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)N(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001370559365 1149809933 /nfs/dbraw/zinc/80/99/33/1149809933.db2.gz CNHUYFXIYHIRKH-JQFCIGGWSA-N 1 3 321.440 2.464 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1)N(C)C ZINC001370717109 1149829265 /nfs/dbraw/zinc/82/92/65/1149829265.db2.gz ZTVWLMVWQXLGDL-BBWFWOEESA-N 1 3 309.498 2.390 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CC[N@H+](CCC1CCCC1)C2)N(C)C ZINC001072851136 790273326 /nfs/dbraw/zinc/27/33/26/790273326.db2.gz LKIDLZDZSPLXRE-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](CCC1CCCC1)C2)N(C)C ZINC001072851136 790273331 /nfs/dbraw/zinc/27/33/31/790273331.db2.gz LKIDLZDZSPLXRE-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO C[NH+](C)CCCN1CCN([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168440622 782349478 /nfs/dbraw/zinc/34/94/78/782349478.db2.gz KJRGIHCWCGHHDH-IBGZPJMESA-N 1 3 319.468 2.252 20 0 DEADHO CC/C=C/CC[NH2+][C@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC001332425271 1149859122 /nfs/dbraw/zinc/85/91/22/1149859122.db2.gz ZDQCJYFHBKACGU-NFAHFFEMSA-N 1 3 304.438 2.135 20 0 DEADHO CC(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249586 782569792 /nfs/dbraw/zinc/56/97/92/782569792.db2.gz LKQWQLKHQTZQMO-DJIMGWMZSA-N 1 3 309.498 2.057 20 0 DEADHO C[C@H]1CN(Cc2c[nH]c3cc(Br)cnc23)C[C@H]1C[NH3+] ZINC001205146425 782882769 /nfs/dbraw/zinc/88/27/69/782882769.db2.gz VUVFLKPMYLILDM-VHSXEESVSA-N 1 3 323.238 2.352 20 0 DEADHO CC[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001106797585 782942895 /nfs/dbraw/zinc/94/28/95/782942895.db2.gz QZDLIYQGXQCKSA-CGTJXYLNSA-N 1 3 323.525 2.449 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[N@H+](CC3CC3)CC(C)(C)C2)C1 ZINC001089486738 783153018 /nfs/dbraw/zinc/15/30/18/783153018.db2.gz CGPRJCIPQHEZIX-WBVHZDCISA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[N@@H+](CC3CC3)CC(C)(C)C2)C1 ZINC001089486738 783153022 /nfs/dbraw/zinc/15/30/22/783153022.db2.gz CGPRJCIPQHEZIX-WBVHZDCISA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCCC1(C[NH2+]C/C=C/Cl)CC1 ZINC001167224923 776780156 /nfs/dbraw/zinc/78/01/56/776780156.db2.gz NTRYPQJKZNWKSO-SMDADKPZSA-N 1 3 313.873 2.099 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC2(C[NH2+]CC3CCC3)CC2)C1 ZINC001167232840 776786367 /nfs/dbraw/zinc/78/63/67/776786367.db2.gz RSYHFYCYEOXAPJ-OAHLLOKOSA-N 1 3 307.482 2.004 20 0 DEADHO CC/C=C\CC[NH2+]C1CC(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001100678312 777688340 /nfs/dbraw/zinc/68/83/40/777688340.db2.gz HBGZATLBAQQHFT-PWCOQUBGSA-N 1 3 307.482 2.169 20 0 DEADHO C[C@@H](C(=O)NCC1CC([NH2+]CCCF)C1)N1CCCCCC1 ZINC001100731878 777973785 /nfs/dbraw/zinc/97/37/85/777973785.db2.gz KALSVYDOGNIACW-FHERZECASA-N 1 3 313.461 2.095 20 0 DEADHO CC[C@H](F)C[NH2+]CC[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001104809333 778191529 /nfs/dbraw/zinc/19/15/29/778191529.db2.gz FABSETFJKQDDTN-OAGGEKHMSA-N 1 3 315.477 2.151 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCC2)C1 ZINC001105067233 778322297 /nfs/dbraw/zinc/32/22/97/778322297.db2.gz SLZWOBUKXBLLNU-NVXWUHKLSA-N 1 3 309.498 2.201 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CCC1CC1)C2 ZINC001073462694 790670847 /nfs/dbraw/zinc/67/08/47/790670847.db2.gz XCHQLSKICRDXKA-QGZVFWFLSA-N 1 3 319.493 2.195 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CCC1CC1)C2 ZINC001073462694 790670852 /nfs/dbraw/zinc/67/08/52/790670852.db2.gz XCHQLSKICRDXKA-QGZVFWFLSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@@H]1C[C@@H](NCCOCCO)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168006559 779275953 /nfs/dbraw/zinc/27/59/53/779275953.db2.gz NPKJOBVQDKPRTQ-ALXJQNPVSA-N 1 3 306.450 2.027 20 0 DEADHO C[C@@H]1C[C@@H](NCCOCCO)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168006559 779275957 /nfs/dbraw/zinc/27/59/57/779275957.db2.gz NPKJOBVQDKPRTQ-ALXJQNPVSA-N 1 3 306.450 2.027 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1Cc1ccsc1 ZINC001087828185 779472078 /nfs/dbraw/zinc/47/20/78/779472078.db2.gz CSLBKBNNFUVCQE-HRCADAONSA-N 1 3 321.490 2.169 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1Cc1ccsc1 ZINC001087828185 779472082 /nfs/dbraw/zinc/47/20/82/779472082.db2.gz CSLBKBNNFUVCQE-HRCADAONSA-N 1 3 321.490 2.169 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC([N@H+](C)CC2CCC2)CC1)C1CC1 ZINC000985467649 779849128 /nfs/dbraw/zinc/84/91/28/779849128.db2.gz LYPZRFOPIKZVTF-QGZVFWFLSA-N 1 3 307.482 2.050 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC([N@@H+](C)CC2CCC2)CC1)C1CC1 ZINC000985467649 779849134 /nfs/dbraw/zinc/84/91/34/779849134.db2.gz LYPZRFOPIKZVTF-QGZVFWFLSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC(N(C)CCF)CC1 ZINC000985469432 779853874 /nfs/dbraw/zinc/85/38/74/779853874.db2.gz DSCGKOSOYMLCOU-MRXNPFEDSA-N 1 3 313.461 2.142 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC(N(C)CCF)CC1 ZINC000985469432 779853879 /nfs/dbraw/zinc/85/38/79/779853879.db2.gz DSCGKOSOYMLCOU-MRXNPFEDSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCCCC[C@@H]([NH2+]CC3CCC3)C2)C1 ZINC001088381722 780051190 /nfs/dbraw/zinc/05/11/90/780051190.db2.gz KYJIKLFKJMKEAV-FUHWJXTLSA-N 1 3 321.509 2.489 20 0 DEADHO CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN(CC)CC)CCC1 ZINC001105568611 780767329 /nfs/dbraw/zinc/76/73/29/780767329.db2.gz UYEGYANEZUXQFH-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CCCN1C[C@@H]2C[NH+]([C@H]3Cc4ccc(OC)cc4C3)C[C@H]2C1 ZINC001168281971 780769939 /nfs/dbraw/zinc/76/99/39/780769939.db2.gz CIPIXRGFQAYNKT-KURKYZTESA-N 1 3 300.446 2.436 20 0 DEADHO COC(=O)C[C@H](NC1CCC([NH+](C)C)CC1)c1ccccn1 ZINC001168305912 780820639 /nfs/dbraw/zinc/82/06/39/780820639.db2.gz UHDNMHLSBYUURW-XUJLQICISA-N 1 3 305.422 2.148 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NCCC1(C[NH2+]CCF)CC1 ZINC001168320600 780837658 /nfs/dbraw/zinc/83/76/58/780837658.db2.gz FRLCHLWOKNCYGT-UHFFFAOYSA-N 1 3 321.440 2.207 20 0 DEADHO c1cncc(O[C@@H]2CC[N@@H+](C3CCN(CC4CC4)CC3)C2)c1 ZINC001168390282 781779665 /nfs/dbraw/zinc/77/96/65/781779665.db2.gz GHUQLTFPIQSPTL-GOSISDBHSA-N 1 3 301.434 2.409 20 0 DEADHO c1cncc(O[C@@H]2CC[N@H+](C3CCN(CC4CC4)CC3)C2)c1 ZINC001168390282 781779672 /nfs/dbraw/zinc/77/96/72/781779672.db2.gz GHUQLTFPIQSPTL-GOSISDBHSA-N 1 3 301.434 2.409 20 0 DEADHO CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001089639035 783307985 /nfs/dbraw/zinc/30/79/85/783307985.db2.gz LNPVCGVLRRCWAH-JKSUJKDBSA-N 1 3 309.498 2.486 20 0 DEADHO CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001089639035 783307996 /nfs/dbraw/zinc/30/79/96/783307996.db2.gz LNPVCGVLRRCWAH-JKSUJKDBSA-N 1 3 309.498 2.486 20 0 DEADHO CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN(C)C2CCC2)C1 ZINC001089821513 783480028 /nfs/dbraw/zinc/48/00/28/783480028.db2.gz UTTRGESENKPQMY-DKIMLUQUSA-N 1 3 319.493 2.050 20 0 DEADHO CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN(C)C2CCC2)C1 ZINC001089821513 783480037 /nfs/dbraw/zinc/48/00/37/783480037.db2.gz UTTRGESENKPQMY-DKIMLUQUSA-N 1 3 319.493 2.050 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCCF)C1 ZINC001085306511 783632785 /nfs/dbraw/zinc/63/27/85/783632785.db2.gz CVFBSGXBQXRSAG-ARFHVFGLSA-N 1 3 313.461 2.095 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCCF)C1 ZINC001085306511 783632790 /nfs/dbraw/zinc/63/27/90/783632790.db2.gz CVFBSGXBQXRSAG-ARFHVFGLSA-N 1 3 313.461 2.095 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC(C)C ZINC001085629498 783905109 /nfs/dbraw/zinc/90/51/09/783905109.db2.gz VYGQEAJOMAYOPR-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC(C)C ZINC001085629498 783905112 /nfs/dbraw/zinc/90/51/12/783905112.db2.gz VYGQEAJOMAYOPR-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CCN1CCC(C)C ZINC001085629498 783905114 /nfs/dbraw/zinc/90/51/14/783905114.db2.gz VYGQEAJOMAYOPR-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CCN1CCC(C)C ZINC001085629498 783905117 /nfs/dbraw/zinc/90/51/17/783905117.db2.gz VYGQEAJOMAYOPR-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CN(C[C@@H]1CCN1CC1CC1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001085639858 783917718 /nfs/dbraw/zinc/91/77/18/783917718.db2.gz XRJMFEFGYRCDNO-ZWKOTPCHSA-N 1 3 319.493 2.336 20 0 DEADHO CN(C[C@@H]1CCN1CC1CC1)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001085639858 783917724 /nfs/dbraw/zinc/91/77/24/783917724.db2.gz XRJMFEFGYRCDNO-ZWKOTPCHSA-N 1 3 319.493 2.336 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC2)C1 ZINC001086084545 784394673 /nfs/dbraw/zinc/39/46/73/784394673.db2.gz VKKRJLRUPIQZRO-IXDOHACOSA-N 1 3 307.482 2.144 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC2)C1 ZINC001086102083 784410986 /nfs/dbraw/zinc/41/09/86/784410986.db2.gz IOVBJUZOSWQTMK-BBWFWOEESA-N 1 3 307.482 2.145 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC2)C1 ZINC001086382451 784633710 /nfs/dbraw/zinc/63/37/10/784633710.db2.gz IOVBJUZOSWQTMK-ULQDDVLXSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)[N@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001074086923 791046485 /nfs/dbraw/zinc/04/64/85/791046485.db2.gz OMIWYSSFNPLZHB-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)[N@@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001074086923 791046496 /nfs/dbraw/zinc/04/64/96/791046496.db2.gz OMIWYSSFNPLZHB-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC000969077304 784715250 /nfs/dbraw/zinc/71/52/50/784715250.db2.gz PFRWXKHDCJDIBY-HZPDHXFCSA-N 1 3 307.482 2.097 20 0 DEADHO [NH3+][C@@H]1CCc2nn(-c3cc(CN4CCCCC4)ccn3)cc2C1 ZINC001168807130 784923789 /nfs/dbraw/zinc/92/37/89/784923789.db2.gz DTCTZKOJWSXMSQ-MRXNPFEDSA-N 1 3 311.433 2.069 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001007741582 784987517 /nfs/dbraw/zinc/98/75/17/784987517.db2.gz BZZSMNDOWYEVPU-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001007741582 784987524 /nfs/dbraw/zinc/98/75/24/784987524.db2.gz BZZSMNDOWYEVPU-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001007747049 784989503 /nfs/dbraw/zinc/98/95/03/784989503.db2.gz PBEINWPRGIMKPQ-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001007747049 784989506 /nfs/dbraw/zinc/98/95/06/784989506.db2.gz PBEINWPRGIMKPQ-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(C3OCCO3)cc1)C2 ZINC001169108899 785058232 /nfs/dbraw/zinc/05/82/32/785058232.db2.gz FEHPEDWXWADQKN-OSYLJGHBSA-N 1 3 302.418 2.447 20 0 DEADHO CCOC(=O)[C@@H]1CC[C@@H]([N@H+](CCCN)C2CCCCC2)CO1 ZINC001169320068 785131766 /nfs/dbraw/zinc/13/17/66/785131766.db2.gz HLGUPWZLDHUVPW-CVEARBPZSA-N 1 3 312.454 2.081 20 0 DEADHO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+](CCCN)C2CCCCC2)CO1 ZINC001169320068 785131772 /nfs/dbraw/zinc/13/17/72/785131772.db2.gz HLGUPWZLDHUVPW-CVEARBPZSA-N 1 3 312.454 2.081 20 0 DEADHO Cc1cccc(CN2CCC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001009506733 785469018 /nfs/dbraw/zinc/46/90/18/785469018.db2.gz FKSRJOBWBXNWHE-ROUUACIJSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1cccc(CN2CCC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001009506733 785469020 /nfs/dbraw/zinc/46/90/20/785469020.db2.gz FKSRJOBWBXNWHE-ROUUACIJSA-N 1 3 315.461 2.027 20 0 DEADHO CN(C)C1(C(=O)NCC[NH2+]CC[C@@H]2CCCC2(F)F)CCC1 ZINC001129358958 785503959 /nfs/dbraw/zinc/50/39/59/785503959.db2.gz ZNWXVNSWCDFWHZ-ZDUSSCGKSA-N 1 3 317.424 2.002 20 0 DEADHO CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CC(C)(C)C)C2 ZINC001108764789 785531848 /nfs/dbraw/zinc/53/18/48/785531848.db2.gz WXHINFATOUZVDH-XHSDSOJGSA-N 1 3 309.498 2.343 20 0 DEADHO CCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(CC)CC)C2 ZINC001108786228 785534134 /nfs/dbraw/zinc/53/41/34/785534134.db2.gz UTRPSTRGBUGVGN-ULQDDVLXSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CCC[C@H](CC[NH2+]CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001129364610 785542482 /nfs/dbraw/zinc/54/24/82/785542482.db2.gz YJPGBQVTGSZKBH-HZPDHXFCSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@H](CCCC[NH2+]CCC1CC1)NC(=O)[C@@H](C1CC1)N(C)C ZINC001171248042 791124409 /nfs/dbraw/zinc/12/44/09/791124409.db2.gz QFWTUKCYHLIZTE-RHSMWYFYSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@@H](F)C[NH2+]CCCC[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001171254307 791149667 /nfs/dbraw/zinc/14/96/67/791149667.db2.gz QPYCGQQSWKEIJR-LSDHHAIUSA-N 1 3 315.477 2.483 20 0 DEADHO Cc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+](C)C)C3)c1 ZINC001109668798 785982959 /nfs/dbraw/zinc/98/29/59/785982959.db2.gz BINIBMLEYBMKNL-SQNIBIBYSA-N 1 3 315.461 2.168 20 0 DEADHO CC(C)C[C@H](C)CN1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001112857237 786259189 /nfs/dbraw/zinc/25/91/89/786259189.db2.gz BMXONOFXHWWZDO-FUHWJXTLSA-N 1 3 321.509 2.155 20 0 DEADHO CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001015392781 787031214 /nfs/dbraw/zinc/03/12/14/787031214.db2.gz QCXJPBJTLFTFDA-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001015392781 787031224 /nfs/dbraw/zinc/03/12/24/787031224.db2.gz QCXJPBJTLFTFDA-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001015393823 787031535 /nfs/dbraw/zinc/03/15/35/787031535.db2.gz WAOSMQIULIZKOE-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001015393823 787031541 /nfs/dbraw/zinc/03/15/41/787031541.db2.gz WAOSMQIULIZKOE-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)[C@H](C(=O)NCC[NH2+][C@H]1CCCc2ccccc21)C1CC1 ZINC001129444684 787212561 /nfs/dbraw/zinc/21/25/61/787212561.db2.gz XACJNRQUQYTZNM-ROUUACIJSA-N 1 3 315.461 2.110 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)N(C)C ZINC001129435302 787213669 /nfs/dbraw/zinc/21/36/69/787213669.db2.gz FCPOLSMANNOMMC-PBHICJAKSA-N 1 3 303.450 2.102 20 0 DEADHO CC[C@H]([NH2+]CCNC(=O)[C@H](C1CC1)N(C)C)c1ccc(F)cc1 ZINC001129442516 787215058 /nfs/dbraw/zinc/21/50/58/787215058.db2.gz BSXRHFFXHSIVOO-IRXDYDNUSA-N 1 3 321.440 2.323 20 0 DEADHO C[C@@H]([NH2+]CCNC(=O)CN(C)C1CCC1)c1ccc(F)cc1 ZINC001129535432 787225070 /nfs/dbraw/zinc/22/50/70/787225070.db2.gz RGRQWIBXYSQQLR-CYBMUJFWSA-N 1 3 307.413 2.077 20 0 DEADHO C[C@H](NCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)c1cccc(F)c1 ZINC001129855526 787251980 /nfs/dbraw/zinc/25/19/80/787251980.db2.gz GWOQGCJLZPSLQC-YOEHRIQHSA-N 1 3 321.440 2.467 20 0 DEADHO C[C@H](NCCNC(=O)CC[C@@H]1CCC[N@H+]1C)c1cccc(F)c1 ZINC001129855526 787251984 /nfs/dbraw/zinc/25/19/84/787251984.db2.gz GWOQGCJLZPSLQC-YOEHRIQHSA-N 1 3 321.440 2.467 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC[NH2+][C@H](C)c1cccc(C)c1 ZINC001130427959 787387818 /nfs/dbraw/zinc/38/78/18/787387818.db2.gz WOALRMDOXCFRTO-OAHLLOKOSA-N 1 3 305.466 2.492 20 0 DEADHO CCc1ccc(CC[NH2+]CCNC(=O)C(C)(C)N(C)CC)cc1 ZINC001130427633 787388051 /nfs/dbraw/zinc/38/80/51/787388051.db2.gz PJHIRFNOYBCVOV-UHFFFAOYSA-N 1 3 319.493 2.228 20 0 DEADHO CCOC(=O)C1=C(Nc2ccc3nc(C)[nH]c3c2)CC[NH2+]C1 ZINC001170516269 787479136 /nfs/dbraw/zinc/47/91/36/787479136.db2.gz SVLYYDFNVZDZAG-UHFFFAOYSA-N 1 3 300.362 2.094 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC2=CCCCC2)C1 ZINC001096538786 787715468 /nfs/dbraw/zinc/71/54/68/787715468.db2.gz OQOJVFWXYQQNNH-MHORFTMASA-N 1 3 317.477 2.160 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC2=CCCCC2)C1 ZINC001096538786 787715473 /nfs/dbraw/zinc/71/54/73/787715473.db2.gz OQOJVFWXYQQNNH-MHORFTMASA-N 1 3 317.477 2.160 20 0 DEADHO C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)CN1Cc1ccccc1 ZINC001132269274 787997572 /nfs/dbraw/zinc/99/75/72/787997572.db2.gz ICLMDDWDYADMBE-SJLPKXTDSA-N 1 3 317.477 2.498 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC2CC2)C1 ZINC001132938816 788232125 /nfs/dbraw/zinc/23/21/25/788232125.db2.gz ZJGWKHHDTAEXHU-GDBMZVCRSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCCCCF ZINC001133134150 788290952 /nfs/dbraw/zinc/29/09/52/788290952.db2.gz AFBAPHFORISUAX-HUUCEWRRSA-N 1 3 324.444 2.166 20 0 DEADHO CCCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C ZINC001133135104 788291113 /nfs/dbraw/zinc/29/11/13/788291113.db2.gz LOCCYDSZJXZZAH-LSDHHAIUSA-N 1 3 306.454 2.217 20 0 DEADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1cc2ccccc2[nH]1 ZINC001137317562 788297607 /nfs/dbraw/zinc/29/76/07/788297607.db2.gz KVJFOLUFJABUER-RBUKOAKNSA-N 1 3 312.461 2.378 20 0 DEADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1cc2ccccc2[nH]1 ZINC001137317562 788297613 /nfs/dbraw/zinc/29/76/13/788297613.db2.gz KVJFOLUFJABUER-RBUKOAKNSA-N 1 3 312.461 2.378 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001000193399 788336560 /nfs/dbraw/zinc/33/65/60/788336560.db2.gz PZGLGPQZKLZGQJ-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)[C@H](C(=O)NCC[NH2+]CCCc1cccc(F)c1)N(C)C ZINC001133419024 788409207 /nfs/dbraw/zinc/40/92/07/788409207.db2.gz JKXMFLFNHBNAIT-QGZVFWFLSA-N 1 3 323.456 2.050 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001133834072 788628845 /nfs/dbraw/zinc/62/88/45/788628845.db2.gz NCPPSNHCDHJQAX-GUYCJALGSA-N 1 3 319.424 2.003 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+]Cc1cccc(C(F)F)c1)N(C)C ZINC001133965870 788696673 /nfs/dbraw/zinc/69/66/73/788696673.db2.gz NMZVLSFUSYIHTE-AWEZNQCLSA-N 1 3 313.392 2.170 20 0 DEADHO C[C@@H](C[C@H](C)[NH2+]Cc1ccns1)NC(=O)C1(N(C)C)CCC1 ZINC001134582887 788987253 /nfs/dbraw/zinc/98/72/53/788987253.db2.gz BDZSGFMQPMMWIZ-STQMWFEESA-N 1 3 324.494 2.000 20 0 DEADHO Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCCCN2C(C)C)cc1 ZINC001134759505 789066121 /nfs/dbraw/zinc/06/61/21/789066121.db2.gz QNZMOMBMWDIRKS-SFHVURJKSA-N 1 3 317.477 2.464 20 0 DEADHO CCOCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)N(C)CC ZINC001134772463 789072592 /nfs/dbraw/zinc/07/25/92/789072592.db2.gz DOECKHJWNUKJRZ-HUUCEWRRSA-N 1 3 315.502 2.016 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccn1 ZINC001134773388 789074963 /nfs/dbraw/zinc/07/49/63/789074963.db2.gz OGCFVDVYWTXAIQ-LSDHHAIUSA-N 1 3 320.481 2.185 20 0 DEADHO CC[NH+](CC)[C@H](C(=O)NCCNCc1cccc(F)c1)C(C)C ZINC001135474691 789352954 /nfs/dbraw/zinc/35/29/54/789352954.db2.gz XMDBYMZFSYQCNP-KRWDZBQOSA-N 1 3 323.456 2.398 20 0 DEADHO CCCCCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCF ZINC001135691133 789450949 /nfs/dbraw/zinc/45/09/49/789450949.db2.gz OYAMYSUBNATYRO-LSDHHAIUSA-N 1 3 303.466 2.341 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCCCOC ZINC001135705319 789459766 /nfs/dbraw/zinc/45/97/66/789459766.db2.gz AEFBQFNSHSHNTM-CVEARBPZSA-N 1 3 315.502 2.018 20 0 DEADHO CC[N@@H+]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[C@@H]1C ZINC001072095249 790050582 /nfs/dbraw/zinc/05/05/82/790050582.db2.gz GVZBHTOIRSKSDB-YOEHRIQHSA-N 1 3 303.450 2.351 20 0 DEADHO CC[N@H+]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[C@@H]1C ZINC001072095249 790050584 /nfs/dbraw/zinc/05/05/84/790050584.db2.gz GVZBHTOIRSKSDB-YOEHRIQHSA-N 1 3 303.450 2.351 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CC2CCCC2)[C@@H]1C ZINC001074877930 791364232 /nfs/dbraw/zinc/36/42/32/791364232.db2.gz SBGPSAUEIJCERQ-ZOBUZTSGSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C)c1ccccc1 ZINC001075108842 791466097 /nfs/dbraw/zinc/46/60/97/791466097.db2.gz RCPXPVFHIFWGIF-BQFCYCMXSA-N 1 3 315.461 2.422 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC3CC3)C[C@@]2(C)C1 ZINC001091666672 791637906 /nfs/dbraw/zinc/63/79/06/791637906.db2.gz DGEKNOAPPSQCGW-AOIWGVFYSA-N 1 3 319.493 2.050 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC3CC3)C[C@@]2(C)C1 ZINC001091666672 791637912 /nfs/dbraw/zinc/63/79/12/791637912.db2.gz DGEKNOAPPSQCGW-AOIWGVFYSA-N 1 3 319.493 2.050 20 0 DEADHO CC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@]2(C)C1 ZINC001091672155 791664157 /nfs/dbraw/zinc/66/41/57/791664157.db2.gz JAJFODLJAJMAEP-QAPCUYQASA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@]2(C)C1 ZINC001091672155 791664162 /nfs/dbraw/zinc/66/41/62/791664162.db2.gz JAJFODLJAJMAEP-QAPCUYQASA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H](NCCNC(=O)CCCC[NH+](C)C)c1cccc(F)c1 ZINC001148364797 791741345 /nfs/dbraw/zinc/74/13/45/791741345.db2.gz BOICXCPEPZOBIA-CQSZACIVSA-N 1 3 309.429 2.324 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+]Cc1ccccc1C1CC1 ZINC001148643249 791780309 /nfs/dbraw/zinc/78/03/09/791780309.db2.gz WKYOBTLAYSAQJV-UHFFFAOYSA-N 1 3 303.450 2.112 20 0 DEADHO CC(C)=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001091738113 791783875 /nfs/dbraw/zinc/78/38/75/791783875.db2.gz QVHZMWKXUPDLAZ-AOIWGVFYSA-N 1 3 319.493 2.073 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001091738113 791783879 /nfs/dbraw/zinc/78/38/79/791783879.db2.gz QVHZMWKXUPDLAZ-AOIWGVFYSA-N 1 3 319.493 2.073 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC001148638780 791787145 /nfs/dbraw/zinc/78/71/45/791787145.db2.gz RIJIUZQPJDCEKP-INIZCTEOSA-N 1 3 323.868 2.375 20 0 DEADHO CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCCN3C)C2)CC1 ZINC001086908371 791846147 /nfs/dbraw/zinc/84/61/47/791846147.db2.gz ZEELEMUSMXDXGG-CVEARBPZSA-N 1 3 307.482 2.194 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C[C@H]1C)CC[NH+](CC1CC1)CC2)N(C)C ZINC001086943392 791857716 /nfs/dbraw/zinc/85/77/16/791857716.db2.gz SQQUMQJLHLDZHF-WBVHZDCISA-N 1 3 321.509 2.440 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092011179 791923306 /nfs/dbraw/zinc/92/33/06/791923306.db2.gz RXNKCHBPQHAWNU-NUJGCVRESA-N 1 3 307.482 2.051 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092011179 791923311 /nfs/dbraw/zinc/92/33/11/791923311.db2.gz RXNKCHBPQHAWNU-NUJGCVRESA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001099165218 792123244 /nfs/dbraw/zinc/12/32/44/792123244.db2.gz KFTPSEKECQILTA-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001099165218 792123251 /nfs/dbraw/zinc/12/32/51/792123251.db2.gz KFTPSEKECQILTA-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)[C@H](C)C1 ZINC001093024987 792204724 /nfs/dbraw/zinc/20/47/24/792204724.db2.gz MBKLLBKUVUHAHI-BRWVUGGUSA-N 1 3 309.498 2.343 20 0 DEADHO CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)[C@H](C)C1 ZINC001093024987 792204733 /nfs/dbraw/zinc/20/47/33/792204733.db2.gz MBKLLBKUVUHAHI-BRWVUGGUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001099496376 792223708 /nfs/dbraw/zinc/22/37/08/792223708.db2.gz ILNZQHVACABHTB-LPHOPBHVSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CC2)C1 ZINC001099496099 792224135 /nfs/dbraw/zinc/22/41/35/792224135.db2.gz AWYYFOVENSNSEC-IEZWGBDMSA-N 1 3 319.493 2.099 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)CCC ZINC001099554424 792240338 /nfs/dbraw/zinc/24/03/38/792240338.db2.gz YNGJXRRFKVMYNR-FJIDUMEYSA-N 1 3 321.509 2.297 20 0 DEADHO CCCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)CCC ZINC001099554424 792240341 /nfs/dbraw/zinc/24/03/41/792240341.db2.gz YNGJXRRFKVMYNR-FJIDUMEYSA-N 1 3 321.509 2.297 20 0 DEADHO [NH3+]CCCCN1CCN([C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171420098 792508442 /nfs/dbraw/zinc/50/84/42/792508442.db2.gz YOPPLXGJMRDTQM-MRXNPFEDSA-N 1 3 305.441 2.040 20 0 DEADHO Cc1ccc(F)c(CNC2CC(CNC(=O)CC[NH+](C)C)C2)c1 ZINC001100637424 792761408 /nfs/dbraw/zinc/76/14/08/792761408.db2.gz RDDMNWPBRYGOCR-UHFFFAOYSA-N 1 3 321.440 2.070 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2CCC2)[C@H](C)C1 ZINC001094241700 792780095 /nfs/dbraw/zinc/78/00/95/792780095.db2.gz XNSOVLAEMGHMHY-NXHRZFHOSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCC1CC([NH2+]Cc2ccccc2)C1 ZINC001100676640 792783031 /nfs/dbraw/zinc/78/30/31/792783031.db2.gz RCHDCMSGISWAMQ-FAEJEUNOSA-N 1 3 315.461 2.155 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC1CC([NH2+]C/C=C\Cl)C1 ZINC001101036579 792978356 /nfs/dbraw/zinc/97/83/56/792978356.db2.gz UGRWOVITTSQJIA-JIASUYTJSA-N 1 3 313.873 2.098 20 0 DEADHO CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N1CCCC1)C2 ZINC001110161925 793043340 /nfs/dbraw/zinc/04/33/40/793043340.db2.gz YSWLDWZPSJNJCX-LTIDMASMSA-N 1 3 307.482 2.238 20 0 DEADHO CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N1CCCC1)C2 ZINC001110161925 793043350 /nfs/dbraw/zinc/04/33/50/793043350.db2.gz YSWLDWZPSJNJCX-LTIDMASMSA-N 1 3 307.482 2.238 20 0 DEADHO CC[N@H+](CCN1CCOCC1)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171639505 793173303 /nfs/dbraw/zinc/17/33/03/793173303.db2.gz MZFWFCIQHJGFAS-UHFFFAOYSA-N 1 3 311.514 2.292 20 0 DEADHO CC[N@@H+](CCN1CCOCC1)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171639505 793173304 /nfs/dbraw/zinc/17/33/04/793173304.db2.gz MZFWFCIQHJGFAS-UHFFFAOYSA-N 1 3 311.514 2.292 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]CC[C@H]1CCCC1(F)F ZINC001171763151 793199212 /nfs/dbraw/zinc/19/92/12/793199212.db2.gz SPKNRDIRXGYESH-CQSZACIVSA-N 1 3 319.440 2.250 20 0 DEADHO CCC(CC)[NH+]1CCC(N[C@H]2CCN(C3CC3)C(=O)C2)CC1 ZINC001172006712 793278802 /nfs/dbraw/zinc/27/88/02/793278802.db2.gz ZRZRWAAHGCAYNA-HNNXBMFYSA-N 1 3 307.482 2.382 20 0 DEADHO CCC(CC)N1CCC([NH2+][C@H]2CCN(C3CC3)C(=O)C2)CC1 ZINC001172006712 793278809 /nfs/dbraw/zinc/27/88/09/793278809.db2.gz ZRZRWAAHGCAYNA-HNNXBMFYSA-N 1 3 307.482 2.382 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC(Oc3ccncn3)CC1)C2 ZINC001172133651 793323014 /nfs/dbraw/zinc/32/30/14/793323014.db2.gz UEHOSORCLMWZIS-ZSHCYNCHSA-N 1 3 316.449 2.335 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC(Oc3ccncn3)CC1)C2 ZINC001172133651 793323025 /nfs/dbraw/zinc/32/30/25/793323025.db2.gz UEHOSORCLMWZIS-ZSHCYNCHSA-N 1 3 316.449 2.335 20 0 DEADHO COc1ccc([C@@H](O)CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172107580 793332970 /nfs/dbraw/zinc/33/29/70/793332970.db2.gz FPDXUZSBRLZJEY-DFGXFYAUSA-N 1 3 304.434 2.334 20 0 DEADHO COc1ccc([C@@H](O)CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172107580 793332979 /nfs/dbraw/zinc/33/29/79/793332979.db2.gz FPDXUZSBRLZJEY-DFGXFYAUSA-N 1 3 304.434 2.334 20 0 DEADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(Cc3ccccn3)CC1)C2 ZINC001172119186 793339533 /nfs/dbraw/zinc/33/95/33/793339533.db2.gz TWKUUPZNEOSVEA-BWTSREIZSA-N 1 3 314.477 2.215 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H](CO)Cc1cccc(F)c1)C2 ZINC001172119433 793339963 /nfs/dbraw/zinc/33/99/63/793339963.db2.gz ZUYCEHBNAVZSJB-XLAORIBOSA-N 1 3 306.425 2.334 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H](CO)Cc1cccc(F)c1)C2 ZINC001172119433 793339972 /nfs/dbraw/zinc/33/99/72/793339972.db2.gz ZUYCEHBNAVZSJB-XLAORIBOSA-N 1 3 306.425 2.334 20 0 DEADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC(CNC(=O)OC(C)(C)C)C1)C2 ZINC001172122063 793340985 /nfs/dbraw/zinc/34/09/85/793340985.db2.gz WKKFNAJZRAABIE-MUJYYYPQSA-N 1 3 323.481 2.458 20 0 DEADHO CN1CCN(Cc2ccccc2C[NH2+][C@H]2COC(C)(C)C2)CC1 ZINC001172272309 793379223 /nfs/dbraw/zinc/37/92/23/793379223.db2.gz XWVWTXZFEMNISS-GOSISDBHSA-N 1 3 317.477 2.091 20 0 DEADHO COCCC[NH+]1CCC(NCCN(C)c2ccccc2)CC1 ZINC001172243738 793384514 /nfs/dbraw/zinc/38/45/14/793384514.db2.gz GJWJBEOKEATJEW-UHFFFAOYSA-N 1 3 305.466 2.213 20 0 DEADHO CCOCC[C@H](C)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001172420852 793417402 /nfs/dbraw/zinc/41/74/02/793417402.db2.gz PQYZWEROENSCMA-YTQUADARSA-N 1 3 324.509 2.482 20 0 DEADHO CCOCC[C@H](C)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001172420852 793417407 /nfs/dbraw/zinc/41/74/07/793417407.db2.gz PQYZWEROENSCMA-YTQUADARSA-N 1 3 324.509 2.482 20 0 DEADHO CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001094922766 793443578 /nfs/dbraw/zinc/44/35/78/793443578.db2.gz KBWZRGHSGMMVIX-XHSDSOJGSA-N 1 3 307.482 2.240 20 0 DEADHO CN(CCC[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172667986 793474732 /nfs/dbraw/zinc/47/47/32/793474732.db2.gz KGLGPRUKYURKAJ-QGZVFWFLSA-N 1 3 303.450 2.061 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@@H](CNC(=O)[C@@H](CC)N(C)C)[C@H](C)C1 ZINC001102087944 793499450 /nfs/dbraw/zinc/49/94/50/793499450.db2.gz CZCBVYJZWAZIHV-APBGNUCKSA-N 1 3 309.498 2.367 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)N(C)C)[C@H](C)C1 ZINC001102087944 793499456 /nfs/dbraw/zinc/49/94/56/793499456.db2.gz CZCBVYJZWAZIHV-APBGNUCKSA-N 1 3 309.498 2.367 20 0 DEADHO CC[NH+](CC)C1CCC(N2CC(N3C[C@@H](C)O[C@H](C)C3)C2)CC1 ZINC001173115464 793582438 /nfs/dbraw/zinc/58/24/38/793582438.db2.gz CZCYIKCOYXAFJP-MRLCAUJQSA-N 1 3 323.525 2.433 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370297 793588775 /nfs/dbraw/zinc/58/87/75/793588775.db2.gz WIOVXDADKUNJKY-YSEKLJNJSA-N 1 3 321.509 2.369 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370297 793588778 /nfs/dbraw/zinc/58/87/78/793588778.db2.gz WIOVXDADKUNJKY-YSEKLJNJSA-N 1 3 321.509 2.369 20 0 DEADHO CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1CN(C)C)C2 ZINC001095062298 793634795 /nfs/dbraw/zinc/63/47/95/793634795.db2.gz HUTNQYBPYQBRPQ-XIRDDKMYSA-N 1 3 315.461 2.351 20 0 DEADHO CCOC(=O)[C@@H]1CC12CCC([N@@H+]1C[C@H]3CCN(C)C[C@H]3C1)CC2 ZINC001173613769 793770265 /nfs/dbraw/zinc/77/02/65/793770265.db2.gz XYKDDZWFOLMYML-ULTATGHMSA-N 1 3 320.477 2.382 20 0 DEADHO CCOC(=O)[C@@H]1CC12CCC([N@H+]1C[C@H]3CCN(C)C[C@H]3C1)CC2 ZINC001173613769 793770273 /nfs/dbraw/zinc/77/02/73/793770273.db2.gz XYKDDZWFOLMYML-ULTATGHMSA-N 1 3 320.477 2.382 20 0 DEADHO CCCN1C[C@H]2C[NH+](C3CCN(CC(F)(F)F)CC3)C[C@@H]2C1 ZINC001173674196 793802016 /nfs/dbraw/zinc/80/20/16/793802016.db2.gz CPTWPGVYEJLMMK-KBPBESRZSA-N 1 3 319.415 2.287 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]Cc1ccc(CF)cc1 ZINC001174682598 794038500 /nfs/dbraw/zinc/03/85/00/794038500.db2.gz JULHFXOGYWLXHD-UHFFFAOYSA-N 1 3 318.396 2.026 20 0 DEADHO CC[C@@H](F)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(CC)CC)C1 ZINC001103550204 794141612 /nfs/dbraw/zinc/14/16/12/794141612.db2.gz DRUCXGGHCFVMFK-BZUAXINKSA-N 1 3 315.477 2.151 20 0 DEADHO CC[C@@H](F)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(CC)CC)C1 ZINC001103550204 794141615 /nfs/dbraw/zinc/14/16/15/794141615.db2.gz DRUCXGGHCFVMFK-BZUAXINKSA-N 1 3 315.477 2.151 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@H+](CC[C@@H](C)F)C[C@H]1C ZINC001103755309 794213587 /nfs/dbraw/zinc/21/35/87/794213587.db2.gz BEYMTYDDBQWVTM-BZUAXINKSA-N 1 3 315.477 2.149 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@@H+](CC[C@@H](C)F)C[C@H]1C ZINC001103755309 794213594 /nfs/dbraw/zinc/21/35/94/794213594.db2.gz BEYMTYDDBQWVTM-BZUAXINKSA-N 1 3 315.477 2.149 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1cccnc1 ZINC001175767230 794284404 /nfs/dbraw/zinc/28/44/04/794284404.db2.gz DDBGHKYSCRDYJO-INIZCTEOSA-N 1 3 320.481 2.188 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]C[C@H](F)CC ZINC001176286410 794390707 /nfs/dbraw/zinc/39/07/07/794390707.db2.gz VJNAWFWVELZCNJ-LSDHHAIUSA-N 1 3 303.466 2.341 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]CCCOCC ZINC001176286085 794390996 /nfs/dbraw/zinc/39/09/96/794390996.db2.gz UBAYTQKQEWAJPS-INIZCTEOSA-N 1 3 315.502 2.019 20 0 DEADHO Cc1[nH+]cn(C)c1Nc1ccc(CCN2CCOCC2)cc1 ZINC001176380076 794408781 /nfs/dbraw/zinc/40/87/81/794408781.db2.gz VCDGCAHVOWYSRY-UHFFFAOYSA-N 1 3 300.406 2.347 20 0 DEADHO CC[C@@H](F)C[NH2+]CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001206274904 794429047 /nfs/dbraw/zinc/42/90/47/794429047.db2.gz NBZCSSXZKYJIAD-GOEBONIOSA-N 1 3 313.461 2.047 20 0 DEADHO Cc1cccc(CCC[NH2+]CCCNC(=O)CN(C)C(C)C)c1 ZINC001176971867 794544040 /nfs/dbraw/zinc/54/40/40/794544040.db2.gz JTUMGQUYRVFMIW-UHFFFAOYSA-N 1 3 319.493 2.364 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CC1=CCCCC1 ZINC001176986973 794549022 /nfs/dbraw/zinc/54/90/22/794549022.db2.gz YLBHYYWGLYBAIT-QGZVFWFLSA-N 1 3 307.482 2.457 20 0 DEADHO CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001112399542 794622721 /nfs/dbraw/zinc/62/27/21/794622721.db2.gz YQTMTGYKFHFRMH-LNLFQRSKSA-N 1 3 321.509 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](C)CC(C)C)C[C@H]21 ZINC001115161620 794693465 /nfs/dbraw/zinc/69/34/65/794693465.db2.gz IVAAMVJFQWWWDI-LISAXSMJSA-N 1 3 309.498 2.057 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)CC(C)C)C[C@H]21 ZINC001115161620 794693468 /nfs/dbraw/zinc/69/34/68/794693468.db2.gz IVAAMVJFQWWWDI-LISAXSMJSA-N 1 3 309.498 2.057 20 0 DEADHO CC(C)C[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(C)C ZINC001115304158 794729353 /nfs/dbraw/zinc/72/93/53/794729353.db2.gz OWZLTOJOHIJOLG-CBZIJGRNSA-N 1 3 309.498 2.055 20 0 DEADHO CC(C)C[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(C)C ZINC001115304158 794729358 /nfs/dbraw/zinc/72/93/58/794729358.db2.gz OWZLTOJOHIJOLG-CBZIJGRNSA-N 1 3 309.498 2.055 20 0 DEADHO C[C@@]1(C[NH3+])CCCN(Cc2cnc(C(F)(F)F)nc2)CC1 ZINC001206311349 794782543 /nfs/dbraw/zinc/78/25/43/794782543.db2.gz MXRBCPQBGVOBAN-CYBMUJFWSA-N 1 3 302.344 2.446 20 0 DEADHO CN(C)[C@@H](C(=O)NCCCCCC[NH2+]CCC1CC1)C1CC1 ZINC001178698609 794981076 /nfs/dbraw/zinc/98/10/76/794981076.db2.gz NUSHHXQJQPNCRP-QGZVFWFLSA-N 1 3 309.498 2.393 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCCCCC[NH2+]C[C@H](C)OC ZINC001178853678 795013513 /nfs/dbraw/zinc/01/35/13/795013513.db2.gz NUYUALBWHHJHQC-HNNXBMFYSA-N 1 3 315.502 2.018 20 0 DEADHO CC[C@H](C(=O)NCCCCCC[NH2+]Cc1ocnc1C)N(C)C ZINC001178816255 795014823 /nfs/dbraw/zinc/01/48/23/795014823.db2.gz ZCLMKHNJHDUAHY-OAHLLOKOSA-N 1 3 324.469 2.089 20 0 DEADHO CC/C=C\CC[NH2+][C@H]1CCN(C(=O)CN2CCC[C@H]2C)[C@H]1C ZINC001179534636 795128130 /nfs/dbraw/zinc/12/81/30/795128130.db2.gz RKXIHYMFPQXBMP-FTOHCMMFSA-N 1 3 307.482 2.406 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCCCCC[NH2+]CC2CCC2)C1 ZINC001179586443 795137762 /nfs/dbraw/zinc/13/77/62/795137762.db2.gz OSUJPAWDKOVZEK-MRXNPFEDSA-N 1 3 309.498 2.395 20 0 DEADHO CC[C@@H](C[NH2+]CCCCCCNC(=O)[C@H](CC)N(C)C)OC ZINC001179609155 795142633 /nfs/dbraw/zinc/14/26/33/795142633.db2.gz KUWBPRPLLSHMEJ-HOTGVXAUSA-N 1 3 315.502 2.018 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CC2CCCCC2)[C@@H]1C ZINC001179744289 795171024 /nfs/dbraw/zinc/17/10/24/795171024.db2.gz JZVTXGCJARTUHJ-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCCCCC[NH2+]C/C=C/Cl ZINC001180158778 795253014 /nfs/dbraw/zinc/25/30/14/795253014.db2.gz QPUQSEGNNZAEKH-VOTSOKGWSA-N 1 3 312.845 2.279 20 0 DEADHO CC(C)N(C)CC(=O)NCCCCCC[NH2+]CC[C@H](C)F ZINC001180369566 795292844 /nfs/dbraw/zinc/29/28/44/795292844.db2.gz METRDDGOGVXVRV-HNNXBMFYSA-N 1 3 303.466 2.341 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001120440123 795459695 /nfs/dbraw/zinc/45/96/95/795459695.db2.gz LTGLXMUCROXFBR-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001120440123 795459699 /nfs/dbraw/zinc/45/96/99/795459699.db2.gz LTGLXMUCROXFBR-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CC2CC2)C1 ZINC001120468171 795466207 /nfs/dbraw/zinc/46/62/07/795466207.db2.gz DHMYJGHLDUSTFM-MSOLQXFVSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CC2CC2)C1 ZINC001120468171 795466211 /nfs/dbraw/zinc/46/62/11/795466211.db2.gz DHMYJGHLDUSTFM-MSOLQXFVSA-N 1 3 321.509 2.440 20 0 DEADHO CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001181754868 795532534 /nfs/dbraw/zinc/53/25/34/795532534.db2.gz GIGJOTVZVUCMTG-UWWQBHOKSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@@]1(C)C[NH2+]CCC1CC1 ZINC001181755477 795533561 /nfs/dbraw/zinc/53/35/61/795533561.db2.gz RQFVFDDQLCDEFP-LSBZLQRGSA-N 1 3 321.509 2.201 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C/C=C\Cl)C1)N(C)C ZINC001181896099 795558084 /nfs/dbraw/zinc/55/80/84/795558084.db2.gz IMHPJOMRKGSMSD-DITYWLEZSA-N 1 3 315.889 2.153 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(C)C)C1 ZINC001181941723 795566143 /nfs/dbraw/zinc/56/61/43/795566143.db2.gz MPEYVGWCHGDUJZ-CRAIPNDOSA-N 1 3 311.514 2.447 20 0 DEADHO CCN(CC)CC(=O)NC1CC2(C1)CC([NH2+]CC1CCC1)C2 ZINC001121935508 795707054 /nfs/dbraw/zinc/70/70/54/795707054.db2.gz QXHCRZQLMMMATJ-UHFFFAOYSA-N 1 3 307.482 2.145 20 0 DEADHO CC[C@@H](C)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001182589275 795711542 /nfs/dbraw/zinc/71/15/42/795711542.db2.gz BIDFTCRDQKMYLN-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@]1(C)CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001182932631 795786177 /nfs/dbraw/zinc/78/61/77/795786177.db2.gz COEJIPYYNIIZHX-BFYDXBDKSA-N 1 3 315.477 2.151 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC[C@@H](C)F)C1 ZINC001182932671 795786432 /nfs/dbraw/zinc/78/64/32/795786432.db2.gz CYIVNPHLKMOGAM-BFYDXBDKSA-N 1 3 315.477 2.151 20 0 DEADHO CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001183268314 795842666 /nfs/dbraw/zinc/84/26/66/795842666.db2.gz SZHIJJINFLAAPS-KGVXHEBISA-N 1 3 307.482 2.264 20 0 DEADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1C[NH2+]CCC1CC1 ZINC001184557451 796083114 /nfs/dbraw/zinc/08/31/14/796083114.db2.gz XQHRWSIVRBPZQO-DOTOQJQBSA-N 1 3 321.509 2.345 20 0 DEADHO CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001186554309 796414941 /nfs/dbraw/zinc/41/49/41/796414941.db2.gz BBEYXTWSXFNOCJ-VGOKWCNXSA-N 1 3 307.482 2.265 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCC([NH2+]CCCF)CC1 ZINC001202974611 796432918 /nfs/dbraw/zinc/43/29/18/796432918.db2.gz ZQAOTBFPJVJSHB-UHFFFAOYSA-N 1 3 315.477 2.439 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](NC/C=C/Cl)C2)CC1 ZINC001186739003 796436897 /nfs/dbraw/zinc/43/68/97/796436897.db2.gz LLVXSKASHHDXMB-NKPGBKMFSA-N 1 3 313.873 2.050 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001187283897 796513462 /nfs/dbraw/zinc/51/34/62/796513462.db2.gz DGGVQKFYCOIWDU-RUJXFNLJSA-N 1 3 315.461 2.232 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001187323072 796517455 /nfs/dbraw/zinc/51/74/55/796517455.db2.gz WYVIQLLDDSIPQG-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@H](NC/C=C\Cl)C1)[NH+]1CCCC1 ZINC001188139606 796631820 /nfs/dbraw/zinc/63/18/20/796631820.db2.gz PWHKHCIGVCSJTI-IORUMNFESA-N 1 3 313.873 2.050 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCC(C)C)C1 ZINC001188140235 796632037 /nfs/dbraw/zinc/63/20/37/796632037.db2.gz ZZNRUPSTTUMIAQ-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO O=C(CCC[NH+]1CCCCC1)NCCNCc1ccsc1 ZINC001151362632 797037339 /nfs/dbraw/zinc/03/73/39/797037339.db2.gz YUEKEQAUFWXAKS-UHFFFAOYSA-N 1 3 309.479 2.220 20 0 DEADHO CC(C)N(C)CC(=O)NCC[NH2+]C/C=C\c1ccc(Cl)cc1 ZINC001152426462 797186379 /nfs/dbraw/zinc/18/63/79/797186379.db2.gz IYRONRMNCFXHTF-PLNGDYQASA-N 1 3 323.868 2.399 20 0 DEADHO Cc1cc(Cl)ccc1C[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152439396 797187309 /nfs/dbraw/zinc/18/73/09/797187309.db2.gz KHTDIAKSOLYELF-UHFFFAOYSA-N 1 3 311.857 2.194 20 0 DEADHO Cc1ccc(CN(C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1F ZINC001192171856 797331796 /nfs/dbraw/zinc/33/17/96/797331796.db2.gz XDZAHZSZQRXEQS-INIZCTEOSA-N 1 3 321.440 2.119 20 0 DEADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1scc2c1CCCC2 ZINC001153632177 797367385 /nfs/dbraw/zinc/36/73/85/797367385.db2.gz AKCTXRSPRUFLFO-UHFFFAOYSA-N 1 3 322.478 2.304 20 0 DEADHO CN(CC[NH2+]C1CCN(CC2CC2)CC1)C(=O)OC(C)(C)C ZINC000158629090 797532525 /nfs/dbraw/zinc/53/25/25/797532525.db2.gz LMKXRDSJTUIZBS-UHFFFAOYSA-N 1 3 311.470 2.317 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)CC2CCCCC2)C1 ZINC001193641640 797599432 /nfs/dbraw/zinc/59/94/32/797599432.db2.gz IIEBJFPHUWOJRO-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001193641640 797599435 /nfs/dbraw/zinc/59/94/35/797599435.db2.gz IIEBJFPHUWOJRO-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCN(Cc1cccc(F)c1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904213 797636103 /nfs/dbraw/zinc/63/61/03/797636103.db2.gz PRAOGJSVHAOOFO-OAHLLOKOSA-N 1 3 323.456 2.494 20 0 DEADHO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1cc2[nH]ccc2c(C)n1 ZINC001155231145 797713432 /nfs/dbraw/zinc/71/34/32/797713432.db2.gz OFJKZLPZNBTKDA-OAHLLOKOSA-N 1 3 318.421 2.414 20 0 DEADHO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1nc(C)cc2[nH]ccc21 ZINC001155230753 797713810 /nfs/dbraw/zinc/71/38/10/797713810.db2.gz MAEINUVCOBYCPM-HNNXBMFYSA-N 1 3 318.421 2.414 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC001196010776 797993568 /nfs/dbraw/zinc/99/35/68/797993568.db2.gz TYBAROWAUXEEBO-INIZCTEOSA-N 1 3 313.461 2.001 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC001196010776 797993572 /nfs/dbraw/zinc/99/35/72/797993572.db2.gz TYBAROWAUXEEBO-INIZCTEOSA-N 1 3 313.461 2.001 20 0 DEADHO CC(C)[N@H+](C)[C@@H]1CCN(c2cc(Cl)nc3c2CCNC3)C1 ZINC001157020440 798128814 /nfs/dbraw/zinc/12/88/14/798128814.db2.gz JBBDCLHVZNMGMY-GFCCVEGCSA-N 1 3 308.857 2.300 20 0 DEADHO CC(C)[N@@H+](C)[C@@H]1CCN(c2cc(Cl)nc3c2CCNC3)C1 ZINC001157020440 798128819 /nfs/dbraw/zinc/12/88/19/798128819.db2.gz JBBDCLHVZNMGMY-GFCCVEGCSA-N 1 3 308.857 2.300 20 0 DEADHO O=C([C@@H]1CCCC[NH2+]C1)N1CCN(CC2CCCCC2)CC1 ZINC001157579366 798235228 /nfs/dbraw/zinc/23/52/28/798235228.db2.gz MXTHMHFZLCNNOA-QGZVFWFLSA-N 1 3 307.482 2.101 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NCC[NH2+]CC1CCCC1 ZINC001152384643 798265885 /nfs/dbraw/zinc/26/58/85/798265885.db2.gz VOMJKDFZWDVFKF-UHFFFAOYSA-N 1 3 303.450 2.258 20 0 DEADHO C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@H]1CCC[C@@H](c2ccccc2)N1 ZINC001157842863 798291058 /nfs/dbraw/zinc/29/10/58/798291058.db2.gz NFWVBFJETPUKNG-LAVFITLUSA-N 1 3 315.461 2.456 20 0 DEADHO C[C@@H](F)CCN1CCCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001198244393 798302688 /nfs/dbraw/zinc/30/26/88/798302688.db2.gz YERAZYPCTQVJCK-MRXNPFEDSA-N 1 3 313.461 2.145 20 0 DEADHO COc1cccc(N(c2cc(N)c(C)cn2)C2CC[NH2+]CC2)n1 ZINC001158061208 798335672 /nfs/dbraw/zinc/33/56/72/798335672.db2.gz YUHMVDCYINAKLF-UHFFFAOYSA-N 1 3 313.405 2.266 20 0 DEADHO C=Cc1ccc(N(C2CC[NH2+]CC2)C2CCN(C)CC2)nc1 ZINC001158581863 798433399 /nfs/dbraw/zinc/43/33/99/798433399.db2.gz ZLCAYIMBGGHVAS-UHFFFAOYSA-N 1 3 300.450 2.377 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([NH2+]CCc2cccs2)CC1 ZINC001203925921 798442110 /nfs/dbraw/zinc/44/21/10/798442110.db2.gz ZQLFQKWSUGIIQA-UHFFFAOYSA-N 1 3 323.506 2.211 20 0 DEADHO CC(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001159580810 798583564 /nfs/dbraw/zinc/58/35/64/798583564.db2.gz ARBRPEDQVKVTGR-KRWDZBQOSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001159580810 798583566 /nfs/dbraw/zinc/58/35/66/798583566.db2.gz ARBRPEDQVKVTGR-KRWDZBQOSA-N 1 3 307.482 2.265 20 0 DEADHO CN(C)[C@@H](C(=O)NCCC[NH2+][C@@H]1CCc2ccccc21)C1CC1 ZINC001159933030 798628047 /nfs/dbraw/zinc/62/80/47/798628047.db2.gz YDKSXPVGAOOVLC-QZTJIDSGSA-N 1 3 315.461 2.110 20 0 DEADHO Cc1cc(C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C)cs1 ZINC001160425950 798686710 /nfs/dbraw/zinc/68/67/10/798686710.db2.gz AUVQCNCKRZOOLL-HNNXBMFYSA-N 1 3 311.495 2.239 20 0 DEADHO CC[C@H](C(=O)NCCC1=CC[N@H+](CC[C@@H](C)F)CC1)N(C)C ZINC001160479064 798694342 /nfs/dbraw/zinc/69/43/42/798694342.db2.gz MAUOAONCQBKFIG-GDBMZVCRSA-N 1 3 313.461 2.213 20 0 DEADHO CC[C@H](C(=O)NCCC1=CC[N@@H+](CC[C@@H](C)F)CC1)N(C)C ZINC001160479064 798694344 /nfs/dbraw/zinc/69/43/44/798694344.db2.gz MAUOAONCQBKFIG-GDBMZVCRSA-N 1 3 313.461 2.213 20 0 DEADHO CC/C=C/CC[NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001201053091 798711031 /nfs/dbraw/zinc/71/10/31/798711031.db2.gz KKKFKQVLYKTSKS-RTRPANQVSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1nccs1 ZINC001160688299 798722981 /nfs/dbraw/zinc/72/29/81/798722981.db2.gz MSFCLVZUKSLWJW-UONOGXRCSA-N 1 3 324.494 2.302 20 0 DEADHO CCc1cccc(C[NH2+]CCCNC(=O)[C@@H](CC)N(C)C)c1 ZINC001160883454 798755207 /nfs/dbraw/zinc/75/52/07/798755207.db2.gz NIZZLQCRXHKHSP-QGZVFWFLSA-N 1 3 305.466 2.185 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+]CCCc1ccccc1)N(C)C ZINC001160889541 798755858 /nfs/dbraw/zinc/75/58/58/798755858.db2.gz MMUZGFUQBOKCIE-QGZVFWFLSA-N 1 3 305.466 2.055 20 0 DEADHO CN(C(=O)[C@H]1CCC[C@@H](c2ccccc2)N1)C1(C)CC[NH2+]CC1 ZINC001161074260 798791833 /nfs/dbraw/zinc/79/18/33/798791833.db2.gz XHUNHASPKLQZSY-DLBZAZTESA-N 1 3 315.461 2.470 20 0 DEADHO CN(C(=O)[C@H](N)C12CC3CC(CC(C3)C1)C2)C1(C)CC[NH2+]CC1 ZINC001161072835 798791862 /nfs/dbraw/zinc/79/18/62/798791862.db2.gz HFJMUKDJTTVYHQ-DZPQGLOJSA-N 1 3 319.493 2.131 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161208438 798810590 /nfs/dbraw/zinc/81/05/90/798810590.db2.gz RVGJEQRRMPDFAG-QGZVFWFLSA-N 1 3 307.482 2.099 20 0 DEADHO Cc1cnc(N(c2ccncn2)[C@H]2CC[C@H]([NH3+])CC2)c(CN)c1 ZINC001161365598 798836990 /nfs/dbraw/zinc/83/69/90/798836990.db2.gz JXITYRKFKBFZDT-SHTZXODSSA-N 1 3 312.421 2.047 20 0 DEADHO C[C@]1(C[NH3+])CCCN(C(=O)[C@@H]2CCC[C@H](c3ccccc3)N2)C1 ZINC001161487759 798869515 /nfs/dbraw/zinc/86/95/15/798869515.db2.gz IJMBSHOCLPTJDH-ZIFCJYIRSA-N 1 3 315.461 2.457 20 0 DEADHO CCC(CC)C[NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001202495269 798979332 /nfs/dbraw/zinc/97/93/32/798979332.db2.gz BPCZGGJZDXLOSL-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CCC[NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001202495535 798980864 /nfs/dbraw/zinc/98/08/64/798980864.db2.gz GASDHMVVPMMIBT-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](CN1CC[NH2+]CC1)Nc1ccc(F)c(CN2CCCC2)c1 ZINC001162103314 799012046 /nfs/dbraw/zinc/01/20/46/799012046.db2.gz XWTDYRCRPZLCDC-HNNXBMFYSA-N 1 3 320.456 2.127 20 0 DEADHO CC(C)CC[NH2+]C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001202527003 799108111 /nfs/dbraw/zinc/10/81/11/799108111.db2.gz UWFIXZWTSMDRLN-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CCN(CC)CCNC(=[NH2+])Nc1nncc2ccc(F)cc21 ZINC001163125354 799252023 /nfs/dbraw/zinc/25/20/23/799252023.db2.gz ATUCDEASQJTTAM-UHFFFAOYSA-N 1 3 304.373 2.047 20 0 DEADHO CCN(CC)CCNC(=[NH2+])Nc1ccc(COC2CCC2)cn1 ZINC001163129850 799253996 /nfs/dbraw/zinc/25/39/96/799253996.db2.gz RWZLJSMLWAKKSA-UHFFFAOYSA-N 1 3 319.453 2.429 20 0 DEADHO C[C@]1(C[NH3+])CCCN(c2cc(Cl)nc3c2CCNC3)CC1 ZINC001164247759 799553215 /nfs/dbraw/zinc/55/32/15/799553215.db2.gz LGHNMFOQYZVLOH-INIZCTEOSA-N 1 3 308.857 2.336 20 0 DEADHO Cc1nc(N2CCCC2)cc(N2CCCCC23CC[NH2+]CC3)n1 ZINC001165336869 799707966 /nfs/dbraw/zinc/70/79/66/799707966.db2.gz CGQOJVVCAXOKHG-UHFFFAOYSA-N 1 3 315.465 2.498 20 0 DEADHO CN(C)C1(C(=O)NCCC2(C[NH2+]CC3CCC3)CC2)CCC1 ZINC001165465014 799735175 /nfs/dbraw/zinc/73/51/75/799735175.db2.gz PZRCVEMFZAIQBS-UHFFFAOYSA-N 1 3 307.482 2.147 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC1(C[NH2+]C/C=C\Cl)CC1)N(C)C ZINC001165627686 799752082 /nfs/dbraw/zinc/75/20/82/799752082.db2.gz MZOZOJIKFJXWFE-UQYHUFHVSA-N 1 3 315.889 2.201 20 0 DEADHO C[NH+](C)CCC(=O)NCCCNCc1cc(F)ccc1Cl ZINC001165794374 799774683 /nfs/dbraw/zinc/77/46/83/799774683.db2.gz UALVKLKUYSRGQT-UHFFFAOYSA-N 1 3 315.820 2.027 20 0 DEADHO C[NH+](C)CCC(=O)NCCCNCc1cc(Cl)ccc1F ZINC001165794576 799774874 /nfs/dbraw/zinc/77/48/74/799774874.db2.gz WYXAMCNWNCQYTF-UHFFFAOYSA-N 1 3 315.820 2.027 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1)N(C)C ZINC001110994053 799816638 /nfs/dbraw/zinc/81/66/38/799816638.db2.gz MBTJANJDNHPRBC-ZJPYXAASSA-N 1 3 321.509 2.484 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1)N(C)C ZINC001110994053 799816643 /nfs/dbraw/zinc/81/66/43/799816643.db2.gz MBTJANJDNHPRBC-ZJPYXAASSA-N 1 3 321.509 2.484 20 0 DEADHO CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001110994776 799817371 /nfs/dbraw/zinc/81/73/71/799817371.db2.gz GHTJWPJMOWQSDN-WCXIOVBPSA-N 1 3 309.498 2.484 20 0 DEADHO CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001110994776 799817374 /nfs/dbraw/zinc/81/73/74/799817374.db2.gz GHTJWPJMOWQSDN-WCXIOVBPSA-N 1 3 309.498 2.484 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC1)N(CC)CC ZINC001111018394 799833123 /nfs/dbraw/zinc/83/31/23/799833123.db2.gz SRBSQKQEAFZJTQ-VQHPVUNQSA-N 1 3 307.482 2.238 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC1)N(CC)CC ZINC001111018394 799833128 /nfs/dbraw/zinc/83/31/28/799833128.db2.gz SRBSQKQEAFZJTQ-VQHPVUNQSA-N 1 3 307.482 2.238 20 0 DEADHO CC(C)N1CCN(CCC[NH2+][C@H](C)Cc2cccnc2)CC1 ZINC000934231639 800297374 /nfs/dbraw/zinc/29/73/74/800297374.db2.gz WNJKGECBWISTPJ-QGZVFWFLSA-N 1 3 304.482 2.018 20 0 DEADHO COC(=O)c1cc2cc(CN3CCC[C@@H]([NH3+])CC3)ccc2[nH]1 ZINC001205124441 800300560 /nfs/dbraw/zinc/30/05/60/800300560.db2.gz RMRUWFXFWBCZMR-CQSZACIVSA-N 1 3 301.390 2.268 20 0 DEADHO C[C@H]1CCN(Cc2cnc(C(F)(F)F)nc2)CC[C@@H]1C[NH3+] ZINC001205627361 800390725 /nfs/dbraw/zinc/39/07/25/800390725.db2.gz OKTZHGVQYLJYTK-CMPLNLGQSA-N 1 3 302.344 2.302 20 0 DEADHO CCOC(=O)c1ccnc(CN2CC[C@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205636474 800390890 /nfs/dbraw/zinc/39/08/90/800390890.db2.gz CWTCEAWIEIYRMN-DZGCQCFKSA-N 1 3 305.422 2.065 20 0 DEADHO CC[C@@H](C)C[NH2+]CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001206275726 800501532 /nfs/dbraw/zinc/50/15/32/800501532.db2.gz ZMIMGDKHYVFGQV-CVEARBPZSA-N 1 3 309.498 2.203 20 0 DEADHO CC[NH+]1C[C@H]2CN(CCC3CN(C(=O)OC(C)(C)C)C3)C[C@@H]2C1 ZINC001207772107 800829337 /nfs/dbraw/zinc/82/93/37/800829337.db2.gz ANWZJWQWSQVUDN-HOTGVXAUSA-N 1 3 323.481 2.127 20 0 DEADHO C[C@H](Cc1ccc2c(c1)OCO2)CN1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001208226932 800933810 /nfs/dbraw/zinc/93/38/10/800933810.db2.gz RJJSKBQQKNJKDV-IDHHARJASA-N 1 3 316.445 2.477 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1)C1CC1 ZINC001208333908 800957665 /nfs/dbraw/zinc/95/76/65/800957665.db2.gz AGNZYGJGGXRVRG-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1cc(CN2C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C2)cs1 ZINC001208447319 800984620 /nfs/dbraw/zinc/98/46/20/800984620.db2.gz DGCMBRBEVQKDGB-CZUORRHYSA-N 1 3 323.506 2.335 20 0 DEADHO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CC1CC[NH+](CC)CC1 ZINC001208601978 801024438 /nfs/dbraw/zinc/02/44/38/801024438.db2.gz VLLSQAMPTUGZRV-ULQDDVLXSA-N 1 3 308.466 2.382 20 0 DEADHO COC(=O)[C@H]1CCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208932054 801097860 /nfs/dbraw/zinc/09/78/60/801097860.db2.gz NRLNWPODAIQCRZ-ROUUACIJSA-N 1 3 316.445 2.394 20 0 DEADHO COC(=O)[C@H]1CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208932054 801097864 /nfs/dbraw/zinc/09/78/64/801097864.db2.gz NRLNWPODAIQCRZ-ROUUACIJSA-N 1 3 316.445 2.394 20 0 DEADHO COC(=O)[C@H]1CCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208941741 801098197 /nfs/dbraw/zinc/09/81/97/801098197.db2.gz MYVXPOWYDJNOHQ-SJORKVTESA-N 1 3 302.418 2.003 20 0 DEADHO COC(=O)[C@H]1CCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208941741 801098199 /nfs/dbraw/zinc/09/81/99/801098199.db2.gz MYVXPOWYDJNOHQ-SJORKVTESA-N 1 3 302.418 2.003 20 0 DEADHO c1ccc(C[NH+]2C[C@@H]3CN(CCCC4OCCO4)C[C@H]3C2)cc1 ZINC001209313438 801168786 /nfs/dbraw/zinc/16/87/86/801168786.db2.gz TZFVVXRTIAHULF-ROUUACIJSA-N 1 3 316.445 2.203 20 0 DEADHO C[N@@H+]1CC[C@]2(CCN(CCCCNC(=O)OC(C)(C)C)C2)C1 ZINC001209366946 801176446 /nfs/dbraw/zinc/17/64/46/801176446.db2.gz GMNLCUVQWAKALZ-KRWDZBQOSA-N 1 3 311.470 2.319 20 0 DEADHO C[N@H+]1CC[C@]2(CCN(CCCCNC(=O)OC(C)(C)C)C2)C1 ZINC001209366946 801176448 /nfs/dbraw/zinc/17/64/48/801176448.db2.gz GMNLCUVQWAKALZ-KRWDZBQOSA-N 1 3 311.470 2.319 20 0 DEADHO CC/C=C\CC[NH+]1CCC(NC(=O)CN2CCC[C@H]2C)CC1 ZINC001229184831 801238647 /nfs/dbraw/zinc/23/86/47/801238647.db2.gz CSIRQXDYFRDKTH-YIEVGGLXSA-N 1 3 307.482 2.408 20 0 DEADHO CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001209631251 801239313 /nfs/dbraw/zinc/23/93/13/801239313.db2.gz DTHVVFVKFHFMBS-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO Nc1cc[nH+]cc1CN1CCC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001209725999 801265570 /nfs/dbraw/zinc/26/55/70/801265570.db2.gz NSRVZXMSJNUGHD-FUHWJXTLSA-N 1 3 317.433 2.044 20 0 DEADHO CCN(CC)CC(=O)NC1CC[NH+](CCc2cccs2)CC1 ZINC001229685451 801305227 /nfs/dbraw/zinc/30/52/27/801305227.db2.gz BPJNUMFRKVUFOL-UHFFFAOYSA-N 1 3 323.506 2.213 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CC2CC2)C1 ZINC001210183663 801348714 /nfs/dbraw/zinc/34/87/14/801348714.db2.gz QLDWDZKAHWLXIR-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO O[C@@H]1CNCC[N@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001210398277 801391660 /nfs/dbraw/zinc/39/16/60/801391660.db2.gz DIBVPVXVIAOAGT-GOSISDBHSA-N 1 3 300.377 2.259 20 0 DEADHO O[C@@H]1CNCC[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001210398277 801391667 /nfs/dbraw/zinc/39/16/67/801391667.db2.gz DIBVPVXVIAOAGT-GOSISDBHSA-N 1 3 300.377 2.259 20 0 DEADHO CC(C)N(C)CC(=O)NC1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001230366663 801392636 /nfs/dbraw/zinc/39/26/36/801392636.db2.gz BIDPPEASDMLSCE-UHFFFAOYSA-N 1 3 321.509 2.488 20 0 DEADHO CCN(CC)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CCF)CC1 ZINC001230610902 801435569 /nfs/dbraw/zinc/43/55/69/801435569.db2.gz JNNPHECFEHXLAX-INIZCTEOSA-N 1 3 313.461 2.001 20 0 DEADHO CCN(CC)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CCF)CC1 ZINC001230610902 801435571 /nfs/dbraw/zinc/43/55/71/801435571.db2.gz JNNPHECFEHXLAX-INIZCTEOSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@@H]2CCCCN2C)C1 ZINC001211319805 801547170 /nfs/dbraw/zinc/54/71/70/801547170.db2.gz FHTNOHGFDQSCMW-ZACQAIPSSA-N 1 3 324.513 2.138 20 0 DEADHO CN(C)Cc1cc(F)cc(CN2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1 ZINC001232150517 801800659 /nfs/dbraw/zinc/80/06/59/801800659.db2.gz YCONBYJEVVHNHA-SJLPKXTDSA-N 1 3 305.441 2.271 20 0 DEADHO C[C@@H](C[NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1)CN(C)C ZINC000401907896 801858234 /nfs/dbraw/zinc/85/82/34/801858234.db2.gz IICNJFJUSAEWPN-DOTOQJQBSA-N 1 3 319.449 2.185 20 0 DEADHO C[C@@H](CN[C@@H]1CCN(C(=O)OCc2ccccc2)C1)C[NH+](C)C ZINC000401907896 801858240 /nfs/dbraw/zinc/85/82/40/801858240.db2.gz IICNJFJUSAEWPN-DOTOQJQBSA-N 1 3 319.449 2.185 20 0 DEADHO Cc1nc(CN2CCC(COCC[NH+]3CCCC3)CC2)c[nH]1 ZINC001232458687 801886529 /nfs/dbraw/zinc/88/65/29/801886529.db2.gz QMVONLVERADNKV-UHFFFAOYSA-N 1 3 306.454 2.043 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001216499696 801980583 /nfs/dbraw/zinc/98/05/83/801980583.db2.gz QFCLMZKAYATZAD-NVXWUHKLSA-N 1 3 307.482 2.265 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC001216511785 801981606 /nfs/dbraw/zinc/98/16/06/801981606.db2.gz ZXQOZWHPIGXHRF-BRWVUGGUSA-N 1 3 311.514 2.447 20 0 DEADHO O=C(Nc1cc2ccccc2s1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218580522 802208265 /nfs/dbraw/zinc/20/82/65/802208265.db2.gz GMVJAQXPZAXDIO-MLGOLLRUSA-N 1 3 301.415 2.039 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1nsc2ncccc12 ZINC001218652162 802222031 /nfs/dbraw/zinc/22/20/31/802222031.db2.gz UAXBEAPIRCHHME-LBPRGKRZSA-N 1 3 321.450 2.125 20 0 DEADHO CCN(CC)c1ccc(NC(=O)[C@@H](N)CCCC[NH3+])c(C)c1 ZINC001218923768 802260641 /nfs/dbraw/zinc/26/06/41/802260641.db2.gz UQMHYDLEWKTMHB-HNNXBMFYSA-N 1 3 306.454 2.236 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc(F)c2cnccc12 ZINC001219199735 802297144 /nfs/dbraw/zinc/29/71/44/802297144.db2.gz OVBCGLLMDRKVIS-HNNXBMFYSA-N 1 3 318.396 2.372 20 0 DEADHO O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219560565 802344840 /nfs/dbraw/zinc/34/48/40/802344840.db2.gz ZHZBPRUNEAPOGO-SJORKVTESA-N 1 3 313.445 2.054 20 0 DEADHO O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219560565 802344847 /nfs/dbraw/zinc/34/48/47/802344847.db2.gz ZHZBPRUNEAPOGO-SJORKVTESA-N 1 3 313.445 2.054 20 0 DEADHO O=C(NC[C@]1(F)CCC[NH2+]C1)[C@H]1CCC[C@@H](c2ccccc2)N1 ZINC001219771038 802375661 /nfs/dbraw/zinc/37/56/61/802375661.db2.gz HJFCQJRMOQBXFY-JZXOWHBKSA-N 1 3 319.424 2.078 20 0 DEADHO N[C@@H](CC(F)F)C(=O)NCC1CC[NH+](C2CCCCC2)CC1 ZINC001220260874 802434162 /nfs/dbraw/zinc/43/41/62/802434162.db2.gz IXKINLJGJUBAOO-AWEZNQCLSA-N 1 3 317.424 2.130 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)[C@@H](N)CCCC[NH+](C)C)c2ccccc21 ZINC001220333279 802445105 /nfs/dbraw/zinc/44/51/05/802445105.db2.gz SULZHLBFUVBLDD-RRQGHBQHSA-N 1 3 303.450 2.410 20 0 DEADHO N[C@@H](CCCC[NH3+])C(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1 ZINC001220723449 802489348 /nfs/dbraw/zinc/48/93/48/802489348.db2.gz AEWZWENNNXYNMO-RZFLPCETSA-N 1 3 315.461 2.141 20 0 DEADHO CCCCC[C@H]([NH2+]C)C(=O)NCCc1c[nH]c2ccncc12 ZINC001220868126 802507028 /nfs/dbraw/zinc/50/70/28/802507028.db2.gz BXAMDJGBAHLNFE-INIZCTEOSA-N 1 3 302.422 2.390 20 0 DEADHO CCOC(=O)c1[nH]c(C)c(CN2CCC(F)(C[NH3+])CC2)c1C ZINC001222532113 802702140 /nfs/dbraw/zinc/70/21/40/802702140.db2.gz KIAHNKMITYKHKG-UHFFFAOYSA-N 1 3 311.401 2.071 20 0 DEADHO CC(C)=CC[NH+]1CCC(CNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001224535132 802879317 /nfs/dbraw/zinc/87/93/17/802879317.db2.gz CWICANLUYPRADQ-INIZCTEOSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CCCC2CCC2)C1)N(C)C ZINC001369987699 1149339043 /nfs/dbraw/zinc/33/90/43/1149339043.db2.gz SECRLEKOJPNOHJ-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCCC2CCC2)C1)N(C)C ZINC001369987699 1149339054 /nfs/dbraw/zinc/33/90/54/1149339054.db2.gz SECRLEKOJPNOHJ-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](CC[NH2+]C[C@@H](O)c1ccccc1Br)N(C)C ZINC001335422336 1150412246 /nfs/dbraw/zinc/41/22/46/1150412246.db2.gz QORZPUHRYSHCBO-SMDDNHRTSA-N 1 3 315.255 2.412 20 0 DEADHO CCC[NH+]1CC2(C1)CCN(C(=O)CN(C)CC(C)(C)C)CC2 ZINC001419639069 1168727686 /nfs/dbraw/zinc/72/76/86/1168727686.db2.gz SJJFLDUPXBRYBA-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO C[C@@H](c1ccc(F)cc1)N(C)CCNC(=O)CCC[NH+](C)C ZINC001420295600 1169330834 /nfs/dbraw/zinc/33/08/34/1169330834.db2.gz URLYLYPTJPGFQY-AWEZNQCLSA-N 1 3 309.429 2.277 20 0 DEADHO CC(C)[C@@H]1CCN(CN2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)C1=O ZINC001345108128 1150865686 /nfs/dbraw/zinc/86/56/86/1150865686.db2.gz HLDPAQCFGDDPLQ-QAETUUGQSA-N 1 3 307.482 2.111 20 0 DEADHO CC[C@H](C(=O)N(C)C[C@H]1CCN1CC1CCC1)[NH+](CC)CC ZINC001368395234 1148431324 /nfs/dbraw/zinc/43/13/24/1148431324.db2.gz BMOFASIWTXNYPY-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001368939469 1148793371 /nfs/dbraw/zinc/79/33/71/1148793371.db2.gz HXKFNCANUKBWDM-SJLPKXTDSA-N 1 3 317.477 2.496 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001368939469 1148793377 /nfs/dbraw/zinc/79/33/77/1148793377.db2.gz HXKFNCANUKBWDM-SJLPKXTDSA-N 1 3 317.477 2.496 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001368939474 1148794341 /nfs/dbraw/zinc/79/43/41/1148794341.db2.gz HXKFNCANUKBWDM-WMZOPIPTSA-N 1 3 317.477 2.496 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001368939474 1148794345 /nfs/dbraw/zinc/79/43/45/1148794345.db2.gz HXKFNCANUKBWDM-WMZOPIPTSA-N 1 3 317.477 2.496 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001368502563 1148469268 /nfs/dbraw/zinc/46/92/68/1148469268.db2.gz WCJOVLMGSXQCTN-NXHRZFHOSA-N 1 3 321.509 2.393 20 0 DEADHO CC[C@H]([NH2+][C@H](C)CCCC[NH3+])c1ccc(-c2nnn[n-]2)cc1 ZINC001604052397 1070187742 /nfs/dbraw/zinc/18/77/42/1070187742.db2.gz BCSRWMUVPSWJMN-DOMZBBRYSA-N 1 3 302.426 2.425 20 0 DEADHO CC[C@H]([NH2+][C@H](C)CCCC[NH3+])c1ccc(-c2nn[n-]n2)cc1 ZINC001604052397 1070187747 /nfs/dbraw/zinc/18/77/47/1070187747.db2.gz BCSRWMUVPSWJMN-DOMZBBRYSA-N 1 3 302.426 2.425 20 0 DEADHO CC[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(-c2nnn[n-]2)cc1 ZINC001604056889 1070191631 /nfs/dbraw/zinc/19/16/31/1070191631.db2.gz XMHHZHBNMPGQKJ-CABCVRRESA-N 1 3 312.421 2.050 20 0 DEADHO CC[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(-c2nn[n-]n2)cc1 ZINC001604056889 1070191636 /nfs/dbraw/zinc/19/16/36/1070191636.db2.gz XMHHZHBNMPGQKJ-CABCVRRESA-N 1 3 312.421 2.050 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[N@H+](C)Cc1ccc(C)cc1 ZINC001368996362 1148822675 /nfs/dbraw/zinc/82/26/75/1148822675.db2.gz PNIGVPWMFMBDDB-INIZCTEOSA-N 1 3 305.466 2.273 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(C)cc1 ZINC001368996362 1148822676 /nfs/dbraw/zinc/82/26/76/1148822676.db2.gz PNIGVPWMFMBDDB-INIZCTEOSA-N 1 3 305.466 2.273 20 0 DEADHO C[NH+](C)CCCCCCC[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001604683924 1070465141 /nfs/dbraw/zinc/46/51/41/1070465141.db2.gz RNGYYYPLRNGEMY-UHFFFAOYSA-N 1 3 316.453 2.468 20 0 DEADHO C[NH+](C)CCCCCCC[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001604683924 1070465149 /nfs/dbraw/zinc/46/51/49/1070465149.db2.gz RNGYYYPLRNGEMY-UHFFFAOYSA-N 1 3 316.453 2.468 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]C/C=C\Cl ZINC001366515855 1147321196 /nfs/dbraw/zinc/32/11/96/1147321196.db2.gz ZUTYIICQJLEODZ-MVUUYHCISA-N 1 3 301.862 2.098 20 0 DEADHO CC(C)=CCN(C)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001328781490 1148834256 /nfs/dbraw/zinc/83/42/56/1148834256.db2.gz UAHKLEJSEZPXJR-IRXDYDNUSA-N 1 3 307.482 2.217 20 0 DEADHO CC(C)=CCN(C)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001328781490 1148834257 /nfs/dbraw/zinc/83/42/57/1148834257.db2.gz UAHKLEJSEZPXJR-IRXDYDNUSA-N 1 3 307.482 2.217 20 0 DEADHO CN(CCC[N@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)Cc1c[nH]cn1 ZINC001368562229 1148498079 /nfs/dbraw/zinc/49/80/79/1148498079.db2.gz YZPIIWGVMQOVKG-OWCLPIDISA-N 1 3 318.465 2.169 20 0 DEADHO CN(CCC[N@@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)Cc1c[nH]cn1 ZINC001368562229 1148498080 /nfs/dbraw/zinc/49/80/80/1148498080.db2.gz YZPIIWGVMQOVKG-OWCLPIDISA-N 1 3 318.465 2.169 20 0 DEADHO CC1(C)CO[C@H](CN2CCC(O)(C[NH+]3CCCCC3)CC2)C1 ZINC001460941593 1058546062 /nfs/dbraw/zinc/54/60/62/1058546062.db2.gz KKSXXQNEBIXKAJ-INIZCTEOSA-N 1 3 310.482 2.114 20 0 DEADHO Cc1cc(C)cc(CN[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1 ZINC001461408593 1058653682 /nfs/dbraw/zinc/65/36/82/1058653682.db2.gz IDWBWROLXQPWMZ-SFHVURJKSA-N 1 3 319.493 2.486 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+]CC[C@@H](C)F)CC1)N(C)C ZINC001501718043 1059661460 /nfs/dbraw/zinc/66/14/60/1059661460.db2.gz BNUULMWVPJSPDO-FPCVCCKLSA-N 1 3 315.477 2.339 20 0 DEADHO CC(C)(C)CC[NH2+]C1(C)CCN(C(=O)CN2CCCC2)CC1 ZINC001502809827 1060316765 /nfs/dbraw/zinc/31/67/65/1060316765.db2.gz OWLPSMJGFWFAGA-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CN(CC(=O)NC[C@H]1C[C@H]([NH2+]CCC2CC2)C1)CC(C)(C)C ZINC001479399362 1061440359 /nfs/dbraw/zinc/44/03/59/1061440359.db2.gz MALOXMYOBRGOFU-WKILWMFISA-N 1 3 309.498 2.249 20 0 DEADHO CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN(C)C(C)C)C2)CC1 ZINC001479502464 1061478702 /nfs/dbraw/zinc/47/87/02/1061478702.db2.gz JLWAFIROORFZMQ-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CN(C)C1(C(=O)NCCC[N@H+](C)Cc2cccc(F)c2)CCC1 ZINC001479774932 1061731003 /nfs/dbraw/zinc/73/10/03/1061731003.db2.gz MUXKBGBPBOUTAY-UHFFFAOYSA-N 1 3 321.440 2.248 20 0 DEADHO CN(C)C1(C(=O)NCCC[N@@H+](C)Cc2cccc(F)c2)CCC1 ZINC001479774932 1061731018 /nfs/dbraw/zinc/73/10/18/1061731018.db2.gz MUXKBGBPBOUTAY-UHFFFAOYSA-N 1 3 321.440 2.248 20 0 DEADHO C[C@H](F)CC[NH+]1CCC(N(C)C(=O)C2(N(C)C)CCC2)CC1 ZINC001479888986 1061990922 /nfs/dbraw/zinc/99/09/22/1061990922.db2.gz PYTWQMZBSTXIMI-AWEZNQCLSA-N 1 3 313.461 2.142 20 0 DEADHO CC(C)=CC[N@@H+](C)C[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001480085443 1062304542 /nfs/dbraw/zinc/30/45/42/1062304542.db2.gz RKAUTTPMUGEEHI-ZWKOTPCHSA-N 1 3 321.509 2.465 20 0 DEADHO CC(C)=CC[N@H+](C)C[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001480085443 1062304561 /nfs/dbraw/zinc/30/45/61/1062304561.db2.gz RKAUTTPMUGEEHI-ZWKOTPCHSA-N 1 3 321.509 2.465 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCc2ccccc2)C1)N(C)C ZINC001480158008 1062405694 /nfs/dbraw/zinc/40/56/94/1062405694.db2.gz HIYVREHVQUJXEI-BZSNNMDCSA-N 1 3 317.477 2.196 20 0 DEADHO CC(C)=CC[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001506896915 1062483375 /nfs/dbraw/zinc/48/33/75/1062483375.db2.gz CATPLQAKYJALAM-WKILWMFISA-N 1 3 309.498 2.415 20 0 DEADHO CC(C)N(C)CC(=O)N(C)[C@@H](C[NH2+]CC1CCCC1)C1CC1 ZINC001507037244 1062704564 /nfs/dbraw/zinc/70/45/64/1062704564.db2.gz SEDVCFYBNSEGIT-KRWDZBQOSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC001507324501 1063097985 /nfs/dbraw/zinc/09/79/85/1063097985.db2.gz KBSGINJPDRFFNL-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CC[N@@H+](CCNC(=O)[C@H]1CCCCN1C(C)C)CC[C@@H](C)F ZINC001493029237 1063490093 /nfs/dbraw/zinc/49/00/93/1063490093.db2.gz RTKWBAOBBKSYRZ-HZPDHXFCSA-N 1 3 315.477 2.436 20 0 DEADHO CC[N@H+](CCNC(=O)[C@H]1CCCCN1C(C)C)CC[C@@H](C)F ZINC001493029237 1063490083 /nfs/dbraw/zinc/49/00/83/1063490083.db2.gz RTKWBAOBBKSYRZ-HZPDHXFCSA-N 1 3 315.477 2.436 20 0 DEADHO CC1CC(C[N@@H+]2CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001493240687 1063664854 /nfs/dbraw/zinc/66/48/54/1063664854.db2.gz TYZWGWFOXFNQIC-AQFXKWCLSA-N 1 3 323.525 2.449 20 0 DEADHO CC1CC(C[N@H+]2CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001493240687 1063664856 /nfs/dbraw/zinc/66/48/56/1063664856.db2.gz TYZWGWFOXFNQIC-AQFXKWCLSA-N 1 3 323.525 2.449 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001493254000 1063672549 /nfs/dbraw/zinc/67/25/49/1063672549.db2.gz UKAFGRWHULGQBO-MRXNPFEDSA-N 1 3 321.440 2.106 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001493254000 1063672555 /nfs/dbraw/zinc/67/25/55/1063672555.db2.gz UKAFGRWHULGQBO-MRXNPFEDSA-N 1 3 321.440 2.106 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[N@H+](CC2CCCCC2)C2CC2)C1 ZINC001493413865 1063781701 /nfs/dbraw/zinc/78/17/01/1063781701.db2.gz JXMFQAKUOZXAAG-INIZCTEOSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[N@@H+](CC2CCCCC2)C2CC2)C1 ZINC001493413865 1063781709 /nfs/dbraw/zinc/78/17/09/1063781709.db2.gz JXMFQAKUOZXAAG-INIZCTEOSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@H]1CC[N@H+](CCC2CC2)C1)N(C)C ZINC001494047989 1064102040 /nfs/dbraw/zinc/10/20/40/1064102040.db2.gz LQZCLNWZDNQKCV-DLBZAZTESA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@H]1CC[N@@H+](CCC2CC2)C1)N(C)C ZINC001494047989 1064102043 /nfs/dbraw/zinc/10/20/43/1064102043.db2.gz LQZCLNWZDNQKCV-DLBZAZTESA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@H](F)CNCCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001567571070 1064259475 /nfs/dbraw/zinc/25/94/75/1064259475.db2.gz MSYNWZYZRBZEJU-GJZGRUSLSA-N 1 3 301.450 2.047 20 0 DEADHO CC(C)C[C@@H](C)C[NH+]1CC(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001494558478 1064315747 /nfs/dbraw/zinc/31/57/47/1064315747.db2.gz DNHLAOVEMOJBMU-OAHLLOKOSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001495001935 1064634198 /nfs/dbraw/zinc/63/41/98/1064634198.db2.gz MPRCAWDGSVPTDF-DOTOQJQBSA-N 1 3 323.456 2.459 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCC1CC1 ZINC001568197325 1064696929 /nfs/dbraw/zinc/69/69/29/1064696929.db2.gz RWINDRCBTSNICW-WBVHZDCISA-N 1 3 309.498 2.391 20 0 DEADHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@H]1CCc2ccccc21 ZINC001568898408 1065178290 /nfs/dbraw/zinc/17/82/90/1065178290.db2.gz LOKWBMKDWNJSKO-WYIDIVSCSA-N 1 3 313.445 2.030 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CCCF ZINC001496170795 1065319908 /nfs/dbraw/zinc/31/99/08/1065319908.db2.gz RTFQCHOUCCZKGO-HUUCEWRRSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CCC[NH2+]Cc1ccccc1F ZINC001569270155 1065405340 /nfs/dbraw/zinc/40/53/40/1065405340.db2.gz KZWXAXMMZWUYIW-UHFFFAOYSA-N 1 3 309.429 2.104 20 0 DEADHO CCCCCN1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001569369620 1065465888 /nfs/dbraw/zinc/46/58/88/1065465888.db2.gz IKBLJTUHDMWMBC-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO CCCCCN1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001569369620 1065465893 /nfs/dbraw/zinc/46/58/93/1065465893.db2.gz IKBLJTUHDMWMBC-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO CCCCC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001569478677 1065532714 /nfs/dbraw/zinc/53/27/14/1065532714.db2.gz MGWOZAXNQDFFCM-HKUYNNGSSA-N 1 3 321.509 2.443 20 0 DEADHO CCCCC[N@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001569478677 1065532727 /nfs/dbraw/zinc/53/27/27/1065532727.db2.gz MGWOZAXNQDFFCM-HKUYNNGSSA-N 1 3 321.509 2.443 20 0 DEADHO C[C@H](F)CC[NH2+]C[C@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001569559499 1065592063 /nfs/dbraw/zinc/59/20/63/1065592063.db2.gz NEWTWPOSOSJSGC-JKSUJKDBSA-N 1 3 313.461 2.047 20 0 DEADHO Cc1ccccc1C[N@@H+](C)CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001496717577 1065669181 /nfs/dbraw/zinc/66/91/81/1065669181.db2.gz YFJSONYFSYRCLQ-UHFFFAOYSA-N 1 3 317.477 2.370 20 0 DEADHO Cc1ccccc1C[N@H+](C)CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001496717577 1065669186 /nfs/dbraw/zinc/66/91/86/1065669186.db2.gz YFJSONYFSYRCLQ-UHFFFAOYSA-N 1 3 317.477 2.370 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001497314566 1066023299 /nfs/dbraw/zinc/02/32/99/1066023299.db2.gz ZRSDOKJJQMEEHP-YOEHRIQHSA-N 1 3 323.456 2.396 20 0 DEADHO C[C@@H](CNCc1sccc1Cl)NC(=O)CCC[NH+](C)C ZINC001498097707 1066502329 /nfs/dbraw/zinc/50/23/29/1066502329.db2.gz CLCKMPGJFMXRDP-NSHDSACASA-N 1 3 317.886 2.338 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccccc1)N(C)C ZINC001498105937 1066507423 /nfs/dbraw/zinc/50/74/23/1066507423.db2.gz IPFAVPMEBDEKRE-ZMSDIMECSA-N 1 3 305.466 2.428 20 0 DEADHO C[C@@H](c1ccccc1)[C@H](NCc1cccc2c1CC[NH2+]C2)C(N)=O ZINC001576311273 1066557556 /nfs/dbraw/zinc/55/75/56/1066557556.db2.gz PMOOMZDHMSBOMA-LIRRHRJNSA-N 1 3 323.440 2.080 20 0 DEADHO CC1(C)C[NH2+]CC[C@@H](NC[C@@H](c2nnc[nH]2)c2ccccc2)C1 ZINC001576478908 1066619055 /nfs/dbraw/zinc/61/90/55/1066619055.db2.gz TXZNQHUOTJCZLJ-HZPDHXFCSA-N 1 3 313.449 2.304 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+]CCCN(C)C(=O)Cc1c[nH]cn1 ZINC001498619262 1066806736 /nfs/dbraw/zinc/80/67/36/1066806736.db2.gz QIXHYDOBHPXQPT-HNNXBMFYSA-N 1 3 314.433 2.460 20 0 DEADHO CCN(C(=O)C[NH2+]CC1CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001577633945 1066891273 /nfs/dbraw/zinc/89/12/73/1066891273.db2.gz QKNSNVLFFJOKEG-SFHVURJKSA-N 1 3 315.461 2.109 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN1CC1CC2(CCC2)C1 ZINC001499093356 1067087746 /nfs/dbraw/zinc/08/77/46/1067087746.db2.gz PKOFQRBEBZLSME-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1CC1CC2(CCC2)C1 ZINC001499093356 1067087759 /nfs/dbraw/zinc/08/77/59/1067087759.db2.gz PKOFQRBEBZLSME-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO CN(C)C[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])[C@@H]2C[C@@H]21)c1ccc(Cl)cc1 ZINC001578412170 1067090074 /nfs/dbraw/zinc/09/00/74/1067090074.db2.gz GTGMVAXJSDWCLT-ZVDSWSACSA-N 1 3 321.852 2.042 20 0 DEADHO C[C@H]1[NH2+]CCC[C@H]1NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001579499182 1067355037 /nfs/dbraw/zinc/35/50/37/1067355037.db2.gz BJECMMRDXITFIN-QLFBSQMISA-N 1 3 311.470 2.364 20 0 DEADHO Cc1ccc(CNC(=O)C2CCN(CC3(C[NH3+])CC3)CC2)cc1 ZINC001579695685 1067405662 /nfs/dbraw/zinc/40/56/62/1067405662.db2.gz JTCISMJNVRWUOV-UHFFFAOYSA-N 1 3 315.461 2.062 20 0 DEADHO Cc1nn(C(C)C)cc1CNC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001579889509 1067448102 /nfs/dbraw/zinc/44/81/02/1067448102.db2.gz SEBQJHCIZZRFHJ-MRXNPFEDSA-N 1 3 306.454 2.021 20 0 DEADHO [NH3+][C@@H]1C[C@H](N[C@@H]2Cc3ccc(Cl)cc3C2)C12CCOCC2 ZINC001580162688 1067513655 /nfs/dbraw/zinc/51/36/55/1067513655.db2.gz DBYNNRQELSTBMG-OAGGEKHMSA-N 1 3 306.837 2.293 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]C/C=C\Cl ZINC001483442709 1078537255 /nfs/dbraw/zinc/53/72/55/1078537255.db2.gz HJNNUIXEWAROOD-AJNJCKRNSA-N 1 3 315.889 2.345 20 0 DEADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C[C@@H](O)c2cccc(F)c2)C1 ZINC001580201129 1067522913 /nfs/dbraw/zinc/52/29/13/1067522913.db2.gz ZDQXVYAWHOWFJG-XDNAFOTISA-N 1 3 322.424 2.220 20 0 DEADHO CC1CCC(C[NH2+]CCCN(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC001483456368 1078545586 /nfs/dbraw/zinc/54/55/86/1078545586.db2.gz UUSRBOWXPQWODJ-JCYILVPMSA-N 1 3 309.498 2.345 20 0 DEADHO CC[NH2+]CCc1ccc(CNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001267097452 1078571946 /nfs/dbraw/zinc/57/19/46/1078571946.db2.gz DZZUOPGEOWEELU-UHFFFAOYSA-N 1 3 319.493 2.433 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001483512406 1078577182 /nfs/dbraw/zinc/57/71/82/1078577182.db2.gz YHKYWQJALHTQTE-IXDOHACOSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CCCF ZINC001267148175 1078613773 /nfs/dbraw/zinc/61/37/73/1078613773.db2.gz HXFHQYBJCMAKPD-LSDHHAIUSA-N 1 3 301.450 2.093 20 0 DEADHO CCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001570923954 1068161714 /nfs/dbraw/zinc/16/17/14/1068161714.db2.gz HJQATINCCWQCKT-FJIDUMEYSA-N 1 3 321.509 2.343 20 0 DEADHO CCCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001570923954 1068161717 /nfs/dbraw/zinc/16/17/17/1068161717.db2.gz HJQATINCCWQCKT-FJIDUMEYSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[N@H+](CCCNC(=O)[C@H]1CCCN1C)CCC(F)(F)F ZINC001267239944 1078691830 /nfs/dbraw/zinc/69/18/30/1078691830.db2.gz VRHUHCWUYFWAEN-CYBMUJFWSA-N 1 3 323.403 2.250 20 0 DEADHO CC(C)[N@@H+](CCCNC(=O)[C@H]1CCCN1C)CCC(F)(F)F ZINC001267239944 1078691831 /nfs/dbraw/zinc/69/18/31/1078691831.db2.gz VRHUHCWUYFWAEN-CYBMUJFWSA-N 1 3 323.403 2.250 20 0 DEADHO CC(C)=CCN(C)CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001571612075 1068439399 /nfs/dbraw/zinc/43/93/99/1068439399.db2.gz XDHREHCVEUVLFT-SFHVURJKSA-N 1 3 321.509 2.463 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1=CC[N@H+](CCC2CC2)CC1)N(C)C ZINC001571698276 1068488157 /nfs/dbraw/zinc/48/81/57/1068488157.db2.gz BBBPLSSKDAYJNO-KRWDZBQOSA-N 1 3 307.482 2.121 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1=CC[N@@H+](CCC2CC2)CC1)N(C)C ZINC001571698276 1068488161 /nfs/dbraw/zinc/48/81/61/1068488161.db2.gz BBBPLSSKDAYJNO-KRWDZBQOSA-N 1 3 307.482 2.121 20 0 DEADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCN2CCCC(C)(C)C)C1 ZINC001483693665 1078813923 /nfs/dbraw/zinc/81/39/23/1078813923.db2.gz GBZVBCYTGVBCLV-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CCN2CCCC(C)(C)C)C1 ZINC001483693665 1078813932 /nfs/dbraw/zinc/81/39/32/1078813932.db2.gz GBZVBCYTGVBCLV-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@@H]1CCCCN1C ZINC001519752864 1069070276 /nfs/dbraw/zinc/07/02/76/1069070276.db2.gz LXJUFVMBMXVJRZ-CVEARBPZSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC[C@@H]1CCCCN1C ZINC001519752864 1069070279 /nfs/dbraw/zinc/07/02/79/1069070279.db2.gz LXJUFVMBMXVJRZ-CVEARBPZSA-N 1 3 310.486 2.034 20 0 DEADHO CC[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)[C@H](CC)CN1 ZINC001573721622 1069081978 /nfs/dbraw/zinc/08/19/78/1069081978.db2.gz ZMHNYPPNFOHZGU-QBPKDAKJSA-N 1 3 322.497 2.175 20 0 DEADHO CC[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)[C@H](CC)CN1 ZINC001573721622 1069081981 /nfs/dbraw/zinc/08/19/81/1069081981.db2.gz ZMHNYPPNFOHZGU-QBPKDAKJSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)CC[NH2+]CCCc2ccccc2)C1 ZINC001267428848 1078846029 /nfs/dbraw/zinc/84/60/29/1078846029.db2.gz DYCMXKHTOBYRNN-QGZVFWFLSA-N 1 3 317.477 2.009 20 0 DEADHO CC(C)C[N@@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001272412355 1078854750 /nfs/dbraw/zinc/85/47/50/1078854750.db2.gz ASRHIBVOBUXAIJ-IBGZPJMESA-N 1 3 315.461 2.194 20 0 DEADHO CC(C)C[N@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001272412355 1078854752 /nfs/dbraw/zinc/85/47/52/1078854752.db2.gz ASRHIBVOBUXAIJ-IBGZPJMESA-N 1 3 315.461 2.194 20 0 DEADHO CN(CCCNC(=O)C12CCC[NH+]1CCC2)Cc1ccsc1 ZINC001566470944 1072611583 /nfs/dbraw/zinc/61/15/83/1072611583.db2.gz GBCKHJWOPMZWPJ-UHFFFAOYSA-N 1 3 321.490 2.315 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]Cc2ccc(F)cc2C)CC1)N(C)C ZINC001483745560 1078982377 /nfs/dbraw/zinc/98/23/77/1078982377.db2.gz FOXCUWKMDYUKMC-MRXNPFEDSA-N 1 3 321.440 2.213 20 0 DEADHO O=C(N[C@@H]1CCCC[C@@H]1NC1CC[NH2+]CC1)c1ccccc1 ZINC001549338321 1073131045 /nfs/dbraw/zinc/13/10/45/1073131045.db2.gz YITSMEAKQJQTAS-DLBZAZTESA-N 1 3 301.434 2.069 20 0 DEADHO O=C(N[C@@H]1CCCC[C@@H]1[NH2+]C1CCNCC1)c1ccccc1 ZINC001549338321 1073131050 /nfs/dbraw/zinc/13/10/50/1073131050.db2.gz YITSMEAKQJQTAS-DLBZAZTESA-N 1 3 301.434 2.069 20 0 DEADHO CN(C)Cc1cccc(NC(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001549750297 1073254028 /nfs/dbraw/zinc/25/40/28/1073254028.db2.gz YGAZMEHZDBHQQB-ZXFUBFMLSA-N 1 3 316.449 2.400 20 0 DEADHO CCn1cc([C@@H]2OCC[C@@H]2C[N@@H+]2CC[C@H]3[C@H](CCN3C)C2)cn1 ZINC001550129733 1073446474 /nfs/dbraw/zinc/44/64/74/1073446474.db2.gz YQBCWKXDRWRETI-XYVMCAHJSA-N 1 3 318.465 2.007 20 0 DEADHO CCn1cc([C@@H]2OCC[C@@H]2C[N@H+]2CC[C@H]3[C@H](CCN3C)C2)cn1 ZINC001550129733 1073446481 /nfs/dbraw/zinc/44/64/81/1073446481.db2.gz YQBCWKXDRWRETI-XYVMCAHJSA-N 1 3 318.465 2.007 20 0 DEADHO [NH3+]C[C@]12CCC[C@@H]1CN(C[C@@H]1CCC3(CCOCC3)CO1)C2 ZINC001550174515 1073476507 /nfs/dbraw/zinc/47/65/07/1073476507.db2.gz BMLRUZQRWHHAEK-RYRKJORJSA-N 1 3 308.466 2.023 20 0 DEADHO N[C@H](CC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC001550233285 1073524325 /nfs/dbraw/zinc/52/43/25/1073524325.db2.gz CPWRLALOEQXIOS-AEFFLSMTSA-N 1 3 301.434 2.069 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)CC[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001649439901 1079120079 /nfs/dbraw/zinc/12/00/79/1079120079.db2.gz JFLALVBUKFSWNJ-INIZCTEOSA-N 1 3 321.509 2.347 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](N[C@H](C)c3c[nH]nc3C)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550356482 1073612690 /nfs/dbraw/zinc/61/26/90/1073612690.db2.gz WCYQVHSUBQBETQ-JGRFCZEVSA-N 1 3 320.481 2.239 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](N[C@H](C)c3c[nH]nc3C)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550356482 1073612694 /nfs/dbraw/zinc/61/26/94/1073612694.db2.gz WCYQVHSUBQBETQ-JGRFCZEVSA-N 1 3 320.481 2.239 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3cccc(O)c3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550422914 1073648864 /nfs/dbraw/zinc/64/88/64/1073648864.db2.gz FFCUUBUFBASFJL-XWSJACJDSA-N 1 3 318.461 2.352 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3cccc(O)c3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550422914 1073648868 /nfs/dbraw/zinc/64/88/68/1073648868.db2.gz FFCUUBUFBASFJL-XWSJACJDSA-N 1 3 318.461 2.352 20 0 DEADHO CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(c2cc(N)ncc2Cl)C1 ZINC001550624279 1073752542 /nfs/dbraw/zinc/75/25/42/1073752542.db2.gz RTQMTQKPONZUBG-NWDGAFQWSA-N 1 3 310.829 2.007 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@@H]([NH2+]Cc1ccc([O-])c(F)c1)C2 ZINC001550665535 1073783627 /nfs/dbraw/zinc/78/36/27/1073783627.db2.gz NSXNJRLOBANEKA-RANZSIQMSA-N 1 3 322.424 2.101 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@@H]([NH2+]Cc1ccc([O-])c(F)c1)C2 ZINC001550665535 1073783633 /nfs/dbraw/zinc/78/36/33/1073783633.db2.gz NSXNJRLOBANEKA-RANZSIQMSA-N 1 3 322.424 2.101 20 0 DEADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@H+](CC3CCCCC3)C2)CCC1 ZINC001481095206 1079177715 /nfs/dbraw/zinc/17/77/15/1079177715.db2.gz GUACQLURBNRQKH-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@@H+](CC3CCCCC3)C2)CCC1 ZINC001481095206 1079177717 /nfs/dbraw/zinc/17/77/17/1079177717.db2.gz GUACQLURBNRQKH-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CCC/C=C/CC[N@@H+]1CC[C@@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001481120421 1079215298 /nfs/dbraw/zinc/21/52/98/1079215298.db2.gz DFCUNEZEIUYGIV-JFDDCEBESA-N 1 3 318.465 2.445 20 0 DEADHO CCC/C=C/CC[N@H+]1CC[C@@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001481120421 1079215307 /nfs/dbraw/zinc/21/53/07/1079215307.db2.gz DFCUNEZEIUYGIV-JFDDCEBESA-N 1 3 318.465 2.445 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@H]2CN(Cc3cc4c(cn3)OCCO4)C[C@H]2C1 ZINC001551263254 1074140381 /nfs/dbraw/zinc/14/03/81/1074140381.db2.gz UTZIXOSXBIRQAA-SQWLQELKSA-N 1 3 317.433 2.015 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001551328242 1074172811 /nfs/dbraw/zinc/17/28/11/1074172811.db2.gz MBRSYYDNXBKVDW-YLFCFFPRSA-N 1 3 307.482 2.050 20 0 DEADHO Cc1ncncc1[C@H](C)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001551402249 1074207274 /nfs/dbraw/zinc/20/72/74/1074207274.db2.gz UETFQGKAFZTHHF-HJOIGYKYSA-N 1 3 318.465 2.469 20 0 DEADHO C[C@H](C[NH+](C)C)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC001552061566 1074453315 /nfs/dbraw/zinc/45/33/15/1074453315.db2.gz VXGWESISRXSZDH-OAHLLOKOSA-N 1 3 303.450 2.352 20 0 DEADHO O=C(c1cccc2c1CNC2)N1CCC[C@@H]([C@H]2CCCC[NH2+]2)C1 ZINC001552432813 1074574931 /nfs/dbraw/zinc/57/49/31/1074574931.db2.gz WWIYKBLXDCVATD-CRAIPNDOSA-N 1 3 313.445 2.284 20 0 DEADHO CC(C)C[C@](C)(C[NH3+])C(=O)NC[C@@H]1NCCc2ccccc21 ZINC001646749395 1074597081 /nfs/dbraw/zinc/59/70/81/1074597081.db2.gz XIQHREIDMIFMQE-FUHWJXTLSA-N 1 3 303.450 2.001 20 0 DEADHO CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC(=O)C[C@@H]1NCc2ccccc21 ZINC001552920297 1074695140 /nfs/dbraw/zinc/69/51/40/1074695140.db2.gz MJMLUIAECAAVCX-ONIAQPFYSA-N 1 3 313.445 2.114 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC(C)C)C1 ZINC001484125707 1079314017 /nfs/dbraw/zinc/31/40/17/1079314017.db2.gz PKSNTAMENPTDME-AEFFLSMTSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001369280946 1148889974 /nfs/dbraw/zinc/88/99/74/1148889974.db2.gz BPDJAJIXNNDJKS-YOEHRIQHSA-N 1 3 323.456 2.411 20 0 DEADHO CN1CC[C@H](CN[C@@H]2CC[NH2+]C23CCCC3)[C@H]1c1cccnc1 ZINC001553027823 1074741507 /nfs/dbraw/zinc/74/15/07/1074741507.db2.gz OTWVZUIWRVPTNI-KZNAEPCWSA-N 1 3 314.477 2.339 20 0 DEADHO Cc1ccc(CN(CCNC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)cc1 ZINC001481196506 1079323890 /nfs/dbraw/zinc/32/38/90/1079323890.db2.gz IEZHISRWDOFCCX-KRWDZBQOSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccc(CN(CCNC(=O)[C@H]2CC[N@H+](C)C2)C2CC2)cc1 ZINC001481196506 1079323901 /nfs/dbraw/zinc/32/39/01/1079323901.db2.gz IEZHISRWDOFCCX-KRWDZBQOSA-N 1 3 315.461 2.027 20 0 DEADHO CC(C)[C@@H](O)CN1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001648436890 1074998936 /nfs/dbraw/zinc/99/89/36/1074998936.db2.gz HITKOWCXHYBDOL-IBGZPJMESA-N 1 3 320.477 2.228 20 0 DEADHO CC(C)[C@@H](O)CN1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001648436890 1074998938 /nfs/dbraw/zinc/99/89/38/1074998938.db2.gz HITKOWCXHYBDOL-IBGZPJMESA-N 1 3 320.477 2.228 20 0 DEADHO CN(C)c1cc[nH+]cc1CNCc1ccc(-n2ccnc2)nc1 ZINC001648759621 1075008565 /nfs/dbraw/zinc/00/85/65/1075008565.db2.gz WCBSCQHMGNJYQQ-UHFFFAOYSA-N 1 3 308.389 2.018 20 0 DEADHO CCC/C=C/CCN1C[C@@H]2C[C@H]1CN2C(=O)CC[N@H+](C)CC ZINC001267713949 1079401513 /nfs/dbraw/zinc/40/15/13/1079401513.db2.gz TVOSBJNEQKPGCQ-FNQZAJIHSA-N 1 3 307.482 2.360 20 0 DEADHO CCC/C=C/CCN1C[C@@H]2C[C@H]1CN2C(=O)CC[N@@H+](C)CC ZINC001267713949 1079401515 /nfs/dbraw/zinc/40/15/15/1079401515.db2.gz TVOSBJNEQKPGCQ-FNQZAJIHSA-N 1 3 307.482 2.360 20 0 DEADHO CN(CCNCc1cccc(F)c1)C(=O)C12CCC[NH+]1CCC2 ZINC001481251362 1079476690 /nfs/dbraw/zinc/47/66/90/1079476690.db2.gz KFHRBKYBNMPILT-UHFFFAOYSA-N 1 3 319.424 2.002 20 0 DEADHO CC(C)CC[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001484369897 1079567410 /nfs/dbraw/zinc/56/74/10/1079567410.db2.gz ULVJMFVZLVMCAR-HOTGVXAUSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001650379941 1079573670 /nfs/dbraw/zinc/57/36/70/1079573670.db2.gz YJDYENVUJAULKG-QLFBSQMISA-N 1 3 301.434 2.338 20 0 DEADHO CCCC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H](C)C1 ZINC001671250395 1079618659 /nfs/dbraw/zinc/61/86/59/1079618659.db2.gz BUTYYBGHHPJUCP-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC1(C)CC(C[NH2+]CC[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001484539534 1079651369 /nfs/dbraw/zinc/65/13/69/1079651369.db2.gz NTGNGLFORDHIRK-CQSZACIVSA-N 1 3 318.465 2.217 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC[C@@H](C)F)CC1 ZINC001484575560 1079671597 /nfs/dbraw/zinc/67/15/97/1079671597.db2.gz XLTLRKNAHMKTKX-BZUAXINKSA-N 1 3 315.477 2.339 20 0 DEADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)C[NH2+]C/C=C\Cl ZINC001268015015 1079697192 /nfs/dbraw/zinc/69/71/92/1079697192.db2.gz FAOILCBXCRFGDD-PODYEWJSSA-N 1 3 323.868 2.456 20 0 DEADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCCN(C/C=C\Cl)CC2)CC1 ZINC001484722160 1079757867 /nfs/dbraw/zinc/75/78/67/1079757867.db2.gz FMYKKUWEPUZSNA-RXTQTKKPSA-N 1 3 313.873 2.051 20 0 DEADHO C[NH+](C)CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCCCF ZINC001481384987 1079771231 /nfs/dbraw/zinc/77/12/31/1079771231.db2.gz IMYWOCMPZVRYCN-IYBDPMFKSA-N 1 3 313.461 2.143 20 0 DEADHO CCCCCC[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001484887542 1079838048 /nfs/dbraw/zinc/83/80/48/1079838048.db2.gz JPNMGPWHMBIOHG-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO CN1CCN(c2ncccc2C[NH2+]Cc2ccsc2)CC1 ZINC000066876921 1079862061 /nfs/dbraw/zinc/86/20/61/1079862061.db2.gz LHOKQRFFXSDXNQ-UHFFFAOYSA-N 1 3 302.447 2.185 20 0 DEADHO c1ccc(N2CCOCC2)c(C[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000066972327 1079867210 /nfs/dbraw/zinc/86/72/10/1079867210.db2.gz TZRHEVPQFCOOHT-MRXNPFEDSA-N 1 3 315.461 2.097 20 0 DEADHO CCCCC[N@@H+]1CC[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001481454860 1079884070 /nfs/dbraw/zinc/88/40/70/1079884070.db2.gz ZLLYZGJMXBYRNM-IRXDYDNUSA-N 1 3 309.498 2.347 20 0 DEADHO CCCCC[N@H+]1CC[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001481454860 1079884077 /nfs/dbraw/zinc/88/40/77/1079884077.db2.gz ZLLYZGJMXBYRNM-IRXDYDNUSA-N 1 3 309.498 2.347 20 0 DEADHO C[C@@H](C[NH2+]CCC1CCCCC1)N(C)C(=O)[C@@H]1CCCN1C ZINC001268057409 1079986995 /nfs/dbraw/zinc/98/69/95/1079986995.db2.gz YJPRYFBHCYCGSO-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](CCNC[C@@H](CC(F)F)NC(=O)OC(C)(C)C)[NH+](C)C ZINC001657744552 1080184789 /nfs/dbraw/zinc/18/47/89/1080184789.db2.gz POEPXPOCLLFTIU-VXGBXAGGSA-N 1 3 323.428 2.465 20 0 DEADHO C[C@H](CC[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)N(C)C ZINC001657744552 1080184791 /nfs/dbraw/zinc/18/47/91/1080184791.db2.gz POEPXPOCLLFTIU-VXGBXAGGSA-N 1 3 323.428 2.465 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001485706828 1080372967 /nfs/dbraw/zinc/37/29/67/1080372967.db2.gz OZBMWCARXMNIGA-QAQDUYKDSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(C)c2)C1)N(C)C ZINC001485695113 1080378968 /nfs/dbraw/zinc/37/89/68/1080378968.db2.gz BHCHLSVDLOLQDL-BZSNNMDCSA-N 1 3 317.477 2.320 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)CC[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001268401344 1080427401 /nfs/dbraw/zinc/42/74/01/1080427401.db2.gz BGWNCBWZQNNBGS-ZBFHGGJFSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@H](C(=O)N(CC)CC[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001268458250 1080523371 /nfs/dbraw/zinc/52/33/71/1080523371.db2.gz IXLZLACUGWAZJO-QGZVFWFLSA-N 1 3 323.456 2.412 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1(C[NH2+]CC2CC2)CCCC1 ZINC001481913266 1080601667 /nfs/dbraw/zinc/60/16/67/1080601667.db2.gz RPTPQNKBIQKASX-GASCZTMLSA-N 1 3 307.482 2.288 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CC=C(Cl)Cl)C1)N(C)C ZINC001662713115 1080639621 /nfs/dbraw/zinc/63/96/21/1080639621.db2.gz WVMFRUPQGZWKAQ-NWDGAFQWSA-N 1 3 322.280 2.084 20 0 DEADHO C[C@H]([NH2+]C/C=C\CNC(=O)[C@H]1CCCN1C)c1ccccc1 ZINC001268572758 1080781694 /nfs/dbraw/zinc/78/16/94/1080781694.db2.gz CCLJOUFIWCMOBM-RWGIFROESA-N 1 3 301.434 2.104 20 0 DEADHO C[NH+](C)CCC(=O)NC/C=C\CNCc1ccc(Cl)cc1 ZINC001268587142 1080831959 /nfs/dbraw/zinc/83/19/59/1080831959.db2.gz HNOTZZMCUSOIOD-ARJAWSKDSA-N 1 3 309.841 2.054 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC/C=C/C[NH2+]CC2=CCCCC2)C1 ZINC001268590645 1080837304 /nfs/dbraw/zinc/83/73/04/1080837304.db2.gz HZUGQDFNHGPTAR-SQRWCISFSA-N 1 3 305.466 2.091 20 0 DEADHO CN(CCNCc1ccsc1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001664007937 1080848784 /nfs/dbraw/zinc/84/87/84/1080848784.db2.gz BVYHTYIFYLHJSN-CVEARBPZSA-N 1 3 321.490 2.313 20 0 DEADHO CN(CCNCc1ccsc1)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001664007937 1080848787 /nfs/dbraw/zinc/84/87/87/1080848787.db2.gz BVYHTYIFYLHJSN-CVEARBPZSA-N 1 3 321.490 2.313 20 0 DEADHO C[C@@H](C[NH2+]C/C=C/Cl)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001268704467 1080942186 /nfs/dbraw/zinc/94/21/86/1080942186.db2.gz DSTLZWGZMXCKEW-RZRUPYEKSA-N 1 3 319.852 2.046 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)[C@@H]2CC[N@H+](CCCCCF)C2)C1 ZINC001665664522 1081059201 /nfs/dbraw/zinc/05/92/01/1081059201.db2.gz NSHGKLGCIBDFES-JKSUJKDBSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)[C@@H]2CC[N@@H+](CCCCCF)C2)C1 ZINC001665664522 1081059207 /nfs/dbraw/zinc/05/92/07/1081059207.db2.gz NSHGKLGCIBDFES-JKSUJKDBSA-N 1 3 313.461 2.001 20 0 DEADHO CC(C[NH2+]CC1=CCCCC1)N(C)C(=O)c1ncccc1O ZINC001666888825 1081191479 /nfs/dbraw/zinc/19/14/79/1081191479.db2.gz VWLTUJDPPIHOPV-ZDUSSCGKSA-N 1 3 303.406 2.338 20 0 DEADHO CC/C=C/CCN1CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001269311506 1081208120 /nfs/dbraw/zinc/20/81/20/1081208120.db2.gz UPMBUKMYZFZBPI-LAQIPUCWSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)CC[NH2+]CC=C(Cl)Cl ZINC001668321051 1081340970 /nfs/dbraw/zinc/34/09/70/1081340970.db2.gz WAKUSDZAJQYRRC-NSHDSACASA-N 1 3 310.269 2.130 20 0 DEADHO CCN(CC[NH2+]Cc1ccc(F)cc1)C(=O)[C@H](C(C)C)N(C)C ZINC001668460168 1081357253 /nfs/dbraw/zinc/35/72/53/1081357253.db2.gz YJJFBSLOHSAIJS-KRWDZBQOSA-N 1 3 323.456 2.350 20 0 DEADHO CC(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001269791476 1081367209 /nfs/dbraw/zinc/36/72/09/1081367209.db2.gz QKJJQEAQPQHNDH-SJORKVTESA-N 1 3 311.514 2.447 20 0 DEADHO CCCC[NH2+]CCC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001269871425 1081388518 /nfs/dbraw/zinc/38/85/18/1081388518.db2.gz ZUPJLSZMSBSTSH-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC/C=C/C[NH2+]CC2CCCCC2)C1 ZINC001669039567 1081422680 /nfs/dbraw/zinc/42/26/80/1081422680.db2.gz OJPPMEIXGSMOSD-SQRWCISFSA-N 1 3 307.482 2.171 20 0 DEADHO C[C@H]1CCN(CC(=O)NC/C=C/C[NH2+]CC2CCCCC2)C1 ZINC001669039564 1081422800 /nfs/dbraw/zinc/42/28/00/1081422800.db2.gz OJPPMEIXGSMOSD-JFDDCEBESA-N 1 3 307.482 2.171 20 0 DEADHO C[C@H](C[NH2+]CCCc1ccsc1)NC(=O)C1(N(C)C)CCC1 ZINC001669312700 1081445154 /nfs/dbraw/zinc/44/51/54/1081445154.db2.gz FEDTXSBVXCKXOW-CQSZACIVSA-N 1 3 323.506 2.259 20 0 DEADHO CC(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001671784958 1081538739 /nfs/dbraw/zinc/53/87/39/1081538739.db2.gz NSJJYDPORFWSDE-FUHWJXTLSA-N 1 3 309.498 2.203 20 0 DEADHO CCC(CC)CN1CC(N(CC)C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000951750243 1081579362 /nfs/dbraw/zinc/57/93/62/1081579362.db2.gz VFTXIWFVOJNJPB-RHSMWYFYSA-N 1 3 309.498 2.153 20 0 DEADHO CCC(CC)CN1CC(N(CC)C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000951750243 1081579367 /nfs/dbraw/zinc/57/93/67/1081579367.db2.gz VFTXIWFVOJNJPB-RHSMWYFYSA-N 1 3 309.498 2.153 20 0 DEADHO CCN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)C1CN(CC2CCCCC2)C1 ZINC000951749789 1081580198 /nfs/dbraw/zinc/58/01/98/1081580198.db2.gz HCAKANFHUIICCP-MAUKXSAKSA-N 1 3 321.509 2.297 20 0 DEADHO CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)C1CN(CC2CCCCC2)C1 ZINC000951749789 1081580200 /nfs/dbraw/zinc/58/02/00/1081580200.db2.gz HCAKANFHUIICCP-MAUKXSAKSA-N 1 3 321.509 2.297 20 0 DEADHO CCC/C=C/CC[N@H+]1C[C@H]2CN(C(=O)CN(C)CCC)C[C@H]2C1 ZINC001672442118 1081599496 /nfs/dbraw/zinc/59/94/96/1081599496.db2.gz AHQNLPKFLVDYOJ-BNPWSIICSA-N 1 3 321.509 2.465 20 0 DEADHO CCC/C=C/CC[N@@H+]1C[C@H]2CN(C(=O)CN(C)CCC)C[C@H]2C1 ZINC001672442118 1081599498 /nfs/dbraw/zinc/59/94/98/1081599498.db2.gz AHQNLPKFLVDYOJ-BNPWSIICSA-N 1 3 321.509 2.465 20 0 DEADHO CCCCC[NH2+]C[C@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001270737345 1081618300 /nfs/dbraw/zinc/61/83/00/1081618300.db2.gz KQJAHLQIQOQXCX-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H](C[NH2+]CCCF)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC001482369706 1081767947 /nfs/dbraw/zinc/76/79/47/1081767947.db2.gz ZPGXNBBMUNUEAH-CQSZACIVSA-N 1 3 309.429 2.158 20 0 DEADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1[NH2+]CCCF ZINC001673929647 1081815327 /nfs/dbraw/zinc/81/53/27/1081815327.db2.gz UONMXBGQUGZONU-PBHICJAKSA-N 1 3 321.440 2.158 20 0 DEADHO C[C@@H](C[NH2+]CCCC1CCCC1)N(C)C(=O)[C@@H]1CCCN1C ZINC001270915511 1081837561 /nfs/dbraw/zinc/83/75/61/1081837561.db2.gz YIQXXDSMACSIFW-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+](CCCCCF)C1)N(C)C ZINC001266246548 1081914125 /nfs/dbraw/zinc/91/41/25/1081914125.db2.gz RTCHVWCEEFQQDY-JKSUJKDBSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CCC[N@@H+](CCCCCF)C1)N(C)C ZINC001266246548 1081914130 /nfs/dbraw/zinc/91/41/30/1081914130.db2.gz RTCHVWCEEFQQDY-JKSUJKDBSA-N 1 3 315.477 2.293 20 0 DEADHO CC1CCN(CCNC(=O)[C@@H]2CCCCC23CC[NH2+]CC3)CC1 ZINC001648964630 1081959940 /nfs/dbraw/zinc/95/99/40/1081959940.db2.gz DFZYGCXZYUMQJB-KRWDZBQOSA-N 1 3 321.509 2.395 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC001648969307 1081973182 /nfs/dbraw/zinc/97/31/82/1081973182.db2.gz NSCHIWYBBYVYEE-PFPDTZPXSA-N 1 3 313.445 2.079 20 0 DEADHO CC(C)C[C@H](C[NH2+]CCF)NC(=O)[C@H]1CCCCN1C(C)C ZINC001271304726 1082009189 /nfs/dbraw/zinc/00/91/89/1082009189.db2.gz MSCRQAYHNNBZBO-HZPDHXFCSA-N 1 3 315.477 2.339 20 0 DEADHO COC(=O)CCC[NH+]1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000705894619 1082034995 /nfs/dbraw/zinc/03/49/95/1082034995.db2.gz IBALXRYFCQRBBC-IAGOWNOFSA-N 1 3 302.418 2.003 20 0 DEADHO CC(C)CCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001271673755 1082106389 /nfs/dbraw/zinc/10/63/89/1082106389.db2.gz MDALBBYJLBETKI-CABCVRRESA-N 1 3 306.454 2.073 20 0 DEADHO CC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001266639434 1082240185 /nfs/dbraw/zinc/24/01/85/1082240185.db2.gz ACTFDLQLBKSRPY-DQJMVQDWSA-N 1 3 307.482 2.452 20 0 DEADHO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@@H]1CC[C@@H]2CCCCN21 ZINC001648984696 1082397359 /nfs/dbraw/zinc/39/73/59/1082397359.db2.gz DKLYAVRNTNOJBW-BBRMVZONSA-N 1 3 317.408 2.427 20 0 DEADHO Cc1cccc(C[NH2+]CC[C@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001482903020 1082554711 /nfs/dbraw/zinc/55/47/11/1082554711.db2.gz WDXVVLOOCRKPAA-INIZCTEOSA-N 1 3 305.466 2.320 20 0 DEADHO C[C@H](NC/C=C\CNC(=O)CC[NH+](C)C)c1ccc(F)cc1 ZINC001483053627 1082665508 /nfs/dbraw/zinc/66/55/08/1082665508.db2.gz GKSILKBCRAPRKJ-WSNITJDQSA-N 1 3 307.413 2.100 20 0 DEADHO CC[C@@H](C(=O)NC/C=C\C[NH2+][C@H](C)c1ccc(F)cc1)N(C)C ZINC001483060705 1082677603 /nfs/dbraw/zinc/67/76/03/1082677603.db2.gz OTATWIPVCQMRPX-FRAJWHGFSA-N 1 3 321.440 2.489 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCF)N1CCCCC1 ZINC001272261931 1082842939 /nfs/dbraw/zinc/84/29/39/1082842939.db2.gz MBEPAPKMTKMAAX-LSDHHAIUSA-N 1 3 313.461 2.095 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1C ZINC001409437461 1082889231 /nfs/dbraw/zinc/88/92/31/1082889231.db2.gz QXWCSAFDTCDSGB-HZPDHXFCSA-N 1 3 305.466 2.320 20 0 DEADHO C[C@H](CN(C)C(=O)CC[N@H+](C)C1CCCCC1)NCCF ZINC001507106571 1083060456 /nfs/dbraw/zinc/06/04/56/1083060456.db2.gz DIPCLLZJCXGXRF-CQSZACIVSA-N 1 3 301.450 2.047 20 0 DEADHO C[C@H](CN(C)C(=O)CC[N@@H+](C)C1CCCCC1)NCCF ZINC001507106571 1083060459 /nfs/dbraw/zinc/06/04/59/1083060459.db2.gz DIPCLLZJCXGXRF-CQSZACIVSA-N 1 3 301.450 2.047 20 0 DEADHO CCCC[NH2+]C[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001483266898 1083065349 /nfs/dbraw/zinc/06/53/49/1083065349.db2.gz WTXCEASARQXWOB-XJKSGUPXSA-N 1 3 301.450 2.093 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107437012 1083394116 /nfs/dbraw/zinc/39/41/16/1083394116.db2.gz ZDGRPIMTUQWDLK-SJLPKXTDSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)C[N@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107437012 1083394124 /nfs/dbraw/zinc/39/41/24/1083394124.db2.gz ZDGRPIMTUQWDLK-SJLPKXTDSA-N 1 3 321.509 2.488 20 0 DEADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC1)CC2 ZINC001107457891 1083410418 /nfs/dbraw/zinc/41/04/18/1083410418.db2.gz VKRHHURLSWUMPG-VQIMIIECSA-N 1 3 321.509 2.488 20 0 DEADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC1)CC2 ZINC001107457891 1083410422 /nfs/dbraw/zinc/41/04/22/1083410422.db2.gz VKRHHURLSWUMPG-VQIMIIECSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1ccc(CCCN2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)o1 ZINC001276446734 1083439860 /nfs/dbraw/zinc/43/98/60/1083439860.db2.gz ZKWUPXUNOYXXMG-CALCHBBNSA-N 1 3 305.466 2.231 20 0 DEADHO COC(=O)c1ccc(CNC[C@H]2C[NH+]3CCC2CC3)cc1C ZINC001413258113 1083475191 /nfs/dbraw/zinc/47/51/91/1083475191.db2.gz JMWCUPGZBLFQTJ-INIZCTEOSA-N 1 3 302.418 2.213 20 0 DEADHO C[NH+](C)CCN1CCC2(CN(Cc3nccc4ccccc43)C2)C1 ZINC001276614842 1083514940 /nfs/dbraw/zinc/51/49/40/1083514940.db2.gz NSGMPEYUYVYLQO-UHFFFAOYSA-N 1 3 324.472 2.304 20 0 DEADHO CCN1C[C@H](NC(=O)c2cccc(CC[NH+](C)C)c2)C(C)(C)C1 ZINC001413664629 1083828008 /nfs/dbraw/zinc/82/80/08/1083828008.db2.gz YJYWDBIPIOJSDX-KRWDZBQOSA-N 1 3 317.477 2.251 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC001490949565 1083969098 /nfs/dbraw/zinc/96/90/98/1083969098.db2.gz LXNINSNESZKSEU-JFIYKMOQSA-N 1 3 315.461 2.253 20 0 DEADHO CCCCCCN(C)CC(=O)NCCC[NH2+]C[C@H](F)CC ZINC001168595592 1084115086 /nfs/dbraw/zinc/11/50/86/1084115086.db2.gz LOFUVJAFBSFLLX-OAHLLOKOSA-N 1 3 303.466 2.343 20 0 DEADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CC1=CCCCC1 ZINC001277843203 1084170148 /nfs/dbraw/zinc/17/01/48/1084170148.db2.gz ANCKITUEVFVMAI-OAHLLOKOSA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)=CC[NH2+]C[C@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001491265519 1084193209 /nfs/dbraw/zinc/19/32/09/1084193209.db2.gz YQGSOHYWCVJERP-DLBZAZTESA-N 1 3 307.482 2.265 20 0 DEADHO C[C@@H]1CNCC(F)(F)[C@H]1CN1CCCC[C@@]12CCC[NH2+]C2 ZINC001235172221 1084334202 /nfs/dbraw/zinc/33/42/02/1084334202.db2.gz KZRNSUQWGTXOMX-ILXRZTDVSA-N 1 3 301.425 2.085 20 0 DEADHO C[C@@H](Cc1ccc2c(c1)OCO2)CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235187426 1084337480 /nfs/dbraw/zinc/33/74/80/1084337480.db2.gz YNJKIJFHCLMQEG-IMJJTQAJSA-N 1 3 302.418 2.135 20 0 DEADHO COC(=O)c1cc(CN2CCC([C@H]3CCCC[NH2+]3)CC2)cn1C ZINC001235227823 1084351181 /nfs/dbraw/zinc/35/11/81/1084351181.db2.gz IXLWHFBUJOIYDR-MRXNPFEDSA-N 1 3 319.449 2.166 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2F)[C@H]1C ZINC001486095796 1085056802 /nfs/dbraw/zinc/05/68/02/1085056802.db2.gz NARANKHOMACLJJ-PBHICJAKSA-N 1 3 321.440 2.245 20 0 DEADHO C[C@@H]1[C@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CN1CCCC1 ZINC001486096689 1085057497 /nfs/dbraw/zinc/05/74/97/1085057497.db2.gz PCYCJEQHJRHVHG-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccccc1 ZINC000960489278 1085311511 /nfs/dbraw/zinc/31/15/11/1085311511.db2.gz TUAFEROOHARIMW-ZWKOTPCHSA-N 1 3 315.461 2.204 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccccc1 ZINC000960489278 1085311522 /nfs/dbraw/zinc/31/15/22/1085311522.db2.gz TUAFEROOHARIMW-ZWKOTPCHSA-N 1 3 315.461 2.204 20 0 DEADHO C[C@H](NC(=O)CN1CC[C@H](C)C1)C1CC[NH+](CC2CCC2)CC1 ZINC001486449423 1085321546 /nfs/dbraw/zinc/32/15/46/1085321546.db2.gz WXPQBEQMCGIUKI-HOTGVXAUSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCC1)N(C)C ZINC000960864286 1085487212 /nfs/dbraw/zinc/48/72/12/1085487212.db2.gz HIQFEDRDKPCRIH-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCC1)N(C)C ZINC000960864286 1085487220 /nfs/dbraw/zinc/48/72/20/1085487220.db2.gz HIQFEDRDKPCRIH-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961265095 1085664638 /nfs/dbraw/zinc/66/46/38/1085664638.db2.gz VBKPKMDOVUZCGG-ZWKOTPCHSA-N 1 3 321.509 2.299 20 0 DEADHO CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961265095 1085664660 /nfs/dbraw/zinc/66/46/60/1085664660.db2.gz VBKPKMDOVUZCGG-ZWKOTPCHSA-N 1 3 321.509 2.299 20 0 DEADHO CCC[NH2+]C1CC2(CC(NC(=O)CN3[C@H](C)CC[C@H]3C)C2)C1 ZINC000965932939 1085701482 /nfs/dbraw/zinc/70/14/82/1085701482.db2.gz GBKPBPXLUQZSLL-ANUBTTBHSA-N 1 3 307.482 2.286 20 0 DEADHO CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+](CC)C2)CC1)N(C)C ZINC000961413355 1085723702 /nfs/dbraw/zinc/72/37/02/1085723702.db2.gz ZHIUKVHKHNVAOZ-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+](CC)C2)CC1)N(C)C ZINC000961413355 1085723712 /nfs/dbraw/zinc/72/37/12/1085723712.db2.gz ZHIUKVHKHNVAOZ-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961441065 1085734957 /nfs/dbraw/zinc/73/49/57/1085734957.db2.gz MYYKPBMOLDGIEI-KRWDZBQOSA-N 1 3 307.482 2.053 20 0 DEADHO CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961441065 1085734965 /nfs/dbraw/zinc/73/49/65/1085734965.db2.gz MYYKPBMOLDGIEI-KRWDZBQOSA-N 1 3 307.482 2.053 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+]Cc1c(C)cccc1C ZINC001128533169 1086186758 /nfs/dbraw/zinc/18/67/58/1086186758.db2.gz IBBWDTAIOLMBSX-KRWDZBQOSA-N 1 3 323.456 2.189 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CC2CCC2)C1 ZINC000962809715 1086245660 /nfs/dbraw/zinc/24/56/60/1086245660.db2.gz RKEIKVOTBLOZKD-OFLPRAFFSA-N 1 3 307.482 2.145 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cc(C)ccc1F)N(C)C ZINC001273122781 1086276965 /nfs/dbraw/zinc/27/69/65/1086276965.db2.gz HTUCSISAZQGPTF-WMLDXEAASA-N 1 3 323.456 2.459 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN[C@H](C)c1ccccc1F ZINC001128787262 1086385731 /nfs/dbraw/zinc/38/57/31/1086385731.db2.gz XWWWPPGRCOCVND-PBHICJAKSA-N 1 3 321.440 2.467 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN[C@H](C)c1ccccc1F ZINC001128787262 1086385744 /nfs/dbraw/zinc/38/57/44/1086385744.db2.gz XWWWPPGRCOCVND-PBHICJAKSA-N 1 3 321.440 2.467 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+]CCCc1ccc(C)cc1 ZINC001168754937 1086479307 /nfs/dbraw/zinc/47/93/07/1086479307.db2.gz FATWCZSVFBCVJM-UHFFFAOYSA-N 1 3 319.493 2.365 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1oc(C(C)C)nc1C ZINC001168756203 1086516728 /nfs/dbraw/zinc/51/67/28/1086516728.db2.gz WTTGAKKZKAVCJC-UHFFFAOYSA-N 1 3 324.469 2.044 20 0 DEADHO CCc1ccc(CC[NH2+]CCCNC(=O)CN(CC)CC)cc1 ZINC001168762408 1087102889 /nfs/dbraw/zinc/10/28/89/1087102889.db2.gz APDGRMQMXDONDC-UHFFFAOYSA-N 1 3 319.493 2.229 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1cc(C)ccc1F ZINC001168762789 1087198221 /nfs/dbraw/zinc/19/82/21/1087198221.db2.gz ISBZYTPPYQLHIA-UHFFFAOYSA-N 1 3 309.429 2.072 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1C ZINC001079806449 1088428311 /nfs/dbraw/zinc/42/83/11/1088428311.db2.gz HICNEDMBIXEMCK-BRWVUGGUSA-N 1 3 307.482 2.264 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC=C(C)C)C[C@H]1C ZINC001079806449 1088428321 /nfs/dbraw/zinc/42/83/21/1088428321.db2.gz HICNEDMBIXEMCK-BRWVUGGUSA-N 1 3 307.482 2.264 20 0 DEADHO C[C@@H]1C[N@H+](CC2CC2)C[C@H]1NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC001079849996 1088475788 /nfs/dbraw/zinc/47/57/88/1088475788.db2.gz FRAJMLDAVRWLSD-OLMNPRSZSA-N 1 3 319.493 2.240 20 0 DEADHO C[C@@H]1C[N@@H+](CC2CC2)C[C@H]1NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC001079849996 1088475795 /nfs/dbraw/zinc/47/57/95/1088475795.db2.gz FRAJMLDAVRWLSD-OLMNPRSZSA-N 1 3 319.493 2.240 20 0 DEADHO CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001080188966 1088669671 /nfs/dbraw/zinc/66/96/71/1088669671.db2.gz ZDQBDMBSVXUKNT-OIISXLGYSA-N 1 3 307.482 2.097 20 0 DEADHO CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001080188966 1088669678 /nfs/dbraw/zinc/66/96/78/1088669678.db2.gz ZDQBDMBSVXUKNT-OIISXLGYSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1)N(C)C ZINC000960137292 1089979055 /nfs/dbraw/zinc/97/90/55/1089979055.db2.gz QWRBDWCDMHDIKQ-ROUUACIJSA-N 1 3 317.477 2.498 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001082740821 1090067407 /nfs/dbraw/zinc/06/74/07/1090067407.db2.gz HIYDQVJSALEVDO-HLLBOEOZSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@H]2CCN(C(C)C)C[C@H]21)[NH+]1CCCC1 ZINC001084853229 1090476903 /nfs/dbraw/zinc/47/69/03/1090476903.db2.gz XZUJSHVZZJWZGD-BRWVUGGUSA-N 1 3 307.482 2.048 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]([NH2+]CC1CCC1)C(C)C ZINC001410268984 1090499807 /nfs/dbraw/zinc/49/98/07/1090499807.db2.gz ODEQOAWVKOLHOI-OAHLLOKOSA-N 1 3 306.454 2.181 20 0 DEADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+][C@@H](C)c1ccccc1 ZINC001410458138 1090702715 /nfs/dbraw/zinc/70/27/15/1090702715.db2.gz ZFNWRFRZODMSIU-KGLIPLIRSA-N 1 3 300.406 2.150 20 0 DEADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(C)(C)N1CCCCC1 ZINC001412443103 1091412355 /nfs/dbraw/zinc/41/23/55/1091412355.db2.gz DLQIQKSKQIPGND-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(C)(C)N1CCCCC1 ZINC001412443103 1091412361 /nfs/dbraw/zinc/41/23/61/1091412361.db2.gz DLQIQKSKQIPGND-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)CC[N@@H+]1CCC2(CN(CCCc3ccc(F)cc3)C2)C1 ZINC001274879994 1091461826 /nfs/dbraw/zinc/46/18/26/1091461826.db2.gz DIMDLQCLXPTNNE-UHFFFAOYSA-N 1 3 319.468 2.328 20 0 DEADHO CN(C)CC[N@H+]1CCC2(CN(CCCc3ccc(F)cc3)C2)C1 ZINC001274879994 1091461832 /nfs/dbraw/zinc/46/18/32/1091461832.db2.gz DIMDLQCLXPTNNE-UHFFFAOYSA-N 1 3 319.468 2.328 20 0 DEADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](C[C@@H]3CC=CCC3)C[C@H]2CC1 ZINC001275040871 1091526168 /nfs/dbraw/zinc/52/61/68/1091526168.db2.gz VNHFNHYYHYXGLP-KURKYZTESA-N 1 3 319.493 2.075 20 0 DEADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](C[C@@H]3CC=CCC3)C[C@H]2CC1 ZINC001275040871 1091526172 /nfs/dbraw/zinc/52/61/72/1091526172.db2.gz VNHFNHYYHYXGLP-KURKYZTESA-N 1 3 319.493 2.075 20 0 DEADHO CN(C(=O)CN1CCC(C)(C)C1)[C@@H]1CCC[N@H+](CC2CC2)CC1 ZINC000948770394 1091927819 /nfs/dbraw/zinc/92/78/19/1091927819.db2.gz HHHVLLOZMBZLBI-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C(=O)CN1CCC(C)(C)C1)[C@@H]1CCC[N@@H+](CC2CC2)CC1 ZINC000948770394 1091927827 /nfs/dbraw/zinc/92/78/27/1091927827.db2.gz HHHVLLOZMBZLBI-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CCC[C@@H]2C)CC1 ZINC000948775507 1091928725 /nfs/dbraw/zinc/92/87/25/1091928725.db2.gz KBTVLCPSUXBYFZ-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](N(C)C(=O)CN2CCC[C@@H]2C)CC1 ZINC000948775507 1091928729 /nfs/dbraw/zinc/92/87/29/1091928729.db2.gz KBTVLCPSUXBYFZ-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)[C@H]2CCC[N@H+](CC3CC3)CC2)C1 ZINC000948779870 1091932887 /nfs/dbraw/zinc/93/28/87/1091932887.db2.gz WPCIMBVXKSVXAG-WBVHZDCISA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)[C@H]2CCC[N@@H+](CC3CC3)CC2)C1 ZINC000948779870 1091932899 /nfs/dbraw/zinc/93/28/99/1091932899.db2.gz WPCIMBVXKSVXAG-WBVHZDCISA-N 1 3 307.482 2.051 20 0 DEADHO CCN(CCNCc1ccsc1)C(=O)C1CC[NH+](C)CC1 ZINC001273589163 1091938655 /nfs/dbraw/zinc/93/86/55/1091938655.db2.gz YVEDMZXIBNUOOZ-UHFFFAOYSA-N 1 3 309.479 2.028 20 0 DEADHO CN(C)CC[N@@H+]1CCC[C@]2(CCCN(Cc3ccc[nH]3)C2)C1 ZINC001275854740 1092232969 /nfs/dbraw/zinc/23/29/69/1092232969.db2.gz FXAOFRLQAIJPRF-SFHVURJKSA-N 1 3 304.482 2.254 20 0 DEADHO CN(C)CC[N@H+]1CCC[C@]2(CCCN(Cc3ccc[nH]3)C2)C1 ZINC001275854740 1092232983 /nfs/dbraw/zinc/23/29/83/1092232983.db2.gz FXAOFRLQAIJPRF-SFHVURJKSA-N 1 3 304.482 2.254 20 0 DEADHO CN(C)CC[N@@H+]1CCC[C@]2(CCCN(Cc3ccccn3)C2)C1 ZINC001275873772 1092255680 /nfs/dbraw/zinc/25/56/80/1092255680.db2.gz PKDPHULQWYBPKT-IBGZPJMESA-N 1 3 316.493 2.321 20 0 DEADHO CN(C)CC[N@H+]1CCC[C@]2(CCCN(Cc3ccccn3)C2)C1 ZINC001275873772 1092255695 /nfs/dbraw/zinc/25/56/95/1092255695.db2.gz PKDPHULQWYBPKT-IBGZPJMESA-N 1 3 316.493 2.321 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC001488875945 1092818297 /nfs/dbraw/zinc/81/82/97/1092818297.db2.gz DVKPEQBDUMTDLI-BPUTZDHNSA-N 1 3 320.481 2.427 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCCC[C@@H]([NH2+]CC[C@@H](C)F)C1 ZINC001489244359 1092983140 /nfs/dbraw/zinc/98/31/40/1092983140.db2.gz UBADVKMKICGEOK-HZPDHXFCSA-N 1 3 315.477 2.436 20 0 DEADHO CN1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1ccc(Cl)cc1 ZINC001490164794 1093219566 /nfs/dbraw/zinc/21/95/66/1093219566.db2.gz NUEHXPUNXCORNM-INIZCTEOSA-N 1 3 323.868 2.372 20 0 DEADHO CN1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1ccc(Cl)cc1 ZINC001490164794 1093219573 /nfs/dbraw/zinc/21/95/73/1093219573.db2.gz NUEHXPUNXCORNM-INIZCTEOSA-N 1 3 323.868 2.372 20 0 DEADHO CC[C@H](F)CN(C)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001490212977 1093228335 /nfs/dbraw/zinc/22/83/35/1093228335.db2.gz ATXRMYXWZFLQNT-HNNXBMFYSA-N 1 3 313.461 2.049 20 0 DEADHO Cc1sccc1C[N@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001274074209 1093789917 /nfs/dbraw/zinc/78/99/17/1093789917.db2.gz SWFPTHNZFZMELG-QGZVFWFLSA-N 1 3 321.490 2.043 20 0 DEADHO Cc1sccc1C[N@@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001274074209 1093789924 /nfs/dbraw/zinc/78/99/24/1093789924.db2.gz SWFPTHNZFZMELG-QGZVFWFLSA-N 1 3 321.490 2.043 20 0 DEADHO CN(C)C1(C(=O)NC[C@@]2(C)CCC[N@H+](CC3CC3)C2)CCC1 ZINC001421298111 1171687080 /nfs/dbraw/zinc/68/70/80/1171687080.db2.gz QVZUXMWNZZTBNH-QGZVFWFLSA-N 1 3 307.482 2.099 20 0 DEADHO CN(C)C1(C(=O)NC[C@@]2(C)CCC[N@@H+](CC3CC3)C2)CCC1 ZINC001421298111 1171687091 /nfs/dbraw/zinc/68/70/91/1171687091.db2.gz QVZUXMWNZZTBNH-QGZVFWFLSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)N(C/C=C\Cl)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001691747381 1138317313 /nfs/dbraw/zinc/31/73/13/1138317313.db2.gz GIZADFIVHHGRHO-YWEYNIOJSA-N 1 3 315.889 2.297 20 0 DEADHO C[C@@H]([NH3+])CN1CCC2(C[C@@H](N(C)Cc3cccs3)CO2)CC1 ZINC001235524332 1138331941 /nfs/dbraw/zinc/33/19/41/1138331941.db2.gz BZUHKUKKZBQYHZ-HUUCEWRRSA-N 1 3 323.506 2.151 20 0 DEADHO C[C@H]1CNCC(F)(F)[C@H]1C[N@H+](C1CCC1)C1CCNCC1 ZINC001236634995 1138388126 /nfs/dbraw/zinc/38/81/26/1138388126.db2.gz ZRYKCCIEJOPAMP-WFASDCNBSA-N 1 3 301.425 2.084 20 0 DEADHO C[C@H]1CNCC(F)(F)[C@H]1C[N@@H+](C1CCC1)C1CCNCC1 ZINC001236634995 1138388130 /nfs/dbraw/zinc/38/81/30/1138388130.db2.gz ZRYKCCIEJOPAMP-WFASDCNBSA-N 1 3 301.425 2.084 20 0 DEADHO CCOC(=O)[C@H]1CN(Cc2cccc(Cl)c2)CCC12C[NH2+]C2 ZINC001237410185 1138614313 /nfs/dbraw/zinc/61/43/13/1138614313.db2.gz JWWZNSBKCAOSEB-OAHLLOKOSA-N 1 3 322.836 2.315 20 0 DEADHO CCOC(=O)[C@@H]1CN(Cc2cc(F)ccc2C)CCC12C[NH2+]C2 ZINC001237430185 1138620708 /nfs/dbraw/zinc/62/07/08/1138620708.db2.gz KBPMWGBGOQLQRW-INIZCTEOSA-N 1 3 320.408 2.109 20 0 DEADHO CN(C)CCN(C(=O)NC1CCCCCC1)[C@H]1CCC[NH2+]C1 ZINC001239307338 1139018035 /nfs/dbraw/zinc/01/80/35/1139018035.db2.gz ATOWCVSTDXAUNX-INIZCTEOSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@@H](NC(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC001239308220 1139018161 /nfs/dbraw/zinc/01/81/61/1139018161.db2.gz UBVAXNFKORHFBD-NVXWUHKLSA-N 1 3 324.513 2.280 20 0 DEADHO CN(Cc1ccc(-c2ccc(N3CC[NH2+]CC3)nc2)nc1)C1CC1 ZINC001240487254 1139383569 /nfs/dbraw/zinc/38/35/69/1139383569.db2.gz XHZPUKWGFFXSIR-UHFFFAOYSA-N 1 3 323.444 2.147 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]C/C=C\c1ccccc1)N(C)C ZINC001491580348 1140174571 /nfs/dbraw/zinc/17/45/71/1140174571.db2.gz RJMBTVVPSAZTJE-VGKLODKDSA-N 1 3 317.477 2.380 20 0 DEADHO CC[N@H+](C)CCC(=O)NCCN(C)[C@@H](C)c1cccc(C)c1 ZINC001492484479 1140512995 /nfs/dbraw/zinc/51/29/95/1140512995.db2.gz SRNOZDWSDMRSMY-INIZCTEOSA-N 1 3 305.466 2.446 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCCN(C)[C@@H](C)c1cccc(C)c1 ZINC001492484479 1140513002 /nfs/dbraw/zinc/51/30/02/1140513002.db2.gz SRNOZDWSDMRSMY-INIZCTEOSA-N 1 3 305.466 2.446 20 0 DEADHO C[C@H](C[NH2+]CCCc1ccsc1)N(C)C(=O)[C@@H]1CCCN1C ZINC001319435591 1140574372 /nfs/dbraw/zinc/57/43/72/1140574372.db2.gz DEHQQWBUGAQPEI-ZBFHGGJFSA-N 1 3 323.506 2.211 20 0 DEADHO CC(C)=CCN(C)CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001320091574 1140820671 /nfs/dbraw/zinc/82/06/71/1140820671.db2.gz WODSWEZVCXMECJ-QGZVFWFLSA-N 1 3 309.498 2.463 20 0 DEADHO CC(C)c1ccc(OC[C@H](O)CNC[C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC001245981469 1140841676 /nfs/dbraw/zinc/84/16/76/1140841676.db2.gz HHSAOEZTRFLXME-RYQLBKOJSA-N 1 3 320.477 2.385 20 0 DEADHO Cc1ccc(OC[C@H](O)CN2CCCC[C@](C)(C[NH3+])C2)cc1 ZINC001246025361 1140848987 /nfs/dbraw/zinc/84/89/87/1140848987.db2.gz XKVKFYQIZUTDOG-SJLPKXTDSA-N 1 3 306.450 2.186 20 0 DEADHO F[C@@H]1CNCC[C@@H]1N[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001246085852 1140859223 /nfs/dbraw/zinc/85/92/23/1140859223.db2.gz JMWXWKAAMUAEPZ-KSZLIROESA-N 1 3 305.441 2.331 20 0 DEADHO F[C@@H]1CNCC[C@@H]1N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246085852 1140859224 /nfs/dbraw/zinc/85/92/24/1140859224.db2.gz JMWXWKAAMUAEPZ-KSZLIROESA-N 1 3 305.441 2.331 20 0 DEADHO C[C@@H]1C[C@H](N[C@H]2CCCN(C(=O)c3ccccc3)C2)CC[NH2+]1 ZINC001246238984 1140876664 /nfs/dbraw/zinc/87/66/64/1140876664.db2.gz BRMBXXNGOVJNCU-OIISXLGYSA-N 1 3 301.434 2.021 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CC2(Cc3ccncc3)CCOCC2)CCN1 ZINC001246387843 1140892309 /nfs/dbraw/zinc/89/23/09/1140892309.db2.gz LHMFBFMYWGXHSD-DOTOQJQBSA-N 1 3 303.450 2.151 20 0 DEADHO COc1cc2c(cc1OC)C[C@H]([NH2+][C@H]1CCN[C@H](C)C1)CC2 ZINC001246465389 1140912028 /nfs/dbraw/zinc/91/20/28/1140912028.db2.gz XVKRRFWKLCQTSJ-WQVCFCJDSA-N 1 3 304.434 2.291 20 0 DEADHO CC(C)(C)[C@H]1C[C@H](NC[C@@H]2Cc3ccccc3CN2)CC[NH2+]1 ZINC001246505628 1140928776 /nfs/dbraw/zinc/92/87/76/1140928776.db2.gz NRQCNQXGODHRDN-FGTMMUONSA-N 1 3 301.478 2.457 20 0 DEADHO C[C@@H](CC(C)(C)SCc1ccco1)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246588622 1140992546 /nfs/dbraw/zinc/99/25/46/1140992546.db2.gz WWYNZCJBBOHTOX-KCQAQPDRSA-N 1 3 312.479 2.321 20 0 DEADHO C[C@@H](CC(C)(C)SCc1ccco1)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246588622 1140992568 /nfs/dbraw/zinc/99/25/68/1140992568.db2.gz WWYNZCJBBOHTOX-KCQAQPDRSA-N 1 3 312.479 2.321 20 0 DEADHO CCC[C@@H](CCc1ccccc1)N1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246642705 1141021022 /nfs/dbraw/zinc/02/10/22/1141021022.db2.gz NDJJKXZXRWAQBT-OALUTQOASA-N 1 3 301.478 2.425 20 0 DEADHO C[C@@H]1C[C@@H](N2CCN[C@H](c3cccc(Br)c3)C2)C[NH2+]1 ZINC001246806410 1141067921 /nfs/dbraw/zinc/06/79/21/1141067921.db2.gz MXTUIYCQWABQNO-DFBGVHRSSA-N 1 3 324.266 2.146 20 0 DEADHO C[C@@H]1C[C@H](N(Cc2ccccc2)[C@@H]2CCNC[C@H]2F)CC[NH2+]1 ZINC001246833279 1141078528 /nfs/dbraw/zinc/07/85/28/1141078528.db2.gz KALLOSSADWZAJQ-VDHUWJSZSA-N 1 3 305.441 2.329 20 0 DEADHO CCC[C@@H](COC)[N@H+](CCC(=O)OCC)[C@H]1CCN[C@H](C)C1 ZINC001246893258 1141106151 /nfs/dbraw/zinc/10/61/51/1141106151.db2.gz VIIYTHGVMXMFND-PMPSAXMXSA-N 1 3 314.470 2.197 20 0 DEADHO CCC[C@@H](COC)[N@@H+](CCC(=O)OCC)[C@H]1CCN[C@H](C)C1 ZINC001246893258 1141106163 /nfs/dbraw/zinc/10/61/63/1141106163.db2.gz VIIYTHGVMXMFND-PMPSAXMXSA-N 1 3 314.470 2.197 20 0 DEADHO CCC[C@@H](COC)N(CCC(=O)OCC)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246893258 1141106183 /nfs/dbraw/zinc/10/61/83/1141106183.db2.gz VIIYTHGVMXMFND-PMPSAXMXSA-N 1 3 314.470 2.197 20 0 DEADHO CC[C@H](F)CNC/C=C/CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001321281772 1141119762 /nfs/dbraw/zinc/11/97/62/1141119762.db2.gz SLSOLJZXPUSKQP-MIVXPEEVSA-N 1 3 313.461 2.261 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC/C=C/C[NH2+]CCC1=CCCCC1 ZINC001321353023 1141193638 /nfs/dbraw/zinc/19/36/38/1141193638.db2.gz MGWCXEKGZKTLOP-AATRIKPKSA-N 1 3 316.449 2.413 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CCC1CC1 ZINC001322368504 1141543517 /nfs/dbraw/zinc/54/35/17/1141543517.db2.gz BVDQJFSRHRNOKH-JKSUJKDBSA-N 1 3 318.465 2.325 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CCC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001322844980 1141738453 /nfs/dbraw/zinc/73/84/53/1141738453.db2.gz VGGRKBHOFRVZHV-CQSZACIVSA-N 1 3 319.440 2.200 20 0 DEADHO CC(C)c1ccc(OC[C@@H](O)CNC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC001250772785 1142310653 /nfs/dbraw/zinc/31/06/53/1142310653.db2.gz SUBVLHPSUWKLQZ-WMZOPIPTSA-N 1 3 320.477 2.481 20 0 DEADHO CC(C)c1ccc(OC[C@@H](O)CNC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001250772785 1142310660 /nfs/dbraw/zinc/31/06/60/1142310660.db2.gz SUBVLHPSUWKLQZ-WMZOPIPTSA-N 1 3 320.477 2.481 20 0 DEADHO O=C(NCCCCCC1CC[NH2+]CC1)N[C@H]1CCN(C2CC2)C1 ZINC001336812052 1142581225 /nfs/dbraw/zinc/58/12/25/1142581225.db2.gz AMEADVOWOYXBTA-INIZCTEOSA-N 1 3 322.497 2.082 20 0 DEADHO CCCC[C@@H](O)CN1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001252085230 1142630460 /nfs/dbraw/zinc/63/04/60/1142630460.db2.gz FYNQLDIFUQHVHK-GUDVDZBRSA-N 1 3 324.509 2.218 20 0 DEADHO CCCC[C@@H](O)CN1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001252085230 1142630470 /nfs/dbraw/zinc/63/04/70/1142630470.db2.gz FYNQLDIFUQHVHK-GUDVDZBRSA-N 1 3 324.509 2.218 20 0 DEADHO O[C@@H](C[NH2+]C1CCN(CC2CCC2)CC1)COCc1ccco1 ZINC001252659060 1142804435 /nfs/dbraw/zinc/80/44/35/1142804435.db2.gz XAVOTZCZKLVHEP-KRWDZBQOSA-N 1 3 322.449 2.011 20 0 DEADHO CCN(CC)C[C@H](O)C[N@@H+]1CC[C@H](c2cccc(OC)c2)C1 ZINC001253192445 1142851883 /nfs/dbraw/zinc/85/18/83/1142851883.db2.gz QONYPEHHUONNRL-IRXDYDNUSA-N 1 3 306.450 2.187 20 0 DEADHO CCN(CC)C[C@H](O)C[N@H+]1CC[C@H](c2cccc(OC)c2)C1 ZINC001253192445 1142851884 /nfs/dbraw/zinc/85/18/84/1142851884.db2.gz QONYPEHHUONNRL-IRXDYDNUSA-N 1 3 306.450 2.187 20 0 DEADHO CCN(CC)C[C@@H](O)C[NH2+]CCc1ccc2ccccc2n1 ZINC001253213497 1142854915 /nfs/dbraw/zinc/85/49/15/1142854915.db2.gz MJHBFMHFNZEAEA-KRWDZBQOSA-N 1 3 301.434 2.070 20 0 DEADHO COC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1CCCN(C)CC1)CC2 ZINC001254515647 1143171297 /nfs/dbraw/zinc/17/12/97/1143171297.db2.gz AFHOYYMGAUJZQU-MRXNPFEDSA-N 1 3 323.481 2.415 20 0 DEADHO Cc1ccnc(O[C@@H]2CCC[N@@H+]([C@H]3CCCN(C)CC3)C2)n1 ZINC001254530690 1143224743 /nfs/dbraw/zinc/22/47/43/1143224743.db2.gz AUWRRQNXKUKDFK-JKSUJKDBSA-N 1 3 304.438 2.113 20 0 DEADHO Cc1ccnc(O[C@@H]2CCC[N@H+]([C@H]3CCCN(C)CC3)C2)n1 ZINC001254530690 1143224772 /nfs/dbraw/zinc/22/47/72/1143224772.db2.gz AUWRRQNXKUKDFK-JKSUJKDBSA-N 1 3 304.438 2.113 20 0 DEADHO C[C@H](CN)C[N@H+](C)[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254765979 1143320686 /nfs/dbraw/zinc/32/06/86/1143320686.db2.gz BSFGJNHWAWXURV-KGLIPLIRSA-N 1 3 311.470 2.303 20 0 DEADHO C[C@H](CN)C[N@@H+](C)[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254765979 1143320694 /nfs/dbraw/zinc/32/06/94/1143320694.db2.gz BSFGJNHWAWXURV-KGLIPLIRSA-N 1 3 311.470 2.303 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001421651443 1171884042 /nfs/dbraw/zinc/88/40/42/1171884042.db2.gz QATJYEAGHHCKLO-OAHLLOKOSA-N 1 3 309.479 2.169 20 0 DEADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCN(CC)CC)C2 ZINC001255181502 1143473575 /nfs/dbraw/zinc/47/35/75/1143473575.db2.gz YJXLWLJPRNVCQJ-MUJYYYPQSA-N 1 3 311.470 2.460 20 0 DEADHO C[C@H](CC(F)(F)F)N1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001255664791 1143800073 /nfs/dbraw/zinc/80/00/73/1143800073.db2.gz SSQMYPIIXHQHDW-CYBMUJFWSA-N 1 3 307.404 2.287 20 0 DEADHO CC[NH+](CC)CC[C@H](C)NCC1(c2cnccn2)CCOCC1 ZINC001255954741 1143816555 /nfs/dbraw/zinc/81/65/55/1143816555.db2.gz YXKXOMDUDXUVEJ-INIZCTEOSA-N 1 3 320.481 2.235 20 0 DEADHO CCN(CC)CC[C@@H](C)[NH2+]CC1CCN(c2cnccn2)CC1 ZINC001255954052 1143816773 /nfs/dbraw/zinc/81/67/73/1143816773.db2.gz ROLHJNSAEJNEKM-MRXNPFEDSA-N 1 3 319.497 2.403 20 0 DEADHO COC(=O)Cc1cccc(CNC2CC[NH+](C3CC3)CC2)c1 ZINC001256074339 1143828034 /nfs/dbraw/zinc/82/80/34/1143828034.db2.gz SYUSWYLOQWJOIE-UHFFFAOYSA-N 1 3 302.418 2.119 20 0 DEADHO CNC(=O)C[N@@H+]1CCCC12CCN([C@@H](C)CCC(C)C)CC2 ZINC001256364719 1143844852 /nfs/dbraw/zinc/84/48/52/1143844852.db2.gz VJOKXHOXUNDHTO-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CNC(=O)C[N@H+]1CCCC12CCN([C@@H](C)CCC(C)C)CC2 ZINC001256364719 1143844855 /nfs/dbraw/zinc/84/48/55/1143844855.db2.gz VJOKXHOXUNDHTO-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO [NH3+]Cc1ccc2nnn(C3CCN(Cc4ccncc4)CC3)c2c1 ZINC001256582976 1143855536 /nfs/dbraw/zinc/85/55/36/1143855536.db2.gz RPEUXLRLPZTYKW-UHFFFAOYSA-N 1 3 322.416 2.122 20 0 DEADHO CC(C)N(CC[NH2+]C1CCC(N2CCOCC2)CC1)C(C)C ZINC001256677876 1143861605 /nfs/dbraw/zinc/86/16/05/1143861605.db2.gz PUBBSCVHFDUNEC-UHFFFAOYSA-N 1 3 311.514 2.338 20 0 DEADHO C([NH2+]C1CCC(N2CCOCC2)CC1)C1CCC2(COC2)CC1 ZINC001256679085 1143861716 /nfs/dbraw/zinc/86/17/16/1143861716.db2.gz BWRLGDYBLDNUNE-UHFFFAOYSA-N 1 3 322.493 2.426 20 0 DEADHO CC(C)Cn1cnc(C[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256685741 1143862385 /nfs/dbraw/zinc/86/23/85/1143862385.db2.gz FYAUJKXWXOTYTI-UHFFFAOYSA-N 1 3 320.481 2.272 20 0 DEADHO N=c1sc2c(n1[C@H]1CCC[N@@H+](C3CCCC3)C1)CCNC2 ZINC001256921160 1143875275 /nfs/dbraw/zinc/87/52/75/1143875275.db2.gz WOHZFSWHRFTCAP-ZDUSSCGKSA-N 1 3 306.479 2.254 20 0 DEADHO N=c1sc2c(n1[C@H]1CCC[N@H+](C3CCCC3)C1)CCNC2 ZINC001256921160 1143875276 /nfs/dbraw/zinc/87/52/76/1143875276.db2.gz WOHZFSWHRFTCAP-ZDUSSCGKSA-N 1 3 306.479 2.254 20 0 DEADHO CC(C)N1CCC([NH2+]Cc2ccc(OC3COC3)cc2)CC1 ZINC001257207754 1143892743 /nfs/dbraw/zinc/89/27/43/1143892743.db2.gz GXVJTWKXWAEXRK-UHFFFAOYSA-N 1 3 304.434 2.427 20 0 DEADHO CC(C)=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001279007315 1143896974 /nfs/dbraw/zinc/89/69/74/1143896974.db2.gz XVVJWNWOELJZAR-CVEARBPZSA-N 1 3 307.482 2.264 20 0 DEADHO CCC(CC)N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001257299231 1143897191 /nfs/dbraw/zinc/89/71/91/1143897191.db2.gz WFTLIWMUMZWDRH-UHFFFAOYSA-N 1 3 308.470 2.356 20 0 DEADHO CSC(C)(C)C[C@@H](C)[N@@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001258344006 1143993388 /nfs/dbraw/zinc/99/33/88/1143993388.db2.gz HFBQOGKYOFTGQW-CQSZACIVSA-N 1 3 315.527 2.003 20 0 DEADHO CC(C)CN1CCC([NH2+][C@H](C(=O)N2CCCC2)C(C)C)CC1 ZINC001258006467 1143964179 /nfs/dbraw/zinc/96/41/79/1143964179.db2.gz HQVYTJWXLFRMQG-KRWDZBQOSA-N 1 3 309.498 2.343 20 0 DEADHO CSC(C)(C)C[C@@H](C)[N@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001258344006 1143993387 /nfs/dbraw/zinc/99/33/87/1143993387.db2.gz HFBQOGKYOFTGQW-CQSZACIVSA-N 1 3 315.527 2.003 20 0 DEADHO CCC[NH+]1CCC(N[C@H](CO)Cc2cccc(OC)c2)CC1 ZINC001258768561 1144039261 /nfs/dbraw/zinc/03/92/61/1144039261.db2.gz RDFVAMVQYPZSNZ-KRWDZBQOSA-N 1 3 306.450 2.063 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001265493886 1144707114 /nfs/dbraw/zinc/70/71/14/1144707114.db2.gz GHWQSWSKUFJMRP-XIRDDKMYSA-N 1 3 307.482 2.145 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCC2CCC2)C1 ZINC001265964738 1144771663 /nfs/dbraw/zinc/77/16/63/1144771663.db2.gz ZWUWZJCUDHPIPX-IRXDYDNUSA-N 1 3 307.482 2.099 20 0 DEADHO CCC/C=C/CC[N@H+]1C[C@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2C1 ZINC001279410242 1144822166 /nfs/dbraw/zinc/82/21/66/1144822166.db2.gz UOVJCTUKVLYPNV-NVIJWMOFSA-N 1 3 321.509 2.463 20 0 DEADHO CCC/C=C/CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2C1 ZINC001279410242 1144822167 /nfs/dbraw/zinc/82/21/67/1144822167.db2.gz UOVJCTUKVLYPNV-NVIJWMOFSA-N 1 3 321.509 2.463 20 0 DEADHO CC(C)[C@H](C(=O)N(C)CC(C)(C)C[NH2+]C/C=C/Cl)N(C)C ZINC001282337564 1145041406 /nfs/dbraw/zinc/04/14/06/1145041406.db2.gz MBLCSEJZFUINMP-MYSGNRETSA-N 1 3 317.905 2.399 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC001364202589 1145075297 /nfs/dbraw/zinc/07/52/97/1145075297.db2.gz MBPXWUSIJITFOP-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC001364202589 1145075303 /nfs/dbraw/zinc/07/53/03/1145075303.db2.gz MBPXWUSIJITFOP-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001364401894 1145225110 /nfs/dbraw/zinc/22/51/10/1145225110.db2.gz YFXUUNJRKPGKOZ-IRXDYDNUSA-N 1 3 307.482 2.384 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001364401894 1145225118 /nfs/dbraw/zinc/22/51/18/1145225118.db2.gz YFXUUNJRKPGKOZ-IRXDYDNUSA-N 1 3 307.482 2.384 20 0 DEADHO CCOC(=O)c1[nH]c(C)c(CNC[C@H]2C[NH+]3CCC2CC3)c1C ZINC001364757521 1145543401 /nfs/dbraw/zinc/54/34/01/1145543401.db2.gz KOZIGVVIMDUXSN-HNNXBMFYSA-N 1 3 319.449 2.240 20 0 DEADHO C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC001364760353 1145545015 /nfs/dbraw/zinc/54/50/15/1145545015.db2.gz RGQGMFQNHHYVSP-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO C[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC001364760353 1145545021 /nfs/dbraw/zinc/54/50/21/1145545021.db2.gz RGQGMFQNHHYVSP-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(O[C@@H]4CCOC4)cc3)[C@H]2C1 ZINC001364930299 1145687326 /nfs/dbraw/zinc/68/73/26/1145687326.db2.gz HMPOTECPNSEZAQ-NQYYFHDYSA-N 1 3 316.445 2.284 20 0 DEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CCCCN1C ZINC001365099408 1145801124 /nfs/dbraw/zinc/80/11/24/1145801124.db2.gz JNRPCQHEUQKTJC-YVSFHVDLSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CCCCN1C ZINC001365099408 1145801125 /nfs/dbraw/zinc/80/11/25/1145801125.db2.gz JNRPCQHEUQKTJC-YVSFHVDLSA-N 1 3 324.513 2.136 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H]2CCC[C@@]3(CCOC3)O2)[C@@H](C)C1 ZINC001365278730 1145835925 /nfs/dbraw/zinc/83/59/25/1145835925.db2.gz SZTHTEMLCWOGCS-XSLAGTTESA-N 1 3 310.482 2.377 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C[C@@H]2CCC[C@@]3(CCOC3)O2)[C@@H](C)C1 ZINC001365278730 1145835927 /nfs/dbraw/zinc/83/59/27/1145835927.db2.gz SZTHTEMLCWOGCS-XSLAGTTESA-N 1 3 310.482 2.377 20 0 DEADHO CC[C@H](F)CN[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC1(C)C ZINC001284345658 1145839819 /nfs/dbraw/zinc/83/98/19/1145839819.db2.gz BWTFBFKVHPXSCA-LSDHHAIUSA-N 1 3 315.477 2.293 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+][C@@H](CCO)c2ccco2)CC1 ZINC001365584112 1145897606 /nfs/dbraw/zinc/89/76/06/1145897606.db2.gz WAISQKXGBRLPRR-PQUAAJSLSA-N 1 3 322.449 2.326 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C1CC[NH+](CC[C@@H](C)F)CC1)N(C)C ZINC001365931899 1146919606 /nfs/dbraw/zinc/91/96/06/1146919606.db2.gz LSIPPFLWUOTYBH-ZBFHGGJFSA-N 1 3 315.477 2.244 20 0 DEADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001491856890 1146922657 /nfs/dbraw/zinc/92/26/57/1146922657.db2.gz PYSSBHFZIMDMSF-SFHVURJKSA-N 1 3 319.493 2.411 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CCNC(=O)CN(C)C(C)C)cc1 ZINC001492128983 1147085056 /nfs/dbraw/zinc/08/50/56/1147085056.db2.gz KOYADIRJWONGOO-MRXNPFEDSA-N 1 3 305.466 2.320 20 0 DEADHO CCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001366224840 1147130632 /nfs/dbraw/zinc/13/06/32/1147130632.db2.gz HJBISLJGXIEHGP-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001366224840 1147130644 /nfs/dbraw/zinc/13/06/44/1147130644.db2.gz HJBISLJGXIEHGP-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001366231070 1147138037 /nfs/dbraw/zinc/13/80/37/1147138037.db2.gz TYOYTJGASKLNQA-DOTOQJQBSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001366231070 1147138047 /nfs/dbraw/zinc/13/80/47/1147138047.db2.gz TYOYTJGASKLNQA-DOTOQJQBSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1cc(C[NH2+][C@H](C)CNC(=O)CN(C)C2CCC2)cs1 ZINC001366288268 1147193885 /nfs/dbraw/zinc/19/38/85/1147193885.db2.gz PREICTFWAPRVBG-GFCCVEGCSA-N 1 3 309.479 2.135 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001366343762 1147224992 /nfs/dbraw/zinc/22/49/92/1147224992.db2.gz GBIJCCHRGKXKCH-AWEZNQCLSA-N 1 3 317.433 2.369 20 0 DEADHO CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001366409760 1147255654 /nfs/dbraw/zinc/25/56/54/1147255654.db2.gz IZIVJEAMKKDIEY-SJORKVTESA-N 1 3 311.514 2.447 20 0 DEADHO CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001366409754 1147256024 /nfs/dbraw/zinc/25/60/24/1147256024.db2.gz IZIVJEAMKKDIEY-DLBZAZTESA-N 1 3 311.514 2.447 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)CCC[NH+](C)C)c(C)c1 ZINC001366562018 1147355225 /nfs/dbraw/zinc/35/52/25/1147355225.db2.gz AMSPLLNAZWFSPC-UHFFFAOYSA-N 1 3 305.466 2.193 20 0 DEADHO CCc1cccc(CN(C)CCNC(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC001366583587 1147373526 /nfs/dbraw/zinc/37/35/26/1147373526.db2.gz HRGZQKRALWZUDI-SFHVURJKSA-N 1 3 319.493 2.383 20 0 DEADHO Cc1ccc(C)c([C@H](C)[NH2+]CCN(C)C(=O)Cc2c[nH]cn2)c1 ZINC001366777276 1147554222 /nfs/dbraw/zinc/55/42/22/1147554222.db2.gz XPTBKPHDKSYWAS-HNNXBMFYSA-N 1 3 314.433 2.378 20 0 DEADHO CC(C)C[NH2+][C@@H](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001366779381 1147555128 /nfs/dbraw/zinc/55/51/28/1147555128.db2.gz FVYLAOHMWBJANP-CVEARBPZSA-N 1 3 309.498 2.201 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CC2CC2)C1 ZINC001366849287 1147593733 /nfs/dbraw/zinc/59/37/33/1147593733.db2.gz GDTLOTOFNRJVCU-IRXDYDNUSA-N 1 3 307.482 2.099 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001366849287 1147593738 /nfs/dbraw/zinc/59/37/38/1147593738.db2.gz GDTLOTOFNRJVCU-IRXDYDNUSA-N 1 3 307.482 2.099 20 0 DEADHO CCCN(C)CC(=O)N1CCC(C[N@H+](C)C[C@H](F)CC)CC1 ZINC001366885656 1147606957 /nfs/dbraw/zinc/60/69/57/1147606957.db2.gz VEQZIZBRYXRNGS-MRXNPFEDSA-N 1 3 315.477 2.247 20 0 DEADHO CCCN(C)CC(=O)N1CCC(C[N@@H+](C)C[C@H](F)CC)CC1 ZINC001366885656 1147606960 /nfs/dbraw/zinc/60/69/60/1147606960.db2.gz VEQZIZBRYXRNGS-MRXNPFEDSA-N 1 3 315.477 2.247 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001317094036 1147658894 /nfs/dbraw/zinc/65/88/94/1147658894.db2.gz WVHFNRFAZUQADA-QAQDUYKDSA-N 1 3 307.482 2.454 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1 ZINC001367264815 1147671322 /nfs/dbraw/zinc/67/13/22/1147671322.db2.gz WEXLOCWEWXNMML-FUHWJXTLSA-N 1 3 317.477 2.403 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1C)N(C)C ZINC001367297559 1147675160 /nfs/dbraw/zinc/67/51/60/1147675160.db2.gz YVUFWDHHMAVJSZ-WMLDXEAASA-N 1 3 305.466 2.177 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1C)N(C)C ZINC001367297546 1147675342 /nfs/dbraw/zinc/67/53/42/1147675342.db2.gz YVUFWDHHMAVJSZ-PBHICJAKSA-N 1 3 305.466 2.177 20 0 DEADHO CC[C@@H](F)CNC[C@@H](C)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001367370639 1147684849 /nfs/dbraw/zinc/68/48/49/1147684849.db2.gz YSSKUWVNRSXFBX-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H](CNCc1ccccc1F)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367399018 1147689154 /nfs/dbraw/zinc/68/91/54/1147689154.db2.gz QQWKMIYRVIKAFL-GJZGRUSLSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@@H](CNCc1ccccc1F)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001367399018 1147689155 /nfs/dbraw/zinc/68/91/55/1147689155.db2.gz QQWKMIYRVIKAFL-GJZGRUSLSA-N 1 3 321.440 2.104 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)CN1CCCC1 ZINC001367403498 1147689674 /nfs/dbraw/zinc/68/96/74/1147689674.db2.gz IXKGWAHTZWPLBO-MRXNPFEDSA-N 1 3 303.450 2.027 20 0 DEADHO CN(CCN(C)C(=O)CC[NH+](C)C)Cc1ccc(C2CC2)cc1 ZINC001367536098 1147711381 /nfs/dbraw/zinc/71/13/81/1147711381.db2.gz PAJNUKNMUIJYKI-UHFFFAOYSA-N 1 3 317.477 2.406 20 0 DEADHO C[C@@H](c1cccc(F)c1)N(C)CCN(C)C(=O)CC[NH+](C)C ZINC001367538639 1147711908 /nfs/dbraw/zinc/71/19/08/1147711908.db2.gz XSJOXLLPCSBWPK-AWEZNQCLSA-N 1 3 309.429 2.229 20 0 DEADHO C[C@H](C[NH2+]Cc1ccccc1)NC(=O)CN(C)CC(C)(C)C ZINC001367694176 1147728053 /nfs/dbraw/zinc/72/80/53/1147728053.db2.gz BEMVRBRLUNXZBA-OAHLLOKOSA-N 1 3 305.466 2.259 20 0 DEADHO C[C@H](CN[C@H](C)c1ccc(F)c(F)c1)NC(=O)CC[NH+](C)C ZINC001367697806 1147728596 /nfs/dbraw/zinc/72/85/96/1147728596.db2.gz WFENDMYKTXBBDG-VXGBXAGGSA-N 1 3 313.392 2.072 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001367715146 1147731550 /nfs/dbraw/zinc/73/15/50/1147731550.db2.gz NFQVMLPIZFRCOP-ZIAGYGMSSA-N 1 3 319.440 2.246 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccsc1 ZINC001367774718 1147741018 /nfs/dbraw/zinc/74/10/18/1147741018.db2.gz MYAIRZQVMJTSLT-DZGCQCFKSA-N 1 3 309.479 2.217 20 0 DEADHO CN(C/C=C/Cl)C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001317856286 1147758264 /nfs/dbraw/zinc/75/82/64/1147758264.db2.gz FQQLJUKIPFTWMZ-PPYMECGQSA-N 1 3 315.889 2.251 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1([NH2+]CC2CC2)CC1)N1CCCCC1 ZINC001368044424 1147839882 /nfs/dbraw/zinc/83/98/82/1147839882.db2.gz PTZYCHUZLOPMNP-INIZCTEOSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NCCNC(=O)c1ccccc1C(F)(F)F ZINC001325745669 1147994124 /nfs/dbraw/zinc/99/41/24/1147994124.db2.gz ZSICNYALOIYNOJ-QWRGUYRKSA-N 1 3 317.355 2.151 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2ccccc2)C1)N(C)C ZINC001326365191 1148086377 /nfs/dbraw/zinc/08/63/77/1148086377.db2.gz OAEGUVWDDXFIRH-MSOLQXFVSA-N 1 3 317.477 2.355 20 0 DEADHO [NH3+][C@@H]1CCCC[C@@H]1C(=O)NCCCN1CCc2ccccc2C1 ZINC001326407322 1148094105 /nfs/dbraw/zinc/09/41/05/1148094105.db2.gz BFZTWEJLRRMNBH-ZWKOTPCHSA-N 1 3 315.461 2.069 20 0 DEADHO CCCCC[N@@H+]1CCC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001327148250 1148336698 /nfs/dbraw/zinc/33/66/98/1148336698.db2.gz RKUNSBKNDAACHA-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO CCCCC[N@H+]1CCC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001327148250 1148336703 /nfs/dbraw/zinc/33/67/03/1148336703.db2.gz RKUNSBKNDAACHA-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(CO)c1 ZINC000278339034 214100721 /nfs/dbraw/zinc/10/07/21/214100721.db2.gz AGWRCHMDLGIISV-HOTGVXAUSA-N 1 3 306.450 2.330 20 0 DEADHO C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(CO)c1 ZINC000278339034 214100724 /nfs/dbraw/zinc/10/07/24/214100724.db2.gz AGWRCHMDLGIISV-HOTGVXAUSA-N 1 3 306.450 2.330 20 0 DEADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000624785850 365550489 /nfs/dbraw/zinc/55/04/89/365550489.db2.gz VOXCUYSBCJAKJW-RDJZCZTQSA-N 1 3 322.497 2.034 20 0 DEADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000624785850 365550496 /nfs/dbraw/zinc/55/04/96/365550496.db2.gz VOXCUYSBCJAKJW-RDJZCZTQSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC[C@H](CO)Cc1c(F)cccc1Cl ZINC000422794884 230213905 /nfs/dbraw/zinc/21/39/05/230213905.db2.gz HEKPNKFDJQPESV-SDDRHHMPSA-N 1 3 302.821 2.346 20 0 DEADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H](CO)Cc1c(F)cccc1Cl ZINC000422794884 230213910 /nfs/dbraw/zinc/21/39/10/230213910.db2.gz HEKPNKFDJQPESV-SDDRHHMPSA-N 1 3 302.821 2.346 20 0 DEADHO C[C@@H]1CC2(CN1CC(=O)N1[C@H](C)CCC[C@@H]1C)CC[NH2+]CC2 ZINC000424294449 230613896 /nfs/dbraw/zinc/61/38/96/230613896.db2.gz QKBDDNZDFMNFHD-OWCLPIDISA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H](NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)C1=CCN(C)CC1 ZINC000358118885 299070430 /nfs/dbraw/zinc/07/04/30/299070430.db2.gz VLYRWHUYBSHSQZ-DOTOQJQBSA-N 1 3 322.497 2.153 20 0 DEADHO C[C@H](NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)C1=CCN(C)CC1 ZINC000358118885 299070434 /nfs/dbraw/zinc/07/04/34/299070434.db2.gz VLYRWHUYBSHSQZ-DOTOQJQBSA-N 1 3 322.497 2.153 20 0 DEADHO C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000113456168 282120845 /nfs/dbraw/zinc/12/08/45/282120845.db2.gz AIXJXRWVJRYHEB-ROUUACIJSA-N 1 3 315.461 2.061 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@]1(C)CC[NH2+]C1)N(C)C ZINC000612909792 361948832 /nfs/dbraw/zinc/94/88/32/361948832.db2.gz OWNDCTPPXOEEMF-ZVZYQTTQSA-N 1 3 318.465 2.037 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000418184399 529450123 /nfs/dbraw/zinc/45/01/23/529450123.db2.gz PWLCMRYOSYTKOK-YCPHGPKFSA-N 1 3 306.454 2.023 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000173518510 282191363 /nfs/dbraw/zinc/19/13/63/282191363.db2.gz WACDMZIOMOJWGB-KRWDZBQOSA-N 1 3 318.465 2.032 20 0 DEADHO CC[C@@H]([NH3+])CNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000417688165 529560006 /nfs/dbraw/zinc/56/00/06/529560006.db2.gz IOZUKSKZLOXIBV-GOEBONIOSA-N 1 3 318.465 2.249 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)NCC1([NH3+])CCCCC1 ZINC000418294944 529608787 /nfs/dbraw/zinc/60/87/87/529608787.db2.gz IOSWNUJEFWUAMI-INIZCTEOSA-N 1 3 318.465 2.210 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000418235220 529615725 /nfs/dbraw/zinc/61/57/25/529615725.db2.gz LEYWIAXYPPBLNN-RHSMWYFYSA-N 1 3 320.481 2.277 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000418235220 529615726 /nfs/dbraw/zinc/61/57/26/529615726.db2.gz LEYWIAXYPPBLNN-RHSMWYFYSA-N 1 3 320.481 2.277 20 0 DEADHO CN(C)[C@H](CNC(=O)[C@@H]1[NH2+]CCCC1(C)C)Cc1ccccc1 ZINC000423313970 282245155 /nfs/dbraw/zinc/24/51/55/282245155.db2.gz XNQYOMRKUHNKDS-IRXDYDNUSA-N 1 3 317.477 2.054 20 0 DEADHO Cc1nn(-c2ccccn2)c(C)c1CNCC1=CC[N@H+](C)CC1 ZINC000282754450 282249536 /nfs/dbraw/zinc/24/95/36/282249536.db2.gz VGYKSKXHCSTWFN-UHFFFAOYSA-N 1 3 311.433 2.236 20 0 DEADHO Cc1nn(-c2ccccn2)c(C)c1CNCC1=CC[N@@H+](C)CC1 ZINC000282754450 282249539 /nfs/dbraw/zinc/24/95/39/282249539.db2.gz VGYKSKXHCSTWFN-UHFFFAOYSA-N 1 3 311.433 2.236 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)[C@H](C)[NH2+]C2CC2)N(C)C)cc1 ZINC000294738680 529708298 /nfs/dbraw/zinc/70/82/98/529708298.db2.gz JONZUBZIMYGXOE-SUMWQHHRSA-N 1 3 303.450 2.108 20 0 DEADHO CCC(CC)[C@H](CN[C@H](C1CC1)[C@H]1CNCCO1)[NH+]1CCCC1 ZINC000422818207 282276933 /nfs/dbraw/zinc/27/69/33/282276933.db2.gz JTNVMSIFSAHWQQ-IPMKNSEASA-N 1 3 323.525 2.244 20 0 DEADHO CCC(CC)[C@H](C[NH2+][C@H](C1CC1)[C@H]1CNCCO1)N1CCCC1 ZINC000422818207 282276934 /nfs/dbraw/zinc/27/69/34/282276934.db2.gz JTNVMSIFSAHWQQ-IPMKNSEASA-N 1 3 323.525 2.244 20 0 DEADHO CNC(=O)CCN(C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411215239 529856964 /nfs/dbraw/zinc/85/69/64/529856964.db2.gz GWICVNLESGIQPT-UHFFFAOYSA-N 1 3 303.450 2.240 20 0 DEADHO CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCCCN1CC ZINC000189564862 282312748 /nfs/dbraw/zinc/31/27/48/282312748.db2.gz DOVCKRDRNIFKNH-INIZCTEOSA-N 1 3 312.502 2.234 20 0 DEADHO CN1CCCN(CCC[NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000442789983 530053754 /nfs/dbraw/zinc/05/37/54/530053754.db2.gz ZPBQZDXDCRJSRZ-UHFFFAOYSA-N 1 3 303.441 2.428 20 0 DEADHO CN1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH2+]2)[C@@H]1c1cccs1 ZINC000237117214 282374664 /nfs/dbraw/zinc/37/46/64/282374664.db2.gz UZNUYOPTMRPOCU-SQWLQELKSA-N 1 3 321.490 2.389 20 0 DEADHO C[C@H](C(=O)NC1CC[NH+](CC2CC2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000245202603 282383471 /nfs/dbraw/zinc/38/34/71/282383471.db2.gz UMNFRLJOHGBVHD-QLFBSQMISA-N 1 3 307.482 2.238 20 0 DEADHO CN(c1ccccc1C[NH2+]CC(C)(C)CO)C1CCN(C)CC1 ZINC000136085579 539517249 /nfs/dbraw/zinc/51/72/49/539517249.db2.gz TXYBFQLMKYPZMI-UHFFFAOYSA-N 1 3 319.493 2.325 20 0 DEADHO COC[C@@H](CNCC(C)(C)C[N@H+](C)Cc1ccccc1)OC ZINC000272679572 210084542 /nfs/dbraw/zinc/08/45/42/210084542.db2.gz MPVFZTPOJLCOGW-QGZVFWFLSA-N 1 3 308.466 2.396 20 0 DEADHO COC[C@@H](CNCC(C)(C)C[N@@H+](C)Cc1ccccc1)OC ZINC000272679572 210084545 /nfs/dbraw/zinc/08/45/45/210084545.db2.gz MPVFZTPOJLCOGW-QGZVFWFLSA-N 1 3 308.466 2.396 20 0 DEADHO CCCN1CCC([NH2+][C@H](C)C(=O)NCc2ccccc2)CC1 ZINC000153756440 539546445 /nfs/dbraw/zinc/54/64/45/539546445.db2.gz HWODWIITYCXNLG-OAHLLOKOSA-N 1 3 303.450 2.155 20 0 DEADHO CCN1CC[C@H](NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000616307529 362823053 /nfs/dbraw/zinc/82/30/53/362823053.db2.gz QXKZRXKTGQPMQF-ROUUACIJSA-N 1 3 315.461 2.076 20 0 DEADHO C[NH+](C)CCCOc1cccc(NC(=O)C2(N)CCCC2)c1 ZINC000178792765 539637430 /nfs/dbraw/zinc/63/74/30/539637430.db2.gz IQLQTSHTCNPGCB-UHFFFAOYSA-N 1 3 305.422 2.227 20 0 DEADHO CC(C)C[C@@H](N)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000236715292 539738856 /nfs/dbraw/zinc/73/88/56/539738856.db2.gz IAXTXXXGLBKDPF-NVXWUHKLSA-N 1 3 305.466 2.387 20 0 DEADHO CC(C)C[C@@H](N)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000236715292 539738861 /nfs/dbraw/zinc/73/88/61/539738861.db2.gz IAXTXXXGLBKDPF-NVXWUHKLSA-N 1 3 305.466 2.387 20 0 DEADHO COc1ccc(-c2n[nH]cc2C[NH2+]C[C@H](C)CN(C)C)cc1 ZINC000291663687 404469171 /nfs/dbraw/zinc/46/91/71/404469171.db2.gz FLYIIPIPCDOKTO-ZDUSSCGKSA-N 1 3 302.422 2.373 20 0 DEADHO C[C@@H](CN(C)C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000287094536 219308479 /nfs/dbraw/zinc/30/84/79/219308479.db2.gz PPYGVNVXFKCFGK-WZGPROSRSA-N 1 3 301.478 2.437 20 0 DEADHO Cc1nn(C)c2ncc(C[N@H+](C)C[C@@H]3CCCN(C)C3)cc12 ZINC000152472950 186076454 /nfs/dbraw/zinc/07/64/54/186076454.db2.gz ZPFBELSNKWTWJC-CQSZACIVSA-N 1 3 301.438 2.050 20 0 DEADHO Cc1nn(C)c2ncc(C[N@@H+](C)C[C@@H]3CCCN(C)C3)cc12 ZINC000152472950 186076456 /nfs/dbraw/zinc/07/64/56/186076456.db2.gz ZPFBELSNKWTWJC-CQSZACIVSA-N 1 3 301.438 2.050 20 0 DEADHO COc1ccc(NC(=O)CCN(C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000152473187 186076588 /nfs/dbraw/zinc/07/65/88/186076588.db2.gz HBHVMRSKVTXBPP-HNNXBMFYSA-N 1 3 319.449 2.297 20 0 DEADHO COc1ccc(NC(=O)CCN(C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000152473187 186076591 /nfs/dbraw/zinc/07/65/91/186076591.db2.gz HBHVMRSKVTXBPP-HNNXBMFYSA-N 1 3 319.449 2.297 20 0 DEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)CCC1CC[NH2+]CC1 ZINC000155940618 186124346 /nfs/dbraw/zinc/12/43/46/186124346.db2.gz FOTHOTRSNMTIDH-GOSISDBHSA-N 1 3 317.477 2.055 20 0 DEADHO CC(C)(C)[C@H](N)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000163853107 186140676 /nfs/dbraw/zinc/14/06/76/186140676.db2.gz YUYFIHSHNODJOA-MRXNPFEDSA-N 1 3 303.450 2.272 20 0 DEADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCC1([NH3+])CCCCC1 ZINC000418307014 295820027 /nfs/dbraw/zinc/82/00/27/295820027.db2.gz AAFTUCSRJIKNRF-AWEZNQCLSA-N 1 3 310.486 2.020 20 0 DEADHO CCN(C)C(=O)CC[N@H+](CC)Cc1ccc(CN(C)C)cc1 ZINC000626062955 366031668 /nfs/dbraw/zinc/03/16/68/366031668.db2.gz MNGIOCOTHVINQR-UHFFFAOYSA-N 1 3 305.466 2.439 20 0 DEADHO CCN(C)C(=O)CC[N@@H+](CC)Cc1ccc(CN(C)C)cc1 ZINC000626062955 366031669 /nfs/dbraw/zinc/03/16/69/366031669.db2.gz MNGIOCOTHVINQR-UHFFFAOYSA-N 1 3 305.466 2.439 20 0 DEADHO CN1CCC(Oc2ccc(C[NH2+][C@@H]3CCCOC3)cc2)CC1 ZINC000284383935 539823347 /nfs/dbraw/zinc/82/33/47/539823347.db2.gz OPNDLQPDAYEXCX-MRXNPFEDSA-N 1 3 304.434 2.428 20 0 DEADHO CN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@H]1CCN(Cc2ccccc2)C1 ZINC000309746139 539878239 /nfs/dbraw/zinc/87/82/39/539878239.db2.gz XTHZQSDQARVAON-FGTMMUONSA-N 1 3 315.461 2.094 20 0 DEADHO CC(C)[NH+]1CCC(N[C@H](C)c2cccc(-n3cnnn3)c2)CC1 ZINC000320108866 539895575 /nfs/dbraw/zinc/89/55/75/539895575.db2.gz ZIMBTGUTXFTZGG-CQSZACIVSA-N 1 3 314.437 2.186 20 0 DEADHO COc1ccccc1C[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(C)C ZINC000320277264 539896243 /nfs/dbraw/zinc/89/62/43/539896243.db2.gz ZJOOQDHPXQHHAW-DOTOQJQBSA-N 1 3 308.466 2.259 20 0 DEADHO COc1ccccc1C[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(C)C ZINC000320277264 539896245 /nfs/dbraw/zinc/89/62/45/539896245.db2.gz ZJOOQDHPXQHHAW-DOTOQJQBSA-N 1 3 308.466 2.259 20 0 DEADHO C[C@H]([NH3+])C1CCN([C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000430932346 237532685 /nfs/dbraw/zinc/53/26/85/237532685.db2.gz FEGLJQZSEMOTNQ-YOEHRIQHSA-N 1 3 301.434 2.241 20 0 DEADHO CC(C)(CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C1(O)CCCC1 ZINC000333286803 539954537 /nfs/dbraw/zinc/95/45/37/539954537.db2.gz NMNSYKONSLORII-HRCADAONSA-N 1 3 310.482 2.064 20 0 DEADHO CC(C)N1CCC([NH2+][C@H](C)C(=O)NCc2ccc(F)cc2)CC1 ZINC000173620396 198233493 /nfs/dbraw/zinc/23/34/93/198233493.db2.gz JECOMZQMRQVFEX-CQSZACIVSA-N 1 3 321.440 2.293 20 0 DEADHO CN(C)C(=O)c1cccc(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339072736 539985897 /nfs/dbraw/zinc/98/58/97/539985897.db2.gz YQLFYNMLBRKJGV-MSOLQXFVSA-N 1 3 315.461 2.147 20 0 DEADHO CN(C)C(=O)c1cccc(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339072736 539985901 /nfs/dbraw/zinc/98/59/01/539985901.db2.gz YQLFYNMLBRKJGV-MSOLQXFVSA-N 1 3 315.461 2.147 20 0 DEADHO CN1CCC(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)CC1 ZINC000174795053 198386979 /nfs/dbraw/zinc/38/69/79/198386979.db2.gz MRHMJTCWOHSSKK-UHFFFAOYSA-N 1 3 319.449 2.297 20 0 DEADHO CN(C)Cc1cccc(CNC(=O)NCCC[NH+]2CCCC2)c1 ZINC000045121324 354249221 /nfs/dbraw/zinc/24/92/21/354249221.db2.gz KTUWHJUAGVCWJX-UHFFFAOYSA-N 1 3 318.465 2.033 20 0 DEADHO C[NH+](C)C(C)(C)CNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000065857892 354692891 /nfs/dbraw/zinc/69/28/91/354692891.db2.gz NROAHJCDZYUSGN-UHFFFAOYSA-N 1 3 317.477 2.355 20 0 DEADHO CC[NH+](CC)CCSCC(=O)N[C@H](C)CN1CCCCC1 ZINC000072907031 354929640 /nfs/dbraw/zinc/92/96/40/354929640.db2.gz OKQLWPYMEDZOAL-OAHLLOKOSA-N 1 3 315.527 2.052 20 0 DEADHO CCC[NH+]1CCC(NC(=O)NC[C@@H](C)N2CCC(C)CC2)CC1 ZINC000073897756 354990840 /nfs/dbraw/zinc/99/08/40/354990840.db2.gz PNOHQNZEFKIIHD-MRXNPFEDSA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000073489076 191321511 /nfs/dbraw/zinc/32/15/11/191321511.db2.gz APZSYXQQEFVBNC-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO CN(C)C[C@@H](NC(=O)c1cccc2c1CC[NH2+]C2)c1ccccc1 ZINC000392431939 540137540 /nfs/dbraw/zinc/13/75/40/540137540.db2.gz XZSNQBWWLOXZSS-LJQANCHMSA-N 1 3 323.440 2.365 20 0 DEADHO CSc1ccccc1OC[C@@H](O)CN(CCC[NH3+])C(C)C ZINC000415128652 540158903 /nfs/dbraw/zinc/15/89/03/540158903.db2.gz TWKGYWSYHDEPRS-AWEZNQCLSA-N 1 3 312.479 2.207 20 0 DEADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000090525627 355563352 /nfs/dbraw/zinc/56/33/52/355563352.db2.gz FHIRZEOEQNTEJN-FDMITFGQSA-N 1 3 323.525 2.073 20 0 DEADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCN2CCCOCC2)CC1 ZINC000368050966 283119402 /nfs/dbraw/zinc/11/94/02/283119402.db2.gz IZFLDFYGFXQRCF-PKOBYXMFSA-N 1 3 323.525 2.341 20 0 DEADHO Cc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1C ZINC000119660220 355786945 /nfs/dbraw/zinc/78/69/45/355786945.db2.gz KKLCXRYPOQMEQF-UHFFFAOYSA-N 1 3 306.454 2.261 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CCN1C ZINC000341009091 291075387 /nfs/dbraw/zinc/07/53/87/291075387.db2.gz AKGAOCBAWBJMCS-ZFWWWQNUSA-N 1 3 310.486 2.031 20 0 DEADHO CC[C@H](N)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000370763113 283131553 /nfs/dbraw/zinc/13/15/53/283131553.db2.gz FHSZKLNIJRQPIB-PKOBYXMFSA-N 1 3 315.461 2.238 20 0 DEADHO CC[C@H](N)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000370763113 283131555 /nfs/dbraw/zinc/13/15/55/283131555.db2.gz FHSZKLNIJRQPIB-PKOBYXMFSA-N 1 3 315.461 2.238 20 0 DEADHO CCS(=O)(=O)C[C@@H](C)[NH2+]CCCCCN1CCCCC1 ZINC000182961292 356154071 /nfs/dbraw/zinc/15/40/71/356154071.db2.gz JHGUCACJNOQTMB-OAHLLOKOSA-N 1 3 304.500 2.055 20 0 DEADHO CC[NH+](CC)CCOc1ccc(NC(=O)CNC2CC2)cc1 ZINC000236885616 356292327 /nfs/dbraw/zinc/29/23/27/356292327.db2.gz FLJNGXAJTUPSKL-UHFFFAOYSA-N 1 3 305.422 2.098 20 0 DEADHO O=C(CNC1CC1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000237871679 356301148 /nfs/dbraw/zinc/30/11/48/356301148.db2.gz HDIOLOFHKYIXIM-UHFFFAOYSA-N 1 3 315.461 2.431 20 0 DEADHO [NH3+][C@@H](CCC(=O)N1CC[C@@H](N2CCCC2)C1)c1ccccc1 ZINC000237928671 356302561 /nfs/dbraw/zinc/30/25/61/356302561.db2.gz MKQSDDGRXIUPQX-SJORKVTESA-N 1 3 301.434 2.163 20 0 DEADHO CN(C)[C@H](CNC(=O)CC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000314784800 356419620 /nfs/dbraw/zinc/41/96/20/356419620.db2.gz BRLLLVIVWCUGCL-DOTOQJQBSA-N 1 3 303.450 2.185 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000458810468 283181320 /nfs/dbraw/zinc/18/13/20/283181320.db2.gz KVNPPNQTWJXCJB-JKSUJKDBSA-N 1 3 312.502 2.231 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000458810468 283181323 /nfs/dbraw/zinc/18/13/23/283181323.db2.gz KVNPPNQTWJXCJB-JKSUJKDBSA-N 1 3 312.502 2.231 20 0 DEADHO CC[NH+]1CCC(N(C)C(=O)[C@@H](C)[C@H](N)c2ccccc2)CC1 ZINC000236854848 202038625 /nfs/dbraw/zinc/03/86/25/202038625.db2.gz YIHICXKJZSKHKI-YOEHRIQHSA-N 1 3 303.450 2.265 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)c1ccccc1 ZINC000236832597 202031243 /nfs/dbraw/zinc/03/12/43/202031243.db2.gz QHJFLHYIUVOZLA-WMZOPIPTSA-N 1 3 303.450 2.185 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H](C)[C@@H](N)c2ccccc2)C1 ZINC000236861659 202042360 /nfs/dbraw/zinc/04/23/60/202042360.db2.gz JLFWYUIZBNEMED-USXIJHARSA-N 1 3 303.450 2.265 20 0 DEADHO CCN(CC)[C@H](CNC(=O)C1CC[NH2+]CC1)c1ccccc1 ZINC000236874122 202046519 /nfs/dbraw/zinc/04/65/19/202046519.db2.gz IYMFVSDSMFNMMP-QGZVFWFLSA-N 1 3 303.450 2.185 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000360804647 283181804 /nfs/dbraw/zinc/18/18/04/283181804.db2.gz YFIFKFVCFRNDIX-JYJNAYRXSA-N 1 3 312.502 2.088 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000360804647 283181805 /nfs/dbraw/zinc/18/18/05/283181805.db2.gz YFIFKFVCFRNDIX-JYJNAYRXSA-N 1 3 312.502 2.088 20 0 DEADHO CCC[C@@H](N)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000236935902 202080402 /nfs/dbraw/zinc/08/04/02/202080402.db2.gz SHXXJROPMAMQKI-QGZVFWFLSA-N 1 3 303.450 2.203 20 0 DEADHO CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000236941713 202084341 /nfs/dbraw/zinc/08/43/41/202084341.db2.gz QDHCWMXNJJLVBZ-IPYPFGDCSA-N 1 3 309.479 2.375 20 0 DEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](N)CCSC)C1 ZINC000236917663 202070499 /nfs/dbraw/zinc/07/04/99/202070499.db2.gz NDYMIVYSQMKZME-KGLIPLIRSA-N 1 3 315.527 2.084 20 0 DEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](N)CCSC)C1 ZINC000236917663 202070501 /nfs/dbraw/zinc/07/05/01/202070501.db2.gz NDYMIVYSQMKZME-KGLIPLIRSA-N 1 3 315.527 2.084 20 0 DEADHO CCC[C@@H](N)C(=O)NC[C@H](Cc1ccccc1)[NH+](CC)CC ZINC000236959461 202093843 /nfs/dbraw/zinc/09/38/43/202093843.db2.gz GYWWPZKGTIDUAT-DLBZAZTESA-N 1 3 305.466 2.183 20 0 DEADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000387421551 356703967 /nfs/dbraw/zinc/70/39/67/356703967.db2.gz GFRZMIDYUQIBQZ-HOTGVXAUSA-N 1 3 305.466 2.430 20 0 DEADHO COC(=O)c1ccc(CNCC2(C)CC[NH+](C)CC2)cc1F ZINC000389034744 356707058 /nfs/dbraw/zinc/70/70/58/356707058.db2.gz PKKFMNVKVSUFMY-UHFFFAOYSA-N 1 3 308.397 2.434 20 0 DEADHO CC(C)(C)C(=O)N1CCC([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000393407725 356713134 /nfs/dbraw/zinc/71/31/34/356713134.db2.gz WPLOHGAFVWISED-HOTGVXAUSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)(C)C(=O)N1CCC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000393407725 356713140 /nfs/dbraw/zinc/71/31/40/356713140.db2.gz WPLOHGAFVWISED-HOTGVXAUSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)(C)C(=O)N1CCC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000393407725 356713144 /nfs/dbraw/zinc/71/31/44/356713144.db2.gz WPLOHGAFVWISED-HOTGVXAUSA-N 1 3 307.482 2.240 20 0 DEADHO c1ccc(NCCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000578348223 356802405 /nfs/dbraw/zinc/80/24/05/356802405.db2.gz ZFOBCSIQFQBINN-LPHOPBHVSA-N 1 3 324.428 2.339 20 0 DEADHO CN(C)CCOc1ccc(NC(=O)c2ccc(C[NH3+])cc2)cc1 ZINC000237199154 202187104 /nfs/dbraw/zinc/18/71/04/202187104.db2.gz CUGZUHFHTTZNGR-UHFFFAOYSA-N 1 3 313.401 2.338 20 0 DEADHO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H](C)C1=CCN(C)CC1 ZINC000578742061 356865388 /nfs/dbraw/zinc/86/53/88/356865388.db2.gz WSJLCVHTIIDARG-FUHWJXTLSA-N 1 3 318.461 2.283 20 0 DEADHO C[C@@H](CNC(=O)[C@@H]1CNCc2ccccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000579586297 356998869 /nfs/dbraw/zinc/99/88/69/356998869.db2.gz INIPFZPWRAWPPB-RVKKMQEKSA-N 1 3 315.461 2.110 20 0 DEADHO C[C@@H](CNC(=O)[C@@H]1CNCc2ccccc21)[N@H+]1CCC[C@@H](C)C1 ZINC000579586297 356998871 /nfs/dbraw/zinc/99/88/71/356998871.db2.gz INIPFZPWRAWPPB-RVKKMQEKSA-N 1 3 315.461 2.110 20 0 DEADHO Cn1cc([C@H](N[C@H]2CC[C@@H](C[NH3+])C2)c2cccc(F)c2)cn1 ZINC000579825507 357036204 /nfs/dbraw/zinc/03/62/04/357036204.db2.gz IWIQMEJDBLEIKY-OAUYIBNBSA-N 1 3 302.397 2.366 20 0 DEADHO CN1CC[C@@H]2CCN(C(=O)CC[C@H]([NH3+])c3ccccc3)[C@@H]2C1 ZINC000579829527 357038444 /nfs/dbraw/zinc/03/84/44/357038444.db2.gz OQOCEOUXQQBXGQ-IXDOHACOSA-N 1 3 301.434 2.019 20 0 DEADHO [NH3+]Cc1ccc(CNCc2ccccc2N2CCOCC2)cc1 ZINC000581191163 357146023 /nfs/dbraw/zinc/14/60/23/357146023.db2.gz MYXYDXSGPZFTMH-UHFFFAOYSA-N 1 3 311.429 2.272 20 0 DEADHO CCC[N@H+](CCN1CCN(CC)CC1)C[C@H]1CCC(C)(C)O1 ZINC000344130941 283260160 /nfs/dbraw/zinc/26/01/60/283260160.db2.gz IORGURVKZCOGJR-QGZVFWFLSA-N 1 3 311.514 2.294 20 0 DEADHO CCC[N@@H+](CCN1CCN(CC)CC1)C[C@H]1CCC(C)(C)O1 ZINC000344130941 283260161 /nfs/dbraw/zinc/26/01/61/283260161.db2.gz IORGURVKZCOGJR-QGZVFWFLSA-N 1 3 311.514 2.294 20 0 DEADHO FC(F)(F)CN1CCC([NH2+][C@H]2CCNC3(CCC3)C2)CC1 ZINC000666995703 540377174 /nfs/dbraw/zinc/37/71/74/540377174.db2.gz WWYNLABQZUHCGD-ZDUSSCGKSA-N 1 3 305.388 2.277 20 0 DEADHO FC(F)(F)CN1CCC(N[C@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC000666995703 540377178 /nfs/dbraw/zinc/37/71/78/540377178.db2.gz WWYNLABQZUHCGD-ZDUSSCGKSA-N 1 3 305.388 2.277 20 0 DEADHO C[C@H](N)CC[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496051316 283356391 /nfs/dbraw/zinc/35/63/91/283356391.db2.gz UZEXTDPLXMNBOY-GJZGRUSLSA-N 1 3 305.422 2.367 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1N[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496078172 283359079 /nfs/dbraw/zinc/35/90/79/283359079.db2.gz ZQUVFGSFPBSPCN-QPSCCSFWSA-N 1 3 311.470 2.314 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1N[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496078172 283359083 /nfs/dbraw/zinc/35/90/83/283359083.db2.gz ZQUVFGSFPBSPCN-QPSCCSFWSA-N 1 3 311.470 2.314 20 0 DEADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNCC1=CCCOC1 ZINC000180985419 199236757 /nfs/dbraw/zinc/23/67/57/199236757.db2.gz KCIAWWFHFURHPX-LJQANCHMSA-N 1 3 316.445 2.080 20 0 DEADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNCC1=CCCOC1 ZINC000180985419 199236759 /nfs/dbraw/zinc/23/67/59/199236759.db2.gz KCIAWWFHFURHPX-LJQANCHMSA-N 1 3 316.445 2.080 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCC1(C)C ZINC000667811009 540532459 /nfs/dbraw/zinc/53/24/59/540532459.db2.gz ACGRZXRHHMGFBV-CVEARBPZSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCC1(C)C ZINC000667811009 540532462 /nfs/dbraw/zinc/53/24/62/540532462.db2.gz ACGRZXRHHMGFBV-CVEARBPZSA-N 1 3 309.498 2.297 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(C2CC2)cc1 ZINC000668302607 540642631 /nfs/dbraw/zinc/64/26/31/540642631.db2.gz LLDKPWZVPZDDDV-UHFFFAOYSA-N 1 3 303.450 2.129 20 0 DEADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2(N)CC2)cc1 ZINC000237523857 202270912 /nfs/dbraw/zinc/27/09/12/202270912.db2.gz YBURCPRZSXPXCE-AWEZNQCLSA-N 1 3 301.434 2.169 20 0 DEADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2(N)CC2)cc1 ZINC000237523857 202270915 /nfs/dbraw/zinc/27/09/15/202270915.db2.gz YBURCPRZSXPXCE-AWEZNQCLSA-N 1 3 301.434 2.169 20 0 DEADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(C)(C)N)C1 ZINC000237553658 202280666 /nfs/dbraw/zinc/28/06/66/202280666.db2.gz UUUZVTISTALDBM-CQSZACIVSA-N 1 3 303.450 2.272 20 0 DEADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C(C)(C)N)C1 ZINC000237553658 202280668 /nfs/dbraw/zinc/28/06/68/202280668.db2.gz UUUZVTISTALDBM-CQSZACIVSA-N 1 3 303.450 2.272 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H](CN)c2ccccc2)C1 ZINC000237552036 202280700 /nfs/dbraw/zinc/28/07/00/202280700.db2.gz TWPDPELPGSGECM-NUJGCVRESA-N 1 3 317.477 2.213 20 0 DEADHO C[C@@]1(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CCC[NH2+]C1 ZINC000237586241 202292610 /nfs/dbraw/zinc/29/26/10/202292610.db2.gz ZRJBSINTNINQSB-PKOBYXMFSA-N 1 3 315.461 2.157 20 0 DEADHO C[C@@]1(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCC[NH2+]C1 ZINC000237588220 202295042 /nfs/dbraw/zinc/29/50/42/202295042.db2.gz XPPJVAYWWRTXKV-PKOBYXMFSA-N 1 3 315.461 2.329 20 0 DEADHO N[C@H](CC(=O)N1CCC([NH2+]CC2CC2)CC1)c1ccccc1 ZINC000237835376 202366124 /nfs/dbraw/zinc/36/61/24/202366124.db2.gz KGCGLQJBXIDSQT-QGZVFWFLSA-N 1 3 301.434 2.067 20 0 DEADHO C[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1cccc(OCCN(C)C)c1 ZINC000189294494 200377816 /nfs/dbraw/zinc/37/78/16/200377816.db2.gz VOIHRIACVLUIPJ-ZOBUZTSGSA-N 1 3 306.450 2.439 20 0 DEADHO CSC[C@H](O)C[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000601965866 360211534 /nfs/dbraw/zinc/21/15/34/360211534.db2.gz AWFCKFUSHAQFEZ-BHYGNILZSA-N 1 3 308.491 2.068 20 0 DEADHO CSC[C@H](O)CNC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000601965866 360211539 /nfs/dbraw/zinc/21/15/39/360211539.db2.gz AWFCKFUSHAQFEZ-BHYGNILZSA-N 1 3 308.491 2.068 20 0 DEADHO CSC[C@H](O)CNC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000601965866 360211544 /nfs/dbraw/zinc/21/15/44/360211544.db2.gz AWFCKFUSHAQFEZ-BHYGNILZSA-N 1 3 308.491 2.068 20 0 DEADHO Cc1ccccc1CNC(=O)[C@@H](C)N1CCC[C@H](CC[NH3+])C1 ZINC000443060615 238100671 /nfs/dbraw/zinc/10/06/71/238100671.db2.gz PIKXYWLEPZGUKT-HZPDHXFCSA-N 1 3 303.450 2.061 20 0 DEADHO [NH3+]CC[C@@H]1CCCN(CC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000443060425 238102222 /nfs/dbraw/zinc/10/22/22/238102222.db2.gz PGNJRMUNDPBNOF-YJBOKZPZSA-N 1 3 315.461 2.241 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)C1CC[NH+](C)CC1)N1CCCCC1 ZINC000603315814 360789481 /nfs/dbraw/zinc/78/94/81/360789481.db2.gz BMVAIOWDUPAHHI-WBVHZDCISA-N 1 3 309.498 2.343 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)N[C@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000669418930 540829567 /nfs/dbraw/zinc/82/95/67/540829567.db2.gz ILGGHANPMWQQJM-DLBZAZTESA-N 1 3 318.465 2.039 20 0 DEADHO C[C@@H](CNC(=O)N1CCC(C)([NH3+])CC1)N(C)Cc1ccccc1 ZINC000669474152 540840371 /nfs/dbraw/zinc/84/03/71/540840371.db2.gz HVFYBFTYRSUHFV-HNNXBMFYSA-N 1 3 318.465 2.030 20 0 DEADHO CC1(C)CCCN[C@@H]1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669519689 540850698 /nfs/dbraw/zinc/85/06/98/540850698.db2.gz OJBBIWMHOVTMNN-ARFHVFGLSA-N 1 3 307.482 2.003 20 0 DEADHO CN(CCCC[NH+](C)C)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000607033956 361063566 /nfs/dbraw/zinc/06/35/66/361063566.db2.gz YNQWBTKPKHDZEU-SFHVURJKSA-N 1 3 317.477 2.451 20 0 DEADHO Cn1cc(CNC2CCC([N@H+](C)Cc3ccccc3)CC2)nn1 ZINC000671760301 541008523 /nfs/dbraw/zinc/00/85/23/541008523.db2.gz SZTNLGISXPRPBP-UHFFFAOYSA-N 1 3 313.449 2.348 20 0 DEADHO Cn1cc(CNC2CCC([N@@H+](C)Cc3ccccc3)CC2)nn1 ZINC000671760301 541008526 /nfs/dbraw/zinc/00/85/26/541008526.db2.gz SZTNLGISXPRPBP-UHFFFAOYSA-N 1 3 313.449 2.348 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000608167767 361181284 /nfs/dbraw/zinc/18/12/84/361181284.db2.gz SBRSZXJULAVMHX-KRWDZBQOSA-N 1 3 303.450 2.061 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000608167767 361181292 /nfs/dbraw/zinc/18/12/92/361181292.db2.gz SBRSZXJULAVMHX-KRWDZBQOSA-N 1 3 303.450 2.061 20 0 DEADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)CC[C@@H](C)[NH3+] ZINC000193321824 201029578 /nfs/dbraw/zinc/02/95/78/201029578.db2.gz PQZYILIFCZXFOY-AEFFLSMTSA-N 1 3 317.477 2.484 20 0 DEADHO CN(Cc1cnc(C2CC2)o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000628279153 366791217 /nfs/dbraw/zinc/79/12/17/366791217.db2.gz XNGWWTDPKGQFIQ-INIZCTEOSA-N 1 3 318.465 2.152 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnc(C2CC2)o1 ZINC000628278482 366791302 /nfs/dbraw/zinc/79/13/02/366791302.db2.gz RYPWVKYXKKKPEY-INIZCTEOSA-N 1 3 320.481 2.400 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnc(C2CC2)o1 ZINC000628278482 366791310 /nfs/dbraw/zinc/79/13/10/366791310.db2.gz RYPWVKYXKKKPEY-INIZCTEOSA-N 1 3 320.481 2.400 20 0 DEADHO NC[C@H](NC(=O)C1(C[NH3+])CCCC1)c1ccc2ccccc2c1 ZINC000447453921 238971287 /nfs/dbraw/zinc/97/12/87/238971287.db2.gz WXFAHBZMHKRGDQ-KRWDZBQOSA-N 1 3 311.429 2.475 20 0 DEADHO CCCN1CC[C@@H](NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000619903240 363900487 /nfs/dbraw/zinc/90/04/87/363900487.db2.gz YNVGLLNVYPYFGG-SJORKVTESA-N 1 3 303.450 2.280 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](CC)CN2CCCC2)C1 ZINC000675197584 541302551 /nfs/dbraw/zinc/30/25/51/541302551.db2.gz PLALNHRKYAHOJK-IAGOWNOFSA-N 1 3 324.513 2.234 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H](CC)CN2CCCC2)C1 ZINC000675197584 541302557 /nfs/dbraw/zinc/30/25/57/541302557.db2.gz PLALNHRKYAHOJK-IAGOWNOFSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H](C(=O)NCC1CC[NH+](CC2CC2)CC1)N1[C@H](C)CC[C@H]1C ZINC000620930890 364205689 /nfs/dbraw/zinc/20/56/89/364205689.db2.gz ZNSGDKFVTIKKOO-OAGGEKHMSA-N 1 3 321.509 2.486 20 0 DEADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)c2cccc(-n3cnnn3)c2)C1 ZINC000675765308 541380516 /nfs/dbraw/zinc/38/05/16/541380516.db2.gz BPKRLZLELQTSLI-HUUCEWRRSA-N 1 3 314.437 2.045 20 0 DEADHO CCC[N@H+]1CC[C@H](CN[C@H](C)c2cccc(-n3cnnn3)c2)C1 ZINC000675765308 541380520 /nfs/dbraw/zinc/38/05/20/541380520.db2.gz BPKRLZLELQTSLI-HUUCEWRRSA-N 1 3 314.437 2.045 20 0 DEADHO CCCN1CC[C@H](C[NH2+][C@H](C)c2cccc(-n3cnnn3)c2)C1 ZINC000675765308 541380523 /nfs/dbraw/zinc/38/05/23/541380523.db2.gz BPKRLZLELQTSLI-HUUCEWRRSA-N 1 3 314.437 2.045 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000623058116 364871289 /nfs/dbraw/zinc/87/12/89/364871289.db2.gz QXKITOCYEZBYCB-DZGCQCFKSA-N 1 3 304.438 2.339 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000623067537 364873970 /nfs/dbraw/zinc/87/39/70/364873970.db2.gz HXYBIHUKVQVUEM-ZMSDIMECSA-N 1 3 316.449 2.258 20 0 DEADHO CN(C)CCN(C)CCC[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000623088168 364880936 /nfs/dbraw/zinc/88/09/36/364880936.db2.gz YGDVMOHIKOBOOU-INIZCTEOSA-N 1 3 305.466 2.026 20 0 DEADHO CN(C)CCN(C)CCC[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000623088090 364881893 /nfs/dbraw/zinc/88/18/93/364881893.db2.gz WALMNGASBIMKGZ-XQRVVYSFSA-N 1 3 311.420 2.451 20 0 DEADHO Cc1cc(C)c(NC(=O)CCCN2C[C@H]3C[NH2+]C[C@@H]3C2)c(C)c1 ZINC000675953518 541398083 /nfs/dbraw/zinc/39/80/83/541398083.db2.gz LWLJGNSMKPPWJJ-IAGOWNOFSA-N 1 3 315.461 2.482 20 0 DEADHO C[C@@H]1C[N@H+](CCCNCc2cccc3n[nH]cc32)CCCO1 ZINC000623507778 365055564 /nfs/dbraw/zinc/05/55/64/365055564.db2.gz ZLLAAIQUILIPTP-CQSZACIVSA-N 1 3 302.422 2.153 20 0 DEADHO C[C@@H]1C[N@@H+](CCCNCc2cccc3n[nH]cc32)CCCO1 ZINC000623507778 365055568 /nfs/dbraw/zinc/05/55/68/365055568.db2.gz ZLLAAIQUILIPTP-CQSZACIVSA-N 1 3 302.422 2.153 20 0 DEADHO CN1CCCC[C@H](C[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000623656798 365120678 /nfs/dbraw/zinc/12/06/78/365120678.db2.gz BZBMLTFMXAOKOX-CQSZACIVSA-N 1 3 308.495 2.433 20 0 DEADHO O[C@H](CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)COCc1ccccc1 ZINC000623828411 365187529 /nfs/dbraw/zinc/18/75/29/365187529.db2.gz XWYRCWYSNHQAOU-GUDVDZBRSA-N 1 3 318.461 2.171 20 0 DEADHO O[C@H](CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)COCc1ccccc1 ZINC000623828411 365187537 /nfs/dbraw/zinc/18/75/37/365187537.db2.gz XWYRCWYSNHQAOU-GUDVDZBRSA-N 1 3 318.461 2.171 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624377086 365401556 /nfs/dbraw/zinc/40/15/56/365401556.db2.gz KEUGNIVTYWPVRX-IAGOWNOFSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624377086 365401561 /nfs/dbraw/zinc/40/15/61/365401561.db2.gz KEUGNIVTYWPVRX-IAGOWNOFSA-N 1 3 324.513 2.138 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2C[C@H](C)C[C@@H](O)C2)CC1 ZINC000449770574 241062452 /nfs/dbraw/zinc/06/24/52/241062452.db2.gz WZZIPVDCAYNNQE-SJLPKXTDSA-N 1 3 317.477 2.031 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2C[C@H](C)C[C@@H](O)C2)CC1 ZINC000449770574 241062457 /nfs/dbraw/zinc/06/24/57/241062457.db2.gz WZZIPVDCAYNNQE-SJLPKXTDSA-N 1 3 317.477 2.031 20 0 DEADHO c1c(CN[C@@H]2CC[C@@H](c3ccccc3)C2)nnn1[C@H]1CC[NH2+]C1 ZINC000629550105 367245031 /nfs/dbraw/zinc/24/50/31/367245031.db2.gz MFVHEXCMSFJINO-NUJGCVRESA-N 1 3 311.433 2.238 20 0 DEADHO O[C@H](C[NH2+]CCSc1ccc(Cl)cc1)CN1CCCC1 ZINC000629554989 367247528 /nfs/dbraw/zinc/24/75/28/367247528.db2.gz LEQQURQMQBTDSU-CQSZACIVSA-N 1 3 314.882 2.478 20 0 DEADHO COc1ccc(C(C)(C)CNC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000629558997 367251338 /nfs/dbraw/zinc/25/13/38/367251338.db2.gz OUSAOEFMGITGHJ-MRXNPFEDSA-N 1 3 306.450 2.019 20 0 DEADHO COCc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)o1 ZINC000629650601 367285239 /nfs/dbraw/zinc/28/52/39/367285239.db2.gz XTGHKRVAVDJCLA-XYPHTWIQSA-N 1 3 308.422 2.287 20 0 DEADHO CCO[C@H](CC[NH+](C)C)CNCc1cccc(NC(C)=O)c1 ZINC000631086550 368008864 /nfs/dbraw/zinc/00/88/64/368008864.db2.gz APNSSOUIBYTJQD-QGZVFWFLSA-N 1 3 307.438 2.091 20 0 DEADHO CCO[C@@H](CC[NH+](C)C)CNCc1cccc(NC(C)=O)c1 ZINC000631086548 368009087 /nfs/dbraw/zinc/00/90/87/368009087.db2.gz APNSSOUIBYTJQD-KRWDZBQOSA-N 1 3 307.438 2.091 20 0 DEADHO COc1cc(C[N@H+](C)C[C@@H]2CCCN(C)C2)cc2c1OCO2 ZINC000092253350 193181340 /nfs/dbraw/zinc/18/13/40/193181340.db2.gz PPKCZCOUDJIGBW-CYBMUJFWSA-N 1 3 306.406 2.198 20 0 DEADHO COc1cc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)cc2c1OCO2 ZINC000092253350 193181342 /nfs/dbraw/zinc/18/13/42/193181342.db2.gz PPKCZCOUDJIGBW-CYBMUJFWSA-N 1 3 306.406 2.198 20 0 DEADHO C[C@@H](NCC1(O)CC[NH+](C)CC1)c1ccccc1OC(F)F ZINC000268962833 296119187 /nfs/dbraw/zinc/11/91/87/296119187.db2.gz GBPYNWISYVFNQL-GFCCVEGCSA-N 1 3 314.376 2.395 20 0 DEADHO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000261532962 203075901 /nfs/dbraw/zinc/07/59/01/203075901.db2.gz ASIZQAIIMLPWDE-KZNAEPCWSA-N 1 3 315.461 2.285 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)N(CC)CC ZINC000261620117 203081196 /nfs/dbraw/zinc/08/11/96/203081196.db2.gz CXUGDNBDVMIHQC-SQNIBIBYSA-N 1 3 317.477 2.308 20 0 DEADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H]1CCC[NH2+]1 ZINC000261707158 203098652 /nfs/dbraw/zinc/09/86/52/203098652.db2.gz MCYWCVOVWFCENF-QZTJIDSGSA-N 1 3 315.461 2.109 20 0 DEADHO NC[C@@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000261820271 203124738 /nfs/dbraw/zinc/12/47/38/203124738.db2.gz WNNCYXRVCJBUMA-GOSISDBHSA-N 1 3 315.461 2.206 20 0 DEADHO [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000261823889 203126594 /nfs/dbraw/zinc/12/65/94/203126594.db2.gz SWRUPCDAUOKHRP-KZNAEPCWSA-N 1 3 315.461 2.315 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001369419583 1148963734 /nfs/dbraw/zinc/96/37/34/1148963734.db2.gz KLVKMDDTLFXDIW-HZPDHXFCSA-N 1 3 311.514 2.495 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@H]2CC[C@H]([NH3+])C2)N(C)C)cc1 ZINC000262655753 203366624 /nfs/dbraw/zinc/36/66/24/203366624.db2.gz UIRYAGQBAMDIDG-ULQDDVLXSA-N 1 3 303.450 2.095 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccccc2N(C)C)CC1 ZINC000093942392 193331439 /nfs/dbraw/zinc/33/14/39/193331439.db2.gz BXRROUUIMSWBKG-SJORKVTESA-N 1 3 318.509 2.429 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H]2CC[C@H](C)O2)CC1 ZINC000453636728 245230916 /nfs/dbraw/zinc/23/09/16/245230916.db2.gz XHDYEEOFIYRKQE-FUHWJXTLSA-N 1 3 317.477 2.486 20 0 DEADHO CN(C)C/C=C/C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000264672455 204070063 /nfs/dbraw/zinc/07/00/63/204070063.db2.gz YVHKNTKIMGDZAJ-JXMROGBWSA-N 1 3 301.434 2.016 20 0 DEADHO C[C@@H]1CCN(C(=O)/C=C/C[NH+](C)C)CCN1Cc1ccccc1 ZINC000266372798 205300453 /nfs/dbraw/zinc/30/04/53/205300453.db2.gz VIJAJVNRHPGZBD-PYUISTEWSA-N 1 3 315.461 2.227 20 0 DEADHO C[C@@H](CCC[NH3+])N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000530222667 284377656 /nfs/dbraw/zinc/37/76/56/284377656.db2.gz SUXDVFJMBPRDGI-GWCFXTLKSA-N 1 3 313.804 2.301 20 0 DEADHO Cc1cc(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)ccc1OCCN(C)C ZINC000458192762 248194652 /nfs/dbraw/zinc/19/46/52/248194652.db2.gz BXCLJGAEVXZJFT-GOEBONIOSA-N 1 3 319.449 2.072 20 0 DEADHO Cc1cc(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)ccc1OCCN(C)C ZINC000458192762 248194655 /nfs/dbraw/zinc/19/46/55/248194655.db2.gz BXCLJGAEVXZJFT-GOEBONIOSA-N 1 3 319.449 2.072 20 0 DEADHO CC(C)N1CC[C@@H](N(C)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000458327561 248264033 /nfs/dbraw/zinc/26/40/33/248264033.db2.gz JYYRXKMBCLQIDD-IAGOWNOFSA-N 1 3 324.513 2.231 20 0 DEADHO CC(C)N1CC[C@@H](N(C)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000458327561 248264037 /nfs/dbraw/zinc/26/40/37/248264037.db2.gz JYYRXKMBCLQIDD-IAGOWNOFSA-N 1 3 324.513 2.231 20 0 DEADHO CC1CC[NH+](C2CCC(NC(=O)/C=C\CN(C)C)CC2)CC1 ZINC000492239500 249021768 /nfs/dbraw/zinc/02/17/68/249021768.db2.gz NZIYBJMWKJSQJG-PLNGDYQASA-N 1 3 307.482 2.264 20 0 DEADHO CN1CCC(O)(C[NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000284372760 218001634 /nfs/dbraw/zinc/00/16/34/218001634.db2.gz OJNVCOLKZNVADE-DLBZAZTESA-N 1 3 318.461 2.279 20 0 DEADHO CN(C)[C@@H](CNC(=O)N1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000105075212 194069424 /nfs/dbraw/zinc/06/94/24/194069424.db2.gz UWTFXDSVZYVGKZ-IRXDYDNUSA-N 1 3 318.465 2.025 20 0 DEADHO CN1CCN(CC[NH2+][C@@H]2CCCc3ccc(O)cc32)CC1(C)C ZINC000284889987 218222743 /nfs/dbraw/zinc/22/27/43/218222743.db2.gz BSSAODGCSMCLGA-GOSISDBHSA-N 1 3 317.477 2.385 20 0 DEADHO CC[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)C1CC1 ZINC000268835813 207000900 /nfs/dbraw/zinc/00/09/00/207000900.db2.gz UIAPNHIHKFGWTR-SFHVURJKSA-N 1 3 302.466 2.372 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)/C=C\CN(C)C)C1 ZINC000491869216 296312278 /nfs/dbraw/zinc/31/22/78/296312278.db2.gz MRKQMKKYXVSZPS-XKJZPFPASA-N 1 3 307.482 2.217 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)/C=C\CN(C)C)C1 ZINC000491869216 296312280 /nfs/dbraw/zinc/31/22/80/296312280.db2.gz MRKQMKKYXVSZPS-XKJZPFPASA-N 1 3 307.482 2.217 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CCc2ccc(OCCN(C)C)cc2)CCN1C ZINC000268850169 207018488 /nfs/dbraw/zinc/01/84/88/207018488.db2.gz FTJXGHXPDHLQAU-SJLPKXTDSA-N 1 3 319.493 2.242 20 0 DEADHO CN(C)CCOCC[NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000682615271 542329735 /nfs/dbraw/zinc/32/97/35/542329735.db2.gz CRBKGBBPGXCQKV-SFHVURJKSA-N 1 3 319.493 2.207 20 0 DEADHO C[C@@H]1CCCC[C@@H]1OCCN1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420324250 296344498 /nfs/dbraw/zinc/34/44/98/296344498.db2.gz HFHFUFXTQGMGKN-ZACQAIPSSA-N 1 3 310.482 2.269 20 0 DEADHO CCN(C[C@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1)CC(F)(F)F ZINC000347002721 285090145 /nfs/dbraw/zinc/09/01/45/285090145.db2.gz JOQFDHZYIWQBGG-ZIAGYGMSSA-N 1 3 307.404 2.192 20 0 DEADHO CCN(C[C@H]1CC[N@H+](C[C@@H]2CCCNC2)C1)CC(F)(F)F ZINC000347002721 285090148 /nfs/dbraw/zinc/09/01/48/285090148.db2.gz JOQFDHZYIWQBGG-ZIAGYGMSSA-N 1 3 307.404 2.192 20 0 DEADHO CCN(C[C@H]1CC[N@@H+](C[C@@H]2CCCNC2)C1)CC(F)(F)F ZINC000347002721 285090150 /nfs/dbraw/zinc/09/01/50/285090150.db2.gz JOQFDHZYIWQBGG-ZIAGYGMSSA-N 1 3 307.404 2.192 20 0 DEADHO CC[NH+](CC)Cc1cccc(CN[C@@H]2CCCN(C)C2=O)c1 ZINC000539807037 285093103 /nfs/dbraw/zinc/09/31/03/285093103.db2.gz OSNKSNGBQNSYCV-QGZVFWFLSA-N 1 3 303.450 2.239 20 0 DEADHO C[C@@H](NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)C1=CCN(C)CC1 ZINC000541893523 285197906 /nfs/dbraw/zinc/19/79/06/285197906.db2.gz AKXHOJPCBUPHAD-OAHLLOKOSA-N 1 3 322.497 2.153 20 0 DEADHO C[C@@H](NC(=O)N1CCC[N@H+](C(C)(C)C)CC1)C1=CCN(C)CC1 ZINC000541893523 285197909 /nfs/dbraw/zinc/19/79/09/285197909.db2.gz AKXHOJPCBUPHAD-OAHLLOKOSA-N 1 3 322.497 2.153 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000120363654 285203907 /nfs/dbraw/zinc/20/39/07/285203907.db2.gz DIEFTQOYMDZTLN-IRXDYDNUSA-N 1 3 324.513 2.138 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000120363654 285203911 /nfs/dbraw/zinc/20/39/11/285203911.db2.gz DIEFTQOYMDZTLN-IRXDYDNUSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000120336278 195146633 /nfs/dbraw/zinc/14/66/33/195146633.db2.gz MWUIDVDQGGBZMF-ZBFHGGJFSA-N 1 3 324.513 2.231 20 0 DEADHO CCN1CCCN(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000428701108 285210781 /nfs/dbraw/zinc/21/07/81/285210781.db2.gz QASGRPZYZRXJKW-AEFFLSMTSA-N 1 3 324.513 2.234 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@H]1C ZINC000337885682 285245376 /nfs/dbraw/zinc/24/53/76/285245376.db2.gz VTXSCRWVQQUPMU-BRWVUGGUSA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@H]1C ZINC000337885682 285245379 /nfs/dbraw/zinc/24/53/79/285245379.db2.gz VTXSCRWVQQUPMU-BRWVUGGUSA-N 1 3 324.513 2.233 20 0 DEADHO COc1ccc([C@H](NC[C@H]2CCCN2C)[C@H]2CCC[NH2+]2)cc1 ZINC000422907649 533196785 /nfs/dbraw/zinc/19/67/85/533196785.db2.gz XIRYQJLJXLGOKS-NXHRZFHOSA-N 1 3 303.450 2.172 20 0 DEADHO C[C@H]([NH2+]CCc1cn[nH]c1)c1ccc(OCCN(C)C)cc1 ZINC000289661648 221136776 /nfs/dbraw/zinc/13/67/76/221136776.db2.gz GSLDAPQLURCJAL-AWEZNQCLSA-N 1 3 302.422 2.243 20 0 DEADHO C[C@@H](NCC1(N2CCSCC2)CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000422847342 533361981 /nfs/dbraw/zinc/36/19/81/533361981.db2.gz RGIKBPWPNYTEMN-CVEARBPZSA-N 1 3 311.539 2.468 20 0 DEADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1cnccc1N ZINC000422899037 533456449 /nfs/dbraw/zinc/45/64/49/533456449.db2.gz NKCGTYISAXPPPS-CQSZACIVSA-N 1 3 314.433 2.285 20 0 DEADHO C[C@@H](NC[C@H]1CC(=O)N(Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423015779 533432505 /nfs/dbraw/zinc/43/25/05/533432505.db2.gz RSFTVUDYLVKWBO-KBAYOESNSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H](NC(=O)N1CC[C@](C)(C[NH3+])C1)[C@H](c1ccccc1)N(C)C ZINC000418192807 533609861 /nfs/dbraw/zinc/60/98/61/533609861.db2.gz YVGNTQZDTXPTIZ-YXJHDRRASA-N 1 3 318.465 2.058 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+][C@@H](CO)CC2CCC2)cc1 ZINC000684423847 542604820 /nfs/dbraw/zinc/60/48/20/542604820.db2.gz VYFPPFWKTWFANV-QGZVFWFLSA-N 1 3 306.450 2.268 20 0 DEADHO CC(C)[C@@H](C(=O)NCC12CCC[NH+]1CCC2)N1CCCCC1 ZINC000684848052 542675772 /nfs/dbraw/zinc/67/57/72/542675772.db2.gz BIYUAJZXYQOHEY-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)O[C@H]1C[C@H]([NH2+]CCCCN2CCN(C)CC2)C1(C)C ZINC000546614233 285504058 /nfs/dbraw/zinc/50/40/58/285504058.db2.gz LXWLJAJCFBWUCL-IRXDYDNUSA-N 1 3 311.514 2.196 20 0 DEADHO CN1CCC(N2CC[C@H]([NH2+]CC3Cc4ccccc4C3)C2)CC1 ZINC000685841396 542758871 /nfs/dbraw/zinc/75/88/71/542758871.db2.gz RXXOXHIUYNMTJB-IBGZPJMESA-N 1 3 313.489 2.160 20 0 DEADHO C[C@@H](C1CC1)N(C(=O)CN1CCC(CC[NH+](C)C)CC1)C1CC1 ZINC000357876537 133106688 /nfs/dbraw/zinc/10/66/88/133106688.db2.gz XXRGRLMXIBRGTP-HNNXBMFYSA-N 1 3 321.509 2.440 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000357996005 133114488 /nfs/dbraw/zinc/11/44/88/133114488.db2.gz WBXJSXQASNMRCW-HOTGVXAUSA-N 1 3 312.502 2.280 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000357996005 133114489 /nfs/dbraw/zinc/11/44/89/133114489.db2.gz WBXJSXQASNMRCW-HOTGVXAUSA-N 1 3 312.502 2.280 20 0 DEADHO O=C(C1CCC1)N(CCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000358082611 133119716 /nfs/dbraw/zinc/11/97/16/133119716.db2.gz JOIGFWZWGMEJGZ-AEFFLSMTSA-N 1 3 319.493 2.384 20 0 DEADHO O=C(C1CCC1)N(CCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000358082611 133119717 /nfs/dbraw/zinc/11/97/17/133119717.db2.gz JOIGFWZWGMEJGZ-AEFFLSMTSA-N 1 3 319.493 2.384 20 0 DEADHO C[C@@H](NC(=O)NC[C@H](C)[NH+]1CCC(C)CC1)C1=CCN(C)CC1 ZINC000358101085 133120854 /nfs/dbraw/zinc/12/08/54/133120854.db2.gz QSRFFPIGEMMQAT-JKSUJKDBSA-N 1 3 322.497 2.056 20 0 DEADHO C[C@@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000376330246 133290922 /nfs/dbraw/zinc/29/09/22/133290922.db2.gz CENJDVGVXPYESE-IRXDYDNUSA-N 1 3 317.477 2.403 20 0 DEADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc(CN(C)C)c1 ZINC000376394151 133292797 /nfs/dbraw/zinc/29/27/97/133292797.db2.gz FTMJDBAUSBVYMB-YJBOKZPZSA-N 1 3 315.461 2.447 20 0 DEADHO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000269041465 285576262 /nfs/dbraw/zinc/57/62/62/285576262.db2.gz GPHCHMHKKPFWJC-GJZGRUSLSA-N 1 3 306.450 2.156 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@H]2CC[NH2+][C@H]2C)CC1 ZINC000563072518 292029597 /nfs/dbraw/zinc/02/95/97/292029597.db2.gz QCVMNZOZWIAUQI-MPGHIAIKSA-N 1 3 315.461 2.326 20 0 DEADHO C[C@@H]([NH3+])[C@H](C)C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000563208469 292039529 /nfs/dbraw/zinc/03/95/29/292039529.db2.gz YFIYPZYVKVOVAO-LSDHHAIUSA-N 1 3 318.465 2.130 20 0 DEADHO CC[NH2+][C@H](C)CNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000417015220 285620314 /nfs/dbraw/zinc/62/03/14/285620314.db2.gz FFEVKJSVNIDJPY-NVXWUHKLSA-N 1 3 318.465 2.121 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)C1 ZINC000564470273 292096649 /nfs/dbraw/zinc/09/66/49/292096649.db2.gz LLTDTUSUGBDRPT-JHJVBQTASA-N 1 3 321.387 2.179 20 0 DEADHO N[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)C1 ZINC000564470273 292096650 /nfs/dbraw/zinc/09/66/50/292096650.db2.gz LLTDTUSUGBDRPT-JHJVBQTASA-N 1 3 321.387 2.179 20 0 DEADHO CC(=O)N1C[C@@H]2CCC[C@H](N[C@@H]3C[C@@H]([NH3+])c4ccccc43)[C@H]2C1 ZINC000564823711 292113214 /nfs/dbraw/zinc/11/32/14/292113214.db2.gz YRGQEHPNFIGQTI-NUBKLNGGSA-N 1 3 313.445 2.368 20 0 DEADHO COC[C@@H](O)CNCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000564845650 292114917 /nfs/dbraw/zinc/11/49/17/292114917.db2.gz VCXTZBFKQYEPIA-YJBOKZPZSA-N 1 3 306.450 2.015 20 0 DEADHO COC[C@@H](O)CNCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000564845650 292114918 /nfs/dbraw/zinc/11/49/18/292114918.db2.gz VCXTZBFKQYEPIA-YJBOKZPZSA-N 1 3 306.450 2.015 20 0 DEADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)c1 ZINC000549041302 285825613 /nfs/dbraw/zinc/82/56/13/285825613.db2.gz SMICNRCEUXFFFL-JQHSSLGASA-N 1 3 315.461 2.256 20 0 DEADHO CC[N@H+](Cc1ccc(C(=O)N2C[C@H](C)NC[C@@H]2C)cc1)C1CC1 ZINC000356374138 404483177 /nfs/dbraw/zinc/48/31/77/404483177.db2.gz RPDJJAXKPOGZHI-GJZGRUSLSA-N 1 3 315.461 2.493 20 0 DEADHO CC[N@@H+](Cc1ccc(C(=O)N2C[C@H](C)NC[C@@H]2C)cc1)C1CC1 ZINC000356374138 404483180 /nfs/dbraw/zinc/48/31/80/404483180.db2.gz RPDJJAXKPOGZHI-GJZGRUSLSA-N 1 3 315.461 2.493 20 0 DEADHO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000192606711 145076172 /nfs/dbraw/zinc/07/61/72/145076172.db2.gz HACLXTWHDRBCAV-DNVCBOLYSA-N 1 3 318.461 2.158 20 0 DEADHO CN(C)C(=O)c1cccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000192899295 145080471 /nfs/dbraw/zinc/08/04/71/145080471.db2.gz STOIFTFBRUXFOG-AYHJJNSGSA-N 1 3 315.461 2.146 20 0 DEADHO CN(C)C(=O)c1cccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000192899295 145080473 /nfs/dbraw/zinc/08/04/73/145080473.db2.gz STOIFTFBRUXFOG-AYHJJNSGSA-N 1 3 315.461 2.146 20 0 DEADHO CN1CCC[C@H](CNC(=O)[C@H]2CCCC[NH2+]2)[C@@H]1c1cccs1 ZINC000237124822 145091764 /nfs/dbraw/zinc/09/17/64/145091764.db2.gz UZNUYOPTMRPOCU-IIAWOOMASA-N 1 3 321.490 2.389 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)C[C@H]2CCCN(C)C2)C1 ZINC000247244551 145130720 /nfs/dbraw/zinc/13/07/20/145130720.db2.gz OZZGEWVSEWHPMD-SJORKVTESA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N(C)C[C@H]2CCCN(C)C2)C1 ZINC000247244551 145130722 /nfs/dbraw/zinc/13/07/22/145130722.db2.gz OZZGEWVSEWHPMD-SJORKVTESA-N 1 3 324.513 2.090 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000247657018 145142547 /nfs/dbraw/zinc/14/25/47/145142547.db2.gz YSVKBFOBDSJQQE-IRXDYDNUSA-N 1 3 324.513 2.282 20 0 DEADHO OCC[C@@H]1CCCCN1C/C=C\C[N@@H+]1CCCC[C@H]1CCO ZINC000255342993 145204012 /nfs/dbraw/zinc/20/40/12/145204012.db2.gz RSSURZGMTHKROJ-SLXDBMQSSA-N 1 3 310.482 2.016 20 0 DEADHO OCC[C@@H]1CCCCN1C/C=C\C[N@H+]1CCCC[C@H]1CCO ZINC000255342993 145204013 /nfs/dbraw/zinc/20/40/13/145204013.db2.gz RSSURZGMTHKROJ-SLXDBMQSSA-N 1 3 310.482 2.016 20 0 DEADHO C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)[C@H](N)c1ccccc1 ZINC000261650651 145213927 /nfs/dbraw/zinc/21/39/27/145213927.db2.gz FEFLVTVOEQUHIF-HPBDAGMYSA-N 1 3 315.461 2.265 20 0 DEADHO C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)[C@H](N)c1ccccc1 ZINC000261650651 145213928 /nfs/dbraw/zinc/21/39/28/145213928.db2.gz FEFLVTVOEQUHIF-HPBDAGMYSA-N 1 3 315.461 2.265 20 0 DEADHO C[C@H]([NH3+])C1CCN(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000261858092 145234371 /nfs/dbraw/zinc/23/43/71/145234371.db2.gz FKZSSOXWIKVNRL-UAGQMJEPSA-N 1 3 307.482 2.227 20 0 DEADHO C[C@@H]([NH3+])C1CCN(CC(=O)N(C)[C@@H](C)c2ccccc2)CC1 ZINC000261860065 145234988 /nfs/dbraw/zinc/23/49/88/145234988.db2.gz FSOUPCCJMBCJJW-CABCVRRESA-N 1 3 303.450 2.265 20 0 DEADHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000262072005 145259422 /nfs/dbraw/zinc/25/94/22/145259422.db2.gz COMSTJUOIWZMGI-KYJSFNMBSA-N 1 3 304.434 2.414 20 0 DEADHO C[C@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])N1CCC[C@H](C)C1 ZINC000262266494 145272419 /nfs/dbraw/zinc/27/24/19/145272419.db2.gz JXCDLBDXNCHMLL-VBYWAMKTSA-N 1 3 321.509 2.377 20 0 DEADHO FC(F)(F)CN1CC[C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000262290740 145273466 /nfs/dbraw/zinc/27/34/66/145273466.db2.gz NEBRUJWQAQIDLL-CBBWQLFWSA-N 1 3 319.415 2.381 20 0 DEADHO CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000262444760 145284346 /nfs/dbraw/zinc/28/43/46/145284346.db2.gz IIWMAOQZOVDMCG-GDBMZVCRSA-N 1 3 321.440 2.152 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)C[NH2+]CC2CC2)CC1 ZINC000262679402 145299953 /nfs/dbraw/zinc/29/99/53/145299953.db2.gz VXFPGSIXIYBAAA-OAHLLOKOSA-N 1 3 315.461 2.328 20 0 DEADHO NCc1cc(NC(=O)CC[C@@H]2CC[NH2+]C2)cc(C(F)(F)F)c1 ZINC000262960043 145314192 /nfs/dbraw/zinc/31/41/92/145314192.db2.gz KBVFAGAALNDJSW-SNVBAGLBSA-N 1 3 315.339 2.492 20 0 DEADHO CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309732054 145350804 /nfs/dbraw/zinc/35/08/04/145350804.db2.gz SJRNSEBGADGWON-BQFCYCMXSA-N 1 3 317.477 2.400 20 0 DEADHO [NH3+][C@@H]1CC[C@H]2CN(CCCc3nc(-c4cccs4)no3)C[C@@H]12 ZINC000319483645 145372231 /nfs/dbraw/zinc/37/22/31/145372231.db2.gz UWDFTODBILKBCU-YNEHKIRRSA-N 1 3 318.446 2.400 20 0 DEADHO CCOc1ccc(OCCN2CCC(OCCC[NH3+])CC2)cc1 ZINC000321777258 145377709 /nfs/dbraw/zinc/37/77/09/145377709.db2.gz UGKNZWXBCSPARB-UHFFFAOYSA-N 1 3 322.449 2.294 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000342764849 145673262 /nfs/dbraw/zinc/67/32/62/145673262.db2.gz KHECOGCSLRXYDA-JQHSSLGASA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H](NC1CC1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000346636305 146114225 /nfs/dbraw/zinc/11/42/25/146114225.db2.gz PCOQCNNOLNWMJT-HNNXBMFYSA-N 1 3 307.482 2.432 20 0 DEADHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc(OCc2nccn2C)cc1 ZINC000346687814 146124731 /nfs/dbraw/zinc/12/47/31/146124731.db2.gz WSLYMMPWYQTUKA-HOCLYGCPSA-N 1 3 314.433 2.168 20 0 DEADHO O=C(NC[C@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000346832686 146149841 /nfs/dbraw/zinc/14/98/41/146149841.db2.gz MDCJJWRQGHEOMJ-DLBZAZTESA-N 1 3 315.461 2.128 20 0 DEADHO O=C(NC[C@H]1CCC[N@H+](C[C@H]2CCCNC2)C1)c1ccccc1 ZINC000346832686 146149843 /nfs/dbraw/zinc/14/98/43/146149843.db2.gz MDCJJWRQGHEOMJ-DLBZAZTESA-N 1 3 315.461 2.128 20 0 DEADHO O=C(NC[C@H]1CCC[N@@H+](C[C@H]2CCCNC2)C1)c1ccccc1 ZINC000346832686 146149844 /nfs/dbraw/zinc/14/98/44/146149844.db2.gz MDCJJWRQGHEOMJ-DLBZAZTESA-N 1 3 315.461 2.128 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)CC2CCN(C)CC2)CC1 ZINC000347054805 146187607 /nfs/dbraw/zinc/18/76/07/146187607.db2.gz XVMYJPRGQCTTKA-UHFFFAOYSA-N 1 3 309.498 2.347 20 0 DEADHO C[C@H](N[C@@H]1C=C[C@@H](CO)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348108340 146218003 /nfs/dbraw/zinc/21/80/03/146218003.db2.gz BXTGGMMUGMMZCZ-WZGPROSRSA-N 1 3 300.446 2.424 20 0 DEADHO C[C@H](N[C@@H]1C=C[C@@H](CO)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348108340 146218005 /nfs/dbraw/zinc/21/80/05/146218005.db2.gz BXTGGMMUGMMZCZ-WZGPROSRSA-N 1 3 300.446 2.424 20 0 DEADHO C[C@H](CN(C)C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000348306959 146253105 /nfs/dbraw/zinc/25/31/05/146253105.db2.gz PPYGVNVXFKCFGK-NXWXRZEISA-N 1 3 301.478 2.437 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+](C)[C@@H]2CCCOC2)CC1 ZINC000348701141 146299090 /nfs/dbraw/zinc/29/90/90/146299090.db2.gz CBWVSTDQBFALLR-GOSISDBHSA-N 1 3 317.477 2.439 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+](C)[C@@H]2CCCOC2)CC1 ZINC000348701141 146299092 /nfs/dbraw/zinc/29/90/92/146299092.db2.gz CBWVSTDQBFALLR-GOSISDBHSA-N 1 3 317.477 2.439 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000349117407 146351838 /nfs/dbraw/zinc/35/18/38/146351838.db2.gz KFGULWHYDYCAMH-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H]1C[C@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)CN1C1CC1 ZINC000358269305 147102425 /nfs/dbraw/zinc/10/24/25/147102425.db2.gz UWYXRERQSSLWMB-GJZGRUSLSA-N 1 3 322.497 2.033 20 0 DEADHO O=C(NCC1CC[NH2+]CC1)c1cccc(CN2CCCC2)c1 ZINC000565419936 292161011 /nfs/dbraw/zinc/16/10/11/292161011.db2.gz NIFYKNHIALGWBH-UHFFFAOYSA-N 1 3 301.434 2.012 20 0 DEADHO O=C(NCCN1CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000358637259 147170538 /nfs/dbraw/zinc/17/05/38/147170538.db2.gz QRIJNXAHNHLTIB-UHFFFAOYSA-N 1 3 315.461 2.111 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000358675116 147179287 /nfs/dbraw/zinc/17/92/87/147179287.db2.gz BJIROKZHKVUVQW-CYGHRXIMSA-N 1 3 315.461 2.326 20 0 DEADHO COCCN1CC[C@H](NC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)C1 ZINC000358723566 147190653 /nfs/dbraw/zinc/19/06/53/147190653.db2.gz LMHKUMLUVGADBY-YTQUADARSA-N 1 3 323.525 2.340 20 0 DEADHO NC[C@@H](C(=O)NCC[NH2+]C1CCCCCC1)c1ccc(F)cc1 ZINC000358746569 147195177 /nfs/dbraw/zinc/19/51/77/147195177.db2.gz SRTOFYSIOGBNON-QGZVFWFLSA-N 1 3 321.440 2.297 20 0 DEADHO C[C@H]1CCCCN1CCNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000358774628 147202482 /nfs/dbraw/zinc/20/24/82/147202482.db2.gz HZPSOGZKHKPSOW-HOTGVXAUSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@H]1CCCCN1CCNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000358774628 147202485 /nfs/dbraw/zinc/20/24/85/147202485.db2.gz HZPSOGZKHKPSOW-HOTGVXAUSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000358778104 147203671 /nfs/dbraw/zinc/20/36/71/147203671.db2.gz BORYCGJTLQTLES-CVEARBPZSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000358778104 147203674 /nfs/dbraw/zinc/20/36/74/147203674.db2.gz BORYCGJTLQTLES-CVEARBPZSA-N 1 3 322.497 2.034 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000358850560 147219013 /nfs/dbraw/zinc/21/90/13/147219013.db2.gz CSELWKGQPACJLC-IRXDYDNUSA-N 1 3 321.440 2.249 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000358850560 147219015 /nfs/dbraw/zinc/21/90/15/147219015.db2.gz CSELWKGQPACJLC-IRXDYDNUSA-N 1 3 321.440 2.249 20 0 DEADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000358865651 147221723 /nfs/dbraw/zinc/22/17/23/147221723.db2.gz NMAVBRYMUGMSEZ-CPUCHLNUSA-N 1 3 321.440 2.247 20 0 DEADHO COC1CCN(C2(C[NH2+][C@H]3CCN(C)C[C@@H]3C)CCCC2)CC1 ZINC000361232357 292169967 /nfs/dbraw/zinc/16/99/67/292169967.db2.gz NIENDXBFHRLFNQ-WMZOPIPTSA-N 1 3 323.525 2.340 20 0 DEADHO Cc1nc(CN2CCC(C[NH2+][C@@H]3CCC[C@H](N)C3)CC2)oc1C ZINC000565550400 292170573 /nfs/dbraw/zinc/17/05/73/292170573.db2.gz XHXXGIYQLQLJHN-DLBZAZTESA-N 1 3 320.481 2.363 20 0 DEADHO O=C(N1CCC(C2CCOCC2)CC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000565717596 292177348 /nfs/dbraw/zinc/17/73/48/292177348.db2.gz NVRCFRPYOJDQKK-SJLPKXTDSA-N 1 3 306.450 2.041 20 0 DEADHO CN1CCC[C@H](CNC(=O)[C@H]2CCCC[NH2+]2)[C@H]1c1cccs1 ZINC000372106069 148170503 /nfs/dbraw/zinc/17/05/03/148170503.db2.gz UZNUYOPTMRPOCU-FMKPAKJESA-N 1 3 321.490 2.389 20 0 DEADHO CCCN(CC[NH+](C)C)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000111661351 401720410 /nfs/dbraw/zinc/72/04/10/401720410.db2.gz JDVZJIMFQCZEMU-SFHVURJKSA-N 1 3 317.477 2.451 20 0 DEADHO CC(C)[NH+](CCNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)C(C)C ZINC000127312436 401728380 /nfs/dbraw/zinc/72/83/80/401728380.db2.gz RCWLHMZMAMARMB-GJZGRUSLSA-N 1 3 310.486 2.030 20 0 DEADHO CCN1CCC(NC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000129007980 401797752 /nfs/dbraw/zinc/79/77/52/401797752.db2.gz LFJRGWCOZXZVTD-INIZCTEOSA-N 1 3 324.513 2.138 20 0 DEADHO CCN1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000129007980 401797755 /nfs/dbraw/zinc/79/77/55/401797755.db2.gz LFJRGWCOZXZVTD-INIZCTEOSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H](C(=O)NCC1(C[NH+](C)C)CCCC1)N1[C@@H](C)CC[C@@H]1C ZINC000129143292 401799649 /nfs/dbraw/zinc/79/96/49/401799649.db2.gz MXKGRNJMFFPTGL-JYJNAYRXSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000128005018 401759166 /nfs/dbraw/zinc/75/91/66/401759166.db2.gz UHVKZRJPEWALDU-DLBZAZTESA-N 1 3 303.450 2.315 20 0 DEADHO CC[C@@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000128005018 401759167 /nfs/dbraw/zinc/75/91/67/401759167.db2.gz UHVKZRJPEWALDU-DLBZAZTESA-N 1 3 303.450 2.315 20 0 DEADHO CC[C@]1(C)CCCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000075998166 401776765 /nfs/dbraw/zinc/77/67/65/401776765.db2.gz YRTIEUFDVXPEIM-GOSISDBHSA-N 1 3 309.498 2.488 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000113901534 401786867 /nfs/dbraw/zinc/78/68/67/401786867.db2.gz DVNCZGNVLLEONE-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000113901534 401786869 /nfs/dbraw/zinc/78/68/69/401786869.db2.gz DVNCZGNVLLEONE-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CCN(CC)[C@H](CNC(=O)C[C@H]1CC[NH2+]C1)c1ccsc1 ZINC000130421633 401831533 /nfs/dbraw/zinc/83/15/33/401831533.db2.gz KYQFCSYQIZUCBS-UKRRQHHQSA-N 1 3 309.479 2.247 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)CN1C1CC1 ZINC000130682743 401837037 /nfs/dbraw/zinc/83/70/37/401837037.db2.gz HSGJYYXCNSNZPB-GOEBONIOSA-N 1 3 322.497 2.223 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000078536014 401855040 /nfs/dbraw/zinc/85/50/40/401855040.db2.gz WGTJPTHEOOZGMD-MRXNPFEDSA-N 1 3 324.513 2.425 20 0 DEADHO C[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)[NH+]1CCC(C)CC1 ZINC000078724342 401863423 /nfs/dbraw/zinc/86/34/23/401863423.db2.gz LDJNCSLMJHPLGP-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC[NH+](CC)CCCNC(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000079115032 401869766 /nfs/dbraw/zinc/86/97/66/401869766.db2.gz AAQWLTGSDHSAJB-HOTGVXAUSA-N 1 3 312.502 2.138 20 0 DEADHO CN(c1ccccc1C[NH2+]CC1(C)COC1)C1CCN(C)CC1 ZINC000134196397 401900310 /nfs/dbraw/zinc/90/03/10/401900310.db2.gz SWGFQIRJNXVUAL-UHFFFAOYSA-N 1 3 317.477 2.343 20 0 DEADHO CC[C@]1(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)CCC[NH2+]1 ZINC000134603078 401908198 /nfs/dbraw/zinc/90/81/98/401908198.db2.gz QGCUSKMVZYBNQH-CRAIPNDOSA-N 1 3 303.450 2.155 20 0 DEADHO C[C@]1(C(=O)NC[C@H](c2cccs2)N2CCCC2)CCC[NH2+]C1 ZINC000119866843 401969375 /nfs/dbraw/zinc/96/93/75/401969375.db2.gz FQAKLEPRVYNFDM-PBHICJAKSA-N 1 3 321.490 2.391 20 0 DEADHO CC[N@@H+]1CC[C@H](NCCNc2cc(OC)cc(OC)c2)[C@H](C)C1 ZINC000090719311 401987152 /nfs/dbraw/zinc/98/71/52/401987152.db2.gz DBHCJJSIKASFHR-KDOFPFPSSA-N 1 3 321.465 2.436 20 0 DEADHO CC[N@H+]1CC[C@H](NCCNc2cc(OC)cc(OC)c2)[C@H](C)C1 ZINC000090719311 401987154 /nfs/dbraw/zinc/98/71/54/401987154.db2.gz DBHCJJSIKASFHR-KDOFPFPSSA-N 1 3 321.465 2.436 20 0 DEADHO CN1CCC[C@H]1CC[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000089426059 401946221 /nfs/dbraw/zinc/94/62/21/401946221.db2.gz RLLWOEFMWYEIML-INIZCTEOSA-N 1 3 321.490 2.427 20 0 DEADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)C1 ZINC000151135147 402018060 /nfs/dbraw/zinc/01/80/60/402018060.db2.gz SWKWPWKTGSIWLJ-GJZGRUSLSA-N 1 3 314.437 2.045 20 0 DEADHO Cc1cc2ncc([C@@H](C)NCC3CC[NH+](C)CC3)c(C)n2n1 ZINC000121196587 402019862 /nfs/dbraw/zinc/01/98/62/402019862.db2.gz LVPITNYKPIQRMG-CYBMUJFWSA-N 1 3 301.438 2.339 20 0 DEADHO CC(C)CCN(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051761792 402036473 /nfs/dbraw/zinc/03/64/73/402036473.db2.gz NNRQQXXWSULVHR-UHFFFAOYSA-N 1 3 324.513 2.233 20 0 DEADHO COc1cc(C[N@H+](C)C[C@@H]2CCCN(C)C2)cc(OC)c1OC ZINC000092253830 402003987 /nfs/dbraw/zinc/00/39/87/402003987.db2.gz LIQPEKVYBNRCKX-CQSZACIVSA-N 1 3 322.449 2.486 20 0 DEADHO COc1cc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)cc(OC)c1OC ZINC000092253830 402003988 /nfs/dbraw/zinc/00/39/88/402003988.db2.gz LIQPEKVYBNRCKX-CQSZACIVSA-N 1 3 322.449 2.486 20 0 DEADHO C[C@@H]1CN(CC2CC[NH+](Cc3ccn(C)c3)CC2)C[C@@H](C)O1 ZINC000092587218 402006810 /nfs/dbraw/zinc/00/68/10/402006810.db2.gz ZIOXBKLOWUHPHT-HZPDHXFCSA-N 1 3 305.466 2.346 20 0 DEADHO CC[C@H](C(=O)NCc1ccc(C[NH+](CC)CC)cc1)N(C)C ZINC000124580296 402186890 /nfs/dbraw/zinc/18/68/90/402186890.db2.gz PFNSNZKVTKHRPQ-QGZVFWFLSA-N 1 3 305.466 2.485 20 0 DEADHO C[C@H]([NH2+]C[C@H]1CCCN1C)c1ccc(OCCN(C)C)cc1 ZINC000154514396 402216384 /nfs/dbraw/zinc/21/63/84/402216384.db2.gz RNLGBNGQHOEGNA-DOTOQJQBSA-N 1 3 305.466 2.372 20 0 DEADHO CC(=O)NC1CCC([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000155241643 402249377 /nfs/dbraw/zinc/24/93/77/402249377.db2.gz XUWACMCUDNFUML-UHFFFAOYSA-N 1 3 307.482 2.430 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)NC[C@@H]1CCCN(C)C1 ZINC000108573519 402258252 /nfs/dbraw/zinc/25/82/52/402258252.db2.gz GCCWONFDGMRDAT-INIZCTEOSA-N 1 3 312.502 2.140 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)NC[C@H](C)N(C)C2CC2)CC1 ZINC000105217057 402206687 /nfs/dbraw/zinc/20/66/87/402206687.db2.gz LRUQBHRMIMYJQP-AWEZNQCLSA-N 1 3 310.486 2.033 20 0 DEADHO C[N@H+](CCNC(=O)N1CCN(C2CCCC2)CC1)C1CCCC1 ZINC000105294373 402207509 /nfs/dbraw/zinc/20/75/09/402207509.db2.gz ODLDAJLYEMAAOD-UHFFFAOYSA-N 1 3 322.497 2.131 20 0 DEADHO C[N@@H+](CCNC(=O)N1CCN(C2CCCC2)CC1)C1CCCC1 ZINC000105294373 402207512 /nfs/dbraw/zinc/20/75/12/402207512.db2.gz ODLDAJLYEMAAOD-UHFFFAOYSA-N 1 3 322.497 2.131 20 0 DEADHO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CCCN2CCCC2)C1 ZINC000220768489 402302279 /nfs/dbraw/zinc/30/22/79/402302279.db2.gz DDWKIQCCBKDDTC-HNNXBMFYSA-N 1 3 311.470 2.461 20 0 DEADHO CC(C)(C)OC(=O)N1CCC[C@H](NCCC[NH+]2CCCC2)C1 ZINC000220768489 402302280 /nfs/dbraw/zinc/30/22/80/402302280.db2.gz DDWKIQCCBKDDTC-HNNXBMFYSA-N 1 3 311.470 2.461 20 0 DEADHO CC[C@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000236915593 402388169 /nfs/dbraw/zinc/38/81/69/402388169.db2.gz KJDBZQZGWFCVFH-PBHICJAKSA-N 1 3 303.450 2.415 20 0 DEADHO CC[C@H](N)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000236915593 402388171 /nfs/dbraw/zinc/38/81/71/402388171.db2.gz KJDBZQZGWFCVFH-PBHICJAKSA-N 1 3 303.450 2.415 20 0 DEADHO CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000236936168 402388421 /nfs/dbraw/zinc/38/84/21/402388421.db2.gz YTQHQVBSYIGDSZ-OIISXLGYSA-N 1 3 303.450 2.313 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)CC2CC[NH2+]CC2)cc1 ZINC000236710707 402376867 /nfs/dbraw/zinc/37/68/67/402376867.db2.gz YIPARLAXDAEBPQ-KRWDZBQOSA-N 1 3 303.450 2.316 20 0 DEADHO COc1cc(CNCCOCC[NH+](C)C)cc(Cl)c1OC ZINC000226745060 402329751 /nfs/dbraw/zinc/32/97/51/402329751.db2.gz RFJGFXZUWHTHAG-UHFFFAOYSA-N 1 3 316.829 2.025 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)CC1 ZINC000185197805 402333479 /nfs/dbraw/zinc/33/34/79/402333479.db2.gz BFHNTEFFLUNKSG-SJORKVTESA-N 1 3 311.514 2.196 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)N1CCCCC1 ZINC000177478306 402407160 /nfs/dbraw/zinc/40/71/60/402407160.db2.gz YKEOMCYFBYHXBL-YESZJQIVSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)CC(C)(C)[NH3+])CCN1Cc1ccccc1 ZINC000237506842 402410556 /nfs/dbraw/zinc/41/05/56/402410556.db2.gz QMFNQGAKYHSRBU-ZBFHGGJFSA-N 1 3 303.450 2.283 20 0 DEADHO C[C@H]1CCN(C(=O)C(C)(C)C[NH3+])CCN1Cc1ccccc1 ZINC000237604083 402414674 /nfs/dbraw/zinc/41/46/74/402414674.db2.gz ZNMJADTVDOOKDA-HNNXBMFYSA-N 1 3 303.450 2.094 20 0 DEADHO C[C@H]1CCN(C(=O)CC(C)(C)[NH3+])CCN1Cc1ccccc1 ZINC000237604160 402414744 /nfs/dbraw/zinc/41/47/44/402414744.db2.gz JPINCTNZHLSLFC-HNNXBMFYSA-N 1 3 303.450 2.237 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)N2CCCC2)cc1 ZINC000237624030 402415988 /nfs/dbraw/zinc/41/59/88/402415988.db2.gz GGCFPGOJNKZDOS-HKUYNNGSSA-N 1 3 315.461 2.248 20 0 DEADHO Cc1nc(C)c([C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)s1 ZINC000177883181 402442283 /nfs/dbraw/zinc/44/22/83/402442283.db2.gz FQZCKKJSWFFQCO-CYBMUJFWSA-N 1 3 310.511 2.437 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)[C@]2(C)CCC[NH2+]C2)N(C)C)cc1 ZINC000236960260 402389346 /nfs/dbraw/zinc/38/93/46/402389346.db2.gz RSWGREFMZQBXAC-IEBWSBKVSA-N 1 3 317.477 2.358 20 0 DEADHO O=C(C[C@@H]1CCC[NH2+]1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000166207126 402482633 /nfs/dbraw/zinc/48/26/33/402482633.db2.gz PXAGZKLTDPLNOD-GJZGRUSLSA-N 1 3 321.490 2.218 20 0 DEADHO CC(C)C[C@H](N)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000166381894 402484379 /nfs/dbraw/zinc/48/43/79/402484379.db2.gz ZXDRUZPUHJLSQF-ROUUACIJSA-N 1 3 317.477 2.041 20 0 DEADHO CC(C)C[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000166381894 402484381 /nfs/dbraw/zinc/48/43/81/402484381.db2.gz ZXDRUZPUHJLSQF-ROUUACIJSA-N 1 3 317.477 2.041 20 0 DEADHO C[C@@H](NC(C)(C)CNC(=O)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000167617415 402492228 /nfs/dbraw/zinc/49/22/28/402492228.db2.gz SRKSBIKUJGWQCY-GDBMZVCRSA-N 1 3 303.450 2.232 20 0 DEADHO C[C@H]([NH3+])C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000167844247 402494318 /nfs/dbraw/zinc/49/43/18/402494318.db2.gz JCHLUFTWUUHMAL-LBPRGKRZSA-N 1 3 309.841 2.015 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000169118854 402499882 /nfs/dbraw/zinc/49/98/82/402499882.db2.gz PPDCNNDTASJOTD-RANZSIQMSA-N 1 3 315.461 2.141 20 0 DEADHO CN1CCC[C@H](CNC(=O)C[NH2+]CC2CC2)[C@@H]1c1cccs1 ZINC000178816372 402543499 /nfs/dbraw/zinc/54/34/99/402543499.db2.gz VSMATHBABLGFBD-RHSMWYFYSA-N 1 3 321.490 2.247 20 0 DEADHO CN1CCC[C@@H](CNC(=O)C[NH2+]CC2CC2)[C@@H]1c1cccs1 ZINC000178816384 402543505 /nfs/dbraw/zinc/54/35/05/402543505.db2.gz VSMATHBABLGFBD-WMLDXEAASA-N 1 3 321.490 2.247 20 0 DEADHO CN(CC1CC[NH2+]CC1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000178974119 402560786 /nfs/dbraw/zinc/56/07/86/402560786.db2.gz FEJQHVFQACVQQJ-KRWDZBQOSA-N 1 3 301.434 2.113 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)C1 ZINC000246177281 402515622 /nfs/dbraw/zinc/51/56/22/402515622.db2.gz GSSDPWLNFVZNJD-IXDOHACOSA-N 1 3 324.513 2.088 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)C1 ZINC000246177281 402515625 /nfs/dbraw/zinc/51/56/25/402515625.db2.gz GSSDPWLNFVZNJD-IXDOHACOSA-N 1 3 324.513 2.088 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000246642159 402539204 /nfs/dbraw/zinc/53/92/04/402539204.db2.gz HJZISQBUDYIXAD-KZNAEPCWSA-N 1 3 315.461 2.285 20 0 DEADHO C[C@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)N1CCC[C@H](C)C1 ZINC000249281004 402624843 /nfs/dbraw/zinc/62/48/43/402624843.db2.gz NMOMHKSRDKXFAW-JKSUJKDBSA-N 1 3 324.513 2.233 20 0 DEADHO COC[C@@H]1CCC[N@@H+](C/C=C\CN2CCC[C@H](COC)C2)C1 ZINC000255776173 402696348 /nfs/dbraw/zinc/69/63/48/402696348.db2.gz RBOFQIQNRNYVQQ-FEFURNDJSA-N 1 3 310.482 2.259 20 0 DEADHO COC[C@@H]1CCC[N@H+](C/C=C\CN2CCC[C@H](COC)C2)C1 ZINC000255776173 402696349 /nfs/dbraw/zinc/69/63/49/402696349.db2.gz RBOFQIQNRNYVQQ-FEFURNDJSA-N 1 3 310.482 2.259 20 0 DEADHO COC[C@@H]1CCCN(C/C=C\C[N@@H+]2CCC[C@H](COC)C2)C1 ZINC000255776173 402696351 /nfs/dbraw/zinc/69/63/51/402696351.db2.gz RBOFQIQNRNYVQQ-FEFURNDJSA-N 1 3 310.482 2.259 20 0 DEADHO COC[C@@H]1CCCN(C/C=C\C[N@H+]2CCC[C@H](COC)C2)C1 ZINC000255776173 402696352 /nfs/dbraw/zinc/69/63/52/402696352.db2.gz RBOFQIQNRNYVQQ-FEFURNDJSA-N 1 3 310.482 2.259 20 0 DEADHO C[C@@H]([NH3+])CCC(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000262801817 402733052 /nfs/dbraw/zinc/73/30/52/402733052.db2.gz NZDDULLZKIUJEJ-CYBMUJFWSA-N 1 3 304.438 2.259 20 0 DEADHO C[C@@]1(C(=O)N[C@H](CN)c2ccc3ccccc3c2)CCCC[NH2+]1 ZINC000192547731 402736336 /nfs/dbraw/zinc/73/63/36/402736336.db2.gz XXNGYQAXESFVKO-MJGOQNOKSA-N 1 3 311.429 2.488 20 0 DEADHO CC[C@@]1(C(=O)N[C@H](CN)c2ccc3ccccc3c2)CCC[NH2+]1 ZINC000192549015 402736354 /nfs/dbraw/zinc/73/63/54/402736354.db2.gz VYGRJMRIIWDDLD-MJGOQNOKSA-N 1 3 311.429 2.488 20 0 DEADHO CCCN1CCC([N@H+](C)CCCN2CCN(C(C)C)CC2)CC1 ZINC000192752480 402748228 /nfs/dbraw/zinc/74/82/28/402748228.db2.gz QRJUAFSFHGYNSL-UHFFFAOYSA-N 1 3 324.557 2.209 20 0 DEADHO CCCN1CCC([N@@H+](C)CCCN2CCN(C(C)C)CC2)CC1 ZINC000192752480 402748229 /nfs/dbraw/zinc/74/82/29/402748229.db2.gz QRJUAFSFHGYNSL-UHFFFAOYSA-N 1 3 324.557 2.209 20 0 DEADHO CN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000194691136 402810569 /nfs/dbraw/zinc/81/05/69/402810569.db2.gz RMILIKDLGRYCSL-QZTJIDSGSA-N 1 3 315.461 2.109 20 0 DEADHO CN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000194691136 402810571 /nfs/dbraw/zinc/81/05/71/402810571.db2.gz RMILIKDLGRYCSL-QZTJIDSGSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@H]([NH2+][C@H]1CCCCNC1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272173004 402905881 /nfs/dbraw/zinc/90/58/81/402905881.db2.gz GQNSKQRLCXWRDO-JQHSSLGASA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000279210602 402916741 /nfs/dbraw/zinc/91/67/41/402916741.db2.gz NSYBLHBALJYKIJ-RYQLBKOJSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000279210602 402916743 /nfs/dbraw/zinc/91/67/43/402916743.db2.gz NSYBLHBALJYKIJ-RYQLBKOJSA-N 1 3 315.461 2.107 20 0 DEADHO CNC(=O)C[C@H](C)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272328974 402924319 /nfs/dbraw/zinc/92/43/19/402924319.db2.gz MOJWDMYKKYMSNQ-YQQAZPJKSA-N 1 3 303.450 2.011 20 0 DEADHO CNC(=O)C[C@H](C)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272328974 402924320 /nfs/dbraw/zinc/92/43/20/402924320.db2.gz MOJWDMYKKYMSNQ-YQQAZPJKSA-N 1 3 303.450 2.011 20 0 DEADHO C[C@H](CC(=O)N(C)C)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272391288 402931539 /nfs/dbraw/zinc/93/15/39/402931539.db2.gz XZJVCDKOROFOTP-RYRKJORJSA-N 1 3 317.477 2.353 20 0 DEADHO C[C@H](CC(=O)N(C)C)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272391288 402931541 /nfs/dbraw/zinc/93/15/41/402931541.db2.gz XZJVCDKOROFOTP-RYRKJORJSA-N 1 3 317.477 2.353 20 0 DEADHO CN(C)CCN1CCC([NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000268767143 403112001 /nfs/dbraw/zinc/11/20/01/403112001.db2.gz OAFFGNJQFJJJCA-GOSISDBHSA-N 1 3 305.441 2.429 20 0 DEADHO CC[N@@H+]1CC[C@@H](NCCNC(=O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000268806841 403116167 /nfs/dbraw/zinc/11/61/67/403116167.db2.gz HUEVGKYMWFSUKQ-XJKSGUPXSA-N 1 3 323.868 2.390 20 0 DEADHO CC[N@H+]1CC[C@@H](NCCNC(=O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000268806841 403116170 /nfs/dbraw/zinc/11/61/70/403116170.db2.gz HUEVGKYMWFSUKQ-XJKSGUPXSA-N 1 3 323.868 2.390 20 0 DEADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CC1(N(C)C)Cc2ccccc2C1 ZINC000268920030 403121568 /nfs/dbraw/zinc/12/15/68/403121568.db2.gz UHQWVTQHLGYOIY-JTDSTZFVSA-N 1 3 315.505 2.404 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000269245998 403125053 /nfs/dbraw/zinc/12/50/53/403125053.db2.gz DMIMMEUDAZPVCW-KBAYOESNSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccccc1N(C)C ZINC000282374226 403148013 /nfs/dbraw/zinc/14/80/13/403148013.db2.gz QJYPCOLGIPKVQZ-INIZCTEOSA-N 1 3 318.509 2.429 20 0 DEADHO CCOc1cccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000282389945 403148983 /nfs/dbraw/zinc/14/89/83/403148983.db2.gz OXPQNGPCVQOXEY-UHFFFAOYSA-N 1 3 305.466 2.201 20 0 DEADHO CC(C)N1CCN(C2CC[NH+](CCc3cccnc3)CC2)CC1 ZINC000270989630 403250442 /nfs/dbraw/zinc/25/04/42/403250442.db2.gz XYNFDQZACYVMPM-UHFFFAOYSA-N 1 3 316.493 2.115 20 0 DEADHO CN(C)CCN(Cc1ccccc1F)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000292135163 403302360 /nfs/dbraw/zinc/30/23/60/403302360.db2.gz RWLUBCCPBLIXHU-MRXNPFEDSA-N 1 3 321.440 2.248 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000345416076 403325596 /nfs/dbraw/zinc/32/55/96/403325596.db2.gz SPYNVILHIWYCNG-OAGGEKHMSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000345416076 403325600 /nfs/dbraw/zinc/32/56/00/403325600.db2.gz SPYNVILHIWYCNG-OAGGEKHMSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000342764851 403341667 /nfs/dbraw/zinc/34/16/67/403341667.db2.gz KHECOGCSLRXYDA-SZMVWBNQSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H](C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)N1CCCCCC1 ZINC000345582060 403391091 /nfs/dbraw/zinc/39/10/91/403391091.db2.gz GNQHPJXPIMGUQI-HZPDHXFCSA-N 1 3 309.498 2.440 20 0 DEADHO CCN1CCC(NC(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000298567933 403416279 /nfs/dbraw/zinc/41/62/79/403416279.db2.gz AKFPITGNEMVEGR-UHFFFAOYSA-N 1 3 318.465 2.032 20 0 DEADHO CC(C)(CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)N1CCCCC1 ZINC000332021019 403464365 /nfs/dbraw/zinc/46/43/65/403464365.db2.gz ZWYCEIGGWOOBPW-XHSDSOJGSA-N 1 3 322.497 2.020 20 0 DEADHO C[C@@H]1C[C@@H](NCc2cccc(N3CCOCC3)c2)CC[N@@H+]1C ZINC000293628277 403523444 /nfs/dbraw/zinc/52/34/44/403523444.db2.gz GHHGKUFPCSERAE-WBVHZDCISA-N 1 3 303.450 2.096 20 0 DEADHO C[C@@H]1C[C@@H](NCc2cccc(N3CCOCC3)c2)CC[N@H+]1C ZINC000293628277 403523447 /nfs/dbraw/zinc/52/34/47/403523447.db2.gz GHHGKUFPCSERAE-WBVHZDCISA-N 1 3 303.450 2.096 20 0 DEADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCOC3(C)C)cc2)CC1 ZINC000293681579 403537274 /nfs/dbraw/zinc/53/72/74/403537274.db2.gz KJUYJVDPEUQKCF-GOSISDBHSA-N 1 3 317.477 2.091 20 0 DEADHO c1ccc2nc(CN[C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)ccc2c1 ZINC000343245529 403508688 /nfs/dbraw/zinc/50/86/88/403508688.db2.gz MHPQUWPUWLVHTK-QRQLOZEOSA-N 1 3 311.429 2.482 20 0 DEADHO COCCCOc1cccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000346835565 403604458 /nfs/dbraw/zinc/60/44/58/403604458.db2.gz TZELFELJYNUIJK-RYQLBKOJSA-N 1 3 304.434 2.271 20 0 DEADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@H]3CC[C@H](CO)O3)CC2)C1 ZINC000340416673 403609433 /nfs/dbraw/zinc/60/94/33/403609433.db2.gz ZXTZEIDJRCMFGG-BZZMCLGOSA-N 1 3 310.482 2.159 20 0 DEADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000566967815 292280078 /nfs/dbraw/zinc/28/00/78/292280078.db2.gz JXMZECFGPRMPSC-GLQYFDAESA-N 1 3 314.376 2.172 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCc1ccc(OC(F)F)cc1 ZINC000566967815 292280079 /nfs/dbraw/zinc/28/00/79/292280079.db2.gz JXMZECFGPRMPSC-GLQYFDAESA-N 1 3 314.376 2.172 20 0 DEADHO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CCCCCN1CCCC1 ZINC000340477394 403624221 /nfs/dbraw/zinc/62/42/21/403624221.db2.gz VYGRXONFXCJZDC-HOTGVXAUSA-N 1 3 316.511 2.198 20 0 DEADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000332925323 403636715 /nfs/dbraw/zinc/63/67/15/403636715.db2.gz INESAEMIGJZIPQ-SWLSCSKDSA-N 1 3 322.497 2.078 20 0 DEADHO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C)C1CCC1 ZINC000347263680 403642106 /nfs/dbraw/zinc/64/21/06/403642106.db2.gz ICAFONSWHXQWKJ-YJBOKZPZSA-N 1 3 317.477 2.054 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCN1C ZINC000340866382 403679704 /nfs/dbraw/zinc/67/97/04/403679704.db2.gz GBBKUTPFRUDJBU-CHWSQXEVSA-N 1 3 310.486 2.078 20 0 DEADHO C[C@@H]1CCC[C@](CNC(=O)NCC2=CCN(C)CC2)([NH+](C)C)C1 ZINC000343731782 403710575 /nfs/dbraw/zinc/71/05/75/403710575.db2.gz SBLOQRJKSXRTAG-QAPCUYQASA-N 1 3 322.497 2.058 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CCCN1C ZINC000343763213 403722825 /nfs/dbraw/zinc/72/28/25/403722825.db2.gz HZWNGSPKPZQXCT-PVAVHDDUSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CCN1C ZINC000340989847 403725550 /nfs/dbraw/zinc/72/55/50/403725550.db2.gz SNSMIVMRGWRAKE-ZACQAIPSSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CCN1C ZINC000340989847 403725553 /nfs/dbraw/zinc/72/55/53/403725553.db2.gz SNSMIVMRGWRAKE-ZACQAIPSSA-N 1 3 324.513 2.423 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCCN(C(C)C)CC1 ZINC000347481696 403725589 /nfs/dbraw/zinc/72/55/89/403725589.db2.gz FKKJZTWVAJOQNI-QGZVFWFLSA-N 1 3 324.513 2.377 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCCN(C(C)C)CC1 ZINC000347481696 403725590 /nfs/dbraw/zinc/72/55/90/403725590.db2.gz FKKJZTWVAJOQNI-QGZVFWFLSA-N 1 3 324.513 2.377 20 0 DEADHO C[N@H+](CCNC(=O)c1ccc2c(c1)CNC2)C1CCCCC1 ZINC000347542321 403747258 /nfs/dbraw/zinc/74/72/58/403747258.db2.gz WEOAURDZVMAPEZ-UHFFFAOYSA-N 1 3 301.434 2.284 20 0 DEADHO C[N@@H+](CCNC(=O)c1ccc2c(c1)CNC2)C1CCCCC1 ZINC000347542321 403747261 /nfs/dbraw/zinc/74/72/61/403747261.db2.gz WEOAURDZVMAPEZ-UHFFFAOYSA-N 1 3 301.434 2.284 20 0 DEADHO CCC[C@H]1CN(CC[C@H]2CCCC[N@@H+]2C)CCN1CCOC ZINC000347577403 403759078 /nfs/dbraw/zinc/75/90/78/403759078.db2.gz AMMPTTWTPDTICC-MSOLQXFVSA-N 1 3 311.514 2.294 20 0 DEADHO CCC[C@H]1CN(CC[C@H]2CCCC[N@H+]2C)CCN1CCOC ZINC000347577403 403759080 /nfs/dbraw/zinc/75/90/80/403759080.db2.gz AMMPTTWTPDTICC-MSOLQXFVSA-N 1 3 311.514 2.294 20 0 DEADHO COC(=O)c1cccc(OCCN2CCC(C[NH+](C)C)CC2)c1 ZINC000341190698 403817413 /nfs/dbraw/zinc/81/74/13/403817413.db2.gz NLMIMGZFVCFMBU-UHFFFAOYSA-N 1 3 320.433 2.126 20 0 DEADHO CCCCNC(=O)[C@H]1CCCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000351632220 403817538 /nfs/dbraw/zinc/81/75/38/403817538.db2.gz IWTIBLCTSRRVHH-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO CCCCNC(=O)[C@H]1CCCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000351632220 403817540 /nfs/dbraw/zinc/81/75/40/403817540.db2.gz IWTIBLCTSRRVHH-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO CCC[N@@H+]1CC[C@H](CNC(=O)N(CCN(C)C)C2CCCC2)C1 ZINC000343981525 403823497 /nfs/dbraw/zinc/82/34/97/403823497.db2.gz QGDLZRDXDXJAHD-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO CCC[N@H+]1CC[C@H](CNC(=O)N(CCN(C)C)C2CCCC2)C1 ZINC000343981525 403823504 /nfs/dbraw/zinc/82/35/04/403823504.db2.gz QGDLZRDXDXJAHD-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343990672 403830817 /nfs/dbraw/zinc/83/08/17/403830817.db2.gz URIUDOYNZDMDFQ-JFIYKMOQSA-N 1 3 302.466 2.100 20 0 DEADHO C[C@H](c1ccccn1)[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343990672 403830824 /nfs/dbraw/zinc/83/08/24/403830824.db2.gz URIUDOYNZDMDFQ-JFIYKMOQSA-N 1 3 302.466 2.100 20 0 DEADHO CC1(C)CCCN[C@H]1C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000333580437 403784529 /nfs/dbraw/zinc/78/45/29/403784529.db2.gz NPYALBXZPWPGQS-ZDUSSCGKSA-N 1 3 322.478 2.327 20 0 DEADHO O=C(NCCN1CCC2(CCCCC2)CC1)NC1CC[NH2+]CC1 ZINC000333727600 403834548 /nfs/dbraw/zinc/83/45/48/403834548.db2.gz HHIXQGMEECLMPL-UHFFFAOYSA-N 1 3 322.497 2.084 20 0 DEADHO C[C@@H](c1cccnc1)[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343917123 403790770 /nfs/dbraw/zinc/79/07/70/403790770.db2.gz CMXQUGYTEWMCTB-SOLBZPMBSA-N 1 3 302.466 2.100 20 0 DEADHO C[C@@H](c1cccnc1)[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343917123 403790776 /nfs/dbraw/zinc/79/07/76/403790776.db2.gz CMXQUGYTEWMCTB-SOLBZPMBSA-N 1 3 302.466 2.100 20 0 DEADHO CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1ccncc1OCCN(C)C ZINC000343930683 403797275 /nfs/dbraw/zinc/79/72/75/403797275.db2.gz MEDMMSMNKHRAFA-DLBZAZTESA-N 1 3 321.465 2.317 20 0 DEADHO C[C@@H]1C[C@H](NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)[C@@H](C)O1 ZINC000295349749 403875125 /nfs/dbraw/zinc/87/51/25/403875125.db2.gz ILUMQGWITRJWDD-RGCFKVTRSA-N 1 3 318.461 2.299 20 0 DEADHO C[C@@H]1C[C@H](NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)[C@@H](C)O1 ZINC000295349749 403875134 /nfs/dbraw/zinc/87/51/34/403875134.db2.gz ILUMQGWITRJWDD-RGCFKVTRSA-N 1 3 318.461 2.299 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000344072054 403889040 /nfs/dbraw/zinc/88/90/40/403889040.db2.gz ZIBAQBZUTNKSKJ-KRWDZBQOSA-N 1 3 321.465 2.434 20 0 DEADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000344072054 403889044 /nfs/dbraw/zinc/88/90/44/403889044.db2.gz ZIBAQBZUTNKSKJ-KRWDZBQOSA-N 1 3 321.465 2.434 20 0 DEADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000344072054 403889051 /nfs/dbraw/zinc/88/90/51/403889051.db2.gz ZIBAQBZUTNKSKJ-KRWDZBQOSA-N 1 3 321.465 2.434 20 0 DEADHO CCO[C@@H]1C[C@@H](NC[C@@H](O)C[NH+]2CCC(C)CC2)C12CCCC2 ZINC000344112564 403916457 /nfs/dbraw/zinc/91/64/57/403916457.db2.gz UUUKSMPIIXPQCC-KZNAEPCWSA-N 1 3 324.509 2.407 20 0 DEADHO CCN1CC[C@H]([NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)[C@@H](C)C1 ZINC000305763541 403932177 /nfs/dbraw/zinc/93/21/77/403932177.db2.gz ARCKGCZLPIRYJM-GDAAHCPNSA-N 1 3 323.525 2.074 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000289893089 404006376 /nfs/dbraw/zinc/00/63/76/404006376.db2.gz MRCJSXNCDHSQCL-BFYDXBDKSA-N 1 3 303.450 2.011 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000344290184 404033265 /nfs/dbraw/zinc/03/32/65/404033265.db2.gz YCROTVSPAVYYJZ-GJZGRUSLSA-N 1 3 303.450 2.237 20 0 DEADHO CN(C)CCN(C(=O)C[C@H]1CCCC[C@H]1[NH3+])c1ccccc1 ZINC000296082240 404085267 /nfs/dbraw/zinc/08/52/67/404085267.db2.gz QPSXCBNWPXRBFR-NVXWUHKLSA-N 1 3 303.450 2.489 20 0 DEADHO CC[C@@H](C(=O)OC)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354900134 404089974 /nfs/dbraw/zinc/08/99/74/404089974.db2.gz PZOAOCNVUXICLX-INIZCTEOSA-N 1 3 305.422 2.181 20 0 DEADHO CC(C)[NH+](CCN(C)C(=O)N[C@@H]1CCCN(C)[C@@H]1C)C(C)C ZINC000344297120 404039873 /nfs/dbraw/zinc/03/98/73/404039873.db2.gz RLXIWGYVHNOOHZ-HZPDHXFCSA-N 1 3 312.502 2.229 20 0 DEADHO COc1cc([C@H](C)[NH2+]CC[C@H]2CCCN2C)ccc1OCCO ZINC000341586198 404051005 /nfs/dbraw/zinc/05/10/05/404051005.db2.gz MZYYSKQSFSQINJ-GOEBONIOSA-N 1 3 322.449 2.201 20 0 DEADHO C[NH+](C)C1(CNC(=O)[C@H]2CNCc3ccccc32)CCCCC1 ZINC000321013485 404070158 /nfs/dbraw/zinc/07/01/58/404070158.db2.gz OMOAKDJETQGPGK-KRWDZBQOSA-N 1 3 315.461 2.254 20 0 DEADHO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000290264630 404104673 /nfs/dbraw/zinc/10/46/73/404104673.db2.gz VPDIUMLDGMLISU-IAGOWNOFSA-N 1 3 319.449 2.200 20 0 DEADHO COC1(C[N@@H+]2CCN(C3CCN(C)CC3)[C@H](C)C2)CCCCC1 ZINC000349310322 404149093 /nfs/dbraw/zinc/14/90/93/404149093.db2.gz BAAQXXLSCBENIG-QGZVFWFLSA-N 1 3 323.525 2.436 20 0 DEADHO COC1(C[N@H+]2CCN(C3CCN(C)CC3)[C@H](C)C2)CCCCC1 ZINC000349310322 404149099 /nfs/dbraw/zinc/14/90/99/404149099.db2.gz BAAQXXLSCBENIG-QGZVFWFLSA-N 1 3 323.525 2.436 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)C[C@@H](N)Cc2ccccc2)CC1 ZINC000567350404 292307615 /nfs/dbraw/zinc/30/76/15/292307615.db2.gz FLDQOBSRWDSXLQ-KRWDZBQOSA-N 1 3 317.477 2.183 20 0 DEADHO CCN(CCC[NH+](C)C)C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000344515731 404197803 /nfs/dbraw/zinc/19/78/03/404197803.db2.gz ALWYRORNQPQOIQ-JKSUJKDBSA-N 1 3 312.502 2.233 20 0 DEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000355406113 404331962 /nfs/dbraw/zinc/33/19/62/404331962.db2.gz CVEYZGMXPNMYHB-BQJWPVKWSA-N 1 3 309.498 2.342 20 0 DEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000355406113 404331969 /nfs/dbraw/zinc/33/19/69/404331969.db2.gz CVEYZGMXPNMYHB-BQJWPVKWSA-N 1 3 309.498 2.342 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCN(C)CC[C@H]2C)C1 ZINC000355472415 404340533 /nfs/dbraw/zinc/34/05/33/404340533.db2.gz DUMQHCQXLLOAMG-BRWVUGGUSA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)CS1 ZINC000364331801 404352812 /nfs/dbraw/zinc/35/28/12/404352812.db2.gz LVMBVYSGRDWUBI-INMHGKMJSA-N 1 3 311.539 2.275 20 0 DEADHO COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCC[C@H]1CCC[N@@H+]1C ZINC000342085722 404356907 /nfs/dbraw/zinc/35/69/07/404356907.db2.gz MXQJGULASBSZDR-CGTJXYLNSA-N 1 3 318.461 2.481 20 0 DEADHO COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCC[C@H]1CCC[N@H+]1C ZINC000342085722 404356910 /nfs/dbraw/zinc/35/69/10/404356910.db2.gz MXQJGULASBSZDR-CGTJXYLNSA-N 1 3 318.461 2.481 20 0 DEADHO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]CC[C@H]1CCCN1C ZINC000342085722 404356913 /nfs/dbraw/zinc/35/69/13/404356913.db2.gz MXQJGULASBSZDR-CGTJXYLNSA-N 1 3 318.461 2.481 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)N1CCCCC1 ZINC000356256221 404411908 /nfs/dbraw/zinc/41/19/08/404411908.db2.gz RYIQVEWRVXFZKU-PKOBYXMFSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)N1CCCCC1 ZINC000356256221 404411914 /nfs/dbraw/zinc/41/19/14/404411914.db2.gz RYIQVEWRVXFZKU-PKOBYXMFSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)N(C)C1CC1 ZINC000356326258 404450055 /nfs/dbraw/zinc/45/00/55/404450055.db2.gz AZOGUUOTWCWFPU-HNNXBMFYSA-N 1 3 322.497 2.129 20 0 DEADHO Cc1ccccc1CN1CCCN(C(=O)[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000373798423 404591805 /nfs/dbraw/zinc/59/18/05/404591805.db2.gz FBEAJVBWEJJCHL-HZPDHXFCSA-N 1 3 303.450 2.013 20 0 DEADHO CC(C)[NH+](CCN(C)C(=O)C1CCN(C2CC2)CC1)C(C)C ZINC000338799133 404553291 /nfs/dbraw/zinc/55/32/91/404553291.db2.gz GAHVXXLPQYRHBC-UHFFFAOYSA-N 1 3 309.498 2.438 20 0 DEADHO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297574979 404571435 /nfs/dbraw/zinc/57/14/35/404571435.db2.gz IAWFKJOUMYEUPX-KSSFIOAISA-N 1 3 300.450 2.123 20 0 DEADHO C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+]Cc2cnc(N(C)C)n2C)C1 ZINC000414325726 404578432 /nfs/dbraw/zinc/57/84/32/404578432.db2.gz XMSCVASHZGGULH-GASCZTMLSA-N 1 3 321.513 2.332 20 0 DEADHO CC[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@H](O)C(F)(F)F ZINC000297806107 404629513 /nfs/dbraw/zinc/62/95/13/404629513.db2.gz XVCPVGKFKDCUPD-KGLIPLIRSA-N 1 3 317.355 2.342 20 0 DEADHO OCC1([NH2+][C@@H]2CCN3CCC[C@@H]3C2)C2CC3CC(C2)CC1C3 ZINC000414560752 404681356 /nfs/dbraw/zinc/68/13/56/404681356.db2.gz RKBDVFGNTFPIQX-IUSBLUBVSA-N 1 3 304.478 2.390 20 0 DEADHO CCC[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414672953 404705188 /nfs/dbraw/zinc/70/51/88/404705188.db2.gz PUWKINKVILWVHO-KRWDZBQOSA-N 1 3 303.450 2.096 20 0 DEADHO CCC[N@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414672953 404705189 /nfs/dbraw/zinc/70/51/89/404705189.db2.gz PUWKINKVILWVHO-KRWDZBQOSA-N 1 3 303.450 2.096 20 0 DEADHO CC1CCC(O)(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000374422826 404706657 /nfs/dbraw/zinc/70/66/57/404706657.db2.gz SPKPYDOLKCZXLD-ONWVLEABSA-N 1 3 310.482 2.111 20 0 DEADHO C[C@@H]1C[C@H](CN2CCN(c3ccc(Cl)cn3)CC2)CC[NH2+]1 ZINC000414680570 404706834 /nfs/dbraw/zinc/70/68/34/404706834.db2.gz UQTCXZRPGRPEDC-ZIAGYGMSSA-N 1 3 308.857 2.245 20 0 DEADHO Cc1nn(C(C)C)cc1CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414768458 404728715 /nfs/dbraw/zinc/72/87/15/404728715.db2.gz ICMBFORDJWPWNP-SJORKVTESA-N 1 3 306.454 2.101 20 0 DEADHO CCOC(=O)c1ccc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000414784421 404734848 /nfs/dbraw/zinc/73/48/48/404734848.db2.gz RENDBKUBBZJXLH-KGLIPLIRSA-N 1 3 306.406 2.278 20 0 DEADHO O[C@H]1C[NH2+]C[C@@H]1CNCC(Cc1ccccc1)Cc1ccccc1 ZINC000414787370 404735745 /nfs/dbraw/zinc/73/57/45/404735745.db2.gz MQLGEDQAQHCXRW-SFTDATJTSA-N 1 3 324.468 2.258 20 0 DEADHO CCN(C)c1ccc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000414789255 404736032 /nfs/dbraw/zinc/73/60/32/404736032.db2.gz YFRKMSWKCFFTDW-IRXDYDNUSA-N 1 3 302.466 2.359 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000414803276 404739194 /nfs/dbraw/zinc/73/91/94/404739194.db2.gz WJADETQWOMTOIJ-RYQLBKOJSA-N 1 3 304.434 2.461 20 0 DEADHO CCOc1c(OC)cc(CN[C@H]2CCC[C@H]2C[NH3+])cc1OC ZINC000414806018 404739430 /nfs/dbraw/zinc/73/94/30/404739430.db2.gz ZEYZIHFQXJUTSS-KBPBESRZSA-N 1 3 308.422 2.320 20 0 DEADHO COC(=O)[C@H](C)Oc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000414809834 404740091 /nfs/dbraw/zinc/74/00/91/404740091.db2.gz UQGJKTGPWNXPKV-JLJPHGGASA-N 1 3 320.433 2.234 20 0 DEADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCC[C@H](C)[NH3+] ZINC000414817831 404741333 /nfs/dbraw/zinc/74/13/33/404741333.db2.gz BWMCOMWJGAJKMG-WDEREUQCSA-N 1 3 313.829 2.393 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCCCN1CC ZINC000353114826 404745933 /nfs/dbraw/zinc/74/59/33/404745933.db2.gz UASVOALMVMKIBM-CVEARBPZSA-N 1 3 310.486 2.034 20 0 DEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCCCN1CC ZINC000353114826 404745934 /nfs/dbraw/zinc/74/59/34/404745934.db2.gz UASVOALMVMKIBM-CVEARBPZSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@H](NC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)C1=CCN(C)CC1 ZINC000357858207 404746192 /nfs/dbraw/zinc/74/61/92/404746192.db2.gz UVAKTMFNOYKPOW-PMPSAXMXSA-N 1 3 322.497 2.056 20 0 DEADHO C[C@H](NC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)C1=CCN(C)CC1 ZINC000357858207 404746195 /nfs/dbraw/zinc/74/61/95/404746195.db2.gz UVAKTMFNOYKPOW-PMPSAXMXSA-N 1 3 322.497 2.056 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000414853492 404749344 /nfs/dbraw/zinc/74/93/44/404749344.db2.gz KVBQVRARYNJGOG-KKUMJFAQSA-N 1 3 319.449 2.390 20 0 DEADHO CN(C)CCOc1cccc(NC(=O)NC(C)(C)CCC[NH3+])c1 ZINC000414875858 404754564 /nfs/dbraw/zinc/75/45/64/404754564.db2.gz CLJVQEXQZIQSMZ-UHFFFAOYSA-N 1 3 322.453 2.266 20 0 DEADHO [NH3+]CCCCNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000414914166 404765048 /nfs/dbraw/zinc/76/50/48/404765048.db2.gz XEOLAJPQDQXYQF-UHFFFAOYSA-N 1 3 314.220 2.403 20 0 DEADHO C[C@H]1C[C@H](CN2CCN(c3cc(F)ccc3F)CC2)CC[NH2+]1 ZINC000414702925 404711526 /nfs/dbraw/zinc/71/15/26/404711526.db2.gz VNNYESJXJXPUQX-UONOGXRCSA-N 1 3 309.404 2.475 20 0 DEADHO [NH3+]CCCN1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000414740475 404720997 /nfs/dbraw/zinc/72/09/97/404720997.db2.gz GMQGQBGRZZMHSJ-CYBMUJFWSA-N 1 3 308.401 2.008 20 0 DEADHO C[C@@H]1NCCC[C@H]1[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000414958285 404776286 /nfs/dbraw/zinc/77/62/86/404776286.db2.gz RPTPYJPDHPOIGU-QFBILLFUSA-N 1 3 301.478 2.424 20 0 DEADHO C[C@H]1NCCC[C@@H]1[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000414958283 404776328 /nfs/dbraw/zinc/77/63/28/404776328.db2.gz RPTPYJPDHPOIGU-APWZRJJASA-N 1 3 301.478 2.424 20 0 DEADHO COC(=O)c1cccc2c1CCN(C[C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC000415099348 404807336 /nfs/dbraw/zinc/80/73/36/404807336.db2.gz XYGSHFDCWDUIOK-KBPBESRZSA-N 1 3 302.418 2.219 20 0 DEADHO F[C@H]1C[C@@H](CNC[C@H]2CCC[NH2+]C2)N(Cc2cccs2)C1 ZINC000415107437 404808661 /nfs/dbraw/zinc/80/86/61/404808661.db2.gz OTMJBILWSLJEAU-KKUMJFAQSA-N 1 3 311.470 2.250 20 0 DEADHO CC[C@](CNC[C@@H]1CCC[NH2+]C1)(C(=O)OC)c1ccccc1 ZINC000415138910 404817715 /nfs/dbraw/zinc/81/77/15/404817715.db2.gz KUVPSHLESHOWGW-CRAIPNDOSA-N 1 3 304.434 2.097 20 0 DEADHO Cc1cc(CN2CCC(O)(C[NH3+])CC2)cc(C)c1OC(F)F ZINC000415141349 404818108 /nfs/dbraw/zinc/81/81/08/404818108.db2.gz NANCPCRZRLIMCW-UHFFFAOYSA-N 1 3 314.376 2.190 20 0 DEADHO C[C@H]1CN(CC2CC[NH+](CCOC3CCC3)CC2)C[C@H](C)O1 ZINC000376499306 404823849 /nfs/dbraw/zinc/82/38/49/404823849.db2.gz CFDBTNAXKBBHBP-HOTGVXAUSA-N 1 3 310.482 2.377 20 0 DEADHO Cc1ccc(NC(=O)N[C@H](C)CCC[NH3+])c(OCCN(C)C)c1 ZINC000415201273 404826495 /nfs/dbraw/zinc/82/64/95/404826495.db2.gz FYIIQKRAOLOCSA-CQSZACIVSA-N 1 3 322.453 2.184 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000415560503 404884167 /nfs/dbraw/zinc/88/41/67/404884167.db2.gz FWTVMEHFBKVAKE-MRXNPFEDSA-N 1 3 318.465 2.444 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)NCCC1=CC[NH2+]CC1 ZINC000415566678 404885479 /nfs/dbraw/zinc/88/54/79/404885479.db2.gz JEMLTCLAZGSDLD-UHFFFAOYSA-N 1 3 316.449 2.222 20 0 DEADHO C[NH+]1CCC2(CCCN(CC(=O)NCCC(C)(C)C)C2)CC1 ZINC000366865969 404860639 /nfs/dbraw/zinc/86/06/39/404860639.db2.gz QAROOTBOZYDQEX-UHFFFAOYSA-N 1 3 309.498 2.347 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000361083006 404909331 /nfs/dbraw/zinc/90/93/31/404909331.db2.gz WYTJFFORILXIBA-YJBOKZPZSA-N 1 3 317.477 2.385 20 0 DEADHO CCC[C@H]([NH3+])C(=O)N[C@H](CN1CCCC1)c1ccc(OC)cc1 ZINC000423886176 404911963 /nfs/dbraw/zinc/91/19/63/404911963.db2.gz FBXDDZRYXZPAEG-DLBZAZTESA-N 1 3 319.449 2.076 20 0 DEADHO NC1(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCCCC1 ZINC000423898292 404918369 /nfs/dbraw/zinc/91/83/69/404918369.db2.gz ICXDPEWNLVHMIQ-HOCLYGCPSA-N 1 3 305.466 2.123 20 0 DEADHO NC1(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCCCC1 ZINC000423898292 404918371 /nfs/dbraw/zinc/91/83/71/404918371.db2.gz ICXDPEWNLVHMIQ-HOCLYGCPSA-N 1 3 305.466 2.123 20 0 DEADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC(C)(C)N1CCCCC1 ZINC000416834283 404927838 /nfs/dbraw/zinc/92/78/38/404927838.db2.gz RZFGFRQSFHHXGU-CABCVRRESA-N 1 3 310.486 2.162 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000416833742 404928084 /nfs/dbraw/zinc/92/80/84/404928084.db2.gz CWBVQZWQWYNWEU-HOTGVXAUSA-N 1 3 306.454 2.106 20 0 DEADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000416842124 404931586 /nfs/dbraw/zinc/93/15/86/404931586.db2.gz MRTQTHRLEWVHEJ-DLBZAZTESA-N 1 3 318.465 2.121 20 0 DEADHO CC(C)(C)[C@H](C[NH3+])NC(=O)c1cccc(CN2CCCC2)c1 ZINC000423957811 404947017 /nfs/dbraw/zinc/94/70/17/404947017.db2.gz PVHDRNSYJKTEIF-INIZCTEOSA-N 1 3 303.450 2.386 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC2(C1)CC[NH2+]CC2)N1CCCCC1 ZINC000378393741 404951675 /nfs/dbraw/zinc/95/16/75/404951675.db2.gz IJTCMAJKOYKDPG-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CC34CCCC4)CC2)CC1 ZINC000354012933 405002681 /nfs/dbraw/zinc/00/26/81/405002681.db2.gz BLZAULDLTDMVLB-QGZVFWFLSA-N 1 3 319.493 2.242 20 0 DEADHO CCO[C@@H]1C[C@@H]([NH2+]CCCN2CCN(C(C)C)CC2)C12CCC2 ZINC000451481266 405008242 /nfs/dbraw/zinc/00/82/42/405008242.db2.gz RBTMUZSYURJIOP-QZTJIDSGSA-N 1 3 323.525 2.340 20 0 DEADHO CC(C)N1CCN(CCC[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000451481350 405008937 /nfs/dbraw/zinc/00/89/37/405008937.db2.gz SYFWGTYRBAJCBG-KURKYZTESA-N 1 3 323.525 2.196 20 0 DEADHO CO[C@@H]1CCN(C[C@@H](C)C[N@@H+]2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000451557844 405011126 /nfs/dbraw/zinc/01/11/26/405011126.db2.gz FLINDWXAOJXIKU-ZKXLYKBJSA-N 1 3 312.498 2.336 20 0 DEADHO CO[C@@H]1CCN(C[C@@H](C)C[N@H+]2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000451557844 405011129 /nfs/dbraw/zinc/01/11/29/405011129.db2.gz FLINDWXAOJXIKU-ZKXLYKBJSA-N 1 3 312.498 2.336 20 0 DEADHO CO[C@@H]1CC[N@@H+](C[C@@H](C)CN2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000451557844 405011134 /nfs/dbraw/zinc/01/11/34/405011134.db2.gz FLINDWXAOJXIKU-ZKXLYKBJSA-N 1 3 312.498 2.336 20 0 DEADHO CO[C@@H]1CC[N@H+](C[C@@H](C)CN2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000451557844 405011138 /nfs/dbraw/zinc/01/11/38/405011138.db2.gz FLINDWXAOJXIKU-ZKXLYKBJSA-N 1 3 312.498 2.336 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2C[C@@H](C)NC[C@H]2C)C1 ZINC000417042590 405016281 /nfs/dbraw/zinc/01/62/81/405016281.db2.gz LRUBAGIKBYKNIR-YYIAUSFCSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2C[C@@H](C)NC[C@H]2C)C1 ZINC000417042590 405016285 /nfs/dbraw/zinc/01/62/85/405016285.db2.gz LRUBAGIKBYKNIR-YYIAUSFCSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000379643555 405027021 /nfs/dbraw/zinc/02/70/21/405027021.db2.gz BHXJGAIYBJOWDX-BPQIPLTHSA-N 1 3 315.461 2.013 20 0 DEADHO CC(C)[NH2+]CC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000379659152 405027481 /nfs/dbraw/zinc/02/74/81/405027481.db2.gz YVKHGQHPTBZVPC-QGZVFWFLSA-N 1 3 303.450 2.155 20 0 DEADHO COC(=O)COc1c(C)cc(CN2CC[C@@H]([C@H](C)[NH3+])C2)cc1C ZINC000435374123 404975809 /nfs/dbraw/zinc/97/58/09/404975809.db2.gz HIGGRXWFRZHLAX-GOEBONIOSA-N 1 3 320.433 2.024 20 0 DEADHO CNCc1cccc(NC(=O)NCCCC[N@H+](C)C2CC2)c1 ZINC000415936033 404976644 /nfs/dbraw/zinc/97/66/44/404976644.db2.gz VBIJGSLLGPWHJJ-UHFFFAOYSA-N 1 3 304.438 2.402 20 0 DEADHO CNCc1cccc(NC(=O)NCCCC[N@@H+](C)C2CC2)c1 ZINC000415936033 404976648 /nfs/dbraw/zinc/97/66/48/404976648.db2.gz VBIJGSLLGPWHJJ-UHFFFAOYSA-N 1 3 304.438 2.402 20 0 DEADHO C[NH2+]Cc1cccc(NC(=O)N[C@@H](C)CN2CCCCC2)c1 ZINC000415938495 404977880 /nfs/dbraw/zinc/97/78/80/404977880.db2.gz YZXSFQXASWVKFS-AWEZNQCLSA-N 1 3 304.438 2.402 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cnn(CC)c2)[C@H](C)C1 ZINC000353978417 404981277 /nfs/dbraw/zinc/98/12/77/404981277.db2.gz KYUOSLOULJMNQX-NVXWUHKLSA-N 1 3 308.470 2.130 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)NCCCC[NH3+])c1ccsc1 ZINC000417004723 404996441 /nfs/dbraw/zinc/99/64/41/404996441.db2.gz HVQOQKPQXLZVET-AWEZNQCLSA-N 1 3 312.483 2.169 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CCN1C ZINC000417744088 405094701 /nfs/dbraw/zinc/09/47/01/405094701.db2.gz CMRQGVXSSQWWOT-TWMKSMIVSA-N 1 3 322.497 2.033 20 0 DEADHO CC[NH2+]CCNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000417740000 405095624 /nfs/dbraw/zinc/09/56/24/405095624.db2.gz RFGFGXDMPDWZTK-ZFWWWQNUSA-N 1 3 324.494 2.040 20 0 DEADHO CN1CCC[C@@H](CNC(=O)NC(C)(C)C[NH3+])[C@H]1c1cccs1 ZINC000417736481 405095675 /nfs/dbraw/zinc/09/56/75/405095675.db2.gz MTIUHTLAIXDMTA-JSGCOSHPSA-N 1 3 324.494 2.168 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000389928269 405040725 /nfs/dbraw/zinc/04/07/25/405040725.db2.gz YDAMDJSULFQBHE-HNAYVOBHSA-N 1 3 323.440 2.396 20 0 DEADHO C[C@H]1CC2(CN1CC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)CC[NH2+]CC2 ZINC000424291218 405059555 /nfs/dbraw/zinc/05/95/55/405059555.db2.gz NFTNFJKTLJADIN-QZWWFDLISA-N 1 3 321.509 2.391 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)N2CCCC[C@H]2C[NH3+])N(C)C)cc1 ZINC000417304871 405086065 /nfs/dbraw/zinc/08/60/65/405086065.db2.gz FVHSWPTYQHOSHT-DLBZAZTESA-N 1 3 318.465 2.121 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CN(CC)C[C@@H]2C)[C@H](C)C1 ZINC000361483319 405093142 /nfs/dbraw/zinc/09/31/42/405093142.db2.gz DEMXLAJUZAAOMY-VSZNYVQBSA-N 1 3 311.514 2.053 20 0 DEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000361510571 405108174 /nfs/dbraw/zinc/10/81/74/405108174.db2.gz JEMKKNXGXYVGFI-INMHGKMJSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](C[NH3+])N(C)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000418162851 405114917 /nfs/dbraw/zinc/11/49/17/405114917.db2.gz GDGHJIIVJPGFJG-OAHLLOKOSA-N 1 3 310.486 2.021 20 0 DEADHO C[C@@H](C[NH3+])NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000418564154 405133570 /nfs/dbraw/zinc/13/35/70/405133570.db2.gz IXZGHTOJURGASW-YQQAZPJKSA-N 1 3 318.465 2.028 20 0 DEADHO CCCN(C(=O)NC[C@H](N)c1ccccc1CC)[C@H]1CC[NH2+]C1 ZINC000418644395 405148014 /nfs/dbraw/zinc/14/80/14/405148014.db2.gz CCPJCTFXXLRQJC-RDJZCZTQSA-N 1 3 318.465 2.032 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418651295 405150472 /nfs/dbraw/zinc/15/04/72/405150472.db2.gz LMSHZNHYHXRZTE-FRFSOERESA-N 1 3 318.465 2.066 20 0 DEADHO O=C(NCCC[C@H]1CCC[NH2+]1)N1CCC[C@H]1CN1CCCCC1 ZINC000418752515 405193286 /nfs/dbraw/zinc/19/32/86/405193286.db2.gz TUQLAOICYYVGGP-SJORKVTESA-N 1 3 322.497 2.179 20 0 DEADHO C[C@@H]1CN(C(=O)NCCC[C@H]2CCC[NH2+]2)CCN(C2CCC2)C1 ZINC000418757735 405196117 /nfs/dbraw/zinc/19/61/17/405196117.db2.gz ZBUAPKOVJHYFLY-JKSUJKDBSA-N 1 3 322.497 2.034 20 0 DEADHO O=C(NCCC[C@@H]1CCC[NH2+]1)N1CCN(C2CCCCC2)CC1 ZINC000418765912 405197705 /nfs/dbraw/zinc/19/77/05/405197705.db2.gz KDTBGTOYHVZJPG-INIZCTEOSA-N 1 3 322.497 2.179 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418792882 405203533 /nfs/dbraw/zinc/20/35/33/405203533.db2.gz PHIUIOXEWQTYJT-DLBZAZTESA-N 1 3 324.513 2.267 20 0 DEADHO CN(C)C1(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCC1 ZINC000438519980 405249308 /nfs/dbraw/zinc/24/93/08/405249308.db2.gz UOYPJXKITYUJAI-HNNXBMFYSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C)C1(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCC1 ZINC000438519980 405249312 /nfs/dbraw/zinc/24/93/12/405249312.db2.gz UOYPJXKITYUJAI-HNNXBMFYSA-N 1 3 307.482 2.242 20 0 DEADHO CCN1CCC[C@@H](NC(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)C1 ZINC000438864773 405256802 /nfs/dbraw/zinc/25/68/02/405256802.db2.gz ZKKIVGQPLWZISB-SJORKVTESA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCC[C@@H](NC(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)C1 ZINC000438864773 405256803 /nfs/dbraw/zinc/25/68/03/405256803.db2.gz ZKKIVGQPLWZISB-SJORKVTESA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H](C(=O)Nc1cccc(F)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420327711 405320554 /nfs/dbraw/zinc/32/05/54/405320554.db2.gz DRGPEJGEQJEYFE-MCIONIFRSA-N 1 3 305.397 2.084 20 0 DEADHO C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420327712 405320864 /nfs/dbraw/zinc/32/08/64/405320864.db2.gz DRGPEJGEQJEYFE-MELADBBJSA-N 1 3 305.397 2.084 20 0 DEADHO COC(=O)c1ccccc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420329557 405321472 /nfs/dbraw/zinc/32/14/72/405321472.db2.gz OREWKIWBHINECY-CABCVRRESA-N 1 3 302.418 2.295 20 0 DEADHO CC(C)N(C(=O)[C@H](C)N1CCC([C@H]2CCC[NH2+]2)CC1)C(C)C ZINC000420331401 405322059 /nfs/dbraw/zinc/32/20/59/405322059.db2.gz BXJYWLHMHXAQDK-DOTOQJQBSA-N 1 3 309.498 2.484 20 0 DEADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NC1CCCCCC1 ZINC000420344963 405326832 /nfs/dbraw/zinc/32/68/32/405326832.db2.gz VHJUAHSVXMWJHX-HOTGVXAUSA-N 1 3 307.482 2.147 20 0 DEADHO C[C@H](c1nc(-c2cccnc2)no1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420345047 405327308 /nfs/dbraw/zinc/32/73/08/405327308.db2.gz UYFIPWIHFGTGPN-MCIONIFRSA-N 1 3 313.405 2.124 20 0 DEADHO Clc1cccc(OCCCN2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000420349077 405328761 /nfs/dbraw/zinc/32/87/61/405328761.db2.gz NREXJUJFAJFSBE-INIZCTEOSA-N 1 3 323.868 2.088 20 0 DEADHO COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](C)CN(C)C)c1 ZINC000425932425 405331348 /nfs/dbraw/zinc/33/13/48/405331348.db2.gz QAEUOXRAJFMXBS-ZIAGYGMSSA-N 1 3 307.438 2.200 20 0 DEADHO COc1cccc(NC(=O)C[C@@H](C)NC[C@@H](C)C[NH+](C)C)c1 ZINC000425932425 405331350 /nfs/dbraw/zinc/33/13/50/405331350.db2.gz QAEUOXRAJFMXBS-ZIAGYGMSSA-N 1 3 307.438 2.200 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](CO)[C@H]2C)CC1 ZINC000425975831 405333638 /nfs/dbraw/zinc/33/36/38/405333638.db2.gz HQLYVYWJKAKFCM-AEFFLSMTSA-N 1 3 317.477 2.031 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](CO)[C@H]2C)CC1 ZINC000425975831 405333639 /nfs/dbraw/zinc/33/36/39/405333639.db2.gz HQLYVYWJKAKFCM-AEFFLSMTSA-N 1 3 317.477 2.031 20 0 DEADHO COc1ccc(NC(=O)CCN[C@H]2CC[NH2+]CC2(C)C)cc1 ZINC000420370982 405335360 /nfs/dbraw/zinc/33/53/60/405335360.db2.gz WMIDINSRJQVVJF-HNNXBMFYSA-N 1 3 305.422 2.002 20 0 DEADHO COc1ccc(NC(=O)CC[NH2+][C@H]2CCNCC2(C)C)cc1 ZINC000420370982 405335361 /nfs/dbraw/zinc/33/53/61/405335361.db2.gz WMIDINSRJQVVJF-HNNXBMFYSA-N 1 3 305.422 2.002 20 0 DEADHO CC(C)(C)c1ccc2c(c1)CN(CCN1CC[NH2+]CC1)CC2 ZINC000420372733 405336106 /nfs/dbraw/zinc/33/61/06/405336106.db2.gz LWKVRESISZZROK-UHFFFAOYSA-N 1 3 301.478 2.247 20 0 DEADHO CSc1ccccc1C[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420372335 405336160 /nfs/dbraw/zinc/33/61/60/405336160.db2.gz FDSMCYZAEUGHGE-OAHLLOKOSA-N 1 3 317.462 2.296 20 0 DEADHO CSc1ccccc1C[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420372335 405336163 /nfs/dbraw/zinc/33/61/63/405336163.db2.gz FDSMCYZAEUGHGE-OAHLLOKOSA-N 1 3 317.462 2.296 20 0 DEADHO Cc1nc2c(s1)[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)CCC2 ZINC000442875879 405337356 /nfs/dbraw/zinc/33/73/56/405337356.db2.gz UNMNAAFASYHZKW-AWEZNQCLSA-N 1 3 322.522 2.445 20 0 DEADHO CC(C)O[C@H]1C[C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C1(C)C ZINC000442872701 405337439 /nfs/dbraw/zinc/33/74/39/405337439.db2.gz ITGBEUCDVNFXGF-CVEARBPZSA-N 1 3 311.514 2.194 20 0 DEADHO [NH3+][C@H]1CCO[C@@H](C2CCN(CCOc3ccc(F)cc3)CC2)C1 ZINC000420386699 405340121 /nfs/dbraw/zinc/34/01/21/405340121.db2.gz JKLADDWKBOTXNX-FUHWJXTLSA-N 1 3 322.424 2.423 20 0 DEADHO C[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)N(C)C ZINC000454906362 405378111 /nfs/dbraw/zinc/37/81/11/405378111.db2.gz SBAYOARYRSXAQS-GOEBONIOSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)N(C)C ZINC000454906362 405378115 /nfs/dbraw/zinc/37/81/15/405378115.db2.gz SBAYOARYRSXAQS-GOEBONIOSA-N 1 3 310.486 2.033 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(C)C[C@H]1CCCN1C ZINC000420824983 405391433 /nfs/dbraw/zinc/39/14/33/405391433.db2.gz YICOSULNWFQYCT-DLBZAZTESA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N(C)C[C@H]1CCCN1C ZINC000420824983 405391435 /nfs/dbraw/zinc/39/14/35/405391435.db2.gz YICOSULNWFQYCT-DLBZAZTESA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)[C@@H](COCc1ccccc1)NC[C@@H](O)C[NH+]1CCCC1 ZINC000446753062 405392329 /nfs/dbraw/zinc/39/23/29/405392329.db2.gz RGPNACNJNHFGMQ-RTBURBONSA-N 1 3 320.477 2.274 20 0 DEADHO CN(C[C@H]1CCCN1C)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000420925526 405407216 /nfs/dbraw/zinc/40/72/16/405407216.db2.gz YSBVESBWLOKIGC-CABCVRRESA-N 1 3 312.502 2.088 20 0 DEADHO CN(CCC(=O)N[C@@H]1CCCc2ccccc21)CC(C)(C)C[NH3+] ZINC000430561330 405457460 /nfs/dbraw/zinc/45/74/60/405457460.db2.gz KFTCDBSRMDAEDA-QGZVFWFLSA-N 1 3 317.477 2.487 20 0 DEADHO C[N@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)CC(C)(C)CN ZINC000430561330 405457462 /nfs/dbraw/zinc/45/74/62/405457462.db2.gz KFTCDBSRMDAEDA-QGZVFWFLSA-N 1 3 317.477 2.487 20 0 DEADHO C[N@@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)CC(C)(C)CN ZINC000430561330 405457463 /nfs/dbraw/zinc/45/74/63/405457463.db2.gz KFTCDBSRMDAEDA-QGZVFWFLSA-N 1 3 317.477 2.487 20 0 DEADHO C[C@@H]1CCC[N@H+](CCc2nc(-c3ccccc3)no2)[C@H]1CN ZINC000430563820 405458175 /nfs/dbraw/zinc/45/81/75/405458175.db2.gz KFBDTWYVQAYIIB-HIFRSBDPSA-N 1 3 300.406 2.338 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCc2nc(-c3ccccc3)no2)[C@H]1CN ZINC000430563820 405458179 /nfs/dbraw/zinc/45/81/79/405458179.db2.gz KFBDTWYVQAYIIB-HIFRSBDPSA-N 1 3 300.406 2.338 20 0 DEADHO CC(C)[C@H]([NH3+])CCN(C)CCC(=O)N1CCc2ccccc21 ZINC000430572020 405459689 /nfs/dbraw/zinc/45/96/89/405459689.db2.gz PASRHADAXLFEOJ-MRXNPFEDSA-N 1 3 303.450 2.271 20 0 DEADHO CC[NH2+]CC1CCN([C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000430581343 405461198 /nfs/dbraw/zinc/46/11/98/405461198.db2.gz HEYZTAPTLDYCLC-BZUAXINKSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@](C[NH3+])(NCCCc1nc(-c2ccccc2)no1)C1CC1 ZINC000430589869 405462869 /nfs/dbraw/zinc/46/28/69/405462869.db2.gz JGWDRAVQHGCBNP-QGZVFWFLSA-N 1 3 300.406 2.386 20 0 DEADHO Cc1cccc2cc(C(=O)N(CCN(C)C)CC[NH+](C)C)oc21 ZINC000556689988 405505356 /nfs/dbraw/zinc/50/53/56/405505356.db2.gz CDSONTSIVRJFHZ-UHFFFAOYSA-N 1 3 317.433 2.307 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CC[NH2+]C12CCC2)[C@H](N)c1ccccc1 ZINC000638508799 405517005 /nfs/dbraw/zinc/51/70/05/405517005.db2.gz BCLMQWSORMTPGO-HUUCEWRRSA-N 1 3 301.434 2.113 20 0 DEADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430887104 405520728 /nfs/dbraw/zinc/52/07/28/405520728.db2.gz DKDLOPJLQNJOIT-ZSNVMCELSA-N 1 3 307.482 2.286 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]CC[C@@H](C)CCO)CC1 ZINC000449357885 405525445 /nfs/dbraw/zinc/52/54/45/405525445.db2.gz MKZUUKSEBHUPMW-QGZVFWFLSA-N 1 3 319.493 2.327 20 0 DEADHO [NH3+]C[C@@H]1CCN(CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000430939331 405537441 /nfs/dbraw/zinc/53/74/41/405537441.db2.gz KTVBQNLXGMNGKF-NSHDSACASA-N 1 3 306.797 2.213 20 0 DEADHO [NH3+]Cc1cccc2c1N(C(=O)[C@H]1CNCc3ccccc31)CCC2 ZINC000638542571 405537536 /nfs/dbraw/zinc/53/75/36/405537536.db2.gz BBSQNTLBQYGMPZ-SFHVURJKSA-N 1 3 321.424 2.312 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1cccc(C2CC2)c1 ZINC000556822824 405540358 /nfs/dbraw/zinc/54/03/58/405540358.db2.gz KNVUTJQVBUYKMZ-UHFFFAOYSA-N 1 3 317.477 2.058 20 0 DEADHO C[C@H](CC(=O)N1CCCc2cccc(CN)c21)[C@H]1CCC[NH2+]C1 ZINC000638546437 405540612 /nfs/dbraw/zinc/54/06/12/405540612.db2.gz DXYCWCROTBXNML-PBHICJAKSA-N 1 3 315.461 2.450 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000528285975 405551496 /nfs/dbraw/zinc/55/14/96/405551496.db2.gz DJJTWDQUAIYKJT-SJORKVTESA-N 1 3 322.497 2.129 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000528285975 405551508 /nfs/dbraw/zinc/55/15/08/405551508.db2.gz DJJTWDQUAIYKJT-SJORKVTESA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H]([NH3+])C1CCN([C@H](C)C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000430968141 405551565 /nfs/dbraw/zinc/55/15/65/405551565.db2.gz XDHOYASYZDAQAE-CHWSQXEVSA-N 1 3 323.868 2.404 20 0 DEADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC000635848402 405551894 /nfs/dbraw/zinc/55/18/94/405551894.db2.gz DHEPERYKRFAXBK-DOTOQJQBSA-N 1 3 317.477 2.444 20 0 DEADHO C[C@H](CNC1CC[NH+](CC(C)(C)O)CC1)Oc1ccc(F)cc1 ZINC000638700785 405625711 /nfs/dbraw/zinc/62/57/11/405625711.db2.gz LOUWBJDGPHEXPD-CQSZACIVSA-N 1 3 324.440 2.418 20 0 DEADHO C[N@H+](C[C@@H](O)CNCC1(c2cccc(Cl)c2)CC1)C1CC1 ZINC000568621432 292354665 /nfs/dbraw/zinc/35/46/65/292354665.db2.gz ZGJMPSHWQBOLFR-INIZCTEOSA-N 1 3 308.853 2.416 20 0 DEADHO C[N@@H+](C[C@@H](O)CNCC1(c2cccc(Cl)c2)CC1)C1CC1 ZINC000568621432 292354666 /nfs/dbraw/zinc/35/46/66/292354666.db2.gz ZGJMPSHWQBOLFR-INIZCTEOSA-N 1 3 308.853 2.416 20 0 DEADHO CCc1[nH+]c2ccccc2c(NCCN2CCN(C)CC2)c1C ZINC000558393271 405653003 /nfs/dbraw/zinc/65/30/03/405653003.db2.gz SCADEMPKMULIBU-UHFFFAOYSA-N 1 3 312.461 2.187 20 0 DEADHO CC(C)(CC[NH3+])NC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000422621097 405672951 /nfs/dbraw/zinc/67/29/51/405672951.db2.gz PRTHQPATZIWTSY-UHFFFAOYSA-N 1 3 324.513 2.459 20 0 DEADHO CC[NH+](CC)CCCNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000431783156 405674558 /nfs/dbraw/zinc/67/45/58/405674558.db2.gz IASJZVSJJXIJTJ-INIZCTEOSA-N 1 3 310.486 2.034 20 0 DEADHO COc1cc(F)cc(C[NH2+]C2CCN(CC(C)(C)O)CC2)c1 ZINC000638799382 405676204 /nfs/dbraw/zinc/67/62/04/405676204.db2.gz BOKRCUZLFWKRIU-UHFFFAOYSA-N 1 3 310.413 2.159 20 0 DEADHO O=C(NCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1)C1CCC1 ZINC000422922499 405690451 /nfs/dbraw/zinc/69/04/51/405690451.db2.gz SXXJXTDRVAKXCG-YESZJQIVSA-N 1 3 307.482 2.193 20 0 DEADHO O=C(NCCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C1CCC1 ZINC000422922499 405690460 /nfs/dbraw/zinc/69/04/60/405690460.db2.gz SXXJXTDRVAKXCG-YESZJQIVSA-N 1 3 307.482 2.193 20 0 DEADHO C(CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)COC1CCCCC1 ZINC000422780977 405681111 /nfs/dbraw/zinc/68/11/11/405681111.db2.gz IDIDYUOVHYSSJL-KZNAEPCWSA-N 1 3 310.482 2.473 20 0 DEADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCCN1CC=CCC1 ZINC000423096306 405702255 /nfs/dbraw/zinc/70/22/55/405702255.db2.gz OQYMAUWTLAPKBK-IEBWSBKVSA-N 1 3 313.445 2.094 20 0 DEADHO CC[C@@H]([NH2+]CCN1CCc2ccccc2C1=O)[C@@H]1CCCCN1 ZINC000423076768 405699965 /nfs/dbraw/zinc/69/99/65/405699965.db2.gz ZRTCRQUMORBHCL-MSOLQXFVSA-N 1 3 315.461 2.195 20 0 DEADHO C[C@H](C[NH3+])C(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000638831357 405700419 /nfs/dbraw/zinc/70/04/19/405700419.db2.gz ZZZAVYXHXBUZED-ZWNOBZJWSA-N 1 3 317.355 2.019 20 0 DEADHO c1c(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)nc2n1CCS2 ZINC000423075009 405700433 /nfs/dbraw/zinc/70/04/33/405700433.db2.gz WAYBMEZDGHCQJB-KFWWJZLASA-N 1 3 306.479 2.042 20 0 DEADHO CCC1(CC)[C@H](N[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C[C@H]1OC ZINC000422926308 405691710 /nfs/dbraw/zinc/69/17/10/405691710.db2.gz CQNTWLKYVNXVPZ-WRQOLXDDSA-N 1 3 310.482 2.327 20 0 DEADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1CCCCN1 ZINC000638837092 405704267 /nfs/dbraw/zinc/70/42/67/405704267.db2.gz XWUYLVAFURQORO-BPQIPLTHSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1CCCCN1 ZINC000638837092 405704271 /nfs/dbraw/zinc/70/42/71/405704271.db2.gz XWUYLVAFURQORO-BPQIPLTHSA-N 1 3 315.461 2.013 20 0 DEADHO CC(C)(CO)CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423158586 405705322 /nfs/dbraw/zinc/70/53/22/405705322.db2.gz OGBGDOKADLQHDT-MAUKXSAKSA-N 1 3 304.434 2.241 20 0 DEADHO CC1([NH+]2CCCC2)CCN(C(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000638858725 405720205 /nfs/dbraw/zinc/72/02/05/405720205.db2.gz CCZRPLCIBWEQCI-QGZVFWFLSA-N 1 3 315.461 2.033 20 0 DEADHO CC1([NH+]2CCCC2)CCN(C(=O)c2ccc3c(c2)CNC3)CC1 ZINC000638859260 405720818 /nfs/dbraw/zinc/72/08/18/405720818.db2.gz KPCKHLVXNSIQTM-UHFFFAOYSA-N 1 3 313.445 2.380 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)[C@H]([NH3+])C2CCC2)N(C)C)cc1 ZINC000423306536 405754633 /nfs/dbraw/zinc/75/46/33/405754633.db2.gz LQECRVYVTYGMEZ-IAGOWNOFSA-N 1 3 303.450 2.095 20 0 DEADHO CN(C(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)[C@@H]1CCN(C2CC2)C1 ZINC000423392651 405786880 /nfs/dbraw/zinc/78/68/80/405786880.db2.gz XYCGVYQVKVYXQY-IAGOWNOFSA-N 1 3 315.461 2.408 20 0 DEADHO CC(=O)NCCc1ccc([C@H](C)[NH2+][C@@H]2CCNC[C@@H]2C)cc1 ZINC000423389330 405787466 /nfs/dbraw/zinc/78/74/66/405787466.db2.gz JIKPZPAZQIASLJ-SUNYJGFJSA-N 1 3 303.450 2.014 20 0 DEADHO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H](N)C1CCC1)c1ccccc1 ZINC000423394426 405787771 /nfs/dbraw/zinc/78/77/71/405787771.db2.gz ZQFZEQDATZWOFT-XJKSGUPXSA-N 1 3 303.450 2.359 20 0 DEADHO CO[C@@](C)(C[NH2+]Cc1ccccc1CN1CC[C@H](O)C1)C1CC1 ZINC000638975860 405791216 /nfs/dbraw/zinc/79/12/16/405791216.db2.gz CMQGCTGRUDOKKK-OALUTQOASA-N 1 3 318.461 2.158 20 0 DEADHO C[NH2+]CCc1ccccc1C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000423405669 405792371 /nfs/dbraw/zinc/79/23/71/405792371.db2.gz ZYZRRJRQRYMDOR-HZPDHXFCSA-N 1 3 317.477 2.441 20 0 DEADHO CC[C@](C)(C[NH2+]Cc1ccccc1CN1CC[C@H](O)C1)OC ZINC000638977278 405792986 /nfs/dbraw/zinc/79/29/86/405792986.db2.gz QIMILUVEEYKHON-ZWKOTPCHSA-N 1 3 306.450 2.158 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)CS1 ZINC000638976151 405793324 /nfs/dbraw/zinc/79/33/24/405793324.db2.gz FPARBDVWAMRAIW-XYPHTWIQSA-N 1 3 306.475 2.237 20 0 DEADHO CN1CCC[C@H](CNC(=O)CC2(C[NH3+])CC2)[C@@H]1c1cccs1 ZINC000423416906 405798237 /nfs/dbraw/zinc/79/82/37/405798237.db2.gz DQUNOCGATKEHIP-CZUORRHYSA-N 1 3 321.490 2.376 20 0 DEADHO CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000584093471 405822064 /nfs/dbraw/zinc/82/20/64/405822064.db2.gz DVCQBWBPVNMCFR-INIZCTEOSA-N 1 3 324.513 2.090 20 0 DEADHO COc1ccc([C@H]2C[C@@H]2[C@H](C)NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423496357 405826857 /nfs/dbraw/zinc/82/68/57/405826857.db2.gz WNUBRWZSDSOMGI-VIBAHUMZSA-N 1 3 304.434 2.155 20 0 DEADHO COc1cc([C@@H](C)NCC2=CC[NH2+]CC2)cc(OC)c1OC ZINC000423329719 405763631 /nfs/dbraw/zinc/76/36/31/405763631.db2.gz BLESNZRKWPKMNM-GFCCVEGCSA-N 1 3 306.406 2.283 20 0 DEADHO CCN1C[C@H](C)[C@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)C1 ZINC000423337704 405766743 /nfs/dbraw/zinc/76/67/43/405766743.db2.gz RJJJEIDEBOVYFS-JEDBISTDSA-N 1 3 317.477 2.071 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC[C@@H](CN2CCOCC2)C1 ZINC000450399326 405876831 /nfs/dbraw/zinc/87/68/31/405876831.db2.gz CPMHFVKLTIRVFY-RBUKOAKNSA-N 1 3 323.525 2.294 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1CN1CCC[C@@H](CN2CCOCC2)C1 ZINC000450399326 405876837 /nfs/dbraw/zinc/87/68/37/405876837.db2.gz CPMHFVKLTIRVFY-RBUKOAKNSA-N 1 3 323.525 2.294 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]CCC[C@H](C)O)CC1 ZINC000433203462 405899779 /nfs/dbraw/zinc/89/97/79/405899779.db2.gz XTJKOVGLERCQLC-INIZCTEOSA-N 1 3 305.466 2.079 20 0 DEADHO CN[C@@H](CC(C)(C)C)C(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000639068126 405858997 /nfs/dbraw/zinc/85/89/97/405858997.db2.gz QXPATJUUMGUBDX-HIFRSBDPSA-N 1 3 303.450 2.490 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C[C@H]1CC[NH2+]C1 ZINC000423748871 405945016 /nfs/dbraw/zinc/94/50/16/405945016.db2.gz VANNYOMKXCGBDW-QGZVFWFLSA-N 1 3 303.450 2.096 20 0 DEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000423762363 405953455 /nfs/dbraw/zinc/95/34/55/405953455.db2.gz QBSSGVFRNZCXRQ-OAHLLOKOSA-N 1 3 321.440 2.106 20 0 DEADHO C[C@@H]1C[C@@H](NCc2ccncc2OCCC[NH+](C)C)CS1 ZINC000639185599 405954770 /nfs/dbraw/zinc/95/47/70/405954770.db2.gz PRIRMEJOXLMWLJ-UKRRQHHQSA-N 1 3 309.479 2.396 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000423774773 405957820 /nfs/dbraw/zinc/95/78/20/405957820.db2.gz LRGIZRPCXBEQSR-IDCNUPLLSA-N 1 3 315.461 2.011 20 0 DEADHO CN(C)C[C@@H](NC(=O)C1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423777497 405960102 /nfs/dbraw/zinc/96/01/02/405960102.db2.gz RMOQFYXGMOHDJZ-OAHLLOKOSA-N 1 3 309.841 2.059 20 0 DEADHO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccccc2CN(C)C)C1 ZINC000433220013 405903507 /nfs/dbraw/zinc/90/35/07/405903507.db2.gz OJZNNPYORILDDD-OAHLLOKOSA-N 1 3 303.450 2.210 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCNC(=O)c2ccccc2CN(C)C)C1 ZINC000433220013 405903514 /nfs/dbraw/zinc/90/35/14/405903514.db2.gz OJZNNPYORILDDD-OAHLLOKOSA-N 1 3 303.450 2.210 20 0 DEADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433607631 405965252 /nfs/dbraw/zinc/96/52/52/405965252.db2.gz IEQLQWPPBIEJOD-HOCLYGCPSA-N 1 3 310.486 2.033 20 0 DEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433607631 405965256 /nfs/dbraw/zinc/96/52/56/405965256.db2.gz IEQLQWPPBIEJOD-HOCLYGCPSA-N 1 3 310.486 2.033 20 0 DEADHO [NH3+]C[C@@H](NCCc1nc2ccccc2c(=O)[nH]1)C1CCCCC1 ZINC000561283666 405917040 /nfs/dbraw/zinc/91/70/40/405917040.db2.gz UUZMUCTXPZVLTD-MRXNPFEDSA-N 1 3 314.433 2.375 20 0 DEADHO CC(C)(O)C[NH+]1CCC(NC[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000639301488 406031008 /nfs/dbraw/zinc/03/10/08/406031008.db2.gz FCDLILMEOPQKAC-INIZCTEOSA-N 1 3 310.482 2.303 20 0 DEADHO CC(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000423800336 405976956 /nfs/dbraw/zinc/97/69/56/405976956.db2.gz LKIMCNZTNQBGQW-VQHPVUNQSA-N 1 3 307.482 2.144 20 0 DEADHO Cn1cnc(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC000459653190 405998852 /nfs/dbraw/zinc/99/88/52/405998852.db2.gz DBQGRZSYTGSMRA-YSIASYRMSA-N 1 3 324.472 2.463 20 0 DEADHO Cn1cnc(CCN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000459653190 405998861 /nfs/dbraw/zinc/99/88/61/405998861.db2.gz DBQGRZSYTGSMRA-YSIASYRMSA-N 1 3 324.472 2.463 20 0 DEADHO Cn1cnc(CCN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000459653190 405998867 /nfs/dbraw/zinc/99/88/67/405998867.db2.gz DBQGRZSYTGSMRA-YSIASYRMSA-N 1 3 324.472 2.463 20 0 DEADHO CO[C@H](CNC[C@@H]1CCC[N@H+](CC2CC2)C1)C1CCOCC1 ZINC000639338336 406055578 /nfs/dbraw/zinc/05/55/78/406055578.db2.gz UIXGPLCNTANINZ-FUHWJXTLSA-N 1 3 310.482 2.140 20 0 DEADHO CO[C@H](CNC[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CCOCC1 ZINC000639338336 406055582 /nfs/dbraw/zinc/05/55/82/406055582.db2.gz UIXGPLCNTANINZ-FUHWJXTLSA-N 1 3 310.482 2.140 20 0 DEADHO CO[C@H](C[NH2+]C[C@@H]1CCCN(CC2CC2)C1)C1CCOCC1 ZINC000639338336 406055585 /nfs/dbraw/zinc/05/55/85/406055585.db2.gz UIXGPLCNTANINZ-FUHWJXTLSA-N 1 3 310.482 2.140 20 0 DEADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000567675016 406116308 /nfs/dbraw/zinc/11/63/08/406116308.db2.gz WNGIENOFRRJPAD-OIISXLGYSA-N 1 3 303.450 2.265 20 0 DEADHO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@@H](N2CCCC2)C1 ZINC000533344608 406137321 /nfs/dbraw/zinc/13/73/21/406137321.db2.gz BJRYUAWUCCZYAB-SJORKVTESA-N 1 3 305.466 2.090 20 0 DEADHO O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CC[C@@H](N2CCCC2)C1 ZINC000533344608 406137328 /nfs/dbraw/zinc/13/73/28/406137328.db2.gz BJRYUAWUCCZYAB-SJORKVTESA-N 1 3 305.466 2.090 20 0 DEADHO CC[NH+](CC)CC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000634456571 406138248 /nfs/dbraw/zinc/13/82/48/406138248.db2.gz GQRTXVVUKCTRGG-QGZVFWFLSA-N 1 3 303.450 2.027 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000533512950 406148551 /nfs/dbraw/zinc/14/85/51/406148551.db2.gz CEJPGHMUIRMBKP-NVXWUHKLSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000533512950 406148555 /nfs/dbraw/zinc/14/85/55/406148555.db2.gz CEJPGHMUIRMBKP-NVXWUHKLSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CN1CCC(C)(C)C1 ZINC000518584898 406150041 /nfs/dbraw/zinc/15/00/41/406150041.db2.gz VQQYZLPTFDKGFL-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CN1CCC(C)(C)C1 ZINC000518584898 406150043 /nfs/dbraw/zinc/15/00/43/406150043.db2.gz VQQYZLPTFDKGFL-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H](NC(=O)CC1CCN(C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000487051256 406201228 /nfs/dbraw/zinc/20/12/28/406201228.db2.gz ZOLGEPMTSCKTGD-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](NC(=O)CC1CCN(C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000487051256 406201233 /nfs/dbraw/zinc/20/12/33/406201233.db2.gz ZOLGEPMTSCKTGD-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO O[C@]1(CNCCc2ccoc2)CC[N@H+](Cc2ccccc2)C1 ZINC000634649145 406206943 /nfs/dbraw/zinc/20/69/43/406206943.db2.gz HSHWSCLDVNZBHR-SFHVURJKSA-N 1 3 300.402 2.049 20 0 DEADHO O[C@]1(CNCCc2ccoc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634649145 406206946 /nfs/dbraw/zinc/20/69/46/406206946.db2.gz HSHWSCLDVNZBHR-SFHVURJKSA-N 1 3 300.402 2.049 20 0 DEADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H]3CCCC[C@H]3O)CC2)C[C@@H](C)O1 ZINC000568946022 292378086 /nfs/dbraw/zinc/37/80/86/292378086.db2.gz ZQGUXDVTRXGBLY-ZAWLATJESA-N 1 3 324.509 2.359 20 0 DEADHO CC[C@@H]1CCCCN1C(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639761962 406240277 /nfs/dbraw/zinc/24/02/77/406240277.db2.gz IMFGYSPHRKFVSB-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCC[C@@H]3C)CC2)CC1 ZINC000569375870 406246899 /nfs/dbraw/zinc/24/68/99/406246899.db2.gz GHFLOWXHPKXFTA-YJBOKZPZSA-N 1 3 321.509 2.488 20 0 DEADHO OCC1([C@H](NCCC[NH+]2CCCCC2)[C@H]2CCCO2)CCC1 ZINC000639770049 406243821 /nfs/dbraw/zinc/24/38/21/406243821.db2.gz ZWWNLMTYWIAWDV-IAGOWNOFSA-N 1 3 310.482 2.162 20 0 DEADHO CC(C)(C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[C@H](N)c1ccccc1 ZINC000634742360 406258185 /nfs/dbraw/zinc/25/81/85/406258185.db2.gz JOQHEKURUDDEMB-LZQZEXGQSA-N 1 3 315.461 2.171 20 0 DEADHO C[C@H](C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)[C@@H](N)c1ccccc1 ZINC000634753666 406266296 /nfs/dbraw/zinc/26/62/96/406266296.db2.gz KZVKUNXPIGJNDF-CWRNSKLLSA-N 1 3 303.450 2.217 20 0 DEADHO C[NH2+]C[C@](C)(O)CN1CCC(CCc2ccc(O)cc2)CC1 ZINC000569612037 406279676 /nfs/dbraw/zinc/27/96/76/406279676.db2.gz RCAQOOMGDGFXEP-SFHVURJKSA-N 1 3 306.450 2.007 20 0 DEADHO CNC[C@](C)(O)C[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000569612037 406279682 /nfs/dbraw/zinc/27/96/82/406279682.db2.gz RCAQOOMGDGFXEP-SFHVURJKSA-N 1 3 306.450 2.007 20 0 DEADHO CCN1CCCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000637372946 406285551 /nfs/dbraw/zinc/28/55/51/406285551.db2.gz MHEWKUWGXVKASE-KRWDZBQOSA-N 1 3 322.497 2.131 20 0 DEADHO CCN1CCCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000637372946 406285556 /nfs/dbraw/zinc/28/55/56/406285556.db2.gz MHEWKUWGXVKASE-KRWDZBQOSA-N 1 3 322.497 2.131 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCCC3)CC2)CC1 ZINC000520858703 406320105 /nfs/dbraw/zinc/32/01/05/406320105.db2.gz SCGFXTPJAWLVOQ-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CCO[C@H]1C[C@H](Nc2cc(N3CCNCC3)cc[nH+]2)C12CCC2 ZINC000635008845 406399072 /nfs/dbraw/zinc/39/90/72/406399072.db2.gz KYLTZJLDNACMKV-HOTGVXAUSA-N 1 3 316.449 2.251 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)[C@H]1CC[NH2+][C@H]1C)c1ccccc1 ZINC000521867621 406370954 /nfs/dbraw/zinc/37/09/54/406370954.db2.gz MNBCJWSFWUVVAM-DZKIICNBSA-N 1 3 303.450 2.230 20 0 DEADHO CCN1CCC(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000571113248 406479408 /nfs/dbraw/zinc/47/94/08/406479408.db2.gz CJMAJRNJZIVSCB-KRWDZBQOSA-N 1 3 315.461 2.109 20 0 DEADHO CCN1CCC(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000571113248 406479412 /nfs/dbraw/zinc/47/94/12/406479412.db2.gz CJMAJRNJZIVSCB-KRWDZBQOSA-N 1 3 315.461 2.109 20 0 DEADHO CN(C)Cc1ccccc1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000635128218 406434132 /nfs/dbraw/zinc/43/41/32/406434132.db2.gz VRVGENCDUOUUBK-UHFFFAOYSA-N 1 3 315.461 2.240 20 0 DEADHO CC[NH2+][C@H](C)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000638099792 406568414 /nfs/dbraw/zinc/56/84/14/406568414.db2.gz JEUYYIZULBFLGA-HUUCEWRRSA-N 1 3 303.450 2.326 20 0 DEADHO O=C([C@@H]1CCN1C1CCCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000635419916 406531106 /nfs/dbraw/zinc/53/11/06/406531106.db2.gz KICSSAXRXGXORR-SFHVURJKSA-N 1 3 319.493 2.480 20 0 DEADHO Cc1ccc(OC[C@H](O)C[NH2+]C2CCN(CC(C)C)CC2)cc1 ZINC000571754887 406560072 /nfs/dbraw/zinc/56/00/72/406560072.db2.gz QFSLNJUMHSLYDJ-GOSISDBHSA-N 1 3 320.477 2.445 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000525812425 406505131 /nfs/dbraw/zinc/50/51/31/406505131.db2.gz FTKUBSDFRHMGDE-RDJZCZTQSA-N 1 3 324.513 2.231 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000525812425 406505137 /nfs/dbraw/zinc/50/51/37/406505137.db2.gz FTKUBSDFRHMGDE-RDJZCZTQSA-N 1 3 324.513 2.231 20 0 DEADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCCN(c2ccncc2)CC1 ZINC000640445278 406505898 /nfs/dbraw/zinc/50/58/98/406505898.db2.gz IKMHIXIRVOSUTH-HNNXBMFYSA-N 1 3 318.465 2.287 20 0 DEADHO CSC[C@@H](O)C[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000572028877 406597779 /nfs/dbraw/zinc/59/77/79/406597779.db2.gz JMEFEUPMIHDQDZ-AWEZNQCLSA-N 1 3 314.520 2.274 20 0 DEADHO CC(C)[NH2+]CC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000572060033 406601013 /nfs/dbraw/zinc/60/10/13/406601013.db2.gz LMCKQJGACYOBRA-WMZOPIPTSA-N 1 3 317.477 2.496 20 0 DEADHO O=C(N1CCCN(C2CCCC2)CC1)C12CCC[NH+](CCC1)C2 ZINC000635590596 406607003 /nfs/dbraw/zinc/60/70/03/406607003.db2.gz OCWCGNLIHZHIKC-UHFFFAOYSA-N 1 3 319.493 2.339 20 0 DEADHO Cc1nc(COc2ccc(C[NH2+]C[C@@H](C)CN(C)C)cc2)no1 ZINC000491591170 406628114 /nfs/dbraw/zinc/62/81/14/406628114.db2.gz IEQYALCAPIZRDR-CYBMUJFWSA-N 1 3 318.421 2.244 20 0 DEADHO Cc1nc(COc2ccc(C[NH2+]C[C@H](C)CN(C)C)cc2)no1 ZINC000491591171 406628852 /nfs/dbraw/zinc/62/88/52/406628852.db2.gz IEQYALCAPIZRDR-ZDUSSCGKSA-N 1 3 318.421 2.244 20 0 DEADHO CCN[C@H](C)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000638136158 406589702 /nfs/dbraw/zinc/58/97/02/406589702.db2.gz YAPVBVXCRMMWPH-HUUCEWRRSA-N 1 3 319.449 2.344 20 0 DEADHO CCN[C@H](C)C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000638136158 406589706 /nfs/dbraw/zinc/58/97/06/406589706.db2.gz YAPVBVXCRMMWPH-HUUCEWRRSA-N 1 3 319.449 2.344 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)/C=C\C[NH+](C)C)c1ccccc1 ZINC000491685047 406668681 /nfs/dbraw/zinc/66/86/81/406668681.db2.gz JJWJJJQZCWHVDG-QFSNBGPKSA-N 1 3 303.450 2.304 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)/C=C\C[NH+](C)C)N(C)C)cc1 ZINC000491685408 406669251 /nfs/dbraw/zinc/66/92/51/406669251.db2.gz KXJOTMUGBHDKOK-ZPUOCTKUSA-N 1 3 303.450 2.086 20 0 DEADHO CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000635690029 406683614 /nfs/dbraw/zinc/68/36/14/406683614.db2.gz OPQIKMGBDXQOSR-QZTJIDSGSA-N 1 3 315.461 2.061 20 0 DEADHO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000635690029 406683621 /nfs/dbraw/zinc/68/36/21/406683621.db2.gz OPQIKMGBDXQOSR-QZTJIDSGSA-N 1 3 315.461 2.061 20 0 DEADHO CN(CCN(C)C1CC1)C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000553223223 406743412 /nfs/dbraw/zinc/74/34/12/406743412.db2.gz XFNZDDJEOWOZKX-KRWDZBQOSA-N 1 3 315.461 2.061 20 0 DEADHO CN(CCN(C)C1CC1)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000553223223 406743415 /nfs/dbraw/zinc/74/34/15/406743415.db2.gz XFNZDDJEOWOZKX-KRWDZBQOSA-N 1 3 315.461 2.061 20 0 DEADHO CCN1CCC[C@@H](NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000527801290 406756710 /nfs/dbraw/zinc/75/67/10/406756710.db2.gz SMRUYLMFUQTFPO-NVXWUHKLSA-N 1 3 322.497 2.177 20 0 DEADHO CCN1CCC[C@@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000527801290 406756720 /nfs/dbraw/zinc/75/67/20/406756720.db2.gz SMRUYLMFUQTFPO-NVXWUHKLSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCN2C2CCCCC2)CC[N@@H+]1C ZINC000527813458 406761087 /nfs/dbraw/zinc/76/10/87/406761087.db2.gz ZSJLCYYONVPXNN-INMHGKMJSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCN2C2CCCCC2)CC[N@H+]1C ZINC000527813458 406761092 /nfs/dbraw/zinc/76/10/92/406761092.db2.gz ZSJLCYYONVPXNN-INMHGKMJSA-N 1 3 322.497 2.175 20 0 DEADHO O=C(C[C@@H]1CCC[NH2+]1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000646409963 406859901 /nfs/dbraw/zinc/85/99/01/406859901.db2.gz HSOJZAVSICCHHM-ZWKOTPCHSA-N 1 3 315.461 2.472 20 0 DEADHO CC1(C)CN[C@H]1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000647019649 406942337 /nfs/dbraw/zinc/94/23/37/406942337.db2.gz WUOOIWQDMPTVAL-NSHDSACASA-N 1 3 301.312 2.101 20 0 DEADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@@H]2C[C@H](F)CN2)CC1 ZINC000643538497 407012221 /nfs/dbraw/zinc/01/22/21/407012221.db2.gz LPNIBYFFIQIZCJ-AYBZRNKSSA-N 1 3 319.468 2.372 20 0 DEADHO c1ncn(-c2ccccc2CN2CCC([C@H]3CC[NH2+]C3)CC2)n1 ZINC000647542189 407017052 /nfs/dbraw/zinc/01/70/52/407017052.db2.gz PUFVVFGHZQWRLM-INIZCTEOSA-N 1 3 311.433 2.089 20 0 DEADHO Cc1nc(CN2CCC(C[NH2+][C@@H]3CNC[C@@H](C)C3)CC2)oc1C ZINC000647548546 407018634 /nfs/dbraw/zinc/01/86/34/407018634.db2.gz HGIOWBDRHAUITL-GUYCJALGSA-N 1 3 320.481 2.091 20 0 DEADHO Cc1nc(CN2CCC(CN[C@@H]3C[NH2+]C[C@@H](C)C3)CC2)oc1C ZINC000647548546 407018637 /nfs/dbraw/zinc/01/86/37/407018637.db2.gz HGIOWBDRHAUITL-GUYCJALGSA-N 1 3 320.481 2.091 20 0 DEADHO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000647343699 406989343 /nfs/dbraw/zinc/98/93/43/406989343.db2.gz AJORDTCQLFCNKH-RKOGWWSCSA-N 1 3 313.489 2.404 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000643453292 407002297 /nfs/dbraw/zinc/00/22/97/407002297.db2.gz YVAOXWDIOUUWKP-PBFPGSCMSA-N 1 3 309.404 2.379 20 0 DEADHO COc1ccc2[nH]cc(CC[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)N)c2c1 ZINC000643453993 407002388 /nfs/dbraw/zinc/00/23/88/407002388.db2.gz RVZQORJOQSJRLQ-PZPSRYQVSA-N 1 3 317.433 2.061 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000643453290 407002449 /nfs/dbraw/zinc/00/24/49/407002449.db2.gz YVAOXWDIOUUWKP-IGCXYCKISA-N 1 3 309.404 2.379 20 0 DEADHO C[NH2+]C[C@@H]1CCCN(Cc2ccc(OCCN(C)C)cc2)C1 ZINC000647485572 407006401 /nfs/dbraw/zinc/00/64/01/407006401.db2.gz FHTBSQWXBLTDFF-KRWDZBQOSA-N 1 3 305.466 2.058 20 0 DEADHO CCCCCNC(=O)[C@H](C)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975577 407091456 /nfs/dbraw/zinc/09/14/56/407091456.db2.gz CCWVQQVALGGXRE-ULQDDVLXSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@H](C(=O)N1CCCCCC1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976717 407091938 /nfs/dbraw/zinc/09/19/38/407091938.db2.gz SLUHRTFINRMDNU-KURKYZTESA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)(C)CCNC(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978056 407092762 /nfs/dbraw/zinc/09/27/62/407092762.db2.gz LTCQLDFQFVXMKG-HZPDHXFCSA-N 1 3 309.498 2.250 20 0 DEADHO CN(CCOc1cccc2ccccc21)CCN1CC[NH2+]CC1 ZINC000647835707 407058904 /nfs/dbraw/zinc/05/89/04/407058904.db2.gz JULBYQWFXFHHEF-UHFFFAOYSA-N 1 3 313.445 2.056 20 0 DEADHO CCCCN(CCCC1CC[NH2+]CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000647871186 407064748 /nfs/dbraw/zinc/06/47/48/407064748.db2.gz WDYFAONTMZUBLT-MRXNPFEDSA-N 1 3 316.511 2.055 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C[C@H]2CCC[C@H](O)C2)CC1 ZINC000647961577 407086396 /nfs/dbraw/zinc/08/63/96/407086396.db2.gz RELROOAMLYXVJQ-RDGPPVDQSA-N 1 3 323.525 2.028 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C[C@H]2CCC[C@H](O)C2)CC1 ZINC000647961577 407086399 /nfs/dbraw/zinc/08/63/99/407086399.db2.gz RELROOAMLYXVJQ-RDGPPVDQSA-N 1 3 323.525 2.028 20 0 DEADHO Cc1cc(CN[C@H](C)C2CC[NH+](C)CC2)nc(N2CCCC2)n1 ZINC000644558441 407142463 /nfs/dbraw/zinc/14/24/63/407142463.db2.gz LLGGSQMCTJHNAC-OAHLLOKOSA-N 1 3 317.481 2.205 20 0 DEADHO CCCN(C(=O)NC1CC([NH+]2CCCCC2)C1)[C@@H]1CCN(C)C1 ZINC000645486512 407284811 /nfs/dbraw/zinc/28/48/11/407284811.db2.gz OAJMDJOXKRNXGA-AQFXKWCLSA-N 1 3 322.497 2.129 20 0 DEADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000350951510 287004245 /nfs/dbraw/zinc/00/42/45/287004245.db2.gz PERRIYKVZPGDDD-DOTOQJQBSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)N(C)C ZINC000133934271 196347063 /nfs/dbraw/zinc/34/70/63/196347063.db2.gz LVJVDGLCAZETFG-GVDBMIGSSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)N(C)C ZINC000133934271 196347064 /nfs/dbraw/zinc/34/70/64/196347064.db2.gz LVJVDGLCAZETFG-GVDBMIGSSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@](C)(O)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000134031374 196354749 /nfs/dbraw/zinc/35/47/49/196354749.db2.gz LNSMFFFOZFBMCB-LJQANCHMSA-N 1 3 319.493 2.468 20 0 DEADHO CN(c1ccccc1C[NH2+]CC(C)(C)O)C1CCN(C)CC1 ZINC000134107163 196362090 /nfs/dbraw/zinc/36/20/90/196362090.db2.gz XWZWTNYTUSAKHQ-UHFFFAOYSA-N 1 3 305.466 2.078 20 0 DEADHO NC(=O)c1cccc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000192929833 225145756 /nfs/dbraw/zinc/14/57/56/225145756.db2.gz TYFRLWNKOMLSQL-SFHVURJKSA-N 1 3 323.440 2.397 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000358264497 287350978 /nfs/dbraw/zinc/35/09/78/287350978.db2.gz LQZZZCFCXZEWTA-MRXNPFEDSA-N 1 3 324.513 2.140 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000291087523 222126692 /nfs/dbraw/zinc/12/66/92/222126692.db2.gz CNRYEGPUSPONTQ-LJQANCHMSA-N 1 3 317.477 2.387 20 0 DEADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H](N)c1ccccc1 ZINC000417321056 229008834 /nfs/dbraw/zinc/00/88/34/229008834.db2.gz BBUWXMOCTBSREH-INMHGKMJSA-N 1 3 318.465 2.106 20 0 DEADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H](N)c1ccccc1 ZINC000417321056 229008836 /nfs/dbraw/zinc/00/88/36/229008836.db2.gz BBUWXMOCTBSREH-INMHGKMJSA-N 1 3 318.465 2.106 20 0 DEADHO C[C@H](CC[NH3+])NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000417825886 229115586 /nfs/dbraw/zinc/11/55/86/229115586.db2.gz BTIQKMJGDYTZJL-INMHGKMJSA-N 1 3 318.465 2.076 20 0 DEADHO CN(C)C(=O)c1ccccc1C[N@H+](C)C[C@H]1CCCN(C)C1 ZINC000417724110 229078984 /nfs/dbraw/zinc/07/89/84/229078984.db2.gz YDACUGXKUUUREB-HNNXBMFYSA-N 1 3 303.450 2.162 20 0 DEADHO CN(C)C(=O)c1ccccc1C[N@@H+](C)C[C@H]1CCCN(C)C1 ZINC000417724110 229078985 /nfs/dbraw/zinc/07/89/85/229078985.db2.gz YDACUGXKUUUREB-HNNXBMFYSA-N 1 3 303.450 2.162 20 0 DEADHO C[C@H]([NH3+])CCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000417731786 229081178 /nfs/dbraw/zinc/08/11/78/229081178.db2.gz GIIDYNGJWWYCME-GUTXKFCHSA-N 1 3 324.494 2.168 20 0 DEADHO C[C@H]1C[C@H](NC(=O)N(CCC[NH3+])Cc2ccccc2)CCN1C ZINC000417757246 229088784 /nfs/dbraw/zinc/08/87/84/229088784.db2.gz SXQYVWZYOADBFU-DOTOQJQBSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NCC[NH2+]C2CCCCCC2)CCCN1C ZINC000418003776 229181707 /nfs/dbraw/zinc/18/17/07/229181707.db2.gz NHJLYQZXKLIEIP-GDBMZVCRSA-N 1 3 310.486 2.081 20 0 DEADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418472369 229360301 /nfs/dbraw/zinc/36/03/01/229360301.db2.gz WMVFYHKWMHVUJY-WBVHZDCISA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCCC[NH3+] ZINC000418522986 229376793 /nfs/dbraw/zinc/37/67/93/229376793.db2.gz JULARDBCPSDWRM-MRXNPFEDSA-N 1 3 318.465 2.031 20 0 DEADHO [NH3+]C[C@H]1CN(CCSc2ccccc2)CC12CCOCC2 ZINC000420333342 229660398 /nfs/dbraw/zinc/66/03/98/229660398.db2.gz SRAHDOJTYYIUNK-HNNXBMFYSA-N 1 3 306.475 2.466 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](CO)Cc1ccccc1 ZINC000422764444 230196905 /nfs/dbraw/zinc/19/69/05/230196905.db2.gz PPJKOXHBDQTIQK-RHSMWYFYSA-N 1 3 313.445 2.351 20 0 DEADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1ccc(F)cc1 ZINC000422783416 230206609 /nfs/dbraw/zinc/20/66/09/230206609.db2.gz HITMQRNJIUYXJK-NKGKWGDASA-N 1 3 322.424 2.340 20 0 DEADHO OC[C@@H](CN[C@@H]1CCC[NH2+]CC1)Cc1c(F)cccc1Cl ZINC000422795601 230214648 /nfs/dbraw/zinc/21/46/48/230214648.db2.gz HVILMSABJUCGQJ-CHWSQXEVSA-N 1 3 314.832 2.362 20 0 DEADHO C[C@H](C[C@H]1COCCN1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000422816554 230225390 /nfs/dbraw/zinc/22/53/90/230225390.db2.gz ARWRHWVIHFEVJP-WBVHZDCISA-N 1 3 309.498 2.140 20 0 DEADHO C[C@@H](NC1CCN(C(=O)c2ccoc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422823246 230228292 /nfs/dbraw/zinc/22/82/92/230228292.db2.gz CWWUYHJUCDCHKS-CZUORRHYSA-N 1 3 305.422 2.004 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000422837068 230233904 /nfs/dbraw/zinc/23/39/04/230233904.db2.gz LGASLQDREFRAON-KNXALSJPSA-N 1 3 305.397 2.191 20 0 DEADHO N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000422849154 230242580 /nfs/dbraw/zinc/24/25/80/230242580.db2.gz URZBBKUMXKTWON-IRXDYDNUSA-N 1 3 310.401 2.303 20 0 DEADHO COc1ccc([C@@H](NCCN(C)C(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422879503 230256438 /nfs/dbraw/zinc/25/64/38/230256438.db2.gz MEGGACSTCHXAJV-ZWKOTPCHSA-N 1 3 305.466 2.418 20 0 DEADHO C[C@H]1CCNCC[C@H]1[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000422894733 230264980 /nfs/dbraw/zinc/26/49/80/230264980.db2.gz DBOGJCUIKUTZPT-MAUKXSAKSA-N 1 3 302.466 2.024 20 0 DEADHO Cc1cc(C)n(-c2ccc(CN[C@@H]3CCCC[C@H]3C[NH3+])cn2)n1 ZINC000422897409 230266504 /nfs/dbraw/zinc/26/65/04/230266504.db2.gz JOSHGKZFOLIVIZ-DLBZAZTESA-N 1 3 313.449 2.491 20 0 DEADHO C[C@H](C[C@H]1COCCN1)[NH2+]C[C@H]1CCCN1CC1CCCCC1 ZINC000422910453 230272097 /nfs/dbraw/zinc/27/20/97/230272097.db2.gz QLZMEYQXDHFVNC-NZSAHSFTSA-N 1 3 323.525 2.388 20 0 DEADHO C[C@H](C[C@H]1COCCN1)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000422910453 230272101 /nfs/dbraw/zinc/27/21/01/230272101.db2.gz QLZMEYQXDHFVNC-NZSAHSFTSA-N 1 3 323.525 2.388 20 0 DEADHO C[C@H](C[C@H]1COCCN1)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000422910453 230272106 /nfs/dbraw/zinc/27/21/06/230272106.db2.gz QLZMEYQXDHFVNC-NZSAHSFTSA-N 1 3 323.525 2.388 20 0 DEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCCOC1CCOCC1 ZINC000422915680 230275603 /nfs/dbraw/zinc/27/56/03/230275603.db2.gz BKABNQVRLXCTOR-YJBOKZPZSA-N 1 3 306.450 2.120 20 0 DEADHO CO[C@H](CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])c1cccc(Cl)c1 ZINC000422919371 230278816 /nfs/dbraw/zinc/27/88/16/230278816.db2.gz JSHMPZNJKPRSBF-MSQAHXEGSA-N 1 3 312.841 2.369 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000422960049 230296213 /nfs/dbraw/zinc/29/62/13/230296213.db2.gz ALWGEKIZYISENB-GDBMZVCRSA-N 1 3 311.433 2.173 20 0 DEADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCOc1cccc(C(F)(F)F)n1 ZINC000423009826 230314844 /nfs/dbraw/zinc/31/48/44/230314844.db2.gz FACKNISYOAXICN-RYUDHWBXSA-N 1 3 317.355 2.457 20 0 DEADHO Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@@H](C)CCCC[NH3+])cc1 ZINC000423047867 230329289 /nfs/dbraw/zinc/32/92/89/230329289.db2.gz HJFNSSPLLUIPFJ-LSDHHAIUSA-N 1 3 312.479 2.264 20 0 DEADHO Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1 ZINC000423057913 230333221 /nfs/dbraw/zinc/33/32/21/230333221.db2.gz ILOXXSDJKQNDQY-YJBOKZPZSA-N 1 3 313.445 2.411 20 0 DEADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CCCN(c2ccnn2C)C1 ZINC000423085686 230344251 /nfs/dbraw/zinc/34/42/51/230344251.db2.gz KGVNNWIYTLZAMC-ZACQAIPSSA-N 1 3 319.497 2.289 20 0 DEADHO C[C@@H](F)CC[NH2+]C1(CNC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001423287882 1173206713 /nfs/dbraw/zinc/20/67/13/1173206713.db2.gz PXOOASQQUZOAGV-HUUCEWRRSA-N 1 3 313.461 2.237 20 0 DEADHO CC(C)[C@@H](CNC(=O)NC[C@H]1CCCN1C)[NH+]1CCC(C)CC1 ZINC000195127669 424880001 /nfs/dbraw/zinc/88/00/01/424880001.db2.gz NRJCZQXYRKQZQP-IAGOWNOFSA-N 1 3 324.513 2.136 20 0 DEADHO Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](C)CN2CCCC2)c(C)c1 ZINC000390172730 424916294 /nfs/dbraw/zinc/91/62/94/424916294.db2.gz GCMCEQWSQQFYFW-AEFFLSMTSA-N 1 3 320.477 2.365 20 0 DEADHO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@H]1CCCCN1C1CCCC1 ZINC000648922190 424928867 /nfs/dbraw/zinc/92/88/67/424928867.db2.gz XDDYRYGNFUSCHD-SJLPKXTDSA-N 1 3 319.493 2.384 20 0 DEADHO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CCCCN1C1CCCC1 ZINC000648922190 424928869 /nfs/dbraw/zinc/92/88/69/424928869.db2.gz XDDYRYGNFUSCHD-SJLPKXTDSA-N 1 3 319.493 2.384 20 0 DEADHO Cc1cc(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)ccc1OCCN(C)C ZINC000648928570 424930629 /nfs/dbraw/zinc/93/06/29/424930629.db2.gz QRJDOELOFSLTDJ-GDBMZVCRSA-N 1 3 319.449 2.214 20 0 DEADHO Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)ccc1OCCN(C)C ZINC000648928570 424930632 /nfs/dbraw/zinc/93/06/32/424930632.db2.gz QRJDOELOFSLTDJ-GDBMZVCRSA-N 1 3 319.449 2.214 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[NH2+]C23CCCC3)c1 ZINC000649373132 425003306 /nfs/dbraw/zinc/00/33/06/425003306.db2.gz RUJLYGGQYCKUKJ-INIZCTEOSA-N 1 3 301.434 2.153 20 0 DEADHO CC1(C)CNCCN1C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000649273755 424982000 /nfs/dbraw/zinc/98/20/00/424982000.db2.gz CDRNBUQLKQJXPZ-UHFFFAOYSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@H](C[C@H](C)N)[NH2+]CCCNc1ccc(C(F)(F)F)cn1 ZINC000422832268 424987584 /nfs/dbraw/zinc/98/75/84/424987584.db2.gz LAGMHZWMRCPQPP-WDEREUQCSA-N 1 3 304.360 2.618 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NCCCNc1ccc(C(F)(F)F)cn1 ZINC000422832268 424987588 /nfs/dbraw/zinc/98/75/88/424987588.db2.gz LAGMHZWMRCPQPP-WDEREUQCSA-N 1 3 304.360 2.618 20 0 DEADHO C[C@@H](CNC(=O)N(C)CCN1CCCCC1)[N@@H+]1CCCC[C@@H]1C ZINC000650642369 425029150 /nfs/dbraw/zinc/02/91/50/425029150.db2.gz ALFOZIXKJDDWBH-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H](CNC(=O)N(C)CCN1CCCCC1)[N@H+]1CCCC[C@@H]1C ZINC000650642369 425029152 /nfs/dbraw/zinc/02/91/52/425029152.db2.gz ALFOZIXKJDDWBH-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO CCn1nc(C)c(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1C ZINC000650706605 425039478 /nfs/dbraw/zinc/03/94/78/425039478.db2.gz OJEURVSDXGBMEQ-XYJFISCASA-N 1 3 320.481 2.238 20 0 DEADHO CC(C)(C)n1cc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cn1 ZINC000650706434 425039593 /nfs/dbraw/zinc/03/95/93/425039593.db2.gz KOFIQLLMWQVXCI-BBWFWOEESA-N 1 3 320.481 2.356 20 0 DEADHO CCOc1cccc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)n1 ZINC000650724089 425042012 /nfs/dbraw/zinc/04/20/12/425042012.db2.gz YEVHXHJSVQYTQK-DJIMGWMZSA-N 1 3 319.449 2.341 20 0 DEADHO COc1ccc(C)cc1CN1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000649411272 425013360 /nfs/dbraw/zinc/01/33/60/425013360.db2.gz AFRDCQRDPBTKSI-KRWDZBQOSA-N 1 3 317.477 2.121 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000651192822 425113210 /nfs/dbraw/zinc/11/32/10/425113210.db2.gz CAXNGJMHNAWIOT-JKSUJKDBSA-N 1 3 312.502 2.088 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000651192822 425113211 /nfs/dbraw/zinc/11/32/11/425113211.db2.gz CAXNGJMHNAWIOT-JKSUJKDBSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000660591633 425170462 /nfs/dbraw/zinc/17/04/62/425170462.db2.gz JHFCTARKLITCCG-MRXNPFEDSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000660591633 425170465 /nfs/dbraw/zinc/17/04/65/425170465.db2.gz JHFCTARKLITCCG-MRXNPFEDSA-N 1 3 324.513 2.280 20 0 DEADHO C(c1nc2c(s1)CNCC2)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000663494105 425173385 /nfs/dbraw/zinc/17/33/85/425173385.db2.gz MHHFLILUNHAHRL-KBPBESRZSA-N 1 3 320.506 2.000 20 0 DEADHO CCN(C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)[C@H]1CCN(CC)C1 ZINC000663627135 425199394 /nfs/dbraw/zinc/19/93/94/425199394.db2.gz CCDPEQDZNQPIRH-ULQDDVLXSA-N 1 3 324.513 2.375 20 0 DEADHO CCN(C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C)[C@H]1CCN(CC)C1 ZINC000663627135 425199400 /nfs/dbraw/zinc/19/94/00/425199400.db2.gz CCDPEQDZNQPIRH-ULQDDVLXSA-N 1 3 324.513 2.375 20 0 DEADHO OC[C@H]1CCCCCN1C/C=C\C[N@@H+]1CCCCC[C@H]1CO ZINC000653783426 425228016 /nfs/dbraw/zinc/22/80/16/425228016.db2.gz KOIFMRHFUVSFIH-UNWHRZBZSA-N 1 3 310.482 2.016 20 0 DEADHO OC[C@H]1CCCCCN1C/C=C\C[N@H+]1CCCCC[C@H]1CO ZINC000653783426 425228019 /nfs/dbraw/zinc/22/80/19/425228019.db2.gz KOIFMRHFUVSFIH-UNWHRZBZSA-N 1 3 310.482 2.016 20 0 DEADHO OC[C@H]1CCCCC[N@H+]1C/C=C\CN1CCCCC[C@H]1CO ZINC000653783426 425228022 /nfs/dbraw/zinc/22/80/22/425228022.db2.gz KOIFMRHFUVSFIH-UNWHRZBZSA-N 1 3 310.482 2.016 20 0 DEADHO OC[C@H]1CCCCC[N@@H+]1C/C=C\CN1CCCCC[C@H]1CO ZINC000653783426 425228025 /nfs/dbraw/zinc/22/80/25/425228025.db2.gz KOIFMRHFUVSFIH-UNWHRZBZSA-N 1 3 310.482 2.016 20 0 DEADHO OC[C@H](CCF)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000652303433 425236619 /nfs/dbraw/zinc/23/66/19/425236619.db2.gz XAVWWUHPTYSKJX-XLAORIBOSA-N 1 3 306.425 2.492 20 0 DEADHO OC[C@H](CCF)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000652303433 425236622 /nfs/dbraw/zinc/23/66/22/425236622.db2.gz XAVWWUHPTYSKJX-XLAORIBOSA-N 1 3 306.425 2.492 20 0 DEADHO CNC[C@@](C)(O)C[NH+]1CCC2(CCc3ccccc3C2)CC1 ZINC000652344606 425243590 /nfs/dbraw/zinc/24/35/90/425243590.db2.gz QSAMKPHIAWVFHY-GOSISDBHSA-N 1 3 302.462 2.228 20 0 DEADHO C[NH2+]C[C@@](C)(O)CN1CCC2(CCc3ccccc3C2)CC1 ZINC000652344606 425243593 /nfs/dbraw/zinc/24/35/93/425243593.db2.gz QSAMKPHIAWVFHY-GOSISDBHSA-N 1 3 302.462 2.228 20 0 DEADHO C[C@H]1CN(CCN2CC[NH2+]CC2)CCc2ccc(Cl)cc21 ZINC000652353650 425243863 /nfs/dbraw/zinc/24/38/63/425243863.db2.gz YERWBSXSGHXAEI-AWEZNQCLSA-N 1 3 307.869 2.207 20 0 DEADHO C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N(C)C1CC1 ZINC000660854817 425258002 /nfs/dbraw/zinc/25/80/02/425258002.db2.gz DUCBLAGETVXJCH-LSDHHAIUSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)N(C)C1CC1 ZINC000660854817 425258005 /nfs/dbraw/zinc/25/80/05/425258005.db2.gz DUCBLAGETVXJCH-LSDHHAIUSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@H](NC(=O)NC[C@H]1CCN1C(C)(C)C)C(C)(C)C[NH+](C)C ZINC000660871497 425263573 /nfs/dbraw/zinc/26/35/73/425263573.db2.gz QEZKSTZXHDRETJ-UONOGXRCSA-N 1 3 312.502 2.135 20 0 DEADHO CC[N@H+](CCCNC(=O)N1CCN[C@H](C)[C@@H]1C)C1CCCCC1 ZINC000652227802 425218690 /nfs/dbraw/zinc/21/86/90/425218690.db2.gz OJRJMVNYIJGHHS-CVEARBPZSA-N 1 3 324.513 2.423 20 0 DEADHO CC[N@@H+](CCCNC(=O)N1CCN[C@H](C)[C@@H]1C)C1CCCCC1 ZINC000652227802 425218694 /nfs/dbraw/zinc/21/86/94/425218694.db2.gz OJRJMVNYIJGHHS-CVEARBPZSA-N 1 3 324.513 2.423 20 0 DEADHO C[NH+](C)CC1(CNCc2ccnn2-c2ccncc2)CCCC1 ZINC000657433878 425330880 /nfs/dbraw/zinc/33/08/80/425330880.db2.gz CVMJKQFPGVZJIF-UHFFFAOYSA-N 1 3 313.449 2.479 20 0 DEADHO CCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1CCN(CC)C1 ZINC000664234779 425339461 /nfs/dbraw/zinc/33/94/61/425339461.db2.gz SWVNFNLXQKDIKK-HMQMGEFJSA-N 1 3 322.497 2.127 20 0 DEADHO CCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1CCN(CC)C1 ZINC000664234779 425339464 /nfs/dbraw/zinc/33/94/64/425339464.db2.gz SWVNFNLXQKDIKK-HMQMGEFJSA-N 1 3 322.497 2.127 20 0 DEADHO CCc1cc(NCc2ccc(CN3CC[C@@H](O)C3)cc2)cc[nH+]1 ZINC000664238163 425340130 /nfs/dbraw/zinc/34/01/30/425340130.db2.gz XOAPPIHKHSEJRL-LJQANCHMSA-N 1 3 311.429 2.245 20 0 DEADHO C[C@H](CCNC(=O)NC[C@H](C)N(C)Cc1ccccc1)[NH+](C)C ZINC000664069204 425300790 /nfs/dbraw/zinc/30/07/90/425300790.db2.gz ARKZTKSSKQVMIC-CVEARBPZSA-N 1 3 320.481 2.146 20 0 DEADHO CCCn1nccc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657537443 425358381 /nfs/dbraw/zinc/35/83/81/425358381.db2.gz LHACXPQIXHGHQH-UHFFFAOYSA-N 1 3 320.481 2.274 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000661351736 425387386 /nfs/dbraw/zinc/38/73/86/425387386.db2.gz PRCWCFIXHRSAHH-OAHLLOKOSA-N 1 3 312.502 2.136 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000661351736 425387389 /nfs/dbraw/zinc/38/73/89/425387389.db2.gz PRCWCFIXHRSAHH-OAHLLOKOSA-N 1 3 312.502 2.136 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000661351734 425388035 /nfs/dbraw/zinc/38/80/35/425388035.db2.gz PRCWCFIXHRSAHH-HNNXBMFYSA-N 1 3 312.502 2.136 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000661351734 425388038 /nfs/dbraw/zinc/38/80/38/425388038.db2.gz PRCWCFIXHRSAHH-HNNXBMFYSA-N 1 3 312.502 2.136 20 0 DEADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000653109762 425406088 /nfs/dbraw/zinc/40/60/88/425406088.db2.gz LVPOAQADUSRFTM-ROUUACIJSA-N 1 3 315.461 2.329 20 0 DEADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000653109761 425406425 /nfs/dbraw/zinc/40/64/25/425406425.db2.gz LVPOAQADUSRFTM-QZTJIDSGSA-N 1 3 315.461 2.329 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000661278281 425369141 /nfs/dbraw/zinc/36/91/41/425369141.db2.gz PQWMOTRUAASCOO-XYTVBORESA-N 1 3 322.497 2.031 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000661278281 425369143 /nfs/dbraw/zinc/36/91/43/425369143.db2.gz PQWMOTRUAASCOO-XYTVBORESA-N 1 3 322.497 2.031 20 0 DEADHO C[N@H+](CCCCNC(=O)NC[C@@H]1CCN1C(C)(C)C)C1CC1 ZINC000661298452 425373584 /nfs/dbraw/zinc/37/35/84/425373584.db2.gz PGWHKNBDRYGCDX-HNNXBMFYSA-N 1 3 310.486 2.033 20 0 DEADHO C[N@@H+](CCCCNC(=O)NC[C@@H]1CCN1C(C)(C)C)C1CC1 ZINC000661298452 425373588 /nfs/dbraw/zinc/37/35/88/425373588.db2.gz PGWHKNBDRYGCDX-HNNXBMFYSA-N 1 3 310.486 2.033 20 0 DEADHO CN(CC1([NH+](C)C)CCC1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654733490 425428485 /nfs/dbraw/zinc/42/84/85/425428485.db2.gz XDCLPLFRHYMEFV-HOTGVXAUSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)(C[NH+]1CCCC1)NC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654737644 425430840 /nfs/dbraw/zinc/43/08/40/425430840.db2.gz LPBRKGHCCPBQLM-JKSUJKDBSA-N 1 3 322.497 2.177 20 0 DEADHO CC[C@H](NCC1CC[NH+](C2CCOCC2)CC1)c1nccn1C ZINC000658066561 425433351 /nfs/dbraw/zinc/43/33/51/425433351.db2.gz BWJFEPYZANNSEL-KRWDZBQOSA-N 1 3 320.481 2.352 20 0 DEADHO COc1ccc([C@@H](C)N[C@@H](C)CN(C)CCC[NH+](C)C)cc1O ZINC000658107648 425439347 /nfs/dbraw/zinc/43/93/47/425439347.db2.gz MRHPPRRBCHPMHG-LSDHHAIUSA-N 1 3 323.481 2.323 20 0 DEADHO CC1(C)C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CO1 ZINC000658162511 425450409 /nfs/dbraw/zinc/45/04/09/425450409.db2.gz DTOINCHJERFIGO-KRWDZBQOSA-N 1 3 303.450 2.451 20 0 DEADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cnn(C)c1 ZINC000658168095 425450758 /nfs/dbraw/zinc/45/07/58/425450758.db2.gz VRUVSHUJBASPGC-HNNXBMFYSA-N 1 3 313.449 2.378 20 0 DEADHO CCN(C(=O)NC1CC([NH+]2CCCCC2)C1)[C@@H]1CCN(CC)C1 ZINC000664792415 425455538 /nfs/dbraw/zinc/45/55/38/425455538.db2.gz RJUAMGAZBFMOIL-AQFXKWCLSA-N 1 3 322.497 2.129 20 0 DEADHO O[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000658348770 425475451 /nfs/dbraw/zinc/47/54/51/425475451.db2.gz REVRQDGKHUSHEE-IEWDOMPSSA-N 1 3 300.446 2.400 20 0 DEADHO O[C@H]1C[C@H](N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000658348770 425475453 /nfs/dbraw/zinc/47/54/53/425475453.db2.gz REVRQDGKHUSHEE-IEWDOMPSSA-N 1 3 300.446 2.400 20 0 DEADHO O[C@H]1C[C@H](N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000658348770 425475456 /nfs/dbraw/zinc/47/54/56/425475456.db2.gz REVRQDGKHUSHEE-IEWDOMPSSA-N 1 3 300.446 2.400 20 0 DEADHO CCCN1CC[C@@H](NC(=O)Nc2ccccc2C[NH2+]CC)C1 ZINC000659019195 425520951 /nfs/dbraw/zinc/52/09/51/425520951.db2.gz OFEPUDMSDYRQIX-OAHLLOKOSA-N 1 3 304.438 2.402 20 0 DEADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000655245384 425521623 /nfs/dbraw/zinc/52/16/23/425521623.db2.gz MBGWYZFRKXLBHD-HYVNUMGLSA-N 1 3 307.482 2.240 20 0 DEADHO c1ccc2c(CCN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)noc2c1 ZINC000665232498 425524183 /nfs/dbraw/zinc/52/41/83/425524183.db2.gz OCZNEILDWFKYCO-BZUAXINKSA-N 1 3 315.417 2.117 20 0 DEADHO C[C@H]1COCC[C@H]1N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665253181 425529229 /nfs/dbraw/zinc/52/92/29/425529229.db2.gz JHRXXRUJYHCQGN-OUENDJJVSA-N 1 3 310.388 2.425 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N1CCN(C2CCCC2)CC1 ZINC000665366652 425555249 /nfs/dbraw/zinc/55/52/49/425555249.db2.gz DZCNMQHPDSWPCM-MRXNPFEDSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N1CCN(C2CCCC2)CC1 ZINC000665366652 425555251 /nfs/dbraw/zinc/55/52/51/425555251.db2.gz DZCNMQHPDSWPCM-MRXNPFEDSA-N 1 3 322.497 2.129 20 0 DEADHO COc1ccnc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1OC ZINC000662273030 425610492 /nfs/dbraw/zinc/61/04/92/425610492.db2.gz JSIQVRQXUPZWQL-HUUCEWRRSA-N 1 3 319.449 2.310 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655445433 425569169 /nfs/dbraw/zinc/56/91/69/425569169.db2.gz XBUAKIDMLJUDPA-KSSFIOAISA-N 1 3 317.433 2.085 20 0 DEADHO CC[C@@H]1CCCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665637080 425611069 /nfs/dbraw/zinc/61/10/69/425611069.db2.gz SMROKEBKGHCUJR-JKSUJKDBSA-N 1 3 312.502 2.233 20 0 DEADHO CC[C@@H]1CCCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665637080 425611071 /nfs/dbraw/zinc/61/10/71/425611071.db2.gz SMROKEBKGHCUJR-JKSUJKDBSA-N 1 3 312.502 2.233 20 0 DEADHO CC1(C)CCC[NH2+][C@@H]1C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659363926 425585932 /nfs/dbraw/zinc/58/59/32/425585932.db2.gz CZJFYRXYCHWTBQ-HZPDHXFCSA-N 1 3 317.433 2.064 20 0 DEADHO COc1ccc(CN(C[C@H]2CCC3(C[NH2+]C3)O2)C2CC2)cc1 ZINC000662249284 425601493 /nfs/dbraw/zinc/60/14/93/425601493.db2.gz SBDQBCZIYXRDQN-QGZVFWFLSA-N 1 3 302.418 2.181 20 0 DEADHO COCC[N@H+](CCCc1ccccc1)C[C@H]1CCC2(CNC2)O1 ZINC000662253805 425602331 /nfs/dbraw/zinc/60/23/31/425602331.db2.gz LDBQXSGNEQCMCU-GOSISDBHSA-N 1 3 318.461 2.089 20 0 DEADHO COCC[N@@H+](CCCc1ccccc1)C[C@H]1CCC2(CNC2)O1 ZINC000662253805 425602332 /nfs/dbraw/zinc/60/23/32/425602332.db2.gz LDBQXSGNEQCMCU-GOSISDBHSA-N 1 3 318.461 2.089 20 0 DEADHO Fc1ccc(C[C@H]2CCC[N@@H+]2C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662251715 425602382 /nfs/dbraw/zinc/60/23/82/425602382.db2.gz DURRUOKPKXIPGB-IAGOWNOFSA-N 1 3 304.409 2.354 20 0 DEADHO Fc1ccc(C[C@H]2CCC[N@H+]2C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662251715 425602384 /nfs/dbraw/zinc/60/23/84/425602384.db2.gz DURRUOKPKXIPGB-IAGOWNOFSA-N 1 3 304.409 2.354 20 0 DEADHO COc1cccc(C2CC[NH+](C[C@@H]3CCC4(CNC4)O3)CC2)c1 ZINC000662255137 425602473 /nfs/dbraw/zinc/60/24/73/425602473.db2.gz AIVVJEKHPKCGQQ-SFHVURJKSA-N 1 3 316.445 2.396 20 0 DEADHO COc1ccc(CCC[N@H+](C)C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662252451 425602535 /nfs/dbraw/zinc/60/25/35/425602535.db2.gz MDPAPTNYDPYPEO-QGZVFWFLSA-N 1 3 304.434 2.081 20 0 DEADHO COc1ccc(CCC[N@@H+](C)C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662252451 425602538 /nfs/dbraw/zinc/60/25/38/425602538.db2.gz MDPAPTNYDPYPEO-QGZVFWFLSA-N 1 3 304.434 2.081 20 0 DEADHO C([C@@H]1CCC2(CNC2)O1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000662261322 425606667 /nfs/dbraw/zinc/60/66/67/425606667.db2.gz HRKQONRHIRVFGJ-ROUUACIJSA-N 1 3 321.509 2.095 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@]1(C)CC=CCC1 ZINC000665764271 425642935 /nfs/dbraw/zinc/64/29/35/425642935.db2.gz ZVGLJSQTANJGFO-DOTOQJQBSA-N 1 3 310.486 2.056 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@]1(C)CC=CCC1 ZINC000665764271 425642939 /nfs/dbraw/zinc/64/29/39/425642939.db2.gz ZVGLJSQTANJGFO-DOTOQJQBSA-N 1 3 310.486 2.056 20 0 DEADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc2c(s1)CCNC2 ZINC000662405653 425642954 /nfs/dbraw/zinc/64/29/54/425642954.db2.gz ZZVAOQFUOQBGFL-CHWSQXEVSA-N 1 3 321.490 2.244 20 0 DEADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc2c(s1)CCNC2 ZINC000662405653 425642959 /nfs/dbraw/zinc/64/29/59/425642959.db2.gz ZZVAOQFUOQBGFL-CHWSQXEVSA-N 1 3 321.490 2.244 20 0 DEADHO CO[C@](C)(CO)CN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000655786359 425653977 /nfs/dbraw/zinc/65/39/77/425653977.db2.gz PIVGWIBZOPVPMV-SZMVWBNQSA-N 1 3 306.450 2.027 20 0 DEADHO CO[C@](C)(CO)CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000655786359 425653983 /nfs/dbraw/zinc/65/39/83/425653983.db2.gz PIVGWIBZOPVPMV-SZMVWBNQSA-N 1 3 306.450 2.027 20 0 DEADHO O=C(c1cccc2c1CNC2)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000662468885 425658344 /nfs/dbraw/zinc/65/83/44/425658344.db2.gz VEHZSGRUXFGSJE-UHFFFAOYSA-N 1 3 313.445 2.380 20 0 DEADHO O=C(c1cccc2c1CNC2)N1CCC[N@H+](C2CCCC2)CC1 ZINC000662468885 425658345 /nfs/dbraw/zinc/65/83/45/425658345.db2.gz VEHZSGRUXFGSJE-UHFFFAOYSA-N 1 3 313.445 2.380 20 0 DEADHO CC[C@H](NC)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000662483084 425663052 /nfs/dbraw/zinc/66/30/52/425663052.db2.gz AETYQXNELNZCAP-PBHICJAKSA-N 1 3 319.449 2.344 20 0 DEADHO CC[C@H](NC)C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000662483084 425663057 /nfs/dbraw/zinc/66/30/57/425663057.db2.gz AETYQXNELNZCAP-PBHICJAKSA-N 1 3 319.449 2.344 20 0 DEADHO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc3c(s2)CCNC3)C1 ZINC000662482361 425663261 /nfs/dbraw/zinc/66/32/61/425663261.db2.gz XGOLHVOEYRESRV-CYBMUJFWSA-N 1 3 321.490 2.198 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000662490694 425663797 /nfs/dbraw/zinc/66/37/97/425663797.db2.gz JYZYOPJOZZDKHL-CGTJXYLNSA-N 1 3 315.461 2.013 20 0 DEADHO Cn1nnc2c1CC[C@H](NC1CC[NH+](C3CCCCC3)CC1)C2 ZINC000655829674 425667667 /nfs/dbraw/zinc/66/76/67/425667667.db2.gz PSMZAGAFHJEVNP-HNNXBMFYSA-N 1 3 317.481 2.059 20 0 DEADHO Cn1nnc2c1CC[C@H]([NH2+]C1CCN(C3CCCCC3)CC1)C2 ZINC000655829674 425667670 /nfs/dbraw/zinc/66/76/70/425667670.db2.gz PSMZAGAFHJEVNP-HNNXBMFYSA-N 1 3 317.481 2.059 20 0 DEADHO C[C@H](C(=O)NC1CCCC1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295746 425615527 /nfs/dbraw/zinc/61/55/27/425615527.db2.gz SCGPPIKAEMWTHQ-ZBFHGGJFSA-N 1 3 307.482 2.145 20 0 DEADHO O=C(CN1CCC[C@H](C2CC[NH2+]CC2)C1)N1CCCCCC1 ZINC000662295727 425616211 /nfs/dbraw/zinc/61/62/11/425616211.db2.gz RPUZYGCWIFEBSP-KRWDZBQOSA-N 1 3 307.482 2.101 20 0 DEADHO CCC(CC)[C@H](C[NH2+]C1CCN([C@H]2CCOC2)CC1)N(C)C ZINC000655687704 425628685 /nfs/dbraw/zinc/62/86/85/425628685.db2.gz WSCFNSVIRRRXBC-ROUUACIJSA-N 1 3 311.514 2.196 20 0 DEADHO CC(C)[C@@H](C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)N1CCCC1 ZINC000655687447 425628755 /nfs/dbraw/zinc/62/87/55/425628755.db2.gz PIVKKEIYKHKGSG-RBUKOAKNSA-N 1 3 323.525 2.340 20 0 DEADHO CC1CCC(N2CCN(C(=O)NCC3([NH3+])CCCC3)CC2)CC1 ZINC000659572628 425630620 /nfs/dbraw/zinc/63/06/20/425630620.db2.gz YPXUQSKGEQQCBI-UHFFFAOYSA-N 1 3 322.497 2.164 20 0 DEADHO C[NH2+]CCC1CCN(C(=O)N[C@H](C)CN2CCC(C)CC2)CC1 ZINC000659606812 425634662 /nfs/dbraw/zinc/63/46/62/425634662.db2.gz VSQFAAADUIOQLB-MRXNPFEDSA-N 1 3 324.513 2.138 20 0 DEADHO CN[C@@H](C)C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000662386361 425639188 /nfs/dbraw/zinc/63/91/88/425639188.db2.gz FAMSRUDLRIKYHZ-OAGGEKHMSA-N 1 3 317.477 2.389 20 0 DEADHO C[C@H](C1CC1)N(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1CC1 ZINC000665758706 425640438 /nfs/dbraw/zinc/64/04/38/425640438.db2.gz MPMDQDFDMUZYKS-LSDHHAIUSA-N 1 3 324.513 2.231 20 0 DEADHO C[C@H](C1CC1)N(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1CC1 ZINC000665758706 425640440 /nfs/dbraw/zinc/64/04/40/425640440.db2.gz MPMDQDFDMUZYKS-LSDHHAIUSA-N 1 3 324.513 2.231 20 0 DEADHO C[C@H](CNC(=O)c1cc2c(s1)CCNC2)C[NH+]1CCCCC1 ZINC000662395194 425640658 /nfs/dbraw/zinc/64/06/58/425640658.db2.gz RCSJHSXKGXLVQN-CYBMUJFWSA-N 1 3 321.490 2.246 20 0 DEADHO C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000662833782 425743317 /nfs/dbraw/zinc/74/33/17/425743317.db2.gz ADGVKBXYGDLTHL-JQFCIGGWSA-N 1 3 301.434 2.453 20 0 DEADHO [NH3+]Cc1cccc(NC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1 ZINC000655906795 425682023 /nfs/dbraw/zinc/68/20/23/425682023.db2.gz AYTPUFZIKUMPOX-CVEARBPZSA-N 1 3 302.422 2.284 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)c2cccc3c2CCNC3)CC1 ZINC000662672932 425708786 /nfs/dbraw/zinc/70/87/86/425708786.db2.gz HTZKPHFYWRPQMP-UHFFFAOYSA-N 1 3 315.461 2.183 20 0 DEADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cccc2c1CNC2 ZINC000662693239 425713402 /nfs/dbraw/zinc/71/34/02/425713402.db2.gz HTZCGCOKYNBHEH-AWEZNQCLSA-N 1 3 301.434 2.140 20 0 DEADHO CN(C)CCOc1ccc(NC(=O)CC2([NH3+])CC2)cc1Cl ZINC000662692245 425714567 /nfs/dbraw/zinc/71/45/67/425714567.db2.gz CMTLYRKAWRLJJD-UHFFFAOYSA-N 1 3 311.813 2.100 20 0 DEADHO CN1CCC[C@@H](CNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)C1 ZINC000662699902 425716239 /nfs/dbraw/zinc/71/62/39/425716239.db2.gz DDMBPBACHKHUKB-WMLDXEAASA-N 1 3 315.461 2.137 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1(N)CC2(CCC2)C1 ZINC000662701072 425717607 /nfs/dbraw/zinc/71/76/07/425717607.db2.gz MQJWUABEOAOLJQ-OAHLLOKOSA-N 1 3 307.482 2.419 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C1(N)CC2(CCC2)C1 ZINC000662701072 425717611 /nfs/dbraw/zinc/71/76/11/425717611.db2.gz MQJWUABEOAOLJQ-OAHLLOKOSA-N 1 3 307.482 2.419 20 0 DEADHO CC[C@H](N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662716043 425720165 /nfs/dbraw/zinc/72/01/65/425720165.db2.gz QIJWFXZOSIDFOW-SJORKVTESA-N 1 3 315.461 2.142 20 0 DEADHO CC[C@H](N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000662716043 425720170 /nfs/dbraw/zinc/72/01/70/425720170.db2.gz QIJWFXZOSIDFOW-SJORKVTESA-N 1 3 315.461 2.142 20 0 DEADHO COc1cc(OC)cc(OCCC[NH2+][C@H]2CCC[C@H](N)C2)c1 ZINC000656197897 425729736 /nfs/dbraw/zinc/72/97/36/425729736.db2.gz OYMLFFDAVCDOPN-KBPBESRZSA-N 1 3 308.422 2.332 20 0 DEADHO COc1cc(OC)cc(OCCCN[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000656197897 425729740 /nfs/dbraw/zinc/72/97/40/425729740.db2.gz OYMLFFDAVCDOPN-KBPBESRZSA-N 1 3 308.422 2.332 20 0 DEADHO CCO[C@@H]1C[C@@H](NC[C@H](O)C[N@H+](C)C(C)C)C1(CC)CC ZINC000660313005 425790861 /nfs/dbraw/zinc/79/08/61/425790861.db2.gz OWMWODDVIIZUIU-ARFHVFGLSA-N 1 3 300.487 2.261 20 0 DEADHO CCO[C@@H]1C[C@@H](NC[C@H](O)C[N@@H+](C)C(C)C)C1(CC)CC ZINC000660313005 425790866 /nfs/dbraw/zinc/79/08/66/425790866.db2.gz OWMWODDVIIZUIU-ARFHVFGLSA-N 1 3 300.487 2.261 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000660396826 425807589 /nfs/dbraw/zinc/80/75/89/425807589.db2.gz OCPFZASYGQORNA-ZACQAIPSSA-N 1 3 324.513 2.138 20 0 DEADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000662838223 425746049 /nfs/dbraw/zinc/74/60/49/425746049.db2.gz MIISUWZJOHOZPP-SLUKUZTOSA-N 1 3 305.466 2.040 20 0 DEADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@H]1CCCN2CCCC[C@H]12 ZINC000662838207 425746104 /nfs/dbraw/zinc/74/61/04/425746104.db2.gz MIISUWZJOHOZPP-LDBYLJPUSA-N 1 3 305.466 2.040 20 0 DEADHO O=C(N[C@@H]1CCN(C2CCCCC2)C1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000662874980 425754142 /nfs/dbraw/zinc/75/41/42/425754142.db2.gz MFRPKVKEOSAIIO-IDCNUPLLSA-N 1 3 319.493 2.430 20 0 DEADHO C[C@@H]1CN(CCN2CCC(CCC[NH+](C)C)CC2)C[C@@H](C)O1 ZINC000660158586 425755568 /nfs/dbraw/zinc/75/55/68/425755568.db2.gz NISCQNBLQWFXQT-IAGOWNOFSA-N 1 3 311.514 2.149 20 0 DEADHO C[C@@H]1CN(CCN2CCC(CCC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000660158585 425755604 /nfs/dbraw/zinc/75/56/04/425755604.db2.gz NISCQNBLQWFXQT-CALCHBBNSA-N 1 3 311.514 2.149 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000662886383 425755879 /nfs/dbraw/zinc/75/58/79/425755879.db2.gz FTNRRSZSVSGJMZ-NXOAAHMSSA-N 1 3 307.482 2.144 20 0 DEADHO COc1cc2nccc(N[C@H]3CC[NH2+][C@@H](C)C3)c2cc1OC ZINC000663239654 425820446 /nfs/dbraw/zinc/82/04/46/425820446.db2.gz OPQPIXXXSXRZSF-RYUDHWBXSA-N 1 3 301.390 2.226 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000398135715 269107938 /nfs/dbraw/zinc/10/79/38/269107938.db2.gz KYRYFLFIORZZJJ-SZVBFZGTSA-N 1 3 315.461 2.013 20 0 DEADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1cccc(F)c1 ZINC000423144376 269115350 /nfs/dbraw/zinc/11/53/50/269115350.db2.gz GUCBPYWPOGIZII-BSDSXHPESA-N 1 3 306.425 2.239 20 0 DEADHO N[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cc2cccc(F)c2)c2ccccc21 ZINC000423145303 269115598 /nfs/dbraw/zinc/11/55/98/269115598.db2.gz KASDNALXVBFZKR-ZTFGCOKTSA-N 1 3 300.377 2.464 20 0 DEADHO CC(C)N1CCN(CCCN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000514664596 269327042 /nfs/dbraw/zinc/32/70/42/269327042.db2.gz OVUGPTQFQODAIZ-RTBURBONSA-N 1 3 322.541 2.009 20 0 DEADHO C[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H]1CCCc2ccccc21 ZINC000514781965 269331419 /nfs/dbraw/zinc/33/14/19/269331419.db2.gz PZRHHFSGOPZEEG-QAPCUYQASA-N 1 3 315.461 2.193 20 0 DEADHO C[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H]1CCCc2ccccc21 ZINC000514781965 269331421 /nfs/dbraw/zinc/33/14/21/269331421.db2.gz PZRHHFSGOPZEEG-QAPCUYQASA-N 1 3 315.461 2.193 20 0 DEADHO CC(C)(C)N1CCC([NH2+]CCC(=O)Nc2cccnc2)CC1 ZINC000517733025 269390684 /nfs/dbraw/zinc/39/06/84/269390684.db2.gz VTQOAEPJRUQDSG-UHFFFAOYSA-N 1 3 304.438 2.263 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N(C)CCC[NH3+])CC1 ZINC000517719957 269390975 /nfs/dbraw/zinc/39/09/75/269390975.db2.gz LXURKZJCJFMPCS-HNNXBMFYSA-N 1 3 318.465 2.202 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)NC(C)(C)C[NH+](C)C)cc1 ZINC000418357212 276056430 /nfs/dbraw/zinc/05/64/30/276056430.db2.gz QRADOCVUCXECNF-INIZCTEOSA-N 1 3 320.481 2.449 20 0 DEADHO CC1CCC(N2CCN(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CC2)CC1 ZINC000418598261 276190189 /nfs/dbraw/zinc/19/01/89/276190189.db2.gz YQXHCKIHRRWXHV-GMRIPVOYSA-N 1 3 322.497 2.162 20 0 DEADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)[C@H](C)OC)CC1 ZINC000359989458 276196867 /nfs/dbraw/zinc/19/68/67/276196867.db2.gz YDYSPKCEMLFULC-SJORKVTESA-N 1 3 319.493 2.337 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415944742 276232713 /nfs/dbraw/zinc/23/27/13/276232713.db2.gz PONBREWIDIEKIB-SJORKVTESA-N 1 3 316.449 2.497 20 0 DEADHO CN(C)[C@H](CNC(=O)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1 ZINC000459774373 276789397 /nfs/dbraw/zinc/78/93/97/276789397.db2.gz JBHDOCPSVHRNQN-VSZNYVQBSA-N 1 3 315.461 2.184 20 0 DEADHO CN1CCCN(CCC[NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000268888917 277051424 /nfs/dbraw/zinc/05/14/24/277051424.db2.gz ONXRIWWDKMGJQM-GOSISDBHSA-N 1 3 305.441 2.430 20 0 DEADHO C[NH2+]Cc1cccc(NC(=O)N2CC[C@]3(C2)CCCN(C)C3)c1 ZINC000415929116 277287156 /nfs/dbraw/zinc/28/71/56/277287156.db2.gz IKIZWLHQMZIBAU-GOSISDBHSA-N 1 3 316.449 2.356 20 0 DEADHO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420317942 278134069 /nfs/dbraw/zinc/13/40/69/278134069.db2.gz PGOBNGPGFBFWTG-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO CC1CC[NH+](C2CCC(NC(=O)N3CCCNCC3)CC2)CC1 ZINC000417930403 278536806 /nfs/dbraw/zinc/53/68/06/278536806.db2.gz UCDSRZBVRBAWMT-UHFFFAOYSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000340907594 288086917 /nfs/dbraw/zinc/08/69/17/288086917.db2.gz XSXUKWJVKMUUQD-ILXRZTDVSA-N 1 3 321.490 2.199 20 0 DEADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000340907594 288086918 /nfs/dbraw/zinc/08/69/18/288086918.db2.gz XSXUKWJVKMUUQD-ILXRZTDVSA-N 1 3 321.490 2.199 20 0 DEADHO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC000433361005 279039752 /nfs/dbraw/zinc/03/97/52/279039752.db2.gz GYZOCQOIZLIDTQ-OAHLLOKOSA-N 1 3 303.450 2.162 20 0 DEADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC000433361005 279039755 /nfs/dbraw/zinc/03/97/55/279039755.db2.gz GYZOCQOIZLIDTQ-OAHLLOKOSA-N 1 3 303.450 2.162 20 0 DEADHO CC[NH+](CC)CC1CCN(C(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC000344872594 279091524 /nfs/dbraw/zinc/09/15/24/279091524.db2.gz LXYDKAXRQYDNSB-IYBDPMFKSA-N 1 3 309.498 2.440 20 0 DEADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)C1CCN(C2CC2)CC1 ZINC000338771632 279100840 /nfs/dbraw/zinc/10/08/40/279100840.db2.gz TXPGQOJAJZJSGG-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CCC(C[NH+](C)C)CC1 ZINC000356569503 279212814 /nfs/dbraw/zinc/21/28/14/279212814.db2.gz MQPIHXTYWNSLGJ-BZUAXINKSA-N 1 3 309.498 2.438 20 0 DEADHO CCN(Cc1ccc(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1)C1CC1 ZINC000261912918 279235143 /nfs/dbraw/zinc/23/51/43/279235143.db2.gz YHILOTRYAYGGND-ZBFHGGJFSA-N 1 3 315.461 2.480 20 0 DEADHO CC(C)N(C(=O)CN1CCC2(C1)CC[NH2+]CC2)C1CCCC1 ZINC000358520478 279276891 /nfs/dbraw/zinc/27/68/91/279276891.db2.gz VBQMBXPTIZEMPB-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C1=C(C)CCC1 ZINC000438055089 279328871 /nfs/dbraw/zinc/32/88/71/279328871.db2.gz YTFICLHABRSHQX-INIZCTEOSA-N 1 3 307.482 2.361 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C1=C(C)CCC1 ZINC000438055089 279328872 /nfs/dbraw/zinc/32/88/72/279328872.db2.gz YTFICLHABRSHQX-INIZCTEOSA-N 1 3 307.482 2.361 20 0 DEADHO CC(C)[N@H+](C)CCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000338422976 279359620 /nfs/dbraw/zinc/35/96/20/279359620.db2.gz RZFKCUWDWBWRCX-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO CC(C)[N@@H+](C)CCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000338422976 279359623 /nfs/dbraw/zinc/35/96/23/279359623.db2.gz RZFKCUWDWBWRCX-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO O=C([C@@H]1CCCN1C1CC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000427061522 280085709 /nfs/dbraw/zinc/08/57/09/280085709.db2.gz LZYUVOCVMOXFEV-JLSDUUJJSA-N 1 3 317.477 2.089 20 0 DEADHO O=C([C@@H]1CCCN1C1CC1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000427061522 280085710 /nfs/dbraw/zinc/08/57/10/280085710.db2.gz LZYUVOCVMOXFEV-JLSDUUJJSA-N 1 3 317.477 2.089 20 0 DEADHO CC(C)[C@H](CNC(=O)NC[C@H](C)N(C)C)[NH+]1CCCCCC1 ZINC000457633817 280246452 /nfs/dbraw/zinc/24/64/52/280246452.db2.gz XTSLFJQLUIEAAG-HOTGVXAUSA-N 1 3 312.502 2.136 20 0 DEADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000417323218 280279584 /nfs/dbraw/zinc/27/95/84/280279584.db2.gz GHPXXHNNOIPZBA-OWCLPIDISA-N 1 3 312.502 2.122 20 0 DEADHO CC1(C)CCCN[C@@H]1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000423431803 280990846 /nfs/dbraw/zinc/99/08/46/280990846.db2.gz VNVFNHQDZXCNRR-HZPDHXFCSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc2ccccc2c1 ZINC000103211492 281651444 /nfs/dbraw/zinc/65/14/44/281651444.db2.gz LFCUCMXGCSLKHD-UHFFFAOYSA-N 1 3 313.445 2.405 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CCCN1C ZINC000343798699 289054026 /nfs/dbraw/zinc/05/40/26/289054026.db2.gz NKSCQCUDCNXLGZ-UKRRQHHQSA-N 1 3 310.486 2.031 20 0 DEADHO C[C@H](C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)N1CCCCCC1 ZINC000339469013 289298034 /nfs/dbraw/zinc/29/80/34/289298034.db2.gz NFZVQHWSMCIQIO-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)N1[C@H](C)CC[C@@H]1C ZINC000247084144 289299977 /nfs/dbraw/zinc/29/99/77/289299977.db2.gz WWIXJKVDNQNWPS-ZHCJQAHYSA-N 1 3 307.482 2.190 20 0 DEADHO C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)N1[C@H](C)CC[C@@H]1C ZINC000247084144 289299978 /nfs/dbraw/zinc/29/99/78/289299978.db2.gz WWIXJKVDNQNWPS-ZHCJQAHYSA-N 1 3 307.482 2.190 20 0 DEADHO CN(C)[C@H](CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+])Cc1ccccc1 ZINC000345782613 289361549 /nfs/dbraw/zinc/36/15/49/289361549.db2.gz ZFFKXDSTVUJIEJ-SCTDSRPQSA-N 1 3 317.477 2.183 20 0 DEADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCN1CCC(C)CC1 ZINC000351653163 289406588 /nfs/dbraw/zinc/40/65/88/289406588.db2.gz UNASZOWORROQMB-MRXNPFEDSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000417020395 289462747 /nfs/dbraw/zinc/46/27/47/289462747.db2.gz IWWVAHCDRHVDFD-WBVHZDCISA-N 1 3 318.465 2.250 20 0 DEADHO CN(CCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)CC(F)(F)F ZINC000422857797 289628759 /nfs/dbraw/zinc/62/87/59/289628759.db2.gz HXABVAXGFPAUIZ-MGPQQGTHSA-N 1 3 307.404 2.381 20 0 DEADHO COc1cc([C@H](C)N[C@H]2CCCC[C@H]2C[NH3+])ccc1OCCO ZINC000422975063 295025623 /nfs/dbraw/zinc/02/56/23/295025623.db2.gz SEZONUKRBBRKDY-BPUTZDHNSA-N 1 3 322.449 2.234 20 0 DEADHO COc1cccc([C@@H](CNC(=O)CC[C@H](C)[NH3+])N2CCCC2)c1 ZINC000193291566 295314368 /nfs/dbraw/zinc/31/43/68/295314368.db2.gz ZDZCKDOZRKQIKJ-WMLDXEAASA-N 1 3 319.449 2.076 20 0 DEADHO O=C(C[NH2+][C@@H]1CCC12CCCC2)NC1CCN(C2CC2)CC1 ZINC000451454625 295521087 /nfs/dbraw/zinc/52/10/87/295521087.db2.gz JAXCHFLDFQXULJ-MRXNPFEDSA-N 1 3 305.466 2.042 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)/C=C/C[NH+](C)C)N(C)C ZINC000491964762 302202000 /nfs/dbraw/zinc/20/20/00/302202000.db2.gz OFQNXPPXYKGYNS-NMKXCRQWSA-N 1 3 303.450 2.220 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@H+](CC2CC2)C2CCCCC2)C1 ZINC000414693685 303365925 /nfs/dbraw/zinc/36/59/25/303365925.db2.gz MWUOBOZFUVNOQG-INIZCTEOSA-N 1 3 307.482 2.228 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@@H+](CC2CC2)C2CCCCC2)C1 ZINC000414693685 303365928 /nfs/dbraw/zinc/36/59/28/303365928.db2.gz MWUOBOZFUVNOQG-INIZCTEOSA-N 1 3 307.482 2.228 20 0 DEADHO NC[C@H]1CCC[C@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000422821453 303427450 /nfs/dbraw/zinc/42/74/50/303427450.db2.gz WHEQVWVSHKEQKG-ZIAGYGMSSA-N 1 3 307.404 2.368 20 0 DEADHO C[C@H](NC1CCN(C(=O)NC2CCCCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000567647160 325835251 /nfs/dbraw/zinc/83/52/51/325835251.db2.gz WVRATQCAPUZAEL-GJZGRUSLSA-N 1 3 322.497 2.081 20 0 DEADHO [NH3+]CCCN(CC1CCCC1)C(=O)[C@H]1CNCc2ccccc21 ZINC000567836208 325866896 /nfs/dbraw/zinc/86/68/96/325866896.db2.gz KPXZNPGOQJMPIM-SFHVURJKSA-N 1 3 315.461 2.241 20 0 DEADHO CN(CCC[NH3+])C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000574059664 326119535 /nfs/dbraw/zinc/11/95/35/326119535.db2.gz PEXTVJOPHZLLKN-DZGCQCFKSA-N 1 3 324.494 2.121 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CC=CCC3)CC2)CC1 ZINC000574411810 326152941 /nfs/dbraw/zinc/15/29/41/326152941.db2.gz SLVFJAZGFVWSNL-QGZVFWFLSA-N 1 3 319.493 2.408 20 0 DEADHO C[N@H+](C[C@H](O)CNCCn1ccc2cc(Cl)ccc21)C1CC1 ZINC000576746456 326315593 /nfs/dbraw/zinc/31/55/93/326315593.db2.gz IBTFZQIATBMASA-MRXNPFEDSA-N 1 3 321.852 2.339 20 0 DEADHO C[N@@H+](C[C@H](O)CNCCn1ccc2cc(Cl)ccc21)C1CC1 ZINC000576746456 326315594 /nfs/dbraw/zinc/31/55/94/326315594.db2.gz IBTFZQIATBMASA-MRXNPFEDSA-N 1 3 321.852 2.339 20 0 DEADHO CNC(=O)c1cccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000576805263 326319842 /nfs/dbraw/zinc/31/98/42/326319842.db2.gz INNBHTWQMNLZFW-KZNAEPCWSA-N 1 3 315.461 2.099 20 0 DEADHO C[C@H](c1ccncc1)N1CCC([NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000576837190 326323868 /nfs/dbraw/zinc/32/38/68/326323868.db2.gz HHGPCGSYVTTXOW-QGPMSJSTSA-N 1 3 302.466 2.467 20 0 DEADHO CC(C)[NH+](CCCNC(=O)[C@@H]1CNCc2ccccc21)C(C)C ZINC000577175905 326347383 /nfs/dbraw/zinc/34/73/83/326347383.db2.gz LEUAVXDKMFMLNR-GOSISDBHSA-N 1 3 317.477 2.499 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)CCCC[NH3+])CC1 ZINC000580308503 333090194 /nfs/dbraw/zinc/09/01/94/333090194.db2.gz HYVXQFDOVHJWSP-OAHLLOKOSA-N 1 3 303.450 2.457 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC34CCC4)CC2)CC1 ZINC000582071217 333199940 /nfs/dbraw/zinc/19/99/40/333199940.db2.gz LDERJQUUNLZKEN-UHFFFAOYSA-N 1 3 319.493 2.338 20 0 DEADHO CCN1CCC([N@@H+]2CCCN(Cc3ccncc3C)CC2)CC1 ZINC000582839122 337207553 /nfs/dbraw/zinc/20/75/53/337207553.db2.gz KNLKLTMBBFYOHT-UHFFFAOYSA-N 1 3 316.493 2.382 20 0 DEADHO CCN1CCC([N@H+]2CCCN(Cc3ccncc3C)CC2)CC1 ZINC000582839122 337207554 /nfs/dbraw/zinc/20/75/54/337207554.db2.gz KNLKLTMBBFYOHT-UHFFFAOYSA-N 1 3 316.493 2.382 20 0 DEADHO CC[NH+]1CCC(N2CCCN(Cc3ccncc3C)CC2)CC1 ZINC000582839122 337207555 /nfs/dbraw/zinc/20/75/55/337207555.db2.gz KNLKLTMBBFYOHT-UHFFFAOYSA-N 1 3 316.493 2.382 20 0 DEADHO C[C@@H](C(=O)N1CCc2ccccc2C1)N1CCC(CC[NH3+])CC1 ZINC000582971043 337224398 /nfs/dbraw/zinc/22/43/98/337224398.db2.gz UHHQZSRMLJCHOG-HNNXBMFYSA-N 1 3 315.461 2.021 20 0 DEADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)COc2cc(C)cc(C)c2)C1 ZINC000584585438 337369308 /nfs/dbraw/zinc/36/93/08/337369308.db2.gz DVDVSIUKZNBZIP-QZTJIDSGSA-N 1 3 320.477 2.365 20 0 DEADHO C[C@@H](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CC1CC1 ZINC001377070233 1159890678 /nfs/dbraw/zinc/89/06/78/1159890678.db2.gz VSRZIDUNNJAKGI-GUYCJALGSA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)N(CCN(C)Cc1ccccc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001369532452 1149023458 /nfs/dbraw/zinc/02/34/58/1149023458.db2.gz NNJUFUXKDSICDG-SFHVURJKSA-N 1 3 317.477 2.307 20 0 DEADHO CC(C)N(CCN(C)Cc1ccccc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001369532452 1149023463 /nfs/dbraw/zinc/02/34/63/1149023463.db2.gz NNJUFUXKDSICDG-SFHVURJKSA-N 1 3 317.477 2.307 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H](C)CNC/C(Cl)=C\Cl)[NH+](C)C ZINC001378605937 1152392094 /nfs/dbraw/zinc/39/20/94/1152392094.db2.gz YCIJNWFRIWDTSO-FTKQDORFSA-N 1 3 324.296 2.234 20 0 DEADHO CC1CCC(C[N@H+](C)CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001399497483 1161426548 /nfs/dbraw/zinc/42/65/48/1161426548.db2.gz IFCZVNFWIJYXKI-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CC1CCC(C[N@@H+](C)CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001399497483 1161426559 /nfs/dbraw/zinc/42/65/59/1161426559.db2.gz IFCZVNFWIJYXKI-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCC1)N(C)C ZINC001399906213 1161604673 /nfs/dbraw/zinc/60/46/73/1161604673.db2.gz QJUZUTWDYBVVRT-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCC1)N(C)C ZINC001399906213 1161604675 /nfs/dbraw/zinc/60/46/75/1161604675.db2.gz QJUZUTWDYBVVRT-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H]([NH2+]C1CC1)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000295614830 533792795 /nfs/dbraw/zinc/79/27/95/533792795.db2.gz GNGAAMQNWBMXII-ZDUSSCGKSA-N 1 3 323.868 2.371 20 0 DEADHO C[C@@H](CNC(=O)N(CCC[NH3+])Cc1ccccc1)N(C)C1CC1 ZINC000417551869 533912204 /nfs/dbraw/zinc/91/22/04/533912204.db2.gz PCNLBVUDHCBERJ-HNNXBMFYSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1cnccc1N ZINC000422904893 533923206 /nfs/dbraw/zinc/92/32/06/533923206.db2.gz YHBFOZBLNOOWPM-AWEZNQCLSA-N 1 3 314.433 2.285 20 0 DEADHO C[C@@H](CNC(=O)N1CCCC[C@H]1C[NH3+])N(C)Cc1ccccc1 ZINC000417561705 533919139 /nfs/dbraw/zinc/91/91/39/533919139.db2.gz BKCHSXDOXXYYPP-RDJZCZTQSA-N 1 3 318.465 2.030 20 0 DEADHO CN(CC[N@H+](C)CCCc1ccsc1)C(=O)[C@@H]1CCCN1C ZINC001401359439 1161949249 /nfs/dbraw/zinc/94/92/49/1161949249.db2.gz MJRUFVXOYCYAFS-INIZCTEOSA-N 1 3 323.506 2.165 20 0 DEADHO CN(CC[N@@H+](C)CCCc1ccsc1)C(=O)[C@@H]1CCCN1C ZINC001401359439 1161949251 /nfs/dbraw/zinc/94/92/51/1161949251.db2.gz MJRUFVXOYCYAFS-INIZCTEOSA-N 1 3 323.506 2.165 20 0 DEADHO C[C@H](c1ccccc1)N(C)CCN(C)C(=O)CCC[NH+](C)C ZINC001401387507 1161968348 /nfs/dbraw/zinc/96/83/48/1161968348.db2.gz YUOLCYPBXWCGMD-MRXNPFEDSA-N 1 3 305.466 2.480 20 0 DEADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Oc1ccccc1 ZINC000422977786 534123901 /nfs/dbraw/zinc/12/39/01/534123901.db2.gz GEVQCOJHRMLZLU-BZZMCLGOSA-N 1 3 304.434 2.201 20 0 DEADHO COc1ccc(NC(=O)[C@H](C)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443057563 534159530 /nfs/dbraw/zinc/15/95/30/534159530.db2.gz GZIRYYMBGDRNBT-UONOGXRCSA-N 1 3 305.422 2.083 20 0 DEADHO C/C(=C/c1ccccc1)C[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000105474670 518414721 /nfs/dbraw/zinc/41/47/21/518414721.db2.gz BYDLYIVNMSJPFB-ZUTYSQTGSA-N 1 3 315.461 2.267 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN(C)C2CCC(C)CC2)CC1 ZINC000114453963 519670965 /nfs/dbraw/zinc/67/09/65/519670965.db2.gz SUBQIBVPTWNBJP-UHFFFAOYSA-N 1 3 309.498 2.486 20 0 DEADHO CCN1CCC(NC(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000339478835 521574576 /nfs/dbraw/zinc/57/45/76/521574576.db2.gz SPOQCTOPVOCCFV-UHFFFAOYSA-N 1 3 310.486 2.034 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]CCCn2ccnc2C)[C@H](C)C1 ZINC000338009026 521707988 /nfs/dbraw/zinc/70/79/88/521707988.db2.gz AXCKZSYWBWGHNR-AEFFLSMTSA-N 1 3 322.497 2.308 20 0 DEADHO CCN1CC[C@H]([NH2+]Cc2cccc(CS(C)(=O)=O)c2)[C@H](C)C1 ZINC000131583952 521721646 /nfs/dbraw/zinc/72/16/46/521721646.db2.gz DZUPEIAXDZKYER-PBHICJAKSA-N 1 3 324.490 2.051 20 0 DEADHO CN(CCN1CCCC1)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000103246797 522017534 /nfs/dbraw/zinc/01/75/34/522017534.db2.gz IZUOOOSDEQUYRZ-KRWDZBQOSA-N 1 3 324.513 2.234 20 0 DEADHO [NH3+]CC[C@H]1CCCN(CC(=O)NC2(c3ccccc3)CCC2)C1 ZINC000443070413 534653426 /nfs/dbraw/zinc/65/34/26/534653426.db2.gz LFCKDXYDRIAVGB-MRXNPFEDSA-N 1 3 315.461 2.243 20 0 DEADHO CC[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)C ZINC000124452257 523771140 /nfs/dbraw/zinc/77/11/40/523771140.db2.gz KRWZYCOHQOETPG-QGZVFWFLSA-N 1 3 303.450 2.107 20 0 DEADHO C[C@H](CCc1c(F)cccc1F)NC[C@H](O)C[NH+]1CCCC1 ZINC000337984793 524230617 /nfs/dbraw/zinc/23/06/17/524230617.db2.gz AZFVIXRNWMQLSA-KGLIPLIRSA-N 1 3 312.404 2.332 20 0 DEADHO C[C@H](CNC(=O)NCC1([NH+](C)C)CCCC1)N1CCC(C)CC1 ZINC000338310111 524408334 /nfs/dbraw/zinc/40/83/34/524408334.db2.gz MLTKZCKMXRFMLW-MRXNPFEDSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H](CNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)N(C)C1CC1 ZINC000105134821 524411554 /nfs/dbraw/zinc/41/15/54/524411554.db2.gz ANAJNGUSJPUGDP-JKSUJKDBSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H](CNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1)N(C)C1CC1 ZINC000105134821 524411562 /nfs/dbraw/zinc/41/15/62/524411562.db2.gz ANAJNGUSJPUGDP-JKSUJKDBSA-N 1 3 324.513 2.280 20 0 DEADHO CC[C@@H](C(=O)N1CCC([N@H+](C)CCC(F)(F)F)CC1)N(C)C ZINC001378934491 1152496846 /nfs/dbraw/zinc/49/68/46/1152496846.db2.gz ICIRTSXVYGRTRC-ZDUSSCGKSA-N 1 3 323.403 2.202 20 0 DEADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)CCC(F)(F)F)CC1)N(C)C ZINC001378934491 1152496850 /nfs/dbraw/zinc/49/68/50/1152496850.db2.gz ICIRTSXVYGRTRC-ZDUSSCGKSA-N 1 3 323.403 2.202 20 0 DEADHO CC(C)(C(=O)NCCC[C@@H]1CCC[NH2+]1)[C@@H](N)c1ccccc1 ZINC000417841288 527518264 /nfs/dbraw/zinc/51/82/64/527518264.db2.gz SXXKCTQVZKEVDE-HOTGVXAUSA-N 1 3 303.450 2.361 20 0 DEADHO CC(C)(C(=O)NC[C@]1(C)CCC[NH2+]C1)[C@H](N)c1ccccc1 ZINC000417808039 527526331 /nfs/dbraw/zinc/52/63/31/527526331.db2.gz KVGAXWBOMLJDNL-CRAIPNDOSA-N 1 3 303.450 2.219 20 0 DEADHO CCCN(C(=O)NC[C@H](C)N1CCC(C)CC1)C1CC[NH2+]CC1 ZINC000417317558 527756805 /nfs/dbraw/zinc/75/68/05/527756805.db2.gz WXGAXUVHDGBJOJ-INIZCTEOSA-N 1 3 324.513 2.280 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000418448016 527845273 /nfs/dbraw/zinc/84/52/73/527845273.db2.gz IYOSZXSWHOVXBR-WBVHZDCISA-N 1 3 318.465 2.060 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000418448016 527845275 /nfs/dbraw/zinc/84/52/75/527845275.db2.gz IYOSZXSWHOVXBR-WBVHZDCISA-N 1 3 318.465 2.060 20 0 DEADHO CCCC(=O)Nc1ccc(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000422881394 527961027 /nfs/dbraw/zinc/96/10/27/527961027.db2.gz NMKZDMYGVNKVPB-KBRIMQKVSA-N 1 3 319.449 2.267 20 0 DEADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)C1 ZINC000423001133 527986752 /nfs/dbraw/zinc/98/67/52/527986752.db2.gz WRPIVMSVQUWHFQ-NCXUSEDFSA-N 1 3 323.525 2.101 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000418346148 528083343 /nfs/dbraw/zinc/08/33/43/528083343.db2.gz POFIKQMZLBRTDR-IRXDYDNUSA-N 1 3 324.513 2.282 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)NC2CCC([NH3+])CC2)cc1 ZINC000418350042 528143335 /nfs/dbraw/zinc/14/33/35/528143335.db2.gz KTHANHBMPSGHTI-OFLPRAFFSA-N 1 3 318.465 2.379 20 0 DEADHO CC1CCC(N2CCN(C(=O)N[C@@H]3CC[NH2+][C@H](C)C3)CC2)CC1 ZINC000418596721 528194463 /nfs/dbraw/zinc/19/44/63/528194463.db2.gz HFSMBKZKOFAEOR-JCCCHCCOSA-N 1 3 322.497 2.033 20 0 DEADHO CCCC[N@H+](C)CCNC(=O)NC[C@H](N)c1ccccc1CC ZINC000417605865 528345208 /nfs/dbraw/zinc/34/52/08/528345208.db2.gz CNTXJWRUSBVXGX-KRWDZBQOSA-N 1 3 320.481 2.280 20 0 DEADHO CCCC[N@@H+](C)CCNC(=O)NC[C@H](N)c1ccccc1CC ZINC000417605865 528345212 /nfs/dbraw/zinc/34/52/12/528345212.db2.gz CNTXJWRUSBVXGX-KRWDZBQOSA-N 1 3 320.481 2.280 20 0 DEADHO CCN(CCC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N)c1ccccc1 ZINC000422783004 528459661 /nfs/dbraw/zinc/45/96/61/528459661.db2.gz KJXGKJYUXOUQOV-RYQLBKOJSA-N 1 3 305.466 2.245 20 0 DEADHO CCN(CCCN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+])c1ccccc1 ZINC000422783004 528459664 /nfs/dbraw/zinc/45/96/64/528459664.db2.gz KJXGKJYUXOUQOV-RYQLBKOJSA-N 1 3 305.466 2.245 20 0 DEADHO CC(C)[C@@H](CN[C@H](C)C[C@@H]1CCCCC[NH2+]1)N1CCOCC1 ZINC000422801328 528465377 /nfs/dbraw/zinc/46/53/77/528465377.db2.gz FGIGFPDZTGVDJB-FGTMMUONSA-N 1 3 311.514 2.244 20 0 DEADHO CC(C)[C@@H](N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000292608476 528499485 /nfs/dbraw/zinc/49/94/85/528499485.db2.gz XEXFLJUCCMSKAD-BHYGNILZSA-N 1 3 303.450 2.139 20 0 DEADHO CC(C)[C@@H](N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000292608476 528499487 /nfs/dbraw/zinc/49/94/87/528499487.db2.gz XEXFLJUCCMSKAD-BHYGNILZSA-N 1 3 303.450 2.139 20 0 DEADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000429180927 528528104 /nfs/dbraw/zinc/52/81/04/528528104.db2.gz JRHBARQRSIAYTF-WBVHZDCISA-N 1 3 321.440 2.137 20 0 DEADHO CC(C)C[C@H](CO)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422973878 528548866 /nfs/dbraw/zinc/54/88/66/528548866.db2.gz PUMNSYYNWQRLHY-KYJSFNMBSA-N 1 3 304.434 2.239 20 0 DEADHO CCOC(=O)C1([C@@H](C)N[C@@H](C)c2ccccn2)CC[NH2+]CC1 ZINC000422741652 528609495 /nfs/dbraw/zinc/60/94/95/528609495.db2.gz FDKZPXMRCXGXGX-UONOGXRCSA-N 1 3 305.422 2.054 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H](C)CC[NH3+] ZINC000418535222 528779037 /nfs/dbraw/zinc/77/90/37/528779037.db2.gz YUXJHCSTDNSVHS-CQSZACIVSA-N 1 3 306.454 2.017 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@H]([NH3+])C(C)C ZINC000418398525 528779230 /nfs/dbraw/zinc/77/92/30/528779230.db2.gz FKGGXDPPOFAFQQ-KRWDZBQOSA-N 1 3 320.481 2.263 20 0 DEADHO CCC(CC)[C@H](C[NH2+][C@H](C)C[C@H]1COCCN1)N1CCCC1 ZINC000422820980 528855338 /nfs/dbraw/zinc/85/53/38/528855338.db2.gz TXTAQYBPKIXYOB-NJAFHUGGSA-N 1 3 311.514 2.244 20 0 DEADHO CCC(CC)[C@H](CN[C@H](C)C[C@H]1COCCN1)[NH+]1CCCC1 ZINC000422820980 528855342 /nfs/dbraw/zinc/85/53/42/528855342.db2.gz TXTAQYBPKIXYOB-NJAFHUGGSA-N 1 3 311.514 2.244 20 0 DEADHO CCC([NH3+])(CC)CNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000417318614 528934910 /nfs/dbraw/zinc/93/49/10/528934910.db2.gz ZEPWPFVPBZQYTN-INIZCTEOSA-N 1 3 320.481 2.414 20 0 DEADHO CCCC[C@H](C[NH3+])NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000418189813 528947877 /nfs/dbraw/zinc/94/78/77/528947877.db2.gz VTKBDIIAEKUBEE-DJIMGWMZSA-N 1 3 320.481 2.495 20 0 DEADHO CC(C)[C@H](CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])Nc1ccccc1 ZINC000422974381 529016523 /nfs/dbraw/zinc/01/65/23/529016523.db2.gz DUMNQHJDNNYNSB-SPUZQDLCSA-N 1 3 305.466 2.465 20 0 DEADHO CC(C)[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N)Nc1ccccc1 ZINC000422974381 529016526 /nfs/dbraw/zinc/01/65/26/529016526.db2.gz DUMNQHJDNNYNSB-SPUZQDLCSA-N 1 3 305.466 2.465 20 0 DEADHO CC(C)[NH+]1CCC(N(C)C(=O)C2CCN(C3CC3)CC2)CC1 ZINC000493261465 535150531 /nfs/dbraw/zinc/15/05/31/535150531.db2.gz UAKBKTLNMMUYLA-UHFFFAOYSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](c3ccco3)C2)CC1 ZINC000376415961 535198376 /nfs/dbraw/zinc/19/83/76/535198376.db2.gz MRIWTJQCRWUQLS-KRWDZBQOSA-N 1 3 305.466 2.485 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](c3ccco3)C2)CC1 ZINC000376415961 535198382 /nfs/dbraw/zinc/19/83/82/535198382.db2.gz MRIWTJQCRWUQLS-KRWDZBQOSA-N 1 3 305.466 2.485 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261708862 535363814 /nfs/dbraw/zinc/36/38/14/535363814.db2.gz KFHGCUZAAYTEBT-SQNIBIBYSA-N 1 3 315.461 2.062 20 0 DEADHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000358234060 535526483 /nfs/dbraw/zinc/52/64/83/535526483.db2.gz PIZBLMKIMPMTAJ-CABCVRRESA-N 1 3 324.490 2.473 20 0 DEADHO CCO[C@H]1CC[N@H+](CCCN2CCN(C(C)C)CC2)C[C@H]1C ZINC000451548257 535629399 /nfs/dbraw/zinc/62/93/99/535629399.db2.gz UYMFGHSLPRRBPW-MSOLQXFVSA-N 1 3 311.514 2.149 20 0 DEADHO CCO[C@H]1CC[N@@H+](CCCN2CCN(C(C)C)CC2)C[C@H]1C ZINC000451548257 535629405 /nfs/dbraw/zinc/62/94/05/535629405.db2.gz UYMFGHSLPRRBPW-MSOLQXFVSA-N 1 3 311.514 2.149 20 0 DEADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccc(C)cc2OC)CC1 ZINC000449131061 535707465 /nfs/dbraw/zinc/70/74/65/535707465.db2.gz JVUJECCOKSQPOO-KRWDZBQOSA-N 1 3 319.493 2.367 20 0 DEADHO CCN1C[C@H]([NH2+]CC2CCN(c3ccncc3)CC2)[C@@H](C)C1 ZINC000357341869 535783874 /nfs/dbraw/zinc/78/38/74/535783874.db2.gz HZDNHDOHJLWZLX-YJBOKZPZSA-N 1 3 302.466 2.228 20 0 DEADHO CN(C)C[C@H](NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1 ZINC000353429496 535953229 /nfs/dbraw/zinc/95/32/29/535953229.db2.gz TZFPDGLUYGMCKH-KSZLIROESA-N 1 3 315.461 2.041 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000377806768 536022374 /nfs/dbraw/zinc/02/23/74/536022374.db2.gz JDBWCOGDMQGDJR-GOSISDBHSA-N 1 3 315.461 2.210 20 0 DEADHO CN(C[C@@H](O)C(F)(F)F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000359585898 536417036 /nfs/dbraw/zinc/41/70/36/536417036.db2.gz SXULPZYGCKGYNU-CQSZACIVSA-N 1 3 317.355 2.153 20 0 DEADHO CNC(=O)c1ccc(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)cc1 ZINC000372301184 536423536 /nfs/dbraw/zinc/42/35/36/536423536.db2.gz HPEDFMDOXOQIKV-SFHVURJKSA-N 1 3 315.461 2.210 20 0 DEADHO CNC(=O)c1ccc(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)cc1 ZINC000372301184 536423543 /nfs/dbraw/zinc/42/35/43/536423543.db2.gz HPEDFMDOXOQIKV-SFHVURJKSA-N 1 3 315.461 2.210 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)CCN1Cc1ccsc1 ZINC001368691444 1148580190 /nfs/dbraw/zinc/58/01/90/1148580190.db2.gz JZPRQGNNIFXBCO-HIFRSBDPSA-N 1 3 309.479 2.169 20 0 DEADHO CCc1cccc(CN2CC[C@H](NC(=O)CC[NH+](C)C)[C@H]2C)c1 ZINC001368784778 1148658154 /nfs/dbraw/zinc/65/81/54/1148658154.db2.gz LDASENHYMVDPOG-QAPCUYQASA-N 1 3 317.477 2.280 20 0 DEADHO CN(C)CCC[N@H+](C)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001363908572 1153712937 /nfs/dbraw/zinc/71/29/37/1153712937.db2.gz WDGHXSKMISIBQK-GFCCVEGCSA-N 1 3 323.428 2.418 20 0 DEADHO CN(C)CCC[N@@H+](C)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001363908572 1153712940 /nfs/dbraw/zinc/71/29/40/1153712940.db2.gz WDGHXSKMISIBQK-GFCCVEGCSA-N 1 3 323.428 2.418 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2ccsc2)C1)N(C)C ZINC001024039440 625555763 /nfs/dbraw/zinc/55/57/63/625555763.db2.gz WKESJTWRGOYUTN-GOEBONIOSA-N 1 3 323.506 2.417 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC2CCC([NH2+]CCF)CC2)c1 ZINC001026609398 625562695 /nfs/dbraw/zinc/56/26/95/625562695.db2.gz GLSXTXBMGWGKJN-UHFFFAOYSA-N 1 3 321.440 2.348 20 0 DEADHO CC(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC000969655646 622869451 /nfs/dbraw/zinc/86/94/51/622869451.db2.gz ZIBUDLMBEXCNSY-WBVHZDCISA-N 1 3 309.498 2.342 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCC2)C1 ZINC000969792093 622923097 /nfs/dbraw/zinc/92/30/97/622923097.db2.gz HDEAXERXABJWBT-RHSMWYFYSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H]2CCc3ccccc32)C1)N(C)C ZINC000969985607 623038254 /nfs/dbraw/zinc/03/82/54/623038254.db2.gz JOHZQNZGSUZXGD-NJAFHUGGSA-N 1 3 315.461 2.205 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cccc(C)c2)C1)N(C)C ZINC000969986442 623039049 /nfs/dbraw/zinc/03/90/49/623039049.db2.gz ZIISJRZKYIVMDY-SJORKVTESA-N 1 3 303.450 2.026 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000970102948 623121656 /nfs/dbraw/zinc/12/16/56/623121656.db2.gz IENDRQDTHUXIEQ-HUUCEWRRSA-N 1 3 312.417 2.212 20 0 DEADHO CC1(C)CCC(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC000970103398 623122313 /nfs/dbraw/zinc/12/23/13/623122313.db2.gz NVGIRASRNGMVHS-OAHLLOKOSA-N 1 3 318.465 2.359 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC2CC2)C1 ZINC000970177574 623281422 /nfs/dbraw/zinc/28/14/22/623281422.db2.gz YQQXJVHYRLYYAL-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCC2)C1 ZINC001021090878 623336529 /nfs/dbraw/zinc/33/65/29/623336529.db2.gz MSSBWDLPRVYMMV-ZHZCFWQKSA-N 1 3 307.482 2.286 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]Cc2ccsc2)C1)N(C)C ZINC001024162560 625645343 /nfs/dbraw/zinc/64/53/43/625645343.db2.gz WKESJTWRGOYUTN-ZBFHGGJFSA-N 1 3 323.506 2.417 20 0 DEADHO CC(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC000970530224 623523679 /nfs/dbraw/zinc/52/36/79/623523679.db2.gz WXDAIGNMDREKCO-RDJZCZTQSA-N 1 3 309.498 2.342 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001021447812 623634584 /nfs/dbraw/zinc/63/45/84/623634584.db2.gz CPOAIJXSYUFSJO-MQVJKMGUSA-N 1 3 316.449 2.172 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001021447812 623634587 /nfs/dbraw/zinc/63/45/87/623634587.db2.gz CPOAIJXSYUFSJO-MQVJKMGUSA-N 1 3 316.449 2.172 20 0 DEADHO CC(C)C[NH2+][C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC000970787759 623682309 /nfs/dbraw/zinc/68/23/09/623682309.db2.gz GCCSGCOODXEQJZ-MRXNPFEDSA-N 1 3 303.450 2.208 20 0 DEADHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)C1C[NH+](CC2CC2)C1 ZINC000970918006 623790915 /nfs/dbraw/zinc/79/09/15/623790915.db2.gz QRECVPOWMAANLM-CQSZACIVSA-N 1 3 315.461 2.208 20 0 DEADHO CCC[NH+]1CC([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC000970928137 623797160 /nfs/dbraw/zinc/79/71/60/623797160.db2.gz JQEZQHSYTSWKER-AWEZNQCLSA-N 1 3 303.450 2.208 20 0 DEADHO O=C1Nc2ccccc2CC[C@@H]1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261899960 624136365 /nfs/dbraw/zinc/13/63/65/624136365.db2.gz OSDXHYVLIJNWFJ-WMZOPIPTSA-N 1 3 313.445 2.404 20 0 DEADHO CC1CC(C[N@H+](C)[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000971674392 624500165 /nfs/dbraw/zinc/50/01/65/624500165.db2.gz SAKQCMKIYSURKH-UYSNPLJNSA-N 1 3 307.482 2.050 20 0 DEADHO CC1CC(C[N@@H+](C)[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000971674392 624500167 /nfs/dbraw/zinc/50/01/67/624500167.db2.gz SAKQCMKIYSURKH-UYSNPLJNSA-N 1 3 307.482 2.050 20 0 DEADHO OCc1cnccc1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000892094293 624779630 /nfs/dbraw/zinc/77/96/30/624779630.db2.gz HJIGOBBRJNXUCR-UHFFFAOYSA-N 1 3 303.450 2.452 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)CC2CCCC2)C1 ZINC000972333231 624932499 /nfs/dbraw/zinc/93/24/99/624932499.db2.gz UVBGCNPBXZZHNJ-WBVHZDCISA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)CC2CCCC2)C1 ZINC000972333231 624932500 /nfs/dbraw/zinc/93/25/00/624932500.db2.gz UVBGCNPBXZZHNJ-WBVHZDCISA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCC2)C1 ZINC001020144203 625046078 /nfs/dbraw/zinc/04/60/78/625046078.db2.gz USOSMCTVXXFABQ-ULQDDVLXSA-N 1 3 307.482 2.286 20 0 DEADHO CC1CC(C[NH2+]C[C@@H]2CCCCN2C(=O)C2(N(C)C)CCC2)C1 ZINC001024982500 625126453 /nfs/dbraw/zinc/12/64/53/625126453.db2.gz QXELUNNCTYHOES-JCYILVPMSA-N 1 3 321.509 2.488 20 0 DEADHO Nc1cc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c(Cl)cn1 ZINC000892600156 625182254 /nfs/dbraw/zinc/18/22/54/625182254.db2.gz DQBGPWGFIUMTCH-NSHDSACASA-N 1 3 310.829 2.230 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]CC2CCC2)C1 ZINC001025086020 625200469 /nfs/dbraw/zinc/20/04/69/625200469.db2.gz ZZWBZPDLEZVVMQ-DOTOQJQBSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)(C)N1CCC([NH2+][C@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000892633039 625208696 /nfs/dbraw/zinc/20/86/96/625208696.db2.gz QMVVDQATNPJWHN-CABCVRRESA-N 1 3 314.445 2.473 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001007326706 625219077 /nfs/dbraw/zinc/21/90/77/625219077.db2.gz IUGRNLSCGJYAQD-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001007326706 625219079 /nfs/dbraw/zinc/21/90/79/625219079.db2.gz IUGRNLSCGJYAQD-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001023364550 625238792 /nfs/dbraw/zinc/23/87/92/625238792.db2.gz LJMPTTPBISWHJT-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001023364550 625238798 /nfs/dbraw/zinc/23/87/98/625238798.db2.gz LJMPTTPBISWHJT-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC1 ZINC001025168843 625242636 /nfs/dbraw/zinc/24/26/36/625242636.db2.gz ZAENHKNRGXVQKN-SJORKVTESA-N 1 3 307.482 2.242 20 0 DEADHO Cc1nc(CN[C@@H]2CCN(C3CC[NH+](C)CC3)C2)sc1C ZINC000892947888 625761714 /nfs/dbraw/zinc/76/17/14/625761714.db2.gz JSERBOHQWCAJDN-CQSZACIVSA-N 1 3 308.495 2.018 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001000188579 634783855 /nfs/dbraw/zinc/78/38/55/634783855.db2.gz BNOVTTHPLRQOLF-FUHWJXTLSA-N 1 3 315.461 2.252 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001000226375 634800997 /nfs/dbraw/zinc/80/09/97/634800997.db2.gz MGUWQGXKXWOQGV-SJORKVTESA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000925701977 633172415 /nfs/dbraw/zinc/17/24/15/633172415.db2.gz IUSXEAJQQJSGOH-WCWVYFQPSA-N 1 3 323.525 2.242 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)C1)C1CC1 ZINC001026887547 633248163 /nfs/dbraw/zinc/24/81/63/633248163.db2.gz RCOAFMBNNHDCPJ-SJLPKXTDSA-N 1 3 319.493 2.265 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccccc2C)C1)N(C)C ZINC001026917126 633263101 /nfs/dbraw/zinc/26/31/01/633263101.db2.gz WRLIJAFSZJKIEU-SJLPKXTDSA-N 1 3 317.477 2.273 20 0 DEADHO CC1(C)C[N@H+](CC2CCC2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC000974772612 633296570 /nfs/dbraw/zinc/29/65/70/633296570.db2.gz HGGLCRQDXSUVGY-MRXNPFEDSA-N 1 3 319.493 2.242 20 0 DEADHO CC1(C)C[N@@H+](CC2CCC2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC000974772612 633296572 /nfs/dbraw/zinc/29/65/72/633296572.db2.gz HGGLCRQDXSUVGY-MRXNPFEDSA-N 1 3 319.493 2.242 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](C[NH2+]Cc2ccccc2)C1 ZINC001027063579 633385208 /nfs/dbraw/zinc/38/52/08/633385208.db2.gz NVYKXMKOTIZCSS-SJLPKXTDSA-N 1 3 315.461 2.109 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001027235584 633506531 /nfs/dbraw/zinc/50/65/31/633506531.db2.gz SMPDXVOXIMHXEN-QZTJIDSGSA-N 1 3 321.509 2.489 20 0 DEADHO O=C(CN1CCCC1)N1CCC([NH2+]CCC2CCCC2)CC1 ZINC000997306712 633705229 /nfs/dbraw/zinc/70/52/29/633705229.db2.gz JDCSFCTYIOXNTD-UHFFFAOYSA-N 1 3 307.482 2.243 20 0 DEADHO O=C(CN1CCCC1)N1CCC([NH2+]CC2CCCCC2)CC1 ZINC000997307410 633705243 /nfs/dbraw/zinc/70/52/43/633705243.db2.gz QQYRACLQYSKRML-UHFFFAOYSA-N 1 3 307.482 2.243 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC(C[NH2+]CC2=CCCCC2)CC1 ZINC000998115685 634146128 /nfs/dbraw/zinc/14/61/28/634146128.db2.gz NTWQUNSMLBHFKB-UHFFFAOYSA-N 1 3 316.449 2.281 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([N@H+](C)CCC3CC3)C2)C1 ZINC001027576802 634179142 /nfs/dbraw/zinc/17/91/42/634179142.db2.gz WZUWMQIHNMYGMS-WBVHZDCISA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([N@@H+](C)CCC3CC3)C2)C1 ZINC001027576802 634179147 /nfs/dbraw/zinc/17/91/47/634179147.db2.gz WZUWMQIHNMYGMS-WBVHZDCISA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC000978147973 634225900 /nfs/dbraw/zinc/22/59/00/634225900.db2.gz ONSFLZAGLRRBBN-FJIDUMEYSA-N 1 3 321.509 2.199 20 0 DEADHO CC(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC000978147973 634225905 /nfs/dbraw/zinc/22/59/05/634225905.db2.gz ONSFLZAGLRRBBN-FJIDUMEYSA-N 1 3 321.509 2.199 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001027879875 634853794 /nfs/dbraw/zinc/85/37/94/634853794.db2.gz ZQOCOOKRRYGANQ-IAGOWNOFSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001027879875 634853797 /nfs/dbraw/zinc/85/37/97/634853797.db2.gz ZQOCOOKRRYGANQ-IAGOWNOFSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC2CC2)C1 ZINC001000381151 635166281 /nfs/dbraw/zinc/16/62/81/635166281.db2.gz XWYAYGBMBKYHOU-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(CC[C@@H](C)F)CC1 ZINC000981283184 635421381 /nfs/dbraw/zinc/42/13/81/635421381.db2.gz ONJJVOMSFJWQIY-CVEARBPZSA-N 1 3 313.461 2.143 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCCN(CC[C@@H](C)F)CC1 ZINC000981283184 635421385 /nfs/dbraw/zinc/42/13/85/635421385.db2.gz ONJJVOMSFJWQIY-CVEARBPZSA-N 1 3 313.461 2.143 20 0 DEADHO Cc1cc(C(F)(F)F)nn1CCN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000925805353 635443681 /nfs/dbraw/zinc/44/36/81/635443681.db2.gz STUAXLRRYNODOD-VXGBXAGGSA-N 1 3 304.360 2.188 20 0 DEADHO CCCCN1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000981438182 635483252 /nfs/dbraw/zinc/48/32/52/635483252.db2.gz KXIQHXXTEIGSJE-SJORKVTESA-N 1 3 307.482 2.338 20 0 DEADHO CCCCN1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000981438182 635483255 /nfs/dbraw/zinc/48/32/55/635483255.db2.gz KXIQHXXTEIGSJE-SJORKVTESA-N 1 3 307.482 2.338 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCC2CC2)C1 ZINC000981486540 635500495 /nfs/dbraw/zinc/50/04/95/635500495.db2.gz NZYJHXRLHWQRBS-CABCVRRESA-N 1 3 304.438 2.078 20 0 DEADHO CCCC[N@@H+]1CCCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000981816265 635667947 /nfs/dbraw/zinc/66/79/47/635667947.db2.gz TXZPGQCYZYNLBS-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CCCC[N@H+]1CCCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000981816265 635667949 /nfs/dbraw/zinc/66/79/49/635667949.db2.gz TXZPGQCYZYNLBS-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)C[N@@H+]1CCCC2(CN(C(=O)CN3[C@H](C)CC[C@H]3C)C2)C1 ZINC000982161271 635893329 /nfs/dbraw/zinc/89/33/29/635893329.db2.gz MHWCQZRQIYWONW-IAGOWNOFSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)C[N@H+]1CCCC2(CN(C(=O)CN3[C@H](C)CC[C@H]3C)C2)C1 ZINC000982161271 635893332 /nfs/dbraw/zinc/89/33/32/635893332.db2.gz MHWCQZRQIYWONW-IAGOWNOFSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](CC3CC(C)(C)C3)CC2)C1 ZINC001003630336 636007730 /nfs/dbraw/zinc/00/77/30/636007730.db2.gz LNQWNIFKKZXXRD-OAHLLOKOSA-N 1 3 321.509 2.345 20 0 DEADHO COc1ccsc1CN[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922389469 636150531 /nfs/dbraw/zinc/15/05/31/636150531.db2.gz WFBZMIQWBZXUFC-KFZJALRRSA-N 1 3 324.490 2.326 20 0 DEADHO COc1ccsc1CN[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922389469 636150534 /nfs/dbraw/zinc/15/05/34/636150534.db2.gz WFBZMIQWBZXUFC-KFZJALRRSA-N 1 3 324.490 2.326 20 0 DEADHO Cc1ncsc1CN[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922387032 636152142 /nfs/dbraw/zinc/15/21/42/636152142.db2.gz JISMWDGMLGCZAA-XOUADPBQSA-N 1 3 309.479 2.021 20 0 DEADHO Cc1ncsc1CN[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922387032 636152144 /nfs/dbraw/zinc/15/21/44/636152144.db2.gz JISMWDGMLGCZAA-XOUADPBQSA-N 1 3 309.479 2.021 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)c1ccco1 ZINC000922424139 636166303 /nfs/dbraw/zinc/16/63/03/636166303.db2.gz LKJVGCHQKSHRDR-LJISPDSOSA-N 1 3 322.453 2.101 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C)c1ccco1 ZINC000922424139 636166306 /nfs/dbraw/zinc/16/63/06/636166306.db2.gz LKJVGCHQKSHRDR-LJISPDSOSA-N 1 3 322.453 2.101 20 0 DEADHO CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@]2(C)C1 ZINC000982623613 636316353 /nfs/dbraw/zinc/31/63/53/636316353.db2.gz IZNUEZIJLFZKNV-QRQLOZEOSA-N 1 3 321.509 2.440 20 0 DEADHO CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@]2(C)C1 ZINC000982623613 636316358 /nfs/dbraw/zinc/31/63/58/636316358.db2.gz IZNUEZIJLFZKNV-QRQLOZEOSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001028537850 636329691 /nfs/dbraw/zinc/32/96/91/636329691.db2.gz TXUJTELJIQDDAD-IAGOWNOFSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001028537850 636329696 /nfs/dbraw/zinc/32/96/96/636329696.db2.gz TXUJTELJIQDDAD-IAGOWNOFSA-N 1 3 307.482 2.264 20 0 DEADHO Cc1ccc(CC[NH2+]CCN2CCN(C)C(C)(C)C2)cc1C ZINC000894252857 636571658 /nfs/dbraw/zinc/57/16/58/636571658.db2.gz BSHBBKYJIIMCLB-UHFFFAOYSA-N 1 3 303.494 2.462 20 0 DEADHO CC(=O)NCCN(Cc1ccsc1)CC1CC[NH+](C)CC1 ZINC000894264746 636604319 /nfs/dbraw/zinc/60/43/19/636604319.db2.gz OYFIQSWPMYTTLX-UHFFFAOYSA-N 1 3 309.479 2.028 20 0 DEADHO Cn1nnc2c1C[C@H](NC1CC[NH+](C3CCCCC3)CC1)CC2 ZINC000922989987 636899454 /nfs/dbraw/zinc/89/94/54/636899454.db2.gz CKGPOZQTEDBVHD-OAHLLOKOSA-N 1 3 317.481 2.059 20 0 DEADHO Cn1nnc2c1C[C@H]([NH2+]C1CCN(C3CCCCC3)CC1)CC2 ZINC000922989987 636899459 /nfs/dbraw/zinc/89/94/59/636899459.db2.gz CKGPOZQTEDBVHD-OAHLLOKOSA-N 1 3 317.481 2.059 20 0 DEADHO CN(CCOc1cccc(Cl)c1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923302045 637100798 /nfs/dbraw/zinc/10/07/98/637100798.db2.gz PPUFYGBBGBVAIM-OAHLLOKOSA-N 1 3 310.825 2.029 20 0 DEADHO CCN(C[C@@H](O)COc1ccc(F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000923336018 637122261 /nfs/dbraw/zinc/12/22/61/637122261.db2.gz PKEMGSWCAFJPFM-HZPDHXFCSA-N 1 3 310.413 2.029 20 0 DEADHO COC(=O)c1cncc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000923390845 637152514 /nfs/dbraw/zinc/15/25/14/637152514.db2.gz WHJKUCHOPBCCGE-MRXNPFEDSA-N 1 3 317.433 2.080 20 0 DEADHO [NH3+]C[C@]12CCC[C@H]1CN(C[C@H](O)COc1ccccc1Cl)C2 ZINC000923387975 637155349 /nfs/dbraw/zinc/15/53/49/637155349.db2.gz PTEDSYBCAWJNMS-ZQIUZPCESA-N 1 3 324.852 2.141 20 0 DEADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000923421716 637169198 /nfs/dbraw/zinc/16/91/98/637169198.db2.gz NXOUIYNDZMBZCF-YUTCNCBUSA-N 1 3 316.367 2.324 20 0 DEADHO O[C@H](CCc1ccccc1)CN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000923426451 637172129 /nfs/dbraw/zinc/17/21/29/637172129.db2.gz DXLURUZAPGLFLD-MOPGFXCFSA-N 1 3 302.462 2.446 20 0 DEADHO COCCN(Cc1ccc(C)cc1C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923427854 637173312 /nfs/dbraw/zinc/17/33/12/637173312.db2.gz KYCRAPRDPLAZFR-GOSISDBHSA-N 1 3 318.461 2.130 20 0 DEADHO C[C@@H]1CN(C[C@@H](O)c2ccc(F)cc2Cl)CC[C@@H]1C[NH3+] ZINC000923492818 637210747 /nfs/dbraw/zinc/21/07/47/637210747.db2.gz POGZPYWWZDROQI-UEKVPHQBSA-N 1 3 300.805 2.429 20 0 DEADHO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N1CC[C@H](CC[NH3+])C1 ZINC000923492041 637210987 /nfs/dbraw/zinc/21/09/87/637210987.db2.gz MTQLJPXNFNYYIQ-KFWWJZLASA-N 1 3 301.434 2.023 20 0 DEADHO Cc1ccc([C@H](C)NC(=O)CN2CC[C@@H](C[NH3+])[C@H](C)C2)cc1C ZINC000923503425 637215469 /nfs/dbraw/zinc/21/54/69/637215469.db2.gz IBNFAOUQBQLZAQ-RYRKJORJSA-N 1 3 317.477 2.397 20 0 DEADHO C[C@@H]1CN([C@H]2CCN(c3cccc(Cl)c3)C2=O)CC[C@H]1C[NH3+] ZINC000923501042 637217866 /nfs/dbraw/zinc/21/78/66/637217866.db2.gz YUSDUVIMHULOQY-WWGRRREGSA-N 1 3 321.852 2.362 20 0 DEADHO CCc1ccccc1NC(=O)[C@H](C)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923501273 637218472 /nfs/dbraw/zinc/21/84/72/637218472.db2.gz YYZYFTGMKNZCOU-DZKIICNBSA-N 1 3 303.450 2.493 20 0 DEADHO CC(C)[C@H](NC(=O)CN1CC[C@@H](C[NH3+])[C@@H](C)C1)c1ccccc1 ZINC000923501554 637218751 /nfs/dbraw/zinc/21/87/51/637218751.db2.gz TUSYFARDOCJABM-IEZWGBDMSA-N 1 3 317.477 2.417 20 0 DEADHO CCOC(=O)c1ncc(CNCC[C@@H]2CCC[N@H+](C)C2)s1 ZINC000894861903 637270528 /nfs/dbraw/zinc/27/05/28/637270528.db2.gz YHDJQNMKFKBLDC-LBPRGKRZSA-N 1 3 311.451 2.141 20 0 DEADHO CCOC(=O)c1ncc(CNCC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000894861903 637270532 /nfs/dbraw/zinc/27/05/32/637270532.db2.gz YHDJQNMKFKBLDC-LBPRGKRZSA-N 1 3 311.451 2.141 20 0 DEADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNc1ccncc1CO ZINC000894866148 637273981 /nfs/dbraw/zinc/27/39/81/637273981.db2.gz SGTMCYIXBLCCKE-DOTOQJQBSA-N 1 3 311.429 2.176 20 0 DEADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNc1ccncc1CO ZINC000894866148 637273989 /nfs/dbraw/zinc/27/39/89/637273989.db2.gz SGTMCYIXBLCCKE-DOTOQJQBSA-N 1 3 311.429 2.176 20 0 DEADHO CC(C)[NH2+][C@H](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001029160277 637282049 /nfs/dbraw/zinc/28/20/49/637282049.db2.gz ULTDDJKBSRVALB-MRXNPFEDSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001029328978 637608474 /nfs/dbraw/zinc/60/84/74/637608474.db2.gz DZZZSTGOKLOPGO-FGTMMUONSA-N 1 3 319.493 2.336 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001029328978 637608476 /nfs/dbraw/zinc/60/84/76/637608476.db2.gz DZZZSTGOKLOPGO-FGTMMUONSA-N 1 3 319.493 2.336 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1)N(C)C ZINC001029346782 637632683 /nfs/dbraw/zinc/63/26/83/637632683.db2.gz AODSSHJNKNKEMK-KSZLIROESA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1)N(C)C ZINC001029346782 637632684 /nfs/dbraw/zinc/63/26/84/637632684.db2.gz AODSSHJNKNKEMK-KSZLIROESA-N 1 3 321.509 2.438 20 0 DEADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(OC[C@H]4CCCO4)cc3)C[C@H]12 ZINC000262187302 637829894 /nfs/dbraw/zinc/82/98/94/637829894.db2.gz XSOMNULXELTLAM-OQIJWPOYSA-N 1 3 316.445 2.414 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]CC[C@H](C)N(C)C)C1 ZINC000895294388 637894326 /nfs/dbraw/zinc/89/43/26/637894326.db2.gz PNUCZRUGHHDGLN-YNEHKIRRSA-N 1 3 306.397 2.283 20 0 DEADHO c1cn(C2CC2)c(CNCC2CC[NH+](C3CCOCC3)CC2)n1 ZINC000895309684 637912332 /nfs/dbraw/zinc/91/23/32/637912332.db2.gz PQTBXLVPCVWOON-UHFFFAOYSA-N 1 3 318.465 2.199 20 0 DEADHO CC(=O)OC[C@H](C)[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000895694453 638147568 /nfs/dbraw/zinc/14/75/68/638147568.db2.gz UXAROUGLMVXUEG-RLFYNMQTSA-N 1 3 304.434 2.296 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@@H]1NC1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000841059030 650417786 /nfs/dbraw/zinc/41/77/86/650417786.db2.gz JVQKAXSNTSOXJK-BEFAXECRSA-N 1 3 316.493 2.309 20 0 DEADHO C[C@H]1[NH2+]CCC[C@@H]1NC1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000841062715 650418815 /nfs/dbraw/zinc/41/88/15/650418815.db2.gz BIZVGHTUAUQFQN-BEFAXECRSA-N 1 3 316.493 2.452 20 0 DEADHO CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]CCCNC2CC2)C1 ZINC000841091114 650428882 /nfs/dbraw/zinc/42/88/82/650428882.db2.gz UNCSOGOXUZMAPA-AAEUAGOBSA-N 1 3 304.381 2.085 20 0 DEADHO CCCCCCN(C)CC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000748432513 638555201 /nfs/dbraw/zinc/55/52/01/638555201.db2.gz AUXBCDUCLQHEAO-MRXNPFEDSA-N 1 3 315.527 2.052 20 0 DEADHO COc1ccc([C@@H](NC(C)C)C(=O)NCC[NH2+]C(C)(C)C)cc1 ZINC000896507390 638556351 /nfs/dbraw/zinc/55/63/51/638556351.db2.gz WWWCABBGYHHMOD-MRXNPFEDSA-N 1 3 321.465 2.239 20 0 DEADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CC3CCC3)C2)C1 ZINC000984803828 638693355 /nfs/dbraw/zinc/69/33/55/638693355.db2.gz JUIYBXGITOLCER-WKILWMFISA-N 1 3 307.482 2.003 20 0 DEADHO O=C([C@@H]1CCC[C@@H]2CCC[N@@H+]21)N1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001029510227 639011870 /nfs/dbraw/zinc/01/18/70/639011870.db2.gz RGLVFKMFNJRWJK-BDXSIMOUSA-N 1 3 317.477 2.089 20 0 DEADHO O=C([C@@H]1CCC[C@@H]2CCC[N@H+]21)N1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001029510227 639011875 /nfs/dbraw/zinc/01/18/75/639011875.db2.gz RGLVFKMFNJRWJK-BDXSIMOUSA-N 1 3 317.477 2.089 20 0 DEADHO CC(C)N1CCN(C2CC[NH+](CCC(=O)C(C)(C)C)CC2)CC1 ZINC000753744448 639337029 /nfs/dbraw/zinc/33/70/29/639337029.db2.gz DBIKAKXVSQLGNZ-UHFFFAOYSA-N 1 3 323.525 2.482 20 0 DEADHO C[N@H+](CC1CCC1)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000985646799 639559873 /nfs/dbraw/zinc/55/98/73/639559873.db2.gz LIWPNGUGLXZYCU-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO C[N@@H+](CC1CCC1)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000985646799 639559878 /nfs/dbraw/zinc/55/98/78/639559878.db2.gz LIWPNGUGLXZYCU-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)N1CCC([N@H+](C)Cc2ccccc2)CC1)N(C)C ZINC000985655179 639566575 /nfs/dbraw/zinc/56/65/75/639566575.db2.gz FHIOFENVXRURAM-SFHVURJKSA-N 1 3 317.477 2.450 20 0 DEADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)Cc2ccccc2)CC1)N(C)C ZINC000985655179 639566578 /nfs/dbraw/zinc/56/65/78/639566578.db2.gz FHIOFENVXRURAM-SFHVURJKSA-N 1 3 317.477 2.450 20 0 DEADHO C[N@H+](Cc1ccsc1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985786393 639635202 /nfs/dbraw/zinc/63/52/02/639635202.db2.gz BFBFDYSJVZXGLZ-UHFFFAOYSA-N 1 3 321.490 2.267 20 0 DEADHO C[N@@H+](Cc1ccsc1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985786393 639635205 /nfs/dbraw/zinc/63/52/05/639635205.db2.gz BFBFDYSJVZXGLZ-UHFFFAOYSA-N 1 3 321.490 2.267 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C ZINC000987058979 640068220 /nfs/dbraw/zinc/06/82/20/640068220.db2.gz OGHTYOHKFBGMFQ-YOEHRIQHSA-N 1 3 312.417 2.040 20 0 DEADHO C[C@@H]1[C@H]([NH2+]CC2CCCC2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987256028 640143837 /nfs/dbraw/zinc/14/38/37/640143837.db2.gz RVSDOBCACVVBOM-SJLPKXTDSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1[C@@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)CN1CCCC1 ZINC000987531326 640213948 /nfs/dbraw/zinc/21/39/48/640213948.db2.gz MDRZTYITJZCNOL-WBVHZDCISA-N 1 3 319.493 2.242 20 0 DEADHO C[C@@H]1[C@H]([NH2+]CC2CCCCC2)CCN1C(=O)CN1CCCC1 ZINC000987534710 640214635 /nfs/dbraw/zinc/21/46/35/640214635.db2.gz WEYXQINMPMHHSW-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@](C)([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000841009398 640617339 /nfs/dbraw/zinc/61/73/39/640617339.db2.gz BXSKATOAVNQLJA-QAPCUYQASA-N 1 3 303.450 2.099 20 0 DEADHO CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]C2CCNCC2)C1 ZINC000841030696 640850983 /nfs/dbraw/zinc/85/09/83/640850983.db2.gz UGRDIRNZGIIUHX-WCQYABFASA-N 1 3 304.381 2.085 20 0 DEADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000766383161 640875956 /nfs/dbraw/zinc/87/59/56/640875956.db2.gz QPNSSYBRXLIASC-OLZOCXBDSA-N 1 3 324.856 2.384 20 0 DEADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NCC[N@H+]1CC[C@@H](C)C1 ZINC000766383161 640875961 /nfs/dbraw/zinc/87/59/61/640875961.db2.gz QPNSSYBRXLIASC-OLZOCXBDSA-N 1 3 324.856 2.384 20 0 DEADHO COC(=O)C[C@@H](Cc1ccccc1)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000898297060 641091731 /nfs/dbraw/zinc/09/17/31/641091731.db2.gz IQBHYKGFWWQLJW-USXIJHARSA-N 1 3 304.434 2.233 20 0 DEADHO COC(=O)C[C@@H](Cc1ccccc1)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000898297060 641091734 /nfs/dbraw/zinc/09/17/34/641091734.db2.gz IQBHYKGFWWQLJW-USXIJHARSA-N 1 3 304.434 2.233 20 0 DEADHO CCCCN1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000989739354 641216253 /nfs/dbraw/zinc/21/62/53/641216253.db2.gz SWLBMONIWJKFIX-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)cc1 ZINC000989800942 641230245 /nfs/dbraw/zinc/23/02/45/641230245.db2.gz WDLHACKRLXILAX-AEFFLSMTSA-N 1 3 315.461 2.170 20 0 DEADHO CCCN(C)CC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000730098584 641471468 /nfs/dbraw/zinc/47/14/68/641471468.db2.gz KCVWDWGHEWBXEF-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)C12CC[NH+](CC1)C2 ZINC000900106127 642265643 /nfs/dbraw/zinc/26/56/43/642265643.db2.gz CTYKACOCVZGLOT-QGZVFWFLSA-N 1 3 313.445 2.036 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccsc1 ZINC000900191742 642286628 /nfs/dbraw/zinc/28/66/28/642286628.db2.gz DVABQDRGWUIPPV-HNNXBMFYSA-N 1 3 321.490 2.343 20 0 DEADHO COc1ccc(NC(=O)[C@H]2CCCN2CC[C@H]2CC[NH2+]C2)cc1 ZINC000842472389 650747287 /nfs/dbraw/zinc/74/72/87/650747287.db2.gz XONMNELXBUMRTI-RHSMWYFYSA-N 1 3 317.433 2.098 20 0 DEADHO CN(CCCCCCC[NH3+])[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000842473169 650748140 /nfs/dbraw/zinc/74/81/40/650748140.db2.gz QJKMSLHXNMZIPT-GJZGRUSLSA-N 1 3 304.500 2.183 20 0 DEADHO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000900528522 642401212 /nfs/dbraw/zinc/40/12/12/642401212.db2.gz LTIINDPOCSHADK-INIZCTEOSA-N 1 3 314.433 2.457 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)N(C)C ZINC000900975969 642528967 /nfs/dbraw/zinc/52/89/67/642528967.db2.gz XCEKVMXNNVIUIQ-SZMVWBNQSA-N 1 3 317.477 2.496 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)N(C)C ZINC000900975969 642528971 /nfs/dbraw/zinc/52/89/71/642528971.db2.gz XCEKVMXNNVIUIQ-SZMVWBNQSA-N 1 3 317.477 2.496 20 0 DEADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccccc2NC)CC1 ZINC000902194345 642952734 /nfs/dbraw/zinc/95/27/34/642952734.db2.gz HQSGNYAVPBLWCW-INIZCTEOSA-N 1 3 304.482 2.092 20 0 DEADHO CC1(C)C[NH2+]CC[C@@H](N[C@@H]2CCCN(C(=O)N3CCCC3)C2)C1 ZINC000902384168 643024263 /nfs/dbraw/zinc/02/42/63/643024263.db2.gz IFDHYAXOARJBGC-HZPDHXFCSA-N 1 3 322.497 2.034 20 0 DEADHO CC(C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)N1CCOCC1 ZINC000903059334 643233593 /nfs/dbraw/zinc/23/35/93/643233593.db2.gz MKVUBUBTYLLQBN-ZCTYVAAUSA-N 1 3 321.509 2.091 20 0 DEADHO CC(C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)N1CCOCC1 ZINC000903059334 643233596 /nfs/dbraw/zinc/23/35/96/643233596.db2.gz MKVUBUBTYLLQBN-ZCTYVAAUSA-N 1 3 321.509 2.091 20 0 DEADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1ccc(Cl)s1)C2 ZINC000903492357 643369609 /nfs/dbraw/zinc/36/96/09/643369609.db2.gz NYFCBDCHDZUTFW-RBZYPMLTSA-N 1 3 314.838 2.114 20 0 DEADHO C[C@@H]1CN(Cc2nc(-c3ccc(F)cc3)no2)C[C@H]1CC[NH3+] ZINC000903496305 643371622 /nfs/dbraw/zinc/37/16/22/643371622.db2.gz JAANDRXWLUASHE-DGCLKSJQSA-N 1 3 304.369 2.292 20 0 DEADHO Cc1ccc(F)cc1NC(=O)[C@H](C)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903495891 643371769 /nfs/dbraw/zinc/37/17/69/643371769.db2.gz BHSADNCAXIOTKV-HZSPNIEDSA-N 1 3 307.413 2.378 20 0 DEADHO Cc1ccc(NC(=O)[C@@H](C)N2C[C@@H](C)[C@H](CC[NH3+])C2)cc1F ZINC000903496685 643372306 /nfs/dbraw/zinc/37/23/06/643372306.db2.gz YTUKIKHAKHUCRJ-MGPQQGTHSA-N 1 3 307.413 2.378 20 0 DEADHO C[C@@H]1CN(Cc2ccn(-c3cccc(F)c3)n2)C[C@H]1CC[NH3+] ZINC000903496976 643372871 /nfs/dbraw/zinc/37/28/71/643372871.db2.gz LSOIDHGSXOQTNC-ZIAGYGMSSA-N 1 3 302.397 2.428 20 0 DEADHO Fc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)cc1 ZINC000903511743 643373313 /nfs/dbraw/zinc/37/33/13/643373313.db2.gz XSHOUIFXEXYSPU-HDICACEKSA-N 1 3 303.425 2.226 20 0 DEADHO Fc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)cc1 ZINC000903511743 643373319 /nfs/dbraw/zinc/37/33/19/643373319.db2.gz XSHOUIFXEXYSPU-HDICACEKSA-N 1 3 303.425 2.226 20 0 DEADHO Clc1cccc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)n1 ZINC000903508866 643373458 /nfs/dbraw/zinc/37/34/58/643373458.db2.gz XTPCAMALAJELNM-IYBDPMFKSA-N 1 3 320.868 2.136 20 0 DEADHO COc1cccc(CN(C)C[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903718296 643437895 /nfs/dbraw/zinc/43/78/95/643437895.db2.gz KCKKOKRJRRTQCP-QGZVFWFLSA-N 1 3 304.434 2.286 20 0 DEADHO CC(C)[C@@H](C)NC(=O)C1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903725671 643440772 /nfs/dbraw/zinc/44/07/72/643440772.db2.gz FKDLWGAYKHSBBX-HZPDHXFCSA-N 1 3 309.498 2.249 20 0 DEADHO CC(C)[C@H](C)NC(=O)C1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903725672 643441170 /nfs/dbraw/zinc/44/11/70/643441170.db2.gz FKDLWGAYKHSBBX-JKSUJKDBSA-N 1 3 309.498 2.249 20 0 DEADHO c1cc([C@H]2CCCN2C[C@@H]2CC3(CO2)CC[NH2+]CC3)ccn1 ZINC000903753967 643450866 /nfs/dbraw/zinc/45/08/66/643450866.db2.gz ZMGMRDMGGXHVPA-DLBZAZTESA-N 1 3 301.434 2.377 20 0 DEADHO Cc1cc(C)nc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000903761378 643452466 /nfs/dbraw/zinc/45/24/66/643452466.db2.gz RADYJRRVWPXGFN-MSOLQXFVSA-N 1 3 303.450 2.417 20 0 DEADHO Cn1cc(-c2cc(CN3CCC(C(C)(C)C[NH3+])CC3)on2)cn1 ZINC000903790965 643456724 /nfs/dbraw/zinc/45/67/24/643456724.db2.gz KKIALWLLAVWPOK-UHFFFAOYSA-N 1 3 317.437 2.272 20 0 DEADHO Cc1cc(C)nc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1 ZINC000903784393 643461220 /nfs/dbraw/zinc/46/12/20/643461220.db2.gz NMNCNLUVHPREAQ-KDURUIRLSA-N 1 3 314.477 2.099 20 0 DEADHO [NH3+]CC1([C@@H]2CCCCN2C[C@H](O)COc2ccccc2)CCC1 ZINC000903810760 643470907 /nfs/dbraw/zinc/47/09/07/643470907.db2.gz GUXDMCITDULAGN-WMZOPIPTSA-N 1 3 318.461 2.410 20 0 DEADHO Cc1ccc(CN(C)C[C@@H](C[NH3+])Cc2cnn(C)c2C)s1 ZINC000903891619 643490969 /nfs/dbraw/zinc/49/09/69/643490969.db2.gz MIGXCPFCYMCXNS-CQSZACIVSA-N 1 3 306.479 2.348 20 0 DEADHO CC[N@H+](CCc1ccccc1)C[C@H](CN)Cc1cnn(C)c1C ZINC000903885631 643497396 /nfs/dbraw/zinc/49/73/96/643497396.db2.gz NUWIDGUVDGWYNF-SFHVURJKSA-N 1 3 314.477 2.411 20 0 DEADHO CC[N@@H+](CCc1ccccc1)C[C@H](CN)Cc1cnn(C)c1C ZINC000903885631 643497399 /nfs/dbraw/zinc/49/73/99/643497399.db2.gz NUWIDGUVDGWYNF-SFHVURJKSA-N 1 3 314.477 2.411 20 0 DEADHO CCCO[C@H]1CCCN(C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903893696 643498413 /nfs/dbraw/zinc/49/84/13/643498413.db2.gz YUEOWXOALZVXKU-AEFFLSMTSA-N 1 3 322.497 2.127 20 0 DEADHO CCCO[C@H]1CCC[N@H+](C[C@@H](CN)Cc2cnn(C)c2C)CC1 ZINC000903893696 643498415 /nfs/dbraw/zinc/49/84/15/643498415.db2.gz YUEOWXOALZVXKU-AEFFLSMTSA-N 1 3 322.497 2.127 20 0 DEADHO CCCO[C@H]1CCC[N@@H+](C[C@@H](CN)Cc2cnn(C)c2C)CC1 ZINC000903893696 643498418 /nfs/dbraw/zinc/49/84/18/643498418.db2.gz YUEOWXOALZVXKU-AEFFLSMTSA-N 1 3 322.497 2.127 20 0 DEADHO C[C@@H](NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cn(-c2ccccc2)nn1 ZINC000903922136 643509030 /nfs/dbraw/zinc/50/90/30/643509030.db2.gz VFSGEHWBOXPBDG-WZYMTQMTSA-N 1 3 311.433 2.449 20 0 DEADHO C[NH+]1CCC(CN2CCN(CCOc3ccccc3)CC2)CC1 ZINC000788473881 643614765 /nfs/dbraw/zinc/61/47/65/643614765.db2.gz LDWJEQPYWHXRCU-UHFFFAOYSA-N 1 3 317.477 2.025 20 0 DEADHO CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904309641 643632575 /nfs/dbraw/zinc/63/25/75/643632575.db2.gz NSAXYPVVLQRCFH-BETUJISGSA-N 1 3 300.406 2.283 20 0 DEADHO CCC[C@H](C)NC(=O)[C@@H]1CCCN(C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904316451 643633759 /nfs/dbraw/zinc/63/37/59/643633759.db2.gz MCAHXPMVSSRHEE-LZLYRXPVSA-N 1 3 309.498 2.393 20 0 DEADHO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1cnc(C3CC3)s1)CC2 ZINC000904392696 643652458 /nfs/dbraw/zinc/65/24/58/643652458.db2.gz XOWMNBHODWGMLQ-CYBMUJFWSA-N 1 3 307.463 2.350 20 0 DEADHO CC(C)[NH+]1CCC(NC[C@H](O)CC[C@@H](O)c2ccccc2)CC1 ZINC000905028939 643775673 /nfs/dbraw/zinc/77/56/73/643775673.db2.gz UYBFWQPDLJJIRH-RTBURBONSA-N 1 3 320.477 2.324 20 0 DEADHO CN1c2ccc(CN3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cc2CCC1=O ZINC000843059907 650880956 /nfs/dbraw/zinc/88/09/56/650880956.db2.gz UNIFKCDHHDVUAM-BBWFWOEESA-N 1 3 313.445 2.155 20 0 DEADHO CC1CCN(CCC[NH2+]C[C@@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC000905890802 644074360 /nfs/dbraw/zinc/07/43/60/644074360.db2.gz VOAOBGMMQBYUAZ-RBUKOAKNSA-N 1 3 320.477 2.183 20 0 DEADHO CCC[NH+]1CCC(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC000906474826 644263201 /nfs/dbraw/zinc/26/32/01/644263201.db2.gz ARQJENOCLRBRHH-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CN1CC[C@H]([NH2+]C2CCN(C[C@@H]3CCCO3)CC2)[C@@H]2CCC[C@H]21 ZINC000796765067 644790072 /nfs/dbraw/zinc/79/00/72/644790072.db2.gz WCNSVPMNSWSAHY-CADBVGFASA-N 1 3 321.509 2.092 20 0 DEADHO C[N@@H+]1CC[C@H](NCc2n[nH]c(-c3ccccc3)n2)[C@@H]2CCC[C@H]21 ZINC000796895204 644808796 /nfs/dbraw/zinc/80/87/96/644808796.db2.gz ACZLPQOJCCXZCR-HRCADAONSA-N 1 3 311.433 2.434 20 0 DEADHO C[N@H+]1CC[C@H](NCc2n[nH]c(-c3ccccc3)n2)[C@@H]2CCC[C@H]21 ZINC000796895204 644808801 /nfs/dbraw/zinc/80/88/01/644808801.db2.gz ACZLPQOJCCXZCR-HRCADAONSA-N 1 3 311.433 2.434 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)NC[C@H]2CCCCN2C)CC1 ZINC000911998644 645904318 /nfs/dbraw/zinc/90/43/18/645904318.db2.gz RCLSJVRPDARDPD-QGZVFWFLSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@H]([NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1)c1cnnn1C ZINC000924852498 646238726 /nfs/dbraw/zinc/23/87/26/646238726.db2.gz JZEFJANHDRJQPV-RDJZCZTQSA-N 1 3 313.449 2.378 20 0 DEADHO C[C@H]1CCCCN1CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810141555 646330979 /nfs/dbraw/zinc/33/09/79/646330979.db2.gz BITGTEDVOZIOJL-YOEHRIQHSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H]1CCCCN1CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810141555 646330981 /nfs/dbraw/zinc/33/09/81/646330981.db2.gz BITGTEDVOZIOJL-YOEHRIQHSA-N 1 3 313.461 2.190 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810379558 646358030 /nfs/dbraw/zinc/35/80/30/646358030.db2.gz ZVIFWIPSEPZPKZ-PBHICJAKSA-N 1 3 313.461 2.190 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810379558 646358035 /nfs/dbraw/zinc/35/80/35/646358035.db2.gz ZVIFWIPSEPZPKZ-PBHICJAKSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000811602283 646550142 /nfs/dbraw/zinc/55/01/42/646550142.db2.gz ZUSJTIREHPHSGJ-BBRMVZONSA-N 1 3 301.450 2.044 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000811602283 646550146 /nfs/dbraw/zinc/55/01/46/646550146.db2.gz ZUSJTIREHPHSGJ-BBRMVZONSA-N 1 3 301.450 2.044 20 0 DEADHO C[N@@H+]1CCC[C@]2(CCN(CC3CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000815143680 646979074 /nfs/dbraw/zinc/97/90/74/646979074.db2.gz CBUNSBROORMUDN-SFHVURJKSA-N 1 3 323.481 2.271 20 0 DEADHO C[N@H+]1CCC[C@]2(CCN(CC3CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000815143680 646979076 /nfs/dbraw/zinc/97/90/76/646979076.db2.gz CBUNSBROORMUDN-SFHVURJKSA-N 1 3 323.481 2.271 20 0 DEADHO CN(CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC3CC3)[C@H]2C1)C1CCC1 ZINC000992716800 647195044 /nfs/dbraw/zinc/19/50/44/647195044.db2.gz UHFYSYXWKHNLCE-SZMVWBNQSA-N 1 3 319.493 2.097 20 0 DEADHO CC(C)[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]21 ZINC000992820660 647280306 /nfs/dbraw/zinc/28/03/06/647280306.db2.gz UDWWTMFCKXGCTL-GVDBMIGSSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)Oc1ccc([C@H](O)CN[C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000817895081 647373976 /nfs/dbraw/zinc/37/39/76/647373976.db2.gz UTKHRYIGZQSVDV-JCGIZDLHSA-N 1 3 306.450 2.485 20 0 DEADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000817901246 647376910 /nfs/dbraw/zinc/37/69/10/647376910.db2.gz UMBOGENRDRMXEZ-QAPCUYQASA-N 1 3 321.428 2.315 20 0 DEADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000817901244 647377663 /nfs/dbraw/zinc/37/76/63/647377663.db2.gz UMBOGENRDRMXEZ-MAUKXSAKSA-N 1 3 321.428 2.315 20 0 DEADHO COc1ccc(OC)c([C@@H](O)C[N@H+](C)C[C@H]2CCCN(C)C2)c1 ZINC000741252602 647380634 /nfs/dbraw/zinc/38/06/34/647380634.db2.gz RHHAXWDNKMXHKO-YOEHRIQHSA-N 1 3 322.449 2.011 20 0 DEADHO COc1ccc(OC)c([C@@H](O)C[N@@H+](C)C[C@H]2CCCN(C)C2)c1 ZINC000741252602 647380636 /nfs/dbraw/zinc/38/06/36/647380636.db2.gz RHHAXWDNKMXHKO-YOEHRIQHSA-N 1 3 322.449 2.011 20 0 DEADHO C[C@H](CC(=O)Nc1cccnc1Cl)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000817948094 647390998 /nfs/dbraw/zinc/39/09/98/647390998.db2.gz VDKGRJYUUJMKNO-AGIUHOORSA-N 1 3 324.856 2.430 20 0 DEADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NC[C@]1(C)CCC[NH2+]C1 ZINC000817965404 647395821 /nfs/dbraw/zinc/39/58/21/647395821.db2.gz UITYCWALLDWAGM-BLLLJJGKSA-N 1 3 324.856 2.431 20 0 DEADHO CC(C)N1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001015603279 647492284 /nfs/dbraw/zinc/49/22/84/647492284.db2.gz QMLNCMMJIKDVBA-RDJZCZTQSA-N 1 3 307.482 2.382 20 0 DEADHO CC(C)N1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001015603279 647492285 /nfs/dbraw/zinc/49/22/85/647492285.db2.gz QMLNCMMJIKDVBA-RDJZCZTQSA-N 1 3 307.482 2.382 20 0 DEADHO NC(=O)c1cccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000820814530 647923898 /nfs/dbraw/zinc/92/38/98/647923898.db2.gz KTWPOZMFWWFUHP-ZNXRZULTSA-N 1 3 313.445 2.075 20 0 DEADHO NC(=O)c1cccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000820814530 647923899 /nfs/dbraw/zinc/92/38/99/647923899.db2.gz KTWPOZMFWWFUHP-ZNXRZULTSA-N 1 3 313.445 2.075 20 0 DEADHO Cc1nc(CN2CCC(C[NH2+][C@@H]3CCCN[C@H]3C)CC2)oc1C ZINC000925479515 648223202 /nfs/dbraw/zinc/22/32/02/648223202.db2.gz RQZJOUDMYTUOGH-WMLDXEAASA-N 1 3 320.481 2.234 20 0 DEADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCC1=CCCCC1 ZINC000939211177 648601699 /nfs/dbraw/zinc/60/16/99/648601699.db2.gz QTYVSEXHYKRNAZ-RHSMWYFYSA-N 1 3 316.449 2.279 20 0 DEADHO CCCN(C(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@H]1CCN(C)C1 ZINC000825848168 648817601 /nfs/dbraw/zinc/81/76/01/648817601.db2.gz YRLJYVCWYRHKMN-INIZCTEOSA-N 1 3 324.513 2.375 20 0 DEADHO CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C(C)(C)C1 ZINC000940746863 648933481 /nfs/dbraw/zinc/93/34/81/648933481.db2.gz CRECEQRSAJXRLV-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C(C)(C)C1 ZINC000940746863 648933484 /nfs/dbraw/zinc/93/34/84/648933484.db2.gz CRECEQRSAJXRLV-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1cc([C@H](N)CC(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc(Cl)n1 ZINC000828506395 649188117 /nfs/dbraw/zinc/18/81/17/649188117.db2.gz CCZHQHBBHDSTST-BXUZGUMPSA-N 1 3 324.856 2.032 20 0 DEADHO Cc1cc([C@H](N)CC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc(Cl)n1 ZINC000828506395 649188120 /nfs/dbraw/zinc/18/81/20/649188120.db2.gz CCZHQHBBHDSTST-BXUZGUMPSA-N 1 3 324.856 2.032 20 0 DEADHO C[S@@](=O)CCN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000828563527 649196061 /nfs/dbraw/zinc/19/60/61/649196061.db2.gz FETFZBYGTNCCNG-JOCHJYFZSA-N 1 3 320.502 2.353 20 0 DEADHO C[S@@](=O)CCN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000828563527 649196063 /nfs/dbraw/zinc/19/60/63/649196063.db2.gz FETFZBYGTNCCNG-JOCHJYFZSA-N 1 3 320.502 2.353 20 0 DEADHO CC[N@H+](CCNC(=O)N1CCN(C(C)(C)CC)CC1)C(C)C ZINC000847308257 651388248 /nfs/dbraw/zinc/38/82/48/651388248.db2.gz WDYRNMPSSUDOMO-UHFFFAOYSA-N 1 3 312.502 2.233 20 0 DEADHO CC[N@@H+](CCNC(=O)N1CCN(C(C)(C)CC)CC1)C(C)C ZINC000847308257 651388249 /nfs/dbraw/zinc/38/82/49/651388249.db2.gz WDYRNMPSSUDOMO-UHFFFAOYSA-N 1 3 312.502 2.233 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000854736376 651547465 /nfs/dbraw/zinc/54/74/65/651547465.db2.gz DKLNKTMTGFASBC-GOSISDBHSA-N 1 3 309.498 2.443 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000854736376 651547472 /nfs/dbraw/zinc/54/74/72/651547472.db2.gz DKLNKTMTGFASBC-GOSISDBHSA-N 1 3 309.498 2.443 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc2ccccc2n1 ZINC000848985151 651571574 /nfs/dbraw/zinc/57/15/74/651571574.db2.gz NXXDYOPUGLSTQI-INIZCTEOSA-N 1 3 311.433 2.333 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC2(CCCC2)O1 ZINC000849049349 651595184 /nfs/dbraw/zinc/59/51/84/651595184.db2.gz MYQNDRQNOVIIPX-CABCVRRESA-N 1 3 308.470 2.076 20 0 DEADHO C[N@H+](C[C@H]1CCN(Cc2ccccc2)C1)C[C@@H]1CCC(=O)O1 ZINC000851791641 652238900 /nfs/dbraw/zinc/23/89/00/652238900.db2.gz BSMILJMPMPZPLQ-SJORKVTESA-N 1 3 302.418 2.146 20 0 DEADHO C[N@@H+](C[C@H]1CCN(Cc2ccccc2)C1)C[C@@H]1CCC(=O)O1 ZINC000851791641 652238905 /nfs/dbraw/zinc/23/89/05/652238905.db2.gz BSMILJMPMPZPLQ-SJORKVTESA-N 1 3 302.418 2.146 20 0 DEADHO CCOC(=O)[C@]1(F)CN(CC[C@H]2CCC[NH2+]C2)CC12CCC2 ZINC000852754980 652450852 /nfs/dbraw/zinc/45/08/52/652450852.db2.gz RQPBSSJVBJBXDY-RHSMWYFYSA-N 1 3 312.429 2.133 20 0 DEADHO C[NH2+]C[C@@H](C)N[C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000854233247 652662860 /nfs/dbraw/zinc/66/28/60/652662860.db2.gz YEPKKDVHRGYFFQ-HUUCEWRRSA-N 1 3 305.422 2.237 20 0 DEADHO CCN(CC[NH2+]C(C)C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001392455267 1157052836 /nfs/dbraw/zinc/05/28/36/1157052836.db2.gz RUCAZDGLEGDUEY-MRXNPFEDSA-N 1 3 301.450 2.045 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC2CCC2)[C@@H](CC)C1 ZINC001392811634 1157431034 /nfs/dbraw/zinc/43/10/34/1157431034.db2.gz LDOMBWWHRMJTLU-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@@H](CNC(=O)[C@H]1CCCN1C(C)C)[NH2+]CC1CCC1 ZINC001374418032 1157848249 /nfs/dbraw/zinc/84/82/49/1157848249.db2.gz AXUMITVNGDVTHF-IAGOWNOFSA-N 1 3 309.498 2.390 20 0 DEADHO CC(C)[C@H](C(=O)N(C)CC[N@H+](C)CC1CC(F)(F)C1)N(C)C ZINC001374530516 1157890139 /nfs/dbraw/zinc/89/01/39/1157890139.db2.gz OOFSAQMMJZEOBA-CQSZACIVSA-N 1 3 319.440 2.008 20 0 DEADHO CC(C)[C@H](C(=O)N(C)CC[N@@H+](C)CC1CC(F)(F)C1)N(C)C ZINC001374530516 1157890140 /nfs/dbraw/zinc/89/01/40/1157890140.db2.gz OOFSAQMMJZEOBA-CQSZACIVSA-N 1 3 319.440 2.008 20 0 DEADHO CCOc1ccccc1NC(=O)CN(C)C1CCC([NH3+])CC1 ZINC000389124056 685432007 /nfs/dbraw/zinc/43/20/07/685432007.db2.gz VQLPPGLIXOCPSC-UHFFFAOYSA-N 1 3 305.422 2.226 20 0 DEADHO CC(C)(C)[NH2+]CCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000393770924 685453477 /nfs/dbraw/zinc/45/34/77/685453477.db2.gz HBQJLIAOICXHOJ-MRXNPFEDSA-N 1 3 303.450 2.155 20 0 DEADHO CC(C)N1Cc2ccc(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)cc2C1 ZINC001054281495 693913231 /nfs/dbraw/zinc/91/32/31/693913231.db2.gz NCAXSKBKWPBDCN-KBXCAEBGSA-N 1 3 315.461 2.225 20 0 DEADHO CC(C)N1Cc2ccc(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)cc2C1 ZINC001054281495 693913234 /nfs/dbraw/zinc/91/32/34/693913234.db2.gz NCAXSKBKWPBDCN-KBXCAEBGSA-N 1 3 315.461 2.225 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cc(F)ccc2N(C)C)CC1 ZINC000865414070 687203571 /nfs/dbraw/zinc/20/35/71/687203571.db2.gz IJGPHDSEIUFMRC-HNNXBMFYSA-N 1 3 322.472 2.007 20 0 DEADHO C[C@H](C[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)CN(C)C ZINC000865577853 687265547 /nfs/dbraw/zinc/26/55/47/687265547.db2.gz PUPYLEACOBPCDV-OAHLLOKOSA-N 1 3 303.450 2.210 20 0 DEADHO C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000866270795 687516168 /nfs/dbraw/zinc/51/61/68/687516168.db2.gz VPQCDNQALPGWQR-CXAGYDPISA-N 1 3 306.425 2.495 20 0 DEADHO CC(C)C[NH+]1CCC2(C[C@H]2NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001016829631 687711656 /nfs/dbraw/zinc/71/16/56/687711656.db2.gz MHOHRVOMYNUXMX-JKSUJKDBSA-N 1 3 307.482 2.097 20 0 DEADHO CC1CCN(CC(=O)N2CCC[C@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC001017240320 687839338 /nfs/dbraw/zinc/83/93/38/687839338.db2.gz NCYWMTFBVJFGPC-GOSISDBHSA-N 1 3 321.509 2.299 20 0 DEADHO CC1CCN(CC(=O)N2CCC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC001017240320 687839342 /nfs/dbraw/zinc/83/93/42/687839342.db2.gz NCYWMTFBVJFGPC-GOSISDBHSA-N 1 3 321.509 2.299 20 0 DEADHO CC[C@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001017572039 687915161 /nfs/dbraw/zinc/91/51/61/687915161.db2.gz RWFSQJHXBKJOPE-IECFSIQFSA-N 1 3 321.509 2.438 20 0 DEADHO CC[C@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001017572039 687915167 /nfs/dbraw/zinc/91/51/67/687915167.db2.gz RWFSQJHXBKJOPE-IECFSIQFSA-N 1 3 321.509 2.438 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001018637132 688191573 /nfs/dbraw/zinc/19/15/73/688191573.db2.gz XKZLIBCPHNVXSE-DLBZAZTESA-N 1 3 307.482 2.242 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]CC3CCCCC3)C2)CCC1 ZINC001018962735 688262768 /nfs/dbraw/zinc/26/27/68/688262768.db2.gz KCPYENRSMYFQHZ-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001019342853 688333808 /nfs/dbraw/zinc/33/38/08/688333808.db2.gz LDOPVZHIABWKNY-DLBZAZTESA-N 1 3 321.509 2.343 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]([NH2+]CC2CCC2)C1 ZINC001019812366 688413497 /nfs/dbraw/zinc/41/34/97/688413497.db2.gz LOPGOKMRAJDQQM-KRWDZBQOSA-N 1 3 315.461 2.352 20 0 DEADHO COc1ccc2c(c1)C[C@@H](C[N@@H+]1CCC[C@]3(CCN(C)C3)C1)O2 ZINC000930601380 694198264 /nfs/dbraw/zinc/19/82/64/694198264.db2.gz HEUFOJDZUKNSKC-PKOBYXMFSA-N 1 3 316.445 2.416 20 0 DEADHO COc1ccc2c(c1)C[C@@H](C[N@H+]1CCC[C@]3(CCN(C)C3)C1)O2 ZINC000930601380 694198267 /nfs/dbraw/zinc/19/82/67/694198267.db2.gz HEUFOJDZUKNSKC-PKOBYXMFSA-N 1 3 316.445 2.416 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CCCC2)C1 ZINC001029674684 688564177 /nfs/dbraw/zinc/56/41/77/688564177.db2.gz IJRICZJULMUACK-SJORKVTESA-N 1 3 307.482 2.051 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001029674684 688564180 /nfs/dbraw/zinc/56/41/80/688564180.db2.gz IJRICZJULMUACK-SJORKVTESA-N 1 3 307.482 2.051 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H](C[N@H+](C)CC3CCCC3)C2)CCC1 ZINC001029753406 688572013 /nfs/dbraw/zinc/57/20/13/688572013.db2.gz FUSRRBVZKRIAIY-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H](C[N@@H+](C)CC3CCCC3)C2)CCC1 ZINC001029753406 688572018 /nfs/dbraw/zinc/57/20/18/688572018.db2.gz FUSRRBVZKRIAIY-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO [NH3+][C@H]1CC[C@@H](C(=O)N2CCN(CC3CCCCC3)CC2)CC1 ZINC000870874646 688674952 /nfs/dbraw/zinc/67/49/52/688674952.db2.gz IDZWBLRYHGBZFX-CALCHBBNSA-N 1 3 307.482 2.228 20 0 DEADHO CC1CCC(CN2CC(NC(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001030532174 688707675 /nfs/dbraw/zinc/70/76/75/688707675.db2.gz HOTVTVZSYIAMIM-VMBOVVBDSA-N 1 3 307.482 2.097 20 0 DEADHO CC1CCC(CN2CC(NC(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001030532174 688707679 /nfs/dbraw/zinc/70/76/79/688707679.db2.gz HOTVTVZSYIAMIM-VMBOVVBDSA-N 1 3 307.482 2.097 20 0 DEADHO CCN1CCC([N@@H+]2CCCN(C/C=C(/C)COC)CC2)CC1 ZINC000930749907 694232379 /nfs/dbraw/zinc/23/23/79/694232379.db2.gz JQGNYVPMVBNRES-FMQZQXMHSA-N 1 3 309.498 2.071 20 0 DEADHO CCN1CCC([N@H+]2CCCN(C/C=C(/C)COC)CC2)CC1 ZINC000930749907 694232384 /nfs/dbraw/zinc/23/23/84/694232384.db2.gz JQGNYVPMVBNRES-FMQZQXMHSA-N 1 3 309.498 2.071 20 0 DEADHO C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccc([O-])c1F ZINC000872036259 688917659 /nfs/dbraw/zinc/91/76/59/688917659.db2.gz QQYLWQJANJMGQW-ZIAGYGMSSA-N 1 3 310.413 2.419 20 0 DEADHO C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc([O-])c1F ZINC000872036259 688917660 /nfs/dbraw/zinc/91/76/60/688917660.db2.gz QQYLWQJANJMGQW-ZIAGYGMSSA-N 1 3 310.413 2.419 20 0 DEADHO C[C@@H](C(=O)NCc1ccc(F)cc1)N(C)CCCCCC[NH3+] ZINC000872155683 688940519 /nfs/dbraw/zinc/94/05/19/688940519.db2.gz YLPYUKCUEVXJNM-AWEZNQCLSA-N 1 3 309.429 2.281 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCC1C[NH+](CCC2CCCC2)C1 ZINC001031666332 688976698 /nfs/dbraw/zinc/97/66/98/688976698.db2.gz MOFMJMBPVOUHRO-GOSISDBHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)=CCN1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001032026327 689044851 /nfs/dbraw/zinc/04/48/51/689044851.db2.gz CEVUPOSCRHLMBL-KRWDZBQOSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)=CCN1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001032026327 689044853 /nfs/dbraw/zinc/04/48/53/689044853.db2.gz CEVUPOSCRHLMBL-KRWDZBQOSA-N 1 3 307.482 2.264 20 0 DEADHO C[C@H](NC[C@H]1C[C@@H]([NH3+])C1)c1ncc(Br)cc1F ZINC000873248842 689193801 /nfs/dbraw/zinc/19/38/01/689193801.db2.gz FIXYKBUQXUCMEG-OYNCUSHFSA-N 1 3 302.191 2.371 20 0 DEADHO c1cnc2c(c1)CCC[C@H]2NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873293399 689203905 /nfs/dbraw/zinc/20/39/05/689203905.db2.gz LVQXWBMMIFXHAE-HZPDHXFCSA-N 1 3 301.434 2.207 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC(C)(C)C)C1 ZINC001032627708 689206323 /nfs/dbraw/zinc/20/63/23/689206323.db2.gz GFSMIDKFXFGJSM-PMPSAXMXSA-N 1 3 307.482 2.050 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC(C)(C)C)C1 ZINC001032627708 689206327 /nfs/dbraw/zinc/20/63/27/689206327.db2.gz GFSMIDKFXFGJSM-PMPSAXMXSA-N 1 3 307.482 2.050 20 0 DEADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CCCCC2)C1 ZINC001032627914 689206411 /nfs/dbraw/zinc/20/64/11/689206411.db2.gz MLCDQKWLZILNDJ-SZMVWBNQSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CCCCC2)C1 ZINC001032627914 689206412 /nfs/dbraw/zinc/20/64/12/689206412.db2.gz MLCDQKWLZILNDJ-SZMVWBNQSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC1 ZINC001032664215 689217336 /nfs/dbraw/zinc/21/73/36/689217336.db2.gz WCVIWRUSHCXAGI-OKZBNKHCSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC1 ZINC001032664215 689217338 /nfs/dbraw/zinc/21/73/38/689217338.db2.gz WCVIWRUSHCXAGI-OKZBNKHCSA-N 1 3 319.493 2.335 20 0 DEADHO CCN1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033365521 689477748 /nfs/dbraw/zinc/47/77/48/689477748.db2.gz OIPIGCKYTBSHCO-DLBZAZTESA-N 1 3 307.482 2.336 20 0 DEADHO CCN1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033365521 689477751 /nfs/dbraw/zinc/47/77/51/689477751.db2.gz OIPIGCKYTBSHCO-DLBZAZTESA-N 1 3 307.482 2.336 20 0 DEADHO CN(C)C[C@H]1CC[N@H+](CC23CC(C2)CN3C(=O)OC(C)(C)C)C1 ZINC000876730656 689918274 /nfs/dbraw/zinc/91/82/74/689918274.db2.gz IYQUFHRLNNZUCW-KSTDHSDQSA-N 1 3 323.481 2.269 20 0 DEADHO CN(C)C[C@H]1CC[N@@H+](CC23CC(C2)CN3C(=O)OC(C)(C)C)C1 ZINC000876730656 689918276 /nfs/dbraw/zinc/91/82/76/689918276.db2.gz IYQUFHRLNNZUCW-KSTDHSDQSA-N 1 3 323.481 2.269 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)CC1 ZINC000876732836 689920090 /nfs/dbraw/zinc/92/00/90/689920090.db2.gz HOZHFAFHMFCHRX-MOEXGYKKSA-N 1 3 307.482 2.123 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)CN1Cc1ccccc1 ZINC000876777626 689934010 /nfs/dbraw/zinc/93/40/10/689934010.db2.gz SOVOYPNKLMKGCK-IWCQGFGOSA-N 1 3 315.461 2.139 20 0 DEADHO C[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCF)CC1)N1CCCCCC1 ZINC001034749125 689939913 /nfs/dbraw/zinc/93/99/13/689939913.db2.gz HBZSBWOCIPMKMF-BZUAXINKSA-N 1 3 313.461 2.237 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876883445 689963581 /nfs/dbraw/zinc/96/35/81/689963581.db2.gz BWHLTFBJSJRMEO-ZPIQOJFGSA-N 1 3 321.490 2.194 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1)C1CC1 ZINC001034959856 689998704 /nfs/dbraw/zinc/99/87/04/689998704.db2.gz GRGZBDMYJLEZNI-QZTJIDSGSA-N 1 3 315.461 2.107 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCC1)C1CC1 ZINC001034959910 689999883 /nfs/dbraw/zinc/99/98/83/689999883.db2.gz ISMROSUZCRZHJC-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2)C1 ZINC001035048886 690021039 /nfs/dbraw/zinc/02/10/39/690021039.db2.gz JAXVGVPBBDKUGG-SJLPKXTDSA-N 1 3 315.461 2.109 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1)N(C)C ZINC001035052354 690022141 /nfs/dbraw/zinc/02/21/41/690022141.db2.gz LJPORYUBODUXEB-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCCCCN(C)CC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000877140328 690027462 /nfs/dbraw/zinc/02/74/62/690027462.db2.gz RKEHJOISEMLBPK-UHFFFAOYSA-N 1 3 317.477 2.461 20 0 DEADHO CC(C)[NH+]1CCC(CCNC(=O)C2(N)CC3(CCC3)C2)CC1 ZINC000877200582 690043787 /nfs/dbraw/zinc/04/37/87/690043787.db2.gz MGMIPSMBRVBRET-UHFFFAOYSA-N 1 3 307.482 2.275 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)CCCCC[NH3+])C2)cc1 ZINC000877221042 690048987 /nfs/dbraw/zinc/04/89/87/690048987.db2.gz MRJUZIMZYFWJKD-KRWDZBQOSA-N 1 3 303.450 2.205 20 0 DEADHO CC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)(C)C1)CC2 ZINC001035226187 690066022 /nfs/dbraw/zinc/06/60/22/690066022.db2.gz DPOYRGRFXUKVSA-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO CC[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)(C)C1)CC2 ZINC001035226187 690066025 /nfs/dbraw/zinc/06/60/25/690066025.db2.gz DPOYRGRFXUKVSA-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO Cc1ccc([C@@H](O)[C@H](C)NC2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000877516804 690137268 /nfs/dbraw/zinc/13/72/68/690137268.db2.gz IKZJSWOUVMERQX-YJBOKZPZSA-N 1 3 320.477 2.242 20 0 DEADHO COc1c(C)cnc(CN[C@@H](C)CN(C)CCC[NH+](C)C)c1C ZINC000877622780 690170750 /nfs/dbraw/zinc/17/07/50/690170750.db2.gz CJGRPRVNRAUGRS-HNNXBMFYSA-N 1 3 322.497 2.069 20 0 DEADHO CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)CN1CC[C@@H](C)C1)CC2 ZINC001035794497 690178114 /nfs/dbraw/zinc/17/81/14/690178114.db2.gz DKFDUENOFVIWOR-DLBZAZTESA-N 1 3 321.509 2.299 20 0 DEADHO C[C@H]1CCCN(C(=O)CN(C)C2CCC2)[C@H]1C[NH2+]CC1CC1 ZINC001036556922 690385624 /nfs/dbraw/zinc/38/56/24/690385624.db2.gz UFZDBSYLNVCTPI-YOEHRIQHSA-N 1 3 307.482 2.097 20 0 DEADHO CCCC[N@@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820877 690485564 /nfs/dbraw/zinc/48/55/64/690485564.db2.gz QDNOJKUAFXOPHJ-IRXDYDNUSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820877 690485565 /nfs/dbraw/zinc/48/55/65/690485565.db2.gz QDNOJKUAFXOPHJ-IRXDYDNUSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)(C)CC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001036830489 690490509 /nfs/dbraw/zinc/49/05/09/690490509.db2.gz WCRGGXIPGOIBQU-HOCLYGCPSA-N 1 3 318.465 2.311 20 0 DEADHO CC(C)(C)CC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001036830489 690490511 /nfs/dbraw/zinc/49/05/11/690490511.db2.gz WCRGGXIPGOIBQU-HOCLYGCPSA-N 1 3 318.465 2.311 20 0 DEADHO C[C@@H](C(=O)N1CCC(C)CC1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248621 690602445 /nfs/dbraw/zinc/60/24/45/690602445.db2.gz RGCWLDSSAFILTJ-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1[NH2+]C(C)C ZINC001037924792 690641462 /nfs/dbraw/zinc/64/14/62/690641462.db2.gz BJODJJSPYDUXRW-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038250340 690758730 /nfs/dbraw/zinc/75/87/30/690758730.db2.gz ZWLQQBVPPZQTFQ-NVXWUHKLSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038250340 690758732 /nfs/dbraw/zinc/75/87/32/690758732.db2.gz ZWLQQBVPPZQTFQ-NVXWUHKLSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2CCCC2CCCC2)CC[N@@H+]1C ZINC001038265327 690761785 /nfs/dbraw/zinc/76/17/85/690761785.db2.gz ISGUFKCHAIEALE-KBAYOESNSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2CCCC2CCCC2)CC[N@H+]1C ZINC001038265327 690761789 /nfs/dbraw/zinc/76/17/89/690761789.db2.gz ISGUFKCHAIEALE-KBAYOESNSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001038327885 690783805 /nfs/dbraw/zinc/78/38/05/690783805.db2.gz KIEJLZWYIWEOQC-SJORKVTESA-N 1 3 321.509 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001038327885 690783808 /nfs/dbraw/zinc/78/38/08/690783808.db2.gz KIEJLZWYIWEOQC-SJORKVTESA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1CC1CCCC1 ZINC001038444355 690825189 /nfs/dbraw/zinc/82/51/89/690825189.db2.gz MBJCLFIUJLYLCV-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1CC1CCCC1 ZINC001038444355 690825192 /nfs/dbraw/zinc/82/51/92/690825192.db2.gz MBJCLFIUJLYLCV-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)[C@H]1CCCOC1 ZINC000880471855 690906490 /nfs/dbraw/zinc/90/64/90/690906490.db2.gz WNKCHIHZGRNIMX-ZWKOTPCHSA-N 1 3 311.514 2.197 20 0 DEADHO C[NH+](C)CC1(O)CCN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC1 ZINC000931478778 694408068 /nfs/dbraw/zinc/40/80/68/694408068.db2.gz FFCNLRSVFVSLDS-HZPDHXFCSA-N 1 3 324.415 2.424 20 0 DEADHO CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001039137700 691030576 /nfs/dbraw/zinc/03/05/76/691030576.db2.gz PXSWQVHEPILSEI-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1CC[C@@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001039137700 691030579 /nfs/dbraw/zinc/03/05/79/691030579.db2.gz PXSWQVHEPILSEI-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCC[C@@H]1C ZINC001039298288 691076719 /nfs/dbraw/zinc/07/67/19/691076719.db2.gz UGZVOTMEILOQPX-XYTVBORESA-N 1 3 307.482 2.381 20 0 DEADHO C[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CCC2)CC1 ZINC001039891482 691160614 /nfs/dbraw/zinc/16/06/14/691160614.db2.gz KVTDHDHNFFJZGV-HDICACEKSA-N 1 3 319.493 2.194 20 0 DEADHO CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001040396510 691242511 /nfs/dbraw/zinc/24/25/11/691242511.db2.gz UPYLOHDSXLMNCB-MJGOQNOKSA-N 1 3 321.509 2.443 20 0 DEADHO CCCC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001040396510 691242512 /nfs/dbraw/zinc/24/25/12/691242512.db2.gz UPYLOHDSXLMNCB-MJGOQNOKSA-N 1 3 321.509 2.443 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC2(C1)CC[NH+](CC1CC1)CC2)C1CC1 ZINC001040727111 691283124 /nfs/dbraw/zinc/28/31/24/691283124.db2.gz ORZMGLGYKPXQOM-QGZVFWFLSA-N 1 3 319.493 2.051 20 0 DEADHO CCCC[NH+]1CCC2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001040847976 691292588 /nfs/dbraw/zinc/29/25/88/691292588.db2.gz DGSBXMASTOCITR-QGZVFWFLSA-N 1 3 321.509 2.443 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041352777 691365380 /nfs/dbraw/zinc/36/53/80/691365380.db2.gz BOGGFGYFKBYYJU-GOSISDBHSA-N 1 3 319.493 2.361 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041352777 691365383 /nfs/dbraw/zinc/36/53/83/691365383.db2.gz BOGGFGYFKBYYJU-GOSISDBHSA-N 1 3 319.493 2.361 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@]3(CC[N@H+](CC4CCC4)C3)C2)CCC1 ZINC001041353088 691365912 /nfs/dbraw/zinc/36/59/12/691365912.db2.gz FSQMWGYOYMJLLH-SFHVURJKSA-N 1 3 319.493 2.195 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@]3(CC[N@@H+](CC4CCC4)C3)C2)CCC1 ZINC001041353088 691365914 /nfs/dbraw/zinc/36/59/14/691365914.db2.gz FSQMWGYOYMJLLH-SFHVURJKSA-N 1 3 319.493 2.195 20 0 DEADHO CN(CC(=O)N1CC[C@]2(CC[N@H+](CCC3CC3)C2)C1)C1CCC1 ZINC001041359213 691367086 /nfs/dbraw/zinc/36/70/86/691367086.db2.gz UJJBUOJXMJWXRF-IBGZPJMESA-N 1 3 319.493 2.195 20 0 DEADHO CN(CC(=O)N1CC[C@]2(CC[N@@H+](CCC3CC3)C2)C1)C1CCC1 ZINC001041359213 691367090 /nfs/dbraw/zinc/36/70/90/691367090.db2.gz UJJBUOJXMJWXRF-IBGZPJMESA-N 1 3 319.493 2.195 20 0 DEADHO CC(C)[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001041672248 691407826 /nfs/dbraw/zinc/40/78/26/691407826.db2.gz PMXIJCTWCBGWGI-GOSISDBHSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001041672248 691407828 /nfs/dbraw/zinc/40/78/28/691407828.db2.gz PMXIJCTWCBGWGI-GOSISDBHSA-N 1 3 307.482 2.051 20 0 DEADHO CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001041673590 691408862 /nfs/dbraw/zinc/40/88/62/691408862.db2.gz YNXAQKSBZKNIJF-LJQANCHMSA-N 1 3 321.509 2.443 20 0 DEADHO CCCC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001041673590 691408867 /nfs/dbraw/zinc/40/88/67/691408867.db2.gz YNXAQKSBZKNIJF-LJQANCHMSA-N 1 3 321.509 2.443 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001041846016 691444036 /nfs/dbraw/zinc/44/40/36/691444036.db2.gz VDIIOECIVIZEAE-AEFFLSMTSA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[N@H+](C(C)C)C2)C1 ZINC001041846016 691444038 /nfs/dbraw/zinc/44/40/38/691444038.db2.gz VDIIOECIVIZEAE-AEFFLSMTSA-N 1 3 307.482 2.194 20 0 DEADHO COC(=O)c1ccc(OC)c(CN2CCC[C@H](CC[NH3+])C2)c1 ZINC000883427092 691505958 /nfs/dbraw/zinc/50/59/58/691505958.db2.gz IFOHYMWUDVCTGO-CYBMUJFWSA-N 1 3 306.406 2.043 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@@H]([NH3+])CC2CC2)N(C)C)cc1 ZINC000884178051 691675011 /nfs/dbraw/zinc/67/50/11/691675011.db2.gz BLILZGIZWYOHQL-IRXDYDNUSA-N 1 3 303.450 2.095 20 0 DEADHO [NH3+][C@H](CC1CC1)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000884178912 691675678 /nfs/dbraw/zinc/67/56/78/691675678.db2.gz YKUYHUDBNPSMSK-KGLIPLIRSA-N 1 3 307.463 2.129 20 0 DEADHO [NH3+][C@H](CC1CC1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000884189498 691678120 /nfs/dbraw/zinc/67/81/20/691678120.db2.gz HDQCAUFXZJDEDK-SJORKVTESA-N 1 3 301.434 2.067 20 0 DEADHO N[C@H](CC1CC1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000884189498 691678123 /nfs/dbraw/zinc/67/81/23/691678123.db2.gz HDQCAUFXZJDEDK-SJORKVTESA-N 1 3 301.434 2.067 20 0 DEADHO COCC[C@@H](N)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000884197673 691680035 /nfs/dbraw/zinc/68/00/35/691680035.db2.gz BFFRIAVNBWGNJJ-QGZVFWFLSA-N 1 3 319.449 2.017 20 0 DEADHO COCC[C@H](N)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000884205196 691682308 /nfs/dbraw/zinc/68/23/08/691682308.db2.gz PQHUZKQILSRHOV-KRWDZBQOSA-N 1 3 319.449 2.365 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CC3CCC3)C[C@H]2C)CC1 ZINC001044790126 691887341 /nfs/dbraw/zinc/88/73/41/691887341.db2.gz BPIFCGVPMULSEG-AEFFLSMTSA-N 1 3 321.509 2.488 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CC3CC3)C[C@H]2C)CC1 ZINC001044790466 691887831 /nfs/dbraw/zinc/88/78/31/691887831.db2.gz CGCGHKVRCHKARJ-WBVHZDCISA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001045067149 691934918 /nfs/dbraw/zinc/93/49/18/691934918.db2.gz HDSWBAAYUPHVIS-DLBZAZTESA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[NH2+]C[C@@H]1CCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001045200357 691951587 /nfs/dbraw/zinc/95/15/87/691951587.db2.gz VVRUOEMRWNXXIU-WMLDXEAASA-N 1 3 313.461 2.188 20 0 DEADHO CC1CCC(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCCC2)CC1 ZINC001045311686 691962143 /nfs/dbraw/zinc/96/21/43/691962143.db2.gz OIIUSHHMJGSYRE-ABHNRTSZSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001045321898 691963263 /nfs/dbraw/zinc/96/32/63/691963263.db2.gz OGSHHDQTYUKXDY-KRWDZBQOSA-N 1 3 303.450 2.351 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)NC2(C)CCN(Cc3ccsc3)CC2)C1 ZINC001045639400 692008914 /nfs/dbraw/zinc/00/89/14/692008914.db2.gz KAIVEHFQEPZZEP-OAHLLOKOSA-N 1 3 321.490 2.171 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)NC2(C)CCN(Cc3ccsc3)CC2)C1 ZINC001045639400 692008916 /nfs/dbraw/zinc/00/89/16/692008916.db2.gz KAIVEHFQEPZZEP-OAHLLOKOSA-N 1 3 321.490 2.171 20 0 DEADHO CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1c[nH]cn1 ZINC001045878552 692039991 /nfs/dbraw/zinc/03/99/91/692039991.db2.gz AZQQECMUSZJIOV-CABCVRRESA-N 1 3 316.449 2.163 20 0 DEADHO CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1c[nH]cn1 ZINC001045878552 692039994 /nfs/dbraw/zinc/03/99/94/692039994.db2.gz AZQQECMUSZJIOV-CABCVRRESA-N 1 3 316.449 2.163 20 0 DEADHO CC(C)[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045942878 692059363 /nfs/dbraw/zinc/05/93/63/692059363.db2.gz BWVDUAXWGXJVSM-PKOBYXMFSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045942878 692059365 /nfs/dbraw/zinc/05/93/65/692059365.db2.gz BWVDUAXWGXJVSM-PKOBYXMFSA-N 1 3 321.509 2.440 20 0 DEADHO [NH3+][C@H]1CCO[C@@H](C2CCN(CCSC(F)(F)F)CC2)C1 ZINC000886840224 692207767 /nfs/dbraw/zinc/20/77/67/692207767.db2.gz XDTIOKMVYUMVGM-NWDGAFQWSA-N 1 3 312.401 2.458 20 0 DEADHO CC(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001049097717 692764321 /nfs/dbraw/zinc/76/43/21/692764321.db2.gz PUAYBRAMAOLATD-FGTMMUONSA-N 1 3 321.509 2.296 20 0 DEADHO CC(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001049097717 692764324 /nfs/dbraw/zinc/76/43/24/692764324.db2.gz PUAYBRAMAOLATD-FGTMMUONSA-N 1 3 321.509 2.296 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CC1 ZINC001049508548 692904426 /nfs/dbraw/zinc/90/44/26/692904426.db2.gz QFLLBEGHIYBDLL-OKZBNKHCSA-N 1 3 319.493 2.336 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CC1 ZINC001049508548 692904429 /nfs/dbraw/zinc/90/44/29/692904429.db2.gz QFLLBEGHIYBDLL-OKZBNKHCSA-N 1 3 319.493 2.336 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCC1)N(C)C ZINC001049534601 692914758 /nfs/dbraw/zinc/91/47/58/692914758.db2.gz WNXADYCKCLLYQB-BZSNNMDCSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CCC1)N(C)C ZINC001049534601 692914762 /nfs/dbraw/zinc/91/47/62/692914762.db2.gz WNXADYCKCLLYQB-BZSNNMDCSA-N 1 3 321.509 2.438 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049628757 692945019 /nfs/dbraw/zinc/94/50/19/692945019.db2.gz IOCFVIWCSYSYPJ-HZPDHXFCSA-N 1 3 307.482 2.336 20 0 DEADHO CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049628757 692945023 /nfs/dbraw/zinc/94/50/23/692945023.db2.gz IOCFVIWCSYSYPJ-HZPDHXFCSA-N 1 3 307.482 2.336 20 0 DEADHO CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049845631 693019744 /nfs/dbraw/zinc/01/97/44/693019744.db2.gz BDYLEXWHEWUXMM-KBPBESRZSA-N 1 3 304.438 2.163 20 0 DEADHO CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049845631 693019748 /nfs/dbraw/zinc/01/97/48/693019748.db2.gz BDYLEXWHEWUXMM-KBPBESRZSA-N 1 3 304.438 2.163 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1 ZINC001050389233 693169634 /nfs/dbraw/zinc/16/96/34/693169634.db2.gz PKHGZTPAYLDPNR-WKILWMFISA-N 1 3 318.465 2.325 20 0 DEADHO CN(C)[C@H](CNC1[C@@H]2CC[C@H]1C[N@@H+](C)C2)c1ccc(F)cc1 ZINC000924716192 693176219 /nfs/dbraw/zinc/17/62/19/693176219.db2.gz DBPCPABVVZKMOC-FZBAJKBMSA-N 1 3 305.441 2.358 20 0 DEADHO CN(C)[C@H](CNC1[C@@H]2CC[C@H]1C[N@H+](C)C2)c1ccc(F)cc1 ZINC000924716192 693176224 /nfs/dbraw/zinc/17/62/24/693176224.db2.gz DBPCPABVVZKMOC-FZBAJKBMSA-N 1 3 305.441 2.358 20 0 DEADHO C[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc(C(C)(C)O)cc1 ZINC000924757256 693182143 /nfs/dbraw/zinc/18/21/43/693182143.db2.gz SCVWRSYOJKEPFP-OAHLLOKOSA-N 1 3 320.477 2.411 20 0 DEADHO COCCC[NH+]1CCC(N[C@H](C)C2(Br)CC2)CC1 ZINC000924911019 693200383 /nfs/dbraw/zinc/20/03/83/693200383.db2.gz AFTVEKKUGUCUFP-GFCCVEGCSA-N 1 3 319.287 2.393 20 0 DEADHO CN(C)[C@H](C(=O)N1CC2(C1)CC[NH+](CC1CCC1)CC2)C1CC1 ZINC001050542517 693203894 /nfs/dbraw/zinc/20/38/94/693203894.db2.gz FESKHTQDKBNQNI-KRWDZBQOSA-N 1 3 319.493 2.051 20 0 DEADHO CC(C)CC[NH+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC1 ZINC001050545002 693204415 /nfs/dbraw/zinc/20/44/15/693204415.db2.gz VVWSQKYCIAXYTH-QGZVFWFLSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@H](NCCc1ccc(OCC[NH+](C)C)cc1)c1cn(C)cn1 ZINC000924969940 693208834 /nfs/dbraw/zinc/20/88/34/693208834.db2.gz NVMPVWAMSDWULE-HNNXBMFYSA-N 1 3 316.449 2.254 20 0 DEADHO CCC[NH+]1CCC2(CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C2)CC1 ZINC001050765881 693246797 /nfs/dbraw/zinc/24/67/97/693246797.db2.gz FYXSJNQSHMVECU-HOTGVXAUSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1[C@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CCN1C ZINC000925339220 693259661 /nfs/dbraw/zinc/25/96/61/693259661.db2.gz STJNJPRBLCJXEE-JKSUJKDBSA-N 1 3 324.513 2.423 20 0 DEADHO CN(CCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)CC(F)(F)F ZINC000925479972 693279524 /nfs/dbraw/zinc/27/95/24/693279524.db2.gz TWVLYHRTRVCAQW-KGLIPLIRSA-N 1 3 307.404 2.238 20 0 DEADHO CN(C)C(=O)C1(C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CCCC1 ZINC000925488323 693281215 /nfs/dbraw/zinc/28/12/15/693281215.db2.gz RTCCCOFDVVHNIF-IAGOWNOFSA-N 1 3 321.509 2.393 20 0 DEADHO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925498596 693282807 /nfs/dbraw/zinc/28/28/07/693282807.db2.gz HBNRYCSSXGWJEY-VSZNYVQBSA-N 1 3 321.509 2.391 20 0 DEADHO CC(C)[C@H](CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)N1CCOCC1 ZINC000925519497 693287416 /nfs/dbraw/zinc/28/74/16/693287416.db2.gz RZFOHOJNXSIMQO-FHWLQOOXSA-N 1 3 323.525 2.101 20 0 DEADHO CC(C)[C@H](C[NH2+][C@H]1CCNC[C@H]1C1CCCC1)N1CCOCC1 ZINC000925519497 693287418 /nfs/dbraw/zinc/28/74/18/693287418.db2.gz RZFOHOJNXSIMQO-FHWLQOOXSA-N 1 3 323.525 2.101 20 0 DEADHO CCOC(=O)N1CCC([NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925538493 693292245 /nfs/dbraw/zinc/29/22/45/693292245.db2.gz RGMRMZFUYNOOSA-SJORKVTESA-N 1 3 323.481 2.365 20 0 DEADHO CCN1CCN(Cc2ccc(N[C@H]3CCC[NH2+][C@@H]3C)cc2)CC1 ZINC000925571392 693300023 /nfs/dbraw/zinc/30/00/23/693300023.db2.gz HLKKQMRZBURDSO-APWZRJJASA-N 1 3 316.493 2.377 20 0 DEADHO c1ccc(N2CC[C@H](N[C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)C2)nc1 ZINC000925607138 693308239 /nfs/dbraw/zinc/30/82/39/693308239.db2.gz ODFYMMZHRGMYJQ-RCCFBDPRSA-N 1 3 314.477 2.418 20 0 DEADHO OC[C@@H](Cc1ccccc1)N[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925641488 693315481 /nfs/dbraw/zinc/31/54/81/693315481.db2.gz NTUOATOTGPBEFY-GUDVDZBRSA-N 1 3 302.462 2.348 20 0 DEADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C1CCN(c2nccs2)CC1 ZINC000925656637 693319355 /nfs/dbraw/zinc/31/93/55/693319355.db2.gz ZANQKAGFTKIQFA-ILXRZTDVSA-N 1 3 320.506 2.478 20 0 DEADHO C[C@H](NCCN1CCC([NH3+])CC1)c1cc(F)c(F)c(F)c1 ZINC000925808231 693345421 /nfs/dbraw/zinc/34/54/21/693345421.db2.gz BMIIBEAFYALCNG-JTQLQIEISA-N 1 3 301.356 2.178 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(NC(=O)OC(C)(C)C)CCC1 ZINC000926137222 693402998 /nfs/dbraw/zinc/40/29/98/693402998.db2.gz RTKOKVJQMBMWMJ-YIONKMFJSA-N 1 3 323.481 2.364 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000926284644 693428519 /nfs/dbraw/zinc/42/85/19/693428519.db2.gz NUWZRHACGGMSFY-YPQMBLHHSA-N 1 3 318.436 2.222 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@]1(CO)C[C@H]1c1ccccc1 ZINC000926442699 693450133 /nfs/dbraw/zinc/45/01/33/693450133.db2.gz LLFBCTMOHYVULG-DTRVGAPLSA-N 1 3 300.446 2.082 20 0 DEADHO CC[C@@H]1COC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000926695239 693493940 /nfs/dbraw/zinc/49/39/40/693493940.db2.gz ZGFBEVHVMVBJFU-MSOLQXFVSA-N 1 3 303.450 2.308 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CCC[N@H+](CCC2CC2)CC1 ZINC001052713484 693601668 /nfs/dbraw/zinc/60/16/68/693601668.db2.gz YEQLBANBQZEHNX-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC001052713484 693601671 /nfs/dbraw/zinc/60/16/71/693601671.db2.gz YEQLBANBQZEHNX-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001402230609 1162298989 /nfs/dbraw/zinc/29/89/89/1162298989.db2.gz GSVQUWISJRODTR-VCDPDADVSA-N 1 3 313.873 2.051 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001402230609 1162298990 /nfs/dbraw/zinc/29/89/90/1162298990.db2.gz GSVQUWISJRODTR-VCDPDADVSA-N 1 3 313.873 2.051 20 0 DEADHO CC(C)[NH2+][C@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001402321647 1162324210 /nfs/dbraw/zinc/32/42/10/1162324210.db2.gz FZDOOWWIKZRZPH-PBHICJAKSA-N 1 3 313.461 2.092 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3CCC4(CCCC4)C3=O)C[C@H]2C1 ZINC001334725526 1150336474 /nfs/dbraw/zinc/33/64/74/1150336474.db2.gz OWONBJZIDYDAGB-BRWVUGGUSA-N 1 3 319.493 2.399 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CC[NH+](C[C@H](C)CC)CC2 ZINC001402495989 1162370749 /nfs/dbraw/zinc/37/07/49/1162370749.db2.gz OMSKBUFDJUAHHK-MRXNPFEDSA-N 1 3 309.498 2.299 20 0 DEADHO CCc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H](CC)N(C)C)C2)cc1 ZINC001402517151 1162376862 /nfs/dbraw/zinc/37/68/62/1162376862.db2.gz TWAIPICRHMXEPJ-KZNAEPCWSA-N 1 3 317.477 2.326 20 0 DEADHO C[NH+](C)CCC(=O)N1CCC[C@@H]2CN(C/C=C/Cl)CC[C@@H]21 ZINC001402581611 1162400596 /nfs/dbraw/zinc/40/05/96/1162400596.db2.gz PGHAWKYXCMGDBH-JGNQBTRVSA-N 1 3 313.873 2.004 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC001402636459 1162421133 /nfs/dbraw/zinc/42/11/33/1162421133.db2.gz PUUHAANONMQYAF-KFWWJZLASA-N 1 3 321.440 2.465 20 0 DEADHO CC(C)C[N@H+](C)C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001480079894 1151559507 /nfs/dbraw/zinc/55/95/07/1151559507.db2.gz VDSQBSHWIZWIQF-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001480079894 1151559518 /nfs/dbraw/zinc/55/95/18/1151559518.db2.gz VDSQBSHWIZWIQF-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CN(CC(=O)N1CCCC[C@@H]1C[NH2+]CCCF)CC(C)(C)C ZINC001480361773 1151766831 /nfs/dbraw/zinc/76/68/31/1151766831.db2.gz TWOCIPLLWQEPDS-OAHLLOKOSA-N 1 3 315.477 2.295 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001402691857 1162443765 /nfs/dbraw/zinc/44/37/65/1162443765.db2.gz IZMGQDROCLTBQU-QGZVFWFLSA-N 1 3 309.498 2.347 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001480516077 1151836782 /nfs/dbraw/zinc/83/67/82/1151836782.db2.gz LDYYVQIAOCEZKB-AWEZNQCLSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C[NH2+]CC1CC(C)(C)C1)C1CC1)N(C)C ZINC001379895007 1152709761 /nfs/dbraw/zinc/70/97/61/1152709761.db2.gz DSRZDUMOBZROEJ-CVEARBPZSA-N 1 3 309.498 2.247 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccccc2)CC1 ZINC001380087494 1152748534 /nfs/dbraw/zinc/74/85/34/1152748534.db2.gz XFGOQBVVHLQRCK-KRWDZBQOSA-N 1 3 315.461 2.298 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]C/C=C\c2ccccc2)CC1)N(C)C ZINC001380101591 1152749778 /nfs/dbraw/zinc/74/97/78/1152749778.db2.gz LNLFWQOITARWIG-SDMNGIDPSA-N 1 3 315.461 2.278 20 0 DEADHO Cc1cc(CNC2(CNC(=O)CCC[NH+](C)C)CC2)cs1 ZINC001380133982 1152754381 /nfs/dbraw/zinc/75/43/81/1152754381.db2.gz OHNAFRLVXNNVCA-UHFFFAOYSA-N 1 3 309.479 2.137 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC001362780471 1153086261 /nfs/dbraw/zinc/08/62/61/1153086261.db2.gz ZXPCJYAPWXIYDH-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)CC1CC2(CCC2)C1)N(C)C ZINC001381531183 1153111531 /nfs/dbraw/zinc/11/15/31/1153111531.db2.gz DYQOSWKJUJUGKU-GDBMZVCRSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CC1CC2(CCC2)C1)N(C)C ZINC001381531183 1153111534 /nfs/dbraw/zinc/11/15/34/1153111534.db2.gz DYQOSWKJUJUGKU-GDBMZVCRSA-N 1 3 309.498 2.343 20 0 DEADHO O=C(NC[C@H]1CCCCN1C1CC1)C1C[NH+](C2CCCCC2)C1 ZINC001362841925 1153111764 /nfs/dbraw/zinc/11/17/64/1153111764.db2.gz KPLUXEWTSYJKSH-GOSISDBHSA-N 1 3 319.493 2.384 20 0 DEADHO CCC(CC)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001381927811 1153276890 /nfs/dbraw/zinc/27/68/90/1153276890.db2.gz KPBZWRUBTWTVPY-FJIDUMEYSA-N 1 3 323.525 2.303 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001381927811 1153276894 /nfs/dbraw/zinc/27/68/94/1153276894.db2.gz KPBZWRUBTWTVPY-FJIDUMEYSA-N 1 3 323.525 2.303 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001382341244 1153429388 /nfs/dbraw/zinc/42/93/88/1153429388.db2.gz HEWRPELVUPVJRW-SJORKVTESA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H]([NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21)C1CN(C(=O)OC(C)(C)C)C1 ZINC001363940842 1153732920 /nfs/dbraw/zinc/73/29/20/1153732920.db2.gz QESYYVQTVCYIJA-DARAHFNDSA-N 1 3 323.481 2.172 20 0 DEADHO Cc1cc(F)ccc1C[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)C(C)C ZINC001403035078 1162645128 /nfs/dbraw/zinc/64/51/28/1162645128.db2.gz KFHLEJBUGXHZGF-HUUCEWRRSA-N 1 3 323.456 2.457 20 0 DEADHO CC(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCCCN1C(C)C)C1CC1 ZINC001389669295 1155392020 /nfs/dbraw/zinc/39/20/20/1155392020.db2.gz FRUDQMHFAMGJAJ-DLBZAZTESA-N 1 3 309.498 2.390 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CN(C)CCF)C1 ZINC001389719650 1155402502 /nfs/dbraw/zinc/40/25/02/1155402502.db2.gz HVJMPAXEPNOQRL-CVEARBPZSA-N 1 3 313.461 2.001 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CN(C)CCF)C1 ZINC001389719650 1155402509 /nfs/dbraw/zinc/40/25/09/1155402509.db2.gz HVJMPAXEPNOQRL-CVEARBPZSA-N 1 3 313.461 2.001 20 0 DEADHO CN(C)C1(C(=O)NC2CCC([NH2+]CCC3CC3)CC2)CCC1 ZINC001371069096 1155682036 /nfs/dbraw/zinc/68/20/36/1155682036.db2.gz FVTSJZLOVMNCRN-UHFFFAOYSA-N 1 3 307.482 2.288 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1CCC([NH2+]C/C=C\Cl)CC1 ZINC001371072745 1155683230 /nfs/dbraw/zinc/68/32/30/1155683230.db2.gz PMNJVJNLQSCSGO-UQCOIBPSSA-N 1 3 310.829 2.030 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC001390531977 1155796393 /nfs/dbraw/zinc/79/63/93/1155796393.db2.gz FXZYZHHCKGXBPS-YOEHRIQHSA-N 1 3 303.450 2.108 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]([NH2+]C/C=C/Cl)C1 ZINC001390620608 1155816310 /nfs/dbraw/zinc/81/63/10/1155816310.db2.gz VHYHZOYGFLWMNR-SLEPRMHMSA-N 1 3 310.829 2.030 20 0 DEADHO Cc1ccc(CC[N@@H+](C)CCNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001390808992 1155878459 /nfs/dbraw/zinc/87/84/59/1155878459.db2.gz FXFDVPBVLDDXLY-GOSISDBHSA-N 1 3 319.493 2.172 20 0 DEADHO Cc1ccc(CC[N@H+](C)CCNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001390808992 1155878461 /nfs/dbraw/zinc/87/84/61/1155878461.db2.gz FXFDVPBVLDDXLY-GOSISDBHSA-N 1 3 319.493 2.172 20 0 DEADHO Cc1ccc(C)c(C[N@@H+](C)CCNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001372102636 1156213408 /nfs/dbraw/zinc/21/34/08/1156213408.db2.gz MVQRJBJQDWQHRX-MRXNPFEDSA-N 1 3 317.477 2.193 20 0 DEADHO Cc1ccc(C)c(C[N@H+](C)CCNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001372102636 1156213422 /nfs/dbraw/zinc/21/34/22/1156213422.db2.gz MVQRJBJQDWQHRX-MRXNPFEDSA-N 1 3 317.477 2.193 20 0 DEADHO CC[C@@H]([NH2+]CCN(C)C(=O)Cc1c[nH]cn1)c1ccccc1 ZINC001391209546 1156253495 /nfs/dbraw/zinc/25/34/95/1156253495.db2.gz CSROHZYMWQURJD-MRXNPFEDSA-N 1 3 300.406 2.152 20 0 DEADHO CC[C@H](C(=O)N(C)CC[NH2+][C@@H](C)c1cccc(F)c1)N(C)C ZINC001391216845 1156258550 /nfs/dbraw/zinc/25/85/50/1156258550.db2.gz YNSGEVSFQSOANT-XJKSGUPXSA-N 1 3 309.429 2.275 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@@H]1CCCc2ccccc21)N(C)C ZINC001391229112 1156266615 /nfs/dbraw/zinc/26/66/15/1156266615.db2.gz QIUFSUBVXFYLTF-MSOLQXFVSA-N 1 3 317.477 2.452 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC)c1ccccc1 ZINC001391263392 1156296842 /nfs/dbraw/zinc/29/68/42/1156296842.db2.gz LIZSOOXEZYXUMC-DLBZAZTESA-N 1 3 303.450 2.328 20 0 DEADHO CN(CC(=O)N1CC[C@@H](C[N@H+](C)CCC2CC2)C1)C1CCC1 ZINC001391350286 1156350738 /nfs/dbraw/zinc/35/07/38/1156350738.db2.gz FTDULMGNEUJDLU-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CN(CC(=O)N1CC[C@@H](C[N@@H+](C)CCC2CC2)C1)C1CCC1 ZINC001391350286 1156350742 /nfs/dbraw/zinc/35/07/42/1156350742.db2.gz FTDULMGNEUJDLU-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1)N(C)C ZINC001372665937 1156656311 /nfs/dbraw/zinc/65/63/11/1156656311.db2.gz YCNYIALYOVWADK-ZBFHGGJFSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1)N(C)C ZINC001372665937 1156656320 /nfs/dbraw/zinc/65/63/20/1156656320.db2.gz YCNYIALYOVWADK-ZBFHGGJFSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@H](F)CN1CC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001372685002 1156681711 /nfs/dbraw/zinc/68/17/11/1156681711.db2.gz VAXAMUCFANMNAS-CVEARBPZSA-N 1 3 313.461 2.049 20 0 DEADHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001391716107 1156726864 /nfs/dbraw/zinc/72/68/64/1156726864.db2.gz BZGITJDSDZPZKH-ZBFHGGJFSA-N 1 3 309.498 2.249 20 0 DEADHO C[C@H]([NH2+]C/C=C/Cl)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001372994202 1156834236 /nfs/dbraw/zinc/83/42/36/1156834236.db2.gz NMIDXSMKIIBXCB-LQTBYQGRSA-N 1 3 313.873 2.050 20 0 DEADHO C[C@H](F)CC[NH2+][C@@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001373031274 1156841945 /nfs/dbraw/zinc/84/19/45/1156841945.db2.gz LOEGKCONCVHUNW-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](C(=O)N(C)CC[N@H+](C)CC1CC2(CCC2)C1)N(C)C ZINC001392291412 1156991103 /nfs/dbraw/zinc/99/11/03/1156991103.db2.gz YLEKMJSSONJPAA-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C(=O)N(C)CC[N@@H+](C)CC1CC2(CCC2)C1)N(C)C ZINC001392291412 1156991114 /nfs/dbraw/zinc/99/11/14/1156991114.db2.gz YLEKMJSSONJPAA-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]C/C(Cl)=C\Cl)C1)N(C)C ZINC001403254997 1162829151 /nfs/dbraw/zinc/82/91/51/1162829151.db2.gz VFXDAERMPYNQJD-HODSQTJBSA-N 1 3 322.280 2.084 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)CN2CC[C@H](C)C2)cc1C ZINC001392509556 1157083370 /nfs/dbraw/zinc/08/33/70/1157083370.db2.gz HVZSFFINNAOORV-WMLDXEAASA-N 1 3 317.477 2.240 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1C1CC1)N(C)C ZINC001392594575 1157186833 /nfs/dbraw/zinc/18/68/33/1157186833.db2.gz KBKKPOULGWHIEP-KSSFIOAISA-N 1 3 317.477 2.499 20 0 DEADHO C[C@H](CN(C)Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392728849 1157377340 /nfs/dbraw/zinc/37/73/40/1157377340.db2.gz RGSFHYNDHRGVFP-UKRRQHHQSA-N 1 3 323.868 2.228 20 0 DEADHO C[C@H](CN(C)Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392728849 1157377351 /nfs/dbraw/zinc/37/73/51/1157377351.db2.gz RGSFHYNDHRGVFP-UKRRQHHQSA-N 1 3 323.868 2.228 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]21)N(C)C ZINC001403404505 1162874095 /nfs/dbraw/zinc/87/40/95/1162874095.db2.gz GZSADKGABYKMNT-FJIDUMEYSA-N 1 3 321.509 2.201 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CCCC3CCC3)C[C@H]21)N(C)C ZINC001403404505 1162874097 /nfs/dbraw/zinc/87/40/97/1162874097.db2.gz GZSADKGABYKMNT-FJIDUMEYSA-N 1 3 321.509 2.201 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001392963934 1157570697 /nfs/dbraw/zinc/57/06/97/1157570697.db2.gz RULCQPSLLOSJDN-SJORKVTESA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1[C@@H]1CC[N@H+](C(C)C)C1 ZINC001392963934 1157570703 /nfs/dbraw/zinc/57/07/03/1157570703.db2.gz RULCQPSLLOSJDN-SJORKVTESA-N 1 3 309.498 2.438 20 0 DEADHO CC[C@@H](C)C[N@H+]1C[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001393415134 1157824040 /nfs/dbraw/zinc/82/40/40/1157824040.db2.gz DMNIGKFLSDFHMU-ZACQAIPSSA-N 1 3 323.525 2.401 20 0 DEADHO CC[C@@H](C)C[N@@H+]1C[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001393415134 1157824045 /nfs/dbraw/zinc/82/40/45/1157824045.db2.gz DMNIGKFLSDFHMU-ZACQAIPSSA-N 1 3 323.525 2.401 20 0 DEADHO C[NH+](C)CCC(=O)N[C@@H]1CCCN(Cc2ccccc2F)CC1 ZINC001393592490 1157871719 /nfs/dbraw/zinc/87/17/19/1157871719.db2.gz FHTQCLRLOCKRQB-MRXNPFEDSA-N 1 3 321.440 2.248 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2CC[N@H+](CCCF)CC2(C)C)CCC1 ZINC001393760147 1157958218 /nfs/dbraw/zinc/95/82/18/1157958218.db2.gz RXMWARHOHYSORO-AWEZNQCLSA-N 1 3 313.461 2.047 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2CC[N@@H+](CCCF)CC2(C)C)CCC1 ZINC001393760147 1157958227 /nfs/dbraw/zinc/95/82/27/1157958227.db2.gz RXMWARHOHYSORO-AWEZNQCLSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001394000751 1158151574 /nfs/dbraw/zinc/15/15/74/1158151574.db2.gz MFHCUFYRXSJCKF-KBPBESRZSA-N 1 3 309.429 2.149 20 0 DEADHO C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)NCc1cncs1 ZINC001394010688 1158160383 /nfs/dbraw/zinc/16/03/83/1158160383.db2.gz XOHGZTDAEUPDBK-UONOGXRCSA-N 1 3 324.494 2.002 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C1C[NH+](Cc2ccccc2C)C1)N(C)C ZINC001394260794 1158400095 /nfs/dbraw/zinc/40/00/95/1158400095.db2.gz HGHITNKLXZLNHQ-MAUKXSAKSA-N 1 3 317.477 2.272 20 0 DEADHO CC(C)CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001394319462 1158411892 /nfs/dbraw/zinc/41/18/92/1158411892.db2.gz SMFDTEMTZJXJGE-FJIDUMEYSA-N 1 3 323.525 2.303 20 0 DEADHO CC(C)CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001394319462 1158411896 /nfs/dbraw/zinc/41/18/96/1158411896.db2.gz SMFDTEMTZJXJGE-FJIDUMEYSA-N 1 3 323.525 2.303 20 0 DEADHO CC[C@@H](c1ccccc1)N1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001375344232 1158520440 /nfs/dbraw/zinc/52/04/40/1158520440.db2.gz YLQAYDDIPAUXGN-IRXDYDNUSA-N 1 3 303.450 2.280 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CCC3)[C@H]2C1 ZINC001394681045 1158671778 /nfs/dbraw/zinc/67/17/78/1158671778.db2.gz CMGCBBRFLSEQJZ-OKZBNKHCSA-N 1 3 321.509 2.343 20 0 DEADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CCN1CCc1ccccc1 ZINC001375467159 1158727366 /nfs/dbraw/zinc/72/73/66/1158727366.db2.gz IPYJPPVJPFOGHL-SFHVURJKSA-N 1 3 317.477 2.104 20 0 DEADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CCN1CCc1ccccc1 ZINC001375467159 1158727371 /nfs/dbraw/zinc/72/73/71/1158727371.db2.gz IPYJPPVJPFOGHL-SFHVURJKSA-N 1 3 317.477 2.104 20 0 DEADHO CC(C)[C@H](C(=O)N(C)[C@@H](C[NH2+]CC1CCC1)C1CC1)N(C)C ZINC001403539795 1162979470 /nfs/dbraw/zinc/97/94/70/1162979470.db2.gz XFUUAKNSOPBXER-DLBZAZTESA-N 1 3 309.498 2.199 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2)C1)N(C)C ZINC001375573145 1158817942 /nfs/dbraw/zinc/81/79/42/1158817942.db2.gz LAPOMDYOEAQOBN-KSZLIROESA-N 1 3 317.477 2.401 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)C2)c(C)c1 ZINC001376353721 1159355074 /nfs/dbraw/zinc/35/50/74/1159355074.db2.gz RVHDGMPRSVAAFA-SFHVURJKSA-N 1 3 317.477 2.334 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CC3CC4(CCC4)C3)C2)CCC1 ZINC001376367875 1159365467 /nfs/dbraw/zinc/36/54/67/1159365467.db2.gz RLAFXJQMXZURGS-WKILWMFISA-N 1 3 319.493 2.288 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2C)C1)N(C)C ZINC001376481317 1159467806 /nfs/dbraw/zinc/46/78/06/1159467806.db2.gz XRQHMICVSVEQRW-KSZLIROESA-N 1 3 317.477 2.380 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC001376567676 1159546215 /nfs/dbraw/zinc/54/62/15/1159546215.db2.gz HDYZAIJZSRHYPY-SFHVURJKSA-N 1 3 317.477 2.355 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]C/C=C\Cl ZINC001403624086 1163057094 /nfs/dbraw/zinc/05/70/94/1163057094.db2.gz NVJXYZGTKLMFHW-MHVKHXTKSA-N 1 3 301.862 2.050 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cccc(C)c1 ZINC001376728431 1159730985 /nfs/dbraw/zinc/73/09/85/1159730985.db2.gz CAIPMSGFFGKFOE-AEFFLSMTSA-N 1 3 317.477 2.464 20 0 DEADHO Cc1cc(C)cc(C[NH2+][C@H](C)CNC(=O)CN2CC[C@H](C)C2)c1 ZINC001376804379 1159806854 /nfs/dbraw/zinc/80/68/54/1159806854.db2.gz VCZPNWDFBIDTDZ-WMLDXEAASA-N 1 3 317.477 2.240 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccns1 ZINC001377100146 1159899049 /nfs/dbraw/zinc/89/90/49/1159899049.db2.gz CPDAEZWLAHHWIF-UKRRQHHQSA-N 1 3 324.494 2.002 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccns1 ZINC001377100131 1159899059 /nfs/dbraw/zinc/89/90/59/1159899059.db2.gz CPDAEZWLAHHWIF-DZGCQCFKSA-N 1 3 324.494 2.002 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1)N(C)C ZINC001397095856 1159977358 /nfs/dbraw/zinc/97/73/58/1159977358.db2.gz JANSJJVPBNBTCN-FGTMMUONSA-N 1 3 317.477 2.257 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C/C=C/Cl)C1 ZINC001397119468 1160001395 /nfs/dbraw/zinc/00/13/95/1160001395.db2.gz HPORNLWPFSWLJS-CEKYNELTSA-N 1 3 313.873 2.096 20 0 DEADHO CC[C@H](C(=O)N1CCC(C)([NH2+]CCC(F)(F)F)CC1)N(C)C ZINC001377300802 1160169455 /nfs/dbraw/zinc/16/94/55/1160169455.db2.gz KMQXYUQCOAEXOF-GFCCVEGCSA-N 1 3 323.403 2.250 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(CCC(F)(F)F)[C@@H](C)C1 ZINC001377375559 1160300420 /nfs/dbraw/zinc/30/04/20/1160300420.db2.gz AZRVEYZIKAVVIZ-STQMWFEESA-N 1 3 323.403 2.250 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCC(F)(F)F)[C@@H](C)C1 ZINC001377375559 1160300430 /nfs/dbraw/zinc/30/04/30/1160300430.db2.gz AZRVEYZIKAVVIZ-STQMWFEESA-N 1 3 323.403 2.250 20 0 DEADHO CC[N@H+](C)CCC(=O)NCCN(C)Cc1cc(C)cc(C)c1 ZINC001403742593 1163129879 /nfs/dbraw/zinc/12/98/79/1163129879.db2.gz SJJOOTIEXUDJIN-UHFFFAOYSA-N 1 3 305.466 2.193 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCCN(C)Cc1cc(C)cc(C)c1 ZINC001403742593 1163129906 /nfs/dbraw/zinc/12/99/06/1163129906.db2.gz SJJOOTIEXUDJIN-UHFFFAOYSA-N 1 3 305.466 2.193 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CCC(C)(C)C ZINC001377661396 1160686643 /nfs/dbraw/zinc/68/66/43/1160686643.db2.gz YGGXXUSVEMLKIO-JKSUJKDBSA-N 1 3 309.498 2.440 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CCC(C)(C)C ZINC001377661396 1160686655 /nfs/dbraw/zinc/68/66/55/1160686655.db2.gz YGGXXUSVEMLKIO-JKSUJKDBSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)[NH2+][C@@H](CNC(=O)[C@H](C(C)C)N(C)C)c1ccccc1 ZINC001377693632 1160742513 /nfs/dbraw/zinc/74/25/13/1160742513.db2.gz GQYNCBTVTZTCGQ-IRXDYDNUSA-N 1 3 305.466 2.428 20 0 DEADHO CC(C)(C(=O)NCC[C@H]1CCN(CCF)C1)[NH+]1CCCCC1 ZINC001377697085 1160745772 /nfs/dbraw/zinc/74/57/72/1160745772.db2.gz ORRILMUVNRLYPB-HNNXBMFYSA-N 1 3 313.461 2.049 20 0 DEADHO C[C@@H](F)CC[NH+]1CCC(N(C)C(=O)CN(C)C2CCC2)CC1 ZINC001398191603 1160812676 /nfs/dbraw/zinc/81/26/76/1160812676.db2.gz XNCKEICTEQCJQW-CQSZACIVSA-N 1 3 313.461 2.142 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)C1 ZINC001398252090 1160835842 /nfs/dbraw/zinc/83/58/42/1160835842.db2.gz IWOPKFZNEOXZLG-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)C1 ZINC001398252090 1160835845 /nfs/dbraw/zinc/83/58/45/1160835845.db2.gz IWOPKFZNEOXZLG-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001398297821 1160849110 /nfs/dbraw/zinc/84/91/10/1160849110.db2.gz IODNOWKEPYIIKP-QZTJIDSGSA-N 1 3 315.461 2.252 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001398297821 1160849112 /nfs/dbraw/zinc/84/91/12/1160849112.db2.gz IODNOWKEPYIIKP-QZTJIDSGSA-N 1 3 315.461 2.252 20 0 DEADHO C[C@H](NC(=O)CN(C)CC(C)(C)C)[C@H](C)[NH2+]C/C=C\Cl ZINC001377858478 1160853350 /nfs/dbraw/zinc/85/33/50/1160853350.db2.gz SABQBIJSMWXDER-YHQHFJRFSA-N 1 3 303.878 2.200 20 0 DEADHO CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001398317569 1160854960 /nfs/dbraw/zinc/85/49/60/1160854960.db2.gz WERWYYJWQKDKEG-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001398317569 1160854962 /nfs/dbraw/zinc/85/49/62/1160854962.db2.gz WERWYYJWQKDKEG-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC12CC[NH+](CC[C@H](C)F)CC2 ZINC001398359611 1160864784 /nfs/dbraw/zinc/86/47/84/1160864784.db2.gz IDRBITVDNVPHHV-LSDHHAIUSA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)C[NH2+]C1CCC(N(C)C(=O)CN(C)C2CCC2)CC1 ZINC001377911110 1160868989 /nfs/dbraw/zinc/86/89/89/1160868989.db2.gz AYSITZKQKUZWMB-UHFFFAOYSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001398662235 1161039694 /nfs/dbraw/zinc/03/96/94/1161039694.db2.gz GBBREFSGOFTNAH-ZDEQEGDKSA-N 1 3 321.387 2.048 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001398676606 1161049932 /nfs/dbraw/zinc/04/99/32/1161049932.db2.gz ZQNZIKXLAMVHMD-BZYKYNINSA-N 1 3 315.461 2.278 20 0 DEADHO CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CC2CCCC2)C1)N(C)C ZINC001378164709 1161068957 /nfs/dbraw/zinc/06/89/57/1161068957.db2.gz KEGCKXWGMWZUJA-IAGOWNOFSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCC2)C1)N(C)C ZINC001378164709 1161068966 /nfs/dbraw/zinc/06/89/66/1161068966.db2.gz KEGCKXWGMWZUJA-IAGOWNOFSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001398919567 1161151306 /nfs/dbraw/zinc/15/13/06/1161151306.db2.gz KJQZVBDELWGLME-WMLDXEAASA-N 1 3 321.440 2.293 20 0 DEADHO Cc1cc(F)ccc1C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001399100043 1161231072 /nfs/dbraw/zinc/23/10/72/1161231072.db2.gz LZLSCSZQOUPNRX-RHSMWYFYSA-N 1 3 323.456 2.315 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]([NH2+]CC1CC1)c1ccccc1)N(C)C ZINC001400078159 1161647941 /nfs/dbraw/zinc/64/79/41/1161647941.db2.gz DFVFQNIMBVHVPR-ZWKOTPCHSA-N 1 3 317.477 2.430 20 0 DEADHO CC[C@@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CC1CC1 ZINC001400867009 1161837826 /nfs/dbraw/zinc/83/78/26/1161837826.db2.gz UTMNPDDQOSBAIC-WMLDXEAASA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCCC1 ZINC001401108516 1161875198 /nfs/dbraw/zinc/87/51/98/1161875198.db2.gz MWSVRNWUUHBDDO-RDJZCZTQSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+]C/C=C\Cl)CCCC1 ZINC001401191209 1161890256 /nfs/dbraw/zinc/89/02/56/1161890256.db2.gz PQRUIXDWFQGKOE-TWGQIWQCSA-N 1 3 301.862 2.098 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCN2C)cc1C ZINC001401207856 1161894451 /nfs/dbraw/zinc/89/44/51/1161894451.db2.gz WTEUHXDZTMIFFW-FUHWJXTLSA-N 1 3 317.477 2.334 20 0 DEADHO CC[N@H+](C)CCC(=O)N(C)CCN(C)Cc1ccc(C)cc1 ZINC001401437469 1161994382 /nfs/dbraw/zinc/99/43/82/1161994382.db2.gz YFKXVLLVDCMHCE-UHFFFAOYSA-N 1 3 305.466 2.227 20 0 DEADHO CC[N@@H+](C)CCC(=O)N(C)CCN(C)Cc1ccc(C)cc1 ZINC001401437469 1161994386 /nfs/dbraw/zinc/99/43/86/1161994386.db2.gz YFKXVLLVDCMHCE-UHFFFAOYSA-N 1 3 305.466 2.227 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1cc(C)ccc1C)N(C)C ZINC001401634142 1162053244 /nfs/dbraw/zinc/05/32/44/1162053244.db2.gz OVSMUTTXSWRRTL-NVXWUHKLSA-N 1 3 305.466 2.238 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccccc2)C1 ZINC001402199919 1162284787 /nfs/dbraw/zinc/28/47/87/1162284787.db2.gz XBXKFYZGBBUVLE-IBGZPJMESA-N 1 3 317.477 2.355 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]Cc1cccnc1)C(C)(C)C ZINC001403987876 1163354471 /nfs/dbraw/zinc/35/44/71/1163354471.db2.gz WYXUJZUQXJRVHR-MRXNPFEDSA-N 1 3 320.481 2.042 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](CC1CC(C)(C)C1)C1CC1)N(C)C ZINC001404233238 1163523803 /nfs/dbraw/zinc/52/38/03/1163523803.db2.gz AXJVMLWOUYWDMW-MRXNPFEDSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](CC1CC(C)(C)C1)C1CC1)N(C)C ZINC001404233238 1163523807 /nfs/dbraw/zinc/52/38/07/1163523807.db2.gz AXJVMLWOUYWDMW-MRXNPFEDSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)N(C)CC[NH2+][C@H](C)c1cccc(OC)c1)N(C)C ZINC001404318956 1163583909 /nfs/dbraw/zinc/58/39/09/1163583909.db2.gz NBJNAUKNJNLNHG-RHSMWYFYSA-N 1 3 321.465 2.144 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001405067407 1163921902 /nfs/dbraw/zinc/92/19/02/1163921902.db2.gz HAEYNBPAFQKNDB-QGZVFWFLSA-N 1 3 303.450 2.027 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001405067407 1163921908 /nfs/dbraw/zinc/92/19/08/1163921908.db2.gz HAEYNBPAFQKNDB-QGZVFWFLSA-N 1 3 303.450 2.027 20 0 DEADHO C[C@H]1CCN(CC(=O)NCc2ccc(C[NH2+]CC3CC3)cc2)C1 ZINC001405572187 1164154530 /nfs/dbraw/zinc/15/45/30/1164154530.db2.gz RSUFFLKMWAYYRT-HNNXBMFYSA-N 1 3 315.461 2.144 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1 ZINC001405881271 1164309548 /nfs/dbraw/zinc/30/95/48/1164309548.db2.gz DRBKKVUUIHAKLM-HNNXBMFYSA-N 1 3 321.440 2.166 20 0 DEADHO Cc1cccc(CN(C)CCN(C)C(=O)CCC[NH+](C)C)c1 ZINC001406120478 1164458377 /nfs/dbraw/zinc/45/83/77/1164458377.db2.gz DNOGAMJHUDIPEE-UHFFFAOYSA-N 1 3 305.466 2.227 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CCC1)C2 ZINC001407019937 1164927277 /nfs/dbraw/zinc/92/72/77/1164927277.db2.gz ADROFYMTFNWEGI-LJQANCHMSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC001407019937 1164927281 /nfs/dbraw/zinc/92/72/81/1164927281.db2.gz ADROFYMTFNWEGI-LJQANCHMSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]Cc2ccsc2)C1)N(C)C ZINC001407225409 1165053653 /nfs/dbraw/zinc/05/36/53/1165053653.db2.gz JAUIFSCWGYUPAB-NVXWUHKLSA-N 1 3 323.506 2.417 20 0 DEADHO CC(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001407513669 1165177430 /nfs/dbraw/zinc/17/74/30/1165177430.db2.gz AYRWUBPGOMVRCI-IRXDYDNUSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@@H](F)CN(C)CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001407932320 1165399639 /nfs/dbraw/zinc/39/96/39/1165399639.db2.gz XVSMTJGIYBAZGT-OAHLLOKOSA-N 1 3 313.461 2.143 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001408020199 1165435605 /nfs/dbraw/zinc/43/56/05/1165435605.db2.gz ZWLSQRLIWSDPNK-IBGZPJMESA-N 1 3 321.509 2.443 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001408020199 1165435613 /nfs/dbraw/zinc/43/56/13/1165435613.db2.gz ZWLSQRLIWSDPNK-IBGZPJMESA-N 1 3 321.509 2.443 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2C[N@H+](C)CCC2CC2)C1 ZINC001408353138 1165608424 /nfs/dbraw/zinc/60/84/24/1165608424.db2.gz IIQTWFPIINLNBB-DOTOQJQBSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2C[N@@H+](C)CCC2CC2)C1 ZINC001408353138 1165608426 /nfs/dbraw/zinc/60/84/26/1165608426.db2.gz IIQTWFPIINLNBB-DOTOQJQBSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)C[C@H](C)OC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001414303258 1165786578 /nfs/dbraw/zinc/78/65/78/1165786578.db2.gz VJYDGLNBQWBWQI-GJZGRUSLSA-N 1 3 301.475 2.419 20 0 DEADHO CC(C)C[C@H](C)OC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001414303258 1165786593 /nfs/dbraw/zinc/78/65/93/1165786593.db2.gz VJYDGLNBQWBWQI-GJZGRUSLSA-N 1 3 301.475 2.419 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CC1)N(C)C ZINC001418166423 1167454895 /nfs/dbraw/zinc/45/48/95/1167454895.db2.gz WFUPGEPVSLRPHV-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1CCC1CC1)N(C)C ZINC001418166423 1167454898 /nfs/dbraw/zinc/45/48/98/1167454898.db2.gz WFUPGEPVSLRPHV-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CC1CC(C)(C)C1 ZINC001419842787 1168870003 /nfs/dbraw/zinc/87/00/03/1168870003.db2.gz CYLMAGBFFBSABL-AWEZNQCLSA-N 1 3 311.514 2.495 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCc2ccc(F)cc21)N(C)C ZINC001420433377 1169542487 /nfs/dbraw/zinc/54/24/87/1169542487.db2.gz MMWDJUSRXKKYPB-AFAVFJNCSA-N 1 3 321.440 2.248 20 0 DEADHO C[C@@H](C[NH2+]Cc1ccc(Cl)cc1)NC(=O)CN1CC[C@H](C)C1 ZINC001420467386 1169605549 /nfs/dbraw/zinc/60/55/49/1169605549.db2.gz HLKZLNFVBMKAPO-KBPBESRZSA-N 1 3 323.868 2.276 20 0 DEADHO CCC[N@H+](C)CCC(=O)NC[C@H]1CCN(CCC(F)(F)F)C1 ZINC001420552793 1169784685 /nfs/dbraw/zinc/78/46/85/1169784685.db2.gz CNJKLQXBTRWTRS-CYBMUJFWSA-N 1 3 323.403 2.109 20 0 DEADHO CCC[N@@H+](C)CCC(=O)NC[C@H]1CCN(CCC(F)(F)F)C1 ZINC001420552793 1169784697 /nfs/dbraw/zinc/78/46/97/1169784697.db2.gz CNJKLQXBTRWTRS-CYBMUJFWSA-N 1 3 323.403 2.109 20 0 DEADHO C[C@@H](NC[C@@H](NC(=O)CC[NH+](C)C)C1CC1)c1ccccc1F ZINC001420769855 1171135287 /nfs/dbraw/zinc/13/52/87/1171135287.db2.gz OMAQUJDIMNYPAY-CXAGYDPISA-N 1 3 321.440 2.323 20 0 DEADHO CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC=C(Cl)Cl ZINC001421471590 1171812915 /nfs/dbraw/zinc/81/29/15/1171812915.db2.gz RMVJXGCYWLKRJU-NEPJUHHUSA-N 1 3 322.280 2.132 20 0 DEADHO CC[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC=C(Cl)Cl ZINC001421471590 1171812917 /nfs/dbraw/zinc/81/29/17/1171812917.db2.gz RMVJXGCYWLKRJU-NEPJUHHUSA-N 1 3 322.280 2.132 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC1CC1)C2 ZINC001421514463 1171829370 /nfs/dbraw/zinc/82/93/70/1171829370.db2.gz HMKILLLNTHLCCS-BBWFWOEESA-N 1 3 307.482 2.096 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC1CC1)C2 ZINC001421514463 1171829377 /nfs/dbraw/zinc/82/93/77/1171829377.db2.gz HMKILLLNTHLCCS-BBWFWOEESA-N 1 3 307.482 2.096 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001421759600 1171970681 /nfs/dbraw/zinc/97/06/81/1171970681.db2.gz OLZVZPQICSQBGS-RDJZCZTQSA-N 1 3 323.525 2.495 20 0 DEADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NCc1ccccc1Cl ZINC001422068823 1172271784 /nfs/dbraw/zinc/27/17/84/1172271784.db2.gz UWUUDSPJUCEKSE-CJNGLKHVSA-N 1 3 323.868 2.228 20 0 DEADHO CN(CC(=O)N[C@@H]1CC[N@H+](CCC2CC2)CC1(C)C)C1CCC1 ZINC001422077586 1172282407 /nfs/dbraw/zinc/28/24/07/1172282407.db2.gz AIZJEQAOMKHENQ-QGZVFWFLSA-N 1 3 321.509 2.488 20 0 DEADHO CN(CC(=O)N[C@@H]1CC[N@@H+](CCC2CC2)CC1(C)C)C1CCC1 ZINC001422077586 1172282424 /nfs/dbraw/zinc/28/24/24/1172282424.db2.gz AIZJEQAOMKHENQ-QGZVFWFLSA-N 1 3 321.509 2.488 20 0 DEADHO CN(CC(=O)N[C@H]1CC[N@H+](CCC2CC2)CC1(C)C)C1CCC1 ZINC001422077585 1172283013 /nfs/dbraw/zinc/28/30/13/1172283013.db2.gz AIZJEQAOMKHENQ-KRWDZBQOSA-N 1 3 321.509 2.488 20 0 DEADHO CN(CC(=O)N[C@H]1CC[N@@H+](CCC2CC2)CC1(C)C)C1CCC1 ZINC001422077585 1172283019 /nfs/dbraw/zinc/28/30/19/1172283019.db2.gz AIZJEQAOMKHENQ-KRWDZBQOSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1cc(C)cc(C[N@@H+](C)CCN(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001422154480 1172352548 /nfs/dbraw/zinc/35/25/48/1172352548.db2.gz ZGWWOCPASOYXTR-SFHVURJKSA-N 1 3 317.477 2.288 20 0 DEADHO Cc1cc(C)cc(C[N@H+](C)CCN(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001422154480 1172352551 /nfs/dbraw/zinc/35/25/51/1172352551.db2.gz ZGWWOCPASOYXTR-SFHVURJKSA-N 1 3 317.477 2.288 20 0 DEADHO CCc1ccccc1C[NH2+]C[C@H](C)NC(=O)[C@H](CC)N(C)C ZINC001422696962 1172815373 /nfs/dbraw/zinc/81/53/73/1172815373.db2.gz OKFFHVMNQNOIEU-YOEHRIQHSA-N 1 3 305.466 2.184 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)C1C[NH+](CCC(C)(C)C)C1)N(C)C ZINC001422733650 1172834911 /nfs/dbraw/zinc/83/49/11/1172834911.db2.gz QJNWEYLRHHJWAB-ZBFHGGJFSA-N 1 3 311.514 2.445 20 0 DEADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC(N(C)C/C=C\Cl)CC2)C1 ZINC001422929439 1172950186 /nfs/dbraw/zinc/95/01/86/1172950186.db2.gz UIOCAZDREVUHBI-NMNMAYGDSA-N 1 3 313.873 2.004 20 0 DEADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC(N(C)C/C=C\Cl)CC2)C1 ZINC001422929439 1172950196 /nfs/dbraw/zinc/95/01/96/1172950196.db2.gz UIOCAZDREVUHBI-NMNMAYGDSA-N 1 3 313.873 2.004 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]CCc2ccc(C)cc2)CC1)N(C)C ZINC001423291434 1173208658 /nfs/dbraw/zinc/20/86/58/1173208658.db2.gz FBCCZJNIJUSUJQ-KRWDZBQOSA-N 1 3 317.477 2.116 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC2CCCCC2)[C@@H]1C ZINC001423322801 1173238077 /nfs/dbraw/zinc/23/80/77/1173238077.db2.gz FGHQDUPFWLZTKC-DOTOQJQBSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001423672183 1173480945 /nfs/dbraw/zinc/48/09/45/1173480945.db2.gz DCQKJLBUKBEYKP-OFLPRAFFSA-N 1 3 321.440 2.245 20 0 DEADHO CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(C)cc2)C1)N(C)C ZINC001423690433 1173492922 /nfs/dbraw/zinc/49/29/22/1173492922.db2.gz RXNJARVEMOQZSG-DAWZGUTISA-N 1 3 317.477 2.414 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001424087324 1173648527 /nfs/dbraw/zinc/64/85/27/1173648527.db2.gz REQYSCIIFHKJAV-JYJNAYRXSA-N 1 3 315.477 2.339 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)CC1CC2(CCC2)C1 ZINC001424950897 1174052944 /nfs/dbraw/zinc/05/29/44/1174052944.db2.gz VHABLYWGGMUEQK-OAHLLOKOSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)CC1CC2(CCC2)C1 ZINC001424950897 1174052948 /nfs/dbraw/zinc/05/29/48/1174052948.db2.gz VHABLYWGGMUEQK-OAHLLOKOSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@H](CCN(C)C(=O)Cc1c[nH]cn1)[NH2+]C/C=C/Cl ZINC001425146577 1174195681 /nfs/dbraw/zinc/19/56/81/1174195681.db2.gz DBAALNCUEKRXPL-YVZNUBBCSA-N 1 3 312.845 2.167 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21)N(C)C ZINC001425374901 1174299994 /nfs/dbraw/zinc/29/99/94/1174299994.db2.gz JTVWEFWDEFKXRB-WCXIOVBPSA-N 1 3 323.525 2.303 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21)N(C)C ZINC001425374901 1174300002 /nfs/dbraw/zinc/30/00/02/1174300002.db2.gz JTVWEFWDEFKXRB-WCXIOVBPSA-N 1 3 323.525 2.303 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)[C@H]1C ZINC001425880027 1174493619 /nfs/dbraw/zinc/49/36/19/1174493619.db2.gz BFGSJOMDYBNGNF-NVXWUHKLSA-N 1 3 321.509 2.486 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@H](NC(=O)CN(C)C(C)C)C(C)(C)C ZINC001426166712 1174626464 /nfs/dbraw/zinc/62/64/64/1174626464.db2.gz OHYCRBCTEWSDRV-KBPBESRZSA-N 1 3 303.466 2.195 20 0 DEADHO CCCN(C)CC(=O)NCc1ccc(C[NH2+]C(C)C)cc1F ZINC001426249971 1174668713 /nfs/dbraw/zinc/66/87/13/1174668713.db2.gz AIKQFVFEOKMBCI-UHFFFAOYSA-N 1 3 309.429 2.282 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CCCCN1C ZINC001426954514 1174895954 /nfs/dbraw/zinc/89/59/54/1174895954.db2.gz MJXFOPYNOFYZBY-JKSUJKDBSA-N 1 3 310.486 2.034 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1CCCCN1C ZINC001426954514 1174895956 /nfs/dbraw/zinc/89/59/56/1174895956.db2.gz MJXFOPYNOFYZBY-JKSUJKDBSA-N 1 3 310.486 2.034 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC[C@H](C)F)C1 ZINC001436344939 1179054767 /nfs/dbraw/zinc/05/47/67/1179054767.db2.gz NSRVNAQXYAHJFH-JONQDZQNSA-N 1 3 313.461 2.092 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](Cc1ccc(C)cc1)C1CC1)N(C)C ZINC001437790314 1179992282 /nfs/dbraw/zinc/99/22/82/1179992282.db2.gz GCTBVHIIVAPQIA-GOSISDBHSA-N 1 3 317.477 2.416 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](Cc1ccc(C)cc1)C1CC1)N(C)C ZINC001437790314 1179992288 /nfs/dbraw/zinc/99/22/88/1179992288.db2.gz GCTBVHIIVAPQIA-GOSISDBHSA-N 1 3 317.477 2.416 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@@H]1CC[N@H+](C/C=C\Cl)C1)N(C)C ZINC001437929807 1180085601 /nfs/dbraw/zinc/08/56/01/1180085601.db2.gz ITXSFYLWNVBKLP-PNPSXAPQSA-N 1 3 315.889 2.153 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](C/C=C\Cl)C1)N(C)C ZINC001437929807 1180085606 /nfs/dbraw/zinc/08/56/06/1180085606.db2.gz ITXSFYLWNVBKLP-PNPSXAPQSA-N 1 3 315.889 2.153 20 0 DEADHO CC(C)C[NH2+]C[C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001438533614 1180561397 /nfs/dbraw/zinc/56/13/97/1180561397.db2.gz UFIVNUOWMOCIPT-WMLDXEAASA-N 1 3 315.477 2.197 20 0 DEADHO CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001438733244 1180800529 /nfs/dbraw/zinc/80/05/29/1180800529.db2.gz JOWMKEDVJZHXHP-PBHICJAKSA-N 1 3 315.477 2.339 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)CC[N@H+](C)CC2CC(C)(C)C2)C1 ZINC001438914438 1180849085 /nfs/dbraw/zinc/84/90/85/1180849085.db2.gz CMONOTGTZSMUMU-OAHLLOKOSA-N 1 3 309.498 2.155 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)CC[N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001438914438 1180849087 /nfs/dbraw/zinc/84/90/87/1180849087.db2.gz CMONOTGTZSMUMU-OAHLLOKOSA-N 1 3 309.498 2.155 20 0 DEADHO CCc1ccc(C[N@@H+](C)CCN(C)C(=O)[C@@H](CC)N(C)C)cc1 ZINC001438927847 1180853447 /nfs/dbraw/zinc/85/34/47/1180853447.db2.gz LILSVNFUHMEZOY-GOSISDBHSA-N 1 3 319.493 2.479 20 0 DEADHO CCc1ccc(C[N@H+](C)CCN(C)C(=O)[C@@H](CC)N(C)C)cc1 ZINC001438927847 1180853448 /nfs/dbraw/zinc/85/34/48/1180853448.db2.gz LILSVNFUHMEZOY-GOSISDBHSA-N 1 3 319.493 2.479 20 0 DEADHO Cc1cc(C)cc(C[NH2+]C[C@@H](C)NC(=O)CN2CC[C@@H](C)C2)c1 ZINC001439155037 1180900523 /nfs/dbraw/zinc/90/05/23/1180900523.db2.gz RUARQFNCOHITPO-RHSMWYFYSA-N 1 3 317.477 2.240 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001439249725 1180966498 /nfs/dbraw/zinc/96/64/98/1180966498.db2.gz PKWGDKHJOIRLTF-GOEBONIOSA-N 1 3 309.498 2.247 20 0 DEADHO CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001440485395 1181550459 /nfs/dbraw/zinc/55/04/59/1181550459.db2.gz UAKASUGUDJFNKR-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001440485395 1181550465 /nfs/dbraw/zinc/55/04/65/1181550465.db2.gz UAKASUGUDJFNKR-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001440485438 1181550777 /nfs/dbraw/zinc/55/07/77/1181550777.db2.gz UAKASUGUDJFNKR-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001440485438 1181550789 /nfs/dbraw/zinc/55/07/89/1181550789.db2.gz UAKASUGUDJFNKR-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CCC1([NH2+]CC2CC(C)C2)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001440520987 1181578426 /nfs/dbraw/zinc/57/84/26/1181578426.db2.gz KBVBNZAPLVWGBH-JCYILVPMSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H](C)[C@H](C)NC(=O)CN(C)C(C)C ZINC001440863894 1181736481 /nfs/dbraw/zinc/73/64/81/1181736481.db2.gz WQGKNSATZGAPGA-HOTGVXAUSA-N 1 3 305.466 2.318 20 0 DEADHO CC[C@H](C)C[NH+]1CCC(N(C)C(=O)C2(N(C)C)CCC2)CC1 ZINC001440982577 1181811333 /nfs/dbraw/zinc/81/13/33/1181811333.db2.gz DTRQQOFKMHLNBL-HNNXBMFYSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H](NC(=O)CC[NH+](C)C)C1CN([C@H](C)c2ccccc2)C1 ZINC001441179228 1181884718 /nfs/dbraw/zinc/88/47/18/1181884718.db2.gz LARCRCBNPPJYTR-HUUCEWRRSA-N 1 3 303.450 2.136 20 0 DEADHO NCC1(C[NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)CCC1 ZINC001580243482 1181896115 /nfs/dbraw/zinc/89/61/15/1181896115.db2.gz IBZYXJYOCGQZFO-GFCCVEGCSA-N 1 3 321.387 2.039 20 0 DEADHO [NH3+]CC1(CN[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)CCC1 ZINC001580243482 1181896121 /nfs/dbraw/zinc/89/61/21/1181896121.db2.gz IBZYXJYOCGQZFO-GFCCVEGCSA-N 1 3 321.387 2.039 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001441382855 1181966756 /nfs/dbraw/zinc/96/67/56/1181966756.db2.gz GKWDRILASLFFJG-QAQDUYKDSA-N 1 3 315.461 2.216 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(CC)cc2)C1 ZINC001441422239 1181986236 /nfs/dbraw/zinc/98/62/36/1181986236.db2.gz UNWCQJMZYVRZAT-IYARVYRRSA-N 1 3 317.477 2.328 20 0 DEADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)C1)C1CCC1 ZINC001441485493 1182018832 /nfs/dbraw/zinc/01/88/32/1182018832.db2.gz FZDMMBKTKZHGNL-IYBDPMFKSA-N 1 3 319.424 2.047 20 0 DEADHO CC[C@@H](C(=O)NC1CCC([NH2+]Cc2ccns2)CC1)N(C)C ZINC001441731833 1182139546 /nfs/dbraw/zinc/13/95/46/1182139546.db2.gz DUIVAKGTSTZZHJ-PIMMBPRGSA-N 1 3 324.494 2.000 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccccc2)C[C@@H]1C ZINC001441880725 1182230950 /nfs/dbraw/zinc/23/09/50/1182230950.db2.gz SXSFBUHPSLBKKJ-RDJZCZTQSA-N 1 3 303.450 2.107 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)[C@H](C(C)C)[NH+](C)C)cc1C ZINC001442414820 1182461668 /nfs/dbraw/zinc/46/16/68/1182461668.db2.gz GIJZJLFTNFXNGC-SFHVURJKSA-N 1 3 319.493 2.438 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](C)Cc1cccc(C)c1 ZINC001442617214 1182574744 /nfs/dbraw/zinc/57/47/44/1182574744.db2.gz ICCPJRRVIICZPV-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](C)Cc1cccc(C)c1 ZINC001442617214 1182574761 /nfs/dbraw/zinc/57/47/61/1182574761.db2.gz ICCPJRRVIICZPV-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO CCC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001443223861 1182886396 /nfs/dbraw/zinc/88/63/96/1182886396.db2.gz YINCFQUFKZADQJ-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CCC[N@H+]1CC[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001443223861 1182886399 /nfs/dbraw/zinc/88/63/99/1182886399.db2.gz YINCFQUFKZADQJ-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CN(C)C1(C(=O)NCC[C@H]2CC[N@H+](C/C=C\Cl)C2)CCC1 ZINC001443258484 1182895753 /nfs/dbraw/zinc/89/57/53/1182895753.db2.gz YKDZQBOCHUZQMW-DFGFTWQDSA-N 1 3 313.873 2.051 20 0 DEADHO CN(C)C1(C(=O)NCC[C@H]2CC[N@@H+](C/C=C\Cl)C2)CCC1 ZINC001443258484 1182895756 /nfs/dbraw/zinc/89/57/56/1182895756.db2.gz YKDZQBOCHUZQMW-DFGFTWQDSA-N 1 3 313.873 2.051 20 0 DEADHO Cc1ccc(C)c(C[NH2+]C[C@H](C)CNC(=O)CN(C)C(C)C)c1 ZINC001444435006 1183388045 /nfs/dbraw/zinc/38/80/45/1183388045.db2.gz IRZRBMHWWLXMKR-INIZCTEOSA-N 1 3 319.493 2.486 20 0 DEADHO C[C@@H](C[NH2+][C@@H]1CCc2ccccc21)N(C)C(=O)Cc1c[nH]cn1 ZINC001444677225 1183513630 /nfs/dbraw/zinc/51/36/30/1183513630.db2.gz DRCFXWVYDKKHPS-SUMWQHHRSA-N 1 3 312.417 2.076 20 0 DEADHO CC(C)[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]C/C=C/Cl ZINC001444918328 1183645795 /nfs/dbraw/zinc/64/57/95/1183645795.db2.gz VWSKOEYFSXJKNM-HSBSLETESA-N 1 3 317.905 2.447 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001445392110 1183859663 /nfs/dbraw/zinc/85/96/63/1183859663.db2.gz YYUIQJIDBPYPSN-CQSZACIVSA-N 1 3 321.440 2.213 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@H](C)c1cccc(F)c1)N(C)C ZINC001445395022 1183860498 /nfs/dbraw/zinc/86/04/98/1183860498.db2.gz PDODHCPDPJJQJW-XJKCOSOUSA-N 1 3 309.429 2.321 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCCc2ccccc21)N(C)C ZINC001445603246 1183929931 /nfs/dbraw/zinc/92/99/31/1183929931.db2.gz COQQDGSGWJENID-WBAXXEDZSA-N 1 3 317.477 2.499 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC1CC1 ZINC001445820791 1184073235 /nfs/dbraw/zinc/07/32/35/1184073235.db2.gz VARUMQQJAJGSSQ-DOTOQJQBSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC1CC1 ZINC001445820791 1184073246 /nfs/dbraw/zinc/07/32/46/1184073246.db2.gz VARUMQQJAJGSSQ-DOTOQJQBSA-N 1 3 309.498 2.486 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CC2CCCC2)C1 ZINC001446940776 1184584755 /nfs/dbraw/zinc/58/47/55/1184584755.db2.gz KOYYOXMKQWHNAD-DOTOQJQBSA-N 1 3 309.498 2.203 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@H+](C[C@H](F)CC)CC1 ZINC001447322325 1184723246 /nfs/dbraw/zinc/72/32/46/1184723246.db2.gz QVZTTWBUTPCPIJ-HUUCEWRRSA-N 1 3 301.450 2.047 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@@H+](C[C@H](F)CC)CC1 ZINC001447322325 1184723254 /nfs/dbraw/zinc/72/32/54/1184723254.db2.gz QVZTTWBUTPCPIJ-HUUCEWRRSA-N 1 3 301.450 2.047 20 0 DEADHO CC[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1cccnc1C)N(C)C ZINC001447359897 1184742390 /nfs/dbraw/zinc/74/23/90/1184742390.db2.gz SNWXZXMTSFTPRB-KRWDZBQOSA-N 1 3 320.481 2.011 20 0 DEADHO CC[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1cccnc1C)N(C)C ZINC001447359897 1184742397 /nfs/dbraw/zinc/74/23/97/1184742397.db2.gz SNWXZXMTSFTPRB-KRWDZBQOSA-N 1 3 320.481 2.011 20 0 DEADHO CN(C)C1(C(=O)N(C)CC(C)(C)C[NH2+]CC2CCC2)CCC1 ZINC001447974159 1184987066 /nfs/dbraw/zinc/98/70/66/1184987066.db2.gz OQZZHJNUFRNHOH-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]C/C=C\Cl ZINC001448557024 1185292075 /nfs/dbraw/zinc/29/20/75/1185292075.db2.gz BNNLAFUJZYBCHE-FEGLDZKKSA-N 1 3 315.889 2.201 20 0 DEADHO CC(C)N(CC[N@H+](C)CC1CCCC1)C(=O)Cc1c[nH]cn1 ZINC001449265291 1185599955 /nfs/dbraw/zinc/59/99/55/1185599955.db2.gz HSOFGLYVYBKWKO-UHFFFAOYSA-N 1 3 306.454 2.311 20 0 DEADHO CC(C)N(CC[N@@H+](C)CC1CCCC1)C(=O)Cc1c[nH]cn1 ZINC001449265291 1185599965 /nfs/dbraw/zinc/59/99/65/1185599965.db2.gz HSOFGLYVYBKWKO-UHFFFAOYSA-N 1 3 306.454 2.311 20 0 DEADHO CCC[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C(F)(F)F ZINC001449367685 1185680521 /nfs/dbraw/zinc/68/05/21/1185680521.db2.gz MUDUVKAOOOCYBR-OLZOCXBDSA-N 1 3 323.403 2.106 20 0 DEADHO CN(C)Cc1ccnc(N2CC3(C2)CC[N@H+](CC2CC2)C3)c1 ZINC001164774523 721300731 /nfs/dbraw/zinc/30/07/31/721300731.db2.gz DZACBBVBPIUNII-UHFFFAOYSA-N 1 3 300.450 2.065 20 0 DEADHO CN(C)Cc1ccnc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)c1 ZINC001164774523 721300735 /nfs/dbraw/zinc/30/07/35/721300735.db2.gz DZACBBVBPIUNII-UHFFFAOYSA-N 1 3 300.450 2.065 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1)N(C)C ZINC001370684162 1149827135 /nfs/dbraw/zinc/82/71/35/1149827135.db2.gz WOILTGWDNSFLLK-SIXLDLHFSA-N 1 3 303.450 2.325 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001408252952 1165549178 /nfs/dbraw/zinc/54/91/78/1165549178.db2.gz QVLHTIPMAABJRT-AWEZNQCLSA-N 1 3 309.429 2.150 20 0 DEADHO CC(C)(C(=O)NCC[NH2+]CCCCCF)N1CCCCC1 ZINC001127322442 782655935 /nfs/dbraw/zinc/65/59/35/782655935.db2.gz PEVJNWRKIDUDLU-UHFFFAOYSA-N 1 3 301.450 2.097 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001106340355 782662400 /nfs/dbraw/zinc/66/24/00/782662400.db2.gz TZUXMCRPRAQJQQ-RBSFLKMASA-N 1 3 315.477 2.149 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]CCCF ZINC001106672762 782845103 /nfs/dbraw/zinc/84/51/03/782845103.db2.gz JJRWSQCQBPOTKJ-HUUCEWRRSA-N 1 3 315.477 2.008 20 0 DEADHO CC(C)=CC[N@H+]1CC=C(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001333433353 1150049318 /nfs/dbraw/zinc/04/93/18/1150049318.db2.gz NVYMAAZQEKBFEZ-KRWDZBQOSA-N 1 3 307.482 2.287 20 0 DEADHO CC(C)=CC[N@@H+]1CC=C(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001333433353 1150049320 /nfs/dbraw/zinc/04/93/20/1150049320.db2.gz NVYMAAZQEKBFEZ-KRWDZBQOSA-N 1 3 307.482 2.287 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[N@H+](CC1CCCCC1)C2 ZINC001073016024 790387712 /nfs/dbraw/zinc/38/77/12/790387712.db2.gz FTHJHEMDPWDOJF-UHFFFAOYSA-N 1 3 316.449 2.067 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[N@@H+](CC1CCCCC1)C2 ZINC001073016024 790387725 /nfs/dbraw/zinc/38/77/25/790387725.db2.gz FTHJHEMDPWDOJF-UHFFFAOYSA-N 1 3 316.449 2.067 20 0 DEADHO CC(C)[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C ZINC001075332381 776551515 /nfs/dbraw/zinc/55/15/15/776551515.db2.gz ATTMVTRKHHILGR-HOTGVXAUSA-N 1 3 309.498 2.201 20 0 DEADHO CCN1CC2(CC1=O)CC[NH+](CCCN1CCCCC1)CC2 ZINC001209452976 776723782 /nfs/dbraw/zinc/72/37/82/776723782.db2.gz AYMSOCXMZPFDAX-UHFFFAOYSA-N 1 3 307.482 2.197 20 0 DEADHO CC(C)CC[NH2+]CC1(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001167224472 776780374 /nfs/dbraw/zinc/78/03/74/776780374.db2.gz KVFHRSJXIHORMX-MRXNPFEDSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC2(C[NH2+]CCC3CC3)CC2)C1 ZINC001167233026 776786752 /nfs/dbraw/zinc/78/67/52/776786752.db2.gz YPMIZTICBLBFQI-HNNXBMFYSA-N 1 3 307.482 2.004 20 0 DEADHO CCCC[NH2+]CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001104287583 776898292 /nfs/dbraw/zinc/89/82/92/776898292.db2.gz HYGYCUKOLIWJBK-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001203202825 776987582 /nfs/dbraw/zinc/98/75/82/776987582.db2.gz BKUWZDCSAMNIJO-ZRDIBKRKSA-N 1 3 322.280 2.228 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001203202825 776987590 /nfs/dbraw/zinc/98/75/90/776987590.db2.gz BKUWZDCSAMNIJO-ZRDIBKRKSA-N 1 3 322.280 2.228 20 0 DEADHO C[C@H](C(=O)NCC1CC([NH2+]CCCF)C1)N1CCCCCC1 ZINC001100731879 777973766 /nfs/dbraw/zinc/97/37/66/777973766.db2.gz KALSVYDOGNIACW-QQFBHYJXSA-N 1 3 313.461 2.095 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC[C@H](C)F)C1 ZINC001104809665 778191586 /nfs/dbraw/zinc/19/15/86/778191586.db2.gz MTHZKUAWQVKKGC-OWCLPIDISA-N 1 3 315.477 2.151 20 0 DEADHO CC[NH2+]CC[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001105063851 778321020 /nfs/dbraw/zinc/32/10/20/778321020.db2.gz JOKRSOMAGMUHQB-HZPDHXFCSA-N 1 3 317.477 2.456 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(C)C)C1)N(C)C ZINC001112531121 778647413 /nfs/dbraw/zinc/64/74/13/778647413.db2.gz GOZAGTRDDPKVSH-BQFCYCMXSA-N 1 3 309.498 2.201 20 0 DEADHO CC[NH+](CC)CCC[C@@H](C)N1CCN(c2ccncn2)CC1 ZINC001167840748 778701141 /nfs/dbraw/zinc/70/11/41/778701141.db2.gz IGGGMBODLHXCLK-MRXNPFEDSA-N 1 3 305.470 2.109 20 0 DEADHO CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167994134 779213411 /nfs/dbraw/zinc/21/34/11/779213411.db2.gz XAYSBGIUBIOTAS-ZFHLEULCSA-N 1 3 317.477 2.087 20 0 DEADHO CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167994134 779213412 /nfs/dbraw/zinc/21/34/12/779213412.db2.gz XAYSBGIUBIOTAS-ZFHLEULCSA-N 1 3 317.477 2.087 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001075779443 779219449 /nfs/dbraw/zinc/21/94/49/779219449.db2.gz KEEIHYKTLGDRCS-GVDBMIGSSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001075779443 779219457 /nfs/dbraw/zinc/21/94/57/779219457.db2.gz KEEIHYKTLGDRCS-GVDBMIGSSA-N 1 3 307.482 2.048 20 0 DEADHO CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001112536048 779222352 /nfs/dbraw/zinc/22/23/52/779222352.db2.gz NMLLNVKBRLERFG-YJBOKZPZSA-N 1 3 318.465 2.361 20 0 DEADHO O=C1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C[C@H]2CCCN12 ZINC001168001409 779245618 /nfs/dbraw/zinc/24/56/18/779245618.db2.gz BISSHMCGEUQZBC-SOABOVLPSA-N 1 3 317.477 2.089 20 0 DEADHO O=C1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@H]2CCCN12 ZINC001168001409 779245624 /nfs/dbraw/zinc/24/56/24/779245624.db2.gz BISSHMCGEUQZBC-SOABOVLPSA-N 1 3 317.477 2.089 20 0 DEADHO O=C1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C[C@H]2CCCN12 ZINC001168001409 779245626 /nfs/dbraw/zinc/24/56/26/779245626.db2.gz BISSHMCGEUQZBC-SOABOVLPSA-N 1 3 317.477 2.089 20 0 DEADHO O=C1CC[N@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C[C@H]2CCCN12 ZINC001168001409 779245634 /nfs/dbraw/zinc/24/56/34/779245634.db2.gz BISSHMCGEUQZBC-SOABOVLPSA-N 1 3 317.477 2.089 20 0 DEADHO C[C@@H]1CC([NH2+]CC(=O)N(C)C)C[C@@H](C)N1Cc1ccccc1 ZINC001168006289 779274767 /nfs/dbraw/zinc/27/47/67/779274767.db2.gz MTHWKYWNIYQHPL-HUUCEWRRSA-N 1 3 303.450 2.106 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@H]2[N@H+](CC)CC23CCC3)CC1 ZINC001105396596 779378069 /nfs/dbraw/zinc/37/80/69/779378069.db2.gz QCDXANMOOQDZRD-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@H]2[N@@H+](CC)CC23CCC3)CC1 ZINC001105396596 779378071 /nfs/dbraw/zinc/37/80/71/779378071.db2.gz QCDXANMOOQDZRD-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CNC(=O)CCNC1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168019420 779398811 /nfs/dbraw/zinc/39/88/11/779398811.db2.gz IWJWKMLGSXNTGS-GJZGRUSLSA-N 1 3 303.450 2.154 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCN(C)CC2)CCO1 ZINC001168073325 779845706 /nfs/dbraw/zinc/84/57/06/779845706.db2.gz CCNSJNUADPZARC-VQIMIIECSA-N 1 3 317.477 2.091 20 0 DEADHO CC(C)C[NH2+][C@@H]1CCCCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001088382180 780052860 /nfs/dbraw/zinc/05/28/60/780052860.db2.gz WEWQCRDQOPMONJ-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO C[NH+](C)C1CCC(N2CCN(Cc3ccccn3)CC2)CC1 ZINC001168318616 780834087 /nfs/dbraw/zinc/83/40/87/780834087.db2.gz DOIDKUNHAJOVEB-UHFFFAOYSA-N 1 3 302.466 2.072 20 0 DEADHO CC1(N2CCOCC2)CC[NH+](C2CCN(CC3CC3)CC2)CC1 ZINC001168387358 781773837 /nfs/dbraw/zinc/77/38/37/781773837.db2.gz FMOMIVRXOFQLAV-UHFFFAOYSA-N 1 3 321.509 2.048 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[C@H]1NCCF ZINC001085225334 783590772 /nfs/dbraw/zinc/59/07/72/783590772.db2.gz RMVNEKVIQNUTIP-BZUAXINKSA-N 1 3 313.461 2.236 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[C@H]1NCCF ZINC001085225334 783590780 /nfs/dbraw/zinc/59/07/80/783590780.db2.gz RMVNEKVIQNUTIP-BZUAXINKSA-N 1 3 313.461 2.236 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC(C)C2)C1 ZINC001086102442 784410313 /nfs/dbraw/zinc/41/03/13/784410313.db2.gz XMJVNKJDQNCJRB-KWXGJIJISA-N 1 3 321.509 2.391 20 0 DEADHO CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968673328 784533939 /nfs/dbraw/zinc/53/39/39/784533939.db2.gz JMDLSHUMGPPGHR-RHSMWYFYSA-N 1 3 303.450 2.208 20 0 DEADHO CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968673328 784533943 /nfs/dbraw/zinc/53/39/43/784533943.db2.gz JMDLSHUMGPPGHR-RHSMWYFYSA-N 1 3 303.450 2.208 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC2)C1 ZINC001086278799 784538341 /nfs/dbraw/zinc/53/83/41/784538341.db2.gz ORZLALBLVRCVBX-WOVMCDHWSA-N 1 3 315.461 2.256 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCc3ccsc3)C2)CC[N@@H+]1C ZINC000968737730 784564702 /nfs/dbraw/zinc/56/47/02/784564702.db2.gz FUUAFQJYHBQAJT-OWCLPIDISA-N 1 3 321.490 2.169 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCc3ccsc3)C2)CC[N@H+]1C ZINC000968737730 784564707 /nfs/dbraw/zinc/56/47/07/784564707.db2.gz FUUAFQJYHBQAJT-OWCLPIDISA-N 1 3 321.490 2.169 20 0 DEADHO Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c1 ZINC000968912827 784646613 /nfs/dbraw/zinc/64/66/13/784646613.db2.gz UABRGEBEBWMPPH-QZTJIDSGSA-N 1 3 315.461 2.026 20 0 DEADHO CCc1ccccc1C[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000969074877 784716055 /nfs/dbraw/zinc/71/60/55/784716055.db2.gz XPQLTFIEWJUQMY-QZTJIDSGSA-N 1 3 317.477 2.280 20 0 DEADHO CCCN1C[C@@H]2C[N@H+]([C@H]3CCCN(C(=O)OCC)CC3)C[C@@H]2C1 ZINC001169702323 785314628 /nfs/dbraw/zinc/31/46/28/785314628.db2.gz BPEAQZJDGCKPHY-BBWFWOEESA-N 1 3 323.481 2.271 20 0 DEADHO CCCN1C[C@@H]2C[N@@H+]([C@H]3CCCN(C(=O)OCC)CC3)C[C@@H]2C1 ZINC001169702323 785314634 /nfs/dbraw/zinc/31/46/34/785314634.db2.gz BPEAQZJDGCKPHY-BBWFWOEESA-N 1 3 323.481 2.271 20 0 DEADHO Cc1ccccc1CN1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001009506600 785468401 /nfs/dbraw/zinc/46/84/01/785468401.db2.gz DMILKPCGNDNPST-ZWKOTPCHSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccccc1CN1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001009506600 785468406 /nfs/dbraw/zinc/46/84/06/785468406.db2.gz DMILKPCGNDNPST-ZWKOTPCHSA-N 1 3 315.461 2.027 20 0 DEADHO CC[C@H]([NH2+]CCNC(=O)C1(N(C)C)CCC1)c1ccccc1 ZINC001129363470 785536713 /nfs/dbraw/zinc/53/67/13/785536713.db2.gz GPRKDAQDCPAVEE-INIZCTEOSA-N 1 3 303.450 2.328 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001014631052 786668132 /nfs/dbraw/zinc/66/81/32/786668132.db2.gz ODAXBFNLJJOELV-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001014631052 786668135 /nfs/dbraw/zinc/66/81/35/786668135.db2.gz ODAXBFNLJJOELV-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCN(CC=C(C)C)C2)C1 ZINC001015596789 787127829 /nfs/dbraw/zinc/12/78/29/787127829.db2.gz HFONQIMANIJVPR-SJORKVTESA-N 1 3 307.482 2.265 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCN(CC=C(C)C)C2)C1 ZINC001015596789 787127838 /nfs/dbraw/zinc/12/78/38/787127838.db2.gz HFONQIMANIJVPR-SJORKVTESA-N 1 3 307.482 2.265 20 0 DEADHO Cc1cc(Cl)ccc1C[NH2+]CCNC(=O)[C@H](C1CC1)N(C)C ZINC001129435938 787213126 /nfs/dbraw/zinc/21/31/26/787213126.db2.gz KBIIRTYVDDEQFU-INIZCTEOSA-N 1 3 323.868 2.194 20 0 DEADHO Cc1ccc(F)cc1CNCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129856577 787251426 /nfs/dbraw/zinc/25/14/26/787251426.db2.gz UTJWKWWPNVBROF-KRWDZBQOSA-N 1 3 321.440 2.214 20 0 DEADHO Cc1ccc(F)cc1CNCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129856577 787251433 /nfs/dbraw/zinc/25/14/33/787251433.db2.gz UTJWKWWPNVBROF-KRWDZBQOSA-N 1 3 321.440 2.214 20 0 DEADHO Cc1cccc([C@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001129950580 787262841 /nfs/dbraw/zinc/26/28/41/787262841.db2.gz WTELLMKAQRPOKT-RDJZCZTQSA-N 1 3 305.466 2.348 20 0 DEADHO C[C@@H](Nc1ccc2c(c1)C1(CC2)CC[NH2+]CC1)[C@H]1CNCCO1 ZINC001170566174 787640572 /nfs/dbraw/zinc/64/05/72/787640572.db2.gz DUNZUAUGVOKQLG-RDTXWAMCSA-N 1 3 315.461 2.043 20 0 DEADHO Cc1ccc(CN2C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]2C)cc1 ZINC001132274493 788006174 /nfs/dbraw/zinc/00/61/74/788006174.db2.gz VECLMXQZISSYQS-WMZOPIPTSA-N 1 3 317.477 2.416 20 0 DEADHO CCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1C ZINC001132888369 788218759 /nfs/dbraw/zinc/21/87/59/788218759.db2.gz MRFUHQINZWHIGS-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCC2CC2)C1 ZINC001133177293 788307704 /nfs/dbraw/zinc/30/77/04/788307704.db2.gz DFPSWOXUNOVTKC-WBVHZDCISA-N 1 3 309.498 2.203 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC=C(C)C)C1 ZINC001133178790 788307884 /nfs/dbraw/zinc/30/78/84/788307884.db2.gz XJJPWHXKUALXOJ-DLBZAZTESA-N 1 3 309.498 2.369 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC2CCC2)C1 ZINC001133274452 788346774 /nfs/dbraw/zinc/34/67/74/788346774.db2.gz IJDRJGLQXBIJFN-DOTOQJQBSA-N 1 3 309.498 2.203 20 0 DEADHO CC[C@H](C(=O)NCCNCc1cccc(F)c1)[NH+](CC)CC ZINC001133684675 788558966 /nfs/dbraw/zinc/55/89/66/788558966.db2.gz KNQLYJCYNGMUII-MRXNPFEDSA-N 1 3 309.429 2.152 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)CN1CC[C@H](C)C1 ZINC001133845364 788637858 /nfs/dbraw/zinc/63/78/58/788637858.db2.gz CMNBCDKLGWPSRA-HOCLYGCPSA-N 1 3 303.450 2.104 20 0 DEADHO CC(C)c1ccccc1C[NH2+]CCNC(=O)CN1CC[C@H](C)C1 ZINC001133846382 788638097 /nfs/dbraw/zinc/63/80/97/788638097.db2.gz ZTPVWPOFBFIWSX-INIZCTEOSA-N 1 3 317.477 2.358 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001133846022 788638397 /nfs/dbraw/zinc/63/83/97/788638397.db2.gz RVOMENIUCMDOKN-HNNXBMFYSA-N 1 3 307.482 2.004 20 0 DEADHO C[C@H]([NH2+]CCNC(=O)CN1CC[C@H](C)C1)c1cccc(Cl)c1 ZINC001133846014 788638560 /nfs/dbraw/zinc/63/85/60/788638560.db2.gz RQKNFXSAUPVPNW-KBPBESRZSA-N 1 3 323.868 2.449 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+][C@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001133965774 788696545 /nfs/dbraw/zinc/69/65/45/788696545.db2.gz JPPRRGLOEVSNBB-KDOFPFPSSA-N 1 3 317.477 2.282 20 0 DEADHO CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1cc(C)no1 ZINC001134773765 789075306 /nfs/dbraw/zinc/07/53/06/789075306.db2.gz RLPXAAKVLGQXLL-QWHCGFSZSA-N 1 3 324.469 2.086 20 0 DEADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1cc(C)no1 ZINC001134773765 789075310 /nfs/dbraw/zinc/07/53/10/789075310.db2.gz RLPXAAKVLGQXLL-QWHCGFSZSA-N 1 3 324.469 2.086 20 0 DEADHO C[C@@H](NCCNC(=O)CC1CC[NH+](C)CC1)c1ccccc1F ZINC001134782707 789082630 /nfs/dbraw/zinc/08/26/30/789082630.db2.gz JZBYDTAPHRRMSP-CQSZACIVSA-N 1 3 321.440 2.324 20 0 DEADHO COC[C@@H]1CN(CC2CC2)C[C@@]12CC[N@@H+]([C@H]1CCCOCC1)C2 ZINC001170811969 789318018 /nfs/dbraw/zinc/31/80/18/789318018.db2.gz PFYAPIKBCVISRE-GBESFXJTSA-N 1 3 322.493 2.236 20 0 DEADHO COC[C@@H]1CN(CC2CC2)C[C@@]12CC[N@H+]([C@H]1CCCOCC1)C2 ZINC001170811969 789318028 /nfs/dbraw/zinc/31/80/28/789318028.db2.gz PFYAPIKBCVISRE-GBESFXJTSA-N 1 3 322.493 2.236 20 0 DEADHO CC[NH+](CC)[C@@H](C(=O)NCCNCc1cccc(F)c1)C(C)C ZINC001135474692 789353145 /nfs/dbraw/zinc/35/31/45/789353145.db2.gz XMDBYMZFSYQCNP-QGZVFWFLSA-N 1 3 323.456 2.398 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC001135513618 789381699 /nfs/dbraw/zinc/38/16/99/789381699.db2.gz SELUCRQEYRIIKY-LBPRGKRZSA-N 1 3 313.392 2.073 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+][C@@H]1CCCc2ccccc21 ZINC001135513507 789381885 /nfs/dbraw/zinc/38/18/85/789381885.db2.gz PUKYAKIZWDZDHJ-QGZVFWFLSA-N 1 3 303.450 2.112 20 0 DEADHO CC[C@@H]([NH2+]CCNC(=O)CN(CC)CC)c1ccc(F)cc1 ZINC001135513439 789382138 /nfs/dbraw/zinc/38/21/38/789382138.db2.gz OLOJFLZISDGJST-MRXNPFEDSA-N 1 3 309.429 2.324 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1oc(C)nc1C ZINC001135980347 789581670 /nfs/dbraw/zinc/58/16/70/789581670.db2.gz OCSVQIUNBPFNPI-QWHCGFSZSA-N 1 3 324.469 2.006 20 0 DEADHO Cc1ncc(CN[C@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C)o1 ZINC001135973603 789584506 /nfs/dbraw/zinc/58/45/06/789584506.db2.gz AUUJAGBZNPFKAS-ZIAGYGMSSA-N 1 3 324.469 2.088 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)NCc1cc(C)no1 ZINC001135973725 789584839 /nfs/dbraw/zinc/58/48/39/789584839.db2.gz COGUSNBONUCOSF-UONOGXRCSA-N 1 3 324.469 2.088 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)NCc1cc(C)no1 ZINC001135973725 789584845 /nfs/dbraw/zinc/58/48/45/789584845.db2.gz COGUSNBONUCOSF-UONOGXRCSA-N 1 3 324.469 2.088 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccnc1C ZINC001135976176 789585802 /nfs/dbraw/zinc/58/58/02/789585802.db2.gz HKXHUNLMZQETOU-HUUCEWRRSA-N 1 3 320.481 2.105 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cncc(C)c1 ZINC001135976951 789587033 /nfs/dbraw/zinc/58/70/33/789587033.db2.gz OOARYIOCPPGTIN-HOTGVXAUSA-N 1 3 320.481 2.105 20 0 DEADHO CC[N@@H+]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[C@H]1C ZINC001072095245 790050195 /nfs/dbraw/zinc/05/01/95/790050195.db2.gz GVZBHTOIRSKSDB-PBHICJAKSA-N 1 3 303.450 2.351 20 0 DEADHO CC[N@H+]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[C@H]1C ZINC001072095245 790050202 /nfs/dbraw/zinc/05/02/02/790050202.db2.gz GVZBHTOIRSKSDB-PBHICJAKSA-N 1 3 303.450 2.351 20 0 DEADHO C[C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CC1CCC1 ZINC001072301909 790110481 /nfs/dbraw/zinc/11/04/81/790110481.db2.gz ZJRFDJVGHDZKGS-DOTOQJQBSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCc1ccccc1 ZINC001146593840 791317957 /nfs/dbraw/zinc/31/79/57/791317957.db2.gz QNKXNRBXCILJBJ-IRXDYDNUSA-N 1 3 319.493 2.442 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1 ZINC001146595202 791319125 /nfs/dbraw/zinc/31/91/25/791319125.db2.gz XNSUGHZSLLFYIC-HZPDHXFCSA-N 1 3 305.466 2.400 20 0 DEADHO CC(C)[NH2+][C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001074880519 791365777 /nfs/dbraw/zinc/36/57/77/791365777.db2.gz DQGGWWAAVZIGRR-GRDNDAEWSA-N 1 3 313.461 2.186 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC2CCCCC2)[C@@H]1C)N(C)C ZINC001074885529 791368879 /nfs/dbraw/zinc/36/88/79/791368879.db2.gz JPSBHVBMVJQXOI-XIRDDKMYSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C)c1ccccc1 ZINC001074918299 791386708 /nfs/dbraw/zinc/38/67/08/791386708.db2.gz ADGBBSRWTVLQNP-KEYYUXOJSA-N 1 3 312.417 2.292 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[NH2+]CC/C=C/c1ccccc1 ZINC001149124019 791475421 /nfs/dbraw/zinc/47/54/21/791475421.db2.gz OIVXRGFCSKOGAA-WEVVVXLNSA-N 1 3 312.417 2.070 20 0 DEADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001098455069 791633765 /nfs/dbraw/zinc/63/37/65/791633765.db2.gz FAXIHAZXJKESJB-KURKYZTESA-N 1 3 315.461 2.492 20 0 DEADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001098455069 791633769 /nfs/dbraw/zinc/63/37/69/791633769.db2.gz FAXIHAZXJKESJB-KURKYZTESA-N 1 3 315.461 2.492 20 0 DEADHO CC/C=C\CC[N@@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001148292772 791731564 /nfs/dbraw/zinc/73/15/64/791731564.db2.gz SNTFTLICZZCHDQ-VGOKWCNXSA-N 1 3 319.493 2.219 20 0 DEADHO CC/C=C\CC[N@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001148292772 791731568 /nfs/dbraw/zinc/73/15/68/791731568.db2.gz SNTFTLICZZCHDQ-VGOKWCNXSA-N 1 3 319.493 2.219 20 0 DEADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@H+](CC1CCCCC1)C2 ZINC001148844461 791810944 /nfs/dbraw/zinc/81/09/44/791810944.db2.gz MNMWRMBGAIFBCK-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@@H+](CC1CCCCC1)C2 ZINC001148844461 791810947 /nfs/dbraw/zinc/81/09/47/791810947.db2.gz MNMWRMBGAIFBCK-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001098960020 792003128 /nfs/dbraw/zinc/00/31/28/792003128.db2.gz QMBKRADLMURQEA-SCTDSRPQSA-N 1 3 319.493 2.240 20 0 DEADHO CC(C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001098960020 792003140 /nfs/dbraw/zinc/00/31/40/792003140.db2.gz QMBKRADLMURQEA-SCTDSRPQSA-N 1 3 319.493 2.240 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CCC2)C1)N(C)C ZINC001099497438 792223647 /nfs/dbraw/zinc/22/36/47/792223647.db2.gz WYJUYAJBQUQYQC-LNLFQRSKSA-N 1 3 321.509 2.345 20 0 DEADHO CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001099509849 792226713 /nfs/dbraw/zinc/22/67/13/792226713.db2.gz VESYSFZWKAIVIF-LNLFQRSKSA-N 1 3 321.509 2.488 20 0 DEADHO CCCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C(C)C ZINC001099553375 792239937 /nfs/dbraw/zinc/23/99/37/792239937.db2.gz TWNLNFFICKJRQB-MHORFTMASA-N 1 3 321.509 2.296 20 0 DEADHO CCCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C(C)C ZINC001099553375 792239948 /nfs/dbraw/zinc/23/99/48/792239948.db2.gz TWNLNFFICKJRQB-MHORFTMASA-N 1 3 321.509 2.296 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC)C[C@H]1C ZINC001093120091 792241777 /nfs/dbraw/zinc/24/17/77/792241777.db2.gz BAKVYIFAQHQZDV-ZACQAIPSSA-N 1 3 309.498 2.345 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC)C[C@H]1C ZINC001093120091 792241782 /nfs/dbraw/zinc/24/17/82/792241782.db2.gz BAKVYIFAQHQZDV-ZACQAIPSSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)CCC[NH2+]C1CC(CNC(=O)CN2CCC[C@@H]2C)C1 ZINC001100675849 792782888 /nfs/dbraw/zinc/78/28/88/792782888.db2.gz AIQCAKKWUXTHEN-GTPINHCMSA-N 1 3 309.498 2.391 20 0 DEADHO CCCN(C)CC(=O)NCC1CC([NH2+]Cc2ccccc2)C1 ZINC001100901954 792909792 /nfs/dbraw/zinc/90/97/92/792909792.db2.gz XDIJAFRGQZLCKL-UHFFFAOYSA-N 1 3 303.450 2.013 20 0 DEADHO CN1C(C)(C)CC([NH2+]C2CCN(C3COC3)CC2)CC1(C)C ZINC001171623339 793154031 /nfs/dbraw/zinc/15/40/31/793154031.db2.gz UXSNKUBCZQDUEW-UHFFFAOYSA-N 1 3 309.498 2.091 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1ccc(C)cc1C ZINC001171762553 793199546 /nfs/dbraw/zinc/19/95/46/793199546.db2.gz FQMKMOFVMQODHL-UHFFFAOYSA-N 1 3 305.466 2.241 20 0 DEADHO CNC(=O)CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172072113 793311043 /nfs/dbraw/zinc/31/10/43/793311043.db2.gz LBFSHGMPHJDGOX-BCDXTJNWSA-N 1 3 315.461 2.298 20 0 DEADHO CNC(=O)CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172072113 793311058 /nfs/dbraw/zinc/31/10/58/793311058.db2.gz LBFSHGMPHJDGOX-BCDXTJNWSA-N 1 3 315.461 2.298 20 0 DEADHO C[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H](O)c1cccc(O)c1 ZINC001172111121 793331084 /nfs/dbraw/zinc/33/10/84/793331084.db2.gz QELXWVNBWUGKGI-NBGIZXCLSA-N 1 3 304.434 2.419 20 0 DEADHO C[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H](O)c1cccc(O)c1 ZINC001172111121 793331093 /nfs/dbraw/zinc/33/10/93/793331093.db2.gz QELXWVNBWUGKGI-NBGIZXCLSA-N 1 3 304.434 2.419 20 0 DEADHO C[NH+](C)CC[C@H](N[C@@H]1CCN2C(=O)CC[C@@H]2C1)c1ccccc1 ZINC001172145791 793348791 /nfs/dbraw/zinc/34/87/91/793348791.db2.gz HZCVBBZSSSJDDN-KURKYZTESA-N 1 3 315.461 2.422 20 0 DEADHO COCCC[NH+]1CCC(N2CC[C@H](c3ccccn3)C2)CC1 ZINC001172255447 793390981 /nfs/dbraw/zinc/39/09/81/793390981.db2.gz RMGQGCABSWMOPZ-INIZCTEOSA-N 1 3 303.450 2.372 20 0 DEADHO CC(C)(N)C(C)(C)[NH2+][C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172664964 793473684 /nfs/dbraw/zinc/47/36/84/793473684.db2.gz TYERZPFGAARDRL-OAHLLOKOSA-N 1 3 303.450 2.283 20 0 DEADHO CC[C@@H](C)C[N@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102046194 793485651 /nfs/dbraw/zinc/48/56/51/793485651.db2.gz RPGLLFFNMOBNLE-BZUAXINKSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@@H](C)C[N@@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102046194 793485654 /nfs/dbraw/zinc/48/56/54/793485654.db2.gz RPGLLFFNMOBNLE-BZUAXINKSA-N 1 3 309.498 2.201 20 0 DEADHO CC1CC(C[N@H+]2C[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@H](C)C2)C1 ZINC001102046082 793485997 /nfs/dbraw/zinc/48/59/97/793485997.db2.gz LQDUQBLKIONQPZ-MNAZLIDISA-N 1 3 321.509 2.201 20 0 DEADHO CC1CC(C[N@@H+]2C[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@H](C)C2)C1 ZINC001102046082 793485999 /nfs/dbraw/zinc/48/59/99/793485999.db2.gz LQDUQBLKIONQPZ-MNAZLIDISA-N 1 3 321.509 2.201 20 0 DEADHO CCCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCC2)[C@H](C)C1 ZINC001102216672 793532687 /nfs/dbraw/zinc/53/26/87/793532687.db2.gz OGVXYZNVWMKRIS-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CCCC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCC2)[C@H](C)C1 ZINC001102216672 793532690 /nfs/dbraw/zinc/53/26/90/793532690.db2.gz OGVXYZNVWMKRIS-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CCCC[N@H+]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@H](C)C1 ZINC001102377162 793595836 /nfs/dbraw/zinc/59/58/36/793595836.db2.gz RCXKRYQYIUBQID-HZPDHXFCSA-N 1 3 311.514 2.449 20 0 DEADHO CCCC[N@@H+]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@H](C)C1 ZINC001102377162 793595840 /nfs/dbraw/zinc/59/58/40/793595840.db2.gz RCXKRYQYIUBQID-HZPDHXFCSA-N 1 3 311.514 2.449 20 0 DEADHO COc1cccc2c1C[C@@H](N1CCC(C[NH+](C)C)CC1)CO2 ZINC001173161762 793613170 /nfs/dbraw/zinc/61/31/70/793613170.db2.gz RDERXRNPQCDLPL-OAHLLOKOSA-N 1 3 304.434 2.272 20 0 DEADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C ZINC001102473753 793626731 /nfs/dbraw/zinc/62/67/31/793626731.db2.gz NTYWFASRBNMQJQ-NVXWUHKLSA-N 1 3 309.498 2.203 20 0 DEADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C ZINC001102473753 793626737 /nfs/dbraw/zinc/62/67/37/793626737.db2.gz NTYWFASRBNMQJQ-NVXWUHKLSA-N 1 3 309.498 2.203 20 0 DEADHO C[NH+]1CCN(c2ccc(Nc3ccc4nccn4c3)cn2)CC1 ZINC001174276370 793952635 /nfs/dbraw/zinc/95/26/35/793952635.db2.gz XGOALHGEKKHFCW-UHFFFAOYSA-N 1 3 308.389 2.225 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](CC(C)C)C[C@H]1C ZINC001103158072 793960736 /nfs/dbraw/zinc/96/07/36/793960736.db2.gz RBRQFVFVLYTVEU-HZPDHXFCSA-N 1 3 311.514 2.447 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](CC(C)C)C[C@H]1C ZINC001103158072 793960740 /nfs/dbraw/zinc/96/07/40/793960740.db2.gz RBRQFVFVLYTVEU-HZPDHXFCSA-N 1 3 311.514 2.447 20 0 DEADHO CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2CN(C)C)C1 ZINC001103753439 794214115 /nfs/dbraw/zinc/21/41/15/794214115.db2.gz IVLQQPUGGBNKSN-HZPDHXFCSA-N 1 3 317.477 2.456 20 0 DEADHO CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2CN(C)C)C1 ZINC001103753439 794214120 /nfs/dbraw/zinc/21/41/20/794214120.db2.gz IVLQQPUGGBNKSN-HZPDHXFCSA-N 1 3 317.477 2.456 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)CCCC[NH2+]Cc1cnc(C)o1 ZINC001175786932 794288005 /nfs/dbraw/zinc/28/80/05/794288005.db2.gz RCFJRLSYYMKXAU-CQSZACIVSA-N 1 3 324.469 2.089 20 0 DEADHO CC[C@@H](F)C[NH2+]CCCC[C@H](C)NC(=O)CN(CC)CC ZINC001175787920 794289059 /nfs/dbraw/zinc/28/90/59/794289059.db2.gz ZAVOXXUOQDCWIZ-LSDHHAIUSA-N 1 3 303.466 2.341 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H](C)CCCCNCc1cnc(C)o1 ZINC001176024463 794335396 /nfs/dbraw/zinc/33/53/96/794335396.db2.gz OKYQWFQNVDXZQU-CQSZACIVSA-N 1 3 324.469 2.089 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CCCCNCc1cnc(C)o1 ZINC001176024463 794335405 /nfs/dbraw/zinc/33/54/05/794335405.db2.gz OKYQWFQNVDXZQU-CQSZACIVSA-N 1 3 324.469 2.089 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCCC[NH2+]CC[C@@H](C)F ZINC001176352020 794413404 /nfs/dbraw/zinc/41/34/04/794413404.db2.gz YTQBKJCRBJCESC-OLZOCXBDSA-N 1 3 312.433 2.273 20 0 DEADHO CC[C@H](F)C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C(C)C ZINC001176753326 794498111 /nfs/dbraw/zinc/49/81/11/794498111.db2.gz GCIRFPSLCBWYLH-CABCVRRESA-N 1 3 303.466 2.339 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21 ZINC001115303530 794728566 /nfs/dbraw/zinc/72/85/66/794728566.db2.gz FGRRHUJAWWTHGQ-QLPKVWCKSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21 ZINC001115303530 794728574 /nfs/dbraw/zinc/72/85/74/794728574.db2.gz FGRRHUJAWWTHGQ-QLPKVWCKSA-N 1 3 309.498 2.199 20 0 DEADHO C[C@]1(C[NH3+])CCCN(Cc2cnc(C(F)(F)F)nc2)CC1 ZINC001206311350 794782735 /nfs/dbraw/zinc/78/27/35/794782735.db2.gz MXRBCPQBGVOBAN-ZDUSSCGKSA-N 1 3 302.344 2.446 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1([NH2+]CC2CC2)CCCCC1)N(C)C ZINC001115581971 794828453 /nfs/dbraw/zinc/82/84/53/794828453.db2.gz DQQHVFFYUHDNMH-INIZCTEOSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]CCCF)CCCCC1)N(C)C ZINC001115591692 794831571 /nfs/dbraw/zinc/83/15/71/794831571.db2.gz ABPUNVHUZSJRRH-CQSZACIVSA-N 1 3 301.450 2.095 20 0 DEADHO CC[C@H](C(=O)NCCCCCC[NH2+]Cc1ccccn1)N(C)C ZINC001178815367 795012792 /nfs/dbraw/zinc/01/27/92/795012792.db2.gz ARUFREPYHKBELS-QGZVFWFLSA-N 1 3 320.481 2.188 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CCCCCF)CCN1C(=O)CN(C)C1CCC1 ZINC001178902280 795027286 /nfs/dbraw/zinc/02/72/86/795027286.db2.gz JDWDGMUGEBVHPY-HOCLYGCPSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)[C@H](C(=O)NCCCCCC[NH2+]CCCF)N(C)C ZINC001179499095 795129110 /nfs/dbraw/zinc/12/91/10/795129110.db2.gz LZZJMYCVOYGEKK-OAHLLOKOSA-N 1 3 303.466 2.198 20 0 DEADHO CCC[NH+](CCC)CCCC(=O)N1CC[C@H](NCCF)[C@@H]1C ZINC001179903207 795206857 /nfs/dbraw/zinc/20/68/57/795206857.db2.gz BZCXIOKJXYTRFE-HOTGVXAUSA-N 1 3 315.477 2.437 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CCF ZINC001180372895 795292705 /nfs/dbraw/zinc/29/27/05/795292705.db2.gz LUPARYOKEUAFMM-OAHLLOKOSA-N 1 3 301.450 2.097 20 0 DEADHO C[C@H](C(=O)N(C1CCCC1)C1CC[NH+](C)CC1)N1CCCC1 ZINC001180582669 795338026 /nfs/dbraw/zinc/33/80/26/795338026.db2.gz HRNSTDFNOIQEMC-OAHLLOKOSA-N 1 3 307.482 2.336 20 0 DEADHO COC(=O)c1ccc(CNCCC2CC[NH+](C)CC2)c(F)c1 ZINC001119676918 795338594 /nfs/dbraw/zinc/33/85/94/795338594.db2.gz AIXRVXCGMYLOMY-UHFFFAOYSA-N 1 3 308.397 2.434 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001120440122 795459527 /nfs/dbraw/zinc/45/95/27/795459527.db2.gz LTGLXMUCROXFBR-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001120440122 795459529 /nfs/dbraw/zinc/45/95/29/795459529.db2.gz LTGLXMUCROXFBR-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)=CC[NH2+]C1CC2(CC(NC(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001121245045 795606649 /nfs/dbraw/zinc/60/66/49/795606649.db2.gz CGSQWFLSJGVKTB-APUKJBRXSA-N 1 3 319.493 2.310 20 0 DEADHO CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001121773638 795685771 /nfs/dbraw/zinc/68/57/71/795685771.db2.gz SVUNCBWVUYUXKK-TVACIPRKSA-N 1 3 321.509 2.391 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C/C=C/Cl)C1)N(C)C ZINC001182637540 795717116 /nfs/dbraw/zinc/71/71/16/795717116.db2.gz IMHPJOMRKGSMSD-LJABONGZSA-N 1 3 315.889 2.153 20 0 DEADHO CCCN(C)CC(=O)NC1CC2(C1)CC([NH2+]C[C@@H](C)CC)C2 ZINC001122106922 795726199 /nfs/dbraw/zinc/72/61/99/795726199.db2.gz VYPRGNOTLLNMHU-JFPDKAJLSA-N 1 3 309.498 2.391 20 0 DEADHO CCCN(C)CC(=O)NC1CC2(C1)CC([NH2+]CC=C(C)C)C2 ZINC001122106511 795726639 /nfs/dbraw/zinc/72/66/39/795726639.db2.gz KFORSXVVHBKEJV-UHFFFAOYSA-N 1 3 307.482 2.311 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001183288477 795844562 /nfs/dbraw/zinc/84/45/62/795844562.db2.gz JUHFUBXGVXHBJM-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C/C=C/Cl)C1 ZINC001183517279 795879841 /nfs/dbraw/zinc/87/98/41/795879841.db2.gz YISCAKWGIFQSDQ-XMAAMQLLSA-N 1 3 315.889 2.153 20 0 DEADHO CC[C@H](C)C[NH2+]C[C@]1(C)CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001183509806 795883516 /nfs/dbraw/zinc/88/35/16/795883516.db2.gz OSOCWDZVWGJVMK-LZLYRXPVSA-N 1 3 311.514 2.447 20 0 DEADHO CCC[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C ZINC001185170819 796202146 /nfs/dbraw/zinc/20/21/46/796202146.db2.gz RZTXAJMXOFTCIL-JKSUJKDBSA-N 1 3 309.498 2.203 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H](C[NH2+]C/C=C/Cl)[C@@H](C)C1 ZINC001185357364 796237470 /nfs/dbraw/zinc/23/74/70/796237470.db2.gz CRSIMIDIBNJCPN-VKGGURKZSA-N 1 3 315.889 2.155 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CC2CCC2)[C@@H](C)C1 ZINC001185551474 796281448 /nfs/dbraw/zinc/28/14/48/796281448.db2.gz ZSSOIHRFJJXPQK-DOTOQJQBSA-N 1 3 309.498 2.203 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CCC(C)C)[C@H](C)C1 ZINC001185546462 796289618 /nfs/dbraw/zinc/28/96/18/796289618.db2.gz CEYFYCIDGXFRNJ-SJORKVTESA-N 1 3 311.514 2.449 20 0 DEADHO O=c1ccc(C[NH+]2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)c[nH]1 ZINC001139468559 796383025 /nfs/dbraw/zinc/38/30/25/796383025.db2.gz IFXZCYTXYIEKBH-ROUUACIJSA-N 1 3 309.413 2.351 20 0 DEADHO CC[C@H](F)CN[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001186356094 796393020 /nfs/dbraw/zinc/39/30/20/796393020.db2.gz QNRWHRYIGWWCCN-DLBZAZTESA-N 1 3 321.440 2.300 20 0 DEADHO C[N@@H+]1CCC[C@H](C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC001186362915 796395076 /nfs/dbraw/zinc/39/50/76/796395076.db2.gz WCKMFQDWMVDDIK-ROUUACIJSA-N 1 3 315.461 2.282 20 0 DEADHO C[N@H+]1CCC[C@H](C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC001186362915 796395083 /nfs/dbraw/zinc/39/50/83/796395083.db2.gz WCKMFQDWMVDDIK-ROUUACIJSA-N 1 3 315.461 2.282 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCCF)C1 ZINC001186412599 796399472 /nfs/dbraw/zinc/39/94/72/796399472.db2.gz QOSDCVZIZAOHAJ-OAHLLOKOSA-N 1 3 301.450 2.049 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC[C@@H]([NH2+]C[C@H](F)CC)C1 ZINC001186420625 796404528 /nfs/dbraw/zinc/40/45/28/796404528.db2.gz PRZCDZYANDMTOO-HZPDHXFCSA-N 1 3 315.477 2.437 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001186458528 796408873 /nfs/dbraw/zinc/40/88/73/796408873.db2.gz OTLVFFIMUWMOJM-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)N(C)CC(=O)NCC1CC[NH+](C2CCCCC2)CC1 ZINC001142590104 796753488 /nfs/dbraw/zinc/75/34/88/796753488.db2.gz GDPUVNCMBLLMSX-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CC[NH+](CC)CCN1CCN(Cc2cccc3nc[nH]c32)CC1 ZINC001142672527 796760299 /nfs/dbraw/zinc/76/02/99/796760299.db2.gz BVISSOGBSASVDK-UHFFFAOYSA-N 1 3 315.465 2.022 20 0 DEADHO COc1cc(CN2CCCC[C@@H](C[NH3+])C2)ccc1-n1ccnc1 ZINC001206641010 797041642 /nfs/dbraw/zinc/04/16/42/797041642.db2.gz QYJAWFZZKIBPEP-INIZCTEOSA-N 1 3 314.433 2.442 20 0 DEADHO CC(C)=CCN(C)[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001190744021 797067901 /nfs/dbraw/zinc/06/79/01/797067901.db2.gz OHSAUBOGENKYMC-SJORKVTESA-N 1 3 307.482 2.360 20 0 DEADHO CC(C)=CCN(C)[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001190744021 797067905 /nfs/dbraw/zinc/06/79/05/797067905.db2.gz OHSAUBOGENKYMC-SJORKVTESA-N 1 3 307.482 2.360 20 0 DEADHO CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001190776035 797074185 /nfs/dbraw/zinc/07/41/85/797074185.db2.gz MHAWUEVZLIDPDC-DSPBCKRPSA-N 1 3 309.498 2.462 20 0 DEADHO CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001190776035 797074193 /nfs/dbraw/zinc/07/41/93/797074193.db2.gz MHAWUEVZLIDPDC-DSPBCKRPSA-N 1 3 309.498 2.462 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001152459078 797190759 /nfs/dbraw/zinc/19/07/59/797190759.db2.gz YEDPJZQFRVMSNZ-RHSMWYFYSA-N 1 3 321.440 2.467 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCc2ccccc21 ZINC001152457067 797190824 /nfs/dbraw/zinc/19/08/24/797190824.db2.gz ARFRBANVCFTVJZ-MSOLQXFVSA-N 1 3 315.461 2.254 20 0 DEADHO CN(Cc1cccc(Cl)c1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192151613 797326234 /nfs/dbraw/zinc/32/62/34/797326234.db2.gz AHMDFCGUIVYXJN-MRXNPFEDSA-N 1 3 323.868 2.324 20 0 DEADHO C[C@H](c1cccc(F)c1)N(C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192151695 797327477 /nfs/dbraw/zinc/32/74/77/797327477.db2.gz BYRALFWENIJWNV-RHSMWYFYSA-N 1 3 321.440 2.371 20 0 DEADHO CC[C@@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001192377352 797377119 /nfs/dbraw/zinc/37/71/19/797377119.db2.gz KIYFMMRFRFTMRM-HZPDHXFCSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001192377352 797377127 /nfs/dbraw/zinc/37/71/27/797377127.db2.gz KIYFMMRFRFTMRM-HZPDHXFCSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@@H](F)CC[N@H+](C)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001192406921 797387091 /nfs/dbraw/zinc/38/70/91/797387091.db2.gz PEQCMDYGPZAGDE-CABCVRRESA-N 1 3 315.477 2.245 20 0 DEADHO C[C@@H](F)CC[N@@H+](C)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001192406921 797387099 /nfs/dbraw/zinc/38/70/99/797387099.db2.gz PEQCMDYGPZAGDE-CABCVRRESA-N 1 3 315.477 2.245 20 0 DEADHO CC[N@H+](Cc1ccccc1)[C@H](C)CNC(=O)[C@H](C1CC1)N(C)C ZINC001153824623 797404732 /nfs/dbraw/zinc/40/47/32/797404732.db2.gz VCNXZXXYLCIEPJ-QAPCUYQASA-N 1 3 317.477 2.353 20 0 DEADHO CC[N@@H+](Cc1ccccc1)[C@H](C)CNC(=O)[C@H](C1CC1)N(C)C ZINC001153824623 797404736 /nfs/dbraw/zinc/40/47/36/797404736.db2.gz VCNXZXXYLCIEPJ-QAPCUYQASA-N 1 3 317.477 2.353 20 0 DEADHO CC(C)CC[N@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193028110 797492447 /nfs/dbraw/zinc/49/24/47/797492447.db2.gz SIYAVOAHNVIIRF-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193028110 797492452 /nfs/dbraw/zinc/49/24/52/797492452.db2.gz SIYAVOAHNVIIRF-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC001193291861 797539396 /nfs/dbraw/zinc/53/93/96/797539396.db2.gz IKVXEBZGQKYBFR-QGZVFWFLSA-N 1 3 321.440 2.200 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC001193291861 797539402 /nfs/dbraw/zinc/53/94/02/797539402.db2.gz IKVXEBZGQKYBFR-QGZVFWFLSA-N 1 3 321.440 2.200 20 0 DEADHO CCN(Cc1ccsc1)[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001156374111 797986794 /nfs/dbraw/zinc/98/67/94/797986794.db2.gz IUQVINOSHAKKSX-HUUCEWRRSA-N 1 3 323.506 2.417 20 0 DEADHO CCN(Cc1ccsc1)[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001156374111 797986801 /nfs/dbraw/zinc/98/68/01/797986801.db2.gz IUQVINOSHAKKSX-HUUCEWRRSA-N 1 3 323.506 2.417 20 0 DEADHO [NH3+]C1CCN(c2cccc(NCCCc3ccncc3)n2)CC1 ZINC001156407823 797995011 /nfs/dbraw/zinc/99/50/11/797995011.db2.gz VIQNWERWVHDKNY-UHFFFAOYSA-N 1 3 311.433 2.449 20 0 DEADHO CCCN1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001196641346 798082257 /nfs/dbraw/zinc/08/22/57/798082257.db2.gz BJYCJFPWNUHNFP-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO C[NH+](C)CCCC(=O)N1CCCN(CCc2ccccc2)CC1 ZINC001196962774 798131981 /nfs/dbraw/zinc/13/19/81/798131981.db2.gz IRWZVLUNCHOIGG-UHFFFAOYSA-N 1 3 317.477 2.105 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC001197707297 798228024 /nfs/dbraw/zinc/22/80/24/798228024.db2.gz PKBLTWJLIWYXQF-UHFFFAOYSA-N 1 3 317.477 2.371 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC001197707297 798228027 /nfs/dbraw/zinc/22/80/27/798228027.db2.gz PKBLTWJLIWYXQF-UHFFFAOYSA-N 1 3 317.477 2.371 20 0 DEADHO CC[C@H](F)C[NH2+]C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001203904454 798330486 /nfs/dbraw/zinc/33/04/86/798330486.db2.gz WWXVJOCPDAOIFY-HOCLYGCPSA-N 1 3 313.461 2.190 20 0 DEADHO N[C@H]1CC[N@@H+](C2CCN(c3ccc4cc(F)ccc4n3)CC2)C1 ZINC001158259384 798368520 /nfs/dbraw/zinc/36/85/20/798368520.db2.gz RJIBPCIINPVBSY-HNNXBMFYSA-N 1 3 314.408 2.376 20 0 DEADHO N[C@H]1CC[N@H+](C2CCN(c3ccc4cc(F)ccc4n3)CC2)C1 ZINC001158259384 798368525 /nfs/dbraw/zinc/36/85/25/798368525.db2.gz RJIBPCIINPVBSY-HNNXBMFYSA-N 1 3 314.408 2.376 20 0 DEADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cccc2cc(C)[nH]c21 ZINC001198583156 798368518 /nfs/dbraw/zinc/36/85/18/798368518.db2.gz FITUVNDHELIXMF-UHFFFAOYSA-N 1 3 315.421 2.154 20 0 DEADHO N[C@H]1CC[N@@H+](C2CCN(c3ccc4ccc(F)cc4n3)CC2)C1 ZINC001158268780 798371096 /nfs/dbraw/zinc/37/10/96/798371096.db2.gz MDFZLBXSVIJHIY-HNNXBMFYSA-N 1 3 314.408 2.376 20 0 DEADHO N[C@H]1CC[N@H+](C2CCN(c3ccc4ccc(F)cc4n3)CC2)C1 ZINC001158268780 798371101 /nfs/dbraw/zinc/37/11/01/798371101.db2.gz MDFZLBXSVIJHIY-HNNXBMFYSA-N 1 3 314.408 2.376 20 0 DEADHO CCCN[C@H](CNC(=O)CCC[NH+](C)C)c1ccccc1OC ZINC001198867166 798409503 /nfs/dbraw/zinc/40/95/03/798409503.db2.gz XYHPPKAPIILETQ-MRXNPFEDSA-N 1 3 321.465 2.194 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@@H]2C[N@H+](C)CCCF)C1 ZINC001158473575 798412722 /nfs/dbraw/zinc/41/27/22/798412722.db2.gz NLKMMSKNAMYKSG-HZPDHXFCSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@@H]2C[N@@H+](C)CCCF)C1 ZINC001158473575 798412729 /nfs/dbraw/zinc/41/27/29/798412729.db2.gz NLKMMSKNAMYKSG-HZPDHXFCSA-N 1 3 313.461 2.001 20 0 DEADHO CCC[NH2+][C@@H](CNC(=O)CN(C)C(C)C)c1ccccc1OC ZINC001198993112 798427281 /nfs/dbraw/zinc/42/72/81/798427281.db2.gz LNQUTIFMYYHGFB-INIZCTEOSA-N 1 3 321.465 2.192 20 0 DEADHO CCCc1nccnc1N(C1CC[NH2+]CC1)C1CCN(C)CC1 ZINC001158590176 798434056 /nfs/dbraw/zinc/43/40/56/798434056.db2.gz BSKXEZQVBSVLKE-UHFFFAOYSA-N 1 3 317.481 2.082 20 0 DEADHO C[C@@H]([NH2+]CCCNC(=O)C1(N(C)C)CCC1)c1ccc(F)cc1 ZINC001159861853 798619716 /nfs/dbraw/zinc/61/97/16/798619716.db2.gz SHUCJXJLJQSZDB-CQSZACIVSA-N 1 3 321.440 2.467 20 0 DEADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CC1CCCCCC1)C1CC1 ZINC001159924407 798626862 /nfs/dbraw/zinc/62/68/62/798626862.db2.gz KKELAKJMADRIMP-QGZVFWFLSA-N 1 3 309.498 2.393 20 0 DEADHO CN(CC(=O)NCCC[NH2+]C/C=C\c1ccccc1)C1CCC1 ZINC001159992121 798637911 /nfs/dbraw/zinc/63/79/11/798637911.db2.gz HNCWNUNODWSWGO-POHAHGRESA-N 1 3 315.461 2.280 20 0 DEADHO NCc1ccc(Nc2ccc(OCC3CC[NH2+]CC3)cn2)cn1 ZINC001160404855 798684402 /nfs/dbraw/zinc/68/44/02/798684402.db2.gz CIOZOIHPLRTZNJ-UHFFFAOYSA-N 1 3 313.405 2.057 20 0 DEADHO CCc1cccc(C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001160421996 798686343 /nfs/dbraw/zinc/68/63/43/798686343.db2.gz ZHRNJTKRQPSPRU-SFHVURJKSA-N 1 3 319.493 2.431 20 0 DEADHO CC[C@@H](F)C[NH2+]C1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001201326805 798740916 /nfs/dbraw/zinc/74/09/16/798740916.db2.gz DIHSVAFTQRUABO-CYBMUJFWSA-N 1 3 301.450 2.045 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+][C@@H](C)c1ccccc1C)N(C)C ZINC001160883650 798755465 /nfs/dbraw/zinc/75/54/65/798755465.db2.gz RLHZFKQYNPACAV-DOTOQJQBSA-N 1 3 305.466 2.492 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+][C@@H](C)c1ccccc1F)N(C)C ZINC001160889985 798756137 /nfs/dbraw/zinc/75/61/37/798756137.db2.gz RUIFZXQUBWBBLP-XJKSGUPXSA-N 1 3 309.429 2.323 20 0 DEADHO CN(C)CCN(C(=O)CCCc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001161443238 798860662 /nfs/dbraw/zinc/86/06/62/798860662.db2.gz NOBZFGDJJKWSLA-SFHVURJKSA-N 1 3 317.477 2.152 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CC1)N(C)C ZINC001110693909 798969560 /nfs/dbraw/zinc/96/95/60/798969560.db2.gz VLZUGRSWBCMRRY-NCOADZHNSA-N 1 3 307.482 2.094 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1)N(C)C ZINC001110693909 798969569 /nfs/dbraw/zinc/96/95/69/798969569.db2.gz VLZUGRSWBCMRRY-NCOADZHNSA-N 1 3 307.482 2.094 20 0 DEADHO C[C@@H](F)CC[NH2+]C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001202526296 799101414 /nfs/dbraw/zinc/10/14/14/799101414.db2.gz CTHOGEVUHSFLET-CQSZACIVSA-N 1 3 313.461 2.047 20 0 DEADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC001114488801 799148092 /nfs/dbraw/zinc/14/80/92/799148092.db2.gz TZKPNENZWPSLMG-FICVDOATSA-N 1 3 321.490 2.025 20 0 DEADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC001114488801 799148094 /nfs/dbraw/zinc/14/80/94/799148094.db2.gz TZKPNENZWPSLMG-FICVDOATSA-N 1 3 321.490 2.025 20 0 DEADHO CCN(CC)CCNC(=[NH2+])Nc1ccnc(-c2ccccc2)n1 ZINC001163123035 799252477 /nfs/dbraw/zinc/25/24/77/799252477.db2.gz VZZYVBCOMFDEFN-UHFFFAOYSA-N 1 3 312.421 2.422 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CC[NH2+]CC1CC1 ZINC000717200624 799258978 /nfs/dbraw/zinc/25/89/78/799258978.db2.gz NJEVMNJOPICCDV-MAUKXSAKSA-N 1 3 315.461 2.013 20 0 DEADHO [NH3+][C@H]1CCc2c1cccc2N[C@H]1CCCC[C@@]12CNCCO2 ZINC001163650339 799394951 /nfs/dbraw/zinc/39/49/51/799394951.db2.gz OVIUBPHIWPMYSY-RYQLBKOJSA-N 1 3 301.434 2.346 20 0 DEADHO C[C@@H](c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221161257 799408665 /nfs/dbraw/zinc/40/86/65/799408665.db2.gz XKYDEQQVDJIKFR-GXTWGEPZSA-N 1 3 309.841 2.188 20 0 DEADHO CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCCN1CCC3)C2 ZINC001095684443 799694642 /nfs/dbraw/zinc/69/46/42/799694642.db2.gz FIAUZGLDBLIXAV-NCOADZHNSA-N 1 3 319.493 2.382 20 0 DEADHO CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCCN1CCC3)C2 ZINC001095684443 799694645 /nfs/dbraw/zinc/69/46/45/799694645.db2.gz FIAUZGLDBLIXAV-NCOADZHNSA-N 1 3 319.493 2.382 20 0 DEADHO CC[C@H](C)C[NH2+]CC1(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001165485455 799735627 /nfs/dbraw/zinc/73/56/27/799735627.db2.gz WWICJSHFESXRHE-HOCLYGCPSA-N 1 3 309.498 2.249 20 0 DEADHO CC(C)CC[NH2+]CC1(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001165485600 799736908 /nfs/dbraw/zinc/73/69/08/799736908.db2.gz ZWVOXKCDMLZLCE-INIZCTEOSA-N 1 3 309.498 2.249 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166004247 799811062 /nfs/dbraw/zinc/81/10/62/799811062.db2.gz HNRUYKRCPICEJQ-QGZVFWFLSA-N 1 3 323.456 2.316 20 0 DEADHO Cc1ccc(F)c(C[NH2+]CCCNC(=O)CN2CCC[C@H]2C)c1 ZINC001166627388 799904965 /nfs/dbraw/zinc/90/49/65/799904965.db2.gz URDCCLRGAYKHLQ-OAHLLOKOSA-N 1 3 321.440 2.214 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]Cc1cccc(Cl)c1 ZINC001166633144 799906923 /nfs/dbraw/zinc/90/69/23/799906923.db2.gz AHQDWNZDXMETEA-AWEZNQCLSA-N 1 3 323.868 2.420 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166634208 799907285 /nfs/dbraw/zinc/90/72/85/799907285.db2.gz QZUPSFLZHCWPFR-OAHLLOKOSA-N 1 3 321.440 2.214 20 0 DEADHO C[C@H]([NH2+]CCCNC(=O)CN1CCC[C@@H]1C)c1ccccc1F ZINC001166645449 799909807 /nfs/dbraw/zinc/90/98/07/799909807.db2.gz QFELIJXHNBXCRR-GJZGRUSLSA-N 1 3 321.440 2.467 20 0 DEADHO c1c2ccccc2n(-c2ncc3c(n2)CCNC3)c1[C@@H]1CCC[NH2+]1 ZINC001166654427 799911597 /nfs/dbraw/zinc/91/15/97/799911597.db2.gz SIZZUIDNGCJEKW-INIZCTEOSA-N 1 3 319.412 2.491 20 0 DEADHO Cc1cccc(C)c1C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166667976 799915463 /nfs/dbraw/zinc/91/54/63/799915463.db2.gz NBZJGNVUFDPNAN-HNNXBMFYSA-N 1 3 317.477 2.241 20 0 DEADHO C[C@H]([NH2+]CCCNC(=O)CN1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC001166678911 799919280 /nfs/dbraw/zinc/91/92/80/799919280.db2.gz ZAIKDDUAVDIGGS-CABCVRRESA-N 1 3 321.440 2.324 20 0 DEADHO Cc1cc(C[NH2+]CCCNC(=O)CN2CCC(C)(C)C2)cs1 ZINC001166764619 799945232 /nfs/dbraw/zinc/94/52/32/799945232.db2.gz IBNZCUVDUBFDEY-UHFFFAOYSA-N 1 3 323.506 2.384 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+][C@H](C)c1cccc(OC)c1)N(C)C ZINC001166852551 799965321 /nfs/dbraw/zinc/96/53/21/799965321.db2.gz SUFWHALIRSMUNM-PBHICJAKSA-N 1 3 321.465 2.192 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+]CCCc1ccsc1)N(C)C ZINC001166857614 799967134 /nfs/dbraw/zinc/96/71/34/799967134.db2.gz FFADPLCPHNFWKU-HNNXBMFYSA-N 1 3 311.495 2.117 20 0 DEADHO CCC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C12CCC2 ZINC001203427014 800045934 /nfs/dbraw/zinc/04/59/34/800045934.db2.gz SCNLPUMHVXDDHI-LSDHHAIUSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000933269704 800056163 /nfs/dbraw/zinc/05/61/63/800056163.db2.gz SRJDVNQIXONWDN-KRWDZBQOSA-N 1 3 307.482 2.336 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000933269704 800056169 /nfs/dbraw/zinc/05/61/69/800056169.db2.gz SRJDVNQIXONWDN-KRWDZBQOSA-N 1 3 307.482 2.336 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1C[C@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203794719 800123699 /nfs/dbraw/zinc/12/36/99/800123699.db2.gz XZFUCPJIEATPEZ-CVEARBPZSA-N 1 3 307.482 2.310 20 0 DEADHO C[NH+](C)CCCOc1ccc(CN2C[C@@H]3CCO[C@@H]3C2)cc1 ZINC001204269833 800197253 /nfs/dbraw/zinc/19/72/53/800197253.db2.gz LEDLXPJXWIXAED-FUHWJXTLSA-N 1 3 304.434 2.238 20 0 DEADHO CC(C)CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001204793891 800258215 /nfs/dbraw/zinc/25/82/15/800258215.db2.gz QXQLJNALTFPUON-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO COc1cccc(-c2ncc(CN3CCC(C[NH3+])CC3)cn2)c1 ZINC001205041364 800289881 /nfs/dbraw/zinc/28/98/81/800289881.db2.gz UBKWLOAKVXBTHJ-UHFFFAOYSA-N 1 3 312.417 2.323 20 0 DEADHO [NH3+]CC1CCN(Cc2[nH]nc3cc(Br)ccc32)CC1 ZINC001205046320 800290341 /nfs/dbraw/zinc/29/03/41/800290341.db2.gz CXKNRKYRPDFHIR-UHFFFAOYSA-N 1 3 323.238 2.496 20 0 DEADHO COc1cc(CN2CCC(C[NH3+])CC2)ccc1OC(=O)C(C)C ZINC001205047267 800290612 /nfs/dbraw/zinc/29/06/12/800290612.db2.gz SSKRQNJFXPNODM-UHFFFAOYSA-N 1 3 320.433 2.427 20 0 DEADHO Cc1cc(F)cc(Cl)c1CN1CCC[C@@](O)(C[NH3+])CC1 ZINC001205254733 800331765 /nfs/dbraw/zinc/33/17/65/800331765.db2.gz ARTPWKNRHDWXNR-HNNXBMFYSA-N 1 3 300.805 2.463 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC(C[NH2+]CC[C@@H](C)F)CC1 ZINC001205562523 800376782 /nfs/dbraw/zinc/37/67/82/800376782.db2.gz WKDHMPQYNMLAHO-CQSZACIVSA-N 1 3 315.477 2.293 20 0 DEADHO [NH3+]C[C@]1(F)CCCN(Cc2c[nH]c3ncnc(Cl)c23)CC1 ZINC001205559237 800377497 /nfs/dbraw/zinc/37/74/97/800377497.db2.gz PDVCJJIRNMITEV-AWEZNQCLSA-N 1 3 311.792 2.216 20 0 DEADHO CCOc1ccc(CC[N@H+](C)C[C@@H](O)CN(C)C(C)C)cc1 ZINC000934720200 800435870 /nfs/dbraw/zinc/43/58/70/800435870.db2.gz LRNAGPRLGCXQFH-QGZVFWFLSA-N 1 3 308.466 2.261 20 0 DEADHO CCOc1ccc(CC[N@@H+](C)C[C@@H](O)CN(C)C(C)C)cc1 ZINC000934720200 800435875 /nfs/dbraw/zinc/43/58/75/800435875.db2.gz LRNAGPRLGCXQFH-QGZVFWFLSA-N 1 3 308.466 2.261 20 0 DEADHO CC[C@H](F)C[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001206176237 800485562 /nfs/dbraw/zinc/48/55/62/800485562.db2.gz IJURLCQIGWXXAJ-JKSUJKDBSA-N 1 3 315.477 2.149 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC(C[NH2+]CCF)CC2)c1 ZINC001206949275 800639506 /nfs/dbraw/zinc/63/95/06/800639506.db2.gz XLPWJBUNGXQJCJ-UHFFFAOYSA-N 1 3 321.440 2.160 20 0 DEADHO C[NH+]1CCC2(CN(C[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001207379278 800740471 /nfs/dbraw/zinc/74/04/71/800740471.db2.gz UNNLLSRINXQKNB-HNNXBMFYSA-N 1 3 323.481 2.414 20 0 DEADHO C[NH+]1CCC(CN2CC(C)(CNC(=O)OC(C)(C)C)C2)CC1 ZINC001207402146 800745755 /nfs/dbraw/zinc/74/57/55/800745755.db2.gz XSTPODLUFJTOCI-UHFFFAOYSA-N 1 3 311.470 2.175 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001207650000 800797695 /nfs/dbraw/zinc/79/76/95/800797695.db2.gz RORMXVLZJJJXHQ-TXVACFFHSA-N 1 3 309.498 2.365 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001207650000 800797698 /nfs/dbraw/zinc/79/76/98/800797698.db2.gz RORMXVLZJJJXHQ-TXVACFFHSA-N 1 3 309.498 2.365 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001207859891 800850408 /nfs/dbraw/zinc/85/04/08/800850408.db2.gz ZYMYKBCPIASIAQ-ADDHZHGLSA-N 1 3 319.493 2.408 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001207859891 800850416 /nfs/dbraw/zinc/85/04/16/800850416.db2.gz ZYMYKBCPIASIAQ-ADDHZHGLSA-N 1 3 319.493 2.408 20 0 DEADHO CCOC[C@H]1Cn2nccc2CN(CC2(C)CC[NH+](C)CC2)C1 ZINC001208107995 800913634 /nfs/dbraw/zinc/91/36/34/800913634.db2.gz ZAXSBASHMQDHJC-MRXNPFEDSA-N 1 3 320.481 2.083 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCCCCF)C1)C1CC1 ZINC001208334128 800958025 /nfs/dbraw/zinc/95/80/25/800958025.db2.gz FXEOXTWYFUBOJU-CVEARBPZSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCC(F)(F)F)C1)N(C)C ZINC001208373310 800969108 /nfs/dbraw/zinc/96/91/08/800969108.db2.gz HXUYZTPNVMHXIW-OLZOCXBDSA-N 1 3 323.403 2.106 20 0 DEADHO CCN(CC[NH+]1CCC2(CN(C)C2)CC1)C(=O)OC(C)(C)C ZINC001208578278 801016649 /nfs/dbraw/zinc/01/66/49/801016649.db2.gz RGMVMMKCAKXXAC-UHFFFAOYSA-N 1 3 311.470 2.271 20 0 DEADHO CCN(CCN1CCC2(C[NH+](C)C2)CC1)C(=O)OC(C)(C)C ZINC001208578278 801016653 /nfs/dbraw/zinc/01/66/53/801016653.db2.gz RGMVMMKCAKXXAC-UHFFFAOYSA-N 1 3 311.470 2.271 20 0 DEADHO CCCN1C[C@H]2C[NH+](C[C@H]3CC[C@H](C(=O)OC)CC3)C[C@@H]2C1 ZINC001208631897 801040411 /nfs/dbraw/zinc/04/04/11/801040411.db2.gz FOPDFVQBPMKUCA-QAETUUGQSA-N 1 3 308.466 2.239 20 0 DEADHO CN1CC[C@@]2(CC[N@H+](CCOCCOCc3ccccc3)C2)C1 ZINC001208751252 801063668 /nfs/dbraw/zinc/06/36/68/801063668.db2.gz YSOSEPHVRPGNRP-LJQANCHMSA-N 1 3 318.461 2.247 20 0 DEADHO CN1CC[C@@]2(CC[N@@H+](CCOCCOCc3ccccc3)C2)C1 ZINC001208751252 801063675 /nfs/dbraw/zinc/06/36/75/801063675.db2.gz YSOSEPHVRPGNRP-LJQANCHMSA-N 1 3 318.461 2.247 20 0 DEADHO COc1ccc(CC[NH+]2CCC(N3CCC3)CC2)cc1OC ZINC001208762812 801065302 /nfs/dbraw/zinc/06/53/02/801065302.db2.gz YTIYYQBQUNCWHJ-UHFFFAOYSA-N 1 3 304.434 2.416 20 0 DEADHO CC[C@@H](CCC(=O)OC)CN1CCN(c2cc[nH+]cc2C)CC1 ZINC001208791364 801071062 /nfs/dbraw/zinc/07/10/62/801071062.db2.gz KJEQPSXUDXELHD-INIZCTEOSA-N 1 3 319.449 2.491 20 0 DEADHO CC(C)Oc1ncccc1CC[NH+]1CCC2(CN(C)C2)CC1 ZINC001208800777 801071958 /nfs/dbraw/zinc/07/19/58/801071958.db2.gz XNCHAMUPPIVOON-UHFFFAOYSA-N 1 3 303.450 2.439 20 0 DEADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2CCc1ccc(F)c(F)c1 ZINC001209244558 801158401 /nfs/dbraw/zinc/15/84/01/801158401.db2.gz JBRKTUMIDQUPPS-MSOLQXFVSA-N 1 3 323.431 2.218 20 0 DEADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2CCc1ccc(F)c(F)c1 ZINC001209244558 801158403 /nfs/dbraw/zinc/15/84/03/801158403.db2.gz JBRKTUMIDQUPPS-MSOLQXFVSA-N 1 3 323.431 2.218 20 0 DEADHO CC[C@@H](CN1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001209460062 801196011 /nfs/dbraw/zinc/19/60/11/801196011.db2.gz DZASMHZYYCFUTH-ILXRZTDVSA-N 1 3 311.470 2.173 20 0 DEADHO CC[C@@H](CN1C[C@@H]2C[N@H+](C)CC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001209460062 801196014 /nfs/dbraw/zinc/19/60/14/801196014.db2.gz DZASMHZYYCFUTH-ILXRZTDVSA-N 1 3 311.470 2.173 20 0 DEADHO CC[C@@H](C(=O)NC1CC[NH+](CCc2cccs2)CC1)N(C)C ZINC001229253354 801247023 /nfs/dbraw/zinc/24/70/23/801247023.db2.gz CSXIPAFYHLNVFC-INIZCTEOSA-N 1 3 323.506 2.211 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001210216846 801352741 /nfs/dbraw/zinc/35/27/41/801352741.db2.gz ADHLGXQQHYMSIC-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CCN(CCCNC(=O)CCCC[NH+](C)C)Cc1cccnc1 ZINC001230906851 801527964 /nfs/dbraw/zinc/52/79/64/801527964.db2.gz WJLOAQZWGBHAGX-UHFFFAOYSA-N 1 3 320.481 2.142 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCC2)C1 ZINC001216514966 801982446 /nfs/dbraw/zinc/98/24/46/801982446.db2.gz LSNSXBYBPJDQPV-NVXWUHKLSA-N 1 3 309.498 2.345 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]C/C=C\Cl)C1 ZINC001216844651 802032305 /nfs/dbraw/zinc/03/23/05/802032305.db2.gz HXULZKSHWIUJRI-ILUVHHAISA-N 1 3 313.873 2.050 20 0 DEADHO C[NH2+]Cc1ccc(-c2nc(-c3ccc4c(n3)CCNC4)no2)cc1 ZINC001216902716 802037374 /nfs/dbraw/zinc/03/73/74/802037374.db2.gz VZIDBUXEJIYXFA-UHFFFAOYSA-N 1 3 321.384 2.164 20 0 DEADHO CC(C)C1(C(=O)Nc2cc([C@H]3CCCN3)no2)CC[NH2+]CC1 ZINC001218710957 802229917 /nfs/dbraw/zinc/22/99/17/802229917.db2.gz IXXOARJPXHVXTC-GFCCVEGCSA-N 1 3 306.410 2.063 20 0 DEADHO CC(C)[C@]1(C(=O)Nc2cc([C@H]3CCCN3)no2)CCC[NH2+]C1 ZINC001218711706 802230479 /nfs/dbraw/zinc/23/04/79/802230479.db2.gz MIJUIOLQBDJWDF-WBMJQRKESA-N 1 3 306.410 2.063 20 0 DEADHO COc1cc(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)cc(OC)c1 ZINC001218810548 802243967 /nfs/dbraw/zinc/24/39/67/802243967.db2.gz XLHIHFBRGMGFAM-INIZCTEOSA-N 1 3 323.437 2.138 20 0 DEADHO CC[C@H](C)c1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cc1 ZINC001218810996 802244809 /nfs/dbraw/zinc/24/48/09/802244809.db2.gz YYXZGHZHFPPXEH-JCKWVBRZSA-N 1 3 301.434 2.338 20 0 DEADHO N[C@H](CCC[NH3+])C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC001218859677 802251073 /nfs/dbraw/zinc/25/10/73/802251073.db2.gz FCXQUDULFBTNHH-CYBMUJFWSA-N 1 3 319.405 2.123 20 0 DEADHO Cc1nc2c(cccc2NC(=O)[C@@H](N)CCCC[NH+](C)C)o1 ZINC001218865199 802251878 /nfs/dbraw/zinc/25/18/78/802251878.db2.gz QWCDQQLSKSOXNW-LBPRGKRZSA-N 1 3 304.394 2.134 20 0 DEADHO COc1ccc(-c2ccccc2NC(=O)[C@H](N)CCC[NH3+])cc1 ZINC001218953749 802263986 /nfs/dbraw/zinc/26/39/86/802263986.db2.gz SLNYRAOVBCLEDW-MRXNPFEDSA-N 1 3 313.401 2.367 20 0 DEADHO N[C@@H](CCCC[NH3+])C(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC001218970416 802266530 /nfs/dbraw/zinc/26/65/30/802266530.db2.gz UOXPSRMRJAOYCZ-LBPRGKRZSA-N 1 3 319.327 2.023 20 0 DEADHO N[C@@H](CCCC[NH3+])C(=O)Nc1cccc(OC(F)(F)F)c1F ZINC001218961133 802266874 /nfs/dbraw/zinc/26/68/74/802266874.db2.gz UKEIHLVCLVWVRT-QMMMGPOBSA-N 1 3 323.290 2.119 20 0 DEADHO CC(=O)c1c(F)cccc1NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001219000642 802273225 /nfs/dbraw/zinc/27/32/25/802273225.db2.gz VWWWLHUYGXUDDC-AWEZNQCLSA-N 1 3 323.412 2.462 20 0 DEADHO N[C@@H](CCOCc1ccccc1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC001219345225 802314200 /nfs/dbraw/zinc/31/42/00/802314200.db2.gz CRXRAKYBEOETCY-KRWDZBQOSA-N 1 3 313.401 2.018 20 0 DEADHO O=C(N[C@@H]1CC[NH2+][C@H]1c1ccccc1)c1ccc2c(c1)CNC2 ZINC001219820623 802381379 /nfs/dbraw/zinc/38/13/79/802381379.db2.gz QFVOBZBFVAXHEM-MSOLQXFVSA-N 1 3 307.397 2.123 20 0 DEADHO N[C@H](CCC[NH3+])C(=O)NCc1cccc(-c2cccs2)c1 ZINC001220451654 802461630 /nfs/dbraw/zinc/46/16/30/802461630.db2.gz VMDHDYFJKWTXAU-CQSZACIVSA-N 1 3 303.431 2.098 20 0 DEADHO CC(C)(CNC(=O)[C@@H](N)CCCC[NH3+])c1c[nH]c2ccccc21 ZINC001220843507 802503993 /nfs/dbraw/zinc/50/39/93/802503993.db2.gz XGWVHZAKPWBBPI-HNNXBMFYSA-N 1 3 316.449 2.018 20 0 DEADHO CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]1CCC[C@H](c2ccccc2)N1 ZINC001220859674 802505534 /nfs/dbraw/zinc/50/55/34/802505534.db2.gz JBRRFTRLBIJXDZ-PMPSAXMXSA-N 1 3 303.450 2.359 20 0 DEADHO CC(C)(C)[C@@H](N)C(=O)N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221034719 802522485 /nfs/dbraw/zinc/52/24/85/802522485.db2.gz RXJMGWGGPZBWJE-HOTGVXAUSA-N 1 3 321.440 2.356 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)N(CC)CC)[C@@H]2C1 ZINC001221811600 802618227 /nfs/dbraw/zinc/61/82/27/802618227.db2.gz BQELBWJGEZLIBS-IXDOHACOSA-N 1 3 309.498 2.440 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)N(CC)CC)[C@@H]2C1 ZINC001221811600 802618230 /nfs/dbraw/zinc/61/82/30/802618230.db2.gz BQELBWJGEZLIBS-IXDOHACOSA-N 1 3 309.498 2.440 20 0 DEADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21 ZINC001221919170 802627580 /nfs/dbraw/zinc/62/75/80/802627580.db2.gz BNUBUAXESRASGT-QZTJIDSGSA-N 1 3 319.493 2.361 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21 ZINC001221919170 802627584 /nfs/dbraw/zinc/62/75/84/802627584.db2.gz BNUBUAXESRASGT-QZTJIDSGSA-N 1 3 319.493 2.361 20 0 DEADHO CC(C)=CCN1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221958275 802628791 /nfs/dbraw/zinc/62/87/91/802628791.db2.gz NUFRLUKHASCPNX-IAGOWNOFSA-N 1 3 307.482 2.217 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1CCN(C/C=C\Cl)CC1)[NH+](C)C ZINC001223533415 802797806 /nfs/dbraw/zinc/79/78/06/802797806.db2.gz IVWZEBSZRDZKOW-KKTNHOPESA-N 1 3 315.889 2.153 20 0 DEADHO CC(C)=CC[NH+]1CCC(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001224559425 802881253 /nfs/dbraw/zinc/88/12/53/802881253.db2.gz NOVCHFZBAALDGR-INIZCTEOSA-N 1 3 307.482 2.123 20 0 DEADHO CC[C@@H](C(=O)NCC1CC[NH+](CC2CCCC2)CC1)N(C)C ZINC001224583280 802884105 /nfs/dbraw/zinc/88/41/05/802884105.db2.gz PBTUMAUQBIONLH-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO CCCCC[NH+]1CCC(CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001225284764 802951701 /nfs/dbraw/zinc/95/17/01/802951701.db2.gz IQDYCACMZXXKDD-UHFFFAOYSA-N 1 3 306.454 2.279 20 0 DEADHO CC(C)N(C)CC(=O)NCC1CC[NH+](CCC(F)(F)F)CC1 ZINC001225582096 802986896 /nfs/dbraw/zinc/98/68/96/802986896.db2.gz CXUSVPYPHNQSDV-UHFFFAOYSA-N 1 3 323.403 2.107 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1NCc1cncs1 ZINC001228261352 803336079 /nfs/dbraw/zinc/33/60/79/803336079.db2.gz JWJFFSZDYFFQPS-HUUCEWRRSA-N 1 3 324.494 2.002 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC=C(C)C)C1 ZINC001330708758 1149265423 /nfs/dbraw/zinc/26/54/23/1149265423.db2.gz PBABEUWOTBBMCX-ULQDDVLXSA-N 1 3 307.482 2.311 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CCC1)C1CC1 ZINC001370182811 1149417397 /nfs/dbraw/zinc/41/73/97/1149417397.db2.gz YFXDXQKUBFTXLA-IRXDYDNUSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]([NH2+]C/C=C\Cl)C1CC1 ZINC001419250061 1168346313 /nfs/dbraw/zinc/34/63/13/1168346313.db2.gz KEFCSBWIIISCHL-FEDKZRLMSA-N 1 3 313.873 2.096 20 0 DEADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cccc(C)c1)N(C)C ZINC001420137290 1169189603 /nfs/dbraw/zinc/18/96/03/1169189603.db2.gz FFRQFGMBOGUZHV-WBVHZDCISA-N 1 3 305.466 2.320 20 0 DEADHO C[C@@H](CN(C)Cc1ccc(Cl)cc1)NC(=O)CC[NH+](C)C ZINC001420624574 1169835551 /nfs/dbraw/zinc/83/55/51/1169835551.db2.gz YFJHKFNGSPWHQM-ZDUSSCGKSA-N 1 3 311.857 2.228 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@@H]2C1 ZINC001368357933 1148424025 /nfs/dbraw/zinc/42/40/25/1148424025.db2.gz CUHDMAAUSXRETC-IYBDPMFKSA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@H+](CCC(C)(C)C)C[C@@H]2C1 ZINC001368357933 1148424029 /nfs/dbraw/zinc/42/40/29/1148424029.db2.gz CUHDMAAUSXRETC-IYBDPMFKSA-N 1 3 309.498 2.153 20 0 DEADHO CC[C@@H](F)CN1CCC2(CN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001368423468 1148441283 /nfs/dbraw/zinc/44/12/83/1148441283.db2.gz NILKOYGOWQABTF-OAHLLOKOSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@@H](F)CN1CCC2(CN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001368423468 1148441286 /nfs/dbraw/zinc/44/12/86/1148441286.db2.gz NILKOYGOWQABTF-OAHLLOKOSA-N 1 3 313.461 2.001 20 0 DEADHO Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)CN(C)C(C)C)cc1 ZINC001425084781 1174170996 /nfs/dbraw/zinc/17/09/96/1174170996.db2.gz KWJOUUKFKVSMBA-MRXNPFEDSA-N 1 3 305.466 2.272 20 0 DEADHO Cc1ccc(C[N@H+](C)[C@H](C)CNC(=O)CN(C)C(C)C)cc1 ZINC001425084781 1174170997 /nfs/dbraw/zinc/17/09/97/1174170997.db2.gz KWJOUUKFKVSMBA-MRXNPFEDSA-N 1 3 305.466 2.272 20 0 DEADHO C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C)C1(C)CC1 ZINC001460888192 1058532601 /nfs/dbraw/zinc/53/26/01/1058532601.db2.gz FCCQIWHQWMINCU-GDBMZVCRSA-N 1 3 303.450 2.184 20 0 DEADHO C[N@@H+]1CCC[C@H](CCNCc2cnc(C3OCCO3)s2)C1 ZINC001461566452 1058679983 /nfs/dbraw/zinc/67/99/83/1058679983.db2.gz RITDIHOGPWNPST-GFCCVEGCSA-N 1 3 311.451 2.010 20 0 DEADHO C[N@H+]1CCC[C@H](CCNCc2cnc(C3OCCO3)s2)C1 ZINC001461566452 1058679990 /nfs/dbraw/zinc/67/99/90/1058679990.db2.gz RITDIHOGPWNPST-GFCCVEGCSA-N 1 3 311.451 2.010 20 0 DEADHO CN(CC(=O)N1CC[C@@](C)(C[NH2+]CCC2CC2)C1)C1CCC1 ZINC001500354672 1058717814 /nfs/dbraw/zinc/71/78/14/1058717814.db2.gz WWNTZQUYMRUIDU-SFHVURJKSA-N 1 3 307.482 2.099 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CCC2CC2)C3)CCC1 ZINC001501006079 1059195383 /nfs/dbraw/zinc/19/53/83/1059195383.db2.gz NSWHWVPKZDCXOZ-BBWFWOEESA-N 1 3 319.493 2.240 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCC2CC2)C3)CCC1 ZINC001501006079 1059195390 /nfs/dbraw/zinc/19/53/90/1059195390.db2.gz NSWHWVPKZDCXOZ-BBWFWOEESA-N 1 3 319.493 2.240 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C/C=C\Cl)C2 ZINC001501007504 1059198708 /nfs/dbraw/zinc/19/87/08/1059198708.db2.gz DRMIVIUGQJULSM-AGWXYYIZSA-N 1 3 313.873 2.050 20 0 DEADHO C[C@H]1C[N@H+](CCCNCc2cccc3nsnc32)CCCO1 ZINC001474110538 1060819027 /nfs/dbraw/zinc/81/90/27/1060819027.db2.gz MJTFABLINXQCCB-ZDUSSCGKSA-N 1 3 320.462 2.282 20 0 DEADHO C[C@H]1C[N@@H+](CCCNCc2cccc3nsnc32)CCCO1 ZINC001474110538 1060819041 /nfs/dbraw/zinc/81/90/41/1060819041.db2.gz MJTFABLINXQCCB-ZDUSSCGKSA-N 1 3 320.462 2.282 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CC1CCCC1 ZINC001505930932 1061146411 /nfs/dbraw/zinc/14/64/11/1061146411.db2.gz RBHCSUHOPDFZCE-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CC1CCCC1 ZINC001505930932 1061146416 /nfs/dbraw/zinc/14/64/16/1061146416.db2.gz RBHCSUHOPDFZCE-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[N@H+](C)CC1=CCCCC1 ZINC001506002213 1061249418 /nfs/dbraw/zinc/24/94/18/1061249418.db2.gz QNPRAZOGXMXCHU-CVEARBPZSA-N 1 3 307.482 2.265 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[N@@H+](C)CC1=CCCCC1 ZINC001506002213 1061249436 /nfs/dbraw/zinc/24/94/36/1061249436.db2.gz QNPRAZOGXMXCHU-CVEARBPZSA-N 1 3 307.482 2.265 20 0 DEADHO CCCC[NH2+][C@@H]1CCCCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001479691937 1061606003 /nfs/dbraw/zinc/60/60/03/1061606003.db2.gz GZATVSBYUJETIS-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2CC23CC[NH+](CC2CCC2)CC3)CCC1 ZINC001479981233 1062143496 /nfs/dbraw/zinc/14/34/96/1062143496.db2.gz NLBBAWOPWQBTNN-INIZCTEOSA-N 1 3 319.493 2.242 20 0 DEADHO CCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001506658098 1062245305 /nfs/dbraw/zinc/24/53/05/1062245305.db2.gz CZGWXUSEAOABMY-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](C(=O)N1CC[C@H](NC/C=C\Cl)C1)[NH+]1CCCCCC1 ZINC001480117880 1062344196 /nfs/dbraw/zinc/34/41/96/1062344196.db2.gz JSNRZXCJNROGDW-MSSSOJMCSA-N 1 3 313.873 2.194 20 0 DEADHO C[NH+](C)CCCCC(=O)N[C@H]1C[C@H](NCc2ccccc2F)C1 ZINC001480167585 1062417344 /nfs/dbraw/zinc/41/73/44/1062417344.db2.gz RNHMRQYIYLCNMR-WKILWMFISA-N 1 3 321.440 2.294 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCCc2ccsc2)C1)N(C)C ZINC001480232095 1062494583 /nfs/dbraw/zinc/49/45/83/1062494583.db2.gz NKCZOSVVPKLCRE-XHSDSOJGSA-N 1 3 323.506 2.258 20 0 DEADHO Cc1ccc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)CN(C)C(C)C)C2)c1 ZINC001480237613 1062501444 /nfs/dbraw/zinc/50/14/44/1062501444.db2.gz FXCCRYTYOUCXRS-HDICACEKSA-N 1 3 317.477 2.380 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[NH2+]CC[C@@H](C)F ZINC001480366644 1062720238 /nfs/dbraw/zinc/72/02/38/1062720238.db2.gz BJCTXWCFAQRATR-HUUCEWRRSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]C/C=C/Cl ZINC001369196224 1148867095 /nfs/dbraw/zinc/86/70/95/1148867095.db2.gz UIFNUZZDSGBKTM-OAUONFCTSA-N 1 3 315.889 2.344 20 0 DEADHO C[C@H](CNC(=O)CCC[NH+]1CCCC1)NCc1cccc(F)c1 ZINC001480597517 1063091053 /nfs/dbraw/zinc/09/10/53/1063091053.db2.gz QKNHQMGKCOXFSO-OAHLLOKOSA-N 1 3 321.440 2.296 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)c1cccc(F)c1 ZINC001480597527 1063091435 /nfs/dbraw/zinc/09/14/35/1063091435.db2.gz QNMUQNHNGIVSOY-ZIAGYGMSSA-N 1 3 309.429 2.321 20 0 DEADHO CC[C@H](C(=O)NCCC[C@H]1CCC[N@@H+]1CC1CCC1)N(C)C ZINC001480826577 1063408258 /nfs/dbraw/zinc/40/82/58/1063408258.db2.gz SELUQVALKPPINP-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)NCCC[C@H]1CCC[N@H+]1CC1CCC1)N(C)C ZINC001480826577 1063408277 /nfs/dbraw/zinc/40/82/77/1063408277.db2.gz SELUQVALKPPINP-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCCCCF)C1 ZINC001567734924 1064387680 /nfs/dbraw/zinc/38/76/80/1064387680.db2.gz HVJZDPRZWKOFRX-JKSUJKDBSA-N 1 3 313.461 2.001 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCCCCF)C1 ZINC001567734924 1064387688 /nfs/dbraw/zinc/38/76/88/1064387688.db2.gz HVJZDPRZWKOFRX-JKSUJKDBSA-N 1 3 313.461 2.001 20 0 DEADHO Cc1ccc(C[NH2+]C/C=C\CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001568863523 1065165070 /nfs/dbraw/zinc/16/50/70/1065165070.db2.gz WNCDUHAKTQKGQD-PLNGDYQASA-N 1 3 315.461 2.241 20 0 DEADHO C[C@@H](C[NH2+]CCCc1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001569062176 1065264976 /nfs/dbraw/zinc/26/49/76/1065264976.db2.gz XZYQKLNYVKYONK-INIZCTEOSA-N 1 3 317.477 2.198 20 0 DEADHO C[C@H](C[NH2+]CCCC1CCCC1)N(C)C(=O)Cc1c[nH]cn1 ZINC001496173179 1065322650 /nfs/dbraw/zinc/32/26/50/1065322650.db2.gz ZVGQFYVHSYVQAR-CQSZACIVSA-N 1 3 306.454 2.359 20 0 DEADHO C[C@@H](C[NH2+]CCC1CCCCC1)N(C)C(=O)CN1CCCC1 ZINC001496230440 1065351548 /nfs/dbraw/zinc/35/15/48/1065351548.db2.gz WPLVWHAFWBWKCV-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CN(CCC[N@H+](C)CC1=CCCCC1)C(=O)CN1CCCC1 ZINC001327292211 1148515889 /nfs/dbraw/zinc/51/58/89/1148515889.db2.gz YLUHWZYFBCWABV-UHFFFAOYSA-N 1 3 307.482 2.363 20 0 DEADHO CN(CCC[N@@H+](C)CC1=CCCCC1)C(=O)CN1CCCC1 ZINC001327292211 1148515907 /nfs/dbraw/zinc/51/59/07/1148515907.db2.gz YLUHWZYFBCWABV-UHFFFAOYSA-N 1 3 307.482 2.363 20 0 DEADHO C[C@@H](F)CC[NH2+]C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001569559496 1065592679 /nfs/dbraw/zinc/59/26/79/1065592679.db2.gz NEWTWPOSOSJSGC-CVEARBPZSA-N 1 3 313.461 2.047 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@H]2CN(C(=O)CN(C)CCC)C[C@H]2C1 ZINC001569881343 1065788739 /nfs/dbraw/zinc/78/87/39/1065788739.db2.gz CEANHQQDGKYQKC-UGZFAFSNSA-N 1 3 307.482 2.075 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@H]2CN(C(=O)CN(C)CCC)C[C@H]2C1 ZINC001569881343 1065788747 /nfs/dbraw/zinc/78/87/47/1065788747.db2.gz CEANHQQDGKYQKC-UGZFAFSNSA-N 1 3 307.482 2.075 20 0 DEADHO CCN(CCNC/C=C\Cl)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001497403723 1066075725 /nfs/dbraw/zinc/07/57/25/1066075725.db2.gz MYHYISYBWORLCS-UQYHUFHVSA-N 1 3 301.862 2.051 20 0 DEADHO CCN(CCNC/C=C\Cl)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001497403723 1066075734 /nfs/dbraw/zinc/07/57/34/1066075734.db2.gz MYHYISYBWORLCS-UQYHUFHVSA-N 1 3 301.862 2.051 20 0 DEADHO CC(C)CCC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001570514374 1066101873 /nfs/dbraw/zinc/10/18/73/1066101873.db2.gz WCBGNYCCMGFXEC-INIZCTEOSA-N 1 3 306.454 2.359 20 0 DEADHO CCCC[NH2+]C/C=C/CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001497681667 1066235903 /nfs/dbraw/zinc/23/59/03/1066235903.db2.gz SYAGFQAROXXHAV-OZSKJFCKSA-N 1 3 313.461 2.261 20 0 DEADHO CCc1ccccc1C[NH2+]C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001497827647 1066350588 /nfs/dbraw/zinc/35/05/88/1066350588.db2.gz MOAVHJVHSDFCRT-OAHLLOKOSA-N 1 3 317.477 2.328 20 0 DEADHO CC(C)[N@H+](CCc1ccccc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC001575690685 1066402623 /nfs/dbraw/zinc/40/26/23/1066402623.db2.gz YVQTUTKOBNKBEE-GOSISDBHSA-N 1 3 317.477 2.137 20 0 DEADHO CC(C)[N@@H+](CCc1ccccc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC001575690685 1066402627 /nfs/dbraw/zinc/40/26/27/1066402627.db2.gz YVQTUTKOBNKBEE-GOSISDBHSA-N 1 3 317.477 2.137 20 0 DEADHO C[C@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)CN(C)CC(C)(C)C ZINC001497910495 1066410107 /nfs/dbraw/zinc/41/01/07/1066410107.db2.gz MCIKQQXWPQWCJD-GFCCVEGCSA-N 1 3 319.440 2.104 20 0 DEADHO C[C@H](CNCc1ccccc1F)NC(=O)CCC[NH+]1CCCC1 ZINC001497989610 1066448268 /nfs/dbraw/zinc/44/82/68/1066448268.db2.gz DCPGVXLJUDFFDS-OAHLLOKOSA-N 1 3 321.440 2.296 20 0 DEADHO C[C@@H](CCCc1cccnc1)NCc1cc(C2C[NH2+]C2)no1 ZINC001575953425 1066465724 /nfs/dbraw/zinc/46/57/24/1066465724.db2.gz LARGMPLGMUCCJU-ZDUSSCGKSA-N 1 3 300.406 2.257 20 0 DEADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1C[C@@H](O)CC[C@@H](O)c1ccccc1 ZINC001576117140 1066497590 /nfs/dbraw/zinc/49/75/90/1066497590.db2.gz IBDGDZTYKHAUEP-LEUOFYLZSA-N 1 3 306.450 2.063 20 0 DEADHO C[C@H](N)[C@@H]1CCCC[N@H+]1C[C@@H](O)CC[C@@H](O)c1ccccc1 ZINC001576117140 1066497593 /nfs/dbraw/zinc/49/75/93/1066497593.db2.gz IBDGDZTYKHAUEP-LEUOFYLZSA-N 1 3 306.450 2.063 20 0 DEADHO C[C@@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H](c1ccccc1)N(C)C ZINC001576219187 1066525391 /nfs/dbraw/zinc/52/53/91/1066525391.db2.gz YXFTZMPTIHVFPI-DZUCGIPZSA-N 1 3 303.450 2.312 20 0 DEADHO C[C@H](c1cccc(Cl)c1)N(C)C[C@H]1CC2(C[NH2+]C2)C(=O)O1 ZINC001576301325 1066553730 /nfs/dbraw/zinc/55/37/30/1066553730.db2.gz KVCDCYLIQKWQCK-BXUZGUMPSA-N 1 3 308.809 2.238 20 0 DEADHO C[C@H](c1nc(-c2cccnc2)no1)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC001576317110 1066559291 /nfs/dbraw/zinc/55/92/91/1066559291.db2.gz UZHDYRDOHCGCOD-YRGRVCCFSA-N 1 3 301.394 2.109 20 0 DEADHO CC1(C)C[NH2+]C[C@@H]1C(=O)N(CCN1CCCC1)c1ccccc1 ZINC001576469163 1066616918 /nfs/dbraw/zinc/61/69/18/1066616918.db2.gz LIKKCIUHWWTAPB-QGZVFWFLSA-N 1 3 315.461 2.361 20 0 DEADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCC[C@H]1Sc2ccccc2NC1=O ZINC001576747450 1066677621 /nfs/dbraw/zinc/67/76/21/1066677621.db2.gz AGHGCQJZWUNVJF-BHTHQVBYSA-N 1 3 319.474 2.466 20 0 DEADHO C[C@@H]1CN(CC2(C[NH3+])CC2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001576802106 1066692954 /nfs/dbraw/zinc/69/29/54/1066692954.db2.gz WCYIMRCILIXOLZ-ZIAGYGMSSA-N 1 3 311.470 2.208 20 0 DEADHO CN(C)C1(C(=O)N(C)CCC[NH2+]Cc2ccsc2)CCC1 ZINC001498559094 1066777323 /nfs/dbraw/zinc/77/73/23/1066777323.db2.gz BQDUWKUQQUDCNX-UHFFFAOYSA-N 1 3 309.479 2.171 20 0 DEADHO CC[C@@H]([NH2+]C)C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC001577172044 1066780127 /nfs/dbraw/zinc/78/01/27/1066780127.db2.gz IGZOGFQFYTWANU-IAGOWNOFSA-N 1 3 321.465 2.191 20 0 DEADHO CN(CCC[NH2+]CC1CC2(CCC2)C1)C(=O)[C@H]1CCCN1C ZINC001498592029 1066791046 /nfs/dbraw/zinc/79/10/46/1066791046.db2.gz MAYRYNHVHYEXPY-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO CCC1([NH+]2CCCCC2)CCN(C(=O)[C@@H](N)CC(F)F)CC1 ZINC001577230574 1066793962 /nfs/dbraw/zinc/79/39/62/1066793962.db2.gz QONDXEKGNDKEFD-ZDUSSCGKSA-N 1 3 317.424 2.226 20 0 DEADHO CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1cccc(C)c1)N(C)C ZINC001498641910 1066816252 /nfs/dbraw/zinc/81/62/52/1066816252.db2.gz QIAJXNKKSJOJAL-KRWDZBQOSA-N 1 3 305.466 2.273 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C[NH2+]CCC(F)(F)F)C1CC1)N(C)C ZINC001498856375 1066923632 /nfs/dbraw/zinc/92/36/32/1066923632.db2.gz DCXYJERBOLODMH-OLZOCXBDSA-N 1 3 323.403 2.009 20 0 DEADHO COC(=O)c1ccc2c(c1)[C@H](CNC[C@@]13C[C@@H]1C[NH2+]C3)CCC2 ZINC001578874103 1067186658 /nfs/dbraw/zinc/18/66/58/1067186658.db2.gz JXYXSUAVSSQLLJ-FRQCXROJSA-N 1 3 314.429 2.092 20 0 DEADHO Cc1cccc(C[NH2+]C2(CNC(=O)CN3CC[C@@H](C)C3)CC2)c1 ZINC001499352401 1067194531 /nfs/dbraw/zinc/19/45/31/1067194531.db2.gz MYPAFBBEIPDYRI-MRXNPFEDSA-N 1 3 315.461 2.075 20 0 DEADHO COC[C@H](CC(C)(C)C)NCc1ccc(N2CC[NH2+]CC2)o1 ZINC001578960592 1067211787 /nfs/dbraw/zinc/21/17/87/1067211787.db2.gz LQQHUGUFKSTNKM-AWEZNQCLSA-N 1 3 309.454 2.230 20 0 DEADHO Cc1c(C[C@@H](CN)C[N@@H+](C)[C@H](C)Cc2cccs2)cnn1C ZINC001579530606 1067362346 /nfs/dbraw/zinc/36/23/46/1067362346.db2.gz WCRXHPLWMPUSKE-HIFRSBDPSA-N 1 3 320.506 2.470 20 0 DEADHO Cc1c(C[C@@H](CN)C[N@H+](C)[C@H](C)Cc2cccs2)cnn1C ZINC001579530606 1067362360 /nfs/dbraw/zinc/36/23/60/1067362360.db2.gz WCRXHPLWMPUSKE-HIFRSBDPSA-N 1 3 320.506 2.470 20 0 DEADHO Cc1c(C[C@@H](C[NH3+])CN(C)[C@H](C)Cc2cccs2)cnn1C ZINC001579530606 1067362373 /nfs/dbraw/zinc/36/23/73/1067362373.db2.gz WCRXHPLWMPUSKE-HIFRSBDPSA-N 1 3 320.506 2.470 20 0 DEADHO Cc1cccc(OCCNCc2ccc(N3CC[NH2+]CC3)o2)c1 ZINC001579772070 1067420530 /nfs/dbraw/zinc/42/05/30/1067420530.db2.gz ZWHSFQVPOSGRCK-UHFFFAOYSA-N 1 3 315.417 2.166 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)[C@H]1C ZINC001571466194 1068317054 /nfs/dbraw/zinc/31/70/54/1068317054.db2.gz QWLIQQZXOXDYTL-WBVHZDCISA-N 1 3 307.482 2.408 20 0 DEADHO C[NH+](C)CCCCC(=O)NC[C@H]1CCN(CCC(F)(F)F)C1 ZINC001267305716 1078751790 /nfs/dbraw/zinc/75/17/90/1078751790.db2.gz BYZDOQVQRACSBR-CYBMUJFWSA-N 1 3 323.403 2.109 20 0 DEADHO C[C@H](N)C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC001573552679 1069037541 /nfs/dbraw/zinc/03/75/41/1069037541.db2.gz HFKLYRFITBZNNI-JTQLQIEISA-N 1 3 311.813 2.099 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCC[C@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001272419847 1078859295 /nfs/dbraw/zinc/85/92/95/1078859295.db2.gz ISQJCMRADDMBSJ-SJLPKXTDSA-N 1 3 309.498 2.299 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCC[C@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001272419847 1078859299 /nfs/dbraw/zinc/85/92/99/1078859299.db2.gz ISQJCMRADDMBSJ-SJLPKXTDSA-N 1 3 309.498 2.299 20 0 DEADHO CCCCC[N@@H+]1CCC[C@@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001272469922 1078903108 /nfs/dbraw/zinc/90/31/08/1078903108.db2.gz CKQOTRIOYZSARU-SFHVURJKSA-N 1 3 309.498 2.443 20 0 DEADHO CCCCC[N@H+]1CCC[C@@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001272469922 1078903113 /nfs/dbraw/zinc/90/31/13/1078903113.db2.gz CKQOTRIOYZSARU-SFHVURJKSA-N 1 3 309.498 2.443 20 0 DEADHO CCCCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001267485196 1078909703 /nfs/dbraw/zinc/90/97/03/1078909703.db2.gz SNKSMRVYWCWOFS-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@@H+]2C1)[C@H]1CCN(C)C1 ZINC001548724424 1072843948 /nfs/dbraw/zinc/84/39/48/1072843948.db2.gz LYUJSMPEJDYTJM-VQHPVUNQSA-N 1 3 307.482 2.050 20 0 DEADHO CCCN(C(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@H+]2C1)[C@H]1CCN(C)C1 ZINC001548724424 1072843952 /nfs/dbraw/zinc/84/39/52/1072843952.db2.gz LYUJSMPEJDYTJM-VQHPVUNQSA-N 1 3 307.482 2.050 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc2c(c1)CNC2 ZINC001548921191 1072939890 /nfs/dbraw/zinc/93/98/90/1072939890.db2.gz PPOVSHBTVWZBBR-MRXNPFEDSA-N 1 3 302.422 2.286 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc2c(c1)CNC2 ZINC001548921191 1072939893 /nfs/dbraw/zinc/93/98/93/1072939893.db2.gz PPOVSHBTVWZBBR-MRXNPFEDSA-N 1 3 302.422 2.286 20 0 DEADHO C[C@@H]1C[C@H](NC[C@H]2C[C@@H](F)CN2Cc2cccs2)CC[NH2+]1 ZINC001549039194 1072991809 /nfs/dbraw/zinc/99/18/09/1072991809.db2.gz XELWDBVBWFXKDY-KBUPBQIOSA-N 1 3 311.470 2.391 20 0 DEADHO CC(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001409903563 1079081532 /nfs/dbraw/zinc/08/15/32/1079081532.db2.gz IAKZCWISIUOCJW-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1ccc(C[N@@H+](C)CCCNC(=O)CN(C)C2CCC2)cc1 ZINC001649436019 1079117588 /nfs/dbraw/zinc/11/75/88/1079117588.db2.gz QOTDTANFPTUQCQ-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO Cc1ccc(C[N@H+](C)CCCNC(=O)CN(C)C2CCC2)cc1 ZINC001649436019 1079117595 /nfs/dbraw/zinc/11/75/95/1079117595.db2.gz QOTDTANFPTUQCQ-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO CCC1(N2CCC2)CC[NH+](C[C@H]2CCCCN(C)C2=O)CC1 ZINC001550312311 1073581645 /nfs/dbraw/zinc/58/16/45/1073581645.db2.gz LIJFZQIAQIKBAI-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO CCC1([NH+]2CCC2)CCN(C[C@H]2CCCCN(C)C2=O)CC1 ZINC001550312311 1073581658 /nfs/dbraw/zinc/58/16/58/1073581658.db2.gz LIJFZQIAQIKBAI-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@H]1C[C@H]1c1noc(CC2CCN(C[C@H]3C[NH2+]C[C@H]3C)CC2)n1 ZINC001550350092 1073609400 /nfs/dbraw/zinc/60/94/00/1073609400.db2.gz HZZXVTKNOGZLTD-SJXGUFTOSA-N 1 3 318.465 2.303 20 0 DEADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](N[C@@H](C)c1ccccn1)[C@@H](O)C2 ZINC001550352134 1073610503 /nfs/dbraw/zinc/61/05/03/1073610503.db2.gz NFWCBUKYHYGEAA-JWYNJWGYSA-N 1 3 303.450 2.212 20 0 DEADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](N[C@@H](C)c1ccccn1)[C@@H](O)C2 ZINC001550352134 1073610506 /nfs/dbraw/zinc/61/05/06/1073610506.db2.gz NFWCBUKYHYGEAA-JWYNJWGYSA-N 1 3 303.450 2.212 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NCc1ccc(Cl)nc1)C2 ZINC001550422470 1073647686 /nfs/dbraw/zinc/64/76/86/1073647686.db2.gz WROUEZQCXIYVPZ-OTRWWLKZSA-N 1 3 323.868 2.304 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NCc1ccc(Cl)nc1)C2 ZINC001550422470 1073647688 /nfs/dbraw/zinc/64/76/88/1073647688.db2.gz WROUEZQCXIYVPZ-OTRWWLKZSA-N 1 3 323.868 2.304 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3cc(C)ns3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550424056 1073649195 /nfs/dbraw/zinc/64/91/95/1073649195.db2.gz XNUXFXKYGHKEFZ-QZWWFDLISA-N 1 3 323.506 2.411 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3cc(C)ns3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550424056 1073649198 /nfs/dbraw/zinc/64/91/98/1073649198.db2.gz XNUXFXKYGHKEFZ-QZWWFDLISA-N 1 3 323.506 2.411 20 0 DEADHO Cc1noc([C@]23CCC[C@@H]2C[N@@H+](CC[C@H]2CCCN2C)C3)n1 ZINC001550550291 1073719645 /nfs/dbraw/zinc/71/96/45/1073719645.db2.gz JLXVYPNAGJXNKF-INMHGKMJSA-N 1 3 304.438 2.216 20 0 DEADHO Cc1noc([C@]23CCC[C@@H]2C[N@H+](CC[C@H]2CCCN2C)C3)n1 ZINC001550550291 1073719650 /nfs/dbraw/zinc/71/96/50/1073719650.db2.gz JLXVYPNAGJXNKF-INMHGKMJSA-N 1 3 304.438 2.216 20 0 DEADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3conc3C3CC3)CC2)C1 ZINC001550703975 1073814203 /nfs/dbraw/zinc/81/42/03/1073814203.db2.gz VRBRMUKSHYAOHW-CVEARBPZSA-N 1 3 305.422 2.270 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C[C@@H]4CCCC[C@H]4C3=O)C[C@H]2C1 ZINC001551380537 1074197679 /nfs/dbraw/zinc/19/76/79/1074197679.db2.gz DMYHQWWTDREVGA-CWQOZTLDSA-N 1 3 319.493 2.255 20 0 DEADHO CC[C@@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)[C@H]1CCOC1 ZINC001551387493 1074200936 /nfs/dbraw/zinc/20/09/36/1074200936.db2.gz BNQCHTRCMMWSNZ-PBHCIXSXSA-N 1 3 310.482 2.425 20 0 DEADHO C[C@@H]1COC[C@@H](C)C1[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001551403187 1074207297 /nfs/dbraw/zinc/20/72/97/1074207297.db2.gz XEMRXOCQEBWAGN-RSIVFMTNSA-N 1 3 310.482 2.281 20 0 DEADHO O[C@@H]1CCCC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001551466520 1074229621 /nfs/dbraw/zinc/22/96/21/1074229621.db2.gz MTTAFGCDOXLBEY-ZWKOTPCHSA-N 1 3 303.450 2.187 20 0 DEADHO C[N@H+](CCOc1ccccc1)Cc1ccc(NC(=O)CN)cc1 ZINC001646167193 1074355865 /nfs/dbraw/zinc/35/58/65/1074355865.db2.gz MJCDOAMIYQEWLE-UHFFFAOYSA-N 1 3 313.401 2.095 20 0 DEADHO C[N@@H+](CCOc1ccccc1)Cc1ccc(NC(=O)CN)cc1 ZINC001646167193 1074355877 /nfs/dbraw/zinc/35/58/77/1074355877.db2.gz MJCDOAMIYQEWLE-UHFFFAOYSA-N 1 3 313.401 2.095 20 0 DEADHO c1cc2c(cc1-c1nc([C@H]3CN4CCC3CC4)no1)C[NH2+]CC2 ZINC001649844721 1079259396 /nfs/dbraw/zinc/25/93/96/1079259396.db2.gz SCJUAUPRZIIZJJ-INIZCTEOSA-N 1 3 310.401 2.192 20 0 DEADHO O=C1Nc2ccccc2CC[C@@H]1N1CCCC2(CC[NH2+]CC2)C1 ZINC001649849410 1079263400 /nfs/dbraw/zinc/26/34/00/1079263400.db2.gz LKFKBCGSMCGSTF-KRWDZBQOSA-N 1 3 313.445 2.406 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001368644187 1148546780 /nfs/dbraw/zinc/54/67/80/1148546780.db2.gz KJXBLVAWTKDQKO-QWHCGFSZSA-N 1 3 323.403 2.154 20 0 DEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCO[C@@H]2c2nccn2C)C1 ZINC001552383277 1074561846 /nfs/dbraw/zinc/56/18/46/1074561846.db2.gz WJBVNFVAVRUOGB-TWMKSMIVSA-N 1 3 320.481 2.350 20 0 DEADHO CC(C)[C@@H]1CN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CCN1 ZINC001552426203 1074575620 /nfs/dbraw/zinc/57/56/20/1074575620.db2.gz QQRJHQCEQFJZNG-WMZOPIPTSA-N 1 3 315.461 2.135 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)NC[C@H]1C[NH2+]Cc2ccccc21 ZINC001552584752 1074613637 /nfs/dbraw/zinc/61/36/37/1074613637.db2.gz QDPXTQOFLWVUDF-APWZRJJASA-N 1 3 321.424 2.224 20 0 DEADHO C[NH+](C)CCC(=O)N1CC[C@](C)(CNC/C(Cl)=C\Cl)C1 ZINC001484111024 1079309430 /nfs/dbraw/zinc/30/94/30/1079309430.db2.gz URJXXOZBZYPFLS-CEFACKQISA-N 1 3 322.280 2.085 20 0 DEADHO CN1CC[C@H](CN[C@H]2CC[NH2+]C23CCCC3)[C@H]1c1cccnc1 ZINC001553027818 1074741391 /nfs/dbraw/zinc/74/13/91/1074741391.db2.gz OTWVZUIWRVPTNI-FGTMMUONSA-N 1 3 314.477 2.339 20 0 DEADHO C[C@H]([NH3+])c1ccc(NC(=O)c2cnc([C@@H]3CCCN3)nc2)cc1 ZINC001553360074 1074847760 /nfs/dbraw/zinc/84/77/60/1074847760.db2.gz YKZRMJQQISHIKU-NHYWBVRUSA-N 1 3 311.389 2.173 20 0 DEADHO C[NH+](C)Cc1ccc(NC(=O)CNC2CC2)cc1C(F)(F)F ZINC001647381966 1074904857 /nfs/dbraw/zinc/90/48/57/1074904857.db2.gz DDVDZFWQDFKUQN-UHFFFAOYSA-N 1 3 315.339 2.458 20 0 DEADHO CCCC[NH2+][C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001566773783 1075341479 /nfs/dbraw/zinc/34/14/79/1075341479.db2.gz QBQLRIMFWZJRBO-YOEHRIQHSA-N 1 3 313.461 2.190 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@H](CC[NH3+])C1)c1ccco1 ZINC001650170553 1079435237 /nfs/dbraw/zinc/43/52/37/1079435237.db2.gz PTOGPJIBXUAXES-SOUVJXGZSA-N 1 3 322.453 2.089 20 0 DEADHO O=C(CCN1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)Nc1cccnc1 ZINC001580534063 1075946650 /nfs/dbraw/zinc/94/66/50/1075946650.db2.gz NCIYMIKQCAKCAV-NVXWUHKLSA-N 1 3 316.449 2.264 20 0 DEADHO O[C@@H](CNC1(c2ccc(F)cc2F)CCC1)C1CC[NH2+]CC1 ZINC001580878180 1076010874 /nfs/dbraw/zinc/01/08/74/1076010874.db2.gz LIGZGCVIBXDABM-INIZCTEOSA-N 1 3 310.388 2.294 20 0 DEADHO O[C@@H]1CCCN(C[C@@]23C[C@@H]2C[NH2+]C3)[C@H]1CCc1ccccc1 ZINC001580879699 1076012005 /nfs/dbraw/zinc/01/20/05/1076012005.db2.gz CPZKTGVEUPFKMQ-HCXYKTFWSA-N 1 3 300.446 2.054 20 0 DEADHO c1nnn(-c2ccccc2)c1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC001580892155 1076015887 /nfs/dbraw/zinc/01/58/87/1076015887.db2.gz PAMPOBGFOFTNLR-CVEARBPZSA-N 1 3 311.433 2.089 20 0 DEADHO Cc1cc(-c2nnn[n-]2)cc(C)c1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC001591845709 1076792761 /nfs/dbraw/zinc/79/27/61/1076792761.db2.gz CCUKOKQJYOVAKC-KGLIPLIRSA-N 1 3 314.437 2.043 20 0 DEADHO Cc1cc(-c2nnn[n-]2)cc(C)c1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC001591845709 1076792764 /nfs/dbraw/zinc/79/27/64/1076792764.db2.gz CCUKOKQJYOVAKC-KGLIPLIRSA-N 1 3 314.437 2.043 20 0 DEADHO [NH3+]CCCCCC[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001592743808 1076957937 /nfs/dbraw/zinc/95/79/37/1076957937.db2.gz DJHQZPQXPAALGE-INIZCTEOSA-N 1 3 314.437 2.353 20 0 DEADHO [NH3+]CCCCCC[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001592743808 1076957941 /nfs/dbraw/zinc/95/79/41/1076957941.db2.gz DJHQZPQXPAALGE-INIZCTEOSA-N 1 3 314.437 2.353 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001650348066 1079547319 /nfs/dbraw/zinc/54/73/19/1079547319.db2.gz JVQNAZMKLWHAPT-XOYOTBSWSA-N 1 3 315.461 2.141 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C[NH2+]CCC1CC1 ZINC001484376706 1079572225 /nfs/dbraw/zinc/57/22/25/1079572225.db2.gz JDGNQRWAOKHVAV-RDJZCZTQSA-N 1 3 323.525 2.449 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC001650379946 1079574014 /nfs/dbraw/zinc/57/40/14/1079574014.db2.gz YJDYENVUJAULKG-ZNMIVQPWSA-N 1 3 301.434 2.338 20 0 DEADHO O=C(Nc1cccc2c1C[NH2+]C2)c1cccc2c1OCCNC2 ZINC001650385514 1079578291 /nfs/dbraw/zinc/57/82/91/1079578291.db2.gz ZKUVPDMUASIXHV-UHFFFAOYSA-N 1 3 309.369 2.024 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1CC[C@H]([NH2+]CCCF)CC1 ZINC001267932244 1079613569 /nfs/dbraw/zinc/61/35/69/1079613569.db2.gz GLQOWNFHEGBMBJ-VGWMRTNUSA-N 1 3 313.461 2.236 20 0 DEADHO C[C@H]([NH2+]CCF)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001481341457 1079736617 /nfs/dbraw/zinc/73/66/17/1079736617.db2.gz HOUJZMKCNLXKST-AWEZNQCLSA-N 1 3 315.477 2.151 20 0 DEADHO CC(C)N(CCF)CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001481355711 1079750227 /nfs/dbraw/zinc/75/02/27/1079750227.db2.gz OWVMUZPQCVFLQR-UHFFFAOYSA-N 1 3 315.477 2.293 20 0 DEADHO CCOc1ccccc1C[NH2+]C[C@H](C)N1CCN(CC)CC1 ZINC000067671644 1079899398 /nfs/dbraw/zinc/89/93/98/1079899398.db2.gz JOQQVALARUBPEU-INIZCTEOSA-N 1 3 305.466 2.201 20 0 DEADHO Cc1cccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001485156483 1080019213 /nfs/dbraw/zinc/01/92/13/1080019213.db2.gz HINGVHUPNCHUTH-CVEARBPZSA-N 1 3 317.477 2.462 20 0 DEADHO Cc1ccccc1C[N@@H+](C)[C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001485314673 1080133634 /nfs/dbraw/zinc/13/36/34/1080133634.db2.gz TZHDCRJXRLLVPH-INIZCTEOSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1ccccc1C[N@H+](C)[C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001485314673 1080133640 /nfs/dbraw/zinc/13/36/40/1080133640.db2.gz TZHDCRJXRLLVPH-INIZCTEOSA-N 1 3 317.477 2.416 20 0 DEADHO CC(C)(C(=O)NCC1C[NH+](CC2CC(C)(C)C2)C1)N1CCCC1 ZINC001481639097 1080192726 /nfs/dbraw/zinc/19/27/26/1080192726.db2.gz UVZRMIVEKRJDDM-UHFFFAOYSA-N 1 3 321.509 2.345 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]([NH2+]CC1CC(C)C1)C(C)C ZINC001485792247 1080437152 /nfs/dbraw/zinc/43/71/52/1080437152.db2.gz XAEUTALHADCYHB-AVVWSFFYSA-N 1 3 320.481 2.427 20 0 DEADHO CN(C(=O)C(C)(C)N1CCCCC1)[C@H](C[NH2+]CCF)C1CC1 ZINC001485812155 1080469516 /nfs/dbraw/zinc/46/95/16/1080469516.db2.gz UQGYFTHBSAFQGY-OAHLLOKOSA-N 1 3 313.461 2.047 20 0 DEADHO CN(CC(=O)N(C)[C@H](C[NH2+]C/C=C/Cl)C1CC1)C1CCC1 ZINC001485813603 1080485276 /nfs/dbraw/zinc/48/52/76/1080485276.db2.gz LHCDZYKWYMSOCB-BCFOUKGLSA-N 1 3 313.873 2.050 20 0 DEADHO CCCC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001661690460 1080507462 /nfs/dbraw/zinc/50/74/62/1080507462.db2.gz PDEVZPXCOJOBEO-CALCHBBNSA-N 1 3 303.450 2.399 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCC2CC2)[C@H](C)C1 ZINC001107036519 1080551765 /nfs/dbraw/zinc/55/17/65/1080551765.db2.gz NINQZUBULQBHHI-NXHRZFHOSA-N 1 3 321.509 2.345 20 0 DEADHO CCN(CCNCc1ccsc1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268474046 1080575018 /nfs/dbraw/zinc/57/50/18/1080575018.db2.gz LFBHIVFOWJGXDQ-HOCLYGCPSA-N 1 3 323.506 2.417 20 0 DEADHO CCN(CCNCc1ccsc1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001268474046 1080575022 /nfs/dbraw/zinc/57/50/22/1080575022.db2.gz LFBHIVFOWJGXDQ-HOCLYGCPSA-N 1 3 323.506 2.417 20 0 DEADHO CC(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C(C)(C)N1CCCC1 ZINC001485820713 1080582772 /nfs/dbraw/zinc/58/27/72/1080582772.db2.gz SJGNKDXGWLEYLU-INIZCTEOSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)N[C@](C)(C[NH2+]Cc1ccccc1)C1CC1)N(C)C ZINC001481942171 1080632533 /nfs/dbraw/zinc/63/25/33/1080632533.db2.gz HVGHTJQYFJLFME-PKOBYXMFSA-N 1 3 317.477 2.401 20 0 DEADHO C[C@@H](C(=O)N[C@](C)(C[NH2+]CCF)C1CC1)N1CCCCCC1 ZINC001481945161 1080635323 /nfs/dbraw/zinc/63/53/23/1080635323.db2.gz WUKOYQADMLMQRG-WMLDXEAASA-N 1 3 313.461 2.095 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([N@H+](C)CCCCCF)C1 ZINC001662877855 1080671188 /nfs/dbraw/zinc/67/11/88/1080671188.db2.gz IGEGZVNUTFNEEL-MRXNPFEDSA-N 1 3 315.477 2.389 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([N@@H+](C)CCCCCF)C1 ZINC001662877855 1080671192 /nfs/dbraw/zinc/67/11/92/1080671192.db2.gz IGEGZVNUTFNEEL-MRXNPFEDSA-N 1 3 315.477 2.389 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC[C@H](C)F)CC1)N(C)C ZINC001482021142 1080695991 /nfs/dbraw/zinc/69/59/91/1080695991.db2.gz PJAWHXLNHQVFLY-AJNGGQMLSA-N 1 3 301.450 2.092 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C\CNCc1ccsc1 ZINC001268552547 1080748138 /nfs/dbraw/zinc/74/81/38/1080748138.db2.gz NOMNMUQYPLCKRW-RXYHWBRQSA-N 1 3 321.490 2.385 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC/C=C\CNCc1ccsc1 ZINC001268552547 1080748146 /nfs/dbraw/zinc/74/81/46/1080748146.db2.gz NOMNMUQYPLCKRW-RXYHWBRQSA-N 1 3 321.490 2.385 20 0 DEADHO C[N@H+](CCCCCF)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001664890982 1080976767 /nfs/dbraw/zinc/97/67/67/1080976767.db2.gz MNHXGGGTHIXLSE-UHFFFAOYSA-N 1 3 324.444 2.262 20 0 DEADHO C[N@@H+](CCCCCF)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001664890982 1080976773 /nfs/dbraw/zinc/97/67/73/1080976773.db2.gz MNHXGGGTHIXLSE-UHFFFAOYSA-N 1 3 324.444 2.262 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H](CC[NH2+]CC2CCC2)C1)N(C)C ZINC001666120021 1081125638 /nfs/dbraw/zinc/12/56/38/1081125638.db2.gz LQVZFDDCWNUKFZ-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H]([NH2+]CCCF)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001667332655 1081239372 /nfs/dbraw/zinc/23/93/72/1081239372.db2.gz OVAKHMUYJWNJQX-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO CCc1cccc(C[NH2+]C/C=C\CNC(=O)CN2CCCC2)c1 ZINC001669189777 1081436788 /nfs/dbraw/zinc/43/67/88/1081436788.db2.gz RJFVSINODNMYRJ-ARJAWSKDSA-N 1 3 315.461 2.107 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCc1ccccc1)N(C)C ZINC001270137116 1081458123 /nfs/dbraw/zinc/45/81/23/1081458123.db2.gz UTDQDRDOOUITOZ-MSOLQXFVSA-N 1 3 317.477 2.150 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001270180000 1081466847 /nfs/dbraw/zinc/46/68/47/1081466847.db2.gz SBTLJQCOGHWIRG-GOSISDBHSA-N 1 3 316.449 2.209 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001270180000 1081466850 /nfs/dbraw/zinc/46/68/50/1081466850.db2.gz SBTLJQCOGHWIRG-GOSISDBHSA-N 1 3 316.449 2.209 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC2(CC[N@@H+](C3CCCC3)C2)CC1 ZINC001270179416 1081467144 /nfs/dbraw/zinc/46/71/44/1081467144.db2.gz LNZFPYRKSUMDCA-UHFFFAOYSA-N 1 3 316.449 2.209 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001270179416 1081467148 /nfs/dbraw/zinc/46/71/48/1081467148.db2.gz LNZFPYRKSUMDCA-UHFFFAOYSA-N 1 3 316.449 2.209 20 0 DEADHO CCC/C=C/CC[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001270189116 1081470560 /nfs/dbraw/zinc/47/05/60/1081470560.db2.gz YEHWKYJDHBYJBQ-BDUNBXCCSA-N 1 3 307.482 2.409 20 0 DEADHO c1c[nH]c(CN2CC[C@H]3C[N@@H+](Cc4cncnc4)C[C@H]3CC2)c1 ZINC001276302292 1081496090 /nfs/dbraw/zinc/49/60/90/1081496090.db2.gz MZEXZEHVYQUYOF-CALCHBBNSA-N 1 3 311.433 2.149 20 0 DEADHO c1c[nH]c(CN2CC[C@H]3C[N@H+](Cc4cncnc4)C[C@H]3CC2)c1 ZINC001276302292 1081496094 /nfs/dbraw/zinc/49/60/94/1081496094.db2.gz MZEXZEHVYQUYOF-CALCHBBNSA-N 1 3 311.433 2.149 20 0 DEADHO CCCCCC[NH2+]C[C@@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001671346775 1081514147 /nfs/dbraw/zinc/51/41/47/1081514147.db2.gz LCEYKHYKWQBGMK-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@H](C[NH2+]Cc1ccccc1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001482292263 1081536647 /nfs/dbraw/zinc/53/66/47/1081536647.db2.gz PUWJASADTDWQQN-HNNXBMFYSA-N 1 3 303.450 2.107 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]CC=C(Cl)Cl)N(C)C ZINC001270509008 1081540750 /nfs/dbraw/zinc/54/07/50/1081540750.db2.gz WKEMWOWTOBDQGE-WCQYABFASA-N 1 3 324.296 2.234 20 0 DEADHO CC(C)C[C@@H](C[NH2+]CC1CC1)NC(=O)[C@@H]1CCCN1C(C)C ZINC001482384153 1081783901 /nfs/dbraw/zinc/78/39/01/1081783901.db2.gz KSABKDNTYDKLBR-IRXDYDNUSA-N 1 3 309.498 2.390 20 0 DEADHO CN(CC(=O)NC[C@H]([NH2+]CC1=CCCCC1)C1CC1)C1CCC1 ZINC001266412456 1082026979 /nfs/dbraw/zinc/02/69/79/1082026979.db2.gz UBVMQHYWECSCQG-SFHVURJKSA-N 1 3 319.493 2.456 20 0 DEADHO C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)[C@@H]1CNCCF ZINC001271759305 1082148103 /nfs/dbraw/zinc/14/81/03/1082148103.db2.gz OYAUBUIHZUAFBA-HZPDHXFCSA-N 1 3 313.461 2.049 20 0 DEADHO CC(C)[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccsc1 ZINC001482570667 1082247452 /nfs/dbraw/zinc/24/74/52/1082247452.db2.gz DMJMNJYAVOVTQG-OAHLLOKOSA-N 1 3 311.495 2.319 20 0 DEADHO Cc1ccc(F)cc1CNCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266704274 1082294807 /nfs/dbraw/zinc/29/48/07/1082294807.db2.gz YTDKQOHUNZIAIS-RHSMWYFYSA-N 1 3 321.440 2.022 20 0 DEADHO Cc1ccc(F)cc1CNCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266704274 1082294809 /nfs/dbraw/zinc/29/48/09/1082294809.db2.gz YTDKQOHUNZIAIS-RHSMWYFYSA-N 1 3 321.440 2.022 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CCC(F)(F)F)C1)N(C)C ZINC001266807121 1082359582 /nfs/dbraw/zinc/35/95/82/1082359582.db2.gz DBTHREHJNBTVOZ-STQMWFEESA-N 1 3 323.403 2.107 20 0 DEADHO CN(CC[N@H+](C)Cc1ccccc1)C(=O)CN(C)C1CCC1 ZINC001482603175 1082371255 /nfs/dbraw/zinc/37/12/55/1082371255.db2.gz VXXWXQHGQTXFOG-UHFFFAOYSA-N 1 3 303.450 2.061 20 0 DEADHO CN(CC[N@@H+](C)Cc1ccccc1)C(=O)CN(C)C1CCC1 ZINC001482603175 1082371258 /nfs/dbraw/zinc/37/12/58/1082371258.db2.gz VXXWXQHGQTXFOG-UHFFFAOYSA-N 1 3 303.450 2.061 20 0 DEADHO CC[C@@H](F)CNCCN(CC)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001482960608 1082580801 /nfs/dbraw/zinc/58/08/01/1082580801.db2.gz QZEWVGYBINIZLN-MRXNPFEDSA-N 1 3 315.477 2.293 20 0 DEADHO CN(C)C1(C(=O)NC/C=C\C[NH2+]CC2CC(C)(C)C2)CCC1 ZINC001483016996 1082626537 /nfs/dbraw/zinc/62/65/37/1082626537.db2.gz HUOQSBDFPVIINZ-WAYWQWQTSA-N 1 3 307.482 2.169 20 0 DEADHO Cc1cc(C)cc(C[NH2+]C[C@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001483234822 1082905578 /nfs/dbraw/zinc/90/55/78/1082905578.db2.gz ZYJGMRBPIIUDSY-INIZCTEOSA-N 1 3 317.477 2.382 20 0 DEADHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCC1CN(C(=O)OC(C)(C)C)C1 ZINC001276412501 1083419472 /nfs/dbraw/zinc/41/94/72/1083419472.db2.gz IVBCLYSSTDLSLJ-MQVJKMGUSA-N 1 3 323.481 2.458 20 0 DEADHO CC(C)NC(=O)N1CC2(C1)CCN(CC(C)(C)C[NH+](C)C)CC2 ZINC001276658056 1083535693 /nfs/dbraw/zinc/53/56/93/1083535693.db2.gz GDUBMCOUENSWNN-UHFFFAOYSA-N 1 3 324.513 2.090 20 0 DEADHO Cc1cc(C)c(CN2CCC[C@]3(CC[N@@H+](CCN(C)C)C3)C2)[nH]1 ZINC001276796897 1083614759 /nfs/dbraw/zinc/61/47/59/1083614759.db2.gz WTJPYPSGQUWFAS-LJQANCHMSA-N 1 3 318.509 2.481 20 0 DEADHO Cc1cc(C)c(CN2CCC[C@]3(CC[N@H+](CCN(C)C)C3)C2)[nH]1 ZINC001276796897 1083614762 /nfs/dbraw/zinc/61/47/62/1083614762.db2.gz WTJPYPSGQUWFAS-LJQANCHMSA-N 1 3 318.509 2.481 20 0 DEADHO CC(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001277092342 1083771435 /nfs/dbraw/zinc/77/14/35/1083771435.db2.gz CAYHIGHDEUNESV-QBPKDAKJSA-N 1 3 309.498 2.390 20 0 DEADHO CCN(CC)CC[C@H](C)[NH2+]C1CCN(C(=O)C(F)(F)F)CC1 ZINC001255954604 1083977764 /nfs/dbraw/zinc/97/77/64/1083977764.db2.gz FTNMCLBWTOYGDJ-LBPRGKRZSA-N 1 3 323.403 2.250 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@H+](CC3CC3)CC[C@H]21 ZINC001490984215 1083988452 /nfs/dbraw/zinc/98/84/52/1083988452.db2.gz RKGHMBPARMPGFQ-DLBZAZTESA-N 1 3 307.482 2.051 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@@H+](CC3CC3)CC[C@H]21 ZINC001490984215 1083988460 /nfs/dbraw/zinc/98/84/60/1083988460.db2.gz RKGHMBPARMPGFQ-DLBZAZTESA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)CCCN1CC[C@@H]2C[C@@]21C(=O)NC1CC[NH+](C)CC1 ZINC001277533897 1084024513 /nfs/dbraw/zinc/02/45/13/1084024513.db2.gz ZRTBJAKVXNETAV-QAPCUYQASA-N 1 3 307.482 2.097 20 0 DEADHO CCCC[NH2+]C[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001491181133 1084130665 /nfs/dbraw/zinc/13/06/65/1084130665.db2.gz HSJYPYFJHQSPQP-QGZVFWFLSA-N 1 3 309.498 2.347 20 0 DEADHO CCCCCCN(C)CC(=O)NCCC[NH2+]CCOC(C)C ZINC001168615216 1084180777 /nfs/dbraw/zinc/18/07/77/1084180777.db2.gz MIZQBEWNWJKBIK-UHFFFAOYSA-N 1 3 315.502 2.019 20 0 DEADHO Cc1ccccc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001491454976 1084323407 /nfs/dbraw/zinc/32/34/07/1084323407.db2.gz NGINDBNSIAIMDZ-AEFFLSMTSA-N 1 3 317.477 2.462 20 0 DEADHO Cc1ccc(F)cc1C[NH2+][C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001491480615 1084337070 /nfs/dbraw/zinc/33/70/70/1084337070.db2.gz KVLRLDMXDMQGDK-CQSZACIVSA-N 1 3 321.440 2.213 20 0 DEADHO CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C1CC1)N(C)C ZINC001235355720 1084401983 /nfs/dbraw/zinc/40/19/83/1084401983.db2.gz SUVSUOVWFIZXQE-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C1CC1)N(C)C ZINC001235355720 1084401988 /nfs/dbraw/zinc/40/19/88/1084401988.db2.gz SUVSUOVWFIZXQE-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CN(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCC1CCC1)C1CC1 ZINC001235352844 1084402635 /nfs/dbraw/zinc/40/26/35/1084402635.db2.gz CHFIEBFHDVIQEA-ZWKOTPCHSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CCCC1CCC1)C1CC1 ZINC001235352844 1084402641 /nfs/dbraw/zinc/40/26/41/1084402641.db2.gz CHFIEBFHDVIQEA-ZWKOTPCHSA-N 1 3 321.509 2.440 20 0 DEADHO CN(Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](CCCO)CC2 ZINC001235559649 1084468171 /nfs/dbraw/zinc/46/81/71/1084468171.db2.gz NWGGABPWTGSCDZ-GOSISDBHSA-N 1 3 318.461 2.124 20 0 DEADHO FC1(CN2CCN[C@@H](c3ccc(Cl)cc3)C2)CC[NH2+]CC1 ZINC001235790763 1084531491 /nfs/dbraw/zinc/53/14/91/1084531491.db2.gz QWFZMWAWGMWQLY-OAHLLOKOSA-N 1 3 311.832 2.378 20 0 DEADHO Cc1cc(CN2CCC[C@H](N3CC([NH3+])C3)C2)ccc1OC(C)C ZINC001236079310 1084607203 /nfs/dbraw/zinc/60/72/03/1084607203.db2.gz QVFXGRBPMYKSKH-SFHVURJKSA-N 1 3 317.477 2.390 20 0 DEADHO CC[NH2+][C@@H]1C[C@H](NC(=O)c2ccccc2CN(C)C)C12CCC2 ZINC001078820281 1084900990 /nfs/dbraw/zinc/90/09/90/1084900990.db2.gz WAFXIQRNWYEBQY-SJORKVTESA-N 1 3 315.461 2.399 20 0 DEADHO CC[NH2+][C@H](CCNC(=O)CN1CC[C@@H](C)C1)Cc1ccccc1 ZINC001486187734 1085116513 /nfs/dbraw/zinc/11/65/13/1085116513.db2.gz BSVMGMBSNNNSFP-SJLPKXTDSA-N 1 3 317.477 2.055 20 0 DEADHO CC[C@H](C)C[N@H+](C)C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001494136493 1085171129 /nfs/dbraw/zinc/17/11/29/1085171129.db2.gz DRQBZZPMIZGLOE-JKSUJKDBSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C)C[N@@H+](C)C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001494136493 1085171134 /nfs/dbraw/zinc/17/11/34/1085171134.db2.gz DRQBZZPMIZGLOE-JKSUJKDBSA-N 1 3 309.498 2.297 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@H](C[NH2+]CCF)C(C)(C)C)c1 ZINC001486423002 1085296994 /nfs/dbraw/zinc/29/69/94/1085296994.db2.gz DKBFCPJSVCKMPB-INIZCTEOSA-N 1 3 323.456 2.452 20 0 DEADHO CC1CC(C[N@H+](C)C[C@@H]2CCCN2C(=O)CN(C)C2CCC2)C1 ZINC000960667755 1085407303 /nfs/dbraw/zinc/40/73/03/1085407303.db2.gz JFCPITVJMKZHBH-HTWSVDAQSA-N 1 3 321.509 2.440 20 0 DEADHO CC1CC(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CN(C)C2CCC2)C1 ZINC000960667755 1085407315 /nfs/dbraw/zinc/40/73/15/1085407315.db2.gz JFCPITVJMKZHBH-HTWSVDAQSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCC1)C1CC1 ZINC000960679591 1085411543 /nfs/dbraw/zinc/41/15/43/1085411543.db2.gz JFVJZXPYMSIWRC-SJORKVTESA-N 1 3 307.482 2.050 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC1)C1CC1 ZINC000960679591 1085411546 /nfs/dbraw/zinc/41/15/46/1085411546.db2.gz JFVJZXPYMSIWRC-SJORKVTESA-N 1 3 307.482 2.050 20 0 DEADHO CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000960863825 1085488037 /nfs/dbraw/zinc/48/80/37/1085488037.db2.gz NMIAINDTAGNYAB-PBHICJAKSA-N 1 3 313.461 2.142 20 0 DEADHO CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000960863825 1085488040 /nfs/dbraw/zinc/48/80/40/1085488040.db2.gz NMIAINDTAGNYAB-PBHICJAKSA-N 1 3 313.461 2.142 20 0 DEADHO CCCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961237047 1085649832 /nfs/dbraw/zinc/64/98/32/1085649832.db2.gz ZYPCFIKUPGOPPO-HOTGVXAUSA-N 1 3 318.465 2.313 20 0 DEADHO CCCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961237047 1085649837 /nfs/dbraw/zinc/64/98/37/1085649837.db2.gz ZYPCFIKUPGOPPO-HOTGVXAUSA-N 1 3 318.465 2.313 20 0 DEADHO CCN(CC)CCNC(=[NH2+])Nc1cc(Cl)nc(SC)n1 ZINC001163122881 1086960482 /nfs/dbraw/zinc/96/04/82/1086960482.db2.gz TZYXXXBRIWDJKM-UHFFFAOYSA-N 1 3 316.862 2.130 20 0 DEADHO CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CN(CC2CCCCC2)C1 ZINC000957386392 1088247118 /nfs/dbraw/zinc/24/71/18/1088247118.db2.gz XLPPEDDVJMRXRB-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(CC2CCCCC2)C1 ZINC000957386392 1088247128 /nfs/dbraw/zinc/24/71/28/1088247128.db2.gz XLPPEDDVJMRXRB-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CC[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)CC1 ZINC000957559632 1088409812 /nfs/dbraw/zinc/40/98/12/1088409812.db2.gz MTXNALDPQPQZAQ-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(C)C)C[C@H]1C ZINC001080021878 1088566868 /nfs/dbraw/zinc/56/68/68/1088566868.db2.gz WMYZSZCYUIZMAY-BRWVUGGUSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(C)C)C[C@H]1C ZINC001080021878 1088566879 /nfs/dbraw/zinc/56/68/79/1088566879.db2.gz WMYZSZCYUIZMAY-BRWVUGGUSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001080188404 1088667860 /nfs/dbraw/zinc/66/78/60/1088667860.db2.gz GJTCDJCUQBZPHK-KBAYOESNSA-N 1 3 319.493 2.264 20 0 DEADHO CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@@H]1C ZINC001114832498 1088934428 /nfs/dbraw/zinc/93/44/28/1088934428.db2.gz SAWMZJPDBCBWSU-LISAXSMJSA-N 1 3 307.482 2.097 20 0 DEADHO CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@@H]1C ZINC001114832498 1088934437 /nfs/dbraw/zinc/93/44/37/1088934437.db2.gz SAWMZJPDBCBWSU-LISAXSMJSA-N 1 3 307.482 2.097 20 0 DEADHO CC[NH2+]C[C@H]1c2ccccc2CCN1C(=O)[C@H](C(C)C)N(C)C ZINC000958792114 1089186201 /nfs/dbraw/zinc/18/62/01/1089186201.db2.gz ZKVKFNZMRIVVLS-ROUUACIJSA-N 1 3 317.477 2.308 20 0 DEADHO CC[NH2+]C[C@@H]1c2ccccc2CCN1C(=O)CN1CCC[C@H]1C ZINC000958803140 1089192545 /nfs/dbraw/zinc/19/25/45/1089192545.db2.gz NGCLHSOXSOVRCT-CRAIPNDOSA-N 1 3 315.461 2.206 20 0 DEADHO CC[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC000959879212 1089814166 /nfs/dbraw/zinc/81/41/66/1089814166.db2.gz YKHFYWJSLWTDEY-MWDXBVQZSA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC000959879212 1089814175 /nfs/dbraw/zinc/81/41/75/1089814175.db2.gz YKHFYWJSLWTDEY-MWDXBVQZSA-N 1 3 321.509 2.343 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC000960130498 1089976107 /nfs/dbraw/zinc/97/61/07/1089976107.db2.gz JAHJADXTYMYJOL-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO CC1(C)CCN(CC(=O)N2CCCC[C@H]2C[NH2+]CC2CC2)C1 ZINC000960132254 1089977310 /nfs/dbraw/zinc/97/73/10/1089977310.db2.gz VAOASFAFIIZWBP-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCC2)C1 ZINC001082943603 1090109629 /nfs/dbraw/zinc/10/96/29/1090109629.db2.gz RGSOVLWWIOXNJI-KBAYOESNSA-N 1 3 321.509 2.488 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001084701651 1090402516 /nfs/dbraw/zinc/40/25/16/1090402516.db2.gz MKOBWIREKVZZPU-BRWVUGGUSA-N 1 3 307.482 2.192 20 0 DEADHO CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001084701651 1090402520 /nfs/dbraw/zinc/40/25/20/1090402520.db2.gz MKOBWIREKVZZPU-BRWVUGGUSA-N 1 3 307.482 2.192 20 0 DEADHO C[C@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)NCc1ccsc1 ZINC001410480314 1091010944 /nfs/dbraw/zinc/01/09/44/1091010944.db2.gz DAHXEQZVHCBKNE-ZIAGYGMSSA-N 1 3 309.479 2.026 20 0 DEADHO C[C@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)NCc1ccsc1 ZINC001410480314 1091010950 /nfs/dbraw/zinc/01/09/50/1091010950.db2.gz DAHXEQZVHCBKNE-ZIAGYGMSSA-N 1 3 309.479 2.026 20 0 DEADHO [NH3+]CCc1ccc2c(c1)CCCN2C(=O)c1ccc2c(c1)CNC2 ZINC001649136188 1091010964 /nfs/dbraw/zinc/01/09/64/1091010964.db2.gz OTJCLKBDNAHJRL-UHFFFAOYSA-N 1 3 321.424 2.384 20 0 DEADHO CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc1cc(C)ccc1C)N(C)C ZINC001274371100 1091211184 /nfs/dbraw/zinc/21/11/84/1091211184.db2.gz WEFSIHCXOMJYDM-ZEVQVBBLSA-N 1 3 317.477 2.406 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)NC/C=C/CNCc2cccc(Cl)c2)C1 ZINC001274578588 1091306008 /nfs/dbraw/zinc/30/60/08/1091306008.db2.gz KJYARHNYNKUBTL-FAAWYNLUSA-N 1 3 321.852 2.054 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)NC/C=C/CNCc2cccc(Cl)c2)C1 ZINC001274578588 1091306017 /nfs/dbraw/zinc/30/60/17/1091306017.db2.gz KJYARHNYNKUBTL-FAAWYNLUSA-N 1 3 321.852 2.054 20 0 DEADHO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)CN1CC[C@@H](C)C1 ZINC001412494457 1091454469 /nfs/dbraw/zinc/45/44/69/1091454469.db2.gz BCXSHKRBFZKOKT-MRXNPFEDSA-N 1 3 309.498 2.155 20 0 DEADHO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2Cc1cc(O)cc(Cl)c1 ZINC001276126578 1091574679 /nfs/dbraw/zinc/57/46/79/1091574679.db2.gz VINQXLSUILEEFQ-IRXDYDNUSA-N 1 3 323.868 2.256 20 0 DEADHO Cc1ccc(CN2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)cc1F ZINC001276233440 1091721724 /nfs/dbraw/zinc/72/17/24/1091721724.db2.gz YSMUUTPZEKYYRC-ROUUACIJSA-N 1 3 305.441 2.344 20 0 DEADHO Cc1ccc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)cc1F ZINC001276233440 1091721732 /nfs/dbraw/zinc/72/17/32/1091721732.db2.gz YSMUUTPZEKYYRC-ROUUACIJSA-N 1 3 305.441 2.344 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC001412724252 1091727640 /nfs/dbraw/zinc/72/76/40/1091727640.db2.gz HFNMACCKWRBIGZ-UHFFFAOYSA-N 1 3 318.465 2.420 20 0 DEADHO Cc1cc(C)cc(C[NH2+]CCCN(C)C(=O)Cc2c[nH]cn2)c1 ZINC001276245791 1091735822 /nfs/dbraw/zinc/73/58/22/1091735822.db2.gz VVFJOEQREQUTSF-UHFFFAOYSA-N 1 3 314.433 2.207 20 0 DEADHO Cc1cnccc1CN1CCC[C@]2(CC[N@@H+](CCN(C)C)C2)C1 ZINC001276257011 1091748564 /nfs/dbraw/zinc/74/85/64/1091748564.db2.gz QSKRTVKQERXKGI-LJQANCHMSA-N 1 3 316.493 2.240 20 0 DEADHO Cc1cnccc1CN1CCC[C@]2(CC[N@H+](CCN(C)C)C2)C1 ZINC001276257011 1091748569 /nfs/dbraw/zinc/74/85/69/1091748569.db2.gz QSKRTVKQERXKGI-LJQANCHMSA-N 1 3 316.493 2.240 20 0 DEADHO CC/C=C\CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001671086639 1091764344 /nfs/dbraw/zinc/76/43/44/1091764344.db2.gz YVKYFCVDRBCEQG-DDKKJVIOSA-N 1 3 316.449 2.233 20 0 DEADHO CC/C=C\CC[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001671086639 1091764354 /nfs/dbraw/zinc/76/43/54/1091764354.db2.gz YVKYFCVDRBCEQG-DDKKJVIOSA-N 1 3 316.449 2.233 20 0 DEADHO CN(CCC[N@H+](C)CC1=CCCCC1)C(=O)[C@@H]1CCCN1C ZINC001273495993 1091884494 /nfs/dbraw/zinc/88/44/94/1091884494.db2.gz PYUVFXZQXZNCKY-KRWDZBQOSA-N 1 3 307.482 2.361 20 0 DEADHO CN(CCC[N@@H+](C)CC1=CCCCC1)C(=O)[C@@H]1CCCN1C ZINC001273495993 1091884504 /nfs/dbraw/zinc/88/45/04/1091884504.db2.gz PYUVFXZQXZNCKY-KRWDZBQOSA-N 1 3 307.482 2.361 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCCC2CCC2)C1)C1CC1 ZINC001190652797 1091951323 /nfs/dbraw/zinc/95/13/23/1091951323.db2.gz AVDZGBLDSJCEPM-ZWKOTPCHSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCCC2CCC2)C1)C1CC1 ZINC001190652797 1091951331 /nfs/dbraw/zinc/95/13/31/1091951331.db2.gz AVDZGBLDSJCEPM-ZWKOTPCHSA-N 1 3 321.509 2.440 20 0 DEADHO c1n[nH]cc1C[N@H+]1CCC2(C1)CCN(Cc1ccccn1)CC2 ZINC001275873286 1092256172 /nfs/dbraw/zinc/25/61/72/1092256172.db2.gz OBCRKQVCJJLEKX-UHFFFAOYSA-N 1 3 311.433 2.293 20 0 DEADHO c1n[nH]cc1C[N@@H+]1CCC2(C1)CCN(Cc1ccccn1)CC2 ZINC001275873286 1092256184 /nfs/dbraw/zinc/25/61/84/1092256184.db2.gz OBCRKQVCJJLEKX-UHFFFAOYSA-N 1 3 311.433 2.293 20 0 DEADHO C(CN1CCOCC1)N[C@]12CC[C@]([NH2+]C3CCCC3)(C1)CCC2 ZINC001275990716 1092455972 /nfs/dbraw/zinc/45/59/72/1092455972.db2.gz WTRKEDBUVYQBGY-MOPGFXCFSA-N 1 3 321.509 2.286 20 0 DEADHO CC[C@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001488762047 1092738209 /nfs/dbraw/zinc/73/82/09/1092738209.db2.gz RVCGTWZJIBJGSE-SOUVJXGZSA-N 1 3 313.461 2.093 20 0 DEADHO CC[C@H](C(=O)NCCC[N@H+](C)CC1CC2(CCC2)C1)N(C)C ZINC001490214507 1093229256 /nfs/dbraw/zinc/22/92/56/1093229256.db2.gz UIZZZKLFNBHFNX-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)NCCC[N@@H+](C)CC1CC2(CCC2)C1)N(C)C ZINC001490214507 1093229263 /nfs/dbraw/zinc/22/92/63/1093229263.db2.gz UIZZZKLFNBHFNX-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001480120720 1151693871 /nfs/dbraw/zinc/69/38/71/1151693871.db2.gz QZKDTTRMCBSSIH-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)[N@@H+]1CC[C@](C)(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001421222156 1171604077 /nfs/dbraw/zinc/60/40/77/1171604077.db2.gz NFDPJXFKKNGOOS-IRXDYDNUSA-N 1 3 313.461 2.188 20 0 DEADHO CC(C)[N@H+]1CC[C@](C)(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001421222156 1171604081 /nfs/dbraw/zinc/60/40/81/1171604081.db2.gz NFDPJXFKKNGOOS-IRXDYDNUSA-N 1 3 313.461 2.188 20 0 DEADHO c1cc2n(c1CN(Cc1ccccc1)[C@H]1CCC[NH2+]C1)CCNC2 ZINC001236269109 1138344540 /nfs/dbraw/zinc/34/45/40/1138344540.db2.gz FPNVJOCOSPRNBL-SFHVURJKSA-N 1 3 324.472 2.346 20 0 DEADHO Cc1ncsc1CN1CCC2(C1)CC[NH+](C[C@H](C)CO)CC2 ZINC001277998195 1138396428 /nfs/dbraw/zinc/39/64/28/1138396428.db2.gz DKMFMUNWGPEFLP-AWEZNQCLSA-N 1 3 323.506 2.368 20 0 DEADHO NCCC[NH2+]CCCNC(=O)Nc1ccc2ccccc2c1 ZINC001239252625 1139005430 /nfs/dbraw/zinc/00/54/30/1139005430.db2.gz HSENJWJETJAIHI-UHFFFAOYSA-N 1 3 300.406 2.290 20 0 DEADHO [NH3+]Cc1cncc(-c2cccc3cc([C@H]4CNCCO4)cn32)c1 ZINC001239804677 1139122709 /nfs/dbraw/zinc/12/27/09/1139122709.db2.gz UTEXBEPPNQAYHQ-GOSISDBHSA-N 1 3 308.385 2.121 20 0 DEADHO COCCOc1ccc(-c2cc(N3CC[NH2+]CC3)ccn2)cc1 ZINC001241749851 1139848592 /nfs/dbraw/zinc/84/85/92/1139848592.db2.gz WBBWWMFBGSFKQC-UHFFFAOYSA-N 1 3 313.401 2.183 20 0 DEADHO C[NH+]1CCC(n2cc(-c3ccc4c(c3)COC43CNC3)cn2)CC1 ZINC001242730925 1140024872 /nfs/dbraw/zinc/02/48/72/1140024872.db2.gz NOOXMLGFGQMXDJ-UHFFFAOYSA-N 1 3 324.428 2.146 20 0 DEADHO [NH3+]Cc1cnccc1-c1cccc2cc([C@H]3CNCCO3)cn21 ZINC001245562870 1140765140 /nfs/dbraw/zinc/76/51/40/1140765140.db2.gz PSULDZCDSLYROZ-GOSISDBHSA-N 1 3 308.385 2.121 20 0 DEADHO CC(C)Oc1ccccc1OC[C@H](O)C[NH2+]CC1(N)CCCC1 ZINC001245976652 1140840711 /nfs/dbraw/zinc/84/07/11/1140840711.db2.gz VIEPXKYKUNIXIS-OAHLLOKOSA-N 1 3 322.449 2.075 20 0 DEADHO O[C@H](CNC[C@@H]1CCC[NH2+]C1)COc1cccc2ccccc21 ZINC001245982412 1140841176 /nfs/dbraw/zinc/84/11/76/1140841176.db2.gz OYZIBYKHKDXTKT-NVXWUHKLSA-N 1 3 314.429 2.169 20 0 DEADHO CC(C)(C)c1ccc(OC[C@H](O)CNC[C@H]2CCC[NH2+]C2)cc1 ZINC001245984076 1140841688 /nfs/dbraw/zinc/84/16/88/1140841688.db2.gz UZEFLXAOVADPLG-DOTOQJQBSA-N 1 3 320.477 2.313 20 0 DEADHO O[C@]1(CNCCc2ccc(Oc3ccccc3)cc2)CC[NH2+]C1 ZINC001245982827 1140841697 /nfs/dbraw/zinc/84/16/97/1140841697.db2.gz GROLCVZYAXFRQJ-IBGZPJMESA-N 1 3 312.413 2.335 20 0 DEADHO O[C@H](CN[C@@H](c1cccc(F)c1)C1CC[NH2+]CC1)C(F)(F)F ZINC001245999533 1140844341 /nfs/dbraw/zinc/84/43/41/1140844341.db2.gz KPBHEQCJPKXUSZ-ZIAGYGMSSA-N 1 3 320.330 2.379 20 0 DEADHO [NH3+]C[C@H]1CCCCN(C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC001246038812 1140852134 /nfs/dbraw/zinc/85/21/34/1140852134.db2.gz YZSLZCQVGMTISX-UKRRQHHQSA-N 1 3 312.841 2.141 20 0 DEADHO [NH3+]C[C@@H]1CCCCN(C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC001246038810 1140852282 /nfs/dbraw/zinc/85/22/82/1140852282.db2.gz YZSLZCQVGMTISX-DZGCQCFKSA-N 1 3 312.841 2.141 20 0 DEADHO C[C@@H]1CC[C@H](NC[C@@H]2CCC(=O)N(Cc3ccccc3)C2)C[NH2+]1 ZINC001246326792 1140884463 /nfs/dbraw/zinc/88/44/63/1140884463.db2.gz HJXIRGKFCJLJLP-NJAFHUGGSA-N 1 3 315.461 2.155 20 0 DEADHO CCOC(=O)c1ccc(C[C@@H](C)[N@@H+]2C[C@H](C)[C@H](CN)C2)cc1 ZINC001246539511 1140945669 /nfs/dbraw/zinc/94/56/69/1140945669.db2.gz HPHBIEBXQXOUER-JJRVBVJISA-N 1 3 304.434 2.321 20 0 DEADHO CCOC(=O)c1ccc(C[C@@H](C)[N@H+]2C[C@H](C)[C@H](CN)C2)cc1 ZINC001246539511 1140945683 /nfs/dbraw/zinc/94/56/83/1140945683.db2.gz HPHBIEBXQXOUER-JJRVBVJISA-N 1 3 304.434 2.321 20 0 DEADHO CCOC(=O)c1ccc(C[C@@H](C)N2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC001246539511 1140945698 /nfs/dbraw/zinc/94/56/98/1140945698.db2.gz HPHBIEBXQXOUER-JJRVBVJISA-N 1 3 304.434 2.321 20 0 DEADHO COC(=O)[C@@H]1CCC[C@@H](N2CCC(F)(F)[C@H](C[NH3+])C2)CC1 ZINC001246553559 1140958380 /nfs/dbraw/zinc/95/83/80/1140958380.db2.gz BFYVOXVACKRXAO-JHJVBQTASA-N 1 3 304.381 2.024 20 0 DEADHO CC[C@@H](Cc1ccc2c(c1)OCO2)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246628316 1141011362 /nfs/dbraw/zinc/01/13/62/1141011362.db2.gz BZOGXRIFPRQGSN-MAUKXSAKSA-N 1 3 302.418 2.422 20 0 DEADHO C[C@@H](Cc1ccc(F)cc1)N1CCNC[C@@]2(CCCC[NH2+]2)C1 ZINC001246633238 1141014415 /nfs/dbraw/zinc/01/44/15/1141014415.db2.gz NETSAXHMENGMBR-YJBOKZPZSA-N 1 3 305.441 2.174 20 0 DEADHO Cc1ccc(CN2CC[C@@H]3[C@@H]2CCN3[C@@H]2CC[C@H](C)[NH2+]C2)o1 ZINC001246705143 1141040256 /nfs/dbraw/zinc/04/02/56/1141040256.db2.gz JLHQALDQLFBQKI-UNQWWWNPSA-N 1 3 303.450 2.377 20 0 DEADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@]3(CCN(c4ccsc4)C3=O)C2)CCN1 ZINC001246712575 1141041845 /nfs/dbraw/zinc/04/18/45/1141041845.db2.gz BLOMOEJAWPNHAI-KEYYUXOJSA-N 1 3 319.474 2.317 20 0 DEADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@]3(CCN(c4ccsc4)C3=O)C2)CCN1 ZINC001246712575 1141041856 /nfs/dbraw/zinc/04/18/56/1141041856.db2.gz BLOMOEJAWPNHAI-KEYYUXOJSA-N 1 3 319.474 2.317 20 0 DEADHO C[C@H]1C[C@H]([N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)CCN1 ZINC001246731211 1141045679 /nfs/dbraw/zinc/04/56/79/1141045679.db2.gz VCOFVUYAGFWFNI-DZOHQFGASA-N 1 3 313.445 2.397 20 0 DEADHO C[C@H]1C[C@H]([N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)CCN1 ZINC001246731211 1141045690 /nfs/dbraw/zinc/04/56/90/1141045690.db2.gz VCOFVUYAGFWFNI-DZOHQFGASA-N 1 3 313.445 2.397 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cc(C)nc(Cl)c2)CC1 ZINC001321143732 1141064414 /nfs/dbraw/zinc/06/44/14/1141064414.db2.gz RYCLOANKRZMVAC-AWEZNQCLSA-N 1 3 310.873 2.159 20 0 DEADHO Cc1cc(F)ccc1[C@H]1C[C@@H](N2CC[C@@H](F)[C@H](N)C2)CC[NH2+]1 ZINC001246839620 1141082404 /nfs/dbraw/zinc/08/24/04/1141082404.db2.gz YOPRFXFUFNCSFA-RKTXRCNFSA-N 1 3 309.404 2.298 20 0 DEADHO Cc1cc(F)ccc1[C@@H]1C[C@@H](N2CC[C@@H](F)[C@H](N)C2)CC[NH2+]1 ZINC001246839622 1141083682 /nfs/dbraw/zinc/08/36/82/1141083682.db2.gz YOPRFXFUFNCSFA-SVGFKBNWSA-N 1 3 309.404 2.298 20 0 DEADHO CC[C@@H]1CO[C@](C)(CCC(C)C)N1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246845722 1141086218 /nfs/dbraw/zinc/08/62/18/1141086218.db2.gz NGALVRQMKSJSHL-IXDOHACOSA-N 1 3 309.498 2.344 20 0 DEADHO COC(=O)[C@H]1CN([C@H]2CC[NH2+][C@@H](C)C2)C[C@@H]1c1ccccc1 ZINC001246993496 1141230879 /nfs/dbraw/zinc/23/08/79/1141230879.db2.gz HNKAFPQRCLEIRY-LLLHUVSDSA-N 1 3 302.418 2.016 20 0 DEADHO c1cc2cc(-c3noc([C@H]4CNCC45C[NH2+]C5)n3)ccc2s1 ZINC001247828299 1141541618 /nfs/dbraw/zinc/54/16/18/1141541618.db2.gz CJGSGSDICKXIHC-GFCCVEGCSA-N 1 3 312.398 2.228 20 0 DEADHO CCCCc1ccc(-c2noc([C@@H]3CNCC34C[NH2+]C4)n2)cc1 ZINC001247831600 1141544004 /nfs/dbraw/zinc/54/40/04/1141544004.db2.gz UOGNCZNXJDORGW-HNNXBMFYSA-N 1 3 312.417 2.356 20 0 DEADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1nc(C2CC2)cs1 ZINC001249528325 1141897877 /nfs/dbraw/zinc/89/78/77/1141897877.db2.gz ILSGQRYMQFVTJD-JKSUJKDBSA-N 1 3 320.506 2.231 20 0 DEADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1nc(C2CC2)cs1 ZINC001249528325 1141897879 /nfs/dbraw/zinc/89/78/79/1141897879.db2.gz ILSGQRYMQFVTJD-JKSUJKDBSA-N 1 3 320.506 2.231 20 0 DEADHO CC/C=C/CC[NH2+]C[C@@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001324225887 1142035655 /nfs/dbraw/zinc/03/56/55/1142035655.db2.gz NTHSRZVSTJUXAC-FDRQBBGKSA-N 1 3 307.482 2.265 20 0 DEADHO C[NH+]1CCC2(CN(C[C@H](O)COc3ccc(Cl)cc3)C2)CC1 ZINC001250670657 1142263209 /nfs/dbraw/zinc/26/32/09/1142263209.db2.gz GTOPBAVLZAGEDI-HNNXBMFYSA-N 1 3 324.852 2.107 20 0 DEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2cccc(F)c2)C1 ZINC001250829583 1142329090 /nfs/dbraw/zinc/32/90/90/1142329090.db2.gz QHACFZBAYYBMDW-OAGGEKHMSA-N 1 3 310.413 2.028 20 0 DEADHO Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCN(C(C)C)C[C@H]1C ZINC001251747843 1142502729 /nfs/dbraw/zinc/50/27/29/1142502729.db2.gz BFGNVHBRIWCWJH-KZNAEPCWSA-N 1 3 320.477 2.443 20 0 DEADHO CCCC[C@H](O)C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC001252115938 1142645301 /nfs/dbraw/zinc/64/53/01/1142645301.db2.gz UKFWVVVUAQCMBH-SFHVURJKSA-N 1 3 320.477 2.154 20 0 DEADHO CCN(CC)C[C@H](O)C[N@H+](C)CCc1c[nH]c2ccccc12 ZINC001253193235 1142852084 /nfs/dbraw/zinc/85/20/84/1142852084.db2.gz FHBLDZXISOQHQV-MRXNPFEDSA-N 1 3 303.450 2.345 20 0 DEADHO CCN(CC)C[C@H](O)C[N@@H+](C)CCc1c[nH]c2ccccc12 ZINC001253193235 1142852085 /nfs/dbraw/zinc/85/20/85/1142852085.db2.gz FHBLDZXISOQHQV-MRXNPFEDSA-N 1 3 303.450 2.345 20 0 DEADHO CC(C)[C@@H](O)C[NH+]1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC001253763226 1142914292 /nfs/dbraw/zinc/91/42/92/1142914292.db2.gz XAHJDSLFBZVVQS-SFHVURJKSA-N 1 3 317.477 2.386 20 0 DEADHO CC(C)[C@H](O)C[NH+]1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC001253763224 1142916201 /nfs/dbraw/zinc/91/62/01/1142916201.db2.gz XAHJDSLFBZVVQS-GOSISDBHSA-N 1 3 317.477 2.386 20 0 DEADHO Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCN(C(C)C)C[C@@H]2C)cc1 ZINC001253851063 1142990451 /nfs/dbraw/zinc/99/04/51/1142990451.db2.gz NUVFFOIAIZHRNR-SCTDSRPQSA-N 1 3 320.477 2.443 20 0 DEADHO C[C@@H]1C[C@@H](F)CN1CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254034557 1143028894 /nfs/dbraw/zinc/02/88/94/1143028894.db2.gz MLEQSWDLMFZECV-NVXWUHKLSA-N 1 3 306.425 2.446 20 0 DEADHO C[C@@H]1C[C@@H](F)C[N@@H+]1CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254034557 1143028909 /nfs/dbraw/zinc/02/89/09/1143028909.db2.gz MLEQSWDLMFZECV-NVXWUHKLSA-N 1 3 306.425 2.446 20 0 DEADHO C[C@@H]1C[C@@H](F)C[N@H+]1CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254034557 1143028922 /nfs/dbraw/zinc/02/89/22/1143028922.db2.gz MLEQSWDLMFZECV-NVXWUHKLSA-N 1 3 306.425 2.446 20 0 DEADHO C[C@@H]([NH2+][C@@H]1CCCN(C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC001254499538 1143141689 /nfs/dbraw/zinc/14/16/89/1143141689.db2.gz IPVOIUCHWBTXSS-UKRRQHHQSA-N 1 3 310.463 2.225 20 0 DEADHO COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCN(C)CC1)CCO2 ZINC001254513241 1143167795 /nfs/dbraw/zinc/16/77/95/1143167795.db2.gz BQWXOACUSRFXGW-GDBMZVCRSA-N 1 3 318.417 2.371 20 0 DEADHO CN1CCC[C@@H]([N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)CC1 ZINC001254521891 1143188864 /nfs/dbraw/zinc/18/88/64/1143188864.db2.gz ZWXQQBJPEKLVHT-XHSDSOJGSA-N 1 3 323.481 2.412 20 0 DEADHO CN1CCC[C@@H]([N@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)CC1 ZINC001254521891 1143188917 /nfs/dbraw/zinc/18/89/17/1143188917.db2.gz ZWXQQBJPEKLVHT-XHSDSOJGSA-N 1 3 323.481 2.412 20 0 DEADHO COC(=O)[C@H]1C[N@@H+]([C@@H]2CCCN(C)CC2)Cc2ccccc21 ZINC001254531880 1143228035 /nfs/dbraw/zinc/22/80/35/1143228035.db2.gz MKPSEGAWFCDCDB-WBVHZDCISA-N 1 3 302.418 2.243 20 0 DEADHO COC(=O)[C@H]1C[N@H+]([C@@H]2CCCN(C)CC2)Cc2ccccc21 ZINC001254531880 1143228058 /nfs/dbraw/zinc/22/80/58/1143228058.db2.gz MKPSEGAWFCDCDB-WBVHZDCISA-N 1 3 302.418 2.243 20 0 DEADHO N=c1ncc(CN)cn1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255130373 1143438845 /nfs/dbraw/zinc/43/88/45/1143438845.db2.gz CZFCWHOZUIJAGF-PIIMJCKOSA-N 1 3 323.444 2.189 20 0 DEADHO N=c1ncc(CN)cn1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255130373 1143438857 /nfs/dbraw/zinc/43/88/57/1143438857.db2.gz CZFCWHOZUIJAGF-PIIMJCKOSA-N 1 3 323.444 2.189 20 0 DEADHO CCCN1C[C@@H]2C[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC001255609152 1143781726 /nfs/dbraw/zinc/78/17/26/1143781726.db2.gz REUHZMBGBPEPOO-OAGGEKHMSA-N 1 3 323.481 2.269 20 0 DEADHO C[C@@H]1C[C@@H](N2CCC(=O)N(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256552130 1143853128 /nfs/dbraw/zinc/85/31/28/1143853128.db2.gz ZEAPTGMORBGNJK-AEFFLSMTSA-N 1 3 315.461 2.204 20 0 DEADHO C[C@@H]1C[C@@H](N2CCC(=O)N(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256552130 1143853129 /nfs/dbraw/zinc/85/31/29/1143853129.db2.gz ZEAPTGMORBGNJK-AEFFLSMTSA-N 1 3 315.461 2.204 20 0 DEADHO C[C@H]1C[C@@H](N2CCC(=O)N(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256552133 1143853472 /nfs/dbraw/zinc/85/34/72/1143853472.db2.gz ZEAPTGMORBGNJK-WMZOPIPTSA-N 1 3 315.461 2.204 20 0 DEADHO C[C@H]1C[C@@H](N2CCC(=O)N(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256552133 1143853473 /nfs/dbraw/zinc/85/34/73/1143853473.db2.gz ZEAPTGMORBGNJK-WMZOPIPTSA-N 1 3 315.461 2.204 20 0 DEADHO NC(=O)C1(NC2CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC001256598357 1143856464 /nfs/dbraw/zinc/85/64/64/1143856464.db2.gz VFELVIRZWQLESI-UHFFFAOYSA-N 1 3 301.434 2.039 20 0 DEADHO c1ncn(C2CCC(N3CCOCC3)CC2)c1C1CC[NH2+]CC1 ZINC001256695554 1143863343 /nfs/dbraw/zinc/86/33/43/1143863343.db2.gz DRYCZUYLVVRVTN-UHFFFAOYSA-N 1 3 318.465 2.166 20 0 DEADHO CN1CCN(C2CCN(c3cc[nH+]cc3)CC2)Cc2cccnc21 ZINC001256859023 1143871251 /nfs/dbraw/zinc/87/12/51/1143871251.db2.gz RKYRZBKWSFRWLS-UHFFFAOYSA-N 1 3 323.444 2.397 20 0 DEADHO CCOC(=O)c1ccc(C[C@H](C)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC001257165538 1143891543 /nfs/dbraw/zinc/89/15/43/1143891543.db2.gz OXPCOYRQGMXXEK-JCGIZDLHSA-N 1 3 316.445 2.288 20 0 DEADHO CCOC(=O)c1ccc(C[C@H](C)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1 ZINC001257165538 1143891545 /nfs/dbraw/zinc/89/15/45/1143891545.db2.gz OXPCOYRQGMXXEK-JCGIZDLHSA-N 1 3 316.445 2.288 20 0 DEADHO CC(C)[NH+]1CCC(N2CC[C@]3(C2)c2ccccc2NC3=O)CC1 ZINC001257218006 1143894059 /nfs/dbraw/zinc/89/40/59/1143894059.db2.gz XIRUQEYAYLRQIN-IBGZPJMESA-N 1 3 313.445 2.455 20 0 DEADHO C[C@H](CN)C[NH2+]C1C[C@H]2C[C@@H](C1)CN(C(=O)OC(C)(C)C)C2 ZINC001257843280 1143955354 /nfs/dbraw/zinc/95/53/54/1143955354.db2.gz TZFDDWSXDLKQKR-JKXDFHQYSA-N 1 3 311.470 2.206 20 0 DEADHO CC(C)CN1CCC([NH2+]CCNC(=O)C2CCCCC2)CC1 ZINC001258007039 1143964198 /nfs/dbraw/zinc/96/41/98/1143964198.db2.gz QISGMPLCNJIORO-UHFFFAOYSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)CN1CCC([NH+]2CCC(c3nncn3C)CC2)CC1 ZINC001258017269 1143965941 /nfs/dbraw/zinc/96/59/41/1143965941.db2.gz YOMLFHFTYWZCLQ-UHFFFAOYSA-N 1 3 305.470 2.115 20 0 DEADHO COC(=O)CC[C@H](C)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001258357582 1143995056 /nfs/dbraw/zinc/99/50/56/1143995056.db2.gz KNURLAOYHLTVEK-HNNXBMFYSA-N 1 3 319.449 2.225 20 0 DEADHO CCC[NH+]1CCC(N2CC[C@]3(C2)CCCCN3C(C)=O)CC1 ZINC001258773952 1144040625 /nfs/dbraw/zinc/04/06/25/1144040625.db2.gz FKPYDGJRNBPXFJ-SFHVURJKSA-N 1 3 307.482 2.338 20 0 DEADHO CNC(=O)C[N@@H+]1CCCC12CCN([C@@H]1CCC[C@@H](C)C1)CC2 ZINC001258820617 1144043645 /nfs/dbraw/zinc/04/36/45/1144043645.db2.gz MNALSDVRWNGDOF-HZPDHXFCSA-N 1 3 307.482 2.242 20 0 DEADHO CNC(=O)C[N@H+]1CCCC12CCN([C@@H]1CCC[C@@H](C)C1)CC2 ZINC001258820617 1144043648 /nfs/dbraw/zinc/04/36/48/1144043648.db2.gz MNALSDVRWNGDOF-HZPDHXFCSA-N 1 3 307.482 2.242 20 0 DEADHO CC[NH+](CC)CCC[C@H](C)N[C@@H]1c2ccccc2CNC1=O ZINC001258901884 1144052837 /nfs/dbraw/zinc/05/28/37/1144052837.db2.gz OYIYTJVHRIKFDI-WMLDXEAASA-N 1 3 303.450 2.458 20 0 DEADHO CC[NH+](CC)CCC[C@@H](C)N1CCN(c2ncccn2)CC1 ZINC001258906867 1144053310 /nfs/dbraw/zinc/05/33/10/1144053310.db2.gz BQWBUPUVYQNIQU-MRXNPFEDSA-N 1 3 305.470 2.109 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCCC(C)C)C1 ZINC001263849494 1144410618 /nfs/dbraw/zinc/41/06/18/1144410618.db2.gz LEUKTDMWOVPSFD-GASCZTMLSA-N 1 3 306.454 2.181 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]C/C=C\Cl ZINC001264564547 1144568089 /nfs/dbraw/zinc/56/80/89/1144568089.db2.gz WJZJDLNJOWRVEU-IORUMNFESA-N 1 3 315.889 2.297 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[N@H+](C)CC2CCCCC2)C1 ZINC001265037300 1144629715 /nfs/dbraw/zinc/62/97/15/1144629715.db2.gz VAHHEZGRCAKPGD-MRXNPFEDSA-N 1 3 309.498 2.347 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[N@@H+](C)CC2CCCCC2)C1 ZINC001265037300 1144629717 /nfs/dbraw/zinc/62/97/17/1144629717.db2.gz VAHHEZGRCAKPGD-MRXNPFEDSA-N 1 3 309.498 2.347 20 0 DEADHO CC/C=C/CCN1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001265292680 1144685239 /nfs/dbraw/zinc/68/52/39/1144685239.db2.gz QQJDEHSJSXOUHZ-CWDCEQMOSA-N 1 3 305.466 2.162 20 0 DEADHO CC[C@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1C/C=C/Cl)N(C)C ZINC001266223663 1144816353 /nfs/dbraw/zinc/81/63/53/1144816353.db2.gz VBNVXMQPRMUCGO-FSQQNCNXSA-N 1 3 315.889 2.440 20 0 DEADHO CC[C@H](C(=O)NCCC[C@@H]1CCC[N@H+]1C/C=C/Cl)N(C)C ZINC001266223663 1144816354 /nfs/dbraw/zinc/81/63/54/1144816354.db2.gz VBNVXMQPRMUCGO-FSQQNCNXSA-N 1 3 315.889 2.440 20 0 DEADHO CC(C)C[C@H](C)C[NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001280207983 1144833804 /nfs/dbraw/zinc/83/38/04/1144833804.db2.gz QGWIEBJEJCCJCJ-JKSUJKDBSA-N 1 3 320.481 2.463 20 0 DEADHO C[C@H](NC(=O)CN1CC[C@H](C)C1)C1C[NH+](CC2=CCCCC2)C1 ZINC001282745173 1145160396 /nfs/dbraw/zinc/16/03/96/1145160396.db2.gz VDQGSKLVMJIGJL-HOTGVXAUSA-N 1 3 319.493 2.265 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC001364475249 1145279576 /nfs/dbraw/zinc/27/95/76/1145279576.db2.gz FOKGCDVBMIXVLB-IAGOWNOFSA-N 1 3 324.513 2.280 20 0 DEADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2ccc3c[nH]nc3c2)CC1 ZINC001364615040 1145380801 /nfs/dbraw/zinc/38/08/01/1145380801.db2.gz CKDRKGQUHMQWDI-QZTJIDSGSA-N 1 3 314.433 2.030 20 0 DEADHO CC(C)[C@H](NC1CCN(c2cc[nH+]cc2)CC1)c1nncn1C ZINC001364669051 1145437505 /nfs/dbraw/zinc/43/75/05/1145437505.db2.gz DRYBAIVJFCGMCY-INIZCTEOSA-N 1 3 314.437 2.166 20 0 DEADHO CC(C)N1CCN(C2CC[NH+](C[C@]3(C)CCCCO3)CC2)CC1 ZINC001364925352 1145680572 /nfs/dbraw/zinc/68/05/72/1145680572.db2.gz XVWIWZRTSRBZIF-IBGZPJMESA-N 1 3 323.525 2.436 20 0 DEADHO Cc1cc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)ccc1-n1cncn1 ZINC001364929009 1145684989 /nfs/dbraw/zinc/68/49/89/1145684989.db2.gz DDVBBVHRKLPYAF-GVDBMIGSSA-N 1 3 311.433 2.006 20 0 DEADHO COc1cc(C)c(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)cc1OC ZINC001364931454 1145688145 /nfs/dbraw/zinc/68/81/45/1145688145.db2.gz JUIHKPPTBFIHHU-NUEKZKHPSA-N 1 3 304.434 2.442 20 0 DEADHO O=C(N1CCN(CC2CCCC2)CC1)C12CCC[NH+](CCC1)C2 ZINC001364954416 1145709184 /nfs/dbraw/zinc/70/91/84/1145709184.db2.gz POWSKRRRZVAZNA-UHFFFAOYSA-N 1 3 319.493 2.197 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001365323046 1145847245 /nfs/dbraw/zinc/84/72/45/1145847245.db2.gz YWCZZMZQBIQCGI-HZPDHXFCSA-N 1 3 324.513 2.375 20 0 DEADHO CC(C)(O)C(C)(C)C[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001365600191 1145900754 /nfs/dbraw/zinc/90/07/54/1145900754.db2.gz SCOQHMAAPGRIIA-UHFFFAOYSA-N 1 3 312.498 2.407 20 0 DEADHO C[C@H](NCCF)[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001365925530 1146912747 /nfs/dbraw/zinc/91/27/47/1146912747.db2.gz IUZHQCODGHJNTN-JKSUJKDBSA-N 1 3 313.461 2.191 20 0 DEADHO C[C@@H](NCCF)[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001365925513 1146913658 /nfs/dbraw/zinc/91/36/58/1146913658.db2.gz IUZHQCODGHJNTN-CVEARBPZSA-N 1 3 313.461 2.191 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1C)C1CC1)N(C)C ZINC001366054793 1147030161 /nfs/dbraw/zinc/03/01/61/1147030161.db2.gz LQCUEWHUYQLIOE-MSOLQXFVSA-N 1 3 317.477 2.320 20 0 DEADHO CC[C@H](C(=O)NC[C@H]([NH2+]Cc1ccccc1F)C1CC1)N(C)C ZINC001366070518 1147039432 /nfs/dbraw/zinc/03/94/32/1147039432.db2.gz YAPNJKACXAGVCS-DLBZAZTESA-N 1 3 321.440 2.150 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H](C)F)C1 ZINC001366163124 1147085572 /nfs/dbraw/zinc/08/55/72/1147085572.db2.gz SQMNEUIQSUAVBU-LVQVYYBASA-N 1 3 313.461 2.234 20 0 DEADHO CCCC[N@@H+]1CCC[C@@H]1CCCNC(=O)CN1CC[C@H](C)C1 ZINC001492164901 1147107160 /nfs/dbraw/zinc/10/71/60/1147107160.db2.gz IZMZJOYPXYLSKL-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO CCCC[N@H+]1CCC[C@@H]1CCCNC(=O)CN1CC[C@H](C)C1 ZINC001492164901 1147107164 /nfs/dbraw/zinc/10/71/64/1147107164.db2.gz IZMZJOYPXYLSKL-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO CCC(CC)C[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001366230894 1147138786 /nfs/dbraw/zinc/13/87/86/1147138786.db2.gz WLJSAZPVIAITTH-INIZCTEOSA-N 1 3 306.454 2.359 20 0 DEADHO Cc1ccc(F)c(CN[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001366345890 1147225785 /nfs/dbraw/zinc/22/57/85/1147225785.db2.gz KNRKINIZXMNDHB-RHSMWYFYSA-N 1 3 323.456 2.315 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H](C)NCc1ccccc1F)[NH+](C)C ZINC001366350119 1147228236 /nfs/dbraw/zinc/22/82/36/1147228236.db2.gz YTQDAILHPSDZMO-BBRMVZONSA-N 1 3 309.429 2.006 20 0 DEADHO Cc1cc(CN(C)[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)cs1 ZINC001480734205 1147251656 /nfs/dbraw/zinc/25/16/56/1147251656.db2.gz APYSRKDOFWWWEC-MRXNPFEDSA-N 1 3 323.506 2.431 20 0 DEADHO C[N@H+](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)CCC1CC1 ZINC001366564091 1147356407 /nfs/dbraw/zinc/35/64/07/1147356407.db2.gz ANNLYVFRXXZEQT-QGZVFWFLSA-N 1 3 313.461 2.047 20 0 DEADHO C[N@@H+](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)CCC1CC1 ZINC001366564091 1147356412 /nfs/dbraw/zinc/35/64/12/1147356412.db2.gz ANNLYVFRXXZEQT-QGZVFWFLSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[N@H+](C)C[C@H]1CCC(F)(F)C1)N(C)C ZINC001366583818 1147373709 /nfs/dbraw/zinc/37/37/09/1147373709.db2.gz JOVTZFXMCHMVLI-KBPBESRZSA-N 1 3 319.440 2.056 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[N@@H+](C)C[C@H]1CCC(F)(F)C1)N(C)C ZINC001366583818 1147373712 /nfs/dbraw/zinc/37/37/12/1147373712.db2.gz JOVTZFXMCHMVLI-KBPBESRZSA-N 1 3 319.440 2.056 20 0 DEADHO CC[NH+](CC)CCO[C@@H]1CCN(CCCOC(F)(F)F)C1 ZINC001307521485 1147428365 /nfs/dbraw/zinc/42/83/65/1147428365.db2.gz PBSIPBFPYBYLEB-CYBMUJFWSA-N 1 3 312.376 2.346 20 0 DEADHO CC(C)N(C)CCC[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC001308195567 1147453443 /nfs/dbraw/zinc/45/34/43/1147453443.db2.gz LKIOHVFVSXHKJY-UHFFFAOYSA-N 1 3 307.438 2.204 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001366716184 1147509983 /nfs/dbraw/zinc/50/99/83/1147509983.db2.gz SWBQLJHUFWIQRN-INIZCTEOSA-N 1 3 318.465 2.279 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001366716184 1147509988 /nfs/dbraw/zinc/50/99/88/1147509988.db2.gz SWBQLJHUFWIQRN-INIZCTEOSA-N 1 3 318.465 2.279 20 0 DEADHO CC[C@H](C)C[NH2+][C@@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001366782314 1147557083 /nfs/dbraw/zinc/55/70/83/1147557083.db2.gz LKOURPXUYKPPHP-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO CC[N@@H+]1CC[C@H](CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001366846316 1147592200 /nfs/dbraw/zinc/59/22/00/1147592200.db2.gz OQQMOFWKRZAQEH-WMLDXEAASA-N 1 3 313.461 2.047 20 0 DEADHO CC[N@H+]1CC[C@H](CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001366846316 1147592203 /nfs/dbraw/zinc/59/22/03/1147592203.db2.gz OQQMOFWKRZAQEH-WMLDXEAASA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)NCc1ccccc1F ZINC001367135784 1147655114 /nfs/dbraw/zinc/65/51/14/1147655114.db2.gz UBBYJKRULRCALB-WBVHZDCISA-N 1 3 323.456 2.396 20 0 DEADHO CC[C@H](C(=O)NC1(C[NH2+]Cc2ccns2)CCCC1)N(C)C ZINC001367161969 1147658528 /nfs/dbraw/zinc/65/85/28/1147658528.db2.gz AFYFOVDJOAHJLA-CQSZACIVSA-N 1 3 324.494 2.002 20 0 DEADHO CC(C)CC[NH2+]C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001317153148 1147667347 /nfs/dbraw/zinc/66/73/47/1147667347.db2.gz WSBMUQBTLSZACI-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1ccc(F)cc1 ZINC001367246617 1147669094 /nfs/dbraw/zinc/66/90/94/1147669094.db2.gz SVNRRUAHZWEPOO-AWEZNQCLSA-N 1 3 321.440 2.152 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1)N(C)C ZINC001367253932 1147669820 /nfs/dbraw/zinc/66/98/20/1147669820.db2.gz RLENAEOIHARQPF-WBVHZDCISA-N 1 3 305.466 2.115 20 0 DEADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(F)c1 ZINC001367394452 1147688575 /nfs/dbraw/zinc/68/85/75/1147688575.db2.gz BTYHXLLMCYVKMC-CQSZACIVSA-N 1 3 309.429 2.104 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001317346773 1147693973 /nfs/dbraw/zinc/69/39/73/1147693973.db2.gz YQCSTBLXXSRENO-QGZVFWFLSA-N 1 3 307.482 2.265 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001367767904 1147740255 /nfs/dbraw/zinc/74/02/55/1147740255.db2.gz PNJZAEGXMFAZHP-CMPLNLGQSA-N 1 3 317.886 2.336 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1C1CC1)NC(=O)CC[NH+](C)C ZINC001367831257 1147755638 /nfs/dbraw/zinc/75/56/38/1147755638.db2.gz HSGKYQWYEISITO-OAHLLOKOSA-N 1 3 317.477 2.452 20 0 DEADHO Cc1ccc(CCCN2CC[C@@H]2CNC(=O)CC[NH+](C)C)cc1 ZINC001367966267 1147807173 /nfs/dbraw/zinc/80/71/73/1147807173.db2.gz QTXBLCIQOMPLRB-GOSISDBHSA-N 1 3 317.477 2.070 20 0 DEADHO CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001368190886 1148316575 /nfs/dbraw/zinc/31/65/75/1148316575.db2.gz AUFGVWTZOSPEBE-SJORKVTESA-N 1 3 313.461 2.047 20 0 DEADHO C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000431818579 282120595 /nfs/dbraw/zinc/12/05/95/282120595.db2.gz RPFWSWVNOHORDB-RDJZCZTQSA-N 1 3 307.482 2.194 20 0 DEADHO O=C(NCCC[NH+]1CCCCC1)N1CCN(C2CCCC2)CC1 ZINC000078946366 185133271 /nfs/dbraw/zinc/13/32/71/185133271.db2.gz UZUAVESUOSIQHJ-UHFFFAOYSA-N 1 3 322.497 2.132 20 0 DEADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000237907076 295678243 /nfs/dbraw/zinc/67/82/43/295678243.db2.gz MGZKHCHXKUGLSW-DLBZAZTESA-N 1 3 301.434 2.082 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000418184391 529448964 /nfs/dbraw/zinc/44/89/64/529448964.db2.gz PWLCMRYOSYTKOK-DZKIICNBSA-N 1 3 306.454 2.023 20 0 DEADHO CN(C)[C@@H](CNC(=O)NCCC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000416802505 282175603 /nfs/dbraw/zinc/17/56/03/282175603.db2.gz IADOGTGQGLFYJT-IRXDYDNUSA-N 1 3 318.465 2.121 20 0 DEADHO CC[C@@H]([NH3+])CNC(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000418033744 529564321 /nfs/dbraw/zinc/56/43/21/529564321.db2.gz NRWARGLCYNIVLG-IAGOWNOFSA-N 1 3 320.481 2.180 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000417843895 529616074 /nfs/dbraw/zinc/61/60/74/529616074.db2.gz VXXUGGUYGSZVBY-NUJGCVRESA-N 1 3 303.450 2.273 20 0 DEADHO CC[C@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1ccc(C)cc1 ZINC000415081380 529620248 /nfs/dbraw/zinc/62/02/48/529620248.db2.gz MUHCHQPRKBXAHF-WBVHZDCISA-N 1 3 303.450 2.233 20 0 DEADHO CCCN1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000613258953 362060863 /nfs/dbraw/zinc/06/08/63/362060863.db2.gz WHJGVGAPLZDVMP-UHFFFAOYSA-N 1 3 305.466 2.155 20 0 DEADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448011762 529688415 /nfs/dbraw/zinc/68/84/15/529688415.db2.gz QOBVIQNSCJFSJR-LSDHHAIUSA-N 1 3 312.502 2.136 20 0 DEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448011762 529688416 /nfs/dbraw/zinc/68/84/16/529688416.db2.gz QOBVIQNSCJFSJR-LSDHHAIUSA-N 1 3 312.502 2.136 20 0 DEADHO Cc1ccccc1C[C@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000625289629 365716448 /nfs/dbraw/zinc/71/64/48/365716448.db2.gz SGGFOSNGDVTNOC-KRWDZBQOSA-N 1 3 319.493 2.125 20 0 DEADHO C[C@H](NC(=O)N1CCCN(C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000288190680 299090843 /nfs/dbraw/zinc/09/08/43/299090843.db2.gz QCXAGCMEEIPDCO-RDJZCZTQSA-N 1 3 318.465 2.025 20 0 DEADHO CCc1nc(NC(=O)C[NH2+]C(C)C2CCOCC2)sc1C ZINC000179870528 282233701 /nfs/dbraw/zinc/23/37/01/282233701.db2.gz LHCVYLSNFKPMGI-SNVBAGLBSA-N 1 3 311.451 2.357 20 0 DEADHO CN1CC[C@]2(CC[N@H+](CCc3ccc4c(c3)OCCO4)C2)C1 ZINC000429023479 529811528 /nfs/dbraw/zinc/81/15/28/529811528.db2.gz UTSVMIOCUCQGJV-SFHVURJKSA-N 1 3 302.418 2.028 20 0 DEADHO CN1CC[C@]2(CC[N@@H+](CCc3ccc4c(c3)OCCO4)C2)C1 ZINC000429023479 529811529 /nfs/dbraw/zinc/81/15/29/529811529.db2.gz UTSVMIOCUCQGJV-SFHVURJKSA-N 1 3 302.418 2.028 20 0 DEADHO CN(CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)CC(F)(F)F ZINC000422857798 529891822 /nfs/dbraw/zinc/89/18/22/529891822.db2.gz HXABVAXGFPAUIZ-MJBXVCDLSA-N 1 3 307.404 2.381 20 0 DEADHO CC(C)[C@@H](CNC(=O)NC[C@H]1CCCN1C)[NH+]1CCCCCC1 ZINC000195125236 282369364 /nfs/dbraw/zinc/36/93/64/282369364.db2.gz FOSBUVPCQXQHNS-IAGOWNOFSA-N 1 3 324.513 2.280 20 0 DEADHO CN1CCC[C@@H]1CNC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000195128066 282369160 /nfs/dbraw/zinc/36/91/60/282369160.db2.gz POCBOKZQMPRVFN-MRXNPFEDSA-N 1 3 310.486 2.034 20 0 DEADHO CN1CCC[C@@H]1CNC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000195128066 282369164 /nfs/dbraw/zinc/36/91/64/282369164.db2.gz POCBOKZQMPRVFN-MRXNPFEDSA-N 1 3 310.486 2.034 20 0 DEADHO CN(C)CCOc1ccc(CN2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000092938304 539429948 /nfs/dbraw/zinc/42/99/48/539429948.db2.gz AUVPQFDKKWOSFT-KRWDZBQOSA-N 1 3 305.466 2.153 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+](C)CC2(O)CCCC2)cc1 ZINC000093502993 539431845 /nfs/dbraw/zinc/43/18/45/539431845.db2.gz JPGJVFYXRPOIPY-UHFFFAOYSA-N 1 3 306.450 2.364 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+](C)CC2(O)CCCC2)cc1 ZINC000093502993 539431850 /nfs/dbraw/zinc/43/18/50/539431850.db2.gz JPGJVFYXRPOIPY-UHFFFAOYSA-N 1 3 306.450 2.364 20 0 DEADHO Cc1cccc([O-])c1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000625540499 365820746 /nfs/dbraw/zinc/82/07/46/365820746.db2.gz KIVFWTKDYYMWEE-UHFFFAOYSA-N 1 3 321.465 2.046 20 0 DEADHO CN1CCN(CCCC[NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000154394935 539550442 /nfs/dbraw/zinc/55/04/42/539550442.db2.gz GPNFBTAMFJBKJE-GOSISDBHSA-N 1 3 305.441 2.430 20 0 DEADHO c1ccc(CN2CCC(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000161583521 539592810 /nfs/dbraw/zinc/59/28/10/539592810.db2.gz AQIOKZBZCHRVPQ-IEBWSBKVSA-N 1 3 314.477 2.262 20 0 DEADHO c1ccc(CN2CCC(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000161583521 539592813 /nfs/dbraw/zinc/59/28/13/539592813.db2.gz AQIOKZBZCHRVPQ-IEBWSBKVSA-N 1 3 314.477 2.262 20 0 DEADHO CN(C)CCOc1ccccc1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166394526 539608673 /nfs/dbraw/zinc/60/86/73/539608673.db2.gz FYGNDRQQSYNGHG-QZTJIDSGSA-N 1 3 317.477 2.343 20 0 DEADHO CN(C)CCOc1ccccc1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166394526 539608679 /nfs/dbraw/zinc/60/86/79/539608679.db2.gz FYGNDRQQSYNGHG-QZTJIDSGSA-N 1 3 317.477 2.343 20 0 DEADHO O=C(Nc1ccc2c(c1F)CCNC2)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000294986545 304005120 /nfs/dbraw/zinc/00/51/20/304005120.db2.gz KFWASXZJYWHRIC-SCLBCKFNSA-N 1 3 317.408 2.190 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000275839804 539805555 /nfs/dbraw/zinc/80/55/55/539805555.db2.gz ZNGHOVHSICOPNQ-QZTJIDSGSA-N 1 3 315.461 2.285 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)N1CCCCCC1 ZINC000616995287 362984834 /nfs/dbraw/zinc/98/48/34/362984834.db2.gz ONJXEBBADAFKIU-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)N1CCCCCC1 ZINC000616995287 362984836 /nfs/dbraw/zinc/98/48/36/362984836.db2.gz ONJXEBBADAFKIU-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CCC1(N2CCOCC2)CC[NH+](CC[C@@H]2CCCN2C)CC1 ZINC000626088872 366043433 /nfs/dbraw/zinc/04/34/33/366043433.db2.gz QVAMMELKTPWQND-KRWDZBQOSA-N 1 3 309.498 2.048 20 0 DEADHO CCC1(N2CCOCC2)CCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000626089032 366045274 /nfs/dbraw/zinc/04/52/74/366045274.db2.gz XXGYBPVVABQUCK-UHFFFAOYSA-N 1 3 323.525 2.295 20 0 DEADHO CC[NH+](CC)CCNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000287226884 219393077 /nfs/dbraw/zinc/39/30/77/219393077.db2.gz IAPKNGMCGNZHCM-INIZCTEOSA-N 1 3 324.444 2.069 20 0 DEADHO CCCN1CCC([NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000305773191 539874917 /nfs/dbraw/zinc/87/49/17/539874917.db2.gz LLHPURRIGFISAH-RTBURBONSA-N 1 3 323.525 2.218 20 0 DEADHO CN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309746140 539878674 /nfs/dbraw/zinc/87/86/74/539878674.db2.gz XTHZQSDQARVAON-KZNAEPCWSA-N 1 3 315.461 2.094 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@H](CN)c2ccccc2)CC1 ZINC000320261352 539895390 /nfs/dbraw/zinc/89/53/90/539895390.db2.gz JTFPREPYQUJKMC-GOSISDBHSA-N 1 3 317.477 2.308 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H](CN)c2ccccc2)CC1 ZINC000320261352 539895393 /nfs/dbraw/zinc/89/53/93/539895393.db2.gz JTFPREPYQUJKMC-GOSISDBHSA-N 1 3 317.477 2.308 20 0 DEADHO C[C@@H](O)CCN(C)Cc1ccc(C[N@H+](C)CC[C@H](C)O)cc1 ZINC000072714826 191220804 /nfs/dbraw/zinc/22/08/04/191220804.db2.gz PFKJJKFWEOKCRN-IYBDPMFKSA-N 1 3 308.466 2.092 20 0 DEADHO C[C@@H](O)CCN(C)Cc1ccc(C[N@@H+](C)CC[C@H](C)O)cc1 ZINC000072714826 191220805 /nfs/dbraw/zinc/22/08/05/191220805.db2.gz PFKJJKFWEOKCRN-IYBDPMFKSA-N 1 3 308.466 2.092 20 0 DEADHO C[C@@H](O)CC[N@@H+](C)Cc1ccc(CN(C)CC[C@H](C)O)cc1 ZINC000072714826 191220807 /nfs/dbraw/zinc/22/08/07/191220807.db2.gz PFKJJKFWEOKCRN-IYBDPMFKSA-N 1 3 308.466 2.092 20 0 DEADHO C[C@@H](O)CC[N@H+](C)Cc1ccc(CN(C)CC[C@H](C)O)cc1 ZINC000072714826 191220811 /nfs/dbraw/zinc/22/08/11/191220811.db2.gz PFKJJKFWEOKCRN-IYBDPMFKSA-N 1 3 308.466 2.092 20 0 DEADHO CC(C)(CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C1(O)CCCC1 ZINC000333286805 539954586 /nfs/dbraw/zinc/95/45/86/539954586.db2.gz NMNSYKONSLORII-OWCLPIDISA-N 1 3 310.482 2.064 20 0 DEADHO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000174411394 198331523 /nfs/dbraw/zinc/33/15/23/198331523.db2.gz FCEPJQFGVUXFGV-WMLDXEAASA-N 1 3 303.450 2.256 20 0 DEADHO C[C@@H](CNC(=O)NC1CCN(C2CC2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000048394890 354351199 /nfs/dbraw/zinc/35/11/99/354351199.db2.gz QHLJTZDRDUCXGW-GJZGRUSLSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](CNC(=O)NC1CCN(C2CC2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000048394890 354351200 /nfs/dbraw/zinc/35/12/00/354351200.db2.gz QHLJTZDRDUCXGW-GJZGRUSLSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](C[NH+](C)C)NC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000358529734 295881963 /nfs/dbraw/zinc/88/19/63/295881963.db2.gz QTNYVHTXRVZNIW-HNNXBMFYSA-N 1 3 312.502 2.090 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000358107203 535264724 /nfs/dbraw/zinc/26/47/24/535264724.db2.gz SJLVDOCETBFCRC-JKSUJKDBSA-N 1 3 322.497 2.010 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000358107203 535264727 /nfs/dbraw/zinc/26/47/27/535264727.db2.gz SJLVDOCETBFCRC-JKSUJKDBSA-N 1 3 322.497 2.010 20 0 DEADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000066196072 354704244 /nfs/dbraw/zinc/70/42/44/354704244.db2.gz BGHFBYADXCWJTQ-HNNXBMFYSA-N 1 3 312.502 2.233 20 0 DEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000066196072 354704251 /nfs/dbraw/zinc/70/42/51/354704251.db2.gz BGHFBYADXCWJTQ-HNNXBMFYSA-N 1 3 312.502 2.233 20 0 DEADHO C[C@@H](C(=O)N1CCC[C@H]1C[NH+]1CCCC1)N1CCCCCC1 ZINC000074249866 355016705 /nfs/dbraw/zinc/01/67/05/355016705.db2.gz KOXNFTUFOOVAGW-IRXDYDNUSA-N 1 3 307.482 2.338 20 0 DEADHO C[C@@H](N[C@@H]1CCc2ccccc2NC1=O)C1CC[NH+](C)CC1 ZINC000396460170 540139315 /nfs/dbraw/zinc/13/93/15/540139315.db2.gz DSAATMSOZHSIFZ-CXAGYDPISA-N 1 3 301.434 2.260 20 0 DEADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)N(C)C)cc1 ZINC000417300259 540166070 /nfs/dbraw/zinc/16/60/70/540166070.db2.gz AGDMQOUKVVXBTR-BBWFWOEESA-N 1 3 318.465 2.167 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000108569658 355737256 /nfs/dbraw/zinc/73/72/56/355737256.db2.gz YMMWFRAGFIKLCX-KRWDZBQOSA-N 1 3 322.497 2.034 20 0 DEADHO Cc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1F ZINC000119713263 355787866 /nfs/dbraw/zinc/78/78/66/355787866.db2.gz LMHNGJLRHUSYEJ-UHFFFAOYSA-N 1 3 310.417 2.091 20 0 DEADHO CC(C)[NH2+]CCC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000132820557 355853104 /nfs/dbraw/zinc/85/31/04/355853104.db2.gz PEVHDBDPMBMGSA-KRWDZBQOSA-N 1 3 303.450 2.155 20 0 DEADHO CCN(C)CCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000194831537 356245110 /nfs/dbraw/zinc/24/51/10/356245110.db2.gz ZJONNPCVDDWAEA-UHFFFAOYSA-N 1 3 318.465 2.033 20 0 DEADHO CC1CCN(CCNC(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000236704474 356291606 /nfs/dbraw/zinc/29/16/06/356291606.db2.gz BDPFKBRXBNNHLD-QGZVFWFLSA-N 1 3 303.450 2.315 20 0 DEADHO O[C@@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)COc1ccccc1Cl ZINC000314551624 356417545 /nfs/dbraw/zinc/41/75/45/356417545.db2.gz KOPFYTLPBBABAJ-HIFRSBDPSA-N 1 3 324.852 2.154 20 0 DEADHO O[C@@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)COc1ccccc1Cl ZINC000314551624 356417547 /nfs/dbraw/zinc/41/75/47/356417547.db2.gz KOPFYTLPBBABAJ-HIFRSBDPSA-N 1 3 324.852 2.154 20 0 DEADHO O[C@@H](CNC[C@H]1CC[N@H+](C2CC2)C1)COc1ccccc1Cl ZINC000314551624 356417550 /nfs/dbraw/zinc/41/75/50/356417550.db2.gz KOPFYTLPBBABAJ-HIFRSBDPSA-N 1 3 324.852 2.154 20 0 DEADHO C[C@@H]1CCN[C@@H](C)[C@@H]1[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000420354745 283192668 /nfs/dbraw/zinc/19/26/68/283192668.db2.gz BLQHNAYJODGZNC-BFQNTYOBSA-N 1 3 319.840 2.397 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)C2([NH3+])CCCC2)N(C)C)cc1 ZINC000236958544 202093757 /nfs/dbraw/zinc/09/37/57/202093757.db2.gz FNJWGMMSZXQCQP-MRXNPFEDSA-N 1 3 303.450 2.239 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000423770310 283199689 /nfs/dbraw/zinc/19/96/89/283199689.db2.gz GPTKMFDXERKWDV-CQSZACIVSA-N 1 3 309.479 2.028 20 0 DEADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)N(CCN(C)C)Cc1cccs1 ZINC000423768155 283198322 /nfs/dbraw/zinc/19/83/22/283198322.db2.gz CSFAYHOHWXOVIX-HUUCEWRRSA-N 1 3 309.479 2.026 20 0 DEADHO CN(C)C[C@@H](NC(=O)CCC1CC[NH2+]CC1)c1ccccc1 ZINC000237016850 202124110 /nfs/dbraw/zinc/12/41/10/202124110.db2.gz ZHKUFVPJPRCAJN-QGZVFWFLSA-N 1 3 303.450 2.185 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CCCC[NH3+] ZINC000382731071 356678211 /nfs/dbraw/zinc/67/82/11/356678211.db2.gz AZXITRILTBBLCG-MRXNPFEDSA-N 1 3 303.450 2.238 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000358089971 283213546 /nfs/dbraw/zinc/21/35/46/283213546.db2.gz GOCBPQGVKSXLQO-MRXNPFEDSA-N 1 3 324.513 2.448 20 0 DEADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000387403932 356704149 /nfs/dbraw/zinc/70/41/49/356704149.db2.gz BEFSVLLKEDWZAS-CVEARBPZSA-N 1 3 305.466 2.430 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000368029780 283212507 /nfs/dbraw/zinc/21/25/07/283212507.db2.gz PQTSZBXPKAGLDM-SFHVURJKSA-N 1 3 324.513 2.236 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)CCC2CC[NH2+]CC2)N(C)C)cc1 ZINC000237189843 202183091 /nfs/dbraw/zinc/18/30/91/202183091.db2.gz NZJPLAGJUVUDDA-GOSISDBHSA-N 1 3 317.477 2.494 20 0 DEADHO CSC1(CNCc2ccc3c(n2)CCC3)CC[NH+](C)CC1 ZINC000578971922 356899842 /nfs/dbraw/zinc/89/98/42/356899842.db2.gz DQRWKVKBIILNDS-UHFFFAOYSA-N 1 3 305.491 2.487 20 0 DEADHO C[C@H](Cn1ccnc1)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000579580565 356997513 /nfs/dbraw/zinc/99/75/13/356997513.db2.gz AOMUSDHDXYXJBH-QGPMSJSTSA-N 1 3 312.417 2.117 20 0 DEADHO Cc1ccc(C2(CNC[C@H](O)C[N@@H+](C)C3CC3)CC2)c(C)c1 ZINC000581007177 357116516 /nfs/dbraw/zinc/11/65/16/357116516.db2.gz JMTVBCTUVQOLNB-KRWDZBQOSA-N 1 3 302.462 2.380 20 0 DEADHO Cc1ccc(C2(CNC[C@H](O)C[N@H+](C)C3CC3)CC2)c(C)c1 ZINC000581007177 357116520 /nfs/dbraw/zinc/11/65/20/357116520.db2.gz JMTVBCTUVQOLNB-KRWDZBQOSA-N 1 3 302.462 2.380 20 0 DEADHO Cn1nccc1N1CCC[C@H]([NH2+][C@@H]2C[C@H](N)c3ccccc32)C1 ZINC000581601923 357213397 /nfs/dbraw/zinc/21/33/97/357213397.db2.gz ZSDYODYWDQFEKK-RRQGHBQHSA-N 1 3 311.433 2.123 20 0 DEADHO COc1cc(C[NH2+]CCCCN2CCN(C)CC2)ccc1C ZINC000581706381 357232844 /nfs/dbraw/zinc/23/28/44/357232844.db2.gz JBNGNEABOOUXEG-UHFFFAOYSA-N 1 3 305.466 2.121 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(CN3CCCC3=O)cc2)C1 ZINC000584729879 357300454 /nfs/dbraw/zinc/30/04/54/357300454.db2.gz HKLWLYLGRPMPIZ-IAGOWNOFSA-N 1 3 301.434 2.169 20 0 DEADHO C[C@@H]1CN(CCOCC2CCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000459366641 283299390 /nfs/dbraw/zinc/29/93/90/283299390.db2.gz CWOITZUNOOEDQS-MJGOQNOKSA-N 1 3 323.525 2.151 20 0 DEADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000661954274 540324518 /nfs/dbraw/zinc/32/45/18/540324518.db2.gz JDVYYTLSDYEBMG-IRXDYDNUSA-N 1 3 318.465 2.073 20 0 DEADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000661954274 540324522 /nfs/dbraw/zinc/32/45/22/540324522.db2.gz JDVYYTLSDYEBMG-IRXDYDNUSA-N 1 3 318.465 2.073 20 0 DEADHO CC(C)COC(=O)N1CCC([NH2+]C[C@]2(C)CCCNC2)CC1 ZINC000496289420 283397763 /nfs/dbraw/zinc/39/77/63/283397763.db2.gz CZOPCVRSUOMGQI-QGZVFWFLSA-N 1 3 311.470 2.223 20 0 DEADHO Cc1ccc(CCC[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cn1 ZINC000428278656 237121080 /nfs/dbraw/zinc/12/10/80/237121080.db2.gz SSIRWHJFWVJARZ-GOSISDBHSA-N 1 3 317.477 2.413 20 0 DEADHO CN(CCCC[NH+](C)C)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000667738600 540517854 /nfs/dbraw/zinc/51/78/54/540517854.db2.gz GGOUPVDZSSJWLE-UHFFFAOYSA-N 1 3 304.438 2.138 20 0 DEADHO CN(C)CCN(Cc1ccco1)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667726297 540515097 /nfs/dbraw/zinc/51/50/97/540515097.db2.gz QUPGBZDDBVZYKI-UHFFFAOYSA-N 1 3 316.405 2.334 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCC1(C)C ZINC000667811012 540532654 /nfs/dbraw/zinc/53/26/54/540532654.db2.gz ACGRZXRHHMGFBV-JKSUJKDBSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCC1(C)C ZINC000667811012 540532657 /nfs/dbraw/zinc/53/26/57/540532657.db2.gz ACGRZXRHHMGFBV-JKSUJKDBSA-N 1 3 309.498 2.297 20 0 DEADHO C[NH+]1CCC([C@@H]2CCN(Cc3ccnn3CC3CC3)C2)CC1 ZINC000668169288 540606386 /nfs/dbraw/zinc/60/63/86/540606386.db2.gz MTXCCDLRCCOASY-QGZVFWFLSA-N 1 3 302.466 2.457 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)C1CCC(C2CC2)CC1 ZINC000668302486 540642566 /nfs/dbraw/zinc/64/25/66/540642566.db2.gz IJLQUEHDWSGBJH-UHFFFAOYSA-N 1 3 309.498 2.155 20 0 DEADHO C[C@@]1(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CC[NH2+]C1 ZINC000237589983 202295725 /nfs/dbraw/zinc/29/57/25/202295725.db2.gz FLWUKSOMTDSMQY-RHSMWYFYSA-N 1 3 321.490 2.076 20 0 DEADHO CCN(C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000189412912 200397037 /nfs/dbraw/zinc/39/70/37/200397037.db2.gz LXBZEKWDQFPPCL-LSDHHAIUSA-N 1 3 321.465 2.144 20 0 DEADHO C[C@@H](C(=O)NCc1ccccc1Cl)N1CCC[C@H](CC[NH3+])C1 ZINC000443064296 238102423 /nfs/dbraw/zinc/10/24/23/238102423.db2.gz XWNYAHUIACRTPM-UONOGXRCSA-N 1 3 323.868 2.406 20 0 DEADHO [NH3+]CC[C@@H]1CCCN([C@H]2CCCN(c3cccc(F)c3)C2=O)C1 ZINC000443073100 238102908 /nfs/dbraw/zinc/10/29/08/238102908.db2.gz OPZYVAHDTFWAJI-YOEHRIQHSA-N 1 3 319.424 2.382 20 0 DEADHO C[C@@H](CNC(=O)N[C@@H](C)C1CC[NH+](C)CC1)N1CCC(C)CC1 ZINC000606659941 361030535 /nfs/dbraw/zinc/03/05/35/361030535.db2.gz DWZQISVLBNRMBC-HOTGVXAUSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000417328264 296027225 /nfs/dbraw/zinc/02/72/25/296027225.db2.gz MCLGOWUGYWJLBA-QKPAOTATSA-N 1 3 310.486 2.018 20 0 DEADHO C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC1=CCN(C)CC1 ZINC000271882205 209292473 /nfs/dbraw/zinc/29/24/73/209292473.db2.gz PQZNTCKMEWNWLG-ZDUSSCGKSA-N 1 3 305.397 2.394 20 0 DEADHO C[C@@H]([NH3+])CCC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000193303441 201024621 /nfs/dbraw/zinc/02/46/21/201024621.db2.gz JESFGXOREQXFTQ-WBVHZDCISA-N 1 3 303.450 2.285 20 0 DEADHO C[NH+]1CCC(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1 ZINC000193426982 201050029 /nfs/dbraw/zinc/05/00/29/201050029.db2.gz CZDOMXCJWLPYNR-SFHVURJKSA-N 1 3 311.429 2.298 20 0 DEADHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1cccc2n[nH]cc21 ZINC000628277727 366790898 /nfs/dbraw/zinc/79/08/98/366790898.db2.gz GASFJFBSVZUNCG-UHFFFAOYSA-N 1 3 315.465 2.021 20 0 DEADHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1cccc2n[nH]cc21 ZINC000628277727 366790903 /nfs/dbraw/zinc/79/09/03/366790903.db2.gz GASFJFBSVZUNCG-UHFFFAOYSA-N 1 3 315.465 2.021 20 0 DEADHO COc1cc(CNCCN2CCC([NH+](C)C)CC2)ccc1C ZINC000194353909 201209565 /nfs/dbraw/zinc/20/95/65/201209565.db2.gz ZJKRGWJZJCUDPY-UHFFFAOYSA-N 1 3 305.466 2.119 20 0 DEADHO CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H]2CCCN(C)C2)CC1 ZINC000674328551 541205250 /nfs/dbraw/zinc/20/52/50/541205250.db2.gz OGPOBCGWTMUSCJ-QGZVFWFLSA-N 1 3 324.513 2.138 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000621103440 364255029 /nfs/dbraw/zinc/25/50/29/364255029.db2.gz CAWGFGBFXLYDJE-IAGOWNOFSA-N 1 3 307.482 2.099 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000621103440 364255039 /nfs/dbraw/zinc/25/50/39/364255039.db2.gz CAWGFGBFXLYDJE-IAGOWNOFSA-N 1 3 307.482 2.099 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCN(CC3CC3)C2)[C@@H](C)C1 ZINC000675833697 541389124 /nfs/dbraw/zinc/38/91/24/541389124.db2.gz NHHAEPYHWWEADY-UHOSZYNNSA-N 1 3 323.525 2.197 20 0 DEADHO CN(C)CCN(C)CCC[NH2+]Cc1cccc2cccnc21 ZINC000623088357 364880801 /nfs/dbraw/zinc/88/08/01/364880801.db2.gz IIUPXIHUPVUIOE-UHFFFAOYSA-N 1 3 300.450 2.208 20 0 DEADHO C[C@@H](NC(=O)NC(C)(C)CC[NH3+])[C@H](c1ccccc1)N(C)C ZINC000422623447 296074980 /nfs/dbraw/zinc/07/49/80/296074980.db2.gz VQTHDXSGOQXNKS-UKRRQHHQSA-N 1 3 306.454 2.104 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCC(C)(F)F ZINC000624651050 365503475 /nfs/dbraw/zinc/50/34/75/365503475.db2.gz HHVPPDXUTNOSEX-CQSZACIVSA-N 1 3 319.440 2.296 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCC(C)(F)F ZINC000624651050 365503480 /nfs/dbraw/zinc/50/34/80/365503480.db2.gz HHVPPDXUTNOSEX-CQSZACIVSA-N 1 3 319.440 2.296 20 0 DEADHO CCN1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000449818351 241122449 /nfs/dbraw/zinc/12/24/49/241122449.db2.gz DRCCWCNGIIVAPB-RDJZCZTQSA-N 1 3 307.482 2.384 20 0 DEADHO Cc1ccc2ncc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)cc2c1 ZINC000629538253 367240573 /nfs/dbraw/zinc/24/05/73/367240573.db2.gz STEKUJWUFBYNIT-GOSISDBHSA-N 1 3 310.445 2.023 20 0 DEADHO O[C@H](CNCCCSc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000629555262 367247367 /nfs/dbraw/zinc/24/73/67/367247367.db2.gz RFRCBWVBDKOMIK-OAHLLOKOSA-N 1 3 312.454 2.354 20 0 DEADHO O[C@@H](C[NH2+]C[C@@H]1SCCc2ccccc21)CN1CCCC1 ZINC000629564500 367254835 /nfs/dbraw/zinc/25/48/35/367254835.db2.gz LOCAQDQCFJCUOX-RDJZCZTQSA-N 1 3 306.475 2.063 20 0 DEADHO O[C@@H](CNCC1(Cc2ccccc2)CCC1)C[NH+]1CCCC1 ZINC000629564739 367255010 /nfs/dbraw/zinc/25/50/10/367255010.db2.gz BGLYLZCTSWIFOQ-SFHVURJKSA-N 1 3 302.462 2.446 20 0 DEADHO COCc1ccc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)o1 ZINC000629648194 367286148 /nfs/dbraw/zinc/28/61/48/367286148.db2.gz HAHMIAVMQMJUMN-WMLDXEAASA-N 1 3 308.422 2.144 20 0 DEADHO CC[C@H](C)[NH2+][C@@H](CNC(=O)CN(C)C1CCC1)c1ccco1 ZINC000629991956 367424707 /nfs/dbraw/zinc/42/47/07/367424707.db2.gz IXTDEAIMFWNGEC-ZFWWWQNUSA-N 1 3 307.438 2.309 20 0 DEADHO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000439838062 296108502 /nfs/dbraw/zinc/10/85/02/296108502.db2.gz AZXGFQCBXRPTOZ-QZTJIDSGSA-N 1 3 319.493 2.480 20 0 DEADHO O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000439838062 296108503 /nfs/dbraw/zinc/10/85/03/296108503.db2.gz AZXGFQCBXRPTOZ-QZTJIDSGSA-N 1 3 319.493 2.480 20 0 DEADHO CCC[C@](C)([NH3+])C(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000430742709 284004260 /nfs/dbraw/zinc/00/42/60/284004260.db2.gz YCCCEMZCXWQGFL-MJGOQNOKSA-N 1 3 317.477 2.457 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H]2CCCc3ncccc32)CC1 ZINC000631565858 368290050 /nfs/dbraw/zinc/29/00/50/368290050.db2.gz JTSSHGOXBCRYSE-GOSISDBHSA-N 1 3 302.466 2.076 20 0 DEADHO CC[C@@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H]1O ZINC000678342199 541716107 /nfs/dbraw/zinc/71/61/07/541716107.db2.gz ODJLTXAUDXLJSD-MJGOQNOKSA-N 1 3 318.461 2.364 20 0 DEADHO C[C@H]1C[C@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])CN1Cc1ccccc1 ZINC000261724788 203103006 /nfs/dbraw/zinc/10/30/06/203103006.db2.gz KKNCJINSFDNNOR-LEUOFYLZSA-N 1 3 315.461 2.283 20 0 DEADHO C[C@@H]([NH2+][C@@H](CO)CC1CC1)c1ccc(OCCN(C)C)cc1 ZINC000678607579 541750433 /nfs/dbraw/zinc/75/04/33/541750433.db2.gz QUFTXAIMFBNODP-RHSMWYFYSA-N 1 3 306.450 2.439 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000262319915 203260664 /nfs/dbraw/zinc/26/06/64/203260664.db2.gz VKOKNRFQTCAASX-RCCFBDPRSA-N 1 3 315.461 2.457 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3CC=CC3)CC2)CC1 ZINC000529710914 284245703 /nfs/dbraw/zinc/24/57/03/284245703.db2.gz WXYYENGFOOIDGM-UHFFFAOYSA-N 1 3 319.493 2.265 20 0 DEADHO CCN(CC)CC(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000264751396 204126820 /nfs/dbraw/zinc/12/68/20/204126820.db2.gz LNMPUKMEHFYNTK-UHFFFAOYSA-N 1 3 305.466 2.485 20 0 DEADHO CCN(CC)CC(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000264751396 204126822 /nfs/dbraw/zinc/12/68/22/204126822.db2.gz LNMPUKMEHFYNTK-UHFFFAOYSA-N 1 3 305.466 2.485 20 0 DEADHO COc1ccc([C@@H]([NH2+]CC2(O)CCN(C)CC2)C(C)C)cc1 ZINC000271749977 209180079 /nfs/dbraw/zinc/18/00/79/209180079.db2.gz RNBVVYMCTINHHD-KRWDZBQOSA-N 1 3 306.450 2.439 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000530026101 284320058 /nfs/dbraw/zinc/32/00/58/284320058.db2.gz BQDQRKATXIFYBM-GOSISDBHSA-N 1 3 315.461 2.495 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000530026101 284320060 /nfs/dbraw/zinc/32/00/60/284320060.db2.gz BQDQRKATXIFYBM-GOSISDBHSA-N 1 3 315.461 2.495 20 0 DEADHO CC[NH2+]CC1CCN([C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000530212150 284374583 /nfs/dbraw/zinc/37/45/83/284374583.db2.gz PAOXSQSQXNQVJC-KRWDZBQOSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530219653 284376811 /nfs/dbraw/zinc/37/68/11/284376811.db2.gz MJIHNPKPQMXVIA-NJAFHUGGSA-N 1 3 314.477 2.166 20 0 DEADHO C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000530276173 284393234 /nfs/dbraw/zinc/39/32/34/284393234.db2.gz KHGYGENPHVWFGL-DOTOQJQBSA-N 1 3 307.482 2.384 20 0 DEADHO C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000530276173 284393238 /nfs/dbraw/zinc/39/32/38/284393238.db2.gz KHGYGENPHVWFGL-DOTOQJQBSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@H]([NH2+]CCc1cncn1C)c1cccc(OCCN(C)C)c1 ZINC000530407256 284415261 /nfs/dbraw/zinc/41/52/61/284415261.db2.gz IRRXINAPFUMWRG-HNNXBMFYSA-N 1 3 316.449 2.254 20 0 DEADHO COc1ccc2c(c1)[C@@H]([NH2+]CCCCN1CCN(C)CC1)CC2 ZINC000154365103 291586797 /nfs/dbraw/zinc/58/67/97/291586797.db2.gz YZPYYPTXSTYPGP-IBGZPJMESA-N 1 3 317.477 2.300 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCC3CC3)[C@@H]2C1 ZINC001369421227 1148966552 /nfs/dbraw/zinc/96/65/52/1148966552.db2.gz PWUGUPVRPZXBLT-KSZLIROESA-N 1 3 321.509 2.345 20 0 DEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCNC(=O)/C=C/c1ccccc1 ZINC000493464085 249298904 /nfs/dbraw/zinc/29/89/04/249298904.db2.gz LCVDQHSVSRLKGR-JWSDNSILSA-N 1 3 315.461 2.313 20 0 DEADHO C[C@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC[C@@H]1O ZINC000681752801 542201612 /nfs/dbraw/zinc/20/16/12/542201612.db2.gz HBWHAGIHQISTDA-LPHOPBHVSA-N 1 3 318.461 2.364 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000105241762 194088607 /nfs/dbraw/zinc/08/86/07/194088607.db2.gz OWBNYZAZTYQENA-MRXNPFEDSA-N 1 3 312.502 2.234 20 0 DEADHO CN1CCN(CC[NH2+][C@H]2CCCc3c(O)cccc32)CC1(C)C ZINC000285254019 218353800 /nfs/dbraw/zinc/35/38/00/218353800.db2.gz QBGMNWKVVICMHB-KRWDZBQOSA-N 1 3 317.477 2.385 20 0 DEADHO COC[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)C(C)C ZINC000268907590 207075438 /nfs/dbraw/zinc/07/54/38/207075438.db2.gz SFUVTNSUZGYJCI-SFHVURJKSA-N 1 3 308.466 2.430 20 0 DEADHO C[C@H](CC[NH+](C)C)N[C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000269002695 207159263 /nfs/dbraw/zinc/15/92/63/207159263.db2.gz LYUKTOAUCMVHJT-NEPJUHHUSA-N 1 3 312.845 2.382 20 0 DEADHO C[NH+](C)CCOc1ccc(CNCCOC(F)(F)F)cc1 ZINC000682730800 542349653 /nfs/dbraw/zinc/34/96/53/542349653.db2.gz PLEXWEMKARSXCT-UHFFFAOYSA-N 1 3 306.328 2.253 20 0 DEADHO CC(C)[C@@H](N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000269253322 207391191 /nfs/dbraw/zinc/39/11/91/207391191.db2.gz IOEQHLAWGAFGSL-RHSMWYFYSA-N 1 3 319.449 2.329 20 0 DEADHO CC(C)[C@@H](N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000269253322 207391196 /nfs/dbraw/zinc/39/11/96/207391196.db2.gz IOEQHLAWGAFGSL-RHSMWYFYSA-N 1 3 319.449 2.329 20 0 DEADHO COc1cc(NCCN[C@@H]2CC[NH2+]CC[C@H]2C)cc(OC)c1 ZINC000423007462 533032768 /nfs/dbraw/zinc/03/27/68/533032768.db2.gz XTAFPCGQRSIUDN-CXAGYDPISA-N 1 3 307.438 2.093 20 0 DEADHO COCCC[NH+]1CCC(N[C@@H](COC)Cc2ccccc2)CC1 ZINC000159138296 197330671 /nfs/dbraw/zinc/33/06/71/197330671.db2.gz PAXKDHIRHCWLDY-LJQANCHMSA-N 1 3 320.477 2.335 20 0 DEADHO COc1cc(OC)cc(OCCN[C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422934675 533078858 /nfs/dbraw/zinc/07/88/58/533078858.db2.gz GFNOJQIIXRZSDM-CXAGYDPISA-N 1 3 308.422 2.060 20 0 DEADHO COc1cc(OC)cc(OCCN[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422935645 533078921 /nfs/dbraw/zinc/07/89/21/533078921.db2.gz HFQKMOHYFGKEIT-SUMWQHHRSA-N 1 3 308.422 2.190 20 0 DEADHO COc1cc(OC)cc(OCC[NH2+][C@@H]2CCCC[C@H]2CN)c1 ZINC000422935645 533078923 /nfs/dbraw/zinc/07/89/23/533078923.db2.gz HFQKMOHYFGKEIT-SUMWQHHRSA-N 1 3 308.422 2.190 20 0 DEADHO COc1cc(OC)cc(OCCN[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422935643 533078002 /nfs/dbraw/zinc/07/80/02/533078002.db2.gz HFQKMOHYFGKEIT-DYVFJYSZSA-N 1 3 308.422 2.190 20 0 DEADHO COc1cc(OC)cc(OCC[NH2+][C@H]2CCCC[C@@H]2CN)c1 ZINC000422935643 533078005 /nfs/dbraw/zinc/07/80/05/533078005.db2.gz HFQKMOHYFGKEIT-DYVFJYSZSA-N 1 3 308.422 2.190 20 0 DEADHO CSc1nnc(CCC[NH2+][C@H](C)C[C@H](C)N)n1CC(C)C ZINC000422725768 533086129 /nfs/dbraw/zinc/08/61/29/533086129.db2.gz CEUWWZOLJBRMSP-QWHCGFSZSA-N 1 3 313.515 2.304 20 0 DEADHO CSc1nnc(CCCN[C@H](C)C[C@H](C)[NH3+])n1CC(C)C ZINC000422725768 533086134 /nfs/dbraw/zinc/08/61/34/533086134.db2.gz CEUWWZOLJBRMSP-QWHCGFSZSA-N 1 3 313.515 2.304 20 0 DEADHO CN(CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CC1)Cc1ccco1 ZINC000286466314 219004932 /nfs/dbraw/zinc/00/49/32/219004932.db2.gz IIAWSEOTTZDZFU-QGZVFWFLSA-N 1 3 319.449 2.187 20 0 DEADHO CN(CCCN(C)C(=O)[C@H]1CCC[N@H+]1C1CC1)Cc1ccco1 ZINC000286466314 219004933 /nfs/dbraw/zinc/00/49/33/219004933.db2.gz IIAWSEOTTZDZFU-QGZVFWFLSA-N 1 3 319.449 2.187 20 0 DEADHO CSCC[C@@H](N)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000158171341 197249310 /nfs/dbraw/zinc/24/93/10/197249310.db2.gz KBNWSZXHILVUBU-MRXNPFEDSA-N 1 3 321.490 2.344 20 0 DEADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC000156369398 197108054 /nfs/dbraw/zinc/10/80/54/197108054.db2.gz ZDMDFILMULMYGC-QGZVFWFLSA-N 1 3 303.450 2.352 20 0 DEADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC000156369398 197108056 /nfs/dbraw/zinc/10/80/56/197108056.db2.gz ZDMDFILMULMYGC-QGZVFWFLSA-N 1 3 303.450 2.352 20 0 DEADHO COc1ccc([C@H](CN[C@@H](C)C[C@@H](C)[NH3+])N(C)C)cc1OC ZINC000422984416 533184155 /nfs/dbraw/zinc/18/41/55/533184155.db2.gz AUZGMUJSYBBZCC-IPYPFGDCSA-N 1 3 309.454 2.022 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)C(F)(F)F ZINC000361689794 285247731 /nfs/dbraw/zinc/24/77/31/285247731.db2.gz ADIJYCHEMFEYDC-QWHCGFSZSA-N 1 3 323.403 2.059 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)C(F)(F)F ZINC000361689794 285247733 /nfs/dbraw/zinc/24/77/33/285247733.db2.gz ADIJYCHEMFEYDC-QWHCGFSZSA-N 1 3 323.403 2.059 20 0 DEADHO CCC[N@@H+]1CC[C@H](CNC(=O)N(C)[C@@H](C)C2CCN(C)CC2)C1 ZINC000542713535 285245192 /nfs/dbraw/zinc/24/51/92/285245192.db2.gz XIGNZBDOYINYTJ-JKSUJKDBSA-N 1 3 324.513 2.090 20 0 DEADHO CCC[N@H+]1CC[C@H](CNC(=O)N(C)[C@@H](C)C2CCN(C)CC2)C1 ZINC000542713535 285245195 /nfs/dbraw/zinc/24/51/95/285245195.db2.gz XIGNZBDOYINYTJ-JKSUJKDBSA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CC[C@@H](C)C1 ZINC000345622003 285248577 /nfs/dbraw/zinc/24/85/77/285248577.db2.gz OFMQQYANKOEBQG-IXDOHACOSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CC[C@@H](C)C1 ZINC000345622003 285248579 /nfs/dbraw/zinc/24/85/79/285248579.db2.gz OFMQQYANKOEBQG-IXDOHACOSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC1(C)C ZINC000358490159 285278740 /nfs/dbraw/zinc/27/87/40/285278740.db2.gz YYWXTJCKYPBOPU-JKSUJKDBSA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC1(C)C ZINC000358490159 285278742 /nfs/dbraw/zinc/27/87/42/285278742.db2.gz YYWXTJCKYPBOPU-JKSUJKDBSA-N 1 3 324.513 2.233 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+]2CCC23CCOCC3)cc1 ZINC000683719867 542488172 /nfs/dbraw/zinc/48/81/72/542488172.db2.gz CYDASBSSYYAYBU-UHFFFAOYSA-N 1 3 304.434 2.382 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+]2CCC23CCOCC3)cc1 ZINC000683719867 542488175 /nfs/dbraw/zinc/48/81/75/542488175.db2.gz CYDASBSSYYAYBU-UHFFFAOYSA-N 1 3 304.434 2.382 20 0 DEADHO C[C@H]([NH2+]C[C@H]1CNc2ccnn2C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000684201472 542570817 /nfs/dbraw/zinc/57/08/17/542570817.db2.gz OGROAZVAKNUJHM-HRCADAONSA-N 1 3 317.481 2.167 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001368657266 1148556383 /nfs/dbraw/zinc/55/63/83/1148556383.db2.gz MFVRYEHFVFASBT-WMZOPIPTSA-N 1 3 317.477 2.272 20 0 DEADHO O[C@H]1CCN(Cc2ccccc2C[NH2+]C[C@@H]2CCC=CO2)C1 ZINC000194610700 285366426 /nfs/dbraw/zinc/36/64/26/285366426.db2.gz BCBVVTFXLGYIGP-ROUUACIJSA-N 1 3 302.418 2.036 20 0 DEADHO COc1ccc(C)cc1CCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422784479 533385011 /nfs/dbraw/zinc/38/50/11/533385011.db2.gz MGMHVKOZGIXNSR-OKZBNKHCSA-N 1 3 318.461 2.293 20 0 DEADHO C[C@@H](NC(C)(C)CNC(=O)N[C@@H](C)CC[NH3+])c1ccccc1 ZINC000417698249 533323282 /nfs/dbraw/zinc/32/32/82/533323282.db2.gz GDNKZDLKGRATCN-UONOGXRCSA-N 1 3 306.454 2.152 20 0 DEADHO c1c(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)nc2n1CCCC2 ZINC000422830083 285416803 /nfs/dbraw/zinc/41/68/03/285416803.db2.gz HYPNYEORXNNCFL-ZACQAIPSSA-N 1 3 302.466 2.272 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+]2CCC[C@](C)(O)CC2)cc1 ZINC000684412983 542603487 /nfs/dbraw/zinc/60/34/87/542603487.db2.gz JLVNDLRIWGLXBR-SFHVURJKSA-N 1 3 306.450 2.364 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+]2CCC[C@](C)(O)CC2)cc1 ZINC000684412983 542603490 /nfs/dbraw/zinc/60/34/90/542603490.db2.gz JLVNDLRIWGLXBR-SFHVURJKSA-N 1 3 306.450 2.364 20 0 DEADHO Cc1cc([C@H](C)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c(C)o1 ZINC000423458273 291987828 /nfs/dbraw/zinc/98/78/28/291987828.db2.gz PXFKVRYWHCXEIJ-XZOAIXRZSA-N 1 3 319.449 2.194 20 0 DEADHO CN1CCN(CCCC[NH2+][C@H]2CCCc3cccnc32)CC1 ZINC000684953780 542690952 /nfs/dbraw/zinc/69/09/52/542690952.db2.gz LNIIDEBXRXAQLT-KRWDZBQOSA-N 1 3 302.466 2.076 20 0 DEADHO C[C@@H](CNC(=O)Nc1cccc2c1CCNC2)C[NH+]1CCCC1 ZINC000562767831 292009770 /nfs/dbraw/zinc/00/97/70/292009770.db2.gz PLSRCBCQGOJRCH-AWEZNQCLSA-N 1 3 316.449 2.186 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CN2CCC(C)(C)C2)C1 ZINC000562863819 292015141 /nfs/dbraw/zinc/01/51/41/292015141.db2.gz JNVFMIOAMWVOIJ-IYBDPMFKSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CN2CCC(C)(C)C2)C1 ZINC000562863819 292015143 /nfs/dbraw/zinc/01/51/43/292015143.db2.gz JNVFMIOAMWVOIJ-IYBDPMFKSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@H](CNC(=O)N[C@H](C)C1=CCN(C)CC1)C[NH+]1CCCCC1 ZINC000357879229 133106703 /nfs/dbraw/zinc/10/67/03/133106703.db2.gz VKGACJPUWSZBFH-HZPDHXFCSA-N 1 3 322.497 2.058 20 0 DEADHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(Cl)cn1 ZINC000359623290 133135169 /nfs/dbraw/zinc/13/51/69/133135169.db2.gz UQQRAGUQGSGTED-ZDUSSCGKSA-N 1 3 310.873 2.412 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000360125040 133163464 /nfs/dbraw/zinc/16/34/64/133163464.db2.gz NHVGCWOQSGYHFF-INIZCTEOSA-N 1 3 324.513 2.375 20 0 DEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000360125040 133163465 /nfs/dbraw/zinc/16/34/65/133163465.db2.gz NHVGCWOQSGYHFF-INIZCTEOSA-N 1 3 324.513 2.375 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)C1 ZINC000362349642 133225302 /nfs/dbraw/zinc/22/53/02/133225302.db2.gz WEAKJNGZGATNEU-BBWFWOEESA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)C1 ZINC000362349642 133225303 /nfs/dbraw/zinc/22/53/03/133225303.db2.gz WEAKJNGZGATNEU-BBWFWOEESA-N 1 3 324.513 2.233 20 0 DEADHO Cc1ccncc1CCC[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000377544553 133333627 /nfs/dbraw/zinc/33/36/27/133333627.db2.gz UZLDYNBORMTACC-SFHVURJKSA-N 1 3 316.493 2.081 20 0 DEADHO O=C(NCCN1CCCCC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000372719361 133363295 /nfs/dbraw/zinc/36/32/95/133363295.db2.gz TVYSGDHGDPZEIO-INIZCTEOSA-N 1 3 307.482 2.243 20 0 DEADHO O=C(NCCN1CCCCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000372719361 133363296 /nfs/dbraw/zinc/36/32/96/133363296.db2.gz TVYSGDHGDPZEIO-INIZCTEOSA-N 1 3 307.482 2.243 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000563072521 292029759 /nfs/dbraw/zinc/02/97/59/292029759.db2.gz QCVMNZOZWIAUQI-RLFYNMQTSA-N 1 3 315.461 2.326 20 0 DEADHO CCN(C)C[C@H](O)C[NH2+][C@H](c1ccccc1)C1(CO)CCCC1 ZINC000563367562 292050199 /nfs/dbraw/zinc/05/01/99/292050199.db2.gz VIYGVFLJRQHWPW-QZTJIDSGSA-N 1 3 320.477 2.183 20 0 DEADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H]1CCC2(CCCC2)O1 ZINC000563550956 292062704 /nfs/dbraw/zinc/06/27/04/292062704.db2.gz LZEMSRWTQHSVPT-SFHVURJKSA-N 1 3 323.525 2.436 20 0 DEADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H]1CCC2(CCCC2)O1 ZINC000563550956 292062705 /nfs/dbraw/zinc/06/27/05/292062705.db2.gz LZEMSRWTQHSVPT-SFHVURJKSA-N 1 3 323.525 2.436 20 0 DEADHO Cn1cc([C@@H](NCC2CC[NH2+]CC2)c2cccc(F)c2)cn1 ZINC000564822248 292112740 /nfs/dbraw/zinc/11/27/40/292112740.db2.gz JWRDEWATKAVTJL-KRWDZBQOSA-N 1 3 302.397 2.238 20 0 DEADHO CC1(C(=O)N2CCC([NH3+])CC2)CCN(Cc2ccccc2)CC1 ZINC000564936397 292122108 /nfs/dbraw/zinc/12/21/08/292122108.db2.gz GOPMPNGKFKKCGQ-UHFFFAOYSA-N 1 3 315.461 2.238 20 0 DEADHO Cc1c[nH+]ccc1NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000192560696 145075328 /nfs/dbraw/zinc/07/53/28/145075328.db2.gz PHWZBRHBMZTNIY-UHFFFAOYSA-N 1 3 312.417 2.294 20 0 DEADHO CCN1CC[C@H]([NH2+]Cc2ccccc2N2CCOCC2)[C@@H](C)C1 ZINC000246830896 145116551 /nfs/dbraw/zinc/11/65/51/145116551.db2.gz CVYOURCRENKHCW-WMZOPIPTSA-N 1 3 317.477 2.343 20 0 DEADHO CCN1CC[C@H]([NH2+][C@H]2CC(=O)N(c3ccccc3)C2)[C@@H](C)C1 ZINC000246876537 145117676 /nfs/dbraw/zinc/11/76/76/145117676.db2.gz CUVJDUDZDALWCN-ZOBUZTSGSA-N 1 3 301.434 2.112 20 0 DEADHO C[C@@H]1CN(C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H](C)O1 ZINC000249037066 145176089 /nfs/dbraw/zinc/17/60/89/145176089.db2.gz SXYVNLXKIHHHOQ-DQIHPLBOSA-N 1 3 309.498 2.089 20 0 DEADHO C[C@@H]1CN(C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H](C)O1 ZINC000249037066 145176091 /nfs/dbraw/zinc/17/60/91/145176091.db2.gz SXYVNLXKIHHHOQ-DQIHPLBOSA-N 1 3 309.498 2.089 20 0 DEADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc2c(c1)C[NH2+]C2 ZINC000261537599 145206379 /nfs/dbraw/zinc/20/63/79/145206379.db2.gz RDLVGRVHIUKHLZ-IBGZPJMESA-N 1 3 321.424 2.294 20 0 DEADHO O=C(CC[C@@H]1CC[NH2+]C1)NC1CCN(Cc2ccccc2)CC1 ZINC000261557021 145207710 /nfs/dbraw/zinc/20/77/10/145207710.db2.gz WRGIHCDJRNALAX-MRXNPFEDSA-N 1 3 315.461 2.157 20 0 DEADHO C[C@H](CC(=O)NC[C@H](c1ccccc1)N(C)C)[C@H]1CCC[NH2+]C1 ZINC000261663607 145215002 /nfs/dbraw/zinc/21/50/02/145215002.db2.gz GKWWDONIIMJBQG-BPQIPLTHSA-N 1 3 317.477 2.431 20 0 DEADHO C[C@@H]([NH3+])CC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000261763897 145224225 /nfs/dbraw/zinc/22/42/25/145224225.db2.gz IGBPYXCUQSPHPM-KGLIPLIRSA-N 1 3 309.479 2.375 20 0 DEADHO Cc1cc(CN2CC[C@H](N3CC[NH2+]CC3)C2)c2ccccc2n1 ZINC000261963170 145247915 /nfs/dbraw/zinc/24/79/15/145247915.db2.gz XZBQMEUOJCQMEJ-KRWDZBQOSA-N 1 3 310.445 2.023 20 0 DEADHO C[NH2+]CCC1CCN([C@H](C)C(=O)NCCc2cccs2)CC1 ZINC000261997277 145251404 /nfs/dbraw/zinc/25/14/04/145251404.db2.gz OEEYIIBBLKLSSQ-CQSZACIVSA-N 1 3 323.506 2.117 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCN(Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000262084030 145259746 /nfs/dbraw/zinc/25/97/46/145259746.db2.gz FTYKKGZCQQYMLI-LESCRADOSA-N 1 3 304.434 2.414 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCC(=O)Nc3cccc(F)c3)C[C@@H]21 ZINC000262092915 145260715 /nfs/dbraw/zinc/26/07/15/145260715.db2.gz IBQSXOMANPTPDE-UHOFOFEASA-N 1 3 305.397 2.214 20 0 DEADHO Cc1ccc(C)c(CN2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000262142909 145266177 /nfs/dbraw/zinc/26/61/77/145266177.db2.gz ZIIDHVQSEURMPD-KRWDZBQOSA-N 1 3 303.450 2.123 20 0 DEADHO C[C@H](C[NH3+])C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000262509504 145288573 /nfs/dbraw/zinc/28/85/73/145288573.db2.gz JKQZBMPLDGVEHJ-RHSMWYFYSA-N 1 3 317.477 2.170 20 0 DEADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(Oc4cnccn4)cc3)C[C@@H]12 ZINC000346833847 146150271 /nfs/dbraw/zinc/15/02/71/146150271.db2.gz MRFNORCYKHFQBX-DJIMGWMZSA-N 1 3 310.401 2.438 20 0 DEADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3c[nH]nc3-c3ccc(F)cc3)C[C@@H]12 ZINC000346834769 146150650 /nfs/dbraw/zinc/15/06/50/146150650.db2.gz SYNYRBNFYSGTQY-DAXOMENPSA-N 1 3 300.381 2.385 20 0 DEADHO CNC(=O)C[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000346868727 146155987 /nfs/dbraw/zinc/15/59/87/146155987.db2.gz CMAFUDTTZTXXJF-LEUOFYLZSA-N 1 3 315.461 2.011 20 0 DEADHO CNC(=O)C[C@H](C)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000346868727 146155989 /nfs/dbraw/zinc/15/59/89/146155989.db2.gz CMAFUDTTZTXXJF-LEUOFYLZSA-N 1 3 315.461 2.011 20 0 DEADHO CNC(=O)C[C@H](C)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000346868727 146155992 /nfs/dbraw/zinc/15/59/92/146155992.db2.gz CMAFUDTTZTXXJF-LEUOFYLZSA-N 1 3 315.461 2.011 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCCN(Cc2ccccc2N2CCOCC2)C1 ZINC000347008708 146178825 /nfs/dbraw/zinc/17/88/25/146178825.db2.gz RYIVFTWUUBGDGQ-HOTGVXAUSA-N 1 3 303.450 2.082 20 0 DEADHO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccccc2N2CCOCC2)C1 ZINC000347008710 146178955 /nfs/dbraw/zinc/17/89/55/146178955.db2.gz RYIVFTWUUBGDGQ-HZPDHXFCSA-N 1 3 303.450 2.082 20 0 DEADHO CC(=O)N1CC[C@H](N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000348099998 146216502 /nfs/dbraw/zinc/21/65/02/146216502.db2.gz YMNXWQGDRKCMKB-MNEFBYGVSA-N 1 3 315.461 2.107 20 0 DEADHO CC(=O)N1CC[C@H](N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000348099998 146216503 /nfs/dbraw/zinc/21/65/03/146216503.db2.gz YMNXWQGDRKCMKB-MNEFBYGVSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@H](CN(C)C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000348306964 146252322 /nfs/dbraw/zinc/25/23/22/146252322.db2.gz PPYGVNVXFKCFGK-XGXHKWSGSA-N 1 3 301.478 2.437 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cnn(C(C)C)c1 ZINC000349060860 146346311 /nfs/dbraw/zinc/34/63/11/146346311.db2.gz GPIYAYVKHCXGAQ-GOSISDBHSA-N 1 3 321.513 2.312 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cnn(C(C)C)c1 ZINC000349060860 146346313 /nfs/dbraw/zinc/34/63/13/146346313.db2.gz GPIYAYVKHCXGAQ-GOSISDBHSA-N 1 3 321.513 2.312 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000349114532 146351622 /nfs/dbraw/zinc/35/16/22/146351622.db2.gz ALKWSBMCRLAUBW-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+](CCC1CCN(CC(=O)N2CCCC2)CC1)CC1CC1 ZINC000357092668 147039930 /nfs/dbraw/zinc/03/99/30/147039930.db2.gz ZISRZBGRDWQEPD-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CC[N@@H+](CCC1CCN(CC(=O)N2CCCC2)CC1)CC1CC1 ZINC000357092668 147039933 /nfs/dbraw/zinc/03/99/33/147039933.db2.gz ZISRZBGRDWQEPD-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO C[C@H](CC(=O)NC[C@@H]1NCCc2ccccc21)C1CC[NH2+]CC1 ZINC000357245491 147072100 /nfs/dbraw/zinc/07/21/00/147072100.db2.gz UWMIAWKRLNBDLM-KDOFPFPSSA-N 1 3 315.461 2.015 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000358253548 147101526 /nfs/dbraw/zinc/10/15/26/147101526.db2.gz WMYVKHHTODYNDL-UHFFFAOYSA-N 1 3 312.502 2.090 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CCN(C)C)CC(C)C ZINC000358320271 147113052 /nfs/dbraw/zinc/11/30/52/147113052.db2.gz ZRNDPIMBHUOTPJ-INIZCTEOSA-N 1 3 312.502 2.090 20 0 DEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N(CCN(C)C)CC(C)C ZINC000358320271 147113053 /nfs/dbraw/zinc/11/30/53/147113053.db2.gz ZRNDPIMBHUOTPJ-INIZCTEOSA-N 1 3 312.502 2.090 20 0 DEADHO C[C@@H](c1ccccc1)N(C)C(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358520471 147149781 /nfs/dbraw/zinc/14/97/81/147149781.db2.gz VALRATOVYZQWDS-INIZCTEOSA-N 1 3 315.461 2.282 20 0 DEADHO CC[N@H+](CCC1CCN([C@@H]2CCN(C)C2=O)CC1)CC(C)C ZINC000358748766 147196227 /nfs/dbraw/zinc/19/62/27/147196227.db2.gz XQFCLLUJPQGEGN-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@@H+](CCC1CCN([C@@H]2CCN(C)C2=O)CC1)CC(C)C ZINC000358748766 147196228 /nfs/dbraw/zinc/19/62/28/147196228.db2.gz XQFCLLUJPQGEGN-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N(CCN(C)C)C(C)C ZINC000360789933 147384842 /nfs/dbraw/zinc/38/48/42/147384842.db2.gz YTWOCHLFVAJDQF-HNNXBMFYSA-N 1 3 300.491 2.088 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N(CCN(C)C)C(C)C ZINC000360789933 147384845 /nfs/dbraw/zinc/38/48/45/147384845.db2.gz YTWOCHLFVAJDQF-HNNXBMFYSA-N 1 3 300.491 2.088 20 0 DEADHO CCN(CC)Cc1cccc(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)c1 ZINC000372431962 148208091 /nfs/dbraw/zinc/20/80/91/148208091.db2.gz QFULIJPCOXDXIQ-WMZOPIPTSA-N 1 3 301.434 2.467 20 0 DEADHO C[C@H](NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[C@H](c1ccccc1)N(C)C ZINC000418160259 533675270 /nfs/dbraw/zinc/67/52/70/533675270.db2.gz BEGQROYPPCBCJV-XJNFMUPTSA-N 1 3 318.465 2.104 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccccc1CN1CCCC1=O ZINC000566089132 292203684 /nfs/dbraw/zinc/20/36/84/292203684.db2.gz SXCIAHVZOOIPGB-YOEHRIQHSA-N 1 3 301.434 2.026 20 0 DEADHO CC(C)Oc1ccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)N)cc1 ZINC000566089613 292204052 /nfs/dbraw/zinc/20/40/52/292204052.db2.gz YDRFCKDAAXJHEV-FHLIZLRMSA-N 1 3 306.450 2.358 20 0 DEADHO CC(C)Oc1ccc(CCN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000566089613 292204053 /nfs/dbraw/zinc/20/40/53/292204053.db2.gz YDRFCKDAAXJHEV-FHLIZLRMSA-N 1 3 306.450 2.358 20 0 DEADHO Cc1ccc(NC(=O)CCNC[C@H]2CC[N@@H+](CC(C)C)C2)nc1 ZINC000566113344 292206667 /nfs/dbraw/zinc/20/66/67/292206667.db2.gz YGHDNYRFFATIAA-MRXNPFEDSA-N 1 3 318.465 2.286 20 0 DEADHO Cc1ccc(NC(=O)CCNC[C@H]2CC[N@H+](CC(C)C)C2)nc1 ZINC000566113344 292206669 /nfs/dbraw/zinc/20/66/69/292206669.db2.gz YGHDNYRFFATIAA-MRXNPFEDSA-N 1 3 318.465 2.286 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](CNCCC(=O)Nc2cccnc2)C1 ZINC000566115415 292206748 /nfs/dbraw/zinc/20/67/48/292206748.db2.gz PPVAZAXSEJUCNT-INIZCTEOSA-N 1 3 318.465 2.368 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](CNCCC(=O)Nc2cccnc2)C1 ZINC000566115415 292206750 /nfs/dbraw/zinc/20/67/50/292206750.db2.gz PPVAZAXSEJUCNT-INIZCTEOSA-N 1 3 318.465 2.368 20 0 DEADHO NC(=O)[C@H]1CCC[N@H+](CCCN[C@H]2CCCc3ccccc32)C1 ZINC000128159840 401765392 /nfs/dbraw/zinc/76/53/92/401765392.db2.gz UWHRXNKNHNECOS-WMZOPIPTSA-N 1 3 315.461 2.241 20 0 DEADHO NC(=O)[C@H]1CCC[N@@H+](CCCN[C@H]2CCCc3ccccc32)C1 ZINC000128159840 401765395 /nfs/dbraw/zinc/76/53/95/401765395.db2.gz UWHRXNKNHNECOS-WMZOPIPTSA-N 1 3 315.461 2.241 20 0 DEADHO C[C@H](Cc1ccc(F)cc1)[NH2+]CCCN1CCCN(C)CC1 ZINC000128439556 401777149 /nfs/dbraw/zinc/77/71/49/401777149.db2.gz UFGNPHSZEJMCIP-MRXNPFEDSA-N 1 3 307.457 2.374 20 0 DEADHO CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000130420502 401831118 /nfs/dbraw/zinc/83/11/18/401831118.db2.gz DGOFHKHKJBDQRW-HUUCEWRRSA-N 1 3 322.497 2.127 20 0 DEADHO CC1CCN(CC(=O)N2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000132793465 401873463 /nfs/dbraw/zinc/87/34/63/401873463.db2.gz JKGMGFFEBHZSAD-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)CC[NH+]1CCC(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000079654123 401878657 /nfs/dbraw/zinc/87/86/57/401878657.db2.gz KDAVPUJHJJCJKG-QGZVFWFLSA-N 1 3 311.514 2.447 20 0 DEADHO CCN(CC)C(=O)CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121977721 402058784 /nfs/dbraw/zinc/05/87/84/402058784.db2.gz SYDOLMKUGPECLF-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000152212671 402082055 /nfs/dbraw/zinc/08/20/55/402082055.db2.gz ILHTWEIXBORPPS-YOEHRIQHSA-N 1 3 303.450 2.256 20 0 DEADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]CCCN1CCc2ccccc2C1 ZINC000122783009 402093774 /nfs/dbraw/zinc/09/37/74/402093774.db2.gz OQKFTXSWTOQFIQ-APWZRJJASA-N 1 3 301.478 2.365 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CCN(CC)CC1 ZINC000066697627 402140224 /nfs/dbraw/zinc/14/02/24/402140224.db2.gz NEMYUZYWGZJGQD-KRWDZBQOSA-N 1 3 324.513 2.425 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC1CCN(CC)CC1 ZINC000066697627 402140225 /nfs/dbraw/zinc/14/02/25/402140225.db2.gz NEMYUZYWGZJGQD-KRWDZBQOSA-N 1 3 324.513 2.425 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000154217063 402199709 /nfs/dbraw/zinc/19/97/09/402199709.db2.gz YNEMGTPICZDINC-SFHVURJKSA-N 1 3 305.441 2.430 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@@H](C)CCC[C@@H]2C)CC1 ZINC000125160934 402216768 /nfs/dbraw/zinc/21/67/68/402216768.db2.gz SRSUHLIASYXBOK-HOTGVXAUSA-N 1 3 309.498 2.486 20 0 DEADHO Fc1ccccc1-c1ccc(CNCCN2CC[NH2+]CC2)o1 ZINC000106950868 402224553 /nfs/dbraw/zinc/22/45/53/402224553.db2.gz NGYHAIYHSUHPNM-UHFFFAOYSA-N 1 3 303.381 2.081 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CN1C1CC1 ZINC000125915867 402256736 /nfs/dbraw/zinc/25/67/36/402256736.db2.gz IBRGODYZIPIMRT-YCPHGPKFSA-N 1 3 324.513 2.277 20 0 DEADHO CN1CCN(CCCC[NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000154338121 402206882 /nfs/dbraw/zinc/20/68/82/402206882.db2.gz UCMFGJAPQFPSJZ-SFHVURJKSA-N 1 3 305.441 2.430 20 0 DEADHO C[C@@H]1CCC[C@](CNC(=O)N2CCC[C@H](N(C)C)C2)([NH+](C)C)C1 ZINC000105173825 402207080 /nfs/dbraw/zinc/20/70/80/402207080.db2.gz IMSRKYLWAHDOKQ-RYRKJORJSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H]1C[C@H](C[NH3+])CN1CCOc1cccc(Br)c1 ZINC000216161529 402286463 /nfs/dbraw/zinc/28/64/63/402286463.db2.gz SMSGZGOXZIPRSQ-VXGBXAGGSA-N 1 3 313.239 2.497 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NC1CC1 ZINC000184746050 402296629 /nfs/dbraw/zinc/29/66/29/402296629.db2.gz IYPINZAKPPLDIJ-RTHVDDQRSA-N 1 3 315.461 2.011 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000176347498 402301555 /nfs/dbraw/zinc/30/15/55/402301555.db2.gz AVLHQPKKJPNXHX-SJORKVTESA-N 1 3 322.497 2.127 20 0 DEADHO C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)N(C)C)[C@@H]1C ZINC000158805751 402311987 /nfs/dbraw/zinc/31/19/87/402311987.db2.gz TYEKTPHYXMWQDR-INMHGKMJSA-N 1 3 303.450 2.136 20 0 DEADHO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)N(C)C)[C@@H]1C ZINC000158805751 402311989 /nfs/dbraw/zinc/31/19/89/402311989.db2.gz TYEKTPHYXMWQDR-INMHGKMJSA-N 1 3 303.450 2.136 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[N@H+](C)C1CCCC1 ZINC000176496672 402314582 /nfs/dbraw/zinc/31/45/82/402314582.db2.gz AUAJCGRRAAGVHB-SJORKVTESA-N 1 3 322.497 2.129 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000176496672 402314585 /nfs/dbraw/zinc/31/45/85/402314585.db2.gz AUAJCGRRAAGVHB-SJORKVTESA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H](CNC(=O)N(CCN(C)C)C1CCCC1)C[NH+]1CCCC1 ZINC000176831219 402340877 /nfs/dbraw/zinc/34/08/77/402340877.db2.gz YIQKYGRPRJMGNS-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H](CNC(=O)C[C@@H](N)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000236723531 402378539 /nfs/dbraw/zinc/37/85/39/402378539.db2.gz XKZBVTDMXHNUER-NVXWUHKLSA-N 1 3 303.450 2.313 20 0 DEADHO C[NH2+]CCCC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000237138351 402395998 /nfs/dbraw/zinc/39/59/98/402395998.db2.gz WWLWGODGOYYCTP-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO C[N@H+](CCNC(=O)[C@@H](CN)c1ccccc1)C1CCCCC1 ZINC000237143401 402396692 /nfs/dbraw/zinc/39/66/92/402396692.db2.gz JOLNSZPXQCGRED-KRWDZBQOSA-N 1 3 303.450 2.110 20 0 DEADHO C[N@@H+](CCNC(=O)[C@@H](CN)c1ccccc1)C1CCCCC1 ZINC000237143401 402396694 /nfs/dbraw/zinc/39/66/94/402396694.db2.gz JOLNSZPXQCGRED-KRWDZBQOSA-N 1 3 303.450 2.110 20 0 DEADHO CSCC[C@@H](N)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000237518130 402410678 /nfs/dbraw/zinc/41/06/78/402410678.db2.gz JNWXROIPQWFALR-GDBMZVCRSA-N 1 3 323.506 2.094 20 0 DEADHO CSCC[C@@H](N)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000237518130 402410681 /nfs/dbraw/zinc/41/06/81/402410681.db2.gz JNWXROIPQWFALR-GDBMZVCRSA-N 1 3 323.506 2.094 20 0 DEADHO CSCC[C@@H](N)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000237518171 402410759 /nfs/dbraw/zinc/41/07/59/402410759.db2.gz JNWXROIPQWFALR-GOEBONIOSA-N 1 3 323.506 2.094 20 0 DEADHO CSCC[C@@H](N)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000237518171 402410763 /nfs/dbraw/zinc/41/07/63/402410763.db2.gz JNWXROIPQWFALR-GOEBONIOSA-N 1 3 323.506 2.094 20 0 DEADHO C[C@]1(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CCCC[NH2+]1 ZINC000237562163 402413147 /nfs/dbraw/zinc/41/31/47/402413147.db2.gz QGRSRGVHFQHVJK-PKOBYXMFSA-N 1 3 315.461 2.299 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)N(C)C ZINC000162832576 402433210 /nfs/dbraw/zinc/43/32/10/402433210.db2.gz TYVFAGQFJZFJKG-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]C[C@@H]2CCN(CC)C2)[C@@H](C)C1 ZINC000163248052 402445575 /nfs/dbraw/zinc/44/55/75/402445575.db2.gz NEUJDBTXWAEBPA-OKZBNKHCSA-N 1 3 311.514 2.055 20 0 DEADHO CC[C@H](C)[C@@H](N)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000237045210 402392909 /nfs/dbraw/zinc/39/29/09/402392909.db2.gz MUVWQUMPEHMTQO-DOTOQJQBSA-N 1 3 309.498 2.474 20 0 DEADHO CC[C@H](C)[C@@H](N)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000237045210 402392910 /nfs/dbraw/zinc/39/29/10/402392910.db2.gz MUVWQUMPEHMTQO-DOTOQJQBSA-N 1 3 309.498 2.474 20 0 DEADHO C[C@H](CC(=O)NCc1ccccc1CN(C)C)C1CC[NH2+]CC1 ZINC000163838503 402458384 /nfs/dbraw/zinc/45/83/84/402458384.db2.gz GGDSSLKQESBBJB-OAHLLOKOSA-N 1 3 317.477 2.390 20 0 DEADHO CCC[NH+]1CCC(N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000164495923 402463661 /nfs/dbraw/zinc/46/36/61/402463661.db2.gz YPILRXCZAQDIQC-OAHLLOKOSA-N 1 3 311.470 2.460 20 0 DEADHO C[C@H](C[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1)CN1CCCC1 ZINC000165336878 402475475 /nfs/dbraw/zinc/47/54/75/402475475.db2.gz CRRPIGNBEXJHAI-HUUCEWRRSA-N 1 3 314.437 2.045 20 0 DEADHO C[C@@H]([NH2+]C[C@H](C)CN1CCCC1)c1ccc(-n2cnnn2)cc1 ZINC000165336749 402475613 /nfs/dbraw/zinc/47/56/13/402475613.db2.gz CRRPIGNBEXJHAI-LSDHHAIUSA-N 1 3 314.437 2.045 20 0 DEADHO C[NH2+]C[C@@H](C)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000165897416 402480053 /nfs/dbraw/zinc/48/00/53/402480053.db2.gz UNCLEMSMNJENDE-NVXWUHKLSA-N 1 3 303.450 2.013 20 0 DEADHO C[NH2+]C[C@@H](C)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000165897220 402480063 /nfs/dbraw/zinc/48/00/63/402480063.db2.gz UNCLEMSMNJENDE-WBVHZDCISA-N 1 3 303.450 2.013 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H]([NH3+])C(C)C)N2CCCC2)cc1 ZINC000166322932 402483717 /nfs/dbraw/zinc/48/37/17/402483717.db2.gz OFZWODRRYHMMPL-DLBZAZTESA-N 1 3 303.450 2.231 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCN(c2ncccc2F)C1 ZINC000168164103 402495082 /nfs/dbraw/zinc/49/50/82/402495082.db2.gz DJIMMDOEBZNKQI-IXYNUQLISA-N 1 3 306.429 2.118 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCN(c2ncccc2F)C1 ZINC000168164103 402495083 /nfs/dbraw/zinc/49/50/83/402495083.db2.gz DJIMMDOEBZNKQI-IXYNUQLISA-N 1 3 306.429 2.118 20 0 DEADHO C[C@@H]1CCC[C@](CNC(=O)NC[C@H]2CCCN(C)C2)([NH+](C)C)C1 ZINC000247125914 402557348 /nfs/dbraw/zinc/55/73/48/402557348.db2.gz LPJARNRFWJQXPY-NUJGCVRESA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H]([NH3+])CCNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000178656211 402522098 /nfs/dbraw/zinc/52/20/98/402522098.db2.gz ZINGLLDFMPFYSP-HOTGVXAUSA-N 1 3 317.477 2.183 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246311584 402524680 /nfs/dbraw/zinc/52/46/80/402524680.db2.gz BWTZQXASAMLXHE-FPCVCCKLSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000246311584 402524683 /nfs/dbraw/zinc/52/46/83/402524683.db2.gz BWTZQXASAMLXHE-FPCVCCKLSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@H](C(=O)NC1CC[NH+](CC2CC2)CC1)[C@H](N)c1ccccc1 ZINC000178707618 402528412 /nfs/dbraw/zinc/52/84/12/402528412.db2.gz NSSULHKNKXVNDR-KSSFIOAISA-N 1 3 315.461 2.313 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000246427229 402530642 /nfs/dbraw/zinc/53/06/42/402530642.db2.gz SUDPLJJFYCSFBK-SJORKVTESA-N 1 3 324.513 2.425 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000246427229 402530643 /nfs/dbraw/zinc/53/06/43/402530643.db2.gz SUDPLJJFYCSFBK-SJORKVTESA-N 1 3 324.513 2.425 20 0 DEADHO C[C@@H](CNC(=O)NCCC[N@@H+]1CCCC[C@H]1C)N(C)C1CC1 ZINC000246533326 402535604 /nfs/dbraw/zinc/53/56/04/402535604.db2.gz WQOKJTIAHAUYNO-CABCVRRESA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H](CNC(=O)NCCC[N@H+]1CCCC[C@H]1C)N(C)C1CC1 ZINC000246533326 402535605 /nfs/dbraw/zinc/53/56/05/402535605.db2.gz WQOKJTIAHAUYNO-CABCVRRESA-N 1 3 310.486 2.033 20 0 DEADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000248061997 402581584 /nfs/dbraw/zinc/58/15/84/402581584.db2.gz LWPDFYOVHJXJQE-ILXRZTDVSA-N 1 3 311.470 2.316 20 0 DEADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000248061997 402581586 /nfs/dbraw/zinc/58/15/86/402581586.db2.gz LWPDFYOVHJXJQE-ILXRZTDVSA-N 1 3 311.470 2.316 20 0 DEADHO CN(C)CCNC(=O)C1CC[NH+](CC2CCCCCC2)CC1 ZINC000179674743 402597505 /nfs/dbraw/zinc/59/75/05/402597505.db2.gz SVCCKWUCEDQEPR-UHFFFAOYSA-N 1 3 309.498 2.347 20 0 DEADHO COC[C@@H](NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000249209306 402623429 /nfs/dbraw/zinc/62/34/29/402623429.db2.gz XIENAKSTPCGLBY-SOLBZPMBSA-N 1 3 312.498 2.386 20 0 DEADHO COC[C@@H](NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000249209306 402623430 /nfs/dbraw/zinc/62/34/30/402623430.db2.gz XIENAKSTPCGLBY-SOLBZPMBSA-N 1 3 312.498 2.386 20 0 DEADHO COC[C@@H]([NH2+]CCCN1C[C@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000249209306 402623432 /nfs/dbraw/zinc/62/34/32/402623432.db2.gz XIENAKSTPCGLBY-SOLBZPMBSA-N 1 3 312.498 2.386 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]CC2=CCCOC2)CC1 ZINC000342295512 404492524 /nfs/dbraw/zinc/49/25/24/404492524.db2.gz PTDGIMUJQNKBCM-UHFFFAOYSA-N 1 3 315.461 2.265 20 0 DEADHO CCO[C@@H]1C[C@H]([NH2+]CCCCN2CCN(CC)CC2)C12CCC2 ZINC000181493564 402647012 /nfs/dbraw/zinc/64/70/12/402647012.db2.gz XNLNPXAUGJBQIX-ZWKOTPCHSA-N 1 3 323.525 2.341 20 0 DEADHO Cc1c([C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cnn1C(C)C ZINC000191161512 402647085 /nfs/dbraw/zinc/64/70/85/402647085.db2.gz TZXBRYSSBRMPRW-HNNXBMFYSA-N 1 3 321.513 2.449 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cnn(C(C)C)c2C)CC1 ZINC000191174433 402647987 /nfs/dbraw/zinc/64/79/87/402647987.db2.gz ZWJZSXMMJHPDSD-CVEARBPZSA-N 1 3 321.513 2.449 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000252651850 402660045 /nfs/dbraw/zinc/66/00/45/402660045.db2.gz WIKTUZSEYVFGDG-HUUCEWRRSA-N 1 3 312.502 2.136 20 0 DEADHO CC[C@H](C)[C@@H]([NH3+])C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000182687723 402709079 /nfs/dbraw/zinc/70/90/79/402709079.db2.gz MBZPVIZBNUPOGE-GRDNDAEWSA-N 1 3 318.465 2.097 20 0 DEADHO C[NH2+]CCC1CCN([C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000261985392 402720731 /nfs/dbraw/zinc/72/07/31/402720731.db2.gz JPQUERUXKUWPOW-HRCADAONSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000262546819 402727331 /nfs/dbraw/zinc/72/73/31/402727331.db2.gz VNUNUVPNZXFMHY-CHWSQXEVSA-N 1 3 304.438 2.115 20 0 DEADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCCN(C2CCCC2)CC1 ZINC000263224771 402747827 /nfs/dbraw/zinc/74/78/27/402747827.db2.gz MQFLSAULCGJRBK-AEFFLSMTSA-N 1 3 307.482 2.371 20 0 DEADHO CN(CCNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000263233726 402748311 /nfs/dbraw/zinc/74/83/11/402748311.db2.gz CZHBKAWCIWCPQK-AYHJJNSGSA-N 1 3 315.461 2.155 20 0 DEADHO CCC1(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCC1 ZINC000175911811 402841950 /nfs/dbraw/zinc/84/19/50/402841950.db2.gz ZSDYQCJTNZOASG-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000175565849 402818073 /nfs/dbraw/zinc/81/80/73/402818073.db2.gz UVAKUMJCJIPQOM-JKSUJKDBSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)N(C)C1CC1 ZINC000264184335 402855424 /nfs/dbraw/zinc/85/54/24/402855424.db2.gz MHZACZBTRVXJKB-OAHLLOKOSA-N 1 3 315.461 2.495 20 0 DEADHO Cc1ccncc1[C@H](C)[NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000271459350 402873186 /nfs/dbraw/zinc/87/31/86/402873186.db2.gz FZENFPRFTZHYRR-QGTPRVQTSA-N 1 3 303.450 2.418 20 0 DEADHO C[C@@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)[C@H](C)CN1 ZINC000272558995 402952797 /nfs/dbraw/zinc/95/27/97/402952797.db2.gz NKIDWTZKGIOTOH-HZPDHXFCSA-N 1 3 315.461 2.107 20 0 DEADHO CC(C)C(=O)NCC[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272566017 402953993 /nfs/dbraw/zinc/95/39/93/402953993.db2.gz HICCITOHQJTWKK-SJLPKXTDSA-N 1 3 317.477 2.259 20 0 DEADHO CC(C)C(=O)NCCN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272566017 402953995 /nfs/dbraw/zinc/95/39/95/402953995.db2.gz HICCITOHQJTWKK-SJLPKXTDSA-N 1 3 317.477 2.259 20 0 DEADHO CC(C)C(=O)NCCN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272566017 402953997 /nfs/dbraw/zinc/95/39/97/402953997.db2.gz HICCITOHQJTWKK-SJLPKXTDSA-N 1 3 317.477 2.259 20 0 DEADHO C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000279194090 402914582 /nfs/dbraw/zinc/91/45/82/402914582.db2.gz FHUBKVZTPQHFJM-HYVNUMGLSA-N 1 3 303.450 2.184 20 0 DEADHO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CCCCN(C)C)cc1 ZINC000273593448 403018070 /nfs/dbraw/zinc/01/80/70/403018070.db2.gz PXXFBVLYSUGKOT-OAHLLOKOSA-N 1 3 312.479 2.089 20 0 DEADHO C[C@H]1CC[NH2+]C[C@H]1NCCCOCCOCc1ccccc1 ZINC000423042019 533675824 /nfs/dbraw/zinc/67/58/24/533675824.db2.gz KFCLUFPYUBDMJY-FUHWJXTLSA-N 1 3 306.450 2.198 20 0 DEADHO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@@H](C)CCN(C)C ZINC000273126887 402974219 /nfs/dbraw/zinc/97/42/19/402974219.db2.gz ARXVKWVAAUCMHD-UONOGXRCSA-N 1 3 308.422 2.229 20 0 DEADHO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H](C)CCN(C)C ZINC000273126884 402974382 /nfs/dbraw/zinc/97/43/82/402974382.db2.gz ARXVKWVAAUCMHD-KGLIPLIRSA-N 1 3 308.422 2.229 20 0 DEADHO Cc1ccncc1CNCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000280308336 402986200 /nfs/dbraw/zinc/98/62/00/402986200.db2.gz OMUHCNFWRATRQG-LJQANCHMSA-N 1 3 311.429 2.246 20 0 DEADHO Cc1ccncc1CNCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000280308336 402986202 /nfs/dbraw/zinc/98/62/02/402986202.db2.gz OMUHCNFWRATRQG-LJQANCHMSA-N 1 3 311.429 2.246 20 0 DEADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280889755 403047578 /nfs/dbraw/zinc/04/75/78/403047578.db2.gz QAHSAYFJBYXKRT-CRAIPNDOSA-N 1 3 301.434 2.385 20 0 DEADHO CN(CCN(C)C1CC1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000274544425 403065757 /nfs/dbraw/zinc/06/57/57/403065757.db2.gz FZQSCMGNQVMSKX-UHFFFAOYSA-N 1 3 315.461 2.449 20 0 DEADHO CN1CCC(O)(C[NH2+]Cc2cc(Cl)cc3cccnc32)CC1 ZINC000268625977 403100533 /nfs/dbraw/zinc/10/05/33/403100533.db2.gz CRNCNDMVBIMRFF-UHFFFAOYSA-N 1 3 319.836 2.435 20 0 DEADHO CN(C)CCN1CCC([NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000268767146 403112012 /nfs/dbraw/zinc/11/20/12/403112012.db2.gz OAFFGNJQFJJJCA-SFHVURJKSA-N 1 3 305.441 2.429 20 0 DEADHO COCC[N@H+](C)CCCN[C@@H](C)c1ccc(OC)c(COC)c1 ZINC000268788928 403114173 /nfs/dbraw/zinc/11/41/73/403114173.db2.gz CLBNWVVFZSPNDZ-HNNXBMFYSA-N 1 3 324.465 2.461 20 0 DEADHO COCC[N@@H+](C)CCCN[C@@H](C)c1ccc(OC)c(COC)c1 ZINC000268788928 403114175 /nfs/dbraw/zinc/11/41/75/403114175.db2.gz CLBNWVVFZSPNDZ-HNNXBMFYSA-N 1 3 324.465 2.461 20 0 DEADHO Cc1cccc(OC[C@H](O)CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000268802276 403114987 /nfs/dbraw/zinc/11/49/87/403114987.db2.gz BLIYLCBDDWHENU-LISAXSMJSA-N 1 3 306.450 2.053 20 0 DEADHO Cc1cccc(OC[C@H](O)CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000268802276 403114989 /nfs/dbraw/zinc/11/49/89/403114989.db2.gz BLIYLCBDDWHENU-LISAXSMJSA-N 1 3 306.450 2.053 20 0 DEADHO CC[N@@H+]1CC[C@H](NCCNC(=O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000268806838 403116293 /nfs/dbraw/zinc/11/62/93/403116293.db2.gz HUEVGKYMWFSUKQ-BBRMVZONSA-N 1 3 323.868 2.390 20 0 DEADHO CC[N@H+]1CC[C@H](NCCNC(=O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000268806838 403116295 /nfs/dbraw/zinc/11/62/95/403116295.db2.gz HUEVGKYMWFSUKQ-BBRMVZONSA-N 1 3 323.868 2.390 20 0 DEADHO COCC[C@@H](C)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000269113230 403123562 /nfs/dbraw/zinc/12/35/62/403123562.db2.gz WCQVBQYZCKANCV-OAHLLOKOSA-N 1 3 306.450 2.158 20 0 DEADHO COc1ccsc1[C@@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282371781 403147394 /nfs/dbraw/zinc/14/73/94/403147394.db2.gz QIIOTSNCTPNOCS-CYBMUJFWSA-N 1 3 311.495 2.433 20 0 DEADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(OC(F)F)cc1 ZINC000298290260 403351119 /nfs/dbraw/zinc/35/11/19/403351119.db2.gz CSWVYFATGBBNDW-TZMCWYRMSA-N 1 3 314.376 2.395 20 0 DEADHO C[C@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)N(C)C ZINC000298342279 403361332 /nfs/dbraw/zinc/36/13/32/403361332.db2.gz JDCVGCNZIOUNHS-OAHLLOKOSA-N 1 3 303.450 2.352 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NCC[N@H+](C)C2CCCCC2)CCCN1C ZINC000345369795 403304793 /nfs/dbraw/zinc/30/47/93/403304793.db2.gz YXVCKEDDWUEKMP-ZBFHGGJFSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NCC[N@@H+](C)C2CCCCC2)CCCN1C ZINC000345369795 403304795 /nfs/dbraw/zinc/30/47/95/403304795.db2.gz YXVCKEDDWUEKMP-ZBFHGGJFSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000345416075 403325467 /nfs/dbraw/zinc/32/54/67/403325467.db2.gz SPYNVILHIWYCNG-BZUAXINKSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000345416075 403325470 /nfs/dbraw/zinc/32/54/70/403325470.db2.gz SPYNVILHIWYCNG-BZUAXINKSA-N 1 3 310.486 2.033 20 0 DEADHO Cn1cnc2cc(CN3CCC(OCC[NH+](C)C)CC3)ccc21 ZINC000342918092 403396457 /nfs/dbraw/zinc/39/64/57/403396457.db2.gz PEFRONRVVLHBBN-UHFFFAOYSA-N 1 3 316.449 2.116 20 0 DEADHO C[C@H](C[NH3+])C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000285862888 403398271 /nfs/dbraw/zinc/39/82/71/403398271.db2.gz ZDBOYQYAHRGEFR-VYDXJSESSA-N 1 3 303.450 2.093 20 0 DEADHO CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000298569922 403415771 /nfs/dbraw/zinc/41/57/71/403415771.db2.gz ONEGSJBVTPJWBW-KRWDZBQOSA-N 1 3 318.465 2.073 20 0 DEADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H](N)CC(F)F ZINC000345687206 403436210 /nfs/dbraw/zinc/43/62/10/403436210.db2.gz GZCQDNKKTZUHGO-CQSZACIVSA-N 1 3 313.392 2.126 20 0 DEADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](N)CC(F)F ZINC000345687206 403436212 /nfs/dbraw/zinc/43/62/12/403436212.db2.gz GZCQDNKKTZUHGO-CQSZACIVSA-N 1 3 313.392 2.126 20 0 DEADHO C[C@H]1[C@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)CCCN1C ZINC000345792396 403486574 /nfs/dbraw/zinc/48/65/74/403486574.db2.gz UQTKGWKBQZZBQJ-DOTOQJQBSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)N1CCCN(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000345841167 403505946 /nfs/dbraw/zinc/50/59/46/403505946.db2.gz SZSNQNXSCXBOQE-QGZVFWFLSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H](NCc1ccncc1OCCC[NH+](C)C)[C@@]1(C)CCCO1 ZINC000340402416 403604740 /nfs/dbraw/zinc/60/47/40/403604740.db2.gz PQFFXXIUDFNQKA-MAUKXSAKSA-N 1 3 321.465 2.459 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000346653255 403597451 /nfs/dbraw/zinc/59/74/51/403597451.db2.gz PCKVDRUOOOFRJO-BBWFWOEESA-N 1 3 307.482 2.336 20 0 DEADHO O[C@@H]1C[NH2+]C[C@H]1CNCCCCc1cccc(C(F)(F)F)c1 ZINC000345992332 403562163 /nfs/dbraw/zinc/56/21/63/403562163.db2.gz BPHODWOIVKYJJJ-UKRRQHHQSA-N 1 3 316.367 2.198 20 0 DEADHO C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(-n2ccnn2)c1 ZINC000287265318 403563102 /nfs/dbraw/zinc/56/31/02/403563102.db2.gz APHJQPPMFWOBDJ-GJZGRUSLSA-N 1 3 311.433 2.402 20 0 DEADHO C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(-n2ccnn2)c1 ZINC000287265318 403563106 /nfs/dbraw/zinc/56/31/06/403563106.db2.gz APHJQPPMFWOBDJ-GJZGRUSLSA-N 1 3 311.433 2.402 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N2CCN([C@H]3C[C@H]3C)C[C@H](C)C2)CC1 ZINC000346193292 403578537 /nfs/dbraw/zinc/57/85/37/403578537.db2.gz PGJSQGYZXMRGRX-JZXOWHBKSA-N 1 3 321.509 2.296 20 0 DEADHO CCN1CC[C@H]([NH2+]Cc2cccc(C(=O)N(C)C)c2)[C@@H](C)C1 ZINC000347215527 403624904 /nfs/dbraw/zinc/62/49/04/403624904.db2.gz YGPSAMHDMDOSNI-YOEHRIQHSA-N 1 3 303.450 2.208 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NC(C)(C)CC)CC2)CC1 ZINC000567058711 292285827 /nfs/dbraw/zinc/28/58/27/292285827.db2.gz BOGXGTCQKKEHDO-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)[C@]1(C)CCCO1 ZINC000340518792 403634804 /nfs/dbraw/zinc/63/48/04/403634804.db2.gz WULKBFXKOICHMN-SNRMKQJTSA-N 1 3 318.461 2.300 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCC1=CCN(C)CC1 ZINC000343685911 403691598 /nfs/dbraw/zinc/69/15/98/403691598.db2.gz CRXMMLXEGRQIRB-QGZVFWFLSA-N 1 3 322.497 2.202 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCC1=CCN(C)CC1 ZINC000343685911 403691601 /nfs/dbraw/zinc/69/16/01/403691601.db2.gz CRXMMLXEGRQIRB-QGZVFWFLSA-N 1 3 322.497 2.202 20 0 DEADHO CC(=O)NC1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1 ZINC000333315463 403722941 /nfs/dbraw/zinc/72/29/41/403722941.db2.gz SRCREAMLHNEZBN-NHHFINERSA-N 1 3 307.482 2.334 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CCN1C ZINC000340989845 403725436 /nfs/dbraw/zinc/72/54/36/403725436.db2.gz SNSMIVMRGWRAKE-BRWVUGGUSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CCN1C ZINC000340989845 403725439 /nfs/dbraw/zinc/72/54/39/403725439.db2.gz SNSMIVMRGWRAKE-BRWVUGGUSA-N 1 3 324.513 2.423 20 0 DEADHO CCC[NH+]1CCC(CNC(=O)c2ccc3c(c2)CNC3)CC1 ZINC000347500172 403731648 /nfs/dbraw/zinc/73/16/48/403731648.db2.gz GZNRKBUNXRSMOS-UHFFFAOYSA-N 1 3 301.434 2.142 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000341045788 403749069 /nfs/dbraw/zinc/74/90/69/403749069.db2.gz IEEXVPLHNOKJKG-GDBMZVCRSA-N 1 3 310.486 2.033 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000303518371 403755221 /nfs/dbraw/zinc/75/52/21/403755221.db2.gz YMYBCYXCCIEHBL-DLBZAZTESA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000343957774 403809000 /nfs/dbraw/zinc/80/90/00/403809000.db2.gz FUJVNLOSMHEBOA-QEOTZNIISA-N 1 3 324.513 2.135 20 0 DEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000343957774 403809007 /nfs/dbraw/zinc/80/90/07/403809007.db2.gz FUJVNLOSMHEBOA-QEOTZNIISA-N 1 3 324.513 2.135 20 0 DEADHO Cc1cccc(C)c1OC[C@H](O)CN1CCC(C[NH+](C)C)CC1 ZINC000341181847 403809565 /nfs/dbraw/zinc/80/95/65/403809565.db2.gz FVSBKIQTFKHUIF-GOSISDBHSA-N 1 3 320.477 2.317 20 0 DEADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccc2c(c1)CNC2 ZINC000347674638 403801165 /nfs/dbraw/zinc/80/11/65/403801165.db2.gz NIWCQXAPDFJIGQ-KRWDZBQOSA-N 1 3 301.434 2.236 20 0 DEADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccc2c(c1)CNC2 ZINC000347674638 403801170 /nfs/dbraw/zinc/80/11/70/403801170.db2.gz NIWCQXAPDFJIGQ-KRWDZBQOSA-N 1 3 301.434 2.236 20 0 DEADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000341242826 403860949 /nfs/dbraw/zinc/86/09/49/403860949.db2.gz WPGNGRHQPFRADR-GOEBONIOSA-N 1 3 322.497 2.033 20 0 DEADHO COc1ccc(F)cc1CN(C)CCCN(C)CC[NH+](C)C ZINC000344035411 403863308 /nfs/dbraw/zinc/86/33/08/403863308.db2.gz SFBIZUPBRRFXFH-UHFFFAOYSA-N 1 3 311.445 2.150 20 0 DEADHO [NH3+]C1(CNC(=O)N2CCC[C@H]2CN2CCCCC2)CCCCC1 ZINC000333806746 403868061 /nfs/dbraw/zinc/86/80/61/403868061.db2.gz IPYLNVFGDQACPN-INIZCTEOSA-N 1 3 322.497 2.308 20 0 DEADHO [NH3+]C1(CNC(=O)N2CCC[C@@H]2CN2CCCCC2)CCCCC1 ZINC000333806747 403868675 /nfs/dbraw/zinc/86/86/75/403868675.db2.gz IPYLNVFGDQACPN-MRXNPFEDSA-N 1 3 322.497 2.308 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000344072058 403889881 /nfs/dbraw/zinc/88/98/81/403889881.db2.gz ZIBAQBZUTNKSKJ-QGZVFWFLSA-N 1 3 321.465 2.434 20 0 DEADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000344072058 403889882 /nfs/dbraw/zinc/88/98/82/403889882.db2.gz ZIBAQBZUTNKSKJ-QGZVFWFLSA-N 1 3 321.465 2.434 20 0 DEADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000344072058 403889887 /nfs/dbraw/zinc/88/98/87/403889887.db2.gz ZIBAQBZUTNKSKJ-QGZVFWFLSA-N 1 3 321.465 2.434 20 0 DEADHO CCC[C@](C)(N)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309902098 403964147 /nfs/dbraw/zinc/96/41/47/403964147.db2.gz PEQXAMLZKJEDTM-WMZOPIPTSA-N 1 3 303.450 2.142 20 0 DEADHO CCC[C@](C)(N)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309902098 403964154 /nfs/dbraw/zinc/96/41/54/403964154.db2.gz PEQXAMLZKJEDTM-WMZOPIPTSA-N 1 3 303.450 2.142 20 0 DEADHO CCO[C@H]1C[C@@H]([NH2+]CC2(O)CCN(C)CC2)C12CCCCC2 ZINC000344095119 403905690 /nfs/dbraw/zinc/90/56/90/403905690.db2.gz HGZSJWNNSHKBRW-CVEARBPZSA-N 1 3 310.482 2.161 20 0 DEADHO CCO[C@@H]1C[C@@H](NC[C@H](O)C[NH+]2CCC(C)CC2)C12CCC2 ZINC000344109587 403915374 /nfs/dbraw/zinc/91/53/74/403915374.db2.gz SSMAPOIHPVHHHF-GVDBMIGSSA-N 1 3 310.482 2.017 20 0 DEADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H](C)CCN2)CC1 ZINC000336859397 403930676 /nfs/dbraw/zinc/93/06/76/403930676.db2.gz HEVPBCXVSGVDRJ-WBVHZDCISA-N 1 3 309.498 2.345 20 0 DEADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H](C)CCN2)CC1 ZINC000336859397 403930682 /nfs/dbraw/zinc/93/06/82/403930682.db2.gz HEVPBCXVSGVDRJ-WBVHZDCISA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1cnn(C)c1 ZINC000305770978 403935866 /nfs/dbraw/zinc/93/58/66/403935866.db2.gz QAQRUHMWJDMNRH-RCCFBDPRSA-N 1 3 320.481 2.229 20 0 DEADHO CC[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1cnn(C)c1 ZINC000305770977 403936066 /nfs/dbraw/zinc/93/60/66/403936066.db2.gz QAQRUHMWJDMNRH-OKZBNKHCSA-N 1 3 320.481 2.229 20 0 DEADHO C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccc(OCc3nccn3C)cc2)C1 ZINC000351858504 403967190 /nfs/dbraw/zinc/96/71/90/403967190.db2.gz DOBKILSZXJHWHD-GDBMZVCRSA-N 1 3 314.433 2.168 20 0 DEADHO Cc1nn(C(C)C)cc1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000341401058 403951320 /nfs/dbraw/zinc/95/13/20/403951320.db2.gz KTUGPNGPDAGBAO-UHFFFAOYSA-N 1 3 308.470 2.097 20 0 DEADHO CCOC1CC(CN2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000351844892 403955883 /nfs/dbraw/zinc/95/58/83/403955883.db2.gz OITHALHUTKZYGN-LPOKXYRGSA-N 1 3 323.525 2.292 20 0 DEADHO CCOC1CC(CN2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000351844892 403955893 /nfs/dbraw/zinc/95/58/93/403955893.db2.gz OITHALHUTKZYGN-LPOKXYRGSA-N 1 3 323.525 2.292 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000337369089 403982791 /nfs/dbraw/zinc/98/27/91/403982791.db2.gz NTUNSIULXHTFEU-HNNXBMFYSA-N 1 3 310.486 2.033 20 0 DEADHO O[C@H](C[NH2+]Cc1cc2ccc(F)cc2[nH]1)CN1CCCCC1 ZINC000362917954 404003341 /nfs/dbraw/zinc/00/33/41/404003341.db2.gz MCDAADSXHUMUOM-MRXNPFEDSA-N 1 3 305.397 2.243 20 0 DEADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000289895699 404008080 /nfs/dbraw/zinc/00/80/80/404008080.db2.gz MRCJSXNCDHSQCL-ZMSDIMECSA-N 1 3 303.450 2.011 20 0 DEADHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1cn[nH]c1 ZINC000296081107 404084334 /nfs/dbraw/zinc/08/43/34/404084334.db2.gz SPDZMCXZEGHIBL-OAHLLOKOSA-N 1 3 313.449 2.008 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)C(C)C ZINC000341659073 404094718 /nfs/dbraw/zinc/09/47/18/404094718.db2.gz ZXEPTRRZKOAQQN-DOTOQJQBSA-N 1 3 324.513 2.277 20 0 DEADHO CCN(C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)C1CCCCC1 ZINC000320713589 404069266 /nfs/dbraw/zinc/06/92/66/404069266.db2.gz PYTPBCOUBQDAEI-IYBDPMFKSA-N 1 3 307.482 2.099 20 0 DEADHO CCOC1CC(NCc2ccncc2OCCC[NH+](C)C)C1 ZINC000290387948 404149810 /nfs/dbraw/zinc/14/98/10/404149810.db2.gz SCKHHNYNKSMRHD-UHFFFAOYSA-N 1 3 307.438 2.069 20 0 DEADHO CCN(CCC[NH+](C)C)C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000344515729 404197385 /nfs/dbraw/zinc/19/73/85/404197385.db2.gz ALWYRORNQPQOIQ-HOTGVXAUSA-N 1 3 312.502 2.233 20 0 DEADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)CC[NH3+])cc1 ZINC000296534678 404294390 /nfs/dbraw/zinc/29/43/90/404294390.db2.gz STLJEZITWYWGAZ-UHFFFAOYSA-N 1 3 311.429 2.380 20 0 DEADHO C[C@H]1[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CCCN1C ZINC000338542448 404392461 /nfs/dbraw/zinc/39/24/61/404392461.db2.gz OWZAZKOLGGMLKL-MAUKXSAKSA-N 1 3 315.461 2.495 20 0 DEADHO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000350951511 404496678 /nfs/dbraw/zinc/49/66/78/404496678.db2.gz PERRIYKVZPGDDD-NVXWUHKLSA-N 1 3 309.498 2.440 20 0 DEADHO COc1cc2c(c(CNCC3=CC[N@H+](C)CC3)c1)O[C@H](C)C2 ZINC000345168010 404589659 /nfs/dbraw/zinc/58/96/59/404589659.db2.gz OSOYJGGSHFUPSV-CYBMUJFWSA-N 1 3 302.418 2.370 20 0 DEADHO COc1cc2c(c(CNCC3=CC[N@@H+](C)CC3)c1)O[C@H](C)C2 ZINC000345168010 404589662 /nfs/dbraw/zinc/58/96/62/404589662.db2.gz OSOYJGGSHFUPSV-CYBMUJFWSA-N 1 3 302.418 2.370 20 0 DEADHO C[C@@H](CC(C)(C)C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414187011 404541483 /nfs/dbraw/zinc/54/14/83/404541483.db2.gz HVCHBDWMZYAHLG-INIZCTEOSA-N 1 3 311.514 2.197 20 0 DEADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000338817354 404563014 /nfs/dbraw/zinc/56/30/14/404563014.db2.gz VWOOXWYQYAHWNV-HUUCEWRRSA-N 1 3 307.482 2.240 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000356530576 404575756 /nfs/dbraw/zinc/57/57/56/404575756.db2.gz QQLIFDJUMUMIRG-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000356530576 404575763 /nfs/dbraw/zinc/57/57/63/404575763.db2.gz QQLIFDJUMUMIRG-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO COCC[NH+]1CCC(N[C@H](c2cnn(C)c2)C(C)(C)C)CC1 ZINC000342547461 404645229 /nfs/dbraw/zinc/64/52/29/404645229.db2.gz SWMHSZQFVDLKCG-MRXNPFEDSA-N 1 3 308.470 2.208 20 0 DEADHO O=C(CC[C@@H]1CCC[NH2+]1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000292067016 404654332 /nfs/dbraw/zinc/65/43/32/404654332.db2.gz KSXUEDCRDSGFIA-ROUUACIJSA-N 1 3 315.461 2.299 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CC=CC[C@H]1C ZINC000342570367 404656082 /nfs/dbraw/zinc/65/60/82/404656082.db2.gz AZFWDFWHBKPYAF-KURKYZTESA-N 1 3 321.509 2.463 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CC=CC[C@H]1C ZINC000342570367 404656087 /nfs/dbraw/zinc/65/60/87/404656087.db2.gz AZFWDFWHBKPYAF-KURKYZTESA-N 1 3 321.509 2.463 20 0 DEADHO CN1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000351597634 404663848 /nfs/dbraw/zinc/66/38/48/404663848.db2.gz QSMWTGSGRLHWRG-CVEARBPZSA-N 1 3 317.481 2.278 20 0 DEADHO CN1CCCC[C@H]1CC[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000351597634 404663851 /nfs/dbraw/zinc/66/38/51/404663851.db2.gz QSMWTGSGRLHWRG-CVEARBPZSA-N 1 3 317.481 2.278 20 0 DEADHO CC[C@@H](C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000374159899 404700400 /nfs/dbraw/zinc/70/04/00/404700400.db2.gz GUHYDPIAFDDJAE-HKUYNNGSSA-N 1 3 317.477 2.355 20 0 DEADHO CC[C@@H](C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000374159899 404700402 /nfs/dbraw/zinc/70/04/02/404700402.db2.gz GUHYDPIAFDDJAE-HKUYNNGSSA-N 1 3 317.477 2.355 20 0 DEADHO Cc1cc(Br)cn2c(C[NH2+][C@@H](CN)C3CC3)cnc12 ZINC000414794877 404738049 /nfs/dbraw/zinc/73/80/49/404738049.db2.gz GBAJZUGSYIEATQ-ZDUSSCGKSA-N 1 3 323.238 2.232 20 0 DEADHO CCC([NH3+])(CC)CN[C@@H](C)CCN1C(=O)c2ccccc2C1=O ZINC000414806148 404739303 /nfs/dbraw/zinc/73/93/03/404739303.db2.gz HGWHAXYEQSUGJC-ZDUSSCGKSA-N 1 3 317.433 2.168 20 0 DEADHO CC(C)([NH3+])CNC1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000414808461 404740578 /nfs/dbraw/zinc/74/05/78/404740578.db2.gz SYRFHLNQVSJOSA-UHFFFAOYSA-N 1 3 309.841 2.272 20 0 DEADHO CN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CCN(C)CC1 ZINC000365907426 404743120 /nfs/dbraw/zinc/74/31/20/404743120.db2.gz KDWBEFLOOJETEL-HNNXBMFYSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CCN(C)CC1 ZINC000365907426 404743123 /nfs/dbraw/zinc/74/31/23/404743123.db2.gz KDWBEFLOOJETEL-HNNXBMFYSA-N 1 3 307.482 2.194 20 0 DEADHO CC[C@@H](C)N[C@@H](CNC(=O)NCC[N@H+](C)C1CC1)c1ccco1 ZINC000353111017 404744291 /nfs/dbraw/zinc/74/42/91/404744291.db2.gz JEYWMPZVSZMWCE-HIFRSBDPSA-N 1 3 322.453 2.102 20 0 DEADHO CC[C@@H](C)N[C@@H](CNC(=O)NCC[N@@H+](C)C1CC1)c1ccco1 ZINC000353111017 404744292 /nfs/dbraw/zinc/74/42/92/404744292.db2.gz JEYWMPZVSZMWCE-HIFRSBDPSA-N 1 3 322.453 2.102 20 0 DEADHO Fc1cc(-c2ccccc2)ccc1CNCCN1CC[NH2+]CC1 ZINC000414867426 404752335 /nfs/dbraw/zinc/75/23/35/404752335.db2.gz OEEMKXFJTAXQDY-UHFFFAOYSA-N 1 3 313.420 2.488 20 0 DEADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccccc1CN(C)C ZINC000366081208 404753278 /nfs/dbraw/zinc/75/32/78/404753278.db2.gz AWAPPZXYGXQLSI-RDJZCZTQSA-N 1 3 315.461 2.447 20 0 DEADHO COc1cc(CNC[C@@H](C)C[NH3+])ccc1OCC(F)(F)F ZINC000414882278 404757234 /nfs/dbraw/zinc/75/72/34/404757234.db2.gz TUWGBZWRYOWGFZ-JTQLQIEISA-N 1 3 306.328 2.321 20 0 DEADHO COc1cc(CNC[C@H](C)C[NH3+])ccc1OCC(F)(F)F ZINC000414882279 404757274 /nfs/dbraw/zinc/75/72/74/404757274.db2.gz TUWGBZWRYOWGFZ-SNVBAGLBSA-N 1 3 306.328 2.321 20 0 DEADHO COc1cc(CNC[C@H](C)C[NH3+])ccc1OCc1ccncc1 ZINC000414884250 404758201 /nfs/dbraw/zinc/75/82/01/404758201.db2.gz VYLZWJGSRWHBQY-CQSZACIVSA-N 1 3 315.417 2.354 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCC12CCN(C)CC2 ZINC000358314989 404760097 /nfs/dbraw/zinc/76/00/97/404760097.db2.gz PSIGSEVEKAAELX-MRXNPFEDSA-N 1 3 322.497 2.131 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCCC12CCN(C)CC2 ZINC000358314989 404760101 /nfs/dbraw/zinc/76/01/01/404760101.db2.gz PSIGSEVEKAAELX-MRXNPFEDSA-N 1 3 322.497 2.131 20 0 DEADHO C[C@@H](CC(=O)NCCc1ccccc1)NC[C@]1(C)CCC[NH2+]C1 ZINC000414918737 404766696 /nfs/dbraw/zinc/76/66/96/404766696.db2.gz VBVGWYJAJFPMJH-QFBILLFUSA-N 1 3 317.477 2.103 20 0 DEADHO C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414918737 404766699 /nfs/dbraw/zinc/76/66/99/404766699.db2.gz VBVGWYJAJFPMJH-QFBILLFUSA-N 1 3 317.477 2.103 20 0 DEADHO C[C@@H]1CN(CC2CCN(CC[NH2+]C(C)(C)C)CC2)C[C@H](C)O1 ZINC000414698022 404711070 /nfs/dbraw/zinc/71/10/70/404711070.db2.gz XCAOYNJAVTXMTN-IYBDPMFKSA-N 1 3 311.514 2.196 20 0 DEADHO CC[N@H+](CCC1CCN(C(=O)[C@H]2CCCN2C)CC1)CC1CC1 ZINC000356889612 404717586 /nfs/dbraw/zinc/71/75/86/404717586.db2.gz FMLPBVAIMBUNNT-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+](CCC1CCN(C(=O)[C@H]2CCCN2C)CC1)CC1CC1 ZINC000356889612 404717587 /nfs/dbraw/zinc/71/75/87/404717587.db2.gz FMLPBVAIMBUNNT-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CCN(CCC[NH3+])CCOc1ccc(Br)cc1 ZINC000414733768 404719638 /nfs/dbraw/zinc/71/96/38/404719638.db2.gz CXEADAFXLRTKBT-UHFFFAOYSA-N 1 3 301.228 2.499 20 0 DEADHO COC[C@]1(C[NH2+][C@@H](C)CCc2ccc(OC)cc2)CCCN1 ZINC000414954705 404775566 /nfs/dbraw/zinc/77/55/66/404775566.db2.gz LWVMFHKWIUFEJX-MAUKXSAKSA-N 1 3 306.450 2.375 20 0 DEADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000358850301 404778267 /nfs/dbraw/zinc/77/82/67/404778267.db2.gz DPBSCWLOKXEKQF-SJORKVTESA-N 1 3 321.440 2.201 20 0 DEADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000358850301 404778271 /nfs/dbraw/zinc/77/82/71/404778271.db2.gz DPBSCWLOKXEKQF-SJORKVTESA-N 1 3 321.440 2.201 20 0 DEADHO Cc1nn(C)c(CNC[C@@H]2CCC[C@@H]([NH3+])C2)c1Br ZINC000414991975 404783193 /nfs/dbraw/zinc/78/31/93/404783193.db2.gz BKBSAWNVOMVDPE-GHMZBOCLSA-N 1 3 315.259 2.098 20 0 DEADHO Cc1ccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1F ZINC000414995864 404784108 /nfs/dbraw/zinc/78/41/08/404784108.db2.gz WNASOWMEDSISJK-AWEZNQCLSA-N 1 3 319.346 2.060 20 0 DEADHO Cc1nn(C)c(CN[C@H](C)CCCC[NH3+])c1Br ZINC000415019440 404789368 /nfs/dbraw/zinc/78/93/68/404789368.db2.gz VXNIMUQBSXTICZ-SECBINFHSA-N 1 3 303.248 2.098 20 0 DEADHO [NH3+]C[C@@H]1CC[C@@H](NCc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000415046844 404795448 /nfs/dbraw/zinc/79/54/48/404795448.db2.gz VKBGZWGXHOFTRU-MWLCHTKSSA-N 1 3 314.332 2.234 20 0 DEADHO COC(=O)c1ccc(CN[C@@H](CCC[NH3+])c2ccccc2)[nH]1 ZINC000415057241 404797752 /nfs/dbraw/zinc/79/77/52/404797752.db2.gz RLWPLSNIFAXFIA-HNNXBMFYSA-N 1 3 301.390 2.371 20 0 DEADHO C[C@H]1CN(C2CCOCC2)CCN1CCC[NH+]1CCCCC1 ZINC000376080302 404799384 /nfs/dbraw/zinc/79/93/84/404799384.db2.gz ISTAAYJWTYOVOX-KRWDZBQOSA-N 1 3 309.498 2.048 20 0 DEADHO C[C@H](CC(=O)NCCc1ccccc1)N[C@H](C[NH3+])C1CCCC1 ZINC000415073496 404801271 /nfs/dbraw/zinc/80/12/71/404801271.db2.gz ZIXWBGPCCRIHIS-CRAIPNDOSA-N 1 3 317.477 2.231 20 0 DEADHO Cc1nc(CN2CCC(C[NH2+]CCNC(C)(C)C)CC2)oc1C ZINC000415081888 404803355 /nfs/dbraw/zinc/80/33/55/404803355.db2.gz COPKTZUQAAYYRR-UHFFFAOYSA-N 1 3 322.497 2.481 20 0 DEADHO Cc1nc(CN2CCC(CNCC[NH2+]C(C)(C)C)CC2)oc1C ZINC000415081888 404803358 /nfs/dbraw/zinc/80/33/58/404803358.db2.gz COPKTZUQAAYYRR-UHFFFAOYSA-N 1 3 322.497 2.481 20 0 DEADHO Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000415093925 404805545 /nfs/dbraw/zinc/80/55/45/404805545.db2.gz CVVHTMWNHHGCNH-HRCADAONSA-N 1 3 324.490 2.135 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000359917039 404808925 /nfs/dbraw/zinc/80/89/25/404808925.db2.gz LDSWWWZJIJKEHL-JYJNAYRXSA-N 1 3 312.502 2.088 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000359917039 404808929 /nfs/dbraw/zinc/80/89/29/404808929.db2.gz LDSWWWZJIJKEHL-JYJNAYRXSA-N 1 3 312.502 2.088 20 0 DEADHO COCCOc1cccc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)c1 ZINC000366533920 404810196 /nfs/dbraw/zinc/81/01/96/404810196.db2.gz JASQFDHZJHLZEW-SFHVURJKSA-N 1 3 304.434 2.239 20 0 DEADHO COCCOc1cccc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)c1 ZINC000366533920 404810199 /nfs/dbraw/zinc/81/01/99/404810199.db2.gz JASQFDHZJHLZEW-SFHVURJKSA-N 1 3 304.434 2.239 20 0 DEADHO CC[C@](CN[C@H]1CCC[NH2+]CC1)(C(=O)OC)c1ccccc1 ZINC000415132148 404815023 /nfs/dbraw/zinc/81/50/23/404815023.db2.gz AIHDUKFQOGMAID-FUHWJXTLSA-N 1 3 304.434 2.239 20 0 DEADHO CNCc1ccccc1NC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000353226876 404774920 /nfs/dbraw/zinc/77/49/20/404774920.db2.gz RNWQOSYJRYJURT-UHFFFAOYSA-N 1 3 309.413 2.347 20 0 DEADHO C[N@@H+]1CCCC[C@H]1CCN1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000451214446 404904679 /nfs/dbraw/zinc/90/46/79/404904679.db2.gz WNWBLKCLUWISTR-HOTGVXAUSA-N 1 3 309.498 2.474 20 0 DEADHO C[N@H+]1CCCC[C@H]1CCN1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000451214446 404904685 /nfs/dbraw/zinc/90/46/85/404904685.db2.gz WNWBLKCLUWISTR-HOTGVXAUSA-N 1 3 309.498 2.474 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000423839727 404885039 /nfs/dbraw/zinc/88/50/39/404885039.db2.gz JSJCFOAQEODOSY-IAGOWNOFSA-N 1 3 317.477 2.403 20 0 DEADHO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000353762759 404962973 /nfs/dbraw/zinc/96/29/73/404962973.db2.gz SLVDDOZPPVYOFL-KBAYOESNSA-N 1 3 317.477 2.257 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000416783374 404908735 /nfs/dbraw/zinc/90/87/35/404908735.db2.gz HABVOXFQVDAYTG-WBVHZDCISA-N 1 3 318.465 2.250 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000361083004 404909208 /nfs/dbraw/zinc/90/92/08/404909208.db2.gz WYTJFFORILXIBA-QAPCUYQASA-N 1 3 317.477 2.385 20 0 DEADHO C[NH+](C)C1CCC(NCc2ccc(S(C)(=O)=O)s2)CC1 ZINC000353682354 404918398 /nfs/dbraw/zinc/91/83/98/404918398.db2.gz NMFBXWJRLTXAJH-UHFFFAOYSA-N 1 3 316.492 2.114 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]1C1CC[NH2+]CC1)N1CCCCC1 ZINC000361112983 404924590 /nfs/dbraw/zinc/92/45/90/404924590.db2.gz WZEZFQLGSODEIU-YESZJQIVSA-N 1 3 307.482 2.001 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000416847281 404932995 /nfs/dbraw/zinc/93/29/95/404932995.db2.gz VFGJZLIJSFXBLP-WBVHZDCISA-N 1 3 318.465 2.060 20 0 DEADHO C[C@@H]([NH3+])c1ccc(NC(=O)Nc2ccnn2CCN(C)C)cc1 ZINC000415764672 404936541 /nfs/dbraw/zinc/93/65/41/404936541.db2.gz ZYBYLIDOOIOSKN-GFCCVEGCSA-N 1 3 316.409 2.108 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000416888402 404951064 /nfs/dbraw/zinc/95/10/64/404951064.db2.gz OWROHBUPKYRIOD-INIZCTEOSA-N 1 3 318.465 2.019 20 0 DEADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCCN1CCC(C)CC1 ZINC000361284666 405007808 /nfs/dbraw/zinc/00/78/08/405007808.db2.gz BSTRXOUHGLWHAB-KRWDZBQOSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@H]([NH2+]C[C@H](O)CN1CCC(C)CC1)c1ccc2c(c1)COC2 ZINC000361344286 405031708 /nfs/dbraw/zinc/03/17/08/405031708.db2.gz CVEFFWFKJUIKDX-KXBFYZLASA-N 1 3 318.461 2.460 20 0 DEADHO CC(C)[NH2+]CCC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000382721908 405032353 /nfs/dbraw/zinc/03/23/53/405032353.db2.gz NPLFDVWWNQQEND-QGZVFWFLSA-N 1 3 317.477 2.498 20 0 DEADHO O=C([C@H]1CCCN1Cc1ccccc1)N1CCC2(CC[NH2+]2)CC1 ZINC000424056698 404987475 /nfs/dbraw/zinc/98/74/75/404987475.db2.gz SOQQSBSBZQYFTQ-QGZVFWFLSA-N 1 3 313.445 2.006 20 0 DEADHO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415970958 404989435 /nfs/dbraw/zinc/98/94/35/404989435.db2.gz IXYYHXXKWOUWJD-CYBMUJFWSA-N 1 3 320.437 2.020 20 0 DEADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415970958 404989439 /nfs/dbraw/zinc/98/94/39/404989439.db2.gz IXYYHXXKWOUWJD-CYBMUJFWSA-N 1 3 320.437 2.020 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@H]([NH2+]C)C1)c1ccsc1 ZINC000417001088 404993369 /nfs/dbraw/zinc/99/33/69/404993369.db2.gz DONDHCLPFQGWAD-CABCVRRESA-N 1 3 324.494 2.134 20 0 DEADHO CCN(CCC(=O)Nc1cccc(OC)c1)[C@H]1CCC[NH2+]CC1 ZINC000435611304 404995665 /nfs/dbraw/zinc/99/56/65/404995665.db2.gz AGXUUPKHQOMKAQ-INIZCTEOSA-N 1 3 319.449 2.488 20 0 DEADHO CC[N@H+](CCC(=O)Nc1cccc(OC)c1)[C@H]1CCCNCC1 ZINC000435611304 404995669 /nfs/dbraw/zinc/99/56/69/404995669.db2.gz AGXUUPKHQOMKAQ-INIZCTEOSA-N 1 3 319.449 2.488 20 0 DEADHO CC[N@@H+](CCC(=O)Nc1cccc(OC)c1)[C@H]1CCCNCC1 ZINC000435611304 404995674 /nfs/dbraw/zinc/99/56/74/404995674.db2.gz AGXUUPKHQOMKAQ-INIZCTEOSA-N 1 3 319.449 2.488 20 0 DEADHO CN(CCC(=O)N1CCc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000435612710 404996010 /nfs/dbraw/zinc/99/60/10/404996010.db2.gz HAHAMCLEQUZXHV-INIZCTEOSA-N 1 3 301.434 2.040 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CCCN1C ZINC000416198346 405054576 /nfs/dbraw/zinc/05/45/76/405054576.db2.gz JVUZGBZGSYVHFB-PVAVHDDUSA-N 1 3 303.450 2.278 20 0 DEADHO C[C@@H]1CC2(CN1CC(=O)N(C)Cc1ccccc1)CC[NH2+]CC2 ZINC000424294346 405059485 /nfs/dbraw/zinc/05/94/85/405059485.db2.gz QAFSGYIBQBANMD-MRXNPFEDSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@H]1CC2(CN1CC(=O)N(C)CC1CCCCC1)CC[NH2+]CC2 ZINC000424298134 405060617 /nfs/dbraw/zinc/06/06/17/405060617.db2.gz TZBODPNGUZFNHX-INIZCTEOSA-N 1 3 321.509 2.489 20 0 DEADHO CO[C@@H]1C[C@@H]([N@H+](C)CCCN2CCN(C(C)C)CC2)C12CCC2 ZINC000451861420 405069709 /nfs/dbraw/zinc/06/97/09/405069709.db2.gz XMCYVSQMPZIBEX-QZTJIDSGSA-N 1 3 323.525 2.292 20 0 DEADHO CO[C@@H]1C[C@@H]([N@@H+](C)CCCN2CCN(C(C)C)CC2)C12CCC2 ZINC000451861420 405069712 /nfs/dbraw/zinc/06/97/12/405069712.db2.gz XMCYVSQMPZIBEX-QZTJIDSGSA-N 1 3 323.525 2.292 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000417531861 405090582 /nfs/dbraw/zinc/09/05/82/405090582.db2.gz JUKGFUIMAVLLMK-XUWVNRHRSA-N 1 3 310.486 2.066 20 0 DEADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000417539485 405090869 /nfs/dbraw/zinc/09/08/69/405090869.db2.gz VKVHRWKCMKXAGD-HOTGVXAUSA-N 1 3 322.497 2.034 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+])c1ccco1 ZINC000424471975 405104480 /nfs/dbraw/zinc/10/44/80/405104480.db2.gz DSGLICWLTVVDEV-GBJTYRQASA-N 1 3 322.453 2.278 20 0 DEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000361510572 405107646 /nfs/dbraw/zinc/10/76/46/405107646.db2.gz JEMKKNXGXYVGFI-UXLLHSPISA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H]1NCCN(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)[C@H]1C ZINC000418141591 405112672 /nfs/dbraw/zinc/11/26/72/405112672.db2.gz WYGQUEHGQHHGMO-YQQAZPJKSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1NCCN(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)[C@H]1C ZINC000418141591 405112675 /nfs/dbraw/zinc/11/26/75/405112675.db2.gz WYGQUEHGQHHGMO-YQQAZPJKSA-N 1 3 322.497 2.175 20 0 DEADHO CCCN1CCC[C@H]1CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000418175401 405116399 /nfs/dbraw/zinc/11/63/99/405116399.db2.gz ARLDYNMVXOKNKT-DLBZAZTESA-N 1 3 322.497 2.034 20 0 DEADHO CC[N@H+](CCCN(C)C)Cc1cn(C)nc1-c1ccncc1 ZINC000367721151 405135259 /nfs/dbraw/zinc/13/52/59/405135259.db2.gz NPSVLTKLSZFMEQ-UHFFFAOYSA-N 1 3 301.438 2.256 20 0 DEADHO CC[N@@H+](CCCN(C)C)Cc1cn(C)nc1-c1ccncc1 ZINC000367721151 405135263 /nfs/dbraw/zinc/13/52/63/405135263.db2.gz NPSVLTKLSZFMEQ-UHFFFAOYSA-N 1 3 301.438 2.256 20 0 DEADHO CCCN(C(=O)NC[C@H](N)c1ccccc1CC)[C@@H]1CC[NH2+]C1 ZINC000418644396 405147495 /nfs/dbraw/zinc/14/74/95/405147495.db2.gz CCPJCTFXXLRQJC-WBVHZDCISA-N 1 3 318.465 2.032 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000418646435 405148020 /nfs/dbraw/zinc/14/80/20/405148020.db2.gz FJOGNRFSYWAUQN-FRFSOERESA-N 1 3 318.465 2.018 20 0 DEADHO CCO[C@@H]1CCCC[C@H]1[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000452056751 405145153 /nfs/dbraw/zinc/14/51/53/405145153.db2.gz UUOUGLTUQXTINX-QZTJIDSGSA-N 1 3 311.514 2.340 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418800385 405204591 /nfs/dbraw/zinc/20/45/91/405204591.db2.gz WQVMYEQOPLJXEO-DLBZAZTESA-N 1 3 324.513 2.411 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000418699447 405171575 /nfs/dbraw/zinc/17/15/75/405171575.db2.gz ASHKPTUJAADLIR-RDJZCZTQSA-N 1 3 318.465 2.030 20 0 DEADHO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000452114781 405175990 /nfs/dbraw/zinc/17/59/90/405175990.db2.gz ALZVWPZAHMQZDC-WCXIOVBPSA-N 1 3 309.498 2.342 20 0 DEADHO Cc1ccc(S(=O)(=O)CCCN[C@](C)(C[NH3+])C(C)C)cc1 ZINC000420295500 405309930 /nfs/dbraw/zinc/30/99/30/405309930.db2.gz ASAVLCLGEAEPTM-MRXNPFEDSA-N 1 3 312.479 2.122 20 0 DEADHO CCN(CC[C@H]1CC[NH2+]C1)[C@H]1CCN(c2ccccc2)C1=O ZINC000420299455 405310550 /nfs/dbraw/zinc/31/05/50/405310550.db2.gz ISNRKUCAIDWAON-WBVHZDCISA-N 1 3 301.434 2.113 20 0 DEADHO C[C@H](c1cccnc1)N1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420308637 405313684 /nfs/dbraw/zinc/31/36/84/405313684.db2.gz DCZWSNCRZZECOV-SJORKVTESA-N 1 3 302.466 2.150 20 0 DEADHO CCCN(CCOc1cccc(C(=O)OC)c1)C1CC[NH2+]CC1 ZINC000420313087 405315303 /nfs/dbraw/zinc/31/53/03/405315303.db2.gz IMPBZMCWPQHRNY-UHFFFAOYSA-N 1 3 320.433 2.316 20 0 DEADHO CCC[N@H+](CCOc1cccc(C(=O)OC)c1)C1CCNCC1 ZINC000420313087 405315304 /nfs/dbraw/zinc/31/53/04/405315304.db2.gz IMPBZMCWPQHRNY-UHFFFAOYSA-N 1 3 320.433 2.316 20 0 DEADHO CCC[N@@H+](CCOc1cccc(C(=O)OC)c1)C1CCNCC1 ZINC000420313087 405315307 /nfs/dbraw/zinc/31/53/07/405315307.db2.gz IMPBZMCWPQHRNY-UHFFFAOYSA-N 1 3 320.433 2.316 20 0 DEADHO CCOc1ccccc1NC(=O)CCN1CC[C@](C)(C[NH3+])C1 ZINC000420322974 405319574 /nfs/dbraw/zinc/31/95/74/405319574.db2.gz XIKLMSLSCDDVBU-QGZVFWFLSA-N 1 3 305.422 2.085 20 0 DEADHO CCOc1ccccc1NC(=O)CC[N@@H+]1CC[C@](C)(CN)C1 ZINC000420322974 405319575 /nfs/dbraw/zinc/31/95/75/405319575.db2.gz XIKLMSLSCDDVBU-QGZVFWFLSA-N 1 3 305.422 2.085 20 0 DEADHO CCOc1ccccc1NC(=O)CC[N@H+]1CC[C@](C)(CN)C1 ZINC000420322974 405319576 /nfs/dbraw/zinc/31/95/76/405319576.db2.gz XIKLMSLSCDDVBU-QGZVFWFLSA-N 1 3 305.422 2.085 20 0 DEADHO NC[C@H]1C[N@H+](CCCCC2CCOCC2)CC12CCOCC2 ZINC000420337080 405324627 /nfs/dbraw/zinc/32/46/27/405324627.db2.gz WJNIMWIQHUZOPK-KRWDZBQOSA-N 1 3 310.482 2.271 20 0 DEADHO NC[C@H]1C[N@@H+](CCCCC2CCOCC2)CC12CCOCC2 ZINC000420337080 405324628 /nfs/dbraw/zinc/32/46/28/405324628.db2.gz WJNIMWIQHUZOPK-KRWDZBQOSA-N 1 3 310.482 2.271 20 0 DEADHO C[C@@H]1CCC[C@H](NC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)[C@@H]1C ZINC000420338994 405325043 /nfs/dbraw/zinc/32/50/43/405325043.db2.gz LGDBQSQFUXREGN-DZVNLGKHSA-N 1 3 321.509 2.249 20 0 DEADHO COC(=O)CC1(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000440785372 405326701 /nfs/dbraw/zinc/32/67/01/405326701.db2.gz WUQAPSGKQRBDPK-ZBFHGGJFSA-N 1 3 306.450 2.278 20 0 DEADHO COC(=O)CC1(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000440785372 405326703 /nfs/dbraw/zinc/32/67/03/405326703.db2.gz WUQAPSGKQRBDPK-ZBFHGGJFSA-N 1 3 306.450 2.278 20 0 DEADHO OC[C@@H]1CCC[C@H](CNCc2cc(C3CC[NH2+]CC3)no2)C1 ZINC000425897524 405327972 /nfs/dbraw/zinc/32/79/72/405327972.db2.gz UZBBSENPBJHIOR-UONOGXRCSA-N 1 3 307.438 2.030 20 0 DEADHO NCc1cn([C@H]2CCC[N@H+](CCCc3cccc(F)c3)C2)nn1 ZINC000420377859 405337487 /nfs/dbraw/zinc/33/74/87/405337487.db2.gz LMYKXHVVPJDPNF-KRWDZBQOSA-N 1 3 317.412 2.146 20 0 DEADHO NCc1cn([C@H]2CCC[N@@H+](CCCc3cccc(F)c3)C2)nn1 ZINC000420377859 405337488 /nfs/dbraw/zinc/33/74/88/405337488.db2.gz LMYKXHVVPJDPNF-KRWDZBQOSA-N 1 3 317.412 2.146 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@H](C)[NH+](C)C)C1 ZINC000454385596 405338554 /nfs/dbraw/zinc/33/85/54/405338554.db2.gz WZDDQBSPTVAJAM-UXLLHSPISA-N 1 3 318.465 2.071 20 0 DEADHO [NH3+]CC1(O)CCN(Cc2ccccc2Oc2cccnc2)CC1 ZINC000420401097 405344700 /nfs/dbraw/zinc/34/47/00/405344700.db2.gz GHPUIUBOQICZKE-UHFFFAOYSA-N 1 3 313.401 2.160 20 0 DEADHO CCOc1ccccc1NC(=O)CCN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420407747 405345324 /nfs/dbraw/zinc/34/53/24/405345324.db2.gz OPYLXVPWGAMPKP-HUUCEWRRSA-N 1 3 319.449 2.331 20 0 DEADHO C[C@@H](CNC(=O)NC1CCC([NH+](C)C)CC1)N1CCC[C@H](C)C1 ZINC000420782745 405383238 /nfs/dbraw/zinc/38/32/38/405383238.db2.gz DTCDESMVLJWEFI-JUVOFCAFSA-N 1 3 324.513 2.279 20 0 DEADHO C[NH+](C)C1(CNC(=O)N2CCN(CCC(C)(C)C)CC2)CCC1 ZINC000446619273 405387220 /nfs/dbraw/zinc/38/72/20/405387220.db2.gz DIWQFZKTSGSCTF-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000420827339 405392014 /nfs/dbraw/zinc/39/20/14/405392014.db2.gz VIQGFQGNZZRLSI-HOTGVXAUSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000420827339 405392015 /nfs/dbraw/zinc/39/20/15/405392015.db2.gz VIQGFQGNZZRLSI-HOTGVXAUSA-N 1 3 324.513 2.233 20 0 DEADHO O=C(NCCC[NH+]1CCCC1)[C@H]1CCCCN1C1CCCC1 ZINC000448597557 405424928 /nfs/dbraw/zinc/42/49/28/405424928.db2.gz PDVBCEJYDGXLQM-QGZVFWFLSA-N 1 3 307.482 2.386 20 0 DEADHO CC[NH+]1CCC(N2CCCN(c3cc(C)nc(C)n3)CC2)CC1 ZINC000420621516 405362934 /nfs/dbraw/zinc/36/29/34/405362934.db2.gz DDTDMZFWZMBFPM-UHFFFAOYSA-N 1 3 317.481 2.090 20 0 DEADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)N2CCCC[C@@H]2CC)CC1 ZINC000430558902 405456624 /nfs/dbraw/zinc/45/66/24/405456624.db2.gz ZGBBNIKWGFIMPT-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1nc2ccccc2nc1CN1CCC(OCCC[NH3+])CC1 ZINC000430588491 405462627 /nfs/dbraw/zinc/46/26/27/405462627.db2.gz ZNBUTTVEOJJEIH-UHFFFAOYSA-N 1 3 314.433 2.268 20 0 DEADHO CC(C)[C@@H](N)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000430718077 405497485 /nfs/dbraw/zinc/49/74/85/405497485.db2.gz GEIRSVZGNDVFRS-RHSMWYFYSA-N 1 3 303.450 2.312 20 0 DEADHO CN1CCC(N2CCC([NH2+]CC3CCSCC3)CC2)CC1 ZINC000638460155 405483326 /nfs/dbraw/zinc/48/33/26/405483326.db2.gz SOEUNPKWINUMSP-UHFFFAOYSA-N 1 3 311.539 2.278 20 0 DEADHO CCC[C@@](C)([NH3+])C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000430699694 405492838 /nfs/dbraw/zinc/49/28/38/405492838.db2.gz JDDKKQMGKMLACD-GOSISDBHSA-N 1 3 319.449 2.099 20 0 DEADHO Cc1ccc([C@H](CNC(=O)CCCC[NH+](C)C)N(C)C)cc1 ZINC000556935629 405559453 /nfs/dbraw/zinc/55/94/53/405559453.db2.gz DXLRZHILZOADSI-KRWDZBQOSA-N 1 3 305.466 2.446 20 0 DEADHO C[C@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000431035905 405565220 /nfs/dbraw/zinc/56/52/20/405565220.db2.gz GQVFHBOHHPFIGW-HOTGVXAUSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H](CC(=O)N1CCCc2cccc(CN)c21)C1CC[NH2+]CC1 ZINC000638551174 405542523 /nfs/dbraw/zinc/54/25/23/405542523.db2.gz UUBXNIPALKTRKN-AWEZNQCLSA-N 1 3 315.461 2.450 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)N(CC)CC ZINC000638559793 405547142 /nfs/dbraw/zinc/54/71/42/405547142.db2.gz QRGXNMSJNAOWBM-YNEHKIRRSA-N 1 3 323.403 2.093 20 0 DEADHO Brc1cncc(CN2CCC3(CC[NH2+]C3)CC2)c1 ZINC000430968498 405551145 /nfs/dbraw/zinc/55/11/45/405551145.db2.gz WRDXYLAFNQLSMJ-UHFFFAOYSA-N 1 3 310.239 2.420 20 0 DEADHO CC[C@@H]([NH2+]Cc1ccccc1N1CCN(CC)CC1)[C@@H](C)O ZINC000449546365 405607560 /nfs/dbraw/zinc/60/75/60/405607560.db2.gz VKUDLXYJFWEZBL-NVXWUHKLSA-N 1 3 305.466 2.078 20 0 DEADHO CC(C)O[C@@H](C[NH2+]CC1(O)CCN(C)CC1)c1ccccc1 ZINC000638680729 405614606 /nfs/dbraw/zinc/61/46/06/405614606.db2.gz GEOCQJHHHAAAPF-KRWDZBQOSA-N 1 3 306.450 2.199 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000557632543 405615000 /nfs/dbraw/zinc/61/50/00/405615000.db2.gz AMJFHQXOHZLPNZ-INIZCTEOSA-N 1 3 307.482 2.053 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)NC(C)(C)C[NH+](C)C)c1ccco1 ZINC000458776429 405584701 /nfs/dbraw/zinc/58/47/01/405584701.db2.gz RZZDIBQKKXNPBA-UONOGXRCSA-N 1 3 324.469 2.348 20 0 DEADHO O=C(NCC[NH2+]C1CCCCCC1)N1CC[C@H](N2CCCC2)C1 ZINC000638718498 405632965 /nfs/dbraw/zinc/63/29/65/405632965.db2.gz JOMIHCSOTIEISS-KRWDZBQOSA-N 1 3 322.497 2.179 20 0 DEADHO CN(C)C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000635907721 405596781 /nfs/dbraw/zinc/59/67/81/405596781.db2.gz YYDUWGNHWYLNAL-OAHLLOKOSA-N 1 3 323.868 2.401 20 0 DEADHO O=C(NCCCCC[NH+]1CCCC1)[C@H]1CCN1C1CCCC1 ZINC000635967314 405642518 /nfs/dbraw/zinc/64/25/18/405642518.db2.gz YQWNYHPFSIVQGX-QGZVFWFLSA-N 1 3 307.482 2.386 20 0 DEADHO CCN(CCNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC000431800171 405678575 /nfs/dbraw/zinc/67/85/75/405678575.db2.gz KSSJGJRNILAXDK-KRWDZBQOSA-N 1 3 303.450 2.280 20 0 DEADHO COC1([C@@H](C)NC[C@H](O)C[NH+]2CCC(C)CC2)CCCCC1 ZINC000421828195 405652064 /nfs/dbraw/zinc/65/20/64/405652064.db2.gz BLBDOKBDYPITMB-SJORKVTESA-N 1 3 312.498 2.407 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000582159484 405679882 /nfs/dbraw/zinc/67/98/82/405679882.db2.gz PQXWQONXEIQSMX-DOTOQJQBSA-N 1 3 322.497 2.033 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000582159484 405679884 /nfs/dbraw/zinc/67/98/84/405679884.db2.gz PQXWQONXEIQSMX-DOTOQJQBSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C2CCN(C3CC3)CC2)C1 ZINC000494315418 405676185 /nfs/dbraw/zinc/67/61/85/405676185.db2.gz UDZVLVQGUALJLW-HZPDHXFCSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)N(C)c1ccccc1 ZINC000422870335 405689813 /nfs/dbraw/zinc/68/98/13/405689813.db2.gz YNUHXCOKFHRXBT-OQIJWPOYSA-N 1 3 317.477 2.258 20 0 DEADHO FC(F)(F)OCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423074987 405699374 /nfs/dbraw/zinc/69/93/74/405699374.db2.gz VWGKQCKVCDORFS-OCCSQVGLSA-N 1 3 316.323 2.368 20 0 DEADHO CC(C)C[C@H](N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000638835964 405703848 /nfs/dbraw/zinc/70/38/48/405703848.db2.gz OMNLETNLHQACOZ-NJAFHUGGSA-N 1 3 317.477 2.244 20 0 DEADHO CC(C)C[C@H](N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000638835964 405703854 /nfs/dbraw/zinc/70/38/54/405703854.db2.gz OMNLETNLHQACOZ-NJAFHUGGSA-N 1 3 317.477 2.244 20 0 DEADHO [NH3+][C@H]1C[C@H](N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c2ccccc21 ZINC000423154092 405706400 /nfs/dbraw/zinc/70/64/00/405706400.db2.gz HBZMFRGIOQMLMY-CSHUHZATSA-N 1 3 321.424 2.412 20 0 DEADHO CCC1([NH+]2CCCC2)CCN(C(=O)[C@@H]2C[C@@H](C)CCN2)CC1 ZINC000638862025 405723460 /nfs/dbraw/zinc/72/34/60/405723460.db2.gz JWQOOVJTAJAVSJ-HOTGVXAUSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1ccc(S(=O)(=O)C[C@@H](C)NCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000423256804 405738460 /nfs/dbraw/zinc/73/84/60/405738460.db2.gz GBGVEFWVXPAWHW-CVEARBPZSA-N 1 3 324.490 2.137 20 0 DEADHO C[NH+](C)CC(C)(C)CNC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000423297223 405751143 /nfs/dbraw/zinc/75/11/43/405751143.db2.gz JFNHHVYBTGRIFW-HNNXBMFYSA-N 1 3 305.466 2.417 20 0 DEADHO C[C@H]1CCN[C@@H](C(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000423360782 405776001 /nfs/dbraw/zinc/77/60/01/405776001.db2.gz QXODPIVTCOKDGJ-WMLDXEAASA-N 1 3 307.482 2.145 20 0 DEADHO CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@@H](C)CCN2)c1 ZINC000423364036 405778853 /nfs/dbraw/zinc/77/88/53/405778853.db2.gz YWJSCFYDXWXVCK-YOEHRIQHSA-N 1 3 303.450 2.143 20 0 DEADHO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@@H](C)CCN2)c1 ZINC000423364036 405778858 /nfs/dbraw/zinc/77/88/58/405778858.db2.gz YWJSCFYDXWXVCK-YOEHRIQHSA-N 1 3 303.450 2.143 20 0 DEADHO C[NH2+]CCc1ccccc1C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000423372544 405782193 /nfs/dbraw/zinc/78/21/93/405782193.db2.gz VYLMWXBPRPELOQ-CVEARBPZSA-N 1 3 317.477 2.299 20 0 DEADHO C[C@H]1CCN(C(=O)CC2(C[NH3+])CC2)CCN1Cc1ccccc1 ZINC000423422152 405801010 /nfs/dbraw/zinc/80/10/10/405801010.db2.gz CZIRENSLBVBTLR-INIZCTEOSA-N 1 3 315.461 2.238 20 0 DEADHO CC(C)N1CCN(C2CC[NH+](CCC3CCOCC3)CC2)CC1 ZINC000432772579 405805391 /nfs/dbraw/zinc/80/53/91/405805391.db2.gz WAESRPAVXKTMLS-UHFFFAOYSA-N 1 3 323.525 2.294 20 0 DEADHO Cc1ccc(S(=O)(=O)C[C@@H](C)NCCC[C@H]2CCC[NH2+]2)cc1 ZINC000423471300 405816708 /nfs/dbraw/zinc/81/67/08/405816708.db2.gz FAOCTFJSVZZYQQ-CVEARBPZSA-N 1 3 324.490 2.279 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CCC[C@@H]3C[NH3+])C2)cc1 ZINC000639006049 405818412 /nfs/dbraw/zinc/81/84/12/405818412.db2.gz QSZCFZHGWWBONN-SQNIBIBYSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000561043229 405885308 /nfs/dbraw/zinc/88/53/08/405885308.db2.gz LUKCXPHHXFAQEZ-AWEZNQCLSA-N 1 3 316.449 2.328 20 0 DEADHO N[C@@H](CC1CCCCC1)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000423506747 405831811 /nfs/dbraw/zinc/83/18/11/405831811.db2.gz MGYOMOUCJZRIJV-HOCLYGCPSA-N 1 3 316.449 2.134 20 0 DEADHO [NH3+]C[C@H]1CCN(C(=O)c2cccc3c2CNC3)c2ccccc21 ZINC000639064549 405856651 /nfs/dbraw/zinc/85/66/51/405856651.db2.gz LKJVZLDTYWASEK-CYBMUJFWSA-N 1 3 307.397 2.383 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000423734715 405933876 /nfs/dbraw/zinc/93/38/76/405933876.db2.gz BHIZEYNPWBQOMY-MSOLQXFVSA-N 1 3 317.477 2.485 20 0 DEADHO C[C@@H](C[NH3+])C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000423754405 405948624 /nfs/dbraw/zinc/94/86/24/405948624.db2.gz HXQVFUWZPXUDOT-AWEZNQCLSA-N 1 3 323.868 2.359 20 0 DEADHO C[C@H](CC(=O)N(C)[C@@H](C)C1CCN(C)CC1)C1CC[NH2+]CC1 ZINC000423757240 405950359 /nfs/dbraw/zinc/95/03/59/405950359.db2.gz HXWKANDMXFTKOE-CABCVRRESA-N 1 3 309.498 2.201 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000423774769 405957933 /nfs/dbraw/zinc/95/79/33/405957933.db2.gz LRGIZRPCXBEQSR-BURFUSLBSA-N 1 3 315.461 2.011 20 0 DEADHO CN(C)C[C@H](NC(=O)CC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423776951 405960470 /nfs/dbraw/zinc/96/04/70/405960470.db2.gz QWNKVTCSEAJCLX-INIZCTEOSA-N 1 3 323.868 2.449 20 0 DEADHO CN(C)C[C@H](NC(=O)CC[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423781477 405963247 /nfs/dbraw/zinc/96/32/47/405963247.db2.gz XRIHOSNTFQXPEW-CJNGLKHVSA-N 1 3 323.868 2.449 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000433229030 405903483 /nfs/dbraw/zinc/90/34/83/405903483.db2.gz QMUPVXHCZNUQBN-UHFFFAOYSA-N 1 3 301.434 2.105 20 0 DEADHO CC[NH2+]CCCNC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000561206817 405904290 /nfs/dbraw/zinc/90/42/90/405904290.db2.gz ITNMWUYGSTWBGG-UHFFFAOYSA-N 1 3 320.481 2.196 20 0 DEADHO C[C@@H](CNC(=O)c1ccccc1CN(C)C)C[NH+]1CCCC1 ZINC000433312127 405920596 /nfs/dbraw/zinc/92/05/96/405920596.db2.gz KGYQUKJDQKKQSU-HNNXBMFYSA-N 1 3 303.450 2.210 20 0 DEADHO CC1CCN(CC(=O)N2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000633943840 405922674 /nfs/dbraw/zinc/92/26/74/405922674.db2.gz HPLGNVYBUMHVTE-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CCN(CCC[NH+](CC)CC)C(=O)[C@H](CN)c1ccc(F)cc1 ZINC000423792922 405970530 /nfs/dbraw/zinc/97/05/30/405970530.db2.gz ZROTVOLQZBDYQP-QGZVFWFLSA-N 1 3 323.456 2.448 20 0 DEADHO Cc1cc(CN(C)C)cc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000423794636 405972277 /nfs/dbraw/zinc/97/22/77/405972277.db2.gz YBZKWFLIKPYGOV-INIZCTEOSA-N 1 3 301.434 2.385 20 0 DEADHO NC[C@@H](C(=O)NC1CC([NH+]2CCCCC2)C1)c1ccc(F)cc1 ZINC000423797165 405973816 /nfs/dbraw/zinc/97/38/16/405973816.db2.gz ICLMURGITODVLH-OFLPRAFFSA-N 1 3 319.424 2.001 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000462719867 406087197 /nfs/dbraw/zinc/08/71/97/406087197.db2.gz ONPABSDVEQDYBG-IXDOHACOSA-N 1 3 324.513 2.233 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000462719867 406087201 /nfs/dbraw/zinc/08/72/01/406087201.db2.gz ONPABSDVEQDYBG-IXDOHACOSA-N 1 3 324.513 2.233 20 0 DEADHO CCN1CCC(NC(=O)C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)CC1 ZINC000464882849 406090282 /nfs/dbraw/zinc/09/02/82/406090282.db2.gz LHAJVGKHBONERZ-INMHGKMJSA-N 1 3 307.482 2.240 20 0 DEADHO CCN1CCC(NC(=O)C[N@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)CC1 ZINC000464882849 406090286 /nfs/dbraw/zinc/09/02/86/406090286.db2.gz LHAJVGKHBONERZ-INMHGKMJSA-N 1 3 307.482 2.240 20 0 DEADHO N[C@@H]1CCC[C@@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000565593394 406074194 /nfs/dbraw/zinc/07/41/94/406074194.db2.gz UOJXIWCJAUEHIZ-OLZOCXBDSA-N 1 3 306.797 2.402 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000533512952 406148687 /nfs/dbraw/zinc/14/86/87/406148687.db2.gz CEJPGHMUIRMBKP-WBVHZDCISA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000533512952 406148691 /nfs/dbraw/zinc/14/86/91/406148691.db2.gz CEJPGHMUIRMBKP-WBVHZDCISA-N 1 3 307.482 2.240 20 0 DEADHO CCOc1ccc(C[NH2+]C[C@H](C)N2CCN(CC)CC2)cc1F ZINC000486945090 406191218 /nfs/dbraw/zinc/19/12/18/406191218.db2.gz QBEMSFJGJUXJKT-HNNXBMFYSA-N 1 3 323.456 2.340 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)C1 ZINC000569239534 406225962 /nfs/dbraw/zinc/22/59/62/406225962.db2.gz YRGORHIBUKAZNB-FGTMMUONSA-N 1 3 315.461 2.080 20 0 DEADHO CC[C@H]1CN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCCO1 ZINC000639623932 406174293 /nfs/dbraw/zinc/17/42/93/406174293.db2.gz VQRIDCAFXSHCOY-RBUKOAKNSA-N 1 3 318.461 2.124 20 0 DEADHO CC[C@H]1CN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCCO1 ZINC000639623932 406174295 /nfs/dbraw/zinc/17/42/95/406174295.db2.gz VQRIDCAFXSHCOY-RBUKOAKNSA-N 1 3 318.461 2.124 20 0 DEADHO C[C@@H]1CCCC[C@H]1NC(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639759728 406238160 /nfs/dbraw/zinc/23/81/60/406238160.db2.gz HTSDOQQZDIEJMV-HZPDHXFCSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639759559 406238384 /nfs/dbraw/zinc/23/83/84/406238384.db2.gz BFQVIYVUAZCGNN-IXDOHACOSA-N 1 3 321.509 2.297 20 0 DEADHO COc1ccc([C@@H](C)CN2CCC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC000639762050 406239196 /nfs/dbraw/zinc/23/91/96/406239196.db2.gz JMUWKSHAQUGJIS-MAUKXSAKSA-N 1 3 306.450 2.187 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCC[C@H]3C)CC2)CC1 ZINC000569375867 406246648 /nfs/dbraw/zinc/24/66/48/406246648.db2.gz GHFLOWXHPKXFTA-CRAIPNDOSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000637471590 406319900 /nfs/dbraw/zinc/31/99/00/406319900.db2.gz WFEPZBLBHRUMKD-IAGOWNOFSA-N 1 3 322.497 2.127 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000637471590 406319902 /nfs/dbraw/zinc/31/99/02/406319902.db2.gz WFEPZBLBHRUMKD-IAGOWNOFSA-N 1 3 322.497 2.127 20 0 DEADHO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000488562694 406330809 /nfs/dbraw/zinc/33/08/09/406330809.db2.gz SGGFWSMTVGULQC-HZPDHXFCSA-N 1 3 324.513 2.233 20 0 DEADHO Cc1ncc([C@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)c(C)n1 ZINC000635006643 406397326 /nfs/dbraw/zinc/39/73/26/406397326.db2.gz CFPCSHJSKHWQTD-ZDUSSCGKSA-N 1 3 312.421 2.071 20 0 DEADHO CC1(C)CNCC[C@H]([NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000635010548 406399029 /nfs/dbraw/zinc/39/90/29/406399029.db2.gz KEZOOYCRRNUKSC-KRWDZBQOSA-N 1 3 316.493 2.414 20 0 DEADHO C[C@@H](NCc1nnc(C2CC[NH2+]CC2)[nH]1)C1C(C)(C)C1(C)C ZINC000570563648 406409646 /nfs/dbraw/zinc/40/96/46/406409646.db2.gz NRKMJWMJPZVEMX-LLVKDONJSA-N 1 3 305.470 2.432 20 0 DEADHO CC[C@@H](N)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000570686978 406426598 /nfs/dbraw/zinc/42/65/98/406426598.db2.gz QRRWXWAACIJVDL-BHYGNILZSA-N 1 3 303.450 2.235 20 0 DEADHO CC[C@@H](N)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000570686978 406426601 /nfs/dbraw/zinc/42/66/01/406426601.db2.gz QRRWXWAACIJVDL-BHYGNILZSA-N 1 3 303.450 2.235 20 0 DEADHO N[C@@H]1CCC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)C1 ZINC000570294368 406375506 /nfs/dbraw/zinc/37/55/06/406375506.db2.gz RFSFHONLMZXAKH-HIFRSBDPSA-N 1 3 319.424 2.290 20 0 DEADHO C[C@H]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CN1C1CC1 ZINC000546721821 406377169 /nfs/dbraw/zinc/37/71/69/406377169.db2.gz BIKVGCPUBNZHRL-GJZGRUSLSA-N 1 3 307.482 2.382 20 0 DEADHO C[C@H]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CN1C1CC1 ZINC000546721821 406377175 /nfs/dbraw/zinc/37/71/75/406377175.db2.gz BIKVGCPUBNZHRL-GJZGRUSLSA-N 1 3 307.482 2.382 20 0 DEADHO CC[NH+](CC)CCOCCNCc1ccc2nccnc2c1 ZINC000634975668 406381209 /nfs/dbraw/zinc/38/12/09/406381209.db2.gz DULYSLWXSMYPJT-UHFFFAOYSA-N 1 3 302.422 2.078 20 0 DEADHO CN(C[C@@H]1CCCN(C)C1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000547736233 406439181 /nfs/dbraw/zinc/43/91/81/406439181.db2.gz YLVNCEPAMLFHHU-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO CN(C[C@@H]1CCCN(C)C1)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000547736233 406439185 /nfs/dbraw/zinc/43/91/85/406439185.db2.gz YLVNCEPAMLFHHU-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO O=C(Cc1cccc2c1CC[NH2+]C2)Nc1ccc2c(c1)CNCC2 ZINC000637839993 406442140 /nfs/dbraw/zinc/44/21/40/406442140.db2.gz HDGXIMTWXGLYTN-UHFFFAOYSA-N 1 3 321.424 2.159 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000524877839 406463723 /nfs/dbraw/zinc/46/37/23/406463723.db2.gz REMAICUZIKDIJV-AEFFLSMTSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000524877839 406463726 /nfs/dbraw/zinc/46/37/26/406463726.db2.gz REMAICUZIKDIJV-AEFFLSMTSA-N 1 3 315.461 2.061 20 0 DEADHO CN(CCCC[NH+]1CCCCC1)CC[C@@H]1CCS(=O)(=O)C1 ZINC000640533901 406535670 /nfs/dbraw/zinc/53/56/70/406535670.db2.gz YIMUPXHEAIAJJJ-MRXNPFEDSA-N 1 3 316.511 2.009 20 0 DEADHO CCN[C@@H](C)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000638081158 406560047 /nfs/dbraw/zinc/56/00/47/406560047.db2.gz VZKXBSKNKPRAIL-NSHDSACASA-N 1 3 313.829 2.217 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000571431282 406520642 /nfs/dbraw/zinc/52/06/42/406520642.db2.gz OUGKZHCPJRNFQW-XIRDDKMYSA-N 1 3 316.449 2.400 20 0 DEADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000571431282 406520644 /nfs/dbraw/zinc/52/06/44/406520644.db2.gz OUGKZHCPJRNFQW-XIRDDKMYSA-N 1 3 316.449 2.400 20 0 DEADHO C[N@H+](CCNC(=O)[C@H]1CCN1C1CCCC1)Cc1ccccc1 ZINC000635412137 406525273 /nfs/dbraw/zinc/52/52/73/406525273.db2.gz ZSBFWBNOOMRKCY-GOSISDBHSA-N 1 3 315.461 2.252 20 0 DEADHO C[N@@H+](CCNC(=O)[C@H]1CCN1C1CCCC1)Cc1ccccc1 ZINC000635412137 406525279 /nfs/dbraw/zinc/52/52/79/406525279.db2.gz ZSBFWBNOOMRKCY-GOSISDBHSA-N 1 3 315.461 2.252 20 0 DEADHO O=C([C@@H]1CCN1C1CCCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000635588759 406605604 /nfs/dbraw/zinc/60/56/04/406605604.db2.gz IQGZEKUTNMJWAY-AEFFLSMTSA-N 1 3 319.493 2.480 20 0 DEADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1CCN1C1CCCC1 ZINC000635613645 406623596 /nfs/dbraw/zinc/62/35/96/406623596.db2.gz BQVHNEDWXCBACK-WBVHZDCISA-N 1 3 307.482 2.336 20 0 DEADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@@H]1CCN1C1CCCC1 ZINC000635613645 406623597 /nfs/dbraw/zinc/62/35/97/406623597.db2.gz BQVHNEDWXCBACK-WBVHZDCISA-N 1 3 307.482 2.336 20 0 DEADHO [NH3+]CC1(CC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000645787094 406629216 /nfs/dbraw/zinc/62/92/16/406629216.db2.gz WNCJOSLOBOPGAS-KRWDZBQOSA-N 1 3 315.461 2.144 20 0 DEADHO CCO[C@@H]1C[C@@](CO)(NC2CC[NH+](CC3CC3)CC2)C1(C)C ZINC000527113647 406584936 /nfs/dbraw/zinc/58/49/36/406584936.db2.gz WCPMWPHTELAXOU-AEFFLSMTSA-N 1 3 310.482 2.017 20 0 DEADHO Cc1cc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)ccn1 ZINC000527537360 406651939 /nfs/dbraw/zinc/65/19/39/406651939.db2.gz BHQWPEYAOGGUBI-UHFFFAOYSA-N 1 3 316.493 2.240 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CN1Cc1ccccc1 ZINC000635677769 406672686 /nfs/dbraw/zinc/67/26/86/406672686.db2.gz WNQHTQLJIKZFJN-DOTOQJQBSA-N 1 3 315.461 2.107 20 0 DEADHO Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)c1 ZINC000572870278 406755417 /nfs/dbraw/zinc/75/54/17/406755417.db2.gz JCCHVIRIFYFRFQ-IXDOHACOSA-N 1 3 306.450 2.197 20 0 DEADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)/C=C\CN(C)C)C2)CC1 ZINC000491871496 406757178 /nfs/dbraw/zinc/75/71/78/406757178.db2.gz QPPJCUPXOKMGRP-WVRJYTFGSA-N 1 3 307.482 2.075 20 0 DEADHO CN(C)CCN(CCCc1ccccc1)C(=O)CC1([NH3+])CCC1 ZINC000646070702 406768979 /nfs/dbraw/zinc/76/89/79/406768979.db2.gz JXTKLRFUHZEPDC-UHFFFAOYSA-N 1 3 317.477 2.281 20 0 DEADHO CN(C)CCN1CCC([NH2+]Cc2cc3ccccc3n2C)CC1 ZINC000638357024 406721421 /nfs/dbraw/zinc/72/14/21/406721421.db2.gz UKNPNDXSPVVSCA-UHFFFAOYSA-N 1 3 314.477 2.294 20 0 DEADHO C[C@@H](CNC1CC[NH+](CC(C)(C)O)CC1)N(C)c1ccccc1 ZINC000638362541 406724107 /nfs/dbraw/zinc/72/41/07/406724107.db2.gz HDMDMWRPZQBLNS-INIZCTEOSA-N 1 3 319.493 2.336 20 0 DEADHO CCC(CC)C[N@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001422926386 1172943260 /nfs/dbraw/zinc/94/32/60/1172943260.db2.gz FAGSLJYUXHEFBH-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CCC(CC)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001422926386 1172943275 /nfs/dbraw/zinc/94/32/75/1172943275.db2.gz FAGSLJYUXHEFBH-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CCC[NH2+][C@@H](C)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000646106021 406783342 /nfs/dbraw/zinc/78/33/42/406783342.db2.gz OZXZQIRLEPBIGA-DOTOQJQBSA-N 1 3 303.450 2.107 20 0 DEADHO C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000554219530 406786691 /nfs/dbraw/zinc/78/66/91/406786691.db2.gz VZBZBGCAGTXKLY-KBPBESRZSA-N 1 3 324.494 2.134 20 0 DEADHO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000646139632 406795917 /nfs/dbraw/zinc/79/59/17/406795917.db2.gz IFSKPZHWUXSSDA-WBVHZDCISA-N 1 3 317.477 2.081 20 0 DEADHO C[C@@H]([NH2+]CCN1CCCC1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000554452082 406799041 /nfs/dbraw/zinc/79/90/41/406799041.db2.gz XJTSOTFTUIPAML-SJLPKXTDSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@@H](NCCN1CCCC1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554452082 406799044 /nfs/dbraw/zinc/79/90/44/406799044.db2.gz XJTSOTFTUIPAML-SJLPKXTDSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@@H](NCCN1CCCC1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554452082 406799049 /nfs/dbraw/zinc/79/90/49/406799049.db2.gz XJTSOTFTUIPAML-SJLPKXTDSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000646253937 406826533 /nfs/dbraw/zinc/82/65/33/406826533.db2.gz AUWBTBGLLNKDTC-CJNGLKHVSA-N 1 3 323.868 2.228 20 0 DEADHO CN(CCCC[NH+]1CCCCC1)C(=O)[C@@H]1CCCN1C1CC1 ZINC000641662947 406867725 /nfs/dbraw/zinc/86/77/25/406867725.db2.gz KLIXHLNEMBDUGN-KRWDZBQOSA-N 1 3 307.482 2.338 20 0 DEADHO COc1ccccc1[C@H](N)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000646603547 406885379 /nfs/dbraw/zinc/88/53/79/406885379.db2.gz OKYLWSZHEJEISI-GDBMZVCRSA-N 1 3 319.449 2.076 20 0 DEADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(O)cc3)CC2)CC1 ZINC000643295916 406976225 /nfs/dbraw/zinc/97/62/25/406976225.db2.gz UBLORAYWAUXNBR-UHFFFAOYSA-N 1 3 317.477 2.384 20 0 DEADHO CCN1CCC([N@H+]2CCCN(Cc3ccc(O)cc3)CC2)CC1 ZINC000643295916 406976230 /nfs/dbraw/zinc/97/62/30/406976230.db2.gz UBLORAYWAUXNBR-UHFFFAOYSA-N 1 3 317.477 2.384 20 0 DEADHO CO[C@@H](CC(C)C)CN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000642699166 406932257 /nfs/dbraw/zinc/93/22/57/406932257.db2.gz YVAGXYKODRDQNN-MSOLQXFVSA-N 1 3 311.514 2.148 20 0 DEADHO CO[C@@H](CC(C)C)CN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000642699166 406932261 /nfs/dbraw/zinc/93/22/61/406932261.db2.gz YVAGXYKODRDQNN-MSOLQXFVSA-N 1 3 311.514 2.148 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC(C)([NH3+])CC1 ZINC000646991976 406936825 /nfs/dbraw/zinc/93/68/25/406936825.db2.gz UXQCYHFXWOHXBZ-UHFFFAOYSA-N 1 3 315.417 2.448 20 0 DEADHO NC(=O)c1csc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647542973 407017168 /nfs/dbraw/zinc/01/71/68/407017168.db2.gz FMSKOZXFEVTCNU-CHWSQXEVSA-N 1 3 307.463 2.059 20 0 DEADHO C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cn(-c2ccccc2)nn1 ZINC000647548612 407018394 /nfs/dbraw/zinc/01/83/94/407018394.db2.gz KSPRUXWWASVJOV-YHUYYLMFSA-N 1 3 311.433 2.306 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647974995 407091623 /nfs/dbraw/zinc/09/16/23/407091623.db2.gz FJZJYWOTMAAGKB-XMTFNYHQSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N(C(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)C(C)C ZINC000647976754 407091904 /nfs/dbraw/zinc/09/19/04/407091904.db2.gz TUISLCWQANAYDH-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO COc1cccc(-c2n[nH]cc2C[NH2+]C[C@H](C)CN(C)C)c1 ZINC000644411859 407124283 /nfs/dbraw/zinc/12/42/83/407124283.db2.gz BSVWPLJGBRYQKM-ZDUSSCGKSA-N 1 3 302.422 2.373 20 0 DEADHO COc1cccc(NC(=O)CCN(C2CC2)C2CC[NH2+]CC2)c1 ZINC000647815131 407056509 /nfs/dbraw/zinc/05/65/09/407056509.db2.gz QHMFVJOODGRUAJ-UHFFFAOYSA-N 1 3 317.433 2.240 20 0 DEADHO COc1cccc(NC(=O)CC[N@H+](C2CC2)C2CCNCC2)c1 ZINC000647815131 407056510 /nfs/dbraw/zinc/05/65/10/407056510.db2.gz QHMFVJOODGRUAJ-UHFFFAOYSA-N 1 3 317.433 2.240 20 0 DEADHO COc1cccc(NC(=O)CC[N@@H+](C2CC2)C2CCNCC2)c1 ZINC000647815131 407056512 /nfs/dbraw/zinc/05/65/12/407056512.db2.gz QHMFVJOODGRUAJ-UHFFFAOYSA-N 1 3 317.433 2.240 20 0 DEADHO CC[C@H](O)C[NH2+]CC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000644531407 407137064 /nfs/dbraw/zinc/13/70/64/407137064.db2.gz UTJAFBSETFPVOG-KRWDZBQOSA-N 1 3 306.450 2.268 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N(CCC)[C@H]2CCN(C)C2)CC1 ZINC000645235669 407251641 /nfs/dbraw/zinc/25/16/41/407251641.db2.gz YPHCEXKCHKLESL-KRWDZBQOSA-N 1 3 324.513 2.377 20 0 DEADHO CC[C@@H]1C[C@@H](NCc2ccncc2OCCC[NH+](C)C)CCO1 ZINC000648589248 407202224 /nfs/dbraw/zinc/20/22/24/407202224.db2.gz BWWZLVKBSJKNMW-DLBZAZTESA-N 1 3 321.465 2.459 20 0 DEADHO CCCN(C(=O)NCC1(C[NH+](C)C)CCCC1)[C@H]1CCN(C)C1 ZINC000645434913 407278778 /nfs/dbraw/zinc/27/87/78/407278778.db2.gz TYOKNIHLLDOQNN-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO Cc1ccccc1CN1CCCN(C(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC000645473268 407283177 /nfs/dbraw/zinc/28/31/77/407283177.db2.gz XOSUWKYAPYSATE-KRWDZBQOSA-N 1 3 315.461 2.029 20 0 DEADHO CC[C@@H]([NH3+])CNC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000418171655 286863688 /nfs/dbraw/zinc/86/36/88/286863688.db2.gz OKFRVIBYOUYPQP-OAHLLOKOSA-N 1 3 310.486 2.069 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000356238619 287264058 /nfs/dbraw/zinc/26/40/58/287264058.db2.gz WKCQRAZUIDIGJV-SJLPKXTDSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000356238619 287264061 /nfs/dbraw/zinc/26/40/61/287264061.db2.gz WKCQRAZUIDIGJV-SJLPKXTDSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCCN1CCC[C@H](C)C1 ZINC000252196969 287267902 /nfs/dbraw/zinc/26/79/02/287267902.db2.gz SNOVSYSRJKGVMZ-DLBZAZTESA-N 1 3 324.513 2.282 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCCN1CCC[C@H](C)C1 ZINC000252196969 287267903 /nfs/dbraw/zinc/26/79/03/287267903.db2.gz SNOVSYSRJKGVMZ-DLBZAZTESA-N 1 3 324.513 2.282 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000423763495 287314472 /nfs/dbraw/zinc/31/44/72/287314472.db2.gz RPQJEOJZVMNFJP-IRXDYDNUSA-N 1 3 321.440 2.104 20 0 DEADHO COc1ccc(F)cc1CNCCCC[N@@H+]1CCC[C@H]1CO ZINC000291161665 222185407 /nfs/dbraw/zinc/18/54/07/222185407.db2.gz IQDVDTSNONOHOU-INIZCTEOSA-N 1 3 310.413 2.161 20 0 DEADHO COc1ccc(F)cc1CNCCCC[N@H+]1CCC[C@H]1CO ZINC000291161665 222185410 /nfs/dbraw/zinc/18/54/10/222185410.db2.gz IQDVDTSNONOHOU-INIZCTEOSA-N 1 3 310.413 2.161 20 0 DEADHO C[C@@](O)(C[NH2+]C1CCN(c2ccncc2)CC1)c1ccco1 ZINC000297572750 227317519 /nfs/dbraw/zinc/31/75/19/227317519.db2.gz HYZLVNZGVDMDMP-QGZVFWFLSA-N 1 3 301.390 2.141 20 0 DEADHO Cc1ccc([C@@H](O)C[NH2+]C2CCN(c3ccncc3)CC2)o1 ZINC000298532663 228612743 /nfs/dbraw/zinc/61/27/43/228612743.db2.gz SGDHXOAEQCILGV-INIZCTEOSA-N 1 3 301.390 2.275 20 0 DEADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](N)c1ccccc1 ZINC000417321052 229008464 /nfs/dbraw/zinc/00/84/64/229008464.db2.gz BBUWXMOCTBSREH-BFYDXBDKSA-N 1 3 318.465 2.106 20 0 DEADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](N)c1ccccc1 ZINC000417321052 229008467 /nfs/dbraw/zinc/00/84/67/229008467.db2.gz BBUWXMOCTBSREH-BFYDXBDKSA-N 1 3 318.465 2.106 20 0 DEADHO C[NH+](C)CC[C@@H](NC(=O)NC[C@@H](N)c1ccccc1)C(C)(C)C ZINC000417678094 229067034 /nfs/dbraw/zinc/06/70/34/229067034.db2.gz IYGUPGZFWVUZNJ-HZPDHXFCSA-N 1 3 320.481 2.352 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000417694250 229070916 /nfs/dbraw/zinc/07/09/16/229070916.db2.gz RUVIADADJVBLFP-LSDHHAIUSA-N 1 3 318.465 2.201 20 0 DEADHO CN(C)C1(CNC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CCC1 ZINC000418054078 229204000 /nfs/dbraw/zinc/20/40/00/229204000.db2.gz DRNAKKUGTWOCTC-HOTGVXAUSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000418141589 229238217 /nfs/dbraw/zinc/23/82/17/229238217.db2.gz WYGQUEHGQHHGMO-UXLLHSPISA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000418141589 229238221 /nfs/dbraw/zinc/23/82/21/229238221.db2.gz WYGQUEHGQHHGMO-UXLLHSPISA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@]1(CNC(=O)N2CCC[C@H]2CN2CCCCC2)CCC[NH2+]C1 ZINC000418541096 229381850 /nfs/dbraw/zinc/38/18/50/229381850.db2.gz NCONVHVMSHFXLU-FUHWJXTLSA-N 1 3 322.497 2.036 20 0 DEADHO CN(C)C1(CN(C)C(=O)NCC[NH2+]C2CCCCCC2)CCC1 ZINC000418472401 229360283 /nfs/dbraw/zinc/36/02/83/229360283.db2.gz WQPGHIASMLDGKU-UHFFFAOYSA-N 1 3 324.513 2.425 20 0 DEADHO Cc1ccc([C@H](CN[C@H](C)C[C@H](C)[NH3+])N2CCOCC2)cc1 ZINC000422709581 230171773 /nfs/dbraw/zinc/17/17/73/230171773.db2.gz KSVYIYWMZRYLAN-JZXOWHBKSA-N 1 3 305.466 2.084 20 0 DEADHO CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2CCCC[C@H]2CN)c1 ZINC000422792084 230211404 /nfs/dbraw/zinc/21/14/04/230211404.db2.gz ZCPTWXNFLLRVHN-DLBZAZTESA-N 1 3 303.450 2.038 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCCCOc1ccc(F)cc1 ZINC000422834335 230234167 /nfs/dbraw/zinc/23/41/67/230234167.db2.gz NSPTZCYKRNUHLJ-JQFCIGGWSA-N 1 3 310.413 2.327 20 0 DEADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)N(C)c1ccccc1 ZINC000422870336 230252756 /nfs/dbraw/zinc/25/27/56/230252756.db2.gz YNUHXCOKFHRXBT-QXCFHYIPSA-N 1 3 317.477 2.258 20 0 DEADHO c1ccc2c(c1)OCC[C@@H]2CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422885222 230259112 /nfs/dbraw/zinc/25/91/12/230259112.db2.gz GLOVVMZWRJFCOE-BZZMCLGOSA-N 1 3 316.445 2.299 20 0 DEADHO CO[C@H](CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])c1cccc(Cl)c1 ZINC000422919369 230277611 /nfs/dbraw/zinc/27/76/11/230277611.db2.gz JSHMPZNJKPRSBF-AEAUEXCSSA-N 1 3 312.841 2.369 20 0 DEADHO Cc1nccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422953984 230293050 /nfs/dbraw/zinc/29/30/50/230293050.db2.gz GTWGOEMXSGOCBC-STQMWFEESA-N 1 3 301.438 2.341 20 0 DEADHO CN(C)CCOc1cccc(N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000400941466 424923565 /nfs/dbraw/zinc/92/35/65/424923565.db2.gz CXYYXQXAPPNGBE-BFYDXBDKSA-N 1 3 303.450 2.427 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)CC1([NH3+])CCC1)c1ccccc1 ZINC000316585467 424898379 /nfs/dbraw/zinc/89/83/79/424898379.db2.gz NHGLLIICAZBGPJ-INIZCTEOSA-N 1 3 303.450 2.457 20 0 DEADHO COc1ccc(CCN[C@@H](C)C[C@@H]2CCC[NH2+]2)c(OC)c1OC ZINC000415087006 424949413 /nfs/dbraw/zinc/94/94/13/424949413.db2.gz SOKRTFQWVURSJS-ZFWWWQNUSA-N 1 3 322.449 2.375 20 0 DEADHO C[C@@H]1CCN(C)CCN1C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416162654 424954826 /nfs/dbraw/zinc/95/48/26/424954826.db2.gz VSIYGQQTXJZPAV-WBVHZDCISA-N 1 3 303.450 2.232 20 0 DEADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649343098 424997744 /nfs/dbraw/zinc/99/77/44/424997744.db2.gz DEXZMCUXFWULBL-CYBMUJFWSA-N 1 3 311.376 2.240 20 0 DEADHO Cc1nsc(N2CCCN(CCCC3CC[NH2+]CC3)CC2)n1 ZINC000649413803 425013242 /nfs/dbraw/zinc/01/32/42/425013242.db2.gz GZKXVDUKUSQHFT-UHFFFAOYSA-N 1 3 323.510 2.138 20 0 DEADHO CCN(CC)C(=O)C[C@@H](C)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663468561 425165631 /nfs/dbraw/zinc/16/56/31/425165631.db2.gz MCUPQQOICKLNPX-WBVHZDCISA-N 1 3 309.498 2.345 20 0 DEADHO CCN(CC)C(=O)C[C@@H](C)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468561 425165637 /nfs/dbraw/zinc/16/56/37/425165637.db2.gz MCUPQQOICKLNPX-WBVHZDCISA-N 1 3 309.498 2.345 20 0 DEADHO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663468561 425165642 /nfs/dbraw/zinc/16/56/42/425165642.db2.gz MCUPQQOICKLNPX-WBVHZDCISA-N 1 3 309.498 2.345 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](C3CCCCC3)C2)C1 ZINC000663503493 425174743 /nfs/dbraw/zinc/17/47/43/425174743.db2.gz NYUOCTWSRDISRX-AEFFLSMTSA-N 1 3 321.509 2.476 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](C3CCCCC3)C2)C1 ZINC000663503493 425174746 /nfs/dbraw/zinc/17/47/46/425174746.db2.gz NYUOCTWSRDISRX-AEFFLSMTSA-N 1 3 321.509 2.476 20 0 DEADHO CCC[N@@H+](Cc1ccccc1F)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000656791632 425191644 /nfs/dbraw/zinc/19/16/44/425191644.db2.gz IKHAYGXGFWHIAI-HNNXBMFYSA-N 1 3 321.440 2.235 20 0 DEADHO CCC[N@H+](Cc1ccccc1F)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000656791632 425191646 /nfs/dbraw/zinc/19/16/46/425191646.db2.gz IKHAYGXGFWHIAI-HNNXBMFYSA-N 1 3 321.440 2.235 20 0 DEADHO Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000660657706 425192777 /nfs/dbraw/zinc/19/27/77/425192777.db2.gz ZRMIBNQWYYPHRS-MJGOQNOKSA-N 1 3 318.461 2.152 20 0 DEADHO Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000660657706 425192782 /nfs/dbraw/zinc/19/27/82/425192782.db2.gz ZRMIBNQWYYPHRS-MJGOQNOKSA-N 1 3 318.461 2.152 20 0 DEADHO CCN(C(=O)NCCC[N@H+](C)C1CCCCC1)[C@@H]1CCN(C)C1 ZINC000663635041 425201792 /nfs/dbraw/zinc/20/17/92/425201792.db2.gz ZGDORNRTATVUKE-QGZVFWFLSA-N 1 3 324.513 2.377 20 0 DEADHO CCN(C(=O)NCCC[N@@H+](C)C1CCCCC1)[C@@H]1CCN(C)C1 ZINC000663635041 425201796 /nfs/dbraw/zinc/20/17/96/425201796.db2.gz ZGDORNRTATVUKE-QGZVFWFLSA-N 1 3 324.513 2.377 20 0 DEADHO COc1cc2nccc(N[C@@H]3CC[N@@H+](C4CC4)C3)c2cc1OC ZINC000663450396 425161470 /nfs/dbraw/zinc/16/14/70/425161470.db2.gz YNOMAEXJZCVILU-GFCCVEGCSA-N 1 3 313.401 2.323 20 0 DEADHO COc1cc2nccc(N[C@@H]3CC[N@H+](C4CC4)C3)c2cc1OC ZINC000663450396 425161473 /nfs/dbraw/zinc/16/14/73/425161473.db2.gz YNOMAEXJZCVILU-GFCCVEGCSA-N 1 3 313.401 2.323 20 0 DEADHO CCN(C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)[C@@H]1CCN(C)C1 ZINC000663787710 425236412 /nfs/dbraw/zinc/23/64/12/425236412.db2.gz KFKRGBJILRGMBB-JKSUJKDBSA-N 1 3 324.513 2.233 20 0 DEADHO CCN(C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)[C@@H]1CCN(C)C1 ZINC000663787710 425236415 /nfs/dbraw/zinc/23/64/15/425236415.db2.gz KFKRGBJILRGMBB-JKSUJKDBSA-N 1 3 324.513 2.233 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCC[N@H+](C)C2CCCCC2)C1 ZINC000663892963 425261343 /nfs/dbraw/zinc/26/13/43/425261343.db2.gz LTEVYBVHTGMDLJ-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCC[N@@H+](C)C2CCCCC2)C1 ZINC000663892963 425261345 /nfs/dbraw/zinc/26/13/45/425261345.db2.gz LTEVYBVHTGMDLJ-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@@H](NC(=O)NC[C@@H]1CCN1C(C)(C)C)C(C)(C)C[NH+](C)C ZINC000660871496 425263295 /nfs/dbraw/zinc/26/32/95/425263295.db2.gz QEZKSTZXHDRETJ-KGLIPLIRSA-N 1 3 312.502 2.135 20 0 DEADHO C[N@@H+]1CC[C@H](NC[C@]2(CO)CCc3ccccc32)[C@@H]2CCC[C@H]21 ZINC000652227560 425217869 /nfs/dbraw/zinc/21/78/69/425217869.db2.gz JXDJVKXTKNZHGN-FFGOWVMKSA-N 1 3 314.473 2.325 20 0 DEADHO C[N@H+]1CC[C@H](NC[C@]2(CO)CCc3ccccc32)[C@@H]2CCC[C@H]21 ZINC000652227560 425217873 /nfs/dbraw/zinc/21/78/73/425217873.db2.gz JXDJVKXTKNZHGN-FFGOWVMKSA-N 1 3 314.473 2.325 20 0 DEADHO CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CCN(C)C1 ZINC000664151971 425316818 /nfs/dbraw/zinc/31/68/18/425316818.db2.gz SMTQJFGNQJIEIP-LSDHHAIUSA-N 1 3 312.502 2.088 20 0 DEADHO CC(C)[NH+](CCNC(=O)N[C@H]1CCCN2CCCC[C@H]12)C(C)C ZINC000654347789 425331415 /nfs/dbraw/zinc/33/14/15/425331415.db2.gz LLSGLYNQUBMHKK-DLBZAZTESA-N 1 3 324.513 2.421 20 0 DEADHO O=C(NCCC[NH+]1CCCCC1)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654355898 425332644 /nfs/dbraw/zinc/33/26/44/425332644.db2.gz GQOKYOHMIVFZCN-DLBZAZTESA-N 1 3 322.497 2.179 20 0 DEADHO C[NH2+]Cc1ccccc1NC(=O)N(C)CCN1CCCCC1 ZINC000652610140 425302398 /nfs/dbraw/zinc/30/23/98/425302398.db2.gz NDUJYUBNHZPTOB-UHFFFAOYSA-N 1 3 304.438 2.356 20 0 DEADHO CC(C)n1cncc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657537542 425358336 /nfs/dbraw/zinc/35/83/36/425358336.db2.gz OGVLBEQHFIRJCX-UHFFFAOYSA-N 1 3 320.481 2.445 20 0 DEADHO C[C@@H](CNC(=O)[C@H]1CCC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000653119636 425411301 /nfs/dbraw/zinc/41/13/01/425411301.db2.gz QKRVWJLVIXZLSB-RDJZCZTQSA-N 1 3 303.450 2.013 20 0 DEADHO CN1CCC(N2CCC([NH2+]C3CC(CF)(CF)C3)CC2)CC1 ZINC000657862059 425411480 /nfs/dbraw/zinc/41/14/80/425411480.db2.gz BTSWKFZYMJTCGY-UHFFFAOYSA-N 1 3 315.452 2.222 20 0 DEADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1nc2c(s1)CCCC2 ZINC000657573805 425368542 /nfs/dbraw/zinc/36/85/42/425368542.db2.gz VESJDXACWFDIDE-AWEZNQCLSA-N 1 3 324.538 2.384 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)C[C@H](C)O1 ZINC000657598254 425373928 /nfs/dbraw/zinc/37/39/28/425373928.db2.gz ZMTPGXBXUQALEX-SFUIVIKGSA-N 1 3 318.461 2.299 20 0 DEADHO C[NH+](C)CCOc1ccc(CNCCO[C@@H]2CC2(F)F)cc1 ZINC000657619594 425377189 /nfs/dbraw/zinc/37/71/89/425377189.db2.gz XSHDPYYMRCMPQH-OAHLLOKOSA-N 1 3 314.376 2.141 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2COC3(CCC3)C2)cc1 ZINC000657630317 425378800 /nfs/dbraw/zinc/37/88/00/425378800.db2.gz BYEBEIFSCDLSLX-INIZCTEOSA-N 1 3 304.434 2.428 20 0 DEADHO C[NH+](C)CCOc1ccc(CN[C@@H]2COC3(CCC3)C2)cc1 ZINC000657630317 425378802 /nfs/dbraw/zinc/37/88/02/425378802.db2.gz BYEBEIFSCDLSLX-INIZCTEOSA-N 1 3 304.434 2.428 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000654567515 425384022 /nfs/dbraw/zinc/38/40/22/425384022.db2.gz NYXIWBLOUQDKLX-OAHLLOKOSA-N 1 3 312.502 2.231 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000654567515 425384026 /nfs/dbraw/zinc/38/40/26/425384026.db2.gz NYXIWBLOUQDKLX-OAHLLOKOSA-N 1 3 312.502 2.231 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654566376 425384347 /nfs/dbraw/zinc/38/43/47/425384347.db2.gz AWUXNNJLJOTFBP-ZACQAIPSSA-N 1 3 324.513 2.423 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654566376 425384352 /nfs/dbraw/zinc/38/43/52/425384352.db2.gz AWUXNNJLJOTFBP-ZACQAIPSSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000661337913 425384746 /nfs/dbraw/zinc/38/47/46/425384746.db2.gz SUPXHTMCZWZLCT-GTPINHCMSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCC[C@@H](C)[NH+](C)C ZINC000664593155 425417400 /nfs/dbraw/zinc/41/74/00/425417400.db2.gz ZIIXRJRXYNFCOI-HZPDHXFCSA-N 1 3 320.481 2.146 20 0 DEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000653148828 425417852 /nfs/dbraw/zinc/41/78/52/425417852.db2.gz MRUOKCFGDVXFML-INIZCTEOSA-N 1 3 321.440 2.106 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCC[C@H](C)[NH+](C)C ZINC000664593153 425418071 /nfs/dbraw/zinc/41/80/71/425418071.db2.gz ZIIXRJRXYNFCOI-CVEARBPZSA-N 1 3 320.481 2.146 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653151591 425419056 /nfs/dbraw/zinc/41/90/56/425419056.db2.gz LKKJUEBKRVOWOG-CQSZACIVSA-N 1 3 309.479 2.028 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCC[C@H](C)[NH+]2CCCCC2)C1 ZINC000664648894 425431766 /nfs/dbraw/zinc/43/17/66/425431766.db2.gz MIIRZRKOOZPWGB-HOTGVXAUSA-N 1 3 310.486 2.034 20 0 DEADHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@@H]3COC4(CCC4)C3)cc2)C1 ZINC000658139031 425444601 /nfs/dbraw/zinc/44/46/01/425444601.db2.gz PYPXJISRKGTPAW-ZWKOTPCHSA-N 1 3 316.445 2.054 20 0 DEADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000661897226 425521139 /nfs/dbraw/zinc/52/11/39/425521139.db2.gz HZEUJGNKEHFGCG-IAGOWNOFSA-N 1 3 324.513 2.138 20 0 DEADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000661897226 425521140 /nfs/dbraw/zinc/52/11/40/425521140.db2.gz HZEUJGNKEHFGCG-IAGOWNOFSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@@H]1CCOC1 ZINC000665253204 425529861 /nfs/dbraw/zinc/52/98/61/425529861.db2.gz KFCADVYSOJTVCS-LSCFUAHRSA-N 1 3 310.388 2.425 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665257784 425531491 /nfs/dbraw/zinc/53/14/91/425531491.db2.gz UWXPFGQZFGVADM-BYNBJNPRSA-N 1 3 317.452 2.344 20 0 DEADHO CCc1ccc([C@H](C)NC2CCN(C(=O)CCC[NH2+]C)CC2)o1 ZINC000665287972 425536634 /nfs/dbraw/zinc/53/66/34/425536634.db2.gz ZRHIVJNGMMDCGM-AWEZNQCLSA-N 1 3 321.465 2.483 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000655351053 425542019 /nfs/dbraw/zinc/54/20/19/425542019.db2.gz KHCMZFXJUYQXGK-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000665360879 425552317 /nfs/dbraw/zinc/55/23/17/425552317.db2.gz FGJREUYQULNDFS-GDBMZVCRSA-N 1 3 324.513 2.231 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCN2C(C)(C)C)[C@@H](C)C1 ZINC000665363344 425553382 /nfs/dbraw/zinc/55/33/82/425553382.db2.gz XUDZZKKRZYKLSF-XHSDSOJGSA-N 1 3 324.513 2.231 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCN2C(C)(C)C)[C@@H](C)C1 ZINC000665363344 425553387 /nfs/dbraw/zinc/55/33/87/425553387.db2.gz XUDZZKKRZYKLSF-XHSDSOJGSA-N 1 3 324.513 2.231 20 0 DEADHO CC(C)(C)N1CC[C@H]1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000665367135 425554480 /nfs/dbraw/zinc/55/44/80/425554480.db2.gz QVCKJUXROPBWLQ-JKSUJKDBSA-N 1 3 322.497 2.129 20 0 DEADHO C[N@H+](CCCNC(=O)C1(N)CC2(CCC2)C1)Cc1ccccc1 ZINC000659285209 425568470 /nfs/dbraw/zinc/56/84/70/425568470.db2.gz QEDLCWAFHVBMOI-UHFFFAOYSA-N 1 3 315.461 2.286 20 0 DEADHO C[N@@H+](CCCNC(=O)C1(N)CC2(CCC2)C1)Cc1ccccc1 ZINC000659285209 425568474 /nfs/dbraw/zinc/56/84/74/425568474.db2.gz QEDLCWAFHVBMOI-UHFFFAOYSA-N 1 3 315.461 2.286 20 0 DEADHO Cc1ccc(NC(=O)[C@H]2C[C@]23CCC[NH2+]C3)c(CN(C)C)c1 ZINC000655448353 425570533 /nfs/dbraw/zinc/57/05/33/425570533.db2.gz GCSAKVDJYUJAKO-QAPCUYQASA-N 1 3 301.434 2.385 20 0 DEADHO Cc1cc(CN(C)C)cc(NC(=O)[C@H]2C[C@]23CCC[NH2+]C3)c1 ZINC000655469971 425575287 /nfs/dbraw/zinc/57/52/87/425575287.db2.gz GFKQYEWOELGKIJ-AEFFLSMTSA-N 1 3 301.434 2.385 20 0 DEADHO CC1(C)CCC[NH2+][C@H]1C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659363924 425585407 /nfs/dbraw/zinc/58/54/07/425585407.db2.gz CZJFYRXYCHWTBQ-CVEARBPZSA-N 1 3 317.433 2.064 20 0 DEADHO CC(C)(C)N1CC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000665557597 425595540 /nfs/dbraw/zinc/59/55/40/425595540.db2.gz ZKYBMDCQDSRLPP-HOTGVXAUSA-N 1 3 322.497 2.129 20 0 DEADHO C[NH+](C)CCC1CCN(C(=O)N[C@H]2CCN(C(C)(C)C)C2)CC1 ZINC000665556828 425595587 /nfs/dbraw/zinc/59/55/87/425595587.db2.gz FSSIHMQBBXOYRZ-INIZCTEOSA-N 1 3 324.513 2.233 20 0 DEADHO c1ccc(OCC2CC[NH+](C[C@@H]3CCC4(CNC4)O3)CC2)cc1 ZINC000662252640 425602934 /nfs/dbraw/zinc/60/29/34/425602934.db2.gz CPSAAMJPFHLPPO-SFHVURJKSA-N 1 3 316.445 2.298 20 0 DEADHO Cc1nc2c(s1)[C@@H](N(C)C[C@@H]1CCC3(C[NH2+]C3)O1)CCC2 ZINC000662263216 425605622 /nfs/dbraw/zinc/60/56/22/425605622.db2.gz LGDSXFDGLBRNIB-JSGCOSHPSA-N 1 3 307.463 2.282 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C[C@H]2CCC3(CNC3)O2)C1 ZINC000662261445 425606220 /nfs/dbraw/zinc/60/62/20/425606220.db2.gz YPICDFCSZNTVOX-KZNAEPCWSA-N 1 3 321.509 2.094 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C[C@H]2CCC3(CNC3)O2)C1 ZINC000662261445 425606223 /nfs/dbraw/zinc/60/62/23/425606223.db2.gz YPICDFCSZNTVOX-KZNAEPCWSA-N 1 3 321.509 2.094 20 0 DEADHO C[NH2+]C[C@H](C)NC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000659454903 425607367 /nfs/dbraw/zinc/60/73/67/425607367.db2.gz PSGFPUWIWFFCCZ-KBPBESRZSA-N 1 3 306.454 2.023 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC(C)(C1CC1)C1CC1 ZINC000665764060 425642831 /nfs/dbraw/zinc/64/28/31/425642831.db2.gz SVLRDECZYUBDGM-AWEZNQCLSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC(C)(C1CC1)C1CC1 ZINC000665764060 425642837 /nfs/dbraw/zinc/64/28/37/425642837.db2.gz SVLRDECZYUBDGM-AWEZNQCLSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662422378 425646914 /nfs/dbraw/zinc/64/69/14/425646914.db2.gz VGNRMCLXLGKCJF-YJBOKZPZSA-N 1 3 315.461 2.458 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662422378 425646917 /nfs/dbraw/zinc/64/69/17/425646917.db2.gz VGNRMCLXLGKCJF-YJBOKZPZSA-N 1 3 315.461 2.458 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000662426394 425648715 /nfs/dbraw/zinc/64/87/15/425648715.db2.gz RVXHBHSGYPCFMA-HIFRSBDPSA-N 1 3 309.479 2.074 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662439463 425651303 /nfs/dbraw/zinc/65/13/03/425651303.db2.gz CFNWVQWCJHJXAZ-SJORKVTESA-N 1 3 303.450 2.224 20 0 DEADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cc2c(s1)CCNC2 ZINC000662450216 425654643 /nfs/dbraw/zinc/65/46/43/425654643.db2.gz LBJIYICESSXDTJ-BETUJISGSA-N 1 3 321.490 2.387 20 0 DEADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cc2c(s1)CCNC2 ZINC000662450216 425654644 /nfs/dbraw/zinc/65/46/44/425654644.db2.gz LBJIYICESSXDTJ-BETUJISGSA-N 1 3 321.490 2.387 20 0 DEADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H]1NCc2ccccc21 ZINC000662454629 425655090 /nfs/dbraw/zinc/65/50/90/425655090.db2.gz PFCJXOXKKJJIBP-DOTOQJQBSA-N 1 3 301.434 2.212 20 0 DEADHO CC[N@H+]1CCCC[C@H]1CNC(=O)C[C@H]1NCc2ccccc21 ZINC000662454629 425655094 /nfs/dbraw/zinc/65/50/94/425655094.db2.gz PFCJXOXKKJJIBP-DOTOQJQBSA-N 1 3 301.434 2.212 20 0 DEADHO CC(C)C[C@H](C[NH3+])CC(=O)NCc1cccc(CN(C)C)c1 ZINC000662526040 425674751 /nfs/dbraw/zinc/67/47/51/425674751.db2.gz OZWMMYPWHNFBHZ-KRWDZBQOSA-N 1 3 305.466 2.376 20 0 DEADHO C[NH2+]C[C@@H](C)NC(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000659483250 425613111 /nfs/dbraw/zinc/61/31/11/425613111.db2.gz VUOMBHOOFDURDI-NVXWUHKLSA-N 1 3 320.481 2.050 20 0 DEADHO C[C@H]1[C@@H](NC(=O)N(C)CC(C)(C)[NH3+])CCN1Cc1ccccc1 ZINC000659492562 425615352 /nfs/dbraw/zinc/61/53/52/425615352.db2.gz GFYJEABIEGFBQP-HOCLYGCPSA-N 1 3 318.465 2.028 20 0 DEADHO CCC(CC)NC(=O)[C@H](C)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662299099 425617677 /nfs/dbraw/zinc/61/76/77/425617677.db2.gz ZPBXSILYWKOEOW-GOEBONIOSA-N 1 3 309.498 2.391 20 0 DEADHO COc1ccc(NC(=O)CN2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000662313347 425621353 /nfs/dbraw/zinc/62/13/53/425621353.db2.gz KWSJZDLNDUBDCA-RHSMWYFYSA-N 1 3 319.449 2.473 20 0 DEADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cccc2c1C[NH2+]C2 ZINC000662341095 425628051 /nfs/dbraw/zinc/62/80/51/425628051.db2.gz LGLMYJUIMLOIDR-KRWDZBQOSA-N 1 3 321.424 2.294 20 0 DEADHO CC(C)C[C@@H](C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)N(C)C ZINC000655686368 425628720 /nfs/dbraw/zinc/62/87/20/425628720.db2.gz FBSRGPRUCPJEMD-ZWKOTPCHSA-N 1 3 311.514 2.196 20 0 DEADHO CCN1CCC(NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC1 ZINC000662365950 425634320 /nfs/dbraw/zinc/63/43/20/425634320.db2.gz YHHFFVFSGVIFSM-INIZCTEOSA-N 1 3 315.461 2.279 20 0 DEADHO CC[C@H]1CCCCN1CC[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000655711646 425634594 /nfs/dbraw/zinc/63/45/94/425634594.db2.gz KFPNXBSUNRCZAZ-RBUKOAKNSA-N 1 3 323.525 2.484 20 0 DEADHO C[C@@H](CNC(=O)c1cccc2c1CNC2)[N@@H+]1CCC[C@H](C)C1 ZINC000662387302 425638687 /nfs/dbraw/zinc/63/86/87/425638687.db2.gz KJHOQUNQDKSWGD-KBPBESRZSA-N 1 3 301.434 2.140 20 0 DEADHO C[C@@H](CNC(=O)c1cccc2c1CNC2)[N@H+]1CCC[C@H](C)C1 ZINC000662387302 425638692 /nfs/dbraw/zinc/63/86/92/425638692.db2.gz KJHOQUNQDKSWGD-KBPBESRZSA-N 1 3 301.434 2.140 20 0 DEADHO CC(C)C(C)(C)CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665761467 425640914 /nfs/dbraw/zinc/64/09/14/425640914.db2.gz FFQZYALDMWNDIA-HNNXBMFYSA-N 1 3 314.518 2.240 20 0 DEADHO CC(C)C(C)(C)CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665761467 425640917 /nfs/dbraw/zinc/64/09/17/425640917.db2.gz FFQZYALDMWNDIA-HNNXBMFYSA-N 1 3 314.518 2.240 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C1CC1)C1CCCC1 ZINC000665759745 425641052 /nfs/dbraw/zinc/64/10/52/425641052.db2.gz OAORRDYTUWCFOV-HNNXBMFYSA-N 1 3 324.513 2.375 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C1CC1)C1CCCC1 ZINC000665759745 425641053 /nfs/dbraw/zinc/64/10/53/425641053.db2.gz OAORRDYTUWCFOV-HNNXBMFYSA-N 1 3 324.513 2.375 20 0 DEADHO CC(C)CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C(C)C ZINC000665757245 425641268 /nfs/dbraw/zinc/64/12/68/425641268.db2.gz CYVLIKZYUHDOQL-INIZCTEOSA-N 1 3 314.518 2.334 20 0 DEADHO CC(C)CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C(C)C ZINC000665757245 425641272 /nfs/dbraw/zinc/64/12/72/425641272.db2.gz CYVLIKZYUHDOQL-INIZCTEOSA-N 1 3 314.518 2.334 20 0 DEADHO C[C@@H](C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)N1CCCCCC1 ZINC000662598572 425690101 /nfs/dbraw/zinc/69/01/01/425690101.db2.gz WGMZYYJSGMWKLG-FUHWJXTLSA-N 1 3 321.509 2.489 20 0 DEADHO COc1ccccc1[C@@H]1CC[N@H+](C[C@H](O)CN(C)C(C)C)C1 ZINC000659943647 425695367 /nfs/dbraw/zinc/69/53/67/425695367.db2.gz DPCNLRGKTKARTI-HZPDHXFCSA-N 1 3 306.450 2.186 20 0 DEADHO COc1ccccc1[C@@H]1CC[N@@H+](C[C@H](O)CN(C)C(C)C)C1 ZINC000659943647 425695370 /nfs/dbraw/zinc/69/53/70/425695370.db2.gz DPCNLRGKTKARTI-HZPDHXFCSA-N 1 3 306.450 2.186 20 0 DEADHO CC(C)[NH2+]CCC(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000662658931 425705040 /nfs/dbraw/zinc/70/50/40/425705040.db2.gz MRTVFKFXEZHGCM-SFHVURJKSA-N 1 3 317.477 2.150 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000662658146 425705124 /nfs/dbraw/zinc/70/51/24/425705124.db2.gz BTQALDQCAXAQAW-AEFFLSMTSA-N 1 3 317.477 2.150 20 0 DEADHO C[N@H+](CCNC(=O)c1cccc2c1CCNC2)C1CCCCC1 ZINC000662681189 425713025 /nfs/dbraw/zinc/71/30/25/425713025.db2.gz WPMGLGIXYMAFPT-UHFFFAOYSA-N 1 3 315.461 2.327 20 0 DEADHO C[N@@H+](CCNC(=O)c1cccc2c1CCNC2)C1CCCCC1 ZINC000662681189 425713030 /nfs/dbraw/zinc/71/30/30/425713030.db2.gz WPMGLGIXYMAFPT-UHFFFAOYSA-N 1 3 315.461 2.327 20 0 DEADHO C[C@H](CC(=O)N[C@@H]1CCCN2CCCC[C@H]12)C1CC[NH2+]CC1 ZINC000662836795 425744798 /nfs/dbraw/zinc/74/47/98/425744798.db2.gz DMGCHALXPIRCLM-DJIMGWMZSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200879 425729798 /nfs/dbraw/zinc/72/97/98/425729798.db2.gz WUQXYPJYAWRHLL-LVEJAMMSSA-N 1 3 319.493 2.032 20 0 DEADHO C[NH2+]C[C@H](C)NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000662966121 425767939 /nfs/dbraw/zinc/76/79/39/425767939.db2.gz PLYMERXNUIVQMX-JKSUJKDBSA-N 1 3 317.477 2.054 20 0 DEADHO CC(C)N(C)C[C@H](O)C[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000660244058 425774030 /nfs/dbraw/zinc/77/40/30/425774030.db2.gz CSORLZFGZCJKBV-SFHVURJKSA-N 1 3 322.497 2.076 20 0 DEADHO CC1(C)CN(C(=O)CN)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000663019055 425779752 /nfs/dbraw/zinc/77/97/52/425779752.db2.gz GKFZAXCMMBSWRC-SFHVURJKSA-N 1 3 315.461 2.094 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000660325314 425792855 /nfs/dbraw/zinc/79/28/55/425792855.db2.gz VOGRDZBAWAYFQW-KRWDZBQOSA-N 1 3 318.465 2.032 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cccc3c2CCNC3)C1 ZINC000662846550 425749289 /nfs/dbraw/zinc/74/92/89/425749289.db2.gz RGUAMGOFWJKRGG-AWEZNQCLSA-N 1 3 315.461 2.183 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cccc3c2CCNC3)C1 ZINC000662846550 425749292 /nfs/dbraw/zinc/74/92/92/425749292.db2.gz RGUAMGOFWJKRGG-AWEZNQCLSA-N 1 3 315.461 2.183 20 0 DEADHO CN(c1ccccc1CNCCOCCF)C1CC[NH+](C)CC1 ZINC000663340218 425830145 /nfs/dbraw/zinc/83/01/45/425830145.db2.gz LUMPRCYIWKRSTE-UHFFFAOYSA-N 1 3 323.456 2.293 20 0 DEADHO CCC(CC)(C[NH3+])C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000390009799 269097414 /nfs/dbraw/zinc/09/74/14/269097414.db2.gz YOONZFXHWLLEKT-DOTOQJQBSA-N 1 3 317.477 2.388 20 0 DEADHO C[C@@H](CNC(=O)[C@H]1[NH2+]CCCC1(C)C)N(C)Cc1ccccc1 ZINC000390725901 269098281 /nfs/dbraw/zinc/09/82/81/269098281.db2.gz RCGFQAFHKJREFD-DOTOQJQBSA-N 1 3 317.477 2.401 20 0 DEADHO CN(C(=O)C[C@@H]1CCC[C@H]1[NH3+])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000405294322 269112970 /nfs/dbraw/zinc/11/29/70/269112970.db2.gz JUYFYRVEJJUNLM-RCCFBDPRSA-N 1 3 315.461 2.237 20 0 DEADHO CN1C[C@@H](CN2CCC(CCC[NH+]3CCCC3)CC2)OC1=O ZINC000495657024 269165318 /nfs/dbraw/zinc/16/53/18/269165318.db2.gz ZULZPZLYHSCJHH-INIZCTEOSA-N 1 3 309.454 2.025 20 0 DEADHO C[C@@H]([NH2+]CCCN1CCCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495749172 269174672 /nfs/dbraw/zinc/17/46/72/269174672.db2.gz LJBOILMZZIQUEE-CQSZACIVSA-N 1 3 311.470 2.317 20 0 DEADHO CN(CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)C(=O)OC(C)(C)C ZINC000496366715 269214944 /nfs/dbraw/zinc/21/49/44/269214944.db2.gz RLZBIOXDINEGBE-KFWWJZLASA-N 1 3 311.470 2.316 20 0 DEADHO CN(CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)C(=O)OC(C)(C)C ZINC000496366715 269214945 /nfs/dbraw/zinc/21/49/45/269214945.db2.gz RLZBIOXDINEGBE-KFWWJZLASA-N 1 3 311.470 2.316 20 0 DEADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000514722161 269329207 /nfs/dbraw/zinc/32/92/07/269329207.db2.gz SUBVIEJIQJCSSV-PELKAZGASA-N 1 3 301.312 2.101 20 0 DEADHO N[C@H](CNC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccccc1 ZINC000515048139 269341904 /nfs/dbraw/zinc/34/19/04/269341904.db2.gz UWHISOITVOISFG-QGZVFWFLSA-N 1 3 316.449 2.003 20 0 DEADHO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC(CC[NH3+])CC1 ZINC000517241025 269380947 /nfs/dbraw/zinc/38/09/47/269380947.db2.gz PLEBMDCJHNTBDR-INIZCTEOSA-N 1 3 317.477 2.403 20 0 DEADHO CC(C)N1CCN(c2cccc(NC(=O)CCCC[NH3+])c2)CC1 ZINC000518180042 269397582 /nfs/dbraw/zinc/39/75/82/269397582.db2.gz PPSOEGYRTYSUKE-UHFFFAOYSA-N 1 3 318.465 2.285 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000418353322 275749018 /nfs/dbraw/zinc/74/90/18/275749018.db2.gz NFEUBAHZGZHGNR-IAOVAPTHSA-N 1 3 318.465 2.236 20 0 DEADHO CCC[C@](C)([NH3+])C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000353440293 276051613 /nfs/dbraw/zinc/05/16/13/276051613.db2.gz NKSSUVMSRPZBSF-HFTRVMKXSA-N 1 3 303.450 2.456 20 0 DEADHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000083214673 276072799 /nfs/dbraw/zinc/07/27/99/276072799.db2.gz NFYKJESXZBSMBV-ZDUSSCGKSA-N 1 3 322.428 2.010 20 0 DEADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000083214673 276072800 /nfs/dbraw/zinc/07/28/00/276072800.db2.gz NFYKJESXZBSMBV-ZDUSSCGKSA-N 1 3 322.428 2.010 20 0 DEADHO CCN(CCNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000245391656 276346650 /nfs/dbraw/zinc/34/66/50/276346650.db2.gz RBMWMKDFVSGDPF-MRXNPFEDSA-N 1 3 324.513 2.282 20 0 DEADHO CCN(CCNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000245391656 276346651 /nfs/dbraw/zinc/34/66/51/276346651.db2.gz RBMWMKDFVSGDPF-MRXNPFEDSA-N 1 3 324.513 2.282 20 0 DEADHO CCn1nnc(C)c1CNCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000449084800 276721095 /nfs/dbraw/zinc/72/10/95/276721095.db2.gz YVWAGYOYZKLSPE-GJZGRUSLSA-N 1 3 307.486 2.454 20 0 DEADHO CN1CCCN(CCC[NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000268888919 277051567 /nfs/dbraw/zinc/05/15/67/277051567.db2.gz ONXRIWWDKMGJQM-SFHVURJKSA-N 1 3 305.441 2.430 20 0 DEADHO C[C@@H](CCCC[NH3+])NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000416804444 277562207 /nfs/dbraw/zinc/56/22/07/277562207.db2.gz JZVALWQXHVSNLW-GOEBONIOSA-N 1 3 306.454 2.106 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCCN(C)C2CC2)C1 ZINC000352666278 278002518 /nfs/dbraw/zinc/00/25/18/278002518.db2.gz VHPRDMKGWQTFHT-IYBDPMFKSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCCN(C)C2CC2)C1 ZINC000352666278 278002520 /nfs/dbraw/zinc/00/25/20/278002520.db2.gz VHPRDMKGWQTFHT-IYBDPMFKSA-N 1 3 324.513 2.138 20 0 DEADHO COc1ccccc1-n1nccc1CNCC1=CC[N@H+](C)CC1 ZINC000280841229 278045241 /nfs/dbraw/zinc/04/52/41/278045241.db2.gz BVTLACGECULQRB-UHFFFAOYSA-N 1 3 312.417 2.232 20 0 DEADHO COc1ccccc1-n1nccc1CNCC1=CC[N@@H+](C)CC1 ZINC000280841229 278045242 /nfs/dbraw/zinc/04/52/42/278045242.db2.gz BVTLACGECULQRB-UHFFFAOYSA-N 1 3 312.417 2.232 20 0 DEADHO CS[C@H](CO)[C@H](C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000154178251 278160057 /nfs/dbraw/zinc/16/00/57/278160057.db2.gz YZJOUCJCDRGDMW-XJKSGUPXSA-N 1 3 300.512 2.486 20 0 DEADHO CS[C@H](CO)[C@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000154178251 278160058 /nfs/dbraw/zinc/16/00/58/278160058.db2.gz YZJOUCJCDRGDMW-XJKSGUPXSA-N 1 3 300.512 2.486 20 0 DEADHO C[C@H](CC[NH3+])NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000418539204 278171258 /nfs/dbraw/zinc/17/12/58/278171258.db2.gz FKNKCFFUNUYZSR-OAHLLOKOSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@H](CNC(=O)C[C@H](N)c1ccccc1)C[NH+]1CCCCC1 ZINC000237416405 278197966 /nfs/dbraw/zinc/19/79/66/278197966.db2.gz LLZHRZNJJJWWST-WBVHZDCISA-N 1 3 303.450 2.315 20 0 DEADHO C[C@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)N(C)C1CC1 ZINC000175732578 278202144 /nfs/dbraw/zinc/20/21/44/278202144.db2.gz HDHHYTQMMJACPU-CQSZACIVSA-N 1 3 322.497 2.175 20 0 DEADHO CC(C)C1CCC(N2CCN(C(=O)NC[C@@H](C)C[NH3+])CC2)CC1 ZINC000418471069 278709183 /nfs/dbraw/zinc/70/91/83/278709183.db2.gz LVOOIWGYBLVISV-GTPINHCMSA-N 1 3 324.513 2.123 20 0 DEADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000349665747 279093353 /nfs/dbraw/zinc/09/33/53/279093353.db2.gz JHJPLXXEVRGCKC-JKSUJKDBSA-N 1 3 312.502 2.233 20 0 DEADHO CCN(CCNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)C1CC1 ZINC000172577404 279193824 /nfs/dbraw/zinc/19/38/24/279193824.db2.gz VFQIIDPJNYSIFZ-UHFFFAOYSA-N 1 3 322.497 2.131 20 0 DEADHO CCN(CCNC(=O)N1CCC[N@H+](C2CCCC2)CC1)C1CC1 ZINC000172577404 279193826 /nfs/dbraw/zinc/19/38/26/279193826.db2.gz VFQIIDPJNYSIFZ-UHFFFAOYSA-N 1 3 322.497 2.131 20 0 DEADHO C[C@H](CC(N)=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453138328 279250048 /nfs/dbraw/zinc/25/00/48/279250048.db2.gz JAYDAUDOXPKELH-BZZMCLGOSA-N 1 3 315.461 2.283 20 0 DEADHO C[C@H](CC(N)=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453138328 279250050 /nfs/dbraw/zinc/25/00/50/279250050.db2.gz JAYDAUDOXPKELH-BZZMCLGOSA-N 1 3 315.461 2.283 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000417586314 279279605 /nfs/dbraw/zinc/27/96/05/279279605.db2.gz QQIMUQISOPJUPT-IRXDYDNUSA-N 1 3 322.497 2.034 20 0 DEADHO CCN1CCCN(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000130940647 279285417 /nfs/dbraw/zinc/28/54/17/279285417.db2.gz TXRWBUAMYKNOHI-KRWDZBQOSA-N 1 3 324.513 2.092 20 0 DEADHO CCN1CCCN(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000130940647 279285419 /nfs/dbraw/zinc/28/54/19/279285419.db2.gz TXRWBUAMYKNOHI-KRWDZBQOSA-N 1 3 324.513 2.092 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000340940370 279311141 /nfs/dbraw/zinc/31/11/41/279311141.db2.gz RCXZRUCQLGTKJQ-HRCADAONSA-N 1 3 310.486 2.033 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000340940370 279311142 /nfs/dbraw/zinc/31/11/42/279311142.db2.gz RCXZRUCQLGTKJQ-HRCADAONSA-N 1 3 310.486 2.033 20 0 DEADHO CC[C@@H](C)[C@@H](C)N(CC(=O)NC1CC[NH+](CC)CC1)C1CC1 ZINC000104966209 280115656 /nfs/dbraw/zinc/11/56/56/280115656.db2.gz CEYWEXZEDKCVPC-HUUCEWRRSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([NH+](C)C)CC1)N1CCCCC1 ZINC000365310578 280146450 /nfs/dbraw/zinc/14/64/50/280146450.db2.gz RWOPAUYAFVODJN-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO O=C(c1ccc2c(c1)CNC2)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000347499462 280195249 /nfs/dbraw/zinc/19/52/49/280195249.db2.gz KSVQCUJBURJXBC-UHFFFAOYSA-N 1 3 313.445 2.380 20 0 DEADHO O=C(c1ccc2c(c1)CNC2)N1CCC[N@H+](C2CCCC2)CC1 ZINC000347499462 280195252 /nfs/dbraw/zinc/19/52/52/280195252.db2.gz KSVQCUJBURJXBC-UHFFFAOYSA-N 1 3 313.445 2.380 20 0 DEADHO O=C1Nc2ccccc2CC[C@@H]1N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420319520 280303882 /nfs/dbraw/zinc/30/38/82/280303882.db2.gz AKCASQQRGYWFFT-NUJGCVRESA-N 1 3 313.445 2.261 20 0 DEADHO Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000415093929 280926780 /nfs/dbraw/zinc/92/67/80/280926780.db2.gz CVVHTMWNHHGCNH-OWCLPIDISA-N 1 3 324.490 2.135 20 0 DEADHO C[C@@H](NC(C)(C)CNC(=O)C[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000130694508 281946373 /nfs/dbraw/zinc/94/63/73/281946373.db2.gz PZZVDHNDIZFTAE-HUUCEWRRSA-N 1 3 303.450 2.232 20 0 DEADHO CN(C)C(=O)[C@H](c1ccccc1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357070307 281987016 /nfs/dbraw/zinc/98/70/16/281987016.db2.gz GDOIYQLHDKKWTI-ROUUACIJSA-N 1 3 315.461 2.137 20 0 DEADHO C[NH+](C)C1(CNC(=O)c2ccc3c(c2)CNC3)CCCCC1 ZINC000262044345 282042711 /nfs/dbraw/zinc/04/27/11/282042711.db2.gz CGKAXDUQVPOLDQ-UHFFFAOYSA-N 1 3 301.434 2.284 20 0 DEADHO CCC(CC)(C[NH3+])C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000261550844 282072735 /nfs/dbraw/zinc/07/27/35/282072735.db2.gz PTFSYMMXDGDZOH-OAHLLOKOSA-N 1 3 305.466 2.388 20 0 DEADHO CN(C)CC(C)(C)NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000458734813 289078255 /nfs/dbraw/zinc/07/82/55/289078255.db2.gz NBBRXTOUYRYZHQ-MRXNPFEDSA-N 1 3 324.513 2.423 20 0 DEADHO CN(C)CC(C)(C)NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000458734813 289078257 /nfs/dbraw/zinc/07/82/57/289078257.db2.gz NBBRXTOUYRYZHQ-MRXNPFEDSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CCCN(C2CCCC2)CC1 ZINC000263224773 289190221 /nfs/dbraw/zinc/19/02/21/289190221.db2.gz MQFLSAULCGJRBK-FUHWJXTLSA-N 1 3 307.482 2.371 20 0 DEADHO CN(CCN(C)C1CC1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416209877 289274578 /nfs/dbraw/zinc/27/45/78/289274578.db2.gz NFJPNSGANZMAKM-KRWDZBQOSA-N 1 3 303.450 2.232 20 0 DEADHO C[NH+](C)[C@@H](CNC(=O)[C@@H](CN)c1ccccc1)C1CCCCC1 ZINC000237139579 289284654 /nfs/dbraw/zinc/28/46/54/289284654.db2.gz NLIYIBCAYVABEE-ROUUACIJSA-N 1 3 317.477 2.356 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC(C)(C)N1CCCCC1 ZINC000416834284 289775104 /nfs/dbraw/zinc/77/51/04/289775104.db2.gz RZFGFRQSFHHXGU-GJZGRUSLSA-N 1 3 310.486 2.162 20 0 DEADHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CCCC34CCOCC4)C2)CC1 ZINC000370298775 289882816 /nfs/dbraw/zinc/88/28/16/289882816.db2.gz QKGUQRZIYTYPEA-FUHWJXTLSA-N 1 3 321.509 2.094 20 0 DEADHO CN1CC[C@]2(CCN(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)C2)C1 ZINC000366095580 290248114 /nfs/dbraw/zinc/24/81/14/290248114.db2.gz XAJGZTIWARRLDB-SFHVURJKSA-N 1 3 322.497 2.033 20 0 DEADHO COc1ccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)N)cc1 ZINC000422947137 295101695 /nfs/dbraw/zinc/10/16/95/295101695.db2.gz PUGNFYDBSZITJV-XOKHGSTOSA-N 1 3 306.450 2.315 20 0 DEADHO COc1ccc(C(C)(C)CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000422947137 295101696 /nfs/dbraw/zinc/10/16/96/295101696.db2.gz PUGNFYDBSZITJV-XOKHGSTOSA-N 1 3 306.450 2.315 20 0 DEADHO COc1ccc2c(c1)[C@H](NCCN1CC[NH2+]CC1)CCCS2 ZINC000423208300 295274334 /nfs/dbraw/zinc/27/43/34/295274334.db2.gz SSIPEFXVIXKQHB-MRXNPFEDSA-N 1 3 321.490 2.117 20 0 DEADHO C[C@H](C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1)N1CCCCCC1 ZINC000423958369 298024729 /nfs/dbraw/zinc/02/47/29/298024729.db2.gz BARNWHCSXCKZKC-IKGGRYGDSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H](C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C)N1CCCCCC1 ZINC000346153165 298083771 /nfs/dbraw/zinc/08/37/71/298083771.db2.gz FRVCRDXKUDLLRN-ZACQAIPSSA-N 1 3 307.482 2.336 20 0 DEADHO Cc1cc(C[N@H+](C)CCCN(C)C(=O)CN2CCCC2)cs1 ZINC001424333459 1173764282 /nfs/dbraw/zinc/76/42/82/1173764282.db2.gz WAPLAMSSIQHVHT-UHFFFAOYSA-N 1 3 323.506 2.433 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NCc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000572879381 325993539 /nfs/dbraw/zinc/99/35/39/325993539.db2.gz CONFAVIICPVERR-QWRGUYRKSA-N 1 3 302.378 2.021 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC000574079220 326121030 /nfs/dbraw/zinc/12/10/30/326121030.db2.gz CFZPNRDJMNEOPK-GOSISDBHSA-N 1 3 315.461 2.110 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000574179863 326131147 /nfs/dbraw/zinc/13/11/47/326131147.db2.gz IQSMLCQMKFPTDJ-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000574391208 326149847 /nfs/dbraw/zinc/14/98/47/326149847.db2.gz PDMKGWULYWLOET-RZFFKMDDSA-N 1 3 320.437 2.145 20 0 DEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000574391208 326149848 /nfs/dbraw/zinc/14/98/48/326149848.db2.gz PDMKGWULYWLOET-RZFFKMDDSA-N 1 3 320.437 2.145 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)CC1 ZINC000574635035 326172905 /nfs/dbraw/zinc/17/29/05/326172905.db2.gz XBGACFBXJBRZLN-OALUTQOASA-N 1 3 323.525 2.294 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H]2[C@H]2CCCOC2)CC1 ZINC000574635035 326172906 /nfs/dbraw/zinc/17/29/06/326172906.db2.gz XBGACFBXJBRZLN-OALUTQOASA-N 1 3 323.525 2.294 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)CN[C@@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000576389730 326290003 /nfs/dbraw/zinc/29/00/03/326290003.db2.gz AMXRUFBHLFCADW-KBAYOESNSA-N 1 3 320.477 2.424 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000576389730 326290004 /nfs/dbraw/zinc/29/00/04/326290004.db2.gz AMXRUFBHLFCADW-KBAYOESNSA-N 1 3 320.477 2.424 20 0 DEADHO C[C@H](CCCc1cccnc1)[NH2+]CCCCN1CCN(C)CC1 ZINC000576467555 326295943 /nfs/dbraw/zinc/29/59/43/326295943.db2.gz ICLNUGDDJPTXSE-GOSISDBHSA-N 1 3 318.509 2.410 20 0 DEADHO C[C@H](NC(=O)N1CCC[C@@H](C[NH3+])C1)[C@@H](c1ccccc1)N(C)C ZINC000577208111 326350254 /nfs/dbraw/zinc/35/02/54/326350254.db2.gz ISAWZEMSHUJYEI-ZOBUZTSGSA-N 1 3 318.465 2.058 20 0 DEADHO C[NH+](C)CCOc1cccc(CNC[C@@](C)(O)C(F)(F)F)c1 ZINC000582601764 337112037 /nfs/dbraw/zinc/11/20/37/337112037.db2.gz UBRDZFKEBIFUCX-CQSZACIVSA-N 1 3 320.355 2.030 20 0 DEADHO Cc1cccc(OC[C@@H](O)C[NH2+]C[C@H](C)CN2CCCCC2)c1 ZINC000582601380 337112041 /nfs/dbraw/zinc/11/20/41/337112041.db2.gz KFGSWNGEXDIYQD-ROUUACIJSA-N 1 3 320.477 2.446 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(C4CC4)CC3)CC2)CC1 ZINC000582973793 337224882 /nfs/dbraw/zinc/22/48/82/337224882.db2.gz JOPUOHAHKIKHTB-UHFFFAOYSA-N 1 3 319.493 2.242 20 0 DEADHO CN(C)[C@@H](CNC(=O)N1CCC(CC[NH3+])CC1)c1ccccc1 ZINC000583029130 337230792 /nfs/dbraw/zinc/23/07/92/337230792.db2.gz BPCKZJSEPGCYKW-KRWDZBQOSA-N 1 3 318.465 2.060 20 0 DEADHO Cc1ccc([C@H](CNC(=O)CC[NH2+]C2CC2)N2CCCC2)cc1 ZINC000583035919 337232290 /nfs/dbraw/zinc/23/22/90/337232290.db2.gz XVJORPZGNDGOKM-SFHVURJKSA-N 1 3 315.461 2.390 20 0 DEADHO CCC[NH+]1CCN(c2ccccc2CN[C@H]2C[C@@H]2OCC)CC1 ZINC000583122751 337244237 /nfs/dbraw/zinc/24/42/37/337244237.db2.gz VASUTWZDAQVWAI-HKUYNNGSSA-N 1 3 317.477 2.486 20 0 DEADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000583751179 337329213 /nfs/dbraw/zinc/32/92/13/337329213.db2.gz HQCNFRIKEMXFCG-CABCVRRESA-N 1 3 318.465 2.076 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC1 ZINC001376572668 1159556978 /nfs/dbraw/zinc/55/69/78/1159556978.db2.gz FOFKGUDRCOHDGO-JKSUJKDBSA-N 1 3 313.461 2.047 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1CCCC[N@H+]1CC1CC1 ZINC001376572668 1159556994 /nfs/dbraw/zinc/55/69/94/1159556994.db2.gz FOFKGUDRCOHDGO-JKSUJKDBSA-N 1 3 313.461 2.047 20 0 DEADHO CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001398601758 1161010404 /nfs/dbraw/zinc/01/04/04/1161010404.db2.gz ZKYWVIGDZMXTRA-HOTGVXAUSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001398601758 1161010416 /nfs/dbraw/zinc/01/04/16/1161010416.db2.gz ZKYWVIGDZMXTRA-HOTGVXAUSA-N 1 3 309.498 2.297 20 0 DEADHO CCCN(C)CC(=O)NC1(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001369584254 1149052399 /nfs/dbraw/zinc/05/23/99/1149052399.db2.gz KZGLLACREKGMJR-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)CCC)C[C@@H]2C1 ZINC001378778966 1152444414 /nfs/dbraw/zinc/44/44/14/1152444414.db2.gz HTTBEDOABGLXBT-BBWFWOEESA-N 1 3 309.498 2.345 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)CCC)C[C@@H]2C1 ZINC001378778966 1152444419 /nfs/dbraw/zinc/44/44/19/1152444419.db2.gz HTTBEDOABGLXBT-BBWFWOEESA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](C[NH3+])N(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000417835788 533783437 /nfs/dbraw/zinc/78/34/37/533783437.db2.gz LHZIHEDEAZZGPI-HLLBOEOZSA-N 1 3 318.465 2.028 20 0 DEADHO C[C@H]([NH2+]C1CC1)C(=O)N(CCCc1ccccc1)CCN(C)C ZINC000294976683 533792712 /nfs/dbraw/zinc/79/27/12/533792712.db2.gz GTBQCRKHGLVDER-INIZCTEOSA-N 1 3 317.477 2.150 20 0 DEADHO C[C@@H](O)[C@](C)(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000423068413 533864051 /nfs/dbraw/zinc/86/40/51/533864051.db2.gz BSWBSFXCWJCFER-NYJIRUKSSA-N 1 3 302.462 2.489 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCC2CC2)C1 ZINC001401300778 1161920158 /nfs/dbraw/zinc/92/01/58/1161920158.db2.gz YWEDTFZLOUPCQM-WBVHZDCISA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)[C@H](C)O1 ZINC000295642215 533958021 /nfs/dbraw/zinc/95/80/21/533958021.db2.gz IHHADDKHYVQMEI-VCBZYWHSSA-N 1 3 318.461 2.299 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCc1nccn1Cc1ccccc1 ZINC000422819910 534074020 /nfs/dbraw/zinc/07/40/20/534074020.db2.gz OFYFDUWCWNFETO-SJLPKXTDSA-N 1 3 312.461 2.452 20 0 DEADHO COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2CN)C1 ZINC000422852889 534151049 /nfs/dbraw/zinc/15/10/49/534151049.db2.gz ROBVXROJPCAKKC-BZUAXINKSA-N 1 3 303.450 2.239 20 0 DEADHO COc1ccccc1N1CC[C@H](N[C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422880611 534155746 /nfs/dbraw/zinc/15/57/46/534155746.db2.gz XBBJWNJAULJECK-HRCADAONSA-N 1 3 303.450 2.252 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)NCCCC[NH3+])N2CCCC2)cc1 ZINC000417350627 534218757 /nfs/dbraw/zinc/21/87/57/534218757.db2.gz APHRGEKRIQAQDA-QGZVFWFLSA-N 1 3 318.465 2.170 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)N[C@H](C)CC[NH3+])N2CCCC2)cc1 ZINC000417353201 534219635 /nfs/dbraw/zinc/21/96/35/534219635.db2.gz IDXGUDCIVJVRAI-NVXWUHKLSA-N 1 3 318.465 2.168 20 0 DEADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000422770817 534389834 /nfs/dbraw/zinc/38/98/34/534389834.db2.gz WSNRTOVJLFMNAE-CADBVGFASA-N 1 3 302.462 2.348 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)N(C)C ZINC000129701558 519789029 /nfs/dbraw/zinc/78/90/29/519789029.db2.gz MZGWHNMIMHRBFM-KRWDZBQOSA-N 1 3 305.466 2.211 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1)N(C)C ZINC000129701558 519789030 /nfs/dbraw/zinc/78/90/30/519789030.db2.gz MZGWHNMIMHRBFM-KRWDZBQOSA-N 1 3 305.466 2.211 20 0 DEADHO CC[NH+](CC)CC1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000336874603 520586308 /nfs/dbraw/zinc/58/63/08/520586308.db2.gz XCXUGNUCZWNONY-GOSISDBHSA-N 1 3 320.477 2.480 20 0 DEADHO CC[N@H+](CCNC(=O)NC[C@@H](C)N1CCC(C)CC1)C(C)C ZINC000102563180 521060857 /nfs/dbraw/zinc/06/08/57/521060857.db2.gz ORBYIKIKASIIQH-MRXNPFEDSA-N 1 3 312.502 2.136 20 0 DEADHO CC[N@@H+](CCNC(=O)NC[C@@H](C)N1CCC(C)CC1)C(C)C ZINC000102563180 521060864 /nfs/dbraw/zinc/06/08/64/521060864.db2.gz ORBYIKIKASIIQH-MRXNPFEDSA-N 1 3 312.502 2.136 20 0 DEADHO CC[N@H+](Cc1ccc(C(=O)NC[C@@H](C)N(C)C)cc1)C1CC1 ZINC000338030961 521302080 /nfs/dbraw/zinc/30/20/80/521302080.db2.gz LHHRLBHMNRZNNJ-CQSZACIVSA-N 1 3 303.450 2.351 20 0 DEADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](C)N(C)C)cc1)C1CC1 ZINC000338030961 521302087 /nfs/dbraw/zinc/30/20/87/521302087.db2.gz LHHRLBHMNRZNNJ-CQSZACIVSA-N 1 3 303.450 2.351 20 0 DEADHO CCN1CCC(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000337344354 521574242 /nfs/dbraw/zinc/57/42/42/521574242.db2.gz TXWOKSCIGIXDCJ-CABCVRRESA-N 1 3 310.486 2.033 20 0 DEADHO CCN1CCC(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000337344354 521574250 /nfs/dbraw/zinc/57/42/50/521574250.db2.gz TXWOKSCIGIXDCJ-CABCVRRESA-N 1 3 310.486 2.033 20 0 DEADHO COc1cc(OC)cc(OCCCN(C)C[C@@H]2CCC[NH2+]C2)c1 ZINC000339430640 522869268 /nfs/dbraw/zinc/86/92/68/522869268.db2.gz HQCMZFYLBUAWFK-OAHLLOKOSA-N 1 3 322.449 2.404 20 0 DEADHO COc1cc(OC)cc(OCCC[N@H+](C)C[C@@H]2CCCNC2)c1 ZINC000339430640 522869278 /nfs/dbraw/zinc/86/92/78/522869278.db2.gz HQCMZFYLBUAWFK-OAHLLOKOSA-N 1 3 322.449 2.404 20 0 DEADHO COc1cc(OC)cc(OCCC[N@@H+](C)C[C@@H]2CCCNC2)c1 ZINC000339430640 522869283 /nfs/dbraw/zinc/86/92/83/522869283.db2.gz HQCMZFYLBUAWFK-OAHLLOKOSA-N 1 3 322.449 2.404 20 0 DEADHO C[C@H](CNC(=O)NCCN1CCC[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000338278355 524414090 /nfs/dbraw/zinc/41/40/90/524414090.db2.gz HUFKQSYZIQDYKC-DLBZAZTESA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCC(C)CC1 ZINC000338403387 524431082 /nfs/dbraw/zinc/43/10/82/524431082.db2.gz CRJRHKQGOWWJPI-IKGGRYGDSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)N1CCC(C)CC1 ZINC000338403387 524431090 /nfs/dbraw/zinc/43/10/90/524431090.db2.gz CRJRHKQGOWWJPI-IKGGRYGDSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H]1C[C@H]([NH2+]Cc2cccc(CN3CCOCC3)c2)CCN1C ZINC000163687007 524928106 /nfs/dbraw/zinc/92/81/06/524928106.db2.gz UAIXCXLGCUZZPS-QFBILLFUSA-N 1 3 317.477 2.091 20 0 DEADHO C[C@H]1C[C@H](NCc2cccc(CN3CCOCC3)c2)CC[N@@H+]1C ZINC000163687007 524928121 /nfs/dbraw/zinc/92/81/21/524928121.db2.gz UAIXCXLGCUZZPS-QFBILLFUSA-N 1 3 317.477 2.091 20 0 DEADHO C[C@H]1C[C@H](NCc2cccc(CN3CCOCC3)c2)CC[N@H+]1C ZINC000163687007 524928133 /nfs/dbraw/zinc/92/81/33/524928133.db2.gz UAIXCXLGCUZZPS-QFBILLFUSA-N 1 3 317.477 2.091 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(C)CCN2CCCC2)C1 ZINC000112743147 525384253 /nfs/dbraw/zinc/38/42/53/525384253.db2.gz BKAOUVGXWLBDEZ-CALCHBBNSA-N 1 3 324.513 2.092 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N(C)CCN2CCCC2)C1 ZINC000112743147 525384264 /nfs/dbraw/zinc/38/42/64/525384264.db2.gz BKAOUVGXWLBDEZ-CALCHBBNSA-N 1 3 324.513 2.092 20 0 DEADHO CC(C)(C[NH2+][C@H]1CCC[C@@H]1CN)c1ccc2c(c1)OCCO2 ZINC000422828949 527180549 /nfs/dbraw/zinc/18/05/49/527180549.db2.gz UFCUUDCNPTYVRX-HIFRSBDPSA-N 1 3 304.434 2.452 20 0 DEADHO CCC[N@H+](CC)CCNC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000447951928 527969763 /nfs/dbraw/zinc/96/97/63/527969763.db2.gz DGBIZEGZPCBPHK-OAHLLOKOSA-N 1 3 312.502 2.138 20 0 DEADHO CCC[N@@H+](CC)CCNC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000447951928 527969767 /nfs/dbraw/zinc/96/97/67/527969767.db2.gz DGBIZEGZPCBPHK-OAHLLOKOSA-N 1 3 312.502 2.138 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCc1ccc2c(c1)CNC2 ZINC000418195609 527985628 /nfs/dbraw/zinc/98/56/28/527985628.db2.gz CFMSBCJBYOAOEF-CQSZACIVSA-N 1 3 318.465 2.209 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCc1ccc2c(c1)CNC2 ZINC000418195609 527985631 /nfs/dbraw/zinc/98/56/31/527985631.db2.gz CFMSBCJBYOAOEF-CQSZACIVSA-N 1 3 318.465 2.209 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000418408699 528082170 /nfs/dbraw/zinc/08/21/70/528082170.db2.gz NZFBCINAKHXXME-MRXNPFEDSA-N 1 3 312.502 2.267 20 0 DEADHO CC[NH+](CC)Cc1cccc(CNC(=O)CN(C)C(C)C)c1 ZINC000299298407 528192134 /nfs/dbraw/zinc/19/21/34/528192134.db2.gz AQFFRTJLVTXCQI-UHFFFAOYSA-N 1 3 305.466 2.485 20 0 DEADHO CCN(CC)[C@@H](CN[C@@H](C)C1C[NH2+]C1)c1cccc(OC)c1 ZINC000422799431 528245823 /nfs/dbraw/zinc/24/58/23/528245823.db2.gz WRJPFTBDJCBNME-KSSFIOAISA-N 1 3 305.466 2.276 20 0 DEADHO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000417578018 528303772 /nfs/dbraw/zinc/30/37/72/528303772.db2.gz KGYYMHBRVPSTFG-RDJZCZTQSA-N 1 3 320.481 2.180 20 0 DEADHO CC1(C)CCCN(CCNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000444842735 528935204 /nfs/dbraw/zinc/93/52/04/528935204.db2.gz AJSBIMLUCGBYLO-HZPDHXFCSA-N 1 3 322.497 2.034 20 0 DEADHO CC1(C)CCCN(CCNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000444842735 528935206 /nfs/dbraw/zinc/93/52/06/528935206.db2.gz AJSBIMLUCGBYLO-HZPDHXFCSA-N 1 3 322.497 2.034 20 0 DEADHO CCN1CCC(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000411860630 528980098 /nfs/dbraw/zinc/98/00/98/528980098.db2.gz DYDYLAFXVZBSJR-PMPSAXMXSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@H](C[NH3+])CC(C)C)c1ccco1 ZINC000418169890 529181698 /nfs/dbraw/zinc/18/16/98/529181698.db2.gz QUJNADLUOILUFA-KKUMJFAQSA-N 1 3 324.469 2.381 20 0 DEADHO CC[C@H](CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+])Oc1cccc(C)c1 ZINC000422922492 529369426 /nfs/dbraw/zinc/36/94/26/529369426.db2.gz SXEHYDQJEYVQEF-CIRFHOKZSA-N 1 3 306.450 2.494 20 0 DEADHO CC(C)[C@H](CN1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000352718530 534990413 /nfs/dbraw/zinc/99/04/13/534990413.db2.gz LBJODPRNGKZJNC-MOPGFXCFSA-N 1 3 301.478 2.406 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NCCN1CCC(C)CC1 ZINC000357609157 535242554 /nfs/dbraw/zinc/24/25/54/535242554.db2.gz PAZIZYTZAMOAPS-INIZCTEOSA-N 1 3 312.502 2.138 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NCCN1CCC(C)CC1 ZINC000357609157 535242559 /nfs/dbraw/zinc/24/25/59/535242559.db2.gz PAZIZYTZAMOAPS-INIZCTEOSA-N 1 3 312.502 2.138 20 0 DEADHO CC[NH2+]CC1CCN(Cc2cnc3c(c2)c(C)nn3C)CC1 ZINC000347005866 535460644 /nfs/dbraw/zinc/46/06/44/535460644.db2.gz CAOCTDSNIFQOHN-UHFFFAOYSA-N 1 3 301.438 2.098 20 0 DEADHO CCN1CCC(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000359875325 535471237 /nfs/dbraw/zinc/47/12/37/535471237.db2.gz KLEFLHTURVIKAM-KRWDZBQOSA-N 1 3 322.497 2.034 20 0 DEADHO CCN1CCC(NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000359875325 535471240 /nfs/dbraw/zinc/47/12/40/535471240.db2.gz KLEFLHTURVIKAM-KRWDZBQOSA-N 1 3 322.497 2.034 20 0 DEADHO CC[NH+](CC)CCOc1ccc(NC(=O)[C@H](C)NC2CC2)cc1 ZINC000449084441 535556505 /nfs/dbraw/zinc/55/65/05/535556505.db2.gz XXTOCTCPMNZWGU-AWEZNQCLSA-N 1 3 319.449 2.486 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+][C@H]2CCSC2)CC1 ZINC000346203127 535754641 /nfs/dbraw/zinc/75/46/41/535754641.db2.gz DKQNGVIDGNSDKF-INIZCTEOSA-N 1 3 305.491 2.424 20 0 DEADHO CN(C)CCOc1cccc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000261975940 535913718 /nfs/dbraw/zinc/91/37/18/535913718.db2.gz QTPNLEBSELDOKI-ZIAGYGMSSA-N 1 3 305.422 2.083 20 0 DEADHO CN(C)Cc1cccc(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)c1 ZINC000349043274 536029085 /nfs/dbraw/zinc/02/90/85/536029085.db2.gz CPXOJTMJOBGRTM-MRXNPFEDSA-N 1 3 324.428 2.212 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C[C@@H](N)c3ccccc3)CC[C@@H]21 ZINC000262316041 536377701 /nfs/dbraw/zinc/37/77/01/536377701.db2.gz QIGNTBNEINKPSB-ZACQAIPSSA-N 1 3 301.434 2.019 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C[C@@H](N)c3ccccc3)CC[C@@H]21 ZINC000262316041 536377703 /nfs/dbraw/zinc/37/77/03/536377703.db2.gz QIGNTBNEINKPSB-ZACQAIPSSA-N 1 3 301.434 2.019 20 0 DEADHO C[C@@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001379098582 1152567568 /nfs/dbraw/zinc/56/75/68/1152567568.db2.gz NLLVODZGYXQEFM-IRXDYDNUSA-N 1 3 317.477 2.480 20 0 DEADHO C[C@@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001379098582 1152567570 /nfs/dbraw/zinc/56/75/70/1152567570.db2.gz NLLVODZGYXQEFM-IRXDYDNUSA-N 1 3 317.477 2.480 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCCN2C)cc1F ZINC001379109284 1152570747 /nfs/dbraw/zinc/57/07/47/1152570747.db2.gz TWLGYGIOPUWIHL-PBHICJAKSA-N 1 3 321.440 2.165 20 0 DEADHO CN(C)CC[N@H+](C)CCCN(C)Cc1cc(F)ccc1N(C)C ZINC001414148953 1152576449 /nfs/dbraw/zinc/57/64/49/1152576449.db2.gz AEWHLAGFNIAXQZ-UHFFFAOYSA-N 1 3 324.488 2.207 20 0 DEADHO CN(C)CC[N@@H+](C)CCCN(C)Cc1cc(F)ccc1N(C)C ZINC001414148953 1152576451 /nfs/dbraw/zinc/57/64/51/1152576451.db2.gz AEWHLAGFNIAXQZ-UHFFFAOYSA-N 1 3 324.488 2.207 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC1CC1)N(C)C ZINC001368781474 1148654358 /nfs/dbraw/zinc/65/43/58/1148654358.db2.gz SULGIRBAXBVJTB-FGTMMUONSA-N 1 3 315.461 2.108 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001379418168 1152621587 /nfs/dbraw/zinc/62/15/87/1152621587.db2.gz MYMYGWVFQAMNCH-CJNGLKHVSA-N 1 3 309.429 2.069 20 0 DEADHO C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000736197352 599313926 /nfs/dbraw/zinc/31/39/26/599313926.db2.gz NATVPSHIVVDPOU-ZDUSSCGKSA-N 1 3 314.437 2.201 20 0 DEADHO C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000736197352 599313927 /nfs/dbraw/zinc/31/39/27/599313927.db2.gz NATVPSHIVVDPOU-ZDUSSCGKSA-N 1 3 314.437 2.201 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CN(C)C(C)C)C2)c1 ZINC001379593773 1152648181 /nfs/dbraw/zinc/64/81/81/1152648181.db2.gz YDEPHRLJOQJGKF-WMZOPIPTSA-N 1 3 317.477 2.414 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]([NH2+]CC1CC1)C(C)C ZINC001382042363 1153329370 /nfs/dbraw/zinc/32/93/70/1153329370.db2.gz BRPZJKDSGRFPJT-IAGOWNOFSA-N 1 3 309.498 2.391 20 0 DEADHO COc1ccccc1N1CC[C@H](CN[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000925542504 625283435 /nfs/dbraw/zinc/28/34/35/625283435.db2.gz PAADGQQWIPCPOB-BZUAXINKSA-N 1 3 303.450 2.252 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001023632127 625363176 /nfs/dbraw/zinc/36/31/76/625363176.db2.gz DVGAIHIRANEHSW-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001023632127 625363187 /nfs/dbraw/zinc/36/31/87/625363187.db2.gz DVGAIHIRANEHSW-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC)C1 ZINC001023696560 625392707 /nfs/dbraw/zinc/39/27/07/625392707.db2.gz PNUQZFBBFRUHJD-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC)C1 ZINC001023696560 625392709 /nfs/dbraw/zinc/39/27/09/625392709.db2.gz PNUQZFBBFRUHJD-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1CCC([NH2+]CC2CCC2)CC1 ZINC001026598674 625554729 /nfs/dbraw/zinc/55/47/29/625554729.db2.gz SRWVANPRDFWMBA-UHFFFAOYSA-N 1 3 304.438 2.078 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCCC2)C1 ZINC000969650282 622862447 /nfs/dbraw/zinc/86/24/47/622862447.db2.gz RHNZGNNEFBZSSK-QAPCUYQASA-N 1 3 321.509 2.486 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001020586744 622927783 /nfs/dbraw/zinc/92/77/83/622927783.db2.gz XXELFEJJMPKDPC-KBRIMQKVSA-N 1 3 319.424 2.047 20 0 DEADHO CC(C)=CCN1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000969829233 622936915 /nfs/dbraw/zinc/93/69/15/622936915.db2.gz AVCALAAXCLKFJM-IRXDYDNUSA-N 1 3 321.509 2.367 20 0 DEADHO CC(C)=CCN1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000969829233 622936920 /nfs/dbraw/zinc/93/69/20/622936920.db2.gz AVCALAAXCLKFJM-IRXDYDNUSA-N 1 3 321.509 2.367 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC000969949611 623016211 /nfs/dbraw/zinc/01/62/11/623016211.db2.gz WCMBTEACGLRLOA-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC000969955336 623018882 /nfs/dbraw/zinc/01/88/82/623018882.db2.gz PKHHDDVRMCGKFB-DOTOQJQBSA-N 1 3 319.493 2.099 20 0 DEADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC000969959554 623021061 /nfs/dbraw/zinc/02/10/61/623021061.db2.gz MIDUVDKAVDIXKU-SJLPKXTDSA-N 1 3 315.461 2.027 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C)C1)N(C)C ZINC000969985064 623038287 /nfs/dbraw/zinc/03/82/87/623038287.db2.gz AZSDGCAQTYBFKS-SJORKVTESA-N 1 3 303.450 2.026 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC000970103561 623122233 /nfs/dbraw/zinc/12/22/33/623122233.db2.gz PDSCEAHQDSKLRF-OAHLLOKOSA-N 1 3 302.422 2.033 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2)C1)N(C)C ZINC001024161648 625643476 /nfs/dbraw/zinc/64/34/76/625643476.db2.gz MVQQCCJCKIJNTH-ROUUACIJSA-N 1 3 317.477 2.355 20 0 DEADHO CCN1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970325648 623403349 /nfs/dbraw/zinc/40/33/49/623403349.db2.gz IMIKIGCAMGXIKV-RHSMWYFYSA-N 1 3 307.482 2.240 20 0 DEADHO CCN1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970325648 623403353 /nfs/dbraw/zinc/40/33/53/623403353.db2.gz IMIKIGCAMGXIKV-RHSMWYFYSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)N1CCCC1 ZINC001021343923 623551723 /nfs/dbraw/zinc/55/17/23/623551723.db2.gz XNGMXZUVKOUOKY-ALOPSCKCSA-N 1 3 319.493 2.382 20 0 DEADHO CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)N1CCCC1 ZINC001021343923 623551725 /nfs/dbraw/zinc/55/17/25/623551725.db2.gz XNGMXZUVKOUOKY-ALOPSCKCSA-N 1 3 319.493 2.382 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CC2)C1 ZINC001024185663 625661585 /nfs/dbraw/zinc/66/15/85/625661585.db2.gz DYLIBKNMLDDEBV-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)([NH3+])CCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000891349865 624048029 /nfs/dbraw/zinc/04/80/29/624048029.db2.gz KRMUDNYWJCHANU-INIZCTEOSA-N 1 3 318.465 2.250 20 0 DEADHO CN(CCNC(=O)N1CCCCC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000891413101 624154350 /nfs/dbraw/zinc/15/43/50/624154350.db2.gz VNZWCMMYOVYTCG-KRWDZBQOSA-N 1 3 318.465 2.031 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2F)C1 ZINC000998719534 634386543 /nfs/dbraw/zinc/38/65/43/634386543.db2.gz GURXUMPMBPRQQP-DOTOQJQBSA-N 1 3 319.424 2.001 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NCCC(C)(C)[NH3+])CN1Cc1ccccc1 ZINC000891674048 624525658 /nfs/dbraw/zinc/52/56/58/624525658.db2.gz VIMVDAKYCMJOOI-GDBMZVCRSA-N 1 3 318.465 2.076 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001022712800 624865598 /nfs/dbraw/zinc/86/55/98/624865598.db2.gz ZZXAVSPFOJRESB-BHYGNILZSA-N 1 3 319.493 2.288 20 0 DEADHO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1)c1ccccc1 ZINC001022713277 624865666 /nfs/dbraw/zinc/86/56/66/624865666.db2.gz JTBGAJMCPMZOEY-ATLSCFEFSA-N 1 3 315.461 2.326 20 0 DEADHO C[N@H+](CC1CCCC1)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972339090 624934155 /nfs/dbraw/zinc/93/41/55/624934155.db2.gz KVETYEMGOTYSBQ-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO C[N@@H+](CC1CCCC1)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972339090 624934157 /nfs/dbraw/zinc/93/41/57/624934157.db2.gz KVETYEMGOTYSBQ-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO C[N@H+](CC1CCCCCC1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972429903 625073710 /nfs/dbraw/zinc/07/37/10/625073710.db2.gz UORUUYNEBDDZEZ-KRWDZBQOSA-N 1 3 318.465 2.455 20 0 DEADHO C[N@@H+](CC1CCCCCC1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972429903 625073718 /nfs/dbraw/zinc/07/37/18/625073718.db2.gz UORUUYNEBDDZEZ-KRWDZBQOSA-N 1 3 318.465 2.455 20 0 DEADHO Cc1nn(C(C)C)c(C)c1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000893105542 625117634 /nfs/dbraw/zinc/11/76/34/625117634.db2.gz IEZINLCWEHZIBK-UHFFFAOYSA-N 1 3 322.497 2.406 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@H]1C ZINC001026149096 625155865 /nfs/dbraw/zinc/15/58/65/625155865.db2.gz OKULHTVPYCCOKL-QZIVSUOLSA-N 1 3 321.509 2.342 20 0 DEADHO CCC(CC)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@H]1C ZINC001026149096 625155868 /nfs/dbraw/zinc/15/58/68/625155868.db2.gz OKULHTVPYCCOKL-QZIVSUOLSA-N 1 3 321.509 2.342 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(CC(C)C)nc2)CC1 ZINC000892575053 625162516 /nfs/dbraw/zinc/16/25/16/625162516.db2.gz QMACHZHWLFXNME-QGZVFWFLSA-N 1 3 318.509 2.396 20 0 DEADHO C[C@@H]1CN(C(C)(C)CN[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C[C@H](C)O1 ZINC000925518360 625171186 /nfs/dbraw/zinc/17/11/86/625171186.db2.gz YDGHTEQBQZCNOZ-ALYAQQCSSA-N 1 3 323.525 2.240 20 0 DEADHO CCC(CC)(C[NH3+])C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000236673155 625199190 /nfs/dbraw/zinc/19/91/90/625199190.db2.gz WYXRQZJMKBXPID-OAHLLOKOSA-N 1 3 305.466 2.388 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1)N(C)C ZINC001025087624 625202513 /nfs/dbraw/zinc/20/25/13/625202513.db2.gz ILLOQJQDJNFOJC-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CCCF)C1 ZINC001023404523 625256069 /nfs/dbraw/zinc/25/60/69/625256069.db2.gz UQFYABCTNIDOTN-JKSUJKDBSA-N 1 3 313.461 2.049 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCCF)C1 ZINC001023404523 625256071 /nfs/dbraw/zinc/25/60/71/625256071.db2.gz UQFYABCTNIDOTN-JKSUJKDBSA-N 1 3 313.461 2.049 20 0 DEADHO CC(C)=CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001024446515 625769633 /nfs/dbraw/zinc/76/96/33/625769633.db2.gz DOCBGYIFHRHLAR-BRWVUGGUSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)=CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001024446515 625769638 /nfs/dbraw/zinc/76/96/38/625769638.db2.gz DOCBGYIFHRHLAR-BRWVUGGUSA-N 1 3 307.482 2.264 20 0 DEADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)c1cccc(F)c1 ZINC001019775870 625832832 /nfs/dbraw/zinc/83/28/32/625832832.db2.gz KGZNUKDGVSGVHM-YOEHRIQHSA-N 1 3 319.424 2.173 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCC2CC2)C1 ZINC000999144764 634493583 /nfs/dbraw/zinc/49/35/83/634493583.db2.gz NSONVIFMIPDRSM-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO CCC[NH2+]C1CC(N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000999400681 634579298 /nfs/dbraw/zinc/57/92/98/634579298.db2.gz MEIUOYJSJIWPCT-MQBCKMQZSA-N 1 3 313.461 2.188 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC000999489727 634619877 /nfs/dbraw/zinc/61/98/77/634619877.db2.gz MGUWQGXKXWOQGV-IAGOWNOFSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001000197593 634786202 /nfs/dbraw/zinc/78/62/02/634786202.db2.gz ITEGWTAULTVJOT-FUHWJXTLSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]CC2CCC2)C(C)(C)C1)N(C)C ZINC000996246052 633218221 /nfs/dbraw/zinc/21/82/21/633218221.db2.gz JDXRDLFIJALRKG-HZPDHXFCSA-N 1 3 309.498 2.199 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1C[C@H]([NH2+]CC2CCC2)C(C)(C)C1 ZINC000996301178 633232216 /nfs/dbraw/zinc/23/22/16/633232216.db2.gz RDSQPXSCLUIOCH-HOCLYGCPSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001026900752 633249500 /nfs/dbraw/zinc/24/95/00/633249500.db2.gz BYFRIAYCQXOZRB-WBVHZDCISA-N 1 3 323.525 2.447 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]CC3CCCCC3)C2)C1 ZINC001027064900 633386060 /nfs/dbraw/zinc/38/60/60/633386060.db2.gz MMRQBABMAGGWNE-FUHWJXTLSA-N 1 3 321.509 2.347 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001027217607 633500204 /nfs/dbraw/zinc/50/02/04/633500204.db2.gz NCKISMCOOOWHBI-KRWDZBQOSA-N 1 3 315.461 2.029 20 0 DEADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCN(CC3=CCCCC3)C2)C1 ZINC001015995873 633763455 /nfs/dbraw/zinc/76/34/55/633763455.db2.gz ADEPLIZXWAMHSN-SJORKVTESA-N 1 3 305.466 2.019 20 0 DEADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCN(CC3=CCCCC3)C2)C1 ZINC001015995873 633763464 /nfs/dbraw/zinc/76/34/64/633763464.db2.gz ADEPLIZXWAMHSN-SJORKVTESA-N 1 3 305.466 2.019 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CCC2CC2)C1)N(C)C ZINC001027451527 633807123 /nfs/dbraw/zinc/80/71/23/633807123.db2.gz CDVRUALJMZFGDS-SJORKVTESA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CC2)C1)N(C)C ZINC001027451527 633807126 /nfs/dbraw/zinc/80/71/26/633807126.db2.gz CDVRUALJMZFGDS-SJORKVTESA-N 1 3 309.498 2.296 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCC)CC1 ZINC000997614980 633900134 /nfs/dbraw/zinc/90/01/34/633900134.db2.gz VVPHUPXXKIZNRJ-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC(C[NH2+]CC3CCCC3)CC2)C1 ZINC000998081301 634133954 /nfs/dbraw/zinc/13/39/54/634133954.db2.gz IREJHVJIPVGYTO-MRXNPFEDSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([N@H+](C)CC3CCCC3)C2)C1 ZINC001027575927 634182570 /nfs/dbraw/zinc/18/25/70/634182570.db2.gz GQGKVQTVGQRWCX-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([N@@H+](C)CC3CCCC3)C2)C1 ZINC001027575927 634182578 /nfs/dbraw/zinc/18/25/78/634182578.db2.gz GQGKVQTVGQRWCX-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([N@H+](C)CCC2CC2)C1 ZINC001027576133 634183231 /nfs/dbraw/zinc/18/32/31/634183231.db2.gz KTTNQUCZDQUCHY-RDJZCZTQSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([N@@H+](C)CCC2CC2)C1 ZINC001027576133 634183236 /nfs/dbraw/zinc/18/32/36/634183236.db2.gz KTTNQUCZDQUCHY-RDJZCZTQSA-N 1 3 307.482 2.194 20 0 DEADHO Cc1cccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCN3C)C2)c1 ZINC000998548987 634323556 /nfs/dbraw/zinc/32/35/56/634323556.db2.gz JRBCMSLYGUEPCB-ABHNRTSZSA-N 1 3 315.461 2.168 20 0 DEADHO CC1CCC(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)CC1 ZINC000980404529 634989116 /nfs/dbraw/zinc/98/91/16/634989116.db2.gz BQCVGPSWOMILJH-DAWZGUTISA-N 1 3 321.509 2.441 20 0 DEADHO CC1CCC(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)CC1 ZINC000980404529 634989121 /nfs/dbraw/zinc/98/91/21/634989121.db2.gz BQCVGPSWOMILJH-DAWZGUTISA-N 1 3 321.509 2.441 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001000321702 635140060 /nfs/dbraw/zinc/14/00/60/635140060.db2.gz VATOHBRPLSJXGJ-OAHLLOKOSA-N 1 3 304.438 2.113 20 0 DEADHO C[C@H]1C[C@H](C[NH2+]Cc2ccsc2)CN1C(=O)CN1CCCC1 ZINC000980799241 635155660 /nfs/dbraw/zinc/15/56/60/635155660.db2.gz FYQRBEQBJHSAIM-GOEBONIOSA-N 1 3 321.490 2.171 20 0 DEADHO C[C@H]1C[C@@H](C[NH2+]CC2CCCC2)CN1C(=O)CN1CCCC1 ZINC000980802383 635160077 /nfs/dbraw/zinc/16/00/77/635160077.db2.gz YOJWWOHAZZWPAW-RDJZCZTQSA-N 1 3 307.482 2.099 20 0 DEADHO CN(C)C(=O)c1cccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)c1 ZINC000921789951 635223378 /nfs/dbraw/zinc/22/33/78/635223378.db2.gz AGZXPBFZHQHAEO-AYHJJNSGSA-N 1 3 315.461 2.493 20 0 DEADHO C[NH+]1CCC(C(=O)N2CCCN(CC3=CCCCC3)CC2)CC1 ZINC000981872813 635702866 /nfs/dbraw/zinc/70/28/66/635702866.db2.gz YHBZGFTVXSURDX-UHFFFAOYSA-N 1 3 319.493 2.363 20 0 DEADHO [NH3+][C@@H]1C[C@H](N[C@H]2CCCN3CCSC[C@@H]23)c2ccccc21 ZINC000925824536 635703663 /nfs/dbraw/zinc/70/36/63/635703663.db2.gz ADEBALPWLDEOIO-QZWWFDLISA-N 1 3 303.475 2.301 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC(NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001002793600 635799523 /nfs/dbraw/zinc/79/95/23/635799523.db2.gz XFXUZDYZMCLPJX-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)C1([NH3+])CCCCC1 ZINC000261550046 635893281 /nfs/dbraw/zinc/89/32/81/635893281.db2.gz PESXVZBUDOFEST-HNNXBMFYSA-N 1 3 303.450 2.285 20 0 DEADHO Cc1nc(F)ccc1CN[C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922390522 636152919 /nfs/dbraw/zinc/15/29/19/636152919.db2.gz NOJVIPQPGANDFL-XYVMCAHJSA-N 1 3 321.440 2.098 20 0 DEADHO Cc1nc(F)ccc1CN[C@@H]1C[C@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922390522 636152921 /nfs/dbraw/zinc/15/29/21/636152921.db2.gz NOJVIPQPGANDFL-XYVMCAHJSA-N 1 3 321.440 2.098 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001028537189 636329354 /nfs/dbraw/zinc/32/93/54/636329354.db2.gz JBRDMAFBBXPVPX-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001028537189 636329356 /nfs/dbraw/zinc/32/93/56/636329356.db2.gz JBRDMAFBBXPVPX-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004457995 636459286 /nfs/dbraw/zinc/45/92/86/636459286.db2.gz NBDLHRCWGDVKOR-ZWKOTPCHSA-N 1 3 321.509 2.440 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004457995 636459290 /nfs/dbraw/zinc/45/92/90/636459290.db2.gz NBDLHRCWGDVKOR-ZWKOTPCHSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CC2)CC1)N(C)C ZINC001004547209 636484668 /nfs/dbraw/zinc/48/46/68/636484668.db2.gz MTECXZQRIJNXTM-ROUUACIJSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CC2)CC1)N(C)C ZINC001004547209 636484670 /nfs/dbraw/zinc/48/46/70/636484670.db2.gz MTECXZQRIJNXTM-ROUUACIJSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]2C[N@@H+](CC3CC3)C[C@H]2CC1 ZINC000946779243 636646880 /nfs/dbraw/zinc/64/68/80/636646880.db2.gz LFEILOGJSGBWSM-RYQLBKOJSA-N 1 3 319.493 2.051 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]2C[N@H+](CC3CC3)C[C@H]2CC1 ZINC000946779243 636646884 /nfs/dbraw/zinc/64/68/84/636646884.db2.gz LFEILOGJSGBWSM-RYQLBKOJSA-N 1 3 319.493 2.051 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCCF)C1 ZINC001028845085 636783034 /nfs/dbraw/zinc/78/30/34/636783034.db2.gz FSLKAXHEHDUXPN-HZPDHXFCSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCCF)C1 ZINC001028845085 636783037 /nfs/dbraw/zinc/78/30/37/636783037.db2.gz FSLKAXHEHDUXPN-HZPDHXFCSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC(C)(C)/C=C/Cl ZINC000923199952 637028527 /nfs/dbraw/zinc/02/85/27/637028527.db2.gz ZIIPHCZNBHXYOL-XEHSLEBBSA-N 1 3 318.893 2.089 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC(C)(C)/C=C/Cl ZINC000923199952 637028531 /nfs/dbraw/zinc/02/85/31/637028531.db2.gz ZIIPHCZNBHXYOL-XEHSLEBBSA-N 1 3 318.893 2.089 20 0 DEADHO CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)C1CCCCC1 ZINC000923270807 637070909 /nfs/dbraw/zinc/07/09/09/637070909.db2.gz GIQIMEPEHKVOCG-SJORKVTESA-N 1 3 307.482 2.336 20 0 DEADHO CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000923270807 637070914 /nfs/dbraw/zinc/07/09/14/637070914.db2.gz GIQIMEPEHKVOCG-SJORKVTESA-N 1 3 307.482 2.336 20 0 DEADHO C[C@](C[NH3+])(NC[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000923295662 637096820 /nfs/dbraw/zinc/09/68/20/637096820.db2.gz DFBLZKSMASJWEE-LSDHHAIUSA-N 1 3 316.367 2.326 20 0 DEADHO COc1ccc(CN(C[C@@H]2CC3(C[NH2+]C3)CO2)C2CC2)cc1 ZINC000923300869 637099645 /nfs/dbraw/zinc/09/96/45/637099645.db2.gz BEPVMBUTUZZSQP-KRWDZBQOSA-N 1 3 302.418 2.038 20 0 DEADHO CCCN(C[C@H](O)COc1cccc(C)c1)C1CC[NH2+]CC1 ZINC000923328564 637111850 /nfs/dbraw/zinc/11/18/50/637111850.db2.gz WHBYDHUAYFTALR-KRWDZBQOSA-N 1 3 306.450 2.199 20 0 DEADHO CCC[N@H+](C[C@H](O)COc1cccc(C)c1)C1CCNCC1 ZINC000923328564 637111856 /nfs/dbraw/zinc/11/18/56/637111856.db2.gz WHBYDHUAYFTALR-KRWDZBQOSA-N 1 3 306.450 2.199 20 0 DEADHO CCC[N@@H+](C[C@H](O)COc1cccc(C)c1)C1CCNCC1 ZINC000923328564 637111859 /nfs/dbraw/zinc/11/18/59/637111859.db2.gz WHBYDHUAYFTALR-KRWDZBQOSA-N 1 3 306.450 2.199 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]2CN(C[C@@H](O)COc3ccccc3Cl)C[C@@H]21 ZINC000923331251 637116307 /nfs/dbraw/zinc/11/63/07/637116307.db2.gz FGHVNFHVYXAZDC-HGTKMLMNSA-N 1 3 324.852 2.139 20 0 DEADHO O[C@H](CN1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccc(F)c(F)c1 ZINC000923363943 637137043 /nfs/dbraw/zinc/13/70/43/637137043.db2.gz GEUCPIZDMVWJTI-DLBZAZTESA-N 1 3 310.388 2.462 20 0 DEADHO COCCN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cccnc1 ZINC000923368808 637139648 /nfs/dbraw/zinc/13/96/48/637139648.db2.gz CGDRAFCQIOPLMY-ZNXRZULTSA-N 1 3 303.450 2.451 20 0 DEADHO [NH3+]C[C@@H](NC[C@H](O)COc1ccccc1F)C1CCCCC1 ZINC000923372748 637142586 /nfs/dbraw/zinc/14/25/86/637142586.db2.gz IZHVXYWEEZAKBY-GOEBONIOSA-N 1 3 310.413 2.063 20 0 DEADHO C[NH2+]CCOCCN(C)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000923404307 637161329 /nfs/dbraw/zinc/16/13/29/637161329.db2.gz ZAHJUFHBQAQYRK-CQSZACIVSA-N 1 3 321.248 2.195 20 0 DEADHO C[C@@H](N)C[N@H+](C)C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000923409737 637164298 /nfs/dbraw/zinc/16/42/98/637164298.db2.gz RZRBOYJWDGDLIT-SCDSUCTJSA-N 1 3 302.340 2.448 20 0 DEADHO C[C@@H](N)C[N@@H+](C)C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000923409737 637164302 /nfs/dbraw/zinc/16/43/02/637164302.db2.gz RZRBOYJWDGDLIT-SCDSUCTJSA-N 1 3 302.340 2.448 20 0 DEADHO COc1ccc(C)cc1CN1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923454452 637190344 /nfs/dbraw/zinc/19/03/44/637190344.db2.gz PRNTUTWGSAROAJ-INIZCTEOSA-N 1 3 304.434 2.333 20 0 DEADHO CC[C@H]1c2ccsc2CCN1C(=O)CN1CC[C@H](CC[NH3+])C1 ZINC000923486788 637200595 /nfs/dbraw/zinc/20/05/95/637200595.db2.gz JSOSPIGVDOENCE-ZFWWWQNUSA-N 1 3 321.490 2.255 20 0 DEADHO [NH3+]CC[C@@H]1CCN(C[C@H](O)c2cccc(Br)c2)C1 ZINC000923479176 637202770 /nfs/dbraw/zinc/20/27/70/637202770.db2.gz NUNRMHVSUCVBCN-RISCZKNCSA-N 1 3 313.239 2.153 20 0 DEADHO C[C@@H]1CN(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC[C@@H]1C[NH3+] ZINC000923500624 637217969 /nfs/dbraw/zinc/21/79/69/637217969.db2.gz QGNZOQQDNSGEPM-TWMKSMIVSA-N 1 3 307.482 2.084 20 0 DEADHO NC(=O)c1cccc(CN2CCC([C@@H]3CCC[NH2+]CC3)CC2)c1 ZINC000923505646 637220997 /nfs/dbraw/zinc/22/09/97/637220997.db2.gz PEJLAOGGJGFUQS-MRXNPFEDSA-N 1 3 315.461 2.387 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CCC(C)C)[C@@H](C)C1 ZINC000947980162 637236777 /nfs/dbraw/zinc/23/67/77/637236777.db2.gz OGVGCKONPMEGNF-ZFWWWQNUSA-N 1 3 306.454 2.276 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CCC(C)C)[C@@H](C)C1 ZINC000947980162 637236784 /nfs/dbraw/zinc/23/67/84/637236784.db2.gz OGVGCKONPMEGNF-ZFWWWQNUSA-N 1 3 306.454 2.276 20 0 DEADHO CC[C@@H](C(=O)N1CCC([C@@H](C)[NH2+]CC2CCC2)CC1)N(C)C ZINC001029144257 637274887 /nfs/dbraw/zinc/27/48/87/637274887.db2.gz HLZPDXKZUCKZPD-PBHICJAKSA-N 1 3 309.498 2.343 20 0 DEADHO C[N@@H+]1CCC[C@H](CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000838150620 637472691 /nfs/dbraw/zinc/47/26/91/637472691.db2.gz VGICNNPBGHEYTI-PBHICJAKSA-N 1 3 313.461 2.047 20 0 DEADHO C[N@H+]1CCC[C@H](CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000838150620 637472696 /nfs/dbraw/zinc/47/26/96/637472696.db2.gz VGICNNPBGHEYTI-PBHICJAKSA-N 1 3 313.461 2.047 20 0 DEADHO CN1CCN(c2ccc(NC3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC000838871244 637685972 /nfs/dbraw/zinc/68/59/72/637685972.db2.gz BSYLXJBBPMSWJJ-UHFFFAOYSA-N 1 3 314.477 2.477 20 0 DEADHO C[C@@H](CC[NH2+]CC(C)(C)CNC(=O)OC(C)(C)C)N(C)C ZINC000895294360 637893874 /nfs/dbraw/zinc/89/38/74/637893874.db2.gz USFCNKPUPROLPY-ZDUSSCGKSA-N 1 3 301.475 2.467 20 0 DEADHO C[C@H](CC[NH2+]CC(C)(C)CNC(=O)OC(C)(C)C)N(C)C ZINC000895294359 637894267 /nfs/dbraw/zinc/89/42/67/637894267.db2.gz USFCNKPUPROLPY-CYBMUJFWSA-N 1 3 301.475 2.467 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)NCC[C@H](C)[NH+](C)C)c1 ZINC000895294485 637894345 /nfs/dbraw/zinc/89/43/45/637894345.db2.gz QHPDXPLHJJPBPF-KBPBESRZSA-N 1 3 307.438 2.342 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)[NH2+]CC[C@H](C)N(C)C)c1 ZINC000895294485 637894350 /nfs/dbraw/zinc/89/43/50/637894350.db2.gz QHPDXPLHJJPBPF-KBPBESRZSA-N 1 3 307.438 2.342 20 0 DEADHO COc1ccc(NC(=O)C[C@@H](C)NCC[C@@H](C)[NH+](C)C)cc1 ZINC000895292988 637896584 /nfs/dbraw/zinc/89/65/84/637896584.db2.gz FDTSKLFCHRWSBO-ZIAGYGMSSA-N 1 3 307.438 2.342 20 0 DEADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[C@@H](C)N(C)C)cc1 ZINC000895292988 637896588 /nfs/dbraw/zinc/89/65/88/637896588.db2.gz FDTSKLFCHRWSBO-ZIAGYGMSSA-N 1 3 307.438 2.342 20 0 DEADHO Cc1cc(C)n2c(CNCc3ccc(CC[NH3+])cc3)cnc2n1 ZINC000841032726 650409525 /nfs/dbraw/zinc/40/95/25/650409525.db2.gz WCILQYIPPCPVSA-UHFFFAOYSA-N 1 3 309.417 2.137 20 0 DEADHO COc1cc(CN[C@@H]2CCC[C@H]([NH3+])C2)ccc1OC(=O)C1CC1 ZINC000841057356 650417107 /nfs/dbraw/zinc/41/71/07/650417107.db2.gz JITLBGSDEUZQDC-LSDHHAIUSA-N 1 3 318.417 2.370 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN[C@H](C)C2)C1 ZINC000841060658 650417869 /nfs/dbraw/zinc/41/78/69/650417869.db2.gz AGUJGQIGYFLODJ-YIYPIFLZSA-N 1 3 318.408 2.474 20 0 DEADHO C[NH+]1CCC(NC[C@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000749129233 638617750 /nfs/dbraw/zinc/61/77/50/638617750.db2.gz XATXJDXGMRMBNB-AWEZNQCLSA-N 1 3 318.339 2.302 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CC3CCCC3)C2)C1 ZINC000984802909 638696162 /nfs/dbraw/zinc/69/61/62/638696162.db2.gz FKVKYARDQHTFRC-DJIMGWMZSA-N 1 3 307.482 2.003 20 0 DEADHO CC(C)[NH2+]C[C@H]1C[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000985154761 639086392 /nfs/dbraw/zinc/08/63/92/639086392.db2.gz PJXITHAPDDUZTG-KOMQPUFPSA-N 1 3 303.450 2.255 20 0 DEADHO C[N@H+](CC1CC1)CC1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001029995783 640022649 /nfs/dbraw/zinc/02/26/49/640022649.db2.gz YSKAPVRQTAIVSN-UHFFFAOYSA-N 1 3 321.509 2.299 20 0 DEADHO C[N@@H+](CC1CC1)CC1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001029995783 640022653 /nfs/dbraw/zinc/02/26/53/640022653.db2.gz YSKAPVRQTAIVSN-UHFFFAOYSA-N 1 3 321.509 2.299 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C ZINC000987058978 640068046 /nfs/dbraw/zinc/06/80/46/640068046.db2.gz OGHTYOHKFBGMFQ-WMLDXEAASA-N 1 3 312.417 2.040 20 0 DEADHO C[C@H]1[C@H]([NH2+]CC2=CCCCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987070665 640072407 /nfs/dbraw/zinc/07/24/07/640072407.db2.gz SIPDASXJQFGODD-XJKSGUPXSA-N 1 3 302.422 2.032 20 0 DEADHO Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C)c1 ZINC000987515844 640207587 /nfs/dbraw/zinc/20/75/87/640207587.db2.gz CKSSQCFFMNZVDO-SJLPKXTDSA-N 1 3 315.461 2.170 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC000987527769 640210377 /nfs/dbraw/zinc/21/03/77/640210377.db2.gz WTINGQLEOJDYKY-AEFFLSMTSA-N 1 3 315.461 2.170 20 0 DEADHO CN(C)c1ccc(N2CCC([NH2+]C3CCNCC3)CC2)cc1 ZINC000841030092 640850460 /nfs/dbraw/zinc/85/04/60/640850460.db2.gz REVQNOCDBBRWBU-UHFFFAOYSA-N 1 3 302.466 2.063 20 0 DEADHO C[NH+]1CCC(CN2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC000897894961 640967193 /nfs/dbraw/zinc/96/71/93/640967193.db2.gz MPRWLOHUZHCHKK-UHFFFAOYSA-N 1 3 323.481 2.271 20 0 DEADHO COC(=O)C[C@H](Cc1ccccc1)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000898302859 641094020 /nfs/dbraw/zinc/09/40/20/641094020.db2.gz IQBHYKGFWWQLJW-OIISXLGYSA-N 1 3 304.434 2.233 20 0 DEADHO COC(=O)C[C@H](Cc1ccccc1)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000898302859 641094024 /nfs/dbraw/zinc/09/40/24/641094024.db2.gz IQBHYKGFWWQLJW-OIISXLGYSA-N 1 3 304.434 2.233 20 0 DEADHO CN(C)CC(C)(C)C[N@H+](C)Cc1ccc(-n2cncn2)cc1 ZINC000898308770 641097191 /nfs/dbraw/zinc/09/71/91/641097191.db2.gz DFWPRVZBOCMPAK-UHFFFAOYSA-N 1 3 301.438 2.287 20 0 DEADHO CN(C)CC(C)(C)C[N@@H+](C)Cc1ccc(-n2cncn2)cc1 ZINC000898308770 641097194 /nfs/dbraw/zinc/09/71/94/641097194.db2.gz DFWPRVZBOCMPAK-UHFFFAOYSA-N 1 3 301.438 2.287 20 0 DEADHO COc1ccc2c(c1)[nH+]ccc2N1C[C@@H](C)N(CCO)C[C@@H]1C ZINC000842046125 650634061 /nfs/dbraw/zinc/63/40/61/650634061.db2.gz PVEJXMLXXFBPKG-KGLIPLIRSA-N 1 3 315.417 2.135 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)c1 ZINC000989797543 641236426 /nfs/dbraw/zinc/23/64/26/641236426.db2.gz YNANHQQWDSNPRT-WMZOPIPTSA-N 1 3 315.461 2.170 20 0 DEADHO C[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)CN1C(=O)CN1CCCC1 ZINC000989798991 641237048 /nfs/dbraw/zinc/23/70/48/641237048.db2.gz ILAOAZXEHJINBS-YOEHRIQHSA-N 1 3 319.424 2.001 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC[C@H]2C)C1 ZINC000841064857 641542490 /nfs/dbraw/zinc/54/24/90/641542490.db2.gz VIBXPGFQLHDLIW-MQYQWHSLSA-N 1 3 318.408 2.331 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)c1 ZINC000898839925 641812322 /nfs/dbraw/zinc/81/23/22/641812322.db2.gz FIUCFRBULZCSJS-IAGOWNOFSA-N 1 3 315.461 2.351 20 0 DEADHO C[C@H]1CC[C@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000783252941 642987779 /nfs/dbraw/zinc/98/77/79/642987779.db2.gz WZACSJJSWOYKSP-MAUKXSAKSA-N 1 3 315.461 2.400 20 0 DEADHO COC[C@@](C)(O)CN[C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902360295 643019370 /nfs/dbraw/zinc/01/93/70/643019370.db2.gz KLPFZSBCKAULQT-HOTGVXAUSA-N 1 3 316.392 2.122 20 0 DEADHO CC1(C)C[NH2+]CC[C@H](N[C@@H]2CCCN(C(=O)N3CCCC3)C2)C1 ZINC000902384170 643024473 /nfs/dbraw/zinc/02/44/73/643024473.db2.gz IFDHYAXOARJBGC-JKSUJKDBSA-N 1 3 322.497 2.034 20 0 DEADHO CCN1CC[C@@H](C[NH2+][C@H](C)C2(NC(=O)OC(C)(C)C)CC2)C1 ZINC000903073739 643247520 /nfs/dbraw/zinc/24/75/20/643247520.db2.gz QCRGPCFMTCBHMQ-KGLIPLIRSA-N 1 3 311.470 2.364 20 0 DEADHO C[NH+](C)CC[C@H](N[C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)c1cccnc1 ZINC000903379236 643334867 /nfs/dbraw/zinc/33/48/67/643334867.db2.gz VVPNIDVJYPCQFC-LOXVXLSQSA-N 1 3 315.461 2.478 20 0 DEADHO Cc1cc(C)c(NC(=O)CN2C[C@@H](C)[C@H](CC[NH3+])C2)c(C)c1 ZINC000903494684 643370429 /nfs/dbraw/zinc/37/04/29/643370429.db2.gz KQBLFZXAFRTLPR-HZPDHXFCSA-N 1 3 303.450 2.467 20 0 DEADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@H](C)c1ccc(F)cc1F)C2 ZINC000903493793 643370795 /nfs/dbraw/zinc/37/07/95/643370795.db2.gz WUNAKLAXFVPCLC-PCUPFXIVSA-N 1 3 324.371 2.238 20 0 DEADHO COc1ccc(-c2noc(CN3C[C@@H](C)[C@H](CC[NH3+])C3)n2)cc1 ZINC000903496439 643371793 /nfs/dbraw/zinc/37/17/93/643371793.db2.gz NTROVYVZFLBRIH-TZMCWYRMSA-N 1 3 316.405 2.162 20 0 DEADHO Cc1ccccc1-c1noc(CN2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000903496570 643371835 /nfs/dbraw/zinc/37/18/35/643371835.db2.gz SQKURRUMXVKNHD-ZIAGYGMSSA-N 1 3 300.406 2.462 20 0 DEADHO CSc1ccc(NC(=O)CN2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000903496379 643372012 /nfs/dbraw/zinc/37/20/12/643372012.db2.gz LRQXKPABKYLJNJ-CHWSQXEVSA-N 1 3 307.463 2.264 20 0 DEADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(N3CCNC3=O)cc2)C1 ZINC000786788677 643409123 /nfs/dbraw/zinc/40/91/23/643409123.db2.gz HJYVHFOTGIPHJD-CABCVRRESA-N 1 3 316.449 2.209 20 0 DEADHO CN(CCOc1ccccc1Cl)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717531 643438171 /nfs/dbraw/zinc/43/81/71/643438171.db2.gz BKVWRDZDKJDDLN-RHSMWYFYSA-N 1 3 324.852 2.419 20 0 DEADHO c1ccc([C@@H]2CCCN2C[C@@H]2CC3(CO2)CC[NH2+]CC3)nc1 ZINC000903737014 643449447 /nfs/dbraw/zinc/44/94/47/643449447.db2.gz OOJHFZLPBHKHMN-RDJZCZTQSA-N 1 3 301.434 2.377 20 0 DEADHO COC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2N)c2ncccc12 ZINC000903763731 643452804 /nfs/dbraw/zinc/45/28/04/643452804.db2.gz LRXLDWUDCQWQIM-HZPDHXFCSA-N 1 3 313.401 2.381 20 0 DEADHO CCn1cc(CN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C(C)C)cn1 ZINC000903768805 643454281 /nfs/dbraw/zinc/45/42/81/643454281.db2.gz REMVDCZQLVIKFS-KRWDZBQOSA-N 1 3 320.481 2.272 20 0 DEADHO C[NH2+]CCOCCN(C)CCOc1ccc(F)c(Cl)c1 ZINC000903769794 643454622 /nfs/dbraw/zinc/45/46/22/643454622.db2.gz ODPYVVJXDNTKHW-UHFFFAOYSA-N 1 3 304.793 2.026 20 0 DEADHO CCOC(=O)[C@@H](CCc1ccccc1)N1CC[C@H](CC[NH3+])C1 ZINC000903788371 643462734 /nfs/dbraw/zinc/46/27/34/643462734.db2.gz JCLIMFLVWRHUSW-DLBZAZTESA-N 1 3 304.434 2.222 20 0 DEADHO Cc1cccc(OCC[N@@H+]2CCNCCC23CCOCC3)c1 ZINC000903814730 643463495 /nfs/dbraw/zinc/46/34/95/643463495.db2.gz HWWZLNNSUOBMDO-UHFFFAOYSA-N 1 3 304.434 2.218 20 0 DEADHO Cc1cccc(OCC[N@H+]2CCNCCC23CCOCC3)c1 ZINC000903814730 643463498 /nfs/dbraw/zinc/46/34/98/643463498.db2.gz HWWZLNNSUOBMDO-UHFFFAOYSA-N 1 3 304.434 2.218 20 0 DEADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN(C1CC1)C1CCCCC1 ZINC000903884346 643496343 /nfs/dbraw/zinc/49/63/43/643496343.db2.gz XOVLIZAJMFMBMK-INIZCTEOSA-N 1 3 303.454 2.500 20 0 DEADHO Cc1c(C[C@H](CN)C[NH2+][C@@H](C)Cc2cccs2)cnn1C ZINC000903922893 643509150 /nfs/dbraw/zinc/50/91/50/643509150.db2.gz HBBBYYHRLCONOP-GXTWGEPZSA-N 1 3 306.479 2.128 20 0 DEADHO Cc1c(C[C@@H](C[NH3+])CN[C@H]2CCc3c2cccc3F)cnn1C ZINC000903927577 643511443 /nfs/dbraw/zinc/51/14/43/643511443.db2.gz ZROOCFYMTMIYMC-UGSOOPFHSA-N 1 3 316.424 2.262 20 0 DEADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN(CCC1CC1)CC1CC1 ZINC000903933290 643514586 /nfs/dbraw/zinc/51/45/86/643514586.db2.gz OCACMFVENSGLQS-MRXNPFEDSA-N 1 3 303.454 2.215 20 0 DEADHO Cc1c(C[C@@H](C[NH3+])CN2CCC(F)(C3CC3)CC2)cnn1C ZINC000904389604 643651244 /nfs/dbraw/zinc/65/12/44/643651244.db2.gz OPEAVIMKFBBSPE-AWEZNQCLSA-N 1 3 308.445 2.060 20 0 DEADHO COc1cc(C)c(CN2CCC3(CO[C@H](C[NH3+])C3)CC2)c(C)n1 ZINC000904392555 643652380 /nfs/dbraw/zinc/65/23/80/643652380.db2.gz SSTXDQWONAFSBX-HNNXBMFYSA-N 1 3 319.449 2.037 20 0 DEADHO Cn1cc(CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)c(C(C)(C)C)n1 ZINC000904392513 643652583 /nfs/dbraw/zinc/65/25/83/643652583.db2.gz SCIUNHIJRWCRDE-OAHLLOKOSA-N 1 3 320.481 2.047 20 0 DEADHO CC(C)(C)CC[C@@H]([NH3+])CN1CCC[C@H](N2CCOCC2)CC1 ZINC000904376561 643654358 /nfs/dbraw/zinc/65/43/58/643654358.db2.gz BVQCBFWCDOUWOL-SJORKVTESA-N 1 3 311.514 2.327 20 0 DEADHO COCCC[NH+]1CCC(NC[C@H](O)c2cccc(C)c2)CC1 ZINC000905088394 643780451 /nfs/dbraw/zinc/78/04/51/643780451.db2.gz IEEXTQGNZADWHG-SFHVURJKSA-N 1 3 306.450 2.119 20 0 DEADHO OCC1(C[C@@H](O)CNC2CC[NH+](C3CCCC3)CC2)CCCC1 ZINC000905155108 643800738 /nfs/dbraw/zinc/80/07/38/643800738.db2.gz OJVILVIKVIZQLJ-GOSISDBHSA-N 1 3 324.509 2.287 20 0 DEADHO OCC1(C[C@@H](O)C[NH2+]C2CCN(C3CCCC3)CC2)CCCC1 ZINC000905155108 643800741 /nfs/dbraw/zinc/80/07/41/643800741.db2.gz OJVILVIKVIZQLJ-GOSISDBHSA-N 1 3 324.509 2.287 20 0 DEADHO CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000906081525 644131628 /nfs/dbraw/zinc/13/16/28/644131628.db2.gz AHVMBFAOGUKNFU-BHYGNILZSA-N 1 3 303.450 2.312 20 0 DEADHO CN1c2ccc(CN3CCCC[C@@H]3CC[NH3+])cc2CCC1=O ZINC000843123179 650900057 /nfs/dbraw/zinc/90/00/57/650900057.db2.gz IRJQLVOECBKROS-MRXNPFEDSA-N 1 3 301.434 2.299 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000911643614 645760556 /nfs/dbraw/zinc/76/05/56/645760556.db2.gz URKPKHOTQPFCBW-AWEZNQCLSA-N 1 3 310.486 2.079 20 0 DEADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810221324 646341178 /nfs/dbraw/zinc/34/11/78/646341178.db2.gz DOEDQFWSEXPSEL-BBRMVZONSA-N 1 3 301.450 2.045 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000811584014 646547752 /nfs/dbraw/zinc/54/77/52/646547752.db2.gz PRXKKUUPTZLARI-WMLDXEAASA-N 1 3 315.477 2.436 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000811584014 646547756 /nfs/dbraw/zinc/54/77/56/646547756.db2.gz PRXKKUUPTZLARI-WMLDXEAASA-N 1 3 315.477 2.436 20 0 DEADHO CN(C)C1(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CC4CC4)[C@@H]3C2)CCC1 ZINC000992724476 647196427 /nfs/dbraw/zinc/19/64/27/647196427.db2.gz WWQYJDWVJFGRTB-BBWFWOEESA-N 1 3 319.493 2.097 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000817927913 647384231 /nfs/dbraw/zinc/38/42/31/647384231.db2.gz TWRJMSDZDYRLMF-WKPIXPDZSA-N 1 3 300.805 2.490 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H](O)c1cccc(Br)c1 ZINC000817932717 647385809 /nfs/dbraw/zinc/38/58/09/647385809.db2.gz WWSVFQDPISJFTR-UBHSHLNASA-N 1 3 313.239 2.200 20 0 DEADHO COc1ccc([C@H](C)NC[C@@H](C)C[NH3+])cc1Cn1cccn1 ZINC000817962765 647394372 /nfs/dbraw/zinc/39/43/72/647394372.db2.gz OTQWJXJDXSIWOI-KBPBESRZSA-N 1 3 302.422 2.185 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000818178810 647428657 /nfs/dbraw/zinc/42/86/57/647428657.db2.gz ULGKZQIEPZPZFX-GOSISDBHSA-N 1 3 309.498 2.443 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000818178810 647428659 /nfs/dbraw/zinc/42/86/59/647428659.db2.gz ULGKZQIEPZPZFX-GOSISDBHSA-N 1 3 309.498 2.443 20 0 DEADHO Cc1ccc([C@H](O)C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000819083815 647580320 /nfs/dbraw/zinc/58/03/20/647580320.db2.gz GIEKBLCNHITZJJ-QFBILLFUSA-N 1 3 318.461 2.119 20 0 DEADHO Cc1cc(F)ccc1[C@H](O)CNCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000819265437 647621117 /nfs/dbraw/zinc/62/11/17/647621117.db2.gz PCMXNHAFQASIBD-CRAIPNDOSA-N 1 3 324.440 2.258 20 0 DEADHO Cc1cc(F)ccc1[C@H](O)CNCCC[N@H+]1CCCO[C@H](C)C1 ZINC000819265437 647621120 /nfs/dbraw/zinc/62/11/20/647621120.db2.gz PCMXNHAFQASIBD-CRAIPNDOSA-N 1 3 324.440 2.258 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC2(CCCC2)C1 ZINC000820080609 647780172 /nfs/dbraw/zinc/78/01/72/647780172.db2.gz GBDNJGZNEKALFU-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC2(CCCC2)C1 ZINC000820080609 647780173 /nfs/dbraw/zinc/78/01/73/647780173.db2.gz GBDNJGZNEKALFU-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO Cc1cc(C)nc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000930134682 648242732 /nfs/dbraw/zinc/24/27/32/648242732.db2.gz ADHZIHHPYISPQL-QFBILLFUSA-N 1 3 316.493 2.156 20 0 DEADHO Cc1cc(C)nc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000930134682 648242733 /nfs/dbraw/zinc/24/27/33/648242733.db2.gz ADHZIHHPYISPQL-QFBILLFUSA-N 1 3 316.493 2.156 20 0 DEADHO CCN1CC[C@H](C[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000233516392 648343771 /nfs/dbraw/zinc/34/37/71/648343771.db2.gz GDIZWUOLMYHNCO-CABCVRRESA-N 1 3 311.470 2.317 20 0 DEADHO CC[N@@H+]1CC[C@H](CNC[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000233516392 648343776 /nfs/dbraw/zinc/34/37/76/648343776.db2.gz GDIZWUOLMYHNCO-CABCVRRESA-N 1 3 311.470 2.317 20 0 DEADHO CC[N@H+]1CC[C@H](CNC[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000233516392 648343778 /nfs/dbraw/zinc/34/37/78/648343778.db2.gz GDIZWUOLMYHNCO-CABCVRRESA-N 1 3 311.470 2.317 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@H]2C[C@H]2C[C@H]1C ZINC000824819824 648657503 /nfs/dbraw/zinc/65/75/03/648657503.db2.gz QCTOLAIAGQDANZ-ZHCJQAHYSA-N 1 3 309.498 2.057 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@H]2C[C@H]2C[C@H]1C ZINC000824819824 648657506 /nfs/dbraw/zinc/65/75/06/648657506.db2.gz QCTOLAIAGQDANZ-ZHCJQAHYSA-N 1 3 309.498 2.057 20 0 DEADHO CCC[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC000939799870 648727022 /nfs/dbraw/zinc/72/70/22/648727022.db2.gz DFOXCKDZARXWRD-RHSMWYFYSA-N 1 3 303.450 2.208 20 0 DEADHO [NH3+][C@@H](CC(=O)NC[C@@H](c1cccs1)N1CCCC1)C1CC1 ZINC000825796093 648812484 /nfs/dbraw/zinc/81/24/84/648812484.db2.gz VCHYHVXKQYQNDH-KBPBESRZSA-N 1 3 307.463 2.129 20 0 DEADHO C[C@H]1C[N@H+](CC2CCC2)CC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942558511 649244715 /nfs/dbraw/zinc/24/47/15/649244715.db2.gz XRIYWWKNIWTMEW-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1C[N@@H+](CC2CCC2)CC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942558511 649244717 /nfs/dbraw/zinc/24/47/17/649244717.db2.gz XRIYWWKNIWTMEW-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1C[N@H+](CCC2CC2)CC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942555680 649246051 /nfs/dbraw/zinc/24/60/51/649246051.db2.gz OHMWXEZANHTWEL-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1C[N@@H+](CCC2CC2)CC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942555680 649246052 /nfs/dbraw/zinc/24/60/52/649246052.db2.gz OHMWXEZANHTWEL-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO [NH3+][C@H](CC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)C1CC1 ZINC000831826423 649647517 /nfs/dbraw/zinc/64/75/17/649647517.db2.gz BOLYEUFTHYWPSV-MSOLQXFVSA-N 1 3 315.461 2.457 20 0 DEADHO CCN1CCN(c2ccc(NC(=O)CCC(C)(C)[NH3+])cc2)CC1 ZINC000844191735 651089626 /nfs/dbraw/zinc/08/96/26/651089626.db2.gz RDARSZJSGXKPPM-UHFFFAOYSA-N 1 3 318.465 2.285 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000844198229 651090547 /nfs/dbraw/zinc/09/05/47/651090547.db2.gz GHAXSGIEGSNKHK-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H](O)c1ccc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000848527247 651467475 /nfs/dbraw/zinc/46/74/75/651467475.db2.gz WGEWXWJAFKQYQS-KXBFYZLASA-N 1 3 318.461 2.473 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCC1C[C@H](C)O[C@@H](C)C1 ZINC000848992635 651574361 /nfs/dbraw/zinc/57/43/61/651574361.db2.gz NWXLTNSBUPWWBC-OFQRWUPVSA-N 1 3 310.486 2.178 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1cc(C)ccc1F ZINC000849037481 651590914 /nfs/dbraw/zinc/59/09/14/651590914.db2.gz KKICHFQQOXNLLR-HNNXBMFYSA-N 1 3 306.429 2.275 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(C)cc1 ZINC000849045272 651593448 /nfs/dbraw/zinc/59/34/48/651593448.db2.gz HGSYKLOTGBYCDG-IXDOHACOSA-N 1 3 300.450 2.449 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=S)Nc1ccccc1 ZINC000849275434 651635599 /nfs/dbraw/zinc/63/55/99/651635599.db2.gz OYVLPEXHFFVAFI-AWEZNQCLSA-N 1 3 308.495 2.245 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=S)Nc1ccccc1 ZINC000849275434 651635601 /nfs/dbraw/zinc/63/56/01/651635601.db2.gz OYVLPEXHFFVAFI-AWEZNQCLSA-N 1 3 308.495 2.245 20 0 DEADHO CC1(C)C[C@H]([NH3+])C[C@@H](NCCCS(=O)(=O)c2ccccc2)C1 ZINC000925490516 651954487 /nfs/dbraw/zinc/95/44/87/651954487.db2.gz HWKCFKJWSVOZSM-HUUCEWRRSA-N 1 3 324.490 2.346 20 0 DEADHO CC1(C)C[C@H](N)C[C@@H]([NH2+]CCCS(=O)(=O)c2ccccc2)C1 ZINC000925490516 651954490 /nfs/dbraw/zinc/95/44/90/651954490.db2.gz HWKCFKJWSVOZSM-HUUCEWRRSA-N 1 3 324.490 2.346 20 0 DEADHO COc1ccc(OC)c([C@@H](O)C[NH2+][C@H]2CCN(C)C(C)(C)C2)c1 ZINC000858092218 652252642 /nfs/dbraw/zinc/25/26/42/652252642.db2.gz ACILMCYRSGJKHR-BBRMVZONSA-N 1 3 322.449 2.200 20 0 DEADHO C[N@@H+]1CC[C@@H](N[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000858135725 652262791 /nfs/dbraw/zinc/26/27/91/652262791.db2.gz AJTMAWIPCDJZEH-KGLIPLIRSA-N 1 3 311.470 2.458 20 0 DEADHO C[N@H+]1CC[C@@H](N[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000858135725 652262793 /nfs/dbraw/zinc/26/27/93/652262793.db2.gz AJTMAWIPCDJZEH-KGLIPLIRSA-N 1 3 311.470 2.458 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CCCC[N@H+]1CC1CC1)N(CC)CC ZINC001370897645 1155621538 /nfs/dbraw/zinc/62/15/38/1155621538.db2.gz MOHMTUPBSGZNBJ-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@H](O)c1cccc2ccccc21 ZINC000854221001 652659542 /nfs/dbraw/zinc/65/95/42/652659542.db2.gz DQJQRDIWZAVBEX-VKOGCVSHSA-N 1 3 314.429 2.215 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+]CC2CCCC2)C1 ZINC001393165850 1157733098 /nfs/dbraw/zinc/73/30/98/1157733098.db2.gz VRSSWVRUBLQHKE-GOSISDBHSA-N 1 3 309.498 2.347 20 0 DEADHO CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001393892017 1158051064 /nfs/dbraw/zinc/05/10/64/1158051064.db2.gz COJBESIKQJTHMY-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001393892017 1158051072 /nfs/dbraw/zinc/05/10/72/1158051072.db2.gz COJBESIKQJTHMY-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCC2CC2)CC1(C)C)N(C)C ZINC001394313233 1158409124 /nfs/dbraw/zinc/40/91/24/1158409124.db2.gz UJJUSIMTDDDSMG-CVEARBPZSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCC2CC2)CC1(C)C)N(C)C ZINC001394313233 1158409126 /nfs/dbraw/zinc/40/91/26/1158409126.db2.gz UJJUSIMTDDDSMG-CVEARBPZSA-N 1 3 309.498 2.199 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000382764635 685405329 /nfs/dbraw/zinc/40/53/29/685405329.db2.gz QVGNLZTTYUPLDZ-MAUKXSAKSA-N 1 3 315.461 2.237 20 0 DEADHO C[C@@H](CNC(=O)c1cccn1C1CC[NH2+]CC1)N1CCCCC1 ZINC000390340091 685440212 /nfs/dbraw/zinc/44/02/12/685440212.db2.gz FZUIXQPLBOJMJW-HNNXBMFYSA-N 1 3 318.465 2.017 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000396591351 685462871 /nfs/dbraw/zinc/46/28/71/685462871.db2.gz CJUNOMSOGWJKDA-UHOSZYNNSA-N 1 3 317.477 2.008 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@@H]1NCCCOCCOCc1ccccc1 ZINC000396707802 685463066 /nfs/dbraw/zinc/46/30/66/685463066.db2.gz NXJFITVMMWTCBH-WMZOPIPTSA-N 1 3 306.450 2.340 20 0 DEADHO CC(C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001054144945 693862341 /nfs/dbraw/zinc/86/23/41/693862341.db2.gz FRAHAPDZJGRFCE-WMZOPIPTSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001054144945 693862342 /nfs/dbraw/zinc/86/23/42/693862342.db2.gz FRAHAPDZJGRFCE-WMZOPIPTSA-N 1 3 307.482 2.050 20 0 DEADHO CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001054198950 693878454 /nfs/dbraw/zinc/87/84/54/693878454.db2.gz KGGLSBODKVJVHL-WMZOPIPTSA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001054198950 693878459 /nfs/dbraw/zinc/87/84/59/693878459.db2.gz KGGLSBODKVJVHL-WMZOPIPTSA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001375509749 1158785428 /nfs/dbraw/zinc/78/54/28/1158785428.db2.gz FBJIIBHHXCJATC-WCVJEAGWSA-N 1 3 313.461 2.093 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC1=CCCCC1 ZINC001054735575 694035281 /nfs/dbraw/zinc/03/52/81/694035281.db2.gz HFHHIPWSQWMSIS-CRAIPNDOSA-N 1 3 319.493 2.408 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000864057792 686607953 /nfs/dbraw/zinc/60/79/53/686607953.db2.gz QVECFYLSLBWZTL-OAHLLOKOSA-N 1 3 324.513 2.280 20 0 DEADHO CC1(C)CCCN1CCNC(=[NH2+])Nc1ccc(CCO)cc1 ZINC000864465838 686730390 /nfs/dbraw/zinc/73/03/90/686730390.db2.gz DPFZWQSLJNVYJQ-UHFFFAOYSA-N 1 3 304.438 2.032 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+]Cc2cc(F)ccc2N(C)C)CC1 ZINC000865414071 687203305 /nfs/dbraw/zinc/20/33/05/687203305.db2.gz IJGPHDSEIUFMRC-OAHLLOKOSA-N 1 3 322.472 2.007 20 0 DEADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCN(CC3=CCCCC3)C2)C1 ZINC001015995867 687494822 /nfs/dbraw/zinc/49/48/22/687494822.db2.gz ADEPLIZXWAMHSN-IAGOWNOFSA-N 1 3 305.466 2.019 20 0 DEADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCN(CC3=CCCCC3)C2)C1 ZINC001015995867 687494826 /nfs/dbraw/zinc/49/48/26/687494826.db2.gz ADEPLIZXWAMHSN-IAGOWNOFSA-N 1 3 305.466 2.019 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H](c2ccccn2)C(C)C)CC1 ZINC000866231222 687502220 /nfs/dbraw/zinc/50/22/20/687502220.db2.gz STFKRQONRHTYIK-GOSISDBHSA-N 1 3 304.482 2.396 20 0 DEADHO CC(C)CN(Cc1nc(C(C)(C)N)no1)CC1CC[NH+](C)CC1 ZINC000866717465 687664283 /nfs/dbraw/zinc/66/42/83/687664283.db2.gz GFQRYJODUYGWCG-UHFFFAOYSA-N 1 3 323.485 2.063 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CC1)CC2 ZINC001016618155 687665547 /nfs/dbraw/zinc/66/55/47/687665547.db2.gz PTYQZCJHRHGFJJ-IRXDYDNUSA-N 1 3 319.493 2.240 20 0 DEADHO CC(C)C[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001016761593 687697549 /nfs/dbraw/zinc/69/75/49/687697549.db2.gz NVJUXWOYVOORAO-INIZCTEOSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC12CC[NH+](CC1CCC1)CC2 ZINC001016830730 687713189 /nfs/dbraw/zinc/71/31/89/687713189.db2.gz UQBZQGVFQCWYNA-WBVHZDCISA-N 1 3 319.493 2.242 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001017209421 687823752 /nfs/dbraw/zinc/82/37/52/687823752.db2.gz PBQGEHAFBAHPBK-RDJZCZTQSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC001017209421 687823758 /nfs/dbraw/zinc/82/37/58/687823758.db2.gz PBQGEHAFBAHPBK-RDJZCZTQSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H](C[N@H+](C)CC3CCC3)C2)C1 ZINC001017209746 687823916 /nfs/dbraw/zinc/82/39/16/687823916.db2.gz RQRGWUIEZFLSIR-SJLPKXTDSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H](C[N@@H+](C)CC3CCC3)C2)C1 ZINC001017209746 687823922 /nfs/dbraw/zinc/82/39/22/687823922.db2.gz RQRGWUIEZFLSIR-SJLPKXTDSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001018031427 688033409 /nfs/dbraw/zinc/03/34/09/688033409.db2.gz FWXANYPFJAODGP-HDICACEKSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)C1)C1CC1 ZINC001018966469 688263114 /nfs/dbraw/zinc/26/31/14/688263114.db2.gz JPEFQTVAQFCIKN-DLBZAZTESA-N 1 3 319.493 2.097 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCc3ccccc32)C1)N(C)C ZINC001019032163 688273904 /nfs/dbraw/zinc/27/39/04/688273904.db2.gz JOHZQNZGSUZXGD-CGTJXYLNSA-N 1 3 315.461 2.205 20 0 DEADHO CC(C)(C(=O)NC1CCC([NH2+]CCF)CC1)N1CCCCC1 ZINC001026493710 688528627 /nfs/dbraw/zinc/52/86/27/688528627.db2.gz LBIBHOJMOPYTQT-UHFFFAOYSA-N 1 3 313.461 2.237 20 0 DEADHO CCC[N@@H+]1CC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001029000467 688547699 /nfs/dbraw/zinc/54/76/99/688547699.db2.gz DRROFTROEGWCRV-OAHLLOKOSA-N 1 3 303.450 2.210 20 0 DEADHO CCC[N@H+]1CC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001029000467 688547701 /nfs/dbraw/zinc/54/77/01/688547701.db2.gz DRROFTROEGWCRV-OAHLLOKOSA-N 1 3 303.450 2.210 20 0 DEADHO O=C(CC[NH2+]CC1CC1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000870854355 688668279 /nfs/dbraw/zinc/66/82/79/688668279.db2.gz XKKSMAZXUCZINP-HNNXBMFYSA-N 1 3 321.490 2.391 20 0 DEADHO CN(C)C[C@@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)c1ccc(Cl)cc1 ZINC000870925613 688687977 /nfs/dbraw/zinc/68/79/77/688687977.db2.gz OVKAUOIGEKKSPZ-JWDQPFGJSA-N 1 3 321.852 2.186 20 0 DEADHO COC(=O)c1ccc(OC)c2c1CCN(CCCCCC[NH3+])C2 ZINC000872154473 688939702 /nfs/dbraw/zinc/93/97/02/688939702.db2.gz QZRJGNRMNKZHKD-UHFFFAOYSA-N 1 3 320.433 2.359 20 0 DEADHO CC(C)OC[C@@H](O)C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000872205474 688952146 /nfs/dbraw/zinc/95/21/46/688952146.db2.gz IAUHGNLFVNYKAL-NEWSRXKRSA-N 1 3 320.477 2.273 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCCC1)N(C)C ZINC001032459580 689156320 /nfs/dbraw/zinc/15/63/20/689156320.db2.gz HVWNUHNZKDZUIT-BZSNNMDCSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCCC1)N(C)C ZINC001032459580 689156323 /nfs/dbraw/zinc/15/63/23/689156323.db2.gz HVWNUHNZKDZUIT-BZSNNMDCSA-N 1 3 321.509 2.438 20 0 DEADHO Cc1noc(C2CCN(Cc3cc4c(s3)CC[NH2+]C4)CC2)n1 ZINC000873203545 689182099 /nfs/dbraw/zinc/18/20/99/689182099.db2.gz IJABZGLYIHKOFZ-UHFFFAOYSA-N 1 3 318.446 2.465 20 0 DEADHO c1c(CN2CCC(O[C@@H]3CCOC3)CC2)sc2c1C[NH2+]CC2 ZINC000873210015 689184394 /nfs/dbraw/zinc/18/43/94/689184394.db2.gz XLCGMQZCIVUPSY-OAHLLOKOSA-N 1 3 322.474 2.164 20 0 DEADHO COCCC1(NCc2cc(-n3ccnc3)cs2)CC[NH2+]CC1 ZINC000873224349 689187800 /nfs/dbraw/zinc/18/78/00/689187800.db2.gz CDIPSPMLQYFURQ-UHFFFAOYSA-N 1 3 320.462 2.182 20 0 DEADHO Nc1cnc(CN2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cn1 ZINC000873232194 689190979 /nfs/dbraw/zinc/19/09/79/689190979.db2.gz MSTREHCEWTWNKY-CJNGLKHVSA-N 1 3 303.454 2.178 20 0 DEADHO Cc1cccc(CN2CCO[C@H](CN[C@H]3CCC[C@H]([NH3+])C3)C2)c1 ZINC000873266936 689198020 /nfs/dbraw/zinc/19/80/20/689198020.db2.gz ULAQTRSTENTIGS-GBESFXJTSA-N 1 3 317.477 2.055 20 0 DEADHO CN(C)[C@@H](CNC(=O)N(C)CCCCCC[NH3+])c1ccccc1 ZINC000874429314 689411790 /nfs/dbraw/zinc/41/17/90/689411790.db2.gz GKWMDSQTHDJPJF-KRWDZBQOSA-N 1 3 320.481 2.450 20 0 DEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)CC[NH2+]C(C)(C)C ZINC000930983973 694286979 /nfs/dbraw/zinc/28/69/79/694286979.db2.gz WXTMDALVUFNBQC-UHFFFAOYSA-N 1 3 323.456 2.494 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001033295833 689452426 /nfs/dbraw/zinc/45/24/26/689452426.db2.gz NPUQQKYFJFGXNN-MSOLQXFVSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001033295833 689452430 /nfs/dbraw/zinc/45/24/30/689452430.db2.gz NPUQQKYFJFGXNN-MSOLQXFVSA-N 1 3 321.509 2.440 20 0 DEADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000874831551 689506657 /nfs/dbraw/zinc/50/66/57/689506657.db2.gz ZAGALFSGNGWSHZ-KZNAEPCWSA-N 1 3 319.493 2.479 20 0 DEADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000874831551 689506660 /nfs/dbraw/zinc/50/66/60/689506660.db2.gz ZAGALFSGNGWSHZ-KZNAEPCWSA-N 1 3 319.493 2.479 20 0 DEADHO CCCN(C(=O)NC1CCC(C)([NH+](C)C)CC1)[C@H]1CCN(C)C1 ZINC000876108065 689762109 /nfs/dbraw/zinc/76/21/09/689762109.db2.gz OMRWECZYRIQEKO-PQUAAJSLSA-N 1 3 324.513 2.375 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000876110355 689763636 /nfs/dbraw/zinc/76/36/36/689763636.db2.gz MQEPHVJTTSTFGT-UHFFFAOYSA-N 1 3 312.502 2.231 20 0 DEADHO C[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCF)CC1)N1CCCCCC1 ZINC001034749128 689939977 /nfs/dbraw/zinc/93/99/77/689939977.db2.gz HBZSBWOCIPMKMF-JYJNAYRXSA-N 1 3 313.461 2.237 20 0 DEADHO CC(C)CN(C(=O)/C=C/[C@@H]1CCC[NH2+]C1)C1CCN(C)CC1 ZINC000876876748 689961659 /nfs/dbraw/zinc/96/16/59/689961659.db2.gz UJHKQCGLXDCIRA-MOEXGYKKSA-N 1 3 307.482 2.121 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CC(C)C1)N(C)C ZINC001034965712 689999578 /nfs/dbraw/zinc/99/95/78/689999578.db2.gz LXTGMPQPUHZOBE-BACDZXNISA-N 1 3 309.498 2.199 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@H]1[NH2+]CC1(C)C ZINC000877031025 690001997 /nfs/dbraw/zinc/00/19/97/690001997.db2.gz PKGKHILLFOOBIA-DJIMGWMZSA-N 1 3 313.445 2.127 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@@H](C)[NH2+]C1CC1 ZINC000877030276 690002020 /nfs/dbraw/zinc/00/20/20/690002020.db2.gz DPUDYCRCMBNCMJ-MZMPZRCHSA-N 1 3 313.445 2.270 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000877030582 690002303 /nfs/dbraw/zinc/00/23/03/690002303.db2.gz IKWSMCCSRHLIOR-YOKBYHGQSA-N 1 3 301.434 2.113 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CC2CC(C)(C)C2)C1 ZINC001035049342 690021132 /nfs/dbraw/zinc/02/11/32/690021132.db2.gz MQGQTDLDVVHQLT-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001035669748 690147341 /nfs/dbraw/zinc/14/73/41/690147341.db2.gz WPGZTIKEMROKND-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO COCCN(Cc1cccc2c1OCO2)CC1CC[NH+](C)CC1 ZINC000877665045 690182699 /nfs/dbraw/zinc/18/26/99/690182699.db2.gz DYSFFJBQTQFHAM-UHFFFAOYSA-N 1 3 320.433 2.206 20 0 DEADHO C[NH+]1CCC2(CCN(Cc3cccc(C(N)=O)c3)CC2)CC1 ZINC000877684619 690190501 /nfs/dbraw/zinc/19/05/01/690190501.db2.gz QQOFZZAKLYUYDT-UHFFFAOYSA-N 1 3 301.434 2.093 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CC1CCCC1 ZINC001036063295 690250444 /nfs/dbraw/zinc/25/04/44/690250444.db2.gz JBMGFVCVQOQVPC-QAPCUYQASA-N 1 3 321.509 2.488 20 0 DEADHO Cc1ccccc1[C@H]1CCCN1CC(=O)NC1CC[NH+](C)CC1 ZINC000877975370 690275666 /nfs/dbraw/zinc/27/56/66/690275666.db2.gz HHTBMEKKJOGWLC-GOSISDBHSA-N 1 3 315.461 2.342 20 0 DEADHO C[C@H]([NH2+]CC1CC1)[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001036449722 690353196 /nfs/dbraw/zinc/35/31/96/690353196.db2.gz GXECHYSRKGEDSA-DOTOQJQBSA-N 1 3 321.509 2.345 20 0 DEADHO COC(=O)[C@@H]1CCCC[C@H]1CN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000931317176 694366413 /nfs/dbraw/zinc/36/64/13/694366413.db2.gz NJFZRAFHXCWTKZ-CIRFHOKZSA-N 1 3 308.466 2.239 20 0 DEADHO COC(=O)[C@@H]1CCCC[C@H]1CN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000931317176 694366414 /nfs/dbraw/zinc/36/64/14/694366414.db2.gz NJFZRAFHXCWTKZ-CIRFHOKZSA-N 1 3 308.466 2.239 20 0 DEADHO C[C@H]1CCCN(C(=O)CN(C)C2CCC2)[C@H]1C[NH2+]CC1CCC1 ZINC001036557162 690385304 /nfs/dbraw/zinc/38/53/04/690385304.db2.gz YEUGQCZHMOXAMC-YJBOKZPZSA-N 1 3 321.509 2.488 20 0 DEADHO CCCC[N@@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@@H]21 ZINC001036855013 690500130 /nfs/dbraw/zinc/50/01/30/690500130.db2.gz ULFFENYQUVZDEJ-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@@H]21 ZINC001036855013 690500133 /nfs/dbraw/zinc/50/01/33/690500133.db2.gz ULFFENYQUVZDEJ-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001037243434 690597542 /nfs/dbraw/zinc/59/75/42/690597542.db2.gz AMALMSKWWQPUBL-CVEARBPZSA-N 1 3 318.465 2.325 20 0 DEADHO CC[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CCC1CC1 ZINC001037856129 690624773 /nfs/dbraw/zinc/62/47/73/690624773.db2.gz YAMRQSVACFVUFT-IRXDYDNUSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCN(CCC[NH2+]C(C)(C)[C@@H]2CCCCO2)CC1 ZINC000879407068 690635659 /nfs/dbraw/zinc/63/56/59/690635659.db2.gz VMSINWQFSRBBCT-KRWDZBQOSA-N 1 3 311.514 2.340 20 0 DEADHO CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@H]1[NH2+]C(C)C ZINC001037951634 690647606 /nfs/dbraw/zinc/64/76/06/690647606.db2.gz TXVZBRZQAOCXFG-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO COc1cccc([C@H]2CN(CCCc3cncn3C)CC[NH2+]2)c1 ZINC000879523018 690660863 /nfs/dbraw/zinc/66/08/63/690660863.db2.gz RETXRRVJKOIRFO-GOSISDBHSA-N 1 3 314.433 2.008 20 0 DEADHO COc1cccc([C@H]2C[N@H+](CCCc3cncn3C)CCN2)c1 ZINC000879523018 690660865 /nfs/dbraw/zinc/66/08/65/690660865.db2.gz RETXRRVJKOIRFO-GOSISDBHSA-N 1 3 314.433 2.008 20 0 DEADHO COc1cccc([C@H]2C[N@@H+](CCCc3cncn3C)CCN2)c1 ZINC000879523018 690660868 /nfs/dbraw/zinc/66/08/68/690660868.db2.gz RETXRRVJKOIRFO-GOSISDBHSA-N 1 3 314.433 2.008 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC(C)(C)C ZINC001038320155 690779482 /nfs/dbraw/zinc/77/94/82/690779482.db2.gz GGGPKKFSAHHFMF-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCC(C)(C)C ZINC001038320155 690779484 /nfs/dbraw/zinc/77/94/84/690779484.db2.gz GGGPKKFSAHHFMF-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@]12CN(Cc3ccccc3)C[C@@H]1C[N@H+](CCn1ccnc1)C2 ZINC000880021986 690782269 /nfs/dbraw/zinc/78/22/69/690782269.db2.gz JJLYDFVFJRDODW-RBUKOAKNSA-N 1 3 310.445 2.337 20 0 DEADHO C[C@@]12CN(Cc3ccccc3)C[C@@H]1C[N@@H+](CCn1ccnc1)C2 ZINC000880021986 690782273 /nfs/dbraw/zinc/78/22/73/690782273.db2.gz JJLYDFVFJRDODW-RBUKOAKNSA-N 1 3 310.445 2.337 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039173423 691038856 /nfs/dbraw/zinc/03/88/56/691038856.db2.gz WENHWVGEUKRPIK-QGZVFWFLSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039173423 691038858 /nfs/dbraw/zinc/03/88/58/691038858.db2.gz WENHWVGEUKRPIK-QGZVFWFLSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039236571 691063730 /nfs/dbraw/zinc/06/37/30/691063730.db2.gz DOYZYRWUFWGTAF-WBVHZDCISA-N 1 3 318.465 2.311 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039236571 691063731 /nfs/dbraw/zinc/06/37/31/691063731.db2.gz DOYZYRWUFWGTAF-WBVHZDCISA-N 1 3 318.465 2.311 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1[C@@H]1CC[N@@H+](CCCF)C1 ZINC001039236480 691063779 /nfs/dbraw/zinc/06/37/79/691063779.db2.gz CQYBWWVWWYFNIN-GDBMZVCRSA-N 1 3 322.428 2.015 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1[C@@H]1CC[N@H+](CCCF)C1 ZINC001039236480 691063780 /nfs/dbraw/zinc/06/37/80/691063780.db2.gz CQYBWWVWWYFNIN-GDBMZVCRSA-N 1 3 322.428 2.015 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1[C@H]1CC[N@@H+](CCCF)C1 ZINC001039236482 691064087 /nfs/dbraw/zinc/06/40/87/691064087.db2.gz CQYBWWVWWYFNIN-HOCLYGCPSA-N 1 3 322.428 2.015 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1[C@H]1CC[N@H+](CCCF)C1 ZINC001039236482 691064090 /nfs/dbraw/zinc/06/40/90/691064090.db2.gz CQYBWWVWWYFNIN-HOCLYGCPSA-N 1 3 322.428 2.015 20 0 DEADHO CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C1CC1)N(C)C ZINC001039288643 691075588 /nfs/dbraw/zinc/07/55/88/691075588.db2.gz DJEISMNZUCDSBK-HMQMGEFJSA-N 1 3 307.482 2.238 20 0 DEADHO CCC1([NH+]2CCCCC2)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000881626423 691134461 /nfs/dbraw/zinc/13/44/61/691134461.db2.gz MWTJCYXWQIWPGW-MRXNPFEDSA-N 1 3 307.482 2.338 20 0 DEADHO CC(C)=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC001040109121 691197786 /nfs/dbraw/zinc/19/77/86/691197786.db2.gz OYXNAYPGVXOKEJ-MJGOQNOKSA-N 1 3 319.493 2.361 20 0 DEADHO CC(C)=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC001040109121 691197788 /nfs/dbraw/zinc/19/77/88/691197788.db2.gz OYXNAYPGVXOKEJ-MJGOQNOKSA-N 1 3 319.493 2.361 20 0 DEADHO CN(CC(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2)C1CCC1 ZINC001040242699 691219388 /nfs/dbraw/zinc/21/93/88/691219388.db2.gz ZTBGGBFABYOUBQ-LJQANCHMSA-N 1 3 319.493 2.195 20 0 DEADHO CN(CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CC1)C2)C1CCC1 ZINC001040242699 691219390 /nfs/dbraw/zinc/21/93/90/691219390.db2.gz ZTBGGBFABYOUBQ-LJQANCHMSA-N 1 3 319.493 2.195 20 0 DEADHO CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001040393700 691241261 /nfs/dbraw/zinc/24/12/61/691241261.db2.gz CRCULMQXZJZCIC-FUHWJXTLSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001040393700 691241263 /nfs/dbraw/zinc/24/12/63/691241263.db2.gz CRCULMQXZJZCIC-FUHWJXTLSA-N 1 3 307.482 2.195 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC2(C1)CC[NH+](CC1CC1)CC2)C1CC1 ZINC001040727110 691282888 /nfs/dbraw/zinc/28/28/88/691282888.db2.gz ORZMGLGYKPXQOM-KRWDZBQOSA-N 1 3 319.493 2.051 20 0 DEADHO CC[C@H](C(=O)N1CCC2(C1)CC[NH+](CCC1CC1)CC2)N(C)C ZINC001040744870 691283842 /nfs/dbraw/zinc/28/38/42/691283842.db2.gz DZIUYPYOJNYLEV-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001041842090 691443387 /nfs/dbraw/zinc/44/33/87/691443387.db2.gz ANVUOOVAEPTOML-LJQANCHMSA-N 1 3 315.461 2.306 20 0 DEADHO CC[N@H+]1CC[C@@]2(CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001041842090 691443390 /nfs/dbraw/zinc/44/33/90/691443390.db2.gz ANVUOOVAEPTOML-LJQANCHMSA-N 1 3 315.461 2.306 20 0 DEADHO O=c1oc2ccc(CN[C@H]3CCC[N@@H+]4CCCC[C@H]34)cc2o1 ZINC000883161938 691444909 /nfs/dbraw/zinc/44/49/09/691444909.db2.gz FZGTYBMCVPXVMS-UONOGXRCSA-N 1 3 302.374 2.493 20 0 DEADHO O=c1oc2ccc(CN[C@H]3CCC[N@H+]4CCCC[C@H]34)cc2o1 ZINC000883161938 691444912 /nfs/dbraw/zinc/44/49/12/691444912.db2.gz FZGTYBMCVPXVMS-UONOGXRCSA-N 1 3 302.374 2.493 20 0 DEADHO NCc1cn([C@H]2CCC[N@H+](CC[C@H]3CCCC3(F)F)C2)nn1 ZINC000883432170 691507867 /nfs/dbraw/zinc/50/78/67/691507867.db2.gz LVTLDNSBVSZDMJ-OCCSQVGLSA-N 1 3 313.396 2.199 20 0 DEADHO NCc1cn([C@H]2CCC[N@@H+](CC[C@H]3CCCC3(F)F)C2)nn1 ZINC000883432170 691507872 /nfs/dbraw/zinc/50/78/72/691507872.db2.gz LVTLDNSBVSZDMJ-OCCSQVGLSA-N 1 3 313.396 2.199 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@H]21 ZINC001042312980 691566424 /nfs/dbraw/zinc/56/64/24/691566424.db2.gz GWPPOTAHQVGEKW-KGLIPLIRSA-N 1 3 304.438 2.020 20 0 DEADHO CCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@H]21 ZINC001042312980 691566426 /nfs/dbraw/zinc/56/64/26/691566426.db2.gz GWPPOTAHQVGEKW-KGLIPLIRSA-N 1 3 304.438 2.020 20 0 DEADHO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000884176874 691674982 /nfs/dbraw/zinc/67/49/82/691674982.db2.gz SPVBSTTZJAKVPQ-JKSUJKDBSA-N 1 3 305.466 2.415 20 0 DEADHO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H](N)CC1CC1)c1ccccc1 ZINC000884212717 691684265 /nfs/dbraw/zinc/68/42/65/691684265.db2.gz LJDUMTUOPOMDQW-BBRMVZONSA-N 1 3 303.450 2.359 20 0 DEADHO N[C@H](CC1CC1)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000884312758 691706909 /nfs/dbraw/zinc/70/69/09/691706909.db2.gz MXWBNEASDHFLJJ-QGZVFWFLSA-N 1 3 301.434 2.391 20 0 DEADHO CC(C)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@@H](C)C1 ZINC001044742223 691880943 /nfs/dbraw/zinc/88/09/43/691880943.db2.gz HCIMWFXLGAMCDH-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccsc1)N(C)C ZINC001045089336 691936812 /nfs/dbraw/zinc/93/68/12/691936812.db2.gz FVFBRTIEUDINOL-LSDHHAIUSA-N 1 3 309.479 2.169 20 0 DEADHO CC(C)[NH2+]C[C@@H]1CCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001045200358 691951332 /nfs/dbraw/zinc/95/13/32/691951332.db2.gz VVRUOEMRWNXXIU-YOEHRIQHSA-N 1 3 313.461 2.188 20 0 DEADHO CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001045944748 692058813 /nfs/dbraw/zinc/05/88/13/692058813.db2.gz HLOLQHNXTWSQLC-FUHWJXTLSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001045944748 692058815 /nfs/dbraw/zinc/05/88/15/692058815.db2.gz HLOLQHNXTWSQLC-FUHWJXTLSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[NH+]1CCC(NC[C@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)CC1 ZINC000886771936 692188561 /nfs/dbraw/zinc/18/85/61/692188561.db2.gz QGUFOGNUWXMKJQ-CWLKWCNXSA-N 1 3 310.482 2.421 20 0 DEADHO C([C@@H]1CC2(CO1)CCOCC2)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874777 692217794 /nfs/dbraw/zinc/21/77/94/692217794.db2.gz WOLFIFAKOMDBKV-WMZOPIPTSA-N 1 3 308.466 2.038 20 0 DEADHO Cc1ccc(CN2CC[C@](C)(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001046834922 692311671 /nfs/dbraw/zinc/31/16/71/692311671.db2.gz XYDSQCYEGMCALS-HKUYNNGSSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccc(CN2CC[C@](C)(NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001046834922 692311676 /nfs/dbraw/zinc/31/16/76/692311676.db2.gz XYDSQCYEGMCALS-HKUYNNGSSA-N 1 3 315.461 2.027 20 0 DEADHO CCC[NH+]1CCC([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001047259758 692403686 /nfs/dbraw/zinc/40/36/86/692403686.db2.gz STAAGGSOFZAZJM-INIZCTEOSA-N 1 3 318.465 2.313 20 0 DEADHO C[C@H]([NH2+]CC1CCC1)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047869748 692504239 /nfs/dbraw/zinc/50/42/39/692504239.db2.gz RSMVJDVAZAGZMP-GOEBONIOSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]([NH2+]CC1CCCCC1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048067113 692541952 /nfs/dbraw/zinc/54/19/52/692541952.db2.gz RNQSVDDQLFLRCH-FUHWJXTLSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C[NH2+]CC1CCCC1 ZINC001048279228 692589970 /nfs/dbraw/zinc/58/99/70/692589970.db2.gz HSWHPLGYEYLNIM-RDJZCZTQSA-N 1 3 321.509 2.345 20 0 DEADHO CCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001049097089 692763251 /nfs/dbraw/zinc/76/32/51/692763251.db2.gz FNPHZGCZAHHTIK-KSZLIROESA-N 1 3 321.509 2.440 20 0 DEADHO CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001049097089 692763254 /nfs/dbraw/zinc/76/32/54/692763254.db2.gz FNPHZGCZAHHTIK-KSZLIROESA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@@H](C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@H]2C1 ZINC001049233716 692796237 /nfs/dbraw/zinc/79/62/37/692796237.db2.gz RCCFLVAAXWHESN-ZJPYXAASSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@@H](C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@H]2C1 ZINC001049233716 692796239 /nfs/dbraw/zinc/79/62/39/692796239.db2.gz RCCFLVAAXWHESN-ZJPYXAASSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC1CC1)N(C)C ZINC001049698051 692967989 /nfs/dbraw/zinc/96/79/89/692967989.db2.gz BISMPXCSRDLFMY-FGTMMUONSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC1CC1)N(C)C ZINC001049698051 692967992 /nfs/dbraw/zinc/96/79/92/692967992.db2.gz BISMPXCSRDLFMY-FGTMMUONSA-N 1 3 321.509 2.438 20 0 DEADHO CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)N1CCCCCC1 ZINC001049768411 692994234 /nfs/dbraw/zinc/99/42/34/692994234.db2.gz WLAUYRAJTKBPOP-BRWVUGGUSA-N 1 3 307.482 2.336 20 0 DEADHO CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)N1CCCCCC1 ZINC001049768411 692994240 /nfs/dbraw/zinc/99/42/40/692994240.db2.gz WLAUYRAJTKBPOP-BRWVUGGUSA-N 1 3 307.482 2.336 20 0 DEADHO CO[C@H](C[NH2+][C@H](CCN(C)C)c1cccnc1)C1CCOCC1 ZINC000896716739 693011103 /nfs/dbraw/zinc/01/11/03/693011103.db2.gz LBCHNRPANDXGBX-QZTJIDSGSA-N 1 3 321.465 2.106 20 0 DEADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(-n2ccnc2)c(F)c1 ZINC000924776225 693183945 /nfs/dbraw/zinc/18/39/45/693183945.db2.gz MZJIIESZMXRQDA-MVVMVCHASA-N 1 3 314.408 2.441 20 0 DEADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(-n2ccnc2)c(F)c1 ZINC000924776225 693183947 /nfs/dbraw/zinc/18/39/47/693183947.db2.gz MZJIIESZMXRQDA-MVVMVCHASA-N 1 3 314.408 2.441 20 0 DEADHO CN(C)[C@H](C(=O)N1CC2(C1)CC[NH+](CCC1CC1)CC2)C1CC1 ZINC001050544113 693204560 /nfs/dbraw/zinc/20/45/60/693204560.db2.gz NXRKMYACEYGZOR-KRWDZBQOSA-N 1 3 319.493 2.051 20 0 DEADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2c(C)noc2C)CC1 ZINC000924949636 693205921 /nfs/dbraw/zinc/20/59/21/693205921.db2.gz HCDSSKAFCMCGRC-KGLIPLIRSA-N 1 3 308.470 2.216 20 0 DEADHO COc1ccc(OC)c([C@H](O)CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925537650 693292290 /nfs/dbraw/zinc/29/22/90/693292290.db2.gz LDFMLDLZJOBHGF-XJKCOSOUSA-N 1 3 322.449 2.233 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@@H]1NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000925547506 693294324 /nfs/dbraw/zinc/29/43/24/693294324.db2.gz VZTVLMBOQNUYDH-GUYCJALGSA-N 1 3 319.424 2.160 20 0 DEADHO O=C(CCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)Nc1ccccn1 ZINC000925598302 693306669 /nfs/dbraw/zinc/30/66/69/693306669.db2.gz UZLRHBZLWQUBOJ-HZPDHXFCSA-N 1 3 316.449 2.168 20 0 DEADHO COc1cc(CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)ccc1OCCO ZINC000925612943 693308462 /nfs/dbraw/zinc/30/84/62/693308462.db2.gz OMBKXGHOEOBRCU-LSDHHAIUSA-N 1 3 322.449 2.062 20 0 DEADHO c1ccc(CN2CCCCC[C@@H](N[C@@H]3C[NH2+]CCOC3)C2)cc1 ZINC000925724544 693330221 /nfs/dbraw/zinc/33/02/21/693330221.db2.gz KJFOWAMGUMZAEJ-RTBURBONSA-N 1 3 317.477 2.009 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000926284638 693428390 /nfs/dbraw/zinc/42/83/90/693428390.db2.gz NUWZRHACGGMSFY-HWTVXGGTSA-N 1 3 318.436 2.222 20 0 DEADHO C[C@@H](N[C@@H](C)CN(C)CCC[NH+](C)C)c1cn2c(n1)CCCC2 ZINC000926683846 693492038 /nfs/dbraw/zinc/49/20/38/693492038.db2.gz AKTJFNUWDODDNE-JKSUJKDBSA-N 1 3 321.513 2.142 20 0 DEADHO CC(C)CCN1CCC([NH2+][C@@H]2CC(=O)N(CC3CC3)C2)CC1 ZINC000926861835 693520116 /nfs/dbraw/zinc/52/01/16/693520116.db2.gz CHXIJOQOVBFQKK-QGZVFWFLSA-N 1 3 307.482 2.097 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCCF)CC1 ZINC001052428975 693532605 /nfs/dbraw/zinc/53/26/05/693532605.db2.gz KUZHOYDQMXVBBF-HZPDHXFCSA-N 1 3 313.461 2.191 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCF)CC1 ZINC001052428975 693532610 /nfs/dbraw/zinc/53/26/10/693532610.db2.gz KUZHOYDQMXVBBF-HZPDHXFCSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001052702285 693599590 /nfs/dbraw/zinc/59/95/90/693599590.db2.gz LYDCYKRASMEHGH-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001052702285 693599592 /nfs/dbraw/zinc/59/95/92/693599592.db2.gz LYDCYKRASMEHGH-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053029401 693673729 /nfs/dbraw/zinc/67/37/29/693673729.db2.gz RDODLLBXUNUAHO-DLBZAZTESA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053029401 693673731 /nfs/dbraw/zinc/67/37/31/693673731.db2.gz RDODLLBXUNUAHO-DLBZAZTESA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21 ZINC000932416350 694609663 /nfs/dbraw/zinc/60/96/63/694609663.db2.gz OKDHKIBTMVJKSL-WMZOPIPTSA-N 1 3 315.461 2.379 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@]1(C)CCC[N@H+](CCCF)C1)N(C)C ZINC001375945793 1159012489 /nfs/dbraw/zinc/01/24/89/1159012489.db2.gz JMRZJZXFJKEHLO-DOTOQJQBSA-N 1 3 315.477 2.151 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@]1(C)CCC[N@@H+](CCCF)C1)N(C)C ZINC001375945793 1159012497 /nfs/dbraw/zinc/01/24/97/1159012497.db2.gz JMRZJZXFJKEHLO-DOTOQJQBSA-N 1 3 315.477 2.151 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@H]([NH2+]CC2CC2)C2CC2)c1 ZINC001402367750 1162333947 /nfs/dbraw/zinc/33/39/47/1162333947.db2.gz CGKUFQXDCCBGAL-SFHVURJKSA-N 1 3 315.461 2.256 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@H]2CN(CN3CCC4(CCCC4)C3=O)C[C@@H]2C1 ZINC001334725533 1150336528 /nfs/dbraw/zinc/33/65/28/1150336528.db2.gz OWONBJZIDYDAGB-YESZJQIVSA-N 1 3 319.493 2.399 20 0 DEADHO CC[C@H](OCC[NH2+]C[C@H](O)CN1CCCC1)c1ccccc1 ZINC001336003277 1150587773 /nfs/dbraw/zinc/58/77/73/1150587773.db2.gz OJMMSJYCWMFMBO-ROUUACIJSA-N 1 3 306.450 2.201 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001402540547 1162385539 /nfs/dbraw/zinc/38/55/39/1162385539.db2.gz XLKFVKWNCBVFGV-QAQDUYKDSA-N 1 3 303.450 2.074 20 0 DEADHO C[NH+](C)CCC(=O)N1CCC[C@@H]2CN(C/C=C/Cl)CC[C@H]21 ZINC001402581605 1162400556 /nfs/dbraw/zinc/40/05/56/1162400556.db2.gz PGHAWKYXCMGDBH-GMLRFVCHSA-N 1 3 313.873 2.004 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C\c2ccccc2)C1)N(C)C ZINC001402615123 1162410658 /nfs/dbraw/zinc/41/06/58/1162410658.db2.gz ZIXRPWMSLMWRRH-BHWLATHGSA-N 1 3 315.461 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC001402637913 1162421935 /nfs/dbraw/zinc/42/19/35/1162421935.db2.gz UKXDBXPWYHNPKI-AEGPPILISA-N 1 3 306.454 2.180 20 0 DEADHO CC[C@H](F)C[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001402770287 1162465670 /nfs/dbraw/zinc/46/56/70/1162465670.db2.gz NJCLDNZSDIQJSV-GJZGRUSLSA-N 1 3 315.477 2.291 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001402781863 1162470470 /nfs/dbraw/zinc/47/04/70/1162470470.db2.gz NQGITYXNPFDVES-CJNGLKHVSA-N 1 3 318.465 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001402781863 1162470473 /nfs/dbraw/zinc/47/04/73/1162470473.db2.gz NQGITYXNPFDVES-CJNGLKHVSA-N 1 3 318.465 2.277 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@@H](C[NH2+]Cc2ccsc2)C2CC2)C1 ZINC001379896340 1152710263 /nfs/dbraw/zinc/71/02/63/1152710263.db2.gz KWINFCHGOQQDPO-CJNGLKHVSA-N 1 3 321.490 2.074 20 0 DEADHO C[NH+]1CCC(CC(=O)NC[C@H]2CCN2CCCC2CCC2)CC1 ZINC001380025992 1152734296 /nfs/dbraw/zinc/73/42/96/1152734296.db2.gz UFEKSKAYIQYKGW-GOSISDBHSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](C(C)C)C1 ZINC001380475238 1152818889 /nfs/dbraw/zinc/81/88/89/1152818889.db2.gz XZBAORKQEGPTQG-SJLPKXTDSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@]1(C)CCC[N@H+](C(C)C)C1 ZINC001380475238 1152818891 /nfs/dbraw/zinc/81/88/91/1152818891.db2.gz XZBAORKQEGPTQG-SJLPKXTDSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]([NH2+]CCC1CCCC1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001380679132 1152843176 /nfs/dbraw/zinc/84/31/76/1152843176.db2.gz XSRGZOSNUDYKQV-FUHWJXTLSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@H](C(=O)NCc1cccc2c1CC[N@H+](CC)C2)N(C)C ZINC001380826572 1152861382 /nfs/dbraw/zinc/86/13/82/1152861382.db2.gz WACUHJBHIJVYPS-QGZVFWFLSA-N 1 3 303.450 2.021 20 0 DEADHO CC[C@H](C(=O)NCc1cccc2c1CC[N@@H+](CC)C2)N(C)C ZINC001380826572 1152861384 /nfs/dbraw/zinc/86/13/84/1152861384.db2.gz WACUHJBHIJVYPS-QGZVFWFLSA-N 1 3 303.450 2.021 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001362840296 1153111021 /nfs/dbraw/zinc/11/10/21/1153111021.db2.gz BTIFLXZWNDXOSX-JYJNAYRXSA-N 1 3 307.482 2.240 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001362840296 1153111026 /nfs/dbraw/zinc/11/10/26/1153111026.db2.gz BTIFLXZWNDXOSX-JYJNAYRXSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H]1CN(C(=O)C2(N(C)C)CCCC2)CC[N@@H+](C2CCC2)C1 ZINC001362899322 1153134765 /nfs/dbraw/zinc/13/47/65/1153134765.db2.gz LGONUZDDHOIYJO-OAHLLOKOSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1CN(C(=O)C2(N(C)C)CCCC2)CC[N@H+](C2CCC2)C1 ZINC001362899322 1153134770 /nfs/dbraw/zinc/13/47/70/1153134770.db2.gz LGONUZDDHOIYJO-OAHLLOKOSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[NH+]1CCC(CCNC(=O)C2(N(C)C)CCCC2)CC1 ZINC001363162696 1153248732 /nfs/dbraw/zinc/24/87/32/1153248732.db2.gz RFVXZHBYYLZCQL-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)NC1(C2CC[NH+](CC(C)C)CC2)CC1)N(C)C ZINC001382589234 1153476967 /nfs/dbraw/zinc/47/69/67/1153476967.db2.gz MWELHXRDVUAVLF-INIZCTEOSA-N 1 3 309.498 2.343 20 0 DEADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCCN(C(=O)OC(C)(C)C)C3)[C@H]2C1 ZINC001363675279 1153548443 /nfs/dbraw/zinc/54/84/43/1153548443.db2.gz DTHSELNFFJGFHG-FZKCQIBNSA-N 1 3 323.481 2.316 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1cccc(Cl)c1 ZINC001403006612 1162619286 /nfs/dbraw/zinc/61/92/86/1162619286.db2.gz PNNSZJKENHNMAE-KBPBESRZSA-N 1 3 323.868 2.276 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001388699359 1155070126 /nfs/dbraw/zinc/07/01/26/1155070126.db2.gz HYAAOVZSDQSBRV-OKILXGFUSA-N 1 3 306.454 2.181 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)CC(C)(C)C1)N(C)C ZINC001388840026 1155131419 /nfs/dbraw/zinc/13/14/19/1155131419.db2.gz PFVHBWBFJJBEIV-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1)N(C)C ZINC001388840026 1155131420 /nfs/dbraw/zinc/13/14/20/1155131420.db2.gz PFVHBWBFJJBEIV-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCCCN1C(C)C)C1CC1 ZINC001389669311 1155392099 /nfs/dbraw/zinc/39/20/99/1155392099.db2.gz FRUDQMHFAMGJAJ-SJORKVTESA-N 1 3 309.498 2.390 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C)cc1F ZINC001403091841 1162702751 /nfs/dbraw/zinc/70/27/51/1162702751.db2.gz NRVLNJQELJSIRS-YOEHRIQHSA-N 1 3 323.456 2.315 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@H]1CCc2c1cccc2F ZINC001403102789 1162716152 /nfs/dbraw/zinc/71/61/52/1162716152.db2.gz NJNZAQPOMIZBQZ-GUYCJALGSA-N 1 3 321.440 2.249 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC1CC1)N(CC)CC ZINC001370897645 1155621535 /nfs/dbraw/zinc/62/15/35/1155621535.db2.gz MOHMTUPBSGZNBJ-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1cc(C)sc1C)N(C)C ZINC001390411682 1155707526 /nfs/dbraw/zinc/70/75/26/1155707526.db2.gz MJFMCQOPOMMZIU-IAQYHMDHSA-N 1 3 311.495 2.299 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(C)cc1C)N(C)C ZINC001390483254 1155755083 /nfs/dbraw/zinc/75/50/83/1155755083.db2.gz PYWXHHFSURSCLF-RDJZCZTQSA-N 1 3 305.466 2.238 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001390569902 1155805550 /nfs/dbraw/zinc/80/55/50/1155805550.db2.gz DGGVQKFYCOIWDU-HKMNZKMDSA-N 1 3 315.461 2.232 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001371556784 1155871311 /nfs/dbraw/zinc/87/13/11/1155871311.db2.gz RLPIQOCZHVJYIN-KRWDZBQOSA-N 1 3 303.450 2.026 20 0 DEADHO C[C@@H](c1cccc(F)c1)N(C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001390846470 1155889609 /nfs/dbraw/zinc/88/96/09/1155889609.db2.gz QQZHBKJAVJEGGA-AWEZNQCLSA-N 1 3 319.424 2.031 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccns2)C1 ZINC001371659777 1155896945 /nfs/dbraw/zinc/89/69/45/1155896945.db2.gz OTHAYKQOLQXBQN-KBPBESRZSA-N 1 3 324.494 2.000 20 0 DEADHO CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)CCC1CCCC1 ZINC001390958910 1156009791 /nfs/dbraw/zinc/00/97/91/1156009791.db2.gz NTJMXUJVPJTPFJ-MRXNPFEDSA-N 1 3 309.498 2.347 20 0 DEADHO CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)CCC1CCCC1 ZINC001390958910 1156009797 /nfs/dbraw/zinc/00/97/97/1156009797.db2.gz NTJMXUJVPJTPFJ-MRXNPFEDSA-N 1 3 309.498 2.347 20 0 DEADHO CCC(CC)C[N@@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001391090826 1156097326 /nfs/dbraw/zinc/09/73/26/1156097326.db2.gz BUHCBDYAWWMPKP-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CCC(CC)C[N@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001391090826 1156097331 /nfs/dbraw/zinc/09/73/31/1156097331.db2.gz BUHCBDYAWWMPKP-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1)N(C)C ZINC001391108903 1156121211 /nfs/dbraw/zinc/12/12/11/1156121211.db2.gz YCNYIALYOVWADK-GOEBONIOSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1)N(C)C ZINC001391108903 1156121229 /nfs/dbraw/zinc/12/12/29/1156121229.db2.gz YCNYIALYOVWADK-GOEBONIOSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)CC1CC(C)(C)C1 ZINC001403125500 1162759138 /nfs/dbraw/zinc/75/91/38/1162759138.db2.gz DGGTTWZTPDALGJ-AWEZNQCLSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)CC1CC(C)(C)C1 ZINC001403125500 1162759152 /nfs/dbraw/zinc/75/91/52/1162759152.db2.gz DGGTTWZTPDALGJ-AWEZNQCLSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001391338376 1156344270 /nfs/dbraw/zinc/34/42/70/1156344270.db2.gz LVQGUMOUKKEKJK-QGZVFWFLSA-N 1 3 309.498 2.347 20 0 DEADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001391338376 1156344274 /nfs/dbraw/zinc/34/42/74/1156344274.db2.gz LVQGUMOUKKEKJK-QGZVFWFLSA-N 1 3 309.498 2.347 20 0 DEADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccc(C)c(F)c1 ZINC001372478511 1156453128 /nfs/dbraw/zinc/45/31/28/1156453128.db2.gz YJGDQHWZZIGMFJ-INIZCTEOSA-N 1 3 321.440 2.024 20 0 DEADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccc(C)c(F)c1 ZINC001372478511 1156453146 /nfs/dbraw/zinc/45/31/46/1156453146.db2.gz YJGDQHWZZIGMFJ-INIZCTEOSA-N 1 3 321.440 2.024 20 0 DEADHO CC(C)[C@H](C(=O)NCC1C[NH+](CCCC(C)(C)C)C1)N(C)C ZINC001391503395 1156474604 /nfs/dbraw/zinc/47/46/04/1156474604.db2.gz OZXYOXJMHIIJHG-MRXNPFEDSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001403155268 1162795994 /nfs/dbraw/zinc/79/59/94/1162795994.db2.gz CMRYESGESPFXOZ-AWEZNQCLSA-N 1 3 316.449 2.102 20 0 DEADHO C[C@H](NCCN(C)C(=O)CCC[NH+](C)C)c1ccccc1F ZINC001372944997 1156826340 /nfs/dbraw/zinc/82/63/40/1156826340.db2.gz JHPDCNHFZFBBEW-AWEZNQCLSA-N 1 3 309.429 2.277 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001391931259 1156835822 /nfs/dbraw/zinc/83/58/22/1156835822.db2.gz HGGJSDDIJATVLR-BBRMVZONSA-N 1 3 309.429 2.008 20 0 DEADHO Cc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCN2C)c1 ZINC001392048622 1156856803 /nfs/dbraw/zinc/85/68/03/1156856803.db2.gz HVKISOMZIBNAOF-NVXWUHKLSA-N 1 3 303.450 2.026 20 0 DEADHO CCc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCN2C)c1 ZINC001392053693 1156858168 /nfs/dbraw/zinc/85/81/68/1156858168.db2.gz VUVWOVYFVFJSBX-MAUKXSAKSA-N 1 3 317.477 2.280 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[N@H+](CCCF)C1 ZINC001373248769 1156898769 /nfs/dbraw/zinc/89/87/69/1156898769.db2.gz USLZPTVEFLCTEY-HZPDHXFCSA-N 1 3 313.461 2.049 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[N@@H+](CCCF)C1 ZINC001373248769 1156898770 /nfs/dbraw/zinc/89/87/70/1156898770.db2.gz USLZPTVEFLCTEY-HZPDHXFCSA-N 1 3 313.461 2.049 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H](C)CNCc1ccc(Cl)s1 ZINC001392522655 1157090166 /nfs/dbraw/zinc/09/01/66/1157090166.db2.gz HTZRORKQRUDGPH-LLVKDONJSA-N 1 3 317.886 2.338 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CNCc1ccc(Cl)s1 ZINC001392522655 1157090171 /nfs/dbraw/zinc/09/01/71/1157090171.db2.gz HTZRORKQRUDGPH-LLVKDONJSA-N 1 3 317.886 2.338 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccccc1C ZINC001392535948 1157096999 /nfs/dbraw/zinc/09/69/99/1157096999.db2.gz FXDGXQHWDIVJPF-AEFFLSMTSA-N 1 3 317.477 2.464 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCc2c1cccc2F ZINC001392610509 1157208051 /nfs/dbraw/zinc/20/80/51/1157208051.db2.gz QKYJFYMKKYKHGV-SUMWQHHRSA-N 1 3 321.440 2.249 20 0 DEADHO CC[C@H](C(=O)N[C@H](C[NH2+]Cc1ccccc1C)C1CC1)N(C)C ZINC001392784694 1157413658 /nfs/dbraw/zinc/41/36/58/1157413658.db2.gz NZBKADXUPUFZNC-QZTJIDSGSA-N 1 3 317.477 2.320 20 0 DEADHO CCCN(C)CC(=O)NC1(C)CC[NH+](CC2CCCC2)CC1 ZINC001393071183 1157655303 /nfs/dbraw/zinc/65/53/03/1157655303.db2.gz SEUMOUOHPAFOAP-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CN(CC[N@H+](C)CC1CC2(CCC2)C1)C(=O)[C@H]1CCCN1C ZINC001374520479 1157886263 /nfs/dbraw/zinc/88/62/63/1157886263.db2.gz NTKGZBSJSXGEDT-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CN(CC[N@@H+](C)CC1CC2(CCC2)C1)C(=O)[C@H]1CCCN1C ZINC001374520479 1157886264 /nfs/dbraw/zinc/88/62/64/1157886264.db2.gz NTKGZBSJSXGEDT-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+][C@@H]1CCc2ccccc21)N(C)C ZINC001393814272 1158005736 /nfs/dbraw/zinc/00/57/36/1158005736.db2.gz FBAKDGBDNMVJIJ-QGTPRVQTSA-N 1 3 317.477 2.499 20 0 DEADHO COc1cccc([C@H](C)[NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001374849776 1158055798 /nfs/dbraw/zinc/05/57/98/1158055798.db2.gz PIYGLYBLQFLHIR-CABCVRRESA-N 1 3 321.465 2.191 20 0 DEADHO CC[C@H](C(=O)NC1CC(C[NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001393902836 1158056019 /nfs/dbraw/zinc/05/60/19/1158056019.db2.gz NWEKZGSKHDWEHM-BDVYOWHSSA-N 1 3 321.440 2.150 20 0 DEADHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)[C@@H](C)[NH2+]CC1CC1 ZINC001393992862 1158143521 /nfs/dbraw/zinc/14/35/21/1158143521.db2.gz FHBDUCFNBACXEQ-ZIAGYGMSSA-N 1 3 303.450 2.255 20 0 DEADHO CC(C)(C(=O)N[C@H](C[NH2+]CC1CC1)C1CC1)N1CCCCC1 ZINC001375222619 1158389143 /nfs/dbraw/zinc/38/91/43/1158389143.db2.gz GTZPNXKLFGBWAN-MRXNPFEDSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC3CCC3)[C@@H]2C1 ZINC001394681042 1158671405 /nfs/dbraw/zinc/67/14/05/1158671405.db2.gz CMGCBBRFLSEQJZ-KSZLIROESA-N 1 3 321.509 2.343 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCC(F)(F)F)C(C)(C)C1 ZINC001394709776 1158713930 /nfs/dbraw/zinc/71/39/30/1158713930.db2.gz CHPHQJKQPJRPPD-GFCCVEGCSA-N 1 3 323.403 2.107 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]C/C=C/Cl)C1)N(C)C ZINC001375572618 1158817383 /nfs/dbraw/zinc/81/73/83/1158817383.db2.gz JJVHCQCFLRQREU-VSOAQEHZSA-N 1 3 315.889 2.200 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCCC[C@@H]([NH2+]CCC2CC2)C1 ZINC001375650687 1158838469 /nfs/dbraw/zinc/83/84/69/1158838469.db2.gz NUITTYPKSJXVDK-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCC(F)(F)F)C[C@@H]1C ZINC001375737169 1158858120 /nfs/dbraw/zinc/85/81/20/1158858120.db2.gz HSWDYHLIOQCXIN-QWHCGFSZSA-N 1 3 323.403 2.248 20 0 DEADHO Cc1ccccc1CN(C)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001403562037 1163003341 /nfs/dbraw/zinc/00/33/41/1163003341.db2.gz NETZAYMQAMOOJV-SFHVURJKSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1ccccc1CN(C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001403562037 1163003346 /nfs/dbraw/zinc/00/33/46/1163003346.db2.gz NETZAYMQAMOOJV-SFHVURJKSA-N 1 3 317.477 2.416 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CC12CC[NH+](CC1CCCC1)CC2)N(C)C ZINC001376168265 1159187792 /nfs/dbraw/zinc/18/77/92/1159187792.db2.gz BZRMWFVNZVGJKL-DLBZAZTESA-N 1 3 321.509 2.488 20 0 DEADHO Cc1ccc(CC[N@@H+](C)CCNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001403592096 1163029971 /nfs/dbraw/zinc/02/99/71/1163029971.db2.gz FXFDVPBVLDDXLY-SFHVURJKSA-N 1 3 319.493 2.172 20 0 DEADHO Cc1ccc(CC[N@H+](C)CCNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001403592096 1163029980 /nfs/dbraw/zinc/02/99/80/1163029980.db2.gz FXFDVPBVLDDXLY-SFHVURJKSA-N 1 3 319.493 2.172 20 0 DEADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(C)c1)N(C)C ZINC001403587246 1163024059 /nfs/dbraw/zinc/02/40/59/1163024059.db2.gz HGMTZEVGRSHXDD-RDJZCZTQSA-N 1 3 305.466 2.272 20 0 DEADHO CC(C)C[N@H+]1C[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001376415314 1159395960 /nfs/dbraw/zinc/39/59/60/1159395960.db2.gz DXTAOYDMJUIAKG-IYBDPMFKSA-N 1 3 309.498 2.011 20 0 DEADHO CC(C)C[N@@H+]1C[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001376415314 1159395966 /nfs/dbraw/zinc/39/59/66/1159395966.db2.gz DXTAOYDMJUIAKG-IYBDPMFKSA-N 1 3 309.498 2.011 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CCC[N@@H+](CCC(C)C)C1 ZINC001376535466 1159517160 /nfs/dbraw/zinc/51/71/60/1159517160.db2.gz YCLQWNZLFGBSPP-OAHLLOKOSA-N 1 3 306.454 2.135 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CCC[N@H+](CCC(C)C)C1 ZINC001376535466 1159517177 /nfs/dbraw/zinc/51/71/77/1159517177.db2.gz YCLQWNZLFGBSPP-OAHLLOKOSA-N 1 3 306.454 2.135 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CCC[N@@H+](CCC(C)C)C1 ZINC001376535457 1159518227 /nfs/dbraw/zinc/51/82/27/1159518227.db2.gz YCLQWNZLFGBSPP-HNNXBMFYSA-N 1 3 306.454 2.135 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CCC[N@H+](CCC(C)C)C1 ZINC001376535457 1159518234 /nfs/dbraw/zinc/51/82/34/1159518234.db2.gz YCLQWNZLFGBSPP-HNNXBMFYSA-N 1 3 306.454 2.135 20 0 DEADHO CC[C@@H](F)C[NH2+]C1CCC(NC(=O)C2(N(C)C)CCC2)CC1 ZINC001376665416 1159655296 /nfs/dbraw/zinc/65/52/96/1159655296.db2.gz SXELLNPCTLOVFO-WLYUNCDWSA-N 1 3 313.461 2.236 20 0 DEADHO CC[C@@H](C(=O)NCc1cccc2c1CC[N@@H+](C(C)C)C2)N(C)C ZINC001376671394 1159660939 /nfs/dbraw/zinc/66/09/39/1159660939.db2.gz HFIMOXKBGYGNJG-SFHVURJKSA-N 1 3 317.477 2.410 20 0 DEADHO CC[C@@H](C(=O)NCc1cccc2c1CC[N@H+](C(C)C)C2)N(C)C ZINC001376671394 1159660962 /nfs/dbraw/zinc/66/09/62/1159660962.db2.gz HFIMOXKBGYGNJG-SFHVURJKSA-N 1 3 317.477 2.410 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001376981879 1159863412 /nfs/dbraw/zinc/86/34/12/1159863412.db2.gz LRZKLDVRJGGUOQ-CHWSQXEVSA-N 1 3 323.403 2.298 20 0 DEADHO CN(C[C@H]1CCN1CCCC1CCC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001396996038 1159893770 /nfs/dbraw/zinc/89/37/70/1159893770.db2.gz JLDAKFDBWIVFBO-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001397638120 1160377916 /nfs/dbraw/zinc/37/79/16/1160377916.db2.gz XKFXZZRHPMDFRS-JKIFEVAISA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccsc2)C1)N(C)C ZINC001377465154 1160392593 /nfs/dbraw/zinc/39/25/93/1160392593.db2.gz XZRVGWOPCBSIPA-GDBMZVCRSA-N 1 3 323.506 2.272 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccsc2)C1)N(C)C ZINC001377465154 1160392604 /nfs/dbraw/zinc/39/26/04/1160392604.db2.gz XZRVGWOPCBSIPA-GDBMZVCRSA-N 1 3 323.506 2.272 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCC2)[C@@H]1C)N1CCCC1 ZINC001397791528 1160507202 /nfs/dbraw/zinc/50/72/02/1160507202.db2.gz FHVVGKZUPHWSJQ-BPQIPLTHSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCC2)[C@@H]1C)N1CCCC1 ZINC001397791528 1160507224 /nfs/dbraw/zinc/50/72/24/1160507224.db2.gz FHVVGKZUPHWSJQ-BPQIPLTHSA-N 1 3 321.509 2.486 20 0 DEADHO C[C@H](c1cccc(F)c1)N(C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001403736111 1163124400 /nfs/dbraw/zinc/12/44/00/1163124400.db2.gz PGXRFOSUYDYAOA-CABCVRRESA-N 1 3 321.440 2.277 20 0 DEADHO C[C@H](c1cccc(F)c1)N(C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001403736111 1163124411 /nfs/dbraw/zinc/12/44/11/1163124411.db2.gz PGXRFOSUYDYAOA-CABCVRRESA-N 1 3 321.440 2.277 20 0 DEADHO CN(Cc1ccccc1F)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001377772734 1160816144 /nfs/dbraw/zinc/81/61/44/1160816144.db2.gz VIPBAFVOKHUZSG-HNNXBMFYSA-N 1 3 321.440 2.058 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001398220560 1160825092 /nfs/dbraw/zinc/82/50/92/1160825092.db2.gz DMVBBGKPNDNOLG-HOTGVXAUSA-N 1 3 313.461 2.047 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001398220560 1160825093 /nfs/dbraw/zinc/82/50/93/1160825093.db2.gz DMVBBGKPNDNOLG-HOTGVXAUSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](C)C[NH+]1CC(CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001377968104 1160886364 /nfs/dbraw/zinc/88/63/64/1160886364.db2.gz FMCANILZNBHONW-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO CN(CC(=O)N1CCC[C@@H](C[N@H+](C)CCCF)C1)C1CCC1 ZINC001398462263 1160897658 /nfs/dbraw/zinc/89/76/58/1160897658.db2.gz XPXRACPOXNLNCD-HNNXBMFYSA-N 1 3 313.461 2.001 20 0 DEADHO CN(CC(=O)N1CCC[C@@H](C[N@@H+](C)CCCF)C1)C1CCC1 ZINC001398462263 1160897659 /nfs/dbraw/zinc/89/76/59/1160897659.db2.gz XPXRACPOXNLNCD-HNNXBMFYSA-N 1 3 313.461 2.001 20 0 DEADHO CN(CCNC(=O)CCC[NH+]1CCCC1)CC1=CCCCC1 ZINC001492873791 1160968866 /nfs/dbraw/zinc/96/88/66/1160968866.db2.gz UOHMVVQBDGLGRJ-UHFFFAOYSA-N 1 3 307.482 2.411 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]C/C=C/c1ccccc1 ZINC001399023555 1161193512 /nfs/dbraw/zinc/19/35/12/1161193512.db2.gz LNVWPBSFNQKCRY-BRBWODKKSA-N 1 3 315.461 2.136 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001399032582 1161197643 /nfs/dbraw/zinc/19/76/43/1161197643.db2.gz JGCLJNUSVMWHDA-RHSMWYFYSA-N 1 3 323.456 2.337 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]C/C=C\c1ccccc1)N(C)C ZINC001399110562 1161239877 /nfs/dbraw/zinc/23/98/77/1161239877.db2.gz RJMBTVVPSAZTJE-WBENJFFKSA-N 1 3 317.477 2.380 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001399170477 1161266944 /nfs/dbraw/zinc/26/69/44/1161266944.db2.gz SKQMPLQBAGZMMW-YCABEKBOSA-N 1 3 303.450 2.134 20 0 DEADHO CC[C@H](F)C[NH2+][C@@H](C)CCNC(=O)C(C)(C)N1CCCCC1 ZINC001399324204 1161347146 /nfs/dbraw/zinc/34/71/46/1161347146.db2.gz XQMBWVYVCYFOEY-GJZGRUSLSA-N 1 3 315.477 2.483 20 0 DEADHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CC1CCCCC1 ZINC001399392797 1161376283 /nfs/dbraw/zinc/37/62/83/1161376283.db2.gz LMBKQIJITRGUBB-HOTGVXAUSA-N 1 3 309.498 2.393 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](C)Cc1c(C)cccc1C)N(C)C ZINC001399503145 1161429441 /nfs/dbraw/zinc/42/94/41/1161429441.db2.gz RJXBOOBWODVZQF-QGZVFWFLSA-N 1 3 305.466 2.192 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](C)Cc1c(C)cccc1C)N(C)C ZINC001399503145 1161429444 /nfs/dbraw/zinc/42/94/44/1161429444.db2.gz RJXBOOBWODVZQF-QGZVFWFLSA-N 1 3 305.466 2.192 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](CC)CC1CC2(CCC2)C1)N(C)C ZINC001399758275 1161553909 /nfs/dbraw/zinc/55/39/09/1161553909.db2.gz DLCBPSLVEXNBFN-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](CC)CC1CC2(CCC2)C1)N(C)C ZINC001399758275 1161553913 /nfs/dbraw/zinc/55/39/13/1161553913.db2.gz DLCBPSLVEXNBFN-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCC1)N(C)C ZINC001399906232 1161604625 /nfs/dbraw/zinc/60/46/25/1161604625.db2.gz QJUZUTWDYBVVRT-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CCCC1)N(C)C ZINC001399906232 1161604628 /nfs/dbraw/zinc/60/46/28/1161604628.db2.gz QJUZUTWDYBVVRT-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001400252056 1161699347 /nfs/dbraw/zinc/69/93/47/1161699347.db2.gz UJFRADSRCJFQPC-QGZVFWFLSA-N 1 3 311.514 2.399 20 0 DEADHO CC(C)C[N@@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001400252056 1161699349 /nfs/dbraw/zinc/69/93/49/1161699349.db2.gz UJFRADSRCJFQPC-QGZVFWFLSA-N 1 3 311.514 2.399 20 0 DEADHO CC[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CC[C@@H](C)F ZINC001400809420 1161825890 /nfs/dbraw/zinc/82/58/90/1161825890.db2.gz UPKBJJYNTYEWFM-HUUCEWRRSA-N 1 3 315.477 2.483 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCC2CC2)C1 ZINC001401300773 1161920504 /nfs/dbraw/zinc/92/05/04/1161920504.db2.gz YWEDTFZLOUPCQM-DOTOQJQBSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]([NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1)c1ccccc1F ZINC001401684717 1162075568 /nfs/dbraw/zinc/07/55/68/1162075568.db2.gz GJLYOMLRYPFZAM-UONOGXRCSA-N 1 3 321.440 2.465 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)C/C=C/c1ccccc1)N(C)C ZINC001401751899 1162109088 /nfs/dbraw/zinc/10/90/88/1162109088.db2.gz HPIQVEOEHOENRP-PZQFMBMYSA-N 1 3 317.477 2.477 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)C/C=C/c1ccccc1)N(C)C ZINC001401751899 1162109090 /nfs/dbraw/zinc/10/90/90/1162109090.db2.gz HPIQVEOEHOENRP-PZQFMBMYSA-N 1 3 317.477 2.477 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@]1(C)CCC[N@H+](CC2CC2)C1 ZINC001402201892 1162285567 /nfs/dbraw/zinc/28/55/67/1162285567.db2.gz FSRCVEYNQBGUHG-MJGOQNOKSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@]1(C)CCC[N@@H+](CC2CC2)C1 ZINC001402201892 1162285572 /nfs/dbraw/zinc/28/55/72/1162285572.db2.gz FSRCVEYNQBGUHG-MJGOQNOKSA-N 1 3 321.509 2.489 20 0 DEADHO CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001402206253 1162287172 /nfs/dbraw/zinc/28/71/72/1162287172.db2.gz FXRNFOHUYHHMGO-SJLPKXTDSA-N 1 3 309.498 2.489 20 0 DEADHO CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001402206253 1162287177 /nfs/dbraw/zinc/28/71/77/1162287177.db2.gz FXRNFOHUYHHMGO-SJLPKXTDSA-N 1 3 309.498 2.489 20 0 DEADHO CC[N@H+](CCNC(=O)[C@H]1CCCN1C)Cc1ccc(F)cc1C ZINC001403899281 1163278939 /nfs/dbraw/zinc/27/89/39/1163278939.db2.gz QILXQZGTMGMUBA-QGZVFWFLSA-N 1 3 321.440 2.166 20 0 DEADHO CC[N@@H+](CCNC(=O)[C@H]1CCCN1C)Cc1ccc(F)cc1C ZINC001403899281 1163278947 /nfs/dbraw/zinc/27/89/47/1163278947.db2.gz QILXQZGTMGMUBA-QGZVFWFLSA-N 1 3 321.440 2.166 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C1CC[NH+](C[C@@H](F)CC)CC1 ZINC001404000399 1163364307 /nfs/dbraw/zinc/36/43/07/1163364307.db2.gz BHKOCQXXXOELTH-HOCLYGCPSA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@H]1CCc2ccc(F)cc21)N(C)C ZINC001404309229 1163574430 /nfs/dbraw/zinc/57/44/30/1163574430.db2.gz CZFJCGNPAMIMFA-IRXDYDNUSA-N 1 3 321.440 2.201 20 0 DEADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccccc1F ZINC001405376869 1164068480 /nfs/dbraw/zinc/06/84/80/1164068480.db2.gz UTHYKQYKRZUIFH-HNNXBMFYSA-N 1 3 309.429 2.150 20 0 DEADHO CC[C@H](C(=O)N[C@](C)(C[NH2+]Cc1ccccc1)C1CC1)N(C)C ZINC001405431722 1164089140 /nfs/dbraw/zinc/08/91/40/1164089140.db2.gz HVGHTJQYFJLFME-IEBWSBKVSA-N 1 3 317.477 2.401 20 0 DEADHO CN(C)C1(C(=O)NCCC2CC[NH+](CCC3CC3)CC2)CCC1 ZINC001405561621 1164150194 /nfs/dbraw/zinc/15/01/94/1164150194.db2.gz QONOTIJAGLWQAE-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001405986281 1164371820 /nfs/dbraw/zinc/37/18/20/1164371820.db2.gz HNPRKLSYSOCCJU-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC2CCCC2)[C@@H](C)C1 ZINC001405985293 1164372175 /nfs/dbraw/zinc/37/21/75/1164372175.db2.gz XCGGGEINOJAWCF-RDJZCZTQSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001406526233 1164656323 /nfs/dbraw/zinc/65/63/23/1164656323.db2.gz CMHVDBADQQHVBD-BBRMVZONSA-N 1 3 309.429 2.091 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1 ZINC001406564717 1164679342 /nfs/dbraw/zinc/67/93/42/1164679342.db2.gz UDCOTEXDQWTNTD-RDJZCZTQSA-N 1 3 303.450 2.155 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1CCC1)C1CC1 ZINC001406757825 1164819925 /nfs/dbraw/zinc/81/99/25/1164819925.db2.gz JIIMBQGHAXRNFG-IAGOWNOFSA-N 1 3 307.482 2.144 20 0 DEADHO CC[C@H](C(=O)N1CCC(C)([NH2+]C[C@@H](F)CC)CC1)N(C)C ZINC001408099021 1165476206 /nfs/dbraw/zinc/47/62/06/1165476206.db2.gz SPNNSYOELBZXGZ-UONOGXRCSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)[NH2+][C@@H](C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001408213269 1165535170 /nfs/dbraw/zinc/53/51/70/1165535170.db2.gz WSFVZWMOVZWQPK-XJKSGUPXSA-N 1 3 301.450 2.092 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+][C@@H]2CCCn3nccc32)CC1 ZINC001414186980 1165734831 /nfs/dbraw/zinc/73/48/31/1165734831.db2.gz ZWXZKGDQKPSPBW-UPTPFMHGSA-N 1 3 318.465 2.341 20 0 DEADHO Cc1ccc(CCN2CC[C@@H]2CN(C)C(=O)CC[NH+](C)C)cc1 ZINC001417755829 1167190259 /nfs/dbraw/zinc/19/02/59/1167190259.db2.gz POMFBLHFVAMVSR-GOSISDBHSA-N 1 3 317.477 2.022 20 0 DEADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H](NCc2sccc2Cl)C1 ZINC001418063913 1167390144 /nfs/dbraw/zinc/39/01/44/1167390144.db2.gz HWACWFANQYPZID-XYPYZODXSA-N 1 3 315.870 2.090 20 0 DEADHO CCc1cccc(C[NH2+][C@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001418232938 1167507947 /nfs/dbraw/zinc/50/79/47/1167507947.db2.gz HZCHWOBBHFPREJ-OAHLLOKOSA-N 1 3 317.477 2.328 20 0 DEADHO Cc1cccc(C[NH2+][C@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001418234680 1167509463 /nfs/dbraw/zinc/50/94/63/1167509463.db2.gz MAHPVJJPUORKRH-OAHLLOKOSA-N 1 3 303.450 2.074 20 0 DEADHO C[C@H](CCNC(=O)C(C)(C)N1CCCCC1)[NH2+]CC[C@H](C)F ZINC001418397743 1167626959 /nfs/dbraw/zinc/62/69/59/1167626959.db2.gz UQVZSGLQLUMUMJ-LSDHHAIUSA-N 1 3 315.477 2.483 20 0 DEADHO Cc1cccc(C)c1C[N@@H+](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001418492990 1167711884 /nfs/dbraw/zinc/71/18/84/1167711884.db2.gz DOQZKTXIEKLFBD-OAHLLOKOSA-N 1 3 317.477 2.193 20 0 DEADHO Cc1cccc(C)c1C[N@H+](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001418492990 1167711903 /nfs/dbraw/zinc/71/19/03/1167711903.db2.gz DOQZKTXIEKLFBD-OAHLLOKOSA-N 1 3 317.477 2.193 20 0 DEADHO CC1CC(C[N@@H+]2CC[C@H](CNC(=O)C(C)(C)N3CCCC3)C2)C1 ZINC001418679838 1167882179 /nfs/dbraw/zinc/88/21/79/1167882179.db2.gz IXOIZDUJFOQOLZ-AQFXKWCLSA-N 1 3 321.509 2.345 20 0 DEADHO CC1CC(C[N@H+]2CC[C@H](CNC(=O)C(C)(C)N3CCCC3)C2)C1 ZINC001418679838 1167882184 /nfs/dbraw/zinc/88/21/84/1167882184.db2.gz IXOIZDUJFOQOLZ-AQFXKWCLSA-N 1 3 321.509 2.345 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001418691705 1167890215 /nfs/dbraw/zinc/89/02/15/1167890215.db2.gz QJZHCSJJGFVVCH-CQSZACIVSA-N 1 3 306.454 2.135 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001418691705 1167890218 /nfs/dbraw/zinc/89/02/18/1167890218.db2.gz QJZHCSJJGFVVCH-CQSZACIVSA-N 1 3 306.454 2.135 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001418708442 1167902102 /nfs/dbraw/zinc/90/21/02/1167902102.db2.gz MCXOJWKPOCQCDU-HAQNSBGRSA-N 1 3 322.280 2.132 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001418708442 1167902108 /nfs/dbraw/zinc/90/21/08/1167902108.db2.gz MCXOJWKPOCQCDU-HAQNSBGRSA-N 1 3 322.280 2.132 20 0 DEADHO CCCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccc(F)cc1 ZINC001418727974 1167919839 /nfs/dbraw/zinc/91/98/39/1167919839.db2.gz CEQLRLKCKOBDQR-INIZCTEOSA-N 1 3 321.440 2.106 20 0 DEADHO CCCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccc(F)cc1 ZINC001418727974 1167919843 /nfs/dbraw/zinc/91/98/43/1167919843.db2.gz CEQLRLKCKOBDQR-INIZCTEOSA-N 1 3 321.440 2.106 20 0 DEADHO CCCN(C)CC(=O)NCC1C[NH+](Cc2c(C)cccc2C)C1 ZINC001419044171 1168155192 /nfs/dbraw/zinc/15/51/92/1168155192.db2.gz WFXOPJQNLCOPFK-UHFFFAOYSA-N 1 3 317.477 2.193 20 0 DEADHO CC(C)CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001419049923 1168159620 /nfs/dbraw/zinc/15/96/20/1168159620.db2.gz VRVUGFNQPKNHPH-LTIDMASMSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001419049923 1168159624 /nfs/dbraw/zinc/15/96/24/1168159624.db2.gz VRVUGFNQPKNHPH-LTIDMASMSA-N 1 3 307.482 2.048 20 0 DEADHO Cc1cccc(C)c1C[NH2+]C[C@@H](C)CNC(=O)CN(C)C(C)C ZINC001419531863 1168578002 /nfs/dbraw/zinc/57/80/02/1168578002.db2.gz BURAKOLIVVLSQN-OAHLLOKOSA-N 1 3 319.493 2.486 20 0 DEADHO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(CC[NH+](C)C)c1 ZINC001419597276 1168648450 /nfs/dbraw/zinc/64/84/50/1168648450.db2.gz KQQHFOIICFHWFS-ZWKOTPCHSA-N 1 3 315.461 2.099 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001419756696 1168834221 /nfs/dbraw/zinc/83/42/21/1168834221.db2.gz NBOFZPXPBIFKSE-PBHICJAKSA-N 1 3 321.440 2.294 20 0 DEADHO CN(Cc1ccsc1)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001420044466 1169101104 /nfs/dbraw/zinc/10/11/04/1169101104.db2.gz FEHWQXBSNZUJTQ-OAHLLOKOSA-N 1 3 309.479 2.123 20 0 DEADHO CCc1ccc(CN(C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001420218615 1169254581 /nfs/dbraw/zinc/25/45/81/1169254581.db2.gz LAISLJOHSJWFQP-CRAIPNDOSA-N 1 3 317.477 2.137 20 0 DEADHO CCc1ccc(CN(C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001420218615 1169254603 /nfs/dbraw/zinc/25/46/03/1169254603.db2.gz LAISLJOHSJWFQP-CRAIPNDOSA-N 1 3 317.477 2.137 20 0 DEADHO C[C@@H](CNCc1ccccc1Cl)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001420421762 1169523143 /nfs/dbraw/zinc/52/31/43/1169523143.db2.gz NHFOYDMXPLPESH-GZBFAFLISA-N 1 3 323.868 2.275 20 0 DEADHO C[C@@H](CNCc1ccccc1Cl)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001420421762 1169523162 /nfs/dbraw/zinc/52/31/62/1169523162.db2.gz NHFOYDMXPLPESH-GZBFAFLISA-N 1 3 323.868 2.275 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]C[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001420468922 1169611120 /nfs/dbraw/zinc/61/11/20/1169611120.db2.gz LLJSWQXWVJZBPZ-ZFWWWQNUSA-N 1 3 321.440 2.070 20 0 DEADHO CCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001420501536 1169668766 /nfs/dbraw/zinc/66/87/66/1169668766.db2.gz BYXAPVPNXAVIFF-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001420501536 1169668790 /nfs/dbraw/zinc/66/87/90/1169668790.db2.gz BYXAPVPNXAVIFF-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC001420550921 1169777420 /nfs/dbraw/zinc/77/74/20/1169777420.db2.gz AGBRHTHMTJVKRT-MRXNPFEDSA-N 1 3 321.440 2.106 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC001420550921 1169777434 /nfs/dbraw/zinc/77/74/34/1169777434.db2.gz AGBRHTHMTJVKRT-MRXNPFEDSA-N 1 3 321.440 2.106 20 0 DEADHO Cc1cc(F)ccc1CN(C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001420615536 1169830549 /nfs/dbraw/zinc/83/05/49/1169830549.db2.gz RXQUURFGDIIARP-OAHLLOKOSA-N 1 3 323.456 2.412 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[N@H+](Cc2ccccc2)C2CC2)C1 ZINC001420683080 1169866565 /nfs/dbraw/zinc/86/65/65/1169866565.db2.gz OXJRQKTZXUAZDG-INIZCTEOSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[N@@H+](Cc2ccccc2)C2CC2)C1 ZINC001420683080 1169866566 /nfs/dbraw/zinc/86/65/66/1169866566.db2.gz OXJRQKTZXUAZDG-INIZCTEOSA-N 1 3 315.461 2.109 20 0 DEADHO CC[C@@H](F)CNC1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001421002957 1171421330 /nfs/dbraw/zinc/42/13/30/1171421330.db2.gz ADFLGTPHWUNXFS-HUUCEWRRSA-N 1 3 313.461 2.093 20 0 DEADHO C[N@H+](CCC(=O)N1C[C@@H]2C[C@H]1CN2CC1CC1)C1CCCCC1 ZINC001421202924 1171586587 /nfs/dbraw/zinc/58/65/87/1171586587.db2.gz JGOYUCDJQSOGKH-ROUUACIJSA-N 1 3 319.493 2.336 20 0 DEADHO C[N@@H+](CCC(=O)N1C[C@@H]2C[C@H]1CN2CC1CC1)C1CCCCC1 ZINC001421202924 1171586593 /nfs/dbraw/zinc/58/65/93/1171586593.db2.gz JGOYUCDJQSOGKH-ROUUACIJSA-N 1 3 319.493 2.336 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1(NC/C=C\Cl)CCC1 ZINC001421757294 1171966020 /nfs/dbraw/zinc/96/60/20/1171966020.db2.gz UPUCWSXEQSNDED-PXTDYPQFSA-N 1 3 313.873 2.242 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCC1(NC/C=C\Cl)CCC1 ZINC001421757294 1171966029 /nfs/dbraw/zinc/96/60/29/1171966029.db2.gz UPUCWSXEQSNDED-PXTDYPQFSA-N 1 3 313.873 2.242 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+]CC1CC2(CCC2)C1 ZINC001421770171 1171982048 /nfs/dbraw/zinc/98/20/48/1171982048.db2.gz RLMVIGOVYDIQOW-OAHLLOKOSA-N 1 3 309.498 2.249 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC(CC[N@H+](C)CC3CC3)CC2)C1 ZINC001422042655 1172251270 /nfs/dbraw/zinc/25/12/70/1172251270.db2.gz QXMQCOVQTCFTJJ-MRXNPFEDSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC(CC[N@@H+](C)CC3CC3)CC2)C1 ZINC001422042655 1172251284 /nfs/dbraw/zinc/25/12/84/1172251284.db2.gz QXMQCOVQTCFTJJ-MRXNPFEDSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@H](CN1CCOCC1)N1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001422162670 1172362115 /nfs/dbraw/zinc/36/21/15/1172362115.db2.gz ZLPXZZYJAXCWHA-RTBURBONSA-N 1 3 323.525 2.294 20 0 DEADHO Cc1cccc(C)c1C[N@@H+](C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001422184524 1172379903 /nfs/dbraw/zinc/37/99/03/1172379903.db2.gz ZMECGEOAWSSWOI-GOSISDBHSA-N 1 3 317.477 2.288 20 0 DEADHO Cc1cccc(C)c1C[N@H+](C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001422184524 1172379913 /nfs/dbraw/zinc/37/99/13/1172379913.db2.gz ZMECGEOAWSSWOI-GOSISDBHSA-N 1 3 317.477 2.288 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCCC[C@H]2[C@H]2CCCO2)CC1 ZINC001422442829 1172594798 /nfs/dbraw/zinc/59/47/98/1172594798.db2.gz GJNBXJRENVFNGF-RBUKOAKNSA-N 1 3 323.525 2.436 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCCC[C@H]2[C@H]2CCCO2)CC1 ZINC001422442829 1172594805 /nfs/dbraw/zinc/59/48/05/1172594805.db2.gz GJNBXJRENVFNGF-RBUKOAKNSA-N 1 3 323.525 2.436 20 0 DEADHO C[C@H](CNCc1ccccc1Cl)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001422488319 1172641365 /nfs/dbraw/zinc/64/13/65/1172641365.db2.gz NHFOYDMXPLPESH-UMVBOHGHSA-N 1 3 323.868 2.275 20 0 DEADHO C[C@H](CNCc1ccccc1Cl)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001422488319 1172641371 /nfs/dbraw/zinc/64/13/71/1172641371.db2.gz NHFOYDMXPLPESH-UMVBOHGHSA-N 1 3 323.868 2.275 20 0 DEADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccc(F)c(OC)c2)CC1 ZINC001422621198 1172771088 /nfs/dbraw/zinc/77/10/88/1172771088.db2.gz ZTMTXQORGRDSRX-HNNXBMFYSA-N 1 3 323.456 2.198 20 0 DEADHO CC[C@H](F)CN1CCCCC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001422714243 1172826429 /nfs/dbraw/zinc/82/64/29/1172826429.db2.gz FTGWTNDNJSGPRO-HOTGVXAUSA-N 1 3 315.477 2.437 20 0 DEADHO CC[C@H](F)CN1CCCCC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001422714243 1172826431 /nfs/dbraw/zinc/82/64/31/1172826431.db2.gz FTGWTNDNJSGPRO-HOTGVXAUSA-N 1 3 315.477 2.437 20 0 DEADHO C[C@@H](CNCc1ccccc1F)NC(=O)CC1CC[NH+](C)CC1 ZINC001422720659 1172829605 /nfs/dbraw/zinc/82/96/05/1172829605.db2.gz SGSXAYRVNAQRNK-AWEZNQCLSA-N 1 3 321.440 2.152 20 0 DEADHO COc1ccc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)cc1 ZINC001422739094 1172837114 /nfs/dbraw/zinc/83/71/14/1172837114.db2.gz WALIXTUPCOAPBL-ZWKOTPCHSA-N 1 3 304.434 2.163 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)C1C[NH+](CCC(C)(C)C)C1)N(C)C ZINC001422753759 1172843744 /nfs/dbraw/zinc/84/37/44/1172843744.db2.gz QJNWEYLRHHJWAB-GOEBONIOSA-N 1 3 311.514 2.445 20 0 DEADHO CCc1ccc(C[NH2+]C[C@H](C)NC(=O)CN(C)C(C)C)cc1 ZINC001422761295 1172845995 /nfs/dbraw/zinc/84/59/95/1172845995.db2.gz PYZTYLBVFXLYHB-HNNXBMFYSA-N 1 3 305.466 2.184 20 0 DEADHO C[C@@H](C[N@H+](C)CC1CCCCC1)NC(=O)C1(N(C)C)CCC1 ZINC001422828786 1172878787 /nfs/dbraw/zinc/87/87/87/1172878787.db2.gz UUZJBIYSTWQRBB-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](C[N@@H+](C)CC1CCCCC1)NC(=O)C1(N(C)C)CCC1 ZINC001422828786 1172878788 /nfs/dbraw/zinc/87/87/88/1172878788.db2.gz UUZJBIYSTWQRBB-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](C[N@H+](C)CC1CC(C)(C)C1)NC(=O)CN1CC[C@@H](C)C1 ZINC001422876595 1172892512 /nfs/dbraw/zinc/89/25/12/1172892512.db2.gz LWXGUIXGFVKFHH-CABCVRRESA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H](C[N@@H+](C)CC1CC(C)(C)C1)NC(=O)CN1CC[C@@H](C)C1 ZINC001422876595 1172892513 /nfs/dbraw/zinc/89/25/13/1172892513.db2.gz LWXGUIXGFVKFHH-CABCVRRESA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C[NH2+]CC1CCCCC1)C1CC1)N(C)C ZINC001423027025 1173025048 /nfs/dbraw/zinc/02/50/48/1173025048.db2.gz ZKIKRRCQZXZWRI-SJORKVTESA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@H](F)CN[C@@H](C)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001423174080 1173142596 /nfs/dbraw/zinc/14/25/96/1173142596.db2.gz SCRFEJFMDZMSDL-GJZGRUSLSA-N 1 3 301.450 2.047 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001423329772 1173247552 /nfs/dbraw/zinc/24/75/52/1173247552.db2.gz PBARNGLZEZJECI-SJLPKXTDSA-N 1 3 317.477 2.414 20 0 DEADHO C[NH+](C)CCC(=O)N[C@@]12CCC[C@@H]1N(CCC(F)(F)F)CC2 ZINC001423353995 1173292455 /nfs/dbraw/zinc/29/24/55/1173292455.db2.gz QBOYRZQYJJPYAJ-GXTWGEPZSA-N 1 3 321.387 2.004 20 0 DEADHO CC(C)C[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC1(C)C ZINC001423397550 1173329927 /nfs/dbraw/zinc/32/99/27/1173329927.db2.gz FRRTUVBGWXKHOD-OAHLLOKOSA-N 1 3 311.514 2.447 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+]Cc2ccccc2)C1 ZINC001423642856 1173463227 /nfs/dbraw/zinc/46/32/27/1173463227.db2.gz IKDVHZRZILZHDN-LJQANCHMSA-N 1 3 317.477 2.357 20 0 DEADHO Cc1cc(C[N@@H+](C)CCCN(C)C(=O)CN2CCCC2)cs1 ZINC001424333459 1173764275 /nfs/dbraw/zinc/76/42/75/1173764275.db2.gz WAPLAMSSIQHVHT-UHFFFAOYSA-N 1 3 323.506 2.433 20 0 DEADHO C[C@@H](NC(=O)C(C)(C)N1CCCCC1)C1C[NH+](CC2CCC2)C1 ZINC001425226022 1174246908 /nfs/dbraw/zinc/24/69/08/1174246908.db2.gz VAAPMXLFFDCDRZ-OAHLLOKOSA-N 1 3 321.509 2.488 20 0 DEADHO CCCC[NH+]1CCC([C@@H](C)NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001426186129 1174636629 /nfs/dbraw/zinc/63/66/29/1174636629.db2.gz SHZXNXHSDOGSKA-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]C/C=C\Cl)C1 ZINC001426244518 1174667186 /nfs/dbraw/zinc/66/71/86/1174667186.db2.gz IVGKCXSQFYSZDB-ZZCSVNTMSA-N 1 3 313.873 2.192 20 0 DEADHO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)CN1[C@H](C)CC[C@@H]1C ZINC001434223193 1178336226 /nfs/dbraw/zinc/33/62/26/1178336226.db2.gz UTGHNMIJFQQHCO-NCOADZHNSA-N 1 3 309.498 2.438 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CC2)C1 ZINC001436370171 1179065615 /nfs/dbraw/zinc/06/56/15/1179065615.db2.gz VWBFTJXDDRIZBA-SRABZTEZSA-N 1 3 307.482 2.144 20 0 DEADHO CC(C)C[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001436957673 1179317807 /nfs/dbraw/zinc/31/78/07/1179317807.db2.gz ZVGHRJTWZQGVKI-HRCADAONSA-N 1 3 309.498 2.390 20 0 DEADHO CCc1ccc(C[NH2+][C@H](C)CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001437144224 1179482289 /nfs/dbraw/zinc/48/22/89/1179482289.db2.gz JCOZZXXOCNTYSS-OAHLLOKOSA-N 1 3 317.477 2.328 20 0 DEADHO CC[C@@H](C)C[N@H+](C)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001437328578 1179724522 /nfs/dbraw/zinc/72/45/22/1179724522.db2.gz BQEZVUQZQMNWGR-CVEARBPZSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C)C[N@@H+](C)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001437328578 1179724543 /nfs/dbraw/zinc/72/45/43/1179724543.db2.gz BQEZVUQZQMNWGR-CVEARBPZSA-N 1 3 309.498 2.440 20 0 DEADHO Cc1ccc(CN2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)cc1F ZINC001437718004 1179899728 /nfs/dbraw/zinc/89/97/28/1179899728.db2.gz CYTPSWLIILIKCY-INIZCTEOSA-N 1 3 321.440 2.024 20 0 DEADHO CC(C)[NH2+][C@H](CNC(=O)CN(C)C1CCC1)c1ccccc1 ZINC001437874028 1180040684 /nfs/dbraw/zinc/04/06/84/1180040684.db2.gz WMNAROZXPLRAPX-QGZVFWFLSA-N 1 3 303.450 2.326 20 0 DEADHO O=C(CCC[NH+]1CCCCC1)NCC[C@H]1CCN(CCF)C1 ZINC001437961733 1180110478 /nfs/dbraw/zinc/11/04/78/1180110478.db2.gz UIDCSAJNJDTSAB-INIZCTEOSA-N 1 3 313.461 2.050 20 0 DEADHO CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001437991023 1180141888 /nfs/dbraw/zinc/14/18/88/1180141888.db2.gz ORQPIQDSRUHPFU-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001437991023 1180141898 /nfs/dbraw/zinc/14/18/98/1180141898.db2.gz ORQPIQDSRUHPFU-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CN(CC(=O)NCC1C[NH+](CC2CCCCC2)C1)C1CCC1 ZINC001438129776 1180208212 /nfs/dbraw/zinc/20/82/12/1180208212.db2.gz PSFAEJWEWHWSHK-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO C[N@H+](CCCF)CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001438774284 1180810004 /nfs/dbraw/zinc/81/00/04/1180810004.db2.gz POSTZBVUCCKEBK-UHFFFAOYSA-N 1 3 313.461 2.002 20 0 DEADHO C[N@@H+](CCCF)CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001438774284 1180810008 /nfs/dbraw/zinc/81/00/08/1180810008.db2.gz POSTZBVUCCKEBK-UHFFFAOYSA-N 1 3 313.461 2.002 20 0 DEADHO CC(C)[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CC1CCC1 ZINC001438824464 1180823252 /nfs/dbraw/zinc/82/32/52/1180823252.db2.gz BSMCSKCIRSYOJZ-INIZCTEOSA-N 1 3 311.514 2.495 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCC1 ZINC001439535014 1181129823 /nfs/dbraw/zinc/12/98/23/1181129823.db2.gz HSYXIXKQMXOLFD-JKSUJKDBSA-N 1 3 313.461 2.047 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1CC[N@H+]1CC1CCCC1 ZINC001439535014 1181129826 /nfs/dbraw/zinc/12/98/26/1181129826.db2.gz HSYXIXKQMXOLFD-JKSUJKDBSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CCN1CCC1CC1)[NH+]1CCCCC1 ZINC001439572007 1181151177 /nfs/dbraw/zinc/15/11/77/1181151177.db2.gz MSCVPNLXAYJOFJ-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO C[NH+](C)CCC(=O)NCC1(N[C@@H]2CCc3ccc(F)cc32)CC1 ZINC001439641019 1181181884 /nfs/dbraw/zinc/18/18/84/1181181884.db2.gz LSCLHAXIYBFPGU-MRXNPFEDSA-N 1 3 319.424 2.003 20 0 DEADHO CN(C[C@H]1CCN1CCc1ccccc1)C(=O)CCC[NH+](C)C ZINC001440250481 1181404502 /nfs/dbraw/zinc/40/45/02/1181404502.db2.gz NTHNYGZUPUPOQT-GOSISDBHSA-N 1 3 317.477 2.104 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC001440850644 1181728359 /nfs/dbraw/zinc/72/83/59/1181728359.db2.gz DXTMCAQBBYKWBL-ZIAGYGMSSA-N 1 3 309.429 2.149 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC001440850639 1181728393 /nfs/dbraw/zinc/72/83/93/1181728393.db2.gz DXTMCAQBBYKWBL-KGLIPLIRSA-N 1 3 309.429 2.149 20 0 DEADHO CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001441321833 1181943637 /nfs/dbraw/zinc/94/36/37/1181943637.db2.gz PYRCPMSJKJPYHH-KSZLIROESA-N 1 3 315.461 2.375 20 0 DEADHO CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001441321833 1181943640 /nfs/dbraw/zinc/94/36/40/1181943640.db2.gz PYRCPMSJKJPYHH-KSZLIROESA-N 1 3 315.461 2.375 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccsc2)[C@@H]1C ZINC001441825157 1182178515 /nfs/dbraw/zinc/17/85/15/1182178515.db2.gz NKQLENJPARXSRN-DZGCQCFKSA-N 1 3 309.479 2.169 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C/C=C/c1ccccc1 ZINC001441843049 1182210007 /nfs/dbraw/zinc/21/00/07/1182210007.db2.gz PEHBIKLYDIZLPV-BPLPYTOXSA-N 1 3 315.461 2.278 20 0 DEADHO Cc1cc(C[NH2+][C@@H](C)CNC(=O)C2(N(C)C)CCC2)c(C)s1 ZINC001441844180 1182211155 /nfs/dbraw/zinc/21/11/55/1182211155.db2.gz RNYSSLHOGIHBDE-LBPRGKRZSA-N 1 3 323.506 2.444 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]C/C=C\Cl ZINC001441991236 1182278893 /nfs/dbraw/zinc/27/88/93/1182278893.db2.gz HKUGZNHGRHKSQF-JFDUVMPXSA-N 1 3 301.862 2.096 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](CNC/C(Cl)=C/Cl)C1 ZINC001442142055 1182343949 /nfs/dbraw/zinc/34/39/49/1182343949.db2.gz BAMPOFLNQYDBTI-OEMOTLHWSA-N 1 3 322.280 2.085 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](CNC/C(Cl)=C/Cl)C1 ZINC001442142055 1182343953 /nfs/dbraw/zinc/34/39/53/1182343953.db2.gz BAMPOFLNQYDBTI-OEMOTLHWSA-N 1 3 322.280 2.085 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](C)CCCC1CCC1 ZINC001442622436 1182579380 /nfs/dbraw/zinc/57/93/80/1182579380.db2.gz UIPUQGZQZWEZIC-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](C)CCCC1CCC1 ZINC001442622436 1182579391 /nfs/dbraw/zinc/57/93/91/1182579391.db2.gz UIPUQGZQZWEZIC-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C)c(C)c1)N(C)C ZINC001444321338 1183346896 /nfs/dbraw/zinc/34/68/96/1183346896.db2.gz IJMLEPLNUTZBAV-RDTXWAMCSA-N 1 3 319.493 2.486 20 0 DEADHO C[C@H](C[NH2+]Cc1cccc(Cl)c1)NC(=O)CN1CC[C@H](C)C1 ZINC001445437919 1183872724 /nfs/dbraw/zinc/87/27/24/1183872724.db2.gz YJNVDJZHQSGLDB-UONOGXRCSA-N 1 3 323.868 2.276 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)NC(=O)CN2CC[C@@H](C)C2)cc1F ZINC001445608208 1183932657 /nfs/dbraw/zinc/93/26/57/1183932657.db2.gz XHKSOXXTQABVNS-HIFRSBDPSA-N 1 3 321.440 2.070 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cccc(F)c1 ZINC001445659328 1183958742 /nfs/dbraw/zinc/95/87/42/1183958742.db2.gz UKFBQCRCOSCBEY-WMLDXEAASA-N 1 3 321.440 2.294 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CCN1CC1CCC1)[NH+]1CCCCC1 ZINC001446126416 1184237992 /nfs/dbraw/zinc/23/79/92/1184237992.db2.gz LLKWYJKBPVZURZ-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CN(CC(=O)N1CC[C@]2(CC[N@H+](CC3CC3)C2)C1)CC(C)(C)C ZINC001446358036 1184318951 /nfs/dbraw/zinc/31/89/51/1184318951.db2.gz MWGQDOZSIOYXNJ-IBGZPJMESA-N 1 3 321.509 2.299 20 0 DEADHO CN(CC(=O)N1CC[C@]2(CC[N@@H+](CC3CC3)C2)C1)CC(C)(C)C ZINC001446358036 1184318960 /nfs/dbraw/zinc/31/89/60/1184318960.db2.gz MWGQDOZSIOYXNJ-IBGZPJMESA-N 1 3 321.509 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccccc2)C1 ZINC001446935585 1184582536 /nfs/dbraw/zinc/58/25/36/1184582536.db2.gz BMFALEFONDIXLV-WMZOPIPTSA-N 1 3 317.477 2.355 20 0 DEADHO CC(C)[NH2+]CCN(Cc1ccccc1)C(=O)CN1CC[C@H](C)C1 ZINC001446969626 1184595831 /nfs/dbraw/zinc/59/58/31/1184595831.db2.gz QONLECWZZODYMX-KRWDZBQOSA-N 1 3 317.477 2.355 20 0 DEADHO CC(C)(C)CCC[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001446982171 1184599497 /nfs/dbraw/zinc/59/94/97/1184599497.db2.gz UWVBLOHKBDPWJK-GASCZTMLSA-N 1 3 318.465 2.169 20 0 DEADHO CC(C)(C)CCC[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001446982171 1184599503 /nfs/dbraw/zinc/59/95/03/1184599503.db2.gz UWVBLOHKBDPWJK-GASCZTMLSA-N 1 3 318.465 2.169 20 0 DEADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001447827252 1184885220 /nfs/dbraw/zinc/88/52/20/1184885220.db2.gz YOKCMCYAEMAROS-UHFFFAOYSA-N 1 3 321.509 2.391 20 0 DEADHO COc1cccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001447940369 1184966346 /nfs/dbraw/zinc/96/63/46/1184966346.db2.gz ZJBSNDDVTXPPBR-CABCVRRESA-N 1 3 321.465 2.018 20 0 DEADHO C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)NC/C=C/Cl ZINC001448677454 1185358257 /nfs/dbraw/zinc/35/82/57/1185358257.db2.gz IYKXZFOGLLTDTG-KEGUIYOVSA-N 1 3 301.862 2.050 20 0 DEADHO C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)NC/C=C/Cl ZINC001448677454 1185358264 /nfs/dbraw/zinc/35/82/64/1185358264.db2.gz IYKXZFOGLLTDTG-KEGUIYOVSA-N 1 3 301.862 2.050 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH2+]C(C)C)C1 ZINC001449369792 1185682441 /nfs/dbraw/zinc/68/24/41/1185682441.db2.gz PPDDYCYCSDHDGN-CHWSQXEVSA-N 1 3 323.403 2.106 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](N[C@@H](C)c2ccccc2F)C1 ZINC001370543958 1149807703 /nfs/dbraw/zinc/80/77/03/1149807703.db2.gz PIYBZSGQXFZKAP-KKUMJFAQSA-N 1 3 321.440 2.465 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](N[C@@H](C)c2ccccc2F)C1 ZINC001370543958 1149807704 /nfs/dbraw/zinc/80/77/04/1149807704.db2.gz PIYBZSGQXFZKAP-KKUMJFAQSA-N 1 3 321.440 2.465 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001370547153 1149808509 /nfs/dbraw/zinc/80/85/09/1149808509.db2.gz KMUGZAKUCOXZKU-BZUAXINKSA-N 1 3 309.498 2.246 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C)c(F)c2)C1)N(C)C ZINC001370550467 1149808711 /nfs/dbraw/zinc/80/87/11/1149808711.db2.gz XTAYZZYGHDKDHU-BFYDXBDKSA-N 1 3 321.440 2.211 20 0 DEADHO CC[C@@H](F)CN1CCC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001407030473 1164933511 /nfs/dbraw/zinc/93/35/11/1164933511.db2.gz KNFPQGNAZVXSIY-NVXWUHKLSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001106336142 782659515 /nfs/dbraw/zinc/65/95/15/782659515.db2.gz DUGXTJFFRGTGME-ARFHVFGLSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)(C(=O)NCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)N1CCCCC1 ZINC001127321942 782655469 /nfs/dbraw/zinc/65/54/69/782655469.db2.gz HRXLQEIIEUULPP-IXDOHACOSA-N 1 3 321.509 2.393 20 0 DEADHO CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001106798586 782944315 /nfs/dbraw/zinc/94/43/15/782944315.db2.gz LSHCFYGVZPAURD-QZTJIDSGSA-N 1 3 321.509 2.369 20 0 DEADHO C[N@@H+]1CCC[C@H](CN2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 ZINC001208606022 776597524 /nfs/dbraw/zinc/59/75/24/776597524.db2.gz DFOCFCIUOCHLQU-HRCADAONSA-N 1 3 323.481 2.269 20 0 DEADHO C[N@H+]1CCC[C@H](CN2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 ZINC001208606022 776597531 /nfs/dbraw/zinc/59/75/31/776597531.db2.gz DFOCFCIUOCHLQU-HRCADAONSA-N 1 3 323.481 2.269 20 0 DEADHO CN(C)[C@H](C(=O)NCC1CC([NH2+]CC2CCCC2)C1)C1CC1 ZINC001100406589 776610036 /nfs/dbraw/zinc/61/00/36/776610036.db2.gz CMKSRMJNOWQXFL-PREGVCBESA-N 1 3 307.482 2.001 20 0 DEADHO CC[C@@H](C(=O)NCCC1(C[NH2+]CC2CC(C)C2)CC1)N(C)C ZINC001167260812 776809725 /nfs/dbraw/zinc/80/97/25/776809725.db2.gz KZBSVVMYPGOKHW-GPANFISMSA-N 1 3 309.498 2.249 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC1CC([NH2+]CCCCCF)C1 ZINC001100459947 776899974 /nfs/dbraw/zinc/89/99/74/776899974.db2.gz HDVSBHRNPDSNHA-UHFFFAOYSA-N 1 3 315.477 2.341 20 0 DEADHO CC(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001104292175 776950706 /nfs/dbraw/zinc/95/07/06/776950706.db2.gz NDAWIVCTXADBPA-DJIMGWMZSA-N 1 3 309.498 2.057 20 0 DEADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C[NH2+]CC2CC2)C1 ZINC001087175476 777208258 /nfs/dbraw/zinc/20/82/58/777208258.db2.gz PNVPTDFXLGPEPE-PBHICJAKSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+]CCCCCF ZINC001167628192 777405598 /nfs/dbraw/zinc/40/55/98/777405598.db2.gz XAHZEUVMZBUSPS-INIZCTEOSA-N 1 3 315.477 2.485 20 0 DEADHO CN(C)CCN(C(=O)[C@H]1CC12CCCCC2)[C@H]1CCC[NH2+]C1 ZINC001161444842 778092160 /nfs/dbraw/zinc/09/21/60/778092160.db2.gz KWOXUJDMXFIYGM-JKSUJKDBSA-N 1 3 307.482 2.099 20 0 DEADHO CC[N@H+](C)CCC(=O)NCC1CC(NCc2ccccc2F)C1 ZINC001100829635 778463462 /nfs/dbraw/zinc/46/34/62/778463462.db2.gz DLWQBKYMKXJTBQ-UHFFFAOYSA-N 1 3 321.440 2.152 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCC1CC(NCc2ccccc2F)C1 ZINC001100829635 778463466 /nfs/dbraw/zinc/46/34/66/778463466.db2.gz DLWQBKYMKXJTBQ-UHFFFAOYSA-N 1 3 321.440 2.152 20 0 DEADHO CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC[C@H]1C)C2 ZINC001112529731 778606823 /nfs/dbraw/zinc/60/68/23/778606823.db2.gz MFWVILCWKDMQIV-AOIWGVFYSA-N 1 3 321.509 2.489 20 0 DEADHO CC[NH+](CC)CCC[C@@H](C)N1CCN(c2cncnc2)CC1 ZINC001167841424 778702541 /nfs/dbraw/zinc/70/25/41/778702541.db2.gz MVLVGYZKOOWSRC-MRXNPFEDSA-N 1 3 305.470 2.109 20 0 DEADHO CN1CCC[C@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@H]21 ZINC001168004768 779263830 /nfs/dbraw/zinc/26/38/30/779263830.db2.gz YPLOYFUDVKVQRL-QRXAFDDPSA-N 1 3 303.494 2.418 20 0 DEADHO CN1CCC[C@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@H]21 ZINC001168004768 779263835 /nfs/dbraw/zinc/26/38/35/779263835.db2.gz YPLOYFUDVKVQRL-QRXAFDDPSA-N 1 3 303.494 2.418 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2CC(C)C)CC[N@@H+]1CC1CC1 ZINC001087636494 779388749 /nfs/dbraw/zinc/38/87/49/779388749.db2.gz UCQXGKZRAANZBC-RCCFBDPRSA-N 1 3 321.509 2.486 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2CC(C)C)CC[N@H+]1CC1CC1 ZINC001087636494 779388757 /nfs/dbraw/zinc/38/87/57/779388757.db2.gz UCQXGKZRAANZBC-RCCFBDPRSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]2C1 ZINC001088002602 779626976 /nfs/dbraw/zinc/62/69/76/779626976.db2.gz LWPJFSNEIQKNGW-IKGGRYGDSA-N 1 3 309.498 2.009 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]2C1 ZINC001088002602 779626981 /nfs/dbraw/zinc/62/69/81/779626981.db2.gz LWPJFSNEIQKNGW-IKGGRYGDSA-N 1 3 309.498 2.009 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC([N@H+](C)CC2CCC2)CC1)C1CC1 ZINC000985467648 779848941 /nfs/dbraw/zinc/84/89/41/779848941.db2.gz LYPZRFOPIKZVTF-KRWDZBQOSA-N 1 3 307.482 2.050 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC([N@@H+](C)CC2CCC2)CC1)C1CC1 ZINC000985467648 779848943 /nfs/dbraw/zinc/84/89/43/779848943.db2.gz LYPZRFOPIKZVTF-KRWDZBQOSA-N 1 3 307.482 2.050 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CCC2CC2)C1)C1CC1 ZINC001088326168 779956919 /nfs/dbraw/zinc/95/69/19/779956919.db2.gz IVLKQMIVFWQUQG-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CCC2CC2)C1)C1CC1 ZINC001088326170 779957854 /nfs/dbraw/zinc/95/78/54/779957854.db2.gz IVLKQMIVFWQUQG-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO COc1ccc(OC)c(C(=O)CNC2CCC([NH+](C)C)CC2)c1 ZINC001168290198 780806515 /nfs/dbraw/zinc/80/65/15/780806515.db2.gz CUTLNUSECPSYRX-UHFFFAOYSA-N 1 3 320.433 2.349 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCC1CC([NH2+]CCC2CC2)C1 ZINC001091027182 790837644 /nfs/dbraw/zinc/83/76/44/790837644.db2.gz ZOYRVSLCHLHZTQ-OFLPRAFFSA-N 1 3 307.482 2.144 20 0 DEADHO COC[C@@]12CCCO[C@H]1CCN(C1CC[NH+](CC3CC3)CC1)C2 ZINC001168378416 781745768 /nfs/dbraw/zinc/74/57/68/781745768.db2.gz VCVZEPPEJDFAQG-OALUTQOASA-N 1 3 322.493 2.378 20 0 DEADHO O=C([C@H]1CCCN(C2CC[NH+](CC3CC3)CC2)C1)N1CCCC1 ZINC001168379541 781749165 /nfs/dbraw/zinc/74/91/65/781749165.db2.gz LUZLLAQYZNCWND-KRWDZBQOSA-N 1 3 319.493 2.195 20 0 DEADHO CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC000948066026 783308487 /nfs/dbraw/zinc/30/84/87/783308487.db2.gz MADZONKIOQNVSV-HOCLYGCPSA-N 1 3 303.450 2.351 20 0 DEADHO CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC000948066026 783308498 /nfs/dbraw/zinc/30/84/98/783308498.db2.gz MADZONKIOQNVSV-HOCLYGCPSA-N 1 3 303.450 2.351 20 0 DEADHO CC(C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001089820014 783479182 /nfs/dbraw/zinc/47/91/82/783479182.db2.gz KAGKTSCYWAAPPJ-HPBDAGMYSA-N 1 3 319.493 2.048 20 0 DEADHO CC(C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001089820014 783479188 /nfs/dbraw/zinc/47/91/88/783479188.db2.gz KAGKTSCYWAAPPJ-HPBDAGMYSA-N 1 3 319.493 2.048 20 0 DEADHO CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001099509693 783535185 /nfs/dbraw/zinc/53/51/85/783535185.db2.gz RGJBOWXNHYWWJE-AOIWGVFYSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCC1 ZINC001085628915 783904890 /nfs/dbraw/zinc/90/48/90/783904890.db2.gz HPJMTLZQIGCAKL-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCC1 ZINC001085628915 783904895 /nfs/dbraw/zinc/90/48/95/783904895.db2.gz HPJMTLZQIGCAKL-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1CC1CCC1 ZINC001085628915 783904900 /nfs/dbraw/zinc/90/49/00/783904900.db2.gz HPJMTLZQIGCAKL-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1CC1CCC1 ZINC001085628915 783904905 /nfs/dbraw/zinc/90/49/05/783904905.db2.gz HPJMTLZQIGCAKL-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@@H]2CCN2CC2CC2)C1 ZINC001085778907 784066899 /nfs/dbraw/zinc/06/68/99/784066899.db2.gz JUFGUYZEGBYLCK-SJORKVTESA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)C[C@@H]2CCN2CC2CC2)C1 ZINC001085778907 784066908 /nfs/dbraw/zinc/06/69/08/784066908.db2.gz JUFGUYZEGBYLCK-SJORKVTESA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)N1CC[C@H]1CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001085820263 784107528 /nfs/dbraw/zinc/10/75/28/784107528.db2.gz VFFMPUXLQGHCBV-SFHVURJKSA-N 1 3 317.477 2.345 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC2)C1 ZINC001086084544 784394414 /nfs/dbraw/zinc/39/44/14/784394414.db2.gz VKKRJLRUPIQZRO-BBWFWOEESA-N 1 3 307.482 2.144 20 0 DEADHO CC(C)[N@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC(C)(C)C1 ZINC001074063940 791034665 /nfs/dbraw/zinc/03/46/65/791034665.db2.gz XOLYZFUQVJWODG-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)[N@@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC(C)(C)C1 ZINC001074063940 791034674 /nfs/dbraw/zinc/03/46/74/791034674.db2.gz XOLYZFUQVJWODG-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO C[N@H+](CC1CCCC1)C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001074073427 791041947 /nfs/dbraw/zinc/04/19/47/791041947.db2.gz XTILFGPJMHPLIA-QGZVFWFLSA-N 1 3 318.465 2.455 20 0 DEADHO C[N@@H+](CC1CCCC1)C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001074073427 791041958 /nfs/dbraw/zinc/04/19/58/791041958.db2.gz XTILFGPJMHPLIA-QGZVFWFLSA-N 1 3 318.465 2.455 20 0 DEADHO CN1CCCC[C@@H]1c1ccc(-n2cc3c(n2)CC[C@H]([NH3+])C3)nc1 ZINC001168811116 784925244 /nfs/dbraw/zinc/92/52/44/784925244.db2.gz HOYFQDAMCAQWMT-DOTOQJQBSA-N 1 3 311.433 2.240 20 0 DEADHO NCc1cc(-n2c3cc(Cl)ccc3nc2CCC[NH3+])ccn1 ZINC001168994405 784995508 /nfs/dbraw/zinc/99/55/08/784995508.db2.gz CBLPZBQIMXBGRA-UHFFFAOYSA-N 1 3 315.808 2.424 20 0 DEADHO Cn1cc(-c2cc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)N4C)ccn2)cn1 ZINC001169099684 785033694 /nfs/dbraw/zinc/03/36/94/785033694.db2.gz DUWRVZHVLXUMQF-BJWYYQGGSA-N 1 3 311.433 2.197 20 0 DEADHO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C)c1ccc(S(C)(=O)=O)cc1 ZINC001169078414 785036580 /nfs/dbraw/zinc/03/65/80/785036580.db2.gz FFRDUNVEPNQHKK-QCEMKRCNSA-N 1 3 322.474 2.366 20 0 DEADHO CC(C)C(=O)N1CCC[C@@]12CCN([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169136828 785052846 /nfs/dbraw/zinc/05/28/46/785052846.db2.gz AGRSMDDFKZHSNI-FAJBIJEISA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)C(=O)N1CCC[C@@]12CCN([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169136828 785052851 /nfs/dbraw/zinc/05/28/51/785052851.db2.gz AGRSMDDFKZHSNI-FAJBIJEISA-N 1 3 319.493 2.335 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@]3(C[C@@H](OCC4CC4)CO3)C1)C2 ZINC001169137580 785053231 /nfs/dbraw/zinc/05/32/31/785053231.db2.gz DKXDTOUKQJCWNE-ICBNADEASA-N 1 3 320.477 2.272 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@]3(C[C@@H](OCC4CC4)CO3)C1)C2 ZINC001169137580 785053239 /nfs/dbraw/zinc/05/32/39/785053239.db2.gz DKXDTOUKQJCWNE-ICBNADEASA-N 1 3 320.477 2.272 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCN(CCCF)C2)C1 ZINC001008277161 785160747 /nfs/dbraw/zinc/16/07/47/785160747.db2.gz MRJIOXFHGQQIIX-HZPDHXFCSA-N 1 3 313.461 2.049 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCN(CCCF)C2)C1 ZINC001008277161 785160748 /nfs/dbraw/zinc/16/07/48/785160748.db2.gz MRJIOXFHGQQIIX-HZPDHXFCSA-N 1 3 313.461 2.049 20 0 DEADHO C[NH+]1CCC(C(=O)N[C@@H]2CCCN(CC3=CCCCC3)C2)CC1 ZINC001008407987 785193089 /nfs/dbraw/zinc/19/30/89/785193089.db2.gz XHUNHZYCKKDBGC-GOSISDBHSA-N 1 3 319.493 2.409 20 0 DEADHO Cc1cc(CN2CCC[C@H](NC(=O)C[NH+]3CCCC3)C2)cs1 ZINC001009520339 785472214 /nfs/dbraw/zinc/47/22/14/785472214.db2.gz WXYHIMBZMIQPKF-INIZCTEOSA-N 1 3 321.490 2.233 20 0 DEADHO CN(C)C1(C(=O)NCC[NH2+]C[C@@H]2CCCC(F)(F)C2)CCC1 ZINC001129358882 785500378 /nfs/dbraw/zinc/50/03/78/785500378.db2.gz XHMOXOPOAMUCRT-CYBMUJFWSA-N 1 3 317.424 2.002 20 0 DEADHO CC(C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CC(C)(C)C)C2 ZINC001108764463 785531534 /nfs/dbraw/zinc/53/15/34/785531534.db2.gz MXUCKXCNBYFHHD-JYJNAYRXSA-N 1 3 309.498 2.342 20 0 DEADHO CN(C)C1(C(=O)NCC[NH2+][C@H]2CCc3ccc(F)cc32)CCC1 ZINC001129364143 785540956 /nfs/dbraw/zinc/54/09/56/785540956.db2.gz PYYXXQAKTVLBOF-INIZCTEOSA-N 1 3 319.424 2.003 20 0 DEADHO Cc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCCCN3C)C2)cs1 ZINC001014966841 786831617 /nfs/dbraw/zinc/83/16/17/786831617.db2.gz ZEWBGLSCZHKIJU-HZPDHXFCSA-N 1 3 321.490 2.231 20 0 DEADHO Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCCN3C)C2)cs1 ZINC001014966841 786831625 /nfs/dbraw/zinc/83/16/25/786831625.db2.gz ZEWBGLSCZHKIJU-HZPDHXFCSA-N 1 3 321.490 2.231 20 0 DEADHO Cc1cc(CN2CC[C@@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)cs1 ZINC001014966841 786831635 /nfs/dbraw/zinc/83/16/35/786831635.db2.gz ZEWBGLSCZHKIJU-HZPDHXFCSA-N 1 3 321.490 2.231 20 0 DEADHO Cc1cc(CN2CC[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)cs1 ZINC001014966841 786831646 /nfs/dbraw/zinc/83/16/46/786831646.db2.gz ZEWBGLSCZHKIJU-HZPDHXFCSA-N 1 3 321.490 2.231 20 0 DEADHO CC(C)(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001015498534 787081504 /nfs/dbraw/zinc/08/15/04/787081504.db2.gz KWAQRSHUAORIHZ-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)(C)CC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001015498534 787081513 /nfs/dbraw/zinc/08/15/13/787081513.db2.gz KWAQRSHUAORIHZ-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)[C@H](C(=O)NCC[NH2+]CC1CCC(C)(C)CC1)C1CC1 ZINC001129437299 787213753 /nfs/dbraw/zinc/21/37/53/787213753.db2.gz YOEQDLLDIRULQX-INIZCTEOSA-N 1 3 309.498 2.249 20 0 DEADHO Cc1cc(C)c(C[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C)c(C)c1 ZINC001129946932 787264991 /nfs/dbraw/zinc/26/49/91/787264991.db2.gz AWJZJNLLPZUXEJ-SFHVURJKSA-N 1 3 319.493 2.404 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+][C@@H]1CCc2ccc(Cl)cc21)N(C)C ZINC001130203624 787312984 /nfs/dbraw/zinc/31/29/84/787312984.db2.gz RBOREBXVAHMHGI-HZPDHXFCSA-N 1 3 323.868 2.373 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+]Cc1c(C)cc(C)cc1C)N(C)C ZINC001130197889 787314574 /nfs/dbraw/zinc/31/45/74/787314574.db2.gz QEYKOFCGIWFORS-QGZVFWFLSA-N 1 3 305.466 2.158 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+]CC/C=C/c1ccccc1)N(C)C ZINC001130203411 787314594 /nfs/dbraw/zinc/31/45/94/787314594.db2.gz KPSXOPHSJMPAFZ-FWVUHSSSSA-N 1 3 303.450 2.136 20 0 DEADHO CC(C)CC[NH2+]C1CC(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001100320724 787438171 /nfs/dbraw/zinc/43/81/71/787438171.db2.gz OZDPQRCTUYNMFM-OFLPRAFFSA-N 1 3 309.498 2.390 20 0 DEADHO CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001096020897 787452671 /nfs/dbraw/zinc/45/26/71/787452671.db2.gz UOCSJDFBNHVCKE-SQNIBIBYSA-N 1 3 315.461 2.146 20 0 DEADHO CC(C)[N@@H+]1CCN(c2cc(Cl)nc3c2CCNC3)C[C@@H]1C ZINC001158495560 787801343 /nfs/dbraw/zinc/80/13/43/787801343.db2.gz XOZFGVLQXVEOBK-LBPRGKRZSA-N 1 3 308.857 2.300 20 0 DEADHO CC(C)[N@H+]1CCN(c2cc(Cl)nc3c2CCNC3)C[C@@H]1C ZINC001158495560 787801357 /nfs/dbraw/zinc/80/13/57/787801357.db2.gz XOZFGVLQXVEOBK-LBPRGKRZSA-N 1 3 308.857 2.300 20 0 DEADHO Cc1cccc(CN2C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]2C)c1 ZINC001132274447 788005467 /nfs/dbraw/zinc/00/54/67/788005467.db2.gz UHVQCQVYMCRUIS-FUHWJXTLSA-N 1 3 317.477 2.416 20 0 DEADHO C[C@H](F)CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001097430331 788101475 /nfs/dbraw/zinc/10/14/75/788101475.db2.gz JINIMVVQAXKXQX-JJXSEGSLSA-N 1 3 323.456 2.084 20 0 DEADHO CC[C@H]([NH2+]CCNC(=O)CN1CCC[C@H]1C)c1ccc(F)cc1 ZINC001133823894 788621774 /nfs/dbraw/zinc/62/17/74/788621774.db2.gz RWLPSBIBACMRBF-PBHICJAKSA-N 1 3 321.440 2.467 20 0 DEADHO Cc1cc(C)c(C[NH2+]CCNC(=O)CN2CC[C@@H](C)C2)c(C)c1 ZINC001133851250 788633104 /nfs/dbraw/zinc/63/31/04/788633104.db2.gz ZXNWPNGLUDOXJD-CQSZACIVSA-N 1 3 317.477 2.159 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133896702 788663461 /nfs/dbraw/zinc/66/34/61/788663461.db2.gz PHADCHDDPCSRRB-UHFFFAOYSA-N 1 3 321.440 2.072 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+]Cc1ccc(C(C)C)nc1C)N(C)C ZINC001133982694 788705580 /nfs/dbraw/zinc/70/55/80/788705580.db2.gz IJWQXWCCOXXYPN-KRWDZBQOSA-N 1 3 320.481 2.059 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCF ZINC001170750352 788915115 /nfs/dbraw/zinc/91/51/15/788915115.db2.gz JEXCSUDINICYMV-JKSUJKDBSA-N 1 3 315.477 2.483 20 0 DEADHO C[C@H](C[C@H](C)[NH2+]Cc1ccns1)NC(=O)C1(N(C)C)CCC1 ZINC001134582886 788987196 /nfs/dbraw/zinc/98/71/96/788987196.db2.gz BDZSGFMQPMMWIZ-QWHCGFSZSA-N 1 3 324.494 2.000 20 0 DEADHO C[C@H](C[C@@H](C)[NH2+]C/C=C\Cl)NC(=O)CN1CCC(C)(C)C1 ZINC001135476372 789365544 /nfs/dbraw/zinc/36/55/44/789365544.db2.gz KCZZIOAJSQTVFW-KMVAXQJASA-N 1 3 315.889 2.344 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCOC(C)C ZINC001135706687 789460969 /nfs/dbraw/zinc/46/09/69/789460969.db2.gz ZRANTOJLJGVOMC-CVEARBPZSA-N 1 3 315.502 2.016 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ncccc1C ZINC001135744250 789475078 /nfs/dbraw/zinc/47/50/78/789475078.db2.gz YDVASBWCYIBVHS-JKSUJKDBSA-N 1 3 320.481 2.105 20 0 DEADHO Cc1nocc1CN[C@@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001135967322 789578312 /nfs/dbraw/zinc/57/83/12/789578312.db2.gz UQAIQUWVFUYPIK-KBPBESRZSA-N 1 3 324.469 2.088 20 0 DEADHO Cc1ncc(CN[C@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C)o1 ZINC001135973601 789584241 /nfs/dbraw/zinc/58/42/41/789584241.db2.gz AUUJAGBZNPFKAS-KGLIPLIRSA-N 1 3 324.469 2.088 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1c(C)noc1C ZINC001135976514 789587679 /nfs/dbraw/zinc/58/76/79/789587679.db2.gz KTIORRZGJXQKPI-CHWSQXEVSA-N 1 3 324.469 2.006 20 0 DEADHO CC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001136032230 789601180 /nfs/dbraw/zinc/60/11/80/789601180.db2.gz XUINNTBVQMVERU-AFJNRPGYSA-N 1 3 306.454 2.490 20 0 DEADHO CC(C)=CCN1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001071994835 790003339 /nfs/dbraw/zinc/00/33/39/790003339.db2.gz HQHIEYMTQWANOG-JKSUJKDBSA-N 1 3 305.466 2.018 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001072812272 790256078 /nfs/dbraw/zinc/25/60/78/790256078.db2.gz YSLPSRSYFYIEIF-OAHLLOKOSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001072812272 790256083 /nfs/dbraw/zinc/25/60/83/790256083.db2.gz YSLPSRSYFYIEIF-OAHLLOKOSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCc1ccccc1 ZINC001146593838 791317938 /nfs/dbraw/zinc/31/79/38/791317938.db2.gz QNKXNRBXCILJBJ-DLBZAZTESA-N 1 3 319.493 2.442 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]Cc3ccccc3)[C@@H]2C)C1 ZINC001074878354 791363837 /nfs/dbraw/zinc/36/38/37/791363837.db2.gz PAEKADNDSMYPMP-BQFCYCMXSA-N 1 3 315.461 2.107 20 0 DEADHO CCC[NH+](CCC)CCCC(=O)NCCNCc1cccnc1 ZINC001147448960 791548139 /nfs/dbraw/zinc/54/81/39/791548139.db2.gz BERMFIOUMKVKLE-UHFFFAOYSA-N 1 3 320.481 2.190 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC001148642816 791780573 /nfs/dbraw/zinc/78/05/73/791780573.db2.gz OFCYGPOFNWLQLA-INIZCTEOSA-N 1 3 309.429 2.324 20 0 DEADHO CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001086946164 791858859 /nfs/dbraw/zinc/85/88/59/791858859.db2.gz RVNRXJBNCIVWEQ-OAHLLOKOSA-N 1 3 318.465 2.455 20 0 DEADHO CN(C)[C@H](C(=O)NCC1CC([NH2+]CC2=CCCCC2)C1)C1CC1 ZINC001100407703 792633458 /nfs/dbraw/zinc/63/34/58/792633458.db2.gz GMKZHNXSRAEHPZ-VJFUWPCTSA-N 1 3 319.493 2.311 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1CC([NH2+]CCCCCF)C1)N(C)C ZINC001100426400 792641497 /nfs/dbraw/zinc/64/14/97/792641497.db2.gz GFDPJXMUNPZJTE-GPANFISMSA-N 1 3 315.477 2.197 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2CC2)[C@H](C)C1 ZINC001094088651 792723064 /nfs/dbraw/zinc/72/30/64/792723064.db2.gz GCEWJUXZAKMFPP-NXHRZFHOSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@H](C(=O)NCC1CC([NH2+]CCCCCF)C1)N(C)C ZINC001100647149 792767056 /nfs/dbraw/zinc/76/70/56/792767056.db2.gz GFDPJXMUNPZJTE-UYSNPLJNSA-N 1 3 315.477 2.197 20 0 DEADHO CN(CC(=O)NCC1CC([NH2+]CC2CCC2)C1)CC(C)(C)C ZINC001100681573 792785225 /nfs/dbraw/zinc/78/52/25/792785225.db2.gz NFFVEMIBMCCPED-UHFFFAOYSA-N 1 3 309.498 2.249 20 0 DEADHO CC[C@@H](C(=O)NCC1CC([NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001100683533 792787457 /nfs/dbraw/zinc/78/74/57/792787457.db2.gz GMMBWIQTWRDUDB-PREGVCBESA-N 1 3 321.440 2.150 20 0 DEADHO CCCN(C)CC(=O)NCC1CC([NH2+]CC2CC3(CCC3)C2)C1 ZINC001100904879 792910405 /nfs/dbraw/zinc/91/04/05/792910405.db2.gz MLNGJLFLYBEABU-UHFFFAOYSA-N 1 3 321.509 2.393 20 0 DEADHO CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110161771 793056977 /nfs/dbraw/zinc/05/69/77/793056977.db2.gz SIBKMOJDPYVLNV-LTIDMASMSA-N 1 3 307.482 2.238 20 0 DEADHO CCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@]2(C)C1 ZINC001101277369 793095593 /nfs/dbraw/zinc/09/55/93/793095593.db2.gz FAQIGGJTWRXJNO-NUJGCVRESA-N 1 3 309.498 2.297 20 0 DEADHO CCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@]2(C)C1 ZINC001101277369 793095606 /nfs/dbraw/zinc/09/56/06/793095606.db2.gz FAQIGGJTWRXJNO-NUJGCVRESA-N 1 3 309.498 2.297 20 0 DEADHO CN(C)C(=O)N1CCC[C@H](NC2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171625511 793156473 /nfs/dbraw/zinc/15/64/73/793156473.db2.gz KJJRBJDOBPDDPZ-AWEZNQCLSA-N 1 3 324.513 2.373 20 0 DEADHO CN(C)C(=O)N1CCC[C@H]([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171625511 793156479 /nfs/dbraw/zinc/15/64/79/793156479.db2.gz KJJRBJDOBPDDPZ-AWEZNQCLSA-N 1 3 324.513 2.373 20 0 DEADHO CC(C)(C[NH2+]CC1CC1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001101595374 793258498 /nfs/dbraw/zinc/25/84/98/793258498.db2.gz DSFNIJCGFYSLCD-UHFFFAOYSA-N 1 3 321.509 2.347 20 0 DEADHO CC(C)(C)C[NH+]1CCC(N[C@H]2CCN(C3CC3)C(=O)C2)CC1 ZINC001172006649 793278919 /nfs/dbraw/zinc/27/89/19/793278919.db2.gz YNMHXPIFPCKHPU-HNNXBMFYSA-N 1 3 307.482 2.240 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H](CO)COCc1ccccc1)C2 ZINC001172104387 793328049 /nfs/dbraw/zinc/32/80/49/793328049.db2.gz CJVGEGOYOKAMCY-CADBVGFASA-N 1 3 318.461 2.169 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H](CO)COCc1ccccc1)C2 ZINC001172104387 793328055 /nfs/dbraw/zinc/32/80/55/793328055.db2.gz CJVGEGOYOKAMCY-CADBVGFASA-N 1 3 318.461 2.169 20 0 DEADHO CC(C)N1CCN(CC[NH2+][C@@H]2CSc3ccccc3C2)CC1 ZINC001172185432 793344665 /nfs/dbraw/zinc/34/46/65/793344665.db2.gz BVYFOVWDWLDWTN-KRWDZBQOSA-N 1 3 319.518 2.319 20 0 DEADHO CN1CCN(Cc2ccccc2C[NH2+][C@@H]2COC(C)(C)C2)CC1 ZINC001172272311 793379129 /nfs/dbraw/zinc/37/91/29/793379129.db2.gz XWVWTXZFEMNISS-SFHVURJKSA-N 1 3 317.477 2.091 20 0 DEADHO CC1(C)C[C@H]([NH2+]CC2CCN(Cc3ccccn3)CC2)CO1 ZINC001172279841 793392541 /nfs/dbraw/zinc/39/25/41/793392541.db2.gz QEWVZIYEDNMWSE-KRWDZBQOSA-N 1 3 303.450 2.451 20 0 DEADHO CC1(C)C[C@H](N2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)CO1 ZINC001172287222 793403647 /nfs/dbraw/zinc/40/36/47/793403647.db2.gz KCFRNRWFTPZBAJ-OKZBNKHCSA-N 1 3 322.493 2.377 20 0 DEADHO CC1(C)C[C@H](N2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)CO1 ZINC001172287222 793403654 /nfs/dbraw/zinc/40/36/54/793403654.db2.gz KCFRNRWFTPZBAJ-OKZBNKHCSA-N 1 3 322.493 2.377 20 0 DEADHO CC1(C)C[C@H]([N@@H+]2C[C@@H]3CN(CC4CCCC4)CCO[C@@H]3C2)CO1 ZINC001172287222 793403660 /nfs/dbraw/zinc/40/36/60/793403660.db2.gz KCFRNRWFTPZBAJ-OKZBNKHCSA-N 1 3 322.493 2.377 20 0 DEADHO CC1(C)C[C@H]([N@H+]2C[C@@H]3CN(CC4CCCC4)CCO[C@@H]3C2)CO1 ZINC001172287222 793403665 /nfs/dbraw/zinc/40/36/65/793403665.db2.gz KCFRNRWFTPZBAJ-OKZBNKHCSA-N 1 3 322.493 2.377 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1C)N(C)C ZINC001102088485 793500440 /nfs/dbraw/zinc/50/04/40/793500440.db2.gz XNWWDMYEAFVTAL-FVQBIDKESA-N 1 3 323.506 2.272 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1C)N(C)C ZINC001102088485 793500446 /nfs/dbraw/zinc/50/04/46/793500446.db2.gz XNWWDMYEAFVTAL-FVQBIDKESA-N 1 3 323.506 2.272 20 0 DEADHO Cc1ccc2c(c1)C[C@H]([NH2+]CCN1CCN(C(C)C)CC1)CC2 ZINC001172833902 793509526 /nfs/dbraw/zinc/50/95/26/793509526.db2.gz CBJZYRYZPPFHLP-HXUWFJFHSA-N 1 3 315.505 2.468 20 0 DEADHO CCC(CC)C[N@H+]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001102531701 793643611 /nfs/dbraw/zinc/64/36/11/793643611.db2.gz AQUFDFDWQRJDNO-CZUORRHYSA-N 1 3 320.481 2.381 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001102531701 793643616 /nfs/dbraw/zinc/64/36/16/793643616.db2.gz AQUFDFDWQRJDNO-CZUORRHYSA-N 1 3 320.481 2.381 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001102531851 793644630 /nfs/dbraw/zinc/64/46/30/793644630.db2.gz IRRZQDBBLDSUSH-KRHNWMDASA-N 1 3 318.465 2.301 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001102531851 793644643 /nfs/dbraw/zinc/64/46/43/793644643.db2.gz IRRZQDBBLDSUSH-KRHNWMDASA-N 1 3 318.465 2.301 20 0 DEADHO CN1C(C)(C)CC([NH2+][C@@H]2CCC[C@H](n3ncnn3)C2)CC1(C)C ZINC001173757873 793841159 /nfs/dbraw/zinc/84/11/59/793841159.db2.gz PRDWGURVEQGBRB-HIFRSBDPSA-N 1 3 320.485 2.398 20 0 DEADHO CC[C@H](C(=O)NCC[C@@H]1C[N@H+](CCC(C)C)C[C@H]1C)N(C)C ZINC001103139971 793954559 /nfs/dbraw/zinc/95/45/59/793954559.db2.gz GVUXBTTXJRFAEY-BRWVUGGUSA-N 1 3 311.514 2.447 20 0 DEADHO CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C)N(C)C ZINC001103139971 793954563 /nfs/dbraw/zinc/95/45/63/793954563.db2.gz GVUXBTTXJRFAEY-BRWVUGGUSA-N 1 3 311.514 2.447 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1cccnc1)N(C)C ZINC001175318041 794180469 /nfs/dbraw/zinc/18/04/69/794180469.db2.gz UTFGQMLHZYIUET-WBVHZDCISA-N 1 3 320.481 2.186 20 0 DEADHO CC(C)=CC[NH2+]CCCNC(=O)c1ccccc1CN(C)C ZINC001176948478 794538673 /nfs/dbraw/zinc/53/86/73/794538673.db2.gz ZOCURSWNAJJRLJ-UHFFFAOYSA-N 1 3 303.450 2.424 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NCCC[NH2+]CC1CCC1 ZINC001176948233 794539052 /nfs/dbraw/zinc/53/90/52/794539052.db2.gz LQRCRJJSPYTJLT-UHFFFAOYSA-N 1 3 303.450 2.258 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[NH2+]CCCc1ccsc1 ZINC001176971811 794543331 /nfs/dbraw/zinc/54/33/31/794543331.db2.gz ISHUCQOOCRFSIC-UHFFFAOYSA-N 1 3 311.495 2.117 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001176972204 794543642 /nfs/dbraw/zinc/54/36/42/794543642.db2.gz QJXBTBNGGCHMHT-CQSZACIVSA-N 1 3 319.440 2.248 20 0 DEADHO CCCCCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(C)C)C[C@H]21 ZINC001114982525 794645749 /nfs/dbraw/zinc/64/57/49/794645749.db2.gz QICJKRKNGBYQKZ-VQFNDLOPSA-N 1 3 309.498 2.201 20 0 DEADHO CCCCCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(C)C)C[C@H]21 ZINC001114982525 794645752 /nfs/dbraw/zinc/64/57/52/794645752.db2.gz QICJKRKNGBYQKZ-VQFNDLOPSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCC3CCCC3)C[C@H]21 ZINC001115304024 794728152 /nfs/dbraw/zinc/72/81/52/794728152.db2.gz NFFGIIVZDHINET-DZFIZOCASA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC3CCCC3)C[C@H]21 ZINC001115304024 794728156 /nfs/dbraw/zinc/72/81/56/794728156.db2.gz NFFGIIVZDHINET-DZFIZOCASA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@H](C(=O)NCC1([NH2+]CCCF)CCCCC1)N(C)C ZINC001115715866 794893080 /nfs/dbraw/zinc/89/30/80/794893080.db2.gz YFLPTTIWXILYFS-OAHLLOKOSA-N 1 3 315.477 2.341 20 0 DEADHO CCCCCC[NH2+][C@H]1CCN(C(=O)CN2CC[C@H](C)C2)[C@H]1C ZINC001179539468 795134736 /nfs/dbraw/zinc/13/47/36/795134736.db2.gz YMBMSCCRWNVFQW-ULQDDVLXSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H]1C ZINC001179546285 795135682 /nfs/dbraw/zinc/13/56/82/795135682.db2.gz JNGZXTKQYSEVHE-JYJNAYRXSA-N 1 3 309.498 2.343 20 0 DEADHO CC1(C)CCN(CC(=O)NCCCCCC[NH2+]CCCF)C1 ZINC001179592973 795140113 /nfs/dbraw/zinc/14/01/13/795140113.db2.gz SKCKPRHTXJEUJE-UHFFFAOYSA-N 1 3 315.477 2.344 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]CC[C@@H](C)F)CCCCC1 ZINC001120045950 795397843 /nfs/dbraw/zinc/39/78/43/795397843.db2.gz JXHADUYIGGRXLO-OAHLLOKOSA-N 1 3 315.477 2.485 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001120440120 795460119 /nfs/dbraw/zinc/46/01/19/795460119.db2.gz LTGLXMUCROXFBR-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001120440120 795460121 /nfs/dbraw/zinc/46/01/21/795460121.db2.gz LTGLXMUCROXFBR-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CCF)C1 ZINC001120449080 795461866 /nfs/dbraw/zinc/46/18/66/795461866.db2.gz JDTFVHGIIFRDLU-HOTGVXAUSA-N 1 3 313.461 2.001 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CCF)C1 ZINC001120449080 795461868 /nfs/dbraw/zinc/46/18/68/795461868.db2.gz JDTFVHGIIFRDLU-HOTGVXAUSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001182638028 795717343 /nfs/dbraw/zinc/71/73/43/795717343.db2.gz XPNJLBFDTYUHTE-XLMAVXFVSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)N(C)CC(=O)NC1CC2(C1)CC([NH2+]C/C=C\Cl)C2 ZINC001122243073 795739095 /nfs/dbraw/zinc/73/90/95/795739095.db2.gz ZMZPJDTYCAYEPV-PLNGDYQASA-N 1 3 313.873 2.096 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC[C@@H](C)F)C1 ZINC001183228809 795828773 /nfs/dbraw/zinc/82/87/73/795828773.db2.gz UETHMAOHMDBJAA-BFYDXBDKSA-N 1 3 315.477 2.151 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC/C=C/Cl)C1 ZINC001183867669 795955601 /nfs/dbraw/zinc/95/56/01/795955601.db2.gz HTZWITVIQPJPOT-PWZNUNQRSA-N 1 3 313.873 2.050 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC/C=C/Cl)C1 ZINC001183867669 795955609 /nfs/dbraw/zinc/95/56/09/795955609.db2.gz HTZWITVIQPJPOT-PWZNUNQRSA-N 1 3 313.873 2.050 20 0 DEADHO COC(=O)C[C@H]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001138772116 796271831 /nfs/dbraw/zinc/27/18/31/796271831.db2.gz PFWKYDZWKOIZGB-MRXNPFEDSA-N 1 3 320.433 2.012 20 0 DEADHO C[NH+]1CCC2(CN(Cc3ccccc3N3CCOCC3)C2)CC1 ZINC001139506940 796389295 /nfs/dbraw/zinc/38/92/95/796389295.db2.gz GLDKNZVZUQMNFI-UHFFFAOYSA-N 1 3 315.461 2.051 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCC2CC2)C1 ZINC001186405698 796399708 /nfs/dbraw/zinc/39/97/08/796399708.db2.gz YBUZLBUYFPICCR-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CCCCCF)C2)CC1 ZINC001186554376 796414905 /nfs/dbraw/zinc/41/49/05/796414905.db2.gz CLDCVGXMZYPHPS-MRXNPFEDSA-N 1 3 313.461 2.049 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001187321970 796517233 /nfs/dbraw/zinc/51/72/33/796517233.db2.gz KAVOHHQLXJCQGY-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001187307143 796522350 /nfs/dbraw/zinc/52/23/50/796522350.db2.gz WHHDVHLOGLEEQC-WMLDXEAASA-N 1 3 321.440 2.419 20 0 DEADHO CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001190667537 797044380 /nfs/dbraw/zinc/04/43/80/797044380.db2.gz VFPDMLHIFMJBAG-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001190667537 797044388 /nfs/dbraw/zinc/04/43/88/797044388.db2.gz VFPDMLHIFMJBAG-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC[NH2+]CCCc1ccccc1 ZINC001152146824 797150215 /nfs/dbraw/zinc/15/02/15/797150215.db2.gz JWVRVNZDQKRBQR-IRXDYDNUSA-N 1 3 317.477 2.198 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NCC[NH2+]CCC(F)(F)F ZINC001152393405 797182208 /nfs/dbraw/zinc/18/22/08/797182208.db2.gz LQQIALJYNAQGIY-UHFFFAOYSA-N 1 3 317.355 2.020 20 0 DEADHO CC(C)=CCN(C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001191967128 797299242 /nfs/dbraw/zinc/29/92/42/797299242.db2.gz FEVAFVNKXXMHJK-YESZJQIVSA-N 1 3 307.482 2.216 20 0 DEADHO CC(C)=CCN(C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001191967128 797299245 /nfs/dbraw/zinc/29/92/45/797299245.db2.gz FEVAFVNKXXMHJK-YESZJQIVSA-N 1 3 307.482 2.216 20 0 DEADHO CC[N@H+](CCCF)[C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001153312577 797319857 /nfs/dbraw/zinc/31/98/57/797319857.db2.gz LIEQQPXJPXDIJP-HUUCEWRRSA-N 1 3 301.450 2.045 20 0 DEADHO CC[N@@H+](CCCF)[C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001153312577 797319865 /nfs/dbraw/zinc/31/98/65/797319865.db2.gz LIEQQPXJPXDIJP-HUUCEWRRSA-N 1 3 301.450 2.045 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)CC2CC2)C1 ZINC001192907540 797469375 /nfs/dbraw/zinc/46/93/75/797469375.db2.gz XEEPSDYKDFOGFI-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)CC2CC2)C1 ZINC001192907540 797469379 /nfs/dbraw/zinc/46/93/79/797469379.db2.gz XEEPSDYKDFOGFI-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@H]1CCN(Cc2cn(C)nc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC001205638712 797595112 /nfs/dbraw/zinc/59/51/12/797595112.db2.gz RHHFPMPDUFZZRH-GHMZBOCLSA-N 1 3 304.360 2.246 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCC(C)C)C1 ZINC001194266677 797702821 /nfs/dbraw/zinc/70/28/21/797702821.db2.gz XZNZGJJFGJOTMR-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCC(C)C)C1 ZINC001194266677 797702823 /nfs/dbraw/zinc/70/28/23/797702823.db2.gz XZNZGJJFGJOTMR-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)CCC2CCCC2)C1 ZINC001194296284 797710849 /nfs/dbraw/zinc/71/08/49/797710849.db2.gz YZVYQKJTIKQXPQ-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001194296284 797710852 /nfs/dbraw/zinc/71/08/52/797710852.db2.gz YZVYQKJTIKQXPQ-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CC[N@H+](Cc1ccccc1)[C@H](C)CNC(=O)CN1CCC[C@@H]1C ZINC001155226660 797712819 /nfs/dbraw/zinc/71/28/19/797712819.db2.gz MJUQYMPNWLPJQR-DLBZAZTESA-N 1 3 317.477 2.498 20 0 DEADHO CC[N@@H+](Cc1ccccc1)[C@H](C)CNC(=O)CN1CCC[C@@H]1C ZINC001155226660 797712824 /nfs/dbraw/zinc/71/28/24/797712824.db2.gz MJUQYMPNWLPJQR-DLBZAZTESA-N 1 3 317.477 2.498 20 0 DEADHO CCCCC[N@@H+]1CCCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001196011092 797992985 /nfs/dbraw/zinc/99/29/85/797992985.db2.gz YGPCZGKSCZUJHF-INIZCTEOSA-N 1 3 315.477 2.391 20 0 DEADHO CCCCC[N@H+]1CCCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001196011092 797992987 /nfs/dbraw/zinc/99/29/87/797992987.db2.gz YGPCZGKSCZUJHF-INIZCTEOSA-N 1 3 315.477 2.391 20 0 DEADHO CCC/C=C\CCN1CCCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001197158736 798157665 /nfs/dbraw/zinc/15/76/65/798157665.db2.gz VJEVYLTXBDNICV-PLQXZHKYSA-N 1 3 321.509 2.465 20 0 DEADHO CCC/C=C\CCN1CCCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001197158736 798157666 /nfs/dbraw/zinc/15/76/66/798157666.db2.gz VJEVYLTXBDNICV-PLQXZHKYSA-N 1 3 321.509 2.465 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CCCN(CCCCCF)CC1 ZINC001197708095 798228470 /nfs/dbraw/zinc/22/84/70/798228470.db2.gz VPNTUVQOPHCAJT-UHFFFAOYSA-N 1 3 301.450 2.002 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CCCN(CCCCCF)CC1 ZINC001197708095 798228475 /nfs/dbraw/zinc/22/84/75/798228475.db2.gz VPNTUVQOPHCAJT-UHFFFAOYSA-N 1 3 301.450 2.002 20 0 DEADHO CC(C)N(C)CC(=O)NCC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001152439633 798318620 /nfs/dbraw/zinc/31/86/20/798318620.db2.gz QCBGCLOSZZRSCQ-CYBMUJFWSA-N 1 3 311.857 2.447 20 0 DEADHO N[C@@H]1CC[N@@H+](C2CCN(c3ccc4cc(F)ccc4n3)CC2)C1 ZINC001158259386 798368764 /nfs/dbraw/zinc/36/87/64/798368764.db2.gz RJIBPCIINPVBSY-OAHLLOKOSA-N 1 3 314.408 2.376 20 0 DEADHO N[C@@H]1CC[N@H+](C2CCN(c3ccc4cc(F)ccc4n3)CC2)C1 ZINC001158259386 798368768 /nfs/dbraw/zinc/36/87/68/798368768.db2.gz RJIBPCIINPVBSY-OAHLLOKOSA-N 1 3 314.408 2.376 20 0 DEADHO [NH3+]Cc1cccc2c1cnn2-c1cc(Cl)nc2c1CCNC2 ZINC001158311473 798382891 /nfs/dbraw/zinc/38/28/91/798382891.db2.gz UKEWNMOYWBSUJS-UHFFFAOYSA-N 1 3 313.792 2.178 20 0 DEADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC2(C=Cc3ccccc32)CC1 ZINC001158314880 798383572 /nfs/dbraw/zinc/38/35/72/798383572.db2.gz UHBPBLLWSMODON-KRWDZBQOSA-N 1 3 313.445 2.030 20 0 DEADHO CCN[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccccc1OC ZINC001198766737 798393215 /nfs/dbraw/zinc/39/32/15/798393215.db2.gz GYGVUVLHODNNOD-RDJZCZTQSA-N 1 3 321.465 2.048 20 0 DEADHO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ncc2c(n1)CCNC2 ZINC001158730777 798459815 /nfs/dbraw/zinc/45/98/15/798459815.db2.gz SRRKICDUGIBFLP-HNNXBMFYSA-N 1 3 309.417 2.362 20 0 DEADHO CCc1cccc(C[NH2+]CCCNC(=O)C2(N(C)C)CCC2)c1 ZINC001159854986 798618596 /nfs/dbraw/zinc/61/85/96/798618596.db2.gz YXAXIMGKQYUTBJ-UHFFFAOYSA-N 1 3 317.477 2.329 20 0 DEADHO CN(C)C1(C(=O)NCCC[NH2+]CCCc2ccccc2)CCC1 ZINC001159862134 798619208 /nfs/dbraw/zinc/61/92/08/798619208.db2.gz WELFACCEJYFLOE-UHFFFAOYSA-N 1 3 317.477 2.199 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)[C@@H](C2CC2)N(C)C)c(C)c1 ZINC001159932224 798627736 /nfs/dbraw/zinc/62/77/36/798627736.db2.gz OVJQVBPEJSBVSH-GOSISDBHSA-N 1 3 317.477 2.240 20 0 DEADHO Cc1cc(C[NH2+]CCCNC(=O)[C@H](C2CC2)N(C)C)c(C)s1 ZINC001159931795 798627854 /nfs/dbraw/zinc/62/78/54/798627854.db2.gz IITNQLRNEKJLCK-INIZCTEOSA-N 1 3 323.506 2.301 20 0 DEADHO NCc1cnccc1N(c1cccc(F)c1N)C1CC[NH2+]CC1 ZINC001160064984 798644269 /nfs/dbraw/zinc/64/42/69/798644269.db2.gz YZAVSXHZWSDAKQ-UHFFFAOYSA-N 1 3 315.396 2.152 20 0 DEADHO CN(C)C1(C(=O)NCCC2=CC[N@H+](CC3CCC3)CC2)CCC1 ZINC001160359813 798679461 /nfs/dbraw/zinc/67/94/61/798679461.db2.gz BKKADRUPCUUYBA-UHFFFAOYSA-N 1 3 319.493 2.409 20 0 DEADHO CN(C)C1(C(=O)NCCC2=CC[N@@H+](CC3CCC3)CC2)CCC1 ZINC001160359813 798679464 /nfs/dbraw/zinc/67/94/64/798679464.db2.gz BKKADRUPCUUYBA-UHFFFAOYSA-N 1 3 319.493 2.409 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC1=CC[N@H+](CC2CC2)CC1)N(C)C ZINC001160406382 798684215 /nfs/dbraw/zinc/68/42/15/798684215.db2.gz OEFDLWFBIGENRI-KRWDZBQOSA-N 1 3 307.482 2.121 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC1=CC[N@@H+](CC2CC2)CC1)N(C)C ZINC001160406382 798684218 /nfs/dbraw/zinc/68/42/18/798684218.db2.gz OEFDLWFBIGENRI-KRWDZBQOSA-N 1 3 307.482 2.121 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CCc1ccccc1F)N(C)C ZINC001160425948 798686658 /nfs/dbraw/zinc/68/66/58/798686658.db2.gz ASRZXSZDQLFADO-KRWDZBQOSA-N 1 3 323.456 2.050 20 0 DEADHO Cc1cccc(C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001160421501 798686936 /nfs/dbraw/zinc/68/69/36/798686936.db2.gz SYBSQPUSTGDNJN-KRWDZBQOSA-N 1 3 305.466 2.177 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001160882875 798754044 /nfs/dbraw/zinc/75/40/44/798754044.db2.gz ALABAYGWISKGPL-GFCCVEGCSA-N 1 3 317.886 2.338 20 0 DEADHO Cc1ccc(CN(C)C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)cc1C ZINC001161097413 798795275 /nfs/dbraw/zinc/79/52/75/798795275.db2.gz ZTVZSWUHDRHSPK-QGZVFWFLSA-N 1 3 315.461 2.136 20 0 DEADHO Cc1ccc(CN(C)C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)cc1C ZINC001161097413 798795280 /nfs/dbraw/zinc/79/52/80/798795280.db2.gz ZTVZSWUHDRHSPK-QGZVFWFLSA-N 1 3 315.461 2.136 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161208437 798810379 /nfs/dbraw/zinc/81/03/79/798810379.db2.gz RVGJEQRRMPDFAG-KRWDZBQOSA-N 1 3 307.482 2.099 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001161226300 798813231 /nfs/dbraw/zinc/81/32/31/798813231.db2.gz BTTUYNFAQREPNS-OWCLPIDISA-N 1 3 309.498 2.249 20 0 DEADHO CC[C@@H](C(=O)NCCC1=CC[N@H+](CCC2CC2)CC1)N(C)C ZINC001161240596 798815797 /nfs/dbraw/zinc/81/57/97/798815797.db2.gz ZJIAIDIDNBJAFR-KRWDZBQOSA-N 1 3 307.482 2.265 20 0 DEADHO CC[C@@H](C(=O)NCCC1=CC[N@@H+](CCC2CC2)CC1)N(C)C ZINC001161240596 798815803 /nfs/dbraw/zinc/81/58/03/798815803.db2.gz ZJIAIDIDNBJAFR-KRWDZBQOSA-N 1 3 307.482 2.265 20 0 DEADHO C[NH+](C)CCCC(=O)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001202217138 798843027 /nfs/dbraw/zinc/84/30/27/798843027.db2.gz JLJSNJMHVWTMKR-BENRWUELSA-N 1 3 322.280 2.228 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC([NH2+]CCCCCF)CC1)N(C)C ZINC001202353470 798872417 /nfs/dbraw/zinc/87/24/17/798872417.db2.gz MLBNSQQYDLTAKQ-MRXNPFEDSA-N 1 3 315.477 2.293 20 0 DEADHO C[NH+](C)CCCCNc1nc(CN)ccc1NC(=O)C(C)(C)C ZINC001161725391 798923559 /nfs/dbraw/zinc/92/35/59/798923559.db2.gz YFGQZMJFYPGGFH-UHFFFAOYSA-N 1 3 321.469 2.279 20 0 DEADHO CCC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC001114405456 799089656 /nfs/dbraw/zinc/08/96/56/799089656.db2.gz SMPYMNIBDKLYEV-KENDRJFVSA-N 1 3 319.493 2.264 20 0 DEADHO CCC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC001114405456 799089663 /nfs/dbraw/zinc/08/96/63/799089663.db2.gz SMPYMNIBDKLYEV-KENDRJFVSA-N 1 3 319.493 2.264 20 0 DEADHO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ccc2c(c1)COC21CNC1 ZINC001162472001 799096284 /nfs/dbraw/zinc/09/62/84/799096284.db2.gz SQUVQFCPYQSYGK-ZIAGYGMSSA-N 1 3 301.434 2.063 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCC3)C[C@H]21)N(C)C ZINC001114443128 799113775 /nfs/dbraw/zinc/11/37/75/799113775.db2.gz WBAVLXPRIYGBHO-MLHJIOFPSA-N 1 3 321.509 2.199 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21)N(C)C ZINC001114443128 799113778 /nfs/dbraw/zinc/11/37/78/799113778.db2.gz WBAVLXPRIYGBHO-MLHJIOFPSA-N 1 3 321.509 2.199 20 0 DEADHO CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N(C)CC ZINC001114484443 799142818 /nfs/dbraw/zinc/14/28/18/799142818.db2.gz ZHDRZQALZJTMCQ-ZSHCYNCHSA-N 1 3 309.498 2.343 20 0 DEADHO CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N(C)CC ZINC001114484443 799142823 /nfs/dbraw/zinc/14/28/23/799142823.db2.gz ZHDRZQALZJTMCQ-ZSHCYNCHSA-N 1 3 309.498 2.343 20 0 DEADHO CCOc1ccc(Cl)nc1NC(=[NH2+])NCCN(CC)CC ZINC001163126037 799253078 /nfs/dbraw/zinc/25/30/78/799253078.db2.gz NWPWYMVIWLDIGY-UHFFFAOYSA-N 1 3 313.833 2.412 20 0 DEADHO CCN(CC)CCNC(=[NH2+])Nc1nc(Cl)nc2[nH]cc(C)c21 ZINC001163126905 799253497 /nfs/dbraw/zinc/25/34/97/799253497.db2.gz VNVQDUROEFBYOJ-UHFFFAOYSA-N 1 3 323.832 2.198 20 0 DEADHO Cc1nc2[nH]ccc2cc1NCC1(N(C)C)CC[NH+](C)CC1 ZINC001164212746 799540365 /nfs/dbraw/zinc/54/03/65/799540365.db2.gz AQJQHDSWVBDXBL-UHFFFAOYSA-N 1 3 301.438 2.261 20 0 DEADHO CN(C)/C=C/c1ccncc1NCC1([NH+](C)C)CCN(C)CC1 ZINC001164216705 799542485 /nfs/dbraw/zinc/54/24/85/799542485.db2.gz IVZNHNWRCLXWJE-YRNVUSSQSA-N 1 3 317.481 2.052 20 0 DEADHO CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001095417417 799586803 /nfs/dbraw/zinc/58/68/03/799586803.db2.gz QKNFWQNABHJVCP-BGTYHANMSA-N 1 3 319.493 2.382 20 0 DEADHO CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001095417417 799586805 /nfs/dbraw/zinc/58/68/05/799586805.db2.gz QKNFWQNABHJVCP-BGTYHANMSA-N 1 3 319.493 2.382 20 0 DEADHO CN(Cc1ccc(N2C[C@@H]3C[C@]3(C[NH+](C)C)C2)nc1)C1CC1 ZINC001165183874 799668623 /nfs/dbraw/zinc/66/86/23/799668623.db2.gz WBNSFWYWJVQWBG-YJBOKZPZSA-N 1 3 300.450 2.064 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CC1CC2(CCC2)C1 ZINC001166626131 799904555 /nfs/dbraw/zinc/90/45/55/799904555.db2.gz BGRZWQZLPQASBO-HNNXBMFYSA-N 1 3 307.482 2.147 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]Cc1ccc(CF)cc1 ZINC001166633695 799906988 /nfs/dbraw/zinc/90/69/88/799906988.db2.gz JUEGCYITFPOAMZ-OAHLLOKOSA-N 1 3 321.440 2.236 20 0 DEADHO CCc1cccc(C[NH2+]CCCNC(=O)CN2CC[C@H](C)C2)c1 ZINC001166667880 799916126 /nfs/dbraw/zinc/91/61/26/799916126.db2.gz KHFIQOUPMAFVEP-INIZCTEOSA-N 1 3 317.477 2.187 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)CN2CC[C@@H](C)C2)cc1C ZINC001166676662 799918024 /nfs/dbraw/zinc/91/80/24/799918024.db2.gz AOYZTJCXJBNZPU-OAHLLOKOSA-N 1 3 317.477 2.241 20 0 DEADHO CC[C@H](F)C[NH2+]CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001166687570 799921650 /nfs/dbraw/zinc/92/16/50/799921650.db2.gz WZXAGSMSOXNRSN-XJKSGUPXSA-N 1 3 319.440 2.043 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203658502 800100982 /nfs/dbraw/zinc/10/09/82/800100982.db2.gz BWIPEMFXRDOEBT-CVEARBPZSA-N 1 3 316.449 2.244 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CC2)C12CCC2 ZINC001203791481 800123240 /nfs/dbraw/zinc/12/32/40/800123240.db2.gz IZIKOVCAAHCIAO-HOTGVXAUSA-N 1 3 307.482 2.144 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]([NH2+]CCC2CC2)C12CCC2 ZINC001203791485 800123339 /nfs/dbraw/zinc/12/33/39/800123339.db2.gz IZIKOVCAAHCIAO-JKSUJKDBSA-N 1 3 307.482 2.144 20 0 DEADHO CC(C)CCC[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001204793892 800257853 /nfs/dbraw/zinc/25/78/53/800257853.db2.gz QXQLJNALTFPUON-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO COC(=O)c1cccc2c(CN3CCC[C@H]([NH3+])CC3)c[nH]c21 ZINC001205117968 800299446 /nfs/dbraw/zinc/29/94/46/800299446.db2.gz ZTQWASMHSRXFLV-ZDUSSCGKSA-N 1 3 301.390 2.268 20 0 DEADHO COC(=O)c1cc2cc(CN3CCC[C@H]([NH3+])CC3)ccc2[nH]1 ZINC001205124440 800300822 /nfs/dbraw/zinc/30/08/22/800300822.db2.gz RMRUWFXFWBCZMR-AWEZNQCLSA-N 1 3 301.390 2.268 20 0 DEADHO C[C@]1([NH3+])CCCN(Cc2cccc(CN3CCOCC3)c2)CC1 ZINC001205273846 800334328 /nfs/dbraw/zinc/33/43/28/800334328.db2.gz QDEQWSXYEFKDFC-IBGZPJMESA-N 1 3 317.477 2.222 20 0 DEADHO CC[C@H](C)C[NH2+]CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001205469771 800361252 /nfs/dbraw/zinc/36/12/52/800361252.db2.gz XERWUMHQUWKHBL-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO [NH3+]C[C@]1(O)CCCCN(Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001205681715 800400689 /nfs/dbraw/zinc/40/06/89/800400689.db2.gz MOHZOFJSBWAFGU-MRXNPFEDSA-N 1 3 307.825 2.497 20 0 DEADHO NC[C@]1(O)CCCC[N@H+](Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001205681715 800400695 /nfs/dbraw/zinc/40/06/95/800400695.db2.gz MOHZOFJSBWAFGU-MRXNPFEDSA-N 1 3 307.825 2.497 20 0 DEADHO NC[C@]1(O)CCCC[N@@H+](Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001205681715 800400700 /nfs/dbraw/zinc/40/07/00/800400700.db2.gz MOHZOFJSBWAFGU-MRXNPFEDSA-N 1 3 307.825 2.497 20 0 DEADHO NC[C@]1(O)CCCC[N@H+](Cc2ccccc2-c2ccncc2)C1 ZINC001205726617 800409717 /nfs/dbraw/zinc/40/97/17/800409717.db2.gz VJHKGSMPTUIKMZ-LJQANCHMSA-N 1 3 311.429 2.424 20 0 DEADHO NC[C@]1(O)CCCC[N@@H+](Cc2ccccc2-c2ccncc2)C1 ZINC001205726617 800409721 /nfs/dbraw/zinc/40/97/21/800409721.db2.gz VJHKGSMPTUIKMZ-LJQANCHMSA-N 1 3 311.429 2.424 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC(C[NH2+]C/C=C\Cl)CC1 ZINC001206273883 800500181 /nfs/dbraw/zinc/50/01/81/800500181.db2.gz CEXZAXAVEZVYPY-UMSKNGNOSA-N 1 3 313.873 2.051 20 0 DEADHO CC(C)CC[NH2+]CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001206275140 800500308 /nfs/dbraw/zinc/50/03/08/800500308.db2.gz OFJVIRXUEFQLOO-MRXNPFEDSA-N 1 3 309.498 2.203 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC(C[NH2+]CCCC2CCC2)CC1 ZINC001206411532 800527079 /nfs/dbraw/zinc/52/70/79/800527079.db2.gz UFISCWHTPCCOBB-UHFFFAOYSA-N 1 3 318.465 2.361 20 0 DEADHO [NH3+]C[C@H]1CN(Cc2ccccc2-c2ccc(F)cc2)C[C@@H]1O ZINC001206530890 800548489 /nfs/dbraw/zinc/54/84/89/800548489.db2.gz VAWDFLRAPZLDID-YJBOKZPZSA-N 1 3 300.377 2.244 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[NH2+]CCCF)CC1 ZINC001206952355 800640234 /nfs/dbraw/zinc/64/02/34/800640234.db2.gz LSOXCNSKYAMXTN-INIZCTEOSA-N 1 3 313.461 2.049 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000935963515 800814035 /nfs/dbraw/zinc/81/40/35/800814035.db2.gz OSQDQHJPNVVNSH-QGZVFWFLSA-N 1 3 321.465 2.433 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000935963515 800814044 /nfs/dbraw/zinc/81/40/44/800814044.db2.gz OSQDQHJPNVVNSH-QGZVFWFLSA-N 1 3 321.465 2.433 20 0 DEADHO CC[N@H+]1C[C@H]2CN(CCC3CN(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC001207772109 800828941 /nfs/dbraw/zinc/82/89/41/800828941.db2.gz ANWZJWQWSQVUDN-IYBDPMFKSA-N 1 3 323.481 2.127 20 0 DEADHO CC[N@@H+]1C[C@H]2CN(CCC3CN(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC001207772109 800828947 /nfs/dbraw/zinc/82/89/47/800828947.db2.gz ANWZJWQWSQVUDN-IYBDPMFKSA-N 1 3 323.481 2.127 20 0 DEADHO CN(C)CC1(C[N@@H+]2CC[C@@H](Oc3cnccn3)C2)CCCC1 ZINC001208188140 800926563 /nfs/dbraw/zinc/92/65/63/800926563.db2.gz GNVOPHFVEQRRSE-OAHLLOKOSA-N 1 3 304.438 2.052 20 0 DEADHO CN(C)CC1(C[N@H+]2CC[C@@H](Oc3cnccn3)C2)CCCC1 ZINC001208188140 800926567 /nfs/dbraw/zinc/92/65/67/800926567.db2.gz GNVOPHFVEQRRSE-OAHLLOKOSA-N 1 3 304.438 2.052 20 0 DEADHO CN(C)CC1(C[N@@H+]2CC[C@H](Oc3cnccn3)C2)CCCC1 ZINC001208188138 800926885 /nfs/dbraw/zinc/92/68/85/800926885.db2.gz GNVOPHFVEQRRSE-HNNXBMFYSA-N 1 3 304.438 2.052 20 0 DEADHO CN(C)CC1(C[N@H+]2CC[C@H](Oc3cnccn3)C2)CCCC1 ZINC001208188138 800926892 /nfs/dbraw/zinc/92/68/92/800926892.db2.gz GNVOPHFVEQRRSE-HNNXBMFYSA-N 1 3 304.438 2.052 20 0 DEADHO CN(C)CC1(C[NH+]2CCC(Oc3cnccn3)CC2)CCCC1 ZINC001208188356 800927133 /nfs/dbraw/zinc/92/71/33/800927133.db2.gz YOPDKASNYBVFFN-UHFFFAOYSA-N 1 3 318.465 2.442 20 0 DEADHO CN(C)CC1(C[N@@H+]2CC[C@@H](Oc3ncccn3)C2)CCCC1 ZINC001208188244 800927197 /nfs/dbraw/zinc/92/71/97/800927197.db2.gz IGQKXJGXDOUCGA-OAHLLOKOSA-N 1 3 304.438 2.052 20 0 DEADHO CN(C)CC1(C[N@H+]2CC[C@@H](Oc3ncccn3)C2)CCCC1 ZINC001208188244 800927204 /nfs/dbraw/zinc/92/72/04/800927204.db2.gz IGQKXJGXDOUCGA-OAHLLOKOSA-N 1 3 304.438 2.052 20 0 DEADHO C[N@@H+]1CCC[C@@H](CN2CCC3(CC2)OC(=O)c2ccccc23)C1 ZINC001208610144 801030867 /nfs/dbraw/zinc/03/08/67/801030867.db2.gz YWOLBRBYMAOILU-OAHLLOKOSA-N 1 3 314.429 2.490 20 0 DEADHO C[N@H+]1CCC[C@@H](CN2CCC3(CC2)OC(=O)c2ccccc23)C1 ZINC001208610144 801030871 /nfs/dbraw/zinc/03/08/71/801030871.db2.gz YWOLBRBYMAOILU-OAHLLOKOSA-N 1 3 314.429 2.490 20 0 DEADHO C[N@@H+]1CCC[C@@H](CN2CCC(NC(=O)C3CCCCC3)CC2)C1 ZINC001208616729 801035813 /nfs/dbraw/zinc/03/58/13/801035813.db2.gz LJCFFEWTVNGNLI-MRXNPFEDSA-N 1 3 321.509 2.489 20 0 DEADHO C[N@H+]1CCC[C@@H](CN2CCC(NC(=O)C3CCCCC3)CC2)C1 ZINC001208616729 801035818 /nfs/dbraw/zinc/03/58/18/801035818.db2.gz LJCFFEWTVNGNLI-MRXNPFEDSA-N 1 3 321.509 2.489 20 0 DEADHO COC(=O)[C@H](C)CN1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001208713433 801052214 /nfs/dbraw/zinc/05/22/14/801052214.db2.gz PQEVZXJYGLYTRQ-NJAFHUGGSA-N 1 3 316.445 2.168 20 0 DEADHO COc1ccc(CC[N@@H+]2CC[C@@]3(CCN(C)C3)C2)cc1OC ZINC001208759996 801063912 /nfs/dbraw/zinc/06/39/12/801063912.db2.gz CTGUKEFXHIPXFW-GOSISDBHSA-N 1 3 304.434 2.274 20 0 DEADHO COc1ccc(CC[N@H+]2CC[C@@]3(CCN(C)C3)C2)cc1OC ZINC001208759996 801063920 /nfs/dbraw/zinc/06/39/20/801063920.db2.gz CTGUKEFXHIPXFW-GOSISDBHSA-N 1 3 304.434 2.274 20 0 DEADHO C[NH+](C)CCC(=O)N1CCC[C@@H](NCc2ccccc2Cl)C1 ZINC001209447378 801192969 /nfs/dbraw/zinc/19/29/69/801192969.db2.gz ZMSVQTBSHJJTAK-OAHLLOKOSA-N 1 3 323.868 2.372 20 0 DEADHO CN(C)C(=O)[C@H]1CC12CC[NH+](CCCN1CCCCC1)CC2 ZINC001209451426 801193880 /nfs/dbraw/zinc/19/38/80/801193880.db2.gz WVUZQTNWUQJAKX-MRXNPFEDSA-N 1 3 307.482 2.053 20 0 DEADHO CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001209631952 801239049 /nfs/dbraw/zinc/23/90/49/801239049.db2.gz IWGOSPMGAIXLGB-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CCCCCF)C1 ZINC001209631666 801239240 /nfs/dbraw/zinc/23/92/40/801239240.db2.gz HOEWUGCSTNWXRV-CVEARBPZSA-N 1 3 313.461 2.191 20 0 DEADHO C[C@@H](F)CC[NH2+][C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001209690050 801256081 /nfs/dbraw/zinc/25/60/81/801256081.db2.gz NYALECCEWGBEBE-HUUCEWRRSA-N 1 3 315.477 2.293 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]([NH2+]C/C=C/Cl)C1)CC(C)(C)C ZINC001209690552 801256149 /nfs/dbraw/zinc/25/61/49/801256149.db2.gz RRGBAFNWUNLHHF-IZPAUZPXSA-N 1 3 315.889 2.297 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001210229211 801353534 /nfs/dbraw/zinc/35/35/34/801353534.db2.gz NWOGPQFQYGJVMT-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001210229210 801354900 /nfs/dbraw/zinc/35/49/00/801354900.db2.gz NWOGPQFQYGJVMT-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CCCN(C)CC(=O)NCCC[N@H+](Cc1cccnc1)C(C)C ZINC001230905709 801527601 /nfs/dbraw/zinc/52/76/01/801527601.db2.gz LLWHZGHGIWBLGS-UHFFFAOYSA-N 1 3 320.481 2.140 20 0 DEADHO CCCN(C)CC(=O)NCCC[N@@H+](Cc1cccnc1)C(C)C ZINC001230905709 801527606 /nfs/dbraw/zinc/52/76/06/801527606.db2.gz LLWHZGHGIWBLGS-UHFFFAOYSA-N 1 3 320.481 2.140 20 0 DEADHO CCC(CC)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847523 801766158 /nfs/dbraw/zinc/76/61/58/801766158.db2.gz IDOMJEAHJTYGJX-GDBMZVCRSA-N 1 3 309.498 2.343 20 0 DEADHO COC(=O)c1ccc(CN(C)CC2CC[NH+](C(C)C)CC2)[nH]1 ZINC001232076855 801786870 /nfs/dbraw/zinc/78/68/70/801786870.db2.gz QNIAWEKZFLBHBR-UHFFFAOYSA-N 1 3 307.438 2.354 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CCCCCF ZINC001215540626 801873127 /nfs/dbraw/zinc/87/31/27/801873127.db2.gz OIDJPPPAGAPODQ-OWCLPIDISA-N 1 3 313.461 2.047 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001215993886 801924599 /nfs/dbraw/zinc/92/45/99/801924599.db2.gz GUWFMZBZJOATER-SJLPKXTDSA-N 1 3 317.477 2.273 20 0 DEADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1[NH2+]CCCF ZINC001216841360 802032596 /nfs/dbraw/zinc/03/25/96/802032596.db2.gz XUCAJCGDXJMKAI-RHSMWYFYSA-N 1 3 321.440 2.158 20 0 DEADHO c1ccc2c(c1)CNC[C@H]2OC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001217940392 802121433 /nfs/dbraw/zinc/12/14/33/802121433.db2.gz FGUMWXBPQJGVEW-SJLPKXTDSA-N 1 3 316.445 2.396 20 0 DEADHO Nc1ccccc1N(C(=O)[C@@H](N)CCCC[NH3+])c1ccccc1 ZINC001218836024 802248251 /nfs/dbraw/zinc/24/82/51/802248251.db2.gz VSECTSPNTYYNSK-INIZCTEOSA-N 1 3 312.417 2.390 20 0 DEADHO N[C@@H](CCCC[NH3+])C(=O)Nc1ccc2sc(Cl)nc2c1 ZINC001218901782 802256046 /nfs/dbraw/zinc/25/60/46/802256046.db2.gz OEASCBFSXYJCOC-VIFPVBQESA-N 1 3 312.826 2.345 20 0 DEADHO O=C(Cc1ccc2c(c1)C[NH2+]CC2)Nc1cccc2c1CNC2 ZINC001218995080 802272358 /nfs/dbraw/zinc/27/23/58/802272358.db2.gz SEPYCODDFHSPQP-UHFFFAOYSA-N 1 3 307.397 2.117 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc(C(=O)C2CC2)cc1 ZINC001219404927 802325329 /nfs/dbraw/zinc/32/53/29/802325329.db2.gz KAUADIPJFIDSCP-INIZCTEOSA-N 1 3 317.433 2.277 20 0 DEADHO C[C@@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)C12CC3CC(CC(C3)C1)C2 ZINC001219997083 802400040 /nfs/dbraw/zinc/40/00/40/802400040.db2.gz LLCVAFANKGJIGT-WPVXRUBYSA-N 1 3 319.493 2.034 20 0 DEADHO CCc1ccc(CN(CC[NH3+])C(=O)[C@@H](N)CC2CCCC2)cc1 ZINC001220904920 802511361 /nfs/dbraw/zinc/51/13/61/802511361.db2.gz IPCWLRMTOURSLB-SFHVURJKSA-N 1 3 317.477 2.444 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NC[C@H]1CCCC(F)(F)C1 ZINC001221162309 802533661 /nfs/dbraw/zinc/53/36/61/802533661.db2.gz RMZPNFDYZPQJHA-KBPBESRZSA-N 1 3 319.440 2.424 20 0 DEADHO Cc1cccc(CN2CCNC3(CC[NH2+]CC3)C2)c1OC(C)C ZINC001222099406 802642183 /nfs/dbraw/zinc/64/21/83/802642183.db2.gz FRBABSCGDZBVNY-UHFFFAOYSA-N 1 3 317.477 2.310 20 0 DEADHO CCCCC[NH+]1CCC(CNC(=O)CN2CCC[C@H]2C)CC1 ZINC001224538174 802880112 /nfs/dbraw/zinc/88/01/12/802880112.db2.gz UGXYXFWXBDSZSH-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CCCN(C)CC(=O)NCC1CC[NH+](CCCCCF)CC1 ZINC001225251304 802947678 /nfs/dbraw/zinc/94/76/78/802947678.db2.gz BKIGLMVLYFDSCX-UHFFFAOYSA-N 1 3 315.477 2.296 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NC1CC[NH+](CC=C(C)C)CC1 ZINC001227618263 803261296 /nfs/dbraw/zinc/26/12/96/803261296.db2.gz DFFLYDWFVIJXRY-MRXNPFEDSA-N 1 3 313.461 2.213 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CCN(C/C=C\Cl)C1)[NH+](CC)CC ZINC001418676038 1167878596 /nfs/dbraw/zinc/87/85/96/1167878596.db2.gz WCAUZEKFBMXKSC-UEDYQVLESA-N 1 3 315.889 2.297 20 0 DEADHO CC(C)[C@@H]1CC(=O)N(CN2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)C1 ZINC001335253903 1150390507 /nfs/dbraw/zinc/39/05/07/1150390507.db2.gz PZEKGVRWQQONPC-YVSFHVDLSA-N 1 3 307.482 2.111 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CCC2CC2)C1)N(C)C ZINC001370304334 1149506937 /nfs/dbraw/zinc/50/69/37/1149506937.db2.gz PBCCHOGBVDZQER-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H](C[N@H+](C)CCC2CC2)C1)N(C)C ZINC001370304334 1149506918 /nfs/dbraw/zinc/50/69/18/1149506918.db2.gz PBCCHOGBVDZQER-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CCCC[N@H+](CC)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001420423389 1169522892 /nfs/dbraw/zinc/52/28/92/1169522892.db2.gz PJHIJHHNHSJTSR-KRWDZBQOSA-N 1 3 315.477 2.437 20 0 DEADHO CCCC[N@@H+](CC)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001420423389 1169522899 /nfs/dbraw/zinc/52/28/99/1169522899.db2.gz PJHIJHHNHSJTSR-KRWDZBQOSA-N 1 3 315.477 2.437 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[N@H+](CC(C)C)CCC1(F)F)N(C)C ZINC001368239824 1148400521 /nfs/dbraw/zinc/40/05/21/1148400521.db2.gz KFXUGKHXJGHJNP-UONOGXRCSA-N 1 3 319.440 2.056 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCC1(F)F)N(C)C ZINC001368239824 1148400528 /nfs/dbraw/zinc/40/05/28/1148400528.db2.gz KFXUGKHXJGHJNP-UONOGXRCSA-N 1 3 319.440 2.056 20 0 DEADHO CC[N@@H+]1CCc2c(CNC(=O)[C@H](C(C)C)N(C)C)cccc2C1 ZINC001368451136 1148449453 /nfs/dbraw/zinc/44/94/53/1148449453.db2.gz VADHQRSYSXWUGH-SFHVURJKSA-N 1 3 317.477 2.267 20 0 DEADHO CC[N@H+]1CCc2c(CNC(=O)[C@H](C(C)C)N(C)C)cccc2C1 ZINC001368451136 1148449456 /nfs/dbraw/zinc/44/94/56/1148449456.db2.gz VADHQRSYSXWUGH-SFHVURJKSA-N 1 3 317.477 2.267 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@H]1CC[N@@H+](CC2CCC2)C1)N(C)C ZINC001404513740 1163691187 /nfs/dbraw/zinc/69/11/87/1163691187.db2.gz KUUXAUOHXJOAPY-DLBZAZTESA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)(C(=O)NCc1cccc2c1CC[NH2+]C2)N1CCCCC1 ZINC001575092658 1069363260 /nfs/dbraw/zinc/36/32/60/1069363260.db2.gz TYFVZYRSONDZCK-UHFFFAOYSA-N 1 3 315.461 2.213 20 0 DEADHO CC(C)(C)OC(=O)NCC1(CC[NH2+]CC23CC(C2)CN3)CC1 ZINC001575218182 1069393479 /nfs/dbraw/zinc/39/34/79/1069393479.db2.gz IWWLIARQGXLMAF-UHFFFAOYSA-N 1 3 309.454 2.023 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(C)c2)C1)N(C)C ZINC001368498526 1148468207 /nfs/dbraw/zinc/46/82/07/1148468207.db2.gz OEVLNEHVDZFVTJ-FGTMMUONSA-N 1 3 317.477 2.320 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CCc1ccccc1F)N(C)C ZINC001368987065 1148818615 /nfs/dbraw/zinc/81/86/15/1148818615.db2.gz JWLBXZNCCXSYHN-PBHICJAKSA-N 1 3 323.456 2.145 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CCc1ccccc1F)N(C)C ZINC001368987065 1148818614 /nfs/dbraw/zinc/81/86/14/1148818614.db2.gz JWLBXZNCCXSYHN-PBHICJAKSA-N 1 3 323.456 2.145 20 0 DEADHO C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)NCC=C(Cl)Cl ZINC001368889455 1148749589 /nfs/dbraw/zinc/74/95/89/1148749589.db2.gz XASWYCCONUNZRP-WDEREUQCSA-N 1 3 310.269 2.130 20 0 DEADHO Cc1ccc(F)cc1CN(C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001369011962 1148828163 /nfs/dbraw/zinc/82/81/63/1148828163.db2.gz XWRYXVHFIOXMJD-CABCVRRESA-N 1 3 321.440 2.022 20 0 DEADHO Cc1ccc(F)cc1CN(C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001369011962 1148828168 /nfs/dbraw/zinc/82/81/68/1148828168.db2.gz XWRYXVHFIOXMJD-CABCVRRESA-N 1 3 321.440 2.022 20 0 DEADHO Cc1ncccc1C[N@@H+](C)CCCN(C)C(=O)CN(C)C(C)C ZINC001368567146 1148500795 /nfs/dbraw/zinc/50/07/95/1148500795.db2.gz MLWHGKQWZWTNAT-UHFFFAOYSA-N 1 3 320.481 2.011 20 0 DEADHO Cc1ncccc1C[N@H+](C)CCCN(C)C(=O)CN(C)C(C)C ZINC001368567146 1148500799 /nfs/dbraw/zinc/50/07/99/1148500799.db2.gz MLWHGKQWZWTNAT-UHFFFAOYSA-N 1 3 320.481 2.011 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)CN(C)C2CCC2)C1 ZINC001500501596 1058856835 /nfs/dbraw/zinc/85/68/35/1058856835.db2.gz CQCCIZPSPDWKJC-SFHVURJKSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@](C)(CNC(=O)CN(C)C2CCC2)C1 ZINC001500501596 1058856867 /nfs/dbraw/zinc/85/68/67/1058856867.db2.gz CQCCIZPSPDWKJC-SFHVURJKSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001502125418 1059965843 /nfs/dbraw/zinc/96/58/43/1059965843.db2.gz BZQSQVQHGYAJFL-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C)C[N@H+]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001502125418 1059965863 /nfs/dbraw/zinc/96/58/63/1059965863.db2.gz BZQSQVQHGYAJFL-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)=CC[N@@H+](C)CCCN(C)C(=O)CN1CCC(C)CC1 ZINC001502385305 1060100611 /nfs/dbraw/zinc/10/06/11/1060100611.db2.gz PNPPZVOWAPHAMO-UHFFFAOYSA-N 1 3 309.498 2.465 20 0 DEADHO CC(C)=CC[N@H+](C)CCCN(C)C(=O)CN1CCC(C)CC1 ZINC001502385305 1060100621 /nfs/dbraw/zinc/10/06/21/1060100621.db2.gz PNPPZVOWAPHAMO-UHFFFAOYSA-N 1 3 309.498 2.465 20 0 DEADHO CCOC(=O)[C@@]1(F)CN(CC2CC[NH+](CC)CC2)C[C@@H]1CC ZINC001474707021 1060921027 /nfs/dbraw/zinc/92/10/27/1060921027.db2.gz WAAWJGFKQJAKCZ-DOTOQJQBSA-N 1 3 314.445 2.332 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)[N@H+](C)CC1CCCC1 ZINC001505975930 1061196883 /nfs/dbraw/zinc/19/68/83/1061196883.db2.gz BHIDODVLOWLAHB-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)[N@@H+](C)CC1CCCC1 ZINC001505975930 1061196889 /nfs/dbraw/zinc/19/68/89/1061196889.db2.gz BHIDODVLOWLAHB-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC[C@@H]1CC=CCC1 ZINC001478957380 1061277091 /nfs/dbraw/zinc/27/70/91/1061277091.db2.gz PQNTYXFRLLATFI-DLBZAZTESA-N 1 3 324.513 2.304 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC[C@@H]1CC=CCC1 ZINC001478957380 1061277112 /nfs/dbraw/zinc/27/71/12/1061277112.db2.gz PQNTYXFRLLATFI-DLBZAZTESA-N 1 3 324.513 2.304 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2C[C@H](CNC(=O)CN(C)C(C)C)C2)c1 ZINC001479415170 1061447244 /nfs/dbraw/zinc/44/72/44/1061447244.db2.gz ABHDNJWVXQOSFQ-IYARVYRRSA-N 1 3 317.477 2.320 20 0 DEADHO CN(CC(=O)N1CCCCC[C@H]([NH2+]CCCF)C1)C1CCC1 ZINC001479688816 1061603411 /nfs/dbraw/zinc/60/34/11/1061603411.db2.gz VKRKQKUVWKMVCR-HNNXBMFYSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)CC[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001479691645 1061606552 /nfs/dbraw/zinc/60/65/52/1061606552.db2.gz CXYFJQOFXLMTCH-OAHLLOKOSA-N 1 3 306.454 2.359 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CCN(CCCF)[C@@H]1C)[NH+]1CCCC1 ZINC001479730044 1061648155 /nfs/dbraw/zinc/64/81/55/1061648155.db2.gz SEDWYKMAXKQIJI-PMPSAXMXSA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCCF)[C@@H]1C)N1CCCC1 ZINC001479730044 1061648161 /nfs/dbraw/zinc/64/81/61/1061648161.db2.gz SEDWYKMAXKQIJI-PMPSAXMXSA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CCCF)[C@@H]1C)N1CCCC1 ZINC001479730044 1061648170 /nfs/dbraw/zinc/64/81/70/1061648170.db2.gz SEDWYKMAXKQIJI-PMPSAXMXSA-N 1 3 313.461 2.045 20 0 DEADHO CC[C@H](C(=O)NC1(C[NH2+]C[C@@H](F)CC)CCCCC1)N(C)C ZINC001506521650 1062075780 /nfs/dbraw/zinc/07/57/80/1062075780.db2.gz GMKVBORXQVEYBP-LSDHHAIUSA-N 1 3 315.477 2.483 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001480173397 1062424125 /nfs/dbraw/zinc/42/41/25/1062424125.db2.gz HWTNFNSVZLHMJA-KKUMJFAQSA-N 1 3 321.440 2.464 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)CNC(=O)CN(C)C(C)C ZINC001480597343 1063090890 /nfs/dbraw/zinc/09/08/90/1063090890.db2.gz PJXAGFXTWIPTSO-HOTGVXAUSA-N 1 3 305.466 2.491 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]Cc2ccsc2)C(C)(C)C1 ZINC001507454184 1063305422 /nfs/dbraw/zinc/30/54/22/1063305422.db2.gz TYIALIIFASWISS-HNNXBMFYSA-N 1 3 323.506 2.415 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[C@@H]1CCC[N@H+]1CC(C)C ZINC001480834107 1063427181 /nfs/dbraw/zinc/42/71/81/1063427181.db2.gz IXCUDWUWPKVXQT-OAHLLOKOSA-N 1 3 306.454 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[C@@H]1CCC[N@@H+]1CC(C)C ZINC001480834107 1063427204 /nfs/dbraw/zinc/42/72/04/1063427204.db2.gz IXCUDWUWPKVXQT-OAHLLOKOSA-N 1 3 306.454 2.277 20 0 DEADHO C[C@H](F)CC[NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C(C)(C)C ZINC001507952210 1063478165 /nfs/dbraw/zinc/47/81/65/1063478165.db2.gz PBDWQDGONQODLC-KBPBESRZSA-N 1 3 315.477 2.339 20 0 DEADHO CN(CC[NH2+]Cc1cc2ccccc2o1)C(=O)[C@H]1CCCN1C ZINC001493501404 1063835615 /nfs/dbraw/zinc/83/56/15/1063835615.db2.gz UOMOTRDPZDEREZ-MRXNPFEDSA-N 1 3 315.417 2.075 20 0 DEADHO Cc1ccc(C[NH2+]CCN(C)C(=O)CN2CC[C@@H](C)C2)cc1F ZINC001493694388 1063922533 /nfs/dbraw/zinc/92/25/33/1063922533.db2.gz DMIBNAMZJUIOJO-CQSZACIVSA-N 1 3 321.440 2.024 20 0 DEADHO CC[C@H](C)C[N@H+](C)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001494206540 1064173112 /nfs/dbraw/zinc/17/31/12/1064173112.db2.gz ZTCRKLKNFIQTQE-AWEZNQCLSA-N 1 3 306.454 2.169 20 0 DEADHO CC[C@H](C)C[N@@H+](C)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001494206540 1064173121 /nfs/dbraw/zinc/17/31/21/1064173121.db2.gz ZTCRKLKNFIQTQE-AWEZNQCLSA-N 1 3 306.454 2.169 20 0 DEADHO CC[C@H](C(=O)N(C)CC[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001567515893 1064233361 /nfs/dbraw/zinc/23/33/61/1064233361.db2.gz CAAWQQKBMAXBTN-CQSZACIVSA-N 1 3 319.440 2.200 20 0 DEADHO CCCN(C)CC(=O)N1CCC(CC[NH2+]C/C=C/Cl)CC1 ZINC001568098844 1064646715 /nfs/dbraw/zinc/64/67/15/1064646715.db2.gz ONMLUEGOYQEUFO-XBXARRHUSA-N 1 3 315.889 2.299 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CCc1cccs1 ZINC001568175571 1064682949 /nfs/dbraw/zinc/68/29/49/1064682949.db2.gz HWXFPILAOFTRFT-AWEZNQCLSA-N 1 3 323.506 2.117 20 0 DEADHO CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001568366315 1064810275 /nfs/dbraw/zinc/81/02/75/1064810275.db2.gz VWSJFBBHCBRKPF-WIJLQKJISA-N 1 3 304.438 2.135 20 0 DEADHO C[C@@H](CC[NH2+]CC1CC2(CCC2)C1)NC(=O)CN1CC[C@H](C)C1 ZINC001568677764 1065043989 /nfs/dbraw/zinc/04/39/89/1065043989.db2.gz GEPHCAALGOMCDC-HOTGVXAUSA-N 1 3 321.509 2.393 20 0 DEADHO C[C@@H](C[NH2+]Cc1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CCCN1C ZINC001496028438 1065234758 /nfs/dbraw/zinc/23/47/58/1065234758.db2.gz QHUFPUCXPTUKDX-BBRMVZONSA-N 1 3 323.868 2.371 20 0 DEADHO Cc1ccc(F)c(C[NH2+]C[C@H](C)N(C)C(=O)CN2CCCC2)c1 ZINC001496228689 1065350269 /nfs/dbraw/zinc/35/02/69/1065350269.db2.gz BPEDJIXBHZYEJA-HNNXBMFYSA-N 1 3 321.440 2.166 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1[NH2+]CC1CC1 ZINC001496361625 1065427669 /nfs/dbraw/zinc/42/76/69/1065427669.db2.gz WFZDAMXARPWAJX-HOCLYGCPSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2CC[NH2+]CC2CCC2)C1 ZINC001496410791 1065453118 /nfs/dbraw/zinc/45/31/18/1065453118.db2.gz DXYZUXCOBQLUND-WMZOPIPTSA-N 1 3 321.509 2.489 20 0 DEADHO CN(CC(=O)N1CCCC[C@@H]1CC[NH2+]CCF)CC(C)(C)C ZINC001496412754 1065455786 /nfs/dbraw/zinc/45/57/86/1065455786.db2.gz WMJQUSTWZFZKHH-OAHLLOKOSA-N 1 3 315.477 2.295 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CC1CCC1 ZINC001496483810 1065502137 /nfs/dbraw/zinc/50/21/37/1065502137.db2.gz AFSCWLPPKARCKY-RDJZCZTQSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001569823824 1065744293 /nfs/dbraw/zinc/74/42/93/1065744293.db2.gz KDLFAGWHTKAOBN-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CCCC1CCC1 ZINC001569849597 1065764708 /nfs/dbraw/zinc/76/47/08/1065764708.db2.gz YOAOUUVSZQCSEV-HOCLYGCPSA-N 1 3 318.465 2.217 20 0 DEADHO CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CCCN2C(C)C)CCC1 ZINC001570103708 1065924987 /nfs/dbraw/zinc/92/49/87/1065924987.db2.gz DZWGSAUXNIKCOX-INIZCTEOSA-N 1 3 307.482 2.454 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(CN)n(C)c1C ZINC001577457983 1066847593 /nfs/dbraw/zinc/84/75/93/1066847593.db2.gz MTGCNTHFPGZKBW-OAHLLOKOSA-N 1 3 320.481 2.177 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(CN)n(C)c1C ZINC001577457983 1066847600 /nfs/dbraw/zinc/84/76/00/1066847600.db2.gz MTGCNTHFPGZKBW-OAHLLOKOSA-N 1 3 320.481 2.177 20 0 DEADHO CC[NH+](CC)Cc1ccc(C(=O)N2CCN[C@@H](C)[C@H]2C)cc1 ZINC001577693233 1066907417 /nfs/dbraw/zinc/90/74/17/1066907417.db2.gz PHWTZNBSNRIRAN-LSDHHAIUSA-N 1 3 303.450 2.351 20 0 DEADHO CN(C)[C@H](CNC(=O)C1(C2CC[NH2+]CC2)CC1)c1ccccc1 ZINC001578406267 1067086854 /nfs/dbraw/zinc/08/68/54/1067086854.db2.gz NNIJEVOPYPYRJG-QGZVFWFLSA-N 1 3 315.461 2.185 20 0 DEADHO CNC[C@@H](O)C[NH2+][C@@H](COc1c(C)cccc1C)C(C)(C)C ZINC001578654006 1067144488 /nfs/dbraw/zinc/14/44/88/1067144488.db2.gz GSYVLMUTMKLGPB-CVEARBPZSA-N 1 3 308.466 2.267 20 0 DEADHO C[NH2+]C[C@@H]1CCN(C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)C1 ZINC001578663524 1067146236 /nfs/dbraw/zinc/14/62/36/1067146236.db2.gz CXJJGJQQFSACQQ-QLFBSQMISA-N 1 3 311.470 2.031 20 0 DEADHO CCc1cccc(CN(C)C[C@@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001483381167 1078493935 /nfs/dbraw/zinc/49/39/35/1078493935.db2.gz HHOJJHIRNKLRGR-OAHLLOKOSA-N 1 3 305.466 2.137 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CC2CCCCC2)CC1 ZINC001499433574 1067218740 /nfs/dbraw/zinc/21/87/40/1067218740.db2.gz XQXMGNVDZPFREL-UHFFFAOYSA-N 1 3 304.438 2.079 20 0 DEADHO COc1cc(OC)c(C[C@@H](C)NC[C@@]2(C)CC[NH2+]C2)c(OC)c1 ZINC001579170625 1067249144 /nfs/dbraw/zinc/24/91/44/1067249144.db2.gz ZLKMRCDBZWVWQR-ACJLOTCBSA-N 1 3 322.449 2.233 20 0 DEADHO Cc1c(C[C@H](CN)C[NH2+]C[C@@H]2CCCCC2(F)F)cnn1C ZINC001579530847 1067363131 /nfs/dbraw/zinc/36/31/31/1067363131.db2.gz YYZUQXFHVWQUFT-HIFRSBDPSA-N 1 3 314.424 2.261 20 0 DEADHO Cc1c(C[C@H](C[NH3+])CNC[C@@H]2CCCCC2(F)F)cnn1C ZINC001579530847 1067363141 /nfs/dbraw/zinc/36/31/41/1067363141.db2.gz YYZUQXFHVWQUFT-HIFRSBDPSA-N 1 3 314.424 2.261 20 0 DEADHO Cc1ccccc1[C@H]([NH3+])C(=O)NCCCCc1ccnc(N)c1 ZINC001579793997 1067424069 /nfs/dbraw/zinc/42/40/69/1067424069.db2.gz RMEXSTVZLFBWEW-KRWDZBQOSA-N 1 3 312.417 2.111 20 0 DEADHO NCC1(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)CCC1 ZINC001580244050 1067536644 /nfs/dbraw/zinc/53/66/44/1067536644.db2.gz NXWBPPXODGCSJP-UHFFFAOYSA-N 1 3 319.424 2.149 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCc1nc(-c2ccccc2)no1 ZINC001580262415 1067546003 /nfs/dbraw/zinc/54/60/03/1067546003.db2.gz ULPJWRFYKUNJOE-CABCVRRESA-N 1 3 300.406 2.386 20 0 DEADHO CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001267067220 1078542048 /nfs/dbraw/zinc/54/20/48/1078542048.db2.gz OLSDDTAPPYHISB-FNQZAJIHSA-N 1 3 309.498 2.367 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CCCCCF)C1)N(C)C ZINC001267114222 1078592005 /nfs/dbraw/zinc/59/20/05/1078592005.db2.gz YUUBLDYZHQHNBT-HZPDHXFCSA-N 1 3 315.477 2.389 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCCCCF)C1)N(C)C ZINC001267114222 1078592011 /nfs/dbraw/zinc/59/20/11/1078592011.db2.gz YUUBLDYZHQHNBT-HZPDHXFCSA-N 1 3 315.477 2.389 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)CC(C)(C)C[NH2+]CCCF ZINC001570690896 1068069006 /nfs/dbraw/zinc/06/90/06/1068069006.db2.gz HBIBBWQRZJSGTB-HUUCEWRRSA-N 1 3 315.477 2.293 20 0 DEADHO CCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN3CCC)[C@@H]2C1 ZINC001570932270 1068162319 /nfs/dbraw/zinc/16/23/19/1068162319.db2.gz RPOBCVHSQSXCLW-FJIDUMEYSA-N 1 3 321.509 2.345 20 0 DEADHO CCCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN3CCC)[C@@H]2C1 ZINC001570932270 1068162324 /nfs/dbraw/zinc/16/23/24/1068162324.db2.gz RPOBCVHSQSXCLW-FJIDUMEYSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)CCC[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001571157080 1068187882 /nfs/dbraw/zinc/18/78/82/1068187882.db2.gz HHMCYHSUECSKQC-BRWVUGGUSA-N 1 3 309.498 2.249 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]CC2=CCCCC2)C1 ZINC001571666107 1068469753 /nfs/dbraw/zinc/46/97/53/1068469753.db2.gz WTZICQMLNXISEC-UHFFFAOYSA-N 1 3 307.482 2.406 20 0 DEADHO CC[N@H+](C)CCC(=O)NCC1=CCN(Cc2ccccc2)CC1 ZINC001571698048 1068488504 /nfs/dbraw/zinc/48/85/04/1068488504.db2.gz UZCAZLCUECTFHT-UHFFFAOYSA-N 1 3 315.461 2.277 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCC1=CCN(Cc2ccccc2)CC1 ZINC001571698048 1068488508 /nfs/dbraw/zinc/48/85/08/1068488508.db2.gz UZCAZLCUECTFHT-UHFFFAOYSA-N 1 3 315.461 2.277 20 0 DEADHO CN(C)C1(C(=O)N(C)CC[NH2+]C/C=C/c2ccccc2)CCC1 ZINC001267383974 1078818019 /nfs/dbraw/zinc/81/80/19/1078818019.db2.gz GJCYUHHGOAYXQQ-YRNVUSSQSA-N 1 3 315.461 2.232 20 0 DEADHO CC[C@H]1CN(C(=O)NCC(C)(C)C[NH+]2CCCC2)[C@@H](CC)CN1 ZINC001573718583 1069078917 /nfs/dbraw/zinc/07/89/17/1069078917.db2.gz LKQXICCWIJRCFZ-HOTGVXAUSA-N 1 3 324.513 2.280 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCC(C)(C)C)C1 ZINC001272384855 1078844617 /nfs/dbraw/zinc/84/46/17/1078844617.db2.gz SPCKHEGVILNODG-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)CC[NH2+]Cc2ccc(CF)cc2)C1 ZINC001267428816 1078846231 /nfs/dbraw/zinc/84/62/31/1078846231.db2.gz CTHIRDGDQQAHEP-HNNXBMFYSA-N 1 3 321.440 2.046 20 0 DEADHO C[Si](C)(C[NH+]1CCN(c2ccncc2)CC1)c1ccccc1 ZINC001644944270 1078870085 /nfs/dbraw/zinc/87/00/85/1078870085.db2.gz PFAFRGGSAAVUKZ-UHFFFAOYSA-N 1 3 311.505 2.358 20 0 DEADHO CN(CCNCc1ccsc1)C(=O)CCC[NH+]1CCCC1 ZINC001267474046 1078894288 /nfs/dbraw/zinc/89/42/88/1078894288.db2.gz QXMWVYQFRMETHF-UHFFFAOYSA-N 1 3 309.479 2.172 20 0 DEADHO CC(C)N(CCF)CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001267511942 1078941893 /nfs/dbraw/zinc/94/18/93/1078941893.db2.gz ZLTCBGJYJFWZKM-CVEARBPZSA-N 1 3 315.477 2.293 20 0 DEADHO O=C([C@H]1CCCCN1C1CCCC1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001645814202 1079006339 /nfs/dbraw/zinc/00/63/39/1079006339.db2.gz WIVURMLNFCHILN-QZTJIDSGSA-N 1 3 319.493 2.480 20 0 DEADHO O=C([C@H]1CCCCN1C1CCCC1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001645814202 1079006348 /nfs/dbraw/zinc/00/63/48/1079006348.db2.gz WIVURMLNFCHILN-QZTJIDSGSA-N 1 3 319.493 2.480 20 0 DEADHO Cc1cccc(CN2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC001549882277 1073311923 /nfs/dbraw/zinc/31/19/23/1073311923.db2.gz TXSDSHHPHDOKAE-NJAFHUGGSA-N 1 3 315.461 2.026 20 0 DEADHO Cc1cccc(CN2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC001549882277 1073311926 /nfs/dbraw/zinc/31/19/26/1073311926.db2.gz TXSDSHHPHDOKAE-NJAFHUGGSA-N 1 3 315.461 2.026 20 0 DEADHO CN(C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1)[C@H]1CCN(C)C1 ZINC001550049049 1073395968 /nfs/dbraw/zinc/39/59/68/1073395968.db2.gz POTXMYLAKRPCDZ-IRXDYDNUSA-N 1 3 322.497 2.129 20 0 DEADHO CN(C(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1)[C@H]1CCN(C)C1 ZINC001550049049 1073395977 /nfs/dbraw/zinc/39/59/77/1073395977.db2.gz POTXMYLAKRPCDZ-IRXDYDNUSA-N 1 3 322.497 2.129 20 0 DEADHO CN(CC(=O)NCC1([NH2+]CCC(F)(F)F)CC1)CC(C)(C)C ZINC001483768383 1079093742 /nfs/dbraw/zinc/09/37/42/1079093742.db2.gz ZEZCCSAGBWYHIX-UHFFFAOYSA-N 1 3 323.403 2.155 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001550233119 1073524747 /nfs/dbraw/zinc/52/47/47/1073524747.db2.gz JKKBYGXOOITQKJ-SJLPKXTDSA-N 1 3 307.482 2.276 20 0 DEADHO CCn1cc([C@H](C)N[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@@H]2O)cn1 ZINC001550351252 1073608949 /nfs/dbraw/zinc/60/89/49/1073608949.db2.gz JQRKYCNIJXEMCS-JWYNJWGYSA-N 1 3 320.481 2.033 20 0 DEADHO CCn1cc([C@H](C)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@@H]2O)cn1 ZINC001550351252 1073608956 /nfs/dbraw/zinc/60/89/56/1073608956.db2.gz JQRKYCNIJXEMCS-JWYNJWGYSA-N 1 3 320.481 2.033 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3ccns3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550422764 1073646808 /nfs/dbraw/zinc/64/68/08/1073646808.db2.gz CSGVPKKNCQVBRV-UGUYLWEFSA-N 1 3 309.479 2.103 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3ccns3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550422764 1073646810 /nfs/dbraw/zinc/64/68/10/1073646810.db2.gz CSGVPKKNCQVBRV-UGUYLWEFSA-N 1 3 309.479 2.103 20 0 DEADHO CCCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001649696030 1079159149 /nfs/dbraw/zinc/15/91/49/1079159149.db2.gz AICZXKFBKMAYMH-SJORKVTESA-N 1 3 307.482 2.338 20 0 DEADHO COc1nccc(CN2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1F ZINC001551262319 1074139492 /nfs/dbraw/zinc/13/94/92/1074139492.db2.gz ROIUBDVNPWEXEX-NWANDNLSSA-N 1 3 307.413 2.391 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(Cc3cc4c(cn3)OCCO4)C[C@@H]2C1 ZINC001551263251 1074140275 /nfs/dbraw/zinc/14/02/75/1074140275.db2.gz UTZIXOSXBIRQAA-IJEWVQPXSA-N 1 3 317.433 2.015 20 0 DEADHO C[C@@H]1C[C@H](C[NH2+]C2CCC(C)(N3CCOCC3)CC2)CCO1 ZINC001551382886 1074198509 /nfs/dbraw/zinc/19/85/09/1074198509.db2.gz YFJFPDAZNKVXCQ-MRLCAUJQSA-N 1 3 310.482 2.425 20 0 DEADHO Cc1nn(C)cc1[C@H](C)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001551388645 1074200823 /nfs/dbraw/zinc/20/08/23/1074200823.db2.gz HKJXQKAICFHJFK-NXVRBGIVSA-N 1 3 320.481 2.413 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001551425179 1074213414 /nfs/dbraw/zinc/21/34/14/1074213414.db2.gz LKVNNQKLIXRAMF-QEOTZNIISA-N 1 3 307.482 2.048 20 0 DEADHO CC[C@@H](C)N[C@@H](CNC(=O)N1CCCC[C@H]1C[NH3+])c1ccco1 ZINC001646192812 1074368264 /nfs/dbraw/zinc/36/82/64/1074368264.db2.gz JNQPJQFDKZMSRH-ILXRZTDVSA-N 1 3 322.453 2.232 20 0 DEADHO CCC[C@H](C(=O)N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3)N(C)C ZINC001551869282 1074402129 /nfs/dbraw/zinc/40/21/29/1074402129.db2.gz BGAYTMYXUFCQFY-NXHRZFHOSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[C@H](C(=O)N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3)N(C)C ZINC001551869282 1074402132 /nfs/dbraw/zinc/40/21/32/1074402132.db2.gz BGAYTMYXUFCQFY-NXHRZFHOSA-N 1 3 307.482 2.051 20 0 DEADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1CCCC[NH2+]C1 ZINC001552413773 1074571680 /nfs/dbraw/zinc/57/16/80/1074571680.db2.gz BCUNSPCIZUDEBD-CABCVRRESA-N 1 3 321.490 2.391 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[NH2+]C2)CN1Cc1ccccc1 ZINC001552425156 1074573983 /nfs/dbraw/zinc/57/39/83/1074573983.db2.gz ZUYWGNHGVKSLDJ-NXHRZFHOSA-N 1 3 315.461 2.155 20 0 DEADHO CN(C)[C@@H]1CCC[N@H+](C[C@H]2CCCO[C@H]2c2cnn(C)c2)CC1 ZINC001552530366 1074600441 /nfs/dbraw/zinc/60/04/41/1074600441.db2.gz JJMOEBAWERUJRJ-KBAYOESNSA-N 1 3 320.481 2.304 20 0 DEADHO CN(C)[C@@H]1CCC[N@@H+](C[C@H]2CCCO[C@H]2c2cnn(C)c2)CC1 ZINC001552530366 1074600443 /nfs/dbraw/zinc/60/04/43/1074600443.db2.gz JJMOEBAWERUJRJ-KBAYOESNSA-N 1 3 320.481 2.304 20 0 DEADHO CC(C)=CC[NH2+]C[C@]1(C)CCN(C(=O)CN(C)C2CCC2)C1 ZINC001484098682 1079302202 /nfs/dbraw/zinc/30/22/02/1079302202.db2.gz YBKKVLAPIASLHL-SFHVURJKSA-N 1 3 307.482 2.265 20 0 DEADHO O=C(N1CCN(CC2CCCCC2)CC1)[C@@]12CCC[C@H]1[NH2+]CC2 ZINC001552831140 1074670957 /nfs/dbraw/zinc/67/09/57/1074670957.db2.gz QDWJWBQEQBCMLU-IEBWSBKVSA-N 1 3 319.493 2.243 20 0 DEADHO O=C(N1CCN(CC2CCCCC2)CC1)[C@]12CCC[C@@H]1[NH2+]CC2 ZINC001552831139 1074671181 /nfs/dbraw/zinc/67/11/81/1074671181.db2.gz QDWJWBQEQBCMLU-HKUYNNGSSA-N 1 3 319.493 2.243 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC001646931864 1074702956 /nfs/dbraw/zinc/70/29/56/1074702956.db2.gz OXHOENULMJTUKG-LSDHHAIUSA-N 1 3 312.502 2.136 20 0 DEADHO Cc1ncc2c(n1)CC[C@H](N[C@@H]1[C@@H]3CCC[NH2+][C@H]3C1(C)C)C2 ZINC001553023571 1074739062 /nfs/dbraw/zinc/73/90/62/1074739062.db2.gz BGEBCPUGHJITJX-XOSAIJSUSA-N 1 3 300.450 2.009 20 0 DEADHO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1[C@@H]3CCCN[C@H]3C1(C)C)C2 ZINC001553023571 1074739070 /nfs/dbraw/zinc/73/90/70/1074739070.db2.gz BGEBCPUGHJITJX-XOSAIJSUSA-N 1 3 300.450 2.009 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N(C)C[C@H](C)NC/C=C/Cl)CC1 ZINC001369279994 1148890319 /nfs/dbraw/zinc/89/03/19/1148890319.db2.gz BLMKYUOALGZFII-GPAKFWEMSA-N 1 3 315.889 2.296 20 0 DEADHO CCCN1CCCC[C@@H]1C(=O)NCc1ccc(C[NH3+])cc1F ZINC001647255821 1074859375 /nfs/dbraw/zinc/85/93/75/1074859375.db2.gz HRYPYCPOUNNSMS-MRXNPFEDSA-N 1 3 307.413 2.165 20 0 DEADHO CCC1([NH+]2CCCCC2)CCN(C(=O)[C@H](N)CC2CC2)CC1 ZINC001647377324 1074901442 /nfs/dbraw/zinc/90/14/42/1074901442.db2.gz TZBRGDNZITYNML-MRXNPFEDSA-N 1 3 307.482 2.371 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)N1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC001553556605 1074915607 /nfs/dbraw/zinc/91/56/07/1074915607.db2.gz YCQHXDNUTWXAFY-HZPDHXFCSA-N 1 3 322.497 2.164 20 0 DEADHO CC[N@H+](CCCNC(=O)C1(N(C)C)CCC1)CC1CC(C)C1 ZINC001566553189 1075279530 /nfs/dbraw/zinc/27/95/30/1075279530.db2.gz NJCFBBPBIPTTPI-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CC[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)CC1CC(C)C1 ZINC001566553189 1075279535 /nfs/dbraw/zinc/27/95/35/1075279535.db2.gz NJCFBBPBIPTTPI-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]C/C=C/Cl)N(C)C ZINC001566940733 1075394281 /nfs/dbraw/zinc/39/42/81/1075394281.db2.gz PRGWSIJUTOCFRX-LADOHOGBSA-N 1 3 315.889 2.296 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)CNC[C@H]2CCC[N@@H+](C)C2)c1C ZINC001650159511 1079427416 /nfs/dbraw/zinc/42/74/16/1079427416.db2.gz UELFOGQIZCEXBO-QZTJIDSGSA-N 1 3 320.477 2.283 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)CNC[C@H]2CCC[N@H+](C)C2)c1C ZINC001650159511 1079427418 /nfs/dbraw/zinc/42/74/18/1079427418.db2.gz UELFOGQIZCEXBO-QZTJIDSGSA-N 1 3 320.477 2.283 20 0 DEADHO [NH3+][C@H]1C[C@@H](CNCc2cc(Br)cnc2Cl)C1 ZINC001580421831 1075920451 /nfs/dbraw/zinc/92/04/51/1075920451.db2.gz RICJJRPAJPLCQU-WKFQBHICSA-N 1 3 304.619 2.324 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)NCC12CCC[NH+](CCC1)C2 ZINC001580522133 1075943165 /nfs/dbraw/zinc/94/31/65/1075943165.db2.gz DLXIFMPMIASWID-KRWDZBQOSA-N 1 3 313.445 2.213 20 0 DEADHO O=C(c1ccc(NC2=NCCC2)cc1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC001580816271 1076001947 /nfs/dbraw/zinc/00/19/47/1076001947.db2.gz XSAMIUSTGPADBY-GOEBONIOSA-N 1 3 312.417 2.115 20 0 DEADHO c1cc(N2CC[NH2+]CC2)oc1CNC[C@H]1OCc2ccccc21 ZINC001580896610 1076017582 /nfs/dbraw/zinc/01/75/82/1076017582.db2.gz KCSUDNJGPWRBES-QGZVFWFLSA-N 1 3 313.401 2.050 20 0 DEADHO CC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001590464397 1076632578 /nfs/dbraw/zinc/63/25/78/1076632578.db2.gz CHMLHMFYEZMMFF-INIZCTEOSA-N 1 3 312.421 2.169 20 0 DEADHO CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001590464397 1076632579 /nfs/dbraw/zinc/63/25/79/1076632579.db2.gz CHMLHMFYEZMMFF-INIZCTEOSA-N 1 3 312.421 2.169 20 0 DEADHO CC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001590464397 1076632581 /nfs/dbraw/zinc/63/25/81/1076632581.db2.gz CHMLHMFYEZMMFF-INIZCTEOSA-N 1 3 312.421 2.169 20 0 DEADHO CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001590464397 1076632582 /nfs/dbraw/zinc/63/25/82/1076632582.db2.gz CHMLHMFYEZMMFF-INIZCTEOSA-N 1 3 312.421 2.169 20 0 DEADHO C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001609123282 1077766390 /nfs/dbraw/zinc/76/63/90/1077766390.db2.gz FEKPUOBEDSTUAI-ZDUSSCGKSA-N 1 3 314.437 2.392 20 0 DEADHO C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001609123282 1077766393 /nfs/dbraw/zinc/76/63/93/1077766393.db2.gz FEKPUOBEDSTUAI-ZDUSSCGKSA-N 1 3 314.437 2.392 20 0 DEADHO C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001609123282 1077766396 /nfs/dbraw/zinc/76/63/96/1077766396.db2.gz FEKPUOBEDSTUAI-ZDUSSCGKSA-N 1 3 314.437 2.392 20 0 DEADHO C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001609123282 1077766400 /nfs/dbraw/zinc/76/64/00/1077766400.db2.gz FEKPUOBEDSTUAI-ZDUSSCGKSA-N 1 3 314.437 2.392 20 0 DEADHO CC[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609193191 1077792491 /nfs/dbraw/zinc/79/24/91/1077792491.db2.gz BNYDXKRJPSWDMM-HNNXBMFYSA-N 1 3 314.437 2.297 20 0 DEADHO CC[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609193191 1077792495 /nfs/dbraw/zinc/79/24/95/1077792495.db2.gz BNYDXKRJPSWDMM-HNNXBMFYSA-N 1 3 314.437 2.297 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC001650379938 1079573685 /nfs/dbraw/zinc/57/36/85/1079573685.db2.gz YJDYENVUJAULKG-KFWWJZLASA-N 1 3 301.434 2.338 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001484390412 1079579199 /nfs/dbraw/zinc/57/91/99/1079579199.db2.gz OJOWSCHACXLLGF-BCDXTJNWSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001484390412 1079579203 /nfs/dbraw/zinc/57/92/03/1079579203.db2.gz OJOWSCHACXLLGF-BCDXTJNWSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+]CCN(C)C(=O)CN1CCCC1 ZINC001493793278 1079610289 /nfs/dbraw/zinc/61/02/89/1079610289.db2.gz FVOFTXXUZICBRH-INIZCTEOSA-N 1 3 303.450 2.200 20 0 DEADHO C[C@H](F)CC[N@@H+]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001484716259 1079739937 /nfs/dbraw/zinc/73/99/37/1079739937.db2.gz GZOZPWXVPJXYQN-LSDHHAIUSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H](F)CC[N@H+]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001484716259 1079739941 /nfs/dbraw/zinc/73/99/41/1079739941.db2.gz GZOZPWXVPJXYQN-LSDHHAIUSA-N 1 3 313.461 2.190 20 0 DEADHO C[NH+](C)CC1(C(=O)N[C@H]2CCCN(C/C=C\Cl)CC2)CC1 ZINC001484722157 1079756951 /nfs/dbraw/zinc/75/69/51/1079756951.db2.gz FMYKKUWEPUZSNA-DFGFTWQDSA-N 1 3 313.873 2.051 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@]2(CC[N@H+](CCCF)C2)C1 ZINC001484828874 1079808551 /nfs/dbraw/zinc/80/85/51/1079808551.db2.gz DYLAGRSXQZQLJP-QGZVFWFLSA-N 1 3 313.461 2.002 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@]2(CC[N@@H+](CCCF)C2)C1 ZINC001484828874 1079808562 /nfs/dbraw/zinc/80/85/62/1079808562.db2.gz DYLAGRSXQZQLJP-QGZVFWFLSA-N 1 3 313.461 2.002 20 0 DEADHO C[NH+](C)CCC(=O)N1CCC(C)(NC/C(Cl)=C/Cl)CC1 ZINC001484921374 1079863372 /nfs/dbraw/zinc/86/33/72/1079863372.db2.gz SJXPAXKTFICQOE-BENRWUELSA-N 1 3 322.280 2.228 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CCC2CC2)CC1(C)C)N(C)C ZINC001484940018 1079875194 /nfs/dbraw/zinc/87/51/94/1079875194.db2.gz IONLSVKNERKTEH-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCC2CC2)CC1(C)C)N(C)C ZINC001484940018 1079875197 /nfs/dbraw/zinc/87/51/97/1079875197.db2.gz IONLSVKNERKTEH-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CC(C)C)C1 ZINC001481461363 1079904951 /nfs/dbraw/zinc/90/49/51/1079904951.db2.gz BGVMARQMCHOHKO-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001481461363 1079904953 /nfs/dbraw/zinc/90/49/53/1079904953.db2.gz BGVMARQMCHOHKO-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CC/C=C/CC[NH2+]CC1CC(NC(=O)Cc2nc[nH]c2C)C1 ZINC001485108841 1079986121 /nfs/dbraw/zinc/98/61/21/1079986121.db2.gz LEHBHDAXKGWYHT-SNAWJCMRSA-N 1 3 304.438 2.101 20 0 DEADHO Cc1ccccc1C[N@@H+](C)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001485314674 1080133944 /nfs/dbraw/zinc/13/39/44/1080133944.db2.gz TZHDCRJXRLLVPH-MRXNPFEDSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1ccccc1C[N@H+](C)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001485314674 1080133948 /nfs/dbraw/zinc/13/39/48/1080133948.db2.gz TZHDCRJXRLLVPH-MRXNPFEDSA-N 1 3 317.477 2.416 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[C@H]([NH2+]CCF)C(C)C ZINC001485441887 1080209186 /nfs/dbraw/zinc/20/91/86/1080209186.db2.gz WYSDXZAHPUIUEK-JKSUJKDBSA-N 1 3 315.477 2.293 20 0 DEADHO CCC/C=C/CCN1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001481676263 1080288259 /nfs/dbraw/zinc/28/82/59/1080288259.db2.gz BTLJGKKOQJZWQV-ZBKUBXTQSA-N 1 3 319.493 2.360 20 0 DEADHO Cc1cccc(C[N@@H+](C)CCCNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001660304082 1080305535 /nfs/dbraw/zinc/30/55/35/1080305535.db2.gz PNOZQXGHJFJXKT-QGZVFWFLSA-N 1 3 317.477 2.275 20 0 DEADHO Cc1cccc(C[N@H+](C)CCCNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001660304082 1080305542 /nfs/dbraw/zinc/30/55/42/1080305542.db2.gz PNOZQXGHJFJXKT-QGZVFWFLSA-N 1 3 317.477 2.275 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001485653202 1080345201 /nfs/dbraw/zinc/34/52/01/1080345201.db2.gz JGPXIVAMSNQHTJ-GVDBMIGSSA-N 1 3 321.509 2.488 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001485653202 1080345207 /nfs/dbraw/zinc/34/52/07/1080345207.db2.gz JGPXIVAMSNQHTJ-GVDBMIGSSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](CCC[NH2+]CCF)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001485739319 1080400835 /nfs/dbraw/zinc/40/08/35/1080400835.db2.gz PYOZXTPPWMLWRZ-XJKSGUPXSA-N 1 3 319.440 2.043 20 0 DEADHO Cc1ccccc1C[NH2+]CC[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001268400060 1080426074 /nfs/dbraw/zinc/42/60/74/1080426074.db2.gz QADUZVPWNSMVSO-DOTOQJQBSA-N 1 3 317.477 2.321 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CCCC2CCC2)CC1 ZINC001670891597 1080455681 /nfs/dbraw/zinc/45/56/81/1080455681.db2.gz OJXPOVPKKRXBGN-UHFFFAOYSA-N 1 3 304.438 2.079 20 0 DEADHO CCCN(C)CC(=O)N1CCC(CC[NH2+]CC2CCC2)CC1 ZINC001482007244 1080686971 /nfs/dbraw/zinc/68/69/71/1080686971.db2.gz QRRGLDBVLCJNCY-UHFFFAOYSA-N 1 3 309.498 2.347 20 0 DEADHO CC(C)=CCN1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001663513066 1080764095 /nfs/dbraw/zinc/76/40/95/1080764095.db2.gz RITSXCXCLQMIKZ-MRXNPFEDSA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)CC[NH+]1CCC(CNC(=O)CN2CCC[C@H]2C)CC1 ZINC000079996224 1080920770 /nfs/dbraw/zinc/92/07/70/1080920770.db2.gz RPGOGLDRBKJXFE-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)N(C)CCC[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001268915273 1081045718 /nfs/dbraw/zinc/04/57/18/1081045718.db2.gz JHHAABBKXUSLJE-QGZVFWFLSA-N 1 3 323.456 2.412 20 0 DEADHO CC[C@H](F)C[NH2+]CC[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001666174091 1081130686 /nfs/dbraw/zinc/13/06/86/1081130686.db2.gz XVKGDNIBBYABCR-CVEARBPZSA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001668105101 1081316549 /nfs/dbraw/zinc/31/65/49/1081316549.db2.gz BGWNCBWZQNNBGS-GDBMZVCRSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001668279095 1081336139 /nfs/dbraw/zinc/33/61/39/1081336139.db2.gz PIZUTAUJSWMIEF-WMLDXEAASA-N 1 3 323.456 2.459 20 0 DEADHO C[C@H]1CC[N@H+](CC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000950505680 1081356227 /nfs/dbraw/zinc/35/62/27/1081356227.db2.gz HOFJHWDHOQHFEM-INIZCTEOSA-N 1 3 307.482 2.053 20 0 DEADHO C[C@H]1CC[N@@H+](CC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000950505680 1081356235 /nfs/dbraw/zinc/35/62/35/1081356235.db2.gz HOFJHWDHOQHFEM-INIZCTEOSA-N 1 3 307.482 2.053 20 0 DEADHO CC(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)N1CCCC1)C2 ZINC001095813149 1081411551 /nfs/dbraw/zinc/41/15/51/1081411551.db2.gz GHLNTPMDQYOTDP-OWSLCNJRSA-N 1 3 319.493 2.238 20 0 DEADHO CC(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)N1CCCC1)C2 ZINC001095813149 1081411557 /nfs/dbraw/zinc/41/15/57/1081411557.db2.gz GHLNTPMDQYOTDP-OWSLCNJRSA-N 1 3 319.493 2.238 20 0 DEADHO CC1CCN(CC(=O)NC/C=C/C[NH2+]CCC(C)(C)C)CC1 ZINC001669109165 1081429189 /nfs/dbraw/zinc/42/91/89/1081429189.db2.gz VMXPRXHAJPDLFU-AATRIKPKSA-N 1 3 309.498 2.417 20 0 DEADHO CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1cccc(C)c1)N(C)C ZINC001669137719 1081431209 /nfs/dbraw/zinc/43/12/09/1081431209.db2.gz DPSFRIXAUMSSAN-JTGQJZMRSA-N 1 3 303.450 2.097 20 0 DEADHO CC[C@H](C(=O)NC/C=C/C[NH2+]Cc1ccc(C)c(C)c1)N(C)C ZINC001669146389 1081432590 /nfs/dbraw/zinc/43/25/90/1081432590.db2.gz RZKCAHHOUVURKP-LKGOPFMKSA-N 1 3 317.477 2.406 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+]C/C=C\CNC(=O)CN1CCCC1 ZINC001669188323 1081435933 /nfs/dbraw/zinc/43/59/33/1081435933.db2.gz DUVPHNFSMVNQBS-OSJSJHBBSA-N 1 3 315.461 2.414 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H]1CNCCF)[NH+]1CCCCC1 ZINC001270193079 1081471891 /nfs/dbraw/zinc/47/18/91/1081471891.db2.gz GIROQDOTPAZVBB-HOTGVXAUSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H](C[NH2+]CC1CC(C)(C)C1)N(C)C(=O)CN(C)C1CCC1 ZINC001482290611 1081531771 /nfs/dbraw/zinc/53/17/71/1081531771.db2.gz ADAQBMHNDPPNOV-CQSZACIVSA-N 1 3 309.498 2.343 20 0 DEADHO CCCCC[NH2+]C[C@@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001270737346 1081618549 /nfs/dbraw/zinc/61/85/49/1081618549.db2.gz KQJAHLQIQOQXCX-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C(C)C)cc1 ZINC001482367720 1081766163 /nfs/dbraw/zinc/76/61/63/1081766163.db2.gz BUCSURAQCPNINP-MRXNPFEDSA-N 1 3 305.466 2.272 20 0 DEADHO CC(C)C[C@H](C[NH2+]CC1CC1)NC(=O)[C@@H]1CCCN1C(C)C ZINC001482384154 1081784004 /nfs/dbraw/zinc/78/40/04/1081784004.db2.gz KSABKDNTYDKLBR-SJORKVTESA-N 1 3 309.498 2.390 20 0 DEADHO CN(CC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2C1CCCC1)C1CCCC1 ZINC001271074998 1081897641 /nfs/dbraw/zinc/89/76/41/1081897641.db2.gz IABWYNHXQNOLOD-ROUUACIJSA-N 1 3 319.493 2.479 20 0 DEADHO CN(CC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2C1CCCC1)C1CCCC1 ZINC001271074998 1081897650 /nfs/dbraw/zinc/89/76/50/1081897650.db2.gz IABWYNHXQNOLOD-ROUUACIJSA-N 1 3 319.493 2.479 20 0 DEADHO CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1[NH2+]CCF ZINC001423067688 1081943452 /nfs/dbraw/zinc/94/34/52/1081943452.db2.gz QULFJTYBAGJRFP-HUUCEWRRSA-N 1 3 315.477 2.151 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC(CC[N@H+](C)CC2CC2)CC1 ZINC001482502743 1082129697 /nfs/dbraw/zinc/12/96/97/1082129697.db2.gz QWKLZPYVTPCFSK-KRWDZBQOSA-N 1 3 307.482 2.051 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)CC2CC2)CC1 ZINC001482502743 1082129699 /nfs/dbraw/zinc/12/96/99/1082129699.db2.gz QWKLZPYVTPCFSK-KRWDZBQOSA-N 1 3 307.482 2.051 20 0 DEADHO c1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3[NH2+]C2CCN(C3CC3)CC2)cc1 ZINC000398332889 1082270008 /nfs/dbraw/zinc/27/00/08/1082270008.db2.gz AGCCREBAURXENW-PMOLBWCYSA-N 1 3 311.473 2.333 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]CCC(F)(F)F)C1)N(C)C ZINC001266807120 1082359286 /nfs/dbraw/zinc/35/92/86/1082359286.db2.gz DBTHREHJNBTVOZ-OLZOCXBDSA-N 1 3 323.403 2.107 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001266835975 1082379171 /nfs/dbraw/zinc/37/91/71/1082379171.db2.gz CAAWQQKBMAXBTN-AWEZNQCLSA-N 1 3 319.440 2.200 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]CC[C@H](C)NC(=O)CN(C)C(C)C ZINC001482902822 1082553562 /nfs/dbraw/zinc/55/35/62/1082553562.db2.gz UPSLJIIXXHDIHN-HNNXBMFYSA-N 1 3 323.456 2.459 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1CC(C[NH2+]C[C@H](C)CC(C)C)C1 ZINC001409274258 1082726058 /nfs/dbraw/zinc/72/60/58/1082726058.db2.gz GXVNBBILVFHOAQ-IUDNXUCKSA-N 1 3 320.481 2.427 20 0 DEADHO CC1(CNCc2ccc(OCC[NH+]3CCCC3)cc2)OCCO1 ZINC001413136756 1083379694 /nfs/dbraw/zinc/37/96/94/1083379694.db2.gz NWFKEPIJUVIDGI-UHFFFAOYSA-N 1 3 320.433 2.014 20 0 DEADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001107455122 1083406981 /nfs/dbraw/zinc/40/69/81/1083406981.db2.gz YNHPARXOBMVPKP-RHSMWYFYSA-N 1 3 313.461 2.047 20 0 DEADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001107455122 1083406986 /nfs/dbraw/zinc/40/69/86/1083406986.db2.gz YNHPARXOBMVPKP-RHSMWYFYSA-N 1 3 313.461 2.047 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(C)C)CC2 ZINC001107620837 1083529849 /nfs/dbraw/zinc/52/98/49/1083529849.db2.gz AJAPKIVPNACLGG-SJLPKXTDSA-N 1 3 318.465 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(C)C)CC2 ZINC001107620837 1083529857 /nfs/dbraw/zinc/52/98/57/1083529857.db2.gz AJAPKIVPNACLGG-SJLPKXTDSA-N 1 3 318.465 2.277 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC1CC1)CC2 ZINC001107646674 1083562721 /nfs/dbraw/zinc/56/27/21/1083562721.db2.gz POPCIAQOIOUWLO-IEBWSBKVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC1CC1)CC2 ZINC001107646674 1083562731 /nfs/dbraw/zinc/56/27/31/1083562731.db2.gz POPCIAQOIOUWLO-IEBWSBKVSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H](C)CC[NH+](C)C)C2)cc1 ZINC001413425642 1083577425 /nfs/dbraw/zinc/57/74/25/1083577425.db2.gz CUCZKWHWZOVTCS-FUHWJXTLSA-N 1 3 317.477 2.273 20 0 DEADHO c1c[nH]c(CN2CC[C@H]3C[N@@H+](Cc4cnccn4)C[C@H]3CC2)c1 ZINC001276734245 1083578194 /nfs/dbraw/zinc/57/81/94/1083578194.db2.gz JOSXINVQDIWIKE-IYBDPMFKSA-N 1 3 311.433 2.149 20 0 DEADHO c1c[nH]c(CN2CC[C@H]3C[N@H+](Cc4cnccn4)C[C@H]3CC2)c1 ZINC001276734245 1083578203 /nfs/dbraw/zinc/57/82/03/1083578203.db2.gz JOSXINVQDIWIKE-IYBDPMFKSA-N 1 3 311.433 2.149 20 0 DEADHO CCCC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1CC ZINC001276737899 1083579069 /nfs/dbraw/zinc/57/90/69/1083579069.db2.gz CNLXGJGZEPIMDG-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1CC ZINC001276737901 1083579749 /nfs/dbraw/zinc/57/97/49/1083579749.db2.gz CNLXGJGZEPIMDG-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CN1CCC([N@@H+]2CCC[C@]3(CN(C4CCCC4)CCO3)C2)CC1 ZINC001277627045 1084065382 /nfs/dbraw/zinc/06/53/82/1084065382.db2.gz MMUVDJVNYOBQFH-LJQANCHMSA-N 1 3 321.509 2.190 20 0 DEADHO CN1CCC([N@H+]2CCC[C@]3(CN(C4CCCC4)CCO3)C2)CC1 ZINC001277627045 1084065389 /nfs/dbraw/zinc/06/53/89/1084065389.db2.gz MMUVDJVNYOBQFH-LJQANCHMSA-N 1 3 321.509 2.190 20 0 DEADHO CC[C@@H](C)C[C@H](N)C(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001649108472 1084125319 /nfs/dbraw/zinc/12/53/19/1084125319.db2.gz MGPVOEPULOFTDY-WBVHZDCISA-N 1 3 317.477 2.269 20 0 DEADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(Cl)cc1 ZINC001491480717 1084338223 /nfs/dbraw/zinc/33/82/23/1084338223.db2.gz MBWOSMAUYUSHSY-ZDUSSCGKSA-N 1 3 323.868 2.419 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccc2n1CC[NH2+]C2 ZINC001235715241 1084510765 /nfs/dbraw/zinc/51/07/65/1084510765.db2.gz ODIIHJCQZDBUSB-QGZVFWFLSA-N 1 3 324.472 2.298 20 0 DEADHO F[C@@H]1CNCC[C@H]1N(Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC001235937432 1084568539 /nfs/dbraw/zinc/56/85/39/1084568539.db2.gz RNYLHJRMGOALFH-KZNAEPCWSA-N 1 3 305.441 2.188 20 0 DEADHO [NH3+]C1CN([C@H]2CCCN(Cc3c[nH]c4cccc(Cl)c34)C2)C1 ZINC001236073568 1084604610 /nfs/dbraw/zinc/60/46/10/1084604610.db2.gz PATAUUNXSFKULM-AWEZNQCLSA-N 1 3 318.852 2.429 20 0 DEADHO CCOc1cc(CN2CCC[C@@H](N3CC([NH3+])C3)C2)ccc1C ZINC001236080811 1084607892 /nfs/dbraw/zinc/60/78/92/1084607892.db2.gz XGINYEIBEPRPAU-QGZVFWFLSA-N 1 3 303.450 2.001 20 0 DEADHO Cc1cc(CN(C)CCN2CC[NH2+]CC2)ccc1OC(C)C ZINC001236082330 1084608406 /nfs/dbraw/zinc/60/84/06/1084608406.db2.gz XVFJBFKZKVVTJK-UHFFFAOYSA-N 1 3 305.466 2.119 20 0 DEADHO CCOC(=O)c1ccc(CCC[N@@H+]2CCCN[C@@H](C)C2)cc1 ZINC001236098142 1084611504 /nfs/dbraw/zinc/61/15/04/1084611504.db2.gz OQCCTIYDQHVXAZ-HNNXBMFYSA-N 1 3 304.434 2.480 20 0 DEADHO CCOC(=O)c1ccc(CCC[N@H+]2CCCN[C@@H](C)C2)cc1 ZINC001236098142 1084611509 /nfs/dbraw/zinc/61/15/09/1084611509.db2.gz OQCCTIYDQHVXAZ-HNNXBMFYSA-N 1 3 304.434 2.480 20 0 DEADHO Cc1ccc(CN2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)s1 ZINC001272933565 1084861105 /nfs/dbraw/zinc/86/11/05/1084861105.db2.gz DGZUDGMOPZRQPJ-KRWDZBQOSA-N 1 3 321.490 2.185 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]CC[C@H](C)F)C(C)(C)C ZINC001486424484 1085298652 /nfs/dbraw/zinc/29/86/52/1085298652.db2.gz NPMUKDUZKHNNAG-UONOGXRCSA-N 1 3 303.466 2.195 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCC1 ZINC000960488264 1085312340 /nfs/dbraw/zinc/31/23/40/1085312340.db2.gz QPZLIXRJOGFXFZ-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCC1 ZINC000960488264 1085312348 /nfs/dbraw/zinc/31/23/48/1085312348.db2.gz QPZLIXRJOGFXFZ-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)N1CCN(CC[NH2+][C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168695361 1085439357 /nfs/dbraw/zinc/43/93/57/1085439357.db2.gz YNRGJXVQRJUCSR-INIZCTEOSA-N 1 3 321.896 2.423 20 0 DEADHO CC(C)[NH2+]C1CC2(CC(NC(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000965032505 1085504047 /nfs/dbraw/zinc/50/40/47/1085504047.db2.gz AIOCHTCQYGNXIH-UHFFFAOYSA-N 1 3 307.482 2.144 20 0 DEADHO CC(C)C[NH2+]C1CC2(CC(NC(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000965061256 1085511155 /nfs/dbraw/zinc/51/11/55/1085511155.db2.gz BFNOHIJECSFPAS-JFPDKAJLSA-N 1 3 307.482 2.144 20 0 DEADHO Cc1ccc(CN2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)cc1 ZINC001272972034 1085731299 /nfs/dbraw/zinc/73/12/99/1085731299.db2.gz OUZAHTXCORJUGG-IBGZPJMESA-N 1 3 315.461 2.124 20 0 DEADHO CC(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCCCCC1 ZINC000961953269 1085918615 /nfs/dbraw/zinc/91/86/15/1085918615.db2.gz CFASCRRZMLRPMU-BDXSIMOUSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCCCCC1 ZINC000961953269 1085918620 /nfs/dbraw/zinc/91/86/20/1085918620.db2.gz CFASCRRZMLRPMU-BDXSIMOUSA-N 1 3 321.509 2.343 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC)C[C@H]21 ZINC000962258791 1086041328 /nfs/dbraw/zinc/04/13/28/1086041328.db2.gz ASFIEAIBWIHLFO-XWTMOSNGSA-N 1 3 321.509 2.488 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC)C[C@H]21 ZINC000962258791 1086041335 /nfs/dbraw/zinc/04/13/35/1086041335.db2.gz ASFIEAIBWIHLFO-XWTMOSNGSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1CCCN1CC(=O)NC1CC(C[NH2+]CC2=CCCCC2)C1 ZINC000962305377 1086059197 /nfs/dbraw/zinc/05/91/97/1086059197.db2.gz JVFJLAIZXANEQK-ZLPCBKJTSA-N 1 3 319.493 2.456 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](C)c1ccccc1F ZINC001128787264 1086386974 /nfs/dbraw/zinc/38/69/74/1086386974.db2.gz XWWWPPGRCOCVND-WMLDXEAASA-N 1 3 321.440 2.467 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](C)c1ccccc1F ZINC001128787264 1086386990 /nfs/dbraw/zinc/38/69/90/1086386990.db2.gz XWWWPPGRCOCVND-WMLDXEAASA-N 1 3 321.440 2.467 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963366104 1086428210 /nfs/dbraw/zinc/42/82/10/1086428210.db2.gz JHIDKNXOFWSWSS-GDBMZVCRSA-N 1 3 304.438 2.065 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963366104 1086428215 /nfs/dbraw/zinc/42/82/15/1086428215.db2.gz JHIDKNXOFWSWSS-GDBMZVCRSA-N 1 3 304.438 2.065 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)CN1Cc1ccccc1 ZINC000711109962 1086694706 /nfs/dbraw/zinc/69/47/06/1086694706.db2.gz PNNWLXKYOXANKM-DDBAPUKQSA-N 1 3 315.461 2.283 20 0 DEADHO [NH3+]CC1CCN(Cc2c[nH]c3nc(Cl)nc(Cl)c23)CC1 ZINC001205058463 1086718559 /nfs/dbraw/zinc/71/85/59/1086718559.db2.gz NKWHFLJYYPTFRK-UHFFFAOYSA-N 1 3 314.220 2.387 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+][C@H](C)c1ccccc1F ZINC001168764291 1087690754 /nfs/dbraw/zinc/69/07/54/1087690754.db2.gz XNVLZZXAZOKYQT-CQSZACIVSA-N 1 3 309.429 2.324 20 0 DEADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CCN(CC3CCCC3)CC2)C1 ZINC000957325588 1088172685 /nfs/dbraw/zinc/17/26/85/1088172685.db2.gz QGCMBJUUGFDJJO-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC2(CC1)CC[NH+](CC1CC1)CC2 ZINC000957517551 1088370660 /nfs/dbraw/zinc/37/06/60/1088370660.db2.gz WBMGZZOXLGUQFH-QGZVFWFLSA-N 1 3 319.493 2.195 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]C/C=C\Cl ZINC001273201238 1088783443 /nfs/dbraw/zinc/78/34/43/1088783443.db2.gz BPSXVJJMFUJQEY-UMBVUCBTSA-N 1 3 301.862 2.098 20 0 DEADHO CC[NH2+]C[C@@H]1c2ccccc2CCN1C(=O)[C@@H](CC)N(C)C ZINC000958791729 1089187031 /nfs/dbraw/zinc/18/70/31/1089187031.db2.gz UZRXKARQYINRFW-IAGOWNOFSA-N 1 3 303.450 2.062 20 0 DEADHO CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1c1ccccc1 ZINC001081182369 1089368691 /nfs/dbraw/zinc/36/86/91/1089368691.db2.gz TWIMDDYVKMTEET-KSZLIROESA-N 1 3 317.477 2.321 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC3CCC3)C[C@@H]2C1 ZINC001410185812 1090395368 /nfs/dbraw/zinc/39/53/68/1090395368.db2.gz NVIXNPQFVREUOF-FGTMMUONSA-N 1 3 321.509 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2C1 ZINC001410185812 1090395377 /nfs/dbraw/zinc/39/53/77/1090395377.db2.gz NVIXNPQFVREUOF-FGTMMUONSA-N 1 3 321.509 2.345 20 0 DEADHO CCN1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084853254 1090476975 /nfs/dbraw/zinc/47/69/75/1090476975.db2.gz AEGICAUQPYRMMM-ZACQAIPSSA-N 1 3 307.482 2.050 20 0 DEADHO CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC001410326796 1090557790 /nfs/dbraw/zinc/55/77/90/1090557790.db2.gz LYQFQRZGIMRJSJ-KRWDZBQOSA-N 1 3 303.450 2.208 20 0 DEADHO Cc1cc(F)ccc1C[NH2+][C@@H](C)CN(C)C(=O)CN(C)C(C)C ZINC001410512426 1091023010 /nfs/dbraw/zinc/02/30/10/1091023010.db2.gz NZCFBBRUPJLYBO-HNNXBMFYSA-N 1 3 323.456 2.411 20 0 DEADHO CC(C)[C@H](C(=O)NC/C=C/CNCc1cccc(F)c1)[NH+](C)C ZINC001274340971 1091197422 /nfs/dbraw/zinc/19/74/22/1091197422.db2.gz ZNZSYKRGESXPFT-FUTAKVPZSA-N 1 3 321.440 2.174 20 0 DEADHO C[C@@H]([NH2+]C/C=C/CNC(=O)CN1CC[C@@H](C)C1)c1ccccc1 ZINC001274370614 1091210315 /nfs/dbraw/zinc/21/03/15/1091210315.db2.gz URJMCEYUKMSVLE-KGVXHEBISA-N 1 3 315.461 2.351 20 0 DEADHO O=C(CN1CCCC1)NC/C=C\C[NH2+]C/C=C\c1ccccc1 ZINC001274578673 1091307091 /nfs/dbraw/zinc/30/70/91/1091307091.db2.gz LXQHHAIZUONPFG-YMVJEYMASA-N 1 3 313.445 2.058 20 0 DEADHO c1cn(CC[N@@H+]2CCC3(CN(C[C@@H]4CC=CCC4)C3)C2)cn1 ZINC001275040446 1091523042 /nfs/dbraw/zinc/52/30/42/1091523042.db2.gz KJRDTBIXCGABFX-QGZVFWFLSA-N 1 3 300.450 2.247 20 0 DEADHO c1cn(CC[N@H+]2CCC3(CN(C[C@@H]4CC=CCC4)C3)C2)cn1 ZINC001275040446 1091523051 /nfs/dbraw/zinc/52/30/51/1091523051.db2.gz KJRDTBIXCGABFX-QGZVFWFLSA-N 1 3 300.450 2.247 20 0 DEADHO CCC[C@H](C)C[NH+]1CCC2(CCN(CC(=O)N(C)C)C2)CC1 ZINC001275074025 1091542613 /nfs/dbraw/zinc/54/26/13/1091542613.db2.gz ODXNBVUFWHVCAR-INIZCTEOSA-N 1 3 309.498 2.299 20 0 DEADHO Cc1ccc(CN2CCC[C@]3(CC[N@@H+](CCN(C)C)C3)C2)o1 ZINC001275240375 1091631649 /nfs/dbraw/zinc/63/16/49/1091631649.db2.gz OJHVBDWXGCPNHP-GOSISDBHSA-N 1 3 305.466 2.438 20 0 DEADHO Cc1ccc(CN2CCC[C@]3(CC[N@H+](CCN(C)C)C3)C2)o1 ZINC001275240375 1091631653 /nfs/dbraw/zinc/63/16/53/1091631653.db2.gz OJHVBDWXGCPNHP-GOSISDBHSA-N 1 3 305.466 2.438 20 0 DEADHO Cc1ccc(CN2CC3(C2)CC[N@@H+](CCN(C)C)C3)c(C)c1 ZINC001275283496 1091651271 /nfs/dbraw/zinc/65/12/71/1091651271.db2.gz MWVHKHAQWALIBH-UHFFFAOYSA-N 1 3 301.478 2.373 20 0 DEADHO Cc1ccc(CN2CC3(C2)CC[N@H+](CCN(C)C)C3)c(C)c1 ZINC001275283496 1091651272 /nfs/dbraw/zinc/65/12/72/1091651272.db2.gz MWVHKHAQWALIBH-UHFFFAOYSA-N 1 3 301.478 2.373 20 0 DEADHO CN(C)CC[N@@H+]1CCC2(C1)CCN(Cc1ccnc(F)c1)CC2 ZINC001275400662 1091716981 /nfs/dbraw/zinc/71/69/81/1091716981.db2.gz XUCWJNOQSLWYSO-UHFFFAOYSA-N 1 3 320.456 2.070 20 0 DEADHO CN(C)CC[N@H+]1CCC2(C1)CCN(Cc1ccnc(F)c1)CC2 ZINC001275400662 1091716986 /nfs/dbraw/zinc/71/69/86/1091716986.db2.gz XUCWJNOQSLWYSO-UHFFFAOYSA-N 1 3 320.456 2.070 20 0 DEADHO C[NH+](C)CCN1CC2(C1)CN(Cc1cccc3c1CCCC3)C2 ZINC001275533958 1091836297 /nfs/dbraw/zinc/83/62/97/1091836297.db2.gz UGQGTWASVKSENG-UHFFFAOYSA-N 1 3 313.489 2.245 20 0 DEADHO CC(C)CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001190653493 1091951205 /nfs/dbraw/zinc/95/12/05/1091951205.db2.gz CYVMCLAFWHRFBL-DLBZAZTESA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001190653493 1091951210 /nfs/dbraw/zinc/95/12/10/1091951210.db2.gz CYVMCLAFWHRFBL-DLBZAZTESA-N 1 3 309.498 2.296 20 0 DEADHO CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1ccccc1C)N(C)C ZINC001273610991 1091953547 /nfs/dbraw/zinc/95/35/47/1091953547.db2.gz SMMXFFOPXRHXTF-KRWDZBQOSA-N 1 3 305.466 2.273 20 0 DEADHO CCCN1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000948985074 1092021793 /nfs/dbraw/zinc/02/17/93/1092021793.db2.gz BSXNYBVJHIYNPZ-SJLPKXTDSA-N 1 3 315.461 2.064 20 0 DEADHO CCCN1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000948985074 1092021802 /nfs/dbraw/zinc/02/18/02/1092021802.db2.gz BSXNYBVJHIYNPZ-SJLPKXTDSA-N 1 3 315.461 2.064 20 0 DEADHO CN(C)CC[NH2+][C@@]12CC[C@@](NCc3cccc(O)c3)(C1)CCC2 ZINC001275816408 1092175075 /nfs/dbraw/zinc/17/50/75/1092175075.db2.gz VMNRZPZEWTWYFX-RBUKOAKNSA-N 1 3 317.477 2.478 20 0 DEADHO CN(C)CC[N@@H+]1CCC2(CN(Cc3c[nH]c4ccccc34)C2)C1 ZINC001275868837 1092250581 /nfs/dbraw/zinc/25/05/81/1092250581.db2.gz OSGFTUDAZLFUPS-UHFFFAOYSA-N 1 3 312.461 2.237 20 0 DEADHO CN(C)CC[N@H+]1CCC2(CN(Cc3c[nH]c4ccccc34)C2)C1 ZINC001275868837 1092250596 /nfs/dbraw/zinc/25/05/96/1092250596.db2.gz OSGFTUDAZLFUPS-UHFFFAOYSA-N 1 3 312.461 2.237 20 0 DEADHO CN(C)CC[N@@H+]1CCCC2(CCN(Cc3cccnc3)CC2)C1 ZINC001275885637 1092270534 /nfs/dbraw/zinc/27/05/34/1092270534.db2.gz KGIMEOWTUUMSEA-UHFFFAOYSA-N 1 3 316.493 2.321 20 0 DEADHO CN(C)CC[N@H+]1CCCC2(CCN(Cc3cccnc3)CC2)C1 ZINC001275885637 1092270551 /nfs/dbraw/zinc/27/05/51/1092270551.db2.gz KGIMEOWTUUMSEA-UHFFFAOYSA-N 1 3 316.493 2.321 20 0 DEADHO C[C@@H]1C[C@@H](NCc2ccccc2Cl)CN1C(=O)CC[NH+](C)C ZINC001369396951 1148928548 /nfs/dbraw/zinc/92/85/48/1148928548.db2.gz DXQLPBCGDMMQDU-UKRRQHHQSA-N 1 3 323.868 2.371 20 0 DEADHO CCO[C@@H](CC[NH+](C)C)CNCc1cccc2c1OCCCO2 ZINC000150980566 1138190350 /nfs/dbraw/zinc/19/03/50/1138190350.db2.gz DOQVYFHBIOXHMB-INIZCTEOSA-N 1 3 322.449 2.294 20 0 DEADHO c1c[nH]c(CN2CC[C@H]3C[N@H+](C[C@H]4CCOC4)C[C@H]3CC2)c1 ZINC001275172903 1138234056 /nfs/dbraw/zinc/23/40/56/1138234056.db2.gz YDLYSCHMNDSGDX-ZACQAIPSSA-N 1 3 303.450 2.195 20 0 DEADHO c1c[nH]c(CN2CC[C@H]3C[N@@H+](C[C@H]4CCOC4)C[C@H]3CC2)c1 ZINC001275172903 1138234059 /nfs/dbraw/zinc/23/40/59/1138234059.db2.gz YDLYSCHMNDSGDX-ZACQAIPSSA-N 1 3 303.450 2.195 20 0 DEADHO c1cc2n(c1CN(Cc1ccccc1)[C@@H]1CCC[NH2+]C1)CCNC2 ZINC001236269106 1138344847 /nfs/dbraw/zinc/34/48/47/1138344847.db2.gz FPNVJOCOSPRNBL-GOSISDBHSA-N 1 3 324.472 2.346 20 0 DEADHO c1cnn(CCCN2CCC3(CC2)[NH2+]CCc2ccccc23)c1 ZINC001237277184 1138559218 /nfs/dbraw/zinc/55/92/18/1138559218.db2.gz WZMNJGSGLHQFSA-UHFFFAOYSA-N 1 3 310.445 2.410 20 0 DEADHO CCOC(=O)[C@H]1CN(Cc2ccc(Cl)cc2)CCC12C[NH2+]C2 ZINC001237412830 1138616355 /nfs/dbraw/zinc/61/63/55/1138616355.db2.gz VJVCSKMVBCCWBR-OAHLLOKOSA-N 1 3 322.836 2.315 20 0 DEADHO CCc1n[nH]cc1CN1CCC(COCC[NH+]2CCCC2)CC1 ZINC001237651938 1138737427 /nfs/dbraw/zinc/73/74/27/1138737427.db2.gz NOQRXOXTHFFXCM-UHFFFAOYSA-N 1 3 320.481 2.297 20 0 DEADHO CCN(C(=O)[C@H]1CC12CN(CC1CC[NH+](CC)CC1)C2)C(C)C ZINC001278139860 1138776894 /nfs/dbraw/zinc/77/68/94/1138776894.db2.gz OZQBYVRWJNAYCO-QGZVFWFLSA-N 1 3 321.509 2.297 20 0 DEADHO Cc1ccc(F)c(NC(=O)NC[C@H]2CCC3(CCNCC3)[NH2+]2)c1 ZINC001239216064 1138991299 /nfs/dbraw/zinc/99/12/99/1138991299.db2.gz MHRXAIUFOZZONK-CYBMUJFWSA-N 1 3 320.412 2.130 20 0 DEADHO CSc1ccc(NC(=S)NCCC[NH2+]CCCN)cc1 ZINC001239396456 1139033523 /nfs/dbraw/zinc/03/35/23/1139033523.db2.gz HOPAWELVCADWLH-UHFFFAOYSA-N 1 3 312.508 2.023 20 0 DEADHO CN(C)Cc1cncc(-c2cccc(CN3CC[NH2+]CC3)c2)c1 ZINC001240248084 1139307374 /nfs/dbraw/zinc/30/73/74/1139307374.db2.gz VEINDKRGIRNPAA-UHFFFAOYSA-N 1 3 310.445 2.215 20 0 DEADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccsc1 ZINC001491579325 1140172673 /nfs/dbraw/zinc/17/26/73/1140172673.db2.gz KOBWWVCLHCKOME-CYBMUJFWSA-N 1 3 311.495 2.320 20 0 DEADHO C[C@H](F)CC[NH2+]C[C@H](C)N(C)C(=O)CN(C)CC(C)(C)C ZINC001319534004 1140611260 /nfs/dbraw/zinc/61/12/60/1140611260.db2.gz NETFCMYLSBJICB-KBPBESRZSA-N 1 3 303.466 2.149 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@@H]1CC[NH2+]C/C=C\Cl)N(C)C ZINC001319788990 1140716581 /nfs/dbraw/zinc/71/65/81/1140716581.db2.gz VLERZSPEUHLYJU-IKQZUGGXSA-N 1 3 315.889 2.440 20 0 DEADHO CCCC[C@@H](CC)COCCC[NH2+]C[C@]1(O)CCCNC1 ZINC001245991956 1140842860 /nfs/dbraw/zinc/84/28/60/1140842860.db2.gz WVQMHNRGSLJMOG-SJORKVTESA-N 1 3 300.487 2.314 20 0 DEADHO [NH3+][C@@H]1CCCN(C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC001246018319 1140846634 /nfs/dbraw/zinc/84/66/34/1140846634.db2.gz VOQBXFKSNSARTE-IAGOWNOFSA-N 1 3 314.429 2.393 20 0 DEADHO O[C@H](CN[C@H](C1CCC1)C1C[NH2+]C1)COc1ccc(Cl)cc1 ZINC001246017556 1140846676 /nfs/dbraw/zinc/84/66/76/1140846676.db2.gz BOIFBAVXDCCZRF-NVXWUHKLSA-N 1 3 324.852 2.057 20 0 DEADHO C[C@@]1([NH3+])CCCN(C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC001246025561 1140849356 /nfs/dbraw/zinc/84/93/56/1140849356.db2.gz YZLBNKZEFDQECJ-GDBMZVCRSA-N 1 3 312.841 2.283 20 0 DEADHO C[C@H]1Cc2ccccc2C[N@@H+]1C[C@@H](O)[C@@H](N)Cc1ccccc1 ZINC001246049364 1140854024 /nfs/dbraw/zinc/85/40/24/1140854024.db2.gz QTNVVZFREQTSBQ-RYGJVYDSSA-N 1 3 310.441 2.364 20 0 DEADHO C[C@H]1Cc2ccccc2C[N@H+]1C[C@@H](O)[C@@H](N)Cc1ccccc1 ZINC001246049364 1140854026 /nfs/dbraw/zinc/85/40/26/1140854026.db2.gz QTNVVZFREQTSBQ-RYGJVYDSSA-N 1 3 310.441 2.364 20 0 DEADHO c1ccc(CC2CCN(CCN[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001246093638 1140860506 /nfs/dbraw/zinc/86/05/06/1140860506.db2.gz PSSXUCSNENEUEV-IBGZPJMESA-N 1 3 301.478 2.283 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]C2CCC3(CCC(=O)N3CC3CC3)CC2)CCN1 ZINC001246157194 1140867807 /nfs/dbraw/zinc/86/78/07/1140867807.db2.gz OLWCKACXEAHQGL-JGWYNZBZSA-N 1 3 319.493 2.430 20 0 DEADHO Cc1ccc(CN2CCC(N[C@@H]3CCC[NH2+]C3)CC2)c(F)c1 ZINC001246365523 1140888705 /nfs/dbraw/zinc/88/87/05/1140888705.db2.gz YGDFHCPQXSYEGK-QGZVFWFLSA-N 1 3 305.441 2.440 20 0 DEADHO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CC12CNC2 ZINC001246442807 1140899654 /nfs/dbraw/zinc/89/96/54/1140899654.db2.gz DXGGPADOYBIVIG-GWCFXTLKSA-N 1 3 300.324 2.468 20 0 DEADHO CO[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246516418 1140933477 /nfs/dbraw/zinc/93/34/77/1140933477.db2.gz SERYZUHGWBRALK-OQIJWPOYSA-N 1 3 317.477 2.006 20 0 DEADHO CCOC(=O)CC1CCC(N2CCC(F)(F)[C@@H](C[NH3+])C2)CC1 ZINC001246562740 1140967331 /nfs/dbraw/zinc/96/73/31/1140967331.db2.gz ZJQGQZGSGSWKAW-MOKVOYLWSA-N 1 3 318.408 2.414 20 0 DEADHO CCOC(=O)[C@@]12C[N@@H+]([C@@H]3CCC[C@@H](C)C3)C[C@@H]1CNCCC2 ZINC001246599256 1140996416 /nfs/dbraw/zinc/99/64/16/1140996416.db2.gz BRVFBYLDMOARFC-HPFXQQBRSA-N 1 3 308.466 2.430 20 0 DEADHO CCOC(=O)[C@@]12C[N@H+]([C@@H]3CCC[C@@H](C)C3)C[C@@H]1CNCCC2 ZINC001246599256 1140996420 /nfs/dbraw/zinc/99/64/20/1140996420.db2.gz BRVFBYLDMOARFC-HPFXQQBRSA-N 1 3 308.466 2.430 20 0 DEADHO CCOC(=O)[C@@]12C[N@@H+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@@H]1CNCCC2 ZINC001246613880 1141005823 /nfs/dbraw/zinc/00/58/23/1141005823.db2.gz ZJSGXEGYLGQBKG-NAHJCDBISA-N 1 3 320.477 2.286 20 0 DEADHO CCOC(=O)[C@@]12C[N@H+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@@H]1CNCCC2 ZINC001246613880 1141005834 /nfs/dbraw/zinc/00/58/34/1141005834.db2.gz ZJSGXEGYLGQBKG-NAHJCDBISA-N 1 3 320.477 2.286 20 0 DEADHO CC(C)(C)C1CCC(N2CC(=O)NC3(CC[NH2+]CC3)C2)CC1 ZINC001246631328 1141012513 /nfs/dbraw/zinc/01/25/13/1141012513.db2.gz WQYNBDYLWNKCRV-UHFFFAOYSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)N1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246659758 1141027456 /nfs/dbraw/zinc/02/74/56/1141027456.db2.gz GNBLIXXOFRYKFD-WTDIUWLJSA-N 1 3 300.324 2.405 20 0 DEADHO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3[C@H]2CCN[C@@H](C)C2)o1 ZINC001246700303 1141038952 /nfs/dbraw/zinc/03/89/52/1141038952.db2.gz CFQWKLSSLPOBIR-QXRTWZOPSA-N 1 3 303.450 2.377 20 0 DEADHO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3[C@H]2CCN[C@@H](C)C2)o1 ZINC001246700303 1141038962 /nfs/dbraw/zinc/03/89/62/1141038962.db2.gz CFQWKLSSLPOBIR-QXRTWZOPSA-N 1 3 303.450 2.377 20 0 DEADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@]3(CCN(c4ccsc4)C3=O)C2)CCN1 ZINC001246712569 1141043458 /nfs/dbraw/zinc/04/34/58/1141043458.db2.gz BLOMOEJAWPNHAI-CKEIUWERSA-N 1 3 319.474 2.317 20 0 DEADHO C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(CCN(c4ccsc4)C3=O)C2)CCN1 ZINC001246712569 1141043468 /nfs/dbraw/zinc/04/34/68/1141043468.db2.gz BLOMOEJAWPNHAI-CKEIUWERSA-N 1 3 319.474 2.317 20 0 DEADHO C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)CN1 ZINC001246758620 1141051070 /nfs/dbraw/zinc/05/10/70/1141051070.db2.gz ONJKLCRKDDZAFL-OQIJWPOYSA-N 1 3 322.493 2.282 20 0 DEADHO C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)CN1 ZINC001246758620 1141051081 /nfs/dbraw/zinc/05/10/81/1141051081.db2.gz ONJKLCRKDDZAFL-OQIJWPOYSA-N 1 3 322.493 2.282 20 0 DEADHO Cc1ccc(C[NH2+]C/C=C\CNC(=O)CN(C)C2CCC2)cc1 ZINC001321096447 1141052609 /nfs/dbraw/zinc/05/26/09/1141052609.db2.gz PHIGEFGBHKLPKL-ARJAWSKDSA-N 1 3 315.461 2.241 20 0 DEADHO C[C@@H]1C[C@@H](N2CCCN(Cc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001246824378 1141076614 /nfs/dbraw/zinc/07/66/14/1141076614.db2.gz RMHVOUCFLWUDPS-QAPCUYQASA-N 1 3 305.441 2.474 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC/C=C\C[NH2+]CCC2=CCCCC2)C1 ZINC001321249092 1141099048 /nfs/dbraw/zinc/09/90/48/1141099048.db2.gz ICARMNSJVNRLAG-KEGWNNHHSA-N 1 3 319.493 2.481 20 0 DEADHO CCC[C@H](COC)[N@H+](CCC(=O)OCC)[C@H]1CCN[C@H](C)C1 ZINC001246893257 1141103500 /nfs/dbraw/zinc/10/35/00/1141103500.db2.gz VIIYTHGVMXMFND-OWCLPIDISA-N 1 3 314.470 2.197 20 0 DEADHO CCC[C@H](COC)[N@@H+](CCC(=O)OCC)[C@H]1CCN[C@H](C)C1 ZINC001246893257 1141103521 /nfs/dbraw/zinc/10/35/21/1141103521.db2.gz VIIYTHGVMXMFND-OWCLPIDISA-N 1 3 314.470 2.197 20 0 DEADHO CCC[C@H](COC)N(CCC(=O)OCC)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246893257 1141103542 /nfs/dbraw/zinc/10/35/42/1141103542.db2.gz VIIYTHGVMXMFND-OWCLPIDISA-N 1 3 314.470 2.197 20 0 DEADHO FC(F)(F)[C@@H]1C[C@H]([N@H+](C[C@H]2CCCNC2)C2CC2)CCN1 ZINC001246975889 1141204373 /nfs/dbraw/zinc/20/43/73/1141204373.db2.gz UJCXSOCAXRQJHC-YUTCNCBUSA-N 1 3 305.388 2.133 20 0 DEADHO FC(F)(F)[C@@H]1C[C@H]([N@@H+](C[C@H]2CCCNC2)C2CC2)CCN1 ZINC001246975889 1141204398 /nfs/dbraw/zinc/20/43/98/1141204398.db2.gz UJCXSOCAXRQJHC-YUTCNCBUSA-N 1 3 305.388 2.133 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC/C=C/C[NH2+]CC1CC2(CCC2)C1 ZINC001321362962 1141204134 /nfs/dbraw/zinc/20/41/34/1141204134.db2.gz JFXTUOPYBVTPDP-NSCUHMNNSA-N 1 3 316.449 2.103 20 0 DEADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@H]3[NH2+]CCC[C@H]3C1)C2 ZINC001247013081 1141241267 /nfs/dbraw/zinc/24/12/67/1141241267.db2.gz FLCKIAABTNBIES-SIRPWMCASA-N 1 3 321.465 2.212 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]CC[C@H]1CCCC1(F)F ZINC001322088013 1141391262 /nfs/dbraw/zinc/39/12/62/1141391262.db2.gz JYPCMKCFBSSLIK-UONOGXRCSA-N 1 3 319.440 2.246 20 0 DEADHO [NH3+]CCCCCCCc1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001248190409 1141720825 /nfs/dbraw/zinc/72/08/25/1141720825.db2.gz MSVIVGAJTQZSAV-UHFFFAOYSA-N 1 3 315.421 2.229 20 0 DEADHO CN1CCN(c2ccc3[nH]c(C4CC[NH+](C)CC4)nc3c2)CC1 ZINC001250547484 1142235045 /nfs/dbraw/zinc/23/50/45/1142235045.db2.gz QQWDCJHGRRFOLD-UHFFFAOYSA-N 1 3 313.449 2.124 20 0 DEADHO O[C@H](C[NH2+]CCc1c[nH]c2ccncc12)COc1ccccc1 ZINC001251247211 1142406515 /nfs/dbraw/zinc/40/65/15/1142406515.db2.gz BXQZHPUPMLSSMQ-OAHLLOKOSA-N 1 3 311.385 2.135 20 0 DEADHO CCN(CC)C[C@@H](O)C[NH2+]CCc1c(F)cccc1Cl ZINC001253175697 1142850066 /nfs/dbraw/zinc/85/00/66/1142850066.db2.gz WIHULSLLCGBKCZ-LBPRGKRZSA-N 1 3 302.821 2.314 20 0 DEADHO CC[NH+](CC)C[C@H](O)CNCCc1c[nH]c2ccc(OC)cc12 ZINC001253203675 1142853549 /nfs/dbraw/zinc/85/35/49/1142853549.db2.gz WHKKRHLNXNZHAU-OAHLLOKOSA-N 1 3 319.449 2.011 20 0 DEADHO CCN(CC)C[C@@H](O)C[NH2+][C@@H]1CSc2c(cccc2OC)C1 ZINC001253212957 1142854860 /nfs/dbraw/zinc/85/48/60/1142854860.db2.gz JNGKPTLHQYHFGA-GJZGRUSLSA-N 1 3 324.490 2.004 20 0 DEADHO CC(C)(C)[NH2+]C[C@@H](O)CNC[C@H](c1ccccc1)N1CCCC1 ZINC001253403829 1142869551 /nfs/dbraw/zinc/86/95/51/1142869551.db2.gz KSLOKNRLHNFHLQ-ZWKOTPCHSA-N 1 3 319.493 2.162 20 0 DEADHO Cc1ccc(OC[C@@H](O)C[NH2+]CCCN2CCC(C)CC2)cc1 ZINC001253839429 1142977203 /nfs/dbraw/zinc/97/72/03/1142977203.db2.gz UMZVAWWTGMJUPG-SFHVURJKSA-N 1 3 320.477 2.446 20 0 DEADHO CCOC(=O)[C@H](C[NH2+][C@@H]1CCCN(C)CC1)c1ccccc1 ZINC001254508438 1143154148 /nfs/dbraw/zinc/15/41/48/1143154148.db2.gz JAANIDAFJSZXSI-IAGOWNOFSA-N 1 3 304.434 2.407 20 0 DEADHO CCOC(=O)[C@H](CN[C@@H]1CCC[N@H+](C)CC1)c1ccccc1 ZINC001254508438 1143154162 /nfs/dbraw/zinc/15/41/62/1143154162.db2.gz JAANIDAFJSZXSI-IAGOWNOFSA-N 1 3 304.434 2.407 20 0 DEADHO CCOC(=O)[C@H](CN[C@@H]1CCC[N@@H+](C)CC1)c1ccccc1 ZINC001254508438 1143154181 /nfs/dbraw/zinc/15/41/81/1143154181.db2.gz JAANIDAFJSZXSI-IAGOWNOFSA-N 1 3 304.434 2.407 20 0 DEADHO CN([C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254522745 1143198794 /nfs/dbraw/zinc/19/87/94/1143198794.db2.gz JGIOSZGGMKCREB-HUUCEWRRSA-N 1 3 311.470 2.412 20 0 DEADHO CN([C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254522745 1143198829 /nfs/dbraw/zinc/19/88/29/1143198829.db2.gz JGIOSZGGMKCREB-HUUCEWRRSA-N 1 3 311.470 2.412 20 0 DEADHO CN([C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@H+](C)CC1 ZINC001254522742 1143199272 /nfs/dbraw/zinc/19/92/72/1143199272.db2.gz JGIOSZGGMKCREB-GJZGRUSLSA-N 1 3 311.470 2.412 20 0 DEADHO CN([C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254522742 1143199297 /nfs/dbraw/zinc/19/92/97/1143199297.db2.gz JGIOSZGGMKCREB-GJZGRUSLSA-N 1 3 311.470 2.412 20 0 DEADHO Cc1cncnc1O[C@@H]1CCC[N@@H+]([C@@H]2CCCN(C)CC2)C1 ZINC001254531595 1143230024 /nfs/dbraw/zinc/23/00/24/1143230024.db2.gz HUTHRGTUGNVPQH-HZPDHXFCSA-N 1 3 304.438 2.113 20 0 DEADHO Cc1cncnc1O[C@@H]1CCC[N@H+]([C@@H]2CCCN(C)CC2)C1 ZINC001254531595 1143230059 /nfs/dbraw/zinc/23/00/59/1143230059.db2.gz HUTHRGTUGNVPQH-HZPDHXFCSA-N 1 3 304.438 2.113 20 0 DEADHO c1cc(CN2CCCN([C@@H]3CC4CC[NH+](CC4)C3)CC2)ccn1 ZINC001254853678 1143338736 /nfs/dbraw/zinc/33/87/36/1143338736.db2.gz QWQJXMZZWFCWKM-LJQANCHMSA-N 1 3 314.477 2.074 20 0 DEADHO c1ccc2c(c1)CCN1CC[N@@H+]([C@@H]3CC4CCN(CC4)C3)C[C@@H]21 ZINC001254864854 1143345773 /nfs/dbraw/zinc/34/57/73/1143345773.db2.gz UHLILOZHRAOSLM-QUCCMNQESA-N 1 3 311.473 2.386 20 0 DEADHO c1ccc2c(c1)CCN1CC[N@H+]([C@@H]3CC4CCN(CC4)C3)C[C@@H]21 ZINC001254864854 1143345781 /nfs/dbraw/zinc/34/57/81/1143345781.db2.gz UHLILOZHRAOSLM-QUCCMNQESA-N 1 3 311.473 2.386 20 0 DEADHO CN1CC[C@H](c2nnc([C@H]3CC[N@H+](Cc4ccccc4)C3)o2)C1 ZINC001255422866 1143611335 /nfs/dbraw/zinc/61/13/35/1143611335.db2.gz YMUODNNORBDXOJ-HOTGVXAUSA-N 1 3 312.417 2.478 20 0 DEADHO CN1CC[C@H](c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)C1 ZINC001255422866 1143611353 /nfs/dbraw/zinc/61/13/53/1143611353.db2.gz YMUODNNORBDXOJ-HOTGVXAUSA-N 1 3 312.417 2.478 20 0 DEADHO CNC(=O)C[N@@H+]1CCCC12CCN(C1CCCCCC1)CC2 ZINC001255888334 1143812745 /nfs/dbraw/zinc/81/27/45/1143812745.db2.gz GBTHSEBTKALYOY-UHFFFAOYSA-N 1 3 307.482 2.386 20 0 DEADHO CNC(=O)C[N@H+]1CCCC12CCN(C1CCCCCC1)CC2 ZINC001255888334 1143812746 /nfs/dbraw/zinc/81/27/46/1143812746.db2.gz GBTHSEBTKALYOY-UHFFFAOYSA-N 1 3 307.482 2.386 20 0 DEADHO CCN(CC)CC[C@@H](C)[NH2+]C1CCN(c2ncccn2)CC1 ZINC001255943228 1143815885 /nfs/dbraw/zinc/81/58/85/1143815885.db2.gz KUNYBEITBOKJLK-OAHLLOKOSA-N 1 3 305.470 2.155 20 0 DEADHO CCN(CC)CC[C@H](C)[NH2+]C1CCN(C(=O)NC(C)C)CC1 ZINC001255949824 1143816239 /nfs/dbraw/zinc/81/62/39/1143816239.db2.gz BFOJBSGEPMHVDU-HNNXBMFYSA-N 1 3 312.502 2.279 20 0 DEADHO CCOC(=O)N1CC[C@@H]([NH2+][C@@H](CCN(C)C)c2ccccc2)C1 ZINC001256011985 1143821130 /nfs/dbraw/zinc/82/11/30/1143821130.db2.gz VIFOVLVUBDRVAD-SJORKVTESA-N 1 3 319.449 2.500 20 0 DEADHO Clc1ccnc(C[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256678453 1143861513 /nfs/dbraw/zinc/86/15/13/1143861513.db2.gz WKOLAXLCMSGOQR-UHFFFAOYSA-N 1 3 309.841 2.468 20 0 DEADHO OCC[C@H]1CC12CC[NH+](C1CCC(N3CCOCC3)CC1)CC2 ZINC001256690828 1143862680 /nfs/dbraw/zinc/86/26/80/1143862680.db2.gz LQUHUCHBXILEBI-AOCRQIFASA-N 1 3 322.493 2.114 20 0 DEADHO Clc1ccc(CNC2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC001256850738 1143870316 /nfs/dbraw/zinc/87/03/16/1143870316.db2.gz JSSBCUAMLLKJQV-UHFFFAOYSA-N 1 3 303.797 2.284 20 0 DEADHO CC(C)[C@@H]1C[C@H]([NH2+]C2CC(N)C2)CCN1C(=O)OC(C)(C)C ZINC001257178482 1143891965 /nfs/dbraw/zinc/89/19/65/1143891965.db2.gz HBTXAWUMEFUSRT-JYVUQVBGSA-N 1 3 311.470 2.490 20 0 DEADHO CN1CCN(Cc2ccccc2C[NH2+][C@@H]2CCCSC2)CC1 ZINC001257658850 1143942351 /nfs/dbraw/zinc/94/23/51/1143942351.db2.gz FPJSEJUAPSLVAO-GOSISDBHSA-N 1 3 319.518 2.419 20 0 DEADHO C(C1CCOCC1)N1CCC([NH2+]C2CCC3(COC3)CC2)CC1 ZINC001257902202 1143958761 /nfs/dbraw/zinc/95/87/61/1143958761.db2.gz QUUSSJMPKQKZTL-UHFFFAOYSA-N 1 3 322.493 2.426 20 0 DEADHO CC(C)C[NH+]1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC001258014491 1143965837 /nfs/dbraw/zinc/96/58/37/1143965837.db2.gz LZVCTUDNASVHOO-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](CNCCC(=O)Nc2ccccc2F)C1 ZINC001353277825 1151820977 /nfs/dbraw/zinc/82/09/77/1151820977.db2.gz MRYXSALHWJSGSS-AWEZNQCLSA-N 1 3 307.413 2.474 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](CNCCC(=O)Nc2ccccc2F)C1 ZINC001353277825 1151820980 /nfs/dbraw/zinc/82/09/80/1151820980.db2.gz MRYXSALHWJSGSS-AWEZNQCLSA-N 1 3 307.413 2.474 20 0 DEADHO C[C@H](CN)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC000382022696 1144385643 /nfs/dbraw/zinc/38/56/43/1144385643.db2.gz YRJVPZXNRJTLNG-KGLIPLIRSA-N 1 3 311.470 2.493 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]CCC(F)(F)F)C1)N(C)C ZINC001265612877 1144717818 /nfs/dbraw/zinc/71/78/18/1144717818.db2.gz DBTHREHJNBTVOZ-QWHCGFSZSA-N 1 3 323.403 2.107 20 0 DEADHO CN(CC(=O)N1CCCC[C@H]1C[NH2+]C/C=C/Cl)C1CCC1 ZINC001265674030 1144725804 /nfs/dbraw/zinc/72/58/04/1144725804.db2.gz QHTAJODDEGMMAH-BOSPYUDASA-N 1 3 313.873 2.194 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)CC[C@H](C)F ZINC001265933024 1144762232 /nfs/dbraw/zinc/76/22/32/1144762232.db2.gz DJBVGGLVRQORBC-JKSUJKDBSA-N 1 3 315.477 2.436 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[N@H+](C)CC[C@H](C)F ZINC001265933024 1144762233 /nfs/dbraw/zinc/76/22/33/1144762233.db2.gz DJBVGGLVRQORBC-JKSUJKDBSA-N 1 3 315.477 2.436 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CCC2CCCC2)C1)N(C)C ZINC001265989724 1144778520 /nfs/dbraw/zinc/77/85/20/1144778520.db2.gz HJKJXNPNBBDJGL-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](CC[NH2+]CC2CCCCC2)C1 ZINC001280207207 1144833581 /nfs/dbraw/zinc/83/35/81/1144833581.db2.gz HBWJGWPOQLRNOX-MRXNPFEDSA-N 1 3 318.465 2.361 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CC2CCCC2)C1)N(C)C ZINC001280263848 1144834626 /nfs/dbraw/zinc/83/46/26/1144834626.db2.gz NQORLJNSKFDKHH-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](NC(=O)CN1CC[C@H](C)C1)C1C[NH+](CC2=CCCCC2)C1 ZINC001282745176 1145159886 /nfs/dbraw/zinc/15/98/86/1145159886.db2.gz VDQGSKLVMJIGJL-JKSUJKDBSA-N 1 3 319.493 2.265 20 0 DEADHO CC[N@H+](C)C[C@@H](O)CN1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001364544182 1145330763 /nfs/dbraw/zinc/33/07/63/1145330763.db2.gz CUGURIZEOOSPCV-SJLPKXTDSA-N 1 3 306.450 2.102 20 0 DEADHO CC[N@@H+](C)C[C@@H](O)CN1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001364544182 1145330770 /nfs/dbraw/zinc/33/07/70/1145330770.db2.gz CUGURIZEOOSPCV-SJLPKXTDSA-N 1 3 306.450 2.102 20 0 DEADHO CC[NH+](CC)CC[C@H](C)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC001364606226 1145374290 /nfs/dbraw/zinc/37/42/90/1145374290.db2.gz QNWDHJNWDMSDSF-DOTOQJQBSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC001364870184 1145643032 /nfs/dbraw/zinc/64/30/32/1145643032.db2.gz CRCZWONXQRQXGH-KLHKWILBSA-N 1 3 307.482 2.242 20 0 DEADHO CC[NH+]1CCC(CNCc2cc(C)nc(N3CCCC3)n2)CC1 ZINC001364969146 1145720762 /nfs/dbraw/zinc/72/07/62/1145720762.db2.gz POSYDJPQHBNXRE-UHFFFAOYSA-N 1 3 317.481 2.207 20 0 DEADHO CC1CCN(CCNC(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC001365303742 1145842707 /nfs/dbraw/zinc/84/27/07/1145842707.db2.gz GNLOCXZKOLHHMZ-UHFFFAOYSA-N 1 3 324.513 2.280 20 0 DEADHO CC[C@@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@@H]1C ZINC001365417242 1145867847 /nfs/dbraw/zinc/86/78/47/1145867847.db2.gz XHWBMXRGPKSQLQ-ARFHVFGLSA-N 1 3 312.502 2.088 20 0 DEADHO CC[C@@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@@H]1C ZINC001365417242 1145867850 /nfs/dbraw/zinc/86/78/50/1145867850.db2.gz XHWBMXRGPKSQLQ-ARFHVFGLSA-N 1 3 312.502 2.088 20 0 DEADHO CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CN(C)C3CCC3)C(C)(C)[C@H]21 ZINC001365869712 1146035071 /nfs/dbraw/zinc/03/50/71/1146035071.db2.gz FHYYCTGBVKTPMP-PVAVHDDUSA-N 1 3 307.482 2.096 20 0 DEADHO CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CN(C)C3CCC3)C(C)(C)[C@H]21 ZINC001365869712 1146035076 /nfs/dbraw/zinc/03/50/76/1146035076.db2.gz FHYYCTGBVKTPMP-PVAVHDDUSA-N 1 3 307.482 2.096 20 0 DEADHO CN(CC(=O)N1CC[C@@H](C[NH2+]CCCC2CCC2)C1)C1CCC1 ZINC001491811522 1146931057 /nfs/dbraw/zinc/93/10/57/1146931057.db2.gz FIFMVOVKBIZCGV-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cncs2)C1 ZINC001491894556 1146963237 /nfs/dbraw/zinc/96/32/37/1146963237.db2.gz ANSXVHFWARDZAS-ZIAGYGMSSA-N 1 3 324.494 2.000 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001366104393 1147056922 /nfs/dbraw/zinc/05/69/22/1147056922.db2.gz PSVXCTVRHROKNL-PBHICJAKSA-N 1 3 321.440 2.417 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001366129945 1147069980 /nfs/dbraw/zinc/06/99/80/1147069980.db2.gz DEAKHOXTTPXKDM-NQNKBUKLSA-N 1 3 307.482 2.001 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCC(C)CC3)C[C@H]21 ZINC001366236826 1147145355 /nfs/dbraw/zinc/14/53/55/1147145355.db2.gz HUKQSCTVDDPNGL-LINSHTSCSA-N 1 3 321.509 2.199 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCC(C)CC3)C[C@H]21 ZINC001366236826 1147145357 /nfs/dbraw/zinc/14/53/57/1147145357.db2.gz HUKQSCTVDDPNGL-LINSHTSCSA-N 1 3 321.509 2.199 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001366312830 1147206026 /nfs/dbraw/zinc/20/60/26/1147206026.db2.gz SRGNQMGLNREWLM-INIZCTEOSA-N 1 3 317.477 2.464 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@H](C)NCc1cc2ccccc2o1 ZINC001366347415 1147226782 /nfs/dbraw/zinc/22/67/82/1147226782.db2.gz WTJNMXZYNKIVFJ-AWEZNQCLSA-N 1 3 317.433 2.369 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)NCc1cc2ccccc2o1 ZINC001366347415 1147226786 /nfs/dbraw/zinc/22/67/86/1147226786.db2.gz WTJNMXZYNKIVFJ-AWEZNQCLSA-N 1 3 317.433 2.369 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2cccc(C)c2)C1 ZINC001366414608 1147258480 /nfs/dbraw/zinc/25/84/80/1147258480.db2.gz YYGNVFPBLHRREB-SFHVURJKSA-N 1 3 317.477 2.275 20 0 DEADHO C[C@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)NCc1nccs1 ZINC001366468478 1147297841 /nfs/dbraw/zinc/29/78/41/1147297841.db2.gz AEBAUIXUVNKTOD-CYBMUJFWSA-N 1 3 324.494 2.002 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCC1)N(CC)CC ZINC001366663649 1147456610 /nfs/dbraw/zinc/45/66/10/1147456610.db2.gz BJPAFWBSPGEDPZ-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1CCC1)N(CC)CC ZINC001366663649 1147456619 /nfs/dbraw/zinc/45/66/19/1147456619.db2.gz BJPAFWBSPGEDPZ-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCCN1Cc1csc(C)c1 ZINC001366676769 1147473704 /nfs/dbraw/zinc/47/37/04/1147473704.db2.gz WHRFTQHOWNCEIH-INIZCTEOSA-N 1 3 323.506 2.479 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN1Cc1csc(C)c1 ZINC001366676769 1147473711 /nfs/dbraw/zinc/47/37/11/1147473711.db2.gz WHRFTQHOWNCEIH-INIZCTEOSA-N 1 3 323.506 2.479 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CC[N@H+](Cc3ccsc3)C2)C1 ZINC001366693702 1147488038 /nfs/dbraw/zinc/48/80/38/1147488038.db2.gz CELVDVIKKADYNU-CABCVRRESA-N 1 3 321.490 2.028 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CC[N@@H+](Cc3ccsc3)C2)C1 ZINC001366693702 1147488045 /nfs/dbraw/zinc/48/80/45/1147488045.db2.gz CELVDVIKKADYNU-CABCVRRESA-N 1 3 321.490 2.028 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](CCC(C)C)C1CC1 ZINC001366763848 1147549498 /nfs/dbraw/zinc/54/94/98/1147549498.db2.gz YWKXYOQEHGDUAI-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](CCC(C)C)C1CC1 ZINC001366763848 1147549503 /nfs/dbraw/zinc/54/95/03/1147549503.db2.gz YWKXYOQEHGDUAI-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CC[NH2+][C@@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001366779294 1147555732 /nfs/dbraw/zinc/55/57/32/1147555732.db2.gz ABICSPNCVNMSOH-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[NH2+][C@H](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001366779402 1147555864 /nfs/dbraw/zinc/55/58/64/1147555864.db2.gz FVYLAOHMWBJANP-HZPDHXFCSA-N 1 3 309.498 2.201 20 0 DEADHO CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)C1CCC1 ZINC001316699907 1147565991 /nfs/dbraw/zinc/56/59/91/1147565991.db2.gz LAQZXHWBCSNCFH-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001366865610 1147598762 /nfs/dbraw/zinc/59/87/62/1147598762.db2.gz LIRMZMPWRAOUHO-SJORKVTESA-N 1 3 309.498 2.155 20 0 DEADHO CC(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001366865610 1147598764 /nfs/dbraw/zinc/59/87/64/1147598764.db2.gz LIRMZMPWRAOUHO-SJORKVTESA-N 1 3 309.498 2.155 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)CCC2CC2)CC1 ZINC001366873016 1147601237 /nfs/dbraw/zinc/60/12/37/1147601237.db2.gz OLRWVMGVZLOTHU-KRWDZBQOSA-N 1 3 307.482 2.051 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CCC2CC2)CC1 ZINC001366873016 1147601239 /nfs/dbraw/zinc/60/12/39/1147601239.db2.gz OLRWVMGVZLOTHU-KRWDZBQOSA-N 1 3 307.482 2.051 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC001366901805 1147614128 /nfs/dbraw/zinc/61/41/28/1147614128.db2.gz NRWNCOSXAXOWJT-SFHVURJKSA-N 1 3 317.477 2.152 20 0 DEADHO CC[N@H+](CCCNC(=O)[C@H]1CCCN1C)Cc1cccc(F)c1 ZINC001316896129 1147625917 /nfs/dbraw/zinc/62/59/17/1147625917.db2.gz FTCJXHPEJOKLMJ-QGZVFWFLSA-N 1 3 321.440 2.248 20 0 DEADHO CC[N@@H+](CCCNC(=O)[C@H]1CCCN1C)Cc1cccc(F)c1 ZINC001316896129 1147625919 /nfs/dbraw/zinc/62/59/19/1147625919.db2.gz FTCJXHPEJOKLMJ-QGZVFWFLSA-N 1 3 321.440 2.248 20 0 DEADHO CC(C)(C(=O)NCC1C[NH+](CCC2CCCC2)C1)N1CCCC1 ZINC001366972959 1147627011 /nfs/dbraw/zinc/62/70/11/1147627011.db2.gz KPUYDDLZPHDPEL-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H](C)CNC/C(Cl)=C/Cl)[NH+](C)C ZINC001367296250 1147675016 /nfs/dbraw/zinc/67/50/16/1147675016.db2.gz YCIJNWFRIWDTSO-VWVDBLKVSA-N 1 3 324.296 2.234 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCCC(F)(F)F)C1)N(C)C ZINC001317091101 1147658660 /nfs/dbraw/zinc/65/86/60/1147658660.db2.gz KJOGDRSZMSRTNN-JHJVBQTASA-N 1 3 323.403 2.296 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H]([NH2+]CCCCCF)C1 ZINC001317096271 1147659190 /nfs/dbraw/zinc/65/91/90/1147659190.db2.gz CWFOICOETNUXKF-LDKKBFSKSA-N 1 3 313.461 2.236 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccns2)CC1)N(C)C ZINC001367196270 1147662705 /nfs/dbraw/zinc/66/27/05/1147662705.db2.gz DUIVAKGTSTZZHJ-UMVBOHGHSA-N 1 3 324.494 2.000 20 0 DEADHO CC(C)C[C@H](C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001367223497 1147666226 /nfs/dbraw/zinc/66/62/26/1147666226.db2.gz YATDVCVLYNQLPZ-GVDBMIGSSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1cccc(C[NH2+]C[C@@H](C)CNC(=O)CN2CC[C@H](C)C2)c1 ZINC001367270016 1147672314 /nfs/dbraw/zinc/67/23/14/1147672314.db2.gz HNZPJFPMGAEYLH-DLBZAZTESA-N 1 3 317.477 2.179 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC1=CCCCC1 ZINC001317243385 1147681831 /nfs/dbraw/zinc/68/18/31/1147681831.db2.gz XCHFKLXIXPAROL-RDJZCZTQSA-N 1 3 307.482 2.454 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CC1=CCCCC1 ZINC001317259475 1147683466 /nfs/dbraw/zinc/68/34/66/1147683466.db2.gz WSGFERMQYQODIH-OAHLLOKOSA-N 1 3 307.482 2.456 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCC2CCCC2)C1 ZINC001317313310 1147689409 /nfs/dbraw/zinc/68/94/09/1147689409.db2.gz PELICWRSEWEQSG-MSOLQXFVSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N(C)CCNCc2ccsc2)CC[N@@H+]1C ZINC001317621730 1147734107 /nfs/dbraw/zinc/73/41/07/1147734107.db2.gz CTYRWPFZWBTVDR-ZFWWWQNUSA-N 1 3 309.479 2.026 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N(C)CCNCc2ccsc2)CC[N@H+]1C ZINC001317621730 1147734109 /nfs/dbraw/zinc/73/41/09/1147734109.db2.gz CTYRWPFZWBTVDR-ZFWWWQNUSA-N 1 3 309.479 2.026 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCCC(F)(F)C1)N(C)C ZINC001367739054 1147735662 /nfs/dbraw/zinc/73/56/62/1147735662.db2.gz FXKPHGRMNTZMRC-BFHYXJOUSA-N 1 3 319.440 2.246 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[NH2+]Cc1cc2ccccc2o1 ZINC001317653533 1147739455 /nfs/dbraw/zinc/73/94/55/1147739455.db2.gz STAUSWCRBJFQLA-UHFFFAOYSA-N 1 3 317.433 2.323 20 0 DEADHO C[C@H](C[N@H+](C)CC1CC(C)(C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001367802085 1147748963 /nfs/dbraw/zinc/74/89/63/1147748963.db2.gz CZOLMPVSTOCFSX-CQSZACIVSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](C[N@@H+](C)CC1CC(C)(C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001367802085 1147748965 /nfs/dbraw/zinc/74/89/65/1147748965.db2.gz CZOLMPVSTOCFSX-CQSZACIVSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](CN(C)Cc1ccc(F)cc1)NC(=O)CCC[NH+](C)C ZINC001367826251 1147754027 /nfs/dbraw/zinc/75/40/27/1147754027.db2.gz IATLWNAGTGCSRT-CQSZACIVSA-N 1 3 309.429 2.104 20 0 DEADHO CN(C/C=C\Cl)C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001317856288 1147758412 /nfs/dbraw/zinc/75/84/12/1147758412.db2.gz FQQLJUKIPFTWMZ-WUKHSURWSA-N 1 3 315.889 2.251 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccsc1 ZINC001368119903 1148249584 /nfs/dbraw/zinc/24/95/84/1148249584.db2.gz SXGMZSUZBHQNFL-HNNXBMFYSA-N 1 3 309.479 2.171 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC001368158583 1148290229 /nfs/dbraw/zinc/29/02/29/1148290229.db2.gz FJNNLSSTSIQJNR-GOSISDBHSA-N 1 3 303.450 2.109 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCC1(C)CC[NH+](CC2CC2)CC1 ZINC001368200127 1148320624 /nfs/dbraw/zinc/32/06/24/1148320624.db2.gz BWUDOPAKUZIMBR-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000624785814 365549560 /nfs/dbraw/zinc/54/95/60/365549560.db2.gz VOXCUYSBCJAKJW-DOTOQJQBSA-N 1 3 322.497 2.034 20 0 DEADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000624785814 365549566 /nfs/dbraw/zinc/54/95/66/365549566.db2.gz VOXCUYSBCJAKJW-DOTOQJQBSA-N 1 3 322.497 2.034 20 0 DEADHO CC[C@@H](C)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414336810 529374606 /nfs/dbraw/zinc/37/46/06/529374606.db2.gz ZSWLOSYEXQLZAL-CQSZACIVSA-N 1 3 303.450 2.272 20 0 DEADHO COC[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)OC ZINC000278631623 214290516 /nfs/dbraw/zinc/29/05/16/214290516.db2.gz GYYUHHBOABTXMX-FCGDIQPGSA-N 1 3 318.461 2.433 20 0 DEADHO COC[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)OC ZINC000278631623 214290517 /nfs/dbraw/zinc/29/05/17/214290517.db2.gz GYYUHHBOABTXMX-FCGDIQPGSA-N 1 3 318.461 2.433 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000417627840 529446027 /nfs/dbraw/zinc/44/60/27/529446027.db2.gz ONYNJFOPHDLFOB-HIFRSBDPSA-N 1 3 306.454 2.152 20 0 DEADHO C[NH2+]CCCCC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001353508813 1151835297 /nfs/dbraw/zinc/83/52/97/1151835297.db2.gz ORNSJDQUFJDJJQ-RDJZCZTQSA-N 1 3 303.450 2.328 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000440286823 282194388 /nfs/dbraw/zinc/19/43/88/282194388.db2.gz YTLJFLNBDUPORF-USXIJHARSA-N 1 3 307.482 2.382 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000417835848 529610389 /nfs/dbraw/zinc/61/03/89/529610389.db2.gz OHZXDRHKXTYCMI-MSOLQXFVSA-N 1 3 311.429 2.108 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)NCC([NH3+])(CC)CC ZINC000418446412 529613725 /nfs/dbraw/zinc/61/37/25/529613725.db2.gz ZETFFKYQVQYRDN-OAHLLOKOSA-N 1 3 306.454 2.066 20 0 DEADHO CC[C@@H](NC1CCN(c2cc(C)nc(C)n2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422830856 529682494 /nfs/dbraw/zinc/68/24/94/529682494.db2.gz DFLWNADFQUFAKU-SJORKVTESA-N 1 3 317.481 2.182 20 0 DEADHO CCCCN(C)C(=O)C1CC[NH+](CC[C@H]2CCCN2C)CC1 ZINC000179405891 282224358 /nfs/dbraw/zinc/22/43/58/282224358.db2.gz CXYMTMOXJKIKGR-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)[C@@H](C)[NH2+]C2CC2)N(C)C)cc1 ZINC000294738675 529708626 /nfs/dbraw/zinc/70/86/26/529708626.db2.gz JONZUBZIMYGXOE-CXAGYDPISA-N 1 3 303.450 2.108 20 0 DEADHO CN(C)Cc1ccc(C(=O)Nc2ccc(OCC[NH3+])cc2)cc1 ZINC000181434997 199297222 /nfs/dbraw/zinc/29/72/22/199297222.db2.gz YUBDEYNRNOQCJT-UHFFFAOYSA-N 1 3 313.401 2.338 20 0 DEADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C[C@@H](N)c2ccccc2)C1 ZINC000448235527 529861007 /nfs/dbraw/zinc/86/10/07/529861007.db2.gz YJRHLFRIQZTFDZ-FUHWJXTLSA-N 1 3 315.461 2.267 20 0 DEADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C[C@@H](N)c2ccccc2)C1 ZINC000448235527 529861010 /nfs/dbraw/zinc/86/10/10/529861010.db2.gz YJRHLFRIQZTFDZ-FUHWJXTLSA-N 1 3 315.461 2.267 20 0 DEADHO CCN(CCC[NH+](C)C)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000189096308 282307703 /nfs/dbraw/zinc/30/77/03/282307703.db2.gz DHYPBVIGSNYLSS-INIZCTEOSA-N 1 3 312.502 2.090 20 0 DEADHO CN(C[C@H]1CCCN1C)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000422605861 529966401 /nfs/dbraw/zinc/96/64/01/529966401.db2.gz HGICSNKHZCVQST-IAGOWNOFSA-N 1 3 318.465 2.202 20 0 DEADHO CN1CCC(Oc2ccc(CN[C@H]3CCC[C@H]3[NH3+])cc2)CC1 ZINC000423105442 530050924 /nfs/dbraw/zinc/05/09/24/530050924.db2.gz NIFQUWCXZTYVEY-MSOLQXFVSA-N 1 3 303.450 2.129 20 0 DEADHO CC[C@@H](C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1)N(C)C ZINC000615443664 362608439 /nfs/dbraw/zinc/60/84/39/362608439.db2.gz LQXIIKSKXBIETO-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CCC1(CC)[C@H](N[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C[C@@H]1OC ZINC000422926306 282457538 /nfs/dbraw/zinc/45/75/38/282457538.db2.gz CQNTWLKYVNXVPZ-HHARLNAUSA-N 1 3 310.482 2.327 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000247084685 282476839 /nfs/dbraw/zinc/47/68/39/282476839.db2.gz PKWUCJVRNQMKDP-BZUAXINKSA-N 1 3 310.486 2.033 20 0 DEADHO CCN1CC[C@@H](NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000616307527 362823157 /nfs/dbraw/zinc/82/31/57/362823157.db2.gz QXKZRXKTGQPMQF-MSOLQXFVSA-N 1 3 315.461 2.076 20 0 DEADHO CC[C@@H](C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1)N(C)C ZINC000123546711 185817786 /nfs/dbraw/zinc/81/77/86/185817786.db2.gz RAOZCAFKFCDHJD-KRWDZBQOSA-N 1 3 305.466 2.483 20 0 DEADHO CC[C@@H](C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1)N(C)C ZINC000123546711 185817787 /nfs/dbraw/zinc/81/77/87/185817787.db2.gz RAOZCAFKFCDHJD-KRWDZBQOSA-N 1 3 305.466 2.483 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000162265771 539596756 /nfs/dbraw/zinc/59/67/56/539596756.db2.gz VWUOLVXYNCWAGX-STQMWFEESA-N 1 3 315.417 2.494 20 0 DEADHO CC(C)([NH3+])CC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000236584136 539737828 /nfs/dbraw/zinc/73/78/28/539737828.db2.gz ZQDPXDIIDZFIHE-UHFFFAOYSA-N 1 3 321.490 2.344 20 0 DEADHO C[NH+](C)CCCOc1ccc(NC(=O)C2(N)CCCC2)cc1 ZINC000237107855 539743151 /nfs/dbraw/zinc/74/31/51/539743151.db2.gz OZIDCRZDKHXNPG-UHFFFAOYSA-N 1 3 305.422 2.227 20 0 DEADHO CN(C)CCOc1ccc(NC(=O)CC(C)(C)[NH3+])cc1Cl ZINC000237183990 539744041 /nfs/dbraw/zinc/74/40/41/539744041.db2.gz FTFDJXRMKWCIQU-UHFFFAOYSA-N 1 3 313.829 2.346 20 0 DEADHO CC1CCN(CCNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000071923555 191032564 /nfs/dbraw/zinc/03/25/64/191032564.db2.gz ANZYNXHSACKZOM-KRWDZBQOSA-N 1 3 324.513 2.282 20 0 DEADHO CC1CCN(CCNC(=O)NCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000071923555 191032567 /nfs/dbraw/zinc/03/25/67/191032567.db2.gz ANZYNXHSACKZOM-KRWDZBQOSA-N 1 3 324.513 2.282 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000155737497 186108351 /nfs/dbraw/zinc/10/83/51/186108351.db2.gz HTJFYUMOCGEYRD-CJNGLKHVSA-N 1 3 307.438 2.329 20 0 DEADHO CN1CCC2(CCCN2C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000333843924 282981298 /nfs/dbraw/zinc/98/12/98/282981298.db2.gz OUUUNHMPHHKNCC-WKILWMFISA-N 1 3 322.497 2.021 20 0 DEADHO C[C@@H]1CCN[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000309744368 539878509 /nfs/dbraw/zinc/87/85/09/539878509.db2.gz SYVIUSVBVPAVIC-NXHRZFHOSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@@H]1CCN[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000309744368 539878513 /nfs/dbraw/zinc/87/85/13/539878513.db2.gz SYVIUSVBVPAVIC-NXHRZFHOSA-N 1 3 315.461 2.013 20 0 DEADHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)N2CCc3ccccc32)C1 ZINC000173917152 198268687 /nfs/dbraw/zinc/26/86/87/198268687.db2.gz XFMXCLSOOCTMRT-MRXNPFEDSA-N 1 3 315.461 2.239 20 0 DEADHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)N2CCc3ccccc32)C1 ZINC000173917152 198268689 /nfs/dbraw/zinc/26/86/89/198268689.db2.gz XFMXCLSOOCTMRT-MRXNPFEDSA-N 1 3 315.461 2.239 20 0 DEADHO CC(C)C(=O)NCCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000236786694 202008033 /nfs/dbraw/zinc/00/80/33/202008033.db2.gz ARHZPWXFMDDKET-UHFFFAOYSA-N 1 3 317.477 2.055 20 0 DEADHO Fc1cccc(NCCCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423035504 283016874 /nfs/dbraw/zinc/01/68/74/283016874.db2.gz ROABGYZVPSQSSW-KZNAEPCWSA-N 1 3 321.440 2.374 20 0 DEADHO CN1CCC(O)(C[NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000276996851 213228419 /nfs/dbraw/zinc/22/84/19/213228419.db2.gz XTBBMCJAUKYEKN-UHFFFAOYSA-N 1 3 304.434 2.022 20 0 DEADHO [NH3+]CCOCCN1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000357088557 283070787 /nfs/dbraw/zinc/07/07/87/283070787.db2.gz XUJDGNFPQQRKFD-GFCCVEGCSA-N 1 3 319.232 2.422 20 0 DEADHO C[C@H](CNC(=O)[C@H](C)N1CCCCCC1)C[NH+]1CCCCC1 ZINC000074225649 355015806 /nfs/dbraw/zinc/01/58/06/355015806.db2.gz QYWNXAUSFKKVHR-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)[NH+](CCCNC(=O)NC[C@@H]1CCCN(C)C1)C(C)C ZINC000074878865 191376545 /nfs/dbraw/zinc/37/65/45/191376545.db2.gz HAVGSQOKURJBLP-INIZCTEOSA-N 1 3 312.502 2.136 20 0 DEADHO O[C@@H]1[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)CCCC1(F)F ZINC000414540227 540156037 /nfs/dbraw/zinc/15/60/37/540156037.db2.gz UACTZZZJJVBENC-LSDHHAIUSA-N 1 3 311.376 2.189 20 0 DEADHO CN1CC[C@@]2(CCN(C(=O)NCC[NH2+]C3CCCCCC3)C2)C1 ZINC000418439894 283102908 /nfs/dbraw/zinc/10/29/08/283102908.db2.gz GLKUJQHXHBOVJJ-GOSISDBHSA-N 1 3 322.497 2.036 20 0 DEADHO O[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)C1CCOCC1 ZINC000090056407 355554670 /nfs/dbraw/zinc/55/46/70/355554670.db2.gz CTEHJDZOOGSOKC-SFHVURJKSA-N 1 3 310.482 2.161 20 0 DEADHO O[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)C1CCOCC1 ZINC000090056407 355554671 /nfs/dbraw/zinc/55/46/71/355554671.db2.gz CTEHJDZOOGSOKC-SFHVURJKSA-N 1 3 310.482 2.161 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000452567997 540193645 /nfs/dbraw/zinc/19/36/45/540193645.db2.gz ATTUARMXFQAMRC-HOTGVXAUSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000452567997 540193648 /nfs/dbraw/zinc/19/36/48/540193648.db2.gz ATTUARMXFQAMRC-HOTGVXAUSA-N 1 3 307.482 2.194 20 0 DEADHO Cc1ccc(F)c(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000119739752 355788169 /nfs/dbraw/zinc/78/81/69/355788169.db2.gz VFIFGMJSGVCEQW-UHFFFAOYSA-N 1 3 310.417 2.091 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000126302217 355816460 /nfs/dbraw/zinc/81/64/60/355816460.db2.gz SKYTWZZBGITITA-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C12CCCN1CCC2 ZINC000370526248 283126167 /nfs/dbraw/zinc/12/61/67/283126167.db2.gz CJVSYZAMSKVKSJ-XHSDSOJGSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C12CCCN1CCC2 ZINC000370526248 283126171 /nfs/dbraw/zinc/12/61/71/283126171.db2.gz CJVSYZAMSKVKSJ-XHSDSOJGSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@@H](N)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000130413389 355842243 /nfs/dbraw/zinc/84/22/43/355842243.db2.gz UKCIFXLHZUZORM-QGZVFWFLSA-N 1 3 303.450 2.416 20 0 DEADHO c1ccc(CCN2CCN(CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000143689397 355900545 /nfs/dbraw/zinc/90/05/45/355900545.db2.gz XJPGEHPKFSUYPY-LJQANCHMSA-N 1 3 301.478 2.236 20 0 DEADHO CC(C)[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000399366592 283151995 /nfs/dbraw/zinc/15/19/95/283151995.db2.gz JICLCWWYRSHLJW-MAUKXSAKSA-N 1 3 317.477 2.387 20 0 DEADHO CC(C)[C@H](C(=O)Nc1ccc(OCCN(C)C)cc1)[C@@H](C)[NH3+] ZINC000399674822 283153770 /nfs/dbraw/zinc/15/37/70/283153770.db2.gz TWOJQYSKCXHVLU-CJNGLKHVSA-N 1 3 307.438 2.185 20 0 DEADHO CN1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC000346337758 283168455 /nfs/dbraw/zinc/16/84/55/283168455.db2.gz ZMNHMETZDIYDAO-APWZRJJASA-N 1 3 319.493 2.195 20 0 DEADHO CN1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC000346337758 283168458 /nfs/dbraw/zinc/16/84/58/283168458.db2.gz ZMNHMETZDIYDAO-APWZRJJASA-N 1 3 319.493 2.195 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](N)CCSC)c1ccccc1 ZINC000236827475 202028702 /nfs/dbraw/zinc/02/87/02/202028702.db2.gz ZTDPMJLROARUKX-HOTGVXAUSA-N 1 3 323.506 2.266 20 0 DEADHO CCC[C@H](N)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000236842603 202033866 /nfs/dbraw/zinc/03/38/66/202033866.db2.gz IMKLYKNXKMRTTI-YOEHRIQHSA-N 1 3 303.450 2.456 20 0 DEADHO CCC[C@H]([NH3+])C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000236870796 202044697 /nfs/dbraw/zinc/04/46/97/202044697.db2.gz RTEWRVGYLOQOMD-IRXDYDNUSA-N 1 3 303.450 2.285 20 0 DEADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)C(C)C ZINC000236895515 202058514 /nfs/dbraw/zinc/05/85/14/202058514.db2.gz IEHZHGQRUMZHKP-MSOLQXFVSA-N 1 3 317.477 2.340 20 0 DEADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)C(C)C ZINC000236895515 202058516 /nfs/dbraw/zinc/05/85/16/202058516.db2.gz IEHZHGQRUMZHKP-MSOLQXFVSA-N 1 3 317.477 2.340 20 0 DEADHO CCC[C@H](N)C(=O)Nc1ccccc1OCC[NH+](CC)CC ZINC000236941540 202082339 /nfs/dbraw/zinc/08/23/39/202082339.db2.gz KPMULKGEQDDWFF-AWEZNQCLSA-N 1 3 307.438 2.473 20 0 DEADHO CCC[C@H](N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236929050 202076910 /nfs/dbraw/zinc/07/69/10/202076910.db2.gz FAAVNJAPUKGAON-XIRDDKMYSA-N 1 3 303.450 2.283 20 0 DEADHO CCC[C@H](N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236929050 202076913 /nfs/dbraw/zinc/07/69/13/202076913.db2.gz FAAVNJAPUKGAON-XIRDDKMYSA-N 1 3 303.450 2.283 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)CC1CC[NH2+]CC1 ZINC000423768702 283198703 /nfs/dbraw/zinc/19/87/03/283198703.db2.gz DJSRMKVLEKGTKX-UHFFFAOYSA-N 1 3 309.479 2.028 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000382745687 356677860 /nfs/dbraw/zinc/67/78/60/356677860.db2.gz SUEXENFRUDULPZ-WMZOPIPTSA-N 1 3 317.477 2.340 20 0 DEADHO CC(C)[NH2+]CCC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000382729108 356677891 /nfs/dbraw/zinc/67/78/91/356677891.db2.gz YHIUXGFXOLTIIJ-QGZVFWFLSA-N 1 3 317.477 2.498 20 0 DEADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000382765028 356677921 /nfs/dbraw/zinc/67/79/21/356677921.db2.gz ROLUJGUOGWDECV-XYJFISCASA-N 1 3 315.461 2.107 20 0 DEADHO C[NH2+]CCCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000237117323 202159692 /nfs/dbraw/zinc/15/96/92/202159692.db2.gz VVVKQIISVOSTLS-FUHWJXTLSA-N 1 3 317.477 2.498 20 0 DEADHO CC(C)[NH+]1CCC(NC[C@@H](O)COCc2cccs2)CC1 ZINC000387387704 356703794 /nfs/dbraw/zinc/70/37/94/356703794.db2.gz IUAIVUKDIMHXDW-OAHLLOKOSA-N 1 3 312.479 2.088 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNCCC(N)=O)C1 ZINC000578064078 356755251 /nfs/dbraw/zinc/75/52/51/356755251.db2.gz REBCDHSAYVFNFG-HUUCEWRRSA-N 1 3 303.450 2.130 20 0 DEADHO CN(C)[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1ccccc1 ZINC000237196944 202184885 /nfs/dbraw/zinc/18/48/85/202184885.db2.gz YALLESHVDGQUFC-XLAORIBOSA-N 1 3 315.461 2.326 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](C)[C@@H]3C)CC2)CC1 ZINC000578377348 356806530 /nfs/dbraw/zinc/80/65/30/356806530.db2.gz MLKCEFCYYXBZIQ-CVEARBPZSA-N 1 3 321.509 2.440 20 0 DEADHO N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000578519542 356831010 /nfs/dbraw/zinc/83/10/10/356831010.db2.gz VOUNSTIWORJOTQ-ZIAGYGMSSA-N 1 3 305.813 2.280 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000581640172 357219584 /nfs/dbraw/zinc/21/95/84/357219584.db2.gz DAPAVMPWOOGCGG-RBSFLKMASA-N 1 3 310.486 2.031 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000581640172 357219586 /nfs/dbraw/zinc/21/95/86/357219586.db2.gz DAPAVMPWOOGCGG-RBSFLKMASA-N 1 3 310.486 2.031 20 0 DEADHO CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CCC([C@H](C)[NH3+])CC1 ZINC000430950173 283257507 /nfs/dbraw/zinc/25/75/07/283257507.db2.gz GKYVIWYEPFHWJT-SUMWQHHRSA-N 1 3 319.449 2.472 20 0 DEADHO C[C@H](CC(=O)N1CCCCCC1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995157 540377046 /nfs/dbraw/zinc/37/70/46/540377046.db2.gz DYYYWDACFRTPTF-HZPDHXFCSA-N 1 3 307.482 2.432 20 0 DEADHO C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995157 540377050 /nfs/dbraw/zinc/37/70/50/540377050.db2.gz DYYYWDACFRTPTF-HZPDHXFCSA-N 1 3 307.482 2.432 20 0 DEADHO CCOC(=O)N[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)CC(C)C ZINC000192638457 535399919 /nfs/dbraw/zinc/39/99/19/535399919.db2.gz JQGJYWIPFASYTO-PNRVRQOCSA-N 1 3 311.470 2.362 20 0 DEADHO CCOC(=O)N[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)CC(C)C ZINC000192638457 535399923 /nfs/dbraw/zinc/39/99/23/535399923.db2.gz JQGJYWIPFASYTO-PNRVRQOCSA-N 1 3 311.470 2.362 20 0 DEADHO CCN(CC[NH3+])C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000626994479 366395893 /nfs/dbraw/zinc/39/58/93/366395893.db2.gz FPRCTSDVBDQSIG-NVXWUHKLSA-N 1 3 318.465 2.030 20 0 DEADHO COC(=O)c1ccc(CNCC2CC[NH+](CC3CC3)CC2)[nH]1 ZINC000597248313 358869527 /nfs/dbraw/zinc/86/95/27/358869527.db2.gz PZKPTVZRLBFQDL-UHFFFAOYSA-N 1 3 305.422 2.013 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000667451396 540457628 /nfs/dbraw/zinc/45/76/28/540457628.db2.gz MQPZVNYPXOVDMP-HNNXBMFYSA-N 1 3 304.438 2.054 20 0 DEADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1oc2ccccc2c1CN(C)C ZINC000186873720 200024961 /nfs/dbraw/zinc/02/49/61/200024961.db2.gz RDWAFPJDICRYIN-WFASDCNBSA-N 1 3 315.417 2.222 20 0 DEADHO Cc1ccncc1CNC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000280990254 216006715 /nfs/dbraw/zinc/00/67/15/216006715.db2.gz UZVDNSXIGIZLCU-UHFFFAOYSA-N 1 3 302.466 2.038 20 0 DEADHO COC[C@@H](C)Oc1ccc(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000668077632 540579822 /nfs/dbraw/zinc/57/98/22/540579822.db2.gz TULDMAHBUJQNPD-OIISXLGYSA-N 1 3 304.434 2.094 20 0 DEADHO COC[C@@H](C)Oc1ccc(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000668077632 540579825 /nfs/dbraw/zinc/57/98/25/540579825.db2.gz TULDMAHBUJQNPD-OIISXLGYSA-N 1 3 304.434 2.094 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)N(C)C ZINC000187467504 200116057 /nfs/dbraw/zinc/11/60/57/200116057.db2.gz DLFREYWNBKIFCH-MSOLQXFVSA-N 1 3 317.477 2.353 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)N(C)C ZINC000187467504 200116059 /nfs/dbraw/zinc/11/60/59/200116059.db2.gz DLFREYWNBKIFCH-MSOLQXFVSA-N 1 3 317.477 2.353 20 0 DEADHO C[NH+]1CCC([C@H]2CCN(Cc3ccnn3CC3CC3)C2)CC1 ZINC000668169287 540606162 /nfs/dbraw/zinc/60/61/62/540606162.db2.gz MTXCCDLRCCOASY-KRWDZBQOSA-N 1 3 302.466 2.457 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)C1[C@H]2CCCCCC[C@H]12 ZINC000668302546 540642648 /nfs/dbraw/zinc/64/26/48/540642648.db2.gz JSFGIHDHXCWIGL-HOTGVXAUSA-N 1 3 309.498 2.155 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C[C@@H](N)c1ccccc1 ZINC000237673725 202325725 /nfs/dbraw/zinc/32/57/25/202325725.db2.gz STHYIQLNAAYWMK-NVXWUHKLSA-N 1 3 303.450 2.457 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C[C@@H](N)c1ccccc1 ZINC000237673725 202325729 /nfs/dbraw/zinc/32/57/29/202325729.db2.gz STHYIQLNAAYWMK-NVXWUHKLSA-N 1 3 303.450 2.457 20 0 DEADHO N[C@H](CC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000237843569 202369203 /nfs/dbraw/zinc/36/92/03/202369203.db2.gz ZOQFIJXQSMHSGO-NVXWUHKLSA-N 1 3 301.434 2.021 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000188692548 200288670 /nfs/dbraw/zinc/28/86/70/200288670.db2.gz LCXUCZAGUDBPCM-UHFFFAOYSA-N 1 3 309.413 2.281 20 0 DEADHO C[C@@H]1C[N@@H+](Cc2ccc(OCCN(C)C)cc2)C[C@H](C)[C@H]1O ZINC000668555596 540686869 /nfs/dbraw/zinc/68/68/69/540686869.db2.gz ZVCAHLVAJDEISP-HWWDLCQESA-N 1 3 306.450 2.076 20 0 DEADHO C[C@@H]1C[N@H+](Cc2ccc(OCCN(C)C)cc2)C[C@H](C)[C@H]1O ZINC000668555596 540686873 /nfs/dbraw/zinc/68/68/73/540686873.db2.gz ZVCAHLVAJDEISP-HWWDLCQESA-N 1 3 306.450 2.076 20 0 DEADHO C[NH+](C)CCC(=O)N[C@@H]1CC[C@H](CNC/C(Cl)=C/Cl)C1 ZINC001369416861 1148960721 /nfs/dbraw/zinc/96/07/21/1148960721.db2.gz HLKUKTYLIDJIHJ-PPHUXIPZSA-N 1 3 322.280 2.132 20 0 DEADHO C[C@@H]1CCc2ccccc2N1C(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000443063857 238101076 /nfs/dbraw/zinc/10/10/76/238101076.db2.gz XHTKZDNEZFZEKD-CVEARBPZSA-N 1 3 315.461 2.415 20 0 DEADHO C[C@H](NC(=O)N1CC[C@H](N2CCCCC2)C1)C(C)(C)C[NH+](C)C ZINC000443223243 238109868 /nfs/dbraw/zinc/10/98/68/238109868.db2.gz GETPCNGYVKUVLV-HOTGVXAUSA-N 1 3 324.513 2.233 20 0 DEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000449329286 240364392 /nfs/dbraw/zinc/36/43/92/240364392.db2.gz NDZLLVYGCRINDG-FGTMMUONSA-N 1 3 317.477 2.183 20 0 DEADHO [NH3+][C@H](CCC(=O)Nc1cnc2c(c1)CNCC2)c1ccccc1 ZINC000669513327 540849609 /nfs/dbraw/zinc/84/96/09/540849609.db2.gz BCBMPLWQLXFWFV-MRXNPFEDSA-N 1 3 310.401 2.146 20 0 DEADHO C[C@H](C[NH3+])CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669484023 540841712 /nfs/dbraw/zinc/84/17/12/540841712.db2.gz YUVHFVQVYRDIAU-WBVHZDCISA-N 1 3 318.465 2.108 20 0 DEADHO C[C@H](NC(=O)NC[C@H]1CCCC[NH2+]1)[C@H](c1ccccc1)N(C)C ZINC000669583559 540869292 /nfs/dbraw/zinc/86/92/92/540869292.db2.gz XIDULYNRWXSNGO-USXIJHARSA-N 1 3 318.465 2.119 20 0 DEADHO C[C@@H](NC(=O)NC[C@H](C)N1CCC(C)CC1)C1CC[NH+](C)CC1 ZINC000606659943 361030665 /nfs/dbraw/zinc/03/06/65/361030665.db2.gz DWZQISVLBNRMBC-JKSUJKDBSA-N 1 3 324.513 2.136 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H](C)C1CC1 ZINC000608653400 361245983 /nfs/dbraw/zinc/24/59/83/361245983.db2.gz YUNWEQKVFAIRQX-RDJZCZTQSA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H](C)C1CC1 ZINC000608653400 361245989 /nfs/dbraw/zinc/24/59/89/361245989.db2.gz YUNWEQKVFAIRQX-RDJZCZTQSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc2c(c1)CC(=O)N2C ZINC000271877497 209289021 /nfs/dbraw/zinc/28/90/21/209289021.db2.gz YBVPZZCKEFHKTJ-CJNGLKHVSA-N 1 3 301.434 2.340 20 0 DEADHO O=C(N[C@@H]1CCN(CC2CC2)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000673962848 541167352 /nfs/dbraw/zinc/16/73/52/541167352.db2.gz NEIVKBKMHXJSKM-DLBZAZTESA-N 1 3 319.493 2.242 20 0 DEADHO O=C(N[C@@H]1CCN(CC2CC2)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000673962848 541167353 /nfs/dbraw/zinc/16/73/53/541167353.db2.gz NEIVKBKMHXJSKM-DLBZAZTESA-N 1 3 319.493 2.242 20 0 DEADHO CC(C)CC[NH+]1CCC(CNC(=O)N[C@H]2CCCN(C)C2)CC1 ZINC000674328546 541205116 /nfs/dbraw/zinc/20/51/16/541205116.db2.gz OGPOBCGWTMUSCJ-KRWDZBQOSA-N 1 3 324.513 2.138 20 0 DEADHO CCCN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000619900706 363899383 /nfs/dbraw/zinc/89/93/83/363899383.db2.gz YFKGGNAPFCXYHP-HOTGVXAUSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000619900706 363899387 /nfs/dbraw/zinc/89/93/87/363899387.db2.gz YFKGGNAPFCXYHP-HOTGVXAUSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C)C[C@@H]1CN(C(=O)CCCC[NH+](C)C)c2ccccc2O1 ZINC000675512457 541350163 /nfs/dbraw/zinc/35/01/63/541350163.db2.gz PBTVYCJOPJQNSX-OAHLLOKOSA-N 1 3 319.449 2.074 20 0 DEADHO CCCc1ccc(C[NH2+]CCCN2CCC[C@H](C(N)=O)C2)s1 ZINC000621334433 364356284 /nfs/dbraw/zinc/35/62/84/364356284.db2.gz FWAXOGUZXGTUMW-AWEZNQCLSA-N 1 3 323.506 2.378 20 0 DEADHO CC(C)(C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)[C@@H](N)c1ccccc1 ZINC000621683293 364505019 /nfs/dbraw/zinc/50/50/19/364505019.db2.gz SUWRFNGOFRYBAB-RLFYNMQTSA-N 1 3 301.434 2.052 20 0 DEADHO CCCN(C(=O)Nc1cccc(CN(C)C)c1)[C@H]1CC[NH2+]C1 ZINC000623056870 364871268 /nfs/dbraw/zinc/87/12/68/364871268.db2.gz PYKQNLAMLOTQMF-INIZCTEOSA-N 1 3 304.438 2.354 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+][C@H]2CCN(CC3CC3)C2)[C@H](C)C1 ZINC000675833696 541389367 /nfs/dbraw/zinc/38/93/67/541389367.db2.gz NHHAEPYHWWEADY-NEWSRXKRSA-N 1 3 323.525 2.197 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000623072354 364875260 /nfs/dbraw/zinc/87/52/60/364875260.db2.gz YUPFLFJMHLZDER-HUUCEWRRSA-N 1 3 302.422 2.140 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000449098955 240050433 /nfs/dbraw/zinc/05/04/33/240050433.db2.gz LLUVKCJKUSNMSR-VBQJREDUSA-N 1 3 301.434 2.079 20 0 DEADHO C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121337 365296697 /nfs/dbraw/zinc/29/66/97/365296697.db2.gz UEPLABAFRYQUMS-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H](CC(=O)N1CCCCCC1)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624121337 365296703 /nfs/dbraw/zinc/29/67/03/365296703.db2.gz UEPLABAFRYQUMS-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H](CC(=O)N1CCCCCC1)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624121337 365296709 /nfs/dbraw/zinc/29/67/09/365296709.db2.gz UEPLABAFRYQUMS-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)CO2 ZINC000624123658 365298581 /nfs/dbraw/zinc/29/85/81/365298581.db2.gz PXBYYZUJYZSSOX-GDBMZVCRSA-N 1 3 304.434 2.320 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc[nH]c2=O)[C@@H](C)C1 ZINC000624258189 365357911 /nfs/dbraw/zinc/35/79/11/365357911.db2.gz BSVHBJCLUYPRIO-GOEBONIOSA-N 1 3 307.438 2.014 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000624380694 365403041 /nfs/dbraw/zinc/40/30/41/365403041.db2.gz OYRHAPYVMCSHDB-WBVHZDCISA-N 1 3 322.497 2.177 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000624380694 365403043 /nfs/dbraw/zinc/40/30/43/365403043.db2.gz OYRHAPYVMCSHDB-WBVHZDCISA-N 1 3 322.497 2.177 20 0 DEADHO CC[N@H+](CCCNC(=O)NC[C@H]1CCCN1C)C1CCCCC1 ZINC000624295069 365370446 /nfs/dbraw/zinc/37/04/46/365370446.db2.gz ROWMEYNQZJKIRP-QGZVFWFLSA-N 1 3 324.513 2.425 20 0 DEADHO CC[N@@H+](CCCNC(=O)NC[C@H]1CCCN1C)C1CCCCC1 ZINC000624295069 365370455 /nfs/dbraw/zinc/37/04/55/365370455.db2.gz ROWMEYNQZJKIRP-QGZVFWFLSA-N 1 3 324.513 2.425 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000624608621 365486740 /nfs/dbraw/zinc/48/67/40/365486740.db2.gz DMWJOIRZNAJBJW-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000624608621 365486746 /nfs/dbraw/zinc/48/67/46/365486746.db2.gz DMWJOIRZNAJBJW-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H]1CCCN1CC(F)F ZINC000629520619 367233447 /nfs/dbraw/zinc/23/34/47/367233447.db2.gz XCYASXXBAVCHQZ-BXUZGUMPSA-N 1 3 312.408 2.229 20 0 DEADHO CC[C@H](C[NH2+]C[C@H](O)CN1CCCC1)Oc1ccccc1C ZINC000629568666 367255368 /nfs/dbraw/zinc/25/53/68/367255368.db2.gz SOFHFZNRVJLRQA-DLBZAZTESA-N 1 3 306.450 2.199 20 0 DEADHO CN(CCOCC[NH3+])Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000629662948 367292308 /nfs/dbraw/zinc/29/23/08/367292308.db2.gz IJWCGUKXGNDDHR-UHFFFAOYSA-N 1 3 324.428 2.433 20 0 DEADHO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCNCC(C)(C)C2)C12CCOCC2 ZINC000630681626 367792256 /nfs/dbraw/zinc/79/22/56/367792256.db2.gz LAHVQCVUCJORBX-OWCLPIDISA-N 1 3 310.482 2.328 20 0 DEADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)C12CCOCC2 ZINC000630681626 367792258 /nfs/dbraw/zinc/79/22/58/367792258.db2.gz LAHVQCVUCJORBX-OWCLPIDISA-N 1 3 310.482 2.328 20 0 DEADHO CCCc1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000630931376 367918610 /nfs/dbraw/zinc/91/86/10/367918610.db2.gz QCIKIQORQWRIRO-UHFFFAOYSA-N 1 3 311.495 2.266 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](NCc2ccc(=O)[nH]c2)[C@@H](C)C1 ZINC000631074171 368003455 /nfs/dbraw/zinc/00/34/55/368003455.db2.gz SVVBGJGIHZDEMR-HOCLYGCPSA-N 1 3 307.438 2.014 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](NCc2ccc(=O)[nH]c2)[C@@H](C)C1 ZINC000631074171 368003463 /nfs/dbraw/zinc/00/34/63/368003463.db2.gz SVVBGJGIHZDEMR-HOCLYGCPSA-N 1 3 307.438 2.014 20 0 DEADHO CN(C)CCN1CCC([NH2+][C@@H]2CCCc3ncccc32)CC1 ZINC000631567562 368291069 /nfs/dbraw/zinc/29/10/69/368291069.db2.gz XJWGPGNOIVMNHL-GOSISDBHSA-N 1 3 302.466 2.075 20 0 DEADHO NCc1cn([C@H]2CC[N@@H+]([C@H]3CCCc4ccc(F)cc43)C2)nn1 ZINC000631844959 368420628 /nfs/dbraw/zinc/42/06/28/368420628.db2.gz QGKNCKJHWGTCNV-RDJZCZTQSA-N 1 3 315.396 2.200 20 0 DEADHO NCc1cn([C@H]2CC[N@H+]([C@H]3CCCc4ccc(F)cc43)C2)nn1 ZINC000631844959 368420629 /nfs/dbraw/zinc/42/06/29/368420629.db2.gz QGKNCKJHWGTCNV-RDJZCZTQSA-N 1 3 315.396 2.200 20 0 DEADHO CCC[C@H](N)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261539609 203075168 /nfs/dbraw/zinc/07/51/68/203075168.db2.gz CVJFFMRAOLLYLQ-UAGQMJEPSA-N 1 3 303.450 2.141 20 0 DEADHO CCC[C@H](N)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261539609 203075172 /nfs/dbraw/zinc/07/51/72/203075172.db2.gz CVJFFMRAOLLYLQ-UAGQMJEPSA-N 1 3 303.450 2.141 20 0 DEADHO CCC[C@](C)([NH3+])C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000261533181 203075876 /nfs/dbraw/zinc/07/58/76/203075876.db2.gz AWDLSLFGCHNEDU-SFHVURJKSA-N 1 3 303.450 2.285 20 0 DEADHO [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000261695636 203094932 /nfs/dbraw/zinc/09/49/32/203094932.db2.gz IBDFEZQCZCMUEJ-KURKYZTESA-N 1 3 315.461 2.315 20 0 DEADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000261737099 203106387 /nfs/dbraw/zinc/10/63/87/203106387.db2.gz LKYOCAVWTFOEQF-RCCFBDPRSA-N 1 3 315.461 2.457 20 0 DEADHO CCc1ccc([C@H](CNC(=O)CC[C@@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000261882099 203141885 /nfs/dbraw/zinc/14/18/85/203141885.db2.gz UGWZUYINBNKBTL-AEFFLSMTSA-N 1 3 317.477 2.358 20 0 DEADHO C[C@H](C[NH3+])C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000262422701 203291360 /nfs/dbraw/zinc/29/13/60/203291360.db2.gz SAMSWPKLCFZBBJ-KGLIPLIRSA-N 1 3 309.479 2.232 20 0 DEADHO CCC[C@](C)(N)C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000262677053 203378554 /nfs/dbraw/zinc/37/85/54/203378554.db2.gz SYVOCHQHVKGXAX-KRWDZBQOSA-N 1 3 307.438 2.473 20 0 DEADHO CCN(CC)CCC[C@H](C)[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094634917 193386095 /nfs/dbraw/zinc/38/60/95/193386095.db2.gz OYQNWXJIPYILSZ-XHSDSOJGSA-N 1 3 318.527 2.442 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCc1cnc2c(Cl)cnn2c1 ZINC000453227207 245002963 /nfs/dbraw/zinc/00/29/63/245002963.db2.gz XUCNLMFRKZFWDZ-LALPHHSUSA-N 1 3 321.856 2.244 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCc1cnc2c(Cl)cnn2c1 ZINC000453227207 245002974 /nfs/dbraw/zinc/00/29/74/245002974.db2.gz XUCNLMFRKZFWDZ-LALPHHSUSA-N 1 3 321.856 2.244 20 0 DEADHO CN(C)C/C=C/C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000264676301 204071416 /nfs/dbraw/zinc/07/14/16/204071416.db2.gz ZWYBILVNIBZKDS-VOTSOKGWSA-N 1 3 315.461 2.407 20 0 DEADHO CCN1CCN(Cc2ccc(C[NH2+]C3CSC3)cc2)CC1 ZINC000679624761 541883514 /nfs/dbraw/zinc/88/35/14/541883514.db2.gz IEVQGFHNTLJADC-UHFFFAOYSA-N 1 3 305.491 2.029 20 0 DEADHO CO[C@H](Cc1ccc(F)cc1)CN1CCC(OCCC[NH3+])CC1 ZINC000530210392 284373777 /nfs/dbraw/zinc/37/37/77/284373777.db2.gz KDAJXYTVCMPIII-GOSISDBHSA-N 1 3 324.440 2.213 20 0 DEADHO CC[NH2+]CC1CCN([C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000530212151 284374535 /nfs/dbraw/zinc/37/45/35/284374535.db2.gz PAOXSQSQXNQVJC-QGZVFWFLSA-N 1 3 307.482 2.242 20 0 DEADHO O=C1[C@H](N2CCC([C@@H]3CCC[NH2+]3)CC2)CCN1C1CCCCC1 ZINC000530226073 284378520 /nfs/dbraw/zinc/37/85/20/284378520.db2.gz VUAOPIMTTUBYQA-ZWKOTPCHSA-N 1 3 319.493 2.384 20 0 DEADHO CNC[C@@](C)(O)C[N@@H+]1C[C@H](c2cccc(OC)c2)C(C)(C)C1 ZINC000530230564 284381179 /nfs/dbraw/zinc/38/11/79/284381179.db2.gz HQXVLXXSWNHORU-SJLPKXTDSA-N 1 3 306.450 2.091 20 0 DEADHO CNC[C@@](C)(O)C[N@H+]1C[C@H](c2cccc(OC)c2)C(C)(C)C1 ZINC000530230564 284381181 /nfs/dbraw/zinc/38/11/81/284381181.db2.gz HQXVLXXSWNHORU-SJLPKXTDSA-N 1 3 306.450 2.091 20 0 DEADHO O=C1[C@H](N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CCN1C1CCCCC1 ZINC000530226809 284379258 /nfs/dbraw/zinc/37/92/58/284379258.db2.gz ZGEJABPYEBZXOA-LZLYRXPVSA-N 1 3 319.493 2.242 20 0 DEADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)/C=C/CN(C)C ZINC000267432663 206063977 /nfs/dbraw/zinc/06/39/77/206063977.db2.gz NCJLIXGWBBQEEM-HQWTUQCVSA-N 1 3 315.461 2.131 20 0 DEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)/C=C/CN(C)C ZINC000267432663 206063983 /nfs/dbraw/zinc/06/39/83/206063983.db2.gz NCJLIXGWBBQEEM-HQWTUQCVSA-N 1 3 315.461 2.131 20 0 DEADHO CN(C)C1(CNC(=O)NCCCCC[NH+]2CCCC2)CCC1 ZINC000454833148 246181593 /nfs/dbraw/zinc/18/15/93/246181593.db2.gz UTBDBPHMIXJCHU-UHFFFAOYSA-N 1 3 310.486 2.036 20 0 DEADHO CN1CCC(N(Cc2ccccc2)C(=O)/C=C/C[NH+](C)C)CC1 ZINC000267910182 206332804 /nfs/dbraw/zinc/33/28/04/206332804.db2.gz VAQBPXBIHUQAMX-JXMROGBWSA-N 1 3 315.461 2.227 20 0 DEADHO CC(C)N1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000458327562 248264210 /nfs/dbraw/zinc/26/42/10/248264210.db2.gz JYYRXKMBCLQIDD-IRXDYDNUSA-N 1 3 324.513 2.231 20 0 DEADHO CC(C)N1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000458327562 248264213 /nfs/dbraw/zinc/26/42/13/248264213.db2.gz JYYRXKMBCLQIDD-IRXDYDNUSA-N 1 3 324.513 2.231 20 0 DEADHO CN(C)C/C=C\C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000492747578 249130398 /nfs/dbraw/zinc/13/03/98/249130398.db2.gz CSDJVBBFVGHMCG-ABMFHFBKSA-N 1 3 315.461 2.275 20 0 DEADHO CN(C)C/C=C\C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000492747578 249130400 /nfs/dbraw/zinc/13/04/00/249130400.db2.gz CSDJVBBFVGHMCG-ABMFHFBKSA-N 1 3 315.461 2.275 20 0 DEADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000309820124 291692337 /nfs/dbraw/zinc/69/23/37/291692337.db2.gz ZFQRYRVZFMCKPW-QAPCUYQASA-N 1 3 315.461 2.107 20 0 DEADHO C[NH+](C)CCCCC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000552878655 291728495 /nfs/dbraw/zinc/72/84/95/291728495.db2.gz IIVLIHOQUOUJGH-UHFFFAOYSA-N 1 3 318.465 2.146 20 0 DEADHO COC[C@H](Cc1ccccc1)[NH2+]CC1(O)CCN(C(C)C)CC1 ZINC000268993387 207150406 /nfs/dbraw/zinc/15/04/06/207150406.db2.gz GWSPEQMXFOYIAE-SFHVURJKSA-N 1 3 320.477 2.069 20 0 DEADHO C[C@@H]1CCCC[C@@H]1OCCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422710706 296345156 /nfs/dbraw/zinc/34/51/56/296345156.db2.gz MADSUQZTNIQONM-ZKXLYKBJSA-N 1 3 310.482 2.328 20 0 DEADHO C[NH2+][C@H]1CCCN(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)C1 ZINC000418366175 533017847 /nfs/dbraw/zinc/01/78/47/533017847.db2.gz YGRYETKNGQVSMY-IRXDYDNUSA-N 1 3 318.465 2.203 20 0 DEADHO CN1CCC(C[NH2+][C@H]2CCCCC2(C)C)(N2CCOCC2)CC1 ZINC000556890113 291850349 /nfs/dbraw/zinc/85/03/49/291850349.db2.gz KJAQGMJHJKPTPS-KRWDZBQOSA-N 1 3 323.525 2.341 20 0 DEADHO C[C@@H](CCn1cccn1)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000157606641 197201808 /nfs/dbraw/zinc/20/18/08/197201808.db2.gz IKEYMMCSBZKXEY-INIZCTEOSA-N 1 3 316.449 2.392 20 0 DEADHO COCC[C@](C)(O)CNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000358721597 285182097 /nfs/dbraw/zinc/18/20/97/285182097.db2.gz XKPIYABAYBTQCE-JQHSSLGASA-N 1 3 312.498 2.407 20 0 DEADHO COCC[C@](C)(O)C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000358721597 285182098 /nfs/dbraw/zinc/18/20/98/285182098.db2.gz XKPIYABAYBTQCE-JQHSSLGASA-N 1 3 312.498 2.407 20 0 DEADHO CCCN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000271655044 209098518 /nfs/dbraw/zinc/09/85/18/209098518.db2.gz BZRGNDSOMPTPKK-GOSISDBHSA-N 1 3 315.461 2.252 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000344869837 285197629 /nfs/dbraw/zinc/19/76/29/285197629.db2.gz DERXANAIPURONS-GVDBMIGSSA-N 1 3 322.497 2.129 20 0 DEADHO CN1CCN(CCCC[NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000558950042 291908228 /nfs/dbraw/zinc/90/82/28/291908228.db2.gz HKBXLPQRMPXKHQ-UHFFFAOYSA-N 1 3 318.440 2.424 20 0 DEADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000683419584 542447146 /nfs/dbraw/zinc/44/71/46/542447146.db2.gz WVRVVQYBOFQOML-NVXWUHKLSA-N 1 3 322.497 2.177 20 0 DEADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccs1 ZINC000299725309 285281124 /nfs/dbraw/zinc/28/11/24/285281124.db2.gz PVRURGOOYJWLBM-AWEZNQCLSA-N 1 3 309.479 2.236 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000073428478 285286918 /nfs/dbraw/zinc/28/69/18/285286918.db2.gz SHUIEIFMYDFQEQ-AWEZNQCLSA-N 1 3 310.486 2.079 20 0 DEADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NCCN1CCCC(C)(C)C1 ZINC000683571781 542473026 /nfs/dbraw/zinc/47/30/26/542473026.db2.gz DACVBHSNFVSDDG-MRXNPFEDSA-N 1 3 324.513 2.282 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H]2CC[NH2+][C@H]2C(C)C)N(C)C)cc1 ZINC000289583314 221084101 /nfs/dbraw/zinc/08/41/01/221084101.db2.gz APKJOBXSOJRLDT-BZSNNMDCSA-N 1 3 317.477 2.348 20 0 DEADHO COc1ccc(CN(C)CC[N@H+](C)C2CCN(C)CC2)cc1C ZINC000289903087 221304864 /nfs/dbraw/zinc/30/48/64/221304864.db2.gz UOMDMEWBZITHGT-UHFFFAOYSA-N 1 3 319.493 2.461 20 0 DEADHO COc1ccc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)cc1C ZINC000289903087 221304867 /nfs/dbraw/zinc/30/48/67/221304867.db2.gz UOMDMEWBZITHGT-UHFFFAOYSA-N 1 3 319.493 2.461 20 0 DEADHO C[C@@H](C(=O)N1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C)[C@H](N)c1ccccc1 ZINC000422541984 533224350 /nfs/dbraw/zinc/22/43/50/533224350.db2.gz PDZRIHNRMVATGA-QZCUMHFISA-N 1 3 303.450 2.154 20 0 DEADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000684138141 542556773 /nfs/dbraw/zinc/55/67/73/542556773.db2.gz JSLKDLQITBJSGB-HOTGVXAUSA-N 1 3 324.513 2.280 20 0 DEADHO C[N@H+](CCC(=O)N[C@@H]1CCN(CC2CC2)C1)C1CCCCC1 ZINC000684163426 542560566 /nfs/dbraw/zinc/56/05/66/542560566.db2.gz LAZZGAQVQRLDBU-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO C[N@@H+](CCC(=O)N[C@@H]1CCN(CC2CC2)C1)C1CCCCC1 ZINC000684163426 542560571 /nfs/dbraw/zinc/56/05/71/542560571.db2.gz LAZZGAQVQRLDBU-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO COC(=O)COc1ccc(CN2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1 ZINC000422565319 533558166 /nfs/dbraw/zinc/55/81/66/533558166.db2.gz YIPHMULHEDNXDH-LZWOXQAQSA-N 1 3 320.433 2.044 20 0 DEADHO OC[C@@H]1CCC[N@@H+]1CCCCN[C@@H]1CCCc2cccnc21 ZINC000684955474 542690528 /nfs/dbraw/zinc/69/05/28/542690528.db2.gz NHEBARDXPNNVAY-DLBZAZTESA-N 1 3 303.450 2.286 20 0 DEADHO OC[C@@H]1CCC[N@H+]1CCCCN[C@@H]1CCCc2cccnc21 ZINC000684955474 542690530 /nfs/dbraw/zinc/69/05/30/542690530.db2.gz NHEBARDXPNNVAY-DLBZAZTESA-N 1 3 303.450 2.286 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NC1CCN(C2CC2)CC1 ZINC000357642534 133090748 /nfs/dbraw/zinc/09/07/48/133090748.db2.gz VYLQGJRNFSDZGH-AWEZNQCLSA-N 1 3 310.486 2.033 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NC1CCN(C2CC2)CC1 ZINC000357642534 133090749 /nfs/dbraw/zinc/09/07/49/133090749.db2.gz VYLQGJRNFSDZGH-AWEZNQCLSA-N 1 3 310.486 2.033 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000358145895 133124121 /nfs/dbraw/zinc/12/41/21/133124121.db2.gz UFKYKBHMRLRBTO-NVXWUHKLSA-N 1 3 324.513 2.423 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000358145895 133124122 /nfs/dbraw/zinc/12/41/22/133124122.db2.gz UFKYKBHMRLRBTO-NVXWUHKLSA-N 1 3 324.513 2.423 20 0 DEADHO COC1(CNC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCCC1 ZINC000359698172 133139903 /nfs/dbraw/zinc/13/99/03/133139903.db2.gz DQCPTEBHDDGEFK-DLBZAZTESA-N 1 3 310.482 2.303 20 0 DEADHO O=C(c1ccoc1)N1CCC([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000359984847 133156232 /nfs/dbraw/zinc/15/62/32/133156232.db2.gz CWCZKJSYKDYRJL-DLBZAZTESA-N 1 3 317.433 2.101 20 0 DEADHO O=C(c1ccoc1)N1CCC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000359984847 133156233 /nfs/dbraw/zinc/15/62/33/133156233.db2.gz CWCZKJSYKDYRJL-DLBZAZTESA-N 1 3 317.433 2.101 20 0 DEADHO O=C(c1ccoc1)N1CCC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000359984847 133156234 /nfs/dbraw/zinc/15/62/34/133156234.db2.gz CWCZKJSYKDYRJL-DLBZAZTESA-N 1 3 317.433 2.101 20 0 DEADHO CN1CCC[C@H]2C[N@H+](CCc3ccc4c(c3)OCCO4)CC[C@@H]21 ZINC000360028222 133157929 /nfs/dbraw/zinc/15/79/29/133157929.db2.gz RXNASTPDMWACIP-IRXDYDNUSA-N 1 3 316.445 2.416 20 0 DEADHO CN1CCC[C@H]2C[N@@H+](CCc3ccc4c(c3)OCCO4)CC[C@@H]21 ZINC000360028222 133157930 /nfs/dbraw/zinc/15/79/30/133157930.db2.gz RXNASTPDMWACIP-IRXDYDNUSA-N 1 3 316.445 2.416 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000362746604 133249112 /nfs/dbraw/zinc/24/91/12/133249112.db2.gz JDWGXYKOLDFBKR-VYDXJSESSA-N 1 3 317.477 2.430 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000362746604 133249113 /nfs/dbraw/zinc/24/91/13/133249113.db2.gz JDWGXYKOLDFBKR-VYDXJSESSA-N 1 3 317.477 2.430 20 0 DEADHO COC(=O)CCN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000368581154 133279050 /nfs/dbraw/zinc/27/90/50/133279050.db2.gz ASAMSWLAUICSLH-SJORKVTESA-N 1 3 302.418 2.003 20 0 DEADHO COC(=O)CCN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000368581154 133279051 /nfs/dbraw/zinc/27/90/51/133279051.db2.gz ASAMSWLAUICSLH-SJORKVTESA-N 1 3 302.418 2.003 20 0 DEADHO Cc1cccc(CN2CCCC[C@H]2C(=O)N2CC[C@@H](C[NH3+])C2)c1 ZINC000377125359 133319132 /nfs/dbraw/zinc/31/91/32/133319132.db2.gz FHUAPDMDXSVLNQ-ROUUACIJSA-N 1 3 315.461 2.157 20 0 DEADHO CC(C)(C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[C@@H](N)c1ccccc1 ZINC000563048629 292027746 /nfs/dbraw/zinc/02/77/46/292027746.db2.gz XACIVUDNMJZYBB-SJORKVTESA-N 1 3 315.461 2.409 20 0 DEADHO CC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1CCCC1 ZINC000563078975 292029975 /nfs/dbraw/zinc/02/99/75/292029975.db2.gz CAUOJMYRTNWDHI-MRXNPFEDSA-N 1 3 312.502 2.090 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000563426842 292056617 /nfs/dbraw/zinc/05/66/17/292056617.db2.gz WOCNILLPIRUZGE-KZNAEPCWSA-N 1 3 315.461 2.080 20 0 DEADHO N[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000563426842 292056618 /nfs/dbraw/zinc/05/66/18/292056618.db2.gz WOCNILLPIRUZGE-KZNAEPCWSA-N 1 3 315.461 2.080 20 0 DEADHO Cc1ccc(OC[C@@H](O)CNC2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000563529253 292061626 /nfs/dbraw/zinc/06/16/26/292061626.db2.gz VVQIDHXOTPBXNP-SFHVURJKSA-N 1 3 318.461 2.260 20 0 DEADHO CC(C)OC1CC([NH2+]C2CCN(C3CCN(C)CC3)CC2)C1 ZINC000189528160 145029406 /nfs/dbraw/zinc/02/94/06/145029406.db2.gz HNLGFKOUUPRHLQ-UHFFFAOYSA-N 1 3 309.498 2.091 20 0 DEADHO CCOC(=O)N[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)CC(C)C ZINC000192638468 145076636 /nfs/dbraw/zinc/07/66/36/145076636.db2.gz JQGJYWIPFASYTO-VIYLOZMYSA-N 1 3 311.470 2.362 20 0 DEADHO CCOC(=O)N[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)CC(C)C ZINC000192638468 145076637 /nfs/dbraw/zinc/07/66/37/145076637.db2.gz JQGJYWIPFASYTO-VIYLOZMYSA-N 1 3 311.470 2.362 20 0 DEADHO CC(C)[C@@H](CNC(=O)NCCN1CCC[C@@H](C)C1)[NH+]1CCCC1 ZINC000246380272 145100708 /nfs/dbraw/zinc/10/07/08/145100708.db2.gz HNBDZXFUAOQLRH-IAGOWNOFSA-N 1 3 324.513 2.138 20 0 DEADHO CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C ZINC000247172336 145128473 /nfs/dbraw/zinc/12/84/73/145128473.db2.gz YQPWEIJVPDFYPT-SOLBZPMBSA-N 1 3 317.477 2.353 20 0 DEADHO Cc1cccc(OC[C@H](O)C[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c1 ZINC000248057556 145147937 /nfs/dbraw/zinc/14/79/37/145147937.db2.gz XRRMFRXGHKSLEX-SCTDSRPQSA-N 1 3 318.461 2.151 20 0 DEADHO Cc1cccc(OC[C@H](O)C[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c1 ZINC000248057556 145147938 /nfs/dbraw/zinc/14/79/38/145147938.db2.gz XRRMFRXGHKSLEX-SCTDSRPQSA-N 1 3 318.461 2.151 20 0 DEADHO CC(=O)c1ccc(NC(=O)CCN2CCC(CC[NH3+])CC2)cc1 ZINC000565096370 292133462 /nfs/dbraw/zinc/13/34/62/292133462.db2.gz PSLRKJYTLGNYNP-UHFFFAOYSA-N 1 3 317.433 2.279 20 0 DEADHO Cc1ccc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)s1 ZINC000261813653 145228673 /nfs/dbraw/zinc/22/86/73/145228673.db2.gz AFBBKBUWEFTIJO-GDBMZVCRSA-N 1 3 321.490 2.137 20 0 DEADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1oc2ccccc2c1CN(C)C ZINC000261901051 145239388 /nfs/dbraw/zinc/23/93/88/145239388.db2.gz WSONFHVGZKQQOL-STQMWFEESA-N 1 3 315.417 2.304 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCN(Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000262084033 145259973 /nfs/dbraw/zinc/25/99/73/145259973.db2.gz FTYKKGZCQQYMLI-QILLFSRXSA-N 1 3 304.434 2.414 20 0 DEADHO O=C(CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)N1CCCCC1 ZINC000262326259 145276512 /nfs/dbraw/zinc/27/65/12/145276512.db2.gz RVZJYNHBVDUYRW-IXDOHACOSA-N 1 3 307.482 2.289 20 0 DEADHO CC(C)C[C@H](N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309695409 145350718 /nfs/dbraw/zinc/35/07/18/145350718.db2.gz DURVMCGEFGJTTN-MSOLQXFVSA-N 1 3 317.477 2.388 20 0 DEADHO CC(C)C[C@H](N)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309695409 145350720 /nfs/dbraw/zinc/35/07/20/145350720.db2.gz DURVMCGEFGJTTN-MSOLQXFVSA-N 1 3 317.477 2.388 20 0 DEADHO COc1ccc(-c2n[nH]cc2CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000346853660 146153713 /nfs/dbraw/zinc/15/37/13/146153713.db2.gz MBGNHLMVWOVARQ-IAOVAPTHSA-N 1 3 312.417 2.254 20 0 DEADHO CCN(CC)C(=O)CCC1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000346957590 146170691 /nfs/dbraw/zinc/17/06/91/146170691.db2.gz CSFOXZUZVGKVLG-KRWDZBQOSA-N 1 3 309.498 2.347 20 0 DEADHO CCN(CC)C(=O)CCC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000346957590 146170693 /nfs/dbraw/zinc/17/06/93/146170693.db2.gz CSFOXZUZVGKVLG-KRWDZBQOSA-N 1 3 309.498 2.347 20 0 DEADHO CCCCOc1ccccc1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000348963882 146333901 /nfs/dbraw/zinc/33/39/01/146333901.db2.gz JYYCQDFRSAKLQQ-GOSISDBHSA-N 1 3 317.477 2.345 20 0 DEADHO CN(CCc1ccccc1F)CC[N@H+](C)C1CCN(C)CC1 ZINC000349063164 146346174 /nfs/dbraw/zinc/34/61/74/146346174.db2.gz PQQHQOBCGRGIAT-UHFFFAOYSA-N 1 3 307.457 2.326 20 0 DEADHO CN(CCc1ccccc1F)CC[N@@H+](C)C1CCN(C)CC1 ZINC000349063164 146346176 /nfs/dbraw/zinc/34/61/76/146346176.db2.gz PQQHQOBCGRGIAT-UHFFFAOYSA-N 1 3 307.457 2.326 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(C)cn1 ZINC000349061682 146346208 /nfs/dbraw/zinc/34/62/08/146346208.db2.gz JFRQDFIBHPFXOU-GOSISDBHSA-N 1 3 304.482 2.238 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(C)cn1 ZINC000349061682 146346209 /nfs/dbraw/zinc/34/62/09/146346209.db2.gz JFRQDFIBHPFXOU-GOSISDBHSA-N 1 3 304.482 2.238 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000349083445 146348691 /nfs/dbraw/zinc/34/86/91/146348691.db2.gz USEPNERXYNZHLW-GOSISDBHSA-N 1 3 317.477 2.499 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000349083445 146348693 /nfs/dbraw/zinc/34/86/93/146348693.db2.gz USEPNERXYNZHLW-GOSISDBHSA-N 1 3 317.477 2.499 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)CN1C1CC1 ZINC000358269306 147102443 /nfs/dbraw/zinc/10/24/43/147102443.db2.gz UWYXRERQSSLWMB-HUUCEWRRSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCOc1ccc(C(F)(F)F)cn1 ZINC000358299332 147109536 /nfs/dbraw/zinc/10/95/36/147109536.db2.gz NUVFCNFBTXFGHT-WCQYABFASA-N 1 3 317.355 2.409 20 0 DEADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCOc1ccc(C(F)(F)F)cn1 ZINC000358299332 147109540 /nfs/dbraw/zinc/10/95/40/147109540.db2.gz NUVFCNFBTXFGHT-WCQYABFASA-N 1 3 317.355 2.409 20 0 DEADHO O=C(NC1CC1)[C@H](c1ccccc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358511713 147147424 /nfs/dbraw/zinc/14/74/24/147147424.db2.gz SUXNIATXWOOAIQ-KRWDZBQOSA-N 1 3 313.445 2.082 20 0 DEADHO C[C@H](C(=O)NCC1CCCCC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358520466 147149593 /nfs/dbraw/zinc/14/95/93/147149593.db2.gz UZFLEEXFGVXXTL-OAHLLOKOSA-N 1 3 307.482 2.147 20 0 DEADHO O=C(c1ccccc1)N1CCCN(CCC2CC[NH2+]CC2)CC1 ZINC000359201185 147280816 /nfs/dbraw/zinc/28/08/16/147280816.db2.gz ZBNJZGAIFHCTSI-UHFFFAOYSA-N 1 3 315.461 2.224 20 0 DEADHO Cc1nnc([C@H](C)NC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)s1 ZINC000565635663 292174065 /nfs/dbraw/zinc/17/40/65/292174065.db2.gz FTGHWIGKRWQEAN-GWCFXTLKSA-N 1 3 323.466 2.224 20 0 DEADHO Cc1nnc([C@H](C)NC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)s1 ZINC000565635663 292174066 /nfs/dbraw/zinc/17/40/66/292174066.db2.gz FTGHWIGKRWQEAN-GWCFXTLKSA-N 1 3 323.466 2.224 20 0 DEADHO COc1ccc2c(c1)CCN2C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000565647738 292175178 /nfs/dbraw/zinc/17/51/78/292175178.db2.gz HTCWIQZXMHFBSS-JKSUJKDBSA-N 1 3 315.417 2.155 20 0 DEADHO CC[C@H](C(=O)N1CCCN(Cc2ccccc2C)CC1)[NH+](C)C ZINC000370669851 148042219 /nfs/dbraw/zinc/04/22/19/148042219.db2.gz RTBLROBYCMLZOW-GOSISDBHSA-N 1 3 317.477 2.370 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000370679133 148043791 /nfs/dbraw/zinc/04/37/91/148043791.db2.gz LDAPNDZPTNWOSD-MSOLQXFVSA-N 1 3 317.477 2.355 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000370679133 148043792 /nfs/dbraw/zinc/04/37/92/148043792.db2.gz LDAPNDZPTNWOSD-MSOLQXFVSA-N 1 3 317.477 2.355 20 0 DEADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000372430850 148208129 /nfs/dbraw/zinc/20/81/29/148208129.db2.gz IIBKMHRFCWIKCG-JJRVBVJISA-N 1 3 319.474 2.001 20 0 DEADHO CCN(CC)Cc1cccc(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)c1 ZINC000372431960 148208415 /nfs/dbraw/zinc/20/84/15/148208415.db2.gz QFULIJPCOXDXIQ-FUHWJXTLSA-N 1 3 301.434 2.467 20 0 DEADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCC(=O)Nc1ccccn1 ZINC000565827849 292184721 /nfs/dbraw/zinc/18/47/21/292184721.db2.gz KUBZBLDQDWADLY-LSDHHAIUSA-N 1 3 304.438 2.311 20 0 DEADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000073897836 401724792 /nfs/dbraw/zinc/72/47/92/401724792.db2.gz DXPQISRVYJWXAB-SJORKVTESA-N 1 3 324.513 2.233 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCCN2CC)CC1 ZINC000073967938 401726294 /nfs/dbraw/zinc/72/62/94/401726294.db2.gz ZNZVTQUXVADHGY-INIZCTEOSA-N 1 3 310.486 2.034 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000074499073 401740690 /nfs/dbraw/zinc/74/06/90/401740690.db2.gz XAXHBPVLAASPPS-IAGOWNOFSA-N 1 3 322.497 2.034 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000074499073 401740694 /nfs/dbraw/zinc/74/06/94/401740694.db2.gz XAXHBPVLAASPPS-IAGOWNOFSA-N 1 3 322.497 2.034 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](CNCCC(=O)Nc2cccnc2)C1 ZINC000566115418 292206763 /nfs/dbraw/zinc/20/67/63/292206763.db2.gz PPVAZAXSEJUCNT-MRXNPFEDSA-N 1 3 318.465 2.368 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](CNCCC(=O)Nc2cccnc2)C1 ZINC000566115418 292206766 /nfs/dbraw/zinc/20/67/66/292206766.db2.gz PPVAZAXSEJUCNT-MRXNPFEDSA-N 1 3 318.465 2.368 20 0 DEADHO COc1ccccc1C[C@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000128258995 401769199 /nfs/dbraw/zinc/76/91/99/401769199.db2.gz VFEWPXHNNMVWEG-KRWDZBQOSA-N 1 3 319.493 2.243 20 0 DEADHO C[C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000113983879 401788592 /nfs/dbraw/zinc/78/85/92/401788592.db2.gz IRWKDPWTMZZEKC-YVSFHVDLSA-N 1 3 307.482 2.335 20 0 DEADHO CN(C[C@H]1CCCN(C)C1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000115805605 401837776 /nfs/dbraw/zinc/83/77/76/401837776.db2.gz CCIQVDHNEVLFDQ-HNNXBMFYSA-N 1 3 324.513 2.233 20 0 DEADHO CCN1CCCN(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000130940856 401841722 /nfs/dbraw/zinc/84/17/22/401841722.db2.gz TXRWBUAMYKNOHI-QGZVFWFLSA-N 1 3 324.513 2.092 20 0 DEADHO CCN1CCCN(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000130940856 401841725 /nfs/dbraw/zinc/84/17/25/401841725.db2.gz TXRWBUAMYKNOHI-QGZVFWFLSA-N 1 3 324.513 2.092 20 0 DEADHO Cc1cccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1[O-] ZINC000078344778 401847546 /nfs/dbraw/zinc/84/75/46/401847546.db2.gz SLKFXDCAINNBSU-UHFFFAOYSA-N 1 3 321.465 2.046 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000131762386 401856176 /nfs/dbraw/zinc/85/61/76/401856176.db2.gz QCSAJMLTFGMJGL-UHFFFAOYSA-N 1 3 317.437 2.125 20 0 DEADHO CCCCCNC(=O)C1CC[NH+](CC[C@H]2CCCN2C)CC1 ZINC000119110380 401926864 /nfs/dbraw/zinc/92/68/64/401926864.db2.gz OJFQGVVOZWSIQI-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CC[N@@H+]1CC[C@@H](NCCN2CCc3sccc3C2)[C@H](C)C1 ZINC000132848724 401874993 /nfs/dbraw/zinc/87/49/93/401874993.db2.gz ZIOGEWGNZFTXAZ-GDBMZVCRSA-N 1 3 307.507 2.426 20 0 DEADHO CC[N@H+]1CC[C@@H](NCCN2CCc3sccc3C2)[C@H](C)C1 ZINC000132848724 401874995 /nfs/dbraw/zinc/87/49/95/401874995.db2.gz ZIOGEWGNZFTXAZ-GDBMZVCRSA-N 1 3 307.507 2.426 20 0 DEADHO CCN1CC[C@H]([NH2+]CC2(N3CCCCC3)CCOCC2)[C@H](C)C1 ZINC000089594286 401953155 /nfs/dbraw/zinc/95/31/55/401953155.db2.gz LXLMVRIGIBTRBY-MSOLQXFVSA-N 1 3 323.525 2.341 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCNC(=O)CC1CCCCC1 ZINC000089666709 401956942 /nfs/dbraw/zinc/95/69/42/401956942.db2.gz WQHCBHQDRNIQKH-INMHGKMJSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCNC(=O)CC1CCCCC1 ZINC000089666709 401956943 /nfs/dbraw/zinc/95/69/43/401956943.db2.gz WQHCBHQDRNIQKH-INMHGKMJSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)C1(C)CC1 ZINC000090038612 401979365 /nfs/dbraw/zinc/97/93/65/401979365.db2.gz TUIUTXLQAMFQNT-AWEZNQCLSA-N 1 3 303.450 2.256 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCN1CCc2ccccc2C1 ZINC000121740012 402051130 /nfs/dbraw/zinc/05/11/30/402051130.db2.gz BCFBHEDFUITFIP-GJYPPUQNSA-N 1 3 301.478 2.363 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCN1CCc2ccccc2C1 ZINC000121740012 402051133 /nfs/dbraw/zinc/05/11/33/402051133.db2.gz BCFBHEDFUITFIP-GJYPPUQNSA-N 1 3 301.478 2.363 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000566193300 292216663 /nfs/dbraw/zinc/21/66/63/292216663.db2.gz LGFOPSHQCJGSOM-JKQORVJESA-N 1 3 318.465 2.074 20 0 DEADHO C[NH2+]C[C@H](C)C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000566294762 292226474 /nfs/dbraw/zinc/22/64/74/292226474.db2.gz JVUODLMDIYVNDB-HNNXBMFYSA-N 1 3 318.465 2.002 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)CN1C1CC1 ZINC000154576272 402219240 /nfs/dbraw/zinc/21/92/40/402219240.db2.gz VKHXROWXYSJUOU-HUUCEWRRSA-N 1 3 322.497 2.175 20 0 DEADHO CC[NH+](CC)CC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000155476090 402258274 /nfs/dbraw/zinc/25/82/74/402258274.db2.gz QNLJFPIHRRSZRD-HNNXBMFYSA-N 1 3 318.465 2.065 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000155611391 402263056 /nfs/dbraw/zinc/26/30/56/402263056.db2.gz FXDHQEQWLCZNKN-YOEHRIQHSA-N 1 3 303.450 2.272 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cnn(C(C)C)c2)CC1 ZINC000155725738 402266044 /nfs/dbraw/zinc/26/60/44/402266044.db2.gz GMDJVZJMTZCFML-CVEARBPZSA-N 1 3 307.486 2.141 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCCCC1(C)C ZINC000156661537 402286195 /nfs/dbraw/zinc/28/61/95/402286195.db2.gz YVTSZYUSKIYPOL-OAHLLOKOSA-N 1 3 312.502 2.090 20 0 DEADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000220788129 402302534 /nfs/dbraw/zinc/30/25/34/402302534.db2.gz RUCVWPUDYRGOCM-HUUCEWRRSA-N 1 3 311.470 2.317 20 0 DEADHO CC[N@@H+]1CC[C@H](CN[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000220788129 402302536 /nfs/dbraw/zinc/30/25/36/402302536.db2.gz RUCVWPUDYRGOCM-HUUCEWRRSA-N 1 3 311.470 2.317 20 0 DEADHO CC[N@H+]1CC[C@H](CN[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000220788129 402302540 /nfs/dbraw/zinc/30/25/40/402302540.db2.gz RUCVWPUDYRGOCM-HUUCEWRRSA-N 1 3 311.470 2.317 20 0 DEADHO C[C@@H](C(=O)N(C)C)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158901996 402313817 /nfs/dbraw/zinc/31/38/17/402313817.db2.gz OXMSRYDMQLDKPZ-HOTGVXAUSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H](C(=O)N(C)C)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158901996 402313819 /nfs/dbraw/zinc/31/38/19/402313819.db2.gz OXMSRYDMQLDKPZ-HOTGVXAUSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000159096219 402317497 /nfs/dbraw/zinc/31/74/97/402317497.db2.gz RQOOQSCKBACDSR-KRWDZBQOSA-N 1 3 303.450 2.107 20 0 DEADHO C[C@H]1CCCN(CCNC(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000185479151 402354943 /nfs/dbraw/zinc/35/49/43/402354943.db2.gz IZNOZQIGJWOIAE-INIZCTEOSA-N 1 3 324.513 2.140 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)[C@]2(C)CCCC[NH2+]2)cc1 ZINC000236727635 402378593 /nfs/dbraw/zinc/37/85/93/402378593.db2.gz LLOCKTOZYFFKID-WMZOPIPTSA-N 1 3 303.450 2.458 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cccc(OC)c2)CC1 ZINC000177212821 402382271 /nfs/dbraw/zinc/38/22/71/402382271.db2.gz HQLZUUTUAGUKIS-INIZCTEOSA-N 1 3 305.466 2.373 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000236824357 402383740 /nfs/dbraw/zinc/38/37/40/402383740.db2.gz FMLPZYNUCXJZDN-DLBZAZTESA-N 1 3 315.461 2.316 20 0 DEADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CCN(C)C2CC2)C1 ZINC000185221845 402335936 /nfs/dbraw/zinc/33/59/36/402335936.db2.gz WCELUAXRGFMLSX-HNNXBMFYSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CCN(C)C2CC2)C1 ZINC000185221845 402335937 /nfs/dbraw/zinc/33/59/37/402335937.db2.gz WCELUAXRGFMLSX-HNNXBMFYSA-N 1 3 324.513 2.233 20 0 DEADHO C[NH2+]C[C@@H](C)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000237184455 402397963 /nfs/dbraw/zinc/39/79/63/402397963.db2.gz UGEFUKCWPFLNTR-HUUCEWRRSA-N 1 3 303.450 2.184 20 0 DEADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H](C)CN1 ZINC000237613789 402415283 /nfs/dbraw/zinc/41/52/83/402415283.db2.gz WIKLAZRQULZJDL-SOLBZPMBSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)CN1 ZINC000237613789 402415284 /nfs/dbraw/zinc/41/52/84/402415284.db2.gz WIKLAZRQULZJDL-SOLBZPMBSA-N 1 3 315.461 2.107 20 0 DEADHO CCN(Cc1ccccc1)C(=O)C[NH2+][C@H]1CCN(CC)C[C@H]1C ZINC000177998091 402450703 /nfs/dbraw/zinc/45/07/03/402450703.db2.gz SCHOOKMEIFSJRV-AEFFLSMTSA-N 1 3 317.477 2.355 20 0 DEADHO NC[C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000237801431 402421732 /nfs/dbraw/zinc/42/17/32/402421732.db2.gz HYMSAPZTFLOYQM-ROUUACIJSA-N 1 3 315.461 2.206 20 0 DEADHO CCN(C(=O)[C@H]1CC[NH2+]C1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000237034916 402391966 /nfs/dbraw/zinc/39/19/66/402391966.db2.gz SSTNNHKYPJMOCI-RYQLBKOJSA-N 1 3 315.461 2.280 20 0 DEADHO CC(=O)N[C@H](C)C1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000566351898 292231936 /nfs/dbraw/zinc/23/19/36/292231936.db2.gz KBMYZKANXRQMDY-CQSZACIVSA-N 1 3 315.461 2.069 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H](C)C[NH2+]C)c1cccc(OC)c1 ZINC000163967192 402459153 /nfs/dbraw/zinc/45/91/53/402459153.db2.gz BQFYHIIDMUTXBB-RHSMWYFYSA-N 1 3 321.465 2.050 20 0 DEADHO CC(C)[NH+]1CCC(N[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000164573278 402465149 /nfs/dbraw/zinc/46/51/49/402465149.db2.gz QGNASSQQZZBUJD-HNNXBMFYSA-N 1 3 311.470 2.458 20 0 DEADHO CN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000165492260 402476573 /nfs/dbraw/zinc/47/65/73/402476573.db2.gz BQUDBAGSEZVZMP-SQNIBIBYSA-N 1 3 315.461 2.237 20 0 DEADHO CN1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1=O ZINC000245675721 402478731 /nfs/dbraw/zinc/47/87/31/402478731.db2.gz HZZLZZMFSVSIRV-FJIDUMEYSA-N 1 3 313.445 2.002 20 0 DEADHO CC[C@H](N)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000167307872 402490675 /nfs/dbraw/zinc/49/06/75/402490675.db2.gz BXICWZLDJNPQDG-KRWDZBQOSA-N 1 3 303.450 2.094 20 0 DEADHO CC[C@H](N)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000167307872 402490679 /nfs/dbraw/zinc/49/06/79/402490679.db2.gz BXICWZLDJNPQDG-KRWDZBQOSA-N 1 3 303.450 2.094 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000167538273 402491896 /nfs/dbraw/zinc/49/18/96/402491896.db2.gz DPJKFCHMLAUNSU-NXHRZFHOSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000169120305 402500060 /nfs/dbraw/zinc/50/00/60/402500060.db2.gz QQSPLUUSMNUHDD-NJAFHUGGSA-N 1 3 315.461 2.155 20 0 DEADHO CCC[N@@H+]1CC[C@@H](CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247550896 402571630 /nfs/dbraw/zinc/57/16/30/402571630.db2.gz QWQRNQAGWXLPEB-GJZGRUSLSA-N 1 3 311.470 2.317 20 0 DEADHO CCC[N@H+]1CC[C@@H](CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247550896 402571633 /nfs/dbraw/zinc/57/16/33/402571633.db2.gz QWQRNQAGWXLPEB-GJZGRUSLSA-N 1 3 311.470 2.317 20 0 DEADHO CCCN1CC[C@@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247550896 402571636 /nfs/dbraw/zinc/57/16/36/402571636.db2.gz QWQRNQAGWXLPEB-GJZGRUSLSA-N 1 3 311.470 2.317 20 0 DEADHO C[C@@H](C(=O)NCCN(C)Cc1ccccc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000171269916 402573105 /nfs/dbraw/zinc/57/31/05/402573105.db2.gz SQMWGCVDLWAZKH-BBWFWOEESA-N 1 3 317.477 2.496 20 0 DEADHO C[C@@H](C(=O)NCCN(C)Cc1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000171269916 402573108 /nfs/dbraw/zinc/57/31/08/402573108.db2.gz SQMWGCVDLWAZKH-BBWFWOEESA-N 1 3 317.477 2.496 20 0 DEADHO CCN(CCC[NH+](C)C)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000188617222 402521581 /nfs/dbraw/zinc/52/15/81/402521581.db2.gz FYNPSVKBCABGJN-JKSUJKDBSA-N 1 3 312.502 2.090 20 0 DEADHO CC[NH+](CC)CCCN1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000170794137 402526242 /nfs/dbraw/zinc/52/62/42/402526242.db2.gz RRMAQRUJJFORMW-FGTMMUONSA-N 1 3 311.514 2.292 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000178689179 402527027 /nfs/dbraw/zinc/52/70/27/402527027.db2.gz OMZJOJVPCFOLOK-QAPCUYQASA-N 1 3 317.477 2.183 20 0 DEADHO CC(=O)NCCCN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000171384268 402583137 /nfs/dbraw/zinc/58/31/37/402583137.db2.gz CVVOKBYUWMRXOM-UHFFFAOYSA-N 1 3 317.477 2.357 20 0 DEADHO CC(=O)NCCCN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000171384268 402583138 /nfs/dbraw/zinc/58/31/38/402583138.db2.gz CVVOKBYUWMRXOM-UHFFFAOYSA-N 1 3 317.477 2.357 20 0 DEADHO C[C@H](NC(=O)NC[C@H]1CCCN1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248410220 402589705 /nfs/dbraw/zinc/58/97/05/402589705.db2.gz XRSQEIDHUBIUHX-YQQAZPJKSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](NC(=O)NC[C@H]1CCCN1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248410220 402589707 /nfs/dbraw/zinc/58/97/07/402589707.db2.gz XRSQEIDHUBIUHX-YQQAZPJKSA-N 1 3 322.497 2.033 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)C1 ZINC000252538328 402658288 /nfs/dbraw/zinc/65/82/88/402658288.db2.gz GWWCVWWXVQATRP-IXDOHACOSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000251736160 402649476 /nfs/dbraw/zinc/64/94/76/402649476.db2.gz PQZAIAYRFYXJNN-IKGGRYGDSA-N 1 3 324.513 2.375 20 0 DEADHO CN(C(=O)[C@H]1CC[C@@H]([NH3+])C1)C1CCN(Cc2ccccc2)CC1 ZINC000261555721 402713877 /nfs/dbraw/zinc/71/38/77/402713877.db2.gz VDUAOSGITXRJGU-DLBZAZTESA-N 1 3 315.461 2.237 20 0 DEADHO C[C@@H](NC(=O)NC1CCN(C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182360311 402683708 /nfs/dbraw/zinc/68/37/08/402683708.db2.gz PWJMGSHDGATGMA-HUUCEWRRSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](NC(=O)NC1CCN(C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182360311 402683710 /nfs/dbraw/zinc/68/37/10/402683710.db2.gz PWJMGSHDGATGMA-HUUCEWRRSA-N 1 3 322.497 2.033 20 0 DEADHO COc1cccc([C@H](CN[C@@H]2CCCC[C@H]2C[NH3+])N(C)C)c1 ZINC000262390176 402725352 /nfs/dbraw/zinc/72/53/52/402725352.db2.gz ZRPJLXUDSYNLIY-JQHSSLGASA-N 1 3 305.466 2.405 20 0 DEADHO COc1cccc([C@H](C[NH2+][C@@H]2CCCC[C@H]2CN)N(C)C)c1 ZINC000262390176 402725353 /nfs/dbraw/zinc/72/53/53/402725353.db2.gz ZRPJLXUDSYNLIY-JQHSSLGASA-N 1 3 305.466 2.405 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)C1 ZINC000174283593 402735097 /nfs/dbraw/zinc/73/50/97/402735097.db2.gz GWWCVWWXVQATRP-GVDBMIGSSA-N 1 3 324.513 2.233 20 0 DEADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000175565787 402817778 /nfs/dbraw/zinc/81/77/78/402817778.db2.gz UVAKUMJCJIPQOM-CVEARBPZSA-N 1 3 324.513 2.423 20 0 DEADHO CN(C(=O)[C@H]1CCCN1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000264038918 402833107 /nfs/dbraw/zinc/83/31/07/402833107.db2.gz BKQLFMLJLSJCRG-GOSISDBHSA-N 1 3 315.461 2.204 20 0 DEADHO CN(C)C(=O)[C@@H](NCC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000278150199 402860089 /nfs/dbraw/zinc/86/00/89/402860089.db2.gz XRYIJYZZYIBQAP-SFHVURJKSA-N 1 3 315.461 2.280 20 0 DEADHO COc1cc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)ccc1C ZINC000278882578 402881713 /nfs/dbraw/zinc/88/17/13/402881713.db2.gz OJMQNHQAMAGJQC-MSOLQXFVSA-N 1 3 318.461 2.471 20 0 DEADHO CCN(CC)[C@H](CNC(=O)/C=C/C[NH+](C)C)c1ccccc1 ZINC000264615652 402890829 /nfs/dbraw/zinc/89/08/29/402890829.db2.gz JJWJJJQZCWHVDG-JIIJFUIFSA-N 1 3 303.450 2.304 20 0 DEADHO CCC[C@@H](N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000272412262 402933812 /nfs/dbraw/zinc/93/38/12/402933812.db2.gz FQOJYQHJLVQHAS-WMLDXEAASA-N 1 3 319.449 2.473 20 0 DEADHO CCC[C@@H](N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000272412262 402933814 /nfs/dbraw/zinc/93/38/14/402933814.db2.gz FQOJYQHJLVQHAS-WMLDXEAASA-N 1 3 319.449 2.473 20 0 DEADHO C[C@H](CC(N)=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000267271012 403031236 /nfs/dbraw/zinc/03/12/36/403031236.db2.gz SGPIEHKVGONICK-CABCVRRESA-N 1 3 303.450 2.415 20 0 DEADHO C[C@H](CC(N)=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000267271012 403031237 /nfs/dbraw/zinc/03/12/37/403031237.db2.gz SGPIEHKVGONICK-CABCVRRESA-N 1 3 303.450 2.415 20 0 DEADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NCCN(C)Cc1ccccc1 ZINC000273197460 402981628 /nfs/dbraw/zinc/98/16/28/402981628.db2.gz JDYQHCSJLXOKNU-OAHLLOKOSA-N 1 3 305.466 2.401 20 0 DEADHO CC(C)[C@@H](C)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000274656148 403075149 /nfs/dbraw/zinc/07/51/49/403075149.db2.gz ODQZJBMCJHJCFG-WBVHZDCISA-N 1 3 305.466 2.382 20 0 DEADHO CC(C)[C@@H](C)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000274656148 403075152 /nfs/dbraw/zinc/07/51/52/403075152.db2.gz ODQZJBMCJHJCFG-WBVHZDCISA-N 1 3 305.466 2.382 20 0 DEADHO Cc1cc(NCCCN2CCN(c3ccncc3)CC2)cc[nH+]1 ZINC000274811733 403090003 /nfs/dbraw/zinc/09/00/03/403090003.db2.gz NJJBKVPXZZCDJL-UHFFFAOYSA-N 1 3 311.433 2.409 20 0 DEADHO Cc1nccn1CC[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000268797962 403115186 /nfs/dbraw/zinc/11/51/86/403115186.db2.gz IEYNPTWJSXDPLY-OAHLLOKOSA-N 1 3 316.449 2.483 20 0 DEADHO C[C@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)CC[C@@H]1[NH3+] ZINC000269287251 403128520 /nfs/dbraw/zinc/12/85/20/403128520.db2.gz SQCWOUKJVDKPMW-YOEHRIQHSA-N 1 3 301.434 2.092 20 0 DEADHO CN1CCN(CC[NH2+][C@H](c2cncc(F)c2)C2CC2)CC1(C)C ZINC000282494936 403155644 /nfs/dbraw/zinc/15/56/44/403155644.db2.gz XSDXIYJWDMEYDW-KRWDZBQOSA-N 1 3 320.456 2.287 20 0 DEADHO OC[C@H](Cc1c[nH]c2ccccc12)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000269939031 403177493 /nfs/dbraw/zinc/17/74/93/403177493.db2.gz FXEGLSAKKOKXJD-IXDOHACOSA-N 1 3 313.445 2.288 20 0 DEADHO OC[C@H](Cc1c[nH]c2ccccc12)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000269939031 403177495 /nfs/dbraw/zinc/17/74/95/403177495.db2.gz FXEGLSAKKOKXJD-IXDOHACOSA-N 1 3 313.445 2.288 20 0 DEADHO CC[NH+](CC)CCOC1CCN(CCc2cccnc2)CC1 ZINC000342623269 403285815 /nfs/dbraw/zinc/28/58/15/403285815.db2.gz UHCVKAQQLMMPKZ-UHFFFAOYSA-N 1 3 305.466 2.447 20 0 DEADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000298023343 403305529 /nfs/dbraw/zinc/30/55/29/403305529.db2.gz DWHPBWMQEVIAQS-ZBFHGGJFSA-N 1 3 317.433 2.372 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000342700570 403313584 /nfs/dbraw/zinc/31/35/84/403313584.db2.gz IECOJRCYFLPWCL-RYQLBKOJSA-N 1 3 315.461 2.328 20 0 DEADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCC1(C)C ZINC000342720500 403321123 /nfs/dbraw/zinc/32/11/23/403321123.db2.gz CCIGGEPLSHVWND-IRXDYDNUSA-N 1 3 317.477 2.054 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)NCC2CC[NH2+]CC2)cc1 ZINC000566845742 292271993 /nfs/dbraw/zinc/27/19/93/292271993.db2.gz JIJFSGJISGXGBR-KRWDZBQOSA-N 1 3 318.465 2.109 20 0 DEADHO C[C@@H](CCNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[NH+]1CCCCC1 ZINC000345672786 403430919 /nfs/dbraw/zinc/43/09/19/403430919.db2.gz SIJFDEJCBHTZLI-VYDXJSESSA-N 1 3 322.497 2.033 20 0 DEADHO c1ncn(Cc2ccccc2CNC2CC[NH+](C3CC3)CC2)n1 ZINC000298608655 403424194 /nfs/dbraw/zinc/42/41/94/403424194.db2.gz ZTSAXZUBKCXUCA-UHFFFAOYSA-N 1 3 311.433 2.043 20 0 DEADHO C[C@H]1[C@@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)CCCN1C ZINC000345792403 403486611 /nfs/dbraw/zinc/48/66/11/403486611.db2.gz UQTKGWKBQZZBQJ-RDJZCZTQSA-N 1 3 322.497 2.129 20 0 DEADHO CC1(C)CN(C(=O)c2ccc(Nc3ccncc3)cc2)CC[NH2+]1 ZINC000332113995 403487745 /nfs/dbraw/zinc/48/77/45/403487745.db2.gz JNRFHOVTAFGRDX-UHFFFAOYSA-N 1 3 310.401 2.071 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000345898908 403524595 /nfs/dbraw/zinc/52/45/95/403524595.db2.gz GHNKFGBFBVTAAH-ZACQAIPSSA-N 1 3 307.482 2.336 20 0 DEADHO C[N@H+]1CC=C(CNC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000343354944 403552077 /nfs/dbraw/zinc/55/20/77/403552077.db2.gz YOHORZVUPKMALL-UHFFFAOYSA-N 1 3 313.445 2.274 20 0 DEADHO C[N@@H+]1CC=C(CNC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000343354944 403552080 /nfs/dbraw/zinc/55/20/80/403552080.db2.gz YOHORZVUPKMALL-UHFFFAOYSA-N 1 3 313.445 2.274 20 0 DEADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000332332968 403552649 /nfs/dbraw/zinc/55/26/49/403552649.db2.gz RFCGZHVWPUGQBO-IAGOWNOFSA-N 1 3 322.497 2.021 20 0 DEADHO CCN1CCO[C@H](CNC2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000343390520 403566352 /nfs/dbraw/zinc/56/63/52/403566352.db2.gz DECWYOMYHJFFNJ-RTBURBONSA-N 1 3 317.477 2.132 20 0 DEADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cccc(F)c1 ZINC000346064358 403572186 /nfs/dbraw/zinc/57/21/86/403572186.db2.gz JASKLKWUUAXVPY-UKRRQHHQSA-N 1 3 307.413 2.064 20 0 DEADHO CC[C@@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000346087045 403573303 /nfs/dbraw/zinc/57/33/03/403573303.db2.gz UHVKZRJPEWALDU-IAGOWNOFSA-N 1 3 303.450 2.315 20 0 DEADHO CC[C@@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000346087045 403573305 /nfs/dbraw/zinc/57/33/05/403573305.db2.gz UHVKZRJPEWALDU-IAGOWNOFSA-N 1 3 303.450 2.315 20 0 DEADHO C[C@@H](C(=O)N1CCN([C@H]2C[C@@H]2C)C[C@H](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000346157366 403575725 /nfs/dbraw/zinc/57/57/25/403575725.db2.gz KITQDAOEWWKIEN-WJWMFLMHSA-N 1 3 321.509 2.436 20 0 DEADHO C[C@@H](C(=O)N1CCN([C@H]2C[C@@H]2C)C[C@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000346157366 403575727 /nfs/dbraw/zinc/57/57/27/403575727.db2.gz KITQDAOEWWKIEN-WJWMFLMHSA-N 1 3 321.509 2.436 20 0 DEADHO C[C@@H](C(=O)N1CCN([C@H]2C[C@H]2C)C[C@H](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000346157363 403576335 /nfs/dbraw/zinc/57/63/35/403576335.db2.gz KITQDAOEWWKIEN-RFSXOUPVSA-N 1 3 321.509 2.436 20 0 DEADHO C[C@@H](C(=O)N1CCN([C@H]2C[C@H]2C)C[C@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000346157363 403576339 /nfs/dbraw/zinc/57/63/39/403576339.db2.gz KITQDAOEWWKIEN-RFSXOUPVSA-N 1 3 321.509 2.436 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)CC1 ZINC000346193298 403578780 /nfs/dbraw/zinc/57/87/80/403578780.db2.gz PGJSQGYZXMRGRX-XYJFISCASA-N 1 3 321.509 2.296 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](NCCc2nccnc2C)[C@H](C)C1 ZINC000340488544 403626650 /nfs/dbraw/zinc/62/66/50/403626650.db2.gz BMNYKIYRKFJKFN-WBVHZDCISA-N 1 3 320.481 2.054 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](NCCc2nccnc2C)[C@H](C)C1 ZINC000340488544 403626655 /nfs/dbraw/zinc/62/66/55/403626655.db2.gz BMNYKIYRKFJKFN-WBVHZDCISA-N 1 3 320.481 2.054 20 0 DEADHO CC(C)[NH+](CCCNC(=O)NCC1=CCN(C)CC1)C(C)C ZINC000343699591 403697118 /nfs/dbraw/zinc/69/71/18/403697118.db2.gz ZFOPGIXVXYWYJE-UHFFFAOYSA-N 1 3 310.486 2.056 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CCCN1C ZINC000343860567 403764616 /nfs/dbraw/zinc/76/46/16/403764616.db2.gz FXTGQYNPKKAZNB-GVDBMIGSSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CCCN1C ZINC000343860567 403764622 /nfs/dbraw/zinc/76/46/22/403764622.db2.gz FXTGQYNPKKAZNB-GVDBMIGSSA-N 1 3 324.513 2.423 20 0 DEADHO CC(C)[C@H](C(=O)N(C)CCC[NH+]1CCCC1)N1CCCCC1 ZINC000343773348 403727199 /nfs/dbraw/zinc/72/71/99/403727199.db2.gz BVMKGFBTZMGLQE-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+](C)C)cc2)CCN1C ZINC000340998677 403729654 /nfs/dbraw/zinc/72/96/54/403729654.db2.gz ZHZFPHVXUXBLBC-YOEHRIQHSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1ccc2c(c1)CNC2 ZINC000347500155 403732241 /nfs/dbraw/zinc/73/22/41/403732241.db2.gz GXRXNEKUJUMVJZ-OKILXGFUSA-N 1 3 301.434 2.283 20 0 DEADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1ccc2c(c1)CNC2 ZINC000347500155 403732243 /nfs/dbraw/zinc/73/22/43/403732243.db2.gz GXRXNEKUJUMVJZ-OKILXGFUSA-N 1 3 301.434 2.283 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000343804586 403741004 /nfs/dbraw/zinc/74/10/04/403741004.db2.gz XJUOWYLJUOTQJA-JQHSSLGASA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCN1CCC(C)CC1 ZINC000302990151 403744828 /nfs/dbraw/zinc/74/48/28/403744828.db2.gz LDPONCYRNSOHNS-SJORKVTESA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCN1CCC(C)CC1 ZINC000302990151 403744833 /nfs/dbraw/zinc/74/48/33/403744833.db2.gz LDPONCYRNSOHNS-SJORKVTESA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NCC[NH2+]C2CCCCCC2)CCN1C ZINC000333404257 403745165 /nfs/dbraw/zinc/74/51/65/403745165.db2.gz QJPQWMQKJSBXJK-GDBMZVCRSA-N 1 3 310.486 2.081 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCN1CCC[C@H](C)C1 ZINC000303613378 403756089 /nfs/dbraw/zinc/75/60/89/403756089.db2.gz OTFDNDQOULLAFO-DLBZAZTESA-N 1 3 324.513 2.282 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCCN1CCC[C@H](C)C1 ZINC000303613378 403756093 /nfs/dbraw/zinc/75/60/93/403756093.db2.gz OTFDNDQOULLAFO-DLBZAZTESA-N 1 3 324.513 2.282 20 0 DEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000567102599 292288962 /nfs/dbraw/zinc/28/89/62/292288962.db2.gz VETZYPPNNHTVJJ-ROUUACIJSA-N 1 3 323.525 2.376 20 0 DEADHO CC1(C)CCCN[C@@H]1C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000333580432 403784769 /nfs/dbraw/zinc/78/47/69/403784769.db2.gz NPYALBXZPWPGQS-CYBMUJFWSA-N 1 3 322.478 2.327 20 0 DEADHO [NH3+]C[C@H](NC(=O)N1CC[C@H](N2CCCCC2)C1)C1CCCCC1 ZINC000333771990 403854659 /nfs/dbraw/zinc/85/46/59/403854659.db2.gz CEAXMUSICMPHQD-IRXDYDNUSA-N 1 3 322.497 2.164 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000333787690 403861255 /nfs/dbraw/zinc/86/12/55/403861255.db2.gz FRIMZMYFMILKIF-IKGGRYGDSA-N 1 3 322.497 2.162 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000341324047 403909607 /nfs/dbraw/zinc/90/96/07/403909607.db2.gz MWAXMZFIKBMOAK-RHSMWYFYSA-N 1 3 322.497 2.033 20 0 DEADHO O[C@H](CNC1CC(c2cc(F)cc(F)c2)C1)C[NH+]1CCCC1 ZINC000347884660 403930128 /nfs/dbraw/zinc/93/01/28/403930128.db2.gz XCKSRQRHYJUKMO-QWFMPGPPSA-N 1 3 310.388 2.257 20 0 DEADHO CCN1C[C@H](C)[C@H]([NH2+]CCc2ccc(OCCN(C)C)cc2)C1 ZINC000344143472 403938406 /nfs/dbraw/zinc/93/84/06/403938406.db2.gz ANRRSJQBKDZZSG-QFBILLFUSA-N 1 3 319.493 2.099 20 0 DEADHO C[C@H]1CCNC(=O)[C@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411701406 403943172 /nfs/dbraw/zinc/94/31/72/403943172.db2.gz ZTELVWBCIVWAQS-YJBOKZPZSA-N 1 3 315.461 2.287 20 0 DEADHO CCOC1CC(CN2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC000351844893 403956434 /nfs/dbraw/zinc/95/64/34/403956434.db2.gz OITHALHUTKZYGN-YXWAVELNSA-N 1 3 323.525 2.292 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N[C@H]2CCCN(C)[C@@H]2C)CC1 ZINC000344261243 404016228 /nfs/dbraw/zinc/01/62/28/404016228.db2.gz VYHOWZRCWNUYGL-ZBFHGGJFSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1C[C@H](N(C)C(=O)C2(N)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000296086586 404087296 /nfs/dbraw/zinc/08/72/96/404087296.db2.gz QYTNVYUPFHSXSR-NVXWUHKLSA-N 1 3 315.461 2.379 20 0 DEADHO C[C@@H]1C[C@H](N(C)C(=O)C2(N)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000296086586 404087299 /nfs/dbraw/zinc/08/72/99/404087299.db2.gz QYTNVYUPFHSXSR-NVXWUHKLSA-N 1 3 315.461 2.379 20 0 DEADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000323928331 404096005 /nfs/dbraw/zinc/09/60/05/404096005.db2.gz XDOOUQUQAPRFSP-WNRNVDISSA-N 1 3 319.493 2.099 20 0 DEADHO COc1cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc(OC)c1OC ZINC000324243327 404099179 /nfs/dbraw/zinc/09/91/79/404099179.db2.gz ZOFFMEUILPCQNE-GASCZTMLSA-N 1 3 320.433 2.144 20 0 DEADHO CC(C)N1CCN(C2CC[NH+](C[C@H]3CCC=CO3)CC2)CC1 ZINC000369325864 404047503 /nfs/dbraw/zinc/04/75/03/404047503.db2.gz ARYMFFIBDHXHNW-GOSISDBHSA-N 1 3 307.482 2.170 20 0 DEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc2c(c1)CCC(=O)N2C ZINC000290320036 404123677 /nfs/dbraw/zinc/12/36/77/404123677.db2.gz CVUYLZPUJQIAAR-PBHICJAKSA-N 1 3 315.461 2.368 20 0 DEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc2c(c1)CCC(=O)N2C ZINC000290320036 404123683 /nfs/dbraw/zinc/12/36/83/404123683.db2.gz CVUYLZPUJQIAAR-PBHICJAKSA-N 1 3 315.461 2.368 20 0 DEADHO CN(C)Cc1cccc(CNC(=O)C[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000296174876 404128067 /nfs/dbraw/zinc/12/80/67/404128067.db2.gz XLBHKGXMZCJFII-IAGOWNOFSA-N 1 3 303.450 2.272 20 0 DEADHO Cc1ccccc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000369766439 404221615 /nfs/dbraw/zinc/22/16/15/404221615.db2.gz LRNLPSKVAMJBQP-MJGOQNOKSA-N 1 3 301.478 2.453 20 0 DEADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000352154953 404182778 /nfs/dbraw/zinc/18/27/78/404182778.db2.gz RJXOOOCDLNTUQP-HYVNUMGLSA-N 1 3 324.513 2.231 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NCCC[NH+]1CCCCC1 ZINC000349846476 404224122 /nfs/dbraw/zinc/22/41/22/404224122.db2.gz MICGTGJMFORJGC-UHFFFAOYSA-N 1 3 324.513 2.380 20 0 DEADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCCN(CC2CCC2)CC1 ZINC000412310909 404240120 /nfs/dbraw/zinc/24/01/20/404240120.db2.gz NBNSZKJSKAXVBN-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000344648838 404283553 /nfs/dbraw/zinc/28/35/53/404283553.db2.gz UEZPSBFXAIGBCV-INIZCTEOSA-N 1 3 309.498 2.343 20 0 DEADHO [NH3+][C@@H]1CCC[C@H]2CN(CCc3nc(-c4ccccc4)no3)C[C@H]21 ZINC000342079054 404353938 /nfs/dbraw/zinc/35/39/38/404353938.db2.gz DFGQILSJGQXAAC-ARFHVFGLSA-N 1 3 312.417 2.338 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000356277844 404418936 /nfs/dbraw/zinc/41/89/36/404418936.db2.gz JJUCRXVRNAUYCF-IBGZPJMESA-N 1 3 315.461 2.306 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000356277844 404418946 /nfs/dbraw/zinc/41/89/46/404418946.db2.gz JJUCRXVRNAUYCF-IBGZPJMESA-N 1 3 315.461 2.306 20 0 DEADHO CN(C)[C@@]1(C[NH2+]C2CCN(c3ccncc3)CC2)CCSC1 ZINC000297693261 404591885 /nfs/dbraw/zinc/59/18/85/404591885.db2.gz PXMRAUDEXNLRQU-QGZVFWFLSA-N 1 3 320.506 2.077 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C[C@@H](C)C1 ZINC000414203231 404547105 /nfs/dbraw/zinc/54/71/05/404547105.db2.gz UXXCFFAUZRHIHT-PIIMJCKOSA-N 1 3 323.525 2.197 20 0 DEADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)C1CCCCC1 ZINC000414207198 404548976 /nfs/dbraw/zinc/54/89/76/404548976.db2.gz ZHMXPYNLQQGNET-QGZVFWFLSA-N 1 3 323.525 2.341 20 0 DEADHO CCC(CC)[C@H](CNC(=O)NC[C@H]1CCCN1C)[NH+]1CCCC1 ZINC000338804229 404556379 /nfs/dbraw/zinc/55/63/79/404556379.db2.gz LDYAKWPQOAZWEN-SJORKVTESA-N 1 3 324.513 2.280 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)C1CCN(C2CC2)CC1 ZINC000338838998 404574166 /nfs/dbraw/zinc/57/41/66/404574166.db2.gz QHDITVLBVTYWCK-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CC[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(F)cn1 ZINC000352784469 404618235 /nfs/dbraw/zinc/61/82/35/404618235.db2.gz UURJQCHBKWVUGJ-MRXNPFEDSA-N 1 3 308.445 2.287 20 0 DEADHO CN(C[C@@H](O)CN(C)C(C)(C)C[NH+]1CCCCCC1)C1CC1 ZINC000351610203 404670077 /nfs/dbraw/zinc/67/00/77/404670077.db2.gz NMMNSUMALUEVRU-QGZVFWFLSA-N 1 3 311.514 2.028 20 0 DEADHO COCc1cccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000414798782 404738914 /nfs/dbraw/zinc/73/89/14/404738914.db2.gz ZGMLOOZAMUNUDR-MSOLQXFVSA-N 1 3 304.434 2.161 20 0 DEADHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC[C@H](C)N ZINC000414822526 404741796 /nfs/dbraw/zinc/74/17/96/404741796.db2.gz MWROPIPTNNPGSM-UONOGXRCSA-N 1 3 317.433 2.168 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)NC[C@H]2CCC[NH2+]C2)c1 ZINC000414823958 404742575 /nfs/dbraw/zinc/74/25/75/404742575.db2.gz FGRIAUYAVHWBQQ-KBPBESRZSA-N 1 3 305.422 2.002 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCNC2)c1 ZINC000414823958 404742577 /nfs/dbraw/zinc/74/25/77/404742577.db2.gz FGRIAUYAVHWBQQ-KBPBESRZSA-N 1 3 305.422 2.002 20 0 DEADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)CN(C)C(C)C)[NH+](C)C ZINC000357851548 404746533 /nfs/dbraw/zinc/74/65/33/404746533.db2.gz ASJKEYFCELPRQW-MAUKXSAKSA-N 1 3 305.466 2.443 20 0 DEADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000414839441 404746573 /nfs/dbraw/zinc/74/65/73/404746573.db2.gz XMKMIKZGAAPSJH-KGLIPLIRSA-N 1 3 305.422 2.002 20 0 DEADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCNC2)cc1 ZINC000414839441 404746578 /nfs/dbraw/zinc/74/65/78/404746578.db2.gz XMKMIKZGAAPSJH-KGLIPLIRSA-N 1 3 305.422 2.002 20 0 DEADHO CN1CCC(CC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000366020113 404748785 /nfs/dbraw/zinc/74/87/85/404748785.db2.gz ZPEGJEICDASUGZ-QGZVFWFLSA-N 1 3 307.482 2.195 20 0 DEADHO COC[C@@]1(C[NH2+]C2CCN(c3ccccc3)CC2)CCCN1 ZINC000414943022 404772279 /nfs/dbraw/zinc/77/22/79/404772279.db2.gz KXAXYSGXURIYCY-SFHVURJKSA-N 1 3 303.450 2.014 20 0 DEADHO C[C@@H]1C[C@H](CN(C)Cc2cn(C)nc2C(F)(F)F)CC[NH2+]1 ZINC000414708951 404713433 /nfs/dbraw/zinc/71/34/33/404713433.db2.gz OHDMQRSNKWJBHM-GHMZBOCLSA-N 1 3 304.360 2.259 20 0 DEADHO Cc1ccc(C)c(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000414990226 404782554 /nfs/dbraw/zinc/78/25/54/404782554.db2.gz RJTBSQSUJQVKHO-OAHLLOKOSA-N 1 3 315.383 2.229 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000376079750 404799511 /nfs/dbraw/zinc/79/95/11/404799511.db2.gz GQFLYWFTFQZEKS-JYJNAYRXSA-N 1 3 322.497 2.033 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000376079750 404799516 /nfs/dbraw/zinc/79/95/16/404799516.db2.gz GQFLYWFTFQZEKS-JYJNAYRXSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](C(=O)N1CCCCC1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000377404387 404837335 /nfs/dbraw/zinc/83/73/35/404837335.db2.gz VEHMKZLMSKBOIH-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)(C[NH2+]C[C@@H]1CCCN(C(=O)CN)C1)Cc1ccccc1 ZINC000415084738 404804045 /nfs/dbraw/zinc/80/40/45/404804045.db2.gz PNALZUBXNRQOCA-KRWDZBQOSA-N 1 3 317.477 2.042 20 0 DEADHO COc1ccc(-n2ccc(CNC[C@@H]3CC[NH2+][C@@H](C)C3)n2)cc1 ZINC000415097729 404807242 /nfs/dbraw/zinc/80/72/42/404807242.db2.gz DFAVGOVECCIUCP-LSDHHAIUSA-N 1 3 314.433 2.359 20 0 DEADHO COc1ccc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000415137687 404816489 /nfs/dbraw/zinc/81/64/89/404816489.db2.gz YFUTYIVMXBYGAX-MSOLQXFVSA-N 1 3 304.434 2.414 20 0 DEADHO C[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000376330244 404819290 /nfs/dbraw/zinc/81/92/90/404819290.db2.gz CENJDVGVXPYESE-DLBZAZTESA-N 1 3 317.477 2.403 20 0 DEADHO COC[C@@]1(C[NH2+][C@@H](C)CCc2ccc(OC)cc2)CCCN1 ZINC000414954707 404775011 /nfs/dbraw/zinc/77/50/11/404775011.db2.gz LWVMFHKWIUFEJX-YJBOKZPZSA-N 1 3 306.450 2.375 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](COC)C2)CC1 ZINC000353613669 404884644 /nfs/dbraw/zinc/88/46/44/404884644.db2.gz OVPWJEQBBOJWGZ-KRWDZBQOSA-N 1 3 317.477 2.297 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@H](COC)C2)CC1 ZINC000353613669 404884649 /nfs/dbraw/zinc/88/46/49/404884649.db2.gz OVPWJEQBBOJWGZ-KRWDZBQOSA-N 1 3 317.477 2.297 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000415567258 404885721 /nfs/dbraw/zinc/88/57/21/404885721.db2.gz JNQDMOKXNDKJEK-KRWDZBQOSA-N 1 3 318.465 2.430 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000415571519 404887287 /nfs/dbraw/zinc/88/72/87/404887287.db2.gz MRVIWRSFMFZZGI-INIZCTEOSA-N 1 3 318.465 2.300 20 0 DEADHO CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000353638796 404897031 /nfs/dbraw/zinc/89/70/31/404897031.db2.gz ORGQJJQNJLWPSN-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000360888740 404845117 /nfs/dbraw/zinc/84/51/17/404845117.db2.gz ONPABSDVEQDYBG-GVDBMIGSSA-N 1 3 324.513 2.233 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000360888740 404845119 /nfs/dbraw/zinc/84/51/19/404845119.db2.gz ONPABSDVEQDYBG-GVDBMIGSSA-N 1 3 324.513 2.233 20 0 DEADHO CN1CC[C@H]([NH2+]Cc2ccccc2OCCO)[C@@H]2CCC[C@@H]21 ZINC000353513876 404853915 /nfs/dbraw/zinc/85/39/15/404853915.db2.gz FRZMBRWVISTHDA-ULQDDVLXSA-N 1 3 304.434 2.020 20 0 DEADHO C[NH+]1CCC2(CCCN(CC(=O)N3CCCCCC3)C2)CC1 ZINC000366904388 404867661 /nfs/dbraw/zinc/86/76/61/404867661.db2.gz RHRHUEJGIBTTCZ-UHFFFAOYSA-N 1 3 307.482 2.197 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000423975670 404956259 /nfs/dbraw/zinc/95/62/59/404956259.db2.gz OFBKUBBVBYWGQY-ROUUACIJSA-N 1 3 315.461 2.352 20 0 DEADHO O=C(Nc1ccc2c(c1)CNCC2)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000415879947 404960394 /nfs/dbraw/zinc/96/03/94/404960394.db2.gz DBXGWUNSFOFSEX-DLBZAZTESA-N 1 3 314.433 2.081 20 0 DEADHO O=C(Nc1ccc2c(c1)CNCC2)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000415879947 404960398 /nfs/dbraw/zinc/96/03/98/404960398.db2.gz DBXGWUNSFOFSEX-DLBZAZTESA-N 1 3 314.433 2.081 20 0 DEADHO CN1CCCN(CCC[NH2+]C2CCC3(CCOCC3)CC2)CC1 ZINC000361184109 404961640 /nfs/dbraw/zinc/96/16/40/404961640.db2.gz KSRAMXNKQHTCGJ-UHFFFAOYSA-N 1 3 323.525 2.343 20 0 DEADHO CN(CCC[NH+]1CCCC1)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415891515 404964261 /nfs/dbraw/zinc/96/42/61/404964261.db2.gz GUZCTOZNTAUUQU-UHFFFAOYSA-N 1 3 316.449 2.282 20 0 DEADHO CC[NH2+]Cc1cccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)c1 ZINC000415908781 404968734 /nfs/dbraw/zinc/96/87/34/404968734.db2.gz QOZCTBXZVYTIRU-KRWDZBQOSA-N 1 3 314.433 2.274 20 0 DEADHO C[C@@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C[C@H]1C[NH3+] ZINC000424010927 404969950 /nfs/dbraw/zinc/96/99/50/404969950.db2.gz IUXQVEBMSIPKKH-CRAIPNDOSA-N 1 3 315.461 2.339 20 0 DEADHO CN(C)[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000416817609 404923344 /nfs/dbraw/zinc/92/33/44/404923344.db2.gz YVQJYZFFFHBNCJ-GVDBMIGSSA-N 1 3 318.465 2.106 20 0 DEADHO C[C@H]1[NH2+]CCN(C(=O)c2ccc(Nc3ccncc3)cc2)[C@@H]1C ZINC000434700320 404925513 /nfs/dbraw/zinc/92/55/13/404925513.db2.gz SWEIRWMLVLSBTA-ZIAGYGMSSA-N 1 3 310.401 2.070 20 0 DEADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000416829764 404926577 /nfs/dbraw/zinc/92/65/77/404926577.db2.gz NNEAZIIZNPCEAO-HUUCEWRRSA-N 1 3 310.486 2.020 20 0 DEADHO CC(C)(CNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])N1CCCCC1 ZINC000416838787 404929238 /nfs/dbraw/zinc/92/92/38/404929238.db2.gz ZHDDTSOGSAWHCF-HUUCEWRRSA-N 1 3 310.486 2.068 20 0 DEADHO CC(C)(CNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)N1CCCCC1 ZINC000416837538 404929289 /nfs/dbraw/zinc/92/92/89/404929289.db2.gz XHKPOXOUPSCRII-LSDHHAIUSA-N 1 3 310.486 2.068 20 0 DEADHO CC[NH2+]CC1CCN(C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000416838507 404929603 /nfs/dbraw/zinc/92/96/03/404929603.db2.gz YUACFZFNTLJTGE-UHFFFAOYSA-N 1 3 324.513 2.282 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000423937537 404936627 /nfs/dbraw/zinc/93/66/27/404936627.db2.gz GUODJMANMKHMAN-GOSISDBHSA-N 1 3 315.461 2.239 20 0 DEADHO CCN(Cc1ccc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1)C1CC1 ZINC000423957175 404947498 /nfs/dbraw/zinc/94/74/98/404947498.db2.gz UJCFRZSCKZZYNM-SFHVURJKSA-N 1 3 315.461 2.480 20 0 DEADHO C[C@@H]([NH3+])C1CCN(C(=O)NCc2ccc(CN(C)C)cc2)CC1 ZINC000416885005 404949672 /nfs/dbraw/zinc/94/96/72/404949672.db2.gz LIFHLMOUOWTXFR-CQSZACIVSA-N 1 3 318.465 2.017 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000416888403 404950823 /nfs/dbraw/zinc/95/08/23/404950823.db2.gz OWROHBUPKYRIOD-MRXNPFEDSA-N 1 3 318.465 2.019 20 0 DEADHO Cc1nccn1CCCCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000367310318 405007916 /nfs/dbraw/zinc/00/79/16/405007916.db2.gz PXNQOBMBUQHWTH-OKZBNKHCSA-N 1 3 320.481 2.155 20 0 DEADHO CO[C@@H]1CCN(C[C@@H](C)C[N@@H+]2CC[C@H](OC)[C@@H](C)C2)C[C@@H]1C ZINC000451557841 405011883 /nfs/dbraw/zinc/01/18/83/405011883.db2.gz FLINDWXAOJXIKU-KFGODFMUSA-N 1 3 312.498 2.336 20 0 DEADHO CO[C@@H]1CCN(C[C@@H](C)C[N@H+]2CC[C@H](OC)[C@@H](C)C2)C[C@@H]1C ZINC000451557841 405011886 /nfs/dbraw/zinc/01/18/86/405011886.db2.gz FLINDWXAOJXIKU-KFGODFMUSA-N 1 3 312.498 2.336 20 0 DEADHO CO[C@@H]1CC[N@@H+](C[C@@H](C)CN2CC[C@H](OC)[C@@H](C)C2)C[C@@H]1C ZINC000451557841 405011891 /nfs/dbraw/zinc/01/18/91/405011891.db2.gz FLINDWXAOJXIKU-KFGODFMUSA-N 1 3 312.498 2.336 20 0 DEADHO CO[C@@H]1CC[N@H+](C[C@@H](C)CN2CC[C@H](OC)[C@@H](C)C2)C[C@@H]1C ZINC000451557841 405011903 /nfs/dbraw/zinc/01/19/03/405011903.db2.gz FLINDWXAOJXIKU-KFGODFMUSA-N 1 3 312.498 2.336 20 0 DEADHO COC(=O)c1cc(CN2CCCC3(CC[NH+](C)CC3)C2)cn1C ZINC000367357063 405022510 /nfs/dbraw/zinc/02/25/10/405022510.db2.gz SXXFYTMCENZFQI-UHFFFAOYSA-N 1 3 319.449 2.120 20 0 DEADHO C[C@H](CCNC(=O)[C@@H](C)NC1CC1)[N@H+](C)Cc1ccccc1 ZINC000379669911 405028459 /nfs/dbraw/zinc/02/84/59/405028459.db2.gz HUKBFERNXWMTSM-HUUCEWRRSA-N 1 3 303.450 2.154 20 0 DEADHO C[C@H](CCNC(=O)[C@@H](C)NC1CC1)[N@@H+](C)Cc1ccccc1 ZINC000379669911 405028477 /nfs/dbraw/zinc/02/84/77/405028477.db2.gz HUKBFERNXWMTSM-HUUCEWRRSA-N 1 3 303.450 2.154 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N(C)C1CC([NH3+])C1)c1ccsc1 ZINC000417005923 404996182 /nfs/dbraw/zinc/99/61/82/404996182.db2.gz JEBWQGSMIRLSGB-YMAMQOFZSA-N 1 3 324.494 2.262 20 0 DEADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc2c(c1)CNC2 ZINC000415988245 404996747 /nfs/dbraw/zinc/99/67/47/404996747.db2.gz CEOSXLIGSMYSRQ-DYVFJYSZSA-N 1 3 314.433 2.380 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)N1CCN[C@@H](C)C1)c1ccsc1 ZINC000417008633 404999027 /nfs/dbraw/zinc/99/90/27/404999027.db2.gz MFQQUODSATXMKP-DZGCQCFKSA-N 1 3 324.494 2.134 20 0 DEADHO CCN(CC)[C@H](CNC(=O)NCC(C)(C)[NH3+])c1ccsc1 ZINC000417012182 405000420 /nfs/dbraw/zinc/00/04/20/405000420.db2.gz WBXAGVHAVQZJPS-CYBMUJFWSA-N 1 3 312.483 2.168 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@H]2C[C@H](C)CC[NH2+]2)cc1 ZINC000417793190 405098681 /nfs/dbraw/zinc/09/86/81/405098681.db2.gz KEAWPIVMNMIHMV-KBRIMQKVSA-N 1 3 303.450 2.314 20 0 DEADHO Cc1cc(C)c(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])c(C)c1 ZINC000436060667 405040824 /nfs/dbraw/zinc/04/08/24/405040824.db2.gz NTYSMSYAJKICEX-QGZVFWFLSA-N 1 3 317.477 2.431 20 0 DEADHO C[C@H]1CC2(CN1CC(=O)N(C1CC1)C1CCCC1)CC[NH2+]CC2 ZINC000424293011 405059503 /nfs/dbraw/zinc/05/95/03/405059503.db2.gz PGBAKPADIBEZEZ-HNNXBMFYSA-N 1 3 319.493 2.384 20 0 DEADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCN(C)Cc1ccccc1 ZINC000417226538 405067995 /nfs/dbraw/zinc/06/79/95/405067995.db2.gz ALALCXLCUACLFE-WBVHZDCISA-N 1 3 318.465 2.030 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@H]1NCCNC(=O)CCCc1ccccc1 ZINC000424379044 405077837 /nfs/dbraw/zinc/07/78/37/405077837.db2.gz OHSNUIWAUKIART-QZTJIDSGSA-N 1 3 317.477 2.233 20 0 DEADHO NC[C@H]1CCCC[C@H]1[NH2+]CCNC(=O)CCCc1ccccc1 ZINC000424379044 405077840 /nfs/dbraw/zinc/07/78/40/405077840.db2.gz OHSNUIWAUKIART-QZTJIDSGSA-N 1 3 317.477 2.233 20 0 DEADHO Cc1cc(CN)cc(NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000424412646 405085598 /nfs/dbraw/zinc/08/55/98/405085598.db2.gz BCHWNVMRLLHTKV-AWEZNQCLSA-N 1 3 304.438 2.307 20 0 DEADHO Cc1cc(CN)cc(NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000424412646 405085600 /nfs/dbraw/zinc/08/56/00/405085600.db2.gz BCHWNVMRLLHTKV-AWEZNQCLSA-N 1 3 304.438 2.307 20 0 DEADHO Cc1cc(CN)cc(NC(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000424413688 405087628 /nfs/dbraw/zinc/08/76/28/405087628.db2.gz DTTCQWITNWJVOP-UHFFFAOYSA-N 1 3 304.438 2.448 20 0 DEADHO C[C@@H]1NCCN(C(=O)NCCCCC[NH+]2CCCCC2)[C@H]1C ZINC000417716891 405093583 /nfs/dbraw/zinc/09/35/83/405093583.db2.gz UOIRYACGDKHSQV-HOTGVXAUSA-N 1 3 310.486 2.034 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC[C@@H]1C[NH2+]C)c1ccco1 ZINC000418168351 405114323 /nfs/dbraw/zinc/11/43/23/405114323.db2.gz OBANXXCFNQULOH-RRFJBIMHSA-N 1 3 322.453 2.102 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000418361288 405123324 /nfs/dbraw/zinc/12/33/24/405123324.db2.gz UCVVRMLJUZQQMB-KBRIMQKVSA-N 1 3 318.465 2.189 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000418606568 405137078 /nfs/dbraw/zinc/13/70/78/405137078.db2.gz QHQMSPSTOICCAQ-IRXDYDNUSA-N 1 3 324.513 2.425 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000418657813 405154731 /nfs/dbraw/zinc/15/47/31/405154731.db2.gz UZJVGLVHFVTLNN-DLBZAZTESA-N 1 3 320.481 2.264 20 0 DEADHO CC[C@@H]([NH3+])CNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000418688169 405167240 /nfs/dbraw/zinc/16/72/40/405167240.db2.gz ATHKEDPSLWWHQR-DOTOQJQBSA-N 1 3 318.465 2.030 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418715705 405179418 /nfs/dbraw/zinc/17/94/18/405179418.db2.gz ITKKMDACYOVATL-CVEARBPZSA-N 1 3 324.513 2.267 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418764303 405197180 /nfs/dbraw/zinc/19/71/80/405197180.db2.gz JAPPEJWAUXTJFN-KRWDZBQOSA-N 1 3 324.513 2.426 20 0 DEADHO C[C@@H](CCCC[NH3+])NC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000418692657 405169108 /nfs/dbraw/zinc/16/91/08/405169108.db2.gz IRAIQYMMTKMTCA-GJZGRUSLSA-N 1 3 310.486 2.020 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000418709537 405176407 /nfs/dbraw/zinc/17/64/07/405176407.db2.gz RLEFEDWMATXYET-CQSZACIVSA-N 1 3 324.444 2.026 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000368300162 405234844 /nfs/dbraw/zinc/23/48/44/405234844.db2.gz VMZZIMBKTAOSLY-INIZCTEOSA-N 1 3 303.450 2.305 20 0 DEADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000420294113 405309226 /nfs/dbraw/zinc/30/92/26/405309226.db2.gz SKLNQWZNBAZOQZ-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000420299823 405310965 /nfs/dbraw/zinc/31/09/65/405310965.db2.gz JLVOZXBLOUQMTA-XLAORIBOSA-N 1 3 320.502 2.277 20 0 DEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000420299823 405310967 /nfs/dbraw/zinc/31/09/67/405310967.db2.gz JLVOZXBLOUQMTA-XLAORIBOSA-N 1 3 320.502 2.277 20 0 DEADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCS[C@@H]2CCCC[C@@H]21 ZINC000420299823 405310969 /nfs/dbraw/zinc/31/09/69/405310969.db2.gz JLVOZXBLOUQMTA-XLAORIBOSA-N 1 3 320.502 2.277 20 0 DEADHO CCc1ccc(CN2CCN(CC[C@@H]3CC[NH2+]C3)CC2)s1 ZINC000420307284 405312781 /nfs/dbraw/zinc/31/27/81/405312781.db2.gz BKLDXVAJKQVIJL-HNNXBMFYSA-N 1 3 307.507 2.428 20 0 DEADHO CCCN(CC[C@H]1CC[NH2+]C1)CC(=O)Nc1ccccc1OC ZINC000420315943 405317115 /nfs/dbraw/zinc/31/71/15/405317115.db2.gz LYZCIVWJQSQJDX-OAHLLOKOSA-N 1 3 319.449 2.345 20 0 DEADHO CCCN(CCOc1ccccc1C(=O)OC)C1CC[NH2+]CC1 ZINC000420327913 405320835 /nfs/dbraw/zinc/32/08/35/405320835.db2.gz ZJVDOXSJEMIYKR-UHFFFAOYSA-N 1 3 320.433 2.316 20 0 DEADHO CCC[N@H+](CCOc1ccccc1C(=O)OC)C1CCNCC1 ZINC000420327913 405320836 /nfs/dbraw/zinc/32/08/36/405320836.db2.gz ZJVDOXSJEMIYKR-UHFFFAOYSA-N 1 3 320.433 2.316 20 0 DEADHO CCC[N@@H+](CCOc1ccccc1C(=O)OC)C1CCNCC1 ZINC000420327913 405320837 /nfs/dbraw/zinc/32/08/37/405320837.db2.gz ZJVDOXSJEMIYKR-UHFFFAOYSA-N 1 3 320.433 2.316 20 0 DEADHO C[C@@H]1CCCC[C@H]1OCCN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420333603 405323292 /nfs/dbraw/zinc/32/32/92/405323292.db2.gz OEZQTJYDPRODCU-DDBAPUKQSA-N 1 3 310.482 2.410 20 0 DEADHO C[C@H]1CC[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)[C@@H](CN)C1 ZINC000420333096 405323496 /nfs/dbraw/zinc/32/34/96/405323496.db2.gz JWTHLEQOBJXGKG-XHDPSFHLSA-N 1 3 311.376 2.353 20 0 DEADHO C[C@H]1CC[N@@H+](CCC(=O)Nc2cc(F)cc(F)c2)[C@@H](CN)C1 ZINC000420333096 405323498 /nfs/dbraw/zinc/32/34/98/405323498.db2.gz JWTHLEQOBJXGKG-XHDPSFHLSA-N 1 3 311.376 2.353 20 0 DEADHO CN(C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)C1CCCCC1 ZINC000420341442 405325407 /nfs/dbraw/zinc/32/54/07/405325407.db2.gz OMILWLBPJKZXSH-HOTGVXAUSA-N 1 3 307.482 2.099 20 0 DEADHO Cc1cccc(-c2noc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)c1 ZINC000420344546 405327015 /nfs/dbraw/zinc/32/70/15/405327015.db2.gz TXCJEOAKYHAWIH-IYBDPMFKSA-N 1 3 312.417 2.476 20 0 DEADHO COc1ccccc1[C@H]1CC[C@H](C)CN1CCN1CC[NH2+]CC1 ZINC000420372601 405336077 /nfs/dbraw/zinc/33/60/77/405336077.db2.gz LOJGVOLWZDMJLV-FUHWJXTLSA-N 1 3 317.477 2.373 20 0 DEADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(CCOc2ccccc2F)CC1 ZINC000420373338 405336097 /nfs/dbraw/zinc/33/60/97/405336097.db2.gz GFIOPZCZELOWCG-SJLPKXTDSA-N 1 3 322.424 2.423 20 0 DEADHO CN1CCN(CC[NH2+]C2C3CC4CC(C3)CC2C4)CC1(C)C ZINC000442881102 405337173 /nfs/dbraw/zinc/33/71/73/405337173.db2.gz YWTGGGCNAXDNBC-UHFFFAOYSA-N 1 3 305.510 2.427 20 0 DEADHO CC(C)O[C@@H]1C[C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C1(C)C ZINC000442872703 405337203 /nfs/dbraw/zinc/33/72/03/405337203.db2.gz ITGBEUCDVNFXGF-HZPDHXFCSA-N 1 3 311.514 2.194 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NCCCC[N@H+](C)C1CC1 ZINC000454490448 405353089 /nfs/dbraw/zinc/35/30/89/405353089.db2.gz SJWSDRKCSWHNQZ-MRXNPFEDSA-N 1 3 310.486 2.034 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000454490448 405353092 /nfs/dbraw/zinc/35/30/92/405353092.db2.gz SJWSDRKCSWHNQZ-MRXNPFEDSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@@H]1CN(CCC2CC[NH+](CC3(C)COC3)CC2)C[C@H](C)O1 ZINC000426774268 405378676 /nfs/dbraw/zinc/37/86/76/405378676.db2.gz NNXQCIDTFLPOLQ-IYBDPMFKSA-N 1 3 310.482 2.234 20 0 DEADHO C[C@@H](C(=O)NCC1CC[NH+](C2CC2)CC1)N1[C@H](C)CC[C@H]1C ZINC000446445352 405382760 /nfs/dbraw/zinc/38/27/60/405382760.db2.gz TYELNJAQSICIOM-KFWWJZLASA-N 1 3 307.482 2.238 20 0 DEADHO CC(C)N1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000427190210 405394219 /nfs/dbraw/zinc/39/42/19/405394219.db2.gz APPKELYSWVJPIX-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO C[N@H+](CCCCNC(=O)N1CC[C@@H](N2CCCCC2)C1)C1CC1 ZINC000455620135 405435960 /nfs/dbraw/zinc/43/59/60/405435960.db2.gz SAJUUSTZUDHNNC-QGZVFWFLSA-N 1 3 322.497 2.131 20 0 DEADHO C[N@@H+](CCCCNC(=O)N1CC[C@@H](N2CCCCC2)C1)C1CC1 ZINC000455620135 405435963 /nfs/dbraw/zinc/43/59/63/405435963.db2.gz SAJUUSTZUDHNNC-QGZVFWFLSA-N 1 3 322.497 2.131 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N(C)C[C@H]2CCC[N@@H+]2C)c1 ZINC000421076979 405444339 /nfs/dbraw/zinc/44/43/39/405444339.db2.gz BHBPKSNDUZSYSE-MRXNPFEDSA-N 1 3 304.438 2.306 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N(C)C[C@H]2CCC[N@H+]2C)c1 ZINC000421076979 405444341 /nfs/dbraw/zinc/44/43/41/405444341.db2.gz BHBPKSNDUZSYSE-MRXNPFEDSA-N 1 3 304.438 2.306 20 0 DEADHO CC[C@H]1CCC[C@@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000448838743 405454537 /nfs/dbraw/zinc/45/45/37/405454537.db2.gz WZCYMHOMZSPHHP-YJBOKZPZSA-N 1 3 321.509 2.488 20 0 DEADHO COc1cccc(NC(=O)CC[N@@H+]2CCCC[C@H]2[C@@H](C)N)c1 ZINC000430614264 405466705 /nfs/dbraw/zinc/46/67/05/405466705.db2.gz YVGHSFDNNYNASJ-CJNGLKHVSA-N 1 3 305.422 2.226 20 0 DEADHO COc1cccc(NC(=O)CC[N@H+]2CCCC[C@H]2[C@@H](C)N)c1 ZINC000430614264 405466706 /nfs/dbraw/zinc/46/67/06/405466706.db2.gz YVGHSFDNNYNASJ-CJNGLKHVSA-N 1 3 305.422 2.226 20 0 DEADHO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCC(C[NH3+])CC1 ZINC000430619608 405467697 /nfs/dbraw/zinc/46/76/97/405467697.db2.gz ABTACDNSIPPFGY-GJZGRUSLSA-N 1 3 303.450 2.231 20 0 DEADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CCN1C1CCCC1 ZINC000635747793 405471972 /nfs/dbraw/zinc/47/19/72/405471972.db2.gz XFKYMGWIYRFXIU-PBHICJAKSA-N 1 3 307.482 2.192 20 0 DEADHO CCN1CCC([N@@H+]2CCCN(Cc3c(C)n[nH]c3C)CC2)CC1 ZINC000421373036 405477575 /nfs/dbraw/zinc/47/75/75/405477575.db2.gz MAOHIRGDNCMPBC-UHFFFAOYSA-N 1 3 319.497 2.019 20 0 DEADHO CCN1CCC([N@H+]2CCCN(Cc3c(C)n[nH]c3C)CC2)CC1 ZINC000421373036 405477579 /nfs/dbraw/zinc/47/75/79/405477579.db2.gz MAOHIRGDNCMPBC-UHFFFAOYSA-N 1 3 319.497 2.019 20 0 DEADHO CC[NH+]1CCC(N2CCCN(Cc3c(C)n[nH]c3C)CC2)CC1 ZINC000421373036 405477585 /nfs/dbraw/zinc/47/75/85/405477585.db2.gz MAOHIRGDNCMPBC-UHFFFAOYSA-N 1 3 319.497 2.019 20 0 DEADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCc2sccc2C1 ZINC000430649142 405480866 /nfs/dbraw/zinc/48/08/66/405480866.db2.gz IFIHYBWWDHRODV-ZFWWWQNUSA-N 1 3 321.490 2.225 20 0 DEADHO C[C@H](N)[C@@H]1CCCC[N@H+]1CCC(=O)N1CCc2sccc2C1 ZINC000430649142 405480872 /nfs/dbraw/zinc/48/08/72/405480872.db2.gz IFIHYBWWDHRODV-ZFWWWQNUSA-N 1 3 321.490 2.225 20 0 DEADHO CCC[C@](C)([NH3+])C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000430699697 405492400 /nfs/dbraw/zinc/49/24/00/405492400.db2.gz JDDKKQMGKMLACD-SFHVURJKSA-N 1 3 319.449 2.099 20 0 DEADHO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCC2(CC[NH2+]C2)CC1 ZINC000431014410 405561290 /nfs/dbraw/zinc/56/12/90/405561290.db2.gz NJDPAKMPFWKQEX-HZPDHXFCSA-N 1 3 307.482 2.242 20 0 DEADHO O=C(CN1CCC2(CC[NH2+]C2)CC1)NCCC1CCCCC1 ZINC000431029956 405562308 /nfs/dbraw/zinc/56/23/08/405562308.db2.gz IJRWJDYXOLOIHT-UHFFFAOYSA-N 1 3 307.482 2.149 20 0 DEADHO C[C@H](CC(=O)NC[C@H](C)N1CCCC[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000430767099 405503952 /nfs/dbraw/zinc/50/39/52/405503952.db2.gz YYDJKFUFVMDLPB-NCOADZHNSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H](CCNC(=O)[C@@H]1CCN1C1CCCC1)[NH+]1CCCCC1 ZINC000635796113 405513266 /nfs/dbraw/zinc/51/32/66/405513266.db2.gz YFLFFVRSBFHVMX-RDJZCZTQSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@H](NC(=O)NC(C)(C)CN(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458635659 405515167 /nfs/dbraw/zinc/51/51/67/405515167.db2.gz QWKVMAONBUVSTD-LSDHHAIUSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@H](NC(=O)NC(C)(C)CN(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000458635659 405515176 /nfs/dbraw/zinc/51/51/76/405515176.db2.gz QWKVMAONBUVSTD-LSDHHAIUSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H](NC(=O)NC(C)(C)CN(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458635653 405515687 /nfs/dbraw/zinc/51/56/87/405515687.db2.gz QWKVMAONBUVSTD-CABCVRRESA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H](NC(=O)NC(C)(C)CN(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000458635653 405515691 /nfs/dbraw/zinc/51/56/91/405515691.db2.gz QWKVMAONBUVSTD-CABCVRRESA-N 1 3 324.513 2.279 20 0 DEADHO Cc1ccc(CNC(=O)[C@@H](C)N2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000430924983 405529949 /nfs/dbraw/zinc/52/99/49/405529949.db2.gz CDVJSOSSGKHHRA-HUUCEWRRSA-N 1 3 303.450 2.059 20 0 DEADHO C[C@H](c1ccccc1)N(C)C(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000431038449 405567094 /nfs/dbraw/zinc/56/70/94/405567094.db2.gz OFYQLKZVBZYLGH-MRXNPFEDSA-N 1 3 315.461 2.282 20 0 DEADHO NCc1cccc2c1N(C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)CCC2 ZINC000638543064 405537902 /nfs/dbraw/zinc/53/79/02/405537902.db2.gz CUPNKZJZIBYAIM-DLBZAZTESA-N 1 3 313.445 2.060 20 0 DEADHO CC[N@H+](C)Cc1cccc(CNC[C@@H](OC)[C@@H]2CCOC2)c1 ZINC000638563196 405548516 /nfs/dbraw/zinc/54/85/16/405548516.db2.gz JKTVQUOIVONJFJ-QZTJIDSGSA-N 1 3 306.450 2.279 20 0 DEADHO CC[N@@H+](C)Cc1cccc(CNC[C@@H](OC)[C@@H]2CCOC2)c1 ZINC000638563196 405548521 /nfs/dbraw/zinc/54/85/21/405548521.db2.gz JKTVQUOIVONJFJ-QZTJIDSGSA-N 1 3 306.450 2.279 20 0 DEADHO C[C@@H](C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)N1CCCCCC1 ZINC000638672832 405608478 /nfs/dbraw/zinc/60/84/78/405608478.db2.gz ZOPTUXLTJFOLAR-AWEZNQCLSA-N 1 3 317.433 2.372 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CC(C)C)CC2)CC1 ZINC000557577228 405608686 /nfs/dbraw/zinc/60/86/86/405608686.db2.gz TXHWMZYPIWXFQK-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000635934473 405615676 /nfs/dbraw/zinc/61/56/76/405615676.db2.gz CHSVAMOFXSFNRF-NXHRZFHOSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000635934473 405615686 /nfs/dbraw/zinc/61/56/86/405615686.db2.gz CHSVAMOFXSFNRF-NXHRZFHOSA-N 1 3 315.461 2.107 20 0 DEADHO CO[C@@H]1COCC[C@@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000449457105 405568962 /nfs/dbraw/zinc/56/89/62/405568962.db2.gz NJQPYBGAWLKCFJ-CRAIPNDOSA-N 1 3 310.482 2.425 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000431062043 405569268 /nfs/dbraw/zinc/56/92/68/405569268.db2.gz NGMYVSGZTXHEMQ-OIISXLGYSA-N 1 3 301.434 2.080 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000431062045 405570073 /nfs/dbraw/zinc/57/00/73/405570073.db2.gz NGMYVSGZTXHEMQ-UAGQMJEPSA-N 1 3 301.434 2.080 20 0 DEADHO CCN1C[C@H]([NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1=O ZINC000449516460 405593353 /nfs/dbraw/zinc/59/33/53/405593353.db2.gz GDCBVOQEWIZYPE-KBAYOESNSA-N 1 3 315.461 2.107 20 0 DEADHO C[NH+](C)CCN(Cc1ccccc1)C(=O)CN1CCC(C)(C)C1 ZINC000557480489 405601221 /nfs/dbraw/zinc/60/12/21/405601221.db2.gz AKAZETSOZJRSHJ-UHFFFAOYSA-N 1 3 317.477 2.309 20 0 DEADHO c1[nH]c2ccccc2c1CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422737626 405678451 /nfs/dbraw/zinc/67/84/51/405678451.db2.gz ZZKSHZGZQXNWNY-BHIYHBOVSA-N 1 3 313.445 2.457 20 0 DEADHO CO[C@H](CNC[C@H]1CCC[N@H+](CC(C)C)C1)C1CCOCC1 ZINC000638787763 405668314 /nfs/dbraw/zinc/66/83/14/405668314.db2.gz BZCGCLZLZYGLMP-SJLPKXTDSA-N 1 3 312.498 2.386 20 0 DEADHO CO[C@H](CNC[C@H]1CCC[N@@H+](CC(C)C)C1)C1CCOCC1 ZINC000638787763 405668318 /nfs/dbraw/zinc/66/83/18/405668318.db2.gz BZCGCLZLZYGLMP-SJLPKXTDSA-N 1 3 312.498 2.386 20 0 DEADHO CO[C@H](C[NH2+]C[C@H]1CCCN(CC(C)C)C1)C1CCOCC1 ZINC000638787763 405668326 /nfs/dbraw/zinc/66/83/26/405668326.db2.gz BZCGCLZLZYGLMP-SJLPKXTDSA-N 1 3 312.498 2.386 20 0 DEADHO CN(C)Cc1ccc(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000568628793 292355827 /nfs/dbraw/zinc/35/58/27/292355827.db2.gz AYLOTGQMUHKZBK-SHTZXODSSA-N 1 3 303.450 2.243 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000422839596 405685958 /nfs/dbraw/zinc/68/59/58/405685958.db2.gz QUNOCGPHQLPJOK-JSQNDZKTSA-N 1 3 323.868 2.261 20 0 DEADHO CC(C)[C@@H](C[NH2+][C@H](C1CC1)[C@H]1CNCCO1)N1CCC(C)CC1 ZINC000422842020 405687361 /nfs/dbraw/zinc/68/73/61/405687361.db2.gz DZHKMKCNTORLTJ-GUDVDZBRSA-N 1 3 323.525 2.100 20 0 DEADHO CC(C)[C@@H](CN[C@H](C1CC1)[C@H]1CNCCO1)[NH+]1CCC(C)CC1 ZINC000422842020 405687366 /nfs/dbraw/zinc/68/73/66/405687366.db2.gz DZHKMKCNTORLTJ-GUDVDZBRSA-N 1 3 323.525 2.100 20 0 DEADHO CN(C)C1(C[NH2+][C@@H]2CCCCC[C@H]2N)Cc2ccccc2C1 ZINC000422776121 405680239 /nfs/dbraw/zinc/68/02/39/405680239.db2.gz DBQRVLFDGGNJLS-QZTJIDSGSA-N 1 3 301.478 2.335 20 0 DEADHO C(N[C@@H](C1CC1)[C@H]1CNCCO1)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423094103 405701308 /nfs/dbraw/zinc/70/13/08/405701308.db2.gz JIXUSDBGYJQCGB-QRVBRYPASA-N 1 3 321.509 2.140 20 0 DEADHO C(N[C@@H](C1CC1)[C@H]1CNCCO1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000423094103 405701314 /nfs/dbraw/zinc/70/13/14/405701314.db2.gz JIXUSDBGYJQCGB-QRVBRYPASA-N 1 3 321.509 2.140 20 0 DEADHO C([NH2+][C@@H](C1CC1)[C@H]1CNCCO1)[C@H]1CCCN1C1CCCCC1 ZINC000423094103 405701321 /nfs/dbraw/zinc/70/13/21/405701321.db2.gz JIXUSDBGYJQCGB-QRVBRYPASA-N 1 3 321.509 2.140 20 0 DEADHO c1ccc2c(c1)CC(CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C2 ZINC000422979351 405693645 /nfs/dbraw/zinc/69/36/45/405693645.db2.gz JKIOIKAZZFBAHQ-GUDVDZBRSA-N 1 3 300.446 2.148 20 0 DEADHO FC(F)COCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423065017 405696559 /nfs/dbraw/zinc/69/65/59/405696559.db2.gz ARUBKXMQOYFVMP-BBRMVZONSA-N 1 3 312.360 2.114 20 0 DEADHO C[NH2+]CCC(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000638828810 405696962 /nfs/dbraw/zinc/69/69/62/405696962.db2.gz GXQGPKGOZZHFPH-ZDUSSCGKSA-N 1 3 317.355 2.034 20 0 DEADHO CCO[C@H]1C[C@@H](N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423168044 405710492 /nfs/dbraw/zinc/71/04/92/405710492.db2.gz UCHGFDDBBUHLLV-CXHZTBPHSA-N 1 3 302.418 2.399 20 0 DEADHO [NH3+][C@@H]1C[C@H](N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c2ccccc21 ZINC000423154090 405706027 /nfs/dbraw/zinc/70/60/27/405706027.db2.gz HBZMFRGIOQMLMY-CHWQCYJSSA-N 1 3 321.424 2.412 20 0 DEADHO COc1cc(F)cc(C[C@H](C)[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)N)c1 ZINC000423159155 405706236 /nfs/dbraw/zinc/70/62/36/405706236.db2.gz FKCHCMNSKRKCEA-HJSHSUPBSA-N 1 3 310.413 2.107 20 0 DEADHO COc1cc(F)cc(C[C@H](C)N[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])c1 ZINC000423159155 405706237 /nfs/dbraw/zinc/70/62/37/405706237.db2.gz FKCHCMNSKRKCEA-HJSHSUPBSA-N 1 3 310.413 2.107 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCc2cccc3c2CC[NH2+]C3)c1 ZINC000638843232 405708082 /nfs/dbraw/zinc/70/80/82/405708082.db2.gz DTQSIEZXUNDDRS-UHFFFAOYSA-N 1 3 323.440 2.324 20 0 DEADHO CCOc1cccc2cc([C@H](C)NCCN3CC[NH2+]CC3)oc21 ZINC000423204868 405722371 /nfs/dbraw/zinc/72/23/71/405722371.db2.gz OWCBRRZXCZNCDU-AWEZNQCLSA-N 1 3 317.433 2.387 20 0 DEADHO CN(C(=O)CC1(C[NH3+])CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000423321572 405760879 /nfs/dbraw/zinc/76/08/79/405760879.db2.gz HVFOPALNLMSKSU-QGZVFWFLSA-N 1 3 315.461 2.238 20 0 DEADHO COc1ccccc1NC(=O)C[C@@H](C)N[C@@H](C[NH3+])CC(C)C ZINC000423260006 405740180 /nfs/dbraw/zinc/74/01/80/405740180.db2.gz GLGBBQFQEFNUFN-ZIAGYGMSSA-N 1 3 307.438 2.375 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)N[C@H](C[NH3+])CC(C)C ZINC000423260003 405740291 /nfs/dbraw/zinc/74/02/91/405740291.db2.gz GLGBBQFQEFNUFN-KBPBESRZSA-N 1 3 307.438 2.375 20 0 DEADHO C[C@H]1CCC[C@H](N2CCC([NH2+]C[C@H]3CC[C@@H](CO)O3)CC2)C1 ZINC000559872603 405758369 /nfs/dbraw/zinc/75/83/69/405758369.db2.gz ZXTZEIDJRCMFGG-OWLYRPNTSA-N 1 3 310.482 2.159 20 0 DEADHO CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCCN(C2CCCC2)CC1 ZINC000423364202 405777955 /nfs/dbraw/zinc/77/79/55/405777955.db2.gz JSWKOEBFICDACC-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CC1(C)CCCN[C@@H]1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000423364202 405777961 /nfs/dbraw/zinc/77/79/61/405777961.db2.gz JSWKOEBFICDACC-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CC1(C)CCCN[C@@H]1C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000423364202 405777968 /nfs/dbraw/zinc/77/79/68/405777968.db2.gz JSWKOEBFICDACC-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1ccc([C@H](CNC(=O)CC2(C[NH3+])CC2)N2CCCC2)cc1 ZINC000423368310 405779757 /nfs/dbraw/zinc/77/97/57/405779757.db2.gz ZLOWJZIBEVMIHL-KRWDZBQOSA-N 1 3 315.461 2.377 20 0 DEADHO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CNC[C@H]2c2ccccc2)[C@@H]1C ZINC000423499588 405828353 /nfs/dbraw/zinc/82/83/53/405828353.db2.gz CDWLPGYETWPYFM-NBZXXOOGSA-N 1 3 316.445 2.309 20 0 DEADHO C[NH2+]CCc1ccccc1C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000423405671 405792182 /nfs/dbraw/zinc/79/21/82/405792182.db2.gz ZYZRRJRQRYMDOR-IYBDPMFKSA-N 1 3 317.477 2.441 20 0 DEADHO O[C@H]1CCN(Cc2ccccc2C[NH2+]CCC2CCOCC2)C1 ZINC000638976796 405792915 /nfs/dbraw/zinc/79/29/15/405792915.db2.gz LUDYKTJNHPWADS-IBGZPJMESA-N 1 3 318.461 2.160 20 0 DEADHO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H](N)C3CCC3)cc21 ZINC000423434324 405805570 /nfs/dbraw/zinc/80/55/70/405805570.db2.gz XRNYMOUQFBRFNK-KRWDZBQOSA-N 1 3 314.433 2.269 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423438039 405807048 /nfs/dbraw/zinc/80/70/48/405807048.db2.gz UVYJIMGDAKCKQC-KBRIMQKVSA-N 1 3 315.461 2.312 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423437537 405807528 /nfs/dbraw/zinc/80/75/28/405807528.db2.gz UHXYPCMYEBNECF-XYPHTWIQSA-N 1 3 301.434 2.405 20 0 DEADHO CC[C@@H](N)C[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000423462102 405813390 /nfs/dbraw/zinc/81/33/90/405813390.db2.gz KHMNMORGZMMLRT-UKRRQHHQSA-N 1 3 302.422 2.387 20 0 DEADHO CC[C@H](N)C[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000423462101 405813734 /nfs/dbraw/zinc/81/37/34/405813734.db2.gz KHMNMORGZMMLRT-HIFRSBDPSA-N 1 3 302.422 2.387 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)C2)cc1 ZINC000639006774 405817557 /nfs/dbraw/zinc/81/75/57/405817557.db2.gz ZCADOMPRZBLDLE-JKSUJKDBSA-N 1 3 303.450 2.059 20 0 DEADHO Cc1c([C@H](C)N[C@H]2CC[C@@H](C[NH3+])C2)nnn1-c1ccc(F)cc1 ZINC000423490242 405825004 /nfs/dbraw/zinc/82/50/04/405825004.db2.gz HOFNLHPNORHYBU-LNSITVRQSA-N 1 3 317.412 2.493 20 0 DEADHO CC(C)[C@@H](C[NH3+])C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000433133850 405875410 /nfs/dbraw/zinc/87/54/10/405875410.db2.gz JEBFTVWWWXEDJI-QGZVFWFLSA-N 1 3 317.477 2.170 20 0 DEADHO NCc1cc(NC(=O)CC2(C[NH3+])CC2)cc(C(F)(F)F)c1 ZINC000423620541 405880764 /nfs/dbraw/zinc/88/07/64/405880764.db2.gz JRXDUKREDDBYDF-UHFFFAOYSA-N 1 3 301.312 2.232 20 0 DEADHO C[C@H](NCCc1nccn1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000560966670 405881625 /nfs/dbraw/zinc/88/16/25/405881625.db2.gz HDZOOKDWEHVWBN-WMZOPIPTSA-N 1 3 312.461 2.452 20 0 DEADHO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1oc2ccccc2c1CN(C)C ZINC000423637746 405888514 /nfs/dbraw/zinc/88/85/14/405888514.db2.gz CXWJXDNGXJKTRI-SMDDNHRTSA-N 1 3 301.390 2.056 20 0 DEADHO Cc1cccc(CN2CC[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC000636327544 405893971 /nfs/dbraw/zinc/89/39/71/405893971.db2.gz OGBTUJKUOAKADN-KRWDZBQOSA-N 1 3 315.461 2.027 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)N(C)C ZINC000633799324 405844101 /nfs/dbraw/zinc/84/41/01/405844101.db2.gz DKYOSWLUIPWZLX-CGTJXYLNSA-N 1 3 317.477 2.211 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)N(C)C ZINC000633799324 405844108 /nfs/dbraw/zinc/84/41/08/405844108.db2.gz DKYOSWLUIPWZLX-CGTJXYLNSA-N 1 3 317.477 2.211 20 0 DEADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459309278 405846378 /nfs/dbraw/zinc/84/63/78/405846378.db2.gz NDUOOXONIKKOLO-HOTGVXAUSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459309278 405846385 /nfs/dbraw/zinc/84/63/85/405846385.db2.gz NDUOOXONIKKOLO-HOTGVXAUSA-N 1 3 324.513 2.090 20 0 DEADHO [NH3+]C[C@H]1CCN(C(=O)[C@H]2CNCc3ccccc32)c2ccccc21 ZINC000639063069 405853704 /nfs/dbraw/zinc/85/37/04/405853704.db2.gz BFPZAGHRNWPFHP-KDOFPFPSSA-N 1 3 321.424 2.353 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000457474042 405858734 /nfs/dbraw/zinc/85/87/34/405858734.db2.gz YQPICYMFHGASCL-INIZCTEOSA-N 1 3 324.513 2.375 20 0 DEADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000457474042 405858742 /nfs/dbraw/zinc/85/87/42/405858742.db2.gz YQPICYMFHGASCL-INIZCTEOSA-N 1 3 324.513 2.375 20 0 DEADHO C[N@H+](CCNC(=O)Nc1cccc2c1CCNC2)C1CCCC1 ZINC000568845514 292371294 /nfs/dbraw/zinc/37/12/94/292371294.db2.gz DXXKDFWHTGOYTH-UHFFFAOYSA-N 1 3 316.449 2.328 20 0 DEADHO C[N@@H+](CCNC(=O)Nc1cccc2c1CCNC2)C1CCCC1 ZINC000568845514 292371295 /nfs/dbraw/zinc/37/12/95/292371295.db2.gz DXXKDFWHTGOYTH-UHFFFAOYSA-N 1 3 316.449 2.328 20 0 DEADHO COc1ccc(C[N@H+](C)CCCN(C)C)cc1Cn1cccn1 ZINC000639167501 405940162 /nfs/dbraw/zinc/94/01/62/405940162.db2.gz GXTRCKVSCGFTCK-UHFFFAOYSA-N 1 3 316.449 2.324 20 0 DEADHO COc1ccc(C[N@@H+](C)CCCN(C)C)cc1Cn1cccn1 ZINC000639167501 405940169 /nfs/dbraw/zinc/94/01/69/405940169.db2.gz GXTRCKVSCGFTCK-UHFFFAOYSA-N 1 3 316.449 2.324 20 0 DEADHO CCC[NH+]1CCC(NC(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000433555218 405958087 /nfs/dbraw/zinc/95/80/87/405958087.db2.gz NWTABTDVWLFOHA-QGZVFWFLSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@H](CC(=O)N(C)c1ccccc1)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000531984698 406030962 /nfs/dbraw/zinc/03/09/62/406030962.db2.gz QSQBHVYWOGQXPK-HZPDHXFCSA-N 1 3 303.450 2.359 20 0 DEADHO C[C@H](CC(=O)N(C)c1ccccc1)NCC[N@H+]1CC[C@@H](C)C1 ZINC000531984698 406030964 /nfs/dbraw/zinc/03/09/64/406030964.db2.gz QSQBHVYWOGQXPK-HZPDHXFCSA-N 1 3 303.450 2.359 20 0 DEADHO CC(C)N1CCC[C@@H](NC(=O)C2C[NH+](C3CCCCC3)C2)C1 ZINC000457753518 405985789 /nfs/dbraw/zinc/98/57/89/405985789.db2.gz UPSIGTNHYGOMOT-MRXNPFEDSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433915452 405998498 /nfs/dbraw/zinc/99/84/98/405998498.db2.gz PTSJXJIUCFNNAX-NVXWUHKLSA-N 1 3 322.497 2.177 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]C[C@H]2CCCN(C)C2)[C@@H](C)C1 ZINC000532506385 406081225 /nfs/dbraw/zinc/08/12/25/406081225.db2.gz UHYHFTWEQBMLJZ-KSZLIROESA-N 1 3 311.514 2.055 20 0 DEADHO CC(C)[C@H]1CN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)CCN1C ZINC000634301105 406090256 /nfs/dbraw/zinc/09/02/56/406090256.db2.gz WTJMSQRYMBYYDS-IAGOWNOFSA-N 1 3 301.434 2.020 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccsc1 ZINC000518891731 406163938 /nfs/dbraw/zinc/16/39/38/406163938.db2.gz BWTAMGAKBZBDOZ-UKRRQHHQSA-N 1 3 309.479 2.199 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccsc1 ZINC000518891731 406163945 /nfs/dbraw/zinc/16/39/45/406163945.db2.gz BWTAMGAKBZBDOZ-UKRRQHHQSA-N 1 3 309.479 2.199 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@H](c1cccs1)N1CCCC1 ZINC000567641087 406110738 /nfs/dbraw/zinc/11/07/38/406110738.db2.gz AEMWSTPUZQJCHK-YHUYYLMFSA-N 1 3 323.506 2.227 20 0 DEADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000567675014 406115981 /nfs/dbraw/zinc/11/59/81/406115981.db2.gz WNGIENOFRRJPAD-DJIMGWMZSA-N 1 3 303.450 2.265 20 0 DEADHO COc1cc(OC)c(CCN[C@@H]2CCC[C@H]([NH3+])C2)c(OC)c1 ZINC000519424878 406199556 /nfs/dbraw/zinc/19/95/56/406199556.db2.gz DUEKWNIPXPPMON-QWHCGFSZSA-N 1 3 308.422 2.114 20 0 DEADHO C(=C\c1ccncc1)\C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000487314778 406224028 /nfs/dbraw/zinc/22/40/28/406224028.db2.gz GVNLZMZJTFAOOV-YYZONTRBSA-N 1 3 301.434 2.185 20 0 DEADHO CC1(C)C[C@@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)CCO1 ZINC000634683074 406224203 /nfs/dbraw/zinc/22/42/03/406224203.db2.gz IYFFVQSMXSOCBG-ROUUACIJSA-N 1 3 318.461 2.300 20 0 DEADHO CC1(C)CNCC[C@@H]([NH2+]C2CCN(Cc3ccncc3)CC2)C1 ZINC000634732664 406252571 /nfs/dbraw/zinc/25/25/71/406252571.db2.gz LQPVBRHHLJBYNE-GOSISDBHSA-N 1 3 316.493 2.414 20 0 DEADHO Cc1nc(COc2ccc(CN[C@@H](C)C[C@@H](C)[NH3+])cc2)no1 ZINC000520406982 406290101 /nfs/dbraw/zinc/29/01/01/406290101.db2.gz YKDAGBSOQZWLMB-NEPJUHHUSA-N 1 3 304.394 2.172 20 0 DEADHO CCCC[N@H+](C)CCNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000488957840 406364347 /nfs/dbraw/zinc/36/43/47/406364347.db2.gz VPPWFOJOJPSCQT-BRWVUGGUSA-N 1 3 324.513 2.090 20 0 DEADHO CCCC[N@@H+](C)CCNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000488957840 406364353 /nfs/dbraw/zinc/36/43/53/406364353.db2.gz VPPWFOJOJPSCQT-BRWVUGGUSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000488910862 406360315 /nfs/dbraw/zinc/36/03/15/406360315.db2.gz LSDQLLLCAKPKBK-CPUCHLNUSA-N 1 3 321.440 2.417 20 0 DEADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000545305982 406312476 /nfs/dbraw/zinc/31/24/76/406312476.db2.gz HGWJFAVGXFANCR-QZTJIDSGSA-N 1 3 317.477 2.211 20 0 DEADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000545305982 406312482 /nfs/dbraw/zinc/31/24/82/406312482.db2.gz HGWJFAVGXFANCR-QZTJIDSGSA-N 1 3 317.477 2.211 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000522190655 406397030 /nfs/dbraw/zinc/39/70/30/406397030.db2.gz SOVIGVAGILCYMS-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000522190655 406397035 /nfs/dbraw/zinc/39/70/35/406397035.db2.gz SOVIGVAGILCYMS-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(S(C)(=O)=O)cc1 ZINC000635010678 406399015 /nfs/dbraw/zinc/39/90/15/406399015.db2.gz ATUMLGLJPDKNHJ-NTQSIJHJSA-N 1 3 322.474 2.066 20 0 DEADHO C[N@H+](CCC(=O)N1CC[C@@H](N2CCCC2)C1)C1CCCCC1 ZINC000547429825 406409588 /nfs/dbraw/zinc/40/95/88/406409588.db2.gz MRPCQAQLQZJVCQ-QGZVFWFLSA-N 1 3 307.482 2.338 20 0 DEADHO C[N@@H+](CCC(=O)N1CC[C@@H](N2CCCC2)C1)C1CCCCC1 ZINC000547429825 406409590 /nfs/dbraw/zinc/40/95/90/406409590.db2.gz MRPCQAQLQZJVCQ-QGZVFWFLSA-N 1 3 307.482 2.338 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)N1CCCC[C@H]1C ZINC000489789095 406431293 /nfs/dbraw/zinc/43/12/93/406431293.db2.gz IXUURHIGWJYCPP-NCOADZHNSA-N 1 3 324.513 2.421 20 0 DEADHO CC(C)[N@H+](C)CC1CCN([C@H](C)C(=O)N2CCCCC2)CC1 ZINC000524155920 406441580 /nfs/dbraw/zinc/44/15/80/406441580.db2.gz TZIRMPVFPHRIFJ-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN([C@H](C)C(=O)N2CCCCC2)CC1 ZINC000524155920 406441584 /nfs/dbraw/zinc/44/15/84/406441584.db2.gz TZIRMPVFPHRIFJ-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NCC[NH2+]C2CCCCCC2)CN1C1CC1 ZINC000571268556 406498386 /nfs/dbraw/zinc/49/83/86/406498386.db2.gz WTPZVPQMDXPWNU-GDBMZVCRSA-N 1 3 322.497 2.223 20 0 DEADHO CO[C@]1(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCOC1 ZINC000638021329 406527789 /nfs/dbraw/zinc/52/77/89/406527789.db2.gz CMVYXVYZOXARDY-ROUUACIJSA-N 1 3 310.482 2.380 20 0 DEADHO CCN[C@H](C)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000638081157 406560148 /nfs/dbraw/zinc/56/01/48/406560148.db2.gz VZKXBSKNKPRAIL-LLVKDONJSA-N 1 3 313.829 2.217 20 0 DEADHO CN1CCC[C@H](C[NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000526978876 406564557 /nfs/dbraw/zinc/56/45/57/406564557.db2.gz JTPQPJQVYCADPI-CQSZACIVSA-N 1 3 302.397 2.443 20 0 DEADHO Cc1cccc(CN(CCN(C)C)C(=O)C2(C[NH+](C)C)CC2)c1 ZINC000635497896 406564839 /nfs/dbraw/zinc/56/48/39/406564839.db2.gz PQNMQUYXPCWGFJ-UHFFFAOYSA-N 1 3 317.477 2.227 20 0 DEADHO CO[C@]1(CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CCOC1 ZINC000637979930 406507800 /nfs/dbraw/zinc/50/78/00/406507800.db2.gz VXEOKQDNYIOWOL-ROUUACIJSA-N 1 3 310.482 2.236 20 0 DEADHO CO[C@]1(C[N@@H+]2CCC[C@@H](CN3CCC(C)CC3)C2)CCOC1 ZINC000637979930 406507804 /nfs/dbraw/zinc/50/78/04/406507804.db2.gz VXEOKQDNYIOWOL-ROUUACIJSA-N 1 3 310.482 2.236 20 0 DEADHO CO[C@]1(C[N@H+]2CCC[C@@H](CN3CCC(C)CC3)C2)CCOC1 ZINC000637979930 406507807 /nfs/dbraw/zinc/50/78/07/406507807.db2.gz VXEOKQDNYIOWOL-ROUUACIJSA-N 1 3 310.482 2.236 20 0 DEADHO CC[NH2+]CCCNC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000572136728 406612075 /nfs/dbraw/zinc/61/20/75/406612075.db2.gz HRXJDTZMZLDJEK-UHFFFAOYSA-N 1 3 320.481 2.068 20 0 DEADHO CC(C)[NH2+]CCC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000572155993 406614507 /nfs/dbraw/zinc/61/45/07/406614507.db2.gz ZXTZXQNIDGABFH-ZWKOTPCHSA-N 1 3 315.461 2.107 20 0 DEADHO CC(C)(CNC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)N1CCCCC1 ZINC000635528492 406576616 /nfs/dbraw/zinc/57/66/16/406576616.db2.gz UDMDZRGDTKPEKF-OAHLLOKOSA-N 1 3 324.513 2.328 20 0 DEADHO [NH3+][C@H]1C[C@@H](C(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000571923606 406582930 /nfs/dbraw/zinc/58/29/30/406582930.db2.gz LZMCRQZNWWTMOG-CALCHBBNSA-N 1 3 301.434 2.026 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)/C=C/C[NH+](C)C)C1 ZINC000491848358 406746583 /nfs/dbraw/zinc/74/65/83/406746583.db2.gz NINOLQVPVJFOGL-WNEOQSQQSA-N 1 3 301.434 2.056 20 0 DEADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000646106377 406782671 /nfs/dbraw/zinc/78/26/71/406782671.db2.gz WMXYXNCABVJGGE-ZWKOTPCHSA-N 1 3 315.461 2.252 20 0 DEADHO O=C(N[C@H]1CCC[NH2+]CC1)N1CCN(CC2CCCCC2)CC1 ZINC000641052378 406805917 /nfs/dbraw/zinc/80/59/17/406805917.db2.gz MHMRPSPSYINKFE-KRWDZBQOSA-N 1 3 322.497 2.036 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)CC[C@H]([NH3+])c2ccccc2)CN1C1CC1 ZINC000646530049 406877985 /nfs/dbraw/zinc/87/79/85/406877985.db2.gz NJIIXZIFXVAHAL-KMFMINBZSA-N 1 3 301.434 2.208 20 0 DEADHO COc1ccccc1[C@@H](N)CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000646605138 406885299 /nfs/dbraw/zinc/88/52/99/406885299.db2.gz ZGVKCBKLHACQLA-HOCLYGCPSA-N 1 3 319.449 2.076 20 0 DEADHO COc1ccccc1[C@@H](N)CNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000646605138 406885302 /nfs/dbraw/zinc/88/53/02/406885302.db2.gz ZGVKCBKLHACQLA-HOCLYGCPSA-N 1 3 319.449 2.076 20 0 DEADHO CC[NH2+]CCCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000646625085 406886982 /nfs/dbraw/zinc/88/69/82/406886982.db2.gz NDFWZXUMUVWBTG-UHFFFAOYSA-N 1 3 303.406 2.224 20 0 DEADHO CC[C@@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000577515391 406840913 /nfs/dbraw/zinc/84/09/13/406840913.db2.gz UGZRAZKKKNVTNR-KZNAEPCWSA-N 1 3 315.461 2.237 20 0 DEADHO CC[C@@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000577515391 406840916 /nfs/dbraw/zinc/84/09/16/406840916.db2.gz UGZRAZKKKNVTNR-KZNAEPCWSA-N 1 3 315.461 2.237 20 0 DEADHO CN1CCC(N2CC[C@H]([NH2+]C3CCC(F)(F)CC3)C2)CC1 ZINC000647182438 406966683 /nfs/dbraw/zinc/96/66/83/406966683.db2.gz BZUXTRTWLFAPNC-AWEZNQCLSA-N 1 3 301.425 2.322 20 0 DEADHO CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000646918453 406925416 /nfs/dbraw/zinc/92/54/16/406925416.db2.gz VVIITQZXHLMHBL-ROUUACIJSA-N 1 3 313.445 2.059 20 0 DEADHO CC(C)OC[C@@H](O)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000642713089 406933637 /nfs/dbraw/zinc/93/36/37/406933637.db2.gz IQLPOJXONBNCLI-SFHVURJKSA-N 1 3 312.498 2.360 20 0 DEADHO [NH3+]CCOCc1nc(-c2cccc(CN3CCCCC3)c2)no1 ZINC000647120608 406954204 /nfs/dbraw/zinc/95/42/04/406954204.db2.gz IIMHWWNAAHWRER-UHFFFAOYSA-N 1 3 316.405 2.198 20 0 DEADHO CC(=O)N1CC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)c2ccccc2C1 ZINC000643524043 407010913 /nfs/dbraw/zinc/01/09/13/407010913.db2.gz BQSKGRLNGSMYQP-NUJGCVRESA-N 1 3 301.434 2.339 20 0 DEADHO C[C@@H]1C[NH2+]C[C@@H](NC2CCN(C(=O)c3ccccc3F)CC2)C1 ZINC000647549417 407018496 /nfs/dbraw/zinc/01/84/96/407018496.db2.gz YKVYUMPTPIKRDA-ZFWWWQNUSA-N 1 3 319.424 2.018 20 0 DEADHO CC[C@@H]([NH2+][C@H](C)C1CCN(C)CC1)C(=O)NCc1cccs1 ZINC000647333242 406987807 /nfs/dbraw/zinc/98/78/07/406987807.db2.gz OMPPWWVWIXEZOT-CZUORRHYSA-N 1 3 323.506 2.463 20 0 DEADHO C[C@@H]1CCNC[C@@H]1[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000643457662 407002000 /nfs/dbraw/zinc/00/20/00/407002000.db2.gz VHHDUBPEPANUOT-NEWSRXKRSA-N 1 3 301.478 2.486 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccccc1CN1CCCC1=O ZINC000643460563 407003184 /nfs/dbraw/zinc/00/31/84/407003184.db2.gz JGEWBPDIEWUXLA-YJBOKZPZSA-N 1 3 315.461 2.416 20 0 DEADHO C[C@H]([NH2+]CC1(N)CCCCCC1)c1cccc(-n2cnnn2)c1 ZINC000643498576 407007828 /nfs/dbraw/zinc/00/78/28/407007828.db2.gz DRWNETFUOXGCAQ-AWEZNQCLSA-N 1 3 314.437 2.365 20 0 DEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCCCN1 ZINC000643501623 407008282 /nfs/dbraw/zinc/00/82/82/407008282.db2.gz MJSRRLYIHMYLML-SOLBZPMBSA-N 1 3 302.466 2.024 20 0 DEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000643501623 407008286 /nfs/dbraw/zinc/00/82/86/407008286.db2.gz MJSRRLYIHMYLML-SOLBZPMBSA-N 1 3 302.466 2.024 20 0 DEADHO O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)NC1CCCCC1 ZINC000647975311 407091307 /nfs/dbraw/zinc/09/13/07/407091307.db2.gz VRLICMIEHAIQQM-HOTGVXAUSA-N 1 3 307.482 2.147 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC[C@@H]1CSc2ccccc2O1 ZINC000647800765 407053610 /nfs/dbraw/zinc/05/36/10/407053610.db2.gz KGVORFSIWHRCCK-XGUBFFRZSA-N 1 3 322.474 2.272 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC[C@@H]1CSc2ccccc2O1 ZINC000647800765 407053613 /nfs/dbraw/zinc/05/36/13/407053613.db2.gz KGVORFSIWHRCCK-XGUBFFRZSA-N 1 3 322.474 2.272 20 0 DEADHO c1cc(OCCCN(C2CC2)C2CC[NH2+]CC2)cc2c1OCO2 ZINC000647814797 407056372 /nfs/dbraw/zinc/05/63/72/407056372.db2.gz GQBMSNDKDDVZGL-UHFFFAOYSA-N 1 3 318.417 2.401 20 0 DEADHO c1cc(OCCC[N@H+](C2CC2)C2CCNCC2)cc2c1OCO2 ZINC000647814797 407056375 /nfs/dbraw/zinc/05/63/75/407056375.db2.gz GQBMSNDKDDVZGL-UHFFFAOYSA-N 1 3 318.417 2.401 20 0 DEADHO c1cc(OCCC[N@@H+](C2CC2)C2CCNCC2)cc2c1OCO2 ZINC000647814797 407056376 /nfs/dbraw/zinc/05/63/76/407056376.db2.gz GQBMSNDKDDVZGL-UHFFFAOYSA-N 1 3 318.417 2.401 20 0 DEADHO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000647831897 407058408 /nfs/dbraw/zinc/05/84/08/407058408.db2.gz RBJZQHUOGNPHND-CRAIPNDOSA-N 1 3 315.461 2.447 20 0 DEADHO CCCN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1CCN(C)C1 ZINC000645101123 407231664 /nfs/dbraw/zinc/23/16/64/407231664.db2.gz WSPGBRGLEFOGCU-HNNXBMFYSA-N 1 3 324.513 2.421 20 0 DEADHO C[C@@H](C(=O)N1CCN(c2cc[nH+]cc2)CC1)[C@H](N)c1ccccc1 ZINC000645221453 407248941 /nfs/dbraw/zinc/24/89/41/407248941.db2.gz NIQQOJMLZUQZDL-QAPCUYQASA-N 1 3 324.428 2.066 20 0 DEADHO C[C@H](Cn1cccn1)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000569684255 292434184 /nfs/dbraw/zinc/43/41/84/292434184.db2.gz MDVKNZYDICZCRH-QGPMSJSTSA-N 1 3 312.417 2.117 20 0 DEADHO CC[C@@H](NCC1(N2CCCCC2)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422951753 286903834 /nfs/dbraw/zinc/90/38/34/286903834.db2.gz AAOPLGAJMMTIFO-SJORKVTESA-N 1 3 309.498 2.142 20 0 DEADHO CN1C[C@@H]2CC[C@@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001422973894 1172989651 /nfs/dbraw/zinc/98/96/51/1172989651.db2.gz PYLBNQSIMQEXPV-BFHYXJOUSA-N 1 3 311.470 2.220 20 0 DEADHO C[C@@H](NC1CCN([C@H](C)c2ccncc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422971486 287013769 /nfs/dbraw/zinc/01/37/69/287013769.db2.gz YKUMRSHLQQWBPJ-RKVPGOIHSA-N 1 3 302.466 2.337 20 0 DEADHO N[C@H]1CCC[C@H]([NH2+]CCCC(=O)N2Cc3ccccc3C2)C1 ZINC000571297478 292540643 /nfs/dbraw/zinc/54/06/43/292540643.db2.gz NGVSOTWYDSNRSF-IRXDYDNUSA-N 1 3 301.434 2.169 20 0 DEADHO CC(C)[C@H](CNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)[NH+]1CCCC1 ZINC000129001692 196010575 /nfs/dbraw/zinc/01/05/75/196010575.db2.gz WCZKRRJOOOPDRT-ZOBUZTSGSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@@]1(O)C[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000417391892 229018653 /nfs/dbraw/zinc/01/86/53/229018653.db2.gz AWPKWXZOMGJDPN-LTFXXXRZSA-N 1 3 300.446 2.400 20 0 DEADHO C[C@@]1(O)C[C@H](N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000417391892 229018654 /nfs/dbraw/zinc/01/86/54/229018654.db2.gz AWPKWXZOMGJDPN-LTFXXXRZSA-N 1 3 300.446 2.400 20 0 DEADHO C[C@@]1(O)C[C@H](N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000417391892 229018656 /nfs/dbraw/zinc/01/86/56/229018656.db2.gz AWPKWXZOMGJDPN-LTFXXXRZSA-N 1 3 300.446 2.400 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)NC(C)(C)C[NH3+])CCN1Cc1ccccc1 ZINC000417828622 229116714 /nfs/dbraw/zinc/11/67/14/229116714.db2.gz FQVRMGWLDLRNMK-HOCLYGCPSA-N 1 3 318.465 2.076 20 0 DEADHO [NH3+]CCC[C@H](NC(=O)N[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000417685282 229068782 /nfs/dbraw/zinc/06/87/82/229068782.db2.gz ORASLURLVHCQHL-RDJZCZTQSA-N 1 3 316.449 2.003 20 0 DEADHO N[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000417698916 229071240 /nfs/dbraw/zinc/07/12/40/229071240.db2.gz FESICSPXUKFZQZ-NVXWUHKLSA-N 1 3 316.449 2.003 20 0 DEADHO N[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000417698916 229071244 /nfs/dbraw/zinc/07/12/44/229071244.db2.gz FESICSPXUKFZQZ-NVXWUHKLSA-N 1 3 316.449 2.003 20 0 DEADHO C[C@H](NC(=O)N1CCN(CCC(C)(C)C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000418343288 229317559 /nfs/dbraw/zinc/31/75/59/229317559.db2.gz NSMUATQIOLKRRQ-JKSUJKDBSA-N 1 3 324.513 2.138 20 0 DEADHO C[NH+](C)CCCC(C)(C)NC(=O)NC[C@H](N)c1ccccc1 ZINC000418446289 229352753 /nfs/dbraw/zinc/35/27/53/229352753.db2.gz HZMJKBGJFSIJPM-HNNXBMFYSA-N 1 3 306.454 2.106 20 0 DEADHO C[C@@H]1C[C@H](C)N(CCc2nc3ccccc3n2C)C[C@H]1C[NH3+] ZINC000422625247 230156443 /nfs/dbraw/zinc/15/64/43/230156443.db2.gz BAWIDDMCIKUGKN-QLFBSQMISA-N 1 3 300.450 2.421 20 0 DEADHO C[C@@H]1C[C@H](C)[N@H+](CCc2nc3ccccc3n2C)C[C@H]1CN ZINC000422625247 230156448 /nfs/dbraw/zinc/15/64/48/230156448.db2.gz BAWIDDMCIKUGKN-QLFBSQMISA-N 1 3 300.450 2.421 20 0 DEADHO C[C@@H]1C[C@H](C)[N@@H+](CCc2nc3ccccc3n2C)C[C@H]1CN ZINC000422625247 230156451 /nfs/dbraw/zinc/15/64/51/230156451.db2.gz BAWIDDMCIKUGKN-QLFBSQMISA-N 1 3 300.450 2.421 20 0 DEADHO O=C(CCN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)N1CCCCC1 ZINC000422698509 230167220 /nfs/dbraw/zinc/16/72/20/230167220.db2.gz ZPDONRUHWCKWTD-QZTJIDSGSA-N 1 3 315.461 2.472 20 0 DEADHO CN(C)[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422750236 230187527 /nfs/dbraw/zinc/18/75/27/230187527.db2.gz CMHDIHABXVSYDA-INDMIFKZSA-N 1 3 317.477 2.036 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(OC(F)F)cc1 ZINC000422758920 230191602 /nfs/dbraw/zinc/19/16/02/230191602.db2.gz JQVAYMPGSDCKHC-LEWSCRJBSA-N 1 3 300.349 2.130 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000422768825 230199411 /nfs/dbraw/zinc/19/94/11/230199411.db2.gz UZKNYZHNJJHESG-DHXZDTOLSA-N 1 3 321.440 2.136 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000422768825 230199416 /nfs/dbraw/zinc/19/94/16/230199416.db2.gz UZKNYZHNJJHESG-DHXZDTOLSA-N 1 3 321.440 2.136 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000422784641 230206989 /nfs/dbraw/zinc/20/69/89/230206989.db2.gz IZDYLELTLNCERF-GUYCJALGSA-N 1 3 302.397 2.271 20 0 DEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422784641 230206992 /nfs/dbraw/zinc/20/69/92/230206992.db2.gz IZDYLELTLNCERF-GUYCJALGSA-N 1 3 302.397 2.271 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H](c1ccccc1)N1CCOCC1 ZINC000422811248 230221347 /nfs/dbraw/zinc/22/13/47/230221347.db2.gz VQQXZPDIULBOMX-IPMKNSEASA-N 1 3 317.477 2.167 20 0 DEADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](c1ccccc1)N1CCOCC1 ZINC000422811248 230221357 /nfs/dbraw/zinc/22/13/57/230221357.db2.gz VQQXZPDIULBOMX-IPMKNSEASA-N 1 3 317.477 2.167 20 0 DEADHO C[C@H](C[C@@H]1COCCN1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000422816552 230224430 /nfs/dbraw/zinc/22/44/30/230224430.db2.gz ARWRHWVIHFEVJP-NVXWUHKLSA-N 1 3 309.498 2.140 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000422891510 230262615 /nfs/dbraw/zinc/26/26/15/230262615.db2.gz VMYMJWVVXFFLNI-HYVNUMGLSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCc1ccc2c(c1)OCCO2 ZINC000422930056 230282575 /nfs/dbraw/zinc/28/25/75/230282575.db2.gz RYWARKXQQBPXQF-GOEBONIOSA-N 1 3 304.434 2.368 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1cccc(OC(F)F)c1 ZINC000422950387 230291848 /nfs/dbraw/zinc/29/18/48/230291848.db2.gz XWBQZRWRXAOQTM-ZLKJLUDKSA-N 1 3 300.349 2.130 20 0 DEADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000422960513 230296083 /nfs/dbraw/zinc/29/60/83/230296083.db2.gz WPJSEQDCAGBDQQ-MAUKXSAKSA-N 1 3 315.461 2.287 20 0 DEADHO COc1cc([C@H](C)[NH2+][C@H]2CCCCC[C@H]2N)ccc1OCCO ZINC000422970881 230301734 /nfs/dbraw/zinc/30/17/34/230301734.db2.gz HIHBHCIRGVUVPV-IMJJTQAJSA-N 1 3 322.449 2.377 20 0 DEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000423047536 230329797 /nfs/dbraw/zinc/32/97/97/230329797.db2.gz GNPMAUYBKIKZHB-STQMWFEESA-N 1 3 317.355 2.282 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCc1ccc(OCC(F)(F)F)nc1 ZINC000423047536 230329802 /nfs/dbraw/zinc/32/98/02/230329802.db2.gz GNPMAUYBKIKZHB-STQMWFEESA-N 1 3 317.355 2.282 20 0 DEADHO N[C@@H]1C[C@H]([NH2+][C@@H](CO)Cc2ccc(F)cc2)c2ccccc21 ZINC000423068633 230336495 /nfs/dbraw/zinc/33/64/95/230336495.db2.gz CJSYTNFZCFAVOR-OLMNPRSZSA-N 1 3 300.377 2.464 20 0 DEADHO Cc1cccc(OCCC[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)N)c1C ZINC000423088520 230344504 /nfs/dbraw/zinc/34/45/04/230344504.db2.gz QJUVFNVLTOUHRV-IXDOHACOSA-N 1 3 306.450 2.414 20 0 DEADHO Cc1cccc(OCCCN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])c1C ZINC000423088520 230344508 /nfs/dbraw/zinc/34/45/08/230344508.db2.gz QJUVFNVLTOUHRV-IXDOHACOSA-N 1 3 306.450 2.414 20 0 DEADHO Cc1cccnc1C(C)(C)CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423135172 230360405 /nfs/dbraw/zinc/36/04/05/230360405.db2.gz FHSPIIYBRCEZCD-IXDOHACOSA-N 1 3 317.477 2.414 20 0 DEADHO CCCN(C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)[C@H]1CCN(C)C1 ZINC000637470211 424853177 /nfs/dbraw/zinc/85/31/77/424853177.db2.gz KGBJUIZXGNEGGK-IRXDYDNUSA-N 1 3 322.497 2.129 20 0 DEADHO CCCN(C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)[C@H]1CCN(C)C1 ZINC000637470211 424853180 /nfs/dbraw/zinc/85/31/80/424853180.db2.gz KGBJUIZXGNEGGK-IRXDYDNUSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000380945332 424908473 /nfs/dbraw/zinc/90/84/73/424908473.db2.gz OMMWOPLVTDMCOH-JQHSSLGASA-N 1 3 315.461 2.013 20 0 DEADHO Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@@H](C)CN1CCCC1 ZINC000390003877 424916945 /nfs/dbraw/zinc/91/69/45/424916945.db2.gz KXMKEEOJLJCYBU-CRAIPNDOSA-N 1 3 320.477 2.365 20 0 DEADHO C[C@H]1CC2(CN1Cc1nc(N)c3ccccc3n1)CC[NH2+]CC2 ZINC000333369939 424921312 /nfs/dbraw/zinc/92/13/12/424921312.db2.gz FJLSQYGTHOVXSR-ZDUSSCGKSA-N 1 3 311.433 2.176 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)CC[N@@H+]1C ZINC000648905836 424925994 /nfs/dbraw/zinc/92/59/94/424925994.db2.gz SCFDDOKKSUKPFH-CYGHRXIMSA-N 1 3 315.461 2.106 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)CC[N@H+]1C ZINC000648905836 424925998 /nfs/dbraw/zinc/92/59/98/424925998.db2.gz SCFDDOKKSUKPFH-CYGHRXIMSA-N 1 3 315.461 2.106 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000405540924 424931533 /nfs/dbraw/zinc/93/15/33/424931533.db2.gz RXPUGPDAXKCHFX-UONOGXRCSA-N 1 3 305.422 2.213 20 0 DEADHO CC[C@H](NCc1ccc(OCC[NH+](C)C)cc1)[C@@H](O)C(F)F ZINC000648694023 424894494 /nfs/dbraw/zinc/89/44/94/424894494.db2.gz RLWOCMQNYQTVKJ-LSDHHAIUSA-N 1 3 316.392 2.121 20 0 DEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCNc1ccc(C(F)(F)F)cn1 ZINC000422829751 424987362 /nfs/dbraw/zinc/98/73/62/424987362.db2.gz HWKAAZZRYZCNRY-AAEUAGOBSA-N 1 3 316.371 2.619 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H]1CN1CCN(c2ccncc2)CC1 ZINC000649351904 424999219 /nfs/dbraw/zinc/99/92/19/424999219.db2.gz OHEYDSPSIZTOTA-SFHVURJKSA-N 1 3 302.466 2.467 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H]1CN1CCN(c2ccncc2)CC1 ZINC000649351904 424999220 /nfs/dbraw/zinc/99/92/20/424999220.db2.gz OHEYDSPSIZTOTA-SFHVURJKSA-N 1 3 302.466 2.467 20 0 DEADHO CCOc1cccc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)n1 ZINC000650707685 425038997 /nfs/dbraw/zinc/03/89/97/425038997.db2.gz KUOVAKOBDVIMOQ-UXLLHSPISA-N 1 3 319.449 2.199 20 0 DEADHO CCN1CC[C@H]2OCCN(C[C@H]3CCCC[N@@H+]3C(C)C)[C@H]2C1 ZINC000649649836 425057320 /nfs/dbraw/zinc/05/73/20/425057320.db2.gz CZWRDQPWDLEHAC-FGTMMUONSA-N 1 3 309.498 2.044 20 0 DEADHO CCN1CC[C@H]2OCCN(C[C@H]3CCCC[N@H+]3C(C)C)[C@H]2C1 ZINC000649649836 425057321 /nfs/dbraw/zinc/05/73/21/425057321.db2.gz CZWRDQPWDLEHAC-FGTMMUONSA-N 1 3 309.498 2.044 20 0 DEADHO COC[C@H]1C[C@@H](O)CN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000649764748 425077647 /nfs/dbraw/zinc/07/76/47/425077647.db2.gz NXEXOTPXGSIJMK-RTBURBONSA-N 1 3 318.461 2.254 20 0 DEADHO Oc1ccc(N2CCN(CCCC3CC[NH2+]CC3)CC2)cc1 ZINC000649411131 425014233 /nfs/dbraw/zinc/01/42/33/425014233.db2.gz VECCIZGVCKZGKM-UHFFFAOYSA-N 1 3 303.450 2.294 20 0 DEADHO CN1CCN(CC[C@H]2CCC[N@@H+]2C)[C@H](Cc2ccccc2)C1 ZINC000649828702 425088023 /nfs/dbraw/zinc/08/80/23/425088023.db2.gz PZJZOJSLDXGVDY-RTBURBONSA-N 1 3 301.478 2.329 20 0 DEADHO CN1CCN(CC[C@H]2CCC[N@H+]2C)[C@H](Cc2ccccc2)C1 ZINC000649828702 425088025 /nfs/dbraw/zinc/08/80/25/425088025.db2.gz PZJZOJSLDXGVDY-RTBURBONSA-N 1 3 301.478 2.329 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(C(=O)NC2CC2)cc1 ZINC000666743660 425171910 /nfs/dbraw/zinc/17/19/10/425171910.db2.gz LOFOOQXNLZEQIV-RDJZCZTQSA-N 1 3 301.434 2.186 20 0 DEADHO COc1cccc(NC(=O)C[C@@H](C)[NH2+]CC2(N)CCCC2)c1 ZINC000656789691 425191678 /nfs/dbraw/zinc/19/16/78/425191678.db2.gz VRQZIGUBILUHSL-CYBMUJFWSA-N 1 3 305.422 2.273 20 0 DEADHO CCN(C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCN(CC)C1 ZINC000663629250 425202340 /nfs/dbraw/zinc/20/23/40/425202340.db2.gz RAYLBMOKXMJQKW-ZACQAIPSSA-N 1 3 324.513 2.233 20 0 DEADHO CCN(C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1)[C@H]1CCN(CC)C1 ZINC000663629250 425202346 /nfs/dbraw/zinc/20/23/46/425202346.db2.gz RAYLBMOKXMJQKW-ZACQAIPSSA-N 1 3 324.513 2.233 20 0 DEADHO CCN(C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1)[C@H]1CCN(CC)C1 ZINC000663629247 425202393 /nfs/dbraw/zinc/20/23/93/425202393.db2.gz RAYLBMOKXMJQKW-BBWFWOEESA-N 1 3 324.513 2.233 20 0 DEADHO CCN(C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1)[C@H]1CCN(CC)C1 ZINC000663629247 425202398 /nfs/dbraw/zinc/20/23/98/425202398.db2.gz RAYLBMOKXMJQKW-BBWFWOEESA-N 1 3 324.513 2.233 20 0 DEADHO CC[C@]1(C)CCC[C@@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000651830286 425149057 /nfs/dbraw/zinc/14/90/57/425149057.db2.gz JVJITSQTNRFLMZ-ZWKOTPCHSA-N 1 3 323.525 2.341 20 0 DEADHO OC[C@]1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCc2ccccc21 ZINC000651884759 425150727 /nfs/dbraw/zinc/15/07/27/425150727.db2.gz PGIIOPFRQUXNEU-ZIFCJYIRSA-N 1 3 300.446 2.079 20 0 DEADHO OC[C@]1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCc2ccccc21 ZINC000651884759 425150728 /nfs/dbraw/zinc/15/07/28/425150728.db2.gz PGIIOPFRQUXNEU-ZIFCJYIRSA-N 1 3 300.446 2.079 20 0 DEADHO CCN1C[C@H](C[NH2+]C2CCN([C@H]3CCCC[C@H]3C)CC2)CC1=O ZINC000652015770 425162321 /nfs/dbraw/zinc/16/23/21/425162321.db2.gz LJSGBZCVEKBBBP-RYRKJORJSA-N 1 3 321.509 2.488 20 0 DEADHO CCN1C[C@H](CNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC1=O ZINC000652015770 425162325 /nfs/dbraw/zinc/16/23/25/425162325.db2.gz LJSGBZCVEKBBBP-RYRKJORJSA-N 1 3 321.509 2.488 20 0 DEADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000660842189 425252849 /nfs/dbraw/zinc/25/28/49/425252849.db2.gz VAOCHVKPOBZICS-DLBZAZTESA-N 1 3 324.513 2.138 20 0 DEADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000660842189 425252854 /nfs/dbraw/zinc/25/28/54/425252854.db2.gz VAOCHVKPOBZICS-DLBZAZTESA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)N1CCC(C)CC1 ZINC000660846863 425254951 /nfs/dbraw/zinc/25/49/51/425254951.db2.gz KDMVDWADSLOJDM-JKSUJKDBSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)N1CCC(C)CC1 ZINC000660846863 425254956 /nfs/dbraw/zinc/25/49/56/425254956.db2.gz KDMVDWADSLOJDM-JKSUJKDBSA-N 1 3 324.513 2.279 20 0 DEADHO CN1CCC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000660846791 425255461 /nfs/dbraw/zinc/25/54/61/425255461.db2.gz IRMBWPOAPIITTM-HZPDHXFCSA-N 1 3 322.497 2.034 20 0 DEADHO CN1CCC[C@H](CNC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000660846791 425255462 /nfs/dbraw/zinc/25/54/62/425255462.db2.gz IRMBWPOAPIITTM-HZPDHXFCSA-N 1 3 322.497 2.034 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000663963139 425275711 /nfs/dbraw/zinc/27/57/11/425275711.db2.gz RHIVWUAJTWRBHO-MRXNPFEDSA-N 1 3 312.502 2.234 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000661095492 425322930 /nfs/dbraw/zinc/32/29/30/425322930.db2.gz LJCOXZIASMNSMS-CABCVRRESA-N 1 3 324.513 2.279 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661095492 425322933 /nfs/dbraw/zinc/32/29/33/425322933.db2.gz LJCOXZIASMNSMS-CABCVRRESA-N 1 3 324.513 2.279 20 0 DEADHO CC[NH+](CC)CCCNC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000654347153 425331398 /nfs/dbraw/zinc/33/13/98/425331398.db2.gz UCLZIXDKRMDLHI-UHFFFAOYSA-N 1 3 312.502 2.234 20 0 DEADHO c1cc(O[C@H]2CCOC2)ccc1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000657306975 425297975 /nfs/dbraw/zinc/29/79/75/425297975.db2.gz FJJLVGBXRKZXKF-LPHOPBHVSA-N 1 3 316.445 2.428 20 0 DEADHO CC[NH+]1CCC(CNCc2c(C(F)(F)F)cnn2C)CC1 ZINC000657347264 425313020 /nfs/dbraw/zinc/31/30/20/425313020.db2.gz PPWBTWTWLAZTJU-UHFFFAOYSA-N 1 3 304.360 2.260 20 0 DEADHO COc1ccccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664315621 425358466 /nfs/dbraw/zinc/35/84/66/425358466.db2.gz VCDAKOKERJNXEL-AWEZNQCLSA-N 1 3 322.453 2.089 20 0 DEADHO COc1ccccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664315621 425358470 /nfs/dbraw/zinc/35/84/70/425358470.db2.gz VCDAKOKERJNXEL-AWEZNQCLSA-N 1 3 322.453 2.089 20 0 DEADHO CO[C@H](CNC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCOC1 ZINC000657540956 425360562 /nfs/dbraw/zinc/36/05/62/425360562.db2.gz JSXUVHYNBAYROP-MAUKXSAKSA-N 1 3 310.482 2.425 20 0 DEADHO CO[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1CCOC1 ZINC000657540956 425360565 /nfs/dbraw/zinc/36/05/65/425360565.db2.gz JSXUVHYNBAYROP-MAUKXSAKSA-N 1 3 310.482 2.425 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000653049191 425388903 /nfs/dbraw/zinc/38/89/03/425388903.db2.gz YUQCHMHGMVAIDE-IAGOWNOFSA-N 1 3 303.450 2.316 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000653106167 425405367 /nfs/dbraw/zinc/40/53/67/425405367.db2.gz WGTUBJIAJLMOEY-ROUUACIJSA-N 1 3 317.477 2.358 20 0 DEADHO C[C@H](CCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)[NH+](C)C ZINC000664541690 425407743 /nfs/dbraw/zinc/40/77/43/425407743.db2.gz RPAGFXJSPRUGPF-PVAVHDDUSA-N 1 3 318.465 2.071 20 0 DEADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[NH2+]CC1 ZINC000653111740 425407924 /nfs/dbraw/zinc/40/79/24/425407924.db2.gz YVSSHKZUFXOMEY-ROUUACIJSA-N 1 3 315.461 2.157 20 0 DEADHO NC[C@H](NC(=O)[C@@H]1CCC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000653135595 425414067 /nfs/dbraw/zinc/41/40/67/425414067.db2.gz JKDKBYGOPQPYLT-QAPCUYQASA-N 1 3 311.429 2.346 20 0 DEADHO COc1ccc(CN[C@@H](C)CN(C)CCC[NH+](C)C)cc1F ZINC000657573649 425367825 /nfs/dbraw/zinc/36/78/25/425367825.db2.gz NKQYANBHOZVGIB-AWEZNQCLSA-N 1 3 311.445 2.196 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654562865 425382498 /nfs/dbraw/zinc/38/24/98/425382498.db2.gz QPWPAXUDACFFLM-ULQDDVLXSA-N 1 3 322.497 2.177 20 0 DEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654562865 425382500 /nfs/dbraw/zinc/38/25/00/425382500.db2.gz QPWPAXUDACFFLM-ULQDDVLXSA-N 1 3 322.497 2.177 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000653176022 425425942 /nfs/dbraw/zinc/42/59/42/425425942.db2.gz IAPHXJQTRQSFLG-RDJZCZTQSA-N 1 3 305.466 2.417 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000653176022 425425947 /nfs/dbraw/zinc/42/59/47/425425947.db2.gz IAPHXJQTRQSFLG-RDJZCZTQSA-N 1 3 305.466 2.417 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000654738774 425431363 /nfs/dbraw/zinc/43/13/63/425431363.db2.gz QYIWGTQRSKYWCB-GVDBMIGSSA-N 1 3 322.497 2.127 20 0 DEADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000654738774 425431366 /nfs/dbraw/zinc/43/13/66/425431366.db2.gz QYIWGTQRSKYWCB-GVDBMIGSSA-N 1 3 322.497 2.127 20 0 DEADHO c1cc2n(n1)CCC[C@H]2NCC1CC[NH+](C2CCOCC2)CC1 ZINC000658071783 425433818 /nfs/dbraw/zinc/43/38/18/425433818.db2.gz ZFEGHYWXHWRTEF-QGZVFWFLSA-N 1 3 318.465 2.199 20 0 DEADHO C[C@@H](NCC1CC[NH+](C2CCOCC2)CC1)c1ccncn1 ZINC000658071103 425434348 /nfs/dbraw/zinc/43/43/48/425434348.db2.gz UKFDOKRGEZHFPW-CQSZACIVSA-N 1 3 304.438 2.018 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)NCCC1(C[NH3+])CC1 ZINC000653221084 425437040 /nfs/dbraw/zinc/43/70/40/425437040.db2.gz HBRFBMINWSGGDI-UHFFFAOYSA-N 1 3 315.417 2.353 20 0 DEADHO C[C@H]([NH2+][C@H](CO)C1CCC1)c1ccc(OCCN(C)C)cc1 ZINC000658088442 425437402 /nfs/dbraw/zinc/43/74/02/425437402.db2.gz RYEYQMDEZKKWOI-KBXCAEBGSA-N 1 3 306.450 2.439 20 0 DEADHO C[C@H]([NH2+][C@@H](CO)C1CCC1)c1ccc(OCCN(C)C)cc1 ZINC000658088446 425437759 /nfs/dbraw/zinc/43/77/59/425437759.db2.gz RYEYQMDEZKKWOI-KSSFIOAISA-N 1 3 306.450 2.439 20 0 DEADHO COC[C@H]([NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)C(C)C ZINC000658138140 425444698 /nfs/dbraw/zinc/44/46/98/425444698.db2.gz IUXFVSIOPIKGMX-ROUUACIJSA-N 1 3 306.450 2.014 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@H]3C(C)C)CC2)CC1 ZINC000655144309 425506697 /nfs/dbraw/zinc/50/66/97/425506697.db2.gz WAUBRANGLXCXQW-ZWKOTPCHSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H](C3CCC3)C2)CC1 ZINC000665286873 425535970 /nfs/dbraw/zinc/53/59/70/425535970.db2.gz WOEJVBSQROVHKS-INIZCTEOSA-N 1 3 307.482 2.097 20 0 DEADHO COC[C@@H](CCC[NH3+])N[C@@H]1CCc2ccccc2-n2ccnc21 ZINC000665298979 425539898 /nfs/dbraw/zinc/53/98/98/425539898.db2.gz DHSUGLGDNFNFHD-HZPDHXFCSA-N 1 3 314.433 2.203 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000655351049 425542648 /nfs/dbraw/zinc/54/26/48/425542648.db2.gz KHCMZFXJUYQXGK-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO NC1(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC2(CCC2)C1 ZINC000659290831 425569251 /nfs/dbraw/zinc/56/92/51/425569251.db2.gz BNQBADMZWHTEPF-HNNXBMFYSA-N 1 3 305.466 2.125 20 0 DEADHO C[NH2+][C@@H](C)C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000655467917 425575958 /nfs/dbraw/zinc/57/59/58/425575958.db2.gz AVOIWZNVHDTMSO-AWEZNQCLSA-N 1 3 323.868 2.372 20 0 DEADHO COCC[C@@H](c1ccccc1)[NH+]1CCC(N2CC[C@H](O)C2)CC1 ZINC000662153001 425576480 /nfs/dbraw/zinc/57/64/80/425576480.db2.gz LVBLVUMMDYFYBP-OALUTQOASA-N 1 3 318.461 2.295 20 0 DEADHO CCc1ccc(CC[NH+]2CCC(N3CC[C@H](O)C3)CC2)cc1 ZINC000662154254 425577380 /nfs/dbraw/zinc/57/73/80/425577380.db2.gz GMIMOIUADIFFTJ-IBGZPJMESA-N 1 3 302.462 2.323 20 0 DEADHO Cc1occc1CN(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665638972 425610819 /nfs/dbraw/zinc/61/08/19/425610819.db2.gz IAPBWAAONMMWJG-AWEZNQCLSA-N 1 3 324.469 2.001 20 0 DEADHO Cc1occc1CN(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665638972 425610822 /nfs/dbraw/zinc/61/08/22/425610822.db2.gz IAPBWAAONMMWJG-AWEZNQCLSA-N 1 3 324.469 2.001 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCN(C(C)(C)C)C2)[C@H](C)C1 ZINC000665554355 425596510 /nfs/dbraw/zinc/59/65/10/425596510.db2.gz KOXAYGRGVRLCFW-PMPSAXMXSA-N 1 3 324.513 2.231 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCN(C(C)(C)C)C2)[C@H](C)C1 ZINC000665554355 425596514 /nfs/dbraw/zinc/59/65/14/425596514.db2.gz KOXAYGRGVRLCFW-PMPSAXMXSA-N 1 3 324.513 2.231 20 0 DEADHO CC(C)[C@H]([NH3+])CCNC(=O)NCCCN(C)Cc1ccccc1 ZINC000659432367 425601132 /nfs/dbraw/zinc/60/11/32/425601132.db2.gz XQHKOXGJIHZEKL-QGZVFWFLSA-N 1 3 320.481 2.181 20 0 DEADHO c1ccc(OCC2CC[NH+](C[C@H]3CCC4(CNC4)O3)CC2)cc1 ZINC000662252639 425602296 /nfs/dbraw/zinc/60/22/96/425602296.db2.gz CPSAAMJPFHLPPO-GOSISDBHSA-N 1 3 316.445 2.298 20 0 DEADHO c1ccc(COC[C@H]2CC[N@H+](C[C@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662256811 425603432 /nfs/dbraw/zinc/60/34/32/425603432.db2.gz KXIXFTGENKLDHP-ZWKOTPCHSA-N 1 3 316.445 2.046 20 0 DEADHO c1ccc(COC[C@H]2CC[N@@H+](C[C@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662256811 425603434 /nfs/dbraw/zinc/60/34/34/425603434.db2.gz KXIXFTGENKLDHP-ZWKOTPCHSA-N 1 3 316.445 2.046 20 0 DEADHO c1ccc(COC[C@H]2CC[N@H+](C[C@@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662256808 425604198 /nfs/dbraw/zinc/60/41/98/425604198.db2.gz KXIXFTGENKLDHP-ROUUACIJSA-N 1 3 316.445 2.046 20 0 DEADHO c1ccc(COC[C@H]2CC[N@@H+](C[C@@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662256808 425604204 /nfs/dbraw/zinc/60/42/04/425604204.db2.gz KXIXFTGENKLDHP-ROUUACIJSA-N 1 3 316.445 2.046 20 0 DEADHO COc1ccnc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1OC ZINC000662273028 425609539 /nfs/dbraw/zinc/60/95/39/425609539.db2.gz JSIQVRQXUPZWQL-CABCVRRESA-N 1 3 319.449 2.310 20 0 DEADHO O=C(NCC[NH2+]C1CCCCCC1)c1cc2c(s1)CCNC2 ZINC000662423358 425647726 /nfs/dbraw/zinc/64/77/26/425647726.db2.gz VPWFFCXEVSGWNM-UHFFFAOYSA-N 1 3 321.490 2.436 20 0 DEADHO C[C@@H]([NH3+])c1ccc(CNC(=O)c2cccc3c2CCNC3)cc1 ZINC000662429335 425648706 /nfs/dbraw/zinc/64/87/06/425648706.db2.gz IZUDZYXAZGLZPT-CYBMUJFWSA-N 1 3 309.413 2.282 20 0 DEADHO C[C@H]([NH3+])c1ccc(CNC(=O)c2cc3c(s2)CCNC3)cc1 ZINC000662430256 425649322 /nfs/dbraw/zinc/64/93/22/425649322.db2.gz ONTUSAOIMZIHMA-NSHDSACASA-N 1 3 315.442 2.344 20 0 DEADHO CO[C@](C)(CO)CN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000655786357 425655130 /nfs/dbraw/zinc/65/51/30/425655130.db2.gz PIVGWIBZOPVPMV-NJAFHUGGSA-N 1 3 306.450 2.027 20 0 DEADHO CO[C@](C)(CO)CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000655786357 425655132 /nfs/dbraw/zinc/65/51/32/425655132.db2.gz PIVGWIBZOPVPMV-NJAFHUGGSA-N 1 3 306.450 2.027 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C[C@H]3NCc4ccccc43)CC[C@@H]21 ZINC000662503174 425667049 /nfs/dbraw/zinc/66/70/49/425667049.db2.gz QAIFIFATKXDWKZ-NXHRZFHOSA-N 1 3 313.445 2.164 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C[C@H]3NCc4ccccc43)CC[C@@H]21 ZINC000662503174 425667053 /nfs/dbraw/zinc/66/70/53/425667053.db2.gz QAIFIFATKXDWKZ-NXHRZFHOSA-N 1 3 313.445 2.164 20 0 DEADHO C[NH+](C)CCC1CCN([C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000659852921 425669650 /nfs/dbraw/zinc/66/96/50/425669650.db2.gz QXYUQCMWIMIIBG-IXDOHACOSA-N 1 3 307.482 2.097 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)C[C@H]1NCc2ccccc21 ZINC000662532871 425675468 /nfs/dbraw/zinc/67/54/68/425675468.db2.gz VQMSNNWNLLOCMB-WMLDXEAASA-N 1 3 303.450 2.458 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)C[C@H]1NCc2ccccc21 ZINC000662532871 425675471 /nfs/dbraw/zinc/67/54/71/425675471.db2.gz VQMSNNWNLLOCMB-WMLDXEAASA-N 1 3 303.450 2.458 20 0 DEADHO O=C(C[C@H]1NCc2ccccc21)NC1CC([NH+]2CCCCC2)C1 ZINC000662532666 425676312 /nfs/dbraw/zinc/67/63/12/425676312.db2.gz CVWGIFQOMGOZCX-LEOMRAHMSA-N 1 3 313.445 2.354 20 0 DEADHO COc1ccc([C@H](CN)C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)cc1 ZINC000662303284 425619577 /nfs/dbraw/zinc/61/95/77/425619577.db2.gz UXOFHTXDTOSXEV-NXHRZFHOSA-N 1 3 304.434 2.096 20 0 DEADHO COc1ccc([C@H](CN)C[N@@H+]2C[C@]3(C)COC[C@]3(C)C2)cc1 ZINC000662303284 425619580 /nfs/dbraw/zinc/61/95/80/425619580.db2.gz UXOFHTXDTOSXEV-NXHRZFHOSA-N 1 3 304.434 2.096 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN2C[C@]3(C)COC[C@]3(C)C2)cc1 ZINC000662303284 425619584 /nfs/dbraw/zinc/61/95/84/425619584.db2.gz UXOFHTXDTOSXEV-NXHRZFHOSA-N 1 3 304.434 2.096 20 0 DEADHO CN(C)[C@H](CNC1CC[NH+]([C@H]2CCOC2)CC1)c1ccsc1 ZINC000655695344 425631623 /nfs/dbraw/zinc/63/16/23/425631623.db2.gz JZDHXPKRNBNGEV-DLBZAZTESA-N 1 3 323.506 2.194 20 0 DEADHO CN(CC[NH2+]C1CCN(C[C@H]2CCCO2)CC1)C1CCCCC1 ZINC000655699636 425631961 /nfs/dbraw/zinc/63/19/61/425631961.db2.gz GUPJASLPCNPBHH-LJQANCHMSA-N 1 3 323.525 2.484 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)NCC1CC[NH+](C2CC2)CC1 ZINC000662544678 425678949 /nfs/dbraw/zinc/67/89/49/425678949.db2.gz FDUDCZUVFPCMNV-SFHVURJKSA-N 1 3 313.445 2.212 20 0 DEADHO CC(C)N1CCC[C@H](C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000655717060 425637369 /nfs/dbraw/zinc/63/73/69/425637369.db2.gz TWQUWYSSTFOBQP-MJGOQNOKSA-N 1 3 323.525 2.340 20 0 DEADHO C[C@H](CNC(=O)c1cccc2c1CNC2)[N@@H+]1CCC[C@H](C)C1 ZINC000662387313 425638946 /nfs/dbraw/zinc/63/89/46/425638946.db2.gz KJHOQUNQDKSWGD-UONOGXRCSA-N 1 3 301.434 2.140 20 0 DEADHO C[C@H](CNC(=O)c1cccc2c1CNC2)[N@H+]1CCC[C@H](C)C1 ZINC000662387313 425638952 /nfs/dbraw/zinc/63/89/52/425638952.db2.gz KJHOQUNQDKSWGD-UONOGXRCSA-N 1 3 301.434 2.140 20 0 DEADHO CC[C@@H]([NH2+]C)C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000662391316 425640168 /nfs/dbraw/zinc/64/01/68/425640168.db2.gz YKSAWRCFSFNPJL-QGZVFWFLSA-N 1 3 303.450 2.074 20 0 DEADHO CC[C@](C)(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1CC1 ZINC000665763449 425640376 /nfs/dbraw/zinc/64/03/76/425640376.db2.gz AZQZLCVTHSBRER-YOEHRIQHSA-N 1 3 312.502 2.136 20 0 DEADHO CC[C@](C)(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1CC1 ZINC000665763449 425640379 /nfs/dbraw/zinc/64/03/79/425640379.db2.gz AZQZLCVTHSBRER-YOEHRIQHSA-N 1 3 312.502 2.136 20 0 DEADHO O=C(C[C@H]1NCc2ccccc21)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000662396723 425642108 /nfs/dbraw/zinc/64/21/08/425642108.db2.gz HDMQZSXJTSOTEL-FUHWJXTLSA-N 1 3 313.445 2.308 20 0 DEADHO C[C@@H]1CC[C@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)CS1 ZINC000655738846 425642650 /nfs/dbraw/zinc/64/26/50/425642650.db2.gz ZPVYXLIQQQGFEG-HIFRSBDPSA-N 1 3 309.479 2.396 20 0 DEADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc2c1CCNC2 ZINC000662788498 425734890 /nfs/dbraw/zinc/73/48/90/425734890.db2.gz KHIRUZAAVCQXOM-CQSZACIVSA-N 1 3 315.461 2.135 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662598407 425690616 /nfs/dbraw/zinc/69/06/16/425690616.db2.gz VJJXGLADQKOZJF-IAGOWNOFSA-N 1 3 307.482 2.099 20 0 DEADHO CN1CCC(O)(C[NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666091044 425698990 /nfs/dbraw/zinc/69/89/90/425698990.db2.gz LBYXOTBTGGHYEV-AWEZNQCLSA-N 1 3 308.853 2.244 20 0 DEADHO CN(C[C@H]1CCOC1)CC1(C[N@H+](C)C[C@H]2CCOC2)CCC1 ZINC000659988354 425707120 /nfs/dbraw/zinc/70/71/20/425707120.db2.gz UZMKHZSOSSYMIF-IAGOWNOFSA-N 1 3 310.482 2.093 20 0 DEADHO CN(C[C@H]1CCOC1)CC1(C[N@@H+](C)C[C@H]2CCOC2)CCC1 ZINC000659988354 425707121 /nfs/dbraw/zinc/70/71/21/425707121.db2.gz UZMKHZSOSSYMIF-IAGOWNOFSA-N 1 3 310.482 2.093 20 0 DEADHO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc2c(c1)CNC2 ZINC000662668371 425707185 /nfs/dbraw/zinc/70/71/85/425707185.db2.gz LKSHCNZTRJWYDB-QGZVFWFLSA-N 1 3 313.445 2.427 20 0 DEADHO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc2c(c1)CNC2 ZINC000662668371 425707187 /nfs/dbraw/zinc/70/71/87/425707187.db2.gz LKSHCNZTRJWYDB-QGZVFWFLSA-N 1 3 313.445 2.427 20 0 DEADHO C[C@@H](CNC(=O)c1cc2c(s1)CCNC2)[N@@H+]1CCCC[C@H]1C ZINC000662679472 425710914 /nfs/dbraw/zinc/71/09/14/425710914.db2.gz OQUZEJPPAQRDRY-OLZOCXBDSA-N 1 3 321.490 2.387 20 0 DEADHO C[C@@H](CNC(=O)c1cc2c(s1)CCNC2)[N@H+]1CCCC[C@H]1C ZINC000662679472 425710917 /nfs/dbraw/zinc/71/09/17/425710917.db2.gz OQUZEJPPAQRDRY-OLZOCXBDSA-N 1 3 321.490 2.387 20 0 DEADHO C[C@H](CNC(=O)c1cc2c(s1)CCNC2)[N@@H+]1CCCC[C@@H]1C ZINC000662679473 425711108 /nfs/dbraw/zinc/71/11/08/425711108.db2.gz OQUZEJPPAQRDRY-QWHCGFSZSA-N 1 3 321.490 2.387 20 0 DEADHO C[C@H](CNC(=O)c1cc2c(s1)CCNC2)[N@H+]1CCCC[C@@H]1C ZINC000662679473 425711110 /nfs/dbraw/zinc/71/11/10/425711110.db2.gz OQUZEJPPAQRDRY-QWHCGFSZSA-N 1 3 321.490 2.387 20 0 DEADHO CCCN1CC[C@@H](NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)C1 ZINC000662702670 425717569 /nfs/dbraw/zinc/71/75/69/425717569.db2.gz CDBJQZFRKAVZLI-DLBZAZTESA-N 1 3 315.461 2.279 20 0 DEADHO C[C@@H](CCCCO)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000666234759 425721336 /nfs/dbraw/zinc/72/13/36/425721336.db2.gz RWPLDFQIUCCPGY-KRWDZBQOSA-N 1 3 320.477 2.154 20 0 DEADHO CN1CCC[C@@H](CNC(=O)CC2([NH3+])CC2)[C@@H]1c1cccs1 ZINC000662745215 425727965 /nfs/dbraw/zinc/72/79/65/425727965.db2.gz JTNQJVNLQLIEFV-SWLSCSKDSA-N 1 3 307.463 2.129 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cccc3c2CCNC3)C1 ZINC000662745644 425728368 /nfs/dbraw/zinc/72/83/68/425728368.db2.gz GBCZBOMXRYSTLT-HNNXBMFYSA-N 1 3 315.461 2.136 20 0 DEADHO COc1cc2nccc(NC[C@H]3C[C@@H]([NH+](C)C)C3)c2cc1OC ZINC000656211825 425733531 /nfs/dbraw/zinc/73/35/31/425733531.db2.gz MODGTDYGFOQFLM-BETUJISGSA-N 1 3 315.417 2.426 20 0 DEADHO CO[C@@H](C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1)C1CCC1 ZINC000660277984 425781698 /nfs/dbraw/zinc/78/16/98/425781698.db2.gz WWCLIMJOCADUCG-SFHVURJKSA-N 1 3 323.525 2.151 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCC1=CCCCC1 ZINC000656540017 425788947 /nfs/dbraw/zinc/78/89/47/425788947.db2.gz BNIYKJJLZQOQDZ-INIZCTEOSA-N 1 3 324.513 2.448 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCC1=CCCCC1 ZINC000656540017 425788950 /nfs/dbraw/zinc/78/89/50/425788950.db2.gz BNIYKJJLZQOQDZ-INIZCTEOSA-N 1 3 324.513 2.448 20 0 DEADHO CCN(C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCN(C)C1 ZINC000666658724 425797415 /nfs/dbraw/zinc/79/74/15/425797415.db2.gz LJTPVGCQLMOKIP-NVXWUHKLSA-N 1 3 322.497 2.129 20 0 DEADHO CCN(C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCN(C)C1 ZINC000666658724 425797417 /nfs/dbraw/zinc/79/74/17/425797417.db2.gz LJTPVGCQLMOKIP-NVXWUHKLSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662843784 425747104 /nfs/dbraw/zinc/74/71/04/425747104.db2.gz USNVSTXAWZUCHC-INMHGKMJSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cccc3c2CCNC3)C1 ZINC000662846551 425748847 /nfs/dbraw/zinc/74/88/47/425748847.db2.gz RGUAMGOFWJKRGG-CQSZACIVSA-N 1 3 315.461 2.183 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cccc3c2CCNC3)C1 ZINC000662846551 425748852 /nfs/dbraw/zinc/74/88/52/425748852.db2.gz RGUAMGOFWJKRGG-CQSZACIVSA-N 1 3 315.461 2.183 20 0 DEADHO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)C1(NC2CC2)CCC1 ZINC000662878626 425755551 /nfs/dbraw/zinc/75/55/51/425755551.db2.gz UQOBWPFKEIFULC-HNNXBMFYSA-N 1 3 305.466 2.184 20 0 DEADHO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)C1(NC2CC2)CCC1 ZINC000662878626 425755554 /nfs/dbraw/zinc/75/55/54/425755554.db2.gz UQOBWPFKEIFULC-HNNXBMFYSA-N 1 3 305.466 2.184 20 0 DEADHO COc1cc2nccc(N(C)[C@H](C[NH3+])C3CC3)c2cc1OC ZINC000663240379 425820559 /nfs/dbraw/zinc/82/05/59/425820559.db2.gz BKNNRMSMMBCUQH-OAHLLOKOSA-N 1 3 301.390 2.426 20 0 DEADHO CC(C)C[C@H](CN(C)C)NC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000372563294 269089990 /nfs/dbraw/zinc/08/99/90/269089990.db2.gz XUYSUNDJPNJZOR-OAHLLOKOSA-N 1 3 320.481 2.119 20 0 DEADHO [NH3+][C@H](C(=O)NC[C@H](c1ccccc1)N1CCCC1)C1CCC1 ZINC000398952740 269109795 /nfs/dbraw/zinc/10/97/95/269109795.db2.gz CWOJUAUEWWTISU-SJORKVTESA-N 1 3 301.434 2.067 20 0 DEADHO CO[C@@H]1CCC[C@H]1N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423148644 269116009 /nfs/dbraw/zinc/11/60/09/269116009.db2.gz GIJDVFXDKRHMSI-JOCBIADPSA-N 1 3 302.418 2.399 20 0 DEADHO C[C@@H]1C[N@H+](CCCNCc2cccc3c[nH]nc32)CCCO1 ZINC000432347381 269134883 /nfs/dbraw/zinc/13/48/83/269134883.db2.gz OXGFVTLADMJSCY-CQSZACIVSA-N 1 3 302.422 2.153 20 0 DEADHO C[C@@H]1C[N@@H+](CCCNCc2cccc3c[nH]nc32)CCCO1 ZINC000432347381 269134885 /nfs/dbraw/zinc/13/48/85/269134885.db2.gz OXGFVTLADMJSCY-CQSZACIVSA-N 1 3 302.422 2.153 20 0 DEADHO C[C@@H](CN)C[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496539313 269227860 /nfs/dbraw/zinc/22/78/60/269227860.db2.gz KLDRBXHNNWREQG-GJZGRUSLSA-N 1 3 305.422 2.224 20 0 DEADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(N2CCOC2=O)c1 ZINC000497077156 269283900 /nfs/dbraw/zinc/28/39/00/269283900.db2.gz CVWPNZGYQOKPHB-HZPDHXFCSA-N 1 3 303.406 2.393 20 0 DEADHO CCc1ccc(C[N@@H+]2CCC[C@@H](n3cc(CN)nn3)C2)s1 ZINC000515615133 269352580 /nfs/dbraw/zinc/35/25/80/269352580.db2.gz RRGHBOVVKWZJRR-CYBMUJFWSA-N 1 3 305.451 2.198 20 0 DEADHO CCc1ccc(C[N@H+]2CCC[C@@H](n3cc(CN)nn3)C2)s1 ZINC000515615133 269352581 /nfs/dbraw/zinc/35/25/81/269352581.db2.gz RRGHBOVVKWZJRR-CYBMUJFWSA-N 1 3 305.451 2.198 20 0 DEADHO O=C(CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)NC1CCCCC1 ZINC000517356252 269383965 /nfs/dbraw/zinc/38/39/65/269383965.db2.gz SRPLMDXEGXIODL-ZACQAIPSSA-N 1 3 307.482 2.336 20 0 DEADHO O=C(CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)NC1CCCCC1 ZINC000517356251 269384066 /nfs/dbraw/zinc/38/40/66/269384066.db2.gz SRPLMDXEGXIODL-GVDBMIGSSA-N 1 3 307.482 2.336 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC(N2CCOC[C@@H]2C)CC1 ZINC000517957163 269394839 /nfs/dbraw/zinc/39/48/39/269394839.db2.gz NPLAJCSWKBUKLN-PKOBYXMFSA-N 1 3 323.525 2.434 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1CN1CCC(N2CCOC[C@@H]2C)CC1 ZINC000517957163 269394840 /nfs/dbraw/zinc/39/48/40/269394840.db2.gz NPLAJCSWKBUKLN-PKOBYXMFSA-N 1 3 323.525 2.434 20 0 DEADHO C[C@@H]1CN(CCC(=O)N[C@@H]2CCCc3ccccc32)CC[C@@H]1[NH3+] ZINC000430945038 274347294 /nfs/dbraw/zinc/34/72/94/274347294.db2.gz VTGVALNDVWEOFX-FHLIZLRMSA-N 1 3 315.461 2.239 20 0 DEADHO O=C1Nc2ccccc2CC[C@H]1N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420321463 275025715 /nfs/dbraw/zinc/02/57/15/275025715.db2.gz VGQWRJMFOBNDEM-SJLPKXTDSA-N 1 3 313.445 2.261 20 0 DEADHO CC(C)C1CCC(N2CCN(C(=O)N[C@@H](C)CC[NH3+])CC2)CC1 ZINC000418567917 275560328 /nfs/dbraw/zinc/56/03/28/275560328.db2.gz XCMBTUZVKVMKON-GTPINHCMSA-N 1 3 324.513 2.266 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000418351423 275748624 /nfs/dbraw/zinc/74/86/24/275748624.db2.gz LRXZZJDDNVZWKN-IAOVAPTHSA-N 1 3 318.465 2.189 20 0 DEADHO CC1(C)CCCN(CCNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000445267824 276104956 /nfs/dbraw/zinc/10/49/56/276104956.db2.gz RZYNONCMGPMFBW-CVEARBPZSA-N 1 3 322.497 2.034 20 0 DEADHO CC1(C)CCCN(CCNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000445267824 276104958 /nfs/dbraw/zinc/10/49/58/276104958.db2.gz RZYNONCMGPMFBW-CVEARBPZSA-N 1 3 322.497 2.034 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000104261395 276159221 /nfs/dbraw/zinc/15/92/21/276159221.db2.gz ISNJYZSJFATLAS-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000104261395 276159222 /nfs/dbraw/zinc/15/92/22/276159222.db2.gz ISNJYZSJFATLAS-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO CCCC[C@H](N)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000236771500 276243404 /nfs/dbraw/zinc/24/34/04/276243404.db2.gz BUCHBOZHLYAAEN-SJORKVTESA-N 1 3 309.498 2.474 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000354264984 276361820 /nfs/dbraw/zinc/36/18/20/276361820.db2.gz IVSWHNYCZQNZQV-BRWVUGGUSA-N 1 3 309.498 2.345 20 0 DEADHO C[NH+](C)C1CCN(CCN[C@@H]2CCc3c2cccc3F)CC1 ZINC000268920654 276772989 /nfs/dbraw/zinc/77/29/89/276772989.db2.gz JXYSCCCEHJOYBN-GOSISDBHSA-N 1 3 305.441 2.429 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)c1 ZINC000424068855 276811518 /nfs/dbraw/zinc/81/15/18/276811518.db2.gz AZOJQXHYEIRMBV-KRWDZBQOSA-N 1 3 309.413 2.278 20 0 DEADHO C(COC1CCCCCC1)N[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422755802 276811930 /nfs/dbraw/zinc/81/19/30/276811930.db2.gz HDCXLRZCHIAFAQ-KZNAEPCWSA-N 1 3 310.482 2.473 20 0 DEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415954291 277041345 /nfs/dbraw/zinc/04/13/45/277041345.db2.gz IFMRRFKPXYVHCA-OAHLLOKOSA-N 1 3 304.438 2.387 20 0 DEADHO CC(C)(C(=O)NCCN1CCCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000423315821 277124452 /nfs/dbraw/zinc/12/44/52/277124452.db2.gz XPYZHXNKDSQADI-INIZCTEOSA-N 1 3 303.450 2.315 20 0 DEADHO CC(C)(C)[NH+]1CCC(NC(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000171046953 277149880 /nfs/dbraw/zinc/14/98/80/277149880.db2.gz PZYIYANRERBAJF-MRXNPFEDSA-N 1 3 322.497 2.129 20 0 DEADHO COC[C@H](C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)OC ZINC000274814349 277260120 /nfs/dbraw/zinc/26/01/20/277260120.db2.gz YPXUJUXFFJJNRL-NXHRZFHOSA-N 1 3 306.450 2.148 20 0 DEADHO COC[C@H](CN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC000274814349 277260121 /nfs/dbraw/zinc/26/01/21/277260121.db2.gz YPXUJUXFFJJNRL-NXHRZFHOSA-N 1 3 306.450 2.148 20 0 DEADHO COC[C@H](CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)OC ZINC000274814349 277260124 /nfs/dbraw/zinc/26/01/24/277260124.db2.gz YPXUJUXFFJJNRL-NXHRZFHOSA-N 1 3 306.450 2.148 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000422175488 277395087 /nfs/dbraw/zinc/39/50/87/277395087.db2.gz ALIAJMQDYXUBIB-IAGOWNOFSA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000422175488 277395088 /nfs/dbraw/zinc/39/50/88/277395088.db2.gz ALIAJMQDYXUBIB-IAGOWNOFSA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)Cc1ccc([C@@H](CNC(=O)N[C@H](C)C[NH3+])N(C)C)cc1 ZINC000418197082 277512624 /nfs/dbraw/zinc/51/26/24/277512624.db2.gz SMTQYSXHURSCGK-RHSMWYFYSA-N 1 3 320.481 2.134 20 0 DEADHO CC(C)N1CCN(C2CC[NH+](C[C@@H]3CC[C@H](C)O3)CC2)CC1 ZINC000373694145 277609324 /nfs/dbraw/zinc/60/93/24/277609324.db2.gz DYSJCFVEIXMBDE-WMZOPIPTSA-N 1 3 309.498 2.044 20 0 DEADHO COc1cccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2[C@@H](C)N)c1 ZINC000430614265 278017578 /nfs/dbraw/zinc/01/75/78/278017578.db2.gz YVGHSFDNNYNASJ-CZUORRHYSA-N 1 3 305.422 2.226 20 0 DEADHO COc1cccc(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@@H](C)N)c1 ZINC000430614265 278017580 /nfs/dbraw/zinc/01/75/80/278017580.db2.gz YVGHSFDNNYNASJ-CZUORRHYSA-N 1 3 305.422 2.226 20 0 DEADHO COc1cccc2c1CC[C@H]2NCCC[NH+]1CCC(O)CC1 ZINC000268849305 278036141 /nfs/dbraw/zinc/03/61/41/278036141.db2.gz PIFKRGUPSRWPLL-QGZVFWFLSA-N 1 3 304.434 2.119 20 0 DEADHO CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2C[C@@H](C)NC[C@H]2C)cc1 ZINC000418353917 278049760 /nfs/dbraw/zinc/04/97/60/278049760.db2.gz NZHBWTCLXKQVQV-CKEIUWERSA-N 1 3 318.465 2.202 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)N1CCC([C@H](C)[NH3+])CC1 ZINC000430931848 278153691 /nfs/dbraw/zinc/15/36/91/278153691.db2.gz FBLNOWAXAXYNQX-OWVAZHOYSA-N 1 3 309.498 2.375 20 0 DEADHO C[C@H](CCNC(=O)/C=C\CN(C)C)[N@H+](C)Cc1ccccc1 ZINC000492043251 278172756 /nfs/dbraw/zinc/17/27/56/278172756.db2.gz QZNFVVYOBKZKSJ-JXMNSVBMSA-N 1 3 303.450 2.131 20 0 DEADHO C[C@H](CCNC(=O)/C=C\CN(C)C)[N@@H+](C)Cc1ccccc1 ZINC000492043251 278172758 /nfs/dbraw/zinc/17/27/58/278172758.db2.gz QZNFVVYOBKZKSJ-JXMNSVBMSA-N 1 3 303.450 2.131 20 0 DEADHO C[C@@H](C(=O)N1CCC(C)CC1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374161253 278186645 /nfs/dbraw/zinc/18/66/45/278186645.db2.gz LWTUXJIUHCXNFO-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H](C(=O)NCC[N@H+](C)C1CCCC1)[C@H](N)c1ccccc1 ZINC000262127998 278207474 /nfs/dbraw/zinc/20/74/74/278207474.db2.gz LHMCBCYSMDTYKX-PBHICJAKSA-N 1 3 303.450 2.313 20 0 DEADHO C[C@@H](C(=O)NCC[N@@H+](C)C1CCCC1)[C@H](N)c1ccccc1 ZINC000262127998 278207475 /nfs/dbraw/zinc/20/74/75/278207475.db2.gz LHMCBCYSMDTYKX-PBHICJAKSA-N 1 3 303.450 2.313 20 0 DEADHO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420344030 278211593 /nfs/dbraw/zinc/21/15/93/278211593.db2.gz RSAUEBWSBCCJJC-WKULXVSPSA-N 1 3 321.509 2.391 20 0 DEADHO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1=CCN(C)CC1 ZINC000358393509 278248000 /nfs/dbraw/zinc/24/80/00/278248000.db2.gz IAAALBXOHNHFCC-YOEHRIQHSA-N 1 3 305.466 2.160 20 0 DEADHO C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1=CCN(C)CC1 ZINC000358393509 278248001 /nfs/dbraw/zinc/24/80/01/278248001.db2.gz IAAALBXOHNHFCC-YOEHRIQHSA-N 1 3 305.466 2.160 20 0 DEADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000443648853 288077956 /nfs/dbraw/zinc/07/79/56/288077956.db2.gz GKEZTTSPHKSQDR-HZPDHXFCSA-N 1 3 324.513 2.233 20 0 DEADHO Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423482064 278838783 /nfs/dbraw/zinc/83/87/83/278838783.db2.gz XOYMDDCPOWPOHY-XHSDSOJGSA-N 1 3 324.490 2.264 20 0 DEADHO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N1CCC2(C1)CC[NH2+]CC2 ZINC000358501861 279232811 /nfs/dbraw/zinc/23/28/11/279232811.db2.gz UFLBXUHMZUNCBM-TWMKSMIVSA-N 1 3 321.509 2.391 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H](C)CCC[NH3+] ZINC000418686790 279235694 /nfs/dbraw/zinc/23/56/94/279235694.db2.gz KUJFXFZDMQIYOQ-HNNXBMFYSA-N 1 3 320.481 2.407 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000131364352 279276540 /nfs/dbraw/zinc/27/65/40/279276540.db2.gz WNVFFTDOUJAWNE-IRXDYDNUSA-N 1 3 307.482 2.338 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000246635290 279300255 /nfs/dbraw/zinc/30/02/55/279300255.db2.gz OJQBKIGTNOCOJB-OIISXLGYSA-N 1 3 303.450 2.265 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000246635290 279300258 /nfs/dbraw/zinc/30/02/58/279300258.db2.gz OJQBKIGTNOCOJB-OIISXLGYSA-N 1 3 303.450 2.265 20 0 DEADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000433958170 279316112 /nfs/dbraw/zinc/31/61/12/279316112.db2.gz NCNMJIGFAPMTKM-WBVHZDCISA-N 1 3 322.497 2.034 20 0 DEADHO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000433958170 279316115 /nfs/dbraw/zinc/31/61/15/279316115.db2.gz NCNMJIGFAPMTKM-WBVHZDCISA-N 1 3 322.497 2.034 20 0 DEADHO C[C@H](CNC(=O)N1CCCC[C@H]1C[NH3+])N(C)Cc1ccccc1 ZINC000417561706 279329508 /nfs/dbraw/zinc/32/95/08/279329508.db2.gz BKCHSXDOXXYYPP-WBVHZDCISA-N 1 3 318.465 2.030 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415889928 279370280 /nfs/dbraw/zinc/37/02/80/279370280.db2.gz CPMQRGBMJLDMOP-CYBMUJFWSA-N 1 3 304.438 2.183 20 0 DEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415889928 279370284 /nfs/dbraw/zinc/37/02/84/279370284.db2.gz CPMQRGBMJLDMOP-CYBMUJFWSA-N 1 3 304.438 2.183 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCc3nn(C)cc32)C[C@H](C)O1 ZINC000358754712 288160696 /nfs/dbraw/zinc/16/06/96/288160696.db2.gz NKYJMVOVJIJONZ-HLLBOEOZSA-N 1 3 320.481 2.277 20 0 DEADHO CC(C)[C@@H](C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1)N(C)C ZINC000464783175 279784279 /nfs/dbraw/zinc/78/42/79/279784279.db2.gz HHIJBECWAFEUFR-JYJNAYRXSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)[C@@H](CNC(=O)N1C[C@H](C)NC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000417007514 279843657 /nfs/dbraw/zinc/84/36/57/279843657.db2.gz KZWIVPVRPHMHDQ-YESZJQIVSA-N 1 3 324.513 2.135 20 0 DEADHO C[C@@H]1CN(C[C@@H]2CCC(C)(C)O2)CCN1C1CC[NH+](C)CC1 ZINC000360135030 288186174 /nfs/dbraw/zinc/18/61/74/288186174.db2.gz YRXXBVWYMIFWCY-WBVHZDCISA-N 1 3 309.498 2.044 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)N1CCCCC1 ZINC000361713647 280161100 /nfs/dbraw/zinc/16/11/00/280161100.db2.gz ZPUIQKMPAZNTOW-OKZBNKHCSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)N1CCCCC1 ZINC000361713647 280161101 /nfs/dbraw/zinc/16/11/01/280161101.db2.gz ZPUIQKMPAZNTOW-OKZBNKHCSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@@H]1CCC[N@H+](C)C1)N1CCCCC1 ZINC000458175260 280171643 /nfs/dbraw/zinc/17/16/43/280171643.db2.gz SRSQQGDMQWJCCE-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)N1CCCCC1 ZINC000458175260 280171644 /nfs/dbraw/zinc/17/16/44/280171644.db2.gz SRSQQGDMQWJCCE-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH+]1CCC(C)CC1 ZINC000362391236 280249414 /nfs/dbraw/zinc/24/94/14/280249414.db2.gz OPUJOKFMWVNZPH-DLBZAZTESA-N 1 3 311.514 2.445 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CCCCN1CC ZINC000303592884 280251923 /nfs/dbraw/zinc/25/19/23/280251923.db2.gz MPWQRWXXCYRMHQ-SJORKVTESA-N 1 3 324.513 2.425 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1CCCCN1CC ZINC000303592884 280251924 /nfs/dbraw/zinc/25/19/24/280251924.db2.gz MPWQRWXXCYRMHQ-SJORKVTESA-N 1 3 324.513 2.425 20 0 DEADHO Cc1ccccc1C[C@H](CO)N[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423062532 281345945 /nfs/dbraw/zinc/34/59/45/281345945.db2.gz UJXQQYZTAQVPSZ-NSISKUIASA-N 1 3 312.457 2.447 20 0 DEADHO C[NH+](C)CC1(CNC(=O)NC2CCN(C3CC3)CC2)CCCC1 ZINC000185457947 282069862 /nfs/dbraw/zinc/06/98/62/282069862.db2.gz KUCDNCMAFQRGHF-UHFFFAOYSA-N 1 3 322.497 2.034 20 0 DEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCC(CS(C)(=O)=O)CC2)C1 ZINC000340259467 289303482 /nfs/dbraw/zinc/30/34/82/289303482.db2.gz OEELZICDEPXNAU-QDIHITRGSA-N 1 3 316.511 2.052 20 0 DEADHO CN(C)[C@H](CNC(=O)[C@@H](C[NH3+])c1ccccc1)c1ccccc1 ZINC000237193571 289359001 /nfs/dbraw/zinc/35/90/01/289359001.db2.gz KUUNPSIIMIQVCV-ZWKOTPCHSA-N 1 3 311.429 2.148 20 0 DEADHO C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000274752507 289808502 /nfs/dbraw/zinc/80/85/02/289808502.db2.gz XINCYJBVWKQPMS-YOEHRIQHSA-N 1 3 303.450 2.136 20 0 DEADHO COc1ccc([C@@H](CN[C@@H](C)C2C[NH2+]C2)N2CCCC2)cc1 ZINC000422762212 295213242 /nfs/dbraw/zinc/21/32/42/295213242.db2.gz SCEZPEQVYXBQAC-KBXCAEBGSA-N 1 3 303.450 2.030 20 0 DEADHO [NH3+]CCCN1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000414740478 295229928 /nfs/dbraw/zinc/22/99/28/295229928.db2.gz GMQGQBGRZZMHSJ-ZDUSSCGKSA-N 1 3 308.401 2.008 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000332325310 295256600 /nfs/dbraw/zinc/25/66/00/295256600.db2.gz RHDDDGGDMPGYCY-DLBZAZTESA-N 1 3 322.497 2.021 20 0 DEADHO C[C@H](C(=O)N1CCCC12CC[NH+](C)CC2)N1CCCCCC1 ZINC000372433460 298012633 /nfs/dbraw/zinc/01/26/33/298012633.db2.gz IRQSILBRAJJHIQ-MRXNPFEDSA-N 1 3 307.482 2.338 20 0 DEADHO C[C@H](C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CCCCCC1 ZINC000449198491 298030662 /nfs/dbraw/zinc/03/06/62/298030662.db2.gz BWDDGDLJOBMVEI-BRWVUGGUSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H](NC(=O)C12CCC[NH+]1CCC2)[C@@H](c1ccccc1)N(C)C ZINC000365612729 299033384 /nfs/dbraw/zinc/03/33/84/299033384.db2.gz YUXAPKDVXMZKEL-RDJZCZTQSA-N 1 3 315.461 2.422 20 0 DEADHO Cc1cc(C)c2c(c1)[C@@H](NCCN1CC[NH2+]CC1)CCCO2 ZINC000423203425 301210094 /nfs/dbraw/zinc/21/00/94/301210094.db2.gz MPTFYYPFLMZPFS-KRWDZBQOSA-N 1 3 303.450 2.012 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)C1CC([NH3+])C1)N(C)C ZINC000418162754 302200707 /nfs/dbraw/zinc/20/07/07/302200707.db2.gz CWWLYSREVPUOQV-VXTDNTOSSA-N 1 3 318.465 2.117 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@@H](C)CC[NH3+])N(C)C ZINC000418176449 302201367 /nfs/dbraw/zinc/20/13/67/302201367.db2.gz HAJLBMBVAIPYNQ-LZWOXQAQSA-N 1 3 306.454 2.023 20 0 DEADHO Fc1ccc(OCCCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422783838 303130330 /nfs/dbraw/zinc/13/03/30/303130330.db2.gz OUIACJLRKRQAGE-KZNAEPCWSA-N 1 3 322.424 2.341 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2ccsc2)C1 ZINC000414671107 303366420 /nfs/dbraw/zinc/36/64/20/303366420.db2.gz FGXUWSXAVJUXPK-UKRRQHHQSA-N 1 3 307.463 2.082 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]2c2ccsc2)C1 ZINC000414671107 303366423 /nfs/dbraw/zinc/36/64/23/303366423.db2.gz FGXUWSXAVJUXPK-UKRRQHHQSA-N 1 3 307.463 2.082 20 0 DEADHO [NH3+][C@@H]1CC[C@@H](C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000262658117 303471245 /nfs/dbraw/zinc/47/12/45/303471245.db2.gz DMGQCPFCDASACQ-BRWVUGGUSA-N 1 3 301.434 2.067 20 0 DEADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000573320691 326044763 /nfs/dbraw/zinc/04/47/63/326044763.db2.gz FXZQNLYZGZBNKW-SQWLQELKSA-N 1 3 321.490 2.074 20 0 DEADHO CC(C)(CNC[C@@H](O)COCc1ccccc1)C[NH+]1CCCC1 ZINC000573795603 326092662 /nfs/dbraw/zinc/09/26/62/326092662.db2.gz SNKSLOJZAOOYMB-GOSISDBHSA-N 1 3 320.477 2.276 20 0 DEADHO CC(C)(C[NH2+]C[C@@H](O)COCc1ccccc1)CN1CCCC1 ZINC000573795603 326092664 /nfs/dbraw/zinc/09/26/64/326092664.db2.gz SNKSLOJZAOOYMB-GOSISDBHSA-N 1 3 320.477 2.276 20 0 DEADHO C[C@H]1CC2(CN1C(=O)c1ccc(CN(C)C)cc1)CC[NH2+]CC2 ZINC000574157194 326127914 /nfs/dbraw/zinc/12/79/14/326127914.db2.gz WWSGZAWKVFHJMB-HNNXBMFYSA-N 1 3 315.461 2.352 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N(C)CCC[NH+](C)C)c1ccco1 ZINC000576492442 326297886 /nfs/dbraw/zinc/29/78/86/326297886.db2.gz XPNWBFUIJGQXSH-LSDHHAIUSA-N 1 3 324.469 2.302 20 0 DEADHO CC1(C)CCN(CC(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000577122957 326344245 /nfs/dbraw/zinc/34/42/45/326344245.db2.gz YFBWYULDILYCME-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CN[C@@H](C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000577412838 326365139 /nfs/dbraw/zinc/36/51/39/326365139.db2.gz QZFFXBMESMVOPP-GJZGRUSLSA-N 1 3 303.450 2.143 20 0 DEADHO CN[C@@H](C)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000577412838 326365140 /nfs/dbraw/zinc/36/51/40/326365140.db2.gz QZFFXBMESMVOPP-GJZGRUSLSA-N 1 3 303.450 2.143 20 0 DEADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc2c(c1)CNC2 ZINC000582486904 337097684 /nfs/dbraw/zinc/09/76/84/337097684.db2.gz SMISVVAWPWBZMS-QGZVFWFLSA-N 1 3 317.433 2.022 20 0 DEADHO CCN(C(=O)[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000582847385 337209833 /nfs/dbraw/zinc/20/98/33/337209833.db2.gz MJOOKWVSDNVSCE-NRSFXHEJSA-N 1 3 315.461 2.408 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCCC[NH2+]2)CN1Cc1ccccc1 ZINC000398009920 337303956 /nfs/dbraw/zinc/30/39/56/337303956.db2.gz CFUHHTORTUNKIK-NXHRZFHOSA-N 1 3 315.461 2.298 20 0 DEADHO O=C(CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)Nc1ccccn1 ZINC000584404619 337319839 /nfs/dbraw/zinc/31/98/39/337319839.db2.gz BVEDKIJYKPLIPI-ARFHVFGLSA-N 1 3 316.449 2.311 20 0 DEADHO C[C@H](CCNCCC(=O)Nc1cccnc1)[NH+]1CCCCC1 ZINC000583808431 337335869 /nfs/dbraw/zinc/33/58/69/337335869.db2.gz VENXARLSESBRAC-OAHLLOKOSA-N 1 3 304.438 2.264 20 0 DEADHO C[C@H](CC[NH2+]CCC(=O)Nc1cccnc1)N1CCCCC1 ZINC000583808431 337335870 /nfs/dbraw/zinc/33/58/70/337335870.db2.gz VENXARLSESBRAC-OAHLLOKOSA-N 1 3 304.438 2.264 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NC[C@H]1CCCC[N@H+]1CC1CC1 ZINC001376572647 1159557283 /nfs/dbraw/zinc/55/72/83/1159557283.db2.gz FOFKGUDRCOHDGO-HZPDHXFCSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]C/C=C\Cl)CC1)N(C)C ZINC001378449705 1152333240 /nfs/dbraw/zinc/33/32/40/1152333240.db2.gz BAGVCLYCRIZOQU-BGVKGVKJSA-N 1 3 315.889 2.342 20 0 DEADHO C[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C1C[NH+](CC2CCC2)C1 ZINC001378557929 1152375584 /nfs/dbraw/zinc/37/55/84/1152375584.db2.gz KWJUNCMGOAQYKT-HZPDHXFCSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001378580203 1152382938 /nfs/dbraw/zinc/38/29/38/1152382938.db2.gz OLMFZNSQYJWJHH-CXAGYDPISA-N 1 3 323.456 2.316 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C1C[NH+](CCCC2CCC2)C1 ZINC001378590308 1152386550 /nfs/dbraw/zinc/38/65/50/1152386550.db2.gz VCLQGXPCZZTVNE-HNNXBMFYSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCCNCC1)c1ccccc1 ZINC000417704157 533780945 /nfs/dbraw/zinc/78/09/45/533780945.db2.gz LXZXCGRBGPBWMG-HNNXBMFYSA-N 1 3 318.465 2.121 20 0 DEADHO C[C@H]([NH2+]CC1(CN2CCOCC2)CCCCC1)[C@H]1CCCCN1 ZINC000422853684 533831026 /nfs/dbraw/zinc/83/10/26/533831026.db2.gz SOXVSDQAIHDDDU-ZWKOTPCHSA-N 1 3 323.525 2.389 20 0 DEADHO C[C@H](NCC1(CN2CCOCC2)CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000422853684 533831030 /nfs/dbraw/zinc/83/10/30/533831030.db2.gz SOXVSDQAIHDDDU-ZWKOTPCHSA-N 1 3 323.525 2.389 20 0 DEADHO C[C@H](CCCC[NH3+])NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000417575902 533841311 /nfs/dbraw/zinc/84/13/11/533841311.db2.gz GOKRHMZLECDWBU-CVEARBPZSA-N 1 3 320.481 2.324 20 0 DEADHO C[C@H](CCCC[NH3+])NCc1ccncc1OC[C@@H]1CCOC1 ZINC000423118899 533847909 /nfs/dbraw/zinc/84/79/09/533847909.db2.gz CODMPBQDAJOQPG-HUUCEWRRSA-N 1 3 307.438 2.104 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)[C@H](C)O1 ZINC000296608182 533955276 /nfs/dbraw/zinc/95/52/76/533955276.db2.gz YZHBBRAGIDWGPZ-GJYPPUQNSA-N 1 3 317.477 2.090 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCOc1cccc(C(F)(F)F)n1 ZINC000423009827 534072715 /nfs/dbraw/zinc/07/27/15/534072715.db2.gz FACKNISYOAXICN-VXGBXAGGSA-N 1 3 317.355 2.457 20 0 DEADHO C[C@@H]1CCNC[C@@H]1[NH2+]C[C@H]1CSCCN1Cc1ccccc1 ZINC000423073774 534083697 /nfs/dbraw/zinc/08/36/97/534083697.db2.gz JRVHWPALNDGAFM-NJAFHUGGSA-N 1 3 319.518 2.192 20 0 DEADHO COC(=O)c1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000422999440 534148941 /nfs/dbraw/zinc/14/89/41/534148941.db2.gz FBQPKWDJEKSLLH-HIFRSBDPSA-N 1 3 306.406 2.089 20 0 DEADHO OC[C@H](CN[C@@H]1CCC[NH2+]CC1)Cc1c(F)cccc1Cl ZINC000422795603 534389918 /nfs/dbraw/zinc/38/99/18/534389918.db2.gz HVILMSABJUCGQJ-QWHCGFSZSA-N 1 3 314.832 2.362 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN(CC2CC2)CC2CC2)CC1 ZINC000115562635 519670863 /nfs/dbraw/zinc/67/08/63/519670863.db2.gz DVIBOUKMLAEABU-UHFFFAOYSA-N 1 3 307.482 2.097 20 0 DEADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000338458734 519863496 /nfs/dbraw/zinc/86/34/96/519863496.db2.gz RCUDCXAXGKBRNX-DLBZAZTESA-N 1 3 324.513 2.138 20 0 DEADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000338458734 519863497 /nfs/dbraw/zinc/86/34/97/519863497.db2.gz RCUDCXAXGKBRNX-DLBZAZTESA-N 1 3 324.513 2.138 20 0 DEADHO CCC[C@H](N)C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000246531159 521109594 /nfs/dbraw/zinc/10/95/94/521109594.db2.gz RTWXAFHWLNNHEB-INMHGKMJSA-N 1 3 317.477 2.387 20 0 DEADHO C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCN(C2CC2)C1)C1CCCCC1 ZINC000339445875 522018682 /nfs/dbraw/zinc/01/86/82/522018682.db2.gz SMZABLUKPZVBJF-WBVHZDCISA-N 1 3 322.497 2.033 20 0 DEADHO Cc1cccc(C[NH2+][C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C)c1 ZINC001368667507 1148562712 /nfs/dbraw/zinc/56/27/12/1148562712.db2.gz NZVYKYLGZVLGNO-FUHWJXTLSA-N 1 3 317.477 2.272 20 0 DEADHO C[NH+](C)[C@H](CNC(=O)N[C@H]1CCN(C2CC2)C1)C1CCCCC1 ZINC000339445871 522077518 /nfs/dbraw/zinc/07/75/18/522077518.db2.gz SMZABLUKPZVBJF-DOTOQJQBSA-N 1 3 322.497 2.033 20 0 DEADHO [NH3+]CC[C@H]1CCCN(CC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000443060422 534652840 /nfs/dbraw/zinc/65/28/40/534652840.db2.gz PGNJRMUNDPBNOF-CRAIPNDOSA-N 1 3 315.461 2.241 20 0 DEADHO [NH3+]CC[C@H]1CCCN([C@H]2CCCN(c3cccc(F)c3)C2=O)C1 ZINC000443073097 534654826 /nfs/dbraw/zinc/65/48/26/534654826.db2.gz OPZYVAHDTFWAJI-PBHICJAKSA-N 1 3 319.424 2.382 20 0 DEADHO O=C(C[C@H]1CCC[NH2+]1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000246501630 527165744 /nfs/dbraw/zinc/16/57/44/527165744.db2.gz PXAGZKLTDPLNOD-LSDHHAIUSA-N 1 3 321.490 2.218 20 0 DEADHO CC(C)(C(=O)NC[C@@]1(C)CCC[NH2+]C1)[C@@H](N)c1ccccc1 ZINC000417808042 527524724 /nfs/dbraw/zinc/52/47/24/527524724.db2.gz KVGAXWBOMLJDNL-YJBOKZPZSA-N 1 3 303.450 2.219 20 0 DEADHO CC1(CNC(=O)N2CCN(C3CCCCC3)CC2)CC[NH2+]CC1 ZINC000418521473 527949366 /nfs/dbraw/zinc/94/93/66/527949366.db2.gz RHAWKEASRQSOHW-UHFFFAOYSA-N 1 3 322.497 2.036 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)NC1CCC([NH3+])CC1 ZINC000418388148 528080475 /nfs/dbraw/zinc/08/04/75/528080475.db2.gz PRULTTFUXSIWEG-UHFFFAOYSA-N 1 3 310.486 2.164 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)NC[C@H]([NH3+])C(C)C ZINC000418408698 528085286 /nfs/dbraw/zinc/08/52/86/528085286.db2.gz NZFBCINAKHXXME-INIZCTEOSA-N 1 3 312.502 2.267 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000418317613 528143456 /nfs/dbraw/zinc/14/34/56/528143456.db2.gz MXMRGOBMHDMNBF-RHSMWYFYSA-N 1 3 318.465 2.109 20 0 DEADHO CCN(CCN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])c1cccc(C)c1 ZINC000422768960 528515174 /nfs/dbraw/zinc/51/51/74/528515174.db2.gz OHLULBIFIBDUNN-CGTJXYLNSA-N 1 3 305.466 2.163 20 0 DEADHO CCN(Cc1ccc(C(=O)N2CC[C@H]([NH2+]C)C2)cc1)C1CC1 ZINC000428430395 528773906 /nfs/dbraw/zinc/77/39/06/528773906.db2.gz MGJIZNUIARNUQW-INIZCTEOSA-N 1 3 301.434 2.105 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)NCCN2CCCC(C)(C)C2)CC1 ZINC000444891645 528996859 /nfs/dbraw/zinc/99/68/59/528996859.db2.gz XNGZCIGJTHHBAM-UHFFFAOYSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)N1CCOCC1 ZINC000422806577 529014604 /nfs/dbraw/zinc/01/46/04/529014604.db2.gz NRHDMXJRRAJYQL-HCXYKTFWSA-N 1 3 323.525 2.244 20 0 DEADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000448044430 529048131 /nfs/dbraw/zinc/04/81/31/529048131.db2.gz TXIZINYDFMFJKX-HOTGVXAUSA-N 1 3 324.513 2.138 20 0 DEADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000448044430 529048134 /nfs/dbraw/zinc/04/81/34/529048134.db2.gz TXIZINYDFMFJKX-HOTGVXAUSA-N 1 3 324.513 2.138 20 0 DEADHO CC[C@@H](NCC1CCN(CC(F)(F)F)CC1)[C@@H]1CCC[NH2+]1 ZINC000423066810 529159023 /nfs/dbraw/zinc/15/90/23/529159023.db2.gz YASZGCPTHWMYIF-KGLIPLIRSA-N 1 3 307.404 2.381 20 0 DEADHO CC[C@@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)[C@@H]1CCCN1 ZINC000423066810 529159026 /nfs/dbraw/zinc/15/90/26/529159026.db2.gz YASZGCPTHWMYIF-KGLIPLIRSA-N 1 3 307.404 2.381 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@H]([C@H](C)[NH3+])C1)c1ccco1 ZINC000418159335 529182497 /nfs/dbraw/zinc/18/24/97/529182497.db2.gz CEFJHIXOMUJOFU-ZQDZILKHSA-N 1 3 322.453 2.088 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)NCC1([NH3+])CCCCC1 ZINC000417697624 529272800 /nfs/dbraw/zinc/27/28/00/529272800.db2.gz ICEHHWTWZSVXKM-OAHLLOKOSA-N 1 3 310.486 2.212 20 0 DEADHO CC(C)N1CCN(C2CC[NH+](CCOC(C)(C)C)CC2)CC1 ZINC000371342583 535197169 /nfs/dbraw/zinc/19/71/69/535197169.db2.gz YPKSJVWXUIWLKN-UHFFFAOYSA-N 1 3 311.514 2.292 20 0 DEADHO CC(C)[C@@H]1C[N@H+](CCCN2CCN(C(C)C)CC2)CCS1 ZINC000191517962 535263482 /nfs/dbraw/zinc/26/34/82/535263482.db2.gz UVEMJPQLFRVYQA-KRWDZBQOSA-N 1 3 313.555 2.476 20 0 DEADHO CC(C)[C@@H]1C[N@@H+](CCCN2CCN(C(C)C)CC2)CCS1 ZINC000191517962 535263486 /nfs/dbraw/zinc/26/34/86/535263486.db2.gz UVEMJPQLFRVYQA-KRWDZBQOSA-N 1 3 313.555 2.476 20 0 DEADHO CC[NH+]1CCC(NC(=O)[C@H]2CCCCN2C2CCCC2)CC1 ZINC000449209403 535472635 /nfs/dbraw/zinc/47/26/35/535472635.db2.gz QMVNHNRVEYCIQZ-QGZVFWFLSA-N 1 3 307.482 2.384 20 0 DEADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000358865247 535519137 /nfs/dbraw/zinc/51/91/37/535519137.db2.gz MDVOAKXADYAVBY-PBHICJAKSA-N 1 3 323.456 2.495 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)Cc2cnccn2)[C@H](C)C1 ZINC000360856070 535525518 /nfs/dbraw/zinc/52/55/18/535525518.db2.gz GFTVYHWDDIADOO-NUJGCVRESA-N 1 3 320.481 2.134 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)Cc2cnccn2)[C@H](C)C1 ZINC000360856070 535525525 /nfs/dbraw/zinc/52/55/25/535525525.db2.gz GFTVYHWDDIADOO-NUJGCVRESA-N 1 3 320.481 2.134 20 0 DEADHO CCN1CCN(CCC[NH2+]Cc2ccc(C)cc2OC)CC1 ZINC000449220165 535698110 /nfs/dbraw/zinc/69/81/10/535698110.db2.gz PQZANFSGCFPRIV-UHFFFAOYSA-N 1 3 305.466 2.121 20 0 DEADHO CN1CC[C@@]2(CCN(C(=O)NCCCCCCC[NH+](C)C)C2)C1 ZINC000368303510 535826701 /nfs/dbraw/zinc/82/67/01/535826701.db2.gz FREMWMNJQGYQON-GOSISDBHSA-N 1 3 324.513 2.236 20 0 DEADHO CCc1cccc(Cl)c1CN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261919719 535889111 /nfs/dbraw/zinc/88/91/11/535889111.db2.gz KGGOLYGLEYGMJV-AWEZNQCLSA-N 1 3 323.868 2.189 20 0 DEADHO CC[C@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)[C@@H]1CCOC1 ZINC000359218379 535920682 /nfs/dbraw/zinc/92/06/82/535920682.db2.gz BJZFZIJFKKNKGO-QRVBRYPASA-N 1 3 318.461 2.158 20 0 DEADHO CN(C)C[C@H](NC(=O)c1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000261825666 535953610 /nfs/dbraw/zinc/95/36/10/535953610.db2.gz HPUOKHUYXXYYJI-SFHVURJKSA-N 1 3 309.413 2.323 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000371763387 536026977 /nfs/dbraw/zinc/02/69/77/536026977.db2.gz YLMAALMGHZYWQD-IRXDYDNUSA-N 1 3 301.434 2.105 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000371763387 536026980 /nfs/dbraw/zinc/02/69/80/536026980.db2.gz YLMAALMGHZYWQD-IRXDYDNUSA-N 1 3 301.434 2.105 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]([NH2+]CC1CC(F)(F)C1)C(C)C)N(C)C ZINC001378968016 1152511228 /nfs/dbraw/zinc/51/12/28/1152511228.db2.gz OXNOPIPNCTXPNQ-ZIAGYGMSSA-N 1 3 319.440 2.102 20 0 DEADHO CC[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC001425950074 1174530738 /nfs/dbraw/zinc/53/07/38/1174530738.db2.gz CVQUZCFWCLSJEW-GDBMZVCRSA-N 1 3 309.498 2.343 20 0 DEADHO CC1CC[NH+](CC[C@@H]2CCCN2CCCN2CCOCC2)CC1 ZINC001414037628 1152541804 /nfs/dbraw/zinc/54/18/04/1152541804.db2.gz RRDSNIYYEXDIFP-IBGZPJMESA-N 1 3 323.525 2.295 20 0 DEADHO CC1CCN(CC[C@@H]2CCC[N@@H+]2CCCN2CCOCC2)CC1 ZINC001414037628 1152541808 /nfs/dbraw/zinc/54/18/08/1152541808.db2.gz RRDSNIYYEXDIFP-IBGZPJMESA-N 1 3 323.525 2.295 20 0 DEADHO CC1CCN(CC[C@@H]2CCC[N@H+]2CCCN2CCOCC2)CC1 ZINC001414037628 1152541816 /nfs/dbraw/zinc/54/18/16/1152541816.db2.gz RRDSNIYYEXDIFP-IBGZPJMESA-N 1 3 323.525 2.295 20 0 DEADHO CC(C)N(C)CC(=O)N(C)[C@@H](C[NH2+]Cc1ccsc1)C1CC1 ZINC001379051821 1152548399 /nfs/dbraw/zinc/54/83/99/1152548399.db2.gz DIAMVUABEZSZOH-INIZCTEOSA-N 1 3 323.506 2.415 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001368774973 1148649987 /nfs/dbraw/zinc/64/99/87/1148649987.db2.gz RDDGKKAJKOVDOL-ZBFHGGJFSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001368792760 1148663603 /nfs/dbraw/zinc/66/36/03/1148663603.db2.gz AGMSPPGEMFGITI-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001368792760 1148663609 /nfs/dbraw/zinc/66/36/09/1148663609.db2.gz AGMSPPGEMFGITI-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H](CNCc1ccccc1F)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001379534581 1152638076 /nfs/dbraw/zinc/63/80/76/1152638076.db2.gz FEHYOMJMCAVYGQ-KKUMJFAQSA-N 1 3 321.440 2.150 20 0 DEADHO C[C@@H](CNCc1ccccc1F)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001379534581 1152638078 /nfs/dbraw/zinc/63/80/78/1152638078.db2.gz FEHYOMJMCAVYGQ-KKUMJFAQSA-N 1 3 321.440 2.150 20 0 DEADHO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C1CC[NH+](C)CC1 ZINC000820402004 607014910 /nfs/dbraw/zinc/01/49/10/607014910.db2.gz BHBJMPHNENJNBX-QWHCGFSZSA-N 1 3 314.437 2.248 20 0 DEADHO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C1CC[NH+](C)CC1 ZINC000820402004 607014912 /nfs/dbraw/zinc/01/49/12/607014912.db2.gz BHBJMPHNENJNBX-QWHCGFSZSA-N 1 3 314.437 2.248 20 0 DEADHO CC[N@@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001380472008 1152817951 /nfs/dbraw/zinc/81/79/51/1152817951.db2.gz ONUKSKDFAVDLHL-SFHVURJKSA-N 1 3 309.498 2.489 20 0 DEADHO CC[N@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001380472008 1152817953 /nfs/dbraw/zinc/81/79/53/1152817953.db2.gz ONUKSKDFAVDLHL-SFHVURJKSA-N 1 3 309.498 2.489 20 0 DEADHO CCCCN1CCC([NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000892687691 625380908 /nfs/dbraw/zinc/38/09/08/625380908.db2.gz QTGYKOPPYOEELU-HOTGVXAUSA-N 1 3 314.445 2.474 20 0 DEADHO COC(=O)c1c[nH]c(CNCC2=CC[N@H+](C)CC2)c1C1CC1 ZINC000893305620 625441540 /nfs/dbraw/zinc/44/15/40/625441540.db2.gz WMAUHLVARRSSTP-UHFFFAOYSA-N 1 3 303.406 2.030 20 0 DEADHO COC(=O)c1c[nH]c(CNCC2=CC[N@@H+](C)CC2)c1C1CC1 ZINC000893305620 625441545 /nfs/dbraw/zinc/44/15/45/625441545.db2.gz WMAUHLVARRSSTP-UHFFFAOYSA-N 1 3 303.406 2.030 20 0 DEADHO CC(C)[C@@H](NCC1CC[NH+](C)CC1)c1nnc2ccccn21 ZINC000893333471 625499497 /nfs/dbraw/zinc/49/94/97/625499497.db2.gz GQJGLKFJRFNSBI-MRXNPFEDSA-N 1 3 301.438 2.358 20 0 DEADHO CC(C)[C@H](NCC1CC[NH+](C)CC1)c1nnc2ccccn21 ZINC000893333470 625499557 /nfs/dbraw/zinc/49/95/57/625499557.db2.gz GQJGLKFJRFNSBI-INIZCTEOSA-N 1 3 301.438 2.358 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000925662871 625568292 /nfs/dbraw/zinc/56/82/92/625568292.db2.gz OBKQMHLLYJXCTG-IUOOZAAYSA-N 1 3 323.481 2.220 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCCC2)C1 ZINC000969794138 622924048 /nfs/dbraw/zinc/92/40/48/622924048.db2.gz VOAQNZJJJXCQFY-YJBOKZPZSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC001020590324 622927845 /nfs/dbraw/zinc/92/78/45/622927845.db2.gz SJAGTLRTCQRKQF-DJIMGWMZSA-N 1 3 319.493 2.145 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCC2CCCC2)C1)N(C)C ZINC000969844204 622946691 /nfs/dbraw/zinc/94/66/91/622946691.db2.gz FPZZQALHZXWBGI-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC000969947786 623013246 /nfs/dbraw/zinc/01/32/46/623013246.db2.gz HLAFBNVDANHPKE-FUHWJXTLSA-N 1 3 315.461 2.170 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000969949304 623015619 /nfs/dbraw/zinc/01/56/19/623015619.db2.gz QHNMRLJZEOBLPF-WMLDXEAASA-N 1 3 319.424 2.001 20 0 DEADHO CCN1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970325650 623403280 /nfs/dbraw/zinc/40/32/80/623403280.db2.gz IMIKIGCAMGXIKV-WMLDXEAASA-N 1 3 307.482 2.240 20 0 DEADHO CCN1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970325650 623403283 /nfs/dbraw/zinc/40/32/83/623403283.db2.gz IMIKIGCAMGXIKV-WMLDXEAASA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001024186087 625661048 /nfs/dbraw/zinc/66/10/48/625661048.db2.gz KUTFRARYYIROMA-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO CC1CCC(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)CC1 ZINC000970717823 623639887 /nfs/dbraw/zinc/63/98/87/623639887.db2.gz NSFBRBQEQHRQRJ-OFLPRAFFSA-N 1 3 307.482 2.099 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001024278139 625685748 /nfs/dbraw/zinc/68/57/48/625685748.db2.gz DLPVAUUFFNDGLZ-ZWKOTPCHSA-N 1 3 321.509 2.489 20 0 DEADHO C([C@@H]1CC[C@@H](C2CC2)O1)[NH+]1CCC(N2CCCOCC2)CC1 ZINC000931284040 625692630 /nfs/dbraw/zinc/69/26/30/625692630.db2.gz MKIHMOATQKKSKI-ROUUACIJSA-N 1 3 308.466 2.131 20 0 DEADHO CN(CCNC(=O)NC1(C[NH3+])CCCCC1)Cc1ccccc1 ZINC000891413330 624154433 /nfs/dbraw/zinc/15/44/33/624154433.db2.gz YJXLBUYNZNUMIN-UHFFFAOYSA-N 1 3 318.465 2.079 20 0 DEADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000891433869 624167876 /nfs/dbraw/zinc/16/78/76/624167876.db2.gz FONXEJDSHOKILS-LSDHHAIUSA-N 1 3 322.497 2.174 20 0 DEADHO CCC(CC)[NH2+]CCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000891474984 624211048 /nfs/dbraw/zinc/21/10/48/624211048.db2.gz AKTAFLVCWZKWFM-KRWDZBQOSA-N 1 3 320.481 2.367 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CC2CCCCC2)C1)C1CC1 ZINC000971676668 624500220 /nfs/dbraw/zinc/50/02/20/624500220.db2.gz GLNGGTADARLLMX-ROUUACIJSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC2CCCCC2)C1)C1CC1 ZINC000971676668 624500222 /nfs/dbraw/zinc/50/02/22/624500222.db2.gz GLNGGTADARLLMX-ROUUACIJSA-N 1 3 321.509 2.440 20 0 DEADHO CN(CC(=O)N1CC[C@H]([N@H+](C)CC2CCCC2)C1)C1CCC1 ZINC000971687934 624505208 /nfs/dbraw/zinc/50/52/08/624505208.db2.gz QGRXQXMSNCOODI-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO CN(CC(=O)N1CC[C@H]([N@@H+](C)CC2CCCC2)C1)C1CCC1 ZINC000971687934 624505209 /nfs/dbraw/zinc/50/52/09/624505209.db2.gz QGRXQXMSNCOODI-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO C[NH+](C)CCOC1CCN(Cc2cccc3[nH]c(=O)oc32)CC1 ZINC000892003803 624737617 /nfs/dbraw/zinc/73/76/17/624737617.db2.gz KSNYYLYNABTIPY-UHFFFAOYSA-N 1 3 319.405 2.076 20 0 DEADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc2c1OCO2 ZINC000926356703 624790009 /nfs/dbraw/zinc/79/00/09/624790009.db2.gz JDOASWNPQMWYRF-CQSZACIVSA-N 1 3 319.449 2.092 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CCc2cccs2)C1 ZINC001022712205 624864093 /nfs/dbraw/zinc/86/40/93/624864093.db2.gz MAWKAJAWFNJLKT-KFWWJZLASA-N 1 3 321.490 2.012 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCc2cccs2)C1)N(C)C ZINC000972354742 624938762 /nfs/dbraw/zinc/93/87/62/624938762.db2.gz OJKVDIWYWLAGJI-ZBFHGGJFSA-N 1 3 323.506 2.164 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCc2cccs2)C1)N(C)C ZINC000972354742 624938765 /nfs/dbraw/zinc/93/87/65/624938765.db2.gz OJKVDIWYWLAGJI-ZBFHGGJFSA-N 1 3 323.506 2.164 20 0 DEADHO C[N@H+]([C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)[C@@H]1CCc2ccccc21 ZINC000972432941 625077031 /nfs/dbraw/zinc/07/70/31/625077031.db2.gz JKQPOHAWBPVUEF-SJLPKXTDSA-N 1 3 324.428 2.172 20 0 DEADHO C[N@@H+]([C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)[C@@H]1CCc2ccccc21 ZINC000972432941 625077034 /nfs/dbraw/zinc/07/70/34/625077034.db2.gz JKQPOHAWBPVUEF-SJLPKXTDSA-N 1 3 324.428 2.172 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001023402896 625254472 /nfs/dbraw/zinc/25/44/72/625254472.db2.gz VUAZSRKVRDUREL-ROUUACIJSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001023402896 625254474 /nfs/dbraw/zinc/25/44/74/625254474.db2.gz VUAZSRKVRDUREL-ROUUACIJSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCCF)C1 ZINC001023404517 625256035 /nfs/dbraw/zinc/25/60/35/625256035.db2.gz UQFYABCTNIDOTN-HOTGVXAUSA-N 1 3 313.461 2.049 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCCF)C1 ZINC001023404517 625256038 /nfs/dbraw/zinc/25/60/38/625256038.db2.gz UQFYABCTNIDOTN-HOTGVXAUSA-N 1 3 313.461 2.049 20 0 DEADHO F[C@H]1CC2(CC[C@H]1[NH2+]CCCN1CCCCC1)OCCO2 ZINC000892461838 625722851 /nfs/dbraw/zinc/72/28/51/625722851.db2.gz JUDQJZVAZKUOKA-LSDHHAIUSA-N 1 3 300.418 2.086 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N1CC[C@H]2[C@@H]1CCCN2C)C(C)C ZINC000893370067 625765759 /nfs/dbraw/zinc/76/57/59/625765759.db2.gz IRBNPLFNTWSROX-IRXDYDNUSA-N 1 3 324.513 2.373 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCC2CC2)C1 ZINC000999144763 634493761 /nfs/dbraw/zinc/49/37/61/634493761.db2.gz NSONVIFMIPDRSM-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]([NH2+]CC2CC(C)(C)C2)C1)C1CCC1 ZINC000999381331 634575562 /nfs/dbraw/zinc/57/55/62/634575562.db2.gz ZAVGWFXZXWDECL-MRXNPFEDSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C)cc2)C1)N(C)C ZINC000999497929 634609813 /nfs/dbraw/zinc/60/98/13/634609813.db2.gz SQKCOVUJAUWIHS-ZWKOTPCHSA-N 1 3 317.477 2.416 20 0 DEADHO CCC[NH2+][C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001000210092 634794135 /nfs/dbraw/zinc/79/41/35/634794135.db2.gz QNLPVYLTOOPNLB-WMLDXEAASA-N 1 3 313.461 2.190 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccsc2)C1)N(C)C ZINC001000223980 634799180 /nfs/dbraw/zinc/79/91/80/634799180.db2.gz HATAIXLRDJEQLO-GJZGRUSLSA-N 1 3 309.479 2.169 20 0 DEADHO Cc1cnc(Cl)c(CN[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000921733871 634813556 /nfs/dbraw/zinc/81/35/56/634813556.db2.gz RGLYWDMTZZXUEZ-OAHLLOKOSA-N 1 3 322.884 2.302 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCC2CC2)C(C)(C)C1 ZINC000995800232 633119014 /nfs/dbraw/zinc/11/90/14/633119014.db2.gz WXFTULDJUYHCIK-DLBZAZTESA-N 1 3 321.509 2.486 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]CCC2CC2)C(C)(C)C1 ZINC000996300387 633232240 /nfs/dbraw/zinc/23/22/40/633232240.db2.gz LGAOOGQEOIYZHD-GOEBONIOSA-N 1 3 307.482 2.097 20 0 DEADHO C[NH+](C)Cc1ccc(C(=O)N2C[C@H](NCCF)C(C)(C)C2)cc1 ZINC000996414561 633256333 /nfs/dbraw/zinc/25/63/33/633256333.db2.gz OSMHCJCSCXLJDM-INIZCTEOSA-N 1 3 321.440 2.158 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974861569 633337093 /nfs/dbraw/zinc/33/70/93/633337093.db2.gz HOQLXWFSGKWWQR-IAGOWNOFSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974861569 633337097 /nfs/dbraw/zinc/33/70/97/633337097.db2.gz HOQLXWFSGKWWQR-IAGOWNOFSA-N 1 3 321.509 2.343 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]CC2CCCC2)CC1)C1CC1 ZINC000996678953 633347954 /nfs/dbraw/zinc/34/79/54/633347954.db2.gz OYEVJPDESXZEHV-QGZVFWFLSA-N 1 3 307.482 2.097 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](C[NH2+][C@H]2CCc3ccccc32)C1 ZINC001027091243 633431143 /nfs/dbraw/zinc/43/11/43/633431143.db2.gz IAJHZGGZWUVRHT-KSSFIOAISA-N 1 3 324.428 2.078 20 0 DEADHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001027217425 633500745 /nfs/dbraw/zinc/50/07/45/633500745.db2.gz KFCQUZSTTOIJJH-MRXNPFEDSA-N 1 3 319.493 2.101 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]CCC2CC2)CC1 ZINC000997367321 633717318 /nfs/dbraw/zinc/71/73/18/633717318.db2.gz ZGNQUQOLDQOMIT-QGZVFWFLSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C)C1(C(=O)N2CCC(C[NH2+]CC3CCCC3)CC2)CCC1 ZINC000997822861 634000487 /nfs/dbraw/zinc/00/04/87/634000487.db2.gz HBBANBVPLJQIMQ-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001027879877 634854003 /nfs/dbraw/zinc/85/40/03/634854003.db2.gz ZQOCOOKRRYGANQ-SJORKVTESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001027879877 634854005 /nfs/dbraw/zinc/85/40/05/634854005.db2.gz ZQOCOOKRRYGANQ-SJORKVTESA-N 1 3 309.498 2.486 20 0 DEADHO CN(C)CC1(C[NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)CCCC1 ZINC000893589192 634888424 /nfs/dbraw/zinc/88/84/24/634888424.db2.gz ZNANICNDYFFGGV-GJZGRUSLSA-N 1 3 314.445 2.332 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CC2CCC2)C1 ZINC000980485677 635017988 /nfs/dbraw/zinc/01/79/88/635017988.db2.gz KYNCBGCXEXGMBQ-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CC2CCC2)C1 ZINC000980485677 635017993 /nfs/dbraw/zinc/01/79/93/635017993.db2.gz KYNCBGCXEXGMBQ-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CC2CCC2)C1 ZINC000980485678 635018133 /nfs/dbraw/zinc/01/81/33/635018133.db2.gz KYNCBGCXEXGMBQ-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC2CCC2)C1 ZINC000980485678 635018137 /nfs/dbraw/zinc/01/81/37/635018137.db2.gz KYNCBGCXEXGMBQ-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]([NH2+][C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001000311572 635141778 /nfs/dbraw/zinc/14/17/78/635141778.db2.gz JLTBOIOKUXRLCR-ZBFHGGJFSA-N 1 3 312.417 2.294 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC001000312257 635142102 /nfs/dbraw/zinc/14/21/02/635142102.db2.gz NSVSRQOCGKPENE-QAPCUYQASA-N 1 3 324.428 2.220 20 0 DEADHO CC(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001000370238 635156785 /nfs/dbraw/zinc/15/67/85/635156785.db2.gz KCQOGHRZBSKVIC-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H]1C[C@@H](C[NH2+]CC2CCCCC2)CN1C(=O)CN1CCCC1 ZINC000980802374 635159972 /nfs/dbraw/zinc/15/99/72/635159972.db2.gz YLOHBCHSEKGIEE-WMZOPIPTSA-N 1 3 321.509 2.489 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](NCCF)C1 ZINC001000665470 635262816 /nfs/dbraw/zinc/26/28/16/635262816.db2.gz SODBUGKVZTWOPI-HOTGVXAUSA-N 1 3 313.461 2.191 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](NCCF)C1 ZINC001000665470 635262819 /nfs/dbraw/zinc/26/28/19/635262819.db2.gz SODBUGKVZTWOPI-HOTGVXAUSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCC1CC[NH+](CCCF)CC1 ZINC001001402943 635486945 /nfs/dbraw/zinc/48/69/45/635486945.db2.gz SYVSDBSMMKWOKU-INIZCTEOSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC000981812261 635666182 /nfs/dbraw/zinc/66/61/82/635666182.db2.gz LXDDDGDKXAYVGV-DOTOQJQBSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@H](C)C[N@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC000981812261 635666183 /nfs/dbraw/zinc/66/61/83/635666183.db2.gz LXDDDGDKXAYVGV-DOTOQJQBSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)CC[N@@H+]1CCCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000981815824 635667974 /nfs/dbraw/zinc/66/79/74/635667974.db2.gz CGJMXHQSZCNGSL-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)CC[N@H+]1CCCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000981815824 635667977 /nfs/dbraw/zinc/66/79/77/635667977.db2.gz CGJMXHQSZCNGSL-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C)C[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001002793602 635799114 /nfs/dbraw/zinc/79/91/14/635799114.db2.gz XFXUZDYZMCLPJX-RDJZCZTQSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@H+](CC1CCC1)C2)N(C)C ZINC000982018623 635816425 /nfs/dbraw/zinc/81/64/25/635816425.db2.gz GOHPUUVCNSPJQR-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](CC1CCC1)C2)N(C)C ZINC000982018623 635816430 /nfs/dbraw/zinc/81/64/30/635816430.db2.gz GOHPUUVCNSPJQR-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000261541154 635888033 /nfs/dbraw/zinc/88/80/33/635888033.db2.gz FRDIAYWYRGCVEV-CRAIPNDOSA-N 1 3 303.450 2.155 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CC(C)C)C2 ZINC000982163546 635890269 /nfs/dbraw/zinc/89/02/69/635890269.db2.gz FXIMSKAWCPFNMY-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC(C)C)C2 ZINC000982163546 635890273 /nfs/dbraw/zinc/89/02/73/635890273.db2.gz FXIMSKAWCPFNMY-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO Cc1cc([C@H](C)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cs1 ZINC000925849277 635946436 /nfs/dbraw/zinc/94/64/36/635946436.db2.gz OFSUBQNGHUAMHP-GXTWGEPZSA-N 1 3 308.447 2.392 20 0 DEADHO CC(C)[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)C3CCC3)C[C@@]2(C)C1 ZINC000982297895 635954905 /nfs/dbraw/zinc/95/49/05/635954905.db2.gz SBTCPJKVTLHNJN-HDICACEKSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)C3CCC3)C[C@@]2(C)C1 ZINC000982297895 635954907 /nfs/dbraw/zinc/95/49/07/635954907.db2.gz SBTCPJKVTLHNJN-HDICACEKSA-N 1 3 307.482 2.050 20 0 DEADHO CC[NH+](CC)CC1CCN(C[C@@H]2[C@@H](C(=O)OC)C2(F)F)CC1 ZINC000893940157 636070287 /nfs/dbraw/zinc/07/02/87/636070287.db2.gz JXBMUXNJIUNLCL-KGLIPLIRSA-N 1 3 318.408 2.095 20 0 DEADHO CC(C)[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982553527 636261363 /nfs/dbraw/zinc/26/13/63/636261363.db2.gz NBMSHIDONLZVGI-RYQLBKOJSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[N@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982553527 636261366 /nfs/dbraw/zinc/26/13/66/636261366.db2.gz NBMSHIDONLZVGI-RYQLBKOJSA-N 1 3 307.482 2.050 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC=C(C)C)C1 ZINC001028580424 636376234 /nfs/dbraw/zinc/37/62/34/636376234.db2.gz VZVUQLWOAQAGPA-SJORKVTESA-N 1 3 307.482 2.265 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001028580424 636376235 /nfs/dbraw/zinc/37/62/35/636376235.db2.gz VZVUQLWOAQAGPA-SJORKVTESA-N 1 3 307.482 2.265 20 0 DEADHO CCO[C@H](C[NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1)CN(C)C ZINC000922757025 636379628 /nfs/dbraw/zinc/37/96/28/636379628.db2.gz AHXCGKLUEKVNJH-QXAKKESOSA-N 1 3 319.493 2.206 20 0 DEADHO CCO[C@H](C[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)CN(C)C ZINC000922757023 636379811 /nfs/dbraw/zinc/37/98/11/636379811.db2.gz AHXCGKLUEKVNJH-BHIYHBOVSA-N 1 3 319.493 2.206 20 0 DEADHO C[C@H]([NH2+]CC1CC1)[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001004877209 636602742 /nfs/dbraw/zinc/60/27/42/636602742.db2.gz LNSPPVNCOPHQRX-YOEHRIQHSA-N 1 3 307.482 2.240 20 0 DEADHO Cc1cccc2c1[C@@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)CC2 ZINC000924965407 636692027 /nfs/dbraw/zinc/69/20/27/636692027.db2.gz OATFYTPUJKJTEC-SJORKVTESA-N 1 3 315.461 2.159 20 0 DEADHO Cc1cccc2c1[C@@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)CC2 ZINC000924965407 636692030 /nfs/dbraw/zinc/69/20/30/636692030.db2.gz OATFYTPUJKJTEC-SJORKVTESA-N 1 3 315.461 2.159 20 0 DEADHO CC(C)CCN1CCC([NH2+][C@@H](C)[C@@H](C)N2CCOCC2)CC1 ZINC000924973997 636730082 /nfs/dbraw/zinc/73/00/82/636730082.db2.gz QOLZCASAZMXDCL-DLBZAZTESA-N 1 3 311.514 2.196 20 0 DEADHO O[C@@H](CN1CCCC1)C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000747969269 636760411 /nfs/dbraw/zinc/76/04/11/636760411.db2.gz NQILAXDHBBLUHX-INIZCTEOSA-N 1 3 310.482 2.257 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001028844707 636784389 /nfs/dbraw/zinc/78/43/89/636784389.db2.gz ARVKHZTZJISXBV-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001028844707 636784396 /nfs/dbraw/zinc/78/43/96/636784396.db2.gz ARVKHZTZJISXBV-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC1(C)COC[C@@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000894316858 636823682 /nfs/dbraw/zinc/82/36/82/636823682.db2.gz IQADFDQVRYKAOW-SFHVURJKSA-N 1 3 318.461 2.158 20 0 DEADHO c1cc(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c2c(c1)OCCO2 ZINC000922943848 636873834 /nfs/dbraw/zinc/87/38/34/636873834.db2.gz CAZSPTJCLHTVNN-HOTGVXAUSA-N 1 3 302.418 2.217 20 0 DEADHO c1cc(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)c2c(c1)OCCO2 ZINC000922943848 636873838 /nfs/dbraw/zinc/87/38/38/636873838.db2.gz CAZSPTJCLHTVNN-HOTGVXAUSA-N 1 3 302.418 2.217 20 0 DEADHO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000923268952 637069319 /nfs/dbraw/zinc/06/93/19/637069319.db2.gz IBTYWFAFMLKGCS-KSZLIROESA-N 1 3 319.493 2.479 20 0 DEADHO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000923268952 637069323 /nfs/dbraw/zinc/06/93/23/637069323.db2.gz IBTYWFAFMLKGCS-KSZLIROESA-N 1 3 319.493 2.479 20 0 DEADHO [NH3+]C[C@@H]1CCCN(C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000923282798 637083798 /nfs/dbraw/zinc/08/37/98/637083798.db2.gz XXJBEPPCRZBFIT-GXTWGEPZSA-N 1 3 316.367 2.280 20 0 DEADHO CN(CCOc1ccc(Cl)cc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923297596 637099105 /nfs/dbraw/zinc/09/91/05/637099105.db2.gz KVGSCDPDFYRFNI-OAHLLOKOSA-N 1 3 310.825 2.029 20 0 DEADHO CN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(=O)NCc1cccs1 ZINC000923315311 637105918 /nfs/dbraw/zinc/10/59/18/637105918.db2.gz GYOLHDGJUMJYTG-GOOCMWNKSA-N 1 3 321.490 2.217 20 0 DEADHO CCOc1ccc(OC[C@H](O)CN2CCCC[C@H]2CC[NH3+])cc1 ZINC000923353196 637133703 /nfs/dbraw/zinc/13/37/03/637133703.db2.gz IBPMNDVCZLDANN-JKSUJKDBSA-N 1 3 322.449 2.028 20 0 DEADHO [NH3+]C[C@@H](NC[C@H](O)COc1ccc(F)cc1)C1CCCCC1 ZINC000923373759 637144718 /nfs/dbraw/zinc/14/47/18/637144718.db2.gz PPIQRAOFALUTBX-DOTOQJQBSA-N 1 3 310.413 2.063 20 0 DEADHO Fc1cncc(N2CCN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000923377647 637146678 /nfs/dbraw/zinc/14/66/78/637146678.db2.gz VTZBAKBFIXMQAN-ZXFUBFMLSA-N 1 3 318.440 2.263 20 0 DEADHO Cc1ccccc1OC[C@H](O)CN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000923382933 637149429 /nfs/dbraw/zinc/14/94/29/637149429.db2.gz NMSCADRDWURBGS-LTIDMASMSA-N 1 3 306.450 2.040 20 0 DEADHO Cc1ccccc1OC[C@H](O)CN1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000923385418 637154412 /nfs/dbraw/zinc/15/44/12/637154412.db2.gz AYVZGHPNTASRJZ-UAGQMJEPSA-N 1 3 306.450 2.184 20 0 DEADHO CCc1ccc([C@H](C)NC(=O)CN2CC[C@@H](CC[NH3+])C2)cc1 ZINC000923487185 637201731 /nfs/dbraw/zinc/20/17/31/637201731.db2.gz AMORQIYRTUKOKE-GOEBONIOSA-N 1 3 303.450 2.097 20 0 DEADHO COc1ccc(-c2noc([C@@H](C)N3CC[C@@H](CC[NH3+])C3)n2)cc1 ZINC000923485226 637205452 /nfs/dbraw/zinc/20/54/52/637205452.db2.gz QYMRBKNYAIVJMQ-CHWSQXEVSA-N 1 3 316.405 2.477 20 0 DEADHO CCC[C@@H](NC(=O)CN1CC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000923490823 637209357 /nfs/dbraw/zinc/20/93/57/637209357.db2.gz VWHMDDZHECRACT-NVXWUHKLSA-N 1 3 303.450 2.315 20 0 DEADHO C[C@H](C(=O)N1CCCCC1)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923506488 637221140 /nfs/dbraw/zinc/22/11/40/637221140.db2.gz JBEXENRQKWQYMP-SJORKVTESA-N 1 3 321.509 2.489 20 0 DEADHO CCOC(=O)c1ncc(CNCC[C@H]2CCC[N@H+](C)C2)s1 ZINC000894861902 637270381 /nfs/dbraw/zinc/27/03/81/637270381.db2.gz YHDJQNMKFKBLDC-GFCCVEGCSA-N 1 3 311.451 2.141 20 0 DEADHO CCOC(=O)c1ncc(CNCC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000894861902 637270382 /nfs/dbraw/zinc/27/03/82/637270382.db2.gz YHDJQNMKFKBLDC-GFCCVEGCSA-N 1 3 311.451 2.141 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cnc3ccccc3c2)CC1 ZINC000727466114 637953028 /nfs/dbraw/zinc/95/30/28/637953028.db2.gz WGOMHZXRCCHSIP-INIZCTEOSA-N 1 3 312.461 2.350 20 0 DEADHO COc1ccc([C@@H](NC(C)C)C(=O)NCC(C)(C)[NH+](C)C)cc1 ZINC000895588769 638098990 /nfs/dbraw/zinc/09/89/90/638098990.db2.gz PGFNVIVIWPAVDQ-MRXNPFEDSA-N 1 3 321.465 2.191 20 0 DEADHO C[C@H]1CNCC[C@@H]1[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000841063425 650419846 /nfs/dbraw/zinc/41/98/46/650419846.db2.gz JBLPAFMYWPUZEF-KXBFYZLASA-N 1 3 316.493 2.309 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3)C2)C1 ZINC000984803849 638693304 /nfs/dbraw/zinc/69/33/04/638693304.db2.gz KHXRWJRIMGMQRV-KBAYOESNSA-N 1 3 315.461 2.013 20 0 DEADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001029538726 639054352 /nfs/dbraw/zinc/05/43/52/639054352.db2.gz LRVPOJLPZBFXPL-CALCHBBNSA-N 1 3 307.482 2.190 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CCCCC2)C1 ZINC001029673891 639411250 /nfs/dbraw/zinc/41/12/50/639411250.db2.gz ANFSUJJWTOXOMB-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CCCCC2)C1 ZINC001029673891 639411253 /nfs/dbraw/zinc/41/12/53/639411253.db2.gz ANFSUJJWTOXOMB-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2ccsc2)C1 ZINC001029674670 639411513 /nfs/dbraw/zinc/41/15/13/639411513.db2.gz IDTSNOTZQVKILV-ZBFHGGJFSA-N 1 3 321.490 2.123 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccsc2)C1 ZINC001029674670 639411515 /nfs/dbraw/zinc/41/15/15/639411515.db2.gz IDTSNOTZQVKILV-ZBFHGGJFSA-N 1 3 321.490 2.123 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2ccsc2)C1 ZINC001029674667 639411982 /nfs/dbraw/zinc/41/19/82/639411982.db2.gz IDTSNOTZQVKILV-GDBMZVCRSA-N 1 3 321.490 2.123 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccsc2)C1 ZINC001029674667 639411985 /nfs/dbraw/zinc/41/19/85/639411985.db2.gz IDTSNOTZQVKILV-GDBMZVCRSA-N 1 3 321.490 2.123 20 0 DEADHO O=C([C@@H]1CCN1C1CCCC1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889821183 639598245 /nfs/dbraw/zinc/59/82/45/639598245.db2.gz HADFSYCORWGHHV-KRWDZBQOSA-N 1 3 305.466 2.136 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CCC2)C1 ZINC001029910611 639766803 /nfs/dbraw/zinc/76/68/03/639766803.db2.gz SNLKIBAJMDESCW-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CCC2)C1 ZINC001029910611 639766807 /nfs/dbraw/zinc/76/68/07/639766807.db2.gz SNLKIBAJMDESCW-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1[C@H]([NH2+]CC2CCCC2)CCN1C(=O)CN(C)C1CCC1 ZINC000986356444 639885339 /nfs/dbraw/zinc/88/53/39/639885339.db2.gz OZSPYAJUFWONAC-RHSMWYFYSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CN(C)C1CCC1 ZINC000986358028 639885747 /nfs/dbraw/zinc/88/57/47/639885747.db2.gz VWYBQWKQMACVLS-YOEHRIQHSA-N 1 3 321.509 2.486 20 0 DEADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@H]2C)cs1 ZINC000987531765 640213966 /nfs/dbraw/zinc/21/39/66/640213966.db2.gz OECXAVLNUXXKMA-GOEBONIOSA-N 1 3 321.490 2.231 20 0 DEADHO C[C@@H]1C[C@H](NCC2CCN(c3cc[nH+]cc3)CC2)c2ncnn21 ZINC000925300697 640738982 /nfs/dbraw/zinc/73/89/82/640738982.db2.gz OGHKFDXJUCXXPB-CJNGLKHVSA-N 1 3 312.421 2.185 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]C2CCNCC2)C1 ZINC000841030689 640851324 /nfs/dbraw/zinc/85/13/24/640851324.db2.gz UGRDIRNZGIIUHX-DGCLKSJQSA-N 1 3 304.381 2.085 20 0 DEADHO COCOc1ccc(OC)cc1C[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000766473436 640886261 /nfs/dbraw/zinc/88/62/61/640886261.db2.gz IMRWEQBTUHXKHK-UKRRQHHQSA-N 1 3 308.422 2.250 20 0 DEADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1cccc(-n2cnnn2)c1 ZINC000766474186 640886490 /nfs/dbraw/zinc/88/64/90/640886490.db2.gz SEAHFYAADZBURD-CWRNSKLLSA-N 1 3 314.437 2.186 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC2CCCC2)CN1C(=O)CN1CCC(C)CC1 ZINC000989606478 641168099 /nfs/dbraw/zinc/16/80/99/641168099.db2.gz RNVMGSHFWWHRHE-SJLPKXTDSA-N 1 3 321.509 2.488 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]CCC2CCCC2)CC1 ZINC000990278297 641432067 /nfs/dbraw/zinc/43/20/67/641432067.db2.gz PLPJJPJRFYLYIM-QGZVFWFLSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CCN1 ZINC000899019976 641901643 /nfs/dbraw/zinc/90/16/43/641901643.db2.gz APZXAWJHBBJGCF-KZNAEPCWSA-N 1 3 315.461 2.136 20 0 DEADHO CC(C)[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CCN1 ZINC000899019976 641901648 /nfs/dbraw/zinc/90/16/48/641901648.db2.gz APZXAWJHBBJGCF-KZNAEPCWSA-N 1 3 315.461 2.136 20 0 DEADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)C1 ZINC000924751767 641975513 /nfs/dbraw/zinc/97/55/13/641975513.db2.gz LKWPAPDLTBKLCP-KBAYOESNSA-N 1 3 304.482 2.453 20 0 DEADHO C[C@@H]1NCCn2c(-c3nc(C4C[C@H]5CC[C@@H](C4)[NH2+]5)no3)ccc21 ZINC000900016916 642237755 /nfs/dbraw/zinc/23/77/55/642237755.db2.gz SVJGBIZLVIYHAW-WODVXLOZSA-N 1 3 313.405 2.200 20 0 DEADHO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000900709428 642449105 /nfs/dbraw/zinc/44/91/05/642449105.db2.gz HTBQNQQANAZIRK-CQSZACIVSA-N 1 3 314.433 2.315 20 0 DEADHO COc1ccc2c(c1)C[C@H](C)C[C@H]2[NH2+]C[C@@H](O)CN1CCCC1 ZINC000902762342 643128429 /nfs/dbraw/zinc/12/84/29/643128429.db2.gz LWQOUBXEBLPUTM-ZSZQSSIHSA-N 1 3 318.461 2.365 20 0 DEADHO COc1ccc2c(c1)C[C@@H](C)C[C@H]2[NH2+]CC1(O)CCN(C)CC1 ZINC000902813827 643155446 /nfs/dbraw/zinc/15/54/46/643155446.db2.gz HYMPBDQQPVJSOF-RDTXWAMCSA-N 1 3 318.461 2.365 20 0 DEADHO CO[C@@H]1CCC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000903198265 643283187 /nfs/dbraw/zinc/28/31/87/643283187.db2.gz BTACFMFDUUHXMF-QZTJIDSGSA-N 1 3 303.450 2.451 20 0 DEADHO COC(=O)C1CCC(N[C@@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000903381454 643335153 /nfs/dbraw/zinc/33/51/53/643335153.db2.gz WZMRFYQRGWPCIY-PREGVCBESA-N 1 3 319.449 2.396 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC(C(=O)Nc2ccccc2)CC1 ZINC000903426726 643345425 /nfs/dbraw/zinc/34/54/25/643345425.db2.gz LWUACHSXYRUEMV-ZBFHGGJFSA-N 1 3 301.434 2.193 20 0 DEADHO C[C@@H]1CN(Cc2nc(-c3ccc(F)c(F)c3)no2)C[C@H]1CC[NH3+] ZINC000903498775 643365839 /nfs/dbraw/zinc/36/58/39/643365839.db2.gz DOPISMKJQPRCSD-ZYHUDNBSSA-N 1 3 322.359 2.432 20 0 DEADHO [NH3+]CCCOC1CCN(C[C@@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000903717327 643436943 /nfs/dbraw/zinc/43/69/43/643436943.db2.gz NMFDMFLLMUNZKS-KBPBESRZSA-N 1 3 324.387 2.316 20 0 DEADHO [NH3+]CCCOC1CCN(C[C@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000903717330 643437009 /nfs/dbraw/zinc/43/70/09/643437009.db2.gz NMFDMFLLMUNZKS-ZIAGYGMSSA-N 1 3 324.387 2.316 20 0 DEADHO CN(CCOc1cccc(Cl)c1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718434 643437741 /nfs/dbraw/zinc/43/77/41/643437741.db2.gz MLJFSNQTEMGGCV-IAGOWNOFSA-N 1 3 324.852 2.419 20 0 DEADHO CN(Cc1ccc2c(c1)OCO2)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717972 643438092 /nfs/dbraw/zinc/43/80/92/643438092.db2.gz GOLPZJAIPDBGSB-HNNXBMFYSA-N 1 3 318.417 2.006 20 0 DEADHO COc1ccc(CN(C)C[C@H]2C[C@]3(CC[NH2+]C3)CO2)cc1C ZINC000903727585 643440753 /nfs/dbraw/zinc/44/07/53/643440753.db2.gz VOKUOFYSNLIAND-AEFFLSMTSA-N 1 3 304.434 2.204 20 0 DEADHO Cc1cc(C)nc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000903760663 643452324 /nfs/dbraw/zinc/45/23/24/643452324.db2.gz JEIYMHPKIHNLTI-AEFFLSMTSA-N 1 3 303.450 2.417 20 0 DEADHO COc1ccccc1C1(NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903764645 643453571 /nfs/dbraw/zinc/45/35/71/643453571.db2.gz URUWCCCJHMLILE-OAHLLOKOSA-N 1 3 316.445 2.433 20 0 DEADHO Cc1cncc([C@@H]2CCCN2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)c1 ZINC000903781099 643460493 /nfs/dbraw/zinc/46/04/93/643460493.db2.gz NSMHFEWNUHUMRS-OKZBNKHCSA-N 1 3 301.434 2.296 20 0 DEADHO C[C@H](C(=O)N1CCCCCC1)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000903789188 643463814 /nfs/dbraw/zinc/46/38/14/643463814.db2.gz RLQORVIPXURGKM-OAHLLOKOSA-N 1 3 309.498 2.474 20 0 DEADHO CO[C@H](C[N@@H+]1CCNCCC12CCOCC2)c1ccccc1 ZINC000903818628 643471583 /nfs/dbraw/zinc/47/15/83/643471583.db2.gz QCQNHJLTSQTFMF-QGZVFWFLSA-N 1 3 304.434 2.219 20 0 DEADHO CO[C@H](C[N@H+]1CCNCCC12CCOCC2)c1ccccc1 ZINC000903818628 643471587 /nfs/dbraw/zinc/47/15/87/643471587.db2.gz QCQNHJLTSQTFMF-QGZVFWFLSA-N 1 3 304.434 2.219 20 0 DEADHO C[C@H](c1nccs1)N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903910598 643505701 /nfs/dbraw/zinc/50/57/01/643505701.db2.gz ONCLWXAVNZLYMJ-WZYMTQMTSA-N 1 3 320.506 2.352 20 0 DEADHO CCN1CCN(c2cccc(NC[C@@H]([NH3+])CC(F)F)c2)CC1 ZINC000903927903 643512457 /nfs/dbraw/zinc/51/24/57/643512457.db2.gz VCFJMGZXHCZGPS-ZDUSSCGKSA-N 1 3 312.408 2.223 20 0 DEADHO FC1(F)CCNC[C@H]1C[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000903954211 643528734 /nfs/dbraw/zinc/52/87/34/643528734.db2.gz AKQFWQGPKRUNAI-AWEZNQCLSA-N 1 3 306.360 2.207 20 0 DEADHO COC(=O)c1cccc2c1OCCN(C[C@H]1CC[NH2+][C@H](C)C1)C2 ZINC000904389512 643651674 /nfs/dbraw/zinc/65/16/74/643651674.db2.gz LTFOUEGXJOMLAQ-KGLIPLIRSA-N 1 3 318.417 2.056 20 0 DEADHO Cn1cc(CN2CCC3(CO[C@H](C[NH3+])C3)CC2)c(C(C)(C)C)n1 ZINC000904392512 643652563 /nfs/dbraw/zinc/65/25/63/643652563.db2.gz SCIUNHIJRWCRDE-HNNXBMFYSA-N 1 3 320.481 2.047 20 0 DEADHO COc1cc(C[NH2+]CC2(N)CC2)ccc1OCC(F)(F)F ZINC000904449047 643673832 /nfs/dbraw/zinc/67/38/32/643673832.db2.gz DYVHRGOEAQREKF-UHFFFAOYSA-N 1 3 304.312 2.217 20 0 DEADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC000905053654 643772975 /nfs/dbraw/zinc/77/29/75/643772975.db2.gz BVGYFLUESYGBHY-ZWKOTPCHSA-N 1 3 320.477 2.324 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@H](O)CC2(O)CCCCC2)C1 ZINC000905069446 643787193 /nfs/dbraw/zinc/78/71/93/643787193.db2.gz DUQOGEIAULKIGE-IAGOWNOFSA-N 1 3 312.498 2.143 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC[C@H](O)CC2(O)CCCCC2)C1 ZINC000905069446 643787194 /nfs/dbraw/zinc/78/71/94/643787194.db2.gz DUQOGEIAULKIGE-IAGOWNOFSA-N 1 3 312.498 2.143 20 0 DEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)CC[C@H](O)c2ccccc2)C1 ZINC000905157389 643801517 /nfs/dbraw/zinc/80/15/17/643801517.db2.gz ZUPHAOQQYQOQHK-RDGPPVDQSA-N 1 3 320.477 2.324 20 0 DEADHO CC1CCN(CCC[NH2+]C[C@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC000905890804 644074485 /nfs/dbraw/zinc/07/44/85/644074485.db2.gz VOAOBGMMQBYUAZ-RTBURBONSA-N 1 3 320.477 2.183 20 0 DEADHO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000907449290 644557055 /nfs/dbraw/zinc/55/70/55/644557055.db2.gz VWVCWQGUFSUBDU-UHFFFAOYSA-N 1 3 314.433 2.457 20 0 DEADHO CN(CC[N@@H+](C)C1CC1)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000907449290 644557058 /nfs/dbraw/zinc/55/70/58/644557058.db2.gz VWVCWQGUFSUBDU-UHFFFAOYSA-N 1 3 314.433 2.457 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N2CCN(C)C3(CCCCC3)C2)CC[N@@H+]1C ZINC000908570547 644910907 /nfs/dbraw/zinc/91/09/07/644910907.db2.gz HOIZKZSBUWZTHD-HOTGVXAUSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N2CCN(C)C3(CCCCC3)C2)CC[N@H+]1C ZINC000908570547 644910909 /nfs/dbraw/zinc/91/09/09/644910909.db2.gz HOIZKZSBUWZTHD-HOTGVXAUSA-N 1 3 307.482 2.194 20 0 DEADHO C[NH+](C)C[C@@H]1CCN(C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246627771 645508878 /nfs/dbraw/zinc/50/88/78/645508878.db2.gz HPHNRCAOZJJRRU-GJZGRUSLSA-N 1 3 311.470 2.127 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)NC[C@@H]2CCCCN2C)CC1 ZINC000911998643 645904095 /nfs/dbraw/zinc/90/40/95/645904095.db2.gz RCLSJVRPDARDPD-KRWDZBQOSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@H]1CCCN(CCNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000810141885 646330761 /nfs/dbraw/zinc/33/07/61/646330761.db2.gz OMOQLYUKPPEJPU-YOEHRIQHSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H]1CCCN(CCNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000810141885 646330764 /nfs/dbraw/zinc/33/07/64/646330764.db2.gz OMOQLYUKPPEJPU-YOEHRIQHSA-N 1 3 313.461 2.047 20 0 DEADHO CCC[N@H+](CC)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810466605 646366142 /nfs/dbraw/zinc/36/61/42/646366142.db2.gz VLIXFJREMAKELX-INIZCTEOSA-N 1 3 301.450 2.047 20 0 DEADHO CCC[N@@H+](CC)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810466605 646366145 /nfs/dbraw/zinc/36/61/45/646366145.db2.gz VLIXFJREMAKELX-INIZCTEOSA-N 1 3 301.450 2.047 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000811599429 646549289 /nfs/dbraw/zinc/54/92/89/646549289.db2.gz PRXKKUUPTZLARI-RHSMWYFYSA-N 1 3 315.477 2.436 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000811599429 646549294 /nfs/dbraw/zinc/54/92/94/646549294.db2.gz PRXKKUUPTZLARI-RHSMWYFYSA-N 1 3 315.477 2.436 20 0 DEADHO CC(C)[N@@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@H]12 ZINC000992014800 646828805 /nfs/dbraw/zinc/82/88/05/646828805.db2.gz SGCVRFYVYRJANO-JENIJYKNSA-N 1 3 319.493 2.382 20 0 DEADHO CC(C)[N@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@H]12 ZINC000992014800 646828809 /nfs/dbraw/zinc/82/88/09/646828809.db2.gz SGCVRFYVYRJANO-JENIJYKNSA-N 1 3 319.493 2.382 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CCN1C ZINC000914099248 647153615 /nfs/dbraw/zinc/15/36/15/647153615.db2.gz XISASYHFTLXQJY-ARFHVFGLSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CCN1C ZINC000914099248 647153618 /nfs/dbraw/zinc/15/36/18/647153618.db2.gz XISASYHFTLXQJY-ARFHVFGLSA-N 1 3 310.486 2.033 20 0 DEADHO CC(C)[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]21 ZINC000992714757 647194159 /nfs/dbraw/zinc/19/41/59/647194159.db2.gz RDLGWYWMNMNZFH-USXIJHARSA-N 1 3 307.482 2.096 20 0 DEADHO CN(C)C1(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CC4CC4)[C@@H]3C2)CCC1 ZINC000992724480 647196454 /nfs/dbraw/zinc/19/64/54/647196454.db2.gz WWQYJDWVJFGRTB-GVDBMIGSSA-N 1 3 319.493 2.097 20 0 DEADHO CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]21 ZINC000992819112 647277932 /nfs/dbraw/zinc/27/79/32/647277932.db2.gz RFBFITUAGGKKHP-IXDOHACOSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000817901437 647377125 /nfs/dbraw/zinc/37/71/25/647377125.db2.gz VPZQCZDMGBHVPP-OUJBWJOFSA-N 1 3 306.328 2.334 20 0 DEADHO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@H]1C ZINC000994481982 647967345 /nfs/dbraw/zinc/96/73/45/647967345.db2.gz CZPQHSGFUAQDCV-RHSMWYFYSA-N 1 3 303.450 2.351 20 0 DEADHO CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@H]1C ZINC000994481982 647967347 /nfs/dbraw/zinc/96/73/47/647967347.db2.gz CZPQHSGFUAQDCV-RHSMWYFYSA-N 1 3 303.450 2.351 20 0 DEADHO CC[N@H+](CCC1CCN(C(=O)CN2CCCC2)CC1)CC1CC1 ZINC000821528226 648078314 /nfs/dbraw/zinc/07/83/14/648078314.db2.gz QULGJYIZXMZLGM-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CC[N@@H+](CCC1CCN(C(=O)CN2CCCC2)CC1)CC1CC1 ZINC000821528226 648078322 /nfs/dbraw/zinc/07/83/22/648078322.db2.gz QULGJYIZXMZLGM-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO C[C@H]1C[N@H+](CCC2CC2)CC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942555681 649245720 /nfs/dbraw/zinc/24/57/20/649245720.db2.gz OHMWXEZANHTWEL-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1C[N@@H+](CCC2CC2)CC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942555681 649245723 /nfs/dbraw/zinc/24/57/23/649245723.db2.gz OHMWXEZANHTWEL-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO c1ccc2c(c1)n[nH]c2CNC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000733330988 649546188 /nfs/dbraw/zinc/54/61/88/649546188.db2.gz WMMXJBBBJBRLEC-OAHLLOKOSA-N 1 3 314.433 2.296 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)NCCCCCC[NH3+])CC1 ZINC000831256964 649561457 /nfs/dbraw/zinc/56/14/57/649561457.db2.gz NCZLAVKCSYMZMT-UHFFFAOYSA-N 1 3 312.502 2.269 20 0 DEADHO Cc1cc([C@H](N)CC(=O)NC[C@@H](C)[NH+]2CCCC2)cc(Cl)n1 ZINC000831822533 649647153 /nfs/dbraw/zinc/64/71/53/649647153.db2.gz IYLZFGXDBBTZLK-TZMCWYRMSA-N 1 3 324.856 2.034 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000844164153 651085199 /nfs/dbraw/zinc/08/51/99/651085199.db2.gz IDMMOCGAMIOUPH-KBPBESRZSA-N 1 3 301.434 2.297 20 0 DEADHO O=C(CCCC[NH+]1CCCC1)Nc1ccc2c(c1)CNCCO2 ZINC000844196304 651089931 /nfs/dbraw/zinc/08/99/31/651089931.db2.gz GRWSWFSLCWWNCD-UHFFFAOYSA-N 1 3 317.433 2.373 20 0 DEADHO CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@]2(O)CCN(C)C2)cc1 ZINC000849019221 651584830 /nfs/dbraw/zinc/58/48/30/651584830.db2.gz SQKITDJGKBUYRO-CXAGYDPISA-N 1 3 304.438 2.203 20 0 DEADHO CCCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(OC)cc1 ZINC000849027889 651588253 /nfs/dbraw/zinc/58/82/53/651588253.db2.gz PAEUYMYWUSTRTN-INIZCTEOSA-N 1 3 318.465 2.226 20 0 DEADHO CCCCn1cc(CNC(=[NH2+])NC[C@H]2CCCN2CC)c(C)n1 ZINC000849075547 651598324 /nfs/dbraw/zinc/59/83/24/651598324.db2.gz IFJSREUSHSSZDZ-MRXNPFEDSA-N 1 3 320.485 2.090 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=S)Nc1ccsc1 ZINC000849277320 651636403 /nfs/dbraw/zinc/63/64/03/651636403.db2.gz ZKBJSEYVWRWRHZ-LBPRGKRZSA-N 1 3 314.524 2.307 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=S)Nc1ccsc1 ZINC000849277320 651636405 /nfs/dbraw/zinc/63/64/05/651636405.db2.gz ZKBJSEYVWRWRHZ-LBPRGKRZSA-N 1 3 314.524 2.307 20 0 DEADHO CON(C)CCN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000850478851 651935976 /nfs/dbraw/zinc/93/59/76/651935976.db2.gz YRMJMADQWDXQTB-QGZVFWFLSA-N 1 3 303.450 2.266 20 0 DEADHO CON(C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000850478851 651935981 /nfs/dbraw/zinc/93/59/81/651935981.db2.gz YRMJMADQWDXQTB-QGZVFWFLSA-N 1 3 303.450 2.266 20 0 DEADHO [NH3+]CCOc1cccc(NC(=O)C[C@@H]2NCc3ccccc32)c1 ZINC000851631820 652192633 /nfs/dbraw/zinc/19/26/33/652192633.db2.gz XGZYZZCSSXXTNQ-KRWDZBQOSA-N 1 3 311.385 2.197 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000851631156 652192647 /nfs/dbraw/zinc/19/26/47/652192647.db2.gz XGNJKWZJVJBGJU-INMHGKMJSA-N 1 3 301.434 2.210 20 0 DEADHO C[N@@H+](C[C@H]1CCC(=O)O1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000851791639 652238304 /nfs/dbraw/zinc/23/83/04/652238304.db2.gz BSMILJMPMPZPLQ-IAGOWNOFSA-N 1 3 302.418 2.146 20 0 DEADHO C[N@H+](C[C@H]1CCC(=O)O1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000851791639 652238308 /nfs/dbraw/zinc/23/83/08/652238308.db2.gz BSMILJMPMPZPLQ-IAGOWNOFSA-N 1 3 302.418 2.146 20 0 DEADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000851834289 652253887 /nfs/dbraw/zinc/25/38/87/652253887.db2.gz PVFKJJIVXRDTBB-GBESFXJTSA-N 1 3 320.477 2.276 20 0 DEADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000851834289 652253888 /nfs/dbraw/zinc/25/38/88/652253888.db2.gz PVFKJJIVXRDTBB-GBESFXJTSA-N 1 3 320.477 2.276 20 0 DEADHO CN(C)C[C@@H](NC(=O)C=C1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000852885453 652474699 /nfs/dbraw/zinc/47/46/99/652474699.db2.gz QWAFAVHCDIIUOQ-MRXNPFEDSA-N 1 3 321.852 2.369 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(N2CCCNC2=O)cc1 ZINC000854231016 652662645 /nfs/dbraw/zinc/66/26/45/652662645.db2.gz HBOGONWPHBTXAD-RHSMWYFYSA-N 1 3 316.449 2.084 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccsc1)C1CC1)N(C)C ZINC001392793477 1157421530 /nfs/dbraw/zinc/42/15/30/1157421530.db2.gz NWPXWZNLMOQDLJ-CABCVRRESA-N 1 3 309.479 2.073 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCC2)CC1(C)C)N(C)C ZINC001393769500 1157962521 /nfs/dbraw/zinc/96/25/21/1157962521.db2.gz QNHUYTQEOUUODH-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001374834027 1158049256 /nfs/dbraw/zinc/04/92/56/1158049256.db2.gz PUDBKMJQAUIOBQ-WBVHZDCISA-N 1 3 305.466 2.176 20 0 DEADHO CCCN1CCC([NH2+]C[C@H](O)c2cc(OC)cc(OC)c2)CC1 ZINC000305157345 685279437 /nfs/dbraw/zinc/27/94/37/685279437.db2.gz WAGSNORGQRDTMA-SFHVURJKSA-N 1 3 322.449 2.201 20 0 DEADHO C[C@H]1Cc2ccccc2N1C(=O)CN(C)C1CCC([NH3+])CC1 ZINC000388896353 685430945 /nfs/dbraw/zinc/43/09/45/685430945.db2.gz AHTOADXLHNXIBR-JEYLPNPQSA-N 1 3 301.434 2.166 20 0 DEADHO C[C@H]1[C@H](NC(=O)c2ccc(Nc3ccncc3)cc2)CC[N@@H+]1C ZINC000928441176 693779432 /nfs/dbraw/zinc/77/94/32/693779432.db2.gz DBXOUYWCCCQBMN-SUMWQHHRSA-N 1 3 310.401 2.070 20 0 DEADHO C[C@H]1[C@H](NC(=O)c2ccc(Nc3ccncc3)cc2)CC[N@H+]1C ZINC000928441176 693779433 /nfs/dbraw/zinc/77/94/33/693779433.db2.gz DBXOUYWCCCQBMN-SUMWQHHRSA-N 1 3 310.401 2.070 20 0 DEADHO Cc1ccc([C@H](CNC(=O)N(C)C[C@H](C)[NH3+])N2CCCC2)cc1 ZINC000861568748 686146445 /nfs/dbraw/zinc/14/64/45/686146445.db2.gz ZSMTYBPQWYEVSN-RDJZCZTQSA-N 1 3 318.465 2.121 20 0 DEADHO C[C@@H]([NH3+])CN(C)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000861567106 686146637 /nfs/dbraw/zinc/14/66/37/686146637.db2.gz AUJGLLBBHDPETB-NVXWUHKLSA-N 1 3 318.465 2.030 20 0 DEADHO C[NH+](C)CCCNC[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000862264183 686268994 /nfs/dbraw/zinc/26/89/94/686268994.db2.gz HMLWMULLNBHBMT-GFCCVEGCSA-N 1 3 321.412 2.172 20 0 DEADHO Cc1c(CNC2CC[NH+](C3CCN(C)CC3)CC2)ccnc1F ZINC000862274262 686272107 /nfs/dbraw/zinc/27/21/07/686272107.db2.gz HEJBEBYHNGIRDV-UHFFFAOYSA-N 1 3 320.456 2.177 20 0 DEADHO CC[NH+](CC)CCOCCNCc1cnc(Cl)c(F)c1 ZINC000865527428 687247182 /nfs/dbraw/zinc/24/71/82/687247182.db2.gz MFPQNCOVZTWKQD-UHFFFAOYSA-N 1 3 303.809 2.322 20 0 DEADHO Cc1cc(C)nc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000930134680 694097312 /nfs/dbraw/zinc/09/73/12/694097312.db2.gz ADHZIHHPYISPQL-APWZRJJASA-N 1 3 316.493 2.156 20 0 DEADHO Cc1cc(C)nc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000930134680 694097316 /nfs/dbraw/zinc/09/73/16/694097316.db2.gz ADHZIHHPYISPQL-APWZRJJASA-N 1 3 316.493 2.156 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001015973763 687486592 /nfs/dbraw/zinc/48/65/92/687486592.db2.gz RQZNOCDLQWBSCR-SJORKVTESA-N 1 3 307.482 2.242 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001015973763 687486594 /nfs/dbraw/zinc/48/65/94/687486594.db2.gz RQZNOCDLQWBSCR-SJORKVTESA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H](F)CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001016333130 687594772 /nfs/dbraw/zinc/59/47/72/687594772.db2.gz TZTHTTTVDOPYJR-RHSMWYFYSA-N 1 3 321.440 2.300 20 0 DEADHO C[C@@H](F)CC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001016333130 687594775 /nfs/dbraw/zinc/59/47/75/687594775.db2.gz TZTHTTTVDOPYJR-RHSMWYFYSA-N 1 3 321.440 2.300 20 0 DEADHO CC(C)CC[NH+]1CCC2(C[C@H]2NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001016821044 687709781 /nfs/dbraw/zinc/70/97/81/687709781.db2.gz WXSKRSKRENYONV-DLBZAZTESA-N 1 3 321.509 2.345 20 0 DEADHO CN(CC(=O)N1CCC[C@@H](C[N@H+](C)CC2CC2)C1)C1CCC1 ZINC001017141793 687801851 /nfs/dbraw/zinc/80/18/51/687801851.db2.gz JBXJXOCRGHVHKP-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CN(CC(=O)N1CCC[C@@H](C[N@@H+](C)CC2CC2)C1)C1CCC1 ZINC001017141793 687801857 /nfs/dbraw/zinc/80/18/57/687801857.db2.gz JBXJXOCRGHVHKP-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1)c1ccccc1 ZINC001018971629 688264300 /nfs/dbraw/zinc/26/43/00/688264300.db2.gz LFVDJTQZPZSKOK-WBVHZDCISA-N 1 3 315.461 2.422 20 0 DEADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H](NCc2ccsc2)C1 ZINC001018989959 688266611 /nfs/dbraw/zinc/26/66/11/688266611.db2.gz AILLEQGQOFMTGZ-HOTGVXAUSA-N 1 3 321.490 2.313 20 0 DEADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H](NCc2ccsc2)C1 ZINC001018989959 688266616 /nfs/dbraw/zinc/26/66/16/688266616.db2.gz AILLEQGQOFMTGZ-HOTGVXAUSA-N 1 3 321.490 2.313 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001018999241 688267287 /nfs/dbraw/zinc/26/72/87/688267287.db2.gz LDOPVZHIABWKNY-IRXDYDNUSA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1)N(C)C ZINC001019033286 688273693 /nfs/dbraw/zinc/27/36/93/688273693.db2.gz HOBAVPCLUZHIBH-RRQGHBQHSA-N 1 3 321.440 2.417 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1)N(C)C ZINC001019394460 688345555 /nfs/dbraw/zinc/34/55/55/688345555.db2.gz HOBAVPCLUZHIBH-COXVUDFISA-N 1 3 321.440 2.417 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001019394878 688346454 /nfs/dbraw/zinc/34/64/54/688346454.db2.gz PFRWXKHDCJDIBY-HOTGVXAUSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2C)C1)N(C)C ZINC001019397093 688347014 /nfs/dbraw/zinc/34/70/14/688347014.db2.gz INACWZMFJYHOGN-IRXDYDNUSA-N 1 3 321.440 2.165 20 0 DEADHO COc1ccc2c(c1)C[C@H](C[N@@H+]1CCC[C@]3(CCN(C)C3)C1)O2 ZINC000930601375 694197911 /nfs/dbraw/zinc/19/79/11/694197911.db2.gz HEUFOJDZUKNSKC-IEBWSBKVSA-N 1 3 316.445 2.416 20 0 DEADHO COc1ccc2c(c1)C[C@H](C[N@H+]1CCC[C@]3(CCN(C)C3)C1)O2 ZINC000930601375 694197914 /nfs/dbraw/zinc/19/79/14/694197914.db2.gz HEUFOJDZUKNSKC-IEBWSBKVSA-N 1 3 316.445 2.416 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001029595164 688559477 /nfs/dbraw/zinc/55/94/77/688559477.db2.gz CHNZXNXRGKNNKR-LVYXFOGZSA-N 1 3 319.493 2.335 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001029595164 688559480 /nfs/dbraw/zinc/55/94/80/688559480.db2.gz CHNZXNXRGKNNKR-LVYXFOGZSA-N 1 3 319.493 2.335 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@H+](C)CC3CCC3)C2)CCC1 ZINC001029754385 688573116 /nfs/dbraw/zinc/57/31/16/688573116.db2.gz XJJHVKCKXKGTEC-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CCC3)C2)CCC1 ZINC001029754385 688573120 /nfs/dbraw/zinc/57/31/20/688573120.db2.gz XJJHVKCKXKGTEC-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CCc1ccc([C@H](CNC(=O)CC[NH2+]CC2CC2)N(C)C)cc1 ZINC000870853873 688667589 /nfs/dbraw/zinc/66/75/89/688667589.db2.gz GBYBEOZFVUCDLO-SFHVURJKSA-N 1 3 317.477 2.358 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000870959241 688695827 /nfs/dbraw/zinc/69/58/27/688695827.db2.gz ZKJZULZENKOFES-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)c2ccc3c(c2)CNC3)C1 ZINC000870992091 688706082 /nfs/dbraw/zinc/70/60/82/688706082.db2.gz ICPDVKQXCTYMCQ-GOSISDBHSA-N 1 3 301.434 2.127 20 0 DEADHO CC(C)[C@H](CNc1cc[nH+]cc1C1CC1)N1CCN(C)CC1 ZINC000872403774 688993366 /nfs/dbraw/zinc/99/33/66/688993366.db2.gz XUQWNRJGHQYFKH-SFHVURJKSA-N 1 3 302.466 2.065 20 0 DEADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC(C)(C)C1)C1CC1 ZINC001032446230 689153528 /nfs/dbraw/zinc/15/35/28/689153528.db2.gz YPVOZEFHRDVWHN-ULQDDVLXSA-N 1 3 319.493 2.048 20 0 DEADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CC(C)(C)C1)C1CC1 ZINC001032446230 689153529 /nfs/dbraw/zinc/15/35/29/689153529.db2.gz YPVOZEFHRDVWHN-ULQDDVLXSA-N 1 3 319.493 2.048 20 0 DEADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCC1)C1CC1 ZINC001032445741 689154069 /nfs/dbraw/zinc/15/40/69/689154069.db2.gz PCQHXKCONOAKGB-OKZBNKHCSA-N 1 3 319.493 2.192 20 0 DEADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCC1)C1CC1 ZINC001032445741 689154071 /nfs/dbraw/zinc/15/40/71/689154071.db2.gz PCQHXKCONOAKGB-OKZBNKHCSA-N 1 3 319.493 2.192 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1COc2cccc(Br)c2C1 ZINC000873273079 689199514 /nfs/dbraw/zinc/19/95/14/689199514.db2.gz YKDYAXLPNUFMAN-AXFHLTTASA-N 1 3 313.239 2.468 20 0 DEADHO C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCC2)C1 ZINC001032731469 689240306 /nfs/dbraw/zinc/24/03/06/689240306.db2.gz KHJMIFZPPLMHQG-SQNIBIBYSA-N 1 3 319.493 2.194 20 0 DEADHO C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCC2)C1 ZINC001032731469 689240309 /nfs/dbraw/zinc/24/03/09/689240309.db2.gz KHJMIFZPPLMHQG-SQNIBIBYSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001033070418 689376036 /nfs/dbraw/zinc/37/60/36/689376036.db2.gz QGQFLSAORQTNGE-DLBZAZTESA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033070418 689376041 /nfs/dbraw/zinc/37/60/41/689376041.db2.gz QGQFLSAORQTNGE-DLBZAZTESA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)N2CCCC2)C1 ZINC001033320268 689460738 /nfs/dbraw/zinc/46/07/38/689460738.db2.gz UDRPOPUMCHEMQX-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)N2CCCC2)C1 ZINC001033320268 689460741 /nfs/dbraw/zinc/46/07/41/689460741.db2.gz UDRPOPUMCHEMQX-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)[C@@H]2CC[N@H+](CC3=CCCCC3)C2)C1 ZINC001033421265 689494915 /nfs/dbraw/zinc/49/49/15/689494915.db2.gz WDVQNWLLSXIOHP-FUHWJXTLSA-N 1 3 319.493 2.361 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)[C@@H]2CC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001033421265 689494917 /nfs/dbraw/zinc/49/49/17/689494917.db2.gz WDVQNWLLSXIOHP-FUHWJXTLSA-N 1 3 319.493 2.361 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001033472040 689513220 /nfs/dbraw/zinc/51/32/20/689513220.db2.gz QYZBGHDJOWWQAN-DLBZAZTESA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001033472040 689513221 /nfs/dbraw/zinc/51/32/21/689513221.db2.gz QYZBGHDJOWWQAN-DLBZAZTESA-N 1 3 307.482 2.192 20 0 DEADHO CCCCN(C[C@H](O)[C@@H](C)O)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034198 694298725 /nfs/dbraw/zinc/29/87/25/694298725.db2.gz QCOCEIBIFZYIEW-HIFRSBDPSA-N 1 3 300.487 2.139 20 0 DEADHO CC[NH2+][C@H]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001034732774 689936331 /nfs/dbraw/zinc/93/63/31/689936331.db2.gz JKDCGIYBDYEKFH-ZQIUZPCESA-N 1 3 313.461 2.236 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(F)c1 ZINC001034885169 689977655 /nfs/dbraw/zinc/97/76/55/689977655.db2.gz PWLKYVOICGNEDG-IAGOWNOFSA-N 1 3 319.424 2.001 20 0 DEADHO C[C@H](COc1ccccc1)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000876976012 689987604 /nfs/dbraw/zinc/98/76/04/689987604.db2.gz LJEILLMRKAXVTE-OAHLLOKOSA-N 1 3 306.450 2.279 20 0 DEADHO C[C@@H](NC1CC[NH+](CC(C)(C)O)CC1)[C@@H](O)c1cccc(F)c1 ZINC000877083117 690014647 /nfs/dbraw/zinc/01/46/47/690014647.db2.gz IEVRMOYNVDDIDY-CXAGYDPISA-N 1 3 324.440 2.073 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CC1 ZINC001035070043 690025471 /nfs/dbraw/zinc/02/54/71/690025471.db2.gz GRRLFPVFFGSUKJ-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO CCO[C@H](CC[NH+](C)C)CNCc1ncc(C)c(OC)c1C ZINC000877158686 690033779 /nfs/dbraw/zinc/03/37/79/690033779.db2.gz KVDNTKBMLNMHFN-OAHLLOKOSA-N 1 3 309.454 2.153 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3C[C@@H]([NH3+])C3(C)C)C2)cc1 ZINC000877220740 690049028 /nfs/dbraw/zinc/04/90/28/690049028.db2.gz IKRHYWXWWRTIFL-GVDBMIGSSA-N 1 3 315.461 2.059 20 0 DEADHO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000877346005 690083574 /nfs/dbraw/zinc/08/35/74/690083574.db2.gz FOXXPAONAIWASL-RCCFBDPRSA-N 1 3 315.461 2.115 20 0 DEADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000877451492 690116588 /nfs/dbraw/zinc/11/65/88/690116588.db2.gz NJBCXWGACCFKIK-ZACQAIPSSA-N 1 3 315.461 2.408 20 0 DEADHO CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001036028734 690239746 /nfs/dbraw/zinc/23/97/46/690239746.db2.gz KYRPMFFMOZCTBC-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CN1CCCC[C@H]1CC[N@H+](C)C[C@@H](O)CC1(O)CCCCC1 ZINC000878134779 690320635 /nfs/dbraw/zinc/32/06/35/690320635.db2.gz GYBWURNSNBHBTH-IRXDYDNUSA-N 1 3 312.498 2.239 20 0 DEADHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@@H](O)CC1(O)CCCCC1 ZINC000878134779 690320638 /nfs/dbraw/zinc/32/06/38/690320638.db2.gz GYBWURNSNBHBTH-IRXDYDNUSA-N 1 3 312.498 2.239 20 0 DEADHO C[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)[C@@H]1C[NH2+]CC1CC1 ZINC001036577932 690389654 /nfs/dbraw/zinc/38/96/54/690389654.db2.gz PFPOHHPSPQSCFS-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)[C@H](O)CCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000878536142 690435247 /nfs/dbraw/zinc/43/52/47/690435247.db2.gz NUAZJUWWLQFDPK-CEXWTWQISA-N 1 3 302.462 2.457 20 0 DEADHO CC(C)[C@H](O)CCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000878536142 690435248 /nfs/dbraw/zinc/43/52/48/690435248.db2.gz NUAZJUWWLQFDPK-CEXWTWQISA-N 1 3 302.462 2.457 20 0 DEADHO CC(C)CCNC(=O)[C@@H](C)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248809 690602617 /nfs/dbraw/zinc/60/26/17/690602617.db2.gz UVVLXLBQFYQMDU-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CC1CC1 ZINC001037853152 690623866 /nfs/dbraw/zinc/62/38/66/690623866.db2.gz NTHPEAASJCFIES-HOTGVXAUSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CCC1CC1 ZINC001037856131 690624792 /nfs/dbraw/zinc/62/47/92/690624792.db2.gz YAMRQSVACFVUFT-SJORKVTESA-N 1 3 321.509 2.488 20 0 DEADHO CCC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1CC ZINC001037924703 690641166 /nfs/dbraw/zinc/64/11/66/690641166.db2.gz AWKHNSCIYUDTOH-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2CC2CC(C)(C)C2)CC[N@@H+]1C ZINC001038274439 690764934 /nfs/dbraw/zinc/76/49/34/690764934.db2.gz YNKGPOMGPCBRIE-YESZJQIVSA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2CC2CC(C)(C)C2)CC[N@H+]1C ZINC001038274439 690764938 /nfs/dbraw/zinc/76/49/38/690764938.db2.gz YNKGPOMGPCBRIE-YESZJQIVSA-N 1 3 321.509 2.343 20 0 DEADHO O=C(NC[C@H]1CCN1CCC1CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001038348137 690791134 /nfs/dbraw/zinc/79/11/34/690791134.db2.gz AKSQLTAJPAPXEF-QZTJIDSGSA-N 1 3 319.493 2.384 20 0 DEADHO O=C(NC[C@H]1CCN1CCC1CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001038348137 690791137 /nfs/dbraw/zinc/79/11/37/690791137.db2.gz AKSQLTAJPAPXEF-QZTJIDSGSA-N 1 3 319.493 2.384 20 0 DEADHO CC[C@@H](C)CN1CC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001038393663 690803821 /nfs/dbraw/zinc/80/38/21/690803821.db2.gz JAPYFFJFLPVCFS-CVEARBPZSA-N 1 3 307.482 2.099 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCN2CCC(C)C)C1 ZINC001038625148 690878691 /nfs/dbraw/zinc/87/86/91/690878691.db2.gz RGRQQHXZURQQCP-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CCN2CCC(C)C)C1 ZINC001038625148 690878693 /nfs/dbraw/zinc/87/86/93/690878693.db2.gz RGRQQHXZURQQCP-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001039132921 691029772 /nfs/dbraw/zinc/02/97/72/691029772.db2.gz CYURTYRPHXFPDU-MSOLQXFVSA-N 1 3 321.509 2.296 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001039132921 691029773 /nfs/dbraw/zinc/02/97/73/691029773.db2.gz CYURTYRPHXFPDU-MSOLQXFVSA-N 1 3 321.509 2.296 20 0 DEADHO CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC001039135927 691030943 /nfs/dbraw/zinc/03/09/43/691030943.db2.gz JEINNOAOXFNLFU-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC001039135927 691030945 /nfs/dbraw/zinc/03/09/45/691030945.db2.gz JEINNOAOXFNLFU-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039236569 691063712 /nfs/dbraw/zinc/06/37/12/691063712.db2.gz DOYZYRWUFWGTAF-RDJZCZTQSA-N 1 3 318.465 2.311 20 0 DEADHO CC(C)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039236569 691063713 /nfs/dbraw/zinc/06/37/13/691063713.db2.gz DOYZYRWUFWGTAF-RDJZCZTQSA-N 1 3 318.465 2.311 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001039240412 691064638 /nfs/dbraw/zinc/06/46/38/691064638.db2.gz WXWXPYROYQZSSM-NVXWUHKLSA-N 1 3 316.449 2.065 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001039240412 691064640 /nfs/dbraw/zinc/06/46/40/691064640.db2.gz WXWXPYROYQZSSM-NVXWUHKLSA-N 1 3 316.449 2.065 20 0 DEADHO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCCN1CC ZINC001039313801 691078985 /nfs/dbraw/zinc/07/89/85/691078985.db2.gz QAVNRJGVPZLPKI-HMQMGEFJSA-N 1 3 307.482 2.382 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[C@@H](C)C1 ZINC001039437630 691105596 /nfs/dbraw/zinc/10/55/96/691105596.db2.gz RQGZIAMMYAQKTR-KURKYZTESA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[C@@H](C)C1 ZINC001039437630 691105600 /nfs/dbraw/zinc/10/56/00/691105600.db2.gz RQGZIAMMYAQKTR-KURKYZTESA-N 1 3 321.509 2.440 20 0 DEADHO O=C(CN1CCCC1)N1CCC([NH+](CC2CC2)CC2CC2)CC1 ZINC001039490853 691118505 /nfs/dbraw/zinc/11/85/05/691118505.db2.gz CMNIMXNHZDSVBV-UHFFFAOYSA-N 1 3 319.493 2.195 20 0 DEADHO CCC1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000881626422 691134258 /nfs/dbraw/zinc/13/42/58/691134258.db2.gz MWTJCYXWQIWPGW-INIZCTEOSA-N 1 3 307.482 2.338 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCC1)N(C)C ZINC001039658457 691137006 /nfs/dbraw/zinc/13/70/06/691137006.db2.gz LCPFDRAUICIPRL-KSZLIROESA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCC1)N(C)C ZINC001039658457 691137008 /nfs/dbraw/zinc/13/70/08/691137008.db2.gz LCPFDRAUICIPRL-KSZLIROESA-N 1 3 321.509 2.438 20 0 DEADHO C[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CC2)CC1 ZINC001039891897 691160701 /nfs/dbraw/zinc/16/07/01/691160701.db2.gz OWEBVUJITVQJKD-HDICACEKSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039914592 691163253 /nfs/dbraw/zinc/16/32/53/691163253.db2.gz UTPMATDIXUCPQO-OWLYRPNTSA-N 1 3 319.493 2.050 20 0 DEADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039914592 691163257 /nfs/dbraw/zinc/16/32/57/691163257.db2.gz UTPMATDIXUCPQO-OWLYRPNTSA-N 1 3 319.493 2.050 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2)N(C)C ZINC001040380657 691239849 /nfs/dbraw/zinc/23/98/49/691239849.db2.gz SJPDOFMNSJMNCO-MJGOQNOKSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2)N(C)C ZINC001040380657 691239853 /nfs/dbraw/zinc/23/98/53/691239853.db2.gz SJPDOFMNSJMNCO-MJGOQNOKSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040421921 691245532 /nfs/dbraw/zinc/24/55/32/691245532.db2.gz IAJZHBPWGLERIO-YJBOKZPZSA-N 1 3 318.465 2.313 20 0 DEADHO CC[C@H](C)C[N@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040421921 691245535 /nfs/dbraw/zinc/24/55/35/691245535.db2.gz IAJZHBPWGLERIO-YJBOKZPZSA-N 1 3 318.465 2.313 20 0 DEADHO COc1ccccc1C[C@](C)(CO)NCC[C@H]1CCC[N@@H+]1C ZINC000931602062 694436663 /nfs/dbraw/zinc/43/66/63/694436663.db2.gz AULGMAUBBGZTOZ-SJLPKXTDSA-N 1 3 306.450 2.063 20 0 DEADHO COc1ccccc1C[C@](C)(CO)NCC[C@H]1CCC[N@H+]1C ZINC000931602062 694436666 /nfs/dbraw/zinc/43/66/66/694436666.db2.gz AULGMAUBBGZTOZ-SJLPKXTDSA-N 1 3 306.450 2.063 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC2(C1)CC[NH+](CC1CC1)CC2 ZINC001040848233 691292473 /nfs/dbraw/zinc/29/24/73/691292473.db2.gz GRLXAOQAEFOPRR-MRXNPFEDSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC2(C1)CC[NH+](CC1CC1)CC2 ZINC001040848231 691292873 /nfs/dbraw/zinc/29/28/73/691292873.db2.gz GRLXAOQAEFOPRR-INIZCTEOSA-N 1 3 319.493 2.195 20 0 DEADHO CC[C@H](C)C[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041358763 691366788 /nfs/dbraw/zinc/36/67/88/691366788.db2.gz QTUSOVCOSYYZPA-LPHOPBHVSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C)C[N@H+]1CC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041358763 691366792 /nfs/dbraw/zinc/36/67/92/691366792.db2.gz QTUSOVCOSYYZPA-LPHOPBHVSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041363453 691367669 /nfs/dbraw/zinc/36/76/69/691367669.db2.gz RQHBADCXTIURQC-SFHVURJKSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)C[N@H+]1CC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041363453 691367672 /nfs/dbraw/zinc/36/76/72/691367672.db2.gz RQHBADCXTIURQC-SFHVURJKSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001041379489 691369596 /nfs/dbraw/zinc/36/95/96/691369596.db2.gz QRMJBYMAGWJKAX-WMZOPIPTSA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001041379489 691369600 /nfs/dbraw/zinc/36/96/00/691369600.db2.gz QRMJBYMAGWJKAX-WMZOPIPTSA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)C[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001041757149 691425182 /nfs/dbraw/zinc/42/51/82/691425182.db2.gz PLHNPXQJNJWAHB-IBGZPJMESA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)C[N@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001041757149 691425185 /nfs/dbraw/zinc/42/51/85/691425185.db2.gz PLHNPXQJNJWAHB-IBGZPJMESA-N 1 3 321.509 2.299 20 0 DEADHO C[NH+](C)CCOc1ccc(CN[C@H]2CCCC23OCCO3)cc1 ZINC000883180013 691450590 /nfs/dbraw/zinc/45/05/90/691450590.db2.gz QDJUEWYRDIPWFM-KRWDZBQOSA-N 1 3 320.433 2.012 20 0 DEADHO CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC001042063271 691495033 /nfs/dbraw/zinc/49/50/33/691495033.db2.gz TYHUBKXGTPKPDD-JKSUJKDBSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC001042063271 691495034 /nfs/dbraw/zinc/49/50/34/691495034.db2.gz TYHUBKXGTPKPDD-JKSUJKDBSA-N 1 3 307.482 2.194 20 0 DEADHO C([C@@H]1CCC2(CCOCC2)CO1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000883430095 691507613 /nfs/dbraw/zinc/50/76/13/691507613.db2.gz NBNXYQPQALABQY-FGTMMUONSA-N 1 3 322.493 2.426 20 0 DEADHO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H](N)CC1CC1 ZINC000884183287 691676289 /nfs/dbraw/zinc/67/62/89/691676289.db2.gz IFUVZNZICXZUCP-OAHLLOKOSA-N 1 3 319.449 2.473 20 0 DEADHO COCC[C@@H](N)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000884185830 691676724 /nfs/dbraw/zinc/67/67/24/691676724.db2.gz IZIZWRRNUGILLF-RHSMWYFYSA-N 1 3 319.449 2.363 20 0 DEADHO COCC[C@@H](N)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000884185830 691676728 /nfs/dbraw/zinc/67/67/28/691676728.db2.gz IZIZWRRNUGILLF-RHSMWYFYSA-N 1 3 319.449 2.363 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC2CCC2)CCN1C(=O)CN(C)C1CCC1 ZINC001044628635 691861627 /nfs/dbraw/zinc/86/16/27/691861627.db2.gz IQCXIVUUJAUQQL-ZBFHGGJFSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]Cc2ccsc2)CCN1C(=O)CN1CCCC1 ZINC001044858499 691898359 /nfs/dbraw/zinc/89/83/59/691898359.db2.gz SNOUUKCPJKRUAX-HOCLYGCPSA-N 1 3 321.490 2.313 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1F ZINC001044960180 691920350 /nfs/dbraw/zinc/92/03/50/691920350.db2.gz YEWZSHQJAMUMGB-RDJZCZTQSA-N 1 3 319.424 2.001 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CC1 ZINC001045229039 691954715 /nfs/dbraw/zinc/95/47/15/691954715.db2.gz GRRLFPVFFGSUKJ-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1OC[C@]2(CC[C@H](CN[C@H]3CC[N@H+](C)C(C)(C)C3)O2)[C@H]1C ZINC000886336123 692060220 /nfs/dbraw/zinc/06/02/20/692060220.db2.gz MYEQVPNYXDLJEF-YXISZKLHSA-N 1 3 310.482 2.421 20 0 DEADHO C[C@@H]1OC[C@]2(CC[C@H](CN[C@H]3CC[N@@H+](C)C(C)(C)C3)O2)[C@H]1C ZINC000886336123 692060222 /nfs/dbraw/zinc/06/02/22/692060222.db2.gz MYEQVPNYXDLJEF-YXISZKLHSA-N 1 3 310.482 2.421 20 0 DEADHO CC(C)[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001045967630 692064121 /nfs/dbraw/zinc/06/41/21/692064121.db2.gz YXFYIRJFEULYEK-IEBWSBKVSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001045967630 692064124 /nfs/dbraw/zinc/06/41/24/692064124.db2.gz YXFYIRJFEULYEK-IEBWSBKVSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001045967154 692064567 /nfs/dbraw/zinc/06/45/67/692064567.db2.gz NXVMRFFOBCFRKB-PKOBYXMFSA-N 1 3 321.509 2.443 20 0 DEADHO CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001045967154 692064570 /nfs/dbraw/zinc/06/45/70/692064570.db2.gz NXVMRFFOBCFRKB-PKOBYXMFSA-N 1 3 321.509 2.443 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCC[C@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001045969804 692065095 /nfs/dbraw/zinc/06/50/95/692065095.db2.gz ZMKYUOKAFZOSMB-GOSISDBHSA-N 1 3 316.449 2.067 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCC[C@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001045969804 692065096 /nfs/dbraw/zinc/06/50/96/692065096.db2.gz ZMKYUOKAFZOSMB-GOSISDBHSA-N 1 3 316.449 2.067 20 0 DEADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1CC[C@@H]1COC(C)(C)O1 ZINC000887134510 692288292 /nfs/dbraw/zinc/28/82/92/692288292.db2.gz KYGPZJJOERXTRE-GOEBONIOSA-N 1 3 305.422 2.134 20 0 DEADHO C[C@@H]([NH2+]CC1CCC1)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001047975907 692526215 /nfs/dbraw/zinc/52/62/15/692526215.db2.gz PGFDYYFXUKAZGO-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CC1CCCC1 ZINC001048278241 692589768 /nfs/dbraw/zinc/58/97/68/692589768.db2.gz WRPCFSVDBANLLT-DOTOQJQBSA-N 1 3 321.509 2.345 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2C1 ZINC001049233673 692795210 /nfs/dbraw/zinc/79/52/10/692795210.db2.gz PBJWLERJKUHPLY-FGTMMUONSA-N 1 3 319.493 2.051 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCC3CC3)C[C@@H]2C1 ZINC001049233673 692795214 /nfs/dbraw/zinc/79/52/14/692795214.db2.gz PBJWLERJKUHPLY-FGTMMUONSA-N 1 3 319.493 2.051 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC ZINC001049505005 692904253 /nfs/dbraw/zinc/90/42/53/692904253.db2.gz LBUJKKMJYLVBAW-BRWVUGGUSA-N 1 3 307.482 2.336 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC ZINC001049505005 692904256 /nfs/dbraw/zinc/90/42/56/692904256.db2.gz LBUJKKMJYLVBAW-BRWVUGGUSA-N 1 3 307.482 2.336 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[C@H](C[NH2+]CC3CC3)CC2)C1 ZINC001050367682 693166807 /nfs/dbraw/zinc/16/68/07/693166807.db2.gz OJTSNHLMEIACOC-DJIMGWMZSA-N 1 3 307.482 2.003 20 0 DEADHO COCCCN1CCC([NH2+][C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000924913051 693201220 /nfs/dbraw/zinc/20/12/20/693201220.db2.gz UDWSQRYTBNDWRH-ROUUACIJSA-N 1 3 309.498 2.094 20 0 DEADHO CCC[NH+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001050661089 693226829 /nfs/dbraw/zinc/22/68/29/693226829.db2.gz OTEKFTAVYGVAQO-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO C(C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)COC[C@@H]1CCOC1 ZINC000925523886 693288278 /nfs/dbraw/zinc/28/82/78/693288278.db2.gz VXWFAVGQNJTBDK-CGTJXYLNSA-N 1 3 310.482 2.188 20 0 DEADHO FC(F)(F)CN1CC[C@H](N[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925533609 693290590 /nfs/dbraw/zinc/29/05/90/693290590.db2.gz CNVMRWDWPDBKDG-RRFJBIMHSA-N 1 3 319.415 2.381 20 0 DEADHO CC1(C)C[C@@H]([NH3+])C[C@H](NCc2cccc(CS(C)(=O)=O)c2)C1 ZINC000925546674 693294137 /nfs/dbraw/zinc/29/41/37/693294137.db2.gz MHIMTBAJDFIFLW-HOTGVXAUSA-N 1 3 324.490 2.227 20 0 DEADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000925552471 693295270 /nfs/dbraw/zinc/29/52/70/693295270.db2.gz XAKUTBOQPRYKMG-RDBSUJKOSA-N 1 3 319.415 2.379 20 0 DEADHO CC(C)(C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)C(=O)N1CCCC1 ZINC000925720173 693329499 /nfs/dbraw/zinc/32/94/99/693329499.db2.gz XLERERHUQMZLSA-IAGOWNOFSA-N 1 3 321.509 2.393 20 0 DEADHO c1ccc2c(c1)CN[C@H](CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)C2 ZINC000925732284 693331701 /nfs/dbraw/zinc/33/17/01/693331701.db2.gz XPAMLSFUBFREKS-ZCNNSNEGSA-N 1 3 313.489 2.459 20 0 DEADHO C[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccccc1-n1ccnn1 ZINC000925779326 693340888 /nfs/dbraw/zinc/34/08/88/693340888.db2.gz XBKULCNBEHNKEQ-CHWSQXEVSA-N 1 3 321.375 2.163 20 0 DEADHO Cc1nc(C)c([C@@H](C)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)s1 ZINC000925853651 693354158 /nfs/dbraw/zinc/35/41/58/693354158.db2.gz JVPVVSOJQYUPLX-MFKMUULPSA-N 1 3 323.462 2.096 20 0 DEADHO C[C@@H]1CN(CCC[NH2+][C@H]2CCCN3CCCC[C@H]23)CCCO1 ZINC000926288421 693429278 /nfs/dbraw/zinc/42/92/78/693429278.db2.gz VGVGZBSSYIBEFN-FGTMMUONSA-N 1 3 309.498 2.094 20 0 DEADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccnn1C1CCC1 ZINC000926357256 693436360 /nfs/dbraw/zinc/43/63/60/693436360.db2.gz NVKAPTSTGWWFGL-OAHLLOKOSA-N 1 3 319.497 2.285 20 0 DEADHO OC[C@H]1C[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000927146823 693560380 /nfs/dbraw/zinc/56/03/80/693560380.db2.gz ZBUJPMXVOVESPY-VMXHOPILSA-N 1 3 300.446 2.400 20 0 DEADHO CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001052703120 693599511 /nfs/dbraw/zinc/59/95/11/693599511.db2.gz QKBPKCAAKCZXOI-IAGOWNOFSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001052703120 693599513 /nfs/dbraw/zinc/59/95/13/693599513.db2.gz QKBPKCAAKCZXOI-IAGOWNOFSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21 ZINC000932416349 694609923 /nfs/dbraw/zinc/60/99/23/694609923.db2.gz OKDHKIBTMVJKSL-SJLPKXTDSA-N 1 3 315.461 2.379 20 0 DEADHO CC[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(F)cc1)N(C)C ZINC001402645029 1162424745 /nfs/dbraw/zinc/42/47/45/1162424745.db2.gz QDLQLNRLAYPAFL-QGZVFWFLSA-N 1 3 323.456 2.446 20 0 DEADHO CC[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccc(F)cc1)N(C)C ZINC001402645029 1162424748 /nfs/dbraw/zinc/42/47/48/1162424748.db2.gz QDLQLNRLAYPAFL-QGZVFWFLSA-N 1 3 323.456 2.446 20 0 DEADHO OCC1(C[C@@H](O)CNCCC[NH+]2CCCCCC2)CCCC1 ZINC001353245332 1151819684 /nfs/dbraw/zinc/81/96/84/1151819684.db2.gz GGSSQQWCABBLDM-QGZVFWFLSA-N 1 3 312.498 2.146 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2CC[C@@H](C[NH2+]CC3CCC3)C2)CCC1 ZINC001379689963 1152673829 /nfs/dbraw/zinc/67/38/29/1152673829.db2.gz XAZVYRSPSDITDR-CVEARBPZSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H](C[NH2+]Cc2ccsc2)C2CC2)C1 ZINC001379896342 1152710241 /nfs/dbraw/zinc/71/02/41/1152710241.db2.gz KWINFCHGOQQDPO-CZUORRHYSA-N 1 3 321.490 2.074 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C[NH2+]CC1CCC1)C1CCCC1)N(C)C ZINC001380323493 1152788817 /nfs/dbraw/zinc/78/88/17/1152788817.db2.gz LNRJDWBCIDUDBT-DLBZAZTESA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]([NH2+]CCC1CCCC1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001380679134 1152843036 /nfs/dbraw/zinc/84/30/36/1152843036.db2.gz XSRGZOSNUDYKQV-SJLPKXTDSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H](CC[NH+](C)C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001362214714 1152852359 /nfs/dbraw/zinc/85/23/59/1152852359.db2.gz HILYRUYMNLIGCH-WMZOPIPTSA-N 1 3 317.477 2.355 20 0 DEADHO C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)NCc1cncs1 ZINC001381394670 1153037504 /nfs/dbraw/zinc/03/75/04/1153037504.db2.gz DRGVTXGOCSYNAF-QWHCGFSZSA-N 1 3 324.494 2.000 20 0 DEADHO Cc1cccc(CN(C)[C@@H](C)CNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001381572516 1153134606 /nfs/dbraw/zinc/13/46/06/1153134606.db2.gz KJWIGQKTHAELEQ-INIZCTEOSA-N 1 3 317.477 2.273 20 0 DEADHO C[C@H](NC(=O)CN1CC[C@@H](C)C1)C1C[NH+](CC2CCCCC2)C1 ZINC001381818119 1153237197 /nfs/dbraw/zinc/23/71/97/1153237197.db2.gz DRSYJJYMZBJUQH-CVEARBPZSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001402925623 1162544055 /nfs/dbraw/zinc/54/40/55/1162544055.db2.gz UTNGSSANLVBRRA-CMPLNLGQSA-N 1 3 317.886 2.336 20 0 DEADHO Cc1cccc(C[NH2+][C@H](C)CN(C)C(=O)CN2CC[C@@H](C)C2)c1 ZINC001382129695 1153369620 /nfs/dbraw/zinc/36/96/20/1153369620.db2.gz VURTVGNYPVJENU-IAGOWNOFSA-N 1 3 317.477 2.273 20 0 DEADHO CC[C@@H](F)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC001382364966 1153437139 /nfs/dbraw/zinc/43/71/39/1153437139.db2.gz SUTBJNRJTZMVIZ-ZIAGYGMSSA-N 1 3 313.461 2.045 20 0 DEADHO CC[NH+]1CCC([C@@H](C)NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001382562981 1153471984 /nfs/dbraw/zinc/47/19/84/1153471984.db2.gz VMMAPSZYVIUVIW-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](C(=O)N1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@H]1C)[NH+](C)C ZINC001363768363 1153618096 /nfs/dbraw/zinc/61/80/96/1153618096.db2.gz DAFVACGXLSLXPA-MWDXBVQZSA-N 1 3 317.477 2.446 20 0 DEADHO COc1cccnc1CNC1CCC(C)([NH+]2CCOCC2)CC1 ZINC001363916636 1153719824 /nfs/dbraw/zinc/71/98/24/1153719824.db2.gz MUEHRVDXSBXORA-UHFFFAOYSA-N 1 3 319.449 2.213 20 0 DEADHO C[C@@H](F)CC[NH2+]CC(C)(C)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001570682838 1155004716 /nfs/dbraw/zinc/00/47/16/1155004716.db2.gz FMTVEMSJQWKVDV-LSDHHAIUSA-N 1 3 315.477 2.151 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1csc(C)c1)C1CC1)N(C)C ZINC001389701913 1155399020 /nfs/dbraw/zinc/39/90/20/1155399020.db2.gz WRDXEUHKCBNTAP-HOTGVXAUSA-N 1 3 323.506 2.381 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@H+](CCCF)CC[C@H]21 ZINC001389954110 1155481841 /nfs/dbraw/zinc/48/18/41/1155481841.db2.gz NMLHHNWPECJGIO-JKSUJKDBSA-N 1 3 313.461 2.001 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@@H+](CCCF)CC[C@H]21 ZINC001389954110 1155481842 /nfs/dbraw/zinc/48/18/42/1155481842.db2.gz NMLHHNWPECJGIO-JKSUJKDBSA-N 1 3 313.461 2.001 20 0 DEADHO Cc1ccc(C)c(C[NH2+][C@@H](C)CNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001371366039 1155834856 /nfs/dbraw/zinc/83/48/56/1155834856.db2.gz UJSMBYKURXRJSN-WBVHZDCISA-N 1 3 317.477 2.240 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC001371428461 1155851078 /nfs/dbraw/zinc/85/10/78/1155851078.db2.gz MPTAMPLOPGYLBH-RHSMWYFYSA-N 1 3 303.450 2.110 20 0 DEADHO C[NH+](C)CCC(=O)N1CC[C@H](NCc2ccc(Cl)s2)C1 ZINC001371531068 1155867483 /nfs/dbraw/zinc/86/74/83/1155867483.db2.gz OSRYWCJGWUDTOT-NSHDSACASA-N 1 3 315.870 2.044 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001391117797 1156134396 /nfs/dbraw/zinc/13/43/96/1156134396.db2.gz NEFNJISZBAVBOZ-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001391117797 1156134409 /nfs/dbraw/zinc/13/44/09/1156134409.db2.gz NEFNJISZBAVBOZ-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1cccc(Cl)c1 ZINC001372478324 1156452364 /nfs/dbraw/zinc/45/23/64/1156452364.db2.gz VOJCKIYQBKKGAF-HNNXBMFYSA-N 1 3 323.868 2.230 20 0 DEADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1cccc(Cl)c1 ZINC001372478324 1156452382 /nfs/dbraw/zinc/45/23/82/1156452382.db2.gz VOJCKIYQBKKGAF-HNNXBMFYSA-N 1 3 323.868 2.230 20 0 DEADHO Cc1cccc([C@@H](C)N2CC(CNC(=O)CCC[NH+](C)C)C2)c1 ZINC001391494800 1156466472 /nfs/dbraw/zinc/46/64/72/1156466472.db2.gz DQJOWZMNRNDFHC-MRXNPFEDSA-N 1 3 317.477 2.446 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1)N(C)C ZINC001372627562 1156617034 /nfs/dbraw/zinc/61/70/34/1156617034.db2.gz OIXJGFLCZJPHNM-QZTJIDSGSA-N 1 3 317.477 2.273 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1)N(C)C ZINC001372627562 1156617038 /nfs/dbraw/zinc/61/70/38/1156617038.db2.gz OIXJGFLCZJPHNM-QZTJIDSGSA-N 1 3 317.477 2.273 20 0 DEADHO C[NH+](C)CCCC(=O)NC[C@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001372651566 1156642510 /nfs/dbraw/zinc/64/25/10/1156642510.db2.gz HLYACRMDIPOLOT-MRXNPFEDSA-N 1 3 321.440 2.106 20 0 DEADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccccc1 ZINC001391721018 1156738133 /nfs/dbraw/zinc/73/81/33/1156738133.db2.gz OEKUDMWIOOMKDF-DOTOQJQBSA-N 1 3 303.450 2.013 20 0 DEADHO CC[C@H](F)CNCc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001391838837 1156813692 /nfs/dbraw/zinc/81/36/92/1156813692.db2.gz TYTRRONRIVAEOM-SJORKVTESA-N 1 3 321.440 2.092 20 0 DEADHO CC[C@H](F)CNCc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001391838837 1156813693 /nfs/dbraw/zinc/81/36/93/1156813693.db2.gz TYTRRONRIVAEOM-SJORKVTESA-N 1 3 321.440 2.092 20 0 DEADHO CC[C@@H](C(=O)N1CCC([C@@H](C)[NH2+]C/C=C/Cl)CC1)N(C)C ZINC001372993460 1156834127 /nfs/dbraw/zinc/83/41/27/1156834127.db2.gz JAYPWDSFGFPKSK-CXGCFGFRSA-N 1 3 315.889 2.296 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]Cc1cccc(F)c1 ZINC001391930016 1156835866 /nfs/dbraw/zinc/83/58/66/1156835866.db2.gz GVQQCQYOEOJKNE-CABCVRRESA-N 1 3 321.440 2.009 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]([NH2+]CC1CC1)c1ccccc1 ZINC001373043566 1156845283 /nfs/dbraw/zinc/84/52/83/1156845283.db2.gz IYCQSJRSHPBARG-KRWDZBQOSA-N 1 3 303.450 2.184 20 0 DEADHO Cc1ccc(F)c(CNC[C@@H](C)N(C)C(=O)CC[NH+](C)C)c1 ZINC001392123914 1156872228 /nfs/dbraw/zinc/87/22/28/1156872228.db2.gz TXIBCBHDDCGDHK-CQSZACIVSA-N 1 3 309.429 2.022 20 0 DEADHO CC(C)C[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001373290849 1156935826 /nfs/dbraw/zinc/93/58/26/1156935826.db2.gz GQCZUCMTQUDWGW-INIZCTEOSA-N 1 3 311.514 2.401 20 0 DEADHO CC(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001373290849 1156935842 /nfs/dbraw/zinc/93/58/42/1156935842.db2.gz GQCZUCMTQUDWGW-INIZCTEOSA-N 1 3 311.514 2.401 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C1C[NH+](CCC2CCCC2)C1 ZINC001403344928 1162857205 /nfs/dbraw/zinc/85/72/05/1162857205.db2.gz DYFXMBSIQKOGCG-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[NH2+]C[C@@H](NC(=O)c1cccc(CN(C)C)c1)C1CC1 ZINC001392800461 1157425177 /nfs/dbraw/zinc/42/51/77/1157425177.db2.gz LVVLEEUMRSVMMT-QGZVFWFLSA-N 1 3 303.450 2.255 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCC1)CC(C)(C)C ZINC001373966243 1157503359 /nfs/dbraw/zinc/50/33/59/1157503359.db2.gz OSAIDUAGQUVPNH-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)NCC[C@@H](C)[NH2+]CC=C(Cl)Cl)N(C)C ZINC001403383216 1162869467 /nfs/dbraw/zinc/86/94/67/1162869467.db2.gz NGIGPVLQEBHXSC-GHMZBOCLSA-N 1 3 310.269 2.130 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001374078831 1157602003 /nfs/dbraw/zinc/60/20/03/1157602003.db2.gz OLMFZNSQYJWJHH-GUYCJALGSA-N 1 3 323.456 2.316 20 0 DEADHO Cc1ccc(C)c(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCN2C)c1 ZINC001374207340 1157726146 /nfs/dbraw/zinc/72/61/46/1157726146.db2.gz SAKBGEFXKUIHNB-SJLPKXTDSA-N 1 3 317.477 2.334 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2)[C@H](C)C1 ZINC001374386742 1157834973 /nfs/dbraw/zinc/83/49/73/1157834973.db2.gz SNKWIFHILBCILH-AEFFLSMTSA-N 1 3 317.477 2.355 20 0 DEADHO CN(CCC[N@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)CN1CCCC1 ZINC001393643584 1157892500 /nfs/dbraw/zinc/89/25/00/1157892500.db2.gz IQZQOHNATGMFDB-KURKYZTESA-N 1 3 321.509 2.299 20 0 DEADHO CN(CCC[N@@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)CN1CCCC1 ZINC001393643584 1157892501 /nfs/dbraw/zinc/89/25/01/1157892501.db2.gz IQZQOHNATGMFDB-KURKYZTESA-N 1 3 321.509 2.299 20 0 DEADHO CC[C@H](C(=O)N1CCC(CC)([NH2+]CC[C@@H](C)F)CC1)N(C)C ZINC001393668449 1157897258 /nfs/dbraw/zinc/89/72/58/1157897258.db2.gz MZQIGLICLCJCAN-HUUCEWRRSA-N 1 3 315.477 2.436 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCC2CC2)C1 ZINC001374566849 1157910394 /nfs/dbraw/zinc/91/03/94/1157910394.db2.gz PWWZBHSTJKDVCG-IRXDYDNUSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCC2CC2)C1 ZINC001374566849 1157910407 /nfs/dbraw/zinc/91/04/07/1157910407.db2.gz PWWZBHSTJKDVCG-IRXDYDNUSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CCC2)CC1(C)C)N(C)C ZINC001393769500 1157962520 /nfs/dbraw/zinc/96/25/20/1157962520.db2.gz QNHUYTQEOUUODH-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CN(Cc1ccccc1)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001393884149 1158044501 /nfs/dbraw/zinc/04/45/01/1158044501.db2.gz PMLYDRMNHWOBTJ-SFHVURJKSA-N 1 3 317.477 2.451 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1cc(C)sc1C)N(C)C ZINC001374833289 1158047755 /nfs/dbraw/zinc/04/77/55/1158047755.db2.gz DOTNAFUWMSAGPA-ABAIWWIYSA-N 1 3 311.495 2.299 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001393992594 1158140850 /nfs/dbraw/zinc/14/08/50/1158140850.db2.gz HXLZYWWJILITLR-GJZGRUSLSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H](NCc1cncs1)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001394010681 1158159937 /nfs/dbraw/zinc/15/99/37/1158159937.db2.gz XOHGZTDAEUPDBK-KBPBESRZSA-N 1 3 324.494 2.002 20 0 DEADHO Cc1cc(C[NH2+]C[C@H](NC(=O)CN(C)C(C)C)C2CC2)cs1 ZINC001375276189 1158422128 /nfs/dbraw/zinc/42/21/28/1158422128.db2.gz CUEKTECFKSTYHR-INIZCTEOSA-N 1 3 323.506 2.381 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccccc2C)C[C@@H]1C ZINC001394665180 1158660083 /nfs/dbraw/zinc/66/00/83/1158660083.db2.gz CDVIDUUBDCAMQI-WMZOPIPTSA-N 1 3 317.477 2.416 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001375495955 1158771325 /nfs/dbraw/zinc/77/13/25/1158771325.db2.gz DVFQCOLBDHSRJM-AJTWTAPCSA-N 1 3 313.873 2.098 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CC[NH+](CCCF)CC1 ZINC001394841290 1158809520 /nfs/dbraw/zinc/80/95/20/1158809520.db2.gz ZTDXGXJKVFLHIY-CQSZACIVSA-N 1 3 313.461 2.047 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)NCCN(CCF)C2CCCCCC2)C1 ZINC001375597652 1158824263 /nfs/dbraw/zinc/82/42/63/1158824263.db2.gz RUDULUCCLKMPHY-HNNXBMFYSA-N 1 3 313.461 2.049 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)NCCN(CCF)C2CCCCCC2)C1 ZINC001375597652 1158824265 /nfs/dbraw/zinc/82/42/65/1158824265.db2.gz RUDULUCCLKMPHY-HNNXBMFYSA-N 1 3 313.461 2.049 20 0 DEADHO CC[C@@H](C(=O)NC1(C)CC[NH+](CC2CCCC2)CC1)N(C)C ZINC001375780253 1158869918 /nfs/dbraw/zinc/86/99/18/1158869918.db2.gz HUQVLDCUHKREPL-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C[NH2+]CC1CCC1)C1CCCC1 ZINC001375797762 1158874672 /nfs/dbraw/zinc/87/46/72/1158874672.db2.gz UDDIKVOFNHMQJE-QGZVFWFLSA-N 1 3 318.465 2.325 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001376176640 1159194446 /nfs/dbraw/zinc/19/44/46/1159194446.db2.gz GDVRNJLGADNDSR-MRXNPFEDSA-N 1 3 307.482 2.097 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001376399249 1159387592 /nfs/dbraw/zinc/38/75/92/1159387592.db2.gz JUDCYMVCXNOVHS-WKILWMFISA-N 1 3 321.440 2.213 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1)N(C)C ZINC001376405722 1159391565 /nfs/dbraw/zinc/39/15/65/1159391565.db2.gz ZVIBBOJSDIHDJO-BRWVUGGUSA-N 1 3 303.450 2.010 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NC[C@H]1CCCC[N@@H+]1CC1CC1 ZINC001376572647 1159557279 /nfs/dbraw/zinc/55/72/79/1159557279.db2.gz FOFKGUDRCOHDGO-HZPDHXFCSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001376627665 1159613612 /nfs/dbraw/zinc/61/36/12/1159613612.db2.gz FFKRKROUUICSLS-RDJZCZTQSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001376627665 1159613620 /nfs/dbraw/zinc/61/36/20/1159613620.db2.gz FFKRKROUUICSLS-RDJZCZTQSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001376634382 1159624060 /nfs/dbraw/zinc/62/40/60/1159624060.db2.gz XWFFXOBBNAZKMQ-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001376634382 1159624073 /nfs/dbraw/zinc/62/40/73/1159624073.db2.gz XWFFXOBBNAZKMQ-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3ccccc3)C[C@H]21)N(C)C ZINC001376648259 1159640207 /nfs/dbraw/zinc/64/02/07/1159640207.db2.gz HXCYMBRNHMNUIL-XEIOYGOASA-N 1 3 315.461 2.134 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3ccccc3)C[C@H]21)N(C)C ZINC001376648259 1159640231 /nfs/dbraw/zinc/64/02/31/1159640231.db2.gz HXCYMBRNHMNUIL-XEIOYGOASA-N 1 3 315.461 2.134 20 0 DEADHO CC[C@@H](C(=O)NCc1cccc2c1CC[N@H+](CC)C2)N(C)C ZINC001376677368 1159670560 /nfs/dbraw/zinc/67/05/60/1159670560.db2.gz WACUHJBHIJVYPS-KRWDZBQOSA-N 1 3 303.450 2.021 20 0 DEADHO CC[C@@H](C(=O)NCc1cccc2c1CC[N@@H+](CC)C2)N(C)C ZINC001376677368 1159670565 /nfs/dbraw/zinc/67/05/65/1159670565.db2.gz WACUHJBHIJVYPS-KRWDZBQOSA-N 1 3 303.450 2.021 20 0 DEADHO Cc1ccc(F)c(CN[C@H](C)CNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001376794436 1159802060 /nfs/dbraw/zinc/80/20/60/1159802060.db2.gz WNIHEOKGAPPNEZ-CQSZACIVSA-N 1 3 321.440 2.070 20 0 DEADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cccc(F)c1 ZINC001377033935 1159881787 /nfs/dbraw/zinc/88/17/87/1159881787.db2.gz FWSFBNDQLUYIRF-CQSZACIVSA-N 1 3 321.440 2.294 20 0 DEADHO CC[C@H](C(=O)N1CCC(CC)([NH2+]CCC2CC2)CC1)N(C)C ZINC001377122000 1159922866 /nfs/dbraw/zinc/92/28/66/1159922866.db2.gz DGTMGKJLNZNHKG-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)N1CCC(CC)([NH2+]C/C=C\Cl)CC1)N(C)C ZINC001377122856 1159924959 /nfs/dbraw/zinc/92/49/59/1159924959.db2.gz HEWFBROEUZVLBT-JKEYDSJLSA-N 1 3 315.889 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CCC(CC)([NH2+]C/C=C\Cl)CC1)N(C)C ZINC001377122859 1159925776 /nfs/dbraw/zinc/92/57/76/1159925776.db2.gz HEWFBROEUZVLBT-YHAOYDPOSA-N 1 3 315.889 2.440 20 0 DEADHO CCCN(C)CC(=O)N1CCC(CC)([NH2+]C/C=C\Cl)CC1 ZINC001377122839 1159925915 /nfs/dbraw/zinc/92/59/15/1159925915.db2.gz HGELEUUWKIQDOH-TWGQIWQCSA-N 1 3 315.889 2.442 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)N(C)C ZINC001397129858 1160008192 /nfs/dbraw/zinc/00/81/92/1160008192.db2.gz FFFRIISRMLMTNB-ULQDDVLXSA-N 1 3 309.498 2.391 20 0 DEADHO CN(CC(=O)NC[C@H]1CC[C@@H]([NH2+]C/C=C\Cl)C1)C1CCC1 ZINC001397160941 1160025302 /nfs/dbraw/zinc/02/53/02/1160025302.db2.gz UUWXSNONYKGZKJ-SSNWNQLTSA-N 1 3 313.873 2.098 20 0 DEADHO C[C@H](c1ccc(F)cc1)N(C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001403731025 1163119527 /nfs/dbraw/zinc/11/95/27/1163119527.db2.gz IQBOTTNERZONIS-CABCVRRESA-N 1 3 321.440 2.277 20 0 DEADHO C[C@H](c1ccc(F)cc1)N(C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001403731025 1163119532 /nfs/dbraw/zinc/11/95/32/1163119532.db2.gz IQBOTTNERZONIS-CABCVRRESA-N 1 3 321.440 2.277 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC2CCCCC2)C[C@H]1C ZINC001403739011 1163126234 /nfs/dbraw/zinc/12/62/34/1163126234.db2.gz BTXGSPFYCVWFKL-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO Cc1ccccc1CN(C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001403752787 1163137297 /nfs/dbraw/zinc/13/72/97/1163137297.db2.gz QEQKVDIUOJNDKZ-KRWDZBQOSA-N 1 3 305.466 2.129 20 0 DEADHO CN(CC(=O)N1CCC[C@H](C[N@H+](C)CCCF)C1)C1CCC1 ZINC001398462276 1160898010 /nfs/dbraw/zinc/89/80/10/1160898010.db2.gz XPXRACPOXNLNCD-OAHLLOKOSA-N 1 3 313.461 2.001 20 0 DEADHO CN(CC(=O)N1CCC[C@H](C[N@@H+](C)CCCF)C1)C1CCC1 ZINC001398462276 1160898014 /nfs/dbraw/zinc/89/80/14/1160898014.db2.gz XPXRACPOXNLNCD-OAHLLOKOSA-N 1 3 313.461 2.001 20 0 DEADHO CCCC[N@H+](C)C[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001398471012 1160905528 /nfs/dbraw/zinc/90/55/28/1160905528.db2.gz JEDFKMOWEQKALJ-IAGOWNOFSA-N 1 3 309.498 2.299 20 0 DEADHO CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001398471012 1160905537 /nfs/dbraw/zinc/90/55/37/1160905537.db2.gz JEDFKMOWEQKALJ-IAGOWNOFSA-N 1 3 309.498 2.299 20 0 DEADHO C[NH+](C)CCC(=O)N[C@H]1C[C@@H](NCc2sccc2Cl)C1 ZINC001398620626 1161021360 /nfs/dbraw/zinc/02/13/60/1161021360.db2.gz HWACWFANQYPZID-PHIMTYICSA-N 1 3 315.870 2.090 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC2CC(C)(C)C2)[C@H]1C ZINC001403771829 1163164887 /nfs/dbraw/zinc/16/48/87/1163164887.db2.gz PVHWJBMEHAYDGA-GDBMZVCRSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](c1cccc(Cl)c1)N(C)CCNC(=O)CC[NH+](C)C ZINC001399567737 1161458191 /nfs/dbraw/zinc/45/81/91/1161458191.db2.gz HOESRLPSCREYIS-ZDUSSCGKSA-N 1 3 311.857 2.401 20 0 DEADHO Cc1cc(Cl)ccc1CN(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001399651653 1161503283 /nfs/dbraw/zinc/50/32/83/1161503283.db2.gz FXHMVTYNWBRBMP-OAHLLOKOSA-N 1 3 323.868 2.148 20 0 DEADHO Cc1cc(Cl)ccc1CN(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001399651653 1161503288 /nfs/dbraw/zinc/50/32/88/1161503288.db2.gz FXHMVTYNWBRBMP-OAHLLOKOSA-N 1 3 323.868 2.148 20 0 DEADHO C[N@@H+]1CC[C@@H](CC(=O)NCCN(Cc2ccccc2)C2CC2)C1 ZINC001400033498 1161637722 /nfs/dbraw/zinc/63/77/22/1161637722.db2.gz OPLVEIJREYGNJZ-KRWDZBQOSA-N 1 3 315.461 2.109 20 0 DEADHO C[N@H+]1CC[C@@H](CC(=O)NCCN(Cc2ccccc2)C2CC2)C1 ZINC001400033498 1161637723 /nfs/dbraw/zinc/63/77/23/1161637723.db2.gz OPLVEIJREYGNJZ-KRWDZBQOSA-N 1 3 315.461 2.109 20 0 DEADHO CC[C@H](C(=O)N1CCC(C[N@H+](C)CCC2CC2)CC1)N(C)C ZINC001400249830 1161699323 /nfs/dbraw/zinc/69/93/23/1161699323.db2.gz XFKSTQTWDNKDMA-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C(=O)N1CCC(C[N@@H+](C)CCC2CC2)CC1)N(C)C ZINC001400249830 1161699325 /nfs/dbraw/zinc/69/93/25/1161699325.db2.gz XFKSTQTWDNKDMA-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO Cc1cccc(CN2CCC[C@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001400294972 1161711455 /nfs/dbraw/zinc/71/14/55/1161711455.db2.gz BIIYCAWOSAJWQG-KRWDZBQOSA-N 1 3 303.450 2.027 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001400676388 1161798427 /nfs/dbraw/zinc/79/84/27/1161798427.db2.gz FEHNMFWWFZYOTJ-GOSISDBHSA-N 1 3 317.477 2.336 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001400676388 1161798430 /nfs/dbraw/zinc/79/84/30/1161798430.db2.gz FEHNMFWWFZYOTJ-GOSISDBHSA-N 1 3 317.477 2.336 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCCC1 ZINC001401108518 1161875101 /nfs/dbraw/zinc/87/51/01/1161875101.db2.gz MWSVRNWUUHBDDO-WBVHZDCISA-N 1 3 309.498 2.391 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001401148565 1161883085 /nfs/dbraw/zinc/88/30/85/1161883085.db2.gz XPJZSDVNQZKBGZ-YJBOKZPZSA-N 1 3 319.493 2.423 20 0 DEADHO C[C@H](C[NH2+]CC1CC2(CCC2)C1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001401249230 1161904829 /nfs/dbraw/zinc/90/48/29/1161904829.db2.gz ZLYSGLOZPITUOF-JKSUJKDBSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H](C[NH2+]C[C@@H]1CCC(F)(F)C1)NC(=O)C1(N(C)C)CCC1 ZINC001401625508 1162050548 /nfs/dbraw/zinc/05/05/48/1162050548.db2.gz LUHHTHRSVKZCJP-CHWSQXEVSA-N 1 3 317.424 2.000 20 0 DEADHO C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1)NC(=O)CN(C)C1CCC1 ZINC001401627013 1162051174 /nfs/dbraw/zinc/05/11/74/1162051174.db2.gz RJEQNAPSILBELI-KGLIPLIRSA-N 1 3 321.440 2.465 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc2c(c1)CCC2)N(C)C ZINC001401647592 1162058177 /nfs/dbraw/zinc/05/81/77/1162058177.db2.gz MANMWZJIBZSSRI-KDOFPFPSSA-N 1 3 317.477 2.110 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001401716185 1162089097 /nfs/dbraw/zinc/08/90/97/1162089097.db2.gz FGKKNGKLLRNWFT-GUYCJALGSA-N 1 3 321.440 2.249 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)C/C=C\c1ccccc1)N(C)C ZINC001401775437 1162124935 /nfs/dbraw/zinc/12/49/35/1162124935.db2.gz HPIQVEOEHOENRP-LTKWUZHNSA-N 1 3 317.477 2.477 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)C/C=C\c1ccccc1)N(C)C ZINC001401775437 1162124939 /nfs/dbraw/zinc/12/49/39/1162124939.db2.gz HPIQVEOEHOENRP-LTKWUZHNSA-N 1 3 317.477 2.477 20 0 DEADHO CC(C)[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C1CC1 ZINC001401872290 1162161733 /nfs/dbraw/zinc/16/17/33/1162161733.db2.gz NXESSBYVCHPZBN-DLBZAZTESA-N 1 3 309.498 2.390 20 0 DEADHO C[NH+](C)CC1(C(=O)NC[C@H]2CCN2CC2CC3(CCC3)C2)CC1 ZINC001401904123 1162174015 /nfs/dbraw/zinc/17/40/15/1162174015.db2.gz MFJZHTMQLLIDOR-MRXNPFEDSA-N 1 3 319.493 2.099 20 0 DEADHO C[NH+](C)CC1(C(=O)NC[C@@H]2CCN2CC2CC3(CCC3)C2)CC1 ZINC001401904122 1162174418 /nfs/dbraw/zinc/17/44/18/1162174418.db2.gz MFJZHTMQLLIDOR-INIZCTEOSA-N 1 3 319.493 2.099 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@H+](CC2CC2)C1 ZINC001402201901 1162285503 /nfs/dbraw/zinc/28/55/03/1162285503.db2.gz FSRCVEYNQBGUHG-PKOBYXMFSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](CC2CC2)C1 ZINC001402201901 1162285505 /nfs/dbraw/zinc/28/55/05/1162285505.db2.gz FSRCVEYNQBGUHG-PKOBYXMFSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001404078729 1163424576 /nfs/dbraw/zinc/42/45/76/1163424576.db2.gz KAEUCRPGZGGRMY-INIZCTEOSA-N 1 3 321.509 2.347 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001404078729 1163424582 /nfs/dbraw/zinc/42/45/82/1163424582.db2.gz KAEUCRPGZGGRMY-INIZCTEOSA-N 1 3 321.509 2.347 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@H]1CC[N@H+](CC2CCC2)C1)N(C)C ZINC001404513740 1163691183 /nfs/dbraw/zinc/69/11/83/1163691183.db2.gz KUUXAUOHXJOAPY-DLBZAZTESA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncs2)CC1)N(C)C ZINC001405529580 1164137152 /nfs/dbraw/zinc/13/71/52/1164137152.db2.gz BVRZZMXXMVEZDU-YDHLFZDLSA-N 1 3 324.494 2.000 20 0 DEADHO CC[C@H](C(=O)N1CCC(CC[N@H+](C)CC2CC2)CC1)N(C)C ZINC001405965284 1164361195 /nfs/dbraw/zinc/36/11/95/1164361195.db2.gz BCSJNZLUSWWXHQ-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C(=O)N1CCC(CC[N@@H+](C)CC2CC2)CC1)N(C)C ZINC001405965284 1164361201 /nfs/dbraw/zinc/36/12/01/1164361201.db2.gz BCSJNZLUSWWXHQ-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC2CCCC2)[C@H](C)C1 ZINC001405968003 1164362370 /nfs/dbraw/zinc/36/23/70/1164362370.db2.gz KMKBBHMUWHBEPS-NVXWUHKLSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001405986225 1164371932 /nfs/dbraw/zinc/37/19/32/1164371932.db2.gz HNPRKLSYSOCCJU-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1NC/C(Cl)=C/Cl ZINC001406000207 1164379841 /nfs/dbraw/zinc/37/98/41/1164379841.db2.gz QVCDYDOYZHWFRG-KCWVNHISSA-N 1 3 322.280 2.084 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1cc(C)cc(C)c1)N(C)C ZINC001406397286 1164567556 /nfs/dbraw/zinc/56/75/56/1164567556.db2.gz BFEIBVCPBPDLBJ-WBVHZDCISA-N 1 3 305.466 2.238 20 0 DEADHO C[C@@H](C[NH2+]CC1CCCCCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001406515928 1164651192 /nfs/dbraw/zinc/65/11/92/1164651192.db2.gz BZYMFCYKFZMNMS-HOTGVXAUSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001406732437 1164810003 /nfs/dbraw/zinc/81/00/03/1164810003.db2.gz YKTKDELQQPNNRZ-CRAIPNDOSA-N 1 3 317.477 2.451 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001406732437 1164810004 /nfs/dbraw/zinc/81/00/04/1164810004.db2.gz YKTKDELQQPNNRZ-CRAIPNDOSA-N 1 3 317.477 2.451 20 0 DEADHO CC[C@@H](C(=O)NCC1(C)CC[NH+](CC[C@H](C)F)CC1)N(C)C ZINC001407272922 1165078867 /nfs/dbraw/zinc/07/88/67/1165078867.db2.gz HVZRYRCENUXUBP-GJZGRUSLSA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001407757456 1165289518 /nfs/dbraw/zinc/28/95/18/1165289518.db2.gz ZXTJPLXXCAHSAE-RBSFLKMASA-N 1 3 301.450 2.045 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2csc(C)c2)C1 ZINC001408106733 1165479441 /nfs/dbraw/zinc/47/94/41/1165479441.db2.gz SPZIFSOJSDGKLM-CJNGLKHVSA-N 1 3 323.506 2.335 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001408358149 1165613634 /nfs/dbraw/zinc/61/36/34/1165613634.db2.gz OFSCMJQVEGBLSX-QZTJIDSGSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001408358149 1165613637 /nfs/dbraw/zinc/61/36/37/1165613637.db2.gz OFSCMJQVEGBLSX-QZTJIDSGSA-N 1 3 321.509 2.297 20 0 DEADHO COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[C@H]3CN(C)C[C@H]31)C2 ZINC001414193509 1165738682 /nfs/dbraw/zinc/73/86/82/1165738682.db2.gz GPHUUFONZZLPKC-CWLKWCNXSA-N 1 3 300.446 2.482 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC001417915924 1167304295 /nfs/dbraw/zinc/30/42/95/1167304295.db2.gz FTQUHEUUQSPMSN-GOSISDBHSA-N 1 3 317.477 2.152 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC001417915924 1167304300 /nfs/dbraw/zinc/30/43/00/1167304300.db2.gz FTQUHEUUQSPMSN-GOSISDBHSA-N 1 3 317.477 2.152 20 0 DEADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001418232328 1167507712 /nfs/dbraw/zinc/50/77/12/1167507712.db2.gz DEURKTCZIAUHHE-KGLIPLIRSA-N 1 3 321.440 2.465 20 0 DEADHO CC[C@H](F)CN[C@@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001418266715 1167532339 /nfs/dbraw/zinc/53/23/39/1167532339.db2.gz URCGWHXYZPOZJL-GJZGRUSLSA-N 1 3 315.477 2.341 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CCN(C/C=C\Cl)C1)[NH+](CC)CC ZINC001418676036 1167878471 /nfs/dbraw/zinc/87/84/71/1167878471.db2.gz WCAUZEKFBMXKSC-RJXMKIDGSA-N 1 3 315.889 2.297 20 0 DEADHO CN(CC(=O)NCC[N@H+](Cc1ccccc1)C1CC1)C1CCC1 ZINC001418758701 1167949451 /nfs/dbraw/zinc/94/94/51/1167949451.db2.gz BHAIOTJRCCEFEZ-UHFFFAOYSA-N 1 3 315.461 2.252 20 0 DEADHO CN(CC(=O)NCC[N@@H+](Cc1ccccc1)C1CC1)C1CCC1 ZINC001418758701 1167949454 /nfs/dbraw/zinc/94/94/54/1167949454.db2.gz BHAIOTJRCCEFEZ-UHFFFAOYSA-N 1 3 315.461 2.252 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC2C[NH+](CCC3CCCCC3)C2)C1 ZINC001419032158 1168146397 /nfs/dbraw/zinc/14/63/97/1168146397.db2.gz SFFKUUPCBGCDFJ-INIZCTEOSA-N 1 3 321.509 2.347 20 0 DEADHO CC1CC(C[NH+]2CCC(N(C)C(=O)CN(C)C3CCC3)CC2)C1 ZINC001419076578 1168181518 /nfs/dbraw/zinc/18/15/18/1168181518.db2.gz BRAZAWBMFHCIQY-UHFFFAOYSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)N1CCCC1 ZINC001419188904 1168302016 /nfs/dbraw/zinc/30/20/16/1168302016.db2.gz IOOVGZAKOCEGIO-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)N1CCCC1 ZINC001419188904 1168302020 /nfs/dbraw/zinc/30/20/20/1168302020.db2.gz IOOVGZAKOCEGIO-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN(C(=O)CN(C)C(C)C)C1CC[NH+](CCCF)CC1 ZINC001419209087 1168316235 /nfs/dbraw/zinc/31/62/35/1168316235.db2.gz UDADWOJQJURYFM-UHFFFAOYSA-N 1 3 315.477 2.389 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+]CC1CC2(CCC2)C1 ZINC001419524750 1168573808 /nfs/dbraw/zinc/57/38/08/1168573808.db2.gz GQXSAYKLVUNPLP-ZDUSSCGKSA-N 1 3 318.465 2.183 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCC1)N(C)C ZINC001419590241 1168637522 /nfs/dbraw/zinc/63/75/22/1168637522.db2.gz AYWIYOHFGZWNPM-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCC1)N(C)C ZINC001419590241 1168637529 /nfs/dbraw/zinc/63/75/29/1168637529.db2.gz AYWIYOHFGZWNPM-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1CCC([NH2+]CC[C@@H](C)F)CC1 ZINC001419687298 1168803049 /nfs/dbraw/zinc/80/30/49/1168803049.db2.gz YJAATAMTXDRXSL-LMWSTFAQSA-N 1 3 310.417 2.026 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cc2c[nH]cn2)c1 ZINC001419726891 1168822580 /nfs/dbraw/zinc/82/25/80/1168822580.db2.gz RMLDVXHNNMCLRR-HUUCEWRRSA-N 1 3 314.433 2.458 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001419767033 1168837917 /nfs/dbraw/zinc/83/79/17/1168837917.db2.gz FYUUXBTWFGOIJP-IUODEOHRSA-N 1 3 311.857 2.275 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]C/C=C/Cl)C(C)C ZINC001419878075 1168887228 /nfs/dbraw/zinc/88/72/28/1168887228.db2.gz MUKFAJZMIIETSJ-OCESRQBRSA-N 1 3 315.889 2.344 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]C[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001420336609 1169374285 /nfs/dbraw/zinc/37/42/85/1169374285.db2.gz DAQHVQGGCXJLAS-UKRRQHHQSA-N 1 3 321.440 2.070 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001420500850 1169669908 /nfs/dbraw/zinc/66/99/08/1169669908.db2.gz FWHXZSAQIDKELD-WMLDXEAASA-N 1 3 323.456 2.315 20 0 DEADHO CC(C)(C(=O)NCC[N@H+](CCCF)C1CC1)N1CCCCC1 ZINC001420644444 1169848447 /nfs/dbraw/zinc/84/84/47/1169848447.db2.gz SCQQZQZBPNVLSQ-UHFFFAOYSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)(C(=O)NCC[N@@H+](CCCF)C1CC1)N1CCCCC1 ZINC001420644444 1169848449 /nfs/dbraw/zinc/84/84/49/1169848449.db2.gz SCQQZQZBPNVLSQ-UHFFFAOYSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+]Cc2ccc(CF)cc2)CC1 ZINC001421003888 1171421052 /nfs/dbraw/zinc/42/10/52/1171421052.db2.gz FGMZIHHQYZYWHS-UHFFFAOYSA-N 1 3 321.440 2.235 20 0 DEADHO CCC(CC)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001421108020 1171498715 /nfs/dbraw/zinc/49/87/15/1171498715.db2.gz QEBOCVXVEORANE-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO CN(CC(=O)N1CCC[C@H]1C[NH2+]CC1CCC1)CC(C)(C)C ZINC001421136540 1171521798 /nfs/dbraw/zinc/52/17/98/1171521798.db2.gz OSAIDUAGQUVPNH-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1cccc(C)c1CN1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001421177010 1171553572 /nfs/dbraw/zinc/55/35/72/1171553572.db2.gz WTNCIKKPXWLHKX-UHFFFAOYSA-N 1 3 317.477 2.193 20 0 DEADHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCc1ccccc1F ZINC001421466443 1171811764 /nfs/dbraw/zinc/81/17/64/1171811764.db2.gz CRUUEQTVFULOBQ-HOCLYGCPSA-N 1 3 321.440 2.152 20 0 DEADHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1ccccc1F ZINC001421466443 1171811765 /nfs/dbraw/zinc/81/17/65/1171811765.db2.gz CRUUEQTVFULOBQ-HOCLYGCPSA-N 1 3 321.440 2.152 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCC1 ZINC001421550863 1171843642 /nfs/dbraw/zinc/84/36/42/1171843642.db2.gz YHCZHXXGTCNARU-BJWYYQGGSA-N 1 3 319.493 2.240 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCC1 ZINC001421550863 1171843645 /nfs/dbraw/zinc/84/36/45/1171843645.db2.gz YHCZHXXGTCNARU-BJWYYQGGSA-N 1 3 319.493 2.240 20 0 DEADHO CCC[N@@H+]1CCc2c(CNC(=O)[C@H](CC)N(C)C)cccc2C1 ZINC001421699447 1171909069 /nfs/dbraw/zinc/90/90/69/1171909069.db2.gz RAXBJLHQWWWYHW-SFHVURJKSA-N 1 3 317.477 2.411 20 0 DEADHO CCC[N@H+]1CCc2c(CNC(=O)[C@H](CC)N(C)C)cccc2C1 ZINC001421699447 1171909076 /nfs/dbraw/zinc/90/90/76/1171909076.db2.gz RAXBJLHQWWWYHW-SFHVURJKSA-N 1 3 317.477 2.411 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCC2(NC/C=C/Cl)CCC2)CC[N@@H+]1C ZINC001421754263 1171964875 /nfs/dbraw/zinc/96/48/75/1171964875.db2.gz VAQPUYGAVBMZPK-DBMMHUENSA-N 1 3 313.873 2.098 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCC2(NC/C=C/Cl)CCC2)CC[N@H+]1C ZINC001421754263 1171964886 /nfs/dbraw/zinc/96/48/86/1171964886.db2.gz VAQPUYGAVBMZPK-DBMMHUENSA-N 1 3 313.873 2.098 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+]Cc1cccc(F)c1 ZINC001421764248 1171976425 /nfs/dbraw/zinc/97/64/25/1171976425.db2.gz HGDRZNLKYNNBGB-CQSZACIVSA-N 1 3 309.429 2.008 20 0 DEADHO CC(C)[C@H](C(=O)NCC1([NH2+]CC2CC(C)C2)CCC1)N(C)C ZINC001421777585 1171989807 /nfs/dbraw/zinc/98/98/07/1171989807.db2.gz ITTLUROOPNNPDQ-UYSNPLJNSA-N 1 3 309.498 2.247 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCC(F)(F)F)CC1)N(C)C ZINC001421818678 1172013777 /nfs/dbraw/zinc/01/37/77/1172013777.db2.gz HJPGLBOGZZAVGR-OLZOCXBDSA-N 1 3 323.403 2.250 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCC(F)(F)F)CC1)N(C)C ZINC001421818678 1172013782 /nfs/dbraw/zinc/01/37/82/1172013782.db2.gz HJPGLBOGZZAVGR-OLZOCXBDSA-N 1 3 323.403 2.250 20 0 DEADHO Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)CN2CCCC2)cc1 ZINC001421900627 1172106733 /nfs/dbraw/zinc/10/67/33/1172106733.db2.gz FNLJUUBYNKCGDA-UHFFFAOYSA-N 1 3 317.477 2.371 20 0 DEADHO Cc1ccc(C[N@H+](C)CCCN(C)C(=O)CN2CCCC2)cc1 ZINC001421900627 1172106741 /nfs/dbraw/zinc/10/67/41/1172106741.db2.gz FNLJUUBYNKCGDA-UHFFFAOYSA-N 1 3 317.477 2.371 20 0 DEADHO Cc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)CN2CC[C@@H](C)C2)c1 ZINC001421935504 1172149001 /nfs/dbraw/zinc/14/90/01/1172149001.db2.gz BMYYWOSBDJANBG-IAGOWNOFSA-N 1 3 317.477 2.273 20 0 DEADHO CCc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)CN1CCCC1 ZINC001421992133 1172215389 /nfs/dbraw/zinc/21/53/89/1172215389.db2.gz KSLHRLIVKFJUNT-MRXNPFEDSA-N 1 3 317.477 2.281 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC(CC[N@H+](C)CC3CC3)CC2)C1 ZINC001422042640 1172250505 /nfs/dbraw/zinc/25/05/05/1172250505.db2.gz QXMQCOVQTCFTJJ-INIZCTEOSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC(CC[N@@H+](C)CC3CC3)CC2)C1 ZINC001422042640 1172250518 /nfs/dbraw/zinc/25/05/18/1172250518.db2.gz QXMQCOVQTCFTJJ-INIZCTEOSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCc1ccccc1Cl ZINC001422068834 1172271501 /nfs/dbraw/zinc/27/15/01/1172271501.db2.gz UWUUDSPJUCEKSE-XJKSGUPXSA-N 1 3 323.868 2.228 20 0 DEADHO C[C@@H](CN1CCOCC1)N1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001422162666 1172361018 /nfs/dbraw/zinc/36/10/18/1172361018.db2.gz ZLPXZZYJAXCWHA-OALUTQOASA-N 1 3 323.525 2.294 20 0 DEADHO C[N@H+](CCC1CCCC1)C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001422236964 1172424111 /nfs/dbraw/zinc/42/41/11/1172424111.db2.gz PCUWLFCETNQDHA-QGZVFWFLSA-N 1 3 318.465 2.455 20 0 DEADHO C[N@@H+](CCC1CCCC1)C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001422236964 1172424114 /nfs/dbraw/zinc/42/41/14/1172424114.db2.gz PCUWLFCETNQDHA-QGZVFWFLSA-N 1 3 318.465 2.455 20 0 DEADHO C[C@H](c1cccc(F)c1)N(C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001422569416 1172718146 /nfs/dbraw/zinc/71/81/46/1172718146.db2.gz UGAAQPNTNJTWPV-UONOGXRCSA-N 1 3 309.429 2.275 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1CCCC(C)C ZINC001423095198 1173072386 /nfs/dbraw/zinc/07/23/86/1173072386.db2.gz UCCGLHHDVZRUDE-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1CCCC(C)C ZINC001423095198 1173072396 /nfs/dbraw/zinc/07/23/96/1173072396.db2.gz UCCGLHHDVZRUDE-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1nc(CCNC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)n[nH]1 ZINC001423107385 1173080686 /nfs/dbraw/zinc/08/06/86/1173080686.db2.gz YPGMHSFZBNVFRF-CZUORRHYSA-N 1 3 305.470 2.288 20 0 DEADHO Cc1n[nH]c(CCNC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)n1 ZINC001423107385 1173080692 /nfs/dbraw/zinc/08/06/92/1173080692.db2.gz YPGMHSFZBNVFRF-CZUORRHYSA-N 1 3 305.470 2.288 20 0 DEADHO Cc1ccccc1C[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001423229309 1173174354 /nfs/dbraw/zinc/17/43/54/1173174354.db2.gz OYBDYRXFCLKTFM-UHFFFAOYSA-N 1 3 315.461 2.218 20 0 DEADHO CCCN1CCc2ccccc2[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001424719878 1173885798 /nfs/dbraw/zinc/88/57/98/1173885798.db2.gz ARMPXIOHSDTOGA-GOSISDBHSA-N 1 3 317.477 2.454 20 0 DEADHO CCCN1CCc2ccccc2[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001424719878 1173885802 /nfs/dbraw/zinc/88/58/02/1173885802.db2.gz ARMPXIOHSDTOGA-GOSISDBHSA-N 1 3 317.477 2.454 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC001425274289 1174269320 /nfs/dbraw/zinc/26/93/20/1174269320.db2.gz VZIFTHNDCAPULO-CQSZACIVSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H]1C[C@H](C[NH2+]C2CCC(C)(N3CCOCC3)CC2)[C@H](C)O1 ZINC001434533344 1178798813 /nfs/dbraw/zinc/79/88/13/1178798813.db2.gz PRMKWXFDDARVDQ-VBWXLCSBSA-N 1 3 310.482 2.423 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCN1C ZINC001434766445 1178872717 /nfs/dbraw/zinc/87/27/17/1178872717.db2.gz MVMJLOVVBLVCGQ-QKPAOTATSA-N 1 3 324.513 2.135 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCN1C ZINC001434766445 1178872720 /nfs/dbraw/zinc/87/27/20/1178872720.db2.gz MVMJLOVVBLVCGQ-QKPAOTATSA-N 1 3 324.513 2.135 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1C[C@H]([NH2+]CC2CC(C)C2)C1)N(C)C ZINC001436359365 1179062117 /nfs/dbraw/zinc/06/21/17/1179062117.db2.gz LICXLKVODKJKJJ-GADNRMJZSA-N 1 3 309.498 2.103 20 0 DEADHO Cc1cc(CN2CCC[C@H](NC(=O)CC[NH+](C)C)C2)c(C)s1 ZINC001436688691 1179189046 /nfs/dbraw/zinc/18/90/46/1179189046.db2.gz JTPRCNDKGAUGBH-INIZCTEOSA-N 1 3 323.506 2.397 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001437063894 1179383698 /nfs/dbraw/zinc/38/36/98/1179383698.db2.gz KZWKTCWIGBWSBS-RDJZCZTQSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001437063894 1179383703 /nfs/dbraw/zinc/38/37/03/1179383703.db2.gz KZWKTCWIGBWSBS-RDJZCZTQSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001437324959 1179721297 /nfs/dbraw/zinc/72/12/97/1179721297.db2.gz KPMXEOZUFPAWLQ-INIZCTEOSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+]Cc1ccccc1F ZINC001437425608 1179800563 /nfs/dbraw/zinc/80/05/63/1179800563.db2.gz FWMZLRGFKMODOG-CQSZACIVSA-N 1 3 309.429 2.150 20 0 DEADHO CC(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001437975347 1180122680 /nfs/dbraw/zinc/12/26/80/1180122680.db2.gz JUXSFXGGEBWVBG-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001437975347 1180122691 /nfs/dbraw/zinc/12/26/91/1180122691.db2.gz JUXSFXGGEBWVBG-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CCC(CC)C[NH+]1CC(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001438147112 1180217342 /nfs/dbraw/zinc/21/73/42/1180217342.db2.gz XSHRBLXJGUKLLU-UHFFFAOYSA-N 1 3 311.514 2.449 20 0 DEADHO CC(C)C[NH2+]C[C@@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001438533612 1180563201 /nfs/dbraw/zinc/56/32/01/1180563201.db2.gz UFIVNUOWMOCIPT-PBHICJAKSA-N 1 3 315.477 2.197 20 0 DEADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1C ZINC001438707352 1180778452 /nfs/dbraw/zinc/77/84/52/1180778452.db2.gz VGBQKVYPQCMUEZ-INIZCTEOSA-N 1 3 305.466 2.273 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CNCc1cncs1 ZINC001439257630 1180972483 /nfs/dbraw/zinc/97/24/83/1180972483.db2.gz MWPVOCKUODMRLP-DZGCQCFKSA-N 1 3 324.494 2.000 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CNCc1cncs1 ZINC001439257630 1180972496 /nfs/dbraw/zinc/97/24/96/1180972496.db2.gz MWPVOCKUODMRLP-DZGCQCFKSA-N 1 3 324.494 2.000 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1cccc(C)c1)C1CC1)N(C)C ZINC001439485998 1181108648 /nfs/dbraw/zinc/10/86/48/1181108648.db2.gz PQFUKPRJAYUODP-ZWKOTPCHSA-N 1 3 317.477 2.320 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCC1)N(CC)CC ZINC001439551009 1181138279 /nfs/dbraw/zinc/13/82/79/1181138279.db2.gz ZBBNFUGZXCVUBZ-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@H+]1CC1CCCC1)N(CC)CC ZINC001439551009 1181138282 /nfs/dbraw/zinc/13/82/82/1181138282.db2.gz ZBBNFUGZXCVUBZ-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](NC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1)c1cccc(F)c1 ZINC001439666887 1181193041 /nfs/dbraw/zinc/19/30/41/1181193041.db2.gz IWWIVSGZJBZOKI-DZGCQCFKSA-N 1 3 319.424 2.077 20 0 DEADHO C[C@H](NC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)c1cccc(F)c1 ZINC001439666887 1181193043 /nfs/dbraw/zinc/19/30/43/1181193043.db2.gz IWWIVSGZJBZOKI-DZGCQCFKSA-N 1 3 319.424 2.077 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@](C)(C[NH2+]CC3CCC3)C2)CC1 ZINC001439900207 1181296910 /nfs/dbraw/zinc/29/69/10/1181296910.db2.gz PZXAAQMNRIRYCR-LJQANCHMSA-N 1 3 321.509 2.347 20 0 DEADHO CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001439924185 1181307131 /nfs/dbraw/zinc/30/71/31/1181307131.db2.gz UHDPVAZWTDEQTJ-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@]1(C)CCC[N@@H+](CC[C@H](C)F)C1 ZINC001439948513 1181325410 /nfs/dbraw/zinc/32/54/10/1181325410.db2.gz MOKIFQVEYYMYDK-DOTOQJQBSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@]1(C)CCC[N@H+](CC[C@H](C)F)C1 ZINC001439948513 1181325416 /nfs/dbraw/zinc/32/54/16/1181325416.db2.gz MOKIFQVEYYMYDK-DOTOQJQBSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001440315980 1181444580 /nfs/dbraw/zinc/44/45/80/1181444580.db2.gz DUHDYFVSJANSLK-GASCZTMLSA-N 1 3 309.479 2.073 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C[C@H]1C)CC[NH+](CCC)CC2 ZINC001440422144 1181501871 /nfs/dbraw/zinc/50/18/71/1181501871.db2.gz XQSDVQUAXROOAX-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1NCCF ZINC001440586852 1181602107 /nfs/dbraw/zinc/60/21/07/1181602107.db2.gz GAJAAZMFQZQOSD-GOEBONIOSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1NCCF ZINC001440586852 1181602110 /nfs/dbraw/zinc/60/21/10/1181602110.db2.gz GAJAAZMFQZQOSD-GOEBONIOSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC001440691844 1181642251 /nfs/dbraw/zinc/64/22/51/1181642251.db2.gz IWCBQXYZFRUZKE-MAUKXSAKSA-N 1 3 317.477 2.499 20 0 DEADHO C[C@H](F)CC[N@H+](C)C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001440734192 1181663631 /nfs/dbraw/zinc/66/36/31/1181663631.db2.gz PFBXZDAGVXBZAX-GOEBONIOSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@H](F)CC[N@@H+](C)C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001440734192 1181663634 /nfs/dbraw/zinc/66/36/34/1181663634.db2.gz PFBXZDAGVXBZAX-GOEBONIOSA-N 1 3 313.461 2.142 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H](C)N(C)Cc1ccc(F)cc1)[NH+](C)C ZINC001440967481 1181804281 /nfs/dbraw/zinc/80/42/81/1181804281.db2.gz LQMMSYPEOPTHGN-WMLDXEAASA-N 1 3 323.456 2.348 20 0 DEADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001441327527 1181945132 /nfs/dbraw/zinc/94/51/32/1181945132.db2.gz MGPDDTWOXXQSLB-IYBDPMFKSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@H](C)C[N@H+](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001441386834 1181970007 /nfs/dbraw/zinc/97/00/07/1181970007.db2.gz NJBLHFLZYOLALO-JKSUJKDBSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C)C[N@@H+](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001441386834 1181970010 /nfs/dbraw/zinc/97/00/10/1181970010.db2.gz NJBLHFLZYOLALO-JKSUJKDBSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C(=O)N1CCC([N@H+](C)C/C=C\Cl)CC1)N(C)C ZINC001441394110 1181973521 /nfs/dbraw/zinc/97/35/21/1181973521.db2.gz MWFNNIFLFCVWBN-PIZKADEWSA-N 1 3 301.862 2.002 20 0 DEADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)C/C=C\Cl)CC1)N(C)C ZINC001441394110 1181973528 /nfs/dbraw/zinc/97/35/28/1181973528.db2.gz MWFNNIFLFCVWBN-PIZKADEWSA-N 1 3 301.862 2.002 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(CC)c2)C1 ZINC001441422339 1181987202 /nfs/dbraw/zinc/98/72/02/1181987202.db2.gz VGITUYBVZWWSFB-IYARVYRRSA-N 1 3 317.477 2.328 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC001441586252 1182075510 /nfs/dbraw/zinc/07/55/10/1182075510.db2.gz PNPPHYHOLJCDGC-HNNXBMFYSA-N 1 3 323.506 2.418 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC001441586252 1182075516 /nfs/dbraw/zinc/07/55/16/1182075516.db2.gz PNPPHYHOLJCDGC-HNNXBMFYSA-N 1 3 323.506 2.418 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C(C)(C)C ZINC001442138359 1182341556 /nfs/dbraw/zinc/34/15/56/1182341556.db2.gz COLRCDLQFUQPFX-KGLIPLIRSA-N 1 3 315.477 2.339 20 0 DEADHO Cc1cccc(C[NH2+]C2CC(N(C)C(=O)CN(C)C(C)C)C2)c1 ZINC001442259902 1182394370 /nfs/dbraw/zinc/39/43/70/1182394370.db2.gz NDNAZDYAVVPJRE-UHFFFAOYSA-N 1 3 317.477 2.414 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CCNC(=O)CN(C)C(C)C)cc1F ZINC001442342359 1182427523 /nfs/dbraw/zinc/42/75/23/1182427523.db2.gz VILPTXOKIHPFCR-OAHLLOKOSA-N 1 3 323.456 2.459 20 0 DEADHO CCN(C/C=C/c1ccccc1)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001442744194 1182681520 /nfs/dbraw/zinc/68/15/20/1182681520.db2.gz KWYHSZWLCXWYAI-RUJXFNLJSA-N 1 3 315.461 2.090 20 0 DEADHO CCN(C/C=C/c1ccccc1)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001442744194 1182681533 /nfs/dbraw/zinc/68/15/33/1182681533.db2.gz KWYHSZWLCXWYAI-RUJXFNLJSA-N 1 3 315.461 2.090 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CCC1CC1)N1CCCC1 ZINC001442838442 1182736385 /nfs/dbraw/zinc/73/63/85/1182736385.db2.gz CKAFMSPQRGEIDU-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CCC1CC1)N1CCCC1 ZINC001442838442 1182736391 /nfs/dbraw/zinc/73/63/91/1182736391.db2.gz CKAFMSPQRGEIDU-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccccc1 ZINC001445101621 1183773118 /nfs/dbraw/zinc/77/31/18/1183773118.db2.gz CHWPTSRXEWNNNT-ROUUACIJSA-N 1 3 317.477 2.403 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@H+](CC[C@H](C)F)C2)C1 ZINC001446335565 1184312331 /nfs/dbraw/zinc/31/23/31/1184312331.db2.gz FQSMOSLPDZUXFL-DOTOQJQBSA-N 1 3 313.461 2.001 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@@H+](CC[C@H](C)F)C2)C1 ZINC001446335565 1184312335 /nfs/dbraw/zinc/31/23/35/1184312335.db2.gz FQSMOSLPDZUXFL-DOTOQJQBSA-N 1 3 313.461 2.001 20 0 DEADHO CC[NH+]1CCC(C)(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001446470718 1184362359 /nfs/dbraw/zinc/36/23/59/1184362359.db2.gz SYMUOJDNZXDVLV-KRWDZBQOSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H]([NH2+]CC1CC1)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001446943310 1184586146 /nfs/dbraw/zinc/58/61/46/1184586146.db2.gz SAVTUNPTUXUPBF-GOEBONIOSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)N(C)C ZINC001446973316 1184596633 /nfs/dbraw/zinc/59/66/33/1184596633.db2.gz WQAKWYSQHWRMSD-MHORFTMASA-N 1 3 321.509 2.342 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)N(C)C ZINC001446973316 1184596639 /nfs/dbraw/zinc/59/66/39/1184596639.db2.gz WQAKWYSQHWRMSD-MHORFTMASA-N 1 3 321.509 2.342 20 0 DEADHO CCC1([NH2+]CC2CCC2)CCN(C(=O)CN2CCCC2)CC1 ZINC001447426099 1184770051 /nfs/dbraw/zinc/77/00/51/1184770051.db2.gz VECHVHLCFWRLCL-UHFFFAOYSA-N 1 3 307.482 2.243 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cc(C)ccc1F ZINC001447930947 1184961581 /nfs/dbraw/zinc/96/15/81/1184961581.db2.gz ZIFLETFQOCYCAB-GJZGRUSLSA-N 1 3 323.456 2.459 20 0 DEADHO CC(C)CC[NH+]1CC([C@@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001448320440 1185161432 /nfs/dbraw/zinc/16/14/32/1185161432.db2.gz OQFXXQLKFMMISD-OAHLLOKOSA-N 1 3 311.514 2.447 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)Cc2c[nH]cn2)c(C)c1 ZINC001448723298 1185382968 /nfs/dbraw/zinc/38/29/68/1185382968.db2.gz AUIZLLDZIDKWMX-HNNXBMFYSA-N 1 3 314.433 2.206 20 0 DEADHO CCC(CC)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H]1C ZINC001448989035 1185473513 /nfs/dbraw/zinc/47/35/13/1185473513.db2.gz UWIZSVFOLQCDNG-PBHICJAKSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@H](F)CN1CC[C@@]2(NC(=O)CC[N@H+](C)CC)CCC[C@@H]12 ZINC001449013514 1185487222 /nfs/dbraw/zinc/48/72/22/1185487222.db2.gz LTIFFEMHKCTNOQ-UXLLHSPISA-N 1 3 313.461 2.190 20 0 DEADHO CC[C@H](F)CN1CC[C@@]2(NC(=O)CC[N@@H+](C)CC)CCC[C@@H]12 ZINC001449013514 1185487224 /nfs/dbraw/zinc/48/72/24/1185487224.db2.gz LTIFFEMHKCTNOQ-UXLLHSPISA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H]1C[C@@H](NCc2ccsc2)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001449027062 1185495830 /nfs/dbraw/zinc/49/58/30/1185495830.db2.gz NKLXOFVDCDGPRO-UKRRQHHQSA-N 1 3 321.490 2.169 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH2+]C(C)C)C1 ZINC001449369802 1185681769 /nfs/dbraw/zinc/68/17/69/1185681769.db2.gz PPDDYCYCSDHDGN-STQMWFEESA-N 1 3 323.403 2.106 20 0 DEADHO NCc1cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ncn1 ZINC001164626022 719070314 /nfs/dbraw/zinc/07/03/14/719070314.db2.gz NYNVQPFAUXRSQR-AEFFLSMTSA-N 1 3 323.444 2.036 20 0 DEADHO NCc1cc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ncn1 ZINC001164626022 719070319 /nfs/dbraw/zinc/07/03/19/719070319.db2.gz NYNVQPFAUXRSQR-AEFFLSMTSA-N 1 3 323.444 2.036 20 0 DEADHO CN(Cc1ccc(N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)nc1)C1CC1 ZINC001164624834 719123960 /nfs/dbraw/zinc/12/39/60/719123960.db2.gz WLEMBOMBERIOOG-HOCLYGCPSA-N 1 3 318.440 2.189 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CC1CCC(C)CC1)N(C)C ZINC001406371170 1164557283 /nfs/dbraw/zinc/55/72/83/1164557283.db2.gz VPYKTGOATALKBN-MYBQVCMBSA-N 1 3 311.514 2.493 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](N[C@H](C)c2ccccc2F)C1 ZINC001370543962 1149807556 /nfs/dbraw/zinc/80/75/56/1149807556.db2.gz PIYBZSGQXFZKAP-RBSFLKMASA-N 1 3 321.440 2.465 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](N[C@H](C)c2ccccc2F)C1 ZINC001370543962 1149807557 /nfs/dbraw/zinc/80/75/57/1149807557.db2.gz PIYBZSGQXFZKAP-RBSFLKMASA-N 1 3 321.440 2.465 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(C)cc1)N(C)C ZINC001406612109 1164729847 /nfs/dbraw/zinc/72/98/47/1164729847.db2.gz GNWILGLOTSGOHK-DOTOQJQBSA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(C)cc1)N(C)C ZINC001406612109 1164729852 /nfs/dbraw/zinc/72/98/52/1164729852.db2.gz GNWILGLOTSGOHK-DOTOQJQBSA-N 1 3 305.466 2.272 20 0 DEADHO C[N@H+](CC1CC1)C[C@@H]1CCCCN1C(=O)CN1CCC(C)(C)C1 ZINC001089226659 782292791 /nfs/dbraw/zinc/29/27/91/782292791.db2.gz JZEVLHMSIOHABO-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO C[N@@H+](CC1CC1)C[C@@H]1CCCCN1C(=O)CN1CCC(C)(C)C1 ZINC001089226659 782292796 /nfs/dbraw/zinc/29/27/96/782292796.db2.gz JZEVLHMSIOHABO-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C[NH2+]CC1CC1 ZINC001407528371 1165183267 /nfs/dbraw/zinc/18/32/67/1165183267.db2.gz DFHMQDBJBXQTBZ-ZBFHGGJFSA-N 1 3 309.498 2.058 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](CNCCF)C(C)(C)C)[NH+]1CCCC1 ZINC001332897956 1149919394 /nfs/dbraw/zinc/91/93/94/1149919394.db2.gz FNGPCWPTUWNMIK-HUUCEWRRSA-N 1 3 315.477 2.197 20 0 DEADHO CC(C)(C(=O)NCC1([NH2+]CC2CC2)CCC1)N1CCCCC1 ZINC001407774267 1165301782 /nfs/dbraw/zinc/30/17/82/1165301782.db2.gz BCSMAKNXGQOJMA-UHFFFAOYSA-N 1 3 307.482 2.289 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]C/C=C/Cl)[C@H](C)C1)N(C)C ZINC001106282109 782613387 /nfs/dbraw/zinc/61/33/87/782613387.db2.gz UTAUBTJPLBZSOC-AZDQDMGWSA-N 1 3 315.889 2.009 20 0 DEADHO CCC[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC(C)(C)C1 ZINC001089548926 783198668 /nfs/dbraw/zinc/19/86/68/783198668.db2.gz QNFHJZVRHLFUCL-AWEZNQCLSA-N 1 3 306.454 2.277 20 0 DEADHO CCC[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC(C)(C)C1 ZINC001089548926 783198676 /nfs/dbraw/zinc/19/86/76/783198676.db2.gz QNFHJZVRHLFUCL-AWEZNQCLSA-N 1 3 306.454 2.277 20 0 DEADHO CC(C)[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001075344557 776586160 /nfs/dbraw/zinc/58/61/60/776586160.db2.gz PKPTVLXXLCQNRL-IRXDYDNUSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@@H](F)C[NH2+]CC1(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001167225209 776781924 /nfs/dbraw/zinc/78/19/24/776781924.db2.gz QNDCJDYQLIKUPY-LSDHHAIUSA-N 1 3 313.461 2.095 20 0 DEADHO CC1(C)CCN(CC(=O)NCCC2(C[NH2+]CC3CC3)CC2)C1 ZINC001167237143 776787991 /nfs/dbraw/zinc/78/79/91/776787991.db2.gz VSZGXYKWCDLULR-UHFFFAOYSA-N 1 3 307.482 2.004 20 0 DEADHO CC(C)C[NH2+]CC1(CCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001167240768 776791902 /nfs/dbraw/zinc/79/19/02/776791902.db2.gz RZMAGVCLZOUENQ-UHFFFAOYSA-N 1 3 311.514 2.496 20 0 DEADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CCC1CC1 ZINC001104291062 776948644 /nfs/dbraw/zinc/94/86/44/776948644.db2.gz IDUYFWFZRGCJMA-OLMNPRSZSA-N 1 3 321.509 2.201 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CCF)CC1 ZINC001167385667 776980024 /nfs/dbraw/zinc/98/00/24/776980024.db2.gz NIZMMRARVXEIAA-OAHLLOKOSA-N 1 3 313.461 2.095 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCC2)C1)N(C)C ZINC001104348598 777095797 /nfs/dbraw/zinc/09/57/97/777095797.db2.gz KENKIUBKUONCKU-DJIMGWMZSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@H](F)CN1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111857986 777136110 /nfs/dbraw/zinc/13/61/10/777136110.db2.gz IQQPNPKWLQYPNQ-ZOBUZTSGSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+]CCC(F)(F)F ZINC001167628351 777406444 /nfs/dbraw/zinc/40/64/44/777406444.db2.gz ZNUAUCTXWLPHCD-CYBMUJFWSA-N 1 3 323.403 2.298 20 0 DEADHO CCCC[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001104680481 778017890 /nfs/dbraw/zinc/01/78/90/778017890.db2.gz RDDFNFGDFNXFGC-BRWVUGGUSA-N 1 3 309.498 2.203 20 0 DEADHO CCCN(C)CC(=O)NCCC1(C[NH2+]Cc2ccccc2)CC1 ZINC001167814845 778655163 /nfs/dbraw/zinc/65/51/63/778655163.db2.gz HFMXBVJANQPRIX-UHFFFAOYSA-N 1 3 317.477 2.405 20 0 DEADHO N=C(N)N(c1ccc(F)cc1)c1ccc2c(C3C[NH2+]C3)ncn2c1 ZINC001167993390 779210822 /nfs/dbraw/zinc/21/08/22/779210822.db2.gz WLKNRKSVYTULGP-UHFFFAOYSA-N 1 3 324.363 2.192 20 0 DEADHO N=c1sc2c(n1C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CCNC2 ZINC001167994414 779214174 /nfs/dbraw/zinc/21/41/74/779214174.db2.gz CVKOPYXMJKKBGB-PBWFPOADSA-N 1 3 318.490 2.253 20 0 DEADHO N=c1sc2c(n1C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CCNC2 ZINC001167994414 779214179 /nfs/dbraw/zinc/21/41/79/779214179.db2.gz CVKOPYXMJKKBGB-PBWFPOADSA-N 1 3 318.490 2.253 20 0 DEADHO C[C@@H]1CC(NCCOCCO)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168006562 779275655 /nfs/dbraw/zinc/27/56/55/779275655.db2.gz NPKJOBVQDKPRTQ-HZPDHXFCSA-N 1 3 306.450 2.027 20 0 DEADHO C[C@H]1CC(NC[C@H]2CCC(=O)N2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168012895 779319536 /nfs/dbraw/zinc/31/95/36/779319536.db2.gz FQXHBUFOOAJVJG-YQQAZPJKSA-N 1 3 315.461 2.296 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]2C1 ZINC001088002795 779627253 /nfs/dbraw/zinc/62/72/53/779627253.db2.gz UIPUELPBXMMDDM-SQNIBIBYSA-N 1 3 321.509 2.319 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]2C1 ZINC001088002795 779627259 /nfs/dbraw/zinc/62/72/59/779627259.db2.gz UIPUELPBXMMDDM-SQNIBIBYSA-N 1 3 321.509 2.319 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](C(C)C)CC[C@@H]2C1 ZINC001088212773 779775479 /nfs/dbraw/zinc/77/54/79/779775479.db2.gz OTUADHLJXQTGJI-IXDOHACOSA-N 1 3 307.482 2.050 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](C(C)C)CC[C@@H]2C1 ZINC001088212773 779775485 /nfs/dbraw/zinc/77/54/85/779775485.db2.gz OTUADHLJXQTGJI-IXDOHACOSA-N 1 3 307.482 2.050 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCCCC[C@H](NCCF)C1 ZINC001088330414 779971835 /nfs/dbraw/zinc/97/18/35/779971835.db2.gz YPPCHECFUKJCKL-JKSUJKDBSA-N 1 3 313.461 2.191 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCCCC[C@H](NCCF)C1 ZINC001088330414 779971840 /nfs/dbraw/zinc/97/18/40/779971840.db2.gz YPPCHECFUKJCKL-JKSUJKDBSA-N 1 3 313.461 2.191 20 0 DEADHO CCCN1C[C@@H]2C[N@H+]([C@H]3Cc4ccc(OC)cc4C3)C[C@@H]2C1 ZINC001168281969 780769967 /nfs/dbraw/zinc/76/99/67/780769967.db2.gz CIPIXRGFQAYNKT-KSZLIROESA-N 1 3 300.446 2.436 20 0 DEADHO CCCN1C[C@@H]2C[N@@H+]([C@H]3Cc4ccc(OC)cc4C3)C[C@@H]2C1 ZINC001168281969 780769972 /nfs/dbraw/zinc/76/99/72/780769972.db2.gz CIPIXRGFQAYNKT-KSZLIROESA-N 1 3 300.446 2.436 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001076083663 781112034 /nfs/dbraw/zinc/11/20/34/781112034.db2.gz MDLKKYAVPVWZCK-RCCFBDPRSA-N 1 3 319.493 2.050 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001076083663 781112041 /nfs/dbraw/zinc/11/20/41/781112041.db2.gz MDLKKYAVPVWZCK-RCCFBDPRSA-N 1 3 319.493 2.050 20 0 DEADHO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ncc4c(n3)CNCC4)c2c1 ZINC001171165786 790870003 /nfs/dbraw/zinc/87/00/03/790870003.db2.gz QMADIVDVBMAXQC-ZDUSSCGKSA-N 1 3 321.428 2.264 20 0 DEADHO CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC000948066025 783308030 /nfs/dbraw/zinc/30/80/30/783308030.db2.gz MADZONKIOQNVSV-GOEBONIOSA-N 1 3 303.450 2.351 20 0 DEADHO CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC000948066025 783308040 /nfs/dbraw/zinc/30/80/40/783308040.db2.gz MADZONKIOQNVSV-GOEBONIOSA-N 1 3 303.450 2.351 20 0 DEADHO CN(C[C@H]1CCN1CCCC1CCC1)C(=O)C1CC[NH+](C)CC1 ZINC001085798942 784096341 /nfs/dbraw/zinc/09/63/41/784096341.db2.gz DYRQAIIXXFDSRO-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)N1CC[C@@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085918250 784212057 /nfs/dbraw/zinc/21/20/57/784212057.db2.gz YIBITATZVYYJMS-QGZVFWFLSA-N 1 3 307.482 2.050 20 0 DEADHO C[C@@H]1CC[N@H+](Cc2ccsc2)C[C@@H]1NC(=O)CN1CCCC1 ZINC000968651693 784521735 /nfs/dbraw/zinc/52/17/35/784521735.db2.gz LVSGOECZRHKMAM-ZBFHGGJFSA-N 1 3 321.490 2.171 20 0 DEADHO C[C@@H]1CC[N@@H+](Cc2ccsc2)C[C@@H]1NC(=O)CN1CCCC1 ZINC000968651693 784521741 /nfs/dbraw/zinc/52/17/41/784521741.db2.gz LVSGOECZRHKMAM-ZBFHGGJFSA-N 1 3 321.490 2.171 20 0 DEADHO CC(C)(C(=O)N1CC[C@@H]([NH2+]CCC2CC2)C1)N1CCCCC1 ZINC000968672744 784533090 /nfs/dbraw/zinc/53/30/90/784533090.db2.gz MIWVGAZWLAQHME-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2)C1)N(C)C ZINC000969074595 784716906 /nfs/dbraw/zinc/71/69/06/784716906.db2.gz KIXJRDWSTOPCTA-IAGOWNOFSA-N 1 3 303.450 2.026 20 0 DEADHO C[C@H]1C[C@@H]([NH+]2CCC3(CN(C)C3)CC2)CN1C(=O)OC(C)(C)C ZINC001168870712 784945124 /nfs/dbraw/zinc/94/51/24/784945124.db2.gz FIDYDYCUTNZBSD-LSDHHAIUSA-N 1 3 323.481 2.412 20 0 DEADHO COc1cccc([C@@H](CCO)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC001169094004 785031192 /nfs/dbraw/zinc/03/11/92/785031192.db2.gz JZRRZDVRJYDVMF-XLMAVXFVSA-N 1 3 304.434 2.334 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCNC(=O)Nc1ccccc1)C2 ZINC001169099517 785033476 /nfs/dbraw/zinc/03/34/76/785033476.db2.gz ADVRWSSQNHOANN-MUJYYYPQSA-N 1 3 302.422 2.023 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC(NC(=O)C(C)(C)C)CC1)C2 ZINC001169155085 785067869 /nfs/dbraw/zinc/06/78/69/785067869.db2.gz XOWFHPNKVZNMKK-ZSHCYNCHSA-N 1 3 307.482 2.238 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC(NC(=O)C(C)(C)C)CC1)C2 ZINC001169155085 785067872 /nfs/dbraw/zinc/06/78/72/785067872.db2.gz XOWFHPNKVZNMKK-ZSHCYNCHSA-N 1 3 307.482 2.238 20 0 DEADHO COC(=O)[C@H]1C[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3C)Cc2ccccc21 ZINC001169155768 785072732 /nfs/dbraw/zinc/07/27/32/785072732.db2.gz UNRITMXWXVOJHC-DFGXFYAUSA-N 1 3 314.429 2.384 20 0 DEADHO COC(=O)[C@H]1C[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3C)Cc2ccccc21 ZINC001169155768 785072740 /nfs/dbraw/zinc/07/27/40/785072740.db2.gz UNRITMXWXVOJHC-DFGXFYAUSA-N 1 3 314.429 2.384 20 0 DEADHO CCCN1CCC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001008505673 785224814 /nfs/dbraw/zinc/22/48/14/785224814.db2.gz BRXBQXXPIVLTDV-WMLDXEAASA-N 1 3 313.461 2.190 20 0 DEADHO CCCN1CCC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001008505673 785224818 /nfs/dbraw/zinc/22/48/18/785224818.db2.gz BRXBQXXPIVLTDV-WMLDXEAASA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)=CCN1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001008761142 785297210 /nfs/dbraw/zinc/29/72/10/785297210.db2.gz MSEVBMLFDLBFOX-QGZVFWFLSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)(N)C(C)(C)[NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169749422 785336230 /nfs/dbraw/zinc/33/62/30/785336230.db2.gz XUSVGTDHQVJBQX-HNNXBMFYSA-N 1 3 303.450 2.397 20 0 DEADHO Cc1ccccc1CCC[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129363563 785536072 /nfs/dbraw/zinc/53/60/72/785536072.db2.gz JTYPTUYTYKEOCZ-UHFFFAOYSA-N 1 3 317.477 2.118 20 0 DEADHO CN(C)C1(C(=O)NCC[NH2+][C@@H]2CCc3ccc(F)cc32)CCC1 ZINC001129364144 785541234 /nfs/dbraw/zinc/54/12/34/785541234.db2.gz PYYXXQAKTVLBOF-MRXNPFEDSA-N 1 3 319.424 2.003 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@H]2C[C@H]([NH2+]CC3CC3)C2)c1 ZINC001086557876 786217589 /nfs/dbraw/zinc/21/75/89/786217589.db2.gz JLNFBLZOFAYXIT-SAABIXHNSA-N 1 3 315.461 2.256 20 0 DEADHO CN(CC(=O)NCC[NH2+][C@@H]1CCc2ccc(F)cc21)C1CCC1 ZINC001129535457 787225333 /nfs/dbraw/zinc/22/53/33/787225333.db2.gz SJKREQSTSWMGLR-QGZVFWFLSA-N 1 3 319.424 2.003 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[NH2+]CC[C@@H]1CCCC1(F)F)N(C)C ZINC001129949419 787262266 /nfs/dbraw/zinc/26/22/66/787262266.db2.gz CYMVDPLXJGSOKA-KBPBESRZSA-N 1 3 319.440 2.104 20 0 DEADHO CC[C@@H](F)CNCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001130622349 787444596 /nfs/dbraw/zinc/44/45/96/787444596.db2.gz FCBQPDFDGPWDHZ-CYBMUJFWSA-N 1 3 301.450 2.093 20 0 DEADHO CC[C@@H](F)CNCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001130622349 787444597 /nfs/dbraw/zinc/44/45/97/787444597.db2.gz FCBQPDFDGPWDHZ-CYBMUJFWSA-N 1 3 301.450 2.093 20 0 DEADHO C[C@@H](Nc1ccc(SC2CC[NH2+]CC2)cc1)[C@@H]1CNCCO1 ZINC001170574356 787662517 /nfs/dbraw/zinc/66/25/17/787662517.db2.gz NDWJKLRWBHOMCG-DYVFJYSZSA-N 1 3 321.490 2.320 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCF ZINC001158473008 787777234 /nfs/dbraw/zinc/77/72/34/787777234.db2.gz IWEJFKVVFJUQGA-JKSUJKDBSA-N 1 3 313.461 2.143 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCF ZINC001158473008 787777237 /nfs/dbraw/zinc/77/72/37/787777237.db2.gz IWEJFKVVFJUQGA-JKSUJKDBSA-N 1 3 313.461 2.143 20 0 DEADHO CCN1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001132202536 787972684 /nfs/dbraw/zinc/97/26/84/787972684.db2.gz IHEOINOWBBAPAU-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1C ZINC001132894225 788221006 /nfs/dbraw/zinc/22/10/06/788221006.db2.gz ZHOPMKFYKOYQRD-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO CCCCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C ZINC001133135101 788291342 /nfs/dbraw/zinc/29/13/42/788291342.db2.gz LOCCYDSZJXZZAH-CABCVRRESA-N 1 3 306.454 2.217 20 0 DEADHO COc1cccc([C@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001133433903 788428623 /nfs/dbraw/zinc/42/86/23/788428623.db2.gz CVTWOWNKFPZGSD-WMLDXEAASA-N 1 3 321.465 2.048 20 0 DEADHO Cc1cccc(Cl)c1CNCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133823829 788624046 /nfs/dbraw/zinc/62/40/46/788624046.db2.gz PZFUFBMPDQXHKC-CQSZACIVSA-N 1 3 323.868 2.339 20 0 DEADHO Cc1cccc(Cl)c1CNCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133823829 788624048 /nfs/dbraw/zinc/62/40/48/788624048.db2.gz PZFUFBMPDQXHKC-CQSZACIVSA-N 1 3 323.868 2.339 20 0 DEADHO C[C@H]([NH2+]CCNC(=O)CN1CCC[C@@H]1C)c1ccc(F)cc1 ZINC001133834007 788627470 /nfs/dbraw/zinc/62/74/70/788627470.db2.gz LNFBJQAXZVIMKS-KBPBESRZSA-N 1 3 307.413 2.077 20 0 DEADHO CC(C)(C)N1CC[C@](F)(C(=O)NCC[NH2+]Cc2ccccc2)C1 ZINC001133851155 788632570 /nfs/dbraw/zinc/63/25/70/788632570.db2.gz XWDDWBNIOAHGOK-GOSISDBHSA-N 1 3 321.440 2.105 20 0 DEADHO CCC(CC)C[NH2+]CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001133856227 788640666 /nfs/dbraw/zinc/64/06/66/788640666.db2.gz BDKSYSJMQSJRGJ-KRWDZBQOSA-N 1 3 315.477 2.341 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[NH2+][C@H]2CCCc3ccccc32)C1 ZINC001133850080 788641210 /nfs/dbraw/zinc/64/12/10/788641210.db2.gz IPXXFQBPRXVAKX-YJBOKZPZSA-N 1 3 315.461 2.112 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+]CCCCCF ZINC001134766845 789069521 /nfs/dbraw/zinc/06/95/21/789069521.db2.gz NOBWRNJGHNEXMF-HNNXBMFYSA-N 1 3 301.450 2.095 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCCCOC ZINC001135980636 789581375 /nfs/dbraw/zinc/58/13/75/789581375.db2.gz QXZONVSVEXXOQP-HZPDHXFCSA-N 1 3 315.502 2.018 20 0 DEADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)[C@H]2C)cs1 ZINC001074565097 791233738 /nfs/dbraw/zinc/23/37/38/791233738.db2.gz SQXARTGAKHSZRD-CWRNSKLLSA-N 1 3 321.490 2.230 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)[C@@H]1C)N(C)C ZINC001074709738 791270081 /nfs/dbraw/zinc/27/00/81/791270081.db2.gz OOYGRJLJNROYBP-CWRNSKLLSA-N 1 3 309.498 2.342 20 0 DEADHO CC[N@H+](C)CCC(=O)NCCNCc1ccccc1OC(C)C ZINC001146719248 791349333 /nfs/dbraw/zinc/34/93/33/791349333.db2.gz MUQBNTJFJDQPRJ-UHFFFAOYSA-N 1 3 321.465 2.021 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCCNCc1ccccc1OC(C)C ZINC001146719248 791349341 /nfs/dbraw/zinc/34/93/41/791349341.db2.gz MUQBNTJFJDQPRJ-UHFFFAOYSA-N 1 3 321.465 2.021 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCc2cccs2)[C@@H]1C)N(C)C ZINC001074885781 791369130 /nfs/dbraw/zinc/36/91/30/791369130.db2.gz XAGCNMPAVYKJOY-BPUTZDHNSA-N 1 3 323.506 2.210 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)[C@@H]1C)N(C)C ZINC001074890743 791372430 /nfs/dbraw/zinc/37/24/30/791372430.db2.gz AIFYBQKUOXOPOU-XIRDDKMYSA-N 1 3 307.482 2.406 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CC2CCC(C)CC2)CCN1C(=O)CN1CCCC1 ZINC001075111002 791467328 /nfs/dbraw/zinc/46/73/28/791467328.db2.gz YVSONBHWWAVVAX-IKJBURDNSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[NH2+]CCC1CCCCCC1 ZINC001149124587 791558000 /nfs/dbraw/zinc/55/80/00/791558000.db2.gz VUXCEIOBPPAEOU-UHFFFAOYSA-N 1 3 306.454 2.327 20 0 DEADHO CC/C=C\CC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001147748313 791616256 /nfs/dbraw/zinc/61/62/56/791616256.db2.gz LYJOPZZXPUVRGH-QWPQOLDESA-N 1 3 321.509 2.463 20 0 DEADHO CC/C=C\CC[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001147748313 791616260 /nfs/dbraw/zinc/61/62/60/791616260.db2.gz LYJOPZZXPUVRGH-QWPQOLDESA-N 1 3 321.509 2.463 20 0 DEADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCNCc2ccc(F)cc2)C1 ZINC001147825787 791631626 /nfs/dbraw/zinc/63/16/26/791631626.db2.gz RMDBSXGLLSEUEA-WBVHZDCISA-N 1 3 321.440 2.152 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC001148642691 791780181 /nfs/dbraw/zinc/78/01/81/791780181.db2.gz LBIJJPRSIQNLLA-MRXNPFEDSA-N 1 3 305.466 2.412 20 0 DEADHO CN(CC(=O)N1C[C@H]2C[N@H+](CC3CCC3)C[C@@]2(C)C1)C1CCC1 ZINC001091740637 791785081 /nfs/dbraw/zinc/78/50/81/791785081.db2.gz ADHKUCONECVLTL-APWZRJJASA-N 1 3 319.493 2.051 20 0 DEADHO CN(CC(=O)N1C[C@H]2C[N@@H+](CC3CCC3)C[C@@]2(C)C1)C1CCC1 ZINC001091740637 791785086 /nfs/dbraw/zinc/78/50/86/791785086.db2.gz ADHKUCONECVLTL-APWZRJJASA-N 1 3 319.493 2.051 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001148638681 791787031 /nfs/dbraw/zinc/78/70/31/791787031.db2.gz MXUKYPQTRQSPND-ZDUSSCGKSA-N 1 3 311.857 2.449 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C ZINC001092603011 792080112 /nfs/dbraw/zinc/08/01/12/792080112.db2.gz QYVKRYGHOZDSON-NXHRZFHOSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C ZINC001092603011 792080128 /nfs/dbraw/zinc/08/01/28/792080128.db2.gz QYVKRYGHOZDSON-NXHRZFHOSA-N 1 3 321.509 2.343 20 0 DEADHO CCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)[C@H](C)C1 ZINC001092602694 792080318 /nfs/dbraw/zinc/08/03/18/792080318.db2.gz KWCYFOBZQZKBRN-ZACQAIPSSA-N 1 3 309.498 2.343 20 0 DEADHO CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)[C@H](C)C1 ZINC001092602694 792080330 /nfs/dbraw/zinc/08/03/30/792080330.db2.gz KWCYFOBZQZKBRN-ZACQAIPSSA-N 1 3 309.498 2.343 20 0 DEADHO CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)[C@H](C)C1 ZINC001093024988 792205037 /nfs/dbraw/zinc/20/50/37/792205037.db2.gz MBKLLBKUVUHAHI-ZACQAIPSSA-N 1 3 309.498 2.343 20 0 DEADHO CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)[C@H](C)C1 ZINC001093024988 792205046 /nfs/dbraw/zinc/20/50/46/792205046.db2.gz MBKLLBKUVUHAHI-ZACQAIPSSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)NCC1CC([NH2+]CCc2cccs2)C1)N(C)C ZINC001100443544 792656542 /nfs/dbraw/zinc/65/65/42/792656542.db2.gz MTZQQUYNJITKNU-ZBCRRDGASA-N 1 3 323.506 2.115 20 0 DEADHO C[C@@H](NC1CC(CNC(=O)CC[NH+](C)C)C1)c1ccccc1F ZINC001100638701 792761040 /nfs/dbraw/zinc/76/10/40/792761040.db2.gz ZETGFJZWERDPSO-WLYUNCDWSA-N 1 3 321.440 2.323 20 0 DEADHO CC/C=C\CC[NH2+]C1CC(CNC(=O)CN2CCC[C@@H]2C)C1 ZINC001100676366 792783089 /nfs/dbraw/zinc/78/30/89/792783089.db2.gz MHBNZCQFAQAPHX-PWCOQUBGSA-N 1 3 307.482 2.311 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+]C1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001101036396 792978267 /nfs/dbraw/zinc/97/82/67/792978267.db2.gz PPMAMEFYOYKJGU-KLAILNCOSA-N 1 3 311.514 2.493 20 0 DEADHO CC(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N1CCCC1)C2 ZINC001110161529 793054339 /nfs/dbraw/zinc/05/43/39/793054339.db2.gz IFGVZZVVGHHJKI-VSZNYVQBSA-N 1 3 321.509 2.484 20 0 DEADHO CC(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N1CCCC1)C2 ZINC001110161529 793054346 /nfs/dbraw/zinc/05/43/46/793054346.db2.gz IFGVZZVVGHHJKI-VSZNYVQBSA-N 1 3 321.509 2.484 20 0 DEADHO [NH3+]CCCCN1CCN([C@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171473030 793105901 /nfs/dbraw/zinc/10/59/01/793105901.db2.gz OUNXAESFILRWAS-INIZCTEOSA-N 1 3 323.431 2.179 20 0 DEADHO CN1C(C)(C)CC([N@@H+]2CCC[C@]3(CNC(=O)O3)C2)CC1(C)C ZINC001171639404 793173204 /nfs/dbraw/zinc/17/32/04/793173204.db2.gz IWQKIIXEYVFGNB-KRWDZBQOSA-N 1 3 309.454 2.212 20 0 DEADHO CN1C(C)(C)CC([N@H+]2CCC[C@]3(CNC(=O)O3)C2)CC1(C)C ZINC001171639404 793173206 /nfs/dbraw/zinc/17/32/06/793173206.db2.gz IWQKIIXEYVFGNB-KRWDZBQOSA-N 1 3 309.454 2.212 20 0 DEADHO CNC(=O)CCN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984919 793289048 /nfs/dbraw/zinc/28/90/48/793289048.db2.gz QLBTWLGKXRGHBC-QGZVFWFLSA-N 1 3 317.477 2.498 20 0 DEADHO CNC(=O)CCN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984919 793289052 /nfs/dbraw/zinc/28/90/52/793289052.db2.gz QLBTWLGKXRGHBC-QGZVFWFLSA-N 1 3 317.477 2.498 20 0 DEADHO O=C1C[C@H]([N@@H+]2CCCC[C@H]2CCN2CCCC2)CCN1C1CC1 ZINC001172023858 793292982 /nfs/dbraw/zinc/29/29/82/793292982.db2.gz YKLTZFYLTFLBJG-FUHWJXTLSA-N 1 3 319.493 2.480 20 0 DEADHO O=C1C[C@H]([N@H+]2CCCC[C@H]2CCN2CCCC2)CCN1C1CC1 ZINC001172023858 793292984 /nfs/dbraw/zinc/29/29/84/793292984.db2.gz YKLTZFYLTFLBJG-FUHWJXTLSA-N 1 3 319.493 2.480 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H](CCO)c1ccc(N)cc1)C2 ZINC001172114226 793336014 /nfs/dbraw/zinc/33/60/14/793336014.db2.gz MICKAMZVYTXQKM-MHORFTMASA-N 1 3 303.450 2.297 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H](CCO)c1ccc(N)cc1)C2 ZINC001172114226 793336025 /nfs/dbraw/zinc/33/60/25/793336025.db2.gz MICKAMZVYTXQKM-MHORFTMASA-N 1 3 303.450 2.297 20 0 DEADHO C[NH+](C)CC[C@H](N[C@H]1CCN2C(=O)CC[C@@H]2C1)c1ccccc1 ZINC001172145790 793348276 /nfs/dbraw/zinc/34/82/76/793348276.db2.gz HZCVBBZSSSJDDN-KSZLIROESA-N 1 3 315.461 2.422 20 0 DEADHO COCCC[NH+]1CCC(NCCOc2ccccc2OC)CC1 ZINC001172244569 793384123 /nfs/dbraw/zinc/38/41/23/793384123.db2.gz VBKFXRHYOUVMGK-UHFFFAOYSA-N 1 3 322.449 2.165 20 0 DEADHO COCCCN1CCC([N@@H+]2CCC[C@@H]2c2cnccn2)CC1 ZINC001172256510 793390746 /nfs/dbraw/zinc/39/07/46/793390746.db2.gz ZSDMSWGPGUMWDO-QGZVFWFLSA-N 1 3 304.438 2.114 20 0 DEADHO COCCCN1CCC([N@H+]2CCC[C@@H]2c2cnccn2)CC1 ZINC001172256510 793390756 /nfs/dbraw/zinc/39/07/56/793390756.db2.gz ZSDMSWGPGUMWDO-QGZVFWFLSA-N 1 3 304.438 2.114 20 0 DEADHO CC[C@@H](C)OCC[C@@H](C)N(CCC[NH+](C)C)CCC(=O)OC ZINC001172343135 793410564 /nfs/dbraw/zinc/41/05/64/793410564.db2.gz QCOKKIARYXIECO-HZPDHXFCSA-N 1 3 316.486 2.397 20 0 DEADHO Cc1nccn1-c1ccc(CN2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206166680 793448432 /nfs/dbraw/zinc/44/84/32/793448432.db2.gz UGFMLBQDIWATEM-IRXDYDNUSA-N 1 3 302.397 2.442 20 0 DEADHO Cc1nccn1-c1ccccc1CN1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206172948 793474179 /nfs/dbraw/zinc/47/41/79/793474179.db2.gz DBJYLHAAIWPGNF-HZPDHXFCSA-N 1 3 302.397 2.442 20 0 DEADHO [NH3+]CCCCN1CCN([C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172716203 793481218 /nfs/dbraw/zinc/48/12/18/793481218.db2.gz OYXTZPFJCZWYDM-QGZVFWFLSA-N 1 3 307.869 2.164 20 0 DEADHO CCCCC[N@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102047679 793487154 /nfs/dbraw/zinc/48/71/54/793487154.db2.gz PNXVJQRXFCAZQT-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CCCCC[N@@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102047679 793487158 /nfs/dbraw/zinc/48/71/58/793487158.db2.gz PNXVJQRXFCAZQT-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN1C[C@@H]2C[N@H+]([C@@H]3CCC[C@H](C(=O)OC)CC3)C[C@@H]2C1 ZINC001172804977 793512556 /nfs/dbraw/zinc/51/25/56/793512556.db2.gz YBPOVLOUGVTAOI-MWDXBVQZSA-N 1 3 308.466 2.382 20 0 DEADHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3CCC[C@H](C(=O)OC)CC3)C[C@@H]2C1 ZINC001172804977 793512559 /nfs/dbraw/zinc/51/25/59/793512559.db2.gz YBPOVLOUGVTAOI-MWDXBVQZSA-N 1 3 308.466 2.382 20 0 DEADHO CC(C)CC[N@H+]1C[C@@H](CNC(=O)CN2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368022 793587132 /nfs/dbraw/zinc/58/71/32/793587132.db2.gz AODKKGKGBVEINW-IXDOHACOSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)CC[N@@H+]1C[C@@H](CNC(=O)CN2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368022 793587138 /nfs/dbraw/zinc/58/71/38/793587138.db2.gz AODKKGKGBVEINW-IXDOHACOSA-N 1 3 309.498 2.201 20 0 DEADHO CCCN1C[C@@H]2C[N@H+]([C@@H]3COc4cccc(OC)c4C3)C[C@@H]2C1 ZINC001173169091 793630651 /nfs/dbraw/zinc/63/06/51/793630651.db2.gz XAHODYJEDRHBLW-XHSDSOJGSA-N 1 3 316.445 2.272 20 0 DEADHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3COc4cccc(OC)c4C3)C[C@@H]2C1 ZINC001173169091 793630654 /nfs/dbraw/zinc/63/06/54/793630654.db2.gz XAHODYJEDRHBLW-XHSDSOJGSA-N 1 3 316.445 2.272 20 0 DEADHO C[C@@H]1C[N@H+](CC2CC2)C[C@H]1CCNC(=O)CN1CCC(C)(C)C1 ZINC001103438743 794093881 /nfs/dbraw/zinc/09/38/81/794093881.db2.gz ZNNBBAMKNAOWIG-NVXWUHKLSA-N 1 3 321.509 2.203 20 0 DEADHO C[C@@H]1C[N@@H+](CC2CC2)C[C@H]1CCNC(=O)CN1CCC(C)(C)C1 ZINC001103438743 794093887 /nfs/dbraw/zinc/09/38/87/794093887.db2.gz ZNNBBAMKNAOWIG-NVXWUHKLSA-N 1 3 321.509 2.203 20 0 DEADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+](CC2CC(C)C2)C[C@H]1C ZINC001103550388 794140883 /nfs/dbraw/zinc/14/08/83/794140883.db2.gz NGZMVTFRBZFQIW-GPQLOAJWSA-N 1 3 323.525 2.449 20 0 DEADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+](CC2CC(C)C2)C[C@H]1C ZINC001103550388 794140888 /nfs/dbraw/zinc/14/08/88/794140888.db2.gz NGZMVTFRBZFQIW-GPQLOAJWSA-N 1 3 323.525 2.449 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]C/C=C\Cl)N(C)C ZINC001175305693 794177564 /nfs/dbraw/zinc/17/75/64/794177564.db2.gz QISKMEMDOYZNEE-CWCIKPCXSA-N 1 3 303.878 2.344 20 0 DEADHO CC(C)=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001103676950 794186290 /nfs/dbraw/zinc/18/62/90/794186290.db2.gz CBULMGRZSXDTPU-GDBMZVCRSA-N 1 3 318.465 2.301 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001103676950 794186294 /nfs/dbraw/zinc/18/62/94/794186294.db2.gz CBULMGRZSXDTPU-GDBMZVCRSA-N 1 3 318.465 2.301 20 0 DEADHO CC[C@@H](C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001103676980 794187381 /nfs/dbraw/zinc/18/73/81/794187381.db2.gz DMTYTFOTGVVIFT-IIAWOOMASA-N 1 3 320.481 2.381 20 0 DEADHO CC[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001103676980 794187387 /nfs/dbraw/zinc/18/73/87/794187387.db2.gz DMTYTFOTGVVIFT-IIAWOOMASA-N 1 3 320.481 2.381 20 0 DEADHO Cc1nocc1C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C(C)C ZINC001176754131 794497130 /nfs/dbraw/zinc/49/71/30/794497130.db2.gz RJHFPPHPRWRTOX-CQSZACIVSA-N 1 3 324.469 2.088 20 0 DEADHO Cc1cc(C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C(C)C)on1 ZINC001176753669 794497774 /nfs/dbraw/zinc/49/77/74/794497774.db2.gz JZBCTRMCILYBRV-CQSZACIVSA-N 1 3 324.469 2.088 20 0 DEADHO Cc1ncc(C[NH2+]CCCC[C@H](C)NC(=O)CN(C)C(C)C)o1 ZINC001176754172 794497833 /nfs/dbraw/zinc/49/78/33/794497833.db2.gz SKWRTONNPQYEBW-AWEZNQCLSA-N 1 3 324.469 2.088 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176971506 794543164 /nfs/dbraw/zinc/54/31/64/794543164.db2.gz AKZPHXMJOUPAGK-INIZCTEOSA-N 1 3 305.466 2.492 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001176975878 794544467 /nfs/dbraw/zinc/54/44/67/794544467.db2.gz YTZNCHWIXBKDMD-LBPRGKRZSA-N 1 3 324.296 2.006 20 0 DEADHO Cc1cc(C)cc(C[NH2+]CCCNC(=O)CN(C)C(C)C)c1 ZINC001176980582 794547096 /nfs/dbraw/zinc/54/70/96/794547096.db2.gz LCOAGYTVJCUDOJ-UHFFFAOYSA-N 1 3 305.466 2.240 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3ccccc3)C[C@H]21 ZINC001115152444 794691211 /nfs/dbraw/zinc/69/12/11/794691211.db2.gz ULDRPKZUBZKXAO-ITQYTPKQSA-N 1 3 315.461 2.136 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3ccccc3)C[C@H]21 ZINC001115152444 794691215 /nfs/dbraw/zinc/69/12/15/794691215.db2.gz ULDRPKZUBZKXAO-ITQYTPKQSA-N 1 3 315.461 2.136 20 0 DEADHO CN(C)[C@@H](C(=O)NCCCCCC[NH2+]C/C=C/Cl)C1CC1 ZINC001178698840 794980335 /nfs/dbraw/zinc/98/03/35/794980335.db2.gz WMTSAUXDVAMRJX-JOZWUWCOSA-N 1 3 315.889 2.345 20 0 DEADHO CCN(CC)CC(=O)NCCCCCC[NH2+]CCCCOC ZINC001179850811 795188136 /nfs/dbraw/zinc/18/81/36/795188136.db2.gz MPLKIKHKACKYMO-UHFFFAOYSA-N 1 3 315.502 2.021 20 0 DEADHO CC[C@H](C[NH2+]CCCCCCNC(=O)CN(CC)CC)OC ZINC001179850827 795188566 /nfs/dbraw/zinc/18/85/66/795188566.db2.gz NFLRDEBFVUFUKX-MRXNPFEDSA-N 1 3 315.502 2.019 20 0 DEADHO C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(Nc2ccncc2)cc1 ZINC001179965386 795221700 /nfs/dbraw/zinc/22/17/00/795221700.db2.gz QJBAZCVVNAGFRQ-SFHVURJKSA-N 1 3 324.428 2.461 20 0 DEADHO C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(Nc2ccncc2)cc1 ZINC001179965386 795221704 /nfs/dbraw/zinc/22/17/04/795221704.db2.gz QJBAZCVVNAGFRQ-SFHVURJKSA-N 1 3 324.428 2.461 20 0 DEADHO CN(CC(=O)N1CCC2(CC1)CC[NH+](C)CC2)C1CCCC1 ZINC001180629505 795345342 /nfs/dbraw/zinc/34/53/42/795345342.db2.gz XGYIDTJYRPWUGE-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CC2CC2)C1 ZINC001120448739 795462080 /nfs/dbraw/zinc/46/20/80/795462080.db2.gz FOJDYNABZRSYEL-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CC2CC2)C1 ZINC001120448739 795462086 /nfs/dbraw/zinc/46/20/86/795462086.db2.gz FOJDYNABZRSYEL-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CC[C@@H](C)F)C2)N(C)C ZINC001121798596 795689135 /nfs/dbraw/zinc/68/91/35/795689135.db2.gz QWBHDESVKOQSKR-BJOWLINFSA-N 1 3 313.461 2.092 20 0 DEADHO CCN(CC)CC(=O)NC1CC2(C1)CC([NH2+]CC[C@H](C)F)C2 ZINC001121935123 795706916 /nfs/dbraw/zinc/70/69/16/795706916.db2.gz IEMPZHPWZGJNPY-DPGVGJJJSA-N 1 3 313.461 2.093 20 0 DEADHO CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)CN(C)C(C)C)C2)C1 ZINC001122243011 795739136 /nfs/dbraw/zinc/73/91/36/795739136.db2.gz VVHGGVLFZYHCRG-JFPDKAJLSA-N 1 3 309.498 2.390 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC([NH3+])(c2ccc(F)cc2)CC1)N(C)C ZINC001183366779 795866517 /nfs/dbraw/zinc/86/65/17/795866517.db2.gz YGUVBWDOHXBICM-MRXNPFEDSA-N 1 3 321.440 2.188 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1C[NH2+]CC1CC1 ZINC001185171480 796201821 /nfs/dbraw/zinc/20/18/21/796201821.db2.gz WLBCHPYNWXYAPW-DOTOQJQBSA-N 1 3 323.525 2.449 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]C/C=C\Cl)[C@@H](C)C1 ZINC001185551262 796280501 /nfs/dbraw/zinc/28/05/01/796280501.db2.gz YRAVUSYMFFKCHH-RUCLMCIISA-N 1 3 315.889 2.155 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001186458175 796408794 /nfs/dbraw/zinc/40/87/94/796408794.db2.gz HFBGNNBXBVPKNK-MRXNPFEDSA-N 1 3 323.868 2.372 20 0 DEADHO CN1CC[C@@]2(CC[N@H+](Cc3cc(=O)n(C)c4ccccc34)C2)C1 ZINC001139759751 796422281 /nfs/dbraw/zinc/42/22/81/796422281.db2.gz CDAFXRSOBPMWJM-LJQANCHMSA-N 1 3 311.429 2.066 20 0 DEADHO CN1CC[C@@]2(CC[N@@H+](Cc3cc(=O)n(C)c4ccccc34)C2)C1 ZINC001139759751 796422284 /nfs/dbraw/zinc/42/22/84/796422284.db2.gz CDAFXRSOBPMWJM-LJQANCHMSA-N 1 3 311.429 2.066 20 0 DEADHO C[C@@H](F)CC[NH2+][C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001188118094 796628611 /nfs/dbraw/zinc/62/86/11/796628611.db2.gz HBOWXFDKTMYWBV-GDBMZVCRSA-N 1 3 321.440 2.300 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H](NC/C=C/Cl)C1)[NH+]1CCCC1 ZINC001188139608 796631663 /nfs/dbraw/zinc/63/16/63/796631663.db2.gz PWHKHCIGVCSJTI-IPKOWEFYSA-N 1 3 313.873 2.050 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCC3CC3)C[C@H]21)N(CC)CC ZINC001189109982 796764464 /nfs/dbraw/zinc/76/44/64/796764464.db2.gz HVGOQHLYEJTQJV-OKZBNKHCSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CCC3CC3)C[C@H]21)N(CC)CC ZINC001189109982 796764465 /nfs/dbraw/zinc/76/44/65/796764465.db2.gz HVGOQHLYEJTQJV-OKZBNKHCSA-N 1 3 321.509 2.440 20 0 DEADHO CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001190656570 797049004 /nfs/dbraw/zinc/04/90/04/797049004.db2.gz VHHHSKHLYPLFDE-DLBZAZTESA-N 1 3 309.498 2.296 20 0 DEADHO CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001190656570 797049011 /nfs/dbraw/zinc/04/90/11/797049011.db2.gz VHHHSKHLYPLFDE-DLBZAZTESA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)N(C)CC(=O)NCC[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001152433240 797186555 /nfs/dbraw/zinc/18/65/55/797186555.db2.gz ZDUCHEPFFPBUNK-KRWDZBQOSA-N 1 3 317.477 2.153 20 0 DEADHO [NH3+]C[C@]1(F)CCCN(Cc2cc(F)cc3c2OCOC3)CC1 ZINC001205570396 797250407 /nfs/dbraw/zinc/25/04/07/797250407.db2.gz JUMRKTUYXFARRL-INIZCTEOSA-N 1 3 312.360 2.345 20 0 DEADHO CC[N@H+](CCCF)[C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001153312576 797320179 /nfs/dbraw/zinc/32/01/79/797320179.db2.gz LIEQQPXJPXDIJP-CABCVRRESA-N 1 3 301.450 2.045 20 0 DEADHO CC[N@@H+](CCCF)[C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001153312576 797320186 /nfs/dbraw/zinc/32/01/86/797320186.db2.gz LIEQQPXJPXDIJP-CABCVRRESA-N 1 3 301.450 2.045 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([N@H+](C)CCCC3CCC3)C2)C1 ZINC001192355695 797372354 /nfs/dbraw/zinc/37/23/54/797372354.db2.gz SNEZNXOUJJQOQA-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CCCC3CCC3)C2)C1 ZINC001192355695 797372363 /nfs/dbraw/zinc/37/23/63/797372363.db2.gz SNEZNXOUJJQOQA-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)=CC[N@@H+](C)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001192407532 797386177 /nfs/dbraw/zinc/38/61/77/797386177.db2.gz WECLALJJOJWOSR-INIZCTEOSA-N 1 3 309.498 2.463 20 0 DEADHO CC(C)=CC[N@H+](C)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001192407532 797386184 /nfs/dbraw/zinc/38/61/84/797386184.db2.gz WECLALJJOJWOSR-INIZCTEOSA-N 1 3 309.498 2.463 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC001192970838 797484073 /nfs/dbraw/zinc/48/40/73/797484073.db2.gz YYBCCUQFQRBQMG-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001192970838 797484076 /nfs/dbraw/zinc/48/40/76/797484076.db2.gz YYBCCUQFQRBQMG-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)=CC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193026503 797492285 /nfs/dbraw/zinc/49/22/85/797492285.db2.gz KAIYCOQENUTVEP-QGZVFWFLSA-N 1 3 307.482 2.217 20 0 DEADHO CC(C)=CC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193026503 797492286 /nfs/dbraw/zinc/49/22/86/797492286.db2.gz KAIYCOQENUTVEP-QGZVFWFLSA-N 1 3 307.482 2.217 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2C)C1 ZINC001193630068 797596770 /nfs/dbraw/zinc/59/67/70/797596770.db2.gz BYWMXKVBBYCWOQ-SFHVURJKSA-N 1 3 317.477 2.370 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2C)C1 ZINC001193630068 797596774 /nfs/dbraw/zinc/59/67/74/797596774.db2.gz BYWMXKVBBYCWOQ-SFHVURJKSA-N 1 3 317.477 2.370 20 0 DEADHO Cc1nc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)cc(N2CCCC2)n1 ZINC001155020850 797661870 /nfs/dbraw/zinc/66/18/70/797661870.db2.gz PMECWFVAFBTADO-ZFWWWQNUSA-N 1 3 303.454 2.433 20 0 DEADHO CCN(CC)CC(=O)N1CCC(C[NH2+]Cc2ccccc2)CC1 ZINC001206653971 797709112 /nfs/dbraw/zinc/70/91/12/797709112.db2.gz QLXOVVZZJBVMEM-UHFFFAOYSA-N 1 3 317.477 2.357 20 0 DEADHO C[C@@H]1[C@H](C(=O)N2CCCN(CCCCCF)CC2)CC[N@@H+]1C ZINC001195894090 797976682 /nfs/dbraw/zinc/97/66/82/797976682.db2.gz QCAUKZQKEAROAO-HZPDHXFCSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@@H]1[C@H](C(=O)N2CCCN(CCCCCF)CC2)CC[N@H+]1C ZINC001195894090 797976685 /nfs/dbraw/zinc/97/66/85/797976685.db2.gz QCAUKZQKEAROAO-HZPDHXFCSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001196010511 797993103 /nfs/dbraw/zinc/99/31/03/797993103.db2.gz PILMPLMDIXPCKY-CVEARBPZSA-N 1 3 315.477 2.247 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001196010511 797993105 /nfs/dbraw/zinc/99/31/05/797993105.db2.gz PILMPLMDIXPCKY-CVEARBPZSA-N 1 3 315.477 2.247 20 0 DEADHO Cc1ccc2c(c1)nc(Cl)nc2NC(=N)NCCCC[NH3+] ZINC001157095949 798143233 /nfs/dbraw/zinc/14/32/33/798143233.db2.gz BMMRRIQCEJIPPC-UHFFFAOYSA-N 1 3 306.801 2.267 20 0 DEADHO CC(C)C[C@H]([NH3+])CC(=O)N1CCN(CC2CCCCC2)CC1 ZINC001157579614 798234736 /nfs/dbraw/zinc/23/47/36/798234736.db2.gz PNEBAUNGOFTFDT-KRWDZBQOSA-N 1 3 309.498 2.474 20 0 DEADHO CC(C)(C(=O)NCCC[NH2+]C/C=C/Cl)N1CCCCC1 ZINC001158079735 798338168 /nfs/dbraw/zinc/33/81/68/798338168.db2.gz OGOPVMSVVVHPRA-SOFGYWHQSA-N 1 3 301.862 2.099 20 0 DEADHO CC(C)(C(=O)NCCC[NH2+]CCC(F)(F)F)N1CCCCC1 ZINC001158079678 798338655 /nfs/dbraw/zinc/33/86/55/798338655.db2.gz LQAYBUQRYBCTDJ-UHFFFAOYSA-N 1 3 323.403 2.299 20 0 DEADHO COc1ccccc1[C@H](CNC(=O)CCC[NH+](C)C)NC(C)C ZINC001198865169 798409787 /nfs/dbraw/zinc/40/97/87/798409787.db2.gz JEUAPTIMQMKOEC-INIZCTEOSA-N 1 3 321.465 2.192 20 0 DEADHO CCC[NH2+][C@@H](CNC(=O)CN(CC)CC)c1ccccc1OC ZINC001198939706 798417612 /nfs/dbraw/zinc/41/76/12/798417612.db2.gz MBXFMVOQUTZNND-INIZCTEOSA-N 1 3 321.465 2.194 20 0 DEADHO COc1ccccc1[C@H](CNC(=O)CN(C)C(C)C)[NH2+]C(C)C ZINC001198994629 798427956 /nfs/dbraw/zinc/42/79/56/798427956.db2.gz YUCBNAKLWKOLFS-INIZCTEOSA-N 1 3 321.465 2.191 20 0 DEADHO CC[N@@H+]1CCN(c2cc(Cl)nc3c2CCNC3)C(C)(C)C1 ZINC001158561848 798430031 /nfs/dbraw/zinc/43/00/31/798430031.db2.gz QBTQABMCYDRTGX-UHFFFAOYSA-N 1 3 308.857 2.301 20 0 DEADHO CC[N@H+]1CCN(c2cc(Cl)nc3c2CCNC3)C(C)(C)C1 ZINC001158561848 798430034 /nfs/dbraw/zinc/43/00/34/798430034.db2.gz QBTQABMCYDRTGX-UHFFFAOYSA-N 1 3 308.857 2.301 20 0 DEADHO CCOc1cccc(N(C2CC[NH2+]CC2)C2CCN(C)CC2)n1 ZINC001158574628 798431905 /nfs/dbraw/zinc/43/19/05/798431905.db2.gz BFOZEANYMQFZRU-UHFFFAOYSA-N 1 3 318.465 2.133 20 0 DEADHO CN(C)C1(C(=O)NCCC[NH2+]Cc2ccc(CF)cc2)CCC1 ZINC001159854907 798618674 /nfs/dbraw/zinc/61/86/74/798618674.db2.gz WQOGYPXICSZAOV-UHFFFAOYSA-N 1 3 321.440 2.236 20 0 DEADHO CN(C)C1(C(=O)NCCC[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CCC1 ZINC001159853725 798618857 /nfs/dbraw/zinc/61/88/57/798618857.db2.gz JQHORTVXRKTICC-OWCLPIDISA-N 1 3 307.482 2.003 20 0 DEADHO CCc1cccc(C[NH2+]CCCNC(=O)[C@H](C2CC2)N(C)C)c1 ZINC001159917092 798625667 /nfs/dbraw/zinc/62/56/67/798625667.db2.gz VBSNUYJMGMEBKH-SFHVURJKSA-N 1 3 317.477 2.185 20 0 DEADHO CN(C)[C@H](C(=O)NCCC[NH2+]CC1CCCCCC1)C1CC1 ZINC001159924404 798626885 /nfs/dbraw/zinc/62/68/85/798626885.db2.gz KKELAKJMADRIMP-KRWDZBQOSA-N 1 3 309.498 2.393 20 0 DEADHO CN(C)[C@H](C(=O)NCCC[NH2+]CCC1=CCCCC1)C1CC1 ZINC001159931859 798627917 /nfs/dbraw/zinc/62/79/17/798627917.db2.gz KHYWPSICCSQPFR-KRWDZBQOSA-N 1 3 307.482 2.313 20 0 DEADHO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ncnc4c3CCNC4)c2c1 ZINC001160010966 798639315 /nfs/dbraw/zinc/63/93/15/798639315.db2.gz LDALKCNFABYINM-ZDUSSCGKSA-N 1 3 321.428 2.264 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC[NH2+][C@H](C)c1ccccc1)N(C)C ZINC001160427453 798686799 /nfs/dbraw/zinc/68/67/99/798686799.db2.gz RLPDRVXKHPDKRR-WBVHZDCISA-N 1 3 305.466 2.430 20 0 DEADHO CC[C@H](C(=O)NCCC1=CC[N@H+](CC=C(C)C)CC1)N(C)C ZINC001160479459 798694143 /nfs/dbraw/zinc/69/41/43/798694143.db2.gz XAEUBOCPBGGNMG-QGZVFWFLSA-N 1 3 307.482 2.431 20 0 DEADHO CC[C@H](C(=O)NCCC1=CC[N@@H+](CC=C(C)C)CC1)N(C)C ZINC001160479459 798694145 /nfs/dbraw/zinc/69/41/45/798694145.db2.gz XAEUBOCPBGGNMG-QGZVFWFLSA-N 1 3 307.482 2.431 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]CCCC2CCC2)CC1)C1CC1 ZINC001201051914 798710707 /nfs/dbraw/zinc/71/07/07/798710707.db2.gz AMLQWGBPUSZCGF-GOSISDBHSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C(=O)[C@@H](N)CCCC[NH+](C)C)[C@@H](C1CCC1)C(F)(F)F ZINC001160774288 798739423 /nfs/dbraw/zinc/73/94/23/798739423.db2.gz RSZMMYTXDIDMMB-STQMWFEESA-N 1 3 323.403 2.235 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+]Cc1cccc(C(C)C)n1)N(C)C ZINC001160883820 798755412 /nfs/dbraw/zinc/75/54/12/798755412.db2.gz VYJPUVMRENVXKS-QGZVFWFLSA-N 1 3 320.481 2.141 20 0 DEADHO CC(C)C[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001161134032 798800695 /nfs/dbraw/zinc/80/06/95/798800695.db2.gz ZASNAEVOFOCKGE-QGZVFWFLSA-N 1 3 309.498 2.367 20 0 DEADHO CC(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001161134032 798800700 /nfs/dbraw/zinc/80/07/00/798800700.db2.gz ZASNAEVOFOCKGE-QGZVFWFLSA-N 1 3 309.498 2.367 20 0 DEADHO Nc1cccc(N2CCC([NH3+])(Cc3ccccc3F)CC2)n1 ZINC001161986768 798986046 /nfs/dbraw/zinc/98/60/46/798986046.db2.gz DQWWTDGQNWXDAT-UHFFFAOYSA-N 1 3 300.381 2.343 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)[C@H]3CCCN3CCC)[C@@H]2C1 ZINC001114369039 799072237 /nfs/dbraw/zinc/07/22/37/799072237.db2.gz YBWMYRCOVSWMHO-MLTOYYIHSA-N 1 3 319.493 2.264 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)[C@H]3CCCN3CCC)[C@@H]2C1 ZINC001114369039 799072243 /nfs/dbraw/zinc/07/22/43/799072243.db2.gz YBWMYRCOVSWMHO-MLTOYYIHSA-N 1 3 319.493 2.264 20 0 DEADHO CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1CCC ZINC001114368987 799072333 /nfs/dbraw/zinc/07/23/33/799072333.db2.gz WWFAIHLWDAWXAV-XWTMOSNGSA-N 1 3 321.509 2.488 20 0 DEADHO CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1CCC ZINC001114368987 799072340 /nfs/dbraw/zinc/07/23/40/799072340.db2.gz WWFAIHLWDAWXAV-XWTMOSNGSA-N 1 3 321.509 2.488 20 0 DEADHO CCN(CC)Cc1cccc(N[C@@H]2COCCC23C[NH2+]C3)c1F ZINC001163081006 799240436 /nfs/dbraw/zinc/24/04/36/799240436.db2.gz JWANKFNBWZWKPA-MRXNPFEDSA-N 1 3 321.440 2.458 20 0 DEADHO CC[NH+](CC)CCNC(=N)Nc1ccc(-c2ccco2)nn1 ZINC001163128445 799253043 /nfs/dbraw/zinc/25/30/43/799253043.db2.gz KRNNLAAAFXPNOF-UHFFFAOYSA-N 1 3 302.382 2.015 20 0 DEADHO CCN(CC)Cc1cccc(NC[C@@]23C[NH2+][C@@H](CO2)C3)c1F ZINC001163202956 799276039 /nfs/dbraw/zinc/27/60/39/799276039.db2.gz DVFBEJXHRRSBJC-RHSMWYFYSA-N 1 3 307.413 2.210 20 0 DEADHO CC(=O)Nc1ccc(NCC2(N(C)C)CC[NH+](C)CC2)cc1F ZINC001164211303 799539285 /nfs/dbraw/zinc/53/92/85/799539285.db2.gz PBUCNIVFRHCZBG-UHFFFAOYSA-N 1 3 322.428 2.222 20 0 DEADHO CN(CC(=O)NCCC1(C[NH2+]C/C=C/Cl)CC1)C1CCC1 ZINC001165501860 799737920 /nfs/dbraw/zinc/73/79/20/799737920.db2.gz PMHUBXNXECDGLM-YCRREMRBSA-N 1 3 313.873 2.099 20 0 DEADHO Cc1cccc(C)c1C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166004731 799811266 /nfs/dbraw/zinc/81/12/66/799811266.db2.gz VFRHIEVOIVEYTJ-GOSISDBHSA-N 1 3 319.493 2.486 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCF)[NH+](CC)CC ZINC001111018459 799832926 /nfs/dbraw/zinc/83/29/26/799832926.db2.gz VYDRXHJKAMIOOV-WCVJEAGWSA-N 1 3 313.461 2.188 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCF)[NH+](CC)CC ZINC001111018458 799832981 /nfs/dbraw/zinc/83/29/81/799832981.db2.gz VYDRXHJKAMIOOV-FPCVCCKLSA-N 1 3 313.461 2.188 20 0 DEADHO CC[C@@H](C(=O)NCCCNCc1oc(C)nc1C)[NH+](CC)CC ZINC001166440255 799870434 /nfs/dbraw/zinc/87/04/34/799870434.db2.gz SFHVFMVDKRYLMY-HNNXBMFYSA-N 1 3 324.469 2.008 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)CN2CCC[C@H]2C)cc1 ZINC001166633467 799907408 /nfs/dbraw/zinc/90/74/08/799907408.db2.gz GLFZOKRSBGFOQY-MRXNPFEDSA-N 1 3 303.450 2.075 20 0 DEADHO c1c2ccccc2n(-c2ncnc3c2CCNC3)c1[C@@H]1CCC[NH2+]1 ZINC001166650448 799911967 /nfs/dbraw/zinc/91/19/67/799911967.db2.gz DSIFZGPQXUFGGI-HNNXBMFYSA-N 1 3 319.412 2.491 20 0 DEADHO CCCCC[NH2+]CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001166686981 799921790 /nfs/dbraw/zinc/92/17/90/799921790.db2.gz GDCJLJBCOKNKLE-QGZVFWFLSA-N 1 3 315.477 2.485 20 0 DEADHO CNCc1cc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)ncn1 ZINC001166890333 799972354 /nfs/dbraw/zinc/97/23/54/799972354.db2.gz YHYRWSFJAVHLHE-KRWDZBQOSA-N 1 3 311.433 2.445 20 0 DEADHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2csc(C)c2)CC1 ZINC001203460623 800051582 /nfs/dbraw/zinc/05/15/82/800051582.db2.gz SMPLPQNSKLSXLC-UHFFFAOYSA-N 1 3 323.506 2.479 20 0 DEADHO COCC[N@@H+]1CCO[C@@H]2CN(Cc3ccc(C)s3)CC[C@@H]2C1 ZINC001204032266 800161450 /nfs/dbraw/zinc/16/14/50/800161450.db2.gz VHMOWHIITDVMCM-NVXWUHKLSA-N 1 3 324.490 2.226 20 0 DEADHO COCC[N@H+]1CCO[C@@H]2CN(Cc3ccc(C)s3)CC[C@@H]2C1 ZINC001204032266 800161456 /nfs/dbraw/zinc/16/14/56/800161456.db2.gz VHMOWHIITDVMCM-NVXWUHKLSA-N 1 3 324.490 2.226 20 0 DEADHO CCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001204798481 800259309 /nfs/dbraw/zinc/25/93/09/800259309.db2.gz JTWSZOOQEVRCSQ-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO [NH3+]C[C@@]1(O)CCCN(Cc2ccc(O)cc2C(F)(F)F)CC1 ZINC001205228856 800323840 /nfs/dbraw/zinc/32/38/40/800323840.db2.gz IWYDWQYTFCIMGR-CQSZACIVSA-N 1 3 318.339 2.087 20 0 DEADHO C[C@]1([NH3+])CCCN(Cc2ccc(O)c3[nH]c(=O)ccc23)CC1 ZINC001205288010 800336330 /nfs/dbraw/zinc/33/63/30/800336330.db2.gz FOYPSZBALCPRRR-KRWDZBQOSA-N 1 3 301.390 2.349 20 0 DEADHO CC(C)CC[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001205462500 800360427 /nfs/dbraw/zinc/36/04/27/800360427.db2.gz ZJSOEIMBPXAVAV-QGZVFWFLSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H](F)CC[NH2+]CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001205457841 800360442 /nfs/dbraw/zinc/36/04/42/800360442.db2.gz RWHMTSOHMZRHDQ-CQSZACIVSA-N 1 3 313.461 2.047 20 0 DEADHO COC(=O)c1ccc(CN2CCC[C@](F)(C[NH3+])CC2)s1 ZINC001205570799 800378447 /nfs/dbraw/zinc/37/84/47/800378447.db2.gz PEGCPYSZRRZRLO-CQSZACIVSA-N 1 3 300.399 2.188 20 0 DEADHO COc1ccc2nc(CN3CCC[C@](F)(C[NH3+])CC3)[nH]c2c1 ZINC001205591241 800382841 /nfs/dbraw/zinc/38/28/41/800382841.db2.gz IFAAHINQMUHGDH-MRXNPFEDSA-N 1 3 306.385 2.224 20 0 DEADHO C[C@H]1CCN(Cc2cc(F)cc3c2OCOC3)CC[C@H]1C[NH3+] ZINC001205625659 800388990 /nfs/dbraw/zinc/38/89/90/800388990.db2.gz CFHRUFXKEIAUST-STQMWFEESA-N 1 3 308.397 2.499 20 0 DEADHO CCOC(=O)c1ccnc(CN2CC[C@@H](C)[C@H](C[NH3+])CC2)c1 ZINC001205636491 800391145 /nfs/dbraw/zinc/39/11/45/800391145.db2.gz CWTCEAWIEIYRMN-HIFRSBDPSA-N 1 3 305.422 2.065 20 0 DEADHO CC/C=C\CC[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001206928672 800631338 /nfs/dbraw/zinc/63/13/38/800631338.db2.gz DZGYXXYWGXXVAN-ARJAWSKDSA-N 1 3 307.482 2.267 20 0 DEADHO COCCN(CCc1ccccc1OC)C1CC[NH+](C)CC1 ZINC001207455455 800756590 /nfs/dbraw/zinc/75/65/90/800756590.db2.gz AOMRUUFLEBCMRW-UHFFFAOYSA-N 1 3 306.450 2.280 20 0 DEADHO Cc1cccc(N2CCN(CC3(C)CC[NH+](C)CC3)CC2)n1 ZINC001208104512 800913351 /nfs/dbraw/zinc/91/33/51/800913351.db2.gz NWWRWFCZHKKYFW-UHFFFAOYSA-N 1 3 302.466 2.244 20 0 DEADHO Cc1ccc(N2CCN(CC3(C)CC[NH+](C)CC3)CC2)nc1 ZINC001208113282 800915176 /nfs/dbraw/zinc/91/51/76/800915176.db2.gz GQQBIQVTFJWGIY-UHFFFAOYSA-N 1 3 302.466 2.244 20 0 DEADHO Cc1ccnc(O[C@H]2CC[N@@H+](CC3(CN(C)C)CCCC3)C2)n1 ZINC001208187815 800925232 /nfs/dbraw/zinc/92/52/32/800925232.db2.gz APASZFFMPPZWEK-INIZCTEOSA-N 1 3 318.465 2.360 20 0 DEADHO Cc1ccnc(O[C@H]2CC[N@H+](CC3(CN(C)C)CCCC3)C2)n1 ZINC001208187815 800925233 /nfs/dbraw/zinc/92/52/33/800925233.db2.gz APASZFFMPPZWEK-INIZCTEOSA-N 1 3 318.465 2.360 20 0 DEADHO CC(C)C(=O)N1CCC[C@@]12CCN(C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001208608664 801030432 /nfs/dbraw/zinc/03/04/32/801030432.db2.gz RIZOPFHVRFAMJV-AEFFLSMTSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)C(=O)N1CCC[C@@]12CCN(C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001208608664 801030434 /nfs/dbraw/zinc/03/04/34/801030434.db2.gz RIZOPFHVRFAMJV-AEFFLSMTSA-N 1 3 307.482 2.051 20 0 DEADHO c1ccc(C[N@H+]2CCC[C@H](CN3CC(C4COC4)C3)C2)cc1 ZINC001208931430 801097481 /nfs/dbraw/zinc/09/74/81/801097481.db2.gz JRALMZDODAGSIM-KRWDZBQOSA-N 1 3 300.446 2.477 20 0 DEADHO c1ccc(C[N@@H+]2CCC[C@H](CN3CC(C4COC4)C3)C2)cc1 ZINC001208931430 801097485 /nfs/dbraw/zinc/09/74/85/801097485.db2.gz JRALMZDODAGSIM-KRWDZBQOSA-N 1 3 300.446 2.477 20 0 DEADHO OC[C@@H]1C[N@H+](C[C@H]2CCN(Cc3ccccc3)C2)CCC1(F)F ZINC001208948463 801100604 /nfs/dbraw/zinc/10/06/04/801100604.db2.gz QMYBTNRQXDXSJV-IRXDYDNUSA-N 1 3 324.415 2.458 20 0 DEADHO OC[C@@H]1C[N@@H+](C[C@H]2CCN(Cc3ccccc3)C2)CCC1(F)F ZINC001208948463 801100608 /nfs/dbraw/zinc/10/06/08/801100608.db2.gz QMYBTNRQXDXSJV-IRXDYDNUSA-N 1 3 324.415 2.458 20 0 DEADHO CCCCCC[NH+]1CCC(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001229184726 801237729 /nfs/dbraw/zinc/23/77/29/801237729.db2.gz AJFRFGJXJJGEOZ-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CCCCCF)C2)C1 ZINC001209641598 801243018 /nfs/dbraw/zinc/24/30/18/801243018.db2.gz JNVCOSRJGZOMGO-HOTGVXAUSA-N 1 3 313.461 2.049 20 0 DEADHO CN(CC(=O)N1CCC[C@H]([NH2+]CC2CCC2)C1)CC(C)(C)C ZINC001209689717 801255934 /nfs/dbraw/zinc/25/59/34/801255934.db2.gz NIFLRWDVAZDDJT-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](F)C[NH2+][C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001209689280 801256324 /nfs/dbraw/zinc/25/63/24/801256324.db2.gz JVLGAUZSIIOROV-LSDHHAIUSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)(C)OC(=O)NC[C@]1(C)CCN(Cc2c[nH+]ccc2N)C1 ZINC001209732609 801267865 /nfs/dbraw/zinc/26/78/65/801267865.db2.gz JSRHIUQAGHRQNJ-KRWDZBQOSA-N 1 3 320.437 2.231 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216851889 802033709 /nfs/dbraw/zinc/03/37/09/802033709.db2.gz KHTZXAFLLZMIAR-BRWVUGGUSA-N 1 3 311.514 2.445 20 0 DEADHO COC(=O)/C=C/c1ccc(CN2CC3(C2)CC[NH+](C)CC3)cc1 ZINC001233299496 802069281 /nfs/dbraw/zinc/06/92/81/802069281.db2.gz BGQWBABPAXIANM-BQYQJAHWSA-N 1 3 314.429 2.400 20 0 DEADHO c1cc(-c2nnc(CNCC3CC[NH2+]CC3)o2)cc2c1CCC2 ZINC001217757325 802112917 /nfs/dbraw/zinc/11/29/17/802112917.db2.gz KFEOOMWHVYQIEB-UHFFFAOYSA-N 1 3 312.417 2.315 20 0 DEADHO CC[N@@H+]1CCC[C@H](Oc2nc3onc(C)c3c3c2CNCC3)C1 ZINC001218349183 802171000 /nfs/dbraw/zinc/17/10/00/802171000.db2.gz ZBZNICVLFUKSRH-LBPRGKRZSA-N 1 3 316.405 2.040 20 0 DEADHO CC[N@H+]1CCC[C@H](Oc2nc3onc(C)c3c3c2CNCC3)C1 ZINC001218349183 802171004 /nfs/dbraw/zinc/17/10/04/802171004.db2.gz ZBZNICVLFUKSRH-LBPRGKRZSA-N 1 3 316.405 2.040 20 0 DEADHO CCc1nccc(C)c1NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001218801975 802243029 /nfs/dbraw/zinc/24/30/29/802243029.db2.gz IYCOLVQQXBYHCE-AWEZNQCLSA-N 1 3 306.454 2.387 20 0 DEADHO Nc1ccccc1N(C(=O)[C@@H](N)C1CC[NH2+]CC1)c1ccccc1 ZINC001218835099 802248583 /nfs/dbraw/zinc/24/85/83/802248583.db2.gz DXXSZSNDDMHINC-SFHVURJKSA-N 1 3 324.428 2.260 20 0 DEADHO CC(=O)c1ccc(NC(=O)[C@@H](N)CCCC[NH+](C)C)c(F)c1 ZINC001218944584 802262363 /nfs/dbraw/zinc/26/23/63/802262363.db2.gz DHRXSJGQDUFMPO-AWEZNQCLSA-N 1 3 309.385 2.026 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cccc2c1OCCC2 ZINC001218975742 802268338 /nfs/dbraw/zinc/26/83/38/802268338.db2.gz ZNXXONWYNFGTQS-HNNXBMFYSA-N 1 3 319.449 2.446 20 0 DEADHO CC(C)[C@]1(C(=O)Nc2ccc3c(c2)CNCCO3)CCC[NH2+]C1 ZINC001219027995 802276332 /nfs/dbraw/zinc/27/63/32/802276332.db2.gz KKXOUPZLICKMHB-SFHVURJKSA-N 1 3 317.433 2.133 20 0 DEADHO CC(C)[C@@H](N)C(=O)Nc1cc(F)ccc1OCC1CC[NH2+]CC1 ZINC001219130743 802287385 /nfs/dbraw/zinc/28/73/85/802287385.db2.gz UMYRFQLFKMKZKK-MRXNPFEDSA-N 1 3 323.412 2.126 20 0 DEADHO CCC[C@H]([NH3+])C(=O)NCCN1CCC(Cc2ccccc2)CC1 ZINC001219669057 802364430 /nfs/dbraw/zinc/36/44/30/802364430.db2.gz KDROJSLQVYDLGB-SFHVURJKSA-N 1 3 317.477 2.185 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)c2ccccc21 ZINC001220333956 802444711 /nfs/dbraw/zinc/44/47/11/802444711.db2.gz YQQYIATYAQRIAZ-KBRIMQKVSA-N 1 3 313.445 2.225 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)c2ccccc21 ZINC001220333956 802444717 /nfs/dbraw/zinc/44/47/17/802444717.db2.gz YQQYIATYAQRIAZ-KBRIMQKVSA-N 1 3 313.445 2.225 20 0 DEADHO C[C@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)[C@H]1CCC3(CC[NH2+]CC3)N1)C2(C)C ZINC001221199460 802536874 /nfs/dbraw/zinc/53/68/74/802536874.db2.gz NHAOLSDAFXEMGN-AALSBFMBSA-N 1 3 319.493 2.048 20 0 DEADHO C[C@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)[C@H]1CCC3(CCNCC3)[NH2+]1)C2(C)C ZINC001221199460 802536876 /nfs/dbraw/zinc/53/68/76/802536876.db2.gz NHAOLSDAFXEMGN-AALSBFMBSA-N 1 3 319.493 2.048 20 0 DEADHO Cc1ccc(CN2CCNC3(CC[NH2+]CC3)C2)c(C)c1Cl ZINC001222109697 802644679 /nfs/dbraw/zinc/64/46/79/802644679.db2.gz NRWNSQILLTUEHR-UHFFFAOYSA-N 1 3 307.869 2.484 20 0 DEADHO COc1ccc(CCCN2CC[NH2+]C[C@@]3(CCCCN3)C2)cc1 ZINC001222669677 802725248 /nfs/dbraw/zinc/72/52/48/802725248.db2.gz XVNUXIKCAFHQRF-IBGZPJMESA-N 1 3 317.477 2.045 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC1CC[NH+](CCC2CC2)CC1 ZINC001223654268 802806570 /nfs/dbraw/zinc/80/65/70/802806570.db2.gz KEBVYRRMVNSWTA-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C)C[NH+]1CCC(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001224558220 802881389 /nfs/dbraw/zinc/88/13/89/802881389.db2.gz CGJPMBNRWXQPNO-HOTGVXAUSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1CC[NH+](CCCF)CC1 ZINC001225541333 802979728 /nfs/dbraw/zinc/97/97/28/802979728.db2.gz AAYPVNRWTVQLJV-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO CN(C)[C@@H](C(=O)NC1CC[NH+](CCC2CCCC2)CC1)C1CC1 ZINC001227798098 803281182 /nfs/dbraw/zinc/28/11/82/803281182.db2.gz SECNZBAYRCVPIM-GOSISDBHSA-N 1 3 321.509 2.488 20 0 DEADHO CCC(CC)C[NH+]1CCC(NC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001227817175 803283984 /nfs/dbraw/zinc/28/39/84/803283984.db2.gz KFUQKNIHVDMIQW-QGZVFWFLSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/Cl)N(C)C ZINC001228445051 803361117 /nfs/dbraw/zinc/36/11/17/803361117.db2.gz LFPDLIPJQCEGFN-TZRWKLSFSA-N 1 3 315.889 2.342 20 0 DEADHO C[NH+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc(C3CC3)cc2)C1 ZINC001370012707 1149346790 /nfs/dbraw/zinc/34/67/90/1149346790.db2.gz GAKMCWLSNSGLFK-GOSISDBHSA-N 1 3 315.461 2.206 20 0 DEADHO CCc1ccccc1CN1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001370030504 1149358210 /nfs/dbraw/zinc/35/82/10/1149358210.db2.gz GGGLXOFOGCOFDE-GOSISDBHSA-N 1 3 317.477 2.281 20 0 DEADHO CCc1ccccc1CN1CC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001370030504 1149358220 /nfs/dbraw/zinc/35/82/20/1149358220.db2.gz GGGLXOFOGCOFDE-GOSISDBHSA-N 1 3 317.477 2.281 20 0 DEADHO CC[C@@H](C)C[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001418943036 1168084597 /nfs/dbraw/zinc/08/45/97/1168084597.db2.gz SCNCGXBWCPAMER-WBVHZDCISA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001418943036 1168084604 /nfs/dbraw/zinc/08/46/04/1168084604.db2.gz SCNCGXBWCPAMER-WBVHZDCISA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C)C[N@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001418943030 1168083842 /nfs/dbraw/zinc/08/38/42/1168083842.db2.gz SCNCGXBWCPAMER-NVXWUHKLSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C)C[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001418943030 1168083850 /nfs/dbraw/zinc/08/38/50/1168083850.db2.gz SCNCGXBWCPAMER-NVXWUHKLSA-N 1 3 309.498 2.297 20 0 DEADHO CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001419233206 1168332805 /nfs/dbraw/zinc/33/28/05/1168332805.db2.gz YGCHFRSPCAXNPK-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@]1(C)CC(=O)N(CN2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)C1 ZINC001335252587 1150390292 /nfs/dbraw/zinc/39/02/92/1150390292.db2.gz LNYZYQKZSJPXRW-BVIKNXMNSA-N 1 3 307.482 2.255 20 0 DEADHO C[C@@H](NC(=O)C(C)(C)N1CCCC1)[C@H](C)[NH2+]C/C=C/Cl ZINC001368859203 1148723638 /nfs/dbraw/zinc/72/36/38/1148723638.db2.gz DDOLBXIFKYEARM-AHYBDNRGSA-N 1 3 301.862 2.096 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CC2CCC2)CCC1 ZINC001420087093 1169152594 /nfs/dbraw/zinc/15/25/94/1169152594.db2.gz MADJWQGCAPJVPW-JKSUJKDBSA-N 1 3 307.482 2.145 20 0 DEADHO CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001368238453 1148400019 /nfs/dbraw/zinc/40/00/19/1148400019.db2.gz GPIRNHQAABOTEJ-UONOGXRCSA-N 1 3 319.440 2.200 20 0 DEADHO CCCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001368238453 1148400024 /nfs/dbraw/zinc/40/00/24/1148400024.db2.gz GPIRNHQAABOTEJ-UONOGXRCSA-N 1 3 319.440 2.200 20 0 DEADHO Cc1ccc(NC(=O)CCSCCC[NH3+])c(CN(C)C)c1 ZINC001343431820 1150741669 /nfs/dbraw/zinc/74/16/69/1150741669.db2.gz OBNGVSCMBSPXCR-UHFFFAOYSA-N 1 3 309.479 2.467 20 0 DEADHO C[C@H](NCc1ccccc1Cl)[C@H](C)NC(=O)CC[NH+](C)C ZINC001368873524 1148737470 /nfs/dbraw/zinc/73/74/70/1148737470.db2.gz WLQACLFPDJTGSQ-STQMWFEESA-N 1 3 311.857 2.275 20 0 DEADHO CC(C)CC[N@H+]1C[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001368355719 1148422832 /nfs/dbraw/zinc/42/28/32/1148422832.db2.gz NVLNQZJXLHYLRP-CALCHBBNSA-N 1 3 323.525 2.401 20 0 DEADHO CC(C)CC[N@@H+]1C[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001368355719 1148422834 /nfs/dbraw/zinc/42/28/34/1148422834.db2.gz NVLNQZJXLHYLRP-CALCHBBNSA-N 1 3 323.525 2.401 20 0 DEADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[NH+](CC1CCCC1)CC2 ZINC001368427980 1148442221 /nfs/dbraw/zinc/44/22/21/1148442221.db2.gz ROTKLJAVRHLZBS-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(C)CC(=O)NCc1cccc2c1CC[N@@H+](C(C)C)C2 ZINC001368446452 1148448065 /nfs/dbraw/zinc/44/80/65/1148448065.db2.gz KBKATNJZCXHTQP-UHFFFAOYSA-N 1 3 317.477 2.411 20 0 DEADHO CCCN(C)CC(=O)NCc1cccc2c1CC[N@H+](C(C)C)C2 ZINC001368446452 1148448069 /nfs/dbraw/zinc/44/80/69/1148448069.db2.gz KBKATNJZCXHTQP-UHFFFAOYSA-N 1 3 317.477 2.411 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001368939467 1148794105 /nfs/dbraw/zinc/79/41/05/1148794105.db2.gz HXKFNCANUKBWDM-FUHWJXTLSA-N 1 3 317.477 2.496 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001368939467 1148794115 /nfs/dbraw/zinc/79/41/15/1148794115.db2.gz HXKFNCANUKBWDM-FUHWJXTLSA-N 1 3 317.477 2.496 20 0 DEADHO C[NH+](C)CCC(=O)N[C@@H]1CCCN(Cc2cccc(F)c2)CC1 ZINC001368516185 1148473872 /nfs/dbraw/zinc/47/38/72/1148473872.db2.gz RKZOIJVGGDYLFB-QGZVFWFLSA-N 1 3 321.440 2.248 20 0 DEADHO C[C@@H](NCC=C(Cl)Cl)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001368889447 1148748887 /nfs/dbraw/zinc/74/88/87/1148748887.db2.gz XASWYCCONUNZRP-MNOVXSKESA-N 1 3 310.269 2.130 20 0 DEADHO CCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CN(C)C(C)C ZINC001328693971 1148825095 /nfs/dbraw/zinc/82/50/95/1148825095.db2.gz OFWYBJUVVBUYQB-IEBWSBKVSA-N 1 3 317.477 2.499 20 0 DEADHO CN(CCC[N@H+](C)CC1CC2(CCC2)C1)C(=O)[C@H]1CCCN1C ZINC001368530797 1148480796 /nfs/dbraw/zinc/48/07/96/1148480796.db2.gz VLSLPMBKFNMSPP-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CN(CCC[N@@H+](C)CC1CC2(CCC2)C1)C(=O)[C@H]1CCCN1C ZINC001368530797 1148480800 /nfs/dbraw/zinc/48/08/00/1148480800.db2.gz VLSLPMBKFNMSPP-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC/C=C/CC[N@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001328796701 1148836447 /nfs/dbraw/zinc/83/64/47/1148836447.db2.gz JQGXLHHGTAUPLD-LAQIPUCWSA-N 1 3 307.482 2.361 20 0 DEADHO CC/C=C/CC[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001328796701 1148836451 /nfs/dbraw/zinc/83/64/51/1148836451.db2.gz JQGXLHHGTAUPLD-LAQIPUCWSA-N 1 3 307.482 2.361 20 0 DEADHO [NH3+]C1CCC([NH2+][C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)CC1 ZINC001606436785 1071144132 /nfs/dbraw/zinc/14/41/32/1071144132.db2.gz IWPWRAZLNWERJS-ZBCRRDGASA-N 1 3 312.421 2.104 20 0 DEADHO [NH3+]C1CCC([NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)CC1 ZINC001606436785 1071144139 /nfs/dbraw/zinc/14/41/39/1071144139.db2.gz IWPWRAZLNWERJS-ZBCRRDGASA-N 1 3 312.421 2.104 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C1C[NH+](CC2CCCCC2)C1)N(C)C ZINC001369078769 1148844199 /nfs/dbraw/zinc/84/41/99/1148844199.db2.gz WORYXNNRNYZZEC-RHSMWYFYSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1cc(CN2CC[C@@](C)(NC(=O)CC[NH+](C)C)C2)cs1 ZINC001500258115 1058644468 /nfs/dbraw/zinc/64/44/68/1058644468.db2.gz PFKSTMNPIAUFPB-MRXNPFEDSA-N 1 3 309.479 2.089 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)CN(C)C(C)C)CC1 ZINC001501190275 1059362698 /nfs/dbraw/zinc/36/26/98/1059362698.db2.gz VDBWOTSERTVPKH-QAQDUYKDSA-N 1 3 311.514 2.495 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccsc3)C2)CCC1 ZINC001368574249 1148502674 /nfs/dbraw/zinc/50/26/74/1148502674.db2.gz OGXUYXXKHFUVHD-SHTZXODSSA-N 1 3 321.490 2.217 20 0 DEADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCC=C(Cl)Cl ZINC001502739111 1060255047 /nfs/dbraw/zinc/25/50/47/1060255047.db2.gz WTHXWCRCXONKOW-NWDGAFQWSA-N 1 3 322.280 2.084 20 0 DEADHO CCCN(C)CC(=O)NC1CC(C[NH2+]Cc2cccc(C)c2)C1 ZINC001505531002 1060682103 /nfs/dbraw/zinc/68/21/03/1060682103.db2.gz LXARMRQIAMMNDA-UHFFFAOYSA-N 1 3 317.477 2.321 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001477295350 1061163264 /nfs/dbraw/zinc/16/32/64/1061163264.db2.gz SNZHTVGXWAVPMW-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001477295350 1061163270 /nfs/dbraw/zinc/16/32/70/1061163270.db2.gz SNZHTVGXWAVPMW-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001506002084 1061247011 /nfs/dbraw/zinc/24/70/11/1061247011.db2.gz NJTNHPVIMGZKJJ-SJORKVTESA-N 1 3 317.477 2.273 20 0 DEADHO Cc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001506002084 1061247026 /nfs/dbraw/zinc/24/70/26/1061247026.db2.gz NJTNHPVIMGZKJJ-SJORKVTESA-N 1 3 317.477 2.273 20 0 DEADHO Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001506002083 1061247341 /nfs/dbraw/zinc/24/73/41/1061247341.db2.gz NJTNHPVIMGZKJJ-IRXDYDNUSA-N 1 3 317.477 2.273 20 0 DEADHO Cc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001506002083 1061247360 /nfs/dbraw/zinc/24/73/60/1061247360.db2.gz NJTNHPVIMGZKJJ-IRXDYDNUSA-N 1 3 317.477 2.273 20 0 DEADHO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC001479374946 1061422977 /nfs/dbraw/zinc/42/29/77/1061422977.db2.gz FKBXSPBZXSXPCQ-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO CC(C)CC[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001479691644 1061606785 /nfs/dbraw/zinc/60/67/85/1061606785.db2.gz CXYFJQOFXLMTCH-HNNXBMFYSA-N 1 3 306.454 2.359 20 0 DEADHO CCN(CCF)CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001479855556 1061917618 /nfs/dbraw/zinc/91/76/18/1061917618.db2.gz AQHFSIGMCTXFFS-OAHLLOKOSA-N 1 3 301.450 2.049 20 0 DEADHO CCCC[NH+]1CC([C@@H](C)NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001506658094 1062246585 /nfs/dbraw/zinc/24/65/85/1062246585.db2.gz CZGWXUSEAOABMY-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@@H]2C1 ZINC001506819226 1062408676 /nfs/dbraw/zinc/40/86/76/1062408676.db2.gz UBTCORCVMVPWCG-OSYLJGHBSA-N 1 3 321.509 2.225 20 0 DEADHO CC(C)=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@@H]2C1 ZINC001506819226 1062408691 /nfs/dbraw/zinc/40/86/91/1062408691.db2.gz UBTCORCVMVPWCG-OSYLJGHBSA-N 1 3 321.509 2.225 20 0 DEADHO C[C@H](F)CC[N@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001506958538 1062595081 /nfs/dbraw/zinc/59/50/81/1062595081.db2.gz HUVXRMSOWDCXFV-AWEZNQCLSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@H](F)CC[N@@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001506958538 1062595106 /nfs/dbraw/zinc/59/51/06/1062595106.db2.gz HUVXRMSOWDCXFV-AWEZNQCLSA-N 1 3 313.461 2.142 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2csc(C)c2)C[C@H]1C ZINC001507329259 1063104643 /nfs/dbraw/zinc/10/46/43/1063104643.db2.gz UGTHWJLUDCINKV-CZUORRHYSA-N 1 3 323.506 2.477 20 0 DEADHO CC1(C)CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1NCCF ZINC001507451946 1063303392 /nfs/dbraw/zinc/30/33/92/1063303392.db2.gz CRKQKSXETBBQPR-OAHLLOKOSA-N 1 3 313.461 2.049 20 0 DEADHO C[NH+]1CCC(C(=O)NCCN(CC2=CCCCC2)C2CC2)CC1 ZINC001567449344 1064205113 /nfs/dbraw/zinc/20/51/13/1064205113.db2.gz UTNGJEJJXWCBBT-UHFFFAOYSA-N 1 3 319.493 2.409 20 0 DEADHO CC1CCN(CC(=O)N(C)CC[NH2+]CC2CC(C)(C)C2)CC1 ZINC001567579930 1064261183 /nfs/dbraw/zinc/26/11/83/1064261183.db2.gz CXMJELKUQGTVRE-UHFFFAOYSA-N 1 3 309.498 2.203 20 0 DEADHO CCCCC[N@@H+]1CC[C@@H](N(CC)C(=O)CN2CC[C@@H](C)C2)C1 ZINC001494910510 1064565401 /nfs/dbraw/zinc/56/54/01/1064565401.db2.gz NIRHMKBKBSTSFL-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CCCCC[N@H+]1CC[C@@H](N(CC)C(=O)CN2CC[C@@H](C)C2)C1 ZINC001494910510 1064565414 /nfs/dbraw/zinc/56/54/14/1064565414.db2.gz NIRHMKBKBSTSFL-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@@H](CNC(=O)Cc1nc[nH]c1C)[NH2+]CC1=CCCCC1 ZINC001567986229 1064579133 /nfs/dbraw/zinc/57/91/33/1064579133.db2.gz ZUWNNLHMNHJHCC-HNNXBMFYSA-N 1 3 304.438 2.245 20 0 DEADHO CC[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCc1cncs1 ZINC001494998119 1064632921 /nfs/dbraw/zinc/63/29/21/1064632921.db2.gz CCEVYNGDMFLPNJ-ZIAGYGMSSA-N 1 3 324.494 2.002 20 0 DEADHO CC[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCc1cncs1 ZINC001494998119 1064632926 /nfs/dbraw/zinc/63/29/26/1064632926.db2.gz CCEVYNGDMFLPNJ-ZIAGYGMSSA-N 1 3 324.494 2.002 20 0 DEADHO CC[C@@H](CNC(=O)CC[NH+](C)C)NCc1ccccc1Cl ZINC001495048031 1064662654 /nfs/dbraw/zinc/66/26/54/1064662654.db2.gz BLSKFMNCLDDUDP-AWEZNQCLSA-N 1 3 311.857 2.276 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CCc1cccs1 ZINC001568175572 1064682767 /nfs/dbraw/zinc/68/27/67/1064682767.db2.gz HWXFPILAOFTRFT-CQSZACIVSA-N 1 3 323.506 2.117 20 0 DEADHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]C/C=C/c1ccccc1)N(C)C ZINC001568281891 1064751330 /nfs/dbraw/zinc/75/13/30/1064751330.db2.gz YZAQXZYAACCDPB-ZODAKWMJSA-N 1 3 317.477 2.477 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1CC[NH2+]CCCF ZINC001568400428 1064839386 /nfs/dbraw/zinc/83/93/86/1064839386.db2.gz JRVZUGPLZWTKLV-HNNXBMFYSA-N 1 3 301.450 2.047 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC/C=C/C[NH2+]CCC1CCCC1 ZINC001568953209 1065210283 /nfs/dbraw/zinc/21/02/83/1065210283.db2.gz AVKWKDSFQYDLJP-SNAWJCMRSA-N 1 3 304.438 2.103 20 0 DEADHO Cc1cc(CNC/C=C\CNC(=O)C[C@H]2CC[N@@H+](C)C2)cs1 ZINC001568952248 1065211557 /nfs/dbraw/zinc/21/15/57/1065211557.db2.gz VWQSZQXZKSUNER-ABCZVMIZSA-N 1 3 321.490 2.160 20 0 DEADHO Cc1cc(CNC/C=C\CNC(=O)C[C@H]2CC[N@H+](C)C2)cs1 ZINC001568952248 1065211566 /nfs/dbraw/zinc/21/15/66/1065211566.db2.gz VWQSZQXZKSUNER-ABCZVMIZSA-N 1 3 321.490 2.160 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC/C=C/C[NH2+]CCC1CCCCC1 ZINC001568954082 1065211712 /nfs/dbraw/zinc/21/17/12/1065211712.db2.gz KXCPGEWHPPEKSS-AATRIKPKSA-N 1 3 318.465 2.493 20 0 DEADHO CC/C=C\CCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001569359725 1065455400 /nfs/dbraw/zinc/45/54/00/1065455400.db2.gz LIHCWIGZHMSDIW-BEGMFMCTSA-N 1 3 307.482 2.264 20 0 DEADHO CC/C=C\CCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001569359725 1065455406 /nfs/dbraw/zinc/45/54/06/1065455406.db2.gz LIHCWIGZHMSDIW-BEGMFMCTSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001569673681 1065664443 /nfs/dbraw/zinc/66/44/43/1065664443.db2.gz XPHAZWAEZVSIAD-FUHWJXTLSA-N 1 3 309.498 2.367 20 0 DEADHO CCCN(C)CC(=O)N1CCC(CC)([NH2+]CC[C@H](C)F)CC1 ZINC001368598115 1148517410 /nfs/dbraw/zinc/51/74/10/1148517410.db2.gz LMSZOIMVUDFUNF-HNNXBMFYSA-N 1 3 315.477 2.437 20 0 DEADHO CCCCC[N@@H+]1CCC[C@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001570187120 1065962606 /nfs/dbraw/zinc/96/26/06/1065962606.db2.gz HLHTXYBEFACMGI-HNNXBMFYSA-N 1 3 306.454 2.422 20 0 DEADHO CCCCC[N@H+]1CCC[C@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001570187120 1065962616 /nfs/dbraw/zinc/96/26/16/1065962616.db2.gz HLHTXYBEFACMGI-HNNXBMFYSA-N 1 3 306.454 2.422 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001497266773 1066000029 /nfs/dbraw/zinc/00/00/29/1066000029.db2.gz ZRSDOKJJQMEEHP-RHSMWYFYSA-N 1 3 323.456 2.396 20 0 DEADHO CC(C)N(C)CC(=O)NC/C=C\C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001497762902 1066293009 /nfs/dbraw/zinc/29/30/09/1066293009.db2.gz KANGYDYXNKSGFA-MGJQNXGFSA-N 1 3 307.482 2.025 20 0 DEADHO CC(C)N(C)CC(=O)NC/C=C\C[NH2+][C@H](C)c1ccccc1 ZINC001497766277 1066295070 /nfs/dbraw/zinc/29/50/70/1066295070.db2.gz UUMCLUWKHJELNP-HLRDLLSLSA-N 1 3 303.450 2.350 20 0 DEADHO CC(C)N(C)CC(=O)NC/C=C/C[NH2+][C@@H](C)c1ccccc1 ZINC001497766276 1066296271 /nfs/dbraw/zinc/29/62/71/1066296271.db2.gz UUMCLUWKHJELNP-FDMDGMSGSA-N 1 3 303.450 2.350 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCc1ccccc1F ZINC001497816361 1066342909 /nfs/dbraw/zinc/34/29/09/1066342909.db2.gz OMLPROUKFRDCBC-RHSMWYFYSA-N 1 3 321.440 2.293 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCc1ccccc1F ZINC001497816361 1066342924 /nfs/dbraw/zinc/34/29/24/1066342924.db2.gz OMLPROUKFRDCBC-RHSMWYFYSA-N 1 3 321.440 2.293 20 0 DEADHO C[C@H](CNCc1ccns1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001497817119 1066343338 /nfs/dbraw/zinc/34/33/38/1066343338.db2.gz MIAOQXLJFUZPSH-CYBMUJFWSA-N 1 3 324.494 2.002 20 0 DEADHO CC(C)C[C@@H]([NH3+])CC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001575626568 1066378981 /nfs/dbraw/zinc/37/89/81/1066378981.db2.gz KRZADVMYPJSOKX-MSOLQXFVSA-N 1 3 317.477 2.483 20 0 DEADHO CC1(C)CC[C@H](CNC(=O)N2CCN(C3CCCC3)CC2)[NH2+]C1 ZINC001576416656 1066600279 /nfs/dbraw/zinc/60/02/79/1066600279.db2.gz HJXPXKSHKKEBNY-OAHLLOKOSA-N 1 3 322.497 2.034 20 0 DEADHO CC1(C)CN(CC2(O)C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccncc1 ZINC001576457747 1066613524 /nfs/dbraw/zinc/61/35/24/1066613524.db2.gz LAYVERKXRDQQFT-MNTYIPCHSA-N 1 3 301.434 2.110 20 0 DEADHO CC1(C)C[NH2+]CC[C@H](NC[C@@H](c2nnc[nH]2)c2ccccc2)C1 ZINC001576478909 1066619178 /nfs/dbraw/zinc/61/91/78/1066619178.db2.gz TXZNQHUOTJCZLJ-JKSUJKDBSA-N 1 3 313.449 2.304 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC001576580047 1066638625 /nfs/dbraw/zinc/63/86/25/1066638625.db2.gz SMBFYPSVSAWULE-SPUZQDLCSA-N 1 3 315.461 2.283 20 0 DEADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCC[C@@H]1Sc2ccccc2NC1=O ZINC001576747453 1066677876 /nfs/dbraw/zinc/67/78/76/1066677876.db2.gz AGHGCQJZWUNVJF-MPTQWLOMSA-N 1 3 319.474 2.466 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)CCC[NH2+]CC2CC3(CCC3)C2)C1 ZINC001498613538 1066803170 /nfs/dbraw/zinc/80/31/70/1066803170.db2.gz SNHVRDXJUIWJNZ-INIZCTEOSA-N 1 3 321.509 2.347 20 0 DEADHO CCCCCCN(C)CC(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC001634105493 1078419370 /nfs/dbraw/zinc/41/93/70/1078419370.db2.gz IYTSLJSTFNNQHC-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CCN(C(=O)C[NH2+]CC1CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001577633944 1066890874 /nfs/dbraw/zinc/89/08/74/1066890874.db2.gz QKNSNVLFFJOKEG-GOSISDBHSA-N 1 3 315.461 2.109 20 0 DEADHO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CC(C)(C)CN)C1 ZINC001577671973 1066901932 /nfs/dbraw/zinc/90/19/32/1066901932.db2.gz RJFYSDDDSFNBGZ-LBPRGKRZSA-N 1 3 323.403 2.094 20 0 DEADHO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](CC(C)(C)CN)C1 ZINC001577671973 1066901944 /nfs/dbraw/zinc/90/19/44/1066901944.db2.gz RJFYSDDDSFNBGZ-LBPRGKRZSA-N 1 3 323.403 2.094 20 0 DEADHO CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(CC(C)(C)C[NH3+])C1 ZINC001577671973 1066901957 /nfs/dbraw/zinc/90/19/57/1066901957.db2.gz RJFYSDDDSFNBGZ-LBPRGKRZSA-N 1 3 323.403 2.094 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C[NH2+]CCC(C)(C)C)C1CC1)N(C)C ZINC001498822096 1066910005 /nfs/dbraw/zinc/91/00/05/1066910005.db2.gz UENXAXZKJGHNIQ-HZPDHXFCSA-N 1 3 311.514 2.493 20 0 DEADHO CN(C(=O)[C@@H]1CCCCC12CC[NH2+]CC2)[C@H]1CCCN(C)C1 ZINC001578528446 1067124867 /nfs/dbraw/zinc/12/48/67/1067124867.db2.gz GLNOKUWUDUKKTC-HOTGVXAUSA-N 1 3 307.482 2.099 20 0 DEADHO C[NH2+]CCCN(C)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001578684233 1067150499 /nfs/dbraw/zinc/15/04/99/1067150499.db2.gz RBEHAQIQHHKZRP-WBVHZDCISA-N 1 3 318.465 2.073 20 0 DEADHO C[NH2+][C@@H](CC(C)C)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC001578753440 1067161960 /nfs/dbraw/zinc/16/19/60/1067161960.db2.gz RJHAKIWFIJAEHJ-PVAVHDDUSA-N 1 3 305.466 2.428 20 0 DEADHO COC(=O)[C@H](C)Oc1ccc(C[NH2+][C@@H]2[C@H](C)CCN[C@@H]2C)cc1 ZINC001578769465 1067166883 /nfs/dbraw/zinc/16/68/83/1067166883.db2.gz XXVDTLIXRUQEDS-VWPFQQQWSA-N 1 3 320.433 2.103 20 0 DEADHO COC(=O)c1cccc(CN2CCC3(CCC[C@@H]3C[NH3+])CC2)n1 ZINC001578874420 1067187161 /nfs/dbraw/zinc/18/71/61/1067187161.db2.gz ACYRZBVMFMLDPS-CQSZACIVSA-N 1 3 317.433 2.209 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN2CC[C@H](C(C)(C)C)[C@@H](O)C2)cc1 ZINC001579193939 1067254065 /nfs/dbraw/zinc/25/40/65/1067254065.db2.gz IBZIAWYCQSXLGK-NJAFHUGGSA-N 1 3 320.477 2.466 20 0 DEADHO Cc1ccc(F)c(CNCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001481276940 1079557617 /nfs/dbraw/zinc/55/76/17/1079557617.db2.gz IHBLXMRFSKHECI-QGZVFWFLSA-N 1 3 323.456 2.268 20 0 DEADHO COc1ccccc1C[C@@H](C)N(C)CCC1([NH3+])CCOCC1 ZINC001579306604 1067300451 /nfs/dbraw/zinc/30/04/51/1067300451.db2.gz YSSBDVKRWZTWKL-OAHLLOKOSA-N 1 3 306.450 2.456 20 0 DEADHO CS(=O)(=O)c1ccccc1CNCCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001579354844 1067312383 /nfs/dbraw/zinc/31/23/83/1067312383.db2.gz MWDVKBIWELHEJD-VHRNVKJDSA-N 1 3 322.474 2.100 20 0 DEADHO Cc1ccc(CN(CC[NH+](C)C)Cc2cc(C(C)(C)N)no2)o1 ZINC001579690811 1067405412 /nfs/dbraw/zinc/40/54/12/1067405412.db2.gz CRDTXAASQNBFQI-UHFFFAOYSA-N 1 3 320.437 2.334 20 0 DEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)N1CCCc2ccccc21 ZINC001580261980 1067546590 /nfs/dbraw/zinc/54/65/90/1067546590.db2.gz ONGIQIKIOTZGGC-IRXDYDNUSA-N 1 3 315.461 2.463 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCC(=O)N1CCCc2ccccc21 ZINC001580261980 1067546598 /nfs/dbraw/zinc/54/65/98/1067546598.db2.gz ONGIQIKIOTZGGC-IRXDYDNUSA-N 1 3 315.461 2.463 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N(C)CC(C)(C)C[NH2+]CCCF ZINC001570690894 1068069840 /nfs/dbraw/zinc/06/98/40/1068069840.db2.gz HBIBBWQRZJSGTB-GASCZTMLSA-N 1 3 315.477 2.293 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3=CCCCC3)C[C@H]21 ZINC001570960998 1068166235 /nfs/dbraw/zinc/16/62/35/1068166235.db2.gz DITVSUNDFJOUGH-NNZMDNLPSA-N 1 3 319.493 2.123 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CC3=CCCCC3)C[C@H]21 ZINC001570960998 1068166239 /nfs/dbraw/zinc/16/62/39/1068166239.db2.gz DITVSUNDFJOUGH-NNZMDNLPSA-N 1 3 319.493 2.123 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CCCF)CN1C(=O)c1cccc(CN(C)C)c1 ZINC001571493210 1068351139 /nfs/dbraw/zinc/35/11/39/1068351139.db2.gz OCQVIHDIKLNJCH-PBHICJAKSA-N 1 3 321.440 2.300 20 0 DEADHO CC[N@H+](C)CCC(=O)NCCN(C)[C@H](C)c1cccc(F)c1 ZINC001480932829 1078760964 /nfs/dbraw/zinc/76/09/64/1078760964.db2.gz RQQYQPURKZOBEL-CQSZACIVSA-N 1 3 309.429 2.277 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCCN(C)[C@H](C)c1cccc(F)c1 ZINC001480932829 1078760967 /nfs/dbraw/zinc/76/09/67/1078760967.db2.gz RQQYQPURKZOBEL-CQSZACIVSA-N 1 3 309.429 2.277 20 0 DEADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@H](N)C(C)(C)C)C1 ZINC001573590140 1069044656 /nfs/dbraw/zinc/04/46/56/1069044656.db2.gz NOAFTPSHAQCUDG-BMFZPTHFSA-N 1 3 303.450 2.312 20 0 DEADHO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@H](N)C(C)(C)C)C1 ZINC001573590140 1069044657 /nfs/dbraw/zinc/04/46/57/1069044657.db2.gz NOAFTPSHAQCUDG-BMFZPTHFSA-N 1 3 303.450 2.312 20 0 DEADHO C[NH+]1CCC(N(C(=O)[C@H](N)C(C)(C)C)c2ccccc2)CC1 ZINC001573882818 1069125698 /nfs/dbraw/zinc/12/56/98/1069125698.db2.gz JRWMYKQSAYVMDM-INIZCTEOSA-N 1 3 303.450 2.487 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@H](CC[NH2+]C/C=C\Cl)C1)N(C)C ZINC001272465439 1078899412 /nfs/dbraw/zinc/89/94/12/1078899412.db2.gz GLMVZGFVSUBIBM-PNPSXAPQSA-N 1 3 315.889 2.153 20 0 DEADHO CN1CCC[C@@H](N[C@@H](C[NH3+])c2ccc(Br)cc2)C1 ZINC001255471752 1083796280 /nfs/dbraw/zinc/79/62/80/1083796280.db2.gz GFPDPESAJISNGI-KGLIPLIRSA-N 1 3 312.255 2.133 20 0 DEADHO CCN(C(=O)C[NH2+]C(C)(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001645678582 1078960593 /nfs/dbraw/zinc/96/05/93/1078960593.db2.gz YXPMYSNRHRJWMJ-KRWDZBQOSA-N 1 3 317.477 2.498 20 0 DEADHO CC[C@@H]1CN(C)CCCN1C(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001548698974 1072815094 /nfs/dbraw/zinc/81/50/94/1072815094.db2.gz ZAZBOECFESKZPP-VQHPVUNQSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@@H]1CN(C)CCCN1C(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@H+]2C1 ZINC001548698974 1072815098 /nfs/dbraw/zinc/81/50/98/1072815098.db2.gz ZAZBOECFESKZPP-VQHPVUNQSA-N 1 3 307.482 2.050 20 0 DEADHO F[C@@H]1C[C@@H](CN[C@H]2CCC[NH2+]CC2)N(Cc2cccs2)C1 ZINC001548919725 1072938701 /nfs/dbraw/zinc/93/87/01/1072938701.db2.gz FMWNHEWHTVWOSI-ILXRZTDVSA-N 1 3 311.470 2.392 20 0 DEADHO CN(CCc1c(Cl)cccc1Cl)CCN1CC[NH2+]CC1 ZINC001236084149 1079084488 /nfs/dbraw/zinc/08/44/88/1079084488.db2.gz ZDAAIHGVKFRCLD-UHFFFAOYSA-N 1 3 316.276 2.373 20 0 DEADHO [NH3+][C@H]1C[C@@H]1c1ccc(NC(=O)c2ccc3c(c2)CNCC3)cc1 ZINC001550099105 1073426449 /nfs/dbraw/zinc/42/64/49/1073426449.db2.gz OIAARKLEIIUFCG-MSOLQXFVSA-N 1 3 307.397 2.399 20 0 DEADHO Cc1cc(C)c(CN[C@@H]2CCC[C@H]2[N@@H+]2CC[C@H](O)C2)c(C)n1 ZINC001550133423 1073449805 /nfs/dbraw/zinc/44/98/05/1073449805.db2.gz GFVJTTOKIHSQRC-CGTJXYLNSA-N 1 3 303.450 2.084 20 0 DEADHO Cc1cc(C)c(CN[C@@H]2CCC[C@H]2[N@H+]2CC[C@H](O)C2)c(C)n1 ZINC001550133423 1073449815 /nfs/dbraw/zinc/44/98/15/1073449815.db2.gz GFVJTTOKIHSQRC-CGTJXYLNSA-N 1 3 303.450 2.084 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1([NH2+]CC[C@H](C)F)CC1 ZINC001483772572 1079102387 /nfs/dbraw/zinc/10/23/87/1079102387.db2.gz ALKPLSXOADOLJA-LSDHHAIUSA-N 1 3 313.461 2.236 20 0 DEADHO N[C@H](CC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC001550233291 1073524542 /nfs/dbraw/zinc/52/45/42/1073524542.db2.gz CPWRLALOEQXIOS-SJLPKXTDSA-N 1 3 301.434 2.069 20 0 DEADHO C[C@H](C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)N1CCCCCC1 ZINC001550239858 1073532358 /nfs/dbraw/zinc/53/23/58/1073532358.db2.gz QWJBAWJMJOYNGU-SJLPKXTDSA-N 1 3 307.482 2.243 20 0 DEADHO CC[N@H+](C)CCC(=O)NCC1(NCc2cccc(C)c2)CC1 ZINC001483782011 1079118408 /nfs/dbraw/zinc/11/84/08/1079118408.db2.gz YKXXUOGJIITXNY-UHFFFAOYSA-N 1 3 303.450 2.075 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCC1(NCc2cccc(C)c2)CC1 ZINC001483782011 1079118415 /nfs/dbraw/zinc/11/84/15/1079118415.db2.gz YKXXUOGJIITXNY-UHFFFAOYSA-N 1 3 303.450 2.075 20 0 DEADHO C[C@@H](NC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1)c1ccc(F)cc1 ZINC001483790124 1079123501 /nfs/dbraw/zinc/12/35/01/1079123501.db2.gz BZLSGSVXAWROJW-HIFRSBDPSA-N 1 3 319.424 2.077 20 0 DEADHO C[C@@H](NC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1)c1ccc(F)cc1 ZINC001483790124 1079123507 /nfs/dbraw/zinc/12/35/07/1079123507.db2.gz BZLSGSVXAWROJW-HIFRSBDPSA-N 1 3 319.424 2.077 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NCc1cnn(C(C)C)c1)C2 ZINC001550422561 1073646874 /nfs/dbraw/zinc/64/68/74/1073646874.db2.gz YYMXWMCTSSXGBJ-XSLAGTTESA-N 1 3 320.481 2.033 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NCc1cnn(C(C)C)c1)C2 ZINC001550422561 1073646878 /nfs/dbraw/zinc/64/68/78/1073646878.db2.gz YYMXWMCTSSXGBJ-XSLAGTTESA-N 1 3 320.481 2.033 20 0 DEADHO CCC[C@H](C)[C@H](CO)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001414170795 1079144567 /nfs/dbraw/zinc/14/45/67/1079144567.db2.gz ZYLADMVUEDRHRF-NALMEZQBSA-N 1 3 312.498 2.407 20 0 DEADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2conc2C2CC2)C1 ZINC001550701950 1073812752 /nfs/dbraw/zinc/81/27/52/1073812752.db2.gz ITZNBGODIFPUPX-PMPSAXMXSA-N 1 3 305.422 2.413 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CC[N@H+](CC3CCCCC3)C2)C1 ZINC001481111955 1079195695 /nfs/dbraw/zinc/19/56/95/1079195695.db2.gz MEZSTGFIZDBUGY-AEFFLSMTSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001481111955 1079195697 /nfs/dbraw/zinc/19/56/97/1079195697.db2.gz MEZSTGFIZDBUGY-AEFFLSMTSA-N 1 3 321.509 2.347 20 0 DEADHO CN(CC(=O)N1CCC[C@H]1C[NH2+]CCC1CC1)CC(C)(C)C ZINC001483945102 1079202235 /nfs/dbraw/zinc/20/22/35/1079202235.db2.gz OAWJEXKRIWVTFQ-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)CC[NH+]1CCC(C)(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001483971194 1079213433 /nfs/dbraw/zinc/21/34/33/1079213433.db2.gz PDHOABRZTPLUEM-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CCn1cc(C[NH2+]C2CCC(C)(N3CCOCC3)CC2)c(C)n1 ZINC001551238644 1074128770 /nfs/dbraw/zinc/12/87/70/1074128770.db2.gz SKDJCYKDBXLYQX-UHFFFAOYSA-N 1 3 320.481 2.335 20 0 DEADHO CCC[N@H+](CCNC(=O)[C@H]1CCCN1C(C)C)CC1CCC1 ZINC001481136616 1079243524 /nfs/dbraw/zinc/24/35/24/1079243524.db2.gz KGDHFXIGEZYETF-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@@H+](CCNC(=O)[C@H]1CCCN1C(C)C)CC1CCC1 ZINC001481136616 1079243531 /nfs/dbraw/zinc/24/35/31/1079243531.db2.gz KGDHFXIGEZYETF-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)N[C@@H](C)c1ccccc1F ZINC001369274645 1148888219 /nfs/dbraw/zinc/88/82/19/1148888219.db2.gz HEZBMRYXUWHRHE-KGLIPLIRSA-N 1 3 309.429 2.275 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@H]2CCCC[NH2+]C2)N(C)C)cc1 ZINC001552420911 1074573131 /nfs/dbraw/zinc/57/31/31/1074573131.db2.gz WQUYTBOPXLGTHQ-DLBZAZTESA-N 1 3 303.450 2.104 20 0 DEADHO CCn1nccc1[C@H]1OCCC[C@H]1C[NH+]1CCC(N(C)C)CC1 ZINC001552520017 1074593362 /nfs/dbraw/zinc/59/33/62/1074593362.db2.gz XFPYVKQGYDRXLL-YJBOKZPZSA-N 1 3 320.481 2.397 20 0 DEADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC[C@]12CC[NH2+]C2 ZINC001646826113 1074637221 /nfs/dbraw/zinc/63/72/21/1074637221.db2.gz JCHLJPVUSHPFBX-LJQANCHMSA-N 1 3 313.445 2.251 20 0 DEADHO CCC(=O)N1CC[C@H]([NH2+]Cc2cc3c(s2)CCNC3)[C@@H](C)C1 ZINC001552769954 1074652202 /nfs/dbraw/zinc/65/22/02/1074652202.db2.gz FWGRRFCJEFZSIY-WFASDCNBSA-N 1 3 321.490 2.130 20 0 DEADHO CCCN(C)CC(=O)NCC1(C)CC[NH+](CCC2CC2)CC1 ZINC001484146278 1079322826 /nfs/dbraw/zinc/32/28/26/1079322826.db2.gz ZZLOLMOIVLCFCW-UHFFFAOYSA-N 1 3 309.498 2.347 20 0 DEADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1ccc2c(c1)CNC2 ZINC001647382985 1074905215 /nfs/dbraw/zinc/90/52/15/1074905215.db2.gz GFRYRMLLQVDVLV-CQSZACIVSA-N 1 3 322.412 2.036 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)N1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC001553556610 1074915482 /nfs/dbraw/zinc/91/54/82/1074915482.db2.gz YCQHXDNUTWXAFY-JKSUJKDBSA-N 1 3 322.497 2.164 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@]1(C)CCCN(CCC(F)(F)F)C1 ZINC001484168049 1079341599 /nfs/dbraw/zinc/34/15/99/1079341599.db2.gz VHUVTADJUSSPAT-AWEZNQCLSA-N 1 3 323.403 2.109 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N[C@H]1C[C@H](C[NH3+])C1)c1ccsc1 ZINC001647554660 1074945739 /nfs/dbraw/zinc/94/57/39/1074945739.db2.gz ONQWKWXBPPCSRO-QEJZJMRPSA-N 1 3 324.494 2.168 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC001414174832 1079365843 /nfs/dbraw/zinc/36/58/43/1079365843.db2.gz QFXSATQZXWLSHO-QLOLRVAOSA-N 1 3 308.466 2.177 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC001414174842 1079367778 /nfs/dbraw/zinc/36/77/78/1079367778.db2.gz QFXSATQZXWLSHO-UMQBVGHOSA-N 1 3 308.466 2.177 20 0 DEADHO CCCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC1CC[NH+](C)CC1 ZINC001267714000 1079401443 /nfs/dbraw/zinc/40/14/43/1079401443.db2.gz YERIITIPCQFPAM-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO Cc1cc(C[NH2+]CCN(C)C(=O)[C@@H]2CCCN2C)c(C)s1 ZINC001481216255 1079416314 /nfs/dbraw/zinc/41/63/14/1079416314.db2.gz WTXFIZLIRQKPNT-HNNXBMFYSA-N 1 3 309.479 2.007 20 0 DEADHO CC(C)=CCN1CC[C@@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001267778793 1079489143 /nfs/dbraw/zinc/48/91/43/1079489143.db2.gz HJOYEVVSSQPTLL-QGZVFWFLSA-N 1 3 307.482 2.361 20 0 DEADHO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc2c(c1)CNC2 ZINC001580661970 1075971512 /nfs/dbraw/zinc/97/15/12/1075971512.db2.gz WWORFIAPCRVJQV-GOSISDBHSA-N 1 3 313.445 2.427 20 0 DEADHO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1ccc2c(c1)CNC2 ZINC001580661970 1075971519 /nfs/dbraw/zinc/97/15/19/1075971519.db2.gz WWORFIAPCRVJQV-GOSISDBHSA-N 1 3 313.445 2.427 20 0 DEADHO C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589962299 1076537202 /nfs/dbraw/zinc/53/72/02/1076537202.db2.gz RVKSTTLGTNQUPB-ZIAGYGMSSA-N 1 3 314.437 2.249 20 0 DEADHO C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589962299 1076537205 /nfs/dbraw/zinc/53/72/05/1076537205.db2.gz RVKSTTLGTNQUPB-ZIAGYGMSSA-N 1 3 314.437 2.249 20 0 DEADHO C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589962299 1076537210 /nfs/dbraw/zinc/53/72/10/1076537210.db2.gz RVKSTTLGTNQUPB-ZIAGYGMSSA-N 1 3 314.437 2.249 20 0 DEADHO C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589962299 1076537215 /nfs/dbraw/zinc/53/72/15/1076537215.db2.gz RVKSTTLGTNQUPB-ZIAGYGMSSA-N 1 3 314.437 2.249 20 0 DEADHO CC(C)CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001484338778 1079548179 /nfs/dbraw/zinc/54/81/79/1079548179.db2.gz OQUDQSJYVXRJMG-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@](C)(C[NH2+]CCF)C2CC2)c1 ZINC001267865141 1079552435 /nfs/dbraw/zinc/55/24/35/1079552435.db2.gz SOWLSHDBAAMPAF-SFHVURJKSA-N 1 3 321.440 2.206 20 0 DEADHO O=C(Nc1ccc2c(c1)OCCNC2)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001650376153 1079572828 /nfs/dbraw/zinc/57/28/28/1079572828.db2.gz WUVWCDJEFHBHCR-JKSUJKDBSA-N 1 3 315.417 2.124 20 0 DEADHO O=C(Nc1ccc2c(c1)OCCNC2)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001650376153 1079572835 /nfs/dbraw/zinc/57/28/35/1079572835.db2.gz WUVWCDJEFHBHCR-JKSUJKDBSA-N 1 3 315.417 2.124 20 0 DEADHO O=C(Nc1ccc2c(c1)OCCNC2)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001650376151 1079572863 /nfs/dbraw/zinc/57/28/63/1079572863.db2.gz WUVWCDJEFHBHCR-HZPDHXFCSA-N 1 3 315.417 2.124 20 0 DEADHO O=C(Nc1ccc2c(c1)OCCNC2)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001650376151 1079572869 /nfs/dbraw/zinc/57/28/69/1079572869.db2.gz WUVWCDJEFHBHCR-HZPDHXFCSA-N 1 3 315.417 2.124 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCC1 ZINC001267952948 1079633516 /nfs/dbraw/zinc/63/35/16/1079633516.db2.gz AJUDXTHXPWWCOF-IAGOWNOFSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)CCC[NH2+]C[C@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001267962858 1079642735 /nfs/dbraw/zinc/64/27/35/1079642735.db2.gz ABFJKYPHDJHKSG-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1ccc(C[NH2+]CCN(C)C(=O)CN(C)C(C)C)cc1C ZINC001481320024 1079716860 /nfs/dbraw/zinc/71/68/60/1079716860.db2.gz SQZVHLMAZXUPGU-UHFFFAOYSA-N 1 3 305.466 2.192 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CCC[N@H+](CCCCCF)CC1)N(C)C ZINC001484717131 1079742245 /nfs/dbraw/zinc/74/22/45/1079742245.db2.gz DQWJOJZBFBKALY-JKSUJKDBSA-N 1 3 315.477 2.437 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CCC[N@@H+](CCCCCF)CC1)N(C)C ZINC001484717131 1079742252 /nfs/dbraw/zinc/74/22/52/1079742252.db2.gz DQWJOJZBFBKALY-JKSUJKDBSA-N 1 3 315.477 2.437 20 0 DEADHO CCCN(C)CC(=O)N1CCC(C)([NH2+]Cc2ccccc2)CC1 ZINC001484926637 1079858471 /nfs/dbraw/zinc/85/84/71/1079858471.db2.gz GURIYXCBFHBAHS-UHFFFAOYSA-N 1 3 317.477 2.499 20 0 DEADHO Cn1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c(-c2cccnc2)n1 ZINC000067187628 1079876354 /nfs/dbraw/zinc/87/63/54/1079876354.db2.gz AHXAIIKXJOWISC-CQSZACIVSA-N 1 3 311.433 2.056 20 0 DEADHO CC(C)[C@H](C(=O)NC1CC(C[NH2+]CCC(F)(F)F)C1)N(C)C ZINC001485100749 1079973906 /nfs/dbraw/zinc/97/39/06/1079973906.db2.gz IHJGCBNDCWGBSV-WXRRBKDZSA-N 1 3 323.403 2.009 20 0 DEADHO CC[C@@H](F)C[NH2+]CC1CC(NC(=O)CN(C)CC(C)(C)C)C1 ZINC001485102436 1079974544 /nfs/dbraw/zinc/97/45/44/1079974544.db2.gz FAKOCIBUXKPLKF-SHARSMKWSA-N 1 3 315.477 2.197 20 0 DEADHO CCCN(C)CC(=O)NC1CC(C[NH2+]Cc2ccsc2)C1 ZINC001485108863 1079986268 /nfs/dbraw/zinc/98/62/68/1079986268.db2.gz QURYEOMWNSYLAI-UHFFFAOYSA-N 1 3 309.479 2.074 20 0 DEADHO Cc1cccc(CN2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001481528021 1080003867 /nfs/dbraw/zinc/00/38/67/1080003867.db2.gz BIIYCAWOSAJWQG-QGZVFWFLSA-N 1 3 303.450 2.027 20 0 DEADHO C[C@H]1CN(CCCC[NH2+]Cc2cnn(C)c2C2CC2)C[C@H](C)O1 ZINC001655681128 1080011656 /nfs/dbraw/zinc/01/16/56/1080011656.db2.gz GGWXPXSKXPHVRN-GJZGRUSLSA-N 1 3 320.481 2.277 20 0 DEADHO Cc1cccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001485156485 1080019331 /nfs/dbraw/zinc/01/93/31/1080019331.db2.gz HINGVHUPNCHUTH-HOTGVXAUSA-N 1 3 317.477 2.462 20 0 DEADHO C[C@H](NCc1sccc1Cl)[C@H](C)NC(=O)CC[NH+](C)C ZINC001485190976 1080055248 /nfs/dbraw/zinc/05/52/48/1080055248.db2.gz RTZWZAGPFHBIBD-QWRGUYRKSA-N 1 3 317.886 2.336 20 0 DEADHO COCCCN1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001660342697 1080313739 /nfs/dbraw/zinc/31/37/39/1080313739.db2.gz JJGUYKUQXSHFQU-UHFFFAOYSA-N 1 3 306.450 2.247 20 0 DEADHO COCCCN1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001660342697 1080313744 /nfs/dbraw/zinc/31/37/44/1080313744.db2.gz JJGUYKUQXSHFQU-UHFFFAOYSA-N 1 3 306.450 2.247 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](C)CC[C@@H](C)F ZINC001660408420 1080328041 /nfs/dbraw/zinc/32/80/41/1080328041.db2.gz GVIJLTCENFSCTR-CABCVRRESA-N 1 3 301.450 2.047 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](C)CC[C@@H](C)F ZINC001660408420 1080328043 /nfs/dbraw/zinc/32/80/43/1080328043.db2.gz GVIJLTCENFSCTR-CABCVRRESA-N 1 3 301.450 2.047 20 0 DEADHO C[C@H](CCC[NH2+]CCF)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001485739318 1080400907 /nfs/dbraw/zinc/40/09/07/1080400907.db2.gz PYOZXTPPWMLWRZ-CZUORRHYSA-N 1 3 319.440 2.043 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CCC(F)(F)F ZINC001268426233 1080457873 /nfs/dbraw/zinc/45/78/73/1080457873.db2.gz LRKIUOWIEALMBD-CHWSQXEVSA-N 1 3 323.403 2.298 20 0 DEADHO CCN(CC[NH2+]Cc1cc(C)sc1C)C(=O)[C@@H]1CCCN1C ZINC001268439338 1080468413 /nfs/dbraw/zinc/46/84/13/1080468413.db2.gz NNIGUJNUPVAKTM-INIZCTEOSA-N 1 3 323.506 2.397 20 0 DEADHO CC[C@H](CNC(=O)C1CC[NH+](C)CC1)NCC=C(Cl)Cl ZINC001481848682 1080542324 /nfs/dbraw/zinc/54/23/24/1080542324.db2.gz QAQIQULXDOTBLA-GFCCVEGCSA-N 1 3 322.280 2.132 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)NCc1ccns1 ZINC001481817601 1080522738 /nfs/dbraw/zinc/52/27/38/1080522738.db2.gz YBUUUMITEDLYMG-ZFWWWQNUSA-N 1 3 324.494 2.002 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)NCc1ccns1 ZINC001481817601 1080522744 /nfs/dbraw/zinc/52/27/44/1080522744.db2.gz YBUUUMITEDLYMG-ZFWWWQNUSA-N 1 3 324.494 2.002 20 0 DEADHO C[C@H]1CCN(CC(=O)NC2(C[NH2+]C/C=C/Cl)CCCC2)C1 ZINC001481903805 1080592165 /nfs/dbraw/zinc/59/21/65/1080592165.db2.gz JUIRFFZNNQXKBQ-PXYYCUNGSA-N 1 3 313.873 2.099 20 0 DEADHO CCN(CCNC/C=C/Cl)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001268491652 1080624605 /nfs/dbraw/zinc/62/46/05/1080624605.db2.gz RLCWZIPUJCLETD-VOTDVEDPSA-N 1 3 315.889 2.297 20 0 DEADHO CCCCC[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001662700288 1080637352 /nfs/dbraw/zinc/63/73/52/1080637352.db2.gz CCKDUXGXLWOSJG-KRWDZBQOSA-N 1 3 309.498 2.347 20 0 DEADHO CCN(CC[NH2+]Cc1ccc(C)c(F)c1)C(=O)CN1CCCC1 ZINC001268498849 1080643684 /nfs/dbraw/zinc/64/36/84/1080643684.db2.gz XKUJRRCWLMLWRH-UHFFFAOYSA-N 1 3 321.440 2.168 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC(CC[NH2+]CCC2CC2)CC1 ZINC001482010907 1080686068 /nfs/dbraw/zinc/68/60/68/1080686068.db2.gz XEHKSVWRLHUPKH-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC1CC[NH+](CCC2CC2)CC1 ZINC001482049676 1080748713 /nfs/dbraw/zinc/74/87/13/1080748713.db2.gz FIYIMRZOSOEKBM-UHFFFAOYSA-N 1 3 318.465 2.279 20 0 DEADHO CC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001663593891 1080784952 /nfs/dbraw/zinc/78/49/52/1080784952.db2.gz XNBIBERCQUTISM-DWTRPJMMSA-N 1 3 307.482 2.265 20 0 DEADHO CC/C=C/CC[N@H+]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001663593891 1080784956 /nfs/dbraw/zinc/78/49/56/1080784956.db2.gz XNBIBERCQUTISM-DWTRPJMMSA-N 1 3 307.482 2.265 20 0 DEADHO CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1cc(C)sc1C)N(C)C ZINC001268617639 1080894957 /nfs/dbraw/zinc/89/49/57/1080894957.db2.gz ONRAEPWUDNKKTO-XITLMJRVSA-N 1 3 323.506 2.467 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1csc(C)c1 ZINC001664395442 1080903911 /nfs/dbraw/zinc/90/39/11/1080903911.db2.gz RBPPZWXYVYIRME-INIZCTEOSA-N 1 3 323.506 2.479 20 0 DEADHO C[C@H](C[NH2+]CCC1CCCCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001268661968 1080921737 /nfs/dbraw/zinc/92/17/37/1080921737.db2.gz RBHVBJRNHVGMOO-HZPDHXFCSA-N 1 3 309.498 2.393 20 0 DEADHO CC/C=C/CC[NH+]1CC(CNC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001268910725 1081041019 /nfs/dbraw/zinc/04/10/19/1081041019.db2.gz CUKQAAMSUYROIW-AXHPFZFWSA-N 1 3 307.482 2.264 20 0 DEADHO CC[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CCCF ZINC001269168574 1081148846 /nfs/dbraw/zinc/14/88/46/1081148846.db2.gz HSKQXDUWJUFOJE-HOCLYGCPSA-N 1 3 313.461 2.047 20 0 DEADHO CC[N@H+](C)CCC(=O)N(C)[C@H](C)CNCC=C(Cl)Cl ZINC001667023780 1081203362 /nfs/dbraw/zinc/20/33/62/1081203362.db2.gz QJWOHHPGNGRUBB-LLVKDONJSA-N 1 3 310.269 2.084 20 0 DEADHO CC[N@@H+](C)CCC(=O)N(C)[C@H](C)CNCC=C(Cl)Cl ZINC001667023780 1081203365 /nfs/dbraw/zinc/20/33/65/1081203365.db2.gz QJWOHHPGNGRUBB-LLVKDONJSA-N 1 3 310.269 2.084 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1[NH2+]CCCF ZINC001667198161 1081223549 /nfs/dbraw/zinc/22/35/49/1081223549.db2.gz NNRXFLSEDVXSEN-CABCVRRESA-N 1 3 315.477 2.151 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H](CC[NH2+]C/C=C/Cl)C1 ZINC001269711973 1081342310 /nfs/dbraw/zinc/34/23/10/1081342310.db2.gz MOCCIWDAZCOOPM-VSWCJUERSA-N 1 3 313.873 2.051 20 0 DEADHO CC(C)[NH+]1CC2(C1)CCN(C(=O)CN(C)CC(C)(C)C)CC2 ZINC001482244942 1081376217 /nfs/dbraw/zinc/37/62/17/1081376217.db2.gz MFWLVPPJMJSTBY-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H]1CCN(CC(=O)NC/C=C\C[NH2+]CC2CCCCC2)C1 ZINC001669039565 1081422633 /nfs/dbraw/zinc/42/26/33/1081422633.db2.gz OJPPMEIXGSMOSD-KJPDOMRESA-N 1 3 307.482 2.171 20 0 DEADHO CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1ccc(C)c(C)c1)N(C)C ZINC001669146388 1081432744 /nfs/dbraw/zinc/43/27/44/1081432744.db2.gz RZKCAHHOUVURKP-JTHGQSKGSA-N 1 3 317.477 2.406 20 0 DEADHO CC[NH+](CC)CCO[C@H]1CCN(CCC(=O)OC(C)(C)C)C1 ZINC001363193786 1081442995 /nfs/dbraw/zinc/44/29/95/1081442995.db2.gz BGJKBNGHKCCPQM-HNNXBMFYSA-N 1 3 314.470 2.151 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCc1cccs1)N(C)C ZINC001270293489 1081495301 /nfs/dbraw/zinc/49/53/01/1081495301.db2.gz SAVUCYRUYTWRNE-ZBFHGGJFSA-N 1 3 323.506 2.211 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@](C)(C[NH2+]CCC3CC3)C2)CC1 ZINC001671796161 1081539210 /nfs/dbraw/zinc/53/92/10/1081539210.db2.gz RXFNXDFITKZCNI-LJQANCHMSA-N 1 3 321.509 2.347 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@](C)(C[NH2+]CCC2CC2)C1)N(C)C ZINC001270788290 1081713537 /nfs/dbraw/zinc/71/35/37/1081713537.db2.gz IJBBGFGSFZPQDZ-SJLPKXTDSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1[NH2+]CCCF ZINC001673929648 1081815654 /nfs/dbraw/zinc/81/56/54/1081815654.db2.gz UONMXBGQUGZONU-WMLDXEAASA-N 1 3 321.440 2.158 20 0 DEADHO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCN1C1CCCCC1)C2 ZINC001270915990 1081835684 /nfs/dbraw/zinc/83/56/84/1081835684.db2.gz LGPCHBWHXHSIOJ-PKOBYXMFSA-N 1 3 319.493 2.338 20 0 DEADHO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCN1C1CCCCC1)C2 ZINC001270915990 1081835693 /nfs/dbraw/zinc/83/56/93/1081835693.db2.gz LGPCHBWHXHSIOJ-PKOBYXMFSA-N 1 3 319.493 2.338 20 0 DEADHO COCCN(C)CCC[NH2+]Cc1cc(OC)cc2c1O[C@H](C)C2 ZINC001648786317 1081927634 /nfs/dbraw/zinc/92/76/34/1081927634.db2.gz VMFYYTOZPBNDRQ-CQSZACIVSA-N 1 3 322.449 2.077 20 0 DEADHO CC[C@@H](CNC(=O)CC1CC([NH3+])C1)N1CCc2ccccc2C1 ZINC001648965343 1081959620 /nfs/dbraw/zinc/95/96/20/1081959620.db2.gz NEIBEERHRJJGCW-UYJHFMRCSA-N 1 3 315.461 2.067 20 0 DEADHO CN(C)C1(C(=O)NCC[N@H+](C)CC2CCC3(CC3)CC2)CCC1 ZINC001480872547 1082029948 /nfs/dbraw/zinc/02/99/48/1082029948.db2.gz BZLIVKUEIUJBSH-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CN(C)C1(C(=O)NCC[N@@H+](C)CC2CCC3(CC3)CC2)CCC1 ZINC001480872547 1082029956 /nfs/dbraw/zinc/02/99/56/1082029956.db2.gz BZLIVKUEIUJBSH-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CCC1CC1 ZINC001271566017 1082083179 /nfs/dbraw/zinc/08/31/79/1082083179.db2.gz LQBGHVFLSSYJPE-IAGOWNOFSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)[C@@H]1CNCCF ZINC001271759306 1082148110 /nfs/dbraw/zinc/14/81/10/1082148110.db2.gz OYAUBUIHZUAFBA-JKSUJKDBSA-N 1 3 313.461 2.049 20 0 DEADHO O=C(CCCC[NH+]1CCCC1)N1CC[C@H](NC/C=C/Cl)C1 ZINC001266569721 1082165672 /nfs/dbraw/zinc/16/56/72/1082165672.db2.gz JRYVIJFATWLFDR-PXTSUWAFSA-N 1 3 313.873 2.196 20 0 DEADHO CC(C)=CC[NH2+]C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001266790335 1082345546 /nfs/dbraw/zinc/34/55/46/1082345546.db2.gz GJFCIUKYZMLBDK-INIZCTEOSA-N 1 3 307.482 2.265 20 0 DEADHO CN(C)C1(C(=O)N(C)CC[N@H+](C)CC2CCCCC2)CCC1 ZINC001482602882 1082371361 /nfs/dbraw/zinc/37/13/61/1082371361.db2.gz KFMHPUBKVFUINZ-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CN(C)C1(C(=O)N(C)CC[N@@H+](C)CC2CCCCC2)CCC1 ZINC001482602882 1082371365 /nfs/dbraw/zinc/37/13/65/1082371365.db2.gz KFMHPUBKVFUINZ-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CCN(CC[NH2+]Cc1ccc(F)cc1)C(=O)C1(N(C)C)CCC1 ZINC001482931409 1082566233 /nfs/dbraw/zinc/56/62/33/1082566233.db2.gz OWEKTPBAZKOZEY-UHFFFAOYSA-N 1 3 321.440 2.248 20 0 DEADHO CCc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCCN2C)cc1 ZINC001482990916 1082611137 /nfs/dbraw/zinc/61/11/37/1082611137.db2.gz JSBICJRYORNKLM-XDXAGZTOSA-N 1 3 315.461 2.105 20 0 DEADHO C[C@@H]([NH2+]C/C=C\CNC(=O)[C@H]1CCCN1C)c1ccc(F)cc1 ZINC001483044303 1082647641 /nfs/dbraw/zinc/64/76/41/1082647641.db2.gz OMSCXIBLHBCHOJ-SWTGODCJSA-N 1 3 319.424 2.243 20 0 DEADHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(Cl)cc1 ZINC001483045742 1082657925 /nfs/dbraw/zinc/65/79/25/1082657925.db2.gz YJVDVAGVWWLFGI-RXYHWBRQSA-N 1 3 321.852 2.196 20 0 DEADHO CC(C)[C@H](C(=O)NC/C=C/CNCc1ccsc1)[NH+](C)C ZINC001483057848 1082674312 /nfs/dbraw/zinc/67/43/12/1082674312.db2.gz QWCQTKSKEKCDKP-LLYBFZRZSA-N 1 3 309.479 2.096 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CN(C)C2CCC2)cc1 ZINC001409403346 1082869331 /nfs/dbraw/zinc/86/93/31/1082869331.db2.gz VVIXSUGIQLYKSZ-HOTGVXAUSA-N 1 3 317.477 2.462 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N(C)CC(C)(C)C[NH2+]CC1CC1 ZINC001409455419 1082899524 /nfs/dbraw/zinc/89/95/24/1082899524.db2.gz UMLOCXZEVZCGPQ-MRXNPFEDSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC1CC2(CCC2)C1)N(C)C ZINC001409629300 1082994430 /nfs/dbraw/zinc/99/44/30/1082994430.db2.gz DYQOSWKJUJUGKU-HOCLYGCPSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CC1CC2(CCC2)C1)N(C)C ZINC001409629300 1082994435 /nfs/dbraw/zinc/99/44/35/1082994435.db2.gz DYQOSWKJUJUGKU-HOCLYGCPSA-N 1 3 309.498 2.343 20 0 DEADHO CC/C=C/CC[NH+]1CC([C@H](C)NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001276454245 1083445010 /nfs/dbraw/zinc/44/50/10/1083445010.db2.gz UZEMSXBIXODNFT-QFTYNREVSA-N 1 3 309.498 2.365 20 0 DEADHO [NH3+]C[C@@]1(O)CCCN(Cc2ccccc2Br)CC1 ZINC001205211457 1083822879 /nfs/dbraw/zinc/82/28/79/1083822879.db2.gz UVWYFNYTNVAJPA-CQSZACIVSA-N 1 3 313.239 2.125 20 0 DEADHO COc1nc(OC)c(CN2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cc1C ZINC001277198955 1083843458 /nfs/dbraw/zinc/84/34/58/1083843458.db2.gz JQPKZEYXWROGAA-GASCZTMLSA-N 1 3 319.449 2.181 20 0 DEADHO COc1nc(OC)c(CN2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)cc1C ZINC001277198955 1083843464 /nfs/dbraw/zinc/84/34/64/1083843464.db2.gz JQPKZEYXWROGAA-GASCZTMLSA-N 1 3 319.449 2.181 20 0 DEADHO [NH3+]CC[C@H]1CN(c2cccnc2OC2CNC2)c2ccccc21 ZINC001168547457 1083852586 /nfs/dbraw/zinc/85/25/86/1083852586.db2.gz DCXBOZKQNCZYGD-ZDUSSCGKSA-N 1 3 310.401 2.016 20 0 DEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCCCN2C)C1 ZINC001413713726 1083894163 /nfs/dbraw/zinc/89/41/63/1083894163.db2.gz IWVIEZRZPUBFIS-HZPDHXFCSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCCCN2C)C1 ZINC001413713726 1083894181 /nfs/dbraw/zinc/89/41/81/1083894181.db2.gz IWVIEZRZPUBFIS-HZPDHXFCSA-N 1 3 324.513 2.280 20 0 DEADHO Cc1ccnc(N2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)c1 ZINC001277679579 1084093870 /nfs/dbraw/zinc/09/38/70/1084093870.db2.gz FYNYAVOFFJFMPP-GOSISDBHSA-N 1 3 302.466 2.244 20 0 DEADHO CC(C)CC[C@H](N)C(=O)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC001649089321 1084106150 /nfs/dbraw/zinc/10/61/50/1084106150.db2.gz HPWQWCMGGDXYGH-WBVHZDCISA-N 1 3 309.498 2.378 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@H](C[NH2+]C/C=C\Cl)C2)CCC1 ZINC001491153996 1084114735 /nfs/dbraw/zinc/11/47/35/1084114735.db2.gz PHNYFQMRTXCWQT-VYLZPFMQSA-N 1 3 313.873 2.051 20 0 DEADHO CC(C)=CC[NH2+]C[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001491161118 1084119984 /nfs/dbraw/zinc/11/99/84/1084119984.db2.gz SJZQCVKIFZUMIB-SJORKVTESA-N 1 3 309.498 2.367 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])c1 ZINC001649112060 1084132232 /nfs/dbraw/zinc/13/22/32/1084132232.db2.gz RGPAWVGHMGFYEQ-AEFFLSMTSA-N 1 3 301.434 2.092 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)NCc2ccsc2)C1 ZINC001491561025 1084147719 /nfs/dbraw/zinc/14/77/19/1084147719.db2.gz WUIHRONIDDUPEL-ZBFHGGJFSA-N 1 3 323.506 2.464 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](C)NCc2ccsc2)C1 ZINC001491561025 1084147724 /nfs/dbraw/zinc/14/77/24/1084147724.db2.gz WUIHRONIDDUPEL-ZBFHGGJFSA-N 1 3 323.506 2.464 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001491251295 1084181183 /nfs/dbraw/zinc/18/11/83/1084181183.db2.gz LLCZJGJWQYYQBO-CABCVRRESA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)[C@H](C(=O)N(C)[C@@H](C[NH2+]C/C=C/Cl)C1CC1)N(C)C ZINC001485832573 1084195546 /nfs/dbraw/zinc/19/55/46/1084195546.db2.gz OICVIHNZSWVJLL-OVPGCVMQSA-N 1 3 315.889 2.152 20 0 DEADHO Nc1cnccc1CN1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC001235095163 1084310580 /nfs/dbraw/zinc/31/05/80/1084310580.db2.gz VLTBBVCNZUNAOP-UHFFFAOYSA-N 1 3 308.429 2.301 20 0 DEADHO C[C@H](Cc1ccc2c(c1)OCO2)CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235255739 1084360727 /nfs/dbraw/zinc/36/07/27/1084360727.db2.gz OEXQTIZDYBFXAA-BMFZPTHFSA-N 1 3 302.418 2.278 20 0 DEADHO CCOC(=O)c1ccc(CN(C)CC2CC[NH+](C)CC2)nc1 ZINC001235871325 1084555283 /nfs/dbraw/zinc/55/52/83/1084555283.db2.gz XMZRDKJNIZHHMU-UHFFFAOYSA-N 1 3 305.422 2.032 20 0 DEADHO Nc1cc(CN2Cc3ccccc3C3(CC[NH2+]CC3)C2)ccn1 ZINC001235974703 1084578079 /nfs/dbraw/zinc/57/80/79/1084578079.db2.gz UJQUFOWMXKHZQV-UHFFFAOYSA-N 1 3 308.429 2.301 20 0 DEADHO CCOC(=O)[C@]12C[N@H+](Cc3ccc(CC)cc3)C[C@H]1CNCC2 ZINC001236039536 1084596830 /nfs/dbraw/zinc/59/68/30/1084596830.db2.gz XVOPZSFNOIRDDG-IEBWSBKVSA-N 1 3 316.445 2.224 20 0 DEADHO CCOC(=O)[C@]12C[N@@H+](Cc3ccc(CC)cc3)C[C@H]1CNCC2 ZINC001236039536 1084596838 /nfs/dbraw/zinc/59/68/38/1084596838.db2.gz XVOPZSFNOIRDDG-IEBWSBKVSA-N 1 3 316.445 2.224 20 0 DEADHO CCOC(=O)c1ccc(CCCN2CC[C@@H](C[NH2+]C)C2)cc1 ZINC001236068243 1084601962 /nfs/dbraw/zinc/60/19/62/1084601962.db2.gz WSYPCRCEVPQZPB-INIZCTEOSA-N 1 3 304.434 2.337 20 0 DEADHO CC1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]CC2CCC2)CC1 ZINC000960170004 1085137049 /nfs/dbraw/zinc/13/70/49/1085137049.db2.gz MFJKHZUVLJSHRX-SFHVURJKSA-N 1 3 321.509 2.489 20 0 DEADHO CN(CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CCC1)C1CCC1 ZINC000960666721 1085406969 /nfs/dbraw/zinc/40/69/69/1085406969.db2.gz FIRIIVAZDAQUKQ-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO CN(CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC1)C1CCC1 ZINC000960666721 1085406970 /nfs/dbraw/zinc/40/69/70/1085406970.db2.gz FIRIIVAZDAQUKQ-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000961342773 1085697320 /nfs/dbraw/zinc/69/73/20/1085697320.db2.gz RICFKHJZBCVSCZ-MSOLQXFVSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000961342773 1085697324 /nfs/dbraw/zinc/69/73/24/1085697324.db2.gz RICFKHJZBCVSCZ-MSOLQXFVSA-N 1 3 321.509 2.440 20 0 DEADHO CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC000961376479 1085710598 /nfs/dbraw/zinc/71/05/98/1085710598.db2.gz TXHNMASCMIWLSI-QZTJIDSGSA-N 1 3 321.509 2.297 20 0 DEADHO CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC000961376479 1085710605 /nfs/dbraw/zinc/71/06/05/1085710605.db2.gz TXHNMASCMIWLSI-QZTJIDSGSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CC2CCC2)C1 ZINC000961830138 1085872845 /nfs/dbraw/zinc/87/28/45/1085872845.db2.gz SRTOLHXDEMYQKI-OFLPRAFFSA-N 1 3 307.482 2.144 20 0 DEADHO CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C(C)C ZINC000961948611 1085917443 /nfs/dbraw/zinc/91/74/43/1085917443.db2.gz TWPFDYNEEUADOD-TWMKSMIVSA-N 1 3 307.482 2.096 20 0 DEADHO CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C(C)C ZINC000961948611 1085917455 /nfs/dbraw/zinc/91/74/55/1085917455.db2.gz TWPFDYNEEUADOD-TWMKSMIVSA-N 1 3 307.482 2.096 20 0 DEADHO CN(C(=O)[C@H]1CCCN1C)C1CCC([NH2+]CCC2CC2)CC1 ZINC000963155912 1086316557 /nfs/dbraw/zinc/31/65/57/1086316557.db2.gz DBSRYCQAHVKADB-OFLPRAFFSA-N 1 3 307.482 2.240 20 0 DEADHO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963315847 1086405368 /nfs/dbraw/zinc/40/53/68/1086405368.db2.gz ZWZNVIXRVOBRBB-WBVHZDCISA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963315847 1086405370 /nfs/dbraw/zinc/40/53/70/1086405370.db2.gz ZWZNVIXRVOBRBB-WBVHZDCISA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)C[NH2+]C1CCC(N(C)C(=O)CN2CCC[C@@H]2C)CC1 ZINC000963908299 1086594073 /nfs/dbraw/zinc/59/40/73/1086594073.db2.gz PVQKYOIMSLNCDA-GTPINHCMSA-N 1 3 309.498 2.486 20 0 DEADHO CC1CCC(CN2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)CC1 ZINC000957342671 1088196515 /nfs/dbraw/zinc/19/65/15/1088196515.db2.gz AYAIMJBGAUWVBM-UHFFFAOYSA-N 1 3 319.493 2.053 20 0 DEADHO CC(C)[NH+]1CCC2(CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000957517164 1088370363 /nfs/dbraw/zinc/37/03/63/1088370363.db2.gz KXLCWPWZNFPSCY-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO CC[NH+]1CCC2(CCN(C(=O)CN3CCC[C@H]3C)CC2)CC1 ZINC000957602859 1088450674 /nfs/dbraw/zinc/45/06/74/1088450674.db2.gz JAVMCILNYKMAOF-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)=CCN1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001079949182 1088512573 /nfs/dbraw/zinc/51/25/73/1088512573.db2.gz SEGXGDBAMFGNLB-IAGOWNOFSA-N 1 3 319.493 2.265 20 0 DEADHO C[C@@H](C(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C)N1CCCCCC1 ZINC001080554311 1089063206 /nfs/dbraw/zinc/06/32/06/1089063206.db2.gz KSTIIWNSLUNPAN-SOLBZPMBSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C)N1CCCCCC1 ZINC001080554311 1089063222 /nfs/dbraw/zinc/06/32/22/1089063222.db2.gz KSTIIWNSLUNPAN-SOLBZPMBSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[NH2+]C[C@@H]1c2ccccc2CCN1C(=O)Cc1c[nH]cn1 ZINC000958803113 1089193288 /nfs/dbraw/zinc/19/32/88/1089193288.db2.gz MBWMNJPGSLAUOB-QGZVFWFLSA-N 1 3 312.417 2.076 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csc(C)c2)C1)N(C)C ZINC001082589250 1090012672 /nfs/dbraw/zinc/01/26/72/1090012672.db2.gz RFXHPBJJIXASKH-DAXOMENPSA-N 1 3 323.506 2.333 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C)c2)C1)N(C)C ZINC001082747507 1090053508 /nfs/dbraw/zinc/05/35/08/1090053508.db2.gz WZAIDPCSRZPQDF-NXHRZFHOSA-N 1 3 317.477 2.272 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CC3)C[C@H]21 ZINC001084701771 1090402655 /nfs/dbraw/zinc/40/26/55/1090402655.db2.gz RBEQIIMCIUVYOP-FGTMMUONSA-N 1 3 319.493 2.192 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CC3)C[C@H]21 ZINC001084701771 1090402660 /nfs/dbraw/zinc/40/26/60/1090402660.db2.gz RBEQIIMCIUVYOP-FGTMMUONSA-N 1 3 319.493 2.192 20 0 DEADHO CN(Cc1ccccc1F)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001410249970 1090469098 /nfs/dbraw/zinc/46/90/98/1090469098.db2.gz PTVHGZLOVZEWIU-UHFFFAOYSA-N 1 3 321.440 2.200 20 0 DEADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]C/C=C\c1ccccc1)N(C)C ZINC001410431201 1090646796 /nfs/dbraw/zinc/64/67/96/1090646796.db2.gz FSDTZAFEVXOYLL-JBOJFFHUSA-N 1 3 317.477 2.477 20 0 DEADHO C[C@H](CN(C)C(=O)c1cccc(CN(C)C)c1)[NH2+]CC1CC1 ZINC001410508723 1091019862 /nfs/dbraw/zinc/01/98/62/1091019862.db2.gz LFZMMXXJPSUFPT-CQSZACIVSA-N 1 3 303.450 2.208 20 0 DEADHO CC[N@H+](C)CCN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001449264082 1091183158 /nfs/dbraw/zinc/18/31/58/1091183158.db2.gz BYYPRGDJIHPVCB-QGZVFWFLSA-N 1 3 315.477 2.388 20 0 DEADHO CC[N@@H+](C)CCN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001449264082 1091183165 /nfs/dbraw/zinc/18/31/65/1091183165.db2.gz BYYPRGDJIHPVCB-QGZVFWFLSA-N 1 3 315.477 2.388 20 0 DEADHO C[C@@H](NC/C=C/CNC(=O)CC[NH+](C)C)c1cccc(F)c1 ZINC001274330644 1091189888 /nfs/dbraw/zinc/18/98/88/1091189888.db2.gz DURUMYBYKXALLS-ISZGNANSSA-N 1 3 307.413 2.100 20 0 DEADHO CC(C)[C@H](C(=O)NC/C=C\CNCc1cccc(F)c1)[NH+](C)C ZINC001274340972 1091197263 /nfs/dbraw/zinc/19/72/63/1091197263.db2.gz ZNZSYKRGESXPFT-KEGWNNHHSA-N 1 3 321.440 2.174 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CCCC1 ZINC001274607707 1091322109 /nfs/dbraw/zinc/32/21/09/1091322109.db2.gz AOFBAHZLSVYGTE-LXXRFIIISA-N 1 3 307.482 2.313 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]C/C=C/c1ccccc1)N(C)C ZINC001274804193 1091419984 /nfs/dbraw/zinc/41/99/84/1091419984.db2.gz RPRXPIVOQWJGTF-BZYXRLQRSA-N 1 3 303.450 2.134 20 0 DEADHO CSCCC[NH+]1CCC2(CN(CCn3ccnc3)C2)CC1 ZINC001275113057 1091562357 /nfs/dbraw/zinc/56/23/57/1091562357.db2.gz ZLTNHGDZWHVWEK-UHFFFAOYSA-N 1 3 308.495 2.034 20 0 DEADHO CNc1nc(SC)ncc1CN1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001276132999 1091585522 /nfs/dbraw/zinc/58/55/22/1091585522.db2.gz OOXBPJUREUOXSR-BETUJISGSA-N 1 3 321.494 2.014 20 0 DEADHO CNc1nc(SC)ncc1CN1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001276132999 1091585529 /nfs/dbraw/zinc/58/55/29/1091585529.db2.gz OOXBPJUREUOXSR-BETUJISGSA-N 1 3 321.494 2.014 20 0 DEADHO COC(=O)CCCN1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC001275158601 1091588927 /nfs/dbraw/zinc/58/89/27/1091588927.db2.gz MSAIBLVYSIFFDA-UHFFFAOYSA-N 1 3 316.445 2.419 20 0 DEADHO CCCC[C@@H](CC)COC[C@H](O)CNC[C@H]1CCC[NH2+]C1 ZINC001245987619 1091688390 /nfs/dbraw/zinc/68/83/90/1091688390.db2.gz DBBNRTSEHXJXSF-IXDOHACOSA-N 1 3 300.487 2.170 20 0 DEADHO CN1C[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC001412675076 1091665436 /nfs/dbraw/zinc/66/54/36/1091665436.db2.gz IMSWTSBSMNGTTA-HOCLYGCPSA-N 1 3 307.482 2.097 20 0 DEADHO CN1C[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC001412675076 1091665438 /nfs/dbraw/zinc/66/54/38/1091665438.db2.gz IMSWTSBSMNGTTA-HOCLYGCPSA-N 1 3 307.482 2.097 20 0 DEADHO Cn1cc(CN2CCC3(CC[N@H+](Cc4ccc[nH]4)C3)CC2)cn1 ZINC001276222120 1091714183 /nfs/dbraw/zinc/71/41/83/1091714183.db2.gz NPWCPSDAHKRVGK-UHFFFAOYSA-N 1 3 313.449 2.236 20 0 DEADHO Cn1cc(CN2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)cn1 ZINC001276222120 1091714191 /nfs/dbraw/zinc/71/41/91/1091714191.db2.gz NPWCPSDAHKRVGK-UHFFFAOYSA-N 1 3 313.449 2.236 20 0 DEADHO C[N@H+]1CC[C@H]2CN(Cc3ccc(C(F)(F)F)nn3)C[C@H]2CC1 ZINC001275458542 1091764059 /nfs/dbraw/zinc/76/40/59/1091764059.db2.gz QEHFQXCGVOUERM-TXEJJXNPSA-N 1 3 314.355 2.269 20 0 DEADHO C[N@@H+]1CC[C@H]2CN(Cc3ccc(C(F)(F)F)nn3)C[C@H]2CC1 ZINC001275458542 1091764064 /nfs/dbraw/zinc/76/40/64/1091764064.db2.gz QEHFQXCGVOUERM-TXEJJXNPSA-N 1 3 314.355 2.269 20 0 DEADHO CN(C)CCN1CC[C@@]2(CC[N@H+](CC3(C)CCCCC3)C2)C1=O ZINC001273450506 1091773116 /nfs/dbraw/zinc/77/31/16/1091773116.db2.gz MYHQQSHEAGYDMI-LJQANCHMSA-N 1 3 321.509 2.443 20 0 DEADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](CC3(C)CCCCC3)C2)C1=O ZINC001273450506 1091773120 /nfs/dbraw/zinc/77/31/20/1091773120.db2.gz MYHQQSHEAGYDMI-LJQANCHMSA-N 1 3 321.509 2.443 20 0 DEADHO C[NH+](C)CCCCC(=O)N[C@@H]1CCCN(C/C=C/Cl)CC1 ZINC001273468190 1091862895 /nfs/dbraw/zinc/86/28/95/1091862895.db2.gz XLGVORBMFLKNIY-WCLQSUPFSA-N 1 3 315.889 2.442 20 0 DEADHO CC(C)CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001190653494 1091950528 /nfs/dbraw/zinc/95/05/28/1091950528.db2.gz CYVMCLAFWHRFBL-IAGOWNOFSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001190653494 1091950538 /nfs/dbraw/zinc/95/05/38/1091950538.db2.gz CYVMCLAFWHRFBL-IAGOWNOFSA-N 1 3 309.498 2.296 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CCCC2CCC2)C1)C1CC1 ZINC001190652796 1091951473 /nfs/dbraw/zinc/95/14/73/1091951473.db2.gz AVDZGBLDSJCEPM-ROUUACIJSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCCC2CCC2)C1)C1CC1 ZINC001190652796 1091951481 /nfs/dbraw/zinc/95/14/81/1091951481.db2.gz AVDZGBLDSJCEPM-ROUUACIJSA-N 1 3 321.509 2.440 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000948853769 1091966070 /nfs/dbraw/zinc/96/60/70/1091966070.db2.gz AJULPAGDZJDOIK-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000948853769 1091966081 /nfs/dbraw/zinc/96/60/81/1091966081.db2.gz AJULPAGDZJDOIK-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO CCN(CC[NH2+]CCC1CC1)C(=O)[C@H]1CCCCN1C(C)C ZINC001273646877 1091972686 /nfs/dbraw/zinc/97/26/86/1091972686.db2.gz ZZJGPYFFIFBTSQ-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)CC[N@@H+]1CCC[C@@]2(CCCN(Cc3ccncc3)C2)C1 ZINC001275888898 1092276045 /nfs/dbraw/zinc/27/60/45/1092276045.db2.gz KZPIFBWWLJCLFG-LJQANCHMSA-N 1 3 316.493 2.321 20 0 DEADHO CN(C)CC[N@H+]1CCC[C@@]2(CCCN(Cc3ccncc3)C2)C1 ZINC001275888898 1092276056 /nfs/dbraw/zinc/27/60/56/1092276056.db2.gz KZPIFBWWLJCLFG-LJQANCHMSA-N 1 3 316.493 2.321 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCCF)C1)N1CCCCCC1 ZINC001488777137 1092746773 /nfs/dbraw/zinc/74/67/73/1092746773.db2.gz KALSVYDOGNIACW-HRCADAONSA-N 1 3 313.461 2.095 20 0 DEADHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccccc1F ZINC001490356625 1093350609 /nfs/dbraw/zinc/35/06/09/1093350609.db2.gz JKKBMMKNLGBQLI-MRXNPFEDSA-N 1 3 321.440 2.106 20 0 DEADHO CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccccc1F ZINC001490356625 1093350616 /nfs/dbraw/zinc/35/06/16/1093350616.db2.gz JKKBMMKNLGBQLI-MRXNPFEDSA-N 1 3 321.440 2.106 20 0 DEADHO CC[C@@H](C(=O)NC1(C)CC[NH+](CC[C@H](C)F)CC1)N(C)C ZINC001421166096 1171544860 /nfs/dbraw/zinc/54/48/60/1171544860.db2.gz XIUAZGVHIWHEAA-KBPBESRZSA-N 1 3 301.450 2.045 20 0 DEADHO CCO[C@H](CC[NH+](C)C)CNCc1cnn(-c2ccccc2)c1 ZINC000150984370 1138202088 /nfs/dbraw/zinc/20/20/88/1138202088.db2.gz GOJVOYMRFHCZRK-GOSISDBHSA-N 1 3 316.449 2.319 20 0 DEADHO N[C@H]1NC(CN(Cc2ccccc2)C2CCC([NH3+])CC2)=CS1 ZINC001236227591 1138341087 /nfs/dbraw/zinc/34/10/87/1138341087.db2.gz HUNOGNZUFURLFV-PREGVCBESA-N 1 3 318.490 2.179 20 0 DEADHO Cc1ccc(F)cc1NC(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239216927 1138991732 /nfs/dbraw/zinc/99/17/32/1138991732.db2.gz PQYMCAOQUCFJAC-CQSZACIVSA-N 1 3 320.412 2.130 20 0 DEADHO c1ccc(CN2CCC=C(c3ncnc4c3CC[NH2+]CC4)C2)cc1 ZINC001240384682 1139353588 /nfs/dbraw/zinc/35/35/88/1139353588.db2.gz GDKIMMZXQWSVGL-UHFFFAOYSA-N 1 3 320.440 2.454 20 0 DEADHO C[C@@H](F)CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001318873662 1140446564 /nfs/dbraw/zinc/44/65/64/1140446564.db2.gz BESLXDYJOKCJSH-ZBFHGGJFSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)CN1C(=O)Cc1c[nH]cn1 ZINC001278405801 1140629698 /nfs/dbraw/zinc/62/96/98/1140629698.db2.gz ZBBSVBHILLWEIG-ZFWWWQNUSA-N 1 3 306.454 2.358 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@H]1CC[NH2+]CC1CCC1)N(C)C ZINC001319789115 1140715775 /nfs/dbraw/zinc/71/57/75/1140715775.db2.gz XLXJWOZFMSXHEK-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[C@H](CC)COC[C@@H](O)CNC[C@@H]1CCC[NH2+]C1 ZINC001245979959 1140840301 /nfs/dbraw/zinc/84/03/01/1140840301.db2.gz DBBNRTSEHXJXSF-BBWFWOEESA-N 1 3 300.487 2.170 20 0 DEADHO CCCC[C@H](CC)COC[C@H](O)CNC[C@H]1C[NH2+]CC[C@@H]1C ZINC001245981511 1140841045 /nfs/dbraw/zinc/84/10/45/1140841045.db2.gz HOBXHFUKJYZFEM-WNRNVDISSA-N 1 3 314.514 2.416 20 0 DEADHO O[C@H](CN[C@H](c1cccc(F)c1)C1CC[NH2+]CC1)C(F)(F)F ZINC001245999530 1140844534 /nfs/dbraw/zinc/84/45/34/1140844534.db2.gz KPBHEQCJPKXUSZ-KGLIPLIRSA-N 1 3 320.330 2.379 20 0 DEADHO O=C(c1ccccc1)N1CCC[C@H]([NH2+]C2CCNCC2)CC1 ZINC001246082143 1140858218 /nfs/dbraw/zinc/85/82/18/1140858218.db2.gz WKKHDWDQZBXHRL-INIZCTEOSA-N 1 3 301.434 2.023 20 0 DEADHO O=C(CCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2)OCc1ccccc1 ZINC001246216323 1140874375 /nfs/dbraw/zinc/87/43/75/1140874375.db2.gz YACFHFFEVCTLGN-SJPCQFCGSA-N 1 3 302.418 2.383 20 0 DEADHO C[C@H]1CC[C@@H](NCCC2CCN(C(=O)C(C)(C)C)CC2)C[NH2+]1 ZINC001246257447 1140879055 /nfs/dbraw/zinc/87/90/55/1140879055.db2.gz SZRWPNWIWRYWCQ-GOEBONIOSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H]1C[C@H]([NH2+]C2CCN(CC(=O)c3ccccc3)CC2)CCN1 ZINC001246359967 1140888158 /nfs/dbraw/zinc/88/81/58/1140888158.db2.gz QBAFBTHFJXKTQB-MAUKXSAKSA-N 1 3 315.461 2.064 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)CC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001320642823 1140888902 /nfs/dbraw/zinc/88/89/02/1140888902.db2.gz BESMDPSUEVTYLB-UONOGXRCSA-N 1 3 319.440 2.246 20 0 DEADHO C[C@H]1C[C@H](NCCc2cc(O)ccc2Br)CC[NH2+]1 ZINC001246502556 1140929090 /nfs/dbraw/zinc/92/90/90/1140929090.db2.gz FYOMSDOVVRDPHE-CMPLNLGQSA-N 1 3 313.239 2.427 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CCc2cc(O)ccc2Br)CCN1 ZINC001246502556 1140929094 /nfs/dbraw/zinc/92/90/94/1140929094.db2.gz FYOMSDOVVRDPHE-CMPLNLGQSA-N 1 3 313.239 2.427 20 0 DEADHO C[C@@]1(N)CC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)C1 ZINC001246532690 1140937724 /nfs/dbraw/zinc/93/77/24/1140937724.db2.gz XXBSYKQTHGTZQO-SUTQANCOSA-N 1 3 313.445 2.245 20 0 DEADHO C[C@@]1(N)CC[N@H+](C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)C1 ZINC001246532690 1140937734 /nfs/dbraw/zinc/93/77/34/1140937734.db2.gz XXBSYKQTHGTZQO-SUTQANCOSA-N 1 3 313.445 2.245 20 0 DEADHO c1cncc(OCC2CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC001246594649 1140997654 /nfs/dbraw/zinc/99/76/54/1140997654.db2.gz QBNDQHOGRHQPBZ-SJPCQFCGSA-N 1 3 301.434 2.455 20 0 DEADHO Cc1cc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCCN2C)c(C)s1 ZINC001320997182 1141023948 /nfs/dbraw/zinc/02/39/48/1141023948.db2.gz HYUKLSFXIKBIMA-YIEVGGLXSA-N 1 3 321.490 2.221 20 0 DEADHO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3[C@H]2CCN[C@H](C)C2)o1 ZINC001246700246 1141038892 /nfs/dbraw/zinc/03/88/92/1141038892.db2.gz CFQWKLSSLPOBIR-HUHSQHJXSA-N 1 3 303.450 2.377 20 0 DEADHO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3[C@H]2CCN[C@H](C)C2)o1 ZINC001246700246 1141038900 /nfs/dbraw/zinc/03/89/00/1141038900.db2.gz CFQWKLSSLPOBIR-HUHSQHJXSA-N 1 3 303.450 2.377 20 0 DEADHO CN(C)Cc1ccc(-c2noc(C[C@@]3(C)CC[NH2+]C3)n2)cc1 ZINC001247800368 1141522495 /nfs/dbraw/zinc/52/24/95/1141522495.db2.gz WQPXZMPWLYHORD-QGZVFWFLSA-N 1 3 300.406 2.340 20 0 DEADHO Fc1ccc(-c2noc([C@H]3CNCC34C[NH2+]C4)n2)c2ccccc12 ZINC001247831725 1141543260 /nfs/dbraw/zinc/54/32/60/1141543260.db2.gz VDZVIHLVOATDBM-CQSZACIVSA-N 1 3 324.359 2.305 20 0 DEADHO CN(C)Cc1ccc(-c2noc(C3(C)CC[NH2+]CC3)n2)cc1 ZINC001247965034 1141652181 /nfs/dbraw/zinc/65/21/81/1141652181.db2.gz KEUCGAPSYUFZMS-UHFFFAOYSA-N 1 3 300.406 2.439 20 0 DEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2cccc(F)c2)C1 ZINC001250829582 1142329701 /nfs/dbraw/zinc/32/97/01/1142329701.db2.gz QHACFZBAYYBMDW-BZUAXINKSA-N 1 3 310.413 2.028 20 0 DEADHO CC/C=C\CC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001278608064 1142337933 /nfs/dbraw/zinc/33/79/33/1142337933.db2.gz IYSUZASVUBEKPD-MSNYOWOLSA-N 1 3 318.465 2.491 20 0 DEADHO CC(C)N1CC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2)[C@H](C)C1 ZINC001251259309 1142413206 /nfs/dbraw/zinc/41/32/06/1142413206.db2.gz DZFDGFBDNYIKNF-JFIYKMOQSA-N 1 3 306.450 2.135 20 0 DEADHO CCN(CC)C[C@@H](O)C[N@@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC001253175074 1142849417 /nfs/dbraw/zinc/84/94/17/1142849417.db2.gz DPPFYHGZWIQIHE-HZPDHXFCSA-N 1 3 306.450 2.187 20 0 DEADHO CCN(CC)C[C@@H](O)C[N@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC001253175074 1142849419 /nfs/dbraw/zinc/84/94/19/1142849419.db2.gz DPPFYHGZWIQIHE-HZPDHXFCSA-N 1 3 306.450 2.187 20 0 DEADHO OC1(C[NH2+]CC2(F)CCC2)CCN(Cc2ccccc2)CC1 ZINC001254052487 1143032038 /nfs/dbraw/zinc/03/20/38/1143032038.db2.gz KSRTUFKKDUHEBD-UHFFFAOYSA-N 1 3 306.425 2.495 20 0 DEADHO CCS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCN(C)CC2)cc1 ZINC001254509069 1143155717 /nfs/dbraw/zinc/15/57/17/1143155717.db2.gz VITITYCBWSCWDW-HNNXBMFYSA-N 1 3 310.463 2.054 20 0 DEADHO CN1CCC[C@H]([N@@H+]2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)CC1 ZINC001254517133 1143176907 /nfs/dbraw/zinc/17/69/07/1143176907.db2.gz SJUOPBDKZIJHTD-YNEHKIRRSA-N 1 3 312.351 2.198 20 0 DEADHO CN1CCC[C@H]([N@H+]2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)CC1 ZINC001254517133 1143176924 /nfs/dbraw/zinc/17/69/24/1143176924.db2.gz SJUOPBDKZIJHTD-YNEHKIRRSA-N 1 3 312.351 2.198 20 0 DEADHO C[N@@H+]1CCC[C@@H](N2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254521869 1143192056 /nfs/dbraw/zinc/19/20/56/1143192056.db2.gz ZDFVCEROQXJIOR-OAHLLOKOSA-N 1 3 323.481 2.414 20 0 DEADHO C[N@H+]1CCC[C@@H](N2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254521869 1143192078 /nfs/dbraw/zinc/19/20/78/1143192078.db2.gz ZDFVCEROQXJIOR-OAHLLOKOSA-N 1 3 323.481 2.414 20 0 DEADHO Cn1cc(CN2CCCC23CC[NH+](C2CCOCC2)CC3)cn1 ZINC001255040438 1143390260 /nfs/dbraw/zinc/39/02/60/1143390260.db2.gz SJIOHBSTHGGCPF-UHFFFAOYSA-N 1 3 318.465 2.030 20 0 DEADHO COC(C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)OC ZINC001255127480 1143434278 /nfs/dbraw/zinc/43/42/78/1143434278.db2.gz XEUIWQMZFNSBCF-BJWYYQGGSA-N 1 3 304.434 2.391 20 0 DEADHO CCCN1C[C@@H]2C[N@H+](C3CCC(C(=O)OCC)CC3)C[C@@H]2C1 ZINC001255264635 1143530856 /nfs/dbraw/zinc/53/08/56/1143530856.db2.gz WQBYQWPBZMPLEM-HPZPOOBXSA-N 1 3 308.466 2.382 20 0 DEADHO CCCN1C[C@@H]2C[N@@H+](C3CCC(C(=O)OCC)CC3)C[C@@H]2C1 ZINC001255264635 1143530868 /nfs/dbraw/zinc/53/08/68/1143530868.db2.gz WQBYQWPBZMPLEM-HPZPOOBXSA-N 1 3 308.466 2.382 20 0 DEADHO CN(C)C(=O)C1C[NH+]([C@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255406493 1143596765 /nfs/dbraw/zinc/59/67/65/1143596765.db2.gz SPHFRTFZAWUEES-SFHVURJKSA-N 1 3 315.461 2.061 20 0 DEADHO C[N@@H+]1CCC[C@@H](N2CCCN(Cc3ccc(F)cc3)CC2)C1 ZINC001255490474 1143701326 /nfs/dbraw/zinc/70/13/26/1143701326.db2.gz WJBJCDIHDKXCAT-GOSISDBHSA-N 1 3 305.441 2.428 20 0 DEADHO C[N@H+]1CCC[C@@H](N2CCCN(Cc3ccc(F)cc3)CC2)C1 ZINC001255490474 1143701351 /nfs/dbraw/zinc/70/13/51/1143701351.db2.gz WJBJCDIHDKXCAT-GOSISDBHSA-N 1 3 305.441 2.428 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)NCCC[NH2+]C1CC1 ZINC001341907527 1143741088 /nfs/dbraw/zinc/74/10/88/1143741088.db2.gz KBHPADQJAUMRAT-UHFFFAOYSA-N 1 3 315.417 2.366 20 0 DEADHO Cc1cc(N2CCN(C3CCC4(CC3)OCCO4)CC2)cc[nH+]1 ZINC001255629051 1143791486 /nfs/dbraw/zinc/79/14/86/1143791486.db2.gz BWUFDDWPRGEVIO-UHFFFAOYSA-N 1 3 317.433 2.198 20 0 DEADHO Cc1nccnc1O[C@H]1CCN(C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001255684281 1143802157 /nfs/dbraw/zinc/80/21/57/1143802157.db2.gz XAXUBYMTLRSHPC-WFVVYAPDSA-N 1 3 316.449 2.253 20 0 DEADHO Cc1nccnc1O[C@H]1CCN(C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001255684281 1143802158 /nfs/dbraw/zinc/80/21/58/1143802158.db2.gz XAXUBYMTLRSHPC-WFVVYAPDSA-N 1 3 316.449 2.253 20 0 DEADHO CC[NH+](CC)CC[C@@H](C)N[C@@H]1CCN(C(=O)c2cccnc2)C1 ZINC001255953816 1143816625 /nfs/dbraw/zinc/81/66/25/1143816625.db2.gz PIHHVBSNSHWVIR-NVXWUHKLSA-N 1 3 318.465 2.006 20 0 DEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(C(=O)C(F)(F)F)CC2)C1 ZINC001255977563 1143818717 /nfs/dbraw/zinc/81/87/17/1143818717.db2.gz OYYKIGXYVCPTCA-CHWSQXEVSA-N 1 3 321.387 2.002 20 0 DEADHO COc1cccc(C[C@H](C)[NH2+]CCN2CCN(C(C)C)CC2)c1 ZINC001256150171 1143831488 /nfs/dbraw/zinc/83/14/88/1143831488.db2.gz XNRHSQVMYPASHO-KRWDZBQOSA-N 1 3 319.493 2.242 20 0 DEADHO CCc1noc(C2CC[NH+](C3C[C@H]4CC[C@@H](C3)N4C)CC2)n1 ZINC001256628311 1143858327 /nfs/dbraw/zinc/85/83/27/1143858327.db2.gz AHJULTJAEUWQOP-YIONKMFJSA-N 1 3 304.438 2.437 20 0 DEADHO COCCC1([NH3+])CCN([C@@H]2CCc3c(cccc3OC)C2)CC1 ZINC001256641710 1143859613 /nfs/dbraw/zinc/85/96/13/1143859613.db2.gz JCKKIZRKPOLIFT-MRXNPFEDSA-N 1 3 318.461 2.382 20 0 DEADHO COc1ccccc1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256675649 1143861148 /nfs/dbraw/zinc/86/11/48/1143861148.db2.gz GUZSQWCEZVNPNC-UHFFFAOYSA-N 1 3 304.434 2.428 20 0 DEADHO Cc1nc(C)c(C[NH2+]C2CCC(N3CCOCC3)CC2)s1 ZINC001256683294 1143862097 /nfs/dbraw/zinc/86/20/97/1143862097.db2.gz VTAVWQDZGCHOMX-UHFFFAOYSA-N 1 3 309.479 2.493 20 0 DEADHO [NH3+]C[C@H]1CN(C2CCC(N3CCOCC3)CC2)c2ccccc21 ZINC001256683664 1143862156 /nfs/dbraw/zinc/86/21/56/1143862156.db2.gz GALSMLFAJLPXQL-GTPINHCMSA-N 1 3 315.461 2.192 20 0 DEADHO C[N@@H+]1CCN(C2CCC(N3CCOCC3)CC2)C2(CCCC2)C1 ZINC001256700429 1143863706 /nfs/dbraw/zinc/86/37/06/1143863706.db2.gz WZGRBFKUFCKNOB-UHFFFAOYSA-N 1 3 321.509 2.190 20 0 DEADHO C[N@H+]1CCN(C2CCC(N3CCOCC3)CC2)C2(CCCC2)C1 ZINC001256700429 1143863707 /nfs/dbraw/zinc/86/37/07/1143863707.db2.gz WZGRBFKUFCKNOB-UHFFFAOYSA-N 1 3 321.509 2.190 20 0 DEADHO C[NH+](C)CCN1CCN([C@@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC001256806657 1143867631 /nfs/dbraw/zinc/86/76/31/1143867631.db2.gz HZNRQBVTLKKZSM-MOPGFXCFSA-N 1 3 317.477 2.086 20 0 DEADHO COC(=O)[C@H](C(C)C)N(C)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256862920 1143871744 /nfs/dbraw/zinc/87/17/44/1143871744.db2.gz SFWZZAGIPJZLCL-INIZCTEOSA-N 1 3 305.422 2.180 20 0 DEADHO COC(=O)CC[C@H](C)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001258356699 1143995236 /nfs/dbraw/zinc/99/52/36/1143995236.db2.gz ASHHYWKNGBRXSA-HNNXBMFYSA-N 1 3 319.449 2.225 20 0 DEADHO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])[C@@H](N[C@H]2CCC(C)(C)C2)C1 ZINC001258599497 1144023703 /nfs/dbraw/zinc/02/37/03/1144023703.db2.gz CBKVVRJUMAHIBJ-MJBXVCDLSA-N 1 3 311.470 2.491 20 0 DEADHO OCC1(C[C@H](O)CNCCC[NH+]2CCCCCC2)CCCC1 ZINC001353245329 1151819713 /nfs/dbraw/zinc/81/97/13/1151819713.db2.gz GGSSQQWCABBLDM-KRWDZBQOSA-N 1 3 312.498 2.146 20 0 DEADHO CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C1 ZINC001264091006 1144461497 /nfs/dbraw/zinc/46/14/97/1144461497.db2.gz LYDXILMDDGUHEY-SJORKVTESA-N 1 3 321.509 2.441 20 0 DEADHO CCCCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C1 ZINC001264091006 1144461513 /nfs/dbraw/zinc/46/15/13/1144461513.db2.gz LYDXILMDDGUHEY-SJORKVTESA-N 1 3 321.509 2.441 20 0 DEADHO Cc1ccc(F)cc1C[N@@H+](C)CCCNC(=O)[C@@H]1CCCN1C ZINC001264970359 1144614418 /nfs/dbraw/zinc/61/44/18/1144614418.db2.gz JEJNSRZLTKUOMS-KRWDZBQOSA-N 1 3 321.440 2.166 20 0 DEADHO Cc1ccc(F)cc1C[N@H+](C)CCCNC(=O)[C@@H]1CCCN1C ZINC001264970359 1144614424 /nfs/dbraw/zinc/61/44/24/1144614424.db2.gz JEJNSRZLTKUOMS-KRWDZBQOSA-N 1 3 321.440 2.166 20 0 DEADHO CC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001265459606 1144705302 /nfs/dbraw/zinc/70/53/02/1144705302.db2.gz GGXBBSXXTICUMV-LZCSOBMZSA-N 1 3 307.482 2.408 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]CCC2CCCC2)C1)N(C)C ZINC001265989725 1144778867 /nfs/dbraw/zinc/77/88/67/1144778867.db2.gz HJKJXNPNBBDJGL-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2C1 ZINC001279396067 1144821813 /nfs/dbraw/zinc/82/18/13/1144821813.db2.gz RPXGUZUJXBAPAF-BBWFWOEESA-N 1 3 309.498 2.297 20 0 DEADHO CCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2C1 ZINC001279396067 1144821814 /nfs/dbraw/zinc/82/18/14/1144821814.db2.gz RPXGUZUJXBAPAF-BBWFWOEESA-N 1 3 309.498 2.297 20 0 DEADHO CC/C=C\CC[NH2+]C1(CNC(=O)Cc2nc[nH]c2C)CCC1 ZINC001280534369 1144844259 /nfs/dbraw/zinc/84/42/59/1144844259.db2.gz VUYHRDHHJAVARK-PLNGDYQASA-N 1 3 304.438 2.245 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1(C[NH2+]CCF)CCCCC1 ZINC001282626972 1145100524 /nfs/dbraw/zinc/10/05/24/1145100524.db2.gz BIKZHYZPVXWWNW-HUUCEWRRSA-N 1 3 313.461 2.237 20 0 DEADHO CC1(C)CC[C@@H](CN2CCC(O)(C[NH+]3CCCCC3)CC2)O1 ZINC001364544254 1145330567 /nfs/dbraw/zinc/33/05/67/1145330567.db2.gz DFOAEPXRBVSFST-INIZCTEOSA-N 1 3 310.482 2.257 20 0 DEADHO C[C@@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@H]1COC(C)(C)O1 ZINC001364698756 1145480365 /nfs/dbraw/zinc/48/03/65/1145480365.db2.gz QBGHQTRFKSSHHJ-NRSFXHEJSA-N 1 3 318.461 2.461 20 0 DEADHO C[C@@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@H]1COC(C)(C)O1 ZINC001364698756 1145480374 /nfs/dbraw/zinc/48/03/74/1145480374.db2.gz QBGHQTRFKSSHHJ-NRSFXHEJSA-N 1 3 318.461 2.461 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]CCC1CC1)C1CC1 ZINC001283557513 1145519490 /nfs/dbraw/zinc/51/94/90/1145519490.db2.gz RUUKLDSYZCXLFP-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO COc1cc(C)c(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)cc1OC ZINC001364931432 1145689126 /nfs/dbraw/zinc/68/91/26/1145689126.db2.gz JUIHKPPTBFIHHU-CWRNSKLLSA-N 1 3 304.434 2.442 20 0 DEADHO CC(C)COC(=O)N1CCC([NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)CC1 ZINC001364932764 1145689786 /nfs/dbraw/zinc/68/97/86/1145689786.db2.gz NOQOHIROTQEJNF-HYVNUMGLSA-N 1 3 323.481 2.173 20 0 DEADHO COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]C[C@@H]3CCCN(CC4CC4)C3)[C@@H]2C1 ZINC001364982781 1145730761 /nfs/dbraw/zinc/73/07/61/1145730761.db2.gz FRYOGAOJBYXFQG-TZNCUMHOSA-N 1 3 320.477 2.286 20 0 DEADHO CC[N@H+](C)[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC001365304007 1145842660 /nfs/dbraw/zinc/84/26/60/1145842660.db2.gz JKEKTFUAIVIVET-IRXDYDNUSA-N 1 3 318.465 2.025 20 0 DEADHO CC[N@@H+](C)[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC001365304007 1145842662 /nfs/dbraw/zinc/84/26/62/1145842662.db2.gz JKEKTFUAIVIVET-IRXDYDNUSA-N 1 3 318.465 2.025 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]2C)cc1 ZINC001365894011 1146045621 /nfs/dbraw/zinc/04/56/21/1146045621.db2.gz DAFDAUUXWOFWSB-AEFFLSMTSA-N 1 3 317.477 2.416 20 0 DEADHO C[C@H](NCCF)[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001365923507 1146911943 /nfs/dbraw/zinc/91/19/43/1146911943.db2.gz GHCUKXZGONIXAY-HOCLYGCPSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@@H](F)C[N@H+](C)C[C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001366071770 1147040897 /nfs/dbraw/zinc/04/08/97/1147040897.db2.gz BYOYIJHMZWBAQQ-HZPDHXFCSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@@H](F)C[N@@H+](C)C[C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001366071770 1147040903 /nfs/dbraw/zinc/04/09/03/1147040903.db2.gz BYOYIJHMZWBAQQ-HZPDHXFCSA-N 1 3 313.461 2.001 20 0 DEADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)C1)CC(C)(C)C ZINC001366161115 1147084786 /nfs/dbraw/zinc/08/47/86/1147084786.db2.gz XHIXHUMKCDTMTP-TXEJJXNPSA-N 1 3 323.403 2.154 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[C@@H]2CCC[N@@H+]2CCCF)C1 ZINC001492165535 1147108834 /nfs/dbraw/zinc/10/88/34/1147108834.db2.gz WVQSDYKBUDIHCS-HZPDHXFCSA-N 1 3 313.461 2.049 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[C@@H]2CCC[N@H+]2CCCF)C1 ZINC001492165535 1147108841 /nfs/dbraw/zinc/10/88/41/1147108841.db2.gz WVQSDYKBUDIHCS-HZPDHXFCSA-N 1 3 313.461 2.049 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001366226687 1147131887 /nfs/dbraw/zinc/13/18/87/1147131887.db2.gz NHNBOTHTNQERLU-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001366226687 1147131891 /nfs/dbraw/zinc/13/18/91/1147131891.db2.gz NHNBOTHTNQERLU-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001366288254 1147193726 /nfs/dbraw/zinc/19/37/26/1147193726.db2.gz PNGDHGMEUMYMIO-HNNXBMFYSA-N 1 3 303.450 2.074 20 0 DEADHO CC(C)=CCN(C)CCNC(=O)c1ccccc1CC[NH+](C)C ZINC001492359792 1147227783 /nfs/dbraw/zinc/22/77/83/1147227783.db2.gz WAUJOCVVQRKKDG-UHFFFAOYSA-N 1 3 317.477 2.419 20 0 DEADHO CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001366409757 1147256197 /nfs/dbraw/zinc/25/61/97/1147256197.db2.gz IZIVJEAMKKDIEY-IAGOWNOFSA-N 1 3 311.514 2.447 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[N@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001366567296 1147358294 /nfs/dbraw/zinc/35/82/94/1147358294.db2.gz SAXHUHCBXLKSTE-INIZCTEOSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[N@@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001366567296 1147358299 /nfs/dbraw/zinc/35/82/99/1147358299.db2.gz SAXHUHCBXLKSTE-INIZCTEOSA-N 1 3 321.509 2.347 20 0 DEADHO CCCN(C)CC(=O)NCC[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC001366583476 1147372764 /nfs/dbraw/zinc/37/27/64/1147372764.db2.gz KGTHFEFHZZVBFC-GOSISDBHSA-N 1 3 317.477 2.454 20 0 DEADHO CCCN(C)CC(=O)NCC[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC001366583476 1147372771 /nfs/dbraw/zinc/37/27/71/1147372771.db2.gz KGTHFEFHZZVBFC-GOSISDBHSA-N 1 3 317.477 2.454 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCC1)N(CC)CC ZINC001366663654 1147455893 /nfs/dbraw/zinc/45/58/93/1147455893.db2.gz BJPAFWBSPGEDPZ-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1CCC1)N(CC)CC ZINC001366663654 1147455913 /nfs/dbraw/zinc/45/59/13/1147455913.db2.gz BJPAFWBSPGEDPZ-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)C1(C(=O)N2CCCCC[C@@H]([NH2+]CCCF)C2)CCC1 ZINC001316774955 1147578346 /nfs/dbraw/zinc/57/83/46/1147578346.db2.gz XLZSOIJDWRPPCH-OAHLLOKOSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccns2)CC1 ZINC001367198924 1147663076 /nfs/dbraw/zinc/66/30/76/1147663076.db2.gz CLFNUPNBNPUXNY-HDJSIYSDSA-N 1 3 324.494 2.000 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCN2C)cc1F ZINC001367366288 1147684437 /nfs/dbraw/zinc/68/44/37/1147684437.db2.gz ZVVOCUTVSCOBOA-PBHICJAKSA-N 1 3 321.440 2.165 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]([NH2+]CC1CC(C)C1)C(C)C ZINC001367483043 1147700898 /nfs/dbraw/zinc/70/08/98/1147700898.db2.gz OKVWDKZFBFLIRH-PXCJXSSVSA-N 1 3 306.454 2.037 20 0 DEADHO CCc1ccc(C[N@H+](C)CCN(C)C(=O)CN(C)C(C)C)cc1 ZINC001367554958 1147715574 /nfs/dbraw/zinc/71/55/74/1147715574.db2.gz ARRVOZALEVLUQA-UHFFFAOYSA-N 1 3 319.493 2.479 20 0 DEADHO CCc1ccc(C[N@@H+](C)CCN(C)C(=O)CN(C)C(C)C)cc1 ZINC001367554958 1147715575 /nfs/dbraw/zinc/71/55/75/1147715575.db2.gz ARRVOZALEVLUQA-UHFFFAOYSA-N 1 3 319.493 2.479 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccsc1 ZINC001367561275 1147716510 /nfs/dbraw/zinc/71/65/10/1147716510.db2.gz LAJPNYNATYSSIS-JKSUJKDBSA-N 1 3 323.506 2.463 20 0 DEADHO CCCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001317524016 1147720005 /nfs/dbraw/zinc/72/00/05/1147720005.db2.gz WSPZLZCTCOJHHJ-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001317524016 1147720006 /nfs/dbraw/zinc/72/00/06/1147720006.db2.gz WSPZLZCTCOJHHJ-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN(C)Cc1cccc(F)c1 ZINC001367842813 1147758457 /nfs/dbraw/zinc/75/84/57/1147758457.db2.gz CCNXJFYCHLHMTH-CQSZACIVSA-N 1 3 309.429 2.104 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN(C)Cc1cccc(F)c1 ZINC001367842813 1147758459 /nfs/dbraw/zinc/75/84/59/1147758459.db2.gz CCNXJFYCHLHMTH-CQSZACIVSA-N 1 3 309.429 2.104 20 0 DEADHO CCc1cccc(CN(C)C[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001367860764 1147762772 /nfs/dbraw/zinc/76/27/72/1147762772.db2.gz XNUXGNPHZFHMCM-QAPCUYQASA-N 1 3 317.477 2.137 20 0 DEADHO CCc1cccc(CN(C)C[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001367860764 1147762774 /nfs/dbraw/zinc/76/27/74/1147762774.db2.gz XNUXGNPHZFHMCM-QAPCUYQASA-N 1 3 317.477 2.137 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[C@H](C[NH2+]CCCF)CC1 ZINC001325680412 1147982906 /nfs/dbraw/zinc/98/29/06/1147982906.db2.gz TXLGDONGLXZWDJ-SHTZXODSSA-N 1 3 324.444 2.132 20 0 DEADHO C[C@H](F)CC[NH2+]CC[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001326286889 1148069341 /nfs/dbraw/zinc/06/93/41/1148069341.db2.gz KJGBMWICMSXZOM-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000426455711 230797844 /nfs/dbraw/zinc/79/78/44/230797844.db2.gz BSWSXHIKNYOHIS-RCCFBDPRSA-N 1 3 315.461 2.280 20 0 DEADHO CN(C)[C@H](CNC(=O)C[N@H+]1CC[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000426455711 230797847 /nfs/dbraw/zinc/79/78/47/230797847.db2.gz BSWSXHIKNYOHIS-RCCFBDPRSA-N 1 3 315.461 2.280 20 0 DEADHO CC[NH+](CC)CCCNC(=O)NCc1cccc(CN(C)C)c1 ZINC000079114958 185159063 /nfs/dbraw/zinc/15/90/63/185159063.db2.gz UGGNZXOYGCABCL-UHFFFAOYSA-N 1 3 320.481 2.279 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000417688169 529446299 /nfs/dbraw/zinc/44/62/99/529446299.db2.gz IOZUKSKZLOXIBV-ZBFHGGJFSA-N 1 3 318.465 2.249 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)N(C)CC2CCN(C)CC2)CC1 ZINC000175946828 282197679 /nfs/dbraw/zinc/19/76/79/282197679.db2.gz FQYALXGQLZXSJE-UHFFFAOYSA-N 1 3 324.513 2.092 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000417547959 529609742 /nfs/dbraw/zinc/60/97/42/529609742.db2.gz HNFJGCXWIXHEQM-DYVFJYSZSA-N 1 3 318.465 2.031 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000417547959 529609744 /nfs/dbraw/zinc/60/97/44/529609744.db2.gz HNFJGCXWIXHEQM-DYVFJYSZSA-N 1 3 318.465 2.031 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000417749215 529615387 /nfs/dbraw/zinc/61/53/87/529615387.db2.gz JAYKAFGKMSGLHS-UKPHBRMFSA-N 1 3 318.465 2.031 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000417749215 529615388 /nfs/dbraw/zinc/61/53/88/529615388.db2.gz JAYKAFGKMSGLHS-UKPHBRMFSA-N 1 3 318.465 2.031 20 0 DEADHO CN(C)[C@H]1CCCN(C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000418447380 282252921 /nfs/dbraw/zinc/25/29/21/282252921.db2.gz PJYFNSOQRVJQIC-INIZCTEOSA-N 1 3 310.486 2.034 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)NCC[NH2+]C)N(CC)CC)cc1 ZINC000418214460 529708405 /nfs/dbraw/zinc/70/84/05/529708405.db2.gz LRETZAYJNVLKAQ-QGZVFWFLSA-N 1 3 320.481 2.151 20 0 DEADHO CN1CCN(CC[NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1(C)C ZINC000441378764 529772290 /nfs/dbraw/zinc/77/22/90/529772290.db2.gz DVIJWPKVPVIHMG-UHFFFAOYSA-N 1 3 318.440 2.423 20 0 DEADHO CN1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccc3c(c1)CCC(=O)N3C)C2 ZINC000294910747 529831231 /nfs/dbraw/zinc/83/12/31/529831231.db2.gz DZJUSVYZTYAFQY-ALOPSCKCSA-N 1 3 313.445 2.310 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001480516078 1151836968 /nfs/dbraw/zinc/83/69/68/1151836968.db2.gz LDYYVQIAOCEZKB-CQSZACIVSA-N 1 3 309.498 2.391 20 0 DEADHO CN(CCN1CCCC1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418453867 529908155 /nfs/dbraw/zinc/90/81/55/529908155.db2.gz ZSAKBFVNJHRLRN-UHFFFAOYSA-N 1 3 310.486 2.036 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H](O)Cc3ccc(F)cc3)CC[C@H]21 ZINC000292691483 530059015 /nfs/dbraw/zinc/05/90/15/530059015.db2.gz CODFMEBDWWTFSO-BPQIPLTHSA-N 1 3 306.425 2.145 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C[C@@H](O)Cc3ccc(F)cc3)CC[C@H]21 ZINC000292691483 530059016 /nfs/dbraw/zinc/05/90/16/530059016.db2.gz CODFMEBDWWTFSO-BPQIPLTHSA-N 1 3 306.425 2.145 20 0 DEADHO CN1CCC[C@@H]2C[N@H+](C[C@@H](O)Cc3ccc(F)cc3)CC[C@H]21 ZINC000292691483 530059017 /nfs/dbraw/zinc/05/90/17/530059017.db2.gz CODFMEBDWWTFSO-BPQIPLTHSA-N 1 3 306.425 2.145 20 0 DEADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H](O)Cc3ccc(F)cc3)CC[C@H]21 ZINC000292691483 530059018 /nfs/dbraw/zinc/05/90/18/530059018.db2.gz CODFMEBDWWTFSO-BPQIPLTHSA-N 1 3 306.425 2.145 20 0 DEADHO C[C@H]1CCCN(CCNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000193841362 282359169 /nfs/dbraw/zinc/35/91/69/282359169.db2.gz WKPOVAYONXRYMD-HNNXBMFYSA-N 1 3 324.513 2.280 20 0 DEADHO CCCn1nc(C)c(CNCCC[N@@H+]2CCCN(C)CC2)c1C ZINC000133962441 539508637 /nfs/dbraw/zinc/50/86/37/539508637.db2.gz NWTJQOVYQNIHQO-UHFFFAOYSA-N 1 3 321.513 2.027 20 0 DEADHO CCCn1nc(C)c(CNCCC[N@H+]2CCCN(C)CC2)c1C ZINC000133962441 539508642 /nfs/dbraw/zinc/50/86/42/539508642.db2.gz NWTJQOVYQNIHQO-UHFFFAOYSA-N 1 3 321.513 2.027 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000162266012 539596208 /nfs/dbraw/zinc/59/62/08/539596208.db2.gz VWUOLVXYNCWAGX-OLZOCXBDSA-N 1 3 315.417 2.494 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000193841545 539715858 /nfs/dbraw/zinc/71/58/58/539715858.db2.gz DOTWAUMAALUXBZ-HNNXBMFYSA-N 1 3 324.513 2.423 20 0 DEADHO CC(C)C[C@@H](N)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000236696919 539738729 /nfs/dbraw/zinc/73/87/29/539738729.db2.gz WXZGDZUNJXZZBS-IAGOWNOFSA-N 1 3 309.498 2.330 20 0 DEADHO CN(C(=O)CC1([NH3+])CCC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000237268876 539744855 /nfs/dbraw/zinc/74/48/55/539744855.db2.gz BMMWGSYABGREJS-QGZVFWFLSA-N 1 3 315.461 2.381 20 0 DEADHO C[C@@H]1CCN(C(=O)CC2([NH3+])CCC2)CCN1Cc1ccccc1 ZINC000237369328 539745438 /nfs/dbraw/zinc/74/54/38/539745438.db2.gz YOZZQILEOUBTRS-MRXNPFEDSA-N 1 3 315.461 2.381 20 0 DEADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCN(C)C)CC1 ZINC000133698728 186008062 /nfs/dbraw/zinc/00/80/62/186008062.db2.gz QOGLGMDSFRMLOH-HNNXBMFYSA-N 1 3 318.465 2.073 20 0 DEADHO CCOC[C@@H]1CCN(C/C=C/C[N@@H+]2CC[C@@H](COCC)C2)C1 ZINC000246296770 539763207 /nfs/dbraw/zinc/76/32/07/539763207.db2.gz YHAJBTKRRMYPQU-PJHKVULZSA-N 1 3 310.482 2.259 20 0 DEADHO CCOC[C@@H]1CCN(C/C=C/C[N@H+]2CC[C@@H](COCC)C2)C1 ZINC000246296770 539763215 /nfs/dbraw/zinc/76/32/15/539763215.db2.gz YHAJBTKRRMYPQU-PJHKVULZSA-N 1 3 310.482 2.259 20 0 DEADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(C(=O)C3CCCC3)C2)[C@H](C)C1 ZINC000246902430 539767433 /nfs/dbraw/zinc/76/74/33/539767433.db2.gz FGHNOQZBCPXRFX-PVAVHDDUSA-N 1 3 307.482 2.097 20 0 DEADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(C(=O)C3CCCC3)C2)[C@H](C)C1 ZINC000246902430 539767438 /nfs/dbraw/zinc/76/74/38/539767438.db2.gz FGHNOQZBCPXRFX-PVAVHDDUSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)(C)[C@H](N)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000164363029 186157703 /nfs/dbraw/zinc/15/77/03/186157703.db2.gz WMIWADQXVYPZLO-UKRRQHHQSA-N 1 3 323.506 2.450 20 0 DEADHO CC(C)(C)[C@H](N)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000164363029 186157705 /nfs/dbraw/zinc/15/77/05/186157705.db2.gz WMIWADQXVYPZLO-UKRRQHHQSA-N 1 3 323.506 2.450 20 0 DEADHO [NH2+]=C(NCC1CCN(c2ccncc2)CC1)NC1CCCC1 ZINC000179712684 186208991 /nfs/dbraw/zinc/20/89/91/186208991.db2.gz RFDFJYTXDNZXNL-UHFFFAOYSA-N 1 3 301.438 2.355 20 0 DEADHO C[C@H](C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)N1CCCCCC1 ZINC000616995286 362985791 /nfs/dbraw/zinc/98/57/91/362985791.db2.gz ONJXEBBADAFKIU-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)N1CCCCCC1 ZINC000616995286 362985797 /nfs/dbraw/zinc/98/57/97/362985797.db2.gz ONJXEBBADAFKIU-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[C@@H](c1ccccc1)N(C)C ZINC000418190477 299175468 /nfs/dbraw/zinc/17/54/68/299175468.db2.gz WHKPKHQSRPUHTJ-WTTBNOFXSA-N 1 3 318.465 2.118 20 0 DEADHO C[NH+](C)CCCC(=O)N1CCC[C@H]([C@H]2CCCN2CCF)C1 ZINC001120422295 781928903 /nfs/dbraw/zinc/92/89/03/781928903.db2.gz LFVDHIJNVXYWSQ-JKSUJKDBSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@@H]1CN(CC2CC[NH+](CCc3cccnc3)CC2)C[C@@H](C)O1 ZINC000172076398 198035805 /nfs/dbraw/zinc/03/58/05/198035805.db2.gz AVPVDMFWGZMLLS-IAGOWNOFSA-N 1 3 317.477 2.445 20 0 DEADHO CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000172022962 198028030 /nfs/dbraw/zinc/02/80/30/198028030.db2.gz NJBWQENTBHETLQ-UHFFFAOYSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H](CC(=O)NC[C@H](c1ccccc1)N(C)C)C1CC[NH2+]CC1 ZINC000237455494 295829591 /nfs/dbraw/zinc/82/95/91/295829591.db2.gz JPQAPFGUXPDKGP-MAUKXSAKSA-N 1 3 317.477 2.431 20 0 DEADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@H]1CCC[NH2+]1 ZINC000072546999 191189942 /nfs/dbraw/zinc/18/99/42/191189942.db2.gz MCYWCVOVWFCENF-MSOLQXFVSA-N 1 3 315.461 2.109 20 0 DEADHO CC(C)C[C@@H](N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309695419 539878568 /nfs/dbraw/zinc/87/85/68/539878568.db2.gz DURVMCGEFGJTTN-ZWKOTPCHSA-N 1 3 317.477 2.388 20 0 DEADHO CC(C)C[C@@H](N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309695419 539878570 /nfs/dbraw/zinc/87/85/70/539878570.db2.gz DURVMCGEFGJTTN-ZWKOTPCHSA-N 1 3 317.477 2.388 20 0 DEADHO c1c[nH]c(CNCCc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000182050743 199379535 /nfs/dbraw/zinc/37/95/35/199379535.db2.gz UROOBIALYXCFFA-UHFFFAOYSA-N 1 3 314.433 2.217 20 0 DEADHO OC[C@@H](Cc1ccccc1)N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000317879966 282880339 /nfs/dbraw/zinc/88/03/39/282880339.db2.gz YVZAKXNICZGWLD-AKHDSKFASA-N 1 3 302.462 2.490 20 0 DEADHO CCC(CC)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCOCC1 ZINC000339065413 539985488 /nfs/dbraw/zinc/98/54/88/539985488.db2.gz BLOUNJCAONVUAY-FHWLQOOXSA-N 1 3 323.525 2.340 20 0 DEADHO CCC(CC)[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)N1CCOCC1 ZINC000339065413 539985489 /nfs/dbraw/zinc/98/54/89/539985489.db2.gz BLOUNJCAONVUAY-FHWLQOOXSA-N 1 3 323.525 2.340 20 0 DEADHO O=C(NCCC[NH2+]C1CCCCC1)NC1CCN(C2CC2)CC1 ZINC000043034381 354211120 /nfs/dbraw/zinc/21/11/20/354211120.db2.gz BXFWKSNOIRUVSI-UHFFFAOYSA-N 1 3 322.497 2.225 20 0 DEADHO C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)C[NH+]1CCCCC1 ZINC000074225646 355016028 /nfs/dbraw/zinc/01/60/28/355016028.db2.gz QYWNXAUSFKKVHR-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO CN1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)[C@H]2C1 ZINC000352807898 283071360 /nfs/dbraw/zinc/07/13/60/283071360.db2.gz XIEQFIMUEIYUON-NUJGCVRESA-N 1 3 319.493 2.194 20 0 DEADHO CN1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)[C@H]2C1 ZINC000352807898 283071361 /nfs/dbraw/zinc/07/13/61/283071361.db2.gz XIEQFIMUEIYUON-NUJGCVRESA-N 1 3 319.493 2.194 20 0 DEADHO O=C(Nc1ccc2c(c1F)CCNC2)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000353463637 540069258 /nfs/dbraw/zinc/06/92/58/540069258.db2.gz VXRHRLQIVTXTBL-LSDHHAIUSA-N 1 3 317.408 2.046 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000073489078 191320638 /nfs/dbraw/zinc/32/06/38/191320638.db2.gz APZSYXQQEFVBNC-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO O=C1CCCN1CCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000076965944 355176551 /nfs/dbraw/zinc/17/65/51/355176551.db2.gz JJXNGXUULFMCRW-UHFFFAOYSA-N 1 3 307.482 2.197 20 0 DEADHO CN1CCC(O)(C[NH2+]Cc2ccccc2C(F)(F)F)CC1 ZINC000077450593 355206041 /nfs/dbraw/zinc/20/60/41/355206041.db2.gz ROJIAHAOKFMFRD-UHFFFAOYSA-N 1 3 302.340 2.252 20 0 DEADHO O=C(CC[NH2+]C1CC1)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000381095398 540123117 /nfs/dbraw/zinc/12/31/17/540123117.db2.gz YCGYVWOAFWJHTC-KRWDZBQOSA-N 1 3 315.461 2.157 20 0 DEADHO CC(C)[NH+](CCCNC(=O)NC[C@@H](C)N(C)C1CC1)C(C)C ZINC000074876045 191376920 /nfs/dbraw/zinc/37/69/20/191376920.db2.gz OWQXNBNXOBQGDT-OAHLLOKOSA-N 1 3 312.502 2.277 20 0 DEADHO CC(C)[NH+](CCCNC(=O)NC[C@H](C)N(C)C1CC1)C(C)C ZINC000074876046 191376940 /nfs/dbraw/zinc/37/69/40/191376940.db2.gz OWQXNBNXOBQGDT-HNNXBMFYSA-N 1 3 312.502 2.277 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCCN1CCCCC1 ZINC000078989020 355290403 /nfs/dbraw/zinc/29/04/03/355290403.db2.gz XUGJOAIIQTTWHX-KRWDZBQOSA-N 1 3 324.513 2.426 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCCN1CCCCC1 ZINC000078989020 355290409 /nfs/dbraw/zinc/29/04/09/355290409.db2.gz XUGJOAIIQTTWHX-KRWDZBQOSA-N 1 3 324.513 2.426 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171622584 295903663 /nfs/dbraw/zinc/90/36/63/295903663.db2.gz HYRLRRNFHHGRPM-IRXDYDNUSA-N 1 3 322.497 2.131 20 0 DEADHO O=C(NCCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000089582680 355536499 /nfs/dbraw/zinc/53/64/99/355536499.db2.gz SXBVXQPWLBFAJC-DLBZAZTESA-N 1 3 319.424 2.162 20 0 DEADHO O=C(NCCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000089582680 355536503 /nfs/dbraw/zinc/53/65/03/355536503.db2.gz SXBVXQPWLBFAJC-DLBZAZTESA-N 1 3 319.424 2.162 20 0 DEADHO CC[N@@H+]1CC[C@H](N[C@H]2COc3cc(OC)ccc3C2)[C@H](C)C1 ZINC000090964560 355570112 /nfs/dbraw/zinc/57/01/12/355570112.db2.gz BIFCVOCGTWNKGZ-UNEWFSDZSA-N 1 3 304.434 2.319 20 0 DEADHO CC[N@H+]1CC[C@H](N[C@H]2COc3cc(OC)ccc3C2)[C@H](C)C1 ZINC000090964560 355570114 /nfs/dbraw/zinc/57/01/14/355570114.db2.gz BIFCVOCGTWNKGZ-UNEWFSDZSA-N 1 3 304.434 2.319 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+](C)CC[C@@H](C)O)CC1 ZINC000093481703 355683739 /nfs/dbraw/zinc/68/37/39/355683739.db2.gz YWXZVQQXZNEWAO-MRXNPFEDSA-N 1 3 305.466 2.031 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+](C)CC[C@@H](C)O)CC1 ZINC000093481703 355683741 /nfs/dbraw/zinc/68/37/41/355683741.db2.gz YWXZVQQXZNEWAO-MRXNPFEDSA-N 1 3 305.466 2.031 20 0 DEADHO COc1ccc(C[C@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1 ZINC000128255183 355827545 /nfs/dbraw/zinc/82/75/45/355827545.db2.gz IVDRUUNNWMIUFD-KRWDZBQOSA-N 1 3 319.493 2.243 20 0 DEADHO C[NH+](C)CCc1ccc(NC(=O)C2(N)Cc3ccccc3C2)cc1 ZINC000370777844 283132985 /nfs/dbraw/zinc/13/29/85/283132985.db2.gz COYOZBMJMYEEFB-UHFFFAOYSA-N 1 3 323.440 2.226 20 0 DEADHO CCN1CCC(CC[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)CC1 ZINC000183031783 356157020 /nfs/dbraw/zinc/15/70/20/356157020.db2.gz PHZBZMTZJIHMAS-JKSUJKDBSA-N 1 3 316.511 2.054 20 0 DEADHO [NH3+][C@H](CCC(=O)NC1CCN(C2CC2)CC1)c1ccccc1 ZINC000237914029 356301220 /nfs/dbraw/zinc/30/12/20/356301220.db2.gz AIIRVPLBULVILL-QGZVFWFLSA-N 1 3 301.434 2.210 20 0 DEADHO C[C@H](CC(=O)N1CCC[C@H]1CN1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000262647740 356343092 /nfs/dbraw/zinc/34/30/92/356343092.db2.gz AJFRBNMUPWRLOL-SQNIBIBYSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)[C@H](C(=O)Nc1cccc(OCCN(C)C)c1)[C@H](C)[NH3+] ZINC000399631353 283153689 /nfs/dbraw/zinc/15/36/89/283153689.db2.gz GHYZTMPAMRQYBR-BBRMVZONSA-N 1 3 307.438 2.185 20 0 DEADHO CCC[NH+]1CCC(N(C)C(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000321083012 356449059 /nfs/dbraw/zinc/44/90/59/356449059.db2.gz FAWKYYAVZHGANG-SFHVURJKSA-N 1 3 315.461 2.206 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000358145897 535306091 /nfs/dbraw/zinc/30/60/91/535306091.db2.gz UFKYKBHMRLRBTO-WBVHZDCISA-N 1 3 324.513 2.423 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000358145897 535306096 /nfs/dbraw/zinc/30/60/96/535306096.db2.gz UFKYKBHMRLRBTO-WBVHZDCISA-N 1 3 324.513 2.423 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000458810466 283181439 /nfs/dbraw/zinc/18/14/39/283181439.db2.gz KVNPPNQTWJXCJB-HOTGVXAUSA-N 1 3 312.502 2.231 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000458810466 283181443 /nfs/dbraw/zinc/18/14/43/283181443.db2.gz KVNPPNQTWJXCJB-HOTGVXAUSA-N 1 3 312.502 2.231 20 0 DEADHO CCC[C@H](N)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000236849554 202037818 /nfs/dbraw/zinc/03/78/18/202037818.db2.gz DUYPSVLXKUUDAM-HNNXBMFYSA-N 1 3 309.479 2.204 20 0 DEADHO CC[NH+]1CCC(N(C)C(=O)[C@@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000236854821 202039437 /nfs/dbraw/zinc/03/94/37/202039437.db2.gz YIHICXKJZSKHKI-WMLDXEAASA-N 1 3 303.450 2.265 20 0 DEADHO CCC[NH+](CCC)CCCC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000346307831 535321722 /nfs/dbraw/zinc/32/17/22/535321722.db2.gz DTCOEBLAJHNBKQ-GOSISDBHSA-N 1 3 309.498 2.443 20 0 DEADHO CCC[C@H](N)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000237036693 202130628 /nfs/dbraw/zinc/13/06/28/202130628.db2.gz NXKDPBISCPVSJC-SJORKVTESA-N 1 3 303.450 2.094 20 0 DEADHO CCC[C@H](N)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000237036693 202130631 /nfs/dbraw/zinc/13/06/31/202130631.db2.gz NXKDPBISCPVSJC-SJORKVTESA-N 1 3 303.450 2.094 20 0 DEADHO CCCN(CCC)C(=O)CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000367199889 283200819 /nfs/dbraw/zinc/20/08/19/283200819.db2.gz MDAMTHXOGIDAHQ-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CN1CCC(Nc2ccccc2NC(=O)C2CC[NH2+]CC2)CC1 ZINC000237170676 202174731 /nfs/dbraw/zinc/17/47/31/202174731.db2.gz HRQNUJULQFMIND-UHFFFAOYSA-N 1 3 316.449 2.131 20 0 DEADHO CN(C)CCOC1CC[NH+](CC2Cc3ccccc3C2)CC1 ZINC000578288721 356789997 /nfs/dbraw/zinc/78/99/97/356789997.db2.gz MAIUYYUSEQAXOZ-UHFFFAOYSA-N 1 3 302.462 2.444 20 0 DEADHO C[C@H](Cn1ccnc1)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000579580564 356997297 /nfs/dbraw/zinc/99/72/97/356997297.db2.gz AOMUSDHDXYXJBH-KYJSFNMBSA-N 1 3 312.417 2.117 20 0 DEADHO CC[NH2+]CC1CCN(C(=O)N[C@@H](C)CN2CCC(C)CC2)CC1 ZINC000580963866 357109840 /nfs/dbraw/zinc/10/98/40/357109840.db2.gz DUHRGHZVKINXML-INIZCTEOSA-N 1 3 324.513 2.138 20 0 DEADHO COc1ccc([C@H]2C[C@H](N[C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])C2)cc1F ZINC000580827816 357085604 /nfs/dbraw/zinc/08/56/04/357085604.db2.gz QVGDAQIFIFFXKW-WDGOXLLCSA-N 1 3 322.424 2.422 20 0 DEADHO COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)N)C2)cc1F ZINC000580827816 357085607 /nfs/dbraw/zinc/08/56/07/357085607.db2.gz QVGDAQIFIFFXKW-WDGOXLLCSA-N 1 3 322.424 2.422 20 0 DEADHO COc1cc2c(cc1CNCC[C@@H]1CCC[NH2+]C1)O[C@@H](C)C2 ZINC000584826374 357316142 /nfs/dbraw/zinc/31/61/42/357316142.db2.gz LCWLXYWBHOHLMD-KBPBESRZSA-N 1 3 304.434 2.498 20 0 DEADHO O=C(Nc1ccc2c(c1F)CCNC2)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000261689369 295945234 /nfs/dbraw/zinc/94/52/34/295945234.db2.gz IEZQTUZFEWMHOU-PEYYIBSZSA-N 1 3 317.408 2.331 20 0 DEADHO COCCCN1CCC([NH2+]Cc2ccc3[nH]cnc3c2)CC1 ZINC000589649489 357487345 /nfs/dbraw/zinc/48/73/45/357487345.db2.gz QDYDXRAAUNKSKS-UHFFFAOYSA-N 1 3 302.422 2.153 20 0 DEADHO COCCC[NH+]1CCC(NCc2ccc3[nH]cnc3c2)CC1 ZINC000589649489 357487348 /nfs/dbraw/zinc/48/73/48/357487348.db2.gz QDYDXRAAUNKSKS-UHFFFAOYSA-N 1 3 302.422 2.153 20 0 DEADHO C[N@H+](CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)CC(C)(C)C ZINC000591470702 357727842 /nfs/dbraw/zinc/72/78/42/357727842.db2.gz SMJGLXQHMSTODL-QGZVFWFLSA-N 1 3 317.477 2.355 20 0 DEADHO C[N@@H+](CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)CC(C)(C)C ZINC000591470702 357727848 /nfs/dbraw/zinc/72/78/48/357727848.db2.gz SMJGLXQHMSTODL-QGZVFWFLSA-N 1 3 317.477 2.355 20 0 DEADHO CC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)C(=O)NC ZINC000449769620 283280258 /nfs/dbraw/zinc/28/02/58/283280258.db2.gz DRGNOOPRLJBKAX-ZJPYXAASSA-N 1 3 315.461 2.011 20 0 DEADHO COC(=O)COc1ccccc1[C@@H](C)N[C@@H]1CC12CC[NH2+]CC2 ZINC000591581210 357738331 /nfs/dbraw/zinc/73/83/31/357738331.db2.gz NSBJZTJKNVPGHZ-CZUORRHYSA-N 1 3 318.417 2.031 20 0 DEADHO C[C@@H]1[C@H](C(=O)N2CCN(CC3CCCCC3)CC2)CC[N@@H+]1C ZINC000648753352 540282562 /nfs/dbraw/zinc/28/25/62/540282562.db2.gz PSOVZJCSFYMJJB-NVXWUHKLSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1[C@H](C(=O)N2CCN(CC3CCCCC3)CC2)CC[N@H+]1C ZINC000648753352 540282565 /nfs/dbraw/zinc/28/25/65/540282565.db2.gz PSOVZJCSFYMJJB-NVXWUHKLSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1[C@H](C(=O)N(CCN(C)C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000648753881 540283307 /nfs/dbraw/zinc/28/33/07/540283307.db2.gz MOTRVEKNQJKFEH-RHSMWYFYSA-N 1 3 321.440 2.056 20 0 DEADHO C[C@@H]1[C@H](C(=O)N(CCN(C)C)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000648753881 540283310 /nfs/dbraw/zinc/28/33/10/540283310.db2.gz MOTRVEKNQJKFEH-RHSMWYFYSA-N 1 3 321.440 2.056 20 0 DEADHO Cc1ccc([C@H](CNC(=O)C2([NH2+]C3CC3)CCC2)N(C)C)cc1 ZINC000662690863 540333605 /nfs/dbraw/zinc/33/36/05/540333605.db2.gz OONYGDXUIRPFIK-KRWDZBQOSA-N 1 3 315.461 2.389 20 0 DEADHO CC(C)C[C@H](C[NH3+])CC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000662823749 540334993 /nfs/dbraw/zinc/33/49/93/540334993.db2.gz SRDOOIXZEWSHDG-YOEHRIQHSA-N 1 3 303.450 2.082 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000594795848 358338184 /nfs/dbraw/zinc/33/81/84/358338184.db2.gz BTOOJGGWZIEGRO-KRWDZBQOSA-N 1 3 316.449 2.354 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000594795848 358338190 /nfs/dbraw/zinc/33/81/90/358338190.db2.gz BTOOJGGWZIEGRO-KRWDZBQOSA-N 1 3 316.449 2.354 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000594953205 358367114 /nfs/dbraw/zinc/36/71/14/358367114.db2.gz DKPVZBAOISLWKY-RDJZCZTQSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000594953205 358367116 /nfs/dbraw/zinc/36/71/16/358367116.db2.gz DKPVZBAOISLWKY-RDJZCZTQSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCC[NH+](C)C)C1 ZINC000618931150 363641588 /nfs/dbraw/zinc/64/15/88/363641588.db2.gz WQRMILPZOGGCDB-NVXWUHKLSA-N 1 3 318.465 2.073 20 0 DEADHO COC(=O)c1cc(C[NH2+]C[C@@H]2CCCN(C)C2)n2c1CCCC2 ZINC000598632660 359268367 /nfs/dbraw/zinc/26/83/67/359268367.db2.gz BQADFEQRSILZRN-AWEZNQCLSA-N 1 3 319.449 2.042 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CN2CCC(C)CC2)CC1 ZINC000618989269 363659854 /nfs/dbraw/zinc/65/98/54/363659854.db2.gz LVQZLTJMEUBJQN-INIZCTEOSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](NC(=O)Nc1ccc2c(c1)CNCC2)C1CC[NH+](C)CC1 ZINC000667742324 540518694 /nfs/dbraw/zinc/51/86/94/540518694.db2.gz MFLWJLVPAOWYAM-ZDUSSCGKSA-N 1 3 316.449 2.184 20 0 DEADHO C[C@H]1CN(C(=O)Nc2cccc(C[NH3+])c2)CCN(C2CCC2)C1 ZINC000667734213 540516387 /nfs/dbraw/zinc/51/63/87/540516387.db2.gz UOBOOLCMVXHYOI-CQSZACIVSA-N 1 3 316.449 2.483 20 0 DEADHO COc1cc(CNCC2(SC)CC[NH+](C)CC2)sn1 ZINC000602668359 360486527 /nfs/dbraw/zinc/48/65/27/360486527.db2.gz WMFFWUPZFLXHFK-UHFFFAOYSA-N 1 3 301.481 2.069 20 0 DEADHO Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCC[C@H](CC[NH3+])C1 ZINC000443061984 238101117 /nfs/dbraw/zinc/10/11/17/238101117.db2.gz SWUCLTVSBOGIHP-IAGOWNOFSA-N 1 3 317.477 2.403 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)NC1(C[NH+](C)C)CCC1 ZINC000281280995 216208129 /nfs/dbraw/zinc/20/81/29/216208129.db2.gz BVNNMHAKNSBCPK-UHFFFAOYSA-N 1 3 318.465 2.397 20 0 DEADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2CCCC[NH2+]2)N(C)C)cc1 ZINC000669418972 540829473 /nfs/dbraw/zinc/82/94/73/540829473.db2.gz OYCHLNNSGOEYTB-SJORKVTESA-N 1 3 318.465 2.039 20 0 DEADHO CCn1ccc(C[N@H+](C)CCCN2CCN(C(C)C)CC2)c1 ZINC000669693685 540881132 /nfs/dbraw/zinc/88/11/32/540881132.db2.gz WGUWHWBFIYQPRB-UHFFFAOYSA-N 1 3 306.498 2.356 20 0 DEADHO CCn1ccc(C[N@@H+](C)CCCN2CCN(C(C)C)CC2)c1 ZINC000669693685 540881133 /nfs/dbraw/zinc/88/11/33/540881133.db2.gz WGUWHWBFIYQPRB-UHFFFAOYSA-N 1 3 306.498 2.356 20 0 DEADHO Cn1cc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)c(-c2ccncc2)n1 ZINC000292794714 223249816 /nfs/dbraw/zinc/24/98/16/223249816.db2.gz MUBFRSJDDYSURP-SFHVURJKSA-N 1 3 311.433 2.010 20 0 DEADHO Cn1cc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)c(-c2ccncc2)n1 ZINC000292794714 223249817 /nfs/dbraw/zinc/24/98/17/223249817.db2.gz MUBFRSJDDYSURP-SFHVURJKSA-N 1 3 311.433 2.010 20 0 DEADHO C[C@H](NC(=O)N[C@H]1CCCN(C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000672754209 541060374 /nfs/dbraw/zinc/06/03/74/541060374.db2.gz SOFFGCPQLYTCPJ-BHYGNILZSA-N 1 3 318.465 2.071 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000672942611 541076747 /nfs/dbraw/zinc/07/67/47/541076747.db2.gz JOSQKEBDASQBTO-BBWFWOEESA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H](NCCOCC[NH+](C)C)c1cnn(Cc2ccccc2)c1 ZINC000447602174 239040424 /nfs/dbraw/zinc/04/04/24/239040424.db2.gz SVZVWGATEJZOKP-INIZCTEOSA-N 1 3 316.449 2.160 20 0 DEADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000675185967 541297905 /nfs/dbraw/zinc/29/79/05/541297905.db2.gz ZOWZOYJRIUWLEB-IRXDYDNUSA-N 1 3 324.513 2.280 20 0 DEADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N(CCN(C)C)CC(C)C ZINC000675192963 541299883 /nfs/dbraw/zinc/29/98/83/541299883.db2.gz AJGGACCFBODRCU-INIZCTEOSA-N 1 3 312.502 2.090 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000621106523 364258325 /nfs/dbraw/zinc/25/83/25/364258325.db2.gz MYHLCBSHTYFOHG-UXLLHSPISA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000621106523 364258328 /nfs/dbraw/zinc/25/83/28/364258328.db2.gz MYHLCBSHTYFOHG-UXLLHSPISA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000623063600 364872329 /nfs/dbraw/zinc/87/23/29/364872329.db2.gz HSWNYMZKWIXUPP-WMLDXEAASA-N 1 3 302.422 2.093 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000623072355 364875447 /nfs/dbraw/zinc/87/54/47/364875447.db2.gz YUPFLFJMHLZDER-LSDHHAIUSA-N 1 3 302.422 2.140 20 0 DEADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2COCCO2)CC1 ZINC000449093963 240048101 /nfs/dbraw/zinc/04/81/01/240048101.db2.gz XQNJFDUBIWBSET-VQIMIIECSA-N 1 3 318.461 2.087 20 0 DEADHO C[C@H](NC1CC1)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000449110806 240070076 /nfs/dbraw/zinc/07/00/76/240070076.db2.gz GTXZOKBKSPZXKJ-JKSUJKDBSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]([NH2+]C1CC1)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000449135442 240100196 /nfs/dbraw/zinc/10/01/96/240100196.db2.gz POBDPFOSJAPPML-XEZPLFJOSA-N 1 3 321.490 2.388 20 0 DEADHO C[C@@H](Cc1coc2ccccc12)[NH2+]CC1(O)CCN(C)CC1 ZINC000449164837 240138224 /nfs/dbraw/zinc/13/82/24/240138224.db2.gz RLYHRRFJWKDZGD-AWEZNQCLSA-N 1 3 302.418 2.410 20 0 DEADHO C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)C1=CCN(C)CC1 ZINC000357809525 296076596 /nfs/dbraw/zinc/07/65/96/296076596.db2.gz BETZYNOZMQOSBU-OAHLLOKOSA-N 1 3 322.497 2.201 20 0 DEADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000623707690 365137579 /nfs/dbraw/zinc/13/75/79/365137579.db2.gz JMUZMBVURAISLP-DOTOQJQBSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H](NC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)C1=CCN(C)CC1 ZINC000357858206 296082421 /nfs/dbraw/zinc/08/24/21/296082421.db2.gz UVAKTMFNOYKPOW-OWCLPIDISA-N 1 3 322.497 2.056 20 0 DEADHO C[C@@H](NC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)C1=CCN(C)CC1 ZINC000357858206 296082423 /nfs/dbraw/zinc/08/24/23/296082423.db2.gz UVAKTMFNOYKPOW-OWCLPIDISA-N 1 3 322.497 2.056 20 0 DEADHO CC(C)[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000676697449 541483043 /nfs/dbraw/zinc/48/30/43/541483043.db2.gz WZWWNXRRJNSLKY-RDJZCZTQSA-N 1 3 307.482 2.382 20 0 DEADHO COc1ccc([C@H]2CCN(C[C@@H]3CCC4(C[NH2+]C4)O3)C2)cc1F ZINC000629588631 367265574 /nfs/dbraw/zinc/26/55/74/367265574.db2.gz KDFGSEWNLXINFO-GJZGRUSLSA-N 1 3 320.408 2.145 20 0 DEADHO N[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c2ccccc21 ZINC000629534957 367240438 /nfs/dbraw/zinc/24/04/38/367240438.db2.gz BTFFNLPMGWDEQH-CBZIJGRNSA-N 1 3 311.385 2.352 20 0 DEADHO CC(C)c1ccccc1OCC[NH2+]C[C@H](O)CN1CCCC1 ZINC000629559205 367251506 /nfs/dbraw/zinc/25/15/06/367251506.db2.gz ARIYQXSHZFIOCU-INIZCTEOSA-N 1 3 306.450 2.235 20 0 DEADHO CCCC[N@H+](C)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000629961221 367401437 /nfs/dbraw/zinc/40/14/37/367401437.db2.gz BWUPXWHPFFXIRN-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@@H+](C)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000629961221 367401439 /nfs/dbraw/zinc/40/14/39/367401439.db2.gz BWUPXWHPFFXIRN-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@H]([NH2+]C[C@H]1CCNC(=O)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000450729457 242154609 /nfs/dbraw/zinc/15/46/09/242154609.db2.gz SFXCVSNWWOZKKF-XHSDSOJGSA-N 1 3 307.482 2.145 20 0 DEADHO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCNCC(C)(C)C2)C12CCOCC2 ZINC000630681623 367791529 /nfs/dbraw/zinc/79/15/29/367791529.db2.gz LAHVQCVUCJORBX-ARFHVFGLSA-N 1 3 310.482 2.328 20 0 DEADHO CCO[C@@H]1C[C@@H](N[C@H]2CC[NH2+]CC(C)(C)C2)C12CCOCC2 ZINC000630681623 367791537 /nfs/dbraw/zinc/79/15/37/367791537.db2.gz LAHVQCVUCJORBX-ARFHVFGLSA-N 1 3 310.482 2.328 20 0 DEADHO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCNCC(C)(C)C2)C12CCOCC2 ZINC000630681625 367791791 /nfs/dbraw/zinc/79/17/91/367791791.db2.gz LAHVQCVUCJORBX-HRCADAONSA-N 1 3 310.482 2.328 20 0 DEADHO CCO[C@@H]1C[C@H](N[C@H]2CC[NH2+]CC(C)(C)C2)C12CCOCC2 ZINC000630681625 367791795 /nfs/dbraw/zinc/79/17/95/367791795.db2.gz LAHVQCVUCJORBX-HRCADAONSA-N 1 3 310.482 2.328 20 0 DEADHO C[NH+](C)CCOc1ccc(CNCc2ccc(=O)[nH]c2)cc1 ZINC000631044192 367986103 /nfs/dbraw/zinc/98/61/03/367986103.db2.gz FXAAKPIRJTYROQ-UHFFFAOYSA-N 1 3 301.390 2.017 20 0 DEADHO C[NH+](C)C1CCN(CCN[C@H]2CCCc3ncccc32)CC1 ZINC000631586041 368299425 /nfs/dbraw/zinc/29/94/25/368299425.db2.gz WZCXEXKUZWXWOF-SFHVURJKSA-N 1 3 302.466 2.075 20 0 DEADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2[nH]nc3ccccc32)C1 ZINC000678285002 541706510 /nfs/dbraw/zinc/70/65/10/541706510.db2.gz LFKBVJYZTKEUMQ-OAHLLOKOSA-N 1 3 316.449 2.496 20 0 DEADHO CN(CCCNC(=O)CC[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000261549152 203074651 /nfs/dbraw/zinc/07/46/51/203074651.db2.gz OGPKISOLDIFNLN-MRXNPFEDSA-N 1 3 303.450 2.014 20 0 DEADHO N[C@@H](CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)c1ccccc1 ZINC000261675664 203091290 /nfs/dbraw/zinc/09/12/90/203091290.db2.gz HXCTZWZNSPFZAV-OKZBNKHCSA-N 1 3 309.413 2.030 20 0 DEADHO CN(C)CCOc1ccc(NC(=O)C[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000261839611 203130892 /nfs/dbraw/zinc/13/08/92/203130892.db2.gz IQYXLOQZIRYPBT-RHSMWYFYSA-N 1 3 319.449 2.473 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000262319913 203261447 /nfs/dbraw/zinc/26/14/47/203261447.db2.gz VKOKNRFQTCAASX-KZNAEPCWSA-N 1 3 315.461 2.457 20 0 DEADHO Oc1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000679394301 541849742 /nfs/dbraw/zinc/84/97/42/541849742.db2.gz LEZMRJJPKJJISR-ZWKOTPCHSA-N 1 3 304.434 2.250 20 0 DEADHO CC(C)N(C)CC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000264866101 204220353 /nfs/dbraw/zinc/22/03/53/204220353.db2.gz FWEYJDKUKAEERE-UHFFFAOYSA-N 1 3 307.438 2.043 20 0 DEADHO CCN(C)CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000264925945 204275966 /nfs/dbraw/zinc/27/59/66/204275966.db2.gz RBOCQMSXTYNXCC-UHFFFAOYSA-N 1 3 303.450 2.354 20 0 DEADHO O=C1[C@H](N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CCN1C1CCCCC1 ZINC000530226810 284379204 /nfs/dbraw/zinc/37/92/04/284379204.db2.gz ZGEJABPYEBZXOA-SOLBZPMBSA-N 1 3 319.493 2.242 20 0 DEADHO O=C1[C@H](N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCN1C1CCCCC1 ZINC000530226811 284379388 /nfs/dbraw/zinc/37/93/88/284379388.db2.gz ZGEJABPYEBZXOA-XYJFISCASA-N 1 3 319.493 2.242 20 0 DEADHO COc1ccccc1[C@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000154374951 291587222 /nfs/dbraw/zinc/58/72/22/291587222.db2.gz RQWZJNVWUMNXBB-INIZCTEOSA-N 1 3 305.466 2.373 20 0 DEADHO CCOC[C@H](O)CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000267493345 206106379 /nfs/dbraw/zinc/10/63/79/206106379.db2.gz OZBXTASBCNKGRV-BHIYHBOVSA-N 1 3 320.477 2.369 20 0 DEADHO CCOC[C@H](O)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000267493345 206106383 /nfs/dbraw/zinc/10/63/83/206106383.db2.gz OZBXTASBCNKGRV-BHIYHBOVSA-N 1 3 320.477 2.369 20 0 DEADHO C[C@H](C(=O)NC1CC[NH+](C2CCC2)CC1)N1[C@H](C)CC[C@H]1C ZINC000456684316 247355578 /nfs/dbraw/zinc/35/55/78/247355578.db2.gz NVBLBFSCYZSNEY-RBSFLKMASA-N 1 3 307.482 2.381 20 0 DEADHO CN(C)C/C=C\C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000492739506 249128332 /nfs/dbraw/zinc/12/83/32/249128332.db2.gz QQVKLVPUWHFTJE-IEODJVTJSA-N 1 3 315.461 2.131 20 0 DEADHO CN(C)C/C=C\C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000492739506 249128335 /nfs/dbraw/zinc/12/83/35/249128335.db2.gz QQVKLVPUWHFTJE-IEODJVTJSA-N 1 3 315.461 2.131 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)/C=C/C[NH+](C)C)C1 ZINC000493075818 249215059 /nfs/dbraw/zinc/21/50/59/249215059.db2.gz AOIKGORSQZOZBB-PYUISTEWSA-N 1 3 315.461 2.085 20 0 DEADHO COc1ccc(C[C@H](C)CNC[C@H](O)C[NH+]2CCCC2)cc1F ZINC000273827676 211093077 /nfs/dbraw/zinc/09/30/77/211093077.db2.gz YGSJYLLGQWRZGE-HOCLYGCPSA-N 1 3 324.440 2.059 20 0 DEADHO CN1CCC[C@H](NC(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000682108507 542265756 /nfs/dbraw/zinc/26/57/56/542265756.db2.gz AIGACNSNTPVLCT-HNNXBMFYSA-N 1 3 304.438 2.006 20 0 DEADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H](O)CN1CCCC1 ZINC000268862874 207031097 /nfs/dbraw/zinc/03/10/97/207031097.db2.gz SKADJLLMCAZTLZ-QAPCUYQASA-N 1 3 304.434 2.119 20 0 DEADHO COc1cccc2c1CC[C@@H]2[NH2+]CCCN1CCCN(C)CC1 ZINC000268866194 207036262 /nfs/dbraw/zinc/03/62/62/207036262.db2.gz IZCGHQKAQJYSAP-SFHVURJKSA-N 1 3 317.477 2.300 20 0 DEADHO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000269051532 207201556 /nfs/dbraw/zinc/20/15/56/207201556.db2.gz RHFADIKUWCLAAB-LSDHHAIUSA-N 1 3 306.450 2.234 20 0 DEADHO C[C@@H](NCCCC[NH+](C)C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000269059440 207209464 /nfs/dbraw/zinc/20/94/64/207209464.db2.gz XLLIWFDNVWQBFJ-GFCCVEGCSA-N 1 3 316.442 2.222 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](CN)c1ccccc1 ZINC000269246648 207380935 /nfs/dbraw/zinc/38/09/35/207380935.db2.gz VAVXFJJOVPUEHP-DOTOQJQBSA-N 1 3 303.450 2.110 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H](CN)c1ccccc1 ZINC000269246648 207380939 /nfs/dbraw/zinc/38/09/39/207380939.db2.gz VAVXFJJOVPUEHP-DOTOQJQBSA-N 1 3 303.450 2.110 20 0 DEADHO C[C@@H](CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)N(C)C1CC1 ZINC000116545993 194755983 /nfs/dbraw/zinc/75/59/83/194755983.db2.gz BRPOHLSQNIVYHP-DZGCQCFKSA-N 1 3 312.502 2.135 20 0 DEADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1cccc(N2CCC2=O)c1 ZINC000423096880 532995818 /nfs/dbraw/zinc/99/58/18/532995818.db2.gz IJVMKIHDLAVCBT-BEFAXECRSA-N 1 3 323.440 2.471 20 0 DEADHO C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCC[C@H](CC[NH3+])C1 ZINC000443076436 533177160 /nfs/dbraw/zinc/17/71/60/533177160.db2.gz SCELKLGAWRLQMU-DOTOQJQBSA-N 1 3 303.450 2.094 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1C[C@H]1C(C)C ZINC000459243989 285278269 /nfs/dbraw/zinc/27/82/69/285278269.db2.gz IKLWLVNXPZDDMT-YESZJQIVSA-N 1 3 324.513 2.088 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1C[C@H]1C(C)C ZINC000459243989 285278273 /nfs/dbraw/zinc/27/82/73/285278273.db2.gz IKLWLVNXPZDDMT-YESZJQIVSA-N 1 3 324.513 2.088 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(F)cc1 ZINC000299726151 285281039 /nfs/dbraw/zinc/28/10/39/285281039.db2.gz RAJXTUNPYJDFGH-KRWDZBQOSA-N 1 3 321.440 2.314 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(F)cc1 ZINC000299726151 285281042 /nfs/dbraw/zinc/28/10/42/285281042.db2.gz RAJXTUNPYJDFGH-KRWDZBQOSA-N 1 3 321.440 2.314 20 0 DEADHO COC[C@H](NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C1CCOCC1 ZINC000187780013 285399851 /nfs/dbraw/zinc/39/98/51/285399851.db2.gz XIENAKSTPCGLBY-NUJGCVRESA-N 1 3 312.498 2.386 20 0 DEADHO COC[C@H]([NH2+]CCCN1C[C@H](C)C[C@@H](C)C1)C1CCOCC1 ZINC000187780013 285399852 /nfs/dbraw/zinc/39/98/52/285399852.db2.gz XIENAKSTPCGLBY-NUJGCVRESA-N 1 3 312.498 2.386 20 0 DEADHO C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443061166 533279943 /nfs/dbraw/zinc/27/99/43/533279943.db2.gz RALKLNAQFTXWIR-ZFWWWQNUSA-N 1 3 323.868 2.406 20 0 DEADHO C[C@@H](NC(C)(C)CNC(=O)NC[C@@H]([NH3+])C1CC1)c1ccccc1 ZINC000417694892 533322500 /nfs/dbraw/zinc/32/25/00/533322500.db2.gz AFBMNSLTVVYFIS-CZUORRHYSA-N 1 3 318.465 2.152 20 0 DEADHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccncc1Cl ZINC000421837855 533394023 /nfs/dbraw/zinc/39/40/23/533394023.db2.gz UDPAPLITZKVRED-CYBMUJFWSA-N 1 3 310.873 2.412 20 0 DEADHO C/C(=C\c1ccccc1)C[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000356909358 533411717 /nfs/dbraw/zinc/41/17/17/533411717.db2.gz BYDLYIVNMSJPFB-IYICPGQYSA-N 1 3 315.461 2.267 20 0 DEADHO COc1ccc(C2(C[NH2+][C@@H](C)C[C@@H](C)N)CCOCC2)cc1 ZINC000422901564 533426371 /nfs/dbraw/zinc/42/63/71/533426371.db2.gz SCFSIIBSNDHNBS-CABCVRRESA-N 1 3 306.450 2.459 20 0 DEADHO COc1ccc(C2(CN[C@@H](C)C[C@@H](C)[NH3+])CCOCC2)cc1 ZINC000422901564 533426378 /nfs/dbraw/zinc/42/63/78/533426378.db2.gz SCFSIIBSNDHNBS-CABCVRRESA-N 1 3 306.450 2.459 20 0 DEADHO C[C@@H](CCC[NH3+])NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000417667102 533550046 /nfs/dbraw/zinc/55/00/46/533550046.db2.gz HMFXPALVDXQFDU-RDJZCZTQSA-N 1 3 318.465 2.078 20 0 DEADHO C[C@H]1CCN(C(=O)NCC(C)(C)[NH3+])CCN1Cc1ccccc1 ZINC000418423133 533604808 /nfs/dbraw/zinc/60/48/08/533604808.db2.gz FGNWCLXYGDJTCH-HNNXBMFYSA-N 1 3 318.465 2.030 20 0 DEADHO CC(C)C[C@@H](CO)[N@H+](C)Cc1ccc(OCCN(C)C)cc1 ZINC000685470238 542729230 /nfs/dbraw/zinc/72/92/30/542729230.db2.gz WJXMIPZULMDCFH-KRWDZBQOSA-N 1 3 308.466 2.466 20 0 DEADHO CC(C)C[C@@H](CO)[N@@H+](C)Cc1ccc(OCCN(C)C)cc1 ZINC000685470238 542729233 /nfs/dbraw/zinc/72/92/33/542729233.db2.gz WJXMIPZULMDCFH-KRWDZBQOSA-N 1 3 308.466 2.466 20 0 DEADHO C[C@@H](CC(=O)NCc1ccccc1CN(C)C)C1CC[NH2+]CC1 ZINC000163838412 132124589 /nfs/dbraw/zinc/12/45/89/132124589.db2.gz GGDSSLKQESBBJB-HNNXBMFYSA-N 1 3 317.477 2.390 20 0 DEADHO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1cccc2c1CCNC2 ZINC000562768276 292009631 /nfs/dbraw/zinc/00/96/31/292009631.db2.gz ZUJHHZANTLHLRT-CYBMUJFWSA-N 1 3 304.438 2.184 20 0 DEADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1cccc2c1CCNC2 ZINC000562768276 292009632 /nfs/dbraw/zinc/00/96/32/292009632.db2.gz ZUJHHZANTLHLRT-CYBMUJFWSA-N 1 3 304.438 2.184 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H](C)CN1CCCCC1 ZINC000357980829 133113552 /nfs/dbraw/zinc/11/35/52/133113552.db2.gz FVALRKONVLTBGF-JKSUJKDBSA-N 1 3 312.502 2.280 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H](C)CN1CCCCC1 ZINC000357980829 133113553 /nfs/dbraw/zinc/11/35/53/133113553.db2.gz FVALRKONVLTBGF-JKSUJKDBSA-N 1 3 312.502 2.280 20 0 DEADHO CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000360049693 133159439 /nfs/dbraw/zinc/15/94/39/133159439.db2.gz GFERGESADBNZEP-NVXWUHKLSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCc1nnc2n1CCCCC2 ZINC000562958647 292019602 /nfs/dbraw/zinc/01/96/02/292019602.db2.gz HPYAJZPBTTVKBT-JKSUJKDBSA-N 1 3 319.497 2.447 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)N2CCN(C3CCCCC3)CC2)CC[N@@H+]1C ZINC000362723642 133247969 /nfs/dbraw/zinc/24/79/69/133247969.db2.gz NIJZIAIYHGXISE-HOTGVXAUSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)N2CCN(C3CCCCC3)CC2)CC[N@H+]1C ZINC000362723642 133247970 /nfs/dbraw/zinc/24/79/70/133247970.db2.gz NIJZIAIYHGXISE-HOTGVXAUSA-N 1 3 322.497 2.129 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccccc1CN(C)C ZINC000362880460 133257048 /nfs/dbraw/zinc/25/70/48/133257048.db2.gz ZYZXSJJTNOZUST-INIZCTEOSA-N 1 3 303.450 2.305 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccccc1CN(C)C ZINC000362880460 133257049 /nfs/dbraw/zinc/25/70/49/133257049.db2.gz ZYZXSJJTNOZUST-INIZCTEOSA-N 1 3 303.450 2.305 20 0 DEADHO CC[NH+]1CCC(NC[C@@H](O)COc2c(C)ccc(C)c2C)CC1 ZINC000562984510 292021749 /nfs/dbraw/zinc/02/17/49/292021749.db2.gz FSEZHGDESPOCLS-GOSISDBHSA-N 1 3 320.477 2.425 20 0 DEADHO CN(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1 ZINC000377758559 133345494 /nfs/dbraw/zinc/34/54/94/133345494.db2.gz XMSCUETWLYZJQY-KSZLIROESA-N 1 3 315.461 2.041 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC(C)([NH2+]CCC2CC2)CC1)N(C)C ZINC001368661230 1148558653 /nfs/dbraw/zinc/55/86/53/1148558653.db2.gz CYGVMGRLQZNCHQ-INIZCTEOSA-N 1 3 309.498 2.343 20 0 DEADHO CC[NH2+][C@H](C)CNC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000418602302 285615555 /nfs/dbraw/zinc/61/55/55/285615555.db2.gz NAWASRIHRAVRAH-OAHLLOKOSA-N 1 3 312.502 2.138 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000563592407 292064841 /nfs/dbraw/zinc/06/48/41/292064841.db2.gz HWRGCZNGPSPSCO-JYJNAYRXSA-N 1 3 324.513 2.171 20 0 DEADHO COC[C@H](O)CNCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000563880979 292078004 /nfs/dbraw/zinc/07/80/04/292078004.db2.gz IMQLOXKEHGOEJL-MAUKXSAKSA-N 1 3 306.450 2.158 20 0 DEADHO COC[C@H](O)CNCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000563880979 292078005 /nfs/dbraw/zinc/07/80/05/292078005.db2.gz IMQLOXKEHGOEJL-MAUKXSAKSA-N 1 3 306.450 2.158 20 0 DEADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H](N)c1ccccc1 ZINC000563875320 292077665 /nfs/dbraw/zinc/07/76/65/292077665.db2.gz KKSNHLFTPUPHJV-IAGOWNOFSA-N 1 3 318.465 2.202 20 0 DEADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@@H](N)c1ccccc1 ZINC000563875320 292077667 /nfs/dbraw/zinc/07/76/67/292077667.db2.gz KKSNHLFTPUPHJV-IAGOWNOFSA-N 1 3 318.465 2.202 20 0 DEADHO C[C@@H](NC(=O)N(C)CCC[NH+](C)C)[C@H](c1ccccc1)N(C)C ZINC000563932932 292080282 /nfs/dbraw/zinc/08/02/82/292080282.db2.gz ARNIQLUTFXXNJG-NVXWUHKLSA-N 1 3 320.481 2.271 20 0 DEADHO C[C@@H]1CN(C(=O)c2ccc(Nc3ccncc3)cc2)[C@H](C)C[NH2+]1 ZINC000356374885 404482534 /nfs/dbraw/zinc/48/25/34/404482534.db2.gz SVNSHGCNTFGAKZ-ZIAGYGMSSA-N 1 3 310.401 2.070 20 0 DEADHO CCN(Cc1ccccc1)C(=O)C[NH2+][C@H]1CCN(CC)C[C@@H]1C ZINC000247098099 145126507 /nfs/dbraw/zinc/12/65/07/145126507.db2.gz SCHOOKMEIFSJRV-WMZOPIPTSA-N 1 3 317.477 2.355 20 0 DEADHO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CC[C@H]2CCCN2C)C1 ZINC000247313015 145132489 /nfs/dbraw/zinc/13/24/89/145132489.db2.gz RHJRIANNKBAVAE-GVDBMIGSSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC[C@H]2CCCN2C)C1 ZINC000247313015 145132491 /nfs/dbraw/zinc/13/24/91/145132491.db2.gz RHJRIANNKBAVAE-GVDBMIGSSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[C@H](C)NC(=O)[C@@H]1CCCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000247313015 145132493 /nfs/dbraw/zinc/13/24/93/145132493.db2.gz RHJRIANNKBAVAE-GVDBMIGSSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[C@H](C)NC(=O)[C@@H]1CCCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000247313015 145132494 /nfs/dbraw/zinc/13/24/94/145132494.db2.gz RHJRIANNKBAVAE-GVDBMIGSSA-N 1 3 309.498 2.488 20 0 DEADHO COCC[C@](C)(O)CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000248176682 145150350 /nfs/dbraw/zinc/15/03/50/145150350.db2.gz VRRITLXJJNGJPL-NJAFHUGGSA-N 1 3 312.498 2.407 20 0 DEADHO COCC[C@](C)(O)C[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000248176682 145150351 /nfs/dbraw/zinc/15/03/51/145150351.db2.gz VRRITLXJJNGJPL-NJAFHUGGSA-N 1 3 312.498 2.407 20 0 DEADHO C[C@H](NC(=O)[C@@H]1CCCCN1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261539440 145205952 /nfs/dbraw/zinc/20/59/52/145205952.db2.gz CLIIZWPYSMFRFX-JQHSSLGASA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H](NC(=O)[C@@H]1CCCCN1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261539440 145205954 /nfs/dbraw/zinc/20/59/54/145205954.db2.gz CLIIZWPYSMFRFX-JQHSSLGASA-N 1 3 315.461 2.155 20 0 DEADHO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccc2c(c1)CNC2 ZINC000261537296 145206158 /nfs/dbraw/zinc/20/61/58/145206158.db2.gz IRXSXBGGWOVLBA-UHFFFAOYSA-N 1 3 323.440 2.494 20 0 DEADHO [NH3+][C@@H](CC(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000261536595 145206494 /nfs/dbraw/zinc/20/64/94/145206494.db2.gz QMSKWZZDDUMHCA-OALUTQOASA-N 1 3 323.440 2.467 20 0 DEADHO CC1CCC(N2CCN(C(=O)CC[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000261897341 145238859 /nfs/dbraw/zinc/23/88/59/145238859.db2.gz UOUWFCIQWHQLBP-CGZBRXJRSA-N 1 3 307.482 2.099 20 0 DEADHO C[NH2+]CCc1ccccc1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000261950384 145245283 /nfs/dbraw/zinc/24/52/83/145245283.db2.gz WEDYZYJJNCWUKJ-KRWDZBQOSA-N 1 3 315.461 2.149 20 0 DEADHO C[NH2+]CCC1CCN(CC(=O)N([C@H](C)C2CC2)C2CC2)CC1 ZINC000262021991 145253799 /nfs/dbraw/zinc/25/37/99/145253799.db2.gz YDIUUMJXJXYKDH-CQSZACIVSA-N 1 3 307.482 2.097 20 0 DEADHO COC1([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)CCCCC1 ZINC000421849051 292134823 /nfs/dbraw/zinc/13/48/23/292134823.db2.gz BGAWBNWDPYUBAD-MRXNPFEDSA-N 1 3 311.514 2.340 20 0 DEADHO C[C@H](C(=O)NCc1ccccc1CN1CCCCC1)C1C[NH2+]C1 ZINC000262591919 145295568 /nfs/dbraw/zinc/29/55/68/145295568.db2.gz WJCVZWMOJYPQBI-HNNXBMFYSA-N 1 3 315.461 2.144 20 0 DEADHO [NH3+][C@@H]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000309855313 145350450 /nfs/dbraw/zinc/35/04/50/145350450.db2.gz BURLFSNCTXZAGB-RCCFBDPRSA-N 1 3 315.461 2.142 20 0 DEADHO NC1(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCCC1 ZINC000309745426 145351006 /nfs/dbraw/zinc/35/10/06/145351006.db2.gz UCHKORYSJXOQAP-QGZVFWFLSA-N 1 3 315.461 2.286 20 0 DEADHO NC1(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000309745426 145351009 /nfs/dbraw/zinc/35/10/09/145351009.db2.gz UCHKORYSJXOQAP-QGZVFWFLSA-N 1 3 315.461 2.286 20 0 DEADHO CC(C)[NH+](CCN(C)C(=O)N[C@@H]1CCCN(C)[C@H]1C)C(C)C ZINC000344297121 145838578 /nfs/dbraw/zinc/83/85/78/145838578.db2.gz RLXIWGYVHNOOHZ-JKSUJKDBSA-N 1 3 312.502 2.229 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000346289556 146054869 /nfs/dbraw/zinc/05/48/69/146054869.db2.gz QEQUDCZHMPGBKM-BGTYHANMSA-N 1 3 315.461 2.456 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)N(CC)CC ZINC000346295418 146055761 /nfs/dbraw/zinc/05/57/61/146055761.db2.gz CIEQUASRMXKWND-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO CCOCCC[N@@H+]1CC[C@@H](NCCn2nc(C)cc2C)[C@H](C)C1 ZINC000346546925 146100255 /nfs/dbraw/zinc/10/02/55/146100255.db2.gz RFGFEFNXNNGFJM-CRAIPNDOSA-N 1 3 322.497 2.227 20 0 DEADHO CCOCCC[N@H+]1CC[C@@H](NCCn2nc(C)cc2C)[C@H](C)C1 ZINC000346546925 146100257 /nfs/dbraw/zinc/10/02/57/146100257.db2.gz RFGFEFNXNNGFJM-CRAIPNDOSA-N 1 3 322.497 2.227 20 0 DEADHO [NH3+]CCCOC1CCN(Cc2ccc(N3CCCC3)nc2)CC1 ZINC000346693694 146126181 /nfs/dbraw/zinc/12/61/81/146126181.db2.gz OXQRKFWJWNDMON-UHFFFAOYSA-N 1 3 318.465 2.012 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000346786281 146142551 /nfs/dbraw/zinc/14/25/51/146142551.db2.gz KCOWSJNHJJZZKE-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO Cc1ccc(NC(=O)C2CCN(C[C@@H]3CCC[NH2+]C3)CC2)nc1 ZINC000346847507 146153114 /nfs/dbraw/zinc/15/31/14/146153114.db2.gz CTCJEJLBVPXDDR-OAHLLOKOSA-N 1 3 316.449 2.040 20 0 DEADHO C[N@@H+]1CC[C@H](NC[C@](C)(CO)c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000348296662 146250499 /nfs/dbraw/zinc/25/04/99/146250499.db2.gz XAMHXDHCMZXYQK-CADBVGFASA-N 1 3 302.462 2.399 20 0 DEADHO C[N@H+]1CC[C@H](NC[C@](C)(CO)c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000348296662 146250501 /nfs/dbraw/zinc/25/05/01/146250501.db2.gz XAMHXDHCMZXYQK-CADBVGFASA-N 1 3 302.462 2.399 20 0 DEADHO CC(C)N(C(=O)[C@H](C)N1CCC([C@H]2CC[NH2+]C2)CC1)C(C)C ZINC000357075917 147036699 /nfs/dbraw/zinc/03/66/99/147036699.db2.gz JKOQGDLLUAAMLI-RDJZCZTQSA-N 1 3 309.498 2.342 20 0 DEADHO C[C@H](C(=O)NC1CCCCC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357105965 147042454 /nfs/dbraw/zinc/04/24/54/147042454.db2.gz PGGWZRBJDXZQRO-ZBFHGGJFSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@@H](C(=O)NC1CCN([C@H](C)c2ccccc2)CC1)C1C[NH2+]C1 ZINC000357235403 147069230 /nfs/dbraw/zinc/06/92/30/147069230.db2.gz CYNKLZIJNSDNCA-HUUCEWRRSA-N 1 3 315.461 2.184 20 0 DEADHO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC[C@H]1NCCc2ccccc21 ZINC000357248634 147072863 /nfs/dbraw/zinc/07/28/63/147072863.db2.gz RJIGLCAGLZGRRK-RCCFBDPRSA-N 1 3 315.461 2.287 20 0 DEADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCOc1ccc(C(F)(F)F)cn1 ZINC000358299331 147108752 /nfs/dbraw/zinc/10/87/52/147108752.db2.gz NUVFCNFBTXFGHT-DGCLKSJQSA-N 1 3 317.355 2.409 20 0 DEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCOc1ccc(C(F)(F)F)cn1 ZINC000358299331 147108754 /nfs/dbraw/zinc/10/87/54/147108754.db2.gz NUVFCNFBTXFGHT-DGCLKSJQSA-N 1 3 317.355 2.409 20 0 DEADHO C[C@H](c1ccccc1)N(C)C(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358520474 147149120 /nfs/dbraw/zinc/14/91/20/147149120.db2.gz VALRATOVYZQWDS-MRXNPFEDSA-N 1 3 315.461 2.282 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000358675115 147179406 /nfs/dbraw/zinc/17/94/06/147179406.db2.gz BJIROKZHKVUVQW-ATLSCFEFSA-N 1 3 315.461 2.326 20 0 DEADHO C[C@H](C(=O)N1CCC2(CC[NH2+]CC2)CC1)[C@@H](N)c1ccccc1 ZINC000358886717 147224483 /nfs/dbraw/zinc/22/44/83/147224483.db2.gz MLXAGGFXZPFBLY-DOTOQJQBSA-N 1 3 315.461 2.315 20 0 DEADHO COC[C@H](CC(C)C)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000359209778 147282353 /nfs/dbraw/zinc/28/23/53/147282353.db2.gz BBNHBFKIKGFKTB-OALUTQOASA-N 1 3 320.477 2.404 20 0 DEADHO CN(C)CCOc1cc(C[NH2+][C@@H]2CCC23CCOCC3)ccn1 ZINC000367092302 147712723 /nfs/dbraw/zinc/71/27/23/147712723.db2.gz DSTYDKGMMLRIHH-MRXNPFEDSA-N 1 3 319.449 2.071 20 0 DEADHO COc1ccc(CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)c(C)c1 ZINC000565647337 292175137 /nfs/dbraw/zinc/17/51/37/292175137.db2.gz XMAFAFRCJCZFQG-KRWDZBQOSA-N 1 3 305.422 2.193 20 0 DEADHO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)N1CCC[C@@H](C[NH3+])C1 ZINC000565716897 292177355 /nfs/dbraw/zinc/17/73/55/292177355.db2.gz HZGBTJANJYZWPA-QWRGUYRKSA-N 1 3 313.804 2.477 20 0 DEADHO Cn1cc(CN2CCC(C[NH+](C)C)CC2)c(-c2cccnc2)n1 ZINC000371392319 148098051 /nfs/dbraw/zinc/09/80/51/148098051.db2.gz MKAKEWLPZHFTKO-UHFFFAOYSA-N 1 3 313.449 2.256 20 0 DEADHO CC[NH+]1CCC(CNC(=O)N(C)[C@@H](C)C2CCN(C)CC2)CC1 ZINC000565862026 292187230 /nfs/dbraw/zinc/18/72/30/292187230.db2.gz SBNLHBOQISASHQ-HNNXBMFYSA-N 1 3 324.513 2.090 20 0 DEADHO Fc1cccnc1N1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000566089214 292204019 /nfs/dbraw/zinc/20/40/19/292204019.db2.gz GZHAZQHFZZHORW-XJNFMUPTSA-N 1 3 318.440 2.310 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000073665874 401720012 /nfs/dbraw/zinc/72/00/12/401720012.db2.gz RMCVBQWIABCUAV-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000073665874 401720014 /nfs/dbraw/zinc/72/00/14/401720014.db2.gz RMCVBQWIABCUAV-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)NC[C@H]2CCCCN2CC)CC1 ZINC000111847958 401725845 /nfs/dbraw/zinc/72/58/45/401725845.db2.gz SXFWABBNFBWKKO-QGZVFWFLSA-N 1 3 324.513 2.425 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N(C)C ZINC000126785406 401707904 /nfs/dbraw/zinc/70/79/04/401707904.db2.gz JUDGKIPEFNULMB-PVAVHDDUSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)N(C)C ZINC000126785406 401707906 /nfs/dbraw/zinc/70/79/06/401707906.db2.gz JUDGKIPEFNULMB-PVAVHDDUSA-N 1 3 307.482 2.048 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000111445452 401716182 /nfs/dbraw/zinc/71/61/82/401716182.db2.gz FTBIDQNJWWGWCD-OAHLLOKOSA-N 1 3 324.513 2.469 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H]2C2CCC2)CC1 ZINC000114456436 401800288 /nfs/dbraw/zinc/80/02/88/401800288.db2.gz UYXYHSZAOIAZIF-KRWDZBQOSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000129245378 401800646 /nfs/dbraw/zinc/80/06/46/401800646.db2.gz HKPRLEWIAUVEQY-HZPDHXFCSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000129245378 401800648 /nfs/dbraw/zinc/80/06/48/401800648.db2.gz HKPRLEWIAUVEQY-HZPDHXFCSA-N 1 3 324.513 2.136 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000075956287 401774558 /nfs/dbraw/zinc/77/45/58/401774558.db2.gz DPHANNLDIQVZLR-MRXNPFEDSA-N 1 3 304.438 2.306 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CC[C@H](CN(C)C)C2)c1C ZINC000113516354 401781245 /nfs/dbraw/zinc/78/12/45/401781245.db2.gz QVTDYBRFVFCVIL-QZTJIDSGSA-N 1 3 320.477 2.235 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CC[C@H](CN(C)C)C2)c1C ZINC000113516354 401781248 /nfs/dbraw/zinc/78/12/48/401781248.db2.gz QVTDYBRFVFCVIL-QZTJIDSGSA-N 1 3 320.477 2.235 20 0 DEADHO C[N@H+](CCN1CCCC1=O)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000076109847 401783493 /nfs/dbraw/zinc/78/34/93/401783493.db2.gz JPJLLGPUHODHSH-SFHVURJKSA-N 1 3 315.461 2.063 20 0 DEADHO C[N@@H+](CCN1CCCC1=O)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000076109847 401783494 /nfs/dbraw/zinc/78/34/94/401783494.db2.gz JPJLLGPUHODHSH-SFHVURJKSA-N 1 3 315.461 2.063 20 0 DEADHO CC[C@]1(C(=O)NCCCN(C)Cc2ccccc2)CCC[NH2+]1 ZINC000128699064 401788302 /nfs/dbraw/zinc/78/83/02/401788302.db2.gz CYDXSSGVMAXHMB-GOSISDBHSA-N 1 3 303.450 2.157 20 0 DEADHO FC(F)(F)CN1CCC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000130151340 401820645 /nfs/dbraw/zinc/82/06/45/401820645.db2.gz GGCFNUGGJVEIFQ-UONOGXRCSA-N 1 3 305.388 2.230 20 0 DEADHO FC(F)(F)CN1CCC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000130151340 401820646 /nfs/dbraw/zinc/82/06/46/401820646.db2.gz GGCFNUGGJVEIFQ-UONOGXRCSA-N 1 3 305.388 2.230 20 0 DEADHO FC(F)(F)CN1CCC([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000130151340 401820648 /nfs/dbraw/zinc/82/06/48/401820648.db2.gz GGCFNUGGJVEIFQ-UONOGXRCSA-N 1 3 305.388 2.230 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)C[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000130688029 401836985 /nfs/dbraw/zinc/83/69/85/401836985.db2.gz SHZTZWBRMMBCON-BPQIPLTHSA-N 1 3 315.461 2.155 20 0 DEADHO CC(C)[NH+](CCNC(=O)N[C@@H](C)CN1CCCCC1)C(C)C ZINC000078435053 401851020 /nfs/dbraw/zinc/85/10/20/401851020.db2.gz DQECOQSEQJWMQX-INIZCTEOSA-N 1 3 312.502 2.279 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000085362879 401914289 /nfs/dbraw/zinc/91/42/89/401914289.db2.gz STYQYDNECWXTKE-HUUCEWRRSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC000137482300 401983908 /nfs/dbraw/zinc/98/39/08/401983908.db2.gz MNKNUHYNNUCZKL-YJBOKZPZSA-N 1 3 315.461 2.107 20 0 DEADHO COc1cc([C@H](C)N[C@H]2CC[N@H+](C)C[C@@H]2C)ccc1OCCO ZINC000151669111 402049599 /nfs/dbraw/zinc/04/95/99/402049599.db2.gz RMDZEJLODIXQSP-DZKIICNBSA-N 1 3 322.449 2.057 20 0 DEADHO COc1cc([C@H](C)N[C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1OCCO ZINC000151669111 402049602 /nfs/dbraw/zinc/04/96/02/402049602.db2.gz RMDZEJLODIXQSP-DZKIICNBSA-N 1 3 322.449 2.057 20 0 DEADHO CCN(CC)CC(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000063666648 402114063 /nfs/dbraw/zinc/11/40/63/402114063.db2.gz YEZDUKLQKUOEAN-UHFFFAOYSA-N 1 3 305.466 2.486 20 0 DEADHO COc1ccccc1[C@H](C[NH2+][C@H]1CCN(C)C[C@@H]1C)N(C)C ZINC000153300576 402137536 /nfs/dbraw/zinc/13/75/36/402137536.db2.gz JIAXVOOGJRSUGL-XIRDDKMYSA-N 1 3 305.466 2.228 20 0 DEADHO COc1ccccc1[C@H](CN[C@H]1CC[N@H+](C)C[C@@H]1C)N(C)C ZINC000153300576 402137537 /nfs/dbraw/zinc/13/75/37/402137537.db2.gz JIAXVOOGJRSUGL-XIRDDKMYSA-N 1 3 305.466 2.228 20 0 DEADHO COc1ccccc1[C@H](CN[C@H]1CC[N@@H+](C)C[C@@H]1C)N(C)C ZINC000153300576 402137540 /nfs/dbraw/zinc/13/75/40/402137540.db2.gz JIAXVOOGJRSUGL-XIRDDKMYSA-N 1 3 305.466 2.228 20 0 DEADHO Cc1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)cn1 ZINC000153970135 402184238 /nfs/dbraw/zinc/18/42/38/402184238.db2.gz VIJRQSLFRFFMIJ-UHFFFAOYSA-N 1 3 303.450 2.467 20 0 DEADHO CCCC[C@@H](N)C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000154576964 402219559 /nfs/dbraw/zinc/21/95/59/402219559.db2.gz VYOKWLMMQNZNNU-MRXNPFEDSA-N 1 3 307.438 2.473 20 0 DEADHO CC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000107886928 402242324 /nfs/dbraw/zinc/24/23/24/402242324.db2.gz TTYZUDPRFUUBSD-KRWDZBQOSA-N 1 3 315.461 2.354 20 0 DEADHO CC[N@H+]1CC[C@@H](CNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000107886928 402242328 /nfs/dbraw/zinc/24/23/28/402242328.db2.gz TTYZUDPRFUUBSD-KRWDZBQOSA-N 1 3 315.461 2.354 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000157579928 402296419 /nfs/dbraw/zinc/29/64/19/402296419.db2.gz SSNFFPRVYMBANE-CVEARBPZSA-N 1 3 312.502 2.088 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000157579928 402296421 /nfs/dbraw/zinc/29/64/21/402296421.db2.gz SSNFFPRVYMBANE-CVEARBPZSA-N 1 3 312.502 2.088 20 0 DEADHO CCOC[C@@H]1CCN(CC(C)C[N@@H+]2CC[C@H](COCC)C2)C1 ZINC000176307570 402298564 /nfs/dbraw/zinc/29/85/64/402298564.db2.gz GSZHNLNXQJAZHA-AYHJJNSGSA-N 1 3 312.498 2.339 20 0 DEADHO CCOC[C@@H]1CCN(CC(C)C[N@H+]2CC[C@H](COCC)C2)C1 ZINC000176307570 402298566 /nfs/dbraw/zinc/29/85/66/402298566.db2.gz GSZHNLNXQJAZHA-AYHJJNSGSA-N 1 3 312.498 2.339 20 0 DEADHO CCOC[C@@H]1CC[N@@H+](CC(C)CN2CC[C@H](COCC)C2)C1 ZINC000176307570 402298568 /nfs/dbraw/zinc/29/85/68/402298568.db2.gz GSZHNLNXQJAZHA-AYHJJNSGSA-N 1 3 312.498 2.339 20 0 DEADHO CCOC[C@@H]1CC[N@H+](CC(C)CN2CC[C@H](COCC)C2)C1 ZINC000176307570 402298570 /nfs/dbraw/zinc/29/85/70/402298570.db2.gz GSZHNLNXQJAZHA-AYHJJNSGSA-N 1 3 312.498 2.339 20 0 DEADHO C[C@@H](C(=O)N(C)C)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158901866 402313681 /nfs/dbraw/zinc/31/36/81/402313681.db2.gz OXMSRYDMQLDKPZ-CVEARBPZSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H](C(=O)N(C)C)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000158901866 402313683 /nfs/dbraw/zinc/31/36/83/402313683.db2.gz OXMSRYDMQLDKPZ-CVEARBPZSA-N 1 3 309.498 2.440 20 0 DEADHO C[NH+](C)CCOCCNCc1csc(Br)c1 ZINC000231676393 402354781 /nfs/dbraw/zinc/35/47/81/402354781.db2.gz UXDWRJNFCNHMGL-UHFFFAOYSA-N 1 3 307.257 2.178 20 0 DEADHO CC(C)C[C@H](N)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000236646134 402370973 /nfs/dbraw/zinc/37/09/73/402370973.db2.gz WSHVHCTZWNROQX-ROUUACIJSA-N 1 3 317.477 2.340 20 0 DEADHO CC(C)C[C@H](N)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000236646134 402370977 /nfs/dbraw/zinc/37/09/77/402370977.db2.gz WSHVHCTZWNROQX-ROUUACIJSA-N 1 3 317.477 2.340 20 0 DEADHO CC(C)C[C@@H](C[NH3+])NC(=O)c1cccc(CN2CCCC2)c1 ZINC000236665059 402372209 /nfs/dbraw/zinc/37/22/09/402372209.db2.gz ZITWEKYGGITNDU-KRWDZBQOSA-N 1 3 303.450 2.386 20 0 DEADHO CC(C)[C@@H](CNC(=O)C(C)(C)C[NH3+])N1CCc2ccccc2C1 ZINC000236677633 402373478 /nfs/dbraw/zinc/37/34/78/402373478.db2.gz AZBTZWXMBQZCTF-QGZVFWFLSA-N 1 3 317.477 2.170 20 0 DEADHO CC1CCN([C@@H](CNC(=O)C(C)(C)[NH3+])c2cccs2)CC1 ZINC000236720087 402378025 /nfs/dbraw/zinc/37/80/25/402378025.db2.gz BSOITPFUZMAWLJ-ZDUSSCGKSA-N 1 3 309.479 2.375 20 0 DEADHO CC1CCN([C@H](CNC(=O)C(C)(C)[NH3+])c2cccs2)CC1 ZINC000236726181 402378477 /nfs/dbraw/zinc/37/84/77/402378477.db2.gz BSOITPFUZMAWLJ-CYBMUJFWSA-N 1 3 309.479 2.375 20 0 DEADHO CN(CCN(C)C1CC1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000185141364 402327822 /nfs/dbraw/zinc/32/78/22/402327822.db2.gz QSHUEQTWGQJDOP-UHFFFAOYSA-N 1 3 324.513 2.377 20 0 DEADHO CN(CCN(C)C1CC1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000185141364 402327825 /nfs/dbraw/zinc/32/78/25/402327825.db2.gz QSHUEQTWGQJDOP-UHFFFAOYSA-N 1 3 324.513 2.377 20 0 DEADHO CC(C)O[C@@H]1C[C@@H]([NH2+]C2CCN(CCN(C)C)CC2)C1(C)C ZINC000185195719 402332887 /nfs/dbraw/zinc/33/28/87/402332887.db2.gz VVGTZARMZPTAFP-IAGOWNOFSA-N 1 3 311.514 2.194 20 0 DEADHO C[N@H+](CCNC(=O)C[C@@H](N)c1ccccc1)C1CCCCC1 ZINC000237143047 402397049 /nfs/dbraw/zinc/39/70/49/402397049.db2.gz URRUZIKGNOWIEF-QGZVFWFLSA-N 1 3 303.450 2.457 20 0 DEADHO C[N@@H+](CCNC(=O)C[C@@H](N)c1ccccc1)C1CCCCC1 ZINC000237143047 402397052 /nfs/dbraw/zinc/39/70/52/402397052.db2.gz URRUZIKGNOWIEF-QGZVFWFLSA-N 1 3 303.450 2.457 20 0 DEADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(N)CCCC1 ZINC000237232540 402400691 /nfs/dbraw/zinc/40/06/91/402400691.db2.gz XDHRKBSECBDNOJ-KRWDZBQOSA-N 1 3 315.461 2.238 20 0 DEADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1(N)CCCC1 ZINC000237232540 402400694 /nfs/dbraw/zinc/40/06/94/402400694.db2.gz XDHRKBSECBDNOJ-KRWDZBQOSA-N 1 3 315.461 2.238 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000237879107 402424327 /nfs/dbraw/zinc/42/43/27/402424327.db2.gz NLDZOCFRWNSNPM-DLBZAZTESA-N 1 3 301.434 2.000 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc3c(c2)CCO3)CC1 ZINC000178003264 402451889 /nfs/dbraw/zinc/45/18/89/402451889.db2.gz UKGYRVDFYDSVRB-MRXNPFEDSA-N 1 3 317.477 2.300 20 0 DEADHO CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000237038801 402392178 /nfs/dbraw/zinc/39/21/78/402392178.db2.gz QDHCWMXNJJLVBZ-GUTXKFCHSA-N 1 3 309.479 2.375 20 0 DEADHO COC[C@@H]([NH2+]Cc1cccc(CN(C)C)c1)C1CCOCC1 ZINC000187728973 402510107 /nfs/dbraw/zinc/51/01/07/402510107.db2.gz URVFMBHWUTWYAI-GOSISDBHSA-N 1 3 306.450 2.279 20 0 DEADHO C[C@]1(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC[NH2+]C1 ZINC000163620638 402453819 /nfs/dbraw/zinc/45/38/19/402453819.db2.gz KQWARAFUKVXYLI-CJNGLKHVSA-N 1 3 307.463 2.001 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCNC(=O)c1ccccc1Cl ZINC000178170175 402467423 /nfs/dbraw/zinc/46/74/23/402467423.db2.gz GVYBTZRQLQMRQX-IOASZLSFSA-N 1 3 323.868 2.388 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCNC(=O)c1ccccc1Cl ZINC000178170175 402467426 /nfs/dbraw/zinc/46/74/26/402467426.db2.gz GVYBTZRQLQMRQX-IOASZLSFSA-N 1 3 323.868 2.388 20 0 DEADHO C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)CN1CCCC1 ZINC000165336515 402475397 /nfs/dbraw/zinc/47/53/97/402475397.db2.gz CRRPIGNBEXJHAI-GJZGRUSLSA-N 1 3 314.437 2.045 20 0 DEADHO CN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000165492131 402476839 /nfs/dbraw/zinc/47/68/39/402476839.db2.gz BQUDBAGSEZVZMP-FGTMMUONSA-N 1 3 315.461 2.237 20 0 DEADHO O=C(C[NH2+]CC1CC1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000166205243 402482298 /nfs/dbraw/zinc/48/22/98/402482298.db2.gz GIRBAUJGTBDDHB-HNNXBMFYSA-N 1 3 321.490 2.076 20 0 DEADHO CCN1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000245886753 402494635 /nfs/dbraw/zinc/49/46/35/402494635.db2.gz OWOXIVIXZFYJMA-ILXRZTDVSA-N 1 3 311.470 2.364 20 0 DEADHO CC[N@@H+]1CC[C@H](CN[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000245886753 402494637 /nfs/dbraw/zinc/49/46/37/402494637.db2.gz OWOXIVIXZFYJMA-ILXRZTDVSA-N 1 3 311.470 2.364 20 0 DEADHO CC[N@H+]1CC[C@H](CN[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000245886753 402494641 /nfs/dbraw/zinc/49/46/41/402494641.db2.gz OWOXIVIXZFYJMA-ILXRZTDVSA-N 1 3 311.470 2.364 20 0 DEADHO C[NH2+]C[C@H](C)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000168512051 402496686 /nfs/dbraw/zinc/49/66/86/402496686.db2.gz PYCBZMHPKSWODH-JZXOWHBKSA-N 1 3 317.477 2.353 20 0 DEADHO C[C@@H]([NH3+])[C@@H]1CCN(CCCc2nc(-c3cccs3)no2)C1 ZINC000168680065 402497902 /nfs/dbraw/zinc/49/79/02/402497902.db2.gz YJFRPAFKEAXFBV-VXGBXAGGSA-N 1 3 306.435 2.400 20 0 DEADHO C[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc2c(c1)CCO2 ZINC000178521237 402507248 /nfs/dbraw/zinc/50/72/48/402507248.db2.gz HGDGAGDOUDTODW-CQSZACIVSA-N 1 3 304.434 2.119 20 0 DEADHO C[C@@H](C(=O)NC1CC[NH+](CC2CC2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000171262482 402572169 /nfs/dbraw/zinc/57/21/69/402572169.db2.gz UMNFRLJOHGBVHD-ZNMIVQPWSA-N 1 3 307.482 2.238 20 0 DEADHO CC(C)(C)[C@H](N)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000178659754 402523001 /nfs/dbraw/zinc/52/30/01/402523001.db2.gz GKZHUUZZQMQMIP-QGZVFWFLSA-N 1 3 317.477 2.388 20 0 DEADHO CC(C)COC[C@H](O)CN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248566304 402596235 /nfs/dbraw/zinc/59/62/35/402596235.db2.gz KVOHDQCEFXTVIC-SOLBZPMBSA-N 1 3 312.498 2.263 20 0 DEADHO CC(C)COC[C@H](O)CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248566304 402596239 /nfs/dbraw/zinc/59/62/39/402596239.db2.gz KVOHDQCEFXTVIC-SOLBZPMBSA-N 1 3 312.498 2.263 20 0 DEADHO CC(C)COC[C@H](O)C[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000248566304 402596242 /nfs/dbraw/zinc/59/62/42/402596242.db2.gz KVOHDQCEFXTVIC-SOLBZPMBSA-N 1 3 312.498 2.263 20 0 DEADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](C)CN1CCCCC1 ZINC000190123830 402577747 /nfs/dbraw/zinc/57/77/47/402577747.db2.gz FFMWPNLXNMTZBI-QGZVFWFLSA-N 1 3 324.513 2.378 20 0 DEADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000566438635 292240469 /nfs/dbraw/zinc/24/04/69/292240469.db2.gz RBXCQJVNBXFXHF-RDJZCZTQSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000566438635 292240471 /nfs/dbraw/zinc/24/04/71/292240471.db2.gz RBXCQJVNBXFXHF-RDJZCZTQSA-N 1 3 315.461 2.107 20 0 DEADHO CCO[C@H]1C[C@@H]([NH2+]CCCN2CCCN(C)CC2)C12CCCC2 ZINC000181705468 402654463 /nfs/dbraw/zinc/65/44/63/402654463.db2.gz AYVLZRJOXBYEMT-MSOLQXFVSA-N 1 3 323.525 2.341 20 0 DEADHO CN(CCC(=O)Nc1ccc(F)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000172583462 402664342 /nfs/dbraw/zinc/66/43/42/402664342.db2.gz LNWGODUUJLNSDG-AWEZNQCLSA-N 1 3 307.413 2.428 20 0 DEADHO CN(CCC(=O)Nc1ccc(F)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000172583462 402664343 /nfs/dbraw/zinc/66/43/43/402664343.db2.gz LNWGODUUJLNSDG-AWEZNQCLSA-N 1 3 307.413 2.428 20 0 DEADHO CC(C)[NH+](CCNC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21)C(C)C ZINC000182190263 402670981 /nfs/dbraw/zinc/67/09/81/402670981.db2.gz RIKRSORHOCVFQF-IRXDYDNUSA-N 1 3 324.513 2.231 20 0 DEADHO Cc1ccc([C@H](C)NCC2(N3CCOCC3)CC[NH+](C)CC2)o1 ZINC000414191951 292246626 /nfs/dbraw/zinc/24/66/26/292246626.db2.gz LQPAWSDDJJYGGK-INIZCTEOSA-N 1 3 321.465 2.035 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H](C)N2CCCCCC2)C1 ZINC000174757131 402755758 /nfs/dbraw/zinc/75/57/58/402755758.db2.gz LFCNQVHGOWAYLR-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262364641 402725029 /nfs/dbraw/zinc/72/50/29/402725029.db2.gz KVVFMQAXPSRRTQ-UIBIWLFHSA-N 1 3 307.482 2.145 20 0 DEADHO CCC[N@H+](CC)CCNC(=O)NCc1cccc(CN(C)C)c1 ZINC000175302100 402795444 /nfs/dbraw/zinc/79/54/44/402795444.db2.gz ANKCGQKQZUXQCR-UHFFFAOYSA-N 1 3 320.481 2.279 20 0 DEADHO CCC[N@@H+](CC)CCNC(=O)NCc1cccc(CN(C)C)c1 ZINC000175302100 402795446 /nfs/dbraw/zinc/79/54/46/402795446.db2.gz ANKCGQKQZUXQCR-UHFFFAOYSA-N 1 3 320.481 2.279 20 0 DEADHO CN(C)Cc1ccc(C(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000195482179 402846963 /nfs/dbraw/zinc/84/69/63/402846963.db2.gz IQNOJPAZJDCCJT-UHFFFAOYSA-N 1 3 315.461 2.352 20 0 DEADHO C[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)c1ccnn1C ZINC000278399385 402864180 /nfs/dbraw/zinc/86/41/80/402864180.db2.gz FMUGIARGQHDILN-OAHLLOKOSA-N 1 3 316.449 2.254 20 0 DEADHO CN(C)C[C@@H]1CC[N@H+](CCc2nc(-c3ccccc3)no2)C1 ZINC000265819968 402953039 /nfs/dbraw/zinc/95/30/39/402953039.db2.gz HUHJUHOKXAXHSZ-AWEZNQCLSA-N 1 3 300.406 2.163 20 0 DEADHO CN(C)C[C@@H]1CC[N@@H+](CCc2nc(-c3ccccc3)no2)C1 ZINC000265819968 402953041 /nfs/dbraw/zinc/95/30/41/402953041.db2.gz HUHJUHOKXAXHSZ-AWEZNQCLSA-N 1 3 300.406 2.163 20 0 DEADHO CN(C)Cc1ccc(C(=O)N(C)CCC[NH+]2CCCC2)cc1 ZINC000281739718 403087157 /nfs/dbraw/zinc/08/71/57/403087157.db2.gz ORXAAAYRWBIRKC-UHFFFAOYSA-N 1 3 303.450 2.306 20 0 DEADHO C[C@H](CC(N)=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000267275269 403031741 /nfs/dbraw/zinc/03/17/41/403031741.db2.gz TYLHRTRSTANTFR-CABCVRRESA-N 1 3 303.450 2.415 20 0 DEADHO C[C@H](CC(N)=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000267275269 403031744 /nfs/dbraw/zinc/03/17/44/403031744.db2.gz TYLHRTRSTANTFR-CABCVRRESA-N 1 3 303.450 2.415 20 0 DEADHO C[C@@H]1C[C@H](NCCC(=O)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000268808383 403115910 /nfs/dbraw/zinc/11/59/10/403115910.db2.gz LLWZLPCMZOSVLD-NVXWUHKLSA-N 1 3 303.450 2.107 20 0 DEADHO C[C@@H]1C[C@H](NCCC(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000268808383 403115912 /nfs/dbraw/zinc/11/59/12/403115912.db2.gz LLWZLPCMZOSVLD-NVXWUHKLSA-N 1 3 303.450 2.107 20 0 DEADHO CC[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(OC)c(OC)c1 ZINC000268951426 403121456 /nfs/dbraw/zinc/12/14/56/403121456.db2.gz CKBQUXSQKXVUMK-OAHLLOKOSA-N 1 3 322.449 2.201 20 0 DEADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc2c(c1)COC2 ZINC000282305848 403141639 /nfs/dbraw/zinc/14/16/39/403141639.db2.gz MRFTVNUPYWTORQ-HNNXBMFYSA-N 1 3 317.477 2.393 20 0 DEADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000277398519 403213304 /nfs/dbraw/zinc/21/33/04/403213304.db2.gz DQUSMFZVTAFHAW-YJBOKZPZSA-N 1 3 315.461 2.013 20 0 DEADHO CC(C)N1CCN(CCC[N@H+](C)[C@H](CO)c2ccccc2)CC1 ZINC000283322218 403189560 /nfs/dbraw/zinc/18/95/60/403189560.db2.gz OSPMQMPWHKUCRZ-LJQANCHMSA-N 1 3 319.493 2.068 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+](C)[C@H](CO)c2ccccc2)CC1 ZINC000283322218 403189562 /nfs/dbraw/zinc/18/95/62/403189562.db2.gz OSPMQMPWHKUCRZ-LJQANCHMSA-N 1 3 319.493 2.068 20 0 DEADHO COC1(CCN2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)CCC1 ZINC000338946223 403292472 /nfs/dbraw/zinc/29/24/72/403292472.db2.gz VPCLELJHGDTJNC-QZTJIDSGSA-N 1 3 323.525 2.436 20 0 DEADHO CN1CCC[C@H]1CNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000342712994 403317607 /nfs/dbraw/zinc/31/76/07/403317607.db2.gz BGAWYIURVWQZAX-KRWDZBQOSA-N 1 3 315.461 2.053 20 0 DEADHO CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H](N(C)C)C2)cc1)C1CC1 ZINC000342854614 403373183 /nfs/dbraw/zinc/37/31/83/403373183.db2.gz BYPZLPVIXFQMOR-GOSISDBHSA-N 1 3 315.461 2.447 20 0 DEADHO CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H](N(C)C)C2)cc1)C1CC1 ZINC000342854614 403373186 /nfs/dbraw/zinc/37/31/86/403373186.db2.gz BYPZLPVIXFQMOR-GOSISDBHSA-N 1 3 315.461 2.447 20 0 DEADHO COCCOc1ccc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000292784154 403377445 /nfs/dbraw/zinc/37/74/45/403377445.db2.gz LUUOVGMUTWEFPK-GOSISDBHSA-N 1 3 304.434 2.239 20 0 DEADHO COCCOc1ccc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000292784154 403377449 /nfs/dbraw/zinc/37/74/49/403377449.db2.gz LUUOVGMUTWEFPK-GOSISDBHSA-N 1 3 304.434 2.239 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)N1CCCN(C)CC1)CC(C)C ZINC000339625045 403397346 /nfs/dbraw/zinc/39/73/46/403397346.db2.gz FJFMWGIZFUHXKN-MRXNPFEDSA-N 1 3 312.502 2.090 20 0 DEADHO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H](N)CC(F)F)c1ccccc1 ZINC000345704623 403445421 /nfs/dbraw/zinc/44/54/21/403445421.db2.gz FESQJFPITBUMPO-AAEUAGOBSA-N 1 3 313.392 2.215 20 0 DEADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCCN1C1CCCC1 ZINC000343078947 403455650 /nfs/dbraw/zinc/45/56/50/403455650.db2.gz NUHBWNITRVQUBG-CRAIPNDOSA-N 1 3 319.493 2.384 20 0 DEADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCCN1C1CCCC1 ZINC000343078947 403455653 /nfs/dbraw/zinc/45/56/53/403455653.db2.gz NUHBWNITRVQUBG-CRAIPNDOSA-N 1 3 319.493 2.384 20 0 DEADHO C[C@@H](NC(=O)NCC[C@H](C)[NH+]1CCCCC1)C1=CCN(C)CC1 ZINC000345728568 403458032 /nfs/dbraw/zinc/45/80/32/403458032.db2.gz NXSNPSGTISVDJH-JKSUJKDBSA-N 1 3 322.497 2.201 20 0 DEADHO Cc1ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c([O-])c1 ZINC000298811079 403467504 /nfs/dbraw/zinc/46/75/04/403467504.db2.gz SQYZHVKAHWRXFO-UHFFFAOYSA-N 1 3 321.465 2.046 20 0 DEADHO C[C@H]1[C@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)CCCN1C ZINC000345765108 403475149 /nfs/dbraw/zinc/47/51/49/403475149.db2.gz YRXQFVHCNKURSL-DOTOQJQBSA-N 1 3 324.513 2.233 20 0 DEADHO N[C@@H](CC(F)F)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000345779925 403481982 /nfs/dbraw/zinc/48/19/82/403481982.db2.gz YEWKWXXLHPGKFH-AWEZNQCLSA-N 1 3 311.376 2.246 20 0 DEADHO CC(C)N1CCCN(C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000332382902 403566273 /nfs/dbraw/zinc/56/62/73/403566273.db2.gz VHZVQEHTUWKJTM-MRXNPFEDSA-N 1 3 310.486 2.020 20 0 DEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC1CCN(C)CC1 ZINC000347023344 403611810 /nfs/dbraw/zinc/61/18/10/403611810.db2.gz KCJOMKUOKGZHKE-OWCLPIDISA-N 1 3 309.498 2.201 20 0 DEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC1CCN(C)CC1 ZINC000347023344 403611813 /nfs/dbraw/zinc/61/18/13/403611813.db2.gz KCJOMKUOKGZHKE-OWCLPIDISA-N 1 3 309.498 2.201 20 0 DEADHO C[C@H]1[C@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)CCCN1C ZINC000343658995 403681378 /nfs/dbraw/zinc/68/13/78/403681378.db2.gz RXNINDFOZOEGAM-DOTOQJQBSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@H]1[C@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)CCCN1C ZINC000343658995 403681380 /nfs/dbraw/zinc/68/13/80/403681380.db2.gz RXNINDFOZOEGAM-DOTOQJQBSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@@H]1NC1CCC2(CC1)c1ccccc1NC2=O ZINC000333317197 403723067 /nfs/dbraw/zinc/72/30/67/403723067.db2.gz SZSGOPRYFCYSCH-LRVIOQCDSA-N 1 3 313.445 2.407 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@@H]2CCCN(C)[C@@H]2C)C1 ZINC000343787453 403733023 /nfs/dbraw/zinc/73/30/23/403733023.db2.gz AAGHMLHSBYEQRA-YYIAUSFCSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N[C@@H]2CCCN(C)[C@@H]2C)C1 ZINC000343787453 403733027 /nfs/dbraw/zinc/73/30/27/403733027.db2.gz AAGHMLHSBYEQRA-YYIAUSFCSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@H]1C[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CCN1C ZINC000341009083 403733864 /nfs/dbraw/zinc/73/38/64/403733864.db2.gz AKGAOCBAWBJMCS-DZGCQCFKSA-N 1 3 310.486 2.031 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)CNC3)C[C@@H]1C ZINC000347608584 403772511 /nfs/dbraw/zinc/77/25/11/403772511.db2.gz CPDCGGOTCGTPCX-GUYCJALGSA-N 1 3 301.434 2.235 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)CNC3)C[C@@H]1C ZINC000347608584 403772516 /nfs/dbraw/zinc/77/25/16/403772516.db2.gz CPDCGGOTCGTPCX-GUYCJALGSA-N 1 3 301.434 2.235 20 0 DEADHO [NH3+][C@@H](CC(=O)Nc1ccc2c(c1)CNCCO2)c1ccccc1 ZINC000295100943 403760061 /nfs/dbraw/zinc/76/00/61/403760061.db2.gz UXVNVIZCNJAKNZ-INIZCTEOSA-N 1 3 311.385 2.197 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343855111 403760547 /nfs/dbraw/zinc/76/05/47/403760547.db2.gz XTNSCJRFXALLGS-BRWVUGGUSA-N 1 3 324.513 2.423 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343855111 403760552 /nfs/dbraw/zinc/76/05/52/403760552.db2.gz XTNSCJRFXALLGS-BRWVUGGUSA-N 1 3 324.513 2.423 20 0 DEADHO CC(C)[NH+]1CCC(N(C)CCC(=O)Nc2cccnc2)CC1 ZINC000361710759 403814229 /nfs/dbraw/zinc/81/42/29/403814229.db2.gz CSMNSDITYSOKME-UHFFFAOYSA-N 1 3 304.438 2.215 20 0 DEADHO C[C@@H](c1cccnc1)[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343917121 403791436 /nfs/dbraw/zinc/79/14/36/403791436.db2.gz CMXQUGYTEWMCTB-RYRKJORJSA-N 1 3 302.466 2.100 20 0 DEADHO C[C@@H](c1cccnc1)[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343917121 403791438 /nfs/dbraw/zinc/79/14/38/403791438.db2.gz CMXQUGYTEWMCTB-RYRKJORJSA-N 1 3 302.466 2.100 20 0 DEADHO CN1CCC2(CCCN2C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000333765233 403851508 /nfs/dbraw/zinc/85/15/08/403851508.db2.gz BDUQZJCQINVDPU-INIZCTEOSA-N 1 3 322.497 2.164 20 0 DEADHO CN(C)CCN(C)CCC[N@H+](C)Cc1ccc2c(c1)CCC2 ZINC000344027036 403857637 /nfs/dbraw/zinc/85/76/37/403857637.db2.gz KRGSYFBNJOZVRT-UHFFFAOYSA-N 1 3 303.494 2.491 20 0 DEADHO CN(C)CCN(C)CCC[N@@H+](C)Cc1ccc2c(c1)CCC2 ZINC000344027036 403857639 /nfs/dbraw/zinc/85/76/39/403857639.db2.gz KRGSYFBNJOZVRT-UHFFFAOYSA-N 1 3 303.494 2.491 20 0 DEADHO [NH3+]C[C@H](NC(=O)N1CCN(C2CCCC2)CC1)C1CCCCC1 ZINC000333821933 403874225 /nfs/dbraw/zinc/87/42/25/403874225.db2.gz KZJGXRUFLYAVRU-KRWDZBQOSA-N 1 3 322.497 2.164 20 0 DEADHO C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000341283589 403884081 /nfs/dbraw/zinc/88/40/81/403884081.db2.gz YZPKWRGYSYXNAR-KXBFYZLASA-N 1 3 317.477 2.199 20 0 DEADHO O=C(NCCN1CCC2(CCCCC2)CC1)N[C@H]1CCC[NH2+]C1 ZINC000333851430 403885057 /nfs/dbraw/zinc/88/50/57/403885057.db2.gz XIPVEGUWZQIRHQ-INIZCTEOSA-N 1 3 322.497 2.084 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCN(CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000351852296 403962480 /nfs/dbraw/zinc/96/24/80/403962480.db2.gz MQSJXWXSSMBXCT-LESCRADOSA-N 1 3 315.461 2.239 20 0 DEADHO CCN1CCN(c2ccccc2C[NH+]2CCC(CO)CC2)CC1 ZINC000305731538 403922405 /nfs/dbraw/zinc/92/24/05/403922405.db2.gz MUBKOLUWICLUED-UHFFFAOYSA-N 1 3 317.477 2.033 20 0 DEADHO OC[C@H](NCc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCCO1 ZINC000411661050 403928781 /nfs/dbraw/zinc/92/87/81/403928781.db2.gz UPBPTQPDWHSVTO-RBUKOAKNSA-N 1 3 318.461 2.302 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1CNC1CCN(CC(F)F)CC1 ZINC000341366276 403933176 /nfs/dbraw/zinc/93/31/76/403933176.db2.gz QCHPEJYFNICDLN-HNNXBMFYSA-N 1 3 303.441 2.426 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1CNC1CCN(CC(F)F)CC1 ZINC000341366276 403933182 /nfs/dbraw/zinc/93/31/82/403933182.db2.gz QCHPEJYFNICDLN-HNNXBMFYSA-N 1 3 303.441 2.426 20 0 DEADHO C[C@H](NCCOCC[NH+](C)C)c1ccc2c(c1)OCCCO2 ZINC000336862452 403936461 /nfs/dbraw/zinc/93/64/61/403936461.db2.gz JJAWTRZHKMLQBL-AWEZNQCLSA-N 1 3 308.422 2.077 20 0 DEADHO C[C@H](O)CCC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000354818366 404033536 /nfs/dbraw/zinc/03/35/36/404033536.db2.gz LEECDJAQPPOSGO-GVDBMIGSSA-N 1 3 312.498 2.359 20 0 DEADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000289692488 403993628 /nfs/dbraw/zinc/99/36/28/403993628.db2.gz DZOKDLUTBOENCP-RHSMWYFYSA-N 1 3 321.440 2.104 20 0 DEADHO CC(C)COCC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000369191884 403999029 /nfs/dbraw/zinc/99/90/29/403999029.db2.gz CCPFWBUQKVQORX-IRXDYDNUSA-N 1 3 312.498 2.480 20 0 DEADHO CC(C)N1CCCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000341499701 404002458 /nfs/dbraw/zinc/00/24/58/404002458.db2.gz PHYGZTWMAJPQMD-UHFFFAOYSA-N 1 3 324.513 2.375 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000354793373 404017183 /nfs/dbraw/zinc/01/71/83/404017183.db2.gz JIPJIVQVAVOYAK-ZACQAIPSSA-N 1 3 322.497 2.177 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000354793373 404017191 /nfs/dbraw/zinc/01/71/91/404017191.db2.gz JIPJIVQVAVOYAK-ZACQAIPSSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H](CNC(=O)[C@@H]1CNCc2ccccc21)C[NH+]1CCCCC1 ZINC000321320177 404075265 /nfs/dbraw/zinc/07/52/65/404075265.db2.gz OGNWMMQQIAVYLT-MAUKXSAKSA-N 1 3 315.461 2.112 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)C2(N)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000296074386 404081650 /nfs/dbraw/zinc/08/16/50/404081650.db2.gz QAQHFFGEGICYFU-GDBMZVCRSA-N 1 3 301.434 2.037 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)C2(N)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000296074386 404081660 /nfs/dbraw/zinc/08/16/60/404081660.db2.gz QAQHFFGEGICYFU-GDBMZVCRSA-N 1 3 301.434 2.037 20 0 DEADHO C[C@@H]1C[C@@H](N(C)C(=O)C2(N)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000296086594 404087024 /nfs/dbraw/zinc/08/70/24/404087024.db2.gz QYTNVYUPFHSXSR-WBVHZDCISA-N 1 3 315.461 2.379 20 0 DEADHO C[C@@H]1C[C@@H](N(C)C(=O)C2(N)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000296086594 404087028 /nfs/dbraw/zinc/08/70/28/404087028.db2.gz QYTNVYUPFHSXSR-WBVHZDCISA-N 1 3 315.461 2.379 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000290116516 404048764 /nfs/dbraw/zinc/04/87/64/404048764.db2.gz YXZZYTPGJARQCB-YESZJQIVSA-N 1 3 303.450 2.102 20 0 DEADHO C[NH+](C)[C@H]1CCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000411992702 404050546 /nfs/dbraw/zinc/05/05/46/404050546.db2.gz ZRCHKOSQPYGXMO-SFHVURJKSA-N 1 3 315.461 2.449 20 0 DEADHO c1nnc(C2CC2)n1CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000567344001 292306810 /nfs/dbraw/zinc/30/68/10/292306810.db2.gz PDLTYOFGFOVYTH-BZUAXINKSA-N 1 3 303.454 2.056 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000344585264 404241343 /nfs/dbraw/zinc/24/13/43/404241343.db2.gz SPMRQMBJAWBBQS-UXLLHSPISA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000344729522 404337074 /nfs/dbraw/zinc/33/70/74/404337074.db2.gz MZZYLVMUDFJLDM-HRCADAONSA-N 1 3 307.482 2.192 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000344729522 404337080 /nfs/dbraw/zinc/33/70/80/404337080.db2.gz MZZYLVMUDFJLDM-HRCADAONSA-N 1 3 307.482 2.192 20 0 DEADHO C[C@H]1CCN(C)CCN1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000355514795 404346395 /nfs/dbraw/zinc/34/63/95/404346395.db2.gz VOVNOAHVWPQDNX-ZDUSSCGKSA-N 1 3 310.486 2.031 20 0 DEADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000344778334 404362457 /nfs/dbraw/zinc/36/24/57/404362457.db2.gz RJDKUALAPHRCLL-HUUCEWRRSA-N 1 3 309.498 2.486 20 0 DEADHO CN1CCN(CC2(C)CC[NH+](C[C@H]3CCC(C)(C)O3)CC2)CC1 ZINC000364359777 404367065 /nfs/dbraw/zinc/36/70/65/404367065.db2.gz UOBCFLJAECPSEA-QGZVFWFLSA-N 1 3 323.525 2.294 20 0 DEADHO [NH3+][C@@H]1CCC[C@H]2CN(CCC(=O)N3CCc4ccccc43)C[C@@H]21 ZINC000342103273 404368859 /nfs/dbraw/zinc/36/88/59/404368859.db2.gz MNJUGRVQUAWXIB-YESZJQIVSA-N 1 3 313.445 2.025 20 0 DEADHO C[C@@H]1CN(CCC2CC[NH+](CCn3cccn3)CC2)C[C@@H](C)O1 ZINC000370205815 404368887 /nfs/dbraw/zinc/36/88/87/404368887.db2.gz FXAUQGHAUCOKKO-IAGOWNOFSA-N 1 3 320.481 2.094 20 0 DEADHO C[N@@H+]1CCCC[C@H]1CCN1CC[C@]2(C1)c1ccccc1NC2=O ZINC000364433532 404392139 /nfs/dbraw/zinc/39/21/39/404392139.db2.gz HAXFLBHZPXEDHX-KXBFYZLASA-N 1 3 313.445 2.457 20 0 DEADHO C[N@H+]1CCCC[C@H]1CCN1CC[C@]2(C1)c1ccccc1NC2=O ZINC000364433532 404392143 /nfs/dbraw/zinc/39/21/43/404392143.db2.gz HAXFLBHZPXEDHX-KXBFYZLASA-N 1 3 313.445 2.457 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000350521039 404413124 /nfs/dbraw/zinc/41/31/24/404413124.db2.gz VUCWODMBPNCGNA-BRWVUGGUSA-N 1 3 322.497 2.129 20 0 DEADHO CCC(CC)[C@@H](CNC(=O)NCCN(C)C1CC1)[NH+]1CCCC1 ZINC000352664327 404526364 /nfs/dbraw/zinc/52/63/64/404526364.db2.gz MIZKNKNVFJRBQA-QGZVFWFLSA-N 1 3 324.513 2.280 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000351069042 404508781 /nfs/dbraw/zinc/50/87/81/404508781.db2.gz ZTDCJZQUJAPICG-IRXDYDNUSA-N 1 3 322.497 2.131 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000351069042 404508786 /nfs/dbraw/zinc/50/87/86/404508786.db2.gz ZTDCJZQUJAPICG-IRXDYDNUSA-N 1 3 322.497 2.131 20 0 DEADHO COc1cc2c(c(CNCC3=CC[N@H+](C)CC3)c1)O[C@@H](C)C2 ZINC000345168011 404589540 /nfs/dbraw/zinc/58/95/40/404589540.db2.gz OSOYJGGSHFUPSV-ZDUSSCGKSA-N 1 3 302.418 2.370 20 0 DEADHO COc1cc2c(c(CNCC3=CC[N@@H+](C)CC3)c1)O[C@@H](C)C2 ZINC000345168011 404589542 /nfs/dbraw/zinc/58/95/42/404589542.db2.gz OSOYJGGSHFUPSV-ZDUSSCGKSA-N 1 3 302.418 2.370 20 0 DEADHO CC(C)CC[NH+]1CCC(CNCc2cnc(N(C)C)n2C)CC1 ZINC000414361271 404593116 /nfs/dbraw/zinc/59/31/16/404593116.db2.gz HXBLMMDYPMKAJZ-UHFFFAOYSA-N 1 3 321.513 2.334 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H](c1ccccc1)N1CCCC1 ZINC000567490056 292317865 /nfs/dbraw/zinc/31/78/65/292317865.db2.gz GVGBYDUFMZWHAP-KANFNMMFSA-N 1 3 317.477 2.165 20 0 DEADHO NC[C@H]1C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)CC12CCOCC2 ZINC000414772639 404729563 /nfs/dbraw/zinc/72/95/63/404729563.db2.gz CHYWFKLJTBBIQL-BZSNNMDCSA-N 1 3 300.446 2.477 20 0 DEADHO NC[C@H]1C[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)CC12CCOCC2 ZINC000414772639 404729566 /nfs/dbraw/zinc/72/95/66/404729566.db2.gz CHYWFKLJTBBIQL-BZSNNMDCSA-N 1 3 300.446 2.477 20 0 DEADHO COc1ccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1C ZINC000414790633 404737066 /nfs/dbraw/zinc/73/70/66/404737066.db2.gz PWGRYSCTQWFMRR-AEFFLSMTSA-N 1 3 304.434 2.332 20 0 DEADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC(C)(C)N ZINC000414799239 404738390 /nfs/dbraw/zinc/73/83/90/404738390.db2.gz GGRNSGPYERJYEU-SNVBAGLBSA-N 1 3 313.829 2.393 20 0 DEADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](C)CN(C)C)C1 ZINC000353105889 404743725 /nfs/dbraw/zinc/74/37/25/404743725.db2.gz AGNOSVLYUIINSW-GJZGRUSLSA-N 1 3 312.502 2.136 20 0 DEADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](C)CN(C)C)C1 ZINC000353105889 404743729 /nfs/dbraw/zinc/74/37/29/404743729.db2.gz AGNOSVLYUIINSW-GJZGRUSLSA-N 1 3 312.502 2.136 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)NCC[N@H+](C)C1CC1)c1ccco1 ZINC000353111019 404744861 /nfs/dbraw/zinc/74/48/61/404744861.db2.gz JEYWMPZVSZMWCE-ZFWWWQNUSA-N 1 3 322.453 2.102 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)NCC[N@@H+](C)C1CC1)c1ccco1 ZINC000353111019 404744864 /nfs/dbraw/zinc/74/48/64/404744864.db2.gz JEYWMPZVSZMWCE-ZFWWWQNUSA-N 1 3 322.453 2.102 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)N[C@H](C)CN(C)C ZINC000358533315 404765898 /nfs/dbraw/zinc/76/58/98/404765898.db2.gz UXCOFSGRNGLFPQ-OWCLPIDISA-N 1 3 312.502 2.136 20 0 DEADHO C[C@H]1C[C@@H](CN2CCN(CCc3ccccc3)CC2)CC[NH2+]1 ZINC000414682195 404707491 /nfs/dbraw/zinc/70/74/91/404707491.db2.gz QXHHCNDXDIPXAO-HKUYNNGSSA-N 1 3 301.478 2.235 20 0 DEADHO C[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414683059 404707714 /nfs/dbraw/zinc/70/77/14/404707714.db2.gz SIPDFOZSAQTVIY-KBPBESRZSA-N 1 3 307.413 2.016 20 0 DEADHO C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414683059 404707715 /nfs/dbraw/zinc/70/77/15/404707715.db2.gz SIPDFOZSAQTVIY-KBPBESRZSA-N 1 3 307.413 2.016 20 0 DEADHO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414697193 404710688 /nfs/dbraw/zinc/71/06/88/404710688.db2.gz BROJMOSVKNOBLS-SOLBZPMBSA-N 1 3 315.461 2.062 20 0 DEADHO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414697193 404710691 /nfs/dbraw/zinc/71/06/91/404710691.db2.gz BROJMOSVKNOBLS-SOLBZPMBSA-N 1 3 315.461 2.062 20 0 DEADHO O[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)C(F)F ZINC000356882761 404716218 /nfs/dbraw/zinc/71/62/18/404716218.db2.gz VHKKRNMMAFGLSW-KLHDSHLOSA-N 1 3 310.388 2.113 20 0 DEADHO CC[C@H](Cc1ccccc1)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414718248 404716565 /nfs/dbraw/zinc/71/65/65/404716565.db2.gz ZAURLILJORMRRY-QZTJIDSGSA-N 1 3 317.477 2.137 20 0 DEADHO CC[C@H](Cc1ccccc1)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414718248 404716568 /nfs/dbraw/zinc/71/65/68/404716568.db2.gz ZAURLILJORMRRY-QZTJIDSGSA-N 1 3 317.477 2.137 20 0 DEADHO Cc1nc(CN(C)[C@@H]2CCC[N@@H+](C[C@@H](N)CC(C)C)CC2)no1 ZINC000414755398 404725044 /nfs/dbraw/zinc/72/50/44/404725044.db2.gz HLKXIOBCVKMIIQ-JKSUJKDBSA-N 1 3 323.485 2.038 20 0 DEADHO Cc1nc(CN(C)[C@@H]2CCC[N@H+](C[C@@H](N)CC(C)C)CC2)no1 ZINC000414755398 404725046 /nfs/dbraw/zinc/72/50/46/404725046.db2.gz HLKXIOBCVKMIIQ-JKSUJKDBSA-N 1 3 323.485 2.038 20 0 DEADHO Cc1nn(C)c(CNC[C@@H]2CCC[C@H]([NH3+])C2)c1Br ZINC000414991977 404783495 /nfs/dbraw/zinc/78/34/95/404783495.db2.gz BKBSAWNVOMVDPE-MNOVXSKESA-N 1 3 315.259 2.098 20 0 DEADHO CS(=O)(=O)c1ccc(CNC[C@H]2CC[C@H](C[NH3+])CC2)s1 ZINC000415027150 404789968 /nfs/dbraw/zinc/78/99/68/404789968.db2.gz VOSKTWKRRNSGSE-HAQNSBGRSA-N 1 3 316.492 2.006 20 0 DEADHO COC(=O)c1cc(CN[C@H](CCC[NH3+])c2ccccc2)c[nH]1 ZINC000415060706 404798052 /nfs/dbraw/zinc/79/80/52/404798052.db2.gz XISLBUYKWSATOY-OAHLLOKOSA-N 1 3 301.390 2.371 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]C2CCN(C3CC3)CC2)[C@@H](C)C1 ZINC000359664687 404801122 /nfs/dbraw/zinc/80/11/22/404801122.db2.gz YWQKQARDVYWPRJ-LPHOPBHVSA-N 1 3 323.525 2.340 20 0 DEADHO COc1ccccc1N1CCC(NC[C@]2(C)CC[NH2+]C2)CC1 ZINC000415076551 404802180 /nfs/dbraw/zinc/80/21/80/404802180.db2.gz CVEKTBZMKBXEEA-GOSISDBHSA-N 1 3 303.450 2.253 20 0 DEADHO CN(C)c1ccccc1CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415102256 404808551 /nfs/dbraw/zinc/80/85/51/404808551.db2.gz DGWPZYICDUTIRS-PKOBYXMFSA-N 1 3 317.477 2.471 20 0 DEADHO COc1ccc(-n2ccc(CNC3CCC(C[NH3+])CC3)n2)cc1 ZINC000415107439 404808813 /nfs/dbraw/zinc/80/88/13/404808813.db2.gz OAGNMOIZJABPCT-UHFFFAOYSA-N 1 3 314.433 2.488 20 0 DEADHO CN(CCN1CCCC1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000353372970 404816298 /nfs/dbraw/zinc/81/62/98/404816298.db2.gz QGONYGFAOBDTJN-UHFFFAOYSA-N 1 3 324.513 2.378 20 0 DEADHO CN(CCN1CCCC1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000353372970 404816299 /nfs/dbraw/zinc/81/62/99/404816299.db2.gz QGONYGFAOBDTJN-UHFFFAOYSA-N 1 3 324.513 2.378 20 0 DEADHO CCOc1cc(C[NH2+][C@@H](C)CN)ccc1OCC(F)(F)F ZINC000414948506 404773467 /nfs/dbraw/zinc/77/34/67/404773467.db2.gz XMNXUHQMQWHOBR-JTQLQIEISA-N 1 3 306.328 2.463 20 0 DEADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@]2(O)CCSC2)CC1 ZINC000358768223 404774938 /nfs/dbraw/zinc/77/49/38/404774938.db2.gz FXVDGGDUFCFBON-PVAVHDDUSA-N 1 3 312.523 2.487 20 0 DEADHO COC[C@H](NCCOCC[NH+](C)C)c1cccc(Cl)c1 ZINC000353596031 404875956 /nfs/dbraw/zinc/87/59/56/404875956.db2.gz LYAPXUNMBSHRAN-HNNXBMFYSA-N 1 3 300.830 2.195 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000415560502 404884878 /nfs/dbraw/zinc/88/48/78/404884878.db2.gz FWTVMEHFBKVAKE-INIZCTEOSA-N 1 3 318.465 2.444 20 0 DEADHO C[C@@H]1CN(C(=O)Nc2ccccc2CC[NH+](C)C)[C@@H](C)CN1 ZINC000415572787 404887469 /nfs/dbraw/zinc/88/74/69/404887469.db2.gz NOQRCEZDTAMCSG-KGLIPLIRSA-N 1 3 304.438 2.005 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000415579465 404888337 /nfs/dbraw/zinc/88/83/37/404888337.db2.gz QHBLTJJOANOOOE-KRWDZBQOSA-N 1 3 304.438 2.040 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)NC1CCC([NH3+])CC1 ZINC000415580052 404889655 /nfs/dbraw/zinc/88/96/55/404889655.db2.gz QTOJNGHFMCUMFO-UHFFFAOYSA-N 1 3 304.438 2.182 20 0 DEADHO N[C@H]1CCC[C@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000568252793 292326773 /nfs/dbraw/zinc/32/67/73/292326773.db2.gz XBFUJYDCXISJDF-QWHCGFSZSA-N 1 3 306.797 2.402 20 0 DEADHO CCN(Cc1ccc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc1)C1CC1 ZINC000423971402 404953647 /nfs/dbraw/zinc/95/36/47/404953647.db2.gz HABMBKMALQTHOV-SUMWQHHRSA-N 1 3 301.434 2.090 20 0 DEADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000416897804 404954853 /nfs/dbraw/zinc/95/48/53/404954853.db2.gz YBMPSJNDQIQYBB-PBHICJAKSA-N 1 3 318.465 2.017 20 0 DEADHO C[C@@H]1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C[C@H]1C[NH3+] ZINC000424008013 404968678 /nfs/dbraw/zinc/96/86/78/404968678.db2.gz GXLQJJOWPQPYAU-KBAYOESNSA-N 1 3 315.461 2.094 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000353697524 404926566 /nfs/dbraw/zinc/92/65/66/404926566.db2.gz FBIRIDKVVCNZMJ-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000353697524 404926572 /nfs/dbraw/zinc/92/65/72/404926572.db2.gz FBIRIDKVVCNZMJ-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO C[NH2+]C[C@H](C)CNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000416848807 404933917 /nfs/dbraw/zinc/93/39/17/404933917.db2.gz WXPHQEODYIKISF-KBPBESRZSA-N 1 3 324.494 2.040 20 0 DEADHO C[NH2+]CCC1CCN(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)CC1 ZINC000417015899 405003277 /nfs/dbraw/zinc/00/32/77/405003277.db2.gz NFVRYNBWTSQSSL-JKSUJKDBSA-N 1 3 324.513 2.138 20 0 DEADHO CCCN(CCN(C)C)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416150464 405038517 /nfs/dbraw/zinc/03/85/17/405038517.db2.gz KEJDMBZHCHNDKJ-KRWDZBQOSA-N 1 3 305.466 2.480 20 0 DEADHO C[N@H+](CCCCNC(=O)Nc1ccc2c(c1)CNC2)C1CC1 ZINC000416017294 405008179 /nfs/dbraw/zinc/00/81/79/405008179.db2.gz VOVVZGFEWDRILF-UHFFFAOYSA-N 1 3 302.422 2.286 20 0 DEADHO C[N@@H+](CCCCNC(=O)Nc1ccc2c(c1)CNC2)C1CC1 ZINC000416017294 405008183 /nfs/dbraw/zinc/00/81/83/405008183.db2.gz VOVVZGFEWDRILF-UHFFFAOYSA-N 1 3 302.422 2.286 20 0 DEADHO O=C(CC[NH2+]C1CC1)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000379657484 405027541 /nfs/dbraw/zinc/02/75/41/405027541.db2.gz SXZUCKDUNYFXOO-GOSISDBHSA-N 1 3 315.461 2.299 20 0 DEADHO CCCC[C@@H](C[NH3+])NC(=O)NCc1cccc(CN(C)C)c1 ZINC000417075598 405028012 /nfs/dbraw/zinc/02/80/12/405028012.db2.gz VMGPKIRMXQWDCJ-INIZCTEOSA-N 1 3 306.454 2.065 20 0 DEADHO CC[N@@H+]1CC[C@H](CNC(=O)C[C@H](c2ccccc2)N(C)C)C1 ZINC000416132794 405031366 /nfs/dbraw/zinc/03/13/66/405031366.db2.gz LZNQWNREOSUPFB-NVXWUHKLSA-N 1 3 303.450 2.137 20 0 DEADHO CC[N@H+]1CC[C@H](CNC(=O)C[C@H](c2ccccc2)N(C)C)C1 ZINC000416132794 405031371 /nfs/dbraw/zinc/03/13/71/405031371.db2.gz LZNQWNREOSUPFB-NVXWUHKLSA-N 1 3 303.450 2.137 20 0 DEADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000415926137 404973829 /nfs/dbraw/zinc/97/38/29/404973829.db2.gz YUCTUCRCWOJTBM-ZFWWWQNUSA-N 1 3 304.438 2.400 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N(C)C1CC([NH3+])C1)c1ccsc1 ZINC000417005917 404996674 /nfs/dbraw/zinc/99/66/74/404996674.db2.gz JEBWQGSMIRLSGB-NRXISQOPSA-N 1 3 324.494 2.262 20 0 DEADHO COc1cccc(NC(=O)CCN(C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435621300 404997560 /nfs/dbraw/zinc/99/75/60/404997560.db2.gz KKUQMQLRMYYMQT-OAHLLOKOSA-N 1 3 305.422 2.098 20 0 DEADHO CCN(CCC(=O)Nc1ccc(OC)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435630598 404998564 /nfs/dbraw/zinc/99/85/64/404998564.db2.gz XQPUHMSARZPOAG-MRXNPFEDSA-N 1 3 319.449 2.488 20 0 DEADHO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1)[C@@H]1CCCNCC1 ZINC000435630598 404998568 /nfs/dbraw/zinc/99/85/68/404998568.db2.gz XQPUHMSARZPOAG-MRXNPFEDSA-N 1 3 319.449 2.488 20 0 DEADHO CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1)[C@@H]1CCCNCC1 ZINC000435630598 404998574 /nfs/dbraw/zinc/99/85/74/404998574.db2.gz XQPUHMSARZPOAG-MRXNPFEDSA-N 1 3 319.449 2.488 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CCN1C ZINC000417744089 405094596 /nfs/dbraw/zinc/09/45/96/405094596.db2.gz CMRQGVXSSQWWOT-VQHPVUNQSA-N 1 3 322.497 2.033 20 0 DEADHO C[NH2+]CCCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000417735110 405095101 /nfs/dbraw/zinc/09/51/01/405095101.db2.gz KXJOBLRPXIULQZ-HIFRSBDPSA-N 1 3 324.494 2.040 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NCCCC[NH3+])CCN1Cc1ccccc1 ZINC000417837438 405099733 /nfs/dbraw/zinc/09/97/33/405099733.db2.gz MKEKHOUHEDXELK-WBVHZDCISA-N 1 3 318.465 2.078 20 0 DEADHO CN(C)[C@H](CC(=O)N1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000416159695 405040950 /nfs/dbraw/zinc/04/09/50/405040950.db2.gz NFMZBLPOZOSXAP-GOSISDBHSA-N 1 3 317.477 2.480 20 0 DEADHO CCn1nc(C)c(CN2CC[C@H](OCC[NH+](CC)CC)C2)c1C ZINC000354097972 405043032 /nfs/dbraw/zinc/04/30/32/405043032.db2.gz UHRDICCBIGAUJV-KRWDZBQOSA-N 1 3 322.497 2.453 20 0 DEADHO CC(C)n1nccc1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000354134121 405061309 /nfs/dbraw/zinc/06/13/09/405061309.db2.gz OMMKGGRKMOAKDB-HOTGVXAUSA-N 1 3 308.470 2.443 20 0 DEADHO [NH3+]C[C@@H](CN1CCN(C2CCCC2)CC1)c1ccc(F)cc1 ZINC000424307293 405064408 /nfs/dbraw/zinc/06/44/08/405064408.db2.gz XICXFRYHOUGMOG-INIZCTEOSA-N 1 3 305.441 2.428 20 0 DEADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCCN(C)Cc1ccccc1 ZINC000417229997 405069754 /nfs/dbraw/zinc/06/97/54/405069754.db2.gz JIDKIYIYVSBCBF-QGZVFWFLSA-N 1 3 320.481 2.133 20 0 DEADHO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424335904 405071664 /nfs/dbraw/zinc/07/16/64/405071664.db2.gz PQXRVHWASFICCR-APHBMKBZSA-N 1 3 307.413 2.205 20 0 DEADHO Cc1ccc([C@H](CNC(=O)N2CCCC[C@H]2C[NH3+])N(C)C)cc1 ZINC000417304878 405086276 /nfs/dbraw/zinc/08/62/76/405086276.db2.gz FVHSWPTYQHOSHT-IRXDYDNUSA-N 1 3 318.465 2.121 20 0 DEADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCC[C@@H]([NH3+])C1)N(C)C ZINC000418185998 405116143 /nfs/dbraw/zinc/11/61/43/405116143.db2.gz RHLUGRKVARIERL-ZMSDIMECSA-N 1 3 318.465 2.119 20 0 DEADHO CCCN(C)CC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000438715842 405254124 /nfs/dbraw/zinc/25/41/24/405254124.db2.gz XROIJYNWJBXQIU-UHFFFAOYSA-N 1 3 317.477 2.451 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN(CCCO)CC(C)(C)C)cc1 ZINC000420294955 405309216 /nfs/dbraw/zinc/30/92/16/405309216.db2.gz BOPUYWNWIMWALZ-MRXNPFEDSA-N 1 3 308.466 2.468 20 0 DEADHO C[C@H](CNC(=O)NCCCC[N@H+](C)C1CC1)N1CCCC[C@H]1C ZINC000454251643 405317739 /nfs/dbraw/zinc/31/77/39/405317739.db2.gz COLALXHHSSBWPF-HZPDHXFCSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@H](CNC(=O)NCCCC[N@@H+](C)C1CC1)N1CCCC[C@H]1C ZINC000454251643 405317742 /nfs/dbraw/zinc/31/77/42/405317742.db2.gz COLALXHHSSBWPF-HZPDHXFCSA-N 1 3 324.513 2.423 20 0 DEADHO Cc1ccccc1OCCCN1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420323605 405319185 /nfs/dbraw/zinc/31/91/85/405319185.db2.gz GHUDZWBOPWWUEF-KRWDZBQOSA-N 1 3 318.461 2.451 20 0 DEADHO Cc1ccccc1OCCC[N@@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000420323605 405319189 /nfs/dbraw/zinc/31/91/89/405319189.db2.gz GHUDZWBOPWWUEF-KRWDZBQOSA-N 1 3 318.461 2.451 20 0 DEADHO Cc1ccccc1OCCC[N@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000420323605 405319192 /nfs/dbraw/zinc/31/91/92/405319192.db2.gz GHUDZWBOPWWUEF-KRWDZBQOSA-N 1 3 318.461 2.451 20 0 DEADHO NC[C@H]1C[N@H+](CCCOCc2ccccc2)CC12CCOCC2 ZINC000420322881 405319348 /nfs/dbraw/zinc/31/93/48/405319348.db2.gz FRQRWKFCHABARZ-SFHVURJKSA-N 1 3 318.461 2.281 20 0 DEADHO NC[C@H]1C[N@@H+](CCCOCc2ccccc2)CC12CCOCC2 ZINC000420322881 405319352 /nfs/dbraw/zinc/31/93/52/405319352.db2.gz FRQRWKFCHABARZ-SFHVURJKSA-N 1 3 318.461 2.281 20 0 DEADHO c1ccc2oc(N3CCN(CC[C@H]4CCC[NH2+]C4)CC3)nc2c1 ZINC000420325402 405319882 /nfs/dbraw/zinc/31/98/82/405319882.db2.gz WBFAXRQISRULLX-OAHLLOKOSA-N 1 3 314.433 2.340 20 0 DEADHO O=C1[C@@H](N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCCN1c1ccccc1 ZINC000420333061 405323285 /nfs/dbraw/zinc/32/32/85/405323285.db2.gz JVDNZRUWOISHQP-JZXOWHBKSA-N 1 3 313.445 2.113 20 0 DEADHO C[C@@H]1CC[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)[C@H](CN)C1 ZINC000420333086 405323451 /nfs/dbraw/zinc/32/34/51/405323451.db2.gz JWTHLEQOBJXGKG-ABAIWWIYSA-N 1 3 311.376 2.353 20 0 DEADHO C[C@@H]1CC[N@@H+](CCC(=O)Nc2cc(F)cc(F)c2)[C@H](CN)C1 ZINC000420333086 405323453 /nfs/dbraw/zinc/32/34/53/405323453.db2.gz JWTHLEQOBJXGKG-ABAIWWIYSA-N 1 3 311.376 2.353 20 0 DEADHO CC(C)CN(CC(C)C)C(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420334988 405324097 /nfs/dbraw/zinc/32/40/97/405324097.db2.gz HAGLXOWFBQUZEL-QZTJIDSGSA-N 1 3 323.525 2.449 20 0 DEADHO C[C@H](C(=O)NCc1ccccc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420339042 405325216 /nfs/dbraw/zinc/32/52/16/405325216.db2.gz LPHHCXGBLQUTMD-NJAFHUGGSA-N 1 3 315.461 2.013 20 0 DEADHO Cc1cccc(NC(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420343390 405326165 /nfs/dbraw/zinc/32/61/65/405326165.db2.gz QXSQGZTWDFLWKH-HOTGVXAUSA-N 1 3 301.434 2.255 20 0 DEADHO COCC1(C)CCN(C[C@@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000420368217 405334771 /nfs/dbraw/zinc/33/47/71/405334771.db2.gz HQIKVXPEWUYCKB-MRXNPFEDSA-N 1 3 306.450 2.486 20 0 DEADHO [NH3+][C@H]1CCO[C@H](C2CCN(CCOc3ccc(F)cc3)CC2)C1 ZINC000420386701 405340221 /nfs/dbraw/zinc/34/02/21/405340221.db2.gz JKLADDWKBOTXNX-WMZOPIPTSA-N 1 3 322.424 2.423 20 0 DEADHO CC(CN(C)[C@@H]1CCCC[C@H]1O)C[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426219519 405344850 /nfs/dbraw/zinc/34/48/50/405344850.db2.gz IVINPBAWFPDZGW-BRSBDYLESA-N 1 3 312.498 2.093 20 0 DEADHO CC(CN(C)[C@@H]1CCCC[C@H]1O)C[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426219519 405344851 /nfs/dbraw/zinc/34/48/51/405344851.db2.gz IVINPBAWFPDZGW-BRSBDYLESA-N 1 3 312.498 2.093 20 0 DEADHO COCC(C)(C)C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000426419445 405358799 /nfs/dbraw/zinc/35/87/99/405358799.db2.gz JGRPGFHCNDVKMS-UHFFFAOYSA-N 1 3 311.514 2.149 20 0 DEADHO CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H](C)N(C)C)cc1 ZINC000454156054 405303478 /nfs/dbraw/zinc/30/34/78/405303478.db2.gz BYUUXAIJVMFATP-HNNXBMFYSA-N 1 3 320.481 2.278 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000440175256 405304953 /nfs/dbraw/zinc/30/49/53/405304953.db2.gz BIUKUMJYONVEGK-DLBZAZTESA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000440175256 405304955 /nfs/dbraw/zinc/30/49/55/405304955.db2.gz BIUKUMJYONVEGK-DLBZAZTESA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)[C@@H](COCc1ccccc1)[NH2+]CC1(O)CCN(C)CC1 ZINC000446832666 405394130 /nfs/dbraw/zinc/39/41/30/405394130.db2.gz QDHYOVSUTGMTDL-GOSISDBHSA-N 1 3 320.477 2.274 20 0 DEADHO CN(C)C[C@H](NC(=O)C[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000427301927 405399099 /nfs/dbraw/zinc/39/90/99/405399099.db2.gz ZLOJTCAIUVJOCZ-RDJZCZTQSA-N 1 3 303.450 2.185 20 0 DEADHO CCN(Cc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1)C1CC1 ZINC000427575511 405413290 /nfs/dbraw/zinc/41/32/90/405413290.db2.gz VCOXYQCKSSLSEG-KBXCAEBGSA-N 1 3 315.461 2.399 20 0 DEADHO C[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCC(C)CC1 ZINC000455476132 405415444 /nfs/dbraw/zinc/41/54/44/405415444.db2.gz OGUQKRKBHBEGEK-MGNMYUMUSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCC(C)CC1 ZINC000455476132 405415446 /nfs/dbraw/zinc/41/54/46/405415446.db2.gz OGUQKRKBHBEGEK-MGNMYUMUSA-N 1 3 322.497 2.031 20 0 DEADHO CC1(C)CCCCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000446069479 405368185 /nfs/dbraw/zinc/36/81/85/405368185.db2.gz VRVHBLQUZXAJQY-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1C[C@H](NC(=O)NCCCCC[NH+]2CCCC2)CCN1C ZINC000454636554 405375651 /nfs/dbraw/zinc/37/56/51/405375651.db2.gz FJZOMRXEIJJLDF-JKSUJKDBSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@@H](CN(C)C)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455854644 405456042 /nfs/dbraw/zinc/45/60/42/405456042.db2.gz NHBIVXJYTSDCFL-LRDDRELGSA-N 1 3 304.438 2.307 20 0 DEADHO CN1CCCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000455868767 405457208 /nfs/dbraw/zinc/45/72/08/405457208.db2.gz WFYZQCBLVZZUHC-KRWDZBQOSA-N 1 3 316.449 2.405 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCCN(CCCOc2ccc3c(c2)OCO3)C1 ZINC000430584744 405461933 /nfs/dbraw/zinc/46/19/33/405461933.db2.gz PZGKMTUPRSAKIV-UONOGXRCSA-N 1 3 306.406 2.243 20 0 DEADHO NC(=O)[C@H]1CCCN(CCC[NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000421319599 405463415 /nfs/dbraw/zinc/46/34/15/405463415.db2.gz AJYFFCZDFSMXHO-SFHVURJKSA-N 1 3 315.461 2.241 20 0 DEADHO C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431026507 405562283 /nfs/dbraw/zinc/56/22/83/405562283.db2.gz FOQTZZFYAAUIGZ-INIZCTEOSA-N 1 3 315.461 2.109 20 0 DEADHO CC(=O)c1ccccc1OCCN1CCC2(CC[NH2+]C2)CC1 ZINC000431035172 405564597 /nfs/dbraw/zinc/56/45/97/405564597.db2.gz QTQNDWNRBHKNTA-UHFFFAOYSA-N 1 3 302.418 2.344 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000430892410 405522203 /nfs/dbraw/zinc/52/22/03/405522203.db2.gz DWGLPHOOISEMTQ-QEOTZNIISA-N 1 3 307.482 2.286 20 0 DEADHO C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](c1ccccc1)N(C)C ZINC000635810063 405525034 /nfs/dbraw/zinc/52/50/34/405525034.db2.gz FOHJLEOXKKAIPA-GDBMZVCRSA-N 1 3 303.450 2.136 20 0 DEADHO C[C@H]([NH3+])C1CCN([C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000430915016 405526433 /nfs/dbraw/zinc/52/64/33/405526433.db2.gz BGAKKCQARXNBAN-ILXRZTDVSA-N 1 3 315.461 2.412 20 0 DEADHO C[NH2+]CC1CCN(CC(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000430920695 405528011 /nfs/dbraw/zinc/52/80/11/405528011.db2.gz QCEAKVKSUQPQLX-UHFFFAOYSA-N 1 3 317.477 2.355 20 0 DEADHO C[C@@H]([NH3+])C1CCN([C@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000430946853 405540856 /nfs/dbraw/zinc/54/08/56/405540856.db2.gz BWQHSBJARHDWFR-QLFBSQMISA-N 1 3 303.450 2.312 20 0 DEADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)/C=C\C[NH+](C)C ZINC000493492782 405542893 /nfs/dbraw/zinc/54/28/93/405542893.db2.gz RUKZHLSQWWXCAC-ZVBPTUHVSA-N 1 3 317.477 2.377 20 0 DEADHO C[C@H]([NH3+])C1CCN([C@@H](C)C(=O)N(C)Cc2cccc(F)c2)CC1 ZINC000430958999 405547986 /nfs/dbraw/zinc/54/79/86/405547986.db2.gz VIDRFHZWRARNMZ-KBPBESRZSA-N 1 3 321.440 2.232 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+](C)CC(C)(C)CO)CC1 ZINC000449420460 405554018 /nfs/dbraw/zinc/55/40/18/405554018.db2.gz JIOFAOUQPYIYGW-UHFFFAOYSA-N 1 3 319.493 2.279 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+](C)CC(C)(C)CO)CC1 ZINC000449420460 405554022 /nfs/dbraw/zinc/55/40/22/405554022.db2.gz JIOFAOUQPYIYGW-UHFFFAOYSA-N 1 3 319.493 2.279 20 0 DEADHO C[C@@H](CCC[NH3+])NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000449574192 405622607 /nfs/dbraw/zinc/62/26/07/405622607.db2.gz VXGKZKAPFUJEQR-GOEBONIOSA-N 1 3 321.440 2.281 20 0 DEADHO C[N@@H+]1CCC[C@H](CCNC(=O)Nc2cccc3c2CCNC3)C1 ZINC000557033148 405571925 /nfs/dbraw/zinc/57/19/25/405571925.db2.gz XFNYTPUJFSWIJM-CQSZACIVSA-N 1 3 316.449 2.186 20 0 DEADHO C[N@H+]1CCC[C@H](CCNC(=O)Nc2cccc3c2CCNC3)C1 ZINC000557033148 405571929 /nfs/dbraw/zinc/57/19/29/405571929.db2.gz XFNYTPUJFSWIJM-CQSZACIVSA-N 1 3 316.449 2.186 20 0 DEADHO CC[C@@H](C)N[C@H](CNC(=O)NC(C)(C)C[NH+](C)C)c1ccco1 ZINC000458776430 405585303 /nfs/dbraw/zinc/58/53/03/405585303.db2.gz RZZDIBQKKXNPBA-ZIAGYGMSSA-N 1 3 324.469 2.348 20 0 DEADHO CC1CC[NH+](CCCNC(=O)C[C@@H](N)Cc2ccccc2)CC1 ZINC000580186249 405602421 /nfs/dbraw/zinc/60/24/21/405602421.db2.gz NTVJJKLVNMYDCY-SFHVURJKSA-N 1 3 317.477 2.185 20 0 DEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(C)CC[C@H]1C ZINC000458939249 405663859 /nfs/dbraw/zinc/66/38/59/405663859.db2.gz PTZDGUVYTPOHRD-SJORKVTESA-N 1 3 324.513 2.233 20 0 DEADHO COCCN(C)CC[C@@H](N[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000422712527 405676803 /nfs/dbraw/zinc/67/68/03/405676803.db2.gz ILQIOXQKZQLLLU-RBUKOAKNSA-N 1 3 319.493 2.428 20 0 DEADHO C[C@H](C[C@@H]1COCCN1)[NH2+]CC(C)(C)N1C[C@H](C)C[C@H](C)C1 ZINC000422755944 405677612 /nfs/dbraw/zinc/67/76/12/405677612.db2.gz IHKODRGFCQFGHX-YYIAUSFCSA-N 1 3 311.514 2.100 20 0 DEADHO C[C@H](C[C@@H]1COCCN1)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422755944 405677618 /nfs/dbraw/zinc/67/76/18/405677618.db2.gz IHKODRGFCQFGHX-YYIAUSFCSA-N 1 3 311.514 2.100 20 0 DEADHO C[C@H](C[C@@H]1COCCN1)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422755944 405677625 /nfs/dbraw/zinc/67/76/25/405677625.db2.gz IHKODRGFCQFGHX-YYIAUSFCSA-N 1 3 311.514 2.100 20 0 DEADHO c1ccc2c(c1)CC(CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000422979349 405693015 /nfs/dbraw/zinc/69/30/15/405693015.db2.gz JKIOIKAZZFBAHQ-CEXWTWQISA-N 1 3 300.446 2.148 20 0 DEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000423063185 405696995 /nfs/dbraw/zinc/69/69/95/405696995.db2.gz VWWVLJXJHTWPLF-RFGFWPKPSA-N 1 3 308.388 2.448 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000638834510 405702634 /nfs/dbraw/zinc/70/26/34/405702634.db2.gz GVJACLJMRXRBGT-MVJTYMMSSA-N 1 3 317.477 2.244 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000638834510 405702642 /nfs/dbraw/zinc/70/26/42/405702642.db2.gz GVJACLJMRXRBGT-MVJTYMMSSA-N 1 3 317.477 2.244 20 0 DEADHO Cc1ccc([C@H](CCn2cncn2)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000423207908 405723523 /nfs/dbraw/zinc/72/35/23/405723523.db2.gz HJTLXRZWHJUEKR-AEFFLSMTSA-N 1 3 313.449 2.307 20 0 DEADHO Cn1cc([C@H](NCC[C@H]2CC[NH2+]C2)c2cccc(F)c2)cn1 ZINC000423244515 405735308 /nfs/dbraw/zinc/73/53/08/405735308.db2.gz HOCMIZYQXIPLHS-CXAGYDPISA-N 1 3 302.397 2.238 20 0 DEADHO Cc1ccc(S(=O)(=O)C[C@@H](C)NCC[C@H]2CCC[NH2+]C2)cc1 ZINC000423256806 405738559 /nfs/dbraw/zinc/73/85/59/405738559.db2.gz GBGVEFWVXPAWHW-HZPDHXFCSA-N 1 3 324.490 2.137 20 0 DEADHO C[C@@H]1CCN[C@H](C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000423313803 405758608 /nfs/dbraw/zinc/75/86/08/405758608.db2.gz UXXKJAWTPKSQKD-QAPCUYQASA-N 1 3 315.461 2.287 20 0 DEADHO C[C@H]1CCN[C@@H](C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000423355130 405775366 /nfs/dbraw/zinc/77/53/66/405775366.db2.gz OPMDGBMVAJVRJL-FUHWJXTLSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H]1CCN[C@@H](C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000423355130 405775369 /nfs/dbraw/zinc/77/53/69/405775369.db2.gz OPMDGBMVAJVRJL-FUHWJXTLSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CC2(C[NH3+])CC2)C1 ZINC000423361737 405776343 /nfs/dbraw/zinc/77/63/43/405776343.db2.gz MMXZNWDGQBJRKA-GDBMZVCRSA-N 1 3 301.434 2.067 20 0 DEADHO C[C@@H]1CCN[C@H](C(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000423360778 405776628 /nfs/dbraw/zinc/77/66/28/405776628.db2.gz QXODPIVTCOKDGJ-PBHICJAKSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@H]2CN2CCCC2)cc1 ZINC000423359340 405776670 /nfs/dbraw/zinc/77/66/70/405776670.db2.gz OXCRYBGMXWQXDW-YOEHRIQHSA-N 1 3 301.434 2.407 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000423367194 405779512 /nfs/dbraw/zinc/77/95/12/405779512.db2.gz QYKNFUZSONRVEN-XOKHGSTOSA-N 1 3 301.434 2.066 20 0 DEADHO CC(=O)NCCc1ccc([C@H](C)[NH2+][C@H]2CCCN[C@H]2C)cc1 ZINC000423385518 405785673 /nfs/dbraw/zinc/78/56/73/405785673.db2.gz QWTKIGAIIMIAHV-DEYYWGMASA-N 1 3 303.450 2.156 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000423394465 405788541 /nfs/dbraw/zinc/78/85/41/405788541.db2.gz ZUIXAMGTDRNBPQ-OGWOLHLISA-N 1 3 313.445 2.080 20 0 DEADHO C[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1cccc(N2CCOCC2)c1 ZINC000423400150 405790826 /nfs/dbraw/zinc/79/08/26/405790826.db2.gz WLEYPMRKKFZBSP-HLLBOEOZSA-N 1 3 303.450 2.314 20 0 DEADHO C[C@@H]([NH2+]CCc1cncn1C)c1cccc(OCCN(C)C)c1 ZINC000530407257 405796235 /nfs/dbraw/zinc/79/62/35/405796235.db2.gz IRRXINAPFUMWRG-OAHLLOKOSA-N 1 3 316.449 2.254 20 0 DEADHO [NH3+]C[C@H]1CCC[C@H]1Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000583988562 405802026 /nfs/dbraw/zinc/80/20/26/405802026.db2.gz CEUVIPXTEHXORK-IEBWSBKVSA-N 1 3 317.477 2.430 20 0 DEADHO C[C@@H]1CCN[C@H](C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000423332141 405765343 /nfs/dbraw/zinc/76/53/43/405765343.db2.gz PABDLMIRKLBVJT-VQHPVUNQSA-N 1 3 309.498 2.249 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H](N)c1ccccc1 ZINC000423338154 405766546 /nfs/dbraw/zinc/76/65/46/405766546.db2.gz KQWFJVFCONOMSZ-IKGGRYGDSA-N 1 3 315.461 2.456 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H](N)c1ccccc1 ZINC000423338154 405766555 /nfs/dbraw/zinc/76/65/55/405766555.db2.gz KQWFJVFCONOMSZ-IKGGRYGDSA-N 1 3 315.461 2.456 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)NCC[C@H]1CCC[NH2+]1 ZINC000423355004 405774906 /nfs/dbraw/zinc/77/49/06/405774906.db2.gz DPPIXLFQFABEFM-UONOGXRCSA-N 1 3 305.422 2.144 20 0 DEADHO N[C@@H](CC1CCCCC1)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000423606228 405873189 /nfs/dbraw/zinc/87/31/89/405873189.db2.gz HXYYNEBVNFDGOF-INIZCTEOSA-N 1 3 307.482 2.276 20 0 DEADHO Cn1cncc1CC[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000459369040 405874272 /nfs/dbraw/zinc/87/42/72/405874272.db2.gz GQPQHYLHJGOYRS-UHFFFAOYSA-N 1 3 313.449 2.206 20 0 DEADHO Cn1cncc1CC[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000459369040 405874281 /nfs/dbraw/zinc/87/42/81/405874281.db2.gz GQPQHYLHJGOYRS-UHFFFAOYSA-N 1 3 313.449 2.206 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000433138382 405876930 /nfs/dbraw/zinc/87/69/30/405876930.db2.gz SBBSYUFPRVITAP-ZBFHGGJFSA-N 1 3 323.506 2.307 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C[C@@H]2CCNC(=O)CC2)C1 ZINC000450408596 405881744 /nfs/dbraw/zinc/88/17/44/405881744.db2.gz WAWARMPVRGMOIP-FGTMMUONSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C[C@@H]2CCNC(=O)CC2)C1 ZINC000450408596 405881749 /nfs/dbraw/zinc/88/17/49/405881749.db2.gz WAWARMPVRGMOIP-FGTMMUONSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CCCCN1C[C@@H]1CCC[N@H+](C[C@@H]2CCNC(=O)CC2)C1 ZINC000450408596 405881755 /nfs/dbraw/zinc/88/17/55/405881755.db2.gz WAWARMPVRGMOIP-FGTMMUONSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CCCCN1C[C@@H]1CCC[N@@H+](C[C@@H]2CCNC(=O)CC2)C1 ZINC000450408596 405881764 /nfs/dbraw/zinc/88/17/64/405881764.db2.gz WAWARMPVRGMOIP-FGTMMUONSA-N 1 3 321.509 2.489 20 0 DEADHO CCn1cc([C@H]2OCCC[C@@H]2N[C@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000639079787 405868864 /nfs/dbraw/zinc/86/88/64/405868864.db2.gz NENCBXIGULSNKR-BSWAZPDLSA-N 1 3 306.454 2.195 20 0 DEADHO CCn1cc([C@H]2OCCC[C@@H]2N[C@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000639079787 405868870 /nfs/dbraw/zinc/86/88/70/405868870.db2.gz NENCBXIGULSNKR-BSWAZPDLSA-N 1 3 306.454 2.195 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)CCC2CC[NH2+]CC2)cc1 ZINC000423728315 405930776 /nfs/dbraw/zinc/93/07/76/405930776.db2.gz LNXWSVPYAPCAKL-UHFFFAOYSA-N 1 3 303.450 2.144 20 0 DEADHO C[C@@H]1C[C@H](Nc2cccc(CN3CC[C@@H](O)C3)c2)CC[N@@H+]1C ZINC000639198464 405966788 /nfs/dbraw/zinc/96/67/88/405966788.db2.gz QDRYEVLKWJZUTP-ZTFGCOKTSA-N 1 3 303.450 2.148 20 0 DEADHO C[C@@H]1C[C@H](Nc2cccc(CN3CC[C@@H](O)C3)c2)CC[N@H+]1C ZINC000639198464 405966790 /nfs/dbraw/zinc/96/67/90/405966790.db2.gz QDRYEVLKWJZUTP-ZTFGCOKTSA-N 1 3 303.450 2.148 20 0 DEADHO CN(C(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CCCN(C)C1 ZINC000433360662 405933722 /nfs/dbraw/zinc/93/37/22/405933722.db2.gz FHLXRTVAUHSVDI-IAGOWNOFSA-N 1 3 303.450 2.232 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H](N)c1ccccc1 ZINC000423789583 405967282 /nfs/dbraw/zinc/96/72/82/405967282.db2.gz AZFQAGOAFCRNMB-SJORKVTESA-N 1 3 303.450 2.313 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@H](N)c1ccccc1 ZINC000423789583 405967288 /nfs/dbraw/zinc/96/72/88/405967288.db2.gz AZFQAGOAFCRNMB-SJORKVTESA-N 1 3 303.450 2.313 20 0 DEADHO C[C@H](CC(=O)N(C)[C@H](C)C1CCN(C)CC1)C1CC[NH2+]CC1 ZINC000423757242 405949999 /nfs/dbraw/zinc/94/99/99/405949999.db2.gz HXWKANDMXFTKOE-HUUCEWRRSA-N 1 3 309.498 2.201 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000531400434 405954155 /nfs/dbraw/zinc/95/41/55/405954155.db2.gz BEYKPOSGMASDIX-HZPDHXFCSA-N 1 3 324.513 2.375 20 0 DEADHO C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)[C@H](N)c1ccccc1 ZINC000423775109 405958557 /nfs/dbraw/zinc/95/85/57/405958557.db2.gz LXQDLXXJHZFYNV-OHFALNGGSA-N 1 3 303.450 2.121 20 0 DEADHO C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)[C@H](N)c1ccccc1 ZINC000423775109 405958561 /nfs/dbraw/zinc/95/85/61/405958561.db2.gz LXQDLXXJHZFYNV-OHFALNGGSA-N 1 3 303.450 2.121 20 0 DEADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccccc1CN(C)C ZINC000433300671 405916036 /nfs/dbraw/zinc/91/60/36/405916036.db2.gz UBBLBFCCJPHPPY-INIZCTEOSA-N 1 3 305.466 2.454 20 0 DEADHO c1nc(CNCC2CC[NH+](CC3CC3)CC2)cc2c1OCCO2 ZINC000639335292 406053064 /nfs/dbraw/zinc/05/30/64/406053064.db2.gz PJJYABHEBZANKV-UHFFFAOYSA-N 1 3 317.433 2.064 20 0 DEADHO CCO[C@@H]1C[C@@H](NC[C@@H]2CCC[N@H+](CC3CC3)C2)[C@]12CCCO2 ZINC000639337706 406055310 /nfs/dbraw/zinc/05/53/10/406055310.db2.gz OCDNVCGLVRWVND-WJFTUGDTSA-N 1 3 322.493 2.425 20 0 DEADHO CCO[C@@H]1C[C@@H](NC[C@@H]2CCC[N@@H+](CC3CC3)C2)[C@]12CCCO2 ZINC000639337706 406055314 /nfs/dbraw/zinc/05/53/14/406055314.db2.gz OCDNVCGLVRWVND-WJFTUGDTSA-N 1 3 322.493 2.425 20 0 DEADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)[C@]12CCCO2 ZINC000639337706 406055317 /nfs/dbraw/zinc/05/53/17/406055317.db2.gz OCDNVCGLVRWVND-WJFTUGDTSA-N 1 3 322.493 2.425 20 0 DEADHO CO[C@]1(C[NH2+]C[C@H]2CN(Cc3ccccc3)C[C@@H]2C)CCOC1 ZINC000639360524 406064067 /nfs/dbraw/zinc/06/40/67/406064067.db2.gz XASFMUUNBLWNLT-WDSOQIARSA-N 1 3 318.461 2.150 20 0 DEADHO CO[C@]1(CNC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CCOC1 ZINC000639360524 406064074 /nfs/dbraw/zinc/06/40/74/406064074.db2.gz XASFMUUNBLWNLT-WDSOQIARSA-N 1 3 318.461 2.150 20 0 DEADHO CO[C@]1(CNC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCOC1 ZINC000639360524 406064081 /nfs/dbraw/zinc/06/40/81/406064081.db2.gz XASFMUUNBLWNLT-WDSOQIARSA-N 1 3 318.461 2.150 20 0 DEADHO N[C@@H]1CCC[C@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000565593389 406074366 /nfs/dbraw/zinc/07/43/66/406074366.db2.gz UOJXIWCJAUEHIZ-CHWSQXEVSA-N 1 3 306.797 2.402 20 0 DEADHO CC[C@H](C)N(C)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000568192657 406209690 /nfs/dbraw/zinc/20/96/90/406209690.db2.gz QFZDXBJYQYXIGS-HNNXBMFYSA-N 1 3 309.498 2.440 20 0 DEADHO O[C@]1(CN2CC[C@]3(CC3(F)F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639723570 406221048 /nfs/dbraw/zinc/22/10/48/406221048.db2.gz NCRBZWXUJVPUCM-DLBZAZTESA-N 1 3 322.399 2.355 20 0 DEADHO O[C@]1(CN2CC[C@]3(CC3(F)F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639723570 406221056 /nfs/dbraw/zinc/22/10/56/406221056.db2.gz NCRBZWXUJVPUCM-DLBZAZTESA-N 1 3 322.399 2.355 20 0 DEADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)COc2ccccc2C)C1 ZINC000519636327 406226378 /nfs/dbraw/zinc/22/63/78/406226378.db2.gz DFDBALYNHVPJLS-SJORKVTESA-N 1 3 306.450 2.056 20 0 DEADHO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639759557 406237600 /nfs/dbraw/zinc/23/76/00/406237600.db2.gz BFQVIYVUAZCGNN-BBWFWOEESA-N 1 3 321.509 2.297 20 0 DEADHO C[C@H]1CCC[C@H](C)N1C(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639765089 406242861 /nfs/dbraw/zinc/24/28/61/406242861.db2.gz ZKQIWCCHPIVEPF-HOTGVXAUSA-N 1 3 307.482 2.194 20 0 DEADHO COc1ccc([C@H](CNC(=O)CCCC[NH3+])N2CCCC2)cc1 ZINC000569452605 406255737 /nfs/dbraw/zinc/25/57/37/406255737.db2.gz WUCIVLABUBHHBG-KRWDZBQOSA-N 1 3 319.449 2.077 20 0 DEADHO CN(C)[C@H](CNC(=O)C[NH2+][C@H]1CCC1(C)C)c1ccccc1 ZINC000569017693 292384473 /nfs/dbraw/zinc/38/44/73/292384473.db2.gz UVLRMCQJSLZXBB-CVEARBPZSA-N 1 3 303.450 2.184 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000637518650 406337050 /nfs/dbraw/zinc/33/70/50/406337050.db2.gz PTHDIYKDWCHCGM-DLBZAZTESA-N 1 3 318.465 2.251 20 0 DEADHO COc1cccc([C@H](C)[NH2+]C[C@H](O)[C@@H](N)Cc2ccccc2)c1 ZINC000569817593 406306474 /nfs/dbraw/zinc/30/64/74/406306474.db2.gz REVOTPARIFKZHM-JVPBZIDWSA-N 1 3 314.429 2.277 20 0 DEADHO C[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc(F)cn1 ZINC000635008045 406397340 /nfs/dbraw/zinc/39/73/40/406397340.db2.gz ICZJHQRKAOHYPQ-LBPRGKRZSA-N 1 3 301.369 2.198 20 0 DEADHO C[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1cccc(-n2cnnn2)c1 ZINC000635009046 406398128 /nfs/dbraw/zinc/39/81/28/406398128.db2.gz GEXRWBJQUAAOQH-ZFWWWQNUSA-N 1 3 314.437 2.091 20 0 DEADHO COCC[C@H]1CCC[C@@H]1Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635010721 406398498 /nfs/dbraw/zinc/39/84/98/406398498.db2.gz VDNJRMWYAIEBIM-ZBFHGGJFSA-N 1 3 304.438 2.108 20 0 DEADHO C[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1cccc(CO)c1 ZINC000635008962 406398960 /nfs/dbraw/zinc/39/89/60/406398960.db2.gz LJGBAVFDJZUFIO-AWEZNQCLSA-N 1 3 312.417 2.157 20 0 DEADHO C[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(S(C)(=O)=O)cc1 ZINC000635014187 406400988 /nfs/dbraw/zinc/40/09/88/406400988.db2.gz YWIOHPVVEXLOBO-BPLDGKMQSA-N 1 3 310.463 2.053 20 0 DEADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H](N)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000635014187 406400992 /nfs/dbraw/zinc/40/09/92/406400992.db2.gz YWIOHPVVEXLOBO-BPLDGKMQSA-N 1 3 310.463 2.053 20 0 DEADHO CSc1ccc(OC[C@H](O)C[NH2+]CCCN2CCCC2)cc1 ZINC000570662400 406423025 /nfs/dbraw/zinc/42/30/25/406423025.db2.gz IERNFHCQOCNGKQ-OAHLLOKOSA-N 1 3 324.490 2.224 20 0 DEADHO Cc1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCCN(C(C)C)C2)c1 ZINC000521862654 406369590 /nfs/dbraw/zinc/36/95/90/406369590.db2.gz GXOSMODUXPYKMT-QZTJIDSGSA-N 1 3 320.477 2.445 20 0 DEADHO CC(C)CC[NH+]1CCC(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC000571175277 406488797 /nfs/dbraw/zinc/48/87/97/406488797.db2.gz CFPBRMBXIFCMQG-MRXNPFEDSA-N 1 3 309.498 2.203 20 0 DEADHO CN(CC(=O)NCc1cccc(C[NH+](C)C)c1)CC(C)(C)C ZINC000635198891 406457385 /nfs/dbraw/zinc/45/73/85/406457385.db2.gz LKMXNNQGLLNCIG-UHFFFAOYSA-N 1 3 305.466 2.342 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000524877845 406463032 /nfs/dbraw/zinc/46/30/32/406463032.db2.gz REMAICUZIKDIJV-FUHWJXTLSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000524877845 406463036 /nfs/dbraw/zinc/46/30/36/406463036.db2.gz REMAICUZIKDIJV-FUHWJXTLSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)N1CCC(C)CC1 ZINC000635437689 406536873 /nfs/dbraw/zinc/53/68/73/406536873.db2.gz PPHOVAGWLUGLOM-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000525812426 406505520 /nfs/dbraw/zinc/50/55/20/406505520.db2.gz FTKUBSDFRHMGDE-WBVHZDCISA-N 1 3 324.513 2.231 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000525812426 406505524 /nfs/dbraw/zinc/50/55/24/406505524.db2.gz FTKUBSDFRHMGDE-WBVHZDCISA-N 1 3 324.513 2.231 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+][C@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC001369430095 1148979411 /nfs/dbraw/zinc/97/94/11/1148979411.db2.gz AKIGEOZLGCJCPX-ZBFHGGJFSA-N 1 3 320.481 2.461 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H]2[NH2+]CC2(C)C)N2CCCC2)cc1 ZINC000645801911 406638621 /nfs/dbraw/zinc/63/86/21/406638621.db2.gz QJAULSRCBHHDBJ-IRXDYDNUSA-N 1 3 315.461 2.246 20 0 DEADHO Cc1ccccc1CN1CCC(NC(=O)/C=C\C[NH+](C)C)CC1 ZINC000491885731 406762883 /nfs/dbraw/zinc/76/28/83/406762883.db2.gz PMXUQPRQZMHGLI-TWGQIWQCSA-N 1 3 315.461 2.193 20 0 DEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)/C=C\CN(C)C)CC1 ZINC000491885731 406762888 /nfs/dbraw/zinc/76/28/88/406762888.db2.gz PMXUQPRQZMHGLI-TWGQIWQCSA-N 1 3 315.461 2.193 20 0 DEADHO C[C@H](C[NH2+]C1CCN(CC(C)(C)O)CC1)N1CCCC[C@H]1C ZINC000638361610 406724249 /nfs/dbraw/zinc/72/42/49/406724249.db2.gz RSDZOKUYBIOTAR-HZPDHXFCSA-N 1 3 311.514 2.074 20 0 DEADHO CC(C)[NH2+]CCC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000646106465 406782601 /nfs/dbraw/zinc/78/26/01/406782601.db2.gz ZROJCASUNVBBOR-KRWDZBQOSA-N 1 3 303.450 2.107 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000646105897 406782963 /nfs/dbraw/zinc/78/29/63/406782963.db2.gz KSNKLNBISWOTEL-KURKYZTESA-N 1 3 315.461 2.107 20 0 DEADHO C[NH+](C)C1CC(NC(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000646109068 406783618 /nfs/dbraw/zinc/78/36/18/406783618.db2.gz QTQFLOYYKVQHCX-UHFFFAOYSA-N 1 3 315.461 2.495 20 0 DEADHO Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000577500607 406838601 /nfs/dbraw/zinc/83/86/01/406838601.db2.gz KPUPROCYKGTBAU-AEFFLSMTSA-N 1 3 320.477 2.446 20 0 DEADHO CC[C@H](CNC(=O)CC(C)(C)[NH3+])N1CCc2ccccc2C1 ZINC000646407997 406859149 /nfs/dbraw/zinc/85/91/49/406859149.db2.gz GGFRBYTVGHSIAU-MRXNPFEDSA-N 1 3 303.450 2.067 20 0 DEADHO [NH3+]CCCCC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000646410096 406859950 /nfs/dbraw/zinc/85/99/50/406859950.db2.gz QJJNYBFEHXWDDD-QGZVFWFLSA-N 1 3 303.450 2.459 20 0 DEADHO CC1(C)CN[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000646427232 406863161 /nfs/dbraw/zinc/86/31/61/406863161.db2.gz UZADZIBMGXGUCE-MRXNPFEDSA-N 1 3 301.434 2.261 20 0 DEADHO CN(CCCC[NH+]1CCCCC1)C(=O)[C@H]1CCCN1C1CC1 ZINC000641662950 406867713 /nfs/dbraw/zinc/86/77/13/406867713.db2.gz KLIXHLNEMBDUGN-QGZVFWFLSA-N 1 3 307.482 2.338 20 0 DEADHO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000646479667 406871369 /nfs/dbraw/zinc/87/13/69/406871369.db2.gz SPRQQYKUMJZPIR-KBAYOESNSA-N 1 3 315.461 2.202 20 0 DEADHO CCc1nc(C)c(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)o1 ZINC000641798726 406894816 /nfs/dbraw/zinc/89/48/16/406894816.db2.gz HNNPYXRVLNNUKQ-YOEHRIQHSA-N 1 3 307.438 2.264 20 0 DEADHO CN1C[C@H]2CCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)[C@H]2C1 ZINC000646918451 406925730 /nfs/dbraw/zinc/92/57/30/406925730.db2.gz VVIITQZXHLMHBL-MSOLQXFVSA-N 1 3 313.445 2.059 20 0 DEADHO Cc1ccc([C@H](CCn2cncn2)[NH2+][C@H]2CCN[C@H](C)C2)cc1 ZINC000643525780 407011075 /nfs/dbraw/zinc/01/10/75/407011075.db2.gz CNWZNNDFVZCWRN-NJAFHUGGSA-N 1 3 313.449 2.448 20 0 DEADHO NC(=O)c1csc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647542975 407016884 /nfs/dbraw/zinc/01/68/84/407016884.db2.gz FMSKOZXFEVTCNU-QWHCGFSZSA-N 1 3 307.463 2.059 20 0 DEADHO [NH3+]C[C@H]1CN(Cc2nccc3ccccc32)CC12CCOCC2 ZINC000647545465 407017817 /nfs/dbraw/zinc/01/78/17/407017817.db2.gz PTRFSKSSSKMPQH-INIZCTEOSA-N 1 3 311.429 2.422 20 0 DEADHO Fc1ccc(-c2nnc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)[n-]2)cc1 ZINC000647791277 407051182 /nfs/dbraw/zinc/05/11/82/407051182.db2.gz BKLDQBAKPYTFAF-GZBFAFLISA-N 1 3 315.396 2.089 20 0 DEADHO FC(F)COc1ncccc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647793923 407051813 /nfs/dbraw/zinc/05/18/13/407051813.db2.gz MIHPADWCAXFKRT-KWCYVHTRSA-N 1 3 311.376 2.203 20 0 DEADHO O=C(C1CCCC1)N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000643463261 407003048 /nfs/dbraw/zinc/00/30/48/407003048.db2.gz OFVZRHKVUMYHOU-XWTMOSNGSA-N 1 3 319.493 2.288 20 0 DEADHO CCOc1ccc2c(c1)[C@H](N[C@@H](CCC[NH3+])COC)CCO2 ZINC000643482535 407005646 /nfs/dbraw/zinc/00/56/46/407005646.db2.gz ZKYYNZYHPSWVCK-XJKSGUPXSA-N 1 3 308.422 2.252 20 0 DEADHO C[C@H]1CCCN(Cc2ccc(OCCN(C)C)cc2)[C@H]1C[NH3+] ZINC000647496753 407008160 /nfs/dbraw/zinc/00/81/60/407008160.db2.gz NZPDUCIYNDRJCY-YJBOKZPZSA-N 1 3 305.466 2.186 20 0 DEADHO C[C@@H](NC[C@@H]1CCCC[NH2+]1)c1cccc(OCCN(C)C)c1 ZINC000643501735 407008757 /nfs/dbraw/zinc/00/87/57/407008757.db2.gz OVXBIPMSIDOHSC-WBVHZDCISA-N 1 3 305.466 2.420 20 0 DEADHO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)NCC1CCCCC1 ZINC000647975130 407091793 /nfs/dbraw/zinc/09/17/93/407091793.db2.gz MJDDECWEJSZCFI-MSOLQXFVSA-N 1 3 321.509 2.395 20 0 DEADHO Cc1cc(C)cc(OCCN2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000647985722 407094240 /nfs/dbraw/zinc/09/42/40/407094240.db2.gz WLLYNRCFQDOCOM-QGZVFWFLSA-N 1 3 318.461 2.370 20 0 DEADHO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000647831898 407058251 /nfs/dbraw/zinc/05/82/51/407058251.db2.gz RBJZQHUOGNPHND-MAUKXSAKSA-N 1 3 315.461 2.447 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(C(=O)CC2CCN(C)CC2)CC1 ZINC000643964825 407067009 /nfs/dbraw/zinc/06/70/09/407067009.db2.gz DQVPVXIIWJWLHP-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(C(=O)CC2CCN(C)CC2)CC1 ZINC000643964825 407067011 /nfs/dbraw/zinc/06/70/11/407067011.db2.gz DQVPVXIIWJWLHP-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cc1 ZINC000644821922 407199767 /nfs/dbraw/zinc/19/97/67/407199767.db2.gz NIGVFQDKIXBVMP-MSOLQXFVSA-N 1 3 315.461 2.305 20 0 DEADHO CCCN(C(=O)NCC1([NH+](C)C)CCCCC1)[C@@H]1CCN(C)C1 ZINC000645111040 407232813 /nfs/dbraw/zinc/23/28/13/407232813.db2.gz IVIGEJZJJVVEAF-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO CC(C)[NH2+]CCCN[C@H](C)Cn1cc(Br)cn1 ZINC000569802191 292442876 /nfs/dbraw/zinc/44/28/76/292442876.db2.gz GSFXXPGIQIBLNA-LLVKDONJSA-N 1 3 303.248 2.012 20 0 DEADHO CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H](C)C[C@H]2COCCN2)C1 ZINC000422907906 287053225 /nfs/dbraw/zinc/05/32/25/287053225.db2.gz LTJSBMJJUYUCPA-BBWFWOEESA-N 1 3 311.514 2.244 20 0 DEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H](C)C[C@H]2COCCN2)C1 ZINC000422907906 287053228 /nfs/dbraw/zinc/05/32/28/287053228.db2.gz LTJSBMJJUYUCPA-BBWFWOEESA-N 1 3 311.514 2.244 20 0 DEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H](C)C[C@H]2COCCN2)C1 ZINC000422907906 287053232 /nfs/dbraw/zinc/05/32/32/287053232.db2.gz LTJSBMJJUYUCPA-BBWFWOEESA-N 1 3 311.514 2.244 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000132380204 196250537 /nfs/dbraw/zinc/25/05/37/196250537.db2.gz URLGEYNPYHMDEJ-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO COCC[C@@H](C)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000132793849 196283872 /nfs/dbraw/zinc/28/38/72/196283872.db2.gz WMQIRAAUHHACSJ-OAHLLOKOSA-N 1 3 306.450 2.158 20 0 DEADHO CC[C@H](C)C[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC001369434360 1148982957 /nfs/dbraw/zinc/98/29/57/1148982957.db2.gz GVBIXVHEWGFVTO-GJZGRUSLSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1n[nH]c(CC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)n1 ZINC000291200187 222216075 /nfs/dbraw/zinc/21/60/75/222216075.db2.gz QBKIQKJPQYMNGN-WMLDXEAASA-N 1 3 313.449 2.298 20 0 DEADHO Cc1nc(CC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)n[nH]1 ZINC000291200187 222216078 /nfs/dbraw/zinc/21/60/78/222216078.db2.gz QBKIQKJPQYMNGN-WMLDXEAASA-N 1 3 313.449 2.298 20 0 DEADHO OC[C@]1(c2ccccc2)CC[N@H+](CCCN2CCCCC2)C1 ZINC000291271931 222274865 /nfs/dbraw/zinc/27/48/65/222274865.db2.gz PQZRHVTWBOZSOS-IBGZPJMESA-N 1 3 302.462 2.498 20 0 DEADHO OC[C@]1(c2ccccc2)CC[N@@H+](CCCN2CCCCC2)C1 ZINC000291271931 222274866 /nfs/dbraw/zinc/27/48/66/222274866.db2.gz PQZRHVTWBOZSOS-IBGZPJMESA-N 1 3 302.462 2.498 20 0 DEADHO Cc1ccc([C@H](CNC(=O)NC[C@H](C)C[NH3+])N2CCCC2)cc1 ZINC000417350739 229012212 /nfs/dbraw/zinc/01/22/12/229012212.db2.gz BBSMUWRKQREHDI-WBVHZDCISA-N 1 3 318.465 2.026 20 0 DEADHO C[C@H](CC[NH3+])NC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000417698248 229070937 /nfs/dbraw/zinc/07/09/37/229070937.db2.gz GDNKZDLKGRATCN-KGLIPLIRSA-N 1 3 306.454 2.152 20 0 DEADHO C[C@@H](NC(=O)N1C[C@@H](C)NC[C@@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417997594 229178728 /nfs/dbraw/zinc/17/87/28/229178728.db2.gz SDQVBBKSDLQBDW-QXSJWSMHSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@@H](NC(=O)N1C[C@@H](C)NC[C@@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000417997594 229178730 /nfs/dbraw/zinc/17/87/30/229178730.db2.gz SDQVBBKSDLQBDW-QXSJWSMHSA-N 1 3 322.497 2.031 20 0 DEADHO CN1CCC(O)(C[NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000341528779 289888885 /nfs/dbraw/zinc/88/88/85/289888885.db2.gz IXPFZGHUFUTYSQ-UHFFFAOYSA-N 1 3 308.388 2.401 20 0 DEADHO CSc1ccc([C@@H](CNC(=O)NC(C)(C)C[NH3+])N(C)C)cc1 ZINC000418234033 229278630 /nfs/dbraw/zinc/27/86/30/229278630.db2.gz POTYEUVPFLSBNL-CQSZACIVSA-N 1 3 324.494 2.048 20 0 DEADHO CN(C)CCN(Cc1ccco1)C(=O)NCC1([NH3+])CCCCC1 ZINC000418320740 229310624 /nfs/dbraw/zinc/31/06/24/229310624.db2.gz QPMLDSNUAYHRRR-UHFFFAOYSA-N 1 3 322.453 2.014 20 0 DEADHO O=C(NCC[C@H]1CCC[NH2+]C1)N1CCN(C2CCCCC2)CC1 ZINC000418343166 229316527 /nfs/dbraw/zinc/31/65/27/229316527.db2.gz JHADWMPRSAWXOW-MRXNPFEDSA-N 1 3 322.497 2.036 20 0 DEADHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418599228 229399181 /nfs/dbraw/zinc/39/91/81/229399181.db2.gz ZGWLTFVNRBAXMR-DLBZAZTESA-N 1 3 318.465 2.030 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@@H]1CCC[NH2+]C1)c1ccco1 ZINC000418163725 287623281 /nfs/dbraw/zinc/62/32/81/287623281.db2.gz HONYFNSIMPYCHE-ZNMIVQPWSA-N 1 3 322.453 2.008 20 0 DEADHO C[C@H](Cc1ccc(F)cc1Cl)NC[C@H](O)C[NH+]1CCCC1 ZINC000421824564 230006791 /nfs/dbraw/zinc/00/67/91/230006791.db2.gz JJBCQNCSUQMQMQ-DOMZBBRYSA-N 1 3 314.832 2.456 20 0 DEADHO Cc1nc(CN2CCC(CN[C@@H](C)[C@H]3CCC[NH2+]3)CC2)oc1C ZINC000422716897 230173948 /nfs/dbraw/zinc/17/39/48/230173948.db2.gz UVCNXQUPKUMVSF-WMLDXEAASA-N 1 3 320.481 2.234 20 0 DEADHO COCCN(C)CC[C@H](NC1CC[NH2+]CC1)c1ccccc1 ZINC000422719818 230176398 /nfs/dbraw/zinc/17/63/98/230176398.db2.gz RNYIEBXEBZUHCI-SFHVURJKSA-N 1 3 305.466 2.038 20 0 DEADHO COCCN(C)CC[C@H](N[C@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422722761 230177701 /nfs/dbraw/zinc/17/77/01/230177701.db2.gz YXMKHJCVANFLST-QRQLOZEOSA-N 1 3 319.493 2.426 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000422747681 230188164 /nfs/dbraw/zinc/18/81/64/230188164.db2.gz ZIIVMVYKYAHKGG-KKUMJFAQSA-N 1 3 322.472 2.354 20 0 DEADHO Cc1cc(C)n(CCC[NH2+][C@@H](C)c2ccc(CN)nc2C)n1 ZINC000422750951 230190438 /nfs/dbraw/zinc/19/04/38/230190438.db2.gz FAASALGHHSFMTK-AWEZNQCLSA-N 1 3 301.438 2.403 20 0 DEADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1ccccc1F ZINC000422790554 230212136 /nfs/dbraw/zinc/21/21/36/230212136.db2.gz PJCUYWIIYPGXCK-TXCZRRACSA-N 1 3 322.424 2.340 20 0 DEADHO c1ccc2c(c1)CC[C@@H]2CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422913050 230276705 /nfs/dbraw/zinc/27/67/05/230276705.db2.gz XNXHPFAJFWLWAN-NXWXRZEISA-N 1 3 300.446 2.463 20 0 DEADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])Oc1ccccc1Cl ZINC000422923687 230280231 /nfs/dbraw/zinc/28/02/31/230280231.db2.gz SMQYLQSCTLZWPM-QVHKTLOISA-N 1 3 312.841 2.449 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1cccc(Br)c1 ZINC000422937014 230286826 /nfs/dbraw/zinc/28/68/26/230286826.db2.gz NMSGRQOQMDWHNV-GDLCADMTSA-N 1 3 313.239 2.291 20 0 DEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCN(C(=O)C1CCC1)C1CC1 ZINC000422957333 230293569 /nfs/dbraw/zinc/29/35/69/230293569.db2.gz NIHSAZPQVRCLJN-WBVHZDCISA-N 1 3 307.482 2.275 20 0 DEADHO C[C@H](Nc1cccc(CN2CCC(CO)CC2)c1)[C@@H]1CCC[NH2+]1 ZINC000422975551 230300176 /nfs/dbraw/zinc/30/01/76/230300176.db2.gz BKBSKPDERMBAEP-KXBFYZLASA-N 1 3 317.477 2.443 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@H]1NCCOc1ncccc1C(F)(F)F ZINC000422996006 230310387 /nfs/dbraw/zinc/31/03/87/230310387.db2.gz KUGFMFPHHOLKCB-CMPLNLGQSA-N 1 3 303.328 2.196 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCOCc1ccc(Cl)cc1 ZINC000423001811 230312785 /nfs/dbraw/zinc/31/27/85/230312785.db2.gz ILVIXSJJGMFBGM-MAZHCROVSA-N 1 3 312.841 2.199 20 0 DEADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000423082062 230341846 /nfs/dbraw/zinc/34/18/46/230341846.db2.gz CJLRWOPVYXPGQY-KFKAGJAMSA-N 1 3 317.477 2.245 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC2(N3CCSCC3)CCCC2)CCN1C ZINC000153806389 424860401 /nfs/dbraw/zinc/86/04/01/424860401.db2.gz ABRCFZGXRBRJGH-HZPDHXFCSA-N 1 3 311.539 2.420 20 0 DEADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000648827578 424912966 /nfs/dbraw/zinc/91/29/66/424912966.db2.gz MZEVZMUJYPQAHO-BPQIPLTHSA-N 1 3 315.461 2.060 20 0 DEADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000648827578 424912969 /nfs/dbraw/zinc/91/29/69/424912969.db2.gz MZEVZMUJYPQAHO-BPQIPLTHSA-N 1 3 315.461 2.060 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+]2CC[C@@H](CCCO)C2)cc1 ZINC000648874224 424921001 /nfs/dbraw/zinc/92/10/01/424921001.db2.gz TZPLNPOYIZGNCH-MRXNPFEDSA-N 1 3 306.450 2.221 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+]2CC[C@@H](CCCO)C2)cc1 ZINC000648874224 424921002 /nfs/dbraw/zinc/92/10/02/424921002.db2.gz TZPLNPOYIZGNCH-MRXNPFEDSA-N 1 3 306.450 2.221 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CC1([NH3+])CCC1 ZINC000398109171 424922230 /nfs/dbraw/zinc/92/22/30/424922230.db2.gz CKAPIRURPICCRU-DOTOQJQBSA-N 1 3 315.461 2.285 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000648731869 424899548 /nfs/dbraw/zinc/89/95/48/424899548.db2.gz UNTZKXZYIVJTMP-KBAYOESNSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000648731869 424899550 /nfs/dbraw/zinc/89/95/50/424899550.db2.gz UNTZKXZYIVJTMP-KBAYOESNSA-N 1 3 315.461 2.107 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1)N1CCCCC1 ZINC000649370736 425002919 /nfs/dbraw/zinc/00/29/19/425002919.db2.gz WKLGPVZAEGSQOU-JKSUJKDBSA-N 1 3 307.482 2.288 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000649371035 425003322 /nfs/dbraw/zinc/00/33/22/425003322.db2.gz GDUZDFCWVYPFKA-RYUDHWBXSA-N 1 3 303.406 2.350 20 0 DEADHO CCc1noc(-c2ccc(CCNC[C@H]3CCC[NH2+]C3)cc2)n1 ZINC000415087752 424949537 /nfs/dbraw/zinc/94/95/37/424949537.db2.gz WPZIRUAIKWCMFN-HNNXBMFYSA-N 1 3 314.433 2.431 20 0 DEADHO CCc1noc(-c2ccc(CC[NH2+]C[C@H]3CCCNC3)cc2)n1 ZINC000415087752 424949538 /nfs/dbraw/zinc/94/95/38/424949538.db2.gz WPZIRUAIKWCMFN-HNNXBMFYSA-N 1 3 314.433 2.431 20 0 DEADHO CC(C)([NH3+])CCC(=O)NCCCN1CCc2ccccc2C1 ZINC000649293715 424986121 /nfs/dbraw/zinc/98/61/21/424986121.db2.gz GJTIWJQGXRGJMU-UHFFFAOYSA-N 1 3 303.450 2.069 20 0 DEADHO CCC[N@H+](CCN1CCN(CC)CC1)Cc1cncc(C)c1 ZINC000344137966 424987181 /nfs/dbraw/zinc/98/71/81/424987181.db2.gz KFZFPHJYUUGJPL-UHFFFAOYSA-N 1 3 304.482 2.240 20 0 DEADHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1cncc(C)c1 ZINC000344137966 424987184 /nfs/dbraw/zinc/98/71/84/424987184.db2.gz KFZFPHJYUUGJPL-UHFFFAOYSA-N 1 3 304.482 2.240 20 0 DEADHO CCn1nc(C)c(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1C ZINC000650706603 425039075 /nfs/dbraw/zinc/03/90/75/425039075.db2.gz OJEURVSDXGBMEQ-JZXOWHBKSA-N 1 3 320.481 2.238 20 0 DEADHO CC(C)(C)n1cc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cn1 ZINC000650706437 425040235 /nfs/dbraw/zinc/04/02/35/425040235.db2.gz KOFIQLLMWQVXCI-YESZJQIVSA-N 1 3 320.481 2.356 20 0 DEADHO CC(C)n1cc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cn1 ZINC000650722796 425042148 /nfs/dbraw/zinc/04/21/48/425042148.db2.gz BINUPWQPVNXBQI-ZACQAIPSSA-N 1 3 306.454 2.325 20 0 DEADHO [NH3+]Cc1ccc(CNC2CCN(c3ccccn3)CC2)c(F)c1 ZINC000650717959 425042739 /nfs/dbraw/zinc/04/27/39/425042739.db2.gz SCLLHWADXWSNHS-UHFFFAOYSA-N 1 3 314.408 2.438 20 0 DEADHO C[C@@H](CNC(=O)N(C)CCN1CCCCC1)[NH+]1CCC(C)CC1 ZINC000650779825 425055139 /nfs/dbraw/zinc/05/51/39/425055139.db2.gz OEDBSIROXPGCPY-KRWDZBQOSA-N 1 3 324.513 2.234 20 0 DEADHO CCC[NH+]1CCC(CNC(=O)N(C)CCN2CCCCC2)CC1 ZINC000650809484 425059604 /nfs/dbraw/zinc/05/96/04/425059604.db2.gz KFISCGDKMFDZCX-UHFFFAOYSA-N 1 3 324.513 2.236 20 0 DEADHO CC[N@H+](CCCNC(=O)N1CCCN(C)CC1)C1CCCCC1 ZINC000651221190 425118391 /nfs/dbraw/zinc/11/83/91/425118391.db2.gz JUJXCXNPBLJONB-UHFFFAOYSA-N 1 3 324.513 2.378 20 0 DEADHO CC[N@@H+](CCCNC(=O)N1CCCN(C)CC1)C1CCCCC1 ZINC000651221190 425118393 /nfs/dbraw/zinc/11/83/93/425118393.db2.gz JUJXCXNPBLJONB-UHFFFAOYSA-N 1 3 324.513 2.378 20 0 DEADHO CN(C)c1ncc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)s1 ZINC000656785527 425189485 /nfs/dbraw/zinc/18/94/85/425189485.db2.gz LLFACKNXFCPISL-CQSZACIVSA-N 1 3 308.495 2.421 20 0 DEADHO COc1cccc(OCC[N@@H+]2CCC[C@]3(CCN(C)C3)C2)c1 ZINC000660656858 425193190 /nfs/dbraw/zinc/19/31/90/425193190.db2.gz AFABDFIYHUEZHF-GOSISDBHSA-N 1 3 304.434 2.492 20 0 DEADHO COc1cccc(OCC[N@H+]2CCC[C@]3(CCN(C)C3)C2)c1 ZINC000660656858 425193191 /nfs/dbraw/zinc/19/31/91/425193191.db2.gz AFABDFIYHUEZHF-GOSISDBHSA-N 1 3 304.434 2.492 20 0 DEADHO CCCN1CC[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000660675767 425202485 /nfs/dbraw/zinc/20/24/85/425202485.db2.gz MAAGVERFOAEBND-CABCVRRESA-N 1 3 312.502 2.136 20 0 DEADHO CCCN1CC[C@@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000660675771 425203074 /nfs/dbraw/zinc/20/30/74/425203074.db2.gz MAAGVERFOAEBND-HUUCEWRRSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000660571995 425163956 /nfs/dbraw/zinc/16/39/56/425163956.db2.gz REPSRNLMFIQPMP-YESZJQIVSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000660571995 425163960 /nfs/dbraw/zinc/16/39/60/425163960.db2.gz REPSRNLMFIQPMP-YESZJQIVSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H]1CN(c2[nH+]ccc3[nH]ccc32)CC[C@H]1N1CCN(C)CC1 ZINC000663757746 425229209 /nfs/dbraw/zinc/22/92/09/425229209.db2.gz UXIBAJRPYSPBJW-RHSMWYFYSA-N 1 3 313.449 2.025 20 0 DEADHO CCN(C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@@H]1CCN(C)C1 ZINC000663773261 425232379 /nfs/dbraw/zinc/23/23/79/425232379.db2.gz DKFYDZRWKUTVGX-NUJGCVRESA-N 1 3 324.513 2.233 20 0 DEADHO COc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H](C)[C@@H]2CCN)c1 ZINC000652354625 425246970 /nfs/dbraw/zinc/24/69/70/425246970.db2.gz CZUNISJJUBEKBE-PBHICJAKSA-N 1 3 319.449 2.473 20 0 DEADHO COc1cccc(NC(=O)CC[N@H+]2CCC[C@@H](C)[C@@H]2CCN)c1 ZINC000652354625 425246974 /nfs/dbraw/zinc/24/69/74/425246974.db2.gz CZUNISJJUBEKBE-PBHICJAKSA-N 1 3 319.449 2.473 20 0 DEADHO COc1cccc(NC(=O)CCN2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000652354625 425246976 /nfs/dbraw/zinc/24/69/76/425246976.db2.gz CZUNISJJUBEKBE-PBHICJAKSA-N 1 3 319.449 2.473 20 0 DEADHO [NH3+]CCC1CCN(CC(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000652359544 425248721 /nfs/dbraw/zinc/24/87/21/425248721.db2.gz WGQXFCYGDFLPFM-UHFFFAOYSA-N 1 3 315.461 2.238 20 0 DEADHO C[C@@H](CNC(=O)NC[C@H]1CCN1C(C)(C)C)C[NH+]1CCCCC1 ZINC000660833012 425248790 /nfs/dbraw/zinc/24/87/90/425248790.db2.gz JHKJFGMOSJVUSQ-JKSUJKDBSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H](C(=O)N1CCc2sccc2C1)N1CCC(CC[NH3+])CC1 ZINC000652359378 425250366 /nfs/dbraw/zinc/25/03/66/425250366.db2.gz NYBUWLRCAWJMDS-CYBMUJFWSA-N 1 3 321.490 2.082 20 0 DEADHO CCC[NH+]1CCC(CNC(=O)N(CC)[C@H]2CCN(CC)C2)CC1 ZINC000663892359 425259829 /nfs/dbraw/zinc/25/98/29/425259829.db2.gz DOQIFALEZIRFPV-KRWDZBQOSA-N 1 3 324.513 2.234 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000653954614 425260139 /nfs/dbraw/zinc/26/01/39/425260139.db2.gz CIPOBEJMXHENMW-INIZCTEOSA-N 1 3 324.513 2.233 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000653954614 425260142 /nfs/dbraw/zinc/26/01/42/425260142.db2.gz CIPOBEJMXHENMW-INIZCTEOSA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@H+](CCCNC(=O)N1CCN[C@@H](C)[C@@H]1C)C1CCCCC1 ZINC000652227803 425217656 /nfs/dbraw/zinc/21/76/56/425217656.db2.gz OJRJMVNYIJGHHS-HOTGVXAUSA-N 1 3 324.513 2.423 20 0 DEADHO CC[N@@H+](CCCNC(=O)N1CCN[C@@H](C)[C@@H]1C)C1CCCCC1 ZINC000652227803 425217661 /nfs/dbraw/zinc/21/76/61/425217661.db2.gz OJRJMVNYIJGHHS-HOTGVXAUSA-N 1 3 324.513 2.423 20 0 DEADHO CCO[C@H](CC[NH+](C)C)CNCc1c(C2CCC2)cnn1C ZINC000657390080 425321399 /nfs/dbraw/zinc/32/13/99/425321399.db2.gz SGAJMPOVDJPZQQ-OAHLLOKOSA-N 1 3 308.470 2.134 20 0 DEADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@H]3CCCNC3=O)CC2)C1 ZINC000657283085 425291771 /nfs/dbraw/zinc/29/17/71/425291771.db2.gz LSTWXSHQKUQLJL-INMHGKMJSA-N 1 3 307.482 2.145 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000654388079 425340367 /nfs/dbraw/zinc/34/03/67/425340367.db2.gz HKJYONYZZCKIRT-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000661070710 425313072 /nfs/dbraw/zinc/31/30/72/425313072.db2.gz GBMGZPNACNHZTE-ZBFHGGJFSA-N 1 3 322.497 2.175 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000661070710 425313073 /nfs/dbraw/zinc/31/30/73/425313073.db2.gz GBMGZPNACNHZTE-ZBFHGGJFSA-N 1 3 322.497 2.175 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000661073806 425313454 /nfs/dbraw/zinc/31/34/54/425313454.db2.gz WULMCQRKICIFIM-MRXNPFEDSA-N 1 3 322.497 2.033 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000661206999 425351719 /nfs/dbraw/zinc/35/17/19/425351719.db2.gz WTJQXQNLYYQDOP-CVEARBPZSA-N 1 3 312.502 2.135 20 0 DEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000661206999 425351723 /nfs/dbraw/zinc/35/17/23/425351723.db2.gz WTJQXQNLYYQDOP-CVEARBPZSA-N 1 3 312.502 2.135 20 0 DEADHO CN(CCCNC(=O)[C@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000653106851 425406393 /nfs/dbraw/zinc/40/63/93/425406393.db2.gz OGDGXDDTHUOXHR-KRWDZBQOSA-N 1 3 303.450 2.014 20 0 DEADHO C[C@H](CCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)[NH+](C)C ZINC000664541689 425407359 /nfs/dbraw/zinc/40/73/59/425407359.db2.gz RPAGFXJSPRUGPF-OIISXLGYSA-N 1 3 318.465 2.071 20 0 DEADHO CN1CCC(C[NH2+][C@H]2COC3(CCC3)C2)(N2CCCCC2)CC1 ZINC000657890153 425413564 /nfs/dbraw/zinc/41/35/64/425413564.db2.gz BZLLSVFUDCCTJU-QGZVFWFLSA-N 1 3 321.509 2.238 20 0 DEADHO COC1(C[NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)CCCC1 ZINC000657596395 425373643 /nfs/dbraw/zinc/37/36/43/425373643.db2.gz MWDSYDJLZJGAOS-SFHVURJKSA-N 1 3 318.461 2.302 20 0 DEADHO CN(C)C[C@@H](NC(=O)[C@@H]1CCC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000653150501 425418476 /nfs/dbraw/zinc/41/84/76/425418476.db2.gz DFVIYHKOGDWWBF-GDBMZVCRSA-N 1 3 323.868 2.449 20 0 DEADHO COC1([C@H](C)[NH2+]Cc2ccnc(OCCN(C)C)c2)CCC1 ZINC000657937826 425420041 /nfs/dbraw/zinc/42/00/41/425420041.db2.gz VQGKTBORPKUIPP-AWEZNQCLSA-N 1 3 307.438 2.069 20 0 DEADHO COC[C@@H](CC1CCOCC1)NC1CC([NH+]2CCCCC2)C1 ZINC000658000227 425426305 /nfs/dbraw/zinc/42/63/05/425426305.db2.gz WSEVDLPEXLNFJQ-LXPRWKDFSA-N 1 3 310.482 2.425 20 0 DEADHO Cc1nccnc1[C@@H](C)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000658070308 425433735 /nfs/dbraw/zinc/43/37/35/425433735.db2.gz NWMSQBZEAVLBOT-OAHLLOKOSA-N 1 3 318.465 2.327 20 0 DEADHO C[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)[C@H]1CC[NH3+] ZINC000653240599 425441565 /nfs/dbraw/zinc/44/15/65/425441565.db2.gz PPASTYUYVKDHCX-YOEHRIQHSA-N 1 3 303.450 2.338 20 0 DEADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccnc1 ZINC000658138779 425444733 /nfs/dbraw/zinc/44/47/33/425444733.db2.gz NZBLJEALEJXAJW-KXBFYZLASA-N 1 3 311.429 2.499 20 0 DEADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccnc1 ZINC000658138779 425444735 /nfs/dbraw/zinc/44/47/35/425444735.db2.gz NZBLJEALEJXAJW-KXBFYZLASA-N 1 3 311.429 2.499 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)NCC[C@H](C)[NH+](C)C)c1ccco1 ZINC000664874606 425471135 /nfs/dbraw/zinc/47/11/35/425471135.db2.gz MWJKWGLXTVWASF-KKUMJFAQSA-N 1 3 324.469 2.348 20 0 DEADHO CC[C@@H]1CC[C@@H](C)N(CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000661860967 425515174 /nfs/dbraw/zinc/51/51/74/425515174.db2.gz LMRSRFPDFISOGQ-HZPDHXFCSA-N 1 3 309.498 2.486 20 0 DEADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H]2CN(C)C[C@H]2C)cc1 ZINC000665255294 425531129 /nfs/dbraw/zinc/53/11/29/425531129.db2.gz OEJJGEONIZWMCB-FCLVOEFKSA-N 1 3 317.477 2.071 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1 ZINC000665289360 425537934 /nfs/dbraw/zinc/53/79/34/425537934.db2.gz MHIOLQGFDUHKEM-XJNFMUPTSA-N 1 3 303.450 2.443 20 0 DEADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1 ZINC000665289360 425537936 /nfs/dbraw/zinc/53/79/36/425537936.db2.gz MHIOLQGFDUHKEM-XJNFMUPTSA-N 1 3 303.450 2.443 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000664934803 425482312 /nfs/dbraw/zinc/48/23/12/425482312.db2.gz MZDGDSWYAQKNGK-CVEARBPZSA-N 1 3 312.502 2.233 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000664934803 425482314 /nfs/dbraw/zinc/48/23/14/425482314.db2.gz MZDGDSWYAQKNGK-CVEARBPZSA-N 1 3 312.502 2.233 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCN2C(C)(C)C)C[C@@H]1C ZINC000665364129 425553785 /nfs/dbraw/zinc/55/37/85/425553785.db2.gz KIXKCLZISWIPGJ-JYJNAYRXSA-N 1 3 324.513 2.373 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCN2C(C)(C)C)C[C@@H]1C ZINC000665364129 425553788 /nfs/dbraw/zinc/55/37/88/425553788.db2.gz KIXKCLZISWIPGJ-JYJNAYRXSA-N 1 3 324.513 2.373 20 0 DEADHO CCc1ccccc1CC[NH+]1CCC(N2CC[C@@H](O)C2)CC1 ZINC000662152180 425576367 /nfs/dbraw/zinc/57/63/67/425576367.db2.gz QGOWNOKJENVDSL-LJQANCHMSA-N 1 3 302.462 2.323 20 0 DEADHO C[C@@H]1CCCN(C(=O)C[C@@H]2NCc3ccccc32)[C@H]1CC[NH3+] ZINC000659328536 425579418 /nfs/dbraw/zinc/57/94/18/425579418.db2.gz OJJYYYDNQOVUPQ-COXVUDFISA-N 1 3 301.434 2.197 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)N(C)CC(C)(C)[NH3+])CN1Cc1ccccc1 ZINC000659468662 425611127 /nfs/dbraw/zinc/61/11/27/425611127.db2.gz DBAVYQLYQORJJR-GOEBONIOSA-N 1 3 318.465 2.028 20 0 DEADHO C[N@H+](CCCOc1ccc(F)cc1)C[C@H]1CCC2(CNC2)O1 ZINC000662253948 425602922 /nfs/dbraw/zinc/60/29/22/425602922.db2.gz ZJZLASHMEXLOKB-MRXNPFEDSA-N 1 3 308.397 2.047 20 0 DEADHO C[N@@H+](CCCOc1ccc(F)cc1)C[C@H]1CCC2(CNC2)O1 ZINC000662253948 425602926 /nfs/dbraw/zinc/60/29/26/425602926.db2.gz ZJZLASHMEXLOKB-MRXNPFEDSA-N 1 3 308.397 2.047 20 0 DEADHO CCC[N@H+](C[C@@H]1CCC2(CNC2)O1)[C@H]1C[C@H](OCC)C1(C)C ZINC000662256030 425603414 /nfs/dbraw/zinc/60/34/14/425603414.db2.gz IGPYKXNRGNCWRC-JYJNAYRXSA-N 1 3 310.482 2.423 20 0 DEADHO CCC[N@@H+](C[C@@H]1CCC2(CNC2)O1)[C@H]1C[C@H](OCC)C1(C)C ZINC000662256030 425603416 /nfs/dbraw/zinc/60/34/16/425603416.db2.gz IGPYKXNRGNCWRC-JYJNAYRXSA-N 1 3 310.482 2.423 20 0 DEADHO Cc1ccc([C@H](CNC(=O)NCC2([NH3+])CCCC2)N(C)C)cc1 ZINC000659445679 425604757 /nfs/dbraw/zinc/60/47/57/425604757.db2.gz JRBWTARMOKEUPJ-INIZCTEOSA-N 1 3 318.465 2.168 20 0 DEADHO C[C@@H](CCNC(=O)Nc1cccc(OCCN(C)C)c1)[NH+](C)C ZINC000665601881 425605422 /nfs/dbraw/zinc/60/54/22/425605422.db2.gz HBMONGZVBLIMPJ-AWEZNQCLSA-N 1 3 322.453 2.089 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662422377 425648027 /nfs/dbraw/zinc/64/80/27/425648027.db2.gz VGNRMCLXLGKCJF-QAPCUYQASA-N 1 3 315.461 2.458 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662422377 425648030 /nfs/dbraw/zinc/64/80/30/425648030.db2.gz VGNRMCLXLGKCJF-QAPCUYQASA-N 1 3 315.461 2.458 20 0 DEADHO CCCN(CC)C[C@H](C)[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000655769935 425649310 /nfs/dbraw/zinc/64/93/10/425649310.db2.gz SOEORWKFZRTRFQ-FUHWJXTLSA-N 1 3 311.514 2.340 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000662426396 425649355 /nfs/dbraw/zinc/64/93/55/425649355.db2.gz RVXHBHSGYPCFMA-ZFWWWQNUSA-N 1 3 309.479 2.074 20 0 DEADHO O=C(c1cccc2c1CNC2)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000662441147 425651029 /nfs/dbraw/zinc/65/10/29/425651029.db2.gz AGRJYIINFUFEBA-INIZCTEOSA-N 1 3 313.445 2.380 20 0 DEADHO CC1(C)CCCN1CC[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000655775086 425651253 /nfs/dbraw/zinc/65/12/53/425651253.db2.gz OJHWDXCVVFIUBH-QGZVFWFLSA-N 1 3 309.498 2.094 20 0 DEADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1NCc2ccccc21 ZINC000662454632 425656148 /nfs/dbraw/zinc/65/61/48/425656148.db2.gz PFCJXOXKKJJIBP-WBVHZDCISA-N 1 3 301.434 2.212 20 0 DEADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1NCc2ccccc21 ZINC000662454632 425656152 /nfs/dbraw/zinc/65/61/52/425656152.db2.gz PFCJXOXKKJJIBP-WBVHZDCISA-N 1 3 301.434 2.212 20 0 DEADHO C[C@@H](NC(=O)C[C@@H]1NCc2ccccc21)C(C)(C)C[NH+](C)C ZINC000662474014 425659702 /nfs/dbraw/zinc/65/97/02/425659702.db2.gz PSXCVIRLLBXZLY-CJNGLKHVSA-N 1 3 303.450 2.314 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662485299 425662483 /nfs/dbraw/zinc/66/24/83/425662483.db2.gz OZTFZAHCRSJDEJ-QAPCUYQASA-N 1 3 315.461 2.411 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662485299 425662486 /nfs/dbraw/zinc/66/24/86/425662486.db2.gz OZTFZAHCRSJDEJ-QAPCUYQASA-N 1 3 315.461 2.411 20 0 DEADHO CC[NH+](CC)CC1CCN([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000659843178 425664977 /nfs/dbraw/zinc/66/49/77/425664977.db2.gz MOGDRXXJTMIKSN-OKZBNKHCSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CN(CC[NH+](C)C)C(=O)c1cc2c(s1)CCNC2 ZINC000662524192 425674105 /nfs/dbraw/zinc/67/41/05/425674105.db2.gz JGXSXJPESZKCNL-UHFFFAOYSA-N 1 3 309.479 2.054 20 0 DEADHO C[NH2+]C[C@@H](C)NC(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000659483255 425614133 /nfs/dbraw/zinc/61/41/33/425614133.db2.gz VUOMBHOOFDURDI-WBVHZDCISA-N 1 3 320.481 2.050 20 0 DEADHO CCC[C@H](C)NC(=O)[C@H](C)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294533 425615784 /nfs/dbraw/zinc/61/57/84/425615784.db2.gz CGCFNXCMSYHJSX-YQQAZPJKSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@@H]1CCCCN1C(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292935 425616742 /nfs/dbraw/zinc/61/67/42/425616742.db2.gz CDCPYVIWEOZSES-ZWKOTPCHSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CCCN(CC(=O)N(C)Cc2ccccc2)[C@@H]1CCC[NH3+] ZINC000662313470 425621297 /nfs/dbraw/zinc/62/12/97/425621297.db2.gz QUIXFOZUQOGWCR-SJLPKXTDSA-N 1 3 317.477 2.484 20 0 DEADHO C[C@@H]1CCCCN1CCC[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000655682227 425627397 /nfs/dbraw/zinc/62/73/97/425627397.db2.gz BWKPIKAUKPUSSU-MJGOQNOKSA-N 1 3 323.525 2.484 20 0 DEADHO CC1CC[NH+](CCCNC(=O)c2cc3c(s2)CCNC3)CC1 ZINC000662355458 425631380 /nfs/dbraw/zinc/63/13/80/425631380.db2.gz GADQZQGSDZDHAE-UHFFFAOYSA-N 1 3 321.490 2.246 20 0 DEADHO C[C@H](CN1CCC[C@@H](C)C1)[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000655698496 425631899 /nfs/dbraw/zinc/63/18/99/425631899.db2.gz GHXINRSGIKDHML-ZHALLVOQSA-N 1 3 323.525 2.340 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662360299 425632011 /nfs/dbraw/zinc/63/20/11/425632011.db2.gz HAEHUSULRVSNIC-DLBZAZTESA-N 1 3 315.461 2.279 20 0 DEADHO C[C@H]1CC[C@@H]([NH2+]C2CCN(C3CCN(C)CC3)CC2)CS1 ZINC000655713457 425635786 /nfs/dbraw/zinc/63/57/86/425635786.db2.gz MWOFJKXMOKRRDK-GOEBONIOSA-N 1 3 311.539 2.419 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C[C@H]1NCc2ccccc21 ZINC000662387099 425639388 /nfs/dbraw/zinc/63/93/88/425639388.db2.gz HNGQZWYJRPQUBY-RHSMWYFYSA-N 1 3 301.434 2.212 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCNC(=O)C[C@H]1NCc2ccccc21 ZINC000662387099 425639389 /nfs/dbraw/zinc/63/93/89/425639389.db2.gz HNGQZWYJRPQUBY-RHSMWYFYSA-N 1 3 301.434 2.212 20 0 DEADHO CCCC(C)(C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665757895 425640996 /nfs/dbraw/zinc/64/09/96/425640996.db2.gz ZOXMBMWNRPONGV-AWEZNQCLSA-N 1 3 300.491 2.136 20 0 DEADHO CCCC(C)(C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665757895 425640999 /nfs/dbraw/zinc/64/09/99/425640999.db2.gz ZOXMBMWNRPONGV-AWEZNQCLSA-N 1 3 300.491 2.136 20 0 DEADHO O=C(c1cccc2c1CNC2)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662589737 425687119 /nfs/dbraw/zinc/68/71/19/425687119.db2.gz JMGLJILIKPQIFL-MRXNPFEDSA-N 1 3 313.445 2.142 20 0 DEADHO C[C@H](C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)N1CCCCCC1 ZINC000662590774 425689426 /nfs/dbraw/zinc/68/94/26/425689426.db2.gz NMPJKZROPDDGLG-SJLPKXTDSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)(C)N1CC[C@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000662621497 425695672 /nfs/dbraw/zinc/69/56/72/425695672.db2.gz IHVWEPVADUTEEC-LXINESAQSA-N 1 3 307.482 2.129 20 0 DEADHO [NH3+]C1(CNC(=O)c2cccc(CN3CCCC3)c2)CCCC1 ZINC000662653130 425702951 /nfs/dbraw/zinc/70/29/51/425702951.db2.gz RREYYMOQLZJDFY-UHFFFAOYSA-N 1 3 301.434 2.284 20 0 DEADHO O=C(NCCC[NH+]1CCCCCC1)c1cccc2c1CNC2 ZINC000662663390 425706575 /nfs/dbraw/zinc/70/65/75/425706575.db2.gz FGMRROPGXJNKES-UHFFFAOYSA-N 1 3 301.434 2.286 20 0 DEADHO C[C@@H](CNC(=O)c1cccc2c1CCNC2)[N@@H+]1CCCC[C@@H]1C ZINC000662678567 425710325 /nfs/dbraw/zinc/71/03/25/425710325.db2.gz GFPPGOMMPZFTRT-GJZGRUSLSA-N 1 3 315.461 2.325 20 0 DEADHO C[C@@H](CNC(=O)c1cccc2c1CCNC2)[N@H+]1CCCC[C@@H]1C ZINC000662678567 425710327 /nfs/dbraw/zinc/71/03/27/425710327.db2.gz GFPPGOMMPZFTRT-GJZGRUSLSA-N 1 3 315.461 2.325 20 0 DEADHO C[NH+](C)[C@@H](CNC(=O)C1(N)CC2(CCC2)C1)C1CCCCC1 ZINC000662679178 425710508 /nfs/dbraw/zinc/71/05/08/425710508.db2.gz LQXWRXBFCBIGMN-HNNXBMFYSA-N 1 3 307.482 2.275 20 0 DEADHO CC[N@H+](C)Cc1cccc(CNC(=O)C2(N)CC3(CCC3)C2)c1 ZINC000662694031 425714159 /nfs/dbraw/zinc/71/41/59/425714159.db2.gz NXIWYBMUWGHYGY-UHFFFAOYSA-N 1 3 315.461 2.416 20 0 DEADHO CC[N@@H+](C)Cc1cccc(CNC(=O)C2(N)CC3(CCC3)C2)c1 ZINC000662694031 425714163 /nfs/dbraw/zinc/71/41/63/425714163.db2.gz NXIWYBMUWGHYGY-UHFFFAOYSA-N 1 3 315.461 2.416 20 0 DEADHO CC1CCN([C@H](CNC(=O)CC2([NH3+])CC2)c2ccccc2)CC1 ZINC000662691983 425714250 /nfs/dbraw/zinc/71/42/50/425714250.db2.gz MGSXHVHFKYRGKX-QGZVFWFLSA-N 1 3 315.461 2.457 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000660248155 425775455 /nfs/dbraw/zinc/77/54/55/425775455.db2.gz FFMKDAQVBHGDIT-OAHLLOKOSA-N 1 3 324.513 2.423 20 0 DEADHO CC(C)[C@@H](N)c1cn(C[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656468972 425775744 /nfs/dbraw/zinc/77/57/44/425775744.db2.gz XDIZCBYQTBJFKS-FUHWJXTLSA-N 1 3 313.449 2.456 20 0 DEADHO CC(C)[C@@H](N)c1cn(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656468972 425775747 /nfs/dbraw/zinc/77/57/47/425775747.db2.gz XDIZCBYQTBJFKS-FUHWJXTLSA-N 1 3 313.449 2.456 20 0 DEADHO CC1(C)CCCN[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663005951 425777240 /nfs/dbraw/zinc/77/72/40/425777240.db2.gz ZTWXOXAKWQTPCH-CVEARBPZSA-N 1 3 307.482 2.003 20 0 DEADHO CC1(C)CCCN[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663005951 425777243 /nfs/dbraw/zinc/77/72/43/425777243.db2.gz ZTWXOXAKWQTPCH-CVEARBPZSA-N 1 3 307.482 2.003 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000656537850 425788514 /nfs/dbraw/zinc/78/85/14/425788514.db2.gz QLNCFEOLUSOUMJ-HUUCEWRRSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000656537850 425788517 /nfs/dbraw/zinc/78/85/17/425788517.db2.gz QLNCFEOLUSOUMJ-HUUCEWRRSA-N 1 3 310.486 2.033 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662847011 425749222 /nfs/dbraw/zinc/74/92/22/425749222.db2.gz XJJQYIMXYRRNAU-SJORKVTESA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000662886382 425755975 /nfs/dbraw/zinc/75/59/75/425755975.db2.gz FTNRRSZSVSGJMZ-HZMVEIRTSA-N 1 3 307.482 2.144 20 0 DEADHO C[NH2+]CCc1ccccc1C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000662887552 425756974 /nfs/dbraw/zinc/75/69/74/425756974.db2.gz ZVLBFUZNNIGNOL-MRXNPFEDSA-N 1 3 317.477 2.299 20 0 DEADHO CN1CCCC[C@H]1CC[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000660472469 425819448 /nfs/dbraw/zinc/81/94/48/425819448.db2.gz LBQWGFFYGPJYKX-ROUUACIJSA-N 1 3 309.498 2.048 20 0 DEADHO CN1CCCC[C@H]1CC[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000660472469 425819449 /nfs/dbraw/zinc/81/94/49/425819449.db2.gz LBQWGFFYGPJYKX-ROUUACIJSA-N 1 3 309.498 2.048 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000236896066 268588050 /nfs/dbraw/zinc/58/80/50/268588050.db2.gz QQTUUILIGGMBPE-IKGGRYGDSA-N 1 3 309.498 2.474 20 0 DEADHO Cc1nc(CN(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cs1 ZINC000363479669 269066052 /nfs/dbraw/zinc/06/60/52/269066052.db2.gz JDBJQIKYOHGCTB-INIZCTEOSA-N 1 3 308.495 2.052 20 0 DEADHO CO[C@@H]1CCC[C@H]1N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423148639 269116020 /nfs/dbraw/zinc/11/60/20/269116020.db2.gz GIJDVFXDKRHMSI-ATLSCFEFSA-N 1 3 302.418 2.399 20 0 DEADHO CCC[N@H+](CC)CCNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433928255 269135737 /nfs/dbraw/zinc/13/57/37/269135737.db2.gz YBABSTLMCKATBH-MRXNPFEDSA-N 1 3 310.486 2.034 20 0 DEADHO CCC[N@@H+](CC)CCNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433928255 269135738 /nfs/dbraw/zinc/13/57/38/269135738.db2.gz YBABSTLMCKATBH-MRXNPFEDSA-N 1 3 310.486 2.034 20 0 DEADHO CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C[NH2+]CCCN2CCCC2)C1 ZINC000495961638 269188465 /nfs/dbraw/zinc/18/84/65/269188465.db2.gz MFZGBLKSMGZPOT-CRAIPNDOSA-N 1 3 323.481 2.319 20 0 DEADHO CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(CNCCC[NH+]2CCCC2)C1 ZINC000495961638 269188466 /nfs/dbraw/zinc/18/84/66/269188466.db2.gz MFZGBLKSMGZPOT-CRAIPNDOSA-N 1 3 323.481 2.319 20 0 DEADHO NC(=O)OC[C@H](Cc1ccccc1)[NH2+][C@H]1CCCCC[C@H]1N ZINC000496094248 269199657 /nfs/dbraw/zinc/19/96/57/269199657.db2.gz WITZUPLEGNMYPL-XHSDSOJGSA-N 1 3 305.422 2.357 20 0 DEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@@H](COC(N)=O)Cc1ccccc1 ZINC000496759640 269249028 /nfs/dbraw/zinc/24/90/28/269249028.db2.gz OOTYFYXBMLNXLE-BMFZPTHFSA-N 1 3 305.422 2.037 20 0 DEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@@H](COC(N)=O)Cc1ccccc1 ZINC000496759640 269249030 /nfs/dbraw/zinc/24/90/30/269249030.db2.gz OOTYFYXBMLNXLE-BMFZPTHFSA-N 1 3 305.422 2.037 20 0 DEADHO CCN1CC[C@H](C[NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000496895029 269263989 /nfs/dbraw/zinc/26/39/89/269263989.db2.gz WINUZCSCBVPEKC-CQSZACIVSA-N 1 3 311.470 2.223 20 0 DEADHO COC(=O)N1CCC(CN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000497085092 269284710 /nfs/dbraw/zinc/28/47/10/269284710.db2.gz WQLMDUWRXRVEES-HOCLYGCPSA-N 1 3 311.470 2.365 20 0 DEADHO C[N@@H+]1CC[C@H](N[C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H]2CCC[C@H]21 ZINC000497189000 269292032 /nfs/dbraw/zinc/29/20/32/269292032.db2.gz CJUBLEFHLZTRBO-XUWVNRHRSA-N 1 3 323.481 2.458 20 0 DEADHO C[N@H+]1CC[C@H](N[C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H]2CCC[C@H]21 ZINC000497189000 269292033 /nfs/dbraw/zinc/29/20/33/269292033.db2.gz CJUBLEFHLZTRBO-XUWVNRHRSA-N 1 3 323.481 2.458 20 0 DEADHO Cc1ncncc1[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000514615005 269325327 /nfs/dbraw/zinc/32/53/27/269325327.db2.gz REPUITPCXGTGBX-KFWWJZLASA-N 1 3 306.454 2.325 20 0 DEADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@@H](N)c1ccccc1 ZINC000515073090 269343132 /nfs/dbraw/zinc/34/31/32/269343132.db2.gz FIMNDBLUKGFGIH-NVXWUHKLSA-N 1 3 318.465 2.106 20 0 DEADHO COC(=O)[C@@H](C)Oc1ccc(CN2CCC(CC[NH3+])CC2)cc1 ZINC000516574404 269364273 /nfs/dbraw/zinc/36/42/73/269364273.db2.gz PXVDIAFMFGNKAB-CQSZACIVSA-N 1 3 320.433 2.188 20 0 DEADHO COc1ccc2c(c1)C[C@@H](NC[C@H]1CC[N@@H+](C3CC3)C1)CO2 ZINC000296060773 274125119 /nfs/dbraw/zinc/12/51/19/274125119.db2.gz RPAVBEUIOCBUST-UKRRQHHQSA-N 1 3 302.418 2.073 20 0 DEADHO COc1ccc2c(c1)C[C@@H](NC[C@H]1CC[N@H+](C3CC3)C1)CO2 ZINC000296060773 274125120 /nfs/dbraw/zinc/12/51/20/274125120.db2.gz RPAVBEUIOCBUST-UKRRQHHQSA-N 1 3 302.418 2.073 20 0 DEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000371505955 274356214 /nfs/dbraw/zinc/35/62/14/274356214.db2.gz NAMKMXBSXKQCJP-APWZRJJASA-N 1 3 314.477 2.144 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccccc2N(C)C)CC1 ZINC000093942393 276197260 /nfs/dbraw/zinc/19/72/60/276197260.db2.gz BXRROUUIMSWBKG-DLBZAZTESA-N 1 3 318.509 2.429 20 0 DEADHO CC1CCN([C@H](CNC(=O)C2(C)C[NH2+]C2)c2cccs2)CC1 ZINC000423309185 276199468 /nfs/dbraw/zinc/19/94/68/276199468.db2.gz POKLBBDRISQZOD-CQSZACIVSA-N 1 3 321.490 2.247 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)NC(C)(C)CC[NH3+])N(C)C)cc1 ZINC000422593364 276670180 /nfs/dbraw/zinc/67/01/80/276670180.db2.gz PVZKQKJEXPQXSE-MRXNPFEDSA-N 1 3 320.481 2.278 20 0 DEADHO CN1CCN(CC[NH2+]C[C@@H]2CCOc3ccccc32)CC1(C)C ZINC000376740957 277106190 /nfs/dbraw/zinc/10/61/90/277106190.db2.gz AUFMKUGOZKDIJQ-INIZCTEOSA-N 1 3 317.477 2.168 20 0 DEADHO C[C@@H](C(=O)NC1CCC(C)CC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357088791 277551390 /nfs/dbraw/zinc/55/13/90/277551390.db2.gz TWHIZVBUKCQHEB-HILOLKJVSA-N 1 3 321.509 2.391 20 0 DEADHO C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)[C@H](N)c1ccccc1 ZINC000178815552 278135535 /nfs/dbraw/zinc/13/55/35/278135535.db2.gz QPFIHTHLOVIRLV-OHFALNGGSA-N 1 3 303.450 2.264 20 0 DEADHO C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)[C@H](N)c1ccccc1 ZINC000178815552 278135537 /nfs/dbraw/zinc/13/55/37/278135537.db2.gz QPFIHTHLOVIRLV-OHFALNGGSA-N 1 3 303.450 2.264 20 0 DEADHO C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000484686516 278238378 /nfs/dbraw/zinc/23/83/78/278238378.db2.gz CASDKNINGNCSAD-YQQAZPJKSA-N 1 3 318.465 2.071 20 0 DEADHO C[C@@H](NCc1ccncc1OCC[NH+](C)C)[C@]1(C)CCCO1 ZINC000340401313 278359205 /nfs/dbraw/zinc/35/92/05/278359205.db2.gz LPKSAKCWMBWAOD-PBHICJAKSA-N 1 3 307.438 2.069 20 0 DEADHO CCCN(C(=O)NC[C@@H](N)c1ccccc1CC)[C@@H]1CC[NH2+]C1 ZINC000418644394 278745093 /nfs/dbraw/zinc/74/50/93/278745093.db2.gz CCPJCTFXXLRQJC-NVXWUHKLSA-N 1 3 318.465 2.032 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000354819089 279091961 /nfs/dbraw/zinc/09/19/61/279091961.db2.gz ZVXGRAHPHKHBFS-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000349631119 279093288 /nfs/dbraw/zinc/09/32/88/279093288.db2.gz NZHAYAMXSORGMV-HZPDHXFCSA-N 1 3 312.502 2.233 20 0 DEADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(C(N)=O)CC1 ZINC000344773643 279120770 /nfs/dbraw/zinc/12/07/70/279120770.db2.gz PBMRHGNBRYUYGU-HOCLYGCPSA-N 1 3 310.486 2.020 20 0 DEADHO C[C@@]1([NH3+])CCCC[C@H]1C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000361104540 279168914 /nfs/dbraw/zinc/16/89/14/279168914.db2.gz FJHSCLKHVBNQMF-WMLDXEAASA-N 1 3 303.406 2.015 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN(C)[C@H](C)C2CCCCC2)CC1 ZINC000338340905 279259260 /nfs/dbraw/zinc/25/92/60/279259260.db2.gz CIULNXDUTVRHAH-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000417586317 279269640 /nfs/dbraw/zinc/26/96/40/279269640.db2.gz QQIMUQISOPJUPT-SJORKVTESA-N 1 3 322.497 2.034 20 0 DEADHO CC(C)[C@@H](C(=O)NC1CCC([NH+](C)C)CC1)N1CCCCC1 ZINC000422013390 279782855 /nfs/dbraw/zinc/78/28/55/279782855.db2.gz XLFKTUWREXSUEP-JCYILVPMSA-N 1 3 309.498 2.486 20 0 DEADHO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)C12CCC2 ZINC000362032684 279822583 /nfs/dbraw/zinc/82/25/83/279822583.db2.gz PDFKUMSGWJMXJO-CGTJXYLNSA-N 1 3 321.509 2.092 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)N2CCC(C)CC2)CC1 ZINC000073099387 281539079 /nfs/dbraw/zinc/53/90/79/281539079.db2.gz UDKIHHPNIGPXQU-MRXNPFEDSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000290182357 288356682 /nfs/dbraw/zinc/35/66/82/288356682.db2.gz PRAZRFJCDWVSHC-NVXWUHKLSA-N 1 3 321.440 2.104 20 0 DEADHO CC1CCN([C@H](CNC(=O)[C@@H]2CC[NH2+]C2)c2ccccc2)CC1 ZINC000236660634 281836849 /nfs/dbraw/zinc/83/68/49/281836849.db2.gz ZZVTYVINOVRUGF-QZTJIDSGSA-N 1 3 315.461 2.185 20 0 DEADHO C[NH+](C)C1CCC(NC(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC000420908423 282047865 /nfs/dbraw/zinc/04/78/65/282047865.db2.gz UNVIGPLOIVUCLX-JCYILVPMSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H](C(=O)N1CC[C@H](N2CCCCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000341422115 289301874 /nfs/dbraw/zinc/30/18/74/289301874.db2.gz RQJTWTUAYNUFNG-TWMKSMIVSA-N 1 3 307.482 2.335 20 0 DEADHO C[C@H](C(=O)N1CC[C@H](N2CCCCC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000341422115 289301877 /nfs/dbraw/zinc/30/18/77/289301877.db2.gz RQJTWTUAYNUFNG-TWMKSMIVSA-N 1 3 307.482 2.335 20 0 DEADHO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N1CCC[C@@H](CC[NH3+])C1 ZINC000443057080 289328522 /nfs/dbraw/zinc/32/85/22/289328522.db2.gz FJHITXFJLCJFIW-OAGGEKHMSA-N 1 3 315.461 2.414 20 0 DEADHO C[C@H]1CCCCN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000176031858 290382341 /nfs/dbraw/zinc/38/23/41/290382341.db2.gz DPJIKQNPYMIOOT-RDJZCZTQSA-N 1 3 303.450 2.280 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H]2C[C@@H]2N)C1 ZINC000424138724 297228477 /nfs/dbraw/zinc/22/84/77/297228477.db2.gz URJHPKNWGCRHFI-DTDBQYNISA-N 1 3 315.461 2.128 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CCN1C ZINC000341183516 297273532 /nfs/dbraw/zinc/27/35/32/297273532.db2.gz AGVYFJXQCVXZQL-IXDOHACOSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000342763894 297543880 /nfs/dbraw/zinc/54/38/80/297543880.db2.gz FBZKDROMPUALMT-CGTJXYLNSA-N 1 3 315.461 2.328 20 0 DEADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000352154955 298269919 /nfs/dbraw/zinc/26/99/19/298269919.db2.gz RJXOOOCDLNTUQP-PVAVHDDUSA-N 1 3 324.513 2.231 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC[C@H](C)[NH3+])N(C)C ZINC000418162784 302201025 /nfs/dbraw/zinc/20/10/25/302201025.db2.gz CZEJHAVZLYEJRL-LZWOXQAQSA-N 1 3 306.454 2.023 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H](C)CC[NH3+])N(C)C ZINC000418176446 302204981 /nfs/dbraw/zinc/20/49/81/302204981.db2.gz HAJLBMBVAIPYNQ-DZKIICNBSA-N 1 3 306.454 2.023 20 0 DEADHO Fc1cccc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1F ZINC000422957636 303134244 /nfs/dbraw/zinc/13/42/44/303134244.db2.gz NUELONXRZGIDKE-NUEKZKHPSA-N 1 3 310.388 2.254 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000237874018 303457091 /nfs/dbraw/zinc/45/70/91/303457091.db2.gz VKOKNRFQTCAASX-KURKYZTESA-N 1 3 315.461 2.457 20 0 DEADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000372430851 303803601 /nfs/dbraw/zinc/80/36/01/303803601.db2.gz IIBKMHRFCWIKCG-VBQJREDUSA-N 1 3 319.474 2.001 20 0 DEADHO NCc1cn([C@@H]2CCC[N@H+](Cc3ccnc4ccccc34)C2)nn1 ZINC000573305780 326043112 /nfs/dbraw/zinc/04/31/12/326043112.db2.gz WITYSGFFHFHAPA-MRXNPFEDSA-N 1 3 322.416 2.122 20 0 DEADHO NCc1cn([C@@H]2CCC[N@@H+](Cc3ccnc4ccccc34)C2)nn1 ZINC000573305780 326043115 /nfs/dbraw/zinc/04/31/15/326043115.db2.gz WITYSGFFHFHAPA-MRXNPFEDSA-N 1 3 322.416 2.122 20 0 DEADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1CNCc2ccccc21 ZINC000573805450 326094269 /nfs/dbraw/zinc/09/42/69/326094269.db2.gz BXYMDRRMKXMBPV-FUHWJXTLSA-N 1 3 315.461 2.206 20 0 DEADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]1CNCc2ccccc21 ZINC000573805450 326094271 /nfs/dbraw/zinc/09/42/71/326094271.db2.gz BXYMDRRMKXMBPV-FUHWJXTLSA-N 1 3 315.461 2.206 20 0 DEADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cnc(C2CC2)s1 ZINC000574240755 326136240 /nfs/dbraw/zinc/13/62/40/326136240.db2.gz PNFQCQBRSDLVMR-UHFFFAOYSA-N 1 3 322.522 2.478 20 0 DEADHO C[C@H]1CN(CCC[NH2+]Cc2ccc3[nH]cnc3c2)CCCO1 ZINC000574557931 326166089 /nfs/dbraw/zinc/16/60/89/326166089.db2.gz JWBBMYPIUHIYBY-AWEZNQCLSA-N 1 3 302.422 2.153 20 0 DEADHO C[C@H]1CN(CCC[NH2+]Cc2ccc3nc[nH]c3c2)CCCO1 ZINC000574557931 326166091 /nfs/dbraw/zinc/16/60/91/326166091.db2.gz JWBBMYPIUHIYBY-AWEZNQCLSA-N 1 3 302.422 2.153 20 0 DEADHO C[C@@H](NC(C)(C)CNC(=O)CC[NH2+]C1CC1)c1ccccc1 ZINC000577124759 326344650 /nfs/dbraw/zinc/34/46/50/326344650.db2.gz RGMZMSIKUUYBHA-CQSZACIVSA-N 1 3 303.450 2.374 20 0 DEADHO CC1CCC(O)(CNC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000577365832 326360728 /nfs/dbraw/zinc/36/07/28/326360728.db2.gz IXHIAZRSBHEVQZ-BEVRRMAYSA-N 1 3 324.509 2.285 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000577363681 326360756 /nfs/dbraw/zinc/36/07/56/326360756.db2.gz FMDOMADWCKGFEY-QGZVFWFLSA-N 1 3 307.482 2.275 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000584288473 332215522 /nfs/dbraw/zinc/21/55/22/332215522.db2.gz OLYICKBZESKTRW-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H](NC(=O)[C@@H](N)C1CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000399156478 337314115 /nfs/dbraw/zinc/31/41/15/337314115.db2.gz BQLRRFPOXSLDPR-QGTPRVQTSA-N 1 3 315.461 2.141 20 0 DEADHO C[C@H](NC(=O)[C@@H](N)C1CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000399156478 337314116 /nfs/dbraw/zinc/31/41/16/337314116.db2.gz BQLRRFPOXSLDPR-QGTPRVQTSA-N 1 3 315.461 2.141 20 0 DEADHO C[C@H](NC(=O)[C@H](N)C1CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000399156477 337314135 /nfs/dbraw/zinc/31/41/35/337314135.db2.gz BQLRRFPOXSLDPR-JCGIZDLHSA-N 1 3 315.461 2.141 20 0 DEADHO C[C@H](NC(=O)[C@H](N)C1CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000399156477 337314136 /nfs/dbraw/zinc/31/41/36/337314136.db2.gz BQLRRFPOXSLDPR-JCGIZDLHSA-N 1 3 315.461 2.141 20 0 DEADHO O=C(CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)Nc1ccccn1 ZINC000584404622 337319845 /nfs/dbraw/zinc/31/98/45/337319845.db2.gz BVEDKIJYKPLIPI-OWCLPIDISA-N 1 3 316.449 2.311 20 0 DEADHO CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001376281058 1159311304 /nfs/dbraw/zinc/31/13/04/1159311304.db2.gz IEELVABNNPNVSO-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@@H](C(=O)N[C@@](C)(C[NH2+]Cc1ccsc1)C1CC1)N(C)C ZINC001378437215 1152328509 /nfs/dbraw/zinc/32/85/09/1152328509.db2.gz VUAXOCGUNNIXTA-RDJZCZTQSA-N 1 3 323.506 2.463 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001378636284 1152402674 /nfs/dbraw/zinc/40/26/74/1152402674.db2.gz LCGODIJFDNKBCK-KBPBESRZSA-N 1 3 319.440 2.104 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](C)CC1CCCCC1 ZINC001399658835 1161507953 /nfs/dbraw/zinc/50/79/53/1161507953.db2.gz YUUORAFOGCYPOW-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](C)CC1CCCCC1 ZINC001399658835 1161507957 /nfs/dbraw/zinc/50/79/57/1161507957.db2.gz YUUORAFOGCYPOW-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)C1CNC1 ZINC000422716875 533809637 /nfs/dbraw/zinc/80/96/37/533809637.db2.gz KDUUSHPOKIRMLL-LBPRGKRZSA-N 1 3 309.404 2.127 20 0 DEADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C[C@@H](N)c1ccccc1 ZINC000448225300 533826404 /nfs/dbraw/zinc/82/64/04/533826404.db2.gz MLCRPRWVXCOVJF-HLLBOEOZSA-N 1 3 303.450 2.456 20 0 DEADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C[C@@H](N)c1ccccc1 ZINC000448225300 533826407 /nfs/dbraw/zinc/82/64/07/533826407.db2.gz MLCRPRWVXCOVJF-HLLBOEOZSA-N 1 3 303.450 2.456 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC1(C[NH2+]CC2CC2)CCCC1 ZINC001400911634 1161844737 /nfs/dbraw/zinc/84/47/37/1161844737.db2.gz REBFFWDQVVBMCZ-INIZCTEOSA-N 1 3 307.482 2.288 20 0 DEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCc1ccc2c(c1)OCCO2 ZINC000422930055 534071945 /nfs/dbraw/zinc/07/19/45/534071945.db2.gz RYWARKXQQBPXQF-GDBMZVCRSA-N 1 3 304.434 2.368 20 0 DEADHO C[C@H](CNC(=O)NCCN1CCCC(C)(C)C1)C[NH+]1CCCC1 ZINC000445268886 534103060 /nfs/dbraw/zinc/10/30/60/534103060.db2.gz UZPDHXDQGYFSEA-MRXNPFEDSA-N 1 3 324.513 2.140 20 0 DEADHO C[C@H](C[NH2+]CC1CCC2(CC2)CC1)N(C)C(=O)CN1CCCC1 ZINC001378854961 1152468890 /nfs/dbraw/zinc/46/88/90/1152468890.db2.gz RCAQCLFWDSQUPA-MRXNPFEDSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCCC2)C1)N(C)C ZINC001378874255 1152475153 /nfs/dbraw/zinc/47/51/53/1152475153.db2.gz UJJLAOKWEZNRBV-BRWVUGGUSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1ccoc1C(=O)NCCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422916761 534439630 /nfs/dbraw/zinc/43/96/30/534439630.db2.gz DZTCCSIHTUABBI-BZUAXINKSA-N 1 3 319.449 2.218 20 0 DEADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000338458740 519861588 /nfs/dbraw/zinc/86/15/88/519861588.db2.gz RCUDCXAXGKBRNX-SJORKVTESA-N 1 3 324.513 2.138 20 0 DEADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000338458740 519861589 /nfs/dbraw/zinc/86/15/89/519861589.db2.gz RCUDCXAXGKBRNX-SJORKVTESA-N 1 3 324.513 2.138 20 0 DEADHO CC[N@H+](C)CCNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000338460385 520234265 /nfs/dbraw/zinc/23/42/65/520234265.db2.gz FGZNGKZMCZOPHU-WBVHZDCISA-N 1 3 318.465 2.073 20 0 DEADHO CC[N@@H+](C)CCNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000338460385 520234271 /nfs/dbraw/zinc/23/42/71/520234271.db2.gz FGZNGKZMCZOPHU-WBVHZDCISA-N 1 3 318.465 2.073 20 0 DEADHO CC[NH+](CC)CCCNC(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000337369570 520614300 /nfs/dbraw/zinc/61/43/00/520614300.db2.gz OJWJRAHFFNEMCV-HOTGVXAUSA-N 1 3 312.502 2.280 20 0 DEADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCC1(NCCC(F)(F)F)CC1 ZINC001401946414 1162192624 /nfs/dbraw/zinc/19/26/24/1162192624.db2.gz GMBCMYQOLILFIL-LBPRGKRZSA-N 1 3 321.387 2.052 20 0 DEADHO C[N@H+]1CCC[C@H]1CCC(=O)NCC1(NCCC(F)(F)F)CC1 ZINC001401946414 1162192627 /nfs/dbraw/zinc/19/26/27/1162192627.db2.gz GMBCMYQOLILFIL-LBPRGKRZSA-N 1 3 321.387 2.052 20 0 DEADHO CC[NH+](CC)CCO[C@H]1CCN(CCc2c(C)noc2C)C1 ZINC000339666285 520696640 /nfs/dbraw/zinc/69/66/40/520696640.db2.gz SXEMHSPMBKQHHM-INIZCTEOSA-N 1 3 309.454 2.267 20 0 DEADHO CCCN(C)CC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000338381283 521477822 /nfs/dbraw/zinc/47/78/22/521477822.db2.gz TVDXSOADMGPAHM-UHFFFAOYSA-N 1 3 305.466 2.355 20 0 DEADHO CCCN(C)CC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000338381283 521477834 /nfs/dbraw/zinc/47/78/34/521477834.db2.gz TVDXSOADMGPAHM-UHFFFAOYSA-N 1 3 305.466 2.355 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]C[C@@H]2CCCN2CC)[C@@H](C)C1 ZINC000156563980 521707198 /nfs/dbraw/zinc/70/71/98/521707198.db2.gz BHMBHYKJESDISH-OKZBNKHCSA-N 1 3 311.514 2.197 20 0 DEADHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000422846809 534710730 /nfs/dbraw/zinc/71/07/30/534710730.db2.gz QGZMOHPEFBWFSR-SJORKVTESA-N 1 3 310.401 2.303 20 0 DEADHO CC(C)C[N@H+](C)CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001378924560 1152493172 /nfs/dbraw/zinc/49/31/72/1152493172.db2.gz WYVUNCNYDCWETJ-UHFFFAOYSA-N 1 3 306.454 2.169 20 0 DEADHO CC(C)C[N@@H+](C)CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001378924560 1152493174 /nfs/dbraw/zinc/49/31/74/1152493174.db2.gz WYVUNCNYDCWETJ-UHFFFAOYSA-N 1 3 306.454 2.169 20 0 DEADHO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC(C[NH+](C)C)CC1 ZINC000354389071 524146462 /nfs/dbraw/zinc/14/64/62/524146462.db2.gz OVBHWXJWESQKGN-XHSDSOJGSA-N 1 3 309.498 2.153 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCC(C)CC1 ZINC000338265532 524426524 /nfs/dbraw/zinc/42/65/24/524426524.db2.gz SSJRDCLKUNVADP-ZACQAIPSSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CCC(C)CC1 ZINC000338265532 524426535 /nfs/dbraw/zinc/42/65/35/524426535.db2.gz SSJRDCLKUNVADP-ZACQAIPSSA-N 1 3 322.497 2.033 20 0 DEADHO CN(CCF)C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001378931175 1152495763 /nfs/dbraw/zinc/49/57/63/1152495763.db2.gz BZEGAKVSLDMYQO-UHFFFAOYSA-N 1 3 313.461 2.145 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C23CCCN2CCC3)C1 ZINC000339253021 525379907 /nfs/dbraw/zinc/37/99/07/525379907.db2.gz ZZQQGVBXXHZSOC-IYBDPMFKSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C23CCCN2CCC3)C1 ZINC000339253021 525379917 /nfs/dbraw/zinc/37/99/17/525379917.db2.gz ZZQQGVBXXHZSOC-IYBDPMFKSA-N 1 3 321.509 2.488 20 0 DEADHO C(C[NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1)COC[C@@H]1CCOC1 ZINC000422776156 527485917 /nfs/dbraw/zinc/48/59/17/527485917.db2.gz DEXOQKYUMKYZAG-FJIDUMEYSA-N 1 3 310.482 2.330 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)C[C@@H]1C ZINC000441291503 527824206 /nfs/dbraw/zinc/82/42/06/527824206.db2.gz WSUHIOMGQDYKDF-MPTYRVRUSA-N 1 3 322.497 2.126 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)C[C@@H]1C ZINC000441291503 527824207 /nfs/dbraw/zinc/82/42/07/527824207.db2.gz WSUHIOMGQDYKDF-MPTYRVRUSA-N 1 3 322.497 2.126 20 0 DEADHO CC(C)OC1CC(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000189547018 527879144 /nfs/dbraw/zinc/87/91/44/527879144.db2.gz UTDYYPCNSWMNCY-HIEASXQVSA-N 1 3 310.482 2.300 20 0 DEADHO CCO[C@@H]1C[C@H](N[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C12CCCC2 ZINC000422804174 527950262 /nfs/dbraw/zinc/95/02/62/527950262.db2.gz KHXBFQODCDHKBC-IECFSIQFSA-N 1 3 322.493 2.471 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)NCCC[NH2+]C2CC2)cc1 ZINC000418293291 528143174 /nfs/dbraw/zinc/14/31/74/528143174.db2.gz ZWQDZWGESDIEQN-QGZVFWFLSA-N 1 3 318.465 2.251 20 0 DEADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C[C@H]1COCCN1 ZINC000422840541 528171904 /nfs/dbraw/zinc/17/19/04/528171904.db2.gz TXZOCMNXBLLOKP-OWSLCNJRSA-N 1 3 311.514 2.244 20 0 DEADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000447953771 528251935 /nfs/dbraw/zinc/25/19/35/528251935.db2.gz JRCSGCNARNRWEK-JKSUJKDBSA-N 1 3 324.513 2.138 20 0 DEADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000447953771 528251939 /nfs/dbraw/zinc/25/19/39/528251939.db2.gz JRCSGCNARNRWEK-JKSUJKDBSA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)C[C@@H](C[NH3+])NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000418445969 528297130 /nfs/dbraw/zinc/29/71/30/528297130.db2.gz PDUYMNRZBGSCQZ-KRWDZBQOSA-N 1 3 320.481 2.133 20 0 DEADHO CCC[NH2+][C@@H](C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000294726658 528542074 /nfs/dbraw/zinc/54/20/74/528542074.db2.gz IOJLLAQBHYFXFU-UONOGXRCSA-N 1 3 309.479 2.389 20 0 DEADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(N)CCC1 ZINC000295025892 528752727 /nfs/dbraw/zinc/75/27/27/528752727.db2.gz CSGZGTHLQLORCY-KRWDZBQOSA-N 1 3 315.461 2.238 20 0 DEADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1(N)CCC1 ZINC000295025892 528752733 /nfs/dbraw/zinc/75/27/33/528752733.db2.gz CSGZGTHLQLORCY-KRWDZBQOSA-N 1 3 315.461 2.238 20 0 DEADHO CCCC[C@H](C[NH3+])NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000417993519 528946840 /nfs/dbraw/zinc/94/68/40/528946840.db2.gz XVOAWTDQCXASTH-NVXWUHKLSA-N 1 3 320.481 2.324 20 0 DEADHO CCS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCCC[C@@H]2CN)c1 ZINC000423101651 529169421 /nfs/dbraw/zinc/16/94/21/529169421.db2.gz NTRRQYZFAGMDKI-GDBMZVCRSA-N 1 3 310.463 2.087 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCCC[C@@H]1C[NH3+])c1ccco1 ZINC000418165459 529181690 /nfs/dbraw/zinc/18/16/90/529181690.db2.gz JNQPJQFDKZMSRH-ZNMIVQPWSA-N 1 3 322.453 2.232 20 0 DEADHO CC(C)[C@H](C[N@@H+]1CC[C@@H](N2CCNCC2)C1)c1ccccc1 ZINC000348972466 534991316 /nfs/dbraw/zinc/99/13/16/534991316.db2.gz DPXJCPVLZLCVHQ-MOPGFXCFSA-N 1 3 301.478 2.406 20 0 DEADHO CC(C)[C@H](C[N@H+]1CC[C@@H](N2CCNCC2)C1)c1ccccc1 ZINC000348972466 534991321 /nfs/dbraw/zinc/99/13/21/534991321.db2.gz DPXJCPVLZLCVHQ-MOPGFXCFSA-N 1 3 301.478 2.406 20 0 DEADHO CC(C)N1CCN(CCC[NH+]2CCC([C@H]3CCCO3)CC2)CC1 ZINC000192840983 535199038 /nfs/dbraw/zinc/19/90/38/535199038.db2.gz SNUMBAFCAUYHMR-LJQANCHMSA-N 1 3 323.525 2.294 20 0 DEADHO CCC[C@@](C)(N)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000262712218 535523178 /nfs/dbraw/zinc/52/31/78/535523178.db2.gz RQOSZPUFZVILQX-SJLPKXTDSA-N 1 3 309.498 2.474 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cncc(F)c1 ZINC000349037023 535595212 /nfs/dbraw/zinc/59/52/12/535595212.db2.gz QOILPJRYIQTJPM-KRWDZBQOSA-N 1 3 308.445 2.069 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cncc(F)c1 ZINC000349037023 535595219 /nfs/dbraw/zinc/59/52/19/535595219.db2.gz QOILPJRYIQTJPM-KRWDZBQOSA-N 1 3 308.445 2.069 20 0 DEADHO CCN1CCN(CCCC[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000245932788 535693630 /nfs/dbraw/zinc/69/36/30/535693630.db2.gz SSNHCAGVUOMSDG-RCCFBDPRSA-N 1 3 323.525 2.197 20 0 DEADHO CN(C)CCN1CCC([NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000348260639 535872568 /nfs/dbraw/zinc/87/25/68/535872568.db2.gz CWERZUNDSDOGHR-MJGOQNOKSA-N 1 3 301.478 2.406 20 0 DEADHO CN(C)Cc1cccc(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)c1 ZINC000349043272 536029185 /nfs/dbraw/zinc/02/91/85/536029185.db2.gz CPXOJTMJOBGRTM-INIZCTEOSA-N 1 3 324.428 2.212 20 0 DEADHO CN(C)Cc1ccccc1CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000263145488 536046701 /nfs/dbraw/zinc/04/67/01/536046701.db2.gz CRMCWMRYQTZEDZ-AEFFLSMTSA-N 1 3 303.450 2.272 20 0 DEADHO CCc1ccc(CN2CC[N@@H+](C3CCN(C)CC3)[C@H](C)C2)o1 ZINC000349331553 536175766 /nfs/dbraw/zinc/17/57/66/536175766.db2.gz LOMFEEAMWNUNHF-OAHLLOKOSA-N 1 3 305.466 2.442 20 0 DEADHO CCc1ccc(CN2CC[N@H+](C3CCN(C)CC3)[C@H](C)C2)o1 ZINC000349331553 536175769 /nfs/dbraw/zinc/17/57/69/536175769.db2.gz LOMFEEAMWNUNHF-OAHLLOKOSA-N 1 3 305.466 2.442 20 0 DEADHO CN1CCC[C@H](CNC(=O)CC(C)(C)[NH3+])[C@H]1c1cccs1 ZINC000372105982 536385667 /nfs/dbraw/zinc/38/56/67/536385667.db2.gz TXOMLFAAWDOXPU-DOMZBBRYSA-N 1 3 309.479 2.375 20 0 DEADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H](CN)c1ccc(F)cc1 ZINC000358850297 536403334 /nfs/dbraw/zinc/40/33/34/536403334.db2.gz DPBSCWLOKXEKQF-DLBZAZTESA-N 1 3 321.440 2.201 20 0 DEADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@H](CN)c1ccc(F)cc1 ZINC000358850297 536403337 /nfs/dbraw/zinc/40/33/37/536403337.db2.gz DPBSCWLOKXEKQF-DLBZAZTESA-N 1 3 321.440 2.201 20 0 DEADHO COCCOc1ccc(CN2CCC([C@H](C)[NH3+])CC2)cc1OC ZINC000347115180 536618858 /nfs/dbraw/zinc/61/88/58/536618858.db2.gz SXLINIDJWKKKTI-AWEZNQCLSA-N 1 3 322.449 2.280 20 0 DEADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+]C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001368722945 1148616282 /nfs/dbraw/zinc/61/62/82/1148616282.db2.gz MGQKAJSRLJUJMS-BFHYXJOUSA-N 1 3 319.440 2.246 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)cc2)[C@@H]1C ZINC001379561422 1152643225 /nfs/dbraw/zinc/64/32/25/1152643225.db2.gz APXQRKMVFKIVAY-WMLDXEAASA-N 1 3 321.440 2.247 20 0 DEADHO CN(C)CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1CCCC1 ZINC001361927933 1152778098 /nfs/dbraw/zinc/77/80/98/1152778098.db2.gz JUHSRQGKFBJEEF-WBVHZDCISA-N 1 3 309.498 2.440 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@]1(C)CCC[N@@H+](C(C)C)C1 ZINC001380475231 1152818386 /nfs/dbraw/zinc/81/83/86/1152818386.db2.gz XZBAORKQEGPTQG-AEFFLSMTSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@]1(C)CCC[N@H+](C(C)C)C1 ZINC001380475231 1152818387 /nfs/dbraw/zinc/81/83/87/1152818387.db2.gz XZBAORKQEGPTQG-AEFFLSMTSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1[NH2+]CCC1CC1 ZINC001381098686 1152907691 /nfs/dbraw/zinc/90/76/91/1152907691.db2.gz CNYSYEYQAKNTMS-HOCLYGCPSA-N 1 3 309.498 2.201 20 0 DEADHO COc1ccc([C@H](CCO)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000893266834 625342940 /nfs/dbraw/zinc/34/29/40/625342940.db2.gz USGPEGHQOXQUSV-MMNRESRNSA-N 1 3 304.434 2.334 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CC3CCCC3)C2)CC1 ZINC000972612171 625355122 /nfs/dbraw/zinc/35/51/22/625355122.db2.gz IOQRBBIAECECKR-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CC3CCCC3)C2)CC1 ZINC000972612171 625355130 /nfs/dbraw/zinc/35/51/30/625355130.db2.gz IOQRBBIAECECKR-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO [NH3+][C@@H]1C[C@H](N[C@H]2CCN(c3ccc(F)cc3F)C2)C12CCC2 ZINC000925559398 625364767 /nfs/dbraw/zinc/36/47/67/625364767.db2.gz XUWVEKOPFGMCPS-MAZHCROVSA-N 1 3 307.388 2.403 20 0 DEADHO [NH3+][C@@H]1C[C@@H](N[C@H]2CCN(c3ccc(F)cc3F)C2)C12CCC2 ZINC000925559371 625364815 /nfs/dbraw/zinc/36/48/15/625364815.db2.gz XUWVEKOPFGMCPS-APHBMKBZSA-N 1 3 307.388 2.403 20 0 DEADHO CCCCN1CCC([NH2+][C@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000892687690 625381138 /nfs/dbraw/zinc/38/11/38/625381138.db2.gz QTGYKOPPYOEELU-CVEARBPZSA-N 1 3 314.445 2.474 20 0 DEADHO CCNC(=O)C1(C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)CCC1 ZINC000925651099 625515538 /nfs/dbraw/zinc/51/55/38/625515538.db2.gz WHJADRMIUYXTIP-HOTGVXAUSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CCCCCCO)CC1 ZINC000175755858 622759175 /nfs/dbraw/zinc/75/91/75/622759175.db2.gz RHCOFCGZWHNOQM-QZTJIDSGSA-N 1 3 311.514 2.030 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCCC2)C1 ZINC000969794135 622924357 /nfs/dbraw/zinc/92/43/57/622924357.db2.gz VOAQNZJJJXCQFY-QAPCUYQASA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCc2ccccc2)C1)N(C)C ZINC000969844634 622948927 /nfs/dbraw/zinc/94/89/27/622948927.db2.gz MFTJRRNDGKZXTK-QZTJIDSGSA-N 1 3 317.477 2.006 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC[C@@H]([NH2+]CC3CCCCC3)C2)C1 ZINC000969968004 623030042 /nfs/dbraw/zinc/03/00/42/623030042.db2.gz LRKFTXLLAULOKS-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CC[NH2+]C[C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001024156100 625641724 /nfs/dbraw/zinc/64/17/24/625641724.db2.gz IDDNZGRTCVRUPH-RHSMWYFYSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCCF)C1 ZINC000970528736 623522028 /nfs/dbraw/zinc/52/20/28/623522028.db2.gz JGPFDCNLGGXXLH-HOCLYGCPSA-N 1 3 313.461 2.045 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCC2CC2)C1 ZINC001021380447 623577779 /nfs/dbraw/zinc/57/77/79/623577779.db2.gz GVSAFXMUTCLKIX-CCNLRDMRSA-N 1 3 319.493 2.240 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC2CC2)C1 ZINC001021380447 623577783 /nfs/dbraw/zinc/57/77/83/623577783.db2.gz GVSAFXMUTCLKIX-CCNLRDMRSA-N 1 3 319.493 2.240 20 0 DEADHO CC[NH2+]C[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001024276456 625685485 /nfs/dbraw/zinc/68/54/85/625685485.db2.gz HHQYIKGEVDDPBL-MRXNPFEDSA-N 1 3 303.450 2.210 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021679713 623946362 /nfs/dbraw/zinc/94/63/62/623946362.db2.gz RGBMVABFFIHWNA-RDJZCZTQSA-N 1 3 318.465 2.311 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021679713 623946367 /nfs/dbraw/zinc/94/63/67/623946367.db2.gz RGBMVABFFIHWNA-RDJZCZTQSA-N 1 3 318.465 2.311 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CCC2CCCC2)C1 ZINC000971200324 624068114 /nfs/dbraw/zinc/06/81/14/624068114.db2.gz GQDLUWMWBABTCI-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCC2CCCC2)C1 ZINC000971200324 624068115 /nfs/dbraw/zinc/06/81/15/624068115.db2.gz GQDLUWMWBABTCI-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO CCC(CC)[NH2+]CCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000891474985 624211001 /nfs/dbraw/zinc/21/10/01/624211001.db2.gz AKTAFLVCWZKWFM-QGZVFWFLSA-N 1 3 320.481 2.367 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)C1CC1 ZINC000971685487 624505410 /nfs/dbraw/zinc/50/54/10/624505410.db2.gz NGKGPRZDESUNHH-MSOLQXFVSA-N 1 3 315.461 2.060 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)C1CC1 ZINC000971685487 624505412 /nfs/dbraw/zinc/50/54/12/624505412.db2.gz NGKGPRZDESUNHH-MSOLQXFVSA-N 1 3 315.461 2.060 20 0 DEADHO CN(CCCCCC[NH3+])C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000891864073 624633614 /nfs/dbraw/zinc/63/36/14/624633614.db2.gz FXWQIFYKHFWUOM-OAHLLOKOSA-N 1 3 312.502 2.267 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@@H]2C[C@H]([NH2+]CC3CCC(C)CC3)C2)C1 ZINC001022715793 624868464 /nfs/dbraw/zinc/86/84/64/624868464.db2.gz MXANRUKSCQESCH-GNBAHCQZSA-N 1 3 321.509 2.391 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2)C1)N(C)C ZINC000972355432 624939762 /nfs/dbraw/zinc/93/97/62/624939762.db2.gz WBCFIJHTQNURPG-MSOLQXFVSA-N 1 3 317.477 2.368 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2)C1)N(C)C ZINC000972355432 624939764 /nfs/dbraw/zinc/93/97/64/624939764.db2.gz WBCFIJHTQNURPG-MSOLQXFVSA-N 1 3 317.477 2.368 20 0 DEADHO CN1CC[C@@]2(CC[N@H+](C[C@H](O)COc3ccc(Cl)cc3)C2)C1 ZINC000292047046 625026228 /nfs/dbraw/zinc/02/62/28/625026228.db2.gz BDDVCSYLFKQYIV-DOTOQJQBSA-N 1 3 324.852 2.107 20 0 DEADHO CN1CC[C@@]2(CC[N@@H+](C[C@H](O)COc3ccc(Cl)cc3)C2)C1 ZINC000292047046 625026234 /nfs/dbraw/zinc/02/62/34/625026234.db2.gz BDDVCSYLFKQYIV-DOTOQJQBSA-N 1 3 324.852 2.107 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001023025036 625138339 /nfs/dbraw/zinc/13/83/39/625138339.db2.gz RQFSUJNZXNUUQS-DVMLXDCBSA-N 1 3 318.465 2.324 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CCCF)C1 ZINC001023366173 625240937 /nfs/dbraw/zinc/24/09/37/625240937.db2.gz OUFZAQULVQYGPA-JKSUJKDBSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCCF)C1 ZINC001023366173 625240941 /nfs/dbraw/zinc/24/09/41/625240941.db2.gz OUFZAQULVQYGPA-JKSUJKDBSA-N 1 3 313.461 2.047 20 0 DEADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CC4CCC4)[C@H]3C2)CCC1 ZINC001026282002 625255047 /nfs/dbraw/zinc/25/50/47/625255047.db2.gz LYOWVZDQJGQCOE-ULQDDVLXSA-N 1 3 319.493 2.097 20 0 DEADHO C[C@H](NC1CN(c2ccncn2)C1)c1cccc(C[NH+](C)C)c1 ZINC000926793485 625256977 /nfs/dbraw/zinc/25/69/77/625256977.db2.gz PDJJOKSCNHPVNV-AWEZNQCLSA-N 1 3 311.433 2.078 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C)c2)C1)N(C)C ZINC000999490727 634619993 /nfs/dbraw/zinc/61/99/93/634619993.db2.gz SGVQOSFQPAORTK-QZTJIDSGSA-N 1 3 317.477 2.416 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1)N(C)C ZINC001000105514 634747231 /nfs/dbraw/zinc/74/72/31/634747231.db2.gz QLCUKEGQFOTHBH-QZTJIDSGSA-N 1 3 317.477 2.353 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001000195954 634784526 /nfs/dbraw/zinc/78/45/26/634784526.db2.gz BMXYPEHJQBELHH-AEFFLSMTSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CC3CCCC3)C2)C1 ZINC001000189199 634783313 /nfs/dbraw/zinc/78/33/13/634783313.db2.gz DESIZRNQGVKEOT-DOTOQJQBSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001000195722 634785259 /nfs/dbraw/zinc/78/52/59/634785259.db2.gz ZUHSRSLSIYJVIG-WMZOPIPTSA-N 1 3 319.493 2.409 20 0 DEADHO CC(C)[NH2+][C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC1(C)C ZINC000995821837 633123337 /nfs/dbraw/zinc/12/33/37/633123337.db2.gz KFMJQNQOYTXFSY-HNNXBMFYSA-N 1 3 309.498 2.486 20 0 DEADHO CC1CC(C[NH2+][C@H]2CN(C(=O)CN(C)C3CCC3)CC2(C)C)C1 ZINC000995919281 633139808 /nfs/dbraw/zinc/13/98/08/633139808.db2.gz PLVWHPUFROVSRD-DQPZFDDXSA-N 1 3 321.509 2.343 20 0 DEADHO CN(CC(=O)N1CC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1)C1CCC1 ZINC001026888348 633248330 /nfs/dbraw/zinc/24/83/30/633248330.db2.gz DNCGFHQLEGKDEQ-HNNXBMFYSA-N 1 3 321.509 2.345 20 0 DEADHO C[NH+](C)Cc1ccc(C(=O)N2C[C@@H](NCCF)C(C)(C)C2)cc1 ZINC000996414562 633256336 /nfs/dbraw/zinc/25/63/36/633256336.db2.gz OSMHCJCSCXLJDM-MRXNPFEDSA-N 1 3 321.440 2.158 20 0 DEADHO Cc1ccc(NC(=S)NCCC[NH+](C)C)c(CN(C)C)c1 ZINC000733752206 633281188 /nfs/dbraw/zinc/28/11/88/633281188.db2.gz RWTCTEOZOPQTNL-UHFFFAOYSA-N 1 3 308.495 2.295 20 0 DEADHO CC(C)C[N@@H+]1C[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974861570 633336556 /nfs/dbraw/zinc/33/65/56/633336556.db2.gz HOQLXWFSGKWWQR-IRXDYDNUSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)C[N@H+]1C[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974861570 633336562 /nfs/dbraw/zinc/33/65/62/633336562.db2.gz HOQLXWFSGKWWQR-IRXDYDNUSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]Cc2ccsc2)CC1)N(C)C ZINC000996697075 633353013 /nfs/dbraw/zinc/35/30/13/633353013.db2.gz QWUTVCYZRVUUIL-INIZCTEOSA-N 1 3 323.506 2.415 20 0 DEADHO CC[C@H](C(=O)N1CCC([NH2+]CCc2ccccc2)CC1)N(C)C ZINC000996714041 633366579 /nfs/dbraw/zinc/36/65/79/633366579.db2.gz ZZVXZGDEKYZJPL-GOSISDBHSA-N 1 3 317.477 2.150 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]Cc3ccsc3)C2)C1 ZINC001027065089 633386072 /nfs/dbraw/zinc/38/60/72/633386072.db2.gz QXPUXAWJUOXASI-HUUCEWRRSA-N 1 3 321.490 2.028 20 0 DEADHO CC1CC(C[NH2+]C[C@H]2CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001027139313 633455404 /nfs/dbraw/zinc/45/54/04/633455404.db2.gz FZZYXPRPFQGUKJ-LXPRWKDFSA-N 1 3 321.509 2.203 20 0 DEADHO CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC000997332725 633702336 /nfs/dbraw/zinc/70/23/36/633702336.db2.gz IIVRDGDOGSCISN-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CCC2CC2)C1)N(C)C ZINC001027562977 634150714 /nfs/dbraw/zinc/15/07/14/634150714.db2.gz CDVRUALJMZFGDS-IAGOWNOFSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CC2)C1)N(C)C ZINC001027562977 634150719 /nfs/dbraw/zinc/15/07/19/634150719.db2.gz CDVRUALJMZFGDS-IAGOWNOFSA-N 1 3 309.498 2.296 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([N@H+](C)CCC3CC3)C2)C1 ZINC001027576800 634178676 /nfs/dbraw/zinc/17/86/76/634178676.db2.gz WZUWMQIHNMYGMS-NVXWUHKLSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([N@@H+](C)CCC3CC3)C2)C1 ZINC001027576800 634178680 /nfs/dbraw/zinc/17/86/80/634178680.db2.gz WZUWMQIHNMYGMS-NVXWUHKLSA-N 1 3 307.482 2.051 20 0 DEADHO C[N@H+](CC1CCCC1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594812 634239458 /nfs/dbraw/zinc/23/94/58/634239458.db2.gz OVBAKRWJMZBUMT-MRXNPFEDSA-N 1 3 304.438 2.065 20 0 DEADHO C[N@@H+](CC1CCCC1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594812 634239460 /nfs/dbraw/zinc/23/94/60/634239460.db2.gz OVBAKRWJMZBUMT-MRXNPFEDSA-N 1 3 304.438 2.065 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3nc[nH]c3C)C[C@H]2C1 ZINC000980229129 634906545 /nfs/dbraw/zinc/90/65/45/634906545.db2.gz IQHFPNHYYWAKCA-HRCADAONSA-N 1 3 318.465 2.277 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3nc[nH]c3C)C[C@H]2C1 ZINC000980229129 634906549 /nfs/dbraw/zinc/90/65/49/634906549.db2.gz IQHFPNHYYWAKCA-HRCADAONSA-N 1 3 318.465 2.277 20 0 DEADHO CCCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001000677302 635273730 /nfs/dbraw/zinc/27/37/30/635273730.db2.gz HJFWJHBRXDZFGC-KRWDZBQOSA-N 1 3 307.482 2.408 20 0 DEADHO CCCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001000677302 635273737 /nfs/dbraw/zinc/27/37/37/635273737.db2.gz HJFWJHBRXDZFGC-KRWDZBQOSA-N 1 3 307.482 2.408 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC000981812263 635666146 /nfs/dbraw/zinc/66/61/46/635666146.db2.gz LXDDDGDKXAYVGV-RDJZCZTQSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@H](C)C[N@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC000981812263 635666150 /nfs/dbraw/zinc/66/61/50/635666150.db2.gz LXDDDGDKXAYVGV-RDJZCZTQSA-N 1 3 321.509 2.297 20 0 DEADHO CN(Cc1ccccc1)C1(C[NH2+][C@H]2CCC[C@H]2N)CCOCC1 ZINC000925832796 635821593 /nfs/dbraw/zinc/82/15/93/635821593.db2.gz FDRLLCQJOGWEGY-MSOLQXFVSA-N 1 3 317.477 2.137 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC1CC[NH+](C[C@@H](C)CC)CC1 ZINC001002955307 635860683 /nfs/dbraw/zinc/86/06/83/635860683.db2.gz KFMPNMIABZRPAB-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@]2(C)C[N@@H+](C(C)C)C[C@]2(C)C1 ZINC000982275780 635936145 /nfs/dbraw/zinc/93/61/45/635936145.db2.gz JSVOFHWKBSLUAS-QRQLOZEOSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@]2(C)C[N@H+](C(C)C)C[C@]2(C)C1 ZINC000982275780 635936148 /nfs/dbraw/zinc/93/61/48/635936148.db2.gz JSVOFHWKBSLUAS-QRQLOZEOSA-N 1 3 321.509 2.438 20 0 DEADHO Cc1ccnc(N)c1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000894064982 636102860 /nfs/dbraw/zinc/10/28/60/636102860.db2.gz PWBRACIJFMUTRS-UHFFFAOYSA-N 1 3 318.465 2.049 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000894105255 636145660 /nfs/dbraw/zinc/14/56/60/636145660.db2.gz NPINUBANQNLAQZ-HOTGVXAUSA-N 1 3 322.497 2.010 20 0 DEADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3ccc(C)cn3)C2)[C@H]1C(C)C ZINC000922395665 636157274 /nfs/dbraw/zinc/15/72/74/636157274.db2.gz YGGBOXNHJLJSCK-MKXGPGLRSA-N 1 3 317.477 2.349 20 0 DEADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3ccc(C)cn3)C2)[C@H]1C(C)C ZINC000922395665 636157288 /nfs/dbraw/zinc/15/72/88/636157288.db2.gz YGGBOXNHJLJSCK-MKXGPGLRSA-N 1 3 317.477 2.349 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004460261 636459096 /nfs/dbraw/zinc/45/90/96/636459096.db2.gz YONFSVSERJRVDD-IAGOWNOFSA-N 1 3 307.482 2.050 20 0 DEADHO CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004460261 636459098 /nfs/dbraw/zinc/45/90/98/636459098.db2.gz YONFSVSERJRVDD-IAGOWNOFSA-N 1 3 307.482 2.050 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001004457988 636459457 /nfs/dbraw/zinc/45/94/57/636459457.db2.gz NBDLHRCWGDVKOR-MSOLQXFVSA-N 1 3 321.509 2.440 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001004457988 636459460 /nfs/dbraw/zinc/45/94/60/636459460.db2.gz NBDLHRCWGDVKOR-MSOLQXFVSA-N 1 3 321.509 2.440 20 0 DEADHO Cc1ncoc1CNCCc1ccc(OCC[NH+](C)C)cc1 ZINC000894236266 636518385 /nfs/dbraw/zinc/51/83/85/636518385.db2.gz OYWCEAFTRKVJRH-UHFFFAOYSA-N 1 3 303.406 2.256 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946765210 636622513 /nfs/dbraw/zinc/62/25/13/636622513.db2.gz IQBFGDZZRZVDOM-FGTMMUONSA-N 1 3 323.525 2.399 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946765210 636622516 /nfs/dbraw/zinc/62/25/16/636622516.db2.gz IQBFGDZZRZVDOM-FGTMMUONSA-N 1 3 323.525 2.399 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001028845450 636784070 /nfs/dbraw/zinc/78/40/70/636784070.db2.gz KGBFVYQLIOZFER-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001028845450 636784078 /nfs/dbraw/zinc/78/40/78/636784078.db2.gz KGBFVYQLIOZFER-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@H](C)C[NH+]1CCC(N(C)C(=O)CN2CCC[C@@H]2C)CC1 ZINC001005992712 637048337 /nfs/dbraw/zinc/04/83/37/637048337.db2.gz VGAOKOSBHKIZRZ-HOTGVXAUSA-N 1 3 309.498 2.440 20 0 DEADHO CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000923269816 637070326 /nfs/dbraw/zinc/07/03/26/637070326.db2.gz VZNIWMDOMSNKMG-FGTMMUONSA-N 1 3 315.461 2.375 20 0 DEADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2Cc3ccccc3[C@@H](c3ccccc3)C2)C1 ZINC000923300912 637101038 /nfs/dbraw/zinc/10/10/38/637101038.db2.gz LYYWWLKGPYLZQY-RNQOJCNYSA-N 1 3 308.425 2.485 20 0 DEADHO c1ccc(CN(C[C@H]2CC3(C[NH2+]C3)CO2)C[C@@H]2CCCO2)cc1 ZINC000923310827 637110126 /nfs/dbraw/zinc/11/01/26/637110126.db2.gz YWHUZVCDCRWOMQ-ZWKOTPCHSA-N 1 3 316.445 2.046 20 0 DEADHO NC1(C[NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)CCC1 ZINC000923331146 637114578 /nfs/dbraw/zinc/11/45/78/637114578.db2.gz KUBGLPYWFQRKEP-LBPRGKRZSA-N 1 3 302.340 2.080 20 0 DEADHO CCc1nc(C)c([C@H](C)N(C)C[C@@H]2CC3(C[NH2+]C3)CO2)s1 ZINC000923325435 637118146 /nfs/dbraw/zinc/11/81/46/637118146.db2.gz ULKJWKQKPOSNMH-STQMWFEESA-N 1 3 309.479 2.385 20 0 DEADHO Nc1ccc2c(c1)OCCN(CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000923414833 637167781 /nfs/dbraw/zinc/16/77/81/637167781.db2.gz CXEWELURUJCNFS-FUCXHRTASA-N 1 3 301.434 2.384 20 0 DEADHO COCCN(Cc1ccc(C)cc1C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923427856 637173148 /nfs/dbraw/zinc/17/31/48/637173148.db2.gz KYCRAPRDPLAZFR-SFHVURJKSA-N 1 3 318.461 2.130 20 0 DEADHO C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CC[C@@H](CC[NH3+])C1 ZINC000923486577 637200398 /nfs/dbraw/zinc/20/03/98/637200398.db2.gz HQHMVKNIISPFCK-ZIAGYGMSSA-N 1 3 307.413 2.016 20 0 DEADHO C[C@H](NC(=O)CN1CC[C@@H](C[NH3+])[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000923503146 637213846 /nfs/dbraw/zinc/21/38/46/637213846.db2.gz HCMNPDBAVYSOQG-YDHLFZDLSA-N 1 3 323.868 2.434 20 0 DEADHO CCN(Cc1cccc(F)c1)C(=O)CN1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923499151 637215880 /nfs/dbraw/zinc/21/58/80/637215880.db2.gz KOIIRJZVPLOQET-GDBMZVCRSA-N 1 3 321.440 2.091 20 0 DEADHO CCc1ccc(CN(C)C(=O)CN2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923500603 637217826 /nfs/dbraw/zinc/21/78/26/637217826.db2.gz PYOQMZQSDOSGST-MAUKXSAKSA-N 1 3 317.477 2.124 20 0 DEADHO CCN(CC)C(=O)[C@@H](C)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923504520 637219574 /nfs/dbraw/zinc/21/95/74/637219574.db2.gz ZMRPAIBESXOWRD-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CCN(C(=O)[C@H](C)N1CC[C@@H](C[NH3+])[C@@H](C)C1)c1ccccc1 ZINC000923503458 637224051 /nfs/dbraw/zinc/22/40/51/637224051.db2.gz IRXNPDSLDLFCAM-JYJNAYRXSA-N 1 3 303.450 2.345 20 0 DEADHO C[C@@H]([NH2+]CC1CCC1)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001029107371 637238972 /nfs/dbraw/zinc/23/89/72/637238972.db2.gz LZAUCHHNVUEPMZ-RDTXWAMCSA-N 1 3 321.509 2.343 20 0 DEADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@H]2C)cc1 ZINC000928444535 637248437 /nfs/dbraw/zinc/24/84/37/637248437.db2.gz UCOQGBFRRCJVAN-WMLDXEAASA-N 1 3 303.450 2.351 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]C[C@@]2(C)CCCNC2)C1 ZINC000841057518 650416932 /nfs/dbraw/zinc/41/69/32/650416932.db2.gz OIFTUBZNJHOLOG-NFAWXSAZSA-N 1 3 318.408 2.333 20 0 DEADHO CCN[C@H](C)C[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000841064937 650419759 /nfs/dbraw/zinc/41/97/59/650419759.db2.gz WPFRQAFLRKGUJT-OAHLLOKOSA-N 1 3 304.482 2.309 20 0 DEADHO CC[NH2+][C@H](C)CNC1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000841064937 650419761 /nfs/dbraw/zinc/41/97/61/650419761.db2.gz WPFRQAFLRKGUJT-OAHLLOKOSA-N 1 3 304.482 2.309 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC2)C1 ZINC000985154075 639085523 /nfs/dbraw/zinc/08/55/23/639085523.db2.gz BZGOFMVYAGERPH-JCNLHEQBSA-N 1 3 315.461 2.256 20 0 DEADHO CC1CC(C[N@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000985333181 639291159 /nfs/dbraw/zinc/29/11/59/639291159.db2.gz ZPKBCUNXEXTBAT-DQPZFDDXSA-N 1 3 307.482 2.050 20 0 DEADHO CC1CC(C[N@@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000985333181 639291163 /nfs/dbraw/zinc/29/11/63/639291163.db2.gz ZPKBCUNXEXTBAT-DQPZFDDXSA-N 1 3 307.482 2.050 20 0 DEADHO CC1CC(C[N@H+](C)C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC000985652780 639564836 /nfs/dbraw/zinc/56/48/36/639564836.db2.gz IFEAHMBKLCRXMW-KLAILNCOSA-N 1 3 321.509 2.297 20 0 DEADHO CC1CC(C[N@@H+](C)C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC000985652780 639564839 /nfs/dbraw/zinc/56/48/39/639564839.db2.gz IFEAHMBKLCRXMW-KLAILNCOSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[N@H+](C)CC2CC2)CC1 ZINC001029995652 640022444 /nfs/dbraw/zinc/02/24/44/640022444.db2.gz UDZIEGJKCVKNCH-OAHLLOKOSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[N@@H+](C)CC2CC2)CC1 ZINC001029995652 640022446 /nfs/dbraw/zinc/02/24/46/640022446.db2.gz UDZIEGJKCVKNCH-OAHLLOKOSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CCC2CCCC2)CCN1C(=O)CN1CCCC1 ZINC000987532500 640214109 /nfs/dbraw/zinc/21/41/09/640214109.db2.gz QUVAHPYUPURRRH-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C2(N(C)C)CCC2)C1 ZINC000762974640 640487993 /nfs/dbraw/zinc/48/79/93/640487993.db2.gz NTVIUTCBKDIPIB-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CN(C)CCN(C(=O)NC[C@@H]1CCCC[N@H+](C)C1)C1CCCC1 ZINC000897547746 640777318 /nfs/dbraw/zinc/77/73/18/640777318.db2.gz GDZREBXYTMYKAJ-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO CN(C)CCN(C(=O)NC[C@@H]1CCCC[N@@H+](C)C1)C1CCCC1 ZINC000897547746 640777323 /nfs/dbraw/zinc/77/73/23/640777323.db2.gz GDZREBXYTMYKAJ-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO COCCOc1cccc(C[N@@H+]2C[C@@H]3CN(C)C[C@]3(C)C2)c1 ZINC000897621861 640872130 /nfs/dbraw/zinc/87/21/30/640872130.db2.gz WYJLGPSDXBMLRW-FUHWJXTLSA-N 1 3 304.434 2.095 20 0 DEADHO COCCOc1cccc(C[N@H+]2C[C@@H]3CN(C)C[C@]3(C)C2)c1 ZINC000897621861 640872134 /nfs/dbraw/zinc/87/21/34/640872134.db2.gz WYJLGPSDXBMLRW-FUHWJXTLSA-N 1 3 304.434 2.095 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccco1 ZINC000897730129 640923462 /nfs/dbraw/zinc/92/34/62/640923462.db2.gz JTCGSXLHALEMFI-RRFJBIMHSA-N 1 3 307.438 2.167 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccco1 ZINC000897730129 640923471 /nfs/dbraw/zinc/92/34/71/640923471.db2.gz JTCGSXLHALEMFI-RRFJBIMHSA-N 1 3 307.438 2.167 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC2CCC2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989449048 640992882 /nfs/dbraw/zinc/99/28/82/640992882.db2.gz CAWMTNLIMNFKEE-ZBFHGGJFSA-N 1 3 307.482 2.097 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCCN(CCCF)CC2)C1 ZINC000989483056 641120944 /nfs/dbraw/zinc/12/09/44/641120944.db2.gz KLEGMAMZPUHPNZ-JKSUJKDBSA-N 1 3 313.461 2.001 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000768956093 641148887 /nfs/dbraw/zinc/14/88/87/641148887.db2.gz IMDCZMDIPHGUCC-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000768956093 641148890 /nfs/dbraw/zinc/14/88/90/641148890.db2.gz IMDCZMDIPHGUCC-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CCC2CC2)CN1C(=O)CN1CCC(C)CC1 ZINC000989606875 641167930 /nfs/dbraw/zinc/16/79/30/641167930.db2.gz WKEJZFALAFYTOK-RDJZCZTQSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N2CCN(CCC(C)(C)C)CC2)CC[N@@H+]1C ZINC000344187004 641293382 /nfs/dbraw/zinc/29/33/82/641293382.db2.gz ZKSUWXZVRHEACJ-HOTGVXAUSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N2CCN(CCC(C)(C)C)CC2)CC[N@H+]1C ZINC000344187004 641293384 /nfs/dbraw/zinc/29/33/84/641293384.db2.gz ZKSUWXZVRHEACJ-HOTGVXAUSA-N 1 3 309.498 2.297 20 0 DEADHO CCO[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]1C)CN(C)C ZINC000926961022 641540192 /nfs/dbraw/zinc/54/01/92/641540192.db2.gz OABJJDWPABYNRP-QXAKKESOSA-N 1 3 319.493 2.206 20 0 DEADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Cc1c[nH]cn1 ZINC000900415444 642362949 /nfs/dbraw/zinc/36/29/49/642362949.db2.gz RHVMTQWWMCPAPG-UHFFFAOYSA-N 1 3 314.433 2.323 20 0 DEADHO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000900630025 642428583 /nfs/dbraw/zinc/42/85/83/642428583.db2.gz FTLKECXNCPHECJ-CQSZACIVSA-N 1 3 314.433 2.362 20 0 DEADHO C[N@H+]1CCC[C@H](CNC(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000900630025 642428587 /nfs/dbraw/zinc/42/85/87/642428587.db2.gz FTLKECXNCPHECJ-CQSZACIVSA-N 1 3 314.433 2.362 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)N(C)C ZINC000900708760 642448119 /nfs/dbraw/zinc/44/81/19/642448119.db2.gz LVJVDGLCAZETFG-IKGGRYGDSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)N(C)C ZINC000900708760 642448121 /nfs/dbraw/zinc/44/81/21/642448121.db2.gz LVJVDGLCAZETFG-IKGGRYGDSA-N 1 3 309.498 2.440 20 0 DEADHO CCNc1ccccc1C[NH2+]C[C@H](C)CN1CCN(CC)CC1 ZINC000902196302 642953343 /nfs/dbraw/zinc/95/33/43/642953343.db2.gz RVHJTAXUBUUUGH-KRWDZBQOSA-N 1 3 318.509 2.482 20 0 DEADHO CC1(C)C[NH2+]CC[C@@H](N[C@@H]2CCN(C(=O)C3CCCC3)C2)C1 ZINC000902347252 643003031 /nfs/dbraw/zinc/00/30/31/643003031.db2.gz ICSIPWOIRBCKGO-HZPDHXFCSA-N 1 3 307.482 2.145 20 0 DEADHO NOCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000902426592 643035453 /nfs/dbraw/zinc/03/54/53/643035453.db2.gz VRBHCALZTSUQGE-FGTMMUONSA-N 1 3 303.450 2.157 20 0 DEADHO Fc1ccc(N2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H]3N4)CC2)c(F)c1 ZINC000902474648 643042166 /nfs/dbraw/zinc/04/21/66/643042166.db2.gz HEZQTMWHSYPRAJ-VNQPRFMTSA-N 1 3 307.388 2.416 20 0 DEADHO CN(C)c1ccc(N2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H]3N4)CC2)cc1 ZINC000902478396 643043164 /nfs/dbraw/zinc/04/31/64/643043164.db2.gz WHNVKERZPKJYIC-AYOQOUSVSA-N 1 3 314.477 2.204 20 0 DEADHO CCNc1ccccc1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000902538672 643060009 /nfs/dbraw/zinc/06/00/09/643060009.db2.gz ROXNGYOOLAJCPD-UHFFFAOYSA-N 1 3 304.482 2.234 20 0 DEADHO C[C@H](NCC1(O)CC[NH+](C)CC1)c1ccc(C(F)(F)F)cn1 ZINC000902815841 643156169 /nfs/dbraw/zinc/15/61/69/643156169.db2.gz WYFOXZWUTZXYRI-NSHDSACASA-N 1 3 317.355 2.208 20 0 DEADHO C[C@@H](c1ccccn1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903506639 643370484 /nfs/dbraw/zinc/37/04/84/643370484.db2.gz CWFRGWGKYPQUCT-BHYGNILZSA-N 1 3 300.450 2.043 20 0 DEADHO COCCN(Cc1ccccc1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718553 643437791 /nfs/dbraw/zinc/43/77/91/643437791.db2.gz OTVWYWZIEGQXRD-GOSISDBHSA-N 1 3 318.461 2.294 20 0 DEADHO O=C(C1CCN(C[C@@H]2CCCC[NH2+]C2)CC1)N1CCCCC1 ZINC000903718350 643438212 /nfs/dbraw/zinc/43/82/12/643438212.db2.gz LBTDSPWLOVHVQN-MRXNPFEDSA-N 1 3 307.482 2.101 20 0 DEADHO Cc1nc(C(C)(C)NC[C@H]2C[C@]3(CC[NH2+]C3)CO2)sc1C ZINC000903742170 643450887 /nfs/dbraw/zinc/45/08/87/643450887.db2.gz VMCSTQVEJBKOMT-CJNGLKHVSA-N 1 3 309.479 2.353 20 0 DEADHO Cc1cc(C)nc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000903774858 643458231 /nfs/dbraw/zinc/45/82/31/643458231.db2.gz AOQJDAGMJZZUJQ-SFHVURJKSA-N 1 3 303.450 2.289 20 0 DEADHO Fc1ccc(O[C@H]2CCN(C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)cc1 ZINC000903780583 643460184 /nfs/dbraw/zinc/46/01/84/643460184.db2.gz JKLNTSFIEXXGKU-RCCFBDPRSA-N 1 3 320.408 2.047 20 0 DEADHO CCOC(=O)[C@H](CCc1ccccc1)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903783710 643461185 /nfs/dbraw/zinc/46/11/85/643461185.db2.gz ASLDRFPFCCYKLZ-NXHRZFHOSA-N 1 3 318.461 2.468 20 0 DEADHO CO[C@@H](C[N@@H+]1CCNCCC12CCOCC2)c1ccccc1 ZINC000903818626 643472337 /nfs/dbraw/zinc/47/23/37/643472337.db2.gz QCQNHJLTSQTFMF-KRWDZBQOSA-N 1 3 304.434 2.219 20 0 DEADHO CO[C@@H](C[N@H+]1CCNCCC12CCOCC2)c1ccccc1 ZINC000903818626 643472339 /nfs/dbraw/zinc/47/23/39/643472339.db2.gz QCQNHJLTSQTFMF-KRWDZBQOSA-N 1 3 304.434 2.219 20 0 DEADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(CCc1ccc3c(c1)OC(F)(F)O3)C2 ZINC000903842832 643480228 /nfs/dbraw/zinc/48/02/28/643480228.db2.gz WBVOIOYOFHBMJA-AVGNSLFASA-N 1 3 310.344 2.362 20 0 DEADHO Cc1c(C[C@H](CN)C[N@H+](C)CCc2ccc(F)cc2)cnn1C ZINC000903885437 643497176 /nfs/dbraw/zinc/49/71/76/643497176.db2.gz HRWXJOAZYFPVNC-MRXNPFEDSA-N 1 3 318.440 2.160 20 0 DEADHO Cc1c(C[C@H](CN)C[N@@H+](C)CCc2ccc(F)cc2)cnn1C ZINC000903885437 643497180 /nfs/dbraw/zinc/49/71/80/643497180.db2.gz HRWXJOAZYFPVNC-MRXNPFEDSA-N 1 3 318.440 2.160 20 0 DEADHO Cc1c(C[C@H](C[NH3+])CN[C@@H]2CCc3c2cccc3F)cnn1C ZINC000903927573 643511123 /nfs/dbraw/zinc/51/11/23/643511123.db2.gz ZROOCFYMTMIYMC-FZKQIMNGSA-N 1 3 316.424 2.262 20 0 DEADHO CN(C(=O)[C@@H]1CCN(C[C@@]2(C)CCC[NH2+]C2)C1)c1ccccc1 ZINC000904350991 643643146 /nfs/dbraw/zinc/64/31/46/643643146.db2.gz SYTUIJLUOJGPCC-APWZRJJASA-N 1 3 315.461 2.361 20 0 DEADHO C[C@]1(CN2CC[C@H](C(=O)NCc3ccccc3)C2)CCC[NH2+]C1 ZINC000904373458 643648861 /nfs/dbraw/zinc/64/88/61/643648861.db2.gz FGPUHJXBRXVURI-HKUYNNGSSA-N 1 3 315.461 2.014 20 0 DEADHO COc1cccc(CN2CCC3(CO[C@H](C[NH3+])C3)CC2)c1F ZINC000904393297 643653383 /nfs/dbraw/zinc/65/33/83/643653383.db2.gz PTDNNCPNFGNZEJ-AWEZNQCLSA-N 1 3 308.397 2.164 20 0 DEADHO C[N@H+](C[C@@H](O)CNCC1(c2cccc(F)c2)CCC1)C1CC1 ZINC000905565187 643951923 /nfs/dbraw/zinc/95/19/23/643951923.db2.gz PPZRRJNECUCUJL-KRWDZBQOSA-N 1 3 306.425 2.292 20 0 DEADHO C[N@@H+](C[C@@H](O)CNCC1(c2cccc(F)c2)CCC1)C1CC1 ZINC000905565187 643951931 /nfs/dbraw/zinc/95/19/31/643951931.db2.gz PPZRRJNECUCUJL-KRWDZBQOSA-N 1 3 306.425 2.292 20 0 DEADHO CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000906081527 644131842 /nfs/dbraw/zinc/13/18/42/644131842.db2.gz AHVMBFAOGUKNFU-HYVNUMGLSA-N 1 3 303.450 2.312 20 0 DEADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(C)(C)N1CCCCC1 ZINC000907171937 644460245 /nfs/dbraw/zinc/46/02/45/644460245.db2.gz WMIATWFHVZPJMC-HNNXBMFYSA-N 1 3 309.498 2.440 20 0 DEADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)NC1CCCCCCC1 ZINC000843387601 650964037 /nfs/dbraw/zinc/96/40/37/650964037.db2.gz UPKNWAMURNFIEL-IYBDPMFKSA-N 1 3 307.482 2.147 20 0 DEADHO Cc1ccc(N2CC[C@H](N3CCC4(CC[NH2+]C4)CC3)C2=O)cc1 ZINC000843388164 650964220 /nfs/dbraw/zinc/96/42/20/650964220.db2.gz YDHPGKKCAMDJOU-KRWDZBQOSA-N 1 3 313.445 2.176 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](c3ccccn3)C2)CC1 ZINC000800383890 645263891 /nfs/dbraw/zinc/26/38/91/645263891.db2.gz HIFDNNJDVMIDPQ-SFHVURJKSA-N 1 3 316.493 2.287 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](c3ccccn3)C2)CC1 ZINC000800383890 645263895 /nfs/dbraw/zinc/26/38/95/645263895.db2.gz HIFDNNJDVMIDPQ-SFHVURJKSA-N 1 3 316.493 2.287 20 0 DEADHO CCN1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](C)C1 ZINC000910283085 645388480 /nfs/dbraw/zinc/38/84/80/645388480.db2.gz KAIRAMJRSWLHDL-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)N1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000810338380 646353806 /nfs/dbraw/zinc/35/38/06/646353806.db2.gz UJFABENZTZZPFU-QGZVFWFLSA-N 1 3 313.461 2.142 20 0 DEADHO CC(C)N1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000810338380 646353808 /nfs/dbraw/zinc/35/38/08/646353808.db2.gz UJFABENZTZZPFU-QGZVFWFLSA-N 1 3 313.461 2.142 20 0 DEADHO CC(C)[NH+]1CCC(N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000164573206 646452970 /nfs/dbraw/zinc/45/29/70/646452970.db2.gz QGNASSQQZZBUJD-OAHLLOKOSA-N 1 3 311.470 2.458 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000948813320 646677280 /nfs/dbraw/zinc/67/72/80/646677280.db2.gz ZKNWDVLCFUUFKK-INIZCTEOSA-N 1 3 306.454 2.311 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@H](N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000948813320 646677281 /nfs/dbraw/zinc/67/72/81/646677281.db2.gz ZKNWDVLCFUUFKK-INIZCTEOSA-N 1 3 306.454 2.311 20 0 DEADHO COc1ccc([C@H](O)CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000817901541 647377285 /nfs/dbraw/zinc/37/72/85/647377285.db2.gz WTSAQBBPIANGFP-WNRNVDISSA-N 1 3 304.434 2.239 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@H](O)c1ccccc1Br ZINC000817934156 647385668 /nfs/dbraw/zinc/38/56/68/647385668.db2.gz BGVHXJAQHBYVEY-GDLCADMTSA-N 1 3 313.239 2.200 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000817931677 647386305 /nfs/dbraw/zinc/38/63/05/647386305.db2.gz NMXFRZCVAKALOI-MJBXVCDLSA-N 1 3 304.438 2.383 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000818543192 647477609 /nfs/dbraw/zinc/47/76/09/647477609.db2.gz KLFZZDOTRVPAMQ-MRXNPFEDSA-N 1 3 305.422 2.260 20 0 DEADHO CCCC[N@@H+]1CCC[C@@H](NC(=O)C23CCCN2CCC3)[C@H]1C ZINC000993525047 647689364 /nfs/dbraw/zinc/68/93/64/647689364.db2.gz DNQICECPTONJSM-HZPDHXFCSA-N 1 3 307.482 2.384 20 0 DEADHO CCCC[N@H+]1CCC[C@@H](NC(=O)C23CCCN2CCC3)[C@H]1C ZINC000993525047 647689367 /nfs/dbraw/zinc/68/93/67/647689367.db2.gz DNQICECPTONJSM-HZPDHXFCSA-N 1 3 307.482 2.384 20 0 DEADHO Cc1nc(C)c(CN2CCC([NH+]3CCN(C(C)C)CC3)CC2)[nH]1 ZINC000930130416 648234631 /nfs/dbraw/zinc/23/46/31/648234631.db2.gz LSGUWURLPLMJNC-UHFFFAOYSA-N 1 3 319.497 2.017 20 0 DEADHO C[NH+](C)C1CCC2(CC1)CCN(C(=O)CN1CCCC1)CC2 ZINC000823218468 648377392 /nfs/dbraw/zinc/37/73/92/648377392.db2.gz ICGOVDNVYOSLIQ-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261558373 648580593 /nfs/dbraw/zinc/58/05/93/648580593.db2.gz YFPGJGMAQQZGSD-JKSUJKDBSA-N 1 3 303.450 2.013 20 0 DEADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261558371 648580629 /nfs/dbraw/zinc/58/06/29/648580629.db2.gz YFPGJGMAQQZGSD-HOTGVXAUSA-N 1 3 303.450 2.013 20 0 DEADHO CN(CC(=O)N1CCC2(CC1)CC[NH+](C)CC2)CC(C)(C)C ZINC000825250695 648731610 /nfs/dbraw/zinc/73/16/10/648731610.db2.gz OSRQLOXMNNVDKR-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C(C)(C)C1 ZINC000940738100 648935615 /nfs/dbraw/zinc/93/56/15/648935615.db2.gz WFYILZFLWROASK-HOTGVXAUSA-N 1 3 309.498 2.486 20 0 DEADHO CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C(C)(C)C1 ZINC000940738100 648935617 /nfs/dbraw/zinc/93/56/17/648935617.db2.gz WFYILZFLWROASK-HOTGVXAUSA-N 1 3 309.498 2.486 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C(C)C)CC1(C)C ZINC000940785012 648940888 /nfs/dbraw/zinc/94/08/88/648940888.db2.gz FSPBQIXVAJCDCB-HOTGVXAUSA-N 1 3 309.498 2.486 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C(C)C)CC1(C)C ZINC000940785012 648940890 /nfs/dbraw/zinc/94/08/90/648940890.db2.gz FSPBQIXVAJCDCB-HOTGVXAUSA-N 1 3 309.498 2.486 20 0 DEADHO CCCC[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC000941186516 649018866 /nfs/dbraw/zinc/01/88/66/649018866.db2.gz LJYOZDINEWQSQT-OAHLLOKOSA-N 1 3 306.454 2.277 20 0 DEADHO CCCC[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC000941186516 649018869 /nfs/dbraw/zinc/01/88/69/649018869.db2.gz LJYOZDINEWQSQT-OAHLLOKOSA-N 1 3 306.454 2.277 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000827548765 649048901 /nfs/dbraw/zinc/04/89/01/649048901.db2.gz KNCVDCWJCIPGAG-XYPHTWIQSA-N 1 3 301.434 2.066 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000827548762 649048929 /nfs/dbraw/zinc/04/89/29/649048929.db2.gz KNCVDCWJCIPGAG-COXVUDFISA-N 1 3 301.434 2.066 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000827548764 649049181 /nfs/dbraw/zinc/04/91/81/649049181.db2.gz KNCVDCWJCIPGAG-XOKHGSTOSA-N 1 3 301.434 2.066 20 0 DEADHO C[C@H]1CCCN1CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000828834245 649229806 /nfs/dbraw/zinc/22/98/06/649229806.db2.gz OVYCJIUQAFLHCF-RDJZCZTQSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@H]1CCCN1CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000828834245 649229808 /nfs/dbraw/zinc/22/98/08/649229808.db2.gz OVYCJIUQAFLHCF-RDJZCZTQSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@@H]1CCCN1CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000828834242 649229935 /nfs/dbraw/zinc/22/99/35/649229935.db2.gz OVYCJIUQAFLHCF-NVXWUHKLSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@@H]1CCCN1CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000828834242 649229937 /nfs/dbraw/zinc/22/99/37/649229937.db2.gz OVYCJIUQAFLHCF-NVXWUHKLSA-N 1 3 307.482 2.384 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@H](C)C1 ZINC000942557879 649244762 /nfs/dbraw/zinc/24/47/62/649244762.db2.gz OFQJEXZLHKBXQN-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@H](C)C1 ZINC000942557879 649244763 /nfs/dbraw/zinc/24/47/63/649244763.db2.gz OFQJEXZLHKBXQN-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000830209434 649410402 /nfs/dbraw/zinc/41/04/02/649410402.db2.gz KNLJOLPJEWRDOM-DLBZAZTESA-N 1 3 318.465 2.063 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc(Cl)n1 ZINC000830462889 649448636 /nfs/dbraw/zinc/44/86/36/649448636.db2.gz ANBYIYUUDNWMRJ-KWCYVHTRSA-N 1 3 324.856 2.032 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc(Cl)n1 ZINC000830462889 649448639 /nfs/dbraw/zinc/44/86/39/649448639.db2.gz ANBYIYUUDNWMRJ-KWCYVHTRSA-N 1 3 324.856 2.032 20 0 DEADHO CN(C)[C@H](CNC(=O)NCCCCCC[NH3+])c1ccccc1 ZINC000831088672 649536781 /nfs/dbraw/zinc/53/67/81/649536781.db2.gz IIUGILZBULBMSK-MRXNPFEDSA-N 1 3 306.454 2.108 20 0 DEADHO CN1CCC[C@H]1CC[N@H+](C)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000831236710 649558061 /nfs/dbraw/zinc/55/80/61/649558061.db2.gz BUVXOYFJWVFOQD-SLTAFYQDSA-N 1 3 311.470 2.458 20 0 DEADHO CN1CCC[C@H]1CC[N@@H+](C)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000831236710 649558063 /nfs/dbraw/zinc/55/80/63/649558063.db2.gz BUVXOYFJWVFOQD-SLTAFYQDSA-N 1 3 311.470 2.458 20 0 DEADHO C[C@H]([NH2+]C1CC1)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000831827446 649647626 /nfs/dbraw/zinc/64/76/26/649647626.db2.gz MOQAVPFLVGTIRT-YJBOKZPZSA-N 1 3 315.461 2.470 20 0 DEADHO CN(C)C[C@H](NC(=O)C[C@H]([NH3+])C1CC1)c1ccc(Cl)cc1 ZINC000831933541 649660749 /nfs/dbraw/zinc/66/07/49/649660749.db2.gz MGPLUKXHZPOAFW-GJZGRUSLSA-N 1 3 309.841 2.186 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)NCC[N@H+]2CCC[C@@H]2C)cc(Cl)n1 ZINC000831970614 649664960 /nfs/dbraw/zinc/66/49/60/649664960.db2.gz JRDBGAHLUYBCLE-JSGCOSHPSA-N 1 3 324.856 2.034 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)NCC[N@@H+]2CCC[C@@H]2C)cc(Cl)n1 ZINC000831970614 649664961 /nfs/dbraw/zinc/66/49/61/649664961.db2.gz JRDBGAHLUYBCLE-JSGCOSHPSA-N 1 3 324.856 2.034 20 0 DEADHO CN(CC(=O)Nc1ccnn1C1CCCC1)C1CCC([NH3+])CC1 ZINC000844221085 651096091 /nfs/dbraw/zinc/09/60/91/651096091.db2.gz TVYSYRKLOPZESQ-UHFFFAOYSA-N 1 3 319.453 2.138 20 0 DEADHO [NH3+][C@H]1CCC[C@H](NC[C@@H](O)c2cccc(Br)c2)C1 ZINC000848719856 651497786 /nfs/dbraw/zinc/49/77/86/651497786.db2.gz FQHRAVNTUHEEJB-MELADBBJSA-N 1 3 313.239 2.342 20 0 DEADHO COC(=O)/C=C/c1ccc(CN2CCC(C[NH+](C)C)CC2)o1 ZINC000848881070 651542916 /nfs/dbraw/zinc/54/29/16/651542916.db2.gz KHEUWCXDTZFQOV-VOTSOKGWSA-N 1 3 306.406 2.239 20 0 DEADHO COC(=O)/C=C/c1ccc(CN(C)CC2CC[NH+](C)CC2)o1 ZINC000848886754 651545063 /nfs/dbraw/zinc/54/50/63/651545063.db2.gz WGAHKMDABCOYMX-VOTSOKGWSA-N 1 3 306.406 2.239 20 0 DEADHO CCC(CC)[C@@H](CCNC(=[NH2+])NC[C@@H]1CCCN1CC)OC ZINC000849014234 651583358 /nfs/dbraw/zinc/58/33/58/651583358.db2.gz QLDJKCOOCNXAEB-JKSUJKDBSA-N 1 3 312.502 2.426 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(OC)CCC(C)CC1 ZINC000849024758 651587285 /nfs/dbraw/zinc/58/72/85/651587285.db2.gz VRMWLXYIFWGTOL-ISXOHVOVSA-N 1 3 310.486 2.180 20 0 DEADHO CC[N@H+](C[C@H](O)CN(C)C(C)C)[C@@H](C)[C@H](O)c1ccccc1 ZINC000852065638 652330532 /nfs/dbraw/zinc/33/05/32/652330532.db2.gz HTHDZWVZMYNOER-JQHSSLGASA-N 1 3 308.466 2.132 20 0 DEADHO CC[N@@H+](C[C@H](O)CN(C)C(C)C)[C@@H](C)[C@H](O)c1ccccc1 ZINC000852065638 652330536 /nfs/dbraw/zinc/33/05/36/652330536.db2.gz HTHDZWVZMYNOER-JQHSSLGASA-N 1 3 308.466 2.132 20 0 DEADHO CC[NH+]1CCC(N2CCCN(Cc3cccc(F)n3)CC2)CC1 ZINC000852185583 652360166 /nfs/dbraw/zinc/36/01/66/652360166.db2.gz ZTQZQZPCUNEDDW-UHFFFAOYSA-N 1 3 320.456 2.213 20 0 DEADHO CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]CC23CC(C2)CN3)C1 ZINC000853246676 652529145 /nfs/dbraw/zinc/52/91/45/652529145.db2.gz PLBCDMGQLNJKEH-FMPXUHTOSA-N 1 3 316.392 2.085 20 0 DEADHO CCOC(=O)C(F)(F)[C@H]1CCC[C@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000853246676 652529147 /nfs/dbraw/zinc/52/91/47/652529147.db2.gz PLBCDMGQLNJKEH-FMPXUHTOSA-N 1 3 316.392 2.085 20 0 DEADHO C[C@@H](CNC(=O)CCC[NH+]1CCCC1)NCc1ccsc1 ZINC001371463928 1155856429 /nfs/dbraw/zinc/85/64/29/1155856429.db2.gz HHRIVMADKJZARA-AWEZNQCLSA-N 1 3 309.479 2.218 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001373193469 1156882683 /nfs/dbraw/zinc/88/26/83/1156882683.db2.gz JXBDBQYTDQRSSG-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001373193469 1156882684 /nfs/dbraw/zinc/88/26/84/1156882684.db2.gz JXBDBQYTDQRSSG-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO C[N@H+](CCC(C)(C)C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001373310413 1156964883 /nfs/dbraw/zinc/96/48/83/1156964883.db2.gz HMPYCWFHMLFBHQ-MRXNPFEDSA-N 1 3 309.498 2.299 20 0 DEADHO C[N@@H+](CCC(C)(C)C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001373310413 1156964903 /nfs/dbraw/zinc/96/49/03/1156964903.db2.gz HMPYCWFHMLFBHQ-MRXNPFEDSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CCC(C[N@@H+](C)CCC2CC2)CC1 ZINC001373329835 1156988750 /nfs/dbraw/zinc/98/87/50/1156988750.db2.gz JFCQNGNVUKYYND-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CC[C@@H](F)C[N@H+](C)CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001373333032 1156990525 /nfs/dbraw/zinc/99/05/25/1156990525.db2.gz GUVKANAHSUKOFY-MRXNPFEDSA-N 1 3 315.477 2.245 20 0 DEADHO CC[C@@H](F)C[N@@H+](C)CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001373333032 1156990537 /nfs/dbraw/zinc/99/05/37/1156990537.db2.gz GUVKANAHSUKOFY-MRXNPFEDSA-N 1 3 315.477 2.245 20 0 DEADHO Cc1cc(C[NH2+]C[C@@H](C)NC(=O)CN(C)C2CCC2)c(C)s1 ZINC001392483051 1157068710 /nfs/dbraw/zinc/06/87/10/1157068710.db2.gz VPOJVYWFPLAZNB-GFCCVEGCSA-N 1 3 323.506 2.444 20 0 DEADHO CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001393892018 1158050194 /nfs/dbraw/zinc/05/01/94/1158050194.db2.gz COJBESIKQJTHMY-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001393892018 1158050205 /nfs/dbraw/zinc/05/02/05/1158050205.db2.gz COJBESIKQJTHMY-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccccc1F ZINC001393995422 1158146702 /nfs/dbraw/zinc/14/67/02/1158146702.db2.gz LGGYJBXIYLMTSZ-UONOGXRCSA-N 1 3 309.429 2.150 20 0 DEADHO CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054145058 693862303 /nfs/dbraw/zinc/86/23/03/693862303.db2.gz JIYOTBYJMSCZPL-KRWDZBQOSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054145058 693862307 /nfs/dbraw/zinc/86/23/07/693862307.db2.gz JIYOTBYJMSCZPL-KRWDZBQOSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001054198152 693878754 /nfs/dbraw/zinc/87/87/54/693878754.db2.gz QWVQXOGCKIMKOR-PKOBYXMFSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001054198152 693878758 /nfs/dbraw/zinc/87/87/58/693878758.db2.gz QWVQXOGCKIMKOR-PKOBYXMFSA-N 1 3 321.509 2.299 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001054205527 693882623 /nfs/dbraw/zinc/88/26/23/693882623.db2.gz SUWUBXPXIYEGMZ-GOSISDBHSA-N 1 3 316.449 2.067 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001054205527 693882627 /nfs/dbraw/zinc/88/26/27/693882627.db2.gz SUWUBXPXIYEGMZ-GOSISDBHSA-N 1 3 316.449 2.067 20 0 DEADHO CN(CCOC[C@@H]1CCCO1)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214464 685682466 /nfs/dbraw/zinc/68/24/66/685682466.db2.gz ITBLHLFGKHSMCH-SFHVURJKSA-N 1 3 306.450 2.376 20 0 DEADHO C[C@@H]1CC[C@H](NC2CCN(c3ccc(N(C)C)cc3)CC2)C[NH2+]1 ZINC000863484042 686509167 /nfs/dbraw/zinc/50/91/67/686509167.db2.gz GYQLQMJUILVNIK-WBVHZDCISA-N 1 3 316.493 2.452 20 0 DEADHO CC(C)(C)c1ccc([C@H](O)C[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000863563989 686523642 /nfs/dbraw/zinc/52/36/42/686523642.db2.gz SCTFFCLOVSEYBI-QZTJIDSGSA-N 1 3 320.477 2.064 20 0 DEADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]CCC1CCCC1 ZINC001054735091 694035570 /nfs/dbraw/zinc/03/55/70/694035570.db2.gz HOTQJVPXLSMTNI-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001054739069 694036124 /nfs/dbraw/zinc/03/61/24/694036124.db2.gz RUWFDCFTCGTYIM-RHSMWYFYSA-N 1 3 321.509 2.343 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000864058638 686608507 /nfs/dbraw/zinc/60/85/07/686608507.db2.gz VTKZGGBWRQWMQV-OAHLLOKOSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H]1C[C@H]1NC(=[NH2+])NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000864464469 686730178 /nfs/dbraw/zinc/73/01/78/686730178.db2.gz CZKVSZDHKGFKMV-ZHYKRGJUSA-N 1 3 318.387 2.314 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)c1 ZINC000864620915 686781138 /nfs/dbraw/zinc/78/11/38/686781138.db2.gz RSUFJRKQSAIWSU-HZPDHXFCSA-N 1 3 302.422 2.106 20 0 DEADHO Cn1ncc2cc(CNCc3cccc(C[NH+](C)C)c3)cnc21 ZINC000865407600 687200646 /nfs/dbraw/zinc/20/06/46/687200646.db2.gz FTVBDYMMGKZLIZ-UHFFFAOYSA-N 1 3 309.417 2.320 20 0 DEADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCN(CC3=CCCCC3)C2)C1 ZINC001015995869 687493903 /nfs/dbraw/zinc/49/39/03/687493903.db2.gz ADEPLIZXWAMHSN-IRXDYDNUSA-N 1 3 305.466 2.019 20 0 DEADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCN(CC3=CCCCC3)C2)C1 ZINC001015995869 687493907 /nfs/dbraw/zinc/49/39/07/687493907.db2.gz ADEPLIZXWAMHSN-IRXDYDNUSA-N 1 3 305.466 2.019 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H](C)CCc2cccnc2)CC1 ZINC000866231117 687502684 /nfs/dbraw/zinc/50/26/84/687502684.db2.gz PBRBUPZIVPVRON-KRWDZBQOSA-N 1 3 304.482 2.020 20 0 DEADHO C[C@@H]1CCc2ccc(F)cc2[C@H]1[NH2+]C[C@@H](O)CN1CCCC1 ZINC000866244749 687505749 /nfs/dbraw/zinc/50/57/49/687505749.db2.gz TYQSGJVABNMRBU-QBIMZIAESA-N 1 3 306.425 2.495 20 0 DEADHO CCCC[NH+]1CCC2(C[C@@H]2NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001016827903 687711708 /nfs/dbraw/zinc/71/17/08/687711708.db2.gz AFKSZQLXEAQEDH-HOTGVXAUSA-N 1 3 307.482 2.099 20 0 DEADHO CC1(C)[C@H](N)c2ccccc2N1C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000867988507 687863251 /nfs/dbraw/zinc/86/32/51/687863251.db2.gz NELXHMOAOQUMOC-DGCLKSJQSA-N 1 3 309.360 2.056 20 0 DEADHO CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001017567178 687914569 /nfs/dbraw/zinc/91/45/69/687914569.db2.gz BUASVJQIOMHZCR-VVLHAWIVSA-N 1 3 307.482 2.192 20 0 DEADHO CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001017567178 687914573 /nfs/dbraw/zinc/91/45/73/687914573.db2.gz BUASVJQIOMHZCR-VVLHAWIVSA-N 1 3 307.482 2.192 20 0 DEADHO CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001017616577 687924198 /nfs/dbraw/zinc/92/41/98/687924198.db2.gz CRYFVXZPWUJYOR-YESZJQIVSA-N 1 3 307.482 2.335 20 0 DEADHO CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001017616577 687924205 /nfs/dbraw/zinc/92/42/05/687924205.db2.gz CRYFVXZPWUJYOR-YESZJQIVSA-N 1 3 307.482 2.335 20 0 DEADHO CC1CC(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CN2CCC[C@@H]2C)C1 ZINC001017940885 688006920 /nfs/dbraw/zinc/00/69/20/688006920.db2.gz BWRMCMDPZPBTHO-YVZBVZGPSA-N 1 3 319.493 2.192 20 0 DEADHO CC1CC(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CN2CCC[C@@H]2C)C1 ZINC001017940885 688006924 /nfs/dbraw/zinc/00/69/24/688006924.db2.gz BWRMCMDPZPBTHO-YVZBVZGPSA-N 1 3 319.493 2.192 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001018637451 688191335 /nfs/dbraw/zinc/19/13/35/688191335.db2.gz ZGZHWGWBXZOXSN-IRXDYDNUSA-N 1 3 305.466 2.162 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001018637450 688191500 /nfs/dbraw/zinc/19/15/00/688191500.db2.gz ZGZHWGWBXZOXSN-DLBZAZTESA-N 1 3 305.466 2.162 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001018966391 688262685 /nfs/dbraw/zinc/26/26/85/688262685.db2.gz HLOUXSNFZSPJES-ROUUACIJSA-N 1 3 315.461 2.026 20 0 DEADHO C[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)c1ccccc1 ZINC001019241491 688305324 /nfs/dbraw/zinc/30/53/24/688305324.db2.gz BBWPLZCIEGLTLI-BHYGNILZSA-N 1 3 301.434 2.032 20 0 DEADHO Cc1cccc([C@H](C)[NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC001019241649 688305692 /nfs/dbraw/zinc/30/56/92/688305692.db2.gz QVKHOBOYBMITPS-RYQLBKOJSA-N 1 3 315.461 2.341 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](NCc3ccsc3)C2)CC[N@@H+]1C ZINC001019289873 688321479 /nfs/dbraw/zinc/32/14/79/688321479.db2.gz IFUZOWQCKQDBCP-BPUTZDHNSA-N 1 3 321.490 2.169 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](NCc3ccsc3)C2)CC[N@H+]1C ZINC001019289873 688321480 /nfs/dbraw/zinc/32/14/80/688321480.db2.gz IFUZOWQCKQDBCP-BPUTZDHNSA-N 1 3 321.490 2.169 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001019383483 688342812 /nfs/dbraw/zinc/34/28/12/688342812.db2.gz GNPYBKRHCCYCBC-RDJZCZTQSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)C[NH2+][C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001019386884 688344110 /nfs/dbraw/zinc/34/41/10/688344110.db2.gz WZERTRXIMOSHPT-WMLDXEAASA-N 1 3 313.461 2.045 20 0 DEADHO CCN(CC)CC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000870190136 688507738 /nfs/dbraw/zinc/50/77/38/688507738.db2.gz VKGAKKLNZARAOJ-UHFFFAOYSA-N 1 3 317.477 2.108 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000870871055 688672838 /nfs/dbraw/zinc/67/28/38/688672838.db2.gz HHAIPVUYOUGQMB-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000870872802 688673605 /nfs/dbraw/zinc/67/36/05/688673605.db2.gz KSVXAYPOJMFHGS-CICISYLWSA-N 1 3 313.445 2.066 20 0 DEADHO CC1CCC(N2CCN(C(=O)CCC34CC(C3)C[NH2+]4)CC2)CC1 ZINC000870888096 688678842 /nfs/dbraw/zinc/67/88/42/688678842.db2.gz JSDHCZCNXMGJEM-UHFFFAOYSA-N 1 3 319.493 2.242 20 0 DEADHO C[C@@H](CN(C)CCC[NH+](C)C)N[C@@H](C)c1cc(O)ccc1F ZINC000872085761 688924776 /nfs/dbraw/zinc/92/47/76/688924776.db2.gz QNHISWMJSQZQLX-KBPBESRZSA-N 1 3 311.445 2.454 20 0 DEADHO C[C@H](CCNC[C@@H](O)CC(C)(C)O)[N@H+](C)Cc1ccccc1 ZINC000872203801 688951467 /nfs/dbraw/zinc/95/14/67/688951467.db2.gz NPXWNQHUNACODI-WBVHZDCISA-N 1 3 308.466 2.009 20 0 DEADHO C[C@H](CCNC[C@@H](O)CC(C)(C)O)[N@@H+](C)Cc1ccccc1 ZINC000872203801 688951468 /nfs/dbraw/zinc/95/14/68/688951468.db2.gz NPXWNQHUNACODI-WBVHZDCISA-N 1 3 308.466 2.009 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872292556 688975260 /nfs/dbraw/zinc/97/52/60/688975260.db2.gz GGXXLMMQNCHFOL-RYRKJORJSA-N 1 3 307.482 2.084 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCC1C[NH+](CC2CCCC2)C1 ZINC001031713592 688984642 /nfs/dbraw/zinc/98/46/42/688984642.db2.gz CITPIOHYDKPFCR-KRWDZBQOSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H](F)CCN1CC(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001032053226 689049665 /nfs/dbraw/zinc/04/96/65/689049665.db2.gz VCOMVKOXDPIZLX-CQSZACIVSA-N 1 3 321.440 2.158 20 0 DEADHO C[C@H](F)CCN1CC(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001032053225 689049693 /nfs/dbraw/zinc/04/96/93/689049693.db2.gz VCOMVKOXDPIZLX-AWEZNQCLSA-N 1 3 321.440 2.158 20 0 DEADHO CCCC[NH+]1CC(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001032207178 689083063 /nfs/dbraw/zinc/08/30/63/689083063.db2.gz GMPSECWEZSSQNA-UHFFFAOYSA-N 1 3 303.450 2.210 20 0 DEADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001032400274 689140038 /nfs/dbraw/zinc/14/00/38/689140038.db2.gz BDUFDUYYDAWJQU-ULQDDVLXSA-N 1 3 307.482 2.190 20 0 DEADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001032400274 689140040 /nfs/dbraw/zinc/14/00/40/689140040.db2.gz BDUFDUYYDAWJQU-ULQDDVLXSA-N 1 3 307.482 2.190 20 0 DEADHO CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001032405748 689142381 /nfs/dbraw/zinc/14/23/81/689142381.db2.gz RJJSVTKWSBDSRE-SZMVWBNQSA-N 1 3 319.493 2.336 20 0 DEADHO CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001032405748 689142385 /nfs/dbraw/zinc/14/23/85/689142385.db2.gz RJJSVTKWSBDSRE-SZMVWBNQSA-N 1 3 319.493 2.336 20 0 DEADHO C[C@@H]1CC(C)(C)C[C@](C)([NH2+]C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000873231724 689190215 /nfs/dbraw/zinc/19/02/15/689190215.db2.gz BNBIQBUJNZFZNM-RVKKMQEKSA-N 1 3 309.498 2.378 20 0 DEADHO C(N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1CC2(CO1)CCOCC2 ZINC000873250245 689194286 /nfs/dbraw/zinc/19/42/86/689194286.db2.gz FJTZDMJORZMUHR-LTIDMASMSA-N 1 3 308.466 2.082 20 0 DEADHO c1cnc2c(c1)CCC[C@H]2NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873293400 689203710 /nfs/dbraw/zinc/20/37/10/689203710.db2.gz LVQXWBMMIFXHAE-JKSUJKDBSA-N 1 3 301.434 2.207 20 0 DEADHO C[NH+](C)Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3CC2CC2)cc1 ZINC001032684038 689224403 /nfs/dbraw/zinc/22/44/03/689224403.db2.gz BHYWJSVRSWGMQM-ROUUACIJSA-N 1 3 313.445 2.057 20 0 DEADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCC2)C1 ZINC001032732288 689240277 /nfs/dbraw/zinc/24/02/77/689240277.db2.gz ZXVWQPADMUBNNB-BZSNNMDCSA-N 1 3 319.493 2.194 20 0 DEADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCC2)C1 ZINC001032732288 689240281 /nfs/dbraw/zinc/24/02/81/689240281.db2.gz ZXVWQPADMUBNNB-BZSNNMDCSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033069050 689375182 /nfs/dbraw/zinc/37/51/82/689375182.db2.gz GNVKTBZRBXKUEV-IRXDYDNUSA-N 1 3 307.482 2.358 20 0 DEADHO CC(C)=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033069050 689375185 /nfs/dbraw/zinc/37/51/85/689375185.db2.gz GNVKTBZRBXKUEV-IRXDYDNUSA-N 1 3 307.482 2.358 20 0 DEADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000874828424 689502671 /nfs/dbraw/zinc/50/26/71/689502671.db2.gz HXFKSSGQWYQTFE-ZWKOTPCHSA-N 1 3 315.461 2.099 20 0 DEADHO CCCCN(C[C@H](O)[C@H](C)O)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034201 694299233 /nfs/dbraw/zinc/29/92/33/694299233.db2.gz QCOCEIBIFZYIEW-ZFWWWQNUSA-N 1 3 300.487 2.139 20 0 DEADHO CCN(C(=O)NCCC1CC[NH+](C(C)C)CC1)[C@@H]1CCN(C)C1 ZINC000876027122 689741503 /nfs/dbraw/zinc/74/15/03/689741503.db2.gz CBULNZGYUJCFAA-QGZVFWFLSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](C(C)C)C1 ZINC001034288028 689796102 /nfs/dbraw/zinc/79/61/02/689796102.db2.gz LJUQGIHRFRLMRP-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](C(C)C)C1 ZINC001034288028 689796104 /nfs/dbraw/zinc/79/61/04/689796104.db2.gz LJUQGIHRFRLMRP-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)CC1 ZINC000876732838 689919805 /nfs/dbraw/zinc/91/98/05/689919805.db2.gz HOZHFAFHMFCHRX-WLMCBFPDSA-N 1 3 307.482 2.123 20 0 DEADHO ClC1(Cl)C[C@@H]1C[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000877054941 690008863 /nfs/dbraw/zinc/00/88/63/690008863.db2.gz LUPIGVZQEWSDLL-VXGBXAGGSA-N 1 3 307.265 2.271 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001035053308 690021818 /nfs/dbraw/zinc/02/18/18/690021818.db2.gz PKIAFKQABYGDIY-MSOLQXFVSA-N 1 3 317.477 2.416 20 0 DEADHO [NH3+]CC12CCC(CC1)N2C(=O)c1cccc(CN2CCCC2)c1 ZINC000877188473 690040401 /nfs/dbraw/zinc/04/04/01/690040401.db2.gz CYXAWIURMJUXEF-UHFFFAOYSA-N 1 3 313.445 2.378 20 0 DEADHO CC(C)[NH+]1CCC(CCNC(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000877200656 690044034 /nfs/dbraw/zinc/04/40/34/690044034.db2.gz OUZDXJBQVBMDOA-GOSISDBHSA-N 1 3 317.477 2.183 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001035166558 690046146 /nfs/dbraw/zinc/04/61/46/690046146.db2.gz QBHSQUGJYWCISR-IRXDYDNUSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001035166558 690046150 /nfs/dbraw/zinc/04/61/50/690046150.db2.gz QBHSQUGJYWCISR-IRXDYDNUSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC2(CC[N@@H+](C(C)C)C2)CC1)N(C)C ZINC001035196349 690056284 /nfs/dbraw/zinc/05/62/84/690056284.db2.gz GFKVGFWFOBQGJI-INIZCTEOSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC2(CC[N@H+](C(C)C)C2)CC1)N(C)C ZINC001035196349 690056287 /nfs/dbraw/zinc/05/62/87/690056287.db2.gz GFKVGFWFOBQGJI-INIZCTEOSA-N 1 3 309.498 2.296 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC2(C[NH+](CC3CCCC3)C2)CC1 ZINC001035669828 690147303 /nfs/dbraw/zinc/14/73/03/690147303.db2.gz YKZZVWYWPKZBGR-QGZVFWFLSA-N 1 3 319.493 2.195 20 0 DEADHO COC(=O)c1cc(CN2CCC3(CC2)CC[NH+](C)CC3)cn1C ZINC000877684341 690190445 /nfs/dbraw/zinc/19/04/45/690190445.db2.gz MVBJESWUVWPNOJ-UHFFFAOYSA-N 1 3 319.449 2.120 20 0 DEADHO CN1CC[NH+](C2CCN(Cc3nccc4ccccc43)CC2)CC1 ZINC000877747446 690214255 /nfs/dbraw/zinc/21/42/55/690214255.db2.gz LQQFESRVVIGRJJ-UHFFFAOYSA-N 1 3 324.472 2.447 20 0 DEADHO COc1ccc(C[NH+]2CCC(N3CCN(C)CC3)CC2)cc1C ZINC000877747678 690214973 /nfs/dbraw/zinc/21/49/73/690214973.db2.gz XLRNFPIDGBACRT-UHFFFAOYSA-N 1 3 317.477 2.215 20 0 DEADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001036206146 690290774 /nfs/dbraw/zinc/29/07/74/690290774.db2.gz PGYPJMNKGSRSPU-PBHICJAKSA-N 1 3 316.449 2.279 20 0 DEADHO CC(C)[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001036453084 690353457 /nfs/dbraw/zinc/35/34/57/690353457.db2.gz UZIHJYRPRNSDLJ-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1ccccc1[C@@H](NCC(=O)NC1CC[NH+](C)CC1)C1CC1 ZINC000878378943 690391182 /nfs/dbraw/zinc/39/11/82/690391182.db2.gz QWIHZVZCVALHTJ-IBGZPJMESA-N 1 3 315.461 2.246 20 0 DEADHO O=C1O[C@H](CN2CCCN(c3cc[nH+]cc3)CC2)CC12CCC2 ZINC000878748701 690490832 /nfs/dbraw/zinc/49/08/32/690490832.db2.gz XTQXJFSKLUQEHH-INIZCTEOSA-N 1 3 315.417 2.080 20 0 DEADHO CCCCCNC(=O)[C@H](C)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879247461 690602584 /nfs/dbraw/zinc/60/25/84/690602584.db2.gz AYUWQRNJZLZKOQ-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO O=C(NC[C@@H]1CCN1CCC1CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001038348139 690791185 /nfs/dbraw/zinc/79/11/85/690791185.db2.gz AKSQLTAJPAPXEF-ROUUACIJSA-N 1 3 319.493 2.384 20 0 DEADHO O=C(NC[C@@H]1CCN1CCC1CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001038348139 690791189 /nfs/dbraw/zinc/79/11/89/690791189.db2.gz AKSQLTAJPAPXEF-ROUUACIJSA-N 1 3 319.493 2.384 20 0 DEADHO C[C@@H]1CN(C[C@H](O)Cc2ccccc2)CCN1c1cc[nH+]cc1 ZINC000880260054 690854096 /nfs/dbraw/zinc/85/40/96/690854096.db2.gz MUJXDXMKUZSZNI-VQIMIIECSA-N 1 3 311.429 2.196 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCCN1C(C)C ZINC001038782271 690924293 /nfs/dbraw/zinc/92/42/93/690924293.db2.gz RJIZKDJXJOODPO-IAGOWNOFSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCCN1C(C)C ZINC001038782271 690924295 /nfs/dbraw/zinc/92/42/95/690924295.db2.gz RJIZKDJXJOODPO-IAGOWNOFSA-N 1 3 309.498 2.486 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[N@@H+]2CC2CCC2)c1 ZINC001039039809 691000737 /nfs/dbraw/zinc/00/07/37/691000737.db2.gz LKXQNDLKFBNJAD-GOSISDBHSA-N 1 3 315.461 2.352 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[N@H+]2CC2CCC2)c1 ZINC001039039809 691000738 /nfs/dbraw/zinc/00/07/38/691000738.db2.gz LKXQNDLKFBNJAD-GOSISDBHSA-N 1 3 315.461 2.352 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCC1 ZINC001039051037 691003754 /nfs/dbraw/zinc/00/37/54/691003754.db2.gz RSKGNTOYICYBFT-KRWDZBQOSA-N 1 3 315.461 2.352 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@H+]1CC1CCC1 ZINC001039051037 691003758 /nfs/dbraw/zinc/00/37/58/691003758.db2.gz RSKGNTOYICYBFT-KRWDZBQOSA-N 1 3 315.461 2.352 20 0 DEADHO CC(C)=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC001040109096 691198279 /nfs/dbraw/zinc/19/82/79/691198279.db2.gz OYXNAYPGVXOKEJ-HKUYNNGSSA-N 1 3 319.493 2.361 20 0 DEADHO CC(C)=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC001040109096 691198280 /nfs/dbraw/zinc/19/82/80/691198280.db2.gz OYXNAYPGVXOKEJ-HKUYNNGSSA-N 1 3 319.493 2.361 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@@]2(C1)CCC[N@H+](CCC1CC1)C2 ZINC001040421606 691245895 /nfs/dbraw/zinc/24/58/95/691245895.db2.gz HCACFAYHJXONSU-SFHVURJKSA-N 1 3 316.449 2.067 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@@]2(C1)CCC[N@@H+](CCC1CC1)C2 ZINC001040421606 691245899 /nfs/dbraw/zinc/24/58/99/691245899.db2.gz HCACFAYHJXONSU-SFHVURJKSA-N 1 3 316.449 2.067 20 0 DEADHO CC(C)C[NH+]1CCC2(CCN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001040848426 691292919 /nfs/dbraw/zinc/29/29/19/691292919.db2.gz HPYUIOJEHVWQNJ-KRWDZBQOSA-N 1 3 321.509 2.299 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041358760 691367280 /nfs/dbraw/zinc/36/72/80/691367280.db2.gz QTUSOVCOSYYZPA-APWZRJJASA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C)C[N@H+]1CC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041358760 691367281 /nfs/dbraw/zinc/36/72/81/691367281.db2.gz QTUSOVCOSYYZPA-APWZRJJASA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001041842089 691443469 /nfs/dbraw/zinc/44/34/69/691443469.db2.gz ANVUOOVAEPTOML-IBGZPJMESA-N 1 3 315.461 2.306 20 0 DEADHO CC[N@H+]1CC[C@]2(CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001041842089 691443472 /nfs/dbraw/zinc/44/34/72/691443472.db2.gz ANVUOOVAEPTOML-IBGZPJMESA-N 1 3 315.461 2.306 20 0 DEADHO C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCC2(CCOCC2)CO1 ZINC000883254158 691466573 /nfs/dbraw/zinc/46/65/73/691466573.db2.gz LSKHDIABOOKWLG-BBWFWOEESA-N 1 3 308.466 2.179 20 0 DEADHO C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCC2(CCOCC2)CO1 ZINC000883254158 691466574 /nfs/dbraw/zinc/46/65/74/691466574.db2.gz LSKHDIABOOKWLG-BBWFWOEESA-N 1 3 308.466 2.179 20 0 DEADHO CN1CC[C@H]([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)CC1(C)C ZINC000883362969 691489711 /nfs/dbraw/zinc/48/97/11/691489711.db2.gz RVYUADDBESOZKO-IUCAKERBSA-N 1 3 304.303 2.007 20 0 DEADHO O=C(CC[N@@H+]1CCNCCC12CCC2)Nc1ccccc1F ZINC000883458082 691516383 /nfs/dbraw/zinc/51/63/83/691516383.db2.gz WHDDBDNLRSLWST-UHFFFAOYSA-N 1 3 305.397 2.372 20 0 DEADHO O=C(CC[N@H+]1CCNCCC12CCC2)Nc1ccccc1F ZINC000883458082 691516386 /nfs/dbraw/zinc/51/63/86/691516386.db2.gz WHDDBDNLRSLWST-UHFFFAOYSA-N 1 3 305.397 2.372 20 0 DEADHO CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000884178683 691675051 /nfs/dbraw/zinc/67/50/51/691675051.db2.gz RXSFJHZYNUWXFO-SJORKVTESA-N 1 3 315.461 2.185 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H]2C[NH2+]CC2(C)C)C1 ZINC000884201356 691681221 /nfs/dbraw/zinc/68/12/21/691681221.db2.gz WFBTVRYVJCTDKY-DJIMGWMZSA-N 1 3 315.461 2.184 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@H]2C[NH2+]CC2CCCC2)CCC1 ZINC001045065625 691934767 /nfs/dbraw/zinc/93/47/67/691934767.db2.gz BCDBETSFSRMRHK-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)Cc2c[nH]cn2)cc1 ZINC001045218086 691952955 /nfs/dbraw/zinc/95/29/55/691952955.db2.gz HUNTZMFZDUBVPF-KRWDZBQOSA-N 1 3 312.417 2.041 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045219150 691953177 /nfs/dbraw/zinc/95/31/77/691953177.db2.gz HRZBNZIASQPPNI-INIZCTEOSA-N 1 3 304.438 2.113 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001045310918 691961671 /nfs/dbraw/zinc/96/16/71/691961671.db2.gz WJKPPACAQNRIIO-SFHVURJKSA-N 1 3 315.461 2.171 20 0 DEADHO C[N@H+](C[C@@H]1CCN(Cc2ccccc2)C1)C[C@@](C)(O)C(F)F ZINC000886028844 691987537 /nfs/dbraw/zinc/98/75/37/691987537.db2.gz YTXSONKMEIQWET-DOTOQJQBSA-N 1 3 312.404 2.456 20 0 DEADHO C[N@@H+](C[C@@H]1CCN(Cc2ccccc2)C1)C[C@@](C)(O)C(F)F ZINC000886028844 691987538 /nfs/dbraw/zinc/98/75/38/691987538.db2.gz YTXSONKMEIQWET-DOTOQJQBSA-N 1 3 312.404 2.456 20 0 DEADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H]1CCC2(CCC2)CO1 ZINC000886090436 692001360 /nfs/dbraw/zinc/00/13/60/692001360.db2.gz XXFCYZRKMJVEBK-SFHVURJKSA-N 1 3 323.525 2.294 20 0 DEADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H]1CCC2(CCC2)CO1 ZINC000886090436 692001363 /nfs/dbraw/zinc/00/13/63/692001363.db2.gz XXFCYZRKMJVEBK-SFHVURJKSA-N 1 3 323.525 2.294 20 0 DEADHO CC(C)(C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CC1)C2)N1CCCC1 ZINC001047125248 692376860 /nfs/dbraw/zinc/37/68/60/692376860.db2.gz BLLGNWXTIJYXGB-ULQDDVLXSA-N 1 3 319.493 2.240 20 0 DEADHO CC(C)(C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CC1)C2)N1CCCC1 ZINC001047125248 692376864 /nfs/dbraw/zinc/37/68/64/692376864.db2.gz BLLGNWXTIJYXGB-ULQDDVLXSA-N 1 3 319.493 2.240 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)CC[N@@H+]1C ZINC000888874746 692621135 /nfs/dbraw/zinc/62/11/35/692621135.db2.gz WHVVBKVIAHRTOB-XIRDDKMYSA-N 1 3 315.461 2.236 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)CC[N@H+]1C ZINC000888874746 692621139 /nfs/dbraw/zinc/62/11/39/692621139.db2.gz WHVVBKVIAHRTOB-XIRDDKMYSA-N 1 3 315.461 2.236 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001049534925 692915447 /nfs/dbraw/zinc/91/54/47/692915447.db2.gz XOOXXVBQGSQZNB-BBWFWOEESA-N 1 3 309.498 2.294 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001049534925 692915448 /nfs/dbraw/zinc/91/54/48/692915448.db2.gz XOOXXVBQGSQZNB-BBWFWOEESA-N 1 3 309.498 2.294 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC1CC1)N(C)C ZINC001049698053 692968203 /nfs/dbraw/zinc/96/82/03/692968203.db2.gz BISMPXCSRDLFMY-KZNAEPCWSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC1CC1)N(C)C ZINC001049698053 692968204 /nfs/dbraw/zinc/96/82/04/692968204.db2.gz BISMPXCSRDLFMY-KZNAEPCWSA-N 1 3 321.509 2.438 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC3(C2)CC[NH+](CC2CC2)CC3)C1 ZINC001050661026 693227028 /nfs/dbraw/zinc/22/70/28/693227028.db2.gz MUPFRYYJKUMJGX-UHFFFAOYSA-N 1 3 319.493 2.053 20 0 DEADHO CC(C)C[NH+]1CCC2(CN(C(=O)CN3[C@H](C)CC[C@H]3C)C2)CC1 ZINC001050766741 693246992 /nfs/dbraw/zinc/24/69/92/693246992.db2.gz VSQLIZJSNPBGDF-IAGOWNOFSA-N 1 3 321.509 2.440 20 0 DEADHO c1ccn2c(c1)nnc2CCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925512084 693286606 /nfs/dbraw/zinc/28/66/06/693286606.db2.gz ZEWMZLDREBAZGE-HZPDHXFCSA-N 1 3 313.449 2.030 20 0 DEADHO c1ccc([C@H](CN2CCCC2)N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1 ZINC000925518309 693287568 /nfs/dbraw/zinc/28/75/68/693287568.db2.gz OQHMSWMRRKQOMM-GNVSMLMZSA-N 1 3 311.473 2.410 20 0 DEADHO O[C@H](CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)COc1ccccc1 ZINC000925534103 693290754 /nfs/dbraw/zinc/29/07/54/693290754.db2.gz SCHYDYLHEGGSQG-BHIYHBOVSA-N 1 3 318.461 2.184 20 0 DEADHO COc1ccc(OC)c([C@H](O)CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925537644 693292182 /nfs/dbraw/zinc/29/21/82/693292182.db2.gz LDFMLDLZJOBHGF-DVOMOZLQSA-N 1 3 322.449 2.233 20 0 DEADHO CCC[C@H](C)C(=O)NCCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925678727 693323539 /nfs/dbraw/zinc/32/35/39/693323539.db2.gz WYOFKZSFYSHMTB-XIRDDKMYSA-N 1 3 309.498 2.297 20 0 DEADHO CCS(=O)(=O)C1(CN[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925706507 693327536 /nfs/dbraw/zinc/32/75/36/693327536.db2.gz KLWGOYUZTIKBQC-OAHLLOKOSA-N 1 3 310.463 2.024 20 0 DEADHO Cn1c2cc(CN[C@@H]3C[C@H]([NH3+])CC(C)(C)C3)ccc2oc1=O ZINC000925719652 693329268 /nfs/dbraw/zinc/32/92/68/693329268.db2.gz UKVQELVBULLOTA-QWHCGFSZSA-N 1 3 303.406 2.127 20 0 DEADHO C[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc2c(c1)OCCO2 ZINC000925780037 693341172 /nfs/dbraw/zinc/34/11/72/693341172.db2.gz QUDAYCNLCZPBNO-AAEUAGOBSA-N 1 3 312.360 2.353 20 0 DEADHO C[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc2c(c1)OCCO2 ZINC000925780040 693341207 /nfs/dbraw/zinc/34/12/07/693341207.db2.gz QUDAYCNLCZPBNO-YPMHNXCESA-N 1 3 312.360 2.353 20 0 DEADHO CC[C@H](CN1CCOCC1)N[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000925824492 693348134 /nfs/dbraw/zinc/34/81/34/693348134.db2.gz YPIFFKVHSLKJEY-GUDVDZBRSA-N 1 3 317.477 2.180 20 0 DEADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC1(C2(O)CCOCC2)CC1 ZINC000925828089 693348465 /nfs/dbraw/zinc/34/84/65/693348465.db2.gz ZMGJEDFAASOJFW-JKSUJKDBSA-N 1 3 310.482 2.209 20 0 DEADHO COc1ccccc1[C@@H](C)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925854041 693354244 /nfs/dbraw/zinc/35/42/44/693354244.db2.gz JXJLYVSPLNYJAH-KGLIPLIRSA-N 1 3 318.417 2.031 20 0 DEADHO CCC[C@@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccnc1 ZINC000925853116 693354266 /nfs/dbraw/zinc/35/42/66/693354266.db2.gz YRLRLZFZINOIBJ-JKSUJKDBSA-N 1 3 317.433 2.198 20 0 DEADHO CCC[C@@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccnc1 ZINC000925853115 693354416 /nfs/dbraw/zinc/35/44/16/693354416.db2.gz YRLRLZFZINOIBJ-HZPDHXFCSA-N 1 3 317.433 2.198 20 0 DEADHO CN1CCN(CC[NH2+][C@H]2CCOC23CCCCC3)CC1(C)C ZINC000926357366 693436408 /nfs/dbraw/zinc/43/64/08/693436408.db2.gz ORFLRFVJBQZMQC-INIZCTEOSA-N 1 3 309.498 2.094 20 0 DEADHO CC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(OC)n1 ZINC000926357168 693436507 /nfs/dbraw/zinc/43/65/07/693436507.db2.gz NOIZUEHFTPOEPM-HNNXBMFYSA-N 1 3 320.481 2.157 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCF)CC1 ZINC001052378481 693518789 /nfs/dbraw/zinc/51/87/89/693518789.db2.gz WGBUQJKFJDIXNN-CVEARBPZSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCF)CC1 ZINC001052378481 693518793 /nfs/dbraw/zinc/51/87/93/693518793.db2.gz WGBUQJKFJDIXNN-CVEARBPZSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H](N[C@@H]1CC(=O)N(CC2CC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000926866366 693520573 /nfs/dbraw/zinc/52/05/73/693520573.db2.gz OZPWRCUFQPHVNF-RDTXWAMCSA-N 1 3 315.461 2.410 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001052702286 693599087 /nfs/dbraw/zinc/59/90/87/693599087.db2.gz LYDCYKRASMEHGH-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001052702286 693599090 /nfs/dbraw/zinc/59/90/90/693599090.db2.gz LYDCYKRASMEHGH-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CCC)CC1 ZINC001052985583 693661991 /nfs/dbraw/zinc/66/19/91/693661991.db2.gz TYIXZPTYKDMODW-CALCHBBNSA-N 1 3 307.482 2.336 20 0 DEADHO CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053029402 693673679 /nfs/dbraw/zinc/67/36/79/693673679.db2.gz RDODLLBXUNUAHO-IAGOWNOFSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053029402 693673682 /nfs/dbraw/zinc/67/36/82/693673682.db2.gz RDODLLBXUNUAHO-IAGOWNOFSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053038298 693675101 /nfs/dbraw/zinc/67/51/01/693675101.db2.gz GSQZEJVHNVBVIZ-HOTGVXAUSA-N 1 3 318.465 2.313 20 0 DEADHO CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053038298 693675104 /nfs/dbraw/zinc/67/51/04/693675104.db2.gz GSQZEJVHNVBVIZ-HOTGVXAUSA-N 1 3 318.465 2.313 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]([NH2+]Cc1ccccc1)C1CC1 ZINC001402377418 1162336774 /nfs/dbraw/zinc/33/67/74/1162336774.db2.gz NZQWDVCPNOOOOC-QGZVFWFLSA-N 1 3 303.450 2.011 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CC=C(Cl)Cl)C2)CCC1 ZINC001402493758 1162369510 /nfs/dbraw/zinc/36/95/10/1162369510.db2.gz LVKMKBKJYFNBEO-XYPYZODXSA-N 1 3 320.264 2.027 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2F)C1)N(C)C ZINC001402533867 1162382808 /nfs/dbraw/zinc/38/28/08/1162382808.db2.gz GFXHBBQVVWCZPT-ZOBUZTSGSA-N 1 3 321.440 2.149 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)CCCC[NH2+]C)N(C)C)cc1 ZINC001357327267 1152289168 /nfs/dbraw/zinc/28/91/68/1152289168.db2.gz VDOKVZIXIAZDGL-QGZVFWFLSA-N 1 3 305.466 2.358 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001402798011 1162475079 /nfs/dbraw/zinc/47/50/79/1162475079.db2.gz XGTTUXKFEPBIGR-AEFFLSMTSA-N 1 3 317.477 2.273 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]CC1CC1)C1CC1)N1CCCCC1 ZINC001379922874 1152713836 /nfs/dbraw/zinc/71/38/36/1152713836.db2.gz SFYZKYRUVDXKCR-ROUUACIJSA-N 1 3 321.509 2.391 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCC1)N(C)C ZINC001380021386 1152733004 /nfs/dbraw/zinc/73/30/04/1152733004.db2.gz PHONJPGLQXDRCT-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+]1CCC1CCCC1)N(C)C ZINC001380021386 1152733006 /nfs/dbraw/zinc/73/30/06/1152733006.db2.gz PHONJPGLQXDRCT-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)C1CCCCCC1 ZINC001380179876 1152763294 /nfs/dbraw/zinc/76/32/94/1152763294.db2.gz QYWNWUQUBMXZOC-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)C1CCCCCC1 ZINC001380179876 1152763295 /nfs/dbraw/zinc/76/32/95/1152763295.db2.gz QYWNWUQUBMXZOC-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H]1C[C@@H](C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC[N@@H+]1C ZINC001361871539 1152763774 /nfs/dbraw/zinc/76/37/74/1152763774.db2.gz VZQACUQDULEMRG-RYQLBKOJSA-N 1 3 317.477 2.006 20 0 DEADHO C[C@H]1C[C@@H](C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC[N@H+]1C ZINC001361871539 1152763777 /nfs/dbraw/zinc/76/37/77/1152763777.db2.gz VZQACUQDULEMRG-RYQLBKOJSA-N 1 3 317.477 2.006 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)CCN1C(=O)Cc1c[nH]cn1 ZINC001380265480 1152778193 /nfs/dbraw/zinc/77/81/93/1152778193.db2.gz IYFMJYJIJRUSPX-KBPBESRZSA-N 1 3 306.454 2.358 20 0 DEADHO Cc1ccc(CN(CCN(C)C)C(=O)[C@@H](C)CC[NH+](C)C)o1 ZINC001361973504 1152790451 /nfs/dbraw/zinc/79/04/51/1152790451.db2.gz GBZHXIVQYZZNLB-AWEZNQCLSA-N 1 3 309.454 2.066 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccccc2)C1)N(C)C ZINC001380424743 1152810226 /nfs/dbraw/zinc/81/02/26/1152810226.db2.gz RFIGQJGEHHWDSY-HKUYNNGSSA-N 1 3 317.477 2.355 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC001362048725 1152810710 /nfs/dbraw/zinc/81/07/10/1152810710.db2.gz PBUQTKRXOGOXTM-UHFFFAOYSA-N 1 3 304.438 2.174 20 0 DEADHO CC(C)CCC[N@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001380704545 1152847001 /nfs/dbraw/zinc/84/70/01/1152847001.db2.gz LMOOQKAQUKLGPR-CALCHBBNSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)CCC[N@@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001380704545 1152847004 /nfs/dbraw/zinc/84/70/04/1152847004.db2.gz LMOOQKAQUKLGPR-CALCHBBNSA-N 1 3 321.509 2.297 20 0 DEADHO CN(C)C1(C(=O)NCC2([NH2+]CC3CCCC3)CCC2)CCC1 ZINC001380859871 1152867901 /nfs/dbraw/zinc/86/79/01/1152867901.db2.gz JZXVHCYXSFSHGR-UHFFFAOYSA-N 1 3 307.482 2.289 20 0 DEADHO C[C@H](CC[NH+](C)C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001362330607 1152879141 /nfs/dbraw/zinc/87/91/41/1152879141.db2.gz ZVAZZHGYRUVBPY-NUJGCVRESA-N 1 3 317.477 2.211 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2CC[N@H+](CCC3CC3)CC2(C)C)CCC1 ZINC001381146541 1152925447 /nfs/dbraw/zinc/92/54/47/1152925447.db2.gz YLJYKAKUQURHHF-INIZCTEOSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2CC[N@@H+](CCC3CC3)CC2(C)C)CCC1 ZINC001381146541 1152925448 /nfs/dbraw/zinc/92/54/48/1152925448.db2.gz YLJYKAKUQURHHF-INIZCTEOSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]CCC(F)(F)F)N(C)C ZINC001381210984 1152952390 /nfs/dbraw/zinc/95/23/90/1152952390.db2.gz LPBIQUNFDPTRMG-NWDGAFQWSA-N 1 3 311.392 2.009 20 0 DEADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)NCc1cc2ccccc2o1 ZINC001381416934 1153049246 /nfs/dbraw/zinc/04/92/46/1153049246.db2.gz IHAKOWXADZBLIW-UONOGXRCSA-N 1 3 317.433 2.367 20 0 DEADHO CC1CC[NH+](CC[C@@H]2CCCN2C(=O)Cc2c[nH]cn2)CC1 ZINC001362775917 1153084654 /nfs/dbraw/zinc/08/46/54/1153084654.db2.gz NUZCRILWIIBZHR-INIZCTEOSA-N 1 3 304.438 2.065 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C3CCCC3)[C@H](C)C2)CC[N@@H+]1C ZINC001362902025 1153136051 /nfs/dbraw/zinc/13/60/51/1153136051.db2.gz RRGFKBNVCWOEGH-HYVNUMGLSA-N 1 3 307.482 2.192 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C3CCCC3)[C@H](C)C2)CC[N@H+]1C ZINC001362902025 1153136055 /nfs/dbraw/zinc/13/60/55/1153136055.db2.gz RRGFKBNVCWOEGH-HYVNUMGLSA-N 1 3 307.482 2.192 20 0 DEADHO C[NH+](C)CCc1cccc(C(=O)N[C@@]2(C)CN3CCC2CC3)c1 ZINC001362930119 1153147045 /nfs/dbraw/zinc/14/70/45/1153147045.db2.gz AZAMDWJGRJYPRB-IBGZPJMESA-N 1 3 315.461 2.005 20 0 DEADHO COc1ccc([C@@H](CN(C)C)NC(=O)[C@H](C)CC[NH+](C)C)cc1 ZINC001363173804 1153254032 /nfs/dbraw/zinc/25/40/32/1153254032.db2.gz JGNWIRJWMCAWOC-RHSMWYFYSA-N 1 3 321.465 2.002 20 0 DEADHO CCCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC001363248742 1153293413 /nfs/dbraw/zinc/29/34/13/1153293413.db2.gz ZFSQGVPYBHWGEB-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]Cc1cccc(F)c1 ZINC001382112295 1153361334 /nfs/dbraw/zinc/36/13/34/1153361334.db2.gz AFZHOWNPVIPDFC-LSDHHAIUSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@H](C[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)CN1CCOCC1 ZINC001363806931 1153641188 /nfs/dbraw/zinc/64/11/88/1153641188.db2.gz SYKPVTVPKDSSBB-SQNIBIBYSA-N 1 3 323.525 2.197 20 0 DEADHO C[C@H](C[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)CN(C)C ZINC001363870176 1153681823 /nfs/dbraw/zinc/68/18/23/1153681823.db2.gz HWDNFQQNUSTSJK-NEPJUHHUSA-N 1 3 323.428 2.322 20 0 DEADHO C[C@H](CNC[C@H](CC(F)F)NC(=O)OC(C)(C)C)C[NH+](C)C ZINC001363870176 1153681833 /nfs/dbraw/zinc/68/18/33/1153681833.db2.gz HWDNFQQNUSTSJK-NEPJUHHUSA-N 1 3 323.428 2.322 20 0 DEADHO Cn1cc(CN2CCC(C[NH+](C)C)CC2)c(C2CCOCC2)n1 ZINC001363889712 1153696766 /nfs/dbraw/zinc/69/67/66/1153696766.db2.gz NNFQOHLYPOCTDM-UHFFFAOYSA-N 1 3 320.481 2.088 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCc3ccccc32)C1)N(C)C ZINC001389891883 1155464537 /nfs/dbraw/zinc/46/45/37/1155464537.db2.gz ZSRJICSEKNRGAJ-LAQRGFTBSA-N 1 3 315.461 2.251 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC001390066505 1155517721 /nfs/dbraw/zinc/51/77/21/1155517721.db2.gz UXNVAGVTGADQRC-CYBMUJFWSA-N 1 3 323.403 2.107 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC001390066505 1155517739 /nfs/dbraw/zinc/51/77/39/1155517739.db2.gz UXNVAGVTGADQRC-CYBMUJFWSA-N 1 3 323.403 2.107 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001390156034 1155548304 /nfs/dbraw/zinc/54/83/04/1155548304.db2.gz DGOVOHDADQAVFJ-CJNGLKHVSA-N 1 3 318.465 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001390156034 1155548311 /nfs/dbraw/zinc/54/83/11/1155548311.db2.gz DGOVOHDADQAVFJ-CJNGLKHVSA-N 1 3 318.465 2.277 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@H]1CCc2c1cccc2F ZINC001403102783 1162716198 /nfs/dbraw/zinc/71/61/98/1162716198.db2.gz NJNZAQPOMIZBQZ-DYVFJYSZSA-N 1 3 321.440 2.249 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](C)CC(C)C)C[C@H]21)N(C)C ZINC001371037379 1155666430 /nfs/dbraw/zinc/66/64/30/1155666430.db2.gz SPHDOHFNZVCJOD-FIDHJVLJSA-N 1 3 309.498 2.055 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)CC(C)C)C[C@H]21)N(C)C ZINC001371037379 1155666433 /nfs/dbraw/zinc/66/64/33/1155666433.db2.gz SPHDOHFNZVCJOD-FIDHJVLJSA-N 1 3 309.498 2.055 20 0 DEADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H](C)c1ccccc1 ZINC001390391422 1155695194 /nfs/dbraw/zinc/69/51/94/1155695194.db2.gz BEFCRXHATWDYRR-CABCVRRESA-N 1 3 303.450 2.326 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001390405396 1155704289 /nfs/dbraw/zinc/70/42/89/1155704289.db2.gz TVIZMYFLBXPNDT-WBVHZDCISA-N 1 3 305.466 2.176 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)NC/C=C\Cl ZINC001371199938 1155779723 /nfs/dbraw/zinc/77/97/23/1155779723.db2.gz JKLRZEQOSYKFGH-UDDXRPRYSA-N 1 3 313.873 2.240 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)NC/C=C\Cl ZINC001371199938 1155779731 /nfs/dbraw/zinc/77/97/31/1155779731.db2.gz JKLRZEQOSYKFGH-UDDXRPRYSA-N 1 3 313.873 2.240 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001371241720 1155804097 /nfs/dbraw/zinc/80/40/97/1155804097.db2.gz GYZJNIISCKJRFQ-XJKSGUPXSA-N 1 3 309.429 2.069 20 0 DEADHO Cc1ccc(F)cc1C[NH2+][C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001371361783 1155833938 /nfs/dbraw/zinc/83/39/38/1155833938.db2.gz HITKIJNOECKPTH-UKRRQHHQSA-N 1 3 321.440 2.070 20 0 DEADHO CC[N@H+](C)CCC(=O)NCCN(C)[C@@H](C)c1ccc(F)cc1 ZINC001390841464 1155888688 /nfs/dbraw/zinc/88/86/88/1155888688.db2.gz AJBFELOYINGKID-AWEZNQCLSA-N 1 3 309.429 2.277 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCCN(C)[C@@H](C)c1ccc(F)cc1 ZINC001390841464 1155888691 /nfs/dbraw/zinc/88/86/91/1155888691.db2.gz AJBFELOYINGKID-AWEZNQCLSA-N 1 3 309.429 2.277 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](C)C[C@@H]1CCCC(F)(F)C1)N(C)C ZINC001390848762 1155890196 /nfs/dbraw/zinc/89/01/96/1155890196.db2.gz XLLPAHSPJUNHLY-KGLIPLIRSA-N 1 3 319.440 2.200 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](C)C[C@@H]1CCCC(F)(F)C1)N(C)C ZINC001390848762 1155890197 /nfs/dbraw/zinc/89/01/97/1155890197.db2.gz XLLPAHSPJUNHLY-KGLIPLIRSA-N 1 3 319.440 2.200 20 0 DEADHO CC[C@@H](C(=O)N1CCC(C[N@H+](C)C/C=C\Cl)CC1)N(C)C ZINC001391366931 1156363194 /nfs/dbraw/zinc/36/31/94/1156363194.db2.gz KLUORCFZXWCJSJ-AJHXJQRKSA-N 1 3 315.889 2.250 20 0 DEADHO CC[C@@H](C(=O)N1CCC(C[N@@H+](C)C/C=C\Cl)CC1)N(C)C ZINC001391366931 1156363202 /nfs/dbraw/zinc/36/32/02/1156363202.db2.gz KLUORCFZXWCJSJ-AJHXJQRKSA-N 1 3 315.889 2.250 20 0 DEADHO C[C@@H](c1ccccc1F)N1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001372644881 1156631894 /nfs/dbraw/zinc/63/18/94/1156631894.db2.gz DYXHFQMMUQIIQQ-GJZGRUSLSA-N 1 3 321.440 2.277 20 0 DEADHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC1CC2(CCC2)C1 ZINC001391715721 1156725718 /nfs/dbraw/zinc/72/57/18/1156725718.db2.gz BKCMEKGLTRGNLO-RDJZCZTQSA-N 1 3 321.509 2.393 20 0 DEADHO CCCN(C)CC(=O)N1CCC(C[N@H+](C)CCC2CC2)CC1 ZINC001373329835 1156988730 /nfs/dbraw/zinc/98/87/30/1156988730.db2.gz JFCQNGNVUKYYND-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001392481445 1157068147 /nfs/dbraw/zinc/06/81/47/1157068147.db2.gz ACPQAEHKABCAEA-CQSZACIVSA-N 1 3 321.440 2.213 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1C[NH+](CC2CCCC2)C1 ZINC001373558887 1157094552 /nfs/dbraw/zinc/09/45/52/1157094552.db2.gz CFFYTBSKGDAOHV-GASCZTMLSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1C[NH+](CC2CCCC2)C1 ZINC001373558889 1157094872 /nfs/dbraw/zinc/09/48/72/1157094872.db2.gz CFFYTBSKGDAOHV-HUUCEWRRSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CCCCC[N@@H+]1CCCF)N(C)C ZINC001403291213 1162840660 /nfs/dbraw/zinc/84/06/60/1162840660.db2.gz PYUWOYAHGZKZCS-CVEARBPZSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CCCCC[N@H+]1CCCF)N(C)C ZINC001403291213 1162840661 /nfs/dbraw/zinc/84/06/61/1162840661.db2.gz PYUWOYAHGZKZCS-CVEARBPZSA-N 1 3 315.477 2.293 20 0 DEADHO C[C@@H](NC[C@H](C)NC(=O)CC[NH+](C)C)c1ccc(F)c(F)c1 ZINC001392596769 1157189589 /nfs/dbraw/zinc/18/95/89/1157189589.db2.gz WFENDMYKTXBBDG-NWDGAFQWSA-N 1 3 313.392 2.072 20 0 DEADHO CN(CC(=O)N[C@H](C[NH2+]Cc1ccccc1)C1CC1)C1CCC1 ZINC001392775673 1157404967 /nfs/dbraw/zinc/40/49/67/1157404967.db2.gz PILLXPSOIAJFBC-GOSISDBHSA-N 1 3 315.461 2.155 20 0 DEADHO Cc1cccc([C@H](C)N(C)CCNC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001492816957 1157578971 /nfs/dbraw/zinc/57/89/71/1157578971.db2.gz NEPKBLHISADVAL-DLBZAZTESA-N 1 3 317.477 2.446 20 0 DEADHO Cc1cccc([C@H](C)N(C)CCNC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001492816957 1157578989 /nfs/dbraw/zinc/57/89/89/1157578989.db2.gz NEPKBLHISADVAL-DLBZAZTESA-N 1 3 317.477 2.446 20 0 DEADHO Cc1cccc(C[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001374099973 1157624507 /nfs/dbraw/zinc/62/45/07/1157624507.db2.gz SPZFINOHLMIFAN-WMZOPIPTSA-N 1 3 319.493 2.423 20 0 DEADHO CC(C)[C@H](C(=O)NCC1([NH2+]CC[C@H](C)F)CCCC1)N(C)C ZINC001374178425 1157693266 /nfs/dbraw/zinc/69/32/66/1157693266.db2.gz XHFKFFFPFHYTQU-LSDHHAIUSA-N 1 3 315.477 2.339 20 0 DEADHO CC(C)[NH2+]C[C@H](C)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001374284922 1157802281 /nfs/dbraw/zinc/80/22/81/1157802281.db2.gz WGZOEQCNRIEPDS-BBRMVZONSA-N 1 3 301.450 2.044 20 0 DEADHO CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001374322890 1157812653 /nfs/dbraw/zinc/81/26/53/1157812653.db2.gz UPOYJRBYDYGMBR-RHSMWYFYSA-N 1 3 323.456 2.348 20 0 DEADHO CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C2 ZINC001393396577 1157820521 /nfs/dbraw/zinc/82/05/21/1157820521.db2.gz MJSFFEFVSPKXDE-MUJYYYPQSA-N 1 3 309.498 2.343 20 0 DEADHO CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C2 ZINC001393396577 1157820522 /nfs/dbraw/zinc/82/05/22/1157820522.db2.gz MJSFFEFVSPKXDE-MUJYYYPQSA-N 1 3 309.498 2.343 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN(C)Cc1ccccc1 ZINC001374501713 1157878747 /nfs/dbraw/zinc/87/87/47/1157878747.db2.gz IMOHTYCWZGXKMH-GOSISDBHSA-N 1 3 317.477 2.451 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCN(C)Cc1ccccc1 ZINC001374501713 1157878749 /nfs/dbraw/zinc/87/87/49/1157878749.db2.gz IMOHTYCWZGXKMH-GOSISDBHSA-N 1 3 317.477 2.451 20 0 DEADHO CC[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1cccc(F)c1)N(C)C ZINC001393632327 1157889504 /nfs/dbraw/zinc/88/95/04/1157889504.db2.gz GUJVGXWPVHPSCX-KRWDZBQOSA-N 1 3 323.456 2.446 20 0 DEADHO CC[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1cccc(F)c1)N(C)C ZINC001393632327 1157889505 /nfs/dbraw/zinc/88/95/05/1157889505.db2.gz GUJVGXWPVHPSCX-KRWDZBQOSA-N 1 3 323.456 2.446 20 0 DEADHO C[C@@H](NC(=O)C(C)(C)N1CCCC1)[C@@H](C)[NH2+]CCC(F)(F)F ZINC001393964929 1158104488 /nfs/dbraw/zinc/10/44/88/1158104488.db2.gz ULMSGCIEGCPTGU-VXGBXAGGSA-N 1 3 323.403 2.296 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N(C)Cc1ccc(F)cc1 ZINC001394127169 1158319946 /nfs/dbraw/zinc/31/99/46/1158319946.db2.gz KOWMNMUVNRZQAH-AWEZNQCLSA-N 1 3 309.429 2.104 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N(C)Cc1ccc(F)cc1 ZINC001394127169 1158319952 /nfs/dbraw/zinc/31/99/52/1158319952.db2.gz KOWMNMUVNRZQAH-AWEZNQCLSA-N 1 3 309.429 2.104 20 0 DEADHO Cc1ccc(F)c(CNC[C@H](NC(=O)CC[NH+](C)C)C2CC2)c1 ZINC001375249793 1158400880 /nfs/dbraw/zinc/40/08/80/1158400880.db2.gz CYUYPMGBLAEBFY-KRWDZBQOSA-N 1 3 321.440 2.070 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C)cc2)C1)N(C)C ZINC001394393048 1158477760 /nfs/dbraw/zinc/47/77/60/1158477760.db2.gz RFEANOSHXMOGRF-KZNAEPCWSA-N 1 3 317.477 2.320 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2csc(C)c2)CC1 ZINC001375531795 1158804617 /nfs/dbraw/zinc/80/46/17/1158804617.db2.gz RQASLFAPQHSFCJ-UHFFFAOYSA-N 1 3 309.479 2.137 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C1CC[NH+](C[C@@H](F)CC)CC1)N(C)C ZINC001394844849 1158810691 /nfs/dbraw/zinc/81/06/91/1158810691.db2.gz JPOMWUKUJXBHGX-CWRNSKLLSA-N 1 3 315.477 2.291 20 0 DEADHO CC(C)CC[NH2+]C1CC(N(C)C(=O)CN2CCC(C)CC2)C1 ZINC001394860249 1158816496 /nfs/dbraw/zinc/81/64/96/1158816496.db2.gz KHCWMXPQVHQENV-UHFFFAOYSA-N 1 3 309.498 2.343 20 0 DEADHO C[NH+](C)CCC(=O)N1CCC2(C1)CCN(C/C=C/Cl)CC2 ZINC001375637085 1158835304 /nfs/dbraw/zinc/83/53/04/1158835304.db2.gz WTAZLFPTRDKMCE-FPYGCLRLSA-N 1 3 313.873 2.005 20 0 DEADHO Cc1ccc(CN2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)cc1C ZINC001376067644 1159082906 /nfs/dbraw/zinc/08/29/06/1159082906.db2.gz CVIYKNKRUSRIBR-GOSISDBHSA-N 1 3 317.477 2.336 20 0 DEADHO CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001376281058 1159311292 /nfs/dbraw/zinc/31/12/92/1159311292.db2.gz IEELVABNNPNVSO-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001376366483 1159364638 /nfs/dbraw/zinc/36/46/38/1159364638.db2.gz AGDKSLMDGOZCMH-KKUMJFAQSA-N 1 3 313.461 2.236 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C1)N(C)C ZINC001376471978 1159457204 /nfs/dbraw/zinc/45/72/04/1159457204.db2.gz ZSYLZUDZUAUWNE-GADNRMJZSA-N 1 3 309.498 2.390 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H]1CCC[N@H+](CCCF)C1 ZINC001376613694 1159600813 /nfs/dbraw/zinc/60/08/13/1159600813.db2.gz AAQMLVNWGOTCNF-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H]1CCC[N@@H+](CCCF)C1 ZINC001376613694 1159600831 /nfs/dbraw/zinc/60/08/31/1159600831.db2.gz AAQMLVNWGOTCNF-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO Cc1cc(C)cc(C[NH2+][C@@H](C)CNC(=O)CN2CC[C@H](C)C2)c1 ZINC001376804382 1159807018 /nfs/dbraw/zinc/80/70/18/1159807018.db2.gz VCZPNWDFBIDTDZ-YOEHRIQHSA-N 1 3 317.477 2.240 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N[C@@H](C)c1ccccc1F ZINC001376836412 1159818572 /nfs/dbraw/zinc/81/85/72/1159818572.db2.gz DFJMLOQBFHTJDG-KGLIPLIRSA-N 1 3 309.429 2.323 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N[C@@H](C)c1ccccc1F ZINC001376836412 1159818574 /nfs/dbraw/zinc/81/85/74/1159818574.db2.gz DFJMLOQBFHTJDG-KGLIPLIRSA-N 1 3 309.429 2.323 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccns1 ZINC001377100139 1159899454 /nfs/dbraw/zinc/89/94/54/1159899454.db2.gz CPDAEZWLAHHWIF-HIFRSBDPSA-N 1 3 324.494 2.002 20 0 DEADHO Cc1cc(C)cc(CN(C)CCNC(=O)C2CC[NH+](C)CC2)c1 ZINC001403670648 1163083058 /nfs/dbraw/zinc/08/30/58/1163083058.db2.gz DMJXRFBSOGKGPY-UHFFFAOYSA-N 1 3 317.477 2.193 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2CC[N@H+](CC3CC3)CC(C)(C)C2)CCC1 ZINC001397276237 1160104100 /nfs/dbraw/zinc/10/41/00/1160104100.db2.gz YBRUYPPUBFJVFR-INIZCTEOSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2CC[N@@H+](CC3CC3)CC(C)(C)C2)CCC1 ZINC001397276237 1160104121 /nfs/dbraw/zinc/10/41/21/1160104121.db2.gz YBRUYPPUBFJVFR-INIZCTEOSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)C1(C(=O)N2CCC(C)([NH2+]C/C=C\Cl)CC2)CCC1 ZINC001377287559 1160128682 /nfs/dbraw/zinc/12/86/82/1160128682.db2.gz UGZVJHIEFYBZQY-YHYXMXQVSA-N 1 3 313.873 2.194 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001397628090 1160371232 /nfs/dbraw/zinc/37/12/32/1160371232.db2.gz JAEDMULTBLILCS-TVFCKZIOSA-N 1 3 323.525 2.495 20 0 DEADHO CC[C@H](C(=O)N1CCC([C@@H](C)[NH2+]CCC2CC2)CC1)N(C)C ZINC001377602681 1160580863 /nfs/dbraw/zinc/58/08/63/1160580863.db2.gz BYKHNKYAYPIUOQ-RHSMWYFYSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)c1ccccc1 ZINC001377693630 1160743796 /nfs/dbraw/zinc/74/37/96/1160743796.db2.gz GQYNCBTVTZTCGQ-DLBZAZTESA-N 1 3 305.466 2.428 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C1CCC([NH2+]CC[C@H](C)F)CC1 ZINC001377932208 1160875036 /nfs/dbraw/zinc/87/50/36/1160875036.db2.gz VONFWPZKPAKRDY-FHERZECASA-N 1 3 315.477 2.434 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]([NH2+]CC1CC(C)(C)C1)C1CC1)N(C)C ZINC001398444474 1160892567 /nfs/dbraw/zinc/89/25/67/1160892567.db2.gz HEYGNWDMZIOTQK-HOTGVXAUSA-N 1 3 309.498 2.247 20 0 DEADHO CC[C@@H](F)CN(C)C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001398467018 1160899783 /nfs/dbraw/zinc/89/97/83/1160899783.db2.gz DAHYDGULXQIOOS-HZPDHXFCSA-N 1 3 315.477 2.247 20 0 DEADHO Cc1ccc(CC[NH2+][C@H]2C[C@H](NC(=O)CN(C)C(C)C)C2)cc1 ZINC001398572856 1160991029 /nfs/dbraw/zinc/99/10/29/1160991029.db2.gz JIQALNGAVWBLHD-IYARVYRRSA-N 1 3 317.477 2.115 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC001398701540 1161064632 /nfs/dbraw/zinc/06/46/32/1161064632.db2.gz UMNSHAVFPGUCRC-MRXNPFEDSA-N 1 3 321.440 2.106 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CCC[N@H+](CCC(F)(F)F)C1)N(C)C ZINC001398708525 1161068606 /nfs/dbraw/zinc/06/86/06/1161068606.db2.gz QBEUPTSLSVBEIX-CHWSQXEVSA-N 1 3 323.403 2.107 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](CCC(F)(F)F)C1)N(C)C ZINC001398708525 1161068611 /nfs/dbraw/zinc/06/86/11/1161068611.db2.gz QBEUPTSLSVBEIX-CHWSQXEVSA-N 1 3 323.403 2.107 20 0 DEADHO CC(C)CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001400580608 1161776072 /nfs/dbraw/zinc/77/60/72/1161776072.db2.gz OPGMCLVFUJCHEU-ULQDDVLXSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001400580608 1161776075 /nfs/dbraw/zinc/77/60/75/1161776075.db2.gz OPGMCLVFUJCHEU-ULQDDVLXSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)NCC=C(Cl)Cl ZINC001400913788 1161845397 /nfs/dbraw/zinc/84/53/97/1161845397.db2.gz BVJYNCJKNJKDHW-DGCLKSJQSA-N 1 3 324.296 2.376 20 0 DEADHO CCCN(C)CC(=O)N[C@]1(C[NH2+]CC2CC2)CCCC[C@H]1C ZINC001401064154 1161865726 /nfs/dbraw/zinc/86/57/26/1161865726.db2.gz VQPAOIZFBXWQIU-QAPCUYQASA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC1CCN(CCF)CC1 ZINC001401074240 1161867617 /nfs/dbraw/zinc/86/76/17/1161867617.db2.gz JQEFFNZDAGMKBQ-MRXNPFEDSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC1CCN(CCF)CC1 ZINC001401074240 1161867618 /nfs/dbraw/zinc/86/76/18/1161867618.db2.gz JQEFFNZDAGMKBQ-MRXNPFEDSA-N 1 3 313.461 2.047 20 0 DEADHO CC[N@H+](C)CCC(=O)N(C)[C@H](C)CNCc1ccccc1F ZINC001401262870 1161908936 /nfs/dbraw/zinc/90/89/36/1161908936.db2.gz RCALYNRABIRVQK-CQSZACIVSA-N 1 3 309.429 2.104 20 0 DEADHO CC[N@@H+](C)CCC(=O)N(C)[C@H](C)CNCc1ccccc1F ZINC001401262870 1161908938 /nfs/dbraw/zinc/90/89/38/1161908938.db2.gz RCALYNRABIRVQK-CQSZACIVSA-N 1 3 309.429 2.104 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CC2CCC2)C1 ZINC001401281836 1161914572 /nfs/dbraw/zinc/91/45/72/1161914572.db2.gz AYIMIHHGRPHWJL-NVXWUHKLSA-N 1 3 309.498 2.343 20 0 DEADHO CCc1ccc(C[N@H+](C)CCN(C)C(=O)CN2CCCC2)cc1 ZINC001401432644 1161991936 /nfs/dbraw/zinc/99/19/36/1161991936.db2.gz AOVVBAAMACQMFH-UHFFFAOYSA-N 1 3 317.477 2.235 20 0 DEADHO CCc1ccc(C[N@@H+](C)CCN(C)C(=O)CN2CCCC2)cc1 ZINC001401432644 1161991938 /nfs/dbraw/zinc/99/19/38/1161991938.db2.gz AOVVBAAMACQMFH-UHFFFAOYSA-N 1 3 317.477 2.235 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)cc1F ZINC001401685875 1162076244 /nfs/dbraw/zinc/07/62/44/1162076244.db2.gz DJJVBAZFQNENRL-YOEHRIQHSA-N 1 3 323.456 2.315 20 0 DEADHO Cc1ccc(F)cc1CN(C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001401775763 1162124575 /nfs/dbraw/zinc/12/45/75/1162124575.db2.gz DODBAAGPKGJQRE-AWEZNQCLSA-N 1 3 309.429 2.022 20 0 DEADHO CN(CC(=O)NCC1(C)CC[NH+](CCCF)CC1)C1CCC1 ZINC001402187057 1162279192 /nfs/dbraw/zinc/27/91/92/1162279192.db2.gz KLYIYOAXMAXYMQ-UHFFFAOYSA-N 1 3 313.461 2.049 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CC2CC(C)C2)C(C)(C)C1 ZINC001403828435 1163236256 /nfs/dbraw/zinc/23/62/56/1163236256.db2.gz GNYIELOXSDWQOG-UYSNPLJNSA-N 1 3 309.498 2.199 20 0 DEADHO CCN(CCNC(=O)CC[NH+](C)C)[C@H]1CCc2ccc(F)cc21 ZINC001403903462 1163280147 /nfs/dbraw/zinc/28/01/47/1163280147.db2.gz FFJLQJQTRAUDFG-KRWDZBQOSA-N 1 3 321.440 2.203 20 0 DEADHO CC(C)C[NH+]1CCC([C@H](C)NC(=O)C2(N(C)C)CCC2)CC1 ZINC001403989754 1163355566 /nfs/dbraw/zinc/35/55/66/1163355566.db2.gz ZAPWGMULRMKIOM-HNNXBMFYSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)NC1(C2CC[NH+](CCC3CC3)CC2)CC1)N(C)C ZINC001404035994 1163391169 /nfs/dbraw/zinc/39/11/69/1163391169.db2.gz QABXRNHPVLIULZ-KRWDZBQOSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@@H]2CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001404101933 1163446528 /nfs/dbraw/zinc/44/65/28/1163446528.db2.gz XYDHTHSUAYJSTJ-HOTGVXAUSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@@H]2CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001404101933 1163446533 /nfs/dbraw/zinc/44/65/33/1163446533.db2.gz XYDHTHSUAYJSTJ-HOTGVXAUSA-N 1 3 309.498 2.203 20 0 DEADHO CN(CC(=O)NCC1C[NH+](CCC2CCCC2)C1)C1CCC1 ZINC001404890241 1163848705 /nfs/dbraw/zinc/84/87/05/1163848705.db2.gz JPTCBTWZFISDHB-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1C[NH+](CCC2CCCC2)C1 ZINC001404934305 1163864541 /nfs/dbraw/zinc/86/45/41/1163864541.db2.gz UWWLZOCEUSPJCN-IYBDPMFKSA-N 1 3 321.509 2.488 20 0 DEADHO CCN(C(=O)CN1CC[C@H](C)C1)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001405173988 1163990046 /nfs/dbraw/zinc/99/00/46/1163990046.db2.gz BUPSQNFTZRBNAC-RDJZCZTQSA-N 1 3 307.482 2.051 20 0 DEADHO CCN(C(=O)CN1CC[C@H](C)C1)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001405173988 1163990052 /nfs/dbraw/zinc/99/00/52/1163990052.db2.gz BUPSQNFTZRBNAC-RDJZCZTQSA-N 1 3 307.482 2.051 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC(CC[N@H+](C)CC)CC1 ZINC001406004769 1164382812 /nfs/dbraw/zinc/38/28/12/1164382812.db2.gz ONAAYSUNUGVSEV-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC(CC[N@@H+](C)CC)CC1 ZINC001406004769 1164382818 /nfs/dbraw/zinc/38/28/18/1164382818.db2.gz ONAAYSUNUGVSEV-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO Cc1cccc(C[N@@H+](C)CCN(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001406103309 1164446275 /nfs/dbraw/zinc/44/62/75/1164446275.db2.gz IQCKHXMRFZMQPI-UHFFFAOYSA-N 1 3 317.477 2.370 20 0 DEADHO Cc1cccc(C[N@H+](C)CCN(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001406103309 1164446277 /nfs/dbraw/zinc/44/62/77/1164446277.db2.gz IQCKHXMRFZMQPI-UHFFFAOYSA-N 1 3 317.477 2.370 20 0 DEADHO CCC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]21 ZINC001406184569 1164496885 /nfs/dbraw/zinc/49/68/85/1164496885.db2.gz MQVYBCIZFNJTIP-JKSUJKDBSA-N 1 3 309.498 2.297 20 0 DEADHO CCC[N@H+]1CC[C@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]21 ZINC001406184569 1164496890 /nfs/dbraw/zinc/49/68/90/1164496890.db2.gz MQVYBCIZFNJTIP-JKSUJKDBSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001406223677 1164509011 /nfs/dbraw/zinc/50/90/11/1164509011.db2.gz XAFWXLFOUZHSQO-CVEARBPZSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001406359517 1164552584 /nfs/dbraw/zinc/55/25/84/1164552584.db2.gz MRIASEDSGDIXGL-OAHLLOKOSA-N 1 3 303.450 2.074 20 0 DEADHO C[C@H](CNCc1ccccc1F)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001406375773 1164558861 /nfs/dbraw/zinc/55/88/61/1164558861.db2.gz GFPUGZMGVVIUED-CQSZACIVSA-N 1 3 321.440 2.294 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCc1ccccc1F ZINC001406467822 1164624345 /nfs/dbraw/zinc/62/43/45/1164624345.db2.gz OMLPROUKFRDCBC-YOEHRIQHSA-N 1 3 321.440 2.293 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCc1ccccc1F ZINC001406467822 1164624348 /nfs/dbraw/zinc/62/43/48/1164624348.db2.gz OMLPROUKFRDCBC-YOEHRIQHSA-N 1 3 321.440 2.293 20 0 DEADHO C[C@H](C[N@H+](C)CC1CC2(CCC2)C1)NC(=O)C1(N(C)C)CCC1 ZINC001406612635 1164730525 /nfs/dbraw/zinc/73/05/25/1164730525.db2.gz LXXQYUXBVXQZOD-OAHLLOKOSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](C[N@@H+](C)CC1CC2(CCC2)C1)NC(=O)C1(N(C)C)CCC1 ZINC001406612635 1164730532 /nfs/dbraw/zinc/73/05/32/1164730532.db2.gz LXXQYUXBVXQZOD-OAHLLOKOSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1ccc(CN(C)C[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001406654108 1164766237 /nfs/dbraw/zinc/76/62/37/1164766237.db2.gz QEPIDSIUHAUHBX-INIZCTEOSA-N 1 3 317.477 2.273 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001406775255 1164824961 /nfs/dbraw/zinc/82/49/61/1164824961.db2.gz QUYGTAVBEPAXQD-LSDHHAIUSA-N 1 3 313.461 2.093 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C)cc1 ZINC001408083351 1165468541 /nfs/dbraw/zinc/46/85/41/1165468541.db2.gz MYANRIISINYMDV-WMZOPIPTSA-N 1 3 317.477 2.272 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]CC1CCC1 ZINC001408098648 1165476078 /nfs/dbraw/zinc/47/60/78/1165476078.db2.gz RKBUTXHWZYSBKW-GOEBONIOSA-N 1 3 309.498 2.201 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCc2cccs2)C1 ZINC001408113041 1165482569 /nfs/dbraw/zinc/48/25/69/1165482569.db2.gz YLOLDBCZJPUPCP-GOEBONIOSA-N 1 3 323.506 2.069 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2C[N@H+](C)CCC2CC2)C1 ZINC001408353152 1165608176 /nfs/dbraw/zinc/60/81/76/1165608176.db2.gz IIQTWFPIINLNBB-RDJZCZTQSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2C[N@@H+](C)CCC2CC2)C1 ZINC001408353152 1165608178 /nfs/dbraw/zinc/60/81/78/1165608178.db2.gz IIQTWFPIINLNBB-RDJZCZTQSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]C/C=C/c2ccccc2)C1)N(C)C ZINC001418046373 1167380874 /nfs/dbraw/zinc/38/08/74/1167380874.db2.gz SPMKAPXCIRPKGY-ITGUVEJCSA-N 1 3 315.461 2.231 20 0 DEADHO CC[N@H+](CCCF)CCNC(=O)C(C)(C)N1CCCCC1 ZINC001418548114 1167804624 /nfs/dbraw/zinc/80/46/24/1167804624.db2.gz MODKPOCKXSXXEK-UHFFFAOYSA-N 1 3 301.450 2.049 20 0 DEADHO CC[N@@H+](CCCF)CCNC(=O)C(C)(C)N1CCCCC1 ZINC001418548114 1167804625 /nfs/dbraw/zinc/80/46/25/1167804625.db2.gz MODKPOCKXSXXEK-UHFFFAOYSA-N 1 3 301.450 2.049 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1)N(C)C ZINC001418678939 1167880740 /nfs/dbraw/zinc/88/07/40/1167880740.db2.gz DCKQIVIDNJZQSV-WBVHZDCISA-N 1 3 321.440 2.104 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C1)N(C)C ZINC001418678939 1167880742 /nfs/dbraw/zinc/88/07/42/1167880742.db2.gz DCKQIVIDNJZQSV-WBVHZDCISA-N 1 3 321.440 2.104 20 0 DEADHO CC1CC(C[N@@H+]2CC[C@@H](CNC(=O)C(C)(C)N3CCCC3)C2)C1 ZINC001418679845 1167882195 /nfs/dbraw/zinc/88/21/95/1167882195.db2.gz IXOIZDUJFOQOLZ-CGZBRXJRSA-N 1 3 321.509 2.345 20 0 DEADHO CC1CC(C[N@H+]2CC[C@@H](CNC(=O)C(C)(C)N3CCCC3)C2)C1 ZINC001418679845 1167882199 /nfs/dbraw/zinc/88/21/99/1167882199.db2.gz IXOIZDUJFOQOLZ-CGZBRXJRSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@H](C(=O)N1CCC(C[N@@H+](C)CC[C@H](C)F)CC1)N(C)C ZINC001418940005 1168081267 /nfs/dbraw/zinc/08/12/67/1168081267.db2.gz VWFCDVNYBIPLKE-GOEBONIOSA-N 1 3 315.477 2.245 20 0 DEADHO CC[C@H](C(=O)N1CCC(C[N@H+](C)CC[C@H](C)F)CC1)N(C)C ZINC001418940005 1168081259 /nfs/dbraw/zinc/08/12/59/1168081259.db2.gz VWFCDVNYBIPLKE-GOEBONIOSA-N 1 3 315.477 2.245 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCc2ccccc2)C1)N(C)C ZINC001419405403 1168448844 /nfs/dbraw/zinc/44/88/44/1168448844.db2.gz ICKNREHSDPYKBS-BZSNNMDCSA-N 1 3 317.477 2.052 20 0 DEADHO CC[C@@H](F)C[NH+]1CCC(CCNC(=O)CN(C)C(C)C)CC1 ZINC001419413739 1168456125 /nfs/dbraw/zinc/45/61/25/1168456125.db2.gz HTJDYVUIHLDKBE-MRXNPFEDSA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@@H](CC)N(C)C)CCCC1 ZINC001419618396 1168691270 /nfs/dbraw/zinc/69/12/70/1168691270.db2.gz UDQMJCOUPIZFEH-ZIAGYGMSSA-N 1 3 301.450 2.093 20 0 DEADHO C[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CCCN(C/C=C\Cl)C1 ZINC001419629367 1168708607 /nfs/dbraw/zinc/70/86/07/1168708607.db2.gz CYPXVVOIMIYIBV-MYEIUBSTSA-N 1 3 315.889 2.297 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001419631998 1168711546 /nfs/dbraw/zinc/71/15/46/1168711546.db2.gz OONZIFBBLDCRJR-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001419631998 1168711561 /nfs/dbraw/zinc/71/15/61/1168711561.db2.gz OONZIFBBLDCRJR-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1cccc([C@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cc2c[nH]cn2)c1 ZINC001419726886 1168822701 /nfs/dbraw/zinc/82/27/01/1168822701.db2.gz RMLDVXHNNMCLRR-GJZGRUSLSA-N 1 3 314.433 2.458 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C(C)C ZINC001419759959 1168835483 /nfs/dbraw/zinc/83/54/83/1168835483.db2.gz HFTSZOYYVGBJLS-OAHLLOKOSA-N 1 3 323.456 2.411 20 0 DEADHO CC[C@@H](c1ccc(F)cc1)N(C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001420347883 1169384910 /nfs/dbraw/zinc/38/49/10/1169384910.db2.gz TUHGWASRUSBCEB-RDJZCZTQSA-N 1 3 321.440 2.277 20 0 DEADHO CC[C@@H](c1ccc(F)cc1)N(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001420347883 1169384920 /nfs/dbraw/zinc/38/49/20/1169384920.db2.gz TUHGWASRUSBCEB-RDJZCZTQSA-N 1 3 321.440 2.277 20 0 DEADHO CC[C@H](c1ccc(F)cc1)N(C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001420347880 1169385595 /nfs/dbraw/zinc/38/55/95/1169385595.db2.gz TUHGWASRUSBCEB-DOTOQJQBSA-N 1 3 321.440 2.277 20 0 DEADHO CC[C@H](c1ccc(F)cc1)N(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001420347880 1169385609 /nfs/dbraw/zinc/38/56/09/1169385609.db2.gz TUHGWASRUSBCEB-DOTOQJQBSA-N 1 3 321.440 2.277 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H](C)CNCc1cc(C)ccc1F ZINC001420361056 1169398550 /nfs/dbraw/zinc/39/85/50/1169398550.db2.gz WTTYXMQSPKNNLD-CQSZACIVSA-N 1 3 309.429 2.070 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CNCc1cc(C)ccc1F ZINC001420361056 1169398560 /nfs/dbraw/zinc/39/85/60/1169398560.db2.gz WTTYXMQSPKNNLD-CQSZACIVSA-N 1 3 309.429 2.070 20 0 DEADHO Cc1cccc(C)c1C[NH2+]C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001420440605 1169555655 /nfs/dbraw/zinc/55/56/55/1169555655.db2.gz VFDDJBCJMUDSNZ-INIZCTEOSA-N 1 3 317.477 2.382 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)NC(=O)CN2CC[C@@H](C)C2)cc1C ZINC001420467509 1169608261 /nfs/dbraw/zinc/60/82/61/1169608261.db2.gz HVZSFFINNAOORV-PBHICJAKSA-N 1 3 317.477 2.240 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CCC[N@@H+]1CCCF)N1CCCCC1 ZINC001420579800 1169810074 /nfs/dbraw/zinc/81/00/74/1169810074.db2.gz JCOYYRIMDCLYAE-OAHLLOKOSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CCC[N@H+]1CCCF)N1CCCCC1 ZINC001420579800 1169810079 /nfs/dbraw/zinc/81/00/79/1169810079.db2.gz JCOYYRIMDCLYAE-OAHLLOKOSA-N 1 3 313.461 2.191 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CC1CC2(CCC2)C1)N(C)C ZINC001420590118 1169816023 /nfs/dbraw/zinc/81/60/23/1169816023.db2.gz GVMNRWHBBMXANH-GOEBONIOSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CC1CC2(CCC2)C1)N(C)C ZINC001420590118 1169816024 /nfs/dbraw/zinc/81/60/24/1169816024.db2.gz GVMNRWHBBMXANH-GOEBONIOSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1ccc(F)cc1CN(C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001420656175 1169855512 /nfs/dbraw/zinc/85/55/12/1169855512.db2.gz DGKICMWCCPXMOX-LSDHHAIUSA-N 1 3 321.440 2.022 20 0 DEADHO Cc1ccc(F)cc1CN(C)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001420656175 1169855514 /nfs/dbraw/zinc/85/55/14/1169855514.db2.gz DGKICMWCCPXMOX-LSDHHAIUSA-N 1 3 321.440 2.022 20 0 DEADHO C[NH+](C)CCC(=O)NCCN(Cc1ccc(Cl)cc1)C1CC1 ZINC001420679086 1169865250 /nfs/dbraw/zinc/86/52/50/1169865250.db2.gz CIPILMJAHSLEAP-UHFFFAOYSA-N 1 3 323.868 2.372 20 0 DEADHO C[C@H](NC[C@@H](NC(=O)CC[NH+](C)C)C1CC1)c1ccccc1F ZINC001420769874 1171135168 /nfs/dbraw/zinc/13/51/68/1171135168.db2.gz OMAQUJDIMNYPAY-SUMWQHHRSA-N 1 3 321.440 2.323 20 0 DEADHO CC[C@H](F)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1c[nH]cn1 ZINC001421012031 1171426661 /nfs/dbraw/zinc/42/66/61/1171426661.db2.gz YKGVVKCDTKPERT-WYQXTGKHSA-N 1 3 322.428 2.202 20 0 DEADHO CC(C)CC[NH+]1CC(CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001421130282 1171517730 /nfs/dbraw/zinc/51/77/30/1171517730.db2.gz WUSSUFITJLSPGO-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C)cc1C)N(C)C ZINC001421756431 1171968272 /nfs/dbraw/zinc/96/82/72/1171968272.db2.gz DPGVGRINXYZDMX-YJBOKZPZSA-N 1 3 319.493 2.486 20 0 DEADHO CC(C)[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC1CCCC1 ZINC001422107156 1172308149 /nfs/dbraw/zinc/30/81/49/1172308149.db2.gz HGNIEYKDIAHYFR-NVXWUHKLSA-N 1 3 309.498 2.249 20 0 DEADHO Cc1ccccc1C[N@@H+](C)CCN(C)C(=O)[C@H]1CCCCN1C ZINC001422172816 1172370895 /nfs/dbraw/zinc/37/08/95/1172370895.db2.gz AVYACDMZYMYTPZ-GOSISDBHSA-N 1 3 317.477 2.370 20 0 DEADHO Cc1ccccc1C[N@H+](C)CCN(C)C(=O)[C@H]1CCCCN1C ZINC001422172816 1172370902 /nfs/dbraw/zinc/37/09/02/1172370902.db2.gz AVYACDMZYMYTPZ-GOSISDBHSA-N 1 3 317.477 2.370 20 0 DEADHO COc1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC001422739082 1172837000 /nfs/dbraw/zinc/83/70/00/1172837000.db2.gz WALIXTUPCOAPBL-MSOLQXFVSA-N 1 3 304.434 2.163 20 0 DEADHO Cc1ccc(CN(C)C[C@@H](C)NC(=O)CCC[NH+](C)C)cc1 ZINC001422876019 1172892731 /nfs/dbraw/zinc/89/27/31/1172892731.db2.gz JBNYQDDHSDQVHW-MRXNPFEDSA-N 1 3 305.466 2.273 20 0 DEADHO CN1C[C@@H]2CC[C@H]([NH2+]C3CCN(C(=O)CC(C)(C)C)CC3)[C@H]2C1 ZINC001422972430 1172987293 /nfs/dbraw/zinc/98/72/93/1172987293.db2.gz MHLCDCSFUWAOPC-XIRDDKMYSA-N 1 3 321.509 2.343 20 0 DEADHO COc1cc(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(OC)c1 ZINC001422974121 1172989408 /nfs/dbraw/zinc/98/94/08/1172989408.db2.gz RYNKFSAOMKRHAN-HZPDHXFCSA-N 1 3 304.434 2.463 20 0 DEADHO COc1cc(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(OC)c1 ZINC001422974121 1172989420 /nfs/dbraw/zinc/98/94/20/1172989420.db2.gz RYNKFSAOMKRHAN-HZPDHXFCSA-N 1 3 304.434 2.463 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001423007124 1173011397 /nfs/dbraw/zinc/01/13/97/1173011397.db2.gz GTCWAIGCSVNRHE-GDBMZVCRSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1ccccc1CCCN1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001423109171 1173082025 /nfs/dbraw/zinc/08/20/25/1173082025.db2.gz IGVPNWXWCSDEEP-SFHVURJKSA-N 1 3 317.477 2.070 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+]CC[C@@H]2CCCOC2)CC1 ZINC001423328453 1173246740 /nfs/dbraw/zinc/24/67/40/1173246740.db2.gz JRZIKZGVMKENTF-AOCRQIFASA-N 1 3 310.482 2.426 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC2CC(C)(C)C2)[C@@H]1C ZINC001423329777 1173248021 /nfs/dbraw/zinc/24/80/21/1173248021.db2.gz PCBIEFWDUFWPMP-GOEBONIOSA-N 1 3 309.498 2.342 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001423329770 1173248245 /nfs/dbraw/zinc/24/82/45/1173248245.db2.gz PBARNGLZEZJECI-FUHWJXTLSA-N 1 3 317.477 2.414 20 0 DEADHO CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001423686139 1173490456 /nfs/dbraw/zinc/49/04/56/1173490456.db2.gz JHGNKVSDKSKKJC-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CCCC[N@H+]1CCC[C@@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001423686139 1173490461 /nfs/dbraw/zinc/49/04/61/1173490461.db2.gz JHGNKVSDKSKKJC-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CCC(CC)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001423941022 1173584616 /nfs/dbraw/zinc/58/46/16/1173584616.db2.gz BLHBXSXDQSGZJO-WBVHZDCISA-N 1 3 309.498 2.345 20 0 DEADHO CCC[N@H+](C)Cc1ccccc1CNC(=O)CN(C)C(C)C ZINC001424081395 1173646828 /nfs/dbraw/zinc/64/68/28/1173646828.db2.gz PETOXOCOAZWXKU-UHFFFAOYSA-N 1 3 305.466 2.485 20 0 DEADHO CCC[N@@H+](C)Cc1ccccc1CNC(=O)CN(C)C(C)C ZINC001424081395 1173646831 /nfs/dbraw/zinc/64/68/31/1173646831.db2.gz PETOXOCOAZWXKU-UHFFFAOYSA-N 1 3 305.466 2.485 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)CCc1cccs1)N(C)C ZINC001425054697 1174148433 /nfs/dbraw/zinc/14/84/33/1174148433.db2.gz JTBSUSLBYAHPJR-ZFWWWQNUSA-N 1 3 311.495 2.067 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CCc1cccs1)N(C)C ZINC001425054697 1174148444 /nfs/dbraw/zinc/14/84/44/1174148444.db2.gz JTBSUSLBYAHPJR-ZFWWWQNUSA-N 1 3 311.495 2.067 20 0 DEADHO CCCC[C@H](C[NH2+]CC)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001425187230 1174217083 /nfs/dbraw/zinc/21/70/83/1174217083.db2.gz MMFJAUUIURIHFJ-PBHICJAKSA-N 1 3 315.477 2.483 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@@H]1CCCCCN1CCC(F)(F)F ZINC001425198793 1174228486 /nfs/dbraw/zinc/22/84/86/1174228486.db2.gz VEDRQTSFCADIMY-ZDUSSCGKSA-N 1 3 323.403 2.251 20 0 DEADHO C[C@@H]1[C@H]([NH2+]C/C=C\Cl)CCN1C(=O)CN(C)CC(C)(C)C ZINC001425888874 1174499858 /nfs/dbraw/zinc/49/98/58/1174499858.db2.gz PZGWJFZLHIFYCG-JFDUVMPXSA-N 1 3 315.889 2.296 20 0 DEADHO COc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)c(C)c1OC ZINC001434519079 1178743291 /nfs/dbraw/zinc/74/32/91/1178743291.db2.gz XHOHIFYKDQKFOK-ARFHVFGLSA-N 1 3 304.434 2.442 20 0 DEADHO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C[C@@H]1CN2CCC1CC2 ZINC001434540053 1178802537 /nfs/dbraw/zinc/80/25/37/1178802537.db2.gz ZBEPPWGYKMALAN-CQSZACIVSA-N 1 3 311.470 2.221 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCC3CC3)C2)CCC1 ZINC001436419290 1179088510 /nfs/dbraw/zinc/08/85/10/1179088510.db2.gz ZQBHUZNPXJPFMY-JKSUJKDBSA-N 1 3 307.482 2.145 20 0 DEADHO CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001436745079 1179212935 /nfs/dbraw/zinc/21/29/35/1179212935.db2.gz MFZVQFGIASVIKJ-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001436745079 1179212948 /nfs/dbraw/zinc/21/29/48/1179212948.db2.gz MFZVQFGIASVIKJ-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@H](C[N@H+](C)CCC3CC3)C2)CCC1 ZINC001436844773 1179277550 /nfs/dbraw/zinc/27/75/50/1179277550.db2.gz RWQBGSCTEJBUCH-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@H](C[N@@H+](C)CCC3CC3)C2)CCC1 ZINC001436844773 1179277555 /nfs/dbraw/zinc/27/75/55/1179277555.db2.gz RWQBGSCTEJBUCH-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@@H]([NH2+]C/C=C\Cl)C2)c1 ZINC001436974718 1179324283 /nfs/dbraw/zinc/32/42/83/1179324283.db2.gz AQJOFHRIEHGUFO-BLTNEMFESA-N 1 3 321.852 2.351 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](NC/C=C\Cl)C2)CC1 ZINC001437288672 1179695490 /nfs/dbraw/zinc/69/54/90/1179695490.db2.gz LLVXSKASHHDXMB-FTWHOSCRSA-N 1 3 313.873 2.050 20 0 DEADHO CN(CC(=O)N[C@@H]1CCC[C@H]([NH2+]C/C=C/Cl)C1)C1CCC1 ZINC001437342526 1179744257 /nfs/dbraw/zinc/74/42/57/1179744257.db2.gz YPOBZSTVOKJOLM-JNGJTHOISA-N 1 3 313.873 2.240 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)CN(C)C2CCC2)cc1 ZINC001437385223 1179775661 /nfs/dbraw/zinc/77/56/61/1179775661.db2.gz WFLGHZUVHACPRF-INIZCTEOSA-N 1 3 317.477 2.464 20 0 DEADHO Cc1ccc(F)c(CN2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)c1 ZINC001437725651 1179907851 /nfs/dbraw/zinc/90/78/51/1179907851.db2.gz VXGNINYBQIGJEZ-HNNXBMFYSA-N 1 3 321.440 2.024 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001437735112 1179922377 /nfs/dbraw/zinc/92/23/77/1179922377.db2.gz CTJXUJAMPRGXKK-GOSISDBHSA-N 1 3 317.477 2.275 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001437735112 1179922395 /nfs/dbraw/zinc/92/23/95/1179922395.db2.gz CTJXUJAMPRGXKK-GOSISDBHSA-N 1 3 317.477 2.275 20 0 DEADHO CN(CC[NH2+][C@@H]1CCCc2ccccc21)C(=O)[C@H]1CCCN1C ZINC001437828101 1180018553 /nfs/dbraw/zinc/01/85/53/1180018553.db2.gz LKNABGMNGHHYQK-QZTJIDSGSA-N 1 3 315.461 2.206 20 0 DEADHO C[NH+](C)CC1(C(=O)N2C[C@@H]3C[C@H]2CN3CCCC(C)(C)C)CC1 ZINC001438175590 1180225959 /nfs/dbraw/zinc/22/59/59/1180225959.db2.gz TYWZNQWILSVDAA-HOTGVXAUSA-N 1 3 321.509 2.440 20 0 DEADHO FC(F)(F)Cc1ncc(CN[C@@H]2CC23CC[NH2+]CC3)s1 ZINC001580018404 1180393890 /nfs/dbraw/zinc/39/38/90/1180393890.db2.gz GVZVGIBHDAIAFT-SNVBAGLBSA-N 1 3 305.369 2.480 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+]Cc1ccccc1F ZINC001438547616 1180582671 /nfs/dbraw/zinc/58/26/71/1180582671.db2.gz GKFSBLLNHYZBQD-CQSZACIVSA-N 1 3 309.429 2.008 20 0 DEADHO CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001438733249 1180801055 /nfs/dbraw/zinc/80/10/55/1180801055.db2.gz JOWMKEDVJZHXHP-YOEHRIQHSA-N 1 3 315.477 2.339 20 0 DEADHO CN(CC[N@H+](C)[C@@H]1CCc2ccccc21)C(=O)[C@@H]1CCCN1C ZINC001438861971 1180834311 /nfs/dbraw/zinc/83/43/11/1180834311.db2.gz OIHHBGDRLJSSML-MSOLQXFVSA-N 1 3 315.461 2.158 20 0 DEADHO CN(CC[N@@H+](C)[C@@H]1CCc2ccccc21)C(=O)[C@@H]1CCCN1C ZINC001438861971 1180834313 /nfs/dbraw/zinc/83/43/13/1180834313.db2.gz OIHHBGDRLJSSML-MSOLQXFVSA-N 1 3 315.461 2.158 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccc(C)cc1)C1CC1)N(C)C ZINC001439479355 1181106413 /nfs/dbraw/zinc/10/64/13/1181106413.db2.gz LIUPRBXXQXVXAU-MSOLQXFVSA-N 1 3 317.477 2.320 20 0 DEADHO CCc1ccccc1C[NH2+]C1(CNC(=O)CN(C)C(C)C)CC1 ZINC001439674514 1181195390 /nfs/dbraw/zinc/19/53/90/1181195390.db2.gz GGGHNIJXCREKCH-UHFFFAOYSA-N 1 3 317.477 2.328 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CC[NH+](CCC(C)C)CC2 ZINC001440236942 1181395867 /nfs/dbraw/zinc/39/58/67/1181395867.db2.gz HHNSHCOOUJFQLN-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]([C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC001440750129 1181673712 /nfs/dbraw/zinc/67/37/12/1181673712.db2.gz PKUJSHBEKFSKSY-IRXDYDNUSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]([C@H]2CC[N@H+](C(C)C)C2)C1 ZINC001440750129 1181673722 /nfs/dbraw/zinc/67/37/22/1181673722.db2.gz PKUJSHBEKFSKSY-IRXDYDNUSA-N 1 3 309.498 2.296 20 0 DEADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)Cc1ccc(CF)cc1 ZINC001441006578 1181823587 /nfs/dbraw/zinc/82/35/87/1181823587.db2.gz CNTBDXZOKPDRFL-WMLDXEAASA-N 1 3 321.440 2.044 20 0 DEADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)Cc1ccc(CF)cc1 ZINC001441006578 1181823590 /nfs/dbraw/zinc/82/35/90/1181823590.db2.gz CNTBDXZOKPDRFL-WMLDXEAASA-N 1 3 321.440 2.044 20 0 DEADHO Cc1ccc(CN(C)[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1F ZINC001441010194 1181825486 /nfs/dbraw/zinc/82/54/86/1181825486.db2.gz JXAPMWXUBLIGOX-GDBMZVCRSA-N 1 3 321.440 2.022 20 0 DEADHO Cc1ccc(CN(C)[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1F ZINC001441010194 1181825491 /nfs/dbraw/zinc/82/54/91/1181825491.db2.gz JXAPMWXUBLIGOX-GDBMZVCRSA-N 1 3 321.440 2.022 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCC2CC2)C1)N1CCCC1 ZINC001441050631 1181835204 /nfs/dbraw/zinc/83/52/04/1181835204.db2.gz ZFLJASBHDAEZCU-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)C1)N1CCCC1 ZINC001441050631 1181835208 /nfs/dbraw/zinc/83/52/08/1181835208.db2.gz ZFLJASBHDAEZCU-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccccc2C)C1 ZINC001441121775 1181857164 /nfs/dbraw/zinc/85/71/64/1181857164.db2.gz RZJHVCKABPOSHJ-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccccc2C)C1 ZINC001441121775 1181857165 /nfs/dbraw/zinc/85/71/65/1181857165.db2.gz RZJHVCKABPOSHJ-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@@H]([NH2+]CCC2CCCC2)C2CC2)C1 ZINC001441221907 1181900635 /nfs/dbraw/zinc/90/06/35/1181900635.db2.gz HCKUURIDOUSROT-CRAIPNDOSA-N 1 3 321.509 2.393 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]([NH2+]CC2CCCC2)C2CC2)C1 ZINC001441225966 1181903145 /nfs/dbraw/zinc/90/31/45/1181903145.db2.gz MVWLUTMUDWKLLL-PBHICJAKSA-N 1 3 307.482 2.003 20 0 DEADHO CC(C)(C(=O)NC[C@@H]([NH2+]CC1CCC1)C1CC1)N1CCCC1 ZINC001441228052 1181904333 /nfs/dbraw/zinc/90/43/33/1181904333.db2.gz ORQCXGPFEIWQHC-MRXNPFEDSA-N 1 3 307.482 2.145 20 0 DEADHO Cc1ccc(CN2C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C2)cc1 ZINC001441244486 1181911187 /nfs/dbraw/zinc/91/11/87/1181911187.db2.gz ASHHHLMHMRKDGW-QGZVFWFLSA-N 1 3 317.477 2.273 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2F)C1)N(C)C ZINC001441356123 1181953835 /nfs/dbraw/zinc/95/38/35/1181953835.db2.gz XJCHTHKRPGQIGY-FRFSOERESA-N 1 3 321.440 2.150 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC001441381091 1181965952 /nfs/dbraw/zinc/96/59/52/1181965952.db2.gz UBKPAYBLEPYRPJ-IYARVYRRSA-N 1 3 317.477 2.321 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@H+](CCC3CC3)CC[C@@H]21 ZINC001441468968 1182009537 /nfs/dbraw/zinc/00/95/37/1182009537.db2.gz FMQQOTMFQGTOLR-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@@H+](CCC3CC3)CC[C@@H]21 ZINC001441468968 1182009542 /nfs/dbraw/zinc/00/95/42/1182009542.db2.gz FMQQOTMFQGTOLR-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+][C@@H]1CCc2ccccc21 ZINC001441594562 1182079920 /nfs/dbraw/zinc/07/99/20/1182079920.db2.gz CAHGVYJPHHDSFS-CXAGYDPISA-N 1 3 312.417 2.076 20 0 DEADHO C[C@H](F)CC[NH2+]C1CCC(NC(=O)C2(N(C)C)CCC2)CC1 ZINC001441728774 1182137650 /nfs/dbraw/zinc/13/76/50/1182137650.db2.gz HZDWILUEEMIFJP-NFOMZHRRSA-N 1 3 313.461 2.236 20 0 DEADHO CC(C)CC[N@H+](C)[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001442216847 1182372498 /nfs/dbraw/zinc/37/24/98/1182372498.db2.gz PWBVIYUKRGEPAW-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001442216847 1182372504 /nfs/dbraw/zinc/37/25/04/1182372504.db2.gz PWBVIYUKRGEPAW-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](F)C[NH+]1CCC([C@H](C)NC(=O)CN(C)C(C)C)CC1 ZINC001442227051 1182379839 /nfs/dbraw/zinc/37/98/39/1182379839.db2.gz OWTRLHOGUUXNIG-HOCLYGCPSA-N 1 3 315.477 2.291 20 0 DEADHO C[C@@H](c1ccc(F)cc1)N(C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001442500194 1182502703 /nfs/dbraw/zinc/50/27/03/1182502703.db2.gz GUIVKDZRILNXON-AWEZNQCLSA-N 1 3 321.440 2.277 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1CC[N@H+](CCC2CC2)C1)N1CCCCCC1 ZINC001442874255 1182759771 /nfs/dbraw/zinc/75/97/71/1182759771.db2.gz ARGCPRWDZYRUPT-FUHWJXTLSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCC2CC2)C1)N1CCCCCC1 ZINC001442874255 1182759778 /nfs/dbraw/zinc/75/97/78/1182759778.db2.gz ARGCPRWDZYRUPT-FUHWJXTLSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC001442901983 1182782348 /nfs/dbraw/zinc/78/23/48/1182782348.db2.gz FWMQXSWPKIIRCL-INIZCTEOSA-N 1 3 321.440 2.104 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC001442901983 1182782356 /nfs/dbraw/zinc/78/23/56/1182782356.db2.gz FWMQXSWPKIIRCL-INIZCTEOSA-N 1 3 321.440 2.104 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001444831491 1183579833 /nfs/dbraw/zinc/57/98/33/1183579833.db2.gz WMGJAABGQTUGOR-DOTOQJQBSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[NH2+]CC1CCCCCC1 ZINC001445481700 1183884377 /nfs/dbraw/zinc/88/43/77/1183884377.db2.gz RSRWYUUBMOOENB-CYBMUJFWSA-N 1 3 306.454 2.325 20 0 DEADHO C[C@@H](C[NH2+]C[C@@H]1CCC(F)(F)C1)NC(=O)C1(N(C)C)CCC1 ZINC001445558032 1183905058 /nfs/dbraw/zinc/90/50/58/1183905058.db2.gz LUHHTHRSVKZCJP-QWHCGFSZSA-N 1 3 317.424 2.000 20 0 DEADHO CC[C@H](C)C[NH+]1CCC(C)(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001446470093 1184362521 /nfs/dbraw/zinc/36/25/21/1184362521.db2.gz OPSFKZXDKPOQEZ-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CCC(F)(F)F)C1 ZINC001446943667 1184585951 /nfs/dbraw/zinc/58/59/51/1184585951.db2.gz MOHMECPUAUTFTM-CHWSQXEVSA-N 1 3 323.403 2.106 20 0 DEADHO CN(CC(=O)N[C@@H]1CCC[N@H+](CC2CC2)CC1)CC(C)(C)C ZINC001447299089 1184709733 /nfs/dbraw/zinc/70/97/33/1184709733.db2.gz MXATWHRWDZYYOZ-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CN(CC(=O)N[C@@H]1CCC[N@@H+](CC2CC2)CC1)CC(C)(C)C ZINC001447299089 1184709735 /nfs/dbraw/zinc/70/97/35/1184709735.db2.gz MXATWHRWDZYYOZ-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC(C)([NH2+]CC[C@@H](C)F)CC1 ZINC001447570449 1184813552 /nfs/dbraw/zinc/81/35/52/1184813552.db2.gz QIDWRAQMCAGXFG-CQSZACIVSA-N 1 3 301.450 2.045 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C1C[NH+](CC2CC(C)(C)C2)C1)N(C)C ZINC001448313976 1185158388 /nfs/dbraw/zinc/15/83/88/1185158388.db2.gz IJMXIQURMXTGSR-CZUORRHYSA-N 1 3 309.498 2.199 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(C)cc2)C[C@H]1C ZINC001449008337 1185484080 /nfs/dbraw/zinc/48/40/80/1185484080.db2.gz IOOZEKGJUSXIBZ-SJLPKXTDSA-N 1 3 317.477 2.416 20 0 DEADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]CC2CCCCC2)C1 ZINC001449397296 1185699141 /nfs/dbraw/zinc/69/91/41/1185699141.db2.gz AAHFPTVDBKVNJM-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+](Cc1ccc(C(=O)NOCCN(C)C)cc1)C(C)C ZINC001347775161 1151096865 /nfs/dbraw/zinc/09/68/65/1151096865.db2.gz HSCPMBSFIUEJSG-UHFFFAOYSA-N 1 3 307.438 2.140 20 0 DEADHO CC[N@@H+](Cc1ccc(C(=O)NOCCN(C)C)cc1)C(C)C ZINC001347775161 1151096866 /nfs/dbraw/zinc/09/68/66/1151096866.db2.gz HSCPMBSFIUEJSG-UHFFFAOYSA-N 1 3 307.438 2.140 20 0 DEADHO c1cc(C2CC[NH2+]CC2)nc(N2CCN(C3CCCC3)CC2)n1 ZINC001165031605 721858171 /nfs/dbraw/zinc/85/81/71/721858171.db2.gz DKMFMYFFTPRVCX-UHFFFAOYSA-N 1 3 315.465 2.008 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CNCc1sccc1Cl ZINC001406420373 1164585551 /nfs/dbraw/zinc/58/55/51/1164585551.db2.gz GBGDDEKAWPQSMT-LLVKDONJSA-N 1 3 317.886 2.338 20 0 DEADHO C[C@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001370565698 1149810616 /nfs/dbraw/zinc/81/06/16/1149810616.db2.gz QAVQUDTZGHVOIA-JQFCIGGWSA-N 1 3 321.440 2.347 20 0 DEADHO C[C@@H](C[N@H+](C)CC1CC(C)(C)C1)NC(=O)CN(C)C1CCC1 ZINC001406629584 1164745582 /nfs/dbraw/zinc/74/55/82/1164745582.db2.gz FODVNXCXWUTEIU-AWEZNQCLSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](C[N@@H+](C)CC1CC(C)(C)C1)NC(=O)CN(C)C1CCC1 ZINC001406629584 1164745588 /nfs/dbraw/zinc/74/55/88/1164745588.db2.gz FODVNXCXWUTEIU-AWEZNQCLSA-N 1 3 309.498 2.343 20 0 DEADHO CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001106312573 782647967 /nfs/dbraw/zinc/64/79/67/782647967.db2.gz IYGQFKOITQJBMJ-LYHUAREISA-N 1 3 309.498 2.367 20 0 DEADHO CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001106665131 782840036 /nfs/dbraw/zinc/84/00/36/782840036.db2.gz IVIIUEWKAFKTGG-BRWVUGGUSA-N 1 3 307.482 2.121 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]CCC1CC1 ZINC001106798612 782943412 /nfs/dbraw/zinc/94/34/12/782943412.db2.gz MYAVUJPUSHDLHV-SJLPKXTDSA-N 1 3 321.509 2.203 20 0 DEADHO CC/C=C\CC[N@H+]1CC=C(CNC(=O)CN(C)C(C)C)CC1 ZINC001333457708 1150052474 /nfs/dbraw/zinc/05/24/74/1150052474.db2.gz LGZDKGTZSBIECE-SREVYHEPSA-N 1 3 307.482 2.431 20 0 DEADHO CC/C=C\CC[N@@H+]1CC=C(CNC(=O)CN(C)C(C)C)CC1 ZINC001333457708 1150052478 /nfs/dbraw/zinc/05/24/78/1150052478.db2.gz LGZDKGTZSBIECE-SREVYHEPSA-N 1 3 307.482 2.431 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C[C@H]1C ZINC000947615379 783190502 /nfs/dbraw/zinc/19/05/02/783190502.db2.gz IDRRYNQCQWGIBV-CVEARBPZSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C[C@H]1C ZINC000947615379 783190507 /nfs/dbraw/zinc/19/05/07/783190507.db2.gz IDRRYNQCQWGIBV-CVEARBPZSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H](F)CC[NH2+]CC1(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001167225661 776781591 /nfs/dbraw/zinc/78/15/91/776781591.db2.gz WKUWMSSJAHYYTR-GJZGRUSLSA-N 1 3 313.461 2.095 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCCC1(C[NH2+]CCC2CC2)CC1 ZINC001167225255 776782247 /nfs/dbraw/zinc/78/22/47/776782247.db2.gz RYMOEYGRAQIJFJ-OAHLLOKOSA-N 1 3 307.482 2.147 20 0 DEADHO CC(C)=CC[NH2+]CC1(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001167232549 776787052 /nfs/dbraw/zinc/78/70/52/776787052.db2.gz HALHEXVLNHHNLB-MRXNPFEDSA-N 1 3 307.482 2.171 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+]CC1CC(C)C1 ZINC001167636394 777412919 /nfs/dbraw/zinc/41/29/19/777412919.db2.gz UMEBQZULSUCRCC-JCYILVPMSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]CCC(C)(C)C ZINC001104729348 778050350 /nfs/dbraw/zinc/05/03/50/778050350.db2.gz UFQGGOUAKBAQCO-HUUCEWRRSA-N 1 3 320.481 2.463 20 0 DEADHO C[C@H]1CC[NH2+][C@H](C(=O)N(C2CCCC2)C2CCN(C)CC2)C1 ZINC001161453345 778120691 /nfs/dbraw/zinc/12/06/91/778120691.db2.gz DOBSHDWVHYIBDQ-YOEHRIQHSA-N 1 3 307.482 2.240 20 0 DEADHO CC[NH+](CC)CCC[C@H](C)N1CCN(c2cccnn2)CC1 ZINC001167827565 778673185 /nfs/dbraw/zinc/67/31/85/778673185.db2.gz XOQWDLJXWCEEFE-INIZCTEOSA-N 1 3 305.470 2.109 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC1(C[NH2+]CC2CC(C)C2)CC1 ZINC001167900205 778761290 /nfs/dbraw/zinc/76/12/90/778761290.db2.gz AXYIDADRJFEVGT-UHFFFAOYSA-N 1 3 318.465 2.183 20 0 DEADHO N=C(Nc1ccc(=O)n(-c2ccccc2F)c1)SCC[NH3+] ZINC001167915443 778820904 /nfs/dbraw/zinc/82/09/04/778820904.db2.gz HJRCBDUIBMXXBB-UHFFFAOYSA-N 1 3 306.366 2.015 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC2(C1)CC[N@H+](CC1CCC1)C2 ZINC001073454925 790666503 /nfs/dbraw/zinc/66/65/03/790666503.db2.gz UPGHIZLBLALFIG-HZPDHXFCSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC2(C1)CC[N@@H+](CC1CCC1)C2 ZINC001073454925 790666509 /nfs/dbraw/zinc/66/65/09/790666509.db2.gz UPGHIZLBLALFIG-HZPDHXFCSA-N 1 3 319.493 2.194 20 0 DEADHO COC(=O)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167973911 779133662 /nfs/dbraw/zinc/13/36/62/779133662.db2.gz QXIJQCVTOZYODW-ALOPSCKCSA-N 1 3 321.465 2.212 20 0 DEADHO CNC(=O)CCN(C)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168055404 779722509 /nfs/dbraw/zinc/72/25/09/779722509.db2.gz VUZMCONCYFNSOO-HZPDHXFCSA-N 1 3 317.477 2.496 20 0 DEADHO CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]2C1 ZINC001088210312 779774645 /nfs/dbraw/zinc/77/46/45/779774645.db2.gz GQUXEVCVJYXNCL-MSOLQXFVSA-N 1 3 315.461 2.162 20 0 DEADHO CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]2C1 ZINC001088210312 779774651 /nfs/dbraw/zinc/77/46/51/779774651.db2.gz GQUXEVCVJYXNCL-MSOLQXFVSA-N 1 3 315.461 2.162 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CC2CCC2)C1)C1CC1 ZINC001088326656 779957679 /nfs/dbraw/zinc/95/76/79/779957679.db2.gz UTURNJSOFZETOC-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CC2CCN(Cc3ccccn3)CC2)CCO1 ZINC001168091952 779999487 /nfs/dbraw/zinc/99/94/87/779999487.db2.gz CURLZNVJLFYWBC-DOTOQJQBSA-N 1 3 303.450 2.451 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1CC([NH2+]CCCC2CCC2)C1 ZINC001100921724 780358175 /nfs/dbraw/zinc/35/81/75/780358175.db2.gz YVUINNKIMKUOGY-UHFFFAOYSA-N 1 3 318.465 2.325 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H](NC(=O)C23CCCN2CCC3)[C@H]1C ZINC001088702535 780863143 /nfs/dbraw/zinc/86/31/43/780863143.db2.gz VMBLMADEMGDEPL-CVEARBPZSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H](NC(=O)C23CCCN2CCC3)[C@H]1C ZINC001088702535 780863152 /nfs/dbraw/zinc/86/31/52/780863152.db2.gz VMBLMADEMGDEPL-CVEARBPZSA-N 1 3 307.482 2.240 20 0 DEADHO CC1CC(C[N@@H+]2CC[C@H](NC(=O)C34CCCN3CCC4)[C@H]2C)C1 ZINC001088702922 780864421 /nfs/dbraw/zinc/86/44/21/780864421.db2.gz QWXALVAEFZZQGA-MYBQVCMBSA-N 1 3 319.493 2.240 20 0 DEADHO CC1CC(C[N@H+]2CC[C@H](NC(=O)C34CCCN3CCC4)[C@H]2C)C1 ZINC001088702922 780864429 /nfs/dbraw/zinc/86/44/29/780864429.db2.gz QWXALVAEFZZQGA-MYBQVCMBSA-N 1 3 319.493 2.240 20 0 DEADHO N[C@@H]([C@@H]1CCC[N@@H+](C2CCN(CC3CC3)CC2)C1)C(F)(F)F ZINC001168368336 781526794 /nfs/dbraw/zinc/52/67/94/781526794.db2.gz IOTJVSPBNUJGMA-HIFRSBDPSA-N 1 3 319.415 2.462 20 0 DEADHO N[C@@H]([C@@H]1CCC[N@H+](C2CCN(CC3CC3)CC2)C1)C(F)(F)F ZINC001168368336 781526799 /nfs/dbraw/zinc/52/67/99/781526799.db2.gz IOTJVSPBNUJGMA-HIFRSBDPSA-N 1 3 319.415 2.462 20 0 DEADHO CC(C)=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000948244225 783390683 /nfs/dbraw/zinc/39/06/83/783390683.db2.gz FYMQQMHQXLUHIJ-IRXDYDNUSA-N 1 3 307.482 2.360 20 0 DEADHO CC(C)=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000948244225 783390685 /nfs/dbraw/zinc/39/06/85/783390685.db2.gz FYMQQMHQXLUHIJ-IRXDYDNUSA-N 1 3 307.482 2.360 20 0 DEADHO CCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001085688353 783968234 /nfs/dbraw/zinc/96/82/34/783968234.db2.gz HZCUVHLHIWISQY-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001085688353 783968240 /nfs/dbraw/zinc/96/82/40/783968240.db2.gz HZCUVHLHIWISQY-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCCC[C@@H]2C[N@H+](C)CC2CC2)C1 ZINC001074064819 791034846 /nfs/dbraw/zinc/03/48/46/791034846.db2.gz PMLAREOJLWWKKY-DOTOQJQBSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCCC[C@@H]2C[N@@H+](C)CC2CC2)C1 ZINC001074064819 791034856 /nfs/dbraw/zinc/03/48/56/791034856.db2.gz PMLAREOJLWWKKY-DOTOQJQBSA-N 1 3 307.482 2.051 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(F)c3)C2)CCC1 ZINC000968904368 784644492 /nfs/dbraw/zinc/64/44/92/784644492.db2.gz QWKYBRWVNWVSOV-MRXNPFEDSA-N 1 3 319.424 2.001 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1)C1CC1 ZINC000968912428 784646953 /nfs/dbraw/zinc/64/69/53/784646953.db2.gz GSZVRYDODVTONK-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccccc1N1CCOCC1)C2 ZINC001169089668 785039968 /nfs/dbraw/zinc/03/99/68/785039968.db2.gz FNDUQNORHVEUDK-NNZMDNLPSA-N 1 3 315.461 2.238 20 0 DEADHO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169156725 785071895 /nfs/dbraw/zinc/07/18/95/785071895.db2.gz ZQMFYHRVMUZXOV-WBAHDQRJSA-N 1 3 306.450 2.275 20 0 DEADHO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169156725 785071902 /nfs/dbraw/zinc/07/19/02/785071902.db2.gz ZQMFYHRVMUZXOV-WBAHDQRJSA-N 1 3 306.450 2.275 20 0 DEADHO COC(=O)[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3C)Cc2ccccc21 ZINC001169155769 785073121 /nfs/dbraw/zinc/07/31/21/785073121.db2.gz UNRITMXWXVOJHC-KYHPRHEASA-N 1 3 314.429 2.384 20 0 DEADHO COC(=O)[C@@H]1C[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3C)Cc2ccccc21 ZINC001169155769 785073126 /nfs/dbraw/zinc/07/31/26/785073126.db2.gz UNRITMXWXVOJHC-KYHPRHEASA-N 1 3 314.429 2.384 20 0 DEADHO O=C(N[C@@H]1CCC[N@H+](CC2CCC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001008041988 785086333 /nfs/dbraw/zinc/08/63/33/785086333.db2.gz AHGJUIANYKMLDF-MSOLQXFVSA-N 1 3 319.493 2.242 20 0 DEADHO O=C(N[C@@H]1CCC[N@@H+](CC2CCC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001008041988 785086340 /nfs/dbraw/zinc/08/63/40/785086340.db2.gz AHGJUIANYKMLDF-MSOLQXFVSA-N 1 3 319.493 2.242 20 0 DEADHO CC[C@H](F)C[NH2+]CCCC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001171236136 791080991 /nfs/dbraw/zinc/08/09/91/791080991.db2.gz LLZROKKPMRRGAT-CABCVRRESA-N 1 3 315.477 2.483 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001008051990 785089600 /nfs/dbraw/zinc/08/96/00/785089600.db2.gz JDWQGCXMWBODGP-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001008051990 785089613 /nfs/dbraw/zinc/08/96/13/785089613.db2.gz JDWQGCXMWBODGP-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CCC[N@H+](CC2CCC2)C1)N1CCCC1 ZINC001008163619 785125146 /nfs/dbraw/zinc/12/51/46/785125146.db2.gz QGTJZUGJVGRYMR-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)C1)N1CCCC1 ZINC001008163619 785125151 /nfs/dbraw/zinc/12/51/51/785125151.db2.gz QGTJZUGJVGRYMR-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CCOC(=O)[C@H]1CC[C@@H]([N@H+](CCCN)C2CCCCC2)CO1 ZINC001169320072 785131969 /nfs/dbraw/zinc/13/19/69/785131969.db2.gz HLGUPWZLDHUVPW-HZPDHXFCSA-N 1 3 312.454 2.081 20 0 DEADHO CCOC(=O)[C@H]1CC[C@@H]([N@@H+](CCCN)C2CCCCC2)CO1 ZINC001169320072 785131976 /nfs/dbraw/zinc/13/19/76/785131976.db2.gz HLGUPWZLDHUVPW-HZPDHXFCSA-N 1 3 312.454 2.081 20 0 DEADHO C[C@H](CCCC[NH2+]Cc1nccs1)NC(=O)[C@@H]1CCCN1C ZINC001169808096 785375938 /nfs/dbraw/zinc/37/59/38/785375938.db2.gz BFEFZDXBIZUBMW-KGLIPLIRSA-N 1 3 324.494 2.002 20 0 DEADHO Cc1ccc(CCC[NH2+]CCNC(=O)C2(N(C)C)CCC2)cc1 ZINC001129356005 785486539 /nfs/dbraw/zinc/48/65/39/785486539.db2.gz AOIBYBISSCZSQG-UHFFFAOYSA-N 1 3 317.477 2.118 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001009627815 785495405 /nfs/dbraw/zinc/49/54/05/785495405.db2.gz NMYNADDNHFSHOW-MRXNPFEDSA-N 1 3 303.450 2.352 20 0 DEADHO CCC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001009627815 785495409 /nfs/dbraw/zinc/49/54/09/785495409.db2.gz NMYNADDNHFSHOW-MRXNPFEDSA-N 1 3 303.450 2.352 20 0 DEADHO CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C1CCC1)C2 ZINC001108704487 785495460 /nfs/dbraw/zinc/49/54/60/785495460.db2.gz NLSNXMBVOUIJIK-UXLLHSPISA-N 1 3 307.482 2.240 20 0 DEADHO CN(C)C1(C(=O)NCC[NH2+]CC2CCC(F)(F)CC2)CCC1 ZINC001129357488 785500338 /nfs/dbraw/zinc/50/03/38/785500338.db2.gz MGXCBUQZBJUNLA-UHFFFAOYSA-N 1 3 317.424 2.002 20 0 DEADHO CN(C)C1(C(=O)NCC[NH2+][C@H]2CCCc3ccccc32)CCC1 ZINC001129362653 785527652 /nfs/dbraw/zinc/52/76/52/785527652.db2.gz BKDLZZGIYNXASC-KRWDZBQOSA-N 1 3 315.461 2.254 20 0 DEADHO CC/C=C\CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001108768765 785528077 /nfs/dbraw/zinc/52/80/77/785528077.db2.gz GCEDAYVUBMYPOX-MZXFZZCGSA-N 1 3 316.449 2.278 20 0 DEADHO CN(C)C1(C(=O)NCC[NH2+][C@@H]2CCc3c2cccc3F)CCC1 ZINC001129362754 785529604 /nfs/dbraw/zinc/52/96/04/785529604.db2.gz COMUDULVRXZWKI-MRXNPFEDSA-N 1 3 319.424 2.003 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)C1 ZINC001015051716 786877879 /nfs/dbraw/zinc/87/78/79/786877879.db2.gz DPKNIZUQMUPRLD-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)C1 ZINC001015051716 786877895 /nfs/dbraw/zinc/87/78/95/786877895.db2.gz DPKNIZUQMUPRLD-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1cccc([C@H](C)[NH2+]CCNC(=O)[C@@H](C2CC2)N(C)C)c1 ZINC001129442691 787214804 /nfs/dbraw/zinc/21/48/04/787214804.db2.gz CYTHDLNCOWRBIZ-WMLDXEAASA-N 1 3 303.450 2.102 20 0 DEADHO CC[C@H]([NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C)c1ccccc1 ZINC001129442711 787215453 /nfs/dbraw/zinc/21/54/53/787215453.db2.gz DINLZFTZSZTIJJ-DLBZAZTESA-N 1 3 303.450 2.184 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)N(Cc2ccccc2)C1 ZINC001132411427 788066139 /nfs/dbraw/zinc/06/61/39/788066139.db2.gz ZIJGLVJZOGYOBQ-WMZOPIPTSA-N 1 3 317.477 2.498 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)N(Cc2ccccc2)C1 ZINC001132411427 788066151 /nfs/dbraw/zinc/06/61/51/788066151.db2.gz ZIJGLVJZOGYOBQ-WMZOPIPTSA-N 1 3 317.477 2.498 20 0 DEADHO CCC[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1C ZINC001133121234 788288032 /nfs/dbraw/zinc/28/80/32/788288032.db2.gz FNRYPRHTGQHLAI-CVEARBPZSA-N 1 3 309.498 2.203 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001133415537 788406320 /nfs/dbraw/zinc/40/63/20/788406320.db2.gz CDMHYVMSSOOWHE-DOTOQJQBSA-N 1 3 305.466 2.348 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]Cc1cccc(Cl)c1 ZINC001133834330 788628220 /nfs/dbraw/zinc/62/82/20/788628220.db2.gz UXDWDQJMYLLBGR-CYBMUJFWSA-N 1 3 309.841 2.030 20 0 DEADHO C[C@@H]([NH2+]CCNC(=O)CN1CC[C@H](C)C1)c1ccc(Cl)cc1 ZINC001133851153 788633118 /nfs/dbraw/zinc/63/31/18/788633118.db2.gz XVMLPAUIDGGKKZ-UONOGXRCSA-N 1 3 323.868 2.449 20 0 DEADHO Cc1cc(C)cc(C[NH2+]CCNC(=O)CN(C)CC(C)(C)C)c1 ZINC001133899742 788669162 /nfs/dbraw/zinc/66/91/62/788669162.db2.gz VDTUUKRXWPOTOL-UHFFFAOYSA-N 1 3 319.493 2.487 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+][C@H]1CCc2c1cccc2Cl)N(C)C ZINC001133962694 788694120 /nfs/dbraw/zinc/69/41/20/788694120.db2.gz LWJREUDROQMSRT-HOTGVXAUSA-N 1 3 323.868 2.373 20 0 DEADHO C[C@H](C[C@@H](C)[NH2+]CCC(F)(F)F)NC(=O)CN(C)C1CCC1 ZINC001134611921 788998471 /nfs/dbraw/zinc/99/84/71/788998471.db2.gz DRSHWQBHAWVXNH-VXGBXAGGSA-N 1 3 323.403 2.296 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001135508482 789369206 /nfs/dbraw/zinc/36/92/06/789369206.db2.gz OHAARJCPCDJRSK-UHFFFAOYSA-N 1 3 315.820 2.027 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1oc(C)nc1C ZINC001135980345 789581392 /nfs/dbraw/zinc/58/13/92/789581392.db2.gz OCSVQIUNBPFNPI-CHWSQXEVSA-N 1 3 324.469 2.006 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccsc1 ZINC001135979254 789582164 /nfs/dbraw/zinc/58/21/64/789582164.db2.gz DDTYYMCVTJYOJT-KGLIPLIRSA-N 1 3 311.495 2.463 20 0 DEADHO CC(C)C[N@@H+]1C[C@H](NC(=O)C(C)(C)N2CCCC2)CC[C@H]1C ZINC001071735601 789897153 /nfs/dbraw/zinc/89/71/53/789897153.db2.gz OUVZKBQXFOAKFB-HZPDHXFCSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[N@H+]1C[C@H](NC(=O)C(C)(C)N2CCCC2)CC[C@H]1C ZINC001071735601 789897159 /nfs/dbraw/zinc/89/71/59/789897159.db2.gz OUVZKBQXFOAKFB-HZPDHXFCSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[C@H]1C ZINC001071735599 789897205 /nfs/dbraw/zinc/89/72/05/789897205.db2.gz OUVZKBQXFOAKFB-CVEARBPZSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[N@H+]1C[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[C@H]1C ZINC001071735599 789897213 /nfs/dbraw/zinc/89/72/13/789897213.db2.gz OUVZKBQXFOAKFB-CVEARBPZSA-N 1 3 309.498 2.486 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H]1C ZINC001074562918 791232324 /nfs/dbraw/zinc/23/23/24/791232324.db2.gz NRPJXHPQXFQIGM-SZMVWBNQSA-N 1 3 315.461 2.168 20 0 DEADHO Cc1noc(C)c1C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146595005 791319641 /nfs/dbraw/zinc/31/96/41/791319641.db2.gz WEPDENJUXFOJDT-OLZOCXBDSA-N 1 3 324.469 2.005 20 0 DEADHO CC(C)OCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146600057 791320233 /nfs/dbraw/zinc/32/02/33/791320233.db2.gz FDCJVUYUFYCHDO-HZPDHXFCSA-N 1 3 315.502 2.015 20 0 DEADHO CC[N@H+](C)CCC(=O)NCCNCc1ccc(F)c(Cl)c1 ZINC001146719922 791349279 /nfs/dbraw/zinc/34/92/79/791349279.db2.gz WOMGAPJNVAMGNY-UHFFFAOYSA-N 1 3 315.820 2.027 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCCNCc1ccc(F)c(Cl)c1 ZINC001146719922 791349284 /nfs/dbraw/zinc/34/92/84/791349284.db2.gz WOMGAPJNVAMGNY-UHFFFAOYSA-N 1 3 315.820 2.027 20 0 DEADHO CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)C[C@]2(C)C1 ZINC001091666631 791637565 /nfs/dbraw/zinc/63/75/65/791637565.db2.gz CRJCCBFZMKRCEH-NUJGCVRESA-N 1 3 307.482 2.050 20 0 DEADHO CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)C[C@]2(C)C1 ZINC001091666631 791637569 /nfs/dbraw/zinc/63/75/69/791637569.db2.gz CRJCCBFZMKRCEH-NUJGCVRESA-N 1 3 307.482 2.050 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC3CC3)C[C@@]2(C)C1 ZINC001091721290 791746969 /nfs/dbraw/zinc/74/69/69/791746969.db2.gz ZDPMAKIGXHBFHN-LMMKCTJWSA-N 1 3 319.493 2.051 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC3CC3)C[C@@]2(C)C1 ZINC001091721290 791746974 /nfs/dbraw/zinc/74/69/74/791746974.db2.gz ZDPMAKIGXHBFHN-LMMKCTJWSA-N 1 3 319.493 2.051 20 0 DEADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+](CCC1CCCC1)C2 ZINC001148469870 791751116 /nfs/dbraw/zinc/75/11/16/791751116.db2.gz YPUVVQGOZNPDBD-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+](CCC1CCCC1)C2 ZINC001148469870 791751121 /nfs/dbraw/zinc/75/11/21/791751121.db2.gz YPUVVQGOZNPDBD-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+]Cc1cccc(C(F)F)c1 ZINC001148642815 791780660 /nfs/dbraw/zinc/78/06/60/791780660.db2.gz ODTHBJVTIXCKAU-UHFFFAOYSA-N 1 3 313.392 2.172 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+]C/C=C/c1ccc(Cl)cc1 ZINC001148642896 791780673 /nfs/dbraw/zinc/78/06/73/791780673.db2.gz PPVASUQFAXWKOE-SNAWJCMRSA-N 1 3 323.868 2.401 20 0 DEADHO C[C@@H]1CN(CCF)C[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001093056746 792220698 /nfs/dbraw/zinc/22/06/98/792220698.db2.gz NTJYUBIKNMSMKH-RHSMWYFYSA-N 1 3 321.440 2.015 20 0 DEADHO CN(C)C1(C(=O)NCC2CC([NH2+]CC3=CCCCC3)C2)CCC1 ZINC001100405772 792632531 /nfs/dbraw/zinc/63/25/31/792632531.db2.gz MCBNHIUPMOWZGI-UHFFFAOYSA-N 1 3 319.493 2.456 20 0 DEADHO CC[C@@H](C(=O)NCC1CC([NH2+]Cc2ccccc2C)C1)N(C)C ZINC001100683522 792787691 /nfs/dbraw/zinc/78/76/91/792787691.db2.gz GBMVXMSNWRCSAD-VJFUWPCTSA-N 1 3 317.477 2.320 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001101375403 793136154 /nfs/dbraw/zinc/13/61/54/793136154.db2.gz RCUZJWOPWXRGOV-PHJPPKDOSA-N 1 3 316.449 2.089 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001101375403 793136161 /nfs/dbraw/zinc/13/61/61/793136161.db2.gz RCUZJWOPWXRGOV-PHJPPKDOSA-N 1 3 316.449 2.089 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1cc(C)ccc1C ZINC001171756912 793195691 /nfs/dbraw/zinc/19/56/91/793195691.db2.gz BAJVRKKOWLYGOB-UHFFFAOYSA-N 1 3 305.466 2.241 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCCN(c3ncccn3)CC1)C2 ZINC001172125942 793317901 /nfs/dbraw/zinc/31/79/01/793317901.db2.gz SCTVEGLEZZFLGX-BJWYYQGGSA-N 1 3 315.465 2.004 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCCN(c3ncccn3)CC1)C2 ZINC001172125942 793317911 /nfs/dbraw/zinc/31/79/11/793317911.db2.gz SCTVEGLEZZFLGX-BJWYYQGGSA-N 1 3 315.465 2.004 20 0 DEADHO CCC(CC)N1CCC([NH2+]C2C[C@@H]3COC[C@H](C2)N3C)CC1 ZINC001172133527 793323468 /nfs/dbraw/zinc/32/34/68/793323468.db2.gz NNKAZCYKGCMNBB-ZNXRZULTSA-N 1 3 309.498 2.091 20 0 DEADHO Cc1nccnc1O[C@@H]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172134388 793324272 /nfs/dbraw/zinc/32/42/72/793324272.db2.gz XAXUBYMTLRSHPC-YYIAUSFCSA-N 1 3 316.449 2.253 20 0 DEADHO Cc1nccnc1O[C@@H]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172134388 793324284 /nfs/dbraw/zinc/32/42/84/793324284.db2.gz XAXUBYMTLRSHPC-YYIAUSFCSA-N 1 3 316.449 2.253 20 0 DEADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H]1COc3ccccc3O1)C2 ZINC001172103712 793329313 /nfs/dbraw/zinc/32/93/13/793329313.db2.gz WVEJBTZSVLMRKJ-LVQVYYBASA-N 1 3 302.418 2.431 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@@H]1COc3ccccc3O1)C2 ZINC001172103712 793329320 /nfs/dbraw/zinc/32/93/20/793329320.db2.gz WVEJBTZSVLMRKJ-LVQVYYBASA-N 1 3 302.418 2.431 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@@H]1COc3ccccc3O1)C2 ZINC001172103712 793329328 /nfs/dbraw/zinc/32/93/28/793329328.db2.gz WVEJBTZSVLMRKJ-LVQVYYBASA-N 1 3 302.418 2.431 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H](CCO)c1ccc(N)cc1)C2 ZINC001172114224 793335414 /nfs/dbraw/zinc/33/54/14/793335414.db2.gz MICKAMZVYTXQKM-FJIDUMEYSA-N 1 3 303.450 2.297 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H](CCO)c1ccc(N)cc1)C2 ZINC001172114224 793335422 /nfs/dbraw/zinc/33/54/22/793335422.db2.gz MICKAMZVYTXQKM-FJIDUMEYSA-N 1 3 303.450 2.297 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCN1CCC(F)(F)CC1)C2 ZINC001172118632 793338006 /nfs/dbraw/zinc/33/80/06/793338006.db2.gz SPDPIJQUFRNZGB-QKDCVEJESA-N 1 3 301.425 2.322 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCN1CCC(F)(F)CC1)C2 ZINC001172118632 793338017 /nfs/dbraw/zinc/33/80/17/793338017.db2.gz SPDPIJQUFRNZGB-QKDCVEJESA-N 1 3 301.425 2.322 20 0 DEADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(c3ccccn3)CC1)C2 ZINC001172115355 793339014 /nfs/dbraw/zinc/33/90/14/793339014.db2.gz WNSXTVZZPGMHER-FVQHAEBGSA-N 1 3 300.450 2.219 20 0 DEADHO COCCC[NH+]1CCC(N2CC[C@@H](c3ccncc3)C2)CC1 ZINC001172255417 793391463 /nfs/dbraw/zinc/39/14/63/793391463.db2.gz QJICDPBKCYLKMU-QGZVFWFLSA-N 1 3 303.450 2.372 20 0 DEADHO CN(C)C1CC[NH+]([C@@H]2CCN(Cc3ccccc3)C(=O)C2)CC1 ZINC001172668845 793475342 /nfs/dbraw/zinc/47/53/42/793475342.db2.gz NUDNARAYVFFOTL-GOSISDBHSA-N 1 3 315.461 2.204 20 0 DEADHO CCCN1C[C@@H]2C[N@H+]([C@@H]3CCC[C@@H](C(=O)OC)CC3)C[C@@H]2C1 ZINC001172804979 793512316 /nfs/dbraw/zinc/51/23/16/793512316.db2.gz YBPOVLOUGVTAOI-WCXIOVBPSA-N 1 3 308.466 2.382 20 0 DEADHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3CCC[C@@H](C(=O)OC)CC3)C[C@@H]2C1 ZINC001172804979 793512317 /nfs/dbraw/zinc/51/23/17/793512317.db2.gz YBPOVLOUGVTAOI-WCXIOVBPSA-N 1 3 308.466 2.382 20 0 DEADHO COCCCOc1ccc(C[N@@H+]2CC[C@H](N)[C@@H](F)CC2)cc1 ZINC001206185579 793560775 /nfs/dbraw/zinc/56/07/75/793560775.db2.gz OJBXGRLYRAZZKA-IRXDYDNUSA-N 1 3 310.413 2.363 20 0 DEADHO COCCCOc1ccc(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)cc1 ZINC001206185579 793560779 /nfs/dbraw/zinc/56/07/79/793560779.db2.gz OJBXGRLYRAZZKA-IRXDYDNUSA-N 1 3 310.413 2.363 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](CCC(C)(C)C)C[C@H]2C)C1 ZINC001102369946 793588702 /nfs/dbraw/zinc/58/87/02/793588702.db2.gz LQVHIMHZIAHJMC-GVDBMIGSSA-N 1 3 323.525 2.449 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@H]2C)C1 ZINC001102369946 793588707 /nfs/dbraw/zinc/58/87/07/793588707.db2.gz LQVHIMHZIAHJMC-GVDBMIGSSA-N 1 3 323.525 2.449 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+][C@H](C)c1ccccc1C ZINC001174683200 794039399 /nfs/dbraw/zinc/03/93/99/794039399.db2.gz PQRFSRSEBUQQSZ-CQSZACIVSA-N 1 3 314.433 2.426 20 0 DEADHO CC[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(CC)CC)C1 ZINC001103550269 794140901 /nfs/dbraw/zinc/14/09/01/794140901.db2.gz IISJQQDHUUHIOK-GVDBMIGSSA-N 1 3 311.514 2.449 20 0 DEADHO CC[C@H](C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(CC)CC)C1 ZINC001103550269 794140906 /nfs/dbraw/zinc/14/09/06/794140906.db2.gz IISJQQDHUUHIOK-GVDBMIGSSA-N 1 3 311.514 2.449 20 0 DEADHO CC[C@@H](C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103755569 794214455 /nfs/dbraw/zinc/21/44/55/794214455.db2.gz LPKKCCACWLJMSR-BRWVUGGUSA-N 1 3 311.514 2.447 20 0 DEADHO CC[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103755569 794214465 /nfs/dbraw/zinc/21/44/65/794214465.db2.gz LPKKCCACWLJMSR-BRWVUGGUSA-N 1 3 311.514 2.447 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC2CC2)C[C@H]1C ZINC001103756952 794214604 /nfs/dbraw/zinc/21/46/04/794214604.db2.gz GYZXXUVQESWDQN-NXHRZFHOSA-N 1 3 321.509 2.345 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC2CC2)C[C@H]1C ZINC001103756952 794214610 /nfs/dbraw/zinc/21/46/10/794214610.db2.gz GYZXXUVQESWDQN-NXHRZFHOSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@@H](F)C[NH2+]CCCC[C@@H](C)NC(=O)CN(CC)CC ZINC001175787919 794289929 /nfs/dbraw/zinc/28/99/29/794289929.db2.gz ZAVOXXUOQDCWIZ-HUUCEWRRSA-N 1 3 303.466 2.341 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCCC[NH2+]C/C=C\Cl)c1 ZINC001176890560 794523024 /nfs/dbraw/zinc/52/30/24/794523024.db2.gz WWKMHBNMJWSUTR-YWEYNIOJSA-N 1 3 309.841 2.210 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@H]1CCc2c1cccc2F ZINC001176987029 794548436 /nfs/dbraw/zinc/54/84/36/794548436.db2.gz ZRXJCIBSMDAXAE-KRWDZBQOSA-N 1 3 321.440 2.249 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CCc1cccs1 ZINC001176992316 794551532 /nfs/dbraw/zinc/55/15/32/794551532.db2.gz LYJXGKWNOAAZRV-INIZCTEOSA-N 1 3 323.506 2.261 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C(C)C)C1 ZINC001112437080 794635876 /nfs/dbraw/zinc/63/58/76/794635876.db2.gz WRFKZWIQQSPSFJ-YJBOKZPZSA-N 1 3 309.498 2.343 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](C)CC(C)C)C[C@H]21 ZINC001114998770 794650171 /nfs/dbraw/zinc/65/01/71/794650171.db2.gz WAPKZTAXQRJYFN-LISAXSMJSA-N 1 3 309.498 2.057 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)CC(C)C)C[C@H]21 ZINC001114998770 794650173 /nfs/dbraw/zinc/65/01/73/794650173.db2.gz WAPKZTAXQRJYFN-LISAXSMJSA-N 1 3 309.498 2.057 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21 ZINC001115161757 794692786 /nfs/dbraw/zinc/69/27/86/794692786.db2.gz MGWZELAYVHYWGK-QLPKVWCKSA-N 1 3 309.498 2.201 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21 ZINC001115161757 794692791 /nfs/dbraw/zinc/69/27/91/794692791.db2.gz MGWZELAYVHYWGK-QLPKVWCKSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCCC3)C[C@H]21 ZINC001115303477 794728343 /nfs/dbraw/zinc/72/83/43/794728343.db2.gz DGFPJGAVJMARJC-DZFIZOCASA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCCC3)C[C@H]21 ZINC001115303477 794728347 /nfs/dbraw/zinc/72/83/47/794728347.db2.gz DGFPJGAVJMARJC-DZFIZOCASA-N 1 3 321.509 2.343 20 0 DEADHO CC[S@@](=O)CCNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001177850029 794764465 /nfs/dbraw/zinc/76/44/65/794764465.db2.gz MXOQPJTXLKWYSS-JOCHJYFZSA-N 1 3 324.490 2.019 20 0 DEADHO CC/C=C/CC[NH2+][C@H]1CCN(C(=O)CN2CCC[C@@H]2C)[C@H]1C ZINC001179534640 795127662 /nfs/dbraw/zinc/12/76/62/795127662.db2.gz RKXIHYMFPQXBMP-WEFMNJOJSA-N 1 3 307.482 2.406 20 0 DEADHO CCC(CC)C[NH2+][C@H]1CCN(C(=O)CN2CCC[C@@H]2C)[C@H]1C ZINC001179534773 795128063 /nfs/dbraw/zinc/12/80/63/795128063.db2.gz WAHUOMGLUDYVEH-ZOBUZTSGSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@H](F)C[NH2+]CCCCCCNC(=O)CN1CCC[C@H]1C ZINC001179581011 795145015 /nfs/dbraw/zinc/14/50/15/795145015.db2.gz ZOULBAJVFTXZCD-CVEARBPZSA-N 1 3 315.477 2.485 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2)[C@@H]1C ZINC001179987413 795215121 /nfs/dbraw/zinc/21/51/21/795215121.db2.gz VLDBVERXCGIHQN-RDJZCZTQSA-N 1 3 303.450 2.107 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCCC2CCC2)[C@@H]1C ZINC001180226746 795259292 /nfs/dbraw/zinc/25/92/92/795259292.db2.gz KCQSTIWCMIWOBU-RDJZCZTQSA-N 1 3 309.498 2.486 20 0 DEADHO CCOCCC[NH2+]CCCCCCNC(=O)CN(C)C(C)C ZINC001180369453 795292046 /nfs/dbraw/zinc/29/20/46/795292046.db2.gz GVNVGYCFURSSPH-UHFFFAOYSA-N 1 3 315.502 2.019 20 0 DEADHO Cc1cc(C[NH2+]CCCCCCNC(=O)CN(C)C(C)C)on1 ZINC001180369631 795292893 /nfs/dbraw/zinc/29/28/93/795292893.db2.gz PRBIYCVPISBNDN-UHFFFAOYSA-N 1 3 324.469 2.089 20 0 DEADHO CC(C)[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@H]1C ZINC001181442114 795479540 /nfs/dbraw/zinc/47/95/40/795479540.db2.gz XQYZBATUUCRLRR-SOLBZPMBSA-N 1 3 309.498 2.342 20 0 DEADHO CC[C@@H](F)C[NH2+]C1CC2(CC(NC(=O)[C@H](CC)N(C)C)C2)C1 ZINC001121798346 795688957 /nfs/dbraw/zinc/68/89/57/795688957.db2.gz KANNWRSYIDPDGR-BJOWLINFSA-N 1 3 313.461 2.092 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCF)C1)N(C)C ZINC001182517684 795696874 /nfs/dbraw/zinc/69/68/74/795696874.db2.gz VEUHFJXFJUPDRF-BFYDXBDKSA-N 1 3 315.477 2.006 20 0 DEADHO CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)Cc3nc[nH]c3C)C2)C1 ZINC001122118504 795727961 /nfs/dbraw/zinc/72/79/61/795727961.db2.gz NPRWIPZZKHIZQA-WCZUTWHYSA-N 1 3 318.465 2.324 20 0 DEADHO CC(C)N(C)CC(=O)NC1CC2(C1)CC([NH2+]CC1CCC1)C2 ZINC001122243000 795739119 /nfs/dbraw/zinc/73/91/19/795739119.db2.gz VGGJGZPEUGPMHE-UHFFFAOYSA-N 1 3 307.482 2.144 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CCC2CC2)[C@@H](C)C1 ZINC001185549053 796280318 /nfs/dbraw/zinc/28/03/18/796280318.db2.gz OXCQMZBBBZVOME-RDJZCZTQSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)CC[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001185751323 796315567 /nfs/dbraw/zinc/31/55/67/796315567.db2.gz PBKHQDVUGZJLKQ-IAGOWNOFSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]CCC2CC2)[C@@H](C)C1 ZINC001185750974 796315791 /nfs/dbraw/zinc/31/57/91/796315791.db2.gz NGPVFZTYWHQGJG-DOTOQJQBSA-N 1 3 309.498 2.201 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001185919562 796339481 /nfs/dbraw/zinc/33/94/81/796339481.db2.gz VKWFBIBQNSVDQG-OAHLLOKOSA-N 1 3 304.438 2.113 20 0 DEADHO CCC(CC)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001186555813 796415681 /nfs/dbraw/zinc/41/56/81/796415681.db2.gz XZSIIIBNWISKHM-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO CCN(CC)CC(=O)N1CCC([NH2+]CCC2CCCC2)CC1 ZINC001203009891 796487435 /nfs/dbraw/zinc/48/74/35/796487435.db2.gz AXOPDHFTPCIFGK-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001187291152 796515075 /nfs/dbraw/zinc/51/50/75/796515075.db2.gz KQBCOKMLQIINKU-QGZVFWFLSA-N 1 3 321.440 2.188 20 0 DEADHO CCCC[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203028115 796515132 /nfs/dbraw/zinc/51/51/32/796515132.db2.gz KXVUVNSQLSUVOK-LSDHHAIUSA-N 1 3 307.482 2.288 20 0 DEADHO C[NH+](C)Cc1ccc(C(=O)N2CCCc3ccc(CN)nc32)cc1 ZINC001187304308 796521351 /nfs/dbraw/zinc/52/13/51/796521351.db2.gz LEYYGTQATDUHTD-UHFFFAOYSA-N 1 3 324.428 2.195 20 0 DEADHO CC[C@H](F)C[NH2+][C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001188118289 796628649 /nfs/dbraw/zinc/62/86/49/796628649.db2.gz SDJIRSLTYNIFGP-JKSUJKDBSA-N 1 3 321.440 2.300 20 0 DEADHO Cc1ccc(CC[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001188158889 796641323 /nfs/dbraw/zinc/64/13/23/796641323.db2.gz YQNMDWOVGLIVOK-GOSISDBHSA-N 1 3 317.477 2.068 20 0 DEADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1ccc2oc(C)cc2c1 ZINC001150752552 796975052 /nfs/dbraw/zinc/97/50/52/796975052.db2.gz VHZJYHLFGSRBRP-UHFFFAOYSA-N 1 3 316.405 2.419 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]([N@H+](C)CC=C(C)C)C1 ZINC001190445745 796999554 /nfs/dbraw/zinc/99/95/54/796999554.db2.gz ZZSBBGDCEIWNNM-HOTGVXAUSA-N 1 3 313.461 2.165 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]([N@@H+](C)CC=C(C)C)C1 ZINC001190445745 796999556 /nfs/dbraw/zinc/99/95/56/796999556.db2.gz ZZSBBGDCEIWNNM-HOTGVXAUSA-N 1 3 313.461 2.165 20 0 DEADHO Cc1ccc(F)cc1CNCCNC(=O)CC[NH+]1CCCCC1 ZINC001152340886 797173974 /nfs/dbraw/zinc/17/39/74/797173974.db2.gz YCWVKITZQNCGGJ-UHFFFAOYSA-N 1 3 321.440 2.216 20 0 DEADHO CC(C)N(C)CC(=O)NCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001152446059 797188732 /nfs/dbraw/zinc/18/87/32/797188732.db2.gz SDMNXQNYOLRJFM-ZDUSSCGKSA-N 1 3 311.857 2.447 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(Cl)cc1 ZINC001152452260 797189202 /nfs/dbraw/zinc/18/92/02/797189202.db2.gz YMGVXOZHCSSSKF-MRXNPFEDSA-N 1 3 323.868 2.420 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001193621173 797594210 /nfs/dbraw/zinc/59/42/10/797594210.db2.gz DDHIMBYJHQUKMC-QGZVFWFLSA-N 1 3 307.482 2.361 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001193621173 797594213 /nfs/dbraw/zinc/59/42/13/797594213.db2.gz DDHIMBYJHQUKMC-QGZVFWFLSA-N 1 3 307.482 2.361 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC001193641686 797599702 /nfs/dbraw/zinc/59/97/02/797599702.db2.gz IXCKQBISLOBUCZ-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001193641686 797599703 /nfs/dbraw/zinc/59/97/03/797599703.db2.gz IXCKQBISLOBUCZ-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CCN(Cc1ccsc1)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154898559 797635087 /nfs/dbraw/zinc/63/50/87/797635087.db2.gz NQWOVONFGJMXNY-CQSZACIVSA-N 1 3 323.506 2.417 20 0 DEADHO CN(C)Cc1ccnc(N2CC[NH2+]C[C@@H]2c2cccs2)c1 ZINC001156119715 797928000 /nfs/dbraw/zinc/92/80/00/797928000.db2.gz FVWLKVFPECUFJZ-CQSZACIVSA-N 1 3 302.447 2.356 20 0 DEADHO Cc1cc(NCC2(N(C)C)CC[NH+](C)CC2)nc(C2CC2)n1 ZINC001156188448 797942957 /nfs/dbraw/zinc/94/29/57/797942957.db2.gz XICYFFRONGLANX-UHFFFAOYSA-N 1 3 303.454 2.100 20 0 DEADHO N=C(NCCCC[NH3+])Nc1nc(Cl)ncc1-c1ccccc1 ZINC001157097402 798142813 /nfs/dbraw/zinc/14/28/13/798142813.db2.gz VFIQRENUXBBYHD-UHFFFAOYSA-N 1 3 318.812 2.472 20 0 DEADHO Cc1cccc2c(Cl)nnc(NC(=N)NCCCC[NH3+])c12 ZINC001157097039 798143331 /nfs/dbraw/zinc/14/33/31/798143331.db2.gz RFKVYGKZMOIHNL-UHFFFAOYSA-N 1 3 306.801 2.267 20 0 DEADHO CC(C)[C@H](C(=O)NCCNCc1cccc(F)c1)[NH+]1CCCC1 ZINC001152464322 798354076 /nfs/dbraw/zinc/35/40/76/798354076.db2.gz KNXXIJJBOIFXDX-QGZVFWFLSA-N 1 3 321.440 2.152 20 0 DEADHO CCCCC[C@H]([NH2+]C)C(=O)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158335441 798386770 /nfs/dbraw/zinc/38/67/70/798386770.db2.gz SKMLMKJCUHZABV-OKZBNKHCSA-N 1 3 315.461 2.253 20 0 DEADHO CN(C)C1(C(=O)NCCC[NH2+]Cc2cccc(Cl)c2)CCC1 ZINC001159854802 798618807 /nfs/dbraw/zinc/61/88/07/798618807.db2.gz SREOKEROIWMOOI-UHFFFAOYSA-N 1 3 323.868 2.420 20 0 DEADHO CCC[NH+](CCC)CCNC(=S)NCCN1CCCCC1 ZINC001200437844 798627764 /nfs/dbraw/zinc/62/77/64/798627764.db2.gz KJPIDKMHJIUQHL-UHFFFAOYSA-N 1 3 314.543 2.058 20 0 DEADHO Cc1ccc(F)c(C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001160427322 798686897 /nfs/dbraw/zinc/68/68/97/798686897.db2.gz PKVZZCMMKZOPGX-KRWDZBQOSA-N 1 3 323.456 2.316 20 0 DEADHO CC[C@H](C(=O)NCCC1=CC[N@H+](CCC2CC2)CC1)N(C)C ZINC001160479508 798694439 /nfs/dbraw/zinc/69/44/39/798694439.db2.gz ZJIAIDIDNBJAFR-QGZVFWFLSA-N 1 3 307.482 2.265 20 0 DEADHO CC[C@H](C(=O)NCCC1=CC[N@@H+](CCC2CC2)CC1)N(C)C ZINC001160479508 798694443 /nfs/dbraw/zinc/69/44/43/798694443.db2.gz ZJIAIDIDNBJAFR-QGZVFWFLSA-N 1 3 307.482 2.265 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC([NH2+]CCCC2CCC2)CC1)C1CC1 ZINC001201051915 798710809 /nfs/dbraw/zinc/71/08/09/798710809.db2.gz AMLQWGBPUSZCGF-SFHVURJKSA-N 1 3 321.509 2.488 20 0 DEADHO CCCCCC[NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001201053857 798711070 /nfs/dbraw/zinc/71/10/70/798711070.db2.gz ZGXCVBMFXWLXEN-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]CCCCCF)CC1)C1CC1 ZINC001201053079 798711259 /nfs/dbraw/zinc/71/12/59/798711259.db2.gz KGOXDBMFNXGZKC-MRXNPFEDSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001160883499 798755082 /nfs/dbraw/zinc/75/50/82/798755082.db2.gz OYSALOURFIGKFS-OAHLLOKOSA-N 1 3 311.857 2.276 20 0 DEADHO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)C(=O)[C@H]1CC[C@@H]1[NH3+] ZINC001160957350 798770448 /nfs/dbraw/zinc/77/04/48/798770448.db2.gz QZMKMBSSJBUSKN-DKIMLUQUSA-N 1 3 315.461 2.093 20 0 DEADHO CCC(CC)[NH+]1CCC(Nc2cc3c(nn2)CCNC3)CC1 ZINC001161097839 798795426 /nfs/dbraw/zinc/79/54/26/798795426.db2.gz DRNKCMBUPQTJOU-UHFFFAOYSA-N 1 3 303.454 2.187 20 0 DEADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[C@@H](N)c1cccc(Cl)c1Cl ZINC001161529468 798876367 /nfs/dbraw/zinc/87/63/67/798876367.db2.gz DIJGBMXWTJYKKC-VDDIYKPWSA-N 1 3 316.232 2.331 20 0 DEADHO CC[C@@H](F)C[NH2+]C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001202526359 799102865 /nfs/dbraw/zinc/10/28/65/799102865.db2.gz FLVVBJLPDLOFKB-CQSZACIVSA-N 1 3 313.461 2.047 20 0 DEADHO CN1CCN(c2ccc(N[C@@]34CCC[C@@H]3[NH2+]CC4)cc2)CC1 ZINC001162982473 799214871 /nfs/dbraw/zinc/21/48/71/799214871.db2.gz BGXRUIAMUUCGAS-ZWKOTPCHSA-N 1 3 300.450 2.135 20 0 DEADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001095437081 799595700 /nfs/dbraw/zinc/59/57/00/799595700.db2.gz IUMHSSUBTGRGJN-MTSZKFMLSA-N 1 3 305.466 2.014 20 0 DEADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001095437081 799595707 /nfs/dbraw/zinc/59/57/07/799595707.db2.gz IUMHSSUBTGRGJN-MTSZKFMLSA-N 1 3 305.466 2.014 20 0 DEADHO CC[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001165617410 799752073 /nfs/dbraw/zinc/75/20/73/799752073.db2.gz NLZRYFTXRXNWRO-CVEARBPZSA-N 1 3 311.514 2.495 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001110959608 799797294 /nfs/dbraw/zinc/79/72/94/799797294.db2.gz SVVBSFYNNRQUPQ-KURKYZTESA-N 1 3 315.461 2.250 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)CN2CCC[C@H]2C)cc1F ZINC001166626973 799904493 /nfs/dbraw/zinc/90/44/93/799904493.db2.gz NFSVWQXLGOXEMF-OAHLLOKOSA-N 1 3 321.440 2.214 20 0 DEADHO C[C@H]([NH2+]CCCNC(=O)CN1CCC[C@@H]1C)c1ccccc1 ZINC001166627408 799904672 /nfs/dbraw/zinc/90/46/72/799904672.db2.gz VBTKSWKXEOGBAP-HOTGVXAUSA-N 1 3 303.450 2.328 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[NH2+][C@H]2CCc3ccccc32)C1 ZINC001166678412 799917716 /nfs/dbraw/zinc/91/77/16/799917716.db2.gz UYXLEFALZIDUIT-YJBOKZPZSA-N 1 3 315.461 2.112 20 0 DEADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCCC[NH2+]CC2CCC2)C1 ZINC001166687407 799921576 /nfs/dbraw/zinc/92/15/76/799921576.db2.gz QGLKTATYBAYLAV-KRWDZBQOSA-N 1 3 313.461 2.095 20 0 DEADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCCC[NH2+]C/C=C/Cl)C1 ZINC001166687276 799921633 /nfs/dbraw/zinc/92/16/33/799921633.db2.gz LLXDUOYAVROYRR-SZTZYQKNSA-N 1 3 319.852 2.047 20 0 DEADHO CN(CC(=O)NCCC[NH2+]Cc1ccccc1)CC(C)(C)C ZINC001166744434 799938092 /nfs/dbraw/zinc/93/80/92/799938092.db2.gz WULBTNUGKSSAAN-UHFFFAOYSA-N 1 3 305.466 2.260 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CCC(C)C)C12CCC2 ZINC001203657928 800100633 /nfs/dbraw/zinc/10/06/33/800100633.db2.gz AHUCWBXXYIIOJC-HOTGVXAUSA-N 1 3 318.465 2.324 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]CCC(C)C)CC1 ZINC001203902648 800144129 /nfs/dbraw/zinc/14/41/29/800144129.db2.gz HKZXWCICANUUMQ-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CCCCCC[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001204798490 800259284 /nfs/dbraw/zinc/25/92/84/800259284.db2.gz JTWSZOOQEVRCSQ-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CCOC(=O)c1ccc(CCC[N@@H+]2CCNCC[C@@H]2C)cc1 ZINC001205325623 800344108 /nfs/dbraw/zinc/34/41/08/800344108.db2.gz PXDUBBFEABHMCZ-HNNXBMFYSA-N 1 3 304.434 2.480 20 0 DEADHO CCOC(=O)c1ccc(CCC[N@H+]2CCNCC[C@@H]2C)cc1 ZINC001205325623 800344117 /nfs/dbraw/zinc/34/41/17/800344117.db2.gz PXDUBBFEABHMCZ-HNNXBMFYSA-N 1 3 304.434 2.480 20 0 DEADHO C[C@@H]1CCN(Cc2ccnn2[C@@H]2CCCCO2)CC[C@H]1C[NH3+] ZINC001205617809 800387663 /nfs/dbraw/zinc/38/76/63/800387663.db2.gz NZNNPDCFPCUDDI-VYDXJSESSA-N 1 3 306.454 2.389 20 0 DEADHO Cc1ccc(OC(C)C)cc1CN1CCCC[C@@](O)(C[NH3+])C1 ZINC001205733956 800410877 /nfs/dbraw/zinc/41/08/77/800410877.db2.gz ABNPKQWMWQFYHW-GOSISDBHSA-N 1 3 306.450 2.458 20 0 DEADHO CN(C)Cc1cc(F)cc(CN2C[C@H]([NH3+])CC(F)(F)C2)c1 ZINC001206138297 800478541 /nfs/dbraw/zinc/47/85/41/800478541.db2.gz AMYYZQFUQKFWNX-CQSZACIVSA-N 1 3 301.356 2.056 20 0 DEADHO N[C@@H]1CC[N@H+](Cc2ccc(C(=O)N3CCCC3)cc2)CC[C@H]1F ZINC001206165599 800482707 /nfs/dbraw/zinc/48/27/07/800482707.db2.gz ORKOJVOZZQNPGU-IAGOWNOFSA-N 1 3 319.424 2.184 20 0 DEADHO N[C@@H]1CC[N@@H+](Cc2ccc(C(=O)N3CCCC3)cc2)CC[C@H]1F ZINC001206165599 800482708 /nfs/dbraw/zinc/48/27/08/800482708.db2.gz ORKOJVOZZQNPGU-IAGOWNOFSA-N 1 3 319.424 2.184 20 0 DEADHO CN(C)CC(C)(C)C[N@@H+]1CCCN(c2ccc(F)cn2)CC1 ZINC001207274947 800720874 /nfs/dbraw/zinc/72/08/74/800720874.db2.gz HRSIZERFLNPLGO-UHFFFAOYSA-N 1 3 308.445 2.321 20 0 DEADHO CN(C)CC(C)(C)C[N@H+]1CCCN(c2ccc(F)cn2)CC1 ZINC001207274947 800720875 /nfs/dbraw/zinc/72/08/75/800720875.db2.gz HRSIZERFLNPLGO-UHFFFAOYSA-N 1 3 308.445 2.321 20 0 DEADHO CC1=CC[C@H](CC[N@@H+]2CCC(=O)N(CCN(C)C)CC2)C1(C)C ZINC001207276792 800721115 /nfs/dbraw/zinc/72/11/15/800721115.db2.gz OSSISVYACFDQMT-QGZVFWFLSA-N 1 3 321.509 2.465 20 0 DEADHO CC1=CC[C@H](CC[N@H+]2CCC(=O)N(CCN(C)C)CC2)C1(C)C ZINC001207276792 800721120 /nfs/dbraw/zinc/72/11/20/800721120.db2.gz OSSISVYACFDQMT-QGZVFWFLSA-N 1 3 321.509 2.465 20 0 DEADHO C[NH+](C)CC(C)(C)CN1C[C@@H]2C(=O)N(c3ccsc3)C[C@@H]2C1 ZINC001207281442 800721949 /nfs/dbraw/zinc/72/19/49/800721949.db2.gz DIMRCGOSVABBRV-ZFWWWQNUSA-N 1 3 321.490 2.231 20 0 DEADHO CN1c2ccccc2[C@@]2(CCN(CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001207282957 800722599 /nfs/dbraw/zinc/72/25/99/800722599.db2.gz ZIGSOPIYHIDBJI-IBGZPJMESA-N 1 3 315.461 2.194 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000935797197 800772302 /nfs/dbraw/zinc/77/23/02/800772302.db2.gz NLRPKCYGPIJYKI-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)C(=O)[C@H]1CC12CCN(CC1(C[NH+](C)C)CCCC1)CC2 ZINC001208187350 800925639 /nfs/dbraw/zinc/92/56/39/800925639.db2.gz UXJGKXLAKCQDNS-MRXNPFEDSA-N 1 3 321.509 2.299 20 0 DEADHO CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001208334057 800957618 /nfs/dbraw/zinc/95/76/18/800957618.db2.gz DPNVLDGWAADREZ-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001208335126 800958013 /nfs/dbraw/zinc/95/80/13/800958013.db2.gz QIXNGUCAKWVJKJ-DJAVDHGHSA-N 1 3 307.482 2.264 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1)C1CC1 ZINC001208334158 800958091 /nfs/dbraw/zinc/95/80/91/800958091.db2.gz GLXWJBCDDYIABQ-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001208454062 800986665 /nfs/dbraw/zinc/98/66/65/800986665.db2.gz RVEFOWFLWZLLTA-LBPRGKRZSA-N 1 3 323.403 2.250 20 0 DEADHO CCc1ccc(CN2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001208495931 800996250 /nfs/dbraw/zinc/99/62/50/800996250.db2.gz DHPYNKSXJHOZIO-CRAIPNDOSA-N 1 3 317.477 2.137 20 0 DEADHO CNC(=O)C[N@@H+]1CCCC12CCN(CCC1CCCC1)CC2 ZINC001208692686 801048561 /nfs/dbraw/zinc/04/85/61/801048561.db2.gz ASHCNCQXDNGULX-UHFFFAOYSA-N 1 3 307.482 2.243 20 0 DEADHO CNC(=O)C[N@H+]1CCCC12CCN(CCC1CCCC1)CC2 ZINC001208692686 801048562 /nfs/dbraw/zinc/04/85/62/801048562.db2.gz ASHCNCQXDNGULX-UHFFFAOYSA-N 1 3 307.482 2.243 20 0 DEADHO CC/C=C\CC[NH+]1CCC(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001229185243 801238257 /nfs/dbraw/zinc/23/82/57/801238257.db2.gz JTXWUADLGTVZMP-AWFCHZOYSA-N 1 3 307.482 2.265 20 0 DEADHO CC[C@H](F)C[NH2+][C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001210282986 801367895 /nfs/dbraw/zinc/36/78/95/801367895.db2.gz LPNRRRKPFUNAIM-JKSUJKDBSA-N 1 3 313.461 2.047 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CCC)CC1 ZINC001230618852 801438035 /nfs/dbraw/zinc/43/80/35/801438035.db2.gz RQGADODTCAQVLF-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@H]2CCC[N@H+]2CCC)CC1 ZINC001230618852 801438039 /nfs/dbraw/zinc/43/80/39/801438039.db2.gz RQGADODTCAQVLF-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001210781887 801462769 /nfs/dbraw/zinc/46/27/69/801462769.db2.gz DLIVWICCZAQRQU-KRWDZBQOSA-N 1 3 321.440 2.248 20 0 DEADHO CCCN(C)CC(=O)NCCC[N@H+](CCC)Cc1cccnc1 ZINC001230905142 801527800 /nfs/dbraw/zinc/52/78/00/801527800.db2.gz BOMHYHPMQNMNPC-UHFFFAOYSA-N 1 3 320.481 2.142 20 0 DEADHO CCCN(C)CC(=O)NCCC[N@@H+](CCC)Cc1cccnc1 ZINC001230905142 801527807 /nfs/dbraw/zinc/52/78/07/801527807.db2.gz BOMHYHPMQNMNPC-UHFFFAOYSA-N 1 3 320.481 2.142 20 0 DEADHO Cc1ccc(CN2CCN(CC3CC[NH+](C)CC3)CC2)c(C)n1 ZINC001232082937 801788462 /nfs/dbraw/zinc/78/84/62/801788462.db2.gz NFGBJFCCZIEGJZ-UHFFFAOYSA-N 1 3 316.493 2.158 20 0 DEADHO CCC(CC)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001215541018 801873348 /nfs/dbraw/zinc/87/33/48/801873348.db2.gz VASACGZFEKHGIU-BFYDXBDKSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)c1ccc(-c2nnc([C@]34C[NH2+]C[C@H]3CNCC4)o2)cc1 ZINC001217707139 802102963 /nfs/dbraw/zinc/10/29/63/802102963.db2.gz YEZCRVIRLMCFCC-CRAIPNDOSA-N 1 3 312.417 2.311 20 0 DEADHO CCOc1ccc(-c2nnc(CNCC3CC[NH2+]CC3)o2)cc1 ZINC001217757720 802112018 /nfs/dbraw/zinc/11/20/18/802112018.db2.gz RNQKKGPVQLAGRF-UHFFFAOYSA-N 1 3 316.405 2.225 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cc(C(F)(F)F)no1 ZINC001218560393 802205045 /nfs/dbraw/zinc/20/50/45/802205045.db2.gz QRFCKBPOIWXLTJ-VIFPVBQESA-N 1 3 322.331 2.128 20 0 DEADHO Nc1cn(C(=O)C[C@H](N)c2cccc3ccccc32)ccc1=[NH2+] ZINC001218694300 802229136 /nfs/dbraw/zinc/22/91/36/802229136.db2.gz WFEYEGBEATXYTI-INIZCTEOSA-N 1 3 306.369 2.433 20 0 DEADHO Nc1ccc(-c2ccc(NC(=O)[C@@H](N)C3CC[NH2+]CC3)cc2)cc1 ZINC001218863150 802252486 /nfs/dbraw/zinc/25/24/86/802252486.db2.gz YSKCYCNMDYPCPO-SFHVURJKSA-N 1 3 324.428 2.201 20 0 DEADHO CC(C)(C[NH3+])c1ccc(NC(=O)c2ccc3c(n2)CCNC3)cc1 ZINC001218898096 802255316 /nfs/dbraw/zinc/25/53/16/802255316.db2.gz ZAJQNUIRRBONRK-UHFFFAOYSA-N 1 3 324.428 2.216 20 0 DEADHO CCN(CC)c1ccc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)c(C)c1 ZINC001218923422 802260717 /nfs/dbraw/zinc/26/07/17/802260717.db2.gz SDXSQIUHQMEMRX-KRWDZBQOSA-N 1 3 318.465 2.107 20 0 DEADHO C[C@@H](N)C(=O)Nc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)CC2 ZINC001219487109 802337961 /nfs/dbraw/zinc/33/79/61/802337961.db2.gz YWXLOQRRQUPEHY-CXAGYDPISA-N 1 3 301.434 2.316 20 0 DEADHO N[C@H](C(=O)NC1CCC(c2ccccc2)CC1)C1CC[NH2+]CC1 ZINC001219950217 802394450 /nfs/dbraw/zinc/39/44/50/802394450.db2.gz NHTUWGUOHKOZEP-VJFUWPCTSA-N 1 3 315.461 2.156 20 0 DEADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001219998918 802400247 /nfs/dbraw/zinc/40/02/47/802400247.db2.gz FWMJBLMWXYTHHK-ULQDDVLXSA-N 1 3 319.424 2.030 20 0 DEADHO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1C[C@@H](F)CCN1 ZINC001219998918 802400250 /nfs/dbraw/zinc/40/02/50/802400250.db2.gz FWMJBLMWXYTHHK-ULQDDVLXSA-N 1 3 319.424 2.030 20 0 DEADHO O=C(NCc1ccccc1C1CC1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220003920 802400337 /nfs/dbraw/zinc/40/03/37/802400337.db2.gz XUMGWCCWZSKDLU-QGZVFWFLSA-N 1 3 313.445 2.054 20 0 DEADHO O=C(NCc1ccccc1C1CC1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220003920 802400343 /nfs/dbraw/zinc/40/03/43/802400343.db2.gz XUMGWCCWZSKDLU-QGZVFWFLSA-N 1 3 313.445 2.054 20 0 DEADHO C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])c1ccccc1C(F)(F)F ZINC001220559295 802474306 /nfs/dbraw/zinc/47/43/06/802474306.db2.gz YPNZGGSNFSCLJU-GWCFXTLKSA-N 1 3 317.355 2.339 20 0 DEADHO Cc1cccc([C@@H](C)NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)c1C ZINC001221312209 802553766 /nfs/dbraw/zinc/55/37/66/802553766.db2.gz YIOZXAGFRRVBCT-WBVHZDCISA-N 1 3 315.461 2.355 20 0 DEADHO Cc1cccc([C@@H](C)NC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)c1C ZINC001221312209 802553769 /nfs/dbraw/zinc/55/37/69/802553769.db2.gz YIOZXAGFRRVBCT-WBVHZDCISA-N 1 3 315.461 2.355 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CCC(C)C)C[C@H]21 ZINC001221654163 802600795 /nfs/dbraw/zinc/60/07/95/802600795.db2.gz CAFTUJXLCRAYMJ-HZPDHXFCSA-N 1 3 309.498 2.296 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CCC(C)C)C[C@H]21 ZINC001221654163 802600798 /nfs/dbraw/zinc/60/07/98/802600798.db2.gz CAFTUJXLCRAYMJ-HZPDHXFCSA-N 1 3 309.498 2.296 20 0 DEADHO Cc1cc(C)c(Cl)c(CN2CCNC3(CC[NH2+]CC3)C2)c1 ZINC001222104514 802645071 /nfs/dbraw/zinc/64/50/71/802645071.db2.gz HQYVSDTUBNCEKN-UHFFFAOYSA-N 1 3 307.869 2.484 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC(CNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001223464850 802791777 /nfs/dbraw/zinc/79/17/77/802791777.db2.gz CIWQCVBLRJSRSX-PBHICJAKSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@@H](F)CN1CCC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001224402232 802864972 /nfs/dbraw/zinc/86/49/72/802864972.db2.gz AQNULCPTSULFEB-HZPDHXFCSA-N 1 3 315.477 2.149 20 0 DEADHO CC1CC(C[NH+]2CCC(CNC(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001224560463 802881505 /nfs/dbraw/zinc/88/15/05/802881505.db2.gz URAZHISWGCLIOI-HJOIGYKYSA-N 1 3 321.509 2.203 20 0 DEADHO CC(C)=CC[NH+]1CCC(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001224559426 802881804 /nfs/dbraw/zinc/88/18/04/802881804.db2.gz NOVCHFZBAALDGR-MRXNPFEDSA-N 1 3 307.482 2.123 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1CC[NH+](CCCCCF)CC1 ZINC001225284051 802950357 /nfs/dbraw/zinc/95/03/57/802950357.db2.gz CXXIALZRBXHQRF-UHFFFAOYSA-N 1 3 324.444 2.229 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1CC[NH+](CCC2CC2)CC1 ZINC001225541344 802979329 /nfs/dbraw/zinc/97/93/29/802979329.db2.gz AKTCZCHRJVMBKC-HZPDHXFCSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)C[NH+]1CCC(CNC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001225542163 802979495 /nfs/dbraw/zinc/97/94/95/802979495.db2.gz IXPQLJRCYNPKBF-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CCCCCC[NH+]1CCC(NC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001227797853 803281216 /nfs/dbraw/zinc/28/12/16/803281216.db2.gz NPNKLFMPXLBTPV-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CC/C=C\CC[NH+]1CCC(NC(=O)C2(N(C)C)CCC2)CC1 ZINC001227807529 803283242 /nfs/dbraw/zinc/28/32/42/803283242.db2.gz SGUUETRUOGKMOK-WAYWQWQTSA-N 1 3 307.482 2.408 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC12CC[NH+](CCC1CC1)CC2)N(C)C ZINC001370077094 1149379540 /nfs/dbraw/zinc/37/95/40/1149379540.db2.gz BVSCYLJCQWAANC-CVEARBPZSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2CC(C)C)[NH+](CC)CC ZINC001418863342 1168018567 /nfs/dbraw/zinc/01/85/67/1168018567.db2.gz AHHUHEWAPBEDJT-IXDOHACOSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]([NH2+]CC1CC(C)(C)C1)C1CC1)N(C)C ZINC001370167456 1149411307 /nfs/dbraw/zinc/41/13/07/1149411307.db2.gz LXIVHRTXUFGEMU-IRXDYDNUSA-N 1 3 323.525 2.493 20 0 DEADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]Cc1ccccc1F ZINC001368847145 1148713315 /nfs/dbraw/zinc/71/33/15/1148713315.db2.gz SYCHVXKZAHHADI-UONOGXRCSA-N 1 3 321.440 2.293 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]C[C@H](O)c2cccc(F)c2)C[C@H](C)O1 ZINC001335349930 1150398320 /nfs/dbraw/zinc/39/83/20/1150398320.db2.gz AILHVXDYYXLJCI-DAYGRLMNSA-N 1 3 324.440 2.338 20 0 DEADHO C[C@H](NC(=O)C(C)(C)N1CCCC1)[C@H](C)[NH2+]C/C=C\Cl ZINC001368859225 1148723819 /nfs/dbraw/zinc/72/38/19/1148723819.db2.gz DDOLBXIFKYEARM-YHQHFJRFSA-N 1 3 301.862 2.096 20 0 DEADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CCN(CCC(F)(F)F)C1 ZINC001420552796 1169783979 /nfs/dbraw/zinc/78/39/79/1169783979.db2.gz CNJKLQXBTRWTRS-ZDUSSCGKSA-N 1 3 323.403 2.109 20 0 DEADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCN(CCC(F)(F)F)C1 ZINC001420552796 1169784001 /nfs/dbraw/zinc/78/40/01/1169784001.db2.gz CNJKLQXBTRWTRS-ZDUSSCGKSA-N 1 3 323.403 2.109 20 0 DEADHO CCC(CC)C[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001368345460 1148420460 /nfs/dbraw/zinc/42/04/60/1148420460.db2.gz DFVRGDYSPUEGOK-RDJZCZTQSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC001370432727 1149712644 /nfs/dbraw/zinc/71/26/44/1149712644.db2.gz WPKPUZMVYHTGDG-WMZOPIPTSA-N 1 3 315.461 2.205 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)C[C@@H]2CC[N@@H+]2CC2CC(C)(C)C2)C1 ZINC001368397550 1148432412 /nfs/dbraw/zinc/43/24/12/1148432412.db2.gz FZLFZMJXIHUFAE-WBVHZDCISA-N 1 3 321.509 2.297 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)C[C@@H]2CC[N@H+]2CC2CC(C)(C)C2)C1 ZINC001368397550 1148432415 /nfs/dbraw/zinc/43/24/15/1148432415.db2.gz FZLFZMJXIHUFAE-WBVHZDCISA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)(C)CC[C@@H](N)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1 ZINC001575131940 1069375256 /nfs/dbraw/zinc/37/52/56/1069375256.db2.gz ZGOKGUSZFOISLF-IXDOHACOSA-N 1 3 317.477 2.341 20 0 DEADHO CC(C)(C)CC[C@@H](N)C[N@H+]1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1 ZINC001575131940 1069375246 /nfs/dbraw/zinc/37/52/46/1069375246.db2.gz ZGOKGUSZFOISLF-IXDOHACOSA-N 1 3 317.477 2.341 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]Cc2ccccc2)CCC1)N(C)C ZINC001368474191 1148459451 /nfs/dbraw/zinc/45/94/51/1148459451.db2.gz FMSAEJYPKCWXAR-MRXNPFEDSA-N 1 3 303.450 2.155 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H](C)N(C)Cc1ccc(F)cc1)[NH+](C)C ZINC001368960497 1148808119 /nfs/dbraw/zinc/80/81/19/1148808119.db2.gz LQMMSYPEOPTHGN-PBHICJAKSA-N 1 3 323.456 2.348 20 0 DEADHO CCCCCC[N@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001328766788 1148833655 /nfs/dbraw/zinc/83/36/55/1148833655.db2.gz UXVFOHQNLLBXPL-MRXNPFEDSA-N 1 3 306.454 2.455 20 0 DEADHO CCCCCC[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001328766788 1148833656 /nfs/dbraw/zinc/83/36/56/1148833656.db2.gz UXVFOHQNLLBXPL-MRXNPFEDSA-N 1 3 306.454 2.455 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC[N@@H+](C)CC[C@@H](C)F ZINC001366569548 1147362122 /nfs/dbraw/zinc/36/21/22/1147362122.db2.gz FMCAYLWFGNOVLU-CABCVRRESA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC[N@H+](C)CC[C@@H](C)F ZINC001366569548 1147362128 /nfs/dbraw/zinc/36/21/28/1147362128.db2.gz FMCAYLWFGNOVLU-CABCVRRESA-N 1 3 301.450 2.045 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1CN(Cc2ccccc2)CC1(C)C ZINC001369126927 1148854126 /nfs/dbraw/zinc/85/41/26/1148854126.db2.gz LVEKCFXCVLGAEP-KRWDZBQOSA-N 1 3 317.477 2.355 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1CN(Cc2ccccc2)CC1(C)C ZINC001369126927 1148854129 /nfs/dbraw/zinc/85/41/29/1148854129.db2.gz LVEKCFXCVLGAEP-KRWDZBQOSA-N 1 3 317.477 2.355 20 0 DEADHO CN(CC(=O)N1CCC[C@H]1C[NH2+]CCC(F)(F)F)C1CCC1 ZINC001499902000 1058361266 /nfs/dbraw/zinc/36/12/66/1058361266.db2.gz YPUDVKLQBQRGBB-ZDUSSCGKSA-N 1 3 321.387 2.004 20 0 DEADHO c1cc(CNCCc2ccc(OCC[NH+]3CCCC3)cc2)n[nH]1 ZINC001461400130 1058652032 /nfs/dbraw/zinc/65/20/32/1058652032.db2.gz SDHKYKYEYCIABD-UHFFFAOYSA-N 1 3 314.433 2.217 20 0 DEADHO CCCn1cc(CN2CCC(OCC[NH+](C)C)CC2)c(C)n1 ZINC001461978465 1058745132 /nfs/dbraw/zinc/74/51/32/1058745132.db2.gz LSZAXVQIWSEQNB-UHFFFAOYSA-N 1 3 308.470 2.144 20 0 DEADHO c1ccc2c(c1)CO[C@H]2CNC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001462660304 1058878516 /nfs/dbraw/zinc/87/85/16/1058878516.db2.gz JEBJMIANWYHTLM-MJGOQNOKSA-N 1 3 316.445 2.491 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC3CCC3)C[C@H]2C1 ZINC001369163578 1148859221 /nfs/dbraw/zinc/85/92/21/1148859221.db2.gz QRGKHFDOWNIZAE-RCCFBDPRSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC3CCC3)C[C@H]2C1 ZINC001369163578 1148859222 /nfs/dbraw/zinc/85/92/22/1148859222.db2.gz QRGKHFDOWNIZAE-RCCFBDPRSA-N 1 3 321.509 2.343 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1([NH2+]CC2CCC2)CCC1 ZINC001502029401 1059886827 /nfs/dbraw/zinc/88/68/27/1059886827.db2.gz WMNKYFRTNVFOIX-HUUCEWRRSA-N 1 3 307.482 2.288 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+][C@@H]2COC3(CCC3)C2)CC1 ZINC001474681598 1060917588 /nfs/dbraw/zinc/91/75/88/1060917588.db2.gz KMBBZMWJJAYYOB-CGZBRXJRSA-N 1 3 308.466 2.321 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CC1CC(C)(C)C1)N(C)C ZINC001505940094 1061156344 /nfs/dbraw/zinc/15/63/44/1061156344.db2.gz VPZGXGAFJCWWSG-ZBFHGGJFSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CC1CC(C)(C)C1)N(C)C ZINC001505940094 1061156354 /nfs/dbraw/zinc/15/63/54/1061156354.db2.gz VPZGXGAFJCWWSG-ZBFHGGJFSA-N 1 3 311.514 2.445 20 0 DEADHO C[C@H](CNC(=O)CC[NH+](C)C)N(C)Cc1cccc(Cl)c1 ZINC001505992189 1061229532 /nfs/dbraw/zinc/22/95/32/1061229532.db2.gz AMFAKDQAGWQPAG-CYBMUJFWSA-N 1 3 311.857 2.228 20 0 DEADHO CC(C)N(C)CC(=O)N1CC2(C[C@H]1C)CC[NH+](CC1CC1)CC2 ZINC001479504020 1061481272 /nfs/dbraw/zinc/48/12/72/1061481272.db2.gz QMFZUQKKQTZKGN-MRXNPFEDSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@H](NC(=O)CN1CC[C@H](C)C1)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC001506657158 1062245077 /nfs/dbraw/zinc/24/50/77/1062245077.db2.gz WSQOISIJPAXEPT-GJZGRUSLSA-N 1 3 321.509 2.201 20 0 DEADHO CC(C)=CCN1CC([C@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001506677084 1062271082 /nfs/dbraw/zinc/27/10/82/1062271082.db2.gz DJAVEYTUHKRPPK-INIZCTEOSA-N 1 3 307.482 2.265 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]([NH2+]C/C=C\Cl)C(C)C ZINC001506994913 1062648541 /nfs/dbraw/zinc/64/85/41/1062648541.db2.gz GCFYWUBSKFNSIO-RYWCDNDXSA-N 1 3 312.845 2.134 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)[C@H](C[NH2+]CC2CCCC2)C2CC2)C1 ZINC001507026382 1062688803 /nfs/dbraw/zinc/68/88/03/1062688803.db2.gz CCAIJKAQLLCELH-CRAIPNDOSA-N 1 3 321.509 2.345 20 0 DEADHO CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001480380908 1062761607 /nfs/dbraw/zinc/76/16/07/1062761607.db2.gz ZDYOGIXAJNLYHB-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001480380908 1062761629 /nfs/dbraw/zinc/76/16/29/1062761629.db2.gz ZDYOGIXAJNLYHB-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](CN(C)C(=O)CCC[NH+]1CCCC1)NC/C=C\Cl ZINC001507161543 1062935975 /nfs/dbraw/zinc/93/59/75/1062935975.db2.gz LYFLLABJYOBWIZ-QPBFKRLHSA-N 1 3 301.862 2.051 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]C/C=C\Cl)CN1C(=O)CN(C)CC(C)(C)C ZINC001507328457 1063101573 /nfs/dbraw/zinc/10/15/73/1063101573.db2.gz VPEOAWFBCNPUNL-WJDZFGBRSA-N 1 3 315.889 2.296 20 0 DEADHO Cc1cccc([C@H](C)[NH2+]CCN(C)C(=O)[C@H]2CCCN2C)c1 ZINC001493501720 1063835685 /nfs/dbraw/zinc/83/56/85/1063835685.db2.gz WZTQYDJAWWQEJF-DOTOQJQBSA-N 1 3 303.450 2.198 20 0 DEADHO C[C@@H](NCCN(C)C(=O)C1CC[NH+](C)CC1)c1ccccc1F ZINC001493682724 1063914957 /nfs/dbraw/zinc/91/49/57/1063914957.db2.gz ZYIUMTPJOAQXHQ-CQSZACIVSA-N 1 3 321.440 2.277 20 0 DEADHO CC[C@@H](C)C[N@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001494213173 1064176549 /nfs/dbraw/zinc/17/65/49/1064176549.db2.gz FZMIRLPSIUJVQJ-MRXNPFEDSA-N 1 3 309.498 2.299 20 0 DEADHO CC[C@@H](C)C[N@@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001494213173 1064176554 /nfs/dbraw/zinc/17/65/54/1064176554.db2.gz FZMIRLPSIUJVQJ-MRXNPFEDSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N(C)CCNCc2ccsc2)CC1 ZINC001567584057 1064264711 /nfs/dbraw/zinc/26/47/11/1064264711.db2.gz MTVDVFIDZPDTAA-UHFFFAOYSA-N 1 3 323.506 2.417 20 0 DEADHO CCCN(C)CC(=O)NCC1C[NH+](CC2CCCCCC2)C1 ZINC001494626694 1064365119 /nfs/dbraw/zinc/36/51/19/1064365119.db2.gz JGYHIUJPOAHLAD-UHFFFAOYSA-N 1 3 309.498 2.347 20 0 DEADHO CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001494773512 1064461588 /nfs/dbraw/zinc/46/15/88/1064461588.db2.gz SXESYCJZNGJLAP-GVDBMIGSSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)C[C@H](C)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001494773512 1064461593 /nfs/dbraw/zinc/46/15/93/1064461593.db2.gz SXESYCJZNGJLAP-GVDBMIGSSA-N 1 3 311.514 2.445 20 0 DEADHO CC[C@H](CNC(=O)Cc1nc[nH]c1C)[NH2+]CC1=CCCCC1 ZINC001567986230 1064578568 /nfs/dbraw/zinc/57/85/68/1064578568.db2.gz ZUWNNLHMNHJHCC-OAHLLOKOSA-N 1 3 304.438 2.245 20 0 DEADHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]C/C=C/c1ccccc1)N(C)C ZINC001568281888 1064751655 /nfs/dbraw/zinc/75/16/55/1064751655.db2.gz YZAQXZYAACCDPB-PZQFMBMYSA-N 1 3 317.477 2.477 20 0 DEADHO CC(C)N(C)CC(=O)NC1(C[NH2+]C/C=C/Cl)CCCC1 ZINC001495211951 1064766317 /nfs/dbraw/zinc/76/63/17/1064766317.db2.gz PHTJTLKGELHVHC-RMKNXTFCSA-N 1 3 301.862 2.098 20 0 DEADHO Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)CN2CC[C@@H](C)C2)cs1 ZINC001495742948 1065089046 /nfs/dbraw/zinc/08/90/46/1065089046.db2.gz LSVQVLSJBWQHPE-ZIAGYGMSSA-N 1 3 323.506 2.240 20 0 DEADHO Cc1cccc([C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]2CCCN2C)c1 ZINC001568828297 1065143768 /nfs/dbraw/zinc/14/37/68/1065143768.db2.gz XCJQRZFURJINEU-NCWIEVAOSA-N 1 3 315.461 2.412 20 0 DEADHO C[C@@H](C[NH2+]CCC1CCCC1)N(C)C(=O)CN(C)C1CCC1 ZINC001496080359 1065265250 /nfs/dbraw/zinc/26/52/50/1065265250.db2.gz MIZYLFGVVNYUGI-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1ccc(CC[NH2+]C[C@H](C)NC(=O)CN(C)C2CCC2)cc1 ZINC001569062349 1065265855 /nfs/dbraw/zinc/26/58/55/1065265855.db2.gz XALFPFKTSKVPJS-INIZCTEOSA-N 1 3 317.477 2.116 20 0 DEADHO C[C@H](C[NH2+]CCC1CCCCC1)N(C)C(=O)CN1CCCC1 ZINC001496230441 1065352144 /nfs/dbraw/zinc/35/21/44/1065352144.db2.gz WPLVWHAFWBWKCV-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCCC[C@@H]2CC[NH2+]CC2CCC2)C1 ZINC001496410789 1065453307 /nfs/dbraw/zinc/45/33/07/1065453307.db2.gz DXYZUXCOBQLUND-FUHWJXTLSA-N 1 3 321.509 2.489 20 0 DEADHO Cc1ccc(C[N@@H+](C)CCN(C)C(=O)[C@@H]2CCCN2C)c(C)c1 ZINC001496679926 1065641672 /nfs/dbraw/zinc/64/16/72/1065641672.db2.gz NUEUZVIDBQLVIN-SFHVURJKSA-N 1 3 317.477 2.288 20 0 DEADHO Cc1ccc(C[N@H+](C)CCN(C)C(=O)[C@@H]2CCCN2C)c(C)c1 ZINC001496679926 1065641677 /nfs/dbraw/zinc/64/16/77/1065641677.db2.gz NUEUZVIDBQLVIN-SFHVURJKSA-N 1 3 317.477 2.288 20 0 DEADHO CC(C)CCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001496866013 1065764620 /nfs/dbraw/zinc/76/46/20/1065764620.db2.gz ZWRQABPLKKIKDN-DOTOQJQBSA-N 1 3 318.465 2.311 20 0 DEADHO CC(C)CCC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001496866013 1065764630 /nfs/dbraw/zinc/76/46/30/1065764630.db2.gz ZWRQABPLKKIKDN-DOTOQJQBSA-N 1 3 318.465 2.311 20 0 DEADHO CCCCC[NH+]1CCC2(CN(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001570056449 1065905004 /nfs/dbraw/zinc/90/50/04/1065905004.db2.gz QGFQRWPVZYGZMY-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO CCN(CCNC/C=C\Cl)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001497403725 1066074672 /nfs/dbraw/zinc/07/46/72/1066074672.db2.gz MYHYISYBWORLCS-VYLZPFMQSA-N 1 3 301.862 2.051 20 0 DEADHO CCN(CCNC/C=C\Cl)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001497403725 1066074684 /nfs/dbraw/zinc/07/46/84/1066074684.db2.gz MYHYISYBWORLCS-VYLZPFMQSA-N 1 3 301.862 2.051 20 0 DEADHO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CN2CC[C@@H]([NH3+])C2)CC1 ZINC001575225804 1066227049 /nfs/dbraw/zinc/22/70/49/1066227049.db2.gz INMOSSFUXBSTEM-RBSFLKMASA-N 1 3 311.470 2.351 20 0 DEADHO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CNC2)CC1 ZINC001575225495 1066227799 /nfs/dbraw/zinc/22/77/99/1066227799.db2.gz AZOPOLRRNGKOEH-HDJSIYSDSA-N 1 3 311.470 2.127 20 0 DEADHO CC(C)(C)O[C@@H]1C[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)[C@H]1n1cccn1 ZINC001575246200 1066235786 /nfs/dbraw/zinc/23/57/86/1066235786.db2.gz HRUPBZYRMLMHAG-ZVDSWSACSA-N 1 3 306.454 2.240 20 0 DEADHO CC(C)N(C)CC(=O)NC/C=C/C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001497763296 1066293349 /nfs/dbraw/zinc/29/33/49/1066293349.db2.gz LAZALBMTYKCKRC-NFAHFFEMSA-N 1 3 321.440 2.489 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H]2CCN2C2CCCC2)C1 ZINC001630196483 1078334953 /nfs/dbraw/zinc/33/49/53/1078334953.db2.gz HNNGSPXSQBEIBY-SOLBZPMBSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@H]2CCN2C2CCCC2)C1 ZINC001630196483 1078334957 /nfs/dbraw/zinc/33/49/57/1078334957.db2.gz HNNGSPXSQBEIBY-SOLBZPMBSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)C[C@H]([NH3+])CC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001575644424 1066387841 /nfs/dbraw/zinc/38/78/41/1066387841.db2.gz KRZADVMYPJSOKX-ROUUACIJSA-N 1 3 317.477 2.483 20 0 DEADHO C[C@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H](c1ccccc1)N(C)C ZINC001576219198 1066525611 /nfs/dbraw/zinc/52/56/11/1066525611.db2.gz YXFTZMPTIHVFPI-SVGFKBNWSA-N 1 3 303.450 2.312 20 0 DEADHO C[C@@H](C[N@H+](C)CC1CCCC1)NC(=O)C(C)(C)N1CCCC1 ZINC001498355271 1066651196 /nfs/dbraw/zinc/65/11/96/1066651196.db2.gz HYYSICFCGJAUKX-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](C[N@@H+](C)CC1CCCC1)NC(=O)C(C)(C)N1CCCC1 ZINC001498355271 1066651197 /nfs/dbraw/zinc/65/11/97/1066651197.db2.gz HYYSICFCGJAUKX-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]1CN(C(=O)CCCCC2CC[NH2+]CC2)CCN(C2CC2)C1 ZINC001576771023 1066685364 /nfs/dbraw/zinc/68/53/64/1066685364.db2.gz ZQOPGWIZOOEFSI-MRXNPFEDSA-N 1 3 321.509 2.489 20 0 DEADHO CN(CCC[NH2+]Cc1ccc(F)cc1)C(=O)[C@@H]1CCCCN1C ZINC001498598102 1066796514 /nfs/dbraw/zinc/79/65/14/1066796514.db2.gz UFFPLYMVBVOSBD-KRWDZBQOSA-N 1 3 321.440 2.248 20 0 DEADHO CC[C@@H]1CN(C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC[C@@H]1[NH3+] ZINC001577279590 1066806996 /nfs/dbraw/zinc/80/69/96/1066806996.db2.gz LEQNVEYHEVVOBH-KBXIAJHMSA-N 1 3 311.470 2.349 20 0 DEADHO CC[C@@H]1C[N@H+](C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC[C@@H]1N ZINC001577279590 1066807009 /nfs/dbraw/zinc/80/70/09/1066807009.db2.gz LEQNVEYHEVVOBH-KBXIAJHMSA-N 1 3 311.470 2.349 20 0 DEADHO CC[C@@H]1C[N@@H+](C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC[C@@H]1N ZINC001577279590 1066807021 /nfs/dbraw/zinc/80/70/21/1066807021.db2.gz LEQNVEYHEVVOBH-KBXIAJHMSA-N 1 3 311.470 2.349 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001577523730 1066867087 /nfs/dbraw/zinc/86/70/87/1066867087.db2.gz ABAYNNQJTIDEIL-FUHWJXTLSA-N 1 3 307.482 2.243 20 0 DEADHO CN(C)C(=O)OC[C@H]1CCCCN1Cc1ccc(C[NH3+])cc1 ZINC001578402928 1067085837 /nfs/dbraw/zinc/08/58/37/1067085837.db2.gz FAKGEEFXKBIIDP-MRXNPFEDSA-N 1 3 305.422 2.198 20 0 DEADHO CN1CC[C@H]([NH2+]C[C@@H](N)CC(F)F)[C@@H]1c1ccc(F)cc1 ZINC001578525325 1067123458 /nfs/dbraw/zinc/12/34/58/1067123458.db2.gz VVVHAQRBCLQAAV-YDHLFZDLSA-N 1 3 301.356 2.143 20 0 DEADHO CN1CC[C@H](NC[C@@H]([NH3+])CC(F)F)[C@@H]1c1ccc(F)cc1 ZINC001578525325 1067123462 /nfs/dbraw/zinc/12/34/62/1067123462.db2.gz VVVHAQRBCLQAAV-YDHLFZDLSA-N 1 3 301.356 2.143 20 0 DEADHO C[NH2+]Cc1ccccc1CNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC001578739634 1067158360 /nfs/dbraw/zinc/15/83/60/1067158360.db2.gz COCMZHFZROTTQF-MRXNPFEDSA-N 1 3 318.465 2.078 20 0 DEADHO COC(=O)[C@H](C)Oc1ccc(C[NH2+][C@H]2[C@@H](C)NCC[C@@H]2C)cc1 ZINC001578769464 1067167153 /nfs/dbraw/zinc/16/71/53/1067167153.db2.gz XXVDTLIXRUQEDS-QDEZUTFSSA-N 1 3 320.433 2.103 20 0 DEADHO COC(=O)C1=C(C)O[C@H](CN2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC001578783458 1067169767 /nfs/dbraw/zinc/16/97/67/1067169767.db2.gz MVERQIXWPJTANM-VYDXJSESSA-N 1 3 322.449 2.076 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001499430739 1067217863 /nfs/dbraw/zinc/21/78/63/1067217863.db2.gz PAXKOZHOKGVTST-ZDUSSCGKSA-N 1 3 306.454 2.181 20 0 DEADHO CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001267011840 1078498184 /nfs/dbraw/zinc/49/81/84/1078498184.db2.gz JIKIFLQKDPQKPE-MOEXGYKKSA-N 1 3 307.482 2.408 20 0 DEADHO COc1cccc(NC(=O)CC[NH2+][C@@H]2CCCC[C@@H]2CN)c1 ZINC001579280699 1067286364 /nfs/dbraw/zinc/28/63/64/1067286364.db2.gz NXYAGDFKXFDPNU-CZUORRHYSA-N 1 3 305.422 2.131 20 0 DEADHO COc1cccc(NC(=O)CCN[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC001579280699 1067286369 /nfs/dbraw/zinc/28/63/69/1067286369.db2.gz NXYAGDFKXFDPNU-CZUORRHYSA-N 1 3 305.422 2.131 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H]1CN[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 ZINC001579460701 1067347007 /nfs/dbraw/zinc/34/70/07/1067347007.db2.gz IRXPRTISNHPNBP-FSZRXZPDSA-N 1 3 323.481 2.364 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)[C@@H]1[NH2+]CC1(C)C ZINC001579737803 1067413896 /nfs/dbraw/zinc/41/38/96/1067413896.db2.gz PKGKHILLFOOBIA-PVAVHDDUSA-N 1 3 313.445 2.127 20 0 DEADHO Clc1ccc([C@H](CNC2CC[NH2+]CC2)n2cccn2)cc1 ZINC001579938014 1067457897 /nfs/dbraw/zinc/45/78/97/1067457897.db2.gz KVDMJAGJBRBISL-INIZCTEOSA-N 1 3 304.825 2.468 20 0 DEADHO Clc1ccc([C@H](C[NH2+]C2CCNCC2)n2cccn2)cc1 ZINC001579938014 1067457901 /nfs/dbraw/zinc/45/79/01/1067457901.db2.gz KVDMJAGJBRBISL-INIZCTEOSA-N 1 3 304.825 2.468 20 0 DEADHO [NH3+]C1(CCNC2(c3ccc(F)cc3)CCOCC2)CCOCC1 ZINC001580144489 1067509084 /nfs/dbraw/zinc/50/90/84/1067509084.db2.gz SEJOTDOVNPJIMQ-UHFFFAOYSA-N 1 3 322.424 2.319 20 0 DEADHO [NH3+]CC1(CN[C@H]2C[C@H](C(=O)OCc3ccccc3)C2)CCC1 ZINC001580243399 1067537305 /nfs/dbraw/zinc/53/73/05/1067537305.db2.gz FMNFDYVKUKZZMM-WKILWMFISA-N 1 3 302.418 2.227 20 0 DEADHO NCC1(C[NH2+][C@H]2C[C@H](C(=O)OCc3ccccc3)C2)CCC1 ZINC001580243399 1067537311 /nfs/dbraw/zinc/53/73/11/1067537311.db2.gz FMNFDYVKUKZZMM-WKILWMFISA-N 1 3 302.418 2.227 20 0 DEADHO O[C@H](C[NH2+]CCCN1CCCC1)COc1ccc(Cl)cc1 ZINC000058443519 1078793606 /nfs/dbraw/zinc/79/36/06/1078793606.db2.gz OZQZDIVPXLEFFB-OAHLLOKOSA-N 1 3 312.841 2.155 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCC(C)(C)C)C1 ZINC001272384861 1078843701 /nfs/dbraw/zinc/84/37/01/1078843701.db2.gz SPCKHEGVILNODG-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO CN(C[C@]1(O)CCC[NH2+]C1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001573870085 1069124185 /nfs/dbraw/zinc/12/41/85/1069124185.db2.gz LIFHLJYMSLCZGH-KURKYZTESA-N 1 3 322.424 2.092 20 0 DEADHO CN1CCC(N(Cc2ccccc2)C(=O)CCCC[NH3+])CC1 ZINC001573883351 1069125103 /nfs/dbraw/zinc/12/51/03/1069125103.db2.gz VIHJQYWTJMAXQB-UHFFFAOYSA-N 1 3 303.450 2.238 20 0 DEADHO CN(C)CCN1CC[C@@]2(CCC[N@H+](CC3CCCC3)CC2)C1=O ZINC001272500116 1078929989 /nfs/dbraw/zinc/92/99/89/1078929989.db2.gz RLBVUAKYZFTRJX-IBGZPJMESA-N 1 3 321.509 2.443 20 0 DEADHO CN(C)CCN1CC[C@@]2(CCC[N@@H+](CC3CCCC3)CC2)C1=O ZINC001272500116 1078929996 /nfs/dbraw/zinc/92/99/96/1078929996.db2.gz RLBVUAKYZFTRJX-IBGZPJMESA-N 1 3 321.509 2.443 20 0 DEADHO [NH3+]CC[C@@H]1CN(C(=O)[C@H]2CNCc3ccccc32)c2ccccc21 ZINC001548578305 1072695200 /nfs/dbraw/zinc/69/52/00/1072695200.db2.gz KBKIQIIQBVZWJY-QAPCUYQASA-N 1 3 321.424 2.353 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2C1CCCC1)N(C)C ZINC001272612293 1079009465 /nfs/dbraw/zinc/00/94/65/1079009465.db2.gz QIUMPCRSZXHGOF-YESZJQIVSA-N 1 3 307.482 2.190 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2C1CCCC1)N(C)C ZINC001272612293 1079009472 /nfs/dbraw/zinc/00/94/72/1079009472.db2.gz QIUMPCRSZXHGOF-YESZJQIVSA-N 1 3 307.482 2.190 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2C[C@@H]3CCC[C@@]3(C[NH3+])C2)c1 ZINC001549523894 1073186028 /nfs/dbraw/zinc/18/60/28/1073186028.db2.gz SRRXWCADVHVSJP-MAUKXSAKSA-N 1 3 316.449 2.341 20 0 DEADHO CCC1([NH+]2CCC2)CCN(C(=O)C2(N)CC3(CCC3)C2)CC1 ZINC001550228415 1073519471 /nfs/dbraw/zinc/51/94/71/1073519471.db2.gz JEDGPCRYWBEZFS-UHFFFAOYSA-N 1 3 305.466 2.125 20 0 DEADHO C[C@H](NC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1)c1ccc(F)cc1 ZINC001483790123 1079122987 /nfs/dbraw/zinc/12/29/87/1079122987.db2.gz BZLSGSVXAWROJW-DZGCQCFKSA-N 1 3 319.424 2.077 20 0 DEADHO C[C@H](NC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)c1ccc(F)cc1 ZINC001483790123 1079122990 /nfs/dbraw/zinc/12/29/90/1079122990.db2.gz BZLSGSVXAWROJW-DZGCQCFKSA-N 1 3 319.424 2.077 20 0 DEADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCN(C2CCC2)C1 ZINC001550366525 1073617458 /nfs/dbraw/zinc/61/74/58/1073617458.db2.gz NTYFYDCLNKAPQA-SZMVWBNQSA-N 1 3 319.493 2.336 20 0 DEADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CCN(C2CCC2)C1 ZINC001550366525 1073617462 /nfs/dbraw/zinc/61/74/62/1073617462.db2.gz NTYFYDCLNKAPQA-SZMVWBNQSA-N 1 3 319.493 2.336 20 0 DEADHO Cc1cc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@@H]2O)c(C)o1 ZINC001550422143 1073646890 /nfs/dbraw/zinc/64/68/90/1073646890.db2.gz NPGJCLIKOWFSQW-OWSLCNJRSA-N 1 3 306.450 2.466 20 0 DEADHO Cc1cc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@@H]2O)c(C)o1 ZINC001550422143 1073646894 /nfs/dbraw/zinc/64/68/94/1073646894.db2.gz NPGJCLIKOWFSQW-OWSLCNJRSA-N 1 3 306.450 2.466 20 0 DEADHO Cc1c(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)ccnc1F ZINC001550666108 1073783939 /nfs/dbraw/zinc/78/39/39/1073783939.db2.gz PTSHRENLIOYTFA-CBZIJGRNSA-N 1 3 321.440 2.098 20 0 DEADHO Cc1c(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)ccnc1F ZINC001550666108 1073783944 /nfs/dbraw/zinc/78/39/44/1073783944.db2.gz PTSHRENLIOYTFA-CBZIJGRNSA-N 1 3 321.440 2.098 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001551328238 1074172827 /nfs/dbraw/zinc/17/28/27/1074172827.db2.gz MBRSYYDNXBKVDW-VVLHAWIVSA-N 1 3 307.482 2.050 20 0 DEADHO C[NH+](C)[C@@H]1C[C@H](NC[C@H](O)CC[C@@H](O)c2ccccc2)C1(C)C ZINC001646531860 1074473175 /nfs/dbraw/zinc/47/31/75/1074473175.db2.gz AMBLIHAMFVQAAG-ZJPYXAASSA-N 1 3 320.477 2.179 20 0 DEADHO CC(C)C[NH2+]CC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC001649856914 1079268343 /nfs/dbraw/zinc/26/83/43/1079268343.db2.gz WRDRGZNCDPHEMA-KRWDZBQOSA-N 1 3 303.450 2.185 20 0 DEADHO CN(C(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1)[C@@H]1CCN(C)C1 ZINC001552304093 1074533439 /nfs/dbraw/zinc/53/34/39/1074533439.db2.gz SNIOABYHBDBHNX-ZWKOTPCHSA-N 1 3 315.461 2.272 20 0 DEADHO CN(C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)[C@@H]1CCN(C)C1 ZINC001552304093 1074533442 /nfs/dbraw/zinc/53/34/42/1074533442.db2.gz SNIOABYHBDBHNX-ZWKOTPCHSA-N 1 3 315.461 2.272 20 0 DEADHO FC(F)CN1CCC([NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC001649883762 1079284553 /nfs/dbraw/zinc/28/45/53/1079284553.db2.gz PUQRCKKJVKOVHS-OAHLLOKOSA-N 1 3 315.452 2.428 20 0 DEADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)[C@H]1CCCC[NH2+]C1 ZINC001552415607 1074571622 /nfs/dbraw/zinc/57/16/22/1074571622.db2.gz FGZXVYDQOFOELS-ZWKOTPCHSA-N 1 3 315.461 2.329 20 0 DEADHO [NH3+]C1CC(CC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC001646736598 1074586384 /nfs/dbraw/zinc/58/63/84/1074586384.db2.gz IXIPKYBFLJUJQL-RUXDESIVSA-N 1 3 307.463 2.129 20 0 DEADHO C[C@@H]1C[C@H](C(=O)N(CCN(C)C)Cc2cccc(F)c2)CC[NH2+]1 ZINC001646746556 1074595247 /nfs/dbraw/zinc/59/52/47/1074595247.db2.gz BCMBARRODFSJGV-GDBMZVCRSA-N 1 3 321.440 2.104 20 0 DEADHO CCC(=O)N1CC[C@H]([NH2+]Cc2cc3c(s2)CCNC3)[C@H](C)C1 ZINC001552769947 1074652399 /nfs/dbraw/zinc/65/23/99/1074652399.db2.gz FWGRRFCJEFZSIY-DOMZBBRYSA-N 1 3 321.490 2.130 20 0 DEADHO CC(C)c1nnc2n1C[C@H](N[C@@H]1[C@@H]3CCC[NH2+][C@H]3C1(C)C)CC2 ZINC001553023914 1074739673 /nfs/dbraw/zinc/73/96/73/1074739673.db2.gz SWVPAYAXMLBMDP-RRCSTGOVSA-N 1 3 317.481 2.083 20 0 DEADHO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H]1[C@@H]3CCCN[C@H]3C1(C)C)CC2 ZINC001553023914 1074739679 /nfs/dbraw/zinc/73/96/79/1074739679.db2.gz SWVPAYAXMLBMDP-RRCSTGOVSA-N 1 3 317.481 2.083 20 0 DEADHO C[NH2+][C@@H](C)CCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC001647229442 1074850110 /nfs/dbraw/zinc/85/01/10/1074850110.db2.gz OEUWRGYPSYVRTI-UONOGXRCSA-N 1 3 324.494 2.182 20 0 DEADHO C[C@H]([NH2+]C[C@@H](O)CCC1(O)CCC1)[C@H]1CCCN(C2CCC2)C1 ZINC001647452725 1074931980 /nfs/dbraw/zinc/93/19/80/1074931980.db2.gz ZNFMDPHLYXYJDH-BQFCYCMXSA-N 1 3 324.509 2.285 20 0 DEADHO CCOc1ccc(Cl)cc1CNCCOCC[NH+](C)C ZINC001560448071 1075140473 /nfs/dbraw/zinc/14/04/73/1075140473.db2.gz QQOCJGRKTXGYOH-UHFFFAOYSA-N 1 3 300.830 2.407 20 0 DEADHO CC(C)=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001566877704 1075372389 /nfs/dbraw/zinc/37/23/89/1075372389.db2.gz DFRKFECDKOJBQZ-IAGOWNOFSA-N 1 3 309.498 2.367 20 0 DEADHO CC(C)=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001566877704 1075372394 /nfs/dbraw/zinc/37/23/94/1075372394.db2.gz DFRKFECDKOJBQZ-IAGOWNOFSA-N 1 3 309.498 2.367 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]C/C=C\Cl)C1 ZINC001567154478 1075447262 /nfs/dbraw/zinc/44/72/62/1075447262.db2.gz FLHBALZGAKVJEE-DNWYELSFSA-N 1 3 313.873 2.051 20 0 DEADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC001580651981 1075969252 /nfs/dbraw/zinc/96/92/52/1075969252.db2.gz PMNBQOVLCDSFGW-DKIMLUQUSA-N 1 3 319.493 2.430 20 0 DEADHO O=C(c1ccc2c(c1)CNC2)N1CCCN(c2cc[nH+]cc2)CC1 ZINC001580822114 1076003758 /nfs/dbraw/zinc/00/37/58/1076003758.db2.gz MDTDGNUNWJPJTK-UHFFFAOYSA-N 1 3 322.412 2.037 20 0 DEADHO O[C@@H](CN1CCC[C@@H]1c1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001580877897 1076011445 /nfs/dbraw/zinc/01/14/45/1076011445.db2.gz GKPCEUMCNBQCDR-SJORKVTESA-N 1 3 310.388 2.462 20 0 DEADHO C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589965586 1076538108 /nfs/dbraw/zinc/53/81/08/1076538108.db2.gz KWYSJLMWKLEDPP-IHRRRGAJSA-N 1 3 314.437 2.282 20 0 DEADHO C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589965586 1076538117 /nfs/dbraw/zinc/53/81/17/1076538117.db2.gz KWYSJLMWKLEDPP-IHRRRGAJSA-N 1 3 314.437 2.282 20 0 DEADHO C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cccc(-c2nnn[n-]2)c1 ZINC001609123833 1077766469 /nfs/dbraw/zinc/76/64/69/1077766469.db2.gz QGAXSSUDAQZIHS-DOMZBBRYSA-N 1 3 300.410 2.050 20 0 DEADHO C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cccc(-c2nn[n-]n2)c1 ZINC001609123833 1077766470 /nfs/dbraw/zinc/76/64/70/1077766470.db2.gz QGAXSSUDAQZIHS-DOMZBBRYSA-N 1 3 300.410 2.050 20 0 DEADHO CC[NH+](CC)CC[C@H](C)NC(=O)NC[C@H]1CCN1C(C)(C)C ZINC001650354178 1079554687 /nfs/dbraw/zinc/55/46/87/1079554687.db2.gz COGQIKFKPBIBAE-LSDHHAIUSA-N 1 3 312.502 2.279 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001267953816 1079634149 /nfs/dbraw/zinc/63/41/49/1079634149.db2.gz SZLCAESVSRJOAD-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO O=C(CN1CCCC1)N1CC[C@@H](CC[NH2+]CC2CCCC2)C1 ZINC001484548988 1079655587 /nfs/dbraw/zinc/65/55/87/1079655587.db2.gz FWZVIDWHYFBFRF-QGZVFWFLSA-N 1 3 307.482 2.101 20 0 DEADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)C[NH2+]C/C=C\Cl ZINC001268015012 1079696995 /nfs/dbraw/zinc/69/69/95/1079696995.db2.gz FAOILCBXCRFGDD-BMWLXYDHSA-N 1 3 323.868 2.456 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCCC2CCC2)C[C@H]1C ZINC001284024949 1079711295 /nfs/dbraw/zinc/71/12/95/1079711295.db2.gz GAVHPIUPMAXZIA-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO CCCCC[NH2+][C@@H](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001481339708 1079734639 /nfs/dbraw/zinc/73/46/39/1079734639.db2.gz KUMCFOQXSUJEPQ-AWEZNQCLSA-N 1 3 306.454 2.359 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCCN(C[C@@H](F)CC)CC1 ZINC001484725739 1079748791 /nfs/dbraw/zinc/74/87/91/1079748791.db2.gz FFSOYRGWTKBSAR-JKSUJKDBSA-N 1 3 315.477 2.437 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(C[C@@H](F)CC)CC1 ZINC001484725739 1079748799 /nfs/dbraw/zinc/74/87/99/1079748799.db2.gz FFSOYRGWTKBSAR-JKSUJKDBSA-N 1 3 315.477 2.437 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC2=CCCCC2)[C@@H](C)C1 ZINC001484906267 1079853070 /nfs/dbraw/zinc/85/30/70/1079853070.db2.gz QFCLMZKAYATZAD-RDJZCZTQSA-N 1 3 307.482 2.265 20 0 DEADHO CN(C)CC(C)(C)C[NH2+]Cc1cn(C)nc1-c1cccnc1 ZINC000067182568 1079876144 /nfs/dbraw/zinc/87/61/44/1079876144.db2.gz QJPUQJVXGCYANB-UHFFFAOYSA-N 1 3 301.438 2.160 20 0 DEADHO C[C@H](C[NH2+]C/C=C/c1ccccc1)N(C)C(=O)[C@H]1CCCN1C ZINC001268053053 1079975440 /nfs/dbraw/zinc/97/54/40/1079975440.db2.gz CCEHNCHVSJBLKX-RUZKMCDWSA-N 1 3 315.461 2.231 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CC=C(C)C)C1 ZINC001485110611 1079986664 /nfs/dbraw/zinc/98/66/64/1079986664.db2.gz PBABEUWOTBBMCX-JCYILVPMSA-N 1 3 307.482 2.311 20 0 DEADHO C[C@@H](C[NH2+]CCCC1CCC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001268068432 1080015822 /nfs/dbraw/zinc/01/58/22/1080015822.db2.gz LWCHLJOZMPUXTR-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CCCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001656084197 1080037248 /nfs/dbraw/zinc/03/72/48/1080037248.db2.gz DHSDUPDYSKYCDU-ULQDDVLXSA-N 1 3 309.498 2.440 20 0 DEADHO CCCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001656084197 1080037259 /nfs/dbraw/zinc/03/72/59/1080037259.db2.gz DHSDUPDYSKYCDU-ULQDDVLXSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)=CC[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001656150692 1080056127 /nfs/dbraw/zinc/05/61/27/1080056127.db2.gz RFYSTIKVQSDMEZ-IYBDPMFKSA-N 1 3 307.482 2.311 20 0 DEADHO CN(C)C1(C(=O)NCC2C[NH+](CCCC3CCC3)C2)CCC1 ZINC001481629754 1080161185 /nfs/dbraw/zinc/16/11/85/1080161185.db2.gz VFIAHHLSNCMARE-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO Cc1cc(F)ccc1CN(C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001485383821 1080188308 /nfs/dbraw/zinc/18/83/08/1080188308.db2.gz OMJCBOXFZBQLEU-HOCLYGCPSA-N 1 3 321.440 2.022 20 0 DEADHO Cc1cc(F)ccc1CN(C)[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001485383821 1080188313 /nfs/dbraw/zinc/18/83/13/1080188313.db2.gz OMJCBOXFZBQLEU-HOCLYGCPSA-N 1 3 321.440 2.022 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2[C@H](CC[N@H+]2CCCCCF)C1 ZINC001268269350 1080251024 /nfs/dbraw/zinc/25/10/24/1080251024.db2.gz UEVWBFVKXXTTSI-ZBFHGGJFSA-N 1 3 322.428 2.015 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2[C@H](CC[N@@H+]2CCCCCF)C1 ZINC001268269350 1080251030 /nfs/dbraw/zinc/25/10/30/1080251030.db2.gz UEVWBFVKXXTTSI-ZBFHGGJFSA-N 1 3 322.428 2.015 20 0 DEADHO C[NH+](C)CCCC(=O)N1C[C@@H]2C[C@H]1CN2CCCC1CCC1 ZINC001481678475 1080295320 /nfs/dbraw/zinc/29/53/20/1080295320.db2.gz UPHYOTFMLSYLMM-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001661655212 1080503803 /nfs/dbraw/zinc/50/38/03/1080503803.db2.gz ZBLUYBLTYDQTLK-JKIFEVAISA-N 1 3 313.461 2.236 20 0 DEADHO CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCC=C(Cl)Cl ZINC001481848683 1080542483 /nfs/dbraw/zinc/54/24/83/1080542483.db2.gz QAQIQULXDOTBLA-LBPRGKRZSA-N 1 3 322.280 2.132 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CC2CC(C)(C)C2)[C@H](C)C1 ZINC001107042444 1080556510 /nfs/dbraw/zinc/55/65/10/1080556510.db2.gz MSGBBNKAVSVBFW-NVXWUHKLSA-N 1 3 323.525 2.447 20 0 DEADHO CN(C(=O)C(C)(C)N1CCCC1)[C@@H](C[NH2+]CC1CC1)C1CC1 ZINC001485819767 1080568164 /nfs/dbraw/zinc/56/81/64/1080568164.db2.gz JNRUKECBIPRYAL-INIZCTEOSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001268493653 1080629981 /nfs/dbraw/zinc/62/99/81/1080629981.db2.gz XZGSLMBOCWZXJP-INIZCTEOSA-N 1 3 309.429 2.104 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H](CC[NH2+]C/C=C\Cl)C1)N(C)C ZINC001481984285 1080669805 /nfs/dbraw/zinc/66/98/05/1080669805.db2.gz OAUZCZYRUNNLGL-IIQYJXCPSA-N 1 3 315.889 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]([N@H+](C)CCCCCF)C1 ZINC001662877854 1080671597 /nfs/dbraw/zinc/67/15/97/1080671597.db2.gz IGEGZVNUTFNEEL-INIZCTEOSA-N 1 3 315.477 2.389 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]([N@@H+](C)CCCCCF)C1 ZINC001662877854 1080671601 /nfs/dbraw/zinc/67/16/01/1080671601.db2.gz IGEGZVNUTFNEEL-INIZCTEOSA-N 1 3 315.477 2.389 20 0 DEADHO CN(CC(=O)N(C)CC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)CC(C)(C)C ZINC001664186133 1080873098 /nfs/dbraw/zinc/87/30/98/1080873098.db2.gz KXWQUJHWPLEDKF-ZACQAIPSSA-N 1 3 323.525 2.449 20 0 DEADHO CC[C@H](C(=O)NC/C=C/C[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001268616351 1080891570 /nfs/dbraw/zinc/89/15/70/1080891570.db2.gz HXGRDWDOAIXTED-SQRWCISFSA-N 1 3 307.482 2.169 20 0 DEADHO CC[C@H](C(=O)NC/C=C/C[NH2+][C@H](C)c1ccccc1)N(C)C ZINC001268621163 1080898695 /nfs/dbraw/zinc/89/86/95/1080898695.db2.gz ZNLIZQAAWPJRAH-FKLRVFMWSA-N 1 3 303.450 2.350 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)[C@H]2CC[N@H+](CCCCCF)C2)C1 ZINC001665664520 1081059917 /nfs/dbraw/zinc/05/99/17/1081059917.db2.gz NSHGKLGCIBDFES-HOTGVXAUSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)[C@H]2CC[N@@H+](CCCCCF)C2)C1 ZINC001665664520 1081059923 /nfs/dbraw/zinc/05/99/23/1081059923.db2.gz NSHGKLGCIBDFES-HOTGVXAUSA-N 1 3 313.461 2.001 20 0 DEADHO CC(C)=CCN1CC[C@H](N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001665685861 1081062921 /nfs/dbraw/zinc/06/29/21/1081062921.db2.gz ALMXLNQXVHNJQS-KRWDZBQOSA-N 1 3 307.482 2.361 20 0 DEADHO C[NH+](C)CCC(=O)NCc1ccc(CNC/C=C\Cl)cc1 ZINC001666341288 1081145809 /nfs/dbraw/zinc/14/58/09/1081145809.db2.gz RSYYYXGUIZEDDL-OQFOIZHKSA-N 1 3 309.841 2.097 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1CC[NH2+]CCC1CC1 ZINC001667290364 1081233835 /nfs/dbraw/zinc/23/38/35/1081233835.db2.gz KEUFJOCDNJODNP-INIZCTEOSA-N 1 3 304.438 2.113 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001668105103 1081316135 /nfs/dbraw/zinc/31/61/35/1081316135.db2.gz BGWNCBWZQNNBGS-GOEBONIOSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(CC2CCCCCC2)CC1 ZINC000950509935 1081357767 /nfs/dbraw/zinc/35/77/67/1081357767.db2.gz KCNXPEUHLRCTDN-WMZOPIPTSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(CC2CCCCCC2)CC1 ZINC000950509935 1081357771 /nfs/dbraw/zinc/35/77/71/1081357771.db2.gz KCNXPEUHLRCTDN-WMZOPIPTSA-N 1 3 321.509 2.299 20 0 DEADHO CCN(C(=O)c1ccn2c[nH+]cc2c1)C1CN(CC2CCC2)C1 ZINC000950773394 1081412438 /nfs/dbraw/zinc/41/24/38/1081412438.db2.gz HKWWAKITYLPNSC-UHFFFAOYSA-N 1 3 312.417 2.281 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCC1CCCC1)N(C)C ZINC001270164907 1081464434 /nfs/dbraw/zinc/46/44/34/1081464434.db2.gz GJFDKHYZCCFRPJ-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CCC/C=C/CC[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001270189118 1081470453 /nfs/dbraw/zinc/47/04/53/1081470453.db2.gz YEHWKYJDHBYJBQ-LAQIPUCWSA-N 1 3 307.482 2.409 20 0 DEADHO CN(C)C1(C(=O)N[C@@H](C[NH2+]CCCF)C2CCCC2)CCC1 ZINC001671536241 1081522301 /nfs/dbraw/zinc/52/23/01/1081522301.db2.gz MPAYVOQRGMZQLD-HNNXBMFYSA-N 1 3 313.461 2.095 20 0 DEADHO O=C(CC12CCC[NH+]1CCC2)N1CC2(C1)CN(C1CCCC1)C2 ZINC001271260618 1082000755 /nfs/dbraw/zinc/00/07/55/1082000755.db2.gz SAKHIMBZXNHRLB-UHFFFAOYSA-N 1 3 317.477 2.092 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c(s2)CNCC3)C[C@@H]1C ZINC001648975564 1082278489 /nfs/dbraw/zinc/27/84/89/1082278489.db2.gz UCCJSBLJTDFMBF-JSGCOSHPSA-N 1 3 321.490 2.339 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc3c(s2)CNCC3)C[C@@H]1C ZINC001648975564 1082278495 /nfs/dbraw/zinc/27/84/95/1082278495.db2.gz UCCJSBLJTDFMBF-JSGCOSHPSA-N 1 3 321.490 2.339 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c(s2)CNCC3)C[C@H]1C ZINC001648975565 1082278848 /nfs/dbraw/zinc/27/88/48/1082278848.db2.gz UCCJSBLJTDFMBF-OCCSQVGLSA-N 1 3 321.490 2.339 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc3c(s2)CNCC3)C[C@H]1C ZINC001648975565 1082278852 /nfs/dbraw/zinc/27/88/52/1082278852.db2.gz UCCJSBLJTDFMBF-OCCSQVGLSA-N 1 3 321.490 2.339 20 0 DEADHO CN(CCNCc1ccsc1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001266730843 1082308647 /nfs/dbraw/zinc/30/86/47/1082308647.db2.gz IBYAHLRJTNHBEP-OAHLLOKOSA-N 1 3 309.479 2.171 20 0 DEADHO CN(CCNCc1ccsc1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001266730843 1082308657 /nfs/dbraw/zinc/30/86/57/1082308657.db2.gz IBYAHLRJTNHBEP-OAHLLOKOSA-N 1 3 309.479 2.171 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](C[NH2+]C/C=C/Cl)C1)N(C)C ZINC001266794438 1082348685 /nfs/dbraw/zinc/34/86/85/1082348685.db2.gz ZQFFBSDXYPHQGZ-ODYMAQSMSA-N 1 3 315.889 2.153 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H](C[NH2+]C/C=C/Cl)C1)N(C)C ZINC001266794439 1082348862 /nfs/dbraw/zinc/34/88/62/1082348862.db2.gz ZQFFBSDXYPHQGZ-OSZGCLPASA-N 1 3 315.889 2.153 20 0 DEADHO CN(C)C1(C(=O)NC/C=C/C[NH2+]Cc2ccc(F)cc2)CCC1 ZINC001483017193 1082626555 /nfs/dbraw/zinc/62/65/55/1082626555.db2.gz JAZGANUZZDUDRC-ONEGZZNKSA-N 1 3 319.424 2.072 20 0 DEADHO Cc1cc(C[NH2+]C[C@@H](C)NC(=O)C2(N(C)C)CCC2)c(C)s1 ZINC001483135530 1082768604 /nfs/dbraw/zinc/76/86/04/1082768604.db2.gz IEAUSMTVUANPOX-GFCCVEGCSA-N 1 3 323.506 2.444 20 0 DEADHO C[C@H](CNC/C=C\Cl)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001483152828 1082779131 /nfs/dbraw/zinc/77/91/31/1082779131.db2.gz DCNYEMYHHSCXEU-LBIZBFCRSA-N 1 3 315.889 2.488 20 0 DEADHO C[C@H](CNC/C=C\Cl)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001483152828 1082779134 /nfs/dbraw/zinc/77/91/34/1082779134.db2.gz DCNYEMYHHSCXEU-LBIZBFCRSA-N 1 3 315.889 2.488 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@H](C)c1ccc(F)cc1)N(C)C ZINC001483167790 1082787938 /nfs/dbraw/zinc/78/79/38/1082787938.db2.gz ZSKUEMIRBRCBSP-IOASZLSFSA-N 1 3 309.429 2.321 20 0 DEADHO C[C@@H](C[NH2+]CCC(F)(F)F)NC(=O)C(C)(C)N1CCCCC1 ZINC001483227773 1082829833 /nfs/dbraw/zinc/82/98/33/1082829833.db2.gz STCBYZWLUDACJE-LBPRGKRZSA-N 1 3 323.403 2.298 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CC1CC1 ZINC001409438145 1082891189 /nfs/dbraw/zinc/89/11/89/1082891189.db2.gz DQZDBNQROOPCMA-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](F)CC[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001409596932 1082973802 /nfs/dbraw/zinc/97/38/02/1082973802.db2.gz QKTKSJOCEDWABR-KGLIPLIRSA-N 1 3 301.450 2.045 20 0 DEADHO C[C@@H](F)CC[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001409596932 1082973808 /nfs/dbraw/zinc/97/38/08/1082973808.db2.gz QKTKSJOCEDWABR-KGLIPLIRSA-N 1 3 301.450 2.045 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[N@H+](C)CCc1cccs1 ZINC001409612510 1082982762 /nfs/dbraw/zinc/98/27/62/1082982762.db2.gz CIAPKCJDBGFIMJ-HUUCEWRRSA-N 1 3 323.506 2.069 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[N@@H+](C)CCc1cccs1 ZINC001409612510 1082982768 /nfs/dbraw/zinc/98/27/68/1082982768.db2.gz CIAPKCJDBGFIMJ-HUUCEWRRSA-N 1 3 323.506 2.069 20 0 DEADHO C[C@@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[N@H+](C)CC1CC1 ZINC001409616592 1082987881 /nfs/dbraw/zinc/98/78/81/1082987881.db2.gz KOEGMBYNLOXOCM-GUYCJALGSA-N 1 3 313.461 2.045 20 0 DEADHO C[C@@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[N@@H+](C)CC1CC1 ZINC001409616592 1082987884 /nfs/dbraw/zinc/98/78/84/1082987884.db2.gz KOEGMBYNLOXOCM-GUYCJALGSA-N 1 3 313.461 2.045 20 0 DEADHO C[C@@H](C[NH2+]CCCc1ccccc1)NC(=O)CN1CC[C@@H](C)C1 ZINC001483266485 1083064411 /nfs/dbraw/zinc/06/44/11/1083064411.db2.gz MMBCZYQQHSRHKT-SJORKVTESA-N 1 3 317.477 2.055 20 0 DEADHO CCc1cccc(C[NH2+]C[C@H](C)NC(=O)CN2CC[C@@H](C)C2)c1 ZINC001483266626 1083064514 /nfs/dbraw/zinc/06/45/14/1083064514.db2.gz QILWKHKZUORBJM-CVEARBPZSA-N 1 3 317.477 2.185 20 0 DEADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(C)C)CC2)N(C)C ZINC001107450091 1083403343 /nfs/dbraw/zinc/40/33/43/1083403343.db2.gz BTBQZRKRKOAKER-JFIYKMOQSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(C)C)CC2)N(C)C ZINC001107450091 1083403346 /nfs/dbraw/zinc/40/33/46/1083403346.db2.gz BTBQZRKRKOAKER-JFIYKMOQSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC1)CC2)N(C)C ZINC001107538311 1083469278 /nfs/dbraw/zinc/46/92/78/1083469278.db2.gz LTHIVGUHTZVEKK-ZHALLVOQSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC1)CC2)N(C)C ZINC001107538311 1083469282 /nfs/dbraw/zinc/46/92/82/1083469282.db2.gz LTHIVGUHTZVEKK-ZHALLVOQSA-N 1 3 321.509 2.343 20 0 DEADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC1)CC2 ZINC001107614678 1083520539 /nfs/dbraw/zinc/52/05/39/1083520539.db2.gz HEGOJIIWHKZHQV-SJLPKXTDSA-N 1 3 307.482 2.099 20 0 DEADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC1)CC2 ZINC001107614678 1083520546 /nfs/dbraw/zinc/52/05/46/1083520546.db2.gz HEGOJIIWHKZHQV-SJLPKXTDSA-N 1 3 307.482 2.099 20 0 DEADHO CN1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(-n3cncn3)c1)C2 ZINC001276818284 1083628526 /nfs/dbraw/zinc/62/85/26/1083628526.db2.gz VSHITPUXLVEMIC-GOSISDBHSA-N 1 3 311.433 2.185 20 0 DEADHO CN1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(-n3cncn3)c1)C2 ZINC001276818284 1083628532 /nfs/dbraw/zinc/62/85/32/1083628532.db2.gz VSHITPUXLVEMIC-GOSISDBHSA-N 1 3 311.433 2.185 20 0 DEADHO C[NH+](C)CCN1CC2(C1)CN(Cc1ccc3cccccc1-3)C2 ZINC001276852282 1083650234 /nfs/dbraw/zinc/65/02/34/1083650234.db2.gz MEJVPUCKFICSCK-UHFFFAOYSA-N 1 3 309.457 2.471 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]CCC2=CCCCC2)CC1)N(C)C ZINC001277224277 1083854032 /nfs/dbraw/zinc/85/40/32/1083854032.db2.gz GAKDWAXLUKXCNZ-INIZCTEOSA-N 1 3 307.482 2.456 20 0 DEADHO Cc1ncsc1CN1CCC2(CN(C3CC[NH+](C)CC3)C2)C1 ZINC001277625095 1084064940 /nfs/dbraw/zinc/06/49/40/1084064940.db2.gz PLLYFMAJZWAORL-UHFFFAOYSA-N 1 3 320.506 2.053 20 0 DEADHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(Cc1cncc(C3CC3)c1)C2 ZINC001277626988 1084066305 /nfs/dbraw/zinc/06/63/05/1084066305.db2.gz KBFVTRCFUURCMX-APWZRJJASA-N 1 3 314.477 2.027 20 0 DEADHO CCCN(C)CC(=O)N1CCC([NH2+]CC2CCCCC2)CC1 ZINC001203460476 1084128759 /nfs/dbraw/zinc/12/87/59/1084128759.db2.gz RAHUOVJBGHKQID-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CCCN(C)CC(=O)NC1CCC([NH2+]C[C@H](F)CC)CC1 ZINC001491371012 1084262564 /nfs/dbraw/zinc/26/25/64/1084262564.db2.gz KFZZZXXZYHMDFO-WLYUNCDWSA-N 1 3 301.450 2.093 20 0 DEADHO Cc1ccccc1C[NH2+][C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001491454978 1084324233 /nfs/dbraw/zinc/32/42/33/1084324233.db2.gz NGINDBNSIAIMDZ-SJLPKXTDSA-N 1 3 317.477 2.462 20 0 DEADHO Fc1ccc(CC2CC[NH+](CC[C@@H]3CNCCO3)CC2)cc1 ZINC001235864499 1084552416 /nfs/dbraw/zinc/55/24/16/1084552416.db2.gz RUUSPQOUDRWEQY-GOSISDBHSA-N 1 3 306.425 2.459 20 0 DEADHO COCCC[N@H+](Cc1cccc2c1CCN2)C1CCNCC1 ZINC001235939676 1084569110 /nfs/dbraw/zinc/56/91/10/1084569110.db2.gz GGMXJUMPOJJBGL-UHFFFAOYSA-N 1 3 303.450 2.245 20 0 DEADHO COCCC[N@@H+](Cc1cccc2c1CCN2)C1CCNCC1 ZINC001235939676 1084569118 /nfs/dbraw/zinc/56/91/18/1084569118.db2.gz GGMXJUMPOJJBGL-UHFFFAOYSA-N 1 3 303.450 2.245 20 0 DEADHO COCCCN(Cc1cccc2c1CCN2)C1CC[NH2+]CC1 ZINC001235939676 1084569125 /nfs/dbraw/zinc/56/91/25/1084569125.db2.gz GGMXJUMPOJJBGL-UHFFFAOYSA-N 1 3 303.450 2.245 20 0 DEADHO CCCCOc1cccc(CN2CCC[C@@H](N3CC([NH3+])C3)C2)c1 ZINC001236072223 1084602675 /nfs/dbraw/zinc/60/26/75/1084602675.db2.gz FNDUSEVHUJGOEP-GOSISDBHSA-N 1 3 317.477 2.473 20 0 DEADHO COc1ccc(CN2CCC[C@H](N3CC([NH3+])C3)C2)cc1C(C)C ZINC001236073805 1084604775 /nfs/dbraw/zinc/60/47/75/1084604775.db2.gz RHPGSPDIJCOMBG-KRWDZBQOSA-N 1 3 317.477 2.426 20 0 DEADHO CC(C)(C)Oc1ccc(CN2CCC[C@H](N3CC([NH3+])C3)C2)cc1 ZINC001236076448 1084606022 /nfs/dbraw/zinc/60/60/22/1084606022.db2.gz ABINRRVXRORVNJ-KRWDZBQOSA-N 1 3 317.477 2.471 20 0 DEADHO C[C@@H]1CNCC(F)(F)[C@@H]1C[N@@H+]1CCNC[C@@H]1c1cccs1 ZINC001236112411 1084614990 /nfs/dbraw/zinc/61/49/90/1084614990.db2.gz OUAFVTZSCCQBBK-JHJVBQTASA-N 1 3 315.433 2.185 20 0 DEADHO C[C@@H]1CNCC(F)(F)[C@@H]1C[N@H+]1CCNC[C@@H]1c1cccs1 ZINC001236112411 1084614995 /nfs/dbraw/zinc/61/49/95/1084614995.db2.gz OUAFVTZSCCQBBK-JHJVBQTASA-N 1 3 315.433 2.185 20 0 DEADHO CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001485923055 1084987082 /nfs/dbraw/zinc/98/70/82/1084987082.db2.gz WCRLHUQYWUDLAM-WMLDXEAASA-N 1 3 315.477 2.436 20 0 DEADHO CC[NH2+][C@H](CCNC(=O)CN1CC[C@H](C)C1)Cc1ccccc1 ZINC001486187733 1085116289 /nfs/dbraw/zinc/11/62/89/1085116289.db2.gz BSVMGMBSNNNSFP-FUHWJXTLSA-N 1 3 317.477 2.055 20 0 DEADHO CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961178264 1085626357 /nfs/dbraw/zinc/62/63/57/1085626357.db2.gz CIVVHHHENOEZGA-DLBZAZTESA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961178264 1085626363 /nfs/dbraw/zinc/62/63/63/1085626363.db2.gz CIVVHHHENOEZGA-DLBZAZTESA-N 1 3 321.509 2.441 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCC)C[C@H]21 ZINC000962272618 1086047037 /nfs/dbraw/zinc/04/70/37/1086047037.db2.gz PBAUIPGDFBGIMV-TWMKSMIVSA-N 1 3 307.482 2.097 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC)C[C@H]21 ZINC000962272618 1086047046 /nfs/dbraw/zinc/04/70/46/1086047046.db2.gz PBAUIPGDFBGIMV-TWMKSMIVSA-N 1 3 307.482 2.097 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+]C/C=C\c1ccccc1 ZINC001168747814 1086236797 /nfs/dbraw/zinc/23/67/97/1086236797.db2.gz PUVVKWDANOXKMM-WQLSENKSSA-N 1 3 303.450 2.138 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)CCNC/C(Cl)=C/Cl)[NH+](C)C ZINC001273131744 1086300570 /nfs/dbraw/zinc/30/05/70/1086300570.db2.gz WRFKTQCTSOZFGL-KCWVNHISSA-N 1 3 324.296 2.376 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C1C[NH+](C[C@@H](C)CC(C)C)C1 ZINC001409967674 1086336678 /nfs/dbraw/zinc/33/66/78/1086336678.db2.gz FHVVKMDQBWWQQH-UONOGXRCSA-N 1 3 320.481 2.379 20 0 DEADHO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963313640 1086403178 /nfs/dbraw/zinc/40/31/78/1086403178.db2.gz HFMSXVYWUVWANT-HOTGVXAUSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963313640 1086403183 /nfs/dbraw/zinc/40/31/83/1086403183.db2.gz HFMSXVYWUVWANT-HOTGVXAUSA-N 1 3 307.482 2.194 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1ccc(F)cc1C ZINC001168754712 1086466914 /nfs/dbraw/zinc/46/69/14/1086466914.db2.gz AFKYGWWZZLYKBJ-UHFFFAOYSA-N 1 3 309.429 2.072 20 0 DEADHO CC[NH2+]C1(CNC(=O)[C@@H](C2CC2)N2CCCC2)CCCCC1 ZINC001115648381 1086499604 /nfs/dbraw/zinc/49/96/04/1086499604.db2.gz NNTOXSNCNFWIOO-MRXNPFEDSA-N 1 3 307.482 2.289 20 0 DEADHO CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCN3C(C)C)C2)C1 ZINC000963789476 1086560058 /nfs/dbraw/zinc/56/00/58/1086560058.db2.gz ZOFNKMAOSBWPOK-LMBQMVEXSA-N 1 3 307.482 2.286 20 0 DEADHO CC[NH+]1CCC2(CCN(C(=O)CN3CCC[C@@H]3C)CC2)CC1 ZINC000957602858 1088450130 /nfs/dbraw/zinc/45/01/30/1088450130.db2.gz JAVMCILNYKMAOF-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001080036985 1088589631 /nfs/dbraw/zinc/58/96/31/1088589631.db2.gz ANJXKSLGUICAME-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO CCC(CC)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001080036985 1088589645 /nfs/dbraw/zinc/58/96/45/1088589645.db2.gz ANJXKSLGUICAME-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC3CCCC3)C[C@H]21)N(C)C ZINC001114849143 1089148401 /nfs/dbraw/zinc/14/84/01/1089148401.db2.gz LHKRBGHIBMIAQF-XWTMOSNGSA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC3CCCC3)C[C@H]21)N(C)C ZINC001114849143 1089148413 /nfs/dbraw/zinc/14/84/13/1089148413.db2.gz LHKRBGHIBMIAQF-XWTMOSNGSA-N 1 3 321.509 2.343 20 0 DEADHO CC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1ccccc1 ZINC001081125670 1089350182 /nfs/dbraw/zinc/35/01/82/1089350182.db2.gz MCRCJEHMEXCOBZ-DLBZAZTESA-N 1 3 315.461 2.075 20 0 DEADHO C[NH2+]C[C@@H](C)C(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1 ZINC000719958604 1089419834 /nfs/dbraw/zinc/41/98/34/1089419834.db2.gz KYNGBJUJEFBVMK-SJLPKXTDSA-N 1 3 317.477 2.355 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC001412919769 1089664093 /nfs/dbraw/zinc/66/40/93/1089664093.db2.gz WVBZBMIJFVVQQR-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC001412919769 1089664107 /nfs/dbraw/zinc/66/41/07/1089664107.db2.gz WVBZBMIJFVVQQR-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC000959850994 1089792223 /nfs/dbraw/zinc/79/22/23/1089792223.db2.gz QKFFQCNNWIAOKV-TWMKSMIVSA-N 1 3 321.509 2.342 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC000959850994 1089792242 /nfs/dbraw/zinc/79/22/42/1089792242.db2.gz QKFFQCNNWIAOKV-TWMKSMIVSA-N 1 3 321.509 2.342 20 0 DEADHO CC1(C)CCN(CC(=O)N2CCCC[C@H]2C[NH2+]CC2CCC2)C1 ZINC000960132252 1089977529 /nfs/dbraw/zinc/97/75/29/1089977529.db2.gz VAFWWXIMNFCVFH-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001082589095 1090012268 /nfs/dbraw/zinc/01/22/68/1090012268.db2.gz ICKWPCBBJLAVFR-KBRIMQKVSA-N 1 3 321.440 2.102 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCC2)C1)N(C)C ZINC001082724713 1090060717 /nfs/dbraw/zinc/06/07/17/1090060717.db2.gz CURMFCOHGLWJEX-DJIMGWMZSA-N 1 3 309.498 2.199 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]Cc1ccccc1 ZINC001082740613 1090066912 /nfs/dbraw/zinc/06/69/12/1090066912.db2.gz ACIZNBQVZSYPBS-JFIYKMOQSA-N 1 3 315.461 2.107 20 0 DEADHO CCN1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346718 1090273613 /nfs/dbraw/zinc/27/36/13/1090273613.db2.gz YADWPFJEVDVSCS-JFIYKMOQSA-N 1 3 319.493 2.194 20 0 DEADHO CCN1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346718 1090273621 /nfs/dbraw/zinc/27/36/21/1090273621.db2.gz YADWPFJEVDVSCS-JFIYKMOQSA-N 1 3 319.493 2.194 20 0 DEADHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001410403268 1090620695 /nfs/dbraw/zinc/62/06/95/1090620695.db2.gz ZNDKOTSIWMNBIW-RHSMWYFYSA-N 1 3 323.456 2.411 20 0 DEADHO CCC(CC)C[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001410865698 1091176429 /nfs/dbraw/zinc/17/64/29/1091176429.db2.gz OBRZMEHXFOQSDU-HOCLYGCPSA-N 1 3 309.498 2.486 20 0 DEADHO CC1CC[NH+](CC[C@@H]2CCCN2C(=O)[C@H]2CCCN2C)CC1 ZINC001412459749 1091425974 /nfs/dbraw/zinc/42/59/74/1091425974.db2.gz KIGHTLRLANTZRU-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)=CC[NH2+]C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001275032289 1091522346 /nfs/dbraw/zinc/52/23/46/1091522346.db2.gz YQGSOHYWCVJERP-SJORKVTESA-N 1 3 307.482 2.265 20 0 DEADHO CCCC[C@H](CC)C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C)CC3)[C@H]2C1 ZINC001275044706 1091525484 /nfs/dbraw/zinc/52/54/84/1091525484.db2.gz FDRLYAOBMJPGJS-ULQDDVLXSA-N 1 3 321.509 2.345 20 0 DEADHO CCCC[C@H](CC)C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C)CC3)[C@H]2C1 ZINC001275044706 1091525494 /nfs/dbraw/zinc/52/54/94/1091525494.db2.gz FDRLYAOBMJPGJS-ULQDDVLXSA-N 1 3 321.509 2.345 20 0 DEADHO c1cn(CC[NH2+][C@@]23CC[C@@](NCc4cc[nH]c4)(C2)CCC3)cn1 ZINC001276101816 1091552102 /nfs/dbraw/zinc/55/21/02/1091552102.db2.gz MFDHXZRPQBBYJL-ZWKOTPCHSA-N 1 3 313.449 2.436 20 0 DEADHO c1cn(CCN2CCC3(C[NH+](CCc4ccccc4)C3)C2)cn1 ZINC001275090974 1091553980 /nfs/dbraw/zinc/55/39/80/1091553980.db2.gz USNZGIKEONXQTH-UHFFFAOYSA-N 1 3 310.445 2.134 20 0 DEADHO COc1cc(CN2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)ccc1F ZINC001276188061 1091672299 /nfs/dbraw/zinc/67/22/99/1091672299.db2.gz XZVULBBNVVUVRE-IRXDYDNUSA-N 1 3 321.440 2.045 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)CCC[NH2+]CC2CCCCC2)C1 ZINC001276226592 1091718251 /nfs/dbraw/zinc/71/82/51/1091718251.db2.gz HHVUYLUKSMWHPL-INIZCTEOSA-N 1 3 309.498 2.347 20 0 DEADHO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2Cc1ccc2[nH]ccc2c1 ZINC001276244550 1091733955 /nfs/dbraw/zinc/73/39/55/1091733955.db2.gz XQWRLFCXVSLCNV-HDICACEKSA-N 1 3 312.461 2.378 20 0 DEADHO CN(C)CCN1CC[C@]2(CC[N@H+](CC3CCCCC3)C2)C1=O ZINC001273509233 1091890926 /nfs/dbraw/zinc/89/09/26/1091890926.db2.gz MLLSMJZKHARTEY-SFHVURJKSA-N 1 3 307.482 2.053 20 0 DEADHO CN(C)CCN1CC[C@]2(CC[N@@H+](CC3CCCCC3)C2)C1=O ZINC001273509233 1091890939 /nfs/dbraw/zinc/89/09/39/1091890939.db2.gz MLLSMJZKHARTEY-SFHVURJKSA-N 1 3 307.482 2.053 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000948766018 1091923443 /nfs/dbraw/zinc/92/34/43/1091923443.db2.gz GIQZKSFVEOGRFP-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](N(C)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000948766018 1091923449 /nfs/dbraw/zinc/92/34/49/1091923449.db2.gz GIQZKSFVEOGRFP-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO C[N@H+]1CC[C@H]2CN(Cc3ccnn3[C@@H]3CCCCO3)C[C@H]2CC1 ZINC001275647799 1091940429 /nfs/dbraw/zinc/94/04/29/1091940429.db2.gz YAHFCWACBRQECV-JZXOWHBKSA-N 1 3 318.465 2.356 20 0 DEADHO C[N@@H+]1CC[C@H]2CN(Cc3ccnn3[C@@H]3CCCCO3)C[C@H]2CC1 ZINC001275647799 1091940437 /nfs/dbraw/zinc/94/04/37/1091940437.db2.gz YAHFCWACBRQECV-JZXOWHBKSA-N 1 3 318.465 2.356 20 0 DEADHO CCC[NH2+]CCN(CC)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001273611166 1091954523 /nfs/dbraw/zinc/95/45/23/1091954523.db2.gz UVLKHBIIKFXLOD-INIZCTEOSA-N 1 3 301.450 2.047 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)N(CCN(C)C)C2CCCC2)C1 ZINC001411752936 1092075655 /nfs/dbraw/zinc/07/56/55/1092075655.db2.gz URYUFVIZZNHVGH-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)N(CCN(C)C)C2CCCC2)C1 ZINC001411752936 1092075662 /nfs/dbraw/zinc/07/56/62/1092075662.db2.gz URYUFVIZZNHVGH-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO COc1cc(C)cc(CN2CC3(C2)CCN(CC[NH+](C)C)C3)c1 ZINC001275808339 1092164042 /nfs/dbraw/zinc/16/40/42/1092164042.db2.gz OKDAPEHXGAWUHZ-UHFFFAOYSA-N 1 3 317.477 2.073 20 0 DEADHO C(CN1CCC2(CC[N@@H+](C3CCCC3)C2)CC1)N1CCOCC1 ZINC001275990327 1092455156 /nfs/dbraw/zinc/45/51/56/1092455156.db2.gz HPWVEZPLUUNUQL-UHFFFAOYSA-N 1 3 321.509 2.049 20 0 DEADHO C(CN1CCC2(CC[N@H+](C3CCCC3)C2)CC1)N1CCOCC1 ZINC001275990327 1092455160 /nfs/dbraw/zinc/45/51/60/1092455160.db2.gz HPWVEZPLUUNUQL-UHFFFAOYSA-N 1 3 321.509 2.049 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1CCCN1C ZINC001273909523 1092500087 /nfs/dbraw/zinc/50/00/87/1092500087.db2.gz HOKGCQIFGIWZRH-PRVDXRAFSA-N 1 3 315.461 2.412 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[N@H+](C)CC[C@@H](C)F ZINC001489330297 1093023335 /nfs/dbraw/zinc/02/33/35/1093023335.db2.gz IXJGFQLAUSGIHL-CVEARBPZSA-N 1 3 315.477 2.389 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[N@@H+](C)CC[C@@H](C)F ZINC001489330297 1093023339 /nfs/dbraw/zinc/02/33/39/1093023339.db2.gz IXJGFQLAUSGIHL-CVEARBPZSA-N 1 3 315.477 2.389 20 0 DEADHO c1c[nH]c(CN2CC[C@]3(C2)CCC[N@@H+](CCN2CCCC2)C3)c1 ZINC001278060483 1138513556 /nfs/dbraw/zinc/51/35/56/1138513556.db2.gz UJDJHGYANLPLOU-LJQANCHMSA-N 1 3 316.493 2.398 20 0 DEADHO c1c[nH]c(CN2CC[C@]3(C2)CCC[N@H+](CCN2CCCC2)C3)c1 ZINC001278060483 1138513557 /nfs/dbraw/zinc/51/35/57/1138513557.db2.gz UJDJHGYANLPLOU-LJQANCHMSA-N 1 3 316.493 2.398 20 0 DEADHO C[C@@H]1[C@H]([NH2+]CCCCCF)CCN1C(=O)CN(C)C1CCC1 ZINC001278263476 1138864313 /nfs/dbraw/zinc/86/43/13/1138864313.db2.gz JDWDGMUGEBVHPY-GDBMZVCRSA-N 1 3 313.461 2.190 20 0 DEADHO CC[NH+](CC)CCn1cc(-c2cccc(CN(C)C)n2)cn1 ZINC001239203025 1138976554 /nfs/dbraw/zinc/97/65/54/1138976554.db2.gz NGMBPDONLUCWKF-UHFFFAOYSA-N 1 3 301.438 2.349 20 0 DEADHO CN(C)Cc1cccc(-c2cccc(CN3CC[NH2+]CC3)c2)n1 ZINC001240238744 1139305360 /nfs/dbraw/zinc/30/53/60/1139305360.db2.gz WYMJNRBGHUBYOP-UHFFFAOYSA-N 1 3 310.445 2.215 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H](CC[NH2+]CCC2CC2)C1 ZINC001318861694 1140442964 /nfs/dbraw/zinc/44/29/64/1140442964.db2.gz UJCRHWFGPSEVKL-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](C[NH2+]CCCc1ccsc1)N(C)C(=O)[C@@H]1CCCN1C ZINC001319435589 1140574739 /nfs/dbraw/zinc/57/47/39/1140574739.db2.gz DEHQQWBUGAQPEI-HOCLYGCPSA-N 1 3 323.506 2.211 20 0 DEADHO CC(C)=CCN(C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001320016110 1140812882 /nfs/dbraw/zinc/81/28/82/1140812882.db2.gz HZRNIKOLYCWXDL-KRWDZBQOSA-N 1 3 309.498 2.463 20 0 DEADHO CC(C)=CCN(C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001320016110 1140812883 /nfs/dbraw/zinc/81/28/83/1140812883.db2.gz HZRNIKOLYCWXDL-KRWDZBQOSA-N 1 3 309.498 2.463 20 0 DEADHO F[C@@H]1CNCC[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001246084532 1140858289 /nfs/dbraw/zinc/85/82/89/1140858289.db2.gz FQTXWTURERSQFB-RHQZKXFESA-N 1 3 317.452 2.472 20 0 DEADHO F[C@@H]1CNCC[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246084532 1140858290 /nfs/dbraw/zinc/85/82/90/1140858290.db2.gz FQTXWTURERSQFB-RHQZKXFESA-N 1 3 317.452 2.472 20 0 DEADHO C[C@@H]1CC[C@H](CN[C@@H]2CCN(Cc3ccccc3)C(=O)C2)C[NH2+]1 ZINC001246090392 1140859336 /nfs/dbraw/zinc/85/93/36/1140859336.db2.gz FZWTTYUSMGINNH-BPQIPLTHSA-N 1 3 315.461 2.155 20 0 DEADHO Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H](F)CN2)CCN1 ZINC001246089340 1140859786 /nfs/dbraw/zinc/85/97/86/1140859786.db2.gz CXGHQTXKFBKKMF-IVSAIRAKSA-N 1 3 309.404 2.217 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H](CN[C@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001246096227 1140860702 /nfs/dbraw/zinc/86/07/02/1140860702.db2.gz DOGJYQUJNNWWNS-JQHSSLGASA-N 1 3 315.461 2.013 20 0 DEADHO CC(C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1[C@H]2CNC[C@@H]1COC2 ZINC001246144905 1140865991 /nfs/dbraw/zinc/86/59/91/1140865991.db2.gz BWMKPJAMPHNIMJ-HCXYKTFWSA-N 1 3 302.462 2.468 20 0 DEADHO COc1ccccc1C1(C[NH2+]C2CCNCC2)CCOCC1 ZINC001246269007 1140880141 /nfs/dbraw/zinc/88/01/41/1140880141.db2.gz KMKSHVJZLCDVDN-UHFFFAOYSA-N 1 3 304.434 2.085 20 0 DEADHO Cc1ccc(F)c(CN2CCC(N[C@H]3CCC[NH2+]C3)CC2)c1 ZINC001246358842 1140887951 /nfs/dbraw/zinc/88/79/51/1140887951.db2.gz JXWBUMZZOKOCRM-KRWDZBQOSA-N 1 3 305.441 2.440 20 0 DEADHO COc1ccc(F)cc1CN1CCC([NH2+]C2CCNCC2)CC1 ZINC001246360850 1140888210 /nfs/dbraw/zinc/88/82/10/1140888210.db2.gz UMQNIFULDMHMFH-UHFFFAOYSA-N 1 3 321.440 2.140 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)CC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001320642821 1140888799 /nfs/dbraw/zinc/88/87/99/1140888799.db2.gz BESMDPSUEVTYLB-KBPBESRZSA-N 1 3 319.440 2.246 20 0 DEADHO CCN(CC[NH2+]Cc1cc(C)ccc1C)C(=O)[C@@H]1CCCN1C ZINC001320694097 1140895261 /nfs/dbraw/zinc/89/52/61/1140895261.db2.gz BBQVLCRJMAGEEU-SFHVURJKSA-N 1 3 317.477 2.336 20 0 DEADHO c1cncc(CC2(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCOCC2)c1 ZINC001246410783 1140895498 /nfs/dbraw/zinc/89/54/98/1140895498.db2.gz MDLBVIBPDAYYBL-SJPCQFCGSA-N 1 3 301.434 2.046 20 0 DEADHO Fc1cccnc1C1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCOCC1 ZINC001246437404 1140898710 /nfs/dbraw/zinc/89/87/10/1140898710.db2.gz DNQFNIVYTWEAFQ-YIONKMFJSA-N 1 3 319.424 2.142 20 0 DEADHO Cc1cccnc1C1(CN[C@H]2CC[NH2+][C@H](C)C2)CCOCC1 ZINC001246436981 1140898791 /nfs/dbraw/zinc/89/87/91/1140898791.db2.gz CEVHXADFIQJTBX-CVEARBPZSA-N 1 3 303.450 2.168 20 0 DEADHO Cc1cccnc1C1(C[NH2+][C@H]2CCN[C@H](C)C2)CCOCC1 ZINC001246436981 1140898792 /nfs/dbraw/zinc/89/87/92/1140898792.db2.gz CEVHXADFIQJTBX-CVEARBPZSA-N 1 3 303.450 2.168 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)c3ccccc3)CC2)CCN1 ZINC001246446266 1140900707 /nfs/dbraw/zinc/90/07/07/1140900707.db2.gz LWZJOIMYYBJQFC-DDBAPUKQSA-N 1 3 315.461 2.458 20 0 DEADHO CCN(CC[NH2+]Cc1c(C)cccc1C)C(=O)[C@H]1CCCN1C ZINC001320818621 1140937582 /nfs/dbraw/zinc/93/75/82/1140937582.db2.gz OBPSPQZEKCQPMP-GOSISDBHSA-N 1 3 317.477 2.336 20 0 DEADHO C[C@@H](CC(C)(C)SCc1ccco1)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246558666 1140963765 /nfs/dbraw/zinc/96/37/65/1140963765.db2.gz LLWCGHSTQLTSGT-NWANDNLSSA-N 1 3 312.479 2.464 20 0 DEADHO C[C@@H](CC(C)(C)SCc1ccco1)[N@@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246558666 1140963784 /nfs/dbraw/zinc/96/37/84/1140963784.db2.gz LLWCGHSTQLTSGT-NWANDNLSSA-N 1 3 312.479 2.464 20 0 DEADHO C[C@@H](CC(C)(C)SCc1ccco1)[N@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246558666 1140963802 /nfs/dbraw/zinc/96/38/02/1140963802.db2.gz LLWCGHSTQLTSGT-NWANDNLSSA-N 1 3 312.479 2.464 20 0 DEADHO CCC[C@H](CCc1ccccc1)N1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246642702 1141020839 /nfs/dbraw/zinc/02/08/39/1141020839.db2.gz NDJJKXZXRWAQBT-MOPGFXCFSA-N 1 3 301.478 2.425 20 0 DEADHO c1ccc(CC2CCC(N3CCN[C@@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC001246647141 1141022230 /nfs/dbraw/zinc/02/22/30/1141022230.db2.gz ZBSHDOCPHRKHOC-SOAGJPPSSA-N 1 3 313.489 2.425 20 0 DEADHO CC[C@@H](Cc1ccc2c(c1)OCO2)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246648626 1141023758 /nfs/dbraw/zinc/02/37/58/1141023758.db2.gz RAVGOIXTWIRRKC-PMPSAXMXSA-N 1 3 302.418 2.278 20 0 DEADHO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)N1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246655187 1141026101 /nfs/dbraw/zinc/02/61/01/1141026101.db2.gz GNBLIXXOFRYKFD-OLRMPSLUSA-N 1 3 300.324 2.405 20 0 DEADHO CCOC(=O)[C@H]1C[N@@H+]([C@@H]2CCN[C@H](C)C2)C[C@H]2CCCC[C@@H]12 ZINC001246673940 1141031637 /nfs/dbraw/zinc/03/16/37/1141031637.db2.gz QYYYBEBIXQMNJU-HHARLNAUSA-N 1 3 308.466 2.428 20 0 DEADHO CCOC(=O)[C@H]1C[N@H+]([C@@H]2CCN[C@H](C)C2)C[C@H]2CCCC[C@@H]12 ZINC001246673940 1141031646 /nfs/dbraw/zinc/03/16/46/1141031646.db2.gz QYYYBEBIXQMNJU-HHARLNAUSA-N 1 3 308.466 2.428 20 0 DEADHO CC(=O)N1CCCC[C@]12CCCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246771994 1141055910 /nfs/dbraw/zinc/05/59/10/1141055910.db2.gz ZEKOLKMPAZWTAA-UJJTZGENSA-N 1 3 305.466 2.136 20 0 DEADHO Cc1cc(F)ccc1[C@@H]1C[C@H](N2CC[C@@H](F)[C@@H](N)C2)CC[NH2+]1 ZINC001246822329 1141074719 /nfs/dbraw/zinc/07/47/19/1141074719.db2.gz YOPRFXFUFNCSFA-SIXLDLHFSA-N 1 3 309.404 2.298 20 0 DEADHO F[C@@H]1CNCC[C@H]1N(Cc1ccccc1)[C@H]1CCCC[NH2+]C1 ZINC001246845385 1141085524 /nfs/dbraw/zinc/08/55/24/1141085524.db2.gz LMKOMDFIHARHNC-RCCFBDPRSA-N 1 3 305.441 2.331 20 0 DEADHO CCC[C@H](COC)[N@H+](CCC(=O)OCC)[C@H]1CCN[C@@H](C)C1 ZINC001246893255 1141105816 /nfs/dbraw/zinc/10/58/16/1141105816.db2.gz VIIYTHGVMXMFND-HRCADAONSA-N 1 3 314.470 2.197 20 0 DEADHO CCC[C@H](COC)[N@@H+](CCC(=O)OCC)[C@H]1CCN[C@@H](C)C1 ZINC001246893255 1141105839 /nfs/dbraw/zinc/10/58/39/1141105839.db2.gz VIIYTHGVMXMFND-HRCADAONSA-N 1 3 314.470 2.197 20 0 DEADHO CCC[C@H](COC)N(CCC(=O)OCC)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246893255 1141105856 /nfs/dbraw/zinc/10/58/56/1141105856.db2.gz VIIYTHGVMXMFND-HRCADAONSA-N 1 3 314.470 2.197 20 0 DEADHO CCC[C@H](Cc1ccccc1)N1CC[C@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001246947990 1141160054 /nfs/dbraw/zinc/16/00/54/1141160054.db2.gz OTRGMRBTDKKYOD-IKGGRYGDSA-N 1 3 304.434 2.220 20 0 DEADHO CCOC(=O)[C@]12CCC[C@@H]1C[C@H]([NH2+][C@@H]1CC[C@H]3CN(C)C[C@H]31)C2 ZINC001474757231 1141205060 /nfs/dbraw/zinc/20/50/60/1141205060.db2.gz SDPQGENNUUQLIT-SGNPGRMLSA-N 1 3 320.477 2.428 20 0 DEADHO FC(F)(F)[C@@H]1CN(C2CCC3(CC[NH2+]CC3)CC2)CCN1 ZINC001246992960 1141226278 /nfs/dbraw/zinc/22/62/78/1141226278.db2.gz SADWEZCSQNENIQ-ZDUSSCGKSA-N 1 3 305.388 2.135 20 0 DEADHO COC(=O)[C@H]1CCN([C@@H]2CC[NH2+][C@H](C)C2)[C@H]1c1ccccc1 ZINC001247003565 1141239732 /nfs/dbraw/zinc/23/97/32/1141239732.db2.gz WREXALDGGHVLQH-SIXLDLHFSA-N 1 3 302.418 2.363 20 0 DEADHO CCOC(=O)N1CCC[C@H](N2CC[C@@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001247012419 1141241965 /nfs/dbraw/zinc/24/19/65/1141241965.db2.gz DJUQQFGTJZGUKX-JYJNAYRXSA-N 1 3 309.454 2.071 20 0 DEADHO c1cc(CN2CCC(N3CC[C@@H]4[NH2+]CCC[C@H]4C3)CC2)ccn1 ZINC001247013102 1141242822 /nfs/dbraw/zinc/24/28/22/1141242822.db2.gz FUIPEGUPIABIKD-HKUYNNGSSA-N 1 3 314.477 2.120 20 0 DEADHO CC[NH2+][C@H](CNC(=O)[C@H](CC)N(C)C)c1ccccc1CC ZINC001421518402 1171830786 /nfs/dbraw/zinc/83/07/86/1171830786.db2.gz AWPWGYZIMMUKAM-SJORKVTESA-N 1 3 305.466 2.356 20 0 DEADHO c1ccc2cc(-c3noc([C@H]4CNCC45C[NH2+]C5)n3)ccc2c1 ZINC001247827993 1141542468 /nfs/dbraw/zinc/54/24/68/1141542468.db2.gz ABHUGLNNYRZNLD-OAHLLOKOSA-N 1 3 306.369 2.166 20 0 DEADHO CN(CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CCCF)C1)CC(C)(C)C ZINC001278592385 1142277303 /nfs/dbraw/zinc/27/73/03/1142277303.db2.gz BMWWMHWIWGHVDV-HUUCEWRRSA-N 1 3 315.477 2.198 20 0 DEADHO CC(C)c1ccc(OC[C@H](O)CNC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC001250772783 1142310226 /nfs/dbraw/zinc/31/02/26/1142310226.db2.gz SUBVLHPSUWKLQZ-FUHWJXTLSA-N 1 3 320.477 2.481 20 0 DEADHO CC(C)c1ccc(OC[C@H](O)CNC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001250772783 1142310235 /nfs/dbraw/zinc/31/02/35/1142310235.db2.gz SUBVLHPSUWKLQZ-FUHWJXTLSA-N 1 3 320.477 2.481 20 0 DEADHO CC(C)c1ccc(OC[C@H](O)CN[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC001250784645 1142313255 /nfs/dbraw/zinc/31/32/55/1142313255.db2.gz FITBKUMKIRVIKA-WDYCEAGBSA-N 1 3 320.477 2.480 20 0 DEADHO CC(C)c1ccc(OC[C@H](O)CN[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC001250784645 1142313258 /nfs/dbraw/zinc/31/32/58/1142313258.db2.gz FITBKUMKIRVIKA-WDYCEAGBSA-N 1 3 320.477 2.480 20 0 DEADHO CC(C)CN1CCC([NH2+]C[C@H](O)COc2cccc(F)c2)CC1 ZINC001250829463 1142329280 /nfs/dbraw/zinc/32/92/80/1142329280.db2.gz IHAAQHAVZDPXRJ-KRWDZBQOSA-N 1 3 324.440 2.275 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CCC(F)(F)F)C1 ZINC001278608084 1142338458 /nfs/dbraw/zinc/33/84/58/1142338458.db2.gz JFLWKADYAJLCHQ-OLZOCXBDSA-N 1 3 323.403 2.155 20 0 DEADHO CCN(CC)C[C@@H](O)C[NH2+][C@H](C)COc1cc(C)cc(C)c1 ZINC001253202345 1142853498 /nfs/dbraw/zinc/85/34/98/1142853498.db2.gz HGGWVCAWBLVEGP-SJORKVTESA-N 1 3 308.466 2.363 20 0 DEADHO COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CCCN(C)CC1)CCO2 ZINC001254513243 1143168063 /nfs/dbraw/zinc/16/80/63/1143168063.db2.gz BQWXOACUSRFXGW-GOEBONIOSA-N 1 3 318.417 2.371 20 0 DEADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](N3CCC(C)([NH3+])CC3)C[C@@H]2C1 ZINC001254895939 1143354650 /nfs/dbraw/zinc/35/46/50/1143354650.db2.gz NVUDDLXDGKVYHE-FICVDOATSA-N 1 3 323.481 2.445 20 0 DEADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC2OCCO2)C3)cc1 ZINC001255127862 1143434385 /nfs/dbraw/zinc/43/43/85/1143434385.db2.gz FOWQRIRLODJMGQ-BJWYYQGGSA-N 1 3 302.418 2.145 20 0 DEADHO CC1(C)C(=O)NC[C@@H]1N[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255397273 1143594947 /nfs/dbraw/zinc/59/49/47/1143594947.db2.gz NXVHIIARPAQBQY-IRXDYDNUSA-N 1 3 315.461 2.155 20 0 DEADHO CC1(C)C(=O)NC[C@@H]1N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255397273 1143594954 /nfs/dbraw/zinc/59/49/54/1143594954.db2.gz NXVHIIARPAQBQY-IRXDYDNUSA-N 1 3 315.461 2.155 20 0 DEADHO COC[C@H](C)[NH+]1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC001255574528 1143761947 /nfs/dbraw/zinc/76/19/47/1143761947.db2.gz SJDFOXFRHOSHEI-INIZCTEOSA-N 1 3 303.450 2.404 20 0 DEADHO C[NH+](C)CCN1CCN([C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001255709755 1143803324 /nfs/dbraw/zinc/80/33/24/1143803324.db2.gz RWOOQPPSITVVJU-KGLIPLIRSA-N 1 3 307.404 2.287 20 0 DEADHO CC[NH+](CC)CC[C@@H](C)N[C@H](CN1CCOCC1)C(C)(C)C ZINC001255955435 1143816514 /nfs/dbraw/zinc/81/65/14/1143816514.db2.gz TVWDSTCKVQIDKD-IAGOWNOFSA-N 1 3 313.530 2.443 20 0 DEADHO CC[NH+](CC)CC[C@H](C)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC001255952993 1143816785 /nfs/dbraw/zinc/81/67/85/1143816785.db2.gz HKYLNKARLYKGHQ-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO CCOC(=O)N1CC[C@H]([NH2+][C@H](CCN(C)C)c2ccccc2)C1 ZINC001256011982 1143821079 /nfs/dbraw/zinc/82/10/79/1143821079.db2.gz VIFOVLVUBDRVAD-DLBZAZTESA-N 1 3 319.449 2.500 20 0 DEADHO [NH3+][C@H]1CC[C@H](N(c2ccncn2)C2CCN(C3CC3)CC2)CC1 ZINC001256071819 1143827453 /nfs/dbraw/zinc/82/74/53/1143827453.db2.gz AHRNPHVEPJFYPF-KOMQPUFPSA-N 1 3 315.465 2.180 20 0 DEADHO C[C@H]1C[C@H](n2cc(CN)cnc2=N)CC[N@@H+]1Cc1ccccc1 ZINC001256530544 1143852136 /nfs/dbraw/zinc/85/21/36/1143852136.db2.gz CMZLCPMVUSBNAR-WMLDXEAASA-N 1 3 311.433 2.047 20 0 DEADHO C[C@H]1C[C@H](n2cc(CN)cnc2=N)CC[N@H+]1Cc1ccccc1 ZINC001256530544 1143852138 /nfs/dbraw/zinc/85/21/38/1143852138.db2.gz CMZLCPMVUSBNAR-WMLDXEAASA-N 1 3 311.433 2.047 20 0 DEADHO CCOC(=O)[C@@H]1CCN(C2CC[NH+](C(C)(C)C)CC2)CCC1=O ZINC001256572190 1143854608 /nfs/dbraw/zinc/85/46/08/1143854608.db2.gz PGYJREMTYLXONF-OAHLLOKOSA-N 1 3 324.465 2.094 20 0 DEADHO CC(C)N1CCN(CC[NH2+][C@@H]2CCCN(C3CCCC3)C2)CC1 ZINC001256902112 1143874010 /nfs/dbraw/zinc/87/40/10/1143874010.db2.gz PNBYGTVZDCVACM-GOSISDBHSA-N 1 3 322.541 2.009 20 0 DEADHO CC(C)N1CCC([NH+]2CCC(C)(N3CCOCC3)CC2)CC1 ZINC001257221715 1143894746 /nfs/dbraw/zinc/89/47/46/1143894746.db2.gz DXCGCLHMRHECNX-UHFFFAOYSA-N 1 3 309.498 2.046 20 0 DEADHO COCCCCN1CCN(C2CC[NH+](CC(C)C)CC2)CC1 ZINC001258018758 1143966581 /nfs/dbraw/zinc/96/65/81/1143966581.db2.gz SVTZMFXYMFLGPW-UHFFFAOYSA-N 1 3 311.514 2.151 20 0 DEADHO c1ccc(CC[NH+]2CCC(N3CC(C4COC4)C3)CC2)cc1 ZINC001258141308 1143978003 /nfs/dbraw/zinc/97/80/03/1143978003.db2.gz YHOFRNPPRGWMMO-UHFFFAOYSA-N 1 3 300.446 2.272 20 0 DEADHO C[C@@H](Cc1ccco1)N[C@@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001258177809 1143980736 /nfs/dbraw/zinc/98/07/36/1143980736.db2.gz FGZNKGIYEOOHIL-GXTWGEPZSA-N 1 3 311.426 2.390 20 0 DEADHO CC[NH+](CC)CCC[C@@H](C)N[C@@H]1c2ccccc2CNC1=O ZINC001258901883 1144052827 /nfs/dbraw/zinc/05/28/27/1144052827.db2.gz OYIYTJVHRIKFDI-RHSMWYFYSA-N 1 3 303.450 2.458 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](CNCCC(=O)N(C)c2ccccc2)C1 ZINC001262563527 1144319031 /nfs/dbraw/zinc/31/90/31/1144319031.db2.gz HRZKRZPQQGHPNY-MRXNPFEDSA-N 1 3 303.450 2.359 20 0 DEADHO CC(C)[N@H+]1CC[C@H](CNCCC(=O)N(C)c2ccccc2)C1 ZINC001262563527 1144319033 /nfs/dbraw/zinc/31/90/33/1144319033.db2.gz HRZKRZPQQGHPNY-MRXNPFEDSA-N 1 3 303.450 2.359 20 0 DEADHO C[C@@H](CN)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC000382022700 1144385564 /nfs/dbraw/zinc/38/55/64/1144385564.db2.gz YRJVPZXNRJTLNG-UONOGXRCSA-N 1 3 311.470 2.493 20 0 DEADHO C[NH+](C)CCCCC(=O)N1CCCCC[C@H](NCCF)C1 ZINC001264125361 1144475867 /nfs/dbraw/zinc/47/58/67/1144475867.db2.gz IKHKHGPLSXAIEL-HNNXBMFYSA-N 1 3 301.450 2.049 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](CC(C)C)C1CC1 ZINC001265183777 1144662418 /nfs/dbraw/zinc/66/24/18/1144662418.db2.gz FSWKYAUCPZUMQW-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](CC(C)C)C1CC1 ZINC001265183777 1144662423 /nfs/dbraw/zinc/66/24/23/1144662423.db2.gz FSWKYAUCPZUMQW-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CC/C=C\CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)CC ZINC001265415159 1144703178 /nfs/dbraw/zinc/70/31/78/1144703178.db2.gz WNLKEJMKTNWEMR-UGZFAFSNSA-N 1 3 307.482 2.360 20 0 DEADHO CC/C=C\CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CC ZINC001265415159 1144703180 /nfs/dbraw/zinc/70/31/80/1144703180.db2.gz WNLKEJMKTNWEMR-UGZFAFSNSA-N 1 3 307.482 2.360 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCC2CCC2)C1 ZINC001265964740 1144771903 /nfs/dbraw/zinc/77/19/03/1144771903.db2.gz ZWUWZJCUDHPIPX-SJORKVTESA-N 1 3 307.482 2.099 20 0 DEADHO CC[C@@H](C)C[NH2+]CC[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001280074412 1144831800 /nfs/dbraw/zinc/83/18/00/1144831800.db2.gz UGININPVVYRDFG-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NC1(C[NH2+]CCF)CCCCC1 ZINC001282626970 1145102111 /nfs/dbraw/zinc/10/21/11/1145102111.db2.gz BIKZHYZPVXWWNW-GJZGRUSLSA-N 1 3 313.461 2.237 20 0 DEADHO CCOC(=O)COc1ccc(C[N@H+](C)CCCN(C)C)cc1 ZINC001364675541 1145449178 /nfs/dbraw/zinc/44/91/78/1145449178.db2.gz ZXNQTJXLNPRLNB-UHFFFAOYSA-N 1 3 308.422 2.012 20 0 DEADHO CCOC(=O)COc1ccc(C[N@@H+](C)CCCN(C)C)cc1 ZINC001364675541 1145449186 /nfs/dbraw/zinc/44/91/86/1145449186.db2.gz ZXNQTJXLNPRLNB-UHFFFAOYSA-N 1 3 308.422 2.012 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H]2CCC[C@]3(CCOC3)O2)[C@@H](C)C1 ZINC001365278729 1145835978 /nfs/dbraw/zinc/83/59/78/1145835978.db2.gz SZTHTEMLCWOGCS-XLAORIBOSA-N 1 3 310.482 2.377 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C[C@@H]2CCC[C@]3(CCOC3)O2)[C@@H](C)C1 ZINC001365278729 1145835979 /nfs/dbraw/zinc/83/59/79/1145835979.db2.gz SZTHTEMLCWOGCS-XLAORIBOSA-N 1 3 310.482 2.377 20 0 DEADHO COC(=O)[C@@H]1C[C@@H]2C[C@@H]([NH2+]CC(C)(C)CN3CCCC3)[C@H]2C1 ZINC001365596149 1145899088 /nfs/dbraw/zinc/89/90/88/1145899088.db2.gz LLSCKPCFKBTEFD-LVQVYYBASA-N 1 3 308.466 2.286 20 0 DEADHO CC/C=C\CC[N@H+]1CC=C(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001284957482 1145993132 /nfs/dbraw/zinc/99/31/32/1145993132.db2.gz KQHCNTBHKQUWGI-VGOKWCNXSA-N 1 3 319.493 2.433 20 0 DEADHO CC/C=C\CC[N@@H+]1CC=C(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001284957482 1145993136 /nfs/dbraw/zinc/99/31/36/1145993136.db2.gz KQHCNTBHKQUWGI-VGOKWCNXSA-N 1 3 319.493 2.433 20 0 DEADHO CC(C)[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001365859823 1146031564 /nfs/dbraw/zinc/03/15/64/1146031564.db2.gz HEIRWYVVGBUILK-RDJZCZTQSA-N 1 3 309.498 2.486 20 0 DEADHO C[N@H+](CCCCCF)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001491951770 1147015137 /nfs/dbraw/zinc/01/51/37/1147015137.db2.gz LSCGCFCRBJYXJE-HNNXBMFYSA-N 1 3 310.417 2.015 20 0 DEADHO C[N@@H+](CCCCCF)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001491951770 1147015144 /nfs/dbraw/zinc/01/51/44/1147015144.db2.gz LSCGCFCRBJYXJE-HNNXBMFYSA-N 1 3 310.417 2.015 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@H](NCc1ccccc1Cl)C1CC1 ZINC001366063705 1147034781 /nfs/dbraw/zinc/03/47/81/1147034781.db2.gz OYGMNNMUZZDTII-INIZCTEOSA-N 1 3 323.868 2.276 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1)N(C)C ZINC001366137480 1147073710 /nfs/dbraw/zinc/07/37/10/1147073710.db2.gz WOILTGWDNSFLLK-MWQQHZPXSA-N 1 3 303.450 2.325 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3ccccc3)C[C@H]21)N(C)C ZINC001366235646 1147144186 /nfs/dbraw/zinc/14/41/86/1147144186.db2.gz HXCYMBRNHMNUIL-PFPDTZPXSA-N 1 3 315.461 2.134 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3ccccc3)C[C@H]21)N(C)C ZINC001366235646 1147144191 /nfs/dbraw/zinc/14/41/91/1147144191.db2.gz HXCYMBRNHMNUIL-PFPDTZPXSA-N 1 3 315.461 2.134 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1c(C)cccc1C)N(C)C ZINC001366354722 1147230774 /nfs/dbraw/zinc/23/07/74/1147230774.db2.gz RQEZNJTXJDNASW-DOTOQJQBSA-N 1 3 305.466 2.238 20 0 DEADHO CC[C@@H](C)C[N@H+](C)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001366426144 1147267470 /nfs/dbraw/zinc/26/74/70/1147267470.db2.gz AQMNOKGQAALSKF-NVXWUHKLSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C)C[N@@H+](C)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001366426144 1147267492 /nfs/dbraw/zinc/26/74/92/1147267492.db2.gz AQMNOKGQAALSKF-NVXWUHKLSA-N 1 3 309.498 2.440 20 0 DEADHO CCCCC[N@H+](C)[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001480735042 1147289427 /nfs/dbraw/zinc/28/94/27/1147289427.db2.gz BNSJNXGVMQHRFX-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO CCCCC[N@@H+](C)[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001480735042 1147289430 /nfs/dbraw/zinc/28/94/30/1147289430.db2.gz BNSJNXGVMQHRFX-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)[C@H](C(=O)NCCN(C)CCc1ccccc1F)[NH+](C)C ZINC001366560019 1147352664 /nfs/dbraw/zinc/35/26/64/1147352664.db2.gz VWVTYVBSQHNNBX-QGZVFWFLSA-N 1 3 323.456 2.002 20 0 DEADHO CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC001413833911 1147429912 /nfs/dbraw/zinc/42/99/12/1147429912.db2.gz OZSJIXJAHPRYAO-ZWKOTPCHSA-N 1 3 315.461 2.204 20 0 DEADHO CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC001413833911 1147429914 /nfs/dbraw/zinc/42/99/14/1147429914.db2.gz OZSJIXJAHPRYAO-ZWKOTPCHSA-N 1 3 315.461 2.204 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@@H]2CC[N@H+](Cc3ccsc3)C2)C1 ZINC001366693706 1147487731 /nfs/dbraw/zinc/48/77/31/1147487731.db2.gz CELVDVIKKADYNU-GJZGRUSLSA-N 1 3 321.490 2.028 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@@H]2CC[N@@H+](Cc3ccsc3)C2)C1 ZINC001366693706 1147487735 /nfs/dbraw/zinc/48/77/35/1147487735.db2.gz CELVDVIKKADYNU-GJZGRUSLSA-N 1 3 321.490 2.028 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+]CCO[C@@H]2CC2(F)F)CC1 ZINC001308855627 1147488339 /nfs/dbraw/zinc/48/83/39/1147488339.db2.gz QSFOWSBXLYFIPH-SHARSMKWSA-N 1 3 318.408 2.034 20 0 DEADHO C[NH+](C)CCC(=O)N[C@@H]1CCN(CCc2ccc(Cl)cc2)C1 ZINC001367032542 1147636704 /nfs/dbraw/zinc/63/67/04/1147636704.db2.gz DGIDEAJGYBSNGP-MRXNPFEDSA-N 1 3 323.868 2.025 20 0 DEADHO C[NH+](C)CCC(=O)N1CCCC[C@@H]1CNCC=C(Cl)Cl ZINC001317193160 1147674041 /nfs/dbraw/zinc/67/40/41/1147674041.db2.gz SDAQJKWPEHCJOZ-GFCCVEGCSA-N 1 3 322.280 2.228 20 0 DEADHO C[C@H](C[NH2+]CC1CCCCCC1)N(C)C(=O)[C@H]1CCCN1C ZINC001367362722 1147684259 /nfs/dbraw/zinc/68/42/59/1147684259.db2.gz VHNLQNWKNOUPAD-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccccc1)N(C)C ZINC001367400030 1147689164 /nfs/dbraw/zinc/68/91/64/1147689164.db2.gz LLLGLWAWHDORHD-NVXWUHKLSA-N 1 3 305.466 2.209 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)CC[N@H+](C)CCc1ccccc1)N(C)C ZINC001367523573 1147708455 /nfs/dbraw/zinc/70/84/55/1147708455.db2.gz RQCPDHMVCYBYMN-SFHVURJKSA-N 1 3 319.493 2.206 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)CC[N@@H+](C)CCc1ccccc1)N(C)C ZINC001367523573 1147708456 /nfs/dbraw/zinc/70/84/56/1147708456.db2.gz RQCPDHMVCYBYMN-SFHVURJKSA-N 1 3 319.493 2.206 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(F)cc1 ZINC001317665693 1147740843 /nfs/dbraw/zinc/74/08/43/1147740843.db2.gz SNNBCTFYQXDUJB-KRWDZBQOSA-N 1 3 321.440 2.248 20 0 DEADHO CC(C)=CC[N@@H+](C)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001317880632 1147759877 /nfs/dbraw/zinc/75/98/77/1147759877.db2.gz ZGMHQARGOFRRQR-QGZVFWFLSA-N 1 3 321.509 2.465 20 0 DEADHO CC(C)=CC[N@H+](C)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001317880632 1147759879 /nfs/dbraw/zinc/75/98/79/1147759879.db2.gz ZGMHQARGOFRRQR-QGZVFWFLSA-N 1 3 321.509 2.465 20 0 DEADHO CC[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1[NH2+]C/C=C\Cl ZINC001367931305 1147784388 /nfs/dbraw/zinc/78/43/88/1147784388.db2.gz ZAHVTUSMZWIYDQ-JHSOUAKNSA-N 1 3 315.889 2.296 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@]1(C)CCN(C(=O)CN(C)C2CCC2)C1 ZINC001368189864 1148315884 /nfs/dbraw/zinc/31/58/84/1148315884.db2.gz MTVWLSCHCDAXPB-QAPCUYQASA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@](C)(C[NH2+]CC3CCCC3)C2)C1 ZINC001368201990 1148322010 /nfs/dbraw/zinc/32/20/10/1148322010.db2.gz ZVPSBJRPWRBARE-APWZRJJASA-N 1 3 321.509 2.347 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@]1(C)CCC[N@@H+](CC[C@H](C)F)C1 ZINC001368234440 1148347486 /nfs/dbraw/zinc/34/74/86/1148347486.db2.gz XVXMDGWSLIWKLT-GUYCJALGSA-N 1 3 324.444 2.227 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@]1(C)CCC[N@H+](CC[C@H](C)F)C1 ZINC001368234440 1148347493 /nfs/dbraw/zinc/34/74/93/1148347493.db2.gz XVXMDGWSLIWKLT-GUYCJALGSA-N 1 3 324.444 2.227 20 0 DEADHO COCC(C)(C)CN1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000426419668 230795730 /nfs/dbraw/zinc/79/57/30/230795730.db2.gz KEHKFVSSSIDTNA-UHFFFAOYSA-N 1 3 311.514 2.149 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000295008795 529463812 /nfs/dbraw/zinc/46/38/12/529463812.db2.gz LZCTXUYTISHLEG-OKZBNKHCSA-N 1 3 311.429 2.344 20 0 DEADHO C[NH2+]CCCCC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001353508814 1151835305 /nfs/dbraw/zinc/83/53/05/1151835305.db2.gz ORNSJDQUFJDJJQ-WBVHZDCISA-N 1 3 303.450 2.328 20 0 DEADHO CC[C@H](NC1CCN(Cc2ccccn2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422894787 529584586 /nfs/dbraw/zinc/58/45/86/529584586.db2.gz DHSGEILFHPPCHN-ROUUACIJSA-N 1 3 302.466 2.166 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000417843420 529607975 /nfs/dbraw/zinc/60/79/75/529607975.db2.gz VNPSSLDLDWRPEH-KSSFIOAISA-N 1 3 317.477 2.391 20 0 DEADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(Cl)nc1 ZINC000179102763 282214226 /nfs/dbraw/zinc/21/42/26/282214226.db2.gz AMSIHAOFHGOLRL-ZDUSSCGKSA-N 1 3 310.873 2.412 20 0 DEADHO CCOC(=O)N1CCC([C@H](C)[NH2+]CC[C@@H]2CCCN2C)CC1 ZINC000186412816 282275840 /nfs/dbraw/zinc/27/58/40/282275840.db2.gz QPXDLWVKJKVZEG-HOCLYGCPSA-N 1 3 311.470 2.317 20 0 DEADHO CCc1ccc([C@H](CNC(=O)N[C@H](C)C[NH3+])N(CC)CC)cc1 ZINC000418208287 529723426 /nfs/dbraw/zinc/72/34/26/529723426.db2.gz DAFDABLEBLIOIU-PBHICJAKSA-N 1 3 320.481 2.278 20 0 DEADHO C[C@H](NC(=O)N1CCN[C@H](C)[C@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000418160179 299107987 /nfs/dbraw/zinc/10/79/87/299107987.db2.gz BBCNTNIJNZXZQO-DLTWYDFYSA-N 1 3 318.465 2.070 20 0 DEADHO CN1CCC[C@H](CNC(=O)NC(C)(C)C[NH3+])[C@H]1c1cccs1 ZINC000417736482 530061134 /nfs/dbraw/zinc/06/11/34/530061134.db2.gz MTIUHTLAIXDMTA-OCCSQVGLSA-N 1 3 324.494 2.168 20 0 DEADHO COCC1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000093103472 539429704 /nfs/dbraw/zinc/42/97/04/539429704.db2.gz HBNYRTAWMCDGMA-UHFFFAOYSA-N 1 3 306.450 2.485 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+](C)[C@@H](CO)C(C)(C)C)cc1 ZINC000093821790 539431897 /nfs/dbraw/zinc/43/18/97/539431897.db2.gz YKUMJEYOFKWSLT-KRWDZBQOSA-N 1 3 308.466 2.466 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+](C)[C@@H](CO)C(C)(C)C)cc1 ZINC000093821790 539431899 /nfs/dbraw/zinc/43/18/99/539431899.db2.gz YKUMJEYOFKWSLT-KRWDZBQOSA-N 1 3 308.466 2.466 20 0 DEADHO CCC[NH+]1CCC(NCCc2nnc3n2CCCCC3)CC1 ZINC000126509111 539477560 /nfs/dbraw/zinc/47/75/60/539477560.db2.gz VUWQBIZPCZTGGE-UHFFFAOYSA-N 1 3 305.470 2.011 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1)N1CCCCC1 ZINC000615617977 362660812 /nfs/dbraw/zinc/66/08/12/362660812.db2.gz DLDBRNNICBNIGH-IEBWSBKVSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1)N1CCCCC1 ZINC000615617977 362660817 /nfs/dbraw/zinc/66/08/17/362660817.db2.gz DLDBRNNICBNIGH-IEBWSBKVSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H](N[C@@H]1CCN(c2ccccc2)C1=O)C1CC[NH+](C)CC1 ZINC000129097436 539488371 /nfs/dbraw/zinc/48/83/71/539488371.db2.gz BLLRBYKUAVSHLC-WMLDXEAASA-N 1 3 301.434 2.112 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000358093254 535015793 /nfs/dbraw/zinc/01/57/93/535015793.db2.gz LOZDSIKYKFZHSY-HUUCEWRRSA-N 1 3 312.502 2.135 20 0 DEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000358093254 535015796 /nfs/dbraw/zinc/01/57/96/535015796.db2.gz LOZDSIKYKFZHSY-HUUCEWRRSA-N 1 3 312.502 2.135 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000155667718 539560333 /nfs/dbraw/zinc/56/03/33/539560333.db2.gz GNYQAVWQENIMSF-KBXCAEBGSA-N 1 3 305.441 2.429 20 0 DEADHO C[N@H+](CCCNC(=O)[C@@H]1CCCN1C1CC1)Cc1ccccc1 ZINC000279710825 215081023 /nfs/dbraw/zinc/08/10/23/215081023.db2.gz KUPDATAKPFCKMI-SFHVURJKSA-N 1 3 315.461 2.252 20 0 DEADHO C[N@@H+](CCCNC(=O)[C@@H]1CCCN1C1CC1)Cc1ccccc1 ZINC000279710825 215081027 /nfs/dbraw/zinc/08/10/27/215081027.db2.gz KUPDATAKPFCKMI-SFHVURJKSA-N 1 3 315.461 2.252 20 0 DEADHO CC(C)[C@@H](N)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000211738646 539724354 /nfs/dbraw/zinc/72/43/54/539724354.db2.gz RESVSODOKCKBHL-GOSISDBHSA-N 1 3 317.477 2.340 20 0 DEADHO CC(C)[C@@H](N)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000211738646 539724358 /nfs/dbraw/zinc/72/43/58/539724358.db2.gz RESVSODOKCKBHL-GOSISDBHSA-N 1 3 317.477 2.340 20 0 DEADHO CC[C@@H](CNC(=O)CC1([NH3+])CCC1)N1CCc2ccccc2C1 ZINC000236951742 539741151 /nfs/dbraw/zinc/74/11/51/539741151.db2.gz JNXDRFUVKBHPBC-KRWDZBQOSA-N 1 3 315.461 2.211 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)CC2([NH3+])CCC2)CCN1Cc1ccccc1 ZINC000237587124 539747646 /nfs/dbraw/zinc/74/76/46/539747646.db2.gz AJXQLZXJKQDDGI-NVXWUHKLSA-N 1 3 315.461 2.427 20 0 DEADHO C[C@@H](NC(=O)[C@@H](C)[C@H](N)c1ccccc1)C(C)(C)C[NH+](C)C ZINC000262668740 282676780 /nfs/dbraw/zinc/67/67/80/282676780.db2.gz LVURFIHPWXXFMQ-LZWOXQAQSA-N 1 3 305.466 2.415 20 0 DEADHO CC(C)NC(=O)CC[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000177864889 186195365 /nfs/dbraw/zinc/19/53/65/186195365.db2.gz RJLLVRZHLAWUII-HNNXBMFYSA-N 1 3 321.465 2.192 20 0 DEADHO CC(C)NC(=O)CCN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000177864889 186195367 /nfs/dbraw/zinc/19/53/67/186195367.db2.gz RJLLVRZHLAWUII-HNNXBMFYSA-N 1 3 321.465 2.192 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](CN)c1ccccc1 ZINC000237504182 186298472 /nfs/dbraw/zinc/29/84/72/186298472.db2.gz VAVXFJJOVPUEHP-RDJZCZTQSA-N 1 3 303.450 2.110 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](CN)c1ccccc1 ZINC000237504182 186298473 /nfs/dbraw/zinc/29/84/73/186298473.db2.gz VAVXFJJOVPUEHP-RDJZCZTQSA-N 1 3 303.450 2.110 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C1CC[NH2+]CC1 ZINC000237511074 186299358 /nfs/dbraw/zinc/29/93/58/186299358.db2.gz LMTLDFSFMNNMDQ-MRXNPFEDSA-N 1 3 315.461 2.109 20 0 DEADHO CN1CCC(Oc2ccc(C[NH2+][C@H]3CCCOC3)cc2)CC1 ZINC000284383931 539823279 /nfs/dbraw/zinc/82/32/79/539823279.db2.gz OPNDLQPDAYEXCX-INIZCTEOSA-N 1 3 304.434 2.428 20 0 DEADHO Cc1ccccc1CNC(=O)[C@@H](C)N1CCC([C@H](C)[NH3+])CC1 ZINC000430921165 237531821 /nfs/dbraw/zinc/53/18/21/237531821.db2.gz XHILATKIRFIHFY-LSDHHAIUSA-N 1 3 303.450 2.059 20 0 DEADHO COc1ccccc1C[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(C)C ZINC000320277273 539896067 /nfs/dbraw/zinc/89/60/67/539896067.db2.gz ZJOOQDHPXQHHAW-RDJZCZTQSA-N 1 3 308.466 2.259 20 0 DEADHO COc1ccccc1C[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(C)C ZINC000320277273 539896069 /nfs/dbraw/zinc/89/60/69/539896069.db2.gz ZJOOQDHPXQHHAW-RDJZCZTQSA-N 1 3 308.466 2.259 20 0 DEADHO C[C@H](CN[C@@H](C)c1cccc(-n2cnnn2)c1)C[NH+]1CCCC1 ZINC000320493615 539896995 /nfs/dbraw/zinc/89/69/95/539896995.db2.gz BIXLYYSVUJBLNR-CABCVRRESA-N 1 3 314.437 2.045 20 0 DEADHO C[C@H](C[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1)CN1CCCC1 ZINC000320493615 539896998 /nfs/dbraw/zinc/89/69/98/539896998.db2.gz BIXLYYSVUJBLNR-CABCVRRESA-N 1 3 314.437 2.045 20 0 DEADHO C[NH+](C)CCC1CCN(C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000056524412 354535784 /nfs/dbraw/zinc/53/57/84/354535784.db2.gz UAVWPOIDYPAPSY-KRWDZBQOSA-N 1 3 324.440 2.229 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000073701141 354976774 /nfs/dbraw/zinc/97/67/74/354976774.db2.gz PPHJPWJUCMZTNH-IAGOWNOFSA-N 1 3 301.434 2.105 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000073701141 354976778 /nfs/dbraw/zinc/97/67/78/354976778.db2.gz PPHJPWJUCMZTNH-IAGOWNOFSA-N 1 3 301.434 2.105 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCC(C)C ZINC000073427016 191315518 /nfs/dbraw/zinc/31/55/18/191315518.db2.gz ZXQBZQQZICFPLT-MRXNPFEDSA-N 1 3 312.502 2.090 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCC(C)C ZINC000073427016 191315521 /nfs/dbraw/zinc/31/55/21/191315521.db2.gz ZXQBZQQZICFPLT-MRXNPFEDSA-N 1 3 312.502 2.090 20 0 DEADHO CN1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC000352807897 283071778 /nfs/dbraw/zinc/07/17/78/283071778.db2.gz XIEQFIMUEIYUON-JFIYKMOQSA-N 1 3 319.493 2.194 20 0 DEADHO CN1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC000352807897 283071779 /nfs/dbraw/zinc/07/17/79/283071779.db2.gz XIEQFIMUEIYUON-JFIYKMOQSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@H](NC1CC1)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382713807 540123530 /nfs/dbraw/zinc/12/35/30/540123530.db2.gz YBVVSNHGIVNXCQ-RDJZCZTQSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@H](NC1CC1)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382713807 540123534 /nfs/dbraw/zinc/12/35/34/540123534.db2.gz YBVVSNHGIVNXCQ-RDJZCZTQSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@H]1C[C@H](NC(=O)/C=C/CN(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000079952704 355338261 /nfs/dbraw/zinc/33/82/61/355338261.db2.gz RDDCBKNEOZRMMK-HBEJGUJUSA-N 1 3 315.461 2.274 20 0 DEADHO C[C@H]1C[C@H](NC(=O)/C=C/CN(C)C)CC[N@H+]1Cc1ccccc1 ZINC000079952704 355338263 /nfs/dbraw/zinc/33/82/63/355338263.db2.gz RDDCBKNEOZRMMK-HBEJGUJUSA-N 1 3 315.461 2.274 20 0 DEADHO CN(C)CCOc1cccc(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000414873851 540156888 /nfs/dbraw/zinc/15/68/88/540156888.db2.gz ABWASRKZLRTQOA-ZIAGYGMSSA-N 1 3 320.437 2.018 20 0 DEADHO COc1ccc(-c2n[nH]cc2CN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414924093 540157493 /nfs/dbraw/zinc/15/74/93/540157493.db2.gz JPKJWGIRHPQKCA-LSDHHAIUSA-N 1 3 300.406 2.445 20 0 DEADHO O=C(NCCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000089640653 355539611 /nfs/dbraw/zinc/53/96/11/355539611.db2.gz JXEKPODGODPLGS-ZIAGYGMSSA-N 1 3 307.463 2.084 20 0 DEADHO O=C(NCCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000089640653 355539614 /nfs/dbraw/zinc/53/96/14/355539614.db2.gz JXEKPODGODPLGS-ZIAGYGMSSA-N 1 3 307.463 2.084 20 0 DEADHO C[C@H](CCN(C)CC1(O)CCCC1)[N@H+](C)CC1(O)CCCC1 ZINC000443870967 540184773 /nfs/dbraw/zinc/18/47/73/540184773.db2.gz VWHJGPBIPXROIS-MRXNPFEDSA-N 1 3 312.498 2.239 20 0 DEADHO C[C@H](CCN(C)CC1(O)CCCC1)[N@@H+](C)CC1(O)CCCC1 ZINC000443870967 540184775 /nfs/dbraw/zinc/18/47/75/540184775.db2.gz VWHJGPBIPXROIS-MRXNPFEDSA-N 1 3 312.498 2.239 20 0 DEADHO C[C@H](CC[N@H+](C)CC1(O)CCCC1)N(C)CC1(O)CCCC1 ZINC000443870967 540184777 /nfs/dbraw/zinc/18/47/77/540184777.db2.gz VWHJGPBIPXROIS-MRXNPFEDSA-N 1 3 312.498 2.239 20 0 DEADHO C[C@H](CC[N@@H+](C)CC1(O)CCCC1)N(C)CC1(O)CCCC1 ZINC000443870967 540184779 /nfs/dbraw/zinc/18/47/79/540184779.db2.gz VWHJGPBIPXROIS-MRXNPFEDSA-N 1 3 312.498 2.239 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)N(C)C ZINC000093065129 355666495 /nfs/dbraw/zinc/66/64/95/355666495.db2.gz LICLCBMVSMCBJI-KRWDZBQOSA-N 1 3 318.465 2.000 20 0 DEADHO CCN1CCN([C@H]2CC[N@H+](Cc3cc(C)ccc3F)C2)CC1 ZINC000093132683 355668874 /nfs/dbraw/zinc/66/88/74/355668874.db2.gz GCCDHFSPJIPJKW-KRWDZBQOSA-N 1 3 305.441 2.346 20 0 DEADHO CCN1CCN([C@H]2CC[N@@H+](Cc3cc(C)ccc3F)C2)CC1 ZINC000093132683 355668877 /nfs/dbraw/zinc/66/88/77/355668877.db2.gz GCCDHFSPJIPJKW-KRWDZBQOSA-N 1 3 305.441 2.346 20 0 DEADHO C[N@@H+]1CCC[C@@H](CCNCc2cnn(CC(F)(F)F)c2)C1 ZINC000459747079 540209538 /nfs/dbraw/zinc/20/95/38/540209538.db2.gz ZSAJYZWXRQABEG-LBPRGKRZSA-N 1 3 304.360 2.267 20 0 DEADHO C[N@H+]1CCC[C@@H](CCNCc2cnn(CC(F)(F)F)c2)C1 ZINC000459747079 540209541 /nfs/dbraw/zinc/20/95/41/540209541.db2.gz ZSAJYZWXRQABEG-LBPRGKRZSA-N 1 3 304.360 2.267 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H]2C[C@H](OC)C2(CC)CC)CC1 ZINC000181492612 356082224 /nfs/dbraw/zinc/08/22/24/356082224.db2.gz CFIZSNACLZURLJ-IRXDYDNUSA-N 1 3 311.514 2.197 20 0 DEADHO C[N@H+](Cc1ccccc1)CC(C)(C)CNCCN1CCOCC1 ZINC000237130349 356294222 /nfs/dbraw/zinc/29/42/22/356294222.db2.gz UPQFCCUWDKGYMF-UHFFFAOYSA-N 1 3 319.493 2.066 20 0 DEADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNCCN1CCOCC1 ZINC000237130349 356294228 /nfs/dbraw/zinc/29/42/28/356294228.db2.gz UPQFCCUWDKGYMF-UHFFFAOYSA-N 1 3 319.493 2.066 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[C@H](C)[NH3+] ZINC000399389069 283152547 /nfs/dbraw/zinc/15/25/47/283152547.db2.gz ROHNRXXLYUSFRT-JQHSSLGASA-N 1 3 317.477 2.387 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CNCc2ccccc21 ZINC000321001778 356448020 /nfs/dbraw/zinc/44/80/20/356448020.db2.gz NDPNPDCCYYBFQK-YJBOKZPZSA-N 1 3 315.461 2.254 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CNCc2ccccc21 ZINC000321001778 356448021 /nfs/dbraw/zinc/44/80/21/356448021.db2.gz NDPNPDCCYYBFQK-YJBOKZPZSA-N 1 3 315.461 2.254 20 0 DEADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](N)c1ccccc1 ZINC000236848776 202037337 /nfs/dbraw/zinc/03/73/37/202037337.db2.gz BTDLPZZBORPAOJ-IXDOHACOSA-N 1 3 301.434 2.162 20 0 DEADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](N)c1ccccc1 ZINC000236848776 202037339 /nfs/dbraw/zinc/03/73/39/202037339.db2.gz BTDLPZZBORPAOJ-IXDOHACOSA-N 1 3 301.434 2.162 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)c1ccccc1 ZINC000236882968 202050981 /nfs/dbraw/zinc/05/09/81/202050981.db2.gz QHJFLHYIUVOZLA-AEFFLSMTSA-N 1 3 303.450 2.185 20 0 DEADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CCCCN1 ZINC000236908974 202064984 /nfs/dbraw/zinc/06/49/84/202064984.db2.gz VJAVCBCBXBSKNY-QGZVFWFLSA-N 1 3 303.450 2.287 20 0 DEADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CCCCN2)cc1 ZINC000236918677 202070524 /nfs/dbraw/zinc/07/05/24/202070524.db2.gz WXSLKYADESUCSE-QGZVFWFLSA-N 1 3 303.450 2.287 20 0 DEADHO CC[C@H](N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000236962334 202095917 /nfs/dbraw/zinc/09/59/17/202095917.db2.gz DDACUOIXSSZPDA-HNNXBMFYSA-N 1 3 322.428 2.032 20 0 DEADHO CN(C)C[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423771358 283199996 /nfs/dbraw/zinc/19/99/96/283199996.db2.gz JDZCMBOYXQEXSU-GJZGRUSLSA-N 1 3 309.841 2.201 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NC[C@@H]1CC[N@H+](CCC)C1 ZINC000349178396 535331336 /nfs/dbraw/zinc/33/13/36/535331336.db2.gz RQNXEXNOUHCGMD-KRWDZBQOSA-N 1 3 324.513 2.236 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NC[C@@H]1CC[N@@H+](CCC)C1 ZINC000349178396 535331339 /nfs/dbraw/zinc/33/13/39/535331339.db2.gz RQNXEXNOUHCGMD-KRWDZBQOSA-N 1 3 324.513 2.236 20 0 DEADHO CN(C)C[C@H](NC(=O)C[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000237029884 202128685 /nfs/dbraw/zinc/12/86/85/202128685.db2.gz YMBDAHDBYMCWLM-ROUUACIJSA-N 1 3 311.429 2.496 20 0 DEADHO CN(C)C[C@@H](NC(=O)C[NH2+]CC1CC1)c1ccc(Cl)cc1 ZINC000423783123 283201065 /nfs/dbraw/zinc/20/10/65/283201065.db2.gz ZZGYFQAGTNZWRG-OAHLLOKOSA-N 1 3 309.841 2.059 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618661713 363563486 /nfs/dbraw/zinc/56/34/86/363563486.db2.gz AGLROVHQPHWYKW-OAGGEKHMSA-N 1 3 307.482 2.382 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618661713 363563490 /nfs/dbraw/zinc/56/34/90/363563490.db2.gz AGLROVHQPHWYKW-OAGGEKHMSA-N 1 3 307.482 2.382 20 0 DEADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NCC2([NH3+])CCCCC2)C[C@@H](C)C1 ZINC000578744130 356866049 /nfs/dbraw/zinc/86/60/49/356866049.db2.gz IZTAUSRGRBZYRQ-ARFHVFGLSA-N 1 3 322.497 2.020 20 0 DEADHO CNCC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000237242078 202201360 /nfs/dbraw/zinc/20/13/60/202201360.db2.gz ACTXLLMKAOTDOG-GJZGRUSLSA-N 1 3 303.450 2.000 20 0 DEADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1cccc2c1CCNC2 ZINC000578978000 356900259 /nfs/dbraw/zinc/90/02/59/356900259.db2.gz BAUUAVUGXPUCAA-CQSZACIVSA-N 1 3 316.449 2.138 20 0 DEADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1cccc2c1CCNC2 ZINC000578978000 356900262 /nfs/dbraw/zinc/90/02/62/356900262.db2.gz BAUUAVUGXPUCAA-CQSZACIVSA-N 1 3 316.449 2.138 20 0 DEADHO COC[C@H](O)CNCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000579702194 357017300 /nfs/dbraw/zinc/01/73/00/357017300.db2.gz RJMLRTHWNDXTAT-GOSISDBHSA-N 1 3 306.450 2.015 20 0 DEADHO Cc1ncc2c(n1)CC[C@H](N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000581878539 357260676 /nfs/dbraw/zinc/26/06/76/357260676.db2.gz NFGBWCMIKJLCTA-CIRFHOKZSA-N 1 3 300.450 2.153 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)NC[C@@H](C)[NH2+]CC ZINC000418606953 283253694 /nfs/dbraw/zinc/25/36/94/283253694.db2.gz WKNGAVHVBZDKKS-MRXNPFEDSA-N 1 3 312.502 2.282 20 0 DEADHO O=C(C[NH2+][C@@H]1CCCC12CCC2)NCCN1CCCCCC1 ZINC000449339405 283272722 /nfs/dbraw/zinc/27/27/22/283272722.db2.gz JYXKBRPDQLEHJO-MRXNPFEDSA-N 1 3 307.482 2.291 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(C)(C)C3)CC2)CC1 ZINC000655038717 540293270 /nfs/dbraw/zinc/29/32/70/540293270.db2.gz KRMVFHIPGFVFMF-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO COC(=O)c1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)[nH]1 ZINC000592433832 357875838 /nfs/dbraw/zinc/87/58/38/357875838.db2.gz ZMSWZYSQCJMVRS-KGLIPLIRSA-N 1 3 305.422 2.013 20 0 DEADHO COC(=O)c1cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c[nH]1 ZINC000592433555 357875872 /nfs/dbraw/zinc/87/58/72/357875872.db2.gz ATCGXEBHMHRSIO-LSDHHAIUSA-N 1 3 305.422 2.013 20 0 DEADHO CC1CC[NH+](CCCNC(=O)NC[C@@H]2CCN2C(C)(C)C)CC1 ZINC000661397380 540318466 /nfs/dbraw/zinc/31/84/66/540318466.db2.gz PDECAXORFMSGEL-INIZCTEOSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H](NCC1(C)OCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000179570995 199056963 /nfs/dbraw/zinc/05/69/63/199056963.db2.gz XZBUKHJCZAULFS-CQSZACIVSA-N 1 3 308.422 2.041 20 0 DEADHO CCN(C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)[C@@H]1CCN(C)C1 ZINC000664498208 540346319 /nfs/dbraw/zinc/34/63/19/540346319.db2.gz AWEVCTIJHXNJCS-DLBZAZTESA-N 1 3 324.513 2.090 20 0 DEADHO CCN(C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1)[C@@H]1CCN(C)C1 ZINC000664498208 540346320 /nfs/dbraw/zinc/34/63/20/540346320.db2.gz AWEVCTIJHXNJCS-DLBZAZTESA-N 1 3 324.513 2.090 20 0 DEADHO CCCN1CC[C@@H](NC(=O)N(CC)CCC[NH+](CC)CC)C1 ZINC000666923896 540363728 /nfs/dbraw/zinc/36/37/28/540363728.db2.gz UFLZTQHHZIZPRU-MRXNPFEDSA-N 1 3 312.502 2.234 20 0 DEADHO CC[N@H+](CCCNC(=O)[C@H](N)CCSC)C1CCCCC1 ZINC000593913983 358171214 /nfs/dbraw/zinc/17/12/14/358171214.db2.gz DLHXLDRQRXUTDA-OAHLLOKOSA-N 1 3 315.527 2.228 20 0 DEADHO CC[N@@H+](CCCNC(=O)[C@H](N)CCSC)C1CCCCC1 ZINC000593913983 358171219 /nfs/dbraw/zinc/17/12/19/358171219.db2.gz DLHXLDRQRXUTDA-OAHLLOKOSA-N 1 3 315.527 2.228 20 0 DEADHO CC[NH+](CC)CCOc1ccccc1NC(=O)NCCN(C)C ZINC000180622108 199185764 /nfs/dbraw/zinc/18/57/64/199185764.db2.gz QWQXYLFDKZXNPB-UHFFFAOYSA-N 1 3 322.453 2.090 20 0 DEADHO O=C(Oc1ccccc1)N1CCC[C@@H](N[C@H]2CCC[NH2+]C2)CC1 ZINC000496160556 283371938 /nfs/dbraw/zinc/37/19/38/283371938.db2.gz UMDHLPNLLVHAOF-CVEARBPZSA-N 1 3 317.433 2.382 20 0 DEADHO COC(=O)[C@H]1C[C@H](N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000597244155 358868109 /nfs/dbraw/zinc/86/81/09/358868109.db2.gz JPGRWPPMKXGOHC-RANZSIQMSA-N 1 3 316.445 2.438 20 0 DEADHO COC(=O)[C@H]1C[C@H](N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000597244155 358868112 /nfs/dbraw/zinc/86/81/12/358868112.db2.gz JPGRWPPMKXGOHC-RANZSIQMSA-N 1 3 316.445 2.438 20 0 DEADHO NC1(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CCCC1 ZINC000366335645 283399417 /nfs/dbraw/zinc/39/94/17/283399417.db2.gz VYNQPLXPPNSYRU-UHFFFAOYSA-N 1 3 307.482 2.419 20 0 DEADHO CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1C ZINC000598954406 359365732 /nfs/dbraw/zinc/36/57/32/359365732.db2.gz RIXDXGFHRJILJI-AWEZNQCLSA-N 1 3 319.449 2.382 20 0 DEADHO C[NH+]1CCC([C@H]2CCN(C(=O)Nc3cccc(CN)c3)C2)CC1 ZINC000667723837 540514534 /nfs/dbraw/zinc/51/45/34/540514534.db2.gz JTVOONAANDWHJT-INIZCTEOSA-N 1 3 316.449 2.341 20 0 DEADHO CC[C@@H]1CN(C(=O)NC[C@H](c2ccccc2)N(C)C)CC[C@H]1[NH3+] ZINC000668562692 540689290 /nfs/dbraw/zinc/68/92/90/540689290.db2.gz PYOWECCKCMDTHD-DJIMGWMZSA-N 1 3 318.465 2.058 20 0 DEADHO [NH3+]CC[C@@H]1CCCN([C@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000443070954 238103418 /nfs/dbraw/zinc/10/34/18/238103418.db2.gz LXWXJEHFFRPTNA-RDJZCZTQSA-N 1 3 301.434 2.243 20 0 DEADHO O=C(c1ccc2c(c1)CNC2)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669519429 540850806 /nfs/dbraw/zinc/85/08/06/540850806.db2.gz ARSGSQWLYAYCAQ-DOTOQJQBSA-N 1 3 313.445 2.142 20 0 DEADHO CC(C)Cc1ccc([C@H](CNC(=O)NC[C@@H](C)[NH3+])N(C)C)cc1 ZINC000669586955 540869850 /nfs/dbraw/zinc/86/98/50/540869850.db2.gz BPKDHFWNTDOYSB-PBHICJAKSA-N 1 3 320.481 2.134 20 0 DEADHO NC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000521423866 283623919 /nfs/dbraw/zinc/62/39/19/283623919.db2.gz ZJSJKZGXVNGDLW-YOEHRIQHSA-N 1 3 322.497 2.210 20 0 DEADHO CN(C)CCOC1CC[NH+](Cc2cccc3n[nH]cc32)CC1 ZINC000628169900 366750982 /nfs/dbraw/zinc/75/09/82/366750982.db2.gz MHYWJVVFGDIPDM-UHFFFAOYSA-N 1 3 302.422 2.106 20 0 DEADHO CC[C@@H](CN1CCCC1)NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000675194776 541300470 /nfs/dbraw/zinc/30/04/70/541300470.db2.gz QSGRRODLXIVEIM-IRXDYDNUSA-N 1 3 322.497 2.131 20 0 DEADHO CC[C@@H](CN1CCCC1)NC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000675199973 541302164 /nfs/dbraw/zinc/30/21/64/541302164.db2.gz ORCLTUKHZUGMQG-SJORKVTESA-N 1 3 324.513 2.138 20 0 DEADHO CC[C@@H](CN1CCCC1)NC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000675199973 541302167 /nfs/dbraw/zinc/30/21/67/541302167.db2.gz ORCLTUKHZUGMQG-SJORKVTESA-N 1 3 324.513 2.138 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CCN1CCCN(C[C@H]2CCCO2)CC1 ZINC000675497044 541346485 /nfs/dbraw/zinc/34/64/85/541346485.db2.gz UFBDXGFJDAMJOQ-QZTJIDSGSA-N 1 3 309.498 2.048 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CCN1CCCN(C[C@H]2CCCO2)CC1 ZINC000675497044 541346486 /nfs/dbraw/zinc/34/64/86/541346486.db2.gz UFBDXGFJDAMJOQ-QZTJIDSGSA-N 1 3 309.498 2.048 20 0 DEADHO CC(C)[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CCN1 ZINC000621158615 364287007 /nfs/dbraw/zinc/28/70/07/364287007.db2.gz UBKAJYHWWILCPJ-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CCN1 ZINC000621158615 364287008 /nfs/dbraw/zinc/28/70/08/364287008.db2.gz UBKAJYHWWILCPJ-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO CN(C)C[C@H]1CN(C(=O)CCCC[NH+](C)C)c2ccccc2O1 ZINC000675512456 541349747 /nfs/dbraw/zinc/34/97/47/541349747.db2.gz PBTVYCJOPJQNSX-HNNXBMFYSA-N 1 3 319.449 2.074 20 0 DEADHO O=C(CC[C@@H]1CCC[NH2+]C1)N1CCC[C@@H]1CN1CCCCC1 ZINC000621642173 364487139 /nfs/dbraw/zinc/48/71/39/364487139.db2.gz GUZYSUJFNWVOTD-DLBZAZTESA-N 1 3 307.482 2.243 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000622096096 364661677 /nfs/dbraw/zinc/66/16/77/364661677.db2.gz VUEOIDCOGVLQAS-HOTGVXAUSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000622096096 364661679 /nfs/dbraw/zinc/66/16/79/364661679.db2.gz VUEOIDCOGVLQAS-HOTGVXAUSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H]([NH2+][C@H]1CCCN(C)C1)c1ccc(OCCN(C)C)cc1 ZINC000675765659 541380922 /nfs/dbraw/zinc/38/09/22/541380922.db2.gz DNNQIJYSWPFZLK-RDJZCZTQSA-N 1 3 305.466 2.372 20 0 DEADHO CC[C@@H](C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)N(C)C ZINC000675780752 541382583 /nfs/dbraw/zinc/38/25/83/541382583.db2.gz OKSTZCFBVJGDKH-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@H](NC(=O)NC[C@@H]1CCN1C1CCCC1)C1CC[NH+](C)CC1 ZINC000623723793 365148135 /nfs/dbraw/zinc/14/81/35/365148135.db2.gz DUNHQBLVLBORGA-YOEHRIQHSA-N 1 3 322.497 2.033 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCC(C)(F)F ZINC000624651047 365502735 /nfs/dbraw/zinc/50/27/35/365502735.db2.gz HHVPPDXUTNOSEX-AWEZNQCLSA-N 1 3 319.440 2.296 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCC(C)(F)F ZINC000624651047 365502740 /nfs/dbraw/zinc/50/27/40/365502740.db2.gz HHVPPDXUTNOSEX-AWEZNQCLSA-N 1 3 319.440 2.296 20 0 DEADHO N[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c2ccccc21 ZINC000629534995 367240477 /nfs/dbraw/zinc/24/04/77/367240477.db2.gz BTFFNLPMGWDEQH-KONPQCLYSA-N 1 3 311.385 2.352 20 0 DEADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3cc(CO)ccc3F)C2)C1 ZINC000629541659 367241968 /nfs/dbraw/zinc/24/19/68/367241968.db2.gz YNFNHHOKCVRSIC-LESCRADOSA-N 1 3 322.424 2.036 20 0 DEADHO CN(CCOCC[NH3+])Cc1ccc(OCc2ccncc2)cc1 ZINC000629578104 367258153 /nfs/dbraw/zinc/25/81/53/367258153.db2.gz MIFADVLXNRKNCU-UHFFFAOYSA-N 1 3 315.417 2.068 20 0 DEADHO O[C@H](C[NH2+][C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)CN1CCCC1 ZINC000629579129 367258975 /nfs/dbraw/zinc/25/89/75/367258975.db2.gz YXEHWMPLWJOQEO-DVOMOZLQSA-N 1 3 312.816 2.381 20 0 DEADHO O[C@@H](CNCCn1ccc2cc(Cl)ccc21)C[NH+]1CCCC1 ZINC000629581178 367260970 /nfs/dbraw/zinc/26/09/70/367260970.db2.gz QIETUPQXDULJPV-INIZCTEOSA-N 1 3 321.852 2.341 20 0 DEADHO C[C@H]([NH2+]C[C@@H]1CCNC(=O)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000450729455 242154198 /nfs/dbraw/zinc/15/41/98/242154198.db2.gz SFXCVSNWWOZKKF-HRCADAONSA-N 1 3 307.482 2.145 20 0 DEADHO CN1CCN(CC2(C)CC[NH+](CC3CC(F)(F)C3)CC2)CC1 ZINC000450743497 242163686 /nfs/dbraw/zinc/16/36/86/242163686.db2.gz HMVBAWJERNVHAS-UHFFFAOYSA-N 1 3 315.452 2.381 20 0 DEADHO CCC[C@](C)([NH3+])C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000262015885 284004467 /nfs/dbraw/zinc/00/44/67/284004467.db2.gz WZPJMIMTPSJTDG-AEFFLSMTSA-N 1 3 303.450 2.457 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCCc3ncccc32)CC1 ZINC000631570592 368291864 /nfs/dbraw/zinc/29/18/64/368291864.db2.gz RZVOBILMAPVCDZ-MAUKXSAKSA-N 1 3 302.466 2.075 20 0 DEADHO CC[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc(OC)c1OC ZINC000631581591 368296175 /nfs/dbraw/zinc/29/61/75/368296175.db2.gz HIKJDBDWBCEALR-HNNXBMFYSA-N 1 3 322.449 2.201 20 0 DEADHO Cc1ccc2ncc(CN3CC[C@H](n4cc(C[NH3+])nn4)C3)cc2c1 ZINC000631844648 368420119 /nfs/dbraw/zinc/42/01/19/368420119.db2.gz KUFTVPIWKVTZCG-KRWDZBQOSA-N 1 3 322.416 2.040 20 0 DEADHO CN1CCCN(CCC[NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000678074268 541674280 /nfs/dbraw/zinc/67/42/80/541674280.db2.gz GAHJVQALQKZHLI-MOPGFXCFSA-N 1 3 301.478 2.407 20 0 DEADHO CN1CCC[C@H]2C[N@H+](Cc3ccccc3-n3cncn3)CC[C@H]21 ZINC000678340734 541714958 /nfs/dbraw/zinc/71/49/58/541714958.db2.gz VOJOQZNXISXMPS-DOTOQJQBSA-N 1 3 311.433 2.183 20 0 DEADHO CN1CCC[C@H]2C[N@@H+](Cc3ccccc3-n3cncn3)CC[C@H]21 ZINC000678340734 541714960 /nfs/dbraw/zinc/71/49/60/541714960.db2.gz VOJOQZNXISXMPS-DOTOQJQBSA-N 1 3 311.433 2.183 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000261798732 203120209 /nfs/dbraw/zinc/12/02/09/203120209.db2.gz DVBFHWKBOPWYOF-RHSMWYFYSA-N 1 3 303.450 2.316 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])C1)c1ccsc1 ZINC000262677046 203376990 /nfs/dbraw/zinc/37/69/90/203376990.db2.gz SYRSVEGZUFBQIN-AEGPPILISA-N 1 3 309.479 2.375 20 0 DEADHO C[C@H](CC[NH+](C)C)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000264862462 204218661 /nfs/dbraw/zinc/21/86/61/204218661.db2.gz FEIPWJLJRVGCJP-MRXNPFEDSA-N 1 3 317.477 2.355 20 0 DEADHO CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000680878026 542060548 /nfs/dbraw/zinc/06/05/48/542060548.db2.gz SUEUKBDATCQSDE-QGZVFWFLSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H](c1ccncc1)N1CCC([NH2+][C@H]2CNCC[C@H]2C)CC1 ZINC000422963207 296243949 /nfs/dbraw/zinc/24/39/49/296243949.db2.gz FHOBCDCVOAPMNL-VKJFTORMSA-N 1 3 302.466 2.195 20 0 DEADHO C[C@@H](c1ccncc1)N1CCC(N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422963207 296243950 /nfs/dbraw/zinc/24/39/50/296243950.db2.gz FHOBCDCVOAPMNL-VKJFTORMSA-N 1 3 302.466 2.195 20 0 DEADHO C[NH+](C)CC1CCN(C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000492508421 249078582 /nfs/dbraw/zinc/07/85/82/249078582.db2.gz KNPHOGADTDAUCE-KRWDZBQOSA-N 1 3 317.433 2.285 20 0 DEADHO CCN(CC)[C@H](CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])c1ccccc1 ZINC000422730233 284824844 /nfs/dbraw/zinc/82/48/44/284824844.db2.gz JKYXRLSDMIJZEY-JCHJZTRSSA-N 1 3 319.493 2.411 20 0 DEADHO COC[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)C(C)C ZINC000268907589 207076404 /nfs/dbraw/zinc/07/64/04/207076404.db2.gz SFUVTNSUZGYJCI-GOSISDBHSA-N 1 3 308.466 2.430 20 0 DEADHO Cc1cccc(OC[C@H](O)CN2CCC(CC[NH+](C)C)CC2)c1 ZINC000056523105 184015211 /nfs/dbraw/zinc/01/52/11/184015211.db2.gz DUZYIUFWDWAQHI-GOSISDBHSA-N 1 3 320.477 2.398 20 0 DEADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1cccc(CN(C)C)c1 ZINC000066179521 184395206 /nfs/dbraw/zinc/39/52/06/184395206.db2.gz XHSBZIGSHJDURS-OAHLLOKOSA-N 1 3 320.481 2.278 20 0 DEADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1cccc(CN(C)C)c1 ZINC000066179521 184395208 /nfs/dbraw/zinc/39/52/08/184395208.db2.gz XHSBZIGSHJDURS-OAHLLOKOSA-N 1 3 320.481 2.278 20 0 DEADHO CCC[C@H](N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000269252095 207390803 /nfs/dbraw/zinc/39/08/03/207390803.db2.gz HKUAMLCHDOSQCX-BHYGNILZSA-N 1 3 303.450 2.141 20 0 DEADHO CCC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000269252095 207390809 /nfs/dbraw/zinc/39/08/09/207390809.db2.gz HKUAMLCHDOSQCX-BHYGNILZSA-N 1 3 303.450 2.141 20 0 DEADHO C[NH2+]CCCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000269252060 207393865 /nfs/dbraw/zinc/39/38/65/207393865.db2.gz HGAQFFWOSPCSSK-NVXWUHKLSA-N 1 3 303.450 2.013 20 0 DEADHO C[C@@H]([NH3+])C[C@H](C)NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000422936040 532963657 /nfs/dbraw/zinc/96/36/57/532963657.db2.gz HTQVJFRIHYMABU-CABCVRRESA-N 1 3 324.900 2.177 20 0 DEADHO COCCN1CCC([NH2+][C@@H](CN(C)C)c2ccc(F)cc2)CC1 ZINC000348412988 285012973 /nfs/dbraw/zinc/01/29/73/285012973.db2.gz OOOCYLPRUPEIAY-SFHVURJKSA-N 1 3 323.456 2.129 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000158988523 197317252 /nfs/dbraw/zinc/31/72/52/197317252.db2.gz UJFISTCEXMIZLN-HNNXBMFYSA-N 1 3 314.518 2.334 20 0 DEADHO CC[N@H+](CCC1CCN([C@H]2CCCN(C)C2=O)CC1)CC1CC1 ZINC000540911656 285137063 /nfs/dbraw/zinc/13/70/63/285137063.db2.gz NHPGIBVLADVVSO-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+](CCC1CCN([C@H]2CCCN(C)C2=O)CC1)CC1CC1 ZINC000540911656 285137065 /nfs/dbraw/zinc/13/70/65/285137065.db2.gz NHPGIBVLADVVSO-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000420827337 296384563 /nfs/dbraw/zinc/38/45/63/296384563.db2.gz VIQGFQGNZZRLSI-CVEARBPZSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000420827337 296384566 /nfs/dbraw/zinc/38/45/66/296384566.db2.gz VIQGFQGNZZRLSI-CVEARBPZSA-N 1 3 324.513 2.233 20 0 DEADHO COc1cc([C@H](C)[NH2+][C@@H]2CCCCC[C@@H]2N)ccc1OCCO ZINC000422970880 533131047 /nfs/dbraw/zinc/13/10/47/533131047.db2.gz HIHBHCIRGVUVPV-CWRNSKLLSA-N 1 3 322.449 2.377 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000351904838 285196642 /nfs/dbraw/zinc/19/66/42/285196642.db2.gz QBZBGZPPGYUUFO-DOTOQJQBSA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433918216 285204463 /nfs/dbraw/zinc/20/44/63/285204463.db2.gz HQARXOQIKJEHML-DLBZAZTESA-N 1 3 322.497 2.177 20 0 DEADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433918216 285204464 /nfs/dbraw/zinc/20/44/64/285204464.db2.gz HQARXOQIKJEHML-DLBZAZTESA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)[C@@H](C)O1 ZINC000294685489 224167641 /nfs/dbraw/zinc/16/76/41/224167641.db2.gz FOVKKWGZIBECDV-SPYBWZPUSA-N 1 3 318.461 2.299 20 0 DEADHO CCOCC[C@@H](O)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000683518812 542463398 /nfs/dbraw/zinc/46/33/98/542463398.db2.gz TUQZWNMTOJKXLH-GOSISDBHSA-N 1 3 312.498 2.362 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CC[NH2+][C@@H]2C(C)C)N(C)C)cc1 ZINC000289583319 221083815 /nfs/dbraw/zinc/08/38/15/221083815.db2.gz APKJOBXSOJRLDT-FGTMMUONSA-N 1 3 317.477 2.348 20 0 DEADHO NC[C@H](NC(=O)CC[C@@H]1CCC[NH2+]1)c1ccc2ccccc2c1 ZINC000294917417 224309549 /nfs/dbraw/zinc/30/95/49/224309549.db2.gz FJSDJOILEFXPHE-ROUUACIJSA-N 1 3 311.429 2.488 20 0 DEADHO CN1CCC(N2CC[C@@H]([NH2+]Cc3cc4ccccc4[nH]3)C2)CC1 ZINC000683927093 542519462 /nfs/dbraw/zinc/51/94/62/542519462.db2.gz KURATASBDMMSLY-MRXNPFEDSA-N 1 3 312.461 2.426 20 0 DEADHO C[C@H](C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)[C@@H](N)c1ccccc1 ZINC000294974586 224351379 /nfs/dbraw/zinc/35/13/79/224351379.db2.gz JIMFNXRXOKQTLZ-JCGIZDLHSA-N 1 3 315.461 2.171 20 0 DEADHO NC[C@H](NC(=O)[C@@H]1CC12CC[NH2+]CC2)c1ccc2ccccc2c1 ZINC000295042114 224398240 /nfs/dbraw/zinc/39/82/40/224398240.db2.gz OWCWHINGMALRAG-ROUUACIJSA-N 1 3 323.440 2.346 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)N(C)CCC[NH3+])c1ccccc1 ZINC000561197088 291955251 /nfs/dbraw/zinc/95/52/51/291955251.db2.gz OXIDORMHQAWQGO-AWEZNQCLSA-N 1 3 306.454 2.106 20 0 DEADHO C(C[NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1)COC[C@H]1CCCO1 ZINC000316121031 533366683 /nfs/dbraw/zinc/36/66/83/533366683.db2.gz LPAVTXSKFMELCZ-XDNAFOTISA-N 1 3 310.482 2.473 20 0 DEADHO C[C@@H](NCc1ccc(OCCN(C)C)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422896812 533448195 /nfs/dbraw/zinc/44/81/95/533448195.db2.gz IPNXXNRAPQKYFI-QAPCUYQASA-N 1 3 305.466 2.247 20 0 DEADHO COc1ccc(CCN[C@@H](C)C2C[NH2+]C2)cc1OC(F)F ZINC000422878892 533498220 /nfs/dbraw/zinc/49/82/20/533498220.db2.gz LEIOQVJCGZIUKE-JTQLQIEISA-N 1 3 300.349 2.037 20 0 DEADHO COc1ccc(CC[NH2+][C@@H](C)C2CNC2)cc1OC(F)F ZINC000422878892 533498223 /nfs/dbraw/zinc/49/82/23/533498223.db2.gz LEIOQVJCGZIUKE-JTQLQIEISA-N 1 3 300.349 2.037 20 0 DEADHO C[C@H](NC(=O)N1CCC[C@H]1CN1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000418338475 533587965 /nfs/dbraw/zinc/58/79/65/533587965.db2.gz JWZPOQXKGNDMES-ULQDDVLXSA-N 1 3 322.497 2.034 20 0 DEADHO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C1 ZINC000684393450 542599661 /nfs/dbraw/zinc/59/96/61/542599661.db2.gz JUKQSBGSONSDJW-GBESFXJTSA-N 1 3 318.461 2.300 20 0 DEADHO COC1(C[N@H+](C)[C@@H]2CCN(C3CCN(C)CC3)C2)CCCCC1 ZINC000685457588 542727427 /nfs/dbraw/zinc/72/74/27/542727427.db2.gz FXBHWOPBDODLAP-GOSISDBHSA-N 1 3 323.525 2.436 20 0 DEADHO COC1(C[N@@H+](C)[C@@H]2CCN(C3CCN(C)CC3)C2)CCCCC1 ZINC000685457588 542727431 /nfs/dbraw/zinc/72/74/31/542727431.db2.gz FXBHWOPBDODLAP-GOSISDBHSA-N 1 3 323.525 2.436 20 0 DEADHO CCc1ncc(CN(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000685457410 542727521 /nfs/dbraw/zinc/72/75/21/542727521.db2.gz BVBOHMFIQSWDIL-OAHLLOKOSA-N 1 3 322.522 2.306 20 0 DEADHO Cc1cc(C[NH+]2CCC(C(=O)NCCN(C)C)CC2)c(C)s1 ZINC000195519332 132549397 /nfs/dbraw/zinc/54/93/97/132549397.db2.gz SKXOJJLKWDAQDQ-UHFFFAOYSA-N 1 3 323.506 2.255 20 0 DEADHO CCCN(C)CC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000355570306 133034811 /nfs/dbraw/zinc/03/48/11/133034811.db2.gz DZURLPPHCICULW-UHFFFAOYSA-N 1 3 317.477 2.451 20 0 DEADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(C(=O)NC2CC2)c1 ZINC000358027398 133116389 /nfs/dbraw/zinc/11/63/89/133116389.db2.gz RCXIUJISKHYOKL-HBUWYVDXSA-N 1 3 315.461 2.397 20 0 DEADHO C[C@@H](NC(=O)NCCN(C)C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358119027 133122447 /nfs/dbraw/zinc/12/24/47/133122447.db2.gz VSNBEMNZMSUWKE-HUUCEWRRSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](NC(=O)NCCN(C)C1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358119027 133122448 /nfs/dbraw/zinc/12/24/48/133122448.db2.gz VSNBEMNZMSUWKE-HUUCEWRRSA-N 1 3 322.497 2.033 20 0 DEADHO Fc1ccc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000562956624 292019229 /nfs/dbraw/zinc/01/92/29/292019229.db2.gz IAICSEFVEKPEGR-IAOVAPTHSA-N 1 3 310.388 2.254 20 0 DEADHO CCN1CCC(NC(=O)C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)CC1 ZINC000360199617 133168573 /nfs/dbraw/zinc/16/85/73/133168573.db2.gz MVXXRJRYEHMTJC-USXIJHARSA-N 1 3 307.482 2.097 20 0 DEADHO CCN1CCC(NC(=O)C[N@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)CC1 ZINC000360199617 133168574 /nfs/dbraw/zinc/16/85/74/133168574.db2.gz MVXXRJRYEHMTJC-USXIJHARSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)CN(C(=O)C1CC[NH+](C2CC2)CC1)C1CCN(C)CC1 ZINC000362247458 133219906 /nfs/dbraw/zinc/21/99/06/133219906.db2.gz DAYLNTXUIJDKEN-UHFFFAOYSA-N 1 3 321.509 2.440 20 0 DEADHO COC[C@H](O)CNCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000562985560 292021928 /nfs/dbraw/zinc/02/19/28/292021928.db2.gz BDVBLSNBQOHWBE-GOSISDBHSA-N 1 3 306.450 2.160 20 0 DEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000372484538 133355523 /nfs/dbraw/zinc/35/55/23/133355523.db2.gz KAPQRGCGPHVDLD-ROUUACIJSA-N 1 3 317.477 2.055 20 0 DEADHO CCOC(=O)C1(C[NH2+]C2CCN(c3ccncc3)CC2)CCC1 ZINC000563110645 292032265 /nfs/dbraw/zinc/03/22/65/292032265.db2.gz DXKPUWRQLZZGFF-UHFFFAOYSA-N 1 3 317.433 2.373 20 0 DEADHO C[C@H]([NH3+])[C@H](C)C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000563208467 292039440 /nfs/dbraw/zinc/03/94/40/292039440.db2.gz YFIYPZYVKVOVAO-GJZGRUSLSA-N 1 3 318.465 2.130 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CN1C1CC1 ZINC000563380956 292051687 /nfs/dbraw/zinc/05/16/87/292051687.db2.gz IJTWPBKJSHIZST-WMLDXEAASA-N 1 3 315.461 2.146 20 0 DEADHO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000192606690 145076825 /nfs/dbraw/zinc/07/68/25/145076825.db2.gz HACLXTWHDRBCAV-BEFAXECRSA-N 1 3 318.461 2.158 20 0 DEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCCN2C)C1 ZINC000247501278 145139133 /nfs/dbraw/zinc/13/91/33/145139133.db2.gz NPBCOUPBFCOQNA-HZPDHXFCSA-N 1 3 324.513 2.280 20 0 DEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCCN2C)C1 ZINC000247501278 145139134 /nfs/dbraw/zinc/13/91/34/145139134.db2.gz NPBCOUPBFCOQNA-HZPDHXFCSA-N 1 3 324.513 2.280 20 0 DEADHO COCC[C@](C)(O)CNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000248176680 145150237 /nfs/dbraw/zinc/15/02/37/145150237.db2.gz VRRITLXJJNGJPL-JQHSSLGASA-N 1 3 312.498 2.407 20 0 DEADHO COCC[C@](C)(O)C[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000248176680 145150239 /nfs/dbraw/zinc/15/02/39/145150239.db2.gz VRRITLXJJNGJPL-JQHSSLGASA-N 1 3 312.498 2.407 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000252538018 145199308 /nfs/dbraw/zinc/19/93/08/145199308.db2.gz BXOAJRQWXIGADI-BBWFWOEESA-N 1 3 322.497 2.129 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000252538018 145199309 /nfs/dbraw/zinc/19/93/09/145199309.db2.gz BXOAJRQWXIGADI-BBWFWOEESA-N 1 3 322.497 2.129 20 0 DEADHO CSc1ccccc1NC(=O)CCN1CC[C@](C)(C[NH3+])C1 ZINC000261685551 145216005 /nfs/dbraw/zinc/21/60/05/145216005.db2.gz KJUDGGJVPRXJPP-MRXNPFEDSA-N 1 3 307.463 2.408 20 0 DEADHO CSc1ccccc1NC(=O)CC[N@@H+]1CC[C@](C)(CN)C1 ZINC000261685551 145216008 /nfs/dbraw/zinc/21/60/08/145216008.db2.gz KJUDGGJVPRXJPP-MRXNPFEDSA-N 1 3 307.463 2.408 20 0 DEADHO CSc1ccccc1NC(=O)CC[N@H+]1CC[C@](C)(CN)C1 ZINC000261685551 145216011 /nfs/dbraw/zinc/21/60/11/145216011.db2.gz KJUDGGJVPRXJPP-MRXNPFEDSA-N 1 3 307.463 2.408 20 0 DEADHO Cn1cc(-c2ccc(CN3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)s2)cn1 ZINC000261784010 145226050 /nfs/dbraw/zinc/22/60/50/145226050.db2.gz FRGBUJYBVIQIKQ-NILFDRSVSA-N 1 3 302.447 2.318 20 0 DEADHO C[C@H]([NH3+])CC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000261788468 145226781 /nfs/dbraw/zinc/22/67/81/145226781.db2.gz KCYYEBHKUCGPHG-ZOBUZTSGSA-N 1 3 303.450 2.235 20 0 DEADHO C[NH2+]CC1CCN(Cc2c(C)nn(-c3ccccn3)c2C)CC1 ZINC000261978072 145249163 /nfs/dbraw/zinc/24/91/63/145249163.db2.gz RAHKEEBAVAKZPE-UHFFFAOYSA-N 1 3 313.449 2.316 20 0 DEADHO C[C@@H](C(=O)N1CCC(C[NH+](C)C)CC1)[C@H](N)c1ccccc1 ZINC000262141558 145265491 /nfs/dbraw/zinc/26/54/91/145265491.db2.gz MLEKNTSDNVIWOR-PBHICJAKSA-N 1 3 303.450 2.123 20 0 DEADHO O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000309748651 145350899 /nfs/dbraw/zinc/35/08/99/145350899.db2.gz VHTJWYSEPOKPKW-KRWDZBQOSA-N 1 3 315.461 2.014 20 0 DEADHO CN[C@@H](C)C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000565213736 292146970 /nfs/dbraw/zinc/14/69/70/292146970.db2.gz FAMSRUDLRIKYHZ-XHSDSOJGSA-N 1 3 317.477 2.389 20 0 DEADHO CN[C@@H](C)C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000565213736 292146972 /nfs/dbraw/zinc/14/69/72/292146972.db2.gz FAMSRUDLRIKYHZ-XHSDSOJGSA-N 1 3 317.477 2.389 20 0 DEADHO C[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)[C@@H]1CCCO1 ZINC000346545456 146099202 /nfs/dbraw/zinc/09/92/02/146099202.db2.gz APWIFZAQYSJKKZ-QAPCUYQASA-N 1 3 306.450 2.327 20 0 DEADHO C[NH2+]CCC1CCN(Cc2cn(C)nc2-c2cccnc2)CC1 ZINC000346678699 146123414 /nfs/dbraw/zinc/12/34/14/146123414.db2.gz LRFIXWNLXSHAQR-UHFFFAOYSA-N 1 3 313.449 2.304 20 0 DEADHO C[NH2+]CCC1CCN(Cc2ccc(OCC(=O)OC)cc2)CC1 ZINC000346683534 146123576 /nfs/dbraw/zinc/12/35/76/146123576.db2.gz OXICDIQJVCWBOA-UHFFFAOYSA-N 1 3 320.433 2.060 20 0 DEADHO Cc1ccc(NC(=O)[C@H]2CCCN(C[C@@H]3CCC[NH2+]C3)C2)nc1 ZINC000346848910 146152645 /nfs/dbraw/zinc/15/26/45/146152645.db2.gz FONQWCPXFBFJOK-CVEARBPZSA-N 1 3 316.449 2.040 20 0 DEADHO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](C[C@@H]3CCCNC3)C2)nc1 ZINC000346848910 146152646 /nfs/dbraw/zinc/15/26/46/146152646.db2.gz FONQWCPXFBFJOK-CVEARBPZSA-N 1 3 316.449 2.040 20 0 DEADHO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](C[C@@H]3CCCNC3)C2)nc1 ZINC000346848910 146152648 /nfs/dbraw/zinc/15/26/48/146152648.db2.gz FONQWCPXFBFJOK-CVEARBPZSA-N 1 3 316.449 2.040 20 0 DEADHO CCn1cc(CCN2CCC(OCC[NH+](CC)CC)CC2)cn1 ZINC000348256838 146242993 /nfs/dbraw/zinc/24/29/93/146242993.db2.gz PAKRZQARKTZJFY-UHFFFAOYSA-N 1 3 322.497 2.268 20 0 DEADHO C[C@H](C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)[C@H](N)c1ccccc1 ZINC000349003505 146339100 /nfs/dbraw/zinc/33/91/00/146339100.db2.gz QTPSLJQERSOISZ-PNPHSEOMSA-N 1 3 324.428 2.172 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1c(C)noc1C ZINC000349073842 146346740 /nfs/dbraw/zinc/34/67/40/146346740.db2.gz LNFXAPQOCCUNEX-MRXNPFEDSA-N 1 3 308.470 2.139 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1c(C)noc1C ZINC000349073842 146346742 /nfs/dbraw/zinc/34/67/42/146346742.db2.gz LNFXAPQOCCUNEX-MRXNPFEDSA-N 1 3 308.470 2.139 20 0 DEADHO [NH3+]CCOCCN1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000357078692 147037200 /nfs/dbraw/zinc/03/72/00/147037200.db2.gz RTSLUEGNPHNWSJ-LBPRGKRZSA-N 1 3 300.805 2.461 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000357241356 147071154 /nfs/dbraw/zinc/07/11/54/147071154.db2.gz KRTAAVVMDCOLMF-LZLYRXPVSA-N 1 3 307.482 2.147 20 0 DEADHO C[C@H](CC(=O)NC[C@H]1NCCc2ccccc21)C1CC[NH2+]CC1 ZINC000357245496 147072041 /nfs/dbraw/zinc/07/20/41/147072041.db2.gz UWMIAWKRLNBDLM-RDTXWAMCSA-N 1 3 315.461 2.015 20 0 DEADHO C[C@@H](NC(C)(C)CNC(=O)[C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000357254046 147073650 /nfs/dbraw/zinc/07/36/50/147073650.db2.gz YJBOYSDDXGEOSK-UONOGXRCSA-N 1 3 303.450 2.088 20 0 DEADHO C[C@H](NC(=O)[C@H](C)N1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000358514765 147148760 /nfs/dbraw/zinc/14/87/60/147148760.db2.gz XOVDPITXXZYSEF-HOTGVXAUSA-N 1 3 315.461 2.328 20 0 DEADHO C[C@@H](CN(C)C)NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000358537116 147151897 /nfs/dbraw/zinc/15/18/97/147151897.db2.gz ZESQBDQMKGLNQC-DLBZAZTESA-N 1 3 324.513 2.090 20 0 DEADHO COCCN1CC[C@H](NC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000358722964 147190875 /nfs/dbraw/zinc/19/08/75/147190875.db2.gz LMHKUMLUVGADBY-NZSAHSFTSA-N 1 3 323.525 2.340 20 0 DEADHO C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H](CN)c2ccc(F)cc2)cc1 ZINC000358744315 147195247 /nfs/dbraw/zinc/19/52/47/147195247.db2.gz NSFKNPCMWDKRAT-PXAZEXFGSA-N 1 3 315.392 2.204 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)[C@H](CN)c2ccc(F)cc2)CC1 ZINC000358885058 147224253 /nfs/dbraw/zinc/22/42/53/147224253.db2.gz NXQKIYGMZHUAPX-QGZVFWFLSA-N 1 3 321.440 2.249 20 0 DEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000359345508 147311157 /nfs/dbraw/zinc/31/11/57/147311157.db2.gz BHIHYLHXFFQVEB-HUUCEWRRSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000359345508 147311160 /nfs/dbraw/zinc/31/11/60/147311160.db2.gz BHIHYLHXFFQVEB-HUUCEWRRSA-N 1 3 322.497 2.033 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]C[C@H]2CCCN2CC)[C@@H](C)C1 ZINC000359574551 147354739 /nfs/dbraw/zinc/35/47/39/147354739.db2.gz BHMBHYKJESDISH-KSZLIROESA-N 1 3 311.514 2.197 20 0 DEADHO Cc1ccc(S(=O)(=O)C[C@@H](C)NC2CCC([NH3+])CC2)cc1 ZINC000415094863 292171059 /nfs/dbraw/zinc/17/10/59/292171059.db2.gz FSZSXXXIGKTRQG-WLYUNCDWSA-N 1 3 310.463 2.017 20 0 DEADHO Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000415093930 292171609 /nfs/dbraw/zinc/17/16/09/292171609.db2.gz CVVHTMWNHHGCNH-PMPSAXMXSA-N 1 3 324.490 2.135 20 0 DEADHO C[C@@H]1CC(C(=O)N(CC[NH3+])CCc2ccccc2)C[C@@H](C)O1 ZINC000565659801 292175523 /nfs/dbraw/zinc/17/55/23/292175523.db2.gz HEWSEVSHHBIGCC-HUUCEWRRSA-N 1 3 304.434 2.220 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000370679136 148043620 /nfs/dbraw/zinc/04/36/20/148043620.db2.gz LDAPNDZPTNWOSD-ZWKOTPCHSA-N 1 3 317.477 2.355 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000370679136 148043621 /nfs/dbraw/zinc/04/36/21/148043621.db2.gz LDAPNDZPTNWOSD-ZWKOTPCHSA-N 1 3 317.477 2.355 20 0 DEADHO COc1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000370697287 148045954 /nfs/dbraw/zinc/04/59/54/148045954.db2.gz KCSIBRPASHAKIR-LPHOPBHVSA-N 1 3 317.477 2.153 20 0 DEADHO COc1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000370697287 148045955 /nfs/dbraw/zinc/04/59/55/148045955.db2.gz KCSIBRPASHAKIR-LPHOPBHVSA-N 1 3 317.477 2.153 20 0 DEADHO COc1ccccc1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000370698007 148046336 /nfs/dbraw/zinc/04/63/36/148046336.db2.gz MLIOIDHOFKUJNO-WMZOPIPTSA-N 1 3 317.477 2.153 20 0 DEADHO COc1ccccc1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000370698007 148046337 /nfs/dbraw/zinc/04/63/37/148046337.db2.gz MLIOIDHOFKUJNO-WMZOPIPTSA-N 1 3 317.477 2.153 20 0 DEADHO COC[C@@H]1CCCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000374293511 148227124 /nfs/dbraw/zinc/22/71/24/148227124.db2.gz PTAQKOXKMVNKEM-GOSISDBHSA-N 1 3 311.514 2.151 20 0 DEADHO COC[C@@H]1CCCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000374293511 148227126 /nfs/dbraw/zinc/22/71/26/148227126.db2.gz PTAQKOXKMVNKEM-GOSISDBHSA-N 1 3 311.514 2.151 20 0 DEADHO Cc1nccn1CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000566089458 292203905 /nfs/dbraw/zinc/20/39/05/292203905.db2.gz ZFLYZVYXPCEZQE-AEFFLSMTSA-N 1 3 312.417 2.037 20 0 DEADHO CCC[NH+]1CCC(CNC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC000074250599 401733836 /nfs/dbraw/zinc/73/38/36/401733836.db2.gz JLOKTBFLIRTKFD-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC=CCC1 ZINC000074331067 401735709 /nfs/dbraw/zinc/73/57/09/401735709.db2.gz QTKHYDNJRMLARB-DLBZAZTESA-N 1 3 322.497 2.153 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC=CCC1 ZINC000074331067 401735713 /nfs/dbraw/zinc/73/57/13/401735713.db2.gz QTKHYDNJRMLARB-DLBZAZTESA-N 1 3 322.497 2.153 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCC(=O)NCc1ccccc1 ZINC000129237099 401800608 /nfs/dbraw/zinc/80/06/08/401800608.db2.gz VZWLOALLICDJFD-VYDXJSESSA-N 1 3 303.450 2.011 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCC(=O)NCc1ccccc1 ZINC000129237099 401800611 /nfs/dbraw/zinc/80/06/11/401800611.db2.gz VZWLOALLICDJFD-VYDXJSESSA-N 1 3 303.450 2.011 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCC(=O)NCc1ccccc1 ZINC000129237520 401800632 /nfs/dbraw/zinc/80/06/32/401800632.db2.gz VZWLOALLICDJFD-HLLBOEOZSA-N 1 3 303.450 2.011 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCC(=O)NCc1ccccc1 ZINC000129237520 401800633 /nfs/dbraw/zinc/80/06/33/401800633.db2.gz VZWLOALLICDJFD-HLLBOEOZSA-N 1 3 303.450 2.011 20 0 DEADHO C[C@@H]([NH2+]CCc1cnn(C)c1)c1ccc(OCCN(C)C)cc1 ZINC000127788225 401750357 /nfs/dbraw/zinc/75/03/57/401750357.db2.gz OYOYZNUILRDGQL-OAHLLOKOSA-N 1 3 316.449 2.254 20 0 DEADHO CCCC[C@@H](COC)[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000128060505 401761420 /nfs/dbraw/zinc/76/14/20/401761420.db2.gz XMXNRFZZLVHAHI-KRWDZBQOSA-N 1 3 311.514 2.340 20 0 DEADHO CN(C)CCN1CCC([NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000128793120 401792156 /nfs/dbraw/zinc/79/21/56/401792156.db2.gz GRFLERYXBONTEH-UHFFFAOYSA-N 1 3 305.510 2.427 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000077803715 401832862 /nfs/dbraw/zinc/83/28/62/401832862.db2.gz GPQLNWQRKODMND-IKGGRYGDSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000077803715 401832864 /nfs/dbraw/zinc/83/28/64/401832864.db2.gz GPQLNWQRKODMND-IKGGRYGDSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)N(C)C[C@H]2CCCN(C)C2)CC1 ZINC000115792380 401837203 /nfs/dbraw/zinc/83/72/03/401837203.db2.gz CIXKFRVYXCPKNP-INIZCTEOSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000079293476 401871890 /nfs/dbraw/zinc/87/18/90/401871890.db2.gz ZABJYZSDNHOZKE-IAGOWNOFSA-N 1 3 322.497 2.131 20 0 DEADHO CCOC(=O)N1CCC([NH2+]CCCN2CCCC[C@@H]2C)CC1 ZINC000079065393 401869511 /nfs/dbraw/zinc/86/95/11/401869511.db2.gz RZLMBXMVZZCSRK-HNNXBMFYSA-N 1 3 311.470 2.461 20 0 DEADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](Cc1ccccc1)N(C)C ZINC000132897785 401876235 /nfs/dbraw/zinc/87/62/35/401876235.db2.gz GKEWMXVDONSXNL-RWQQGDIJSA-N 1 3 303.494 2.478 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H](Cc1ccccc1)N(C)C ZINC000132897785 401876237 /nfs/dbraw/zinc/87/62/37/401876237.db2.gz GKEWMXVDONSXNL-RWQQGDIJSA-N 1 3 303.494 2.478 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H](Cc1ccccc1)N(C)C ZINC000132897785 401876241 /nfs/dbraw/zinc/87/62/41/401876241.db2.gz GKEWMXVDONSXNL-RWQQGDIJSA-N 1 3 303.494 2.478 20 0 DEADHO [NH3+]CCCCNCc1cc2c(cc1Br)OCO2 ZINC000037715313 401916535 /nfs/dbraw/zinc/91/65/35/401916535.db2.gz PYOLJRUUFBFQHV-UHFFFAOYSA-N 1 3 301.184 2.006 20 0 DEADHO CC[N@@H+]1CC[C@H](NCCNC(=O)CC2CCCCC2)[C@H](C)C1 ZINC000089666314 401956907 /nfs/dbraw/zinc/95/69/07/401956907.db2.gz UAWGHNIDLSMZKT-WBVHZDCISA-N 1 3 309.498 2.393 20 0 DEADHO CC[N@H+]1CC[C@H](NCCNC(=O)CC2CCCCC2)[C@H](C)C1 ZINC000089666314 401956908 /nfs/dbraw/zinc/95/69/08/401956908.db2.gz UAWGHNIDLSMZKT-WBVHZDCISA-N 1 3 309.498 2.393 20 0 DEADHO CN(C)CCOc1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000120638165 401996827 /nfs/dbraw/zinc/99/68/27/401996827.db2.gz YQWFOTFYNFFCLD-QZTJIDSGSA-N 1 3 317.477 2.343 20 0 DEADHO CN(C)CCOc1ccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000120638165 401996828 /nfs/dbraw/zinc/99/68/28/401996828.db2.gz YQWFOTFYNFFCLD-QZTJIDSGSA-N 1 3 317.477 2.343 20 0 DEADHO CCC[C@@H]1CN(CC[NH+]2CCC(C)CC2)CCN1CCOC ZINC000121924163 402056401 /nfs/dbraw/zinc/05/64/01/402056401.db2.gz HTBCTZWOUMKFLV-GOSISDBHSA-N 1 3 311.514 2.151 20 0 DEADHO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000123701496 402142469 /nfs/dbraw/zinc/14/24/69/402142469.db2.gz KWCJPMOGHCJOAK-OAHLLOKOSA-N 1 3 305.466 2.485 20 0 DEADHO CCN(CC)C(=O)C[C@@H](C)NCc1cccc(C[NH+](C)C)c1 ZINC000123701496 402142472 /nfs/dbraw/zinc/14/24/72/402142472.db2.gz KWCJPMOGHCJOAK-OAHLLOKOSA-N 1 3 305.466 2.485 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000153988189 402185472 /nfs/dbraw/zinc/18/54/72/402185472.db2.gz UCYSVVUTCDNDHF-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO O=C(NCCC[NH2+]C1CC1)c1cccc(CN2CCCC2)c1 ZINC000566293840 292226538 /nfs/dbraw/zinc/22/65/38/292226538.db2.gz HHMYKBYCVCDBFY-UHFFFAOYSA-N 1 3 301.434 2.154 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103092091 402178387 /nfs/dbraw/zinc/17/83/87/402178387.db2.gz WZKXUOAWHQIXKW-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(CS(C)(=O)=O)cc1 ZINC000125739989 402248148 /nfs/dbraw/zinc/24/81/48/402248148.db2.gz ODNBPBQUMRWUPY-KEYYUXOJSA-N 1 3 324.490 2.050 20 0 DEADHO CN1CCC[C@@H](CNC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000108552895 402256953 /nfs/dbraw/zinc/25/69/53/402256953.db2.gz GZCFLIFVOSFSMS-INIZCTEOSA-N 1 3 324.513 2.282 20 0 DEADHO CN1CCC[C@@H](CNC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000108552895 402256957 /nfs/dbraw/zinc/25/69/57/402256957.db2.gz GZCFLIFVOSFSMS-INIZCTEOSA-N 1 3 324.513 2.282 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)NC[C@@H]2CCCN(C)C2)CC1 ZINC000108554189 402257242 /nfs/dbraw/zinc/25/72/42/402257242.db2.gz XQTXEHCAESBVJT-KRWDZBQOSA-N 1 3 324.513 2.140 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@@H]([NH3+])[C@@H](C)CC)N(C)C)cc1 ZINC000155605756 402262349 /nfs/dbraw/zinc/26/23/49/402262349.db2.gz XHKVWRZNHMPJRQ-JQFCIGGWSA-N 1 3 305.466 2.341 20 0 DEADHO CCC(CC)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000104802821 402205407 /nfs/dbraw/zinc/20/54/07/402205407.db2.gz CWELLJYUFDDMDX-UHFFFAOYSA-N 1 3 324.513 2.280 20 0 DEADHO COc1ccc2c(c1)[C@H]([NH2+]CCCCN1CCN(C)CC1)CC2 ZINC000154364998 402208657 /nfs/dbraw/zinc/20/86/57/402208657.db2.gz YZPYYPTXSTYPGP-LJQANCHMSA-N 1 3 317.477 2.300 20 0 DEADHO CC(C)n1cc([C@H](C)[NH2+]CCCCN2CCN(C)CC2)cn1 ZINC000154428440 402212508 /nfs/dbraw/zinc/21/25/08/402212508.db2.gz DJUGDGYMVKQFPA-INIZCTEOSA-N 1 3 307.486 2.142 20 0 DEADHO CCO[C@@H](CC[NH+](C)C)CNCc1ccc(C(C)(C)O)cc1 ZINC000295398905 286198108 /nfs/dbraw/zinc/19/81/08/286198108.db2.gz LWLNFLDOIHKRDT-KRWDZBQOSA-N 1 3 308.466 2.360 20 0 DEADHO C(CN(C[C@@H]1CCOC1)C1CC1)C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000157580247 402296704 /nfs/dbraw/zinc/29/67/04/402296704.db2.gz VFRFBCMRNZQCDV-IRXDYDNUSA-N 1 3 322.493 2.378 20 0 DEADHO C(CN(C[C@@H]1CCOC1)C1CC1)C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000157580247 402296707 /nfs/dbraw/zinc/29/67/07/402296707.db2.gz VFRFBCMRNZQCDV-IRXDYDNUSA-N 1 3 322.493 2.378 20 0 DEADHO O[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)c1ccsc1 ZINC000231980440 402356748 /nfs/dbraw/zinc/35/67/48/402356748.db2.gz JPKZZURNNDSZMB-MRXNPFEDSA-N 1 3 303.431 2.435 20 0 DEADHO Cc1cc(N2CCN(CCCOCC(F)(F)F)CC2)cc[nH+]1 ZINC000185905167 402388009 /nfs/dbraw/zinc/38/80/09/402388009.db2.gz DORRKPHDGGRUEI-UHFFFAOYSA-N 1 3 317.355 2.481 20 0 DEADHO CC(C)(C)[C@H](N)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000236686264 402374491 /nfs/dbraw/zinc/37/44/91/402374491.db2.gz HASHMQGSWMDEJP-MRXNPFEDSA-N 1 3 303.450 2.141 20 0 DEADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H](CN)c1ccccc1 ZINC000236855188 402386001 /nfs/dbraw/zinc/38/60/01/402386001.db2.gz HDBCPAWKMFTMFJ-NVXWUHKLSA-N 1 3 305.466 2.356 20 0 DEADHO C[NH2+]CCCC(=O)NCc1ccccc1CN1CCCCC1 ZINC000237182438 402398295 /nfs/dbraw/zinc/39/82/95/402398295.db2.gz XBKBAKRNCQIFGP-UHFFFAOYSA-N 1 3 303.450 2.288 20 0 DEADHO C[C@@H](CC(=O)N1CCN(C2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237361926 402405752 /nfs/dbraw/zinc/40/57/52/402405752.db2.gz BDBXQCOHXIBLRJ-JKSUJKDBSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)C2CC[NH2+]CC2)CC1 ZINC000237480971 402409588 /nfs/dbraw/zinc/40/95/88/402409588.db2.gz VZCAURGJXSZGEI-HNNXBMFYSA-N 1 3 315.461 2.328 20 0 DEADHO C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc([O-])cc(F)c2)CC1 ZINC000186218904 402412004 /nfs/dbraw/zinc/41/20/04/402412004.db2.gz XUTGWCWGQFYKNV-CYBMUJFWSA-N 1 3 310.413 2.056 20 0 DEADHO C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc([O-])cc(F)c2)CC1 ZINC000186218904 402412005 /nfs/dbraw/zinc/41/20/05/402412005.db2.gz XUTGWCWGQFYKNV-CYBMUJFWSA-N 1 3 310.413 2.056 20 0 DEADHO C[C@H](CC(=O)N1CCN(C2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000237563202 402413529 /nfs/dbraw/zinc/41/35/29/402413529.db2.gz BDBXQCOHXIBLRJ-CVEARBPZSA-N 1 3 307.482 2.099 20 0 DEADHO O=C(NC[C@H]1CCCN(Cc2cccs2)C1)C1CC[NH2+]CC1 ZINC000238007025 402431907 /nfs/dbraw/zinc/43/19/07/402431907.db2.gz AMPBDKVNVWQVIP-CQSZACIVSA-N 1 3 321.490 2.076 20 0 DEADHO CCCN1CCC([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000162841035 402434201 /nfs/dbraw/zinc/43/42/01/402434201.db2.gz YHCCQFHHHNTZLP-IAGOWNOFSA-N 1 3 311.514 2.340 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000177951910 402446605 /nfs/dbraw/zinc/44/66/05/402446605.db2.gz CODGXZDVKSTVHL-MRXNPFEDSA-N 1 3 317.477 2.446 20 0 DEADHO CC(C)[C@]1(C)C[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000185927758 402390284 /nfs/dbraw/zinc/39/02/84/402390284.db2.gz IFNHOMCQUUQEAA-HKUYNNGSSA-N 1 3 321.509 2.343 20 0 DEADHO C[C@H](CNC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C)C[NH+]1CCCCC1 ZINC000245203149 402452531 /nfs/dbraw/zinc/45/25/31/402452531.db2.gz ZWBMENPYTPUICQ-WCXIOVBPSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cnn(C)c1 ZINC000178033944 402454563 /nfs/dbraw/zinc/45/45/63/402454563.db2.gz UAWRLYAMTVJYBG-BFYDXBDKSA-N 1 3 308.470 2.350 20 0 DEADHO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H](N)C(C)C)cc1 ZINC000164812212 402469202 /nfs/dbraw/zinc/46/92/02/402469202.db2.gz UKQOUFYEXVGXHW-KRWDZBQOSA-N 1 3 321.465 2.007 20 0 DEADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000245559743 402470884 /nfs/dbraw/zinc/47/08/84/402470884.db2.gz BPCVTGQRTPDXOL-HZPDHXFCSA-N 1 3 313.449 2.393 20 0 DEADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000245559743 402470887 /nfs/dbraw/zinc/47/08/87/402470887.db2.gz BPCVTGQRTPDXOL-HZPDHXFCSA-N 1 3 313.449 2.393 20 0 DEADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000165894126 402479939 /nfs/dbraw/zinc/47/99/39/402479939.db2.gz LSOZBPZVQUCSCA-MSOLQXFVSA-N 1 3 315.461 2.157 20 0 DEADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccc2c(c1)OCO2 ZINC000166054808 402481328 /nfs/dbraw/zinc/48/13/28/402481328.db2.gz FVROXOQQQUEFQY-ZFWWWQNUSA-N 1 3 308.422 2.423 20 0 DEADHO Cc1ccc(NC(=O)CCNC2CC[NH+](CC3CC3)CC2)nc1 ZINC000167111118 402489567 /nfs/dbraw/zinc/48/95/67/402489567.db2.gz LYNNVMBGNLQDPP-UHFFFAOYSA-N 1 3 316.449 2.183 20 0 DEADHO Cc1ccc(NC(=O)CC[NH2+]C2CCN(CC3CC3)CC2)nc1 ZINC000167111118 402489568 /nfs/dbraw/zinc/48/95/68/402489568.db2.gz LYNNVMBGNLQDPP-UHFFFAOYSA-N 1 3 316.449 2.183 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000167538020 402491642 /nfs/dbraw/zinc/49/16/42/402491642.db2.gz DPJKFCHMLAUNSU-KBAYOESNSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)[C@]2(C)CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000167541935 402491649 /nfs/dbraw/zinc/49/16/49/402491649.db2.gz QDKHOPMQKLWQJU-VDZJLULYSA-N 1 3 315.461 2.155 20 0 DEADHO CSCC[C@@H](N)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000167622977 402492663 /nfs/dbraw/zinc/49/26/63/402492663.db2.gz AIEHOFBADNBSNA-UKRRQHHQSA-N 1 3 323.506 2.312 20 0 DEADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H](CN)c1ccccc1 ZINC000178818455 402543294 /nfs/dbraw/zinc/54/32/94/402543294.db2.gz APDLHXHHDDDXQK-IRXDYDNUSA-N 1 3 303.450 2.062 20 0 DEADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H](CN)c1ccccc1 ZINC000178818455 402543297 /nfs/dbraw/zinc/54/32/97/402543297.db2.gz APDLHXHHDDDXQK-IRXDYDNUSA-N 1 3 303.450 2.062 20 0 DEADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@H](C)C[NH2+]C ZINC000178845313 402546267 /nfs/dbraw/zinc/54/62/67/402546267.db2.gz AXDFUBGMOAGOBH-FUHWJXTLSA-N 1 3 317.477 2.213 20 0 DEADHO C[C@H](CCNC(=O)[C@@H](N)C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC000178857749 402547235 /nfs/dbraw/zinc/54/72/35/402547235.db2.gz IOPUBPXRBFHXKP-GDBMZVCRSA-N 1 3 305.466 2.387 20 0 DEADHO C[C@H](CCNC(=O)[C@@H](N)C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC000178857749 402547238 /nfs/dbraw/zinc/54/72/38/402547238.db2.gz IOPUBPXRBFHXKP-GDBMZVCRSA-N 1 3 305.466 2.387 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000246924740 402549679 /nfs/dbraw/zinc/54/96/79/402549679.db2.gz SSNFFPRVYMBANE-JKSUJKDBSA-N 1 3 312.502 2.088 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000246924740 402549682 /nfs/dbraw/zinc/54/96/82/402549682.db2.gz SSNFFPRVYMBANE-JKSUJKDBSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H]1CCC[C@@](CNC(=O)NC[C@H]2CCCN(C)C2)([NH+](C)C)C1 ZINC000247125901 402557339 /nfs/dbraw/zinc/55/73/39/402557339.db2.gz LPJARNRFWJQXPY-JFIYKMOQSA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)C1 ZINC000246364416 402527194 /nfs/dbraw/zinc/52/71/94/402527194.db2.gz HIPZYEXPDDWSRT-OAGGEKHMSA-N 1 3 322.497 2.031 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)C1 ZINC000246364416 402527197 /nfs/dbraw/zinc/52/71/97/402527197.db2.gz HIPZYEXPDDWSRT-OAGGEKHMSA-N 1 3 322.497 2.031 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000246632684 402539281 /nfs/dbraw/zinc/53/92/81/402539281.db2.gz OJQBKIGTNOCOJB-DJIMGWMZSA-N 1 3 303.450 2.265 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000246632684 402539282 /nfs/dbraw/zinc/53/92/82/402539282.db2.gz OJQBKIGTNOCOJB-DJIMGWMZSA-N 1 3 303.450 2.265 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000248215889 402584674 /nfs/dbraw/zinc/58/46/74/402584674.db2.gz ZQUVFGSFPBSPCN-APIJFGDWSA-N 1 3 311.470 2.314 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000248215889 402584675 /nfs/dbraw/zinc/58/46/75/402584675.db2.gz ZQUVFGSFPBSPCN-APIJFGDWSA-N 1 3 311.470 2.314 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000248489762 402593093 /nfs/dbraw/zinc/59/30/93/402593093.db2.gz NEILVTOELHUEJF-DLBZAZTESA-N 1 3 324.513 2.425 20 0 DEADHO CC[N@H+](C)C[C@H](O)CN(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000566416032 292236771 /nfs/dbraw/zinc/23/67/71/292236771.db2.gz LWRDSNHQKNZBFK-OKZBNKHCSA-N 1 3 324.440 2.290 20 0 DEADHO CC[N@@H+](C)C[C@H](O)CN(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000566416032 292236773 /nfs/dbraw/zinc/23/67/73/292236773.db2.gz LWRDSNHQKNZBFK-OKZBNKHCSA-N 1 3 324.440 2.290 20 0 DEADHO C=Cn1cc(C[NH2+][C@H]2CCN(CCCOCC)C[C@@H]2C)cn1 ZINC000248993975 402617239 /nfs/dbraw/zinc/61/72/39/402617239.db2.gz OJTDPVUCCDBTQB-RDJZCZTQSA-N 1 3 306.454 2.210 20 0 DEADHO CCO[C@@H](CC[NH+](C)C)CNCc1ccc(Br)o1 ZINC000191301055 402659086 /nfs/dbraw/zinc/65/90/86/402659086.db2.gz BAUKMUVMDRZTHK-NSHDSACASA-N 1 3 319.243 2.489 20 0 DEADHO CCO[C@@H]1C[C@H]([NH2+]CCCN2CCN(CC)CC2)C12CCCC2 ZINC000181492237 402647195 /nfs/dbraw/zinc/64/71/95/402647195.db2.gz XKYMNZPIPYGFJH-ZWKOTPCHSA-N 1 3 323.525 2.341 20 0 DEADHO Cc1cc(NC(=O)[C@@H](C)[C@H](C)[NH3+])ccc1OCCN1CCCC1 ZINC000192117571 402712326 /nfs/dbraw/zinc/71/23/26/402712326.db2.gz GDWTZUYQIMLBLE-GJZGRUSLSA-N 1 3 319.449 2.391 20 0 DEADHO C[C@H](CN1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccc(F)cc1 ZINC000261968565 402720651 /nfs/dbraw/zinc/72/06/51/402720651.db2.gz HYSWNSLMOHLMFC-RHSMWYFYSA-N 1 3 321.440 2.249 20 0 DEADHO C[C@H](C(=O)Nc1ccc(OCC[NH3+])cc1)N1CCCCCC1 ZINC000183243420 402749960 /nfs/dbraw/zinc/74/99/60/402749960.db2.gz NQYCZGHLQJUMJK-CQSZACIVSA-N 1 3 305.422 2.227 20 0 DEADHO C[NH2+]CCC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000262388473 402724906 /nfs/dbraw/zinc/72/49/06/402724906.db2.gz NWFKJDPLBXUIOS-QGZVFWFLSA-N 1 3 303.450 2.185 20 0 DEADHO Cc1n[nH]c(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)n1 ZINC000272482062 402942461 /nfs/dbraw/zinc/94/24/61/402942461.db2.gz AZLXTDRSLJGAEO-RHSMWYFYSA-N 1 3 313.449 2.156 20 0 DEADHO Cc1nc(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)n[nH]1 ZINC000272482062 402942463 /nfs/dbraw/zinc/94/24/63/402942463.db2.gz AZLXTDRSLJGAEO-RHSMWYFYSA-N 1 3 313.449 2.156 20 0 DEADHO C[N@H+](CCCN1CCCCC1)[C@@H](CC(N)=O)c1ccccc1 ZINC000280501192 403006479 /nfs/dbraw/zinc/00/64/79/403006479.db2.gz MXRBPTWMYWGNEV-KRWDZBQOSA-N 1 3 303.450 2.411 20 0 DEADHO C[N@@H+](CCCN1CCCCC1)[C@@H](CC(N)=O)c1ccccc1 ZINC000280501192 403006480 /nfs/dbraw/zinc/00/64/80/403006480.db2.gz MXRBPTWMYWGNEV-KRWDZBQOSA-N 1 3 303.450 2.411 20 0 DEADHO C[NH+](C)CC1(NC(=O)c2cccc(CN3CCCC3)c2)CCC1 ZINC000281597510 403073236 /nfs/dbraw/zinc/07/32/36/403073236.db2.gz DABOINUMXQKIKQ-UHFFFAOYSA-N 1 3 315.461 2.497 20 0 DEADHO CC[C@@H]([NH2+]CCCN(C)C)c1ccccc1OCC(=O)N(C)C ZINC000268696285 403107167 /nfs/dbraw/zinc/10/71/67/403107167.db2.gz BZGLKEAOYZYSGU-MRXNPFEDSA-N 1 3 321.465 2.146 20 0 DEADHO CC(C)C(=O)NCCN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268707959 403108453 /nfs/dbraw/zinc/10/84/53/403108453.db2.gz FIDAJMIBEQEMID-AEFFLSMTSA-N 1 3 317.477 2.259 20 0 DEADHO CC(C)C(=O)NCCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268707959 403108455 /nfs/dbraw/zinc/10/84/55/403108455.db2.gz FIDAJMIBEQEMID-AEFFLSMTSA-N 1 3 317.477 2.259 20 0 DEADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000268781287 403113266 /nfs/dbraw/zinc/11/32/66/403113266.db2.gz YDNDOJGFUXUIFJ-CKEIUWERSA-N 1 3 303.450 2.207 20 0 DEADHO CCN1CC[C@@H]([NH2+]Cc2cccc(C(=O)NC3CC3)c2)[C@H](C)C1 ZINC000268788665 403114315 /nfs/dbraw/zinc/11/43/15/403114315.db2.gz BAIHSSNDEANJGV-RDTXWAMCSA-N 1 3 315.461 2.399 20 0 DEADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCCC(=O)N(C)C ZINC000276320160 403163453 /nfs/dbraw/zinc/16/34/53/403163453.db2.gz ZYAAUCIIEMJBLU-HOTGVXAUSA-N 1 3 317.477 2.211 20 0 DEADHO CN1CCC(O)(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000269431587 403138921 /nfs/dbraw/zinc/13/89/21/403138921.db2.gz PVMBWQIZISGKBP-UHFFFAOYSA-N 1 3 320.330 2.391 20 0 DEADHO CN(C)CCN1CCC([NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000283919584 403232571 /nfs/dbraw/zinc/23/25/71/403232571.db2.gz DPBCURIEWNEBSQ-GOSISDBHSA-N 1 3 317.477 2.385 20 0 DEADHO CN(CCCO)C1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC000271169536 403272313 /nfs/dbraw/zinc/27/23/13/403272313.db2.gz IJFMUWDJTFGYKM-UHFFFAOYSA-N 1 3 301.434 2.447 20 0 DEADHO CC(C)[NH+]1CCC(O)(CNCc2cnc(C(C)(C)C)nc2)CC1 ZINC000342796198 403354250 /nfs/dbraw/zinc/35/42/50/403354250.db2.gz FSUQAVCNSBOOOC-UHFFFAOYSA-N 1 3 320.481 2.099 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000342699179 403312738 /nfs/dbraw/zinc/31/27/38/403312738.db2.gz VKLDPJISYWXDNO-SZMVWBNQSA-N 1 3 315.461 2.155 20 0 DEADHO CN1CCC[C@@H]1CNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000342712996 403317922 /nfs/dbraw/zinc/31/79/22/403317922.db2.gz BGAWYIURVWQZAX-QGZVFWFLSA-N 1 3 315.461 2.053 20 0 DEADHO CCN(CC)C(=O)CCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298251227 403341909 /nfs/dbraw/zinc/34/19/09/403341909.db2.gz DLDHPYSDYKGNHC-UHFFFAOYSA-N 1 3 318.465 2.289 20 0 DEADHO CN1CCC(O)(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000339069640 403342150 /nfs/dbraw/zinc/34/21/50/403342150.db2.gz YTQJZBXBTKZTCZ-SJLPKXTDSA-N 1 3 318.461 2.201 20 0 DEADHO C[C@H](C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)CN(C)C ZINC000293231995 403421421 /nfs/dbraw/zinc/42/14/21/403421421.db2.gz AXJJWIJBMSKFLT-KGLIPLIRSA-N 1 3 305.422 2.492 20 0 DEADHO CC[NH+]1CCC(CCNCc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000293543791 403500513 /nfs/dbraw/zinc/50/05/13/403500513.db2.gz GFUZRYOVCLTPGZ-UHFFFAOYSA-N 1 3 317.433 2.229 20 0 DEADHO c1ccc2nc(CN[C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)ccc2c1 ZINC000343245531 403508737 /nfs/dbraw/zinc/50/87/37/403508737.db2.gz MHPQUWPUWLVHTK-UHOSZYNNSA-N 1 3 311.429 2.482 20 0 DEADHO C[C@@H](NCc1ccncc1OCCC[NH+](C)C)[C@@]1(C)CCCO1 ZINC000340402411 403605071 /nfs/dbraw/zinc/60/50/71/403605071.db2.gz PQFFXXIUDFNQKA-CRAIPNDOSA-N 1 3 321.465 2.459 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000293926668 403601411 /nfs/dbraw/zinc/60/14/11/403601411.db2.gz IUWYXTLTCSCULJ-IBGZPJMESA-N 1 3 315.461 2.306 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000293926668 403601417 /nfs/dbraw/zinc/60/14/17/403601417.db2.gz IUWYXTLTCSCULJ-IBGZPJMESA-N 1 3 315.461 2.306 20 0 DEADHO C[NH+]1CCC(CCN[C@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000293758227 403557247 /nfs/dbraw/zinc/55/72/47/403557247.db2.gz OSSFBUZJHSSUPV-CQSZACIVSA-N 1 3 305.451 2.277 20 0 DEADHO O[C@H]1C[NH2+]C[C@H]1CNCCCCc1cccc(C(F)(F)F)c1 ZINC000345992331 403562483 /nfs/dbraw/zinc/56/24/83/403562483.db2.gz BPHODWOIVKYJJJ-HIFRSBDPSA-N 1 3 316.367 2.198 20 0 DEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC1CCN(C)CC1 ZINC000347023347 403611726 /nfs/dbraw/zinc/61/17/26/403611726.db2.gz KCJOMKUOKGZHKE-XHSDSOJGSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC1CCN(C)CC1 ZINC000347023347 403611729 /nfs/dbraw/zinc/61/17/29/403611729.db2.gz KCJOMKUOKGZHKE-XHSDSOJGSA-N 1 3 309.498 2.201 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CCN1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000343515979 403619185 /nfs/dbraw/zinc/61/91/85/403619185.db2.gz LDNHWEXOYHYEAD-JZXOWHBKSA-N 1 3 319.493 2.336 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CCN1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000343515979 403619189 /nfs/dbraw/zinc/61/91/89/403619189.db2.gz LDNHWEXOYHYEAD-JZXOWHBKSA-N 1 3 319.493 2.336 20 0 DEADHO CCN1CC[C@H]([NH2+]C[C@H](Cc2ccccc2)N(C)C)[C@@H](C)C1 ZINC000347231595 403630789 /nfs/dbraw/zinc/63/07/89/403630789.db2.gz NTZBSPBLHHVJRG-WDSOQIARSA-N 1 3 303.494 2.479 20 0 DEADHO CC[N@@H+]1CC[C@H](NC[C@H](Cc2ccccc2)N(C)C)[C@@H](C)C1 ZINC000347231595 403630794 /nfs/dbraw/zinc/63/07/94/403630794.db2.gz NTZBSPBLHHVJRG-WDSOQIARSA-N 1 3 303.494 2.479 20 0 DEADHO CC[N@H+]1CC[C@H](NC[C@H](Cc2ccccc2)N(C)C)[C@@H](C)C1 ZINC000347231595 403630798 /nfs/dbraw/zinc/63/07/98/403630798.db2.gz NTZBSPBLHHVJRG-WDSOQIARSA-N 1 3 303.494 2.479 20 0 DEADHO CC(C)CN1CCC[C@@H](C[NH2+][C@H](C)C(C)(C)n2cncn2)C1 ZINC000340534093 403638665 /nfs/dbraw/zinc/63/86/65/403638665.db2.gz JPDWEBAJLHIYHK-CVEARBPZSA-N 1 3 307.486 2.359 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](CN[C@H](C)C(C)(C)n2cncn2)C1 ZINC000340534093 403638670 /nfs/dbraw/zinc/63/86/70/403638670.db2.gz JPDWEBAJLHIYHK-CVEARBPZSA-N 1 3 307.486 2.359 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](CN[C@H](C)C(C)(C)n2cncn2)C1 ZINC000340534093 403638674 /nfs/dbraw/zinc/63/86/74/403638674.db2.gz JPDWEBAJLHIYHK-CVEARBPZSA-N 1 3 307.486 2.359 20 0 DEADHO C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)NCCN(C)C)C1CCC1 ZINC000347263676 403642266 /nfs/dbraw/zinc/64/22/66/403642266.db2.gz ICAFONSWHXQWKJ-MAUKXSAKSA-N 1 3 317.477 2.054 20 0 DEADHO CC[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C)C1CC1 ZINC000347271358 403644081 /nfs/dbraw/zinc/64/40/81/403644081.db2.gz MQXQRIMZBITNEV-MSOLQXFVSA-N 1 3 317.477 2.054 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)CCCN1C ZINC000343600283 403658018 /nfs/dbraw/zinc/65/80/18/403658018.db2.gz JVVNKFJZOAOMHJ-HUUCEWRRSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H](C(=O)NCC1CCC(C[NH3+])CC1)[C@@H](N)c1ccccc1 ZINC000343647010 403677125 /nfs/dbraw/zinc/67/71/25/403677125.db2.gz SWOPJYKNTZUPES-ARAOSMHQSA-N 1 3 303.450 2.204 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000343582053 403649582 /nfs/dbraw/zinc/64/95/82/403649582.db2.gz ZBVLULCEMUOKIO-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000343582053 403649587 /nfs/dbraw/zinc/64/95/87/403649587.db2.gz ZBVLULCEMUOKIO-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343790959 403735841 /nfs/dbraw/zinc/73/58/41/403735841.db2.gz IVDIZJLACIRJRW-KLHDSHLOSA-N 1 3 310.486 2.031 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000343813454 403743588 /nfs/dbraw/zinc/74/35/88/403743588.db2.gz CHCVYSYTMDWPGP-JKSUJKDBSA-N 1 3 312.502 2.280 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc3c(c2)CNC3)C1 ZINC000347535564 403745739 /nfs/dbraw/zinc/74/57/39/403745739.db2.gz YPYPXLAYKJTIMM-CQSZACIVSA-N 1 3 301.434 2.094 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc3c(c2)CNC3)C1 ZINC000347535564 403745740 /nfs/dbraw/zinc/74/57/40/403745740.db2.gz YPYPXLAYKJTIMM-CQSZACIVSA-N 1 3 301.434 2.094 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000341042256 403748718 /nfs/dbraw/zinc/74/87/18/403748718.db2.gz AYDNIUMZMVOVAQ-CVEARBPZSA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000341042256 403748721 /nfs/dbraw/zinc/74/87/21/403748721.db2.gz AYDNIUMZMVOVAQ-CVEARBPZSA-N 1 3 324.513 2.280 20 0 DEADHO C[NH+](C)CC1CCC(NC(=O)c2ccc3c(c2)CNC3)CC1 ZINC000347553043 403750112 /nfs/dbraw/zinc/75/01/12/403750112.db2.gz LNMVEBQNFGUAEC-UHFFFAOYSA-N 1 3 301.434 2.140 20 0 DEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000567102600 292288981 /nfs/dbraw/zinc/28/89/81/292288981.db2.gz VETZYPPNNHTVJJ-ZWKOTPCHSA-N 1 3 323.525 2.376 20 0 DEADHO CN(C)C[C@@H]1CN(C(=O)CCCCCC[NH3+])c2ccccc2O1 ZINC000361711281 403817273 /nfs/dbraw/zinc/81/72/73/403817273.db2.gz QPSKQMFZUCAOFM-OAHLLOKOSA-N 1 3 319.449 2.251 20 0 DEADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc3c(c2)oc(=O)n3C)C[C@H]1C ZINC000351643457 403824085 /nfs/dbraw/zinc/82/40/85/403824085.db2.gz DIJCOMARKWJDGD-UKRRQHHQSA-N 1 3 317.433 2.436 20 0 DEADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc3c(c2)oc(=O)n3C)C[C@H]1C ZINC000351643457 403824096 /nfs/dbraw/zinc/82/40/96/403824096.db2.gz DIJCOMARKWJDGD-UKRRQHHQSA-N 1 3 317.433 2.436 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCN1C ZINC000341202487 403828975 /nfs/dbraw/zinc/82/89/75/403828975.db2.gz MPJMTWURSOCKEV-OIISXLGYSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCN1C ZINC000341202487 403828981 /nfs/dbraw/zinc/82/89/81/403828981.db2.gz MPJMTWURSOCKEV-OIISXLGYSA-N 1 3 322.497 2.033 20 0 DEADHO COC1CCC([NH2+]Cc2ccncc2OCCN(C)C)CC1 ZINC000344025276 403854919 /nfs/dbraw/zinc/85/49/19/403854919.db2.gz FNZXGODGYSAOLJ-UHFFFAOYSA-N 1 3 307.438 2.069 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCN(CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000351856235 403965324 /nfs/dbraw/zinc/96/53/24/403965324.db2.gz UTVZFAYCGUVUQG-WDEREUQCSA-N 1 3 313.804 2.477 20 0 DEADHO CO[C@@H]1C[C@@H](CO)N(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411700147 403942648 /nfs/dbraw/zinc/94/26/48/403942648.db2.gz AYOQVPUWBQQDKS-RBUKOAKNSA-N 1 3 318.461 2.254 20 0 DEADHO CC[C@@H](C(=O)NCC1(SC)CC[NH+](C)CC1)N(CC)CC ZINC000362333820 403942959 /nfs/dbraw/zinc/94/29/59/403942959.db2.gz PVSDWJQJNGMTGD-AWEZNQCLSA-N 1 3 315.527 2.050 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000290207194 404081371 /nfs/dbraw/zinc/08/13/71/404081371.db2.gz RWILVAOKHVXGHN-XIRDDKMYSA-N 1 3 303.450 2.011 20 0 DEADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000290128345 404053703 /nfs/dbraw/zinc/05/37/03/404053703.db2.gz JUKFGRAJOMDMDG-NXHRZFHOSA-N 1 3 317.477 2.257 20 0 DEADHO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCCCN(C)Cc1ccccc1 ZINC000290154200 404063071 /nfs/dbraw/zinc/06/30/71/404063071.db2.gz LLSDNVQQHDVQPY-ZWKOTPCHSA-N 1 3 317.477 2.259 20 0 DEADHO COc1cc(OC)c(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c(OC)c1 ZINC000324535837 404101247 /nfs/dbraw/zinc/10/12/47/404101247.db2.gz YWLWHWGEHBUZSR-OKILXGFUSA-N 1 3 320.433 2.144 20 0 DEADHO C[C@H](CNC[C@H](O)COCc1ccccc1F)C[NH+]1CCCC1 ZINC000320704919 404069412 /nfs/dbraw/zinc/06/94/12/404069412.db2.gz JDEZNSLGMKXCRB-WBVHZDCISA-N 1 3 324.440 2.025 20 0 DEADHO C[C@H](C[NH2+]C[C@H](O)COCc1ccccc1F)CN1CCCC1 ZINC000320704919 404069415 /nfs/dbraw/zinc/06/94/15/404069415.db2.gz JDEZNSLGMKXCRB-WBVHZDCISA-N 1 3 324.440 2.025 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000354874877 404072293 /nfs/dbraw/zinc/07/22/93/404072293.db2.gz JAOYEGOIORQIAQ-BRWVUGGUSA-N 1 3 322.497 2.177 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000354874877 404072297 /nfs/dbraw/zinc/07/22/97/404072297.db2.gz JAOYEGOIORQIAQ-BRWVUGGUSA-N 1 3 322.497 2.177 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@]2(C)CCOC2)CC1 ZINC000344390676 404104443 /nfs/dbraw/zinc/10/44/43/404104443.db2.gz XTEUYVJASTUMHN-LJQANCHMSA-N 1 3 317.477 2.345 20 0 DEADHO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000290264629 404104726 /nfs/dbraw/zinc/10/47/26/404104726.db2.gz VPDIUMLDGMLISU-DLBZAZTESA-N 1 3 319.449 2.200 20 0 DEADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000352072854 404124124 /nfs/dbraw/zinc/12/41/24/404124124.db2.gz AUGCQJRKGNFICV-LSDHHAIUSA-N 1 3 322.497 2.009 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H]1C=CCC1 ZINC000337589960 404115846 /nfs/dbraw/zinc/11/58/46/404115846.db2.gz WJGRIRAXWFZVRB-SJORKVTESA-N 1 3 307.482 2.217 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H]1C=CCC1 ZINC000337589960 404115847 /nfs/dbraw/zinc/11/58/47/404115847.db2.gz WJGRIRAXWFZVRB-SJORKVTESA-N 1 3 307.482 2.217 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1C=CCC1 ZINC000337589958 404115995 /nfs/dbraw/zinc/11/59/95/404115995.db2.gz WJGRIRAXWFZVRB-IAGOWNOFSA-N 1 3 307.482 2.217 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1C=CCC1 ZINC000337589958 404116001 /nfs/dbraw/zinc/11/60/01/404116001.db2.gz WJGRIRAXWFZVRB-IAGOWNOFSA-N 1 3 307.482 2.217 20 0 DEADHO CCc1ccc(CN(CCN(C)C)C[C@H]2CCC[N@H+]2CC)cn1 ZINC000349036162 404118481 /nfs/dbraw/zinc/11/84/81/404118481.db2.gz NCXDLPBKUMABCS-LJQANCHMSA-N 1 3 318.509 2.492 20 0 DEADHO CCc1ccc(CN(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)cn1 ZINC000349036162 404118489 /nfs/dbraw/zinc/11/84/89/404118489.db2.gz NCXDLPBKUMABCS-LJQANCHMSA-N 1 3 318.509 2.492 20 0 DEADHO Cc1ccc(NC(=O)[C@@H](C)NC2CC2)c(OCC[NH+](C)C)c1 ZINC000296171207 404126129 /nfs/dbraw/zinc/12/61/29/404126129.db2.gz XEGCIJLSDACGKR-CYBMUJFWSA-N 1 3 305.422 2.014 20 0 DEADHO CN(C)C/C=C/C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000363765353 404219693 /nfs/dbraw/zinc/21/96/93/404219693.db2.gz CSDJVBBFVGHMCG-BQHJZSHBSA-N 1 3 315.461 2.275 20 0 DEADHO CN(C)C/C=C/C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000363765353 404219695 /nfs/dbraw/zinc/21/96/95/404219695.db2.gz CSDJVBBFVGHMCG-BQHJZSHBSA-N 1 3 315.461 2.275 20 0 DEADHO COc1cc(OC)c(OC)cc1C[N@H+](C)[C@@H]1CCN(C)C[C@H]1C ZINC000290496703 404193129 /nfs/dbraw/zinc/19/31/29/404193129.db2.gz OWAJCWOXRYQSTB-UKRRQHHQSA-N 1 3 322.449 2.484 20 0 DEADHO COc1cc(OC)c(OC)cc1C[N@@H+](C)[C@@H]1CCN(C)C[C@H]1C ZINC000290496703 404193137 /nfs/dbraw/zinc/19/31/37/404193137.db2.gz OWAJCWOXRYQSTB-UKRRQHHQSA-N 1 3 322.449 2.484 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000344530919 404207343 /nfs/dbraw/zinc/20/73/43/404207343.db2.gz BNJYKCXXOHZWEB-IKGGRYGDSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000344530919 404207351 /nfs/dbraw/zinc/20/73/51/404207351.db2.gz BNJYKCXXOHZWEB-IKGGRYGDSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](CNC(=O)NCC1([NH+](C)C)CCCC1)N1CCC(C)CC1 ZINC000338310109 404360324 /nfs/dbraw/zinc/36/03/24/404360324.db2.gz MLTKZCKMXRFMLW-INIZCTEOSA-N 1 3 324.513 2.280 20 0 DEADHO CSC[C@H](O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000352433430 404367998 /nfs/dbraw/zinc/36/79/98/404367998.db2.gz VJUANGAMAYRPGO-OKZBNKHCSA-N 1 3 320.502 2.164 20 0 DEADHO CSC[C@H](O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000352433430 404368004 /nfs/dbraw/zinc/36/80/04/404368004.db2.gz VJUANGAMAYRPGO-OKZBNKHCSA-N 1 3 320.502 2.164 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCC(=O)N3CCc4ccccc43)C[C@H]21 ZINC000342103257 404368835 /nfs/dbraw/zinc/36/88/35/404368835.db2.gz MNJUGRVQUAWXIB-BRWVUGGUSA-N 1 3 313.445 2.025 20 0 DEADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000351159455 404523704 /nfs/dbraw/zinc/52/37/04/404523704.db2.gz DRBSGUYWWLSNAB-HNNXBMFYSA-N 1 3 324.513 2.233 20 0 DEADHO CN(C[C@@H](O)CN1CCC[N@H+](CC2CCCCC2)CC1)C1CC1 ZINC000351440813 404582978 /nfs/dbraw/zinc/58/29/78/404582978.db2.gz IMQHCPUQDRJDHT-LJQANCHMSA-N 1 3 323.525 2.030 20 0 DEADHO CN(C[C@@H](O)CN1CCC[N@@H+](CC2CCCCC2)CC1)C1CC1 ZINC000351440813 404582981 /nfs/dbraw/zinc/58/29/81/404582981.db2.gz IMQHCPUQDRJDHT-LJQANCHMSA-N 1 3 323.525 2.030 20 0 DEADHO C[C@H](CC1CCCC1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414200476 404547070 /nfs/dbraw/zinc/54/70/70/404547070.db2.gz RWYQBFGQWIKXJO-QGZVFWFLSA-N 1 3 323.525 2.341 20 0 DEADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N(CCN(C)C)Cc1ccccn1 ZINC000356586378 404607017 /nfs/dbraw/zinc/60/70/17/404607017.db2.gz BHJQFTNBEHNMRK-OAHLLOKOSA-N 1 3 320.481 2.139 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NCC[N@H+](C)[C@H](C)CC ZINC000352774474 404609752 /nfs/dbraw/zinc/60/97/52/404609752.db2.gz WEORIGWHXKSHSO-MRXNPFEDSA-N 1 3 312.502 2.234 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000352774474 404609760 /nfs/dbraw/zinc/60/97/60/404609760.db2.gz WEORIGWHXKSHSO-MRXNPFEDSA-N 1 3 312.502 2.234 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000352774473 404610636 /nfs/dbraw/zinc/61/06/36/404610636.db2.gz WEORIGWHXKSHSO-INIZCTEOSA-N 1 3 312.502 2.234 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000352774473 404610638 /nfs/dbraw/zinc/61/06/38/404610638.db2.gz WEORIGWHXKSHSO-INIZCTEOSA-N 1 3 312.502 2.234 20 0 DEADHO CC[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414673220 404704786 /nfs/dbraw/zinc/70/47/86/404704786.db2.gz IVGSPWVYIAGQHI-HNNXBMFYSA-N 1 3 323.868 2.359 20 0 DEADHO CC[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414673220 404704789 /nfs/dbraw/zinc/70/47/89/404704789.db2.gz IVGSPWVYIAGQHI-HNNXBMFYSA-N 1 3 323.868 2.359 20 0 DEADHO C[C@@H](c1ccccc1F)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414679252 404706799 /nfs/dbraw/zinc/70/67/99/404706799.db2.gz RPBZJYCFORHDFV-UONOGXRCSA-N 1 3 307.413 2.016 20 0 DEADHO C[C@@H](c1ccccc1F)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414679252 404706803 /nfs/dbraw/zinc/70/68/03/404706803.db2.gz RPBZJYCFORHDFV-UONOGXRCSA-N 1 3 307.413 2.016 20 0 DEADHO COc1cc(C)c(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c(C)n1 ZINC000414768967 404729153 /nfs/dbraw/zinc/72/91/53/404729153.db2.gz JCGTZVCGAHXWFN-AEFFLSMTSA-N 1 3 319.449 2.035 20 0 DEADHO Cn1c2ccc(C[N@@H+]3CCCC34CCN(C)CC4)cc2oc1=O ZINC000353061793 404734154 /nfs/dbraw/zinc/73/41/54/404734154.db2.gz GWWHQXUPGWAQLJ-UHFFFAOYSA-N 1 3 315.417 2.192 20 0 DEADHO Cn1c2ccc(C[N@H+]3CCCC34CCN(C)CC4)cc2oc1=O ZINC000353061793 404734158 /nfs/dbraw/zinc/73/41/58/404734158.db2.gz GWWHQXUPGWAQLJ-UHFFFAOYSA-N 1 3 315.417 2.192 20 0 DEADHO COc1ccc(C)cc1CN1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414788032 404735706 /nfs/dbraw/zinc/73/57/06/404735706.db2.gz MRPFPLMVURFHEI-INIZCTEOSA-N 1 3 304.434 2.191 20 0 DEADHO NC[C@@H]([NH2+]C1CCN(CCc2ccc(F)cc2)CC1)C1CC1 ZINC000414804361 404739552 /nfs/dbraw/zinc/73/95/52/404739552.db2.gz OSEZJXCVUDCAGN-GOSISDBHSA-N 1 3 305.441 2.160 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc(OC[C@H]2CCCO2)cc1 ZINC000414803272 404739737 /nfs/dbraw/zinc/73/97/37/404739737.db2.gz WJADETQWOMTOIJ-CGTJXYLNSA-N 1 3 304.434 2.461 20 0 DEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](C)CN(C)C)C1 ZINC000353105891 404743828 /nfs/dbraw/zinc/74/38/28/404743828.db2.gz AGNOSVLYUIINSW-LSDHHAIUSA-N 1 3 312.502 2.136 20 0 DEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](C)CN(C)C)C1 ZINC000353105891 404743833 /nfs/dbraw/zinc/74/38/33/404743833.db2.gz AGNOSVLYUIINSW-LSDHHAIUSA-N 1 3 312.502 2.136 20 0 DEADHO CSC1(CNCc2cnc(N(C)C)s2)CC[NH+](C)CC1 ZINC000353212382 404771738 /nfs/dbraw/zinc/77/17/38/404771738.db2.gz QHXYJHPEVFHPSW-UHFFFAOYSA-N 1 3 314.524 2.126 20 0 DEADHO CSC1(C[NH2+]Cc2cnc(N(C)C)s2)CCN(C)CC1 ZINC000353212382 404771740 /nfs/dbraw/zinc/77/17/40/404771740.db2.gz QHXYJHPEVFHPSW-UHFFFAOYSA-N 1 3 314.524 2.126 20 0 DEADHO C[C@@H](NC(=O)NCCN(C)C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358119023 404754084 /nfs/dbraw/zinc/75/40/84/404754084.db2.gz VSNBEMNZMSUWKE-CABCVRRESA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](NC(=O)NCCN(C)C1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358119023 404754086 /nfs/dbraw/zinc/75/40/86/404754086.db2.gz VSNBEMNZMSUWKE-CABCVRRESA-N 1 3 322.497 2.033 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)NC[C@]2(C)CCC[NH2+]C2)cc1 ZINC000414901415 404762620 /nfs/dbraw/zinc/76/26/20/404762620.db2.gz FYLLUPAGPLXJCN-KBXCAEBGSA-N 1 3 319.449 2.392 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@]2(C)CCCNC2)cc1 ZINC000414901415 404762622 /nfs/dbraw/zinc/76/26/22/404762622.db2.gz FYLLUPAGPLXJCN-KBXCAEBGSA-N 1 3 319.449 2.392 20 0 DEADHO CCCC[C@H]([NH3+])C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000353204671 404768937 /nfs/dbraw/zinc/76/89/37/404768937.db2.gz NDEWCBWWRWAGHW-XIRDDKMYSA-N 1 3 303.450 2.283 20 0 DEADHO COc1ccccc1CN1CCN(C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414695136 404710210 /nfs/dbraw/zinc/71/02/10/404710210.db2.gz ODPSKYJNACEGTN-SJORKVTESA-N 1 3 317.477 2.201 20 0 DEADHO Cc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CCCN(C(=O)CN)C2)s1 ZINC000414696359 404710738 /nfs/dbraw/zinc/71/07/38/404710738.db2.gz PGGQMGFMKSSIJF-LSDHHAIUSA-N 1 3 321.490 2.391 20 0 DEADHO Cc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCCN(C(=O)CN)C2)s1 ZINC000414696359 404710739 /nfs/dbraw/zinc/71/07/39/404710739.db2.gz PGGQMGFMKSSIJF-LSDHHAIUSA-N 1 3 321.490 2.391 20 0 DEADHO CC(C)([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1cccc(Cl)c1 ZINC000414715474 404715506 /nfs/dbraw/zinc/71/55/06/404715506.db2.gz WYYKXRMZPQQMGF-CYBMUJFWSA-N 1 3 323.868 2.362 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@H+](CC2CCCCC2)C2CC2)C1 ZINC000414715108 404715584 /nfs/dbraw/zinc/71/55/84/404715584.db2.gz XNUATCCEIAKTOC-MRXNPFEDSA-N 1 3 307.482 2.228 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@@H+](CC2CCCCC2)C2CC2)C1 ZINC000414715108 404715588 /nfs/dbraw/zinc/71/55/88/404715588.db2.gz XNUATCCEIAKTOC-MRXNPFEDSA-N 1 3 307.482 2.228 20 0 DEADHO C[C@@H](c1nccs1)N1CCN(C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414753851 404724823 /nfs/dbraw/zinc/72/48/23/404724823.db2.gz NBZLBQKXAVYVEK-ILXRZTDVSA-N 1 3 308.495 2.210 20 0 DEADHO COc1cc(N2CCN(C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)ccc1F ZINC000414760534 404726776 /nfs/dbraw/zinc/72/67/76/404726776.db2.gz HFQPUWUMYOLVPB-LSDHHAIUSA-N 1 3 321.440 2.344 20 0 DEADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000358865249 404778394 /nfs/dbraw/zinc/77/83/94/404778394.db2.gz MDVOAKXADYAVBY-RHSMWYFYSA-N 1 3 323.456 2.495 20 0 DEADHO Cc1nn(C)c(CNC[C@H]2CCC[C@H]([NH3+])C2)c1Br ZINC000414991979 404783526 /nfs/dbraw/zinc/78/35/26/404783526.db2.gz BKBSAWNVOMVDPE-QWRGUYRKSA-N 1 3 315.259 2.098 20 0 DEADHO Fc1ccc(-n2nccc2CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000415015524 404788614 /nfs/dbraw/zinc/78/86/14/404788614.db2.gz YVJJNGREPZGTFO-ZWKOTPCHSA-N 1 3 314.408 2.489 20 0 DEADHO COc1ccccc1[C@H](C[NH2+][C@@H]1CCN(C)C[C@H]1C)N(C)C ZINC000359376308 404791902 /nfs/dbraw/zinc/79/19/02/404791902.db2.gz JIAXVOOGJRSUGL-OIISXLGYSA-N 1 3 305.466 2.228 20 0 DEADHO COc1ccccc1[C@H](CN[C@@H]1CC[N@H+](C)C[C@H]1C)N(C)C ZINC000359376308 404791904 /nfs/dbraw/zinc/79/19/04/404791904.db2.gz JIAXVOOGJRSUGL-OIISXLGYSA-N 1 3 305.466 2.228 20 0 DEADHO COc1ccccc1[C@H](CN[C@@H]1CC[N@@H+](C)C[C@H]1C)N(C)C ZINC000359376308 404791908 /nfs/dbraw/zinc/79/19/08/404791908.db2.gz JIAXVOOGJRSUGL-OIISXLGYSA-N 1 3 305.466 2.228 20 0 DEADHO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000353465052 404837244 /nfs/dbraw/zinc/83/72/44/404837244.db2.gz ZEWPXJMDDCJIIA-ZGUYJTEBSA-N 1 3 321.509 2.343 20 0 DEADHO CN(CC(Cc1ccccc1)Cc1ccccc1)C[C@@H](O)C[NH3+] ZINC000415066563 404799734 /nfs/dbraw/zinc/79/97/34/404799734.db2.gz JKQADOLRSWPMRK-FQEVSTJZSA-N 1 3 312.457 2.339 20 0 DEADHO CC1CCN(C[C@@H](O)C[NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000353332237 404805394 /nfs/dbraw/zinc/80/53/94/404805394.db2.gz PFTKUKAGSYSNSC-WMZOPIPTSA-N 1 3 306.425 2.495 20 0 DEADHO CN(C)c1ccccc1CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415102252 404808036 /nfs/dbraw/zinc/80/80/36/404808036.db2.gz DGWPZYICDUTIRS-HKUYNNGSSA-N 1 3 317.477 2.471 20 0 DEADHO CC1CCN(CC(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000353347134 404808734 /nfs/dbraw/zinc/80/87/34/404808734.db2.gz HTQVEIHUWGSHEU-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccc(Cl)cc1 ZINC000415116285 404810892 /nfs/dbraw/zinc/81/08/92/404810892.db2.gz FGOAIEJRSYMADW-STQMWFEESA-N 1 3 309.841 2.188 20 0 DEADHO CC[NH+](CC)Cc1ccc(CNC(=O)C(N)C(F)(F)F)cc1 ZINC000353467246 404837967 /nfs/dbraw/zinc/83/79/67/404837967.db2.gz LARBPJYBMPPKPB-CYBMUJFWSA-N 1 3 317.355 2.034 20 0 DEADHO Cc1ccc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)nc1 ZINC000415137398 404816891 /nfs/dbraw/zinc/81/68/91/404816891.db2.gz TWYGFWRJWHUCLQ-UHFFFAOYSA-N 1 3 324.472 2.473 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)N1CCCCC1 ZINC000360083962 404817531 /nfs/dbraw/zinc/81/75/31/404817531.db2.gz HREGAJQDKIFUJG-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)N1CCCCC1 ZINC000360083962 404817533 /nfs/dbraw/zinc/81/75/33/404817533.db2.gz HREGAJQDKIFUJG-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(OC)c(O)c2)CC1 ZINC000353381440 404818421 /nfs/dbraw/zinc/81/84/21/404818421.db2.gz FGMGWGMPYOFYGG-GJZGRUSLSA-N 1 3 321.465 2.077 20 0 DEADHO CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000353467801 404838409 /nfs/dbraw/zinc/83/84/09/404838409.db2.gz AHVMBFAOGUKNFU-OIISXLGYSA-N 1 3 303.450 2.312 20 0 DEADHO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000353435252 404830703 /nfs/dbraw/zinc/83/07/03/404830703.db2.gz FBORQEMLRDQLNJ-FSDCSDTHSA-N 1 3 303.450 2.312 20 0 DEADHO CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000353442628 404831819 /nfs/dbraw/zinc/83/18/19/404831819.db2.gz SQTGPKCLPIRMKC-OIISXLGYSA-N 1 3 303.450 2.456 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+][C@@H](C)C[C@@H](C)O)CC1 ZINC000361030495 404885616 /nfs/dbraw/zinc/88/56/16/404885616.db2.gz UMQQRIATPZULSV-JKSUJKDBSA-N 1 3 305.466 2.078 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CCN1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000451214448 404905298 /nfs/dbraw/zinc/90/52/98/404905298.db2.gz WNWBLKCLUWISTR-HZPDHXFCSA-N 1 3 309.498 2.474 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CCN1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000451214448 404905304 /nfs/dbraw/zinc/90/53/04/404905304.db2.gz WNWBLKCLUWISTR-HZPDHXFCSA-N 1 3 309.498 2.474 20 0 DEADHO Cc1nc([C@@H](C)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cs1 ZINC000378198085 404888940 /nfs/dbraw/zinc/88/89/40/404888940.db2.gz CPPOPIOGKDEVMW-OCCSQVGLSA-N 1 3 308.495 2.271 20 0 DEADHO Cc1nc([C@@H](C)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cs1 ZINC000378198085 404888946 /nfs/dbraw/zinc/88/89/46/404888946.db2.gz CPPOPIOGKDEVMW-OCCSQVGLSA-N 1 3 308.495 2.271 20 0 DEADHO C[C@H]([NH2+]C[C@@H](CO)C1CC1)c1cccc(OCCN(C)C)c1 ZINC000353489904 404845489 /nfs/dbraw/zinc/84/54/89/404845489.db2.gz QESVALDFMBXWCF-YOEHRIQHSA-N 1 3 306.450 2.296 20 0 DEADHO C[NH+](C)C1CCC(NCc2nccn2CC(F)(F)F)CC1 ZINC000353501582 404849509 /nfs/dbraw/zinc/84/95/09/404849509.db2.gz ZRPLAKYIRAEYFY-UHFFFAOYSA-N 1 3 304.360 2.408 20 0 DEADHO C[N@@H+]1CC[C@H](NCCNC(=O)CC2CCCC2)[C@@H]2CCC[C@H]21 ZINC000353515956 404854544 /nfs/dbraw/zinc/85/45/44/404854544.db2.gz IWHFIYUCJZZXIJ-YESZJQIVSA-N 1 3 307.482 2.145 20 0 DEADHO C[N@H+]1CC[C@H](NCCNC(=O)CC2CCCC2)[C@@H]2CCC[C@H]21 ZINC000353515956 404854546 /nfs/dbraw/zinc/85/45/46/404854546.db2.gz IWHFIYUCJZZXIJ-YESZJQIVSA-N 1 3 307.482 2.145 20 0 DEADHO Cc1ccc(C)c(OC[C@@H](O)CNC2CC[NH+](C3CC3)CC2)c1 ZINC000568255005 292327239 /nfs/dbraw/zinc/32/72/39/292327239.db2.gz YJVBCEOMZIQZPF-SFHVURJKSA-N 1 3 318.461 2.260 20 0 DEADHO CNCc1ccccc1NC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000415904468 404966499 /nfs/dbraw/zinc/96/64/99/404966499.db2.gz RPJABYGSPKNTGM-CQSZACIVSA-N 1 3 304.438 2.259 20 0 DEADHO CNCc1ccccc1NC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000415904468 404966512 /nfs/dbraw/zinc/96/65/12/404966512.db2.gz RPJABYGSPKNTGM-CQSZACIVSA-N 1 3 304.438 2.259 20 0 DEADHO C[NH2+]Cc1cccc(NC(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000415914446 404969665 /nfs/dbraw/zinc/96/96/65/404969665.db2.gz AOAUJHQBCFVTNE-QGZVFWFLSA-N 1 3 316.449 2.498 20 0 DEADHO C[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)[C@@H](C[NH3+])C1 ZINC000416806502 404918787 /nfs/dbraw/zinc/91/87/87/404918787.db2.gz MIKAQMPZRZHGPT-DJIMGWMZSA-N 1 3 318.465 2.058 20 0 DEADHO CC[C@@H](CNC(=O)CC[C@H](C)[NH3+])N1CCc2ccccc2C1 ZINC000434671163 404922517 /nfs/dbraw/zinc/92/25/17/404922517.db2.gz GLFWGTQAWJJULM-YOEHRIQHSA-N 1 3 303.450 2.067 20 0 DEADHO CCN(CC)[C@H](CNC(=O)NC[C@H](C)C[NH2+]C)c1ccccc1 ZINC000416842470 404931879 /nfs/dbraw/zinc/93/18/79/404931879.db2.gz NHCSAMNPYYLROM-NVXWUHKLSA-N 1 3 320.481 2.224 20 0 DEADHO CC[NH2+]CC1CCN(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)CC1 ZINC000417016639 405003000 /nfs/dbraw/zinc/00/30/00/405003000.db2.gz OFNSZTOPLCRKIX-HZPDHXFCSA-N 1 3 324.513 2.138 20 0 DEADHO CC[NH+](CC)CCOC1CCN(Cc2c(C)n[nH]c2C)CC1 ZINC000354025764 405008854 /nfs/dbraw/zinc/00/88/54/405008854.db2.gz JDQMNKLCKMLMLS-UHFFFAOYSA-N 1 3 308.470 2.349 20 0 DEADHO C[C@H](CCNC(=O)[C@@H]1C[C@H](C)CCN1)[N@H+](C)Cc1ccccc1 ZINC000379680373 405029754 /nfs/dbraw/zinc/02/97/54/405029754.db2.gz MEJJAJYOHJAQNE-NUJGCVRESA-N 1 3 317.477 2.401 20 0 DEADHO C[C@H](CCNC(=O)[C@@H]1C[C@H](C)CCN1)[N@@H+](C)Cc1ccccc1 ZINC000379680373 405029761 /nfs/dbraw/zinc/02/97/61/405029761.db2.gz MEJJAJYOHJAQNE-NUJGCVRESA-N 1 3 317.477 2.401 20 0 DEADHO CC(C)C[C@H](CN(C)C)NC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000417085861 405030734 /nfs/dbraw/zinc/03/07/34/405030734.db2.gz DDKYOQROCMLIRF-QGZVFWFLSA-N 1 3 318.465 2.065 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415967517 404987015 /nfs/dbraw/zinc/98/70/15/404987015.db2.gz CZQSEPPQVSDQPD-CYBMUJFWSA-N 1 3 320.437 2.019 20 0 DEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415967517 404987017 /nfs/dbraw/zinc/98/70/17/404987017.db2.gz CZQSEPPQVSDQPD-CYBMUJFWSA-N 1 3 320.437 2.019 20 0 DEADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CCC[NH2+]1)c1ccsc1 ZINC000417007450 404997555 /nfs/dbraw/zinc/99/75/55/404997555.db2.gz KVCDUHBXEHQJEB-LSDHHAIUSA-N 1 3 324.494 2.182 20 0 DEADHO Cc1cc(CN)cc(NC(=O)N2CCC([NH2+]C(C)C)CC2)c1 ZINC000424435663 405094183 /nfs/dbraw/zinc/09/41/83/405094183.db2.gz LNQOWAGZNGCMBZ-UHFFFAOYSA-N 1 3 304.438 2.448 20 0 DEADHO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(C)cc(CN)c2)C1 ZINC000424442717 405096251 /nfs/dbraw/zinc/09/62/51/405096251.db2.gz YUWHYMHJZGRJTM-CQSZACIVSA-N 1 3 304.438 2.259 20 0 DEADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(C)cc(CN)c2)C1 ZINC000424442717 405096259 /nfs/dbraw/zinc/09/62/59/405096259.db2.gz YUWHYMHJZGRJTM-CQSZACIVSA-N 1 3 304.438 2.259 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000389991082 405043142 /nfs/dbraw/zinc/04/31/42/405043142.db2.gz OGECRPAMCWAZPO-BGTYHANMSA-N 1 3 315.461 2.141 20 0 DEADHO C[C@H](C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)[C@@H](N)c1ccccc1 ZINC000424225137 405043403 /nfs/dbraw/zinc/04/34/03/405043403.db2.gz PFMUTBAESLRNGY-YQQAZPJKSA-N 1 3 315.461 2.313 20 0 DEADHO CO[C@@H]1CCN(Cc2ccc(C[N@@H+]3CC[C@H](OC)C3)cc2)C1 ZINC000361370278 405044054 /nfs/dbraw/zinc/04/40/54/405044054.db2.gz RIIJXBHCHRFVEO-HDICACEKSA-N 1 3 304.434 2.128 20 0 DEADHO CO[C@@H]1CCN(Cc2ccc(C[N@H+]3CC[C@H](OC)C3)cc2)C1 ZINC000361370278 405044057 /nfs/dbraw/zinc/04/40/57/405044057.db2.gz RIIJXBHCHRFVEO-HDICACEKSA-N 1 3 304.434 2.128 20 0 DEADHO CO[C@@H]1CC[N@@H+](Cc2ccc(CN3CC[C@H](OC)C3)cc2)C1 ZINC000361370278 405044062 /nfs/dbraw/zinc/04/40/62/405044062.db2.gz RIIJXBHCHRFVEO-HDICACEKSA-N 1 3 304.434 2.128 20 0 DEADHO CO[C@@H]1CC[N@H+](Cc2ccc(CN3CC[C@H](OC)C3)cc2)C1 ZINC000361370278 405044078 /nfs/dbraw/zinc/04/40/78/405044078.db2.gz RIIJXBHCHRFVEO-HDICACEKSA-N 1 3 304.434 2.128 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCN(C)Cc1ccccc1 ZINC000417226518 405068041 /nfs/dbraw/zinc/06/80/41/405068041.db2.gz ALALCXLCUACLFE-DOTOQJQBSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@H]3CCN(C)C(=O)C3)CC2)C1 ZINC000424331061 405070040 /nfs/dbraw/zinc/07/00/40/405070040.db2.gz SPWCNEYZWZINDR-RYRKJORJSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](NC(=O)N(C)CC(C)(C)C[NH3+])[C@@H](c1ccccc1)N(C)C ZINC000418161634 405114525 /nfs/dbraw/zinc/11/45/25/405114525.db2.gz CCJPUBCRAHZGOB-ZBFHGGJFSA-N 1 3 320.481 2.304 20 0 DEADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418669345 405160363 /nfs/dbraw/zinc/16/03/63/405160363.db2.gz PHSCYWLDFLVTSC-BZUAXINKSA-N 1 3 324.513 2.123 20 0 DEADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C)CCC[NH3+])c1 ZINC000418712191 405178029 /nfs/dbraw/zinc/17/80/29/405178029.db2.gz VASBBBGCVNVAJW-INIZCTEOSA-N 1 3 320.481 2.196 20 0 DEADHO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC000437127421 405184647 /nfs/dbraw/zinc/18/46/47/405184647.db2.gz QHUQKBQNWHNXMS-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC000437127421 405184651 /nfs/dbraw/zinc/18/46/51/405184651.db2.gz QHUQKBQNWHNXMS-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO COC[C@H](O)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453127222 405284923 /nfs/dbraw/zinc/28/49/23/405284923.db2.gz RGAGUKKHJYTDQK-NCXUSEDFSA-N 1 3 318.461 2.027 20 0 DEADHO COC[C@H](O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453127222 405284925 /nfs/dbraw/zinc/28/49/25/405284925.db2.gz RGAGUKKHJYTDQK-NCXUSEDFSA-N 1 3 318.461 2.027 20 0 DEADHO C[C@H](CC(N)=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453138334 405286499 /nfs/dbraw/zinc/28/64/99/405286499.db2.gz JAYDAUDOXPKELH-VDHUWJSZSA-N 1 3 315.461 2.283 20 0 DEADHO C[C@H](CC(N)=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453138334 405286502 /nfs/dbraw/zinc/28/65/02/405286502.db2.gz JAYDAUDOXPKELH-VDHUWJSZSA-N 1 3 315.461 2.283 20 0 DEADHO CCOc1ccc([C@H]2CCCN2CCN2CC[NH2+]CC2)cc1 ZINC000420297875 405309870 /nfs/dbraw/zinc/30/98/70/405309870.db2.gz DTAPRKAFAKRLFW-GOSISDBHSA-N 1 3 303.450 2.127 20 0 DEADHO CCc1ccc(CN2CCN(CC[C@H]3CC[NH2+]C3)CC2)s1 ZINC000420307289 405312884 /nfs/dbraw/zinc/31/28/84/405312884.db2.gz BKLDXVAJKQVIJL-OAHLLOKOSA-N 1 3 307.507 2.428 20 0 DEADHO CCOc1ccccc1NC(=O)CCN1C[C@H](C[NH3+])C[C@@H]1C ZINC000420306355 405313171 /nfs/dbraw/zinc/31/31/71/405313171.db2.gz AJYBHCDAHHZXLR-KBPBESRZSA-N 1 3 305.422 2.083 20 0 DEADHO CN(CC[C@@H]1CCC[NH2+]C1)[C@H]1CCN(c2ccccc2)C1=O ZINC000420312371 405315445 /nfs/dbraw/zinc/31/54/45/405315445.db2.gz WVEOIHQNQPZNQJ-RDJZCZTQSA-N 1 3 301.434 2.113 20 0 DEADHO Cc1ccccc1NC(=O)[C@@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420327622 405320898 /nfs/dbraw/zinc/32/08/98/405320898.db2.gz DJUOVOQUQFQVID-OAGGEKHMSA-N 1 3 301.434 2.253 20 0 DEADHO COc1cccc([C@@H](C)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420327989 405320907 /nfs/dbraw/zinc/32/09/07/405320907.db2.gz MAICXYAEIKEMFS-GDBMZVCRSA-N 1 3 304.434 2.444 20 0 DEADHO C[C@H](C(=O)Nc1cccc(F)c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420332149 405322656 /nfs/dbraw/zinc/32/26/56/405322656.db2.gz CRRDHPATLZBEPW-ILXRZTDVSA-N 1 3 319.424 2.474 20 0 DEADHO COC(=O)c1ccc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000420332643 405322756 /nfs/dbraw/zinc/32/27/56/405322756.db2.gz SBXFKQAPQXOGOE-OLZOCXBDSA-N 1 3 308.447 2.356 20 0 DEADHO CC(C)CN(CC(C)C)C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420334986 405323665 /nfs/dbraw/zinc/32/36/65/405323665.db2.gz HAGLXOWFBQUZEL-MSOLQXFVSA-N 1 3 323.525 2.449 20 0 DEADHO CN(Cc1cccs1)C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420345790 405327245 /nfs/dbraw/zinc/32/72/45/405327245.db2.gz WRAREYMQQDJVNC-CABCVRRESA-N 1 3 321.490 2.028 20 0 DEADHO CN(CC[C@H]1CCC[NH2+]C1)Cc1cn(C)nc1C(F)(F)F ZINC000420376339 405337594 /nfs/dbraw/zinc/33/75/94/405337594.db2.gz QLYKGQZOMWYEBC-LLVKDONJSA-N 1 3 304.360 2.260 20 0 DEADHO [NH3+]CC[C@H]1CCCN([C@@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000443070951 405338133 /nfs/dbraw/zinc/33/81/33/405338133.db2.gz LXWXJEHFFRPTNA-NVXWUHKLSA-N 1 3 301.434 2.243 20 0 DEADHO [NH3+][C@H]1CCO[C@H](C2CCN(CCOc3ccccc3F)CC2)C1 ZINC000420379052 405338478 /nfs/dbraw/zinc/33/84/78/405338478.db2.gz AKRUTVUQSWYJGP-YJBOKZPZSA-N 1 3 322.424 2.423 20 0 DEADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(CCOc2ccccc2)CC1 ZINC000420382966 405338918 /nfs/dbraw/zinc/33/89/18/405338918.db2.gz QCHUKXHWXOMXKQ-QZTJIDSGSA-N 1 3 304.434 2.284 20 0 DEADHO O=C(CCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccccc1 ZINC000420385765 405340229 /nfs/dbraw/zinc/34/02/29/405340229.db2.gz FHQORBSEFZZMRZ-NVXWUHKLSA-N 1 3 301.434 2.479 20 0 DEADHO [NH3+][C@H]1CCO[C@@H](C2CCN(CCOc3cccc(F)c3)CC2)C1 ZINC000420392864 405342723 /nfs/dbraw/zinc/34/27/23/405342723.db2.gz PVUPOZREOOWSJQ-FUHWJXTLSA-N 1 3 322.424 2.423 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CCCC3(CCCC3)C2)CC1 ZINC000445856491 405358701 /nfs/dbraw/zinc/35/87/01/405358701.db2.gz FMAHHAHYVUIBAN-UHFFFAOYSA-N 1 3 307.482 2.243 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NCCCC[N@H+](C)C1CC1 ZINC000454490446 405353360 /nfs/dbraw/zinc/35/33/60/405353360.db2.gz SJWSDRKCSWHNQZ-INIZCTEOSA-N 1 3 310.486 2.034 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000454490446 405353362 /nfs/dbraw/zinc/35/33/62/405353362.db2.gz SJWSDRKCSWHNQZ-INIZCTEOSA-N 1 3 310.486 2.034 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NCCCCC[NH+]1CCCC1 ZINC000454492935 405353925 /nfs/dbraw/zinc/35/39/25/405353925.db2.gz VKTQVTVBXDXHBS-KRWDZBQOSA-N 1 3 324.513 2.426 20 0 DEADHO CC(C)[C@H](COCc1ccccc1)NC[C@@H](O)C[NH+]1CCCC1 ZINC000446753058 405391941 /nfs/dbraw/zinc/39/19/41/405391941.db2.gz RGPNACNJNHFGMQ-MOPGFXCFSA-N 1 3 320.477 2.274 20 0 DEADHO CN(C)[C@@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000427314813 405399351 /nfs/dbraw/zinc/39/93/51/405399351.db2.gz MWXTVNRXVTVAPN-ZWKOTPCHSA-N 1 3 317.477 2.055 20 0 DEADHO O=C(C[C@H]1CCC[NH2+]CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000427322616 405399533 /nfs/dbraw/zinc/39/95/33/405399533.db2.gz UFPXDPRWPWDTEV-FUHWJXTLSA-N 1 3 315.461 2.157 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NCCCCC[NH+]1CCCC1 ZINC000454609368 405371213 /nfs/dbraw/zinc/37/12/13/405371213.db2.gz FUFKWTDWUDCEBS-QGZVFWFLSA-N 1 3 324.513 2.426 20 0 DEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000454670627 405376114 /nfs/dbraw/zinc/37/61/14/405376114.db2.gz YWOYLLXSVWBTSB-CVEARBPZSA-N 1 3 324.513 2.279 20 0 DEADHO CCN(Cc1ccc(C(=O)NCC[C@@H]2CC[NH2+]C2)cc1)C1CC1 ZINC000429437087 405430122 /nfs/dbraw/zinc/43/01/22/405430122.db2.gz YTDMBYQLEGYROA-HNNXBMFYSA-N 1 3 315.461 2.400 20 0 DEADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)/C=C\CN(C)C ZINC000492048376 405467384 /nfs/dbraw/zinc/46/73/84/405467384.db2.gz NCJLIXGWBBQEEM-FNKXVUGSSA-N 1 3 315.461 2.131 20 0 DEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)/C=C\CN(C)C ZINC000492048376 405467387 /nfs/dbraw/zinc/46/73/87/405467387.db2.gz NCJLIXGWBBQEEM-FNKXVUGSSA-N 1 3 315.461 2.131 20 0 DEADHO CC[C@H]1CCCCN1CC[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000638587576 405558434 /nfs/dbraw/zinc/55/84/34/405558434.db2.gz FWURIBXAESNDGG-KRWDZBQOSA-N 1 3 311.514 2.076 20 0 DEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)CCCC[NH+](C)C ZINC000556940170 405561634 /nfs/dbraw/zinc/56/16/34/405561634.db2.gz QOEVQBSMYSJMCA-UHFFFAOYSA-N 1 3 323.456 2.448 20 0 DEADHO C[C@H](C(=O)N1CCc2ccccc21)N1CCC2(CC[NH2+]C2)CC1 ZINC000431037274 405564864 /nfs/dbraw/zinc/56/48/64/405564864.db2.gz JEUUQEBITUBKEX-OAHLLOKOSA-N 1 3 313.445 2.040 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000638528550 405527919 /nfs/dbraw/zinc/52/79/19/405527919.db2.gz DRNDNKIIWHRTMX-GBESFXJTSA-N 1 3 321.424 2.093 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000431037908 405565446 /nfs/dbraw/zinc/56/54/46/405565446.db2.gz AMUQVPLGONDVDG-SJLPKXTDSA-N 1 3 317.477 2.498 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000431037908 405565449 /nfs/dbraw/zinc/56/54/49/405565449.db2.gz AMUQVPLGONDVDG-SJLPKXTDSA-N 1 3 317.477 2.498 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458741905 405565848 /nfs/dbraw/zinc/56/58/48/405565848.db2.gz NEJOOWKNXQXEDN-HOTGVXAUSA-N 1 3 324.513 2.138 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458741905 405565856 /nfs/dbraw/zinc/56/58/56/405565856.db2.gz NEJOOWKNXQXEDN-HOTGVXAUSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H]([NH3+])C1CCN([C@@H](C)C(=O)N(C)Cc2cccc(F)c2)CC1 ZINC000430959000 405547626 /nfs/dbraw/zinc/54/76/26/405547626.db2.gz VIDRFHZWRARNMZ-KGLIPLIRSA-N 1 3 321.440 2.232 20 0 DEADHO CN(C(=O)[C@H]1CCN1C1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000635921619 405605579 /nfs/dbraw/zinc/60/55/79/405605579.db2.gz KVPPYZXJDGHLRJ-FCLJQHQZSA-N 1 3 305.466 2.087 20 0 DEADHO CN(C(=O)[C@H]1CCN1C1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000635921619 405605583 /nfs/dbraw/zinc/60/55/83/405605583.db2.gz KVPPYZXJDGHLRJ-FCLJQHQZSA-N 1 3 305.466 2.087 20 0 DEADHO C[NH+]1CCC(O)(CNCc2ccc3ccc(F)c(F)c3n2)CC1 ZINC000638682053 405616397 /nfs/dbraw/zinc/61/63/97/405616397.db2.gz RXZXHNJHLSNYPF-UHFFFAOYSA-N 1 3 321.371 2.059 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@]12C[C@@H]1CCC2 ZINC000421755077 405630683 /nfs/dbraw/zinc/63/06/83/405630683.db2.gz DQFQTSXVTWFQMJ-JZXOWHBKSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@]12C[C@@H]1CCC2 ZINC000421755077 405630694 /nfs/dbraw/zinc/63/06/94/405630694.db2.gz DQFQTSXVTWFQMJ-JZXOWHBKSA-N 1 3 307.482 2.051 20 0 DEADHO Cc1nc(CCNC2CC[NH+](CC(C)(C)O)CC2)sc1C ZINC000638763432 405654357 /nfs/dbraw/zinc/65/43/57/405654357.db2.gz BKPDWAYCXVCAFZ-UHFFFAOYSA-N 1 3 311.495 2.127 20 0 DEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N(C)CCN(C)C1CC1 ZINC000458943405 405665169 /nfs/dbraw/zinc/66/51/69/405665169.db2.gz VZZWSRHVVKGBHG-INIZCTEOSA-N 1 3 324.513 2.233 20 0 DEADHO CCN1CCN(CCCC[NH2+]CC2Cc3ccccc3C2)CC1 ZINC000558566092 405671141 /nfs/dbraw/zinc/67/11/41/405671141.db2.gz JLZXLCBWEATYOA-UHFFFAOYSA-N 1 3 315.505 2.409 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](c2ccccc2)N(C)C)C1 ZINC000431856925 405686471 /nfs/dbraw/zinc/68/64/71/405686471.db2.gz WVOMVIHVDUHAJO-WMZOPIPTSA-N 1 3 317.477 2.480 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](c2ccccc2)N(C)C)C1 ZINC000431856925 405686473 /nfs/dbraw/zinc/68/64/73/405686473.db2.gz WVOMVIHVDUHAJO-WMZOPIPTSA-N 1 3 317.477 2.480 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC1CCN(C)CC1 ZINC000431869853 405688363 /nfs/dbraw/zinc/68/83/63/405688363.db2.gz GYRNGYBJCFLVAK-DOTOQJQBSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CCCC[NH+](C)C ZINC000558651274 405680326 /nfs/dbraw/zinc/68/03/26/405680326.db2.gz ZRARPEFHPSOHRP-WMZOPIPTSA-N 1 3 317.477 2.355 20 0 DEADHO CC[C@H](CN[C@H]1C[NH2+]CC[C@@H]1C)N1CCc2ccccc2C1 ZINC000422807045 405684283 /nfs/dbraw/zinc/68/42/83/405684283.db2.gz LUJWAVGFUULQCS-IPELMVKDSA-N 1 3 301.478 2.411 20 0 DEADHO CC[C@H](C[NH2+][C@H]1CNCC[C@@H]1C)N1CCc2ccccc2C1 ZINC000422807045 405684290 /nfs/dbraw/zinc/68/42/90/405684290.db2.gz LUJWAVGFUULQCS-IPELMVKDSA-N 1 3 301.478 2.411 20 0 DEADHO CC(C)N1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000457089803 405693403 /nfs/dbraw/zinc/69/34/03/405693403.db2.gz LLGZBZUAFMOVPJ-SJORKVTESA-N 1 3 307.482 2.335 20 0 DEADHO CC(C)N1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000457089803 405693409 /nfs/dbraw/zinc/69/34/09/405693409.db2.gz LLGZBZUAFMOVPJ-SJORKVTESA-N 1 3 307.482 2.335 20 0 DEADHO CC(C)[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1)N1CCCCCC1 ZINC000422969188 405693928 /nfs/dbraw/zinc/69/39/28/405693928.db2.gz ZAWACCOZNZQONP-FHWLQOOXSA-N 1 3 323.525 2.244 20 0 DEADHO CC(C)[C@H](CN[C@@H](C1CC1)[C@@H]1CNCCO1)[NH+]1CCCCCC1 ZINC000422969188 405693931 /nfs/dbraw/zinc/69/39/31/405693931.db2.gz ZAWACCOZNZQONP-FHWLQOOXSA-N 1 3 323.525 2.244 20 0 DEADHO FC(F)COCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423065019 405696386 /nfs/dbraw/zinc/69/63/86/405696386.db2.gz ARUBKXMQOYFVMP-CZUORRHYSA-N 1 3 312.360 2.114 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCOc1ccc(F)c(Cl)c1 ZINC000423155061 405705464 /nfs/dbraw/zinc/70/54/64/405705464.db2.gz ISSKQDNBRVJVQX-WBIUFABUSA-N 1 3 316.804 2.200 20 0 DEADHO Cc1ccc([C@H](CCn2cncn2)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000423207917 405722690 /nfs/dbraw/zinc/72/26/90/405722690.db2.gz HJTLXRZWHJUEKR-WMZOPIPTSA-N 1 3 313.449 2.307 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCN(CC2CCCCC2)CC1)[C@H](C)[NH3+] ZINC000423321162 405760852 /nfs/dbraw/zinc/76/08/52/405760852.db2.gz MWWNMWISINLOPR-DOTOQJQBSA-N 1 3 309.498 2.330 20 0 DEADHO Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H](N)C(C)C)cc1 ZINC000423277116 405745642 /nfs/dbraw/zinc/74/56/42/405745642.db2.gz PGCFGXGXLFGBOF-DLBZAZTESA-N 1 3 301.438 2.291 20 0 DEADHO C[C@H]1CCN[C@@H](C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000423310244 405755913 /nfs/dbraw/zinc/75/59/13/405755913.db2.gz NFCBTSHXEAHILL-MAUKXSAKSA-N 1 3 315.461 2.287 20 0 DEADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H](N)C2CCC2)c1 ZINC000423318272 405758413 /nfs/dbraw/zinc/75/84/13/405758413.db2.gz DKAARTGLVYFDCK-KRWDZBQOSA-N 1 3 303.450 2.272 20 0 DEADHO C[NH2+]CCc1ccccc1C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000423372550 405781939 /nfs/dbraw/zinc/78/19/39/405781939.db2.gz VYLMWXBPRPELOQ-JKSUJKDBSA-N 1 3 317.477 2.299 20 0 DEADHO C[C@@H](N[C@H]1CC[NH2+][C@H](C)C1)c1cccc(OCCN(C)C)c1 ZINC000423372743 405782417 /nfs/dbraw/zinc/78/24/17/405782417.db2.gz IRGKJYSILSZGIZ-INMHGKMJSA-N 1 3 305.466 2.418 20 0 DEADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@@H]2CNC[C@H]2c2ccccc2)[C@H]1C ZINC000423499589 405828474 /nfs/dbraw/zinc/82/84/74/405828474.db2.gz CDWLPGYETWPYFM-OGCZYDBJSA-N 1 3 316.445 2.309 20 0 DEADHO Cc1c([C@H](C)[NH2+]CCCCN2CCN(C)CC2)cnn1C(C)C ZINC000530329952 405784001 /nfs/dbraw/zinc/78/40/01/405784001.db2.gz CGGMCOKPSUZUGB-INIZCTEOSA-N 1 3 321.513 2.451 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)[C@H](N)c1ccccc1)[N@H+](C)C1CC1 ZINC000423385551 405784694 /nfs/dbraw/zinc/78/46/94/405784694.db2.gz RAGIALRHMVZMKM-XJKSGUPXSA-N 1 3 303.450 2.312 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)[C@H](N)c1ccccc1)[N@@H+](C)C1CC1 ZINC000423385551 405784704 /nfs/dbraw/zinc/78/47/04/405784704.db2.gz RAGIALRHMVZMKM-XJKSGUPXSA-N 1 3 303.450 2.312 20 0 DEADHO C[C@H](CNC(=O)NCc1ccc(C[NH3+])cc1)N1CCC(C)CC1 ZINC000583932838 405791348 /nfs/dbraw/zinc/79/13/48/405791348.db2.gz MOPGMBLWUKSUNA-OAHLLOKOSA-N 1 3 318.465 2.065 20 0 DEADHO CN1CCC[C@@H](CNC(=O)CC2(C[NH3+])CC2)[C@H]1c1cccs1 ZINC000423416904 405797455 /nfs/dbraw/zinc/79/74/55/405797455.db2.gz DQUNOCGATKEHIP-BBRMVZONSA-N 1 3 321.490 2.376 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](N)CC2CCCCC2)C1 ZINC000423420235 405798986 /nfs/dbraw/zinc/79/89/86/405798986.db2.gz AHRRLFJDNYLDHL-SJORKVTESA-N 1 3 309.498 2.474 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](N)CC2CCCCC2)C1 ZINC000423420235 405798987 /nfs/dbraw/zinc/79/89/87/405798987.db2.gz AHRRLFJDNYLDHL-SJORKVTESA-N 1 3 309.498 2.474 20 0 DEADHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000423426645 405802836 /nfs/dbraw/zinc/80/28/36/405802836.db2.gz NERYPOKAFBXGOY-DJIMGWMZSA-N 1 3 315.461 2.408 20 0 DEADHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000423426645 405802844 /nfs/dbraw/zinc/80/28/44/405802844.db2.gz NERYPOKAFBXGOY-DJIMGWMZSA-N 1 3 315.461 2.408 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000583993393 405803205 /nfs/dbraw/zinc/80/32/05/405803205.db2.gz YEEGQJISPALRAT-QGZVFWFLSA-N 1 3 307.482 2.240 20 0 DEADHO Cc1ccc(S(=O)(=O)C[C@@H](C)NCCC[C@@H]2CCC[NH2+]2)cc1 ZINC000423471307 405817363 /nfs/dbraw/zinc/81/73/63/405817363.db2.gz FAOCTFJSVZZYQQ-HZPDHXFCSA-N 1 3 324.490 2.279 20 0 DEADHO C[C@@H]1[C@H](NC[C@@H]2C[NH2+]CCCO2)CCCN1Cc1ccccc1 ZINC000423495244 405825971 /nfs/dbraw/zinc/82/59/71/405825971.db2.gz UFDHQILSSMTOOC-NZSAHSFTSA-N 1 3 317.477 2.008 20 0 DEADHO COc1cc(NC(C)=O)ccc1[C@H](C)NCC1=CC[NH2+]CC1 ZINC000423339517 405767228 /nfs/dbraw/zinc/76/72/28/405767228.db2.gz IXLOVIRKXSSANA-LBPRGKRZSA-N 1 3 303.406 2.224 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CCN(C2CC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000423352870 405772636 /nfs/dbraw/zinc/77/26/36/405772636.db2.gz ANQCEQBUKVSSOU-GDBMZVCRSA-N 1 3 301.434 2.066 20 0 DEADHO C[C@H]1CCN[C@H](C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000423355132 405774739 /nfs/dbraw/zinc/77/47/39/405774739.db2.gz OPMDGBMVAJVRJL-WMZOPIPTSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H]1CCN[C@H](C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000423355132 405774744 /nfs/dbraw/zinc/77/47/44/405774744.db2.gz OPMDGBMVAJVRJL-WMZOPIPTSA-N 1 3 321.509 2.489 20 0 DEADHO CN(CCOCC1CCCC1)CC[N@H+](C)C1CCN(C)CC1 ZINC000459381540 405880531 /nfs/dbraw/zinc/88/05/31/405880531.db2.gz CLTZHCHOYLJFAN-UHFFFAOYSA-N 1 3 311.514 2.151 20 0 DEADHO CN(CCOCC1CCCC1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000459381540 405880537 /nfs/dbraw/zinc/88/05/37/405880537.db2.gz CLTZHCHOYLJFAN-UHFFFAOYSA-N 1 3 311.514 2.151 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@@H](C[NH3+])C(C)C)c1ccsc1 ZINC000433157715 405881563 /nfs/dbraw/zinc/88/15/63/405881563.db2.gz NPUVHMGXVNIPTH-GJZGRUSLSA-N 1 3 311.495 2.478 20 0 DEADHO CC[N@H+](CCNC(=O)Nc1cccc2c1CCNC2)C(C)C ZINC000561044728 405886982 /nfs/dbraw/zinc/88/69/82/405886982.db2.gz FZAYQCQDDDVGFJ-UHFFFAOYSA-N 1 3 304.438 2.184 20 0 DEADHO CC[N@@H+](CCNC(=O)Nc1cccc2c1CCNC2)C(C)C ZINC000561044728 405886988 /nfs/dbraw/zinc/88/69/88/405886988.db2.gz FZAYQCQDDDVGFJ-UHFFFAOYSA-N 1 3 304.438 2.184 20 0 DEADHO CC[C@@](C)(C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1)OC ZINC000639045448 405841335 /nfs/dbraw/zinc/84/13/35/405841335.db2.gz WXXFXIQYAHDFNC-SFHVURJKSA-N 1 3 311.514 2.151 20 0 DEADHO C[C@H](CC(=O)NCc1ccc(CN(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000423733377 405933710 /nfs/dbraw/zinc/93/37/10/405933710.db2.gz PVHLHJGJYKPYRV-QAPCUYQASA-N 1 3 317.477 2.390 20 0 DEADHO C[C@@H](CC(=O)N(C)[C@@H](C)C1CCN(C)CC1)C1CC[NH2+]CC1 ZINC000423757241 405950315 /nfs/dbraw/zinc/95/03/15/405950315.db2.gz HXWKANDMXFTKOE-GJZGRUSLSA-N 1 3 309.498 2.201 20 0 DEADHO CCC[NH2+][C@@H](C)C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000423775526 405958976 /nfs/dbraw/zinc/95/89/76/405958976.db2.gz OZZIKBZZMSUCEM-SWLSCSKDSA-N 1 3 311.857 2.447 20 0 DEADHO [NH3+]C1(C(=O)NCC2CCN(c3ccncc3)CC2)CCCCC1 ZINC000423777358 405960710 /nfs/dbraw/zinc/96/07/10/405960710.db2.gz BRDZKWZYUJZXIF-UHFFFAOYSA-N 1 3 316.449 2.076 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000423780078 405963630 /nfs/dbraw/zinc/96/36/30/405963630.db2.gz WEGAQGULOZXYCP-RCBQFDQVSA-N 1 3 323.868 2.447 20 0 DEADHO Cc1nn2c(CNCC[C@@H]3CCC[N@@H+](C)C3)c(C)nc2s1 ZINC000459728525 406023377 /nfs/dbraw/zinc/02/33/77/406023377.db2.gz IFOWSQXAAXZULM-ZDUSSCGKSA-N 1 3 307.467 2.229 20 0 DEADHO Cc1nn2c(CNCC[C@@H]3CCC[N@H+](C)C3)c(C)nc2s1 ZINC000459728525 406023385 /nfs/dbraw/zinc/02/33/85/406023385.db2.gz IFOWSQXAAXZULM-ZDUSSCGKSA-N 1 3 307.467 2.229 20 0 DEADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000433958168 406003713 /nfs/dbraw/zinc/00/37/13/406003713.db2.gz NCNMJIGFAPMTKM-NVXWUHKLSA-N 1 3 322.497 2.034 20 0 DEADHO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000433958168 406003718 /nfs/dbraw/zinc/00/37/18/406003718.db2.gz NCNMJIGFAPMTKM-NVXWUHKLSA-N 1 3 322.497 2.034 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)NCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000532530335 406083700 /nfs/dbraw/zinc/08/37/00/406083700.db2.gz ZTFANNKDBSZUBE-CABCVRRESA-N 1 3 319.449 2.344 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)NCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000532530335 406083702 /nfs/dbraw/zinc/08/37/02/406083702.db2.gz ZTFANNKDBSZUBE-CABCVRRESA-N 1 3 319.449 2.344 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634297962 406088626 /nfs/dbraw/zinc/08/86/26/406088626.db2.gz IUDSGAHGTLKOAU-QGZVFWFLSA-N 1 3 324.513 2.426 20 0 DEADHO CC(C)[NH2+]CCC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000516648955 406100746 /nfs/dbraw/zinc/10/07/46/406100746.db2.gz DMBCTHFKXYKAMY-HNNXBMFYSA-N 1 3 311.857 2.447 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H](c1cccs1)N1CCCC1 ZINC000567641084 406110856 /nfs/dbraw/zinc/11/08/56/406110856.db2.gz AEMWSTPUZQJCHK-JONQDZQNSA-N 1 3 323.506 2.227 20 0 DEADHO C[C@H](CNC(=O)C[C@H](N)Cc1ccccc1)C[NH+]1CCCCC1 ZINC000518972091 406169615 /nfs/dbraw/zinc/16/96/15/406169615.db2.gz LTWUCMGREPQHDP-SJLPKXTDSA-N 1 3 317.477 2.185 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+][C@H]2CC[C@H](OC)C2)CC1 ZINC000471807525 406120390 /nfs/dbraw/zinc/12/03/90/406120390.db2.gz CBHDUVJHFSUOBQ-ROUUACIJSA-N 1 3 317.477 2.486 20 0 DEADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H](c1nnc[n-]1)c1ccc(F)cc1 ZINC000567724475 406126628 /nfs/dbraw/zinc/12/66/28/406126628.db2.gz WLDSDSICURPTST-AOPWKGLWSA-N 1 3 315.396 2.139 20 0 DEADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2N[C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000567724475 406126631 /nfs/dbraw/zinc/12/66/31/406126631.db2.gz WLDSDSICURPTST-AOPWKGLWSA-N 1 3 315.396 2.139 20 0 DEADHO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@H](N2CCCC2)C1 ZINC000533344605 406138078 /nfs/dbraw/zinc/13/80/78/406138078.db2.gz BJRYUAWUCCZYAB-DLBZAZTESA-N 1 3 305.466 2.090 20 0 DEADHO O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CC[C@H](N2CCCC2)C1 ZINC000533344605 406138082 /nfs/dbraw/zinc/13/80/82/406138082.db2.gz BJRYUAWUCCZYAB-DLBZAZTESA-N 1 3 305.466 2.090 20 0 DEADHO COc1cc(OC)c(CCN[C@@H]2CCC[C@@H]([NH3+])C2)c(OC)c1 ZINC000519424876 406199622 /nfs/dbraw/zinc/19/96/22/406199622.db2.gz DUEKWNIPXPPMON-CHWSQXEVSA-N 1 3 308.422 2.114 20 0 DEADHO C[C@@H](C(=O)N1CCC(C)CC1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639759888 406239208 /nfs/dbraw/zinc/23/92/08/406239208.db2.gz MVYTUAUTCYZVRQ-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO COCC[C@@H](c1ccccc1)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762141 406239623 /nfs/dbraw/zinc/23/96/23/406239623.db2.gz GRJIJCLZQODAGD-ROUUACIJSA-N 1 3 306.450 2.153 20 0 DEADHO C[C@H](C[C@@H]1CCCCCN1)[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000569349974 406241805 /nfs/dbraw/zinc/24/18/05/406241805.db2.gz KYEYSWNBKRLJPS-CIDNJEQPSA-N 1 3 316.511 2.243 20 0 DEADHO [NH3+]C[C@H]1CCC[C@@H]1NCCc1nc(-c2ccncc2)cs1 ZINC000519767366 406250993 /nfs/dbraw/zinc/25/09/93/406250993.db2.gz VVNUGUOXJGJSNR-KGLIPLIRSA-N 1 3 302.447 2.465 20 0 DEADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000519767366 406250999 /nfs/dbraw/zinc/25/09/99/406250999.db2.gz VVNUGUOXJGJSNR-KGLIPLIRSA-N 1 3 302.447 2.465 20 0 DEADHO C[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)N1CCN(c2ccccc2)CC1 ZINC000519834965 406262203 /nfs/dbraw/zinc/26/22/03/406262203.db2.gz NEUJZGPIJVGORH-KURKYZTESA-N 1 3 316.493 2.057 20 0 DEADHO CC[NH+](CC)[C@H](C)CNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000487858993 406266722 /nfs/dbraw/zinc/26/67/22/406266722.db2.gz NGZIUWSCNRSYHW-YYIAUSFCSA-N 1 3 324.513 2.088 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H](C2CC2)N2CCCC2)CC1 ZINC000545395472 406318662 /nfs/dbraw/zinc/31/86/62/406318662.db2.gz IVHWPWUWOOSNAT-GOSISDBHSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H](C2CC2)N2CCCC2)CC1 ZINC000545395472 406318665 /nfs/dbraw/zinc/31/86/65/406318665.db2.gz IVHWPWUWOOSNAT-GOSISDBHSA-N 1 3 321.509 2.440 20 0 DEADHO [NH3+]C[C@H]1Cc2ccccc2N(C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000632869849 406300296 /nfs/dbraw/zinc/30/02/96/406300296.db2.gz QQHCUFPVRHRVGF-RDTXWAMCSA-N 1 3 321.424 2.385 20 0 DEADHO C[C@@H]1C[C@H](N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)[C@H](C)O1 ZINC000635003276 406395642 /nfs/dbraw/zinc/39/56/42/406395642.db2.gz BMJXRASJZVXQDT-JAPAREKCSA-N 1 3 302.418 2.398 20 0 DEADHO C[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc(F)cn1 ZINC000635008044 406396855 /nfs/dbraw/zinc/39/68/55/406396855.db2.gz ICZJHQRKAOHYPQ-GFCCVEGCSA-N 1 3 301.369 2.198 20 0 DEADHO CCO[C@@H]1C[C@H](Nc2cc(N3CCNCC3)cc[nH+]2)C12CCC2 ZINC000635008847 406398037 /nfs/dbraw/zinc/39/80/37/406398037.db2.gz KYLTZJLDNACMKV-JKSUJKDBSA-N 1 3 316.449 2.251 20 0 DEADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccnc(N2CCSCC2)c1 ZINC000635009935 406398541 /nfs/dbraw/zinc/39/85/41/406398541.db2.gz PFDMDGNOYUULDJ-JKSUJKDBSA-N 1 3 320.506 2.384 20 0 DEADHO COC[C@H](O)CNCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000570794265 406439824 /nfs/dbraw/zinc/43/98/24/406439824.db2.gz GTUSMPOARGJSFB-JTDSTZFVSA-N 1 3 320.477 2.261 20 0 DEADHO COC[C@H](O)CNCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000570794265 406439829 /nfs/dbraw/zinc/43/98/29/406439829.db2.gz GTUSMPOARGJSFB-JTDSTZFVSA-N 1 3 320.477 2.261 20 0 DEADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000635160899 406444512 /nfs/dbraw/zinc/44/45/12/406444512.db2.gz SDHMHBRFPCLIKI-SFHVURJKSA-N 1 3 315.461 2.063 20 0 DEADHO C[N@H+]1CC[C@@H](CC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000635160899 406444514 /nfs/dbraw/zinc/44/45/14/406444514.db2.gz SDHMHBRFPCLIKI-SFHVURJKSA-N 1 3 315.461 2.063 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NCC[NH2+]C2CCCCCC2)CN1C1CC1 ZINC000571268559 406498284 /nfs/dbraw/zinc/49/82/84/406498284.db2.gz WTPZVPQMDXPWNU-ZBFHGGJFSA-N 1 3 322.497 2.223 20 0 DEADHO C[C@@H](NCCOCC[NH+](C)C)c1ccc(Br)cn1 ZINC000571613063 406541766 /nfs/dbraw/zinc/54/17/66/406541766.db2.gz IMFAFKHPDWTZMV-LLVKDONJSA-N 1 3 316.243 2.073 20 0 DEADHO CC[NH2+][C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000638119400 406579206 /nfs/dbraw/zinc/57/92/06/406579206.db2.gz QLLNZQNTVFCXMR-UXLLHSPISA-N 1 3 303.450 2.011 20 0 DEADHO Cc1cc(NC(=O)[C@H](N)CCC(C)C)n(C2CC[NH+](C)CC2)n1 ZINC000638124080 406582567 /nfs/dbraw/zinc/58/25/67/406582567.db2.gz YJPHGUZGGJVFCV-OAHLLOKOSA-N 1 3 321.469 2.160 20 0 DEADHO CC(C)[NH+]1CCC(N2CCN(CCC[C@@H]3CCOC3)CC2)CC1 ZINC000645836490 406658572 /nfs/dbraw/zinc/65/85/72/406658572.db2.gz SOHTUERDLJGOOI-GOSISDBHSA-N 1 3 323.525 2.294 20 0 DEADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCCNC(=O)NC(C)C ZINC000645860715 406670535 /nfs/dbraw/zinc/67/05/35/406670535.db2.gz HXKDALPQDAKAOY-CVEARBPZSA-N 1 3 312.502 2.184 20 0 DEADHO CC[NH+]1CCC(CNC(=O)NC[C@@H]2CCN2C2CCCC2)CC1 ZINC000527800795 406753675 /nfs/dbraw/zinc/75/36/75/406753675.db2.gz PWHSNZKZADWIJB-KRWDZBQOSA-N 1 3 322.497 2.034 20 0 DEADHO C[NH+](C)C/C=C/C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000491893492 406767285 /nfs/dbraw/zinc/76/72/85/406767285.db2.gz PBEYDUCORZZYBR-LHRNQBEKSA-N 1 3 307.463 2.119 20 0 DEADHO COC(=O)COc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000554887704 406827957 /nfs/dbraw/zinc/82/79/57/406827957.db2.gz OOZALSMBUHJDRB-WMLDXEAASA-N 1 3 320.433 2.010 20 0 DEADHO COC(=O)COc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000554887704 406827961 /nfs/dbraw/zinc/82/79/61/406827961.db2.gz OOZALSMBUHJDRB-WMLDXEAASA-N 1 3 320.433 2.010 20 0 DEADHO C[C@H](C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N1CCCCCC1 ZINC000646381280 406854061 /nfs/dbraw/zinc/85/40/61/406854061.db2.gz KPPVEHQIAADXOC-KURKYZTESA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H](C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C)[C@@H](N)c1ccccc1 ZINC000422541986 286763826 /nfs/dbraw/zinc/76/38/26/286763826.db2.gz PDZRIHNRMVATGA-SSOQLKFYSA-N 1 3 303.450 2.154 20 0 DEADHO CSc1ccccc1NC(=O)CC[NH2+][C@H]1C[C@H](N)C1(C)C ZINC000641803112 406896034 /nfs/dbraw/zinc/89/60/34/406896034.db2.gz DVTIOWJJCQXLNC-KBPBESRZSA-N 1 3 307.463 2.453 20 0 DEADHO C[C@H]1C[C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)CO1 ZINC000647182159 406966739 /nfs/dbraw/zinc/96/67/39/406966739.db2.gz KWMDXXHQIZSKHI-RDJZCZTQSA-N 1 3 304.434 2.428 20 0 DEADHO CN(C)CCOc1ccc(CN(C)C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000643296340 406976798 /nfs/dbraw/zinc/97/67/98/406976798.db2.gz SBCJVGVRBMTVOU-KRWDZBQOSA-N 1 3 305.466 2.153 20 0 DEADHO CN(C)CCOc1ccc(CN(C)C[C@@H]2CCC[N@H+]2C)cc1 ZINC000643296340 406976802 /nfs/dbraw/zinc/97/68/02/406976802.db2.gz SBCJVGVRBMTVOU-KRWDZBQOSA-N 1 3 305.466 2.153 20 0 DEADHO COCCc1nc(C)c([C@@H](C)N[C@@H]2CC23CC[NH2+]CC3)s1 ZINC000643536361 407012196 /nfs/dbraw/zinc/01/21/96/407012196.db2.gz TXICQPBQIQUGAW-DGCLKSJQSA-N 1 3 309.479 2.433 20 0 DEADHO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCNC3(CCC3)C2)C12CCOCC2 ZINC000643547169 407013097 /nfs/dbraw/zinc/01/30/97/407013097.db2.gz AMFGIOZXSCKPGO-OWCLPIDISA-N 1 3 308.466 2.225 20 0 DEADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)C12CCOCC2 ZINC000643547169 407013099 /nfs/dbraw/zinc/01/30/99/407013099.db2.gz AMFGIOZXSCKPGO-OWCLPIDISA-N 1 3 308.466 2.225 20 0 DEADHO CN(C)CCOc1ccc(CN2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000647541476 407016925 /nfs/dbraw/zinc/01/69/25/407016925.db2.gz AKUJBVULKLPKBX-IBGZPJMESA-N 1 3 317.477 2.203 20 0 DEADHO CN(C)CCOc1ccc(CN[C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000647553795 407019816 /nfs/dbraw/zinc/01/98/16/407019816.db2.gz JRDWIFPEZILNIU-GOSISDBHSA-N 1 3 317.477 2.391 20 0 DEADHO O=C(CN[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)Nc1ccc(Cl)cc1 ZINC000647790175 407051350 /nfs/dbraw/zinc/05/13/50/407051350.db2.gz UCEZQHMZLLVRDX-LALPHHSUSA-N 1 3 307.825 2.256 20 0 DEADHO C[C@@H]1CCNC[C@H]1[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000643457663 407002432 /nfs/dbraw/zinc/00/24/32/407002432.db2.gz VHHDUBPEPANUOT-NZSAHSFTSA-N 1 3 301.478 2.486 20 0 DEADHO COC[C@@H](CCC[NH3+])NC[C@@H](OC)c1ccccc1Cl ZINC000643467504 407003587 /nfs/dbraw/zinc/00/35/87/407003587.db2.gz NEACAMXCEZHHGO-IUODEOHRSA-N 1 3 300.830 2.371 20 0 DEADHO CN(CCN1CC[NH2+]CC1)Cc1cccc(-c2ccccn2)c1 ZINC000647493092 407006927 /nfs/dbraw/zinc/00/69/27/407006927.db2.gz UECFKLXXFYKLBX-UHFFFAOYSA-N 1 3 310.445 2.086 20 0 DEADHO CCCCCNC(=O)[C@H](C)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975576 407091810 /nfs/dbraw/zinc/09/18/10/407091810.db2.gz CCWVQQVALGGXRE-GVDBMIGSSA-N 1 3 309.498 2.393 20 0 DEADHO c1cc2n(n1)C[C@@H](CNC[C@H]1CCC[N@@H+]1C1CCCCC1)CN2 ZINC000648030718 407104825 /nfs/dbraw/zinc/10/48/25/407104825.db2.gz OESQJVFYJVHBTK-DOTOQJQBSA-N 1 3 317.481 2.312 20 0 DEADHO c1cc2n(n1)C[C@@H](CNC[C@H]1CCC[N@H+]1C1CCCCC1)CN2 ZINC000648030718 407104828 /nfs/dbraw/zinc/10/48/28/407104828.db2.gz OESQJVFYJVHBTK-DOTOQJQBSA-N 1 3 317.481 2.312 20 0 DEADHO O[C@H](CNc1[nH+]ccc2[nH]ccc21)CN1CCc2ccccc2C1 ZINC000647855482 407062531 /nfs/dbraw/zinc/06/25/31/407062531.db2.gz LHHPMFCPWKRSFD-MRXNPFEDSA-N 1 3 322.412 2.394 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)CC1CC[NH+](C)CC1 ZINC000643936600 407063385 /nfs/dbraw/zinc/06/33/85/407063385.db2.gz PSXHZEUMKVHXBW-UHFFFAOYSA-N 1 3 319.449 2.427 20 0 DEADHO CC[C@H]1CN(CCC(=O)N2CCc3sccc3C2)CC[C@@H]1[NH3+] ZINC000647936455 407079324 /nfs/dbraw/zinc/07/93/24/407079324.db2.gz FHKFWLKNZQXZMR-ZFWWWQNUSA-N 1 3 321.490 2.082 20 0 DEADHO CC(C)N(C)C[C@@H](O)C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000647967680 407088227 /nfs/dbraw/zinc/08/82/27/407088227.db2.gz VDAXKWUFTACQED-GOSISDBHSA-N 1 3 306.450 2.273 20 0 DEADHO CC[C@@H]1C[C@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)CCO1 ZINC000648503490 407190233 /nfs/dbraw/zinc/19/02/33/407190233.db2.gz PIQWXPHUNPWTBI-HZPDHXFCSA-N 1 3 307.438 2.069 20 0 DEADHO CN(C)CCN(CCCc1ccccc1)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000648151540 407126880 /nfs/dbraw/zinc/12/68/80/407126880.db2.gz PKLJOHULLJYEQY-KRWDZBQOSA-N 1 3 317.477 2.007 20 0 DEADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000648199104 407136972 /nfs/dbraw/zinc/13/69/72/407136972.db2.gz QSUBJABUOPDIJN-HOTGVXAUSA-N 1 3 303.450 2.095 20 0 DEADHO CCCN(C(=O)N[C@H](C)C[N@H+](CC)CCC)[C@@H]1CCN(C)C1 ZINC000645513172 407287730 /nfs/dbraw/zinc/28/77/30/407287730.db2.gz RBLJOQPJTMZLEU-HZPDHXFCSA-N 1 3 312.502 2.233 20 0 DEADHO CCCN(C(=O)N[C@H](C)C[N@@H+](CC)CCC)[C@@H]1CCN(C)C1 ZINC000645513172 407287731 /nfs/dbraw/zinc/28/77/31/407287731.db2.gz RBLJOQPJTMZLEU-HZPDHXFCSA-N 1 3 312.502 2.233 20 0 DEADHO Cc1ccccc1CN1CCC(NC(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000645564392 407294060 /nfs/dbraw/zinc/29/40/60/407294060.db2.gz DESKMGXXGMLGPB-QGZVFWFLSA-N 1 3 315.461 2.074 20 0 DEADHO C[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000124373992 287038102 /nfs/dbraw/zinc/03/81/02/287038102.db2.gz HKCWQNQQPNBCNO-ZIAGYGMSSA-N 1 3 322.474 2.225 20 0 DEADHO C[C@@H](CN[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC000130861558 196117812 /nfs/dbraw/zinc/11/78/12/196117812.db2.gz KNMCBJRETBBOLM-LSDHHAIUSA-N 1 3 311.470 2.317 20 0 DEADHO C[C@@H](C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)CN1CCCC1 ZINC000130861558 196117813 /nfs/dbraw/zinc/11/78/13/196117813.db2.gz KNMCBJRETBBOLM-LSDHHAIUSA-N 1 3 311.470 2.317 20 0 DEADHO C[C@@H]1C[C@@H](CN2CCN(CC(F)(F)F)CC2(C)C)CC[NH2+]1 ZINC000414707393 228534666 /nfs/dbraw/zinc/53/46/66/228534666.db2.gz HUTCEURFHCQICX-OLZOCXBDSA-N 1 3 307.404 2.333 20 0 DEADHO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000414803254 228561667 /nfs/dbraw/zinc/56/16/67/228561667.db2.gz NKDRMZVDAVNFHV-WZRBSPASSA-N 1 3 315.259 2.141 20 0 DEADHO C[C@H](Cn1cc(Br)cn1)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000414803254 228561668 /nfs/dbraw/zinc/56/16/68/228561668.db2.gz NKDRMZVDAVNFHV-WZRBSPASSA-N 1 3 315.259 2.141 20 0 DEADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)N(C)C)cc1 ZINC000417317874 229008534 /nfs/dbraw/zinc/00/85/34/229008534.db2.gz XOFADRFNOJJOCU-OIISXLGYSA-N 1 3 318.465 2.024 20 0 DEADHO C[NH+](C)CC[C@H](NC(=O)NC[C@H](N)c1ccccc1)C(C)(C)C ZINC000417678093 229066790 /nfs/dbraw/zinc/06/67/90/229066790.db2.gz IYGUPGZFWVUZNJ-HOTGVXAUSA-N 1 3 320.481 2.352 20 0 DEADHO CN(C(=O)NCC(C)(C)[NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418424009 229344254 /nfs/dbraw/zinc/34/42/54/229344254.db2.gz GKIYVZNINRDJJG-INIZCTEOSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCCC[NH3+] ZINC000418522985 229376707 /nfs/dbraw/zinc/37/67/07/229376707.db2.gz JULARDBCPSDWRM-INIZCTEOSA-N 1 3 318.465 2.031 20 0 DEADHO Cc1cccc(N2CCC([NH2+][C@@H]3CCNCC[C@H]3C)CC2)n1 ZINC000422754001 230190409 /nfs/dbraw/zinc/19/04/09/230190409.db2.gz FQIHZZNXCNOGBS-RHSMWYFYSA-N 1 3 302.466 2.337 20 0 DEADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCCn1ccc2ccccc21 ZINC000422755503 230193333 /nfs/dbraw/zinc/19/33/33/230193333.db2.gz ICRQROFYBYEDMP-UAGQMJEPSA-N 1 3 301.434 2.373 20 0 DEADHO COc1ccc(CN2CCC(C[NH2+][C@@H]3CCC[C@@H]3N)CC2)cc1 ZINC000422789399 230210219 /nfs/dbraw/zinc/21/02/19/230210219.db2.gz WOBYGPXCUOBSQU-RBUKOAKNSA-N 1 3 317.477 2.377 20 0 DEADHO Fc1ccc(-n2ccc(CCNC3C[C@H]4CC[C@@H](C3)[NH2+]4)n2)cc1 ZINC000422792650 230211107 /nfs/dbraw/zinc/21/11/07/230211107.db2.gz RGMBIINNVBPOGY-SJPCQFCGSA-N 1 3 314.408 2.427 20 0 DEADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000422828102 230230193 /nfs/dbraw/zinc/23/01/93/230230193.db2.gz STXKOVBDLAXCJZ-NWANDNLSSA-N 1 3 320.433 2.035 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCC(C)(C)c1ccc2c(c1)OCO2 ZINC000422828102 230230196 /nfs/dbraw/zinc/23/01/96/230230196.db2.gz STXKOVBDLAXCJZ-NWANDNLSSA-N 1 3 320.433 2.035 20 0 DEADHO Cc1cc(F)ccc1CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422868931 230250470 /nfs/dbraw/zinc/25/04/70/230250470.db2.gz VWUAGJIQWTYMPZ-KZNAEPCWSA-N 1 3 306.425 2.423 20 0 DEADHO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCCCC[C@H]3N)cn2)CCO1 ZINC000422881466 230256808 /nfs/dbraw/zinc/25/68/08/230256808.db2.gz NTDMOBIDJULEFV-DJIMGWMZSA-N 1 3 318.465 2.056 20 0 DEADHO COc1cc(OC)c(CC[NH2+][C@@H]2CCCC[C@@H]2CN)c(OC)c1 ZINC000422891522 230261283 /nfs/dbraw/zinc/26/12/83/230261283.db2.gz VOIJXLOFXNDRSR-CZUORRHYSA-N 1 3 322.449 2.362 20 0 DEADHO COc1cc(OC)c(CCN[C@@H]2CCCC[C@@H]2C[NH3+])c(OC)c1 ZINC000422891522 230261288 /nfs/dbraw/zinc/26/12/88/230261288.db2.gz VOIJXLOFXNDRSR-CZUORRHYSA-N 1 3 322.449 2.362 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1cc(Br)cs1 ZINC000422902706 230270247 /nfs/dbraw/zinc/27/02/47/230270247.db2.gz VBYLFTFANJYBTF-AXTRIDKLSA-N 1 3 319.268 2.353 20 0 DEADHO O=C(NCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)C1CCC1 ZINC000422922497 230277549 /nfs/dbraw/zinc/27/75/49/230277549.db2.gz SXXJXTDRVAKXCG-GVDBMIGSSA-N 1 3 307.482 2.193 20 0 DEADHO O=C(NCCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C1CCC1 ZINC000422922497 230277553 /nfs/dbraw/zinc/27/75/53/230277553.db2.gz SXXJXTDRVAKXCG-GVDBMIGSSA-N 1 3 307.482 2.193 20 0 DEADHO CO[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])c1cccc(Cl)c1 ZINC000422919372 230278317 /nfs/dbraw/zinc/27/83/17/230278317.db2.gz JSHMPZNJKPRSBF-RAEVTNRLSA-N 1 3 312.841 2.369 20 0 DEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000422955154 230293417 /nfs/dbraw/zinc/29/34/17/230293417.db2.gz ITQFQEBEDAFPIC-MAUKXSAKSA-N 1 3 315.461 2.416 20 0 DEADHO Fc1cccc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1F ZINC000422957634 230294497 /nfs/dbraw/zinc/29/44/97/230294497.db2.gz NUELONXRZGIDKE-CWRNSKLLSA-N 1 3 310.388 2.254 20 0 DEADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000422960950 230295057 /nfs/dbraw/zinc/29/50/57/230295057.db2.gz AFTBBTBZMRPXTM-XIRDDKMYSA-N 1 3 301.434 2.430 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCc1csc(C(C)(C)C)n1 ZINC000423020832 230319896 /nfs/dbraw/zinc/31/98/96/230319896.db2.gz CWSCWYOORIGSCA-FPMFFAJLSA-N 1 3 311.495 2.325 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](O)CCc1ccccc1 ZINC000423027366 230321261 /nfs/dbraw/zinc/32/12/61/230321261.db2.gz DDRMWVVKDNZYIT-RDTXWAMCSA-N 1 3 313.445 2.493 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000423027364 230321975 /nfs/dbraw/zinc/32/19/75/230321975.db2.gz DDRMWVVKDNZYIT-KDOFPFPSSA-N 1 3 313.445 2.493 20 0 DEADHO O[C@]1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[C@H](C(F)(F)F)C1 ZINC000423059618 230333140 /nfs/dbraw/zinc/33/31/40/230333140.db2.gz GDDHLNXOWPXUBD-BEUHCMRWSA-N 1 3 306.372 2.343 20 0 DEADHO C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1)[C@H]1CCCCN1 ZINC000423073324 230339263 /nfs/dbraw/zinc/33/92/63/230339263.db2.gz INUCPKYHWBUOBP-RUGDWHBFSA-N 1 3 306.425 2.412 20 0 DEADHO C[C@](CO)(CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000423107595 230353434 /nfs/dbraw/zinc/35/34/34/230353434.db2.gz LBTRLEVWJDLZKV-FCGDIQPGSA-N 1 3 302.462 2.447 20 0 DEADHO Cc1ccc(C[C@@H](CO)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1C ZINC000834914296 649859526 /nfs/dbraw/zinc/85/95/26/649859526.db2.gz LXIHLVQZDLZRDS-HRVKUGKESA-N 1 3 302.462 2.422 20 0 DEADHO Cc1ccc(C[C@@H](CO)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC000834914296 649859528 /nfs/dbraw/zinc/85/95/28/649859528.db2.gz LXIHLVQZDLZRDS-HRVKUGKESA-N 1 3 302.462 2.422 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CC1([NH3+])CCC1 ZINC000398109172 424922459 /nfs/dbraw/zinc/92/24/59/424922459.db2.gz CKAPIRURPICCRU-NVXWUHKLSA-N 1 3 315.461 2.285 20 0 DEADHO CN(C(=O)CC1([NH3+])CCC1)C1CCN(Cc2ccccc2)CC1 ZINC000309918280 424893895 /nfs/dbraw/zinc/89/38/95/424893895.db2.gz PIDTXBBYMMAYFK-UHFFFAOYSA-N 1 3 315.461 2.381 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC[N@@H+]1C ZINC000648719643 424897879 /nfs/dbraw/zinc/89/78/79/424897879.db2.gz FVKJCEUGXZPDAM-KBAYOESNSA-N 1 3 315.461 2.280 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC[N@H+]1C ZINC000648719643 424897881 /nfs/dbraw/zinc/89/78/81/424897881.db2.gz FVKJCEUGXZPDAM-KBAYOESNSA-N 1 3 315.461 2.280 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+]CC2(CF)CCOCC2)cc1 ZINC000648735813 424900161 /nfs/dbraw/zinc/90/01/61/424900161.db2.gz QXODTPKEHBGOPB-UHFFFAOYSA-N 1 3 324.440 2.483 20 0 DEADHO CO[C@H]1CC[N@H+](Cc2ccc(OCCN(C)C)cc2)C[C@H]1C ZINC000648742361 424901110 /nfs/dbraw/zinc/90/11/10/424901110.db2.gz SCZCKJIBXYWPJP-QAPCUYQASA-N 1 3 306.450 2.484 20 0 DEADHO CO[C@H]1CC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C[C@H]1C ZINC000648742361 424901112 /nfs/dbraw/zinc/90/11/12/424901112.db2.gz SCZCKJIBXYWPJP-QAPCUYQASA-N 1 3 306.450 2.484 20 0 DEADHO CO[C@@H](Cc1ccccc1)C[NH+]1CCC(OCCN(C)C)CC1 ZINC000649310038 424991398 /nfs/dbraw/zinc/99/13/98/424991398.db2.gz ULJDRTJQAGDIIX-IBGZPJMESA-N 1 3 320.477 2.287 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CNCc3ccccc32)C[C@H]1C ZINC000649340234 424996690 /nfs/dbraw/zinc/99/66/90/424996690.db2.gz LBWKKKNEAVSGCE-UWWQBHOKSA-N 1 3 315.461 2.205 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CNCc3ccccc32)C[C@H]1C ZINC000649340234 424996692 /nfs/dbraw/zinc/99/66/92/424996692.db2.gz LBWKKKNEAVSGCE-UWWQBHOKSA-N 1 3 315.461 2.205 20 0 DEADHO CN(C)c1ncc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000650721970 425041969 /nfs/dbraw/zinc/04/19/69/425041969.db2.gz HJCNYRXILPXUGT-CFVMTHIKSA-N 1 3 324.494 2.070 20 0 DEADHO CCOc1cccc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)n1 ZINC000650724092 425042954 /nfs/dbraw/zinc/04/29/54/425042954.db2.gz YEVHXHJSVQYTQK-USXIJHARSA-N 1 3 319.449 2.341 20 0 DEADHO CC[N@H+](CCCN[C@H](C1CC1)[C@@H]1CNCCO1)C1CCCCC1 ZINC000650741755 425045890 /nfs/dbraw/zinc/04/58/90/425045890.db2.gz KTEPWBVHJDSNKF-RBUKOAKNSA-N 1 3 323.525 2.388 20 0 DEADHO CC[N@@H+](CCCN[C@H](C1CC1)[C@@H]1CNCCO1)C1CCCCC1 ZINC000650741755 425045893 /nfs/dbraw/zinc/04/58/93/425045893.db2.gz KTEPWBVHJDSNKF-RBUKOAKNSA-N 1 3 323.525 2.388 20 0 DEADHO CC[N@H+](CCCN[C@H](C)C[C@@H]1COCCN1)C1CCCCC1 ZINC000650741694 425046380 /nfs/dbraw/zinc/04/63/80/425046380.db2.gz JRDBONQHYLGINC-IAGOWNOFSA-N 1 3 311.514 2.388 20 0 DEADHO CC[N@@H+](CCCN[C@H](C)C[C@@H]1COCCN1)C1CCCCC1 ZINC000650741694 425046381 /nfs/dbraw/zinc/04/63/81/425046381.db2.gz JRDBONQHYLGINC-IAGOWNOFSA-N 1 3 311.514 2.388 20 0 DEADHO C[C@@H](NCCC1(C[NH3+])CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000650744807 425046574 /nfs/dbraw/zinc/04/65/74/425046574.db2.gz WCZPBOJOAPUYAV-LLVKDONJSA-N 1 3 314.426 2.009 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)CCN1CCCCC1 ZINC000650892336 425073294 /nfs/dbraw/zinc/07/32/94/425073294.db2.gz KYFXCRSOBKWGPY-QGZVFWFLSA-N 1 3 324.513 2.378 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)CCN1CCCCC1 ZINC000650892336 425073297 /nfs/dbraw/zinc/07/32/97/425073297.db2.gz KYFXCRSOBKWGPY-QGZVFWFLSA-N 1 3 324.513 2.378 20 0 DEADHO COC[C@@H]1C[C@@H](O)CN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000649745420 425074484 /nfs/dbraw/zinc/07/44/84/425074484.db2.gz NXEXOTPXGSIJMK-RBUKOAKNSA-N 1 3 318.461 2.254 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000651196704 425115007 /nfs/dbraw/zinc/11/50/07/425115007.db2.gz KBGRTZQFIFXNEP-MRXNPFEDSA-N 1 3 312.502 2.088 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000651196704 425115009 /nfs/dbraw/zinc/11/50/09/425115009.db2.gz KBGRTZQFIFXNEP-MRXNPFEDSA-N 1 3 312.502 2.088 20 0 DEADHO C(c1nc2c(s1)CNCC2)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000663494106 425172105 /nfs/dbraw/zinc/17/21/05/425172105.db2.gz MHHFLILUNHAHRL-KGLIPLIRSA-N 1 3 320.506 2.000 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000666753828 425175005 /nfs/dbraw/zinc/17/50/05/425175005.db2.gz AXCKJGDFYVIWTC-INIZCTEOSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H](CNC(=O)NC[C@@H]1CCN1C(C)(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000660641922 425185868 /nfs/dbraw/zinc/18/58/68/425185868.db2.gz LXPDUBPGPUUGCS-PMPSAXMXSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H](CNC(=O)NC[C@@H]1CCN1C(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000660641922 425185874 /nfs/dbraw/zinc/18/58/74/425185874.db2.gz LXPDUBPGPUUGCS-PMPSAXMXSA-N 1 3 324.513 2.279 20 0 DEADHO COCCCn1nccc1CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656783376 425189387 /nfs/dbraw/zinc/18/93/87/425189387.db2.gz QKSUMYWGNWVLQM-QGZVFWFLSA-N 1 3 320.481 2.131 20 0 DEADHO C[N@@H+]1CCCC[C@H]1CN1CCN(c2nccc3[nH]ccc32)CC1 ZINC000663576332 425191018 /nfs/dbraw/zinc/19/10/18/425191018.db2.gz VOEYXJJZGYWHRC-HNNXBMFYSA-N 1 3 313.449 2.169 20 0 DEADHO C[N@H+]1CCCC[C@H]1CN1CCN(c2nccc3[nH]ccc32)CC1 ZINC000663576332 425191021 /nfs/dbraw/zinc/19/10/21/425191021.db2.gz VOEYXJJZGYWHRC-HNNXBMFYSA-N 1 3 313.449 2.169 20 0 DEADHO C[C@@H]1CCCCC[C@@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000651830529 425148877 /nfs/dbraw/zinc/14/88/77/425148877.db2.gz WYLVAYCSSKVCIC-MSOLQXFVSA-N 1 3 323.525 2.341 20 0 DEADHO CC[N@H+](CCCN[C@@H]1CCN(CCOC)C1)C1CCCCC1 ZINC000651910303 425152075 /nfs/dbraw/zinc/15/20/75/425152075.db2.gz OQPDQTGLTBAIQP-QGZVFWFLSA-N 1 3 311.514 2.341 20 0 DEADHO CC[N@@H+](CCCN[C@@H]1CCN(CCOC)C1)C1CCCCC1 ZINC000651910303 425152076 /nfs/dbraw/zinc/15/20/76/425152076.db2.gz OQPDQTGLTBAIQP-QGZVFWFLSA-N 1 3 311.514 2.341 20 0 DEADHO CCN1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000666663513 425155908 /nfs/dbraw/zinc/15/59/08/425155908.db2.gz OUINMLNYTUPSNT-INIZCTEOSA-N 1 3 322.497 2.131 20 0 DEADHO CCN1CCCN(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000666663513 425155911 /nfs/dbraw/zinc/15/59/11/425155911.db2.gz OUINMLNYTUPSNT-INIZCTEOSA-N 1 3 322.497 2.131 20 0 DEADHO C[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)C(C)(C)n1cncn1 ZINC000663466622 425163973 /nfs/dbraw/zinc/16/39/73/425163973.db2.gz WCAVXYZOWMDPAF-HOCLYGCPSA-N 1 3 305.470 2.113 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)NC3CC(C)(C)C3)CC2)CC1 ZINC000660573643 425164439 /nfs/dbraw/zinc/16/44/39/425164439.db2.gz JVIKFOAAZMGDJP-UHFFFAOYSA-N 1 3 322.497 2.033 20 0 DEADHO CC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000660573295 425164844 /nfs/dbraw/zinc/16/48/44/425164844.db2.gz HZQMUKUXHOGCOU-QGZVFWFLSA-N 1 3 322.497 2.033 20 0 DEADHO CC(=O)NC1CCC([NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC000663465159 425164875 /nfs/dbraw/zinc/16/48/75/425164875.db2.gz IHYGUZTZEREDGK-WWDZGPRUSA-N 1 3 307.482 2.145 20 0 DEADHO OC[C@@H]1CCCCCN1C/C=C\C[N@@H+]1CCCCC[C@H]1CO ZINC000653783424 425228223 /nfs/dbraw/zinc/22/82/23/425228223.db2.gz KOIFMRHFUVSFIH-OPDSQHBBSA-N 1 3 310.482 2.016 20 0 DEADHO OC[C@@H]1CCCCCN1C/C=C\C[N@H+]1CCCCC[C@H]1CO ZINC000653783424 425228226 /nfs/dbraw/zinc/22/82/26/425228226.db2.gz KOIFMRHFUVSFIH-OPDSQHBBSA-N 1 3 310.482 2.016 20 0 DEADHO CCN(C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1)[C@H]1CCN(CC)C1 ZINC000663794990 425238947 /nfs/dbraw/zinc/23/89/47/425238947.db2.gz ZHINTNFNULUVKN-BBWFWOEESA-N 1 3 324.513 2.233 20 0 DEADHO CCN(C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1)[C@H]1CCN(CC)C1 ZINC000663794990 425238949 /nfs/dbraw/zinc/23/89/49/425238949.db2.gz ZHINTNFNULUVKN-BBWFWOEESA-N 1 3 324.513 2.233 20 0 DEADHO CCN1CCC([N@@H+]2CCCN(Cc3cccc(N)c3)CC2)CC1 ZINC000660834687 425251324 /nfs/dbraw/zinc/25/13/24/425251324.db2.gz PQXSRYPGLVXXED-UHFFFAOYSA-N 1 3 316.493 2.261 20 0 DEADHO CCN1CCC([N@H+]2CCCN(Cc3cccc(N)c3)CC2)CC1 ZINC000660834687 425251328 /nfs/dbraw/zinc/25/13/28/425251328.db2.gz PQXSRYPGLVXXED-UHFFFAOYSA-N 1 3 316.493 2.261 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)Cc1ccccc1 ZINC000657071109 425253499 /nfs/dbraw/zinc/25/34/99/425253499.db2.gz FLDDALJQHBUVDG-INIZCTEOSA-N 1 3 320.481 2.100 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)Cc1ccccc1 ZINC000657071109 425253504 /nfs/dbraw/zinc/25/35/04/425253504.db2.gz FLDDALJQHBUVDG-INIZCTEOSA-N 1 3 320.481 2.100 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CCN1C ZINC000660859176 425261121 /nfs/dbraw/zinc/26/11/21/425261121.db2.gz WQAFVUNRCCPFIE-PMPSAXMXSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CCN1C ZINC000660859176 425261124 /nfs/dbraw/zinc/26/11/24/425261124.db2.gz WQAFVUNRCCPFIE-PMPSAXMXSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000660869896 425263652 /nfs/dbraw/zinc/26/36/52/425263652.db2.gz UUJAHZCZCWXZEU-JYJNAYRXSA-N 1 3 322.497 2.031 20 0 DEADHO CO[C@H](CN1CCOC2(CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000660902200 425271423 /nfs/dbraw/zinc/27/14/23/425271423.db2.gz DAXNTRCWVQPNDU-QGZVFWFLSA-N 1 3 310.482 2.378 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000652523642 425290684 /nfs/dbraw/zinc/29/06/84/425290684.db2.gz XFIWZWOHQHIZTJ-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000652523642 425290686 /nfs/dbraw/zinc/29/06/86/425290686.db2.gz XFIWZWOHQHIZTJ-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(CC)[C@H]1CCN(C)C1 ZINC000664043462 425296072 /nfs/dbraw/zinc/29/60/72/425296072.db2.gz KFVIVCDDEVAZNW-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(CC)[C@H]1CCN(C)C1 ZINC000664043462 425296075 /nfs/dbraw/zinc/29/60/75/425296075.db2.gz KFVIVCDDEVAZNW-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000654388080 425340971 /nfs/dbraw/zinc/34/09/71/425340971.db2.gz HKJYONYZZCKIRT-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CO1 ZINC000657350625 425311648 /nfs/dbraw/zinc/31/16/48/425311648.db2.gz VFAMJDHZLPELSI-IEBWSBKVSA-N 1 3 318.461 2.300 20 0 DEADHO CN1CCCN(CCC[NH2+]Cc2cc3ccncc3s2)CC1 ZINC000657349173 425312248 /nfs/dbraw/zinc/31/22/48/425312248.db2.gz DQBQDRSUKSEQHA-UHFFFAOYSA-N 1 3 318.490 2.414 20 0 DEADHO C[C@@H](C[NH+](C)C)NCc1c(Cl)cccc1N1CCN(C)CC1 ZINC000657464903 425342047 /nfs/dbraw/zinc/34/20/47/425342047.db2.gz BDYPJEKPWHAPSP-AWEZNQCLSA-N 1 3 324.900 2.132 20 0 DEADHO Cc1cnc(CNCC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000657537391 425359176 /nfs/dbraw/zinc/35/91/76/425359176.db2.gz JLWSRAGLHSJWIV-UHFFFAOYSA-N 1 3 309.479 2.432 20 0 DEADHO FC(F)Cn1cc(CNCC2CC[NH+](CC3CC3)CC2)cn1 ZINC000657814107 425404338 /nfs/dbraw/zinc/40/43/38/425404338.db2.gz HYICWSTZSCRMOC-UHFFFAOYSA-N 1 3 312.408 2.360 20 0 DEADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)C1 ZINC000653113110 425407746 /nfs/dbraw/zinc/40/77/46/425407746.db2.gz SXOZHIZBULIWIL-BMFZPTHFSA-N 1 3 307.482 2.144 20 0 DEADHO CCCCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653113994 425408715 /nfs/dbraw/zinc/40/87/15/425408715.db2.gz VHTWDFRVWZFLQU-IKGGRYGDSA-N 1 3 307.482 2.288 20 0 DEADHO CC[C@]1(C(=O)NC2CCN(Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000128701667 267431112 /nfs/dbraw/zinc/43/11/12/267431112.db2.gz PWYKQSQXKFJERU-LJQANCHMSA-N 1 3 315.461 2.299 20 0 DEADHO C[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)C(C)(C)C(F)F ZINC000657881631 425412105 /nfs/dbraw/zinc/41/21/05/425412105.db2.gz XVOLORRWWNVBFM-OLZOCXBDSA-N 1 3 303.441 2.424 20 0 DEADHO CCCN1CC[C@H](NC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)C1 ZINC000661257519 425363967 /nfs/dbraw/zinc/36/39/67/425363967.db2.gz UFJHOAPELJPLLA-IRXDYDNUSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@H](C)O1 ZINC000657613831 425377146 /nfs/dbraw/zinc/37/71/46/425377146.db2.gz SEABFVSYEFCODB-VKJFTORMSA-N 1 3 303.450 2.449 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@@H](C)O1 ZINC000657613829 425377642 /nfs/dbraw/zinc/37/76/42/425377642.db2.gz SEABFVSYEFCODB-RKVPGOIHSA-N 1 3 303.450 2.449 20 0 DEADHO COC[C@H](CC1CCOCC1)NC1CC([NH+]2CCCCC2)C1 ZINC000658000226 425425379 /nfs/dbraw/zinc/42/53/79/425425379.db2.gz WSEVDLPEXLNFJQ-ADKAHSJRSA-N 1 3 310.482 2.425 20 0 DEADHO C[NH2+]Cc1ccccc1CNC(=O)[C@H](N)CC1CCCCC1 ZINC000653214767 425436394 /nfs/dbraw/zinc/43/63/94/425436394.db2.gz ALJDKHAFQSSTAS-QGZVFWFLSA-N 1 3 303.450 2.320 20 0 DEADHO [NH3+]CC1(CCNC(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000653220292 425437871 /nfs/dbraw/zinc/43/78/71/425437871.db2.gz AITDYXQSVZHDOY-UHFFFAOYSA-N 1 3 315.461 2.144 20 0 DEADHO C[C@H]([NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1)[C@@H]1CCCOC1 ZINC000658137661 425443683 /nfs/dbraw/zinc/44/36/83/425443683.db2.gz LEXAEIUYKTYMTF-KFKAGJAMSA-N 1 3 318.461 2.158 20 0 DEADHO COC[C@H](CC(C)C)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658139876 425444621 /nfs/dbraw/zinc/44/46/21/425444621.db2.gz NGQPHDUEGVLIQB-OALUTQOASA-N 1 3 320.477 2.404 20 0 DEADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000655246218 425522775 /nfs/dbraw/zinc/52/27/75/425522775.db2.gz DDZXFWTUVMUOEL-MAEOIBBWSA-N 1 3 315.461 2.352 20 0 DEADHO Nc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000665272812 425534794 /nfs/dbraw/zinc/53/47/94/425534794.db2.gz LTSMPIJAMCKXHK-ZJPYXAASSA-N 1 3 301.434 2.003 20 0 DEADHO CC(C)[C@H]([NH3+])CCN[C@H](C)[C@@H](c1ccccc1)N1CCOCC1 ZINC000665280702 425535436 /nfs/dbraw/zinc/53/54/36/425535436.db2.gz JFIOMSMEAUUIRN-QRQLOZEOSA-N 1 3 319.493 2.411 20 0 DEADHO COC[C@@H](CCC[NH3+])NCc1cc(F)ccc1OC(F)F ZINC000665282975 425536260 /nfs/dbraw/zinc/53/62/60/425536260.db2.gz FOOUHURLYHRMIH-GFCCVEGCSA-N 1 3 306.328 2.271 20 0 DEADHO CC[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C)C1CC1 ZINC000661761903 425495577 /nfs/dbraw/zinc/49/55/77/425495577.db2.gz KROFDPUIDDWGOH-DLBZAZTESA-N 1 3 303.450 2.184 20 0 DEADHO Cc1ccccc1CN1CCCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC000655444041 425567788 /nfs/dbraw/zinc/56/77/88/425567788.db2.gz IKDLNNAQYXBPSA-UHFFFAOYSA-N 1 3 315.461 2.171 20 0 DEADHO O=C(C[C@H]1NCc2ccccc21)NCc1ccc2c(c1)C[NH2+]C2 ZINC000659305788 425572862 /nfs/dbraw/zinc/57/28/62/425572862.db2.gz YQAPBWPQGLKEMO-GOSISDBHSA-N 1 3 307.397 2.141 20 0 DEADHO C[NH+](C)CC1CCC(NC(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000659319778 425576382 /nfs/dbraw/zinc/57/63/82/425576382.db2.gz WLQGADMLPGTFMT-PVARCSIZSA-N 1 3 315.461 2.458 20 0 DEADHO C[C@@H]1CCCN(C(=O)C[C@H]2NCc3ccccc32)[C@H]1CC[NH3+] ZINC000659328539 425579138 /nfs/dbraw/zinc/57/91/38/425579138.db2.gz OJJYYYDNQOVUPQ-XYPHTWIQSA-N 1 3 301.434 2.197 20 0 DEADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000655488670 425580502 /nfs/dbraw/zinc/58/05/02/425580502.db2.gz DWANFJQHBSQMAD-VNQPRFMTSA-N 1 3 303.450 2.169 20 0 DEADHO COc1ccnc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1OC ZINC000662273029 425610966 /nfs/dbraw/zinc/61/09/66/425610966.db2.gz JSIQVRQXUPZWQL-GJZGRUSLSA-N 1 3 319.449 2.310 20 0 DEADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000665552590 425594533 /nfs/dbraw/zinc/59/45/33/425594533.db2.gz FGHVSEFMGVMRSH-PMPSAXMXSA-N 1 3 322.497 2.127 20 0 DEADHO CC(C)(C)N1CC[C@@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000665557596 425596618 /nfs/dbraw/zinc/59/66/18/425596618.db2.gz ZKYBMDCQDSRLPP-CVEARBPZSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)(C)N1CC[C@@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000665557598 425598129 /nfs/dbraw/zinc/59/81/29/425598129.db2.gz ZKYBMDCQDSRLPP-HZPDHXFCSA-N 1 3 322.497 2.129 20 0 DEADHO CC1(C)CN(C[C@H]2CCC3(C[NH2+]C3)O2)CC[C@@H]1C(F)(F)F ZINC000662280895 425611523 /nfs/dbraw/zinc/61/15/23/425611523.db2.gz GXDCHGFPHISKEX-NEPJUHHUSA-N 1 3 306.372 2.418 20 0 DEADHO Fc1ccc(C[C@@H]2CCC[N@@H+]2C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662251713 425601394 /nfs/dbraw/zinc/60/13/94/425601394.db2.gz DURRUOKPKXIPGB-DLBZAZTESA-N 1 3 304.409 2.354 20 0 DEADHO Fc1ccc(C[C@@H]2CCC[N@H+]2C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662251713 425601398 /nfs/dbraw/zinc/60/13/98/425601398.db2.gz DURRUOKPKXIPGB-DLBZAZTESA-N 1 3 304.409 2.354 20 0 DEADHO CC(C)C(=O)N1CCCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662253233 425601678 /nfs/dbraw/zinc/60/16/78/425601678.db2.gz UQTGYFAYYGQZTE-UHFFFAOYSA-N 1 3 315.461 2.023 20 0 DEADHO c1ccc(CC2CC[NH+](C[C@H]3CCC4(CNC4)O3)CC2)cc1 ZINC000662250112 425602677 /nfs/dbraw/zinc/60/26/77/425602677.db2.gz YEEXDVROIKICJF-GOSISDBHSA-N 1 3 300.446 2.462 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000659442019 425603678 /nfs/dbraw/zinc/60/36/78/425603678.db2.gz KJMSUAIWFUAYBQ-HOCLYGCPSA-N 1 3 318.465 2.201 20 0 DEADHO CCC[N@H+](C[C@@H]1CCC2(CNC2)O1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000662255992 425604721 /nfs/dbraw/zinc/60/47/21/425604721.db2.gz HHDOZPXGTWVGMV-JJXSEGSLSA-N 1 3 308.466 2.033 20 0 DEADHO CCC[N@@H+](C[C@@H]1CCC2(CNC2)O1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000662255992 425604723 /nfs/dbraw/zinc/60/47/23/425604723.db2.gz HHDOZPXGTWVGMV-JJXSEGSLSA-N 1 3 308.466 2.033 20 0 DEADHO CN(Cc1ccccc1N1CCCC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662259718 425605082 /nfs/dbraw/zinc/60/50/82/425605082.db2.gz AROPRFVVDVGEHV-KRWDZBQOSA-N 1 3 315.461 2.240 20 0 DEADHO C[N@H+](C[C@@H]1CCC2(CNC2)O1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000662263114 425606538 /nfs/dbraw/zinc/60/65/38/425606538.db2.gz KWDNKZKLTRWHPM-MSOLQXFVSA-N 1 3 315.461 2.108 20 0 DEADHO C[N@@H+](C[C@@H]1CCC2(CNC2)O1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000662263114 425606542 /nfs/dbraw/zinc/60/65/42/425606542.db2.gz KWDNKZKLTRWHPM-MSOLQXFVSA-N 1 3 315.461 2.108 20 0 DEADHO C[NH2+]C[C@H](C)NC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000659456166 425607263 /nfs/dbraw/zinc/60/72/63/425607263.db2.gz IPJUPWYKVQOBQG-DOTOQJQBSA-N 1 3 318.465 2.121 20 0 DEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc2c1CNC2 ZINC000662405888 425643480 /nfs/dbraw/zinc/64/34/80/425643480.db2.gz AEMXETPNHQKPQP-QLFBSQMISA-N 1 3 315.461 2.386 20 0 DEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc2c1CNC2 ZINC000662405888 425643487 /nfs/dbraw/zinc/64/34/87/425643487.db2.gz AEMXETPNHQKPQP-QLFBSQMISA-N 1 3 315.461 2.386 20 0 DEADHO c1ncn2cc(C[NH2+]C3CCN(C[C@@H]4CCCO4)CC3)ccc12 ZINC000655774744 425651030 /nfs/dbraw/zinc/65/10/30/425651030.db2.gz FXOXQSBYZUZBJS-SFHVURJKSA-N 1 3 314.433 2.067 20 0 DEADHO c1ncn2cc(CNC3CC[NH+](C[C@@H]4CCCO4)CC3)ccc12 ZINC000655774744 425651036 /nfs/dbraw/zinc/65/10/36/425651036.db2.gz FXOXQSBYZUZBJS-SFHVURJKSA-N 1 3 314.433 2.067 20 0 DEADHO O=C(c1cccc2c1CNC2)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000662478856 425661659 /nfs/dbraw/zinc/66/16/59/425661659.db2.gz UWDLXSJWQJMQKO-OAHLLOKOSA-N 1 3 313.445 2.238 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662483668 425662092 /nfs/dbraw/zinc/66/20/92/425662092.db2.gz ACEOPLSOIPTTEE-WBVHZDCISA-N 1 3 301.434 2.164 20 0 DEADHO CN[C@@H](C)C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000662507165 425668179 /nfs/dbraw/zinc/66/81/79/425668179.db2.gz PRDQRZATBWLTOS-HLLBOEOZSA-N 1 3 303.450 2.011 20 0 DEADHO CN[C@@H](C)C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000662507165 425668181 /nfs/dbraw/zinc/66/81/81/425668181.db2.gz PRDQRZATBWLTOS-HLLBOEOZSA-N 1 3 303.450 2.011 20 0 DEADHO CC(C)[NH2+]CC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000662525979 425674096 /nfs/dbraw/zinc/67/40/96/425674096.db2.gz NNBNOHGEGLAGOD-QGZVFWFLSA-N 1 3 303.450 2.328 20 0 DEADHO C[C@@H]([NH2+]C[C@@H]1CCC2(CNC2)O1)c1cccc(-n2cccn2)c1 ZINC000662281344 425612496 /nfs/dbraw/zinc/61/24/96/425612496.db2.gz JSNIBQQTNBXDHC-PBHICJAKSA-N 1 3 312.417 2.044 20 0 DEADHO CCC[C@H](C)NC(=O)[C@@H](C)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290241 425613666 /nfs/dbraw/zinc/61/36/66/425613666.db2.gz BLJVVYPIMGWXEA-ZMSDIMECSA-N 1 3 309.498 2.391 20 0 DEADHO CCC(CC)NC(=O)[C@H](C)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290852 425614897 /nfs/dbraw/zinc/61/48/97/425614897.db2.gz LYWZUKGISHKOFK-HOCLYGCPSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H](C(=O)N1CCCCC1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662292491 425615254 /nfs/dbraw/zinc/61/52/54/425615254.db2.gz NFZJBNWBNJYQBS-RDJZCZTQSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)CN(C(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1)C1CC1 ZINC000662294165 425615820 /nfs/dbraw/zinc/61/58/20/425615820.db2.gz BLGMQUPUMLFKHC-QGZVFWFLSA-N 1 3 321.509 2.345 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN2CCCC[C@@H]2[C@@H](C)CO)cc1 ZINC000662301781 425618582 /nfs/dbraw/zinc/61/85/82/425618582.db2.gz UGTSXKYNDPXRQC-YXJHDRRASA-N 1 3 306.450 2.220 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@@H](C)[C@H]2CCO)cc1 ZINC000662302879 425619449 /nfs/dbraw/zinc/61/94/49/425619449.db2.gz PAUFJSLWCBTHRA-QGPMSJSTSA-N 1 3 306.450 2.220 20 0 DEADHO O=C(C[C@H]1NCc2ccccc21)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000662339468 425627685 /nfs/dbraw/zinc/62/76/85/425627685.db2.gz YUBCPWNOVBISDA-ZWKOTPCHSA-N 1 3 313.445 2.212 20 0 DEADHO CC(C)C[C@H](C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)N(C)C ZINC000655686365 425628422 /nfs/dbraw/zinc/62/84/22/425628422.db2.gz FBSRGPRUCPJEMD-MSOLQXFVSA-N 1 3 311.514 2.196 20 0 DEADHO CN(C)[C@@H](CNC1CC[NH+]([C@H]2CCOC2)CC1)c1cccs1 ZINC000655689044 425629903 /nfs/dbraw/zinc/62/99/03/425629903.db2.gz DMMHUIQYZPTHEJ-HOTGVXAUSA-N 1 3 323.506 2.194 20 0 DEADHO CN(C)[C@@H](CNC1CC[NH+]([C@H]2CCOC2)CC1)c1ccsc1 ZINC000655695346 425631461 /nfs/dbraw/zinc/63/14/61/425631461.db2.gz JZDHXPKRNBNGEV-IRXDYDNUSA-N 1 3 323.506 2.194 20 0 DEADHO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000655698494 425632125 /nfs/dbraw/zinc/63/21/25/425632125.db2.gz GHXINRSGIKDHML-AOIWGVFYSA-N 1 3 323.525 2.340 20 0 DEADHO CN(C)CC[C@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)C(C)(C)C ZINC000655715168 425637052 /nfs/dbraw/zinc/63/70/52/425637052.db2.gz IHPPPODWUOANAI-IRXDYDNUSA-N 1 3 311.514 2.196 20 0 DEADHO C[C@H](C[NH+]1CCCCC1)NC(=O)C[C@@H]1NCc2ccccc21 ZINC000662384587 425638800 /nfs/dbraw/zinc/63/88/00/425638800.db2.gz YONDOFNCOOQABO-PBHICJAKSA-N 1 3 301.434 2.212 20 0 DEADHO C[C@H]1CCC[N@H+](CCNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662386708 425639250 /nfs/dbraw/zinc/63/92/50/425639250.db2.gz FOUBHXYULBUDQU-WMLDXEAASA-N 1 3 301.434 2.069 20 0 DEADHO C[C@H]1CCC[N@@H+](CCNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662386708 425639254 /nfs/dbraw/zinc/63/92/54/425639254.db2.gz FOUBHXYULBUDQU-WMLDXEAASA-N 1 3 301.434 2.069 20 0 DEADHO C[C@H](CC(C)(C)C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665763716 425640238 /nfs/dbraw/zinc/64/02/38/425640238.db2.gz KAADVBDAXCKAJN-CABCVRRESA-N 1 3 314.518 2.382 20 0 DEADHO C[C@H](CC(C)(C)C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665763716 425640241 /nfs/dbraw/zinc/64/02/41/425640241.db2.gz KAADVBDAXCKAJN-CABCVRRESA-N 1 3 314.518 2.382 20 0 DEADHO [NH3+]C1(CNC(=O)C[C@@H]2NCc3ccccc32)CCCCCC1 ZINC000662398102 425641769 /nfs/dbraw/zinc/64/17/69/425641769.db2.gz OKUBUSZLWPALMR-INIZCTEOSA-N 1 3 301.434 2.389 20 0 DEADHO C[NH2+]C[C@H](C)NC(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000659641850 425642246 /nfs/dbraw/zinc/64/22/46/425642246.db2.gz ITBYSFKHKOSVIN-AWEZNQCLSA-N 1 3 312.502 2.136 20 0 DEADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000662840057 425745121 /nfs/dbraw/zinc/74/51/21/425745121.db2.gz XFRAWVQQNKKTKX-JZAWBGDQSA-N 1 3 305.466 2.040 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000662811662 425742927 /nfs/dbraw/zinc/74/29/27/425742927.db2.gz ABFAVZMYYSPKKE-RYQLBKOJSA-N 1 3 313.445 2.212 20 0 DEADHO [NH3+]CCN(CCc1ccccc1)C(=O)C[C@@H]1NCc2ccccc21 ZINC000662562222 425681063 /nfs/dbraw/zinc/68/10/63/425681063.db2.gz HQDGYODGNXTWDM-IBGZPJMESA-N 1 3 323.440 2.251 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000662589783 425686996 /nfs/dbraw/zinc/68/69/96/425686996.db2.gz DXTIQXBYNQELQG-GOEBONIOSA-N 1 3 303.450 2.313 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000662589783 425686999 /nfs/dbraw/zinc/68/69/99/425686999.db2.gz DXTIQXBYNQELQG-GOEBONIOSA-N 1 3 303.450 2.313 20 0 DEADHO N[C@H](CC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)c1ccccc1 ZINC000662587584 425687005 /nfs/dbraw/zinc/68/70/05/425687005.db2.gz HYTXAONHZYIDGQ-ZWKOTPCHSA-N 1 3 315.461 2.315 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C[C@H](N)c2ccccc2)C1 ZINC000662589785 425687963 /nfs/dbraw/zinc/68/79/63/425687963.db2.gz DXTIQXBYNQELQG-ZBFHGGJFSA-N 1 3 303.450 2.313 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C[C@H](N)c2ccccc2)C1 ZINC000662589785 425687976 /nfs/dbraw/zinc/68/79/76/425687976.db2.gz DXTIQXBYNQELQG-ZBFHGGJFSA-N 1 3 303.450 2.313 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000655967106 425696215 /nfs/dbraw/zinc/69/62/15/425696215.db2.gz MQRUIAAZTRRGIC-OAHLLOKOSA-N 1 3 310.486 2.020 20 0 DEADHO CN(C)[C@H](CNC(=O)C1([NH3+])CC2(CCC2)C1)c1ccccc1 ZINC000662661681 425706098 /nfs/dbraw/zinc/70/60/98/425706098.db2.gz TVVMWFMOABRILG-OAHLLOKOSA-N 1 3 301.434 2.067 20 0 DEADHO CCN(CC)[C@H](CNC(=O)CC1([NH3+])CC1)c1cccc(OC)c1 ZINC000662670503 425707968 /nfs/dbraw/zinc/70/79/68/425707968.db2.gz LIGXMJCMGFSVIU-MRXNPFEDSA-N 1 3 319.449 2.076 20 0 DEADHO C[C@H](CNC(=O)c1cccc2c1CCNC2)[N@@H+]1CCC[C@H](C)C1 ZINC000662679951 425710671 /nfs/dbraw/zinc/71/06/71/425710671.db2.gz QGUBTJMROQXNML-LSDHHAIUSA-N 1 3 315.461 2.183 20 0 DEADHO C[C@H](CNC(=O)c1cccc2c1CCNC2)[N@H+]1CCC[C@H](C)C1 ZINC000662679951 425710675 /nfs/dbraw/zinc/71/06/75/425710675.db2.gz QGUBTJMROQXNML-LSDHHAIUSA-N 1 3 315.461 2.183 20 0 DEADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C[C@H]1NCc2ccccc21 ZINC000662694844 425713670 /nfs/dbraw/zinc/71/36/70/425713670.db2.gz UHLPKOBPFCWOGX-MAUKXSAKSA-N 1 3 315.461 2.458 20 0 DEADHO CCCC[C@@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)C(=O)Nc1cc(C)on1 ZINC000656127092 425714105 /nfs/dbraw/zinc/71/41/05/425714105.db2.gz MRZOXNINYLWYLE-QLFBSQMISA-N 1 3 322.453 2.410 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000662694520 425714721 /nfs/dbraw/zinc/71/47/21/425714721.db2.gz RQOGKZRXRMHANG-YESZJQIVSA-N 1 3 309.498 2.249 20 0 DEADHO C[C@@H](NC(=O)C[C@@H]1NCc2ccccc21)C1CC[NH+](C)CC1 ZINC000662703972 425717016 /nfs/dbraw/zinc/71/70/16/425717016.db2.gz QEYZYCCTSBFBSC-DYVFJYSZSA-N 1 3 301.434 2.068 20 0 DEADHO CN1CCC(Nc2ccccc2NC(=O)CC2([NH3+])CC2)CC1 ZINC000662706074 425718814 /nfs/dbraw/zinc/71/88/14/425718814.db2.gz WZSYDCRFPINNCN-UHFFFAOYSA-N 1 3 302.422 2.013 20 0 DEADHO C[C@@H](N[C@@H]1CCN(c2ccc(F)cc2)C1=O)C1CC[NH+](C)CC1 ZINC000666230604 425721868 /nfs/dbraw/zinc/72/18/68/425721868.db2.gz ZGWJSHZLVQTEDP-CXAGYDPISA-N 1 3 319.424 2.251 20 0 DEADHO C[C@@H](NC(=O)c1cccc2c1CCNC2)C(C)(C)C[NH+](C)C ZINC000662744365 425727158 /nfs/dbraw/zinc/72/71/58/425727158.db2.gz CRLLBLAFAUNGED-CYBMUJFWSA-N 1 3 303.450 2.038 20 0 DEADHO CCCN1CC[C@H](NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)C1 ZINC000660338673 425797203 /nfs/dbraw/zinc/79/72/03/425797203.db2.gz CKMOLEWCPBFNQN-JYJNAYRXSA-N 1 3 310.486 2.033 20 0 DEADHO CCCN1CC[C@H](NC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)C1 ZINC000660338673 425797206 /nfs/dbraw/zinc/79/72/06/425797206.db2.gz CKMOLEWCPBFNQN-JYJNAYRXSA-N 1 3 310.486 2.033 20 0 DEADHO N[C@H](CC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000662840159 425746489 /nfs/dbraw/zinc/74/64/89/425746489.db2.gz YNTFXRAKQNHJSE-IKGGRYGDSA-N 1 3 301.434 2.210 20 0 DEADHO N[C@H](CC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000662840159 425746492 /nfs/dbraw/zinc/74/64/92/425746492.db2.gz YNTFXRAKQNHJSE-IKGGRYGDSA-N 1 3 301.434 2.210 20 0 DEADHO C[NH+](C)CCCC1CCN([C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000660158964 425755746 /nfs/dbraw/zinc/75/57/46/425755746.db2.gz QOBAKYSOGDHTFN-FGTMMUONSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N(C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000660195672 425764206 /nfs/dbraw/zinc/76/42/06/425764206.db2.gz AQJYJYTXRIJMQP-QAPCUYQASA-N 1 3 316.449 2.224 20 0 DEADHO C[N@H+](CCCN1CCCC1)C1CCN(Cc2ccncc2)CC1 ZINC000363459372 269063505 /nfs/dbraw/zinc/06/35/05/269063505.db2.gz LCVUDTZMZCUBBY-UHFFFAOYSA-N 1 3 316.493 2.464 20 0 DEADHO C[N@@H+](CCCN1CCCC1)C1CCN(Cc2ccncc2)CC1 ZINC000363459372 269063506 /nfs/dbraw/zinc/06/35/06/269063506.db2.gz LCVUDTZMZCUBBY-UHFFFAOYSA-N 1 3 316.493 2.464 20 0 DEADHO CN(CCC[NH+]1CCCC1)C1CCN(Cc2ccncc2)CC1 ZINC000363459372 269063508 /nfs/dbraw/zinc/06/35/08/269063508.db2.gz LCVUDTZMZCUBBY-UHFFFAOYSA-N 1 3 316.493 2.464 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000398101697 269108294 /nfs/dbraw/zinc/10/82/94/269108294.db2.gz ZLEIDLZBTBBCMV-BPQIPLTHSA-N 1 3 317.477 2.244 20 0 DEADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](N[C@@H]3CCC[NH2+]C3)C[C@@H]2C1 ZINC000401135953 269111833 /nfs/dbraw/zinc/11/18/33/269111833.db2.gz SRILWPCWAWEIDD-XUWVNRHRSA-N 1 3 323.481 2.364 20 0 DEADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000405783923 269113025 /nfs/dbraw/zinc/11/30/25/269113025.db2.gz MYXZTEAKALFEPW-BHYGNILZSA-N 1 3 303.450 2.141 20 0 DEADHO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCCN2CCCC2)C1 ZINC000495565431 269155621 /nfs/dbraw/zinc/15/56/21/269155621.db2.gz MHIYPCVXWSSXHD-CVEARBPZSA-N 1 3 311.470 2.319 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C[C@H]2CN(C)C(=O)O2)CC1 ZINC000495732926 269172929 /nfs/dbraw/zinc/17/29/29/269172929.db2.gz YKLIVBJYVMXCIC-DOTOQJQBSA-N 1 3 323.481 2.414 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C[C@H]2CN(C)C(=O)O2)CC1 ZINC000495732926 269172931 /nfs/dbraw/zinc/17/29/31/269172931.db2.gz YKLIVBJYVMXCIC-DOTOQJQBSA-N 1 3 323.481 2.414 20 0 DEADHO C[C@@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C)NC(=O)OC(C)(C)C ZINC000495813150 269178804 /nfs/dbraw/zinc/17/88/04/269178804.db2.gz FNXVWRHDCOOWFM-RDGKXADDSA-N 1 3 311.470 2.457 20 0 DEADHO C[C@@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C)NC(=O)OC(C)(C)C ZINC000495813150 269178805 /nfs/dbraw/zinc/17/88/05/269178805.db2.gz FNXVWRHDCOOWFM-RDGKXADDSA-N 1 3 311.470 2.457 20 0 DEADHO CCOC(=O)N1CCC(N[C@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000497136466 269290526 /nfs/dbraw/zinc/29/05/26/269290526.db2.gz USTXMBRDANEJMF-WMLDXEAASA-N 1 3 319.449 2.155 20 0 DEADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000514722163 269329043 /nfs/dbraw/zinc/32/90/43/269329043.db2.gz SUBVIEJIQJCSSV-QPUJVOFHSA-N 1 3 301.312 2.101 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000514799696 269332683 /nfs/dbraw/zinc/33/26/83/269332683.db2.gz VHXHAZSQKNPEPZ-DOTOQJQBSA-N 1 3 324.513 2.314 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@H](NC[C@@H](O)COCc2ccccc2F)C1 ZINC000515234305 269347899 /nfs/dbraw/zinc/34/78/99/269347899.db2.gz FKLGBSCFTREDNQ-GVDBMIGSSA-N 1 3 324.440 2.166 20 0 DEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COCc2ccccc2F)C1 ZINC000515234305 269347901 /nfs/dbraw/zinc/34/79/01/269347901.db2.gz FKLGBSCFTREDNQ-GVDBMIGSSA-N 1 3 324.440 2.166 20 0 DEADHO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1)C1=CCN(C)CC1 ZINC000517232099 269380292 /nfs/dbraw/zinc/38/02/92/269380292.db2.gz WAMZNLGCLNLLRD-CZUORRHYSA-N 1 3 324.852 2.320 20 0 DEADHO O=C(CC[NH2+]C[C@H]1CCN(C2CC2)C1)Nc1cccc(F)c1 ZINC000517231089 269380394 /nfs/dbraw/zinc/38/03/94/269380394.db2.gz PYHQCQCFDFRURB-CYBMUJFWSA-N 1 3 305.397 2.228 20 0 DEADHO O=C(CCNC[C@H]1CC[N@@H+](C2CC2)C1)Nc1cccc(F)c1 ZINC000517231089 269380396 /nfs/dbraw/zinc/38/03/96/269380396.db2.gz PYHQCQCFDFRURB-CYBMUJFWSA-N 1 3 305.397 2.228 20 0 DEADHO O=C(CCNC[C@H]1CC[N@H+](C2CC2)C1)Nc1cccc(F)c1 ZINC000517231089 269380397 /nfs/dbraw/zinc/38/03/97/269380397.db2.gz PYHQCQCFDFRURB-CYBMUJFWSA-N 1 3 305.397 2.228 20 0 DEADHO C[C@@H](CCNC(=O)N(C)CCN(C)C)[N@H+](C)Cc1ccccc1 ZINC000176436066 274209785 /nfs/dbraw/zinc/20/97/85/274209785.db2.gz SQBSXJBZUATNFY-INIZCTEOSA-N 1 3 320.481 2.100 20 0 DEADHO C[C@@H](CCNC(=O)N(C)CCN(C)C)[N@@H+](C)Cc1ccccc1 ZINC000176436066 274209788 /nfs/dbraw/zinc/20/97/88/274209788.db2.gz SQBSXJBZUATNFY-INIZCTEOSA-N 1 3 320.481 2.100 20 0 DEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423354971 274357116 /nfs/dbraw/zinc/35/71/16/274357116.db2.gz DKMWHNYGIRCMHT-JFIYKMOQSA-N 1 3 302.466 2.024 20 0 DEADHO C(N1C[C@H]2CCC[C@@H]2C1)C1(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)COC1 ZINC000182227510 275394444 /nfs/dbraw/zinc/39/44/44/275394444.db2.gz BZCPIWCMEAQCEX-TVFCKZIOSA-N 1 3 304.478 2.467 20 0 DEADHO C(N1C[C@H]2CCC[C@@H]2C1)C1(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)COC1 ZINC000182227510 275394445 /nfs/dbraw/zinc/39/44/45/275394445.db2.gz BZCPIWCMEAQCEX-TVFCKZIOSA-N 1 3 304.478 2.467 20 0 DEADHO C(N1C[C@@H]2CCC[C@@H]2C1)C1(C[NH+]2C[C@H]3CCC[C@@H]3C2)COC1 ZINC000182227510 275394446 /nfs/dbraw/zinc/39/44/46/275394446.db2.gz BZCPIWCMEAQCEX-TVFCKZIOSA-N 1 3 304.478 2.467 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000418350026 275748845 /nfs/dbraw/zinc/74/88/45/275748845.db2.gz KTGPUACMEHXUCX-CKEIUWERSA-N 1 3 318.465 2.189 20 0 DEADHO CCN(CC(=O)Nc1c(F)cccc1F)CC1CC[NH2+]CC1 ZINC000237008388 276085904 /nfs/dbraw/zinc/08/59/04/276085904.db2.gz WDXJNZNSBZWZAW-UHFFFAOYSA-N 1 3 311.376 2.225 20 0 DEADHO CCC[NH+]1CCC(CNC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC000074250598 276257093 /nfs/dbraw/zinc/25/70/93/276257093.db2.gz JLOKTBFLIRTKFD-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000068011961 276379525 /nfs/dbraw/zinc/37/95/25/276379525.db2.gz SETCSFCLEGBPGD-SFHVURJKSA-N 1 3 315.461 2.497 20 0 DEADHO CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000068011961 276379528 /nfs/dbraw/zinc/37/95/28/276379528.db2.gz SETCSFCLEGBPGD-SFHVURJKSA-N 1 3 315.461 2.497 20 0 DEADHO CN1CCN(CC[NH2+][C@@H]2CCc3c2cccc3F)CC1(C)C ZINC000282355155 277106677 /nfs/dbraw/zinc/10/66/77/277106677.db2.gz PMDUUNOJURXCQC-QGZVFWFLSA-N 1 3 305.441 2.429 20 0 DEADHO CC(C)[C@H](CO)CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423105398 277899239 /nfs/dbraw/zinc/89/92/39/277899239.db2.gz ILOMRVLJNYADDH-LESCRADOSA-N 1 3 304.434 2.096 20 0 DEADHO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000353526746 277976310 /nfs/dbraw/zinc/97/63/10/277976310.db2.gz SBQPAFFSKMJESU-HZPDHXFCSA-N 1 3 309.498 2.201 20 0 DEADHO CC1(C)CN(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CCN1 ZINC000418138655 278303180 /nfs/dbraw/zinc/30/31/80/278303180.db2.gz GRDHOMADSIFPES-MRXNPFEDSA-N 1 3 322.497 2.177 20 0 DEADHO CC1(C)CN(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CCN1 ZINC000418138655 278303184 /nfs/dbraw/zinc/30/31/84/278303184.db2.gz GRDHOMADSIFPES-MRXNPFEDSA-N 1 3 322.497 2.177 20 0 DEADHO CC(C)(C)N1CCC([NH2+]CCCCCS(C)(=O)=O)CC1 ZINC000186871510 278341136 /nfs/dbraw/zinc/34/11/36/278341136.db2.gz DDRQTLHJRGFMMM-UHFFFAOYSA-N 1 3 304.500 2.054 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000361275566 278381475 /nfs/dbraw/zinc/38/14/75/278381475.db2.gz XPDMJSIKFYHGRM-GJZGRUSLSA-N 1 3 307.482 2.382 20 0 DEADHO C[C@@H]1CCCN(C(=O)Nc2ccccc2CCN(C)C)[C@H]1C[NH3+] ZINC000415567505 278476191 /nfs/dbraw/zinc/47/61/91/278476191.db2.gz JWMSDNKCHJSYMN-PBHICJAKSA-N 1 3 318.465 2.382 20 0 DEADHO C[C@@H]1OCC[C@@]1(O)CNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000378224404 279046811 /nfs/dbraw/zinc/04/68/11/279046811.db2.gz IMUXKIYMBODLBE-MXSMSXNCSA-N 1 3 310.482 2.159 20 0 DEADHO CCN(CCNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)C1CC1 ZINC000105225029 279194612 /nfs/dbraw/zinc/19/46/12/279194612.db2.gz MAKUNCKLKJSLAC-QGZVFWFLSA-N 1 3 322.497 2.131 20 0 DEADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@H](C)C[NH3+])N(C)C)cc1 ZINC000418197079 279244305 /nfs/dbraw/zinc/24/43/05/279244305.db2.gz SMTQYSXHURSCGK-PBHICJAKSA-N 1 3 320.481 2.134 20 0 DEADHO C[C@H](CCCC[NH3+])N[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000423161117 279254887 /nfs/dbraw/zinc/25/48/87/279254887.db2.gz NITOUEFAOGUWNP-KFWWJZLASA-N 1 3 303.450 2.460 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CC(C)(C)[C@H]3CCC[C@@H]32)CC1 ZINC000339718764 279259294 /nfs/dbraw/zinc/25/92/94/279259294.db2.gz LQRBXHZEZAHKFT-HOTGVXAUSA-N 1 3 307.482 2.097 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC000339738310 279259435 /nfs/dbraw/zinc/25/94/35/279259435.db2.gz CTHSDYOMRWQWQY-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000344869838 279271134 /nfs/dbraw/zinc/27/11/34/279271134.db2.gz DERXANAIPURONS-ZACQAIPSSA-N 1 3 322.497 2.129 20 0 DEADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433918222 279272095 /nfs/dbraw/zinc/27/20/95/279272095.db2.gz HQARXOQIKJEHML-SJORKVTESA-N 1 3 322.497 2.177 20 0 DEADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433918222 279272096 /nfs/dbraw/zinc/27/20/96/279272096.db2.gz HQARXOQIKJEHML-SJORKVTESA-N 1 3 322.497 2.177 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000354654282 279277954 /nfs/dbraw/zinc/27/79/54/279277954.db2.gz GPVNDIXWHASMJY-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC000362774270 279282345 /nfs/dbraw/zinc/28/23/45/279282345.db2.gz OZLHPTGKWCSAHU-INIZCTEOSA-N 1 3 303.450 2.352 20 0 DEADHO CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC000362774270 279282349 /nfs/dbraw/zinc/28/23/49/279282349.db2.gz OZLHPTGKWCSAHU-INIZCTEOSA-N 1 3 303.450 2.352 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H](C)[C@@H](OC)c2ccccc2)CC1 ZINC000279744115 279356985 /nfs/dbraw/zinc/35/69/85/279356985.db2.gz PGKQTVWEPHFXFJ-PKOBYXMFSA-N 1 3 319.493 2.380 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]C[C@](C)(O)C2CC2)CC1 ZINC000344451691 279375674 /nfs/dbraw/zinc/37/56/74/279375674.db2.gz SBIWRKGFNMRXTL-IBGZPJMESA-N 1 3 317.477 2.079 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH+](C)C)CC1)N1CCCCC1 ZINC000365310582 279764050 /nfs/dbraw/zinc/76/40/50/279764050.db2.gz RWOPAUYAFVODJN-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CCN2CCCCC2)C[C@H](C)O1 ZINC000246164060 288203923 /nfs/dbraw/zinc/20/39/23/288203923.db2.gz OIQXTEKMCDXGIM-FGTMMUONSA-N 1 3 309.498 2.046 20 0 DEADHO C[C@@H]1CN(C[C@H]2CCC[N@H+]2CCN2CCCCC2)C[C@H](C)O1 ZINC000246164060 288203925 /nfs/dbraw/zinc/20/39/25/288203925.db2.gz OIQXTEKMCDXGIM-FGTMMUONSA-N 1 3 309.498 2.046 20 0 DEADHO CC(C)[C@H](C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)N(C)C ZINC000359241677 280169217 /nfs/dbraw/zinc/16/92/17/280169217.db2.gz HHIJBECWAFEUFR-OWCLPIDISA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)[C@H](C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)N(C)C ZINC000359241677 280169219 /nfs/dbraw/zinc/16/92/19/280169219.db2.gz HHIJBECWAFEUFR-OWCLPIDISA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)[C@H](C[NH2+][C@@H](C1CC1)[C@H]1CNCCO1)N1CCCCCC1 ZINC000422969191 280254414 /nfs/dbraw/zinc/25/44/14/280254414.db2.gz ZAWACCOZNZQONP-OTWHNJEPSA-N 1 3 323.525 2.244 20 0 DEADHO CC(C)[C@H](CN[C@@H](C1CC1)[C@H]1CNCCO1)[NH+]1CCCCCC1 ZINC000422969191 280254418 /nfs/dbraw/zinc/25/44/18/280254418.db2.gz ZAWACCOZNZQONP-OTWHNJEPSA-N 1 3 323.525 2.244 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000418695996 280877102 /nfs/dbraw/zinc/87/71/02/280877102.db2.gz KEMFVKUMFPQHIN-INIZCTEOSA-N 1 3 318.465 2.030 20 0 DEADHO Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423482061 280927102 /nfs/dbraw/zinc/92/71/02/280927102.db2.gz XOYMDDCPOWPOHY-JYJNAYRXSA-N 1 3 324.490 2.264 20 0 DEADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)N(C)C)cc1 ZINC000417301703 280986245 /nfs/dbraw/zinc/98/62/45/280986245.db2.gz BVAWSWYEUGEUIB-XIRDDKMYSA-N 1 3 318.465 2.037 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)N(C)C)cc1 ZINC000290373133 281413163 /nfs/dbraw/zinc/41/31/63/281413163.db2.gz RLBFYMHIYOLQCC-ZTFGCOKTSA-N 1 3 317.477 2.356 20 0 DEADHO CN(C(=O)CC(C)(C)[NH3+])C1CCN(Cc2ccccc2)CC1 ZINC000178767398 281716146 /nfs/dbraw/zinc/71/61/46/281716146.db2.gz MXONGAVEUMZBPU-UHFFFAOYSA-N 1 3 303.450 2.237 20 0 DEADHO CC(C)N(C)C(=O)CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121799834 281762292 /nfs/dbraw/zinc/76/22/92/281762292.db2.gz UOVKWZHONZYZPA-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CN1C[C@@H]2CCCN(C(=O)C[C@@H](c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC000425065945 289275041 /nfs/dbraw/zinc/27/50/41/289275041.db2.gz MSJLLOLGZACSIZ-OKZBNKHCSA-N 1 3 315.461 2.232 20 0 DEADHO C[C@H](C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)N1CCCCCC1 ZINC000372768910 289280028 /nfs/dbraw/zinc/28/00/28/289280028.db2.gz MVELUWAXEYDHKX-IKGGRYGDSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H](C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)N1CCCCCC1 ZINC000372768910 289280032 /nfs/dbraw/zinc/28/00/32/289280032.db2.gz MVELUWAXEYDHKX-IKGGRYGDSA-N 1 3 307.482 2.194 20 0 DEADHO C[N@@H+]1CC[C@H](N[C@@H]2CNCCC2(F)F)C[C@H]1c1ccccc1 ZINC000423477766 290224777 /nfs/dbraw/zinc/22/47/77/290224777.db2.gz KJKBWDMTEGGPDQ-HRCADAONSA-N 1 3 309.404 2.409 20 0 DEADHO C[N@H+]1CC[C@H](N[C@@H]2CNCCC2(F)F)C[C@H]1c1ccccc1 ZINC000423477766 290224779 /nfs/dbraw/zinc/22/47/79/290224779.db2.gz KJKBWDMTEGGPDQ-HRCADAONSA-N 1 3 309.404 2.409 20 0 DEADHO N[C@@H](CC1CCCCC1)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000423439259 295293821 /nfs/dbraw/zinc/29/38/21/295293821.db2.gz HVIBJMTZDUPKNA-IRXDYDNUSA-N 1 3 307.482 2.275 20 0 DEADHO O=C(C[C@@H]1CCC[NH2+]1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000194017949 295533956 /nfs/dbraw/zinc/53/39/56/295533956.db2.gz UFKICZOCUFFUDX-IRXDYDNUSA-N 1 3 301.434 2.082 20 0 DEADHO C[C@H](C(=O)NCC1(C[NH+](C)C)CCCC1)N1[C@H](C)CC[C@@H]1C ZINC000248731541 298149171 /nfs/dbraw/zinc/14/91/71/298149171.db2.gz MXKGRNJMFFPTGL-OWCLPIDISA-N 1 3 309.498 2.486 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@@]2(C)CCC[NH2+]C2)N(C)C)cc1 ZINC000237197901 301715894 /nfs/dbraw/zinc/71/58/94/301715894.db2.gz KMXDOKQGXXYRHH-AEFFLSMTSA-N 1 3 303.450 2.104 20 0 DEADHO Cc1ccccc1C[C@H](CO)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423060642 302102414 /nfs/dbraw/zinc/10/24/14/302102414.db2.gz OUHAOCKIAHFRNY-CRAIPNDOSA-N 1 3 313.445 2.411 20 0 DEADHO Cc1nn(C)cc1[C@@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000178037051 302797792 /nfs/dbraw/zinc/79/77/92/302797792.db2.gz WZIJAPZKNHHCMU-RBSFLKMASA-N 1 3 308.470 2.269 20 0 DEADHO O=C(NCC1([NH+]2CCCCC2)CCCCC1)N1CCCNCC1 ZINC000416811924 303755979 /nfs/dbraw/zinc/75/59/79/303755979.db2.gz DCPYQSOGEQCPMI-UHFFFAOYSA-N 1 3 322.497 2.180 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C[C@H](N)Cc2ccccc2)C1 ZINC000574449831 326155594 /nfs/dbraw/zinc/15/55/94/326155594.db2.gz CIQBAQRDHJAELB-QZTJIDSGSA-N 1 3 317.477 2.137 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@H](N)Cc2ccccc2)C1 ZINC000574449831 326155597 /nfs/dbraw/zinc/15/55/97/326155597.db2.gz CIQBAQRDHJAELB-QZTJIDSGSA-N 1 3 317.477 2.137 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000576105219 326269299 /nfs/dbraw/zinc/26/92/99/326269299.db2.gz PQUIMZKHLMINHD-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC[C@H](C[NH3+])C1)c1ccco1 ZINC000576331158 326285914 /nfs/dbraw/zinc/28/59/14/326285914.db2.gz QHCTXLVIPKPHHV-RRFJBIMHSA-N 1 3 322.453 2.089 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCC[NH2+]C1CCCCCC1 ZINC000576807983 326320392 /nfs/dbraw/zinc/32/03/92/326320392.db2.gz XLZNWKGYGRXGFN-PBHICJAKSA-N 1 3 322.497 2.081 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC2CCCC2)C(C)(C)C1 ZINC001369441309 1148989700 /nfs/dbraw/zinc/98/97/00/1148989700.db2.gz HFUJAOXTUFLQPI-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](C(=O)N(C)CC1CC[NH+](C)CC1)[C@@H](N)c1ccccc1 ZINC000388040556 333197635 /nfs/dbraw/zinc/19/76/35/333197635.db2.gz MUKGVVCQNOXGCE-WMLDXEAASA-N 1 3 303.450 2.123 20 0 DEADHO Fc1ccc(-n2cc(CNCC[C@@H]3CC[NH2+]C3)nn2)cc1Cl ZINC000582533949 337106086 /nfs/dbraw/zinc/10/60/86/337106086.db2.gz RRMQWTOWUQSYLN-NSHDSACASA-N 1 3 323.803 2.149 20 0 DEADHO O=C(NCCN1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000582863146 337208882 /nfs/dbraw/zinc/20/88/82/337208882.db2.gz SOGYEOLWADCGBQ-SFHVURJKSA-N 1 3 315.461 2.111 20 0 DEADHO O=C(NCCN1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000582863146 337208883 /nfs/dbraw/zinc/20/88/83/337208883.db2.gz SOGYEOLWADCGBQ-SFHVURJKSA-N 1 3 315.461 2.111 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCCC[NH2+]2)CN1Cc1ccccc1 ZINC000398009918 337303885 /nfs/dbraw/zinc/30/38/85/337303885.db2.gz CFUHHTORTUNKIK-KBAYOESNSA-N 1 3 315.461 2.298 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCCCC[NH2+]2)CN1Cc1ccccc1 ZINC000398009917 337303898 /nfs/dbraw/zinc/30/38/98/337303898.db2.gz CFUHHTORTUNKIK-BPQIPLTHSA-N 1 3 315.461 2.298 20 0 DEADHO Cc1cnc(CCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000584523846 337355325 /nfs/dbraw/zinc/35/53/25/337355325.db2.gz AWOKTRLZAWNSLP-MJGOQNOKSA-N 1 3 324.428 2.173 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000584528272 337356306 /nfs/dbraw/zinc/35/63/06/337356306.db2.gz KVWWYYFEMHJUKY-YESZJQIVSA-N 1 3 307.482 2.097 20 0 DEADHO CC1=CCC[C@@H](C)[C@@H]1C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000191058907 337398778 /nfs/dbraw/zinc/39/87/78/337398778.db2.gz RBZTVMLOVFOBNB-SJLPKXTDSA-N 1 3 321.509 2.369 20 0 DEADHO CC[N@H+](C)CCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001378196754 1152210391 /nfs/dbraw/zinc/21/03/91/1152210391.db2.gz JAWQBGHPQYWCIG-KRWDZBQOSA-N 1 3 303.450 2.061 20 0 DEADHO CC[N@@H+](C)CCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001378196754 1152210393 /nfs/dbraw/zinc/21/03/93/1152210393.db2.gz JAWQBGHPQYWCIG-KRWDZBQOSA-N 1 3 303.450 2.061 20 0 DEADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1csc(C)c1)N(C)C ZINC001377109951 1159908718 /nfs/dbraw/zinc/90/87/18/1159908718.db2.gz YUUCGUJERSDOJY-SWLSCSKDSA-N 1 3 311.495 2.381 20 0 DEADHO CCCC[NH+]1CCC(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001378485418 1152347101 /nfs/dbraw/zinc/34/71/01/1152347101.db2.gz WENGDLTUPPXSAN-UHFFFAOYSA-N 1 3 306.454 2.279 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001398353567 1160863507 /nfs/dbraw/zinc/86/35/07/1160863507.db2.gz ABOJRYYUHATIJW-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)CC[NH+]1CCC2(C[C@H]2NC(=O)CN(C)C(C)C)CC1 ZINC001398369829 1160867219 /nfs/dbraw/zinc/86/72/19/1160867219.db2.gz ZAJYAFXIGWCTDJ-MRXNPFEDSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](C)Cc1cc(C)cc(C)c1)N(C)C ZINC001399640890 1161495503 /nfs/dbraw/zinc/49/55/03/1161495503.db2.gz MPGPSJQHKOAZMV-QGZVFWFLSA-N 1 3 305.466 2.192 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](C)Cc1cc(C)cc(C)c1)N(C)C ZINC001399640890 1161495506 /nfs/dbraw/zinc/49/55/06/1161495506.db2.gz MPGPSJQHKOAZMV-QGZVFWFLSA-N 1 3 305.466 2.192 20 0 DEADHO CC(C)(C(=O)NCC1C[NH+](CCC2CC2)C1)N1CCCCC1 ZINC001400484520 1161752599 /nfs/dbraw/zinc/75/25/99/1161752599.db2.gz IVFOIJONRCXAMI-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H]1CN(c2ccccc2CNCC2=CC[N@H+](C)CC2)CCO1 ZINC000297363276 533981045 /nfs/dbraw/zinc/98/10/45/533981045.db2.gz FZEJFLUAVXSJRM-INIZCTEOSA-N 1 3 315.461 2.263 20 0 DEADHO C[C@H]1CN(c2ccccc2CNCC2=CC[N@@H+](C)CC2)CCO1 ZINC000297363276 533981050 /nfs/dbraw/zinc/98/10/50/533981050.db2.gz FZEJFLUAVXSJRM-INIZCTEOSA-N 1 3 315.461 2.263 20 0 DEADHO COc1ccccc1C1(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])CCC1 ZINC000423029896 534000316 /nfs/dbraw/zinc/00/03/16/534000316.db2.gz ARRGWXPIVHLMRX-BFYDXBDKSA-N 1 3 318.461 2.459 20 0 DEADHO COc1ccccc1C1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)N)CCC1 ZINC000423029896 534000327 /nfs/dbraw/zinc/00/03/27/534000327.db2.gz ARRGWXPIVHLMRX-BFYDXBDKSA-N 1 3 318.461 2.459 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]C[C@H]1CCC(F)(F)C1)N(C)C ZINC001401688067 1162076106 /nfs/dbraw/zinc/07/61/06/1162076106.db2.gz OGCVFDLSUTUQMB-IHRRRGAJSA-N 1 3 319.440 2.102 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H](C)C[NH3+])N2CCCC2)cc1 ZINC000417350734 534219761 /nfs/dbraw/zinc/21/97/61/534219761.db2.gz BBSMUWRKQREHDI-DOTOQJQBSA-N 1 3 318.465 2.026 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C)cc2)C1)N(C)C ZINC001378853671 1152468197 /nfs/dbraw/zinc/46/81/97/1152468197.db2.gz RFEANOSHXMOGRF-BZSNNMDCSA-N 1 3 317.477 2.320 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)N[C@H](CCC[NH3+])c2ccccc2)CCCN1C ZINC000417995893 534242646 /nfs/dbraw/zinc/24/26/46/534242646.db2.gz DOGZOCKLXRNSEJ-HYVNUMGLSA-N 1 3 318.465 2.249 20 0 DEADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(F)cc1 ZINC001378856465 1152469579 /nfs/dbraw/zinc/46/95/79/1152469579.db2.gz ISJOLJISQAGOPI-CQSZACIVSA-N 1 3 309.429 2.102 20 0 DEADHO C[C@H](C[N@H+](C)CC1CC(C)C1)NC(=O)CN(C)CC(C)(C)C ZINC001401783674 1162128471 /nfs/dbraw/zinc/12/84/71/1162128471.db2.gz WCXOUWKPCNMNLL-HWOWSKLDSA-N 1 3 311.514 2.447 20 0 DEADHO C[C@H](C[N@@H+](C)CC1CC(C)C1)NC(=O)CN(C)CC(C)(C)C ZINC001401783674 1162128476 /nfs/dbraw/zinc/12/84/76/1162128476.db2.gz WCXOUWKPCNMNLL-HWOWSKLDSA-N 1 3 311.514 2.447 20 0 DEADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000422770818 534389773 /nfs/dbraw/zinc/38/97/73/534389773.db2.gz WSNRTOVJLFMNAE-INDMIFKZSA-N 1 3 302.462 2.348 20 0 DEADHO CC(C)[N@H+](C)CCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000338423180 519619530 /nfs/dbraw/zinc/61/95/30/519619530.db2.gz UVBRJJMRGJGMGP-UHFFFAOYSA-N 1 3 317.477 2.355 20 0 DEADHO CC(C)[N@@H+](C)CCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000338423180 519619534 /nfs/dbraw/zinc/61/95/34/519619534.db2.gz UVBRJJMRGJGMGP-UHFFFAOYSA-N 1 3 317.477 2.355 20 0 DEADHO CCN1CCC(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000338285025 521574168 /nfs/dbraw/zinc/57/41/68/521574168.db2.gz LADXRTQAOHFIDQ-OAHLLOKOSA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCC(NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000338285025 521574173 /nfs/dbraw/zinc/57/41/73/521574173.db2.gz LADXRTQAOHFIDQ-OAHLLOKOSA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000111494732 521593990 /nfs/dbraw/zinc/59/39/90/521593990.db2.gz YKZWUSRCLJIMCN-MRXNPFEDSA-N 1 3 310.486 2.034 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NCC[N@H+](C)C1CCCC1 ZINC000111494732 521593988 /nfs/dbraw/zinc/59/39/88/521593988.db2.gz YKZWUSRCLJIMCN-MRXNPFEDSA-N 1 3 310.486 2.034 20 0 DEADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000105198339 521642009 /nfs/dbraw/zinc/64/20/09/521642009.db2.gz NULWEWXMUMBMFM-IAGOWNOFSA-N 1 3 324.513 2.138 20 0 DEADHO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000105198339 521642012 /nfs/dbraw/zinc/64/20/12/521642012.db2.gz NULWEWXMUMBMFM-IAGOWNOFSA-N 1 3 324.513 2.138 20 0 DEADHO Clc1ccc(Cl)c(CNCCCN2CC[NH2+]CC2)c1 ZINC000414775923 534640326 /nfs/dbraw/zinc/64/03/26/534640326.db2.gz DSPIAWNHKOBLGM-UHFFFAOYSA-N 1 3 302.249 2.378 20 0 DEADHO CN(CCC1OCCO1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000124492572 522719404 /nfs/dbraw/zinc/71/94/04/522719404.db2.gz BBDSJLNMIGDRKY-KRWDZBQOSA-N 1 3 304.434 2.203 20 0 DEADHO CN(CCC1OCCO1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000124492572 522719410 /nfs/dbraw/zinc/71/94/10/522719410.db2.gz BBDSJLNMIGDRKY-KRWDZBQOSA-N 1 3 304.434 2.203 20 0 DEADHO CN1CCC(O)(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000337342455 523781446 /nfs/dbraw/zinc/78/14/46/523781446.db2.gz RIURLTGUWNODDA-NVXWUHKLSA-N 1 3 303.450 2.154 20 0 DEADHO CN1CCC(O)(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000337342456 523781529 /nfs/dbraw/zinc/78/15/29/523781529.db2.gz RIURLTGUWNODDA-RDJZCZTQSA-N 1 3 303.450 2.154 20 0 DEADHO CC(C)c1nccc(N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC000377663808 534905427 /nfs/dbraw/zinc/90/54/27/534905427.db2.gz AYAFBZCQJSNDCN-INIZCTEOSA-N 1 3 317.481 2.205 20 0 DEADHO CC(=O)Nc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)N)cn1 ZINC000423088292 526985622 /nfs/dbraw/zinc/98/56/22/526985622.db2.gz PTTPUAUIYXSCKL-GUYCJALGSA-N 1 3 312.417 2.088 20 0 DEADHO O=C(C[C@H]1CCC[NH2+]1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000246501624 527165536 /nfs/dbraw/zinc/16/55/36/527165536.db2.gz PXAGZKLTDPLNOD-HUUCEWRRSA-N 1 3 321.490 2.218 20 0 DEADHO C(CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)COC1CCCCC1 ZINC000422780979 527485374 /nfs/dbraw/zinc/48/53/74/527485374.db2.gz IDIDYUOVHYSSJL-RCCFBDPRSA-N 1 3 310.482 2.473 20 0 DEADHO CCCN(C(=O)NCC[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418296765 527750644 /nfs/dbraw/zinc/75/06/44/527750644.db2.gz JTXAVQWDQKPBBE-QGZVFWFLSA-N 1 3 318.465 2.031 20 0 DEADHO CC1(CNC(=O)N2CCC[C@@H]2CN2CCCCC2)CC[NH2+]CC1 ZINC000418520253 527949606 /nfs/dbraw/zinc/94/96/06/527949606.db2.gz PLKRNHPQKBWHOQ-MRXNPFEDSA-N 1 3 322.497 2.036 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@@H](N)c1ccccc1 ZINC000418209186 527984903 /nfs/dbraw/zinc/98/49/03/527984903.db2.gz WJYJAXHGLQZQRT-GDBMZVCRSA-N 1 3 306.454 2.106 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@@H](N)c1ccccc1 ZINC000418209186 527984907 /nfs/dbraw/zinc/98/49/07/527984907.db2.gz WJYJAXHGLQZQRT-GDBMZVCRSA-N 1 3 306.454 2.106 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)NCCC[NH2+]C1CC1 ZINC000418299706 528080601 /nfs/dbraw/zinc/08/06/01/528080601.db2.gz LQKAXHCMIWYRIY-UHFFFAOYSA-N 1 3 310.486 2.036 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418346144 528083361 /nfs/dbraw/zinc/08/33/61/528083361.db2.gz POFIKQMZLBRTDR-IAGOWNOFSA-N 1 3 324.513 2.282 20 0 DEADHO CC1CCC(N2CCN(C(=O)N[C@H]3CC[NH2+][C@@H](C)C3)CC2)CC1 ZINC000418596726 528194927 /nfs/dbraw/zinc/19/49/27/528194927.db2.gz HFSMBKZKOFAEOR-YZUHTNEWSA-N 1 3 322.497 2.033 20 0 DEADHO CCN(CCNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000417434278 528486804 /nfs/dbraw/zinc/48/68/04/528486804.db2.gz XALXLPLFTJABPX-NVXWUHKLSA-N 1 3 322.497 2.034 20 0 DEADHO CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000418188389 528513523 /nfs/dbraw/zinc/51/35/23/528513523.db2.gz UGAJQMBVYMVZCC-UAGQMJEPSA-N 1 3 320.481 2.350 20 0 DEADHO CCOc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443057033 528544854 /nfs/dbraw/zinc/54/48/54/528544854.db2.gz FCDTYKHFGZMCTP-GJZGRUSLSA-N 1 3 319.449 2.473 20 0 DEADHO CCCC[C@@H](C[NH3+])NC(=O)N(CCC)CCN1CCCCC1 ZINC000418466679 528803203 /nfs/dbraw/zinc/80/32/03/528803203.db2.gz NZLZMGYRMKHRAK-INIZCTEOSA-N 1 3 312.502 2.411 20 0 DEADHO CCC(CC)[C@H](C[NH2+][C@@H](C)C[C@@H]1COCCN1)N1CCCC1 ZINC000422820979 528856120 /nfs/dbraw/zinc/85/61/20/528856120.db2.gz TXTAQYBPKIXYOB-JQHSSLGASA-N 1 3 311.514 2.244 20 0 DEADHO CCC(CC)[C@H](CN[C@@H](C)C[C@@H]1COCCN1)[NH+]1CCCC1 ZINC000422820979 528856124 /nfs/dbraw/zinc/85/61/24/528856124.db2.gz TXTAQYBPKIXYOB-JQHSSLGASA-N 1 3 311.514 2.244 20 0 DEADHO CCC(CC)[C@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)N1CCOCC1 ZINC000422815045 528857127 /nfs/dbraw/zinc/85/71/27/528857127.db2.gz APKGCYGGLHVOOY-SZMVWBNQSA-N 1 3 311.514 2.101 20 0 DEADHO CCC(CC)[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)N1CCOCC1 ZINC000422816059 528857232 /nfs/dbraw/zinc/85/72/32/528857232.db2.gz DDFMEQNRUPNRFD-BZSNNMDCSA-N 1 3 311.514 2.231 20 0 DEADHO CCC(CC)[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])N1CCOCC1 ZINC000422816059 528857236 /nfs/dbraw/zinc/85/72/36/528857236.db2.gz DDFMEQNRUPNRFD-BZSNNMDCSA-N 1 3 311.514 2.231 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)N1CCCCC1 ZINC000356256211 535131955 /nfs/dbraw/zinc/13/19/55/535131955.db2.gz RYIQVEWRVXFZKU-HKUYNNGSSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)N1CCCCC1 ZINC000356256211 535131959 /nfs/dbraw/zinc/13/19/59/535131959.db2.gz RYIQVEWRVXFZKU-HKUYNNGSSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)COc1cccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000262158116 535239730 /nfs/dbraw/zinc/23/97/30/535239730.db2.gz SDWYRNHWMTVDGX-SFHVURJKSA-N 1 3 317.477 2.201 20 0 DEADHO CCN1CCC[C@H](NC(=O)N[C@H](C)C[NH+]2CCCCCC2)C1 ZINC000249417822 535575816 /nfs/dbraw/zinc/57/58/16/535575816.db2.gz GVVGSSJIINSEEJ-CVEARBPZSA-N 1 3 310.486 2.034 20 0 DEADHO CCN(C(=O)CN1CCC([C@H]2CC[NH2+]C2)CC1)C1CCCCC1 ZINC000357066044 535662190 /nfs/dbraw/zinc/66/21/90/535662190.db2.gz BLZBYVPALPSTFT-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2)c1ccsc1 ZINC000372440175 535674787 /nfs/dbraw/zinc/67/47/87/535674787.db2.gz WWWPCZUDKVLFSP-UXLLHSPISA-N 1 3 321.490 2.247 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H](C)C1C[NH2+]C1)c1ccsc1 ZINC000262301196 535676917 /nfs/dbraw/zinc/67/69/17/535676917.db2.gz BMROUYVHCXUXGW-IUODEOHRSA-N 1 3 309.479 2.103 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000449205827 536023435 /nfs/dbraw/zinc/02/34/35/536023435.db2.gz OEXHUABZZRNELH-QZTJIDSGSA-N 1 3 315.461 2.210 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248197893 536023935 /nfs/dbraw/zinc/02/39/35/536023935.db2.gz XQXQQOTZIJSEPG-ZWKOTPCHSA-N 1 3 315.461 2.305 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000248197893 536023938 /nfs/dbraw/zinc/02/39/38/536023938.db2.gz XQXQQOTZIJSEPG-ZWKOTPCHSA-N 1 3 315.461 2.305 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000362758707 536040890 /nfs/dbraw/zinc/04/08/90/536040890.db2.gz WZIJCCQVKURTLM-UHFFFAOYSA-N 1 3 303.450 2.162 20 0 DEADHO CN1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000253356496 536374041 /nfs/dbraw/zinc/37/40/41/536374041.db2.gz RMILIKDLGRYCSL-ZWKOTPCHSA-N 1 3 315.461 2.109 20 0 DEADHO CN1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000253356496 536374043 /nfs/dbraw/zinc/37/40/43/536374043.db2.gz RMILIKDLGRYCSL-ZWKOTPCHSA-N 1 3 315.461 2.109 20 0 DEADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000449118241 536407044 /nfs/dbraw/zinc/40/70/44/536407044.db2.gz XDYXQMHRMDIGKT-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000449528343 536408257 /nfs/dbraw/zinc/40/82/57/536408257.db2.gz OUFGAIZWSMSXDX-CVEARBPZSA-N 1 3 303.450 2.014 20 0 DEADHO COCCN1CCC(N(CCC[NH3+])c2ccccc2F)CC1 ZINC000360187071 536857649 /nfs/dbraw/zinc/85/76/49/536857649.db2.gz DVLBPRMYUSCRFE-UHFFFAOYSA-N 1 3 309.429 2.092 20 0 DEADHO C[C@@H](CCNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccccn1 ZINC001368737823 1148628580 /nfs/dbraw/zinc/62/85/80/1148628580.db2.gz SYMOBWQIRYJXME-HNNXBMFYSA-N 1 3 320.481 2.044 20 0 DEADHO C[C@@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]CCc1ccccc1 ZINC001379224379 1152593109 /nfs/dbraw/zinc/59/31/09/1152593109.db2.gz RQGXDSCLDWTSHG-SJORKVTESA-N 1 3 317.477 2.007 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)NC(=O)CN2CC[C@@H](C)C2)c(C)c1 ZINC001379550403 1152640752 /nfs/dbraw/zinc/64/07/52/1152640752.db2.gz IQYAQTCYDGYISW-WBVHZDCISA-N 1 3 317.477 2.240 20 0 DEADHO C[C@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000736197350 599314064 /nfs/dbraw/zinc/31/40/64/599314064.db2.gz NATVPSHIVVDPOU-CYBMUJFWSA-N 1 3 314.437 2.201 20 0 DEADHO C[C@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000736197350 599314066 /nfs/dbraw/zinc/31/40/66/599314066.db2.gz NATVPSHIVVDPOU-CYBMUJFWSA-N 1 3 314.437 2.201 20 0 DEADHO Cc1cc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CN(C)C(C)C)C2)cs1 ZINC001379593003 1152648349 /nfs/dbraw/zinc/64/83/49/1152648349.db2.gz XGWNKRNPQYBHTQ-BBRMVZONSA-N 1 3 323.506 2.476 20 0 DEADHO CC[C@H](F)CN1CC[C@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001368825060 1148692913 /nfs/dbraw/zinc/69/29/13/1148692913.db2.gz HNWXQYHTWBAQTB-GJZGRUSLSA-N 1 3 315.477 2.293 20 0 DEADHO CCC(CC)C[NH2+]CC1CC(NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001368817896 1148687092 /nfs/dbraw/zinc/68/70/92/1148687092.db2.gz GPLMUDTYAHVDQX-ODIFPOPNSA-N 1 3 309.498 2.249 20 0 DEADHO CN(CC(=O)NCC1([NH2+]CCC(F)(F)F)CCC1)C1CCC1 ZINC001380863086 1152868569 /nfs/dbraw/zinc/86/85/69/1152868569.db2.gz TVFMAATWCGIQPP-UHFFFAOYSA-N 1 3 321.387 2.052 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(C(C)(C)CC)CC2)C1 ZINC001363468935 1153422777 /nfs/dbraw/zinc/42/27/77/1153422777.db2.gz MDOQWTILXQXXBY-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCN(C(C)(C)CC)CC2)C1 ZINC001363468935 1153422783 /nfs/dbraw/zinc/42/27/83/1153422783.db2.gz MDOQWTILXQXXBY-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000892731135 625501623 /nfs/dbraw/zinc/50/16/23/625501623.db2.gz ARUCPTKPSVYMER-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)cs1 ZINC001020586271 622926171 /nfs/dbraw/zinc/92/61/71/622926171.db2.gz JQWRYTOYXANAFQ-DAXOMENPSA-N 1 3 321.490 2.278 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001020588900 622926935 /nfs/dbraw/zinc/92/69/35/622926935.db2.gz PUWBWHCOGDOWFO-SZMVWBNQSA-N 1 3 315.461 2.074 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 ZINC001020981911 623235481 /nfs/dbraw/zinc/23/54/81/623235481.db2.gz SCRQKGRVJQXSLA-SHTZXODSSA-N 1 3 304.438 2.078 20 0 DEADHO CN(C)Cc1cccc(C(=O)N(C)CC(C)(C)C[NH+](C)C)c1 ZINC000890883170 623317942 /nfs/dbraw/zinc/31/79/42/623317942.db2.gz LHWYQJOGDSVKDA-UHFFFAOYSA-N 1 3 305.466 2.408 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1 ZINC001021091876 623336318 /nfs/dbraw/zinc/33/63/18/623336318.db2.gz YUKYATLOWQZPDU-JOCBIADPSA-N 1 3 315.461 2.296 20 0 DEADHO C[C@H]1C[C@H](NCCN(C(=O)OC(C)(C)C)C2CC2)CC[N@@H+]1C ZINC000160912453 624152927 /nfs/dbraw/zinc/15/29/27/624152927.db2.gz LNKKHWLLJCAXIU-UONOGXRCSA-N 1 3 311.470 2.458 20 0 DEADHO C[C@H]1C[C@H](NCCN(C(=O)OC(C)(C)C)C2CC2)CC[N@H+]1C ZINC000160912453 624152931 /nfs/dbraw/zinc/15/29/31/624152931.db2.gz LNKKHWLLJCAXIU-UONOGXRCSA-N 1 3 311.470 2.458 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001026734081 625703076 /nfs/dbraw/zinc/70/30/76/625703076.db2.gz KXYKBESSHOLYHH-SJORKVTESA-N 1 3 305.466 2.019 20 0 DEADHO CN(CC(=O)N1CC[C@H]([N@H+](C)CC2CC(C)(C)C2)C1)C1CCC1 ZINC000971687957 624505068 /nfs/dbraw/zinc/50/50/68/624505068.db2.gz QYNLEBIFZUBXGW-KRWDZBQOSA-N 1 3 321.509 2.440 20 0 DEADHO CN(CC(=O)N1CC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C1)C1CCC1 ZINC000971687957 624505070 /nfs/dbraw/zinc/50/50/70/624505070.db2.gz QYNLEBIFZUBXGW-KRWDZBQOSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CCc2cccs2)C1)N(C)C ZINC000971778523 624545931 /nfs/dbraw/zinc/54/59/31/624545931.db2.gz OJKVDIWYWLAGJI-GOEBONIOSA-N 1 3 323.506 2.164 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCc2cccs2)C1)N(C)C ZINC000971778523 624545932 /nfs/dbraw/zinc/54/59/32/624545932.db2.gz OJKVDIWYWLAGJI-GOEBONIOSA-N 1 3 323.506 2.164 20 0 DEADHO CC1(C)C[NH2+]CC[C@@H](NC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000891857765 624632655 /nfs/dbraw/zinc/63/26/55/624632655.db2.gz FSSDUSHNGCKNNR-GDBMZVCRSA-N 1 3 322.497 2.081 20 0 DEADHO CN(C(=O)NCCC[N@H+](C)C1CCCCC1)[C@H]1CCCN(C)C1 ZINC000891893924 624649439 /nfs/dbraw/zinc/64/94/39/624649439.db2.gz YVJDWWUCPRHOKT-KRWDZBQOSA-N 1 3 324.513 2.377 20 0 DEADHO CN(C(=O)NCCC[N@@H+](C)C1CCCCC1)[C@H]1CCCN(C)C1 ZINC000891893924 624649440 /nfs/dbraw/zinc/64/94/40/624649440.db2.gz YVJDWWUCPRHOKT-KRWDZBQOSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)CC2CCCC2)C1 ZINC000972333229 624932591 /nfs/dbraw/zinc/93/25/91/624932591.db2.gz UVBGCNPBXZZHNJ-RDJZCZTQSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)CC2CCCC2)C1 ZINC000972333229 624932593 /nfs/dbraw/zinc/93/25/93/624932593.db2.gz UVBGCNPBXZZHNJ-RDJZCZTQSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]Cc2cn3ccnc3s2)C[C@H](C)O1 ZINC000893039556 625072076 /nfs/dbraw/zinc/07/20/76/625072076.db2.gz YOSBQLKFTSSVFP-OKILXGFUSA-N 1 3 322.478 2.375 20 0 DEADHO CN(C)C1(C(=O)N2CCCC[C@H]2C[NH2+]CC2CCC2)CCC1 ZINC001024982132 625126682 /nfs/dbraw/zinc/12/66/82/625126682.db2.gz FZVPZSFWCUHBJP-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CC1CC(C[NH2+]C[C@H]2CCCCN2C(=O)C2(N(C)C)CCC2)C1 ZINC001024982501 625126696 /nfs/dbraw/zinc/12/66/96/625126696.db2.gz QXELUNNCTYHOES-OFLPRAFFSA-N 1 3 321.509 2.488 20 0 DEADHO CC1CC(C[NH2+]C[C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001024982766 625127107 /nfs/dbraw/zinc/12/71/07/625127107.db2.gz BGKNJSOLGJUHBW-LEOMRAHMSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)(C)N1CCC([NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000892633042 625209178 /nfs/dbraw/zinc/20/91/78/625209178.db2.gz QMVVDQATNPJWHN-LSDHHAIUSA-N 1 3 314.445 2.473 20 0 DEADHO CC(C)[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC001026268475 625240965 /nfs/dbraw/zinc/24/09/65/625240965.db2.gz ZWRRFRZFQMDYFY-GVDBMIGSSA-N 1 3 321.509 2.486 20 0 DEADHO C(N[C@@H]1CC[NH2+]C12CCC2)C1(N2CCSCC2)CCCC1 ZINC000925541199 625273240 /nfs/dbraw/zinc/27/32/40/625273240.db2.gz AWUNPZQOYMHVRT-OAHLLOKOSA-N 1 3 309.523 2.222 20 0 DEADHO [NH3+]CC12CCC(CC1)N2C(=O)N1CCN(C2CCCCC2)CC1 ZINC000892465606 625751251 /nfs/dbraw/zinc/75/12/51/625751251.db2.gz SOYLZSSYIOIIHW-UHFFFAOYSA-N 1 3 320.481 2.012 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC1 ZINC001024437586 625774476 /nfs/dbraw/zinc/77/44/76/625774476.db2.gz UJGOXRUCKFMGGZ-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CC1 ZINC001024437586 625774483 /nfs/dbraw/zinc/77/44/83/625774483.db2.gz UJGOXRUCKFMGGZ-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001024437498 625774552 /nfs/dbraw/zinc/77/45/52/625774552.db2.gz SIGSMAZZEBKLLM-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001024437498 625774562 /nfs/dbraw/zinc/77/45/62/625774562.db2.gz SIGSMAZZEBKLLM-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO CC1CCC(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)CC1 ZINC001019774926 625832130 /nfs/dbraw/zinc/83/21/30/625832130.db2.gz NSFBRBQEQHRQRJ-JCYILVPMSA-N 1 3 307.482 2.099 20 0 DEADHO CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000892498119 625902448 /nfs/dbraw/zinc/90/24/48/625902448.db2.gz DYORDVKPKGFGBB-OAHLLOKOSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H]1OC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@@H]1C ZINC000926695921 625963971 /nfs/dbraw/zinc/96/39/71/625963971.db2.gz ZLQGAUFQVYBWDM-RVKKMQEKSA-N 1 3 303.450 2.307 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCC2CC2)C1 ZINC000999144766 634493775 /nfs/dbraw/zinc/49/37/75/634493775.db2.gz NSONVIFMIPDRSM-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518050 634496247 /nfs/dbraw/zinc/49/62/47/634496247.db2.gz MZPWYSGBHDTRHQ-KSZLIROESA-N 1 3 319.493 2.217 20 0 DEADHO CC(C)=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518050 634496253 /nfs/dbraw/zinc/49/62/53/634496253.db2.gz MZPWYSGBHDTRHQ-KSZLIROESA-N 1 3 319.493 2.217 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CC2CCCC2)C1)C1CC1 ZINC000999372229 634578070 /nfs/dbraw/zinc/57/80/70/634578070.db2.gz OPCGLCGQKAOKHI-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1cccc(C[NH2+]C2CC(N(C)C(=O)CN3CCCC3)C2)c1 ZINC000999834878 634692015 /nfs/dbraw/zinc/69/20/15/634692015.db2.gz ZJCRGTWQLDZGMM-UHFFFAOYSA-N 1 3 315.461 2.170 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2C)C1)N(C)C ZINC001000217480 634795432 /nfs/dbraw/zinc/79/54/32/634795432.db2.gz GYYCRZQGRLJGED-ROUUACIJSA-N 1 3 317.477 2.416 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](C(C)C)CC1(C)C ZINC000974760417 633284589 /nfs/dbraw/zinc/28/45/89/633284589.db2.gz QZOKZMOYZKDUHF-JKSUJKDBSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](C(C)C)CC1(C)C ZINC000974760417 633284594 /nfs/dbraw/zinc/28/45/94/633284594.db2.gz QZOKZMOYZKDUHF-JKSUJKDBSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](C(C)C)CC1(C)C ZINC000974760415 633285132 /nfs/dbraw/zinc/28/51/32/633285132.db2.gz QZOKZMOYZKDUHF-HOTGVXAUSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1C[N@H+](C(C)C)CC1(C)C ZINC000974760415 633285136 /nfs/dbraw/zinc/28/51/36/633285136.db2.gz QZOKZMOYZKDUHF-HOTGVXAUSA-N 1 3 309.498 2.342 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]CC2=CCCCC2)CC1)C1CC1 ZINC000996674851 633343295 /nfs/dbraw/zinc/34/32/95/633343295.db2.gz CZJRJDVZABUINK-GOSISDBHSA-N 1 3 319.493 2.408 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccccc2)C1)N(C)C ZINC001027044523 633370216 /nfs/dbraw/zinc/37/02/16/633370216.db2.gz YCUUMICKENSROO-QZTJIDSGSA-N 1 3 317.477 2.211 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]CC3CCCCC3)C2)C1 ZINC001027064899 633385813 /nfs/dbraw/zinc/38/58/13/633385813.db2.gz MMRQBABMAGGWNE-AEFFLSMTSA-N 1 3 321.509 2.347 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)C1)N(C)C ZINC001027069742 633418791 /nfs/dbraw/zinc/41/87/91/633418791.db2.gz APEBGARHYUDVKS-SJORKVTESA-N 1 3 307.482 2.265 20 0 DEADHO CC1(C)CCN(CC(=O)N2CCC([NH2+]CCC3CC3)CC2)C1 ZINC000996997725 633556356 /nfs/dbraw/zinc/55/63/56/633556356.db2.gz GCDLAMCBWDQASB-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC000996996916 633559247 /nfs/dbraw/zinc/55/92/47/633559247.db2.gz AOWVZLHKTLJUQH-MRXNPFEDSA-N 1 3 315.461 2.109 20 0 DEADHO Cc1ccc(C[NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)cc1 ZINC000997052394 633565322 /nfs/dbraw/zinc/56/53/22/633565322.db2.gz FZVUIVQKKAOFBQ-UHFFFAOYSA-N 1 3 312.417 2.041 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H](O)c1cccc(Br)c1 ZINC000817928939 633569978 /nfs/dbraw/zinc/56/99/78/633569978.db2.gz INAXOMJFWCZDQM-OPQQBVKSSA-N 1 3 301.228 2.198 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1c2c(nn1C)CCOC2 ZINC000921531859 633617876 /nfs/dbraw/zinc/61/78/76/633617876.db2.gz DHYUUAAQKWBWIP-HNNXBMFYSA-N 1 3 320.481 2.237 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCCNCc1c2c(nn1C)CCOC2 ZINC000921531859 633617879 /nfs/dbraw/zinc/61/78/79/633617879.db2.gz DHYUUAAQKWBWIP-HNNXBMFYSA-N 1 3 320.481 2.237 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2CC2)C1 ZINC001027409805 633748292 /nfs/dbraw/zinc/74/82/92/633748292.db2.gz NYINXGDZLRAUIB-IAGOWNOFSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CC2)C1 ZINC001027409805 633748294 /nfs/dbraw/zinc/74/82/94/633748294.db2.gz NYINXGDZLRAUIB-IAGOWNOFSA-N 1 3 307.482 2.192 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC(C[NH2+]CC2CCCC2)CC1)C1CC1 ZINC000997829613 634002562 /nfs/dbraw/zinc/00/25/62/634002562.db2.gz BBTORMDMMQDVKJ-SFHVURJKSA-N 1 3 321.509 2.345 20 0 DEADHO C[N@H+](CC1CCCCC1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594830 634239429 /nfs/dbraw/zinc/23/94/29/634239429.db2.gz PHSRNBVFRFPYGL-QGZVFWFLSA-N 1 3 318.465 2.455 20 0 DEADHO C[N@@H+](CC1CCCCC1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594830 634239433 /nfs/dbraw/zinc/23/94/33/634239433.db2.gz PHSRNBVFRFPYGL-QGZVFWFLSA-N 1 3 318.465 2.455 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC=C(C)C ZINC001027918250 634963959 /nfs/dbraw/zinc/96/39/59/634963959.db2.gz LFNCBMQZLPXOEC-IAGOWNOFSA-N 1 3 307.482 2.408 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC=C(C)C ZINC001027918250 634963961 /nfs/dbraw/zinc/96/39/61/634963961.db2.gz LFNCBMQZLPXOEC-IAGOWNOFSA-N 1 3 307.482 2.408 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN1CC=C(C)C ZINC001027918250 634963963 /nfs/dbraw/zinc/96/39/63/634963963.db2.gz LFNCBMQZLPXOEC-IAGOWNOFSA-N 1 3 307.482 2.408 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN1CC=C(C)C ZINC001027918250 634963966 /nfs/dbraw/zinc/96/39/66/634963966.db2.gz LFNCBMQZLPXOEC-IAGOWNOFSA-N 1 3 307.482 2.408 20 0 DEADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cs1 ZINC000980407104 634989454 /nfs/dbraw/zinc/98/94/54/634989454.db2.gz VKWGLZBADXEVCQ-CVEARBPZSA-N 1 3 321.490 2.041 20 0 DEADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cs1 ZINC000980407104 634989458 /nfs/dbraw/zinc/98/94/58/634989458.db2.gz VKWGLZBADXEVCQ-CVEARBPZSA-N 1 3 321.490 2.041 20 0 DEADHO CCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC000980477157 635015906 /nfs/dbraw/zinc/01/59/06/635015906.db2.gz CBSHPYUIGYJCQK-MRXNPFEDSA-N 1 3 303.450 2.305 20 0 DEADHO CCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC000980477157 635015908 /nfs/dbraw/zinc/01/59/08/635015908.db2.gz CBSHPYUIGYJCQK-MRXNPFEDSA-N 1 3 303.450 2.305 20 0 DEADHO CN1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC(F)(F)F ZINC001027972369 635130196 /nfs/dbraw/zinc/13/01/96/635130196.db2.gz UEMYAYPCPIZWHF-QWHCGFSZSA-N 1 3 321.387 2.004 20 0 DEADHO CN1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC(F)(F)F ZINC001027972369 635130200 /nfs/dbraw/zinc/13/02/00/635130200.db2.gz UEMYAYPCPIZWHF-QWHCGFSZSA-N 1 3 321.387 2.004 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCN1CCC(F)(F)F ZINC001027972369 635130202 /nfs/dbraw/zinc/13/02/02/635130202.db2.gz UEMYAYPCPIZWHF-QWHCGFSZSA-N 1 3 321.387 2.004 20 0 DEADHO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCN1CCC(F)(F)F ZINC001027972369 635130206 /nfs/dbraw/zinc/13/02/06/635130206.db2.gz UEMYAYPCPIZWHF-QWHCGFSZSA-N 1 3 321.387 2.004 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001000319236 635143462 /nfs/dbraw/zinc/14/34/62/635143462.db2.gz BUJMGDNNJBVMIO-OAHLLOKOSA-N 1 3 302.422 2.033 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC1CC1 ZINC001027985318 635168003 /nfs/dbraw/zinc/16/80/03/635168003.db2.gz GRCVUSVEGWRBEG-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1CC1 ZINC001027985318 635168006 /nfs/dbraw/zinc/16/80/06/635168006.db2.gz GRCVUSVEGWRBEG-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001000661905 635260925 /nfs/dbraw/zinc/26/09/25/635260925.db2.gz HCWKIIJTNYNLLX-KRWDZBQOSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001000661905 635260930 /nfs/dbraw/zinc/26/09/30/635260930.db2.gz HCWKIIJTNYNLLX-KRWDZBQOSA-N 1 3 307.482 2.264 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC1=CC[N@H+](CC(C)C)CC1 ZINC001001472730 635504251 /nfs/dbraw/zinc/50/42/51/635504251.db2.gz VEWCPKKGLPUXRP-QGZVFWFLSA-N 1 3 307.482 2.265 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC1=CC[N@@H+](CC(C)C)CC1 ZINC001001472730 635504255 /nfs/dbraw/zinc/50/42/55/635504255.db2.gz VEWCPKKGLPUXRP-QGZVFWFLSA-N 1 3 307.482 2.265 20 0 DEADHO CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000981538588 635522219 /nfs/dbraw/zinc/52/22/19/635522219.db2.gz PTRAFNYOURAZGW-DLBZAZTESA-N 1 3 303.450 2.399 20 0 DEADHO C[C@]1(CNc2ccncc2CO)CC[N@H+](Cc2ccccc2)C1 ZINC000893665226 635744352 /nfs/dbraw/zinc/74/43/52/635744352.db2.gz IGXHEDOHXOLFJM-LJQANCHMSA-N 1 3 311.429 2.320 20 0 DEADHO C[C@]1(CNc2ccncc2CO)CC[N@@H+](Cc2ccccc2)C1 ZINC000893665226 635744357 /nfs/dbraw/zinc/74/43/57/635744357.db2.gz IGXHEDOHXOLFJM-LJQANCHMSA-N 1 3 311.429 2.320 20 0 DEADHO CCS(=O)(=O)c1ccccc1CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000925833900 635832080 /nfs/dbraw/zinc/83/20/80/635832080.db2.gz LMFQQPLFDQBVTC-CVEARBPZSA-N 1 3 324.490 2.272 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[N@H+](CC2CC2)CC1 ZINC000982081453 635862954 /nfs/dbraw/zinc/86/29/54/635862954.db2.gz QRDGWLZFOPAQSH-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[N@@H+](CC2CC2)CC1 ZINC000982081453 635862958 /nfs/dbraw/zinc/86/29/58/635862958.db2.gz QRDGWLZFOPAQSH-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@@]2(C)C1 ZINC000982296557 635954927 /nfs/dbraw/zinc/95/49/27/635954927.db2.gz UWONLMZTWZMZOA-QRQLOZEOSA-N 1 3 321.509 2.297 20 0 DEADHO CCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@@]2(C)C1 ZINC000982296557 635954928 /nfs/dbraw/zinc/95/49/28/635954928.db2.gz UWONLMZTWZMZOA-QRQLOZEOSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC(NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001003423577 635965801 /nfs/dbraw/zinc/96/58/01/635965801.db2.gz GUKBDWVFQMBVHF-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](F)CC[NH+]1CCC(NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001003424981 635966476 /nfs/dbraw/zinc/96/64/76/635966476.db2.gz YDHKKTBEMWQMKV-AWEZNQCLSA-N 1 3 313.461 2.190 20 0 DEADHO C[NH+](C)CC1CCN(C[C@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000929283639 636015705 /nfs/dbraw/zinc/01/57/05/636015705.db2.gz VDXZIJROZMPUHZ-NSHDSACASA-N 1 3 318.330 2.209 20 0 DEADHO Cc1cc(CN2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)cs1 ZINC001028316736 636127422 /nfs/dbraw/zinc/12/74/22/636127422.db2.gz UEVJYUROAZZONI-HZPDHXFCSA-N 1 3 321.490 2.089 20 0 DEADHO Cc1cc(CN2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)cs1 ZINC001028316736 636127423 /nfs/dbraw/zinc/12/74/23/636127423.db2.gz UEVJYUROAZZONI-HZPDHXFCSA-N 1 3 321.490 2.089 20 0 DEADHO COc1ccsc1CN[C@@H]1C[C@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922389468 636148722 /nfs/dbraw/zinc/14/87/22/636148722.db2.gz WFBZMIQWBZXUFC-BQGCOEIASA-N 1 3 324.490 2.326 20 0 DEADHO COc1ccsc1CN[C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922389468 636148781 /nfs/dbraw/zinc/14/87/81/636148781.db2.gz WFBZMIQWBZXUFC-BQGCOEIASA-N 1 3 324.490 2.326 20 0 DEADHO CC(C)=CC[NH+]1CCC(NC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001004201945 636220414 /nfs/dbraw/zinc/22/04/14/636220414.db2.gz BLMRUOXMBIFDBL-IYBDPMFKSA-N 1 3 307.482 2.406 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN(C/C=C/Cl)C1 ZINC001028580172 636372769 /nfs/dbraw/zinc/37/27/69/636372769.db2.gz RGGZITDWJOSKHZ-HYBGQWMJSA-N 1 3 313.873 2.051 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN(C/C=C/Cl)C1 ZINC001028580172 636372772 /nfs/dbraw/zinc/37/27/72/636372772.db2.gz RGGZITDWJOSKHZ-HYBGQWMJSA-N 1 3 313.873 2.051 20 0 DEADHO CCO[C@H](C[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1)CN(C)C ZINC000922758601 636381209 /nfs/dbraw/zinc/38/12/09/636381209.db2.gz XWGWJHFTBBIZDC-YTQUADARSA-N 1 3 319.493 2.378 20 0 DEADHO CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982832076 636496737 /nfs/dbraw/zinc/49/67/37/636496737.db2.gz UFELXBSKPFMDBD-PBWTXFEYSA-N 1 3 321.509 2.440 20 0 DEADHO CCC[N@H+]1C[C@@]2(C)CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982832076 636496742 /nfs/dbraw/zinc/49/67/42/636496742.db2.gz UFELXBSKPFMDBD-PBWTXFEYSA-N 1 3 321.509 2.440 20 0 DEADHO CC(=O)OC[C@H](C)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000894226531 636498695 /nfs/dbraw/zinc/49/86/95/636498695.db2.gz JWUQINDSFPGXIB-YJBOKZPZSA-N 1 3 304.434 2.440 20 0 DEADHO CC(=O)OC[C@H](C)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000894226531 636498697 /nfs/dbraw/zinc/49/86/97/636498697.db2.gz JWUQINDSFPGXIB-YJBOKZPZSA-N 1 3 304.434 2.440 20 0 DEADHO CC(C)=CCN1CC[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001014723406 636680269 /nfs/dbraw/zinc/68/02/69/636680269.db2.gz PNAPSWIEABMOIR-SJORKVTESA-N 1 3 307.482 2.406 20 0 DEADHO CC(C)=CCN1CC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001014723406 636680272 /nfs/dbraw/zinc/68/02/72/636680272.db2.gz PNAPSWIEABMOIR-SJORKVTESA-N 1 3 307.482 2.406 20 0 DEADHO CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001028844963 636783059 /nfs/dbraw/zinc/78/30/59/636783059.db2.gz FCMCOKMSIJDJOO-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001028844963 636783062 /nfs/dbraw/zinc/78/30/62/636783062.db2.gz FCMCOKMSIJDJOO-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC2CC2)C1 ZINC001028845398 636784019 /nfs/dbraw/zinc/78/40/19/636784019.db2.gz KGBFVYQLIOZFER-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001028845398 636784024 /nfs/dbraw/zinc/78/40/24/636784024.db2.gz KGBFVYQLIOZFER-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc([O-])cc(F)c1 ZINC000925024155 636894250 /nfs/dbraw/zinc/89/42/50/636894250.db2.gz RHDOKEJDPQTFRT-XJKSGUPXSA-N 1 3 310.413 2.419 20 0 DEADHO C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc([O-])cc(F)c1 ZINC000925024155 636894254 /nfs/dbraw/zinc/89/42/54/636894254.db2.gz RHDOKEJDPQTFRT-XJKSGUPXSA-N 1 3 310.413 2.419 20 0 DEADHO CC(C)=CC[NH+]1CCC(N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC001005993140 637049582 /nfs/dbraw/zinc/04/95/82/637049582.db2.gz ZEVBMWLNYNEXNZ-INIZCTEOSA-N 1 3 307.482 2.217 20 0 DEADHO CN(C)CCC[N@H+](C)CCNc1ccc(C(F)(F)F)nc1 ZINC000894520517 637084040 /nfs/dbraw/zinc/08/40/40/637084040.db2.gz AYDXLVAQCVCCSZ-UHFFFAOYSA-N 1 3 304.360 2.396 20 0 DEADHO CN(C)CCC[N@@H+](C)CCNc1ccc(C(F)(F)F)nc1 ZINC000894520517 637084043 /nfs/dbraw/zinc/08/40/43/637084043.db2.gz AYDXLVAQCVCCSZ-UHFFFAOYSA-N 1 3 304.360 2.396 20 0 DEADHO c1csc(CN(C[C@H]2CCCO2)C[C@@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923302725 637101600 /nfs/dbraw/zinc/10/16/00/637101600.db2.gz VHGRLUTZLAYLCW-CABCVRRESA-N 1 3 322.474 2.108 20 0 DEADHO c1ccc(CN(C[C@@H]2CCCO2)C[C@@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923310824 637110334 /nfs/dbraw/zinc/11/03/34/637110334.db2.gz YWHUZVCDCRWOMQ-ROUUACIJSA-N 1 3 316.445 2.046 20 0 DEADHO CCCN(C[C@@H](O)COc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000923327840 637110935 /nfs/dbraw/zinc/11/09/35/637110935.db2.gz RRGIPPLNGYWKRY-MRXNPFEDSA-N 1 3 310.413 2.029 20 0 DEADHO CCC[N@H+](C[C@@H](O)COc1ccc(F)cc1)C1CCNCC1 ZINC000923327840 637110939 /nfs/dbraw/zinc/11/09/39/637110939.db2.gz RRGIPPLNGYWKRY-MRXNPFEDSA-N 1 3 310.413 2.029 20 0 DEADHO CCC[N@@H+](C[C@@H](O)COc1ccc(F)cc1)C1CCNCC1 ZINC000923327840 637110942 /nfs/dbraw/zinc/11/09/42/637110942.db2.gz RRGIPPLNGYWKRY-MRXNPFEDSA-N 1 3 310.413 2.029 20 0 DEADHO NC1(C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CCC1 ZINC000923330980 637113221 /nfs/dbraw/zinc/11/32/21/637113221.db2.gz DYTJZYQDYNZPGE-LLVKDONJSA-N 1 3 319.232 2.204 20 0 DEADHO CC(C)c1ccc(-c2nc(CNC(CN)C[NH3+])cs2)cc1 ZINC000923354374 637135173 /nfs/dbraw/zinc/13/51/73/637135173.db2.gz MIQMUZHHRSKFIH-UHFFFAOYSA-N 1 3 304.463 2.309 20 0 DEADHO CCc1onc(C)c1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000923410671 637165443 /nfs/dbraw/zinc/16/54/43/637165443.db2.gz OIABLTNITLSKCJ-HNNXBMFYSA-N 1 3 307.438 2.136 20 0 DEADHO [NH3+]CC[C@H]1CCN(C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000923480008 637202255 /nfs/dbraw/zinc/20/22/55/637202255.db2.gz TYVJZVSWDIOHQX-FZMZJTMJSA-N 1 3 302.340 2.410 20 0 DEADHO [NH3+]CC[C@@H]1CCN(C[C@@H](O)c2cccc(Br)c2)C1 ZINC000923479174 637202345 /nfs/dbraw/zinc/20/23/45/637202345.db2.gz NUNRMHVSUCVBCN-BXUZGUMPSA-N 1 3 313.239 2.153 20 0 DEADHO C[C@@H]1CN(CC(=O)NC2(c3ccccc3)CCC2)CC[C@@H]1C[NH3+] ZINC000923496483 637207977 /nfs/dbraw/zinc/20/79/77/637207977.db2.gz IWKUGPJGOUBXFT-HZPDHXFCSA-N 1 3 315.461 2.099 20 0 DEADHO CCOc1ccc(NC(=O)[C@H](C)N2CC[C@@H](CC[NH3+])C2)cc1 ZINC000923489521 637209023 /nfs/dbraw/zinc/20/90/23/637209023.db2.gz YHZLDKVABKUOAD-UONOGXRCSA-N 1 3 305.422 2.083 20 0 DEADHO C[C@@H](c1ccccc1)N(C)C(=O)CN1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923502117 637211397 /nfs/dbraw/zinc/21/13/97/637211397.db2.gz YLJSNKHMSJERPF-HLLBOEOZSA-N 1 3 303.450 2.123 20 0 DEADHO C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923499164 637215986 /nfs/dbraw/zinc/21/59/86/637215986.db2.gz KRZATLNWQZHCIG-VNHYZAJKSA-N 1 3 323.868 2.261 20 0 DEADHO C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923499162 637216472 /nfs/dbraw/zinc/21/64/72/637216472.db2.gz KRZATLNWQZHCIG-NFAWXSAZSA-N 1 3 323.868 2.261 20 0 DEADHO CC(C)[C@H](NC(=O)CN1CC[C@@H](C[NH3+])[C@H](C)C1)c1ccccc1 ZINC000923501552 637218733 /nfs/dbraw/zinc/21/87/33/637218733.db2.gz TUSYFARDOCJABM-AYBZRNKSSA-N 1 3 317.477 2.417 20 0 DEADHO C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923501590 637218744 /nfs/dbraw/zinc/21/87/44/637218744.db2.gz TZFWBTVXPWFWQX-IJEWVQPXSA-N 1 3 321.440 2.262 20 0 DEADHO CCc1ccc([C@H](C)NC(=O)CN2CC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923503942 637218920 /nfs/dbraw/zinc/21/89/20/637218920.db2.gz MUEFFKGWPLINRR-RVKKMQEKSA-N 1 3 317.477 2.343 20 0 DEADHO CCCCNC(=O)[C@@H](C)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923504220 637219954 /nfs/dbraw/zinc/21/99/54/637219954.db2.gz VEILMVVKTZMCMD-HZPDHXFCSA-N 1 3 309.498 2.393 20 0 DEADHO [NH3+][C@@H]1CC[C@H](CN2C[C@H](C[C@@H]3COCCN3)c3ccccc32)C1 ZINC000923540750 637238500 /nfs/dbraw/zinc/23/85/00/637238500.db2.gz NBUAIJGYIXIIBG-MWDXBVQZSA-N 1 3 315.461 2.096 20 0 DEADHO CC(C)C[NH+]1CCC(N(C)C(=O)CN2CCC(C)CC2)CC1 ZINC001006183839 637269455 /nfs/dbraw/zinc/26/94/55/637269455.db2.gz NLTMXKCRVOSQEE-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H]([NH2+]CC1CCC1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001029173688 637292873 /nfs/dbraw/zinc/29/28/73/637292873.db2.gz QMGYLGJCFMNTGE-HNNXBMFYSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001029306204 637581083 /nfs/dbraw/zinc/58/10/83/637581083.db2.gz MFYWFOSGZHTLMP-KSZLIROESA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001029306204 637581086 /nfs/dbraw/zinc/58/10/86/637581086.db2.gz MFYWFOSGZHTLMP-KSZLIROESA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(C)C)C1 ZINC001029335934 637618823 /nfs/dbraw/zinc/61/88/23/637618823.db2.gz CCGTYAPXYGXYEH-YESZJQIVSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(C)C)C1 ZINC001029335934 637618827 /nfs/dbraw/zinc/61/88/27/637618827.db2.gz CCGTYAPXYGXYEH-YESZJQIVSA-N 1 3 307.482 2.048 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)NCC[C@H](C)[NH+](C)C)cc1 ZINC000895292977 637896079 /nfs/dbraw/zinc/89/60/79/637896079.db2.gz FDTSKLFCHRWSBO-KBPBESRZSA-N 1 3 307.438 2.342 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@H](C)N(C)C)cc1 ZINC000895292977 637896082 /nfs/dbraw/zinc/89/60/82/637896082.db2.gz FDTSKLFCHRWSBO-KBPBESRZSA-N 1 3 307.438 2.342 20 0 DEADHO COC(=O)[C@@H]1[C@@H](CN(C)CCCC[NH+]2CCCCC2)C1(F)F ZINC000895683449 638149275 /nfs/dbraw/zinc/14/92/75/638149275.db2.gz LQSWZSFADXXBFU-KGLIPLIRSA-N 1 3 318.408 2.239 20 0 DEADHO CCC1(N2CCC2)CC[NH+](C[C@H](OC)C2CCOCC2)CC1 ZINC000895822115 638216891 /nfs/dbraw/zinc/21/68/91/638216891.db2.gz JWVLABILWVOHII-KRWDZBQOSA-N 1 3 310.482 2.378 20 0 DEADHO CN(CC(C)(C)C[NH+](C)C)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000896009794 638306286 /nfs/dbraw/zinc/30/62/86/638306286.db2.gz CFLNKEBPJVUBKH-INIZCTEOSA-N 1 3 324.513 2.233 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H](N[C@H]2CCCC[NH2+]C2)C1 ZINC000841091379 650428569 /nfs/dbraw/zinc/42/85/69/650428569.db2.gz WNDGUPKIRSVOQH-UPJWGTAASA-N 1 3 304.381 2.085 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC000984799759 638693124 /nfs/dbraw/zinc/69/31/24/638693124.db2.gz JVFJLAIZXANEQK-KBAYOESNSA-N 1 3 319.493 2.456 20 0 DEADHO CC(C)[C@@H](C)N(C)CCS(=O)(=O)CC[N@H+](C)[C@H](C)C(C)C ZINC000728052710 638760470 /nfs/dbraw/zinc/76/04/70/638760470.db2.gz KCCXZPFXCKLTLI-HZPDHXFCSA-N 1 3 320.543 2.354 20 0 DEADHO CC(C)[C@@H](C)N(C)CCS(=O)(=O)CC[N@@H+](C)[C@H](C)C(C)C ZINC000728052710 638760473 /nfs/dbraw/zinc/76/04/73/638760473.db2.gz KCCXZPFXCKLTLI-HZPDHXFCSA-N 1 3 320.543 2.354 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2C(C)C)[NH+]1CCCC1 ZINC001029598010 639332330 /nfs/dbraw/zinc/33/23/30/639332330.db2.gz UQTXAENVZMXIJF-BBWFWOEESA-N 1 3 307.482 2.190 20 0 DEADHO C[N@@H+](CC1=CCCCC1)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029852748 639571824 /nfs/dbraw/zinc/57/18/24/639571824.db2.gz HYUIWSRBQLRFIJ-INIZCTEOSA-N 1 3 316.449 2.233 20 0 DEADHO C[N@H+](CC1=CCCCC1)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029852748 639571825 /nfs/dbraw/zinc/57/18/25/639571825.db2.gz HYUIWSRBQLRFIJ-INIZCTEOSA-N 1 3 316.449 2.233 20 0 DEADHO C[N@@H+](CC1=CCCCC1)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904271 639755999 /nfs/dbraw/zinc/75/59/99/639755999.db2.gz RONIFPGQHQNROV-GOSISDBHSA-N 1 3 319.493 2.363 20 0 DEADHO C[N@H+](CC1=CCCCC1)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904271 639756002 /nfs/dbraw/zinc/75/60/02/639756002.db2.gz RONIFPGQHQNROV-GOSISDBHSA-N 1 3 319.493 2.363 20 0 DEADHO c1ccn2c(c1)nnc2CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000321032222 639895052 /nfs/dbraw/zinc/89/50/52/639895052.db2.gz XDFNAKSYVRCMMV-BZUAXINKSA-N 1 3 313.449 2.172 20 0 DEADHO CC[C@H]1CN(c2cc(C)nc(N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000758939768 640011440 /nfs/dbraw/zinc/01/14/40/640011440.db2.gz JBDNMNWLIPHGRZ-INIZCTEOSA-N 1 3 311.433 2.468 20 0 DEADHO CC[C@H]1CN(c2cc(C)nc(N)n2)CC[N@H+]1Cc1ccccc1 ZINC000758939768 640011445 /nfs/dbraw/zinc/01/14/45/640011445.db2.gz JBDNMNWLIPHGRZ-INIZCTEOSA-N 1 3 311.433 2.468 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H]1C ZINC000987058974 640068451 /nfs/dbraw/zinc/06/84/51/640068451.db2.gz OGHTYOHKFBGMFQ-PBHICJAKSA-N 1 3 312.417 2.040 20 0 DEADHO C[C@H]1[C@H]([NH2+]Cc2ccc(F)cc2)CCN1C(=O)CN1CCCC1 ZINC000987521100 640212424 /nfs/dbraw/zinc/21/24/24/640212424.db2.gz WXTRMMPARDBDCI-WMLDXEAASA-N 1 3 319.424 2.001 20 0 DEADHO C[C@@H]1[C@@H]([NH2+]CC2CCCCC2)CCN1C(=O)CN1CCCC1 ZINC000987534712 640214909 /nfs/dbraw/zinc/21/49/09/640214909.db2.gz WEYXQINMPMHHSW-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc(Cl)n1 ZINC000841849080 650578626 /nfs/dbraw/zinc/57/86/26/650578626.db2.gz PHHHNYXTNFNISC-IACUBPJLSA-N 1 3 324.856 2.067 20 0 DEADHO CN(C)C1(C(=O)NC2CC[NH+](CC3CCCC3)CC2)CCC1 ZINC000763028562 640493712 /nfs/dbraw/zinc/49/37/12/640493712.db2.gz HJYHBSMCMBHSRY-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](O)c2ccc(C)o2)[C@H](C)C1 ZINC000766138066 640852461 /nfs/dbraw/zinc/85/24/61/640852461.db2.gz GBEAJZZZNUTJMI-PVAVHDDUSA-N 1 3 324.465 2.348 20 0 DEADHO COc1ccc([C@H](NC(C)C)C(=O)NC(C)(C)C[NH+](C)C)cc1 ZINC000897949592 640983928 /nfs/dbraw/zinc/98/39/28/640983928.db2.gz WMFWADPHDASQRB-INIZCTEOSA-N 1 3 321.465 2.191 20 0 DEADHO CC(C)CC[N@@H+]1CCCN(C(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC000989728698 641211108 /nfs/dbraw/zinc/21/11/08/641211108.db2.gz SFXKVDUBCKWLDB-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CC[N@H+]1CCCN(C(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC000989728698 641211111 /nfs/dbraw/zinc/21/11/11/641211111.db2.gz SFXKVDUBCKWLDB-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC2CC2)CN1C(=O)c1cccc(CN(C)C)c1 ZINC000989826829 641249356 /nfs/dbraw/zinc/24/93/56/641249356.db2.gz UQSWOKJNOCGXTH-KDOFPFPSSA-N 1 3 315.461 2.351 20 0 DEADHO C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccccc1 ZINC000990243655 641408477 /nfs/dbraw/zinc/40/84/77/641408477.db2.gz HYTDRCYLIMUUMC-QAPCUYQASA-N 1 3 315.461 2.422 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000926916793 641490223 /nfs/dbraw/zinc/49/02/23/641490223.db2.gz QZMLXMIFCKVGHB-DYPLGBCKSA-N 1 3 306.372 2.416 20 0 DEADHO CC1(C)C[NH2+]CC[C@H](NCc2ccccc2Cn2cncn2)C1 ZINC000902339241 642999369 /nfs/dbraw/zinc/99/93/69/642999369.db2.gz YXEOWIVFOXFKHK-KRWDZBQOSA-N 1 3 313.449 2.194 20 0 DEADHO CC1(C)C[NH2+]CC[C@H](NCCNC(=O)c2ccccc2Cl)C1 ZINC000902364162 643020702 /nfs/dbraw/zinc/02/07/02/643020702.db2.gz PKCRVXAKSWANQQ-ZDUSSCGKSA-N 1 3 323.868 2.438 20 0 DEADHO NOCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000902426593 643035282 /nfs/dbraw/zinc/03/52/82/643035282.db2.gz VRBHCALZTSUQGE-KZNAEPCWSA-N 1 3 303.450 2.157 20 0 DEADHO CC(C)CN1CCO[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903057470 643233006 /nfs/dbraw/zinc/23/30/06/643233006.db2.gz CIHOWSLZRPGHMK-ZCTYVAAUSA-N 1 3 321.509 2.091 20 0 DEADHO CC(C)CN1CCO[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903057470 643233015 /nfs/dbraw/zinc/23/30/15/643233015.db2.gz CIHOWSLZRPGHMK-ZCTYVAAUSA-N 1 3 321.509 2.091 20 0 DEADHO CCNC(=O)C1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCC1 ZINC000903161494 643272433 /nfs/dbraw/zinc/27/24/33/643272433.db2.gz TUXISDKHOVKLJB-VHRNVKJDSA-N 1 3 305.466 2.040 20 0 DEADHO CCNC(=O)C1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCC1 ZINC000903161494 643272434 /nfs/dbraw/zinc/27/24/34/643272434.db2.gz TUXISDKHOVKLJB-VHRNVKJDSA-N 1 3 305.466 2.040 20 0 DEADHO C(OC1CCN(C[C@H]2CCCC[NH2+]C2)CC1)[C@H]1CCCCO1 ZINC000903734913 643448376 /nfs/dbraw/zinc/44/83/76/643448376.db2.gz XKKGGBUYIQRPCA-FUHWJXTLSA-N 1 3 310.482 2.426 20 0 DEADHO CC(C)N(Cc1ccccn1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903735453 643448541 /nfs/dbraw/zinc/44/85/41/643448541.db2.gz AGEQBMFRHCTTGP-QGZVFWFLSA-N 1 3 303.450 2.451 20 0 DEADHO C(OC1CCN(C[C@@H]2CCCC[NH2+]C2)CC1)[C@H]1CCCCO1 ZINC000903734914 643448716 /nfs/dbraw/zinc/44/87/16/643448716.db2.gz XKKGGBUYIQRPCA-SJLPKXTDSA-N 1 3 310.482 2.426 20 0 DEADHO Cc1nc(C(C)(C)NC[C@@H]2C[C@]3(CC[NH2+]C3)CO2)sc1C ZINC000903742169 643450386 /nfs/dbraw/zinc/45/03/86/643450386.db2.gz VMCSTQVEJBKOMT-BBRMVZONSA-N 1 3 309.479 2.353 20 0 DEADHO Cc1cc(C)nc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000903761381 643452603 /nfs/dbraw/zinc/45/26/03/643452603.db2.gz RADYJRRVWPXGFN-ZWKOTPCHSA-N 1 3 303.450 2.417 20 0 DEADHO Cc1nc(C2C[C@H]3CC[C@@H](C2)N3C[C@@H]2CCCC[NH2+]C2)no1 ZINC000903780650 643460355 /nfs/dbraw/zinc/46/03/55/643460355.db2.gz KPLWKHGEVPTEFZ-WZYMTQMTSA-N 1 3 304.438 2.478 20 0 DEADHO CC[C@@H]1CCCCN1C(=O)CN1CCC(C(C)(C)C[NH3+])CC1 ZINC000903789522 643463770 /nfs/dbraw/zinc/46/37/70/643463770.db2.gz WQYGNSIFLLEBGN-MRXNPFEDSA-N 1 3 309.498 2.474 20 0 DEADHO NC[C@]12CC[C@@H]1CC[N@@H+]2CCCc1nc(-c2ccccc2)no1 ZINC000903855487 643485558 /nfs/dbraw/zinc/48/55/58/643485558.db2.gz OHZANNYVVZOKTN-CRAIPNDOSA-N 1 3 312.417 2.482 20 0 DEADHO NC[C@]12CC[C@@H]1CC[N@H+]2CCCc1nc(-c2ccccc2)no1 ZINC000903855487 643485561 /nfs/dbraw/zinc/48/55/61/643485561.db2.gz OHZANNYVVZOKTN-CRAIPNDOSA-N 1 3 312.417 2.482 20 0 DEADHO Cc1c(C[C@H](C[NH3+])CN(C)C[C@H](C)c2nccs2)cnn1C ZINC000903902419 643502776 /nfs/dbraw/zinc/50/27/76/643502776.db2.gz GCUQMPYIUWOADO-GXTWGEPZSA-N 1 3 321.494 2.038 20 0 DEADHO Cc1c(C[C@@H](CN)C[NH2+]CCc2ccc(C)cc2C)cnn1C ZINC000903920838 643507672 /nfs/dbraw/zinc/50/76/72/643507672.db2.gz MIGGSCQOEKPEMB-KRWDZBQOSA-N 1 3 314.477 2.295 20 0 DEADHO Cc1c(C[C@@H](CN)C[NH2+][C@@H](C)Cc2cccs2)cnn1C ZINC000903922894 643509308 /nfs/dbraw/zinc/50/93/08/643509308.db2.gz HBBBYYHRLCONOP-JSGCOSHPSA-N 1 3 306.479 2.128 20 0 DEADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN[C@H]1C[C@H]1C1CCCCC1 ZINC000903927377 643511153 /nfs/dbraw/zinc/51/11/53/643511153.db2.gz RGDFBOLJDUEGJG-PVAVHDDUSA-N 1 3 303.454 2.261 20 0 DEADHO [NH3+][C@H]1C[C@@H](CN2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000904304282 643630574 /nfs/dbraw/zinc/63/05/74/643630574.db2.gz XXBXRRFKFFUYKE-BETUJISGSA-N 1 3 311.832 2.334 20 0 DEADHO COC(=O)c1ccc2c(c1)OCCN(C[C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC000904475386 643677962 /nfs/dbraw/zinc/67/79/62/643677962.db2.gz OJWAHJSNNYPSAO-ZIAGYGMSSA-N 1 3 318.417 2.056 20 0 DEADHO C[N@H+](CCCNC[C@@H](O)CC1(O)CCCC1)Cc1ccccc1 ZINC000905025928 643774663 /nfs/dbraw/zinc/77/46/63/643774663.db2.gz MHWHJEYXRHCNTC-SFHVURJKSA-N 1 3 320.477 2.154 20 0 DEADHO C[N@@H+](CCCNC[C@@H](O)CC1(O)CCCC1)Cc1ccccc1 ZINC000905025928 643774665 /nfs/dbraw/zinc/77/46/65/643774665.db2.gz MHWHJEYXRHCNTC-SFHVURJKSA-N 1 3 320.477 2.154 20 0 DEADHO CCCC[NH+]1CCC(NC[C@H](O)CC2(CO)CCCC2)CC1 ZINC000905104421 643790584 /nfs/dbraw/zinc/79/05/84/643790584.db2.gz GDTDKVUINZAPAS-QGZVFWFLSA-N 1 3 312.498 2.144 20 0 DEADHO C[N@@H+]1CC[C@]2(CCN(C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000795322750 644553648 /nfs/dbraw/zinc/55/36/48/644553648.db2.gz YJWXIGFQKWSJGV-YJBOKZPZSA-N 1 3 323.481 2.271 20 0 DEADHO C[N@H+]1CC[C@]2(CCN(C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000795322750 644553653 /nfs/dbraw/zinc/55/36/53/644553653.db2.gz YJWXIGFQKWSJGV-YJBOKZPZSA-N 1 3 323.481 2.271 20 0 DEADHO C[C@@](CN)([NH2+]Cc1cc(=O)oc2cc3c(cc12)CCC3)C1CC1 ZINC000843356100 650956586 /nfs/dbraw/zinc/95/65/86/650956586.db2.gz QOPKNXRKVYPDTP-IBGZPJMESA-N 1 3 312.413 2.499 20 0 DEADHO Cc1ccc(N2CC[C@H](N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)C2=O)cc1 ZINC000843367118 650959643 /nfs/dbraw/zinc/95/96/43/650959643.db2.gz AGWZUHKFRUVTPZ-HPBDAGMYSA-N 1 3 313.445 2.160 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(C[C@@H](O)c2ccc(F)cn2)CC1 ZINC000799301812 645152532 /nfs/dbraw/zinc/15/25/32/645152532.db2.gz ZQNAFZKCAMSMLB-QGZVFWFLSA-N 1 3 309.429 2.306 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(C[C@@H](O)c2ccc(F)cn2)CC1 ZINC000799301812 645152535 /nfs/dbraw/zinc/15/25/35/645152535.db2.gz ZQNAFZKCAMSMLB-QGZVFWFLSA-N 1 3 309.429 2.306 20 0 DEADHO O=C(Nc1cccc2c1CC[NH2+]C2)c1cccc2c1OCCNC2 ZINC000911790692 645829378 /nfs/dbraw/zinc/82/93/78/645829378.db2.gz SHKVDLSZVGQPJF-UHFFFAOYSA-N 1 3 323.396 2.067 20 0 DEADHO CCCN(C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[C@H]1CCN(C)C1 ZINC000843989387 651059786 /nfs/dbraw/zinc/05/97/86/651059786.db2.gz NSIQSKSRMHXFDW-YOEHRIQHSA-N 1 3 313.461 2.142 20 0 DEADHO CCCN(C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)[C@H]1CCN(C)C1 ZINC000843989387 651059788 /nfs/dbraw/zinc/05/97/88/651059788.db2.gz NSIQSKSRMHXFDW-YOEHRIQHSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810097205 646323996 /nfs/dbraw/zinc/32/39/96/646323996.db2.gz GGFGEGDXIKRKGF-YOEHRIQHSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810097205 646324000 /nfs/dbraw/zinc/32/40/00/646324000.db2.gz GGFGEGDXIKRKGF-YOEHRIQHSA-N 1 3 313.461 2.190 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)N(C)C ZINC000913428719 646351085 /nfs/dbraw/zinc/35/10/85/646351085.db2.gz DKYOSWLUIPWZLX-NJAFHUGGSA-N 1 3 317.477 2.211 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)N(C)C ZINC000913428719 646351089 /nfs/dbraw/zinc/35/10/89/646351089.db2.gz DKYOSWLUIPWZLX-NJAFHUGGSA-N 1 3 317.477 2.211 20 0 DEADHO CC(C)[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]21 ZINC000992714747 647194147 /nfs/dbraw/zinc/19/41/47/647194147.db2.gz RDLGWYWMNMNZFH-DJIMGWMZSA-N 1 3 307.482 2.096 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000817892952 647373833 /nfs/dbraw/zinc/37/38/33/647373833.db2.gz AGFNMXCDYKWZDM-RUGDWHBFSA-N 1 3 320.477 2.359 20 0 DEADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(N2CCCC2=O)cc1 ZINC000817897059 647375128 /nfs/dbraw/zinc/37/51/28/647375128.db2.gz CPHXGVAODXBDQZ-WMLDXEAASA-N 1 3 301.434 2.291 20 0 DEADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@]1(O)CCc2ccccc21 ZINC000817917245 647381384 /nfs/dbraw/zinc/38/13/84/647381384.db2.gz NNLSWARKKRJSRN-BEVDRBHNSA-N 1 3 310.441 2.369 20 0 DEADHO C[C@@H]([NH3+])C[C@H](C)NC[C@@H](O)c1cccc(Br)c1 ZINC000817928937 647383864 /nfs/dbraw/zinc/38/38/64/647383864.db2.gz INAXOMJFWCZDQM-GBIKHYSHSA-N 1 3 301.228 2.198 20 0 DEADHO CC(C)C[C@H](CN)[NH2+][C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000817958187 647393820 /nfs/dbraw/zinc/39/38/20/647393820.db2.gz INDRYDAWZMPHHR-QXAKKESOSA-N 1 3 319.493 2.239 20 0 DEADHO C[C@H](CC(=O)Nc1cccnc1Cl)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000817972276 647397949 /nfs/dbraw/zinc/39/79/49/647397949.db2.gz VVVQXILSNHPYQF-IJLUTSLNSA-N 1 3 310.829 2.040 20 0 DEADHO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H]1CCNC[C@H]1C ZINC000817972276 647397952 /nfs/dbraw/zinc/39/79/52/647397952.db2.gz VVVQXILSNHPYQF-IJLUTSLNSA-N 1 3 310.829 2.040 20 0 DEADHO COCC[N@H+](C)CCCNC[C@H](O)c1cccc2ccccc21 ZINC000818953862 647548918 /nfs/dbraw/zinc/54/89/18/647548918.db2.gz NYOLFWOCXRMEFV-IBGZPJMESA-N 1 3 316.445 2.431 20 0 DEADHO COCC[N@@H+](C)CCCNC[C@H](O)c1cccc2ccccc21 ZINC000818953862 647548920 /nfs/dbraw/zinc/54/89/20/647548920.db2.gz NYOLFWOCXRMEFV-IBGZPJMESA-N 1 3 316.445 2.431 20 0 DEADHO CN(C(=O)CN1CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000819976416 647754605 /nfs/dbraw/zinc/75/46/05/647754605.db2.gz CXEPDHNCXXEBHE-UHFFFAOYSA-N 1 3 315.461 2.205 20 0 DEADHO CC(C)N1C[C@H](N[C@@H](C)c2cccc(C[NH+](C)C)c2)CC1=O ZINC000925453763 648084205 /nfs/dbraw/zinc/08/42/05/648084205.db2.gz MVCMUCPQJSFFHG-WMLDXEAASA-N 1 3 303.450 2.408 20 0 DEADHO C[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCC2)C1)N1CCCCCC1 ZINC001015796284 648209157 /nfs/dbraw/zinc/20/91/57/648209157.db2.gz WSFNQGJKHCDOGV-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCC2)C1)N1CCCCCC1 ZINC001015796284 648209160 /nfs/dbraw/zinc/20/91/60/648209160.db2.gz WSFNQGJKHCDOGV-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CCN1C ZINC000921222865 648281545 /nfs/dbraw/zinc/28/15/45/648281545.db2.gz WCRPBVJUKYOIMJ-RHSMWYFYSA-N 1 3 322.497 2.175 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000825340186 648744917 /nfs/dbraw/zinc/74/49/17/648744917.db2.gz BBGNLZPFSREHRV-RDJZCZTQSA-N 1 3 307.482 2.382 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000825340186 648744919 /nfs/dbraw/zinc/74/49/19/648744919.db2.gz BBGNLZPFSREHRV-RDJZCZTQSA-N 1 3 307.482 2.382 20 0 DEADHO CC(C)(CNC(=O)C[C@H]([NH3+])C1CC1)N1CCc2ccccc2C1 ZINC000826816869 648931113 /nfs/dbraw/zinc/93/11/13/648931113.db2.gz KRPWOHXFLJBMIY-KRWDZBQOSA-N 1 3 315.461 2.067 20 0 DEADHO CC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000945029577 649600568 /nfs/dbraw/zinc/60/05/68/649600568.db2.gz TYNGPUFYAUFUAZ-PBHICJAKSA-N 1 3 303.450 2.208 20 0 DEADHO CC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000945029577 649600570 /nfs/dbraw/zinc/60/05/70/649600570.db2.gz TYNGPUFYAUFUAZ-PBHICJAKSA-N 1 3 303.450 2.208 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N(C)C2CCC([NH3+])CC2)cc(Cl)n1 ZINC000832829380 649752174 /nfs/dbraw/zinc/75/21/74/649752174.db2.gz UEYAAUFURNQABL-JXQTWKCFSA-N 1 3 324.856 2.162 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnc(Cl)n2C)C[C@H](C)O1 ZINC000848537702 651468594 /nfs/dbraw/zinc/46/85/94/651468594.db2.gz MAWPBQYDHCMSSP-BETUJISGSA-N 1 3 314.861 2.053 20 0 DEADHO [NH3+][C@H]1CCC[C@H](NC[C@H](O)c2cccc(Br)c2)C1 ZINC000848719854 651497642 /nfs/dbraw/zinc/49/76/42/651497642.db2.gz FQHRAVNTUHEEJB-IHRRRGAJSA-N 1 3 313.239 2.342 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC[C@@]1(C)C[C@]1(F)Cl ZINC000849047706 651594830 /nfs/dbraw/zinc/59/48/30/651594830.db2.gz SNCVEHZGSQPZQJ-KWCYVHTRSA-N 1 3 304.841 2.289 20 0 DEADHO CN1CCC[C@@H]1CNC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857044048 652038482 /nfs/dbraw/zinc/03/84/82/652038482.db2.gz HIAIYQOBVZOCQW-QZTJIDSGSA-N 1 3 315.461 2.320 20 0 DEADHO CN1CCC[C@@H]1CNC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857044048 652038486 /nfs/dbraw/zinc/03/84/86/652038486.db2.gz HIAIYQOBVZOCQW-QZTJIDSGSA-N 1 3 315.461 2.320 20 0 DEADHO O=C(C[C@H]1NCc2ccccc21)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000851636814 652194555 /nfs/dbraw/zinc/19/45/55/652194555.db2.gz STSCDPXTWPAOBY-MOPGFXCFSA-N 1 3 321.424 2.224 20 0 DEADHO COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H]2CCN(C)C(C)(C)C2)c1 ZINC000858092219 652252610 /nfs/dbraw/zinc/25/26/10/652252610.db2.gz ACILMCYRSGJKHR-CJNGLKHVSA-N 1 3 322.449 2.200 20 0 DEADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000851834290 652254279 /nfs/dbraw/zinc/25/42/79/652254279.db2.gz PVFKJJIVXRDTBB-IPMKNSEASA-N 1 3 320.477 2.276 20 0 DEADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000851834290 652254282 /nfs/dbraw/zinc/25/42/82/652254282.db2.gz PVFKJJIVXRDTBB-IPMKNSEASA-N 1 3 320.477 2.276 20 0 DEADHO C[N@@H+]1CC[C@H](N[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000858135724 652262768 /nfs/dbraw/zinc/26/27/68/652262768.db2.gz AJTMAWIPCDJZEH-KBPBESRZSA-N 1 3 311.470 2.458 20 0 DEADHO C[N@H+]1CC[C@H](N[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000858135724 652262773 /nfs/dbraw/zinc/26/27/73/652262773.db2.gz AJTMAWIPCDJZEH-KBPBESRZSA-N 1 3 311.470 2.458 20 0 DEADHO CCCCCCNC(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000852753752 652450497 /nfs/dbraw/zinc/45/04/97/652450497.db2.gz HTBVXZCRAGLDGT-KRWDZBQOSA-N 1 3 309.498 2.395 20 0 DEADHO C([NH2+]C1CCC2(CC1)OCCO2)[C@H]1CCCN(CC2CC2)C1 ZINC000853240689 652528522 /nfs/dbraw/zinc/52/85/22/652528522.db2.gz RDDKIKNLIHERDS-MRXNPFEDSA-N 1 3 308.466 2.384 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@]1(C)CCC[N@H+](CCC)C1 ZINC001393210464 1157765765 /nfs/dbraw/zinc/76/57/65/1157765765.db2.gz XHZFHOAMGZSXQE-AEFFLSMTSA-N 1 3 309.498 2.489 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@]1(C)CCC[N@@H+](CCC)C1 ZINC001393210464 1157765776 /nfs/dbraw/zinc/76/57/76/1157765776.db2.gz XHZFHOAMGZSXQE-AEFFLSMTSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@H]1[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCN1C ZINC000928440838 693779377 /nfs/dbraw/zinc/77/93/77/693779377.db2.gz LVORDLPDJTVSHK-CRAIPNDOSA-N 1 3 315.461 2.495 20 0 DEADHO C[NH+]1CCC(NC[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000037887382 683884870 /nfs/dbraw/zinc/88/48/70/683884870.db2.gz NMVMTCALLASLQR-AWEZNQCLSA-N 1 3 302.340 2.423 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000074102273 683929315 /nfs/dbraw/zinc/92/93/15/683929315.db2.gz UMEKESHKJGZRPA-WMZOPIPTSA-N 1 3 315.461 2.204 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000074102273 683929317 /nfs/dbraw/zinc/92/93/17/683929317.db2.gz UMEKESHKJGZRPA-WMZOPIPTSA-N 1 3 315.461 2.204 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CC)C2)C1 ZINC001054141869 693860653 /nfs/dbraw/zinc/86/06/53/693860653.db2.gz QIGJKMIXGKMIJJ-WMZOPIPTSA-N 1 3 307.482 2.195 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CC)C2)C1 ZINC001054141869 693860656 /nfs/dbraw/zinc/86/06/56/693860656.db2.gz QIGJKMIXGKMIJJ-WMZOPIPTSA-N 1 3 307.482 2.195 20 0 DEADHO CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001054198515 693878567 /nfs/dbraw/zinc/87/85/67/693878567.db2.gz YVGYTWNPQBVRSW-IEBWSBKVSA-N 1 3 321.509 2.443 20 0 DEADHO CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001054198515 693878571 /nfs/dbraw/zinc/87/85/71/693878571.db2.gz YVGYTWNPQBVRSW-IEBWSBKVSA-N 1 3 321.509 2.443 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](CCC3CC3)C2)C1)N(C)C ZINC001054198711 693878602 /nfs/dbraw/zinc/87/86/02/693878602.db2.gz DXUMIQJBOOZMFC-HKUYNNGSSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1)N(C)C ZINC001054198711 693878607 /nfs/dbraw/zinc/87/86/07/693878607.db2.gz DXUMIQJBOOZMFC-HKUYNNGSSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](CC3CC3)C2)C1)N(C)C ZINC001054199274 693879058 /nfs/dbraw/zinc/87/90/58/693879058.db2.gz RPTUIUZTBDXCMF-FUHWJXTLSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@]2(CC[N@@H+](CC3CC3)C2)C1)N(C)C ZINC001054199274 693879060 /nfs/dbraw/zinc/87/90/60/693879060.db2.gz RPTUIUZTBDXCMF-FUHWJXTLSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001054198151 693880082 /nfs/dbraw/zinc/88/00/82/693880082.db2.gz QWVQXOGCKIMKOR-MJGOQNOKSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001054198151 693880086 /nfs/dbraw/zinc/88/00/86/693880086.db2.gz QWVQXOGCKIMKOR-MJGOQNOKSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]Cc1ccsc1 ZINC001054738513 694036110 /nfs/dbraw/zinc/03/61/10/694036110.db2.gz QRHYTYKKAOASCU-UKRRQHHQSA-N 1 3 321.490 2.169 20 0 DEADHO CC(=O)NCCCCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000930059675 694080061 /nfs/dbraw/zinc/08/00/61/694080061.db2.gz BLKBNDWICKHPJK-WMZOPIPTSA-N 1 3 307.482 2.242 20 0 DEADHO CC(=O)NCCCCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000930059675 694080066 /nfs/dbraw/zinc/08/00/66/694080066.db2.gz BLKBNDWICKHPJK-WMZOPIPTSA-N 1 3 307.482 2.242 20 0 DEADHO CC(=O)NCCCCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000930059674 694081091 /nfs/dbraw/zinc/08/10/91/694081091.db2.gz BLKBNDWICKHPJK-SJLPKXTDSA-N 1 3 307.482 2.242 20 0 DEADHO CC(=O)NCCCCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000930059674 694081095 /nfs/dbraw/zinc/08/10/95/694081095.db2.gz BLKBNDWICKHPJK-SJLPKXTDSA-N 1 3 307.482 2.242 20 0 DEADHO CC(=O)NCC1CCC([NH2+]C[C@H](C)CN2CCCCC2)CC1 ZINC000865419697 687204885 /nfs/dbraw/zinc/20/48/85/687204885.db2.gz XSKMVDCQASHETE-ZLPCBKJTSA-N 1 3 309.498 2.393 20 0 DEADHO CCCn1cc(CNCC2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000865517203 687244047 /nfs/dbraw/zinc/24/40/47/687244047.db2.gz ADTHGBUQZMJSDL-UHFFFAOYSA-N 1 3 314.437 2.089 20 0 DEADHO NCCC[N@H+](CCc1ccc(C(N)=O)cc1)CC1CCCC1 ZINC000866664435 687645792 /nfs/dbraw/zinc/64/57/92/687645792.db2.gz CQKAALNGDYSRFO-UHFFFAOYSA-N 1 3 303.450 2.169 20 0 DEADHO NCCC[N@@H+](CCc1ccc(C(N)=O)cc1)CC1CCCC1 ZINC000866664435 687645797 /nfs/dbraw/zinc/64/57/97/687645797.db2.gz CQKAALNGDYSRFO-UHFFFAOYSA-N 1 3 303.450 2.169 20 0 DEADHO CC(C)=CC[NH+]1CCC2(C[C@H]2NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001016830815 687712805 /nfs/dbraw/zinc/71/28/05/687712805.db2.gz WIYBAUARPKRPRH-DLBZAZTESA-N 1 3 319.493 2.408 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000930335978 694139897 /nfs/dbraw/zinc/13/98/97/694139897.db2.gz DEOSRNMXRZBGOF-ZWKOTPCHSA-N 1 3 317.477 2.148 20 0 DEADHO CC1(C)[C@H]([NH3+])c2ccccc2N1C(=O)C1(N)Cc2ccccc2C1 ZINC000867986245 687862242 /nfs/dbraw/zinc/86/22/42/687862242.db2.gz AJJHQQGBLPLEEB-QGZVFWFLSA-N 1 3 321.424 2.308 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001018971667 688264238 /nfs/dbraw/zinc/26/42/38/688264238.db2.gz NEDBLDXCNHVYCD-KRWDZBQOSA-N 1 3 315.461 2.170 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001019384207 688344410 /nfs/dbraw/zinc/34/44/10/688344410.db2.gz WXSJLIRPEQRFPH-WBVHZDCISA-N 1 3 307.482 2.099 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1)N(C)C ZINC001019394470 688345676 /nfs/dbraw/zinc/34/56/76/688345676.db2.gz HYHPLTSSLJZPGL-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2CC2)C1 ZINC001019468520 688362373 /nfs/dbraw/zinc/36/23/73/688362373.db2.gz YQQXJVHYRLYYAL-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO CC[C@H](C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1)N(C)C ZINC000870190526 688507429 /nfs/dbraw/zinc/50/74/29/688507429.db2.gz QHVLTMKQISOIRQ-QGZVFWFLSA-N 1 3 317.477 2.106 20 0 DEADHO CCC1([NH+]2CCCC2)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000870271653 688528270 /nfs/dbraw/zinc/52/82/70/688528270.db2.gz ZLJNNUKBAGFWCU-UHFFFAOYSA-N 1 3 307.482 2.338 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CC[N@H+](CCCF)C2)c1 ZINC001029000127 688548085 /nfs/dbraw/zinc/54/80/85/688548085.db2.gz AHLCRFRUNBZTDF-INIZCTEOSA-N 1 3 321.440 2.160 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+](CCCF)C2)c1 ZINC001029000127 688548087 /nfs/dbraw/zinc/54/80/87/688548087.db2.gz AHLCRFRUNBZTDF-INIZCTEOSA-N 1 3 321.440 2.160 20 0 DEADHO CCC[N@@H+]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029000800 688548133 /nfs/dbraw/zinc/54/81/33/688548133.db2.gz KBLQYVQVQCUZAE-MRXNPFEDSA-N 1 3 303.450 2.210 20 0 DEADHO CCC[N@H+]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029000800 688548134 /nfs/dbraw/zinc/54/81/34/688548134.db2.gz KBLQYVQVQCUZAE-MRXNPFEDSA-N 1 3 303.450 2.210 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CCCC2)C1 ZINC001029674682 688564543 /nfs/dbraw/zinc/56/45/43/688564543.db2.gz IJRICZJULMUACK-IAGOWNOFSA-N 1 3 307.482 2.051 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001029674682 688564546 /nfs/dbraw/zinc/56/45/46/688564546.db2.gz IJRICZJULMUACK-IAGOWNOFSA-N 1 3 307.482 2.051 20 0 DEADHO CN(CCCCCC[NH3+])CC(=O)N1CCc2sccc2C1 ZINC000872154992 688939356 /nfs/dbraw/zinc/93/93/56/688939356.db2.gz JBRDSNNMCFSBRU-UHFFFAOYSA-N 1 3 309.479 2.084 20 0 DEADHO C[C@H]([NH2+]C[C@@H](O)CC(C)(C)O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000872205335 688951932 /nfs/dbraw/zinc/95/19/32/688951932.db2.gz BRXSXAJIPIULKH-JQHSSLGASA-N 1 3 320.477 2.009 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCC1C[NH+](CC2CC(C)(C)C2)C1 ZINC001031714732 688984632 /nfs/dbraw/zinc/98/46/32/688984632.db2.gz LNPVFXKWADIFHX-QGZVFWFLSA-N 1 3 321.509 2.345 20 0 DEADHO CCN1CCN(C[C@H](C)CNc2cc[nH+]cc2C2CC2)CC1 ZINC000872416115 688996237 /nfs/dbraw/zinc/99/62/37/688996237.db2.gz SOYAYLMMJLSUEW-OAHLLOKOSA-N 1 3 302.466 2.066 20 0 DEADHO CC(C)CC[NH+]1CC(CNC(=O)c2ccccc2CN(C)C)C1 ZINC001032205263 689083026 /nfs/dbraw/zinc/08/30/26/689083026.db2.gz TWIORELZZLQMCT-UHFFFAOYSA-N 1 3 317.477 2.456 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC2CCC2)C1 ZINC001032442844 689152375 /nfs/dbraw/zinc/15/23/75/689152375.db2.gz FNJNVVITFKJRHW-BZSNNMDCSA-N 1 3 319.493 2.050 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC2CCC2)C1 ZINC001032442844 689152378 /nfs/dbraw/zinc/15/23/78/689152378.db2.gz FNJNVVITFKJRHW-BZSNNMDCSA-N 1 3 319.493 2.050 20 0 DEADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001032456865 689156353 /nfs/dbraw/zinc/15/63/53/689156353.db2.gz XJCTZEQYHJQHAD-ULQDDVLXSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001032456865 689156356 /nfs/dbraw/zinc/15/63/56/689156356.db2.gz XJCTZEQYHJQHAD-ULQDDVLXSA-N 1 3 307.482 2.192 20 0 DEADHO CC[C@@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)c1ccncc1 ZINC000873242429 689191942 /nfs/dbraw/zinc/19/19/42/689191942.db2.gz BNKHVDWZIYJKBI-GOSISDBHSA-N 1 3 322.416 2.362 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC2CCC2)C1 ZINC001032581074 689193602 /nfs/dbraw/zinc/19/36/02/689193602.db2.gz HSPFVMBUYVRRLE-BZSNNMDCSA-N 1 3 319.493 2.194 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC2CCC2)C1 ZINC001032581074 689193605 /nfs/dbraw/zinc/19/36/05/689193605.db2.gz HSPFVMBUYVRRLE-BZSNNMDCSA-N 1 3 319.493 2.194 20 0 DEADHO CCc1cccnc1[C@@H](C)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290560 689203185 /nfs/dbraw/zinc/20/31/85/689203185.db2.gz ACRSVJAAXJLHEL-GDBMZVCRSA-N 1 3 303.450 2.453 20 0 DEADHO C[C@@H](F)CC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)N2CCCC2)C1 ZINC001033319372 689460677 /nfs/dbraw/zinc/46/06/77/689460677.db2.gz PSJGRFCYVXEUCL-CABCVRRESA-N 1 3 313.461 2.142 20 0 DEADHO C[C@@H](F)CC[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)N2CCCC2)C1 ZINC001033319372 689460678 /nfs/dbraw/zinc/46/06/78/689460678.db2.gz PSJGRFCYVXEUCL-CABCVRRESA-N 1 3 313.461 2.142 20 0 DEADHO CCCCN(CCn1cnnn1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033908 694298639 /nfs/dbraw/zinc/29/86/39/694298639.db2.gz MFWNQOIZFYDNAB-UHFFFAOYSA-N 1 3 308.474 2.084 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1F ZINC001034882538 689977852 /nfs/dbraw/zinc/97/78/52/689977852.db2.gz YEWZSHQJAMUMGB-WBVHZDCISA-N 1 3 319.424 2.001 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCC1)N(C)C ZINC001034965536 689999926 /nfs/dbraw/zinc/99/99/26/689999926.db2.gz JHDWSUTXXXDMRL-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CC1(C[NH3+])CC1 ZINC000877030670 690002196 /nfs/dbraw/zinc/00/21/96/690002196.db2.gz KCMUBICFXNCKCZ-NVXWUHKLSA-N 1 3 313.445 2.258 20 0 DEADHO CC(C)[N@@H+]1CCC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001035194020 690056382 /nfs/dbraw/zinc/05/63/82/690056382.db2.gz STDQXZQDMOPUCV-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[N@H+]1CCC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001035194020 690056384 /nfs/dbraw/zinc/05/63/84/690056384.db2.gz STDQXZQDMOPUCV-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)=CCN1CC2(C1)CCN(C(=O)C[N@H+]1CC[C@H](C)C1)CC2 ZINC001035796375 690178768 /nfs/dbraw/zinc/17/87/68/690178768.db2.gz AUKAQZOBZCJSMT-KRWDZBQOSA-N 1 3 319.493 2.219 20 0 DEADHO CC(C)=CCN1CC2(C1)CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)CC2 ZINC001035796375 690178771 /nfs/dbraw/zinc/17/87/71/690178771.db2.gz AUKAQZOBZCJSMT-KRWDZBQOSA-N 1 3 319.493 2.219 20 0 DEADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)CC2 ZINC001035795746 690179102 /nfs/dbraw/zinc/17/91/02/690179102.db2.gz YOCXKZRUJYLEII-DLBZAZTESA-N 1 3 319.493 2.075 20 0 DEADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)CC2 ZINC001035795746 690179105 /nfs/dbraw/zinc/17/91/05/690179105.db2.gz YOCXKZRUJYLEII-DLBZAZTESA-N 1 3 319.493 2.075 20 0 DEADHO COc1ccc(C)cc1C[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000877747618 690214015 /nfs/dbraw/zinc/21/40/15/690214015.db2.gz UMLNNWUBGUHXFY-UHFFFAOYSA-N 1 3 317.477 2.215 20 0 DEADHO CCOc1cccc(C[NH+]2CCC(N3CCN(C)CC3)CC2)c1 ZINC000877748053 690214697 /nfs/dbraw/zinc/21/46/97/690214697.db2.gz OKRHJYWEZKXEAF-UHFFFAOYSA-N 1 3 317.477 2.297 20 0 DEADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@H]1[NH2+]CC1CC1 ZINC001036027649 690239010 /nfs/dbraw/zinc/23/90/10/690239010.db2.gz IUPOERXWLBQUJV-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CC1CCCC1 ZINC001036052570 690247512 /nfs/dbraw/zinc/24/75/12/690247512.db2.gz AZMJDQOEMBDPOD-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CCC1CC1 ZINC001036055528 690248030 /nfs/dbraw/zinc/24/80/30/690248030.db2.gz PVTSLANTYQGUPH-HOCLYGCPSA-N 1 3 307.482 2.097 20 0 DEADHO CN(CCCCc1ccccc1)CC(=O)NC1CC[NH+](C)CC1 ZINC000877971929 690274490 /nfs/dbraw/zinc/27/44/90/690274490.db2.gz UERYLSPKIWJRCV-UHFFFAOYSA-N 1 3 317.477 2.152 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)CC[C@H]21 ZINC001036736809 690452927 /nfs/dbraw/zinc/45/29/27/690452927.db2.gz GYWFUUFWJOLQGE-SJLPKXTDSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)CC[C@H]21 ZINC001036736809 690452931 /nfs/dbraw/zinc/45/29/31/690452931.db2.gz GYWFUUFWJOLQGE-SJLPKXTDSA-N 1 3 321.509 2.440 20 0 DEADHO C[NH+]1CCC2(CCN([C@@H]3CCN(C(C)(C)C)C3=O)CC2)CC1 ZINC000879251335 690603142 /nfs/dbraw/zinc/60/31/42/690603142.db2.gz UCECIBGUHZPABK-OAHLLOKOSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@H]1CC ZINC001037924702 690641197 /nfs/dbraw/zinc/64/11/97/690641197.db2.gz AWKHNSCIYUDTOH-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO OC(CN1C[C@@H]2CC=CC[C@@H]2C1)C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879530668 690664200 /nfs/dbraw/zinc/66/42/00/690664200.db2.gz WFISLTLGDWQEFP-USTZCAOPSA-N 1 3 302.462 2.143 20 0 DEADHO OC(CN1C[C@@H]2CC=CC[C@@H]2C1)C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879530668 690664203 /nfs/dbraw/zinc/66/42/03/690664203.db2.gz WFISLTLGDWQEFP-USTZCAOPSA-N 1 3 302.462 2.143 20 0 DEADHO CN1CCN(C2CC[NH+](CCc3ccc(F)c(F)c3)CC2)CC1 ZINC000879592745 690683093 /nfs/dbraw/zinc/68/30/93/690683093.db2.gz PFTWYMZFULLLDQ-UHFFFAOYSA-N 1 3 323.431 2.219 20 0 DEADHO CN1CCN(C2CC[NH+](CC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000879594382 690683167 /nfs/dbraw/zinc/68/31/67/690683167.db2.gz HEKTXMDMUPUXLY-ZDUSSCGKSA-N 1 3 320.308 2.282 20 0 DEADHO CCCCN1CC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038556858 690856752 /nfs/dbraw/zinc/85/67/52/690856752.db2.gz SOLJYKZDIIBMDO-KRWDZBQOSA-N 1 3 317.477 2.395 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCN2CCC(C)C)C1 ZINC001038625152 690879820 /nfs/dbraw/zinc/87/98/20/690879820.db2.gz RGRQQHXZURQQCP-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCN2CCC(C)C)C1 ZINC001038625152 690879824 /nfs/dbraw/zinc/87/98/24/690879824.db2.gz RGRQQHXZURQQCP-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CC1(N2CCC2)CC[NH+](C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000880474972 690906807 /nfs/dbraw/zinc/90/68/07/690906807.db2.gz PZAUQWWYDKJWNY-KRWDZBQOSA-N 1 3 306.425 2.289 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCN2CCC2CCCCC2)C1 ZINC001039027668 690997352 /nfs/dbraw/zinc/99/73/52/690997352.db2.gz KJEPJOCVIGVXEL-IAGOWNOFSA-N 1 3 307.482 2.099 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCN2CCC2CCCCC2)C1 ZINC001039027668 690997356 /nfs/dbraw/zinc/99/73/56/690997356.db2.gz KJEPJOCVIGVXEL-IAGOWNOFSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001039112358 691022632 /nfs/dbraw/zinc/02/26/32/691022632.db2.gz FFGHHZRHNMETJL-IAGOWNOFSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001039112358 691022633 /nfs/dbraw/zinc/02/26/33/691022633.db2.gz FFGHHZRHNMETJL-IAGOWNOFSA-N 1 3 307.482 2.050 20 0 DEADHO CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001039160996 691035999 /nfs/dbraw/zinc/03/59/99/691035999.db2.gz FYXGESSGODSQFR-INIZCTEOSA-N 1 3 318.465 2.313 20 0 DEADHO CCCC[N@H+]1CC[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001039160996 691036001 /nfs/dbraw/zinc/03/60/01/691036001.db2.gz FYXGESSGODSQFR-INIZCTEOSA-N 1 3 318.465 2.313 20 0 DEADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039914589 691163155 /nfs/dbraw/zinc/16/31/55/691163155.db2.gz UTPMATDIXUCPQO-BGTYHANMSA-N 1 3 319.493 2.050 20 0 DEADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039914589 691163159 /nfs/dbraw/zinc/16/31/59/691163159.db2.gz UTPMATDIXUCPQO-BGTYHANMSA-N 1 3 319.493 2.050 20 0 DEADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001039914753 691163225 /nfs/dbraw/zinc/16/32/25/691163225.db2.gz YXXAVWLTTPKFNT-BGTYHANMSA-N 1 3 319.493 2.050 20 0 DEADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001039914753 691163228 /nfs/dbraw/zinc/16/32/28/691163228.db2.gz YXXAVWLTTPKFNT-BGTYHANMSA-N 1 3 319.493 2.050 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC1CC1)C2)N(C)C ZINC001040260358 691221997 /nfs/dbraw/zinc/22/19/97/691221997.db2.gz CNTQXKCPAMRETK-MJGOQNOKSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC1CC1)C2)N(C)C ZINC001040260358 691222000 /nfs/dbraw/zinc/22/20/00/691222000.db2.gz CNTQXKCPAMRETK-MJGOQNOKSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC)C2 ZINC001040545426 691264002 /nfs/dbraw/zinc/26/40/02/691264002.db2.gz PUGPZODBJBEPBF-WMZOPIPTSA-N 1 3 307.482 2.195 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC)C2 ZINC001040545426 691264006 /nfs/dbraw/zinc/26/40/06/691264006.db2.gz PUGPZODBJBEPBF-WMZOPIPTSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[NH+]1CCC2(CCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001040729052 691282813 /nfs/dbraw/zinc/28/28/13/691282813.db2.gz AAJAAFPUGLATLZ-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)[NH+]1CCC2(CCN(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001040849435 691292643 /nfs/dbraw/zinc/29/26/43/691292643.db2.gz RIPLKUKZLJLLDA-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041356183 691366524 /nfs/dbraw/zinc/36/65/24/691366524.db2.gz UPDDKDWGTWXESN-QGZVFWFLSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)C[N@H+]1CC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041356183 691366527 /nfs/dbraw/zinc/36/65/27/691366527.db2.gz UPDDKDWGTWXESN-QGZVFWFLSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041358768 691366814 /nfs/dbraw/zinc/36/68/14/691366814.db2.gz QTUSOVCOSYYZPA-VQIMIIECSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C)C[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041358768 691366818 /nfs/dbraw/zinc/36/68/18/691366818.db2.gz QTUSOVCOSYYZPA-VQIMIIECSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CCC3CC3)C2)C1)C1CC1 ZINC001041359133 691367266 /nfs/dbraw/zinc/36/72/66/691367266.db2.gz SCEMBPMVACSHNZ-PKOBYXMFSA-N 1 3 319.493 2.051 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1)C1CC1 ZINC001041359133 691367267 /nfs/dbraw/zinc/36/72/67/691367267.db2.gz SCEMBPMVACSHNZ-PKOBYXMFSA-N 1 3 319.493 2.051 20 0 DEADHO CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041356663 691367445 /nfs/dbraw/zinc/36/74/45/691367445.db2.gz ARBPKYOIJOOWPH-GOSISDBHSA-N 1 3 307.482 2.195 20 0 DEADHO CCCC[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041356663 691367450 /nfs/dbraw/zinc/36/74/50/691367450.db2.gz ARBPKYOIJOOWPH-GOSISDBHSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001041644839 691405015 /nfs/dbraw/zinc/40/50/15/691405015.db2.gz HNANLSPSCLIBPA-MJGOQNOKSA-N 1 3 321.509 2.463 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001041644839 691405016 /nfs/dbraw/zinc/40/50/16/691405016.db2.gz HNANLSPSCLIBPA-MJGOQNOKSA-N 1 3 321.509 2.463 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001041679051 691409805 /nfs/dbraw/zinc/40/98/05/691409805.db2.gz KGKIWHFQBWVHID-HKUYNNGSSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)CC[N@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001041679051 691409807 /nfs/dbraw/zinc/40/98/07/691409807.db2.gz KGKIWHFQBWVHID-HKUYNNGSSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000884178034 691675133 /nfs/dbraw/zinc/67/51/33/691675133.db2.gz BADPUXNGXJOCSY-IAGOWNOFSA-N 1 3 319.493 2.285 20 0 DEADHO C[NH+](C)CCCOc1cccc(NC(=O)[C@@H](N)CC2CC2)c1 ZINC000884220100 691685284 /nfs/dbraw/zinc/68/52/84/691685284.db2.gz GGYIKFFIYZGQEQ-INIZCTEOSA-N 1 3 305.422 2.083 20 0 DEADHO CC(C)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H](C)C1 ZINC001044742222 691880928 /nfs/dbraw/zinc/88/09/28/691880928.db2.gz HCIMWFXLGAMCDH-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccsc1)C1CC1 ZINC001045067257 691934946 /nfs/dbraw/zinc/93/49/46/691934946.db2.gz ISZHTMLOUMRIRI-HOTGVXAUSA-N 1 3 321.490 2.169 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1csc(C)c1)N(C)C ZINC001045089406 691936704 /nfs/dbraw/zinc/93/67/04/691936704.db2.gz HVGWBYZRBPXHEE-JKSUJKDBSA-N 1 3 323.506 2.477 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@H]1C[NH2+]CC1CC1 ZINC001045321253 691963035 /nfs/dbraw/zinc/96/30/35/691963035.db2.gz IWCSRVKVWCXKSN-KRWDZBQOSA-N 1 3 315.461 2.352 20 0 DEADHO CC(C)(C[NH2+][C@H]1CCOC2(CCOCC2)C1)CN1CCCC1 ZINC000886089605 692001264 /nfs/dbraw/zinc/00/12/64/692001264.db2.gz FNUXBEQIBBJYNT-INIZCTEOSA-N 1 3 310.482 2.426 20 0 DEADHO OC[C@H](C[C@H]1CCCO1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000886224026 692028899 /nfs/dbraw/zinc/02/88/99/692028899.db2.gz UQRQBQAXDMBJIE-FUHWJXTLSA-N 1 3 310.482 2.303 20 0 DEADHO OC[C@H](C[C@H]1CCCO1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000886224026 692028902 /nfs/dbraw/zinc/02/89/02/692028902.db2.gz UQRQBQAXDMBJIE-FUHWJXTLSA-N 1 3 310.482 2.303 20 0 DEADHO CC(C)[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001045967632 692064485 /nfs/dbraw/zinc/06/44/85/692064485.db2.gz YXFYIRJFEULYEK-PKOBYXMFSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001045967632 692064486 /nfs/dbraw/zinc/06/44/86/692064486.db2.gz YXFYIRJFEULYEK-PKOBYXMFSA-N 1 3 321.509 2.441 20 0 DEADHO CCC1(N2CCC2)CC[NH+](CCCC(=O)NCC(C)C)CC1 ZINC000886718422 692171301 /nfs/dbraw/zinc/17/13/01/692171301.db2.gz ZLOGGJFBGFQVHZ-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO C([C@@H]1CC2(CO1)CCOCC2)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874775 692217542 /nfs/dbraw/zinc/21/75/42/692217542.db2.gz WOLFIFAKOMDBKV-FUHWJXTLSA-N 1 3 308.466 2.038 20 0 DEADHO CC(C)[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001046854580 692317757 /nfs/dbraw/zinc/31/77/57/692317757.db2.gz LCVBUHPJZJTHHP-GOSISDBHSA-N 1 3 303.450 2.351 20 0 DEADHO CC(C)[N@H+]1CC[C@@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001046854580 692317760 /nfs/dbraw/zinc/31/77/60/692317760.db2.gz LCVBUHPJZJTHHP-GOSISDBHSA-N 1 3 303.450 2.351 20 0 DEADHO C[C@@H]([NH2+]CC1CCC1)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001048005120 692531340 /nfs/dbraw/zinc/53/13/40/692531340.db2.gz ABLFBBOGEZQCJC-SJLPKXTDSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]([NH2+]Cc1ccccc1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048056846 692539772 /nfs/dbraw/zinc/53/97/72/692539772.db2.gz BIDOYGUAHMCJTM-SJLPKXTDSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C[NH2+]CC1CC1 ZINC001048256644 692584568 /nfs/dbraw/zinc/58/45/68/692584568.db2.gz PDKGNDFHWJQVOB-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CC1CCCC1 ZINC001048279227 692590000 /nfs/dbraw/zinc/59/00/00/692590000.db2.gz HSWHPLGYEYLNIM-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]CC1CCC1 ZINC001048387778 692610449 /nfs/dbraw/zinc/61/04/49/692610449.db2.gz SERAYNDLVMBGIJ-DOTOQJQBSA-N 1 3 321.509 2.203 20 0 DEADHO C[C@@]1(C2CC[NH+](CCCN3CCCCC3)CC2)COC(=O)N1 ZINC000932099291 694545944 /nfs/dbraw/zinc/54/59/44/694545944.db2.gz SDUCKOKLCROCKP-KRWDZBQOSA-N 1 3 309.454 2.073 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@@H]2C1)N(C)C ZINC001049064355 692755262 /nfs/dbraw/zinc/75/52/62/692755262.db2.gz DSLSSTWWDUNRRV-XHSDSOJGSA-N 1 3 309.498 2.153 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCC(C)(C)C)C[C@@H]2C1)N(C)C ZINC001049064355 692755264 /nfs/dbraw/zinc/75/52/64/692755264.db2.gz DSLSSTWWDUNRRV-XHSDSOJGSA-N 1 3 309.498 2.153 20 0 DEADHO CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049628755 692944844 /nfs/dbraw/zinc/94/48/44/692944844.db2.gz IOCFVIWCSYSYPJ-HOTGVXAUSA-N 1 3 307.482 2.336 20 0 DEADHO CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049628755 692944847 /nfs/dbraw/zinc/94/48/47/692944847.db2.gz IOCFVIWCSYSYPJ-HOTGVXAUSA-N 1 3 307.482 2.336 20 0 DEADHO CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CC1)N1CCCC1 ZINC001049640218 692949428 /nfs/dbraw/zinc/94/94/28/692949428.db2.gz TZOGVLQYFYOCRI-SJORKVTESA-N 1 3 319.493 2.336 20 0 DEADHO CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CC1)N1CCCC1 ZINC001049640218 692949432 /nfs/dbraw/zinc/94/94/32/692949432.db2.gz TZOGVLQYFYOCRI-SJORKVTESA-N 1 3 319.493 2.336 20 0 DEADHO C[C@H](NCC1CC[NH+](Cc2cccs2)CC1)c1cnn(C)n1 ZINC000924865945 693195033 /nfs/dbraw/zinc/19/50/33/693195033.db2.gz KYDHZQXOHAVYNX-ZDUSSCGKSA-N 1 3 319.478 2.439 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CC[NH+](C[C@@H](C)CC)CC2)N(C)C ZINC001050560857 693206961 /nfs/dbraw/zinc/20/69/61/693206961.db2.gz JXWOCWNPEMXUIU-JKSUJKDBSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001050662660 693227039 /nfs/dbraw/zinc/22/70/39/693227039.db2.gz LKXJJGPSEMXVCI-IAGOWNOFSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@@H](NCC1([NH+]2CCCCC2)CCN(C)CC1)c1ncco1 ZINC000925154068 693233884 /nfs/dbraw/zinc/23/38/84/693233884.db2.gz HECLUPHXUTVNTE-OAHLLOKOSA-N 1 3 306.454 2.276 20 0 DEADHO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000925316882 693255609 /nfs/dbraw/zinc/25/56/09/693255609.db2.gz IZRLLDRSJSSKRT-HOTGVXAUSA-N 1 3 312.502 2.088 20 0 DEADHO CC1(C)C[C@H]([NH3+])C[C@@H](NCc2ccc(CS(C)(=O)=O)cc2)C1 ZINC000925484338 693280340 /nfs/dbraw/zinc/28/03/40/693280340.db2.gz DYOKTBCGKKADIO-HZPDHXFCSA-N 1 3 324.490 2.227 20 0 DEADHO C[C@H](N[C@H]1CC(=O)N(C2CC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000925491387 693281566 /nfs/dbraw/zinc/28/15/66/693281566.db2.gz CJHOJQQFFGXINY-BBRMVZONSA-N 1 3 301.434 2.162 20 0 DEADHO COc1ccc(C2(CN[C@@H]3CCC[NH2+][C@@H]3C)CCOCC2)cc1 ZINC000925564537 693298762 /nfs/dbraw/zinc/29/87/62/693298762.db2.gz SENLCZKFLBBIAI-CRAIPNDOSA-N 1 3 318.461 2.474 20 0 DEADHO CC(C)c1nnc2n1C[C@@H](N[C@@H]1[C@@H]3CCC[NH2+][C@@H]3C1(C)C)CC2 ZINC000925636507 693314113 /nfs/dbraw/zinc/31/41/13/693314113.db2.gz SWVPAYAXMLBMDP-LQKXBSAESA-N 1 3 317.481 2.083 20 0 DEADHO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H]1[C@@H]3CCCN[C@@H]3C1(C)C)CC2 ZINC000925636507 693314117 /nfs/dbraw/zinc/31/41/17/693314117.db2.gz SWVPAYAXMLBMDP-LQKXBSAESA-N 1 3 317.481 2.083 20 0 DEADHO OC[C@@H](Cc1ccccc1)N[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925641490 693315050 /nfs/dbraw/zinc/31/50/50/693315050.db2.gz NTUOATOTGPBEFY-QRVBRYPASA-N 1 3 302.462 2.348 20 0 DEADHO CC1(C)[NH2+]CC[C@@H]1NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000925649311 693316745 /nfs/dbraw/zinc/31/67/45/693316745.db2.gz DCTJGHHXKNODSU-ROUUACIJSA-N 1 3 317.477 2.008 20 0 DEADHO Cn1ccnc1[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CCO1 ZINC000925686338 693324103 /nfs/dbraw/zinc/32/41/03/693324103.db2.gz UFRSTSDFHHBFRZ-RBGFHDKUSA-N 1 3 318.465 2.006 20 0 DEADHO Cn1ccnc1[C@@H]1C[C@H](N[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCO1 ZINC000925686338 693324108 /nfs/dbraw/zinc/32/41/08/693324108.db2.gz UFRSTSDFHHBFRZ-RBGFHDKUSA-N 1 3 318.465 2.006 20 0 DEADHO CCS(=O)(=O)Nc1ccc([C@@H](C)NCCC(C)(C)[NH3+])cc1 ZINC000925740311 693333661 /nfs/dbraw/zinc/33/36/61/693333661.db2.gz IGFZLKWVANPFKP-GFCCVEGCSA-N 1 3 313.467 2.226 20 0 DEADHO CC1([NH+]2CCC2)CCC(NC(=O)Nc2ncccc2CN)CC1 ZINC000926169600 693409000 /nfs/dbraw/zinc/40/90/00/693409000.db2.gz LUYABHJDGZHZOK-UHFFFAOYSA-N 1 3 317.437 2.069 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000926277473 693427236 /nfs/dbraw/zinc/42/72/36/693427236.db2.gz JEVOERGRQLNDAX-HPPSQRKUSA-N 1 3 324.415 2.046 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2CC2)CC1 ZINC001052428385 693531769 /nfs/dbraw/zinc/53/17/69/693531769.db2.gz HOLRSQCGUQBRDL-DLBZAZTESA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CC2)CC1 ZINC001052428385 693531772 /nfs/dbraw/zinc/53/17/72/693531772.db2.gz HOLRSQCGUQBRDL-DLBZAZTESA-N 1 3 307.482 2.242 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099823 693689653 /nfs/dbraw/zinc/68/96/53/693689653.db2.gz ZNNXUQWYIKXYLQ-NVXWUHKLSA-N 1 3 318.465 2.455 20 0 DEADHO CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099823 693689656 /nfs/dbraw/zinc/68/96/56/693689656.db2.gz ZNNXUQWYIKXYLQ-NVXWUHKLSA-N 1 3 318.465 2.455 20 0 DEADHO CC(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001402245393 1162304550 /nfs/dbraw/zinc/30/45/50/1162304550.db2.gz VPAHPJPNBGBSDO-CVEARBPZSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+]CCc2ccccc2)CCC1 ZINC001402579298 1162399994 /nfs/dbraw/zinc/39/99/94/1162399994.db2.gz PGAVAFWGKAZYNA-UHFFFAOYSA-N 1 3 317.477 2.198 20 0 DEADHO C[C@@H](F)CC[N@@H+]1CCC[C@@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001402600715 1162406433 /nfs/dbraw/zinc/40/64/33/1162406433.db2.gz BPRHUBLWDYDNNA-HUUCEWRRSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H](F)CC[N@H+]1CCC[C@@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001402600715 1162406437 /nfs/dbraw/zinc/40/64/37/1162406437.db2.gz BPRHUBLWDYDNNA-HUUCEWRRSA-N 1 3 313.461 2.190 20 0 DEADHO CCC[C@@H]1CC(=O)N(CN2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)C1 ZINC001352759795 1151775840 /nfs/dbraw/zinc/77/58/40/1151775840.db2.gz GNIJVSAEKOUVJD-LTIDMASMSA-N 1 3 307.482 2.255 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC001480460834 1151821643 /nfs/dbraw/zinc/82/16/43/1151821643.db2.gz XSPSZZLULNDASE-RHSMWYFYSA-N 1 3 321.440 2.293 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]C/C=C\c1ccccc1)N(C)C ZINC001480538902 1151845611 /nfs/dbraw/zinc/84/56/11/1151845611.db2.gz SYFWBLUPYNLLFD-UKGUVBINSA-N 1 3 303.450 2.134 20 0 DEADHO CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001402715485 1162448666 /nfs/dbraw/zinc/44/86/66/1162448666.db2.gz MHIZZVDYIPCWHJ-GOSISDBHSA-N 1 3 309.498 2.299 20 0 DEADHO CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001402715485 1162448668 /nfs/dbraw/zinc/44/86/68/1162448668.db2.gz MHIZZVDYIPCWHJ-GOSISDBHSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+]CC1CC(C)C1 ZINC001402755557 1162461371 /nfs/dbraw/zinc/46/13/71/1162461371.db2.gz ITOYZIWNUGZTCY-JCYILVPMSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N1CCN(CCC[N@H+](C)C[C@]23CCC[C@H]2OCC3)CC1 ZINC001414061600 1152561099 /nfs/dbraw/zinc/56/10/99/1152561099.db2.gz STPZZFJXROTIPB-RTBURBONSA-N 1 3 323.525 2.294 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+](C)C[C@]23CCC[C@H]2OCC3)CC1 ZINC001414061600 1152561101 /nfs/dbraw/zinc/56/11/01/1152561101.db2.gz STPZZFJXROTIPB-RTBURBONSA-N 1 3 323.525 2.294 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C/C=C/Cl ZINC001402841107 1162492584 /nfs/dbraw/zinc/49/25/84/1162492584.db2.gz CUQRAPLJJGJLQE-AOEIMKSNSA-N 1 3 315.889 2.486 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccsc1)C1CC1)N(C)C ZINC001379908993 1152712346 /nfs/dbraw/zinc/71/23/46/1152712346.db2.gz LJHMZOKOZHGGHR-JKSUJKDBSA-N 1 3 323.506 2.319 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C[NH2+]CC1CC1)C1CC1)N1CCCCC1 ZINC001379922859 1152713696 /nfs/dbraw/zinc/71/36/96/1152713696.db2.gz SFYZKYRUVDXKCR-QZTJIDSGSA-N 1 3 321.509 2.391 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CC[N@@H+]1CC1CCC1)N1CCCCC1 ZINC001379976565 1152723072 /nfs/dbraw/zinc/72/30/72/1152723072.db2.gz WGMMPBYYHIQEEG-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CC[N@H+]1CC1CCC1)N1CCCCC1 ZINC001379976565 1152723074 /nfs/dbraw/zinc/72/30/74/1152723074.db2.gz WGMMPBYYHIQEEG-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1C[C@@H](C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC[N@@H+]1C ZINC001361871550 1152763801 /nfs/dbraw/zinc/76/38/01/1152763801.db2.gz VZQACUQDULEMRG-SZMVWBNQSA-N 1 3 317.477 2.006 20 0 DEADHO C[C@H]1C[C@@H](C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC[N@H+]1C ZINC001361871550 1152763802 /nfs/dbraw/zinc/76/38/02/1152763802.db2.gz VZQACUQDULEMRG-SZMVWBNQSA-N 1 3 317.477 2.006 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001380204624 1152767685 /nfs/dbraw/zinc/76/76/85/1152767685.db2.gz LAHBERZIBGAZPD-GOSISDBHSA-N 1 3 307.482 2.053 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001380204624 1152767689 /nfs/dbraw/zinc/76/76/89/1152767689.db2.gz LAHBERZIBGAZPD-GOSISDBHSA-N 1 3 307.482 2.053 20 0 DEADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cccc(CC[NH+](C)C)c1 ZINC001362124139 1152828964 /nfs/dbraw/zinc/82/89/64/1152828964.db2.gz GMSIQPNVEAMVGF-KBXCAEBGSA-N 1 3 315.461 2.003 20 0 DEADHO C[C@@H](CC[NH+](C)C)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC001362198609 1152848148 /nfs/dbraw/zinc/84/81/48/1152848148.db2.gz RRNYPXZEDXMLHO-HNNXBMFYSA-N 1 3 323.456 2.304 20 0 DEADHO CC(C)C[NH+]1CCC(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC001362282486 1152868268 /nfs/dbraw/zinc/86/82/68/1152868268.db2.gz RMXBUOAYTUDRMX-GDBMZVCRSA-N 1 3 307.482 2.096 20 0 DEADHO CC[C@H](F)CN1CCC[C@@H](NC(=O)CC[N@H+](C)CC)CC1 ZINC001380942939 1152882600 /nfs/dbraw/zinc/88/26/00/1152882600.db2.gz XUYUTHUXBIPRGV-LSDHHAIUSA-N 1 3 301.450 2.047 20 0 DEADHO CC[C@H](F)CN1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001380942939 1152882602 /nfs/dbraw/zinc/88/26/02/1152882602.db2.gz XUYUTHUXBIPRGV-LSDHHAIUSA-N 1 3 301.450 2.047 20 0 DEADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCCN(C)Cc2ccsc2)C1 ZINC001380961608 1152886178 /nfs/dbraw/zinc/88/61/78/1152886178.db2.gz ANWQRNWCORZHHO-HNNXBMFYSA-N 1 3 323.506 2.370 20 0 DEADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)Cc2ccsc2)C1 ZINC001380961608 1152886179 /nfs/dbraw/zinc/88/61/79/1152886179.db2.gz ANWQRNWCORZHHO-HNNXBMFYSA-N 1 3 323.506 2.370 20 0 DEADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001381224431 1152959197 /nfs/dbraw/zinc/95/91/97/1152959197.db2.gz ZFFCLTRBRZBLEC-WMLDXEAASA-N 1 3 323.456 2.459 20 0 DEADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001381390714 1153036410 /nfs/dbraw/zinc/03/64/10/1153036410.db2.gz NBAJAJKZCFFQRQ-ZIAGYGMSSA-N 1 3 321.440 2.293 20 0 DEADHO CC(C)[C@H](CCN(C)C(=O)CN1CCCC1)[NH2+]C/C=C/Cl ZINC001381713284 1153192795 /nfs/dbraw/zinc/19/27/95/1153192795.db2.gz DROBTGHROBBUOR-VFADXPBXSA-N 1 3 315.889 2.297 20 0 DEADHO Cc1cc(C)cc(CN2CC([C@@H](C)NC(=O)CC[NH+](C)C)C2)c1 ZINC001381799837 1153228663 /nfs/dbraw/zinc/22/86/63/1153228663.db2.gz AQRASCXTPPKNPI-MRXNPFEDSA-N 1 3 317.477 2.192 20 0 DEADHO CC1CC[NH+](CC[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C)CC1 ZINC001363173463 1153253980 /nfs/dbraw/zinc/25/39/80/1153253980.db2.gz KIGHTLRLANTZRU-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CN(CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2)C1)C1CCC1 ZINC001381960939 1153290296 /nfs/dbraw/zinc/29/02/96/1153290296.db2.gz FAJHDBAZNOPKCN-QAQDUYKDSA-N 1 3 315.461 2.155 20 0 DEADHO CC[C@@H](F)C[N@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001381979003 1153301931 /nfs/dbraw/zinc/30/19/31/1153301931.db2.gz GUAIRZNGLHNULI-CQSZACIVSA-N 1 3 313.461 2.142 20 0 DEADHO CC[C@@H](F)C[N@@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001381979003 1153301937 /nfs/dbraw/zinc/30/19/37/1153301937.db2.gz GUAIRZNGLHNULI-CQSZACIVSA-N 1 3 313.461 2.142 20 0 DEADHO CN1CCC[C@H]1CC[N@H+](C)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001363322190 1153335547 /nfs/dbraw/zinc/33/55/47/1153335547.db2.gz FKHMPDGZXNEINO-CAOSSQGBSA-N 1 3 323.481 2.268 20 0 DEADHO CN1CCC[C@H]1CC[N@@H+](C)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001363322190 1153335555 /nfs/dbraw/zinc/33/55/55/1153335555.db2.gz FKHMPDGZXNEINO-CAOSSQGBSA-N 1 3 323.481 2.268 20 0 DEADHO C[C@@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)[C@@H]1CCCOC1 ZINC001363427891 1153396662 /nfs/dbraw/zinc/39/66/62/1153396662.db2.gz LQYSGWWGPJGYBI-MRLCAUJQSA-N 1 3 310.482 2.425 20 0 DEADHO CC[C@H](C(=O)N(C)C1CC([NH2+]CC=C(Cl)Cl)C1)N(C)C ZINC001382589083 1153477231 /nfs/dbraw/zinc/47/72/31/1153477231.db2.gz KSVYQOMVFQBNSL-HTAVTVPLSA-N 1 3 322.280 2.225 20 0 DEADHO CCN1CCC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC001363650694 1153527664 /nfs/dbraw/zinc/52/76/64/1153527664.db2.gz LWJOXGXPTTTZQN-IBGZPJMESA-N 1 3 316.493 2.368 20 0 DEADHO CC(C)(C)OC(=O)NCC1(C[NH2+]C[C@@H]2CN3CCC2CC3)CC1 ZINC001363684184 1153553420 /nfs/dbraw/zinc/55/34/20/1153553420.db2.gz DIBUOMOVFZLTIA-OAHLLOKOSA-N 1 3 323.481 2.223 20 0 DEADHO CC(C)(C)OC(=O)NCC1(C[NH2+]C[C@H]2CN3CCC2CC3)CC1 ZINC001363684176 1153553592 /nfs/dbraw/zinc/55/35/92/1153553592.db2.gz DIBUOMOVFZLTIA-HNNXBMFYSA-N 1 3 323.481 2.223 20 0 DEADHO CC(C)C[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)CC1 ZINC001363906716 1153712215 /nfs/dbraw/zinc/71/22/15/1153712215.db2.gz RSCCIPGPDFNDSV-IAGOWNOFSA-N 1 3 307.482 2.050 20 0 DEADHO Cc1cc(F)ccc1C[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)C(C)C ZINC001403035074 1162645639 /nfs/dbraw/zinc/64/56/39/1162645639.db2.gz KFHLEJBUGXHZGF-CABCVRRESA-N 1 3 323.456 2.457 20 0 DEADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)NCc1ccccc1F ZINC001403041701 1162651373 /nfs/dbraw/zinc/65/13/73/1162651373.db2.gz CIYCMOAXWNNLSP-CQSZACIVSA-N 1 3 321.440 2.152 20 0 DEADHO Cc1ccc(F)c(CN[C@H](C)CNC(=O)C2CC[NH+](C)CC2)c1 ZINC001403045392 1162658298 /nfs/dbraw/zinc/65/82/98/1162658298.db2.gz LEBPIRCRYBKVSH-CQSZACIVSA-N 1 3 321.440 2.070 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CN(C)CCF)C1 ZINC001389719671 1155402541 /nfs/dbraw/zinc/40/25/41/1155402541.db2.gz HVJMPAXEPNOQRL-HZPDHXFCSA-N 1 3 313.461 2.001 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CN(C)CCF)C1 ZINC001389719671 1155402544 /nfs/dbraw/zinc/40/25/44/1155402544.db2.gz HVJMPAXEPNOQRL-HZPDHXFCSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H](C[N@H+](C)C/C=C/Cl)C1)N(C)C ZINC001389767338 1155421449 /nfs/dbraw/zinc/42/14/49/1155421449.db2.gz VUSAAWBMFXBSLQ-VIGJRRFGSA-N 1 3 315.889 2.250 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H](C[N@@H+](C)C/C=C/Cl)C1)N(C)C ZINC001389767338 1155421454 /nfs/dbraw/zinc/42/14/54/1155421454.db2.gz VUSAAWBMFXBSLQ-VIGJRRFGSA-N 1 3 315.889 2.250 20 0 DEADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2)C1)C1CCC1 ZINC001389857684 1155454645 /nfs/dbraw/zinc/45/46/45/1155454645.db2.gz FZDMMBKTKZHGNL-WKILWMFISA-N 1 3 319.424 2.047 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CCCC[N@@H+]1CC1CC1)N1CCCC1 ZINC001390127132 1155536795 /nfs/dbraw/zinc/53/67/95/1155536795.db2.gz LBKJAHCQECNAOE-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CCCC[N@H+]1CC1CC1)N1CCCC1 ZINC001390127132 1155536801 /nfs/dbraw/zinc/53/68/01/1155536801.db2.gz LBKJAHCQECNAOE-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001371199764 1155780512 /nfs/dbraw/zinc/78/05/12/1155780512.db2.gz IQIAMVOZGGANFL-OLZOCXBDSA-N 1 3 317.424 2.000 20 0 DEADHO Cc1ccc(F)cc1C[NH2+][C@@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001371361786 1155834031 /nfs/dbraw/zinc/83/40/31/1155834031.db2.gz HITKIJNOECKPTH-ZFWWWQNUSA-N 1 3 321.440 2.070 20 0 DEADHO C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)NCc1cncs1 ZINC001371382198 1155839556 /nfs/dbraw/zinc/83/95/56/1155839556.db2.gz HUGBWSYWABOKJR-ZIAGYGMSSA-N 1 3 324.494 2.002 20 0 DEADHO Cc1cccc(C)c1CN(C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001390770743 1155865652 /nfs/dbraw/zinc/86/56/52/1155865652.db2.gz IJRDWBXCTMVRCX-SFHVURJKSA-N 1 3 319.493 2.438 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](C)Cc1ccc(C2CC2)cc1)N(C)C ZINC001390846139 1155889781 /nfs/dbraw/zinc/88/97/81/1155889781.db2.gz IQSKJUMDYYWHBW-GOSISDBHSA-N 1 3 317.477 2.452 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](C)Cc1ccc(C2CC2)cc1)N(C)C ZINC001390846139 1155889782 /nfs/dbraw/zinc/88/97/82/1155889782.db2.gz IQSKJUMDYYWHBW-GOSISDBHSA-N 1 3 317.477 2.452 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](C)[C@H]1CCc2ccccc21)N(C)C ZINC001390847314 1155890432 /nfs/dbraw/zinc/89/04/32/1155890432.db2.gz NAMBFGUGVVAJHE-SJORKVTESA-N 1 3 303.450 2.062 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](C)[C@H]1CCc2ccccc21)N(C)C ZINC001390847314 1155890434 /nfs/dbraw/zinc/89/04/34/1155890434.db2.gz NAMBFGUGVVAJHE-SJORKVTESA-N 1 3 303.450 2.062 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](CC)Cc1ccc(F)cc1C)N(C)C ZINC001391004619 1156043205 /nfs/dbraw/zinc/04/32/05/1156043205.db2.gz GZHWJSCNUCMDQL-QGZVFWFLSA-N 1 3 323.456 2.412 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](CC)Cc1ccc(F)cc1C)N(C)C ZINC001391004619 1156043208 /nfs/dbraw/zinc/04/32/08/1156043208.db2.gz GZHWJSCNUCMDQL-QGZVFWFLSA-N 1 3 323.456 2.412 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cncs1 ZINC001371888393 1156054719 /nfs/dbraw/zinc/05/47/19/1156054719.db2.gz NPLNZBIJNHJLSY-HIFRSBDPSA-N 1 3 324.494 2.002 20 0 DEADHO C[C@@H](c1ccc(F)cc1)N1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001391059550 1156077084 /nfs/dbraw/zinc/07/70/84/1156077084.db2.gz HAYUPWDRXQBBFD-YOEHRIQHSA-N 1 3 321.440 2.419 20 0 DEADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001391340072 1156343417 /nfs/dbraw/zinc/34/34/17/1156343417.db2.gz PGGADEUSDCFOTG-AQFXKWCLSA-N 1 3 309.498 2.203 20 0 DEADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@@H+](CC2CC(C)C2)C1 ZINC001391340072 1156343420 /nfs/dbraw/zinc/34/34/20/1156343420.db2.gz PGGADEUSDCFOTG-AQFXKWCLSA-N 1 3 309.498 2.203 20 0 DEADHO CC[C@@H](C(=O)N1CCC(C[N@H+](C)C/C=C/Cl)CC1)N(C)C ZINC001391366932 1156363349 /nfs/dbraw/zinc/36/33/49/1156363349.db2.gz KLUORCFZXWCJSJ-PPYMECGQSA-N 1 3 315.889 2.250 20 0 DEADHO CC[C@@H](C(=O)N1CCC(C[N@@H+](C)C/C=C/Cl)CC1)N(C)C ZINC001391366932 1156363354 /nfs/dbraw/zinc/36/33/54/1156363354.db2.gz KLUORCFZXWCJSJ-PPYMECGQSA-N 1 3 315.889 2.250 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1C[NH+](CC2CC(C)(C)C2)C1)N(C)C ZINC001391516713 1156483229 /nfs/dbraw/zinc/48/32/29/1156483229.db2.gz NOQLRYXOVWEBRI-INIZCTEOSA-N 1 3 309.498 2.057 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+](CCC(C)(C)C)C1)N(C)C ZINC001372656367 1156644941 /nfs/dbraw/zinc/64/49/41/1156644941.db2.gz VZGSXWVRYFHZQA-HZPDHXFCSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+](CCC(C)(C)C)C1)N(C)C ZINC001372656367 1156644946 /nfs/dbraw/zinc/64/49/46/1156644946.db2.gz VZGSXWVRYFHZQA-HZPDHXFCSA-N 1 3 311.514 2.447 20 0 DEADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001391716103 1156727386 /nfs/dbraw/zinc/72/73/86/1156727386.db2.gz BZGITJDSDZPZKH-GOEBONIOSA-N 1 3 309.498 2.249 20 0 DEADHO CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1ccsc1 ZINC001391720915 1156736490 /nfs/dbraw/zinc/73/64/90/1156736490.db2.gz KMPFRGLROPAWPX-HUUCEWRRSA-N 1 3 311.495 2.319 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC001403173937 1162806704 /nfs/dbraw/zinc/80/67/04/1162806704.db2.gz YVFGVNMQEGCJHQ-CRAIPNDOSA-N 1 3 317.477 2.499 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)NCC[N@H+](C)C1CCCCC1 ZINC001372848554 1156809003 /nfs/dbraw/zinc/80/90/03/1156809003.db2.gz MDRQUNZUPGMGOT-INIZCTEOSA-N 1 3 310.486 2.034 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC001372848554 1156809006 /nfs/dbraw/zinc/80/90/06/1156809006.db2.gz MDRQUNZUPGMGOT-INIZCTEOSA-N 1 3 310.486 2.034 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC[C@H](C)F)CC1)N(C)C ZINC001391825575 1156811229 /nfs/dbraw/zinc/81/12/29/1156811229.db2.gz GFXVGHARFMWECM-YHUYYLMFSA-N 1 3 315.477 2.338 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]C/C(Cl)=C\Cl)C1)N(C)C ZINC001403255030 1162828799 /nfs/dbraw/zinc/82/87/99/1162828799.db2.gz VFXDAERMPYNQJD-XZKMQQEGSA-N 1 3 322.280 2.084 20 0 DEADHO CC[C@@H](C(=O)N(CC)CC[NH2+][C@@H]1CCc2ccccc21)N(C)C ZINC001392455371 1157053681 /nfs/dbraw/zinc/05/36/81/1157053681.db2.gz RZAZNFWINWYLRG-MSOLQXFVSA-N 1 3 317.477 2.452 20 0 DEADHO CC[C@H](C(=O)NCC1C[NH+](CCCC2CCCC2)C1)N(C)C ZINC001373514832 1157077361 /nfs/dbraw/zinc/07/73/61/1157077361.db2.gz JQNSOBHTIXAWCW-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](C[NH2+]Cc1ccc(Cl)cc1)NC(=O)CN1CC[C@H](C)C1 ZINC001392509457 1157082839 /nfs/dbraw/zinc/08/28/39/1157082839.db2.gz HLKZLNFVBMKAPO-UONOGXRCSA-N 1 3 323.868 2.276 20 0 DEADHO CCc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](CC)N(C)C)cc1 ZINC001392512241 1157083818 /nfs/dbraw/zinc/08/38/18/1157083818.db2.gz WWAAQDFHHZWRKT-PBHICJAKSA-N 1 3 305.466 2.184 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]C/C(Cl)=C/Cl)C1)N(C)C ZINC001403255025 1162828659 /nfs/dbraw/zinc/82/86/59/1162828659.db2.gz VFXDAERMPYNQJD-SLZKOVEISA-N 1 3 322.280 2.084 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001392621447 1157224132 /nfs/dbraw/zinc/22/41/32/1157224132.db2.gz ZHDGMBBFYWDIAE-BBRMVZONSA-N 1 3 309.429 2.204 20 0 DEADHO CCc1ccc(CN2CC([C@@H](C)NC(=O)CC[NH+](C)C)C2)cc1 ZINC001403321707 1162850322 /nfs/dbraw/zinc/85/03/22/1162850322.db2.gz KHKQNPFZKYANPV-OAHLLOKOSA-N 1 3 317.477 2.137 20 0 DEADHO C[C@H](CN(C)Cc1cc2ccccc2o1)NC(=O)CC[NH+](C)C ZINC001392686541 1157336055 /nfs/dbraw/zinc/33/60/55/1157336055.db2.gz HNAQDFCFUCYIKW-CQSZACIVSA-N 1 3 317.433 2.321 20 0 DEADHO CC(C)CC[N@@H+]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001403360648 1162862794 /nfs/dbraw/zinc/86/27/94/1162862794.db2.gz NSLGSBGVPPHAPP-JKSUJKDBSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)CC[N@H+]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001403360648 1162862796 /nfs/dbraw/zinc/86/27/96/1162862796.db2.gz NSLGSBGVPPHAPP-JKSUJKDBSA-N 1 3 311.514 2.445 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001374014113 1157545824 /nfs/dbraw/zinc/54/58/24/1157545824.db2.gz NYOPOZJIUKAJEM-CABCVRRESA-N 1 3 315.477 2.341 20 0 DEADHO C[C@@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)NC/C(Cl)=C\Cl ZINC001403438948 1162882475 /nfs/dbraw/zinc/88/24/75/1162882475.db2.gz AUMDFDMLJPHYKZ-FPAFNPANSA-N 1 3 322.280 2.132 20 0 DEADHO C[C@@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)NC/C(Cl)=C\Cl ZINC001403438948 1162882476 /nfs/dbraw/zinc/88/24/76/1162882476.db2.gz AUMDFDMLJPHYKZ-FPAFNPANSA-N 1 3 322.280 2.132 20 0 DEADHO CC(C)C[NH2+]C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1CCCC1 ZINC001393081468 1157662179 /nfs/dbraw/zinc/66/21/79/1157662179.db2.gz GSKCWAYKWFWARF-IRXDYDNUSA-N 1 3 311.514 2.493 20 0 DEADHO CC(C)[C@H](C(=O)N(C)[C@@H](C)CNCc1ccccc1F)[NH+](C)C ZINC001374286091 1157803198 /nfs/dbraw/zinc/80/31/98/1157803198.db2.gz UWBURNVMLMCNPB-WMLDXEAASA-N 1 3 323.456 2.348 20 0 DEADHO Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)CN2CCCC2)cs1 ZINC001374323135 1157812759 /nfs/dbraw/zinc/81/27/59/1157812759.db2.gz APOXRSJLNCONPG-CYBMUJFWSA-N 1 3 309.479 2.089 20 0 DEADHO C[C@@H]([NH2+]CCC(C)(C)C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001393390859 1157818675 /nfs/dbraw/zinc/81/86/75/1157818675.db2.gz LTSWNPKUWPJWBY-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001393412801 1157823761 /nfs/dbraw/zinc/82/37/61/1157823761.db2.gz UOXHOPMQEUUZBA-KSZLIROESA-N 1 3 323.525 2.399 20 0 DEADHO CC(C)CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001393412801 1157823763 /nfs/dbraw/zinc/82/37/63/1157823763.db2.gz UOXHOPMQEUUZBA-KSZLIROESA-N 1 3 323.525 2.399 20 0 DEADHO CC(C)[C@H](CNC(=O)[C@@H]1CCCN1C(C)C)[NH2+]CC1CCC1 ZINC001374418034 1157848587 /nfs/dbraw/zinc/84/85/87/1157848587.db2.gz AXUMITVNGDVTHF-IRXDYDNUSA-N 1 3 309.498 2.390 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[N@H+](C)C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001374535831 1157891933 /nfs/dbraw/zinc/89/19/33/1157891933.db2.gz XEEKOOBBBQSLEL-KGLIPLIRSA-N 1 3 319.440 2.152 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001374535831 1157891934 /nfs/dbraw/zinc/89/19/34/1157891934.db2.gz XEEKOOBBBQSLEL-KGLIPLIRSA-N 1 3 319.440 2.152 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@H]1CCC[N@H+](CC)C1 ZINC001393653102 1157894090 /nfs/dbraw/zinc/89/40/90/1157894090.db2.gz WCJOUBVPELXLAZ-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+](CC)C1 ZINC001393653102 1157894092 /nfs/dbraw/zinc/89/40/92/1157894092.db2.gz WCJOUBVPELXLAZ-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@H](C[NH2+][C@H](C)c1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001374769949 1158014892 /nfs/dbraw/zinc/01/48/92/1158014892.db2.gz FNRSBFQJGZGNCO-HUUCEWRRSA-N 1 3 303.450 2.326 20 0 DEADHO CN(Cc1ccccc1)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001393884133 1158044225 /nfs/dbraw/zinc/04/42/25/1158044225.db2.gz PMLYDRMNHWOBTJ-GOSISDBHSA-N 1 3 317.477 2.451 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]CCc1ccccc1 ZINC001393936462 1158083965 /nfs/dbraw/zinc/08/39/65/1158083965.db2.gz RRYSOUPOSWWRSP-HOTGVXAUSA-N 1 3 317.477 2.196 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CCc1ccccc1F ZINC001394004247 1158153744 /nfs/dbraw/zinc/15/37/44/1158153744.db2.gz PLEYKPWMZPONRI-GJZGRUSLSA-N 1 3 323.456 2.191 20 0 DEADHO Cc1cccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001394010711 1158160803 /nfs/dbraw/zinc/16/08/03/1158160803.db2.gz XREKSBYWZQOIQC-HZPDHXFCSA-N 1 3 305.466 2.318 20 0 DEADHO Cc1cccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001394010714 1158161198 /nfs/dbraw/zinc/16/11/98/1158161198.db2.gz XREKSBYWZQOIQC-JKSUJKDBSA-N 1 3 305.466 2.318 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1C)N(C)C ZINC001375134451 1158342948 /nfs/dbraw/zinc/34/29/48/1158342948.db2.gz HHMLVHIQBCVLTH-WBVHZDCISA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1C)N(C)C ZINC001375134451 1158342956 /nfs/dbraw/zinc/34/29/56/1158342956.db2.gz HHMLVHIQBCVLTH-WBVHZDCISA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](CC2CC3(CCC3)C2)C1)N(C)C ZINC001394265747 1158401416 /nfs/dbraw/zinc/40/14/16/1158401416.db2.gz OIGDEKXNGPOCFQ-YOEHRIQHSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001394383703 1158458080 /nfs/dbraw/zinc/45/80/80/1158458080.db2.gz OPEOVHCXFQSVFS-ULQDDVLXSA-N 1 3 309.498 2.390 20 0 DEADHO CC[C@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001375509731 1158785242 /nfs/dbraw/zinc/78/52/42/1158785242.db2.gz FBJIIBHHXCJATC-JONQDZQNSA-N 1 3 313.461 2.093 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C1CC[NH+](CC[C@@H](C)F)CC1 ZINC001394847147 1158812024 /nfs/dbraw/zinc/81/20/24/1158812024.db2.gz JWBXWDIBJPUVBP-CHWSQXEVSA-N 1 3 324.444 2.225 20 0 DEADHO CCCN(C)CC(=O)N(CCC)C1CC[NH+](CC2CC2)CC1 ZINC001376185827 1159208999 /nfs/dbraw/zinc/20/89/99/1159208999.db2.gz SCIIROGAZOZXBF-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)N(C)C ZINC001376396227 1159384307 /nfs/dbraw/zinc/38/43/07/1159384307.db2.gz AOFPEKAQCLLMGX-BRWVUGGUSA-N 1 3 309.498 2.390 20 0 DEADHO C[C@@H](N[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1)c1ccccc1F ZINC001376481420 1159466270 /nfs/dbraw/zinc/46/62/70/1159466270.db2.gz UVWOHVJRKPXEMH-MCIONIFRSA-N 1 3 307.413 2.075 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H](C)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001403598751 1163037753 /nfs/dbraw/zinc/03/77/53/1163037753.db2.gz VJUVNUYISBVGDP-ZIAGYGMSSA-N 1 3 303.466 2.149 20 0 DEADHO C[C@@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)NCc1ccccc1F ZINC001403618343 1163052818 /nfs/dbraw/zinc/05/28/18/1163052818.db2.gz TURGOSRXQNIUDU-LSDHHAIUSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)NCc1ccccc1F ZINC001403618343 1163052826 /nfs/dbraw/zinc/05/28/26/1163052826.db2.gz TURGOSRXQNIUDU-LSDHHAIUSA-N 1 3 321.440 2.104 20 0 DEADHO Cc1cccc(C)c1C[NH2+][C@@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001376795055 1159802131 /nfs/dbraw/zinc/80/21/31/1159802131.db2.gz ATZDPGGGNHWFAQ-YOEHRIQHSA-N 1 3 317.477 2.240 20 0 DEADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N[C@@H](C)c1ccccc1F ZINC001376803541 1159806568 /nfs/dbraw/zinc/80/65/68/1159806568.db2.gz ATTBJQYHYQTSBK-KGLIPLIRSA-N 1 3 321.440 2.323 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]Cc2ccc(C)cc2)CCC1)N(C)C ZINC001376811794 1159809850 /nfs/dbraw/zinc/80/98/50/1159809850.db2.gz XKSBRJGGAPVFTE-QGZVFWFLSA-N 1 3 317.477 2.464 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CC3CCC3)C2)CCC1 ZINC001376957857 1159856694 /nfs/dbraw/zinc/85/66/94/1159856694.db2.gz GXGSKOVEYIOCLT-HZPDHXFCSA-N 1 3 307.482 2.288 20 0 DEADHO CCC1([NH2+]CC2CCC2)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001377148087 1159987661 /nfs/dbraw/zinc/98/76/61/1159987661.db2.gz MBWMXMFKGRJTQP-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)[C@H]1C ZINC001397266130 1160095177 /nfs/dbraw/zinc/09/51/77/1160095177.db2.gz SBSOVWOGMPVVSL-IXDOHACOSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)[C@H]1C ZINC001397266130 1160095188 /nfs/dbraw/zinc/09/51/88/1160095188.db2.gz SBSOVWOGMPVVSL-IXDOHACOSA-N 1 3 309.498 2.342 20 0 DEADHO C[NH+](C)CC1(C(=O)NC[C@H]2CCN(Cc3ccsc3)C2)CC1 ZINC001377452224 1160380229 /nfs/dbraw/zinc/38/02/29/1160380229.db2.gz LGMMLAADMRBAFZ-CQSZACIVSA-N 1 3 321.490 2.028 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC2CCCCC2)C[C@@H]1C ZINC001403739005 1163126126 /nfs/dbraw/zinc/12/61/26/1163126126.db2.gz BTXGSPFYCVWFKL-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[NH2+][C@H](CNC(=O)[C@H](C(C)C)N(C)C)c1ccccc1 ZINC001377693633 1160743187 /nfs/dbraw/zinc/74/31/87/1160743187.db2.gz GQYNCBTVTZTCGQ-SJORKVTESA-N 1 3 305.466 2.428 20 0 DEADHO C[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)NC/C=C/Cl ZINC001399010636 1161188182 /nfs/dbraw/zinc/18/81/82/1161188182.db2.gz DKPKRIMEAVUWAQ-OAUONFCTSA-N 1 3 315.889 2.488 20 0 DEADHO C[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)NC/C=C/Cl ZINC001399010636 1161188186 /nfs/dbraw/zinc/18/81/86/1161188186.db2.gz DKPKRIMEAVUWAQ-OAUONFCTSA-N 1 3 315.889 2.488 20 0 DEADHO CC[N@H+](C)CCC(=O)NCCN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001399632666 1161488668 /nfs/dbraw/zinc/48/86/68/1161488668.db2.gz IZBMLSLZJYTXAJ-QGZVFWFLSA-N 1 3 321.440 2.203 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCCN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001399632666 1161488671 /nfs/dbraw/zinc/48/86/71/1161488671.db2.gz IZBMLSLZJYTXAJ-QGZVFWFLSA-N 1 3 321.440 2.203 20 0 DEADHO CCc1cccc(CN(C)CCNC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001399642380 1161496019 /nfs/dbraw/zinc/49/60/19/1161496019.db2.gz NSCUHSFFQHZACO-GOSISDBHSA-N 1 3 317.477 2.139 20 0 DEADHO CCc1cccc(CN(C)CCNC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001399642380 1161496026 /nfs/dbraw/zinc/49/60/26/1161496026.db2.gz NSCUHSFFQHZACO-GOSISDBHSA-N 1 3 317.477 2.139 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1)N(C)C ZINC001399944097 1161614767 /nfs/dbraw/zinc/61/47/67/1161614767.db2.gz ZMKQGGLDUIFRQJ-ROUUACIJSA-N 1 3 317.477 2.273 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(C)c2)C1)N(C)C ZINC001399944097 1161614768 /nfs/dbraw/zinc/61/47/68/1161614768.db2.gz ZMKQGGLDUIFRQJ-ROUUACIJSA-N 1 3 317.477 2.273 20 0 DEADHO C[NH+](C)CCCC(=O)NCCC1CCN(C/C=C/Cl)CC1 ZINC001401073799 1161867690 /nfs/dbraw/zinc/86/76/90/1161867690.db2.gz BBALYJWYYUXVLU-RUDMXATFSA-N 1 3 315.889 2.299 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]Cc2cc(F)ccc2C)CC1)N(C)C ZINC001401959186 1162197707 /nfs/dbraw/zinc/19/77/07/1162197707.db2.gz VPTLHJUPRVZGIR-MRXNPFEDSA-N 1 3 321.440 2.213 20 0 DEADHO C[C@H](NC1(CNC(=O)CCC[NH+](C)C)CC1)c1cccc(F)c1 ZINC001402027380 1162220667 /nfs/dbraw/zinc/22/06/67/1162220667.db2.gz LLIBDHAAYKDGOD-AWEZNQCLSA-N 1 3 321.440 2.467 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1CCCN(Cc2ccccc2C)C1 ZINC001402093517 1162244979 /nfs/dbraw/zinc/24/49/79/1162244979.db2.gz SVWJDSJHBLPGJI-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCCN(Cc2ccccc2C)C1 ZINC001402093517 1162244983 /nfs/dbraw/zinc/24/49/83/1162244983.db2.gz SVWJDSJHBLPGJI-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CC2CC(C)(C)C2)C[C@@H]1C ZINC001403785297 1163184246 /nfs/dbraw/zinc/18/42/46/1163184246.db2.gz WRQBIEYHRFNUTM-HOCLYGCPSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001404547856 1163703251 /nfs/dbraw/zinc/70/32/51/1163703251.db2.gz LZXGPEZSOWWWNF-GOSISDBHSA-N 1 3 317.477 2.355 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001404547856 1163703253 /nfs/dbraw/zinc/70/32/53/1163703253.db2.gz LZXGPEZSOWWWNF-GOSISDBHSA-N 1 3 317.477 2.355 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1(C[NH2+]CC2CCC2)CCCC1 ZINC001405419154 1164080647 /nfs/dbraw/zinc/08/06/47/1164080647.db2.gz KBGVELCTJHKEBV-UHFFFAOYSA-N 1 3 304.438 2.079 20 0 DEADHO CC[N@H+](CCNC(=O)C(C)(C)N1CCCCC1)CCC1CC1 ZINC001492950871 1164562040 /nfs/dbraw/zinc/56/20/40/1164562040.db2.gz AEVWHEKXWYFHRS-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CC[N@@H+](CCNC(=O)C(C)(C)N1CCCCC1)CCC1CC1 ZINC001492950871 1164562051 /nfs/dbraw/zinc/56/20/51/1164562051.db2.gz AEVWHEKXWYFHRS-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H](C)CNCc1sccc1Cl ZINC001406420373 1164585542 /nfs/dbraw/zinc/58/55/42/1164585542.db2.gz GBGDDEKAWPQSMT-LLVKDONJSA-N 1 3 317.886 2.338 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(CF)cc1 ZINC001406433549 1164597151 /nfs/dbraw/zinc/59/71/51/1164597151.db2.gz QTRAVEYTGCVCSH-CQSZACIVSA-N 1 3 309.429 2.091 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1)N(C)C ZINC001406506581 1164644288 /nfs/dbraw/zinc/64/42/88/1164644288.db2.gz ZSKUEMIRBRCBSP-HEHGZKQESA-N 1 3 309.429 2.321 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]Cc1cccc(Cl)c1 ZINC001406555932 1164675065 /nfs/dbraw/zinc/67/50/65/1164675065.db2.gz HLPSDLKAIJIEKX-ZDUSSCGKSA-N 1 3 311.857 2.275 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1cccc(C)c1)C1CC1)N(C)C ZINC001406796579 1164832055 /nfs/dbraw/zinc/83/20/55/1164832055.db2.gz PQFUKPRJAYUODP-ROUUACIJSA-N 1 3 317.477 2.320 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CCN1CC1CCCC1)[NH+]1CCCC1 ZINC001406896847 1164874054 /nfs/dbraw/zinc/87/40/54/1164874054.db2.gz OEIFZAMABAVMMS-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]CC2CC(C)C2)CC1 ZINC001406915580 1164882460 /nfs/dbraw/zinc/88/24/60/1164882460.db2.gz FCBZZKCBYHYYNE-GPANFISMSA-N 1 3 307.482 2.144 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccsc2)C1 ZINC001407516493 1165178370 /nfs/dbraw/zinc/17/83/70/1165178370.db2.gz GBDOKTIYQTVDAL-HOCLYGCPSA-N 1 3 323.506 2.417 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCC1 ZINC001407822242 1165329926 /nfs/dbraw/zinc/32/99/26/1165329926.db2.gz DSSJLRHWYAKRBP-UHFFFAOYSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccsc2)C1 ZINC001408080501 1165467245 /nfs/dbraw/zinc/46/72/45/1165467245.db2.gz CJCJRDPALAFRDN-DZGCQCFKSA-N 1 3 309.479 2.025 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC001408350771 1165606599 /nfs/dbraw/zinc/60/65/99/1165606599.db2.gz BQGIBFBAMMUVPC-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H]2CC[N@H+](C(C)C)C2)C1 ZINC001408350771 1165606606 /nfs/dbraw/zinc/60/66/06/1165606606.db2.gz BQGIBFBAMMUVPC-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001417962413 1167330318 /nfs/dbraw/zinc/33/03/18/1167330318.db2.gz NYFQFYYPRXYURM-VCDPDADVSA-N 1 3 313.873 2.051 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCC1CC1)N(C)C ZINC001418166426 1167455155 /nfs/dbraw/zinc/45/51/55/1167455155.db2.gz WFUPGEPVSLRPHV-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CCCC[N@H+]1CCC1CC1)N(C)C ZINC001418166426 1167455162 /nfs/dbraw/zinc/45/51/62/1167455162.db2.gz WFUPGEPVSLRPHV-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1cc(C)cc(C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001418238518 1167510334 /nfs/dbraw/zinc/51/03/34/1167510334.db2.gz KLRFNAZUEVVQAV-WMZOPIPTSA-N 1 3 319.493 2.484 20 0 DEADHO Cc1ccc(F)cc1C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001418270550 1167536288 /nfs/dbraw/zinc/53/62/88/1167536288.db2.gz QKGGDXZGIDDLMT-WMLDXEAASA-N 1 3 323.456 2.315 20 0 DEADHO CC1CC(C[NH2+][C@H]2C[C@H](CNC(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001418696896 1167892184 /nfs/dbraw/zinc/89/21/84/1167892184.db2.gz IFCFKXFEXKANLT-GWEOLNPGSA-N 1 3 323.525 2.495 20 0 DEADHO C[NH+](C)CCCC(=O)NC[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001418703326 1167897170 /nfs/dbraw/zinc/89/71/70/1167897170.db2.gz UAABXKGZJRIYRM-HAQNSBGRSA-N 1 3 322.280 2.132 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CC(C)C ZINC001418738275 1167930033 /nfs/dbraw/zinc/93/00/33/1167930033.db2.gz JKLGATGPHJHDRD-MHORFTMASA-N 1 3 321.509 2.153 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CC(C)C ZINC001418738275 1167930042 /nfs/dbraw/zinc/93/00/42/1167930042.db2.gz JKLGATGPHJHDRD-MHORFTMASA-N 1 3 321.509 2.153 20 0 DEADHO CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C)N(CC)CC ZINC001418863342 1168018556 /nfs/dbraw/zinc/01/85/56/1168018556.db2.gz AHHUHEWAPBEDJT-IXDOHACOSA-N 1 3 309.498 2.438 20 0 DEADHO CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C)N(CC)CC ZINC001418863342 1168018560 /nfs/dbraw/zinc/01/85/60/1168018560.db2.gz AHHUHEWAPBEDJT-IXDOHACOSA-N 1 3 309.498 2.438 20 0 DEADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001419274764 1168366636 /nfs/dbraw/zinc/36/66/36/1168366636.db2.gz RGCMMISGLZZGGH-ZIAGYGMSSA-N 1 3 319.440 2.246 20 0 DEADHO CC[C@H](C)C[N@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001419337037 1168409759 /nfs/dbraw/zinc/40/97/59/1168409759.db2.gz QPNGRWGNJQLBCE-LSDHHAIUSA-N 1 3 306.454 2.169 20 0 DEADHO CC[C@H](C)C[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001419337037 1168409762 /nfs/dbraw/zinc/40/97/62/1168409762.db2.gz QPNGRWGNJQLBCE-LSDHHAIUSA-N 1 3 306.454 2.169 20 0 DEADHO CCCN(C)CC(=O)NC1CCC([NH2+]C/C=C\Cl)CC1 ZINC001419680083 1168800387 /nfs/dbraw/zinc/80/03/87/1168800387.db2.gz ITIOYLHLFYDBIN-WTKPLQERSA-N 1 3 301.862 2.098 20 0 DEADHO C[C@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CCc1ccccc1 ZINC001420133739 1169186837 /nfs/dbraw/zinc/18/68/37/1169186837.db2.gz VCJHHMCVIYHYFA-DLBZAZTESA-N 1 3 317.477 2.055 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCC2CC2)C1 ZINC001420942842 1171368984 /nfs/dbraw/zinc/36/89/84/1171368984.db2.gz BCNOKDXBPFAPOO-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCC2CC2)C1 ZINC001420942842 1171368990 /nfs/dbraw/zinc/36/89/90/1171368990.db2.gz BCNOKDXBPFAPOO-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]C[C@@H]2CCC(F)(F)C2)CC1)N(C)C ZINC001420952608 1171375423 /nfs/dbraw/zinc/37/54/23/1171375423.db2.gz IOXFETLHKTWHQC-CHWSQXEVSA-N 1 3 317.424 2.000 20 0 DEADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCc1ccccc1F ZINC001422038777 1172248441 /nfs/dbraw/zinc/24/84/41/1172248441.db2.gz HSHSSIKJKOMSIC-WMLDXEAASA-N 1 3 321.440 2.104 20 0 DEADHO CCCN(C)CC(=O)N1CCC(C)([NH2+]C[C@H](F)CC)CC1 ZINC001422069674 1172273399 /nfs/dbraw/zinc/27/33/99/1172273399.db2.gz URNRYGAUPGQVIV-CQSZACIVSA-N 1 3 301.450 2.047 20 0 DEADHO CCCCN1CCc2ccccc2[C@@H]1CNC(=O)CC[NH+](C)C ZINC001422179341 1172375023 /nfs/dbraw/zinc/37/50/23/1172375023.db2.gz SQFWGMNMTGNZDF-SFHVURJKSA-N 1 3 317.477 2.454 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)CN(C)C(C)C ZINC001423172307 1173142781 /nfs/dbraw/zinc/14/27/81/1173142781.db2.gz OMDNBGITJFWCLI-INIZCTEOSA-N 1 3 305.466 2.272 20 0 DEADHO CCN1CCC[C@@H]1C[N@H+](CCN(C)C)CC1CCSCC1 ZINC001423194707 1173159959 /nfs/dbraw/zinc/15/99/59/1173159959.db2.gz INVTYIOZEPDMAY-QGZVFWFLSA-N 1 3 313.555 2.478 20 0 DEADHO CCN1CCC[C@@H]1C[N@@H+](CCN(C)C)CC1CCSCC1 ZINC001423194707 1173159963 /nfs/dbraw/zinc/15/99/63/1173159963.db2.gz INVTYIOZEPDMAY-QGZVFWFLSA-N 1 3 313.555 2.478 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCCN1Cc1ccccc1 ZINC001423377055 1173316230 /nfs/dbraw/zinc/31/62/30/1173316230.db2.gz WFZXZXUTPTZOJO-WBVHZDCISA-N 1 3 303.450 2.107 20 0 DEADHO CN(C(=O)CCC[NH+](C)C)C1CC(NCC=C(Cl)Cl)C1 ZINC001423694629 1173496263 /nfs/dbraw/zinc/49/62/63/1173496263.db2.gz XQNWWFPYQWGEBJ-UHFFFAOYSA-N 1 3 322.280 2.226 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@@H+](CC[C@@H](C)F)CC1 ZINC001424275972 1173732640 /nfs/dbraw/zinc/73/26/40/1173732640.db2.gz GTZMISIMANAMEF-CABCVRRESA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@H+](CC[C@@H](C)F)CC1 ZINC001424275972 1173732646 /nfs/dbraw/zinc/73/26/46/1173732646.db2.gz GTZMISIMANAMEF-CABCVRRESA-N 1 3 301.450 2.045 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[N@H+](C)CC[C@@H](C)F ZINC001424338968 1173765633 /nfs/dbraw/zinc/76/56/33/1173765633.db2.gz IBDGQBHEYPAGCE-HZPDHXFCSA-N 1 3 315.477 2.389 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[N@@H+](C)CC[C@@H](C)F ZINC001424338968 1173765636 /nfs/dbraw/zinc/76/56/36/1173765636.db2.gz IBDGQBHEYPAGCE-HZPDHXFCSA-N 1 3 315.477 2.389 20 0 DEADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+][C@H]1CCc2ccccc21)N(C)C ZINC001424582145 1173840669 /nfs/dbraw/zinc/84/06/69/1173840669.db2.gz FBAKDGBDNMVJIJ-JCGIZDLHSA-N 1 3 317.477 2.499 20 0 DEADHO CCCN(C)CC(=O)NC1CC(C[NH2+]Cc2ccc(F)cc2)C1 ZINC001424757891 1173905702 /nfs/dbraw/zinc/90/57/02/1173905702.db2.gz YLHXQJIXVSDPLL-UHFFFAOYSA-N 1 3 321.440 2.152 20 0 DEADHO CC(C)[C@@H](CCN(C)C(=O)Cc1c[nH]cn1)[NH2+]C/C=C\Cl ZINC001425146570 1174195740 /nfs/dbraw/zinc/19/57/40/1174195740.db2.gz DBAALNCUEKRXPL-KXQLTZBTSA-N 1 3 312.845 2.167 20 0 DEADHO C[N@@H+]1C[C@@]23CN(CCC(=O)N4CCCCC4)C[C@]2(C1)CCCC3 ZINC001434494620 1178668145 /nfs/dbraw/zinc/66/81/45/1178668145.db2.gz IFCYEOPXJCSXOD-KDURUIRLSA-N 1 3 319.493 2.197 20 0 DEADHO C[N@H+]1C[C@@]23CN(CCC(=O)N4CCCCC4)C[C@]2(C1)CCCC3 ZINC001434494620 1178668152 /nfs/dbraw/zinc/66/81/52/1178668152.db2.gz IFCYEOPXJCSXOD-KDURUIRLSA-N 1 3 319.493 2.197 20 0 DEADHO Cn1cc([C@@H]2C[C@H]2CN2CCC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC001434519518 1178744068 /nfs/dbraw/zinc/74/40/68/1178744068.db2.gz DZVGWQQDRWHNAG-CGTJXYLNSA-N 1 3 302.466 2.474 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C/C=C\Cl)C1 ZINC001436383371 1179072761 /nfs/dbraw/zinc/07/27/61/1179072761.db2.gz DVFQCOLBDHSRJM-AGWXYYIZSA-N 1 3 313.873 2.098 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CCC[N@H+](CCC2CC2)C1)N1CCCC1 ZINC001436992039 1179336656 /nfs/dbraw/zinc/33/66/56/1179336656.db2.gz BPJXNWHLIOXYBL-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CCC[N@@H+](CCC2CC2)C1)N1CCCC1 ZINC001436992039 1179336666 /nfs/dbraw/zinc/33/66/66/1179336666.db2.gz BPJXNWHLIOXYBL-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001437153931 1179493647 /nfs/dbraw/zinc/49/36/47/1179493647.db2.gz KFBFBCHQFCRANA-AEFFLSMTSA-N 1 3 317.477 2.464 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001437240393 1179630459 /nfs/dbraw/zinc/63/04/59/1179630459.db2.gz CRLCRSNZIXSNAT-CYBMUJFWSA-N 1 3 318.465 2.325 20 0 DEADHO CC(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001437339727 1179738414 /nfs/dbraw/zinc/73/84/14/1179738414.db2.gz WUZXDZJDYJSMBR-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001437339727 1179738430 /nfs/dbraw/zinc/73/84/30/1179738430.db2.gz WUZXDZJDYJSMBR-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]([NH2+]CC(C)C)c1ccccc1)N(C)C ZINC001437871542 1180038809 /nfs/dbraw/zinc/03/88/09/1180038809.db2.gz LGPDVYGSLKOKCW-IAGOWNOFSA-N 1 3 305.466 2.430 20 0 DEADHO CC1CC(C[N@@H+]2CC[C@H](CCNC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001437922739 1180083190 /nfs/dbraw/zinc/08/31/90/1180083190.db2.gz JKZUKCYCQPIJPN-CGZBRXJRSA-N 1 3 321.509 2.345 20 0 DEADHO CC1CC(C[N@H+]2CC[C@H](CCNC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001437922739 1180083197 /nfs/dbraw/zinc/08/31/97/1180083197.db2.gz JKZUKCYCQPIJPN-CGZBRXJRSA-N 1 3 321.509 2.345 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCC1C[NH+](CCCC(C)C)C1 ZINC001438122032 1180206166 /nfs/dbraw/zinc/20/61/66/1180206166.db2.gz RAUKYSNILUERAO-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCC2)C1)N1CCCCC1 ZINC001438197815 1180233792 /nfs/dbraw/zinc/23/37/92/1180233792.db2.gz CQXUPMVVYSWDCB-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CCC2)C1)N1CCCCC1 ZINC001438197815 1180233798 /nfs/dbraw/zinc/23/37/98/1180233798.db2.gz CQXUPMVVYSWDCB-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]C/C=C\Cl)C1 ZINC001438761556 1180806698 /nfs/dbraw/zinc/80/66/98/1180806698.db2.gz BVLRYCMLKMWUIS-NEFCLYRVSA-N 1 3 315.889 2.296 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)CC[N@H+](C)CC2CC(C)(C)C2)C1 ZINC001438914435 1180848994 /nfs/dbraw/zinc/84/89/94/1180848994.db2.gz CMONOTGTZSMUMU-HNNXBMFYSA-N 1 3 309.498 2.155 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)CC[N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001438914435 1180848996 /nfs/dbraw/zinc/84/89/96/1180848996.db2.gz CMONOTGTZSMUMU-HNNXBMFYSA-N 1 3 309.498 2.155 20 0 DEADHO CN(CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC1CC1)CC(C)(C)C ZINC001438961636 1180865286 /nfs/dbraw/zinc/86/52/86/1180865286.db2.gz LOXYBQTVUATSDS-HOTGVXAUSA-N 1 3 309.498 2.249 20 0 DEADHO C[C@H](C[N@H+](C)CC1CC2(CCC2)C1)NC(=O)CN(C)C1CCC1 ZINC001439333374 1181027769 /nfs/dbraw/zinc/02/77/69/1181027769.db2.gz RBICRUSNIZQLOZ-OAHLLOKOSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](C[N@@H+](C)CC1CC2(CCC2)C1)NC(=O)CN(C)C1CCC1 ZINC001439333374 1181027775 /nfs/dbraw/zinc/02/77/75/1181027775.db2.gz RBICRUSNIZQLOZ-OAHLLOKOSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](NC1(CNC(=O)CCC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001439640410 1181181317 /nfs/dbraw/zinc/18/13/17/1181181317.db2.gz PSVCPTXLRATCJA-AWEZNQCLSA-N 1 3 321.440 2.467 20 0 DEADHO C[C@H]([NH2+]CCF)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001440130772 1181362820 /nfs/dbraw/zinc/36/28/20/1181362820.db2.gz XUALUWZBCTWQQQ-WMLDXEAASA-N 1 3 321.440 2.158 20 0 DEADHO CC(C)C[C@@H](C)C[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001440148228 1181366644 /nfs/dbraw/zinc/36/66/44/1181366644.db2.gz IHHXBUZJXUPEQT-OAGGEKHMSA-N 1 3 318.465 2.025 20 0 DEADHO CC(C)C[C@@H](C)C[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001440148228 1181366652 /nfs/dbraw/zinc/36/66/52/1181366652.db2.gz IHHXBUZJXUPEQT-OAGGEKHMSA-N 1 3 318.465 2.025 20 0 DEADHO CCCN(C)CC(=O)NC1CC(C[NH2+]CC2CCCCC2)C1 ZINC001440762639 1181679245 /nfs/dbraw/zinc/67/92/45/1181679245.db2.gz ZFMORHNDVSRIIE-UHFFFAOYSA-N 1 3 309.498 2.393 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001440997827 1181820115 /nfs/dbraw/zinc/82/01/15/1181820115.db2.gz KGEUPIWLOJFYPH-MAUKXSAKSA-N 1 3 317.477 2.452 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001440997827 1181820116 /nfs/dbraw/zinc/82/01/16/1181820116.db2.gz KGEUPIWLOJFYPH-MAUKXSAKSA-N 1 3 317.477 2.452 20 0 DEADHO CC[C@H](F)C[N@H+](C)C[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001441302218 1181937976 /nfs/dbraw/zinc/93/79/76/1181937976.db2.gz ZUMSHMDHRHLIGY-HOTGVXAUSA-N 1 3 315.477 2.245 20 0 DEADHO CC[C@H](F)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001441302218 1181937979 /nfs/dbraw/zinc/93/79/79/1181937979.db2.gz ZUMSHMDHRHLIGY-HOTGVXAUSA-N 1 3 315.477 2.245 20 0 DEADHO CC(C)N(C)CC(=O)N1CC2(C1)CCC[N@H+](CC1CC(C)C1)C2 ZINC001441342500 1181950544 /nfs/dbraw/zinc/95/05/44/1181950544.db2.gz YIJLKDXYNKOXEU-UHFFFAOYSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N1CC2(C1)CCC[N@@H+](CC1CC(C)C1)C2 ZINC001441342500 1181950548 /nfs/dbraw/zinc/95/05/48/1181950548.db2.gz YIJLKDXYNKOXEU-UHFFFAOYSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2)C1)N(C)C ZINC001441486323 1182019123 /nfs/dbraw/zinc/01/91/23/1182019123.db2.gz VBUOYXQWSOFFNP-OWCLPIDISA-N 1 3 323.868 2.417 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001441658556 1182117007 /nfs/dbraw/zinc/11/70/07/1182117007.db2.gz OGTKMKBVZPVCOA-ZIAGYGMSSA-N 1 3 319.440 2.199 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CC1)N1CCCC1 ZINC001442838449 1182736912 /nfs/dbraw/zinc/73/69/12/1182736912.db2.gz CKAFMSPQRGEIDU-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CCC1CC1)N1CCCC1 ZINC001442838449 1182736926 /nfs/dbraw/zinc/73/69/26/1182736926.db2.gz CKAFMSPQRGEIDU-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CCCC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001442874227 1182759261 /nfs/dbraw/zinc/75/92/61/1182759261.db2.gz AOPWWWPMSZSKLG-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO CCCC[N@H+]1CC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001442874227 1182759270 /nfs/dbraw/zinc/75/92/70/1182759270.db2.gz AOPWWWPMSZSKLG-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCCN1C)c1cccc(F)c1 ZINC001443093913 1182846236 /nfs/dbraw/zinc/84/62/36/1182846236.db2.gz BQDJDNIUQOMJOU-XJKSGUPXSA-N 1 3 307.413 2.029 20 0 DEADHO CC[C@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CC(C)C ZINC001443986051 1183242282 /nfs/dbraw/zinc/24/22/82/1183242282.db2.gz PMBILAFHZVJWMF-RHSMWYFYSA-N 1 3 315.477 2.339 20 0 DEADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCc1ccccc1 ZINC001443990677 1183244234 /nfs/dbraw/zinc/24/42/34/1183244234.db2.gz VHJBSEODADOOJR-FUHWJXTLSA-N 1 3 317.477 2.055 20 0 DEADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+]Cc1ccccc1 ZINC001444325347 1183347445 /nfs/dbraw/zinc/34/74/45/1183347445.db2.gz KLPNXZMXZBEVLG-OAHLLOKOSA-N 1 3 303.450 2.013 20 0 DEADHO C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]1CNC/C(Cl)=C/Cl ZINC001445114904 1183780968 /nfs/dbraw/zinc/78/09/68/1183780968.db2.gz PYTZNWNIDNMGDP-KCWVNHISSA-N 1 3 322.280 2.132 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)CC[NH2+][C@H]1CCc2ccccc21 ZINC001445311023 1183830476 /nfs/dbraw/zinc/83/04/76/1183830476.db2.gz SQGWWYRJPQLPFL-QAPCUYQASA-N 1 3 317.477 2.499 20 0 DEADHO Cc1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001445482232 1183884325 /nfs/dbraw/zinc/88/43/25/1183884325.db2.gz ODHVGWJLUIIMHP-WBVHZDCISA-N 1 3 305.466 2.176 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+]C[C@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001445653833 1183955544 /nfs/dbraw/zinc/95/55/44/1183955544.db2.gz GGGDOTGDNOOZGU-JKSUJKDBSA-N 1 3 305.466 2.491 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CCC1CC1 ZINC001445820795 1184073344 /nfs/dbraw/zinc/07/33/44/1184073344.db2.gz VARUMQQJAJGSSQ-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)CCC1CC1 ZINC001445820795 1184073349 /nfs/dbraw/zinc/07/33/49/1184073349.db2.gz VARUMQQJAJGSSQ-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO Cc1cccc(C[NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C2CC2)c1 ZINC001446025393 1184186528 /nfs/dbraw/zinc/18/65/28/1184186528.db2.gz ZVWKRCQJXQVMAU-GOSISDBHSA-N 1 3 317.477 2.320 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1CCN1CCC1CC1)[NH+]1CCCCCC1 ZINC001446095282 1184223450 /nfs/dbraw/zinc/22/34/50/1184223450.db2.gz GMUWBAHRLJPFTI-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001446268346 1184291316 /nfs/dbraw/zinc/29/13/16/1184291316.db2.gz RHXANWGAHIUYGL-UHFFFAOYSA-N 1 3 316.449 2.079 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2(NC/C=C\Cl)CC2)C1 ZINC001446269531 1184292550 /nfs/dbraw/zinc/29/25/50/1184292550.db2.gz YJCTVTZCHWSZGU-WOHRWDJGSA-N 1 3 313.873 2.098 20 0 DEADHO CCCN(C)CC(=O)NC1(C)CC[NH+](CC[C@H](C)F)CC1 ZINC001446474364 1184364223 /nfs/dbraw/zinc/36/42/23/1184364223.db2.gz AKMJCACSORUKTN-AWEZNQCLSA-N 1 3 301.450 2.047 20 0 DEADHO CCCN(C)CC(=O)NC1(C)CC[NH+](CC[C@@H](C)F)CC1 ZINC001446474382 1184364692 /nfs/dbraw/zinc/36/46/92/1184364692.db2.gz AKMJCACSORUKTN-CQSZACIVSA-N 1 3 301.450 2.047 20 0 DEADHO CC(C)N(C)CC(=O)NC1(C)CC[NH+](CC2CC(C)C2)CC1 ZINC001446478505 1184365428 /nfs/dbraw/zinc/36/54/28/1184365428.db2.gz PRGGUTYQLDHNRG-UHFFFAOYSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC001447307372 1184714801 /nfs/dbraw/zinc/71/48/01/1184714801.db2.gz VUQVFXUABVEJEL-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC001447307372 1184714807 /nfs/dbraw/zinc/71/48/07/1184714807.db2.gz VUQVFXUABVEJEL-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CCc1ccccc1)N(C)C ZINC001448031845 1185034919 /nfs/dbraw/zinc/03/49/19/1185034919.db2.gz AIQMVLKOJOGMAV-AEFFLSMTSA-N 1 3 319.493 2.252 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CCc1ccccc1)N(C)C ZINC001448031845 1185034925 /nfs/dbraw/zinc/03/49/25/1185034925.db2.gz AIQMVLKOJOGMAV-AEFFLSMTSA-N 1 3 319.493 2.252 20 0 DEADHO CC(C)CCC[NH+]1CC([C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001448310356 1185157282 /nfs/dbraw/zinc/15/72/82/1185157282.db2.gz AGIZNNOUEHXAJB-WBVHZDCISA-N 1 3 311.514 2.445 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C1C[NH+](CCc2cccs2)C1)N(C)C ZINC001448324638 1185163407 /nfs/dbraw/zinc/16/34/07/1185163407.db2.gz XKOJNCPDZLKTGJ-CJNGLKHVSA-N 1 3 323.506 2.067 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CC(C)C)C1CC1 ZINC001448606411 1185318675 /nfs/dbraw/zinc/31/86/75/1185318675.db2.gz YPVVRZUAIHYKTN-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H]1CN(C)CCCN1C(=O)C1CC[NH+](CC(C)C)CC1 ZINC001448717037 1185381351 /nfs/dbraw/zinc/38/13/51/1185381351.db2.gz ABXBPBIJYHZPGS-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC001449062656 1185513655 /nfs/dbraw/zinc/51/36/55/1185513655.db2.gz NLOWICGWZYFDAE-QZTJIDSGSA-N 1 3 317.477 2.401 20 0 DEADHO C[C@H](NC(=O)C(C)(C)N1CCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001449375517 1185686078 /nfs/dbraw/zinc/68/60/78/1185686078.db2.gz UTCPMASSIFJYJC-HNNXBMFYSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1c[nH+]c(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)cc1N ZINC001164735697 720428760 /nfs/dbraw/zinc/42/87/60/720428760.db2.gz XORXEJMXALHVTF-IRXDYDNUSA-N 1 3 309.417 2.220 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccc(C)cc2)C1)N(C)C ZINC001370710946 1149828740 /nfs/dbraw/zinc/82/87/40/1149828740.db2.gz HPRJGALEZZPMCC-KSZLIROESA-N 1 3 317.477 2.115 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2C[N@H+](C)CC2CCC2)C1 ZINC001089227376 782293723 /nfs/dbraw/zinc/29/37/23/782293723.db2.gz SCEBQBVCGHFKCW-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2C[N@@H+](C)CC2CCC2)C1 ZINC001089227376 782293729 /nfs/dbraw/zinc/29/37/29/782293729.db2.gz SCEBQBVCGHFKCW-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO O=C(NCCNC/C=C/Cl)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127345174 782733488 /nfs/dbraw/zinc/73/34/88/782733488.db2.gz XXXDLDSPUSUDOK-PXYYCUNGSA-N 1 3 313.873 2.099 20 0 DEADHO O=C(NCCNC/C=C/Cl)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127345174 782733490 /nfs/dbraw/zinc/73/34/90/782733490.db2.gz XXXDLDSPUSUDOK-PXYYCUNGSA-N 1 3 313.873 2.099 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CC[N@H+](CC2CC2)CC(C)(C)C1 ZINC001089492426 783157979 /nfs/dbraw/zinc/15/79/79/783157979.db2.gz JZEWFZIBBFZOGS-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1 ZINC001089492426 783157991 /nfs/dbraw/zinc/15/79/91/783157991.db2.gz JZEWFZIBBFZOGS-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](CC1CCCC1)C2)N(C)C ZINC001072989404 790359287 /nfs/dbraw/zinc/35/92/87/790359287.db2.gz HTFDBLBBQPMINP-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CC1CCCC1)C2)N(C)C ZINC001072989404 790359299 /nfs/dbraw/zinc/35/92/99/790359299.db2.gz HTFDBLBBQPMINP-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001073035825 790409195 /nfs/dbraw/zinc/40/91/95/790409195.db2.gz VNQVVAMYDSBGHQ-KRWDZBQOSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001073035825 790409198 /nfs/dbraw/zinc/40/91/98/790409198.db2.gz VNQVVAMYDSBGHQ-KRWDZBQOSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1C[NH2+]CC1CC1 ZINC001075332877 776552651 /nfs/dbraw/zinc/55/26/51/776552651.db2.gz ISUOUIFAGUXVFY-NVXWUHKLSA-N 1 3 321.509 2.203 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCC3CCCC3)C[C@H]21 ZINC001114991965 777424264 /nfs/dbraw/zinc/42/42/64/777424264.db2.gz MNOCECZAOLUHNI-DZFIZOCASA-N 1 3 321.509 2.345 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC3CCCC3)C[C@H]21 ZINC001114991965 777424267 /nfs/dbraw/zinc/42/42/67/777424267.db2.gz MNOCECZAOLUHNI-DZFIZOCASA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CC2)C1)N(C)C ZINC001104641168 777989736 /nfs/dbraw/zinc/98/97/36/777989736.db2.gz COOGPSVFNUTQMF-DJIMGWMZSA-N 1 3 309.498 2.057 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C/C=C\Cl)C1 ZINC001105066742 778322799 /nfs/dbraw/zinc/32/27/99/778322799.db2.gz DIOUFYJYAOLJGT-JFOCPDPESA-N 1 3 315.889 2.153 20 0 DEADHO [NH3+][C@H]1CCc2c3ccccc3n(-c3ccc4c(n3)CNCC4)c2C1 ZINC001171097444 790634257 /nfs/dbraw/zinc/63/42/57/790634257.db2.gz UYPKXGRAYMGFGW-AWEZNQCLSA-N 1 3 318.424 2.487 20 0 DEADHO COC(=O)[C@@H]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167968607 779123652 /nfs/dbraw/zinc/12/36/52/779123652.db2.gz TWRZAHISQVDULA-DQIHPLBOSA-N 1 3 306.450 2.323 20 0 DEADHO COC(=O)[C@@H]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167968607 779123655 /nfs/dbraw/zinc/12/36/55/779123655.db2.gz TWRZAHISQVDULA-DQIHPLBOSA-N 1 3 306.450 2.323 20 0 DEADHO CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001105396500 779373490 /nfs/dbraw/zinc/37/34/90/779373490.db2.gz NLXYVWGDGSJMEB-GOSISDBHSA-N 1 3 321.509 2.440 20 0 DEADHO CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001105396500 779373495 /nfs/dbraw/zinc/37/34/95/779373495.db2.gz NLXYVWGDGSJMEB-GOSISDBHSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@@H]2C1 ZINC001087993144 779619279 /nfs/dbraw/zinc/61/92/79/779619279.db2.gz BONZMNQBILGCSM-SQNIBIBYSA-N 1 3 319.493 2.073 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@@H]2C1 ZINC001087993144 779619286 /nfs/dbraw/zinc/61/92/86/779619286.db2.gz BONZMNQBILGCSM-SQNIBIBYSA-N 1 3 319.493 2.073 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CC2CCC2)C1)C1CC1 ZINC001088326654 779957992 /nfs/dbraw/zinc/95/79/92/779957992.db2.gz UTURNJSOFZETOC-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC1CC(C[NH2+][C@@H]2CCCCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001088390684 780062774 /nfs/dbraw/zinc/06/27/74/780062774.db2.gz SKUWTLADXLPGGT-UYSNPLJNSA-N 1 3 318.465 2.359 20 0 DEADHO CC1(Nc2cccc3cc([C@H]4CNCCO4)cn32)CC[NH2+]CC1 ZINC001168188446 780419781 /nfs/dbraw/zinc/41/97/81/780419781.db2.gz WLJCQCSSWVBKAY-MRXNPFEDSA-N 1 3 314.433 2.154 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC2CC2)[C@@H]1C ZINC001088692956 780827413 /nfs/dbraw/zinc/82/74/13/780827413.db2.gz GHQHTYUASCZDDP-BPQIPLTHSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CC2)[C@@H]1C ZINC001088692956 780827446 /nfs/dbraw/zinc/82/74/46/780827446.db2.gz GHQHTYUASCZDDP-BPQIPLTHSA-N 1 3 321.509 2.486 20 0 DEADHO Cc1cnc(N2CCN(C3CCC([NH+](C)C)CC3)CC2)s1 ZINC001168324676 780840106 /nfs/dbraw/zinc/84/01/06/780840106.db2.gz UQVMXHWXEFONHP-UHFFFAOYSA-N 1 3 308.495 2.446 20 0 DEADHO C[C@@H](CCN[C@@H]1CCN(C(=O)OCc2ccccc2)C1)[NH+](C)C ZINC000697839238 780951964 /nfs/dbraw/zinc/95/19/64/780951964.db2.gz ROROEVQIZHSUAX-DOTOQJQBSA-N 1 3 319.449 2.327 20 0 DEADHO CCC(=O)N(C)C1CC[NH+](C2CCN(CC3CC3)CC2)CC1 ZINC001168394764 781787738 /nfs/dbraw/zinc/78/77/38/781787738.db2.gz GIKZPJVSGJQWMA-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCCNCc2cc(F)ccc2C)CC[N@@H+]1C ZINC001127690535 783534061 /nfs/dbraw/zinc/53/40/61/783534061.db2.gz MZDQWTNYIASNDM-DLBZAZTESA-N 1 3 321.440 2.070 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCCNCc2cc(F)ccc2C)CC[N@H+]1C ZINC001127690535 783534068 /nfs/dbraw/zinc/53/40/68/783534068.db2.gz MZDQWTNYIASNDM-DLBZAZTESA-N 1 3 321.440 2.070 20 0 DEADHO C[C@H]1CC[N@H+](CCCF)C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000967708437 784098806 /nfs/dbraw/zinc/09/88/06/784098806.db2.gz SDUCMLYWMUAPCO-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H]1CC[N@@H+](CCCF)C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000967708437 784098811 /nfs/dbraw/zinc/09/88/11/784098811.db2.gz SDUCMLYWMUAPCO-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO CN(C[C@@H]1CCN1CCCC1CCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001085973353 784278054 /nfs/dbraw/zinc/27/80/54/784278054.db2.gz UPJYYUSUOSQVCI-SJORKVTESA-N 1 3 307.482 2.051 20 0 DEADHO CN(C[C@@H]1CCN1CCCC1CCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001085973353 784278061 /nfs/dbraw/zinc/27/80/61/784278061.db2.gz UPJYYUSUOSQVCI-SJORKVTESA-N 1 3 307.482 2.051 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]CCC3CCCC3)C2)CCC1 ZINC000968904064 784644274 /nfs/dbraw/zinc/64/42/74/784644274.db2.gz ICNHBPKKUJTXLG-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)c1ccccc1 ZINC000968904573 784644535 /nfs/dbraw/zinc/64/45/35/784644535.db2.gz VVHDAMSHHLDSKZ-NVXWUHKLSA-N 1 3 315.461 2.422 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@H]2CCc3ccccc32)C1)N(C)C ZINC000969077038 784715651 /nfs/dbraw/zinc/71/56/51/784715651.db2.gz JOHZQNZGSUZXGD-BPQIPLTHSA-N 1 3 315.461 2.205 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001007377535 784902853 /nfs/dbraw/zinc/90/28/53/784902853.db2.gz WIAQIINQNDLYGT-BPQIPLTHSA-N 1 3 319.493 2.408 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(CC3=CCCCC3)C2)CC[N@H+]1C ZINC001007377535 784902860 /nfs/dbraw/zinc/90/28/60/784902860.db2.gz WIAQIINQNDLYGT-BPQIPLTHSA-N 1 3 319.493 2.408 20 0 DEADHO CN1CCCC[C@@H]1c1ccc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)nc1 ZINC001168811117 784925457 /nfs/dbraw/zinc/92/54/57/784925457.db2.gz HOYFQDAMCAQWMT-NVXWUHKLSA-N 1 3 311.433 2.240 20 0 DEADHO C[C@@H]1C[C@@H]([NH+]2CCC3(CN(C)C3)CC2)CN1C(=O)OC(C)(C)C ZINC001168870711 784944793 /nfs/dbraw/zinc/94/47/93/784944793.db2.gz FIDYDYCUTNZBSD-HUUCEWRRSA-N 1 3 323.481 2.412 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1CCN(C(=O)C3CCCCC3)C1)C2 ZINC001169108576 785057754 /nfs/dbraw/zinc/05/77/54/785057754.db2.gz BUTRWVBNSJPSGR-FJIDUMEYSA-N 1 3 319.493 2.382 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1CCN(C(=O)C3CCCCC3)C1)C2 ZINC001169108576 785057760 /nfs/dbraw/zinc/05/77/60/785057760.db2.gz BUTRWVBNSJPSGR-FJIDUMEYSA-N 1 3 319.493 2.382 20 0 DEADHO C[C@H](CCCC[NH2+]CC[C@H](C)F)NC(=O)C1(N(C)C)CCC1 ZINC001171236086 791081125 /nfs/dbraw/zinc/08/11/25/791081125.db2.gz KWTKIRZHSDZRDV-LSDHHAIUSA-N 1 3 315.477 2.483 20 0 DEADHO C[C@@H](CCCC[NH2+]C/C=C\Cl)NC(=O)C1(N(C)C)CCC1 ZINC001171236486 791081802 /nfs/dbraw/zinc/08/18/02/791081802.db2.gz MQOIBQITNDVHAQ-JOHMGYAOSA-N 1 3 315.889 2.488 20 0 DEADHO CC(=O)N1CCC[C@@H](N(Cc2ccccc2)C[C@H](C)C[NH3+])C1 ZINC001169585466 785265225 /nfs/dbraw/zinc/26/52/25/785265225.db2.gz ICVZBIYAKPKSSC-CRAIPNDOSA-N 1 3 303.450 2.094 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001009628631 785494892 /nfs/dbraw/zinc/49/48/92/785494892.db2.gz QMDCNYTYNHOMEH-QGZVFWFLSA-N 1 3 315.461 2.352 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001009628631 785494896 /nfs/dbraw/zinc/49/48/96/785494896.db2.gz QMDCNYTYNHOMEH-QGZVFWFLSA-N 1 3 315.461 2.352 20 0 DEADHO CC(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C1CCC1)C2 ZINC001108704170 785495481 /nfs/dbraw/zinc/49/54/81/785495481.db2.gz DCEXVCFSWBORTF-BQFCYCMXSA-N 1 3 321.509 2.486 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(C)C ZINC001109361539 785821341 /nfs/dbraw/zinc/82/13/41/785821341.db2.gz ZVUZCJSZTKZZLG-WCVJEAGWSA-N 1 3 313.461 2.044 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(C)C ZINC001109361539 785821354 /nfs/dbraw/zinc/82/13/54/785821354.db2.gz ZVUZCJSZTKZZLG-WCVJEAGWSA-N 1 3 313.461 2.044 20 0 DEADHO [NH3+]Cc1ccc2nnn(-c3ccnc(N4CCCCC4)c3)c2c1 ZINC001170023599 786073810 /nfs/dbraw/zinc/07/38/10/786073810.db2.gz HOTSBLOXBFKQOH-UHFFFAOYSA-N 1 3 308.389 2.265 20 0 DEADHO CC[C@@H](C)CN1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001113158757 786421056 /nfs/dbraw/zinc/42/10/56/786421056.db2.gz KEXVNJKHGBIIEA-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)C[C@H](C)CN1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001113538656 786668726 /nfs/dbraw/zinc/66/87/26/786668726.db2.gz ZMWQNIVUOKKVAZ-DLBZAZTESA-N 1 3 309.498 2.155 20 0 DEADHO CC(C)C[C@H](C)CN1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001113538656 786668730 /nfs/dbraw/zinc/66/87/30/786668730.db2.gz ZMWQNIVUOKKVAZ-DLBZAZTESA-N 1 3 309.498 2.155 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCNCc1cccc(F)c1 ZINC001129418151 787209235 /nfs/dbraw/zinc/20/92/35/787209235.db2.gz RGDCBGUIEJMRQV-KRWDZBQOSA-N 1 3 321.440 2.294 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCNCc1cccc(F)c1 ZINC001129418151 787209238 /nfs/dbraw/zinc/20/92/38/787209238.db2.gz RGDCBGUIEJMRQV-KRWDZBQOSA-N 1 3 321.440 2.294 20 0 DEADHO CN(C)[C@H](C(=O)NCC[NH2+]CC/C=C\c1ccccc1)C1CC1 ZINC001129443630 787215097 /nfs/dbraw/zinc/21/50/97/787215097.db2.gz LIPWTCOUAQRVCD-TWVNLXSWSA-N 1 3 315.461 2.136 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[NH2+][C@@H]1CCCc2ccccc21)N(C)C ZINC001129950731 787262692 /nfs/dbraw/zinc/26/26/92/787262692.db2.gz YPTWJMWYTHODML-MSOLQXFVSA-N 1 3 317.477 2.356 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+]Cc1ccc(F)c(Cl)c1)N(C)C ZINC001130198098 787314516 /nfs/dbraw/zinc/31/45/16/787314516.db2.gz UMSHOAIWLWNDHP-CQSZACIVSA-N 1 3 315.820 2.025 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CC[C@@H]1CCCC1(F)F ZINC001130427956 787387998 /nfs/dbraw/zinc/38/79/98/787387998.db2.gz WLQDXSCFAQLASO-ZDUSSCGKSA-N 1 3 319.440 2.248 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCNCc1ccsc1 ZINC001130713395 787462293 /nfs/dbraw/zinc/46/22/93/787462293.db2.gz MNRCRTQKZJEPQJ-OAHLLOKOSA-N 1 3 309.479 2.074 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCNCc1ccsc1 ZINC001130713395 787462297 /nfs/dbraw/zinc/46/22/97/787462297.db2.gz MNRCRTQKZJEPQJ-OAHLLOKOSA-N 1 3 309.479 2.074 20 0 DEADHO CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C2 ZINC001096101399 787506325 /nfs/dbraw/zinc/50/63/25/787506325.db2.gz TYQDMSZQKMDNMR-YVSFHVDLSA-N 1 3 307.482 2.382 20 0 DEADHO CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C2 ZINC001096101399 787506333 /nfs/dbraw/zinc/50/63/33/787506333.db2.gz TYQDMSZQKMDNMR-YVSFHVDLSA-N 1 3 307.482 2.382 20 0 DEADHO C[NH+](C)C1(CC(=O)NCCNCc2ccc(F)cc2)CCCC1 ZINC001131834574 787764911 /nfs/dbraw/zinc/76/49/11/787764911.db2.gz CYUZMROYWUEGLV-UHFFFAOYSA-N 1 3 321.440 2.296 20 0 DEADHO C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)CN1Cc1ccccc1 ZINC001132269275 787997946 /nfs/dbraw/zinc/99/79/46/787997946.db2.gz ICLMDDWDYADMBE-WMZOPIPTSA-N 1 3 317.477 2.498 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC2)C1 ZINC001086695596 788203616 /nfs/dbraw/zinc/20/36/16/788203616.db2.gz YHJWEMGWVKFDCA-BBWFWOEESA-N 1 3 307.482 2.144 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCC2CC2)C1 ZINC001133275854 788347196 /nfs/dbraw/zinc/34/71/96/788347196.db2.gz XJSKHZQSAPANTP-RDJZCZTQSA-N 1 3 309.498 2.203 20 0 DEADHO COCCN(Cc1c[nH]c2ncccc12)C1CC[NH+](C)CC1 ZINC001137402092 788348696 /nfs/dbraw/zinc/34/86/96/788348696.db2.gz OBTDAHUJIDBDGB-UHFFFAOYSA-N 1 3 302.422 2.106 20 0 DEADHO CC(C)CC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C ZINC001133346608 788376128 /nfs/dbraw/zinc/37/61/28/788376128.db2.gz NGXFKYHJKSFOQM-IRXDYDNUSA-N 1 3 311.514 2.447 20 0 DEADHO Cc1ccc(C)c(C[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001133415732 788408287 /nfs/dbraw/zinc/40/82/87/788408287.db2.gz MDVGBFNSMLDZLO-QGZVFWFLSA-N 1 3 305.466 2.095 20 0 DEADHO COc1cccc([C@@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001133433902 788428617 /nfs/dbraw/zinc/42/86/17/788428617.db2.gz CVTWOWNKFPZGSD-RHSMWYFYSA-N 1 3 321.465 2.048 20 0 DEADHO CC(C)[C@H](C(=O)NCC[NH2+][C@@H]1CCCc2ccccc21)N(C)C ZINC001133434680 788429156 /nfs/dbraw/zinc/42/91/56/788429156.db2.gz YPTWJMWYTHODML-QZTJIDSGSA-N 1 3 317.477 2.356 20 0 DEADHO CCCc1ccc(C[NH2+]CCNC(=O)CN2CCC[C@@H]2C)cc1 ZINC001133819706 788618004 /nfs/dbraw/zinc/61/80/04/788618004.db2.gz MELILYZPEWHMTO-INIZCTEOSA-N 1 3 317.477 2.329 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]CC1CCC(C)(C)CC1 ZINC001133819929 788618382 /nfs/dbraw/zinc/61/83/82/788618382.db2.gz RWDLJXPBZRVLIM-HNNXBMFYSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]CCc1ccc(Cl)cc1 ZINC001133824031 788629681 /nfs/dbraw/zinc/62/96/81/788629681.db2.gz WHTIYTVJJCCMRL-CQSZACIVSA-N 1 3 323.868 2.073 20 0 DEADHO C[C@H]([NH2+]CCNC(=O)CN1CC[C@H](C)C1)c1ccc(Cl)cc1 ZINC001133851151 788633443 /nfs/dbraw/zinc/63/34/43/788633443.db2.gz XVMLPAUIDGGKKZ-KBPBESRZSA-N 1 3 323.868 2.449 20 0 DEADHO CC1(C)CCN(CC(=O)NCC[NH2+]CCC2=CCCCC2)C1 ZINC001133896141 788662212 /nfs/dbraw/zinc/66/22/12/788662212.db2.gz DUWMGACZUHHEBU-UHFFFAOYSA-N 1 3 307.482 2.315 20 0 DEADHO C[C@H](C[C@H](C)NC(=O)CN(C)C1CCC1)[NH2+]CCC(F)(F)F ZINC001134611918 788998026 /nfs/dbraw/zinc/99/80/26/788998026.db2.gz DRSHWQBHAWVXNH-NEPJUHHUSA-N 1 3 323.403 2.296 20 0 DEADHO CCOCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)N(C)CC ZINC001134772462 789073447 /nfs/dbraw/zinc/07/34/47/789073447.db2.gz DOECKHJWNUKJRZ-GJZGRUSLSA-N 1 3 315.502 2.016 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCCOC ZINC001134773209 789073520 /nfs/dbraw/zinc/07/35/20/789073520.db2.gz NJHYCADZCINMAB-CABCVRRESA-N 1 3 315.502 2.016 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001135511077 789381187 /nfs/dbraw/zinc/38/11/87/789381187.db2.gz JIQQAZIGHXNDAA-UHFFFAOYSA-N 1 3 303.450 2.112 20 0 DEADHO CC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001136032231 789601193 /nfs/dbraw/zinc/60/11/93/789601193.db2.gz XUINNTBVQMVERU-JLVOYYQZSA-N 1 3 306.454 2.490 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccccc2F)[C@@H]1C)N(C)C ZINC001074711350 791272865 /nfs/dbraw/zinc/27/28/65/791272865.db2.gz XUBZRNVPUHAPGA-RRQGHBQHSA-N 1 3 321.440 2.245 20 0 DEADHO CC/C=C\CC[N@@H+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001147731351 791598620 /nfs/dbraw/zinc/59/86/20/791598620.db2.gz HGFIFKFJWMGBJY-PLNGDYQASA-N 1 3 319.493 2.361 20 0 DEADHO CC/C=C\CC[N@H+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001147731351 791598628 /nfs/dbraw/zinc/59/86/28/791598628.db2.gz HGFIFKFJWMGBJY-PLNGDYQASA-N 1 3 319.493 2.361 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC2(C1)CC[N@H+](CC=C(C)C)C2 ZINC001147819595 791630668 /nfs/dbraw/zinc/63/06/68/791630668.db2.gz IIGCAGKQRYVSAE-UHFFFAOYSA-N 1 3 307.482 2.217 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC2(C1)CC[N@@H+](CC=C(C)C)C2 ZINC001147819595 791630672 /nfs/dbraw/zinc/63/06/72/791630672.db2.gz IIGCAGKQRYVSAE-UHFFFAOYSA-N 1 3 307.482 2.217 20 0 DEADHO Cc1cc(CNCCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)cs1 ZINC001147834441 791635030 /nfs/dbraw/zinc/63/50/30/791635030.db2.gz JDPPOONBNQOAMX-HZPDHXFCSA-N 1 3 323.506 2.383 20 0 DEADHO CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001148298118 791725575 /nfs/dbraw/zinc/72/55/75/791725575.db2.gz ICRYTJPXLHQANF-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO CCCCCC[N@H+]1CCC2(CN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001148298118 791725579 /nfs/dbraw/zinc/72/55/79/791725579.db2.gz ICRYTJPXLHQANF-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)CCC[N@@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001148292576 791730958 /nfs/dbraw/zinc/73/09/58/791730958.db2.gz LKEBQGPXSBPSOA-QGZVFWFLSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)CCC[N@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001148292576 791730964 /nfs/dbraw/zinc/73/09/64/791730964.db2.gz LKEBQGPXSBPSOA-QGZVFWFLSA-N 1 3 321.509 2.299 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+]Cc1cc2ccccc2s1 ZINC001148638485 791786896 /nfs/dbraw/zinc/78/68/96/791786896.db2.gz IWFCFQCBGLEEQL-UHFFFAOYSA-N 1 3 319.474 2.449 20 0 DEADHO CC(C)[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001086945936 791858776 /nfs/dbraw/zinc/85/87/76/791858776.db2.gz MACQJXAJFOQQJJ-CQSZACIVSA-N 1 3 304.438 2.064 20 0 DEADHO CCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)[C@H](C)C1 ZINC001092602693 792080848 /nfs/dbraw/zinc/08/08/48/792080848.db2.gz KWCYFOBZQZKBRN-BRWVUGGUSA-N 1 3 309.498 2.343 20 0 DEADHO CCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)[C@H](C)C1 ZINC001092602693 792080852 /nfs/dbraw/zinc/08/08/52/792080852.db2.gz KWCYFOBZQZKBRN-BRWVUGGUSA-N 1 3 309.498 2.343 20 0 DEADHO CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001099435501 792206050 /nfs/dbraw/zinc/20/60/50/792206050.db2.gz KVSXQLXSIXFDSM-LPHOPBHVSA-N 1 3 321.509 2.489 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C(C)C ZINC001099553374 792240825 /nfs/dbraw/zinc/24/08/25/792240825.db2.gz TWNLNFFICKJRQB-FJIDUMEYSA-N 1 3 321.509 2.296 20 0 DEADHO CCCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C(C)C ZINC001099553374 792240836 /nfs/dbraw/zinc/24/08/36/792240836.db2.gz TWNLNFFICKJRQB-FJIDUMEYSA-N 1 3 321.509 2.296 20 0 DEADHO CC1CC(C[NH2+]C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)C1 ZINC001093820225 792605369 /nfs/dbraw/zinc/60/53/69/792605369.db2.gz HJUKWIFCAQRJGU-MNAZLIDISA-N 1 3 321.509 2.201 20 0 DEADHO CC/C=C/CC[NH2+]C1CC(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001100405773 792632005 /nfs/dbraw/zinc/63/20/05/792632005.db2.gz MCLIEDANPDPEBZ-AATRIKPKSA-N 1 3 307.482 2.311 20 0 DEADHO CN(C)[C@@H](C(=O)NCC1CC([NH2+]Cc2ccccc2)C1)C1CC1 ZINC001100407787 792633187 /nfs/dbraw/zinc/63/31/87/792633187.db2.gz JIEQLCLGLRLAMW-VMWRSERWSA-N 1 3 315.461 2.011 20 0 DEADHO CC[C@H](C(=O)NCC1CC([NH2+]Cc2ccccc2F)C1)N(C)C ZINC001100442731 792654682 /nfs/dbraw/zinc/65/46/82/792654682.db2.gz SXXRANVNJOMGHH-PUJMQQBBSA-N 1 3 321.440 2.150 20 0 DEADHO CC[C@H](C(=O)NCC1CC([NH2+]CC=C(Cl)Cl)C1)N(C)C ZINC001100443373 792656453 /nfs/dbraw/zinc/65/64/53/792656453.db2.gz DFUDUBZTFSBWNP-HTAVTVPLSA-N 1 3 322.280 2.130 20 0 DEADHO CC(C)[C@H](C(=O)NCC1CC([NH2+]CCC(C)(C)C)C1)N(C)C ZINC001100647310 792766594 /nfs/dbraw/zinc/76/65/94/792766594.db2.gz NMQIXHIWTKLJFX-UYSNPLJNSA-N 1 3 311.514 2.493 20 0 DEADHO CC[N@H+](C)CCC(=O)NCC1CC(NCC=C(Cl)Cl)C1 ZINC001100831225 792875796 /nfs/dbraw/zinc/87/57/96/792875796.db2.gz MCXOJWKPOCQCDU-UHFFFAOYSA-N 1 3 322.280 2.132 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCC1CC(NCC=C(Cl)Cl)C1 ZINC001100831225 792875805 /nfs/dbraw/zinc/87/58/05/792875805.db2.gz MCXOJWKPOCQCDU-UHFFFAOYSA-N 1 3 322.280 2.132 20 0 DEADHO Cc1ccccc1C[NH2+]C1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001101036608 792978126 /nfs/dbraw/zinc/97/81/26/792978126.db2.gz VGBPZXHLJISLSY-UHFFFAOYSA-N 1 3 317.477 2.320 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)N(C)CC)C[C@]2(C)C1 ZINC001101285300 793101626 /nfs/dbraw/zinc/10/16/26/793101626.db2.gz XRDUUNNHFLFUJI-QAPCUYQASA-N 1 3 309.498 2.297 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)N(C)CC)C[C@]2(C)C1 ZINC001101285300 793101633 /nfs/dbraw/zinc/10/16/33/793101633.db2.gz XRDUUNNHFLFUJI-QAPCUYQASA-N 1 3 309.498 2.297 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001171770032 793201245 /nfs/dbraw/zinc/20/12/45/793201245.db2.gz KKMRUFSHYBQLMD-INIZCTEOSA-N 1 3 305.466 2.494 20 0 DEADHO [NH3+][C@H]1CC[C@H](N(C2COC2)[C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171786040 793213178 /nfs/dbraw/zinc/21/31/78/793213178.db2.gz XDYGYWKMFMIWRO-KKUMJFAQSA-N 1 3 304.409 2.264 20 0 DEADHO O[C@@H](CF)CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172079540 793312552 /nfs/dbraw/zinc/31/25/52/793312552.db2.gz OWMZIBSFHMVADD-FJIDUMEYSA-N 1 3 306.425 2.492 20 0 DEADHO O[C@@H](CF)CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172079540 793312559 /nfs/dbraw/zinc/31/25/59/793312559.db2.gz OWMZIBSFHMVADD-FJIDUMEYSA-N 1 3 306.425 2.492 20 0 DEADHO CC(=O)NCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172063648 793315824 /nfs/dbraw/zinc/31/58/24/793315824.db2.gz APBGZXYHMQGXID-LDLYASANSA-N 1 3 315.461 2.298 20 0 DEADHO CC(=O)NCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172063648 793315832 /nfs/dbraw/zinc/31/58/32/793315832.db2.gz APBGZXYHMQGXID-LDLYASANSA-N 1 3 315.461 2.298 20 0 DEADHO CCOC(=O)NC1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172130299 793319226 /nfs/dbraw/zinc/31/92/26/793319226.db2.gz NMWSMEQFNCTOGP-ZSHCYNCHSA-N 1 3 309.454 2.212 20 0 DEADHO CCOC(=O)NC1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172130299 793319237 /nfs/dbraw/zinc/31/92/37/793319237.db2.gz NMWSMEQFNCTOGP-ZSHCYNCHSA-N 1 3 309.454 2.212 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H](CO)Cc1cccc(F)c1)C2 ZINC001172119434 793340445 /nfs/dbraw/zinc/34/04/45/793340445.db2.gz ZUYCEHBNAVZSJB-ZJPYXAASSA-N 1 3 306.425 2.334 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H](CO)Cc1cccc(F)c1)C2 ZINC001172119434 793340450 /nfs/dbraw/zinc/34/04/50/793340450.db2.gz ZUYCEHBNAVZSJB-ZJPYXAASSA-N 1 3 306.425 2.334 20 0 DEADHO COCCC[NH+]1CCC(NCCOc2cccc(OC)c2)CC1 ZINC001172242572 793382702 /nfs/dbraw/zinc/38/27/02/793382702.db2.gz GDWCLYZNDDNKCH-UHFFFAOYSA-N 1 3 322.449 2.165 20 0 DEADHO COCCC[NH+]1CCC(N[C@H]2CCc3ccccc3[C@@H]2O)CC1 ZINC001172246765 793385929 /nfs/dbraw/zinc/38/59/29/793385929.db2.gz STUBUUVKLDOCRO-OALUTQOASA-N 1 3 318.461 2.125 20 0 DEADHO COCCC[NH+]1CCC(NCCOc2cccc(F)c2)CC1 ZINC001172247209 793387280 /nfs/dbraw/zinc/38/72/80/793387280.db2.gz KADWERHKXHKDII-UHFFFAOYSA-N 1 3 310.413 2.295 20 0 DEADHO COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCN(c3ccncc3)CC2)CC1 ZINC001172783471 793500386 /nfs/dbraw/zinc/50/03/86/793500386.db2.gz SVDBVVMYLIQWBY-HZPDHXFCSA-N 1 3 317.433 2.326 20 0 DEADHO COC(=O)[C@@H]1CCC[C@@H](N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001172783471 793500393 /nfs/dbraw/zinc/50/03/93/793500393.db2.gz SVDBVVMYLIQWBY-HZPDHXFCSA-N 1 3 317.433 2.326 20 0 DEADHO C[C@H](CCN(C)C(=O)OC(C)(C)C)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001172974063 793548923 /nfs/dbraw/zinc/54/89/23/793548923.db2.gz GECMCAJKMWVOMX-KFWWJZLASA-N 1 3 311.470 2.125 20 0 DEADHO C[C@H](CCN(C)C(=O)OC(C)(C)C)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001172974063 793548926 /nfs/dbraw/zinc/54/89/26/793548926.db2.gz GECMCAJKMWVOMX-KFWWJZLASA-N 1 3 311.470 2.125 20 0 DEADHO c1nc2c(s1)C[C@@H]([NH2+][C@H]1CC[C@H](N3CCOCC3)CC1)CC2 ZINC001173123833 793584002 /nfs/dbraw/zinc/58/40/02/793584002.db2.gz AFYRJUYANXKZAT-KKUMJFAQSA-N 1 3 321.490 2.233 20 0 DEADHO CC(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001103088567 793936078 /nfs/dbraw/zinc/93/60/78/793936078.db2.gz IACYURRXWPSSEC-KBAYOESNSA-N 1 3 323.525 2.447 20 0 DEADHO CC(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001103088567 793936083 /nfs/dbraw/zinc/93/60/83/793936083.db2.gz IACYURRXWPSSEC-KBAYOESNSA-N 1 3 323.525 2.447 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1cnoc1C)N(C)C ZINC001175317607 794180845 /nfs/dbraw/zinc/18/08/45/794180845.db2.gz QPPSNGQBYYOTDG-BBRMVZONSA-N 1 3 324.469 2.088 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@H+](CC[C@H](C)F)C[C@H]1C ZINC001103755310 794213937 /nfs/dbraw/zinc/21/39/37/794213937.db2.gz BEYMTYDDBQWVTM-OWCLPIDISA-N 1 3 315.477 2.149 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@@H+](CC[C@H](C)F)C[C@H]1C ZINC001103755310 794213940 /nfs/dbraw/zinc/21/39/40/794213940.db2.gz BEYMTYDDBQWVTM-OWCLPIDISA-N 1 3 315.477 2.149 20 0 DEADHO CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001176350926 794411247 /nfs/dbraw/zinc/41/12/47/794411247.db2.gz NEVIRIFHAQREOU-CQSZACIVSA-N 1 3 306.454 2.491 20 0 DEADHO Cc1ccc(CN2CCN(CC3CC[NH+](C)CC3)CC2)cc1 ZINC001204175357 794469421 /nfs/dbraw/zinc/46/94/21/794469421.db2.gz UYIGTMDHTCXNOG-UHFFFAOYSA-N 1 3 301.478 2.454 20 0 DEADHO CC[C@H](F)C[NH2+]CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001176889869 794522248 /nfs/dbraw/zinc/52/22/48/794522248.db2.gz GZOQLUFULZAQEZ-INIZCTEOSA-N 1 3 309.429 2.206 20 0 DEADHO CC[C@@H](F)CN1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)CC)C1 ZINC001111926739 794527945 /nfs/dbraw/zinc/52/79/45/794527945.db2.gz GMVCJJNMALNGJC-UXLLHSPISA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@@H](F)CN1C[C@@H]2CCC[C@]2(NC(=O)CC[N@@H+](C)CC)C1 ZINC001111926739 794527952 /nfs/dbraw/zinc/52/79/52/794527952.db2.gz GMVCJJNMALNGJC-UXLLHSPISA-N 1 3 313.461 2.047 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C)cc1 ZINC001176985992 794547002 /nfs/dbraw/zinc/54/70/02/794547002.db2.gz APYYFAATGSIEHJ-GOSISDBHSA-N 1 3 317.477 2.465 20 0 DEADHO Cc1cc(C[NH2+]CCCNC(=O)CN(C)C(C)C)c(C)s1 ZINC001176986422 794547671 /nfs/dbraw/zinc/54/76/71/794547671.db2.gz NVAAJZFWDOSBHA-UHFFFAOYSA-N 1 3 311.495 2.301 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC2CC2)C1)N(C)C ZINC001112425511 794631018 /nfs/dbraw/zinc/63/10/18/794631018.db2.gz PBAZSXVHFGDMIN-SCTDSRPQSA-N 1 3 321.509 2.345 20 0 DEADHO CN(C)[C@H](C(=O)NCC1([NH2+]CC2CC2)CCCCC1)C1CC1 ZINC001115573356 794826080 /nfs/dbraw/zinc/82/60/80/794826080.db2.gz ORWRCKBSIHSEAH-INIZCTEOSA-N 1 3 307.482 2.145 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]C[C@@H](F)CC)CCCCC1)N(C)C ZINC001115592221 794831969 /nfs/dbraw/zinc/83/19/69/794831969.db2.gz ZFYALCFKYWYGGK-LSDHHAIUSA-N 1 3 315.477 2.483 20 0 DEADHO C[C@H]1[C@@H]([NH2+]C/C=C\Cl)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001179550206 795135279 /nfs/dbraw/zinc/13/52/79/795135279.db2.gz RFIWRNYKHHBMIU-KUTPXYQMSA-N 1 3 313.873 2.050 20 0 DEADHO C[C@H]1[C@@H]([NH2+]C/C=C\c2ccccc2)CCN1C(=O)Cc1c[nH]cn1 ZINC001179608304 795142574 /nfs/dbraw/zinc/14/25/74/795142574.db2.gz GMNUQUMUKVFAEH-BROQGDHQSA-N 1 3 324.428 2.245 20 0 DEADHO CCN1CCN(c2ccc(NC(=O)CC3([NH3+])CCC3)cc2)CC1 ZINC001118186492 795163538 /nfs/dbraw/zinc/16/35/38/795163538.db2.gz PRCGSJRSFQXSPN-UHFFFAOYSA-N 1 3 316.449 2.039 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CCCCCF)[C@@H]1C ZINC001179763015 795174395 /nfs/dbraw/zinc/17/43/95/795174395.db2.gz FUHMWPBWJRHQHD-GJZGRUSLSA-N 1 3 301.450 2.047 20 0 DEADHO CCN(CC)CC(=O)NCCCCCC[NH2+]Cc1cnoc1C ZINC001179850425 795188291 /nfs/dbraw/zinc/18/82/91/795188291.db2.gz DXZVWHKIXUQHJB-UHFFFAOYSA-N 1 3 324.469 2.091 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCc2ccccc2)[C@@H]1C ZINC001180226755 795259145 /nfs/dbraw/zinc/25/91/45/795259145.db2.gz KSECDFIFCKJCCC-WMZOPIPTSA-N 1 3 317.477 2.148 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001180226846 795260093 /nfs/dbraw/zinc/26/00/93/795260093.db2.gz PBARNGLZEZJECI-WMZOPIPTSA-N 1 3 317.477 2.414 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]C[C@H](O)c2ccccc2)C[C@H](C)O1 ZINC001120480652 795469883 /nfs/dbraw/zinc/46/98/83/795469883.db2.gz ABMNVDQJYSZURN-JZXOWHBKSA-N 1 3 306.450 2.199 20 0 DEADHO CC[C@H](C(=O)NC1CC2(C1)CC([NH2+]CC[C@@H](C)F)C2)N(C)C ZINC001121302169 795614644 /nfs/dbraw/zinc/61/46/44/795614644.db2.gz QWBHDESVKOQSKR-KBMGIXFMSA-N 1 3 313.461 2.092 20 0 DEADHO CC[C@H](C)C[NH2+]C[C@]1(C)CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001182934254 795787353 /nfs/dbraw/zinc/78/73/53/795787353.db2.gz VNXRFOWLPYUAQC-LZLYRXPVSA-N 1 3 311.514 2.449 20 0 DEADHO CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001183268317 795842840 /nfs/dbraw/zinc/84/28/40/795842840.db2.gz SZHIJJINFLAAPS-TZNMXKOXSA-N 1 3 307.482 2.264 20 0 DEADHO CCOC(=O)Cc1ccc(CN2CCC[C@](C)([NH3+])CC2)cc1 ZINC001205289032 795980900 /nfs/dbraw/zinc/98/09/00/795980900.db2.gz RGYAJASHMWMXKB-SFHVURJKSA-N 1 3 304.434 2.496 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1C[NH2+]CCC1CC1 ZINC001184575530 796086620 /nfs/dbraw/zinc/08/66/20/796086620.db2.gz DVBXHZBHMSXLSN-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001185171305 796202063 /nfs/dbraw/zinc/20/20/63/796202063.db2.gz VYTSSVURDBODLM-IAGOWNOFSA-N 1 3 323.525 2.449 20 0 DEADHO CN(CC(=O)N1CC[C@@H]([NH2+]Cc2ccsc2)C1)CC(C)(C)C ZINC001185722831 796309427 /nfs/dbraw/zinc/30/94/27/796309427.db2.gz AVEDYXKGGNMYCY-OAHLLOKOSA-N 1 3 323.506 2.417 20 0 DEADHO C[C@@H](C(=O)N1CC[C@@H](NC/C=C\Cl)C1)[NH+]1CCCCCC1 ZINC001186074874 796353486 /nfs/dbraw/zinc/35/34/86/796353486.db2.gz JSNRZXCJNROGDW-NEFCLYRVSA-N 1 3 313.873 2.194 20 0 DEADHO CN1CCC(N(C(=O)[C@H]2CCC[N@H+](C)C2)C2CCCC2)CC1 ZINC001186360812 796394057 /nfs/dbraw/zinc/39/40/57/796394057.db2.gz SKJSMKWFCNUXMW-HNNXBMFYSA-N 1 3 307.482 2.194 20 0 DEADHO CN1CCC(N(C(=O)[C@H]2CCC[N@@H+](C)C2)C2CCCC2)CC1 ZINC001186360812 796394061 /nfs/dbraw/zinc/39/40/61/796394061.db2.gz SKJSMKWFCNUXMW-HNNXBMFYSA-N 1 3 307.482 2.194 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001186452457 796403128 /nfs/dbraw/zinc/40/31/28/796403128.db2.gz PVPBPEVWAAAPDM-QGZVFWFLSA-N 1 3 317.477 2.336 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001186488710 796407955 /nfs/dbraw/zinc/40/79/55/796407955.db2.gz SYGUFAQANODDBY-GOSISDBHSA-N 1 3 317.477 2.336 20 0 DEADHO COCc1ccc(C[NH+]2CCC(N3CCN(C)CC3)CC2)s1 ZINC001139827505 796431800 /nfs/dbraw/zinc/43/18/00/796431800.db2.gz ZDFVXYIREFXRAC-UHFFFAOYSA-N 1 3 323.506 2.106 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCCC1=CC[N@H+](CC2CC2)CC1 ZINC001161206341 796476459 /nfs/dbraw/zinc/47/64/59/796476459.db2.gz IRDHXBHQSHRNHJ-OAHLLOKOSA-N 1 3 305.466 2.019 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCCC1=CC[N@@H+](CC2CC2)CC1 ZINC001161206341 796476462 /nfs/dbraw/zinc/47/64/62/796476462.db2.gz IRDHXBHQSHRNHJ-OAHLLOKOSA-N 1 3 305.466 2.019 20 0 DEADHO CCCC[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203028110 796514907 /nfs/dbraw/zinc/51/49/07/796514907.db2.gz KXVUVNSQLSUVOK-GJZGRUSLSA-N 1 3 307.482 2.288 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001188139598 796631679 /nfs/dbraw/zinc/63/16/79/796631679.db2.gz PSVXCTVRHROKNL-RHSMWYFYSA-N 1 3 321.440 2.417 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001188158891 796641175 /nfs/dbraw/zinc/64/11/75/796641175.db2.gz YUTBWKFURRSEFR-QGZVFWFLSA-N 1 3 321.509 2.488 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC2)C12CCC2 ZINC001203103640 796649328 /nfs/dbraw/zinc/64/93/28/796649328.db2.gz LYBPYMUZZQFERH-CABCVRRESA-N 1 3 307.482 2.144 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H]([N@H+](C)CCC(C)(C)C)C2)CCC1 ZINC001190645364 797047927 /nfs/dbraw/zinc/04/79/27/797047927.db2.gz SIYPSNWYPDGPLX-HNNXBMFYSA-N 1 3 309.498 2.440 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H]([N@@H+](C)CCC(C)(C)C)C2)CCC1 ZINC001190645364 797047934 /nfs/dbraw/zinc/04/79/34/797047934.db2.gz SIYPSNWYPDGPLX-HNNXBMFYSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)=CCN(C)[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001190890603 797103358 /nfs/dbraw/zinc/10/33/58/797103358.db2.gz UJCKNDHSOVSFEH-QGZVFWFLSA-N 1 3 319.493 2.361 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]C/C=C/c1ccccc1 ZINC001152445679 797187922 /nfs/dbraw/zinc/18/79/22/797187922.db2.gz MQOFJXWNNIOIBZ-MZEUMTGBSA-N 1 3 315.461 2.280 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]CCc1ccc(C)cc1 ZINC001152452291 797189694 /nfs/dbraw/zinc/18/96/94/797189694.db2.gz ZPFSHWWFNAXGQL-SFHVURJKSA-N 1 3 317.477 2.118 20 0 DEADHO CC(C)[C@@H](C(=O)NCCNCc1ccsc1)[NH+]1CCCC1 ZINC001152479511 797193746 /nfs/dbraw/zinc/19/37/46/797193746.db2.gz GVBHNNZESJYLHP-HNNXBMFYSA-N 1 3 309.479 2.074 20 0 DEADHO CCN(Cc1ccc(F)cc1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155000102 797658263 /nfs/dbraw/zinc/65/82/63/797658263.db2.gz WOPWRININZWDGD-CQSZACIVSA-N 1 3 309.429 2.104 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)CC2CCCCC2)C1 ZINC001194295587 797710720 /nfs/dbraw/zinc/71/07/20/797710720.db2.gz RHKYGUCIOAJVAH-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001194295587 797710723 /nfs/dbraw/zinc/71/07/23/797710723.db2.gz RHKYGUCIOAJVAH-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO [NH3+][C@@H]1Cc2ccccc2N(c2cc(Cl)nc3c2CCNC3)C1 ZINC001155298423 797728466 /nfs/dbraw/zinc/72/84/66/797728466.db2.gz FPUYQGKVLFYTOP-GFCCVEGCSA-N 1 3 314.820 2.402 20 0 DEADHO CN(C)c1cccc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)n1 ZINC001155378479 797744152 /nfs/dbraw/zinc/74/41/52/797744152.db2.gz RLPWTRJJGOVVJI-CQSZACIVSA-N 1 3 304.438 2.108 20 0 DEADHO CC/C=C/CC[N@@H+]1CCCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001196215393 798022660 /nfs/dbraw/zinc/02/26/60/798022660.db2.gz FVUZUTPVAIQKSD-OZSKJFCKSA-N 1 3 309.498 2.463 20 0 DEADHO CC/C=C/CC[N@H+]1CCCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001196215393 798022663 /nfs/dbraw/zinc/02/26/63/798022663.db2.gz FVUZUTPVAIQKSD-OZSKJFCKSA-N 1 3 309.498 2.463 20 0 DEADHO CC[N@H+](C)C(C)(C)C(=O)N1CCCN(CCCCCF)CC1 ZINC001196341394 798041470 /nfs/dbraw/zinc/04/14/70/798041470.db2.gz NVXWFDGLPAHCAA-UHFFFAOYSA-N 1 3 315.477 2.391 20 0 DEADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCCN(CCCCCF)CC1 ZINC001196341394 798041474 /nfs/dbraw/zinc/04/14/74/798041474.db2.gz NVXWFDGLPAHCAA-UHFFFAOYSA-N 1 3 315.477 2.391 20 0 DEADHO C[NH+](C)CCCC(=O)N1CCCN(CCCCCF)CC1 ZINC001196970508 798127346 /nfs/dbraw/zinc/12/73/46/798127346.db2.gz ISYHXDZGBFEOOZ-UHFFFAOYSA-N 1 3 301.450 2.002 20 0 DEADHO [NH3+]Cc1ccccc1C(=O)N1CCN(CC2CCCCC2)CC1 ZINC001157592897 798237870 /nfs/dbraw/zinc/23/78/70/798237870.db2.gz RLHKICXALDSKMU-UHFFFAOYSA-N 1 3 315.461 2.483 20 0 DEADHO C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H](c3ccccc3)N2)C[C@@H]1[NH3+] ZINC001157810747 798284487 /nfs/dbraw/zinc/28/44/87/798284487.db2.gz SZCPINNKQUWLBP-XBVQOTNRSA-N 1 3 301.434 2.066 20 0 DEADHO Cc1ccc(N2CCN(CC3CC[NH+](C)CC3)CC2)nc1C ZINC001157838237 798289850 /nfs/dbraw/zinc/28/98/50/798289850.db2.gz TVBDQMHSCXESIQ-UHFFFAOYSA-N 1 3 302.466 2.162 20 0 DEADHO CSc1cccc(N2CCN(CC3CC[NH+](C)CC3)CC2)n1 ZINC001157842789 798291545 /nfs/dbraw/zinc/29/15/45/798291545.db2.gz XSUHETRYHDXSPR-UHFFFAOYSA-N 1 3 320.506 2.267 20 0 DEADHO CCC[N@H+](C)CCC(=O)NC[C@@H](NCC)c1ccccc1OC ZINC001198969267 798421557 /nfs/dbraw/zinc/42/15/57/798421557.db2.gz UFPNKGZLKFYUDA-MRXNPFEDSA-N 1 3 321.465 2.194 20 0 DEADHO CCC[N@@H+](C)CCC(=O)NC[C@@H](NCC)c1ccccc1OC ZINC001198969267 798421559 /nfs/dbraw/zinc/42/15/59/798421559.db2.gz UFPNKGZLKFYUDA-MRXNPFEDSA-N 1 3 321.465 2.194 20 0 DEADHO CCCc1ccc(N(C2CC[NH2+]CC2)C2CCN(C)CC2)nn1 ZINC001158589800 798434173 /nfs/dbraw/zinc/43/41/73/798434173.db2.gz YIAUUVCZWWYBPX-UHFFFAOYSA-N 1 3 317.481 2.082 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CCC1 ZINC001158787518 798469912 /nfs/dbraw/zinc/46/99/12/798469912.db2.gz VPHZKNPBOJOJDT-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCC1 ZINC001158787518 798469916 /nfs/dbraw/zinc/46/99/16/798469916.db2.gz VPHZKNPBOJOJDT-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001158856297 798479445 /nfs/dbraw/zinc/47/94/45/798479445.db2.gz DZEPRYGBGVUCLS-IAGOWNOFSA-N 1 3 307.482 2.217 20 0 DEADHO CC(C)=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001158856297 798479448 /nfs/dbraw/zinc/47/94/48/798479448.db2.gz DZEPRYGBGVUCLS-IAGOWNOFSA-N 1 3 307.482 2.217 20 0 DEADHO CCCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001159629553 798590742 /nfs/dbraw/zinc/59/07/42/798590742.db2.gz ZEKLZLCHZZSFTF-QGZVFWFLSA-N 1 3 307.482 2.409 20 0 DEADHO CCCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001159629553 798590743 /nfs/dbraw/zinc/59/07/43/798590743.db2.gz ZEKLZLCHZZSFTF-QGZVFWFLSA-N 1 3 307.482 2.409 20 0 DEADHO CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001159628901 798590779 /nfs/dbraw/zinc/59/07/79/798590779.db2.gz QLILDSCBQAEROS-WBVHZDCISA-N 1 3 307.482 2.265 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001159628901 798590780 /nfs/dbraw/zinc/59/07/80/798590780.db2.gz QLILDSCBQAEROS-WBVHZDCISA-N 1 3 307.482 2.265 20 0 DEADHO CN1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CC2CCC2)CC1 ZINC001159628208 798590786 /nfs/dbraw/zinc/59/07/86/798590786.db2.gz FPKUZLUSZVAWKG-KRWDZBQOSA-N 1 3 305.466 2.019 20 0 DEADHO CN1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC2CCC2)CC1 ZINC001159628208 798590787 /nfs/dbraw/zinc/59/07/87/798590787.db2.gz FPKUZLUSZVAWKG-KRWDZBQOSA-N 1 3 305.466 2.019 20 0 DEADHO CCC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)CN(C)CCC)[C@@H]2C1 ZINC001115160365 798616798 /nfs/dbraw/zinc/61/67/98/798616798.db2.gz UBARBXWCSHTKGR-ZOQIZTMWSA-N 1 3 307.482 2.121 20 0 DEADHO CCC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)CN(C)CCC)[C@@H]2C1 ZINC001115160365 798616799 /nfs/dbraw/zinc/61/67/99/798616799.db2.gz UBARBXWCSHTKGR-ZOQIZTMWSA-N 1 3 307.482 2.121 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)C2(N(C)C)CCC2)cc1F ZINC001159854823 798618646 /nfs/dbraw/zinc/61/86/46/798618646.db2.gz TYEGRDXOPDTGEQ-UHFFFAOYSA-N 1 3 321.440 2.214 20 0 DEADHO CN(C)C1(C(=O)NCCC[NH2+]CCC2=CCCCC2)CCC1 ZINC001159854883 798618878 /nfs/dbraw/zinc/61/88/78/798618878.db2.gz VUEAAKUWSNXKOA-UHFFFAOYSA-N 1 3 307.482 2.457 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159915005 798625249 /nfs/dbraw/zinc/62/52/49/798625249.db2.gz FUTFQAKSZOANNY-QGZVFWFLSA-N 1 3 321.440 2.070 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159915724 798625256 /nfs/dbraw/zinc/62/52/56/798625256.db2.gz MSHUTHMLWGMGQW-YJBOKZPZSA-N 1 3 317.477 2.492 20 0 DEADHO CN(CCN1CCCC1)C(=O)[C@@H]1C[C@@H](c2ccccc2)CC[NH2+]1 ZINC001160687881 798722896 /nfs/dbraw/zinc/72/28/96/798722896.db2.gz JPCBXBMZLHSUFW-ROUUACIJSA-N 1 3 315.461 2.076 20 0 DEADHO CN(CC[NH+]1CCCC1)C(=O)[C@@H]1C[C@@H](c2ccccc2)CCN1 ZINC001160687881 798722900 /nfs/dbraw/zinc/72/29/00/798722900.db2.gz JPCBXBMZLHSUFW-ROUUACIJSA-N 1 3 315.461 2.076 20 0 DEADHO CC[C@@H]1CO[C@@](C)(CCC(C)C)N1C(=O)[C@@H](N)CCCC[NH3+] ZINC001160728393 798730577 /nfs/dbraw/zinc/73/05/77/798730577.db2.gz COSNMQUDGKERLK-VYDXJSESSA-N 1 3 313.486 2.233 20 0 DEADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC[C@H]1C1CCCCC1 ZINC001160828306 798747371 /nfs/dbraw/zinc/74/73/71/798747371.db2.gz YYMSHSJZIZSWSQ-IRXDYDNUSA-N 1 3 319.493 2.432 20 0 DEADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC[C@H]1C1CCCCC1 ZINC001160828306 798747375 /nfs/dbraw/zinc/74/73/75/798747375.db2.gz YYMSHSJZIZSWSQ-IRXDYDNUSA-N 1 3 319.493 2.432 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+]Cc1ccc(C)c(C)c1)N(C)C ZINC001160883798 798755106 /nfs/dbraw/zinc/75/51/06/798755106.db2.gz VKSWCTCXVCBXGR-QGZVFWFLSA-N 1 3 305.466 2.240 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+]CC[C@H]1CC1(Cl)Cl)N(C)C ZINC001160889712 798756073 /nfs/dbraw/zinc/75/60/73/798756073.db2.gz PZDPBWWAWQOACW-NWDGAFQWSA-N 1 3 324.296 2.006 20 0 DEADHO CC(C)[C@@H]([NH3+])C(=O)N(C)[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001160958554 798771400 /nfs/dbraw/zinc/77/14/00/798771400.db2.gz YGODAKJMEORGBA-RYQLBKOJSA-N 1 3 317.477 2.339 20 0 DEADHO CC[C@H](C)[C@@H]([NH3+])CC(=O)N(C)CCN(C)Cc1ccccc1 ZINC001161161143 798803823 /nfs/dbraw/zinc/80/38/23/798803823.db2.gz OYMSAJSFIVLZPL-RDJZCZTQSA-N 1 3 305.466 2.340 20 0 DEADHO CC[C@@H](C(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001161447328 798861015 /nfs/dbraw/zinc/86/10/15/798861015.db2.gz XLKAOJFCPBMCDQ-QZTJIDSGSA-N 1 3 317.477 2.322 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC1=CC[N@H+](CC2CCC2)CC1 ZINC001161785323 798936026 /nfs/dbraw/zinc/93/60/26/798936026.db2.gz MHFVEIUZEPYTPD-UHFFFAOYSA-N 1 3 316.449 2.199 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC1=CC[N@@H+](CC2CCC2)CC1 ZINC001161785323 798936030 /nfs/dbraw/zinc/93/60/30/798936030.db2.gz MHFVEIUZEPYTPD-UHFFFAOYSA-N 1 3 316.449 2.199 20 0 DEADHO CC1(C)CCN(CC(=O)N2CCC([NH2+]C/C=C/Cl)CC2)C1 ZINC001202526807 799106380 /nfs/dbraw/zinc/10/63/80/799106380.db2.gz PUFVOVIEVZTLQL-XVNBXDOJSA-N 1 3 313.873 2.051 20 0 DEADHO [NH3+]C1CCN(c2cccc(NCc3cnc(Cl)cn3)n2)CC1 ZINC001162652866 799139176 /nfs/dbraw/zinc/13/91/76/799139176.db2.gz CSZFCHNIEPDYEY-UHFFFAOYSA-N 1 3 318.812 2.065 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001202667255 799354206 /nfs/dbraw/zinc/35/42/06/799354206.db2.gz GHBVLMCJAWSWIX-UHFFFAOYSA-N 1 3 304.438 2.113 20 0 DEADHO C[NH+]1CCC(CN2CCN(Cc3cnccc3Cl)CC2)CC1 ZINC001137239029 799417299 /nfs/dbraw/zinc/41/72/99/799417299.db2.gz DFWQEQBJKBCTQK-UHFFFAOYSA-N 1 3 322.884 2.194 20 0 DEADHO CN(C)Cc1ccnc(N2C[C@H]3C[NH2+]C[C@]3(c3ccccc3)C2)c1 ZINC001165168099 799667024 /nfs/dbraw/zinc/66/70/24/799667024.db2.gz HPDNDWPFKPNNHD-UYAOXDASSA-N 1 3 322.456 2.121 20 0 DEADHO CC[N@@H+]1CCCC[C@@H]1c1ccc(-n2ncc3c2CCNC3)nc1 ZINC001165222562 799677672 /nfs/dbraw/zinc/67/76/72/799677672.db2.gz DTJGKJXKHLQZPC-MRXNPFEDSA-N 1 3 311.433 2.460 20 0 DEADHO CC[N@H+]1CCCC[C@@H]1c1ccc(-n2ncc3c2CCNC3)nc1 ZINC001165222562 799677675 /nfs/dbraw/zinc/67/76/75/799677675.db2.gz DTJGKJXKHLQZPC-MRXNPFEDSA-N 1 3 311.433 2.460 20 0 DEADHO CCc1ccccc1C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166667787 799915126 /nfs/dbraw/zinc/91/51/26/799915126.db2.gz IMHPACKJUGVYTP-INIZCTEOSA-N 1 3 317.477 2.187 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)CN2CC[C@H](C)C2)cc1C ZINC001166676661 799918556 /nfs/dbraw/zinc/91/85/56/799918556.db2.gz AOYZTJCXJBNZPU-HNNXBMFYSA-N 1 3 317.477 2.241 20 0 DEADHO CC1(C)CCN(CC(=O)NCCC[NH2+]CCc2cccs2)C1 ZINC001166736942 799935797 /nfs/dbraw/zinc/93/57/97/799935797.db2.gz WTBSQNNACXUWMD-UHFFFAOYSA-N 1 3 323.506 2.118 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+][C@H](C)c1ccccc1C)N(C)C ZINC001166858365 799966344 /nfs/dbraw/zinc/96/63/44/799966344.db2.gz RLHZFKQYNPACAV-WBVHZDCISA-N 1 3 305.466 2.492 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1cc2ccccc2o1)N(C)C ZINC001166857978 799966367 /nfs/dbraw/zinc/96/63/67/799966367.db2.gz IVNXUMOUPFDCMH-INIZCTEOSA-N 1 3 317.433 2.369 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+]CCCCC(F)(F)F)N(C)C ZINC001166858418 799966800 /nfs/dbraw/zinc/96/68/00/799966800.db2.gz UKDDAEQRUUUSAR-LBPRGKRZSA-N 1 3 311.392 2.155 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+]CC[C@@H]1CC1(Cl)Cl)N(C)C ZINC001166866650 799969247 /nfs/dbraw/zinc/96/92/47/799969247.db2.gz PZDPBWWAWQOACW-NEPJUHHUSA-N 1 3 324.296 2.006 20 0 DEADHO CCN(CC)CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CC2)C12CCC2 ZINC001203521454 800069094 /nfs/dbraw/zinc/06/90/94/800069094.db2.gz JGACODFQWRWYFP-HOTGVXAUSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC2)C12CCC2 ZINC001203791007 800123398 /nfs/dbraw/zinc/12/33/98/800123398.db2.gz BIRBKOSSCPQGAK-CVEARBPZSA-N 1 3 307.482 2.144 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]C/C=C\Cl)C12CCC2 ZINC001203792036 800123801 /nfs/dbraw/zinc/12/38/01/800123801.db2.gz MQHFMBCOSITMBG-WNFXYAGKSA-N 1 3 313.873 2.096 20 0 DEADHO CC(C)Oc1cc(CN2CCC[C@@](O)(C[NH3+])CC2)ccc1F ZINC001205247814 800330676 /nfs/dbraw/zinc/33/06/76/800330676.db2.gz JSEFFXYWDALTCT-KRWDZBQOSA-N 1 3 310.413 2.289 20 0 DEADHO C[C@]1([NH3+])CCCN(Cc2ccccc2N2CCOCC2)CC1 ZINC001205272961 800334076 /nfs/dbraw/zinc/33/40/76/800334076.db2.gz BKNNFXXYPHEAMS-SFHVURJKSA-N 1 3 303.450 2.227 20 0 DEADHO C[C@@]1([NH3+])CCCN(Cc2ccc(O)c3[nH]c(=O)ccc23)CC1 ZINC001205288014 800337091 /nfs/dbraw/zinc/33/70/91/800337091.db2.gz FOYPSZBALCPRRR-QGZVFWFLSA-N 1 3 301.390 2.349 20 0 DEADHO COc1cc(CN2CCC[C@](F)(C[NH3+])CC2)cc(F)c1OC ZINC001205558876 800376580 /nfs/dbraw/zinc/37/65/80/800376580.db2.gz KUUNEPXXGJNXTI-MRXNPFEDSA-N 1 3 314.376 2.496 20 0 DEADHO COc1ccc2nc(CN3CCC[C@@](F)(C[NH3+])CC3)[nH]c2c1 ZINC001205591240 800382642 /nfs/dbraw/zinc/38/26/42/800382642.db2.gz IFAAHINQMUHGDH-INIZCTEOSA-N 1 3 306.385 2.224 20 0 DEADHO C[C@H]1CC[C@@H](CN)[N@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC001205814762 800425086 /nfs/dbraw/zinc/42/50/86/800425086.db2.gz DGEUNRAAEJTTDK-LPHOPBHVSA-N 1 3 317.477 2.078 20 0 DEADHO C[C@H]1CC[C@@H](CN)[N@@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC001205814762 800425087 /nfs/dbraw/zinc/42/50/87/800425087.db2.gz DGEUNRAAEJTTDK-LPHOPBHVSA-N 1 3 317.477 2.078 20 0 DEADHO C[C@@H]1CN(Cc2cn(C)nc2C(F)(F)F)CCC[C@H]1C[NH3+] ZINC001206011163 800458691 /nfs/dbraw/zinc/45/86/91/800458691.db2.gz AJJHFDUCSOXULD-MNOVXSKESA-N 1 3 304.360 2.246 20 0 DEADHO [NH3+][C@@H]1CCN(Cc2ccc(-c3ncccn3)cc2)CC[C@H]1F ZINC001206173165 800483786 /nfs/dbraw/zinc/48/37/86/800483786.db2.gz FMVHLQCJHBSJRK-HZPDHXFCSA-N 1 3 300.381 2.405 20 0 DEADHO COC(=O)c1cccc2[nH]cc(C[N@@H+]3CC[C@@H](N)[C@H](F)CC3)c21 ZINC001206173431 800483861 /nfs/dbraw/zinc/48/38/61/800483861.db2.gz HIGSHTMFZVEIDV-ZIAGYGMSSA-N 1 3 319.380 2.216 20 0 DEADHO COC(=O)c1cccc2[nH]cc(C[N@H+]3CC[C@@H](N)[C@H](F)CC3)c21 ZINC001206173431 800483865 /nfs/dbraw/zinc/48/38/65/800483865.db2.gz HIGSHTMFZVEIDV-ZIAGYGMSSA-N 1 3 319.380 2.216 20 0 DEADHO CN1CC2(C1)CC[NH+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)CC2 ZINC001207216545 800712276 /nfs/dbraw/zinc/71/22/76/800712276.db2.gz QDWNVLJKBNELGC-OAHLLOKOSA-N 1 3 323.481 2.271 20 0 DEADHO CC(C)(C)OC(=O)N1CCN(CC2CC[NH2+]CC2)C2(CC2)C1 ZINC001207435507 800751297 /nfs/dbraw/zinc/75/12/97/800751297.db2.gz INISUQUTNLMBHJ-UHFFFAOYSA-N 1 3 309.454 2.071 20 0 DEADHO C[NH+]1CCC(CCN2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)CC1 ZINC001207483162 800764739 /nfs/dbraw/zinc/76/47/39/800764739.db2.gz UJMFTTPQIKSYFG-IPMKNSEASA-N 1 3 322.493 2.377 20 0 DEADHO CC(C)NC(=O)N[C@H]1CCC[N@H+](CC2(CN(C)C)CCCC2)C1 ZINC001208187917 800925323 /nfs/dbraw/zinc/92/53/23/800925323.db2.gz DNUFGWQRGZKTRN-INIZCTEOSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)NC(=O)N[C@H]1CCC[N@@H+](CC2(CN(C)C)CCCC2)C1 ZINC001208187917 800925326 /nfs/dbraw/zinc/92/53/26/800925326.db2.gz DNUFGWQRGZKTRN-INIZCTEOSA-N 1 3 324.513 2.280 20 0 DEADHO CN(C)CC1(C[N@@H+]2CCC[C@@H](Oc3cnccn3)C2)CCCC1 ZINC001208189061 800926708 /nfs/dbraw/zinc/92/67/08/800926708.db2.gz QQFMNALQARCRFT-MRXNPFEDSA-N 1 3 318.465 2.442 20 0 DEADHO CN(C)CC1(C[N@H+]2CCC[C@@H](Oc3cnccn3)C2)CCCC1 ZINC001208189061 800926712 /nfs/dbraw/zinc/92/67/12/800926712.db2.gz QQFMNALQARCRFT-MRXNPFEDSA-N 1 3 318.465 2.442 20 0 DEADHO CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001208334059 800957743 /nfs/dbraw/zinc/95/77/43/800957743.db2.gz DPNVLDGWAADREZ-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CN(CC(=O)N1CCC[C@H]([NH2+]CCC(C)(C)C)C1)C1CCC1 ZINC001208341193 800960197 /nfs/dbraw/zinc/96/01/97/800960197.db2.gz VWTURRUIIWUSGT-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CC[NH+]1CCC(CN(C)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001208598764 801023135 /nfs/dbraw/zinc/02/31/35/801023135.db2.gz XKKZZYNAFHUPGR-UHFFFAOYSA-N 1 3 311.470 2.269 20 0 DEADHO OC[C@@H]1C[N@H+](C[C@@H]2CCN(Cc3ccccc3)C2)CCC1(F)F ZINC001208948464 801099883 /nfs/dbraw/zinc/09/98/83/801099883.db2.gz QMYBTNRQXDXSJV-SJORKVTESA-N 1 3 324.415 2.458 20 0 DEADHO OC[C@@H]1C[N@@H+](C[C@@H]2CCN(Cc3ccccc3)C2)CCC1(F)F ZINC001208948464 801099889 /nfs/dbraw/zinc/09/98/89/801099889.db2.gz QMYBTNRQXDXSJV-SJORKVTESA-N 1 3 324.415 2.458 20 0 DEADHO CCNC(=O)[C@@H]1CCC[N@@H+]1C[C@H]1CCN(Cc2ccccc2)C1 ZINC001208956541 801101792 /nfs/dbraw/zinc/10/17/92/801101792.db2.gz BEPZUGBKOLKDPJ-ROUUACIJSA-N 1 3 315.461 2.109 20 0 DEADHO CCNC(=O)[C@@H]1CCC[N@H+]1C[C@H]1CCN(Cc2ccccc2)C1 ZINC001208956541 801101795 /nfs/dbraw/zinc/10/17/95/801101795.db2.gz BEPZUGBKOLKDPJ-ROUUACIJSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@@H](N[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)c1ccccc1F ZINC001209446471 801193125 /nfs/dbraw/zinc/19/31/25/801193125.db2.gz RNYCKKUIFOSIKQ-CABCVRRESA-N 1 3 321.440 2.419 20 0 DEADHO CC(C)CCC[NH+]1CCC(NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001229184767 801237611 /nfs/dbraw/zinc/23/76/11/801237611.db2.gz BGROPOACDPRFSY-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\Cl ZINC001229213340 801242465 /nfs/dbraw/zinc/24/24/65/801242465.db2.gz HHVFCAXWFNQCOC-MFCDUJOTSA-N 1 3 301.862 2.098 20 0 DEADHO CC[C@@H](C(=O)NC1CC[NH+](Cc2ccc(C)cc2)CC1)N(C)C ZINC001229222612 801244279 /nfs/dbraw/zinc/24/42/79/801244279.db2.gz CRASEJGCYRCMNS-SFHVURJKSA-N 1 3 317.477 2.416 20 0 DEADHO CN(CC(=O)N1CCC[C@H]([NH2+]CCC2CC2)C1)CC(C)(C)C ZINC001209688209 801256879 /nfs/dbraw/zinc/25/68/79/801256879.db2.gz BEKGWQLSFAJOCR-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[C@H](C)C[NH2+][C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001209835353 801292434 /nfs/dbraw/zinc/29/24/34/801292434.db2.gz ACQQRPMHLWNQHL-GJZGRUSLSA-N 1 3 306.454 2.215 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001210217068 801351987 /nfs/dbraw/zinc/35/19/87/801351987.db2.gz CLQKVJRRQZGFKG-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)N(C)CC(=O)NC1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001230367293 801393602 /nfs/dbraw/zinc/39/36/02/801393602.db2.gz USKBWMNWFYHYOB-UHFFFAOYSA-N 1 3 309.498 2.343 20 0 DEADHO CCN(CC)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CCF)CC1 ZINC001230610903 801436626 /nfs/dbraw/zinc/43/66/26/801436626.db2.gz JNNPHECFEHXLAX-MRXNPFEDSA-N 1 3 313.461 2.001 20 0 DEADHO CCN(CC)CC(=O)N1CCC([C@H]2CCC[N@H+]2CCF)CC1 ZINC001230610903 801436628 /nfs/dbraw/zinc/43/66/28/801436628.db2.gz JNNPHECFEHXLAX-MRXNPFEDSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@H](C(=O)NCCC[N@H+](Cc1cccnc1)C(C)C)N(C)C ZINC001230784114 801490625 /nfs/dbraw/zinc/49/06/25/801490625.db2.gz XJHJEPKXAJTYAM-QGZVFWFLSA-N 1 3 320.481 2.139 20 0 DEADHO CC[C@H](C(=O)NCCC[N@@H+](Cc1cccnc1)C(C)C)N(C)C ZINC001230784114 801490628 /nfs/dbraw/zinc/49/06/28/801490628.db2.gz XJHJEPKXAJTYAM-QGZVFWFLSA-N 1 3 320.481 2.139 20 0 DEADHO COCCN(Cc1cccc2c[nH]nc21)C1CC[NH+](C)CC1 ZINC001231971992 801760409 /nfs/dbraw/zinc/76/04/09/801760409.db2.gz WHSFODLKJRIXDU-UHFFFAOYSA-N 1 3 302.422 2.106 20 0 DEADHO CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001214855944 801766831 /nfs/dbraw/zinc/76/68/31/801766831.db2.gz RZWCQRMDCVAZTP-YHIDXVHFSA-N 1 3 307.482 2.119 20 0 DEADHO CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001214855920 801767384 /nfs/dbraw/zinc/76/73/84/801767384.db2.gz RKJPMKUFFNBWOH-OIISXLGYSA-N 1 3 309.498 2.343 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCC2)C1 ZINC001214990173 801787673 /nfs/dbraw/zinc/78/76/73/801787673.db2.gz CLUMBAITHJZSJV-GDBMZVCRSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC001215680691 801893724 /nfs/dbraw/zinc/89/37/24/801893724.db2.gz JGBLZIJLHFGBEC-ZTNYTRGMSA-N 1 3 324.428 2.102 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCF)C1 ZINC001215774421 801903540 /nfs/dbraw/zinc/90/35/40/801903540.db2.gz OUOGLSWEPCZZKV-BZUAXINKSA-N 1 3 313.461 2.045 20 0 DEADHO Cc1cc2ccc(NC(=O)[C@@H](N)CCCC[NH+](C)C)cc2[nH]1 ZINC001219375435 802318904 /nfs/dbraw/zinc/31/89/04/802318904.db2.gz OETUTDDTNBSKKD-HNNXBMFYSA-N 1 3 302.422 2.474 20 0 DEADHO CC/C=C/CCN1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001234344740 802358547 /nfs/dbraw/zinc/35/85/47/802358547.db2.gz CCOLKVGWJJOSLU-ZLKFPQNLSA-N 1 3 319.493 2.217 20 0 DEADHO CC(C)P(CCNC(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1)C(C)C ZINC001221254802 802543919 /nfs/dbraw/zinc/54/39/19/802543919.db2.gz UDUMYSKAHHUBSF-SOUVJXGZSA-N 1 3 314.410 2.168 20 0 DEADHO CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001221793125 802615440 /nfs/dbraw/zinc/61/54/40/802615440.db2.gz PPGNNKAKNBIJQZ-PUSMVSPTSA-N 1 3 321.509 2.462 20 0 DEADHO CC/C=C\CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001221793125 802615443 /nfs/dbraw/zinc/61/54/43/802615443.db2.gz PPGNNKAKNBIJQZ-PUSMVSPTSA-N 1 3 321.509 2.462 20 0 DEADHO CCCN1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001221876862 802623031 /nfs/dbraw/zinc/62/30/31/802623031.db2.gz YPMPBWAXLJYHKF-BRWVUGGUSA-N 1 3 309.498 2.296 20 0 DEADHO C[C@@H](F)CC[NH+]1CCC(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001223472330 802793194 /nfs/dbraw/zinc/79/31/94/802793194.db2.gz OGKRGOVXBMZHBB-CQSZACIVSA-N 1 3 313.461 2.047 20 0 DEADHO C[NH+](C)CCC(=O)NCC1CCN(Cc2ccc(F)cc2)CC1 ZINC001224326342 802858295 /nfs/dbraw/zinc/85/82/95/802858295.db2.gz QBIUILUPFSEZNR-UHFFFAOYSA-N 1 3 321.440 2.106 20 0 DEADHO C[C@H](F)CC[NH+]1CCC(CNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001224535168 802879242 /nfs/dbraw/zinc/87/92/42/802879242.db2.gz DIGHHSLCLYHKIL-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]C/C=C\Cl)C1 ZINC001418070727 1167394696 /nfs/dbraw/zinc/39/46/96/1167394696.db2.gz IFCYDAVUAIRXIP-QFPHHOLTSA-N 1 3 313.873 2.239 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(CCc2cccs2)C1 ZINC001370045186 1149365042 /nfs/dbraw/zinc/36/50/42/1149365042.db2.gz NLOHAGKIFVJYQK-HNNXBMFYSA-N 1 3 323.506 2.213 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCc2cccs2)C1 ZINC001370045186 1149365051 /nfs/dbraw/zinc/36/50/51/1149365051.db2.gz NLOHAGKIFVJYQK-HNNXBMFYSA-N 1 3 323.506 2.213 20 0 DEADHO CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](C)N1CCCCCC1 ZINC001331331727 1149420499 /nfs/dbraw/zinc/42/04/99/1149420499.db2.gz CIPPDKPGHMSTCO-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@]1(C)CC(=O)N(CN2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)C1 ZINC001335252588 1150390476 /nfs/dbraw/zinc/39/04/76/1150390476.db2.gz LNYZYQKZSJPXRW-LISAXSMJSA-N 1 3 307.482 2.255 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]C[C@H](O)c2ccccc2F)C[C@H](C)O1 ZINC001335941235 1150564542 /nfs/dbraw/zinc/56/45/42/1150564542.db2.gz JNSCBQXPMRAFAZ-DAYGRLMNSA-N 1 3 324.440 2.338 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1)N(C)C ZINC001368348702 1148421140 /nfs/dbraw/zinc/42/11/40/1148421140.db2.gz ODGXSJGXYGCXGP-BRWVUGGUSA-N 1 3 309.498 2.249 20 0 DEADHO CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1[C@H](C)CC[C@H]1C)C2 ZINC001368350965 1148421744 /nfs/dbraw/zinc/42/17/44/1148421744.db2.gz OESCXXONJNVYDP-OVYGPGRDSA-N 1 3 307.482 2.238 20 0 DEADHO CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1[C@H](C)CC[C@H]1C)C2 ZINC001368350965 1148421745 /nfs/dbraw/zinc/42/17/45/1148421745.db2.gz OESCXXONJNVYDP-OVYGPGRDSA-N 1 3 307.482 2.238 20 0 DEADHO CC(C)CCCN1CC[C@@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001368398778 1148433042 /nfs/dbraw/zinc/43/30/42/1148433042.db2.gz JKRNDDCWQNYGMP-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001368411211 1148437828 /nfs/dbraw/zinc/43/78/28/1148437828.db2.gz UVJRUNBBKLHUKJ-ULQDDVLXSA-N 1 3 309.498 2.249 20 0 DEADHO CC(=O)NCCC[N@@H+]1CCCC[C@@H]1[C@H](CN)Cc1ccccc1 ZINC001575011837 1069330542 /nfs/dbraw/zinc/33/05/42/1069330542.db2.gz HLURCAYHFKRMAR-RBUKOAKNSA-N 1 3 317.477 2.185 20 0 DEADHO CC(=O)NCCC[N@H+]1CCCC[C@@H]1[C@H](CN)Cc1ccccc1 ZINC001575011837 1069330555 /nfs/dbraw/zinc/33/05/55/1069330555.db2.gz HLURCAYHFKRMAR-RBUKOAKNSA-N 1 3 317.477 2.185 20 0 DEADHO CC(=O)NCCCN1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC001575011837 1069330571 /nfs/dbraw/zinc/33/05/71/1069330571.db2.gz HLURCAYHFKRMAR-RBUKOAKNSA-N 1 3 317.477 2.185 20 0 DEADHO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]CC2(CN)CCC2)C1(C)C ZINC001575212129 1069392502 /nfs/dbraw/zinc/39/25/02/1069392502.db2.gz FYKBDRVIQQYFSO-CHWSQXEVSA-N 1 3 311.470 2.397 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CCc1cccs1)N(C)C ZINC001425054692 1174149013 /nfs/dbraw/zinc/14/90/13/1174149013.db2.gz JTBSUSLBYAHPJR-HIFRSBDPSA-N 1 3 311.495 2.067 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CCc1cccs1)N(C)C ZINC001425054692 1174149016 /nfs/dbraw/zinc/14/90/16/1174149016.db2.gz JTBSUSLBYAHPJR-HIFRSBDPSA-N 1 3 311.495 2.067 20 0 DEADHO C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001603466917 1069972932 /nfs/dbraw/zinc/97/29/32/1069972932.db2.gz NULVBXPKFDCBAJ-SNVBAGLBSA-N 1 3 308.817 2.127 20 0 DEADHO C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001603466917 1069972935 /nfs/dbraw/zinc/97/29/35/1069972935.db2.gz NULVBXPKFDCBAJ-SNVBAGLBSA-N 1 3 308.817 2.127 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(F)cc1C ZINC001368990946 1148819719 /nfs/dbraw/zinc/81/97/19/1148819719.db2.gz CFXSAZQGBQNCDA-OAHLLOKOSA-N 1 3 323.456 2.412 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1C ZINC001368990946 1148819721 /nfs/dbraw/zinc/81/97/21/1148819721.db2.gz CFXSAZQGBQNCDA-OAHLLOKOSA-N 1 3 323.456 2.412 20 0 DEADHO CN(CCC[N@H+](C)CCC1CCCC1)C(=O)[C@@H]1CCCN1C ZINC001368530459 1148481142 /nfs/dbraw/zinc/48/11/42/1148481142.db2.gz UDSBLJRRKQCZGL-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CN(CCC[N@@H+](C)CCC1CCCC1)C(=O)[C@@H]1CCCN1C ZINC001368530459 1148481144 /nfs/dbraw/zinc/48/11/44/1148481144.db2.gz UDSBLJRRKQCZGL-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@H](NC(=O)CN1CC[C@@H](C)C1)C1C[NH+](CCC(C)(C)C)C1 ZINC001369092135 1148846979 /nfs/dbraw/zinc/84/69/79/1148846979.db2.gz MCKBSDSCXGGTBM-HUUCEWRRSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@H]1CCN(CC(=O)NC2CC(C[NH2+]CCCC3CCC3)C2)C1 ZINC001328915537 1148847679 /nfs/dbraw/zinc/84/76/79/1148847679.db2.gz NMOAXQUMUCDRPH-ZLPCBKJTSA-N 1 3 321.509 2.393 20 0 DEADHO CC1CCN(CC[C@@H]2CCC[N@@H+]2C[C@@H]2CCNC(=O)CC2)CC1 ZINC001460627671 1058482870 /nfs/dbraw/zinc/48/28/70/1058482870.db2.gz QFPXIJCNLYKHFC-ROUUACIJSA-N 1 3 321.509 2.489 20 0 DEADHO CC1CCN(CC[C@@H]2CCC[N@H+]2C[C@@H]2CCNC(=O)CC2)CC1 ZINC001460627671 1058482881 /nfs/dbraw/zinc/48/28/81/1058482881.db2.gz QFPXIJCNLYKHFC-ROUUACIJSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H](C(=O)N[C@@]1(C)CC[N@H+](CCCF)C1)N1CCCCCC1 ZINC001500265682 1058650266 /nfs/dbraw/zinc/65/02/66/1058650266.db2.gz SGAPVQQACCKTNF-RDJZCZTQSA-N 1 3 313.461 2.191 20 0 DEADHO C[C@@H](C(=O)N[C@@]1(C)CC[N@@H+](CCCF)C1)N1CCCCCC1 ZINC001500265682 1058650276 /nfs/dbraw/zinc/65/02/76/1058650276.db2.gz SGAPVQQACCKTNF-RDJZCZTQSA-N 1 3 313.461 2.191 20 0 DEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cc2ccccc2n(C)c1=O ZINC001462204175 1058778044 /nfs/dbraw/zinc/77/80/44/1058778044.db2.gz SEXPHVQDFXYWMI-PBHICJAKSA-N 1 3 313.445 2.311 20 0 DEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cc2ccccc2n(C)c1=O ZINC001462204175 1058778059 /nfs/dbraw/zinc/77/80/59/1058778059.db2.gz SEXPHVQDFXYWMI-PBHICJAKSA-N 1 3 313.445 2.311 20 0 DEADHO CN(CC(=O)NC[C@]1(C)CCC[N@H+](CCC2CC2)C1)C1CCC1 ZINC001500502205 1058860859 /nfs/dbraw/zinc/86/08/59/1058860859.db2.gz PCIIWSAWRRWKIB-IBGZPJMESA-N 1 3 321.509 2.489 20 0 DEADHO CN(CC(=O)NC[C@]1(C)CCC[N@@H+](CCC2CC2)C1)C1CCC1 ZINC001500502205 1058860880 /nfs/dbraw/zinc/86/08/80/1058860880.db2.gz PCIIWSAWRRWKIB-IBGZPJMESA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)N(C)CC(=O)NCc1ccccc1C[N@H+](C)CC1CC1 ZINC001501669631 1059621314 /nfs/dbraw/zinc/62/13/14/1059621314.db2.gz CHNAYHSNDLIJDC-UHFFFAOYSA-N 1 3 317.477 2.485 20 0 DEADHO CC(C)N(C)CC(=O)NCc1ccccc1C[N@@H+](C)CC1CC1 ZINC001501669631 1059621326 /nfs/dbraw/zinc/62/13/26/1059621326.db2.gz CHNAYHSNDLIJDC-UHFFFAOYSA-N 1 3 317.477 2.485 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC001467782015 1059699327 /nfs/dbraw/zinc/69/93/27/1059699327.db2.gz YIWVLKDWKOJQPB-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC001467782015 1059699338 /nfs/dbraw/zinc/69/93/38/1059699338.db2.gz YIWVLKDWKOJQPB-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC1CC(C)(C)C1)N(C)C ZINC001505940093 1061156214 /nfs/dbraw/zinc/15/62/14/1061156214.db2.gz VPZGXGAFJCWWSG-HOCLYGCPSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CC1CC(C)(C)C1)N(C)C ZINC001505940093 1061156221 /nfs/dbraw/zinc/15/62/21/1061156221.db2.gz VPZGXGAFJCWWSG-HOCLYGCPSA-N 1 3 311.514 2.445 20 0 DEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCN(C)[C@@H]2C)C1 ZINC001477866300 1061196675 /nfs/dbraw/zinc/19/66/75/1061196675.db2.gz ABSOBMVKGLQVJN-OAGGEKHMSA-N 1 3 324.513 2.279 20 0 DEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CCN(C)[C@@H]2C)C1 ZINC001477866300 1061196684 /nfs/dbraw/zinc/19/66/84/1061196684.db2.gz ABSOBMVKGLQVJN-OAGGEKHMSA-N 1 3 324.513 2.279 20 0 DEADHO CCCN(C(=O)CN1CC[C@@H](C)C1)C1CC[NH+](CC2CC2)CC1 ZINC001479995522 1062157879 /nfs/dbraw/zinc/15/78/79/1062157879.db2.gz PKAMBOWQDDSIKM-MRXNPFEDSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCCc1ccccc1 ZINC001480536671 1062998065 /nfs/dbraw/zinc/99/80/65/1062998065.db2.gz JDTGEWMHCAFGFQ-SJORKVTESA-N 1 3 317.477 2.055 20 0 DEADHO C[C@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CC1CCC1 ZINC001480538298 1063004226 /nfs/dbraw/zinc/00/42/26/1063004226.db2.gz WQWZDPYHWVJKDX-CXAGYDPISA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCc2ccccc2)C[C@H]1C ZINC001507338927 1063118221 /nfs/dbraw/zinc/11/82/21/1063118221.db2.gz LMEDJEKZTRLTMD-AEFFLSMTSA-N 1 3 317.477 2.148 20 0 DEADHO CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001480648316 1063143443 /nfs/dbraw/zinc/14/34/43/1063143443.db2.gz LCBAVCGDAGWDCL-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CCC1)N(C)C ZINC001480826578 1063410565 /nfs/dbraw/zinc/41/05/65/1063410565.db2.gz SELUQVALKPPINP-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)NCCC[C@@H]1CCC[N@H+]1CC1CCC1)N(C)C ZINC001480826578 1063410574 /nfs/dbraw/zinc/41/05/74/1063410574.db2.gz SELUQVALKPPINP-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CC1)N(C)C ZINC001480831153 1063417421 /nfs/dbraw/zinc/41/74/21/1063417421.db2.gz VXGNVDDPONTNTI-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](C(=O)NCCC[C@@H]1CCC[N@H+]1CC1CC1)N(C)C ZINC001480831153 1063417437 /nfs/dbraw/zinc/41/74/37/1063417437.db2.gz VXGNVDDPONTNTI-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CC1)N1CCCCCC1 ZINC001493139537 1063601028 /nfs/dbraw/zinc/60/10/28/1063601028.db2.gz IFTSMGZOFHMJAU-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1CC1)N1CCCCCC1 ZINC001493139537 1063601034 /nfs/dbraw/zinc/60/10/34/1063601034.db2.gz IFTSMGZOFHMJAU-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001493806392 1063969221 /nfs/dbraw/zinc/96/92/21/1063969221.db2.gz IPOHOIKXCIRPEZ-UHFFFAOYSA-N 1 3 317.477 2.452 20 0 DEADHO CC[C@H](F)CNCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001567570756 1064258782 /nfs/dbraw/zinc/25/87/82/1064258782.db2.gz GOWXAZLVIFTNKM-GJZGRUSLSA-N 1 3 301.450 2.045 20 0 DEADHO CC[C@H](F)CNCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001567570756 1064258790 /nfs/dbraw/zinc/25/87/90/1064258790.db2.gz GOWXAZLVIFTNKM-GJZGRUSLSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001368590815 1148512230 /nfs/dbraw/zinc/51/22/30/1148512230.db2.gz OAPBFONMECLQBH-CKEIUWERSA-N 1 3 313.461 2.092 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC2C[NH+](CCC3=CCCCC3)C2)C1 ZINC001494594944 1064340677 /nfs/dbraw/zinc/34/06/77/1064340677.db2.gz XFBCAOWFXMSBDL-MRXNPFEDSA-N 1 3 319.493 2.267 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H](CC[NH2+]CC2CCC2)C1 ZINC001568075564 1064634742 /nfs/dbraw/zinc/63/47/42/1064634742.db2.gz DFQTUQAXFFXIHC-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](CNC(=O)[C@H](C)N1CCCCCC1)C[NH2+]CCC1CC1 ZINC001568196401 1064696817 /nfs/dbraw/zinc/69/68/17/1064696817.db2.gz FALJHUZMQMQVGW-HOTGVXAUSA-N 1 3 309.498 2.393 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CC[NH2+]CCc1cccs1 ZINC001568703568 1065063115 /nfs/dbraw/zinc/06/31/15/1065063115.db2.gz PTUGBJTZEPIHOZ-LBPRGKRZSA-N 1 3 320.462 2.049 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)CN(C)C(C)C)cc1 ZINC001495811078 1065122823 /nfs/dbraw/zinc/12/28/23/1065122823.db2.gz DHFJJEBFYKWWMC-INIZCTEOSA-N 1 3 305.466 2.177 20 0 DEADHO Cc1cc(C)cc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001569188960 1065353148 /nfs/dbraw/zinc/35/31/48/1065353148.db2.gz OQVFORRTFURIGO-SFHVURJKSA-N 1 3 317.477 2.336 20 0 DEADHO CN(CCC[NH2+]Cc1ccc(CF)cc1)C(=O)Cc1c[nH]cn1 ZINC001569242978 1065389857 /nfs/dbraw/zinc/38/98/57/1065389857.db2.gz OURKPTUORSBDNP-UHFFFAOYSA-N 1 3 318.396 2.060 20 0 DEADHO CC(C)CC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001496347370 1065419649 /nfs/dbraw/zinc/41/96/49/1065419649.db2.gz YMWPITOJRPXBGZ-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1[NH2+]CC1CC1 ZINC001496361621 1065427854 /nfs/dbraw/zinc/42/78/54/1065427854.db2.gz WFZDAMXARPWAJX-GOEBONIOSA-N 1 3 309.498 2.201 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]C/C=C/Cl ZINC001496488160 1065504925 /nfs/dbraw/zinc/50/49/25/1065504925.db2.gz ONYJWAZUADONPT-ODYMAQSMSA-N 1 3 315.889 2.297 20 0 DEADHO CCc1ccc(CN(C)CCN(C)C(=O)CC[NH+](C)C)cc1 ZINC001496776683 1065705216 /nfs/dbraw/zinc/70/52/16/1065705216.db2.gz GFBZYHPJAAGHEX-UHFFFAOYSA-N 1 3 305.466 2.091 20 0 DEADHO CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CCCN2C(C)C)CCC1 ZINC001570103709 1065925297 /nfs/dbraw/zinc/92/52/97/1065925297.db2.gz DZWGSAUXNIKCOX-MRXNPFEDSA-N 1 3 307.482 2.454 20 0 DEADHO CC(C)=CC[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@H]2C)CCC1 ZINC001570127401 1065934763 /nfs/dbraw/zinc/93/47/63/1065934763.db2.gz FBMUPHUYLJCZBV-HZPDHXFCSA-N 1 3 307.482 2.454 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CCCCCF ZINC001570343890 1066022965 /nfs/dbraw/zinc/02/29/65/1066022965.db2.gz GBUMSPFOEXQFDA-HOCLYGCPSA-N 1 3 313.461 2.047 20 0 DEADHO CC/C=C/CC[NH2+]C1(C)CCN(C(=O)CN2CCCC2)CC1 ZINC001570385282 1066042387 /nfs/dbraw/zinc/04/23/87/1066042387.db2.gz BATPWKMIBZSKHY-SNAWJCMRSA-N 1 3 307.482 2.409 20 0 DEADHO CCN(CC[NH2+]Cc1csc(C)c1)C(=O)CN(C)C1CCC1 ZINC001497400259 1066073773 /nfs/dbraw/zinc/07/37/73/1066073773.db2.gz CLPYSJIYNBHSIR-UHFFFAOYSA-N 1 3 323.506 2.479 20 0 DEADHO C[C@@H](CCN)[NH2+]CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001575961125 1066466911 /nfs/dbraw/zinc/46/69/11/1066466911.db2.gz BJNRFDTVFKPOGI-AVOUXACISA-N 1 3 311.470 2.491 20 0 DEADHO CC1(C)[C@@H]2NCCC[C@@H]2[C@@H]1[NH2+]C1CCN(c2ccccn2)CC1 ZINC001576383296 1066582871 /nfs/dbraw/zinc/58/28/71/1066582871.db2.gz IEMDFBMMQISHFW-JQHSSLGASA-N 1 3 314.477 2.417 20 0 DEADHO C[C@@H](C[N@H+](C)CCC1CCCC1)NC(=O)CN(C)C1CCC1 ZINC001498312302 1066628251 /nfs/dbraw/zinc/62/82/51/1066628251.db2.gz IWAFYWUUKKSFSI-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](C[N@@H+](C)CCC1CCCC1)NC(=O)CN(C)C1CCC1 ZINC001498312302 1066628254 /nfs/dbraw/zinc/62/82/54/1066628254.db2.gz IWAFYWUUKKSFSI-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)C[C@@H](C)N1 ZINC001576772172 1066686822 /nfs/dbraw/zinc/68/68/22/1066686822.db2.gz KWITXVZDLZYNHH-INMHGKMJSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)C[C@@H](C)N1 ZINC001576772172 1066686823 /nfs/dbraw/zinc/68/68/23/1066686823.db2.gz KWITXVZDLZYNHH-INMHGKMJSA-N 1 3 322.497 2.175 20 0 DEADHO CN(CCC[NH2+]CCCc1ccsc1)C(=O)[C@@H]1CCCN1C ZINC001498526342 1066762792 /nfs/dbraw/zinc/76/27/92/1066762792.db2.gz QENDURKFMLWLPY-INIZCTEOSA-N 1 3 323.506 2.213 20 0 DEADHO CC[NH2+]CC(=O)N(C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001577830553 1066935903 /nfs/dbraw/zinc/93/59/03/1066935903.db2.gz YBRPNTAMNSMTIL-QGZVFWFLSA-N 1 3 303.450 2.107 20 0 DEADHO CCOC1(CNCc2ccc(N3CC[NH2+]CC3)o2)CCCC1 ZINC001578078486 1066978558 /nfs/dbraw/zinc/97/85/58/1066978558.db2.gz VNNLWVLRJMBWAP-UHFFFAOYSA-N 1 3 307.438 2.128 20 0 DEADHO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc2c(c1)CNC2 ZINC001578528423 1067124661 /nfs/dbraw/zinc/12/46/61/1067124661.db2.gz GBXUVIPGISVPQK-MRXNPFEDSA-N 1 3 301.434 2.140 20 0 DEADHO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc2c(c1)CNC2 ZINC001578528423 1067124663 /nfs/dbraw/zinc/12/46/63/1067124663.db2.gz GBXUVIPGISVPQK-MRXNPFEDSA-N 1 3 301.434 2.140 20 0 DEADHO Cc1ccccc1C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001267004682 1078493313 /nfs/dbraw/zinc/49/33/13/1078493313.db2.gz HDCZYKBYSZQIBP-QGZVFWFLSA-N 1 3 305.466 2.129 20 0 DEADHO Cc1c(C[C@H](CN)C[N@@H+](C)[C@@H](C)Cc2cccs2)cnn1C ZINC001579530602 1067361742 /nfs/dbraw/zinc/36/17/42/1067361742.db2.gz WCRXHPLWMPUSKE-DZGCQCFKSA-N 1 3 320.506 2.470 20 0 DEADHO Cc1c(C[C@H](CN)C[N@H+](C)[C@@H](C)Cc2cccs2)cnn1C ZINC001579530602 1067361753 /nfs/dbraw/zinc/36/17/53/1067361753.db2.gz WCRXHPLWMPUSKE-DZGCQCFKSA-N 1 3 320.506 2.470 20 0 DEADHO Cc1c(C[C@H](C[NH3+])CN(C)[C@@H](C)Cc2cccs2)cnn1C ZINC001579530602 1067361767 /nfs/dbraw/zinc/36/17/67/1067361767.db2.gz WCRXHPLWMPUSKE-DZGCQCFKSA-N 1 3 320.506 2.470 20 0 DEADHO Cc1c(C[C@@H](CN)C[NH2+]C[C@@H]2CCCCC2(F)F)cnn1C ZINC001579530853 1067362741 /nfs/dbraw/zinc/36/27/41/1067362741.db2.gz YYZUQXFHVWQUFT-ZFWWWQNUSA-N 1 3 314.424 2.261 20 0 DEADHO Cc1c(C[C@@H](C[NH3+])CNC[C@@H]2CCCCC2(F)F)cnn1C ZINC001579530853 1067362751 /nfs/dbraw/zinc/36/27/51/1067362751.db2.gz YYZUQXFHVWQUFT-ZFWWWQNUSA-N 1 3 314.424 2.261 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CCc2cccs2)C1)N(C)C ZINC001267059040 1078535963 /nfs/dbraw/zinc/53/59/63/1078535963.db2.gz RLOJNWLZZDFPHY-HOCLYGCPSA-N 1 3 323.506 2.069 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1CC(C[NH2+]CCCC2CCC2)C1 ZINC001570578185 1068017615 /nfs/dbraw/zinc/01/76/15/1068017615.db2.gz IJCCQWUMEIHVOV-UHFFFAOYSA-N 1 3 318.465 2.325 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCCCCF)C[C@H]1C ZINC001571493548 1068352505 /nfs/dbraw/zinc/35/25/05/1068352505.db2.gz SFKJAGXSZXFTGC-HUUCEWRRSA-N 1 3 301.450 2.045 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CCC1CCCC1 ZINC001267474755 1078895950 /nfs/dbraw/zinc/89/59/50/1078895950.db2.gz UIVKBUBMOUDZCN-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CN(C)C1(C(=O)NCC2([NH2+]CCc3cccs3)CC2)CCC1 ZINC001483740650 1078974125 /nfs/dbraw/zinc/97/41/25/1078974125.db2.gz NIKJHWVKGVLAFG-UHFFFAOYSA-N 1 3 321.490 2.013 20 0 DEADHO C[C@H]1C[C@@H]2CC[C@@H](C(=O)N3CCN(C4CC4)C[C@H](C)C3)C[N@@H+]2C1 ZINC001548711021 1072828616 /nfs/dbraw/zinc/82/86/16/1072828616.db2.gz ZZNBFRPGHHEURA-CUSZFKRNSA-N 1 3 319.493 2.050 20 0 DEADHO C[C@H]1C[C@@H]2CC[C@@H](C(=O)N3CCN(C4CC4)C[C@H](C)C3)C[N@H+]2C1 ZINC001548711021 1072828622 /nfs/dbraw/zinc/82/86/22/1072828622.db2.gz ZZNBFRPGHHEURA-CUSZFKRNSA-N 1 3 319.493 2.050 20 0 DEADHO O=C([C@H]1CCCCN1C1CCCC1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001645814204 1079006103 /nfs/dbraw/zinc/00/61/03/1079006103.db2.gz WIVURMLNFCHILN-ZWKOTPCHSA-N 1 3 319.493 2.480 20 0 DEADHO O=C([C@H]1CCCCN1C1CCCC1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001645814204 1079006110 /nfs/dbraw/zinc/00/61/10/1079006110.db2.gz WIVURMLNFCHILN-ZWKOTPCHSA-N 1 3 319.493 2.480 20 0 DEADHO C[C@@H]1C[C@H](NC[C@H]2C[C@H](F)CN2Cc2cccs2)CC[NH2+]1 ZINC001549039195 1072992031 /nfs/dbraw/zinc/99/20/31/1072992031.db2.gz XELWDBVBWFXKDY-LXTVHRRPSA-N 1 3 311.470 2.391 20 0 DEADHO C[NH2+][C@@H](C)CCNC(=O)N(CCN(C)C)CC1CCCCC1 ZINC001645848187 1079024986 /nfs/dbraw/zinc/02/49/86/1079024986.db2.gz UYTRFTUPDCODQA-HNNXBMFYSA-N 1 3 312.502 2.138 20 0 DEADHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCCN(C)C2)[C@H](n2cncn2)C1 ZINC001549547490 1073188842 /nfs/dbraw/zinc/18/88/42/1073188842.db2.gz VPAZKGDKQJJFLM-LTIDMASMSA-N 1 3 305.470 2.329 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N[C@@H]1C[NH2+]C[C@@H]1c1ccccc1 ZINC001550075482 1073412942 /nfs/dbraw/zinc/41/29/42/1073412942.db2.gz DRNDNKIIWHRTMX-CEXWTWQISA-N 1 3 321.424 2.093 20 0 DEADHO Cc1cc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@@H]2O)sn1 ZINC001550422527 1073646943 /nfs/dbraw/zinc/64/69/43/1073646943.db2.gz XYASLAUIJUAEIM-QXSJWSMHSA-N 1 3 309.479 2.021 20 0 DEADHO Cc1cc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@@H]2O)sn1 ZINC001550422527 1073646950 /nfs/dbraw/zinc/64/69/50/1073646950.db2.gz XYASLAUIJUAEIM-QXSJWSMHSA-N 1 3 309.479 2.021 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3scnc3C)[C@@H](O)C2)[C@H]1C(C)C ZINC001550424232 1073650616 /nfs/dbraw/zinc/65/06/16/1073650616.db2.gz ZYZSRZREIWQTES-WTTBNOFXSA-N 1 3 323.506 2.411 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3scnc3C)[C@@H](O)C2)[C@H]1C(C)C ZINC001550424232 1073650621 /nfs/dbraw/zinc/65/06/21/1073650621.db2.gz ZYZSRZREIWQTES-WTTBNOFXSA-N 1 3 323.506 2.411 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)N1CCCC1 ZINC001481072239 1079150099 /nfs/dbraw/zinc/15/00/99/1079150099.db2.gz WDQGZIPIZWTDKF-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)N1CCCC1 ZINC001481072239 1079150103 /nfs/dbraw/zinc/15/01/03/1079150103.db2.gz WDQGZIPIZWTDKF-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CCCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001481096575 1079179882 /nfs/dbraw/zinc/17/98/82/1079179882.db2.gz TWBOODBIVJHWPB-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO CCCCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001481096575 1079179886 /nfs/dbraw/zinc/17/98/86/1079179886.db2.gz TWBOODBIVJHWPB-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@@H]2CC[N@H+](CCCC3CCC3)C2)C1 ZINC001481110982 1079196032 /nfs/dbraw/zinc/19/60/32/1079196032.db2.gz DXVKNRIHLKIRGZ-WMZOPIPTSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@@H]2CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001481110982 1079196035 /nfs/dbraw/zinc/19/60/35/1079196035.db2.gz DXVKNRIHLKIRGZ-WMZOPIPTSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)c1nccn1C ZINC001551387784 1074200797 /nfs/dbraw/zinc/20/07/97/1074200797.db2.gz CNHWTLRFMZWTQG-HPUBIQBYSA-N 1 3 306.454 2.104 20 0 DEADHO C[C@@H](NC1CCC(C)([NH+]2CCOCC2)CC1)c1nccn1C ZINC001551387784 1074200799 /nfs/dbraw/zinc/20/07/99/1074200799.db2.gz CNHWTLRFMZWTQG-HPUBIQBYSA-N 1 3 306.454 2.104 20 0 DEADHO Cc1ncncc1[C@@H](C)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001551402257 1074206866 /nfs/dbraw/zinc/20/68/66/1074206866.db2.gz UETFQGKAFZTHHF-KLHKWILBSA-N 1 3 318.465 2.469 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001551425161 1074213295 /nfs/dbraw/zinc/21/32/95/1074213295.db2.gz LKVNNQKLIXRAMF-BQJWPVKWSA-N 1 3 307.482 2.048 20 0 DEADHO O[C@H]1CCCC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001551466518 1074230300 /nfs/dbraw/zinc/23/03/00/1074230300.db2.gz MTTAFGCDOXLBEY-ROUUACIJSA-N 1 3 303.450 2.187 20 0 DEADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CC2CCC(O)CC2)CC1 ZINC001649821049 1079236561 /nfs/dbraw/zinc/23/65/61/1079236561.db2.gz BSRGXYVYUIEUET-YXWAVELNSA-N 1 3 323.525 2.028 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NC2CCC3(C[C@H]3[NH3+])CC2)CC1 ZINC001551550100 1074261895 /nfs/dbraw/zinc/26/18/95/1074261895.db2.gz LMRNAQWMPWBWIQ-SWKXRBFHSA-N 1 3 322.497 2.162 20 0 DEADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)N[C@H](C)c1ccccc1F ZINC001369274661 1148888472 /nfs/dbraw/zinc/88/84/72/1148888472.db2.gz HEZBMRYXUWHRHE-ZIAGYGMSSA-N 1 3 309.429 2.275 20 0 DEADHO C[NH2+]C[C@H]1CCCCN1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC001646191124 1074367173 /nfs/dbraw/zinc/36/71/73/1074367173.db2.gz ONKGXPSSHUKAQU-SJORKVTESA-N 1 3 318.465 2.073 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001551886780 1074410480 /nfs/dbraw/zinc/41/04/80/1074410480.db2.gz XUUOSXSQUCLMAU-YTQUADARSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001551886780 1074410485 /nfs/dbraw/zinc/41/04/85/1074410485.db2.gz XUUOSXSQUCLMAU-YTQUADARSA-N 1 3 319.493 2.194 20 0 DEADHO CN(C(=O)[C@H]1CCCC[NH2+]C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001552394902 1074566169 /nfs/dbraw/zinc/56/61/69/1074566169.db2.gz BIVHCZGXPVQHFP-ROUUACIJSA-N 1 3 315.461 2.109 20 0 DEADHO CN(C)C[C@@H](NC(=O)[C@@H]1CCCC[NH2+]C1)c1ccc(Cl)cc1 ZINC001552427713 1074575111 /nfs/dbraw/zinc/57/51/11/1074575111.db2.gz RHASPTDFROVALZ-GDBMZVCRSA-N 1 3 323.868 2.449 20 0 DEADHO C[C@H]1CCCN(C(=O)c2cccc3c2CNC3)[C@H]1CCC[NH3+] ZINC001552440004 1074576015 /nfs/dbraw/zinc/57/60/15/1074576015.db2.gz HZXXURDTYMJQGD-GUYCJALGSA-N 1 3 301.434 2.269 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC001646777500 1074614265 /nfs/dbraw/zinc/61/42/65/1074614265.db2.gz RVYFMKAGTGMMKH-MRXNPFEDSA-N 1 3 317.433 2.228 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)[C@@H](N)C3CCCCCC3)C[C@@H]2C1 ZINC001646835944 1074641898 /nfs/dbraw/zinc/64/18/98/1074641898.db2.gz VRKHZNKDLIWJGC-XDNAFOTISA-N 1 3 321.509 2.473 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@]1(C)CCC[N@H+](CCC2CC2)C1 ZINC001484172366 1079338171 /nfs/dbraw/zinc/33/81/71/1079338171.db2.gz DWVODQWHPXSLLE-SFHVURJKSA-N 1 3 318.465 2.279 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@]1(C)CCC[N@@H+](CCC2CC2)C1 ZINC001484172366 1079338175 /nfs/dbraw/zinc/33/81/75/1079338175.db2.gz DWVODQWHPXSLLE-SFHVURJKSA-N 1 3 318.465 2.279 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001484165320 1079340529 /nfs/dbraw/zinc/34/05/29/1079340529.db2.gz RCJMYOMQNINUSP-SFHVURJKSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[N@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001484165320 1079340532 /nfs/dbraw/zinc/34/05/32/1079340532.db2.gz RCJMYOMQNINUSP-SFHVURJKSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001649286722 1075019313 /nfs/dbraw/zinc/01/93/13/1075019313.db2.gz PXRWQDJFZYAFAP-UKRRQHHQSA-N 1 3 322.497 2.031 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)NCCC(C)(C)[NH3+] ZINC001650002713 1079351326 /nfs/dbraw/zinc/35/13/26/1079351326.db2.gz CPJYKQGAMPFICM-UHFFFAOYSA-N 1 3 312.502 2.267 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001565872371 1075061165 /nfs/dbraw/zinc/06/11/65/1075061165.db2.gz MUGKDYVJRDFIGA-SZMVWBNQSA-N 1 3 321.509 2.393 20 0 DEADHO CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001565986721 1075213031 /nfs/dbraw/zinc/21/30/31/1075213031.db2.gz LJGOOKLMTJEMLG-GDBMZVCRSA-N 1 3 306.454 2.359 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)NCCCN(Cc2ccsc2)C2CC2)C1 ZINC001566602697 1075294107 /nfs/dbraw/zinc/29/41/07/1075294107.db2.gz LHARJVHXORKUAV-OAHLLOKOSA-N 1 3 321.490 2.171 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)NCCCN(Cc2ccsc2)C2CC2)C1 ZINC001566602697 1075294109 /nfs/dbraw/zinc/29/41/09/1075294109.db2.gz LHARJVHXORKUAV-OAHLLOKOSA-N 1 3 321.490 2.171 20 0 DEADHO CCCC[NH2+][C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001566773782 1075341303 /nfs/dbraw/zinc/34/13/03/1075341303.db2.gz QBQLRIMFWZJRBO-WMLDXEAASA-N 1 3 313.461 2.190 20 0 DEADHO CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001567116288 1075435660 /nfs/dbraw/zinc/43/56/60/1075435660.db2.gz MUQVIBXDHUXXPI-CSLAMCDYSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)CCC[NH2+]C[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001567141334 1075442474 /nfs/dbraw/zinc/44/24/74/1075442474.db2.gz ZFZKBOFEPFMTFY-IAGOWNOFSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC[C@H](O)CC2(CO)CCCC2)C1 ZINC001650160753 1079427980 /nfs/dbraw/zinc/42/79/80/1079427980.db2.gz NXKQWQTTZCYNBZ-JKSUJKDBSA-N 1 3 312.498 2.000 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@@H](CNC[C@H](O)CC2(CO)CCCC2)C1 ZINC001650160753 1079427982 /nfs/dbraw/zinc/42/79/82/1079427982.db2.gz NXKQWQTTZCYNBZ-JKSUJKDBSA-N 1 3 312.498 2.000 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@H]2CCCCN(C)C2)c1 ZINC001650161543 1079428620 /nfs/dbraw/zinc/42/86/20/1079428620.db2.gz VOCMIJRVWUIGRV-QZTJIDSGSA-N 1 3 320.477 2.365 20 0 DEADHO O=C(C[C@H]1NCc2ccccc21)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001580523274 1075942591 /nfs/dbraw/zinc/94/25/91/1075942591.db2.gz RFTSRFXZCJEWDB-FUHWJXTLSA-N 1 3 313.445 2.354 20 0 DEADHO O=C(C[C@H]1NCc2ccccc21)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC001580523274 1075942597 /nfs/dbraw/zinc/94/25/97/1075942597.db2.gz RFTSRFXZCJEWDB-FUHWJXTLSA-N 1 3 313.445 2.354 20 0 DEADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc2c(c1)CNC2 ZINC001580661971 1075971789 /nfs/dbraw/zinc/97/17/89/1075971789.db2.gz WWORFIAPCRVJQV-SFHVURJKSA-N 1 3 313.445 2.427 20 0 DEADHO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc2c(c1)CNC2 ZINC001580661971 1075971793 /nfs/dbraw/zinc/97/17/93/1075971793.db2.gz WWORFIAPCRVJQV-SFHVURJKSA-N 1 3 313.445 2.427 20 0 DEADHO C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589962282 1076536765 /nfs/dbraw/zinc/53/67/65/1076536765.db2.gz RQBAVQRZQUVLEF-NSHDSACASA-N 1 3 318.400 2.046 20 0 DEADHO C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001589962282 1076536768 /nfs/dbraw/zinc/53/67/68/1076536768.db2.gz RQBAVQRZQUVLEF-NSHDSACASA-N 1 3 318.400 2.046 20 0 DEADHO C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC001609109535 1077764534 /nfs/dbraw/zinc/76/45/34/1077764534.db2.gz DVEXJMOITKSITP-GHMZBOCLSA-N 1 3 306.389 2.174 20 0 DEADHO C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC001609109535 1077764539 /nfs/dbraw/zinc/76/45/39/1077764539.db2.gz DVEXJMOITKSITP-GHMZBOCLSA-N 1 3 306.389 2.174 20 0 DEADHO CC(C)C[C@@](C)(C[NH3+])C(=O)NC[C@H](c1ccccc1)N(C)C ZINC001650334262 1079535350 /nfs/dbraw/zinc/53/53/50/1079535350.db2.gz ZXSKZDHVQMHRGB-AEFFLSMTSA-N 1 3 305.466 2.417 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3[NH2+]2)CN1C1CC1 ZINC001650340986 1079542255 /nfs/dbraw/zinc/54/22/55/1079542255.db2.gz JIKWOZVKTHNZAP-PYOKUCOHSA-N 1 3 305.466 2.039 20 0 DEADHO CC[NH+](CC)CC[C@@H](C)NC(=O)NC[C@H]1CCN1C(C)(C)C ZINC001650354173 1079554452 /nfs/dbraw/zinc/55/44/52/1079554452.db2.gz COGQIKFKPBIBAE-HUUCEWRRSA-N 1 3 312.502 2.279 20 0 DEADHO CC[C@H](C)C[C@@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC001650369353 1079567422 /nfs/dbraw/zinc/56/74/22/1079567422.db2.gz WZAQLNNYEUBJKX-RKTXRCNFSA-N 1 3 303.450 2.012 20 0 DEADHO CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001484367373 1079570220 /nfs/dbraw/zinc/57/02/20/1079570220.db2.gz CPUPYPFLYZDRCC-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CCC[NH2+]C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001484385322 1079577660 /nfs/dbraw/zinc/57/76/60/1079577660.db2.gz YDESOKKSIYFQDG-QAPCUYQASA-N 1 3 317.477 2.456 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001484389952 1079579297 /nfs/dbraw/zinc/57/92/97/1079579297.db2.gz AUTJTNIHOUVCQK-MUJYYYPQSA-N 1 3 316.449 2.030 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001484389952 1079579299 /nfs/dbraw/zinc/57/92/99/1079579299.db2.gz AUTJTNIHOUVCQK-MUJYYYPQSA-N 1 3 316.449 2.030 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[NH2+]CC[C@@H]1CCCC1(F)F)N(C)C ZINC001481304652 1079695253 /nfs/dbraw/zinc/69/52/53/1079695253.db2.gz YAZZGCINGCIRFO-KBPBESRZSA-N 1 3 319.440 2.200 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[NH2+]Cc1ccc(Cl)s1 ZINC001481320005 1079716371 /nfs/dbraw/zinc/71/63/71/1079716371.db2.gz SGULWXIGWPBCDX-UHFFFAOYSA-N 1 3 317.886 2.290 20 0 DEADHO CC(C)=CCN[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001481372012 1079763905 /nfs/dbraw/zinc/76/39/05/1079763905.db2.gz IVCZESKMEVTZOB-ROUUACIJSA-N 1 3 315.461 2.351 20 0 DEADHO CC(C)=CCN[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001481372012 1079763908 /nfs/dbraw/zinc/76/39/08/1079763908.db2.gz IVCZESKMEVTZOB-ROUUACIJSA-N 1 3 315.461 2.351 20 0 DEADHO CCCCCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001484887541 1079837733 /nfs/dbraw/zinc/83/77/33/1079837733.db2.gz JPNMGPWHMBIOHG-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO CCCCCC[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001484887543 1079837921 /nfs/dbraw/zinc/83/79/21/1079837921.db2.gz JPNMGPWHMBIOHG-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001481460088 1079900362 /nfs/dbraw/zinc/90/03/62/1079900362.db2.gz VAXAYPKGQHPCGL-HNNXBMFYSA-N 1 3 323.506 2.418 20 0 DEADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001481460088 1079900367 /nfs/dbraw/zinc/90/03/67/1079900367.db2.gz VAXAYPKGQHPCGL-HNNXBMFYSA-N 1 3 323.506 2.418 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]Cc1ccsc1 ZINC001485156828 1080028694 /nfs/dbraw/zinc/02/86/94/1080028694.db2.gz PUIFOZFAXPVTEB-QWHCGFSZSA-N 1 3 309.479 2.215 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2CC[NH2+]CCCF)C1 ZINC001268163897 1080141856 /nfs/dbraw/zinc/14/18/56/1080141856.db2.gz RXNBZXFLZLEEID-CVEARBPZSA-N 1 3 313.461 2.049 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]C/C=C\Cl)CCC1 ZINC001268278240 1080258705 /nfs/dbraw/zinc/25/87/05/1080258705.db2.gz NEZMVQQMLUZEPG-HXASAQQASA-N 1 3 313.873 2.098 20 0 DEADHO CCc1cccc(CN2CC([C@H](C)NC(=O)CC[NH+](C)C)C2)c1 ZINC001485523377 1080280321 /nfs/dbraw/zinc/28/03/21/1080280321.db2.gz RUDWGCCEMUQDDJ-HNNXBMFYSA-N 1 3 317.477 2.137 20 0 DEADHO CC[C@@H](F)CN(C)CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001660321743 1080310880 /nfs/dbraw/zinc/31/08/80/1080310880.db2.gz KWZZPDNIQLKADA-HZPDHXFCSA-N 1 3 315.477 2.436 20 0 DEADHO CC[C@@H](F)CN(C)CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001660321743 1080310886 /nfs/dbraw/zinc/31/08/86/1080310886.db2.gz KWZZPDNIQLKADA-HZPDHXFCSA-N 1 3 315.477 2.436 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cccc(C)c1)N(C)C ZINC001268374708 1080391823 /nfs/dbraw/zinc/39/18/23/1080391823.db2.gz LEICUKQZDZTYRI-DOTOQJQBSA-N 1 3 305.466 2.320 20 0 DEADHO Cc1ccccc1C[NH2+]CC[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001268400061 1080426108 /nfs/dbraw/zinc/42/61/08/1080426108.db2.gz QADUZVPWNSMVSO-NVXWUHKLSA-N 1 3 317.477 2.321 20 0 DEADHO CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001661655213 1080503789 /nfs/dbraw/zinc/50/37/89/1080503789.db2.gz ZBLUYBLTYDQTLK-VBQJREDUSA-N 1 3 313.461 2.236 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NC1(C[NH2+]CC2CC2)CCCC1 ZINC001481913267 1080601525 /nfs/dbraw/zinc/60/15/25/1080601525.db2.gz RPTPQNKBIQKASX-GJZGRUSLSA-N 1 3 307.482 2.288 20 0 DEADHO CC1CC(C[NH2+]C/C=C/CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001268591459 1080837397 /nfs/dbraw/zinc/83/73/97/1080837397.db2.gz QUHYQBDSNUYXCG-VOTSOKGWSA-N 1 3 309.498 2.272 20 0 DEADHO CC[C@H](C(=O)NC/C=C\C[NH2+][C@@H](C)c1ccc(F)cc1)N(C)C ZINC001268617836 1080894986 /nfs/dbraw/zinc/89/49/86/1080894986.db2.gz OTATWIPVCQMRPX-GRQQHNRBSA-N 1 3 321.440 2.489 20 0 DEADHO CC(C)[C@@H](C(=O)NC/C=C\C[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001268619119 1080895890 /nfs/dbraw/zinc/89/58/90/1080895890.db2.gz YJXHELQBNGWUGF-OSJSJHBBSA-N 1 3 321.509 2.415 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[NH2+]Cc1ccc(C)c(F)c1 ZINC001664324132 1080896151 /nfs/dbraw/zinc/89/61/51/1080896151.db2.gz FIPRTDPRDWOPQK-UHFFFAOYSA-N 1 3 309.429 2.024 20 0 DEADHO C[C@H]([NH2+]CCCN(C)C(=O)[C@H]1CCCN1C)c1ccc(F)cc1 ZINC001268784123 1080989924 /nfs/dbraw/zinc/98/99/24/1080989924.db2.gz RMMPEFVNNKXSDV-WMLDXEAASA-N 1 3 321.440 2.419 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)CCC[NH2+]CCC2CCCC2)C1 ZINC001268846982 1081018774 /nfs/dbraw/zinc/01/87/74/1081018774.db2.gz BUVACDRCYINQHQ-INIZCTEOSA-N 1 3 309.498 2.347 20 0 DEADHO CCCCC[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001667177370 1081219961 /nfs/dbraw/zinc/21/99/61/1081219961.db2.gz WAZZTNOQDXUUDT-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001668279094 1081335930 /nfs/dbraw/zinc/33/59/30/1081335930.db2.gz PIZUTAUJSWMIEF-RHSMWYFYSA-N 1 3 323.456 2.459 20 0 DEADHO CCc1ccccc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCN1C ZINC001668746510 1081390552 /nfs/dbraw/zinc/39/05/52/1081390552.db2.gz ZCLSNQDYSZAYPV-DKFQHHCZSA-N 1 3 315.461 2.105 20 0 DEADHO CC[C@H](C(=O)NC/C=C/C[NH2+]Cc1ccccc1C)N(C)C ZINC001668883983 1081406743 /nfs/dbraw/zinc/40/67/43/1081406743.db2.gz WOEIJHCOAPFZSB-KBOKABMXSA-N 1 3 303.450 2.097 20 0 DEADHO Cc1ccccc1C[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)N(C)C ZINC001669150516 1081432871 /nfs/dbraw/zinc/43/28/71/1081432871.db2.gz IVBLMGLOAIUWRQ-GFOMBABLSA-N 1 3 317.477 2.343 20 0 DEADHO CC(C)N(C)CC(=O)NC/C=C\C[NH2+]Cc1ccc(Cl)cc1 ZINC001669209098 1081438787 /nfs/dbraw/zinc/43/87/87/1081438787.db2.gz YBIVLENPMUNPDJ-PLNGDYQASA-N 1 3 323.868 2.442 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC001270175260 1081466209 /nfs/dbraw/zinc/46/62/09/1081466209.db2.gz XECSTYDTTPUHRG-GOSISDBHSA-N 1 3 317.477 2.152 20 0 DEADHO CC/C=C\CC[NH2+]C[C@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001270263516 1081489171 /nfs/dbraw/zinc/48/91/71/1081489171.db2.gz NTHSRZVSTJUXAC-PPPANMTLSA-N 1 3 307.482 2.265 20 0 DEADHO O=C(c1ccn2cncc2c1)N1CC2(CC[N@@H+]2C2CCCC2)C1 ZINC001270542338 1081545910 /nfs/dbraw/zinc/54/59/10/1081545910.db2.gz QVBHGENPMGGNTA-UHFFFAOYSA-N 1 3 310.401 2.177 20 0 DEADHO O=C(c1ccn2cncc2c1)N1CC2(CC[N@H+]2C2CCCC2)C1 ZINC001270542338 1081545912 /nfs/dbraw/zinc/54/59/12/1081545912.db2.gz QVBHGENPMGGNTA-UHFFFAOYSA-N 1 3 310.401 2.177 20 0 DEADHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001482300239 1081563482 /nfs/dbraw/zinc/56/34/82/1081563482.db2.gz RHUIQVRPTZQTOE-XJKSGUPXSA-N 1 3 309.429 2.102 20 0 DEADHO CCC(CC)CN1CC(N(CC)C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000951750244 1081580174 /nfs/dbraw/zinc/58/01/74/1081580174.db2.gz VFTXIWFVOJNJPB-WMLDXEAASA-N 1 3 309.498 2.153 20 0 DEADHO CCC(CC)CN1CC(N(CC)C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000951750244 1081580179 /nfs/dbraw/zinc/58/01/79/1081580179.db2.gz VFTXIWFVOJNJPB-WMLDXEAASA-N 1 3 309.498 2.153 20 0 DEADHO CCC/C=C\CC[N@H+]1C[C@H]2CN(C(=O)CN(C)CCC)C[C@H]2C1 ZINC001672442120 1081599572 /nfs/dbraw/zinc/59/95/72/1081599572.db2.gz AHQNLPKFLVDYOJ-UNWHRZBZSA-N 1 3 321.509 2.465 20 0 DEADHO CCC/C=C\CC[N@@H+]1C[C@H]2CN(C(=O)CN(C)CCC)C[C@H]2C1 ZINC001672442120 1081599576 /nfs/dbraw/zinc/59/95/76/1081599576.db2.gz AHQNLPKFLVDYOJ-UNWHRZBZSA-N 1 3 321.509 2.465 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@@](C)(C[NH2+]CCF)C2)c1 ZINC001270848594 1081743484 /nfs/dbraw/zinc/74/34/84/1081743484.db2.gz USCIOARIROSLTD-SFHVURJKSA-N 1 3 321.440 2.160 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]CC=C(C)C)CCC1 ZINC001673172067 1081743834 /nfs/dbraw/zinc/74/38/34/1081743834.db2.gz IIJOQGRWDMKSMQ-INIZCTEOSA-N 1 3 307.482 2.456 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]CCC2CC2)C1 ZINC001674396325 1081866054 /nfs/dbraw/zinc/86/60/54/1081866054.db2.gz FPJIZYPBTQOGPS-WBVHZDCISA-N 1 3 307.482 2.099 20 0 DEADHO [NH3+][C@@H](C(=O)NC[C@H]1NCCc2ccccc21)C1CCCCCC1 ZINC001648984339 1082396458 /nfs/dbraw/zinc/39/64/58/1082396458.db2.gz BMAKVXMKLMSYGU-QZTJIDSGSA-N 1 3 315.461 2.287 20 0 DEADHO C[C@@H](CC[NH2+]CCCF)NC(=O)C(C)(C)N1CCCCC1 ZINC001482831610 1082523344 /nfs/dbraw/zinc/52/33/44/1082523344.db2.gz AEZGFJYMBAGCGX-AWEZNQCLSA-N 1 3 301.450 2.095 20 0 DEADHO Cc1ccc(C)c(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCCN2C)c1 ZINC001482991340 1082611100 /nfs/dbraw/zinc/61/11/00/1082611100.db2.gz PMSDAPQWZDNWBX-XDXAGZTOSA-N 1 3 315.461 2.160 20 0 DEADHO Cc1ccc(C[NH2+]C/C=C\CNC(=O)CN(C)C(C)C)c(C)c1 ZINC001483098908 1082707701 /nfs/dbraw/zinc/70/77/01/1082707701.db2.gz UNBUTAHNSFEKEC-SREVYHEPSA-N 1 3 317.477 2.406 20 0 DEADHO C[C@H](C[NH2+]C/C=C\c1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001483135763 1082768795 /nfs/dbraw/zinc/76/87/95/1082768795.db2.gz QCTNFFHQWOYDLX-MRDWYFFCSA-N 1 3 315.461 2.278 20 0 DEADHO Cc1cc(C)cc(C[NH2+]C[C@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001483235561 1082939270 /nfs/dbraw/zinc/93/92/70/1082939270.db2.gz VSQRMVBBKOKXHH-INIZCTEOSA-N 1 3 317.477 2.382 20 0 DEADHO C[C@H](F)CC[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001409596927 1082973681 /nfs/dbraw/zinc/97/36/81/1082973681.db2.gz QKTKSJOCEDWABR-KBPBESRZSA-N 1 3 301.450 2.045 20 0 DEADHO C[C@H](F)CC[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001409596927 1082973686 /nfs/dbraw/zinc/97/36/86/1082973686.db2.gz QKTKSJOCEDWABR-KBPBESRZSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)NC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(C)(C)C[NH+](C)C ZINC001276658739 1083537281 /nfs/dbraw/zinc/53/72/81/1083537281.db2.gz VFQXJTNUXAVQKO-MQVJKMGUSA-N 1 3 324.513 2.277 20 0 DEADHO C[NH+](C)CCN1CC[C@]2(C1)CCCN(Cc1cc(F)ccn1)C2 ZINC001276697758 1083555521 /nfs/dbraw/zinc/55/55/21/1083555521.db2.gz FSWBLBRHOIPGQI-SFHVURJKSA-N 1 3 320.456 2.070 20 0 DEADHO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2CCCc1ccccc1F ZINC001276725634 1083571926 /nfs/dbraw/zinc/57/19/26/1083571926.db2.gz DNSBJCCLBTVKAF-HDICACEKSA-N 1 3 319.468 2.469 20 0 DEADHO C[NH+]1CCC(CCN2C[C@@H]3CN(C4CCCC4)C[C@H](C2)O3)CC1 ZINC001276726865 1083572490 /nfs/dbraw/zinc/57/24/90/1083572490.db2.gz MYURVEHOSUQKPT-KDURUIRLSA-N 1 3 321.509 2.046 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H](C)CC[NH+](C)C)C2)cc1 ZINC001413425644 1083577575 /nfs/dbraw/zinc/57/75/75/1083577575.db2.gz CUCZKWHWZOVTCS-WMZOPIPTSA-N 1 3 317.477 2.273 20 0 DEADHO CCOc1ncc(CN2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cc1F ZINC001276783299 1083608198 /nfs/dbraw/zinc/60/81/98/1083608198.db2.gz MQAWUGNJOFLBKK-GASCZTMLSA-N 1 3 307.413 2.393 20 0 DEADHO CCOc1ncc(CN2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)cc1F ZINC001276783299 1083608202 /nfs/dbraw/zinc/60/82/02/1083608202.db2.gz MQAWUGNJOFLBKK-GASCZTMLSA-N 1 3 307.413 2.393 20 0 DEADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCCCN2C)C1 ZINC001413713728 1083894410 /nfs/dbraw/zinc/89/44/10/1083894410.db2.gz IWVIEZRZPUBFIS-JKSUJKDBSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCCCN2C)C1 ZINC001413713728 1083894433 /nfs/dbraw/zinc/89/44/33/1083894433.db2.gz IWVIEZRZPUBFIS-JKSUJKDBSA-N 1 3 324.513 2.280 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCCN(CCC(F)(F)F)C1 ZINC001491126253 1084100649 /nfs/dbraw/zinc/10/06/49/1084100649.db2.gz MMDFITACXQNWAC-CYBMUJFWSA-N 1 3 323.403 2.109 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCCN(CCC(F)(F)F)C1 ZINC001491126253 1084100655 /nfs/dbraw/zinc/10/06/55/1084100655.db2.gz MMDFITACXQNWAC-CYBMUJFWSA-N 1 3 323.403 2.109 20 0 DEADHO CCCN(C)CC(=O)N1CCC([NH2+]CCC2CCCC2)CC1 ZINC001203460252 1084116339 /nfs/dbraw/zinc/11/63/39/1084116339.db2.gz OMNHDGZKKSFAET-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CCCN(C)CC(=O)N1CCC([NH2+]CC=C(Cl)Cl)CC1 ZINC001203460585 1084130921 /nfs/dbraw/zinc/13/09/21/1084130921.db2.gz RWDKOSCKIUIRNS-UHFFFAOYSA-N 1 3 322.280 2.228 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001491186892 1084134188 /nfs/dbraw/zinc/13/41/88/1084134188.db2.gz PCAWZUBHIHQVCT-CYBMUJFWSA-N 1 3 323.403 2.109 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001491294129 1084218633 /nfs/dbraw/zinc/21/86/33/1084218633.db2.gz BHIJOEJBPVYLPA-DOTOQJQBSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001491294129 1084218636 /nfs/dbraw/zinc/21/86/36/1084218636.db2.gz BHIJOEJBPVYLPA-DOTOQJQBSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)(C)OC(=O)NCCCCN1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234990433 1084260789 /nfs/dbraw/zinc/26/07/89/1084260789.db2.gz DIOPLGJCHXPFBC-QGZVFWFLSA-N 1 3 311.470 2.367 20 0 DEADHO CC(C)CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C1CC1)N(C)C ZINC001235356667 1084405646 /nfs/dbraw/zinc/40/56/46/1084405646.db2.gz XHBVGWCOUKBGMX-SJORKVTESA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C1CC1)N(C)C ZINC001235356667 1084405650 /nfs/dbraw/zinc/40/56/50/1084405650.db2.gz XHBVGWCOUKBGMX-SJORKVTESA-N 1 3 309.498 2.296 20 0 DEADHO [NH3+]CCCCN1CCO[C@@]2(CCCN(c3ccccc3)C2)C1 ZINC001235532970 1084456049 /nfs/dbraw/zinc/45/60/49/1084456049.db2.gz QVKONQLVBNWGNA-SFHVURJKSA-N 1 3 303.450 2.097 20 0 DEADHO C[C@H](O)CN1CCC[C@@]2(CC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001277957788 1084481456 /nfs/dbraw/zinc/48/14/56/1084481456.db2.gz DIHWSSXUYQGLFR-KBPBESRZSA-N 1 3 308.388 2.498 20 0 DEADHO C[C@H](O)CN1CCC[C@@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001277957788 1084481459 /nfs/dbraw/zinc/48/14/59/1084481459.db2.gz DIHWSSXUYQGLFR-KBPBESRZSA-N 1 3 308.388 2.498 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CCN1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001235714905 1084510176 /nfs/dbraw/zinc/51/01/76/1084510176.db2.gz MMAPNRTWKVNUTL-AEFFLSMTSA-N 1 3 317.477 2.307 20 0 DEADHO CC[C@H]([NH3+])CN1CCN[C@H](c2cccc(Br)c2)C1 ZINC001235794034 1084531850 /nfs/dbraw/zinc/53/18/50/1084531850.db2.gz IZVORIBWCIOEQR-KBPBESRZSA-N 1 3 312.255 2.133 20 0 DEADHO CN(CCN1CC[NH2+]CC1)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC001236083509 1084609860 /nfs/dbraw/zinc/60/98/60/1084609860.db2.gz SKXBXNBJBCNEQX-UHFFFAOYSA-N 1 3 317.477 2.127 20 0 DEADHO CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C12CCC2 ZINC001078626668 1084771599 /nfs/dbraw/zinc/77/15/99/1084771599.db2.gz SXEXHELJJZYHAI-GJZGRUSLSA-N 1 3 307.482 2.288 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CC2)C12CCC2 ZINC001078794509 1084898210 /nfs/dbraw/zinc/89/82/10/1084898210.db2.gz IINQLGGYVFVMMH-HOTGVXAUSA-N 1 3 316.449 2.078 20 0 DEADHO CC(C)=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001486203267 1085130397 /nfs/dbraw/zinc/13/03/97/1085130397.db2.gz WERCMBMDPGSZMA-JKSUJKDBSA-N 1 3 307.482 2.311 20 0 DEADHO CC(C)[NH2+]C1CCC(N(C)C(=O)CN2CCC(C)CC2)CC1 ZINC000964035302 1085155460 /nfs/dbraw/zinc/15/54/60/1085155460.db2.gz YVWSUKPGFWCAIV-UHFFFAOYSA-N 1 3 309.498 2.486 20 0 DEADHO CCCCC[N@H+]1CC=C(CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001486519875 1085402634 /nfs/dbraw/zinc/40/26/34/1085402634.db2.gz XFPSXDSSOMHWAG-UHFFFAOYSA-N 1 3 304.438 2.199 20 0 DEADHO CCCCC[N@@H+]1CC=C(CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001486519875 1085402639 /nfs/dbraw/zinc/40/26/39/1085402639.db2.gz XFPSXDSSOMHWAG-UHFFFAOYSA-N 1 3 304.438 2.199 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[N@H+](C)CC2CCCC2)C1 ZINC000960864578 1085487905 /nfs/dbraw/zinc/48/79/05/1085487905.db2.gz OLCFVRLVTHEKEL-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CCCC2)C1 ZINC000960864578 1085487908 /nfs/dbraw/zinc/48/79/08/1085487908.db2.gz OLCFVRLVTHEKEL-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CC1 ZINC000961031750 1085545375 /nfs/dbraw/zinc/54/53/75/1085545375.db2.gz ONZGJXJZHIAIPM-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC1 ZINC000961031750 1085545378 /nfs/dbraw/zinc/54/53/78/1085545378.db2.gz ONZGJXJZHIAIPM-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961189196 1085629925 /nfs/dbraw/zinc/62/99/25/1085629925.db2.gz YJKGOFLJIFMTPS-JKSUJKDBSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961189196 1085629931 /nfs/dbraw/zinc/62/99/31/1085629931.db2.gz YJKGOFLJIFMTPS-JKSUJKDBSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961235928 1085648709 /nfs/dbraw/zinc/64/87/09/1085648709.db2.gz XIYSBHCFVHHVOI-HOTGVXAUSA-N 1 3 318.465 2.169 20 0 DEADHO CC(C)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961235928 1085648711 /nfs/dbraw/zinc/64/87/11/1085648711.db2.gz XIYSBHCFVHHVOI-HOTGVXAUSA-N 1 3 318.465 2.169 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000961414461 1085725225 /nfs/dbraw/zinc/72/52/25/1085725225.db2.gz JWAHDIXZJVDFMF-MRXNPFEDSA-N 1 3 318.465 2.311 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000961414461 1085725235 /nfs/dbraw/zinc/72/52/35/1085725235.db2.gz JWAHDIXZJVDFMF-MRXNPFEDSA-N 1 3 318.465 2.311 20 0 DEADHO CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCCCCC1 ZINC000961937812 1085915075 /nfs/dbraw/zinc/91/50/75/1085915075.db2.gz ATEBRZMUNIBELH-MWDXBVQZSA-N 1 3 307.482 2.097 20 0 DEADHO CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCCCCC1 ZINC000961937812 1085915082 /nfs/dbraw/zinc/91/50/82/1085915082.db2.gz ATEBRZMUNIBELH-MWDXBVQZSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCCCCC1 ZINC000961953278 1085918332 /nfs/dbraw/zinc/91/83/32/1085918332.db2.gz CFASCRRZMLRPMU-WNRNVDISSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCCCCC1 ZINC000961953278 1085918353 /nfs/dbraw/zinc/91/83/53/1085918353.db2.gz CFASCRRZMLRPMU-WNRNVDISSA-N 1 3 321.509 2.343 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+]Cc1c(C)cccc1C ZINC001128533170 1086188314 /nfs/dbraw/zinc/18/83/14/1086188314.db2.gz IBBWDTAIOLMBSX-QGZVFWFLSA-N 1 3 323.456 2.189 20 0 DEADHO CC(C)[NH2+]CC1CC(NC(=O)c2ccccc2CN(C)C)C1 ZINC000962808752 1086245687 /nfs/dbraw/zinc/24/56/87/1086245687.db2.gz PJXITHAPDDUZTG-UHFFFAOYSA-N 1 3 303.450 2.255 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])CC1)N(C)Cc1ccccc1 ZINC000711019739 1086693426 /nfs/dbraw/zinc/69/34/26/1086693426.db2.gz PGJSPOGGDJQLAK-DJIMGWMZSA-N 1 3 303.450 2.141 20 0 DEADHO C[C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)CN1Cc1ccccc1 ZINC000711109963 1086694491 /nfs/dbraw/zinc/69/44/91/1086694491.db2.gz PNNWLXKYOXANKM-DKIMLUQUSA-N 1 3 315.461 2.283 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001168763933 1087577188 /nfs/dbraw/zinc/57/71/88/1087577188.db2.gz VFPKYJULOCHDIJ-KRWDZBQOSA-N 1 3 321.440 2.251 20 0 DEADHO COCCOCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)ccn1 ZINC001276321688 1088981764 /nfs/dbraw/zinc/98/17/64/1088981764.db2.gz PHSKWZBJNUIWSF-ZNXRZULTSA-N 1 3 319.449 2.096 20 0 DEADHO COCCOCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)ccn1 ZINC001276321688 1088981781 /nfs/dbraw/zinc/98/17/81/1088981781.db2.gz PHSKWZBJNUIWSF-ZNXRZULTSA-N 1 3 319.449 2.096 20 0 DEADHO CC[NH2+]C[C@H]1c2ccccc2CCN1C(=O)[C@H](C1CC1)N(C)C ZINC000958791377 1089184992 /nfs/dbraw/zinc/18/49/92/1089184992.db2.gz QPQHMVDTOMVFJH-ROUUACIJSA-N 1 3 315.461 2.062 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]CC2CCCC2)C1 ZINC000960132722 1089976338 /nfs/dbraw/zinc/97/63/38/1089976338.db2.gz ZHMJXJIVUHBMNX-WMZOPIPTSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001082747220 1090053061 /nfs/dbraw/zinc/05/30/61/1090053061.db2.gz FHVNOWJEAPMFQD-XYPHTWIQSA-N 1 3 321.440 2.102 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001410312817 1090541083 /nfs/dbraw/zinc/54/10/83/1090541083.db2.gz MOOHCURJBQDGHO-CABCVRRESA-N 1 3 313.461 2.045 20 0 DEADHO O=C(CN1CCCC1)NC/C=C/C[NH2+]C/C=C\c1ccccc1 ZINC001274578671 1091307398 /nfs/dbraw/zinc/30/73/98/1091307398.db2.gz LXQHHAIZUONPFG-LSHNQJRFSA-N 1 3 313.445 2.058 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]Cc2cccc(F)c2)C1 ZINC001411252063 1091473677 /nfs/dbraw/zinc/47/36/77/1091473677.db2.gz HBXZQMWBMKXEEV-UHFFFAOYSA-N 1 3 321.440 2.245 20 0 DEADHO CCc1cc(CN2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)on1 ZINC001275228774 1091625086 /nfs/dbraw/zinc/62/50/86/1091625086.db2.gz JUBMLYBZIBUMBI-SFHVURJKSA-N 1 3 320.481 2.087 20 0 DEADHO CN1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC001412675085 1091665206 /nfs/dbraw/zinc/66/52/06/1091665206.db2.gz IMSWTSBSMNGTTA-ZBFHGGJFSA-N 1 3 307.482 2.097 20 0 DEADHO CN1C[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC001412675085 1091665213 /nfs/dbraw/zinc/66/52/13/1091665213.db2.gz IMSWTSBSMNGTTA-ZBFHGGJFSA-N 1 3 307.482 2.097 20 0 DEADHO Cn1cc(C[NH2+][C@@]23CC[C@@](NCc4ccc[nH]4)(C2)CCC3)cn1 ZINC001276222356 1091715588 /nfs/dbraw/zinc/71/55/88/1091715588.db2.gz VCZMVPMAVKJQOE-ZWKOTPCHSA-N 1 3 313.449 2.473 20 0 DEADHO CC(C)[NH2+]CCCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001276226373 1091717812 /nfs/dbraw/zinc/71/78/12/1091717812.db2.gz FCYMAWUNLNXDEB-MRXNPFEDSA-N 1 3 301.450 2.045 20 0 DEADHO CN(C)CCN1CC[C@]2(CC[N@H+](CC3(C)CCCCC3)C2)C1=O ZINC001273450505 1091773659 /nfs/dbraw/zinc/77/36/59/1091773659.db2.gz MYHQQSHEAGYDMI-IBGZPJMESA-N 1 3 321.509 2.443 20 0 DEADHO CN(C)CCN1CC[C@]2(CC[N@@H+](CC3(C)CCCCC3)C2)C1=O ZINC001273450505 1091773667 /nfs/dbraw/zinc/77/36/67/1091773667.db2.gz MYHQQSHEAGYDMI-IBGZPJMESA-N 1 3 321.509 2.443 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)[C@H]2CCC[N@H+](CCCF)CC2)C1 ZINC000948778672 1091930749 /nfs/dbraw/zinc/93/07/49/1091930749.db2.gz AFIGTWDSVMLGCA-HOTGVXAUSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)[C@H]2CCC[N@@H+](CCCF)CC2)C1 ZINC000948778672 1091930753 /nfs/dbraw/zinc/93/07/53/1091930753.db2.gz AFIGTWDSVMLGCA-HOTGVXAUSA-N 1 3 313.461 2.001 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1CCCN1C ZINC001273909525 1092499383 /nfs/dbraw/zinc/49/93/83/1092499383.db2.gz HOKGCQIFGIWZRH-ZZGCUDHESA-N 1 3 315.461 2.412 20 0 DEADHO CN1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cccc(Cl)c1 ZINC001273910544 1092500200 /nfs/dbraw/zinc/50/02/00/1092500200.db2.gz POFVMXVGKWXNOH-YPQKKHBXSA-N 1 3 321.852 2.196 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC001488875946 1092818089 /nfs/dbraw/zinc/81/80/89/1092818089.db2.gz DVKPEQBDUMTDLI-FVQBIDKESA-N 1 3 320.481 2.427 20 0 DEADHO CN(C)C1(C(=O)NC/C=C\C[NH2+]CCC2CCCC2)CCC1 ZINC001274087845 1093794889 /nfs/dbraw/zinc/79/48/89/1093794889.db2.gz DGVLKWILIGGRSI-WAYWQWQTSA-N 1 3 307.482 2.313 20 0 DEADHO C[NH+](C)CC1(C(=O)NC[C@@H]2CCN2CCC2CCCC2)CC1 ZINC001420872368 1171305630 /nfs/dbraw/zinc/30/56/30/1171305630.db2.gz VPVHRARNNIXWFA-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO CC1(C)CN(Cc2cccc(N3CC[NH2+]CC3)c2)CC(C)(C)O1 ZINC001236154241 1138334412 /nfs/dbraw/zinc/33/44/12/1138334412.db2.gz NUHJNJUMSWZSGD-UHFFFAOYSA-N 1 3 317.477 2.486 20 0 DEADHO c1cc2n(c1CN(Cc1ccccc1)C1CC[NH2+]CC1)CCNC2 ZINC001236300143 1138348361 /nfs/dbraw/zinc/34/83/61/1138348361.db2.gz LTCCCCRWWKYWBF-UHFFFAOYSA-N 1 3 324.472 2.346 20 0 DEADHO COCCN(C)Cc1ccnc(-c2cccc3c2CC[NH2+]C3)c1 ZINC001236347390 1138354264 /nfs/dbraw/zinc/35/42/64/1138354264.db2.gz KZFSGLYXHOSMGK-UHFFFAOYSA-N 1 3 311.429 2.473 20 0 DEADHO C[C@H]1CNCC(F)(F)[C@@H]1C[N@H+](C1CCC1)C1CCNCC1 ZINC001236634989 1138388831 /nfs/dbraw/zinc/38/88/31/1138388831.db2.gz ZRYKCCIEJOPAMP-SWLSCSKDSA-N 1 3 301.425 2.084 20 0 DEADHO C[C@H]1CNCC(F)(F)[C@@H]1C[N@@H+](C1CCC1)C1CCNCC1 ZINC001236634989 1138388837 /nfs/dbraw/zinc/38/88/37/1138388837.db2.gz ZRYKCCIEJOPAMP-SWLSCSKDSA-N 1 3 301.425 2.084 20 0 DEADHO C[NH+](C)CCOc1ccc(CN2CCNC3=CCCC[C@H]32)cc1 ZINC001237225478 1138543484 /nfs/dbraw/zinc/54/34/84/1138543484.db2.gz PCVJULIRKCWIDJ-LJQANCHMSA-N 1 3 315.461 2.469 20 0 DEADHO CNC(=O)CC[N@H+](C)Cc1ccc2c(c1)C(C(C)C)=NCC2 ZINC001237880229 1138807771 /nfs/dbraw/zinc/80/77/71/1138807771.db2.gz HAHPMVPQWRVUJQ-UHFFFAOYSA-N 1 3 301.434 2.256 20 0 DEADHO CNC(=O)CC[N@@H+](C)Cc1ccc2c(c1)C(C(C)C)=NCC2 ZINC001237880229 1138807773 /nfs/dbraw/zinc/80/77/73/1138807773.db2.gz HAHPMVPQWRVUJQ-UHFFFAOYSA-N 1 3 301.434 2.256 20 0 DEADHO S=C(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)NC1CCCCCC1 ZINC001239362745 1139029539 /nfs/dbraw/zinc/02/95/39/1139029539.db2.gz JXMXMTYTFXTPMU-HNNXBMFYSA-N 1 3 324.538 2.048 20 0 DEADHO CN(C)Cc1ccc(-c2cccc(CN3CC[NH2+]CC3)c2)nc1 ZINC001240230523 1139303023 /nfs/dbraw/zinc/30/30/23/1139303023.db2.gz CRQPIFPSKPCSHR-UHFFFAOYSA-N 1 3 310.445 2.215 20 0 DEADHO c1ccc(CN2CC=C(c3cc(C4C[NH2+]C4)ncn3)CC2)cc1 ZINC001241503463 1139822182 /nfs/dbraw/zinc/82/21/82/1139822182.db2.gz SRZMMRGJRZVVIP-UHFFFAOYSA-N 1 3 306.413 2.453 20 0 DEADHO NCc1cc(-c2ccc(OCC[NH+]3CCCCC3)cc2)ncn1 ZINC001241757601 1139849272 /nfs/dbraw/zinc/84/92/72/1139849272.db2.gz AIWDGEYLBCXTHG-UHFFFAOYSA-N 1 3 312.417 2.467 20 0 DEADHO CN1CCCC[C@@H](C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC001336015550 1140039670 /nfs/dbraw/zinc/03/96/70/1140039670.db2.gz DJWMZXOZWZJBIN-WDEREUQCSA-N 1 3 318.330 2.257 20 0 DEADHO COCCC[NH+]1CCC(N[C@H]2COc3ccccc3C2)CC1 ZINC000340218233 1140191802 /nfs/dbraw/zinc/19/18/02/1140191802.db2.gz GPINKSKOKTXHKJ-QGZVFWFLSA-N 1 3 304.434 2.081 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)NCc1cc(C)ccc1F ZINC001491631125 1140221068 /nfs/dbraw/zinc/22/10/68/1140221068.db2.gz LTVVXKGQOQBLTL-CQSZACIVSA-N 1 3 309.429 2.070 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)NCc1cc(C)ccc1F ZINC001491631125 1140221079 /nfs/dbraw/zinc/22/10/79/1140221079.db2.gz LTVVXKGQOQBLTL-CQSZACIVSA-N 1 3 309.429 2.070 20 0 DEADHO CNCc1cc(-c2ccc(COC3CC[NH2+]CC3)cc2)ncn1 ZINC001245407014 1140646439 /nfs/dbraw/zinc/64/64/39/1140646439.db2.gz OHQQCLKVRYHLOX-UHFFFAOYSA-N 1 3 312.417 2.132 20 0 DEADHO [NH3+]Cc1cnccc1-c1cccc2cc([C@@H]3CNCCO3)cn21 ZINC001245562871 1140763835 /nfs/dbraw/zinc/76/38/35/1140763835.db2.gz PSULDZCDSLYROZ-SFHVURJKSA-N 1 3 308.385 2.121 20 0 DEADHO CCCC[C@H](CC)COC[C@H](O)CNC[C@H]1C[NH2+]CC[C@H]1C ZINC001245981514 1140841658 /nfs/dbraw/zinc/84/16/58/1140841658.db2.gz HOBXHFUKJYZFEM-XMTFNYHQSA-N 1 3 314.514 2.416 20 0 DEADHO O[C@H](CN[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1)C(F)(F)F ZINC001246004532 1140844865 /nfs/dbraw/zinc/84/48/65/1140844865.db2.gz ZNXXAHAXYGYWLH-ZIAGYGMSSA-N 1 3 320.330 2.379 20 0 DEADHO C[C@@H]1C[C@H](N[C@@H]2CCNC[C@H]2F)CC[N@@H+]1Cc1ccccc1 ZINC001246087867 1140859212 /nfs/dbraw/zinc/85/92/12/1140859212.db2.gz QIUPHQFNXRLAEX-VDHUWJSZSA-N 1 3 305.441 2.329 20 0 DEADHO C[C@@H]1C[C@H](N[C@@H]2CCNC[C@H]2F)CC[N@H+]1Cc1ccccc1 ZINC001246087867 1140859213 /nfs/dbraw/zinc/85/92/13/1140859213.db2.gz QIUPHQFNXRLAEX-VDHUWJSZSA-N 1 3 305.441 2.329 20 0 DEADHO C[C@@H]1C[NH2+]C[C@@H](CN[C@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001246100108 1140860690 /nfs/dbraw/zinc/86/06/90/1140860690.db2.gz NQKBCTJFNUEDRH-BQFCYCMXSA-N 1 3 315.461 2.126 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@@H]1CN[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001246106763 1140861530 /nfs/dbraw/zinc/86/15/30/1140861530.db2.gz FPNWIFVHPBYUBL-CGTJXYLNSA-N 1 3 315.461 2.269 20 0 DEADHO O=C(c1ccccc1)N1CCC[C@H](N[C@H]2CCC[NH2+]C2)CC1 ZINC001246130023 1140864433 /nfs/dbraw/zinc/86/44/33/1140864433.db2.gz RFKQUXYXMTWONB-IRXDYDNUSA-N 1 3 301.434 2.023 20 0 DEADHO Cc1cc(F)ccc1[C@H]1C[C@H](N[C@@H]2CCNC[C@@H]2F)CC[NH2+]1 ZINC001246204867 1140872654 /nfs/dbraw/zinc/87/26/54/1140872654.db2.gz HWHIFQVVOPIENA-XLNGHYISSA-N 1 3 309.404 2.217 20 0 DEADHO C[C@@H]1C[C@H](N[C@@H]2CCCN(C(=O)c3ccccc3)C2)CC[NH2+]1 ZINC001246238970 1140876577 /nfs/dbraw/zinc/87/65/77/1140876577.db2.gz BRMBXXNGOVJNCU-DJIMGWMZSA-N 1 3 301.434 2.021 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001320553557 1140879085 /nfs/dbraw/zinc/87/90/85/1140879085.db2.gz ULMBOZFKBSWVFU-WBVHZDCISA-N 1 3 305.466 2.320 20 0 DEADHO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](NC(=O)C3CCCC3)CC2)CCN1 ZINC001246404537 1140895050 /nfs/dbraw/zinc/89/50/50/1140895050.db2.gz OHNRTEQXQXMPPX-MWQQHZPXSA-N 1 3 307.482 2.334 20 0 DEADHO CO[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246516420 1140933339 /nfs/dbraw/zinc/93/33/39/1140933339.db2.gz SERYZUHGWBRALK-XGXHKWSGSA-N 1 3 317.477 2.006 20 0 DEADHO C[C@H]1C[N@@H+]([C@@H]2CCC(=O)N(Cc3ccccc3)CC2)C[C@H]1CN ZINC001246544201 1140951916 /nfs/dbraw/zinc/95/19/16/1140951916.db2.gz WPCCNMLOSSOPHE-CGTJXYLNSA-N 1 3 315.461 2.094 20 0 DEADHO C[C@H]1C[N@H+]([C@@H]2CCC(=O)N(Cc3ccccc3)CC2)C[C@H]1CN ZINC001246544201 1140951930 /nfs/dbraw/zinc/95/19/30/1140951930.db2.gz WPCCNMLOSSOPHE-CGTJXYLNSA-N 1 3 315.461 2.094 20 0 DEADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCC[C@@H](CN)C1)C2 ZINC001246589267 1140994654 /nfs/dbraw/zinc/99/46/54/1140994654.db2.gz DTPYTJSLEMZGTF-CAOSSQGBSA-N 1 3 309.454 2.199 20 0 DEADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCC[C@@H](CN)C1)C2 ZINC001246589267 1140994668 /nfs/dbraw/zinc/99/46/68/1140994668.db2.gz DTPYTJSLEMZGTF-CAOSSQGBSA-N 1 3 309.454 2.199 20 0 DEADHO Cc1cccc(C)c1C[NH2+]C/C=C\CNC(=O)[C@H]1CCCN1C ZINC001320996512 1141022706 /nfs/dbraw/zinc/02/27/06/1141022706.db2.gz FKUYFCRJTXCFLX-PYTPGESOSA-N 1 3 315.461 2.160 20 0 DEADHO O=C1C[C@]2(CCN(C3CC[NH2+]CC3)C2)CN1c1ccc(F)cc1 ZINC001246718151 1141044418 /nfs/dbraw/zinc/04/44/18/1141044418.db2.gz WMKVGTOZITYNIC-SFHVURJKSA-N 1 3 317.408 2.007 20 0 DEADHO O=C1C[C@]2(CC[N@@H+](C3CCNCC3)C2)CN1c1ccc(F)cc1 ZINC001246718151 1141044427 /nfs/dbraw/zinc/04/44/27/1141044427.db2.gz WMKVGTOZITYNIC-SFHVURJKSA-N 1 3 317.408 2.007 20 0 DEADHO O=C1C[C@]2(CC[N@H+](C3CCNCC3)C2)CN1c1ccc(F)cc1 ZINC001246718151 1141044438 /nfs/dbraw/zinc/04/44/38/1141044438.db2.gz WMKVGTOZITYNIC-SFHVURJKSA-N 1 3 317.408 2.007 20 0 DEADHO C[C@@H]1C[C@H]([N@@H+]2CCCC[C@@H]2[C@H](C(N)=O)c2ccccc2)CCN1 ZINC001246848321 1141086003 /nfs/dbraw/zinc/08/60/03/1141086003.db2.gz OCRUFLRCEBLQRW-VDHUWJSZSA-N 1 3 315.461 2.251 20 0 DEADHO C[C@@H]1C[C@H]([N@H+]2CCCC[C@@H]2[C@H](C(N)=O)c2ccccc2)CCN1 ZINC001246848321 1141086017 /nfs/dbraw/zinc/08/60/17/1141086017.db2.gz OCRUFLRCEBLQRW-VDHUWJSZSA-N 1 3 315.461 2.251 20 0 DEADHO CCOC(=O)c1ccc(C[C@@H](C)N2CC[C@H](C[NH2+]C)C2)cc1 ZINC001246861865 1141090932 /nfs/dbraw/zinc/09/09/32/1141090932.db2.gz FNOLYGQLYOPJIB-GDBMZVCRSA-N 1 3 304.434 2.336 20 0 DEADHO FC(F)(F)c1nn(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2c1CCNC2 ZINC001246896015 1141108373 /nfs/dbraw/zinc/10/83/73/1141108373.db2.gz WTAMCXKLEVVBTL-ULKQDVFKSA-N 1 3 300.328 2.003 20 0 DEADHO FC(F)(F)[C@@H]1CNCCN1[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246985769 1141217299 /nfs/dbraw/zinc/21/72/99/1141217299.db2.gz CAEMDWMGCKQMTB-OLZOCXBDSA-N 1 3 305.388 2.277 20 0 DEADHO CN(C)Cc1ccc(-c2noc(CS[C@H]3CC[NH2+]C3)n2)cc1 ZINC001249272592 1141867483 /nfs/dbraw/zinc/86/74/83/1141867483.db2.gz AOMTXWNGAXAESH-AWEZNQCLSA-N 1 3 318.446 2.393 20 0 DEADHO CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001278556582 1142095596 /nfs/dbraw/zinc/09/55/96/1142095596.db2.gz SDJLIBAZLPCXPP-SJLPKXTDSA-N 1 3 309.498 2.488 20 0 DEADHO COc1nc(OC)c(CN2CCC3(C2)CC[NH+](C)CC3)cc1C ZINC001250342530 1142164147 /nfs/dbraw/zinc/16/41/47/1142164147.db2.gz HXOBNWDHJXATIZ-UHFFFAOYSA-N 1 3 319.449 2.325 20 0 DEADHO CC(C)CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001278564793 1142180706 /nfs/dbraw/zinc/18/07/06/1142180706.db2.gz LJLAJOMPLAIAQC-CVEARBPZSA-N 1 3 309.498 2.391 20 0 DEADHO CN1CCN(c2ccc3[nH]c([C@@H]4CCC[N@H+](C)C4)nc3c2)CC1 ZINC001250571446 1142239760 /nfs/dbraw/zinc/23/97/60/1142239760.db2.gz ZHEOYVOVHZKTOD-CQSZACIVSA-N 1 3 313.449 2.124 20 0 DEADHO CN1CCN(c2ccc3[nH]c([C@@H]4CCC[N@@H+](C)C4)nc3c2)CC1 ZINC001250571446 1142239773 /nfs/dbraw/zinc/23/97/73/1142239773.db2.gz ZHEOYVOVHZKTOD-CQSZACIVSA-N 1 3 313.449 2.124 20 0 DEADHO CN1CCC[C@@H]1CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC001250684919 1142267050 /nfs/dbraw/zinc/26/70/50/1142267050.db2.gz AVALTAWPXASKNZ-CABCVRRESA-N 1 3 312.841 2.154 20 0 DEADHO CC1CCN(CCC[NH2+]C[C@H](O)COc2ccccc2)CC1 ZINC001251231564 1142398600 /nfs/dbraw/zinc/39/86/00/1142398600.db2.gz UHOKINGRPGWEDV-KRWDZBQOSA-N 1 3 306.450 2.138 20 0 DEADHO CC[NH+](CC)C[C@H](O)CNC1(Cc2cccc(OC)c2)CCC1 ZINC001253212535 1142854873 /nfs/dbraw/zinc/85/48/73/1142854873.db2.gz HWLOEPAMXIPPHC-QGZVFWFLSA-N 1 3 320.477 2.453 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]C[C@@H](O)Cc2ccccc2)C[C@@H](C)O1 ZINC001338464064 1142857895 /nfs/dbraw/zinc/85/78/95/1142857895.db2.gz YZXCGXUTNFVHBE-LMMKCTJWSA-N 1 3 320.477 2.069 20 0 DEADHO OC1(C[NH+]2CC3(CSC3)C2)CCN(Cc2ccccc2)CC1 ZINC001254041728 1143030426 /nfs/dbraw/zinc/03/04/26/1143030426.db2.gz PCVKTOUPEMOITJ-UHFFFAOYSA-N 1 3 318.486 2.062 20 0 DEADHO OC1(CN2CC3(CSC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001254041728 1143030433 /nfs/dbraw/zinc/03/04/33/1143030433.db2.gz PCVKTOUPEMOITJ-UHFFFAOYSA-N 1 3 318.486 2.062 20 0 DEADHO C[C@@H](CN)C[N@H+](C)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254895768 1143355772 /nfs/dbraw/zinc/35/57/72/1143355772.db2.gz ZUWZLCZHBYIISI-BYNSBNAKSA-N 1 3 311.470 2.159 20 0 DEADHO C[C@@H](CN)C[N@@H+](C)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254895768 1143355782 /nfs/dbraw/zinc/35/57/82/1143355782.db2.gz ZUWZLCZHBYIISI-BYNSBNAKSA-N 1 3 311.470 2.159 20 0 DEADHO O=C1CC[C@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)N1 ZINC001255124754 1143432445 /nfs/dbraw/zinc/43/24/45/1143432445.db2.gz NRPRLYUQHPUKSM-ZJPYXAASSA-N 1 3 313.445 2.050 20 0 DEADHO O=C1CC[C@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)N1 ZINC001255124754 1143432457 /nfs/dbraw/zinc/43/24/57/1143432457.db2.gz NRPRLYUQHPUKSM-ZJPYXAASSA-N 1 3 313.445 2.050 20 0 DEADHO CC/C=C/CCN1CC[C@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001479240625 1143802777 /nfs/dbraw/zinc/80/27/77/1143802777.db2.gz IIVJMFJBJHZHTQ-MOEXGYKKSA-N 1 3 307.482 2.217 20 0 DEADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1CCc2c(ccc(=O)n2CC)C1 ZINC001255943519 1143815947 /nfs/dbraw/zinc/81/59/47/1143815947.db2.gz NTWHGLUEUNNZSR-DOTOQJQBSA-N 1 3 319.493 2.436 20 0 DEADHO CC[NH+](CC)CC[C@H](C)N[C@H]1CCCN(c2cnccn2)C1 ZINC001255951321 1143816145 /nfs/dbraw/zinc/81/61/45/1143816145.db2.gz IFAVPTSOERQGBV-HOTGVXAUSA-N 1 3 305.470 2.155 20 0 DEADHO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)c1ccc(Nc2ccncc2)cc1 ZINC001342627414 1143827325 /nfs/dbraw/zinc/82/73/25/1143827325.db2.gz AVHALFUBNYJGTE-ILXRZTDVSA-N 1 3 324.428 2.458 20 0 DEADHO CC(C)(C)N1CCC([NH2+]CCNC(=O)c2ccccc2)CC1 ZINC001256558560 1143853733 /nfs/dbraw/zinc/85/37/33/1143853733.db2.gz PVEAKTJVFICQJQ-UHFFFAOYSA-N 1 3 303.450 2.269 20 0 DEADHO CC(C)(C)[NH+]1CCC(N2CCC(N3CCOCC3)CC2)CC1 ZINC001256568810 1143854342 /nfs/dbraw/zinc/85/43/42/1143854342.db2.gz GEIFOYAGDHURDU-UHFFFAOYSA-N 1 3 309.498 2.046 20 0 DEADHO CC(C)C[NH+]1CCN(C2CCN(Cc3ccncc3)CC2)CC1 ZINC001256589851 1143856033 /nfs/dbraw/zinc/85/60/33/1143856033.db2.gz MZZQUMZYNZZZLH-UHFFFAOYSA-N 1 3 316.493 2.320 20 0 DEADHO c1nnc(CCNC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC001256602519 1143856951 /nfs/dbraw/zinc/85/69/51/1143856951.db2.gz ZEEUFZXYOQXKRW-UHFFFAOYSA-N 1 3 302.447 2.335 20 0 DEADHO COc1cc(C[NH2+]C2CCC(N3CCOCC3)CC2)ccc1O ZINC001256677264 1143861334 /nfs/dbraw/zinc/86/13/34/1143861334.db2.gz AKGQAQVTJOIUND-UHFFFAOYSA-N 1 3 320.433 2.134 20 0 DEADHO c1ccc(CCC[NH2+]C2CCC(N3CCOCC3)CC2)nc1 ZINC001256683122 1143862056 /nfs/dbraw/zinc/86/20/56/1143862056.db2.gz SMFHQICFSQZBHK-UHFFFAOYSA-N 1 3 303.450 2.247 20 0 DEADHO CC(C)[NH+]1CCC(N[C@H]2CCN(Cc3ccncc3)C2)CC1 ZINC001257211328 1143893222 /nfs/dbraw/zinc/89/32/22/1143893222.db2.gz HGQXHNZBWGSTIK-SFHVURJKSA-N 1 3 302.466 2.118 20 0 DEADHO CC[C@@H](Cc1ccccc1)[N@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001258850694 1144046788 /nfs/dbraw/zinc/04/67/88/1144046788.db2.gz LWVJCVRAAXOBOX-SFHVURJKSA-N 1 3 317.477 2.104 20 0 DEADHO CC[C@@H](Cc1ccccc1)[N@@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001258850694 1144046791 /nfs/dbraw/zinc/04/67/91/1144046791.db2.gz LWVJCVRAAXOBOX-SFHVURJKSA-N 1 3 317.477 2.104 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC001480460838 1151821528 /nfs/dbraw/zinc/82/15/28/1151821528.db2.gz XSPSZZLULNDASE-YOEHRIQHSA-N 1 3 321.440 2.293 20 0 DEADHO C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001263998018 1144439913 /nfs/dbraw/zinc/43/99/13/1144439913.db2.gz NBYBVPGUOVEDKE-OLCROJSASA-N 1 3 313.873 2.050 20 0 DEADHO CC(C)[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CCCF)C1)N(C)C ZINC001264125033 1144475611 /nfs/dbraw/zinc/47/56/11/1144475611.db2.gz AJPFNDKIIXULTH-HZPDHXFCSA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@H](F)CN(C)CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001265054986 1144633560 /nfs/dbraw/zinc/63/35/60/1144633560.db2.gz WBUOHTBEZUJQPS-INIZCTEOSA-N 1 3 315.477 2.293 20 0 DEADHO CC/C=C/CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)CC ZINC001265415157 1144703078 /nfs/dbraw/zinc/70/30/78/1144703078.db2.gz WNLKEJMKTNWEMR-BORUEMGLSA-N 1 3 307.482 2.360 20 0 DEADHO CC/C=C/CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CC ZINC001265415157 1144703080 /nfs/dbraw/zinc/70/30/80/1144703080.db2.gz WNLKEJMKTNWEMR-BORUEMGLSA-N 1 3 307.482 2.360 20 0 DEADHO CC(C)[C@H](C(=O)N1CCCC[C@H]1C[NH2+]C/C=C\Cl)N(C)C ZINC001265682323 1144727208 /nfs/dbraw/zinc/72/72/08/1144727208.db2.gz PRGWSIJUTOCFRX-RJXMKIDGSA-N 1 3 315.889 2.296 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H](CC[NH2+]CCC(F)(F)F)C1)N(C)C ZINC001280094178 1144832024 /nfs/dbraw/zinc/83/20/24/1144832024.db2.gz IYCIDFZXGSWLAT-QWHCGFSZSA-N 1 3 323.403 2.107 20 0 DEADHO O=C(CCC[NH+]1CCCCC1)N1CCCC[C@@H]1CNCCF ZINC001280462337 1144841027 /nfs/dbraw/zinc/84/10/27/1144841027.db2.gz OPNNUOVMOWBQRE-MRXNPFEDSA-N 1 3 313.461 2.193 20 0 DEADHO CC[N@@H+]1CCN(C(=O)NC[C@H](c2ccsc2)N(C)C)[C@@H](C)C1 ZINC001364199860 1145074436 /nfs/dbraw/zinc/07/44/36/1145074436.db2.gz HUIOBLDNUPTDHT-DZGCQCFKSA-N 1 3 324.494 2.086 20 0 DEADHO CC[N@H+]1CCN(C(=O)NC[C@H](c2ccsc2)N(C)C)[C@@H](C)C1 ZINC001364199860 1145074442 /nfs/dbraw/zinc/07/44/42/1145074442.db2.gz HUIOBLDNUPTDHT-DZGCQCFKSA-N 1 3 324.494 2.086 20 0 DEADHO CC[NH+]1CCC(CN2CCC[C@H]2C(=O)NCc2ccco2)CC1 ZINC001364669531 1145441351 /nfs/dbraw/zinc/44/13/51/1145441351.db2.gz AJLYWYXRPZWESX-KRWDZBQOSA-N 1 3 319.449 2.092 20 0 DEADHO CC[NH+]1CCC(CNCc2cnc(Br)cn2)CC1 ZINC001364705476 1145489466 /nfs/dbraw/zinc/48/94/66/1145489466.db2.gz OOXKKFRFGJNCED-UHFFFAOYSA-N 1 3 313.243 2.061 20 0 DEADHO Fc1cc(F)c2c(c1)C[C@@H](NC1CC[NH+](C3CC3)CC1)CO2 ZINC001364721139 1145504866 /nfs/dbraw/zinc/50/48/66/1145504866.db2.gz DXYFLIOPPPWYFD-CQSZACIVSA-N 1 3 308.372 2.485 20 0 DEADHO Cc1cc(CNC2CC[NH+](C3CC3)CC2)ccc1-n1cncn1 ZINC001365352573 1145855827 /nfs/dbraw/zinc/85/58/27/1145855827.db2.gz GLQZLHNFPJDNKN-UHFFFAOYSA-N 1 3 311.433 2.292 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC=C(Cl)Cl)C1 ZINC001365840552 1146025095 /nfs/dbraw/zinc/02/50/95/1146025095.db2.gz DRDPHCGQSYQRFH-HAQNSBGRSA-N 1 3 322.280 2.132 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001365844291 1146026289 /nfs/dbraw/zinc/02/62/89/1146026289.db2.gz JHQXHQSRGBFXJX-DJIMGWMZSA-N 1 3 321.509 2.391 20 0 DEADHO CC[C@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCCN2CC)C1 ZINC001365846657 1146026480 /nfs/dbraw/zinc/02/64/80/1146026480.db2.gz FBJIIBHHXCJATC-YHUYYLMFSA-N 1 3 313.461 2.093 20 0 DEADHO CC[C@H](C(=O)N1CCCCC[C@H]([NH2+]C/C=C\Cl)C1)N(C)C ZINC001365883056 1146038858 /nfs/dbraw/zinc/03/88/58/1146038858.db2.gz HKEMCGAYYKLMOP-RLKNZVFVSA-N 1 3 315.889 2.440 20 0 DEADHO CC(C)C[C@H](C)C[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001366095785 1147052199 /nfs/dbraw/zinc/05/21/99/1147052199.db2.gz XNSLVARWVCKNMZ-ULQDDVLXSA-N 1 3 311.514 2.445 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001366133827 1147071782 /nfs/dbraw/zinc/07/17/82/1147071782.db2.gz ZQNZIKXLAMVHMD-FRYAIAEPSA-N 1 3 315.461 2.278 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C)c(F)c2)C1)N(C)C ZINC001366174405 1147092201 /nfs/dbraw/zinc/09/22/01/1147092201.db2.gz XTAYZZYGHDKDHU-UXLLHSPISA-N 1 3 321.440 2.211 20 0 DEADHO Cc1cc(CN(C)[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)cs1 ZINC001480734204 1147251919 /nfs/dbraw/zinc/25/19/19/1147251919.db2.gz APYSRKDOFWWWEC-INIZCTEOSA-N 1 3 323.506 2.431 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](CC)CC1CCCC1 ZINC001366645185 1147434435 /nfs/dbraw/zinc/43/44/35/1147434435.db2.gz TUVTUYVKEPBKDE-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](CC)CC1CCCC1 ZINC001366645185 1147434438 /nfs/dbraw/zinc/43/44/38/1147434438.db2.gz TUVTUYVKEPBKDE-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)C[NH2+][C@@H](C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001366779393 1147555703 /nfs/dbraw/zinc/55/57/03/1147555703.db2.gz FVYLAOHMWBJANP-HOTGVXAUSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@H](CN(C)C/C=C\Cl)C1)[NH+](C)C ZINC001366876041 1147603126 /nfs/dbraw/zinc/60/31/26/1147603126.db2.gz GZGKBKBVPQGRPP-MSSSOJMCSA-N 1 3 315.889 2.105 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001366903233 1147613963 /nfs/dbraw/zinc/61/39/63/1147613963.db2.gz YJIKAEJQFXORNM-RDJZCZTQSA-N 1 3 303.450 2.280 20 0 DEADHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCC(F)(F)F ZINC001316893591 1147625355 /nfs/dbraw/zinc/62/53/55/1147625355.db2.gz YMJUUPDGTLDSHR-CHWSQXEVSA-N 1 3 323.403 2.107 20 0 DEADHO CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCC(F)(F)F ZINC001316893591 1147625356 /nfs/dbraw/zinc/62/53/56/1147625356.db2.gz YMJUUPDGTLDSHR-CHWSQXEVSA-N 1 3 323.403 2.107 20 0 DEADHO CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001316977557 1147642110 /nfs/dbraw/zinc/64/21/10/1147642110.db2.gz JHACERKLSXWHHB-LZCSOBMZSA-N 1 3 307.482 2.406 20 0 DEADHO CC/C=C/CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001316977557 1147642111 /nfs/dbraw/zinc/64/21/11/1147642111.db2.gz JHACERKLSXWHHB-LZCSOBMZSA-N 1 3 307.482 2.406 20 0 DEADHO CC[C@@H](CNC(=O)Cc1nc[nH]c1C)[NH2+]CCc1cccs1 ZINC001367132397 1147654254 /nfs/dbraw/zinc/65/42/54/1147654254.db2.gz FYKSAGBNYDGZLO-ZDUSSCGKSA-N 1 3 320.462 2.049 20 0 DEADHO CN(CC(=O)N1CC[C@H]([NH2+]CCCC(C)(C)C)C1)C1CCC1 ZINC001317059468 1147654663 /nfs/dbraw/zinc/65/46/63/1147654663.db2.gz OMNDRXMWKFFXSJ-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCCC(F)(F)F)C1)N(C)C ZINC001317091100 1147658619 /nfs/dbraw/zinc/65/86/19/1147658619.db2.gz KJOGDRSZMSRTNN-AVGNSLFASA-N 1 3 323.403 2.296 20 0 DEADHO CC(C)=CC[N@H+]1CCC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001317132927 1147664244 /nfs/dbraw/zinc/66/42/44/1147664244.db2.gz UXLDVEGGBMSLAO-MRXNPFEDSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)=CC[N@@H+]1CCC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001317132927 1147664246 /nfs/dbraw/zinc/66/42/46/1147664246.db2.gz UXLDVEGGBMSLAO-MRXNPFEDSA-N 1 3 307.482 2.265 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+]CC[C@H](C)F ZINC001317197350 1147674808 /nfs/dbraw/zinc/67/48/08/1147674808.db2.gz SLBMGQAKPURMEX-GJZGRUSLSA-N 1 3 301.450 2.047 20 0 DEADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(C)c1 ZINC001367396795 1147688773 /nfs/dbraw/zinc/68/87/73/1147688773.db2.gz HHOOXXZJNOMWKC-INIZCTEOSA-N 1 3 305.466 2.273 20 0 DEADHO C[C@@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001367526316 1147709182 /nfs/dbraw/zinc/70/91/82/1147709182.db2.gz HYMCSHGSJVCFKD-DOTOQJQBSA-N 1 3 303.450 2.232 20 0 DEADHO C[C@@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001367526316 1147709183 /nfs/dbraw/zinc/70/91/83/1147709183.db2.gz HYMCSHGSJVCFKD-DOTOQJQBSA-N 1 3 303.450 2.232 20 0 DEADHO Cc1ccc(CN(C)CCN(C)C(=O)CC[NH+](C)C)c(C)c1 ZINC001367537695 1147711479 /nfs/dbraw/zinc/71/14/79/1147711479.db2.gz VANAHINROSOZNQ-UHFFFAOYSA-N 1 3 305.466 2.145 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001367561274 1147716420 /nfs/dbraw/zinc/71/64/20/1147716420.db2.gz LAJPNYNATYSSIS-HZPDHXFCSA-N 1 3 323.506 2.463 20 0 DEADHO Cc1ccc(F)c(CNC[C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001367708564 1147730583 /nfs/dbraw/zinc/73/05/83/1147730583.db2.gz XRJVSYZTPUBZGT-HUUCEWRRSA-N 1 3 321.440 2.070 20 0 DEADHO Cc1ccc(F)c(CNC[C@@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001367708564 1147730584 /nfs/dbraw/zinc/73/05/84/1147730584.db2.gz XRJVSYZTPUBZGT-HUUCEWRRSA-N 1 3 321.440 2.070 20 0 DEADHO CN(CC[NH2+]CC/C=C\c1ccccc1)C(=O)CN1CCCC1 ZINC001317661587 1147740277 /nfs/dbraw/zinc/74/02/77/1147740277.db2.gz ORQXDTYDXUEKJA-WZUFQYTHSA-N 1 3 315.461 2.234 20 0 DEADHO CCCC[NH2+][C@@H](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001317686257 1147744056 /nfs/dbraw/zinc/74/40/56/1147744056.db2.gz MPYLXMDRFBMGGA-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](CN(C)Cc1cccc(F)c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001367800813 1147748565 /nfs/dbraw/zinc/74/85/65/1147748565.db2.gz AVVDWHWLBBZOEP-CKEIUWERSA-N 1 3 321.440 2.102 20 0 DEADHO C[C@H](CN(C)Cc1cccc(F)c1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001367800813 1147748567 /nfs/dbraw/zinc/74/85/67/1147748567.db2.gz AVVDWHWLBBZOEP-CKEIUWERSA-N 1 3 321.440 2.102 20 0 DEADHO CC(C)C[NH2+]CC[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001326398344 1148092182 /nfs/dbraw/zinc/09/21/82/1148092182.db2.gz PUQVJZMZNDYIAC-KRWDZBQOSA-N 1 3 309.498 2.203 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCC(F)(F)F)C[C@H]1C ZINC001368105218 1148231481 /nfs/dbraw/zinc/23/14/81/1148231481.db2.gz LNFBCNLNHGODBJ-CHWSQXEVSA-N 1 3 323.403 2.250 20 0 DEADHO CC[C@H](F)CN1CCC[C@@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001327161158 1148339992 /nfs/dbraw/zinc/33/99/92/1148339992.db2.gz BQQPJGXOGULWEK-JKSUJKDBSA-N 1 3 315.477 2.437 20 0 DEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000422849940 230242641 /nfs/dbraw/zinc/24/26/41/230242641.db2.gz VHHMRTDDNSKREN-CVEARBPZSA-N 1 3 311.539 2.455 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000107599651 282146119 /nfs/dbraw/zinc/14/61/19/282146119.db2.gz NATJSJVCXHLHIJ-SFHVURJKSA-N 1 3 315.461 2.449 20 0 DEADHO CN(C)C[C@H](NC(=O)CC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000291658502 404467490 /nfs/dbraw/zinc/46/74/90/404467490.db2.gz CMIXYHPYZFQECA-KRWDZBQOSA-N 1 3 321.440 2.277 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000417824219 529610812 /nfs/dbraw/zinc/61/08/12/529610812.db2.gz AXZUNYHFVVERRR-HOTGVXAUSA-N 1 3 303.450 2.143 20 0 DEADHO CC[C@H](N[C@H](C)C[C@H](C)[NH3+])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000422882438 529665455 /nfs/dbraw/zinc/66/54/55/529665455.db2.gz AUBWWUMTZBRZCB-OGWHTMIXSA-N 1 3 319.493 2.381 20 0 DEADHO CN(C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000360025896 282254782 /nfs/dbraw/zinc/25/47/82/282254782.db2.gz VJSMOMXHTYLKPN-RDJZCZTQSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000360025896 282254786 /nfs/dbraw/zinc/25/47/86/282254786.db2.gz VJSMOMXHTYLKPN-RDJZCZTQSA-N 1 3 307.482 2.194 20 0 DEADHO CCc1ccc([C@H](CNC(=O)NCC2([NH3+])CCC2)N(C)C)cc1 ZINC000416845118 529723300 /nfs/dbraw/zinc/72/33/00/529723300.db2.gz RAGRORFKCWATBR-INIZCTEOSA-N 1 3 318.465 2.032 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@H](C)[NH2+]C2CC2)N(C)C)cc1 ZINC000294738679 529723363 /nfs/dbraw/zinc/72/33/63/529723363.db2.gz JONZUBZIMYGXOE-GUYCJALGSA-N 1 3 303.450 2.108 20 0 DEADHO CN(CCCN(C)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)Cc1ccco1 ZINC000418593040 529885609 /nfs/dbraw/zinc/88/56/09/529885609.db2.gz VMGLNWZOVXTPIS-GJZGRUSLSA-N 1 3 322.453 2.013 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCN1CCc2ccccc2C1=O ZINC000191627430 282331244 /nfs/dbraw/zinc/33/12/44/282331244.db2.gz KQDLKYDCRQRWEM-RKVPGOIHSA-N 1 3 315.461 2.003 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCN1CCc2ccccc2C1=O ZINC000191627430 282331248 /nfs/dbraw/zinc/33/12/48/282331248.db2.gz KQDLKYDCRQRWEM-RKVPGOIHSA-N 1 3 315.461 2.003 20 0 DEADHO CN(C)CCOc1ccc(CN2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000092756252 539428042 /nfs/dbraw/zinc/42/80/42/539428042.db2.gz RJQOCZZLTPPBCP-SFHVURJKSA-N 1 3 317.477 2.297 20 0 DEADHO C[C@@H](C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)N1CCCCCC1 ZINC000339469017 295747632 /nfs/dbraw/zinc/74/76/32/295747632.db2.gz NFZVQHWSMCIQIO-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO COCC1CCN([C@@H](C)CC[NH+]2CCC(COC)CC2)CC1 ZINC000153484137 539545158 /nfs/dbraw/zinc/54/51/58/539545158.db2.gz PJLLHRZCZNQENG-INIZCTEOSA-N 1 3 312.498 2.482 20 0 DEADHO CCCN1CCC([NH2+][C@@H](C)C(=O)NCc2ccccc2)CC1 ZINC000153756328 539546361 /nfs/dbraw/zinc/54/63/61/539546361.db2.gz HWODWIITYCXNLG-HNNXBMFYSA-N 1 3 303.450 2.155 20 0 DEADHO CO[C@@H](c1ccccc1)[C@@H](C)NCCC[NH+]1CCC(O)CC1 ZINC000279826013 215180108 /nfs/dbraw/zinc/18/01/08/215180108.db2.gz YNMGPQJOPSGWRS-CRAIPNDOSA-N 1 3 306.450 2.199 20 0 DEADHO CN1CCCN(CCC[NH2+]C/C=C/c2ccc(F)cc2)CC1 ZINC000178745015 539637403 /nfs/dbraw/zinc/63/74/03/539637403.db2.gz DBCAXCPDNWGRDB-GORDUTHDSA-N 1 3 305.441 2.456 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000279921707 215239989 /nfs/dbraw/zinc/23/99/89/215239989.db2.gz NWRISIGWHUDSFR-RYQLBKOJSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)CC2([NH3+])CCC2)CN1Cc1ccccc1 ZINC000237530179 539746588 /nfs/dbraw/zinc/74/65/88/539746588.db2.gz HHCJFMVNOUFOOF-GOEBONIOSA-N 1 3 301.434 2.037 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)CC2([NH3+])CCC2)CN1Cc1ccccc1 ZINC000237587194 539747740 /nfs/dbraw/zinc/74/77/40/539747740.db2.gz HHCJFMVNOUFOOF-ZBFHGGJFSA-N 1 3 301.434 2.037 20 0 DEADHO [NH3+]C1(CC(=O)NC[C@@H](c2cccs2)N2CCCC2)CCC1 ZINC000237998956 539752792 /nfs/dbraw/zinc/75/27/92/539752792.db2.gz WNDHGFFYWZXXGS-ZDUSSCGKSA-N 1 3 307.463 2.273 20 0 DEADHO Cc1nn(C)c2ncc(C[N@H+](C)C[C@H]3CCCN(C)C3)cc12 ZINC000152473029 186077113 /nfs/dbraw/zinc/07/71/13/186077113.db2.gz ZPFBELSNKWTWJC-AWEZNQCLSA-N 1 3 301.438 2.050 20 0 DEADHO Cc1nn(C)c2ncc(C[N@@H+](C)C[C@H]3CCCN(C)C3)cc12 ZINC000152473029 186077114 /nfs/dbraw/zinc/07/71/14/186077114.db2.gz ZPFBELSNKWTWJC-AWEZNQCLSA-N 1 3 301.438 2.050 20 0 DEADHO CC[NH+](CC)CCOc1ccc(NC(=O)[C@@]2(F)CCNC2)cc1 ZINC000164307238 186154977 /nfs/dbraw/zinc/15/49/77/186154977.db2.gz PHNJZQKMKBRQTF-QGZVFWFLSA-N 1 3 323.412 2.047 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC1OCCO1 ZINC000189948410 186253121 /nfs/dbraw/zinc/25/31/21/186253121.db2.gz BROPHUGTEXJZDH-GJZGRUSLSA-N 1 3 304.434 2.106 20 0 DEADHO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)N1[C@H](C)CC[C@@H]1C ZINC000616994816 362985753 /nfs/dbraw/zinc/98/57/53/362985753.db2.gz FXWHROKBKBSBJD-FZKCQIBNSA-N 1 3 309.498 2.484 20 0 DEADHO C[C@@H](C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)N1[C@H](C)CC[C@@H]1C ZINC000616994816 362985758 /nfs/dbraw/zinc/98/57/58/362985758.db2.gz FXWHROKBKBSBJD-FZKCQIBNSA-N 1 3 309.498 2.484 20 0 DEADHO CCN(CCN1CCO[C@@H](C)C1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063210 366031795 /nfs/dbraw/zinc/03/17/95/366031795.db2.gz VVGQLQUAIXNVHP-KRWDZBQOSA-N 1 3 319.493 2.291 20 0 DEADHO C[C@H](CC[NH+](C)C)NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000287218815 219387709 /nfs/dbraw/zinc/38/77/09/219387709.db2.gz NANQLSODOQQTBJ-BFYDXBDKSA-N 1 3 320.481 2.317 20 0 DEADHO CC(C)N(C)CCC[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000319098945 539892834 /nfs/dbraw/zinc/89/28/34/539892834.db2.gz KDJPUELWSSVXQO-AWEZNQCLSA-N 1 3 302.426 2.043 20 0 DEADHO CCC[NH+]1CCC(N(C)C(=O)c2cccc3c2CCNC3)CC1 ZINC000322412367 539902849 /nfs/dbraw/zinc/90/28/49/539902849.db2.gz WMECOEWIETUGGC-UHFFFAOYSA-N 1 3 315.461 2.279 20 0 DEADHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000072860027 191243697 /nfs/dbraw/zinc/24/36/97/191243697.db2.gz FPNCQYXFYAMRML-AWEZNQCLSA-N 1 3 307.413 2.428 20 0 DEADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000072860027 191243700 /nfs/dbraw/zinc/24/37/00/191243700.db2.gz FPNCQYXFYAMRML-AWEZNQCLSA-N 1 3 307.413 2.428 20 0 DEADHO CC(C)(CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C1(O)CCCC1 ZINC000333286802 539954725 /nfs/dbraw/zinc/95/47/25/539954725.db2.gz NMNSYKONSLORII-BZUAXINKSA-N 1 3 310.482 2.064 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000174414132 198332153 /nfs/dbraw/zinc/33/21/53/198332153.db2.gz YXQGWVVVOJCISA-INIZCTEOSA-N 1 3 305.466 2.353 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000174414132 198332155 /nfs/dbraw/zinc/33/21/55/198332155.db2.gz YXQGWVVVOJCISA-INIZCTEOSA-N 1 3 305.466 2.353 20 0 DEADHO CC[NH+](CC)C[C@H](C)NC(=O)N(CCN(C)C)C1CCCC1 ZINC000344133883 540010049 /nfs/dbraw/zinc/01/00/49/540010049.db2.gz MFHLPFIIVNCTQX-HNNXBMFYSA-N 1 3 312.502 2.233 20 0 DEADHO CCCN(C)CC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000358553813 535251159 /nfs/dbraw/zinc/25/11/59/535251159.db2.gz HARKPHXLWHOCRO-UHFFFAOYSA-N 1 3 303.450 2.240 20 0 DEADHO CN(C)[C@@H]1CCC[N@H+](CCC(=O)Nc2cc(N)ccc2F)CC1 ZINC000277050557 213264225 /nfs/dbraw/zinc/26/42/25/213264225.db2.gz CJHZGWPGKOLVFA-CQSZACIVSA-N 1 3 322.428 2.153 20 0 DEADHO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc(N)ccc2F)CC1 ZINC000277050557 213264227 /nfs/dbraw/zinc/26/42/27/213264227.db2.gz CJHZGWPGKOLVFA-CQSZACIVSA-N 1 3 322.428 2.153 20 0 DEADHO c1cc(N2CCN(CCC[NH2+][C@H]3CC[C@@H]3C3CC3)CC2)ccn1 ZINC000348070795 540020601 /nfs/dbraw/zinc/02/06/01/540020601.db2.gz WYZKVACAILGKOO-MOPGFXCFSA-N 1 3 314.477 2.372 20 0 DEADHO CCCN(C(=O)N[C@@H](CC(C)C)CN1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000418232385 283007486 /nfs/dbraw/zinc/00/74/86/283007486.db2.gz DLLSZCALCQJUEU-DLBZAZTESA-N 1 3 324.513 2.280 20 0 DEADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@H]2CC[C@@H]2C2CC2)c1 ZINC000348106582 540020610 /nfs/dbraw/zinc/02/06/10/540020610.db2.gz HYDLHQBCDWFLOB-MSOLQXFVSA-N 1 3 315.461 2.256 20 0 DEADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCN(C3CC3)C2)cc1 ZINC000057554099 354574002 /nfs/dbraw/zinc/57/40/02/354574002.db2.gz XUUZOMNHXXFCBH-KRWDZBQOSA-N 1 3 315.461 2.495 20 0 DEADHO NC[C@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1ccccc1F)C2 ZINC000389998423 540132654 /nfs/dbraw/zinc/13/26/54/540132654.db2.gz OYCWSKYQXSFPPZ-GUYCJALGSA-N 1 3 305.397 2.215 20 0 DEADHO NC[C@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1ccccc1F)C2 ZINC000389998423 540132656 /nfs/dbraw/zinc/13/26/56/540132656.db2.gz OYCWSKYQXSFPPZ-GUYCJALGSA-N 1 3 305.397 2.215 20 0 DEADHO [NH3+]C[C@]12CCC[C@H]1CN(CCC(=O)Nc1ccccc1F)C2 ZINC000389998423 540132659 /nfs/dbraw/zinc/13/26/59/540132659.db2.gz OYCWSKYQXSFPPZ-GUYCJALGSA-N 1 3 305.397 2.215 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000081123213 355408590 /nfs/dbraw/zinc/40/85/90/355408590.db2.gz VRGLJUBTKNDRQL-QGZVFWFLSA-N 1 3 303.450 2.060 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000081123213 355408593 /nfs/dbraw/zinc/40/85/93/355408593.db2.gz VRGLJUBTKNDRQL-QGZVFWFLSA-N 1 3 303.450 2.060 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccco1 ZINC000418174409 540170212 /nfs/dbraw/zinc/17/02/12/540170212.db2.gz ZXXSCJUFCMOANS-GBJTYRQASA-N 1 3 322.453 2.278 20 0 DEADHO CC[C@@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000130306910 355840622 /nfs/dbraw/zinc/84/06/22/355840622.db2.gz KJDBZQZGWFCVFH-WMLDXEAASA-N 1 3 303.450 2.415 20 0 DEADHO CC[C@@H](N)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000130306910 355840623 /nfs/dbraw/zinc/84/06/23/355840623.db2.gz KJDBZQZGWFCVFH-WMLDXEAASA-N 1 3 303.450 2.415 20 0 DEADHO CC(C)[NH2+]CCC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000132820351 355852917 /nfs/dbraw/zinc/85/29/17/355852917.db2.gz PEVHDBDPMBMGSA-QGZVFWFLSA-N 1 3 303.450 2.155 20 0 DEADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000370763331 283131342 /nfs/dbraw/zinc/13/13/42/283131342.db2.gz IYAWOQDRPKELGR-SRABZTEZSA-N 1 3 305.466 2.040 20 0 DEADHO C[C@@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)N1 ZINC000168773659 355978075 /nfs/dbraw/zinc/97/80/75/355978075.db2.gz LUFQNFIBQMOZPY-HZPDHXFCSA-N 1 3 315.461 2.107 20 0 DEADHO CCO[C@@H]1C[C@H]([NH2+]CCCCN2CCN(CC)CC2)C1(C)C ZINC000181493266 356083728 /nfs/dbraw/zinc/08/37/28/356083728.db2.gz YRPDTQUSWRIKNE-DLBZAZTESA-N 1 3 311.514 2.197 20 0 DEADHO C[C@H](CNC(=O)NCC[C@H](C)[NH+]1CCCCC1)N(C)C1CC1 ZINC000181711049 356091896 /nfs/dbraw/zinc/09/18/96/356091896.db2.gz XNHMJLWUQVTATA-LSDHHAIUSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H](CCNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)[NH+]1CCCCC1 ZINC000181941924 356101169 /nfs/dbraw/zinc/10/11/69/356101169.db2.gz QIESSLLKBSOZQE-OWCLPIDISA-N 1 3 322.497 2.175 20 0 DEADHO CCN1CCC(CC[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC000183031719 356157073 /nfs/dbraw/zinc/15/70/73/356157073.db2.gz PHZBZMTZJIHMAS-CVEARBPZSA-N 1 3 316.511 2.054 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2ccnn2C)[C@@H](C)C1 ZINC000248744343 356324494 /nfs/dbraw/zinc/32/44/94/356324494.db2.gz ARXKTTNJPRMFDG-XHSDSOJGSA-N 1 3 308.470 2.208 20 0 DEADHO CCN1CCC(N(C)C(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000236854546 356292180 /nfs/dbraw/zinc/29/21/80/356292180.db2.gz IIFBELAJPUYHGL-QGZVFWFLSA-N 1 3 303.450 2.409 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCCC12CCN(C)CC2 ZINC000360893052 283181416 /nfs/dbraw/zinc/18/14/16/283181416.db2.gz FVZGAFCWVZMOPA-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCCC12CCN(C)CC2 ZINC000360893052 283181419 /nfs/dbraw/zinc/18/14/19/283181419.db2.gz FVZGAFCWVZMOPA-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H](CN)c1ccccc1 ZINC000236858588 202040043 /nfs/dbraw/zinc/04/00/43/202040043.db2.gz HDBCPAWKMFTMFJ-DOTOQJQBSA-N 1 3 305.466 2.356 20 0 DEADHO CCN1CCN(c2ccc(NC(=O)CCC[NH2+]C)c(C)c2)CC1 ZINC000236896845 202058179 /nfs/dbraw/zinc/05/81/79/202058179.db2.gz ZHKCPCSZJBOBBQ-UHFFFAOYSA-N 1 3 318.465 2.075 20 0 DEADHO CCC[C@@H](N)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000236941251 202082968 /nfs/dbraw/zinc/08/29/68/202082968.db2.gz DUYPSVLXKUUDAM-OAHLLOKOSA-N 1 3 309.479 2.204 20 0 DEADHO CC[NH2+]CCNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000236925957 202074907 /nfs/dbraw/zinc/07/49/07/202074907.db2.gz SXGYKDSIKMPARG-MRXNPFEDSA-N 1 3 317.477 2.055 20 0 DEADHO C[C@H]([NH2+]C1CC1)C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000423770735 283200054 /nfs/dbraw/zinc/20/00/54/283200054.db2.gz IEUSSPUFCSEYOV-XHDPSFHLSA-N 1 3 309.841 2.199 20 0 DEADHO CN(C)C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423771361 283200608 /nfs/dbraw/zinc/20/06/08/283200608.db2.gz JDZCMBOYXQEXSU-LSDHHAIUSA-N 1 3 309.841 2.201 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NC[C@H]1CC[N@H+](CCC)C1 ZINC000349178397 535331123 /nfs/dbraw/zinc/33/11/23/535331123.db2.gz RQNXEXNOUHCGMD-QGZVFWFLSA-N 1 3 324.513 2.236 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NC[C@H]1CC[N@@H+](CCC)C1 ZINC000349178397 535331130 /nfs/dbraw/zinc/33/11/30/535331130.db2.gz RQNXEXNOUHCGMD-QGZVFWFLSA-N 1 3 324.513 2.236 20 0 DEADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)CC1(C[NH3+])CCCCC1 ZINC000423769034 283198552 /nfs/dbraw/zinc/19/85/52/283198552.db2.gz YAEZQZWTZCVHAC-HNNXBMFYSA-N 1 3 309.498 2.474 20 0 DEADHO CCOC[C@H](O)C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000381981930 356673924 /nfs/dbraw/zinc/67/39/24/356673924.db2.gz MZURMVBQIPWZCS-RTBURBONSA-N 1 3 320.477 2.276 20 0 DEADHO CCOC[C@H](O)CNC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000381981930 356673927 /nfs/dbraw/zinc/67/39/27/356673927.db2.gz MZURMVBQIPWZCS-RTBURBONSA-N 1 3 320.477 2.276 20 0 DEADHO CCOC[C@H](O)CNC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000381981930 356673929 /nfs/dbraw/zinc/67/39/29/356673929.db2.gz MZURMVBQIPWZCS-RTBURBONSA-N 1 3 320.477 2.276 20 0 DEADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000382765027 356678090 /nfs/dbraw/zinc/67/80/90/356678090.db2.gz ROLUJGUOGWDECV-SOLBZPMBSA-N 1 3 315.461 2.107 20 0 DEADHO NCc1cn([C@@H]2CCC[N@H+](Cc3ccc(C4CC4)cc3)C2)nn1 ZINC000578738897 356864500 /nfs/dbraw/zinc/86/45/00/356864500.db2.gz LVYDCKIGLJMAQC-GOSISDBHSA-N 1 3 311.433 2.451 20 0 DEADHO NCc1cn([C@@H]2CCC[N@@H+](Cc3ccc(C4CC4)cc3)C2)nn1 ZINC000578738897 356864502 /nfs/dbraw/zinc/86/45/02/356864502.db2.gz LVYDCKIGLJMAQC-GOSISDBHSA-N 1 3 311.433 2.451 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418403609 283238530 /nfs/dbraw/zinc/23/85/30/283238530.db2.gz BUZQYLKMZILSRP-HOTGVXAUSA-N 1 3 310.486 2.021 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)CC[NH2+]C2CC2)N(C)C)cc1 ZINC000584731380 357300022 /nfs/dbraw/zinc/30/00/22/357300022.db2.gz YCHKLEJBPFGIKK-QGZVFWFLSA-N 1 3 303.450 2.110 20 0 DEADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CCN(C2CCC2)C1 ZINC000581993152 357280771 /nfs/dbraw/zinc/28/07/71/357280771.db2.gz RKNOXCXWVJVOKY-XHSDSOJGSA-N 1 3 322.497 2.020 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)NCCC[NH2+]C1CC1 ZINC000418286944 283253710 /nfs/dbraw/zinc/25/37/10/283253710.db2.gz IWAYIMHFGUFSEJ-UHFFFAOYSA-N 1 3 324.513 2.426 20 0 DEADHO C[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1)N1CCCC[C@H]1C ZINC000589209363 357455756 /nfs/dbraw/zinc/45/57/56/357455756.db2.gz HSPXRWOGZDHLTL-ZACQAIPSSA-N 1 3 322.497 2.129 20 0 DEADHO CCOC(=O)C1([C@H](C)N[C@@H](C)c2c(C)noc2C)CC[NH2+]CC1 ZINC000591566835 357736340 /nfs/dbraw/zinc/73/63/40/357736340.db2.gz XTHVEFUWNRFVOW-FZMZJTMJSA-N 1 3 323.437 2.263 20 0 DEADHO CCCN(C(=O)C[C@@H]1NCc2ccccc21)C1CC[NH2+]CC1 ZINC000662548638 540331021 /nfs/dbraw/zinc/33/10/21/540331021.db2.gz RRWXEHDMTZQKFJ-KRWDZBQOSA-N 1 3 301.434 2.212 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2[NH2+]CCC2(C)C)N(C)C)cc1 ZINC000662689066 540333466 /nfs/dbraw/zinc/33/34/66/540333466.db2.gz DKSXYLLZBJVULC-CVEARBPZSA-N 1 3 303.450 2.102 20 0 DEADHO C[C@H]1C[C@H](N(C)C(=O)C2(N)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000296086581 291124447 /nfs/dbraw/zinc/12/44/47/291124447.db2.gz QYTNVYUPFHSXSR-DOTOQJQBSA-N 1 3 315.461 2.379 20 0 DEADHO C[C@H]1C[C@H](N(C)C(=O)C2(N)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000296086581 291124450 /nfs/dbraw/zinc/12/44/50/291124450.db2.gz QYTNVYUPFHSXSR-DOTOQJQBSA-N 1 3 315.461 2.379 20 0 DEADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCc1cn(C)c2ccccc12 ZINC000665265284 540348602 /nfs/dbraw/zinc/34/86/02/540348602.db2.gz UKEUZZREHGHWNB-IAOVAPTHSA-N 1 3 301.434 2.063 20 0 DEADHO Clc1cc(CN[C@@H]2CC23CC[NH2+]CC3)cc2c1OCCO2 ZINC000666950901 540368865 /nfs/dbraw/zinc/36/88/65/540368865.db2.gz PSEBFKOALRAAJO-CQSZACIVSA-N 1 3 308.809 2.343 20 0 DEADHO Cc1nn2c(CN[C@@H]3CC34CC[NH2+]CC4)c(C(C)C)nc2s1 ZINC000666952062 540368868 /nfs/dbraw/zinc/36/88/68/540368868.db2.gz DWMNSFOOUSJFHK-CYBMUJFWSA-N 1 3 319.478 2.454 20 0 DEADHO COc1ccccc1-n1nccc1CN[C@H]1CC12CC[NH2+]CC2 ZINC000666955533 540370016 /nfs/dbraw/zinc/37/00/16/540370016.db2.gz XBCZHAKUUUBSDP-KRWDZBQOSA-N 1 3 312.417 2.113 20 0 DEADHO Cc1nn2c(CN[C@H]3CC34CC[NH2+]CC4)c(C(C)C)nc2s1 ZINC000666952063 540368710 /nfs/dbraw/zinc/36/87/10/540368710.db2.gz DWMNSFOOUSJFHK-ZDUSSCGKSA-N 1 3 319.478 2.454 20 0 DEADHO CCOc1c(OC)cc(CN[C@@H]2CC23CC[NH2+]CC3)cc1OC ZINC000666952243 540368721 /nfs/dbraw/zinc/36/87/21/540368721.db2.gz MHNQBNJECQZXAL-MRXNPFEDSA-N 1 3 320.433 2.334 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCCCC1 ZINC000594695188 358320619 /nfs/dbraw/zinc/32/06/19/358320619.db2.gz MUFLTYZODCVOTO-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCCCC1 ZINC000594695188 358320623 /nfs/dbraw/zinc/32/06/23/358320623.db2.gz MUFLTYZODCVOTO-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO COC(=O)c1oc(CNCC2CC[NH+](C3CC3)CC2)cc1C ZINC000597116513 358826791 /nfs/dbraw/zinc/82/67/91/358826791.db2.gz GMDMTHZTNXOILG-UHFFFAOYSA-N 1 3 306.406 2.339 20 0 DEADHO COC(=O)c1cc(C[NH2+]C[C@H]2CCCN(C)C2)n2c1CCCC2 ZINC000598632661 359268565 /nfs/dbraw/zinc/26/85/65/359268565.db2.gz BQADFEQRSILZRN-CQSZACIVSA-N 1 3 319.449 2.042 20 0 DEADHO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1ccc2c(c1)CNC2 ZINC000667854258 540540688 /nfs/dbraw/zinc/54/06/88/540540688.db2.gz CVLHTLOMCPGBNA-OAHLLOKOSA-N 1 3 302.422 2.286 20 0 DEADHO C[NH+](C)CCOc1ccc(CN[C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC000667791089 540527432 /nfs/dbraw/zinc/52/74/32/540527432.db2.gz CRWAAXITKUOPQJ-WMZOPIPTSA-N 1 3 304.434 2.284 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC000667791089 540527436 /nfs/dbraw/zinc/52/74/36/540527436.db2.gz CRWAAXITKUOPQJ-WMZOPIPTSA-N 1 3 304.434 2.284 20 0 DEADHO C[NH+](C)CCOc1ccccc1CN[C@H]1CO[C@H](C2CC2)C1 ZINC000667816992 540533591 /nfs/dbraw/zinc/53/35/91/540533591.db2.gz JADZFHGYHLDHIJ-AEFFLSMTSA-N 1 3 304.434 2.284 20 0 DEADHO CCN1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000187130313 200066451 /nfs/dbraw/zinc/06/64/51/200066451.db2.gz ITNADMHNJNWEGK-HNNXBMFYSA-N 1 3 301.434 2.027 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1ccsc1 ZINC000449320345 240356393 /nfs/dbraw/zinc/35/63/93/240356393.db2.gz NKWZWUFPICJJDP-YUELXQCFSA-N 1 3 309.479 2.103 20 0 DEADHO C[C@]1(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CCC[NH2+]C1 ZINC000237560413 202283321 /nfs/dbraw/zinc/28/33/21/202283321.db2.gz XPPJVAYWWRTXKV-MJGOQNOKSA-N 1 3 315.461 2.329 20 0 DEADHO N[C@H](CC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000237832061 202366576 /nfs/dbraw/zinc/36/65/76/202366576.db2.gz FOSUMCIPEGTTML-IAGOWNOFSA-N 1 3 301.434 2.163 20 0 DEADHO CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H]1CNCc2ccccc21 ZINC000515843015 283498683 /nfs/dbraw/zinc/49/86/83/283498683.db2.gz OJWKQHBGGULWEH-MOPGFXCFSA-N 1 3 323.440 2.252 20 0 DEADHO N[C@@H](CC(=O)N1CCC([NH2+]CC2CC2)CC1)c1ccccc1 ZINC000237872878 202375063 /nfs/dbraw/zinc/37/50/63/202375063.db2.gz KGCGLQJBXIDSQT-KRWDZBQOSA-N 1 3 301.434 2.067 20 0 DEADHO c1cc(CN2CCC(C[NH2+][C@H]3CO[C@H](C4CC4)C3)CC2)ccn1 ZINC000668512060 540676218 /nfs/dbraw/zinc/67/62/18/540676218.db2.gz JFTBWOHGIVYGTO-MOPGFXCFSA-N 1 3 315.461 2.451 20 0 DEADHO COC(=O)c1cc(CNCC2CC[NH+](CCC(C)C)CC2)on1 ZINC000602565047 360436220 /nfs/dbraw/zinc/43/62/20/360436220.db2.gz OPFCFEUTOUMFDE-UHFFFAOYSA-N 1 3 323.437 2.309 20 0 DEADHO O[C@H]1CCN(C2CC[NH+](C[C@H]3CCOc4ccccc43)CC2)C1 ZINC000668740320 540722873 /nfs/dbraw/zinc/72/28/73/540722873.db2.gz TUSPTGJBQCCTBJ-WBVHZDCISA-N 1 3 316.445 2.084 20 0 DEADHO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CCC[C@H](CC[NH3+])C1 ZINC000443057078 238100228 /nfs/dbraw/zinc/10/02/28/238100228.db2.gz FJHITXFJLCJFIW-ARFHVFGLSA-N 1 3 315.461 2.414 20 0 DEADHO C[C@H](C(=O)NCc1ccccc1Cl)N1CCC[C@H](CC[NH3+])C1 ZINC000443064299 238101282 /nfs/dbraw/zinc/10/12/82/238101282.db2.gz XWNYAHUIACRTPM-ZIAGYGMSSA-N 1 3 323.868 2.406 20 0 DEADHO C[C@H](C(=O)N1CCc2sccc2C1)N1CCC[C@H](CC[NH3+])C1 ZINC000443075244 238103164 /nfs/dbraw/zinc/10/31/64/238103164.db2.gz RFURUKCOLTVWTN-ZIAGYGMSSA-N 1 3 321.490 2.082 20 0 DEADHO CC(C)[C@H]1CN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CCN1 ZINC000669514867 540849622 /nfs/dbraw/zinc/84/96/22/540849622.db2.gz NSSCFJIUYWDRGL-HZPDHXFCSA-N 1 3 303.450 2.169 20 0 DEADHO CN1CCC(N2CC[C@@H]([N@H+](C)C[C@]3(C)CCCS3)C2)CC1 ZINC000628278878 366790720 /nfs/dbraw/zinc/79/07/20/366790720.db2.gz LHPRTGPMKDDTFJ-SJORKVTESA-N 1 3 311.539 2.372 20 0 DEADHO CN1CCC(N2CC[C@@H]([N@@H+](C)C[C@]3(C)CCCS3)C2)CC1 ZINC000628278878 366790723 /nfs/dbraw/zinc/79/07/23/366790723.db2.gz LHPRTGPMKDDTFJ-SJORKVTESA-N 1 3 311.539 2.372 20 0 DEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000447965083 239187422 /nfs/dbraw/zinc/18/74/22/239187422.db2.gz OBMLASNVGHFMTQ-ARFHVFGLSA-N 1 3 324.513 2.279 20 0 DEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000448256242 239290903 /nfs/dbraw/zinc/29/09/03/239290903.db2.gz MDIBNEPOEIORCG-MRXNPFEDSA-N 1 3 324.513 2.090 20 0 DEADHO O=C(NCC1CC[NH+](CC2CC2)CC1)[C@@H](C1CC1)N1CCCC1 ZINC000620932994 364206982 /nfs/dbraw/zinc/20/69/82/364206982.db2.gz KLAURKLLHNCMON-GOSISDBHSA-N 1 3 319.493 2.099 20 0 DEADHO Cc1ccc([C@H](CNC(=O)CC[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000621642231 364487151 /nfs/dbraw/zinc/48/71/51/364487151.db2.gz IIIKKPSOVPQEIY-WMZOPIPTSA-N 1 3 317.477 2.494 20 0 DEADHO O=C(CC[C@H]1CCC[NH2+]C1)N1CCN(C2CCCCC2)CC1 ZINC000621656318 364490930 /nfs/dbraw/zinc/49/09/30/364490930.db2.gz MEMHKVDVMXXZSX-MRXNPFEDSA-N 1 3 307.482 2.243 20 0 DEADHO N[C@]12CCC[C@@H]1C[N@H+](CCC(=O)NCc1ccccc1Cl)C2 ZINC000621780333 364543076 /nfs/dbraw/zinc/54/30/76/364543076.db2.gz QTBYRAARXBJQBY-PBHICJAKSA-N 1 3 321.852 2.160 20 0 DEADHO N[C@]12CCC[C@@H]1C[N@@H+](CCC(=O)NCc1ccccc1Cl)C2 ZINC000621780333 364543084 /nfs/dbraw/zinc/54/30/84/364543084.db2.gz QTBYRAARXBJQBY-PBHICJAKSA-N 1 3 321.852 2.160 20 0 DEADHO CC(C)N1CCC([NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000675880913 541390953 /nfs/dbraw/zinc/39/09/53/541390953.db2.gz ITMZTGGKYGGHRS-SFHVURJKSA-N 1 3 309.498 2.092 20 0 DEADHO COc1cccc2c(C[NH2+]CC3(O)CCN(C)CC3)cccc12 ZINC000449161622 240137926 /nfs/dbraw/zinc/13/79/26/240137926.db2.gz GEXHJCKFJDQHCT-UHFFFAOYSA-N 1 3 314.429 2.395 20 0 DEADHO CN1CCC(N2CC[C@H]([NH2+]Cc3ccc4cc[nH]c4c3)C2)CC1 ZINC000623416102 365022585 /nfs/dbraw/zinc/02/25/85/365022585.db2.gz JMMOOMHMHABUFA-KRWDZBQOSA-N 1 3 312.461 2.426 20 0 DEADHO C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000623461723 365037985 /nfs/dbraw/zinc/03/79/85/365037985.db2.gz UEXRKMZSMJZCNS-NVXWUHKLSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000623461723 365037992 /nfs/dbraw/zinc/03/79/92/365037992.db2.gz UEXRKMZSMJZCNS-NVXWUHKLSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1ccc(S(C)(=O)=O)cc1 ZINC000423266241 299369131 /nfs/dbraw/zinc/36/91/31/299369131.db2.gz DHGOMZDWLLQVDO-DUVNUKRYSA-N 1 3 310.463 2.258 20 0 DEADHO c1c(CN[C@H]2CCCCC23CCCC3)nnn1[C@@H]1CC[NH2+]C1 ZINC000629549241 367244801 /nfs/dbraw/zinc/24/48/01/367244801.db2.gz JHMPOVBGJITYSI-CVEARBPZSA-N 1 3 303.454 2.405 20 0 DEADHO c1c(CN[C@@H]2CCCCC23CCCC3)nnn1[C@H]1CC[NH2+]C1 ZINC000629549246 367244960 /nfs/dbraw/zinc/24/49/60/367244960.db2.gz JHMPOVBGJITYSI-JKSUJKDBSA-N 1 3 303.454 2.405 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC[C@H](O)C[NH+]1CCCC1)N(C)C ZINC000629577762 367258258 /nfs/dbraw/zinc/25/82/58/367258258.db2.gz UEWIDCKCCRISNP-AOIWGVFYSA-N 1 3 319.493 2.033 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)C1CCC1 ZINC000677392055 541583880 /nfs/dbraw/zinc/58/38/80/541583880.db2.gz YIPGBPASQXKQKZ-WBVHZDCISA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)C1CCC1 ZINC000677392055 541583884 /nfs/dbraw/zinc/58/38/84/541583884.db2.gz YIPGBPASQXKQKZ-WBVHZDCISA-N 1 3 324.513 2.233 20 0 DEADHO O=C([C@H]1CCCCN1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000237995529 296102779 /nfs/dbraw/zinc/10/27/79/296102779.db2.gz YICSMJJRJJVDIT-DLBZAZTESA-N 1 3 307.482 2.243 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C1CCN(C)CC1 ZINC000631195348 368072493 /nfs/dbraw/zinc/07/24/93/368072493.db2.gz FOUSKMNOZXTIMD-WMZOPIPTSA-N 1 3 301.478 2.438 20 0 DEADHO CN1CCN(CCCC[NH2+][C@@H]2CCCc3ncccc32)CC1 ZINC000631565843 368289247 /nfs/dbraw/zinc/28/92/47/368289247.db2.gz JGPJCWFNOFYIJH-QGZVFWFLSA-N 1 3 302.466 2.076 20 0 DEADHO C[C@H](CC(=O)N(C)C)[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000631665817 368333319 /nfs/dbraw/zinc/33/33/19/368333319.db2.gz BHWFFJBTKUGCLN-JZXOWHBKSA-N 1 3 317.477 2.211 20 0 DEADHO C[C@H](CC(=O)N(C)C)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631665817 368333324 /nfs/dbraw/zinc/33/33/24/368333324.db2.gz BHWFFJBTKUGCLN-JZXOWHBKSA-N 1 3 317.477 2.211 20 0 DEADHO C[C@H](CC(=O)N(C)C)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631665817 368333329 /nfs/dbraw/zinc/33/33/29/368333329.db2.gz BHWFFJBTKUGCLN-JZXOWHBKSA-N 1 3 317.477 2.211 20 0 DEADHO NCc1cn([C@H]2CC[N@H+](Cc3ccc(C(F)F)cc3)C2)nn1 ZINC000631845305 368423015 /nfs/dbraw/zinc/42/30/15/368423015.db2.gz YAZCGGKONOWZSA-AWEZNQCLSA-N 1 3 307.348 2.121 20 0 DEADHO NCc1cn([C@H]2CC[N@@H+](Cc3ccc(C(F)F)cc3)C2)nn1 ZINC000631845305 368423018 /nfs/dbraw/zinc/42/30/18/368423018.db2.gz YAZCGGKONOWZSA-AWEZNQCLSA-N 1 3 307.348 2.121 20 0 DEADHO C[NH+](C)CCOc1ccc(CN2CCC(CCO)CC2)cc1 ZINC000678133774 541683052 /nfs/dbraw/zinc/68/30/52/541683052.db2.gz JTLHTYFRJDRGBC-UHFFFAOYSA-N 1 3 306.450 2.221 20 0 DEADHO CC[N@@H+](Cc1ccc(OCCN(C)C)cc1)C[C@@H]1CCOC1 ZINC000678152284 541685731 /nfs/dbraw/zinc/68/57/31/541685731.db2.gz ZHFFCJBTDSNNIN-KRWDZBQOSA-N 1 3 306.450 2.485 20 0 DEADHO CC[N@H+](Cc1ccc(OCCN(C)C)cc1)C[C@@H]1CCOC1 ZINC000678152284 541685734 /nfs/dbraw/zinc/68/57/34/541685734.db2.gz ZHFFCJBTDSNNIN-KRWDZBQOSA-N 1 3 306.450 2.485 20 0 DEADHO [NH3+][C@@H]1CCCC[C@H]1CC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000261532963 203074823 /nfs/dbraw/zinc/07/48/23/203074823.db2.gz ASIZQAIIMLPWDE-OKZBNKHCSA-N 1 3 315.461 2.285 20 0 DEADHO CC[C@@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H]1O ZINC000678342197 541716186 /nfs/dbraw/zinc/71/61/86/541716186.db2.gz ODJLTXAUDXLJSD-IEBWSBKVSA-N 1 3 318.461 2.364 20 0 DEADHO N[C@H](CC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000261854696 203134374 /nfs/dbraw/zinc/13/43/74/203134374.db2.gz FAPGXTPIDOLQRW-IAGOWNOFSA-N 1 3 301.434 2.163 20 0 DEADHO N[C@@H](CC(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1ccccc1 ZINC000261874778 203141369 /nfs/dbraw/zinc/14/13/69/203141369.db2.gz XWNJPJNCTCXODX-QYZOEREBSA-N 1 3 323.440 2.277 20 0 DEADHO CCC[C@@](C)(N)C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000262677055 203378692 /nfs/dbraw/zinc/37/86/92/203378692.db2.gz SYVOCHQHVKGXAX-QGZVFWFLSA-N 1 3 307.438 2.473 20 0 DEADHO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000262681531 203381111 /nfs/dbraw/zinc/38/11/11/203381111.db2.gz XPJGDDVICYOHOC-BPQIPLTHSA-N 1 3 315.461 2.107 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccccc2N(C)C)CC1 ZINC000093942394 193330965 /nfs/dbraw/zinc/33/09/65/193330965.db2.gz BXRROUUIMSWBKG-IAGOWNOFSA-N 1 3 318.509 2.429 20 0 DEADHO C[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1ccc(S(C)(=O)=O)cc1 ZINC000423266240 299417287 /nfs/dbraw/zinc/41/72/87/299417287.db2.gz DHGOMZDWLLQVDO-BJJXKVORSA-N 1 3 310.463 2.258 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)/C=C/C[NH+](C)C)N(C)C)cc1 ZINC000264621016 204032691 /nfs/dbraw/zinc/03/26/91/204032691.db2.gz KXJOTMUGBHDKOK-IWAYRVGRSA-N 1 3 303.450 2.086 20 0 DEADHO CN1CCC(N2CC[C@@H]([NH2+]C3CC(OC(C)(C)C)C3)C2)CC1 ZINC000679339874 541841739 /nfs/dbraw/zinc/84/17/39/541841739.db2.gz LAKAXBNJIOHPCG-HPUBIQBYSA-N 1 3 309.498 2.091 20 0 DEADHO CC1(C)[C@H](O)C[C@@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000679375065 541846088 /nfs/dbraw/zinc/84/60/88/541846088.db2.gz YRDIVJQOMGWBJI-ZWKOTPCHSA-N 1 3 318.461 2.410 20 0 DEADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000295042020 284328879 /nfs/dbraw/zinc/32/88/79/284328879.db2.gz OVICYZGCLACXBY-WQVCFCJDSA-N 1 3 315.417 2.028 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)C1 ZINC000177852426 284342136 /nfs/dbraw/zinc/34/21/36/284342136.db2.gz UCRKIKMXZXYFGY-BBWFWOEESA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)C1 ZINC000177852426 284342137 /nfs/dbraw/zinc/34/21/37/284342137.db2.gz UCRKIKMXZXYFGY-BBWFWOEESA-N 1 3 324.513 2.090 20 0 DEADHO CNC[C@@](C)(O)C[N@@H+]1C[C@@H](c2cccc(OC)c2)C(C)(C)C1 ZINC000530230563 284381163 /nfs/dbraw/zinc/38/11/63/284381163.db2.gz HQXVLXXSWNHORU-FUHWJXTLSA-N 1 3 306.450 2.091 20 0 DEADHO CNC[C@@](C)(O)C[N@H+]1C[C@@H](c2cccc(OC)c2)C(C)(C)C1 ZINC000530230563 284381164 /nfs/dbraw/zinc/38/11/64/284381164.db2.gz HQXVLXXSWNHORU-FUHWJXTLSA-N 1 3 306.450 2.091 20 0 DEADHO c1[nH]nc2cc(CN3CCC(CO[C@@H]4CC[NH2+]C4)CC3)ccc12 ZINC000530247642 284384981 /nfs/dbraw/zinc/38/49/81/284384981.db2.gz BKTDVBJMLYEAMV-QGZVFWFLSA-N 1 3 314.433 2.153 20 0 DEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NCCCC[N@H+](C)C1CC1 ZINC000454875778 246219132 /nfs/dbraw/zinc/21/91/32/246219132.db2.gz OEJNZUBBHQWNFG-MRXNPFEDSA-N 1 3 324.513 2.280 20 0 DEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000454875778 246219138 /nfs/dbraw/zinc/21/91/38/246219138.db2.gz OEJNZUBBHQWNFG-MRXNPFEDSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H](CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)N(C)C ZINC000458565637 248373936 /nfs/dbraw/zinc/37/39/36/248373936.db2.gz IZCLJIRWCJBHFT-GTPINHCMSA-N 1 3 324.513 2.279 20 0 DEADHO CN1CCC[C@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC000681512513 542159521 /nfs/dbraw/zinc/15/95/21/542159521.db2.gz NTGOWCPELSONJZ-INIZCTEOSA-N 1 3 324.513 2.425 20 0 DEADHO CN(C)C/C=C/C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000492833125 249150280 /nfs/dbraw/zinc/15/02/80/249150280.db2.gz DBAGJXSLRHCGGF-DHZHZOJOSA-N 1 3 315.461 2.407 20 0 DEADHO C[C@@H]1CC2(CN1CC(=O)N(C1CC1)C1CCCC1)CC[NH2+]CC2 ZINC000424293014 296294319 /nfs/dbraw/zinc/29/43/19/296294319.db2.gz PGBAKPADIBEZEZ-OAHLLOKOSA-N 1 3 319.493 2.384 20 0 DEADHO COCC[C@](C)(O)C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000268911053 207078971 /nfs/dbraw/zinc/07/89/71/207078971.db2.gz MYWHGOGAWTVNQH-QAPCUYQASA-N 1 3 324.465 2.065 20 0 DEADHO C[C@H](CC[NH+](C)C)N[C@H](C)CC(=O)Nc1cccnc1Cl ZINC000269002701 207158801 /nfs/dbraw/zinc/15/88/01/207158801.db2.gz LYUKTOAUCMVHJT-VXGBXAGGSA-N 1 3 312.845 2.382 20 0 DEADHO CN(CC(C)(C)C[NH3+])C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000269200224 207320408 /nfs/dbraw/zinc/32/04/08/207320408.db2.gz VRSPQHNVSBJXPD-UHFFFAOYSA-N 1 3 317.477 2.342 20 0 DEADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000066174425 184394977 /nfs/dbraw/zinc/39/49/77/184394977.db2.gz BISLOYBBHCQFRL-RDJZCZTQSA-N 1 3 320.481 2.319 20 0 DEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000066174425 184394978 /nfs/dbraw/zinc/39/49/78/184394978.db2.gz BISLOYBBHCQFRL-RDJZCZTQSA-N 1 3 320.481 2.319 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000066192988 184396147 /nfs/dbraw/zinc/39/61/47/184396147.db2.gz OAFLGPAWRHIDIL-QGZVFWFLSA-N 1 3 322.497 2.131 20 0 DEADHO CC[NH+](CC)CCSCC(=O)Nc1ccc2c(c1)CNCC2 ZINC000269227217 207348078 /nfs/dbraw/zinc/34/80/78/207348078.db2.gz UPQUOXIRGMSYPG-UHFFFAOYSA-N 1 3 321.490 2.346 20 0 DEADHO C[NH+](C)CCc1ccc(NC(=O)[C@@H](N)Cc2ccccc2)cc1 ZINC000269256547 207399322 /nfs/dbraw/zinc/39/93/22/207399322.db2.gz SWHBJTDTZGVXNT-SFHVURJKSA-N 1 3 311.429 2.299 20 0 DEADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCCOCC1CCOCC1 ZINC000422781104 532994327 /nfs/dbraw/zinc/99/43/27/532994327.db2.gz KKAOYEFNIIAKEE-APWZRJJASA-N 1 3 320.477 2.368 20 0 DEADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC(C(N)=O)CC1 ZINC000158618314 197289193 /nfs/dbraw/zinc/28/91/93/197289193.db2.gz CTYDFBFZKUDTAW-UHFFFAOYSA-N 1 3 317.477 2.342 20 0 DEADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC(C(N)=O)CC1 ZINC000158618314 197289195 /nfs/dbraw/zinc/28/91/95/197289195.db2.gz CTYDFBFZKUDTAW-UHFFFAOYSA-N 1 3 317.477 2.342 20 0 DEADHO C[C@H]1C[C@H](NCc2ccncc2OCCC[NH+](C)C)CCO1 ZINC000288720321 220369724 /nfs/dbraw/zinc/36/97/24/220369724.db2.gz ZVAWFOGNUCOBFW-GOEBONIOSA-N 1 3 307.438 2.069 20 0 DEADHO CCN1CCC(NC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000416860292 285188901 /nfs/dbraw/zinc/18/89/01/285188901.db2.gz VPFHYRCODAXECO-RDJZCZTQSA-N 1 3 322.497 2.034 20 0 DEADHO CCN1CCC(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000339524718 285190532 /nfs/dbraw/zinc/19/05/32/285190532.db2.gz WCEMJFCBQIAKBM-UHFFFAOYSA-N 1 3 310.486 2.033 20 0 DEADHO COCCOCc1ccc(CN[C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000423138383 533144221 /nfs/dbraw/zinc/14/42/21/533144221.db2.gz JEEJOZZNXAQQIS-CRAIPNDOSA-N 1 3 306.450 2.327 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC[N@H+](C)C2CCCC2)c1 ZINC000156257528 197099394 /nfs/dbraw/zinc/09/93/94/197099394.db2.gz RNUGKOKQPGEIKX-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC[N@@H+](C)C2CCCC2)c1 ZINC000156257528 197099396 /nfs/dbraw/zinc/09/93/96/197099396.db2.gz RNUGKOKQPGEIKX-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO C[C@@H](NC(=O)NC[C@H]1CCCCN1C1CC1)C1CC[NH+](C)CC1 ZINC000683386485 542439704 /nfs/dbraw/zinc/43/97/04/542439704.db2.gz OADJBWOLESWRJF-RHSMWYFYSA-N 1 3 322.497 2.033 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000341042261 285257345 /nfs/dbraw/zinc/25/73/45/285257345.db2.gz AYDNIUMZMVOVAQ-HZPDHXFCSA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000341042261 285257348 /nfs/dbraw/zinc/25/73/48/285257348.db2.gz AYDNIUMZMVOVAQ-HZPDHXFCSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H](C(=O)N1CCCc2ccccc21)N1CCC[C@@H](CC[NH3+])C1 ZINC000443059379 533204331 /nfs/dbraw/zinc/20/43/31/533204331.db2.gz MORFOLLYFSVLEA-HOTGVXAUSA-N 1 3 315.461 2.415 20 0 DEADHO C[C@@H](F)CC[NH2+]C1(C)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001368656488 1148554966 /nfs/dbraw/zinc/55/49/66/1148554966.db2.gz PGNUNUPFYSPGIQ-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO COc1cccc(-c2n[nH]cc2C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)c1 ZINC000683844581 542503833 /nfs/dbraw/zinc/50/38/33/542503833.db2.gz RRRIEEUSFCNNOD-IYBDPMFKSA-N 1 3 312.417 2.079 20 0 DEADHO COc1cccc(-c2n[nH]cc2C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)c1 ZINC000683844581 542503837 /nfs/dbraw/zinc/50/38/37/542503837.db2.gz RRRIEEUSFCNNOD-IYBDPMFKSA-N 1 3 312.417 2.079 20 0 DEADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H](N)c1ccccc1 ZINC000418423169 533388952 /nfs/dbraw/zinc/38/89/52/533388952.db2.gz FJGYXQIWZWOMDE-WMLDXEAASA-N 1 3 318.465 2.058 20 0 DEADHO COc1cccc(C2(CN[C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])CC2)c1 ZINC000423127629 533436259 /nfs/dbraw/zinc/43/62/59/533436259.db2.gz UJAMXXNAKCZHIS-KBRIMQKVSA-N 1 3 304.434 2.069 20 0 DEADHO COc1cccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)N)CC2)c1 ZINC000423127629 533436263 /nfs/dbraw/zinc/43/62/63/533436263.db2.gz UJAMXXNAKCZHIS-KBRIMQKVSA-N 1 3 304.434 2.069 20 0 DEADHO COc1cccc(CNCC[C@@H]2CC[NH2+]C2)c1OC(F)F ZINC000414831339 533512311 /nfs/dbraw/zinc/51/23/11/533512311.db2.gz NDROTRQSLOYEAQ-NSHDSACASA-N 1 3 300.349 2.386 20 0 DEADHO CN1CCC[C@H](NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000684792722 542665246 /nfs/dbraw/zinc/66/52/46/542665246.db2.gz XQCQPAWBDJDCGU-DOTOQJQBSA-N 1 3 322.497 2.177 20 0 DEADHO CN1CCC[C@H](NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000684792722 542665250 /nfs/dbraw/zinc/66/52/50/542665250.db2.gz XQCQPAWBDJDCGU-DOTOQJQBSA-N 1 3 322.497 2.177 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC23CCC[NH+]2CCC3)c1 ZINC000684847442 542675748 /nfs/dbraw/zinc/67/57/48/542675748.db2.gz JQDBMVUUKWYBHP-UHFFFAOYSA-N 1 3 301.434 2.106 20 0 DEADHO c1ccc(N2CC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)nc1 ZINC000415088172 285484608 /nfs/dbraw/zinc/48/46/08/285484608.db2.gz UWVZEMDIXYUSOS-LUKYLMHMSA-N 1 3 300.450 2.171 20 0 DEADHO CCCC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000236764618 132555675 /nfs/dbraw/zinc/55/56/75/132555675.db2.gz AKHQVXYSFHEVEF-SJORKVTESA-N 1 3 305.466 2.485 20 0 DEADHO CCc1nc(CCN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)no1 ZINC000562748115 292008507 /nfs/dbraw/zinc/00/85/07/292008507.db2.gz WJZVJQMVIGHSMQ-GJZGRUSLSA-N 1 3 300.406 2.257 20 0 DEADHO C[C@@H](NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)C1=CCN(C)CC1 ZINC000358118900 133122150 /nfs/dbraw/zinc/12/21/50/133122150.db2.gz VLYRWHUYBSHSQZ-WBVHZDCISA-N 1 3 322.497 2.153 20 0 DEADHO C[C@@H](NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)C1=CCN(C)CC1 ZINC000358118900 133122151 /nfs/dbraw/zinc/12/21/51/133122151.db2.gz VLYRWHUYBSHSQZ-WBVHZDCISA-N 1 3 322.497 2.153 20 0 DEADHO COc1cc(OC)cc(OCCN[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000358264502 133132214 /nfs/dbraw/zinc/13/22/14/133132214.db2.gz IZFFADVHBYZBSR-SUMWQHHRSA-N 1 3 308.422 2.012 20 0 DEADHO COc1cc(OC)cc(OCCN[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000358264502 133132215 /nfs/dbraw/zinc/13/22/15/133132215.db2.gz IZFFADVHBYZBSR-SUMWQHHRSA-N 1 3 308.422 2.012 20 0 DEADHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000362892004 133257426 /nfs/dbraw/zinc/25/74/26/133257426.db2.gz CWTKASVASSFBPH-PBHICJAKSA-N 1 3 303.450 2.207 20 0 DEADHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000362892004 133257427 /nfs/dbraw/zinc/25/74/27/133257427.db2.gz CWTKASVASSFBPH-PBHICJAKSA-N 1 3 303.450 2.207 20 0 DEADHO Cc1cccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000376203676 133286433 /nfs/dbraw/zinc/28/64/33/133286433.db2.gz QTMVMHDOLLQFCC-HKUYNNGSSA-N 1 3 301.478 2.453 20 0 DEADHO CC(C)[NH2+]CCC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000564907822 292119979 /nfs/dbraw/zinc/11/99/79/292119979.db2.gz QYCQLZNDTCYAIM-WBVHZDCISA-N 1 3 303.450 2.326 20 0 DEADHO C[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000192606725 145076828 /nfs/dbraw/zinc/07/68/28/145076828.db2.gz HACLXTWHDRBCAV-HNAYVOBHSA-N 1 3 318.461 2.158 20 0 DEADHO COc1ccc(COCCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000192969934 145080906 /nfs/dbraw/zinc/08/09/06/145080906.db2.gz SPYHOSQCUBOTQJ-ALOPSCKCSA-N 1 3 304.434 2.427 20 0 DEADHO COc1ccc(COCCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000192969934 145080907 /nfs/dbraw/zinc/08/09/07/145080907.db2.gz SPYHOSQCUBOTQJ-ALOPSCKCSA-N 1 3 304.434 2.427 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000246823538 145115553 /nfs/dbraw/zinc/11/55/53/145115553.db2.gz COEIRVMIIUFWOD-LSDHHAIUSA-N 1 3 310.486 2.033 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000246823538 145115555 /nfs/dbraw/zinc/11/55/55/145115555.db2.gz COEIRVMIIUFWOD-LSDHHAIUSA-N 1 3 310.486 2.033 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000247054496 145125429 /nfs/dbraw/zinc/12/54/29/145125429.db2.gz HBNMFBYZGOCQMO-IRXDYDNUSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@H](C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000247481417 145138638 /nfs/dbraw/zinc/13/86/38/145138638.db2.gz UNKJPJLTJQULNJ-YYIAUSFCSA-N 1 3 307.482 2.192 20 0 DEADHO O[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000248416255 145154425 /nfs/dbraw/zinc/15/44/25/145154425.db2.gz PBRXQUQZMRVYPE-IEWDOMPSSA-N 1 3 300.446 2.400 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC000250536000 145193456 /nfs/dbraw/zinc/19/34/56/145193456.db2.gz YVUMAXOJMRMPOV-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC000250536000 145193457 /nfs/dbraw/zinc/19/34/57/145193457.db2.gz YVUMAXOJMRMPOV-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCC(CC)(C[NH3+])C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000261538971 145206228 /nfs/dbraw/zinc/20/62/28/145206228.db2.gz BGBYCCDTXRSRIE-INIZCTEOSA-N 1 3 303.450 2.142 20 0 DEADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000261831563 145232153 /nfs/dbraw/zinc/23/21/53/145232153.db2.gz OJASUYLWDCQZJO-NVXWUHKLSA-N 1 3 315.461 2.094 20 0 DEADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1oc2ccccc2c1CN(C)C ZINC000261901038 145239244 /nfs/dbraw/zinc/23/92/44/145239244.db2.gz WSONFHVGZKQQOL-CHWSQXEVSA-N 1 3 315.417 2.304 20 0 DEADHO COc1ccccc1N1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000261979394 145249139 /nfs/dbraw/zinc/24/91/39/145249139.db2.gz REJGZKMGJLLBRF-INIZCTEOSA-N 1 3 303.450 2.207 20 0 DEADHO C[NH2+]CCC1CCN([C@@H](C)C(=O)NCc2ccccc2C)CC1 ZINC000261984909 145250234 /nfs/dbraw/zinc/25/02/34/145250234.db2.gz JONHIYDBFSOWHA-INIZCTEOSA-N 1 3 317.477 2.321 20 0 DEADHO C[NH2+]CCC1CCN([C@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000261989408 145250792 /nfs/dbraw/zinc/25/07/92/145250792.db2.gz LETKAWDLVNRGRH-ISXOHVOVSA-N 1 3 309.498 2.391 20 0 DEADHO C[NH2+]CCC1CCN(Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000262012750 145252840 /nfs/dbraw/zinc/25/28/40/145252840.db2.gz UVMVJDUFABUZDO-UHFFFAOYSA-N 1 3 303.450 2.210 20 0 DEADHO C[NH2+]CCC1CCN([C@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000262016778 145253654 /nfs/dbraw/zinc/25/36/54/145253654.db2.gz WGIRYLLWOBXHEB-MRXNPFEDSA-N 1 3 317.477 2.355 20 0 DEADHO [NH3+]CC1CCN(Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000262141958 145265586 /nfs/dbraw/zinc/26/55/86/145265586.db2.gz PURYMZYIKVEZNH-GOSISDBHSA-N 1 3 304.434 2.415 20 0 DEADHO C[C@H](CN1CC[C@H](N2CC[NH2+]CC2)C1)c1cccc(Cl)c1 ZINC000262194708 145268881 /nfs/dbraw/zinc/26/88/81/145268881.db2.gz ZFJXUGZJHGHAHU-PBHICJAKSA-N 1 3 307.869 2.423 20 0 DEADHO C[C@H](CC(=O)NC[C@@H]1NCCc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000262301790 145275063 /nfs/dbraw/zinc/27/50/63/145275063.db2.gz BQAZBWHBDPDPSN-HFTRVMKXSA-N 1 3 315.461 2.015 20 0 DEADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262376633 145280389 /nfs/dbraw/zinc/28/03/89/145280389.db2.gz XIHRPQMWJHHZEO-VBYWAMKTSA-N 1 3 321.509 2.377 20 0 DEADHO FC(F)(F)c1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262392185 145280657 /nfs/dbraw/zinc/28/06/57/145280657.db2.gz BKHKILWPMSJIEX-HNNXBMFYSA-N 1 3 313.367 2.185 20 0 DEADHO COc1cc(C)c(CN2CCC(OCCC[NH3+])CC2)cc1OC ZINC000321630778 145377199 /nfs/dbraw/zinc/37/71/99/145377199.db2.gz ZJXMIPIDGVLIJM-UHFFFAOYSA-N 1 3 322.449 2.342 20 0 DEADHO C[C@H](CN(C)C)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000346138281 146022919 /nfs/dbraw/zinc/02/29/19/146022919.db2.gz GMTQMUFBFYMVLE-OAHLLOKOSA-N 1 3 303.450 2.352 20 0 DEADHO C[C@H]1CCN(C)CCN1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000346571162 146104613 /nfs/dbraw/zinc/10/46/13/146104613.db2.gz OAUULTHBOYGPCF-HNNXBMFYSA-N 1 3 318.465 2.349 20 0 DEADHO CCOc1cc(CN2CCC(OCCC[NH3+])CC2)ccc1OC ZINC000346695300 146126434 /nfs/dbraw/zinc/12/64/34/146126434.db2.gz ZRIDPEUHQOFEAB-UHFFFAOYSA-N 1 3 322.449 2.424 20 0 DEADHO FC(F)(F)Cn1cc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)cn1 ZINC000347033698 146183398 /nfs/dbraw/zinc/18/33/98/146183398.db2.gz BXOUEAYFGYHYMI-AWEZNQCLSA-N 1 3 316.371 2.409 20 0 DEADHO C[C@H]([NH2+]CCc1ccn(C)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000348253598 146242300 /nfs/dbraw/zinc/24/23/00/146242300.db2.gz KMDMAEAWNNWNHQ-WMZOPIPTSA-N 1 3 312.461 2.463 20 0 DEADHO C[C@H](NCCc1ccn(C)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348253598 146242301 /nfs/dbraw/zinc/24/23/01/146242301.db2.gz KMDMAEAWNNWNHQ-WMZOPIPTSA-N 1 3 312.461 2.463 20 0 DEADHO C[C@H](NCCc1ccn(C)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348253598 146242304 /nfs/dbraw/zinc/24/23/04/146242304.db2.gz KMDMAEAWNNWNHQ-WMZOPIPTSA-N 1 3 312.461 2.463 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+](C)[C@H]2CCC[C@H]2O)CC1 ZINC000348542109 146283984 /nfs/dbraw/zinc/28/39/84/146283984.db2.gz ASDRYJLCNYLKQD-RBUKOAKNSA-N 1 3 317.477 2.174 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+](C)[C@H]2CCC[C@H]2O)CC1 ZINC000348542109 146283985 /nfs/dbraw/zinc/28/39/85/146283985.db2.gz ASDRYJLCNYLKQD-RBUKOAKNSA-N 1 3 317.477 2.174 20 0 DEADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnc(C)s1 ZINC000349058918 146345282 /nfs/dbraw/zinc/34/52/82/146345282.db2.gz AFGZVJLGFFUVFL-OAHLLOKOSA-N 1 3 310.511 2.299 20 0 DEADHO CC(=O)Nc1ccccc1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357038948 147027618 /nfs/dbraw/zinc/02/76/18/147027618.db2.gz AKRHLEVDNSRLQF-INIZCTEOSA-N 1 3 301.434 2.467 20 0 DEADHO CCOc1cc2nccc(NCC[NH+](C)C)c2cc1OCC ZINC000358466402 147139828 /nfs/dbraw/zinc/13/98/28/147139828.db2.gz WQVFOLGIGDDUON-UHFFFAOYSA-N 1 3 303.406 2.428 20 0 DEADHO NC[C@H](C(=O)NCC1([NH3+])CCCCCC1)c1ccc(F)cc1 ZINC000358743743 147194710 /nfs/dbraw/zinc/19/47/10/147194710.db2.gz NBMAUYAGIKORKF-HNNXBMFYSA-N 1 3 307.413 2.036 20 0 DEADHO C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H](CN)c2ccc(F)cc2)cc1 ZINC000358744316 147195305 /nfs/dbraw/zinc/19/53/05/147195305.db2.gz NSFKNPCMWDKRAT-SJCJKPOMSA-N 1 3 315.392 2.204 20 0 DEADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000358865653 147221562 /nfs/dbraw/zinc/22/15/62/147221562.db2.gz NMAVBRYMUGMSEZ-VBQJREDUSA-N 1 3 321.440 2.247 20 0 DEADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000358865653 147221565 /nfs/dbraw/zinc/22/15/65/147221565.db2.gz NMAVBRYMUGMSEZ-VBQJREDUSA-N 1 3 321.440 2.247 20 0 DEADHO C[C@@H](CNC(=O)[C@@H](CN)c1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000358869592 147222351 /nfs/dbraw/zinc/22/23/51/147222351.db2.gz YDRURLUTWQXCBI-YOEHRIQHSA-N 1 3 321.440 2.106 20 0 DEADHO Cn1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000358998130 147244440 /nfs/dbraw/zinc/24/44/40/147244440.db2.gz VYLMDQUTDXKZAI-LJQANCHMSA-N 1 3 313.445 2.272 20 0 DEADHO Cn1ccc(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000358998130 147244442 /nfs/dbraw/zinc/24/44/42/147244442.db2.gz VYLMDQUTDXKZAI-LJQANCHMSA-N 1 3 313.445 2.272 20 0 DEADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H](CO)C3CCOCC3)CC2)C1 ZINC000360824928 147390721 /nfs/dbraw/zinc/39/07/21/147390721.db2.gz KRDYGLOOCNUMET-MNEFBYGVSA-N 1 3 324.509 2.407 20 0 DEADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H](CO)C3CCOCC3)CC2)C1 ZINC000360824928 147390722 /nfs/dbraw/zinc/39/07/22/147390722.db2.gz KRDYGLOOCNUMET-MNEFBYGVSA-N 1 3 324.509 2.407 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)Cc2cnccn2)[C@@H](C)C1 ZINC000360856068 147396970 /nfs/dbraw/zinc/39/69/70/147396970.db2.gz GFTVYHWDDIADOO-BQFCYCMXSA-N 1 3 320.481 2.134 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)Cc2cnccn2)[C@@H](C)C1 ZINC000360856068 147396972 /nfs/dbraw/zinc/39/69/72/147396972.db2.gz GFTVYHWDDIADOO-BQFCYCMXSA-N 1 3 320.481 2.134 20 0 DEADHO Cc1ccc(S(=O)(=O)C[C@H](C)NCCC2=CC[NH2+]CC2)cc1 ZINC000423534581 292171605 /nfs/dbraw/zinc/17/16/05/292171605.db2.gz AIHMQHCXJRRRIN-HNNXBMFYSA-N 1 3 322.474 2.057 20 0 DEADHO C[NH2+]C[C@@H]1CCCN1C(=O)NCc1ncoc1-c1ccccc1 ZINC000565647341 292175172 /nfs/dbraw/zinc/17/51/72/292175172.db2.gz XMKHFYABTNPONC-AWEZNQCLSA-N 1 3 314.389 2.235 20 0 DEADHO CN1CCC[C@H](CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1c1cccs1 ZINC000372105682 148170286 /nfs/dbraw/zinc/17/02/86/148170286.db2.gz OZTBKQVXYJRSBX-HGTKMLMNSA-N 1 3 321.490 2.375 20 0 DEADHO CN1CCC[C@@H](CNC(=O)C2CC[NH2+]CC2)[C@H]1c1cccs1 ZINC000372105222 148170482 /nfs/dbraw/zinc/17/04/82/148170482.db2.gz IDYIBHGUJVXAEM-HOCLYGCPSA-N 1 3 321.490 2.247 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC000166240611 286062412 /nfs/dbraw/zinc/06/24/12/286062412.db2.gz IEGIKFUFYXKBCI-NJAFHUGGSA-N 1 3 311.514 2.053 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)C[C@@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000166330136 292198899 /nfs/dbraw/zinc/19/88/99/292198899.db2.gz QWQRYJVKRRMLMF-ZWKOTPCHSA-N 1 3 315.461 2.390 20 0 DEADHO CC(C)Oc1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)cc1 ZINC000566089612 292204048 /nfs/dbraw/zinc/20/40/48/292204048.db2.gz YDRFCKDAAXJHEV-BMGDILEWSA-N 1 3 306.450 2.358 20 0 DEADHO CC(C)Oc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000566089612 292204050 /nfs/dbraw/zinc/20/40/50/292204050.db2.gz YDRFCKDAAXJHEV-BMGDILEWSA-N 1 3 306.450 2.358 20 0 DEADHO CC1CCN(CCNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000073659676 401720020 /nfs/dbraw/zinc/72/00/20/401720020.db2.gz KOENHAFOAFUVJK-KRWDZBQOSA-N 1 3 324.513 2.234 20 0 DEADHO CC1CCN(CCNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000073659676 401720022 /nfs/dbraw/zinc/72/00/22/401720022.db2.gz KOENHAFOAFUVJK-KRWDZBQOSA-N 1 3 324.513 2.234 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000073897837 401724707 /nfs/dbraw/zinc/72/47/07/401724707.db2.gz DXPQISRVYJWXAB-DLBZAZTESA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)[NH2+]C1CCN(C(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000111818810 401724986 /nfs/dbraw/zinc/72/49/86/401724986.db2.gz OHHKIGLKXBQKEJ-HNNXBMFYSA-N 1 3 310.486 2.033 20 0 DEADHO CC[C@]1(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCC[NH2+]1 ZINC000128970439 401797103 /nfs/dbraw/zinc/79/71/03/401797103.db2.gz UHKYRWKNAAYOBY-PKOBYXMFSA-N 1 3 315.461 2.472 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@](C)(O)C2)CC1 ZINC000129536164 401805312 /nfs/dbraw/zinc/80/53/12/401805312.db2.gz LWINMRKOWAXFKK-IBGZPJMESA-N 1 3 317.477 2.175 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@](C)(O)C2)CC1 ZINC000129536164 401805313 /nfs/dbraw/zinc/80/53/13/401805313.db2.gz LWINMRKOWAXFKK-IBGZPJMESA-N 1 3 317.477 2.175 20 0 DEADHO Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CC[C@H](CN(C)C)C2)c1C ZINC000113516355 401781666 /nfs/dbraw/zinc/78/16/66/401781666.db2.gz QVTDYBRFVFCVIL-MSOLQXFVSA-N 1 3 320.477 2.235 20 0 DEADHO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CC[C@H](CN(C)C)C2)c1C ZINC000113516355 401781668 /nfs/dbraw/zinc/78/16/68/401781668.db2.gz QVTDYBRFVFCVIL-MSOLQXFVSA-N 1 3 320.477 2.235 20 0 DEADHO CN(C[C@@H]1CCCN(C)C1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000115781674 401836580 /nfs/dbraw/zinc/83/65/80/401836580.db2.gz SKKKLHHGAMPUAT-CQSZACIVSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)CCN2CCCC2)C1 ZINC000131021826 401842505 /nfs/dbraw/zinc/84/25/05/401842505.db2.gz MNCNRIBJIGZVGY-KRWDZBQOSA-N 1 3 324.513 2.092 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(C)CCN2CCCC2)C1 ZINC000131021826 401842508 /nfs/dbraw/zinc/84/25/08/401842508.db2.gz MNCNRIBJIGZVGY-KRWDZBQOSA-N 1 3 324.513 2.092 20 0 DEADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000132209194 401863465 /nfs/dbraw/zinc/86/34/65/401863465.db2.gz ZKLANLBNMRQAMU-NJAFHUGGSA-N 1 3 315.461 2.250 20 0 DEADHO CC[C@@]1(C(=O)NC[C@H](C)N(C)Cc2ccccc2)CCC[NH2+]1 ZINC000134603138 401907694 /nfs/dbraw/zinc/90/76/94/401907694.db2.gz QGCUSKMVZYBNQH-YJBOKZPZSA-N 1 3 303.450 2.155 20 0 DEADHO C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)N1CCC(C)CC1 ZINC000085395407 401915790 /nfs/dbraw/zinc/91/57/90/401915790.db2.gz IRYHKUTUWZJTPK-BBWFWOEESA-N 1 3 324.513 2.088 20 0 DEADHO C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C)N1CCC(C)CC1 ZINC000085395407 401915792 /nfs/dbraw/zinc/91/57/92/401915792.db2.gz IRYHKUTUWZJTPK-BBWFWOEESA-N 1 3 324.513 2.088 20 0 DEADHO CC(C)[NH+](CCNC(=O)NCCN1CCC(C)CC1)C(C)C ZINC000047684248 401987924 /nfs/dbraw/zinc/98/79/24/401987924.db2.gz FNQMEKDDTORRQD-UHFFFAOYSA-N 1 3 312.502 2.136 20 0 DEADHO CN(C)Cc1cccc(NC(=O)NCCC[NH+]2CCCC2)c1 ZINC000044277469 401941097 /nfs/dbraw/zinc/94/10/97/401941097.db2.gz ZQNRDWKJJAHWEZ-UHFFFAOYSA-N 1 3 304.438 2.356 20 0 DEADHO C[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000044534835 401944993 /nfs/dbraw/zinc/94/49/93/401944993.db2.gz XFKROCGERCDLTI-UONOGXRCSA-N 1 3 310.463 2.083 20 0 DEADHO CCN(CC(C)C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051760200 402036793 /nfs/dbraw/zinc/03/67/93/402036793.db2.gz ZRFKNXMYZREIAW-UHFFFAOYSA-N 1 3 324.513 2.233 20 0 DEADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2ccco2)CC1 ZINC000092426894 402004610 /nfs/dbraw/zinc/00/46/10/402004610.db2.gz QVBUUMFRPFNPKG-UHFFFAOYSA-N 1 3 321.465 2.196 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1c(C)cccc1C)N(C)C ZINC001422738415 1172837247 /nfs/dbraw/zinc/83/72/47/1172837247.db2.gz ZUINWAJBODSSEG-DOTOQJQBSA-N 1 3 305.466 2.238 20 0 DEADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000123969390 402157084 /nfs/dbraw/zinc/15/70/84/402157084.db2.gz BQNXAUSATYVQDZ-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000123969390 402157086 /nfs/dbraw/zinc/15/70/86/402157086.db2.gz BQNXAUSATYVQDZ-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)CC3CCCC3)CC2)CC1 ZINC000124392478 402178315 /nfs/dbraw/zinc/17/83/15/402178315.db2.gz AQKAIXLGXQHMDK-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106530759 402214170 /nfs/dbraw/zinc/21/41/70/402214170.db2.gz IJQRQGPJENXDDJ-HOTGVXAUSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106530759 402214172 /nfs/dbraw/zinc/21/41/72/402214172.db2.gz IJQRQGPJENXDDJ-HOTGVXAUSA-N 1 3 322.497 2.177 20 0 DEADHO CCCC[C@@H](N)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000154536076 402216992 /nfs/dbraw/zinc/21/69/92/402216992.db2.gz MZAJHPCMCIHCPI-QGZVFWFLSA-N 1 3 303.450 2.416 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])[C@@H](C)CC)N(C)C)cc1 ZINC000155605662 402262381 /nfs/dbraw/zinc/26/23/81/402262381.db2.gz XHKVWRZNHMPJRQ-XKQJLSEDSA-N 1 3 305.466 2.341 20 0 DEADHO C[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)N(C)C1CC1 ZINC000105263885 402207724 /nfs/dbraw/zinc/20/77/24/402207724.db2.gz IKRRZTMPIGWXDK-DOTOQJQBSA-N 1 3 322.497 2.129 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N(C)C ZINC000125011111 402208794 /nfs/dbraw/zinc/20/87/94/402208794.db2.gz JSCIICBNBUITSA-HOCLYGCPSA-N 1 3 323.506 2.417 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N(C)C ZINC000125011111 402208796 /nfs/dbraw/zinc/20/87/96/402208796.db2.gz JSCIICBNBUITSA-HOCLYGCPSA-N 1 3 323.506 2.417 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N(C)C ZINC000125011352 402208871 /nfs/dbraw/zinc/20/88/71/402208871.db2.gz JSCIICBNBUITSA-GOEBONIOSA-N 1 3 323.506 2.417 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N(C)C ZINC000125011352 402208872 /nfs/dbraw/zinc/20/88/72/402208872.db2.gz JSCIICBNBUITSA-GOEBONIOSA-N 1 3 323.506 2.417 20 0 DEADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@]2(O)CCSC2)CC1 ZINC000158271508 402303821 /nfs/dbraw/zinc/30/38/21/402303821.db2.gz FXVDGGDUFCFBON-HYVNUMGLSA-N 1 3 312.523 2.487 20 0 DEADHO CC(=O)NCCCN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158839440 402312344 /nfs/dbraw/zinc/31/23/44/402312344.db2.gz CMMXWZOQAAISPX-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CC(=O)NCCCN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158839440 402312345 /nfs/dbraw/zinc/31/23/45/402312345.db2.gz CMMXWZOQAAISPX-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000159096366 402317574 /nfs/dbraw/zinc/31/75/74/402317574.db2.gz RQOOQSCKBACDSR-QGZVFWFLSA-N 1 3 303.450 2.107 20 0 DEADHO C[NH+](C)CCOCCNCc1ccc(F)c(Br)c1 ZINC000231676575 402355038 /nfs/dbraw/zinc/35/50/38/402355038.db2.gz JZBJEADTEINMHE-UHFFFAOYSA-N 1 3 319.218 2.256 20 0 DEADHO OC1(c2cccnc2)CCC([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000186338567 402422832 /nfs/dbraw/zinc/42/28/32/402422832.db2.gz ZJEDPERKRXKVGZ-CXUOOODFSA-N 1 3 315.461 2.428 20 0 DEADHO OC1(c2cccnc2)CCC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000186338567 402422834 /nfs/dbraw/zinc/42/28/34/402422834.db2.gz ZJEDPERKRXKVGZ-CXUOOODFSA-N 1 3 315.461 2.428 20 0 DEADHO OC1(c2cccnc2)CCC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000186338567 402422837 /nfs/dbraw/zinc/42/28/37/402422837.db2.gz ZJEDPERKRXKVGZ-CXUOOODFSA-N 1 3 315.461 2.428 20 0 DEADHO O=C(NC[C@H]1CCCN(Cc2cccs2)C1)[C@@H]1CCCC[NH2+]1 ZINC000238007090 402431931 /nfs/dbraw/zinc/43/19/31/402431931.db2.gz RHQPUWDGUAEZTG-ZBFHGGJFSA-N 1 3 321.490 2.218 20 0 DEADHO CC[C@@H](CO)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000186518566 402438311 /nfs/dbraw/zinc/43/83/11/402438311.db2.gz MSJDSBABDMFKQO-INIZCTEOSA-N 1 3 305.466 2.078 20 0 DEADHO CCCN(C(=O)c1cccc(CN(C)C)c1)C1CC[NH2+]CC1 ZINC000163294768 402446318 /nfs/dbraw/zinc/44/63/18/402446318.db2.gz GOGWOTHADOHDGR-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO CC[C@H](N)C(=O)Nc1ccc(OC)c(OCC[NH+](CC)CC)c1 ZINC000236953763 402389508 /nfs/dbraw/zinc/38/95/08/402389508.db2.gz QFQURFXQGICSDC-AWEZNQCLSA-N 1 3 323.437 2.092 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCNC(=O)c1ccccc1Cl ZINC000178170218 402467218 /nfs/dbraw/zinc/46/72/18/402467218.db2.gz GVYBTZRQLQMRQX-DVOMOZLQSA-N 1 3 323.868 2.388 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCNC(=O)c1ccccc1Cl ZINC000178170218 402467221 /nfs/dbraw/zinc/46/72/21/402467221.db2.gz GVYBTZRQLQMRQX-DVOMOZLQSA-N 1 3 323.868 2.388 20 0 DEADHO C[C@@H](N)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000164839164 402469626 /nfs/dbraw/zinc/46/96/26/402469626.db2.gz XDBHAWFEUCLSQI-SOUVJXGZSA-N 1 3 303.450 2.128 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)c1ccsc1 ZINC000164901243 402470235 /nfs/dbraw/zinc/47/02/35/402470235.db2.gz JTELIBNZLMIUHE-HOCLYGCPSA-N 1 3 309.479 2.247 20 0 DEADHO CCN(CC)[C@H](CNC(=O)C[C@@H]1CCC[NH2+]1)c1ccsc1 ZINC000164905023 402470529 /nfs/dbraw/zinc/47/05/29/402470529.db2.gz UWPAPBBNPAYYNM-LSDHHAIUSA-N 1 3 309.479 2.389 20 0 DEADHO CC(C)C[C@H]([NH3+])C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000164920544 402470970 /nfs/dbraw/zinc/47/09/70/402470970.db2.gz KBBMNVVUWDSHJH-KRWDZBQOSA-N 1 3 317.477 2.313 20 0 DEADHO CN(C(=O)C[C@@H]1CCC[NH2+]1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000165494143 402476869 /nfs/dbraw/zinc/47/68/69/402476869.db2.gz LYUMMLDWUQXJCW-ROUUACIJSA-N 1 3 315.461 2.252 20 0 DEADHO C[C@@H](CC(=O)N1CCC[C@@H]1CN1CCCCC1)C1CC[NH2+]CC1 ZINC000165688981 402477578 /nfs/dbraw/zinc/47/75/78/402477578.db2.gz FODQQODXXMRKCF-FUHWJXTLSA-N 1 3 321.509 2.489 20 0 DEADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1ccc2c(c1)OCO2 ZINC000166055164 402481380 /nfs/dbraw/zinc/48/13/80/402481380.db2.gz FVROXOQQQUEFQY-UKRRQHHQSA-N 1 3 308.422 2.423 20 0 DEADHO O=C(C[NH2+]CC1CC1)NCC1CCN(Cc2cccs2)CC1 ZINC000166211125 402482748 /nfs/dbraw/zinc/48/27/48/402482748.db2.gz UNIZHKBSEHNMOM-UHFFFAOYSA-N 1 3 321.490 2.076 20 0 DEADHO [NH3+][C@H]1CCC[C@@H](C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000168999666 402499412 /nfs/dbraw/zinc/49/94/12/402499412.db2.gz FTGWSRDQZZSSLS-SQNIBIBYSA-N 1 3 315.461 2.285 20 0 DEADHO CCN(CC)CC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000187467146 402502142 /nfs/dbraw/zinc/50/21/42/402502142.db2.gz TWWAXHBZSVEQBF-SFHVURJKSA-N 1 3 317.477 2.355 20 0 DEADHO CCN(CC)CC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000187467146 402502145 /nfs/dbraw/zinc/50/21/45/402502145.db2.gz TWWAXHBZSVEQBF-SFHVURJKSA-N 1 3 317.477 2.355 20 0 DEADHO C[C@@H]([NH3+])C1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000178856423 402547177 /nfs/dbraw/zinc/54/71/77/402547177.db2.gz BPVXLXPLKNJEBR-OAHLLOKOSA-N 1 3 315.461 2.482 20 0 DEADHO C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H](C)N1 ZINC000247127142 402557665 /nfs/dbraw/zinc/55/76/65/402557665.db2.gz NGWOIHVEVHCKGE-NUJGCVRESA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)N1 ZINC000247127142 402557667 /nfs/dbraw/zinc/55/76/67/402557667.db2.gz NGWOIHVEVHCKGE-NUJGCVRESA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H]1CCCN(C)C1 ZINC000247261331 402561294 /nfs/dbraw/zinc/56/12/94/402561294.db2.gz WZLCIJJBTUFLQF-IAGOWNOFSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H]1CCCN(C)C1 ZINC000247261331 402561297 /nfs/dbraw/zinc/56/12/97/402561297.db2.gz WZLCIJJBTUFLQF-IAGOWNOFSA-N 1 3 324.513 2.282 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)CC1 ZINC000246188820 402516616 /nfs/dbraw/zinc/51/66/16/402516616.db2.gz ICXLGTSTMMMDDH-DOTOQJQBSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000246321182 402524950 /nfs/dbraw/zinc/52/49/50/402524950.db2.gz MWUIDVDQGGBZMF-GOEBONIOSA-N 1 3 324.513 2.231 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000246396544 402529532 /nfs/dbraw/zinc/52/95/32/402529532.db2.gz RHRDAXMEVQNFFQ-IAGOWNOFSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000246396544 402529533 /nfs/dbraw/zinc/52/95/33/402529533.db2.gz RHRDAXMEVQNFFQ-IAGOWNOFSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H](CNC(=O)N[C@@H](C)CN1CCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000248865502 402611856 /nfs/dbraw/zinc/61/18/56/402611856.db2.gz GPQLNWQRKODMND-IXDOHACOSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H](CNC(=O)N[C@@H](C)CN1CCCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000248865502 402611858 /nfs/dbraw/zinc/61/18/58/402611858.db2.gz GPQLNWQRKODMND-IXDOHACOSA-N 1 3 324.513 2.280 20 0 DEADHO CC[NH+](CC)CC1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000566437075 292239831 /nfs/dbraw/zinc/23/98/31/292239831.db2.gz WBTJNCFSTMZUCY-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H](C)[C@@H](C)[NH3+])N2CCCC2)cc1 ZINC000192103971 402711433 /nfs/dbraw/zinc/71/14/33/402711433.db2.gz YZCUMNTVKSWCJU-INMHGKMJSA-N 1 3 303.450 2.231 20 0 DEADHO C[C@@H]([NH3+])[C@H](C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000192113898 402712364 /nfs/dbraw/zinc/71/23/64/402712364.db2.gz HUUVPJSXNAGEKN-LISAXSMJSA-N 1 3 317.477 2.481 20 0 DEADHO CN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)C1CCN(Cc2ccccc2)CC1 ZINC000261555724 402713804 /nfs/dbraw/zinc/71/38/04/402713804.db2.gz VDUAOSGITXRJGU-SJORKVTESA-N 1 3 315.461 2.237 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000173860614 402715838 /nfs/dbraw/zinc/71/58/38/402715838.db2.gz MFPYQUAHWVTNIL-IRXDYDNUSA-N 1 3 324.513 2.234 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000173860614 402715840 /nfs/dbraw/zinc/71/58/40/402715840.db2.gz MFPYQUAHWVTNIL-IRXDYDNUSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H]1CCC[C@@](CNC(=O)[C@H](N)Cc2ccccc2)([NH+](C)C)C1 ZINC000261759871 402717235 /nfs/dbraw/zinc/71/72/35/402717235.db2.gz PVABZRLGWMRYDV-SZVBFZGTSA-N 1 3 317.477 2.183 20 0 DEADHO CN(c1ccccc1CN[C@@H]1CCOC1)C1CC[NH+](C)CC1 ZINC000181992154 402663416 /nfs/dbraw/zinc/66/34/16/402663416.db2.gz IYEHEQCNRGSDTI-MRXNPFEDSA-N 1 3 303.450 2.096 20 0 DEADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](N)c1ccccc1 ZINC000262944315 402737512 /nfs/dbraw/zinc/73/75/12/402737512.db2.gz BTDLPZZBORPAOJ-IKGGRYGDSA-N 1 3 301.434 2.162 20 0 DEADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](N)c1ccccc1 ZINC000262944315 402737514 /nfs/dbraw/zinc/73/75/14/402737514.db2.gz BTDLPZZBORPAOJ-IKGGRYGDSA-N 1 3 301.434 2.162 20 0 DEADHO O=C(C1CCN(C2CC2)CC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000192582838 402738617 /nfs/dbraw/zinc/73/86/17/402738617.db2.gz FUYSENBTJWXUAB-QGZVFWFLSA-N 1 3 319.493 2.338 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000193091451 402764112 /nfs/dbraw/zinc/76/41/12/402764112.db2.gz BSDLLIZUJSONNJ-SJORKVTESA-N 1 3 303.450 2.185 20 0 DEADHO CC[C@H](C)[C@@H](N)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000195139405 402833583 /nfs/dbraw/zinc/83/35/83/402833583.db2.gz QTTRUYVYQMSILH-WMLDXEAASA-N 1 3 303.450 2.272 20 0 DEADHO C[C@H]([NH2+][C@H]1CCCCNC1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272173013 402905671 /nfs/dbraw/zinc/90/56/71/402905671.db2.gz GQNSKQRLCXWRDO-SZMVWBNQSA-N 1 3 315.461 2.155 20 0 DEADHO CC[N@H+](C)Cc1cccc(CNC(=O)C23CCCN2CCC3)c1 ZINC000278860883 402879368 /nfs/dbraw/zinc/87/93/68/402879368.db2.gz MCVSVJQYDDMPSQ-UHFFFAOYSA-N 1 3 315.461 2.383 20 0 DEADHO CC[N@@H+](C)Cc1cccc(CNC(=O)C23CCCN2CCC3)c1 ZINC000278860883 402879371 /nfs/dbraw/zinc/87/93/71/402879371.db2.gz MCVSVJQYDDMPSQ-UHFFFAOYSA-N 1 3 315.461 2.383 20 0 DEADHO CN(C)[C@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC000279139012 402908040 /nfs/dbraw/zinc/90/80/40/402908040.db2.gz CVMAJGCUFBABFK-MRXNPFEDSA-N 1 3 301.434 2.034 20 0 DEADHO CC[NH+](CC)CCOCCN(CCCO)Cc1ccccc1 ZINC000273105004 402972433 /nfs/dbraw/zinc/97/24/33/402972433.db2.gz WHIRLPMJHLUJBG-UHFFFAOYSA-N 1 3 308.466 2.229 20 0 DEADHO C[C@@H](CCO)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000268375247 403077823 /nfs/dbraw/zinc/07/78/23/403077823.db2.gz SUMNVZWPICBAFU-HNNXBMFYSA-N 1 3 305.466 2.078 20 0 DEADHO CCC[C@H](O)CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000268390060 403079233 /nfs/dbraw/zinc/07/92/33/403079233.db2.gz XCVMENZTRIXIGE-SFHVURJKSA-N 1 3 319.493 2.468 20 0 DEADHO CCC[C@H](O)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000268390060 403079235 /nfs/dbraw/zinc/07/92/35/403079235.db2.gz XCVMENZTRIXIGE-SFHVURJKSA-N 1 3 319.493 2.468 20 0 DEADHO Cc1n[nH]c(CC[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000274819015 403091051 /nfs/dbraw/zinc/09/10/51/403091051.db2.gz ZZGPCTRLMGCQMS-PBHICJAKSA-N 1 3 313.449 2.156 20 0 DEADHO Cc1cccc(C(=O)NCCN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000268769565 403112373 /nfs/dbraw/zinc/11/23/73/403112373.db2.gz DKMHLFFSQPHZAU-YQQAZPJKSA-N 1 3 303.450 2.043 20 0 DEADHO Cc1cccc(C(=O)NCCN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000268769565 403112376 /nfs/dbraw/zinc/11/23/76/403112376.db2.gz DKMHLFFSQPHZAU-YQQAZPJKSA-N 1 3 303.450 2.043 20 0 DEADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@H](O)CN1CCCC1 ZINC000268802309 403114911 /nfs/dbraw/zinc/11/49/11/403114911.db2.gz BLMLRTPMQQVYGH-QWQRMKEZSA-N 1 3 306.425 2.495 20 0 DEADHO CN1CCC(O)(C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000275680817 403115161 /nfs/dbraw/zinc/11/51/61/403115161.db2.gz ZXULKOHNYFPJFM-QZTJIDSGSA-N 1 3 302.462 2.444 20 0 DEADHO C[C@@H]([NH2+]CCCN1CCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000285567461 403329029 /nfs/dbraw/zinc/32/90/29/403329029.db2.gz HRQRQNZSRUPHHH-CYBMUJFWSA-N 1 3 303.406 2.154 20 0 DEADHO CC[N@H+](Cc1ccc(C(=O)N2CC[C@H](N(C)C)C2)cc1)C1CC1 ZINC000342854615 403373657 /nfs/dbraw/zinc/37/36/57/403373657.db2.gz BYPZLPVIXFQMOR-SFHVURJKSA-N 1 3 315.461 2.447 20 0 DEADHO CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H](N(C)C)C2)cc1)C1CC1 ZINC000342854615 403373658 /nfs/dbraw/zinc/37/36/58/403373658.db2.gz BYPZLPVIXFQMOR-SFHVURJKSA-N 1 3 315.461 2.447 20 0 DEADHO COCC[N@H+](C)CCCN[C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000292838075 403380062 /nfs/dbraw/zinc/38/00/62/403380062.db2.gz CAQBXJSZOUCYBQ-HNNXBMFYSA-N 1 3 321.465 2.007 20 0 DEADHO COCC[N@@H+](C)CCCN[C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000292838075 403380066 /nfs/dbraw/zinc/38/00/66/403380066.db2.gz CAQBXJSZOUCYBQ-HNNXBMFYSA-N 1 3 321.465 2.007 20 0 DEADHO C[C@@H]1CC[C@@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000345604748 403400202 /nfs/dbraw/zinc/40/02/02/403400202.db2.gz RUBPGNRPANNYRZ-HUUCEWRRSA-N 1 3 307.482 2.097 20 0 DEADHO COc1ccc([C@H](C)[NH2+]C[C@H](O)CN2CCCC2)c(C)c1OC ZINC000285918497 403410760 /nfs/dbraw/zinc/41/07/60/403410760.db2.gz DPOJYDHGXYAKLI-GJZGRUSLSA-N 1 3 322.449 2.120 20 0 DEADHO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl)CN(C)C ZINC000293351915 403449767 /nfs/dbraw/zinc/44/97/67/403449767.db2.gz GZCQCMYFOJDYHY-NEPJUHHUSA-N 1 3 312.845 2.239 20 0 DEADHO C[C@H](CN[C@@H](C)CC(=O)Nc1cccnc1Cl)C[NH+](C)C ZINC000293351915 403449773 /nfs/dbraw/zinc/44/97/73/403449773.db2.gz GZCQCMYFOJDYHY-NEPJUHHUSA-N 1 3 312.845 2.239 20 0 DEADHO CC[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccccc1F)N(C)C ZINC000298892214 403481826 /nfs/dbraw/zinc/48/18/26/403481826.db2.gz MHLZLKHNZPAARH-INIZCTEOSA-N 1 3 309.429 2.056 20 0 DEADHO C[C@H](C[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)CN(C)C ZINC000293718660 403547108 /nfs/dbraw/zinc/54/71/08/403547108.db2.gz PKZMZRSALWLRQS-ZIAGYGMSSA-N 1 3 305.422 2.492 20 0 DEADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000339950225 403503676 /nfs/dbraw/zinc/50/36/76/403503676.db2.gz YYBCDPIKQSDXMD-WBVHZDCISA-N 1 3 320.481 2.319 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1cccc(N2CCOCC2)c1 ZINC000293605779 403516123 /nfs/dbraw/zinc/51/61/23/403516123.db2.gz DSXLIQPWCNQTHQ-MDZRGWNJSA-N 1 3 317.477 2.342 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1cccc(N2CCOCC2)c1 ZINC000293605779 403516127 /nfs/dbraw/zinc/51/61/27/403516127.db2.gz DSXLIQPWCNQTHQ-MDZRGWNJSA-N 1 3 317.477 2.342 20 0 DEADHO C[C@@H](C[NH+](C)C)NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000287391810 403589361 /nfs/dbraw/zinc/58/93/61/403589361.db2.gz VNZYRRKRVIWJMQ-DOTOQJQBSA-N 1 3 318.465 2.073 20 0 DEADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(F)cc1 ZINC000346106676 403574208 /nfs/dbraw/zinc/57/42/08/403574208.db2.gz SJQCTQDYCMMVEX-UKRRQHHQSA-N 1 3 307.413 2.064 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H]1CN1CCN(CC2CCOCC2)CC1 ZINC000340277497 403576655 /nfs/dbraw/zinc/57/66/55/403576655.db2.gz IJZFNVHLHQVKFG-IBGZPJMESA-N 1 3 323.525 2.294 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H]1CN1CCN(CC2CCOCC2)CC1 ZINC000340277497 403576656 /nfs/dbraw/zinc/57/66/56/403576656.db2.gz IJZFNVHLHQVKFG-IBGZPJMESA-N 1 3 323.525 2.294 20 0 DEADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)CC[N@@H+]2CCCC[C@@H]2C)C[C@@H](C)C1 ZINC000346202313 403578662 /nfs/dbraw/zinc/57/86/62/403578662.db2.gz UBTDYRHDEBXDOO-MHORFTMASA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)CC[N@H+]2CCCC[C@@H]2C)C[C@@H](C)C1 ZINC000346202313 403578663 /nfs/dbraw/zinc/57/86/63/403578663.db2.gz UBTDYRHDEBXDOO-MHORFTMASA-N 1 3 321.509 2.440 20 0 DEADHO C[C@H](NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C(C)(C)n1cncn1 ZINC000340474873 403624313 /nfs/dbraw/zinc/62/43/13/403624313.db2.gz OVVWPAMVTBJLFD-OAGGEKHMSA-N 1 3 307.486 2.359 20 0 DEADHO C[C@H]([NH2+]CCCN1C[C@H](C)C[C@@H](C)C1)C(C)(C)n1cncn1 ZINC000340474873 403624317 /nfs/dbraw/zinc/62/43/17/403624317.db2.gz OVVWPAMVTBJLFD-OAGGEKHMSA-N 1 3 307.486 2.359 20 0 DEADHO COCC[C@@H](CO)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000343552016 403634210 /nfs/dbraw/zinc/63/42/10/403634210.db2.gz OLNKXLSUAVSEEG-QBUWPKIASA-N 1 3 318.461 2.169 20 0 DEADHO COCC[C@@H](CO)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000343552016 403634212 /nfs/dbraw/zinc/63/42/12/403634212.db2.gz OLNKXLSUAVSEEG-QBUWPKIASA-N 1 3 318.461 2.169 20 0 DEADHO C[NH+](C)C1CCC(NC(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000333254275 403708223 /nfs/dbraw/zinc/70/82/23/403708223.db2.gz HMEMJWOWEJITKC-UHFFFAOYSA-N 1 3 302.422 2.284 20 0 DEADHO C[C@H](C(=O)NCC1CCC(C[NH3+])CC1)[C@@H](N)c1ccccc1 ZINC000343647016 403676960 /nfs/dbraw/zinc/67/69/60/403676960.db2.gz SWOPJYKNTZUPES-PBMMVSLJSA-N 1 3 303.450 2.204 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000347386389 403689686 /nfs/dbraw/zinc/68/96/86/403689686.db2.gz YGADVKHHYFMHGK-HLLBOEOZSA-N 1 3 307.482 2.050 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000347386389 403689689 /nfs/dbraw/zinc/68/96/89/403689689.db2.gz YGADVKHHYFMHGK-HLLBOEOZSA-N 1 3 307.482 2.050 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CCN1C ZINC000340935879 403704430 /nfs/dbraw/zinc/70/44/30/403704430.db2.gz IUNFJDSSOUEZTK-OIISXLGYSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@H]1CC[NH2+]C[C@@H]1NC1CCC2(CC1)c1ccccc1NC2=O ZINC000333317202 403723161 /nfs/dbraw/zinc/72/31/61/403723161.db2.gz SZSGOPRYFCYSCH-QUNOEHBDSA-N 1 3 313.445 2.407 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)CC2CCN(C)CC2)C1 ZINC000347519856 403739254 /nfs/dbraw/zinc/73/92/54/403739254.db2.gz KICSZGIPNVXABG-MRXNPFEDSA-N 1 3 309.498 2.347 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)CC2CCN(C)CC2)C1 ZINC000347519856 403739258 /nfs/dbraw/zinc/73/92/58/403739258.db2.gz KICSZGIPNVXABG-MRXNPFEDSA-N 1 3 309.498 2.347 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CCN1C ZINC000341177208 403808969 /nfs/dbraw/zinc/80/89/69/403808969.db2.gz JRVMJSDEALWYHC-ILXRZTDVSA-N 1 3 312.502 2.135 20 0 DEADHO C[NH2+]C[C@H](C)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000361719743 403822041 /nfs/dbraw/zinc/82/20/41/403822041.db2.gz UYNVDKSJCMJFSD-KCQAQPDRSA-N 1 3 309.479 2.103 20 0 DEADHO CC(C)N1CCCN(C(=O)N[C@H](C)C[NH+]2CCCCCC2)CC1 ZINC000361721296 403823385 /nfs/dbraw/zinc/82/33/85/403823385.db2.gz QOJJJONJYMBENX-QGZVFWFLSA-N 1 3 324.513 2.377 20 0 DEADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc3c(c2)oc(=O)n3C)C[C@@H]1C ZINC000351643455 403825048 /nfs/dbraw/zinc/82/50/48/403825048.db2.gz DIJCOMARKWJDGD-DZGCQCFKSA-N 1 3 317.433 2.436 20 0 DEADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc3c(c2)oc(=O)n3C)C[C@@H]1C ZINC000351643455 403825052 /nfs/dbraw/zinc/82/50/52/403825052.db2.gz DIJCOMARKWJDGD-DZGCQCFKSA-N 1 3 317.433 2.436 20 0 DEADHO CC[NH+](CC)CC1CCN(Cc2cc(C(=O)OC)n(C)c2)CC1 ZINC000347634920 403784741 /nfs/dbraw/zinc/78/47/41/403784741.db2.gz JTJRQTSDEWUGLQ-UHFFFAOYSA-N 1 3 321.465 2.366 20 0 DEADHO CC1(C)CCCN[C@H]1C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000333626928 403796878 /nfs/dbraw/zinc/79/68/78/403796878.db2.gz SGQOFAYXGOXMQR-ZDUSSCGKSA-N 1 3 322.478 2.327 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000295210763 403797974 /nfs/dbraw/zinc/79/79/74/403797974.db2.gz PYTYFGMFPVAAIS-NUJGCVRESA-N 1 3 317.477 2.401 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)CCN1C ZINC000341209947 403835188 /nfs/dbraw/zinc/83/51/88/403835188.db2.gz VMFOIFDBWBNXCZ-CVEARBPZSA-N 1 3 322.497 2.129 20 0 DEADHO CN1CCC[C@@]2(CCN(C(=O)N[C@H](C[NH3+])C3CCCCC3)C2)C1 ZINC000333764014 403851189 /nfs/dbraw/zinc/85/11/89/403851189.db2.gz AXAKFMZMAKHLDX-SJLPKXTDSA-N 1 3 322.497 2.021 20 0 DEADHO CN1CCC[C@]2(CCN(C(=O)N[C@@H](C[NH3+])C3CCCCC3)C2)C1 ZINC000333764016 403851665 /nfs/dbraw/zinc/85/16/65/403851665.db2.gz AXAKFMZMAKHLDX-WMZOPIPTSA-N 1 3 322.497 2.021 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN[C@@H](C)c2ccc(C)cc2)CC1 ZINC000411448849 403860671 /nfs/dbraw/zinc/86/06/71/403860671.db2.gz CQRWGBWPSHOKAX-HNNXBMFYSA-N 1 3 303.450 2.246 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@H](C)[NH2+]C2CC2)N2CCCC2)cc1 ZINC000295336951 403863678 /nfs/dbraw/zinc/86/36/78/403863678.db2.gz ZXDPCVHFKYFSHH-MAUKXSAKSA-N 1 3 315.461 2.389 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000361793333 403869942 /nfs/dbraw/zinc/86/99/42/403869942.db2.gz WYUJJQZVAJAWLN-IKGGRYGDSA-N 1 3 324.513 2.375 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000361793333 403869952 /nfs/dbraw/zinc/86/99/52/403869952.db2.gz WYUJJQZVAJAWLN-IKGGRYGDSA-N 1 3 324.513 2.375 20 0 DEADHO C[C@@H]1C[C@H](NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)[C@H](C)O1 ZINC000295349743 403875848 /nfs/dbraw/zinc/87/58/48/403875848.db2.gz ILUMQGWITRJWDD-PDWMJMLSSA-N 1 3 318.461 2.299 20 0 DEADHO C[C@@H]1C[C@H](NCc2ccccc2C[N@H+]2CCC[C@H]2CO)[C@H](C)O1 ZINC000295349743 403875856 /nfs/dbraw/zinc/87/58/56/403875856.db2.gz ILUMQGWITRJWDD-PDWMJMLSSA-N 1 3 318.461 2.299 20 0 DEADHO COC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000361805007 403876209 /nfs/dbraw/zinc/87/62/09/403876209.db2.gz WETAFIPLNIEJAK-WBVHZDCISA-N 1 3 318.465 2.047 20 0 DEADHO CSc1ccccc1NC(=O)CCN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351853159 403962065 /nfs/dbraw/zinc/96/20/65/403962065.db2.gz NXHQBSPOUNEHRY-STQMWFEESA-N 1 3 307.463 2.406 20 0 DEADHO CCC1(CC)[C@H]([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)C[C@@H]1OC ZINC000362033752 403919427 /nfs/dbraw/zinc/91/94/27/403919427.db2.gz VFGHIEQOEPXZDW-JQHSSLGASA-N 1 3 323.525 2.338 20 0 DEADHO CCC1(CC)[C@H]([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)C[C@H]1OC ZINC000362033749 403919766 /nfs/dbraw/zinc/91/97/66/403919766.db2.gz VFGHIEQOEPXZDW-CGTJXYLNSA-N 1 3 323.525 2.338 20 0 DEADHO C[C@H](CNC(=O)NC1CCN(C2CC2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000337391197 403992863 /nfs/dbraw/zinc/99/28/63/403992863.db2.gz ZQWLTFSPZSTINO-HUUCEWRRSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@H](CNC(=O)NC1CCN(C2CC2)CC1)[N@H+]1CCCC[C@H]1C ZINC000337391197 403992868 /nfs/dbraw/zinc/99/28/68/403992868.db2.gz ZQWLTFSPZSTINO-HUUCEWRRSA-N 1 3 322.497 2.175 20 0 DEADHO CC1CC[NH+](C2CCC(NC(=O)N(C)CCN(C)C)CC2)CC1 ZINC000337422726 404012470 /nfs/dbraw/zinc/01/24/70/404012470.db2.gz VKACCOHHBCWKQX-UHFFFAOYSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000290056333 404022581 /nfs/dbraw/zinc/02/25/81/404022581.db2.gz VKLDPJISYWXDNO-KBAYOESNSA-N 1 3 315.461 2.155 20 0 DEADHO C[NH+](C)Cc1ccc(CN[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000352031040 404096262 /nfs/dbraw/zinc/09/62/62/404096262.db2.gz YHWAFEQJDAQZMY-IAGOWNOFSA-N 1 3 324.490 2.194 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000290105689 404043047 /nfs/dbraw/zinc/04/30/47/404043047.db2.gz YAQVEFQDGTYZOH-BZSNNMDCSA-N 1 3 315.461 2.155 20 0 DEADHO C[N@@H+]1CCCC[C@H]1CCN1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000411990513 404046769 /nfs/dbraw/zinc/04/67/69/404046769.db2.gz XPMRLOFPHVNLGP-KSZLIROESA-N 1 3 315.461 2.062 20 0 DEADHO C[N@H+]1CCCC[C@H]1CCN1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000411990513 404046774 /nfs/dbraw/zinc/04/67/74/404046774.db2.gz XPMRLOFPHVNLGP-KSZLIROESA-N 1 3 315.461 2.062 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000363067356 404062093 /nfs/dbraw/zinc/06/20/93/404062093.db2.gz GGVYSLHZDZOZKW-IRXDYDNUSA-N 1 3 316.449 2.497 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000363067356 404062096 /nfs/dbraw/zinc/06/20/96/404062096.db2.gz GGVYSLHZDZOZKW-IRXDYDNUSA-N 1 3 316.449 2.497 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000320586789 404067239 /nfs/dbraw/zinc/06/72/39/404067239.db2.gz BQOQGVGOHLTBCM-FUHWJXTLSA-N 1 3 318.461 2.117 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)CNC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000320586789 404067242 /nfs/dbraw/zinc/06/72/42/404067242.db2.gz BQOQGVGOHLTBCM-FUHWJXTLSA-N 1 3 318.461 2.117 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)CNC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000320586789 404067244 /nfs/dbraw/zinc/06/72/44/404067244.db2.gz BQOQGVGOHLTBCM-FUHWJXTLSA-N 1 3 318.461 2.117 20 0 DEADHO COc1ccc2c(c1)C[C@@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)CO2 ZINC000296060761 404073116 /nfs/dbraw/zinc/07/31/16/404073116.db2.gz RPAVBEUIOCBUST-DZGCQCFKSA-N 1 3 302.418 2.073 20 0 DEADHO COc1ccc2c(c1)C[C@@H](NC[C@@H]1CC[N@H+](C3CC3)C1)CO2 ZINC000296060761 404073122 /nfs/dbraw/zinc/07/31/22/404073122.db2.gz RPAVBEUIOCBUST-DZGCQCFKSA-N 1 3 302.418 2.073 20 0 DEADHO CCCN(C)CC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000337583929 404112532 /nfs/dbraw/zinc/11/25/32/404112532.db2.gz DIJAVEQPYMTYCB-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO C[C@@H](NC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)C1=CCN(C)CC1 ZINC000352072853 404124368 /nfs/dbraw/zinc/12/43/68/404124368.db2.gz AUGCQJRKGNFICV-HUUCEWRRSA-N 1 3 322.497 2.009 20 0 DEADHO COC[C@@H](NCc1ccncc1OCCC[NH+](C)C)C(C)C ZINC000290361235 404140580 /nfs/dbraw/zinc/14/05/80/404140580.db2.gz QTQGRARYQBTHFK-MRXNPFEDSA-N 1 3 309.454 2.173 20 0 DEADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)CC1 ZINC000349645518 404171672 /nfs/dbraw/zinc/17/16/72/404171672.db2.gz OGEYPOYBJDSRSX-HZPDHXFCSA-N 1 3 324.513 2.421 20 0 DEADHO CN1CCC(O)(C[NH2+]C2CCC(c3ccc(O)cc3)CC2)CC1 ZINC000344535119 404209934 /nfs/dbraw/zinc/20/99/34/404209934.db2.gz TXWZGSACBVXGAP-UHFFFAOYSA-N 1 3 318.461 2.465 20 0 DEADHO C[C@@H](CC[NH3+])NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000349983117 404284239 /nfs/dbraw/zinc/28/42/39/404284239.db2.gz APDAZBONQMTXPK-HOTGVXAUSA-N 1 3 317.477 2.183 20 0 DEADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN(C)CC[C@H]2C)C1 ZINC000355504779 404345205 /nfs/dbraw/zinc/34/52/05/404345205.db2.gz IRIRSGYMFATACQ-JKSUJKDBSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN(C)CC[C@H]2C)C1 ZINC000355504779 404345214 /nfs/dbraw/zinc/34/52/14/404345214.db2.gz IRIRSGYMFATACQ-JKSUJKDBSA-N 1 3 324.513 2.233 20 0 DEADHO COc1ccc([C@@H](C)NCCN2CCC([NH+](C)C)CC2)cc1O ZINC000290793607 404313643 /nfs/dbraw/zinc/31/36/43/404313643.db2.gz UVZDRQSJHOTIGW-CQSZACIVSA-N 1 3 321.465 2.077 20 0 DEADHO [NH3+]CC[C@H]1CCCCN1CCc1nc(-c2ccccc2)no1 ZINC000352504607 404419625 /nfs/dbraw/zinc/41/96/25/404419625.db2.gz SDLOAPQILPTBQK-OAHLLOKOSA-N 1 3 300.406 2.482 20 0 DEADHO C[C@H](NCCc1ccc(OCC[NH+](C)C)cc1)c1ccn(C)n1 ZINC000414112473 404516083 /nfs/dbraw/zinc/51/60/83/404516083.db2.gz JVZBZUFWQTVGLX-HNNXBMFYSA-N 1 3 316.449 2.254 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCCN(C)C2CC2)C1 ZINC000352666277 404528153 /nfs/dbraw/zinc/52/81/53/404528153.db2.gz VHPRDMKGWQTFHT-HZPDHXFCSA-N 1 3 324.513 2.138 20 0 DEADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C2CCN(C3CC3)CC2)C1 ZINC000338836310 404572319 /nfs/dbraw/zinc/57/23/19/404572319.db2.gz KOWYVUYVAAZHGV-INIZCTEOSA-N 1 3 319.493 2.051 20 0 DEADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C2CCN(C3CC3)CC2)C1 ZINC000338836310 404572325 /nfs/dbraw/zinc/57/23/25/404572325.db2.gz KOWYVUYVAAZHGV-INIZCTEOSA-N 1 3 319.493 2.051 20 0 DEADHO Cc1c[nH+]ccc1N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000373827862 404605560 /nfs/dbraw/zinc/60/55/60/404605560.db2.gz BFYLLYAWAPNZOF-UHFFFAOYSA-N 1 3 302.466 2.244 20 0 DEADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H](CO)[C@@H]3CCCOC3)CC2)C1 ZINC000414555760 404677863 /nfs/dbraw/zinc/67/78/63/404677863.db2.gz MKAUJIJRWQCZEU-ZAWLATJESA-N 1 3 324.509 2.407 20 0 DEADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H](CO)[C@@H]3CCCOC3)CC2)C1 ZINC000414555760 404677866 /nfs/dbraw/zinc/67/78/66/404677866.db2.gz MKAUJIJRWQCZEU-ZAWLATJESA-N 1 3 324.509 2.407 20 0 DEADHO CN(C)CC1(C[NH2+]Cc2ccc3c(c2)oc(=O)n3C)CCCC1 ZINC000352904481 404688360 /nfs/dbraw/zinc/68/83/60/404688360.db2.gz UZMHWTMXIGGKBL-UHFFFAOYSA-N 1 3 317.433 2.343 20 0 DEADHO Fc1ccc(-n2nccc2CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000414774619 404730596 /nfs/dbraw/zinc/73/05/96/404730596.db2.gz YQBYHMCTQDCINK-GASCZTMLSA-N 1 3 314.408 2.443 20 0 DEADHO C[C@H](CC1CCOCC1)C[N@@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000414773585 404730744 /nfs/dbraw/zinc/73/07/44/404730744.db2.gz DNUFASVAUIFMAX-WBVHZDCISA-N 1 3 310.482 2.127 20 0 DEADHO C[C@H](CC1CCOCC1)C[N@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000414773585 404730747 /nfs/dbraw/zinc/73/07/47/404730747.db2.gz DNUFASVAUIFMAX-WBVHZDCISA-N 1 3 310.482 2.127 20 0 DEADHO Cc1ccc(-c2ncc(CNCCCN3CC[NH2+]CC3)s2)o1 ZINC000414787615 404735209 /nfs/dbraw/zinc/73/52/09/404735209.db2.gz ZMBVIXDOOYCPNM-UHFFFAOYSA-N 1 3 320.462 2.096 20 0 DEADHO CN(c1ccccc1CNC[C@@H]1CCC[NH2+]1)C1CCN(C)CC1 ZINC000414822310 404742169 /nfs/dbraw/zinc/74/21/69/404742169.db2.gz DQRWLOQXVRKMBM-KRWDZBQOSA-N 1 3 316.493 2.059 20 0 DEADHO C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1(CN2CCOCC2)CCCCC1 ZINC000414834559 404744957 /nfs/dbraw/zinc/74/49/57/404744957.db2.gz SRUWINKPHIEREN-JWTNVVGKSA-N 1 3 321.509 2.142 20 0 DEADHO Cc1csc(N2CCC(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)n1 ZINC000414840254 404746267 /nfs/dbraw/zinc/74/62/67/404746267.db2.gz YJALNNIRCIHHHA-YIONKMFJSA-N 1 3 306.479 2.293 20 0 DEADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000357873708 404746899 /nfs/dbraw/zinc/74/68/99/404746899.db2.gz QKTJAEXJNSYVMU-OAGGEKHMSA-N 1 3 322.497 2.056 20 0 DEADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000357873708 404746901 /nfs/dbraw/zinc/74/69/01/404746901.db2.gz QKTJAEXJNSYVMU-OAGGEKHMSA-N 1 3 322.497 2.056 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)NC[C@@]2(C)CCC[NH2+]C2)c1 ZINC000414918561 404765452 /nfs/dbraw/zinc/76/54/52/404765452.db2.gz UVOBXLGGROBFIE-KSSFIOAISA-N 1 3 319.449 2.392 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@]2(C)CCCNC2)c1 ZINC000414918561 404765454 /nfs/dbraw/zinc/76/54/54/404765454.db2.gz UVOBXLGGROBFIE-KSSFIOAISA-N 1 3 319.449 2.392 20 0 DEADHO C[C@]1(C[NH2+]C2CCN(Cc3cccnc3)CC2)CCCNC1 ZINC000414920057 404766304 /nfs/dbraw/zinc/76/63/04/404766304.db2.gz YJYPHHDKKJCMKP-SFHVURJKSA-N 1 3 302.466 2.025 20 0 DEADHO C[C@@]1(C[NH2+]C2CCN(Cc3cccnc3)CC2)CCCNC1 ZINC000414920055 404766530 /nfs/dbraw/zinc/76/65/30/404766530.db2.gz YJYPHHDKKJCMKP-GOSISDBHSA-N 1 3 302.466 2.025 20 0 DEADHO CSC1(CNCc2cnn(CC(C)C)c2)CC[NH+](C)CC1 ZINC000353197590 404767653 /nfs/dbraw/zinc/76/76/53/404767653.db2.gz YQYPPNVOTNLXCJ-UHFFFAOYSA-N 1 3 310.511 2.456 20 0 DEADHO CC(C)C[C@H]([NH3+])CN1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000414684137 404708356 /nfs/dbraw/zinc/70/83/56/404708356.db2.gz CQGPSTXJNVXYBJ-JZXOWHBKSA-N 1 3 311.514 2.181 20 0 DEADHO C[N@@H+](Cc1cc2ccccc2o1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414704067 404711796 /nfs/dbraw/zinc/71/17/96/404711796.db2.gz KERLJZUNQMZFGS-CQSZACIVSA-N 1 3 315.417 2.062 20 0 DEADHO C[N@H+](Cc1cc2ccccc2o1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414704067 404711803 /nfs/dbraw/zinc/71/18/03/404711803.db2.gz KERLJZUNQMZFGS-CQSZACIVSA-N 1 3 315.417 2.062 20 0 DEADHO NCC(=O)N1CCC[C@H](C[NH2+]C2(c3ccccc3)CCCC2)C1 ZINC000414717410 404715863 /nfs/dbraw/zinc/71/58/63/404715863.db2.gz ZJAUTUVSVZYUEI-MRXNPFEDSA-N 1 3 315.461 2.243 20 0 DEADHO CCN(CC(=O)Nc1ccccc1OC)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414745441 404721758 /nfs/dbraw/zinc/72/17/58/404721758.db2.gz XWJCHTQNJFOXFY-CABCVRRESA-N 1 3 319.449 2.344 20 0 DEADHO COc1ccc2c(c1OC)CCN(C[C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC000414751303 404724454 /nfs/dbraw/zinc/72/44/54/404724454.db2.gz AEODGCDQHVCGJD-KBPBESRZSA-N 1 3 304.434 2.450 20 0 DEADHO C[C@H](Cc1c(Cl)cccc1Cl)NC[C@@H]1C[NH2+]CCN1C ZINC000414976820 404780421 /nfs/dbraw/zinc/78/04/21/404780421.db2.gz ORSHZXCRVJQTOA-NEPJUHHUSA-N 1 3 316.276 2.418 20 0 DEADHO COCC1(CNCc2cnc(C(F)(F)F)s2)CC[NH2+]CC1 ZINC000414977960 404780472 /nfs/dbraw/zinc/78/04/72/404780472.db2.gz ROOBXBGBOYOPQP-UHFFFAOYSA-N 1 3 323.384 2.268 20 0 DEADHO FC(F)(F)[C@H](CNCc1cccc(Cl)c1)N1CC[NH2+]CC1 ZINC000414991618 404782423 /nfs/dbraw/zinc/78/24/23/404782423.db2.gz SOHJNERPYVBEKN-ZDUSSCGKSA-N 1 3 321.774 2.266 20 0 DEADHO C[C@H](CCC[NH3+])NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000415021188 404789460 /nfs/dbraw/zinc/78/94/60/404789460.db2.gz KBWNCQCXINEEOA-SNVBAGLBSA-N 1 3 311.792 2.277 20 0 DEADHO C[C@H](CN(C)C)NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000353287243 404792400 /nfs/dbraw/zinc/79/24/00/404792400.db2.gz AYJPVNPAFCQGHT-CABCVRRESA-N 1 3 320.481 2.365 20 0 DEADHO [NH3+]C1CCC(N[C@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000415081931 404803180 /nfs/dbraw/zinc/80/31/80/404803180.db2.gz LJHFUKLKGZOIEP-YIZWMMSDSA-N 1 3 307.825 2.305 20 0 DEADHO NCC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000415104301 404808446 /nfs/dbraw/zinc/80/84/46/404808446.db2.gz LAOUQKDUDPYEDP-UKRRQHHQSA-N 1 3 319.474 2.010 20 0 DEADHO C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1ccc(Cl)cc1 ZINC000415116282 404810578 /nfs/dbraw/zinc/81/05/78/404810578.db2.gz FGOAIEJRSYMADW-CHWSQXEVSA-N 1 3 309.841 2.188 20 0 DEADHO [NH3+]Cc1cn([C@H]2CCCN(C/C=C\c3ccc(F)cc3)C2)nn1 ZINC000415124231 404813441 /nfs/dbraw/zinc/81/34/41/404813441.db2.gz KAEGICMRWBFHMF-MPXGXIRNSA-N 1 3 315.396 2.226 20 0 DEADHO NCc1cn([C@H]2CCC[N@H+](C/C=C\c3ccc(F)cc3)C2)nn1 ZINC000415124231 404813443 /nfs/dbraw/zinc/81/34/43/404813443.db2.gz KAEGICMRWBFHMF-MPXGXIRNSA-N 1 3 315.396 2.226 20 0 DEADHO NCc1cn([C@H]2CCC[N@@H+](C/C=C\c3ccc(F)cc3)C2)nn1 ZINC000415124231 404813444 /nfs/dbraw/zinc/81/34/44/404813444.db2.gz KAEGICMRWBFHMF-MPXGXIRNSA-N 1 3 315.396 2.226 20 0 DEADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000353427434 404828597 /nfs/dbraw/zinc/82/85/97/404828597.db2.gz LCQVKFYOISQAHY-CHWSQXEVSA-N 1 3 315.339 2.491 20 0 DEADHO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccccc1CCN(C)C ZINC000415554888 404882770 /nfs/dbraw/zinc/88/27/70/404882770.db2.gz BNWPGLUDSTWIHI-OAHLLOKOSA-N 1 3 304.438 2.006 20 0 DEADHO C[C@H]1CCN(C(=O)Nc2ccccc2CCN(C)C)C[C@@H]1C[NH3+] ZINC000415584851 404889495 /nfs/dbraw/zinc/88/94/95/404889495.db2.gz WWZWKESYEGZVTQ-HOCLYGCPSA-N 1 3 318.465 2.239 20 0 DEADHO C[C@H]([NH2+]C[C@@H](CO)C1CC1)c1ccc(OCCN(C)C)cc1 ZINC000353509038 404852307 /nfs/dbraw/zinc/85/23/07/404852307.db2.gz IMRIWZKJGOBEJC-YOEHRIQHSA-N 1 3 306.450 2.296 20 0 DEADHO CN(C[C@@H]1CCCN(C)C1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000360934455 404855948 /nfs/dbraw/zinc/85/59/48/404855948.db2.gz JVXQNUXIFUYNDP-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO CC[NH2+]Cc1cccc(NC(=O)NCCN(CC)C2CC2)c1 ZINC000415905819 404967423 /nfs/dbraw/zinc/96/74/23/404967423.db2.gz IYQOFZCNNDZEOK-UHFFFAOYSA-N 1 3 304.438 2.402 20 0 DEADHO CC(C)[C@H]([NH3+])CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000416781052 404907766 /nfs/dbraw/zinc/90/77/66/404907766.db2.gz DIXJFQRLXUYUQK-SJORKVTESA-N 1 3 318.465 2.106 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CC(=O)NCCN2CCCCCC2)C[C@@H](C)C1 ZINC000353673104 404914310 /nfs/dbraw/zinc/91/43/10/404914310.db2.gz RDNNMDLIEZDGFX-FVQHAEBGSA-N 1 3 309.498 2.393 20 0 DEADHO CCC[C@@H]1CNCCN1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000416799903 404916240 /nfs/dbraw/zinc/91/62/40/404916240.db2.gz DYUBSXDBXASFQH-SJORKVTESA-N 1 3 318.465 2.073 20 0 DEADHO CCC[C@@H]1CNCCN1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000416799903 404916243 /nfs/dbraw/zinc/91/62/43/404916243.db2.gz DYUBSXDBXASFQH-SJORKVTESA-N 1 3 318.465 2.073 20 0 DEADHO CC[NH2+][C@H](C)CNC(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000416836620 404928794 /nfs/dbraw/zinc/92/87/94/404928794.db2.gz GULZMAIYKAMNSK-NVXWUHKLSA-N 1 3 320.481 2.367 20 0 DEADHO C[NH2+]CCNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000416841582 404930251 /nfs/dbraw/zinc/93/02/51/404930251.db2.gz MIUDITARTVRERI-CQSZACIVSA-N 1 3 324.494 2.040 20 0 DEADHO C[NH+](C)C1(CNC(=O)N2CCNC(C)(C)C2)CCCCCC1 ZINC000416843471 404931963 /nfs/dbraw/zinc/93/19/63/404931963.db2.gz AJYSXHFTQTVYBG-UHFFFAOYSA-N 1 3 310.486 2.034 20 0 DEADHO CC1CCN([C@@H](CNC(=O)N(C)CC[NH3+])c2cccs2)CC1 ZINC000416851880 404935989 /nfs/dbraw/zinc/93/59/89/404935989.db2.gz RVROZLCZYWFRRG-AWEZNQCLSA-N 1 3 324.494 2.121 20 0 DEADHO C[C@H](CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)N1CCC[C@H](C)C1 ZINC000417018636 405004568 /nfs/dbraw/zinc/00/45/68/405004568.db2.gz PZJRAMCXEAOIIP-YVSFHVDLSA-N 1 3 324.513 2.171 20 0 DEADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000417027543 405008214 /nfs/dbraw/zinc/00/82/14/405008214.db2.gz ZXSKAWZXINTUSN-PMPSAXMXSA-N 1 3 312.502 2.122 20 0 DEADHO COCC1(CN2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)CCC1 ZINC000361289251 405008795 /nfs/dbraw/zinc/00/87/95/405008795.db2.gz PWWSDFQGALYQNJ-QZTJIDSGSA-N 1 3 323.525 2.294 20 0 DEADHO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000451504985 405008817 /nfs/dbraw/zinc/00/88/17/405008817.db2.gz UCXJXWUJURBVHG-YESZJQIVSA-N 1 3 311.514 2.052 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000379643559 405027334 /nfs/dbraw/zinc/02/73/34/405027334.db2.gz BHXJGAIYBJOWDX-KBAYOESNSA-N 1 3 315.461 2.013 20 0 DEADHO O=C(c1ccco1)N1CCC([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000361344265 405031481 /nfs/dbraw/zinc/03/14/81/405031481.db2.gz SKYPTXRKBDWHEO-CVEARBPZSA-N 1 3 317.433 2.101 20 0 DEADHO O=C(c1ccco1)N1CCC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000361344265 405031483 /nfs/dbraw/zinc/03/14/83/405031483.db2.gz SKYPTXRKBDWHEO-CVEARBPZSA-N 1 3 317.433 2.101 20 0 DEADHO O=C(c1ccco1)N1CCC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000361344265 405031487 /nfs/dbraw/zinc/03/14/87/405031487.db2.gz SKYPTXRKBDWHEO-CVEARBPZSA-N 1 3 317.433 2.101 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000382716643 405031902 /nfs/dbraw/zinc/03/19/02/405031902.db2.gz FJLJDZOYUXYRDX-AEFFLSMTSA-N 1 3 317.477 2.340 20 0 DEADHO C[NH2+]CCCN(C)C(=O)c1oc2ccccc2c1CN(C)C ZINC000424020488 404974286 /nfs/dbraw/zinc/97/42/86/404974286.db2.gz OYSDHDVWVJKNHY-UHFFFAOYSA-N 1 3 303.406 2.176 20 0 DEADHO CC[C@@H](C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)N(CC)CC ZINC000424046801 404983822 /nfs/dbraw/zinc/98/38/22/404983822.db2.gz WGVVDXANNBZLNS-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO O=C(Nc1ccc2c(c1)CNC2)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000415986062 404996232 /nfs/dbraw/zinc/99/62/32/404996232.db2.gz APMMHCVKKGWBRT-QGZVFWFLSA-N 1 3 314.433 2.382 20 0 DEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc3c(c2)CNC3)[C@H](C)C1 ZINC000415986066 404996971 /nfs/dbraw/zinc/99/69/71/404996971.db2.gz AQDGNNOIUWQTHZ-CXAGYDPISA-N 1 3 316.449 2.484 20 0 DEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc3c(c2)CNC3)[C@H](C)C1 ZINC000415986066 404996975 /nfs/dbraw/zinc/99/69/75/404996975.db2.gz AQDGNNOIUWQTHZ-CXAGYDPISA-N 1 3 316.449 2.484 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000389909685 405040874 /nfs/dbraw/zinc/04/08/74/405040874.db2.gz IMGUGNUVXBWGHJ-SUMDDJOVSA-N 1 3 315.461 2.155 20 0 DEADHO Cc1cccc(C)c1CN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436059553 405041075 /nfs/dbraw/zinc/04/10/75/405041075.db2.gz LDJCAQRMJCQTQW-MRXNPFEDSA-N 1 3 303.450 2.123 20 0 DEADHO COc1ccc([C@@H](C)NCC2(O)CC[NH+](C)CC2)c(Cl)c1 ZINC000424296415 405061894 /nfs/dbraw/zinc/06/18/94/405061894.db2.gz FUYUQOBYXVCBBU-GFCCVEGCSA-N 1 3 312.841 2.456 20 0 DEADHO [NH3+]C[C@@H](CN1CCC(c2ncc[nH]2)CC1)c1ccc(F)cc1 ZINC000424305221 405064715 /nfs/dbraw/zinc/06/47/15/405064715.db2.gz RTMSXRDYEFDNLD-HNNXBMFYSA-N 1 3 302.397 2.471 20 0 DEADHO NC[C@@H](C[NH+]1CCC(c2ncc[nH]2)CC1)c1ccc(F)cc1 ZINC000424305221 405064721 /nfs/dbraw/zinc/06/47/21/405064721.db2.gz RTMSXRDYEFDNLD-HNNXBMFYSA-N 1 3 302.397 2.471 20 0 DEADHO C[C@H](CNC(=O)N1CCCC[C@H]1[C@H](C)[NH3+])N1CCC(C)CC1 ZINC000417317846 405085617 /nfs/dbraw/zinc/08/56/17/405085617.db2.gz XMVKEWUKUASDAV-PMPSAXMXSA-N 1 3 310.486 2.018 20 0 DEADHO C[C@@H]1CCN(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)[C@@H](C[NH3+])C1 ZINC000417526842 405090390 /nfs/dbraw/zinc/09/03/90/405090390.db2.gz CQVOHEIMDOSFIS-LVQVYYBASA-N 1 3 310.486 2.018 20 0 DEADHO CCCCN(C)CCNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000417611595 405092170 /nfs/dbraw/zinc/09/21/70/405092170.db2.gz PLABXRHCCPKIND-INIZCTEOSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000361560639 405130346 /nfs/dbraw/zinc/13/03/46/405130346.db2.gz AMTNJWBVTDGRLU-BZUAXINKSA-N 1 3 310.486 2.033 20 0 DEADHO CN(C[C@H]1CCCN(C)C1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361502005 405103850 /nfs/dbraw/zinc/10/38/50/405103850.db2.gz UZHMUTYCVMTBIR-DLBZAZTESA-N 1 3 321.509 2.441 20 0 DEADHO CN(C[C@H]1CCCN(C)C1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361502005 405103855 /nfs/dbraw/zinc/10/38/55/405103855.db2.gz UZHMUTYCVMTBIR-DLBZAZTESA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+])c1ccco1 ZINC000424471982 405104602 /nfs/dbraw/zinc/10/46/02/405104602.db2.gz DSGLICWLTVVDEV-YJNKXOJESA-N 1 3 322.453 2.278 20 0 DEADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H](C)C[NH3+] ZINC000418023298 405108831 /nfs/dbraw/zinc/10/88/31/405108831.db2.gz BNTJTHWHTRJMSI-RDJZCZTQSA-N 1 3 320.481 2.037 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)NCC[C@H]1CC[NH2+]C1)c1ccco1 ZINC000418162313 405115133 /nfs/dbraw/zinc/11/51/33/405115133.db2.gz FWIAAHDOTZFKPL-RRFJBIMHSA-N 1 3 322.453 2.008 20 0 DEADHO C[C@@H](NC(=O)N(C)C1CC[NH2+]CC1)[C@@H](c1ccccc1)N(C)C ZINC000418182044 405116045 /nfs/dbraw/zinc/11/60/45/405116045.db2.gz LXFYVPMMCAXFRO-PBHICJAKSA-N 1 3 318.465 2.071 20 0 DEADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000361541718 405121929 /nfs/dbraw/zinc/12/19/29/405121929.db2.gz SBTFDJUZXRKOMH-HOTGVXAUSA-N 1 3 322.497 2.201 20 0 DEADHO CCN1CCC(NC(=O)C[N@H+](CC2CC2)CC2CCC2)CC1 ZINC000361566270 405134300 /nfs/dbraw/zinc/13/43/00/405134300.db2.gz RNMWFHCWHXMPMI-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO CCN1CCC(NC(=O)C[N@@H+](CC2CC2)CC2CCC2)CC1 ZINC000361566270 405134304 /nfs/dbraw/zinc/13/43/04/405134304.db2.gz RNMWFHCWHXMPMI-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)N(CC)CCC[NH+](C)C ZINC000418643124 405146601 /nfs/dbraw/zinc/14/66/01/405146601.db2.gz BDXXJGOCJRTEFH-KRWDZBQOSA-N 1 3 320.481 2.232 20 0 DEADHO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCC(C[NH+](C)C)CC1 ZINC000354389053 405188858 /nfs/dbraw/zinc/18/88/58/405188858.db2.gz OVBHWXJWESQKGN-BZUAXINKSA-N 1 3 309.498 2.153 20 0 DEADHO C[C@@H](CCC[NH3+])NC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000418704017 405173772 /nfs/dbraw/zinc/17/37/72/405173772.db2.gz MMGIQAFSTAUJJP-HNNXBMFYSA-N 1 3 312.502 2.267 20 0 DEADHO C[C@@H](CCC[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000418709535 405176124 /nfs/dbraw/zinc/17/61/24/405176124.db2.gz RLEFEDWMATXYET-AWEZNQCLSA-N 1 3 324.444 2.026 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CN1C1CC1 ZINC000440274977 405308473 /nfs/dbraw/zinc/30/84/73/405308473.db2.gz IWSDYRPVTMPJSM-CKEIUWERSA-N 1 3 305.466 2.135 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CN1C1CC1 ZINC000440274977 405308475 /nfs/dbraw/zinc/30/84/75/405308475.db2.gz IWSDYRPVTMPJSM-CKEIUWERSA-N 1 3 305.466 2.135 20 0 DEADHO CCOc1ccccc1NC(=O)CCN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420290988 405308514 /nfs/dbraw/zinc/30/85/14/405308514.db2.gz MUWOYITYPXFKQC-HUUCEWRRSA-N 1 3 319.449 2.473 20 0 DEADHO COC(=O)c1cc2cc(CN3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)ccc2o1 ZINC000420299715 405310720 /nfs/dbraw/zinc/31/07/20/405310720.db2.gz BLLZJFMEZPMKRT-AEGPPILISA-N 1 3 314.385 2.389 20 0 DEADHO O=C(CC1CCCC1)N1CCCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420302348 405311733 /nfs/dbraw/zinc/31/17/33/405311733.db2.gz JSKQQNVVXQLXOW-GOSISDBHSA-N 1 3 321.509 2.491 20 0 DEADHO CCOc1ccccc1NC(=O)CCN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000420308722 405313616 /nfs/dbraw/zinc/31/36/16/405313616.db2.gz NYRLHUKOKJHYDV-ZNMIVQPWSA-N 1 3 317.433 2.083 20 0 DEADHO C[C@@H](C(=O)N1CCc2ccccc2C1)N1CCC[C@@H](CC[NH3+])C1 ZINC000420311561 405314580 /nfs/dbraw/zinc/31/45/80/405314580.db2.gz NOQIHQSCNNMODW-HOTGVXAUSA-N 1 3 315.461 2.021 20 0 DEADHO C[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(C)C ZINC000454241392 405316171 /nfs/dbraw/zinc/31/61/71/405316171.db2.gz BWTUEEWMADFDBW-HNNXBMFYSA-N 1 3 318.465 2.032 20 0 DEADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N(C1CC1)C1CCCC1 ZINC000420322361 405318656 /nfs/dbraw/zinc/31/86/56/405318656.db2.gz DVDFBXMKIVPSNA-CVEARBPZSA-N 1 3 319.493 2.242 20 0 DEADHO CCOc1ccccc1NC(=O)CCN[C@](C)(C[NH3+])C(C)C ZINC000420322911 405319505 /nfs/dbraw/zinc/31/95/05/405319505.db2.gz SSMAQHVOINZRFD-QGZVFWFLSA-N 1 3 307.438 2.377 20 0 DEADHO CCOc1ccccc1NC(=O)CCN1CC[C@@](C)(C[NH3+])C1 ZINC000420322973 405319608 /nfs/dbraw/zinc/31/96/08/405319608.db2.gz XIKLMSLSCDDVBU-KRWDZBQOSA-N 1 3 305.422 2.085 20 0 DEADHO CCOc1ccccc1NC(=O)CC[N@@H+]1CC[C@@](C)(CN)C1 ZINC000420322973 405319609 /nfs/dbraw/zinc/31/96/09/405319609.db2.gz XIKLMSLSCDDVBU-KRWDZBQOSA-N 1 3 305.422 2.085 20 0 DEADHO CCOc1ccccc1NC(=O)CC[N@H+]1CC[C@@](C)(CN)C1 ZINC000420322973 405319610 /nfs/dbraw/zinc/31/96/10/405319610.db2.gz XIKLMSLSCDDVBU-KRWDZBQOSA-N 1 3 305.422 2.085 20 0 DEADHO COc1cccc([C@@H](C)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420327992 405320850 /nfs/dbraw/zinc/32/08/50/405320850.db2.gz MAICXYAEIKEMFS-ZBFHGGJFSA-N 1 3 304.434 2.444 20 0 DEADHO CC[C@@H]1CCCCN1C(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420333829 405323281 /nfs/dbraw/zinc/32/32/81/405323281.db2.gz FVGWWSCHOHXUGP-BRWVUGGUSA-N 1 3 307.482 2.099 20 0 DEADHO Cc1cccc(NC(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420343392 405326188 /nfs/dbraw/zinc/32/61/88/405326188.db2.gz QXSQGZTWDFLWKH-HZPDHXFCSA-N 1 3 301.434 2.255 20 0 DEADHO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420343186 405326334 /nfs/dbraw/zinc/32/63/34/405326334.db2.gz RKUJZBKSAOXAMF-BPKGMFCQSA-N 1 3 307.482 2.001 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@H](C)[NH+](C)C)C1 ZINC000454385605 405338736 /nfs/dbraw/zinc/33/87/36/405338736.db2.gz WZDDQBSPTVAJAM-ZMSDIMECSA-N 1 3 318.465 2.071 20 0 DEADHO C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420386567 405340195 /nfs/dbraw/zinc/34/01/95/405340195.db2.gz VAOBUIRRYYAEHN-BLLLJJGKSA-N 1 3 303.385 2.274 20 0 DEADHO C[C@H]1CCN(CCC(=O)NCc2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000420408497 405346119 /nfs/dbraw/zinc/34/61/19/405346119.db2.gz PEXJEGRTLCYWNN-ZFWWWQNUSA-N 1 3 323.868 2.263 20 0 DEADHO CC1(C)CCCN(CCNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000445267827 405351023 /nfs/dbraw/zinc/35/10/23/405351023.db2.gz RZYNONCMGPMFBW-HOTGVXAUSA-N 1 3 322.497 2.034 20 0 DEADHO CC1(C)CCCN(CCNC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000445267827 405351027 /nfs/dbraw/zinc/35/10/27/405351027.db2.gz RZYNONCMGPMFBW-HOTGVXAUSA-N 1 3 322.497 2.034 20 0 DEADHO CCOc1ccccc1NC(=O)CCN(C)C1CC[NH2+]CC1 ZINC000420279931 405306406 /nfs/dbraw/zinc/30/64/06/405306406.db2.gz XUJYOJIMLCTVBW-UHFFFAOYSA-N 1 3 305.422 2.098 20 0 DEADHO CCOc1ccccc1NC(=O)CC[N@H+](C)C1CCNCC1 ZINC000420279931 405306407 /nfs/dbraw/zinc/30/64/07/405306407.db2.gz XUJYOJIMLCTVBW-UHFFFAOYSA-N 1 3 305.422 2.098 20 0 DEADHO CCOc1ccccc1NC(=O)CC[N@@H+](C)C1CCNCC1 ZINC000420279931 405306408 /nfs/dbraw/zinc/30/64/08/405306408.db2.gz XUJYOJIMLCTVBW-UHFFFAOYSA-N 1 3 305.422 2.098 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCCN(CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000430559989 405457561 /nfs/dbraw/zinc/45/75/61/405457561.db2.gz VCDFBHZUQBHSIR-NWDGAFQWSA-N 1 3 311.376 2.353 20 0 DEADHO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N1CCC(C[NH3+])CC1 ZINC000430640112 405477178 /nfs/dbraw/zinc/47/71/78/405477178.db2.gz JSMJFTMEVZCTHY-QWHCGFSZSA-N 1 3 307.413 2.062 20 0 DEADHO CC[NH+]1CCC(N2CCCN(Cc3cccc(O)c3)CC2)CC1 ZINC000421369315 405478715 /nfs/dbraw/zinc/47/87/15/405478715.db2.gz HFJGRJIUWIGGHO-UHFFFAOYSA-N 1 3 317.477 2.384 20 0 DEADHO CC(C)[C@H]1CNCCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000638487760 405501151 /nfs/dbraw/zinc/50/11/51/405501151.db2.gz BETAEEWKIQFVNZ-GOSISDBHSA-N 1 3 315.461 2.352 20 0 DEADHO C[C@H](NC(=O)NC(C)(C)CN(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458635655 405516063 /nfs/dbraw/zinc/51/60/63/405516063.db2.gz QWKVMAONBUVSTD-GJZGRUSLSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@H](NC(=O)NC(C)(C)CN(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000458635655 405516067 /nfs/dbraw/zinc/51/60/67/405516067.db2.gz QWKVMAONBUVSTD-GJZGRUSLSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H](C[NH2+]CC1=CCN(C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449247997 405521877 /nfs/dbraw/zinc/52/18/77/405521877.db2.gz HDDHRMGKBCDVBB-AWEZNQCLSA-N 1 3 322.474 2.045 20 0 DEADHO CN(C)CCOc1cnccc1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000449331458 405523746 /nfs/dbraw/zinc/52/37/46/405523746.db2.gz YVIXOUMZTDLHAR-MRXNPFEDSA-N 1 3 319.449 2.213 20 0 DEADHO Cc1ccccc1CNC(=O)[C@H](C)N1CCC([C@@H](C)[NH3+])CC1 ZINC000430921162 405527807 /nfs/dbraw/zinc/52/78/07/405527807.db2.gz XHILATKIRFIHFY-CABCVRRESA-N 1 3 303.450 2.059 20 0 DEADHO C[C@H]([NH3+])C1CCN(CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000430935774 405535598 /nfs/dbraw/zinc/53/55/98/405535598.db2.gz RJHXESDFBASOPI-KBPBESRZSA-N 1 3 321.440 2.404 20 0 DEADHO C[NH2+]CC1CCN([C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)CC1 ZINC000430942622 405539621 /nfs/dbraw/zinc/53/96/21/405539621.db2.gz MLTXUGQIDRBKIZ-ZIAGYGMSSA-N 1 3 321.440 2.323 20 0 DEADHO Cc1ccccc1C[C@@H](C)NCc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000577947486 405542201 /nfs/dbraw/zinc/54/22/01/405542201.db2.gz HBERZDNOUUPTBZ-CQSZACIVSA-N 1 3 313.449 2.301 20 0 DEADHO NCc1cccc2c1N(C(=O)CC1C[C@H]3CC[C@@H](C1)[NH2+]3)CCC2 ZINC000638549098 405542805 /nfs/dbraw/zinc/54/28/05/405542805.db2.gz OYXGPVUTWNALCV-FUCXHRTASA-N 1 3 313.445 2.345 20 0 DEADHO C[C@@H]([NH3+])C1CCN([C@H](C)C(=O)NCc2ccccc2Cl)CC1 ZINC000430955885 405545856 /nfs/dbraw/zinc/54/58/56/405545856.db2.gz BHJDLVCZASWQFM-CHWSQXEVSA-N 1 3 323.868 2.404 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC000635848405 405551510 /nfs/dbraw/zinc/55/15/10/405551510.db2.gz DHEPERYKRFAXBK-WBVHZDCISA-N 1 3 317.477 2.444 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3CCC3)CC2)CC1 ZINC000557548065 405605194 /nfs/dbraw/zinc/60/51/94/405605194.db2.gz YHVJCXCYRNMWBE-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccco3)CC2)CC1 ZINC000557427441 405596039 /nfs/dbraw/zinc/59/60/39/405596039.db2.gz FABMEERODBIUNE-UHFFFAOYSA-N 1 3 319.449 2.092 20 0 DEADHO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000638735581 405641198 /nfs/dbraw/zinc/64/11/98/405641198.db2.gz PLZBSRWFPXGMPT-ZBFHGGJFSA-N 1 3 307.482 2.430 20 0 DEADHO Cc1ccc([C@H](CNC(=O)NC(C)(C)CC[NH3+])N(C)C)cc1 ZINC000422598757 405671934 /nfs/dbraw/zinc/67/19/34/405671934.db2.gz NXSQEUBXICLIJH-HNNXBMFYSA-N 1 3 306.454 2.024 20 0 DEADHO CC[NH+](CC)CC(=O)N(C)C1CCN(CCC(F)(F)F)CC1 ZINC000457062338 405675595 /nfs/dbraw/zinc/67/55/95/405675595.db2.gz AHUFXELBFZYPMS-UHFFFAOYSA-N 1 3 323.403 2.203 20 0 DEADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000422849944 405686282 /nfs/dbraw/zinc/68/62/82/405686282.db2.gz VHHMRTDDNSKREN-HZPDHXFCSA-N 1 3 311.539 2.455 20 0 DEADHO CC[NH+](CC)CCSCC(=O)Nc1ccc2c(c1)CNC2 ZINC000449673196 405681086 /nfs/dbraw/zinc/68/10/86/405681086.db2.gz OAFBBDLSECCGJA-UHFFFAOYSA-N 1 3 307.463 2.303 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@H]1NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000422784642 405681513 /nfs/dbraw/zinc/68/15/13/405681513.db2.gz IZDYLELTLNCERF-SUMWQHHRSA-N 1 3 302.397 2.271 20 0 DEADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422784642 405681519 /nfs/dbraw/zinc/68/15/19/405681519.db2.gz IZDYLELTLNCERF-SUMWQHHRSA-N 1 3 302.397 2.271 20 0 DEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCCOCC1CCOCC1 ZINC000422781109 405682188 /nfs/dbraw/zinc/68/21/88/405682188.db2.gz KKAOYEFNIIAKEE-LPHOPBHVSA-N 1 3 320.477 2.368 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000423017129 405694428 /nfs/dbraw/zinc/69/44/28/405694428.db2.gz OCXOCJSPTFSYLL-SJWGOKEGSA-N 1 3 301.434 2.457 20 0 DEADHO CCS(=O)(=O)c1cc(Cl)cc(CN[C@H](C)CCC[NH3+])c1 ZINC000423167221 405709677 /nfs/dbraw/zinc/70/96/77/405709677.db2.gz DVHVKMTUXBCMFI-LLVKDONJSA-N 1 3 318.870 2.351 20 0 DEADHO CCOC(=O)C1([C@@H](C)NCc2ccc(C)c(C)n2)CC[NH2+]CC1 ZINC000423166115 405708771 /nfs/dbraw/zinc/70/87/71/405708771.db2.gz CHFAUWUPQYZQMN-OAHLLOKOSA-N 1 3 319.449 2.109 20 0 DEADHO CN(CCN1CCCC1)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000449842945 405717607 /nfs/dbraw/zinc/71/76/07/405717607.db2.gz GASVWNDOQPAPPE-KRWDZBQOSA-N 1 3 307.482 2.338 20 0 DEADHO CN(CCN1CCCC1)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000449842945 405717616 /nfs/dbraw/zinc/71/76/16/405717616.db2.gz GASVWNDOQPAPPE-KRWDZBQOSA-N 1 3 307.482 2.338 20 0 DEADHO Cc1nc(C(C)(C)C)sc1[C@H](C)NCCN1CC[NH2+]CC1 ZINC000423212110 405724992 /nfs/dbraw/zinc/72/49/92/405724992.db2.gz ZSBALDYPZBDEHG-LBPRGKRZSA-N 1 3 310.511 2.305 20 0 DEADHO CN(C)c1ccccc1C[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000638871744 405730256 /nfs/dbraw/zinc/73/02/56/405730256.db2.gz XQCRCAMOMJJCAF-UHFFFAOYSA-N 1 3 305.466 2.078 20 0 DEADHO CC[C@H](CNC(=O)CC1(C[NH3+])CC1)N1CCc2ccccc2C1 ZINC000423326379 405762441 /nfs/dbraw/zinc/76/24/41/405762441.db2.gz MEQKMWNIYCSPFV-QGZVFWFLSA-N 1 3 315.461 2.069 20 0 DEADHO C[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccsc1 ZINC000423397966 405790117 /nfs/dbraw/zinc/79/01/17/405790117.db2.gz VGNNHLCKSUSYJN-ZYHUDNBSSA-N 1 3 307.385 2.235 20 0 DEADHO C[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)cc1 ZINC000423400966 405792601 /nfs/dbraw/zinc/79/26/01/405792601.db2.gz XMEMOWFRNHKFQO-RISCZKNCSA-N 1 3 319.346 2.312 20 0 DEADHO C[C@@H]([NH2+][C@@H](C)CN)c1ccc(F)c(I)c1 ZINC000423406319 405792714 /nfs/dbraw/zinc/79/27/14/405792714.db2.gz UQJOOVWMDJMWQV-JGVFFNPUSA-N 1 3 322.165 2.428 20 0 DEADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+]CCC2CCOCC2)C1 ZINC000638976797 405793769 /nfs/dbraw/zinc/79/37/69/405793769.db2.gz LUDYKTJNHPWADS-LJQANCHMSA-N 1 3 318.461 2.160 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CC1(C[NH3+])CC1 ZINC000423420466 405799251 /nfs/dbraw/zinc/79/92/51/405799251.db2.gz XEGLSAWHDVKRBF-WBVHZDCISA-N 1 3 315.461 2.142 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc(C[NH3+])cc3)C2)cc1 ZINC000639003487 405815435 /nfs/dbraw/zinc/81/54/35/405815435.db2.gz AMPWPBOHQHLIEL-LJQANCHMSA-N 1 3 323.440 2.458 20 0 DEADHO C[C@@H]1CCN[C@H](C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)C1 ZINC000423356789 405774487 /nfs/dbraw/zinc/77/44/87/405774487.db2.gz KPLIPXVNTQTUSI-TVFCKZIOSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CCN[C@H](C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)C1 ZINC000423356789 405774497 /nfs/dbraw/zinc/77/44/97/405774497.db2.gz KPLIPXVNTQTUSI-TVFCKZIOSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](CNC(=O)[C@H](C[NH3+])C(C)C)N1CCc2ccccc2C1 ZINC000433157543 405882588 /nfs/dbraw/zinc/88/25/88/405882588.db2.gz GMVUYDVQILAJKL-ZWKOTPCHSA-N 1 3 317.477 2.170 20 0 DEADHO CN1CC=C(C[NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000495367339 405883740 /nfs/dbraw/zinc/88/37/40/405883740.db2.gz OWQKSQZCUOMFMJ-LSDHHAIUSA-N 1 3 309.454 2.284 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CN1C1CC1 ZINC000531007505 405894196 /nfs/dbraw/zinc/89/41/96/405894196.db2.gz CSFIFQXMIXKBBM-HUUCEWRRSA-N 1 3 322.497 2.127 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CN1C1CC1 ZINC000531007505 405894203 /nfs/dbraw/zinc/89/42/03/405894203.db2.gz CSFIFQXMIXKBBM-HUUCEWRRSA-N 1 3 322.497 2.127 20 0 DEADHO C[C@H]([NH3+])c1ccc(C(=O)Nc2ccc3c(c2)CNCCO3)cc1 ZINC000423651175 405894281 /nfs/dbraw/zinc/89/42/81/405894281.db2.gz ODQOXIAVKYFCOC-LBPRGKRZSA-N 1 3 311.385 2.441 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC000636327918 405896696 /nfs/dbraw/zinc/89/66/96/405896696.db2.gz BEHYHFOGFDYVHE-ROUUACIJSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC000636327918 405896703 /nfs/dbraw/zinc/89/67/03/405896703.db2.gz BEHYHFOGFDYVHE-ROUUACIJSA-N 1 3 315.461 2.027 20 0 DEADHO O=C(C1C[NH+](C2CCCCC2)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000457561430 405897905 /nfs/dbraw/zinc/89/79/05/405897905.db2.gz ZVEUYEVCXUPSET-SFHVURJKSA-N 1 3 319.493 2.338 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000423734720 405934294 /nfs/dbraw/zinc/93/42/94/405934294.db2.gz BHIZEYNPWBQOMY-ROUUACIJSA-N 1 3 317.477 2.485 20 0 DEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)CC1CC[NH2+]CC1 ZINC000423738106 405937292 /nfs/dbraw/zinc/93/72/92/405937292.db2.gz BPRAGZCYVKTBPE-UHFFFAOYSA-N 1 3 321.440 2.106 20 0 DEADHO C[C@@H](C(=O)N(CCN(C)C)Cc1cccc(Cl)c1)C1C[NH2+]C1 ZINC000423747726 405942624 /nfs/dbraw/zinc/94/26/24/405942624.db2.gz PPZIYSBJBCXTGG-CYBMUJFWSA-N 1 3 323.868 2.086 20 0 DEADHO C[C@@H](CNC(=O)CCCC[NH+](C)C)N(C)Cc1ccccc1 ZINC000562117777 405962747 /nfs/dbraw/zinc/96/27/47/405962747.db2.gz FPDZAYHFYXPWEN-INIZCTEOSA-N 1 3 305.466 2.355 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cccc(N2CCOC2=O)c1 ZINC000497142180 406016287 /nfs/dbraw/zinc/01/62/87/406016287.db2.gz FLQIPODGBFIBRC-ZBFHGGJFSA-N 1 3 303.406 2.250 20 0 DEADHO COc1cc(CNCC[C@@H]2CCC[N@H+](C)C2)cc2c1OCO2 ZINC000459722826 406019547 /nfs/dbraw/zinc/01/95/47/406019547.db2.gz CBMBQSJGCUHUBG-ZDUSSCGKSA-N 1 3 306.406 2.245 20 0 DEADHO COc1cc(CNCC[C@@H]2CCC[N@@H+](C)C2)cc2c1OCO2 ZINC000459722826 406019552 /nfs/dbraw/zinc/01/95/52/406019552.db2.gz CBMBQSJGCUHUBG-ZDUSSCGKSA-N 1 3 306.406 2.245 20 0 DEADHO CC1(C)CC([NH2+]C2CCN(c3cnccn3)CC2)CC(C)(C)N1 ZINC000531931848 406025787 /nfs/dbraw/zinc/02/57/87/406025787.db2.gz UUSPCYKYXYCLJH-UHFFFAOYSA-N 1 3 317.481 2.344 20 0 DEADHO C[C@@H](CC(=O)N(C)c1ccccc1)NCC[N@@H+]1CC[C@H](C)C1 ZINC000531984697 406030768 /nfs/dbraw/zinc/03/07/68/406030768.db2.gz QSQBHVYWOGQXPK-HOTGVXAUSA-N 1 3 303.450 2.359 20 0 DEADHO C[C@@H](CC(=O)N(C)c1ccccc1)NCC[N@H+]1CC[C@H](C)C1 ZINC000531984697 406030774 /nfs/dbraw/zinc/03/07/74/406030774.db2.gz QSQBHVYWOGQXPK-HOTGVXAUSA-N 1 3 303.450 2.359 20 0 DEADHO CC(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000423800337 405977282 /nfs/dbraw/zinc/97/72/82/405977282.db2.gz LKIMCNZTNQBGQW-YVSFHVDLSA-N 1 3 307.482 2.144 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000462002255 406082465 /nfs/dbraw/zinc/08/24/65/406082465.db2.gz LDSWWWZJIJKEHL-XHSDSOJGSA-N 1 3 312.502 2.088 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000462002255 406082475 /nfs/dbraw/zinc/08/24/75/406082475.db2.gz LDSWWWZJIJKEHL-XHSDSOJGSA-N 1 3 312.502 2.088 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccsc1 ZINC000518891729 406164125 /nfs/dbraw/zinc/16/41/25/406164125.db2.gz BWTAMGAKBZBDOZ-DZGCQCFKSA-N 1 3 309.479 2.199 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccsc1 ZINC000518891729 406164130 /nfs/dbraw/zinc/16/41/30/406164130.db2.gz BWTAMGAKBZBDOZ-DZGCQCFKSA-N 1 3 309.479 2.199 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000518371034 406137060 /nfs/dbraw/zinc/13/70/60/406137060.db2.gz LMBQUVRWQLIJTR-MPTYRVRUSA-N 1 3 318.465 2.247 20 0 DEADHO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCOCCN(C)C)c(C)c1 ZINC000472616602 406140881 /nfs/dbraw/zinc/14/08/81/406140881.db2.gz MNHQRIJJXGYQPS-MRXNPFEDSA-N 1 3 321.465 2.188 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNCCC(N)=O)cc2)C1 ZINC000518568456 406148325 /nfs/dbraw/zinc/14/83/25/406148325.db2.gz OYIMCLFYPZDTGZ-GASCZTMLSA-N 1 3 303.450 2.130 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNCCC(N)=O)cc2)C1 ZINC000518568456 406148328 /nfs/dbraw/zinc/14/83/28/406148328.db2.gz OYIMCLFYPZDTGZ-GASCZTMLSA-N 1 3 303.450 2.130 20 0 DEADHO Cc1c[nH+]ccc1N[C@@H](C)CN1CCN(c2ccccc2)CC1 ZINC000480015383 406171716 /nfs/dbraw/zinc/17/17/16/406171716.db2.gz LZLQJFBQUPNHRM-KRWDZBQOSA-N 1 3 310.445 2.435 20 0 DEADHO COc1cc(OC)c(CCN[C@H]2CCC[C@H]([NH3+])C2)c(OC)c1 ZINC000519424879 406199648 /nfs/dbraw/zinc/19/96/48/406199648.db2.gz DUEKWNIPXPPMON-STQMWFEESA-N 1 3 308.422 2.114 20 0 DEADHO CC(C)O[C@@H]1CCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639697895 406210734 /nfs/dbraw/zinc/21/07/34/406210734.db2.gz IHIPWCXHKYVOAJ-MOPGFXCFSA-N 1 3 318.461 2.123 20 0 DEADHO CC(C)O[C@@H]1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639697895 406210737 /nfs/dbraw/zinc/21/07/37/406210737.db2.gz IHIPWCXHKYVOAJ-MOPGFXCFSA-N 1 3 318.461 2.123 20 0 DEADHO C[C@H](C(=O)NC1CCC(C)CC1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639759579 406238182 /nfs/dbraw/zinc/23/81/82/406238182.db2.gz BWVMASRVNSKWDU-AQFXKWCLSA-N 1 3 321.509 2.488 20 0 DEADHO CC1CCC(N(C)C(=O)CN2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC000639764720 406240909 /nfs/dbraw/zinc/24/09/09/406240909.db2.gz WVKOVZJHMHODLM-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000519923721 406268161 /nfs/dbraw/zinc/26/81/61/406268161.db2.gz JKURKVDOWNBUEV-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000519923721 406268163 /nfs/dbraw/zinc/26/81/63/406268163.db2.gz JKURKVDOWNBUEV-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO CCN(CC[NH+]1CCCCCC1)C(=O)CC1CCN(C)CC1 ZINC000488486918 406324080 /nfs/dbraw/zinc/32/40/80/406324080.db2.gz MFPHSSSEWRDPEG-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000488562700 406330769 /nfs/dbraw/zinc/33/07/69/406330769.db2.gz SGGFWSMTVGULQC-JKSUJKDBSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H]1CC2(CN1Cc1cnc(N3CCCC3)nc1)CC[NH2+]CC2 ZINC000570154197 406352358 /nfs/dbraw/zinc/35/23/58/406352358.db2.gz GCGBANNDAKGPEW-HNNXBMFYSA-N 1 3 315.465 2.041 20 0 DEADHO CC[NH2+]CCCNC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000520548678 406300448 /nfs/dbraw/zinc/30/04/48/406300448.db2.gz HHZPCNHMLWPXDA-MRXNPFEDSA-N 1 3 306.454 2.109 20 0 DEADHO C[C@H](CC[NH2+]C[C@@H](O)COCc1ccccc1)N1CCCCC1 ZINC000569838974 406310503 /nfs/dbraw/zinc/31/05/03/406310503.db2.gz YFYVWJAHWIICBL-IEBWSBKVSA-N 1 3 320.477 2.418 20 0 DEADHO C[C@H](C[N@@H+]1CC[C@H](n2cc(CN)nn2)C1)c1cccc(Cl)c1 ZINC000635000012 406393840 /nfs/dbraw/zinc/39/38/40/406393840.db2.gz FGAUBBHZEWUIFH-WBMJQRKESA-N 1 3 319.840 2.441 20 0 DEADHO C[C@H](C[N@H+]1CC[C@H](n2cc(CN)nn2)C1)c1cccc(Cl)c1 ZINC000635000012 406393843 /nfs/dbraw/zinc/39/38/43/406393843.db2.gz FGAUBBHZEWUIFH-WBMJQRKESA-N 1 3 319.840 2.441 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H](C3CCC3)CC2)C1 ZINC000635002752 406395140 /nfs/dbraw/zinc/39/51/40/406395140.db2.gz YUZDVKOCAUKZOU-DOTOQJQBSA-N 1 3 307.482 2.086 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H](C3CCC3)CC2)C1 ZINC000635002752 406395145 /nfs/dbraw/zinc/39/51/45/406395145.db2.gz YUZDVKOCAUKZOU-DOTOQJQBSA-N 1 3 307.482 2.086 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccnc(N2CCSCC2)c1 ZINC000635007117 406397600 /nfs/dbraw/zinc/39/76/00/406397600.db2.gz FARUZFFCIWXHMG-JKSUJKDBSA-N 1 3 320.506 2.242 20 0 DEADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccnc(N2CCSCC2)c1 ZINC000635009932 406398472 /nfs/dbraw/zinc/39/84/72/406398472.db2.gz PFDMDGNOYUULDJ-HOTGVXAUSA-N 1 3 320.506 2.384 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000523218652 406419593 /nfs/dbraw/zinc/41/95/93/406419593.db2.gz RENAIKHLXSNMRM-IAGOWNOFSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000523218652 406419596 /nfs/dbraw/zinc/41/95/96/406419596.db2.gz RENAIKHLXSNMRM-IAGOWNOFSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)O[C@H]1C[C@@H]([NH2+]CCCCN2CCN(C)CC2)C1(C)C ZINC000546614234 406366134 /nfs/dbraw/zinc/36/61/34/406366134.db2.gz LXWLJAJCFBWUCL-SJORKVTESA-N 1 3 311.514 2.196 20 0 DEADHO CC[NH2+][C@@H](C)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000638070039 406554441 /nfs/dbraw/zinc/55/44/41/406554441.db2.gz OQWBOLMVZBRKID-DOTOQJQBSA-N 1 3 303.450 2.328 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638287182 406673456 /nfs/dbraw/zinc/67/34/56/406673456.db2.gz UEEFUFMCPTVNRI-CRAIPNDOSA-N 1 3 313.445 2.157 20 0 DEADHO CC(C)CC[C@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000638311433 406690974 /nfs/dbraw/zinc/69/09/74/406690974.db2.gz WDGYKUHDKBCKSH-PVAVHDDUSA-N 1 3 307.482 2.225 20 0 DEADHO CC(C)CC[C@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000638311433 406690986 /nfs/dbraw/zinc/69/09/86/406690986.db2.gz WDGYKUHDKBCKSH-PVAVHDDUSA-N 1 3 307.482 2.225 20 0 DEADHO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000638369834 406731128 /nfs/dbraw/zinc/73/11/28/406731128.db2.gz GIBMOOYPEUTVTJ-YYIAUSFCSA-N 1 3 309.498 2.391 20 0 DEADHO C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000527799670 406753936 /nfs/dbraw/zinc/75/39/36/406753936.db2.gz LCBYSUNUAVWGDL-RDJZCZTQSA-N 1 3 322.497 2.034 20 0 DEADHO C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000527799670 406753941 /nfs/dbraw/zinc/75/39/41/406753941.db2.gz LCBYSUNUAVWGDL-RDJZCZTQSA-N 1 3 322.497 2.034 20 0 DEADHO C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000527799667 406754684 /nfs/dbraw/zinc/75/46/84/406754684.db2.gz LCBYSUNUAVWGDL-NVXWUHKLSA-N 1 3 322.497 2.034 20 0 DEADHO C[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000527799667 406754687 /nfs/dbraw/zinc/75/46/87/406754687.db2.gz LCBYSUNUAVWGDL-NVXWUHKLSA-N 1 3 322.497 2.034 20 0 DEADHO c1ccc(CCC[C@@H]2CCC[N@@H+]2CCN2CCNCC2)cc1 ZINC000572888523 406759353 /nfs/dbraw/zinc/75/93/53/406759353.db2.gz VHTBLMWWOCRMRG-LJQANCHMSA-N 1 3 301.478 2.379 20 0 DEADHO c1ccc(CCC[C@@H]2CCC[N@H+]2CCN2CCNCC2)cc1 ZINC000572888523 406759358 /nfs/dbraw/zinc/75/93/58/406759358.db2.gz VHTBLMWWOCRMRG-LJQANCHMSA-N 1 3 301.478 2.379 20 0 DEADHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000527815418 406760771 /nfs/dbraw/zinc/76/07/71/406760771.db2.gz LPKMCVWNZWOYJB-DJIMGWMZSA-N 1 3 322.497 2.031 20 0 DEADHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000527815418 406760776 /nfs/dbraw/zinc/76/07/76/406760776.db2.gz LPKMCVWNZWOYJB-DJIMGWMZSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCN2C2CCCCC2)CC[N@@H+]1C ZINC000527813455 406760906 /nfs/dbraw/zinc/76/09/06/406760906.db2.gz ZSJLCYYONVPXNN-BFYDXBDKSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCN2C2CCCCC2)CC[N@H+]1C ZINC000527813455 406760912 /nfs/dbraw/zinc/76/09/12/406760912.db2.gz ZSJLCYYONVPXNN-BFYDXBDKSA-N 1 3 322.497 2.175 20 0 DEADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)/C=C\C[NH+](C)C ZINC000491891196 406765592 /nfs/dbraw/zinc/76/55/92/406765592.db2.gz YQYPAAQFYMQTRA-TWGQIWQCSA-N 1 3 323.868 2.348 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)/C=C\C[NH+](C)C)N2CCCC2)cc1 ZINC000491889978 406765800 /nfs/dbraw/zinc/76/58/00/406765800.db2.gz XDBCFGJWRIFZAO-HPFMTEOYSA-N 1 3 315.461 2.366 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CC3(C[C@H]2C)CCOCC3)CC1 ZINC000646096426 406778014 /nfs/dbraw/zinc/77/80/14/406778014.db2.gz HINBXHZCEYLIOM-GOSISDBHSA-N 1 3 323.525 2.294 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CC3(C[C@H]2C)CCOCC3)CC1 ZINC000646096426 406778015 /nfs/dbraw/zinc/77/80/15/406778015.db2.gz HINBXHZCEYLIOM-GOSISDBHSA-N 1 3 323.525 2.294 20 0 DEADHO COCCn1cc2c(n1)[C@@H](NC1CCC(C[NH3+])CC1)CCC2 ZINC000569349944 292407884 /nfs/dbraw/zinc/40/78/84/292407884.db2.gz GBYCXJYFPXSOIV-BCLQGDPASA-N 1 3 306.454 2.014 20 0 DEADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000646211552 406817302 /nfs/dbraw/zinc/81/73/02/406817302.db2.gz NLCHIRWAXDZISN-HZPDHXFCSA-N 1 3 318.465 2.030 20 0 DEADHO CCN(C(=O)NC[C@H](C)[NH3+])[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000641505925 406828499 /nfs/dbraw/zinc/82/84/99/406828499.db2.gz PFODUTJTZJLLEV-ZMSDIMECSA-N 1 3 318.465 2.201 20 0 DEADHO CC1(C)CN[C@H]1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000646262975 406830174 /nfs/dbraw/zinc/83/01/74/406830174.db2.gz FYQLSJZVRXPXBO-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO O=C(NC[C@H]1CCCC[NH2+]1)C1CCN(Cc2ccccc2)CC1 ZINC000646651235 406889314 /nfs/dbraw/zinc/88/93/14/406889314.db2.gz VDWSOYGQBKDPID-GOSISDBHSA-N 1 3 315.461 2.157 20 0 DEADHO [NH3+]C[C@@H]1CN(C[C@H]2CCC3(CCCC3)O2)CC12CCOCC2 ZINC000641798646 406894832 /nfs/dbraw/zinc/89/48/32/406894832.db2.gz KMWYCPWGSWMKLI-HZPDHXFCSA-N 1 3 308.466 2.166 20 0 DEADHO CN1C[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000647177612 406965781 /nfs/dbraw/zinc/96/57/81/406965781.db2.gz GMTVIVRUQJXBAO-DLBZAZTESA-N 1 3 313.445 2.004 20 0 DEADHO CN1C[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000647177612 406965784 /nfs/dbraw/zinc/96/57/84/406965784.db2.gz GMTVIVRUQJXBAO-DLBZAZTESA-N 1 3 313.445 2.004 20 0 DEADHO C[C@H](NC[C@@H]1CCCC[NH2+]1)c1ccc(OCCN(C)C)cc1 ZINC000643501750 407009041 /nfs/dbraw/zinc/00/90/41/407009041.db2.gz PGGJTLKMWHSKMQ-RDJZCZTQSA-N 1 3 305.466 2.420 20 0 DEADHO Cc1ccc([C@@H](CCn2cncn2)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000643522108 407010934 /nfs/dbraw/zinc/01/09/34/407010934.db2.gz HYNSTEVDQDIMLA-QZTJIDSGSA-N 1 3 313.449 2.450 20 0 DEADHO NC[C@@H]1C[N@H+](C[C@H]2CCOc3ccccc32)CC12CCOCC2 ZINC000647545439 407017517 /nfs/dbraw/zinc/01/75/17/407017517.db2.gz HPGDNOIOWDKNQD-HZPDHXFCSA-N 1 3 316.445 2.240 20 0 DEADHO NC[C@@H]1C[N@@H+](C[C@H]2CCOc3ccccc32)CC12CCOCC2 ZINC000647545439 407017519 /nfs/dbraw/zinc/01/75/19/407017519.db2.gz HPGDNOIOWDKNQD-HZPDHXFCSA-N 1 3 316.445 2.240 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000647343700 406989076 /nfs/dbraw/zinc/98/90/76/406989076.db2.gz AJORDTCQLFCNKH-WSTLGDPDSA-N 1 3 313.489 2.404 20 0 DEADHO CCOc1ccc2c(c1)[C@H](N[C@H](CCC[NH3+])COC)CCO2 ZINC000643482534 407005495 /nfs/dbraw/zinc/00/54/95/407005495.db2.gz ZKYYNZYHPSWVCK-CZUORRHYSA-N 1 3 308.422 2.252 20 0 DEADHO c1ncn(-c2ccccc2CN2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000647483204 407006284 /nfs/dbraw/zinc/00/62/84/407006284.db2.gz BSAHYBVIHWQWAE-QGZVFWFLSA-N 1 3 311.433 2.231 20 0 DEADHO C[NH2+][C@H]1CCCN(Cc2ccc(OCCN3CCCC3)cc2)C1 ZINC000647491500 407006909 /nfs/dbraw/zinc/00/69/09/407006909.db2.gz XFMNZUWTYPQYSJ-SFHVURJKSA-N 1 3 317.477 2.345 20 0 DEADHO CC[C@@H]1CN(Cc2ccc(OCCN(C)C)cc2)CC[C@@H]1[NH3+] ZINC000647498648 407007943 /nfs/dbraw/zinc/00/79/43/407007943.db2.gz LXJNYZRWDUPCBU-AEFFLSMTSA-N 1 3 305.466 2.186 20 0 DEADHO CCNCCC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000643498809 407008094 /nfs/dbraw/zinc/00/80/94/407008094.db2.gz CDRPZIPAILIXBV-UHFFFAOYSA-N 1 3 301.434 2.408 20 0 DEADHO CC[NH2+]CCCNC1CCC2(CC1)c1ccccc1NC2=O ZINC000643498809 407008097 /nfs/dbraw/zinc/00/80/97/407008097.db2.gz CDRPZIPAILIXBV-UHFFFAOYSA-N 1 3 301.434 2.408 20 0 DEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCCCN1 ZINC000643501621 407008295 /nfs/dbraw/zinc/00/82/95/407008295.db2.gz MJSRRLYIHMYLML-NUJGCVRESA-N 1 3 302.466 2.024 20 0 DEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC[C@H]1CCCC[NH2+]1 ZINC000643501621 407008296 /nfs/dbraw/zinc/00/82/96/407008296.db2.gz MJSRRLYIHMYLML-NUJGCVRESA-N 1 3 302.466 2.024 20 0 DEADHO C[C@H]1CCCN(Cc2ccc(OCCN(C)C)cc2)[C@@H]1C[NH3+] ZINC000647496751 407008397 /nfs/dbraw/zinc/00/83/97/407008397.db2.gz NZPDUCIYNDRJCY-MAUKXSAKSA-N 1 3 305.466 2.186 20 0 DEADHO CN(C(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)C1CCCCC1 ZINC000647975245 407091756 /nfs/dbraw/zinc/09/17/56/407091756.db2.gz RZTIAUBEWBZLQF-IAGOWNOFSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@@H]1CN(CCC(=O)N2CCc3ccccc32)CC[C@@H]1[NH3+] ZINC000647938451 407079945 /nfs/dbraw/zinc/07/99/45/407079945.db2.gz NKBJQDOLDIJADR-ZBFHGGJFSA-N 1 3 301.434 2.025 20 0 DEADHO CC[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)CCO1 ZINC000648510657 407190728 /nfs/dbraw/zinc/19/07/28/407190728.db2.gz FZMMCZMSEXGUOU-GBESFXJTSA-N 1 3 318.461 2.300 20 0 DEADHO CN(C)CCN(CCCc1ccccc1)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000648151541 407127048 /nfs/dbraw/zinc/12/70/48/407127048.db2.gz PKLJOHULLJYEQY-QGZVFWFLSA-N 1 3 317.477 2.007 20 0 DEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)CCC(C)(C)[NH3+])CC1 ZINC000648165595 407130045 /nfs/dbraw/zinc/13/00/45/407130045.db2.gz QJVNXDXYELHSRO-AWEZNQCLSA-N 1 3 318.465 2.241 20 0 DEADHO CCCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@H]1CCN(C)C1 ZINC000645354208 407267997 /nfs/dbraw/zinc/26/79/97/407267997.db2.gz QDEQAQLLPKDIKW-GJZGRUSLSA-N 1 3 312.502 2.088 20 0 DEADHO CCCN(C(=O)NCC[C@H](C)[NH+]1CCCCC1)[C@@H]1CCN(C)C1 ZINC000645427652 407277213 /nfs/dbraw/zinc/27/72/13/407277213.db2.gz MOTQERFBRGGYJM-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO Cc1ccccc1CN1CCCN(C(=O)CC2(C[NH3+])CC2)CC1 ZINC000645473547 407283074 /nfs/dbraw/zinc/28/30/74/407283074.db2.gz SULMKDQITICTEF-UHFFFAOYSA-N 1 3 315.461 2.158 20 0 DEADHO CC(C)C[C@@H](N)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000645477619 407283740 /nfs/dbraw/zinc/28/37/40/407283740.db2.gz YVDPXCYRIGSRQT-GOSISDBHSA-N 1 3 317.477 2.183 20 0 DEADHO C[C@@H](C[NH3+])NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000416830404 286827636 /nfs/dbraw/zinc/82/76/36/286827636.db2.gz GWTWTAFYVMTSMN-UONOGXRCSA-N 1 3 324.494 2.168 20 0 DEADHO CC[NH2+]CCCNC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000569911224 292450846 /nfs/dbraw/zinc/45/08/46/292450846.db2.gz LCSMMXFJOVYSHS-QGZVFWFLSA-N 1 3 320.481 2.151 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)c1ccccc1CC[NH3+] ZINC000571341497 292543569 /nfs/dbraw/zinc/54/35/69/292543569.db2.gz OSWFEWBFGKSJKG-SFHVURJKSA-N 1 3 311.429 2.180 20 0 DEADHO C[C@H](CN[C@H]1CCN(C(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC000130862167 196117379 /nfs/dbraw/zinc/11/73/79/196117379.db2.gz KNMCBJRETBBOLM-CABCVRRESA-N 1 3 311.470 2.317 20 0 DEADHO C[C@H](C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)CN1CCCC1 ZINC000130862167 196117380 /nfs/dbraw/zinc/11/73/80/196117380.db2.gz KNMCBJRETBBOLM-CABCVRRESA-N 1 3 311.470 2.317 20 0 DEADHO CC[N@@H+]1CC[C@@H](NCCNC(=O)c2ccc(C)cc2)[C@H](C)C1 ZINC000131851332 196203607 /nfs/dbraw/zinc/20/36/07/196203607.db2.gz XBAKVEZBCDIWPR-NVXWUHKLSA-N 1 3 303.450 2.045 20 0 DEADHO CC[N@H+]1CC[C@@H](NCCNC(=O)c2ccc(C)cc2)[C@H](C)C1 ZINC000131851332 196203609 /nfs/dbraw/zinc/20/36/09/196203609.db2.gz XBAKVEZBCDIWPR-NVXWUHKLSA-N 1 3 303.450 2.045 20 0 DEADHO COCC[C@H](C)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000132793646 196283957 /nfs/dbraw/zinc/28/39/57/196283957.db2.gz WMQIRAAUHHACSJ-HNNXBMFYSA-N 1 3 306.450 2.158 20 0 DEADHO Cc1nccnc1[C@@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000187881850 225001805 /nfs/dbraw/zinc/00/18/05/225001805.db2.gz DMCPZWIVIFPMBA-QLFBSQMISA-N 1 3 306.454 2.325 20 0 DEADHO C[C@H](C[C@H]1COCCN1)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000572392393 292616162 /nfs/dbraw/zinc/61/61/62/292616162.db2.gz FBJBUHQPEYTKPH-MDASCCDHSA-N 1 3 313.445 2.196 20 0 DEADHO C[C@@H]1CCC[C@](CNC(=O)N2CCC[C@@H](N(C)C)C2)([NH+](C)C)C1 ZINC000246390034 287499755 /nfs/dbraw/zinc/49/97/55/287499755.db2.gz IMSRKYLWAHDOKQ-NUJGCVRESA-N 1 3 324.513 2.233 20 0 DEADHO N[C@@H](CNC(=O)NCCCCC[NH+]1CCCC1)c1ccccc1 ZINC000418223641 229275367 /nfs/dbraw/zinc/27/53/67/229275367.db2.gz XWCBYNYGXLCHGB-KRWDZBQOSA-N 1 3 318.465 2.252 20 0 DEADHO O=C(NCC[C@H]1CCC[NH2+]C1)N1CCC[C@H]1CN1CCCCC1 ZINC000418342974 229316678 /nfs/dbraw/zinc/31/66/78/229316678.db2.gz JCIITALZHQDMIY-SJORKVTESA-N 1 3 322.497 2.036 20 0 DEADHO C[C@@]1(CNC(=O)N2CCC[C@@H]2CN2CCCCC2)CCC[NH2+]C1 ZINC000418541099 229382690 /nfs/dbraw/zinc/38/26/90/229382690.db2.gz NCONVHVMSHFXLU-SJLPKXTDSA-N 1 3 322.497 2.036 20 0 DEADHO Cc1cc(C)n(CCCN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])n1 ZINC000422768716 230201057 /nfs/dbraw/zinc/20/10/57/230201057.db2.gz ZQPQPFGCUUURSD-SJLPKXTDSA-N 1 3 300.450 2.438 20 0 DEADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Oc1ccccc1F ZINC000422790224 230211597 /nfs/dbraw/zinc/21/15/97/230211597.db2.gz PJCUYWIIYPGXCK-MUIFIZLQSA-N 1 3 322.424 2.340 20 0 DEADHO Cc1ccc([C@H](C[NH2+][C@H]2CCCCC[C@H]2N)N2CCOCC2)o1 ZINC000422798790 230214410 /nfs/dbraw/zinc/21/44/10/230214410.db2.gz SVZMYNLIBYTIGB-IKGGRYGDSA-N 1 3 321.465 2.211 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(OC(F)(F)F)cc1 ZINC000422799801 230216314 /nfs/dbraw/zinc/21/63/14/230216314.db2.gz YMPBDYLUZBKGHJ-ZLKJLUDKSA-N 1 3 318.339 2.427 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000422896108 230265523 /nfs/dbraw/zinc/26/55/23/230265523.db2.gz HHNGAAXGXOEMBB-DMDPSCGWSA-N 1 3 320.355 2.161 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000422897050 230268310 /nfs/dbraw/zinc/26/83/10/230268310.db2.gz BFHDPHZTLAFHMN-LOWVWBTDSA-N 1 3 320.355 2.161 20 0 DEADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)COc1ccc(F)cc1 ZINC000422902418 230269520 /nfs/dbraw/zinc/26/95/20/230269520.db2.gz UTUFLHJDYMKPMU-NRSFXHEJSA-N 1 3 322.424 2.076 20 0 DEADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000422909478 230273197 /nfs/dbraw/zinc/27/31/97/230273197.db2.gz OEGFGNBEIIESCV-BFHYXJOUSA-N 1 3 323.506 2.296 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCCc1nc2c(s1)CCCC2 ZINC000422909478 230273201 /nfs/dbraw/zinc/27/32/01/230273201.db2.gz OEGFGNBEIIESCV-BFHYXJOUSA-N 1 3 323.506 2.296 20 0 DEADHO C[C@@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H](C)Oc1ccccc1Cl ZINC000422923686 230280496 /nfs/dbraw/zinc/28/04/96/230280496.db2.gz SMQYLQSCTLZWPM-GUIRCDHDSA-N 1 3 312.841 2.449 20 0 DEADHO N[C@H]1CCC[C@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000422933620 230283740 /nfs/dbraw/zinc/28/37/40/230283740.db2.gz BNQQRIANZBNZHO-RBUKOAKNSA-N 1 3 316.493 2.058 20 0 DEADHO c1ccc2c(c1)C[C@H]1[C@@H]2[C@H]1CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422993399 230311048 /nfs/dbraw/zinc/31/10/48/230311048.db2.gz STGAKVUDAUAVCY-DNDRQTMDSA-N 1 3 312.457 2.319 20 0 DEADHO c1c(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)nc2n1CCS2 ZINC000423075011 230338805 /nfs/dbraw/zinc/33/88/05/230338805.db2.gz WAYBMEZDGHCQJB-RRFJBIMHSA-N 1 3 306.479 2.042 20 0 DEADHO Cc1c2ccccc2n(C)c1CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000423083322 230344434 /nfs/dbraw/zinc/34/44/34/230344434.db2.gz FUYMCDCKNAAINW-FVQBIDKESA-N 1 3 301.434 2.329 20 0 DEADHO CN(C(=O)Cc1c[nH]cn1)C1CCC([NH2+]C/C=C\Cl)CC1 ZINC001368905268 1148760258 /nfs/dbraw/zinc/76/02/58/1148760258.db2.gz SZTAALIXCKWFMW-UQCOIBPSSA-N 1 3 310.829 2.064 20 0 DEADHO CC(C)([NH3+])CCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000381632685 424909101 /nfs/dbraw/zinc/90/91/01/424909101.db2.gz RXUJEXNIRMOTOY-UHFFFAOYSA-N 1 3 303.450 2.285 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CN1Cc1ccccc1 ZINC000648821448 424912164 /nfs/dbraw/zinc/91/21/64/424912164.db2.gz OOUZYYSVTZUKIH-XYVMCAHJSA-N 1 3 315.461 2.106 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CN1Cc1ccccc1 ZINC000648821448 424912167 /nfs/dbraw/zinc/91/21/67/424912167.db2.gz OOUZYYSVTZUKIH-XYVMCAHJSA-N 1 3 315.461 2.106 20 0 DEADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC000648873694 424921195 /nfs/dbraw/zinc/92/11/95/424921195.db2.gz DLJLYRVTPDQQSR-BURFUSLBSA-N 1 3 317.477 2.443 20 0 DEADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC000648873694 424921197 /nfs/dbraw/zinc/92/11/97/424921197.db2.gz DLJLYRVTPDQQSR-BURFUSLBSA-N 1 3 317.477 2.443 20 0 DEADHO Nc1cc(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)ccn1 ZINC000377314702 424901693 /nfs/dbraw/zinc/90/16/93/424901693.db2.gz FNOLVXMMOSLCSJ-MOPGFXCFSA-N 1 3 322.456 2.618 20 0 DEADHO Nc1cc(C[N@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)ccn1 ZINC000377314702 424901697 /nfs/dbraw/zinc/90/16/97/424901697.db2.gz FNOLVXMMOSLCSJ-MOPGFXCFSA-N 1 3 322.456 2.618 20 0 DEADHO c1ccc(N2CC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)nc1 ZINC000415088176 424950143 /nfs/dbraw/zinc/95/01/43/424950143.db2.gz UWVZEMDIXYUSOS-VVLHAWIVSA-N 1 3 300.450 2.171 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CNCc3ccccc32)C[C@@H]1C ZINC000649340235 424996165 /nfs/dbraw/zinc/99/61/65/424996165.db2.gz LBWKKKNEAVSGCE-ZVZYQTTQSA-N 1 3 315.461 2.205 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CNCc3ccccc32)C[C@@H]1C ZINC000649340235 424996166 /nfs/dbraw/zinc/99/61/66/424996166.db2.gz LBWKKKNEAVSGCE-ZVZYQTTQSA-N 1 3 315.461 2.205 20 0 DEADHO Cc1ccccc1C1([NH2+]C[C@@H]2CCCN(C(=O)CN)C2)CCC1 ZINC000650704396 425038224 /nfs/dbraw/zinc/03/82/24/425038224.db2.gz WXONGTGPRAJVDN-INIZCTEOSA-N 1 3 315.461 2.161 20 0 DEADHO CCCn1cc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cn1 ZINC000650706147 425040371 /nfs/dbraw/zinc/04/03/71/425040371.db2.gz FDKRIFBVYBBVJN-ULQDDVLXSA-N 1 3 306.454 2.011 20 0 DEADHO CC[C@H](OCCN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])c1ccccc1 ZINC000650741702 425046281 /nfs/dbraw/zinc/04/62/81/425046281.db2.gz JUWYARXUEHJRSE-SPUZQDLCSA-N 1 3 306.450 2.496 20 0 DEADHO CN1CCN(CCCC[NH2+]Cc2cccc3c2CCC3)CC1 ZINC000651676520 425143178 /nfs/dbraw/zinc/14/31/78/425143178.db2.gz CNPVZWZQBBFKJI-UHFFFAOYSA-N 1 3 301.478 2.293 20 0 DEADHO C[C@H](NC(=O)N(C)CCN1CCCCC1)C(C)(C)C[NH+](C)C ZINC000650971449 425083590 /nfs/dbraw/zinc/08/35/90/425083590.db2.gz XDGFIUXZZJOHBB-HNNXBMFYSA-N 1 3 312.502 2.090 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC(N3CCOC[C@H]3C)CC2)C1 ZINC000660590803 425169858 /nfs/dbraw/zinc/16/98/58/425169858.db2.gz QMMZXFMRMGNEPW-KZNAEPCWSA-N 1 3 323.525 2.149 20 0 DEADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000660588714 425171293 /nfs/dbraw/zinc/17/12/93/425171293.db2.gz ZRPRIAJRUBQZML-JKSUJKDBSA-N 1 3 312.502 2.136 20 0 DEADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000660588714 425171301 /nfs/dbraw/zinc/17/13/01/425171301.db2.gz ZRPRIAJRUBQZML-JKSUJKDBSA-N 1 3 312.502 2.136 20 0 DEADHO C(c1nc2c(s1)CNCC2)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000663494107 425172120 /nfs/dbraw/zinc/17/21/20/425172120.db2.gz MHHFLILUNHAHRL-UONOGXRCSA-N 1 3 320.506 2.000 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000666760867 425177367 /nfs/dbraw/zinc/17/73/67/425177367.db2.gz PBYKSHJYLDBYMD-DLBZAZTESA-N 1 3 324.513 2.279 20 0 DEADHO C[N@@H+]1CC[C@@]2(CCN(C[C@@H]3CCCN(C(=O)C(C)(C)C)C3)C2)C1 ZINC000660616596 425178058 /nfs/dbraw/zinc/17/80/58/425178058.db2.gz NYWLBMKPOXWFRY-QFBILLFUSA-N 1 3 321.509 2.299 20 0 DEADHO C[N@H+]1CC[C@@]2(CCN(C[C@@H]3CCCN(C(=O)C(C)(C)C)C3)C2)C1 ZINC000660616596 425178062 /nfs/dbraw/zinc/17/80/62/425178062.db2.gz NYWLBMKPOXWFRY-QFBILLFUSA-N 1 3 321.509 2.299 20 0 DEADHO CN1CCN(CC[NH2+]Cc2cccc3c2CCC3)CC1(C)C ZINC000651794206 425147463 /nfs/dbraw/zinc/14/74/63/425147463.db2.gz JRAGEFSXOKEOMR-UHFFFAOYSA-N 1 3 301.478 2.291 20 0 DEADHO C[NH2+]Cc1ccccc1CNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000652287467 425231290 /nfs/dbraw/zinc/23/12/90/425231290.db2.gz YLYPSLRYFAZTGQ-YOEHRIQHSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000660825852 425246925 /nfs/dbraw/zinc/24/69/25/425246925.db2.gz XYFXCYKJPFLJPY-CABCVRRESA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000660825852 425246927 /nfs/dbraw/zinc/24/69/27/425246927.db2.gz XYFXCYKJPFLJPY-CABCVRRESA-N 1 3 310.486 2.033 20 0 DEADHO COc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H](C)[C@H]2CCN)c1 ZINC000652354626 425247618 /nfs/dbraw/zinc/24/76/18/425247618.db2.gz CZUNISJJUBEKBE-RHSMWYFYSA-N 1 3 319.449 2.473 20 0 DEADHO COc1cccc(NC(=O)CC[N@H+]2CCC[C@@H](C)[C@H]2CCN)c1 ZINC000652354626 425247624 /nfs/dbraw/zinc/24/76/24/425247624.db2.gz CZUNISJJUBEKBE-RHSMWYFYSA-N 1 3 319.449 2.473 20 0 DEADHO COc1cccc(NC(=O)CCN2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000652354626 425247629 /nfs/dbraw/zinc/24/76/29/425247629.db2.gz CZUNISJJUBEKBE-RHSMWYFYSA-N 1 3 319.449 2.473 20 0 DEADHO CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)[C@@H]1CCN(CC)C1 ZINC000663692441 425214848 /nfs/dbraw/zinc/21/48/48/425214848.db2.gz GEQRUZOCAMUGRH-JKSUJKDBSA-N 1 3 312.502 2.088 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000661110123 425325307 /nfs/dbraw/zinc/32/53/07/425325307.db2.gz RAJIPVVHKKPGAG-HWOWSKLDSA-N 1 3 322.497 2.175 20 0 DEADHO CCN(C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)[C@H]1CCN(CC)C1 ZINC000664003894 425285988 /nfs/dbraw/zinc/28/59/88/425285988.db2.gz UUCSTIIRSJDZEW-SJORKVTESA-N 1 3 324.513 2.233 20 0 DEADHO CCN(C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)[C@H]1CCN(CC)C1 ZINC000664003894 425285992 /nfs/dbraw/zinc/28/59/92/425285992.db2.gz UUCSTIIRSJDZEW-SJORKVTESA-N 1 3 324.513 2.233 20 0 DEADHO c1cc(O[C@@H]2CCOC2)ccc1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000657306976 425298609 /nfs/dbraw/zinc/29/86/09/425298609.db2.gz FJJLVGBXRKZXKF-QFBILLFUSA-N 1 3 316.445 2.428 20 0 DEADHO CCN1CC[C@@H](C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000657315055 425303144 /nfs/dbraw/zinc/30/31/44/425303144.db2.gz HAKTZVAGVTYTMP-FUHWJXTLSA-N 1 3 304.434 2.286 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000661070709 425312171 /nfs/dbraw/zinc/31/21/71/425312171.db2.gz GBMGZPNACNHZTE-HOCLYGCPSA-N 1 3 322.497 2.175 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000661070709 425312177 /nfs/dbraw/zinc/31/21/77/425312177.db2.gz GBMGZPNACNHZTE-HOCLYGCPSA-N 1 3 322.497 2.175 20 0 DEADHO COc1ccc(C)cc1CN[C@@H](C)CN(C)CCC[NH+](C)C ZINC000657572900 425368793 /nfs/dbraw/zinc/36/87/93/425368793.db2.gz FMVDQHVITNOBPQ-INIZCTEOSA-N 1 3 307.482 2.365 20 0 DEADHO C=Cn1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cn1 ZINC000657613524 425376750 /nfs/dbraw/zinc/37/67/50/425376750.db2.gz MJFVFXWCPQMFRH-UHFFFAOYSA-N 1 3 311.433 2.380 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654569604 425383682 /nfs/dbraw/zinc/38/36/82/425383682.db2.gz KXQHBQNHMQDDAP-YESZJQIVSA-N 1 3 324.513 2.423 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654569604 425383686 /nfs/dbraw/zinc/38/36/86/425383686.db2.gz KXQHBQNHMQDDAP-YESZJQIVSA-N 1 3 324.513 2.423 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000664919691 425478875 /nfs/dbraw/zinc/47/88/75/425478875.db2.gz IFDFHDKJQXDEDY-HZPDHXFCSA-N 1 3 312.502 2.233 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000664919691 425478879 /nfs/dbraw/zinc/47/88/79/425478879.db2.gz IFDFHDKJQXDEDY-HZPDHXFCSA-N 1 3 312.502 2.233 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)C1 ZINC000661509131 425429897 /nfs/dbraw/zinc/42/98/97/425429897.db2.gz XSQOQZDXIRDMIU-JKSUJKDBSA-N 1 3 324.513 2.233 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)C1 ZINC000661509131 425429902 /nfs/dbraw/zinc/42/99/02/425429902.db2.gz XSQOQZDXIRDMIU-JKSUJKDBSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](C(=O)NCc1ccc(C[NH3+])cc1F)[C@@H](N)c1ccccc1 ZINC000653225920 425438662 /nfs/dbraw/zinc/43/86/62/425438662.db2.gz KCSZERYGUMEKFH-SJKOYZFVSA-N 1 3 315.392 2.237 20 0 DEADHO C[C@@H](N[C@@H](C)CN(C)CCC[NH+](C)C)c1cn2ccccc2n1 ZINC000658105610 425439962 /nfs/dbraw/zinc/43/99/62/425439962.db2.gz BENQCHISJYTDON-JKSUJKDBSA-N 1 3 317.481 2.257 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000658240201 425459574 /nfs/dbraw/zinc/45/95/74/425459574.db2.gz QWQAAGIXSWWRJT-HKUYNNGSSA-N 1 3 323.525 2.340 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CC[C@@H]3C)CC2)CC1 ZINC000655076016 425495321 /nfs/dbraw/zinc/49/53/21/425495321.db2.gz DYEYTQTZMBBVAS-YOEHRIQHSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)N(C)C)cc1 ZINC000655445039 425568680 /nfs/dbraw/zinc/56/86/80/425568680.db2.gz GRWHGMADNQCOLU-ZIFCJYIRSA-N 1 3 315.461 2.104 20 0 DEADHO [NH3+][C@H]1CCc2ncc(NC(=O)C[C@H]3NCc4ccccc43)cc2C1 ZINC000659302249 425571880 /nfs/dbraw/zinc/57/18/80/425571880.db2.gz OIWJMFGUYATNHM-KBXCAEBGSA-N 1 3 322.412 2.071 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000665557113 425595189 /nfs/dbraw/zinc/59/51/89/425595189.db2.gz MYAZPMKFAMKAAG-HNNXBMFYSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000665557113 425595192 /nfs/dbraw/zinc/59/51/92/425595192.db2.gz MYAZPMKFAMKAAG-HNNXBMFYSA-N 1 3 322.497 2.129 20 0 DEADHO O[C@@H]([C@H]1CCCN1Cc1cccc2c1CC[NH2+]C2)C(F)(F)F ZINC000662258981 425604412 /nfs/dbraw/zinc/60/44/12/425604412.db2.gz ZRQZWHLITWAWCU-CABCVRRESA-N 1 3 314.351 2.220 20 0 DEADHO CO[C@H](C[N@@H+]1C[C@H](CN)C2(C1)CCOCC2)C1CCCCC1 ZINC000662272291 425609705 /nfs/dbraw/zinc/60/97/05/425609705.db2.gz DOTWBACCEKQYHT-DLBZAZTESA-N 1 3 310.482 2.269 20 0 DEADHO CO[C@H](C[N@H+]1C[C@H](CN)C2(C1)CCOCC2)C1CCCCC1 ZINC000662272291 425609711 /nfs/dbraw/zinc/60/97/11/425609711.db2.gz DOTWBACCEKQYHT-DLBZAZTESA-N 1 3 310.482 2.269 20 0 DEADHO CC[C@@H]([NH2+]C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000662426393 425648823 /nfs/dbraw/zinc/64/88/23/425648823.db2.gz RVXHBHSGYPCFMA-DZGCQCFKSA-N 1 3 309.479 2.074 20 0 DEADHO CCN(CCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)C1CC1 ZINC000662436558 425649960 /nfs/dbraw/zinc/64/99/60/425649960.db2.gz CDBDSQMQJQNJIZ-INIZCTEOSA-N 1 3 315.461 2.279 20 0 DEADHO C[N@H+](CCNC(=O)C[C@H]1NCc2ccccc21)C1CCCC1 ZINC000662447330 425652712 /nfs/dbraw/zinc/65/27/12/425652712.db2.gz RTIADKIVWFFIEP-QGZVFWFLSA-N 1 3 301.434 2.212 20 0 DEADHO C[N@@H+](CCNC(=O)C[C@H]1NCc2ccccc21)C1CCCC1 ZINC000662447330 425652714 /nfs/dbraw/zinc/65/27/14/425652714.db2.gz RTIADKIVWFFIEP-QGZVFWFLSA-N 1 3 301.434 2.212 20 0 DEADHO O=C(C[C@H]1NCc2ccccc21)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000662451477 425654321 /nfs/dbraw/zinc/65/43/21/425654321.db2.gz BTQHYCRGCQIQRM-FUHWJXTLSA-N 1 3 313.445 2.308 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000662462360 425656778 /nfs/dbraw/zinc/65/67/78/425656778.db2.gz IXSLHYVDOWNEKE-PBHICJAKSA-N 1 3 303.450 2.326 20 0 DEADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)C[C@H]1NCc2ccccc21 ZINC000662462060 425657284 /nfs/dbraw/zinc/65/72/84/425657284.db2.gz GKVGUVAQOQVKRG-DOTOQJQBSA-N 1 3 301.434 2.212 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000662474047 425660192 /nfs/dbraw/zinc/66/01/92/425660192.db2.gz QUSIZSHFJZOBRE-YDHLFZDLSA-N 1 3 309.479 2.245 20 0 DEADHO C[NH+](C)CC1CCN(C(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000662474250 425660286 /nfs/dbraw/zinc/66/02/86/425660286.db2.gz WDMUSSAOWASNRB-KRWDZBQOSA-N 1 3 301.434 2.021 20 0 DEADHO CC(C)[NH2+]CC(=O)N(CCCc1ccccc1)CCN(C)C ZINC000662473711 425660308 /nfs/dbraw/zinc/66/03/08/425660308.db2.gz NJBGTHVJSZIPCU-UHFFFAOYSA-N 1 3 305.466 2.007 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662483666 425662211 /nfs/dbraw/zinc/66/22/11/425662211.db2.gz ACEOPLSOIPTTEE-NVXWUHKLSA-N 1 3 301.434 2.164 20 0 DEADHO c1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662283459 425613137 /nfs/dbraw/zinc/61/31/37/425613137.db2.gz TZQQQEGTPXYNNQ-JQHSSLGASA-N 1 3 316.445 2.265 20 0 DEADHO CC[C@@H](C)N[C@@H](CNC(=O)NCC1([NH3+])CCCC1)c1ccco1 ZINC000659492133 425614922 /nfs/dbraw/zinc/61/49/22/425614922.db2.gz KBKAWPKEGKPAPE-KGLIPLIRSA-N 1 3 322.453 2.280 20 0 DEADHO CCC(C)(C)NC(=O)[C@@H](C)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294066 425615897 /nfs/dbraw/zinc/61/58/97/425615897.db2.gz ASMJJJWRPYICAQ-GDBMZVCRSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659498603 425616006 /nfs/dbraw/zinc/61/60/06/425616006.db2.gz OHIQYNGVCHODKL-JKSUJKDBSA-N 1 3 312.502 2.170 20 0 DEADHO CCC(CC)NC(=O)[C@H](C)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662299100 425617447 /nfs/dbraw/zinc/61/74/47/425617447.db2.gz ZPBXSILYWKOEOW-HOCLYGCPSA-N 1 3 309.498 2.391 20 0 DEADHO COc1ccc([C@H](NCCOCC[NH3+])c2ccccc2)cc1 ZINC000662298401 425618063 /nfs/dbraw/zinc/61/80/63/425618063.db2.gz BYDJDEJHAJFCMP-GOSISDBHSA-N 1 3 300.402 2.350 20 0 DEADHO Cc1ccccc1CNC(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662312763 425621144 /nfs/dbraw/zinc/62/11/44/425621144.db2.gz DHQLKUKGBBJAGO-SJLPKXTDSA-N 1 3 317.477 2.451 20 0 DEADHO CC(C)[C@@H](C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)N1CCCC1 ZINC000655687448 425628057 /nfs/dbraw/zinc/62/80/57/425628057.db2.gz PIVKKEIYKHKGSG-RTBURBONSA-N 1 3 323.525 2.340 20 0 DEADHO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000655698497 425630783 /nfs/dbraw/zinc/63/07/83/425630783.db2.gz GHXINRSGIKDHML-ZIFCJYIRSA-N 1 3 323.525 2.340 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000662356262 425631197 /nfs/dbraw/zinc/63/11/97/425631197.db2.gz ODHCBOIWVHJKFB-KRWDZBQOSA-N 1 3 301.434 2.210 20 0 DEADHO CCCCN1CCC([NH2+]C2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000655703776 425633298 /nfs/dbraw/zinc/63/32/98/425633298.db2.gz VGMPSTGDNSBRET-GOSISDBHSA-N 1 3 309.498 2.094 20 0 DEADHO CC[C@H]1CCCCN1CC[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000655711644 425635551 /nfs/dbraw/zinc/63/55/51/425635551.db2.gz KFPNXBSUNRCZAZ-OALUTQOASA-N 1 3 323.525 2.484 20 0 DEADHO CN[C@@H](C)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000662386360 425639407 /nfs/dbraw/zinc/63/94/07/425639407.db2.gz FAMSRUDLRIKYHZ-JYJNAYRXSA-N 1 3 317.477 2.389 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC(C)(C)[C@@H]1C1CC1 ZINC000665762468 425640769 /nfs/dbraw/zinc/64/07/69/425640769.db2.gz FJNJWFBTPGYYCP-HOCLYGCPSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(C)(C)[C@@H]1C1CC1 ZINC000665762468 425640773 /nfs/dbraw/zinc/64/07/73/425640773.db2.gz FJNJWFBTPGYYCP-HOCLYGCPSA-N 1 3 324.513 2.088 20 0 DEADHO CO[C@H](CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)C1CCCC1 ZINC000660118461 425742363 /nfs/dbraw/zinc/74/23/63/425742363.db2.gz UZLSBMJFJPOFDJ-BRSBDYLESA-N 1 3 310.482 2.375 20 0 DEADHO O=C(N[C@H]1CCCN2CCCC[C@H]12)c1cc2c(s1)CC[NH2+]C2 ZINC000662836448 425743907 /nfs/dbraw/zinc/74/39/07/425743907.db2.gz ZPGDVHRWNCHZES-UONOGXRCSA-N 1 3 319.474 2.141 20 0 DEADHO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2c(s1)CCNC2 ZINC000662836448 425743909 /nfs/dbraw/zinc/74/39/09/425743909.db2.gz ZPGDVHRWNCHZES-UONOGXRCSA-N 1 3 319.474 2.141 20 0 DEADHO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cc2c(s1)CCNC2 ZINC000662836448 425743914 /nfs/dbraw/zinc/74/39/14/425743914.db2.gz ZPGDVHRWNCHZES-UONOGXRCSA-N 1 3 319.474 2.141 20 0 DEADHO CN(C)C[C@H]1CC[N@H+](CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000659926056 425692180 /nfs/dbraw/zinc/69/21/80/425692180.db2.gz LDTQPOBQMHVTIP-CYBMUJFWSA-N 1 3 312.360 2.434 20 0 DEADHO CN(C)C[C@H]1CC[N@@H+](CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000659926056 425692183 /nfs/dbraw/zinc/69/21/83/425692183.db2.gz LDTQPOBQMHVTIP-CYBMUJFWSA-N 1 3 312.360 2.434 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000655962929 425694984 /nfs/dbraw/zinc/69/49/84/425694984.db2.gz IWMKPNHROYBSBS-INIZCTEOSA-N 1 3 318.465 2.202 20 0 DEADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000662659036 425704362 /nfs/dbraw/zinc/70/43/62/425704362.db2.gz MUPQMLHSUWDUKD-QGZVFWFLSA-N 1 3 315.461 2.033 20 0 DEADHO [NH3+]C1(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC2(CCC2)C1 ZINC000662667072 425708312 /nfs/dbraw/zinc/70/83/12/425708312.db2.gz XEYFYVINUNTLSW-INIZCTEOSA-N 1 3 313.445 2.039 20 0 DEADHO CC[C@@H](NC)C(=O)Nc1ccccc1OCC[NH+](CC)CC ZINC000662673755 425709330 /nfs/dbraw/zinc/70/93/30/425709330.db2.gz QXYQBNBVESPLPV-CQSZACIVSA-N 1 3 307.438 2.344 20 0 DEADHO C[C@H](CNC(=O)c1cccc2c1CNC2)[N@@H+]1CCCC[C@H]1C ZINC000662679490 425710278 /nfs/dbraw/zinc/71/02/78/425710278.db2.gz OZEQBYWBOHGPFA-ZIAGYGMSSA-N 1 3 301.434 2.283 20 0 DEADHO C[C@H](CNC(=O)c1cccc2c1CNC2)[N@H+]1CCCC[C@H]1C ZINC000662679490 425710280 /nfs/dbraw/zinc/71/02/80/425710280.db2.gz OZEQBYWBOHGPFA-ZIAGYGMSSA-N 1 3 301.434 2.283 20 0 DEADHO C[NH+](C)[C@H](CNC(=O)C1(N)CC2(CCC2)C1)C1CCCCC1 ZINC000662679179 425710991 /nfs/dbraw/zinc/71/09/91/425710991.db2.gz LQXWRXBFCBIGMN-OAHLLOKOSA-N 1 3 307.482 2.275 20 0 DEADHO Cc1ccc([C@H](CNC(=O)CC2([NH3+])CC2)N2CCCC2)cc1 ZINC000662699978 425715431 /nfs/dbraw/zinc/71/54/31/425715431.db2.gz GBKVZCDBLYDHDL-INIZCTEOSA-N 1 3 301.434 2.130 20 0 DEADHO CC[C@@H]([NH2+]C)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000662720404 425722006 /nfs/dbraw/zinc/72/20/06/425722006.db2.gz ZIROTKUIXUKRBP-QGZVFWFLSA-N 1 3 303.450 2.107 20 0 DEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c(s2)CCNC3)C[C@H]1C ZINC000662743625 425726748 /nfs/dbraw/zinc/72/67/48/425726748.db2.gz RIXBEXORPXHWFM-TZMCWYRMSA-N 1 3 321.490 2.339 20 0 DEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc3c(s2)CCNC3)C[C@H]1C ZINC000662743625 425726751 /nfs/dbraw/zinc/72/67/51/425726751.db2.gz RIXBEXORPXHWFM-TZMCWYRMSA-N 1 3 321.490 2.339 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@H]2[NH2+]CCC2(C)C)CN1Cc1ccccc1 ZINC000662748404 425728993 /nfs/dbraw/zinc/72/89/93/425728993.db2.gz SMIOFTNLKWOPPN-HYVNUMGLSA-N 1 3 315.461 2.154 20 0 DEADHO C[C@@H](NCCN1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660256662 425777220 /nfs/dbraw/zinc/77/72/20/425777220.db2.gz MTZBBUSUERFNQX-XDNAFOTISA-N 1 3 323.525 2.338 20 0 DEADHO C[C@@H](NCCN1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256662 425777223 /nfs/dbraw/zinc/77/72/23/425777223.db2.gz MTZBBUSUERFNQX-XDNAFOTISA-N 1 3 323.525 2.338 20 0 DEADHO C[C@@H]([NH2+]CCN1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000660256662 425777225 /nfs/dbraw/zinc/77/72/25/425777225.db2.gz MTZBBUSUERFNQX-XDNAFOTISA-N 1 3 323.525 2.338 20 0 DEADHO N[C@H](CC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000662840161 425745439 /nfs/dbraw/zinc/74/54/39/425745439.db2.gz YNTFXRAKQNHJSE-ZACQAIPSSA-N 1 3 301.434 2.210 20 0 DEADHO N[C@H](CC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000662840161 425745442 /nfs/dbraw/zinc/74/54/42/425745442.db2.gz YNTFXRAKQNHJSE-ZACQAIPSSA-N 1 3 301.434 2.210 20 0 DEADHO CO[C@H](CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C1CCC1 ZINC000660127477 425746660 /nfs/dbraw/zinc/74/66/60/425746660.db2.gz AIJUOANCCQZECO-ZZJWQFMZSA-N 1 3 321.509 2.044 20 0 DEADHO CO[C@H](CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C1CCC1 ZINC000660127477 425746663 /nfs/dbraw/zinc/74/66/63/425746663.db2.gz AIJUOANCCQZECO-ZZJWQFMZSA-N 1 3 321.509 2.044 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N(CC)CC ZINC000662868030 425752168 /nfs/dbraw/zinc/75/21/68/425752168.db2.gz RNVLVLGNCJQQJS-KURKYZTESA-N 1 3 317.477 2.369 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H]1CN1CCC[C@H](N2CCOCC2)CC1 ZINC000660476449 425819814 /nfs/dbraw/zinc/81/98/14/425819814.db2.gz YNEPUDOZCSCTOE-OALUTQOASA-N 1 3 323.525 2.436 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H]1CN1CCC[C@H](N2CCOCC2)CC1 ZINC000660476449 425819815 /nfs/dbraw/zinc/81/98/15/425819815.db2.gz YNEPUDOZCSCTOE-OALUTQOASA-N 1 3 323.525 2.436 20 0 DEADHO CC(C)c1cccc(C[NH2+]CCCN2CCC[C@H](C(N)=O)C2)c1 ZINC000663315489 425827285 /nfs/dbraw/zinc/82/72/85/425827285.db2.gz KOPVWFWSCFWIFO-SFHVURJKSA-N 1 3 317.477 2.487 20 0 DEADHO C[C@H]([NH2+]CCC(=O)N(C)c1ccccc1)C1=CCN(C)CC1 ZINC000663360795 425832110 /nfs/dbraw/zinc/83/21/10/425832110.db2.gz UUSSRVYTBQGQKY-HNNXBMFYSA-N 1 3 301.434 2.280 20 0 DEADHO CCN(C(=O)NC[C@H](c1ccccc1)N(C)C)[C@@H]1CC[N@H+](C)C1 ZINC000663417703 425837941 /nfs/dbraw/zinc/83/79/41/425837941.db2.gz XNKBRQHJSYORRZ-IAGOWNOFSA-N 1 3 318.465 2.025 20 0 DEADHO CCN(C(=O)NC[C@H](c1ccccc1)N(C)C)[C@@H]1CC[N@@H+](C)C1 ZINC000663417703 425837942 /nfs/dbraw/zinc/83/79/42/425837942.db2.gz XNKBRQHJSYORRZ-IAGOWNOFSA-N 1 3 318.465 2.025 20 0 DEADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3ccc4c[nH]nc4c3)CC2)C1 ZINC000333089841 268883957 /nfs/dbraw/zinc/88/39/57/268883957.db2.gz CFTLEMZQKWPQFC-WMZOPIPTSA-N 1 3 314.433 2.281 20 0 DEADHO OC1(CNCc2cncs2)CC[NH+](Cc2ccccc2)CC1 ZINC000397486943 269106691 /nfs/dbraw/zinc/10/66/91/269106691.db2.gz CURIYEQGHAXQNE-UHFFFAOYSA-N 1 3 317.458 2.260 20 0 DEADHO OC1(C[NH2+][C@@H]2CCCOCC2)CCN(Cc2ccccc2)CC1 ZINC000397506631 269106779 /nfs/dbraw/zinc/10/67/79/269106779.db2.gz JJHDGHZGYAKGCC-GOSISDBHSA-N 1 3 318.461 2.172 20 0 DEADHO CC1(C)C[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CO1 ZINC000397558575 269106828 /nfs/dbraw/zinc/10/68/28/269106828.db2.gz RCWWLODNZKEADF-QGZVFWFLSA-N 1 3 318.461 2.171 20 0 DEADHO C[C@H](CNC(=O)OC(C)(C)C)N[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000495689452 269168302 /nfs/dbraw/zinc/16/83/02/269168302.db2.gz TYAZGLOJJKQHIS-BARDWOONSA-N 1 3 311.470 2.362 20 0 DEADHO C[C@H](CNC(=O)OC(C)(C)C)N[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000495689452 269168304 /nfs/dbraw/zinc/16/83/04/269168304.db2.gz TYAZGLOJJKQHIS-BARDWOONSA-N 1 3 311.470 2.362 20 0 DEADHO C[C@H](CN)C[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496539314 269227740 /nfs/dbraw/zinc/22/77/40/269227740.db2.gz KLDRBXHNNWREQG-HUUCEWRRSA-N 1 3 305.422 2.224 20 0 DEADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N[C@@H](C)C[NH+](C)C)N(C)C ZINC000508873322 269318674 /nfs/dbraw/zinc/31/86/74/269318674.db2.gz SYRYVECVFQLVAG-YQQAZPJKSA-N 1 3 320.481 2.236 20 0 DEADHO N[C@@H](CNC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccccc1 ZINC000515048138 269342260 /nfs/dbraw/zinc/34/22/60/269342260.db2.gz UWHISOITVOISFG-KRWDZBQOSA-N 1 3 316.449 2.003 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000518358369 269398309 /nfs/dbraw/zinc/39/83/09/269398309.db2.gz KJJVKAXZNBBPNN-IRXDYDNUSA-N 1 3 303.450 2.137 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000518358369 269398310 /nfs/dbraw/zinc/39/83/10/269398310.db2.gz KJJVKAXZNBBPNN-IRXDYDNUSA-N 1 3 303.450 2.137 20 0 DEADHO C[C@@H]1CC[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)[C@@H](C)C1 ZINC000414195366 287789245 /nfs/dbraw/zinc/78/92/45/287789245.db2.gz NZWHIQVFZFBJFG-SQNIBIBYSA-N 1 3 323.525 2.197 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)N1CCCCC1 ZINC000361713648 276012109 /nfs/dbraw/zinc/01/21/09/276012109.db2.gz ZPUIQKMPAZNTOW-RCCFBDPRSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)N1CCCCC1 ZINC000361713648 276012111 /nfs/dbraw/zinc/01/21/11/276012111.db2.gz ZPUIQKMPAZNTOW-RCCFBDPRSA-N 1 3 321.509 2.440 20 0 DEADHO CC1CCC(N2CCN(C(=O)[C@@H]3CCC[NH2+][C@@H]3C)CC2)CC1 ZINC000342690750 276190336 /nfs/dbraw/zinc/19/03/36/276190336.db2.gz GQCWJSNYAJATAZ-MNAZLIDISA-N 1 3 307.482 2.097 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+](C)[C@H]2CCCOC2)CC1 ZINC000348701143 276203256 /nfs/dbraw/zinc/20/32/56/276203256.db2.gz CBWVSTDQBFALLR-SFHVURJKSA-N 1 3 317.477 2.439 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+](C)[C@H]2CCCOC2)CC1 ZINC000348701143 276203257 /nfs/dbraw/zinc/20/32/57/276203257.db2.gz CBWVSTDQBFALLR-SFHVURJKSA-N 1 3 317.477 2.439 20 0 DEADHO CC[NH+]1CCN(c2ccccc2CN2CC[C@@H]2COC)CC1 ZINC000354057733 276203265 /nfs/dbraw/zinc/20/32/65/276203265.db2.gz ZHCFJELHZWTKHK-QGZVFWFLSA-N 1 3 303.450 2.049 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H]2COC)CC1 ZINC000354057733 276203266 /nfs/dbraw/zinc/20/32/66/276203266.db2.gz ZHCFJELHZWTKHK-QGZVFWFLSA-N 1 3 303.450 2.049 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@H]2COC)CC1 ZINC000354057733 276203267 /nfs/dbraw/zinc/20/32/67/276203267.db2.gz ZHCFJELHZWTKHK-QGZVFWFLSA-N 1 3 303.450 2.049 20 0 DEADHO CCO[C@@H]1C[C@H](NC[C@@H](O)C[NH+]2CCC(C)CC2)C12CCC2 ZINC000344109588 276352137 /nfs/dbraw/zinc/35/21/37/276352137.db2.gz SSMAPOIHPVHHHF-IXDOHACOSA-N 1 3 310.482 2.017 20 0 DEADHO CN(C(=O)[C@@H]1CCC[C@@H]1[NH3+])C1CCN(Cc2ccccc2)CC1 ZINC000167667869 276732361 /nfs/dbraw/zinc/73/23/61/276732361.db2.gz HSWWAPHREYXKRU-MSOLQXFVSA-N 1 3 315.461 2.237 20 0 DEADHO CC(C)(CC[NH3+])NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000422589857 277296406 /nfs/dbraw/zinc/29/64/06/277296406.db2.gz KFNBEIXTHQHGDR-INIZCTEOSA-N 1 3 318.465 2.250 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)N1CCCCC1 ZINC000374438550 277860491 /nfs/dbraw/zinc/86/04/91/277860491.db2.gz SFTQWQRBVUPMOW-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@H](C(=O)NCC1CC[NH+](C2CC2)CC1)N1CCCCC1 ZINC000446453557 277866701 /nfs/dbraw/zinc/86/67/01/277866701.db2.gz QGMWEJJLLXTCBC-GOSISDBHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(=O)NCCc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000356674123 278118490 /nfs/dbraw/zinc/11/84/90/278118490.db2.gz APHGPVHKFHXYET-ZRGWGRIASA-N 1 3 317.477 2.499 20 0 DEADHO CC(=O)NCCc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000356674123 278118491 /nfs/dbraw/zinc/11/84/91/278118491.db2.gz APHGPVHKFHXYET-ZRGWGRIASA-N 1 3 317.477 2.499 20 0 DEADHO C[C@@H]([NH3+])C[C@@H](C)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000422982520 278309435 /nfs/dbraw/zinc/30/94/35/278309435.db2.gz QZEDAFWZRHLZAM-HUUCEWRRSA-N 1 3 305.466 2.429 20 0 DEADHO CC(C)(C)[C@H](N)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423794212 278525673 /nfs/dbraw/zinc/52/56/73/278525673.db2.gz JNUDREKLHWJKSU-MRXNPFEDSA-N 1 3 309.498 2.474 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)NC(C)(C)CCC[NH3+])N(C)C)cc1 ZINC000417312398 278844062 /nfs/dbraw/zinc/84/40/62/278844062.db2.gz NPEUHTHIVKMQSO-MRXNPFEDSA-N 1 3 320.481 2.414 20 0 DEADHO CC[NH+](CC)CC1CCN(C(=O)C2CCN(C3CC3)CC2)CC1 ZINC000338792004 279091473 /nfs/dbraw/zinc/09/14/73/279091473.db2.gz BNTNMPXZXBWCQN-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[C@H](C)N(C)C(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420323213 279099026 /nfs/dbraw/zinc/09/90/26/279099026.db2.gz FWNPWHJTPFHICJ-GVDBMIGSSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H](Cc1ccccc1)N(C)C ZINC000132898009 288102105 /nfs/dbraw/zinc/10/21/05/288102105.db2.gz GKEWMXVDONSXNL-JFRXWTBNSA-N 1 3 303.494 2.478 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NC[C@@H](Cc1ccccc1)N(C)C ZINC000132898009 288102106 /nfs/dbraw/zinc/10/21/06/288102106.db2.gz GKEWMXVDONSXNL-JFRXWTBNSA-N 1 3 303.494 2.478 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NC[C@@H](Cc1ccccc1)N(C)C ZINC000132898009 288102107 /nfs/dbraw/zinc/10/21/07/288102107.db2.gz GKEWMXVDONSXNL-JFRXWTBNSA-N 1 3 303.494 2.478 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000131364124 279264381 /nfs/dbraw/zinc/26/43/81/279264381.db2.gz WNVFFTDOUJAWNE-DLBZAZTESA-N 1 3 307.482 2.338 20 0 DEADHO C[C@H](NC(=O)C(C)(C)[C@@H](N)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000417777967 279426596 /nfs/dbraw/zinc/42/65/96/279426596.db2.gz DWTRAOSQWMSNJB-BPUTZDHNSA-N 1 3 303.450 2.217 20 0 DEADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000417317948 279873812 /nfs/dbraw/zinc/87/38/12/279873812.db2.gz XSGDWYHGSMIQHF-HOTGVXAUSA-N 1 3 312.502 2.122 20 0 DEADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N(CCN(C)C)C1CCCC1 ZINC000124171990 280098225 /nfs/dbraw/zinc/09/82/25/280098225.db2.gz NFUVTSBCIWZBCI-OAHLLOKOSA-N 1 3 312.502 2.233 20 0 DEADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N(CCN(C)C)C1CCCC1 ZINC000124171990 280098227 /nfs/dbraw/zinc/09/82/27/280098227.db2.gz NFUVTSBCIWZBCI-OAHLLOKOSA-N 1 3 312.502 2.233 20 0 DEADHO CC1(C)CCCN[C@@H]1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000423431804 280990638 /nfs/dbraw/zinc/99/06/38/280990638.db2.gz VNVFNHQDZXCNRR-JKSUJKDBSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@@H]1CCC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000077856365 281578798 /nfs/dbraw/zinc/57/87/98/281578798.db2.gz HCXUKYPFKDXBHM-HZPDHXFCSA-N 1 3 312.502 2.090 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCCN2CCCCC2)C1 ZINC000078988598 281585434 /nfs/dbraw/zinc/58/54/34/281585434.db2.gz INFPUIFPPOKEEJ-IAGOWNOFSA-N 1 3 324.513 2.140 20 0 DEADHO Cc1ccc(SCC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000103211966 281651176 /nfs/dbraw/zinc/65/11/76/281651176.db2.gz APYOTAHLKOBWGM-UHFFFAOYSA-N 1 3 323.506 2.039 20 0 DEADHO C[C@H](CC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(F)cc1 ZINC000103213118 281651189 /nfs/dbraw/zinc/65/11/89/281651189.db2.gz HMPZKHMUXYATPQ-OAHLLOKOSA-N 1 3 323.456 2.271 20 0 DEADHO CN1CCC2(CCCN2C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000352274519 289047027 /nfs/dbraw/zinc/04/70/27/289047027.db2.gz UOQQNYHPEGFSDN-UHFFFAOYSA-N 1 3 322.497 2.131 20 0 DEADHO C[C@@H]1[C@H](NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CCCN1C ZINC000418012731 289051365 /nfs/dbraw/zinc/05/13/65/289051365.db2.gz YFAUSCIMJQVTQK-VQHPVUNQSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)CCCN1C ZINC000343846027 289055241 /nfs/dbraw/zinc/05/52/41/289055241.db2.gz JGWISEKKPAVWPG-RHSMWYFYSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@H](C(=O)NC[C@H]1CCCCN1C1CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000434447464 289357231 /nfs/dbraw/zinc/35/72/31/289357231.db2.gz ZXCDVCKYTCKTJL-JYYAWHABSA-N 1 3 307.482 2.381 20 0 DEADHO C[C@H](C(=O)NC[C@H]1CCCCN1C1CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000434447464 289357233 /nfs/dbraw/zinc/35/72/33/289357233.db2.gz ZXCDVCKYTCKTJL-JYYAWHABSA-N 1 3 307.482 2.381 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000417017632 289566867 /nfs/dbraw/zinc/56/68/67/289566867.db2.gz HDSQAHIPZKRZKP-ZBFHGGJFSA-N 1 3 310.486 2.068 20 0 DEADHO CN1CC[C@H]([NH2+]C2CN(C(=O)OC(C)(C)C)C2)[C@@H]2CCC[C@@H]21 ZINC000367638808 290215047 /nfs/dbraw/zinc/21/50/47/290215047.db2.gz QUMFJMNYXOOVLM-KKUMJFAQSA-N 1 3 309.454 2.068 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000342764085 297543980 /nfs/dbraw/zinc/54/39/80/297543980.db2.gz FSGGMMBYADOOHH-ZNMIVQPWSA-N 1 3 321.490 2.389 20 0 DEADHO C[C@H](C(=O)N1CCCC2(CC[NH2+]CC2)C1)N1CCCCCC1 ZINC000372427236 298012921 /nfs/dbraw/zinc/01/29/21/298012921.db2.gz PNSSVVPRTHDILD-MRXNPFEDSA-N 1 3 307.482 2.243 20 0 DEADHO C[C@H](C(=O)N1CCN(C2CC2)C[C@H](C)C1)[NH+]1CCCCCC1 ZINC000452174823 298049964 /nfs/dbraw/zinc/04/99/64/298049964.db2.gz RDOHCXBMHWGDDY-JKSUJKDBSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)N1[C@H](C)CC[C@@H]1C ZINC000356230483 298086868 /nfs/dbraw/zinc/08/68/68/298086868.db2.gz MDGYBHAHJOSLIG-KYHPRHEASA-N 1 3 307.482 2.192 20 0 DEADHO C[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)N1[C@H](C)CC[C@@H]1C ZINC000356230483 298086870 /nfs/dbraw/zinc/08/68/70/298086870.db2.gz MDGYBHAHJOSLIG-KYHPRHEASA-N 1 3 307.482 2.192 20 0 DEADHO C[C@H](C(=O)N1C[C@@H]([NH3+])Cc2ccccc21)[C@@H](N)c1ccccc1 ZINC000424069306 298096295 /nfs/dbraw/zinc/09/62/95/298096295.db2.gz BQUCBJUAFQHPCD-QANKJYHBSA-N 1 3 309.413 2.239 20 0 DEADHO C[C@H](C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)N1[C@H](C)CC[C@@H]1C ZINC000245201618 298167794 /nfs/dbraw/zinc/16/77/94/298167794.db2.gz KVJMSEARNKVUNX-BPKGMFCQSA-N 1 3 309.498 2.484 20 0 DEADHO C[C@H](C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)N1[C@H](C)CC[C@@H]1C ZINC000245201618 298167797 /nfs/dbraw/zinc/16/77/97/298167797.db2.gz KVJMSEARNKVUNX-BPKGMFCQSA-N 1 3 309.498 2.484 20 0 DEADHO C[C@H](C1CC1)N(C(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)C1CC1 ZINC000420323682 298249060 /nfs/dbraw/zinc/24/90/60/298249060.db2.gz GSUFORQNFREIBE-DJIMGWMZSA-N 1 3 319.493 2.097 20 0 DEADHO Cc1cccc([C@H](C[NH2+][C@@H]2CCC[C@H]2CN)N2CCOCC2)c1 ZINC000422860237 302031860 /nfs/dbraw/zinc/03/18/60/302031860.db2.gz LDOVTICGUARNGJ-OTWHNJEPSA-N 1 3 317.477 2.085 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2C2CCCCC2)C1 ZINC000414679273 303365515 /nfs/dbraw/zinc/36/55/15/303365515.db2.gz RUAVYYCYYQRIEF-DOTOQJQBSA-N 1 3 307.482 2.228 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]2C2CCCCC2)C1 ZINC000414679273 303365518 /nfs/dbraw/zinc/36/55/18/303365518.db2.gz RUAVYYCYYQRIEF-DOTOQJQBSA-N 1 3 307.482 2.228 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC(CC)([NH2+]CCF)CC1 ZINC001424389789 1173779188 /nfs/dbraw/zinc/77/91/88/1173779188.db2.gz DKFAHZOXBXPEEW-HNNXBMFYSA-N 1 3 313.461 2.191 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC(C)([NH2+]C/C=C\Cl)CC2)C1 ZINC001424489749 1173808458 /nfs/dbraw/zinc/80/84/58/1173808458.db2.gz HZQZSEQMYWAWBC-NMNMAYGDSA-N 1 3 313.873 2.051 20 0 DEADHO CCc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)C2=CCN(C)CC2)c1 ZINC000573112081 326025271 /nfs/dbraw/zinc/02/52/71/326025271.db2.gz ILQJSATXAUWLFA-YJBOKZPZSA-N 1 3 318.461 2.229 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000573456806 326059757 /nfs/dbraw/zinc/05/97/57/326059757.db2.gz NOPDUWPMJMGNAS-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000573456806 326059759 /nfs/dbraw/zinc/05/97/59/326059759.db2.gz NOPDUWPMJMGNAS-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO O=C(NCCCN1CCc2ccccc2C1)[C@H]1CCCCC[NH2+]1 ZINC000574208525 326133211 /nfs/dbraw/zinc/13/32/11/326133211.db2.gz PSBJAMGOZXZGHU-GOSISDBHSA-N 1 3 315.461 2.083 20 0 DEADHO CN1CCN(CCCC[NH2+]Cc2scnc2C2CC2)CC1 ZINC000574380578 326148108 /nfs/dbraw/zinc/14/81/08/326148108.db2.gz KBFWGLVCKPPYAG-UHFFFAOYSA-N 1 3 308.495 2.138 20 0 DEADHO O=C1C[C@H](C[NH2+]C2CCN(C3CCCCC3)CC2)CN1C1CC1 ZINC000574816210 326190097 /nfs/dbraw/zinc/19/00/97/326190097.db2.gz PGXBDEXZYLFLCW-OAHLLOKOSA-N 1 3 319.493 2.384 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000574915567 326200558 /nfs/dbraw/zinc/20/05/58/326200558.db2.gz ITOBSSRAYDBCGV-ROUUACIJSA-N 1 3 315.461 2.210 20 0 DEADHO O[C@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)Cc1cccc(Cl)c1 ZINC000575981555 326260610 /nfs/dbraw/zinc/26/06/10/326260610.db2.gz RJSPREDHXZKTOO-PBHICJAKSA-N 1 3 308.853 2.317 20 0 DEADHO O[C@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)Cc1cccc(Cl)c1 ZINC000575981555 326260612 /nfs/dbraw/zinc/26/06/12/326260612.db2.gz RJSPREDHXZKTOO-PBHICJAKSA-N 1 3 308.853 2.317 20 0 DEADHO O[C@H](CNC[C@H]1CC[N@H+](C2CC2)C1)Cc1cccc(Cl)c1 ZINC000575981555 326260615 /nfs/dbraw/zinc/26/06/15/326260615.db2.gz RJSPREDHXZKTOO-PBHICJAKSA-N 1 3 308.853 2.317 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000576105216 326269292 /nfs/dbraw/zinc/26/92/92/326269292.db2.gz PQUIMZKHLMINHD-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C[C@H]2CCCC[C@H]2O)CC1 ZINC000576455843 326294972 /nfs/dbraw/zinc/29/49/72/326294972.db2.gz KOWVSRXDRHRNHK-FCGDIQPGSA-N 1 3 323.525 2.028 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C[C@H]2CCCC[C@H]2O)CC1 ZINC000576455843 326294973 /nfs/dbraw/zinc/29/49/73/326294973.db2.gz KOWVSRXDRHRNHK-FCGDIQPGSA-N 1 3 323.525 2.028 20 0 DEADHO CN1CCN(CC[NH2+]Cc2ccc3[nH]ccc3c2)CC1(C)C ZINC000576478906 326297163 /nfs/dbraw/zinc/29/71/63/326297163.db2.gz GWTCVLBAVIOARP-UHFFFAOYSA-N 1 3 300.450 2.284 20 0 DEADHO Fc1ccc([C@H](NCC[C@H]2CCC[NH2+]C2)c2c[nH]nn2)cc1 ZINC000576626440 326307112 /nfs/dbraw/zinc/30/71/12/326307112.db2.gz FOYQSFYPXAXMOQ-WBMJQRKESA-N 1 3 303.385 2.013 20 0 DEADHO C[C@@H]1COCCN1C1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000576955043 326332505 /nfs/dbraw/zinc/33/25/05/326332505.db2.gz VZHKVQFQTDOFNL-SJORKVTESA-N 1 3 309.498 2.046 20 0 DEADHO C[C@@H]1COCCN1C1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000576955043 326332506 /nfs/dbraw/zinc/33/25/06/326332506.db2.gz VZHKVQFQTDOFNL-SJORKVTESA-N 1 3 309.498 2.046 20 0 DEADHO C[C@@H]1COCCN1C1CC[NH+](CC[C@@H]2CCCCN2C)CC1 ZINC000576955043 326332507 /nfs/dbraw/zinc/33/25/07/326332507.db2.gz VZHKVQFQTDOFNL-SJORKVTESA-N 1 3 309.498 2.046 20 0 DEADHO COC[C@H](C)C[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000187427143 332968774 /nfs/dbraw/zinc/96/87/74/332968774.db2.gz LPQNRFVYUARPKN-BRWVUGGUSA-N 1 3 312.498 2.480 20 0 DEADHO CN(CCCN(C)Cc1scnc1C1CC1)CC[NH+](C)C ZINC000580259597 333043343 /nfs/dbraw/zinc/04/33/43/333043343.db2.gz PAOCMCZLDIADSA-UHFFFAOYSA-N 1 3 310.511 2.336 20 0 DEADHO CC(C)[NH2+]CC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388518602 333319541 /nfs/dbraw/zinc/31/95/41/333319541.db2.gz QBJBBANKFFGOBI-KRWDZBQOSA-N 1 3 303.450 2.107 20 0 DEADHO C[NH2+][C@@H](C)C(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC000583703643 337092302 /nfs/dbraw/zinc/09/23/02/337092302.db2.gz DRVNXGFMCQZNKA-ZDUSSCGKSA-N 1 3 307.463 2.090 20 0 DEADHO CC(C)(C[NH2+]C[C@@H](O)COc1ccc(F)cc1)CN1CCCC1 ZINC000582542117 337106939 /nfs/dbraw/zinc/10/69/39/337106939.db2.gz LUCMQYJUVDYWGE-MRXNPFEDSA-N 1 3 324.440 2.277 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N[C@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000582903453 337213494 /nfs/dbraw/zinc/21/34/94/337213494.db2.gz AVIMHKOECXJDSW-ZMSDIMECSA-N 1 3 320.481 2.495 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000583064618 337234772 /nfs/dbraw/zinc/23/47/72/337234772.db2.gz RTBOXUBIEATDBL-HOTGVXAUSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000583064618 337234773 /nfs/dbraw/zinc/23/47/73/337234773.db2.gz RTBOXUBIEATDBL-HOTGVXAUSA-N 1 3 324.513 2.136 20 0 DEADHO N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000583747057 337328536 /nfs/dbraw/zinc/32/85/36/337328536.db2.gz RFHLAMUYEHEWRY-ROUUACIJSA-N 1 3 304.434 2.352 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2C)cc1 ZINC001089037449 782129829 /nfs/dbraw/zinc/12/98/29/782129829.db2.gz FAJGNPSMVQNCSF-NXHRZFHOSA-N 1 3 315.461 2.026 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C)cc1 ZINC001089037449 782129835 /nfs/dbraw/zinc/12/98/35/782129835.db2.gz FAJGNPSMVQNCSF-NXHRZFHOSA-N 1 3 315.461 2.026 20 0 DEADHO CC[C@H](F)C[NH2+]CC1(NC(=O)CN(C)C2CCC2)CCCC1 ZINC001378355979 1152304031 /nfs/dbraw/zinc/30/40/31/1152304031.db2.gz RBEFGJHSBIPPOK-AWEZNQCLSA-N 1 3 313.461 2.237 20 0 DEADHO CC[C@H](C)C[N@@H+]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001377459434 1160387780 /nfs/dbraw/zinc/38/77/80/1160387780.db2.gz JOTLXJRFTRSKQO-JKSUJKDBSA-N 1 3 311.514 2.449 20 0 DEADHO CC[C@H](C)C[N@H+]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001377459434 1160387792 /nfs/dbraw/zinc/38/77/92/1160387792.db2.gz JOTLXJRFTRSKQO-JKSUJKDBSA-N 1 3 311.514 2.449 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]1C[C@H]([NH2+]C/C=C/Cl)C1 ZINC001397675867 1160393413 /nfs/dbraw/zinc/39/34/13/1160393413.db2.gz MSGUYFYCNFXITD-LRMMOLSCSA-N 1 3 313.873 2.096 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC001378587008 1152385604 /nfs/dbraw/zinc/38/56/04/1152385604.db2.gz NGIFJLPVIGUKNA-CQSZACIVSA-N 1 3 309.498 2.199 20 0 DEADHO C[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1cnccc1N ZINC000422954662 533835652 /nfs/dbraw/zinc/83/56/52/533835652.db2.gz HWOSHWUOUXJAAE-HNNXBMFYSA-N 1 3 318.465 2.180 20 0 DEADHO C[C@H](NC[C@@H](CO)Cc1c(F)cccc1Cl)[C@H]1CC[NH2+]C1 ZINC000422790442 533879407 /nfs/dbraw/zinc/87/94/07/533879407.db2.gz BZDNHPFXEUCNPY-AVGNSLFASA-N 1 3 314.832 2.218 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)[C@@H](C)O1 ZINC000294685485 533953617 /nfs/dbraw/zinc/95/36/17/533953617.db2.gz FOVKKWGZIBECDV-CLCXKQKWSA-N 1 3 318.461 2.299 20 0 DEADHO C[C@@H]1CCN(C(=O)NCCCC[NH3+])CCN1Cc1ccccc1 ZINC000418504813 533960941 /nfs/dbraw/zinc/96/09/41/533960941.db2.gz BEQQEPYSCOJAGB-MRXNPFEDSA-N 1 3 318.465 2.031 20 0 DEADHO COc1cc(Cl)ccc1[C@H](C)NCC1(O)CC[NH+](C)CC1 ZINC000421828421 533963456 /nfs/dbraw/zinc/96/34/56/533963456.db2.gz CPSTXGSJASVNTM-LBPRGKRZSA-N 1 3 312.841 2.456 20 0 DEADHO C[C@@H](CN(C)[C@H](CO)C(C)(C)C)C[N@H+](C)[C@@H](CO)C(C)(C)C ZINC000441055814 534030175 /nfs/dbraw/zinc/03/01/75/534030175.db2.gz BEENKFRQLPIZFZ-MUJYYYPQSA-N 1 3 316.530 2.300 20 0 DEADHO C[C@@H](CN(C)[C@H](CO)C(C)(C)C)C[N@@H+](C)[C@@H](CO)C(C)(C)C ZINC000441055814 534030180 /nfs/dbraw/zinc/03/01/80/534030180.db2.gz BEENKFRQLPIZFZ-MUJYYYPQSA-N 1 3 316.530 2.300 20 0 DEADHO C[C@H](CN(C)[C@@H](CO)C(C)(C)C)C[N@H+](C)[C@H](CO)C(C)(C)C ZINC000441055814 534030189 /nfs/dbraw/zinc/03/01/89/534030189.db2.gz BEENKFRQLPIZFZ-MUJYYYPQSA-N 1 3 316.530 2.300 20 0 DEADHO C[C@H](CN(C)[C@@H](CO)C(C)(C)C)C[N@@H+](C)[C@H](CO)C(C)(C)C ZINC000441055814 534030196 /nfs/dbraw/zinc/03/01/96/534030196.db2.gz BEENKFRQLPIZFZ-MUJYYYPQSA-N 1 3 316.530 2.300 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@H]1NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000423098917 534102595 /nfs/dbraw/zinc/10/25/95/534102595.db2.gz DKFUYCKYECMMHX-DNVCBOLYSA-N 1 3 317.477 2.247 20 0 DEADHO C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000417312762 534184488 /nfs/dbraw/zinc/18/44/88/534184488.db2.gz SYOQBQGRBZGKCA-ZOBUZTSGSA-N 1 3 318.465 2.076 20 0 DEADHO COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)N ZINC000423028000 534204058 /nfs/dbraw/zinc/20/40/58/534204058.db2.gz SFEUGSJUSRPDGL-KLHDSHLOSA-N 1 3 322.449 2.052 20 0 DEADHO C[C@H](NC(=O)N1CCCC[C@H]1C[NH3+])[C@H](c1ccccc1)N(C)C ZINC000418193762 534210955 /nfs/dbraw/zinc/21/09/55/534210955.db2.gz ZTNSKYZRGFZCCM-BHYGNILZSA-N 1 3 318.465 2.201 20 0 DEADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCCN1CCCCC1 ZINC000422814664 534502994 /nfs/dbraw/zinc/50/29/94/534502994.db2.gz VVKHXVBHXQTAMB-PKOBYXMFSA-N 1 3 315.461 2.318 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NCCC[NH2+]C1CCCCC1 ZINC000111882866 521600329 /nfs/dbraw/zinc/60/03/29/521600329.db2.gz WGXUUMYLRDJFKV-KRWDZBQOSA-N 1 3 324.513 2.472 20 0 DEADHO NC[C@@H](NC(=O)[C@@H]1CC12CC[NH2+]CC2)c1ccc2ccccc2c1 ZINC000295042118 534673583 /nfs/dbraw/zinc/67/35/83/534673583.db2.gz OWCWHINGMALRAG-ZWKOTPCHSA-N 1 3 323.440 2.346 20 0 DEADHO Cc1cccc(C)c1OCCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)N ZINC000422949139 534680954 /nfs/dbraw/zinc/68/09/54/534680954.db2.gz SXPMVNGEAHTRFF-BRWVUGGUSA-N 1 3 306.450 2.414 20 0 DEADHO Cc1cccc(C)c1OCCCN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000422949139 534680960 /nfs/dbraw/zinc/68/09/60/534680960.db2.gz SXPMVNGEAHTRFF-BRWVUGGUSA-N 1 3 306.450 2.414 20 0 DEADHO C[C@@H]1CCCCN1CCNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106501955 524107816 /nfs/dbraw/zinc/10/78/16/524107816.db2.gz HZPSOGZKHKPSOW-HZPDHXFCSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H]1CCCCN1CCNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106501955 524107828 /nfs/dbraw/zinc/10/78/28/524107828.db2.gz HZPSOGZKHKPSOW-HZPDHXFCSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000248994902 524852616 /nfs/dbraw/zinc/85/26/16/524852616.db2.gz HQUAZIAIMHGEJL-WBTNSWJXSA-N 1 3 303.450 2.139 20 0 DEADHO C[C@@H]([NH2+]CCn1ccnc1)c1ccc(OCCN(C)C)cc1 ZINC000155637013 525470713 /nfs/dbraw/zinc/47/07/13/525470713.db2.gz WKYLYXSMTVKLIE-OAHLLOKOSA-N 1 3 302.422 2.174 20 0 DEADHO C[C@H]1CCCCN1CCNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106501958 526250709 /nfs/dbraw/zinc/25/07/09/526250709.db2.gz HZPSOGZKHKPSOW-JKSUJKDBSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@H]1CCCCN1CCNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106501958 526250713 /nfs/dbraw/zinc/25/07/13/526250713.db2.gz HZPSOGZKHKPSOW-JKSUJKDBSA-N 1 3 322.497 2.177 20 0 DEADHO CC(C)(C(=O)NCC[C@H]1CCC[NH2+]C1)[C@@H](N)c1ccccc1 ZINC000417787456 527520449 /nfs/dbraw/zinc/52/04/49/527520449.db2.gz DTEYUNKOYAPJEU-ZBFHGGJFSA-N 1 3 303.450 2.219 20 0 DEADHO CC(C)CC1(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000442023095 527684883 /nfs/dbraw/zinc/68/48/83/527684883.db2.gz CLNMUSHRXGHXPI-UHFFFAOYSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CN(CCN(C)C)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418371593 527940629 /nfs/dbraw/zinc/94/06/29/527940629.db2.gz XVEHDSARFLWOKK-MRXNPFEDSA-N 1 3 312.502 2.123 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000422175494 527983803 /nfs/dbraw/zinc/98/38/03/527983803.db2.gz ALIAJMQDYXUBIB-SJORKVTESA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000422175494 527983809 /nfs/dbraw/zinc/98/38/09/527983809.db2.gz ALIAJMQDYXUBIB-SJORKVTESA-N 1 3 324.513 2.090 20 0 DEADHO CC1(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000193395583 528027838 /nfs/dbraw/zinc/02/78/38/528027838.db2.gz KKJNFWUZULKQBI-QGZVFWFLSA-N 1 3 315.461 2.157 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000418317611 528132215 /nfs/dbraw/zinc/13/22/15/528132215.db2.gz MXMRGOBMHDMNBF-PBHICJAKSA-N 1 3 318.465 2.109 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)CC[C@@H]2CCC[NH2+]2)cc1 ZINC000295243554 528141975 /nfs/dbraw/zinc/14/19/75/528141975.db2.gz SWPDQJSTFCCJAP-DLBZAZTESA-N 1 3 303.450 2.458 20 0 DEADHO CCCN1CCC[C@H]1CNC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000418181998 528233389 /nfs/dbraw/zinc/23/33/89/528233389.db2.gz JPNHQNZVISYGBC-KRWDZBQOSA-N 1 3 324.513 2.411 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)N1C[C@H](C)NC[C@H]1C)CC(C)C ZINC000416961417 528273292 /nfs/dbraw/zinc/27/32/92/528273292.db2.gz SDCGDEHHKNTQTN-XHSDSOJGSA-N 1 3 312.502 2.135 20 0 DEADHO CCN(CCN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])c1ccccc1C ZINC000422888050 528516434 /nfs/dbraw/zinc/51/64/34/528516434.db2.gz ZWXJJNVWSLDICE-GVDBMIGSSA-N 1 3 305.466 2.163 20 0 DEADHO CC(C)[C@@H]([NH3+])CNC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418405508 528526359 /nfs/dbraw/zinc/52/63/59/528526359.db2.gz LFBJYDNKKCYPTJ-DLBZAZTESA-N 1 3 314.433 2.122 20 0 DEADHO CCOC(=O)C1([C@@H](C)N[C@H](C)c2ccccn2)CC[NH2+]CC1 ZINC000422741653 528609853 /nfs/dbraw/zinc/60/98/53/528609853.db2.gz FDKZPXMRCXGXGX-ZIAGYGMSSA-N 1 3 305.422 2.054 20 0 DEADHO CCCC[C@@H](C[NH3+])NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000418451288 528804321 /nfs/dbraw/zinc/80/43/21/528804321.db2.gz VNPPFARFTZITNO-CGZBRXJRSA-N 1 3 324.513 2.410 20 0 DEADHO CCCC[C@H](C[NH3+])NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000418451287 528937321 /nfs/dbraw/zinc/93/73/21/528937321.db2.gz VNPPFARFTZITNO-AQFXKWCLSA-N 1 3 324.513 2.410 20 0 DEADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000417309517 528942753 /nfs/dbraw/zinc/94/27/53/528942753.db2.gz ISVKRBPPMOZXST-IAGOWNOFSA-N 1 3 320.481 2.414 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN(C2CCC2)C2CCC2)CC1 ZINC000429174013 528994344 /nfs/dbraw/zinc/99/43/44/528994344.db2.gz PCMWJRFWMONABI-UHFFFAOYSA-N 1 3 307.482 2.382 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](N)c2ccccc2)C1 ZINC000417538628 529013227 /nfs/dbraw/zinc/01/32/27/529013227.db2.gz DHGOSBYFDTWCHR-RDJZCZTQSA-N 1 3 318.465 2.106 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](N)c2ccccc2)C1 ZINC000417538628 529013232 /nfs/dbraw/zinc/01/32/32/529013232.db2.gz DHGOSBYFDTWCHR-RDJZCZTQSA-N 1 3 318.465 2.106 20 0 DEADHO CCN1CCN(Cc2ccc(N[C@@H]3CCC[C@@H]3[NH3+])cc2)CC1 ZINC000422916780 529149395 /nfs/dbraw/zinc/14/93/95/529149395.db2.gz FAVOWTBAFZOAPM-ZWKOTPCHSA-N 1 3 302.466 2.116 20 0 DEADHO CCS(=O)(=O)c1ccc(CNC2CCC(C[NH3+])CC2)s1 ZINC000423085736 529156260 /nfs/dbraw/zinc/15/62/60/529156260.db2.gz LGZAZOOBROLGKP-UHFFFAOYSA-N 1 3 316.492 2.149 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000417696036 529272727 /nfs/dbraw/zinc/27/27/27/529272727.db2.gz GKVJUPGIWLWEEC-OWCLPIDISA-N 1 3 310.486 2.020 20 0 DEADHO CCC[NH2+][C@@H](C)C(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000449111905 535184520 /nfs/dbraw/zinc/18/45/20/535184520.db2.gz ATDOARISYYOKOI-HNNXBMFYSA-N 1 3 305.466 2.485 20 0 DEADHO CC(C)N1CCN(C2CC[NH+](C[C@H]3CCCCO3)CC2)CC1 ZINC000371348342 535197053 /nfs/dbraw/zinc/19/70/53/535197053.db2.gz AFQSCNFFABNDMK-GOSISDBHSA-N 1 3 309.498 2.046 20 0 DEADHO CCCc1cccc(C[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)c1 ZINC000359085339 535432885 /nfs/dbraw/zinc/43/28/85/535432885.db2.gz SMQKEENEZZFUJT-GOSISDBHSA-N 1 3 317.477 2.316 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2)c1ccsc1 ZINC000372440173 535677078 /nfs/dbraw/zinc/67/70/78/535677078.db2.gz WWWPCZUDKVLFSP-BFYDXBDKSA-N 1 3 321.490 2.247 20 0 DEADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccncc2F)CC1 ZINC000340231084 535719492 /nfs/dbraw/zinc/71/94/92/535719492.db2.gz JUSBMKZQFMFYGE-CABCVRRESA-N 1 3 308.445 2.145 20 0 DEADHO CN(C)CCN(C(=O)NCC1([NH+](C)C)CCCC1)C1CCCC1 ZINC000344421244 535843204 /nfs/dbraw/zinc/84/32/04/535843204.db2.gz QMXOQBDFFHLCSQ-UHFFFAOYSA-N 1 3 324.513 2.377 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000355817474 536025536 /nfs/dbraw/zinc/02/55/36/536025536.db2.gz BBHGDVXHQZYIOV-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)C[C@H]1COCCO1 ZINC000450652989 536323684 /nfs/dbraw/zinc/32/36/84/536323684.db2.gz ONLLSMALPIOUQR-SFHVURJKSA-N 1 3 319.449 2.035 20 0 DEADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)C[C@H]1COCCO1 ZINC000450652989 536323686 /nfs/dbraw/zinc/32/36/86/536323686.db2.gz ONLLSMALPIOUQR-SFHVURJKSA-N 1 3 319.449 2.035 20 0 DEADHO CC(C)N(CC[N@H+](C)CC1CC(C)C1)C(=O)[C@@H]1CCCN1C ZINC001426103495 1174595033 /nfs/dbraw/zinc/59/50/33/1174595033.db2.gz JDYDOZOIZWUWKL-JCYILVPMSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)N(CC[N@@H+](C)CC1CC(C)C1)C(=O)[C@@H]1CCCN1C ZINC001426103495 1174595038 /nfs/dbraw/zinc/59/50/38/1174595038.db2.gz JDYDOZOIZWUWKL-JCYILVPMSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1CC1)C(C)(C)C ZINC001426133759 1174610311 /nfs/dbraw/zinc/61/03/11/1174610311.db2.gz GLCFXWACCNRXFJ-HZPDHXFCSA-N 1 3 309.498 2.390 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+][C@@H]2CCC[C@@H]2CCO)CC1 ZINC001414145216 1152573167 /nfs/dbraw/zinc/57/31/67/1152573167.db2.gz LAWMYDZSTCOTLP-RZZCCWGQSA-N 1 3 310.482 2.161 20 0 DEADHO CN(CC[N@H+](C)CC1CC2(CCC2)C1)C(=O)CN1CCCC1 ZINC001379131944 1152577667 /nfs/dbraw/zinc/57/76/67/1152577667.db2.gz NNICQSNIQWFQIM-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO CN(CC[N@@H+](C)CC1CC2(CCC2)C1)C(=O)CN1CCCC1 ZINC001379131944 1152577669 /nfs/dbraw/zinc/57/76/69/1152577669.db2.gz NNICQSNIQWFQIM-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1cccc(C)c1)N(C)C ZINC001368740621 1148630366 /nfs/dbraw/zinc/63/03/66/1148630366.db2.gz FFRQFGMBOGUZHV-RDJZCZTQSA-N 1 3 305.466 2.320 20 0 DEADHO Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)C2(N(C)C)CCC2)cs1 ZINC001379148395 1152581758 /nfs/dbraw/zinc/58/17/58/1152581758.db2.gz OSMYLAQCXDJYHK-CYBMUJFWSA-N 1 3 323.506 2.477 20 0 DEADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]CCc1cccs1 ZINC001379147513 1152581999 /nfs/dbraw/zinc/58/19/99/1152581999.db2.gz NUMBAYMOAOWPKW-AWEZNQCLSA-N 1 3 323.506 2.211 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]C(C)C)N(C)C ZINC001368781961 1148654706 /nfs/dbraw/zinc/65/47/06/1148654706.db2.gz XYNJWJQHWAZIMA-IXDOHACOSA-N 1 3 303.450 2.107 20 0 DEADHO CC/C=C\CC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001327866308 1148662368 /nfs/dbraw/zinc/66/23/68/1148662368.db2.gz ATLFQSJHAZMFEE-HXHJPBPVSA-N 1 3 307.482 2.264 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001380204627 1152767625 /nfs/dbraw/zinc/76/76/25/1152767625.db2.gz LAHBERZIBGAZPD-SFHVURJKSA-N 1 3 307.482 2.053 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001380204627 1152767628 /nfs/dbraw/zinc/76/76/28/1152767628.db2.gz LAHBERZIBGAZPD-SFHVURJKSA-N 1 3 307.482 2.053 20 0 DEADHO C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824577302 609167267 /nfs/dbraw/zinc/16/72/67/609167267.db2.gz JMMOBGOKBCCARV-ZDUSSCGKSA-N 1 3 314.437 2.249 20 0 DEADHO C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824577302 609167268 /nfs/dbraw/zinc/16/72/68/609167268.db2.gz JMMOBGOKBCCARV-ZDUSSCGKSA-N 1 3 314.437 2.249 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN(Cc3ccsc3)C2)C1 ZINC001023749912 625421368 /nfs/dbraw/zinc/42/13/68/625421368.db2.gz CPAUHPHBHZSPOT-HOCLYGCPSA-N 1 3 321.490 2.028 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN(Cc3ccsc3)C2)C1 ZINC001023749912 625421369 /nfs/dbraw/zinc/42/13/69/625421369.db2.gz CPAUHPHBHZSPOT-HOCLYGCPSA-N 1 3 321.490 2.028 20 0 DEADHO O[C@@H](CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)Cc1ccccc1 ZINC000925671337 625590607 /nfs/dbraw/zinc/59/06/07/625590607.db2.gz PGBNMYLLJAHABO-GUDVDZBRSA-N 1 3 302.462 2.348 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(CC=C(C)C)C2)CC[N@@H+]1C ZINC000969705782 622890940 /nfs/dbraw/zinc/89/09/40/622890940.db2.gz DITVMKYBESODSO-HYVNUMGLSA-N 1 3 307.482 2.119 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(CC=C(C)C)C2)CC[N@H+]1C ZINC000969705782 622890944 /nfs/dbraw/zinc/89/09/44/622890944.db2.gz DITVMKYBESODSO-HYVNUMGLSA-N 1 3 307.482 2.119 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CC2=CCCCC2)C1)N(C)C ZINC000969845722 622948518 /nfs/dbraw/zinc/94/85/18/622948518.db2.gz GWJYUDWKIRGXDQ-IAGOWNOFSA-N 1 3 307.482 2.264 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000969947197 623014791 /nfs/dbraw/zinc/01/47/91/623014791.db2.gz BKSLSGFEOSWHIM-RHSMWYFYSA-N 1 3 319.424 2.001 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001021254580 623455772 /nfs/dbraw/zinc/45/57/72/623455772.db2.gz QCEJVTICJXJWQB-HMQMGEFJSA-N 1 3 307.482 2.379 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001021254580 623455775 /nfs/dbraw/zinc/45/57/75/623455775.db2.gz QCEJVTICJXJWQB-HMQMGEFJSA-N 1 3 307.482 2.379 20 0 DEADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1C ZINC000970717980 623640048 /nfs/dbraw/zinc/64/00/48/623640048.db2.gz QUQMKYOXKVJBFS-GOSISDBHSA-N 1 3 315.461 2.090 20 0 DEADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(CC2=CCCCC2)C1 ZINC000970744670 623655687 /nfs/dbraw/zinc/65/56/87/623655687.db2.gz GQYAYPLDCNNAKY-OAHLLOKOSA-N 1 3 317.477 2.019 20 0 DEADHO CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021667596 623923392 /nfs/dbraw/zinc/92/33/92/623923392.db2.gz GBOMWCKJKGUSIY-IRXDYDNUSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021667596 623923394 /nfs/dbraw/zinc/92/33/94/623923394.db2.gz GBOMWCKJKGUSIY-IRXDYDNUSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021679711 623946999 /nfs/dbraw/zinc/94/69/99/623946999.db2.gz RGBMVABFFIHWNA-DOTOQJQBSA-N 1 3 318.465 2.311 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021679711 623947003 /nfs/dbraw/zinc/94/70/03/623947003.db2.gz RGBMVABFFIHWNA-DOTOQJQBSA-N 1 3 318.465 2.311 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021680655 623950456 /nfs/dbraw/zinc/95/04/56/623950456.db2.gz YYVVJBAMYDRYCT-NVXWUHKLSA-N 1 3 316.449 2.231 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021680655 623950463 /nfs/dbraw/zinc/95/04/63/623950463.db2.gz YYVVJBAMYDRYCT-NVXWUHKLSA-N 1 3 316.449 2.231 20 0 DEADHO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000926119495 623991994 /nfs/dbraw/zinc/99/19/94/623991994.db2.gz KQYDLEBNWKGSOV-QXSJWSMHSA-N 1 3 307.482 2.286 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC000971202022 624068633 /nfs/dbraw/zinc/06/86/33/624068633.db2.gz RYUBPTSVTYQTLC-HZPDHXFCSA-N 1 3 307.482 2.050 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC000971202022 624068634 /nfs/dbraw/zinc/06/86/34/624068634.db2.gz RYUBPTSVTYQTLC-HZPDHXFCSA-N 1 3 307.482 2.050 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CC2=CCCCC2)C1 ZINC000971204915 624070190 /nfs/dbraw/zinc/07/01/90/624070190.db2.gz QWYZHTCKQCOWEV-DLBZAZTESA-N 1 3 305.466 2.114 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC000971204915 624070194 /nfs/dbraw/zinc/07/01/94/624070194.db2.gz QWYZHTCKQCOWEV-DLBZAZTESA-N 1 3 305.466 2.114 20 0 DEADHO Cc1cc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cs1 ZINC001026734480 625703851 /nfs/dbraw/zinc/70/38/51/625703851.db2.gz OCTPCJOURQMKEG-ZBFHGGJFSA-N 1 3 321.490 2.089 20 0 DEADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](N)CC2CC2)cc1 ZINC000319517005 625710157 /nfs/dbraw/zinc/71/01/57/625710157.db2.gz DAMUBPVBHBTIMA-QGZVFWFLSA-N 1 3 303.450 2.272 20 0 DEADHO CC(C)([NH3+])CCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000891557891 624476845 /nfs/dbraw/zinc/47/68/45/624476845.db2.gz VZAUBXMHYPFYQQ-INIZCTEOSA-N 1 3 318.465 2.078 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC2CCCCC2)C1)N(C)C ZINC000971779789 624546167 /nfs/dbraw/zinc/54/61/67/624546167.db2.gz TUKORGZEYBBTOE-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2CCCCC2)C1)N(C)C ZINC000971779789 624546171 /nfs/dbraw/zinc/54/61/71/624546171.db2.gz TUKORGZEYBBTOE-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO COc1cncc(/C=C\CCN2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c1 ZINC000933734714 624610014 /nfs/dbraw/zinc/61/00/14/624610014.db2.gz VOBBIMOXIXNWII-BYVBVCRGSA-N 1 3 301.434 2.377 20 0 DEADHO COc1cncc(/C=C\CCN2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c1 ZINC000933734714 624610017 /nfs/dbraw/zinc/61/00/17/624610017.db2.gz VOBBIMOXIXNWII-BYVBVCRGSA-N 1 3 301.434 2.377 20 0 DEADHO CN(C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)[C@@H]1CCCN(C)C1 ZINC000891888091 624646879 /nfs/dbraw/zinc/64/68/79/624646879.db2.gz DAVZNBIKKWKDED-IAGOWNOFSA-N 1 3 324.513 2.233 20 0 DEADHO CN(C(=O)NCCC[N@H+](C)C1CCCCC1)[C@@H]1CCCN(C)C1 ZINC000891893925 624649500 /nfs/dbraw/zinc/64/95/00/624649500.db2.gz YVJDWWUCPRHOKT-QGZVFWFLSA-N 1 3 324.513 2.377 20 0 DEADHO CN(C(=O)NCCC[N@@H+](C)C1CCCCC1)[C@@H]1CCCN(C)C1 ZINC000891893925 624649501 /nfs/dbraw/zinc/64/95/01/624649501.db2.gz YVJDWWUCPRHOKT-QGZVFWFLSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc2c1OCO2 ZINC000926356688 624789985 /nfs/dbraw/zinc/78/99/85/624789985.db2.gz JDOASWNPQMWYRF-AWEZNQCLSA-N 1 3 319.449 2.092 20 0 DEADHO CC1(C)CC(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001022716712 624869759 /nfs/dbraw/zinc/86/97/59/624869759.db2.gz GHWIUDNZEZFOHD-IYBDPMFKSA-N 1 3 321.509 2.391 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)CC2CCCC2)C1 ZINC000972333224 624932567 /nfs/dbraw/zinc/93/25/67/624932567.db2.gz UVBGCNPBXZZHNJ-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)CC2CCCC2)C1 ZINC000972333224 624932568 /nfs/dbraw/zinc/93/25/68/624932568.db2.gz UVBGCNPBXZZHNJ-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC2=CCCCC2)C1)N(C)C ZINC000972354260 624939057 /nfs/dbraw/zinc/93/90/57/624939057.db2.gz LEQQCRJVLSXYEO-IRXDYDNUSA-N 1 3 307.482 2.360 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC2=CCCCC2)C1)N(C)C ZINC000972354260 624939060 /nfs/dbraw/zinc/93/90/60/624939060.db2.gz LEQQCRJVLSXYEO-IRXDYDNUSA-N 1 3 307.482 2.360 20 0 DEADHO C[N@H+](CCC1=CCCCC1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972426617 625072624 /nfs/dbraw/zinc/07/26/24/625072624.db2.gz PFAWAWQGQFNCQN-KRWDZBQOSA-N 1 3 316.449 2.375 20 0 DEADHO C[N@@H+](CCC1=CCCCC1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972426617 625072630 /nfs/dbraw/zinc/07/26/30/625072630.db2.gz PFAWAWQGQFNCQN-KRWDZBQOSA-N 1 3 316.449 2.375 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1)N(C)C ZINC001024998679 625131856 /nfs/dbraw/zinc/13/18/56/625131856.db2.gz ILLOQJQDJNFOJC-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001023025051 625138624 /nfs/dbraw/zinc/13/86/24/625138624.db2.gz SCRQKGRVJQXSLA-GASCZTMLSA-N 1 3 304.438 2.078 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001025084834 625200225 /nfs/dbraw/zinc/20/02/25/625200225.db2.gz JAHJADXTYMYJOL-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO COc1ccc(-n2ccc(CNCC3CC[NH+](C)CC3)n2)cc1 ZINC000892929556 625723365 /nfs/dbraw/zinc/72/33/65/625723365.db2.gz QBVKJCOFIWQVCD-UHFFFAOYSA-N 1 3 314.433 2.312 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N(C)C1CC([NH2+]Cc2ccsc2)C1 ZINC000999405308 634586309 /nfs/dbraw/zinc/58/63/09/634586309.db2.gz FQHGFUDHSSXHHI-IUDNXUCKSA-N 1 3 321.490 2.311 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001000217532 634795471 /nfs/dbraw/zinc/79/54/71/634795471.db2.gz HMDSNJZMVOGYDI-IRXDYDNUSA-N 1 3 321.440 2.247 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CC2CCC2)C(C)(C)C1)N(C)C ZINC000995924704 633140535 /nfs/dbraw/zinc/14/05/35/633140535.db2.gz JDXRDLFIJALRKG-CVEARBPZSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)=CCN1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974589072 633161153 /nfs/dbraw/zinc/16/11/53/633161153.db2.gz SKEVBOOHNUSGCW-OAGGEKHMSA-N 1 3 307.482 2.119 20 0 DEADHO CC(C)=CCN1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974589072 633161156 /nfs/dbraw/zinc/16/11/56/633161156.db2.gz SKEVBOOHNUSGCW-OAGGEKHMSA-N 1 3 307.482 2.119 20 0 DEADHO C[C@H](CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000925701975 633172708 /nfs/dbraw/zinc/17/27/08/633172708.db2.gz IUSXEAJQQJSGOH-SMYFESCOSA-N 1 3 323.525 2.242 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+]CC3=CCCCC3)C2)CCC1 ZINC001026885875 633241354 /nfs/dbraw/zinc/24/13/54/633241354.db2.gz OFDDDDSCMMMHSC-KRWDZBQOSA-N 1 3 319.493 2.409 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C)cc2)C1)N(C)C ZINC001026916887 633262699 /nfs/dbraw/zinc/26/26/99/633262699.db2.gz QMIJPCRAEWHDCZ-ZWKOTPCHSA-N 1 3 317.477 2.273 20 0 DEADHO CC1CC(C[NH2+]C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC000996665648 633341458 /nfs/dbraw/zinc/34/14/58/633341458.db2.gz NWXPMHMEEMWLPL-UHFFFAOYSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[NH2+]C[C@@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027064378 633385257 /nfs/dbraw/zinc/38/52/57/633385257.db2.gz CMXLEFRALJZDGU-YOEHRIQHSA-N 1 3 313.461 2.045 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H](C[NH2+]CC3CCCC3)C2)CC1 ZINC001027139422 633455415 /nfs/dbraw/zinc/45/54/15/633455415.db2.gz IJAFQEGMESQPTA-GOSISDBHSA-N 1 3 321.509 2.347 20 0 DEADHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001027217966 633500735 /nfs/dbraw/zinc/50/07/35/633500735.db2.gz UKZASANDVJSSDX-QGZVFWFLSA-N 1 3 305.466 2.021 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]Cc3ccsc3)CC2)C1 ZINC000997007914 633560325 /nfs/dbraw/zinc/56/03/25/633560325.db2.gz RSZGWOGZJDJOLR-CQSZACIVSA-N 1 3 321.490 2.171 20 0 DEADHO CC1CCC(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000997307822 633705312 /nfs/dbraw/zinc/70/53/12/633705312.db2.gz WSBLPTGSQHRWFU-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]([N@H+](C)CC2CCC2)C1)C1CCC1 ZINC001027442503 633795905 /nfs/dbraw/zinc/79/59/05/633795905.db2.gz WCYSMRNONLDXAM-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC2)C1)C1CCC1 ZINC001027442503 633795910 /nfs/dbraw/zinc/79/59/10/633795910.db2.gz WCYSMRNONLDXAM-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO COc1ccc([C@@H](CCn2cncn2)NCCC(C)(C)[NH3+])cc1 ZINC000925739352 634320932 /nfs/dbraw/zinc/32/09/32/634320932.db2.gz WFRUEWZKKNXAAK-MRXNPFEDSA-N 1 3 317.437 2.135 20 0 DEADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]CC2CC(C)(C)C2)C1 ZINC000998548935 634323691 /nfs/dbraw/zinc/32/36/91/634323691.db2.gz IYFYHKKXBYKKSK-UYSNPLJNSA-N 1 3 307.482 2.096 20 0 DEADHO Cc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCN3C)C2)cc1 ZINC000998555963 634325287 /nfs/dbraw/zinc/32/52/87/634325287.db2.gz JPIUVIFTDOGRDF-DAWZGUTISA-N 1 3 315.461 2.168 20 0 DEADHO CN(C)CC1(C[NH2+][C@H]2CCC3(C[C@H]2F)OCCO3)CCCC1 ZINC000893589191 634888254 /nfs/dbraw/zinc/88/82/54/634888254.db2.gz ZNANICNDYFFGGV-CABCVRRESA-N 1 3 314.445 2.332 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001000321699 635139940 /nfs/dbraw/zinc/13/99/40/635139940.db2.gz VATOHBRPLSJXGJ-HNNXBMFYSA-N 1 3 304.438 2.113 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC1=CC[N@@H+](C(C)C)CC1 ZINC001001230169 635432078 /nfs/dbraw/zinc/43/20/78/635432078.db2.gz SOTIWHHCAXEYSC-KRWDZBQOSA-N 1 3 307.482 2.406 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC1=CC[N@H+](C(C)C)CC1 ZINC001001230169 635432083 /nfs/dbraw/zinc/43/20/83/635432083.db2.gz SOTIWHHCAXEYSC-KRWDZBQOSA-N 1 3 307.482 2.406 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC000981486235 635500128 /nfs/dbraw/zinc/50/01/28/635500128.db2.gz MWZAELLTBLFFBK-HZPDHXFCSA-N 1 3 318.465 2.468 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCCN(CC2CC2)CC1 ZINC000981523484 635514950 /nfs/dbraw/zinc/51/49/50/635514950.db2.gz RIZLWSGPJJJOFT-KRWDZBQOSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCCN(CC2CC2)CC1 ZINC000981523484 635514953 /nfs/dbraw/zinc/51/49/53/635514953.db2.gz RIZLWSGPJJJOFT-KRWDZBQOSA-N 1 3 307.482 2.051 20 0 DEADHO CC1CC(C[N@@H+]2CCCN(C(=O)C(C)(C)N3CCCC3)CC2)C1 ZINC000981743329 635623409 /nfs/dbraw/zinc/62/34/09/635623409.db2.gz XLFKXKPKBABJKZ-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC1CC(C[N@H+]2CCCN(C(=O)C(C)(C)N3CCCC3)CC2)C1 ZINC000981743329 635623412 /nfs/dbraw/zinc/62/34/12/635623412.db2.gz XLFKXKPKBABJKZ-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)=CC[N@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC000981812685 635666999 /nfs/dbraw/zinc/66/69/99/635666999.db2.gz UAQBWOUGXHTXHQ-KRWDZBQOSA-N 1 3 319.493 2.217 20 0 DEADHO CC(C)=CC[N@@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC000981812685 635667004 /nfs/dbraw/zinc/66/70/04/635667004.db2.gz UAQBWOUGXHTXHQ-KRWDZBQOSA-N 1 3 319.493 2.217 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[N@H+](CC2CC2)CC1 ZINC000982081451 635863457 /nfs/dbraw/zinc/86/34/57/635863457.db2.gz QRDGWLZFOPAQSH-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[N@@H+](CC2CC2)CC1 ZINC000982081451 635863460 /nfs/dbraw/zinc/86/34/60/635863460.db2.gz QRDGWLZFOPAQSH-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC000982276629 635936996 /nfs/dbraw/zinc/93/69/96/635936996.db2.gz XIBINTPLMSDVEI-NXHRZFHOSA-N 1 3 307.482 2.050 20 0 DEADHO CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC000982276629 635937000 /nfs/dbraw/zinc/93/70/00/635937000.db2.gz XIBINTPLMSDVEI-NXHRZFHOSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cncn1C(C)C)C2 ZINC000922391406 636153569 /nfs/dbraw/zinc/15/35/69/636153569.db2.gz WBBPAWVAQCRPCN-ZJPYXAASSA-N 1 3 320.481 2.033 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cncn1C(C)C)C2 ZINC000922391406 636153573 /nfs/dbraw/zinc/15/35/73/636153573.db2.gz WBBPAWVAQCRPCN-ZJPYXAASSA-N 1 3 320.481 2.033 20 0 DEADHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cncn1C(C)C)C2 ZINC000922391405 636154173 /nfs/dbraw/zinc/15/41/73/636154173.db2.gz WBBPAWVAQCRPCN-TVFCKZIOSA-N 1 3 320.481 2.033 20 0 DEADHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cncn1C(C)C)C2 ZINC000922391405 636154177 /nfs/dbraw/zinc/15/41/77/636154177.db2.gz WBBPAWVAQCRPCN-TVFCKZIOSA-N 1 3 320.481 2.033 20 0 DEADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cncs3)C2)[C@@H]1C(C)C ZINC000922392338 636154875 /nfs/dbraw/zinc/15/48/75/636154875.db2.gz CYKULGMDCKEURA-WCVJEAGWSA-N 1 3 309.479 2.103 20 0 DEADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cncs3)C2)[C@@H]1C(C)C ZINC000922392338 636154878 /nfs/dbraw/zinc/15/48/78/636154878.db2.gz CYKULGMDCKEURA-WCVJEAGWSA-N 1 3 309.479 2.103 20 0 DEADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3scnc3C)C2)[C@@H]1C(C)C ZINC000922396081 636157622 /nfs/dbraw/zinc/15/76/22/636157622.db2.gz ZYZSRZREIWQTES-JHNDHUHGSA-N 1 3 323.506 2.411 20 0 DEADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3scnc3C)C2)[C@@H]1C(C)C ZINC000922396081 636157623 /nfs/dbraw/zinc/15/76/23/636157623.db2.gz ZYZSRZREIWQTES-JHNDHUHGSA-N 1 3 323.506 2.411 20 0 DEADHO CCO[C@H](C[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C)CN(C)C ZINC000922757652 636381227 /nfs/dbraw/zinc/38/12/27/636381227.db2.gz IVAGPAHWIBWNLO-UHOSZYNNSA-N 1 3 319.493 2.063 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001004548198 636484531 /nfs/dbraw/zinc/48/45/31/636484531.db2.gz QLNWCTMWQYIBLM-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001004548198 636484533 /nfs/dbraw/zinc/48/45/33/636484533.db2.gz QLNWCTMWQYIBLM-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001004547417 636484637 /nfs/dbraw/zinc/48/46/37/636484637.db2.gz MUZKSAUVVVYPAM-RDJZCZTQSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001004547417 636484639 /nfs/dbraw/zinc/48/46/39/636484639.db2.gz MUZKSAUVVVYPAM-RDJZCZTQSA-N 1 3 307.482 2.194 20 0 DEADHO COCC[NH+]1CCC(NCc2c[nH]nc2-c2ccc(C)o2)CC1 ZINC000237122174 636500755 /nfs/dbraw/zinc/50/07/55/636500755.db2.gz CHMVPZKJAOOATN-UHFFFAOYSA-N 1 3 318.421 2.179 20 0 DEADHO Cn1nc2c(c1CN1CCCC3(CC[NH+](C)CC3)C1)CCC2 ZINC000894231060 636511090 /nfs/dbraw/zinc/51/10/90/636511090.db2.gz LJWXRXSUARYZIB-UHFFFAOYSA-N 1 3 302.466 2.217 20 0 DEADHO CCC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776311 636644404 /nfs/dbraw/zinc/64/44/04/636644404.db2.gz LFLWTCWMDGINQM-CALCHBBNSA-N 1 3 321.509 2.299 20 0 DEADHO CCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776311 636644408 /nfs/dbraw/zinc/64/44/08/636644408.db2.gz LFLWTCWMDGINQM-CALCHBBNSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1cn2c(n1)CCCC2 ZINC000925021938 636883357 /nfs/dbraw/zinc/88/33/57/636883357.db2.gz CHTOAJCAAIQMCQ-JKSUJKDBSA-N 1 3 320.481 2.107 20 0 DEADHO C[C@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1cn2c(n1)CCCC2 ZINC000925021938 636883359 /nfs/dbraw/zinc/88/33/59/636883359.db2.gz CHTOAJCAAIQMCQ-JKSUJKDBSA-N 1 3 320.481 2.107 20 0 DEADHO CN(C)CC[N@H+](C)CCCN(C)Cc1nccc2c1CCCC2 ZINC000894523464 637088896 /nfs/dbraw/zinc/08/88/96/637088896.db2.gz GQEAQEPWUPNTLQ-UHFFFAOYSA-N 1 3 318.509 2.276 20 0 DEADHO CN(C)CC[N@@H+](C)CCCN(C)Cc1nccc2c1CCCC2 ZINC000894523464 637088898 /nfs/dbraw/zinc/08/88/98/637088898.db2.gz GQEAQEPWUPNTLQ-UHFFFAOYSA-N 1 3 318.509 2.276 20 0 DEADHO CN(Cc1ccc(OC(F)F)cc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923298645 637098885 /nfs/dbraw/zinc/09/88/85/637098885.db2.gz YADPGANPNRKRNS-CQSZACIVSA-N 1 3 312.360 2.098 20 0 DEADHO CC(C)Oc1cccc(CN(C)C[C@@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923372599 637137763 /nfs/dbraw/zinc/13/77/63/637137763.db2.gz HOSRGIQIWRQPOD-KRWDZBQOSA-N 1 3 304.434 2.284 20 0 DEADHO N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000923383047 637149789 /nfs/dbraw/zinc/14/97/89/637149789.db2.gz GURLYUPNCCIISK-MCIONIFRSA-N 1 3 313.239 2.342 20 0 DEADHO C[C@@H](NC(=O)[C@H](C)N1CC[C@@H](C[NH3+])[C@H](C)C1)c1ccccc1 ZINC000923487759 637201371 /nfs/dbraw/zinc/20/13/71/637201371.db2.gz BLNISIPDVAOYOV-AIANPOQGSA-N 1 3 303.450 2.169 20 0 DEADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000894780989 637208754 /nfs/dbraw/zinc/20/87/54/637208754.db2.gz BSPADZOEIBQGHU-JKSUJKDBSA-N 1 3 323.481 2.269 20 0 DEADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000894780989 637208759 /nfs/dbraw/zinc/20/87/59/637208759.db2.gz BSPADZOEIBQGHU-JKSUJKDBSA-N 1 3 323.481 2.269 20 0 DEADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000894780989 637208766 /nfs/dbraw/zinc/20/87/66/637208766.db2.gz BSPADZOEIBQGHU-JKSUJKDBSA-N 1 3 323.481 2.269 20 0 DEADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000894780989 637208770 /nfs/dbraw/zinc/20/87/70/637208770.db2.gz BSPADZOEIBQGHU-JKSUJKDBSA-N 1 3 323.481 2.269 20 0 DEADHO C[C@@H](C(=O)N1CCCc2ccccc21)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923502184 637212342 /nfs/dbraw/zinc/21/23/42/637212342.db2.gz ADNNVJHYLHOZGR-VYDXJSESSA-N 1 3 315.461 2.271 20 0 DEADHO C[C@H]1CCCCN1C(=O)CN1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923502777 637212612 /nfs/dbraw/zinc/21/26/12/637212612.db2.gz AFRKCGLMGQNHAA-IRXDYDNUSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CN([C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC[C@H]1C[NH3+] ZINC000923497937 637214771 /nfs/dbraw/zinc/21/47/71/637214771.db2.gz NLFPRRUWIQWTOP-WWGRRREGSA-N 1 3 321.852 2.362 20 0 DEADHO C[C@@H]1CN([C@@H]2CCCN(c3ccccc3)C2=O)CC[C@H]1C[NH3+] ZINC000923497885 637215423 /nfs/dbraw/zinc/21/54/23/637215423.db2.gz NDLILLYYUMPEJK-HLLBOEOZSA-N 1 3 301.434 2.099 20 0 DEADHO CC1CCC(N(C(=O)CN2CC[C@H](C[NH3+])[C@H](C)C2)C2CC2)CC1 ZINC000923500925 637217245 /nfs/dbraw/zinc/21/72/45/637217245.db2.gz RZJPIBBMBXPQCK-JCCCHCCOSA-N 1 3 321.509 2.473 20 0 DEADHO C[C@@H](C(=O)NCc1ccccc1Cl)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923501017 637217772 /nfs/dbraw/zinc/21/77/72/637217772.db2.gz QTEQIHSJEACVSJ-RDBSUJKOSA-N 1 3 323.868 2.261 20 0 DEADHO CCOc1ccc(NC(=O)[C@H](C)N2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923501524 637218325 /nfs/dbraw/zinc/21/83/25/637218325.db2.gz SSWURDUHXOOBLQ-KKUMJFAQSA-N 1 3 319.449 2.329 20 0 DEADHO C[NH+](C)C1CCC(NCc2cn(Cc3ccccc3)nn2)CC1 ZINC000894979515 637356236 /nfs/dbraw/zinc/35/62/36/637356236.db2.gz VEXIEAUUFJEVPH-UHFFFAOYSA-N 1 3 313.449 2.289 20 0 DEADHO O=C(CCC1CCCCC1)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000178961936 637513587 /nfs/dbraw/zinc/51/35/87/637513587.db2.gz FLWVNYFYTSAMCV-UHFFFAOYSA-N 1 3 321.509 2.491 20 0 DEADHO CN(CC(C)(C)C[NH+](C)C)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000895627426 638120971 /nfs/dbraw/zinc/12/09/71/638120971.db2.gz IVPAHBJWDYOWBE-CQSZACIVSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCCC2(CC2)C1 ZINC000895667127 638140693 /nfs/dbraw/zinc/14/06/93/638140693.db2.gz ZOXGYVOKFKUEAC-JKSUJKDBSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCCC2(CC2)C1 ZINC000895667127 638140695 /nfs/dbraw/zinc/14/06/95/638140695.db2.gz ZOXGYVOKFKUEAC-JKSUJKDBSA-N 1 3 324.513 2.280 20 0 DEADHO COCCN(Cc1cn(C)nc1C1CC1)CC1CC[NH+](C)CC1 ZINC000895691603 638146871 /nfs/dbraw/zinc/14/68/71/638146871.db2.gz ISQAGWUWSFZWOY-UHFFFAOYSA-N 1 3 320.481 2.088 20 0 DEADHO CCO/C=C\[C@](O)(C[NH2+][C@@H]1CCN(C)C(C)(C)C1)C(F)(F)F ZINC000895717993 638162251 /nfs/dbraw/zinc/16/22/51/638162251.db2.gz PQXQHSGUSMPQCT-ZANYVSNCSA-N 1 3 324.387 2.292 20 0 DEADHO COc1cc(CN[C@H]2CCC[C@@H]([NH3+])C2)ccc1OC(=O)C1CC1 ZINC000841057353 650416756 /nfs/dbraw/zinc/41/67/56/650416756.db2.gz JITLBGSDEUZQDC-CABCVRRESA-N 1 3 318.417 2.370 20 0 DEADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000896202301 638413605 /nfs/dbraw/zinc/41/36/05/638413605.db2.gz GSGXYXILFYRNGQ-NDUQDZPOSA-N 1 3 322.497 2.127 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](C)Cc2ccsc2)CC1 ZINC000985331013 639287208 /nfs/dbraw/zinc/28/72/08/639287208.db2.gz BTXZJNBKHZRJKJ-MRXNPFEDSA-N 1 3 321.490 2.265 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)Cc2ccsc2)CC1 ZINC000985331013 639287209 /nfs/dbraw/zinc/28/72/09/639287209.db2.gz BTXZJNBKHZRJKJ-MRXNPFEDSA-N 1 3 321.490 2.265 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2ccsc2)CC1 ZINC000985331012 639287355 /nfs/dbraw/zinc/28/73/55/639287355.db2.gz BTXZJNBKHZRJKJ-INIZCTEOSA-N 1 3 321.490 2.265 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2ccsc2)CC1 ZINC000985331012 639287356 /nfs/dbraw/zinc/28/73/56/639287356.db2.gz BTXZJNBKHZRJKJ-INIZCTEOSA-N 1 3 321.490 2.265 20 0 DEADHO COC(=O)c1ccccc1CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000897309570 639400899 /nfs/dbraw/zinc/40/08/99/639400899.db2.gz JIZJSUJRPZFAQW-HOTGVXAUSA-N 1 3 302.418 2.232 20 0 DEADHO COC(=O)c1ccccc1CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000897309570 639400903 /nfs/dbraw/zinc/40/09/03/639400903.db2.gz JIZJSUJRPZFAQW-HOTGVXAUSA-N 1 3 302.418 2.232 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000262557435 639485984 /nfs/dbraw/zinc/48/59/84/639485984.db2.gz UNHZYFMGNDJUMY-IAGOWNOFSA-N 1 3 307.482 2.371 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2)C1)N(C)C ZINC001029843995 639541947 /nfs/dbraw/zinc/54/19/47/639541947.db2.gz ULOPJUUQMCYWLG-MSOLQXFVSA-N 1 3 317.477 2.307 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2)C1)N(C)C ZINC001029843995 639541951 /nfs/dbraw/zinc/54/19/51/639541951.db2.gz ULOPJUUQMCYWLG-MSOLQXFVSA-N 1 3 317.477 2.307 20 0 DEADHO CN(C)CCN(Cc1ccco1)C(=O)CCCC[NH+]1CCCC1 ZINC000755603469 639567579 /nfs/dbraw/zinc/56/75/79/639567579.db2.gz ULAPQDRHYLPUDK-UHFFFAOYSA-N 1 3 321.465 2.436 20 0 DEADHO C[N@H+](CC1CC(C)(C)C1)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029853622 639574608 /nfs/dbraw/zinc/57/46/08/639574608.db2.gz OPPSIHLOYODAGZ-CQSZACIVSA-N 1 3 318.465 2.169 20 0 DEADHO C[N@@H+](CC1CC(C)(C)C1)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029853622 639574615 /nfs/dbraw/zinc/57/46/15/639574615.db2.gz OPPSIHLOYODAGZ-CQSZACIVSA-N 1 3 318.465 2.169 20 0 DEADHO C[NH+](C)C1CCN(CCN[C@H]2CCc3c2nccc3Cl)CC1 ZINC000925215538 639603065 /nfs/dbraw/zinc/60/30/65/639603065.db2.gz NZJYFTSGFWSQKA-INIZCTEOSA-N 1 3 322.884 2.338 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CC2CCCC2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986933587 640019756 /nfs/dbraw/zinc/01/97/56/640019756.db2.gz CDXJUCRAGSOIMR-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000925265175 640043877 /nfs/dbraw/zinc/04/38/77/640043877.db2.gz QIBWCCSZLFEAGY-OJEWEXDKSA-N 1 3 320.868 2.244 20 0 DEADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000925265175 640043881 /nfs/dbraw/zinc/04/38/81/640043881.db2.gz QIBWCCSZLFEAGY-OJEWEXDKSA-N 1 3 320.868 2.244 20 0 DEADHO C[C@@H]1[C@@H]([NH2+]CC2CCCC2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987256025 640144023 /nfs/dbraw/zinc/14/40/23/640144023.db2.gz RVSDOBCACVVBOM-AEFFLSMTSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCN(C2CC[NH+](CC3(O)CCCCC3)CC2)CC1 ZINC000761123475 640273888 /nfs/dbraw/zinc/27/38/88/640273888.db2.gz OPCKUKQMIYFZLY-UHFFFAOYSA-N 1 3 323.525 2.172 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc(Cl)n1 ZINC000841848712 650578636 /nfs/dbraw/zinc/57/86/36/650578636.db2.gz QDPODFBTKINFCL-GDLCADMTSA-N 1 3 324.856 2.019 20 0 DEADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000841852068 650580385 /nfs/dbraw/zinc/58/03/85/650580385.db2.gz WUUOCZZSCSTBCN-DLBZAZTESA-N 1 3 324.513 2.425 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CC2CCC2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989449047 640992493 /nfs/dbraw/zinc/99/24/93/640992493.db2.gz CAWMTNLIMNFKEE-HOCLYGCPSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CC2CC2)CN1C(=O)c1cccc(CN(C)C)c1 ZINC000989826830 641249361 /nfs/dbraw/zinc/24/93/61/641249361.db2.gz UQSWOKJNOCGXTH-KSSFIOAISA-N 1 3 315.461 2.351 20 0 DEADHO CCc1noc(C)c1[C@@H](C)[NH2+]CCCN1CCN(CC)CC1 ZINC000769868570 641303684 /nfs/dbraw/zinc/30/36/84/641303684.db2.gz RDQWEYSNQCLFJC-CQSZACIVSA-N 1 3 308.470 2.224 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccnn2C2CCC2)CC1 ZINC000924657548 641549453 /nfs/dbraw/zinc/54/94/53/641549453.db2.gz HHIOBEBNYPRHHW-MRXNPFEDSA-N 1 3 319.497 2.286 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cccc3c2OCO3)CC1 ZINC000924670761 641567069 /nfs/dbraw/zinc/56/70/69/641567069.db2.gz NFRLSQKBDREBTI-LSDHHAIUSA-N 1 3 319.449 2.092 20 0 DEADHO CN(CCN(C)C1CC[NH+](C)CC1)C[C@@H]1CC1(Cl)Cl ZINC000774730247 641954292 /nfs/dbraw/zinc/95/42/92/641954292.db2.gz OCJOJCJXYPPEBA-LBPRGKRZSA-N 1 3 308.297 2.138 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CCN1c1cc[nH+]cc1 ZINC000899205005 641990427 /nfs/dbraw/zinc/99/04/27/641990427.db2.gz IYKYZRXTNRYLHX-OAHLLOKOSA-N 1 3 318.465 2.097 20 0 DEADHO CN(C)[C@H](CNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)c1ccccc1 ZINC000899941648 642217663 /nfs/dbraw/zinc/21/76/63/642217663.db2.gz KCXPZFUMPRRTJM-KZNAEPCWSA-N 1 3 315.461 2.422 20 0 DEADHO CN(C)[C@H](CNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)c1ccccc1 ZINC000899941648 642217666 /nfs/dbraw/zinc/21/76/66/642217666.db2.gz KCXPZFUMPRRTJM-KZNAEPCWSA-N 1 3 315.461 2.422 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])c1 ZINC000900477748 642382477 /nfs/dbraw/zinc/38/24/77/642382477.db2.gz KYCRQXHJWQEIGR-QZTJIDSGSA-N 1 3 324.428 2.494 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000901181706 642582622 /nfs/dbraw/zinc/58/26/22/642582622.db2.gz VWEMRRDKSVKDFZ-UHFFFAOYSA-N 1 3 304.438 2.067 20 0 DEADHO C[N@@H+]1CCC[C@@H](N2CCN(C[C@H]3CCc4ccccc43)CC2)C1 ZINC000780304454 642610142 /nfs/dbraw/zinc/61/01/42/642610142.db2.gz UFAGSYNIUMUAKT-RTBURBONSA-N 1 3 313.489 2.428 20 0 DEADHO C[N@H+]1CCC[C@@H](N2CCN(C[C@H]3CCc4ccccc43)CC2)C1 ZINC000780304454 642610146 /nfs/dbraw/zinc/61/01/46/642610146.db2.gz UFAGSYNIUMUAKT-RTBURBONSA-N 1 3 313.489 2.428 20 0 DEADHO CCNc1ccccc1C[NH2+]C[C@H](C)N1CCN(CC)CC1 ZINC000902067962 642897071 /nfs/dbraw/zinc/89/70/71/642897071.db2.gz RQTWFQJJIZFNFW-INIZCTEOSA-N 1 3 304.482 2.234 20 0 DEADHO C[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000783252947 642987687 /nfs/dbraw/zinc/98/76/87/642987687.db2.gz WZACSJJSWOYKSP-YJBOKZPZSA-N 1 3 315.461 2.400 20 0 DEADHO COc1ccc([C@@H](CO)CN[C@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000902391550 643027366 /nfs/dbraw/zinc/02/73/66/643027366.db2.gz YLOBYNWNRPACCM-CVEARBPZSA-N 1 3 306.450 2.139 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC(C(=O)NC2CCCCC2)CC1 ZINC000903433049 643348502 /nfs/dbraw/zinc/34/85/02/643348502.db2.gz SDAOKLDJGMYDKG-ZBFHGGJFSA-N 1 3 307.482 2.003 20 0 DEADHO Cc1cccc(OCCN(C)C[C@H]2C[C@]3(CC[NH2+]C3)CO2)c1 ZINC000903718571 643438200 /nfs/dbraw/zinc/43/82/00/643438200.db2.gz PCEPUHZLVPHTMY-MSOLQXFVSA-N 1 3 304.434 2.074 20 0 DEADHO Cc1nn(C(C)C)cc1CN1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000903785920 643462205 /nfs/dbraw/zinc/46/22/05/643462205.db2.gz BMQGTJJWIMNJLJ-INIZCTEOSA-N 1 3 306.454 2.102 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC(C(C)(C)C[NH3+])CC1 ZINC000903788603 643463615 /nfs/dbraw/zinc/46/36/15/643463615.db2.gz BDMVDPHHEDRKIV-GASCZTMLSA-N 1 3 309.498 2.473 20 0 DEADHO CC(C)N1CCC[C@@H](N2CCCC[C@@H]2C2(C[NH3+])CCC2)C1=O ZINC000903816566 643464525 /nfs/dbraw/zinc/46/45/25/643464525.db2.gz ZFTGZSRYJMQKSC-HZPDHXFCSA-N 1 3 307.482 2.369 20 0 DEADHO C([C@@H]1CCC2(CCC2)CO1)[N@@H+]1CCNCCC12CCOCC2 ZINC000903820023 643471773 /nfs/dbraw/zinc/47/17/73/643471773.db2.gz RQLIAPSAHKIWGV-INIZCTEOSA-N 1 3 308.466 2.180 20 0 DEADHO C([C@@H]1CCC2(CCC2)CO1)[N@H+]1CCNCCC12CCOCC2 ZINC000903820023 643471774 /nfs/dbraw/zinc/47/17/74/643471774.db2.gz RQLIAPSAHKIWGV-INIZCTEOSA-N 1 3 308.466 2.180 20 0 DEADHO CCN(Cc1cccs1)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903877756 643493845 /nfs/dbraw/zinc/49/38/45/643493845.db2.gz PNYAELYURUBDBR-AWEZNQCLSA-N 1 3 306.479 2.430 20 0 DEADHO OC[C@]1(NCc2cccc3c2CC[NH2+]C3)CCc2ccccc21 ZINC000903902863 643502561 /nfs/dbraw/zinc/50/25/61/643502561.db2.gz OQEQNZXJUOWZFW-HXUWFJFHSA-N 1 3 308.425 2.256 20 0 DEADHO Cc1c(C[C@H](CN)C[NH2+]CCc2ccc(F)cc2C)cnn1C ZINC000903923089 643508923 /nfs/dbraw/zinc/50/89/23/643508923.db2.gz KYSSCANRHDBRLE-OAHLLOKOSA-N 1 3 318.440 2.126 20 0 DEADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCC[C@H](C2CCC2)C1 ZINC000903933587 643514212 /nfs/dbraw/zinc/51/42/12/643514212.db2.gz SLFHGUQIAWRDQH-HOTGVXAUSA-N 1 3 303.454 2.215 20 0 DEADHO Cc1nc([C@@H]2CCN(Cc3cc4c(s3)CC[NH2+]C4)C2)no1 ZINC000903978666 643533389 /nfs/dbraw/zinc/53/33/89/643533389.db2.gz JUSKHGCPXRCVCV-LLVKDONJSA-N 1 3 304.419 2.075 20 0 DEADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cc[nH]c(=O)c1 ZINC000788643465 643631185 /nfs/dbraw/zinc/63/11/85/643631185.db2.gz JRJDVPMOFNPABY-ZNMIVQPWSA-N 1 3 307.438 2.327 20 0 DEADHO CN(C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000904320711 643635964 /nfs/dbraw/zinc/63/59/64/643635964.db2.gz MYGUQPPUTOAIBC-ZOWXZIJZSA-N 1 3 307.825 2.114 20 0 DEADHO COc1ccc(Cl)cc1CN1CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904335726 643639197 /nfs/dbraw/zinc/63/91/97/643639197.db2.gz ASZCLZRMMGNSKB-AKAXFMLLSA-N 1 3 323.868 2.204 20 0 DEADHO CC(C)(C)CC[C@H](N)C[NH2+]C[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000904367453 643646514 /nfs/dbraw/zinc/64/65/14/643646514.db2.gz BAIJUYFCSHENKZ-HOCLYGCPSA-N 1 3 323.456 2.213 20 0 DEADHO COc1cc(CN2CC[C@H](C[NH3+])[C@@H](C)C2)cc(OC)c1OC ZINC000904410070 643661122 /nfs/dbraw/zinc/66/11/22/643661122.db2.gz AAZWOEHCROZYIC-GXTWGEPZSA-N 1 3 308.422 2.129 20 0 DEADHO O[C@@H](CCOCc1ccccc1)CN[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000905044950 643768942 /nfs/dbraw/zinc/76/89/42/643768942.db2.gz GOEFWKBISAFSMN-FHWLQOOXSA-N 1 3 318.461 2.171 20 0 DEADHO O[C@@H](CCOCc1ccccc1)CN[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000905044950 643768946 /nfs/dbraw/zinc/76/89/46/643768946.db2.gz GOEFWKBISAFSMN-FHWLQOOXSA-N 1 3 318.461 2.171 20 0 DEADHO O[C@H](CC[C@H](O)c1ccccc1)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000905051979 643771877 /nfs/dbraw/zinc/77/18/77/643771877.db2.gz YEBVISKMAKVPQL-MKXGPGLRSA-N 1 3 318.461 2.078 20 0 DEADHO O[C@H](CC[C@H](O)c1ccccc1)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000905051979 643771880 /nfs/dbraw/zinc/77/18/80/643771880.db2.gz YEBVISKMAKVPQL-MKXGPGLRSA-N 1 3 318.461 2.078 20 0 DEADHO C[C@@H](CCNC[C@H](O)C1(O)CCCC1)[N@H+](C)Cc1ccccc1 ZINC000905144177 643810783 /nfs/dbraw/zinc/81/07/83/643810783.db2.gz FHNGZIHLPWGKGR-WMZOPIPTSA-N 1 3 320.477 2.153 20 0 DEADHO C[C@@H](CCNC[C@H](O)C1(O)CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000905144177 643810785 /nfs/dbraw/zinc/81/07/85/643810785.db2.gz FHNGZIHLPWGKGR-WMZOPIPTSA-N 1 3 320.477 2.153 20 0 DEADHO COc1cc(CN2CCC(C[NH3+])CC2)ccc1OC(=O)C1CC1 ZINC000843047290 650876575 /nfs/dbraw/zinc/87/65/75/650876575.db2.gz JSZPVJBILRFBHA-UHFFFAOYSA-N 1 3 318.417 2.181 20 0 DEADHO c1cc(CN2CCC(C[NH2+]C[C@H]3CCCOC3)CC2)ccn1 ZINC000843098506 650892855 /nfs/dbraw/zinc/89/28/55/650892855.db2.gz XNFMEGXAKXOBGW-GOSISDBHSA-N 1 3 303.450 2.310 20 0 DEADHO C[N@@H+]1CC[C@H](NCc2cccnc2-n2ccnc2)[C@@H]2CCC[C@H]21 ZINC000796695513 644777765 /nfs/dbraw/zinc/77/77/65/644777765.db2.gz OOANATCCBJOAHW-YESZJQIVSA-N 1 3 311.433 2.230 20 0 DEADHO C[N@H+]1CC[C@H](NCc2cccnc2-n2ccnc2)[C@@H]2CCC[C@H]21 ZINC000796695513 644777769 /nfs/dbraw/zinc/77/77/69/644777769.db2.gz OOANATCCBJOAHW-YESZJQIVSA-N 1 3 311.433 2.230 20 0 DEADHO CN1CC[C@H]([NH2+]Cc2cccnc2-n2ccnc2)[C@@H]2CCC[C@H]21 ZINC000796695513 644777774 /nfs/dbraw/zinc/77/77/74/644777774.db2.gz OOANATCCBJOAHW-YESZJQIVSA-N 1 3 311.433 2.230 20 0 DEADHO Cc1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cnc1Cl ZINC000799346968 645162348 /nfs/dbraw/zinc/16/23/48/645162348.db2.gz VRJBLPCPRPBBFB-UHFFFAOYSA-N 1 3 310.873 2.159 20 0 DEADHO C[C@@H](NCCOCC[NH+](C)C)c1ccc(Br)nc1 ZINC000810239528 646343399 /nfs/dbraw/zinc/34/33/99/646343399.db2.gz WFMMDHKNJVDZCM-LLVKDONJSA-N 1 3 316.243 2.073 20 0 DEADHO CC(C)N1CCC[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000813520263 646781678 /nfs/dbraw/zinc/78/16/78/646781678.db2.gz FNFMVNBYJVKKOV-PBHICJAKSA-N 1 3 313.461 2.188 20 0 DEADHO CC(C)N1CCC[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000813520263 646781680 /nfs/dbraw/zinc/78/16/80/646781680.db2.gz FNFMVNBYJVKKOV-PBHICJAKSA-N 1 3 313.461 2.188 20 0 DEADHO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000232504787 646810303 /nfs/dbraw/zinc/81/03/03/646810303.db2.gz QAKCTPJXOUDRGP-ZBFHGGJFSA-N 1 3 323.481 2.460 20 0 DEADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCCc3cnn(C)n3)CC2)C1 ZINC000815639985 647037344 /nfs/dbraw/zinc/03/73/44/647037344.db2.gz MOGUYAFNSDKDDB-QAPCUYQASA-N 1 3 319.497 2.380 20 0 DEADHO CC1([NH+]2CCC2)CCC(NC(=O)NCCN2CCCCC2)CC1 ZINC000913953407 647111489 /nfs/dbraw/zinc/11/14/89/647111489.db2.gz SKYSJZLBUBTFFQ-UHFFFAOYSA-N 1 3 322.497 2.179 20 0 DEADHO C[C@H]1[C@H](NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCN1C ZINC000914100981 647155274 /nfs/dbraw/zinc/15/52/74/647155274.db2.gz UNLDUOCJPXYDQN-VVLHAWIVSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@H]1[C@H](NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCN1C ZINC000914100981 647155276 /nfs/dbraw/zinc/15/52/76/647155276.db2.gz UNLDUOCJPXYDQN-VVLHAWIVSA-N 1 3 324.513 2.136 20 0 DEADHO CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]21 ZINC000992819108 647278240 /nfs/dbraw/zinc/27/82/40/647278240.db2.gz RFBFITUAGGKKHP-GVDBMIGSSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1C[C@@H](C)N(Cc2ccc3c(c2)CCC(=O)N3C)C[C@@H]1C[NH3+] ZINC000817866091 647369276 /nfs/dbraw/zinc/36/92/76/647369276.db2.gz WLBIIUWCHFVCLX-CPUCHLNUSA-N 1 3 315.461 2.401 20 0 DEADHO Cc1ccc(N2CCC[C@H](N[C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])C2)cc1 ZINC000817897668 647374832 /nfs/dbraw/zinc/37/48/32/647374832.db2.gz VCEUHNBCTSLUNV-KCITZHQASA-N 1 3 317.477 2.306 20 0 DEADHO COc1cc(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])ccc1OC(C)C ZINC000817900576 647377071 /nfs/dbraw/zinc/37/70/71/647377071.db2.gz NSMHYYVQQXXGJP-NUEKZKHPSA-N 1 3 322.449 2.324 20 0 DEADHO C[C@@H]1CCNC[C@H]1[NH2+]C[C@@H](O)c1ccccc1Br ZINC000817934168 647385714 /nfs/dbraw/zinc/38/57/14/647385714.db2.gz BYHHUGSQBUUGPX-LERXQTSPSA-N 1 3 313.239 2.070 20 0 DEADHO C[C@H](CC(=O)Nc1cccnc1Cl)N[C@@H]1CCC[NH2+]CC1 ZINC000817968477 647396966 /nfs/dbraw/zinc/39/69/66/647396966.db2.gz JYHVNSHALWLXHY-VXGBXAGGSA-N 1 3 310.829 2.184 20 0 DEADHO C[C@H](CC(=O)Nc1cccnc1Cl)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000817972280 647397667 /nfs/dbraw/zinc/39/76/67/647397667.db2.gz VVVQXILSNHPYQF-TUAOUCFPSA-N 1 3 310.829 2.040 20 0 DEADHO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H]1CCNC[C@@H]1C ZINC000817972280 647397671 /nfs/dbraw/zinc/39/76/71/647397671.db2.gz VVVQXILSNHPYQF-TUAOUCFPSA-N 1 3 310.829 2.040 20 0 DEADHO Cc1ccc([C@H](O)C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000819083816 647580485 /nfs/dbraw/zinc/58/04/85/647580485.db2.gz GIEKBLCNHITZJJ-VQIMIIECSA-N 1 3 318.461 2.119 20 0 DEADHO Cc1ccc(N2CCC[C@H](NC[C@@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC000819113219 647585755 /nfs/dbraw/zinc/58/57/55/647585755.db2.gz MOEDOLOPEDOJTK-QFBILLFUSA-N 1 3 317.477 2.009 20 0 DEADHO Cc1ccc(N2CCC[C@H](NC[C@@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC000819113219 647585759 /nfs/dbraw/zinc/58/57/59/647585759.db2.gz MOEDOLOPEDOJTK-QFBILLFUSA-N 1 3 317.477 2.009 20 0 DEADHO Cc1cc(F)ccc1[C@@H](O)CNCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000819265440 647621044 /nfs/dbraw/zinc/62/10/44/647621044.db2.gz PCMXNHAFQASIBD-YJBOKZPZSA-N 1 3 324.440 2.258 20 0 DEADHO Cc1cc(F)ccc1[C@@H](O)CNCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000819265440 647621047 /nfs/dbraw/zinc/62/10/47/647621047.db2.gz PCMXNHAFQASIBD-YJBOKZPZSA-N 1 3 324.440 2.258 20 0 DEADHO COC[C@@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000819327789 647636864 /nfs/dbraw/zinc/63/68/64/647636864.db2.gz ILGVMLARRNVIBS-IPQPSQTFSA-N 1 3 318.461 2.169 20 0 DEADHO COC[C@@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000819327789 647636868 /nfs/dbraw/zinc/63/68/68/647636868.db2.gz ILGVMLARRNVIBS-IPQPSQTFSA-N 1 3 318.461 2.169 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)NCCC3CCC3)CC2)CC1 ZINC000155181123 648204966 /nfs/dbraw/zinc/20/49/66/648204966.db2.gz FEZWFAWJYQEJGA-UHFFFAOYSA-N 1 3 322.497 2.034 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CC2)CC1(C)C ZINC000940736136 648935087 /nfs/dbraw/zinc/93/50/87/648935087.db2.gz ADEJKLGHAFKTEL-SJORKVTESA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC2)CC1(C)C ZINC000940736136 648935090 /nfs/dbraw/zinc/93/50/90/648935090.db2.gz ADEJKLGHAFKTEL-SJORKVTESA-N 1 3 321.509 2.486 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CC(C)C)CC1(C)C ZINC000941186502 649018772 /nfs/dbraw/zinc/01/87/72/649018772.db2.gz KVPSMMKTNIRALG-OAHLLOKOSA-N 1 3 306.454 2.133 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CC(C)C)CC1(C)C ZINC000941186502 649018776 /nfs/dbraw/zinc/01/87/76/649018776.db2.gz KVPSMMKTNIRALG-OAHLLOKOSA-N 1 3 306.454 2.133 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC000942053473 649143630 /nfs/dbraw/zinc/14/36/30/649143630.db2.gz PVNTUYDGIOKTGG-HZPDHXFCSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC000942053473 649143631 /nfs/dbraw/zinc/14/36/31/649143631.db2.gz PVNTUYDGIOKTGG-HZPDHXFCSA-N 1 3 309.498 2.486 20 0 DEADHO C[NH+](C)C1CCN(c2ccc(NC(=O)C3(N)CCC3)cc2)CC1 ZINC000831511205 649604276 /nfs/dbraw/zinc/60/42/76/649604276.db2.gz ODJKYGAOIWVSFC-UHFFFAOYSA-N 1 3 316.449 2.037 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc(Cl)n1 ZINC000832750532 649741352 /nfs/dbraw/zinc/74/13/52/649741352.db2.gz SMFPNHLLDVMFGZ-OUCADQQQSA-N 1 3 324.856 2.019 20 0 DEADHO COc1ccccc1[C@@H](N)CNC(=O)CCCC[NH+]1CCCC1 ZINC000844163048 651085029 /nfs/dbraw/zinc/08/50/29/651085029.db2.gz UHWDAJSOTYKDKY-INIZCTEOSA-N 1 3 319.449 2.077 20 0 DEADHO CC[NH2+]CC(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC000844181390 651087756 /nfs/dbraw/zinc/08/77/56/651087756.db2.gz ZMWKPINKFZTJIJ-UHFFFAOYSA-N 1 3 307.463 2.092 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(C[C@@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844292745 651105719 /nfs/dbraw/zinc/10/57/19/651105719.db2.gz LAELQANRGWPQQX-MRXNPFEDSA-N 1 3 309.454 2.022 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(C[C@@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844292745 651105722 /nfs/dbraw/zinc/10/57/22/651105722.db2.gz LAELQANRGWPQQX-MRXNPFEDSA-N 1 3 309.454 2.022 20 0 DEADHO [NH3+]CCCCCCN1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000846217204 651315858 /nfs/dbraw/zinc/31/58/58/651315858.db2.gz CQDAFCOQYRRJND-UHFFFAOYSA-N 1 3 321.440 2.493 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CC[C@H](C)C3)CC2)CC1 ZINC000847845354 651422893 /nfs/dbraw/zinc/42/28/93/651422893.db2.gz OBAGDKZHWCJVAO-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnc(Cl)n2C)C[C@@H](C)O1 ZINC000848537703 651468536 /nfs/dbraw/zinc/46/85/36/651468536.db2.gz MAWPBQYDHCMSSP-CHWSQXEVSA-N 1 3 314.861 2.053 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC000848720375 651498139 /nfs/dbraw/zinc/49/81/39/651498139.db2.gz VREIRRKEVHWTOJ-IXDOHACOSA-N 1 3 301.434 2.037 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H](O)c2ccccc2Br)C1 ZINC000848722662 651498483 /nfs/dbraw/zinc/49/84/83/651498483.db2.gz QZGKJJSDWSDCOU-JTNHKYCSSA-N 1 3 313.239 2.342 20 0 DEADHO CC[NH+]1CCC(CNCc2ccc(/C=C\C(=O)OC)o2)CC1 ZINC000848894338 651549494 /nfs/dbraw/zinc/54/94/94/651549494.db2.gz CTSPIXCRVZSDFC-SREVYHEPSA-N 1 3 306.406 2.287 20 0 DEADHO COC(=O)/C=C/c1ccc(CNCC[C@H]2CCC[N@H+](C)C2)o1 ZINC000848916593 651560407 /nfs/dbraw/zinc/56/04/07/651560407.db2.gz KGBVDAWSEMSTOP-HSBSLETESA-N 1 3 306.406 2.287 20 0 DEADHO COC(=O)/C=C/c1ccc(CNCC[C@H]2CCC[N@@H+](C)C2)o1 ZINC000848916593 651560411 /nfs/dbraw/zinc/56/04/11/651560411.db2.gz KGBVDAWSEMSTOP-HSBSLETESA-N 1 3 306.406 2.287 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C/c1ccsc1 ZINC000855346122 651679747 /nfs/dbraw/zinc/67/97/47/651679747.db2.gz PAEDFGQVRIVRDE-UZYOAWRESA-N 1 3 309.479 2.150 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C/c1ccsc1 ZINC000855346122 651679749 /nfs/dbraw/zinc/67/97/49/651679749.db2.gz PAEDFGQVRIVRDE-UZYOAWRESA-N 1 3 309.479 2.150 20 0 DEADHO CON(C)CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000850479375 651936165 /nfs/dbraw/zinc/93/61/65/651936165.db2.gz RGBFPFXQHWSGMP-CEXWTWQISA-N 1 3 317.477 2.370 20 0 DEADHO CON(C)CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000850479375 651936170 /nfs/dbraw/zinc/93/61/70/651936170.db2.gz RGBFPFXQHWSGMP-CEXWTWQISA-N 1 3 317.477 2.370 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000851636816 652194587 /nfs/dbraw/zinc/19/45/87/652194587.db2.gz STSCDPXTWPAOBY-OALUTQOASA-N 1 3 321.424 2.224 20 0 DEADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000851834291 652253929 /nfs/dbraw/zinc/25/39/29/652253929.db2.gz PVFKJJIVXRDTBB-OTWHNJEPSA-N 1 3 320.477 2.276 20 0 DEADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000851834291 652253933 /nfs/dbraw/zinc/25/39/33/652253933.db2.gz PVFKJJIVXRDTBB-OTWHNJEPSA-N 1 3 320.477 2.276 20 0 DEADHO CO[C@@H]1CC[C@@H]([NH+]2CCC(N3CCN(C(C)C)CC3)CC2)C1 ZINC000851878509 652267953 /nfs/dbraw/zinc/26/79/53/652267953.db2.gz CFVCJJKLQWYFIW-QZTJIDSGSA-N 1 3 309.498 2.044 20 0 DEADHO CN(CCF)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001391351629 1156351795 /nfs/dbraw/zinc/35/17/95/1156351795.db2.gz WPAAFBGOSGSMRV-HNNXBMFYSA-N 1 3 313.461 2.001 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]CC1CCC(F)(F)CC1 ZINC001374849933 1158054980 /nfs/dbraw/zinc/05/49/80/1158054980.db2.gz RHIUNPWAFDARHE-CYBMUJFWSA-N 1 3 319.440 2.246 20 0 DEADHO CC[C@@H](F)CN[C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001394505929 1158597068 /nfs/dbraw/zinc/59/70/68/1158597068.db2.gz QVJMQSUSHMOPPX-UONOGXRCSA-N 1 3 301.450 2.045 20 0 DEADHO [NH3+][C@H](CC1CC1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000390140343 685437965 /nfs/dbraw/zinc/43/79/65/685437965.db2.gz SYQCUAVILYZOSM-SJORKVTESA-N 1 3 301.434 2.067 20 0 DEADHO N[C@H](CC1CC1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000390140343 685437969 /nfs/dbraw/zinc/43/79/69/685437969.db2.gz SYQCUAVILYZOSM-SJORKVTESA-N 1 3 301.434 2.067 20 0 DEADHO C[N@H+](CCc1ccccc1)[C@H]1CCN(c2ccnc(CO)c2)C1 ZINC000858626827 685571277 /nfs/dbraw/zinc/57/12/77/685571277.db2.gz MFGXLZPBKBEIAX-IBGZPJMESA-N 1 3 311.429 2.327 20 0 DEADHO C[N@@H+](CCc1ccccc1)[C@H]1CCN(c2ccnc(CO)c2)C1 ZINC000858626827 685571279 /nfs/dbraw/zinc/57/12/79/685571279.db2.gz MFGXLZPBKBEIAX-IBGZPJMESA-N 1 3 311.429 2.327 20 0 DEADHO C[N@H+](CCc1ccccc1)[C@@H]1CCN(c2ccnc(CO)c2)C1 ZINC000858626828 685571286 /nfs/dbraw/zinc/57/12/86/685571286.db2.gz MFGXLZPBKBEIAX-LJQANCHMSA-N 1 3 311.429 2.327 20 0 DEADHO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(c2ccnc(CO)c2)C1 ZINC000858626828 685571287 /nfs/dbraw/zinc/57/12/87/685571287.db2.gz MFGXLZPBKBEIAX-LJQANCHMSA-N 1 3 311.429 2.327 20 0 DEADHO C[C@H]1[C@@H](NC(=O)c2cccc(CN3CCCCC3)c2)CC[N@@H+]1C ZINC000928430003 693777167 /nfs/dbraw/zinc/77/71/67/693777167.db2.gz FBIMUFXMZJFBJE-YJBOKZPZSA-N 1 3 315.461 2.495 20 0 DEADHO C[C@H]1[C@@H](NC(=O)c2cccc(CN3CCCCC3)c2)CC[N@H+]1C ZINC000928430003 693777171 /nfs/dbraw/zinc/77/71/71/693777171.db2.gz FBIMUFXMZJFBJE-YJBOKZPZSA-N 1 3 315.461 2.495 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1)N(C)C ZINC000130077616 684185317 /nfs/dbraw/zinc/18/53/17/684185317.db2.gz QLCUKEGQFOTHBH-MSOLQXFVSA-N 1 3 317.477 2.353 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@]2(CC[N@@H+](C(C)C)C2)C1)N(C)C ZINC001054148430 693862836 /nfs/dbraw/zinc/86/28/36/693862836.db2.gz NYBIFTKPYXBAES-WMZOPIPTSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](C(C)C)C2)C1)N(C)C ZINC001054148430 693862838 /nfs/dbraw/zinc/86/28/38/693862838.db2.gz NYBIFTKPYXBAES-WMZOPIPTSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)N1Cc2ccc(CNC(=O)C34CC[NH+](CC3)C4)cc2C1 ZINC001054290679 693916019 /nfs/dbraw/zinc/91/60/19/693916019.db2.gz SQHZJYRMJMWHPY-UHFFFAOYSA-N 1 3 313.445 2.123 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000929470170 693962382 /nfs/dbraw/zinc/96/23/82/693962382.db2.gz ZJRJZHYOPMOSTK-ROUUACIJSA-N 1 3 317.477 2.148 20 0 DEADHO CN1CCC[C@@H](C[N@H+](C)C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000929699854 694007943 /nfs/dbraw/zinc/00/79/43/694007943.db2.gz UVGONTFCWPFUPK-MNOVXSKESA-N 1 3 318.330 2.209 20 0 DEADHO CN1CCC[C@@H](C[N@@H+](C)C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000929699854 694007946 /nfs/dbraw/zinc/00/79/46/694007946.db2.gz UVGONTFCWPFUPK-MNOVXSKESA-N 1 3 318.330 2.209 20 0 DEADHO CN1CCC[C@@H](C[N@H+](C)C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000929699853 694008106 /nfs/dbraw/zinc/00/81/06/694008106.db2.gz UVGONTFCWPFUPK-GHMZBOCLSA-N 1 3 318.330 2.209 20 0 DEADHO CN1CCC[C@@H](C[N@@H+](C)C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000929699853 694008110 /nfs/dbraw/zinc/00/81/10/694008110.db2.gz UVGONTFCWPFUPK-GHMZBOCLSA-N 1 3 318.330 2.209 20 0 DEADHO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CN(C)C1CCC1 ZINC000863864221 686588089 /nfs/dbraw/zinc/58/80/89/686588089.db2.gz WICFYVHISBAMMI-UHFFFAOYSA-N 1 3 303.450 2.191 20 0 DEADHO CCO[C@@H](CC[NH+](C)C)CNCc1cnc(Cl)c(F)c1 ZINC000865487716 687231006 /nfs/dbraw/zinc/23/10/06/687231006.db2.gz OPFSZXBVWSRWTL-LBPRGKRZSA-N 1 3 303.809 2.321 20 0 DEADHO C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1CC2(CO1)CCOCC2 ZINC000866534850 687604363 /nfs/dbraw/zinc/60/43/63/687604363.db2.gz ZOXVXBXCJOEFON-KRWDZBQOSA-N 1 3 308.466 2.036 20 0 DEADHO C[N@H+](CC1CC1)C[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001017209855 687824748 /nfs/dbraw/zinc/82/47/48/687824748.db2.gz UMUAROPYGFCDOJ-QGZVFWFLSA-N 1 3 321.509 2.299 20 0 DEADHO C[N@@H+](CC1CC1)C[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001017209855 687824753 /nfs/dbraw/zinc/82/47/53/687824753.db2.gz UMUAROPYGFCDOJ-QGZVFWFLSA-N 1 3 321.509 2.299 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2)C1 ZINC001019820451 688413426 /nfs/dbraw/zinc/41/34/26/688413426.db2.gz KRRLWOBHFLNQBC-ZWKOTPCHSA-N 1 3 315.461 2.252 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)N(C)C)cc1 ZINC000870854374 688668412 /nfs/dbraw/zinc/66/84/12/688668412.db2.gz YIWFQVCJTHKUSL-KSZLIROESA-N 1 3 317.477 2.485 20 0 DEADHO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C[C@H](N)c2ccccc2)C1 ZINC000870993524 688706042 /nfs/dbraw/zinc/70/60/42/688706042.db2.gz IXHFEWHWANLACO-YJBOKZPZSA-N 1 3 303.450 2.300 20 0 DEADHO CN1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CCC1(C)C ZINC000871158214 688740529 /nfs/dbraw/zinc/74/05/29/688740529.db2.gz SJHSNDBSTGGSLI-QGZVFWFLSA-N 1 3 313.461 2.142 20 0 DEADHO CN1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CCC1(C)C ZINC000871158214 688740532 /nfs/dbraw/zinc/74/05/32/688740532.db2.gz SJHSNDBSTGGSLI-QGZVFWFLSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@H](C(=O)N1CCc2sccc2C1)N(C)CCCCCC[NH3+] ZINC000872154870 688939439 /nfs/dbraw/zinc/93/94/39/688939439.db2.gz CUCRTHSHBXAOMX-CQSZACIVSA-N 1 3 323.506 2.472 20 0 DEADHO C[C@H](NC(=O)CN(C)CCCCCC[NH3+])c1ccc(F)cc1 ZINC000872154993 688939860 /nfs/dbraw/zinc/93/98/60/688939860.db2.gz JBYNQWDTEBDEKJ-AWEZNQCLSA-N 1 3 309.429 2.454 20 0 DEADHO C[C@H](C(=O)NC1CC1)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158151 688941214 /nfs/dbraw/zinc/94/12/14/688941214.db2.gz XRXQZAPVNRSNFF-JKIFEVAISA-N 1 3 307.482 2.273 20 0 DEADHO CC(C)OC[C@@H](O)C[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000872218400 688955978 /nfs/dbraw/zinc/95/59/78/688955978.db2.gz NIFKNXAJBWHOMZ-UHOSZYNNSA-N 1 3 320.477 2.130 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1C[NH+](CC[C@@H](C)F)C1 ZINC001032026436 689044777 /nfs/dbraw/zinc/04/47/77/689044777.db2.gz FTFUCSQHJBDJOH-GDBMZVCRSA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCC1 ZINC001032399707 689140434 /nfs/dbraw/zinc/14/04/34/689140434.db2.gz DLEOXZSIYLODHC-OKZBNKHCSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCC1 ZINC001032399707 689140437 /nfs/dbraw/zinc/14/04/37/689140437.db2.gz DLEOXZSIYLODHC-OKZBNKHCSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCCC1 ZINC001032399707 689140438 /nfs/dbraw/zinc/14/04/38/689140438.db2.gz DLEOXZSIYLODHC-OKZBNKHCSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCCC1 ZINC001032399707 689140441 /nfs/dbraw/zinc/14/04/41/689140441.db2.gz DLEOXZSIYLODHC-OKZBNKHCSA-N 1 3 319.493 2.335 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1C[C@H](C(=O)OCc2ccccc2)C1 ZINC000873274419 689199968 /nfs/dbraw/zinc/19/99/68/689199968.db2.gz UVWVLGDNTGVOCS-QAETUUGQSA-N 1 3 302.418 2.225 20 0 DEADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](C(=O)OCc2ccccc2)C1 ZINC000873274419 689199971 /nfs/dbraw/zinc/19/99/71/689199971.db2.gz UVWVLGDNTGVOCS-QAETUUGQSA-N 1 3 302.418 2.225 20 0 DEADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001032803969 689265924 /nfs/dbraw/zinc/26/59/24/689265924.db2.gz RMIFPTBHUIWWON-YESZJQIVSA-N 1 3 307.482 2.048 20 0 DEADHO CCC[C@H](CC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000874256900 689378750 /nfs/dbraw/zinc/37/87/50/689378750.db2.gz NTTXYSNVKBFVGV-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CN1CCCC[C@@H]1CC[NH+]1CCC(O)(Cc2ccccn2)CC1 ZINC000930982320 694287501 /nfs/dbraw/zinc/28/75/01/694287501.db2.gz NVVJJCRYZCCLMO-GOSISDBHSA-N 1 3 317.477 2.325 20 0 DEADHO C[C@H](C(=O)N(C)[C@H]1CCN(CCCF)C1)[NH+]1CCCCCC1 ZINC001033466576 689511533 /nfs/dbraw/zinc/51/15/33/689511533.db2.gz GAOAADKHFVUOBE-CVEARBPZSA-N 1 3 313.461 2.143 20 0 DEADHO C[C@H](C(=O)N(C)[C@H]1CC[N@H+](CCCF)C1)N1CCCCCC1 ZINC001033466576 689511538 /nfs/dbraw/zinc/51/15/38/689511538.db2.gz GAOAADKHFVUOBE-CVEARBPZSA-N 1 3 313.461 2.143 20 0 DEADHO C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CCCF)C1)N1CCCCCC1 ZINC001033466576 689511541 /nfs/dbraw/zinc/51/15/41/689511541.db2.gz GAOAADKHFVUOBE-CVEARBPZSA-N 1 3 313.461 2.143 20 0 DEADHO CCN(C(=O)[C@@H]1CCCN1C(C)C)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001033825640 689628307 /nfs/dbraw/zinc/62/83/07/689628307.db2.gz GJKFMLKEAXRQGF-IRXDYDNUSA-N 1 3 309.498 2.438 20 0 DEADHO CCN(C(=O)[C@@H]1CCCN1C(C)C)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001033825640 689628308 /nfs/dbraw/zinc/62/83/08/689628308.db2.gz GJKFMLKEAXRQGF-IRXDYDNUSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CCCF)C1 ZINC001034204318 689761206 /nfs/dbraw/zinc/76/12/06/689761206.db2.gz LYVRQPWXAXXJCV-JKSUJKDBSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CCCF)C1 ZINC001034204318 689761207 /nfs/dbraw/zinc/76/12/07/689761207.db2.gz LYVRQPWXAXXJCV-JKSUJKDBSA-N 1 3 313.461 2.190 20 0 DEADHO CC[C@H](CO)[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000931094338 694314742 /nfs/dbraw/zinc/31/47/42/694314742.db2.gz MXXVNCDVZLKZKU-AEFFLSMTSA-N 1 3 321.465 2.146 20 0 DEADHO CC[C@H](CO)[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000931094338 694314748 /nfs/dbraw/zinc/31/47/48/694314748.db2.gz MXXVNCDVZLKZKU-AEFFLSMTSA-N 1 3 321.465 2.146 20 0 DEADHO O=C(N[C@@H]1CCCC[N@H+](CC2CC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001034332347 689812474 /nfs/dbraw/zinc/81/24/74/689812474.db2.gz XXSACLSYZVVGHF-QZTJIDSGSA-N 1 3 319.493 2.242 20 0 DEADHO O=C(N[C@@H]1CCCC[N@@H+](CC2CC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001034332347 689812476 /nfs/dbraw/zinc/81/24/76/689812476.db2.gz XXSACLSYZVVGHF-QZTJIDSGSA-N 1 3 319.493 2.242 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876728666 689918446 /nfs/dbraw/zinc/91/84/46/689918446.db2.gz RVOXYGVIHSQGOH-WFASDCNBSA-N 1 3 305.422 2.069 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CC[C@H]([NH2+]CCF)CC1 ZINC001034795416 689949562 /nfs/dbraw/zinc/94/95/62/689949562.db2.gz CTCILGILEQQKJI-WKILWMFISA-N 1 3 321.440 2.348 20 0 DEADHO Cc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)c1 ZINC001034882377 689978019 /nfs/dbraw/zinc/97/80/19/689978019.db2.gz WHJMOXNTEOSDDW-QZTJIDSGSA-N 1 3 315.461 2.170 20 0 DEADHO c1ccc([C@@H]2C[C@H](NC[C@H]3COCCO3)CC[N@@H+]2C2CC2)cc1 ZINC000876951874 689980894 /nfs/dbraw/zinc/98/08/94/689980894.db2.gz QLUWFXHLDZSQFP-NEWSRXKRSA-N 1 3 316.445 2.360 20 0 DEADHO c1ccc([C@@H]2C[C@H](NC[C@H]3COCCO3)CC[N@H+]2C2CC2)cc1 ZINC000876951874 689980897 /nfs/dbraw/zinc/98/08/97/689980897.db2.gz QLUWFXHLDZSQFP-NEWSRXKRSA-N 1 3 316.445 2.360 20 0 DEADHO C[C@H]([NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH]cn1)c1ccccc1 ZINC001035063595 690023891 /nfs/dbraw/zinc/02/38/91/690023891.db2.gz ZFOKXNQEFWAXBW-WMLDXEAASA-N 1 3 312.417 2.294 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001035126248 690033942 /nfs/dbraw/zinc/03/39/42/690033942.db2.gz WJKPPACAQNRIIO-GOSISDBHSA-N 1 3 315.461 2.171 20 0 DEADHO CC(C)[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001035194601 690055981 /nfs/dbraw/zinc/05/59/81/690055981.db2.gz VJTMOPWLIOSHSC-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[N@H+]1CCC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001035194601 690055983 /nfs/dbraw/zinc/05/59/83/690055983.db2.gz VJTMOPWLIOSHSC-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)N(C)C)CC2 ZINC001035194053 690056231 /nfs/dbraw/zinc/05/62/31/690056231.db2.gz TZINYBMAPKHQSL-INIZCTEOSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)N(C)C)CC2 ZINC001035194053 690056233 /nfs/dbraw/zinc/05/62/33/690056233.db2.gz TZINYBMAPKHQSL-INIZCTEOSA-N 1 3 307.482 2.050 20 0 DEADHO [NH3+]CC1(CC(=O)NC[C@H]2Cc3ccccc3CN2)CCCCC1 ZINC000877343552 690082593 /nfs/dbraw/zinc/08/25/93/690082593.db2.gz MUSVYPBETNENMU-QGZVFWFLSA-N 1 3 315.461 2.116 20 0 DEADHO CC(C)(O)C[NH+]1CCC(NCC[C@@](C)(O)c2ccccc2)CC1 ZINC000877440837 690113802 /nfs/dbraw/zinc/11/38/02/690113802.db2.gz NACNTUKBGMXOHI-LJQANCHMSA-N 1 3 320.477 2.109 20 0 DEADHO CN(C)CCC[N@H+](C)CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000877521739 690138976 /nfs/dbraw/zinc/13/89/76/690138976.db2.gz BUTGXHOJOFXXGD-UHFFFAOYSA-N 1 3 311.470 2.269 20 0 DEADHO CN(C)CCC[N@@H+](C)CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000877521739 690138978 /nfs/dbraw/zinc/13/89/78/690138978.db2.gz BUTGXHOJOFXXGD-UHFFFAOYSA-N 1 3 311.470 2.269 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC2(C[NH+](CCC(C)(C)C)C2)CC1 ZINC001035668250 690147570 /nfs/dbraw/zinc/14/75/70/690147570.db2.gz FJOBKWSZVWDJRW-MRXNPFEDSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC2(C[NH+](CC3CCC3)C2)CC1 ZINC001035798781 690178913 /nfs/dbraw/zinc/17/89/13/690178913.db2.gz OZLRLKAWHRUXAX-INIZCTEOSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CC1CCCC1 ZINC001036052572 690247378 /nfs/dbraw/zinc/24/73/78/690247378.db2.gz AZMJDQOEMBDPOD-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]([NH2+]CC1CC1)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001036420253 690346325 /nfs/dbraw/zinc/34/63/25/690346325.db2.gz YKPRWUXRMDEJFK-HOCLYGCPSA-N 1 3 307.482 2.097 20 0 DEADHO CN(CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC2CCC2)C1)C1CCC1 ZINC001036737982 690454001 /nfs/dbraw/zinc/45/40/01/690454001.db2.gz ZASIPNKIZDEUDK-WMZOPIPTSA-N 1 3 319.493 2.194 20 0 DEADHO CN(CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC2CCC2)C1)C1CCC1 ZINC001036737982 690454003 /nfs/dbraw/zinc/45/40/03/690454003.db2.gz ZASIPNKIZDEUDK-WMZOPIPTSA-N 1 3 319.493 2.194 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CC3CC3)C2)C1 ZINC001036820446 690485455 /nfs/dbraw/zinc/48/54/55/690485455.db2.gz IYMFRIUWMTYIRA-SJORKVTESA-N 1 3 319.493 2.051 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC[C@H]3[C@H](CC[N@H+]3CC3CC3)C2)C1 ZINC001036820446 690485457 /nfs/dbraw/zinc/48/54/57/690485457.db2.gz IYMFRIUWMTYIRA-SJORKVTESA-N 1 3 319.493 2.051 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2[C@H](CC[N@@H+]2CC2CCCC2)C1 ZINC001036830312 690490536 /nfs/dbraw/zinc/49/05/36/690490536.db2.gz SNSOUSMLTCQXMK-NVXWUHKLSA-N 1 3 316.449 2.065 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2[C@H](CC[N@H+]2CC2CCCC2)C1 ZINC001036830312 690490539 /nfs/dbraw/zinc/49/05/39/690490539.db2.gz SNSOUSMLTCQXMK-NVXWUHKLSA-N 1 3 316.449 2.065 20 0 DEADHO CCC(C)(C)NC(=O)[C@@H](C)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248818 690602761 /nfs/dbraw/zinc/60/27/61/690602761.db2.gz VCQPZZFXVGWYGP-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO C[NH+]1CCC2(CCN(Cc3n[nH]c(C(C)(C)C)n3)CC2)CC1 ZINC000879250464 690603243 /nfs/dbraw/zinc/60/32/43/690603243.db2.gz FPNILAZAEKMWIR-UHFFFAOYSA-N 1 3 305.470 2.410 20 0 DEADHO CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CC(C)C ZINC001037851224 690623249 /nfs/dbraw/zinc/62/32/49/690623249.db2.gz JMOQTUQTWNIBLO-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1CN(CC[C@@H]2COC(C)(C)O2)CCN1c1cc[nH+]cc1 ZINC000880258106 690853755 /nfs/dbraw/zinc/85/37/55/690853755.db2.gz CHHMNISWMQBLKM-GDBMZVCRSA-N 1 3 305.422 2.134 20 0 DEADHO CC(C)(C)OC(=O)N1CC(C[NH+]2CCC(C)(N3CCC3)CC2)C1 ZINC000880473490 690906216 /nfs/dbraw/zinc/90/62/16/690906216.db2.gz GARKMVHWGSXPKA-UHFFFAOYSA-N 1 3 323.481 2.414 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CCC1 ZINC001038783437 690925089 /nfs/dbraw/zinc/92/50/89/690925089.db2.gz XPBYBFFCLCWTIR-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CCC1 ZINC001038783437 690925094 /nfs/dbraw/zinc/92/50/94/690925094.db2.gz XPBYBFFCLCWTIR-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001039039299 691000533 /nfs/dbraw/zinc/00/05/33/691000533.db2.gz CGSIQNCQHYUVFA-KRWDZBQOSA-N 1 3 303.450 2.208 20 0 DEADHO CC(C)C[N@H+]1CC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001039039299 691000535 /nfs/dbraw/zinc/00/05/35/691000535.db2.gz CGSIQNCQHYUVFA-KRWDZBQOSA-N 1 3 303.450 2.208 20 0 DEADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001039914755 691163018 /nfs/dbraw/zinc/16/30/18/691163018.db2.gz YXXAVWLTTPKFNT-NRSFXHEJSA-N 1 3 319.493 2.050 20 0 DEADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001039914755 691163021 /nfs/dbraw/zinc/16/30/21/691163021.db2.gz YXXAVWLTTPKFNT-NRSFXHEJSA-N 1 3 319.493 2.050 20 0 DEADHO CN(CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2)C1CCC1 ZINC001040242697 691219457 /nfs/dbraw/zinc/21/94/57/691219457.db2.gz ZTBGGBFABYOUBQ-IBGZPJMESA-N 1 3 319.493 2.195 20 0 DEADHO CN(CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2)C1CCC1 ZINC001040242697 691219461 /nfs/dbraw/zinc/21/94/61/691219461.db2.gz ZTBGGBFABYOUBQ-IBGZPJMESA-N 1 3 319.493 2.195 20 0 DEADHO CC[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CC(C)C)C2)N(C)C ZINC001040261930 691222504 /nfs/dbraw/zinc/22/25/04/691222504.db2.gz QNIZDHZXSDBKQI-SJLPKXTDSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC(C)C)C2)N(C)C ZINC001040261930 691222508 /nfs/dbraw/zinc/22/25/08/691222508.db2.gz QNIZDHZXSDBKQI-SJLPKXTDSA-N 1 3 309.498 2.297 20 0 DEADHO CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001040377994 691239059 /nfs/dbraw/zinc/23/90/59/691239059.db2.gz CCYANOAZWIIBKV-SJLPKXTDSA-N 1 3 309.498 2.297 20 0 DEADHO CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001040377994 691239062 /nfs/dbraw/zinc/23/90/62/691239062.db2.gz CCYANOAZWIIBKV-SJLPKXTDSA-N 1 3 309.498 2.297 20 0 DEADHO CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001040393701 691241190 /nfs/dbraw/zinc/24/11/90/691241190.db2.gz CRCULMQXZJZCIC-SJLPKXTDSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001040393701 691241191 /nfs/dbraw/zinc/24/11/91/691241191.db2.gz CRCULMQXZJZCIC-SJLPKXTDSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC001040395017 691242045 /nfs/dbraw/zinc/24/20/45/691242045.db2.gz NQSLODVDOFCMGE-APWZRJJASA-N 1 3 319.493 2.195 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC001040395017 691242051 /nfs/dbraw/zinc/24/20/51/691242051.db2.gz NQSLODVDOFCMGE-APWZRJJASA-N 1 3 319.493 2.195 20 0 DEADHO CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040422451 691245405 /nfs/dbraw/zinc/24/54/05/691245405.db2.gz MZDRWCZZLDTPBJ-QGZVFWFLSA-N 1 3 304.438 2.067 20 0 DEADHO CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040422451 691245407 /nfs/dbraw/zinc/24/54/07/691245407.db2.gz MZDRWCZZLDTPBJ-QGZVFWFLSA-N 1 3 304.438 2.067 20 0 DEADHO CCCC[NH+]1CCC2(CCN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001040847975 691292543 /nfs/dbraw/zinc/29/25/43/691292543.db2.gz DGSBXMASTOCITR-KRWDZBQOSA-N 1 3 321.509 2.443 20 0 DEADHO C[C@@H](F)CC[NH+]1CCC2(CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001040869903 691294052 /nfs/dbraw/zinc/29/40/52/691294052.db2.gz RCJHSKHCNXSWMF-CQSZACIVSA-N 1 3 322.428 2.015 20 0 DEADHO CC[NH+](CC)CC[C@H](CO)N[C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000883160659 691444505 /nfs/dbraw/zinc/44/45/05/691444505.db2.gz XDJALIFTKCFJAG-XHSDSOJGSA-N 1 3 300.487 2.263 20 0 DEADHO COC(=O)c1ccc(OC)c(CN2CCC([C@H](C)[NH3+])CC2)c1 ZINC000883416943 691502921 /nfs/dbraw/zinc/50/29/21/691502921.db2.gz JAGNNNLPYKNTTG-LBPRGKRZSA-N 1 3 306.406 2.041 20 0 DEADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(CCCOC(F)(F)F)CC1 ZINC000883432331 691508179 /nfs/dbraw/zinc/50/81/79/691508179.db2.gz PIMGVSUWXRECCO-OLZOCXBDSA-N 1 3 310.360 2.131 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])CC2CC2)N(C)C)cc1 ZINC000884178049 691675078 /nfs/dbraw/zinc/67/50/78/691675078.db2.gz BLILZGIZWYOHQL-DLBZAZTESA-N 1 3 303.450 2.095 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CCCC1)N(C)C ZINC001045078671 691935792 /nfs/dbraw/zinc/93/57/92/691935792.db2.gz JHDWSUTXXXDMRL-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccsc1 ZINC001045201202 691951157 /nfs/dbraw/zinc/95/11/57/691951157.db2.gz XHQGMORMCMXDKD-HOCLYGCPSA-N 1 3 321.490 2.313 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000885922317 691963028 /nfs/dbraw/zinc/96/30/28/691963028.db2.gz ANYOAKFLARNDPQ-SFHVURJKSA-N 1 3 323.525 2.486 20 0 DEADHO c1cc(OCC[NH+]2CCCC2)ccc1CN[C@]12C[C@H]1COC2 ZINC000886201769 692022531 /nfs/dbraw/zinc/02/25/31/692022531.db2.gz QCNPZCLXKCOFSW-WMZOPIPTSA-N 1 3 302.418 2.040 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001046316746 692150055 /nfs/dbraw/zinc/15/00/55/692150055.db2.gz QOVAVOANWVNWPT-WMZOPIPTSA-N 1 3 307.482 2.406 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001046316746 692150057 /nfs/dbraw/zinc/15/00/57/692150057.db2.gz QOVAVOANWVNWPT-WMZOPIPTSA-N 1 3 307.482 2.406 20 0 DEADHO CCC[NH+]1CCC(NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)CC1 ZINC000886771619 692188415 /nfs/dbraw/zinc/18/84/15/692188415.db2.gz KZHPCEZBUXFKLG-UOVPBQLFSA-N 1 3 310.482 2.423 20 0 DEADHO CCOC(=O)[C@@]1(F)CN(CCCC2CC[NH2+]CC2)C[C@@H]1CC ZINC000886860063 692212709 /nfs/dbraw/zinc/21/27/09/692212709.db2.gz PNENRMKQFCWPMZ-DOTOQJQBSA-N 1 3 314.445 2.379 20 0 DEADHO CC(C)CNC(=O)CCCN1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134643 692288447 /nfs/dbraw/zinc/28/84/47/692288447.db2.gz NAVZLMHAQLCNDQ-INIZCTEOSA-N 1 3 318.465 2.145 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H](C2CC[NH+](CC)CC2)C1)N(C)C ZINC001047257797 692403242 /nfs/dbraw/zinc/40/32/42/692403242.db2.gz UJFFLKAIFXDYJZ-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H]([NH2+]CC1CCC1)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001048005121 692531298 /nfs/dbraw/zinc/53/12/98/692531298.db2.gz ABLFBBOGEZQCJC-WMZOPIPTSA-N 1 3 321.509 2.345 20 0 DEADHO CCC(CC)C[N@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C1 ZINC001048864113 692712957 /nfs/dbraw/zinc/71/29/57/692712957.db2.gz RXMWGGCBGPSGNG-KSZLIROESA-N 1 3 321.509 2.153 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C1 ZINC001048864113 692712960 /nfs/dbraw/zinc/71/29/60/692712960.db2.gz RXMWGGCBGPSGNG-KSZLIROESA-N 1 3 321.509 2.153 20 0 DEADHO CCCC[N@H+]1C[C@H]2CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049231499 692795408 /nfs/dbraw/zinc/79/54/08/692795408.db2.gz CMONMVRJPISCNA-WNKDZCFJSA-N 1 3 307.482 2.050 20 0 DEADHO CCCC[N@@H+]1C[C@H]2CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049231499 692795410 /nfs/dbraw/zinc/79/54/10/692795410.db2.gz CMONMVRJPISCNA-WNKDZCFJSA-N 1 3 307.482 2.050 20 0 DEADHO CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001049708276 692971074 /nfs/dbraw/zinc/97/10/74/692971074.db2.gz FOSDHTHXDHNDLX-IXDOHACOSA-N 1 3 309.498 2.438 20 0 DEADHO CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001049708276 692971079 /nfs/dbraw/zinc/97/10/79/692971079.db2.gz FOSDHTHXDHNDLX-IXDOHACOSA-N 1 3 309.498 2.438 20 0 DEADHO CC[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cccc(OC)n1 ZINC000924662126 693167955 /nfs/dbraw/zinc/16/79/55/693167955.db2.gz PTAMPDVXLCUIOD-INIZCTEOSA-N 1 3 320.481 2.159 20 0 DEADHO CN(C)C1(C(=O)N2CC3(C2)CC[NH+](CC2CCC2)CC3)CCC1 ZINC001050544699 693204480 /nfs/dbraw/zinc/20/44/80/693204480.db2.gz UEDPMVGZLATJNQ-UHFFFAOYSA-N 1 3 319.493 2.195 20 0 DEADHO CCCC[NH+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001050662445 693226558 /nfs/dbraw/zinc/22/65/58/693226558.db2.gz HRZOISLCZCDPDO-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000925204812 693241276 /nfs/dbraw/zinc/24/12/76/693241276.db2.gz GYAPVDFQVOHCAA-HOCLYGCPSA-N 1 3 307.482 2.430 20 0 DEADHO C[C@@H]1OC[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)[C@@H]1C ZINC000925224187 693243507 /nfs/dbraw/zinc/24/35/07/693243507.db2.gz YGRXACANZFOURC-ZRGWGRIASA-N 1 3 318.461 2.156 20 0 DEADHO CC(C)C(=O)N1CCC([NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925530637 693290148 /nfs/dbraw/zinc/29/01/48/693290148.db2.gz GESIVOMUCDIDML-ZWKOTPCHSA-N 1 3 321.509 2.391 20 0 DEADHO C[C@@H]1NCCC[C@H]1[NH2+]CCNc1ccc(-c2ccccc2)nn1 ZINC000925551475 693295623 /nfs/dbraw/zinc/29/56/23/693295623.db2.gz SLHDKDAIMCDFGK-GOEBONIOSA-N 1 3 311.433 2.286 20 0 DEADHO CCN1CCN(Cc2ccc(N[C@@H]3CCC[NH2+][C@@H]3C)cc2)CC1 ZINC000925571395 693300078 /nfs/dbraw/zinc/30/00/78/693300078.db2.gz HLKKQMRZBURDSO-VQIMIIECSA-N 1 3 316.493 2.377 20 0 DEADHO CC(C)c1nc2n(n1)C[C@H](N[C@@H]1[C@@H]3CCC[NH2+][C@@H]3C1(C)C)CC2 ZINC000925620806 693310535 /nfs/dbraw/zinc/31/05/35/693310535.db2.gz IEXGUYGSDNVKCO-LUYZLQTOSA-N 1 3 317.481 2.083 20 0 DEADHO OC[C@H](Cc1ccc(F)cc1)N[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925651097 693318028 /nfs/dbraw/zinc/31/80/28/693318028.db2.gz WHDNDTIYBLNJRH-OTWHNJEPSA-N 1 3 320.452 2.487 20 0 DEADHO CN1CC[C@H]([N@@H+]2CCOc3ccc(N)cc3C2)[C@H]2CCC[C@@H]21 ZINC000925754900 693335696 /nfs/dbraw/zinc/33/56/96/693335696.db2.gz RQZXHATXAAFBCP-ULQDDVLXSA-N 1 3 301.434 2.336 20 0 DEADHO CN1CC[C@H]([N@H+]2CCOc3ccc(N)cc3C2)[C@H]2CCC[C@@H]21 ZINC000925754900 693335701 /nfs/dbraw/zinc/33/57/01/693335701.db2.gz RQZXHATXAAFBCP-ULQDDVLXSA-N 1 3 301.434 2.336 20 0 DEADHO Cc1c([C@@H](C)NCC[C@@H]2C[NH2+]C[C@H]2C)nnn1-c1ccccc1 ZINC000925799228 693343646 /nfs/dbraw/zinc/34/36/46/693343646.db2.gz OJHCIEMHMKMJMV-IIAWOOMASA-N 1 3 313.449 2.472 20 0 DEADHO C[C@H](NCc1ccc(CN2CC[NH2+]CC2)cc1)c1cccnc1 ZINC000925808936 693345583 /nfs/dbraw/zinc/34/55/83/693345583.db2.gz OLJCPPNOLHQSOB-INIZCTEOSA-N 1 3 310.445 2.338 20 0 DEADHO C[C@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccnc(Cl)c1 ZINC000925850296 693352503 /nfs/dbraw/zinc/35/25/03/693352503.db2.gz IBYLAQYMNUOXKF-WCQYABFASA-N 1 3 323.824 2.071 20 0 DEADHO Cc1nc(C)c([C@@H](C)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)s1 ZINC000925853652 693354033 /nfs/dbraw/zinc/35/40/33/693354033.db2.gz JVPVVSOJQYUPLX-ZWNOBZJWSA-N 1 3 323.462 2.096 20 0 DEADHO COc1ccccc1[C@@H](C)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925854044 693354126 /nfs/dbraw/zinc/35/41/26/693354126.db2.gz JXJLYVSPLNYJAH-ZIAGYGMSSA-N 1 3 318.417 2.031 20 0 DEADHO CC(=O)N1CCC[C@@H](C[NH2+]C2CCN(CCC(C)C)CC2)C1 ZINC000926332522 693433863 /nfs/dbraw/zinc/43/38/63/693433863.db2.gz GGIIUYZUMLPCPA-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H](COC(N)=O)Cc1ccccc1 ZINC000926584103 693474293 /nfs/dbraw/zinc/47/42/93/693474293.db2.gz WNEAQUOQWMOWON-TVXGVJEUSA-N 1 3 317.433 2.037 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCCF)CC1 ZINC001052378483 693518665 /nfs/dbraw/zinc/51/86/65/693518665.db2.gz WGBUQJKFJDIXNN-HZPDHXFCSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCF)CC1 ZINC001052378483 693518669 /nfs/dbraw/zinc/51/86/69/693518669.db2.gz WGBUQJKFJDIXNN-HZPDHXFCSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)CCN1CCC([NH2+][C@H]2CC(=O)N(CC3CC3)C2)CC1 ZINC000926861834 693519945 /nfs/dbraw/zinc/51/99/45/693519945.db2.gz CHXIJOQOVBFQKK-KRWDZBQOSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C/C=C/Cl)CC2)CC[N@@H+]1C ZINC001052393833 693523581 /nfs/dbraw/zinc/52/35/81/693523581.db2.gz RNYQYZKVKVOVEV-XIGIFHAKSA-N 1 3 313.873 2.050 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C/C=C/Cl)CC2)CC[N@H+]1C ZINC001052393833 693523584 /nfs/dbraw/zinc/52/35/84/693523584.db2.gz RNYQYZKVKVOVEV-XIGIFHAKSA-N 1 3 313.873 2.050 20 0 DEADHO CCN1CCC[C@H](N[C@@H](C)c2cccc(C[NH+](C)C)c2)C1=O ZINC000926898843 693526710 /nfs/dbraw/zinc/52/67/10/693526710.db2.gz HDBQLCLDAYUJKU-YOEHRIQHSA-N 1 3 303.450 2.410 20 0 DEADHO CC(C)=CC[N@H+]1CCC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001052703125 693599182 /nfs/dbraw/zinc/59/91/82/693599182.db2.gz QKBPKCAAKCZXOI-SJORKVTESA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001052703125 693599185 /nfs/dbraw/zinc/59/91/85/693599185.db2.gz QKBPKCAAKCZXOI-SJORKVTESA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001052716483 693601599 /nfs/dbraw/zinc/60/15/99/693601599.db2.gz NIQJUMGHKWITPD-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001052716483 693601601 /nfs/dbraw/zinc/60/16/01/693601601.db2.gz NIQJUMGHKWITPD-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001052716485 693601652 /nfs/dbraw/zinc/60/16/52/693601652.db2.gz NIQJUMGHKWITPD-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001052716485 693601654 /nfs/dbraw/zinc/60/16/54/693601654.db2.gz NIQJUMGHKWITPD-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001052713320 693602219 /nfs/dbraw/zinc/60/22/19/693602219.db2.gz UZQFTBJHHLSLRO-DLBZAZTESA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001052713320 693602221 /nfs/dbraw/zinc/60/22/21/693602221.db2.gz UZQFTBJHHLSLRO-DLBZAZTESA-N 1 3 307.482 2.408 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001402230585 1162299125 /nfs/dbraw/zinc/29/91/25/1162299125.db2.gz GSVQUWISJRODTR-SMGNDMQFSA-N 1 3 313.873 2.051 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001402230585 1162299128 /nfs/dbraw/zinc/29/91/28/1162299128.db2.gz GSVQUWISJRODTR-SMGNDMQFSA-N 1 3 313.873 2.051 20 0 DEADHO CC(C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001402393644 1162343020 /nfs/dbraw/zinc/34/30/20/1162343020.db2.gz JEGBDAFDOKRDAH-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001402461413 1162360925 /nfs/dbraw/zinc/36/09/25/1162360925.db2.gz BYZXNBLSXMTLHP-KRWDZBQOSA-N 1 3 321.440 2.165 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001402712901 1162447922 /nfs/dbraw/zinc/44/79/22/1162447922.db2.gz JZENOXGPGYZMLJ-LJQANCHMSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001402712901 1162447923 /nfs/dbraw/zinc/44/79/23/1162447923.db2.gz JZENOXGPGYZMLJ-LJQANCHMSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](F)C[NH2+]C1(CC)CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001402717932 1162449418 /nfs/dbraw/zinc/44/94/18/1162449418.db2.gz SLJZCQDVRYBFGF-HUUCEWRRSA-N 1 3 315.477 2.436 20 0 DEADHO C[NH2+]CCOc1cccc(C(=O)Nc2cccc3c2CNC3)c1 ZINC001354661730 1151918155 /nfs/dbraw/zinc/91/81/55/1151918155.db2.gz ZCPXNWFIHHPGBZ-UHFFFAOYSA-N 1 3 311.385 2.140 20 0 DEADHO CC[C@@H](F)C[NH2+]C1(C)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001402780285 1162469891 /nfs/dbraw/zinc/46/98/91/1162469891.db2.gz GUEWVVLJJXIZGN-CQSZACIVSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)C(C)(C)C1 ZINC001402797833 1162475178 /nfs/dbraw/zinc/47/51/78/1162475178.db2.gz JLYXCWACLKYLED-MRXNPFEDSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)C(C)(C)C1 ZINC001402797833 1162475179 /nfs/dbraw/zinc/47/51/79/1162475179.db2.gz JLYXCWACLKYLED-MRXNPFEDSA-N 1 3 309.498 2.343 20 0 DEADHO C[NH2+]CCCCC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001357981200 1152352396 /nfs/dbraw/zinc/35/23/96/1152352396.db2.gz OGXYPHFMYVTDGI-QGZVFWFLSA-N 1 3 303.450 2.075 20 0 DEADHO C[NH+](C)CC1(O)CCN(Cc2ccc(F)c3cccnc23)CC1 ZINC001414015889 1152509954 /nfs/dbraw/zinc/50/99/54/1152509954.db2.gz BSFNESLOUAXTET-UHFFFAOYSA-N 1 3 317.408 2.262 20 0 DEADHO CC[C@H](C(=O)N[C@H](C[NH2+]Cc1ccsc1)C1CC1)N(C)C ZINC001379873340 1152707452 /nfs/dbraw/zinc/70/74/52/1152707452.db2.gz NWPXWZNLMOQDLJ-HUUCEWRRSA-N 1 3 309.479 2.073 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CCCC2)CC1 ZINC001380081368 1152747368 /nfs/dbraw/zinc/74/73/68/1152747368.db2.gz DTFQTRVSNHTDNH-MRXNPFEDSA-N 1 3 307.482 2.288 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)[C@H](C)CC[NH+](C)C ZINC001362036760 1152808100 /nfs/dbraw/zinc/80/81/00/1152808100.db2.gz ZWRRJJZMXKDGJY-CYBMUJFWSA-N 1 3 307.438 2.283 20 0 DEADHO CC(C)C[NH+]1CCC(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC001362282487 1152868078 /nfs/dbraw/zinc/86/80/78/1152868078.db2.gz RMXBUOAYTUDRMX-GOEBONIOSA-N 1 3 307.482 2.096 20 0 DEADHO CC[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccsc1)N(C)C ZINC001380963563 1152886612 /nfs/dbraw/zinc/88/66/12/1152886612.db2.gz JQQGPDZPOVCCMS-HNNXBMFYSA-N 1 3 311.495 2.369 20 0 DEADHO CC[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccsc1)N(C)C ZINC001380963563 1152886614 /nfs/dbraw/zinc/88/66/14/1152886614.db2.gz JQQGPDZPOVCCMS-HNNXBMFYSA-N 1 3 311.495 2.369 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC1)CC(C)(C)C ZINC001381291624 1152990392 /nfs/dbraw/zinc/99/03/92/1152990392.db2.gz BPCKHJXVRLHRLO-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC1)CC(C)(C)C ZINC001381291624 1152990395 /nfs/dbraw/zinc/99/03/95/1152990395.db2.gz BPCKHJXVRLHRLO-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@@H](NCC=C(Cl)Cl)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001381423179 1153048391 /nfs/dbraw/zinc/04/83/91/1153048391.db2.gz SOGSUESTTCRKCQ-MNOVXSKESA-N 1 3 322.280 2.130 20 0 DEADHO C[C@@H](NCc1cc2ccccc2o1)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001381416938 1153048850 /nfs/dbraw/zinc/04/88/50/1153048850.db2.gz IHAKOWXADZBLIW-ZIAGYGMSSA-N 1 3 317.433 2.367 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)CCc1cccs1 ZINC001381527624 1153110786 /nfs/dbraw/zinc/11/07/86/1153110786.db2.gz GGWMMMMJGZUFCG-CQSZACIVSA-N 1 3 323.506 2.211 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)CCc1cccs1 ZINC001381527624 1153110788 /nfs/dbraw/zinc/11/07/88/1153110788.db2.gz GGWMMMMJGZUFCG-CQSZACIVSA-N 1 3 323.506 2.211 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[N@@H+](C)C[C@@H](C)CC(C)C ZINC001381620758 1153158463 /nfs/dbraw/zinc/15/84/63/1153158463.db2.gz IDDCKZDYHBWPBB-UONOGXRCSA-N 1 3 308.470 2.379 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[N@H+](C)C[C@@H](C)CC(C)C ZINC001381620758 1153158467 /nfs/dbraw/zinc/15/84/67/1153158467.db2.gz IDDCKZDYHBWPBB-UONOGXRCSA-N 1 3 308.470 2.379 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)[C@@H]2CC[C@H]3C[C@H](C)C[N@@H+]3C2)CC1 ZINC001362982326 1153171344 /nfs/dbraw/zinc/17/13/44/1153171344.db2.gz BRIRUMHLCSMADF-BBWFWOEESA-N 1 3 321.509 2.440 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)[C@@H]2CC[C@H]3C[C@H](C)C[N@H+]3C2)CC1 ZINC001362982326 1153171348 /nfs/dbraw/zinc/17/13/48/1153171348.db2.gz BRIRUMHLCSMADF-BBWFWOEESA-N 1 3 321.509 2.440 20 0 DEADHO Cc1cccc(C[NH+]2CC([C@@H](C)NC(=O)CN(C)C(C)C)C2)c1 ZINC001381832202 1153242586 /nfs/dbraw/zinc/24/25/86/1153242586.db2.gz VQCQSLIBRFRCAL-MRXNPFEDSA-N 1 3 317.477 2.272 20 0 DEADHO Cc1cccc(CN2C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C2)c1 ZINC001381878480 1153260696 /nfs/dbraw/zinc/26/06/96/1153260696.db2.gz RSLOEORLFJCQFV-QGZVFWFLSA-N 1 3 317.477 2.273 20 0 DEADHO CC1CC[NH+](CC[C@@H]2CCCN2C[C@@H](O)C2(O)CCCC2)CC1 ZINC001363286875 1153314411 /nfs/dbraw/zinc/31/44/11/1153314411.db2.gz GPDVTAVNXAXCIL-ZWKOTPCHSA-N 1 3 324.509 2.239 20 0 DEADHO CC1CCN(CC[C@@H]2CCC[N@@H+]2C[C@@H](O)C2(O)CCCC2)CC1 ZINC001363286875 1153314418 /nfs/dbraw/zinc/31/44/18/1153314418.db2.gz GPDVTAVNXAXCIL-ZWKOTPCHSA-N 1 3 324.509 2.239 20 0 DEADHO CC1CCN(CC[C@@H]2CCC[N@H+]2C[C@@H](O)C2(O)CCCC2)CC1 ZINC001363286875 1153314421 /nfs/dbraw/zinc/31/44/21/1153314421.db2.gz GPDVTAVNXAXCIL-ZWKOTPCHSA-N 1 3 324.509 2.239 20 0 DEADHO C[C@@H](C(=O)N(C)[C@H](C[NH2+]CC1CC1)C1CC1)N1CCCCCC1 ZINC001382035498 1153326367 /nfs/dbraw/zinc/32/63/67/1153326367.db2.gz VBGDKSYWFQNYCB-MAUKXSAKSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1)N(C)C ZINC001382124151 1153367340 /nfs/dbraw/zinc/36/73/40/1153367340.db2.gz LGZBVMBVCHQSRB-NVXWUHKLSA-N 1 3 305.466 2.209 20 0 DEADHO CC[C@H](F)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC001382364960 1153437443 /nfs/dbraw/zinc/43/74/43/1153437443.db2.gz SUTBJNRJTZMVIZ-UONOGXRCSA-N 1 3 313.461 2.045 20 0 DEADHO C[C@H]1CCC[C@@]1(O)C[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001363619275 1153495068 /nfs/dbraw/zinc/49/50/68/1153495068.db2.gz NPGNISJJFRFCKC-FCCDEINASA-N 1 3 310.482 2.161 20 0 DEADHO CN1C[C@@H]2CC[C@H]([NH2+]CC3(CNC(=O)OC(C)(C)C)CC3)[C@H]2C1 ZINC001363691385 1153558332 /nfs/dbraw/zinc/55/83/32/1153558332.db2.gz ZWDFWCFEVKSLOL-KKUMJFAQSA-N 1 3 323.481 2.221 20 0 DEADHO CN(C)CC(C)(C)C[NH2+]Cc1ccc(C(=O)NC2CC2)cc1 ZINC001363857482 1153673250 /nfs/dbraw/zinc/67/32/50/1153673250.db2.gz JSIGDSCECOVBEN-UHFFFAOYSA-N 1 3 303.450 2.256 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CCc1ccccc1 ZINC001403032586 1162642940 /nfs/dbraw/zinc/64/29/40/1162642940.db2.gz JAZZFJRMWHCKSI-HOTGVXAUSA-N 1 3 305.466 2.052 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccsc3)C2)C1 ZINC001388723968 1155074560 /nfs/dbraw/zinc/07/45/60/1155074560.db2.gz FHHKDHSVKQXHCW-FVQBIDKESA-N 1 3 321.490 2.074 20 0 DEADHO CCC[NH+]1CCC2(C[C@@H]2NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001389522057 1155360706 /nfs/dbraw/zinc/36/07/06/1155360706.db2.gz KLXMSKXXBZHPLD-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)C/C=C\Cl)C1)N(C)C ZINC001389767328 1155420996 /nfs/dbraw/zinc/42/09/96/1155420996.db2.gz VUSAAWBMFXBSLQ-RJXMKIDGSA-N 1 3 315.889 2.250 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H](C[N@@H+](C)C/C=C\Cl)C1)N(C)C ZINC001389767328 1155421008 /nfs/dbraw/zinc/42/10/08/1155421008.db2.gz VUSAAWBMFXBSLQ-RJXMKIDGSA-N 1 3 315.889 2.250 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(CC)c2)C1 ZINC001389821146 1155442355 /nfs/dbraw/zinc/44/23/55/1155442355.db2.gz RDOCJNRSSGMBIO-SFHVURJKSA-N 1 3 317.477 2.281 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC1CC1)N(CC)CC ZINC001370897666 1155620733 /nfs/dbraw/zinc/62/07/33/1155620733.db2.gz MOHMTUPBSGZNBJ-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1CC1CC1)N(CC)CC ZINC001370897666 1155620737 /nfs/dbraw/zinc/62/07/37/1155620737.db2.gz MOHMTUPBSGZNBJ-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCc1cccs1 ZINC001390353716 1155670088 /nfs/dbraw/zinc/67/00/88/1155670088.db2.gz AKNRNWQBHBELFN-HOCLYGCPSA-N 1 3 323.506 2.258 20 0 DEADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccc(F)cc1 ZINC001390476235 1155747600 /nfs/dbraw/zinc/74/76/00/1155747600.db2.gz GMDUCELFRVLIRI-AWEZNQCLSA-N 1 3 323.456 2.398 20 0 DEADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccccc1C)N(C)C ZINC001390711784 1155846557 /nfs/dbraw/zinc/84/65/57/1155846557.db2.gz GRYMSWREQIQUCQ-DOTOQJQBSA-N 1 3 305.466 2.320 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001390715467 1155847577 /nfs/dbraw/zinc/84/75/77/1155847577.db2.gz BQZGQIFZMJHVBI-AWEZNQCLSA-N 1 3 314.433 2.254 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1C ZINC001390815852 1155880573 /nfs/dbraw/zinc/88/05/73/1155880573.db2.gz GIJZJLFTNFXNGC-GOSISDBHSA-N 1 3 319.493 2.438 20 0 DEADHO C[C@H]1CC[N@H+](CC(=O)NCCN(C)Cc2ccc(CF)cc2)C1 ZINC001390819275 1155882373 /nfs/dbraw/zinc/88/23/73/1155882373.db2.gz PIPUHSHVRHUYHM-HNNXBMFYSA-N 1 3 321.440 2.046 20 0 DEADHO C[C@H]1CC[N@@H+](CC(=O)NCCN(C)Cc2ccc(CF)cc2)C1 ZINC001390819275 1155882374 /nfs/dbraw/zinc/88/23/74/1155882374.db2.gz PIPUHSHVRHUYHM-HNNXBMFYSA-N 1 3 321.440 2.046 20 0 DEADHO C[C@H](NCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1F ZINC001391233574 1156270895 /nfs/dbraw/zinc/27/08/95/1156270895.db2.gz ZRXGYKYPAHYHOF-GJZGRUSLSA-N 1 3 321.440 2.277 20 0 DEADHO C[C@H](NCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1F ZINC001391233574 1156270900 /nfs/dbraw/zinc/27/09/00/1156270900.db2.gz ZRXGYKYPAHYHOF-GJZGRUSLSA-N 1 3 321.440 2.277 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCC2)C1)N1CCCC1 ZINC001391566804 1156543490 /nfs/dbraw/zinc/54/34/90/1156543490.db2.gz APWBXXYIDNWRAY-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CCC2)C1)N1CCCC1 ZINC001391566804 1156543503 /nfs/dbraw/zinc/54/35/03/1156543503.db2.gz APWBXXYIDNWRAY-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2CC[N@H+](CCCC3CCC3)C2)CCC1 ZINC001372611496 1156604647 /nfs/dbraw/zinc/60/46/47/1156604647.db2.gz BSEHDNIAIAHUSC-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2CC[N@@H+](CCCC3CCC3)C2)CCC1 ZINC001372611496 1156604669 /nfs/dbraw/zinc/60/46/69/1156604669.db2.gz BSEHDNIAIAHUSC-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CN(CC(=O)NC[C@@H]1CC[N@H+](Cc2ccsc2)C1)C1CCC1 ZINC001372627592 1156617257 /nfs/dbraw/zinc/61/72/57/1156617257.db2.gz OROYWCHPSDQRNI-AWEZNQCLSA-N 1 3 321.490 2.171 20 0 DEADHO CN(CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccsc2)C1)C1CCC1 ZINC001372627592 1156617272 /nfs/dbraw/zinc/61/72/72/1156617272.db2.gz OROYWCHPSDQRNI-AWEZNQCLSA-N 1 3 321.490 2.171 20 0 DEADHO CN(C/C=C\Cl)CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001373322154 1156979011 /nfs/dbraw/zinc/97/90/11/1156979011.db2.gz WJOYYUPDZKDRDQ-UITAMQMPSA-N 1 3 315.889 2.251 20 0 DEADHO C[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)CN(C)CC(C)(C)C ZINC001392512264 1157083620 /nfs/dbraw/zinc/08/36/20/1157083620.db2.gz PXPBITWIFSXSNW-CQSZACIVSA-N 1 3 311.514 2.495 20 0 DEADHO C[C@H](CNCc1ccccc1Cl)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001392523071 1157089765 /nfs/dbraw/zinc/08/97/65/1157089765.db2.gz HMHUCPUYXRZVQS-KGLIPLIRSA-N 1 3 323.868 2.276 20 0 DEADHO C[C@H](CNCc1ccccc1Cl)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001392523071 1157089774 /nfs/dbraw/zinc/08/97/74/1157089774.db2.gz HMHUCPUYXRZVQS-KGLIPLIRSA-N 1 3 323.868 2.276 20 0 DEADHO CCCN(C)CC(=O)NCC1C[NH+](Cc2ccc(C)cc2C)C1 ZINC001373544885 1157090098 /nfs/dbraw/zinc/09/00/98/1157090098.db2.gz FXOZWOQJZZTVEM-UHFFFAOYSA-N 1 3 317.477 2.193 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[N@H+](C)CCc1ccccc1F)N(C)C ZINC001392678147 1157326473 /nfs/dbraw/zinc/32/64/73/1157326473.db2.gz OHRGLIBLNPDOKA-RHSMWYFYSA-N 1 3 323.456 2.145 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[N@@H+](C)CCc1ccccc1F)N(C)C ZINC001392678147 1157326482 /nfs/dbraw/zinc/32/64/82/1157326482.db2.gz OHRGLIBLNPDOKA-RHSMWYFYSA-N 1 3 323.456 2.145 20 0 DEADHO CC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc1cccc(C)c1)N(C)C ZINC001373758669 1157343582 /nfs/dbraw/zinc/34/35/82/1157343582.db2.gz CPXVIGXVGSGKFU-DLBZAZTESA-N 1 3 305.466 2.320 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC2CCC2)[C@@H](CC)C1 ZINC001392811639 1157430744 /nfs/dbraw/zinc/43/07/44/1157430744.db2.gz LDOMBWWHRMJTLU-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO C[NH+](C)CCC(=O)NCC1(NCc2ccc(Cl)cc2)CC1 ZINC001392931017 1157546594 /nfs/dbraw/zinc/54/65/94/1157546594.db2.gz VHUOTFGGOZOTCC-UHFFFAOYSA-N 1 3 309.841 2.030 20 0 DEADHO CC[C@@H](C(=O)NC1(C)CC[NH+](CC2CC(C)C2)CC1)N(C)C ZINC001393071940 1157656009 /nfs/dbraw/zinc/65/60/09/1157656009.db2.gz ZHSNDQBUPCEOIR-GPANFISMSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]C/C=C\Cl ZINC001403439710 1162882990 /nfs/dbraw/zinc/88/29/90/1162882990.db2.gz CUQRAPLJJGJLQE-IIQYJXCPSA-N 1 3 315.889 2.486 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1([NH2+]C/C=C/Cl)CCCC1)N(C)C ZINC001374160631 1157677087 /nfs/dbraw/zinc/67/70/87/1157677087.db2.gz BCZHGGZRDWSACX-RNVIBTMRSA-N 1 3 315.889 2.344 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001374270866 1157789972 /nfs/dbraw/zinc/78/99/72/1157789972.db2.gz JMIYZMUPXHNITK-WMLDXEAASA-N 1 3 321.440 2.165 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CCC[N@H+](C)CC1CC(F)(F)C1 ZINC001393642839 1157892585 /nfs/dbraw/zinc/89/25/85/1157892585.db2.gz XTFZFABIUXBVOP-UHFFFAOYSA-N 1 3 319.440 2.152 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CCC[N@@H+](C)CC1CC(F)(F)C1 ZINC001393642839 1157892587 /nfs/dbraw/zinc/89/25/87/1157892587.db2.gz XTFZFABIUXBVOP-UHFFFAOYSA-N 1 3 319.440 2.152 20 0 DEADHO C[N@H+](CCC(C)(C)C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001393887506 1158047436 /nfs/dbraw/zinc/04/74/36/1158047436.db2.gz WUKLWRYWHLLFFO-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO C[N@@H+](CCC(C)(C)C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001393887506 1158047442 /nfs/dbraw/zinc/04/74/42/1158047442.db2.gz WUKLWRYWHLLFFO-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO Cc1cc(F)ccc1CN(C)[C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001394102441 1158280799 /nfs/dbraw/zinc/28/07/99/1158280799.db2.gz LORALSFBRVMFLQ-HNNXBMFYSA-N 1 3 323.456 2.412 20 0 DEADHO CN(C)C1(C(=O)N[C@@H](C[NH2+]CC2CC(C)(C)C2)C2CC2)CCC1 ZINC001375227656 1158390901 /nfs/dbraw/zinc/39/09/01/1158390901.db2.gz FDWGHJHDEYQKHY-INIZCTEOSA-N 1 3 321.509 2.391 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C1C[NH+](CCC2CCCC2)C1)N(C)C ZINC001394255670 1158397961 /nfs/dbraw/zinc/39/79/61/1158397961.db2.gz AHZOKHWZXPYTSQ-WMLDXEAASA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C1C[NH+](CC2CC3(CCC3)C2)C1)N(C)C ZINC001394265726 1158401581 /nfs/dbraw/zinc/40/15/81/1158401581.db2.gz OIGDEKXNGPOCFQ-WMLDXEAASA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)CCCN1CC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001375320472 1158480358 /nfs/dbraw/zinc/48/03/58/1158480358.db2.gz SPSUMBORRPNFCM-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CC[NH2+][C@H](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001394412091 1158498123 /nfs/dbraw/zinc/49/81/23/1158498123.db2.gz UXHPCCVPYWEFPU-RHSMWYFYSA-N 1 3 315.477 2.339 20 0 DEADHO C[C@@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]CC1CC2(CCC2)C1 ZINC001394528207 1158613318 /nfs/dbraw/zinc/61/33/18/1158613318.db2.gz LPJZISLGHGHBKP-HOTGVXAUSA-N 1 3 321.509 2.345 20 0 DEADHO CCc1ccc(C[N@@H+](C)CCNC(=O)[C@@H](CC)N(C)C)cc1 ZINC001403588787 1163025859 /nfs/dbraw/zinc/02/58/59/1163025859.db2.gz MLZFCQTVLFIXGK-QGZVFWFLSA-N 1 3 305.466 2.137 20 0 DEADHO CCc1ccc(C[N@H+](C)CCNC(=O)[C@@H](CC)N(C)C)cc1 ZINC001403588787 1163025869 /nfs/dbraw/zinc/02/58/69/1163025869.db2.gz MLZFCQTVLFIXGK-QGZVFWFLSA-N 1 3 305.466 2.137 20 0 DEADHO CC(C)[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001376379739 1159374281 /nfs/dbraw/zinc/37/42/81/1159374281.db2.gz UFOBQZQMMCRCTR-BRWVUGGUSA-N 1 3 311.514 2.493 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001376510208 1159491261 /nfs/dbraw/zinc/49/12/61/1159491261.db2.gz HPYLZXWHCNSXAK-UCUFBTAOSA-N 1 3 309.498 2.390 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001376582527 1159571551 /nfs/dbraw/zinc/57/15/51/1159571551.db2.gz XJPSMBWGLOTEDP-OAHLLOKOSA-N 1 3 323.506 2.417 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001376627666 1159613061 /nfs/dbraw/zinc/61/30/61/1159613061.db2.gz FFKRKROUUICSLS-WBVHZDCISA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001376627666 1159613069 /nfs/dbraw/zinc/61/30/69/1159613069.db2.gz FFKRKROUUICSLS-WBVHZDCISA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)NCc1ccccc1F ZINC001403618329 1163052967 /nfs/dbraw/zinc/05/29/67/1163052967.db2.gz TURGOSRXQNIUDU-CABCVRRESA-N 1 3 321.440 2.104 20 0 DEADHO C[C@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1ccccc1F ZINC001403618329 1163052974 /nfs/dbraw/zinc/05/29/74/1163052974.db2.gz TURGOSRXQNIUDU-CABCVRRESA-N 1 3 321.440 2.104 20 0 DEADHO CN(CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC2CC2)C1)CC(C)(C)C ZINC001376986032 1159865512 /nfs/dbraw/zinc/86/55/12/1159865512.db2.gz QFRFDTLSBWHHFW-CVEARBPZSA-N 1 3 309.498 2.391 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2csc(C)c2)C1 ZINC001397101312 1159984628 /nfs/dbraw/zinc/98/46/28/1159984628.db2.gz RWFOLUMURXIZGO-FZNQNYSPSA-N 1 3 323.506 2.383 20 0 DEADHO C[C@@H](c1cccc(F)c1)N(C)CCNC(=O)CCC[NH+](C)C ZINC001403677991 1163085288 /nfs/dbraw/zinc/08/52/88/1163085288.db2.gz YICWJSQHUJRBAP-AWEZNQCLSA-N 1 3 309.429 2.277 20 0 DEADHO CN(C[C@H]1CCN1CC1CCC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001397554700 1160324779 /nfs/dbraw/zinc/32/47/79/1160324779.db2.gz VAQJROKURNLXDE-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C[C@H]1CC[N@@H+]1CC1CCC1)C(=O)C(C)(C)N1CCCC1 ZINC001397554700 1160324787 /nfs/dbraw/zinc/32/47/87/1160324787.db2.gz VAQJROKURNLXDE-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C[C@H]1CC[N@H+]1CC1CCC1)C(=O)C(C)(C)N1CCCC1 ZINC001397554700 1160324794 /nfs/dbraw/zinc/32/47/94/1160324794.db2.gz VAQJROKURNLXDE-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H](F)CC[NH2+][C@@H]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001397683951 1160398854 /nfs/dbraw/zinc/39/88/54/1160398854.db2.gz OLPJYEZUWZDFLX-QLFBSQMISA-N 1 3 313.461 2.093 20 0 DEADHO C[C@H](c1cccc(F)c1)N(C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001403736115 1163124005 /nfs/dbraw/zinc/12/40/05/1163124005.db2.gz PGXRFOSUYDYAOA-HUUCEWRRSA-N 1 3 321.440 2.277 20 0 DEADHO C[C@H](c1cccc(F)c1)N(C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001403736115 1163123995 /nfs/dbraw/zinc/12/39/95/1163123995.db2.gz PGXRFOSUYDYAOA-HUUCEWRRSA-N 1 3 321.440 2.277 20 0 DEADHO C[NH+](C)CC1(C(=O)NCCN(Cc2ccccc2)C2CC2)CC1 ZINC001377548440 1160537121 /nfs/dbraw/zinc/53/71/21/1160537121.db2.gz AKZRBTDXNYPYEP-UHFFFAOYSA-N 1 3 315.461 2.109 20 0 DEADHO CC(C)CC[NH+]1CCC(N(C)C(=O)C2(N(C)C)CCC2)CC1 ZINC001398191514 1160812742 /nfs/dbraw/zinc/81/27/42/1160812742.db2.gz XDULZMXHTWPLQO-UHFFFAOYSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001398550835 1160970104 /nfs/dbraw/zinc/97/01/04/1160970104.db2.gz CPYSOHTVLMCIES-BZSNNMDCSA-N 1 3 317.477 2.380 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001398590938 1161005542 /nfs/dbraw/zinc/00/55/42/1161005542.db2.gz ZHQRNPKRKUJHNC-IAGOWNOFSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001398590938 1161005553 /nfs/dbraw/zinc/00/55/53/1161005553.db2.gz ZHQRNPKRKUJHNC-IAGOWNOFSA-N 1 3 309.498 2.296 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](C)Cc1ccccc1C ZINC001492878140 1161167829 /nfs/dbraw/zinc/16/78/29/1161167829.db2.gz GMJLJTHHVDMMMW-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](C)Cc1ccccc1C ZINC001492878140 1161167831 /nfs/dbraw/zinc/16/78/31/1161167831.db2.gz GMJLJTHHVDMMMW-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001398968305 1161171507 /nfs/dbraw/zinc/17/15/07/1161171507.db2.gz WNZIORFRBNYGKQ-GXTWGEPZSA-N 1 3 317.424 2.000 20 0 DEADHO COc1cccc([C@@H](C)[NH2+][C@H](C)CNC(=O)CN(C)C(C)C)c1 ZINC001399167486 1161266304 /nfs/dbraw/zinc/26/63/04/1161266304.db2.gz PPNBUAFKYAMAHL-HUUCEWRRSA-N 1 3 321.465 2.191 20 0 DEADHO CC[N@H+](CCNC(=O)CN(C)C(C)C)Cc1cccc(C)c1 ZINC001399815996 1161573417 /nfs/dbraw/zinc/57/34/17/1161573417.db2.gz CKEOUPRGTWPQGV-UHFFFAOYSA-N 1 3 305.466 2.273 20 0 DEADHO CC[N@@H+](CCNC(=O)CN(C)C(C)C)Cc1cccc(C)c1 ZINC001399815996 1161573424 /nfs/dbraw/zinc/57/34/24/1161573424.db2.gz CKEOUPRGTWPQGV-UHFFFAOYSA-N 1 3 305.466 2.273 20 0 DEADHO CCC(CC)C[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001400248918 1161699410 /nfs/dbraw/zinc/69/94/10/1161699410.db2.gz DFWUYWAZAXMEIC-HNNXBMFYSA-N 1 3 306.454 2.169 20 0 DEADHO CCC(CC)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001400248918 1161699413 /nfs/dbraw/zinc/69/94/13/1161699413.db2.gz DFWUYWAZAXMEIC-HNNXBMFYSA-N 1 3 306.454 2.169 20 0 DEADHO CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)NCC=C(Cl)Cl ZINC001400913787 1161845435 /nfs/dbraw/zinc/84/54/35/1161845435.db2.gz BVJYNCJKNJKDHW-AAEUAGOBSA-N 1 3 324.296 2.376 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@](C)(C[NH2+]Cc1ccsc1)C1CC1 ZINC001401027321 1161862046 /nfs/dbraw/zinc/86/20/46/1161862046.db2.gz XYFVNOJIZDXFLA-KRWDZBQOSA-N 1 3 323.506 2.463 20 0 DEADHO CC[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)CC(C)(C)C)CC2 ZINC001401091221 1161870746 /nfs/dbraw/zinc/87/07/46/1161870746.db2.gz UYUCXUWWAYZECL-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CC[N@H+]1CCC2(C1)CCN(C(=O)CN(C)CC(C)(C)C)CC2 ZINC001401091221 1161870747 /nfs/dbraw/zinc/87/07/47/1161870747.db2.gz UYUCXUWWAYZECL-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+]CC1CC(C)C1 ZINC001401127204 1161878893 /nfs/dbraw/zinc/87/88/93/1161878893.db2.gz WXRDOIIYBAZKPR-HWOWSKLDSA-N 1 3 309.498 2.249 20 0 DEADHO CC(C)[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC1CCCC1 ZINC001401327881 1161933055 /nfs/dbraw/zinc/93/30/55/1161933055.db2.gz ABXRLDYVFVCHKE-INIZCTEOSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1cccc(F)c1)N(C)C ZINC001401695064 1162078762 /nfs/dbraw/zinc/07/87/62/1162078762.db2.gz PDODHCPDPJJQJW-HEHGZKQESA-N 1 3 309.429 2.321 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCF)NC(=O)c1cccc(CN(C)C)c1 ZINC001401830829 1162147784 /nfs/dbraw/zinc/14/77/84/1162147784.db2.gz TYAURIACMGJFAL-AWEZNQCLSA-N 1 3 309.429 2.158 20 0 DEADHO C[C@@H](C[N@H+](C)CCCF)NC(=O)c1cccc(CN(C)C)c1 ZINC001401830829 1162147781 /nfs/dbraw/zinc/14/77/81/1162147781.db2.gz TYAURIACMGJFAL-AWEZNQCLSA-N 1 3 309.429 2.158 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CC1CC(C)(C)C1)N(C)C ZINC001401936438 1162189078 /nfs/dbraw/zinc/18/90/78/1162189078.db2.gz MMFUCOREOWIBTE-CVEARBPZSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+]1CC1CC(C)(C)C1)N(C)C ZINC001401936438 1162189081 /nfs/dbraw/zinc/18/90/81/1162189081.db2.gz MMFUCOREOWIBTE-CVEARBPZSA-N 1 3 309.498 2.199 20 0 DEADHO C[NH+](C)CCC(=O)NCC1(N[C@@H]2CCc3c2cccc3F)CC1 ZINC001401960733 1162197542 /nfs/dbraw/zinc/19/75/42/1162197542.db2.gz HZJZJPWRPRMERC-MRXNPFEDSA-N 1 3 319.424 2.003 20 0 DEADHO CC(C)C[NH2+]C1(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001401964125 1162199601 /nfs/dbraw/zinc/19/96/01/1162199601.db2.gz NCYMYIKCBGMKSD-QGZVFWFLSA-N 1 3 313.461 2.093 20 0 DEADHO Cc1cc(CNC2(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)cs1 ZINC001401977437 1162205012 /nfs/dbraw/zinc/20/50/12/1162205012.db2.gz IPYBTGCCQDANRR-AWEZNQCLSA-N 1 3 321.490 2.137 20 0 DEADHO Cc1cc(CNC2(CNC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)cs1 ZINC001401977437 1162205017 /nfs/dbraw/zinc/20/50/17/1162205017.db2.gz IPYBTGCCQDANRR-AWEZNQCLSA-N 1 3 321.490 2.137 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]CC1CCC1)C1CCCC1)N(C)C ZINC001402125713 1162253806 /nfs/dbraw/zinc/25/38/06/1162253806.db2.gz LNRJDWBCIDUDBT-IRXDYDNUSA-N 1 3 309.498 2.391 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](NC/C=C\Cl)C(C)(C)C1 ZINC001403828996 1163235593 /nfs/dbraw/zinc/23/55/93/1163235593.db2.gz QCALQQRDLJOAMP-IQCBXXCUSA-N 1 3 315.889 2.297 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC/C=C\Cl)C(C)(C)C1 ZINC001403828996 1163235599 /nfs/dbraw/zinc/23/55/99/1163235599.db2.gz QCALQQRDLJOAMP-IQCBXXCUSA-N 1 3 315.889 2.297 20 0 DEADHO C[C@H](C[NH2+]Cc1ccsc1)N(C)C(=O)CN1CCC(C)CC1 ZINC001405865723 1164299990 /nfs/dbraw/zinc/29/99/90/1164299990.db2.gz DYEHXLDSBWHKET-OAHLLOKOSA-N 1 3 323.506 2.417 20 0 DEADHO CC(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001405866547 1164300332 /nfs/dbraw/zinc/30/03/32/1164300332.db2.gz LXNKVXUIVGOABP-WMLDXEAASA-N 1 3 315.477 2.291 20 0 DEADHO CC(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001405866537 1164300495 /nfs/dbraw/zinc/30/04/95/1164300495.db2.gz LXNKVXUIVGOABP-RHSMWYFYSA-N 1 3 315.477 2.291 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccccc1F)C(C)C)N(C)C ZINC001406067137 1164420803 /nfs/dbraw/zinc/42/08/03/1164420803.db2.gz OHOIFKMJPCSWRA-IRXDYDNUSA-N 1 3 323.456 2.396 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[N@H+](C)CC1CC2(CCC2)C1 ZINC001406704918 1164803889 /nfs/dbraw/zinc/80/38/89/1164803889.db2.gz XJOLXXILHSXXQJ-CYBMUJFWSA-N 1 3 318.465 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[N@@H+](C)CC1CC2(CCC2)C1 ZINC001406704918 1164803895 /nfs/dbraw/zinc/80/38/95/1164803895.db2.gz XJOLXXILHSXXQJ-CYBMUJFWSA-N 1 3 318.465 2.277 20 0 DEADHO CC(C)C[NH2+]C[C@]1(C)CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001407232104 1165057650 /nfs/dbraw/zinc/05/76/50/1165057650.db2.gz HPLPJFOUKRHNCV-SFHVURJKSA-N 1 3 311.514 2.449 20 0 DEADHO CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001407292545 1165091738 /nfs/dbraw/zinc/09/17/38/1165091738.db2.gz DWTKRTSFKGUVQO-KRWDZBQOSA-N 1 3 306.454 2.279 20 0 DEADHO CCCC[N@H+]1CCC[C@@](C)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001407292545 1165091740 /nfs/dbraw/zinc/09/17/40/1165091740.db2.gz DWTKRTSFKGUVQO-KRWDZBQOSA-N 1 3 306.454 2.279 20 0 DEADHO CC[N@H+](CCNC(=O)C1(N(C)C)CCC1)Cc1ccccc1 ZINC001492966102 1165252175 /nfs/dbraw/zinc/25/21/75/1165252175.db2.gz QHAWOJUUIYFCGC-UHFFFAOYSA-N 1 3 303.450 2.109 20 0 DEADHO CC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)Cc1ccccc1 ZINC001492966102 1165252179 /nfs/dbraw/zinc/25/21/79/1165252179.db2.gz QHAWOJUUIYFCGC-UHFFFAOYSA-N 1 3 303.450 2.109 20 0 DEADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C)cc1 ZINC001408083347 1165468147 /nfs/dbraw/zinc/46/81/47/1165468147.db2.gz MYANRIISINYMDV-FUHWJXTLSA-N 1 3 317.477 2.272 20 0 DEADHO C[NH+]1CCC(NC(=O)CN2CCC[C@@H](C3CCCC3)C2)CC1 ZINC001414064526 1165702974 /nfs/dbraw/zinc/70/29/74/1165702974.db2.gz KKQBNCPFYXPHJR-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)(C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CC2)C1)N1CCCC1 ZINC001417769885 1167201328 /nfs/dbraw/zinc/20/13/28/1167201328.db2.gz PQCZEWZANYLTSZ-IYBDPMFKSA-N 1 3 307.482 2.145 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C)sc2C)C1)N(C)C ZINC001418063269 1167390181 /nfs/dbraw/zinc/39/01/81/1167390181.db2.gz GNGFBSXQSTZTCF-JYJNAYRXSA-N 1 3 323.506 2.442 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C)cc1C ZINC001418242944 1167513836 /nfs/dbraw/zinc/51/38/36/1167513836.db2.gz SYRATMHBPIGSEZ-WMZOPIPTSA-N 1 3 319.493 2.484 20 0 DEADHO CC[C@@H](F)CN[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001418266719 1167532853 /nfs/dbraw/zinc/53/28/53/1167532853.db2.gz URCGWHXYZPOZJL-HUUCEWRRSA-N 1 3 315.477 2.341 20 0 DEADHO C[C@@H](CNC(=O)CC[NH+](C)C)N[C@@H](C)c1ccccc1Cl ZINC001418270216 1167535298 /nfs/dbraw/zinc/53/52/98/1167535298.db2.gz UAEUORJXTNNXOP-STQMWFEESA-N 1 3 311.857 2.447 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[NH2+]CC1CCCCCC1 ZINC001418301745 1167561816 /nfs/dbraw/zinc/56/18/16/1167561816.db2.gz IMWQBZKUJXDEGY-ZDUSSCGKSA-N 1 3 306.454 2.325 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[N@H+](C)[C@@H]2CCc3ccccc32)C1 ZINC001418493940 1167714930 /nfs/dbraw/zinc/71/49/30/1167714930.db2.gz IUFOEBGETPAXSE-MAUKXSAKSA-N 1 3 315.461 2.064 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[N@@H+](C)[C@@H]2CCc3ccccc32)C1 ZINC001418493940 1167714938 /nfs/dbraw/zinc/71/49/38/1167714938.db2.gz IUFOEBGETPAXSE-MAUKXSAKSA-N 1 3 315.461 2.064 20 0 DEADHO C[C@H](c1ccccc1)N(C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001418512481 1167742372 /nfs/dbraw/zinc/74/23/72/1167742372.db2.gz OFOIRSUJFXCEEK-CVEARBPZSA-N 1 3 303.450 2.137 20 0 DEADHO C[C@H](c1ccccc1)N(C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001418512481 1167742383 /nfs/dbraw/zinc/74/23/83/1167742383.db2.gz OFOIRSUJFXCEEK-CVEARBPZSA-N 1 3 303.450 2.137 20 0 DEADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccc(Cl)cc1 ZINC001418576643 1167823779 /nfs/dbraw/zinc/82/37/79/1167823779.db2.gz VLXWPPOPGNRPSR-HNNXBMFYSA-N 1 3 323.868 2.230 20 0 DEADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccc(Cl)cc1 ZINC001418576643 1167823781 /nfs/dbraw/zinc/82/37/81/1167823781.db2.gz VLXWPPOPGNRPSR-HNNXBMFYSA-N 1 3 323.868 2.230 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1)N(C)C ZINC001418678937 1167881160 /nfs/dbraw/zinc/88/11/60/1167881160.db2.gz DCKQIVIDNJZQSV-RDJZCZTQSA-N 1 3 321.440 2.104 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C1)N(C)C ZINC001418678937 1167881165 /nfs/dbraw/zinc/88/11/65/1167881165.db2.gz DCKQIVIDNJZQSV-RDJZCZTQSA-N 1 3 321.440 2.104 20 0 DEADHO CN(CC(=O)NCC[N@H+](CC1CCCC1)C1CC1)C1CCC1 ZINC001418762780 1167950774 /nfs/dbraw/zinc/95/07/74/1167950774.db2.gz ZISUZVLOJAVTSO-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO CN(CC(=O)NCC[N@@H+](CC1CCCC1)C1CC1)C1CCC1 ZINC001418762780 1167950775 /nfs/dbraw/zinc/95/07/75/1167950775.db2.gz ZISUZVLOJAVTSO-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN(C)CC(=O)N1CCCCC[C@@H]([NH2+]CC[C@@H](C)F)C1 ZINC001418778180 1167957315 /nfs/dbraw/zinc/95/73/15/1167957315.db2.gz XMMJJRGOJXLZQZ-HZPDHXFCSA-N 1 3 315.477 2.437 20 0 DEADHO CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCN1C)c1ccccc1 ZINC001418819646 1167986276 /nfs/dbraw/zinc/98/62/76/1167986276.db2.gz YZEZSICKSJGWKT-IRXDYDNUSA-N 1 3 303.450 2.280 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001419176193 1168294553 /nfs/dbraw/zinc/29/45/53/1168294553.db2.gz FEHNMFWWFZYOTJ-SFHVURJKSA-N 1 3 317.477 2.336 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001419176193 1168294559 /nfs/dbraw/zinc/29/45/59/1168294559.db2.gz FEHNMFWWFZYOTJ-SFHVURJKSA-N 1 3 317.477 2.336 20 0 DEADHO CC[C@@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]C(C)C ZINC001419255929 1168351120 /nfs/dbraw/zinc/35/11/20/1168351120.db2.gz YJPBRKCRAIIEJH-XJKSGUPXSA-N 1 3 301.450 2.092 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001419413015 1168455454 /nfs/dbraw/zinc/45/54/54/1168455454.db2.gz MQBSJEOFIPNWPA-QBPKDAKJSA-N 1 3 309.498 2.247 20 0 DEADHO CN(C)C1(C(=O)NC[C@@H]2CCC[N@H+](CC3CCC3)C2)CCC1 ZINC001419550382 1168592471 /nfs/dbraw/zinc/59/24/71/1168592471.db2.gz FECIMBJQVBLCNP-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO CN(C)C1(C(=O)NC[C@@H]2CCC[N@@H+](CC3CCC3)C2)CCC1 ZINC001419550382 1168592480 /nfs/dbraw/zinc/59/24/80/1168592480.db2.gz FECIMBJQVBLCNP-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO Cc1cc(C)cc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001419643506 1168736157 /nfs/dbraw/zinc/73/61/57/1168736157.db2.gz BXPGPWNATILGTL-WMZOPIPTSA-N 1 3 317.477 2.334 20 0 DEADHO C[C@@H](C[NH2+]CC1CCCCC1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001419714462 1168816266 /nfs/dbraw/zinc/81/62/66/1168816266.db2.gz GDXANZCMFUWVKL-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1cccc(CN(C)CCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001420037945 1169092307 /nfs/dbraw/zinc/09/23/07/1169092307.db2.gz MLMRGQHMKDKUIX-GOSISDBHSA-N 1 3 317.477 2.227 20 0 DEADHO Cc1cccc(CN(C)CCN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001420037945 1169092316 /nfs/dbraw/zinc/09/23/16/1169092316.db2.gz MLMRGQHMKDKUIX-GOSISDBHSA-N 1 3 317.477 2.227 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001420120181 1169175432 /nfs/dbraw/zinc/17/54/32/1169175432.db2.gz NDBYITFVPMEHAY-IAGOWNOFSA-N 1 3 309.498 2.393 20 0 DEADHO CCN(CC[NH2+][C@@H](C)c1cccc(F)c1)C(=O)[C@@H]1CCCN1C ZINC001420234986 1169265853 /nfs/dbraw/zinc/26/58/53/1169265853.db2.gz IGUVPGITOJEEIE-YOEHRIQHSA-N 1 3 321.440 2.419 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CCF)CC1 ZINC001420762904 1171126245 /nfs/dbraw/zinc/12/62/45/1171126245.db2.gz HRVJUEQRGHMPGF-ZBFHGGJFSA-N 1 3 313.461 2.047 20 0 DEADHO Cc1cc(CNC2(CNC(=O)C3CC[NH+](C)CC3)CC2)cs1 ZINC001420970202 1171388674 /nfs/dbraw/zinc/38/86/74/1171388674.db2.gz RISBPGFYQHKFBG-UHFFFAOYSA-N 1 3 321.490 2.137 20 0 DEADHO CC[C@H](F)CNC1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001421002963 1171420921 /nfs/dbraw/zinc/42/09/21/1171420921.db2.gz ADFLGTPHWUNXFS-LSDHHAIUSA-N 1 3 313.461 2.093 20 0 DEADHO CCC(CC)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001421108016 1171499204 /nfs/dbraw/zinc/49/92/04/1171499204.db2.gz QEBOCVXVEORANE-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[C@@H](C)CN1C[C@@H]2C[C@H]1CN2C(=O)C1(C[NH+](C)C)CC1 ZINC001421220254 1171602450 /nfs/dbraw/zinc/60/24/50/1171602450.db2.gz VKAUXPBGYQWNJY-IKGGRYGDSA-N 1 3 321.509 2.296 20 0 DEADHO O=C(CN1CCCC1)NCCC1CC[NH+](C/C=C/Cl)CC1 ZINC001421637415 1171877789 /nfs/dbraw/zinc/87/77/89/1171877789.db2.gz NIFHXKUMFAUKBU-XVNBXDOJSA-N 1 3 313.873 2.053 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C)cc1C)N(C)C ZINC001421756422 1171968394 /nfs/dbraw/zinc/96/83/94/1171968394.db2.gz DPGVGRINXYZDMX-MAUKXSAKSA-N 1 3 319.493 2.486 20 0 DEADHO CC(C)[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001422110012 1172308860 /nfs/dbraw/zinc/30/88/60/1172308860.db2.gz QEKWIIKVZAJXDM-RDJZCZTQSA-N 1 3 323.525 2.495 20 0 DEADHO CC(C)[C@H](CNC(=O)CN(C)C(C)C)[NH2+]CC1CC(F)(F)C1 ZINC001422132496 1172329769 /nfs/dbraw/zinc/32/97/69/1172329769.db2.gz FIIXIFHEFZXKLT-AWEZNQCLSA-N 1 3 319.440 2.102 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001422316940 1172484473 /nfs/dbraw/zinc/48/44/73/1172484473.db2.gz DOEURLDWOCIKEF-CVEARBPZSA-N 1 3 317.477 2.462 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@H](C)c1ccc(F)cc1 ZINC001422584144 1172729642 /nfs/dbraw/zinc/72/96/42/1172729642.db2.gz BZOLZXSTIOBLFN-ZIAGYGMSSA-N 1 3 309.429 2.323 20 0 DEADHO C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1C[NH+](CC2CC(C)C2)C1 ZINC001422738655 1172837052 /nfs/dbraw/zinc/83/70/52/1172837052.db2.gz IXSOBFIXDYTEGZ-HWOWSKLDSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)C[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001422920511 1172936619 /nfs/dbraw/zinc/93/66/19/1172936619.db2.gz XDBQEVLMYXSYAV-XSLAGTTESA-N 1 3 323.525 2.495 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001422920502 1172936770 /nfs/dbraw/zinc/93/67/70/1172936770.db2.gz XDBQEVLMYXSYAV-MHORFTMASA-N 1 3 323.525 2.495 20 0 DEADHO COC1(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CCCCCC1 ZINC001423039703 1173035618 /nfs/dbraw/zinc/03/56/18/1173035618.db2.gz KCFZMTUOUIJQJQ-GOSISDBHSA-N 1 3 323.525 2.438 20 0 DEADHO COC1(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CCCCCC1 ZINC001423039703 1173035627 /nfs/dbraw/zinc/03/56/27/1173035627.db2.gz KCFZMTUOUIJQJQ-GOSISDBHSA-N 1 3 323.525 2.438 20 0 DEADHO Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)CN(C)C2CCC2)cs1 ZINC001423071985 1173057003 /nfs/dbraw/zinc/05/70/03/1173057003.db2.gz BGLXJBAWCQYQTP-CYBMUJFWSA-N 1 3 323.506 2.477 20 0 DEADHO CCN1CCC(C[NH2+]CC2(S(C)(=O)=O)CCCCC2)CC1 ZINC001423328527 1173245783 /nfs/dbraw/zinc/24/57/83/1173245783.db2.gz KBZAOVWXHWUJEN-UHFFFAOYSA-N 1 3 316.511 2.055 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@H+](CC3CC(C)C3)C2)C1 ZINC001423374029 1173312886 /nfs/dbraw/zinc/31/28/86/1173312886.db2.gz HRFIIPUWOUMLJQ-TVPLGVNVSA-N 1 3 321.509 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@@H+](CC3CC(C)C3)C2)C1 ZINC001423374029 1173312898 /nfs/dbraw/zinc/31/28/98/1173312898.db2.gz HRFIIPUWOUMLJQ-TVPLGVNVSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]CC1CCC1)C1CCCC1 ZINC001423539678 1173394903 /nfs/dbraw/zinc/39/49/03/1173394903.db2.gz ZEOPSEIQSWMGTO-QGZVFWFLSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@H](C)C[NH2+]C1CC(N(C)C(=O)CN2CCC(C)CC2)C1 ZINC001423694149 1173496455 /nfs/dbraw/zinc/49/64/55/1173496455.db2.gz ZCKBRIIFHDGQRO-OOHWJJMZSA-N 1 3 309.498 2.343 20 0 DEADHO CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)C2 ZINC001423984170 1173602469 /nfs/dbraw/zinc/60/24/69/1173602469.db2.gz WTQXZNMMJGYYIN-YVSFHVDLSA-N 1 3 309.498 2.486 20 0 DEADHO CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)C2 ZINC001423984170 1173602472 /nfs/dbraw/zinc/60/24/72/1173602472.db2.gz WTQXZNMMJGYYIN-YVSFHVDLSA-N 1 3 309.498 2.486 20 0 DEADHO CCC[NH2+]C1(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CCC1 ZINC001424212123 1173702642 /nfs/dbraw/zinc/70/26/42/1173702642.db2.gz HQNLCKKREAWBPM-KRWDZBQOSA-N 1 3 313.461 2.237 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)C(C)C)c(C)n1 ZINC001424858167 1173994008 /nfs/dbraw/zinc/99/40/08/1173994008.db2.gz PDJDEQQQIYVHIP-CABCVRRESA-N 1 3 320.481 2.021 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC(N(C)C/C=C/Cl)CC1)[NH+](C)C ZINC001425439580 1174321537 /nfs/dbraw/zinc/32/15/37/1174321537.db2.gz PJLNVKXPOMLGPK-PPYMECGQSA-N 1 3 315.889 2.248 20 0 DEADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC001425682531 1174457614 /nfs/dbraw/zinc/45/76/14/1174457614.db2.gz PLYDVWCKLPNHIL-YJBOKZPZSA-N 1 3 317.477 2.452 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001425960069 1174538280 /nfs/dbraw/zinc/53/82/80/1174538280.db2.gz QCOPNJZFURCKKX-JKSUJKDBSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CC1)C(C)(C)C ZINC001426133754 1174610336 /nfs/dbraw/zinc/61/03/36/1174610336.db2.gz GLCFXWACCNRXFJ-HOTGVXAUSA-N 1 3 309.498 2.390 20 0 DEADHO C[C@H](CC[NH+](C)C)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001433788265 1177993658 /nfs/dbraw/zinc/99/36/58/1177993658.db2.gz CSJSFQDBJRTQDN-NUJGCVRESA-N 1 3 317.477 2.353 20 0 DEADHO C[C@@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001436360065 1179061896 /nfs/dbraw/zinc/06/18/96/1179061896.db2.gz OLMQPNCUVFDPQH-KFWWJZLASA-N 1 3 315.477 2.197 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]C/C=C\Cl)C1)N(C)C ZINC001436421084 1179090710 /nfs/dbraw/zinc/09/07/10/1179090710.db2.gz JJVHCQCFLRQREU-FJKULSFFSA-N 1 3 315.889 2.200 20 0 DEADHO CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001436435665 1179095351 /nfs/dbraw/zinc/09/53/51/1179095351.db2.gz ZUTMUAZGMMTMIN-QZTJIDSGSA-N 1 3 317.477 2.322 20 0 DEADHO CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001436435665 1179095361 /nfs/dbraw/zinc/09/53/61/1179095361.db2.gz ZUTMUAZGMMTMIN-QZTJIDSGSA-N 1 3 317.477 2.322 20 0 DEADHO CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)[C@H]1C ZINC001436487708 1179142569 /nfs/dbraw/zinc/14/25/69/1179142569.db2.gz DXHBZVZEGGCPGW-IXDOHACOSA-N 1 3 309.498 2.486 20 0 DEADHO CCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)[C@H]1C ZINC001436487708 1179142577 /nfs/dbraw/zinc/14/25/77/1179142577.db2.gz DXHBZVZEGGCPGW-IXDOHACOSA-N 1 3 309.498 2.486 20 0 DEADHO CN1CCC[C@H]1C(=O)NCC[N@H+](C)Cc1ccccc1C1CC1 ZINC001437455718 1179810593 /nfs/dbraw/zinc/81/05/93/1179810593.db2.gz YRMVAFUYGPJPSB-SFHVURJKSA-N 1 3 315.461 2.206 20 0 DEADHO CN1CCC[C@H]1C(=O)NCC[N@@H+](C)Cc1ccccc1C1CC1 ZINC001437455718 1179810596 /nfs/dbraw/zinc/81/05/96/1179810596.db2.gz YRMVAFUYGPJPSB-SFHVURJKSA-N 1 3 315.461 2.206 20 0 DEADHO Cc1ccccc1CN(C)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001437567804 1179848314 /nfs/dbraw/zinc/84/83/14/1179848314.db2.gz ZIDBDGTVVXKIBA-IRXDYDNUSA-N 1 3 317.477 2.416 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC001437569400 1179848553 /nfs/dbraw/zinc/84/85/53/1179848553.db2.gz HCHNXSBUIWPLFU-AWEZNQCLSA-N 1 3 319.440 2.200 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC001437569400 1179848555 /nfs/dbraw/zinc/84/85/55/1179848555.db2.gz HCHNXSBUIWPLFU-AWEZNQCLSA-N 1 3 319.440 2.200 20 0 DEADHO CCC(CC)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001437978288 1180125374 /nfs/dbraw/zinc/12/53/74/1180125374.db2.gz ONUIXERXYXSFQA-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CCC(CC)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001437978288 1180125379 /nfs/dbraw/zinc/12/53/79/1180125379.db2.gz ONUIXERXYXSFQA-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1cccc(C)c1 ZINC001438324008 1180344865 /nfs/dbraw/zinc/34/48/65/1180344865.db2.gz CGIVUIHQGAYOOI-AEFFLSMTSA-N 1 3 317.477 2.321 20 0 DEADHO CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]CCC(F)(F)F ZINC001438369171 1180374598 /nfs/dbraw/zinc/37/45/98/1180374598.db2.gz IYTWKNHOXWLEEH-RYUDHWBXSA-N 1 3 311.392 2.009 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001438681450 1180753444 /nfs/dbraw/zinc/75/34/44/1180753444.db2.gz JXYUGAZLRKZZKZ-RDJZCZTQSA-N 1 3 317.477 2.273 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]C/C=C\Cl)C1 ZINC001438761515 1180806437 /nfs/dbraw/zinc/80/64/37/1180806437.db2.gz BVLRYCMLKMWUIS-MSSSOJMCSA-N 1 3 315.889 2.296 20 0 DEADHO CC[C@H](F)CNC1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001440314912 1181444140 /nfs/dbraw/zinc/44/41/40/1181444140.db2.gz NCDPXLJUUIVWEG-GJZGRUSLSA-N 1 3 313.461 2.237 20 0 DEADHO CC[C@H](F)CNC1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CCC1 ZINC001440314912 1181444142 /nfs/dbraw/zinc/44/41/42/1181444142.db2.gz NCDPXLJUUIVWEG-GJZGRUSLSA-N 1 3 313.461 2.237 20 0 DEADHO CC[C@H](C(=O)N(C)CCC[N@H+](C)Cc1cccnc1C)N(C)C ZINC001440431348 1181511663 /nfs/dbraw/zinc/51/16/63/1181511663.db2.gz SNWXZXMTSFTPRB-QGZVFWFLSA-N 1 3 320.481 2.011 20 0 DEADHO CC[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1cccnc1C)N(C)C ZINC001440431348 1181511669 /nfs/dbraw/zinc/51/16/69/1181511669.db2.gz SNWXZXMTSFTPRB-QGZVFWFLSA-N 1 3 320.481 2.011 20 0 DEADHO Cc1cc(CN(C)CCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)cs1 ZINC001440483855 1181549226 /nfs/dbraw/zinc/54/92/26/1181549226.db2.gz QUGVWZNHTMAOSV-MRXNPFEDSA-N 1 3 323.506 2.289 20 0 DEADHO Cc1cc(CN(C)CCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)cs1 ZINC001440483855 1181549238 /nfs/dbraw/zinc/54/92/38/1181549238.db2.gz QUGVWZNHTMAOSV-MRXNPFEDSA-N 1 3 323.506 2.289 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CCC1CC1)N(C)C ZINC001440517350 1181576903 /nfs/dbraw/zinc/57/69/03/1181576903.db2.gz IOKMLEXAGLEGCH-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)CCC1CC1)N(C)C ZINC001440517350 1181576906 /nfs/dbraw/zinc/57/69/06/1181576906.db2.gz IOKMLEXAGLEGCH-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCC1 ZINC001440750854 1181674373 /nfs/dbraw/zinc/67/43/73/1181674373.db2.gz TTWCJXPCZFQJHH-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCC1 ZINC001440750854 1181674378 /nfs/dbraw/zinc/67/43/78/1181674378.db2.gz TTWCJXPCZFQJHH-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CN(CC(=O)N(C)C1CCC([NH2+]CCF)CC1)CC(C)(C)C ZINC001440858139 1181732270 /nfs/dbraw/zinc/73/22/70/1181732270.db2.gz HJAQORANNGMCPW-UHFFFAOYSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001441040390 1181833843 /nfs/dbraw/zinc/83/38/43/1181833843.db2.gz VCQYHVAYVWMDMW-KBPBESRZSA-N 1 3 319.440 2.199 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[N@@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001441040390 1181833844 /nfs/dbraw/zinc/83/38/44/1181833844.db2.gz VCQYHVAYVWMDMW-KBPBESRZSA-N 1 3 319.440 2.199 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]([NH2+]CC2CC(C)(C)C2)C2CC2)CCC1 ZINC001441193934 1181890403 /nfs/dbraw/zinc/89/04/03/1181890403.db2.gz AGTXSBOZFJNZCD-INIZCTEOSA-N 1 3 321.509 2.391 20 0 DEADHO CCCC[N@@H+]1C[C@H](NC(=O)[C@@H](F)CN(CC)CC)C(C)(C)C1 ZINC001441248256 1181912346 /nfs/dbraw/zinc/91/23/46/1181912346.db2.gz RCRWLHBEDQDGRL-GJZGRUSLSA-N 1 3 315.477 2.293 20 0 DEADHO CCCC[N@H+]1C[C@H](NC(=O)[C@@H](F)CN(CC)CC)C(C)(C)C1 ZINC001441248256 1181912352 /nfs/dbraw/zinc/91/23/52/1181912352.db2.gz RCRWLHBEDQDGRL-GJZGRUSLSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CC[C@@H](C)C3)[C@@H]2C1 ZINC001441289142 1181930878 /nfs/dbraw/zinc/93/08/78/1181930878.db2.gz UCTRIJXQBJQGML-TVFCKZIOSA-N 1 3 321.509 2.058 20 0 DEADHO CC(C)CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CC[C@@H](C)C3)[C@@H]2C1 ZINC001441289142 1181930883 /nfs/dbraw/zinc/93/08/83/1181930883.db2.gz UCTRIJXQBJQGML-TVFCKZIOSA-N 1 3 321.509 2.058 20 0 DEADHO CC[C@H](F)C[N@H+](C)C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001441302216 1181937489 /nfs/dbraw/zinc/93/74/89/1181937489.db2.gz ZUMSHMDHRHLIGY-CVEARBPZSA-N 1 3 315.477 2.245 20 0 DEADHO CC[C@H](F)C[N@@H+](C)C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001441302216 1181937496 /nfs/dbraw/zinc/93/74/96/1181937496.db2.gz ZUMSHMDHRHLIGY-CVEARBPZSA-N 1 3 315.477 2.245 20 0 DEADHO CN(CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)CC(C)(C)C ZINC001441442365 1181996599 /nfs/dbraw/zinc/99/65/99/1181996599.db2.gz AGACOPFMBQZXCG-ALOPSCKCSA-N 1 3 321.509 2.486 20 0 DEADHO CN(CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)CC(C)(C)C ZINC001441442365 1181996603 /nfs/dbraw/zinc/99/66/03/1181996603.db2.gz AGACOPFMBQZXCG-ALOPSCKCSA-N 1 3 321.509 2.486 20 0 DEADHO CC[C@@H](F)CN[C@@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001441536394 1182047017 /nfs/dbraw/zinc/04/70/17/1182047017.db2.gz ILHHWFQAMLRQEF-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+][C@H]1CCc2ccccc21 ZINC001441594568 1182079893 /nfs/dbraw/zinc/07/98/93/1182079893.db2.gz CAHGVYJPHHDSFS-GUYCJALGSA-N 1 3 312.417 2.076 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001441844055 1182211044 /nfs/dbraw/zinc/21/10/44/1182211044.db2.gz QHEFGQYDODDPCZ-CQSZACIVSA-N 1 3 307.482 2.145 20 0 DEADHO CCc1cccc(C[NH2+][C@H](C)CNC(=O)CN2CC[C@H](C)C2)c1 ZINC001441942382 1182261219 /nfs/dbraw/zinc/26/12/19/1182261219.db2.gz BZGODBQARZRYKW-JKSUJKDBSA-N 1 3 317.477 2.185 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2F)C1 ZINC001442141433 1182342351 /nfs/dbraw/zinc/34/23/51/1182342351.db2.gz BNQPQBWASYXGEN-HNNXBMFYSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@@H](c1ccccc1)N(C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001442503414 1182504508 /nfs/dbraw/zinc/50/45/08/1182504508.db2.gz KVUCCFGYWLJBMH-HNNXBMFYSA-N 1 3 303.450 2.137 20 0 DEADHO [NH3+]CCCCCCC[NH+]1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001580293114 1182654107 /nfs/dbraw/zinc/65/41/07/1182654107.db2.gz RKPRUHQBIYGBHR-UHFFFAOYSA-N 1 3 323.403 2.286 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001442824602 1182729061 /nfs/dbraw/zinc/72/90/61/1182729061.db2.gz ZXJVIRBPWDLSDV-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001442824602 1182729067 /nfs/dbraw/zinc/72/90/67/1182729067.db2.gz ZXJVIRBPWDLSDV-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)(C(=O)NCC[C@@H]1CC[N@H+](CC2CC2)C1)N1CCCCC1 ZINC001443218059 1182884521 /nfs/dbraw/zinc/88/45/21/1182884521.db2.gz JTBVHMBGFGNQMJ-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)(C(=O)NCC[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCCCC1 ZINC001443218059 1182884524 /nfs/dbraw/zinc/88/45/24/1182884524.db2.gz JTBVHMBGFGNQMJ-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO C[NH+](C)CCCC(=O)NCC1(NCc2ccns2)CCCC1 ZINC001444525883 1183431561 /nfs/dbraw/zinc/43/15/61/1183431561.db2.gz ZBMZFTOHEVZLRY-UHFFFAOYSA-N 1 3 324.494 2.004 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]C/C=C/Cl)C1 ZINC001444811817 1183565219 /nfs/dbraw/zinc/56/52/19/1183565219.db2.gz IZMSQMBWUMOEJF-ODYMAQSMSA-N 1 3 315.889 2.297 20 0 DEADHO C[C@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)CN1CCCC1 ZINC001445090298 1183767314 /nfs/dbraw/zinc/76/73/14/1183767314.db2.gz ZKSLDCQYJPCSGW-MRXNPFEDSA-N 1 3 303.450 2.234 20 0 DEADHO C[C@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)CN1CCCC1 ZINC001445090298 1183767319 /nfs/dbraw/zinc/76/73/19/1183767319.db2.gz ZKSLDCQYJPCSGW-MRXNPFEDSA-N 1 3 303.450 2.234 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]C[C@H]1CCC(F)(F)C1)N(C)C ZINC001445402560 1183862731 /nfs/dbraw/zinc/86/27/31/1183862731.db2.gz OGCVFDLSUTUQMB-RDBSUJKOSA-N 1 3 319.440 2.102 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]C1(CNC(=O)CN(C)C(C)C)CC1 ZINC001446291666 1184297647 /nfs/dbraw/zinc/29/76/47/1184297647.db2.gz CMKJUUFPZLEADH-UHFFFAOYSA-N 1 3 321.440 2.213 20 0 DEADHO Cc1ccc(CN2CC[C@](C)(NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001446546419 1184404290 /nfs/dbraw/zinc/40/42/90/1184404290.db2.gz ZHZDCXFDLFYTLF-IBGZPJMESA-N 1 3 317.477 2.417 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCC1(F)F ZINC001446726921 1184530437 /nfs/dbraw/zinc/53/04/37/1184530437.db2.gz OEKPZHMDZRCJPA-CQSZACIVSA-N 1 3 319.440 2.058 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCC1(F)F ZINC001446726921 1184530446 /nfs/dbraw/zinc/53/04/46/1184530446.db2.gz OEKPZHMDZRCJPA-CQSZACIVSA-N 1 3 319.440 2.058 20 0 DEADHO CC(C)(C(=O)NCC1([NH2+]CC2CCC2)CCC1)N1CCCC1 ZINC001447214095 1184677162 /nfs/dbraw/zinc/67/71/62/1184677162.db2.gz ISDXTKLHGDSORA-UHFFFAOYSA-N 1 3 307.482 2.289 20 0 DEADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)CCC1CCCC1 ZINC001448043391 1185042921 /nfs/dbraw/zinc/04/29/21/1185042921.db2.gz NZRIGLYGJXFFJT-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)CCC1CCCC1 ZINC001448043391 1185042926 /nfs/dbraw/zinc/04/29/26/1185042926.db2.gz NZRIGLYGJXFFJT-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]C/C=C\Cl)CN1C(=O)CN1CCC(C)CC1 ZINC001449000604 1185477830 /nfs/dbraw/zinc/47/78/30/1185477830.db2.gz DDKPEIJFYASKMB-CDNPWBLBSA-N 1 3 313.873 2.050 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001449011755 1185483828 /nfs/dbraw/zinc/48/38/28/1185483828.db2.gz IBOPPFLJTXXJNZ-WMZOPIPTSA-N 1 3 317.477 2.414 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCC3CC3)[C@@H]2C1 ZINC001449027145 1185496323 /nfs/dbraw/zinc/49/63/23/1185496323.db2.gz CHSDNNHFCXMNIT-RCCFBDPRSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]CCc2cccs2)C1 ZINC001449400480 1185702002 /nfs/dbraw/zinc/70/20/02/1185702002.db2.gz HOVVDADNAJGTMR-UHFFFAOYSA-N 1 3 323.506 2.210 20 0 DEADHO C[C@H]1CN(c2cc(OC3CC[NH+](C)CC3)ccn2)[C@@H](C)CN1C ZINC001164631733 719251120 /nfs/dbraw/zinc/25/11/20/719251120.db2.gz FSULFFHHURVWTG-GJZGRUSLSA-N 1 3 318.465 2.083 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1)N(C)C ZINC001370684147 1149827297 /nfs/dbraw/zinc/82/72/97/1149827297.db2.gz WOILTGWDNSFLLK-LLLHUVSDSA-N 1 3 303.450 2.325 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001072832307 790265570 /nfs/dbraw/zinc/26/55/70/790265570.db2.gz DALCQVXICOZEEC-HOTGVXAUSA-N 1 3 309.498 2.153 20 0 DEADHO CC[C@H](C)C[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001072832307 790265574 /nfs/dbraw/zinc/26/55/74/790265574.db2.gz DALCQVXICOZEEC-HOTGVXAUSA-N 1 3 309.498 2.153 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccsc2)C1)N(C)C ZINC001370789394 1149835665 /nfs/dbraw/zinc/83/56/65/1149835665.db2.gz ZGKKDZAWQAUWAQ-GDBMZVCRSA-N 1 3 323.506 2.417 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccsc2)C1)N(C)C ZINC001370789394 1149835667 /nfs/dbraw/zinc/83/56/67/1149835667.db2.gz ZGKKDZAWQAUWAQ-GDBMZVCRSA-N 1 3 323.506 2.417 20 0 DEADHO CN(C)C1(C(=O)N[C@@H](C[NH2+]C/C=C/Cl)C(C)(C)C)CCC1 ZINC001332807932 1149894655 /nfs/dbraw/zinc/89/46/55/1149894655.db2.gz SFFRUJWLYFVAEX-RSPDNQDQSA-N 1 3 315.889 2.344 20 0 DEADHO CC[C@@H](C)C[N@H+]1CC=C(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001333354140 1150038943 /nfs/dbraw/zinc/03/89/43/1150038943.db2.gz DDNFESCDTGVAQC-WBVHZDCISA-N 1 3 309.498 2.367 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CC=C(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001333354140 1150038948 /nfs/dbraw/zinc/03/89/48/1150038948.db2.gz DDNFESCDTGVAQC-WBVHZDCISA-N 1 3 309.498 2.367 20 0 DEADHO CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001106729164 782892908 /nfs/dbraw/zinc/89/29/08/782892908.db2.gz KTWMXMBOCJFROH-ZACQAIPSSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC)CC(C)(C)C1 ZINC001089401357 783069613 /nfs/dbraw/zinc/06/96/13/783069613.db2.gz SGPVJJQRHRBRHJ-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC)CC(C)(C)C1 ZINC001089401357 783069619 /nfs/dbraw/zinc/06/96/19/783069619.db2.gz SGPVJJQRHRBRHJ-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CC2CC2)CC(C)(C)C1 ZINC001089547689 783196458 /nfs/dbraw/zinc/19/64/58/783196458.db2.gz CSUVZFFPCKDLPA-HNNXBMFYSA-N 1 3 318.465 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1 ZINC001089547689 783196467 /nfs/dbraw/zinc/19/64/67/783196467.db2.gz CSUVZFFPCKDLPA-HNNXBMFYSA-N 1 3 318.465 2.277 20 0 DEADHO CC1CC(C[NH2+]CC2(CCNC(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001167224220 776779813 /nfs/dbraw/zinc/77/98/13/776779813.db2.gz HJPDRUJFCZOTQE-AQFXKWCLSA-N 1 3 321.509 2.393 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CC[NH2+]CCC1CC1 ZINC001104294633 776954250 /nfs/dbraw/zinc/95/42/50/776954250.db2.gz UQJQCWPBVBUXGA-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC(C)C)C1)N(C)C ZINC001104691622 778026079 /nfs/dbraw/zinc/02/60/79/778026079.db2.gz QCWCFUHUSXVCIN-ZACQAIPSSA-N 1 3 311.514 2.447 20 0 DEADHO CC[NH+](CC)CCC[C@H](C)N1CCN(c2ncccc2N)CC1 ZINC001167837451 778695657 /nfs/dbraw/zinc/69/56/57/778695657.db2.gz KPFMURFGZWUGTB-INIZCTEOSA-N 1 3 319.497 2.296 20 0 DEADHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2cccc(C)c2)CC1 ZINC001203437677 779250817 /nfs/dbraw/zinc/25/08/17/779250817.db2.gz QQGSMOKUYUYONH-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2ccccc2F)CC1 ZINC001203438024 779258107 /nfs/dbraw/zinc/25/81/07/779258107.db2.gz ZMVMBMCGBKUKJE-UHFFFAOYSA-N 1 3 321.440 2.248 20 0 DEADHO C[C@@H]1CC(NC[C@H]2CCC(=O)N2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168008656 779291891 /nfs/dbraw/zinc/29/18/91/779291891.db2.gz FQXHBUFOOAJVJG-BFYDXBDKSA-N 1 3 315.461 2.296 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CC2CC2)C1)N(C)C ZINC001088330943 779976085 /nfs/dbraw/zinc/97/60/85/779976085.db2.gz MAUWLKHZDMHBNT-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](Cc1ccc(Cl)cc1)N1CCN(CC[NH+](C)C)CC1 ZINC001168171049 780350265 /nfs/dbraw/zinc/35/02/65/780350265.db2.gz UHBDRPUVRDOFOT-OAHLLOKOSA-N 1 3 309.885 2.450 20 0 DEADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]Cc2cccc(F)c2)C1 ZINC001101036228 780952734 /nfs/dbraw/zinc/95/27/34/780952734.db2.gz LFSRMJRBTKGIEM-UHFFFAOYSA-N 1 3 321.440 2.150 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)CC[N@@H+]1CCC1CC1 ZINC001088768855 780968683 /nfs/dbraw/zinc/96/86/83/780968683.db2.gz HLWIMHBXVWIYCM-JLSDUUJJSA-N 1 3 319.493 2.240 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)CC[N@H+]1CCC1CC1 ZINC001088768855 780968689 /nfs/dbraw/zinc/96/86/89/780968689.db2.gz HLWIMHBXVWIYCM-JLSDUUJJSA-N 1 3 319.493 2.240 20 0 DEADHO CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001106910509 783418316 /nfs/dbraw/zinc/41/83/16/783418316.db2.gz AWLNKZRXEILGNM-PMKBXARWSA-N 1 3 309.498 2.369 20 0 DEADHO CN(C[C@@H]1CCN1CCC1CC1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001085668790 783941009 /nfs/dbraw/zinc/94/10/09/783941009.db2.gz KWYMILWOTWEXQE-KRWDZBQOSA-N 1 3 319.493 2.195 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1CCC1CC1 ZINC001085687869 783969017 /nfs/dbraw/zinc/96/90/17/783969017.db2.gz XAZQVXONPPQABN-MSOLQXFVSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1CCC1CC1 ZINC001085687869 783969026 /nfs/dbraw/zinc/96/90/26/783969026.db2.gz XAZQVXONPPQABN-MSOLQXFVSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)CN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001085688952 783969681 /nfs/dbraw/zinc/96/96/81/783969681.db2.gz VJOWUELBYOEZRE-IAGOWNOFSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)CN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001085688952 783969687 /nfs/dbraw/zinc/96/96/87/783969687.db2.gz VJOWUELBYOEZRE-IAGOWNOFSA-N 1 3 309.498 2.296 20 0 DEADHO CCN1CC[C@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967423541 783994513 /nfs/dbraw/zinc/99/45/13/783994513.db2.gz GNWQTLURFJMGPH-MAUKXSAKSA-N 1 3 317.477 2.251 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000967924388 784178478 /nfs/dbraw/zinc/17/84/78/784178478.db2.gz HBMSWFQETYDWSW-HZPDHXFCSA-N 1 3 321.852 2.125 20 0 DEADHO CCCCN1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001085901512 784192831 /nfs/dbraw/zinc/19/28/31/784192831.db2.gz HCSWHVVHUAXZOC-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)CC(C)(C)c1ccccc1 ZINC001144737862 791015711 /nfs/dbraw/zinc/01/57/11/791015711.db2.gz LXNGMTKKVOJRCA-UHFFFAOYSA-N 1 3 318.465 2.418 20 0 DEADHO CC(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001086216860 784497653 /nfs/dbraw/zinc/49/76/53/784497653.db2.gz DGYNRIOTLRBBGY-IXDOHACOSA-N 1 3 309.498 2.390 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000968989277 784680702 /nfs/dbraw/zinc/68/07/02/784680702.db2.gz HFXOTFYXSCKRER-MSOLQXFVSA-N 1 3 317.477 2.272 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1)N(C)C ZINC000969074460 784716307 /nfs/dbraw/zinc/71/63/07/784716307.db2.gz FCCQDLCKXPYCQM-HZPDHXFCSA-N 1 3 323.868 2.371 20 0 DEADHO CC(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001086497244 784794560 /nfs/dbraw/zinc/79/45/60/784794560.db2.gz DGYNRIOTLRBBGY-BRWVUGGUSA-N 1 3 309.498 2.390 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001007457453 784925846 /nfs/dbraw/zinc/92/58/46/784925846.db2.gz NUHFJXCKFAIWFD-DLBZAZTESA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001007457453 784925849 /nfs/dbraw/zinc/92/58/49/784925849.db2.gz NUHFJXCKFAIWFD-DLBZAZTESA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001007498667 784937282 /nfs/dbraw/zinc/93/72/82/784937282.db2.gz LMDHPSKYEZZESK-NVXWUHKLSA-N 1 3 307.482 2.384 20 0 DEADHO CCCN1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001007498667 784937285 /nfs/dbraw/zinc/93/72/85/784937285.db2.gz LMDHPSKYEZZESK-NVXWUHKLSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@@H]1C[C@H](N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)CN1C(=O)OC(C)(C)C ZINC001168882562 784956667 /nfs/dbraw/zinc/95/66/67/784956667.db2.gz OQNUGNPYRIVKET-ZXFNITATSA-N 1 3 323.481 2.268 20 0 DEADHO CCN1CCC([N@@H+]2CCC[C@@]3(C2)COCCN(C(C)C)C3)CC1 ZINC001169250810 785117173 /nfs/dbraw/zinc/11/71/73/785117173.db2.gz SMNAFCFJVKGJGY-LJQANCHMSA-N 1 3 323.525 2.294 20 0 DEADHO CCN1CCC([N@H+]2CCC[C@@]3(C2)COCCN(C(C)C)C3)CC1 ZINC001169250810 785117178 /nfs/dbraw/zinc/11/71/78/785117178.db2.gz SMNAFCFJVKGJGY-LJQANCHMSA-N 1 3 323.525 2.294 20 0 DEADHO CC(C)[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@@H]1C ZINC001415224696 1166175452 /nfs/dbraw/zinc/17/54/52/1166175452.db2.gz BFXGJPGJNNNCCS-DLBZAZTESA-N 1 3 309.498 2.201 20 0 DEADHO CN(C)C1(C(=O)NCC[NH2+]Cc2cccc(Cl)c2)CCC1 ZINC001129358023 785496553 /nfs/dbraw/zinc/49/65/53/785496553.db2.gz PHQXIQSOUYIEQW-UHFFFAOYSA-N 1 3 309.841 2.030 20 0 DEADHO CCC[NH2+]C1CC(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001091376212 791127017 /nfs/dbraw/zinc/12/70/17/791127017.db2.gz PVOJNFDWOZHKRD-UHFFFAOYSA-N 1 3 303.450 2.256 20 0 DEADHO C[NH+](C)CC1(C(=O)N2CCN(CC3CCCCCC3)CC2)CC1 ZINC001113270707 786486556 /nfs/dbraw/zinc/48/65/56/786486556.db2.gz YBHBYXJUENGRBB-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001113676578 786755547 /nfs/dbraw/zinc/75/55/47/786755547.db2.gz XPRDMGGNAQFMLG-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001015052435 786877319 /nfs/dbraw/zinc/87/73/19/786877319.db2.gz LEUXNBZMMRKALV-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001015052435 786877329 /nfs/dbraw/zinc/87/73/29/786877329.db2.gz LEUXNBZMMRKALV-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)(C)CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001015498535 787082044 /nfs/dbraw/zinc/08/20/44/787082044.db2.gz KWAQRSHUAORIHZ-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)(C)CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001015498535 787082053 /nfs/dbraw/zinc/08/20/53/787082053.db2.gz KWAQRSHUAORIHZ-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(C)C ZINC001114263863 787190791 /nfs/dbraw/zinc/19/07/91/787190791.db2.gz ZUQXJYHGEITKGZ-XWTMOSNGSA-N 1 3 321.509 2.342 20 0 DEADHO CC(C)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(C)C ZINC001114263863 787190795 /nfs/dbraw/zinc/19/07/95/787190795.db2.gz ZUQXJYHGEITKGZ-XWTMOSNGSA-N 1 3 321.509 2.342 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001129435304 787213610 /nfs/dbraw/zinc/21/36/10/787213610.db2.gz FCPOLSMANNOMMC-RHSMWYFYSA-N 1 3 303.450 2.102 20 0 DEADHO CCCc1ccc(C[NH2+]CCNC(=O)[C@H](C2CC2)N(C)C)cc1 ZINC001129435289 787213852 /nfs/dbraw/zinc/21/38/52/787213852.db2.gz DTCHNCOPYXNGJY-SFHVURJKSA-N 1 3 317.477 2.185 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+]Cc1ccc(C2CC2)cc1)N(C)C ZINC001130203140 787313271 /nfs/dbraw/zinc/31/32/71/787313271.db2.gz GIIBIUFJKQOBSB-QGZVFWFLSA-N 1 3 303.450 2.110 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+][C@@H]1CCc2c1cccc2Cl)N(C)C ZINC001130203438 787313537 /nfs/dbraw/zinc/31/35/37/787313537.db2.gz LWJREUDROQMSRT-HZPDHXFCSA-N 1 3 323.868 2.373 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+]CCCCc1ccccc1)N(C)C ZINC001130203569 787314337 /nfs/dbraw/zinc/31/43/37/787314337.db2.gz PZGWWKCJSQHJLU-QGZVFWFLSA-N 1 3 305.466 2.055 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001130425401 787386483 /nfs/dbraw/zinc/38/64/83/787386483.db2.gz XTOCRUOPCKSDRY-CYBMUJFWSA-N 1 3 319.440 2.248 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC=C(C)C)CC[N@@H+]1C ZINC001097104230 787981964 /nfs/dbraw/zinc/98/19/64/787981964.db2.gz KVJIHMWTGFBCSH-ILOCAZANSA-N 1 3 319.493 2.404 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC=C(C)C)CC[N@H+]1C ZINC001097104230 787981966 /nfs/dbraw/zinc/98/19/66/787981966.db2.gz KVJIHMWTGFBCSH-ILOCAZANSA-N 1 3 319.493 2.404 20 0 DEADHO C[C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CCC1CC1 ZINC001132888047 788219086 /nfs/dbraw/zinc/21/90/86/788219086.db2.gz KDAORVCWKBXNJN-DOTOQJQBSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CCCCCF ZINC001133134146 788290528 /nfs/dbraw/zinc/29/05/28/788290528.db2.gz AFBAPHFORISUAX-CABCVRRESA-N 1 3 324.444 2.166 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)C1 ZINC001000191545 788336501 /nfs/dbraw/zinc/33/65/01/788336501.db2.gz JTMSNDXFJJOHGF-FUHWJXTLSA-N 1 3 315.461 2.109 20 0 DEADHO CCc1cccc(C[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001133415846 788408242 /nfs/dbraw/zinc/40/82/42/788408242.db2.gz QWTARRNKTXIYIF-QGZVFWFLSA-N 1 3 305.466 2.041 20 0 DEADHO CC(C)[C@H](C(=O)NCC[NH2+]Cc1ccccc1C1CC1)N(C)C ZINC001133418688 788408377 /nfs/dbraw/zinc/40/83/77/788408377.db2.gz CSXASFJKTZJITO-GOSISDBHSA-N 1 3 317.477 2.356 20 0 DEADHO C[C@@H]([NH2+]CCNC(=O)CN1CC[C@@H](C)C1)c1cccc(Cl)c1 ZINC001133846017 788638596 /nfs/dbraw/zinc/63/85/96/788638596.db2.gz RQKNFXSAUPVPNW-ZIAGYGMSSA-N 1 3 323.868 2.449 20 0 DEADHO CC(C)(C)CC[NH2+]CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001133856483 788640742 /nfs/dbraw/zinc/64/07/42/788640742.db2.gz GVKUIQHMPWNAAS-KRWDZBQOSA-N 1 3 315.477 2.341 20 0 DEADHO CC/C=C\CC[NH2+]CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001133856653 788641312 /nfs/dbraw/zinc/64/13/12/788641312.db2.gz MUBFXLALYNJQML-TUYSUELWSA-N 1 3 313.461 2.261 20 0 DEADHO CN(CC(=O)NCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)CC(C)(C)C ZINC001133905984 788666323 /nfs/dbraw/zinc/66/63/23/788666323.db2.gz LSKDAZNYUWMJDD-OWCLPIDISA-N 1 3 309.498 2.106 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+]CC1=CCCCC1 ZINC001134762734 789067877 /nfs/dbraw/zinc/06/78/77/789067877.db2.gz DWIYLCUSDUQGMM-KRWDZBQOSA-N 1 3 307.482 2.456 20 0 DEADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1ocnc1C ZINC001134772872 789073093 /nfs/dbraw/zinc/07/30/93/789073093.db2.gz ILVZIECOJLENCW-STQMWFEESA-N 1 3 324.469 2.086 20 0 DEADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1ocnc1C ZINC001134772872 789073105 /nfs/dbraw/zinc/07/31/05/789073105.db2.gz ILVZIECOJLENCW-STQMWFEESA-N 1 3 324.469 2.086 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]C/C=C/Cl ZINC001134772809 789073347 /nfs/dbraw/zinc/07/33/47/789073347.db2.gz HVGPAONIPALGQW-AYSSICMYSA-N 1 3 303.878 2.342 20 0 DEADHO C[C@H](C[C@H](C)[NH2+]CCCF)NC(=O)CN(C)CC(C)(C)C ZINC001135476318 789364204 /nfs/dbraw/zinc/36/42/04/789364204.db2.gz JJSCEYZBRGBHQQ-UONOGXRCSA-N 1 3 303.466 2.197 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+]CCCCc1ccccc1 ZINC001135511353 789380824 /nfs/dbraw/zinc/38/08/24/789380824.db2.gz OETOGYGPTCYRBA-UHFFFAOYSA-N 1 3 305.466 2.057 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1oc(C)nc1C ZINC001135745984 789475610 /nfs/dbraw/zinc/47/56/10/789475610.db2.gz CRRWWWZHIUKDPK-QWHCGFSZSA-N 1 3 324.469 2.006 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1oc(C)nc1C ZINC001135861615 789536723 /nfs/dbraw/zinc/53/67/23/789536723.db2.gz UROGRAAJKVEICQ-OLZOCXBDSA-N 1 3 324.469 2.006 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1oc(C)nc1C ZINC001135861615 789536726 /nfs/dbraw/zinc/53/67/26/789536726.db2.gz UROGRAAJKVEICQ-OLZOCXBDSA-N 1 3 324.469 2.006 20 0 DEADHO C[C@@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C[N@@H+]1CC1CC1 ZINC001071738619 789899623 /nfs/dbraw/zinc/89/96/23/789899623.db2.gz FXGWJVFNAZFTGU-GDBMZVCRSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C[N@H+]1CC1CC1 ZINC001071738619 789899630 /nfs/dbraw/zinc/89/96/30/789899630.db2.gz FXGWJVFNAZFTGU-GDBMZVCRSA-N 1 3 307.482 2.240 20 0 DEADHO CCC(CC)C[N@@H+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001072811705 790255370 /nfs/dbraw/zinc/25/53/70/790255370.db2.gz CBOKLPWCCXJIGS-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CCC(CC)C[N@H+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001072811705 790255373 /nfs/dbraw/zinc/25/53/73/790255373.db2.gz CBOKLPWCCXJIGS-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001072816214 790257973 /nfs/dbraw/zinc/25/79/73/790257973.db2.gz SMFDETWNJHYOPT-HNNXBMFYSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@H](C)C[N@H+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001072816214 790257976 /nfs/dbraw/zinc/25/79/76/790257976.db2.gz SMFDETWNJHYOPT-HNNXBMFYSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CC2CCCCC2)CCN1C(=O)[C@@H]1CCCN1C ZINC001074564922 791234040 /nfs/dbraw/zinc/23/40/40/791234040.db2.gz JRUBCPSAFHEYEJ-XIRDDKMYSA-N 1 3 307.482 2.240 20 0 DEADHO Cc1cccnc1C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146593148 791317888 /nfs/dbraw/zinc/31/78/88/791317888.db2.gz OGDHDEVJVNVESN-HZPDHXFCSA-N 1 3 320.481 2.103 20 0 DEADHO Cc1cccnc1C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146593144 791318271 /nfs/dbraw/zinc/31/82/71/791318271.db2.gz OGDHDEVJVNVESN-CVEARBPZSA-N 1 3 320.481 2.103 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2)[C@@H]1C ZINC001074877457 791362650 /nfs/dbraw/zinc/36/26/50/791362650.db2.gz BZANDILTAJCOQL-RYRKJORJSA-N 1 3 315.461 2.250 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccsc2)[C@@H]1C)N(C)C ZINC001074885410 791369197 /nfs/dbraw/zinc/36/91/97/791369197.db2.gz BXWNNMUORNGAOA-QEJZJMRPSA-N 1 3 309.479 2.167 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[NH2+]CC1CCC(C)(C)CC1 ZINC001149124579 791557722 /nfs/dbraw/zinc/55/77/22/791557722.db2.gz VLLGVVDKGBMTDY-UHFFFAOYSA-N 1 3 306.454 2.183 20 0 DEADHO CC/C=C\CC[N@@H+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001148278206 791728679 /nfs/dbraw/zinc/72/86/79/791728679.db2.gz ULPWGDUZAPTEHM-CHYADLBTSA-N 1 3 319.493 2.361 20 0 DEADHO CC/C=C\CC[N@H+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001148278206 791728681 /nfs/dbraw/zinc/72/86/81/791728681.db2.gz ULPWGDUZAPTEHM-CHYADLBTSA-N 1 3 319.493 2.361 20 0 DEADHO CCC/C=C\CC[N@@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001148351227 791735290 /nfs/dbraw/zinc/73/52/90/791735290.db2.gz HRIRCIIKRNCYQJ-PLNGDYQASA-N 1 3 316.449 2.233 20 0 DEADHO CCC/C=C\CC[N@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001148351227 791735295 /nfs/dbraw/zinc/73/52/95/791735295.db2.gz HRIRCIIKRNCYQJ-PLNGDYQASA-N 1 3 316.449 2.233 20 0 DEADHO CC(C)=CC[N@H+]1CCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001148315500 791736375 /nfs/dbraw/zinc/73/63/75/791736375.db2.gz MAJWVZHYRDRHLW-UHFFFAOYSA-N 1 3 321.509 2.465 20 0 DEADHO CC(C)=CC[N@@H+]1CCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001148315500 791736379 /nfs/dbraw/zinc/73/63/79/791736379.db2.gz MAJWVZHYRDRHLW-UHFFFAOYSA-N 1 3 321.509 2.465 20 0 DEADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+](CC1CCCC1)C2 ZINC001148458316 791750058 /nfs/dbraw/zinc/75/00/58/791750058.db2.gz MXFPTUAGGBPPIR-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+](CC1CCCC1)C2 ZINC001148458316 791750062 /nfs/dbraw/zinc/75/00/62/791750062.db2.gz MXFPTUAGGBPPIR-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO CCCCCC[N@@H+]1CCC2(CN(C(=O)CN(CC)CC)C2)C1 ZINC001148469223 791751488 /nfs/dbraw/zinc/75/14/88/791751488.db2.gz FPAHSSWGAZQNLA-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CCCCCC[N@H+]1CCC2(CN(C(=O)CN(CC)CC)C2)C1 ZINC001148469223 791751492 /nfs/dbraw/zinc/75/14/92/791751492.db2.gz FPAHSSWGAZQNLA-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCF)C1 ZINC001086883008 791836140 /nfs/dbraw/zinc/83/61/40/791836140.db2.gz BREFGMVOCBFOMI-GOEBONIOSA-N 1 3 321.440 2.206 20 0 DEADHO CC[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001086942558 791857451 /nfs/dbraw/zinc/85/74/51/791857451.db2.gz VIZJIKANPMFKOL-CVEARBPZSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001086942434 791857842 /nfs/dbraw/zinc/85/78/42/791857842.db2.gz QSUXUDBQYAYKOG-IRXDYDNUSA-N 1 3 321.509 2.440 20 0 DEADHO CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001099165219 792123088 /nfs/dbraw/zinc/12/30/88/792123088.db2.gz KFTPSEKECQILTA-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001099165219 792123093 /nfs/dbraw/zinc/12/30/93/792123093.db2.gz KFTPSEKECQILTA-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCCN1CC)C2 ZINC001099540229 792234470 /nfs/dbraw/zinc/23/44/70/792234470.db2.gz SVNRLJLHIQZMLQ-JZXOWHBKSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)CCC[NH2+]C1CC(CNC(=O)CN2CCC[C@H]2C)C1 ZINC001100675850 792782272 /nfs/dbraw/zinc/78/22/72/792782272.db2.gz AIQCAKKWUXTHEN-KLAILNCOSA-N 1 3 309.498 2.391 20 0 DEADHO CCN(CC)CC(=O)NCC1CC([NH2+]Cc2ccccc2F)C1 ZINC001100769700 792832499 /nfs/dbraw/zinc/83/24/99/792832499.db2.gz XEBMXXBNYCZSFV-UHFFFAOYSA-N 1 3 321.440 2.152 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](CCC3CC3)C[C@@]2(C)C1 ZINC001101284835 793101720 /nfs/dbraw/zinc/10/17/20/793101720.db2.gz BKXDBOZMHHGAMJ-APWZRJJASA-N 1 3 321.509 2.297 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](CCC3CC3)C[C@@]2(C)C1 ZINC001101284835 793101724 /nfs/dbraw/zinc/10/17/24/793101724.db2.gz BKXDBOZMHHGAMJ-APWZRJJASA-N 1 3 321.509 2.297 20 0 DEADHO CCOCC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)N(C)CC ZINC001171595641 793143863 /nfs/dbraw/zinc/14/38/63/793143863.db2.gz FRVJRDICHPULKR-HNNXBMFYSA-N 1 3 315.502 2.018 20 0 DEADHO CCCCC[N@@H+]1C[C@@H]2CN(C(=O)CN(CC)CC)C[C@]2(C)C1 ZINC001101400463 793145009 /nfs/dbraw/zinc/14/50/09/793145009.db2.gz XMIMJNCZQGCRHU-AEFFLSMTSA-N 1 3 309.498 2.299 20 0 DEADHO CCCCC[N@H+]1C[C@@H]2CN(C(=O)CN(CC)CC)C[C@]2(C)C1 ZINC001101400463 793145014 /nfs/dbraw/zinc/14/50/14/793145014.db2.gz XMIMJNCZQGCRHU-AEFFLSMTSA-N 1 3 309.498 2.299 20 0 DEADHO CC(=O)N1CCC(C[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171623287 793153599 /nfs/dbraw/zinc/15/35/99/793153599.db2.gz RKIPONQZRPHINE-UHFFFAOYSA-N 1 3 309.498 2.486 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]CCCc1ccsc1 ZINC001171762391 793199046 /nfs/dbraw/zinc/19/90/46/793199046.db2.gz CBXQSJZOTGBDDJ-UHFFFAOYSA-N 1 3 311.495 2.118 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001171769635 793201211 /nfs/dbraw/zinc/20/12/11/793201211.db2.gz BPLBMXAUAVEKCQ-KRWDZBQOSA-N 1 3 321.440 2.251 20 0 DEADHO N[C@H]1CCC[N@@H+]([C@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001171869610 793236853 /nfs/dbraw/zinc/23/68/53/793236853.db2.gz MWNDCWUTXGIKRO-IRXDYDNUSA-N 1 3 301.434 2.104 20 0 DEADHO N[C@H]1CCC[N@H+]([C@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001171869610 793236861 /nfs/dbraw/zinc/23/68/61/793236861.db2.gz MWNDCWUTXGIKRO-IRXDYDNUSA-N 1 3 301.434 2.104 20 0 DEADHO O=C1C[C@H](NC2CC[NH+](C3CCCC3)CC2)CCN1C1CC1 ZINC001172012028 793281207 /nfs/dbraw/zinc/28/12/07/793281207.db2.gz JUGMPMFNCXCLND-OAHLLOKOSA-N 1 3 305.466 2.136 20 0 DEADHO O=C1C[C@H]([NH2+]C2CCN(C3CCCC3)CC2)CCN1C1CC1 ZINC001172012028 793281211 /nfs/dbraw/zinc/28/12/11/793281211.db2.gz JUGMPMFNCXCLND-OAHLLOKOSA-N 1 3 305.466 2.136 20 0 DEADHO CC1(C)C[C@@H](NC[C@H]2COCCO2)CC[N@@H+]1Cc1ccccc1 ZINC001171972985 793285099 /nfs/dbraw/zinc/28/50/99/793285099.db2.gz UYMUGYGOYRECCU-ROUUACIJSA-N 1 3 318.461 2.435 20 0 DEADHO CC1(C)C[C@@H](NC[C@H]2COCCO2)CC[N@H+]1Cc1ccccc1 ZINC001171972985 793285105 /nfs/dbraw/zinc/28/51/05/793285105.db2.gz UYMUGYGOYRECCU-ROUUACIJSA-N 1 3 318.461 2.435 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H](CO)Cc1cccc(F)c1)C2 ZINC001172119428 793341814 /nfs/dbraw/zinc/34/18/14/793341814.db2.gz ZUYCEHBNAVZSJB-FJIDUMEYSA-N 1 3 306.425 2.334 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H](CO)Cc1cccc(F)c1)C2 ZINC001172119428 793341826 /nfs/dbraw/zinc/34/18/26/793341826.db2.gz ZUYCEHBNAVZSJB-FJIDUMEYSA-N 1 3 306.425 2.334 20 0 DEADHO COCCC[NH+]1CCC(N[C@H]2CCc3ccccc3[C@H]2O)CC1 ZINC001172246766 793385823 /nfs/dbraw/zinc/38/58/23/793385823.db2.gz STUBUUVKLDOCRO-RBUKOAKNSA-N 1 3 318.461 2.125 20 0 DEADHO O=C1C[C@@H]([NH2+]CCCN2CCCC2)CCN1Cc1ccccc1 ZINC001172661785 793466388 /nfs/dbraw/zinc/46/63/88/793466388.db2.gz PEWRJYSPIYFKIS-SFHVURJKSA-N 1 3 315.461 2.253 20 0 DEADHO O=C1C[C@@H](NCCC[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC001172661785 793466394 /nfs/dbraw/zinc/46/63/94/793466394.db2.gz PEWRJYSPIYFKIS-SFHVURJKSA-N 1 3 315.461 2.253 20 0 DEADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](CCC(C)C)C[C@H]1C ZINC001102101258 793504791 /nfs/dbraw/zinc/50/47/91/793504791.db2.gz UURXMYRDUORSRQ-HZPDHXFCSA-N 1 3 311.514 2.447 20 0 DEADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001102101258 793504795 /nfs/dbraw/zinc/50/47/95/793504795.db2.gz UURXMYRDUORSRQ-HZPDHXFCSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)(C)C1)C2 ZINC001094999896 793567759 /nfs/dbraw/zinc/56/77/59/793567759.db2.gz PDHVLRAFBZYFAA-XHSDSOJGSA-N 1 3 307.482 2.096 20 0 DEADHO CCOC(=O)C[C@H]1CC[C@@H](N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001173653452 793812095 /nfs/dbraw/zinc/81/20/95/793812095.db2.gz VDRVDGIGRWTZEL-DOTOQJQBSA-N 1 3 317.433 2.326 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]CC1CCCCCC1 ZINC001174683853 794040755 /nfs/dbraw/zinc/04/07/55/794040755.db2.gz VYIDCQSDUCCJGK-UHFFFAOYSA-N 1 3 306.454 2.327 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]CC1CCC2(CC2)CC1 ZINC001174691469 794041951 /nfs/dbraw/zinc/04/19/51/794041951.db2.gz MJQCBNNVHIGQMY-UHFFFAOYSA-N 1 3 318.465 2.327 20 0 DEADHO Cc1ncc(CNCCCC[C@@H](C)NC(=O)CCC[NH+](C)C)o1 ZINC001174950907 794109382 /nfs/dbraw/zinc/10/93/82/794109382.db2.gz ZSEOEHWGNXFWQY-CQSZACIVSA-N 1 3 324.469 2.089 20 0 DEADHO Cc1cnccc1Nc1ccc(C(=O)NCCC[NH+](C)C)cc1 ZINC001175819587 794300248 /nfs/dbraw/zinc/30/02/48/794300248.db2.gz NBMMAHKBYOJMCH-UHFFFAOYSA-N 1 3 312.417 2.237 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCCC[NH2+]C/C=C/Cl ZINC001176352045 794412770 /nfs/dbraw/zinc/41/27/70/794412770.db2.gz ZEPPIXCFOIISBZ-PZBABLGHSA-N 1 3 312.845 2.278 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCCC[NH2+]C/C=C\Cl ZINC001176352044 794413171 /nfs/dbraw/zinc/41/31/71/794413171.db2.gz ZEPPIXCFOIISBZ-HWPRWLFBSA-N 1 3 312.845 2.278 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1cccnc1 ZINC001176753761 794497176 /nfs/dbraw/zinc/49/71/76/794497176.db2.gz MLBBUTZKWQMEMU-MRXNPFEDSA-N 1 3 320.481 2.186 20 0 DEADHO C[C@H](F)CC[NH2+]CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001176889740 794522234 /nfs/dbraw/zinc/52/22/34/794522234.db2.gz AYDUSEJGDQDZJA-AWEZNQCLSA-N 1 3 309.429 2.206 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NCCC[NH2+]C/C=C/Cl ZINC001176953642 794539344 /nfs/dbraw/zinc/53/93/44/794539344.db2.gz PXZJWCVRUUEVDB-WEVVVXLNSA-N 1 3 309.841 2.210 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[NH2+]CCCCc1ccccc1 ZINC001176971558 794542775 /nfs/dbraw/zinc/54/27/75/794542775.db2.gz CYPMFURLGLSUOQ-UHFFFAOYSA-N 1 3 319.493 2.445 20 0 DEADHO CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C(F)(F)F ZINC001112120159 794562293 /nfs/dbraw/zinc/56/22/93/794562293.db2.gz GIWLGJGKWZLHMZ-JHJVBQTASA-N 1 3 323.403 2.106 20 0 DEADHO CC[NH2+]CCCN(CC1CCCC1)C(=O)CN1CC[C@@H](C)C1 ZINC001177415554 794666150 /nfs/dbraw/zinc/66/61/50/794666150.db2.gz CCBGVSRNUOGOKF-MRXNPFEDSA-N 1 3 309.498 2.347 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1([NH2+]CCCF)CCCCC1)N(C)C ZINC001115582390 794829210 /nfs/dbraw/zinc/82/92/10/794829210.db2.gz YFLPTTIWXILYFS-HNNXBMFYSA-N 1 3 315.477 2.341 20 0 DEADHO CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@@H](CC)N(C)C)CCCCC1 ZINC001115592220 794831584 /nfs/dbraw/zinc/83/15/84/794831584.db2.gz ZFYALCFKYWYGGK-HUUCEWRRSA-N 1 3 315.477 2.483 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]C/C=C\Cl)CCCCC1)N(C)C ZINC001115734286 794900358 /nfs/dbraw/zinc/90/03/58/794900358.db2.gz GRFSRRVFISADCP-MSKHEQNASA-N 1 3 315.889 2.488 20 0 DEADHO C[C@H](F)CC[NH2+]CCCCCCNC(=O)C1(N(C)C)CCC1 ZINC001178693418 794976441 /nfs/dbraw/zinc/97/64/41/794976441.db2.gz QFRFMXTXGGOMEP-HNNXBMFYSA-N 1 3 315.477 2.485 20 0 DEADHO CCOCCC[NH2+]CCCCCCNC(=O)CN(CC)CC ZINC001179850631 795188192 /nfs/dbraw/zinc/18/81/92/795188192.db2.gz JEOQYONVSUBJLI-UHFFFAOYSA-N 1 3 315.502 2.021 20 0 DEADHO CCCN(C)CC(=O)NCCCCCC[NH2+]CC[C@H](C)F ZINC001180123288 795244715 /nfs/dbraw/zinc/24/47/15/795244715.db2.gz FMWABMHVCNJUSO-HNNXBMFYSA-N 1 3 303.466 2.343 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CCF ZINC001180372894 795293056 /nfs/dbraw/zinc/29/30/56/795293056.db2.gz LUPARYOKEUAFMM-HNNXBMFYSA-N 1 3 301.450 2.097 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001181653355 795513502 /nfs/dbraw/zinc/51/35/02/795513502.db2.gz YTVBPQHYBMTTOO-CHWSQXEVSA-N 1 3 321.387 2.004 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CC2)C1 ZINC001181672325 795518944 /nfs/dbraw/zinc/51/89/44/795518944.db2.gz VAKKELJTPVTMTC-SZVBFZGTSA-N 1 3 321.509 2.345 20 0 DEADHO Cc1cccc(N2CCN(CCCNc3cc[nH+]cc3)CC2)c1 ZINC001120779373 795530138 /nfs/dbraw/zinc/53/01/38/795530138.db2.gz FNDZPFWXUBUZGN-UHFFFAOYSA-N 1 3 310.445 2.436 20 0 DEADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCN(C)Cc1ccccc1 ZINC001181994588 795577317 /nfs/dbraw/zinc/57/73/17/795577317.db2.gz LHYPNLPFWGGWJV-GOSISDBHSA-N 1 3 317.477 2.451 20 0 DEADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCN(C)Cc1ccccc1 ZINC001181994588 795577319 /nfs/dbraw/zinc/57/73/19/795577319.db2.gz LHYPNLPFWGGWJV-GOSISDBHSA-N 1 3 317.477 2.451 20 0 DEADHO CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@H](CC)N(C)C)C2)C1 ZINC001121798640 795688845 /nfs/dbraw/zinc/68/88/45/795688845.db2.gz SNFOEAISLHJWPJ-XZZVAGQJSA-N 1 3 309.498 2.390 20 0 DEADHO CC[C@@H](C(=O)NC1CC2(C1)CC([NH2+]C/C=C\Cl)C2)N(C)C ZINC001121798987 795689458 /nfs/dbraw/zinc/68/94/58/795689458.db2.gz VUJGWNUWHDLQJV-NIWYNJMRSA-N 1 3 313.873 2.096 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1CC2(C1)CC([NH2+]CCC(C)C)C2 ZINC001122117653 795727854 /nfs/dbraw/zinc/72/78/54/795727854.db2.gz AKZNGOJTQCGKBY-UHFFFAOYSA-N 1 3 318.465 2.324 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1)N(C)C ZINC001183365337 795856727 /nfs/dbraw/zinc/85/67/27/795856727.db2.gz GDHWWCIDZFIRFM-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1)N(C)C ZINC001183365337 795856732 /nfs/dbraw/zinc/85/67/32/795856732.db2.gz GDHWWCIDZFIRFM-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1)N(C)C ZINC001183450248 795874697 /nfs/dbraw/zinc/87/46/97/795874697.db2.gz LICKTDSZIBRZNL-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@H](c1ccccc1)C(C)C ZINC001183580366 795896332 /nfs/dbraw/zinc/89/63/32/795896332.db2.gz AYPJEEABFNUXOJ-INIZCTEOSA-N 1 3 318.465 2.490 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001183765539 795926647 /nfs/dbraw/zinc/92/66/47/795926647.db2.gz VEGJIOGCTISXMH-MRXNPFEDSA-N 1 3 321.509 2.488 20 0 DEADHO CCC[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001185380726 796245294 /nfs/dbraw/zinc/24/52/94/796245294.db2.gz MFYPROVQLGWPPY-SJORKVTESA-N 1 3 309.498 2.203 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]C/C=C\Cl)[C@H](C)C1 ZINC001185551260 796279965 /nfs/dbraw/zinc/27/99/65/796279965.db2.gz YRAVUSYMFFKCHH-JFOCPDPESA-N 1 3 315.889 2.155 20 0 DEADHO CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001185651329 796299542 /nfs/dbraw/zinc/29/95/42/796299542.db2.gz YEEPRWOKQKDFEW-SDKBWNRFSA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]CCC2CC2)[C@H](C)C1 ZINC001185750975 796315303 /nfs/dbraw/zinc/31/53/03/796315303.db2.gz NGPVFZTYWHQGJG-NVXWUHKLSA-N 1 3 309.498 2.201 20 0 DEADHO CN(Cc1cccc(F)c1)C1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC001202899532 796332246 /nfs/dbraw/zinc/33/22/46/796332246.db2.gz NFRMJEOODFBMEA-INIZCTEOSA-N 1 3 319.424 2.001 20 0 DEADHO CC[NH+](CC)[C@H](C(=O)N1CC[C@@H](NC/C=C/Cl)C1)C(C)C ZINC001186420687 796404613 /nfs/dbraw/zinc/40/46/13/796404613.db2.gz QZNFWMQYOOEXOM-MMCPSDEHSA-N 1 3 315.889 2.296 20 0 DEADHO C[NH+](C)CCCCC(=O)N1CC[C@@H](NCc2ccsc2)C1 ZINC001187231521 796502100 /nfs/dbraw/zinc/50/21/00/796502100.db2.gz NQBAQVOQLMMWMD-OAHLLOKOSA-N 1 3 309.479 2.171 20 0 DEADHO CC(C)C[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203028331 796514594 /nfs/dbraw/zinc/51/45/94/796514594.db2.gz LTTIGPUZZGYYQM-GJZGRUSLSA-N 1 3 307.482 2.144 20 0 DEADHO CC1CCN(CC(=O)N2CCC([NH2+]C/C=C/Cl)CC2)CC1 ZINC001203047121 796539584 /nfs/dbraw/zinc/53/95/84/796539584.db2.gz ULWKKKVENQJHTR-FARCUNLSSA-N 1 3 313.873 2.051 20 0 DEADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c(C)s1 ZINC001188139838 796631809 /nfs/dbraw/zinc/63/18/09/796631809.db2.gz RVOULXHZZXRIFO-MRXNPFEDSA-N 1 3 323.506 2.396 20 0 DEADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1csc2c1CCCC2 ZINC001150986334 796998419 /nfs/dbraw/zinc/99/84/19/796998419.db2.gz HMVIQQKVSTXOOK-UHFFFAOYSA-N 1 3 322.478 2.304 20 0 DEADHO CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001190667539 797044470 /nfs/dbraw/zinc/04/44/70/797044470.db2.gz VFPDMLHIFMJBAG-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001190667539 797044478 /nfs/dbraw/zinc/04/44/78/797044478.db2.gz VFPDMLHIFMJBAG-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)=CCN(C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001190744019 797068848 /nfs/dbraw/zinc/06/88/48/797068848.db2.gz OHSAUBOGENKYMC-IAGOWNOFSA-N 1 3 307.482 2.360 20 0 DEADHO CC(C)=CCN(C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001190744019 797068855 /nfs/dbraw/zinc/06/88/55/797068855.db2.gz OHSAUBOGENKYMC-IAGOWNOFSA-N 1 3 307.482 2.360 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCCCCF)C1)N(C)C ZINC001190775982 797074937 /nfs/dbraw/zinc/07/49/37/797074937.db2.gz LKRMDXPVDNVKIZ-CVEARBPZSA-N 1 3 315.477 2.245 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCCCF)C1)N(C)C ZINC001190775982 797074941 /nfs/dbraw/zinc/07/49/41/797074941.db2.gz LKRMDXPVDNVKIZ-CVEARBPZSA-N 1 3 315.477 2.245 20 0 DEADHO CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001192353232 797369851 /nfs/dbraw/zinc/36/98/51/797369851.db2.gz BSBZVZZJGUWIBC-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001192353232 797369858 /nfs/dbraw/zinc/36/98/58/797369858.db2.gz BSBZVZZJGUWIBC-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001192356180 797371620 /nfs/dbraw/zinc/37/16/20/797371620.db2.gz WVXFYJUENJYILY-WBVHZDCISA-N 1 3 309.498 2.297 20 0 DEADHO CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001192356180 797371630 /nfs/dbraw/zinc/37/16/30/797371630.db2.gz WVXFYJUENJYILY-WBVHZDCISA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+](CCCCCF)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001153854691 797411110 /nfs/dbraw/zinc/41/11/10/797411110.db2.gz QIEWBSIXGFLABA-OAHLLOKOSA-N 1 3 315.477 2.437 20 0 DEADHO CC[N@@H+](CCCCCF)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001153854691 797411114 /nfs/dbraw/zinc/41/11/14/797411114.db2.gz QIEWBSIXGFLABA-OAHLLOKOSA-N 1 3 315.477 2.437 20 0 DEADHO C[C@@H]1C[NH2+]CCC[C@H]1CNc1cc(Cl)nc2c1CCNC2 ZINC001155031265 797664512 /nfs/dbraw/zinc/66/45/12/797664512.db2.gz MHHZEOLCNLKXKK-NEPJUHHUSA-N 1 3 308.857 2.428 20 0 DEADHO CC[N@H+](C/C=C\Cl)[C@H](C)CNC(=O)c1cnccc1N(C)C ZINC001156428369 797998204 /nfs/dbraw/zinc/99/82/04/797998204.db2.gz KZHSKZQYIBONED-FWPCIQOSSA-N 1 3 324.856 2.340 20 0 DEADHO CC[N@@H+](C/C=C\Cl)[C@H](C)CNC(=O)c1cnccc1N(C)C ZINC001156428369 797998208 /nfs/dbraw/zinc/99/82/08/797998208.db2.gz KZHSKZQYIBONED-FWPCIQOSSA-N 1 3 324.856 2.340 20 0 DEADHO Cc1cnc(-n2cncc2CNCc2ccccc2)c(C[NH3+])c1 ZINC001156496697 798016097 /nfs/dbraw/zinc/01/60/97/798016097.db2.gz SXHCALNPUCQIDI-UHFFFAOYSA-N 1 3 307.401 2.324 20 0 DEADHO CC/C=C/CCN1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196952795 798129888 /nfs/dbraw/zinc/12/98/88/798129888.db2.gz CSJHVPFWUDVUEI-AATRIKPKSA-N 1 3 307.482 2.219 20 0 DEADHO CC[C@H](C(=O)N1CCC[N@H+](CCC2CC2)CC1)N(CC)CC ZINC001197142016 798147339 /nfs/dbraw/zinc/14/73/39/798147339.db2.gz RTORKYYHIUSBDY-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@H](C(=O)N1CCC[N@@H+](CCC2CC2)CC1)N(CC)CC ZINC001197142016 798147341 /nfs/dbraw/zinc/14/73/41/798147341.db2.gz RTORKYYHIUSBDY-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]C/C=C/Cl)CC1 ZINC001203903067 798324901 /nfs/dbraw/zinc/32/49/01/798324901.db2.gz KPAQIJCAWYCOPO-FUVBFXSKSA-N 1 3 313.873 2.194 20 0 DEADHO CC[C@H](F)C[NH2+]C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001203904453 798330444 /nfs/dbraw/zinc/33/04/44/798330444.db2.gz WWXVJOCPDAOIFY-GOEBONIOSA-N 1 3 313.461 2.190 20 0 DEADHO CC[C@H](F)C[NH2+]CCCNC(=O)C(C)(C)N1CCCCC1 ZINC001158080245 798338027 /nfs/dbraw/zinc/33/80/27/798338027.db2.gz ZLHJXNFMAFCMTN-AWEZNQCLSA-N 1 3 301.450 2.095 20 0 DEADHO CC(C)COc1cccc(N2CCC([N@@H+]3CC[C@H](N)C3)CC2)n1 ZINC001158259992 798368741 /nfs/dbraw/zinc/36/87/41/798368741.db2.gz BQJNALVPRJKFBW-HNNXBMFYSA-N 1 3 318.465 2.118 20 0 DEADHO CC(C)COc1cccc(N2CCC([N@H+]3CC[C@H](N)C3)CC2)n1 ZINC001158259992 798368745 /nfs/dbraw/zinc/36/87/45/798368745.db2.gz BQJNALVPRJKFBW-HNNXBMFYSA-N 1 3 318.465 2.118 20 0 DEADHO CC(C)(C)OC(=O)c1c2c(sc1N=C1CC[NH2+]C1)CNCC2 ZINC001159272492 798544131 /nfs/dbraw/zinc/54/41/31/798544131.db2.gz OZLJLHMTPJGCIV-UHFFFAOYSA-N 1 3 321.446 2.248 20 0 DEADHO CCc1ccc(C[NH2+]CCCNC(=O)C2(N(C)C)CCC2)cc1 ZINC001159862151 798619724 /nfs/dbraw/zinc/61/97/24/798619724.db2.gz XHWSSQMOOFMVPO-UHFFFAOYSA-N 1 3 317.477 2.329 20 0 DEADHO NCc1cnccc1N(CC1CC[NH2+]CC1)c1ccccc1N ZINC001159895265 798623253 /nfs/dbraw/zinc/62/32/53/798623253.db2.gz DKMZIYJYTOWHCE-UHFFFAOYSA-N 1 3 311.433 2.260 20 0 DEADHO Cc1cccc(C)c1C[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159914983 798624954 /nfs/dbraw/zinc/62/49/54/798624954.db2.gz FJWQHSSYCQJSEY-SFHVURJKSA-N 1 3 317.477 2.240 20 0 DEADHO Cc1cc(C[NH2+]CCCNC(=O)CN(C)C2CCC2)c(C)s1 ZINC001160003608 798639153 /nfs/dbraw/zinc/63/91/53/798639153.db2.gz WVGNBPDIJCEMKL-UHFFFAOYSA-N 1 3 323.506 2.445 20 0 DEADHO C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@@H](c3ccccc3)N2)CC1 ZINC001160459604 798691046 /nfs/dbraw/zinc/69/10/46/798691046.db2.gz NRCXLRJQLOCDLB-ROUUACIJSA-N 1 3 315.461 2.328 20 0 DEADHO CCC(CC)C[NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001201053487 798711049 /nfs/dbraw/zinc/71/10/49/798711049.db2.gz QNXAQCYJZLQPQU-KRWDZBQOSA-N 1 3 309.498 2.343 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC([NH2+]CCCCCF)CC1)C1CC1 ZINC001201053078 798711409 /nfs/dbraw/zinc/71/14/09/798711409.db2.gz KGOXDBMFNXGZKC-INIZCTEOSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)(C[NH3+])c1cn(-c2ncnc3c2CCNC3)c2ccccc12 ZINC001160843179 798749386 /nfs/dbraw/zinc/74/93/86/798749386.db2.gz RVQPQZKOCDFTML-UHFFFAOYSA-N 1 3 321.428 2.303 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+]C[C@H]1CCCC(F)(F)C1)N(C)C ZINC001160883822 798755069 /nfs/dbraw/zinc/75/50/69/798755069.db2.gz VZTUKTYDCOCYCS-UONOGXRCSA-N 1 3 319.440 2.248 20 0 DEADHO c1nc(NCC2CC[NH+](CC3CCC3)CC2)nc2c1CNCC2 ZINC001161229596 798814244 /nfs/dbraw/zinc/81/42/44/798814244.db2.gz ZGVHVYTYUKYGDZ-UHFFFAOYSA-N 1 3 315.465 2.046 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]Cc1ccccc1F ZINC001161250753 798816975 /nfs/dbraw/zinc/81/69/75/798816975.db2.gz DZNFDIMJQKUHEU-UHFFFAOYSA-N 1 3 309.429 2.152 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC1=CC[N@H+](CCC(C)C)CC1 ZINC001161790770 798936900 /nfs/dbraw/zinc/93/69/00/798936900.db2.gz WNSKYSSZQIEOEP-UHFFFAOYSA-N 1 3 318.465 2.445 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC1=CC[N@@H+](CCC(C)C)CC1 ZINC001161790770 798936906 /nfs/dbraw/zinc/93/69/06/798936906.db2.gz WNSKYSSZQIEOEP-UHFFFAOYSA-N 1 3 318.465 2.445 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]CCCCCF)CC1 ZINC001202495309 798979657 /nfs/dbraw/zinc/97/96/57/798979657.db2.gz DCPIUHBXGAGJFK-OAHLLOKOSA-N 1 3 313.461 2.191 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]CCC(F)(F)F)CC1 ZINC001202496079 798985637 /nfs/dbraw/zinc/98/56/37/798985637.db2.gz NUMOWOIOPVNYRO-GFCCVEGCSA-N 1 3 321.387 2.004 20 0 DEADHO [NH3+]C1CCN(c2cccc(NCc3cc4ccccn4n3)n2)CC1 ZINC001162286991 799049951 /nfs/dbraw/zinc/04/99/51/799049951.db2.gz RMJFVIYILRLINP-UHFFFAOYSA-N 1 3 322.416 2.269 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@H+](CCC4CCCC4)C[C@H]32)CCC1 ZINC001114406503 799090290 /nfs/dbraw/zinc/09/02/90/799090290.db2.gz FCGCJSNUWYIWHK-FVQHAEBGSA-N 1 3 319.493 2.097 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCC4CCCC4)C[C@H]32)CCC1 ZINC001114406503 799090297 /nfs/dbraw/zinc/09/02/97/799090297.db2.gz FCGCJSNUWYIWHK-FVQHAEBGSA-N 1 3 319.493 2.097 20 0 DEADHO CC1(C)CCN(CC(=O)N2CCC([NH2+]C/C=C\Cl)CC2)C1 ZINC001202526806 799105707 /nfs/dbraw/zinc/10/57/07/799105707.db2.gz PUFVOVIEVZTLQL-CLTKARDFSA-N 1 3 313.873 2.051 20 0 DEADHO Cc1c2[nH]cnc2ccc1NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163280154 799297806 /nfs/dbraw/zinc/29/78/06/799297806.db2.gz QZCYJGZFXQNFQG-GUYCJALGSA-N 1 3 300.406 2.442 20 0 DEADHO Cc1cc(CN)nn1-c1ccc(CO[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001163985886 799472858 /nfs/dbraw/zinc/47/28/58/799472858.db2.gz IHLMFWBOLNCKIS-QZTJIDSGSA-N 1 3 314.433 2.426 20 0 DEADHO C[C@@H](F)CC[NH2+]CC1(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001165465022 799735146 /nfs/dbraw/zinc/73/51/46/799735146.db2.gz QKMPLZMAMXQVHY-CQSZACIVSA-N 1 3 313.461 2.095 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001166627127 799905201 /nfs/dbraw/zinc/90/52/01/799905201.db2.gz QNWPHBCVLPBQJX-CRAIPNDOSA-N 1 3 315.461 2.254 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CC2CCC(C)CC2)C1 ZINC001166678184 799918478 /nfs/dbraw/zinc/91/84/78/799918478.db2.gz UNPRNEOHCAEXIX-CGZBRXJRSA-N 1 3 309.498 2.250 20 0 DEADHO CNCc1cc(NC[C@H](c2ccccc2)[NH+]2CCCC2)ncn1 ZINC001166890335 799972016 /nfs/dbraw/zinc/97/20/16/799972016.db2.gz YHYRWSFJAVHLHE-QGZVFWFLSA-N 1 3 311.433 2.445 20 0 DEADHO CC(C)[C@H](C(=O)NCCC1(C[NH2+]CCC2CC2)CC1)N(C)C ZINC001167045032 800014334 /nfs/dbraw/zinc/01/43/34/800014334.db2.gz QQMKTIUMXXYSTE-MRXNPFEDSA-N 1 3 309.498 2.249 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203658507 800101090 /nfs/dbraw/zinc/10/10/90/800101090.db2.gz BWIPEMFXRDOEBT-HZPDHXFCSA-N 1 3 316.449 2.244 20 0 DEADHO CN(C)C1(C)CN(Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001204269611 800197277 /nfs/dbraw/zinc/19/72/77/800197277.db2.gz HLASAOIUXGIGAH-UHFFFAOYSA-N 1 3 305.466 2.153 20 0 DEADHO COc1ccc(CN2CCC[C@@](O)(C[NH3+])CC2)c(OC(C)C)c1 ZINC001205240684 800327245 /nfs/dbraw/zinc/32/72/45/800327245.db2.gz MVZRGHCNXLWMIN-SFHVURJKSA-N 1 3 322.449 2.158 20 0 DEADHO CC[C@H](C(=O)N1CCC(C[NH2+]CCCCCF)CC1)N(C)C ZINC001205516274 800366661 /nfs/dbraw/zinc/36/66/61/800366661.db2.gz WVBHMZUGINFCMD-MRXNPFEDSA-N 1 3 315.477 2.295 20 0 DEADHO COc1ccc2n[nH]c(CN3CCC[C@@](F)(C[NH3+])CC3)c2c1 ZINC001205558920 800377179 /nfs/dbraw/zinc/37/71/79/800377179.db2.gz LOUNYXXKGQWNMS-INIZCTEOSA-N 1 3 306.385 2.224 20 0 DEADHO NC[C@@]1(O)CCCC[N@H+](Cc2ccccc2-c2ccncc2)C1 ZINC001205726616 800409950 /nfs/dbraw/zinc/40/99/50/800409950.db2.gz VJHKGSMPTUIKMZ-IBGZPJMESA-N 1 3 311.429 2.424 20 0 DEADHO NC[C@@]1(O)CCCC[N@@H+](Cc2ccccc2-c2ccncc2)C1 ZINC001205726616 800409952 /nfs/dbraw/zinc/40/99/52/800409952.db2.gz VJHKGSMPTUIKMZ-IBGZPJMESA-N 1 3 311.429 2.424 20 0 DEADHO CSCC(C)(C)[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000934667569 800418684 /nfs/dbraw/zinc/41/86/84/800418684.db2.gz OESIEGNQLVGBQS-OAHLLOKOSA-N 1 3 323.506 2.137 20 0 DEADHO CC(C)=CC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001206169241 800482684 /nfs/dbraw/zinc/48/26/84/800482684.db2.gz KLMWWQXNVVOMOA-QGZVFWFLSA-N 1 3 309.498 2.367 20 0 DEADHO [NH3+][C@@H]1CCN(Cc2ccc(-c3cnccn3)cc2)CC[C@H]1F ZINC001206176331 800484875 /nfs/dbraw/zinc/48/48/75/800484875.db2.gz ZFQXXGXADALLMF-HZPDHXFCSA-N 1 3 300.381 2.405 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCC(C[NH2+]CCF)CC1 ZINC001206622060 800566688 /nfs/dbraw/zinc/56/66/88/800566688.db2.gz VVYFBLWDJNEAFH-UHFFFAOYSA-N 1 3 315.477 2.296 20 0 DEADHO CCOC(=O)[C@@H]1CN(CC2CC[NH+](CC)CC2)CCC1(F)F ZINC001206846614 800604699 /nfs/dbraw/zinc/60/46/99/800604699.db2.gz KGKIFIHJIJJGJY-AWEZNQCLSA-N 1 3 318.408 2.239 20 0 DEADHO CN(C)CC[N@@H+]1C[C@@H]2CCC[C@H](N(C)Cc3ccccn3)[C@@H]2C1 ZINC001208125895 800917721 /nfs/dbraw/zinc/91/77/21/800917721.db2.gz ASIIBJMFLWRJFM-UHOSZYNNSA-N 1 3 316.493 2.176 20 0 DEADHO CN(C)CC[N@H+]1C[C@@H]2CCC[C@H](N(C)Cc3ccccn3)[C@@H]2C1 ZINC001208125895 800917724 /nfs/dbraw/zinc/91/77/24/800917724.db2.gz ASIIBJMFLWRJFM-UHOSZYNNSA-N 1 3 316.493 2.176 20 0 DEADHO Cc1cnc(O[C@@H]2CC[N@@H+](CC3(CN(C)C)CCCC3)C2)nc1 ZINC001208188044 800925998 /nfs/dbraw/zinc/92/59/98/800925998.db2.gz FUZWMWINPWMOKF-MRXNPFEDSA-N 1 3 318.465 2.360 20 0 DEADHO Cc1cnc(O[C@@H]2CC[N@H+](CC3(CN(C)C)CCCC3)C2)nc1 ZINC001208188044 800926002 /nfs/dbraw/zinc/92/60/02/800926002.db2.gz FUZWMWINPWMOKF-MRXNPFEDSA-N 1 3 318.465 2.360 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]CCCCCF)C1 ZINC001208453655 800986293 /nfs/dbraw/zinc/98/62/93/800986293.db2.gz MNMLNGACSBJUOX-HNNXBMFYSA-N 1 3 315.477 2.437 20 0 DEADHO Cc1cc(CN2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C2)c(C)s1 ZINC001208485646 800994189 /nfs/dbraw/zinc/99/41/89/800994189.db2.gz OLYLIXQKECBLGH-MLGOLLRUSA-N 1 3 323.506 2.253 20 0 DEADHO CC[NH+]1CCC(CN2CCN(c3cc(C)ccn3)CC2)CC1 ZINC001208597719 801023794 /nfs/dbraw/zinc/02/37/94/801023794.db2.gz LMKBJUPPVXBOQW-UHFFFAOYSA-N 1 3 302.466 2.244 20 0 DEADHO C[N@@H+]1CCC[C@H](CN2CCN(CCc3ccccc3)CC2)C1 ZINC001208608265 801030042 /nfs/dbraw/zinc/03/00/42/801030042.db2.gz PRQQMUQMMHKSOV-IBGZPJMESA-N 1 3 301.478 2.189 20 0 DEADHO C[N@H+]1CCC[C@H](CN2CCN(CCc3ccccc3)CC2)C1 ZINC001208608265 801030050 /nfs/dbraw/zinc/03/00/50/801030050.db2.gz PRQQMUQMMHKSOV-IBGZPJMESA-N 1 3 301.478 2.189 20 0 DEADHO COc1ccc(CC[NH+]2CCC3(CN(C)C3)CC2)cc1OC ZINC001208758315 801064264 /nfs/dbraw/zinc/06/42/64/801064264.db2.gz NCRBVGOYFFSTHT-UHFFFAOYSA-N 1 3 304.434 2.274 20 0 DEADHO COc1ccc(CC[N@@H+]2C[C@H]3C[C@@]3(CN(C)C)C2)cc1OC ZINC001208758193 801064897 /nfs/dbraw/zinc/06/48/97/801064897.db2.gz LDBYTDNKYRLEMA-CRAIPNDOSA-N 1 3 304.434 2.130 20 0 DEADHO COc1ccc(CC[N@H+]2C[C@H]3C[C@@]3(CN(C)C)C2)cc1OC ZINC001208758193 801064902 /nfs/dbraw/zinc/06/49/02/801064902.db2.gz LDBYTDNKYRLEMA-CRAIPNDOSA-N 1 3 304.434 2.130 20 0 DEADHO COC(=O)[C@H]1CCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208941739 801099162 /nfs/dbraw/zinc/09/91/62/801099162.db2.gz MYVXPOWYDJNOHQ-IRXDYDNUSA-N 1 3 302.418 2.003 20 0 DEADHO COC(=O)[C@H]1CCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208941739 801099164 /nfs/dbraw/zinc/09/91/64/801099164.db2.gz MYVXPOWYDJNOHQ-IRXDYDNUSA-N 1 3 302.418 2.003 20 0 DEADHO CN(CCCN1CC2(C1)CC[NH+](C)CC2)C(=O)OC(C)(C)C ZINC001209140419 801135205 /nfs/dbraw/zinc/13/52/05/801135205.db2.gz UBWACVPTMIJBLZ-UHFFFAOYSA-N 1 3 311.470 2.271 20 0 DEADHO C[C@H](c1ccc(F)cc1)N1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001229008534 801207677 /nfs/dbraw/zinc/20/76/77/801207677.db2.gz PLVZIAYOOGCZAI-CQSZACIVSA-N 1 3 321.440 2.419 20 0 DEADHO CN(CC(=O)NC1CC[NH+](CCC2CC2)CC1)CC(C)(C)C ZINC001229214139 801242814 /nfs/dbraw/zinc/24/28/14/801242814.db2.gz BPTHUIJPIAFYLC-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CCCCCF)C2)C1 ZINC001209641597 801243685 /nfs/dbraw/zinc/24/36/85/801243685.db2.gz JNVCOSRJGZOMGO-CVEARBPZSA-N 1 3 313.461 2.049 20 0 DEADHO CC[C@H](F)C[NH2+][C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001209689276 801255898 /nfs/dbraw/zinc/25/58/98/801255898.db2.gz JVLGAUZSIIOROV-GJZGRUSLSA-N 1 3 315.477 2.293 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CCCF)C1 ZINC001210184253 801348367 /nfs/dbraw/zinc/34/83/67/801348367.db2.gz VZGCLMCQZABGRS-MRXNPFEDSA-N 1 3 315.477 2.439 20 0 DEADHO CC(C)N(C)CC(=O)NC1CC[NH+](CCCCCF)CC1 ZINC001230367506 801393639 /nfs/dbraw/zinc/39/36/39/801393639.db2.gz ZPKNIJJBVXVWLZ-UHFFFAOYSA-N 1 3 301.450 2.047 20 0 DEADHO CCC[NH+](CCC)CCCC(=O)N1CCC[C@H](NCCF)C1 ZINC001210633592 801436191 /nfs/dbraw/zinc/43/61/91/801436191.db2.gz GBRAEPZKFMZMKZ-INIZCTEOSA-N 1 3 315.477 2.439 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211270227 801540114 /nfs/dbraw/zinc/54/01/14/801540114.db2.gz YQIMTQJBTHLGSK-SFHVURJKSA-N 1 3 317.477 2.416 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001211268924 801540631 /nfs/dbraw/zinc/54/06/31/801540631.db2.gz MATUMJIEMCUCON-QGZVFWFLSA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1C)N1CCCCC1 ZINC001211366671 801554019 /nfs/dbraw/zinc/55/40/19/801554019.db2.gz ISEFMLNIYPYEQG-KBAYOESNSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1C)N1CCCCC1 ZINC001211366671 801554032 /nfs/dbraw/zinc/55/40/32/801554032.db2.gz ISEFMLNIYPYEQG-KBAYOESNSA-N 1 3 321.509 2.343 20 0 DEADHO CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001211374740 801556562 /nfs/dbraw/zinc/55/65/62/801556562.db2.gz LRNLOUGHVOAGBB-BRWVUGGUSA-N 1 3 309.498 2.343 20 0 DEADHO CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001211374740 801556568 /nfs/dbraw/zinc/55/65/68/801556568.db2.gz LRNLOUGHVOAGBB-BRWVUGGUSA-N 1 3 309.498 2.343 20 0 DEADHO COc1ccc(CN2CCC(C[NH+](C)C)CC2)cc1OC(C)=O ZINC001231708859 801718315 /nfs/dbraw/zinc/71/83/15/801718315.db2.gz CORQDVOMHREGIV-UHFFFAOYSA-N 1 3 320.433 2.394 20 0 DEADHO C[NH+]1CCC(CN2CCN(Cc3ncccc3Cl)CC2)CC1 ZINC001231961473 801757803 /nfs/dbraw/zinc/75/78/03/801757803.db2.gz PUJUJQLGUMTDFG-UHFFFAOYSA-N 1 3 322.884 2.194 20 0 DEADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCC(C)(C)C ZINC001214855317 801767435 /nfs/dbraw/zinc/76/74/35/801767435.db2.gz BXYKCRHBZIMPKO-FVQBIDKESA-N 1 3 309.498 2.199 20 0 DEADHO CN(C)Cc1cc(F)cc(C[N@@H+]2CCC[C@H](C(=O)N(C)C)C2)c1 ZINC001232147530 801800568 /nfs/dbraw/zinc/80/05/68/801800568.db2.gz PSJIKSNXHXLTSR-INIZCTEOSA-N 1 3 321.440 2.188 20 0 DEADHO CN(C)Cc1cc(F)cc(C[N@H+]2CCC[C@H](C(=O)N(C)C)C2)c1 ZINC001232147530 801800575 /nfs/dbraw/zinc/80/05/75/801800575.db2.gz PSJIKSNXHXLTSR-INIZCTEOSA-N 1 3 321.440 2.188 20 0 DEADHO C[C@H]1C[C@@H](CF)N(Cc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC001232360357 801858369 /nfs/dbraw/zinc/85/83/69/801858369.db2.gz GHBCMJFKYDPYEH-HOCLYGCPSA-N 1 3 306.429 2.013 20 0 DEADHO C[C@H]1C[C@@H](CF)[N@H+](Cc2ccc(N3CCN(C)CC3)nc2)C1 ZINC001232360357 801858378 /nfs/dbraw/zinc/85/83/78/801858378.db2.gz GHBCMJFKYDPYEH-HOCLYGCPSA-N 1 3 306.429 2.013 20 0 DEADHO C[C@H]1C[C@@H](CF)[N@@H+](Cc2ccc(N3CCN(C)CC3)nc2)C1 ZINC001232360357 801858384 /nfs/dbraw/zinc/85/83/84/801858384.db2.gz GHBCMJFKYDPYEH-HOCLYGCPSA-N 1 3 306.429 2.013 20 0 DEADHO CC(C)CCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001215541054 801873250 /nfs/dbraw/zinc/87/32/50/801873250.db2.gz WCBUSMFRKIZRTK-BRWVUGGUSA-N 1 3 309.498 2.201 20 0 DEADHO CCC(CC)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001215541019 801873410 /nfs/dbraw/zinc/87/34/10/801873410.db2.gz VASACGZFEKHGIU-HLLBOEOZSA-N 1 3 309.498 2.343 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2F)C1 ZINC001215994318 801924804 /nfs/dbraw/zinc/92/48/04/801924804.db2.gz ZYLQWSLWPGJMIR-RHSMWYFYSA-N 1 3 321.440 2.104 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001216502502 801981578 /nfs/dbraw/zinc/98/15/78/801981578.db2.gz DXSPECXOMQMELG-RHSMWYFYSA-N 1 3 321.440 2.104 20 0 DEADHO C[NH+]1CCC2(CN(Cc3ccc(O)c4[nH]c(=O)ccc34)C2)CC1 ZINC001233294940 802068248 /nfs/dbraw/zinc/06/82/48/802068248.db2.gz GMAKWDBVGTXLJM-UHFFFAOYSA-N 1 3 313.401 2.174 20 0 DEADHO COC(=O)/C=C/c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(CN(C)C)C2)cc1 ZINC001233299605 802071755 /nfs/dbraw/zinc/07/17/55/802071755.db2.gz HDQJUXUSPQYUHZ-GXLYXMFMSA-N 1 3 314.429 2.256 20 0 DEADHO COC(=O)/C=C/c1ccc(C[N@H+]2C[C@H]3C[C@@]3(CN(C)C)C2)cc1 ZINC001233299605 802071762 /nfs/dbraw/zinc/07/17/62/802071762.db2.gz HDQJUXUSPQYUHZ-GXLYXMFMSA-N 1 3 314.429 2.256 20 0 DEADHO CCOC(=O)c1ccnc(CN(C)CC2CC[NH+](C)CC2)c1 ZINC001233325944 802078573 /nfs/dbraw/zinc/07/85/73/802078573.db2.gz JQOVAVKYCLFMQC-UHFFFAOYSA-N 1 3 305.422 2.032 20 0 DEADHO Cc1cc(Oc2ccccc2)ncc1NC(=O)[C@H](N)CCC[NH3+] ZINC001218682639 802226932 /nfs/dbraw/zinc/22/69/32/802226932.db2.gz PWWGLGRQZGVJSX-CQSZACIVSA-N 1 3 314.389 2.187 20 0 DEADHO C[NH2+]Cc1ccc(C(=O)Nc2cc([C@H]3CCCN3)no2)cc1 ZINC001218712786 802231862 /nfs/dbraw/zinc/23/18/62/802231862.db2.gz JGKLFEJQOPYBFW-CYBMUJFWSA-N 1 3 300.362 2.071 20 0 DEADHO C[C@H]([NH3+])c1cccc(C(=O)Nc2ccc3c(c2)CNCCO3)c1 ZINC001219031295 802276066 /nfs/dbraw/zinc/27/60/66/802276066.db2.gz GHYHCQPYRPXGAT-LBPRGKRZSA-N 1 3 311.385 2.441 20 0 DEADHO CC(=O)Oc1ccc(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)cc1 ZINC001219101293 802280724 /nfs/dbraw/zinc/28/07/24/802280724.db2.gz GZOXPYQHCCHGLJ-INIZCTEOSA-N 1 3 321.421 2.046 20 0 DEADHO N[C@@H](CCC[NH3+])C(=O)Nc1ccccc1-c1ccc(Cl)cn1 ZINC001219400438 802323635 /nfs/dbraw/zinc/32/36/35/802323635.db2.gz NFYPDQUWFZTVBK-ZDUSSCGKSA-N 1 3 318.808 2.407 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@@H](N)CCCC[NH+](C)C)c2ccccc21 ZINC001220333281 802445004 /nfs/dbraw/zinc/44/50/04/802445004.db2.gz SULZHLBFUVBLDD-XOKHGSTOSA-N 1 3 303.450 2.410 20 0 DEADHO CC(C)C[C@H](NC(=O)[C@@H](N)CCCC[NH+](C)C)c1ccccn1 ZINC001220718684 802489856 /nfs/dbraw/zinc/48/98/56/802489856.db2.gz GEUHKVOQIOGJTP-RDJZCZTQSA-N 1 3 320.481 2.344 20 0 DEADHO N[C@H](CC(=O)N[C@H]1CCC[NH2+]C1)c1cccc(Cl)c1Cl ZINC001220887291 802508821 /nfs/dbraw/zinc/50/88/21/802508821.db2.gz ZHBAXGMKHZEVGJ-JOYOIKCWSA-N 1 3 316.232 2.252 20 0 DEADHO CC[C@H](C(=O)N1C[C@H]2CC[N@H+](CC3CC3)C[C@H]21)N(CC)CC ZINC001221811824 802617586 /nfs/dbraw/zinc/61/75/86/802617586.db2.gz LQHZDPOPLPMOSA-BRWVUGGUSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC3CC3)C[C@H]21)N(CC)CC ZINC001221811824 802617591 /nfs/dbraw/zinc/61/75/91/802617591.db2.gz LQHZDPOPLPMOSA-BRWVUGGUSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC(C)C)C[C@H]21)N(CC)CC ZINC001221808621 802618465 /nfs/dbraw/zinc/61/84/65/802618465.db2.gz HKKSREDYWRCALF-IXDOHACOSA-N 1 3 309.498 2.296 20 0 DEADHO CC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC(C)C)C[C@H]21)N(CC)CC ZINC001221808621 802618468 /nfs/dbraw/zinc/61/84/68/802618468.db2.gz HKKSREDYWRCALF-IXDOHACOSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)(C)OC(=O)NCCCCN1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222141728 802649173 /nfs/dbraw/zinc/64/91/73/802649173.db2.gz RGCQCXXXYLYICZ-QGZVFWFLSA-N 1 3 311.470 2.367 20 0 DEADHO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222615704 802717556 /nfs/dbraw/zinc/71/75/56/802717556.db2.gz RZZWRQOGLDQXLE-CWRNSKLLSA-N 1 3 302.418 2.278 20 0 DEADHO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222615704 802717557 /nfs/dbraw/zinc/71/75/57/802717557.db2.gz RZZWRQOGLDQXLE-CWRNSKLLSA-N 1 3 302.418 2.278 20 0 DEADHO CC(C)=CC[NH+]1CCC(CNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001223471634 802792599 /nfs/dbraw/zinc/79/25/99/802792599.db2.gz BWQPKJONMSEARG-QGZVFWFLSA-N 1 3 307.482 2.121 20 0 DEADHO CC(C)=CC[NH+]1CCC(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001223533458 802798012 /nfs/dbraw/zinc/79/80/12/802798012.db2.gz JQJXVGHADJTLDJ-KRWDZBQOSA-N 1 3 309.498 2.367 20 0 DEADHO CC(C)[C@H](C(=O)NCC1CC[NH+](CC2CC(C)C2)CC1)N(C)C ZINC001224403135 802864346 /nfs/dbraw/zinc/86/43/46/802864346.db2.gz ZZTUWEGLMDPRKK-VMWRSERWSA-N 1 3 323.525 2.447 20 0 DEADHO CC(C)[C@H](C(=O)NCC1CC[NH+](CC[C@@H](C)F)CC1)N(C)C ZINC001224402786 802864513 /nfs/dbraw/zinc/86/45/13/802864513.db2.gz QGYLZVPRTKJBTF-GDBMZVCRSA-N 1 3 315.477 2.149 20 0 DEADHO CN(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1)C1CC1 ZINC001226801480 803162358 /nfs/dbraw/zinc/16/23/58/803162358.db2.gz YMECHNBPXZADAP-BRWVUGGUSA-N 1 3 307.482 2.144 20 0 DEADHO CC/C=C\CC[NH+]1CCC(NC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001227818612 803284181 /nfs/dbraw/zinc/28/41/81/803284181.db2.gz XNTPERXTDXZGDD-OSJSJHBBSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)CN(CC1CC[NH+](C)CC1)CN1C(=O)CC12CCC2 ZINC001330728435 1149274735 /nfs/dbraw/zinc/27/47/35/1149274735.db2.gz QODBCHJTLHIFNI-UHFFFAOYSA-N 1 3 307.482 2.399 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)C(C)C ZINC001417819474 1167234102 /nfs/dbraw/zinc/23/41/02/1167234102.db2.gz NWCVJJLPKDZKMV-OAGGEKHMSA-N 1 3 315.477 2.291 20 0 DEADHO C[C@H](C(=O)NC[C@@H]([NH2+]CC1CC1)C1CC1)N1CCCCCC1 ZINC001417999683 1167354950 /nfs/dbraw/zinc/35/49/50/1167354950.db2.gz PWOOFXQUTFGBPS-RHSMWYFYSA-N 1 3 307.482 2.145 20 0 DEADHO CC[C@@H](F)CN1CCC2(C[C@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001370086786 1149382882 /nfs/dbraw/zinc/38/28/82/1149382882.db2.gz FKEXOQWDXQYQQG-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO CN(CC(=O)N[C@H]1CC12CC[NH+](CC1CC1)CC2)CC(C)(C)C ZINC001370091474 1149385892 /nfs/dbraw/zinc/38/58/92/1149385892.db2.gz KTMRNUSAKMDSKF-INIZCTEOSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]([NH2+]CC1CC(C)(C)C1)C1CC1)N(C)C ZINC001370214570 1149425243 /nfs/dbraw/zinc/42/52/43/1149425243.db2.gz LXIVHRTXUFGEMU-IAGOWNOFSA-N 1 3 323.525 2.493 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]([NH2+]Cc1cccc(F)c1)C1CC1)N(C)C ZINC001370259127 1149437773 /nfs/dbraw/zinc/43/77/73/1149437773.db2.gz BOWRGURPRORUML-IAGOWNOFSA-N 1 3 321.440 2.150 20 0 DEADHO CCC[NH2+][C@@H](CNC(=O)c1cccc(CN(C)C)c1)C1CC1 ZINC001370275808 1149459089 /nfs/dbraw/zinc/45/90/89/1149459089.db2.gz OZPJCQRZBGRLRH-KRWDZBQOSA-N 1 3 303.450 2.256 20 0 DEADHO CN(CC(=O)NC[C@@H]([NH2+]C/C=C/Cl)C1CC1)CC(C)(C)C ZINC001419301733 1168384928 /nfs/dbraw/zinc/38/49/28/1168384928.db2.gz XMZZDNGCLNLLMM-LHRNQBEKSA-N 1 3 315.889 2.201 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+]CC[C@H](C)F)CC1 ZINC001419378929 1168432565 /nfs/dbraw/zinc/43/25/65/1168432565.db2.gz VNXXYYAMBDPDPS-KKUMJFAQSA-N 1 3 301.450 2.093 20 0 DEADHO CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001368348255 1148420929 /nfs/dbraw/zinc/42/09/29/1148420929.db2.gz AFKDZJDXBXQLPX-QAETUUGQSA-N 1 3 309.498 2.391 20 0 DEADHO CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1[C@H](C)CC[C@@H]1C)C2 ZINC001368350963 1148421385 /nfs/dbraw/zinc/42/13/85/1148421385.db2.gz OESCXXONJNVYDP-KFESYUHLSA-N 1 3 307.482 2.238 20 0 DEADHO CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1[C@H](C)CC[C@@H]1C)C2 ZINC001368350963 1148421387 /nfs/dbraw/zinc/42/13/87/1148421387.db2.gz OESCXXONJNVYDP-KFESYUHLSA-N 1 3 307.482 2.238 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001368449380 1148448928 /nfs/dbraw/zinc/44/89/28/1148448928.db2.gz MUFXSNIBHLEBIC-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001603466915 1069973699 /nfs/dbraw/zinc/97/36/99/1069973699.db2.gz NULVBXPKFDCBAJ-JTQLQIEISA-N 1 3 308.817 2.127 20 0 DEADHO C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001603466915 1069973706 /nfs/dbraw/zinc/97/37/06/1069973706.db2.gz NULVBXPKFDCBAJ-JTQLQIEISA-N 1 3 308.817 2.127 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H](C)[N@H+](C)CC1CC(C)(C)C1)N(C)C ZINC001368981469 1148816180 /nfs/dbraw/zinc/81/61/80/1148816180.db2.gz VPZGXGAFJCWWSG-GOEBONIOSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H](C)[N@@H+](C)CC1CC(C)(C)C1)N(C)C ZINC001368981469 1148816182 /nfs/dbraw/zinc/81/61/82/1148816182.db2.gz VPZGXGAFJCWWSG-GOEBONIOSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H](C)[N@H+](C)CC1CC(C)(C)C1)N(C)C ZINC001368981466 1148816613 /nfs/dbraw/zinc/81/66/13/1148816613.db2.gz VPZGXGAFJCWWSG-GDBMZVCRSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CC1CC(C)(C)C1)N(C)C ZINC001368981466 1148816615 /nfs/dbraw/zinc/81/66/15/1148816615.db2.gz VPZGXGAFJCWWSG-GDBMZVCRSA-N 1 3 311.514 2.445 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001368521236 1148476302 /nfs/dbraw/zinc/47/63/02/1148476302.db2.gz KQQVPQKAKFYQJB-GOSISDBHSA-N 1 3 317.477 2.499 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001368521236 1148476304 /nfs/dbraw/zinc/47/63/04/1148476304.db2.gz KQQVPQKAKFYQJB-GOSISDBHSA-N 1 3 317.477 2.499 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@H+](CC[C@H](C)F)CC1 ZINC001368527963 1148479328 /nfs/dbraw/zinc/47/93/28/1148479328.db2.gz VPUJQQMGKVMZHI-LSDHHAIUSA-N 1 3 301.450 2.047 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@@H+](CC[C@H](C)F)CC1 ZINC001368527963 1148479329 /nfs/dbraw/zinc/47/93/29/1148479329.db2.gz VPUJQQMGKVMZHI-LSDHHAIUSA-N 1 3 301.450 2.047 20 0 DEADHO C[NH+](C)CCC1CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001604682615 1070465895 /nfs/dbraw/zinc/46/58/95/1070465895.db2.gz FZEXTVRNRVJLKC-UHFFFAOYSA-N 1 3 314.437 2.030 20 0 DEADHO C[NH+](C)CCC1CC[NH+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001604682615 1070465898 /nfs/dbraw/zinc/46/58/98/1070465898.db2.gz FZEXTVRNRVJLKC-UHFFFAOYSA-N 1 3 314.437 2.030 20 0 DEADHO CCC(CC)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CC[C@@H](C)C3)[C@@H]2C1 ZINC001369140491 1148855633 /nfs/dbraw/zinc/85/56/33/1148855633.db2.gz LRJQYJABVUHUOQ-DDBAPUKQSA-N 1 3 321.509 2.058 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CC[C@@H](C)C3)[C@@H]2C1 ZINC001369140491 1148855635 /nfs/dbraw/zinc/85/56/35/1148855635.db2.gz LRJQYJABVUHUOQ-DDBAPUKQSA-N 1 3 321.509 2.058 20 0 DEADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)C1 ZINC001461119845 1058588501 /nfs/dbraw/zinc/58/85/01/1058588501.db2.gz GKGRZEDVNBTOCO-INIZCTEOSA-N 1 3 315.461 2.400 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001501229885 1059395080 /nfs/dbraw/zinc/39/50/80/1059395080.db2.gz KXMKDTDDFSBVBS-CNPAMDGFSA-N 1 3 321.509 2.319 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001501229885 1059395102 /nfs/dbraw/zinc/39/51/02/1059395102.db2.gz KXMKDTDDFSBVBS-CNPAMDGFSA-N 1 3 321.509 2.319 20 0 DEADHO CC(C)[N@H+](C)CCCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001502375211 1060084038 /nfs/dbraw/zinc/08/40/38/1060084038.db2.gz GKDYCQMMRIVGNU-KRWDZBQOSA-N 1 3 315.477 2.388 20 0 DEADHO CC(C)[N@@H+](C)CCCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001502375211 1060084065 /nfs/dbraw/zinc/08/40/65/1060084065.db2.gz GKDYCQMMRIVGNU-KRWDZBQOSA-N 1 3 315.477 2.388 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2cccc(C)c2)[C@@H](C)C1 ZINC001502753546 1060273309 /nfs/dbraw/zinc/27/33/09/1060273309.db2.gz BFIAPHKJTJSCHO-WMZOPIPTSA-N 1 3 317.477 2.273 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001502762815 1060280587 /nfs/dbraw/zinc/28/05/87/1060280587.db2.gz WRWKURAJINFJCF-WBVHZDCISA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCCF)N(C)C ZINC001505416599 1060553909 /nfs/dbraw/zinc/55/39/09/1060553909.db2.gz PSLWHVHOGHFRIT-BRWVUGGUSA-N 1 3 321.440 2.058 20 0 DEADHO COC[C@H](CN1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC001473778217 1060727016 /nfs/dbraw/zinc/72/70/16/1060727016.db2.gz VDBLCPMGIHHMFA-QYZOEREBSA-N 1 3 318.461 2.102 20 0 DEADHO COC[C@H](CN1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC001473778217 1060727031 /nfs/dbraw/zinc/72/70/31/1060727031.db2.gz VDBLCPMGIHHMFA-QYZOEREBSA-N 1 3 318.461 2.102 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CC1CCCC1 ZINC001505930933 1061146526 /nfs/dbraw/zinc/14/65/26/1061146526.db2.gz RBHCSUHOPDFZCE-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC1CCCC1 ZINC001505930933 1061146536 /nfs/dbraw/zinc/14/65/36/1061146536.db2.gz RBHCSUHOPDFZCE-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CN(C[C@H]1CCN1CCCCCF)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001479260153 1061340362 /nfs/dbraw/zinc/34/03/62/1061340362.db2.gz GRQPSFRSUSELFB-JKSUJKDBSA-N 1 3 313.461 2.001 20 0 DEADHO CN(C[C@H]1CCN1CCCCCF)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001479260153 1061340379 /nfs/dbraw/zinc/34/03/79/1061340379.db2.gz GRQPSFRSUSELFB-JKSUJKDBSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC2)C1)N1CCCCCC1 ZINC001479328753 1061394047 /nfs/dbraw/zinc/39/40/47/1061394047.db2.gz QISQEIUBOIIHHL-OIISXLGYSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001506884571 1062467888 /nfs/dbraw/zinc/46/78/88/1062467888.db2.gz UORWEKSBSQLRCK-ULQDDVLXSA-N 1 3 309.498 2.390 20 0 DEADHO C[C@@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001507127845 1062887967 /nfs/dbraw/zinc/88/79/67/1062887967.db2.gz RSULGSKAGNNPQG-CABCVRRESA-N 1 3 309.498 2.201 20 0 DEADHO C[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)[NH2+]CCC(F)(F)F ZINC001480548620 1063018217 /nfs/dbraw/zinc/01/82/17/1063018217.db2.gz MOGREUVJCOCLPA-CHWSQXEVSA-N 1 3 323.403 2.298 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCC(F)(F)F ZINC001480549859 1063024125 /nfs/dbraw/zinc/02/41/25/1063024125.db2.gz VERGOICTJGWUPL-OLZOCXBDSA-N 1 3 323.403 2.296 20 0 DEADHO C[C@H]1[C@H]([NH2+]CCC(F)(F)F)CCN1C(=O)CN(C)C1CCC1 ZINC001507283077 1063030216 /nfs/dbraw/zinc/03/02/16/1063030216.db2.gz LHVJMCVKIWJJMY-WCQYABFASA-N 1 3 321.387 2.002 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCc2cccs2)[C@H]1C ZINC001507295594 1063047821 /nfs/dbraw/zinc/04/78/21/1063047821.db2.gz CVHIXXRSJZJELA-ZBFHGGJFSA-N 1 3 323.506 2.210 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCCc2ccccc2)C1)N(C)C ZINC001480616406 1063109475 /nfs/dbraw/zinc/10/94/75/1063109475.db2.gz ORWVVCKWBGQMRK-ZWKOTPCHSA-N 1 3 317.477 2.150 20 0 DEADHO C[C@H](C(=O)NC[C@H]1CC[N@H+](CC2CC2)C1)N1CCCCCC1 ZINC001493240940 1063665064 /nfs/dbraw/zinc/66/50/64/1063665064.db2.gz PQVONJZOCXIJSD-NVXWUHKLSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H](C(=O)NC[C@H]1CC[N@@H+](CC2CC2)C1)N1CCCCCC1 ZINC001493240940 1063665071 /nfs/dbraw/zinc/66/50/71/1063665071.db2.gz PQVONJZOCXIJSD-NVXWUHKLSA-N 1 3 307.482 2.099 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)NCCN(CC2=CCCCC2)C2CC2)C1 ZINC001493446329 1063798251 /nfs/dbraw/zinc/79/82/51/1063798251.db2.gz ZHMNFSHWSBHPEG-INIZCTEOSA-N 1 3 305.466 2.019 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)NCCN(CC2=CCCCC2)C2CC2)C1 ZINC001493446329 1063798260 /nfs/dbraw/zinc/79/82/60/1063798260.db2.gz ZHMNFSHWSBHPEG-INIZCTEOSA-N 1 3 305.466 2.019 20 0 DEADHO Cc1ccc(C)c(C[NH2+]CCN(C)C(=O)CN(C)C2CCC2)c1 ZINC001493578036 1063872242 /nfs/dbraw/zinc/87/22/42/1063872242.db2.gz FQVSXHQTPODZEC-UHFFFAOYSA-N 1 3 317.477 2.336 20 0 DEADHO CN(CC[NH2+][C@H]1CCCc2ccccc21)C(=O)Cc1c[nH]cn1 ZINC001493709103 1063928769 /nfs/dbraw/zinc/92/87/69/1063928769.db2.gz NDKNGWBMDNAGQG-KRWDZBQOSA-N 1 3 312.417 2.078 20 0 DEADHO CC[C@@H](F)C[NH2+][C@@H](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001493852140 1063992941 /nfs/dbraw/zinc/99/29/41/1063992941.db2.gz XTESCUYSBSZYPC-GOEBONIOSA-N 1 3 315.477 2.291 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@H+](C)C/C=C/Cl)CC1 ZINC001494191619 1064165544 /nfs/dbraw/zinc/16/55/44/1064165544.db2.gz ULFRDKDCLBVHCO-SGJXGLNRSA-N 1 3 313.873 2.004 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)C/C=C/Cl)CC1 ZINC001494191619 1064165548 /nfs/dbraw/zinc/16/55/48/1064165548.db2.gz ULFRDKDCLBVHCO-SGJXGLNRSA-N 1 3 313.873 2.004 20 0 DEADHO C[C@@H]([NH2+]CCCCCF)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001567631858 1064293196 /nfs/dbraw/zinc/29/31/96/1064293196.db2.gz XBTASVMMQNHVMB-CQSZACIVSA-N 1 3 324.444 2.309 20 0 DEADHO O=C(CCC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1CN2CCC1CC1 ZINC001494683954 1064413080 /nfs/dbraw/zinc/41/30/80/1064413080.db2.gz QMRLZPVQIPYQSF-ROUUACIJSA-N 1 3 319.493 2.338 20 0 DEADHO CCC/C=C\CC[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001568146524 1064670207 /nfs/dbraw/zinc/67/02/07/1064670207.db2.gz IGJAXZUYIPLIRY-YIEVGGLXSA-N 1 3 304.438 2.279 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]CC1=CCCCC1)N(C)C ZINC001568205795 1064700484 /nfs/dbraw/zinc/70/04/84/1064700484.db2.gz QYFWOVUBJFUXHW-WBVHZDCISA-N 1 3 309.498 2.415 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1CC[NH2+]C/C=C\Cl ZINC001568400414 1064838399 /nfs/dbraw/zinc/83/83/99/1064838399.db2.gz JONJIZUQHQAPNB-AJHXJQRKSA-N 1 3 315.889 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1CC[NH2+]C/C=C\Cl ZINC001568400417 1064839073 /nfs/dbraw/zinc/83/90/73/1064839073.db2.gz JONJIZUQHQAPNB-WUKHSURWSA-N 1 3 315.889 2.440 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H]([NH2+]CC[C@@H](C)F)CC1 ZINC001495477339 1064932869 /nfs/dbraw/zinc/93/28/69/1064932869.db2.gz YJAATAMTXDRXSL-MRVWCRGKSA-N 1 3 310.417 2.026 20 0 DEADHO C[C@H](CC[NH2+]CC1CC(C)(C)C1)NC(=O)CN1CC[C@@H](C)C1 ZINC001568678762 1065043403 /nfs/dbraw/zinc/04/34/03/1065043403.db2.gz XWGNUIXVJZUQFH-HUUCEWRRSA-N 1 3 309.498 2.249 20 0 DEADHO CCN(CC[NH2+]CC1CC(C)(C)C1)C(=O)[C@@H](C(C)C)N(C)C ZINC001568773249 1065111323 /nfs/dbraw/zinc/11/13/23/1065111323.db2.gz QWFPUTLMYILQAN-MRXNPFEDSA-N 1 3 311.514 2.447 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC/C=C\C[NH2+]CCC1CCCCC1 ZINC001568954083 1065211624 /nfs/dbraw/zinc/21/16/24/1065211624.db2.gz KXCPGEWHPPEKSS-WAYWQWQTSA-N 1 3 318.465 2.493 20 0 DEADHO C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH]cn1)c1ccccc1 ZINC001496172776 1065321136 /nfs/dbraw/zinc/32/11/36/1065321136.db2.gz YYUDZPLRVQUALO-UONOGXRCSA-N 1 3 300.406 2.150 20 0 DEADHO CN(CCC[NH2+]CC1CC2(CCC2)C1)C(=O)CN(C)C1CCC1 ZINC001569209596 1065367553 /nfs/dbraw/zinc/36/75/53/1065367553.db2.gz HJEPJTDFFNKUID-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)CC[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001496347368 1065420227 /nfs/dbraw/zinc/42/02/27/1065420227.db2.gz YMWPITOJRPXBGZ-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1ccc(C[N@@H+](C)CCN(C)C(=O)[C@@H]2CCCN2C)cc1C ZINC001496679068 1065642163 /nfs/dbraw/zinc/64/21/63/1065642163.db2.gz IFOUDBRLAXHYNQ-SFHVURJKSA-N 1 3 317.477 2.288 20 0 DEADHO Cc1ccc(C[N@H+](C)CCN(C)C(=O)[C@@H]2CCCN2C)cc1C ZINC001496679068 1065642168 /nfs/dbraw/zinc/64/21/68/1065642168.db2.gz IFOUDBRLAXHYNQ-SFHVURJKSA-N 1 3 317.477 2.288 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001569968535 1065846318 /nfs/dbraw/zinc/84/63/18/1065846318.db2.gz KRNCIGLHIQKXBN-RDJZCZTQSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC001630196481 1078335072 /nfs/dbraw/zinc/33/50/72/1078335072.db2.gz HNNGSPXSQBEIBY-JZXOWHBKSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC001630196481 1078335075 /nfs/dbraw/zinc/33/50/75/1078335075.db2.gz HNNGSPXSQBEIBY-JZXOWHBKSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCc2ccc(F)cc21)N(C)C ZINC001497912565 1066410475 /nfs/dbraw/zinc/41/04/75/1066410475.db2.gz MMWDJUSRXKKYPB-JLZZUVOBSA-N 1 3 321.440 2.248 20 0 DEADHO C[C@@H](c1cccc(Cl)c1)N(C)C[C@H]1CC2(C[NH2+]C2)C(=O)O1 ZINC001576301328 1066553660 /nfs/dbraw/zinc/55/36/60/1066553660.db2.gz KVCDCYLIQKWQCK-SMDDNHRTSA-N 1 3 308.809 2.238 20 0 DEADHO CC1([NH+]2CCC2)CCC(NC(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC001576534029 1066631219 /nfs/dbraw/zinc/63/12/19/1066631219.db2.gz LVTSUYGOVHDLFG-HFCFLWKCSA-N 1 3 315.461 2.080 20 0 DEADHO C[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](N)C2)CCN1C(=O)OC(C)(C)C ZINC001576600247 1066643162 /nfs/dbraw/zinc/64/31/62/1066643162.db2.gz ZUOQWRIENZUNPW-SOUVJXGZSA-N 1 3 311.470 2.445 20 0 DEADHO C[C@H]1C[C@@H](C[N@H+]2CCC[C@@H](N)C2)CCN1C(=O)OC(C)(C)C ZINC001576600247 1066643168 /nfs/dbraw/zinc/64/31/68/1066643168.db2.gz ZUOQWRIENZUNPW-SOUVJXGZSA-N 1 3 311.470 2.445 20 0 DEADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC001576798059 1066691820 /nfs/dbraw/zinc/69/18/20/1066691820.db2.gz LMOWUYCQAFXVHU-YALNPMBYSA-N 1 3 322.497 2.018 20 0 DEADHO C[C@@H]1CN(CC2(C[NH3+])CC2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001576802101 1066693567 /nfs/dbraw/zinc/69/35/67/1066693567.db2.gz WCYIMRCILIXOLZ-KGLIPLIRSA-N 1 3 311.470 2.208 20 0 DEADHO CCCN(C(=O)NCc1ccc([C@H](C)[NH3+])cc1)[C@H]1CCN(C)C1 ZINC001577492094 1066857871 /nfs/dbraw/zinc/85/78/71/1066857871.db2.gz HMHXDHRVYCIJGZ-YOEHRIQHSA-N 1 3 318.465 2.332 20 0 DEADHO CCN(C(=O)c1cccc(CN2CCCC2)c1)[C@@H]1CC[NH2+]C1 ZINC001577646710 1066896605 /nfs/dbraw/zinc/89/66/05/1066896605.db2.gz YHPUUAXKNWVUGL-QGZVFWFLSA-N 1 3 301.434 2.106 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@H+](CC3CCCC3)C2)C1 ZINC001499615534 1067279504 /nfs/dbraw/zinc/27/95/04/1067279504.db2.gz FCJKMICKQBJTLR-IBGZPJMESA-N 1 3 321.509 2.443 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@@H+](CC3CCCC3)C2)C1 ZINC001499615534 1067279506 /nfs/dbraw/zinc/27/95/06/1067279506.db2.gz FCJKMICKQBJTLR-IBGZPJMESA-N 1 3 321.509 2.443 20 0 DEADHO CSc1ccc([C@H](CNC(=O)[C@H]([NH3+])C2CCC2)N(C)C)cc1 ZINC001579387801 1067323698 /nfs/dbraw/zinc/32/36/98/1067323698.db2.gz NFPXCYJQWVRKBJ-JKSUJKDBSA-N 1 3 321.490 2.255 20 0 DEADHO FC(F)(F)c1cncc(CN2CCC3(CC2)C[NH2+]CCO3)c1 ZINC001580020715 1067473067 /nfs/dbraw/zinc/47/30/67/1067473067.db2.gz BXZRXZOQZQSLCS-UHFFFAOYSA-N 1 3 315.339 2.055 20 0 DEADHO N[C@@H]1CCCCC[N@H+](C[C@@H](O)CC[C@@H](O)c2ccccc2)C1 ZINC001580184663 1067520138 /nfs/dbraw/zinc/52/01/38/1067520138.db2.gz YKMWFMHOAXEILH-FGTMMUONSA-N 1 3 306.450 2.064 20 0 DEADHO N[C@@H]1CCCCC[N@@H+](C[C@@H](O)CC[C@@H](O)c2ccccc2)C1 ZINC001580184663 1067520140 /nfs/dbraw/zinc/52/01/40/1067520140.db2.gz YKMWFMHOAXEILH-FGTMMUONSA-N 1 3 306.450 2.064 20 0 DEADHO C[C@H]([NH2+]CCCN(C)C(=O)[C@H]1CCCN1C)c1ccccc1F ZINC001483456255 1078544997 /nfs/dbraw/zinc/54/49/97/1078544997.db2.gz QZMOSUBMNWHVBL-WMLDXEAASA-N 1 3 321.440 2.419 20 0 DEADHO CC(C)[C@H](C(=O)N(C)CCC[NH2+]CC=C(Cl)Cl)N(C)C ZINC001483490016 1078566590 /nfs/dbraw/zinc/56/65/90/1078566590.db2.gz AHEZJHQEWZWRNE-CYBMUJFWSA-N 1 3 324.296 2.330 20 0 DEADHO C[C@@H](CNCC=C(Cl)Cl)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001496149096 1078682309 /nfs/dbraw/zinc/68/23/09/1078682309.db2.gz KEBARWBKQHFADY-NSHDSACASA-N 1 3 322.280 2.084 20 0 DEADHO C[NH+](C)CCCC(=O)NCC1=CCN(Cc2ccccc2)CC1 ZINC001279621134 1078700284 /nfs/dbraw/zinc/70/02/84/1078700284.db2.gz CFOYQRBAALJQSC-UHFFFAOYSA-N 1 3 315.461 2.277 20 0 DEADHO CC/C=C/CC[NH2+]C1CC(N(C)C(=O)CN2CC[C@H](C)C2)C1 ZINC001571661934 1068467493 /nfs/dbraw/zinc/46/74/93/1068467493.db2.gz JWIYAIPLCRTWQC-LDSJXYLWSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)N(C(=O)[C@@H]1CC[NH2+]C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001573519457 1069027212 /nfs/dbraw/zinc/02/72/12/1069027212.db2.gz MVGDHAWXYLDYLX-MSOLQXFVSA-N 1 3 315.461 2.107 20 0 DEADHO CC(C)CCCN1CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001483710193 1078841051 /nfs/dbraw/zinc/84/10/51/1078841051.db2.gz VVIRTZGUYDXADU-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)CC[NH2+]Cc2ccc(Cl)cc2)C1 ZINC001267429384 1078845674 /nfs/dbraw/zinc/84/56/74/1078845674.db2.gz ZTWHUQMYUGLIIR-CQSZACIVSA-N 1 3 323.868 2.230 20 0 DEADHO CN(C[C@]1(O)CCC[NH2+]C1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001573870083 1069124282 /nfs/dbraw/zinc/12/42/82/1069124282.db2.gz LIFHLJYMSLCZGH-BZSNNMDCSA-N 1 3 322.424 2.092 20 0 DEADHO CC(C)[N@@H+](C/C=C/Cl)CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001267509251 1078938834 /nfs/dbraw/zinc/93/88/34/1078938834.db2.gz OUINCMAYZFERIO-NFBGWVBBSA-N 1 3 315.889 2.297 20 0 DEADHO CC(C)[N@H+](C/C=C/Cl)CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001267509251 1078938837 /nfs/dbraw/zinc/93/88/37/1078938837.db2.gz OUINCMAYZFERIO-NFBGWVBBSA-N 1 3 315.889 2.297 20 0 DEADHO CC(C)[N@@H+](C/C=C\Cl)CCCNC(=O)CN1CC[C@H](C)C1 ZINC001267509252 1078939495 /nfs/dbraw/zinc/93/94/95/1078939495.db2.gz OUINCMAYZFERIO-QZDDGCDVSA-N 1 3 315.889 2.297 20 0 DEADHO CC(C)[N@H+](C/C=C\Cl)CCCNC(=O)CN1CC[C@H](C)C1 ZINC001267509252 1078939497 /nfs/dbraw/zinc/93/94/97/1078939497.db2.gz OUINCMAYZFERIO-QZDDGCDVSA-N 1 3 315.889 2.297 20 0 DEADHO F[C@@H]1C[C@H](CN[C@@H]2CCC[NH2+]CC2)N(Cc2cccs2)C1 ZINC001548919728 1072938581 /nfs/dbraw/zinc/93/85/81/1072938581.db2.gz FMWNHEWHTVWOSI-RBSFLKMASA-N 1 3 311.470 2.392 20 0 DEADHO CCCN1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC001645809935 1079004833 /nfs/dbraw/zinc/00/48/33/1079004833.db2.gz XGWFZIRPMHYYHM-FUHWJXTLSA-N 1 3 307.482 2.195 20 0 DEADHO CCCN1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC001645809935 1079004843 /nfs/dbraw/zinc/00/48/43/1079004843.db2.gz XGWFZIRPMHYYHM-FUHWJXTLSA-N 1 3 307.482 2.195 20 0 DEADHO CC[N@H+](CCNC(=O)C(C)(C)N1CCCCC1)CC1CCC1 ZINC001480975476 1079020048 /nfs/dbraw/zinc/02/00/48/1079020048.db2.gz VAVKHCSASOQHKQ-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CC[N@@H+](CCNC(=O)C(C)(C)N1CCCCC1)CC1CCC1 ZINC001480975476 1079020053 /nfs/dbraw/zinc/02/00/53/1079020053.db2.gz VAVKHCSASOQHKQ-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CCn1cc([C@@H]2OCCC[C@@H]2C[NH2+][C@H]2CCC[C@H]2CN)cn1 ZINC001549338086 1073131368 /nfs/dbraw/zinc/13/13/68/1073131368.db2.gz FGJPZBPDJFUBJI-HDEZJCGLSA-N 1 3 306.454 2.088 20 0 DEADHO CC[NH+](CC)C1CCN(C(=O)NC[C@H]2CCN2C(C)(C)C)CC1 ZINC001645964884 1079062330 /nfs/dbraw/zinc/06/23/30/1079062330.db2.gz RIEDQQQBIJUTAS-MRXNPFEDSA-N 1 3 324.513 2.375 20 0 DEADHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001369257972 1148883677 /nfs/dbraw/zinc/88/36/77/1148883677.db2.gz FKJUAXFCRWAWHM-GDBMZVCRSA-N 1 3 309.498 2.343 20 0 DEADHO O=C(C[C@H]1NCc2ccccc21)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001550231844 1073522167 /nfs/dbraw/zinc/52/21/67/1073522167.db2.gz UJGCEZJCUHGUCM-MJGOQNOKSA-N 1 3 313.445 2.213 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NCc1ccccc1F)[C@@H](O)C2 ZINC001550423964 1073649051 /nfs/dbraw/zinc/64/90/51/1073649051.db2.gz VKALYUWTHJCNRS-OWSLCNJRSA-N 1 3 306.425 2.395 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NCc1ccccc1F)[C@@H](O)C2 ZINC001550423964 1073649055 /nfs/dbraw/zinc/64/90/55/1073649055.db2.gz VKALYUWTHJCNRS-OWSLCNJRSA-N 1 3 306.425 2.395 20 0 DEADHO Cn1ccnc1[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCCN[C@H]3C2(C)C)CCO1 ZINC001550474154 1073670158 /nfs/dbraw/zinc/67/01/58/1073670158.db2.gz UFRSTSDFHHBFRZ-IBEHDNSVSA-N 1 3 318.465 2.006 20 0 DEADHO Cn1ccnc1[C@@H]1C[C@H](N[C@@H]2[C@@H]3CCC[NH2+][C@H]3C2(C)C)CCO1 ZINC001550474154 1073670162 /nfs/dbraw/zinc/67/01/62/1073670162.db2.gz UFRSTSDFHHBFRZ-IBEHDNSVSA-N 1 3 318.465 2.006 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)CC(C)(C)C[NH2+]C/C=C\Cl)C1 ZINC001329335048 1148885671 /nfs/dbraw/zinc/88/56/71/1148885671.db2.gz HWEMIOBLEBDMLM-VSKVDJIOSA-N 1 3 315.889 2.155 20 0 DEADHO CCC(CC)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001481097797 1079181644 /nfs/dbraw/zinc/18/16/44/1079181644.db2.gz LZWNDEOUJYEFDM-IRXDYDNUSA-N 1 3 311.514 2.447 20 0 DEADHO CCC(CC)C[N@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001481097797 1079181649 /nfs/dbraw/zinc/18/16/49/1079181649.db2.gz LZWNDEOUJYEFDM-IRXDYDNUSA-N 1 3 311.514 2.447 20 0 DEADHO C[C@@H]1C[C@@H](NC/C(Cl)=C\Cl)CCN1C(=O)CC[NH+](C)C ZINC001483909267 1079190645 /nfs/dbraw/zinc/19/06/45/1079190645.db2.gz RBQGXRGOZABYLD-YURTZEIPSA-N 1 3 322.280 2.226 20 0 DEADHO CC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001481119055 1079208887 /nfs/dbraw/zinc/20/88/87/1079208887.db2.gz QCXGBTAWCAWRKT-ZMJQMOPZSA-N 1 3 309.498 2.367 20 0 DEADHO CC/C=C\CC[N@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001481119055 1079208896 /nfs/dbraw/zinc/20/88/96/1079208896.db2.gz QCXGBTAWCAWRKT-ZMJQMOPZSA-N 1 3 309.498 2.367 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C[NH2+]CC(C)C)C1CCCC1 ZINC001484012372 1079242135 /nfs/dbraw/zinc/24/21/35/1079242135.db2.gz IMNUUBUNSRPBJN-INIZCTEOSA-N 1 3 306.454 2.181 20 0 DEADHO COc1cccc(N2CCC([NH2+][C@H]3CCC[C@H]3CN)CC2)c1 ZINC001649839060 1079254201 /nfs/dbraw/zinc/25/42/01/1079254201.db2.gz NMAJCNGHXSNIHO-KSSFIOAISA-N 1 3 303.450 2.381 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCN(C3CC3)C2)[C@H]1c1ccccc1 ZINC001552295306 1074524062 /nfs/dbraw/zinc/52/40/62/1074524062.db2.gz OREGAFCTALOYHY-RYQLBKOJSA-N 1 3 313.445 2.032 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(C3CC3)C2)[C@H]1c1ccccc1 ZINC001552295306 1074524071 /nfs/dbraw/zinc/52/40/71/1074524071.db2.gz OREGAFCTALOYHY-RYQLBKOJSA-N 1 3 313.445 2.032 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2CCCC[NH2+]C2)C1 ZINC001552387018 1074562354 /nfs/dbraw/zinc/56/23/54/1074562354.db2.gz LMEHVENSQUISMC-NJAFHUGGSA-N 1 3 315.461 2.328 20 0 DEADHO C[NH+](C)C1(CNC(=O)c2cc3c(s2)CNCC3)CCCCC1 ZINC001646722466 1074576546 /nfs/dbraw/zinc/57/65/46/1074576546.db2.gz SZEAVPKXLCUGFD-UHFFFAOYSA-N 1 3 321.490 2.388 20 0 DEADHO CCc1ccc([C@H](CNC(=O)C2=CCC[NH2+]CC2)N(C)C)cc1 ZINC001646738986 1074589409 /nfs/dbraw/zinc/58/94/09/1074589409.db2.gz ZORBLVHZXVIXKL-SFHVURJKSA-N 1 3 315.461 2.278 20 0 DEADHO N[C@H](C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)C1CCCCCC1 ZINC001646748263 1074595911 /nfs/dbraw/zinc/59/59/11/1074595911.db2.gz KZKUVWAZPRPSHJ-IRXDYDNUSA-N 1 3 307.482 2.132 20 0 DEADHO O=C(C[C@H]1NCc2ccccc21)NC[C@@H]1C[NH2+]Cc2ccccc21 ZINC001552584754 1074613775 /nfs/dbraw/zinc/61/37/75/1074613775.db2.gz QDPXTQOFLWVUDF-QFBILLFUSA-N 1 3 321.424 2.224 20 0 DEADHO CC[NH+](CC)CCOc1cccc(NC(=O)[C@@H](C)NC2CC2)c1 ZINC001646833046 1074640252 /nfs/dbraw/zinc/64/02/52/1074640252.db2.gz GZJOQOFPRAOHBH-CQSZACIVSA-N 1 3 319.449 2.486 20 0 DEADHO CC(C)CN(C(=O)[C@@]12CCC[C@H]1[NH2+]CC2)C1CCN(C)CC1 ZINC001552839899 1074674872 /nfs/dbraw/zinc/67/48/72/1074674872.db2.gz XMJFJDAEYXXJNR-SJLPKXTDSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)=CCN(CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C1CC1 ZINC001481201335 1079338494 /nfs/dbraw/zinc/33/84/94/1079338494.db2.gz XTPDVKIOJRVWBR-IYBDPMFKSA-N 1 3 307.482 2.406 20 0 DEADHO CC(C)=CCN(CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C1CC1 ZINC001481201335 1079338499 /nfs/dbraw/zinc/33/84/99/1079338499.db2.gz XTPDVKIOJRVWBR-IYBDPMFKSA-N 1 3 307.482 2.406 20 0 DEADHO C[C@H]([NH2+]C[C@@H](O)CCC1(O)CCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC001647452726 1074931895 /nfs/dbraw/zinc/93/18/95/1074931895.db2.gz ZNFMDPHLYXYJDH-JZXOWHBKSA-N 1 3 324.509 2.285 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001647614859 1074956145 /nfs/dbraw/zinc/95/61/45/1074956145.db2.gz FUOBDHQIGUFRAV-MSOLQXFVSA-N 1 3 315.461 2.109 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001647614859 1074956147 /nfs/dbraw/zinc/95/61/47/1074956147.db2.gz FUOBDHQIGUFRAV-MSOLQXFVSA-N 1 3 315.461 2.109 20 0 DEADHO CC(C)=CCN1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001566092938 1075228881 /nfs/dbraw/zinc/22/88/81/1075228881.db2.gz OUNLFOHMZFTHSV-ZACQAIPSSA-N 1 3 307.482 2.406 20 0 DEADHO CC(C)=CCN1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001566092938 1075228883 /nfs/dbraw/zinc/22/88/83/1075228883.db2.gz OUNLFOHMZFTHSV-ZACQAIPSSA-N 1 3 307.482 2.406 20 0 DEADHO CN(CC[NH2+]Cc1ccc(Cl)s1)C(=O)[C@@H]1CCCN1C ZINC001481215854 1079415573 /nfs/dbraw/zinc/41/55/73/1079415573.db2.gz ORUPOFYZGCHUGA-LBPRGKRZSA-N 1 3 315.870 2.044 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001580523280 1075942778 /nfs/dbraw/zinc/94/27/78/1075942778.db2.gz RFTSRFXZCJEWDB-WMZOPIPTSA-N 1 3 313.445 2.354 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC001580523280 1075942783 /nfs/dbraw/zinc/94/27/83/1075942783.db2.gz RFTSRFXZCJEWDB-WMZOPIPTSA-N 1 3 313.445 2.354 20 0 DEADHO c1c(C[NH2+]CCCOCC2CCOCC2)sc2c1CNCC2 ZINC001580887660 1076014317 /nfs/dbraw/zinc/01/43/17/1076014317.db2.gz CGJLJYGPUYAQNF-UHFFFAOYSA-N 1 3 324.490 2.317 20 0 DEADHO CC[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001590464404 1076631991 /nfs/dbraw/zinc/63/19/91/1076631991.db2.gz CMPTVAKBNLHQMX-INIZCTEOSA-N 1 3 314.437 2.249 20 0 DEADHO CC[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001590464404 1076631993 /nfs/dbraw/zinc/63/19/93/1076631993.db2.gz CMPTVAKBNLHQMX-INIZCTEOSA-N 1 3 314.437 2.249 20 0 DEADHO C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cccc(-c2nnn[n-]2)c1 ZINC001609123834 1077767032 /nfs/dbraw/zinc/76/70/32/1077767032.db2.gz QGAXSSUDAQZIHS-IUODEOHRSA-N 1 3 300.410 2.050 20 0 DEADHO C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cccc(-c2nn[n-]n2)c1 ZINC001609123834 1077767035 /nfs/dbraw/zinc/76/70/35/1077767035.db2.gz QGAXSSUDAQZIHS-IUODEOHRSA-N 1 3 300.410 2.050 20 0 DEADHO C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001609267681 1077821565 /nfs/dbraw/zinc/82/15/65/1077821565.db2.gz DKPDARARAVBGOQ-UHFFFAOYSA-N 1 3 320.416 2.216 20 0 DEADHO C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001609267681 1077821570 /nfs/dbraw/zinc/82/15/70/1077821570.db2.gz DKPDARARAVBGOQ-UHFFFAOYSA-N 1 3 320.416 2.216 20 0 DEADHO N[C@@H](CC(=O)N1CCC2(CCC[C@@H]2C[NH3+])CC1)c1ccccc1 ZINC001650437615 1079623207 /nfs/dbraw/zinc/62/32/07/1079623207.db2.gz HXTKJNYLTKOXRX-SJORKVTESA-N 1 3 315.461 2.444 20 0 DEADHO CN(CC[NH2+]Cc1cc2ccccc2o1)C(=O)CN1CCCC1 ZINC001481314216 1079709253 /nfs/dbraw/zinc/70/92/53/1079709253.db2.gz BHEKFIPKKZNVGN-UHFFFAOYSA-N 1 3 315.417 2.077 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CCCCCF)CC1)N(C)C ZINC001484717130 1079741988 /nfs/dbraw/zinc/74/19/88/1079741988.db2.gz DQWJOJZBFBKALY-HZPDHXFCSA-N 1 3 315.477 2.437 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCCCCF)CC1)N(C)C ZINC001484717130 1079741995 /nfs/dbraw/zinc/74/19/95/1079741995.db2.gz DQWJOJZBFBKALY-HZPDHXFCSA-N 1 3 315.477 2.437 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)CC1)N(C)C ZINC001484725123 1079749460 /nfs/dbraw/zinc/74/94/60/1079749460.db2.gz YDAUPKLVBVPOBT-MSOLQXFVSA-N 1 3 317.477 2.498 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)N(C)C ZINC001484725123 1079749466 /nfs/dbraw/zinc/74/94/66/1079749466.db2.gz YDAUPKLVBVPOBT-MSOLQXFVSA-N 1 3 317.477 2.498 20 0 DEADHO CN1CCN(CC[NH2+]Cc2ccc3scnc3c2)CC1(C)C ZINC001650999041 1079783576 /nfs/dbraw/zinc/78/35/76/1079783576.db2.gz STXRBZFGHFHTHO-UHFFFAOYSA-N 1 3 318.490 2.412 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@]2(CC[N@H+](CCCF)C2)C1 ZINC001484828872 1079808883 /nfs/dbraw/zinc/80/88/83/1079808883.db2.gz DYLAGRSXQZQLJP-KRWDZBQOSA-N 1 3 313.461 2.002 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@]2(CC[N@@H+](CCCF)C2)C1 ZINC001484828872 1079808891 /nfs/dbraw/zinc/80/88/91/1079808891.db2.gz DYLAGRSXQZQLJP-KRWDZBQOSA-N 1 3 313.461 2.002 20 0 DEADHO CCCCC[N@@H+]1CC[C@@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001481454858 1079884109 /nfs/dbraw/zinc/88/41/09/1079884109.db2.gz ZLLYZGJMXBYRNM-IAGOWNOFSA-N 1 3 309.498 2.347 20 0 DEADHO CCCCC[N@H+]1CC[C@@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001481454858 1079884116 /nfs/dbraw/zinc/88/41/16/1079884116.db2.gz ZLLYZGJMXBYRNM-IAGOWNOFSA-N 1 3 309.498 2.347 20 0 DEADHO CCOc1cccc(C[NH2+]C[C@@H](C)N2CCN(CC)CC2)c1 ZINC000069681300 1079968590 /nfs/dbraw/zinc/96/85/90/1079968590.db2.gz VCKHQHVRAFMCHO-MRXNPFEDSA-N 1 3 305.466 2.201 20 0 DEADHO C[C@@H](NCc1sccc1Cl)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001485190974 1080056089 /nfs/dbraw/zinc/05/60/89/1080056089.db2.gz RTZWZAGPFHBIBD-GHMZBOCLSA-N 1 3 317.886 2.336 20 0 DEADHO Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)CN(C)C2CCC2)cc1 ZINC001485313646 1080133973 /nfs/dbraw/zinc/13/39/73/1080133973.db2.gz PGKLXCVDGCZUGK-MRXNPFEDSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1ccc(C[N@H+](C)[C@H](C)CNC(=O)CN(C)C2CCC2)cc1 ZINC001485313646 1080133975 /nfs/dbraw/zinc/13/39/75/1080133975.db2.gz PGKLXCVDGCZUGK-MRXNPFEDSA-N 1 3 317.477 2.416 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)CC1 ZINC001660674070 1080377225 /nfs/dbraw/zinc/37/72/25/1080377225.db2.gz JZBXRKBGIUKLQC-WHBLYCTDSA-N 1 3 320.477 2.201 20 0 DEADHO CC(C)=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001485813367 1080484216 /nfs/dbraw/zinc/48/42/16/1080484216.db2.gz ILFMCSGGJWDRSO-INIZCTEOSA-N 1 3 307.482 2.264 20 0 DEADHO CCOc1ccccc1CNCCN1CCC([NH+](C)C)CC1 ZINC001661651947 1080504030 /nfs/dbraw/zinc/50/40/30/1080504030.db2.gz PVRVVZKMRRGRJX-UHFFFAOYSA-N 1 3 305.466 2.201 20 0 DEADHO CC(C)=CC[N@H+]1CCC[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001661739740 1080516436 /nfs/dbraw/zinc/51/64/36/1080516436.db2.gz RIMZESONTKIRQK-SJORKVTESA-N 1 3 307.482 2.123 20 0 DEADHO CC(C)=CC[N@@H+]1CCC[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001661739740 1080516441 /nfs/dbraw/zinc/51/64/41/1080516441.db2.gz RIMZESONTKIRQK-SJORKVTESA-N 1 3 307.482 2.123 20 0 DEADHO CC(C)=CC[NH2+]C1CCC(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001662129805 1080572090 /nfs/dbraw/zinc/57/20/90/1080572090.db2.gz CGFOQQQISOQSLD-GTPINHCMSA-N 1 3 307.482 2.311 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCCC1 ZINC001482111570 1080813307 /nfs/dbraw/zinc/81/33/07/1080813307.db2.gz YTILNKLSHLGJKC-DOTOQJQBSA-N 1 3 309.498 2.393 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)CN(C)C(C)C)cc1F ZINC001482172957 1080878444 /nfs/dbraw/zinc/87/84/44/1080878444.db2.gz CMZIEVXIJDMEGT-CQSZACIVSA-N 1 3 323.456 2.316 20 0 DEADHO CCCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCCCC1 ZINC001268987658 1081076996 /nfs/dbraw/zinc/07/69/96/1081076996.db2.gz BVTFJALRCYJMLX-IRXDYDNUSA-N 1 3 307.482 2.338 20 0 DEADHO CCCCC[NH+]1CC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001666837747 1081184830 /nfs/dbraw/zinc/18/48/30/1081184830.db2.gz KBWQPVWMTLDCFI-UHFFFAOYSA-N 1 3 307.482 2.197 20 0 DEADHO CC/C=C\CCN1CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001269311507 1081207689 /nfs/dbraw/zinc/20/76/89/1081207689.db2.gz UPMBUKMYZFZBPI-VGOKWCNXSA-N 1 3 307.482 2.265 20 0 DEADHO CCCCC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001667177372 1081220373 /nfs/dbraw/zinc/22/03/73/1081220373.db2.gz WAZZTNOQDXUUDT-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CCC1CC1 ZINC001667238391 1081229369 /nfs/dbraw/zinc/22/93/69/1081229369.db2.gz LQBGHVFLSSYJPE-IRXDYDNUSA-N 1 3 307.482 2.242 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H](CC[NH2+]C/C=C\Cl)C1 ZINC001269711970 1081342406 /nfs/dbraw/zinc/34/24/06/1081342406.db2.gz MOCCIWDAZCOOPM-FEDKZRLMSA-N 1 3 313.873 2.051 20 0 DEADHO C[C@@H]1CC[N@H+](CC(=O)N2CCN(CC3CCCCCC3)CC2)C1 ZINC000950502171 1081354894 /nfs/dbraw/zinc/35/48/94/1081354894.db2.gz MODSNMNCHSEPML-QGZVFWFLSA-N 1 3 321.509 2.443 20 0 DEADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(CC3CCCCCC3)CC2)C1 ZINC000950502171 1081354901 /nfs/dbraw/zinc/35/49/01/1081354901.db2.gz MODSNMNCHSEPML-QGZVFWFLSA-N 1 3 321.509 2.443 20 0 DEADHO Cc1cccc(C[NH2+]C/C=C/CNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001669039033 1081421820 /nfs/dbraw/zinc/42/18/20/1081421820.db2.gz IUESLPVUUSCESS-REMYHPOOSA-N 1 3 315.461 2.099 20 0 DEADHO CC[C@H](C(=O)NC/C=C\C[NH2+]C[C@H]1CCC(F)(F)C1)N(C)C ZINC001669145445 1081432018 /nfs/dbraw/zinc/43/20/18/1081432018.db2.gz LVENIBSPLDSGKQ-MEWZEZIVSA-N 1 3 317.424 2.024 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCC1 ZINC001270193749 1081471064 /nfs/dbraw/zinc/47/10/64/1081471064.db2.gz LSRXSWHFCDSLLJ-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]C/C=C\Cl ZINC001270308186 1081499221 /nfs/dbraw/zinc/49/92/21/1081499221.db2.gz CMFZOGUSBLUHIZ-IIQYJXCPSA-N 1 3 313.873 2.194 20 0 DEADHO CCCCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@H]2C1 ZINC001672447703 1081600591 /nfs/dbraw/zinc/60/05/91/1081600591.db2.gz OZEBJPFERZDDGM-FGTMMUONSA-N 1 3 321.509 2.441 20 0 DEADHO CCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@H]2C1 ZINC001672447703 1081600592 /nfs/dbraw/zinc/60/05/92/1081600592.db2.gz OZEBJPFERZDDGM-FGTMMUONSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001672917601 1081722288 /nfs/dbraw/zinc/72/22/88/1081722288.db2.gz XVGUTGLWEIUAES-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+]CC2=CCCCC2)CCC1 ZINC001673241931 1081749231 /nfs/dbraw/zinc/74/92/31/1081749231.db2.gz IJHDMRKFALJBFW-UHFFFAOYSA-N 1 3 307.482 2.456 20 0 DEADHO CC/C=C\CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001674441363 1081871529 /nfs/dbraw/zinc/87/15/29/1081871529.db2.gz YINKZQZHBMVULC-JEZUCGJFSA-N 1 3 307.482 2.360 20 0 DEADHO CC/C=C\CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001674441363 1081871530 /nfs/dbraw/zinc/87/15/30/1081871530.db2.gz YINKZQZHBMVULC-JEZUCGJFSA-N 1 3 307.482 2.360 20 0 DEADHO CC[NH+]1CCC(CC(=O)N2CC3(CCN3C3CCCC3)C2)CC1 ZINC001271066854 1081894886 /nfs/dbraw/zinc/89/48/86/1081894886.db2.gz JJRGXKRQIVBGKV-UHFFFAOYSA-N 1 3 319.493 2.338 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1CC[NH2+]C/C=C\Cl ZINC001482456320 1081905671 /nfs/dbraw/zinc/90/56/71/1081905671.db2.gz LZJVGKBIMLGYNH-XSHSDMCLSA-N 1 3 310.829 2.066 20 0 DEADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCC=C(Cl)Cl)[C@@H](C)C1 ZINC001502750171 1082121577 /nfs/dbraw/zinc/12/15/77/1082121577.db2.gz CSCSLBIVLXBDLA-RYUDHWBXSA-N 1 3 322.280 2.084 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCC=C(Cl)Cl)[C@@H](C)C1 ZINC001502750171 1082121581 /nfs/dbraw/zinc/12/15/81/1082121581.db2.gz CSCSLBIVLXBDLA-RYUDHWBXSA-N 1 3 322.280 2.084 20 0 DEADHO C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C[NH2+]CCF ZINC001271712612 1082115787 /nfs/dbraw/zinc/11/57/87/1082115787.db2.gz SMCUHBWJLMYXQM-WMLDXEAASA-N 1 3 321.440 2.015 20 0 DEADHO CC(C)=CCN(CCNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001493450170 1082163986 /nfs/dbraw/zinc/16/39/86/1082163986.db2.gz PRVOMSDKNSWDHV-UHFFFAOYSA-N 1 3 307.482 2.409 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCCC23CC[NH2+]CC3)CN1C1CC1 ZINC001648975915 1082296683 /nfs/dbraw/zinc/29/66/83/1082296683.db2.gz DYQRTSSAGSTIGJ-BFYDXBDKSA-N 1 3 319.493 2.288 20 0 DEADHO C[C@@H](CC[NH2+]CC=C(Cl)Cl)NC(=O)C1(N(C)C)CCC1 ZINC001482839666 1082527023 /nfs/dbraw/zinc/52/70/23/1082527023.db2.gz MABCHPMLKMUQAT-NSHDSACASA-N 1 3 322.280 2.274 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CCCF ZINC001482875882 1082540778 /nfs/dbraw/zinc/54/07/78/1082540778.db2.gz CFCJBLMAVAZUQO-HUUCEWRRSA-N 1 3 301.450 2.093 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@H]1CCc2ccccc21 ZINC001483285708 1083073717 /nfs/dbraw/zinc/07/37/17/1083073717.db2.gz HWLGJOCTDCMAHB-YOEHRIQHSA-N 1 3 303.450 2.110 20 0 DEADHO C[NH+](C)CC[C@@H](NCc1ccc(OCC(N)=O)cc1)C(C)(C)C ZINC001413123527 1083374801 /nfs/dbraw/zinc/37/48/01/1083374801.db2.gz MOJRBKUJHHZUAP-MRXNPFEDSA-N 1 3 321.465 2.007 20 0 DEADHO CC1(C[N@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)COC1 ZINC001276415541 1083421803 /nfs/dbraw/zinc/42/18/03/1083421803.db2.gz MOEBQDFQPADMEI-IYBDPMFKSA-N 1 3 303.450 2.195 20 0 DEADHO CC1(C[N@@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)COC1 ZINC001276415541 1083421808 /nfs/dbraw/zinc/42/18/08/1083421808.db2.gz MOEBQDFQPADMEI-IYBDPMFKSA-N 1 3 303.450 2.195 20 0 DEADHO Cc1cc(CN2CCC[C@@]3(CC[N@@H+](CCN(C)C)C3)C2)ccn1 ZINC001276807003 1083624100 /nfs/dbraw/zinc/62/41/00/1083624100.db2.gz XAWVLXJTHJXUPI-IBGZPJMESA-N 1 3 316.493 2.240 20 0 DEADHO Cc1cc(CN2CCC[C@@]3(CC[N@H+](CCN(C)C)C3)C2)ccn1 ZINC001276807003 1083624109 /nfs/dbraw/zinc/62/41/09/1083624109.db2.gz XAWVLXJTHJXUPI-IBGZPJMESA-N 1 3 316.493 2.240 20 0 DEADHO Cc1cc(CN2CCC[C@]3(CC[N@@H+](CCN(C)C)C3)C2)ccn1 ZINC001276807005 1083624231 /nfs/dbraw/zinc/62/42/31/1083624231.db2.gz XAWVLXJTHJXUPI-LJQANCHMSA-N 1 3 316.493 2.240 20 0 DEADHO Cc1cc(CN2CCC[C@]3(CC[N@H+](CCN(C)C)C3)C2)ccn1 ZINC001276807005 1083624235 /nfs/dbraw/zinc/62/42/35/1083624235.db2.gz XAWVLXJTHJXUPI-LJQANCHMSA-N 1 3 316.493 2.240 20 0 DEADHO [NH3+]C[C@@]1(O)CCCN(CCc2ccccc2C(F)(F)F)CC1 ZINC001205208220 1083756422 /nfs/dbraw/zinc/75/64/22/1083756422.db2.gz CAXIBULHPDRQKP-OAHLLOKOSA-N 1 3 316.367 2.424 20 0 DEADHO CC[C@@H](C(=O)NC[C@]1(C)CCC[N@H+](CCC2CC2)C1)N(C)C ZINC001402210283 1162289886 /nfs/dbraw/zinc/28/98/86/1162289886.db2.gz MCXVZJLJXHVZJH-WMZOPIPTSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)NC[C@]1(C)CCC[N@@H+](CCC2CC2)C1)N(C)C ZINC001402210283 1162289891 /nfs/dbraw/zinc/28/98/91/1162289891.db2.gz MCXVZJLJXHVZJH-WMZOPIPTSA-N 1 3 309.498 2.345 20 0 DEADHO CC/C=C\CCN1CC[C@H]2C[C@]21C(=O)NC1CC[NH+](C)CC1 ZINC001277527135 1084018111 /nfs/dbraw/zinc/01/81/11/1084018111.db2.gz VVHIJCBDIQOBOP-UGZKAYFTSA-N 1 3 305.466 2.018 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]CCCF)C1CC1 ZINC001277647600 1084075114 /nfs/dbraw/zinc/07/51/14/1084075114.db2.gz UAVTZZDWMKGUDN-HZPDHXFCSA-N 1 3 313.461 2.045 20 0 DEADHO Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1cncn1C ZINC001277765396 1084135952 /nfs/dbraw/zinc/13/59/52/1084135952.db2.gz HCDDCXFEQCMYIM-AGUYFDCRSA-N 1 3 317.462 2.475 20 0 DEADHO CN(C)C1(C(=O)N2CCCC[C@H]2C[NH2+]C/C=C\Cl)CCC1 ZINC001491251301 1084181826 /nfs/dbraw/zinc/18/18/26/1084181826.db2.gz LLQZAVZKQLJTDY-APFBBLRHSA-N 1 3 313.873 2.194 20 0 DEADHO COc1ccc2c(c1)C1(CCNCC1)[N@@H+](CCCCCO)CC2 ZINC001235020743 1084278052 /nfs/dbraw/zinc/27/80/52/1084278052.db2.gz XUXOPOUCEXQIIK-UHFFFAOYSA-N 1 3 318.461 2.295 20 0 DEADHO COc1ccc2c(c1)C1(CCNCC1)[N@H+](CCCCCO)CC2 ZINC001235020743 1084278063 /nfs/dbraw/zinc/27/80/63/1084278063.db2.gz XUXOPOUCEXQIIK-UHFFFAOYSA-N 1 3 318.461 2.295 20 0 DEADHO C[Si](C)(C)c1ccc(CN2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235037956 1084285215 /nfs/dbraw/zinc/28/52/15/1084285215.db2.gz RFPCFPSWFIKVAO-SJLPKXTDSA-N 1 3 318.537 2.042 20 0 DEADHO CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C1CC1)N(C)C ZINC001235355719 1084403618 /nfs/dbraw/zinc/40/36/18/1084403618.db2.gz SUVSUOVWFIZXQE-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C1CC1)N(C)C ZINC001235355719 1084403621 /nfs/dbraw/zinc/40/36/21/1084403621.db2.gz SUVSUOVWFIZXQE-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO Cc1ccc(CN2CCC[C@]23CCN(CC[NH+](C)C)C3=O)s1 ZINC001272933566 1084861332 /nfs/dbraw/zinc/86/13/32/1084861332.db2.gz DGZUDGMOPZRQPJ-QGZVFWFLSA-N 1 3 321.490 2.185 20 0 DEADHO C[C@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)NCCF ZINC001485914297 1084979747 /nfs/dbraw/zinc/97/97/47/1084979747.db2.gz XXLSBQFCPHKOAE-GDBMZVCRSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H](CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1)NCCF ZINC001485914297 1084979753 /nfs/dbraw/zinc/97/97/53/1084979753.db2.gz XXLSBQFCPHKOAE-GDBMZVCRSA-N 1 3 313.461 2.190 20 0 DEADHO CCCC[NH2+][C@H]1CN(C(=O)[C@H]2CCCN2C(C)C)CC1(C)C ZINC001486231932 1085140492 /nfs/dbraw/zinc/14/04/92/1085140492.db2.gz RABUCKOSSMOWMH-CVEARBPZSA-N 1 3 309.498 2.486 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C[NH2+]C/C=C/Cl)C(C)(C)C ZINC001486420073 1085293671 /nfs/dbraw/zinc/29/36/71/1085293671.db2.gz PNVHEHSVFQGUBM-GWJCSSMESA-N 1 3 303.878 2.201 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C[NH2+]C/C=C/Cl)C(C)(C)C ZINC001486420075 1085293833 /nfs/dbraw/zinc/29/38/33/1085293833.db2.gz PNVHEHSVFQGUBM-SBDDDAINSA-N 1 3 303.878 2.201 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCC1)N(C)C ZINC000960687711 1085413555 /nfs/dbraw/zinc/41/35/55/1085413555.db2.gz MFXJEJOPTPWACE-IRXDYDNUSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC1)N(C)C ZINC000960687711 1085413563 /nfs/dbraw/zinc/41/35/63/1085413563.db2.gz MFXJEJOPTPWACE-IRXDYDNUSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCC1)N(C)C ZINC000960860296 1085485959 /nfs/dbraw/zinc/48/59/59/1085485959.db2.gz MFXJEJOPTPWACE-IAGOWNOFSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC1)N(C)C ZINC000960860296 1085485965 /nfs/dbraw/zinc/48/59/65/1085485965.db2.gz MFXJEJOPTPWACE-IAGOWNOFSA-N 1 3 309.498 2.296 20 0 DEADHO C[N@H+](C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1)CC1CCCCC1 ZINC000960900985 1085499827 /nfs/dbraw/zinc/49/98/27/1085499827.db2.gz CCMGDKATXFCDKT-KRWDZBQOSA-N 1 3 318.465 2.455 20 0 DEADHO C[N@@H+](C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1)CC1CCCCC1 ZINC000960900985 1085499833 /nfs/dbraw/zinc/49/98/33/1085499833.db2.gz CCMGDKATXFCDKT-KRWDZBQOSA-N 1 3 318.465 2.455 20 0 DEADHO C[N@H+](CC1CCCC1)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000961029004 1085541301 /nfs/dbraw/zinc/54/13/01/1085541301.db2.gz PKPXMVQJTURTLU-QGZVFWFLSA-N 1 3 307.482 2.195 20 0 DEADHO C[N@@H+](CC1CCCC1)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000961029004 1085541319 /nfs/dbraw/zinc/54/13/19/1085541319.db2.gz PKPXMVQJTURTLU-QGZVFWFLSA-N 1 3 307.482 2.195 20 0 DEADHO CC1CC(C[N@H+](C)C[C@H]2CCCN2C(=O)CN2CCCC2)C1 ZINC000961026166 1085542521 /nfs/dbraw/zinc/54/25/21/1085542521.db2.gz CNUPBOQYXNYJOG-OFLPRAFFSA-N 1 3 307.482 2.051 20 0 DEADHO CC1CC(C[N@@H+](C)C[C@H]2CCCN2C(=O)CN2CCCC2)C1 ZINC000961026166 1085542528 /nfs/dbraw/zinc/54/25/28/1085542528.db2.gz CNUPBOQYXNYJOG-OFLPRAFFSA-N 1 3 307.482 2.051 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961237049 1085649299 /nfs/dbraw/zinc/64/92/99/1085649299.db2.gz ZYPCFIKUPGOPPO-HZPDHXFCSA-N 1 3 318.465 2.313 20 0 DEADHO CCCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961237049 1085649305 /nfs/dbraw/zinc/64/93/05/1085649305.db2.gz ZYPCFIKUPGOPPO-HZPDHXFCSA-N 1 3 318.465 2.313 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000961339502 1085695295 /nfs/dbraw/zinc/69/52/95/1085695295.db2.gz HMYSIYGENBVSAR-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000961339502 1085695302 /nfs/dbraw/zinc/69/53/02/1085695302.db2.gz HMYSIYGENBVSAR-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCC3)C[C@H]21 ZINC000961768509 1085856524 /nfs/dbraw/zinc/85/65/24/1085856524.db2.gz BPJKXAFREPTOMU-NWGLXNPWSA-N 1 3 319.493 2.097 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21 ZINC000961768509 1085856529 /nfs/dbraw/zinc/85/65/29/1085856529.db2.gz BPJKXAFREPTOMU-NWGLXNPWSA-N 1 3 319.493 2.097 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+]C/C=C/c1ccccc1 ZINC001128527684 1086180659 /nfs/dbraw/zinc/18/06/59/1086180659.db2.gz BUCJDQAESVQODC-VGMNTSGFSA-N 1 3 321.440 2.086 20 0 DEADHO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963383908 1086438678 /nfs/dbraw/zinc/43/86/78/1086438678.db2.gz OVFNFNDLVOGRFB-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963383908 1086438683 /nfs/dbraw/zinc/43/86/83/1086438683.db2.gz OVFNFNDLVOGRFB-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C(=O)CN1CCC(C)(C)C1)C1CCC([NH2+]CC2CC2)CC1 ZINC000963902862 1086591853 /nfs/dbraw/zinc/59/18/53/1086591853.db2.gz SFGJKLZVIXBJON-UHFFFAOYSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CN1C[C@@]2(CC1=O)CCCCN2C[C@@H]1CCC[N@H+](C)C1 ZINC001273143488 1086678125 /nfs/dbraw/zinc/67/81/25/1086678125.db2.gz HTLOJQVOFJOSIH-MJGOQNOKSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)CN1C[C@@]2(CC1=O)CCCCN2C[C@@H]1CCC[N@@H+](C)C1 ZINC001273143488 1086678127 /nfs/dbraw/zinc/67/81/27/1086678127.db2.gz HTLOJQVOFJOSIH-MJGOQNOKSA-N 1 3 321.509 2.441 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001168763869 1087570420 /nfs/dbraw/zinc/57/04/20/1087570420.db2.gz RUIWRCATDLFRQH-INIZCTEOSA-N 1 3 305.466 2.494 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+]CC[C@@H]1CCCC1(F)F ZINC001168764030 1087629258 /nfs/dbraw/zinc/62/92/58/1087629258.db2.gz WUAPHLHFKRJQID-AWEZNQCLSA-N 1 3 319.440 2.250 20 0 DEADHO CC[NH+]1CCC2(CCN(C(=O)C3(N(C)C)CCC3)CC2)CC1 ZINC000957560380 1088410113 /nfs/dbraw/zinc/41/01/13/1088410113.db2.gz XTFIKQOQTCOWFY-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CC[NH+]1CCC2(CCN(C(=O)CN3CC[C@H](C)C3)CC2)CC1 ZINC000957605960 1088453302 /nfs/dbraw/zinc/45/33/02/1088453302.db2.gz RWFNFQFHJIGQPF-INIZCTEOSA-N 1 3 307.482 2.053 20 0 DEADHO CC[N@H+](CC1CC1)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000957753369 1088598814 /nfs/dbraw/zinc/59/88/14/1088598814.db2.gz LSJLCVGKFJWRRR-MRXNPFEDSA-N 1 3 321.509 2.299 20 0 DEADHO CC[N@@H+](CC1CC1)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000957753369 1088598829 /nfs/dbraw/zinc/59/88/29/1088598829.db2.gz LSJLCVGKFJWRRR-MRXNPFEDSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000957774667 1088612005 /nfs/dbraw/zinc/61/20/05/1088612005.db2.gz YZIPLXKYUULEHY-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CCC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)CN3CCC[C@@H]3C)[C@@H]2C1 ZINC001114832227 1088928665 /nfs/dbraw/zinc/92/86/65/1088928665.db2.gz NMFOBGXWNOCARK-YXVXOVKNSA-N 1 3 319.493 2.264 20 0 DEADHO CCC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)CN3CCC[C@@H]3C)[C@@H]2C1 ZINC001114832227 1088928675 /nfs/dbraw/zinc/92/86/75/1088928675.db2.gz NMFOBGXWNOCARK-YXVXOVKNSA-N 1 3 319.493 2.264 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21)N(C)C ZINC001114851369 1089210135 /nfs/dbraw/zinc/21/01/35/1089210135.db2.gz DAGIURWOXPULAH-XUWVNRHRSA-N 1 3 309.498 2.199 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21)N(C)C ZINC001114851369 1089210148 /nfs/dbraw/zinc/21/01/48/1089210148.db2.gz DAGIURWOXPULAH-XUWVNRHRSA-N 1 3 309.498 2.199 20 0 DEADHO Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCCN2C)cs1 ZINC001410346503 1090569601 /nfs/dbraw/zinc/56/96/01/1090569601.db2.gz NPNBZLXLWIAPRX-SWLSCSKDSA-N 1 3 309.479 2.087 20 0 DEADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CCC1CCCC1 ZINC001410383189 1090600841 /nfs/dbraw/zinc/60/08/41/1090600841.db2.gz KVWFOGOYNSFVEB-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH]cn1)c1ccccc1 ZINC001410458144 1090702676 /nfs/dbraw/zinc/70/26/76/1090702676.db2.gz ZFNWRFRZODMSIU-UONOGXRCSA-N 1 3 300.406 2.150 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]C/C=C/Cl)C(C)(C)C1)N(C)C ZINC001411101122 1091341849 /nfs/dbraw/zinc/34/18/49/1091341849.db2.gz KPSAFLYVRUXDPG-GODNBWANSA-N 1 3 315.889 2.152 20 0 DEADHO CN(C)CC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3Cl)[C@@H]2C1 ZINC001275249540 1091637763 /nfs/dbraw/zinc/63/77/63/1091637763.db2.gz JSAAKLSUIFSUDU-DOTOQJQBSA-N 1 3 307.869 2.408 20 0 DEADHO CN(C)CC[N@H+]1C[C@@H]2CCN(Cc3ccccc3Cl)[C@@H]2C1 ZINC001275249540 1091637767 /nfs/dbraw/zinc/63/77/67/1091637767.db2.gz JSAAKLSUIFSUDU-DOTOQJQBSA-N 1 3 307.869 2.408 20 0 DEADHO COC(=O)c1cccc(CN2CCC3(CC[N@H+](C)C3)CC2)c1 ZINC001276211942 1091705348 /nfs/dbraw/zinc/70/53/48/1091705348.db2.gz GSWGHHKVPAOAFW-UHFFFAOYSA-N 1 3 302.418 2.391 20 0 DEADHO COC(=O)c1cccc(CN2CCC3(CC[N@@H+](C)C3)CC2)c1 ZINC001276211942 1091705355 /nfs/dbraw/zinc/70/53/55/1091705355.db2.gz GSWGHHKVPAOAFW-UHFFFAOYSA-N 1 3 302.418 2.391 20 0 DEADHO CN(C)CC[NH2+][C@@]12CC[C@@](NCc3ccnc(F)c3)(C1)CCC2 ZINC001275400641 1091717647 /nfs/dbraw/zinc/71/76/47/1091717647.db2.gz XASOHJSIKHDHRN-ZWKOTPCHSA-N 1 3 320.456 2.307 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCN(CC3CCCC3)CC2)C1 ZINC000948739009 1091908674 /nfs/dbraw/zinc/90/86/74/1091908674.db2.gz URBIFMTZARBFHW-SFHVURJKSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2CCN(CC3CCCC3)CC2)C1 ZINC000948739009 1091908679 /nfs/dbraw/zinc/90/86/79/1091908679.db2.gz URBIFMTZARBFHW-SFHVURJKSA-N 1 3 321.509 2.299 20 0 DEADHO CCN(CC[NH2+]CC[C@H](C)F)C(=O)[C@H]1CCCCN1C(C)C ZINC001273646018 1091970608 /nfs/dbraw/zinc/97/06/08/1091970608.db2.gz QLEKWGUPSQPHST-JKSUJKDBSA-N 1 3 315.477 2.436 20 0 DEADHO CC[C@H](C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)N1CCCC1 ZINC001488648863 1092659175 /nfs/dbraw/zinc/65/91/75/1092659175.db2.gz VVJZOCTUKNSEEV-HOTGVXAUSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C)C[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)N1CCCC1 ZINC001488648863 1092659187 /nfs/dbraw/zinc/65/91/87/1092659187.db2.gz VVJZOCTUKNSEEV-HOTGVXAUSA-N 1 3 309.498 2.440 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC=C(C)C)C1 ZINC001488739324 1092718269 /nfs/dbraw/zinc/71/82/69/1092718269.db2.gz HKCLTHFRKLUZKB-BBWFWOEESA-N 1 3 307.482 2.311 20 0 DEADHO CC(C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001488773265 1092744169 /nfs/dbraw/zinc/74/41/69/1092744169.db2.gz OAPBFONMECLQBH-JKIFEVAISA-N 1 3 313.461 2.092 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)C3CCC3)C(C)(C)[C@H]21 ZINC001489087899 1092939459 /nfs/dbraw/zinc/93/94/59/1092939459.db2.gz SSONLIVJIOJAHS-NXHRZFHOSA-N 1 3 321.509 2.486 20 0 DEADHO CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)C3CCC3)C(C)(C)[C@H]21 ZINC001489087899 1092939462 /nfs/dbraw/zinc/93/94/62/1092939462.db2.gz SSONLIVJIOJAHS-NXHRZFHOSA-N 1 3 321.509 2.486 20 0 DEADHO CC[C@@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001489237921 1093000043 /nfs/dbraw/zinc/00/00/43/1093000043.db2.gz CBKBVFBLJAUVEN-HUUCEWRRSA-N 1 3 306.454 2.359 20 0 DEADHO CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001490552728 1093415549 /nfs/dbraw/zinc/41/55/49/1093415549.db2.gz DQFBSEFFIZZJDS-SQRWCISFSA-N 1 3 307.482 2.408 20 0 DEADHO CC/C=C/CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001490552728 1093415558 /nfs/dbraw/zinc/41/55/58/1093415558.db2.gz DQFBSEFFIZZJDS-SQRWCISFSA-N 1 3 307.482 2.408 20 0 DEADHO CC1=CCC=C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2CCCN(C)C ZINC001278047665 1138496882 /nfs/dbraw/zinc/49/68/82/1138496882.db2.gz FIEFRSDGIBJQLX-SQNIBIBYSA-N 1 3 317.477 2.136 20 0 DEADHO CC1=CCC=C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2CCCN(C)C ZINC001278047665 1138496895 /nfs/dbraw/zinc/49/68/95/1138496895.db2.gz FIEFRSDGIBJQLX-SQNIBIBYSA-N 1 3 317.477 2.136 20 0 DEADHO C[NH+]1CCC2(CCN(Cc3ccccc3OCCO)CC2)CC1 ZINC001237210513 1138532899 /nfs/dbraw/zinc/53/28/99/1138532899.db2.gz YRHUNKIQXWVDEW-UHFFFAOYSA-N 1 3 318.461 2.366 20 0 DEADHO CC(C)C1=NCCc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc21 ZINC001237876054 1138807455 /nfs/dbraw/zinc/80/74/55/1138807455.db2.gz CCFUPGWVOFNODX-MRXNPFEDSA-N 1 3 313.445 2.385 20 0 DEADHO CC(C)C1=NCCc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc21 ZINC001237876054 1138807456 /nfs/dbraw/zinc/80/74/56/1138807456.db2.gz CCFUPGWVOFNODX-MRXNPFEDSA-N 1 3 313.445 2.385 20 0 DEADHO CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001278326749 1139757940 /nfs/dbraw/zinc/75/79/40/1139757940.db2.gz URJFGWGIHMIBJE-SDKBWNRFSA-N 1 3 307.482 2.408 20 0 DEADHO C[C@@H](C[NH2+]CCCc1ccccc1)N(C)C(=O)CN1CCCC1 ZINC001319574753 1140618680 /nfs/dbraw/zinc/61/86/80/1140618680.db2.gz MNPVYJFQQLLJBS-KRWDZBQOSA-N 1 3 317.477 2.152 20 0 DEADHO C[C@@H]1CC[C@@H](CNC[C@@H](O)COc2ccc(Cl)cc2)C[NH2+]1 ZINC001245975833 1140840681 /nfs/dbraw/zinc/84/06/81/1140840681.db2.gz QPZUYEONOLHKHM-VNHYZAJKSA-N 1 3 312.841 2.057 20 0 DEADHO F[C@H]1CNCC[C@@H]1N[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001246091332 1140860058 /nfs/dbraw/zinc/86/00/58/1140860058.db2.gz JMWXWKAAMUAEPZ-BZSNNMDCSA-N 1 3 305.441 2.331 20 0 DEADHO F[C@H]1CNCC[C@@H]1N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246091332 1140860059 /nfs/dbraw/zinc/86/00/59/1140860059.db2.gz JMWXWKAAMUAEPZ-BZSNNMDCSA-N 1 3 305.441 2.331 20 0 DEADHO O=C1CC[C@H](N[C@H]2CCCC[NH2+]C2)CCN1Cc1ccccc1 ZINC001246092485 1140860249 /nfs/dbraw/zinc/86/02/49/1140860249.db2.gz RXYFXNZTGKURBJ-ROUUACIJSA-N 1 3 315.461 2.299 20 0 DEADHO Cc1cc(F)ccc1[C@H]1C[C@@H](N[C@@H]2CCNC[C@H]2F)CC[NH2+]1 ZINC001246216712 1140874553 /nfs/dbraw/zinc/87/45/53/1140874553.db2.gz HWHIFQVVOPIENA-RKTXRCNFSA-N 1 3 309.404 2.217 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)CCN1 ZINC001246354627 1140887696 /nfs/dbraw/zinc/88/76/96/1140887696.db2.gz XKLKZKCOROVNTC-ZFWWWQNUSA-N 1 3 319.424 2.160 20 0 DEADHO Brc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC001246355472 1140887716 /nfs/dbraw/zinc/88/77/16/1140887716.db2.gz OPLHEYLPNBWKKR-FUNVUKJBSA-N 1 3 310.239 2.259 20 0 DEADHO Fc1cc(F)cc(CN2CCC(N[C@H]3CCC[NH2+]C3)CC2)c1 ZINC001246361789 1140888229 /nfs/dbraw/zinc/88/82/29/1140888229.db2.gz YFZXBVOXOKAFCY-KRWDZBQOSA-N 1 3 309.404 2.271 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC2(Cc3cccnc3)CCOCC2)CCN1 ZINC001246376326 1140890475 /nfs/dbraw/zinc/89/04/75/1140890475.db2.gz UIGLZQABKPTIDW-WBVHZDCISA-N 1 3 303.450 2.151 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC2(Cc3ccncc3)CCOCC2)CCN1 ZINC001246387846 1140892449 /nfs/dbraw/zinc/89/24/49/1140892449.db2.gz LHMFBFMYWGXHSD-NVXWUHKLSA-N 1 3 303.450 2.151 20 0 DEADHO CC(=O)N1CC[C@@H](N[C@@H](c2ccccc2F)C2CC[NH2+]CC2)C1 ZINC001246400555 1140893937 /nfs/dbraw/zinc/89/39/37/1140893937.db2.gz OTWXAJNKJXSDRC-CRAIPNDOSA-N 1 3 319.424 2.077 20 0 DEADHO CCC[C@@H](CCc1ccccc1)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246416792 1140895749 /nfs/dbraw/zinc/89/57/49/1140895749.db2.gz LWKPUHQBDSOBRU-IRXDYDNUSA-N 1 3 305.466 2.360 20 0 DEADHO O=C(OC1CCC([NH2+][C@@H]2CC23CNC3)CC1)c1ccccc1 ZINC001246443664 1140899209 /nfs/dbraw/zinc/89/92/09/1140899209.db2.gz HROYITSETXFBEC-UYSNPLJNSA-N 1 3 300.402 2.106 20 0 DEADHO O=C(OC1CCC(N[C@@H]2CC23C[NH2+]C3)CC1)c1ccccc1 ZINC001246443664 1140899211 /nfs/dbraw/zinc/89/92/11/1140899211.db2.gz HROYITSETXFBEC-UYSNPLJNSA-N 1 3 300.402 2.106 20 0 DEADHO c1cncc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCOCC2)c1 ZINC001246443186 1140899274 /nfs/dbraw/zinc/89/92/74/1140899274.db2.gz XSHJSEUZZIFLOL-SJPCQFCGSA-N 1 3 301.434 2.002 20 0 DEADHO CCN(CC[NH2+]Cc1cccc(C)c1)C(=O)CN(C)C1CCC1 ZINC001320755497 1140910189 /nfs/dbraw/zinc/91/01/89/1140910189.db2.gz CLRVSKMZLOFXBR-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO C[C@@H](CSc1ccc(F)cc1)N1CCCC[C@](O)(C[NH3+])C1 ZINC001246562566 1140966724 /nfs/dbraw/zinc/96/67/24/1140966724.db2.gz UJVPXWXISDPKDW-BBRMVZONSA-N 1 3 312.454 2.482 20 0 DEADHO C[C@@H](CSc1ccc(F)cc1)[N@@H+]1CCCC[C@](O)(CN)C1 ZINC001246562566 1140966728 /nfs/dbraw/zinc/96/67/28/1140966728.db2.gz UJVPXWXISDPKDW-BBRMVZONSA-N 1 3 312.454 2.482 20 0 DEADHO C[C@@H](CSc1ccc(F)cc1)[N@H+]1CCCC[C@](O)(CN)C1 ZINC001246562566 1140966734 /nfs/dbraw/zinc/96/67/34/1140966734.db2.gz UJVPXWXISDPKDW-BBRMVZONSA-N 1 3 312.454 2.482 20 0 DEADHO COC(=O)c1ccc(C[C@H](C)N2C[C@@H](C[NH3+])CC[C@H]2C)cc1 ZINC001246595411 1140997624 /nfs/dbraw/zinc/99/76/24/1140997624.db2.gz ZNGJNOJPSHSNMY-IJEWVQPXSA-N 1 3 304.434 2.463 20 0 DEADHO COC(=O)c1ccc(C[C@H](C)[N@@H+]2C[C@@H](CN)CC[C@H]2C)cc1 ZINC001246595411 1140997630 /nfs/dbraw/zinc/99/76/30/1140997630.db2.gz ZNGJNOJPSHSNMY-IJEWVQPXSA-N 1 3 304.434 2.463 20 0 DEADHO COC(=O)c1ccc(C[C@H](C)[N@H+]2C[C@@H](CN)CC[C@H]2C)cc1 ZINC001246595411 1140997638 /nfs/dbraw/zinc/99/76/38/1140997638.db2.gz ZNGJNOJPSHSNMY-IJEWVQPXSA-N 1 3 304.434 2.463 20 0 DEADHO O=C1C[C@@]2(CCN(C3CC[NH2+]CC3)C2)CN1c1ccc(F)cc1 ZINC001246718148 1141044324 /nfs/dbraw/zinc/04/43/24/1141044324.db2.gz WMKVGTOZITYNIC-GOSISDBHSA-N 1 3 317.408 2.007 20 0 DEADHO O=C1C[C@@]2(CC[N@@H+](C3CCNCC3)C2)CN1c1ccc(F)cc1 ZINC001246718148 1141044333 /nfs/dbraw/zinc/04/43/33/1141044333.db2.gz WMKVGTOZITYNIC-GOSISDBHSA-N 1 3 317.408 2.007 20 0 DEADHO O=C1C[C@@]2(CC[N@H+](C3CCNCC3)C2)CN1c1ccc(F)cc1 ZINC001246718148 1141044344 /nfs/dbraw/zinc/04/43/44/1141044344.db2.gz WMKVGTOZITYNIC-GOSISDBHSA-N 1 3 317.408 2.007 20 0 DEADHO Cc1cnc2n1CCC21CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246724811 1141046071 /nfs/dbraw/zinc/04/60/71/1141046071.db2.gz YTIMGJGPEIJXTN-XYPWUTKMSA-N 1 3 300.450 2.212 20 0 DEADHO O=C1C[C@@H]2[C@H](CCN2C2C[C@H]3CC[C@@H](C2)[NH2+]3)N1c1ccsc1 ZINC001246738752 1141048284 /nfs/dbraw/zinc/04/82/84/1141048284.db2.gz FVDYOUXRYIQQSZ-JSITXCQRSA-N 1 3 317.458 2.211 20 0 DEADHO C[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)CN1 ZINC001246758618 1141051146 /nfs/dbraw/zinc/05/11/46/1141051146.db2.gz ONJKLCRKDDZAFL-NXWXRZEISA-N 1 3 322.493 2.282 20 0 DEADHO C[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)CN1 ZINC001246758618 1141051155 /nfs/dbraw/zinc/05/11/55/1141051155.db2.gz ONJKLCRKDDZAFL-NXWXRZEISA-N 1 3 322.493 2.282 20 0 DEADHO C[NH2+]CC[C@H](C)N1CC[C@]2(CC(=O)N(c3ccc(C)cc3)C2)C1 ZINC001246769191 1141053943 /nfs/dbraw/zinc/05/39/43/1141053943.db2.gz DYAZDRBZWXIAAO-LPHOPBHVSA-N 1 3 315.461 2.422 20 0 DEADHO F[C@@H]1CNCC[C@H]1N(Cc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC001246843627 1141083736 /nfs/dbraw/zinc/08/37/36/1141083736.db2.gz GPOIGDONERXEQK-KZNAEPCWSA-N 1 3 305.441 2.331 20 0 DEADHO COc1cc2c(cc1OC)[C@@H](CN(C)[C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246873773 1141096269 /nfs/dbraw/zinc/09/62/69/1141096269.db2.gz ATUAKPXABBRZGM-BPLDGKMQSA-N 1 3 304.434 2.416 20 0 DEADHO COc1cc2c(cc1OC)[C@@H](C[N@H+](C)[C@@H]1CCN[C@H](C)C1)C2 ZINC001246873773 1141096278 /nfs/dbraw/zinc/09/62/78/1141096278.db2.gz ATUAKPXABBRZGM-BPLDGKMQSA-N 1 3 304.434 2.416 20 0 DEADHO COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)[C@@H]1CCN[C@H](C)C1)C2 ZINC001246873773 1141096288 /nfs/dbraw/zinc/09/62/88/1141096288.db2.gz ATUAKPXABBRZGM-BPLDGKMQSA-N 1 3 304.434 2.416 20 0 DEADHO CC(C)CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001278564798 1142179853 /nfs/dbraw/zinc/17/98/53/1142179853.db2.gz LJLAJOMPLAIAQC-JKSUJKDBSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1cc(N2CCOCC2)cc2[nH]c(C3CC[NH2+]CC3)nc21 ZINC001250549342 1142234750 /nfs/dbraw/zinc/23/47/50/1142234750.db2.gz ZGAUFKFTEIWFIT-UHFFFAOYSA-N 1 3 300.406 2.175 20 0 DEADHO COc1cccc([C@H](O)CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001250735491 1142299102 /nfs/dbraw/zinc/29/91/02/1142299102.db2.gz XGWBVCZNZOTDQG-XLMAVXFVSA-N 1 3 304.434 2.334 20 0 DEADHO COc1cccc([C@H](O)CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001250735491 1142299115 /nfs/dbraw/zinc/29/91/15/1142299115.db2.gz XGWBVCZNZOTDQG-XLMAVXFVSA-N 1 3 304.434 2.334 20 0 DEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2cccc(F)c2)C1 ZINC001250829584 1142329130 /nfs/dbraw/zinc/32/91/30/1142329130.db2.gz QHACFZBAYYBMDW-XHSDSOJGSA-N 1 3 310.413 2.028 20 0 DEADHO CC(C)N1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2)[C@H](C)C1 ZINC001251259311 1142413688 /nfs/dbraw/zinc/41/36/88/1142413688.db2.gz DZFDGFBDNYIKNF-RYRKJORJSA-N 1 3 306.450 2.135 20 0 DEADHO CCCC[C@H](O)C[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001252118960 1142646902 /nfs/dbraw/zinc/64/69/02/1142646902.db2.gz PDFWNRGMPCDONT-SFHVURJKSA-N 1 3 305.466 2.434 20 0 DEADHO CCN(CC)C[C@@H](O)C[N@H+](CC)CCc1ccc(OC)cc1 ZINC001253192084 1142851627 /nfs/dbraw/zinc/85/16/27/1142851627.db2.gz JEZUICNZUUSNAM-QGZVFWFLSA-N 1 3 308.466 2.262 20 0 DEADHO CCN(CC)C[C@@H](O)C[N@@H+](CC)CCc1ccc(OC)cc1 ZINC001253192084 1142851628 /nfs/dbraw/zinc/85/16/28/1142851628.db2.gz JEZUICNZUUSNAM-QGZVFWFLSA-N 1 3 308.466 2.262 20 0 DEADHO CCN(CC)C[C@@H](O)C[NH2+]C1(Cc2cccc(OC)c2)CC1 ZINC001253212942 1142855076 /nfs/dbraw/zinc/85/50/76/1142855076.db2.gz JHDUKYXWRXGJPH-INIZCTEOSA-N 1 3 306.450 2.063 20 0 DEADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C[C@H](O)C(C)(C)C)C2 ZINC001253725884 1142899534 /nfs/dbraw/zinc/89/95/34/1142899534.db2.gz DKAPYRDOKOUPDF-LNLFQRSKSA-N 1 3 324.509 2.074 20 0 DEADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C[C@H](O)C(C)(C)C)C2 ZINC001253725884 1142899535 /nfs/dbraw/zinc/89/95/35/1142899535.db2.gz DKAPYRDOKOUPDF-LNLFQRSKSA-N 1 3 324.509 2.074 20 0 DEADHO NCCC[NH2+]CCCCn1cc(-c2cccc(Cl)c2)nn1 ZINC001254163628 1143051241 /nfs/dbraw/zinc/05/12/41/1143051241.db2.gz UBNWBBYMNPVRKF-UHFFFAOYSA-N 1 3 307.829 2.317 20 0 DEADHO NCCC[NH2+]CCCCn1cc(-c2ccc(Cl)cc2)nn1 ZINC001254162635 1143051353 /nfs/dbraw/zinc/05/13/53/1143051353.db2.gz GCCXFVFKQHMNAX-UHFFFAOYSA-N 1 3 307.829 2.317 20 0 DEADHO CCOC(=O)Cc1ccc(C[NH2+][C@H]2CCCN(C)CC2)cc1 ZINC001254501384 1143145315 /nfs/dbraw/zinc/14/53/15/1143145315.db2.gz UKVORSCTOIRYQC-KRWDZBQOSA-N 1 3 304.434 2.366 20 0 DEADHO CCOC(=O)Cc1ccc(CN[C@H]2CCC[N@H+](C)CC2)cc1 ZINC001254501384 1143145348 /nfs/dbraw/zinc/14/53/48/1143145348.db2.gz UKVORSCTOIRYQC-KRWDZBQOSA-N 1 3 304.434 2.366 20 0 DEADHO CCOC(=O)Cc1ccc(CN[C@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254501384 1143145386 /nfs/dbraw/zinc/14/53/86/1143145386.db2.gz UKVORSCTOIRYQC-KRWDZBQOSA-N 1 3 304.434 2.366 20 0 DEADHO C[N@@H+]1CCC[C@H](N2CC3(C2)CCN(Cc2cccnc2)C3)CC1 ZINC001254520424 1143195252 /nfs/dbraw/zinc/19/52/52/1143195252.db2.gz XMXHDBCDGVLTEZ-SFHVURJKSA-N 1 3 314.477 2.074 20 0 DEADHO C[N@H+]1CCC[C@H](N2CC3(C2)CCN(Cc2cccnc2)C3)CC1 ZINC001254520424 1143195281 /nfs/dbraw/zinc/19/52/81/1143195281.db2.gz XMXHDBCDGVLTEZ-SFHVURJKSA-N 1 3 314.477 2.074 20 0 DEADHO C[N@@H+]1CCC[C@H](n2nc(C(F)(F)F)c3c2CCNC3)CC1 ZINC001254529580 1143218893 /nfs/dbraw/zinc/21/88/93/1143218893.db2.gz OAWDHJWQFIVTIM-JTQLQIEISA-N 1 3 302.344 2.204 20 0 DEADHO C[N@H+]1CCC[C@H](n2nc(C(F)(F)F)c3c2CCNC3)CC1 ZINC001254529580 1143218914 /nfs/dbraw/zinc/21/89/14/1143218914.db2.gz OAWDHJWQFIVTIM-JTQLQIEISA-N 1 3 302.344 2.204 20 0 DEADHO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCCN(C)CC2)Cc2ccccc21 ZINC001254531878 1143227191 /nfs/dbraw/zinc/22/71/91/1143227191.db2.gz MKPSEGAWFCDCDB-NVXWUHKLSA-N 1 3 302.418 2.243 20 0 DEADHO COC(=O)[C@@H]1C[N@H+]([C@@H]2CCCN(C)CC2)Cc2ccccc21 ZINC001254531878 1143227202 /nfs/dbraw/zinc/22/72/02/1143227202.db2.gz MKPSEGAWFCDCDB-NVXWUHKLSA-N 1 3 302.418 2.243 20 0 DEADHO COc1cccnc1O[C@@H]1CCC[N@@H+]([C@H]2CCCN(C)CC2)C1 ZINC001254532179 1143229106 /nfs/dbraw/zinc/22/91/06/1143229106.db2.gz QTHQVSMJGGWRKM-JKSUJKDBSA-N 1 3 319.449 2.418 20 0 DEADHO COc1cccnc1O[C@@H]1CCC[N@H+]([C@H]2CCCN(C)CC2)C1 ZINC001254532179 1143229132 /nfs/dbraw/zinc/22/91/32/1143229132.db2.gz QTHQVSMJGGWRKM-JKSUJKDBSA-N 1 3 319.449 2.418 20 0 DEADHO CCN1CCN(Cc2ccc(C[NH2+]C3CCOCC3)cc2)CC1 ZINC001255031976 1143388548 /nfs/dbraw/zinc/38/85/48/1143388548.db2.gz XCNBKOOBQRRDJE-UHFFFAOYSA-N 1 3 317.477 2.093 20 0 DEADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H](N1CCC([NH+]3CCC3)CC1)C2 ZINC001255219727 1143512334 /nfs/dbraw/zinc/51/23/34/1143512334.db2.gz VVLWMNMCEVPMGQ-FVQHAEBGSA-N 1 3 321.465 2.308 20 0 DEADHO CCCC[C@@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001255327131 1143558566 /nfs/dbraw/zinc/55/85/66/1143558566.db2.gz WBXYGCVBCZCGOC-NCOADZHNSA-N 1 3 305.470 2.251 20 0 DEADHO CCCC[C@@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001255327131 1143558575 /nfs/dbraw/zinc/55/85/75/1143558575.db2.gz WBXYGCVBCZCGOC-NCOADZHNSA-N 1 3 305.470 2.251 20 0 DEADHO C[C@@H](Cc1ccc(F)cc1)N1CCN(CCC[NH+](C)C)CC1 ZINC001255875119 1143812339 /nfs/dbraw/zinc/81/23/39/1143812339.db2.gz GSSBIZFUEJOLBO-INIZCTEOSA-N 1 3 307.457 2.326 20 0 DEADHO CCN(CC)CC[C@@H](C)[NH2+]C1CCN(C(=O)NC(C)C)CC1 ZINC001255949826 1143816360 /nfs/dbraw/zinc/81/63/60/1143816360.db2.gz BFOJBSGEPMHVDU-OAHLLOKOSA-N 1 3 312.502 2.279 20 0 DEADHO Cc1cnccc1O[C@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3C)C1 ZINC001256631547 1143859238 /nfs/dbraw/zinc/85/92/38/1143859238.db2.gz YLZBEZDCDPNLLA-WFVVYAPDSA-N 1 3 301.434 2.468 20 0 DEADHO Cc1cnccc1O[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)N3C)C1 ZINC001256631547 1143859239 /nfs/dbraw/zinc/85/92/39/1143859239.db2.gz YLZBEZDCDPNLLA-WFVVYAPDSA-N 1 3 301.434 2.468 20 0 DEADHO Cc1cnccc1O[C@H]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001256631547 1143859242 /nfs/dbraw/zinc/85/92/42/1143859242.db2.gz YLZBEZDCDPNLLA-WFVVYAPDSA-N 1 3 301.434 2.468 20 0 DEADHO Cc1cnccc1O[C@H]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001256631547 1143859243 /nfs/dbraw/zinc/85/92/43/1143859243.db2.gz YLZBEZDCDPNLLA-WFVVYAPDSA-N 1 3 301.434 2.468 20 0 DEADHO CCOc1cccc(C[NH2+]C2CCC(N3CCOCC3)CC2)n1 ZINC001256685294 1143861994 /nfs/dbraw/zinc/86/19/94/1143861994.db2.gz CLUOLIOKEMHUGL-UHFFFAOYSA-N 1 3 319.449 2.213 20 0 DEADHO Nc1ccc(C2([NH2+]C3CCC(N4CCOCC4)CC3)CC2)cc1 ZINC001256688033 1143862486 /nfs/dbraw/zinc/86/24/86/1143862486.db2.gz MUHDLMZVRONWFC-UHFFFAOYSA-N 1 3 315.461 2.491 20 0 DEADHO CC(C)OC1CCC(N2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC001257883165 1143957867 /nfs/dbraw/zinc/95/78/67/1143957867.db2.gz QSTITAQEYXDXCD-UHFFFAOYSA-N 1 3 323.525 2.436 20 0 DEADHO CC(C)CN1CCC([NH+]2CCC(N3CCCC3=O)CC2)CC1 ZINC001258018209 1143966545 /nfs/dbraw/zinc/96/65/45/1143966545.db2.gz XIRQJTRQMNXJNN-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO CSC(C)(C)C[C@H](C)[N@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001258344005 1143993223 /nfs/dbraw/zinc/99/32/23/1143993223.db2.gz HFBQOGKYOFTGQW-AWEZNQCLSA-N 1 3 315.527 2.003 20 0 DEADHO CSC(C)(C)C[C@H](C)[N@@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001258344005 1143993227 /nfs/dbraw/zinc/99/32/27/1143993227.db2.gz HFBQOGKYOFTGQW-AWEZNQCLSA-N 1 3 315.527 2.003 20 0 DEADHO C[C@@H](Cc1cccnc1)N[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001258619552 1144025905 /nfs/dbraw/zinc/02/59/05/1144025905.db2.gz RSAAMLKJUQJQOY-MAUKXSAKSA-N 1 3 303.450 2.103 20 0 DEADHO C[C@@H](Cc1cccnc1)N[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001258619552 1144025909 /nfs/dbraw/zinc/02/59/09/1144025909.db2.gz RSAAMLKJUQJQOY-MAUKXSAKSA-N 1 3 303.450 2.103 20 0 DEADHO CN1CCC[C@H]1CC[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC001258638349 1144029636 /nfs/dbraw/zinc/02/96/36/1144029636.db2.gz HDPKLXJLBMAMPI-SFHVURJKSA-N 1 3 315.461 2.365 20 0 DEADHO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]CC[C@H](C)N(C)C)c1 ZINC001262565200 1144319450 /nfs/dbraw/zinc/31/94/50/1144319450.db2.gz FTCBXCOAONFALN-UONOGXRCSA-N 1 3 314.857 2.318 20 0 DEADHO C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@H]1CC[NH2+]CCC1CC1 ZINC001263955513 1144431903 /nfs/dbraw/zinc/43/19/03/1144431903.db2.gz MDZILEFKCMTBFJ-YOEHRIQHSA-N 1 3 318.465 2.359 20 0 DEADHO CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001264651428 1144585013 /nfs/dbraw/zinc/58/50/13/1144585013.db2.gz CLFGDZJASJCSCK-KURKYZTESA-N 1 3 321.509 2.299 20 0 DEADHO CCCCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001264651428 1144585015 /nfs/dbraw/zinc/58/50/15/1144585015.db2.gz CLFGDZJASJCSCK-KURKYZTESA-N 1 3 321.509 2.299 20 0 DEADHO CN1CCC[C@H]1C(=O)NCCC[N@H+](C)C/C=C\c1ccccc1 ZINC001264970545 1144614533 /nfs/dbraw/zinc/61/45/33/1144614533.db2.gz ZXFOTFNZKNBVSV-SNMSSPIJSA-N 1 3 315.461 2.232 20 0 DEADHO CN1CCC[C@H]1C(=O)NCCC[N@@H+](C)C/C=C\c1ccccc1 ZINC001264970545 1144614539 /nfs/dbraw/zinc/61/45/39/1144614539.db2.gz ZXFOTFNZKNBVSV-SNMSSPIJSA-N 1 3 315.461 2.232 20 0 DEADHO CN1CCC[C@@H]1C(=O)NCCC[N@H+](C)C/C=C\c1ccccc1 ZINC001264970542 1144614741 /nfs/dbraw/zinc/61/47/41/1144614741.db2.gz ZXFOTFNZKNBVSV-HJLMUGLJSA-N 1 3 315.461 2.232 20 0 DEADHO CN1CCC[C@@H]1C(=O)NCCC[N@@H+](C)C/C=C\c1ccccc1 ZINC001264970542 1144614746 /nfs/dbraw/zinc/61/47/46/1144614746.db2.gz ZXFOTFNZKNBVSV-HJLMUGLJSA-N 1 3 315.461 2.232 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCCc2ccsc2)C1)N(C)C ZINC001265446187 1144704648 /nfs/dbraw/zinc/70/46/48/1144704648.db2.gz AGBCCUYQWTTZSH-HOTGVXAUSA-N 1 3 323.506 2.211 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1)N(C)C ZINC001265557794 1144712004 /nfs/dbraw/zinc/71/20/04/1144712004.db2.gz FQLSDQXABZVRRR-BBWFWOEESA-N 1 3 307.482 2.454 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH2+]C/C=C/Cl)C1)N(C)C ZINC001265633601 1144719822 /nfs/dbraw/zinc/71/98/22/1144719822.db2.gz ZQFFBSDXYPHQGZ-VKGGURKZSA-N 1 3 315.889 2.153 20 0 DEADHO CC(C)=CC[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001265673620 1144725931 /nfs/dbraw/zinc/72/59/31/1144725931.db2.gz JDOJFJOJBWCSIW-KRWDZBQOSA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[NH2+]C/C=C/Cl ZINC001281897234 1144918873 /nfs/dbraw/zinc/91/88/73/1144918873.db2.gz HFHFGWXWIZRBNK-OWNNVSBGSA-N 1 3 301.862 2.050 20 0 DEADHO OC1(C[NH+]2CCCCC2)CCN(C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1 ZINC001364520773 1145314489 /nfs/dbraw/zinc/31/44/89/1145314489.db2.gz FMABWYMUUKWLCA-OKZBNKHCSA-N 1 3 322.493 2.257 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H](C)[C@H](C[NH2+]CC3CC3)C2)CC1 ZINC001364635833 1145393055 /nfs/dbraw/zinc/39/30/55/1145393055.db2.gz PZTVHNUGHBLBJJ-SJLPKXTDSA-N 1 3 321.509 2.203 20 0 DEADHO Cc1nccn1CC[N@@H+]1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001364738461 1145527599 /nfs/dbraw/zinc/52/75/99/1145527599.db2.gz QRXPTMXRKANWTJ-MOPGFXCFSA-N 1 3 310.445 2.398 20 0 DEADHO Cc1nccn1CC[N@H+]1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001364738461 1145527610 /nfs/dbraw/zinc/52/76/10/1145527610.db2.gz QRXPTMXRKANWTJ-MOPGFXCFSA-N 1 3 310.445 2.398 20 0 DEADHO CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC001283878947 1145683598 /nfs/dbraw/zinc/68/35/98/1145683598.db2.gz ADCVKEVNQYJZGL-QRBHQTINSA-N 1 3 307.482 2.406 20 0 DEADHO COc1cc(C)c(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)cc1OC ZINC001364931441 1145688761 /nfs/dbraw/zinc/68/87/61/1145688761.db2.gz JUIHKPPTBFIHHU-FVQBIDKESA-N 1 3 304.434 2.442 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001365111301 1145803822 /nfs/dbraw/zinc/80/38/22/1145803822.db2.gz OIMUYAOCBXWXLK-IRXDYDNUSA-N 1 3 322.497 2.034 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001365111301 1145803823 /nfs/dbraw/zinc/80/38/23/1145803823.db2.gz OIMUYAOCBXWXLK-IRXDYDNUSA-N 1 3 322.497 2.034 20 0 DEADHO COc1ccc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)cc1F ZINC001365366293 1145860355 /nfs/dbraw/zinc/86/03/55/1145860355.db2.gz YPFVPXIFWVWMRQ-IRXDYDNUSA-N 1 3 322.424 2.302 20 0 DEADHO CC/C=C/CC[N@H+]1CC=C(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001284957476 1145992744 /nfs/dbraw/zinc/99/27/44/1145992744.db2.gz KQHCNTBHKQUWGI-BDUNBXCCSA-N 1 3 319.493 2.433 20 0 DEADHO CC/C=C/CC[N@@H+]1CC=C(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001284957476 1145992752 /nfs/dbraw/zinc/99/27/52/1145992752.db2.gz KQHCNTBHKQUWGI-BDUNBXCCSA-N 1 3 319.493 2.433 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C[C@@H]1CCN1CC1CCC1)[NH+]1CCCC1 ZINC001365803251 1146014322 /nfs/dbraw/zinc/01/43/22/1146014322.db2.gz KETFVGPEBAZXCV-ZWKOTPCHSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1)N(C)C ZINC001365818478 1146019410 /nfs/dbraw/zinc/01/94/10/1146019410.db2.gz JFGQXCXTVOGUGI-OWCLPIDISA-N 1 3 323.506 2.319 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCCF)C1 ZINC001491964800 1147023137 /nfs/dbraw/zinc/02/31/37/1147023137.db2.gz BNAZOWJFMXRHHC-HZPDHXFCSA-N 1 3 313.461 2.143 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCCF)C1 ZINC001491964800 1147023139 /nfs/dbraw/zinc/02/31/39/1147023139.db2.gz BNAZOWJFMXRHHC-HZPDHXFCSA-N 1 3 313.461 2.143 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001366122684 1147066102 /nfs/dbraw/zinc/06/61/02/1147066102.db2.gz GFUJFZCUDSCLBJ-KZNAEPCWSA-N 1 3 317.477 2.318 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C1)N(C)C ZINC001366159023 1147084122 /nfs/dbraw/zinc/08/41/22/1147084122.db2.gz JUIJNEDJVSDSFT-VZEFYGNVSA-N 1 3 321.440 2.464 20 0 DEADHO CCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001366224844 1147130581 /nfs/dbraw/zinc/13/05/81/1147130581.db2.gz HJBISLJGXIEHGP-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001366224844 1147130594 /nfs/dbraw/zinc/13/05/94/1147130594.db2.gz HJBISLJGXIEHGP-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCC(C)CC3)C[C@H]21)N(C)C ZINC001366236742 1147144841 /nfs/dbraw/zinc/14/48/41/1147144841.db2.gz JASCHATVKQQEEQ-IMGJYBRMSA-N 1 3 321.509 2.199 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCC(C)CC3)C[C@H]21)N(C)C ZINC001366236742 1147144856 /nfs/dbraw/zinc/14/48/56/1147144856.db2.gz JASCHATVKQQEEQ-IMGJYBRMSA-N 1 3 321.509 2.199 20 0 DEADHO C[C@H](C(=O)N1CC[C@H](NC/C=C\Cl)C1)[NH+]1CCCCCC1 ZINC001366385019 1147245737 /nfs/dbraw/zinc/24/57/37/1147245737.db2.gz JSNRZXCJNROGDW-XCRGBYMUSA-N 1 3 313.873 2.194 20 0 DEADHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CCC1CCCC1 ZINC001366488459 1147307309 /nfs/dbraw/zinc/30/73/09/1147307309.db2.gz QSCBJMRGVMDJFQ-HOTGVXAUSA-N 1 3 309.498 2.393 20 0 DEADHO CCN(CCNC(=O)CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC001366631261 1147417155 /nfs/dbraw/zinc/41/71/55/1147417155.db2.gz MYCMPNAIRNHFLQ-UHFFFAOYSA-N 1 3 311.857 2.230 20 0 DEADHO C[C@H](c1cccc(F)c1)N(CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001366750894 1147538231 /nfs/dbraw/zinc/53/82/31/1147538231.db2.gz JPLLYEIQPMLANB-CQSZACIVSA-N 1 3 321.440 2.419 20 0 DEADHO CC[N@H+](CCCNC(=O)[C@H]1CCCN1C)Cc1csc(C)c1 ZINC001316886539 1147568434 /nfs/dbraw/zinc/56/84/34/1147568434.db2.gz GEIKZUDFGUIBIQ-MRXNPFEDSA-N 1 3 323.506 2.479 20 0 DEADHO CC[N@@H+](CCCNC(=O)[C@H]1CCCN1C)Cc1csc(C)c1 ZINC001316886539 1147568436 /nfs/dbraw/zinc/56/84/36/1147568436.db2.gz GEIKZUDFGUIBIQ-MRXNPFEDSA-N 1 3 323.506 2.479 20 0 DEADHO CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001316715241 1147591623 /nfs/dbraw/zinc/59/16/23/1147591623.db2.gz UZTUSNMXAKTIEE-GVDBMIGSSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)=CCN1CCC[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001316944120 1147636110 /nfs/dbraw/zinc/63/61/10/1147636110.db2.gz NYYRTDQODQBGLC-SJORKVTESA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)=CCN1CCC[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001316944120 1147636113 /nfs/dbraw/zinc/63/61/13/1147636113.db2.gz NYYRTDQODQBGLC-SJORKVTESA-N 1 3 307.482 2.408 20 0 DEADHO CC[C@H](CNC(=O)[C@@H]1CCCN1C(C)C)[NH2+]C/C=C\Cl ZINC001367097564 1147649387 /nfs/dbraw/zinc/64/93/87/1147649387.db2.gz DMGKMEHDUUIQQI-APMKWMSLSA-N 1 3 301.862 2.096 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccsc1 ZINC001367242415 1147668338 /nfs/dbraw/zinc/66/83/38/1147668338.db2.gz JISXMVJSJDWQGK-HOCLYGCPSA-N 1 3 323.506 2.463 20 0 DEADHO CC(C)C[NH2+][C@H](C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001480791804 1147680225 /nfs/dbraw/zinc/68/02/25/1147680225.db2.gz CMCNRHFRFTXQJJ-PBHICJAKSA-N 1 3 315.477 2.339 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccccc1)N(C)C ZINC001367400034 1147689170 /nfs/dbraw/zinc/68/91/70/1147689170.db2.gz LLLGLWAWHDORHD-WBVHZDCISA-N 1 3 305.466 2.209 20 0 DEADHO CC(C)CC[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001317335046 1147692242 /nfs/dbraw/zinc/69/22/42/1147692242.db2.gz BZJXFHIQENRPCH-QGZVFWFLSA-N 1 3 309.498 2.203 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@H](C[NH2+]CCCC2CCCC2)C1 ZINC001317341243 1147693213 /nfs/dbraw/zinc/69/32/13/1147693213.db2.gz SMSWFRYRBFRMHL-MRXNPFEDSA-N 1 3 318.465 2.361 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC(CCN(C)CCF)CC1)[NH+](C)C ZINC001367452075 1147695708 /nfs/dbraw/zinc/69/57/08/1147695708.db2.gz TWIARRGGKBAULD-MRXNPFEDSA-N 1 3 315.477 2.103 20 0 DEADHO CC(C)[C@H](CNC(=O)CC[NH+](C)C)NCc1ccccc1F ZINC001367484863 1147700816 /nfs/dbraw/zinc/70/08/16/1147700816.db2.gz WQQQUPWAPCJAJY-INIZCTEOSA-N 1 3 309.429 2.008 20 0 DEADHO CC[C@H](C(=O)N(C)CC[N@H+](C)CCc1cccs1)N(C)C ZINC001367522787 1147708440 /nfs/dbraw/zinc/70/84/40/1147708440.db2.gz KUPSELIQAGTUKH-OAHLLOKOSA-N 1 3 311.495 2.021 20 0 DEADHO CC[C@H](C(=O)N(C)CC[N@@H+](C)CCc1cccs1)N(C)C ZINC001367522787 1147708441 /nfs/dbraw/zinc/70/84/41/1147708441.db2.gz KUPSELIQAGTUKH-OAHLLOKOSA-N 1 3 311.495 2.021 20 0 DEADHO Cc1ccc(F)c(CNC[C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001367708563 1147730543 /nfs/dbraw/zinc/73/05/43/1147730543.db2.gz XRJVSYZTPUBZGT-CABCVRRESA-N 1 3 321.440 2.070 20 0 DEADHO Cc1ccc(F)c(CNC[C@@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001367708563 1147730545 /nfs/dbraw/zinc/73/05/45/1147730545.db2.gz XRJVSYZTPUBZGT-CABCVRRESA-N 1 3 321.440 2.070 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]CC1CCC(F)(F)CC1 ZINC001367765509 1147739576 /nfs/dbraw/zinc/73/95/76/1147739576.db2.gz AKMQLMIFAHZGCA-ZDUSSCGKSA-N 1 3 319.440 2.248 20 0 DEADHO C[C@@H](CNCc1cncs1)NC(=O)CCC[NH+]1CCCCC1 ZINC001367770850 1147740715 /nfs/dbraw/zinc/74/07/15/1147740715.db2.gz JRFRCNUKUHAZNZ-AWEZNQCLSA-N 1 3 324.494 2.004 20 0 DEADHO CN(C)C1(C(=O)N[C@H](C[NH2+]Cc2ccccc2)C2CC2)CCC1 ZINC001367894300 1147767024 /nfs/dbraw/zinc/76/70/24/1147767024.db2.gz GCKKDYNCQXWCSX-QGZVFWFLSA-N 1 3 315.461 2.155 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001368040909 1147838990 /nfs/dbraw/zinc/83/89/90/1147838990.db2.gz BWXISDYJGDPYQZ-MSOLQXFVSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001368040909 1147838991 /nfs/dbraw/zinc/83/89/91/1147838991.db2.gz BWXISDYJGDPYQZ-MSOLQXFVSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)CC[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001325523938 1147934522 /nfs/dbraw/zinc/93/45/22/1147934522.db2.gz BTVBQHSZVMFTPM-HOTGVXAUSA-N 1 3 309.498 2.201 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H](CC[NH2+]C/C=C/Cl)C2)CCC1 ZINC001326288945 1148070828 /nfs/dbraw/zinc/07/08/28/1148070828.db2.gz PNXJKQCYYAUERT-CEOUIICOSA-N 1 3 313.873 2.051 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H](CC[NH2+]CCC3CC3)C2)CC1 ZINC001326398088 1148092115 /nfs/dbraw/zinc/09/21/15/1148092115.db2.gz LMQGFKRAVZSPNR-SFHVURJKSA-N 1 3 321.509 2.347 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]Cc2ccsc2)C1)N(C)C ZINC001326410563 1148094701 /nfs/dbraw/zinc/09/47/01/1148094701.db2.gz AFRCJWQIEQZPPX-HOCLYGCPSA-N 1 3 323.506 2.417 20 0 DEADHO C[C@@]1(NC(=O)C[NH+]2CCCC2)CCN(Cc2ccc(F)cc2)C1 ZINC001368169137 1148301899 /nfs/dbraw/zinc/30/18/99/1148301899.db2.gz KLSOGOXMFGEEIY-GOSISDBHSA-N 1 3 319.424 2.002 20 0 DEADHO C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000113456171 282135054 /nfs/dbraw/zinc/13/50/54/282135054.db2.gz AIXJXRWVJRYHEB-MSOLQXFVSA-N 1 3 315.461 2.061 20 0 DEADHO C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000431818578 282135326 /nfs/dbraw/zinc/13/53/26/282135326.db2.gz RPFWSWVNOHORDB-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N[C@]1(C)CC[NH2+]C1)c1ccccc1 ZINC000612861825 361933772 /nfs/dbraw/zinc/93/37/72/361933772.db2.gz CZGOBBSWDNLDME-SJLPKXTDSA-N 1 3 318.465 2.121 20 0 DEADHO CC[C@@H]([NH3+])CNC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000418229640 529561767 /nfs/dbraw/zinc/56/17/67/529561767.db2.gz HQXLPVMYKIKTAR-UKRRQHHQSA-N 1 3 324.494 2.048 20 0 DEADHO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H](CC(C)C)CN2CCCC2)C1 ZINC000418238029 290682971 /nfs/dbraw/zinc/68/29/71/290682971.db2.gz OQYDLLMCYHFGEH-IRXDYDNUSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H]1CCC[C@@H](C[NH+]2CCC(C(=O)NCCN(C)C)CC2)C1 ZINC000092803418 185342557 /nfs/dbraw/zinc/34/25/57/185342557.db2.gz RQPZRJAJUPVIDK-JKSUJKDBSA-N 1 3 309.498 2.203 20 0 DEADHO C[NH2+]CCC(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000423755247 529959293 /nfs/dbraw/zinc/95/92/93/529959293.db2.gz JKEWGNQDKDJEHE-UHFFFAOYSA-N 1 3 323.868 2.374 20 0 DEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NCCC1CC[NH+](C)CC1 ZINC000447963949 530048836 /nfs/dbraw/zinc/04/88/36/530048836.db2.gz PAXRNBKBSJUICY-MRXNPFEDSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)C1CCN(C)CC1 ZINC000090465411 539416282 /nfs/dbraw/zinc/41/62/82/539416282.db2.gz LFYWOTGVSVQBCW-RHSMWYFYSA-N 1 3 307.482 2.240 20 0 DEADHO COc1cccc(OC)c1CNCCCC[N@@H+]1CCC[C@@H]1CO ZINC000286759295 219151491 /nfs/dbraw/zinc/15/14/91/219151491.db2.gz ZGALCADQHLTAIO-OAHLLOKOSA-N 1 3 322.449 2.030 20 0 DEADHO COc1cccc(OC)c1CNCCCC[N@H+]1CCC[C@@H]1CO ZINC000286759295 219151494 /nfs/dbraw/zinc/15/14/94/219151494.db2.gz ZGALCADQHLTAIO-OAHLLOKOSA-N 1 3 322.449 2.030 20 0 DEADHO C[C@@H](N[C@@H]1CCN(c2ccccc2)C1=O)C1CC[NH+](C)CC1 ZINC000129097660 539488395 /nfs/dbraw/zinc/48/83/95/539488395.db2.gz BLLRBYKUAVSHLC-RHSMWYFYSA-N 1 3 301.434 2.112 20 0 DEADHO CN1CCC[C@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])[C@@H]1c1cccs1 ZINC000237124333 539742989 /nfs/dbraw/zinc/74/29/89/539742989.db2.gz GCFJCWGKZNNELG-HGTKMLMNSA-N 1 3 321.490 2.375 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000155737374 186108408 /nfs/dbraw/zinc/10/84/08/186108408.db2.gz HTJFYUMOCGEYRD-BBRMVZONSA-N 1 3 307.438 2.329 20 0 DEADHO CC(C)(C)[C@H](N)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000164163974 186150341 /nfs/dbraw/zinc/15/03/41/186150341.db2.gz RUNOGDPFWZSCMV-MRXNPFEDSA-N 1 3 303.450 2.272 20 0 DEADHO CC(C)(C)[C@H](N)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000164362773 186157374 /nfs/dbraw/zinc/15/73/74/186157374.db2.gz WMIWADQXVYPZLO-DZGCQCFKSA-N 1 3 323.506 2.450 20 0 DEADHO CC(C)(C)[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000164362773 186157375 /nfs/dbraw/zinc/15/73/75/186157375.db2.gz WMIWADQXVYPZLO-DZGCQCFKSA-N 1 3 323.506 2.450 20 0 DEADHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)C[C@H](O)COC(C)C ZINC000626062191 366032533 /nfs/dbraw/zinc/03/25/33/366032533.db2.gz KWCCFLXRPLPPKD-SFHVURJKSA-N 1 3 308.466 2.356 20 0 DEADHO CC[N@H+](Cc1ccc(CN(C)C)cc1)C[C@H](O)COC(C)C ZINC000626062191 366032539 /nfs/dbraw/zinc/03/25/39/366032539.db2.gz KWCCFLXRPLPPKD-SFHVURJKSA-N 1 3 308.466 2.356 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000617348078 363102728 /nfs/dbraw/zinc/10/27/28/363102728.db2.gz ZJRYYBFKJVHVRN-HOCLYGCPSA-N 1 3 307.482 2.382 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000617348078 363102729 /nfs/dbraw/zinc/10/27/29/363102729.db2.gz ZJRYYBFKJVHVRN-HOCLYGCPSA-N 1 3 307.482 2.382 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N1CC[C@@H](N2CCCC2)C1)C(C)C ZINC000072517571 191186343 /nfs/dbraw/zinc/18/63/43/191186343.db2.gz MZXSJVNCNUPULU-QGZVFWFLSA-N 1 3 324.513 2.375 20 0 DEADHO OC[C@H]1CCCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000305178002 539868520 /nfs/dbraw/zinc/86/85/20/539868520.db2.gz GUSVGUVSPYMYTQ-SFHVURJKSA-N 1 3 318.461 2.366 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000449111906 535187721 /nfs/dbraw/zinc/18/77/21/535187721.db2.gz ATDOARISYYOKOI-OAHLLOKOSA-N 1 3 305.466 2.485 20 0 DEADHO CN(C)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000339071404 539985560 /nfs/dbraw/zinc/98/55/60/539985560.db2.gz QYOLTCKHPWMOGQ-QYZOEREBSA-N 1 3 301.478 2.376 20 0 DEADHO CN(C)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000339071404 539985564 /nfs/dbraw/zinc/98/55/64/539985564.db2.gz QYOLTCKHPWMOGQ-QYZOEREBSA-N 1 3 301.478 2.376 20 0 DEADHO CC(=O)Nc1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339068538 539986100 /nfs/dbraw/zinc/98/61/00/539986100.db2.gz QZYLOIRNSICYLS-MSOLQXFVSA-N 1 3 301.434 2.404 20 0 DEADHO CC(=O)Nc1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339068538 539986104 /nfs/dbraw/zinc/98/61/04/539986104.db2.gz QZYLOIRNSICYLS-MSOLQXFVSA-N 1 3 301.434 2.404 20 0 DEADHO C[NH+]1CCC(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000174453735 198336920 /nfs/dbraw/zinc/33/69/20/198336920.db2.gz MWSZJDLGJHTJSM-OAHLLOKOSA-N 1 3 321.490 2.343 20 0 DEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2CC[C@H]2C2CC2)cc1 ZINC000348388652 540021706 /nfs/dbraw/zinc/02/17/06/540021706.db2.gz KLKDPAXOUPWPME-ROUUACIJSA-N 1 3 315.461 2.256 20 0 DEADHO C[C@@H](C[NH+](C)C)NC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000355824395 295884009 /nfs/dbraw/zinc/88/40/09/295884009.db2.gz YSDKSGRJRWCQNJ-INIZCTEOSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@H](C(=O)NCCC[NH+]1CCC(C)CC1)N1CCCCCC1 ZINC000074187034 355012946 /nfs/dbraw/zinc/01/29/46/355012946.db2.gz RZWPZOWVGQRCGV-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H](C(=O)NC[C@H](C)C[NH+]1CCCCC1)N1CCCCCC1 ZINC000074225642 355015642 /nfs/dbraw/zinc/01/56/42/355015642.db2.gz QYWNXAUSFKKVHR-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO C[NH+]1CCC(O)(CNCc2cc(C(F)(F)F)ccc2F)CC1 ZINC000077450257 355205697 /nfs/dbraw/zinc/20/56/97/355205697.db2.gz UKJLHNUABMRFTC-UHFFFAOYSA-N 1 3 320.330 2.391 20 0 DEADHO C[C@H](NC1CC1)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382713805 540123716 /nfs/dbraw/zinc/12/37/16/540123716.db2.gz YBVVSNHGIVNXCQ-DOTOQJQBSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@H](NC1CC1)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382713805 540123719 /nfs/dbraw/zinc/12/37/19/540123719.db2.gz YBVVSNHGIVNXCQ-DOTOQJQBSA-N 1 3 315.461 2.107 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000079097270 355296389 /nfs/dbraw/zinc/29/63/89/355296389.db2.gz ZULCISUJKWUPMN-INIZCTEOSA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000079944969 355337511 /nfs/dbraw/zinc/33/75/11/355337511.db2.gz SSYHTMABHPSYIY-SJLPKXTDSA-N 1 3 317.477 2.496 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000079944969 355337514 /nfs/dbraw/zinc/33/75/14/355337514.db2.gz SSYHTMABHPSYIY-SJLPKXTDSA-N 1 3 317.477 2.496 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414931091 540157738 /nfs/dbraw/zinc/15/77/38/540157738.db2.gz UCCFPMMTDJJIJX-KCQAQPDRSA-N 1 3 305.422 2.272 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@H](N)C2)cc1 ZINC000414931091 540157742 /nfs/dbraw/zinc/15/77/42/540157742.db2.gz UCCFPMMTDJJIJX-KCQAQPDRSA-N 1 3 305.422 2.272 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415572762 540160792 /nfs/dbraw/zinc/16/07/92/540160792.db2.gz NMXDYBFQQLTDAU-CABCVRRESA-N 1 3 304.438 2.182 20 0 DEADHO C[C@@H](O)CCN(C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000093481574 355683926 /nfs/dbraw/zinc/68/39/26/355683926.db2.gz BCLAEJZBDMDZAD-MRXNPFEDSA-N 1 3 319.493 2.420 20 0 DEADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2scnc2C2CC2)CC1 ZINC000487313755 540211963 /nfs/dbraw/zinc/21/19/63/540211963.db2.gz BLHZIRZVHLWWFR-AWEZNQCLSA-N 1 3 322.522 2.384 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000182682066 356139672 /nfs/dbraw/zinc/13/96/72/356139672.db2.gz GBFCALHVLFXQSJ-INIZCTEOSA-N 1 3 312.502 2.233 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000184836903 356198477 /nfs/dbraw/zinc/19/84/77/356198477.db2.gz DZIOWZPZFNSSHO-SJORKVTESA-N 1 3 324.513 2.425 20 0 DEADHO CC(C)COC[C@H](O)CN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185662390 356209358 /nfs/dbraw/zinc/20/93/58/356209358.db2.gz KVOHDQCEFXTVIC-JFIYKMOQSA-N 1 3 312.498 2.263 20 0 DEADHO CC(C)COC[C@H](O)CN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185662390 356209360 /nfs/dbraw/zinc/20/93/60/356209360.db2.gz KVOHDQCEFXTVIC-JFIYKMOQSA-N 1 3 312.498 2.263 20 0 DEADHO CC(C)COC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185662390 356209362 /nfs/dbraw/zinc/20/93/62/356209362.db2.gz KVOHDQCEFXTVIC-JFIYKMOQSA-N 1 3 312.498 2.263 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)[C@H](C)[NH3+] ZINC000399358372 283151896 /nfs/dbraw/zinc/15/18/96/283151896.db2.gz GLYWBFMFSLMAGH-ATLSCFEFSA-N 1 3 317.477 2.243 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000320813877 356447092 /nfs/dbraw/zinc/44/70/92/356447092.db2.gz LJEDVSUVNIKQMD-CQSZACIVSA-N 1 3 317.433 2.085 20 0 DEADHO CN(C)CCOc1cccc(NC(=O)CC[C@@H]2CCC[NH2+]C2)c1 ZINC000320828307 356447149 /nfs/dbraw/zinc/44/71/49/356447149.db2.gz NGLBTJLODRVCDG-HNNXBMFYSA-N 1 3 319.449 2.345 20 0 DEADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)CCC[NH2+]C ZINC000236894934 202058315 /nfs/dbraw/zinc/05/83/15/202058315.db2.gz NGGNZCDVURAPKD-GOSISDBHSA-N 1 3 317.477 2.357 20 0 DEADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCCN(C)C2CC2)C1 ZINC000352666276 291114416 /nfs/dbraw/zinc/11/44/16/291114416.db2.gz VHPRDMKGWQTFHT-HOTGVXAUSA-N 1 3 324.513 2.138 20 0 DEADHO Cc1ccc(NC(=O)[C@H]2CC23CC[NH2+]CC3)c(CN(C)C)c1 ZINC000237037281 202131204 /nfs/dbraw/zinc/13/12/04/202131204.db2.gz ZAGQKYBBPLANLU-OAHLLOKOSA-N 1 3 301.434 2.385 20 0 DEADHO CC[NH+]1CCC(NC[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000387445189 356703886 /nfs/dbraw/zinc/70/38/86/356703886.db2.gz SXLAXDYTWQHKAR-OAHLLOKOSA-N 1 3 312.841 2.154 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000368405635 283211754 /nfs/dbraw/zinc/21/17/54/283211754.db2.gz ZQYIJJNDWPSPTK-IRXDYDNUSA-N 1 3 324.513 2.234 20 0 DEADHO C[NH2+]CCCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000237118332 202159081 /nfs/dbraw/zinc/15/90/81/202159081.db2.gz VVVKQIISVOSTLS-WMZOPIPTSA-N 1 3 317.477 2.498 20 0 DEADHO CCN(CC[NH3+])C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000626933054 366366029 /nfs/dbraw/zinc/36/60/29/366366029.db2.gz GCASXKCDJWQWQR-AWEZNQCLSA-N 1 3 312.483 2.121 20 0 DEADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)C(C)(C)C ZINC000237241909 202202283 /nfs/dbraw/zinc/20/22/83/202202283.db2.gz IXQOHUNIKVXQNU-IAGOWNOFSA-N 1 3 317.477 2.340 20 0 DEADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)C(C)(C)C ZINC000237241909 202202285 /nfs/dbraw/zinc/20/22/85/202202285.db2.gz IXQOHUNIKVXQNU-IAGOWNOFSA-N 1 3 317.477 2.340 20 0 DEADHO CC(C)CN1CCC([NH2+]CCC(=O)Nc2cccnc2)CC1 ZINC000579827258 357037270 /nfs/dbraw/zinc/03/72/70/357037270.db2.gz KHZKCBLWHDEWSK-UHFFFAOYSA-N 1 3 304.438 2.120 20 0 DEADHO [NH3+]C[C@@H]1CN(Cc2ccnc3ccccc23)CC12CCOCC2 ZINC000579717643 357020278 /nfs/dbraw/zinc/02/02/78/357020278.db2.gz FYGYQNQGMSIJKY-MRXNPFEDSA-N 1 3 311.429 2.422 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418707678 283238346 /nfs/dbraw/zinc/23/83/46/283238346.db2.gz BWWNZJNFIYJDLB-JKSUJKDBSA-N 1 3 310.486 2.021 20 0 DEADHO CCCN1CCN(c2ccccc2CN2CC[C@H]([NH2+]C)C2)CC1 ZINC000435391599 283261398 /nfs/dbraw/zinc/26/13/98/283261398.db2.gz XDCYFCMGNUTVJF-SFHVURJKSA-N 1 3 316.493 2.012 20 0 DEADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C2(N)CCC2)CC1 ZINC000449347204 283274746 /nfs/dbraw/zinc/27/47/46/283274746.db2.gz GOZXQLPWCPIXPU-AWEZNQCLSA-N 1 3 301.434 2.210 20 0 DEADHO COC(=O)c1ccc(Cl)c(CN[C@H]2CC23CC[NH2+]CC3)c1 ZINC000591281616 357699170 /nfs/dbraw/zinc/69/91/70/357699170.db2.gz FHZFZCAKGBKLAQ-AWEZNQCLSA-N 1 3 308.809 2.358 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@@H](C)N(C)C2CC2)CC1 ZINC000591616506 357743987 /nfs/dbraw/zinc/74/39/87/357743987.db2.gz QFWKEYHIDPHPPF-OAHLLOKOSA-N 1 3 324.513 2.231 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@@H](C)N(C)C2CC2)CC1 ZINC000591616506 357743992 /nfs/dbraw/zinc/74/39/92/357743992.db2.gz QFWKEYHIDPHPPF-OAHLLOKOSA-N 1 3 324.513 2.231 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc3nccn32)C[C@@H](C)O1 ZINC000179596787 199061044 /nfs/dbraw/zinc/06/10/44/199061044.db2.gz OTACPXXHLBIZTM-HZPDHXFCSA-N 1 3 316.449 2.313 20 0 DEADHO CCC[N@@H+]1CC[C@H](NC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC000666924714 540363878 /nfs/dbraw/zinc/36/38/78/540363878.db2.gz KRGWIEZIIRSYAO-INIZCTEOSA-N 1 3 322.497 2.131 20 0 DEADHO CCC[N@H+]1CC[C@H](NC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC000666924714 540363882 /nfs/dbraw/zinc/36/38/82/540363882.db2.gz KRGWIEZIIRSYAO-INIZCTEOSA-N 1 3 322.497 2.131 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000666928378 540365149 /nfs/dbraw/zinc/36/51/49/540365149.db2.gz KKXUYHMDNRWZHG-INIZCTEOSA-N 1 3 310.486 2.082 20 0 DEADHO COCCOCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180113628 199118634 /nfs/dbraw/zinc/11/86/34/199118634.db2.gz TUFBPYYNNQNIKJ-YQQQUEKLSA-N 1 3 318.461 2.435 20 0 DEADHO COCCOCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180113628 199118636 /nfs/dbraw/zinc/11/86/36/199118636.db2.gz TUFBPYYNNQNIKJ-YQQQUEKLSA-N 1 3 318.461 2.435 20 0 DEADHO NCc1cn([C@@H]2CCC[N@H+](Cc3coc4ccccc34)C2)nn1 ZINC000667040524 540384634 /nfs/dbraw/zinc/38/46/34/540384634.db2.gz YZGPJWFNQAPSDO-OAHLLOKOSA-N 1 3 311.389 2.320 20 0 DEADHO NCc1cn([C@@H]2CCC[N@@H+](Cc3coc4ccccc34)C2)nn1 ZINC000667040524 540384636 /nfs/dbraw/zinc/38/46/36/540384636.db2.gz YZGPJWFNQAPSDO-OAHLLOKOSA-N 1 3 311.389 2.320 20 0 DEADHO CCN(CC[NH3+])C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000626994478 366396017 /nfs/dbraw/zinc/39/60/17/366396017.db2.gz FPRCTSDVBDQSIG-DOTOQJQBSA-N 1 3 318.465 2.030 20 0 DEADHO CCC[NH2+]CCNC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000416841701 283388702 /nfs/dbraw/zinc/38/87/02/283388702.db2.gz MKAWGWIOHZAMAT-QGZVFWFLSA-N 1 3 320.481 2.151 20 0 DEADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000667779178 540524714 /nfs/dbraw/zinc/52/47/14/540524714.db2.gz KAOMZAWOEYUZIO-MRXNPFEDSA-N 1 3 316.449 2.402 20 0 DEADHO C[C@@H](CNC(=O)C[C@@H](N)c1ccccc1)C[NH+]1CCCCC1 ZINC000237551236 202279799 /nfs/dbraw/zinc/27/97/99/202279799.db2.gz LLZHRZNJJJWWST-DOTOQJQBSA-N 1 3 303.450 2.315 20 0 DEADHO C[C@@]1(C(=O)NC2CCN(Cc3ccccc3)CC2)CCCC[NH2+]1 ZINC000237571740 202288076 /nfs/dbraw/zinc/28/80/76/202288076.db2.gz ABRWAZJKNITBCE-IBGZPJMESA-N 1 3 315.461 2.299 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000237590245 202294683 /nfs/dbraw/zinc/29/46/83/202294683.db2.gz QTTMZIWJRHKUIY-VDHUWJSZSA-N 1 3 315.461 2.283 20 0 DEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)[C@@H](N)Cc2ccccc2)C1 ZINC000237721191 202338309 /nfs/dbraw/zinc/33/83/09/202338309.db2.gz JETCXJWTGVRWAT-WMZOPIPTSA-N 1 3 317.477 2.185 20 0 DEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@@H](N)Cc2ccccc2)C1 ZINC000237721191 202338313 /nfs/dbraw/zinc/33/83/13/202338313.db2.gz JETCXJWTGVRWAT-WMZOPIPTSA-N 1 3 317.477 2.185 20 0 DEADHO Oc1ccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000668490412 540672637 /nfs/dbraw/zinc/67/26/37/540672637.db2.gz RENSMZVHIUCFCP-LJQANCHMSA-N 1 3 312.413 2.249 20 0 DEADHO Oc1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000668490412 540672640 /nfs/dbraw/zinc/67/26/40/540672640.db2.gz RENSMZVHIUCFCP-LJQANCHMSA-N 1 3 312.413 2.249 20 0 DEADHO [NH3+]CC1(CC(=O)NCc2ccc3c(c2)CNC3)CCCCC1 ZINC000188668096 200284106 /nfs/dbraw/zinc/28/41/06/200284106.db2.gz WZGQAYXNRSZTBN-UHFFFAOYSA-N 1 3 301.434 2.205 20 0 DEADHO C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000352389055 296005604 /nfs/dbraw/zinc/00/56/04/296005604.db2.gz ZGRXZJVFDKWWAI-YJBOKZPZSA-N 1 3 306.450 2.006 20 0 DEADHO COc1ccc(NC(=O)CC[N@H+](C)CCCN2CCCC2)cc1 ZINC000281185889 216138503 /nfs/dbraw/zinc/13/85/03/216138503.db2.gz BFEQBDZNTXBPJK-UHFFFAOYSA-N 1 3 319.449 2.442 20 0 DEADHO COc1ccc(NC(=O)CC[N@@H+](C)CCCN2CCCC2)cc1 ZINC000281185889 216138506 /nfs/dbraw/zinc/13/85/06/216138506.db2.gz BFEQBDZNTXBPJK-UHFFFAOYSA-N 1 3 319.449 2.442 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)NCC[NH2+]C1CC1)c1ccccc1 ZINC000668661129 540705636 /nfs/dbraw/zinc/70/56/36/540705636.db2.gz NQYJFDFLXPXOMK-KRWDZBQOSA-N 1 3 318.465 2.121 20 0 DEADHO CN1CCC(N2CC[C@H]([NH2+]Cc3cccc4cc[nH]c43)C2)CC1 ZINC000602278731 360329029 /nfs/dbraw/zinc/32/90/29/360329029.db2.gz ZFJMFFSYMCCHJW-KRWDZBQOSA-N 1 3 312.461 2.426 20 0 DEADHO CN(CCCNC(=O)N1CCC(C)([NH3+])CC1)Cc1ccccc1 ZINC000668809841 540735281 /nfs/dbraw/zinc/73/52/81/540735281.db2.gz BVQJTNYHFLBSHL-UHFFFAOYSA-N 1 3 318.465 2.031 20 0 DEADHO C[C@H](CNC(=O)[C@H](C)N1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000443065317 238100800 /nfs/dbraw/zinc/10/08/00/238100800.db2.gz ZORGBSNYNOWHQE-IKGGRYGDSA-N 1 3 317.477 2.356 20 0 DEADHO [NH3+]CC[C@@H]1CCCN(CC(=O)NCc2cccc(Cl)c2)C1 ZINC000443065144 238102298 /nfs/dbraw/zinc/10/22/98/238102298.db2.gz ZLMDHWDORKKTQP-ZDUSSCGKSA-N 1 3 309.841 2.017 20 0 DEADHO COc1cc(F)cc(CN(C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000449326232 240364858 /nfs/dbraw/zinc/36/48/58/240364858.db2.gz TYRMEUXWOFOIEV-UHFFFAOYSA-N 1 3 323.456 2.292 20 0 DEADHO Cc1c([C@H]2OCC[C@@H]2[NH2+]CCCN2CCCCC2)cnn1C ZINC000444632795 238219245 /nfs/dbraw/zinc/21/92/45/238219245.db2.gz HMBQCLRTFUUDQF-DLBZAZTESA-N 1 3 306.454 2.024 20 0 DEADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CCN(Cc2ccccc2)CC1 ZINC000603477976 360836453 /nfs/dbraw/zinc/83/64/53/360836453.db2.gz FEJZIZFSFCHMSZ-KRWDZBQOSA-N 1 3 315.461 2.061 20 0 DEADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CCN(Cc2ccccc2)CC1 ZINC000603477976 360836456 /nfs/dbraw/zinc/83/64/56/360836456.db2.gz FEJZIZFSFCHMSZ-KRWDZBQOSA-N 1 3 315.461 2.061 20 0 DEADHO CC[C@@H]([NH3+])CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669484041 540841977 /nfs/dbraw/zinc/84/19/77/540841977.db2.gz ZWZOGVYYMLHOQI-IAGOWNOFSA-N 1 3 318.465 2.250 20 0 DEADHO C[C@H](C[NH3+])N(C)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669484006 540842052 /nfs/dbraw/zinc/84/20/52/540842052.db2.gz YBIVRXNDUUUJNR-WBVHZDCISA-N 1 3 318.465 2.202 20 0 DEADHO C[C@H](NC(=O)NC[C@@H]1CCCC[NH2+]1)[C@@H](c1ccccc1)N(C)C ZINC000669583560 540869153 /nfs/dbraw/zinc/86/91/53/540869153.db2.gz XIDULYNRWXSNGO-XIRDDKMYSA-N 1 3 318.465 2.119 20 0 DEADHO C[C@H]1SCCN(CCN2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000420308109 291260319 /nfs/dbraw/zinc/26/03/19/291260319.db2.gz SAAIHGMSVZKCGC-WBVHZDCISA-N 1 3 305.491 2.070 20 0 DEADHO C[S@](=O)c1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000610658199 361438784 /nfs/dbraw/zinc/43/87/84/361438784.db2.gz LONMIUPLGYUXPL-NRFANRHFSA-N 1 3 306.475 2.388 20 0 DEADHO COc1ccc(-c2n[nH]cc2C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000194543269 201249093 /nfs/dbraw/zinc/24/90/93/201249093.db2.gz XEIQEBDYXOQLBV-IYBDPMFKSA-N 1 3 312.417 2.079 20 0 DEADHO COc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000194543269 201249095 /nfs/dbraw/zinc/24/90/95/201249095.db2.gz XEIQEBDYXOQLBV-IYBDPMFKSA-N 1 3 312.417 2.079 20 0 DEADHO COc1ccc(CNCC2=CC[N@H+](C)CC2)c(OC)c1OC ZINC000271858897 209274270 /nfs/dbraw/zinc/27/42/70/209274270.db2.gz VKXXIVCJGZOMTC-UHFFFAOYSA-N 1 3 306.406 2.064 20 0 DEADHO COc1ccc(CNCC2=CC[N@@H+](C)CC2)c(OC)c1OC ZINC000271858897 209274274 /nfs/dbraw/zinc/27/42/74/209274274.db2.gz VKXXIVCJGZOMTC-UHFFFAOYSA-N 1 3 306.406 2.064 20 0 DEADHO CC[C@@H](CN1CCCC1)NC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000675198854 541301866 /nfs/dbraw/zinc/30/18/66/541301866.db2.gz ZHPHWXYSUYUAMM-HOTGVXAUSA-N 1 3 310.486 2.033 20 0 DEADHO CC[C@@H](CN1CCCC1)NC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000675199970 541302332 /nfs/dbraw/zinc/30/23/32/541302332.db2.gz ORCLTUKHZUGMQG-IRXDYDNUSA-N 1 3 324.513 2.138 20 0 DEADHO CC[C@@H](CN1CCCC1)NC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000675199970 541302335 /nfs/dbraw/zinc/30/23/35/541302335.db2.gz ORCLTUKHZUGMQG-IRXDYDNUSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](C(=O)NCC1CC[NH+](CC2CC2)CC1)N1[C@H](C)CC[C@H]1C ZINC000620930889 364205331 /nfs/dbraw/zinc/20/53/31/364205331.db2.gz ZNSGDKFVTIKKOO-BZUAXINKSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)N1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000271827820 209248269 /nfs/dbraw/zinc/24/82/69/209248269.db2.gz QIEQZPZOGSCBDL-GOSISDBHSA-N 1 3 315.461 2.250 20 0 DEADHO CCCN1CCC([NH2+][C@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000675776035 541381959 /nfs/dbraw/zinc/38/19/59/541381959.db2.gz NCXMOIGTTWADQT-INIZCTEOSA-N 1 3 301.434 2.256 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@H](CC[NH3+])C2)c1 ZINC000623057136 364871295 /nfs/dbraw/zinc/87/12/95/364871295.db2.gz AYGHBAPUJHNTQX-CQSZACIVSA-N 1 3 304.438 2.341 20 0 DEADHO CC(C)N1CCC([NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000675880911 541390735 /nfs/dbraw/zinc/39/07/35/541390735.db2.gz ITMZTGGKYGGHRS-GOSISDBHSA-N 1 3 309.498 2.092 20 0 DEADHO C[C@H](Cc1ccoc1)NCc1ccncc1OCC[NH+](C)C ZINC000449329866 240370637 /nfs/dbraw/zinc/37/06/37/240370637.db2.gz QEWSAYBPURQVBB-CQSZACIVSA-N 1 3 303.406 2.336 20 0 DEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000449329288 240374124 /nfs/dbraw/zinc/37/41/24/240374124.db2.gz NDZLLVYGCRINDG-OKZBNKHCSA-N 1 3 317.477 2.183 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]CC[C@H](C)CCO)CC1 ZINC000449357884 240391690 /nfs/dbraw/zinc/39/16/90/240391690.db2.gz MKZUUKSEBHUPMW-KRWDZBQOSA-N 1 3 319.493 2.327 20 0 DEADHO CCN1C[C@H](C)[C@H](NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000623743321 365158146 /nfs/dbraw/zinc/15/81/46/365158146.db2.gz PDEKUSBIKXBRJC-USXIJHARSA-N 1 3 322.497 2.033 20 0 DEADHO CCN1C[C@H](C)[C@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000623743321 365158154 /nfs/dbraw/zinc/15/81/54/365158154.db2.gz PDEKUSBIKXBRJC-USXIJHARSA-N 1 3 322.497 2.033 20 0 DEADHO O[C@H](CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)COCc1ccccc1 ZINC000623828412 365187439 /nfs/dbraw/zinc/18/74/39/365187439.db2.gz XWYRCWYSNHQAOU-IPMKNSEASA-N 1 3 318.461 2.171 20 0 DEADHO O[C@H](CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1)COCc1ccccc1 ZINC000623828412 365187447 /nfs/dbraw/zinc/18/74/47/365187447.db2.gz XWYRCWYSNHQAOU-IPMKNSEASA-N 1 3 318.461 2.171 20 0 DEADHO C[N@@H+]1CCCC[C@@H](CNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000623949423 365230809 /nfs/dbraw/zinc/23/08/09/365230809.db2.gz RHENLJCGTXYXMM-RDJZCZTQSA-N 1 3 322.497 2.034 20 0 DEADHO C[N@H+]1CCCC[C@@H](CNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000623949423 365230812 /nfs/dbraw/zinc/23/08/12/365230812.db2.gz RHENLJCGTXYXMM-RDJZCZTQSA-N 1 3 322.497 2.034 20 0 DEADHO COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)CO2 ZINC000624123659 365297814 /nfs/dbraw/zinc/29/78/14/365297814.db2.gz PXBYYZUJYZSSOX-GOEBONIOSA-N 1 3 304.434 2.320 20 0 DEADHO C[C@@H](NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000449600280 240743704 /nfs/dbraw/zinc/74/37/04/240743704.db2.gz JIQVTCIRUKBHFH-ARFHVFGLSA-N 1 3 317.477 2.182 20 0 DEADHO C[C@H](C[NH2+]C[C@H](O)CN1CCCC1)Oc1ccc(Cl)cc1 ZINC000629563078 367253328 /nfs/dbraw/zinc/25/33/28/367253328.db2.gz DUGJWTIEEAOOHM-HIFRSBDPSA-N 1 3 312.841 2.154 20 0 DEADHO COc1cccc(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1OC ZINC000677237107 541562703 /nfs/dbraw/zinc/56/27/03/541562703.db2.gz OJKAGZKPORERND-HOTGVXAUSA-N 1 3 304.434 2.463 20 0 DEADHO COc1cccc(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1OC ZINC000677237107 541562707 /nfs/dbraw/zinc/56/27/07/541562707.db2.gz OJKAGZKPORERND-HOTGVXAUSA-N 1 3 304.434 2.463 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](NCc2ccc(=O)[nH]c2)[C@H](C)C1 ZINC000631074172 368002614 /nfs/dbraw/zinc/00/26/14/368002614.db2.gz SVVBGJGIHZDEMR-ZBFHGGJFSA-N 1 3 307.438 2.014 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](NCc2ccc(=O)[nH]c2)[C@H](C)C1 ZINC000631074172 368002616 /nfs/dbraw/zinc/00/26/16/368002616.db2.gz SVVBGJGIHZDEMR-ZBFHGGJFSA-N 1 3 307.438 2.014 20 0 DEADHO C[NH+](C)CCOc1cccc(CNCc2ccc(=O)[nH]c2)c1 ZINC000631044620 367985534 /nfs/dbraw/zinc/98/55/34/367985534.db2.gz MYXCOBLBLDERNY-UHFFFAOYSA-N 1 3 301.390 2.017 20 0 DEADHO [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000261639474 203086299 /nfs/dbraw/zinc/08/62/99/203086299.db2.gz CLTGBNYEXIIQLW-KZNAEPCWSA-N 1 3 315.461 2.142 20 0 DEADHO CN(CCCNC(=O)[C@H]1CCC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000261556839 203077514 /nfs/dbraw/zinc/07/75/14/203077514.db2.gz WJTRMUCVWVCIBO-IRXDYDNUSA-N 1 3 303.450 2.142 20 0 DEADHO Cc1ccc([C@@H](C)[NH2+]CCCCN2CCN(C)CC2)c(C)n1 ZINC000678410473 541725615 /nfs/dbraw/zinc/72/56/15/541725615.db2.gz ABQQLYFSYNWZIP-MRXNPFEDSA-N 1 3 304.482 2.377 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000261846357 203132628 /nfs/dbraw/zinc/13/26/28/203132628.db2.gz ZHSDFRSGHPWSRE-KZNAEPCWSA-N 1 3 315.461 2.457 20 0 DEADHO C[C@@H](CNC(=O)CC[C@H]1CC[NH2+]C1)N(C)Cc1ccccc1 ZINC000261923866 203154247 /nfs/dbraw/zinc/15/42/47/203154247.db2.gz XZXQLGSFIYUNNF-HOTGVXAUSA-N 1 3 303.450 2.013 20 0 DEADHO C[C@H]([NH2+][C@H](CO)CC1CC1)c1ccc(OCCN(C)C)cc1 ZINC000678607581 541750634 /nfs/dbraw/zinc/75/06/34/541750634.db2.gz QUFTXAIMFBNODP-YOEHRIQHSA-N 1 3 306.450 2.439 20 0 DEADHO C[C@@H]1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000262624421 203355454 /nfs/dbraw/zinc/35/54/54/203355454.db2.gz ASTRPVKPPVEEST-NXHRZFHOSA-N 1 3 315.461 2.237 20 0 DEADHO CN(C)C/C=C/C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266425436 205336211 /nfs/dbraw/zinc/33/62/11/205336211.db2.gz QROOMPJPRVWIDK-RUJXFNLJSA-N 1 3 315.461 2.085 20 0 DEADHO CN(C)C/C=C/C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266425436 205336215 /nfs/dbraw/zinc/33/62/15/205336215.db2.gz QROOMPJPRVWIDK-RUJXFNLJSA-N 1 3 315.461 2.085 20 0 DEADHO CCn1nc(C)c(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1C ZINC000530249762 284385821 /nfs/dbraw/zinc/38/58/21/284385821.db2.gz YUGCVITWLSCDGZ-KRWDZBQOSA-N 1 3 320.481 2.110 20 0 DEADHO C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000530276177 284393484 /nfs/dbraw/zinc/39/34/84/284393484.db2.gz KHGYGENPHVWFGL-RDJZCZTQSA-N 1 3 307.482 2.384 20 0 DEADHO C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000530276177 284393488 /nfs/dbraw/zinc/39/34/88/284393488.db2.gz KHGYGENPHVWFGL-RDJZCZTQSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@H](NC(=O)N[C@H]1CCCN(C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000679687122 541900316 /nfs/dbraw/zinc/90/03/16/541900316.db2.gz XGNIPORZYYPFKH-JYJNAYRXSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](NC(=O)N[C@H]1CCCN(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000679687122 541900320 /nfs/dbraw/zinc/90/03/20/541900320.db2.gz XGNIPORZYYPFKH-JYJNAYRXSA-N 1 3 322.497 2.033 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000158658685 291644230 /nfs/dbraw/zinc/64/42/30/291644230.db2.gz ZZLDGUYKQNTSJE-MRXNPFEDSA-N 1 3 324.513 2.425 20 0 DEADHO COc1ccc(C[C@@H](C)[NH2+]CC2=CCN(C)CC2)cc1OC ZINC000271861003 209274653 /nfs/dbraw/zinc/27/46/53/209274653.db2.gz KJZGZIXKYGPFQQ-CQSZACIVSA-N 1 3 304.434 2.486 20 0 DEADHO C[C@H](NC(=O)N1CC[C@]2(C1)CCCN(C)C2)C(C)(C)C[NH+](C)C ZINC000458533130 248360482 /nfs/dbraw/zinc/36/04/82/248360482.db2.gz XEBADBCPHQADTG-MAUKXSAKSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)/C=C\C[NH+](C)C)C1 ZINC000493075817 249214923 /nfs/dbraw/zinc/21/49/23/249214923.db2.gz AOIKGORSQZOZBB-JEZWAEDTSA-N 1 3 315.461 2.085 20 0 DEADHO O=C(/C=C/c1ccccc1)NCCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000493711636 249371124 /nfs/dbraw/zinc/37/11/24/249371124.db2.gz DOFKDJVBCXDSJW-SVNUPRPJSA-N 1 3 313.445 2.079 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC[C@H](C)N(C)C ZINC000459049146 284688781 /nfs/dbraw/zinc/68/87/81/284688781.db2.gz YSMDGBXQIVDLGA-HRCADAONSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@H](CNC(=O)NC[C@H](c1ccccc1)N(C)C)[N@H+](C)C1CC1 ZINC000105075251 194068503 /nfs/dbraw/zinc/06/85/03/194068503.db2.gz BXEGXHUSXJZJKR-RHSMWYFYSA-N 1 3 318.465 2.071 20 0 DEADHO C[C@H](CNC(=O)NC[C@H](c1ccccc1)N(C)C)[N@@H+](C)C1CC1 ZINC000105075251 194068505 /nfs/dbraw/zinc/06/85/05/194068505.db2.gz BXEGXHUSXJZJKR-RHSMWYFYSA-N 1 3 318.465 2.071 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+]CC2(N(C)C)CCC2)cc1 ZINC000682087310 542263616 /nfs/dbraw/zinc/26/36/16/542263616.db2.gz AAEJVJXWOIGFFU-UHFFFAOYSA-N 1 3 305.466 2.201 20 0 DEADHO Cc1cccc(C(=O)N(CCN(C)C)CC[NH+](C)C)c1Cl ZINC000535119474 284883040 /nfs/dbraw/zinc/88/30/40/284883040.db2.gz BHEVLFSYTVOXRN-UHFFFAOYSA-N 1 3 311.857 2.214 20 0 DEADHO COc1ccc(OCc2ccccn2)c(CNCCCC[NH3+])c1 ZINC000414902083 533019980 /nfs/dbraw/zinc/01/99/80/533019980.db2.gz JMBPZKVRYTZBIY-UHFFFAOYSA-N 1 3 315.417 2.498 20 0 DEADHO C[C@@H](Cc1ccsc1)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000556888999 291850167 /nfs/dbraw/zinc/85/01/67/291850167.db2.gz OKBZDHQXFGWKHS-HNNXBMFYSA-N 1 3 323.506 2.261 20 0 DEADHO O=C1NCCN(CC[C@H]2CCC[NH2+]C2)[C@@H]1CC1CCCCC1 ZINC000422628325 296372251 /nfs/dbraw/zinc/37/22/51/296372251.db2.gz AFZOHVNZESIDNQ-IAGOWNOFSA-N 1 3 307.482 2.147 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000557516047 291868586 /nfs/dbraw/zinc/86/85/86/291868586.db2.gz MNMOWJAZCQMEBF-INIZCTEOSA-N 1 3 317.477 2.395 20 0 DEADHO COC[C@H]([NH2+]C[C@@H]1CCCN(CC(C)C)C1)C1CCOCC1 ZINC000188253145 533090082 /nfs/dbraw/zinc/09/00/82/533090082.db2.gz SRGZBTBJSFBNOK-WMZOPIPTSA-N 1 3 312.498 2.386 20 0 DEADHO COC[C@H](NC[C@@H]1CCC[N@H+](CC(C)C)C1)C1CCOCC1 ZINC000188253145 533090088 /nfs/dbraw/zinc/09/00/88/533090088.db2.gz SRGZBTBJSFBNOK-WMZOPIPTSA-N 1 3 312.498 2.386 20 0 DEADHO COC[C@H](NC[C@@H]1CCC[N@@H+](CC(C)C)C1)C1CCOCC1 ZINC000188253145 533090092 /nfs/dbraw/zinc/09/00/92/533090092.db2.gz SRGZBTBJSFBNOK-WMZOPIPTSA-N 1 3 312.498 2.386 20 0 DEADHO CC[NH+](CC)CCCC1CCN([C@H]2CCCN(C)C2=O)CC1 ZINC000542018307 285206226 /nfs/dbraw/zinc/20/62/26/285206226.db2.gz MWJANZXNZFQJBM-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@H](NC(=O)NCc1ccc2c(c1)CNC2)C(C)(C)C[NH+](C)C ZINC000417857894 533185648 /nfs/dbraw/zinc/18/56/48/533185648.db2.gz OVLWHEKIEOEHDV-CYBMUJFWSA-N 1 3 318.465 2.065 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[C@@H](C)C1 ZINC000444148976 285246303 /nfs/dbraw/zinc/24/63/03/285246303.db2.gz ZBVOIGAVHVBLSB-IXDOHACOSA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[C@@H](C)C1 ZINC000444148976 285246304 /nfs/dbraw/zinc/24/63/04/285246304.db2.gz ZBVOIGAVHVBLSB-IXDOHACOSA-N 1 3 324.513 2.233 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)NCC[N@H+](C)CC)c1ccccc1 ZINC000120742281 195228518 /nfs/dbraw/zinc/22/85/18/195228518.db2.gz UPKFDSWGELZKBK-KRWDZBQOSA-N 1 3 320.481 2.320 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)NCC[N@@H+](C)CC)c1ccccc1 ZINC000120742281 195228520 /nfs/dbraw/zinc/22/85/20/195228520.db2.gz UPKFDSWGELZKBK-KRWDZBQOSA-N 1 3 320.481 2.320 20 0 DEADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000294926358 224317126 /nfs/dbraw/zinc/31/71/26/224317126.db2.gz GASYSUXPSQGPQI-XWIAVFTESA-N 1 3 311.429 2.344 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@@H]2CC[NH2+][C@H]2CC)N(C)C)cc1 ZINC000289835586 221258621 /nfs/dbraw/zinc/25/86/21/221258621.db2.gz DVKOGGNNSMWFNP-SQNIBIBYSA-N 1 3 317.477 2.356 20 0 DEADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000684138143 542556949 /nfs/dbraw/zinc/55/69/49/542556949.db2.gz JSLKDLQITBJSGB-JKSUJKDBSA-N 1 3 324.513 2.280 20 0 DEADHO Cc1ccccc1CN1CCC(NC(=O)CC[NH2+]C(C)C)CC1 ZINC000561924410 291967728 /nfs/dbraw/zinc/96/77/28/291967728.db2.gz QNHBRLMIIBGXSU-UHFFFAOYSA-N 1 3 317.477 2.464 20 0 DEADHO COc1ccc2c(c1)[C@H](NCCOCC[NH+](C)C)CCS2 ZINC000447591515 533298824 /nfs/dbraw/zinc/29/88/24/533298824.db2.gz IJORFWPRTWDPPU-OAHLLOKOSA-N 1 3 310.463 2.400 20 0 DEADHO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CC[C@@H]2CCCN2C)C1 ZINC000428775826 533635785 /nfs/dbraw/zinc/63/57/85/533635785.db2.gz CHLSGVHXTGWWJB-PKOBYXMFSA-N 1 3 316.445 2.287 20 0 DEADHO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](CC[C@@H]2CCCN2C)C1 ZINC000428775826 533635788 /nfs/dbraw/zinc/63/57/88/533635788.db2.gz CHLSGVHXTGWWJB-PKOBYXMFSA-N 1 3 316.445 2.287 20 0 DEADHO C[C@H](CC(=O)NCCN1[C@H](C)CCC[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000430889786 533649842 /nfs/dbraw/zinc/64/98/42/533649842.db2.gz PSYTWJJIVBZOSR-QBPKDAKJSA-N 1 3 309.498 2.391 20 0 DEADHO CCN1CCN(Cc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000685440091 542724465 /nfs/dbraw/zinc/72/44/65/542724465.db2.gz SXRJPMLCRGYXNL-INIZCTEOSA-N 1 3 305.466 2.153 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CN2CCC(C)(C)C2)C1 ZINC000562863815 292015128 /nfs/dbraw/zinc/01/51/28/292015128.db2.gz JNVFMIOAMWVOIJ-HZPDHXFCSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@H](CNC(=O)N(C)[C@@H](C)C1CCN(C)CC1)C[NH+]1CCCC1 ZINC000351700395 132931453 /nfs/dbraw/zinc/93/14/53/132931453.db2.gz RBPIJXFSLYIUFV-CVEARBPZSA-N 1 3 324.513 2.090 20 0 DEADHO Cc1ccc(CN(CC[NH+](C)C)C(=O)CN2[C@H](C)CC[C@@H]2C)o1 ZINC000355406574 133024530 /nfs/dbraw/zinc/02/45/30/133024530.db2.gz DTFYZWCIMGVICC-GASCZTMLSA-N 1 3 321.465 2.351 20 0 DEADHO CCC[C@H]1C[C@@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000360148985 133165339 /nfs/dbraw/zinc/16/53/39/133165339.db2.gz GXTHKCPGNRJUIG-YOEHRIQHSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(CN2CCCC2=O)cc1 ZINC000360149629 133165359 /nfs/dbraw/zinc/16/53/59/133165359.db2.gz OMLVOSUGUHGEMU-CRAIPNDOSA-N 1 3 315.461 2.239 20 0 DEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(CN2CCCC2=O)cc1 ZINC000360149629 133165360 /nfs/dbraw/zinc/16/53/60/133165360.db2.gz OMLVOSUGUHGEMU-CRAIPNDOSA-N 1 3 315.461 2.239 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000362405772 133228647 /nfs/dbraw/zinc/22/86/47/133228647.db2.gz XEUZSTPCQDNOES-WBAXXEDZSA-N 1 3 317.477 2.166 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000362405772 133228648 /nfs/dbraw/zinc/22/86/48/133228648.db2.gz XEUZSTPCQDNOES-WBAXXEDZSA-N 1 3 317.477 2.166 20 0 DEADHO C[C@H](NC(=O)c1ccccc1CN(C)C)C(C)(C)C[NH+](C)C ZINC000362826914 133253219 /nfs/dbraw/zinc/25/32/19/133253219.db2.gz PAHGZAXGXWFRNC-AWEZNQCLSA-N 1 3 305.466 2.454 20 0 DEADHO CSC1(C[NH+]2CCC(CN3CCN(C)CC3)CC2)CCC1 ZINC000368230026 133265596 /nfs/dbraw/zinc/26/55/96/133265596.db2.gz ZIPBAONZPPHCGJ-UHFFFAOYSA-N 1 3 311.539 2.232 20 0 DEADHO NCc1cc(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)cc(C(F)(F)F)c1 ZINC000373366531 133387922 /nfs/dbraw/zinc/38/79/22/133387922.db2.gz SMJUQCXMYKYWLF-GXTWGEPZSA-N 1 3 313.323 2.102 20 0 DEADHO C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000563208468 292039506 /nfs/dbraw/zinc/03/95/06/292039506.db2.gz YFIYPZYVKVOVAO-HUUCEWRRSA-N 1 3 318.465 2.130 20 0 DEADHO c1ncn(-c2cccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)c2)n1 ZINC000563444469 292057683 /nfs/dbraw/zinc/05/76/83/292057683.db2.gz QJQSOHYOZXKCIW-FGTMMUONSA-N 1 3 311.433 2.278 20 0 DEADHO COc1ccc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1O ZINC000563460690 292058646 /nfs/dbraw/zinc/05/86/46/292058646.db2.gz FGEPSNZIRBVMPJ-QAPCUYQASA-N 1 3 320.433 2.119 20 0 DEADHO Cc1cccc(-c2n[nH]cc2CNCCOCC[NH+](C)C)c1 ZINC000354205090 146694794 /nfs/dbraw/zinc/69/47/94/146694794.db2.gz NTMQBRFFSLNOFT-UHFFFAOYSA-N 1 3 302.422 2.053 20 0 DEADHO CN(C)Cc1ccc(NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)cc1 ZINC000563885873 292078352 /nfs/dbraw/zinc/07/83/52/292078352.db2.gz YLTMNRWBNKDSNB-MAUKXSAKSA-N 1 3 301.434 2.467 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)C1 ZINC000564225716 292089510 /nfs/dbraw/zinc/08/95/10/292089510.db2.gz LJKLUYBXEBHVOW-CWQOZTLDSA-N 1 3 313.445 2.003 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C)c(C)c1 ZINC001422615073 1172765868 /nfs/dbraw/zinc/76/58/68/1172765868.db2.gz BNLSIMSZZTWDFN-MRXNPFEDSA-N 1 3 305.466 2.238 20 0 DEADHO CC(C)C[C@H](CNC(=O)c1ccccc1CN(C)C)[NH+](C)C ZINC000564884561 292118105 /nfs/dbraw/zinc/11/81/05/292118105.db2.gz DASCTYTWJJFPMN-MRXNPFEDSA-N 1 3 305.466 2.454 20 0 DEADHO C[C@@H]1CN(C(=O)c2ccc(Nc3ccncc3)cc2)[C@@H](C)C[NH2+]1 ZINC000356374883 404483011 /nfs/dbraw/zinc/48/30/11/404483011.db2.gz SVNSHGCNTFGAKZ-KGLIPLIRSA-N 1 3 310.401 2.070 20 0 DEADHO Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000248050873 145147431 /nfs/dbraw/zinc/14/74/31/145147431.db2.gz WIPAPYDMWLHDDH-KSZLIROESA-N 1 3 318.461 2.151 20 0 DEADHO Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000248050873 145147432 /nfs/dbraw/zinc/14/74/32/145147432.db2.gz WIPAPYDMWLHDDH-KSZLIROESA-N 1 3 318.461 2.151 20 0 DEADHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)CCc3ccccc3)CC[C@H]21 ZINC000248553716 145158467 /nfs/dbraw/zinc/15/84/67/145158467.db2.gz HOIXSPYGMNIOLF-GUDVDZBRSA-N 1 3 302.462 2.396 20 0 DEADHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)CCc3ccccc3)CC[C@H]21 ZINC000248553716 145158469 /nfs/dbraw/zinc/15/84/69/145158469.db2.gz HOIXSPYGMNIOLF-GUDVDZBRSA-N 1 3 302.462 2.396 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)CCc3ccccc3)CC[C@H]21 ZINC000248553716 145158470 /nfs/dbraw/zinc/15/84/70/145158470.db2.gz HOIXSPYGMNIOLF-GUDVDZBRSA-N 1 3 302.462 2.396 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C[C@H](O)CCc3ccccc3)CC[C@H]21 ZINC000248553716 145158472 /nfs/dbraw/zinc/15/84/72/145158472.db2.gz HOIXSPYGMNIOLF-GUDVDZBRSA-N 1 3 302.462 2.396 20 0 DEADHO O=C(CC[C@@H]1CCC[NH2+]1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000261549694 145207041 /nfs/dbraw/zinc/20/70/41/145207041.db2.gz PAKJWMATRVCQDK-ZWKOTPCHSA-N 1 3 315.461 2.299 20 0 DEADHO C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000261826908 145230916 /nfs/dbraw/zinc/23/09/16/145230916.db2.gz BEUJXUCUNIPZMG-CABCVRRESA-N 1 3 301.434 2.025 20 0 DEADHO C[C@@H]([NH3+])CC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000261891558 145238220 /nfs/dbraw/zinc/23/82/20/145238220.db2.gz UAJZJRSTQDCQMG-NVXWUHKLSA-N 1 3 303.450 2.313 20 0 DEADHO CC1CCC(N2CCN(C(=O)CC[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000261897338 145238372 /nfs/dbraw/zinc/23/83/72/145238372.db2.gz UOUWFCIQWHQLBP-AQFXKWCLSA-N 1 3 307.482 2.099 20 0 DEADHO Cc1ccc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261901228 145239593 /nfs/dbraw/zinc/23/95/93/145239593.db2.gz OWVAZAHMLOUOEF-QZTJIDSGSA-N 1 3 315.461 2.075 20 0 DEADHO Cc1cc(C)c(CN2CCCC[C@H]2CNC(=O)CC[NH3+])cc1C ZINC000262047130 145256670 /nfs/dbraw/zinc/25/66/70/145256670.db2.gz PVYIRZHWPGWTPP-SFHVURJKSA-N 1 3 317.477 2.431 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)C[NH2+]CC2CC2)CCN1Cc1ccccc1 ZINC000262642996 145297622 /nfs/dbraw/zinc/29/76/22/145297622.db2.gz LSHZPHWYUQOAHS-YJBOKZPZSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000320595502 145374821 /nfs/dbraw/zinc/37/48/21/145374821.db2.gz ZZMSQVOPYLDOCZ-HNNXBMFYSA-N 1 3 318.465 2.017 20 0 DEADHO O=C(NC[C@@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000346832689 146149380 /nfs/dbraw/zinc/14/93/80/146149380.db2.gz MDCJJWRQGHEOMJ-IRXDYDNUSA-N 1 3 315.461 2.128 20 0 DEADHO O=C(NC[C@@H]1CCC[N@H+](C[C@H]2CCCNC2)C1)c1ccccc1 ZINC000346832689 146149383 /nfs/dbraw/zinc/14/93/83/146149383.db2.gz MDCJJWRQGHEOMJ-IRXDYDNUSA-N 1 3 315.461 2.128 20 0 DEADHO O=C(NC[C@@H]1CCC[N@@H+](C[C@H]2CCCNC2)C1)c1ccccc1 ZINC000346832689 146149387 /nfs/dbraw/zinc/14/93/87/146149387.db2.gz MDCJJWRQGHEOMJ-IRXDYDNUSA-N 1 3 315.461 2.128 20 0 DEADHO CCCCN(C)CCNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000348211862 146234335 /nfs/dbraw/zinc/23/43/35/146234335.db2.gz UYTUYMAJLJVFCQ-QGZVFWFLSA-N 1 3 324.513 2.092 20 0 DEADHO CCCCN(C)CCNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000348211862 146234336 /nfs/dbraw/zinc/23/43/36/146234336.db2.gz UYTUYMAJLJVFCQ-QGZVFWFLSA-N 1 3 324.513 2.092 20 0 DEADHO Cc1cccc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000348846759 146320315 /nfs/dbraw/zinc/32/03/15/146320315.db2.gz GONTZGHQAXXZDH-UHFFFAOYSA-N 1 3 316.493 2.240 20 0 DEADHO CCCCOc1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000348975972 146335236 /nfs/dbraw/zinc/33/52/36/146335236.db2.gz POOHYVXRBHITLX-SFHVURJKSA-N 1 3 317.477 2.345 20 0 DEADHO CCN(CCOCC[NH3+])Cc1cccc(Br)c1 ZINC000357083391 147038196 /nfs/dbraw/zinc/03/81/96/147038196.db2.gz YPNNICUYRZYVLV-UHFFFAOYSA-N 1 3 301.228 2.246 20 0 DEADHO c1ccc(OCCOCCN2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000357092843 147040607 /nfs/dbraw/zinc/04/06/07/147040607.db2.gz XSLIOQIWTKEKBR-SFHVURJKSA-N 1 3 318.461 2.404 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000358277992 147105077 /nfs/dbraw/zinc/10/50/77/147105077.db2.gz QHRYZMRJEULIIZ-IRXDYDNUSA-N 1 3 322.497 2.131 20 0 DEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000358277992 147105079 /nfs/dbraw/zinc/10/50/79/147105079.db2.gz QHRYZMRJEULIIZ-IRXDYDNUSA-N 1 3 322.497 2.131 20 0 DEADHO Cc1ccccc1CN(C)C(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358508145 147148009 /nfs/dbraw/zinc/14/80/09/147148009.db2.gz OKYFZOQTCSKLFS-UHFFFAOYSA-N 1 3 315.461 2.029 20 0 DEADHO Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@H](C)CCCC[NH3+])cc1 ZINC000423047866 292171149 /nfs/dbraw/zinc/17/11/49/292171149.db2.gz HJFNSSPLLUIPFJ-HUUCEWRRSA-N 1 3 312.479 2.264 20 0 DEADHO Cc1nnc([C@H](C)NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)s1 ZINC000565635669 292174101 /nfs/dbraw/zinc/17/41/01/292174101.db2.gz FTGHWIGKRWQEAN-GXFFZTMASA-N 1 3 323.466 2.224 20 0 DEADHO Cc1nnc([C@H](C)NC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)s1 ZINC000565635669 292174102 /nfs/dbraw/zinc/17/41/02/292174102.db2.gz FTGHWIGKRWQEAN-GXFFZTMASA-N 1 3 323.466 2.224 20 0 DEADHO CC1(C)CN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCN1 ZINC000371820787 148144107 /nfs/dbraw/zinc/14/41/07/148144107.db2.gz PPDBPUVSVMAWPA-KRWDZBQOSA-N 1 3 315.461 2.109 20 0 DEADHO CC1(C)CN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCN1 ZINC000371820787 148144110 /nfs/dbraw/zinc/14/41/10/148144110.db2.gz PPDBPUVSVMAWPA-KRWDZBQOSA-N 1 3 315.461 2.109 20 0 DEADHO COC[C@H]1CCCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000374293512 148227340 /nfs/dbraw/zinc/22/73/40/148227340.db2.gz PTAQKOXKMVNKEM-SFHVURJKSA-N 1 3 311.514 2.151 20 0 DEADHO COC[C@H]1CCCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000374293512 148227342 /nfs/dbraw/zinc/22/73/42/148227342.db2.gz PTAQKOXKMVNKEM-SFHVURJKSA-N 1 3 311.514 2.151 20 0 DEADHO C[NH+](C)CCOc1ccccc1CNC[C@@H](O)CC(F)(F)F ZINC000566109298 292206223 /nfs/dbraw/zinc/20/62/23/292206223.db2.gz OMLXSJPCEYBAPS-ZDUSSCGKSA-N 1 3 320.355 2.030 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000073664105 401720229 /nfs/dbraw/zinc/72/02/29/401720229.db2.gz PRFJHZSJLFQUFH-INIZCTEOSA-N 1 3 324.513 2.282 20 0 DEADHO FC(F)(F)COCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000111636837 401719053 /nfs/dbraw/zinc/71/90/53/401719053.db2.gz OJXGLUHWEYQWFO-UHFFFAOYSA-N 1 3 303.328 2.219 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN(C)C(C2CC2)C2CC2)CC1 ZINC000114455960 401800443 /nfs/dbraw/zinc/80/04/43/401800443.db2.gz YTHNLYHQUBZUOG-UHFFFAOYSA-N 1 3 307.482 2.096 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc2cc(F)ccc2o1 ZINC000117791596 401884229 /nfs/dbraw/zinc/88/42/29/401884229.db2.gz PYMLIBVFNBFWOB-UHFFFAOYSA-N 1 3 321.396 2.137 20 0 DEADHO COc1cc(NCCN[C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc(OC)c1 ZINC000090719740 401987194 /nfs/dbraw/zinc/98/71/94/401987194.db2.gz FEBUCYYYXAKRLL-LBTNJELSSA-N 1 3 321.465 2.434 20 0 DEADHO COc1cc(NCCN[C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc(OC)c1 ZINC000090719740 401987195 /nfs/dbraw/zinc/98/71/95/401987195.db2.gz FEBUCYYYXAKRLL-LBTNJELSSA-N 1 3 321.465 2.434 20 0 DEADHO CN(C)CCOc1ccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000120638349 401996514 /nfs/dbraw/zinc/99/65/14/401996514.db2.gz YQWFOTFYNFFCLD-ZWKOTPCHSA-N 1 3 317.477 2.343 20 0 DEADHO CN(C)CCOc1ccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000120638349 401996518 /nfs/dbraw/zinc/99/65/18/401996518.db2.gz YQWFOTFYNFFCLD-ZWKOTPCHSA-N 1 3 317.477 2.343 20 0 DEADHO C[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000044534837 401944802 /nfs/dbraw/zinc/94/48/02/401944802.db2.gz XFKROCGERCDLTI-ZIAGYGMSSA-N 1 3 310.463 2.083 20 0 DEADHO C[C@H](CCCO)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000151157039 402020084 /nfs/dbraw/zinc/02/00/84/402020084.db2.gz YEGOCCFXMLUCAZ-MRXNPFEDSA-N 1 3 319.493 2.468 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)C3CCCCC3)CC2)CC1 ZINC000050802603 402029719 /nfs/dbraw/zinc/02/97/19/402029719.db2.gz VTGKIOMJNBHNRL-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cnn(C(C)C)c2)CC1 ZINC000121363618 402030798 /nfs/dbraw/zinc/03/07/98/402030798.db2.gz USQNESQOLMYAHS-IRXDYDNUSA-N 1 3 321.513 2.388 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1ccccc1OCCN(C)C ZINC000122331275 402073246 /nfs/dbraw/zinc/07/32/46/402073246.db2.gz UTNMDYTUZJCCDT-JFIYKMOQSA-N 1 3 319.493 2.445 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1ccccc1OCCN(C)C ZINC000122331275 402073248 /nfs/dbraw/zinc/07/32/48/402073248.db2.gz UTNMDYTUZJCCDT-JFIYKMOQSA-N 1 3 319.493 2.445 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H]2CCN(C3CC3)C2)[C@H](C)C1 ZINC000152412429 402095594 /nfs/dbraw/zinc/09/55/94/402095594.db2.gz GRYBMHXPPACMBD-AOIWGVFYSA-N 1 3 323.525 2.197 20 0 DEADHO CN(C)CCNC(=O)c1ccc(C[NH2+]C[C@@H]2CC=CCC2)cc1 ZINC000123383614 402125098 /nfs/dbraw/zinc/12/50/98/402125098.db2.gz PYFPOOYBYIHHGO-MRXNPFEDSA-N 1 3 315.461 2.424 20 0 DEADHO C[C@H](CNC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)C[NH+]1CCCCC1 ZINC000101649193 402152223 /nfs/dbraw/zinc/15/22/23/402152223.db2.gz ZWBMENPYTPUICQ-VQHPVUNQSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000566286975 292225377 /nfs/dbraw/zinc/22/53/77/292225377.db2.gz VALLORJYCARTMD-NXHRZFHOSA-N 1 3 315.461 2.470 20 0 DEADHO C[C@@H](CNC(=O)N(C)CC1CC[NH+](C)CC1)N1CCC[C@H](C)C1 ZINC000103603732 402192774 /nfs/dbraw/zinc/19/27/74/402192774.db2.gz GRKSQMBVGHSGKL-HOTGVXAUSA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(C)C ZINC000106905449 402221382 /nfs/dbraw/zinc/22/13/82/402221382.db2.gz AYLKMHAREAAYLB-GOSISDBHSA-N 1 3 317.477 2.485 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccccc2OC)CC1 ZINC000155630144 402263718 /nfs/dbraw/zinc/26/37/18/402263718.db2.gz GWBFVXFPBQHJAM-HZPDHXFCSA-N 1 3 305.466 2.372 20 0 DEADHO C[C@@H](C[NH2+]C1CCN(CC(F)F)CC1)CN1CCCCC1 ZINC000125601794 402241026 /nfs/dbraw/zinc/24/10/26/402241026.db2.gz XFXYDMJMLAZGPW-AWEZNQCLSA-N 1 3 303.441 2.428 20 0 DEADHO CC[C@H](C(=O)NC1CCN([C@H](C)c2ccncc2)CC1)[NH+](C)C ZINC000155245360 402250367 /nfs/dbraw/zinc/25/03/67/402250367.db2.gz BKXYGLMSQGFVMM-RHSMWYFYSA-N 1 3 318.465 2.063 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)NC[C@H]1CCCN(C)C1 ZINC000108573521 402258097 /nfs/dbraw/zinc/25/80/97/402258097.db2.gz GCCWONFDGMRDAT-MRXNPFEDSA-N 1 3 312.502 2.140 20 0 DEADHO CCC[C@@H]1CN(CCCCn2ccnc2C)CC[N@@H+]1CCOC ZINC000154405758 402211239 /nfs/dbraw/zinc/21/12/39/402211239.db2.gz MNPGMAAXWDGKRI-GOSISDBHSA-N 1 3 322.497 2.404 20 0 DEADHO CCC[C@@H]1CN(CCCCn2ccnc2C)CC[N@H+]1CCOC ZINC000154405758 402211241 /nfs/dbraw/zinc/21/12/41/402211241.db2.gz MNPGMAAXWDGKRI-GOSISDBHSA-N 1 3 322.497 2.404 20 0 DEADHO [NH3+]CCC1CCN(Cc2ccccc2N2CCOCC2)CC1 ZINC000566317411 292229128 /nfs/dbraw/zinc/22/91/28/292229128.db2.gz NOYXKZJKPRGVIS-UHFFFAOYSA-N 1 3 303.450 2.084 20 0 DEADHO C[NH+](C)CCOCCNCc1cc(Br)cs1 ZINC000230004643 402346061 /nfs/dbraw/zinc/34/60/61/402346061.db2.gz XDYJFNHXABDTAB-UHFFFAOYSA-N 1 3 307.257 2.178 20 0 DEADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000236594960 402367319 /nfs/dbraw/zinc/36/73/19/402367319.db2.gz CAVMVGHGYNPDTI-MSOLQXFVSA-N 1 3 317.477 2.483 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC000236760531 402380933 /nfs/dbraw/zinc/38/09/33/402380933.db2.gz GXCIPPWWRBKPGY-QGZVFWFLSA-N 1 3 303.450 2.268 20 0 DEADHO CN1CCC[C@H](CNC(=O)C2CC[NH2+]CC2)[C@@H]1c1cccs1 ZINC000237123331 402396269 /nfs/dbraw/zinc/39/62/69/402396269.db2.gz IDYIBHGUJVXAEM-GDBMZVCRSA-N 1 3 321.490 2.247 20 0 DEADHO CN(C)[C@H](CNC(=O)c1ccc(C[NH3+])cc1)Cc1ccccc1 ZINC000237202852 402399531 /nfs/dbraw/zinc/39/95/31/402399531.db2.gz SMIMPCQJVRJVIV-SFHVURJKSA-N 1 3 311.429 2.048 20 0 DEADHO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000237422411 402407933 /nfs/dbraw/zinc/40/79/33/402407933.db2.gz ARNKSYOYYMBVPW-RHSMWYFYSA-N 1 3 301.434 2.234 20 0 DEADHO [NH3+]C1(C(=O)NC[C@H](c2cccs2)N2CCCC2)CCCC1 ZINC000237920926 402426022 /nfs/dbraw/zinc/42/60/22/402426022.db2.gz BSPHBGZBPKQPQX-CYBMUJFWSA-N 1 3 307.463 2.273 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)N(C)C ZINC000162832808 402433592 /nfs/dbraw/zinc/43/35/92/402433592.db2.gz TYVFAGQFJZFJKG-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000237076829 402394308 /nfs/dbraw/zinc/39/43/08/402394308.db2.gz TUXURALEZWZRIF-RYQLBKOJSA-N 1 3 317.477 2.041 20 0 DEADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000237076829 402394309 /nfs/dbraw/zinc/39/43/09/402394309.db2.gz TUXURALEZWZRIF-RYQLBKOJSA-N 1 3 317.477 2.041 20 0 DEADHO CN(C)CCN(C)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000164418456 402462252 /nfs/dbraw/zinc/46/22/52/402462252.db2.gz NQCRJJFWUPPNBE-UHFFFAOYSA-N 1 3 317.477 2.309 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)C[NH2+]CC1CC1)c1ccsc1 ZINC000164902742 402470075 /nfs/dbraw/zinc/47/00/75/402470075.db2.gz YYOJPRLBNGHLAH-HNNXBMFYSA-N 1 3 309.479 2.247 20 0 DEADHO CN(C(=O)[C@@H]1CCC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000165491584 402476847 /nfs/dbraw/zinc/47/68/47/402476847.db2.gz MLKXUWLZROZYBP-QZTJIDSGSA-N 1 3 315.461 2.109 20 0 DEADHO O=C(NC[C@H]1CCCN(Cc2cccs2)C1)[C@H]1CCCC[NH2+]1 ZINC000166201741 402482450 /nfs/dbraw/zinc/48/24/50/402482450.db2.gz RHQPUWDGUAEZTG-GDBMZVCRSA-N 1 3 321.490 2.218 20 0 DEADHO C[C@H]1C[C@H](NC(=O)C(C)(C)C[NH3+])CCN1Cc1ccccc1 ZINC000167542159 402491708 /nfs/dbraw/zinc/49/17/08/402491708.db2.gz LNARLHFWEKZEQX-GOEBONIOSA-N 1 3 303.450 2.141 20 0 DEADHO CN(C(=O)C[C@@H]1CCC[NH2+]1)C1CCN(Cc2ccccc2)CC1 ZINC000167670963 402493242 /nfs/dbraw/zinc/49/32/42/402493242.db2.gz MOIVUMSKSKWZFF-KRWDZBQOSA-N 1 3 315.461 2.252 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000169118773 402499846 /nfs/dbraw/zinc/49/98/46/402499846.db2.gz PPDCNNDTASJOTD-BGTYHANMSA-N 1 3 315.461 2.141 20 0 DEADHO NC[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000178801545 402541844 /nfs/dbraw/zinc/54/18/44/402541844.db2.gz HNEMKGGALSPVHE-ZWKOTPCHSA-N 1 3 315.461 2.110 20 0 DEADHO NC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000178801545 402541846 /nfs/dbraw/zinc/54/18/46/402541846.db2.gz HNEMKGGALSPVHE-ZWKOTPCHSA-N 1 3 315.461 2.110 20 0 DEADHO CN1CCCN(CCC[NH2+][C@H]2CCc3ccccc3C2)CC1 ZINC000246869788 402547939 /nfs/dbraw/zinc/54/79/39/402547939.db2.gz CMNOXSLBIMWBJQ-IBGZPJMESA-N 1 3 301.478 2.161 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)CN1C1CC1 ZINC000246929272 402549785 /nfs/dbraw/zinc/54/97/85/402549785.db2.gz GWXUXCLEAISJRP-YLFCFFPRSA-N 1 3 309.498 2.091 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000247071072 402555398 /nfs/dbraw/zinc/55/53/98/402555398.db2.gz WXRWGROBVBMEHX-QKPAOTATSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000247071072 402555401 /nfs/dbraw/zinc/55/54/01/402555401.db2.gz WXRWGROBVBMEHX-QKPAOTATSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)N1CCC[C@@H](C)C1 ZINC000247193351 402559173 /nfs/dbraw/zinc/55/91/73/402559173.db2.gz WRBNOMNFOWNAQJ-WCXIOVBPSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H]1CCCN(C)C1 ZINC000247261318 402561365 /nfs/dbraw/zinc/56/13/65/402561365.db2.gz WZLCIJJBTUFLQF-DLBZAZTESA-N 1 3 324.513 2.282 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H]1CCCN(C)C1 ZINC000247261318 402561367 /nfs/dbraw/zinc/56/13/67/402561367.db2.gz WZLCIJJBTUFLQF-DLBZAZTESA-N 1 3 324.513 2.282 20 0 DEADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H](CN)c1ccccc1 ZINC000246165046 402514698 /nfs/dbraw/zinc/51/46/98/402514698.db2.gz APDLHXHHDDDXQK-DLBZAZTESA-N 1 3 303.450 2.062 20 0 DEADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@H](CN)c1ccccc1 ZINC000246165046 402514699 /nfs/dbraw/zinc/51/46/99/402514699.db2.gz APDLHXHHDDDXQK-DLBZAZTESA-N 1 3 303.450 2.062 20 0 DEADHO CC1CC[NH+](CCCNC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)CC1 ZINC000246287394 402523384 /nfs/dbraw/zinc/52/33/84/402523384.db2.gz KNPICYYKZOJHQW-IAGOWNOFSA-N 1 3 324.513 2.090 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000246289122 402523652 /nfs/dbraw/zinc/52/36/52/402523652.db2.gz NDRZSDACZXFTQP-TWMKSMIVSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)C[C@H](N)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000178689408 402527011 /nfs/dbraw/zinc/52/70/11/402527011.db2.gz YVDPXCYRIGSRQT-SFHVURJKSA-N 1 3 317.477 2.183 20 0 DEADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000248062000 402581487 /nfs/dbraw/zinc/58/14/87/402581487.db2.gz LWPDFYOVHJXJQE-KKUMJFAQSA-N 1 3 311.470 2.316 20 0 DEADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000248062000 402581489 /nfs/dbraw/zinc/58/14/89/402581489.db2.gz LWPDFYOVHJXJQE-KKUMJFAQSA-N 1 3 311.470 2.316 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000171832660 402627090 /nfs/dbraw/zinc/62/70/90/402627090.db2.gz YXJCYEHFHGPUHW-KRWDZBQOSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171622591 402602708 /nfs/dbraw/zinc/60/27/08/402602708.db2.gz HYRLRRNFHHGRPM-SJORKVTESA-N 1 3 322.497 2.131 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnn3ccccc23)C[C@@H](C)O1 ZINC000171763455 402619717 /nfs/dbraw/zinc/61/97/17/402619717.db2.gz QAYNEAXICUVXIW-HZPDHXFCSA-N 1 3 316.449 2.313 20 0 DEADHO CC[C@]1(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CCC[NH2+]1 ZINC000192548968 402736615 /nfs/dbraw/zinc/73/66/15/402736615.db2.gz VYGRJMRIIWDDLD-PKOBYXMFSA-N 1 3 311.429 2.488 20 0 DEADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[C@H]1CN1CCCCC1 ZINC000263270160 402752875 /nfs/dbraw/zinc/75/28/75/402752875.db2.gz ORABBLVAUCDDGT-FBVQUNGASA-N 1 3 319.493 2.384 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174927555 402763626 /nfs/dbraw/zinc/76/36/26/402763626.db2.gz LEWLHHHBOKTJLA-SFHVURJKSA-N 1 3 317.477 2.307 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174927555 402763630 /nfs/dbraw/zinc/76/36/30/402763630.db2.gz LEWLHHHBOKTJLA-SFHVURJKSA-N 1 3 317.477 2.307 20 0 DEADHO CC[C@H](C)[C@H](C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000183530713 402774088 /nfs/dbraw/zinc/77/40/88/402774088.db2.gz HQZNBGSEQBBWNY-GJZGRUSLSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](C[NH3+])C(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000262361159 402725042 /nfs/dbraw/zinc/72/50/42/402725042.db2.gz KKHZEFUIZHATPT-QFBILLFUSA-N 1 3 315.461 2.096 20 0 DEADHO C[NH+]1CCC(O)(CNCc2ccc(-c3ccccc3)o2)CC1 ZINC000265827075 402953776 /nfs/dbraw/zinc/95/37/76/402953776.db2.gz CABZSLBWSJIZTP-UHFFFAOYSA-N 1 3 300.402 2.493 20 0 DEADHO Cc1ccc(C[NH+]2CCC(CN3CCN(C)CC3)CC2)cc1 ZINC000265409182 402916107 /nfs/dbraw/zinc/91/61/07/402916107.db2.gz DHQOTCQCXIFUDS-UHFFFAOYSA-N 1 3 301.478 2.454 20 0 DEADHO CN(C)[C@@H](CNC(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC000273180804 402980195 /nfs/dbraw/zinc/98/01/95/402980195.db2.gz DYKIWIZGAPNHQO-KRWDZBQOSA-N 1 3 303.450 2.137 20 0 DEADHO CN(c1ccccc1C[NH2+]C[C@H]1CCOC1)C1CCN(C)CC1 ZINC000268324745 403073482 /nfs/dbraw/zinc/07/34/82/403073482.db2.gz HAOWHOIWLZRFRC-MRXNPFEDSA-N 1 3 317.477 2.343 20 0 DEADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000268781289 403113286 /nfs/dbraw/zinc/11/32/86/403113286.db2.gz YDNDOJGFUXUIFJ-CPUCHLNUSA-N 1 3 303.450 2.207 20 0 DEADHO COc1cccc2c1CC[C@H]2[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282175511 403129377 /nfs/dbraw/zinc/12/93/77/403129377.db2.gz FIIWAVJYQOTQOW-QGZVFWFLSA-N 1 3 317.477 2.298 20 0 DEADHO Cn1ccc(CNCc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000270659407 403210046 /nfs/dbraw/zinc/21/00/46/403210046.db2.gz SPWKFJQBFIVUHF-UHFFFAOYSA-N 1 3 313.445 2.272 20 0 DEADHO C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CCCCN2C2CC2)cc1 ZINC000277443051 403218413 /nfs/dbraw/zinc/21/84/13/403218413.db2.gz FQMZGPPYBVUOTC-GOSISDBHSA-N 1 3 315.461 2.495 20 0 DEADHO Cc1cc(C[N@H+]2CCC[C@H](N(C)C)CC2)ccc1-n1cncn1 ZINC000277558308 403230545 /nfs/dbraw/zinc/23/05/45/403230545.db2.gz RMWUCZXYRGSOMJ-KRWDZBQOSA-N 1 3 313.449 2.492 20 0 DEADHO Cc1cc(C[N@@H+]2CCC[C@H](N(C)C)CC2)ccc1-n1cncn1 ZINC000277558308 403230546 /nfs/dbraw/zinc/23/05/46/403230546.db2.gz RMWUCZXYRGSOMJ-KRWDZBQOSA-N 1 3 313.449 2.492 20 0 DEADHO COCC1CCN(CC(C)C[NH+]2CCC(COC)CC2)CC1 ZINC000124873436 292267335 /nfs/dbraw/zinc/26/73/35/292267335.db2.gz STSSZYGZYNIXOF-UHFFFAOYSA-N 1 3 312.498 2.339 20 0 DEADHO COC(=O)[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC000339058391 403338312 /nfs/dbraw/zinc/33/83/12/403338312.db2.gz CRJSXMNJZBXQOY-FGTMMUONSA-N 1 3 316.445 2.359 20 0 DEADHO COC(=O)[C@@H]1CN(CC[C@H]2CCC[N@H+]2C)C[C@H]1c1ccccc1 ZINC000339058391 403338315 /nfs/dbraw/zinc/33/83/15/403338315.db2.gz CRJSXMNJZBXQOY-FGTMMUONSA-N 1 3 316.445 2.359 20 0 DEADHO COC(=O)[C@@H]1C[N@H+](CC[C@H]2CCCN2C)C[C@H]1c1ccccc1 ZINC000339058391 403338318 /nfs/dbraw/zinc/33/83/18/403338318.db2.gz CRJSXMNJZBXQOY-FGTMMUONSA-N 1 3 316.445 2.359 20 0 DEADHO COC(=O)[C@@H]1C[N@@H+](CC[C@H]2CCCN2C)C[C@H]1c1ccccc1 ZINC000339058391 403338321 /nfs/dbraw/zinc/33/83/21/403338321.db2.gz CRJSXMNJZBXQOY-FGTMMUONSA-N 1 3 316.445 2.359 20 0 DEADHO C[C@H]1CC[C@@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000345604749 403400694 /nfs/dbraw/zinc/40/06/94/403400694.db2.gz RUBPGNRPANNYRZ-LSDHHAIUSA-N 1 3 307.482 2.097 20 0 DEADHO OC1CCC([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)CC1 ZINC000285998632 403427460 /nfs/dbraw/zinc/42/74/60/403427460.db2.gz IMYZPMDFCOWGPK-VIQWUECVSA-N 1 3 302.462 2.444 20 0 DEADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H](N)CC(F)F)c1 ZINC000345732021 403459555 /nfs/dbraw/zinc/45/95/55/403459555.db2.gz YYZIWEMBMOEMAJ-CQSZACIVSA-N 1 3 313.392 2.126 20 0 DEADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H](N)CC(F)F)c1 ZINC000345732021 403459561 /nfs/dbraw/zinc/45/95/61/403459561.db2.gz YYZIWEMBMOEMAJ-CQSZACIVSA-N 1 3 313.392 2.126 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)CCCN1C ZINC000345779820 403481766 /nfs/dbraw/zinc/48/17/66/403481766.db2.gz LTSCJPDXLWYTQT-GDBMZVCRSA-N 1 3 310.486 2.081 20 0 DEADHO C[C@H](NCc1ccncc1OCC[NH+](C)C)[C@@]1(C)CCCO1 ZINC000340401316 403605572 /nfs/dbraw/zinc/60/55/72/403605572.db2.gz LPKSAKCWMBWAOD-WMLDXEAASA-N 1 3 307.438 2.069 20 0 DEADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000332925324 403637098 /nfs/dbraw/zinc/63/70/98/403637098.db2.gz INESAEMIGJZIPQ-WFASDCNBSA-N 1 3 322.497 2.078 20 0 DEADHO CCN1CCN(Cc2ccccc2C[NH2+]C2CC(OC)C2)CC1 ZINC000347309398 403658640 /nfs/dbraw/zinc/65/86/40/403658640.db2.gz VUHJIUQVKNRJIX-UHFFFAOYSA-N 1 3 317.477 2.091 20 0 DEADHO CC(C)=CCC[C@@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000567085399 292287875 /nfs/dbraw/zinc/28/78/75/292287875.db2.gz KRQGTCNQJMVUFU-MRXNPFEDSA-N 1 3 312.502 2.256 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NCC2([NH+](C)C)CCCCC2)CCCN1C ZINC000343652695 403678704 /nfs/dbraw/zinc/67/87/04/403678704.db2.gz LKPKHPDVDUDQOE-CABCVRRESA-N 1 3 310.486 2.033 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000340903752 403692406 /nfs/dbraw/zinc/69/24/06/403692406.db2.gz SNKOFAKOBZSRLN-CGTJXYLNSA-N 1 3 317.477 2.383 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000340903752 403692409 /nfs/dbraw/zinc/69/24/09/403692409.db2.gz SNKOFAKOBZSRLN-CGTJXYLNSA-N 1 3 317.477 2.383 20 0 DEADHO C[C@H](c1ccccn1)N1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000343717202 403705882 /nfs/dbraw/zinc/70/58/82/403705882.db2.gz RXUFYYAOKCADQY-HZPDHXFCSA-N 1 3 302.466 2.243 20 0 DEADHO C[C@H](c1ccccn1)N1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000343717202 403705883 /nfs/dbraw/zinc/70/58/83/403705883.db2.gz RXUFYYAOKCADQY-HZPDHXFCSA-N 1 3 302.466 2.243 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)CCC[NH+]1CCCC1)N1CCCCC1 ZINC000343773347 403727028 /nfs/dbraw/zinc/72/70/28/403727028.db2.gz BVMKGFBTZMGLQE-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000333345622 403730775 /nfs/dbraw/zinc/73/07/75/403730775.db2.gz QLZRGMUEGMNHFD-MLGOLLRUSA-N 1 3 302.422 2.140 20 0 DEADHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000333345622 403730778 /nfs/dbraw/zinc/73/07/78/403730778.db2.gz QLZRGMUEGMNHFD-MLGOLLRUSA-N 1 3 302.422 2.140 20 0 DEADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000343790962 403735763 /nfs/dbraw/zinc/73/57/63/403735763.db2.gz IVDIZJLACIRJRW-QXSJWSMHSA-N 1 3 310.486 2.031 20 0 DEADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000343790962 403735766 /nfs/dbraw/zinc/73/57/66/403735766.db2.gz IVDIZJLACIRJRW-QXSJWSMHSA-N 1 3 310.486 2.031 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CCCCN1CC ZINC000303592883 403756470 /nfs/dbraw/zinc/75/64/70/403756470.db2.gz MPWQRWXXCYRMHQ-IRXDYDNUSA-N 1 3 324.513 2.425 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1CCCCN1CC ZINC000303592883 403756471 /nfs/dbraw/zinc/75/64/71/403756471.db2.gz MPWQRWXXCYRMHQ-IRXDYDNUSA-N 1 3 324.513 2.425 20 0 DEADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000361713912 403818528 /nfs/dbraw/zinc/81/85/28/403818528.db2.gz KNTQVBYYHIUROK-RDJZCZTQSA-N 1 3 322.497 2.129 20 0 DEADHO CC[C@H](CCO)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000305105081 403833839 /nfs/dbraw/zinc/83/38/39/403833839.db2.gz ZDWALUFLOOJPMC-QGZVFWFLSA-N 1 3 319.493 2.468 20 0 DEADHO C[N@H+](CCNC(=O)N1CC[C@H](N2CCCCC2)C1)C1CCCC1 ZINC000341104084 403775744 /nfs/dbraw/zinc/77/57/44/403775744.db2.gz SJOLGVILDWUKOF-KRWDZBQOSA-N 1 3 322.497 2.131 20 0 DEADHO C[N@@H+](CCNC(=O)N1CC[C@H](N2CCCCC2)C1)C1CCCC1 ZINC000341104084 403775748 /nfs/dbraw/zinc/77/57/48/403775748.db2.gz SJOLGVILDWUKOF-KRWDZBQOSA-N 1 3 322.497 2.131 20 0 DEADHO C[NH+](C)CC[C@@H](NC(=O)c1ccc2c(c1)CNC2)C(C)(C)C ZINC000347635279 403784987 /nfs/dbraw/zinc/78/49/87/403784987.db2.gz AUNMGECXWWEDMR-MRXNPFEDSA-N 1 3 303.450 2.386 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000341300412 403895897 /nfs/dbraw/zinc/89/58/97/403895897.db2.gz QGICIPQUABJBMX-NVXWUHKLSA-N 1 3 324.513 2.280 20 0 DEADHO [NH3+]C[C@@H](NC(=O)N1CC[C@H](N2CCCCC2)C1)C1CCCCC1 ZINC000333771988 403854460 /nfs/dbraw/zinc/85/44/60/403854460.db2.gz CEAXMUSICMPHQD-DLBZAZTESA-N 1 3 322.497 2.164 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000361793336 403870592 /nfs/dbraw/zinc/87/05/92/403870592.db2.gz WYUJJQZVAJAWLN-YESZJQIVSA-N 1 3 324.513 2.375 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000361793336 403870595 /nfs/dbraw/zinc/87/05/95/403870595.db2.gz WYUJJQZVAJAWLN-YESZJQIVSA-N 1 3 324.513 2.375 20 0 DEADHO CSc1ccc(OC[C@H](O)C[NH2+]CC[C@@H](C)N(C)C)cc1 ZINC001120583363 782008037 /nfs/dbraw/zinc/00/80/37/782008037.db2.gz VLCUIRUPRQHICV-ZIAGYGMSSA-N 1 3 312.479 2.078 20 0 DEADHO [NH3+]C[C@@H]1CCCN1C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000333829464 403875818 /nfs/dbraw/zinc/87/58/18/403875818.db2.gz SNYHLUPDOSKNPG-INIZCTEOSA-N 1 3 322.497 2.165 20 0 DEADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000344057868 403880263 /nfs/dbraw/zinc/88/02/63/403880263.db2.gz JFVQTZHYMVVFIE-HZPDHXFCSA-N 1 3 321.465 2.433 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCN(CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000351852298 403962123 /nfs/dbraw/zinc/96/21/23/403962123.db2.gz MQSJXWXSSMBXCT-YXJHDRRASA-N 1 3 315.461 2.239 20 0 DEADHO NC1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000309669823 403962271 /nfs/dbraw/zinc/96/22/71/403962271.db2.gz RXQOIJDTLRXKQZ-KRWDZBQOSA-N 1 3 315.461 2.286 20 0 DEADHO NC1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000309669823 403962273 /nfs/dbraw/zinc/96/22/73/403962273.db2.gz RXQOIJDTLRXKQZ-KRWDZBQOSA-N 1 3 315.461 2.286 20 0 DEADHO CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CCCN(CC)C1 ZINC000351769211 403907154 /nfs/dbraw/zinc/90/71/54/403907154.db2.gz KDMIZJRZDHLIOX-KRWDZBQOSA-N 1 3 324.513 2.378 20 0 DEADHO C[N@H+](CCNC(=O)c1cccc(CN2CCCCC2)c1)C1CC1 ZINC000411623202 403913810 /nfs/dbraw/zinc/91/38/10/403913810.db2.gz SKEUDCHBGHRZIS-UHFFFAOYSA-N 1 3 315.461 2.497 20 0 DEADHO C[N@@H+](CCNC(=O)c1cccc(CN2CCCCC2)c1)C1CC1 ZINC000411623202 403913816 /nfs/dbraw/zinc/91/38/16/403913816.db2.gz SKEUDCHBGHRZIS-UHFFFAOYSA-N 1 3 315.461 2.497 20 0 DEADHO C[C@H](C[NH+](C)C)NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000351825927 403944013 /nfs/dbraw/zinc/94/40/13/403944013.db2.gz CASDKNINGNCSAD-VYDXJSESSA-N 1 3 318.465 2.071 20 0 DEADHO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](CCCN2CCCCC2)C1 ZINC000295569950 403996190 /nfs/dbraw/zinc/99/61/90/403996190.db2.gz LKFMGAJMGYPGFZ-DLBZAZTESA-N 1 3 315.461 2.143 20 0 DEADHO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](CCCN2CCCCC2)C1 ZINC000295569950 403996198 /nfs/dbraw/zinc/99/61/98/403996198.db2.gz LKFMGAJMGYPGFZ-DLBZAZTESA-N 1 3 315.461 2.143 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]CC[C@@H]2CCOC2)CC1 ZINC000344280255 404027022 /nfs/dbraw/zinc/02/70/22/404027022.db2.gz VYXCSOBQXPJXIG-QGZVFWFLSA-N 1 3 317.477 2.345 20 0 DEADHO CC[C@H]1CCCN1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000354812013 404028988 /nfs/dbraw/zinc/02/89/88/404028988.db2.gz XHDYRPBRNUXVBZ-DLBZAZTESA-N 1 3 303.450 2.280 20 0 DEADHO CC[C@H]1CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000354812013 404029000 /nfs/dbraw/zinc/02/90/00/404029000.db2.gz XHDYRPBRNUXVBZ-DLBZAZTESA-N 1 3 303.450 2.280 20 0 DEADHO CC[C@H]1CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000354812013 404029006 /nfs/dbraw/zinc/02/90/06/404029006.db2.gz XHDYRPBRNUXVBZ-DLBZAZTESA-N 1 3 303.450 2.280 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000296091372 404089052 /nfs/dbraw/zinc/08/90/52/404089052.db2.gz RFSNYUZEYREBEK-MRXNPFEDSA-N 1 3 317.477 2.498 20 0 DEADHO C[N@@H+]1CCCC[C@H]1CCN1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412057036 404095307 /nfs/dbraw/zinc/09/53/07/404095307.db2.gz QAUWXSZOHLQHPP-DLBZAZTESA-N 1 3 307.482 2.338 20 0 DEADHO C[N@H+]1CCCC[C@H]1CCN1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412057036 404095311 /nfs/dbraw/zinc/09/53/11/404095311.db2.gz QAUWXSZOHLQHPP-DLBZAZTESA-N 1 3 307.482 2.338 20 0 DEADHO CC(C)[NH+](CCN(C)C(=O)N[C@H]1CCCN(C)[C@@H]1C)C(C)C ZINC000344297113 404039348 /nfs/dbraw/zinc/03/93/48/404039348.db2.gz RLXIWGYVHNOOHZ-CVEARBPZSA-N 1 3 312.502 2.229 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCCC[C@H]2C[C@@H](C)O)CC1 ZINC000337459091 404039615 /nfs/dbraw/zinc/03/96/15/404039615.db2.gz JJUSYLWYRLCQML-MSOLQXFVSA-N 1 3 311.514 2.028 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCCC[C@H]2C[C@@H](C)O)CC1 ZINC000337459091 404039618 /nfs/dbraw/zinc/03/96/18/404039618.db2.gz JJUSYLWYRLCQML-MSOLQXFVSA-N 1 3 311.514 2.028 20 0 DEADHO CCC[NH+](CCC)CCCN[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000351979066 404050706 /nfs/dbraw/zinc/05/07/06/404050706.db2.gz HJOWANRSRJQFJB-HOTGVXAUSA-N 1 3 318.527 2.444 20 0 DEADHO CCc1cccc(OC[C@H](O)C[NH2+]C[C@H](C)CN2CCCC2)c1 ZINC000320724547 404069116 /nfs/dbraw/zinc/06/91/16/404069116.db2.gz MMVQHLKACNJJOD-FUHWJXTLSA-N 1 3 320.477 2.310 20 0 DEADHO Cc1ccc2c(CC[NH2+][C@@H]3CCOC[C@H]3[C@H](C)N)c[nH]c2c1 ZINC000422847715 292302810 /nfs/dbraw/zinc/30/28/10/292302810.db2.gz RWQUVINXPXGAKE-RRQGHBQHSA-N 1 3 301.434 2.361 20 0 DEADHO CC[N@H+](C)CCNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000412123770 404145354 /nfs/dbraw/zinc/14/53/54/404145354.db2.gz PYKLTTIYCZAYIT-UHFFFAOYSA-N 1 3 303.450 2.354 20 0 DEADHO CC[N@@H+](C)CCNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000412123770 404145362 /nfs/dbraw/zinc/14/53/62/404145362.db2.gz PYKLTTIYCZAYIT-UHFFFAOYSA-N 1 3 303.450 2.354 20 0 DEADHO COc1cc(OC)c(OC)cc1C[N@H+](C)[C@H]1CCN(C)C[C@@H]1C ZINC000290496706 404192678 /nfs/dbraw/zinc/19/26/78/404192678.db2.gz OWAJCWOXRYQSTB-ZFWWWQNUSA-N 1 3 322.449 2.484 20 0 DEADHO COc1cc(OC)c(OC)cc1C[N@@H+](C)[C@H]1CCN(C)C[C@@H]1C ZINC000290496706 404192689 /nfs/dbraw/zinc/19/26/89/404192689.db2.gz OWAJCWOXRYQSTB-ZFWWWQNUSA-N 1 3 322.449 2.484 20 0 DEADHO COc1cc(OC)c(OC)cc1C[N@H+](C)[C@H]1CCN(C)C[C@H]1C ZINC000290496700 404192973 /nfs/dbraw/zinc/19/29/73/404192973.db2.gz OWAJCWOXRYQSTB-HIFRSBDPSA-N 1 3 322.449 2.484 20 0 DEADHO COc1cc(OC)c(OC)cc1C[N@@H+](C)[C@H]1CCN(C)C[C@H]1C ZINC000290496700 404192979 /nfs/dbraw/zinc/19/29/79/404192979.db2.gz OWAJCWOXRYQSTB-HIFRSBDPSA-N 1 3 322.449 2.484 20 0 DEADHO Cn1ccc(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)n1 ZINC000355068156 404195155 /nfs/dbraw/zinc/19/51/55/404195155.db2.gz VOTRDQHCDVTBKL-YZGWKJHDSA-N 1 3 324.472 2.463 20 0 DEADHO Cn1ccc(CCN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)n1 ZINC000355068156 404195160 /nfs/dbraw/zinc/19/51/60/404195160.db2.gz VOTRDQHCDVTBKL-YZGWKJHDSA-N 1 3 324.472 2.463 20 0 DEADHO Cn1ccc(CCN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)n1 ZINC000355068156 404195168 /nfs/dbraw/zinc/19/51/68/404195168.db2.gz VOTRDQHCDVTBKL-YZGWKJHDSA-N 1 3 324.472 2.463 20 0 DEADHO CC(C)OCC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000349887074 404246735 /nfs/dbraw/zinc/24/67/35/404246735.db2.gz YNLPYLUJQFGALF-NUJGCVRESA-N 1 3 312.498 2.405 20 0 DEADHO CC(C)OCC[C@H](O)CN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000349887074 404246742 /nfs/dbraw/zinc/24/67/42/404246742.db2.gz YNLPYLUJQFGALF-NUJGCVRESA-N 1 3 312.498 2.405 20 0 DEADHO CC(C)OCC[C@H](O)CN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000349887074 404246750 /nfs/dbraw/zinc/24/67/50/404246750.db2.gz YNLPYLUJQFGALF-NUJGCVRESA-N 1 3 312.498 2.405 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@@H](C)[NH2+]C1CC1)c1ccsc1 ZINC000296489179 404271900 /nfs/dbraw/zinc/27/19/00/404271900.db2.gz QLOBHHJPFAOQNC-DOMZBBRYSA-N 1 3 309.479 2.388 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H](C)[NH2+]C1CC1)c1ccsc1 ZINC000296489180 404273039 /nfs/dbraw/zinc/27/30/39/404273039.db2.gz QLOBHHJPFAOQNC-IUODEOHRSA-N 1 3 309.479 2.388 20 0 DEADHO CSC1(C[NH2+]Cc2ccnc(OCCN(C)C)c2)CCC1 ZINC000290926117 404360927 /nfs/dbraw/zinc/36/09/27/404360927.db2.gz RFNQDAVNIOPRPT-UHFFFAOYSA-N 1 3 309.479 2.397 20 0 DEADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(OC)c(O)c1 ZINC000290854797 404338801 /nfs/dbraw/zinc/33/88/01/404338801.db2.gz ZUFJFDPDBKJIRA-ZFWWWQNUSA-N 1 3 310.438 2.408 20 0 DEADHO CC[NH+](CC)CC1CCN(Cc2cnn(CCOC)c2)CC1 ZINC000350183903 404343130 /nfs/dbraw/zinc/34/31/30/404343130.db2.gz KLZHBARYGMUNHF-UHFFFAOYSA-N 1 3 308.470 2.083 20 0 DEADHO c1[nH]c2nccnc2c1CNCCC[N@@H+]1CCc2ccccc2C1 ZINC000290785110 404310983 /nfs/dbraw/zinc/31/09/83/404310983.db2.gz CPBYXOLODIAESP-UHFFFAOYSA-N 1 3 321.428 2.496 20 0 DEADHO c1[nH]c2nccnc2c1CNCCC[N@H+]1CCc2ccccc2C1 ZINC000290785110 404310984 /nfs/dbraw/zinc/31/09/84/404310984.db2.gz CPBYXOLODIAESP-UHFFFAOYSA-N 1 3 321.428 2.496 20 0 DEADHO COCCOCc1ccc(CN[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000342183189 404427207 /nfs/dbraw/zinc/42/72/07/404427207.db2.gz BEURJKTUIIKKFR-CRAIPNDOSA-N 1 3 306.450 2.279 20 0 DEADHO COCCOCc1ccc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000342183189 404427216 /nfs/dbraw/zinc/42/72/16/404427216.db2.gz BEURJKTUIIKKFR-CRAIPNDOSA-N 1 3 306.450 2.279 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCOCCOc3ccccc3)C[C@@H]21 ZINC000342151320 404403962 /nfs/dbraw/zinc/40/39/62/404403962.db2.gz XQDXTCDJBZZLDB-BPQIPLTHSA-N 1 3 304.434 2.141 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C[C@H](C)O1 ZINC000567453341 292314193 /nfs/dbraw/zinc/31/41/93/292314193.db2.gz MATNQAGSICPSGC-WTLGNFPFSA-N 1 3 318.461 2.299 20 0 DEADHO C[C@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)N(C)C1CC1 ZINC000356326259 404450629 /nfs/dbraw/zinc/45/06/29/404450629.db2.gz AZOGUUOTWCWFPU-OAHLLOKOSA-N 1 3 322.497 2.129 20 0 DEADHO CC[C@H](C)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414336806 404582507 /nfs/dbraw/zinc/58/25/07/404582507.db2.gz ZSWLOSYEXQLZAL-AWEZNQCLSA-N 1 3 303.450 2.272 20 0 DEADHO C[C@H]1CN(c2ccccc2C[N@@H+]2CC[C@H](CN(C)C)C2)CCO1 ZINC000297286062 404536025 /nfs/dbraw/zinc/53/60/25/404536025.db2.gz ANNPUYNXLYGION-DLBZAZTESA-N 1 3 317.477 2.295 20 0 DEADHO C[C@H]1CN(c2ccccc2C[N@H+]2CC[C@H](CN(C)C)C2)CCO1 ZINC000297286062 404536032 /nfs/dbraw/zinc/53/60/32/404536032.db2.gz ANNPUYNXLYGION-DLBZAZTESA-N 1 3 317.477 2.295 20 0 DEADHO C[C@H](CNC(=O)C1CC[NH+](C2CC2)CC1)N1CCCC[C@H]1C ZINC000338771004 404536816 /nfs/dbraw/zinc/53/68/16/404536816.db2.gz MAHSWRLPGMJSEN-HUUCEWRRSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCCN(C)C2CC2)C1 ZINC000352675146 404538834 /nfs/dbraw/zinc/53/88/34/404538834.db2.gz DUZIGBOVKNCGTK-HUUCEWRRSA-N 1 3 324.513 2.136 20 0 DEADHO CN(C)Cc1cnc(CNCC2CC[NH+](C3CC3)CC2)s1 ZINC000352708927 404564966 /nfs/dbraw/zinc/56/49/66/404564966.db2.gz YTVLHZOXBNFOFR-UHFFFAOYSA-N 1 3 308.495 2.169 20 0 DEADHO CCc1ccc(C[NH2+]C[C@H](C)CN2CCN(CC)CC2)cn1 ZINC000352814023 404642050 /nfs/dbraw/zinc/64/20/50/404642050.db2.gz JUDGSQGOLROTIO-INIZCTEOSA-N 1 3 304.482 2.007 20 0 DEADHO C[C@@H](CCN(C)C)[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000345199946 404608947 /nfs/dbraw/zinc/60/89/47/404608947.db2.gz GCHJYHQUTVYTAD-STQMWFEESA-N 1 3 313.467 2.049 20 0 DEADHO OC[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1CCCOC1 ZINC000414537901 404671353 /nfs/dbraw/zinc/67/13/53/404671353.db2.gz ABSWUKZJABHOLE-YJBOKZPZSA-N 1 3 310.482 2.161 20 0 DEADHO OC[C@H](NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCOC1 ZINC000414537901 404671358 /nfs/dbraw/zinc/67/13/58/404671358.db2.gz ABSWUKZJABHOLE-YJBOKZPZSA-N 1 3 310.482 2.161 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)C1 ZINC000414678692 404706929 /nfs/dbraw/zinc/70/69/29/404706929.db2.gz QVARJLWXOOKWDN-RHSMWYFYSA-N 1 3 319.424 2.160 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]2c2cccc(F)c2)C1 ZINC000414678692 404706931 /nfs/dbraw/zinc/70/69/31/404706931.db2.gz QVARJLWXOOKWDN-RHSMWYFYSA-N 1 3 319.424 2.160 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC(c3ccccc3)CC2)C1 ZINC000414678284 404707309 /nfs/dbraw/zinc/70/73/09/404707309.db2.gz KFQGRCPJNOLZKV-INIZCTEOSA-N 1 3 315.461 2.063 20 0 DEADHO CC(C)N(C)c1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cn1 ZINC000414772276 404730076 /nfs/dbraw/zinc/73/00/76/404730076.db2.gz UAMQARRYPZLDTI-CALCHBBNSA-N 1 3 302.466 2.358 20 0 DEADHO COc1ccc(C)cc1CN1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414788033 404735497 /nfs/dbraw/zinc/73/54/97/404735497.db2.gz MRPFPLMVURFHEI-MRXNPFEDSA-N 1 3 304.434 2.191 20 0 DEADHO CN(c1ccccc1CNCC(C)(C)[NH3+])C1CCN(C)CC1 ZINC000414809254 404740303 /nfs/dbraw/zinc/74/03/03/404740303.db2.gz VHCFGUKOLWIVMK-UHFFFAOYSA-N 1 3 304.482 2.044 20 0 DEADHO Cc1csc(N2CCC([NH2+][C@@H](C)[C@@H]3CCCNC3)CC2)n1 ZINC000414846304 404748129 /nfs/dbraw/zinc/74/81/29/404748129.db2.gz DXQPGTQEIMSISN-UONOGXRCSA-N 1 3 308.495 2.398 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)N(C)C ZINC000358108173 404754182 /nfs/dbraw/zinc/75/41/82/404754182.db2.gz VJWUIUVJZNDXTA-HLLBOEOZSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)N(C)C ZINC000358108173 404754184 /nfs/dbraw/zinc/75/41/84/404754184.db2.gz VJWUIUVJZNDXTA-HLLBOEOZSA-N 1 3 309.498 2.342 20 0 DEADHO CCCN1CCC[C@@H]1CNC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000358318281 404759856 /nfs/dbraw/zinc/75/98/56/404759856.db2.gz VYACFVDMRBJQEL-MRXNPFEDSA-N 1 3 310.486 2.033 20 0 DEADHO NC(C(=O)NCC1([NH+]2CCCCC2)CCCCC1)C(F)(F)F ZINC000353188043 404764593 /nfs/dbraw/zinc/76/45/93/404764593.db2.gz LLSOPGLJPBJBMF-GFCCVEGCSA-N 1 3 321.387 2.181 20 0 DEADHO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414697190 404710176 /nfs/dbraw/zinc/71/01/76/404710176.db2.gz BROJMOSVKNOBLS-NUJGCVRESA-N 1 3 315.461 2.062 20 0 DEADHO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414697190 404710180 /nfs/dbraw/zinc/71/01/80/404710180.db2.gz BROJMOSVKNOBLS-NUJGCVRESA-N 1 3 315.461 2.062 20 0 DEADHO CC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H](C)c1ccc(F)cc1 ZINC000414705909 404712969 /nfs/dbraw/zinc/71/29/69/404712969.db2.gz NZAPELYXMZPDDE-GJZGRUSLSA-N 1 3 321.440 2.406 20 0 DEADHO CC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H](C)c1ccc(F)cc1 ZINC000414705909 404712970 /nfs/dbraw/zinc/71/29/70/404712970.db2.gz NZAPELYXMZPDDE-GJZGRUSLSA-N 1 3 321.440 2.406 20 0 DEADHO C[C@@H]1C[C@H](CN2CCC[C@H](Oc3ncccc3F)C2)CC[NH2+]1 ZINC000414740909 404721444 /nfs/dbraw/zinc/72/14/44/404721444.db2.gz KHUNGPMVBQLXHM-KFWWJZLASA-N 1 3 307.413 2.452 20 0 DEADHO CC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H](C)Cc1ccsc1 ZINC000414752341 404724138 /nfs/dbraw/zinc/72/41/38/404724138.db2.gz BRXIVWBKPGLCES-GDBMZVCRSA-N 1 3 323.506 2.198 20 0 DEADHO CC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H](C)Cc1ccsc1 ZINC000414752341 404724140 /nfs/dbraw/zinc/72/41/40/404724140.db2.gz BRXIVWBKPGLCES-GDBMZVCRSA-N 1 3 323.506 2.198 20 0 DEADHO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000358865254 404778003 /nfs/dbraw/zinc/77/80/03/404778003.db2.gz MDVOAKXADYAVBY-YOEHRIQHSA-N 1 3 323.456 2.495 20 0 DEADHO [NH3+]CC1(CC(=O)NC[C@@H]2NCCc3ccccc32)CCCCC1 ZINC000375953806 404778430 /nfs/dbraw/zinc/77/84/30/404778430.db2.gz LLEAORQCPFTBHD-KRWDZBQOSA-N 1 3 315.461 2.289 20 0 DEADHO Cc1ccccc1C(C)(C)C[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000415091782 404804879 /nfs/dbraw/zinc/80/48/79/404804879.db2.gz QWGOYBFVZOZQDA-MRXNPFEDSA-N 1 3 317.477 2.060 20 0 DEADHO Cc1cc(F)ccc1CN1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000415102454 404808298 /nfs/dbraw/zinc/80/82/98/404808298.db2.gz CHHJVUHWGYXXRR-INIZCTEOSA-N 1 3 303.385 2.021 20 0 DEADHO CC(C)[N@@H+]1CCCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000434352301 404885446 /nfs/dbraw/zinc/88/54/46/404885446.db2.gz GGQGGBSQLQCMHH-KRWDZBQOSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)[N@H+]1CCCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000434352301 404885453 /nfs/dbraw/zinc/88/54/53/404885453.db2.gz GGQGGBSQLQCMHH-KRWDZBQOSA-N 1 3 322.497 2.129 20 0 DEADHO C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCN2Cc2cccc(C)c2)C1 ZINC000378185690 404886471 /nfs/dbraw/zinc/88/64/71/404886471.db2.gz YAOVVXUIZZOAMB-ROUUACIJSA-N 1 3 315.461 2.170 20 0 DEADHO C[C@H]1CCN(C(=O)Nc2ccccc2CCN(C)C)C[C@H]1C[NH3+] ZINC000415584848 404889089 /nfs/dbraw/zinc/88/90/89/404889089.db2.gz WWZWKESYEGZVTQ-GOEBONIOSA-N 1 3 318.465 2.239 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000415582480 404889391 /nfs/dbraw/zinc/88/93/91/404889391.db2.gz UGSBUQCGSUKIAL-GOSISDBHSA-N 1 3 318.465 2.302 20 0 DEADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H](N)CC(C)C ZINC000353642937 404898798 /nfs/dbraw/zinc/89/87/98/404898798.db2.gz PAXXLRGQMQPBPX-QGZVFWFLSA-N 1 3 305.466 2.470 20 0 DEADHO Cn1c2ccc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)N4C)cc2oc1=O ZINC000353471590 404839824 /nfs/dbraw/zinc/83/98/24/404839824.db2.gz MEICJSBVYNRBMM-YIONKMFJSA-N 1 3 315.417 2.189 20 0 DEADHO Cn1c2ccc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)N4C)cc2oc1=O ZINC000353471590 404839825 /nfs/dbraw/zinc/83/98/25/404839825.db2.gz MEICJSBVYNRBMM-YIONKMFJSA-N 1 3 315.417 2.189 20 0 DEADHO Cn1ccnc1[C@H](O)C1CC[NH+](CC[C@@H]2CCCCN2C)CC1 ZINC000366878563 404863078 /nfs/dbraw/zinc/86/30/78/404863078.db2.gz MMUWKASAJLYIDC-DLBZAZTESA-N 1 3 320.481 2.040 20 0 DEADHO CC[NH2+]Cc1cccc(NC(=O)N2CCCN(CC)CC2)c1 ZINC000415906708 404968627 /nfs/dbraw/zinc/96/86/27/404968627.db2.gz LGWKNNYYCLKHJL-UHFFFAOYSA-N 1 3 304.438 2.356 20 0 DEADHO CC(C)[C@@H]([NH3+])CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000416781051 404907604 /nfs/dbraw/zinc/90/76/04/404907604.db2.gz DIXJFQRLXUYUQK-IRXDYDNUSA-N 1 3 318.465 2.106 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2CCOC[C@@H](C)C2)CC1 ZINC000353704275 404931671 /nfs/dbraw/zinc/93/16/71/404931671.db2.gz AJWZXWNEYTWZQK-KRWDZBQOSA-N 1 3 317.477 2.297 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2CCOC[C@@H](C)C2)CC1 ZINC000353704275 404931676 /nfs/dbraw/zinc/93/16/76/404931676.db2.gz AJWZXWNEYTWZQK-KRWDZBQOSA-N 1 3 317.477 2.297 20 0 DEADHO CC(C)[C@@H]([NH3+])CNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000416849913 404935998 /nfs/dbraw/zinc/93/59/98/404935998.db2.gz YSHTWOIQYXSLJP-UONOGXRCSA-N 1 3 324.494 2.168 20 0 DEADHO C[C@@H](CCCC[NH3+])NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000416882138 404948606 /nfs/dbraw/zinc/94/86/06/404948606.db2.gz IBRUQOFIGFSXEP-AWEZNQCLSA-N 1 3 306.454 2.065 20 0 DEADHO C[C@@H]1CCN(C(=O)NCc2ccc(CN(C)C)cc2)[C@H](C[NH3+])C1 ZINC000416888325 404950922 /nfs/dbraw/zinc/95/09/22/404950922.db2.gz OORYQTBCZJSMBW-PBHICJAKSA-N 1 3 318.465 2.017 20 0 DEADHO CCCC[C@@H](C[NH3+])NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000416887831 404951330 /nfs/dbraw/zinc/95/13/30/404951330.db2.gz OCBVMRNBJTXPLJ-INIZCTEOSA-N 1 3 306.454 2.065 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+](C)CCCCCO)CC1 ZINC000435051400 404952554 /nfs/dbraw/zinc/95/25/54/404952554.db2.gz YONNOGDQGLYIIB-UHFFFAOYSA-N 1 3 319.493 2.423 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+](C)CCCCCO)CC1 ZINC000435051400 404952558 /nfs/dbraw/zinc/95/25/58/404952558.db2.gz YONNOGDQGLYIIB-UHFFFAOYSA-N 1 3 319.493 2.423 20 0 DEADHO CCC([NH3+])(CC)CNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000416890062 404952750 /nfs/dbraw/zinc/95/27/50/404952750.db2.gz QKYSKLKPNIIKJD-UHFFFAOYSA-N 1 3 306.454 2.065 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000417015764 405001732 /nfs/dbraw/zinc/00/17/32/405001732.db2.gz FWTXTJLZROJHTQ-RDJZCZTQSA-N 1 3 322.497 2.034 20 0 DEADHO [NH3+][C@H](CCC(=O)N1CCN2CCC[C@H]2C1)CC1CCCCC1 ZINC000424142913 405019943 /nfs/dbraw/zinc/01/99/43/405019943.db2.gz IYOIOVKSHYUGBU-SJORKVTESA-N 1 3 307.482 2.371 20 0 DEADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000382716242 405032325 /nfs/dbraw/zinc/03/23/25/405032325.db2.gz DQUWPJKRHKOGBK-XYJFISCASA-N 1 3 315.461 2.107 20 0 DEADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000424027401 404975199 /nfs/dbraw/zinc/97/51/99/404975199.db2.gz MKQJYEQKLWHXOM-NUEKZKHPSA-N 1 3 321.440 2.103 20 0 DEADHO C[NH2+]Cc1ccc(NC(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc1 ZINC000415988117 404996108 /nfs/dbraw/zinc/99/61/08/404996108.db2.gz ZSYXLKASPSXVCJ-SFHVURJKSA-N 1 3 316.449 2.356 20 0 DEADHO C[C@H]1NCCN(C(=O)NCCCCC[NH+]2CCCCC2)[C@H]1C ZINC000417716890 405093770 /nfs/dbraw/zinc/09/37/70/405093770.db2.gz UOIRYACGDKHSQV-CVEARBPZSA-N 1 3 310.486 2.034 20 0 DEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCc2ccccc2CC1 ZINC000390026347 405042658 /nfs/dbraw/zinc/04/26/58/405042658.db2.gz BLYAUUDFTWCPBG-PMACEKPBSA-N 1 3 310.441 2.018 20 0 DEADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCc2ccccc2CC1 ZINC000390026347 405042663 /nfs/dbraw/zinc/04/26/63/405042663.db2.gz BLYAUUDFTWCPBG-PMACEKPBSA-N 1 3 310.441 2.018 20 0 DEADHO C[C@@H]1CC2(CN1CC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)CC[NH2+]CC2 ZINC000424291223 405059787 /nfs/dbraw/zinc/05/97/87/405059787.db2.gz NFTNFJKTLJADIN-VQHPVUNQSA-N 1 3 321.509 2.391 20 0 DEADHO C[C@H](C1CC1)N(C(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)C1CC1 ZINC000424298033 405061449 /nfs/dbraw/zinc/06/14/49/405061449.db2.gz TUKMTJJYDPYBBB-HUUCEWRRSA-N 1 3 319.493 2.240 20 0 DEADHO [NH3+]C[C@@H](CN1CCC(n2ccnc2)CC1)c1ccc(F)cc1 ZINC000424305254 405064549 /nfs/dbraw/zinc/06/45/49/405064549.db2.gz RWWZZTYSUWQKQV-HNNXBMFYSA-N 1 3 302.397 2.402 20 0 DEADHO NC[C@@H](C[NH+]1CCC(n2ccnc2)CC1)c1ccc(F)cc1 ZINC000424305254 405064556 /nfs/dbraw/zinc/06/45/56/405064556.db2.gz RWWZZTYSUWQKQV-HNNXBMFYSA-N 1 3 302.397 2.402 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000417218610 405065489 /nfs/dbraw/zinc/06/54/89/405065489.db2.gz HFWWLEAACBSSJK-HLLBOEOZSA-N 1 3 318.465 2.249 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2C[C@@H](C)NC[C@H]2C)C1 ZINC000417224677 405067967 /nfs/dbraw/zinc/06/79/67/405067967.db2.gz VPEZWQJCPSJWPD-QKPAOTATSA-N 1 3 324.513 2.135 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2C[C@@H](C)NC[C@H]2C)C1 ZINC000417224677 405067968 /nfs/dbraw/zinc/06/79/68/405067968.db2.gz VPEZWQJCPSJWPD-QKPAOTATSA-N 1 3 324.513 2.135 20 0 DEADHO C[NH+](C)CCOCCNCc1ccc(OC(F)F)c(F)c1 ZINC000354188188 405088569 /nfs/dbraw/zinc/08/85/69/405088569.db2.gz DQJVHMJGMPFVRY-UHFFFAOYSA-N 1 3 306.328 2.095 20 0 DEADHO CC(C)(C[NH3+])NC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000418171656 405114604 /nfs/dbraw/zinc/11/46/04/405114604.db2.gz OKLUPKAJTYQURY-UHFFFAOYSA-N 1 3 310.486 2.069 20 0 DEADHO C[C@@H]1CCCC[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000424629280 405132331 /nfs/dbraw/zinc/13/23/31/405132331.db2.gz OILHPMAYOHLXSK-CRAIPNDOSA-N 1 3 321.509 2.488 20 0 DEADHO O=C(NCCC[NH2+]C1CC1)C1CCN(Cc2ccccc2)CC1 ZINC000568396698 292338346 /nfs/dbraw/zinc/33/83/46/292338346.db2.gz TWDHVWTUNSFYTH-UHFFFAOYSA-N 1 3 315.461 2.157 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000418657818 405155092 /nfs/dbraw/zinc/15/50/92/405155092.db2.gz UZJVGLVHFVTLNN-SJORKVTESA-N 1 3 320.481 2.264 20 0 DEADHO CC[NH2+]CC1CCN(CCOc2cccc(C(=O)OC)c2)CC1 ZINC000420292532 405308653 /nfs/dbraw/zinc/30/86/53/405308653.db2.gz PMTQTJBUUWSTNQ-UHFFFAOYSA-N 1 3 320.433 2.174 20 0 DEADHO CCOc1ccccc1NC(=O)CCN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000420290989 405308737 /nfs/dbraw/zinc/30/87/37/405308737.db2.gz MUWOYITYPXFKQC-LSDHHAIUSA-N 1 3 319.449 2.473 20 0 DEADHO CCOC[C@@H]1CCCN(C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420312359 405315474 /nfs/dbraw/zinc/31/54/74/405315474.db2.gz WUDWBGBRVRYCNW-WBVHZDCISA-N 1 3 306.450 2.486 20 0 DEADHO C[NH2+]CCC1CCN([C@@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000420317727 405317002 /nfs/dbraw/zinc/31/70/02/405317002.db2.gz ZVNQDOVQBKPLCK-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO FC(F)C(F)(F)COCCN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420332669 405322835 /nfs/dbraw/zinc/32/28/35/405322835.db2.gz GUSSTZPZEBHPPZ-LBPRGKRZSA-N 1 3 312.351 2.367 20 0 DEADHO CC[C@H](F)CN1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000440691054 405322984 /nfs/dbraw/zinc/32/29/84/405322984.db2.gz HTFCXVAMGARPQW-INIZCTEOSA-N 1 3 315.477 2.295 20 0 DEADHO CC1(C)CNCC[C@@H]1[NH2+]CCCOc1ccc2c(c1)OCO2 ZINC000420364360 405333222 /nfs/dbraw/zinc/33/32/22/405333222.db2.gz OUDABPKWYVJMEZ-INIZCTEOSA-N 1 3 306.406 2.162 20 0 DEADHO CC1(C)C[NH2+]CC[C@@H]1NCCCOc1ccc2c(c1)OCO2 ZINC000420364360 405333225 /nfs/dbraw/zinc/33/32/25/405333225.db2.gz OUDABPKWYVJMEZ-INIZCTEOSA-N 1 3 306.406 2.162 20 0 DEADHO c1ccc2c(c1)cncc2N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420374505 405336767 /nfs/dbraw/zinc/33/67/67/405336767.db2.gz NWUXFXZXIIRFAC-INIZCTEOSA-N 1 3 310.445 2.356 20 0 DEADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCCCOc1ccc2c(c1)OCO2 ZINC000420381249 405338930 /nfs/dbraw/zinc/33/89/30/405338930.db2.gz ZCGGHMOGSSJVJO-XNJGSVPQSA-N 1 3 306.406 2.160 20 0 DEADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(CCOc2ccccc2)CC1 ZINC000420382968 405339206 /nfs/dbraw/zinc/33/92/06/405339206.db2.gz QCHUKXHWXOMXKQ-ZWKOTPCHSA-N 1 3 304.434 2.284 20 0 DEADHO Cc1ncsc1CCN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420383532 405340005 /nfs/dbraw/zinc/34/00/05/405340005.db2.gz QXNQTPZHIGZGLX-GDBMZVCRSA-N 1 3 309.479 2.212 20 0 DEADHO C[C@H]1CCN(CCCOc2ccc3c(c2)OCO3)C[C@@H]1C[NH3+] ZINC000420408812 405345950 /nfs/dbraw/zinc/34/59/50/405345950.db2.gz PYZHQXIGVAFJOL-KBPBESRZSA-N 1 3 306.406 2.101 20 0 DEADHO CCN1CC[C@@H]([NH2+]Cc2cc3ccccc3n(C)c2=O)[C@@H](C)C1 ZINC000426354628 405353496 /nfs/dbraw/zinc/35/34/96/405353496.db2.gz UOOZCDAHRITQGG-WMLDXEAASA-N 1 3 313.445 2.358 20 0 DEADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@@]3(C)CCC(=O)N3)CC2)C1 ZINC000453406466 405291830 /nfs/dbraw/zinc/29/18/30/405291830.db2.gz QZSCTKCVHJSBTK-QGPMSJSTSA-N 1 3 307.482 2.288 20 0 DEADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C[C@@]3(C)CCC(=O)N3)CC2)C1 ZINC000453406466 405291831 /nfs/dbraw/zinc/29/18/31/405291831.db2.gz QZSCTKCVHJSBTK-QGPMSJSTSA-N 1 3 307.482 2.288 20 0 DEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000420789811 405385179 /nfs/dbraw/zinc/38/51/79/405385179.db2.gz YGNNJISMJXCABO-IRXDYDNUSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000420789811 405385181 /nfs/dbraw/zinc/38/51/81/405385181.db2.gz YGNNJISMJXCABO-IRXDYDNUSA-N 1 3 324.513 2.234 20 0 DEADHO O=C(C[C@H]1CCC[NH2+]CC1)N1CCN(CC2CCCCC2)CC1 ZINC000427319188 405399329 /nfs/dbraw/zinc/39/93/29/405399329.db2.gz GTJMREFSMZKBQV-KRWDZBQOSA-N 1 3 321.509 2.491 20 0 DEADHO CN(C)Cc1ccc(-c2noc(CC[C@H]3CCC[NH2+]3)n2)cc1 ZINC000427554661 405411883 /nfs/dbraw/zinc/41/18/83/405411883.db2.gz SPROGHZCUVCSCN-OAHLLOKOSA-N 1 3 300.406 2.483 20 0 DEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H](C)N(C)C1CC1 ZINC000454670629 405376060 /nfs/dbraw/zinc/37/60/60/405376060.db2.gz YWOYLLXSVWBTSB-HOTGVXAUSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H](N[C@H](CO)CC(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000429455969 405431653 /nfs/dbraw/zinc/43/16/53/405431653.db2.gz SLNFIAJZRAYENT-OCCSQVGLSA-N 1 3 316.392 2.294 20 0 DEADHO CN(C[C@H]1CCCN1C)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000421101732 405447220 /nfs/dbraw/zinc/44/72/20/405447220.db2.gz REEIPLQCLZCFNZ-MRXNPFEDSA-N 1 3 318.465 2.349 20 0 DEADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000430586043 405462608 /nfs/dbraw/zinc/46/26/08/405462608.db2.gz XVDFZOHMWQIQEM-INIZCTEOSA-N 1 3 317.477 2.355 20 0 DEADHO C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC(C[NH3+])CC1 ZINC000430592631 405462975 /nfs/dbraw/zinc/46/29/75/405462975.db2.gz NMWAPYICDBLJOY-ZDUSSCGKSA-N 1 3 307.413 2.016 20 0 DEADHO COCCC[NH+]1CCC(NC[C@@H](Cc2ccccc2)OC)CC1 ZINC000638481340 405497928 /nfs/dbraw/zinc/49/79/28/405497928.db2.gz GTAUKVXTTMASHB-LJQANCHMSA-N 1 3 320.477 2.335 20 0 DEADHO CN(C)CCOc1ccccc1C[NH2+]CCCc1cnn(C)c1 ZINC000638445652 405475309 /nfs/dbraw/zinc/47/53/09/405475309.db2.gz QVKAANLVHXWSCQ-UHFFFAOYSA-N 1 3 316.449 2.083 20 0 DEADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1c2ccccc2C(=O)N1C ZINC000528007371 405477866 /nfs/dbraw/zinc/47/78/66/405477866.db2.gz URZLMSVOXRVCAQ-UTJXIGIESA-N 1 3 301.434 2.132 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C3CCC3)C[C@H](C)C2)CC[N@@H+]1C ZINC000633182956 405489784 /nfs/dbraw/zinc/48/97/84/405489784.db2.gz UQWUXRAZQOJTFC-BHYGNILZSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C3CCC3)C[C@H](C)C2)CC[N@H+]1C ZINC000633182956 405489789 /nfs/dbraw/zinc/48/97/89/405489789.db2.gz UQWUXRAZQOJTFC-BHYGNILZSA-N 1 3 307.482 2.050 20 0 DEADHO O=C(N[C@@H]1CCN(CC2CCCC2)C1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000430781001 405507220 /nfs/dbraw/zinc/50/72/20/405507220.db2.gz QVICZUZFYSMYPX-MLHJIOFPSA-N 1 3 319.493 2.288 20 0 DEADHO CC(C)N1CC[C@@H](N(C)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000458633374 405513499 /nfs/dbraw/zinc/51/34/99/405513499.db2.gz CFLCSHQNPYVJAD-IAGOWNOFSA-N 1 3 324.513 2.375 20 0 DEADHO C[C@@H](CC(=O)NCCN1[C@H](C)CCC[C@@H]1C)C1CC[NH2+]CC1 ZINC000430886869 405520663 /nfs/dbraw/zinc/52/06/63/405520663.db2.gz CLMVCRMALAUMIN-HRCADAONSA-N 1 3 309.498 2.391 20 0 DEADHO O=C(Nc1ccc2c(c1)OCC[NH2+]C2)c1ccc2c(c1)CNC2 ZINC000638670167 405607095 /nfs/dbraw/zinc/60/70/95/405607095.db2.gz CDWCZXYAESWWTB-UHFFFAOYSA-N 1 3 309.369 2.024 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)NC(C)(C)C[NH+](C)C)c1ccco1 ZINC000458776427 405586003 /nfs/dbraw/zinc/58/60/03/405586003.db2.gz RZZDIBQKKXNPBA-KBPBESRZSA-N 1 3 324.469 2.348 20 0 DEADHO C[C@@H]1CN(C(=O)N[C@H](C[NH3+])C2CCCC2)CCN(C2CCC2)C1 ZINC000557218766 405587104 /nfs/dbraw/zinc/58/71/04/405587104.db2.gz AJPZVSHZPQUPAS-WMLDXEAASA-N 1 3 322.497 2.020 20 0 DEADHO C[C@@H](NC1CC1)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000449505694 405587723 /nfs/dbraw/zinc/58/77/23/405587723.db2.gz ROWDMZWDYHKWLT-MRVPVSSYSA-N 1 3 301.312 2.243 20 0 DEADHO C[C@@H]([NH3+])C(=O)N[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000638663998 405602495 /nfs/dbraw/zinc/60/24/95/405602495.db2.gz KRPYAHWQEODQJF-PRHODGIISA-N 1 3 304.221 2.060 20 0 DEADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000449646904 405657502 /nfs/dbraw/zinc/65/75/02/405657502.db2.gz OUJNTDVNUOUALI-GUDXXQAFSA-N 1 3 321.440 2.008 20 0 DEADHO Cc1cc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1-n1cncn1 ZINC000558423725 405657835 /nfs/dbraw/zinc/65/78/35/405657835.db2.gz OVCYRVNZBJCMBB-RDJZCZTQSA-N 1 3 313.449 2.348 20 0 DEADHO Cc1cc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)ccc1-n1cncn1 ZINC000558423725 405657844 /nfs/dbraw/zinc/65/78/44/405657844.db2.gz OVCYRVNZBJCMBB-RDJZCZTQSA-N 1 3 313.449 2.348 20 0 DEADHO NCc1ccc2c(c1)N(C(=O)CC1(C[NH3+])CCCCC1)CCO2 ZINC000638806960 405681418 /nfs/dbraw/zinc/68/14/18/405681418.db2.gz ZAZITMILPUXEAN-UHFFFAOYSA-N 1 3 317.433 2.170 20 0 DEADHO C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1)[C@@H]1CCCCN1 ZINC000423073321 405700128 /nfs/dbraw/zinc/70/01/28/405700128.db2.gz INUCPKYHWBUOBP-MGHWNKPDSA-N 1 3 306.425 2.412 20 0 DEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000423067131 405700266 /nfs/dbraw/zinc/70/02/66/405700266.db2.gz YNXGDWVFSUCFMG-TZMCWYRMSA-N 1 3 307.404 2.238 20 0 DEADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCN(C(=O)C1CCC1)C1CC1 ZINC000422958783 405693582 /nfs/dbraw/zinc/69/35/82/405693582.db2.gz PYDPEEWJCJRRTR-WMLDXEAASA-N 1 3 307.482 2.145 20 0 DEADHO C[C@H](c1ccncc1)N1CCC(N[C@@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000422971482 405693872 /nfs/dbraw/zinc/69/38/72/405693872.db2.gz YKUMRSHLQQWBPJ-DAYGRLMNSA-N 1 3 302.466 2.337 20 0 DEADHO C[C@H]([NH3+])CC(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000638830320 405698365 /nfs/dbraw/zinc/69/83/65/405698365.db2.gz OCVFERNHYSBVSV-GWCFXTLKSA-N 1 3 317.355 2.162 20 0 DEADHO Fc1ccc2c(c1)[C@@H](NCCCN1CC[NH2+]CC1)CCS2 ZINC000423177606 405712020 /nfs/dbraw/zinc/71/20/20/405712020.db2.gz JDEVNNWWKLOJQH-HNNXBMFYSA-N 1 3 309.454 2.248 20 0 DEADHO C[C@@H]([NH2+]C1CCNCC1)c1ccc(OCc2nccn2C)cc1 ZINC000423176695 405712202 /nfs/dbraw/zinc/71/22/02/405712202.db2.gz CPFMCQDNEUUINN-CQSZACIVSA-N 1 3 314.433 2.402 20 0 DEADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H](N)C(C)(C)C ZINC000638834642 405702791 /nfs/dbraw/zinc/70/27/91/405702791.db2.gz HTEGDDBVNXZJKB-USXIJHARSA-N 1 3 317.477 2.244 20 0 DEADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H](N)C(C)(C)C ZINC000638834642 405702798 /nfs/dbraw/zinc/70/27/98/405702798.db2.gz HTEGDDBVNXZJKB-USXIJHARSA-N 1 3 317.477 2.244 20 0 DEADHO CC[C@@H]1C[C@H]1CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000459030311 405704552 /nfs/dbraw/zinc/70/45/52/405704552.db2.gz RUCMMPQRXWCDNE-IKGGRYGDSA-N 1 3 324.513 2.090 20 0 DEADHO CC[C@@H]1C[C@H]1CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000459030311 405704554 /nfs/dbraw/zinc/70/45/54/405704554.db2.gz RUCMMPQRXWCDNE-IKGGRYGDSA-N 1 3 324.513 2.090 20 0 DEADHO Cc1cc(C)c2c(c1)[C@H](NCCN1CC[NH2+]CC1)CCCO2 ZINC000423203426 405721097 /nfs/dbraw/zinc/72/10/97/405721097.db2.gz MPTFYYPFLMZPFS-QGZVFWFLSA-N 1 3 303.450 2.012 20 0 DEADHO CC1([NH+]2CCCC2)CCN(C(=O)C2(N)CC3(CCC3)C2)CC1 ZINC000638860884 405722236 /nfs/dbraw/zinc/72/22/36/405722236.db2.gz JDYVIWKWNFYGIW-UHFFFAOYSA-N 1 3 305.466 2.125 20 0 DEADHO CCC1([NH+]2CCCC2)CCN(C(=O)[C@H]2C[C@H](C)CCN2)CC1 ZINC000638862026 405723838 /nfs/dbraw/zinc/72/38/38/405723838.db2.gz JWQOOVJTAJAVSJ-HZPDHXFCSA-N 1 3 307.482 2.242 20 0 DEADHO CCC1([NH+]2CCCC2)CCN(C(=O)[C@@H]2C[C@H](C)CCN2)CC1 ZINC000638862024 405724009 /nfs/dbraw/zinc/72/40/09/405724009.db2.gz JWQOOVJTAJAVSJ-CVEARBPZSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](O)COc2ccc(F)cc2)C1 ZINC000582415204 405724076 /nfs/dbraw/zinc/72/40/76/405724076.db2.gz FUHANFQQEWHBRQ-WBVHZDCISA-N 1 3 324.440 2.275 20 0 DEADHO COc1cc2nccc(NC[C@@H]3CCC[N@H+](C)C3)c2cc1OC ZINC000583427585 405736741 /nfs/dbraw/zinc/73/67/41/405736741.db2.gz BLXWMJVBHPSBIA-ZDUSSCGKSA-N 1 3 315.417 2.428 20 0 DEADHO COc1cc2nccc(NC[C@@H]3CCC[N@@H+](C)C3)c2cc1OC ZINC000583427585 405736751 /nfs/dbraw/zinc/73/67/51/405736751.db2.gz BLXWMJVBHPSBIA-ZDUSSCGKSA-N 1 3 315.417 2.428 20 0 DEADHO C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccc2c(c1)OCC(=O)N2 ZINC000423273168 405744768 /nfs/dbraw/zinc/74/47/68/405744768.db2.gz IQJUQXUFGKHUKN-IACUBPJLSA-N 1 3 303.406 2.186 20 0 DEADHO C(C[NH2+]C1CCCCCC1)N[C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000423283426 405747294 /nfs/dbraw/zinc/74/72/94/405747294.db2.gz WCZMNMQBLTZBHQ-RCCFBDPRSA-N 1 3 309.498 2.046 20 0 DEADHO C[C@@H]1CCN[C@@H](C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000423310235 405756309 /nfs/dbraw/zinc/75/63/09/405756309.db2.gz NFCBTSHXEAHILL-CRAIPNDOSA-N 1 3 315.461 2.287 20 0 DEADHO CN(C)Cc1cccc(CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000423310654 405757011 /nfs/dbraw/zinc/75/70/11/405757011.db2.gz AONSWFLQMOTOOT-INIZCTEOSA-N 1 3 303.450 2.143 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CC2(C[NH3+])CC2)C1 ZINC000423361740 405776122 /nfs/dbraw/zinc/77/61/22/405776122.db2.gz MMXZNWDGQBJRKA-ZBFHGGJFSA-N 1 3 301.434 2.067 20 0 DEADHO [NH3+]CC1(CC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CC1 ZINC000423365183 405778308 /nfs/dbraw/zinc/77/83/08/405778308.db2.gz WEJLRKPFDMRTPJ-CQSZACIVSA-N 1 3 321.490 2.205 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)CC1(C[NH3+])CC1)c1ccccc1 ZINC000423376616 405782106 /nfs/dbraw/zinc/78/21/06/405782106.db2.gz JNAJAIMXWAJPEF-AWEZNQCLSA-N 1 3 303.450 2.361 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)c1ccccc1CC[NH2+]C ZINC000423373241 405782160 /nfs/dbraw/zinc/78/21/60/405782160.db2.gz IZPWNQSCANKAMF-INIZCTEOSA-N 1 3 303.450 2.053 20 0 DEADHO C[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000423385337 405785686 /nfs/dbraw/zinc/78/56/86/405785686.db2.gz QTMCUIDVAVZYLA-RHSMWYFYSA-N 1 3 301.434 2.407 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)CS1 ZINC000638976143 405791057 /nfs/dbraw/zinc/79/10/57/405791057.db2.gz FPARBDVWAMRAIW-COXVUDFISA-N 1 3 306.475 2.237 20 0 DEADHO C[C@@H]1CCN[C@H](C(=O)Nc2cccc(OCCC[NH+](C)C)c2)C1 ZINC000423408793 405794331 /nfs/dbraw/zinc/79/43/31/405794331.db2.gz PBBUAPUYBURFCD-PBHICJAKSA-N 1 3 319.449 2.344 20 0 DEADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](c1nc[nH]n1)C1CCCCC1 ZINC000495054792 405807725 /nfs/dbraw/zinc/80/77/25/405807725.db2.gz WXAIZQROZANHNV-HOTGVXAUSA-N 1 3 323.485 2.373 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)C[C@@H]3CCC[C@H]3[NH3+])C2)cc1 ZINC000639002121 405813863 /nfs/dbraw/zinc/81/38/63/405813863.db2.gz WWMDUYABMJLJCG-OKZBNKHCSA-N 1 3 315.461 2.203 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CC34CC4)CC2)CC1 ZINC000584063702 405818681 /nfs/dbraw/zinc/81/86/81/405818681.db2.gz ZLXHOBNBAWYMGW-MRXNPFEDSA-N 1 3 319.493 2.099 20 0 DEADHO CC1(C)[C@H]([NH2+]C[C@@H]2CNCCCO2)C[C@H]1OCc1ccccc1 ZINC000423486202 405822411 /nfs/dbraw/zinc/82/24/11/405822411.db2.gz BQFWSJCDTLCGTJ-RCCFBDPRSA-N 1 3 318.461 2.338 20 0 DEADHO C[NH2+]CCC1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000423484752 405822757 /nfs/dbraw/zinc/82/27/57/405822757.db2.gz AFEDDJMSKDIPRD-UHFFFAOYSA-N 1 3 303.450 2.210 20 0 DEADHO C[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccc(OCc2nccn2C)cc1 ZINC000423328773 405764050 /nfs/dbraw/zinc/76/40/50/405764050.db2.gz SHDLNBZBONEXRY-DYVFJYSZSA-N 1 3 314.433 2.387 20 0 DEADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2CCOC[C@H]2C)cc1 ZINC000423339303 405767747 /nfs/dbraw/zinc/76/77/47/405767747.db2.gz SGDBWTINLGVENW-RNJTYBCJSA-N 1 3 304.434 2.155 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H]2[NH2+]CCCC2(C)C)N(C)C)cc1 ZINC000423348441 405771635 /nfs/dbraw/zinc/77/16/35/405771635.db2.gz UBFFLMZQUCNFGQ-DLBZAZTESA-N 1 3 317.477 2.492 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000433127503 405873500 /nfs/dbraw/zinc/87/35/00/405873500.db2.gz IDVDWTVOTZRDGI-HNNXBMFYSA-N 1 3 318.465 2.362 20 0 DEADHO CC(C)[C@@H](C[NH3+])C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000433137847 405877125 /nfs/dbraw/zinc/87/71/25/405877125.db2.gz VFVZRRBMAWNZAN-GOSISDBHSA-N 1 3 317.477 2.041 20 0 DEADHO CC(C)[C@@H](C[NH3+])C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000433178468 405887360 /nfs/dbraw/zinc/88/73/60/405887360.db2.gz RXSXNYGFOLVLKH-GFCCVEGCSA-N 1 3 303.328 2.334 20 0 DEADHO CC(C)N1CC[C@H](N(C)C(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC000457418268 405834792 /nfs/dbraw/zinc/83/47/92/405834792.db2.gz GVKUFORVWIVGSN-INIZCTEOSA-N 1 3 312.502 2.229 20 0 DEADHO [NH3+]C[C@@H](C(=O)N1CCN(C2CCCCC2)CC1)c1ccccc1 ZINC000423716501 405925806 /nfs/dbraw/zinc/92/58/06/405925806.db2.gz XESYZGFKXLLSAN-GOSISDBHSA-N 1 3 315.461 2.206 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000423736653 405936393 /nfs/dbraw/zinc/93/63/93/405936393.db2.gz DCMVQZPCDBKSBK-IAGOWNOFSA-N 1 3 303.450 2.224 20 0 DEADHO C[C@@H]([NH3+])CCC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000423744494 405940855 /nfs/dbraw/zinc/94/08/55/405940855.db2.gz LJNBAXVVAWBWQG-CYBMUJFWSA-N 1 3 311.857 2.358 20 0 DEADHO CN(C)CCC[NH+](CCCN(C)C)CC1CCSCC1 ZINC000639168294 405942248 /nfs/dbraw/zinc/94/22/48/405942248.db2.gz PFTDSVDHPFJLGY-UHFFFAOYSA-N 1 3 301.544 2.335 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(CO)cc1 ZINC000639170958 405943981 /nfs/dbraw/zinc/94/39/81/405943981.db2.gz MFNCLJIYICYPSG-LJQANCHMSA-N 1 3 319.493 2.027 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(CO)cc1 ZINC000639170958 405943983 /nfs/dbraw/zinc/94/39/83/405943983.db2.gz MFNCLJIYICYPSG-LJQANCHMSA-N 1 3 319.493 2.027 20 0 DEADHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[C@H](N)c1ccccc1 ZINC000423752493 405946168 /nfs/dbraw/zinc/94/61/68/405946168.db2.gz ASQMEWOYAMZXGP-ZACQAIPSSA-N 1 3 301.434 2.162 20 0 DEADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C[C@H](N)c1ccccc1 ZINC000423752493 405946175 /nfs/dbraw/zinc/94/61/75/405946175.db2.gz ASQMEWOYAMZXGP-ZACQAIPSSA-N 1 3 301.434 2.162 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000423752057 405946900 /nfs/dbraw/zinc/94/69/00/405946900.db2.gz ZMMHZQJRVITFJV-MRXNPFEDSA-N 1 3 317.477 2.486 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000433551744 405958319 /nfs/dbraw/zinc/95/83/19/405958319.db2.gz WRJXEKYWACBYEN-QGZVFWFLSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000457709822 405963457 /nfs/dbraw/zinc/96/34/57/405963457.db2.gz NDMWJBVMMDMANW-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO CN(C)C[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000423780108 405963653 /nfs/dbraw/zinc/96/36/53/405963653.db2.gz WGZNDYOEVSMGTJ-QEJZJMRPSA-N 1 3 309.841 2.186 20 0 DEADHO CN1CC[C@H]2[C@@H](CCCN2C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000423781547 405965067 /nfs/dbraw/zinc/96/50/67/405965067.db2.gz KZIWFEWJAYHEQK-ROYPNMTOSA-N 1 3 319.493 2.083 20 0 DEADHO CN1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000531151933 405916015 /nfs/dbraw/zinc/91/60/15/405916015.db2.gz XNKWCJDHHFQHCE-HOTGVXAUSA-N 1 3 307.482 2.099 20 0 DEADHO CN1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000531151933 405916018 /nfs/dbraw/zinc/91/60/18/405916018.db2.gz XNKWCJDHHFQHCE-HOTGVXAUSA-N 1 3 307.482 2.099 20 0 DEADHO CCN1CCC([N@@H+]2CCCN(Cc3ccns3)CC2)CC1 ZINC000639275500 406016695 /nfs/dbraw/zinc/01/66/95/406016695.db2.gz JEKZXLLLUMURGS-UHFFFAOYSA-N 1 3 308.495 2.135 20 0 DEADHO CCN1CCC([N@H+]2CCCN(Cc3ccns3)CC2)CC1 ZINC000639275500 406016699 /nfs/dbraw/zinc/01/66/99/406016699.db2.gz JEKZXLLLUMURGS-UHFFFAOYSA-N 1 3 308.495 2.135 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000423806412 405983632 /nfs/dbraw/zinc/98/36/32/405983632.db2.gz UKJZTENFNCSVGL-IAGOWNOFSA-N 1 3 321.440 2.105 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000423806412 405983640 /nfs/dbraw/zinc/98/36/40/405983640.db2.gz UKJZTENFNCSVGL-IAGOWNOFSA-N 1 3 321.440 2.105 20 0 DEADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433915453 405998947 /nfs/dbraw/zinc/99/89/47/405998947.db2.gz PTSJXJIUCFNNAX-RDJZCZTQSA-N 1 3 322.497 2.177 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000462634378 406086721 /nfs/dbraw/zinc/08/67/21/406086721.db2.gz YFIFKFVCFRNDIX-OAGGEKHMSA-N 1 3 312.502 2.088 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000462634378 406086728 /nfs/dbraw/zinc/08/67/28/406086728.db2.gz YFIFKFVCFRNDIX-OAGGEKHMSA-N 1 3 312.502 2.088 20 0 DEADHO CCc1oc(CNCC[C@@H]2CCC[N@H+](C)C2)cc1C(=O)OC ZINC000459796865 406050164 /nfs/dbraw/zinc/05/01/64/406050164.db2.gz WOJKHZAUBPPZSJ-ZDUSSCGKSA-N 1 3 308.422 2.450 20 0 DEADHO CCc1oc(CNCC[C@@H]2CCC[N@@H+](C)C2)cc1C(=O)OC ZINC000459796865 406050169 /nfs/dbraw/zinc/05/01/69/406050169.db2.gz WOJKHZAUBPPZSJ-ZDUSSCGKSA-N 1 3 308.422 2.450 20 0 DEADHO CO[C@]1(C[NH2+]C[C@H]2CN(Cc3ccccc3)C[C@H]2C)CCOC1 ZINC000639360521 406064423 /nfs/dbraw/zinc/06/44/23/406064423.db2.gz XASFMUUNBLWNLT-NEWSRXKRSA-N 1 3 318.461 2.150 20 0 DEADHO CO[C@]1(CNC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CCOC1 ZINC000639360521 406064429 /nfs/dbraw/zinc/06/44/29/406064429.db2.gz XASFMUUNBLWNLT-NEWSRXKRSA-N 1 3 318.461 2.150 20 0 DEADHO CO[C@]1(CNC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCOC1 ZINC000639360521 406064432 /nfs/dbraw/zinc/06/44/32/406064432.db2.gz XASFMUUNBLWNLT-NEWSRXKRSA-N 1 3 318.461 2.150 20 0 DEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000565593461 406074217 /nfs/dbraw/zinc/07/42/17/406074217.db2.gz XGAAMDXWTYCCIH-UGUYLWEFSA-N 1 3 316.511 2.243 20 0 DEADHO Cc1cccc(CN2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC000634276302 406077714 /nfs/dbraw/zinc/07/77/14/406077714.db2.gz TXSDSHHPHDOKAE-KBAYOESNSA-N 1 3 315.461 2.026 20 0 DEADHO Cc1cccc(CN2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC000634276302 406077719 /nfs/dbraw/zinc/07/77/19/406077719.db2.gz TXSDSHHPHDOKAE-KBAYOESNSA-N 1 3 315.461 2.026 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1)[NH+](C)C ZINC000634276088 406078214 /nfs/dbraw/zinc/07/82/14/406078214.db2.gz WKWYUXWUYLTOCD-DLBZAZTESA-N 1 3 303.450 2.026 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)cc1 ZINC000634458009 406139661 /nfs/dbraw/zinc/13/96/61/406139661.db2.gz MKDXHEOGAJRAST-WMZOPIPTSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)cc1 ZINC000634458009 406139663 /nfs/dbraw/zinc/13/96/63/406139663.db2.gz MKDXHEOGAJRAST-WMZOPIPTSA-N 1 3 315.461 2.027 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC000484686515 406181360 /nfs/dbraw/zinc/18/13/60/406181360.db2.gz CASDKNINGNCSAD-UXLLHSPISA-N 1 3 318.465 2.071 20 0 DEADHO C(=C/c1ccncc1)\C[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000487314777 406223420 /nfs/dbraw/zinc/22/34/20/406223420.db2.gz GVNLZMZJTFAOOV-WZHGYECESA-N 1 3 301.434 2.185 20 0 DEADHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2C)C1 ZINC000519636326 406225988 /nfs/dbraw/zinc/22/59/88/406225988.db2.gz DFDBALYNHVPJLS-IRXDYDNUSA-N 1 3 306.450 2.056 20 0 DEADHO O[C@H]1CCCC[C@@H]1CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000519698453 406236316 /nfs/dbraw/zinc/23/63/16/406236316.db2.gz NGJBXPSRWLGOMY-WMEZAQDKSA-N 1 3 316.445 2.383 20 0 DEADHO CC[NH+](CC)CCCNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000487537890 406243577 /nfs/dbraw/zinc/24/35/77/406243577.db2.gz LFRVTJICOTVYDZ-GVDBMIGSSA-N 1 3 324.513 2.090 20 0 DEADHO COC[C@](C)(CO)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000639957196 406332539 /nfs/dbraw/zinc/33/25/39/406332539.db2.gz KXYBJHDIDFFQGO-SFHVURJKSA-N 1 3 306.450 2.160 20 0 DEADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(CCN1CCCCCC1)C1CCC1 ZINC000488871039 406357443 /nfs/dbraw/zinc/35/74/43/406357443.db2.gz PCUFFBFVJBKFTC-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCN1CCCCCC1)C1CCC1 ZINC000488871039 406357444 /nfs/dbraw/zinc/35/74/44/406357444.db2.gz PCUFFBFVJBKFTC-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000520578124 406303261 /nfs/dbraw/zinc/30/32/61/406303261.db2.gz VHMPGJWZMCPOAS-LVDPKSTMSA-N 1 3 310.486 2.018 20 0 DEADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000545305984 406312166 /nfs/dbraw/zinc/31/21/66/406312166.db2.gz HGWJFAVGXFANCR-ZWKOTPCHSA-N 1 3 317.477 2.211 20 0 DEADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000545305984 406312170 /nfs/dbraw/zinc/31/21/70/406312170.db2.gz HGWJFAVGXFANCR-ZWKOTPCHSA-N 1 3 317.477 2.211 20 0 DEADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000545305981 406312758 /nfs/dbraw/zinc/31/27/58/406312758.db2.gz HGWJFAVGXFANCR-MSOLQXFVSA-N 1 3 317.477 2.211 20 0 DEADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000545305981 406312760 /nfs/dbraw/zinc/31/27/60/406312760.db2.gz HGWJFAVGXFANCR-MSOLQXFVSA-N 1 3 317.477 2.211 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)CC1 ZINC000640103040 406393760 /nfs/dbraw/zinc/39/37/60/406393760.db2.gz VRTRUBKAZPWHGB-OTWHNJEPSA-N 1 3 323.525 2.028 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)CC1 ZINC000640103040 406393761 /nfs/dbraw/zinc/39/37/61/406393761.db2.gz VRTRUBKAZPWHGB-OTWHNJEPSA-N 1 3 323.525 2.028 20 0 DEADHO CC/C=C\CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000569138372 292393551 /nfs/dbraw/zinc/39/35/51/292393551.db2.gz MWSBKQFKZWIHBY-WAYWQWQTSA-N 1 3 307.482 2.265 20 0 DEADHO C[C@@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(-n2cnnn2)cc1 ZINC000635010242 406399069 /nfs/dbraw/zinc/39/90/69/406399069.db2.gz JFRIOBGOWSQGTH-UKRRQHHQSA-N 1 3 314.437 2.091 20 0 DEADHO CC[C@]1(O)CCCN(CC[C@H](C)[N@@H+]2CCC[C@@](O)(CC)C2)C1 ZINC000640033814 406366272 /nfs/dbraw/zinc/36/62/72/406366272.db2.gz RIADWDOAZOYWNS-BZSNNMDCSA-N 1 3 312.498 2.239 20 0 DEADHO CC[C@]1(O)CCCN(CC[C@H](C)[N@H+]2CCC[C@@](O)(CC)C2)C1 ZINC000640033814 406366276 /nfs/dbraw/zinc/36/62/76/406366276.db2.gz RIADWDOAZOYWNS-BZSNNMDCSA-N 1 3 312.498 2.239 20 0 DEADHO CC[C@]1(O)CCCN([C@@H](C)CC[N@@H+]2CCC[C@@](O)(CC)C2)C1 ZINC000640033814 406366278 /nfs/dbraw/zinc/36/62/78/406366278.db2.gz RIADWDOAZOYWNS-BZSNNMDCSA-N 1 3 312.498 2.239 20 0 DEADHO CC[C@]1(O)CCCN([C@@H](C)CC[N@H+]2CCC[C@@](O)(CC)C2)C1 ZINC000640033814 406366282 /nfs/dbraw/zinc/36/62/82/406366282.db2.gz RIADWDOAZOYWNS-BZSNNMDCSA-N 1 3 312.498 2.239 20 0 DEADHO O=C1CC[C@@H]([NH2+]CC2CCN(Cc3cccs3)CC2)CCN1 ZINC000634957005 406370384 /nfs/dbraw/zinc/37/03/84/406370384.db2.gz AOTUDYUYHYVAOP-OAHLLOKOSA-N 1 3 321.490 2.218 20 0 DEADHO CN1CC[C@@H]2CCN(C(=O)CC[N@H+](C)C3CCCCC3)[C@@H]2C1 ZINC000548064216 406476325 /nfs/dbraw/zinc/47/63/25/406476325.db2.gz ZWTUKWMZBRJNHY-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO CN1CC[C@@H]2CCN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@@H]2C1 ZINC000548064216 406476327 /nfs/dbraw/zinc/47/63/27/406476327.db2.gz ZWTUKWMZBRJNHY-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)CC[C@H](N)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000638062897 406551220 /nfs/dbraw/zinc/55/12/20/406551220.db2.gz JWLHYLLKPNFEKH-KRWDZBQOSA-N 1 3 321.465 2.007 20 0 DEADHO CC[NH+](CC)Cc1cccc(NC(=O)[C@]2(C)C[C@@H](OC)CN2)c1 ZINC000638065848 406552789 /nfs/dbraw/zinc/55/27/89/406552789.db2.gz BUSYMWRJSIZAEY-AEFFLSMTSA-N 1 3 319.449 2.234 20 0 DEADHO CC[NH2+][C@H](C)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000638087905 406562794 /nfs/dbraw/zinc/56/27/94/406562794.db2.gz BBVPXEXEGLXHHB-CQSZACIVSA-N 1 3 321.490 2.214 20 0 DEADHO C[C@H]1CC[N@H+](CCNC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000525800518 406502999 /nfs/dbraw/zinc/50/29/99/406502999.db2.gz YTSRSZWNVMLBJY-AWEZNQCLSA-N 1 3 304.438 2.212 20 0 DEADHO C[C@H]1CC[N@@H+](CCNC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000525800518 406503001 /nfs/dbraw/zinc/50/30/01/406503001.db2.gz YTSRSZWNVMLBJY-AWEZNQCLSA-N 1 3 304.438 2.212 20 0 DEADHO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]C1CCN(CC2CC2)CC1 ZINC000548348795 406505200 /nfs/dbraw/zinc/50/52/00/406505200.db2.gz DQEDBFIWAHDEDE-IRXDYDNUSA-N 1 3 318.465 2.104 20 0 DEADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)Cc1ccco1 ZINC000571431318 406520738 /nfs/dbraw/zinc/52/07/38/406520738.db2.gz VUFYNGNEYCGYJK-XOYOTBSWSA-N 1 3 306.450 2.331 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC000635412045 406525681 /nfs/dbraw/zinc/52/56/81/406525681.db2.gz OHTSHMDPTUMFBG-DOTOQJQBSA-N 1 3 315.461 2.280 20 0 DEADHO CO[C@@H](CN1CCC[C@H]([NH+]2CCCC2)CC1)C1CCOCC1 ZINC000638104994 406571192 /nfs/dbraw/zinc/57/11/92/406571192.db2.gz ODLUDHGPNATBPU-ROUUACIJSA-N 1 3 310.482 2.378 20 0 DEADHO CC[NH2+][C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000638119398 406579589 /nfs/dbraw/zinc/57/95/89/406579589.db2.gz QLLNZQNTVFCXMR-BFYDXBDKSA-N 1 3 303.450 2.011 20 0 DEADHO CCN[C@@H](C)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000638119761 406580471 /nfs/dbraw/zinc/58/04/71/406580471.db2.gz AQYCOIJSNTXPAV-ZDUSSCGKSA-N 1 3 302.422 2.139 20 0 DEADHO CC[NH+]1CCC(N2CCCN(Cc3ccnc(C)c3)CC2)CC1 ZINC000527540152 406654711 /nfs/dbraw/zinc/65/47/11/406654711.db2.gz PGEYYNLVKIAHLS-UHFFFAOYSA-N 1 3 316.493 2.382 20 0 DEADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)CN2CCCCC2)[C@]12CCCO2 ZINC000638391144 406743151 /nfs/dbraw/zinc/74/31/51/406743151.db2.gz PDPWMORBTYIMCI-BSDSXHPESA-N 1 3 310.482 2.425 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCN1CC[C@H](C(=O)NCc2ccccc2)C1 ZINC000646056984 406761027 /nfs/dbraw/zinc/76/10/27/406761027.db2.gz POJNPYAKOJVXLU-ZWKOTPCHSA-N 1 3 315.461 2.109 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCN1CC[C@H](C(=O)NCc2ccccc2)C1 ZINC000646056984 406761031 /nfs/dbraw/zinc/76/10/31/406761031.db2.gz POJNPYAKOJVXLU-ZWKOTPCHSA-N 1 3 315.461 2.109 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000527826363 406764369 /nfs/dbraw/zinc/76/43/69/406764369.db2.gz HQDQMIANTJUUMB-USXIJHARSA-N 1 3 322.497 2.175 20 0 DEADHO CN(C)C/C=C\C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000491893532 406767404 /nfs/dbraw/zinc/76/74/04/406767404.db2.gz PISNGDMERXTPBO-POHAHGRESA-N 1 3 305.422 2.073 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H](N)c1ccccc1 ZINC000645953509 406719696 /nfs/dbraw/zinc/71/96/96/406719696.db2.gz WQSOPYWLBFCSKV-SJORKVTESA-N 1 3 315.461 2.313 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H](N)c1ccccc1 ZINC000645953509 406719699 /nfs/dbraw/zinc/71/96/99/406719699.db2.gz WQSOPYWLBFCSKV-SJORKVTESA-N 1 3 315.461 2.313 20 0 DEADHO CN1CCN(CC[NH2+]Cc2ccc3cc[nH]c3c2)CC1(C)C ZINC000527702666 406722341 /nfs/dbraw/zinc/72/23/41/406722341.db2.gz GZKFHCQBGCUUAJ-UHFFFAOYSA-N 1 3 300.450 2.284 20 0 DEADHO CC1CC[NH+](CCCCNCc2cc3c(cn2)OCCO3)CC1 ZINC000638369367 406729036 /nfs/dbraw/zinc/72/90/36/406729036.db2.gz GLTGKVLQLNUZMT-UHFFFAOYSA-N 1 3 319.449 2.455 20 0 DEADHO CCN(CC[NH+]1CCCCCC1)C(=O)NC1CCN(CC)CC1 ZINC000554238906 406788169 /nfs/dbraw/zinc/78/81/69/406788169.db2.gz QAAXFKPVCKWUPS-UHFFFAOYSA-N 1 3 324.513 2.378 20 0 DEADHO Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H](C)CN1CCCCC1 ZINC000577500612 406839029 /nfs/dbraw/zinc/83/90/29/406839029.db2.gz KPUPROCYKGTBAU-WMZOPIPTSA-N 1 3 320.477 2.446 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646380782 406853870 /nfs/dbraw/zinc/85/38/70/406853870.db2.gz BPHPFZGXWONOTI-GVDBMIGSSA-N 1 3 307.482 2.099 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646380784 406853952 /nfs/dbraw/zinc/85/39/52/406853952.db2.gz BPHPFZGXWONOTI-YESZJQIVSA-N 1 3 307.482 2.099 20 0 DEADHO O=C(C[C@H]1CCC[NH2+]1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000646409961 406859606 /nfs/dbraw/zinc/85/96/06/406859606.db2.gz HSOJZAVSICCHHM-QZTJIDSGSA-N 1 3 315.461 2.472 20 0 DEADHO CCCN1CC[C@H](NC(=O)N(C)CCCC[NH+]2CCCCC2)C1 ZINC000641837584 406903448 /nfs/dbraw/zinc/90/34/48/406903448.db2.gz NVIGXWAJFSIDTR-KRWDZBQOSA-N 1 3 324.513 2.378 20 0 DEADHO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCNC3(CCC3)C2)C12CCOCC2 ZINC000643547167 407012848 /nfs/dbraw/zinc/01/28/48/407012848.db2.gz AMFGIOZXSCKPGO-BZUAXINKSA-N 1 3 308.466 2.225 20 0 DEADHO CCO[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)C12CCOCC2 ZINC000643547167 407012852 /nfs/dbraw/zinc/01/28/52/407012852.db2.gz AMFGIOZXSCKPGO-BZUAXINKSA-N 1 3 308.466 2.225 20 0 DEADHO CN(C)c1ncc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647543656 407017471 /nfs/dbraw/zinc/01/74/71/407017471.db2.gz QWNYJSIYLNDUAN-ZIAGYGMSSA-N 1 3 308.495 2.421 20 0 DEADHO Cc1ccc(-c2nn(C)cc2CN2CC[C@H]3C[NH2+]C[C@H]3CC2)o1 ZINC000647544528 407017588 /nfs/dbraw/zinc/01/75/88/407017588.db2.gz LOYTURZARQBUPE-GASCZTMLSA-N 1 3 314.433 2.420 20 0 DEADHO C[C@@H]1C[C@@H](C)N(Cc2ccc(C(=O)NC3CC3)cc2)C[C@@H]1C[NH3+] ZINC000643427603 406999351 /nfs/dbraw/zinc/99/93/51/406999351.db2.gz LYSZXMNMEYGTHO-CPUCHLNUSA-N 1 3 315.461 2.384 20 0 DEADHO Cc1cccc(C)c1OC[C@H](O)CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000643464017 407003611 /nfs/dbraw/zinc/00/36/11/407003611.db2.gz UUNGATMJOTYUBX-BBWFWOEESA-N 1 3 306.450 2.150 20 0 DEADHO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000643464017 407003612 /nfs/dbraw/zinc/00/36/12/407003612.db2.gz UUNGATMJOTYUBX-BBWFWOEESA-N 1 3 306.450 2.150 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000643489642 407006630 /nfs/dbraw/zinc/00/66/30/407006630.db2.gz POYVATQUZNWKOE-KTQBOKQISA-N 1 3 304.434 2.249 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@H](CN)c2ccc3ccccc3c2)CC[N@@H+]1C ZINC000648127250 407123643 /nfs/dbraw/zinc/12/36/43/407123643.db2.gz DBLFSEVATXHGGX-FSPWUOQZSA-N 1 3 311.429 2.296 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@H](CN)c2ccc3ccccc3c2)CC[N@H+]1C ZINC000648127250 407123647 /nfs/dbraw/zinc/12/36/47/407123647.db2.gz DBLFSEVATXHGGX-FSPWUOQZSA-N 1 3 311.429 2.296 20 0 DEADHO CCC[C@@H]1CN(CCCC2CC[NH2+]CC2)CCN1CCOC ZINC000647990857 407095526 /nfs/dbraw/zinc/09/55/26/407095526.db2.gz OACZKGJKIYKJQF-GOSISDBHSA-N 1 3 311.514 2.199 20 0 DEADHO CCOc1ccccc1NC(=O)CCN1CCC[C@@H](C[NH3+])C1 ZINC000647827199 407057612 /nfs/dbraw/zinc/05/76/12/407057612.db2.gz WGLDZZBDXXPNBW-AWEZNQCLSA-N 1 3 305.422 2.085 20 0 DEADHO CC[C@@H]1CN(CCCOc2ccc3c(c2)OCO3)CC[C@H]1[NH3+] ZINC000647936774 407079548 /nfs/dbraw/zinc/07/95/48/407079548.db2.gz KXKTYBNKQKIKPC-UKRRQHHQSA-N 1 3 306.406 2.243 20 0 DEADHO C[N@H+](C[C@@H](O)CNCC1(c2ccc(F)cc2)CCC1)C1CC1 ZINC000644533398 407138217 /nfs/dbraw/zinc/13/82/17/407138217.db2.gz IWBKOAHDIQOAPG-KRWDZBQOSA-N 1 3 306.425 2.292 20 0 DEADHO C[N@@H+](C[C@@H](O)CNCC1(c2ccc(F)cc2)CCC1)C1CC1 ZINC000644533398 407138219 /nfs/dbraw/zinc/13/82/19/407138219.db2.gz IWBKOAHDIQOAPG-KRWDZBQOSA-N 1 3 306.425 2.292 20 0 DEADHO CCCN(C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)[C@H]1CCN(C)C1 ZINC000645162230 407240376 /nfs/dbraw/zinc/24/03/76/407240376.db2.gz HOELNRPDGRWSCE-ULQDDVLXSA-N 1 3 324.513 2.375 20 0 DEADHO CCCN(C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C)[C@H]1CCN(C)C1 ZINC000645162230 407240379 /nfs/dbraw/zinc/24/03/79/407240379.db2.gz HOELNRPDGRWSCE-ULQDDVLXSA-N 1 3 324.513 2.375 20 0 DEADHO [NH3+][C@@H](CCC(=O)N1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000645222398 407249163 /nfs/dbraw/zinc/24/91/63/407249163.db2.gz ZKDIKMZATZVONL-SFHVURJKSA-N 1 3 324.428 2.210 20 0 DEADHO CCCN(C(=O)NCC(C)(C)C[NH+]1CCCC1)[C@H]1CCN(C)C1 ZINC000645473794 407283032 /nfs/dbraw/zinc/28/30/32/407283032.db2.gz YSQMQWBGAYXKRA-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H]1CC[C@H](C)N1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000131659261 196188715 /nfs/dbraw/zinc/18/87/15/196188715.db2.gz ONASORXMYINTJE-GJZGRUSLSA-N 1 3 322.497 2.127 20 0 DEADHO CCOCCNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000133067270 196309260 /nfs/dbraw/zinc/30/92/60/196309260.db2.gz YKWDRZDIHICBPS-UHFFFAOYSA-N 1 3 305.466 2.343 20 0 DEADHO C[NH2+][C@H]1CCCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000133815686 196338027 /nfs/dbraw/zinc/33/80/27/196338027.db2.gz POMJEMDNXIFHTC-ZDUSSCGKSA-N 1 3 315.417 2.318 20 0 DEADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000417807756 229109104 /nfs/dbraw/zinc/10/91/04/229109104.db2.gz KLCKKNCTNLZBQK-LSDHHAIUSA-N 1 3 322.497 2.175 20 0 DEADHO CN(C)C1(CNC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CCC1 ZINC000418054080 229204241 /nfs/dbraw/zinc/20/42/41/229204241.db2.gz DRNAKKUGTWOCTC-JKSUJKDBSA-N 1 3 322.497 2.034 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC[C@@H]1C[NH3+])N(C)C ZINC000418186126 229260437 /nfs/dbraw/zinc/26/04/37/229260437.db2.gz ROSPORJUCKEJEB-INMHGKMJSA-N 1 3 318.465 2.119 20 0 DEADHO O=C(NCCC[NH2+]C1CC1)N1CCN(CC2CCCCC2)CC1 ZINC000418295792 229303141 /nfs/dbraw/zinc/30/31/41/229303141.db2.gz FBJKWHVVBRLXGE-UHFFFAOYSA-N 1 3 322.497 2.036 20 0 DEADHO CN(C)CCN(C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])C1CCCC1 ZINC000418424075 229344385 /nfs/dbraw/zinc/34/43/85/229344385.db2.gz JYWSHBORCLXVSE-GDBMZVCRSA-N 1 3 310.486 2.020 20 0 DEADHO COCCN(C)CC[C@H](N[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000422712357 230171719 /nfs/dbraw/zinc/17/17/19/230171719.db2.gz ILQIOXQKZQLLLU-OALUTQOASA-N 1 3 319.493 2.428 20 0 DEADHO C[C@H]([NH3+])c1ccc(C(=O)NCCCNCc2cccnc2)cc1 ZINC000422734196 230184043 /nfs/dbraw/zinc/18/40/43/230184043.db2.gz SHPBFJRMCCZKDS-AWEZNQCLSA-N 1 3 312.417 2.011 20 0 DEADHO NC[C@@H]1CCC[C@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000422821452 230228562 /nfs/dbraw/zinc/22/85/62/230228562.db2.gz WHEQVWVSHKEQKG-UONOGXRCSA-N 1 3 307.404 2.368 20 0 DEADHO Cc1cccc([C@H](C[NH2+][C@H]2CCC[C@H]2CN)N2CCOCC2)c1 ZINC000422860236 230249328 /nfs/dbraw/zinc/24/93/28/230249328.db2.gz LDOVTICGUARNGJ-FHWLQOOXSA-N 1 3 317.477 2.085 20 0 DEADHO Cc1cccc(OC[C@H](O)CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422905629 230269984 /nfs/dbraw/zinc/26/99/84/230269984.db2.gz ZKZJDULGBORWIY-QXCFHYIPSA-N 1 3 318.461 2.245 20 0 DEADHO Cc1cccc(OC[C@H](O)CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422905628 230270139 /nfs/dbraw/zinc/27/01/39/230270139.db2.gz ZKZJDULGBORWIY-OQIJWPOYSA-N 1 3 318.461 2.245 20 0 DEADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000422954727 230293464 /nfs/dbraw/zinc/29/34/64/230293464.db2.gz IDWMDGCGDBFSSX-RDJZCZTQSA-N 1 3 315.461 2.334 20 0 DEADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCOc1ncccc1C(F)(F)F ZINC000422994299 230309961 /nfs/dbraw/zinc/30/99/61/230309961.db2.gz HMCTYTFIEBWGHI-AAEUAGOBSA-N 1 3 317.355 2.457 20 0 DEADHO Cc1ccccc1C[C@H](CO)N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423055562 230331190 /nfs/dbraw/zinc/33/11/90/230331190.db2.gz DGVNMVKDBICROK-FCGDIQPGSA-N 1 3 302.462 2.409 20 0 DEADHO OC[C@@]1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1c1ccc(F)cc1 ZINC000423076339 230341025 /nfs/dbraw/zinc/34/10/25/230341025.db2.gz RBHMKCBNIRJYDZ-CIQAELJKSA-N 1 3 304.409 2.164 20 0 DEADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)CC[N@@H+]1C ZINC000648798856 424908929 /nfs/dbraw/zinc/90/89/29/424908929.db2.gz AUVIPZJBWYYLSR-BPQIPLTHSA-N 1 3 315.461 2.060 20 0 DEADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)CC[N@H+]1C ZINC000648798856 424908933 /nfs/dbraw/zinc/90/89/33/424908933.db2.gz AUVIPZJBWYYLSR-BPQIPLTHSA-N 1 3 315.461 2.060 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407304167 424931559 /nfs/dbraw/zinc/93/15/59/424931559.db2.gz DGZXYXITMOXFHN-FHLIZLRMSA-N 1 3 315.461 2.154 20 0 DEADHO CN(C)CCOc1cccc(NC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)c1 ZINC000407362319 424932338 /nfs/dbraw/zinc/93/23/38/424932338.db2.gz IBNKNWLSUCKFPA-SJORKVTESA-N 1 3 317.433 2.096 20 0 DEADHO C[C@@H](N)C[C@H](C)[NH2+]CCCNc1ccc(C(F)(F)F)cn1 ZINC000422832266 424987491 /nfs/dbraw/zinc/98/74/91/424987491.db2.gz LAGMHZWMRCPQPP-MNOVXSKESA-N 1 3 304.360 2.618 20 0 DEADHO C[C@@H]([NH3+])C[C@H](C)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000422832266 424987496 /nfs/dbraw/zinc/98/74/96/424987496.db2.gz LAGMHZWMRCPQPP-MNOVXSKESA-N 1 3 304.360 2.618 20 0 DEADHO Cc1nc(C)c(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000650706978 425040244 /nfs/dbraw/zinc/04/02/44/425040244.db2.gz WFNWMOHPHAEMGS-KKUMJFAQSA-N 1 3 309.479 2.478 20 0 DEADHO C[NH2+]Cc1ccccc1CNCc1cn(C)nc1-c1ccncc1 ZINC000650718741 425042392 /nfs/dbraw/zinc/04/23/92/425042392.db2.gz VQHLYFUUJVNEJU-UHFFFAOYSA-N 1 3 321.428 2.491 20 0 DEADHO CCOc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)nc1 ZINC000650724055 425042501 /nfs/dbraw/zinc/04/25/01/425042501.db2.gz XPTVUZWFGCLYAL-ZTFGCOKTSA-N 1 3 319.449 2.341 20 0 DEADHO CCCn1cc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cn1 ZINC000650723778 425042587 /nfs/dbraw/zinc/04/25/87/425042587.db2.gz TYOPCHREEXOUJE-BBWFWOEESA-N 1 3 306.454 2.154 20 0 DEADHO COc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1O ZINC000650721941 425042964 /nfs/dbraw/zinc/04/29/64/425042964.db2.gz GYLCRSFNAKUTFE-RKVPGOIHSA-N 1 3 320.433 2.262 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](NCCc2cncc(C)n2)[C@H](C)C1 ZINC000649587452 425045577 /nfs/dbraw/zinc/04/55/77/425045577.db2.gz JSYLFZGCIWLPIV-QAPCUYQASA-N 1 3 320.481 2.054 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](NCCc2cncc(C)n2)[C@H](C)C1 ZINC000649587452 425045579 /nfs/dbraw/zinc/04/55/79/425045579.db2.gz JSYLFZGCIWLPIV-QAPCUYQASA-N 1 3 320.481 2.054 20 0 DEADHO CC[N@H+](CCCN[C@H](C)C[C@H]1COCCN1)C1CCCCC1 ZINC000650741696 425046772 /nfs/dbraw/zinc/04/67/72/425046772.db2.gz JRDBONQHYLGINC-SJORKVTESA-N 1 3 311.514 2.388 20 0 DEADHO CC[N@@H+](CCCN[C@H](C)C[C@H]1COCCN1)C1CCCCC1 ZINC000650741696 425046776 /nfs/dbraw/zinc/04/67/76/425046776.db2.gz JRDBONQHYLGINC-SJORKVTESA-N 1 3 311.514 2.388 20 0 DEADHO C[C@@H](NC(=O)N(C)CCN1CCCCC1)C(C)(C)C[NH+](C)C ZINC000650971450 425083750 /nfs/dbraw/zinc/08/37/50/425083750.db2.gz XDGFIUXZZJOHBB-OAHLLOKOSA-N 1 3 312.502 2.090 20 0 DEADHO [NH3+]CCCN(Cc1nc2c(s1)CNCC2)Cc1ccccc1 ZINC000663494118 425172082 /nfs/dbraw/zinc/17/20/82/425172082.db2.gz MSACKQQEHHSGLE-UHFFFAOYSA-N 1 3 316.474 2.140 20 0 DEADHO CN(Cc1ccccc1N(C)C1CCN(C)CC1)CC(C)(C)[NH3+] ZINC000656786063 425188973 /nfs/dbraw/zinc/18/89/73/425188973.db2.gz UVMTUGYJHGWKRE-UHFFFAOYSA-N 1 3 318.509 2.386 20 0 DEADHO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)[C@H](C)C2 ZINC000656792596 425191192 /nfs/dbraw/zinc/19/11/92/425191192.db2.gz TVOSPNYNFJVMLQ-VCBZYWHSSA-N 1 3 315.461 2.015 20 0 DEADHO COc1cccc(NC(=O)C[C@@H](C)N[C@H]2CCC[NH2+]CC2)c1 ZINC000666858116 425198747 /nfs/dbraw/zinc/19/87/47/425198747.db2.gz YADYVPBYLKXKTQ-KGLIPLIRSA-N 1 3 305.422 2.144 20 0 DEADHO CCOCC[C@H](O)C[NH+]1CCC(NCc2ccccc2)CC1 ZINC000660678048 425204815 /nfs/dbraw/zinc/20/48/15/425204815.db2.gz PZQCSDHJGAPJON-SFHVURJKSA-N 1 3 306.450 2.028 20 0 DEADHO CCN(C(=O)NCC(C)(C)[NH+]1CCCCC1)[C@@H]1CCN(CC)C1 ZINC000663446749 425161113 /nfs/dbraw/zinc/16/11/13/425161113.db2.gz FYDXGEGHITXGPR-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO CCN1C[C@H](C[NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)CC1=O ZINC000652015443 425161464 /nfs/dbraw/zinc/16/14/64/425161464.db2.gz CXEMUSKUDVUDKO-XYJFISCASA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC)C1CC1 ZINC000666685385 425161622 /nfs/dbraw/zinc/16/16/22/425161622.db2.gz FBTKYIITKCDFKI-IAGOWNOFSA-N 1 3 324.513 2.233 20 0 DEADHO CC[C@@H](NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC)C1CC1 ZINC000666685385 425161627 /nfs/dbraw/zinc/16/16/27/425161627.db2.gz FBTKYIITKCDFKI-IAGOWNOFSA-N 1 3 324.513 2.233 20 0 DEADHO CN(c1ccccc1CN[C@H](CO)CCF)C1CC[NH+](C)CC1 ZINC000652018227 425163010 /nfs/dbraw/zinc/16/30/10/425163010.db2.gz NSZISYZHHAQAQA-INIZCTEOSA-N 1 3 323.456 2.027 20 0 DEADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2CCOc2ccccc2)C1 ZINC000652361031 425250245 /nfs/dbraw/zinc/25/02/45/425250245.db2.gz WSYIVYMUVAWTGL-NJAFHUGGSA-N 1 3 304.434 2.426 20 0 DEADHO C[C@@H](NC(=O)NCCC1(C[NH3+])CC1)[C@@H](c1ccccc1)N(C)C ZINC000652191409 425209425 /nfs/dbraw/zinc/20/94/25/425209425.db2.gz TZOJEPPUKNHYNC-ZBFHGGJFSA-N 1 3 318.465 2.106 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)NCCC2(C[NH3+])CC2)cc1 ZINC000652204484 425213545 /nfs/dbraw/zinc/21/35/45/425213545.db2.gz UBMDCYRCXCTVQH-INIZCTEOSA-N 1 3 318.465 2.238 20 0 DEADHO CC(C)[C@@H](CNC(=O)NC[C@H]1CCN1C(C)(C)C)[NH+]1CCCC1 ZINC000664003008 425285877 /nfs/dbraw/zinc/28/58/77/425285877.db2.gz DHZRAISFEFFCBA-HZPDHXFCSA-N 1 3 324.513 2.279 20 0 DEADHO CCC[NH+]1CCC(CNCc2ccnn2-c2ccncc2)CC1 ZINC000657347792 425311562 /nfs/dbraw/zinc/31/15/62/425311562.db2.gz GQGYXUANNOGMRU-UHFFFAOYSA-N 1 3 313.449 2.479 20 0 DEADHO CN(C)CCC[N@H+](C)CCNc1ccnc2cc(F)cnc21 ZINC000664248487 425345058 /nfs/dbraw/zinc/34/50/58/425345058.db2.gz YUIAIDNLABAPTM-UHFFFAOYSA-N 1 3 305.401 2.064 20 0 DEADHO CN(C)CCC[N@@H+](C)CCNc1ccnc2cc(F)cnc21 ZINC000664248487 425345062 /nfs/dbraw/zinc/34/50/62/425345062.db2.gz YUIAIDNLABAPTM-UHFFFAOYSA-N 1 3 305.401 2.064 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000661242805 425359603 /nfs/dbraw/zinc/35/96/03/425359603.db2.gz UIEBNXMXDBPDCB-INIZCTEOSA-N 1 3 310.486 2.036 20 0 DEADHO CCC[N@H+](CC)CCNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654469632 425360340 /nfs/dbraw/zinc/36/03/40/425360340.db2.gz CTLZUHDTEYDRCN-CVEARBPZSA-N 1 3 310.486 2.034 20 0 DEADHO CCC[N@@H+](CC)CCNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654469632 425360343 /nfs/dbraw/zinc/36/03/43/425360343.db2.gz CTLZUHDTEYDRCN-CVEARBPZSA-N 1 3 310.486 2.034 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)cc1 ZINC000657703197 425389589 /nfs/dbraw/zinc/38/95/89/425389589.db2.gz LZVXVMAIAAPHRK-DLBZAZTESA-N 1 3 304.434 2.020 20 0 DEADHO O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CCC[NH2+]CC1 ZINC000653105193 425404834 /nfs/dbraw/zinc/40/48/34/425404834.db2.gz KDDMBXFSLYLAQZ-KRWDZBQOSA-N 1 3 315.461 2.157 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2CCC[NH2+]CC2)C1 ZINC000653112973 425407961 /nfs/dbraw/zinc/40/79/61/425407961.db2.gz OLWTUFIXCGBPBU-NJAFHUGGSA-N 1 3 315.461 2.328 20 0 DEADHO COC[C@H](CC1CCOCC1)NC1CC[NH+](CC2CC2)CC1 ZINC000657846320 425408950 /nfs/dbraw/zinc/40/89/50/425408950.db2.gz QGBMMJQDSNHAQT-SFHVURJKSA-N 1 3 310.482 2.282 20 0 DEADHO O[C@H]1CCN(Cc2ccc(C[NH2+]C[C@H]3CCSC3)cc2)C1 ZINC000657594830 425371508 /nfs/dbraw/zinc/37/15/08/425371508.db2.gz CZCHRGXYIFMLIG-SJORKVTESA-N 1 3 306.475 2.096 20 0 DEADHO O[C@H]1CCN(Cc2ccccc2C[NH2+]C2CC(CF)(CF)C2)C1 ZINC000657968594 425422071 /nfs/dbraw/zinc/42/20/71/425422071.db2.gz CRMDTIGVMDLUIY-KRWDZBQOSA-N 1 3 324.415 2.431 20 0 DEADHO CN(CC1([NH+](C)C)CCC1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654733489 425429434 /nfs/dbraw/zinc/42/94/34/425429434.db2.gz XDCLPLFRHYMEFV-CVEARBPZSA-N 1 3 322.497 2.129 20 0 DEADHO COC[C@H](CC(C)C)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658139877 425444589 /nfs/dbraw/zinc/44/45/89/425444589.db2.gz NGQPHDUEGVLIQB-RBUKOAKNSA-N 1 3 320.477 2.404 20 0 DEADHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccnc1 ZINC000658138777 425444755 /nfs/dbraw/zinc/44/47/55/425444755.db2.gz NZBLJEALEJXAJW-DNVCBOLYSA-N 1 3 311.429 2.499 20 0 DEADHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccnc1 ZINC000658138777 425444758 /nfs/dbraw/zinc/44/47/58/425444758.db2.gz NZBLJEALEJXAJW-DNVCBOLYSA-N 1 3 311.429 2.499 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CC[C@@H](C3CCCCC3)C2)CC1 ZINC000661586499 425448703 /nfs/dbraw/zinc/44/87/03/425448703.db2.gz QIFKOFZOSOHDTH-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000658240211 425458681 /nfs/dbraw/zinc/45/86/81/425458681.db2.gz QWQAAGIXSWWRJT-PKOBYXMFSA-N 1 3 323.525 2.340 20 0 DEADHO C[C@H](NC(=O)NCC[C@H](C)[NH+](C)C)[C@@H](c1ccccc1)N(C)C ZINC000664868074 425469633 /nfs/dbraw/zinc/46/96/33/425469633.db2.gz VTTNRTOHCYCPEU-ZOBUZTSGSA-N 1 3 320.481 2.317 20 0 DEADHO C[C@H](CC(N)=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658319823 425473003 /nfs/dbraw/zinc/47/30/03/425473003.db2.gz JETQUBHTGPNWQI-WBVHZDCISA-N 1 3 315.461 2.142 20 0 DEADHO C[C@H](CC(N)=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658319823 425473005 /nfs/dbraw/zinc/47/30/05/425473005.db2.gz JETQUBHTGPNWQI-WBVHZDCISA-N 1 3 315.461 2.142 20 0 DEADHO C[NH2+]CCCC(=O)N1CCC(N[C@H](C)c2ccccc2F)CC1 ZINC000665285182 425536355 /nfs/dbraw/zinc/53/63/55/425536355.db2.gz FZFOTKVPUBJQSP-CQSZACIVSA-N 1 3 321.440 2.467 20 0 DEADHO CN(CCC(=O)N[C@H]1CCCN2CCCC[C@@H]12)c1cc[nH+]cc1 ZINC000655352688 425542963 /nfs/dbraw/zinc/54/29/63/425542963.db2.gz OCVBSOMLLHBDGN-IRXDYDNUSA-N 1 3 316.449 2.041 20 0 DEADHO CCCN(CC[NH+]1CCCC1)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000665357063 425551346 /nfs/dbraw/zinc/55/13/46/425551346.db2.gz CSMBMUGASFEGCI-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO [NH3+][C@H]1CCc2ncc(NC(=O)C[C@@H]3NCc4ccccc43)cc2C1 ZINC000659302251 425571613 /nfs/dbraw/zinc/57/16/13/425571613.db2.gz OIWJMFGUYATNHM-KSSFIOAISA-N 1 3 322.412 2.071 20 0 DEADHO CCc1ccccc1CC[NH+]1CCC(N2CC[C@H](O)C2)CC1 ZINC000662152179 425578150 /nfs/dbraw/zinc/57/81/50/425578150.db2.gz QGOWNOKJENVDSL-IBGZPJMESA-N 1 3 302.462 2.323 20 0 DEADHO C[C@@H]1CCCN(C(=O)C[C@H]2NCc3ccccc32)[C@@H]1CC[NH3+] ZINC000659328537 425580152 /nfs/dbraw/zinc/58/01/52/425580152.db2.gz OJJYYYDNQOVUPQ-KBRIMQKVSA-N 1 3 301.434 2.197 20 0 DEADHO CCN(CC)C(=O)[C@H]1CCCN1Cc1cccc2c1CC[NH2+]C2 ZINC000662255286 425601134 /nfs/dbraw/zinc/60/11/34/425601134.db2.gz XISQFNBLRXPOFQ-GOSISDBHSA-N 1 3 315.461 2.165 20 0 DEADHO c1ccc(CC2CC[NH+](C[C@@H]3CCC4(CNC4)O3)CC2)cc1 ZINC000662250113 425601759 /nfs/dbraw/zinc/60/17/59/425601759.db2.gz YEEXDVROIKICJF-SFHVURJKSA-N 1 3 300.446 2.462 20 0 DEADHO CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)C[C@H]1CCC2(CNC2)O1 ZINC000662254329 425601784 /nfs/dbraw/zinc/60/17/84/425601784.db2.gz HIRKOFUSJAOUAL-MSOLQXFVSA-N 1 3 318.461 2.027 20 0 DEADHO CC(C)[C@H](CO)[N@H+](Cc1ccccc1)C[C@H]1CCC2(CNC2)O1 ZINC000662254329 425601787 /nfs/dbraw/zinc/60/17/87/425601787.db2.gz HIRKOFUSJAOUAL-MSOLQXFVSA-N 1 3 318.461 2.027 20 0 DEADHO CCC[N@H+](C[C@@H]1CCC2(CNC2)O1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000662255994 425603323 /nfs/dbraw/zinc/60/33/23/425603323.db2.gz HHDOZPXGTWVGMV-JONQDZQNSA-N 1 3 308.466 2.033 20 0 DEADHO CCC[N@@H+](C[C@@H]1CCC2(CNC2)O1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000662255994 425603325 /nfs/dbraw/zinc/60/33/25/425603325.db2.gz HHDOZPXGTWVGMV-JONQDZQNSA-N 1 3 308.466 2.033 20 0 DEADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)N[C@H]3CCN(C4CC4)C3)cc21 ZINC000662410370 425645053 /nfs/dbraw/zinc/64/50/53/425645053.db2.gz RILCRPATWMFQFK-HOTGVXAUSA-N 1 3 313.445 2.032 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cccc3c2CNC3)C1 ZINC000662421871 425647495 /nfs/dbraw/zinc/64/74/95/425647495.db2.gz QRGCEQSAGSXTFK-AWEZNQCLSA-N 1 3 301.434 2.140 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cccc3c2CNC3)C1 ZINC000662421871 425647498 /nfs/dbraw/zinc/64/74/98/425647498.db2.gz QRGCEQSAGSXTFK-AWEZNQCLSA-N 1 3 301.434 2.140 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc2c1CNC2 ZINC000662458923 425655217 /nfs/dbraw/zinc/65/52/17/425655217.db2.gz VEILNFDBUGPMGZ-HNNXBMFYSA-N 1 3 301.434 2.284 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cccc2c1CNC2 ZINC000662458923 425655221 /nfs/dbraw/zinc/65/52/21/425655221.db2.gz VEILNFDBUGPMGZ-HNNXBMFYSA-N 1 3 301.434 2.284 20 0 DEADHO O=C(C[C@H]1NCc2ccccc21)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000662472369 425659659 /nfs/dbraw/zinc/65/96/59/425659659.db2.gz ZDVXOTCIWSENJK-CRAIPNDOSA-N 1 3 313.445 2.165 20 0 DEADHO O=C(c1cccc2c1C[NH2+]C2)N1CCN(C2CCCCC2)CC1 ZINC000662503607 425668086 /nfs/dbraw/zinc/66/80/86/425668086.db2.gz LFIYOMKVXJXVHD-UHFFFAOYSA-N 1 3 313.445 2.380 20 0 DEADHO CC(C)[NH2+]CC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000662525978 425673893 /nfs/dbraw/zinc/67/38/93/425673893.db2.gz NNBNOHGEGLAGOD-KRWDZBQOSA-N 1 3 303.450 2.328 20 0 DEADHO O=C(c1cccc2c1CNC2)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662524071 425674801 /nfs/dbraw/zinc/67/48/01/425674801.db2.gz UDYAHEDTSBUEEX-GDBMZVCRSA-N 1 3 313.445 2.142 20 0 DEADHO C[C@H]([NH2+]C[C@H]1CCC2(CNC2)O1)c1ccc(OC(F)F)cc1 ZINC000662281775 425612689 /nfs/dbraw/zinc/61/26/89/425612689.db2.gz LZVVNPQEAHDFKI-SMDDNHRTSA-N 1 3 312.360 2.460 20 0 DEADHO C[C@H](C(=O)N1CCCCCC1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290740 425613541 /nfs/dbraw/zinc/61/35/41/425613541.db2.gz JDLJNYLAULBDEQ-AEFFLSMTSA-N 1 3 321.509 2.489 20 0 DEADHO COc1ccnc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)c1OC ZINC000662293769 425615458 /nfs/dbraw/zinc/61/54/58/425615458.db2.gz NNCISJNDWUFSFL-HNNXBMFYSA-N 1 3 319.449 2.310 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)NCC2([NH3+])CCCC2)cc1 ZINC000659512909 425618254 /nfs/dbraw/zinc/61/82/54/425618254.db2.gz RUIFMROAKZLDMS-MRXNPFEDSA-N 1 3 318.465 2.381 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662335526 425627818 /nfs/dbraw/zinc/62/78/18/425627818.db2.gz MVWYODBDUJAHDW-OAHLLOKOSA-N 1 3 305.470 2.045 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662335526 425627822 /nfs/dbraw/zinc/62/78/22/425627822.db2.gz MVWYODBDUJAHDW-OAHLLOKOSA-N 1 3 305.470 2.045 20 0 DEADHO CC[C@@H]1CCCCN1CC[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000655711642 425634564 /nfs/dbraw/zinc/63/45/64/425634564.db2.gz KFPNXBSUNRCZAZ-MOPGFXCFSA-N 1 3 323.525 2.484 20 0 DEADHO CC[C@H](NC)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000662377573 425637201 /nfs/dbraw/zinc/63/72/01/425637201.db2.gz LIVKZBJVCDFLAA-INIZCTEOSA-N 1 3 307.438 2.344 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)NCC[NH+]1CCCCCC1 ZINC000662379871 425637586 /nfs/dbraw/zinc/63/75/86/425637586.db2.gz FGSQMMFXVRWPRX-KRWDZBQOSA-N 1 3 301.434 2.213 20 0 DEADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)C[C@H]1NCc2ccccc21 ZINC000662384590 425638175 /nfs/dbraw/zinc/63/81/75/425638175.db2.gz YONDOFNCOOQABO-WMLDXEAASA-N 1 3 301.434 2.212 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000662391315 425640253 /nfs/dbraw/zinc/64/02/53/425640253.db2.gz YKSAWRCFSFNPJL-KRWDZBQOSA-N 1 3 303.450 2.074 20 0 DEADHO CCC1(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCC1 ZINC000665759600 425641540 /nfs/dbraw/zinc/64/15/40/425641540.db2.gz KONZLLKYGSHSAY-HNNXBMFYSA-N 1 3 312.502 2.138 20 0 DEADHO CCC1(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCC1 ZINC000665759600 425641544 /nfs/dbraw/zinc/64/15/44/425641544.db2.gz KONZLLKYGSHSAY-HNNXBMFYSA-N 1 3 312.502 2.138 20 0 DEADHO C[C@@H](N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1(C)CC1 ZINC000665759367 425641724 /nfs/dbraw/zinc/64/17/24/425641724.db2.gz DOXXLILFBITJOV-LSDHHAIUSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H](N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1(C)CC1 ZINC000665759367 425641727 /nfs/dbraw/zinc/64/17/27/425641727.db2.gz DOXXLILFBITJOV-LSDHHAIUSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)CCC(C)(C)C ZINC000665764252 425642137 /nfs/dbraw/zinc/64/21/37/425642137.db2.gz ZIQWXSDBYIEVMC-HNNXBMFYSA-N 1 3 314.518 2.336 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)CCC(C)(C)C ZINC000665764252 425642139 /nfs/dbraw/zinc/64/21/39/425642139.db2.gz ZIQWXSDBYIEVMC-HNNXBMFYSA-N 1 3 314.518 2.336 20 0 DEADHO [NH3+]Cc1cccc(NC(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000655906796 425681736 /nfs/dbraw/zinc/68/17/36/425681736.db2.gz AYTPUFZIKUMPOX-HOTGVXAUSA-N 1 3 302.422 2.284 20 0 DEADHO O=C(c1cccc2c1CNC2)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662589734 425686986 /nfs/dbraw/zinc/68/69/86/425686986.db2.gz JMGLJILIKPQIFL-INIZCTEOSA-N 1 3 313.445 2.142 20 0 DEADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000655966969 425695921 /nfs/dbraw/zinc/69/59/21/425695921.db2.gz JCLKGKQQMWUJAP-VQHPVUNQSA-N 1 3 322.497 2.068 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662618346 425696055 /nfs/dbraw/zinc/69/60/55/425696055.db2.gz AZGYFEMAODFPJL-GDBMZVCRSA-N 1 3 301.434 2.210 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662618346 425696060 /nfs/dbraw/zinc/69/60/60/425696060.db2.gz AZGYFEMAODFPJL-GDBMZVCRSA-N 1 3 301.434 2.210 20 0 DEADHO C[C@@H](CNC(=O)c1cccc2c1CNC2)[N@@H+]1CCCC[C@@H]1C ZINC000662679487 425711137 /nfs/dbraw/zinc/71/11/37/425711137.db2.gz OZEQBYWBOHGPFA-KBPBESRZSA-N 1 3 301.434 2.283 20 0 DEADHO C[C@@H](CNC(=O)c1cccc2c1CNC2)[N@H+]1CCCC[C@@H]1C ZINC000662679487 425711139 /nfs/dbraw/zinc/71/11/39/425711139.db2.gz OZEQBYWBOHGPFA-KBPBESRZSA-N 1 3 301.434 2.283 20 0 DEADHO CCCC[C@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)C(=O)Nc1cc(C)on1 ZINC000656127093 425713278 /nfs/dbraw/zinc/71/32/78/425713278.db2.gz MRZOXNINYLWYLE-ZNMIVQPWSA-N 1 3 322.453 2.410 20 0 DEADHO C[C@@H]1CCC[C@](CNC(=O)C2(N)CC3(CCC3)C2)([NH+](C)C)C1 ZINC000662692225 425713924 /nfs/dbraw/zinc/71/39/24/425713924.db2.gz NAQPFNMSZLPIEG-PBHICJAKSA-N 1 3 307.482 2.275 20 0 DEADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C[C@H](N)c1ccccc1 ZINC000662695048 425714075 /nfs/dbraw/zinc/71/40/75/425714075.db2.gz WWBMCACYSUEEFJ-RDJZCZTQSA-N 1 3 303.450 2.313 20 0 DEADHO C[C@@H]1CCC[C@@](CNC(=O)C2(NC3CC3)CCC2)([NH+](C)C)C1 ZINC000662693912 425714937 /nfs/dbraw/zinc/71/49/37/425714937.db2.gz ZILOTUZROUHJCL-RHSMWYFYSA-N 1 3 307.482 2.288 20 0 DEADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C1(N)CC2(CCC2)C1 ZINC000662695445 425715495 /nfs/dbraw/zinc/71/54/95/425715495.db2.gz MCCUTICZRZCJJY-KFWWJZLASA-N 1 3 307.482 2.131 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc2c1CCNC2 ZINC000662696308 425716252 /nfs/dbraw/zinc/71/62/52/425716252.db2.gz WXPUYRLGYOMSGF-CABCVRRESA-N 1 3 315.461 2.183 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc2c1CCNC2 ZINC000662696308 425716256 /nfs/dbraw/zinc/71/62/56/425716256.db2.gz WXPUYRLGYOMSGF-CABCVRRESA-N 1 3 315.461 2.183 20 0 DEADHO COCC1(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000656200307 425730266 /nfs/dbraw/zinc/73/02/66/425730266.db2.gz LKEILSRDWCFIKL-CRAIPNDOSA-N 1 3 302.418 2.259 20 0 DEADHO [NH3+]CCCN(CC1CCCC1)C(=O)c1cccc2c1CCNC2 ZINC000662779172 425733761 /nfs/dbraw/zinc/73/37/61/425733761.db2.gz QFPPEETVSNZJLA-UHFFFAOYSA-N 1 3 315.461 2.314 20 0 DEADHO c1c(C2CC[NH2+]CC2)nnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000656455434 425773273 /nfs/dbraw/zinc/77/32/73/425773273.db2.gz HEOGQRNOZCJMHO-QGZVFWFLSA-N 1 3 311.433 2.192 20 0 DEADHO [NH3+]CCCN(c1ccccc1F)C1CCN([C@H]2CCOC2)CC1 ZINC000656254651 425745609 /nfs/dbraw/zinc/74/56/09/425745609.db2.gz DLJBFBRGUGLKNB-INIZCTEOSA-N 1 3 321.440 2.234 20 0 DEADHO COc1cc2nccc(N3CC[C@@H]4CC[NH2+][C@@H]4C3)c2cc1OC ZINC000663240608 425820229 /nfs/dbraw/zinc/82/02/29/425820229.db2.gz WMJCZEIOAZBKEX-SWLSCSKDSA-N 1 3 313.401 2.440 20 0 DEADHO [NH3+]C1(CNC(=O)N2CCN(C3CCCCC3)CC2)CCCCC1 ZINC000333898937 269002106 /nfs/dbraw/zinc/00/21/06/269002106.db2.gz ZLZZAZGFIPKVNP-UHFFFAOYSA-N 1 3 322.497 2.308 20 0 DEADHO CN1CC=C(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000392191737 269099539 /nfs/dbraw/zinc/09/95/39/269099539.db2.gz NAYKUVBEULIFMI-HNNXBMFYSA-N 1 3 309.454 2.237 20 0 DEADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cn[nH]c1 ZINC000397512585 269106527 /nfs/dbraw/zinc/10/65/27/269106527.db2.gz PNGOQPNZCUCWSS-HNNXBMFYSA-N 1 3 314.433 2.087 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000398132423 269108275 /nfs/dbraw/zinc/10/82/75/269108275.db2.gz JYZYOPJOZZDKHL-NXHRZFHOSA-N 1 3 315.461 2.013 20 0 DEADHO COCCOCc1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423143233 269115461 /nfs/dbraw/zinc/11/54/61/269115461.db2.gz WOKAZRXTLRQHGA-ROUUACIJSA-N 1 3 306.450 2.457 20 0 DEADHO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](C[C@@H]3CCCNC3)C[C@@H]2C1 ZINC000496491574 269223571 /nfs/dbraw/zinc/22/35/71/269223571.db2.gz KQWJJFRJXQEGRS-BZUAXINKSA-N 1 3 323.481 2.175 20 0 DEADHO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](C[C@@H]3CCCNC3)C[C@@H]2C1 ZINC000496491574 269223572 /nfs/dbraw/zinc/22/35/72/269223572.db2.gz KQWJJFRJXQEGRS-BZUAXINKSA-N 1 3 323.481 2.175 20 0 DEADHO CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@@H]3CCC[NH2+]C3)C[C@@H]2C1 ZINC000496491574 269223573 /nfs/dbraw/zinc/22/35/73/269223573.db2.gz KQWJJFRJXQEGRS-BZUAXINKSA-N 1 3 323.481 2.175 20 0 DEADHO CC(C)COC(=O)N1CCC([NH2+][C@H](C)[C@@H]2CCCNC2)CC1 ZINC000497208428 269294410 /nfs/dbraw/zinc/29/44/10/269294410.db2.gz KFDWFHQEIFXYNB-HUUCEWRRSA-N 1 3 311.470 2.221 20 0 DEADHO C[C@H]1CCN(C)CCN1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000503118257 269308285 /nfs/dbraw/zinc/30/82/85/269308285.db2.gz OUDHVUUYBSLQPU-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO CC(C)(C)c1n[nH]cc1CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000516632281 269366005 /nfs/dbraw/zinc/36/60/05/269366005.db2.gz NVHPANGWPJHDBQ-HOTGVXAUSA-N 1 3 320.481 2.426 20 0 DEADHO COc1ccccc1NC(=O)C[C@@H](C)NC[C@H]1CCC[NH2+]C1 ZINC000423202068 274161368 /nfs/dbraw/zinc/16/13/68/274161368.db2.gz AKCZCZASLUTJNT-KGLIPLIRSA-N 1 3 305.422 2.002 20 0 DEADHO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCNC1 ZINC000423202068 274161369 /nfs/dbraw/zinc/16/13/69/274161369.db2.gz AKCZCZASLUTJNT-KGLIPLIRSA-N 1 3 305.422 2.002 20 0 DEADHO C[C@@H]1C[C@H](C[NH3+])CN1CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000442792820 274399829 /nfs/dbraw/zinc/39/98/29/274399829.db2.gz RAUHEKPMRDUXFM-IIDMSEBBSA-N 1 3 315.461 2.239 20 0 DEADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000442792820 274399832 /nfs/dbraw/zinc/39/98/32/274399832.db2.gz RAUHEKPMRDUXFM-IIDMSEBBSA-N 1 3 315.461 2.239 20 0 DEADHO C[C@@H]1C[C@H](CN)C[N@H+]1CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000442792820 274399834 /nfs/dbraw/zinc/39/98/34/274399834.db2.gz RAUHEKPMRDUXFM-IIDMSEBBSA-N 1 3 315.461 2.239 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)NC(C)(C)CC[NH3+])cc1 ZINC000422611023 275749095 /nfs/dbraw/zinc/74/90/95/275749095.db2.gz RGDIHVKVXKHTFX-OAHLLOKOSA-N 1 3 306.454 2.236 20 0 DEADHO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000353526747 276035111 /nfs/dbraw/zinc/03/51/11/276035111.db2.gz SBQPAFFSKMJESU-JKSUJKDBSA-N 1 3 309.498 2.201 20 0 DEADHO CN1CCC(CC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC1 ZINC000368288322 277025697 /nfs/dbraw/zinc/02/56/97/277025697.db2.gz GLUGKDAJUCAHLN-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CN1CCC(CC(=O)N2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC000368288322 277025698 /nfs/dbraw/zinc/02/56/98/277025698.db2.gz GLUGKDAJUCAHLN-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CC(=O)NCCc1ccc([C@H](C)N[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000423280442 277034611 /nfs/dbraw/zinc/03/46/11/277034611.db2.gz UEULBKOUJKYREB-DOPJRALCSA-N 1 3 303.450 2.143 20 0 DEADHO CN1CCN(CC[NH2+][C@H]2CCc3c2cccc3F)CC1(C)C ZINC000282355151 277106418 /nfs/dbraw/zinc/10/64/18/277106418.db2.gz PMDUUNOJURXCQC-KRWDZBQOSA-N 1 3 305.441 2.429 20 0 DEADHO COC(=O)c1ccccc1CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424295952 277165439 /nfs/dbraw/zinc/16/54/39/277165439.db2.gz RSWKLGCIGVTKRB-AWEZNQCLSA-N 1 3 302.418 2.437 20 0 DEADHO C[NH2+]C[C@H]1CCCN1C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000269197694 277283894 /nfs/dbraw/zinc/28/38/94/277283894.db2.gz SGOBIRGOPGRXMO-GOSISDBHSA-N 1 3 315.461 2.109 20 0 DEADHO CC(C)CN(CCN(C)C)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000105294348 277379697 /nfs/dbraw/zinc/37/96/97/277379697.db2.gz YPTAOFJNKMEBRR-UHFFFAOYSA-N 1 3 312.502 2.090 20 0 DEADHO CC(C)CN(CCN(C)C)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000105294348 277379698 /nfs/dbraw/zinc/37/96/98/277379698.db2.gz YPTAOFJNKMEBRR-UHFFFAOYSA-N 1 3 312.502 2.090 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)[C@H](C2CC2)N2CCCC2)CC1 ZINC000353680376 277385785 /nfs/dbraw/zinc/38/57/85/277385785.db2.gz UEKJABOPHIHPJP-KRWDZBQOSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000101660314 277385808 /nfs/dbraw/zinc/38/58/08/277385808.db2.gz ZXIKFRCVWSDOPZ-XHSDSOJGSA-N 1 3 309.498 2.484 20 0 DEADHO CC(=O)NC1CCC([NH2+]C[C@H]2CCCN(CC(C)C)C2)CC1 ZINC000161694649 278088770 /nfs/dbraw/zinc/08/87/70/278088770.db2.gz IZPQFEGTPFXAOI-WWDZGPRUSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCCCCC1 ZINC000360126696 278154206 /nfs/dbraw/zinc/15/42/06/278154206.db2.gz VNAGACYENSHIOV-HZPDHXFCSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CCCCCC1 ZINC000360126696 278154207 /nfs/dbraw/zinc/15/42/07/278154207.db2.gz VNAGACYENSHIOV-HZPDHXFCSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@H]1NCCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@@H]1C ZINC000417807755 278512655 /nfs/dbraw/zinc/51/26/55/278512655.db2.gz KLCKKNCTNLZBQK-HUUCEWRRSA-N 1 3 322.497 2.175 20 0 DEADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(C(N)=O)CC1 ZINC000344773644 279134291 /nfs/dbraw/zinc/13/42/91/279134291.db2.gz PBMRHGNBRYUYGU-ZBFHGGJFSA-N 1 3 310.486 2.020 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000417883486 279255993 /nfs/dbraw/zinc/25/59/93/279255993.db2.gz WNXSEEMZKJRGDL-HLLBOEOZSA-N 1 3 318.465 2.076 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000417589576 279269445 /nfs/dbraw/zinc/26/94/45/279269445.db2.gz VMIYFDRYMVVPTI-MRXNPFEDSA-N 1 3 322.497 2.036 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185637918 279281120 /nfs/dbraw/zinc/28/11/20/279281120.db2.gz DAKLMSHRABAOFO-INIZCTEOSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@H](CNC(=O)C[C@@H](N)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000237566438 279327717 /nfs/dbraw/zinc/32/77/17/279327717.db2.gz QEHKRWAYYBTQTN-BFYDXBDKSA-N 1 3 303.450 2.313 20 0 DEADHO C[C@H](CNC(=O)C[C@@H](N)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000237566438 279327718 /nfs/dbraw/zinc/32/77/18/279327718.db2.gz QEHKRWAYYBTQTN-BFYDXBDKSA-N 1 3 303.450 2.313 20 0 DEADHO C[C@H](Cn1cc(Br)cn1)N[C@H](C[NH3+])C1CCCC1 ZINC000415073853 279385794 /nfs/dbraw/zinc/38/57/94/279385794.db2.gz ZXWROVRHHDZDGG-ZWNOBZJWSA-N 1 3 315.259 2.141 20 0 DEADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000290128340 280069758 /nfs/dbraw/zinc/06/97/58/280069758.db2.gz JUKFGRAJOMDMDG-NJAFHUGGSA-N 1 3 317.477 2.257 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)N(C)C ZINC000370646542 280073549 /nfs/dbraw/zinc/07/35/49/280073549.db2.gz VYJQMUOQPAXSHS-IRXDYDNUSA-N 1 3 303.450 2.060 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)N(C)C ZINC000370646542 280073550 /nfs/dbraw/zinc/07/35/50/280073550.db2.gz VYJQMUOQPAXSHS-IRXDYDNUSA-N 1 3 303.450 2.060 20 0 DEADHO CC[C@@H](CNC(=O)CC1(C[NH3+])CC1)N1CCc2ccccc2C1 ZINC000423326375 280141518 /nfs/dbraw/zinc/14/15/18/280141518.db2.gz MEQKMWNIYCSPFV-KRWDZBQOSA-N 1 3 315.461 2.069 20 0 DEADHO CC(C)[C@H](C(=O)NCCC[NH+]1CCCCC1)N1CCCCC1 ZINC000354313113 280170221 /nfs/dbraw/zinc/17/02/21/280170221.db2.gz WLPXVWVVAQOQMF-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NCC(C)(C)[NH3+] ZINC000418044364 280234215 /nfs/dbraw/zinc/23/42/15/280234215.db2.gz ZQWLJZADYRWJPB-INIZCTEOSA-N 1 3 320.481 2.180 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000417700949 280249602 /nfs/dbraw/zinc/24/96/02/280249602.db2.gz LWCOJPOIBRHSNC-BZUAXINKSA-N 1 3 310.486 2.162 20 0 DEADHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2ccc3c(c2)CNC3)CC1 ZINC000424040924 281281237 /nfs/dbraw/zinc/28/12/37/281281237.db2.gz MMZULGIBAUOELU-QGZVFWFLSA-N 1 3 313.445 2.140 20 0 DEADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NC1CC[NH2+]CC1)N(C)C ZINC000418188957 281362040 /nfs/dbraw/zinc/36/20/40/281362040.db2.gz VAMOHAMFFVRSQS-WMLDXEAASA-N 1 3 318.465 2.037 20 0 DEADHO CN(C(=O)CN1CCC(CCC[NH+]2CCCC2)CC1)C1CC1 ZINC000122028451 281727811 /nfs/dbraw/zinc/72/78/11/281727811.db2.gz FGQKWMOVPMFMGO-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000130711072 281947541 /nfs/dbraw/zinc/94/75/41/281947541.db2.gz GUPVIGRONHYHPK-HZPDHXFCSA-N 1 3 315.461 2.328 20 0 DEADHO C[NH+](C)C/C=C\C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000493346325 289041334 /nfs/dbraw/zinc/04/13/34/289041334.db2.gz BIPRNENSOPFLRS-SDMNGIDPSA-N 1 3 301.434 2.058 20 0 DEADHO C[NH+](C)CCCC(C)(C)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000458707683 289108403 /nfs/dbraw/zinc/10/84/03/289108403.db2.gz QKXJWZDHOOYBNC-INIZCTEOSA-N 1 3 324.513 2.423 20 0 DEADHO CN(C)[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000427314810 289278673 /nfs/dbraw/zinc/27/86/73/289278673.db2.gz MWXTVNRXVTVAPN-QZTJIDSGSA-N 1 3 317.477 2.055 20 0 DEADHO CN(CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)CC(F)(F)F ZINC000422713934 289674847 /nfs/dbraw/zinc/67/48/47/289674847.db2.gz QEZHPRFCMNMARO-BFHYXJOUSA-N 1 3 307.404 2.381 20 0 DEADHO C[C@H]([NH3+])[C@H](C)NC(=O)NCc1ccccc1CN1CCCCC1 ZINC000416899001 289787550 /nfs/dbraw/zinc/78/75/50/289787550.db2.gz DISWCQRALNEFKE-GJZGRUSLSA-N 1 3 318.465 2.207 20 0 DEADHO COc1ccc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)c(OC)c1OC ZINC000415011160 295134836 /nfs/dbraw/zinc/13/48/36/295134836.db2.gz QGHXPWAQVUTCQD-LSDHHAIUSA-N 1 3 320.433 2.190 20 0 DEADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000423047533 295270893 /nfs/dbraw/zinc/27/08/93/295270893.db2.gz GNPMAUYBKIKZHB-OLZOCXBDSA-N 1 3 317.355 2.282 20 0 DEADHO [NH3+]C[C@H]1CCC[C@@H]1NCCc1ccc(OCC(F)(F)F)nc1 ZINC000423047533 295270895 /nfs/dbraw/zinc/27/08/95/295270895.db2.gz GNPMAUYBKIKZHB-OLZOCXBDSA-N 1 3 317.355 2.282 20 0 DEADHO C[C@@]1(C(=O)NC[C@H](c2cccs2)N2CCCC2)CCC[NH2+]C1 ZINC000119866989 297870064 /nfs/dbraw/zinc/87/00/64/297870064.db2.gz FQAKLEPRVYNFDM-RHSMWYFYSA-N 1 3 321.490 2.391 20 0 DEADHO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC(C[NH3+])CC1 ZINC000430627038 298138455 /nfs/dbraw/zinc/13/84/55/298138455.db2.gz LULKJLJPLBXFOE-SALMBKGGSA-N 1 3 319.493 2.131 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000361287361 298571626 /nfs/dbraw/zinc/57/16/26/298571626.db2.gz IDHWUMJOBSRQTP-IAGOWNOFSA-N 1 3 324.513 2.425 20 0 DEADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000290176664 300573026 /nfs/dbraw/zinc/57/30/26/300573026.db2.gz FBZKDROMPUALMT-KBAYOESNSA-N 1 3 315.461 2.328 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H](C[NH3+])C1CC1)N(C)C ZINC000418176015 302205495 /nfs/dbraw/zinc/20/54/95/302205495.db2.gz GQJOQBNXGKAZGI-JQFCIGGWSA-N 1 3 318.465 2.023 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)N(C)C ZINC000487374713 302206648 /nfs/dbraw/zinc/20/66/48/302206648.db2.gz GIYQLYWVFUYTFU-ONIAQPFYSA-N 1 3 317.477 2.300 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)N(C)C ZINC000487374713 302206652 /nfs/dbraw/zinc/20/66/52/302206652.db2.gz GIYQLYWVFUYTFU-ONIAQPFYSA-N 1 3 317.477 2.300 20 0 DEADHO [NH3+]C1(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CCCC1 ZINC000237920834 303355549 /nfs/dbraw/zinc/35/55/49/303355549.db2.gz XEIGIVSUHHYWHR-MRXNPFEDSA-N 1 3 301.434 2.211 20 0 DEADHO CC[NH+]1CCC(NC(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)CC1 ZINC001349458158 1151251908 /nfs/dbraw/zinc/25/19/08/1151251908.db2.gz RCNCBNJURMGOFN-CQSZACIVSA-N 1 3 324.856 2.034 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccnc(OC2CCOCC2)c1 ZINC000572951654 326002205 /nfs/dbraw/zinc/00/22/05/326002205.db2.gz KWBZYWGPWIDSTJ-RDJZCZTQSA-N 1 3 319.449 2.247 20 0 DEADHO CC(C)[NH+]1CCC(N2CCN(C[C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000573613965 326074928 /nfs/dbraw/zinc/07/49/28/326074928.db2.gz NWPABEOPJUTMNH-PKOBYXMFSA-N 1 3 323.525 2.028 20 0 DEADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3CCC[C@H]([NH3+])C3)c2)CCO1 ZINC000573742299 326087453 /nfs/dbraw/zinc/08/74/53/326087453.db2.gz TYYJUIAGXFRQAL-AYOQOUSVSA-N 1 3 317.477 2.267 20 0 DEADHO CC(C)[C@H](C(=O)NCc1ccc(C[NH3+])cc1)N1CCCCC1 ZINC000573850346 326098515 /nfs/dbraw/zinc/09/85/15/326098515.db2.gz IAYIJGUOTYZLSR-QGZVFWFLSA-N 1 3 303.450 2.272 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H](CO)Cc2cc(F)c(F)c(F)c2)C1 ZINC000573933746 326107030 /nfs/dbraw/zinc/10/70/30/326107030.db2.gz IQHHOSKPXNOCHS-YNEHKIRRSA-N 1 3 316.367 2.114 20 0 DEADHO CN(CCC[NH3+])C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000574059667 326119884 /nfs/dbraw/zinc/11/98/84/326119884.db2.gz PEXTVJOPHZLLKN-HIFRSBDPSA-N 1 3 324.494 2.121 20 0 DEADHO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000576118402 326271088 /nfs/dbraw/zinc/27/10/88/326271088.db2.gz JYWYHSHABDLAKX-CRAIPNDOSA-N 1 3 315.461 2.237 20 0 DEADHO Cc1cc(C)cc(OC[C@@H](O)C[NH2+][C@@H](C)C2=CCN(C)CC2)c1 ZINC000576459703 326295277 /nfs/dbraw/zinc/29/52/77/326295277.db2.gz KZBASBMVMRCWLX-WMZOPIPTSA-N 1 3 318.461 2.283 20 0 DEADHO CC[C@@H](C)N[C@@H](CNC(=O)N(C)CCC[NH+](C)C)c1ccco1 ZINC000576492439 326298043 /nfs/dbraw/zinc/29/80/43/326298043.db2.gz XPNWBFUIJGQXSH-CABCVRRESA-N 1 3 324.469 2.302 20 0 DEADHO C[C@H](c1ccncc1)N1CCC([NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000576837189 326323593 /nfs/dbraw/zinc/32/35/93/326323593.db2.gz HHGPCGSYVTTXOW-KYJSFNMBSA-N 1 3 302.466 2.467 20 0 DEADHO CCN(CC)CCC[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000577414782 326365403 /nfs/dbraw/zinc/36/54/03/326365403.db2.gz GWDSQHYURYWWEM-UHFFFAOYSA-N 1 3 304.482 2.368 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CCN1Cc1ccccc1 ZINC000583417336 332395734 /nfs/dbraw/zinc/39/57/34/332395734.db2.gz ZCNQMYUTWKAOEO-AEFFLSMTSA-N 1 3 317.477 2.498 20 0 DEADHO C[NH+]1CCC(C)(CNC(=O)Nc2cccc3c2CCNC3)CC1 ZINC000583487972 334275884 /nfs/dbraw/zinc/27/58/84/334275884.db2.gz BKGRPQQJGGNMIN-UHFFFAOYSA-N 1 3 316.449 2.186 20 0 DEADHO COc1cccc2c1CCC[C@H]2[NH2+]C[C@@H](O)CN1CCCC1 ZINC000583003541 337227591 /nfs/dbraw/zinc/22/75/91/337227591.db2.gz NOMVQFWTYCTGPA-RHSMWYFYSA-N 1 3 304.434 2.119 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H](C)C2=CCN(C)CC2)c1 ZINC000584406390 337320385 /nfs/dbraw/zinc/32/03/85/337320385.db2.gz FFOOILJDNOHESH-SJLPKXTDSA-N 1 3 318.461 2.283 20 0 DEADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)N(C)Cc1ccccc1 ZINC001378226159 1152234228 /nfs/dbraw/zinc/23/42/28/1152234228.db2.gz CVWXBMNQNRFHJN-QGZVFWFLSA-N 1 3 317.477 2.499 20 0 DEADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCc1cccs1 ZINC001378251300 1152253160 /nfs/dbraw/zinc/25/31/60/1152253160.db2.gz JHZGGJIEDGLCAH-CQSZACIVSA-N 1 3 323.506 2.259 20 0 DEADHO CC[N@@H+](CCNC(=O)CN(C)C1CCC1)CC1CCCCC1 ZINC001377308834 1160185287 /nfs/dbraw/zinc/18/52/87/1160185287.db2.gz FAGMHOOINACFGT-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CC[C@H](C(=O)N[C@@](C)(C[NH2+]Cc1ccsc1)C1CC1)N(C)C ZINC001378437216 1152328435 /nfs/dbraw/zinc/32/84/35/1152328435.db2.gz VUAXOCGUNNIXTA-WBVHZDCISA-N 1 3 323.506 2.463 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]C/C=C/Cl)CC2)C1 ZINC001378453734 1152335365 /nfs/dbraw/zinc/33/53/65/1152335365.db2.gz UOBGETDKJNZJNG-AOZHKCNHSA-N 1 3 313.873 2.098 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]C/C=C/Cl)CC2)C1 ZINC001378453738 1152335677 /nfs/dbraw/zinc/33/56/77/1152335677.db2.gz UOBGETDKJNZJNG-ASQYJUDSSA-N 1 3 313.873 2.098 20 0 DEADHO C[C@@H](NC(=O)CN(C)C1CCC1)C1C[NH+](CC2CCCCC2)C1 ZINC001378525012 1152361509 /nfs/dbraw/zinc/36/15/09/1152361509.db2.gz BJNBKORCHCZKJN-OAHLLOKOSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@H+](C)CC[C@@H]1CCCC1(F)F ZINC001492877480 1161127891 /nfs/dbraw/zinc/12/78/91/1161127891.db2.gz CIJXGMFKIYTXRQ-AWEZNQCLSA-N 1 3 319.440 2.200 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@@H+](C)CC[C@@H]1CCCC1(F)F ZINC001492877480 1161127892 /nfs/dbraw/zinc/12/78/92/1161127892.db2.gz CIJXGMFKIYTXRQ-AWEZNQCLSA-N 1 3 319.440 2.200 20 0 DEADHO C[C@@H](C[NH2+]Cc1ccc(F)cc1)N(C)C(=O)CN(C)C1CCC1 ZINC001378775614 1152442826 /nfs/dbraw/zinc/44/28/26/1152442826.db2.gz MQCPUAZKIZVSPM-AWEZNQCLSA-N 1 3 321.440 2.247 20 0 DEADHO COc1cc(CCN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])ccc1Cl ZINC000423137487 533768927 /nfs/dbraw/zinc/76/89/27/533768927.db2.gz RCNPDCXTGASSJW-NJZAAPMLSA-N 1 3 312.841 2.233 20 0 DEADHO COc1cc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)ccc1Cl ZINC000423137487 533768932 /nfs/dbraw/zinc/76/89/32/533768932.db2.gz RCNPDCXTGASSJW-NJZAAPMLSA-N 1 3 312.841 2.233 20 0 DEADHO C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)C1 ZINC000422750159 533792516 /nfs/dbraw/zinc/79/25/16/533792516.db2.gz ADJRXXDDKVTXOY-CIRFHOKZSA-N 1 3 323.525 2.100 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@H](C2CC2)[C@@H]2CNCCO2)C1 ZINC000422750159 533792522 /nfs/dbraw/zinc/79/25/22/533792522.db2.gz ADJRXXDDKVTXOY-CIRFHOKZSA-N 1 3 323.525 2.100 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@H](C2CC2)[C@@H]2CNCCO2)C1 ZINC000422750159 533792530 /nfs/dbraw/zinc/79/25/30/533792530.db2.gz ADJRXXDDKVTXOY-CIRFHOKZSA-N 1 3 323.525 2.100 20 0 DEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000422847186 534066804 /nfs/dbraw/zinc/06/68/04/534066804.db2.gz HPOXUEPMTMWQOX-MSOLQXFVSA-N 1 3 323.525 2.247 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000422871959 534070723 /nfs/dbraw/zinc/07/07/23/534070723.db2.gz FBSWWQRASXETQS-IPYPFGDCSA-N 1 3 308.857 2.291 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCNC(=O)CCCc1ccccc1 ZINC000424386427 534072504 /nfs/dbraw/zinc/07/25/04/534072504.db2.gz XQVGZTDFAGNEKA-SJLPKXTDSA-N 1 3 317.477 2.103 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@H]1NCCCOCCOCc1ccccc1 ZINC000423042020 534098860 /nfs/dbraw/zinc/09/88/60/534098860.db2.gz KFCLUFPYUBDMJY-SJLPKXTDSA-N 1 3 306.450 2.198 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NC(C)(C)CC[NH3+])C1 ZINC000422590773 534111635 /nfs/dbraw/zinc/11/16/35/534111635.db2.gz BBLOWCINHIXRJU-HOCLYGCPSA-N 1 3 318.465 2.249 20 0 DEADHO COc1ccccc1N1CC[C@H](C[NH2+][C@H]2CCC[C@H]2CN)C1 ZINC000422852892 534151127 /nfs/dbraw/zinc/15/11/27/534151127.db2.gz ROBVXROJPCAKKC-PMPSAXMXSA-N 1 3 303.450 2.239 20 0 DEADHO COc1ccccc1N1CC[C@H](C[NH2+][C@H]2CCNCC[C@@H]2C)C1 ZINC000422857523 534151249 /nfs/dbraw/zinc/15/12/49/534151249.db2.gz YKEYIAYQJXVPLI-BBWFWOEESA-N 1 3 317.477 2.499 20 0 DEADHO CC(C)C[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000163624661 519367388 /nfs/dbraw/zinc/36/73/88/519367388.db2.gz YTCKPTXIJMEGQC-UONOGXRCSA-N 1 3 309.479 2.375 20 0 DEADHO CCC1([NH2+]CCCF)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001327456168 1148559670 /nfs/dbraw/zinc/55/96/70/1148559670.db2.gz XRRUXSNLFDSODR-UHFFFAOYSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)N(C(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C)C2)C(C)C ZINC000339435632 519572704 /nfs/dbraw/zinc/57/27/04/519572704.db2.gz DNOSJMHBWFNJFN-WMZOPIPTSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)N(C(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C)C2)C(C)C ZINC000339435632 519572708 /nfs/dbraw/zinc/57/27/08/519572708.db2.gz DNOSJMHBWFNJFN-WMZOPIPTSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)N(C[C@H](O)COc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000339408885 519653349 /nfs/dbraw/zinc/65/33/49/519653349.db2.gz FTDPLIHEUNWBGG-SJORKVTESA-N 1 3 306.450 2.136 20 0 DEADHO CC(C)[N@H+](C[C@H](O)COc1ccccc1)C[C@@H]1CCCNC1 ZINC000339408885 519653350 /nfs/dbraw/zinc/65/33/50/519653350.db2.gz FTDPLIHEUNWBGG-SJORKVTESA-N 1 3 306.450 2.136 20 0 DEADHO CC(C)[N@@H+](C[C@H](O)COc1ccccc1)C[C@@H]1CCCNC1 ZINC000339408885 519653352 /nfs/dbraw/zinc/65/33/52/519653352.db2.gz FTDPLIHEUNWBGG-SJORKVTESA-N 1 3 306.450 2.136 20 0 DEADHO CC(C)[C@H](CNC(=O)NCCN1CCC[C@@H](C)C1)[NH+]1CCCC1 ZINC000105127715 519815414 /nfs/dbraw/zinc/81/54/14/519815414.db2.gz HNBDZXFUAOQLRH-SJORKVTESA-N 1 3 324.513 2.138 20 0 DEADHO [NH3+]CC[C@H]1CCCN(CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000443070934 534654881 /nfs/dbraw/zinc/65/48/81/534654881.db2.gz LWWKFXZBOKLZBC-QGZVFWFLSA-N 1 3 315.461 2.238 20 0 DEADHO NC[C@@H](NC(=O)CC[C@@H]1CCC[NH2+]1)c1ccc2ccccc2c1 ZINC000294917418 534662389 /nfs/dbraw/zinc/66/23/89/534662389.db2.gz FJSDJOILEFXPHE-ZWKOTPCHSA-N 1 3 311.429 2.488 20 0 DEADHO C[C@H](CCc1c(F)cccc1F)[NH2+]CC1(O)CCN(C)CC1 ZINC000337995265 524231028 /nfs/dbraw/zinc/23/10/28/524231028.db2.gz LMPXQMBWFMCLEO-CYBMUJFWSA-N 1 3 312.404 2.332 20 0 DEADHO C(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1)COC1CCOCC1 ZINC000422914979 527486450 /nfs/dbraw/zinc/48/64/50/527486450.db2.gz ACZXAMZAZATCHN-KZNAEPCWSA-N 1 3 310.482 2.473 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2C[C@H](O)C(C)(C)C2)CC1 ZINC000448358309 527711323 /nfs/dbraw/zinc/71/13/23/527711323.db2.gz CDESGQSDQQPSKS-SFHVURJKSA-N 1 3 317.477 2.031 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2C[C@H](O)C(C)(C)C2)CC1 ZINC000448358309 527711327 /nfs/dbraw/zinc/71/13/27/527711327.db2.gz CDESGQSDQQPSKS-SFHVURJKSA-N 1 3 317.477 2.031 20 0 DEADHO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297613811 527742383 /nfs/dbraw/zinc/74/23/83/527742383.db2.gz KTDDNSUBZQUSBH-KBPBESRZSA-N 1 3 305.422 2.228 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)NCC2=CC[NH2+]CC2)cc1 ZINC000418362775 528143360 /nfs/dbraw/zinc/14/33/60/528143360.db2.gz VCSALCZGRAAXGM-QGZVFWFLSA-N 1 3 316.449 2.029 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)cc1 ZINC000417793192 528144668 /nfs/dbraw/zinc/14/46/68/528144668.db2.gz KEAWPIVMNMIHMV-XYPHTWIQSA-N 1 3 303.450 2.314 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1CCN(c2ccncc2)CC1)[C@@H](C)[NH3+] ZINC000423782662 528360598 /nfs/dbraw/zinc/36/05/98/528360598.db2.gz IWTAAKNFKGBTQV-RHSMWYFYSA-N 1 3 318.465 2.034 20 0 DEADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N[C@H](C)CC[NH3+] ZINC000418035345 528439140 /nfs/dbraw/zinc/43/91/40/528439140.db2.gz PDHPWLHJHRLYRR-NVXWUHKLSA-N 1 3 320.481 2.180 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000417390588 528457557 /nfs/dbraw/zinc/45/75/57/528457557.db2.gz KHCURBKCPDTWEK-KRWDZBQOSA-N 1 3 318.465 2.250 20 0 DEADHO CCN(CCNC(=O)N(CCC[NH3+])Cc1ccccc1)C1CC1 ZINC000417430117 528485306 /nfs/dbraw/zinc/48/53/06/528485306.db2.gz OOIVKTCTBQDDSB-UHFFFAOYSA-N 1 3 318.465 2.031 20 0 DEADHO CCCOc1ccc(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1OC ZINC000422824582 528689524 /nfs/dbraw/zinc/68/95/24/528689524.db2.gz HKCYRSFZVLZYOB-NUEKZKHPSA-N 1 3 322.449 2.326 20 0 DEADHO CCN(Cc1ccc(C(=O)NC2CC[NH2+]CC2)cc1)C1CC1 ZINC000428794807 528772888 /nfs/dbraw/zinc/77/28/88/528772888.db2.gz TZVUZDSREALFST-UHFFFAOYSA-N 1 3 301.434 2.153 20 0 DEADHO CCCC[C@@H](C[NH3+])NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000418447376 528802937 /nfs/dbraw/zinc/80/29/37/528802937.db2.gz PJJLEQKHCHVWCJ-KRWDZBQOSA-N 1 3 320.481 2.277 20 0 DEADHO CCN(C(=O)CN1CCC(C[NH3+])CC1)[C@@H](C)c1ccc(F)cc1 ZINC000430616126 528952375 /nfs/dbraw/zinc/95/23/75/528952375.db2.gz DUNINALTUKUYBX-AWEZNQCLSA-N 1 3 321.440 2.406 20 0 DEADHO CCN1CCN(Cc2ccc(N[C@H](C)[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000422922833 529149568 /nfs/dbraw/zinc/14/95/68/529149568.db2.gz QVXQNEREDIJQLD-SJLPKXTDSA-N 1 3 316.493 2.234 20 0 DEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H](C2CC2)[C@H]2CNCCO2)C1 ZINC000422911640 529297823 /nfs/dbraw/zinc/29/78/23/529297823.db2.gz UBGSOVAFWMPHAC-NXHRZFHOSA-N 1 3 323.525 2.244 20 0 DEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H](C2CC2)[C@H]2CNCCO2)C1 ZINC000422911640 529297825 /nfs/dbraw/zinc/29/78/25/529297825.db2.gz UBGSOVAFWMPHAC-NXHRZFHOSA-N 1 3 323.525 2.244 20 0 DEADHO CC[C@H](CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])Oc1ccccc1C ZINC000422918392 529369626 /nfs/dbraw/zinc/36/96/26/529369626.db2.gz HJAMHFNLDJZUDL-WCXIOVBPSA-N 1 3 306.450 2.494 20 0 DEADHO CC(=O)c1ccccc1OCCN1CCC2(C1)CC[NH2+]CC2 ZINC000358504455 534926676 /nfs/dbraw/zinc/92/66/76/534926676.db2.gz GOVOUMYOBUEQGI-UHFFFAOYSA-N 1 3 302.418 2.344 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000358111412 535171874 /nfs/dbraw/zinc/17/18/74/535171874.db2.gz MCSJQIACUUDDNL-HZPDHXFCSA-N 1 3 322.497 2.056 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000358111412 535171879 /nfs/dbraw/zinc/17/18/79/535171879.db2.gz MCSJQIACUUDDNL-HZPDHXFCSA-N 1 3 322.497 2.056 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000246491955 535172636 /nfs/dbraw/zinc/17/26/36/535172636.db2.gz SOVQILGYXMPWMZ-IAGOWNOFSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000246491955 535172642 /nfs/dbraw/zinc/17/26/42/535172642.db2.gz SOVQILGYXMPWMZ-IAGOWNOFSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H](CN)c2ccc(F)cc2)C1 ZINC000358860563 535174521 /nfs/dbraw/zinc/17/45/21/535174521.db2.gz DWNUPVCFAOULEW-RHSMWYFYSA-N 1 3 321.440 2.105 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H](CN)c2ccc(F)cc2)C1 ZINC000358860563 535174525 /nfs/dbraw/zinc/17/45/25/535174525.db2.gz DWNUPVCFAOULEW-RHSMWYFYSA-N 1 3 321.440 2.105 20 0 DEADHO CN1CCC[C@H](CNC(=O)C[C@H]2CCC[NH2+]2)[C@H]1c1cccs1 ZINC000246519183 536385471 /nfs/dbraw/zinc/38/54/71/536385471.db2.gz RDQYAPXHSPAAHD-CPUCHLNUSA-N 1 3 321.490 2.389 20 0 DEADHO COCCCOc1cccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000346835563 536626670 /nfs/dbraw/zinc/62/66/70/536626670.db2.gz TZELFELJYNUIJK-CGTJXYLNSA-N 1 3 304.434 2.271 20 0 DEADHO COc1ccccc1OCCN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357065340 537094227 /nfs/dbraw/zinc/09/42/27/537094227.db2.gz ANGDPPYITDRONM-INIZCTEOSA-N 1 3 304.434 2.396 20 0 DEADHO CC[C@H](C(=O)NC[C@H]([NH2+]Cc1cccc(F)c1)C(C)C)N(C)C ZINC001378997129 1152523098 /nfs/dbraw/zinc/52/30/98/1152523098.db2.gz ILYSDMPRXWUKBF-DLBZAZTESA-N 1 3 323.456 2.396 20 0 DEADHO CC[C@@H](F)CNC1(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001380152439 1152757947 /nfs/dbraw/zinc/75/79/47/1152757947.db2.gz MNDVEQHKSJCPIT-LSDHHAIUSA-N 1 3 313.461 2.237 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC(C)([NH2+]C/C=C/Cl)CC1 ZINC001381131411 1152921137 /nfs/dbraw/zinc/92/11/37/1152921137.db2.gz WBOACAIDEBZNBI-VMPITWQZSA-N 1 3 301.862 2.050 20 0 DEADHO C[N@H+](Cc1ccccc1)[C@H](CNc1ccncc1CO)C1CC1 ZINC000893254583 625315395 /nfs/dbraw/zinc/31/53/95/625315395.db2.gz AICNRBGZKZEPLL-LJQANCHMSA-N 1 3 311.429 2.318 20 0 DEADHO C[N@@H+](Cc1ccccc1)[C@H](CNc1ccncc1CO)C1CC1 ZINC000893254583 625315397 /nfs/dbraw/zinc/31/53/97/625315397.db2.gz AICNRBGZKZEPLL-LJQANCHMSA-N 1 3 311.429 2.318 20 0 DEADHO COC1CCN(C(C)(C)CN[C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925556440 625354912 /nfs/dbraw/zinc/35/49/12/625354912.db2.gz KMTKTAQRXDFBJO-MRXNPFEDSA-N 1 3 309.498 2.140 20 0 DEADHO CC(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]12 ZINC001026385859 625394055 /nfs/dbraw/zinc/39/40/55/625394055.db2.gz IGNPZDUITYZWCF-FGTMMUONSA-N 1 3 321.509 2.201 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H](C[NH2+]CC2CCC2)C1)N(C)C ZINC001024027046 625550065 /nfs/dbraw/zinc/55/00/65/625550065.db2.gz NQWMMOCRFSRYOF-SJORKVTESA-N 1 3 309.498 2.201 20 0 DEADHO COCC1(C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CCOCC1 ZINC000925675349 625593211 /nfs/dbraw/zinc/59/32/11/625593211.db2.gz WEZHMWLEKHYWRC-IAGOWNOFSA-N 1 3 310.482 2.188 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cc(C)sc2C)C1)N(C)C ZINC000969985680 623038393 /nfs/dbraw/zinc/03/83/93/623038393.db2.gz MDQWBQRYANYMMF-CVEARBPZSA-N 1 3 323.506 2.396 20 0 DEADHO CC(C)[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001024186088 625661029 /nfs/dbraw/zinc/66/10/29/625661029.db2.gz KUTFRARYYIROMA-IAGOWNOFSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[NH+]1CC([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000970911627 623785441 /nfs/dbraw/zinc/78/54/41/623785441.db2.gz ARDXSWWGSTVOIC-AWEZNQCLSA-N 1 3 303.450 2.207 20 0 DEADHO CCC[NH+]1CC([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000970916567 623789034 /nfs/dbraw/zinc/78/90/34/623789034.db2.gz LDIPFONMNHGDEP-CQSZACIVSA-N 1 3 303.450 2.208 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]2C[N@H+](CC3CC3)CC[C@H]21)C1CCC1 ZINC001021605820 623823740 /nfs/dbraw/zinc/82/37/40/623823740.db2.gz NSALEXTTWKVJEH-SJLPKXTDSA-N 1 3 319.493 2.194 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]2C[N@@H+](CC3CC3)CC[C@H]21)C1CCC1 ZINC001021605820 623823745 /nfs/dbraw/zinc/82/37/45/623823745.db2.gz NSALEXTTWKVJEH-SJLPKXTDSA-N 1 3 319.493 2.194 20 0 DEADHO CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021607707 623825002 /nfs/dbraw/zinc/82/50/02/623825002.db2.gz XQTFVXIJRIIRSD-RDJZCZTQSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021607707 623825006 /nfs/dbraw/zinc/82/50/06/623825006.db2.gz XQTFVXIJRIIRSD-RDJZCZTQSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021670777 623930662 /nfs/dbraw/zinc/93/06/62/623930662.db2.gz OMGFZKIJTXUHKQ-HZPDHXFCSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021670777 623930665 /nfs/dbraw/zinc/93/06/65/623930665.db2.gz OMGFZKIJTXUHKQ-HZPDHXFCSA-N 1 3 307.482 2.051 20 0 DEADHO CN(C)[C@H](CNC(=O)N(C)[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000891476041 624211310 /nfs/dbraw/zinc/21/13/10/624211310.db2.gz LPYNDBQLVAVFRD-DLBZAZTESA-N 1 3 318.465 2.025 20 0 DEADHO CN(C)[C@H](CNC(=O)N(C)[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000891476041 624211311 /nfs/dbraw/zinc/21/13/11/624211311.db2.gz LPYNDBQLVAVFRD-DLBZAZTESA-N 1 3 318.465 2.025 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCC2CCCC2)C1)C1CC1 ZINC000971679830 624502088 /nfs/dbraw/zinc/50/20/88/624502088.db2.gz VMYRCNRZLDARIE-QZTJIDSGSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCC2CCCC2)C1)C1CC1 ZINC000971679830 624502090 /nfs/dbraw/zinc/50/20/90/624502090.db2.gz VMYRCNRZLDARIE-QZTJIDSGSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC2CCCC2)C1)N(C)C ZINC000971728880 624524663 /nfs/dbraw/zinc/52/46/63/624524663.db2.gz GNZULBQEBVWFRC-SJORKVTESA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2CCCC2)C1)N(C)C ZINC000971728880 624524665 /nfs/dbraw/zinc/52/46/65/624524665.db2.gz GNZULBQEBVWFRC-SJORKVTESA-N 1 3 309.498 2.296 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2F)C1 ZINC001022710632 624860913 /nfs/dbraw/zinc/86/09/13/624860913.db2.gz MASWXTSLZFBBRU-CWRNSKLLSA-N 1 3 319.424 2.047 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCC2CCCC2)C1)N(C)C ZINC000972355371 624939482 /nfs/dbraw/zinc/93/94/82/624939482.db2.gz UZEPRKAVEZCHHV-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCC2CCCC2)C1)N(C)C ZINC000972355371 624939485 /nfs/dbraw/zinc/93/94/85/624939485.db2.gz UZEPRKAVEZCHHV-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC000978802316 634424172 /nfs/dbraw/zinc/42/41/72/634424172.db2.gz WMLVIOWMWMFEGN-ZJPYXAASSA-N 1 3 321.509 2.343 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC000978802316 634424177 /nfs/dbraw/zinc/42/41/77/634424177.db2.gz WMLVIOWMWMFEGN-ZJPYXAASSA-N 1 3 321.509 2.343 20 0 DEADHO CN(Cc1ccsc1)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001027680404 634432519 /nfs/dbraw/zinc/43/25/19/634432519.db2.gz DXEZCPRXHNLLAA-HZPDHXFCSA-N 1 3 321.490 2.123 20 0 DEADHO CN(Cc1ccsc1)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027680404 634432522 /nfs/dbraw/zinc/43/25/22/634432522.db2.gz DXEZCPRXHNLLAA-HZPDHXFCSA-N 1 3 321.490 2.123 20 0 DEADHO COc1ccc2nccc(N3CC[NH+](C(C)(C)CO)CC3)c2c1 ZINC000892544254 625132847 /nfs/dbraw/zinc/13/28/47/625132847.db2.gz TXFQKPZRYMHQHZ-UHFFFAOYSA-N 1 3 315.417 2.136 20 0 DEADHO C(N[C@H]1CC[NH2+]C12CCC2)C1(N2CCSCC2)CCCC1 ZINC000925541195 625273756 /nfs/dbraw/zinc/27/37/56/625273756.db2.gz AWUNPZQOYMHVRT-HNNXBMFYSA-N 1 3 309.523 2.222 20 0 DEADHO CCC1([NH3+])CCN(C(=O)NCCN2CCCC(C)(C)C2)CC1 ZINC000892932265 625726394 /nfs/dbraw/zinc/72/63/94/625726394.db2.gz DPPOBDWDNPEJTP-UHFFFAOYSA-N 1 3 310.486 2.021 20 0 DEADHO CC(C)=CCN1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001024446516 625770258 /nfs/dbraw/zinc/77/02/58/625770258.db2.gz DOCBGYIFHRHLAR-IXDOHACOSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)=CCN1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001024446516 625770266 /nfs/dbraw/zinc/77/02/66/625770266.db2.gz DOCBGYIFHRHLAR-IXDOHACOSA-N 1 3 307.482 2.264 20 0 DEADHO [O-]c1cc(Cl)cc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000892950256 625774579 /nfs/dbraw/zinc/77/45/79/625774579.db2.gz BITIQPPKCQDWLB-HNNXBMFYSA-N 1 3 312.841 2.372 20 0 DEADHO [O-]c1cc(Cl)cc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000892950256 625774587 /nfs/dbraw/zinc/77/45/87/625774587.db2.gz BITIQPPKCQDWLB-HNNXBMFYSA-N 1 3 312.841 2.372 20 0 DEADHO CC(C)(C(=O)N1CCC[C@@H]([NH2+]CC2CC2)C1)N1CCCCC1 ZINC000999152167 634499915 /nfs/dbraw/zinc/49/99/15/634499915.db2.gz JESJDYDIXOKZBZ-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518524 634507621 /nfs/dbraw/zinc/50/76/21/634507621.db2.gz VPBOOBCGIGPZME-KSZLIROESA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518524 634507628 /nfs/dbraw/zinc/50/76/28/634507628.db2.gz VPBOOBCGIGPZME-KSZLIROESA-N 1 3 321.509 2.297 20 0 DEADHO CC1CC(C[NH2+][C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000999354386 634564163 /nfs/dbraw/zinc/56/41/63/634564163.db2.gz PYMOLWGPBJLECL-UYSNPLJNSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC000999489725 634619628 /nfs/dbraw/zinc/61/96/28/634619628.db2.gz MGUWQGXKXWOQGV-DLBZAZTESA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001000195719 634784687 /nfs/dbraw/zinc/78/46/87/634784687.db2.gz ZUHSRSLSIYJVIG-AEFFLSMTSA-N 1 3 319.493 2.409 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]CCC2CC2)C(C)(C)C1 ZINC000995800238 633119574 /nfs/dbraw/zinc/11/95/74/633119574.db2.gz WXFTULDJUYHCIK-SJORKVTESA-N 1 3 321.509 2.486 20 0 DEADHO CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2ccsc2)C(C)(C)C1)N(C)C ZINC000995953459 633147108 /nfs/dbraw/zinc/14/71/08/633147108.db2.gz VLVHKTZCGUQFOQ-CABCVRRESA-N 1 3 323.506 2.415 20 0 DEADHO CC(C)=CCN1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974577837 633157010 /nfs/dbraw/zinc/15/70/10/633157010.db2.gz OBGBXIKSBPKDNF-DLBZAZTESA-N 1 3 319.493 2.121 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)C1)C1CC1 ZINC001026887548 633247723 /nfs/dbraw/zinc/24/77/23/633247723.db2.gz RCOAFMBNNHDCPJ-WMZOPIPTSA-N 1 3 319.493 2.265 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H](NCCF)C(C)(C)C1 ZINC000996377632 633250156 /nfs/dbraw/zinc/25/01/56/633250156.db2.gz BNNSEWOHLMIHSD-CABCVRRESA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H](NCCF)C(C)(C)C1 ZINC000996377632 633250159 /nfs/dbraw/zinc/25/01/59/633250159.db2.gz BNNSEWOHLMIHSD-CABCVRRESA-N 1 3 313.461 2.045 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001026916963 633263060 /nfs/dbraw/zinc/26/30/60/633263060.db2.gz UBYJLMCSKAFZKB-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]CC)C(C)(C)C1 ZINC000996504461 633269515 /nfs/dbraw/zinc/26/95/15/633269515.db2.gz DPJOZVRNAIEFBE-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C)C[N@@H+]1C[C@@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC000974768771 633292941 /nfs/dbraw/zinc/29/29/41/633292941.db2.gz UGGTZHHGUSTVAM-JKSUJKDBSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](C)C[N@H+]1C[C@@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC000974768771 633292980 /nfs/dbraw/zinc/29/29/80/633292980.db2.gz UGGTZHHGUSTVAM-JKSUJKDBSA-N 1 3 321.509 2.488 20 0 DEADHO CCCC[N@@H+]1C[C@@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC000974774961 633298771 /nfs/dbraw/zinc/29/87/71/633298771.db2.gz NOMUMYKYARBOOS-OAHLLOKOSA-N 1 3 307.482 2.242 20 0 DEADHO CCCC[N@H+]1C[C@@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC000974774961 633298776 /nfs/dbraw/zinc/29/87/76/633298776.db2.gz NOMUMYKYARBOOS-OAHLLOKOSA-N 1 3 307.482 2.242 20 0 DEADHO CCN1C[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975039985 633393716 /nfs/dbraw/zinc/39/37/16/633393716.db2.gz OLKQIGSGKPXVNE-SUMWQHHRSA-N 1 3 313.461 2.045 20 0 DEADHO CCN1C[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975039985 633393717 /nfs/dbraw/zinc/39/37/17/633393717.db2.gz OLKQIGSGKPXVNE-SUMWQHHRSA-N 1 3 313.461 2.045 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001027070559 633419621 /nfs/dbraw/zinc/41/96/21/633419621.db2.gz UBYJLMCSKAFZKB-RDJZCZTQSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]CC3CCCC3)CC2)C1 ZINC000997008513 633561146 /nfs/dbraw/zinc/56/11/46/633561146.db2.gz VCTKLGYLNVQRJR-HNNXBMFYSA-N 1 3 307.482 2.099 20 0 DEADHO CC[C@@H](C(=O)N1CCC([NH2+]CCC2CCCC2)CC1)N(C)C ZINC000997017308 633561934 /nfs/dbraw/zinc/56/19/34/633561934.db2.gz ZNNNGYNFQSTSPH-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1cc(C[NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)cs1 ZINC000997040351 633563163 /nfs/dbraw/zinc/56/31/63/633563163.db2.gz GBYIHHZDGUBMGU-UHFFFAOYSA-N 1 3 318.446 2.103 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC[C@H](O)c1cccc(Br)c1 ZINC000817929578 633569710 /nfs/dbraw/zinc/56/97/10/633569710.db2.gz INAXOMJFWCZDQM-KWBADKCTSA-N 1 3 301.228 2.198 20 0 DEADHO CCN1CCN(CCC[NH2+]Cc2ccc(OC)cc2C)CC1 ZINC000921527659 633614059 /nfs/dbraw/zinc/61/40/59/633614059.db2.gz PIPYTZWTFJZZOR-UHFFFAOYSA-N 1 3 305.466 2.121 20 0 DEADHO C[NH+](C)CCCC(C)(C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000836855073 650136583 /nfs/dbraw/zinc/13/65/83/650136583.db2.gz FQRGMQFARQZIJG-QGZVFWFLSA-N 1 3 315.477 2.436 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CCCC2)C1)N(C)C ZINC001027579002 634191967 /nfs/dbraw/zinc/19/19/67/634191967.db2.gz ZUMZPDRAJVSGSE-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CCCC2)C1)N(C)C ZINC001027579002 634191968 /nfs/dbraw/zinc/19/19/68/634191968.db2.gz ZUMZPDRAJVSGSE-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCC1 ZINC001027879616 634852661 /nfs/dbraw/zinc/85/26/61/634852661.db2.gz VOUOIPOMGLCFKG-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCC1 ZINC001027879616 634852664 /nfs/dbraw/zinc/85/26/64/634852664.db2.gz VOUOIPOMGLCFKG-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCC1 ZINC001027919416 634966257 /nfs/dbraw/zinc/96/62/57/634966257.db2.gz VWKHMCISOQSFCC-SJORKVTESA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCC1 ZINC001027919416 634966262 /nfs/dbraw/zinc/96/62/62/634966262.db2.gz VWKHMCISOQSFCC-SJORKVTESA-N 1 3 307.482 2.242 20 0 DEADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cs1 ZINC000980407105 634989409 /nfs/dbraw/zinc/98/94/09/634989409.db2.gz VKWGLZBADXEVCQ-HOTGVXAUSA-N 1 3 321.490 2.041 20 0 DEADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cs1 ZINC000980407105 634989412 /nfs/dbraw/zinc/98/94/12/634989412.db2.gz VKWGLZBADXEVCQ-HOTGVXAUSA-N 1 3 321.490 2.041 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCC1 ZINC001027985618 635168993 /nfs/dbraw/zinc/16/89/93/635168993.db2.gz LZBNVBPDMOYFMI-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCC1 ZINC001027985618 635168996 /nfs/dbraw/zinc/16/89/96/635168996.db2.gz LZBNVBPDMOYFMI-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1[C@H](C(=O)N2CCCN(CC3=CCCCC3)CC2)CC[N@@H+]1C ZINC000981194138 635360731 /nfs/dbraw/zinc/36/07/31/635360731.db2.gz LCUYMUFNQLKQHV-SJLPKXTDSA-N 1 3 319.493 2.361 20 0 DEADHO C[C@@H]1[C@H](C(=O)N2CCCN(CC3=CCCCC3)CC2)CC[N@H+]1C ZINC000981194138 635360737 /nfs/dbraw/zinc/36/07/37/635360737.db2.gz LCUYMUFNQLKQHV-SJLPKXTDSA-N 1 3 319.493 2.361 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC2CCC2)C1 ZINC001001005571 635377179 /nfs/dbraw/zinc/37/71/79/635377179.db2.gz DVTKDZKVVYBEHS-IRXDYDNUSA-N 1 3 307.482 2.242 20 0 DEADHO CCCC[N@H+]1CC=C(CNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001001473110 635504186 /nfs/dbraw/zinc/50/41/86/635504186.db2.gz WSMFNDHDGXSSCI-QGZVFWFLSA-N 1 3 307.482 2.409 20 0 DEADHO CCCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001001473110 635504193 /nfs/dbraw/zinc/50/41/93/635504193.db2.gz WSMFNDHDGXSSCI-QGZVFWFLSA-N 1 3 307.482 2.409 20 0 DEADHO CCCC[N@@H+]1CCCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC000982012402 635809502 /nfs/dbraw/zinc/80/95/02/635809502.db2.gz WFVAIGWANNANJI-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO CCCC[N@H+]1CCCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC000982012402 635809504 /nfs/dbraw/zinc/80/95/04/635809504.db2.gz WFVAIGWANNANJI-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@H+](CCC1CC1)C2)N(C)C ZINC000982018678 635816252 /nfs/dbraw/zinc/81/62/52/635816252.db2.gz IPVGCAOOLUDQTL-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](CCC1CC1)C2)N(C)C ZINC000982018678 635816256 /nfs/dbraw/zinc/81/62/56/635816256.db2.gz IPVGCAOOLUDQTL-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CN(Cc1ccccc1)C1(C[NH2+][C@@H]2CCC[C@H]2N)CCOCC1 ZINC000925832801 635823427 /nfs/dbraw/zinc/82/34/27/635823427.db2.gz FDRLLCQJOGWEGY-QZTJIDSGSA-N 1 3 317.477 2.137 20 0 DEADHO CC(C)C[N@@H+]1CCCN(C(=O)[C@H](C)N2CCCCCC2)CC1 ZINC000982081268 635863620 /nfs/dbraw/zinc/86/36/20/635863620.db2.gz NFMPECDACPEDHF-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)C[N@H+]1CCCN(C(=O)[C@H](C)N2CCCCCC2)CC1 ZINC000982081268 635863622 /nfs/dbraw/zinc/86/36/22/635863622.db2.gz NFMPECDACPEDHF-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@H]1CCCN1CC(=O)NC1CC[NH+](CCC(C)(C)C)CC1 ZINC001003627068 636007938 /nfs/dbraw/zinc/00/79/38/636007938.db2.gz BXDKYCOFUURXTQ-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO C[N@@H+]1CC[C@H](NC[C@@H]2CCCN2CC(F)(F)F)CC1(C)C ZINC000922705159 636337940 /nfs/dbraw/zinc/33/79/40/636337940.db2.gz FDPVGPMUGOORAL-STQMWFEESA-N 1 3 307.404 2.476 20 0 DEADHO C[N@H+]1CC[C@H](NC[C@@H]2CCCN2CC(F)(F)F)CC1(C)C ZINC000922705159 636337942 /nfs/dbraw/zinc/33/79/42/636337942.db2.gz FDPVGPMUGOORAL-STQMWFEESA-N 1 3 307.404 2.476 20 0 DEADHO CCO[C@H](C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C)CN(C)C ZINC000922757649 636380740 /nfs/dbraw/zinc/38/07/40/636380740.db2.gz IVAGPAHWIBWNLO-BHIYHBOVSA-N 1 3 319.493 2.063 20 0 DEADHO CC(C)[N@H+]1C[C@@H]2CCN(C(=O)CN(C)C3CCC3)CC[C@@H]2C1 ZINC000946623535 636475515 /nfs/dbraw/zinc/47/55/15/636475515.db2.gz LOJRCZICWCGMPP-IYBDPMFKSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)C3CCC3)CC[C@@H]2C1 ZINC000946623535 636475517 /nfs/dbraw/zinc/47/55/17/636475517.db2.gz LOJRCZICWCGMPP-IYBDPMFKSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)=CC[NH+]1CCC(N(C)C(=O)CN2CCC[C@@H]2C)CC1 ZINC001005990330 637044930 /nfs/dbraw/zinc/04/49/30/637044930.db2.gz DQGJVGBECMKZPK-INIZCTEOSA-N 1 3 307.482 2.360 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N(C)C1CC[NH+](CC2CCC2)CC1 ZINC001005990952 637050420 /nfs/dbraw/zinc/05/04/20/637050420.db2.gz KHJKKSJGCHQEMQ-OAHLLOKOSA-N 1 3 307.482 2.194 20 0 DEADHO CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000923267137 637067386 /nfs/dbraw/zinc/06/73/86/637067386.db2.gz PMTWKYDUDQBRBY-MSOLQXFVSA-N 1 3 315.461 2.099 20 0 DEADHO C[C@](C[NH3+])(NC[C@H](O)Cc1ccccc1C(F)(F)F)C1CC1 ZINC000923296460 637097795 /nfs/dbraw/zinc/09/77/95/637097795.db2.gz SFKWVPYFNJYJFB-UKRRQHHQSA-N 1 3 316.367 2.326 20 0 DEADHO C[C@](C[NH3+])(NC[C@@H](O)CO[C@H]1CCCc2ccccc21)C1CC1 ZINC000923296188 637097838 /nfs/dbraw/zinc/09/78/38/637097838.db2.gz OPMYKTYHOZKXGA-NZSAHSFTSA-N 1 3 318.461 2.159 20 0 DEADHO Cc1ccc(C)c(OC[C@@H](O)CN[C@](C)(C[NH3+])C(C)C)c1C ZINC000923297090 637098170 /nfs/dbraw/zinc/09/81/70/637098170.db2.gz YCHCNEKWAOHHQK-FUHWJXTLSA-N 1 3 308.466 2.315 20 0 DEADHO CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1CN(C)CC2)[NH+]1CCCCC1 ZINC000923297546 637098762 /nfs/dbraw/zinc/09/87/62/637098762.db2.gz CRAMBWSAEDFQPG-IKGGRYGDSA-N 1 3 307.482 2.192 20 0 DEADHO CN(Cc1ccccc1N1CCCC1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923320443 637114232 /nfs/dbraw/zinc/11/42/32/637114232.db2.gz YPFFXELXUIPEFR-KRWDZBQOSA-N 1 3 315.461 2.097 20 0 DEADHO Cc1ccccc1OC[C@H](O)CN1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000923385416 637154398 /nfs/dbraw/zinc/15/43/98/637154398.db2.gz AYVZGHPNTASRJZ-DJIMGWMZSA-N 1 3 306.450 2.184 20 0 DEADHO Cc1cccc(OC[C@@H](O)CN2CC[C@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000923414642 637167977 /nfs/dbraw/zinc/16/79/77/637167977.db2.gz MQOQDYVWVABQHY-QFBILLFUSA-N 1 3 320.477 2.432 20 0 DEADHO Clc1ccccc1SCCCN1CCNCC[NH2+]CC1 ZINC000923460203 637191452 /nfs/dbraw/zinc/19/14/52/637191452.db2.gz DBVFVPZVPOMAEH-UHFFFAOYSA-N 1 3 313.898 2.317 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC)C[C@H]2CC1 ZINC000946904321 637197593 /nfs/dbraw/zinc/19/75/93/637197593.db2.gz BAAVLGUFPKQTBM-BBWFWOEESA-N 1 3 307.482 2.051 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC)C[C@H]2CC1 ZINC000946904321 637197599 /nfs/dbraw/zinc/19/75/99/637197599.db2.gz BAAVLGUFPKQTBM-BBWFWOEESA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[C@@H](CC[NH3+])C1 ZINC000923493025 637210449 /nfs/dbraw/zinc/21/04/49/637210449.db2.gz RVMPOOKFXODJNL-PBQPPQDWSA-N 1 3 319.493 2.131 20 0 DEADHO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[C@H](CC[NH3+])C1 ZINC000923493023 637210647 /nfs/dbraw/zinc/21/06/47/637210647.db2.gz RVMPOOKFXODJNL-IWTAEOLZSA-N 1 3 319.493 2.131 20 0 DEADHO C[C@H](NC(=O)[C@H](C)N1CC[C@H](C[NH3+])[C@@H](C)C1)c1ccccc1 ZINC000923502372 637212442 /nfs/dbraw/zinc/21/24/42/637212442.db2.gz BLNISIPDVAOYOV-QBYUYEEZSA-N 1 3 303.450 2.169 20 0 DEADHO C[C@H](NC(=O)CN1CC[C@@H](C[NH3+])[C@@H](C)C1)c1ccccc1Cl ZINC000923502586 637212626 /nfs/dbraw/zinc/21/26/26/637212626.db2.gz CGCMIULJRCNYTE-IHRRRGAJSA-N 1 3 323.868 2.434 20 0 DEADHO C[C@@H]1CN(CC(=O)NCCCC2CCCCC2)CC[C@H]1C[NH3+] ZINC000923498947 637216209 /nfs/dbraw/zinc/21/62/09/637216209.db2.gz RCRMUVVJKOREKQ-WBVHZDCISA-N 1 3 309.498 2.380 20 0 DEADHO C[C@@H]([NH2+]CC1CCC1)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001029146424 637276114 /nfs/dbraw/zinc/27/61/14/637276114.db2.gz JIEFWQPVEGUHSE-JKSUJKDBSA-N 1 3 321.509 2.345 20 0 DEADHO c1ccc2c(c1)nccc2N1CCN(CC[NH+]2CCCC2)CC1 ZINC000839002831 637749787 /nfs/dbraw/zinc/74/97/87/637749787.db2.gz GHOSYDJONDXADF-UHFFFAOYSA-N 1 3 310.445 2.453 20 0 DEADHO CC(=O)Nc1cccc2c1CN(CC1CC[NH+](C)CC1)CC2 ZINC000895744798 638174982 /nfs/dbraw/zinc/17/49/82/638174982.db2.gz IQNGYKZCNYRCSP-UHFFFAOYSA-N 1 3 301.434 2.345 20 0 DEADHO CCC1([NH+]2CCC2)CCN(CC(C)(C)N2CCOCC2)CC1 ZINC000895823731 638217571 /nfs/dbraw/zinc/21/75/71/638217571.db2.gz YVWNLZXWDXZUCE-UHFFFAOYSA-N 1 3 309.498 2.048 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H](NC[C@@H]2CCCC[NH2+]2)C1 ZINC000841033609 650409976 /nfs/dbraw/zinc/40/99/76/650409976.db2.gz XGICVJFWKHHAOY-UPJWGTAASA-N 1 3 304.381 2.085 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)CCN1 ZINC000841060994 650417649 /nfs/dbraw/zinc/41/76/49/650417649.db2.gz CYUKVLHGZZOSGH-NVXWUHKLSA-N 1 3 316.493 2.452 20 0 DEADHO Cn1nc(C(F)(F)F)c(CN[C@H]2CC[C@@H](C[NH3+])C2)c1Cl ZINC000841084807 650425964 /nfs/dbraw/zinc/42/59/64/650425964.db2.gz PZHIEEKGRJVRRL-SFYZADRCSA-N 1 3 310.751 2.309 20 0 DEADHO Cn1nc(CNC2CCN(c3cc[nH+]cc3)CC2)cc1C1CC1 ZINC000897230106 639264124 /nfs/dbraw/zinc/26/41/24/639264124.db2.gz DZVROVFCNCMQOV-UHFFFAOYSA-N 1 3 311.433 2.451 20 0 DEADHO CN(CCF)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000985434460 639403210 /nfs/dbraw/zinc/40/32/10/639403210.db2.gz VHRXRPKZZYRHLO-UHFFFAOYSA-N 1 3 313.461 2.143 20 0 DEADHO C[N@H+](CC1CC(C)(C)C1)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029903726 639753510 /nfs/dbraw/zinc/75/35/10/639753510.db2.gz FGWOHNVKTSLJNH-INIZCTEOSA-N 1 3 321.509 2.299 20 0 DEADHO C[N@@H+](CC1CC(C)(C)C1)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029903726 639753515 /nfs/dbraw/zinc/75/35/15/639753515.db2.gz FGWOHNVKTSLJNH-INIZCTEOSA-N 1 3 321.509 2.299 20 0 DEADHO CC1CCN(CC(=O)N2CCC(C[N@H+](C)CC3CC3)CC2)CC1 ZINC001030005347 640032542 /nfs/dbraw/zinc/03/25/42/640032542.db2.gz GCIKGQGCRMYSLD-UHFFFAOYSA-N 1 3 321.509 2.299 20 0 DEADHO CC1CCN(CC(=O)N2CCC(C[N@@H+](C)CC3CC3)CC2)CC1 ZINC001030005347 640032547 /nfs/dbraw/zinc/03/25/47/640032547.db2.gz GCIKGQGCRMYSLD-UHFFFAOYSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@@H]1[C@@H]([NH2+]CCC2CCCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987059797 640072745 /nfs/dbraw/zinc/07/27/45/640072745.db2.gz SJGLUXMPFNNYMF-CJNGLKHVSA-N 1 3 304.438 2.112 20 0 DEADHO COC(=O)C1=C(C)O[C@H](C[N@H+](C)CC[C@H]2CCCCN2C)C1 ZINC000759854133 640127090 /nfs/dbraw/zinc/12/70/90/640127090.db2.gz KPWZOZOOWLCVEQ-CABCVRRESA-N 1 3 310.438 2.029 20 0 DEADHO COC(=O)C1=C(C)O[C@H](C[N@@H+](C)CC[C@H]2CCCCN2C)C1 ZINC000759854133 640127093 /nfs/dbraw/zinc/12/70/93/640127093.db2.gz KPWZOZOOWLCVEQ-CABCVRRESA-N 1 3 310.438 2.029 20 0 DEADHO C[C@H]1[C@@H]([NH2+]Cc2ccccc2F)CCN1C(=O)CN1CCCC1 ZINC000987520308 640211438 /nfs/dbraw/zinc/21/14/38/640211438.db2.gz QZXCWFOGYFSABQ-YOEHRIQHSA-N 1 3 319.424 2.001 20 0 DEADHO C[C@@H]1CN(C(=O)NCCCCCCC[NH+]2CCCC2)[C@@H](C)CN1 ZINC000841852071 650580012 /nfs/dbraw/zinc/58/00/12/650580012.db2.gz WUUOCZZSCSTBCN-SJORKVTESA-N 1 3 324.513 2.425 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CCC1 ZINC000763058782 640498031 /nfs/dbraw/zinc/49/80/31/640498031.db2.gz YKKWRDGDTFPGDV-KRWDZBQOSA-N 1 3 315.461 2.204 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CCC1 ZINC000763058782 640498036 /nfs/dbraw/zinc/49/80/36/640498036.db2.gz YKKWRDGDTFPGDV-KRWDZBQOSA-N 1 3 315.461 2.204 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](O)c2ccco2)[C@H](C)C1 ZINC000764767190 640690761 /nfs/dbraw/zinc/69/07/61/640690761.db2.gz GFOIHRGWRSASRF-OWCLPIDISA-N 1 3 310.438 2.040 20 0 DEADHO COc1cc(CNCc2ccc(CC[NH3+])cc2)cc(OC)c1 ZINC000841036132 640936293 /nfs/dbraw/zinc/93/62/93/640936293.db2.gz OWQNBUPSPJPSAW-UHFFFAOYSA-N 1 3 300.402 2.495 20 0 DEADHO CCc1noc(C)c1[C@@H](C)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000769870991 641303800 /nfs/dbraw/zinc/30/38/00/641303800.db2.gz CBRSNXSFECFZPW-UKRRQHHQSA-N 1 3 320.481 2.365 20 0 DEADHO O[C@@H](CN1CCC[C@@H](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000730062351 641333217 /nfs/dbraw/zinc/33/32/17/641333217.db2.gz LRTRYSQOHXGIDF-RBUKOAKNSA-N 1 3 302.462 2.398 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)CCN1 ZINC000841060995 641504606 /nfs/dbraw/zinc/50/46/06/641504606.db2.gz CYUKVLHGZZOSGH-RDJZCZTQSA-N 1 3 316.493 2.452 20 0 DEADHO CC[N@@H+]1CC[C@H](NC[C@H]2CCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000927000864 641572782 /nfs/dbraw/zinc/57/27/82/641572782.db2.gz GDAPUFNUHJDLCB-KFWWJZLASA-N 1 3 311.470 2.316 20 0 DEADHO CC[N@H+]1CC[C@H](NC[C@H]2CCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000927000864 641572785 /nfs/dbraw/zinc/57/27/85/641572785.db2.gz GDAPUFNUHJDLCB-KFWWJZLASA-N 1 3 311.470 2.316 20 0 DEADHO O[C@@H](CNC1CC(Sc2ccccc2)C1)C[NH+]1CCCC1 ZINC000924756029 642064684 /nfs/dbraw/zinc/06/46/84/642064684.db2.gz KIVBSKKCXQMMJD-CKDBGZEDSA-N 1 3 306.475 2.356 20 0 DEADHO C[C@](O)(C[NH2+]CCCN1CCCCC1)C(F)(F)C(F)(F)F ZINC000899861774 642195405 /nfs/dbraw/zinc/19/54/05/642195405.db2.gz YGTNVGPNOMMYIG-NSHDSACASA-N 1 3 318.330 2.401 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)N1CCC(C)CC1 ZINC000900404826 642358369 /nfs/dbraw/zinc/35/83/69/642358369.db2.gz AAQSJYXXFFEIPX-IXDOHACOSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)N1CCC(C)CC1 ZINC000900404826 642358372 /nfs/dbraw/zinc/35/83/72/642358372.db2.gz AAQSJYXXFFEIPX-IXDOHACOSA-N 1 3 307.482 2.240 20 0 DEADHO C[NH+]1CCC(CNC(=O)c2ccc(NC3=NCCC3)cc2)CC1 ZINC000900486053 642384540 /nfs/dbraw/zinc/38/45/40/642384540.db2.gz VISGQFQLGQVTJI-UHFFFAOYSA-N 1 3 314.433 2.362 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000900536778 642402536 /nfs/dbraw/zinc/40/25/36/642402536.db2.gz CDZKYMDKRAJSSF-UHFFFAOYSA-N 1 3 304.438 2.067 20 0 DEADHO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900694467 642439369 /nfs/dbraw/zinc/43/93/69/642439369.db2.gz IQERZBSKKFJMLD-CYBMUJFWSA-N 1 3 302.422 2.361 20 0 DEADHO CN(C)CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C1CCCC1 ZINC000900685306 642444204 /nfs/dbraw/zinc/44/42/04/642444204.db2.gz RABXFMCJCCXOGI-IAGOWNOFSA-N 1 3 307.482 2.336 20 0 DEADHO CN(C)CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C1CCCC1 ZINC000900685306 642444207 /nfs/dbraw/zinc/44/42/07/642444207.db2.gz RABXFMCJCCXOGI-IAGOWNOFSA-N 1 3 307.482 2.336 20 0 DEADHO CN(C(=O)c1ccc(NC2=NCCC2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000900830024 642484661 /nfs/dbraw/zinc/48/46/61/642484661.db2.gz MGIKCLCFOJITSA-INIZCTEOSA-N 1 3 314.433 2.457 20 0 DEADHO CN(C(=O)c1ccc(NC2=NCCC2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000900830024 642484665 /nfs/dbraw/zinc/48/46/65/642484665.db2.gz MGIKCLCFOJITSA-INIZCTEOSA-N 1 3 314.433 2.457 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000901362123 642638077 /nfs/dbraw/zinc/63/80/77/642638077.db2.gz SGHASCZIEBSLIM-JQHSSLGASA-N 1 3 317.477 2.353 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000901362123 642638079 /nfs/dbraw/zinc/63/80/79/642638079.db2.gz SGHASCZIEBSLIM-JQHSSLGASA-N 1 3 317.477 2.353 20 0 DEADHO C[C@H](C[C@H]1COCC[NH2+]1)N[C@H](C)c1cnn(CC2CCC2)c1 ZINC000902502393 643053762 /nfs/dbraw/zinc/05/37/62/643053762.db2.gz FAZAQEUJGFGVST-CPUCHLNUSA-N 1 3 306.454 2.101 20 0 DEADHO C[C@H](N[C@H]1C[C@H](C[NH3+])C1)c1cc(Br)ncc1F ZINC000902484167 643057194 /nfs/dbraw/zinc/05/71/94/643057194.db2.gz FBUIPZDDRNVTAY-CIUDSAMLSA-N 1 3 302.191 2.371 20 0 DEADHO CO[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000903073791 643247625 /nfs/dbraw/zinc/24/76/25/643247625.db2.gz KTNLTYTXXUAQLJ-OALUTQOASA-N 1 3 317.477 2.091 20 0 DEADHO FC(F)CN1CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903205971 643288321 /nfs/dbraw/zinc/28/83/21/643288321.db2.gz NJJPTVBQNWOCKI-WDVRLDOZSA-N 1 3 313.436 2.463 20 0 DEADHO FC(F)CN1CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903205971 643288326 /nfs/dbraw/zinc/28/83/26/643288326.db2.gz NJJPTVBQNWOCKI-WDVRLDOZSA-N 1 3 313.436 2.463 20 0 DEADHO C[C@@H]1C[C@@]2(CC[C@H](CNC3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)O2)CO1 ZINC000903219175 643293862 /nfs/dbraw/zinc/29/38/62/643293862.db2.gz GMVYGLBGPSJXFO-VSIVXFRVSA-N 1 3 320.477 2.460 20 0 DEADHO C[C@@H]1C[C@@]2(CC[C@H](CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)O2)CO1 ZINC000903219175 643293864 /nfs/dbraw/zinc/29/38/64/643293864.db2.gz GMVYGLBGPSJXFO-VSIVXFRVSA-N 1 3 320.477 2.460 20 0 DEADHO CCCCCCNC(=O)[C@H]1CCCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903432998 643347443 /nfs/dbraw/zinc/34/74/43/643347443.db2.gz QAZJFSUYIHNDGP-IKGGRYGDSA-N 1 3 309.498 2.250 20 0 DEADHO O=C1CCCCN1CC1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903731605 643442726 /nfs/dbraw/zinc/44/27/26/643442726.db2.gz BSNFIFNNXMFENE-KRWDZBQOSA-N 1 3 307.482 2.101 20 0 DEADHO c1cncc([C@H]2CCCN2C[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903753507 643447499 /nfs/dbraw/zinc/44/74/99/643447499.db2.gz VKKPUZSDAXYZBN-IAGOWNOFSA-N 1 3 301.434 2.377 20 0 DEADHO NC[C@]12CC[C@@H]1CCC[N@@H+]2C[C@H]1CCC2(CCOCC2)CO1 ZINC000903804731 643468695 /nfs/dbraw/zinc/46/86/95/643468695.db2.gz ICNHUKPBKFGADA-LZLYRXPVSA-N 1 3 308.466 2.166 20 0 DEADHO NC[C@]12CC[C@@H]1CCC[N@H+]2C[C@H]1CCC2(CCOCC2)CO1 ZINC000903804731 643468696 /nfs/dbraw/zinc/46/86/96/643468696.db2.gz ICNHUKPBKFGADA-LZLYRXPVSA-N 1 3 308.466 2.166 20 0 DEADHO CC[N@H+](CCc1ccccc1)C[C@@H](CN)Cc1cnn(C)c1C ZINC000903885630 643497948 /nfs/dbraw/zinc/49/79/48/643497948.db2.gz NUWIDGUVDGWYNF-GOSISDBHSA-N 1 3 314.477 2.411 20 0 DEADHO CC[N@@H+](CCc1ccccc1)C[C@@H](CN)Cc1cnn(C)c1C ZINC000903885630 643497949 /nfs/dbraw/zinc/49/79/49/643497949.db2.gz NUWIDGUVDGWYNF-GOSISDBHSA-N 1 3 314.477 2.411 20 0 DEADHO Cc1c(C[C@H](C[NH3+])CN(C)C[C@@H](C)c2nccs2)cnn1C ZINC000903902422 643502658 /nfs/dbraw/zinc/50/26/58/643502658.db2.gz GCUQMPYIUWOADO-TZMCWYRMSA-N 1 3 321.494 2.038 20 0 DEADHO CSc1ccc(CNC[C@H](C[NH3+])Cc2cnn(C)c2C)cc1 ZINC000903927545 643511457 /nfs/dbraw/zinc/51/14/57/643511457.db2.gz SPYOWVPKOMDDNS-HNNXBMFYSA-N 1 3 318.490 2.358 20 0 DEADHO FC1(F)CCNC[C@H]1C[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000903955777 643528912 /nfs/dbraw/zinc/52/89/12/643528912.db2.gz YSVGJHCKDBBXLT-NSHDSACASA-N 1 3 312.389 2.473 20 0 DEADHO Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@H]2CNCCC2(F)F)o1 ZINC000903956112 643530055 /nfs/dbraw/zinc/53/00/55/643530055.db2.gz HATVTDAJWDBWIG-CYBMUJFWSA-N 1 3 324.375 2.323 20 0 DEADHO Cc1c(C[C@H](C[NH3+])CN2CCC(F)(C3CC3)CC2)cnn1C ZINC000904389605 643651627 /nfs/dbraw/zinc/65/16/27/643651627.db2.gz OPEAVIMKFBBSPE-CQSZACIVSA-N 1 3 308.445 2.060 20 0 DEADHO C[NH+](C)CC1(CNC[C@H](O)C[C@H](O)c2ccccc2)CCCC1 ZINC000905215146 643833972 /nfs/dbraw/zinc/83/39/72/643833972.db2.gz YEPCVTGQDYBKSG-MSOLQXFVSA-N 1 3 320.477 2.183 20 0 DEADHO CCN1CCN(c2ccc(NC[C@@H]3CCC[NH2+]3)c(C)c2)CC1 ZINC000843125811 650901201 /nfs/dbraw/zinc/90/12/01/650901201.db2.gz JAUTZYMXMZHKSK-INIZCTEOSA-N 1 3 302.466 2.301 20 0 DEADHO COC(=O)COc1c(C)cc(CN[C@H](C)C[C@H](C)[NH3+])cc1C ZINC000843129939 650902759 /nfs/dbraw/zinc/90/27/59/650902759.db2.gz UZOPPJXQCGUCNE-UONOGXRCSA-N 1 3 308.422 2.071 20 0 DEADHO Cc1cc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)n(C)n1 ZINC000793529684 644268029 /nfs/dbraw/zinc/26/80/29/644268029.db2.gz TXJVCGUBIXEVEJ-JYJNAYRXSA-N 1 3 308.470 2.269 20 0 DEADHO C[NH2+]CC1CCN([C@H]2CCCN(c3ccc(C)cc3)C2=O)CC1 ZINC000843349074 650954717 /nfs/dbraw/zinc/95/47/17/650954717.db2.gz GEXPKOIRNAPRQV-SFHVURJKSA-N 1 3 315.461 2.422 20 0 DEADHO C[N@@H+]1CC[C@H](NC[C@H](O)c2c(F)cccc2F)[C@H]2CCC[C@H]21 ZINC000796817952 644797684 /nfs/dbraw/zinc/79/76/84/644797684.db2.gz OPKHHQPCSYSNBC-CAPXZKIUSA-N 1 3 310.388 2.461 20 0 DEADHO C[N@H+]1CC[C@H](NC[C@H](O)c2c(F)cccc2F)[C@H]2CCC[C@H]21 ZINC000796817952 644797689 /nfs/dbraw/zinc/79/76/89/644797689.db2.gz OPKHHQPCSYSNBC-CAPXZKIUSA-N 1 3 310.388 2.461 20 0 DEADHO C[N@@H+]1CC[C@H](NCc2n[nH]c(-c3ccccc3)n2)[C@H]2CCC[C@@H]21 ZINC000796895210 644808906 /nfs/dbraw/zinc/80/89/06/644808906.db2.gz ACZLPQOJCCXZCR-PMPSAXMXSA-N 1 3 311.433 2.434 20 0 DEADHO C[N@H+]1CC[C@H](NCc2n[nH]c(-c3ccccc3)n2)[C@H]2CCC[C@@H]21 ZINC000796895210 644808914 /nfs/dbraw/zinc/80/89/14/644808914.db2.gz ACZLPQOJCCXZCR-PMPSAXMXSA-N 1 3 311.433 2.434 20 0 DEADHO Cc1cc(=O)oc2cc(OCCN3C[C@H](C[NH3+])C[C@H]3C)ccc12 ZINC000843362456 650957821 /nfs/dbraw/zinc/95/78/21/650957821.db2.gz HNXMDHXQEKCLAC-KGLIPLIRSA-N 1 3 316.401 2.149 20 0 DEADHO Cc1ccc(N2CC[C@H](N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)C2=O)cc1 ZINC000843367117 650959380 /nfs/dbraw/zinc/95/93/80/650959380.db2.gz AGWZUHKFRUVTPZ-DKIMLUQUSA-N 1 3 313.445 2.160 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000799028935 645110898 /nfs/dbraw/zinc/11/08/98/645110898.db2.gz IPDPMSIJMCTCFE-HOTGVXAUSA-N 1 3 307.482 2.194 20 0 DEADHO C[NH2+]Cc1cccc(NC(=O)c2cccc3c2OCCNC3)c1 ZINC000911692218 645785728 /nfs/dbraw/zinc/78/57/28/645785728.db2.gz MWAXEHZHCYOKEQ-UHFFFAOYSA-N 1 3 311.385 2.140 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806130755 645801592 /nfs/dbraw/zinc/80/15/92/645801592.db2.gz BTXIGLFSZXQGBD-HNNXBMFYSA-N 1 3 322.884 2.340 20 0 DEADHO CN1CCN(CC[NH2+][C@H]2CCc3nc(Cl)ccc32)CC1(C)C ZINC000806163529 645805081 /nfs/dbraw/zinc/80/50/81/645805081.db2.gz GPUXZUZONPWOFO-AWEZNQCLSA-N 1 3 322.884 2.338 20 0 DEADHO O=C(Nc1ccc2c(c1)C[NH2+]CC2)c1ccc2c(c1)OCCNC2 ZINC000911811162 645837981 /nfs/dbraw/zinc/83/79/81/645837981.db2.gz QZZFWSFFWJKFAB-UHFFFAOYSA-N 1 3 323.396 2.067 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000912039689 645914329 /nfs/dbraw/zinc/91/43/29/645914329.db2.gz DNOLOXVTOMONFU-KRWDZBQOSA-N 1 3 318.465 2.032 20 0 DEADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000912064792 645923618 /nfs/dbraw/zinc/92/36/18/645923618.db2.gz GFQHUXTXPMAXNW-VQHPVUNQSA-N 1 3 305.466 2.136 20 0 DEADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000912064792 645923622 /nfs/dbraw/zinc/92/36/22/645923622.db2.gz GFQHUXTXPMAXNW-VQHPVUNQSA-N 1 3 305.466 2.136 20 0 DEADHO O=C(NC[C@@H]1CCN1C1CCCC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000913160178 646277854 /nfs/dbraw/zinc/27/78/54/646277854.db2.gz VGWLRZKZNXWNAQ-ULQDDVLXSA-N 1 3 305.466 2.136 20 0 DEADHO O=C(NC[C@@H]1CCN1C1CCCC1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000913160178 646277859 /nfs/dbraw/zinc/27/78/59/646277859.db2.gz VGWLRZKZNXWNAQ-ULQDDVLXSA-N 1 3 305.466 2.136 20 0 DEADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810221327 646341056 /nfs/dbraw/zinc/34/10/56/646341056.db2.gz DOEDQFWSEXPSEL-XJKSGUPXSA-N 1 3 301.450 2.045 20 0 DEADHO CC[N@@H+]1CC[C@]2(NC(=O)c3cccc(CN(C)C)c3)CCC[C@H]12 ZINC000992505934 647078037 /nfs/dbraw/zinc/07/80/37/647078037.db2.gz IMRCXIRONSKMPM-PKOBYXMFSA-N 1 3 315.461 2.495 20 0 DEADHO CC[N@H+]1CC[C@]2(NC(=O)c3cccc(CN(C)C)c3)CCC[C@H]12 ZINC000992505934 647078041 /nfs/dbraw/zinc/07/80/41/647078041.db2.gz IMRCXIRONSKMPM-PKOBYXMFSA-N 1 3 315.461 2.495 20 0 DEADHO C[NH+]1CCC2(CCCN(Cc3cnn(CC(F)F)c3)C2)CC1 ZINC000816598615 647157108 /nfs/dbraw/zinc/15/71/08/647157108.db2.gz JTJHSTHNJINJTI-UHFFFAOYSA-N 1 3 312.408 2.456 20 0 DEADHO CC(C)Oc1ccc([C@H](O)CN[C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000817895079 647374160 /nfs/dbraw/zinc/37/41/60/647374160.db2.gz UTKHRYIGZQSVDV-BMGDILEWSA-N 1 3 306.450 2.485 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000817917088 647381002 /nfs/dbraw/zinc/38/10/02/647381002.db2.gz NEQUYFOULBBWNS-VCTAVGKDSA-N 1 3 300.805 2.490 20 0 DEADHO C[C@H](CC(=O)Nc1cccnc1Cl)NC[C@]1(C)CCC[NH2+]C1 ZINC000817965406 647396021 /nfs/dbraw/zinc/39/60/21/647396021.db2.gz UITYCWALLDWAGM-MLGOLLRUSA-N 1 3 324.856 2.431 20 0 DEADHO CC[NH2+]CC(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000818609516 647488336 /nfs/dbraw/zinc/48/83/36/647488336.db2.gz STGZOYYKDHGNOH-UHFFFAOYSA-N 1 3 323.868 2.374 20 0 DEADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(N2CCNC2=O)cc1 ZINC000818616442 647489196 /nfs/dbraw/zinc/48/91/96/647489196.db2.gz XKTRPUQPBWZMCX-DAXOMENPSA-N 1 3 302.422 2.137 20 0 DEADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccccc1 ZINC000819173729 647600778 /nfs/dbraw/zinc/60/07/78/647600778.db2.gz MKXQKNWAWGWRFL-CEXWTWQISA-N 1 3 318.461 2.078 20 0 DEADHO CN(CC1CC[NH+](C)CC1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000154772036 648093881 /nfs/dbraw/zinc/09/38/81/648093881.db2.gz LVAQSRBLZYVTRS-GOSISDBHSA-N 1 3 315.461 2.456 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@@H]1CCCC1(F)F ZINC000824826554 648658170 /nfs/dbraw/zinc/65/81/70/648658170.db2.gz KTDGQJYDQNCMFD-KBPBESRZSA-N 1 3 319.440 2.200 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@@H]1CCCC1(F)F ZINC000824826554 648658173 /nfs/dbraw/zinc/65/81/73/648658173.db2.gz KTDGQJYDQNCMFD-KBPBESRZSA-N 1 3 319.440 2.200 20 0 DEADHO CCc1ccc2nccc(NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)c2c1 ZINC000827496397 649043426 /nfs/dbraw/zinc/04/34/26/649043426.db2.gz JDIDHSRGFLFANC-HOTGVXAUSA-N 1 3 311.429 2.494 20 0 DEADHO CCc1ccc2nccc(NC[C@H]3C[N@H+]4CCC[C@H]4CO3)c2c1 ZINC000827496397 649043432 /nfs/dbraw/zinc/04/34/32/649043432.db2.gz JDIDHSRGFLFANC-HOTGVXAUSA-N 1 3 311.429 2.494 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)C[C@@H]([NH3+])C2CC2)N2CCCC2)cc1 ZINC000827920401 649105798 /nfs/dbraw/zinc/10/57/98/649105798.db2.gz YQWSXVIMXYNLOP-QZTJIDSGSA-N 1 3 315.461 2.376 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000831960663 649664076 /nfs/dbraw/zinc/66/40/76/649664076.db2.gz MPPQYXSXOZVXCB-SZMVWBNQSA-N 1 3 315.461 2.155 20 0 DEADHO CC[NH2+]CC(=O)N(CC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000844177673 651086986 /nfs/dbraw/zinc/08/69/86/651086986.db2.gz MAOWEOQKFZXHMQ-DOTOQJQBSA-N 1 3 303.450 2.280 20 0 DEADHO CCCCCCN(C)CC(=O)NCc1ccc(C[NH3+])cc1F ZINC000846693649 651346565 /nfs/dbraw/zinc/34/65/65/651346565.db2.gz MBQZIJIUGLTNPW-UHFFFAOYSA-N 1 3 309.429 2.413 20 0 DEADHO CC(=O)C1CCN(CCCC[NH+]2CCC(C(C)=O)CC2)CC1 ZINC000846947594 651364048 /nfs/dbraw/zinc/36/40/48/651364048.db2.gz VIOSJKUFTFGGLV-UHFFFAOYSA-N 1 3 308.466 2.369 20 0 DEADHO C[C@H](O)c1ccc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000848527246 651467430 /nfs/dbraw/zinc/46/74/30/651467430.db2.gz WGEWXWJAFKQYQS-HNAYVOBHSA-N 1 3 318.461 2.473 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](NC[C@H](O)c2ccccc2Br)C1 ZINC000848722663 651498768 /nfs/dbraw/zinc/49/87/68/651498768.db2.gz QZGKJJSDWSDCOU-SUNKGSAMSA-N 1 3 313.239 2.342 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC000849024531 651586720 /nfs/dbraw/zinc/58/67/20/651586720.db2.gz LAKDFNZFLAIFMY-BHYGNILZSA-N 1 3 316.449 2.149 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@]1(C)CC1(Cl)Cl ZINC000849035696 651590762 /nfs/dbraw/zinc/59/07/62/651590762.db2.gz OIMXIMRLUPNCLN-CMPLNLGQSA-N 1 3 307.269 2.169 20 0 DEADHO CC(C)C[C@H](C)C[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001389801144 1155435734 /nfs/dbraw/zinc/43/57/34/1155435734.db2.gz XNSLVARWVCKNMZ-YESZJQIVSA-N 1 3 311.514 2.445 20 0 DEADHO COCC[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856597167 651955585 /nfs/dbraw/zinc/95/55/85/651955585.db2.gz FMMFCEHNIBAVNV-KRWDZBQOSA-N 1 3 307.438 2.021 20 0 DEADHO COCC[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856597167 651955586 /nfs/dbraw/zinc/95/55/86/651955586.db2.gz FMMFCEHNIBAVNV-KRWDZBQOSA-N 1 3 307.438 2.021 20 0 DEADHO CN1CCC[C@@H]1CNC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857044052 652038451 /nfs/dbraw/zinc/03/84/51/652038451.db2.gz HIAIYQOBVZOCQW-ZWKOTPCHSA-N 1 3 315.461 2.320 20 0 DEADHO CN1CCC[C@@H]1CNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857044052 652038455 /nfs/dbraw/zinc/03/84/55/652038455.db2.gz HIAIYQOBVZOCQW-ZWKOTPCHSA-N 1 3 315.461 2.320 20 0 DEADHO C[C@@H](F)CC[N@@H+]1CCC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001390034729 1155504517 /nfs/dbraw/zinc/50/45/17/1155504517.db2.gz HUPUKQYHUTUYNU-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H](F)CC[N@H+]1CCC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001390034729 1155504529 /nfs/dbraw/zinc/50/45/29/1155504529.db2.gz HUPUKQYHUTUYNU-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccnc(F)c2)[C@H](C)C1 ZINC000858139344 652264000 /nfs/dbraw/zinc/26/40/00/652264000.db2.gz RTLDUAMMAUOHJM-GDBMZVCRSA-N 1 3 309.429 2.447 20 0 DEADHO CC1(C)OC[C@H](C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)O1 ZINC000852000577 652308664 /nfs/dbraw/zinc/30/86/64/652308664.db2.gz XMJOEKDATAHBEE-KSZLIROESA-N 1 3 316.445 2.202 20 0 DEADHO CC1(C)OC[C@H](C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)O1 ZINC000852000577 652308670 /nfs/dbraw/zinc/30/86/70/652308670.db2.gz XMJOEKDATAHBEE-KSZLIROESA-N 1 3 316.445 2.202 20 0 DEADHO CCC[N@@H+]1CC[C@@H](NC(=O)C[C@H](N)c2cc(C)nc(Cl)c2)C1 ZINC000852864539 652472176 /nfs/dbraw/zinc/47/21/76/652472176.db2.gz ZOHOSOFDVLEKPY-KGLIPLIRSA-N 1 3 324.856 2.034 20 0 DEADHO CCC[N@H+]1CC[C@@H](NC(=O)C[C@H](N)c2cc(C)nc(Cl)c2)C1 ZINC000852864539 652472178 /nfs/dbraw/zinc/47/21/78/652472178.db2.gz ZOHOSOFDVLEKPY-KGLIPLIRSA-N 1 3 324.856 2.034 20 0 DEADHO CCOC(=O)N1CCC([NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC000853094058 652501063 /nfs/dbraw/zinc/50/10/63/652501063.db2.gz XEOKCGOBEWJHRR-INIZCTEOSA-N 1 3 323.481 2.319 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(N2CCCNC2=O)cc1 ZINC000854232951 652662654 /nfs/dbraw/zinc/66/26/54/652662654.db2.gz YCNWAKYXDZSXED-DOTOQJQBSA-N 1 3 316.449 2.213 20 0 DEADHO CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001392193522 1156887077 /nfs/dbraw/zinc/88/70/77/1156887077.db2.gz QSAVDCIDDXHFJC-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C[NH2+]CC1CC1)C1CCCC1)N(C)C ZINC001393074922 1157657717 /nfs/dbraw/zinc/65/77/17/1157657717.db2.gz AJKSKCDRSKUOAQ-DLBZAZTESA-N 1 3 309.498 2.247 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]Cc2ccsc2)C1)N(C)C ZINC001393159060 1157728608 /nfs/dbraw/zinc/72/86/08/1157728608.db2.gz JAUIFSCWGYUPAB-DOTOQJQBSA-N 1 3 323.506 2.417 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCC(C)C)C1 ZINC001374561180 1157905259 /nfs/dbraw/zinc/90/52/59/1157905259.db2.gz HZGYUHJTICDFNY-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCC(C)C)C1 ZINC001374561180 1157905267 /nfs/dbraw/zinc/90/52/67/1157905267.db2.gz HZGYUHJTICDFNY-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001394375134 1158446110 /nfs/dbraw/zinc/44/61/10/1158446110.db2.gz IPZABXLJWCZNMX-JYJNAYRXSA-N 1 3 311.514 2.495 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)C2(N(C)C)CCC2)[NH+](C)C)cc1 ZINC000158568528 684299934 /nfs/dbraw/zinc/29/99/34/684299934.db2.gz OLQCWQCIEJTOJJ-QGZVFWFLSA-N 1 3 317.477 2.452 20 0 DEADHO CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001054197010 693877641 /nfs/dbraw/zinc/87/76/41/693877641.db2.gz QWWMCMWUMZTATL-GOSISDBHSA-N 1 3 307.482 2.053 20 0 DEADHO CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001054197010 693877643 /nfs/dbraw/zinc/87/76/43/693877643.db2.gz QWWMCMWUMZTATL-GOSISDBHSA-N 1 3 307.482 2.053 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001054197978 693879594 /nfs/dbraw/zinc/87/95/94/693879594.db2.gz MOPLWJDQFXSTQZ-VQIMIIECSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001054197978 693879598 /nfs/dbraw/zinc/87/95/98/693879598.db2.gz MOPLWJDQFXSTQZ-VQIMIIECSA-N 1 3 319.493 2.195 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CC2CC(C)C2)C1)N(C)C ZINC001054297962 693919433 /nfs/dbraw/zinc/91/94/33/693919433.db2.gz FDMWHIQGQPLUMO-BHUNQDJPSA-N 1 3 309.498 2.199 20 0 DEADHO CCN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000861889968 686200803 /nfs/dbraw/zinc/20/08/03/686200803.db2.gz ARJSMTGPSYUWAB-KRWDZBQOSA-N 1 3 313.461 2.142 20 0 DEADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000862547014 686320015 /nfs/dbraw/zinc/32/00/15/686320015.db2.gz XNCGRJMXPLYMBO-IAGOWNOFSA-N 1 3 316.445 2.249 20 0 DEADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000862547014 686320022 /nfs/dbraw/zinc/32/00/22/686320022.db2.gz XNCGRJMXPLYMBO-IAGOWNOFSA-N 1 3 316.445 2.249 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@H](N[C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000863484916 686509132 /nfs/dbraw/zinc/50/91/32/686509132.db2.gz PYQWCZNNOCTHKA-NDBYEHHHSA-N 1 3 304.381 2.084 20 0 DEADHO Cc1cc(C)nc(CN(C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000930112635 694092831 /nfs/dbraw/zinc/09/28/31/694092831.db2.gz FWZQOTLEMOVGRK-UHFFFAOYSA-N 1 3 304.482 2.156 20 0 DEADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cnc(Cl)c(F)c1 ZINC000865622881 687281226 /nfs/dbraw/zinc/28/12/26/687281226.db2.gz FKCGQMZXRSXAGQ-LBPRGKRZSA-N 1 3 316.852 2.236 20 0 DEADHO CC1(C)CCNCC[N@@H+]1CCC(=O)Nc1cc(F)cc(F)c1 ZINC000866700022 687657383 /nfs/dbraw/zinc/65/73/83/687657383.db2.gz YYRDFIQAPNLVNA-UHFFFAOYSA-N 1 3 311.376 2.367 20 0 DEADHO CC1(C)CCNCC[N@H+]1CCC(=O)Nc1cc(F)cc(F)c1 ZINC000866700022 687657388 /nfs/dbraw/zinc/65/73/88/687657388.db2.gz YYRDFIQAPNLVNA-UHFFFAOYSA-N 1 3 311.376 2.367 20 0 DEADHO CC1(C)CCNCC[N@@H+]1CCC(=O)N1CCc2ccccc21 ZINC000866700506 687657849 /nfs/dbraw/zinc/65/78/49/687657849.db2.gz YXEYBXGQZNWKNJ-UHFFFAOYSA-N 1 3 301.434 2.040 20 0 DEADHO CC1(C)CCNCC[N@H+]1CCC(=O)N1CCc2ccccc21 ZINC000866700506 687657852 /nfs/dbraw/zinc/65/78/52/687657852.db2.gz YXEYBXGQZNWKNJ-UHFFFAOYSA-N 1 3 301.434 2.040 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2CC23CC[NH+](CC2CCC2)CC3)C1 ZINC001016820590 687709981 /nfs/dbraw/zinc/70/99/81/687709981.db2.gz RWYOYIPXNABEKX-RDJZCZTQSA-N 1 3 319.493 2.099 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC2CCC2)C1)N(C)C ZINC001017211033 687824569 /nfs/dbraw/zinc/82/45/69/687824569.db2.gz GTWUJRKVJADOTR-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCC2)C1)N(C)C ZINC001017211033 687824572 /nfs/dbraw/zinc/82/45/72/687824572.db2.gz GTWUJRKVJADOTR-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001017633427 687928954 /nfs/dbraw/zinc/92/89/54/687928954.db2.gz YGZKRQGNLWDHMO-YESZJQIVSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001017633427 687928960 /nfs/dbraw/zinc/92/89/60/687928960.db2.gz YGZKRQGNLWDHMO-YESZJQIVSA-N 1 3 307.482 2.192 20 0 DEADHO CC[C@@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCC[C@H]1C ZINC001017941955 688006641 /nfs/dbraw/zinc/00/66/41/688006641.db2.gz JSWWNKJXRNDYLQ-VQHPVUNQSA-N 1 3 307.482 2.192 20 0 DEADHO CC[C@@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCC[C@H]1C ZINC001017941955 688006646 /nfs/dbraw/zinc/00/66/46/688006646.db2.gz JSWWNKJXRNDYLQ-VQHPVUNQSA-N 1 3 307.482 2.192 20 0 DEADHO CC1CCC(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001018972793 688264717 /nfs/dbraw/zinc/26/47/17/688264717.db2.gz PNEGKTAUICQLAO-JCYILVPMSA-N 1 3 321.509 2.488 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001019438450 688356256 /nfs/dbraw/zinc/35/62/56/688356256.db2.gz NJMSHYNQWCZWLZ-HNNXBMFYSA-N 1 3 304.438 2.113 20 0 DEADHO CC(C)C[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001019810911 688412791 /nfs/dbraw/zinc/41/27/91/688412791.db2.gz QRZIYADSVCKBEP-KRWDZBQOSA-N 1 3 303.450 2.208 20 0 DEADHO CCC[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001029000466 688548226 /nfs/dbraw/zinc/54/82/26/688548226.db2.gz DRROFTROEGWCRV-HNNXBMFYSA-N 1 3 303.450 2.210 20 0 DEADHO CCC[N@H+]1CC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001029000466 688548228 /nfs/dbraw/zinc/54/82/28/688548228.db2.gz DRROFTROEGWCRV-HNNXBMFYSA-N 1 3 303.450 2.210 20 0 DEADHO [NH3+][C@H]1CC[C@H](C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000870853890 688667501 /nfs/dbraw/zinc/66/75/01/688667501.db2.gz HHTQSMZHPFBINN-BZSNNMDCSA-N 1 3 315.461 2.457 20 0 DEADHO CN(C)CCN(Cc1ccccc1)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870861222 688670174 /nfs/dbraw/zinc/67/01/74/688670174.db2.gz KUSDWUPTXGBYAO-UHFFFAOYSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CC[NH2+]CC2CC2)C1 ZINC000870872722 688673660 /nfs/dbraw/zinc/67/36/60/688673660.db2.gz HJDVJKZZRYUIDB-YJBOKZPZSA-N 1 3 315.461 2.328 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)N(C)C)cc1 ZINC000870874869 688674915 /nfs/dbraw/zinc/67/49/15/688674915.db2.gz PSGJXLZPOUPBMI-BBWFWOEESA-N 1 3 303.450 2.231 20 0 DEADHO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000870989683 688705571 /nfs/dbraw/zinc/70/55/71/688705571.db2.gz MMFSBXMDQGMHIP-VQIMIIECSA-N 1 3 315.461 2.097 20 0 DEADHO c1ccc2c(c1)CN[C@H]2Cc1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871800764 688872864 /nfs/dbraw/zinc/87/28/64/688872864.db2.gz STFCQDUSCANQMA-HUORLRHWSA-N 1 3 310.401 2.455 20 0 DEADHO CC(C)(O)C[C@H](O)CNCc1ccccc1C[NH+]1CCCCC1 ZINC000872198436 688949366 /nfs/dbraw/zinc/94/93/66/688949366.db2.gz XVQGDEGTIDUWHG-SFHVURJKSA-N 1 3 320.477 2.284 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCC1C[NH+](CCC(C)(C)C)C1 ZINC001031715376 688984371 /nfs/dbraw/zinc/98/43/71/688984371.db2.gz SQDWDVQJHXKOBK-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1ccccc1[C@@H](C)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001032182560 689079382 /nfs/dbraw/zinc/07/93/82/689079382.db2.gz NMNHUNGDBGABTI-NVXWUHKLSA-N 1 3 315.461 2.056 20 0 DEADHO Cc1ccccc1[C@@H](C)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032182560 689079385 /nfs/dbraw/zinc/07/93/85/689079385.db2.gz NMNHUNGDBGABTI-NVXWUHKLSA-N 1 3 315.461 2.056 20 0 DEADHO CC(=O)NC1CCC([N@H+](C)Cc2cc3c(s2)CCNC3)CC1 ZINC000873210034 689184218 /nfs/dbraw/zinc/18/42/18/689184218.db2.gz XVOZVQMLKTXNQR-UHFFFAOYSA-N 1 3 321.490 2.273 20 0 DEADHO CC(=O)NC1CCC([N@@H+](C)Cc2cc3c(s2)CCNC3)CC1 ZINC000873210034 689184222 /nfs/dbraw/zinc/18/42/22/689184222.db2.gz XVOZVQMLKTXNQR-UHFFFAOYSA-N 1 3 321.490 2.273 20 0 DEADHO OCc1ccc(CNCc2cc3c(s2)CC[NH2+]C3)cc1F ZINC000873211562 689184588 /nfs/dbraw/zinc/18/45/88/689184588.db2.gz CJUGNDXKBJLECI-UHFFFAOYSA-N 1 3 306.406 2.315 20 0 DEADHO CCCC[C@@H](COC)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873218554 689186207 /nfs/dbraw/zinc/18/62/07/689186207.db2.gz JSJFVIIXOSZERZ-HNNXBMFYSA-N 1 3 317.437 2.021 20 0 DEADHO CCOC(=O)N1CCC([NH2+]CC[C@@H](N)Cc2ccccc2)CC1 ZINC000873235918 689190992 /nfs/dbraw/zinc/19/09/92/689190992.db2.gz UUWCZJFLKORBNK-MRXNPFEDSA-N 1 3 319.449 2.157 20 0 DEADHO COc1ccc2c(c1)OC[C@@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)C2 ZINC000873245093 689192408 /nfs/dbraw/zinc/19/24/08/689192408.db2.gz PHOSJKMHWSQHIX-CABCVRRESA-N 1 3 304.434 2.367 20 0 DEADHO C[C@H](NC[C@H]1C[C@H]([NH3+])C1)c1ncc(Br)cc1F ZINC000873255247 689195584 /nfs/dbraw/zinc/19/55/84/689195584.db2.gz FIXYKBUQXUCMEG-NRPADANISA-N 1 3 302.191 2.371 20 0 DEADHO C[NH+](C)Cc1cccc(C(=O)N2C[C@@H]3C[C@H]2CN3CC2CC2)c1 ZINC001032799546 689263498 /nfs/dbraw/zinc/26/34/98/689263498.db2.gz BHUVIGSIKZOCMX-ROUUACIJSA-N 1 3 313.445 2.057 20 0 DEADHO CC(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001375845873 1158890094 /nfs/dbraw/zinc/89/00/94/1158890094.db2.gz DYNXOEVMTKGAIG-WMZOPIPTSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[N@H+]1CC[C@](C)(NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001375845873 1158890097 /nfs/dbraw/zinc/89/00/97/1158890097.db2.gz DYNXOEVMTKGAIG-WMZOPIPTSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)=CCN1CC[C@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033295067 689452382 /nfs/dbraw/zinc/45/23/82/689452382.db2.gz HPWMQRHYQZJZCE-ZWKOTPCHSA-N 1 3 319.493 2.360 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)N2CCCC2)C1 ZINC001033320336 689460269 /nfs/dbraw/zinc/46/02/69/689460269.db2.gz UYJOYTZONSCFBI-HZPDHXFCSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)N2CCCC2)C1 ZINC001033320336 689460273 /nfs/dbraw/zinc/46/02/73/689460273.db2.gz UYJOYTZONSCFBI-HZPDHXFCSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]2[C@H]1CCCN2C)[NH+]1CCCCC1 ZINC000874846545 689516828 /nfs/dbraw/zinc/51/68/28/689516828.db2.gz YINSRONTHBXOCI-GVDBMIGSSA-N 1 3 307.482 2.192 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000876728564 689918377 /nfs/dbraw/zinc/91/83/77/689918377.db2.gz PKRCZPTZINVHOI-HDJSIYSDSA-N 1 3 305.422 2.213 20 0 DEADHO Cc1ccc([C@H](CNC(=O)/C=C\[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000876731168 689919414 /nfs/dbraw/zinc/91/94/14/689919414.db2.gz FWLFZVVJUXSTCC-QUZNCXEESA-N 1 3 315.461 2.270 20 0 DEADHO CC1CCC(N2CCN(C(=O)/C=C\[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000876763766 689929747 /nfs/dbraw/zinc/92/97/47/689929747.db2.gz JAMJPVAEGBXDLW-VVZHPWQGSA-N 1 3 319.493 2.265 20 0 DEADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000876765790 689929886 /nfs/dbraw/zinc/92/98/86/689929886.db2.gz XUDPNHRHGKGJGG-MMXMSBNJSA-N 1 3 315.461 2.035 20 0 DEADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000876887438 689964915 /nfs/dbraw/zinc/96/49/15/689964915.db2.gz XOOXWIIRZADPEH-AMFYOEQGSA-N 1 3 301.434 2.407 20 0 DEADHO Nc1c(Cl)cccc1C[NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000877091087 690015873 /nfs/dbraw/zinc/01/58/73/690015873.db2.gz ZPRWKCYAZQBNPE-JKSUJKDBSA-N 1 3 323.868 2.390 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](CC3CCC3)C2)CC1 ZINC001035166290 690045566 /nfs/dbraw/zinc/04/55/66/690045566.db2.gz LLQBLZWHCKFHMQ-KRWDZBQOSA-N 1 3 319.493 2.195 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](CC3CCC3)C2)CC1 ZINC001035166290 690045569 /nfs/dbraw/zinc/04/55/69/690045569.db2.gz LLQBLZWHCKFHMQ-KRWDZBQOSA-N 1 3 319.493 2.195 20 0 DEADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@H]1C)CC2 ZINC001035795753 690178631 /nfs/dbraw/zinc/17/86/31/690178631.db2.gz YOCXKZRUJYLEII-SJORKVTESA-N 1 3 319.493 2.075 20 0 DEADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@H]1C)CC2 ZINC001035795753 690178635 /nfs/dbraw/zinc/17/86/35/690178635.db2.gz YOCXKZRUJYLEII-SJORKVTESA-N 1 3 319.493 2.075 20 0 DEADHO CC[C@@H](C(=O)N1CCC2(C[NH+](CC3CCCC3)C2)CC1)N(C)C ZINC001035796211 690178923 /nfs/dbraw/zinc/17/89/23/690178923.db2.gz CCFSSJWFRHAAKW-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO COCCN(Cc1cncc(OC)c1C)CC1CC[NH+](C)CC1 ZINC000877664201 690182575 /nfs/dbraw/zinc/18/25/75/690182575.db2.gz JQQLQTMXPGHBOI-UHFFFAOYSA-N 1 3 321.465 2.189 20 0 DEADHO COCc1cccc(C[NH+]2CCC(N3CCN(C)CC3)CC2)c1 ZINC000877747709 690214733 /nfs/dbraw/zinc/21/47/33/690214733.db2.gz YXWMWMZWJJREBT-UHFFFAOYSA-N 1 3 317.477 2.045 20 0 DEADHO CC(=O)Oc1ccc(C[NH+]2C[C@]3(C)CN(C)C[C@@]3(C)C2)cc1 ZINC000931310614 694364080 /nfs/dbraw/zinc/36/40/80/694364080.db2.gz GEIZUTMJQRYNJU-ROUUACIJSA-N 1 3 302.418 2.386 20 0 DEADHO C[C@H]1[C@H](c2ccccc2)CCN1CC(=O)NC1CC[NH+](C)CC1 ZINC000878176018 690336623 /nfs/dbraw/zinc/33/66/23/690336623.db2.gz AYTCATJSDUIGCU-MAUKXSAKSA-N 1 3 315.461 2.075 20 0 DEADHO C[C@@H]([NH2+]CC1CCC1)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001036411376 690344362 /nfs/dbraw/zinc/34/43/62/690344362.db2.gz KDKBWSFYLMTLCW-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)co1 ZINC000878589572 690448366 /nfs/dbraw/zinc/44/83/66/690448366.db2.gz PPDNQGZVBUBYBK-OAHLLOKOSA-N 1 3 307.438 2.076 20 0 DEADHO O=C1O[C@@H](CN2CCCN(c3cc[nH+]cc3)CC2)CC12CCC2 ZINC000878748702 690490819 /nfs/dbraw/zinc/49/08/19/690490819.db2.gz XTQXJFSKLUQEHH-MRXNPFEDSA-N 1 3 315.417 2.080 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@@H]21 ZINC001036855011 690499867 /nfs/dbraw/zinc/49/98/67/690499867.db2.gz ULFFENYQUVZDEJ-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@@H]21 ZINC001036855011 690499869 /nfs/dbraw/zinc/49/98/69/690499869.db2.gz ULFFENYQUVZDEJ-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H](C(=O)NC1CCCC1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248408 690602647 /nfs/dbraw/zinc/60/26/47/690602647.db2.gz MZRNDQUDYDLYBJ-HNNXBMFYSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@H]1[NH2+]C(C)C ZINC001037951633 690647643 /nfs/dbraw/zinc/64/76/43/690647643.db2.gz TXVZBRZQAOCXFG-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CCc1ccccc1CN1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001038096009 690701767 /nfs/dbraw/zinc/70/17/67/690701767.db2.gz OYPNUDQWPKGLAH-ROUUACIJSA-N 1 3 315.461 2.034 20 0 DEADHO CCc1ccccc1CN1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001038096009 690701770 /nfs/dbraw/zinc/70/17/70/690701770.db2.gz OYPNUDQWPKGLAH-ROUUACIJSA-N 1 3 315.461 2.034 20 0 DEADHO CC(C)CN(Cc1cn(CC2CC2)nn1)CC1CC[NH+](C)CC1 ZINC000879703657 690711089 /nfs/dbraw/zinc/71/10/89/690711089.db2.gz RQQNMUQVYZXRRT-UHFFFAOYSA-N 1 3 319.497 2.488 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001038237601 690752076 /nfs/dbraw/zinc/75/20/76/690752076.db2.gz DLZMWVDLARSURI-SJORKVTESA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001038237601 690752077 /nfs/dbraw/zinc/75/20/77/690752077.db2.gz DLZMWVDLARSURI-SJORKVTESA-N 1 3 321.509 2.486 20 0 DEADHO Cn1cncc1CCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880022416 690783781 /nfs/dbraw/zinc/78/37/81/690783781.db2.gz QHFRTOIAHVDONC-QUCCMNQESA-N 1 3 324.472 2.417 20 0 DEADHO Cn1cncc1CCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880022416 690783782 /nfs/dbraw/zinc/78/37/82/690783782.db2.gz QHFRTOIAHVDONC-QUCCMNQESA-N 1 3 324.472 2.417 20 0 DEADHO Cn1cncc1CC[N@@H+]1C[C@@H]2CN(Cc3ccccc3)C[C@]2(C)C1 ZINC000880022416 690783788 /nfs/dbraw/zinc/78/37/88/690783788.db2.gz QHFRTOIAHVDONC-QUCCMNQESA-N 1 3 324.472 2.417 20 0 DEADHO Cn1cncc1CC[N@H+]1C[C@@H]2CN(Cc3ccccc3)C[C@]2(C)C1 ZINC000880022416 690783791 /nfs/dbraw/zinc/78/37/91/690783791.db2.gz QHFRTOIAHVDONC-QUCCMNQESA-N 1 3 324.472 2.417 20 0 DEADHO CC(C)(C)CCN1CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001038452612 690827198 /nfs/dbraw/zinc/82/71/98/690827198.db2.gz DTUZNLZBFVBSJD-HNNXBMFYSA-N 1 3 307.482 2.242 20 0 DEADHO CCc1ccc(C[NH+]2CCN(CCc3cncn3C)CC2)cc1 ZINC000880248562 690851481 /nfs/dbraw/zinc/85/14/81/690851481.db2.gz KYUZRAVTZBQWAM-UHFFFAOYSA-N 1 3 312.461 2.343 20 0 DEADHO O=C(NC[C@@H]1CCN1CCC1=CCCCC1)C12CC[NH+](CC1)C2 ZINC001038925443 690967687 /nfs/dbraw/zinc/96/76/87/690967687.db2.gz IMLWDIJXRPAKAW-KRWDZBQOSA-N 1 3 317.477 2.163 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCN2CCC2=CCCCC2)C1 ZINC001039025628 690997146 /nfs/dbraw/zinc/99/71/46/690997146.db2.gz AXKROWAKNJKIEO-IAGOWNOFSA-N 1 3 305.466 2.019 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCN2CCC2=CCCCC2)C1 ZINC001039025628 690997149 /nfs/dbraw/zinc/99/71/49/690997149.db2.gz AXKROWAKNJKIEO-IAGOWNOFSA-N 1 3 305.466 2.019 20 0 DEADHO CCCCN1CC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001039049758 691002961 /nfs/dbraw/zinc/00/29/61/691002961.db2.gz MYHSKMJMQUJXRS-INIZCTEOSA-N 1 3 303.450 2.352 20 0 DEADHO CC[C@H](C(=O)N1CCC([C@H]2CC[N@H+](CC3CC3)C2)CC1)N(C)C ZINC001039136088 691030488 /nfs/dbraw/zinc/03/04/88/691030488.db2.gz KBANQHGFHPMCEQ-ZWKOTPCHSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@H](C(=O)N1CCC([C@H]2CC[N@@H+](CC3CC3)C2)CC1)N(C)C ZINC001039136088 691030491 /nfs/dbraw/zinc/03/04/91/691030491.db2.gz KBANQHGFHPMCEQ-ZWKOTPCHSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001039165786 691037699 /nfs/dbraw/zinc/03/76/99/691037699.db2.gz SWYYHWIYMUZMOS-AEFFLSMTSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[N@H+]1CC[C@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001039165786 691037701 /nfs/dbraw/zinc/03/77/01/691037701.db2.gz SWYYHWIYMUZMOS-AEFFLSMTSA-N 1 3 321.509 2.297 20 0 DEADHO CCc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nc1 ZINC000881200211 691047066 /nfs/dbraw/zinc/04/70/66/691047066.db2.gz QYNWQVHEZQCNAZ-AWEZNQCLSA-N 1 3 321.469 2.038 20 0 DEADHO CCc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nc1 ZINC000881200211 691047069 /nfs/dbraw/zinc/04/70/69/691047069.db2.gz QYNWQVHEZQCNAZ-AWEZNQCLSA-N 1 3 321.469 2.038 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)N(C)C ZINC001039389613 691095594 /nfs/dbraw/zinc/09/55/94/691095594.db2.gz BTGUAKKPCGFLIT-IKGGRYGDSA-N 1 3 309.498 2.294 20 0 DEADHO CC(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)N(C)C ZINC001039389613 691095595 /nfs/dbraw/zinc/09/55/95/691095595.db2.gz BTGUAKKPCGFLIT-IKGGRYGDSA-N 1 3 309.498 2.294 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)C1 ZINC001040395340 691242715 /nfs/dbraw/zinc/24/27/15/691242715.db2.gz OHNXZPWGYVQQOP-VQIMIIECSA-N 1 3 319.493 2.053 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)C1 ZINC001040395340 691242718 /nfs/dbraw/zinc/24/27/18/691242718.db2.gz OHNXZPWGYVQQOP-VQIMIIECSA-N 1 3 319.493 2.053 20 0 DEADHO CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001040870625 691294187 /nfs/dbraw/zinc/29/41/87/691294187.db2.gz WECRDKHXSDIKPX-HNNXBMFYSA-N 1 3 318.465 2.313 20 0 DEADHO CC[C@H](C)C[N@@H+]1CC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041356474 691366908 /nfs/dbraw/zinc/36/69/08/691366908.db2.gz YEHITWLWKSOOCF-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C)C[N@H+]1CC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041356474 691366911 /nfs/dbraw/zinc/36/69/11/691366911.db2.gz YEHITWLWKSOOCF-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001041844675 691444590 /nfs/dbraw/zinc/44/45/90/691444590.db2.gz CPOZGKSZXAIWNK-SJLPKXTDSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001041844675 691444591 /nfs/dbraw/zinc/44/45/91/691444591.db2.gz CPOZGKSZXAIWNK-SJLPKXTDSA-N 1 3 307.482 2.195 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](NCCc2ccns2)[C@H](C)C1 ZINC000883248084 691465506 /nfs/dbraw/zinc/46/55/06/691465506.db2.gz GXYKPGQNRCSKJW-ZBFHGGJFSA-N 1 3 311.495 2.412 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](NCCc2ccns2)[C@H](C)C1 ZINC000883248084 691465508 /nfs/dbraw/zinc/46/55/08/691465508.db2.gz GXYKPGQNRCSKJW-ZBFHGGJFSA-N 1 3 311.495 2.412 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@H]21 ZINC001042187132 691532170 /nfs/dbraw/zinc/53/21/70/691532170.db2.gz LWJJUOMNBUUWPD-DLBZAZTESA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)C[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@H]21 ZINC001042187132 691532172 /nfs/dbraw/zinc/53/21/72/691532172.db2.gz LWJJUOMNBUUWPD-DLBZAZTESA-N 1 3 321.509 2.440 20 0 DEADHO CCCC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@H]21 ZINC001042311828 691565655 /nfs/dbraw/zinc/56/56/55/691565655.db2.gz ANRHATOJVMZZAF-LSDHHAIUSA-N 1 3 318.465 2.410 20 0 DEADHO CCCC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@H]21 ZINC001042311828 691565657 /nfs/dbraw/zinc/56/56/57/691565657.db2.gz ANRHATOJVMZZAF-LSDHHAIUSA-N 1 3 318.465 2.410 20 0 DEADHO CC1(C)C[NH2+]C[C@H]1C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000884189801 691678147 /nfs/dbraw/zinc/67/81/47/691678147.db2.gz NEQRWPQYHPSNKY-IRXDYDNUSA-N 1 3 315.461 2.185 20 0 DEADHO C[NH+](C)CCCOc1ccc(NC(=O)[C@H](N)CC2CC2)cc1 ZINC000884217641 691684883 /nfs/dbraw/zinc/68/48/83/691684883.db2.gz SNWCTEDWVDUWFO-MRXNPFEDSA-N 1 3 305.422 2.083 20 0 DEADHO C[NH2+][C@@H](CC(C)C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000884222108 691686079 /nfs/dbraw/zinc/68/60/79/691686079.db2.gz ISGTZAIDWJOEEJ-ROUUACIJSA-N 1 3 317.477 2.401 20 0 DEADHO CC(C)[C@H]([NH3+])C(C)(C)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000884408215 691731696 /nfs/dbraw/zinc/73/16/96/691731696.db2.gz AGFSVKYGSJATQQ-CVEARBPZSA-N 1 3 319.449 2.296 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC2CCCC2)CCN1C(=O)CN1CCCC1 ZINC001044857598 691898330 /nfs/dbraw/zinc/89/83/30/691898330.db2.gz LPEKLUSVIXXYAS-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC1(C)CC[NH+](CCCF)CC1 ZINC001045437982 691980885 /nfs/dbraw/zinc/98/08/85/691980885.db2.gz IADBIZCKQIAUIX-HNNXBMFYSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H]1CN(CCOC2CCCCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000886098843 692003380 /nfs/dbraw/zinc/00/33/80/692003380.db2.gz RQWBVOFVARVQKR-IEBWSBKVSA-N 1 3 323.525 2.294 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001045775985 692026771 /nfs/dbraw/zinc/02/67/71/692026771.db2.gz CGBHWFNMESWRFH-FGTMMUONSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001045775985 692026774 /nfs/dbraw/zinc/02/67/74/692026774.db2.gz CGBHWFNMESWRFH-FGTMMUONSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045942875 692059002 /nfs/dbraw/zinc/05/90/02/692059002.db2.gz BWVDUAXWGXJVSM-HKUYNNGSSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045942875 692059005 /nfs/dbraw/zinc/05/90/05/692059005.db2.gz BWVDUAXWGXJVSM-HKUYNNGSSA-N 1 3 321.509 2.440 20 0 DEADHO CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001045967060 692064577 /nfs/dbraw/zinc/06/45/77/692064577.db2.gz MDLKPPZZZDGQPC-FUHWJXTLSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001045967060 692064578 /nfs/dbraw/zinc/06/45/78/692064578.db2.gz MDLKPPZZZDGQPC-FUHWJXTLSA-N 1 3 309.498 2.441 20 0 DEADHO COc1ccc(C[NH+]2CCC(c3nc(C)c(C)[nH]3)CC2)nn1 ZINC000886661651 692151114 /nfs/dbraw/zinc/15/11/14/692151114.db2.gz ZPIXTYHOMVTFOS-UHFFFAOYSA-N 1 3 301.394 2.205 20 0 DEADHO Cc1nc(C2CC[NH+]([C@H](C(N)=O)c3ccccc3)CC2)[nH]c1C ZINC000886664332 692152536 /nfs/dbraw/zinc/15/25/36/692152536.db2.gz JDSPXFSLIVVDOO-INIZCTEOSA-N 1 3 312.417 2.433 20 0 DEADHO CN1CCCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CCC(F)(F)F)C1 ZINC001046558092 692222972 /nfs/dbraw/zinc/22/29/72/692222972.db2.gz RQMWYVIHWZIQNT-JSGCOSHPSA-N 1 3 321.387 2.004 20 0 DEADHO CN1CCCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCC(F)(F)F)C1 ZINC001046558092 692222974 /nfs/dbraw/zinc/22/29/74/692222974.db2.gz RQMWYVIHWZIQNT-JSGCOSHPSA-N 1 3 321.387 2.004 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@]2(C)CC[N@H+](CCCF)C2)c1 ZINC001046851216 692316837 /nfs/dbraw/zinc/31/68/37/692316837.db2.gz DOEROINUAPSQND-SFHVURJKSA-N 1 3 321.440 2.302 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@]2(C)CC[N@@H+](CCCF)C2)c1 ZINC001046851216 692316840 /nfs/dbraw/zinc/31/68/40/692316840.db2.gz DOEROINUAPSQND-SFHVURJKSA-N 1 3 321.440 2.302 20 0 DEADHO CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC1 ZINC001047244869 692401732 /nfs/dbraw/zinc/40/17/32/692401732.db2.gz VUDKPANPRCOPTB-QZTJIDSGSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@H]([NH2+]CC1CCCC1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048058995 692540380 /nfs/dbraw/zinc/54/03/80/692540380.db2.gz MWALAJVJPSNQDS-RDJZCZTQSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C[NH2+]CC1CCCC1 ZINC001048278243 692589991 /nfs/dbraw/zinc/58/99/91/692589991.db2.gz WRPCFSVDBANLLT-RDJZCZTQSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001049534930 692914818 /nfs/dbraw/zinc/91/48/18/692914818.db2.gz XOOXXVBQGSQZNB-ULQDDVLXSA-N 1 3 309.498 2.294 20 0 DEADHO CC(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001049534930 692914822 /nfs/dbraw/zinc/91/48/22/692914822.db2.gz XOOXXVBQGSQZNB-ULQDDVLXSA-N 1 3 309.498 2.294 20 0 DEADHO Cc1cc(C(F)(F)F)nn1CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000903164122 693026946 /nfs/dbraw/zinc/02/69/46/693026946.db2.gz LPQWJBJRNKVVAA-QWHCGFSZSA-N 1 3 316.371 2.427 20 0 DEADHO Cc1cc(C(F)(F)F)nn1CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000903164122 693026950 /nfs/dbraw/zinc/02/69/50/693026950.db2.gz LPQWJBJRNKVVAA-QWHCGFSZSA-N 1 3 316.371 2.427 20 0 DEADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(Cn2cccn2)cc1 ZINC000924605487 693157957 /nfs/dbraw/zinc/15/79/57/693157957.db2.gz VTXFNLYZTMNQCD-DFNIBXOVSA-N 1 3 310.445 2.361 20 0 DEADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(Cn2cccn2)cc1 ZINC000924605487 693157960 /nfs/dbraw/zinc/15/79/60/693157960.db2.gz VTXFNLYZTMNQCD-DFNIBXOVSA-N 1 3 310.445 2.361 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001050546953 693205279 /nfs/dbraw/zinc/20/52/79/693205279.db2.gz VIPFEWSZLMEWNB-MRXNPFEDSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC2(C1)CC[NH+](CCC1CC1)CC2)N(C)C ZINC001050553590 693205646 /nfs/dbraw/zinc/20/56/46/693205646.db2.gz HADBBXFTKGAKAB-KRWDZBQOSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)=CC[NH+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001050661725 693227054 /nfs/dbraw/zinc/22/70/54/693227054.db2.gz BETQSZCYRQXHOX-QGZVFWFLSA-N 1 3 319.493 2.361 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001050680163 693230517 /nfs/dbraw/zinc/23/05/17/693230517.db2.gz AHXXJXXWJHHVMT-UHFFFAOYSA-N 1 3 324.428 2.077 20 0 DEADHO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000925316883 693255485 /nfs/dbraw/zinc/25/54/85/693255485.db2.gz IZRLLDRSJSSKRT-HZPDHXFCSA-N 1 3 312.502 2.088 20 0 DEADHO COc1ccc([C@H](CO)CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925684449 693324041 /nfs/dbraw/zinc/32/40/41/693324041.db2.gz BEYBZPUZADQFIK-ARFHVFGLSA-N 1 3 306.450 2.267 20 0 DEADHO CCOC(=O)C1=CC[C@H](N[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925717187 693329378 /nfs/dbraw/zinc/32/93/78/693329378.db2.gz AJCVZZJUSGPCFB-YESZJQIVSA-N 1 3 306.450 2.396 20 0 DEADHO CC(C)(C[NH2+][C@H]1CCNC[C@H]1C1CCCC1)C(=O)N1CCCC1 ZINC000925720174 693329515 /nfs/dbraw/zinc/32/95/15/693329515.db2.gz XLERERHUQMZLSA-IRXDYDNUSA-N 1 3 321.509 2.393 20 0 DEADHO C[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(-n2cncn2)cc1 ZINC000925779438 693340664 /nfs/dbraw/zinc/34/06/64/693340664.db2.gz NLRQQJUGNBWRGC-TZMCWYRMSA-N 1 3 321.375 2.163 20 0 DEADHO Cc1cc(C(F)(F)F)nn1CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000925805298 693344289 /nfs/dbraw/zinc/34/42/89/693344289.db2.gz SAMGGMCNPBNTRL-VXGBXAGGSA-N 1 3 304.360 2.460 20 0 DEADHO CC1(C)C[C@@H](N)C[C@@H]([NH2+]CCc2ccccc2S(C)(=O)=O)C1 ZINC000925828883 693348917 /nfs/dbraw/zinc/34/89/17/693348917.db2.gz JJKITOREYJYNHN-LSDHHAIUSA-N 1 3 324.490 2.128 20 0 DEADHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCCc2ccccc2S(C)(=O)=O)C1 ZINC000925828883 693348923 /nfs/dbraw/zinc/34/89/23/693348923.db2.gz JJKITOREYJYNHN-LSDHHAIUSA-N 1 3 324.490 2.128 20 0 DEADHO COc1ccsc1[C@@H](C)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925858068 693355648 /nfs/dbraw/zinc/35/56/48/693355648.db2.gz RYKAOEJSTGUZFH-NEPJUHHUSA-N 1 3 324.446 2.093 20 0 DEADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCCN(C/C=C/Cl)CC2)C1 ZINC001052870509 693637863 /nfs/dbraw/zinc/63/78/63/693637863.db2.gz VAIJCEFNGJNGFN-SBRLYDIBSA-N 1 3 313.873 2.051 20 0 DEADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCCN(C/C=C/Cl)CC2)C1 ZINC001052870509 693637865 /nfs/dbraw/zinc/63/78/65/693637865.db2.gz VAIJCEFNGJNGFN-SBRLYDIBSA-N 1 3 313.873 2.051 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]C[C@H](O)c2cccc(F)c2)C[C@@H](C)O1 ZINC001335349932 1150398821 /nfs/dbraw/zinc/39/88/21/1150398821.db2.gz AILHVXDYYXLJCI-RKVPGOIHSA-N 1 3 324.440 2.338 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001402637301 1162421737 /nfs/dbraw/zinc/42/17/37/1162421737.db2.gz SQNQOACTDDYHCY-RRQGHBQHSA-N 1 3 321.440 2.465 20 0 DEADHO Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)C2(N(C)C)CCC2)cs1 ZINC001379148397 1152581885 /nfs/dbraw/zinc/58/18/85/1152581885.db2.gz OSMYLAQCXDJYHK-ZDUSSCGKSA-N 1 3 323.506 2.477 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001379770193 1152692997 /nfs/dbraw/zinc/69/29/97/1152692997.db2.gz OVPLVHKGISKURM-CRAIPNDOSA-N 1 3 317.477 2.452 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001379770193 1152693001 /nfs/dbraw/zinc/69/30/01/1152693001.db2.gz OVPLVHKGISKURM-CRAIPNDOSA-N 1 3 317.477 2.452 20 0 DEADHO CC(C)C[N@H+](C)C[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001379788669 1152696351 /nfs/dbraw/zinc/69/63/51/1152696351.db2.gz IFBRYXSZLBTUAF-HNNXBMFYSA-N 1 3 305.466 2.454 20 0 DEADHO CC(C)C[N@@H+](C)C[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001379788669 1152696354 /nfs/dbraw/zinc/69/63/54/1152696354.db2.gz IFBRYXSZLBTUAF-HNNXBMFYSA-N 1 3 305.466 2.454 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CC2CCCC2)CC1 ZINC001380172975 1152762015 /nfs/dbraw/zinc/76/20/15/1152762015.db2.gz SBSGEMHTURIBCH-GASCZTMLSA-N 1 3 307.482 2.288 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1C ZINC001380287306 1152781980 /nfs/dbraw/zinc/78/19/80/1152781980.db2.gz RPERZFFLDWSPFL-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO CC[C@@H](C(=O)NCc1ccccc1C[N@H+](C)CC1CC1)N(C)C ZINC001380781837 1152856107 /nfs/dbraw/zinc/85/61/07/1152856107.db2.gz UWRCFDQFTQIFIA-SFHVURJKSA-N 1 3 317.477 2.485 20 0 DEADHO CC[C@@H](C(=O)NCc1ccccc1C[N@@H+](C)CC1CC1)N(C)C ZINC001380781837 1152856110 /nfs/dbraw/zinc/85/61/10/1152856110.db2.gz UWRCFDQFTQIFIA-SFHVURJKSA-N 1 3 317.477 2.485 20 0 DEADHO CCC[NH2+]C1(CC)CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001381020779 1152893628 /nfs/dbraw/zinc/89/36/28/1152893628.db2.gz CAAQBZRDXNVCGB-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CCCC[N@H+](CC)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001381256257 1152970597 /nfs/dbraw/zinc/97/05/97/1152970597.db2.gz NMQIVCUCFWUVMH-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CCCC[N@@H+](CC)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001381256257 1152970605 /nfs/dbraw/zinc/97/06/05/1152970605.db2.gz NMQIVCUCFWUVMH-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H](C)N(C)Cc1cccc(F)c1)[NH+](C)C ZINC001381535678 1153113768 /nfs/dbraw/zinc/11/37/68/1153113768.db2.gz VWNDGOHBLHHCCZ-YOEHRIQHSA-N 1 3 323.456 2.348 20 0 DEADHO CN(C(=O)C(C)(C)N1CCCCC1)[C@@H](C[NH2+]CC1CC1)C1CC1 ZINC001382019837 1153320637 /nfs/dbraw/zinc/32/06/37/1153320637.db2.gz ZYRLDCQBAGWHQI-KRWDZBQOSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CCc1ccccc1)N(C)C ZINC001382164214 1153384632 /nfs/dbraw/zinc/38/46/32/1153384632.db2.gz YJNMSNZMWYDPFJ-WMZOPIPTSA-N 1 3 319.493 2.252 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CN(C)CCF)C1 ZINC001389719683 1155402936 /nfs/dbraw/zinc/40/29/36/1155402936.db2.gz HVJMPAXEPNOQRL-JKSUJKDBSA-N 1 3 313.461 2.001 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CN(C)CCF)C1 ZINC001389719683 1155402939 /nfs/dbraw/zinc/40/29/39/1155402939.db2.gz HVJMPAXEPNOQRL-JKSUJKDBSA-N 1 3 313.461 2.001 20 0 DEADHO C[NH+](C)CCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C\Cl ZINC001389933242 1155474957 /nfs/dbraw/zinc/47/49/57/1155474957.db2.gz SWMMEWZWHRMMTI-WQGCMXFCSA-N 1 3 313.873 2.192 20 0 DEADHO CC1CC(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN(C)CC(C)(C)C)C1 ZINC001371026669 1155664873 /nfs/dbraw/zinc/66/48/73/1155664873.db2.gz FTMXOZUYIOPTFB-WQOIPGCDSA-N 1 3 321.509 2.057 20 0 DEADHO CC1CC(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN(C)CC(C)(C)C)C1 ZINC001371026669 1155664874 /nfs/dbraw/zinc/66/48/74/1155664874.db2.gz FTMXOZUYIOPTFB-WQOIPGCDSA-N 1 3 321.509 2.057 20 0 DEADHO CCCN(C)CC(=O)NC1CCC([NH2+]CC[C@H](C)F)CC1 ZINC001371074623 1155683752 /nfs/dbraw/zinc/68/37/52/1155683752.db2.gz VNXXYYAMBDPDPS-NFOMZHRRSA-N 1 3 301.450 2.093 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001390531618 1155795498 /nfs/dbraw/zinc/79/54/98/1155795498.db2.gz FDCHBTXRYBGNBZ-KBPBESRZSA-N 1 3 319.440 2.246 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001390542970 1155800943 /nfs/dbraw/zinc/80/09/43/1155800943.db2.gz UONNVNURAHTPMF-UONOGXRCSA-N 1 3 309.429 2.321 20 0 DEADHO C[C@H](CNC(=O)CCC[NH+]1CCCC1)NCc1ccsc1 ZINC001371463929 1155856705 /nfs/dbraw/zinc/85/67/05/1155856705.db2.gz HHRIVMADKJZARA-CQSZACIVSA-N 1 3 309.479 2.218 20 0 DEADHO CC[N@H+](CCNC(=O)CN(C)C1CCC1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001390911451 1155951593 /nfs/dbraw/zinc/95/15/93/1155951593.db2.gz UKIQBSMGBUOZDP-IXDOHACOSA-N 1 3 321.509 2.345 20 0 DEADHO CC[N@@H+](CCNC(=O)CN(C)C1CCC1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001390911451 1155951597 /nfs/dbraw/zinc/95/15/97/1155951597.db2.gz UKIQBSMGBUOZDP-IXDOHACOSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]Cc1cccc(F)c1 ZINC001391930023 1156835886 /nfs/dbraw/zinc/83/58/86/1156835886.db2.gz GVQQCQYOEOJKNE-HUUCEWRRSA-N 1 3 321.440 2.009 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]CC[C@H](C)F)CCCC1)N(C)C ZINC001392025057 1156848226 /nfs/dbraw/zinc/84/82/26/1156848226.db2.gz VDILDJNSKGLDPF-UONOGXRCSA-N 1 3 301.450 2.093 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]CC=C(Cl)Cl)C(C)C)N(C)C ZINC001392233182 1156899955 /nfs/dbraw/zinc/89/99/55/1156899955.db2.gz KHNJSVGLFJKPSC-NEPJUHHUSA-N 1 3 324.296 2.376 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccccc1)C(C)C)N(C)C ZINC001392246891 1156913939 /nfs/dbraw/zinc/91/39/39/1156913939.db2.gz MUAASLDDBWZFSB-IRXDYDNUSA-N 1 3 305.466 2.257 20 0 DEADHO CC[C@@H](CNC(=O)Cc1nc[nH]c1C)[NH2+]CCC1CCCC1 ZINC001373823405 1157389513 /nfs/dbraw/zinc/38/95/13/1157389513.db2.gz WRZAYVZAPGIXQL-HNNXBMFYSA-N 1 3 306.454 2.325 20 0 DEADHO CC[C@H](C(=O)N[C@](C)(C[NH2+]CC1CCCC1)C1CC1)N(C)C ZINC001373885417 1157433652 /nfs/dbraw/zinc/43/36/52/1157433652.db2.gz ZEVSQMHBXSWAHL-SJLPKXTDSA-N 1 3 309.498 2.391 20 0 DEADHO CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C(C)(C)C1 ZINC001403363155 1162863224 /nfs/dbraw/zinc/86/32/24/1162863224.db2.gz RJXXMTJZRADRAB-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C(C)(C)C1 ZINC001403363155 1162863226 /nfs/dbraw/zinc/86/32/26/1162863226.db2.gz RJXXMTJZRADRAB-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001403412829 1162875610 /nfs/dbraw/zinc/87/56/10/1162875610.db2.gz NGXSTMVROQDIMK-PBHICJAKSA-N 1 3 323.456 2.396 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1cc(C)cc(C)c1)N(C)C ZINC001374102121 1157625119 /nfs/dbraw/zinc/62/51/19/1157625119.db2.gz YIFLPGFQDQIXCA-AEFFLSMTSA-N 1 3 319.493 2.486 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001393051430 1157633439 /nfs/dbraw/zinc/63/34/39/1157633439.db2.gz FRLBESQTOZRWLZ-WBVHZDCISA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CC[NH+](C[C@H](F)CC)CC2 ZINC001393500735 1157844323 /nfs/dbraw/zinc/84/43/23/1157844323.db2.gz JALWVLCNOGJIMH-OAHLLOKOSA-N 1 3 313.461 2.001 20 0 DEADHO COc1cccc([C@H](C)N(C)CCN(C)C(=O)CC[NH+](C)C)c1 ZINC001374529290 1157889398 /nfs/dbraw/zinc/88/93/98/1157889398.db2.gz DBSVVMWOYYQKJP-HNNXBMFYSA-N 1 3 321.465 2.098 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[N@H+](C)CC1CC2(CCC2)C1 ZINC001374558139 1157899219 /nfs/dbraw/zinc/89/92/19/1157899219.db2.gz UMKBKPWQAYTUKT-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[N@@H+](C)CC1CC2(CCC2)C1 ZINC001374558139 1157899223 /nfs/dbraw/zinc/89/92/23/1157899223.db2.gz UMKBKPWQAYTUKT-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CCN(CCN[C@@H](C)c1ccccc1F)C(=O)CC[NH+](C)C ZINC001374754569 1158006932 /nfs/dbraw/zinc/00/69/32/1158006932.db2.gz OSPCKWKFNOJPJN-AWEZNQCLSA-N 1 3 309.429 2.277 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[N@H+](C)CCc1ccccc1 ZINC001394139559 1158332033 /nfs/dbraw/zinc/33/20/33/1158332033.db2.gz OQIRKQLOMSPTKT-INIZCTEOSA-N 1 3 305.466 2.006 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[N@@H+](C)CCc1ccccc1 ZINC001394139559 1158332043 /nfs/dbraw/zinc/33/20/43/1158332043.db2.gz OQIRKQLOMSPTKT-INIZCTEOSA-N 1 3 305.466 2.006 20 0 DEADHO CC(C)[C@H](CCN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]CC1CC1 ZINC001394195518 1158360759 /nfs/dbraw/zinc/36/07/59/1158360759.db2.gz ZAQCBYZRMGPNIE-RDJZCZTQSA-N 1 3 309.498 2.201 20 0 DEADHO Cc1ccc(C)c(CN2CC([C@H](C)NC(=O)CC[NH+](C)C)C2)c1 ZINC001394245593 1158393050 /nfs/dbraw/zinc/39/30/50/1158393050.db2.gz DVQIWXQYGLFZPK-INIZCTEOSA-N 1 3 317.477 2.192 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001375573034 1158817122 /nfs/dbraw/zinc/81/71/22/1158817122.db2.gz LPQSPNFKFQEIKV-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001375573034 1158817124 /nfs/dbraw/zinc/81/71/24/1158817124.db2.gz LPQSPNFKFQEIKV-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC2(C[C@@H]2NC(=O)C2(N(C)C)CCC2)CC1 ZINC001376175332 1159191476 /nfs/dbraw/zinc/19/14/76/1159191476.db2.gz UUUWNTKKNGHRHH-CVEARBPZSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)N(C)C ZINC001376405708 1159391095 /nfs/dbraw/zinc/39/10/95/1159391095.db2.gz ZTVWLMVWQXLGDL-BRWVUGGUSA-N 1 3 309.498 2.390 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[N@H+](C)[C@H](C)c1ccccc1)N(C)C ZINC001403595377 1163032985 /nfs/dbraw/zinc/03/29/85/1163032985.db2.gz ROTHDAGXZSZIOU-WBVHZDCISA-N 1 3 305.466 2.382 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[N@@H+](C)[C@H](C)c1ccccc1)N(C)C ZINC001403595377 1163032991 /nfs/dbraw/zinc/03/29/91/1163032991.db2.gz ROTHDAGXZSZIOU-WBVHZDCISA-N 1 3 305.466 2.382 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001376491228 1159475466 /nfs/dbraw/zinc/47/54/66/1159475466.db2.gz QKXQRXHFOPGWEB-IXDOHACOSA-N 1 3 321.509 2.390 20 0 DEADHO Cc1ccccc1C[NH2+][C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001376755596 1159769972 /nfs/dbraw/zinc/76/99/72/1159769972.db2.gz YIWIDCUISNNJHS-OAHLLOKOSA-N 1 3 303.450 2.074 20 0 DEADHO C[C@H](CNC(=O)c1ccccc1CC[NH+](C)C)NC/C=C/Cl ZINC001376785318 1159797364 /nfs/dbraw/zinc/79/73/64/1159797364.db2.gz LXKIPLJTVRIDOD-OAUONFCTSA-N 1 3 323.868 2.251 20 0 DEADHO C[C@@H](CNC(=O)c1ccccc1CC[NH+](C)C)NC/C=C\Cl ZINC001376785315 1159797560 /nfs/dbraw/zinc/79/75/60/1159797560.db2.gz LXKIPLJTVRIDOD-APFBBLRHSA-N 1 3 323.868 2.251 20 0 DEADHO Cc1cc(C[NH2+][C@H](C)CNC(=O)CN2CC[C@H](C)C2)c(C)s1 ZINC001376804224 1159806447 /nfs/dbraw/zinc/80/64/47/1159806447.db2.gz UOMRBSDYZYKFBR-QWHCGFSZSA-N 1 3 323.506 2.301 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@H](C)c1cccc(C)c1 ZINC001376846047 1159821173 /nfs/dbraw/zinc/82/11/73/1159821173.db2.gz HAQHHMWCTYPEMR-JKSUJKDBSA-N 1 3 305.466 2.492 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCCC2)[C@@H]1C)N(C)C ZINC001397274554 1160102403 /nfs/dbraw/zinc/10/24/03/1160102403.db2.gz MVAYBCTUCGWOPB-HYVNUMGLSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)[C@@H]1C)N(C)C ZINC001397274554 1160102407 /nfs/dbraw/zinc/10/24/07/1160102407.db2.gz MVAYBCTUCGWOPB-HYVNUMGLSA-N 1 3 309.498 2.342 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](C)[C@@H]1CCc2c1cccc2F)N(C)C ZINC001377306556 1160179321 /nfs/dbraw/zinc/17/93/21/1160179321.db2.gz VPNMEBWDJJSMDT-IAGOWNOFSA-N 1 3 321.440 2.201 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](C)[C@@H]1CCc2c1cccc2F)N(C)C ZINC001377306556 1160179353 /nfs/dbraw/zinc/17/93/53/1160179353.db2.gz VPNMEBWDJJSMDT-IAGOWNOFSA-N 1 3 321.440 2.201 20 0 DEADHO CC[N@H+](CCNC(=O)CN(C)C1CCC1)CC1CCCCC1 ZINC001377308834 1160185270 /nfs/dbraw/zinc/18/52/70/1160185270.db2.gz FAGMHOOINACFGT-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C[C@@H]1CCN1CC1CC1)[NH+]1CCCCC1 ZINC001397579602 1160344547 /nfs/dbraw/zinc/34/45/47/1160344547.db2.gz NSGSBBSFMXIVHR-ZWKOTPCHSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCc2cccs2)C1)N(C)C ZINC001397593346 1160352859 /nfs/dbraw/zinc/35/28/59/1160352859.db2.gz MTZQQUYNJITKNU-IJEWVQPXSA-N 1 3 323.506 2.115 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC001397600640 1160356422 /nfs/dbraw/zinc/35/64/22/1160356422.db2.gz BNQPPJNHHDQZSO-MAEOIBBWSA-N 1 3 317.477 2.321 20 0 DEADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)[C@H]1C ZINC001397792971 1160511109 /nfs/dbraw/zinc/51/11/09/1160511109.db2.gz SKGQELNYHPKSSM-IKGGRYGDSA-N 1 3 309.498 2.486 20 0 DEADHO CCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)[C@H]1C ZINC001397792971 1160511136 /nfs/dbraw/zinc/51/11/36/1160511136.db2.gz SKGQELNYHPKSSM-IKGGRYGDSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001398202489 1160817241 /nfs/dbraw/zinc/81/72/41/1160817241.db2.gz INHRYMMRDAALRH-GDBMZVCRSA-N 1 3 306.454 2.358 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001398231568 1160828595 /nfs/dbraw/zinc/82/85/95/1160828595.db2.gz LJZITRPYHQHCKM-QGZVFWFLSA-N 1 3 303.450 2.109 20 0 DEADHO Cc1ccc(CN2CCC[C@H](NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001398236703 1160831054 /nfs/dbraw/zinc/83/10/54/1160831054.db2.gz QNCPGZDIAFNOGI-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CCCN(C)CC(=O)NCC[N@H+](C)CC1CCC2(CC2)CC1 ZINC001403768146 1163157912 /nfs/dbraw/zinc/15/79/12/1163157912.db2.gz XZZNPFDHGLFYJB-UHFFFAOYSA-N 1 3 309.498 2.347 20 0 DEADHO CCCN(C)CC(=O)NCC[N@@H+](C)CC1CCC2(CC2)CC1 ZINC001403768146 1163157918 /nfs/dbraw/zinc/15/79/18/1163157918.db2.gz XZZNPFDHGLFYJB-UHFFFAOYSA-N 1 3 309.498 2.347 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H](C[N@H+](C)C/C=C/Cl)C1 ZINC001398460375 1160897869 /nfs/dbraw/zinc/89/78/69/1160897869.db2.gz PYKJOVFRSAETFR-VZLFFANISA-N 1 3 313.873 2.004 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H](C[N@@H+](C)C/C=C/Cl)C1 ZINC001398460375 1160897872 /nfs/dbraw/zinc/89/78/72/1160897872.db2.gz PYKJOVFRSAETFR-VZLFFANISA-N 1 3 313.873 2.004 20 0 DEADHO CC(C)N(C)CC(=O)NCC1C[NH+](CCC2CCCCC2)C1 ZINC001378020117 1160927938 /nfs/dbraw/zinc/92/79/38/1160927938.db2.gz JHMYVCIYWGAFTQ-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001398587236 1161003713 /nfs/dbraw/zinc/00/37/13/1161003713.db2.gz YNYZRZPAIJKPKP-WKILWMFISA-N 1 3 307.482 2.144 20 0 DEADHO CC[N@H+](CCNC(=O)[C@@H]1CCCN1C)[C@@H](C)c1cccc(F)c1 ZINC001399697596 1161529575 /nfs/dbraw/zinc/52/95/75/1161529575.db2.gz ZHFUWCOOMFBCOH-YOEHRIQHSA-N 1 3 321.440 2.419 20 0 DEADHO CC[N@@H+](CCNC(=O)[C@@H]1CCCN1C)[C@@H](C)c1cccc(F)c1 ZINC001399697596 1161529578 /nfs/dbraw/zinc/52/95/78/1161529578.db2.gz ZHFUWCOOMFBCOH-YOEHRIQHSA-N 1 3 321.440 2.419 20 0 DEADHO CC[N@@H+]1CC[C@@H](CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001400202968 1161685449 /nfs/dbraw/zinc/68/54/49/1161685449.db2.gz UAUPGFYGGPUCLR-OAHLLOKOSA-N 1 3 303.450 2.210 20 0 DEADHO CC[N@H+]1CC[C@@H](CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001400202968 1161685453 /nfs/dbraw/zinc/68/54/53/1161685453.db2.gz UAUPGFYGGPUCLR-OAHLLOKOSA-N 1 3 303.450 2.210 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1C[NH+](CCCC(C)(C)C)C1)N(C)C ZINC001400546111 1161767431 /nfs/dbraw/zinc/76/74/31/1161767431.db2.gz OZXYOXJMHIIJHG-INIZCTEOSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CCC2)C1)N1CCCC1 ZINC001400683259 1161800112 /nfs/dbraw/zinc/80/01/12/1161800112.db2.gz APWBXXYIDNWRAY-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCC2)C1)N1CCCC1 ZINC001400683259 1161800116 /nfs/dbraw/zinc/80/01/16/1161800116.db2.gz APWBXXYIDNWRAY-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@@H](C(=O)NCCC1CC[NH+](CC2CCC2)CC1)N(C)C ZINC001401077314 1161868010 /nfs/dbraw/zinc/86/80/10/1161868010.db2.gz ZSBYWMOTPHMFKY-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]([NH2+]CC1CC(F)(F)C1)C(C)C)N(C)C ZINC001401344216 1161939840 /nfs/dbraw/zinc/93/98/40/1161939840.db2.gz OXNOPIPNCTXPNQ-KBPBESRZSA-N 1 3 319.440 2.102 20 0 DEADHO CN(CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC001401368286 1161956139 /nfs/dbraw/zinc/95/61/39/1161956139.db2.gz VEXDTGAUOVGDAV-GOSISDBHSA-N 1 3 317.477 2.451 20 0 DEADHO CN(CCN(C)C(=O)CC[C@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC001401368286 1161956143 /nfs/dbraw/zinc/95/61/43/1161956143.db2.gz VEXDTGAUOVGDAV-GOSISDBHSA-N 1 3 317.477 2.451 20 0 DEADHO CCc1ccccc1C[NH2+]C[C@@H](C)NC(=O)[C@H](CC)N(C)C ZINC001401647913 1162059015 /nfs/dbraw/zinc/05/90/15/1162059015.db2.gz OKFFHVMNQNOIEU-PBHICJAKSA-N 1 3 305.466 2.184 20 0 DEADHO Cc1cc(F)ccc1CN(C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401815215 1162143299 /nfs/dbraw/zinc/14/32/99/1162143299.db2.gz ZQGHULMTZGQTRH-GOEBONIOSA-N 1 3 321.440 2.022 20 0 DEADHO Cc1cc(F)ccc1CN(C)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401815215 1162143301 /nfs/dbraw/zinc/14/33/01/1162143301.db2.gz ZQGHULMTZGQTRH-GOEBONIOSA-N 1 3 321.440 2.022 20 0 DEADHO C[C@@H]([NH2+]CCC1CC1)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001402047844 1162228261 /nfs/dbraw/zinc/22/82/61/1162228261.db2.gz PZXNVIYJTBOUPO-CJNGLKHVSA-N 1 3 304.438 2.112 20 0 DEADHO CC(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]21 ZINC001403785154 1163181425 /nfs/dbraw/zinc/18/14/25/1163181425.db2.gz NTPNCLDUEMNLFM-IXDOHACOSA-N 1 3 309.498 2.199 20 0 DEADHO CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)Cc1ccccc1C ZINC001403915742 1163290103 /nfs/dbraw/zinc/29/01/03/1163290103.db2.gz RYLSCRKZLLKAHR-MRXNPFEDSA-N 1 3 317.477 2.275 20 0 DEADHO CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)Cc1ccccc1C ZINC001403915742 1163290110 /nfs/dbraw/zinc/29/01/10/1163290110.db2.gz RYLSCRKZLLKAHR-MRXNPFEDSA-N 1 3 317.477 2.275 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[NH2+][C@@H]1CCc2c1cccc2F ZINC001404314567 1163580745 /nfs/dbraw/zinc/58/07/45/1163580745.db2.gz BRYOGIQOQSBUST-QGZVFWFLSA-N 1 3 321.440 2.201 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]CC1CCCCC1)N(C)C ZINC001405714175 1164200526 /nfs/dbraw/zinc/20/05/26/1164200526.db2.gz GSWDJLLDZBOTMT-WBVHZDCISA-N 1 3 311.514 2.495 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCN2C)cc1 ZINC001405793147 1164241785 /nfs/dbraw/zinc/24/17/85/1164241785.db2.gz JWBMJFSKSGVINU-WBVHZDCISA-N 1 3 303.450 2.026 20 0 DEADHO Cc1ccc(C[N@@H+](C)CCN(C)C(=O)CN(C)C2CCC2)cc1 ZINC001406108126 1164449665 /nfs/dbraw/zinc/44/96/65/1164449665.db2.gz ZECUACRSEWYCJX-UHFFFAOYSA-N 1 3 317.477 2.370 20 0 DEADHO Cc1ccc(C[N@H+](C)CCN(C)C(=O)CN(C)C2CCC2)cc1 ZINC001406108126 1164449674 /nfs/dbraw/zinc/44/96/74/1164449674.db2.gz ZECUACRSEWYCJX-UHFFFAOYSA-N 1 3 317.477 2.370 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCC2CC2)C1 ZINC001406170990 1164490693 /nfs/dbraw/zinc/49/06/93/1164490693.db2.gz BMNPJRFLAXNINE-IAGOWNOFSA-N 1 3 307.482 2.051 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCC2CC2)C1 ZINC001406170990 1164490694 /nfs/dbraw/zinc/49/06/94/1164490694.db2.gz BMNPJRFLAXNINE-IAGOWNOFSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CC1CC(F)(F)C1 ZINC001418276034 1167540000 /nfs/dbraw/zinc/54/00/00/1167540000.db2.gz PDGYLJNXIUFFPH-GFCCVEGCSA-N 1 3 319.440 2.104 20 0 DEADHO CCCN(C)CC(=O)NCC[N@H+](C)CC1CCC(F)(F)CC1 ZINC001418515599 1167749264 /nfs/dbraw/zinc/74/92/64/1167749264.db2.gz LDXUCNLGPYNFQW-UHFFFAOYSA-N 1 3 319.440 2.202 20 0 DEADHO CCCN(C)CC(=O)NCC[N@@H+](C)CC1CCC(F)(F)CC1 ZINC001418515599 1167749271 /nfs/dbraw/zinc/74/92/71/1167749271.db2.gz LDXUCNLGPYNFQW-UHFFFAOYSA-N 1 3 319.440 2.202 20 0 DEADHO CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C)N(CC)CC ZINC001418863341 1168018127 /nfs/dbraw/zinc/01/81/27/1168018127.db2.gz AHHUHEWAPBEDJT-BBWFWOEESA-N 1 3 309.498 2.438 20 0 DEADHO CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C)N(CC)CC ZINC001418863341 1168018134 /nfs/dbraw/zinc/01/81/34/1168018134.db2.gz AHHUHEWAPBEDJT-BBWFWOEESA-N 1 3 309.498 2.438 20 0 DEADHO CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2CC(C)C)[NH+](CC)CC ZINC001418863341 1168018143 /nfs/dbraw/zinc/01/81/43/1168018143.db2.gz AHHUHEWAPBEDJT-BBWFWOEESA-N 1 3 309.498 2.438 20 0 DEADHO CCC(CC)C[NH+]1CC(CNC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001419042692 1168154171 /nfs/dbraw/zinc/15/41/71/1168154171.db2.gz KDLKLWBLZWPKNV-GASCZTMLSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C(=O)[C@@H](F)CN(CC)CC)C1CC[NH+](CC)CC1 ZINC001419285939 1168374858 /nfs/dbraw/zinc/37/48/58/1168374858.db2.gz QCLXJQMQGAYJEO-INIZCTEOSA-N 1 3 315.477 2.389 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]([NH2+]Cc1ccc(F)cc1)C1CC1 ZINC001419323688 1168401967 /nfs/dbraw/zinc/40/19/67/1168401967.db2.gz LTDFSFWSMYHZPU-KRWDZBQOSA-N 1 3 321.440 2.150 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC1CCCC1 ZINC001420120177 1169174828 /nfs/dbraw/zinc/17/48/28/1169174828.db2.gz NDBYITFVPMEHAY-DLBZAZTESA-N 1 3 309.498 2.393 20 0 DEADHO Cc1cc(C)cc(CN(C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001420338389 1169375503 /nfs/dbraw/zinc/37/55/03/1169375503.db2.gz HNEKYSISGLPVHR-GOSISDBHSA-N 1 3 319.493 2.438 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@H](C)[NH2+]CCF)CC1 ZINC001420762885 1171125709 /nfs/dbraw/zinc/12/57/09/1171125709.db2.gz HRVJUEQRGHMPGF-GOEBONIOSA-N 1 3 313.461 2.047 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC2CC2)C1 ZINC001421271960 1171658121 /nfs/dbraw/zinc/65/81/21/1171658121.db2.gz RQQJRXIEPRDILE-FUHWJXTLSA-N 1 3 307.482 2.099 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@]1(C)CCC[N@@H+](CC(C)C)C1 ZINC001421295567 1171685740 /nfs/dbraw/zinc/68/57/40/1171685740.db2.gz YWZNRPWLXGLYFN-QGZVFWFLSA-N 1 3 306.454 2.135 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@]1(C)CCC[N@H+](CC(C)C)C1 ZINC001421295567 1171685746 /nfs/dbraw/zinc/68/57/46/1171685746.db2.gz YWZNRPWLXGLYFN-QGZVFWFLSA-N 1 3 306.454 2.135 20 0 DEADHO CC(C)N(C)CC(=O)NCCC1CC[NH+](CC2CCC2)CC1 ZINC001421635425 1171876551 /nfs/dbraw/zinc/87/65/51/1171876551.db2.gz FAKZNLHOVVANQW-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCC1 ZINC001421735159 1171946598 /nfs/dbraw/zinc/94/65/98/1171946598.db2.gz GBQRSSOGPZUFRP-DOTOQJQBSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1ccc(C)c(C[NH2+]C[C@@H](C)N(C)C(=O)Cc2c[nH]cn2)c1 ZINC001421957315 1172184453 /nfs/dbraw/zinc/18/44/53/1172184453.db2.gz MLKYIUPQNRRMRL-OAHLLOKOSA-N 1 3 314.433 2.206 20 0 DEADHO CCCCN1CCc2ccccc2[C@H]1CNC(=O)CC[NH+](C)C ZINC001422179338 1172374903 /nfs/dbraw/zinc/37/49/03/1172374903.db2.gz SQFWGMNMTGNZDF-GOSISDBHSA-N 1 3 317.477 2.454 20 0 DEADHO CN(C(=O)[C@@H]1CCCN1C)C1CCC([NH2+]C/C=C/Cl)CC1 ZINC001422420008 1172572721 /nfs/dbraw/zinc/57/27/21/1172572721.db2.gz JOFYRQKOWNLPCE-OMXXVJBNSA-N 1 3 313.873 2.192 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]Cc1cccc(F)c1)C1CC1 ZINC001423067471 1173054343 /nfs/dbraw/zinc/05/43/43/1173054343.db2.gz XNWAXHNSLRDASX-QGZVFWFLSA-N 1 3 321.440 2.150 20 0 DEADHO Cc1ccc(C[NH2+]C2(CNC(=O)CN(C)C(C)C)CC2)c(C)c1 ZINC001423308214 1173225025 /nfs/dbraw/zinc/22/50/25/1173225025.db2.gz PFDWGSUECJUHRH-UHFFFAOYSA-N 1 3 317.477 2.382 20 0 DEADHO C[NH+](C)CCC(=O)N1C[C@H](NCc2ccccc2F)C(C)(C)C1 ZINC001423403135 1173332732 /nfs/dbraw/zinc/33/27/32/1173332732.db2.gz NYINXIPBBIQLQC-INIZCTEOSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CC2CC2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001423464477 1173363206 /nfs/dbraw/zinc/36/32/06/1173363206.db2.gz MBEXFUNOWIAWFF-HOCLYGCPSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[NH+]1CCC(C)(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001423668345 1173478201 /nfs/dbraw/zinc/47/82/01/1173478201.db2.gz IGNHEFTYYZOHSQ-INIZCTEOSA-N 1 3 311.514 2.447 20 0 DEADHO CCCC[N@@H+]1CCC[C@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001423686144 1173490416 /nfs/dbraw/zinc/49/04/16/1173490416.db2.gz JHGNKVSDKSKKJC-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CCCC[N@H+]1CCC[C@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001423686144 1173490420 /nfs/dbraw/zinc/49/04/20/1173490420.db2.gz JHGNKVSDKSKKJC-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C(C)C ZINC001424676348 1173863620 /nfs/dbraw/zinc/86/36/20/1173863620.db2.gz LNELODCKPJRTJL-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO Cc1cc(CN(C)[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)c(C)s1 ZINC001425079347 1174168610 /nfs/dbraw/zinc/16/86/10/1174168610.db2.gz SGOHRWHQYLHILY-SWLSCSKDSA-N 1 3 323.506 2.253 20 0 DEADHO Cc1cc(CN(C)[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)c(C)s1 ZINC001425079347 1174168616 /nfs/dbraw/zinc/16/86/16/1174168616.db2.gz SGOHRWHQYLHILY-SWLSCSKDSA-N 1 3 323.506 2.253 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001425417009 1174310837 /nfs/dbraw/zinc/31/08/37/1174310837.db2.gz FAKOCIBUXKPLKF-KKUMJFAQSA-N 1 3 315.477 2.197 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001425642298 1174428242 /nfs/dbraw/zinc/42/82/42/1174428242.db2.gz UJWPFTNFOYTAGJ-RHSMWYFYSA-N 1 3 323.456 2.348 20 0 DEADHO Cc1ccccc1C[NH2+]C1CC(N(C)C(=O)CN(C)C(C)C)C1 ZINC001426245251 1174667066 /nfs/dbraw/zinc/66/70/66/1174667066.db2.gz LFONKATVHUDBBF-UHFFFAOYSA-N 1 3 317.477 2.414 20 0 DEADHO C[C@@H]1[C@H](C(=O)N2CCN(CC3CCC(C)CC3)CC2)CC[N@@H+]1C ZINC001433419179 1177823412 /nfs/dbraw/zinc/82/34/12/1177823412.db2.gz HDLFLWYHTNZWSS-GPQLOAJWSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@@H]1[C@H](C(=O)N2CCN(CC3CCC(C)CC3)CC2)CC[N@H+]1C ZINC001433419179 1177823415 /nfs/dbraw/zinc/82/34/15/1177823415.db2.gz HDLFLWYHTNZWSS-GPQLOAJWSA-N 1 3 321.509 2.297 20 0 DEADHO CCN1CCC[C@H](NC(=O)c2cccc(CC[NH+](C)C)c2)C1 ZINC001434382089 1178428523 /nfs/dbraw/zinc/42/85/23/1178428523.db2.gz ZMEDLRMCLNWVDA-KRWDZBQOSA-N 1 3 303.450 2.005 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+][C@@H]2CCO[C@H]2C2CC2)CC1 ZINC001434540437 1178802756 /nfs/dbraw/zinc/80/27/56/1178802756.db2.gz ZNWOOFYDZYNKGF-UMQBVGHOSA-N 1 3 308.466 2.177 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(C)c2)C1)N(C)C ZINC001436390622 1179075998 /nfs/dbraw/zinc/07/59/98/1179075998.db2.gz OEVLNEHVDZFVTJ-BZSNNMDCSA-N 1 3 317.477 2.320 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001436957679 1179317789 /nfs/dbraw/zinc/31/77/89/1179317789.db2.gz ZVGHRJTWZQGVKI-OAGGEKHMSA-N 1 3 309.498 2.390 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001437153944 1179494636 /nfs/dbraw/zinc/49/46/36/1179494636.db2.gz KFBFBCHQFCRANA-WMZOPIPTSA-N 1 3 317.477 2.464 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCc2ccsc2)C1 ZINC001437289120 1179694955 /nfs/dbraw/zinc/69/49/55/1179694955.db2.gz BMWSHLATHBXMMJ-HNNXBMFYSA-N 1 3 309.479 2.171 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2ccsc2)C1 ZINC001437289120 1179694984 /nfs/dbraw/zinc/69/49/84/1179694984.db2.gz BMWSHLATHBXMMJ-HNNXBMFYSA-N 1 3 309.479 2.171 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([N@H+](C)CC2CC(C)C2)C1 ZINC001437348134 1179748906 /nfs/dbraw/zinc/74/89/06/1179748906.db2.gz LADMNTYFGIZJMR-JCYILVPMSA-N 1 3 309.498 2.297 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([N@@H+](C)CC2CC(C)C2)C1 ZINC001437348134 1179748918 /nfs/dbraw/zinc/74/89/18/1179748918.db2.gz LADMNTYFGIZJMR-JCYILVPMSA-N 1 3 309.498 2.297 20 0 DEADHO CN(CCNC(=O)CC1CC[NH+](C)CC1)CCc1cccs1 ZINC001437522961 1179835190 /nfs/dbraw/zinc/83/51/90/1179835190.db2.gz OVLOSVBCVXZBRA-UHFFFAOYSA-N 1 3 323.506 2.071 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001437729082 1179913690 /nfs/dbraw/zinc/91/36/90/1179913690.db2.gz RSZRUBHOKMDZSY-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C)C[N@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001437729082 1179913706 /nfs/dbraw/zinc/91/37/06/1179913706.db2.gz RSZRUBHOKMDZSY-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](c1ccccc1)[NH+]1CC(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001438140951 1180214305 /nfs/dbraw/zinc/21/43/05/1180214305.db2.gz BWOCGNUSVSADDJ-HZPDHXFCSA-N 1 3 315.461 2.137 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1C[NH+](CC2CCCCC2)C1 ZINC001438157450 1180219416 /nfs/dbraw/zinc/21/94/16/1180219416.db2.gz JGLKQCFTZAKZKG-HZPDHXFCSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN(C)CC(=O)NCC1C[NH+](Cc2cc(C)ccc2C)C1 ZINC001438161171 1180220199 /nfs/dbraw/zinc/22/01/99/1180220199.db2.gz UNGJUPCTRQFFOJ-UHFFFAOYSA-N 1 3 317.477 2.193 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC1CC[NH+](CC2CC2)CC1 ZINC001438451770 1180446427 /nfs/dbraw/zinc/44/64/27/1180446427.db2.gz IAQKRIDGWBOYMI-GOSISDBHSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCC(C)(C)C ZINC001438827266 1180823160 /nfs/dbraw/zinc/82/31/60/1180823160.db2.gz IWCKUSZQDWJADU-HZPDHXFCSA-N 1 3 311.514 2.495 20 0 DEADHO C[C@H](CN[C@H](C)c1ccccc1F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001439142007 1180894949 /nfs/dbraw/zinc/89/49/49/1180894949.db2.gz DGVKGXMSKXDFNB-ZIAGYGMSSA-N 1 3 321.440 2.323 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC2(C)CC[NH+](CCC3CC3)CC2)C1 ZINC001439802966 1181241500 /nfs/dbraw/zinc/24/15/00/1181241500.db2.gz RAJJWNWQSSRUNF-OAHLLOKOSA-N 1 3 307.482 2.099 20 0 DEADHO CCC1([NH2+]CCC2CC2)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001440533391 1181584866 /nfs/dbraw/zinc/58/48/66/1181584866.db2.gz SPROWDPXZDKHOV-MRXNPFEDSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([N@H+](C)C/C=C\Cl)CC1 ZINC001441393111 1181971971 /nfs/dbraw/zinc/97/19/71/1181971971.db2.gz BZZSMDCTCYUHBT-YVMONPNESA-N 1 3 301.862 2.002 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([N@@H+](C)C/C=C\Cl)CC1 ZINC001441393111 1181971973 /nfs/dbraw/zinc/97/19/73/1181971973.db2.gz BZZSMDCTCYUHBT-YVMONPNESA-N 1 3 301.862 2.002 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)CCC)C1 ZINC001441477004 1182013192 /nfs/dbraw/zinc/01/31/92/1182013192.db2.gz MQGCKZMDWFOQMA-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)CCC)C1 ZINC001441477004 1182013199 /nfs/dbraw/zinc/01/31/99/1182013199.db2.gz MQGCKZMDWFOQMA-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CCc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001441553020 1182055798 /nfs/dbraw/zinc/05/57/98/1182055798.db2.gz XIONKQDRDHHVHJ-HDICACEKSA-N 1 3 317.477 2.326 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CN2CC[C@H](C)C2)cc1 ZINC001441592239 1182078658 /nfs/dbraw/zinc/07/86/58/1182078658.db2.gz FYNSVTBDCSXHMW-DLBZAZTESA-N 1 3 317.477 2.273 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001441672578 1182123183 /nfs/dbraw/zinc/12/31/83/1182123183.db2.gz BHTDXCFKLQDRNP-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)C[NH+]1CCCCC1 ZINC001441921329 1182251457 /nfs/dbraw/zinc/25/14/57/1182251457.db2.gz YNPIDGFNPNKYAN-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CC[C@@H](F)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001442194482 1182361574 /nfs/dbraw/zinc/36/15/74/1182361574.db2.gz JPOMWUKUJXBHGX-FVQBIDKESA-N 1 3 315.477 2.291 20 0 DEADHO CC(C)CC[N@H+](C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001442199129 1182364212 /nfs/dbraw/zinc/36/42/12/1182364212.db2.gz QPYGDQYCDSPOCR-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001442199129 1182364217 /nfs/dbraw/zinc/36/42/17/1182364217.db2.gz QPYGDQYCDSPOCR-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1C(C)C)N1CCCCC1 ZINC001442850572 1182743948 /nfs/dbraw/zinc/74/39/48/1182743948.db2.gz SVFWDFNZPVKAMX-SJORKVTESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+]1C(C)C)N1CCCCC1 ZINC001442850572 1182743953 /nfs/dbraw/zinc/74/39/53/1182743953.db2.gz SVFWDFNZPVKAMX-SJORKVTESA-N 1 3 309.498 2.486 20 0 DEADHO CCC[N@H+](CCNC(=O)CN1[C@H](C)CC[C@@H]1C)CC1CCC1 ZINC001442969028 1182815010 /nfs/dbraw/zinc/81/50/10/1182815010.db2.gz PMLILXXDBJAOPK-IYBDPMFKSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@@H+](CCNC(=O)CN1[C@H](C)CC[C@@H]1C)CC1CCC1 ZINC001442969028 1182815011 /nfs/dbraw/zinc/81/50/11/1182815011.db2.gz PMLILXXDBJAOPK-IYBDPMFKSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001443423326 1182973094 /nfs/dbraw/zinc/97/30/94/1182973094.db2.gz RMKDGDAHZFGDEN-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001443423326 1182973100 /nfs/dbraw/zinc/97/31/00/1182973100.db2.gz RMKDGDAHZFGDEN-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001443423326 1182973110 /nfs/dbraw/zinc/97/31/10/1182973110.db2.gz RMKDGDAHZFGDEN-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO C[NH+](C)CCC(=O)NCC1CN(Cc2ccccc2C2CC2)C1 ZINC001443609240 1183051464 /nfs/dbraw/zinc/05/14/64/1183051464.db2.gz NZNAQUQGNIRNFQ-UHFFFAOYSA-N 1 3 315.461 2.064 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC[C@H](C)F)CC1)N(C)C ZINC001444170243 1183306064 /nfs/dbraw/zinc/30/60/64/1183306064.db2.gz PJAWHXLNHQVFLY-ZQDZILKHSA-N 1 3 301.450 2.092 20 0 DEADHO C[C@H](C[NH2+]CC1CC(C)C1)N(C)C(=O)CN1CCC(C)CC1 ZINC001444698135 1183522226 /nfs/dbraw/zinc/52/22/26/1183522226.db2.gz UWVFNPDNUOYURY-AQFXKWCLSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@@H](F)CNC[C@@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001444723416 1183531641 /nfs/dbraw/zinc/53/16/41/1183531641.db2.gz PEWUVPCWVWBCKR-HUUCEWRRSA-N 1 3 301.450 2.047 20 0 DEADHO CN(CC[N@H+](C)CCc1cccs1)C(=O)[C@H]1CCCCN1C ZINC001445004014 1183702185 /nfs/dbraw/zinc/70/21/85/1183702185.db2.gz DTOXIFZIWASXFS-MRXNPFEDSA-N 1 3 323.506 2.165 20 0 DEADHO CN(CC[N@@H+](C)CCc1cccs1)C(=O)[C@H]1CCCCN1C ZINC001445004014 1183702197 /nfs/dbraw/zinc/70/21/97/1183702197.db2.gz DTOXIFZIWASXFS-MRXNPFEDSA-N 1 3 323.506 2.165 20 0 DEADHO C[C@@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)CN1CCCC1 ZINC001445090295 1183767461 /nfs/dbraw/zinc/76/74/61/1183767461.db2.gz ZKSLDCQYJPCSGW-INIZCTEOSA-N 1 3 303.450 2.234 20 0 DEADHO C[C@@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)CN1CCCC1 ZINC001445090295 1183767470 /nfs/dbraw/zinc/76/74/70/1183767470.db2.gz ZKSLDCQYJPCSGW-INIZCTEOSA-N 1 3 303.450 2.234 20 0 DEADHO C[C@H](C[NH2+]Cc1cccc(Cl)c1)NC(=O)CN1CC[C@@H](C)C1 ZINC001445437923 1183873017 /nfs/dbraw/zinc/87/30/17/1183873017.db2.gz YJNVDJZHQSGLDB-ZIAGYGMSSA-N 1 3 323.868 2.276 20 0 DEADHO Cc1cccc(C[NH2+]C[C@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001445558679 1183904896 /nfs/dbraw/zinc/90/48/96/1183904896.db2.gz YAAODKJBOQXEBU-HNNXBMFYSA-N 1 3 303.450 2.074 20 0 DEADHO C[C@@H](CN(C)Cc1ccc(C2CC2)cc1)NC(=O)CC[NH+](C)C ZINC001445790665 1184057077 /nfs/dbraw/zinc/05/70/77/1184057077.db2.gz BGPOKXMRHXYILB-HNNXBMFYSA-N 1 3 317.477 2.452 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CC1)C1CC1 ZINC001445974829 1184157870 /nfs/dbraw/zinc/15/78/70/1184157870.db2.gz ARUKPMFUFPKRKL-IRXDYDNUSA-N 1 3 307.482 2.144 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@](C)(C[NH2+]CC3CCCC3)C2)CCC1 ZINC001446588248 1184431858 /nfs/dbraw/zinc/43/18/58/1184431858.db2.gz XEASVLPBUDPDIV-SFHVURJKSA-N 1 3 321.509 2.489 20 0 DEADHO CCC1([NH2+]CC(C)C)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001447405311 1184761350 /nfs/dbraw/zinc/76/13/50/1184761350.db2.gz HQTBXAYFBRBORD-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](F)C[NH2+]C1(C)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001447547689 1184806931 /nfs/dbraw/zinc/80/69/31/1184806931.db2.gz HRHJIACCBAMLGB-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)CCC[NH+]1CC([C@H](C)NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001448310350 1185157674 /nfs/dbraw/zinc/15/76/74/1185157674.db2.gz AGIZNNOUEHXAJB-RDJZCZTQSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)cc2)[C@@H]1C ZINC001448966879 1185464451 /nfs/dbraw/zinc/46/44/51/1185464451.db2.gz BSDOOBQIMHWPJH-WMLDXEAASA-N 1 3 321.440 2.245 20 0 DEADHO C[C@@H]1[C@H]([NH2+]C/C=C\c2ccccc2)CCN1C(=O)Cc1c[nH]cn1 ZINC001448976660 1185468106 /nfs/dbraw/zinc/46/81/06/1185468106.db2.gz GMNUQUMUKVFAEH-ZTNYTRGMSA-N 1 3 324.428 2.245 20 0 DEADHO CN(CC1CC[NH+](C)CC1)c1ncccc1CN1CCCC1 ZINC001165044083 721939198 /nfs/dbraw/zinc/93/91/98/721939198.db2.gz HBLIPTQXCYWLPQ-UHFFFAOYSA-N 1 3 302.466 2.455 20 0 DEADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)C1)C1CCC1 ZINC001370483926 1149784474 /nfs/dbraw/zinc/78/44/74/1149784474.db2.gz NZHAPGBHMSLVJV-WKILWMFISA-N 1 3 319.424 2.047 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCc2cccs2)C1)N(C)C ZINC001370545993 1149808310 /nfs/dbraw/zinc/80/83/10/1149808310.db2.gz JATYBTCHRISTRK-DZKIICNBSA-N 1 3 323.506 2.114 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C)C1 ZINC001370547168 1149808550 /nfs/dbraw/zinc/80/85/50/1149808550.db2.gz KXDSMYDZOCPTHD-QAQDUYKDSA-N 1 3 303.450 2.074 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CC[N@H+](CCC(C)(C)C)C2)N(C)C ZINC001072851433 790273193 /nfs/dbraw/zinc/27/31/93/790273193.db2.gz VGJVVVPZAKFLBV-OAHLLOKOSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](CCC(C)(C)C)C2)N(C)C ZINC001072851433 790273196 /nfs/dbraw/zinc/27/31/96/790273196.db2.gz VGJVVVPZAKFLBV-OAHLLOKOSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)(C(=O)NCC[NH2+]Cc1ccccc1)N1CCCCC1 ZINC001127322506 782655250 /nfs/dbraw/zinc/65/52/50/782655250.db2.gz RGTIYSIAJXSTBP-UHFFFAOYSA-N 1 3 303.450 2.157 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@@H]2CC[N@H+](CC3CC3)CC(C)(C)C2)C1 ZINC001089486734 783152067 /nfs/dbraw/zinc/15/20/67/783152067.db2.gz CGPRJCIPQHEZIX-DOTOQJQBSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@@H]2CC[N@@H+](CC3CC3)CC(C)(C)C2)C1 ZINC001089486734 783152076 /nfs/dbraw/zinc/15/20/76/783152076.db2.gz CGPRJCIPQHEZIX-DOTOQJQBSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001104676322 778016129 /nfs/dbraw/zinc/01/61/29/778016129.db2.gz FJZJSRHKTFGBHM-IXDOHACOSA-N 1 3 309.498 2.201 20 0 DEADHO CC[NH+](CC)CCC[C@@H](C)N1CCN(C[C@H]2CCCO2)CC1 ZINC001167824673 778667118 /nfs/dbraw/zinc/66/71/18/778667118.db2.gz FAKQEKNJAWZFHO-QZTJIDSGSA-N 1 3 311.514 2.294 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CC2(C1)CC[N@H+](CCC1CC1)C2 ZINC001073454354 790665790 /nfs/dbraw/zinc/66/57/90/790665790.db2.gz KIMCBQCBDCTPGH-HOTGVXAUSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CC2(C1)CC[N@@H+](CCC1CC1)C2 ZINC001073454354 790665794 /nfs/dbraw/zinc/66/57/94/790665794.db2.gz KIMCBQCBDCTPGH-HOTGVXAUSA-N 1 3 319.493 2.194 20 0 DEADHO CN(C)Cc1cccc(-n2cc(CC[NH3+])c3cc(O)ccc32)n1 ZINC001167984418 779155323 /nfs/dbraw/zinc/15/53/23/779155323.db2.gz ZGAGEKARPSIBIQ-UHFFFAOYSA-N 1 3 310.401 2.294 20 0 DEADHO CCC(CO)(CO)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168015578 779344453 /nfs/dbraw/zinc/34/44/53/779344453.db2.gz RNMHZOMBZWXGBB-ALXJQNPVSA-N 1 3 320.477 2.151 20 0 DEADHO CCC(CO)(CO)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168015578 779344459 /nfs/dbraw/zinc/34/44/59/779344459.db2.gz RNMHZOMBZWXGBB-ALXJQNPVSA-N 1 3 320.477 2.151 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC=C(C)C)CC[C@@H]2C1)N(C)C ZINC001088010658 779632436 /nfs/dbraw/zinc/63/24/36/779632436.db2.gz DRDZKILJKSKMBR-IXDOHACOSA-N 1 3 307.482 2.073 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CC=C(C)C)CC[C@@H]2C1)N(C)C ZINC001088010658 779632437 /nfs/dbraw/zinc/63/24/37/779632437.db2.gz DRDZKILJKSKMBR-IXDOHACOSA-N 1 3 307.482 2.073 20 0 DEADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCCC[C@@H](NCCF)C1 ZINC001088330411 779971962 /nfs/dbraw/zinc/97/19/62/779971962.db2.gz YPPCHECFUKJCKL-CVEARBPZSA-N 1 3 313.461 2.191 20 0 DEADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CCCCC[C@@H](NCCF)C1 ZINC001088330411 779971968 /nfs/dbraw/zinc/97/19/68/779971968.db2.gz YPPCHECFUKJCKL-CVEARBPZSA-N 1 3 313.461 2.191 20 0 DEADHO c1cc(CN2CC[C@H]([NH2+]C3CCN(CC4CC4)CC3)C2)ccn1 ZINC001168366452 781142467 /nfs/dbraw/zinc/14/24/67/781142467.db2.gz SGGSOPZUVORENJ-IBGZPJMESA-N 1 3 314.477 2.120 20 0 DEADHO c1cc(CN2CC[C@H](NC3CC[NH+](CC4CC4)CC3)C2)ccn1 ZINC001168366452 781142470 /nfs/dbraw/zinc/14/24/70/781142470.db2.gz SGGSOPZUVORENJ-IBGZPJMESA-N 1 3 314.477 2.120 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCC[NH2+]CC1CC2(CCC2)C1 ZINC001127081915 781733916 /nfs/dbraw/zinc/73/39/16/781733916.db2.gz GAKAOLAMGWUVFW-INIZCTEOSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)N1CCN(CC[NH2+][C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168407808 781885154 /nfs/dbraw/zinc/88/51/54/781885154.db2.gz QYOWIYSOOAFLCV-LJQANCHMSA-N 1 3 319.468 2.299 20 0 DEADHO CC(C)[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001089821379 783480599 /nfs/dbraw/zinc/48/05/99/783480599.db2.gz SOEGDQGAWKLSEA-NXOAAHMSSA-N 1 3 319.493 2.048 20 0 DEADHO CC(C)[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001089821379 783480605 /nfs/dbraw/zinc/48/06/05/783480605.db2.gz SOEGDQGAWKLSEA-NXOAAHMSSA-N 1 3 319.493 2.048 20 0 DEADHO CN(C[C@@H]1CCN1CCCC1CCC1)C(=O)C1CC[NH+](C)CC1 ZINC001085798943 784096439 /nfs/dbraw/zinc/09/64/39/784096439.db2.gz DYRQAIIXXFDSRO-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CC2CCCCC2)C1)C1CC1 ZINC000968915691 784648146 /nfs/dbraw/zinc/64/81/46/784648146.db2.gz NNRMOICGFRZAPB-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC000968989736 784683273 /nfs/dbraw/zinc/68/32/73/784683273.db2.gz LDOPVZHIABWKNY-SJORKVTESA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC000968996597 784685045 /nfs/dbraw/zinc/68/50/45/784685045.db2.gz KRTPNLLZIKGTIW-SJORKVTESA-N 1 3 321.440 2.102 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CCCN2CCCC2)CN1C(=O)OC(C)(C)C ZINC001168799205 784920846 /nfs/dbraw/zinc/92/08/46/784920846.db2.gz BOVVPGCIZNKPHL-LSDHHAIUSA-N 1 3 311.470 2.460 20 0 DEADHO C[C@H]1C[C@@H](NCCC[NH+]2CCCC2)CN1C(=O)OC(C)(C)C ZINC001168799205 784920838 /nfs/dbraw/zinc/92/08/38/784920838.db2.gz BOVVPGCIZNKPHL-LSDHHAIUSA-N 1 3 311.470 2.460 20 0 DEADHO C[C@H]1C[C@@H](NCC[C@H]2CCC[N@@H+]2C)CN1C(=O)OC(C)(C)C ZINC001168830247 784932592 /nfs/dbraw/zinc/93/25/92/784932592.db2.gz RJGNCYBIBNKHLY-RRFJBIMHSA-N 1 3 311.470 2.458 20 0 DEADHO C[C@H]1C[C@@H](NCC[C@H]2CCC[N@H+]2C)CN1C(=O)OC(C)(C)C ZINC001168830247 784932598 /nfs/dbraw/zinc/93/25/98/784932598.db2.gz RJGNCYBIBNKHLY-RRFJBIMHSA-N 1 3 311.470 2.458 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CC[C@H]2CCCN2C)CN1C(=O)OC(C)(C)C ZINC001168830247 784932606 /nfs/dbraw/zinc/93/26/06/784932606.db2.gz RJGNCYBIBNKHLY-RRFJBIMHSA-N 1 3 311.470 2.458 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCC[C@@](O)(C(F)(F)F)C1)C2 ZINC001169125658 785048206 /nfs/dbraw/zinc/04/82/06/785048206.db2.gz KVRYCUWMPCSMMM-DGAVXFQQSA-N 1 3 306.372 2.391 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCC[C@@](O)(C(F)(F)F)C1)C2 ZINC001169125658 785048216 /nfs/dbraw/zinc/04/82/16/785048216.db2.gz KVRYCUWMPCSMMM-DGAVXFQQSA-N 1 3 306.372 2.391 20 0 DEADHO CCC(CC)C(=O)N1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169112744 785059263 /nfs/dbraw/zinc/05/92/63/785059263.db2.gz SGRXGIXNXAMSHT-WCXIOVBPSA-N 1 3 307.482 2.238 20 0 DEADHO CCC(CC)C(=O)N1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169112744 785059270 /nfs/dbraw/zinc/05/92/70/785059270.db2.gz SGRXGIXNXAMSHT-WCXIOVBPSA-N 1 3 307.482 2.238 20 0 DEADHO CCc1nnc(C2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)N4C)CC2)o1 ZINC001169145678 785064301 /nfs/dbraw/zinc/06/43/01/785064301.db2.gz NEYBQCIVXPAUGD-QDMKHBRRSA-N 1 3 304.438 2.437 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001008052394 785091420 /nfs/dbraw/zinc/09/14/20/785091420.db2.gz LBYNEWONXXQIKP-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001008052394 785091432 /nfs/dbraw/zinc/09/14/32/785091432.db2.gz LBYNEWONXXQIKP-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO C[NH+]1CCC(C(=O)N[C@H]2CCCN(CC3=CCCCC3)C2)CC1 ZINC001008407988 785193216 /nfs/dbraw/zinc/19/32/16/785193216.db2.gz XHUNHZYCKKDBGC-SFHVURJKSA-N 1 3 319.493 2.409 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001009610326 785492449 /nfs/dbraw/zinc/49/24/49/785492449.db2.gz LBWIBVGCPDJTAK-QGZVFWFLSA-N 1 3 303.450 2.352 20 0 DEADHO CCC[N@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001009610326 785492458 /nfs/dbraw/zinc/49/24/58/785492458.db2.gz LBWIBVGCPDJTAK-QGZVFWFLSA-N 1 3 303.450 2.352 20 0 DEADHO CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)N(C)CC)C2 ZINC001109464134 785887614 /nfs/dbraw/zinc/88/76/14/785887614.db2.gz NJNIZFCOJLYNID-FZKCQIBNSA-N 1 3 309.498 2.484 20 0 DEADHO CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)N(C)CC)C2 ZINC001109464134 785887626 /nfs/dbraw/zinc/88/76/26/785887626.db2.gz NJNIZFCOJLYNID-FZKCQIBNSA-N 1 3 309.498 2.484 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC2CC2)C1 ZINC001112586206 786165688 /nfs/dbraw/zinc/16/56/88/786165688.db2.gz MWPXPBVJQPWSJA-HKUYNNGSSA-N 1 3 321.509 2.345 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001014631048 786667469 /nfs/dbraw/zinc/66/74/69/786667469.db2.gz ODAXBFNLJJOELV-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001014631048 786667476 /nfs/dbraw/zinc/66/74/76/786667476.db2.gz ODAXBFNLJJOELV-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)=CCN1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001014893491 786795991 /nfs/dbraw/zinc/79/59/91/786795991.db2.gz KAJFSNVJGLAZPL-MRXNPFEDSA-N 1 3 305.466 2.019 20 0 DEADHO CC(C)N1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001015603277 787134335 /nfs/dbraw/zinc/13/43/35/787134335.db2.gz QMLNCMMJIKDVBA-DOTOQJQBSA-N 1 3 307.482 2.382 20 0 DEADHO CC(C)N1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001015603277 787134342 /nfs/dbraw/zinc/13/43/42/787134342.db2.gz QMLNCMMJIKDVBA-DOTOQJQBSA-N 1 3 307.482 2.382 20 0 DEADHO CN(C)[C@@H](C(=O)NCC[NH2+]CCC1CCCCCC1)C1CC1 ZINC001129444555 787211689 /nfs/dbraw/zinc/21/16/89/787211689.db2.gz UZQKZFJFIHKHGJ-QGZVFWFLSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@H](NCCNC(=O)CC[C@H]1CCC[N@@H+]1C)c1cccc(F)c1 ZINC001129855525 787252023 /nfs/dbraw/zinc/25/20/23/787252023.db2.gz GWOQGCJLZPSLQC-WMLDXEAASA-N 1 3 321.440 2.467 20 0 DEADHO C[C@H](NCCNC(=O)CC[C@H]1CCC[N@H+]1C)c1cccc(F)c1 ZINC001129855525 787252028 /nfs/dbraw/zinc/25/20/28/787252028.db2.gz GWOQGCJLZPSLQC-WMLDXEAASA-N 1 3 321.440 2.467 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+]Cc1ccc(C(F)F)cc1)N(C)C ZINC001130203593 787314006 /nfs/dbraw/zinc/31/40/06/787314006.db2.gz QMQHYGYLTZAJSL-CQSZACIVSA-N 1 3 313.392 2.170 20 0 DEADHO C[C@H](Nc1ccc(SC2CC[NH2+]CC2)cc1)[C@@H]1CNCCO1 ZINC001170574358 787662876 /nfs/dbraw/zinc/66/28/76/787662876.db2.gz NDWJKLRWBHOMCG-GUYCJALGSA-N 1 3 321.490 2.320 20 0 DEADHO CC[NH+](CC)Cc1cc(N[C@H](C)[C@@H]2CNCCO2)ccc1OC ZINC001170575528 787669050 /nfs/dbraw/zinc/66/90/50/787669050.db2.gz QDPZQSZGCLWKDP-KDOFPFPSSA-N 1 3 321.465 2.326 20 0 DEADHO C[C@H](Nc1ccc(F)c(CN2CCCC2)c1)[C@H]1C[NH2+]CCO1 ZINC001170576472 787678157 /nfs/dbraw/zinc/67/81/57/787678157.db2.gz VLFBQZFDUOPAID-SUMWQHHRSA-N 1 3 307.413 2.210 20 0 DEADHO C[C@H](Nc1ccc(F)c(C[NH+]2CCCC2)c1)[C@H]1CNCCO1 ZINC001170576472 787678159 /nfs/dbraw/zinc/67/81/59/787678159.db2.gz VLFBQZFDUOPAID-SUMWQHHRSA-N 1 3 307.413 2.210 20 0 DEADHO C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)CN1Cc1ccccc1 ZINC001132269272 787997788 /nfs/dbraw/zinc/99/77/88/787997788.db2.gz ICLMDDWDYADMBE-AEFFLSMTSA-N 1 3 317.477 2.498 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(C)C ZINC001097404817 788086115 /nfs/dbraw/zinc/08/61/15/788086115.db2.gz CNLHJVIXMKLPCD-BDXSIMOUSA-N 1 3 321.509 2.484 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(C)C ZINC001097404817 788086122 /nfs/dbraw/zinc/08/61/22/788086122.db2.gz CNLHJVIXMKLPCD-BDXSIMOUSA-N 1 3 321.509 2.484 20 0 DEADHO O=C(NCCNC/C=C\Cl)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132794650 788197549 /nfs/dbraw/zinc/19/75/49/788197549.db2.gz CVNCGTQRIQVMSZ-HMZQOCAUSA-N 1 3 313.873 2.242 20 0 DEADHO O=C(NCCNC/C=C\Cl)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001132794650 788197552 /nfs/dbraw/zinc/19/75/52/788197552.db2.gz CVNCGTQRIQVMSZ-HMZQOCAUSA-N 1 3 313.873 2.242 20 0 DEADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CCC1CC1 ZINC001132888048 788218708 /nfs/dbraw/zinc/21/87/08/788218708.db2.gz KDAORVCWKBXNJN-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1C ZINC001132891893 788219447 /nfs/dbraw/zinc/21/94/47/788219447.db2.gz ALUQIQWVKCPRID-HZPDHXFCSA-N 1 3 309.498 2.201 20 0 DEADHO Cc1nc(C(C)C)ccc1CNCCNC(=O)CCC[NH+](C)C ZINC001133040366 788258654 /nfs/dbraw/zinc/25/86/54/788258654.db2.gz NNXHZENTYKJVMF-UHFFFAOYSA-N 1 3 320.481 2.061 20 0 DEADHO CC(C)[NH2+]C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1C ZINC001133121572 788287652 /nfs/dbraw/zinc/28/76/52/788287652.db2.gz JGKLCGXLUIVBRH-CVEARBPZSA-N 1 3 311.514 2.447 20 0 DEADHO C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C[NH2+]CCF ZINC001133123099 788288795 /nfs/dbraw/zinc/28/87/95/788288795.db2.gz YRFLAVPCDOHPSZ-CABCVRRESA-N 1 3 315.477 2.008 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CC2CCCC2)C1 ZINC001000193403 788336347 /nfs/dbraw/zinc/33/63/47/788336347.db2.gz PZGLGPQZKLZGQJ-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@@H]([NH2+]CCNC(=O)CN1CCC[C@@H]1C)c1ccccc1 ZINC001133823637 788620380 /nfs/dbraw/zinc/62/03/80/788620380.db2.gz KZEMLKLWRILFOT-DOTOQJQBSA-N 1 3 303.450 2.328 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]Cc1cccc(Cl)c1 ZINC001133834331 788628505 /nfs/dbraw/zinc/62/85/05/788628505.db2.gz UXDWDQJMYLLBGR-ZDUSSCGKSA-N 1 3 309.841 2.030 20 0 DEADHO C[C@H](NCCNC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccccc1Cl ZINC001133851044 788632934 /nfs/dbraw/zinc/63/29/34/788632934.db2.gz VPKVILAHGBYJPJ-KBPBESRZSA-N 1 3 323.868 2.449 20 0 DEADHO C[C@H](NCCNC(=O)C[N@H+]1CC[C@H](C)C1)c1ccccc1Cl ZINC001133851044 788632942 /nfs/dbraw/zinc/63/29/42/788632942.db2.gz VPKVILAHGBYJPJ-KBPBESRZSA-N 1 3 323.868 2.449 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCOC(C)C ZINC001134774035 789074738 /nfs/dbraw/zinc/07/47/38/789074738.db2.gz UJWBJWQCPOLNOO-HUUCEWRRSA-N 1 3 315.502 2.015 20 0 DEADHO O=C(NCCNCc1ccc(F)cc1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135092713 789200207 /nfs/dbraw/zinc/20/02/07/789200207.db2.gz CGODQVJUDHLEHJ-IRXDYDNUSA-N 1 3 319.424 2.048 20 0 DEADHO O=C(NCCNCc1ccc(F)cc1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135092713 789200208 /nfs/dbraw/zinc/20/02/08/789200208.db2.gz CGODQVJUDHLEHJ-IRXDYDNUSA-N 1 3 319.424 2.048 20 0 DEADHO C[C@H](C[C@H](C)NC(=O)CC[NH+](C)C)NC/C(Cl)=C\Cl ZINC001135371672 789303338 /nfs/dbraw/zinc/30/33/38/789303338.db2.gz HKHBYONVFSFBND-RJEBGXRKSA-N 1 3 310.269 2.130 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1cc(C)no1 ZINC001135973723 789585004 /nfs/dbraw/zinc/58/50/04/789585004.db2.gz COGUSNBONUCOSF-KBPBESRZSA-N 1 3 324.469 2.088 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1cc(C)no1 ZINC001135973723 789585010 /nfs/dbraw/zinc/58/50/10/789585010.db2.gz COGUSNBONUCOSF-KBPBESRZSA-N 1 3 324.469 2.088 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccnc1C ZINC001135976175 789586150 /nfs/dbraw/zinc/58/61/50/789586150.db2.gz HKXHUNLMZQETOU-GJZGRUSLSA-N 1 3 320.481 2.105 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1conc1C ZINC001135992157 789588678 /nfs/dbraw/zinc/58/86/78/789588678.db2.gz QBGMWIJFECUFJE-KGLIPLIRSA-N 1 3 324.469 2.088 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1conc1C ZINC001135992157 789588687 /nfs/dbraw/zinc/58/86/87/789588687.db2.gz QBGMWIJFECUFJE-KGLIPLIRSA-N 1 3 324.469 2.088 20 0 DEADHO CCOC(=O)c1cc2cc(N[C@@H](N)CCC[NH3+])ccc2nc1C ZINC001170905691 789647269 /nfs/dbraw/zinc/64/72/69/789647269.db2.gz UZZQABIJAQMNFT-MRXNPFEDSA-N 1 3 316.405 2.156 20 0 DEADHO CN(C)C1(C(=O)NCCC[NH2+]CCCCC(F)(F)F)CCC1 ZINC001159854259 789704949 /nfs/dbraw/zinc/70/49/49/789704949.db2.gz OCNMZMJRSASINZ-UHFFFAOYSA-N 1 3 323.403 2.299 20 0 DEADHO C[C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C[N@@H+]1CC1CC1 ZINC001071738621 789899241 /nfs/dbraw/zinc/89/92/41/789899241.db2.gz FXGWJVFNAZFTGU-HOCLYGCPSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C[N@H+]1CC1CC1 ZINC001071738621 789899248 /nfs/dbraw/zinc/89/92/48/789899248.db2.gz FXGWJVFNAZFTGU-HOCLYGCPSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CC1CCC1 ZINC001072298337 790109484 /nfs/dbraw/zinc/10/94/84/790109484.db2.gz XVWZKCFRXCXROF-DOTOQJQBSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C[NH2+]CC1CC1 ZINC001072364879 790124540 /nfs/dbraw/zinc/12/45/40/790124540.db2.gz BAJXEUXAFFFQMS-RDJZCZTQSA-N 1 3 321.509 2.203 20 0 DEADHO C[C@H](C[C@H](C)[NH2+]CCF)NC(=O)c1cccc(CN(C)C)c1 ZINC001146585049 791309999 /nfs/dbraw/zinc/30/99/99/791309999.db2.gz WLNYXTYESQXIHS-UONOGXRCSA-N 1 3 309.429 2.204 20 0 DEADHO Cc1ccncc1C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146594785 791318301 /nfs/dbraw/zinc/31/83/01/791318301.db2.gz UWDXQIAFGWWBOL-CVEARBPZSA-N 1 3 320.481 2.103 20 0 DEADHO CC(C)[NH2+][C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001074880520 791365488 /nfs/dbraw/zinc/36/54/88/791365488.db2.gz DQGGWWAAVZIGRR-ZQIUZPCESA-N 1 3 313.461 2.186 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCNC/C=C\Cl ZINC001147359572 791516131 /nfs/dbraw/zinc/51/61/31/791516131.db2.gz SMWAQVZITHPAMH-QPBFKRLHSA-N 1 3 301.862 2.099 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1C(=O)NCCNC/C=C\Cl ZINC001147359572 791516135 /nfs/dbraw/zinc/51/61/35/791516135.db2.gz SMWAQVZITHPAMH-QPBFKRLHSA-N 1 3 301.862 2.099 20 0 DEADHO CC/C=C/CC[N@@H+]1CCC2(CN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001148292604 791730307 /nfs/dbraw/zinc/73/03/07/791730307.db2.gz MLOSQZUVLZRBRH-WAVCKPEOSA-N 1 3 307.482 2.217 20 0 DEADHO CC/C=C/CC[N@H+]1CCC2(CN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001148292604 791730313 /nfs/dbraw/zinc/73/03/13/791730313.db2.gz MLOSQZUVLZRBRH-WAVCKPEOSA-N 1 3 307.482 2.217 20 0 DEADHO CN(CC(=O)N1CC2(C1)CC[N@H+](CCC1CC1)C2)CC(C)(C)C ZINC001148315630 791736770 /nfs/dbraw/zinc/73/67/70/791736770.db2.gz RIJMIPJKEWLBKD-UHFFFAOYSA-N 1 3 321.509 2.299 20 0 DEADHO CN(CC(=O)N1CC2(C1)CC[N@@H+](CCC1CC1)C2)CC(C)(C)C ZINC001148315630 791736775 /nfs/dbraw/zinc/73/67/75/791736775.db2.gz RIJMIPJKEWLBKD-UHFFFAOYSA-N 1 3 321.509 2.299 20 0 DEADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+](CCCC(C)C)C2 ZINC001148469364 791751567 /nfs/dbraw/zinc/75/15/67/791751567.db2.gz HEYZTSNJHWGUFS-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+](CCCC(C)C)C2 ZINC001148469364 791751571 /nfs/dbraw/zinc/75/15/71/791751571.db2.gz HEYZTSNJHWGUFS-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+]C/C=C\c1ccc(Cl)cc1 ZINC001148642895 791780386 /nfs/dbraw/zinc/78/03/86/791780386.db2.gz PPVASUQFAXWKOE-PLNGDYQASA-N 1 3 323.868 2.401 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+]CCCCc1ccccc1 ZINC001148638830 791786715 /nfs/dbraw/zinc/78/67/15/791786715.db2.gz UCOYZUADPZRWDU-UHFFFAOYSA-N 1 3 305.466 2.057 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C[C@@H]1C)CC[NH+](CC1CC1)CC2)N(C)C ZINC001086943391 791858019 /nfs/dbraw/zinc/85/80/19/791858019.db2.gz SQQUMQJLHLDZHF-RDJZCZTQSA-N 1 3 321.509 2.440 20 0 DEADHO CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@]2(C)C1 ZINC001092071346 791928266 /nfs/dbraw/zinc/92/82/66/791928266.db2.gz RZFBXDNNPKLNTQ-RYRKJORJSA-N 1 3 307.482 2.050 20 0 DEADHO CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@]2(C)C1 ZINC001092071346 791928269 /nfs/dbraw/zinc/92/82/69/791928269.db2.gz RZFBXDNNPKLNTQ-RYRKJORJSA-N 1 3 307.482 2.050 20 0 DEADHO CC[N@@H+]1C[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@]2(C)C1 ZINC001092297970 791972429 /nfs/dbraw/zinc/97/24/29/791972429.db2.gz IELSIGSLLUXPSS-MJGOQNOKSA-N 1 3 315.461 2.162 20 0 DEADHO CC[N@H+]1C[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@]2(C)C1 ZINC001092297970 791972436 /nfs/dbraw/zinc/97/24/36/791972436.db2.gz IELSIGSLLUXPSS-MJGOQNOKSA-N 1 3 315.461 2.162 20 0 DEADHO CC(C)[N@H+]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC001093223839 792294919 /nfs/dbraw/zinc/29/49/19/792294919.db2.gz ICUGCBOSMBENPD-NVXWUHKLSA-N 1 3 317.477 2.454 20 0 DEADHO CC(C)[N@@H+]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC001093223839 792294927 /nfs/dbraw/zinc/29/49/27/792294927.db2.gz ICUGCBOSMBENPD-NVXWUHKLSA-N 1 3 317.477 2.454 20 0 DEADHO CC(C)=CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001100319293 792589453 /nfs/dbraw/zinc/58/94/53/792589453.db2.gz GIWXNIVXIFQMJF-JCYILVPMSA-N 1 3 307.482 2.310 20 0 DEADHO CC(C)(C(=O)NCC1CC([NH2+]CCCF)C1)N1CCCCC1 ZINC001100335412 792597461 /nfs/dbraw/zinc/59/74/61/792597461.db2.gz YXHRWLBXEDXFJH-UHFFFAOYSA-N 1 3 313.461 2.095 20 0 DEADHO CC(C)CCC[NH2+]C1CC(CNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001100408229 792633680 /nfs/dbraw/zinc/63/36/80/792633680.db2.gz YZQKWRJVRNBUHQ-PREGVCBESA-N 1 3 309.498 2.247 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC1CC([NH2+]Cc2ccsc2)C1 ZINC001100460079 792664742 /nfs/dbraw/zinc/66/47/42/792664742.db2.gz OHOQMGVRQVNUOO-UHFFFAOYSA-N 1 3 323.506 2.463 20 0 DEADHO CC(C)CCC[NH2+]C1CC(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001100678463 792783980 /nfs/dbraw/zinc/78/39/80/792783980.db2.gz LYMCLXICFZHXKE-GTPINHCMSA-N 1 3 309.498 2.249 20 0 DEADHO CN(CC(=O)N1C[C@H]2C[N@H+](CC3CC3)C[C@@]2(C)C1)CC(C)(C)C ZINC001101368758 793136487 /nfs/dbraw/zinc/13/64/87/793136487.db2.gz LPPZIHJLUSVYSJ-APWZRJJASA-N 1 3 321.509 2.155 20 0 DEADHO CN(CC(=O)N1C[C@H]2C[N@@H+](CC3CC3)C[C@@]2(C)C1)CC(C)(C)C ZINC001101368758 793136493 /nfs/dbraw/zinc/13/64/93/793136493.db2.gz LPPZIHJLUSVYSJ-APWZRJJASA-N 1 3 321.509 2.155 20 0 DEADHO CNC(=O)CCN(C)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984918 793287847 /nfs/dbraw/zinc/28/78/47/793287847.db2.gz QLBTWLGKXRGHBC-KRWDZBQOSA-N 1 3 317.477 2.498 20 0 DEADHO CNC(=O)CCN(C)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984918 793287852 /nfs/dbraw/zinc/28/78/52/793287852.db2.gz QLBTWLGKXRGHBC-KRWDZBQOSA-N 1 3 317.477 2.498 20 0 DEADHO C=CC(=O)NCCN[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984993 793288245 /nfs/dbraw/zinc/28/82/45/793288245.db2.gz ZPLWYJKMFQXWBE-KRWDZBQOSA-N 1 3 315.461 2.321 20 0 DEADHO C=CC(=O)NCCN[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984993 793288250 /nfs/dbraw/zinc/28/82/50/793288250.db2.gz ZPLWYJKMFQXWBE-KRWDZBQOSA-N 1 3 315.461 2.321 20 0 DEADHO CC1(C)C[C@@H](N2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)CO1 ZINC001172287225 793402753 /nfs/dbraw/zinc/40/27/53/793402753.db2.gz KCFRNRWFTPZBAJ-RCCFBDPRSA-N 1 3 322.493 2.377 20 0 DEADHO CC1(C)C[C@@H](N2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)CO1 ZINC001172287225 793402757 /nfs/dbraw/zinc/40/27/57/793402757.db2.gz KCFRNRWFTPZBAJ-RCCFBDPRSA-N 1 3 322.493 2.377 20 0 DEADHO CC1(C)C[C@@H]([N@@H+]2C[C@@H]3CN(CC4CCCC4)CCO[C@@H]3C2)CO1 ZINC001172287225 793402761 /nfs/dbraw/zinc/40/27/61/793402761.db2.gz KCFRNRWFTPZBAJ-RCCFBDPRSA-N 1 3 322.493 2.377 20 0 DEADHO CC1(C)C[C@@H]([N@H+]2C[C@@H]3CN(CC4CCCC4)CCO[C@@H]3C2)CO1 ZINC001172287225 793402765 /nfs/dbraw/zinc/40/27/65/793402765.db2.gz KCFRNRWFTPZBAJ-RCCFBDPRSA-N 1 3 322.493 2.377 20 0 DEADHO O=C1C[C@H]([NH2+]CCCN2CCCC2)CCN1Cc1ccccc1 ZINC001172661784 793466583 /nfs/dbraw/zinc/46/65/83/793466583.db2.gz PEWRJYSPIYFKIS-GOSISDBHSA-N 1 3 315.461 2.253 20 0 DEADHO O=C1C[C@H](NCCC[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC001172661784 793466588 /nfs/dbraw/zinc/46/65/88/793466588.db2.gz PEWRJYSPIYFKIS-GOSISDBHSA-N 1 3 315.461 2.253 20 0 DEADHO CC[NH+](CC)CCCN[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172661773 793466840 /nfs/dbraw/zinc/46/68/40/793466840.db2.gz OUWJENRFDIXFFW-GOSISDBHSA-N 1 3 317.477 2.499 20 0 DEADHO CC(C)=CC[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102066011 793492884 /nfs/dbraw/zinc/49/28/84/793492884.db2.gz BHZXJQBSNMZIPV-ZACQAIPSSA-N 1 3 309.498 2.223 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102066011 793492889 /nfs/dbraw/zinc/49/28/89/793492889.db2.gz BHZXJQBSNMZIPV-ZACQAIPSSA-N 1 3 309.498 2.223 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCCCCF)C[C@H]1C)N(C)C ZINC001102088161 793499854 /nfs/dbraw/zinc/49/98/54/793499854.db2.gz PMCHXXLHZKPAGK-BZUAXINKSA-N 1 3 315.477 2.151 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCCCCF)C[C@H]1C)N(C)C ZINC001102088161 793499860 /nfs/dbraw/zinc/49/98/60/793499860.db2.gz PMCHXXLHZKPAGK-BZUAXINKSA-N 1 3 315.477 2.151 20 0 DEADHO C[C@@H]1C[N@H+](CCC2CC2)C[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001102213705 793531385 /nfs/dbraw/zinc/53/13/85/793531385.db2.gz POVMQLKMAQTWHY-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001102213705 793531393 /nfs/dbraw/zinc/53/13/93/793531393.db2.gz POVMQLKMAQTWHY-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)CCC[N@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102600522 793668910 /nfs/dbraw/zinc/66/89/10/793668910.db2.gz IYPUPSPHVTZDFF-IAGOWNOFSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)CCC[N@@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102600522 793668912 /nfs/dbraw/zinc/66/89/12/793668912.db2.gz IYPUPSPHVTZDFF-IAGOWNOFSA-N 1 3 311.514 2.447 20 0 DEADHO [NH3+]C1(CC2CCC2)CCN([C@@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173741982 793831110 /nfs/dbraw/zinc/83/11/10/793831110.db2.gz JVMFAJPXGFJMDB-CVEARBPZSA-N 1 3 318.469 2.140 20 0 DEADHO CN1C(C)(C)CC([NH2+][C@@H]2CCC[C@@H](n3ncnn3)C2)CC1(C)C ZINC001173757879 793842063 /nfs/dbraw/zinc/84/20/63/793842063.db2.gz PRDWGURVEQGBRB-UKRRQHHQSA-N 1 3 320.485 2.398 20 0 DEADHO CC(C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001103438683 794091194 /nfs/dbraw/zinc/09/11/94/794091194.db2.gz WMFFLWAKRFMUGN-HZPDHXFCSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001103438683 794091200 /nfs/dbraw/zinc/09/12/00/794091200.db2.gz WMFFLWAKRFMUGN-HZPDHXFCSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@H](F)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103755574 794214072 /nfs/dbraw/zinc/21/40/72/794214072.db2.gz LTXYZXWNQJGRTF-OAGGEKHMSA-N 1 3 315.477 2.149 20 0 DEADHO CC[C@H](F)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103755574 794214075 /nfs/dbraw/zinc/21/40/75/794214075.db2.gz LTXYZXWNQJGRTF-OAGGEKHMSA-N 1 3 315.477 2.149 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC001103757395 794214412 /nfs/dbraw/zinc/21/44/12/794214412.db2.gz ZEDCZBXKLNLTQN-BRWVUGGUSA-N 1 3 309.498 2.343 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC001103757395 794214418 /nfs/dbraw/zinc/21/44/18/794214418.db2.gz ZEDCZBXKLNLTQN-BRWVUGGUSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C)C[NH2+]CC1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001206275203 794446284 /nfs/dbraw/zinc/44/62/84/794446284.db2.gz PTJICMZXWDSYJQ-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1ncc(C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C(C)C)o1 ZINC001176754173 794497538 /nfs/dbraw/zinc/49/75/38/794497538.db2.gz SKWRTONNPQYEBW-CQSZACIVSA-N 1 3 324.469 2.088 20 0 DEADHO CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001112425431 794630678 /nfs/dbraw/zinc/63/06/78/794630678.db2.gz MHKCNZACXZDZDG-JZXOWHBKSA-N 1 3 309.498 2.345 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CC2)C1 ZINC001112439424 794637502 /nfs/dbraw/zinc/63/75/02/794637502.db2.gz YYELXJGMKJNPAM-LPHOPBHVSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@@H](C(=O)N(CCC[NH2+]CCF)CC1CCCC1)N(C)C ZINC001177415950 794666203 /nfs/dbraw/zinc/66/62/03/794666203.db2.gz PILMURVUDWGFQQ-INIZCTEOSA-N 1 3 315.477 2.295 20 0 DEADHO CCC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1c[nH]cn1 ZINC001177431287 794674926 /nfs/dbraw/zinc/67/49/26/794674926.db2.gz RLHOLSDKNIGPGK-UHFFFAOYSA-N 1 3 306.454 2.361 20 0 DEADHO CC[S@](=O)CCNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001177850030 794764505 /nfs/dbraw/zinc/76/45/05/794764505.db2.gz MXOQPJTXLKWYSS-QFIPXVFZSA-N 1 3 324.490 2.019 20 0 DEADHO CN(CC(=O)NCCCCCC[NH2+]C/C=C/Cl)C1CCC1 ZINC001178705385 794982368 /nfs/dbraw/zinc/98/23/68/794982368.db2.gz ONGFQTODRDTKDW-JXMROGBWSA-N 1 3 315.889 2.489 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCCCCCC[NH2+]C/C=C\Cl ZINC001179580475 795145363 /nfs/dbraw/zinc/14/53/63/795145363.db2.gz HQZGYVJPABPTDO-VIHMKRCTSA-N 1 3 315.889 2.489 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+]CCC[C@@H]2CCOC2)CC1 ZINC001181797221 795541014 /nfs/dbraw/zinc/54/10/14/795541014.db2.gz UTTYSEOFIXXNEO-WWDZGPRUSA-N 1 3 310.482 2.426 20 0 DEADHO CN(C)[C@H](C(=O)NC1CC2(C1)CC([NH2+]CC1CCC1)C2)C1CC1 ZINC001121246060 795607106 /nfs/dbraw/zinc/60/71/06/795607106.db2.gz KRCVNYMZFFMXSU-RFSHTEQGSA-N 1 3 319.493 2.144 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CC2)C1)N(C)C ZINC001182517849 795697132 /nfs/dbraw/zinc/69/71/32/795697132.db2.gz YQZPFNHNILMMRO-QGPMSJSTSA-N 1 3 309.498 2.057 20 0 DEADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1CCCN1CC1CC1 ZINC001182559645 795705965 /nfs/dbraw/zinc/70/59/65/795705965.db2.gz VCBQMXUANSOMLR-RDJZCZTQSA-N 1 3 307.482 2.097 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCC2)C1 ZINC001182934478 795787261 /nfs/dbraw/zinc/78/72/61/795787261.db2.gz XQBMCHRMGUSZHB-CRAIPNDOSA-N 1 3 309.498 2.203 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1)C1CC1 ZINC001183266530 795841926 /nfs/dbraw/zinc/84/19/26/795841926.db2.gz CCQGIMLKLDLNDO-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CN(CCN(C)C(=O)CCCC[NH+](C)C)Cc1ccccc1 ZINC001184058505 795986100 /nfs/dbraw/zinc/98/61/00/795986100.db2.gz FQRRKAZUDNEDFO-UHFFFAOYSA-N 1 3 305.466 2.309 20 0 DEADHO C[NH+](C)CCC(=O)N1CC[C@@H](NCc2cc3ccccc3o2)C1 ZINC001185386081 796246492 /nfs/dbraw/zinc/24/64/92/796246492.db2.gz ZVCIZIPJDJWEKB-OAHLLOKOSA-N 1 3 315.417 2.075 20 0 DEADHO C[NH+](C)CCOc1ccc(CN2CC[C@@H]3CCO[C@H]3C2)cc1 ZINC001138769027 796271919 /nfs/dbraw/zinc/27/19/19/796271919.db2.gz IPPNZKFIGVVTJF-AEFFLSMTSA-N 1 3 304.434 2.238 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC=C(C)C)C12CCC2 ZINC001203650339 796467931 /nfs/dbraw/zinc/46/79/31/796467931.db2.gz GSQRGAKFKRTEIF-HZPDHXFCSA-N 1 3 307.482 2.311 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC=C(C)C)C12CCC2 ZINC001203650340 796468502 /nfs/dbraw/zinc/46/85/02/796468502.db2.gz GSQRGAKFKRTEIF-JKSUJKDBSA-N 1 3 307.482 2.311 20 0 DEADHO CN1CC2(C1)CC[NH+](Cc1ccccc1-c1cnc(N)nc1)CC2 ZINC001140325977 796506619 /nfs/dbraw/zinc/50/66/19/796506619.db2.gz YZOYVDXIAYKGNE-UHFFFAOYSA-N 1 3 323.444 2.253 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001187306105 796522071 /nfs/dbraw/zinc/52/20/71/796522071.db2.gz CWXILBKXZJPVCV-RHSMWYFYSA-N 1 3 321.440 2.419 20 0 DEADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c(C)c1 ZINC001188158524 796641372 /nfs/dbraw/zinc/64/13/72/796641372.db2.gz RVHDGMPRSVAAFA-GOSISDBHSA-N 1 3 317.477 2.334 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[C@@H]([NH2+]CC2CC2)C12CCC2 ZINC001203103644 796648796 /nfs/dbraw/zinc/64/87/96/796648796.db2.gz LYBPYMUZZQFERH-HUUCEWRRSA-N 1 3 307.482 2.144 20 0 DEADHO COCCN(Cc1cccc(N(C)C)c1)C1CC[NH+](C)CC1 ZINC001141264138 796655777 /nfs/dbraw/zinc/65/57/77/796655777.db2.gz WCSLIOOAYVWBBN-UHFFFAOYSA-N 1 3 305.466 2.295 20 0 DEADHO CCOC(=O)c1ccc(C[NH+]2CCC3(CN(C)C3)CC2)cc1 ZINC001142603827 796753151 /nfs/dbraw/zinc/75/31/51/796753151.db2.gz PPQBKESAJHBTAH-UHFFFAOYSA-N 1 3 302.418 2.391 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]Cc1ccc(F)cc1C ZINC001161226625 796816696 /nfs/dbraw/zinc/81/66/96/796816696.db2.gz LPNKXZHMUAGHRG-UHFFFAOYSA-N 1 3 323.456 2.460 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)CC=C(C)C)C2)CC[N@@H+]1C ZINC001190248192 796967632 /nfs/dbraw/zinc/96/76/32/796967632.db2.gz XZCNVZXHDISNRE-YESZJQIVSA-N 1 3 307.482 2.216 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)CC=C(C)C)C2)CC[N@H+]1C ZINC001190248192 796967636 /nfs/dbraw/zinc/96/76/36/796967636.db2.gz XZCNVZXHDISNRE-YESZJQIVSA-N 1 3 307.482 2.216 20 0 DEADHO O=C(CCC[NH+]1CCCCC1)NCCNCc1ccc(F)cc1 ZINC001151353928 797037518 /nfs/dbraw/zinc/03/75/18/797037518.db2.gz GIRZXQWYLORZLU-UHFFFAOYSA-N 1 3 321.440 2.298 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H]([N@H+](C)CCC(C)(C)C)C2)CCC1 ZINC001190645365 797047686 /nfs/dbraw/zinc/04/76/86/797047686.db2.gz SIYPSNWYPDGPLX-OAHLLOKOSA-N 1 3 309.498 2.440 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H]([N@@H+](C)CCC(C)(C)C)C2)CCC1 ZINC001190645365 797047694 /nfs/dbraw/zinc/04/76/94/797047694.db2.gz SIYPSNWYPDGPLX-OAHLLOKOSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCCC2CCC2)C1)N(C)C ZINC001192385488 797378006 /nfs/dbraw/zinc/37/80/06/797378006.db2.gz HTIXYCTURGSAOW-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCCC2CCC2)C1)N(C)C ZINC001192385488 797378013 /nfs/dbraw/zinc/37/80/13/797378013.db2.gz HTIXYCTURGSAOW-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)CCCCCF)C1 ZINC001192970568 797484209 /nfs/dbraw/zinc/48/42/09/797484209.db2.gz VPLDHBRTYJOYHI-OAHLLOKOSA-N 1 3 301.450 2.001 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)CCCCCF)C1 ZINC001192970568 797484212 /nfs/dbraw/zinc/48/42/12/797484212.db2.gz VPLDHBRTYJOYHI-OAHLLOKOSA-N 1 3 301.450 2.001 20 0 DEADHO CCCCC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193026196 797492635 /nfs/dbraw/zinc/49/26/35/797492635.db2.gz ISDWSCWHDQIXEC-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193026196 797492640 /nfs/dbraw/zinc/49/26/40/797492640.db2.gz ISDWSCWHDQIXEC-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001193621172 797594454 /nfs/dbraw/zinc/59/44/54/797594454.db2.gz DDHIMBYJHQUKMC-KRWDZBQOSA-N 1 3 307.482 2.361 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001193621172 797594458 /nfs/dbraw/zinc/59/44/58/797594458.db2.gz DDHIMBYJHQUKMC-KRWDZBQOSA-N 1 3 307.482 2.361 20 0 DEADHO CN(Cc1ccc(-n2cncc2C2CC[NH2+]CC2)nc1)C1CC1 ZINC001155064906 797673695 /nfs/dbraw/zinc/67/36/95/797673695.db2.gz WYRQZIGCQZKZJU-UHFFFAOYSA-N 1 3 311.433 2.329 20 0 DEADHO CCN(CC)CC(=O)N1CCC(C[NH2+]CC2CCCC2)CC1 ZINC001206653657 797702196 /nfs/dbraw/zinc/70/21/96/797702196.db2.gz LMJWYOCLRZZKIR-UHFFFAOYSA-N 1 3 309.498 2.347 20 0 DEADHO CCN(Cc1cccc(F)c1)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001156890856 798102736 /nfs/dbraw/zinc/10/27/36/798102736.db2.gz VAYXBOJQBKKNAR-ZBFHGGJFSA-N 1 3 321.440 2.104 20 0 DEADHO CCN(Cc1cccc(F)c1)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001156890856 798102739 /nfs/dbraw/zinc/10/27/39/798102739.db2.gz VAYXBOJQBKKNAR-ZBFHGGJFSA-N 1 3 321.440 2.104 20 0 DEADHO CCCC[NH+](CCCC)CCNc1cc2c(nn1)CCNC2 ZINC001156905737 798106214 /nfs/dbraw/zinc/10/62/14/798106214.db2.gz WRWHWTRDKAJPNS-UHFFFAOYSA-N 1 3 305.470 2.436 20 0 DEADHO CC/C=C/CC[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001197048620 798138383 /nfs/dbraw/zinc/13/83/83/798138383.db2.gz FVUZUTPVAIQKSD-IWAYRVGRSA-N 1 3 309.498 2.463 20 0 DEADHO CC/C=C/CC[N@H+]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001197048620 798138385 /nfs/dbraw/zinc/13/83/85/798138385.db2.gz FVUZUTPVAIQKSD-IWAYRVGRSA-N 1 3 309.498 2.463 20 0 DEADHO CCC/C=C/CCN1CCCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001197158739 798157438 /nfs/dbraw/zinc/15/74/38/798157438.db2.gz VJEVYLTXBDNICV-ZGKJDNBHSA-N 1 3 321.509 2.465 20 0 DEADHO CCC/C=C/CCN1CCCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001197158739 798157440 /nfs/dbraw/zinc/15/74/40/798157440.db2.gz VJEVYLTXBDNICV-ZGKJDNBHSA-N 1 3 321.509 2.465 20 0 DEADHO CC(C)c1cc(N2CCN(CC3CC[NH+](C)CC3)CC2)ncn1 ZINC001157838025 798290394 /nfs/dbraw/zinc/29/03/94/798290394.db2.gz OJCCXSJFSABSSU-UHFFFAOYSA-N 1 3 317.481 2.064 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]CC1CC2(CCC2)C1 ZINC001152457089 798343771 /nfs/dbraw/zinc/34/37/71/798343771.db2.gz BEPRRLQMKRYGEV-INIZCTEOSA-N 1 3 307.482 2.147 20 0 DEADHO Cc1c[nH+]ccc1N1CCN(c2cc(CN(C)C)ccn2)CC1 ZINC001158107639 798345093 /nfs/dbraw/zinc/34/50/93/798345093.db2.gz AANANBZBCNWKBV-UHFFFAOYSA-N 1 3 311.433 2.173 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)[C@H](C2CC2)N(C)C)c(C)c1 ZINC001159932225 798627892 /nfs/dbraw/zinc/62/78/92/798627892.db2.gz OVJQVBPEJSBVSH-SFHVURJKSA-N 1 3 317.477 2.240 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001160426418 798686509 /nfs/dbraw/zinc/68/65/09/798686509.db2.gz FLKZFCSXDYRKKF-INIZCTEOSA-N 1 3 309.498 2.249 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]C/C=C/Cl)CC1 ZINC001201313585 798739045 /nfs/dbraw/zinc/73/90/45/798739045.db2.gz FIKHXRPMWFUZQN-RMKNXTFCSA-N 1 3 301.862 2.050 20 0 DEADHO Cc1ccc2nc(N)n(-c3cc[nH+]c(N4CCN(C)CC4)c3)c2c1 ZINC001201650477 798785032 /nfs/dbraw/zinc/78/50/32/798785032.db2.gz BXINCKGMRREBFI-UHFFFAOYSA-N 1 3 322.416 2.063 20 0 DEADHO CN(CCN(C)C(=O)[C@]1(C)CC(C)(C)C[NH2+]1)Cc1ccccc1 ZINC001161159112 798803986 /nfs/dbraw/zinc/80/39/86/798803986.db2.gz UXXSMTZKCWYWSR-IBGZPJMESA-N 1 3 317.477 2.355 20 0 DEADHO C[NH+](C)CCCCNc1cncc([C@H]2CN3CCC2CC3)n1 ZINC001161728729 798925003 /nfs/dbraw/zinc/92/50/03/798925003.db2.gz RXCVKTQTINLPBZ-HNNXBMFYSA-N 1 3 303.454 2.040 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC1=CC[N@H+](CCC2CC2)CC1 ZINC001161785962 798936142 /nfs/dbraw/zinc/93/61/42/798936142.db2.gz WZHDWGDAHWZNIG-UHFFFAOYSA-N 1 3 316.449 2.199 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC1=CC[N@@H+](CCC2CC2)CC1 ZINC001161785962 798936145 /nfs/dbraw/zinc/93/61/45/798936145.db2.gz WZHDWGDAHWZNIG-UHFFFAOYSA-N 1 3 316.449 2.199 20 0 DEADHO CC/C=C\CC[NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001202495295 798979453 /nfs/dbraw/zinc/97/94/53/798979453.db2.gz CRIUQYQKRAXFEQ-AWFCHZOYSA-N 1 3 307.482 2.265 20 0 DEADHO CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)N(C)CC)C2 ZINC001110736788 798998927 /nfs/dbraw/zinc/99/89/27/798998927.db2.gz NJNIZFCOJLYNID-FPCVCCKLSA-N 1 3 309.498 2.484 20 0 DEADHO CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)N(C)CC)C2 ZINC001110736788 798998933 /nfs/dbraw/zinc/99/89/33/798998933.db2.gz NJNIZFCOJLYNID-FPCVCCKLSA-N 1 3 309.498 2.484 20 0 DEADHO CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)N(C)C ZINC001114442149 799113094 /nfs/dbraw/zinc/11/30/94/799113094.db2.gz BDLYVKXVSBSNJA-HZMVEIRTSA-N 1 3 309.498 2.199 20 0 DEADHO CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)N(C)C ZINC001114442149 799113099 /nfs/dbraw/zinc/11/30/99/799113099.db2.gz BDLYVKXVSBSNJA-HZMVEIRTSA-N 1 3 309.498 2.199 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC(C)C)C[C@H]21 ZINC001114488922 799148075 /nfs/dbraw/zinc/14/80/75/799148075.db2.gz VLWXHMGXPLOOKJ-ZSHCYNCHSA-N 1 3 309.498 2.199 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC(C)C)C[C@H]21 ZINC001114488922 799148077 /nfs/dbraw/zinc/14/80/77/799148077.db2.gz VLWXHMGXPLOOKJ-ZSHCYNCHSA-N 1 3 309.498 2.199 20 0 DEADHO CC[NH2+]CCN(CCc1ccccc1)C(=O)CN1CCC[C@@H]1C ZINC001162928330 799203385 /nfs/dbraw/zinc/20/33/85/799203385.db2.gz GJHFUGQECBKQTL-KRWDZBQOSA-N 1 3 317.477 2.152 20 0 DEADHO Cc1nc(NC2CC3(C2)CCC[NH2+]C3)cc(N2CCCC2)n1 ZINC001162981189 799213744 /nfs/dbraw/zinc/21/37/44/799213744.db2.gz STSQJXLBCLHARU-UHFFFAOYSA-N 1 3 301.438 2.329 20 0 DEADHO CC[NH+](CC)CCNC(=N)Nc1ccc(-c2cccs2)nn1 ZINC001163129060 799252995 /nfs/dbraw/zinc/25/29/95/799252995.db2.gz TZQRQNVMMVECRK-UHFFFAOYSA-N 1 3 318.450 2.483 20 0 DEADHO CCN(CC)CCNC(=[NH2+])Nc1nnc(Cl)c2c1CCCC2 ZINC001163126413 799253391 /nfs/dbraw/zinc/25/33/91/799253391.db2.gz RHRKITSIPYFFHP-UHFFFAOYSA-N 1 3 324.860 2.287 20 0 DEADHO CN(C)Cc1ccnc(N2CC[NH2+][C@H](Cc3ccccc3)C2)c1 ZINC001164626376 799635485 /nfs/dbraw/zinc/63/54/85/799635485.db2.gz LOPGZSSBRCIOPX-GOSISDBHSA-N 1 3 310.445 2.164 20 0 DEADHO C[C@H]1CN(c2cc(C[NH3+])ncn2)[C@@H](C)CN1Cc1ccccc1 ZINC001165200038 799671058 /nfs/dbraw/zinc/67/10/58/799671058.db2.gz AAWMMIBOGXNXJR-GJZGRUSLSA-N 1 3 311.433 2.035 20 0 DEADHO C[C@@H]1CN(c2cc(C[NH3+])ncn2)[C@@H](C)CN1Cc1ccccc1 ZINC001165200037 799671712 /nfs/dbraw/zinc/67/17/12/799671712.db2.gz AAWMMIBOGXNXJR-CABCVRRESA-N 1 3 311.433 2.035 20 0 DEADHO CC[C@@H](C)C[NH2+]CC1(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001165465165 799734405 /nfs/dbraw/zinc/73/44/05/799734405.db2.gz VKOZWJKSHTXEQL-OAHLLOKOSA-N 1 3 309.498 2.393 20 0 DEADHO CN(C)C1(C(=O)NCCC2(C[NH2+]CCC3CC3)CC2)CCC1 ZINC001165464854 799734714 /nfs/dbraw/zinc/73/47/14/799734714.db2.gz NCAPMDWLUBTUOL-UHFFFAOYSA-N 1 3 307.482 2.147 20 0 DEADHO C[NH+](C)CCC(=O)NCCCNCc1c(F)cccc1Cl ZINC001165781251 799773818 /nfs/dbraw/zinc/77/38/18/799773818.db2.gz MWICGGVNZHQVPN-UHFFFAOYSA-N 1 3 315.820 2.027 20 0 DEADHO Cc1ccc(C)c(C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001166004352 799811015 /nfs/dbraw/zinc/81/10/15/799811015.db2.gz MTTQTRGZAFCASW-GOSISDBHSA-N 1 3 319.493 2.486 20 0 DEADHO C[C@@H]([NH2+]CCCNC(=O)CN1CC[C@@H](C)C1)c1cccc(F)c1 ZINC001166677575 799918572 /nfs/dbraw/zinc/91/85/72/799918572.db2.gz KHUQCHQVOFIKGH-HUUCEWRRSA-N 1 3 321.440 2.324 20 0 DEADHO C[C@H]([NH2+]CCCNC(=O)CN1CC[C@H](C)C1)c1ccccc1F ZINC001166676950 799918596 /nfs/dbraw/zinc/91/85/96/799918596.db2.gz FCBRXMRXNFMLBS-GJZGRUSLSA-N 1 3 321.440 2.324 20 0 DEADHO CC1(C)CCN(CC(=O)NCCC[NH2+]CCC2CCCC2)C1 ZINC001166736958 799936513 /nfs/dbraw/zinc/93/65/13/799936513.db2.gz XFUYGCNZMJMBMA-UHFFFAOYSA-N 1 3 309.498 2.395 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)c1cccc(OC)c1)N(C)C ZINC001166852553 799965286 /nfs/dbraw/zinc/96/52/86/799965286.db2.gz SUFWHALIRSMUNM-YOEHRIQHSA-N 1 3 321.465 2.192 20 0 DEADHO CC(C)[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C12CCC2 ZINC001203425539 800045368 /nfs/dbraw/zinc/04/53/68/800045368.db2.gz CLEGZSDQEMFUQC-HUUCEWRRSA-N 1 3 309.498 2.390 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1C[C@H]([NH2+]CCC2CC2)C12CCC2 ZINC001203521458 800070081 /nfs/dbraw/zinc/07/00/81/800070081.db2.gz JGACODFQWRWYFP-JKSUJKDBSA-N 1 3 307.482 2.145 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]([NH2+]C/C=C\Cl)C12CCC2 ZINC001203651325 800101079 /nfs/dbraw/zinc/10/10/79/800101079.db2.gz MWRYFVJTGUNTKQ-UIKBEFBESA-N 1 3 313.873 2.098 20 0 DEADHO CCCOc1cc(F)ccc1CN1CCC[C@](O)(C[NH3+])CC1 ZINC001205247101 800329211 /nfs/dbraw/zinc/32/92/11/800329211.db2.gz ATGNXRCCEMVUPP-QGZVFWFLSA-N 1 3 310.413 2.290 20 0 DEADHO CC(C)Oc1cc(F)ccc1CN1CCC[C@](O)(C[NH3+])CC1 ZINC001205254739 800332058 /nfs/dbraw/zinc/33/20/58/800332058.db2.gz ATPSXVQPVFPVRO-QGZVFWFLSA-N 1 3 310.413 2.289 20 0 DEADHO CCOC(=O)c1ccc(CCC[N@@H+]2CCNCC[C@H]2C)cc1 ZINC001205325624 800343520 /nfs/dbraw/zinc/34/35/20/800343520.db2.gz PXDUBBFEABHMCZ-OAHLLOKOSA-N 1 3 304.434 2.480 20 0 DEADHO CCOC(=O)c1ccc(CCC[N@H+]2CCNCC[C@H]2C)cc1 ZINC001205325624 800343528 /nfs/dbraw/zinc/34/35/28/800343528.db2.gz PXDUBBFEABHMCZ-OAHLLOKOSA-N 1 3 304.434 2.480 20 0 DEADHO CC(C)=CC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001205490518 800363001 /nfs/dbraw/zinc/36/30/01/800363001.db2.gz KLMWWQXNVVOMOA-KRWDZBQOSA-N 1 3 309.498 2.367 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC(C[NH2+]CC2CCC2)CC1 ZINC001205548661 800374334 /nfs/dbraw/zinc/37/43/34/800374334.db2.gz GXDOQPQQZRQAIU-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO [NH3+]C[C@H]1CCCCN(CCOCCOCc2ccccc2)C1 ZINC001206607164 800563419 /nfs/dbraw/zinc/56/34/19/800563419.db2.gz WSBAWMCPMOVSEF-GOSISDBHSA-N 1 3 306.450 2.281 20 0 DEADHO [NH3+]C[C@@H]1CCCCN(Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC001206616827 800566029 /nfs/dbraw/zinc/56/60/29/800566029.db2.gz QWEHQMIDQDHRSV-KRWDZBQOSA-N 1 3 315.461 2.483 20 0 DEADHO CCOC(=O)c1cc2c(s1)CCN(CC1CC[NH2+]CC1)C2 ZINC001207437697 800752649 /nfs/dbraw/zinc/75/26/49/800752649.db2.gz OYRBLGIRMAHVPK-UHFFFAOYSA-N 1 3 308.447 2.283 20 0 DEADHO c1coc(C[N@H+]2C[C@@H]3C[C@@H](CN(C[C@H]4CCCOC4)C3)C2)c1 ZINC001207469991 800760957 /nfs/dbraw/zinc/76/09/57/800760957.db2.gz WYWCQLYKRYRJEK-ZACQAIPSSA-N 1 3 304.434 2.460 20 0 DEADHO c1coc(C[N@@H+]2C[C@@H]3C[C@@H](CN(C[C@H]4CCCOC4)C3)C2)c1 ZINC001207469991 800760968 /nfs/dbraw/zinc/76/09/68/800760968.db2.gz WYWCQLYKRYRJEK-ZACQAIPSSA-N 1 3 304.434 2.460 20 0 DEADHO COC(=O)CC[N@H+](CCCN(C)C)CCc1ccc(F)cc1 ZINC001207514017 800771194 /nfs/dbraw/zinc/77/11/94/800771194.db2.gz VSMSJEDODHEPFG-UHFFFAOYSA-N 1 3 310.413 2.185 20 0 DEADHO COC(=O)CC[N@@H+](CCCN(C)C)CCc1ccc(F)cc1 ZINC001207514017 800771197 /nfs/dbraw/zinc/77/11/97/800771197.db2.gz VSMSJEDODHEPFG-UHFFFAOYSA-N 1 3 310.413 2.185 20 0 DEADHO CC(C)(C(=O)N1CCC[C@@H]([NH2+]CCCF)C1)N1CCCCC1 ZINC001208048688 800901044 /nfs/dbraw/zinc/90/10/44/800901044.db2.gz JUEKLJGIVDRQJO-OAHLLOKOSA-N 1 3 313.461 2.191 20 0 DEADHO CCOC[C@@H]1CN(CC2(C)CC[NH+](C)CC2)Cc2cn(C)nc21 ZINC001208109312 800914438 /nfs/dbraw/zinc/91/44/38/800914438.db2.gz ITSDAJRGEGZWOQ-INIZCTEOSA-N 1 3 320.481 2.088 20 0 DEADHO CCC(CC)C[NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208330686 800956440 /nfs/dbraw/zinc/95/64/40/800956440.db2.gz CNNWZWKIDVKARB-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208330687 800956668 /nfs/dbraw/zinc/95/66/68/800956668.db2.gz CNNWZWKIDVKARB-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO C[N@@H+]1CCC[C@H](CN2CCC3(CC2)OC(=O)c2ccccc23)C1 ZINC001208610143 801030445 /nfs/dbraw/zinc/03/04/45/801030445.db2.gz YWOLBRBYMAOILU-HNNXBMFYSA-N 1 3 314.429 2.490 20 0 DEADHO C[N@H+]1CCC[C@H](CN2CCC3(CC2)OC(=O)c2ccccc23)C1 ZINC001208610143 801030448 /nfs/dbraw/zinc/03/04/48/801030448.db2.gz YWOLBRBYMAOILU-HNNXBMFYSA-N 1 3 314.429 2.490 20 0 DEADHO COC(=O)[C@H](C)C[N@@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001208723143 801054374 /nfs/dbraw/zinc/05/43/74/801054374.db2.gz MKHKKZXGRNZJED-BPQIPLTHSA-N 1 3 316.445 2.249 20 0 DEADHO COC(=O)[C@H](C)C[N@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001208723143 801054379 /nfs/dbraw/zinc/05/43/79/801054379.db2.gz MKHKKZXGRNZJED-BPQIPLTHSA-N 1 3 316.445 2.249 20 0 DEADHO COCC[NH+](CCOC)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001208947686 801100550 /nfs/dbraw/zinc/10/05/50/801100550.db2.gz LVRMNOGRDSZKHN-SFHVURJKSA-N 1 3 306.450 2.103 20 0 DEADHO COCC[NH+](CCOC)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001208947684 801101213 /nfs/dbraw/zinc/10/12/13/801101213.db2.gz LVRMNOGRDSZKHN-GOSISDBHSA-N 1 3 306.450 2.103 20 0 DEADHO CCNC(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001208956539 801102470 /nfs/dbraw/zinc/10/24/70/801102470.db2.gz BEPZUGBKOLKDPJ-MSOLQXFVSA-N 1 3 315.461 2.109 20 0 DEADHO CCNC(=O)[C@@H]1CCC[N@H+]1C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001208956539 801102474 /nfs/dbraw/zinc/10/24/74/801102474.db2.gz BEPZUGBKOLKDPJ-MSOLQXFVSA-N 1 3 315.461 2.109 20 0 DEADHO C[N@@H+]1CC[C@@]2(CCN(CCCCNC(=O)OC(C)(C)C)C2)C1 ZINC001209366947 801176554 /nfs/dbraw/zinc/17/65/54/801176554.db2.gz GMNLCUVQWAKALZ-QGZVFWFLSA-N 1 3 311.470 2.319 20 0 DEADHO C[N@H+]1CC[C@@]2(CCN(CCCCNC(=O)OC(C)(C)C)C2)C1 ZINC001209366947 801176556 /nfs/dbraw/zinc/17/65/56/801176556.db2.gz GMNLCUVQWAKALZ-QGZVFWFLSA-N 1 3 311.470 2.319 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001210221308 801354867 /nfs/dbraw/zinc/35/48/67/801354867.db2.gz ZLNXSFUVKXOYPV-OAHLLOKOSA-N 1 3 309.479 2.171 20 0 DEADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCCC1CCC1 ZINC001214855825 801766654 /nfs/dbraw/zinc/76/66/54/801766654.db2.gz ORJWYMUPXKLGEC-ZTFGCOKTSA-N 1 3 321.509 2.343 20 0 DEADHO CN(C)Cc1cc(F)cc(CN2CCC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC001232146617 801801521 /nfs/dbraw/zinc/80/15/21/801801521.db2.gz VYTDCDRVOHIVJW-FUHWJXTLSA-N 1 3 305.441 2.413 20 0 DEADHO CN(C)Cc1cc(F)cc(CN2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC001232146617 801801529 /nfs/dbraw/zinc/80/15/29/801801529.db2.gz VYTDCDRVOHIVJW-FUHWJXTLSA-N 1 3 305.441 2.413 20 0 DEADHO CC/C=C/CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001215536924 801873265 /nfs/dbraw/zinc/87/32/65/801873265.db2.gz ZWVDYRGKHGATDH-AQGROHODSA-N 1 3 307.482 2.264 20 0 DEADHO C[C@@H]([NH3+])c1ccc(-c2nc(-c3ccc4c(n3)CCNC4)no2)cc1 ZINC001216963159 802039584 /nfs/dbraw/zinc/03/95/84/802039584.db2.gz WOAGTRJTVAYWIH-LLVKDONJSA-N 1 3 321.384 2.464 20 0 DEADHO c1ccc2c(c1)CNC[C@@H]2Oc1cccc(N2CC[NH2+]CC2)c1 ZINC001218491025 802189818 /nfs/dbraw/zinc/18/98/18/802189818.db2.gz TYQYEMUOEKODDS-IBGZPJMESA-N 1 3 309.413 2.320 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cccc(C(F)(F)F)n1 ZINC001218540105 802200479 /nfs/dbraw/zinc/20/04/79/802200479.db2.gz UEZGTDDUYOVWBY-JTQLQIEISA-N 1 3 318.343 2.098 20 0 DEADHO CC(C)[NH+]1CCC(CN(C)Cc2ccc3c(n2)OCCO3)CC1 ZINC001233876660 802232995 /nfs/dbraw/zinc/23/29/95/802232995.db2.gz IGHJUQUGUMOSQL-UHFFFAOYSA-N 1 3 319.449 2.405 20 0 DEADHO N[C@H](CCC[NH3+])C(=O)Nc1cc(-c2ccccc2)cc(Cl)n1 ZINC001218742094 802234738 /nfs/dbraw/zinc/23/47/38/802234738.db2.gz DAQIFXUWOCODOG-CYBMUJFWSA-N 1 3 318.808 2.407 20 0 DEADHO Cc1cc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC001218896971 802255174 /nfs/dbraw/zinc/25/51/74/802255174.db2.gz DTZMJBHAJXUHDE-ZDUSSCGKSA-N 1 3 315.339 2.279 20 0 DEADHO N[C@@H](C(=O)Nc1ccc2sc(Cl)nc2c1)C1CC[NH2+]CC1 ZINC001218902355 802256627 /nfs/dbraw/zinc/25/66/27/802256627.db2.gz UHPDETLNANBRBA-GFCCVEGCSA-N 1 3 324.837 2.215 20 0 DEADHO COc1cc(C(F)(F)F)ccc1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001218935281 802261709 /nfs/dbraw/zinc/26/17/09/802261709.db2.gz CJXCCFRVHALSSC-JTQLQIEISA-N 1 3 319.327 2.109 20 0 DEADHO CCCCOc1c(NC(=O)[C@@H](N)CCC[NH3+])ccc(F)c1F ZINC001218960942 802266681 /nfs/dbraw/zinc/26/66/81/802266681.db2.gz ZWBYTIPKUXDKRP-NSHDSACASA-N 1 3 315.364 2.148 20 0 DEADHO N[C@@]1(C(=O)Nc2ccc(C[NH3+])cc2)CCc2cc(F)ccc2C1 ZINC001219347012 802313977 /nfs/dbraw/zinc/31/39/77/802313977.db2.gz BZYNEAURXUCMOL-SFHVURJKSA-N 1 3 313.376 2.109 20 0 DEADHO O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)c1csc2c1CCNC2 ZINC001220167007 802418021 /nfs/dbraw/zinc/41/80/21/802418021.db2.gz JJGXLLIMPRYNKY-PXAZEXFGSA-N 1 3 319.474 2.046 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)N[C@@H](c1ccccc1F)C1CC1 ZINC001220594941 802477572 /nfs/dbraw/zinc/47/75/72/802477572.db2.gz SSPNCTRGLXMGKJ-DLBZAZTESA-N 1 3 321.440 2.452 20 0 DEADHO c1ccc2c(c1)OC[C@@H](CN1CCC([C@@H]3CCC[NH2+]3)CC1)O2 ZINC000316305415 802506490 /nfs/dbraw/zinc/50/64/90/802506490.db2.gz WOPFFBOMGWUEQD-CVEARBPZSA-N 1 3 302.418 2.290 20 0 DEADHO Cc1ccccc1CC(C)(C)CNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001221159199 802533642 /nfs/dbraw/zinc/53/36/42/802533642.db2.gz FSMUUMFEMCAEMV-KRWDZBQOSA-N 1 3 317.477 2.007 20 0 DEADHO c1cc2n(c1CN1CCCC[C@]3(CCCC[NH2+]C3)C1)CCNC2 ZINC001222168132 802650670 /nfs/dbraw/zinc/65/06/70/802650670.db2.gz VGUIOHNIHSIBHX-IBGZPJMESA-N 1 3 316.493 2.337 20 0 DEADHO CC(C)(CCN1CCN[C@H]2CC[NH2+]CC[C@@H]21)c1ccccc1 ZINC001222491759 802693853 /nfs/dbraw/zinc/69/38/53/802693853.db2.gz HWMKLZMMSVFTOG-ROUUACIJSA-N 1 3 301.478 2.380 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](CCCF)CC(C)(C)C1 ZINC001368831844 1148697393 /nfs/dbraw/zinc/69/73/93/1148697393.db2.gz JJTJBKKLVUKKQU-OAHLLOKOSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](CCCF)CC(C)(C)C1 ZINC001368831844 1148697394 /nfs/dbraw/zinc/69/73/94/1148697394.db2.gz JJTJBKKLVUKKQU-OAHLLOKOSA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@H](F)C[NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001417810332 1167229204 /nfs/dbraw/zinc/22/92/04/1167229204.db2.gz UWIWQTCDHYKVSH-SOUVJXGZSA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1CCC1CC1)N(C)C ZINC001418166430 1167454861 /nfs/dbraw/zinc/45/48/61/1167454861.db2.gz WFUPGEPVSLRPHV-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](CCC[NH2+]CC1CCCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001330917516 1149332402 /nfs/dbraw/zinc/33/24/02/1149332402.db2.gz QNXAWEZZSLHZNK-JKSUJKDBSA-N 1 3 309.498 2.393 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@@H]([NH2+]C/C=C\Cl)C2)CCC1 ZINC001418356898 1167594345 /nfs/dbraw/zinc/59/43/45/1167594345.db2.gz AQINBHMRDJCSQY-BCSJQMDCSA-N 1 3 313.873 2.240 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC(C)C)C1 ZINC001419560945 1168599453 /nfs/dbraw/zinc/59/94/53/1168599453.db2.gz AULZBIPZCMOMSY-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccsc1 ZINC001420619767 1169833033 /nfs/dbraw/zinc/83/30/33/1169833033.db2.gz MJLCBNMIROCSIU-HNNXBMFYSA-N 1 3 309.479 2.028 20 0 DEADHO CCCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccsc1 ZINC001420619767 1169833036 /nfs/dbraw/zinc/83/30/36/1169833036.db2.gz MJLCBNMIROCSIU-HNNXBMFYSA-N 1 3 309.479 2.028 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1)N(C)C ZINC001368351244 1148421621 /nfs/dbraw/zinc/42/16/21/1148421621.db2.gz WVINPROLQUFGJU-KZNAEPCWSA-N 1 3 323.525 2.495 20 0 DEADHO CN(CC(=O)N1CC[C@@H](C[N@H+](C)C/C=C\Cl)C1)C1CCC1 ZINC001404581328 1163721496 /nfs/dbraw/zinc/72/14/96/1163721496.db2.gz SVANZHKTNORQCN-VCDPDADVSA-N 1 3 313.873 2.004 20 0 DEADHO CN(CC(=O)N1CC[C@@H](C[N@@H+](C)C/C=C\Cl)C1)C1CCC1 ZINC001404581328 1163721500 /nfs/dbraw/zinc/72/15/00/1163721500.db2.gz SVANZHKTNORQCN-VCDPDADVSA-N 1 3 313.873 2.004 20 0 DEADHO CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+]2C[C@@H]3CCC[C@]3(N)C2)C1 ZINC001575188063 1069389982 /nfs/dbraw/zinc/38/99/82/1069389982.db2.gz WCFCXJNHVGDDSK-VKJFTORMSA-N 1 3 323.481 2.447 20 0 DEADHO CC(C)(C)OC(=O)N1CCC[C@H](C[N@H+]2C[C@@H]3CCC[C@]3(N)C2)C1 ZINC001575188063 1069389984 /nfs/dbraw/zinc/38/99/84/1069389984.db2.gz WCFCXJNHVGDDSK-VKJFTORMSA-N 1 3 323.481 2.447 20 0 DEADHO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]CC2(CN)CCC2)C1(C)C ZINC001575212135 1069393505 /nfs/dbraw/zinc/39/35/05/1069393505.db2.gz FYKBDRVIQQYFSO-STQMWFEESA-N 1 3 311.470 2.397 20 0 DEADHO O=C(CCC[NH+]1CCCC1)NCC1(NC/C=C/Cl)CCC1 ZINC001368494805 1148467055 /nfs/dbraw/zinc/46/70/55/1148467055.db2.gz GPOOZHHZHZDHNH-WEVVVXLNSA-N 1 3 313.873 2.243 20 0 DEADHO C[C@H](c1cccc(-c2nnn[n-]2)c1)[N@H+](C)CC1CC[NH+](C)CC1 ZINC001603733068 1070065596 /nfs/dbraw/zinc/06/55/96/1070065596.db2.gz UHDHISGGUAOGHT-CYBMUJFWSA-N 1 3 314.437 2.201 20 0 DEADHO C[C@H](c1cccc(-c2nnn[n-]2)c1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001603733068 1070065612 /nfs/dbraw/zinc/06/56/12/1070065612.db2.gz UHDHISGGUAOGHT-CYBMUJFWSA-N 1 3 314.437 2.201 20 0 DEADHO C[C@H](c1cccc(-c2nn[n-]n2)c1)[N@H+](C)CC1CC[NH+](C)CC1 ZINC001603733068 1070065626 /nfs/dbraw/zinc/06/56/26/1070065626.db2.gz UHDHISGGUAOGHT-CYBMUJFWSA-N 1 3 314.437 2.201 20 0 DEADHO C[C@H](c1cccc(-c2nn[n-]n2)c1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001603733068 1070065637 /nfs/dbraw/zinc/06/56/37/1070065637.db2.gz UHDHISGGUAOGHT-CYBMUJFWSA-N 1 3 314.437 2.201 20 0 DEADHO Cc1cc(C[N@@H+](C)CCCN(C)C(=O)[C@H]2CCCN2C)cs1 ZINC001368520560 1148476018 /nfs/dbraw/zinc/47/60/18/1148476018.db2.gz BYJHTZRAVPZBDS-MRXNPFEDSA-N 1 3 323.506 2.431 20 0 DEADHO Cc1cc(C[N@H+](C)CCCN(C)C(=O)[C@H]2CCCN2C)cs1 ZINC001368520560 1148476023 /nfs/dbraw/zinc/47/60/23/1148476023.db2.gz BYJHTZRAVPZBDS-MRXNPFEDSA-N 1 3 323.506 2.431 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CCC[N@H+](CC[C@H](C)F)CC1 ZINC001368527953 1148479292 /nfs/dbraw/zinc/47/92/92/1148479292.db2.gz VPUJQQMGKVMZHI-GJZGRUSLSA-N 1 3 301.450 2.047 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CCC[N@@H+](CC[C@H](C)F)CC1 ZINC001368527953 1148479295 /nfs/dbraw/zinc/47/92/95/1148479295.db2.gz VPUJQQMGKVMZHI-GJZGRUSLSA-N 1 3 301.450 2.047 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CCC[N@H+](CC[C@@H](C)F)CC1 ZINC001368527946 1148479574 /nfs/dbraw/zinc/47/95/74/1148479574.db2.gz VPUJQQMGKVMZHI-CABCVRRESA-N 1 3 301.450 2.047 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CCC[N@@H+](CC[C@@H](C)F)CC1 ZINC001368527946 1148479578 /nfs/dbraw/zinc/47/95/78/1148479578.db2.gz VPUJQQMGKVMZHI-CABCVRRESA-N 1 3 301.450 2.047 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC=CC12CCCC2 ZINC001527705870 1070529314 /nfs/dbraw/zinc/52/93/14/1070529314.db2.gz BMFBXBODVMCWBH-INIZCTEOSA-N 1 3 322.497 2.153 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC=CC12CCCC2 ZINC001527705870 1070529321 /nfs/dbraw/zinc/52/93/21/1070529321.db2.gz BMFBXBODVMCWBH-INIZCTEOSA-N 1 3 322.497 2.153 20 0 DEADHO CN(CCC[N@@H+](C)Cc1ccccc1)C(=O)[C@@H]1CCCCN1C ZINC001368551352 1148490024 /nfs/dbraw/zinc/49/00/24/1148490024.db2.gz DIYHOILCTGHTRF-SFHVURJKSA-N 1 3 317.477 2.451 20 0 DEADHO CN(CCC[N@H+](C)Cc1ccccc1)C(=O)[C@@H]1CCCCN1C ZINC001368551352 1148490022 /nfs/dbraw/zinc/49/00/22/1148490022.db2.gz DIYHOILCTGHTRF-SFHVURJKSA-N 1 3 317.477 2.451 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001499944315 1058391390 /nfs/dbraw/zinc/39/13/90/1058391390.db2.gz NPLIDROQHZIUTI-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CCN(CC)CC[C@@H](C)[NH2+]C1CCC2(CS(=O)(=O)C2)CC1 ZINC001462676554 1058882797 /nfs/dbraw/zinc/88/27/97/1058882797.db2.gz YAKLHUHSGLQFMK-CQSZACIVSA-N 1 3 316.511 2.054 20 0 DEADHO Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)[C@H]2CCCN2C)cc1 ZINC001502167262 1060024585 /nfs/dbraw/zinc/02/45/85/1060024585.db2.gz TWOQEXXMGRVXGW-GOSISDBHSA-N 1 3 317.477 2.370 20 0 DEADHO Cc1ccc(C[N@H+](C)CCCN(C)C(=O)[C@H]2CCCN2C)cc1 ZINC001502167262 1060024606 /nfs/dbraw/zinc/02/46/06/1060024606.db2.gz TWOQEXXMGRVXGW-GOSISDBHSA-N 1 3 317.477 2.370 20 0 DEADHO CCC1([NH2+]CCCF)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001502505878 1060157029 /nfs/dbraw/zinc/15/70/29/1060157029.db2.gz BVAHGHSXNMVHQL-OAHLLOKOSA-N 1 3 315.477 2.293 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001505737182 1060917715 /nfs/dbraw/zinc/91/77/15/1060917715.db2.gz BHTNQBXQAOIBJD-VXGBXAGGSA-N 1 3 306.454 2.180 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CC1CCC1 ZINC001506014494 1061270325 /nfs/dbraw/zinc/27/03/25/1061270325.db2.gz BPYXDQAUEXDKQN-RDJZCZTQSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CC1CCC1 ZINC001506014494 1061270343 /nfs/dbraw/zinc/27/03/43/1061270343.db2.gz BPYXDQAUEXDKQN-RDJZCZTQSA-N 1 3 309.498 2.486 20 0 DEADHO CN(C[C@@H]1CCN1CCCCCF)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001479260151 1061339833 /nfs/dbraw/zinc/33/98/33/1061339833.db2.gz GRQPSFRSUSELFB-HOTGVXAUSA-N 1 3 313.461 2.001 20 0 DEADHO CN(C[C@@H]1CCN1CCCCCF)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001479260151 1061339855 /nfs/dbraw/zinc/33/98/55/1061339855.db2.gz GRQPSFRSUSELFB-HOTGVXAUSA-N 1 3 313.461 2.001 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC[C@H](C)F ZINC001479587035 1061511221 /nfs/dbraw/zinc/51/12/21/1061511221.db2.gz WPEMLRZFPUPFGY-PMPSAXMXSA-N 1 3 315.477 2.291 20 0 DEADHO CC[C@H](F)C[NH2+]CC1(NC(=O)CN(C)C(C)C)CCCCC1 ZINC001506533698 1062093560 /nfs/dbraw/zinc/09/35/60/1062093560.db2.gz VKJLCNNUGZSTAL-HNNXBMFYSA-N 1 3 315.477 2.483 20 0 DEADHO CC[C@H](F)C[NH+]1CCC2(C[C@H]2NC(=O)CN(C)C(C)C)CC1 ZINC001479988431 1062148854 /nfs/dbraw/zinc/14/88/54/1062148854.db2.gz PPCCOXPPAQJQTI-LSDHHAIUSA-N 1 3 313.461 2.045 20 0 DEADHO CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C(C)C)N1CCCC1 ZINC001506580504 1062154113 /nfs/dbraw/zinc/15/41/13/1062154113.db2.gz GZKDHIPRGGLBFN-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](C(C)C)N1CCCC1 ZINC001506580504 1062154124 /nfs/dbraw/zinc/15/41/24/1062154124.db2.gz GZKDHIPRGGLBFN-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C(=O)CN1CC[C@H](C)C1)C1CC[NH+](CC2CC2)CC1 ZINC001479995521 1062158689 /nfs/dbraw/zinc/15/86/89/1062158689.db2.gz PKAMBOWQDDSIKM-INIZCTEOSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H](CCC[NH2+]Cc1ccsc1)NC(=O)CN1CC[C@@H](C)C1 ZINC001506938514 1062554193 /nfs/dbraw/zinc/55/41/93/1062554193.db2.gz TWGSTDDKRRCHRQ-CABCVRRESA-N 1 3 323.506 2.464 20 0 DEADHO CCCCC[NH2+]C[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001480296467 1062600762 /nfs/dbraw/zinc/60/07/62/1062600762.db2.gz XGALHKPTYLXARE-SJORKVTESA-N 1 3 309.498 2.347 20 0 DEADHO CN(C(=O)Cc1c[nH]cn1)[C@@H](C[NH2+]CCC1CCCC1)C1CC1 ZINC001507022261 1062687047 /nfs/dbraw/zinc/68/70/47/1062687047.db2.gz AXSNRHCYNBBLFL-KRWDZBQOSA-N 1 3 318.465 2.359 20 0 DEADHO CC(C)=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC001507325426 1063099512 /nfs/dbraw/zinc/09/95/12/1063099512.db2.gz QIEOYFORMBXYEU-SJORKVTESA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCc2ccccc2)C[C@@H]1C ZINC001507338930 1063118046 /nfs/dbraw/zinc/11/80/46/1063118046.db2.gz LMEDJEKZTRLTMD-WMZOPIPTSA-N 1 3 317.477 2.148 20 0 DEADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]Cc2ccccc2C)C1 ZINC001508145496 1063580309 /nfs/dbraw/zinc/58/03/09/1063580309.db2.gz NLZAJXVKLZRXRN-UHFFFAOYSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+]CCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001493694288 1063921160 /nfs/dbraw/zinc/92/11/60/1063921160.db2.gz DAIVEUANWDIFCX-RDJZCZTQSA-N 1 3 317.477 2.446 20 0 DEADHO Cc1ccc(F)c(CNCCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)c1 ZINC001493695551 1063923187 /nfs/dbraw/zinc/92/31/87/1063923187.db2.gz SGDBUHDFRXWEOJ-HNNXBMFYSA-N 1 3 321.440 2.024 20 0 DEADHO Cc1ccc(F)c(CNCCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC001493695551 1063923203 /nfs/dbraw/zinc/92/32/03/1063923203.db2.gz SGDBUHDFRXWEOJ-HNNXBMFYSA-N 1 3 321.440 2.024 20 0 DEADHO CN(CC(=O)N(C)CC[NH2+]Cc1cccc(F)c1)CC(C)(C)C ZINC001493696106 1063923560 /nfs/dbraw/zinc/92/35/60/1063923560.db2.gz PJUGZFOZVZJIKU-UHFFFAOYSA-N 1 3 323.456 2.352 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)C/C=C/Cl)CC1 ZINC001494191618 1064165064 /nfs/dbraw/zinc/16/50/64/1064165064.db2.gz ULFRDKDCLBVHCO-LWUPOJRFSA-N 1 3 313.873 2.004 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)C/C=C/Cl)CC1 ZINC001494191618 1064165071 /nfs/dbraw/zinc/16/50/71/1064165071.db2.gz ULFRDKDCLBVHCO-LWUPOJRFSA-N 1 3 313.873 2.004 20 0 DEADHO CCc1ccc(C[NH2+]CCN(C)C(=O)C2(N(C)C)CCC2)cc1 ZINC001567507689 1064229947 /nfs/dbraw/zinc/22/99/47/1064229947.db2.gz HXKIEIKUFGUEES-UHFFFAOYSA-N 1 3 317.477 2.281 20 0 DEADHO CN(C)C1(C(=O)N(C)CC[NH2+]CC2CCC3(CC3)CC2)CCC1 ZINC001567508133 1064230031 /nfs/dbraw/zinc/23/00/31/1064230031.db2.gz QRNDYXNGJXITIQ-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CN(CCNCc1cccc(F)c1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001567510664 1064231705 /nfs/dbraw/zinc/23/17/05/1064231705.db2.gz FXMNEEDJOSVPCZ-QGZVFWFLSA-N 1 3 321.440 2.248 20 0 DEADHO CN(CCNCc1cccc(F)c1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001567510664 1064231715 /nfs/dbraw/zinc/23/17/15/1064231715.db2.gz FXMNEEDJOSVPCZ-QGZVFWFLSA-N 1 3 321.440 2.248 20 0 DEADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCC1CN(CC2=CCCCC2)C1 ZINC001494564910 1064321660 /nfs/dbraw/zinc/32/16/60/1064321660.db2.gz ZDJJAWOHRCVLHB-SFHVURJKSA-N 1 3 319.493 2.409 20 0 DEADHO C[N@H+]1CCC[C@H]1CCC(=O)NCC1CN(CC2=CCCCC2)C1 ZINC001494564910 1064321668 /nfs/dbraw/zinc/32/16/68/1064321668.db2.gz ZDJJAWOHRCVLHB-SFHVURJKSA-N 1 3 319.493 2.409 20 0 DEADHO CCC/C=C\CC[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001567737434 1064389681 /nfs/dbraw/zinc/38/96/81/1064389681.db2.gz AYUJZJBVAKGSHH-OGZRUICASA-N 1 3 318.465 2.479 20 0 DEADHO CCC/C=C\CC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001567737434 1064389686 /nfs/dbraw/zinc/38/96/86/1064389686.db2.gz AYUJZJBVAKGSHH-OGZRUICASA-N 1 3 318.465 2.479 20 0 DEADHO CC[C@@H](F)C[NH2+]CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001568097652 1064644371 /nfs/dbraw/zinc/64/43/71/1064644371.db2.gz GORSLBBYBZIVFC-MRXNPFEDSA-N 1 3 313.461 2.049 20 0 DEADHO Cc1ccc(CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCN2C)cc1 ZINC001568262575 1064737742 /nfs/dbraw/zinc/73/77/42/1064737742.db2.gz LCVNRSFZNSBYIH-SJLPKXTDSA-N 1 3 317.477 2.068 20 0 DEADHO CC[C@@H](F)CNCCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001568781954 1065114101 /nfs/dbraw/zinc/11/41/01/1065114101.db2.gz VZPWGDKWOALPOM-CVEARBPZSA-N 1 3 315.477 2.436 20 0 DEADHO CC[C@@H](F)CNCCN(CC)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001568781954 1065114107 /nfs/dbraw/zinc/11/41/07/1065114107.db2.gz VZPWGDKWOALPOM-CVEARBPZSA-N 1 3 315.477 2.436 20 0 DEADHO CCN(CC[NH2+]Cc1cc(F)ccc1C)C(=O)CN1CCCC1 ZINC001568797826 1065123519 /nfs/dbraw/zinc/12/35/19/1065123519.db2.gz NCKAULLZCSDXKK-UHFFFAOYSA-N 1 3 321.440 2.168 20 0 DEADHO Cc1cc(CNC/C=C\CNC(=O)C[N@H+]2CC[C@@H](C)C2)cs1 ZINC001568919815 1065192168 /nfs/dbraw/zinc/19/21/68/1065192168.db2.gz JPBOLCYWRMVZHX-VQTKUKTRSA-N 1 3 321.490 2.160 20 0 DEADHO Cc1cc(CNC/C=C\CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cs1 ZINC001568919815 1065192171 /nfs/dbraw/zinc/19/21/71/1065192171.db2.gz JPBOLCYWRMVZHX-VQTKUKTRSA-N 1 3 321.490 2.160 20 0 DEADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+]CC1CC2(CCC2)C1 ZINC001496247353 1065361646 /nfs/dbraw/zinc/36/16/46/1065361646.db2.gz FZYKFNRAWFHBNI-OAHLLOKOSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1csc(C)c1)N(C)C ZINC001569241509 1065390099 /nfs/dbraw/zinc/39/00/99/1065390099.db2.gz ZKKSCMYIMFENEP-HNNXBMFYSA-N 1 3 311.495 2.335 20 0 DEADHO CC(C)=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001569673684 1065664002 /nfs/dbraw/zinc/66/40/02/1065664002.db2.gz XPHAZWAEZVSIAD-WMZOPIPTSA-N 1 3 309.498 2.367 20 0 DEADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCCC(C)(C)C ZINC001570355032 1066030363 /nfs/dbraw/zinc/03/03/63/1066030363.db2.gz VUWUSXUKQHAEKK-DZGCQCFKSA-N 1 3 306.454 2.215 20 0 DEADHO CC(C)(C)Oc1cccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC001575257735 1066243649 /nfs/dbraw/zinc/24/36/49/1066243649.db2.gz AFUOHOVNZJRBRV-QGZVFWFLSA-N 1 3 317.477 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC(C[NH3+])(c2ccccc2)CC1)N(C)C ZINC001575402030 1066288624 /nfs/dbraw/zinc/28/86/24/1066288624.db2.gz NUIWHDBXRYGIBQ-KRWDZBQOSA-N 1 3 317.477 2.092 20 0 DEADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)CC1(C[NH3+])CC1 ZINC001575422233 1066297688 /nfs/dbraw/zinc/29/76/88/1066297688.db2.gz GEEKLLDHIOEQAM-QGZVFWFLSA-N 1 3 317.477 2.388 20 0 DEADHO CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC001575435060 1066301449 /nfs/dbraw/zinc/30/14/49/1066301449.db2.gz UVVLHOUNHGZSRS-MSOLQXFVSA-N 1 3 317.477 2.041 20 0 DEADHO CC(C)C[C@@H](Cc1cccc(Cl)c1)NC[C@H]1C[NH2+]C[C@H]1O ZINC001575544797 1066344962 /nfs/dbraw/zinc/34/49/62/1066344962.db2.gz KCTBUSQCKLUHOY-HYVNUMGLSA-N 1 3 310.869 2.467 20 0 DEADHO CC(C)C[C@H]1C[C@@H](NCc2nc3c(s2)C[NH2+]CC3)CCO1 ZINC001575548985 1066345661 /nfs/dbraw/zinc/34/56/61/1066345661.db2.gz BTWQAUHQEYLPQJ-STQMWFEESA-N 1 3 309.479 2.472 20 0 DEADHO C[C@@H](N)[C@@H]1CCCC[N@@H+]1C[C@@H](O)CCOCc1ccccc1 ZINC001576116833 1066497612 /nfs/dbraw/zinc/49/76/12/1066497612.db2.gz AVJSOVJSHZRHFW-NJAFHUGGSA-N 1 3 306.450 2.156 20 0 DEADHO C[C@@H](N)[C@@H]1CCCC[N@H+]1C[C@@H](O)CCOCc1ccccc1 ZINC001576116833 1066497615 /nfs/dbraw/zinc/49/76/15/1066497615.db2.gz AVJSOVJSHZRHFW-NJAFHUGGSA-N 1 3 306.450 2.156 20 0 DEADHO C[C@@H](NC(=O)[C@H]1CC[C@@H]([NH3+])CC1)[C@H](c1ccccc1)N(C)C ZINC001576220713 1066525326 /nfs/dbraw/zinc/52/53/26/1066525326.db2.gz NLSAXYYUSGAXBS-MXASKKJJSA-N 1 3 303.450 2.312 20 0 DEADHO CC1(C)C[NH2+]C[C@H]1C(=O)N(CCN1CCCC1)c1ccccc1 ZINC001576469159 1066617091 /nfs/dbraw/zinc/61/70/91/1066617091.db2.gz LIKKCIUHWWTAPB-KRWDZBQOSA-N 1 3 315.461 2.361 20 0 DEADHO CC(C)=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001498495991 1066745466 /nfs/dbraw/zinc/74/54/66/1066745466.db2.gz DAOKFRBWTGNEDP-HZPDHXFCSA-N 1 3 318.465 2.491 20 0 DEADHO CCC(CC)(C[NH3+])CNC[C@]1(COC)OCCc2ccccc21 ZINC001577052560 1066754748 /nfs/dbraw/zinc/75/47/48/1066754748.db2.gz WXJLTCYHKZLASX-LJQANCHMSA-N 1 3 320.477 2.456 20 0 DEADHO CC[C@@H]([NH2+]C)C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC001577172046 1066779255 /nfs/dbraw/zinc/77/92/55/1066779255.db2.gz IGZOGFQFYTWANU-SJORKVTESA-N 1 3 321.465 2.191 20 0 DEADHO CCC[C@H](NCc1cc(C2C[NH2+]C2)no1)[C@@H](O)c1ccccc1 ZINC001577366313 1066825743 /nfs/dbraw/zinc/82/57/43/1066825743.db2.gz YIVMTRBUZHVYDE-WMZOPIPTSA-N 1 3 315.417 2.353 20 0 DEADHO CCCCCCN(C)CC(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC001634105495 1078419566 /nfs/dbraw/zinc/41/95/66/1078419566.db2.gz IYTSLJSTFNNQHC-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CCCn1cc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c(C)n1 ZINC001577622333 1066887716 /nfs/dbraw/zinc/88/77/16/1066887716.db2.gz LPVFLRZAIVVVGB-QZTJIDSGSA-N 1 3 320.481 2.320 20 0 DEADHO CC[NH+](CC)CC[C@@H](NC(=O)OC1CNC1)c1ccccc1 ZINC001577687489 1066904815 /nfs/dbraw/zinc/90/48/15/1066904815.db2.gz IISBCYSOYCENHA-MRXNPFEDSA-N 1 3 305.422 2.158 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001498861891 1066926463 /nfs/dbraw/zinc/92/64/63/1066926463.db2.gz NTWUBQDASVQEHF-QGZVFWFLSA-N 1 3 318.465 2.325 20 0 DEADHO CN(CCCCCC[NH3+])Cc1cn(C)nc1C1CCOCC1 ZINC001578465921 1067111476 /nfs/dbraw/zinc/11/14/76/1067111476.db2.gz VJUISJBIHQSUKR-UHFFFAOYSA-N 1 3 308.470 2.265 20 0 DEADHO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C[NH3+])C1CCCCCC1 ZINC001578540542 1067127782 /nfs/dbraw/zinc/12/77/82/1067127782.db2.gz XEJGAUCKTJYQLW-BBWFWOEESA-N 1 3 307.482 2.227 20 0 DEADHO COC(=O)c1ccc2cc(CCNCC(C)(C)C[NH3+])oc2c1 ZINC001578874669 1067188041 /nfs/dbraw/zinc/18/80/41/1067188041.db2.gz GIXJIRAJMBYBBZ-UHFFFAOYSA-N 1 3 304.390 2.336 20 0 DEADHO COC(=O)c1ccc2cc(CC[NH2+]CC(C)(C)CN)oc2c1 ZINC001578874669 1067188044 /nfs/dbraw/zinc/18/80/44/1067188044.db2.gz GIXJIRAJMBYBBZ-UHFFFAOYSA-N 1 3 304.390 2.336 20 0 DEADHO COc1cc(OC)c(C[C@@H](C)NC[C@]2(C)CC[NH2+]C2)c(OC)c1 ZINC001579170626 1067249343 /nfs/dbraw/zinc/24/93/43/1067249343.db2.gz ZLKMRCDBZWVWQR-FZKQIMNGSA-N 1 3 322.449 2.233 20 0 DEADHO COc1cc(OC)c(C[C@H](C)NC[C@@]2(C)CC[NH2+]C2)c(OC)c1 ZINC001579170628 1067249624 /nfs/dbraw/zinc/24/96/24/1067249624.db2.gz ZLKMRCDBZWVWQR-UGSOOPFHSA-N 1 3 322.449 2.233 20 0 DEADHO COc1ccc(CN2CCC(OCCC[NH3+])CC2)c(C)c1OC ZINC001579212632 1067260123 /nfs/dbraw/zinc/26/01/23/1067260123.db2.gz HMUZNUASFVQZNE-UHFFFAOYSA-N 1 3 322.449 2.342 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC001499577174 1067265312 /nfs/dbraw/zinc/26/53/12/1067265312.db2.gz RCEFTUPJULEZJQ-SFHVURJKSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC001499577174 1067265319 /nfs/dbraw/zinc/26/53/19/1067265319.db2.gz RCEFTUPJULEZJQ-SFHVURJKSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]([NH3+])CC(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC001579402515 1067328968 /nfs/dbraw/zinc/32/89/68/1067328968.db2.gz UPUXMXLPYHWHSG-SECBINFHSA-N 1 3 303.328 2.443 20 0 DEADHO C[C@@H](NCc1c(F)cncc1Br)C1CC[NH2+]CC1 ZINC001579414748 1067329752 /nfs/dbraw/zinc/32/97/52/1067329752.db2.gz OHBYUXASCRFYGX-SECBINFHSA-N 1 3 316.218 2.461 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN(C)Cc1cc(F)ccc1C ZINC001483404463 1078512069 /nfs/dbraw/zinc/51/20/69/1078512069.db2.gz TUYZZHDBCWJBBK-HNNXBMFYSA-N 1 3 323.456 2.412 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN(C)Cc1cc(F)ccc1C ZINC001483404463 1078512072 /nfs/dbraw/zinc/51/20/72/1078512072.db2.gz TUYZZHDBCWJBBK-HNNXBMFYSA-N 1 3 323.456 2.412 20 0 DEADHO CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001267057176 1078533582 /nfs/dbraw/zinc/53/35/82/1078533582.db2.gz CFWAKRGPNVWPTP-FDRQBBGKSA-N 1 3 307.482 2.123 20 0 DEADHO Cn1c(C(=O)NCCN2CCCCC2)ccc1[C@@H]1CCCC[NH2+]1 ZINC001579944459 1067459487 /nfs/dbraw/zinc/45/94/87/1067459487.db2.gz MDZMAKJOKHWEIR-HNNXBMFYSA-N 1 3 318.465 2.055 20 0 DEADHO Cn1cc([C@@H]2C[C@H]2CN[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cn1 ZINC001579970333 1067463904 /nfs/dbraw/zinc/46/39/04/1067463904.db2.gz UHTHRDFPIYKLKC-JCHJZTRSSA-N 1 3 310.445 2.259 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCc2cccs2)C1)N(C)C ZINC001571162878 1068188610 /nfs/dbraw/zinc/18/86/10/1068188610.db2.gz IXIRPGZEGUOJDU-DZKIICNBSA-N 1 3 323.506 2.115 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@@H]1CCN1CC/C=C/c1ccccc1 ZINC001483675717 1078775371 /nfs/dbraw/zinc/77/53/71/1078775371.db2.gz DLVCACMCONPRTI-OPUMOTSWSA-N 1 3 315.461 2.232 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[NH2+]Cc1cc2ccccc2o1)N(C)C ZINC001267430869 1078850232 /nfs/dbraw/zinc/85/02/32/1078850232.db2.gz XXCXPCADGKRKEX-INIZCTEOSA-N 1 3 317.433 2.321 20 0 DEADHO CCc1cccc(C[NH2+]CCN(C)C(=O)CN2CC[C@@H](C)C2)c1 ZINC001267429336 1078845966 /nfs/dbraw/zinc/84/59/66/1078845966.db2.gz XTXGASNQXBDBNC-MRXNPFEDSA-N 1 3 317.477 2.139 20 0 DEADHO CC[NH+](CC)CC[C@@H](C)NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC001521451763 1069242954 /nfs/dbraw/zinc/24/29/54/1069242954.db2.gz AIEQGUOJWRXWML-CABCVRRESA-N 1 3 310.486 2.056 20 0 DEADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CCc1cccs1 ZINC001369248301 1148881095 /nfs/dbraw/zinc/88/10/95/1148881095.db2.gz DLEHZYRHOQFTSG-AWEZNQCLSA-N 1 3 323.506 2.211 20 0 DEADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N(CCN(C)C)C3CCCC3)C[N@@H+]2C1 ZINC001548646951 1072757876 /nfs/dbraw/zinc/75/78/76/1072757876.db2.gz LJLKXNQMNOWQTJ-NUJGCVRESA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N(CCN(C)C)C3CCCC3)C[N@H+]2C1 ZINC001548646951 1072757883 /nfs/dbraw/zinc/75/78/83/1072757883.db2.gz LJLKXNQMNOWQTJ-NUJGCVRESA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NC[C@H]3CCCCN3C3CC3)C[N@@H+]2C1 ZINC001548694023 1072810918 /nfs/dbraw/zinc/81/09/18/1072810918.db2.gz KIDRDXCPQBAMQK-MXSMSXNCSA-N 1 3 319.493 2.240 20 0 DEADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NC[C@H]3CCCCN3C3CC3)C[N@H+]2C1 ZINC001548694023 1072810924 /nfs/dbraw/zinc/81/09/24/1072810924.db2.gz KIDRDXCPQBAMQK-MXSMSXNCSA-N 1 3 319.493 2.240 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001483740378 1078974282 /nfs/dbraw/zinc/97/42/82/1078974282.db2.gz CULFOOKYBAHWFY-OAHLLOKOSA-N 1 3 309.498 2.391 20 0 DEADHO [NH3+]C[C@@]12CCC[C@@H]1CN(Cc1ccc(C(=O)NC3CC3)cc1)C2 ZINC001549087493 1073010573 /nfs/dbraw/zinc/01/05/73/1073010573.db2.gz NCSAAJUQEGPCOJ-VQIMIIECSA-N 1 3 313.445 2.140 20 0 DEADHO C[C@H](NC(=O)C(C)(C)N1CCCCC1)C1C[NH+](CC2CC2)C1 ZINC001409897122 1079044136 /nfs/dbraw/zinc/04/41/36/1079044136.db2.gz DXRVEZYHHBNXBB-AWEZNQCLSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1c1ccccc1)N1CCCCCC1 ZINC001550077226 1073414327 /nfs/dbraw/zinc/41/43/27/1073414327.db2.gz NCYIQNVNDCMGRN-KBAYOESNSA-N 1 3 315.461 2.123 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CCCC[C@H]3[NH3+])C2)cc1 ZINC001550100915 1073426983 /nfs/dbraw/zinc/42/69/83/1073426983.db2.gz TWDLIJCUBGYFGX-OKZBNKHCSA-N 1 3 315.461 2.203 20 0 DEADHO C[NH+]1CCC2(CCN(Cc3cc(=O)[nH]c(C4CC4)n3)CC2)CC1 ZINC001550135863 1073453517 /nfs/dbraw/zinc/45/35/17/1073453517.db2.gz GXYGLNXGXDIDCG-UHFFFAOYSA-N 1 3 316.449 2.367 20 0 DEADHO Cc1ccccc1C[N@@H+](C)CCCNC(=O)CN(C)C1CCC1 ZINC001649435990 1079117354 /nfs/dbraw/zinc/11/73/54/1079117354.db2.gz NWFQKPFWPSDYFG-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO Cc1ccccc1C[N@H+](C)CCCNC(=O)CN(C)C1CCC1 ZINC001649435990 1079117355 /nfs/dbraw/zinc/11/73/55/1079117355.db2.gz NWFQKPFWPSDYFG-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3scnc3C)C2)[C@H]1C(C)C ZINC001550424229 1073648806 /nfs/dbraw/zinc/64/88/06/1073648806.db2.gz ZYZSRZREIWQTES-DIECFANBSA-N 1 3 323.506 2.411 20 0 DEADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3scnc3C)C2)[C@H]1C(C)C ZINC001550424229 1073648812 /nfs/dbraw/zinc/64/88/12/1073648812.db2.gz ZYZSRZREIWQTES-DIECFANBSA-N 1 3 323.506 2.411 20 0 DEADHO CCC[C@@H](C)[C@@H](CO)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001414170797 1079142726 /nfs/dbraw/zinc/14/27/26/1079142726.db2.gz ZYLADMVUEDRHRF-RZZCCWGQSA-N 1 3 312.498 2.407 20 0 DEADHO CCC[NH+]1CCC(N[C@H]2CCC[C@@H]2Oc2cnn(C)c2)CC1 ZINC001550665910 1073784522 /nfs/dbraw/zinc/78/45/22/1073784522.db2.gz GLJHVKMBQKXEDZ-IRXDYDNUSA-N 1 3 306.454 2.184 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@@]23CCC[C@H]2C[NH2+]C3)c1 ZINC001551309363 1074159042 /nfs/dbraw/zinc/15/90/42/1074159042.db2.gz QSWQIFUPFDRDBG-WMLDXEAASA-N 1 3 302.422 2.012 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(Cn3c4ccccc4oc3=O)C[C@H]2C1 ZINC001551383349 1074198822 /nfs/dbraw/zinc/19/88/22/1074198822.db2.gz RGZHXSZEUXIMFY-RBSFLKMASA-N 1 3 315.417 2.214 20 0 DEADHO CC(C)C[C@H](C)N(C)C(=O)CN1CCCC2(CC[NH2+]CC2)C1 ZINC001649849678 1079263173 /nfs/dbraw/zinc/26/31/73/1079263173.db2.gz OKCFRKJHTDZJFS-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CCn1cc([C@@H]2OCC[C@@H]2CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC001552375448 1074559415 /nfs/dbraw/zinc/55/94/15/1074559415.db2.gz IOLMWWYWVUNZHJ-VDHUWJSZSA-N 1 3 318.465 2.197 20 0 DEADHO CCn1cc([C@@H]2OCC[C@@H]2CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC001552375448 1074559424 /nfs/dbraw/zinc/55/94/24/1074559424.db2.gz IOLMWWYWVUNZHJ-VDHUWJSZSA-N 1 3 318.465 2.197 20 0 DEADHO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1NCc2ccccc21 ZINC001552390692 1074564727 /nfs/dbraw/zinc/56/47/27/1074564727.db2.gz GXSKLVQHVYSUNZ-IXDOHACOSA-N 1 3 301.434 2.210 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCCC[NH2+]C1 ZINC001552399430 1074567817 /nfs/dbraw/zinc/56/78/17/1074567817.db2.gz XOLGFOXVQXXDOX-NXHRZFHOSA-N 1 3 315.461 2.013 20 0 DEADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)[C@@H]1CCCC[NH2+]C1 ZINC001552415603 1074571903 /nfs/dbraw/zinc/57/19/03/1074571903.db2.gz FGZXVYDQOFOELS-MSOLQXFVSA-N 1 3 315.461 2.329 20 0 DEADHO O=C(c1cccc2c1CNC2)N1CCC[C@H]([C@H]2CCCC[NH2+]2)C1 ZINC001552432817 1074575378 /nfs/dbraw/zinc/57/53/78/1074575378.db2.gz WWIYKBLXDCVATD-MAUKXSAKSA-N 1 3 313.445 2.284 20 0 DEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C[C@H]([NH3+])C(C)(C)C ZINC001646750048 1074598220 /nfs/dbraw/zinc/59/82/20/1074598220.db2.gz VIZFHJZSUOFHFU-INIZCTEOSA-N 1 3 323.456 2.479 20 0 DEADHO CCn1ccnc1[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC001552776466 1074653422 /nfs/dbraw/zinc/65/34/22/1074653422.db2.gz SXPFWZXYCXVXIB-QBPKDAKJSA-N 1 3 320.481 2.443 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@]23CCC[C@H]2[NH2+]CC3)N(C)C)cc1 ZINC001552832703 1074672266 /nfs/dbraw/zinc/67/22/66/1074672266.db2.gz XDYGAQWJGYPLEO-YQVWRLOYSA-N 1 3 315.461 2.246 20 0 DEADHO CC1(C)[C@@H]2NCCC[C@@H]2[C@@H]1[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC001553022249 1074738188 /nfs/dbraw/zinc/73/81/88/1074738188.db2.gz PVVNFTYGZXZMBZ-RQJABVFESA-N 1 3 319.415 2.237 20 0 DEADHO CC1(C)[C@@H]2NCCC[C@@H]2[C@H]1[NH2+]C1CCN(CC(F)F)CC1 ZINC001553023649 1074738452 /nfs/dbraw/zinc/73/84/52/1074738452.db2.gz KOPXZJGFPKFFJT-NWANDNLSSA-N 1 3 301.425 2.082 20 0 DEADHO O[C@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC12CC2 ZINC001647148497 1074816824 /nfs/dbraw/zinc/81/68/24/1074816824.db2.gz KIEWQFKVWVKUED-SFHVURJKSA-N 1 3 316.445 2.118 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)C23CCC[NH+](CCC2)C3)s1 ZINC001553654972 1074975605 /nfs/dbraw/zinc/97/56/05/1074975605.db2.gz YCNDZNPOXCCSHQ-UHFFFAOYSA-N 1 3 321.490 2.302 20 0 DEADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NC[C@H]3CCN3C(C)(C)C)C[N@@H+]2C1 ZINC001649328175 1075038506 /nfs/dbraw/zinc/03/85/06/1075038506.db2.gz POVCXVVEFZGPFL-FXUDXRNXSA-N 1 3 307.482 2.096 20 0 DEADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NC[C@H]3CCN3C(C)(C)C)C[N@H+]2C1 ZINC001649328175 1075038508 /nfs/dbraw/zinc/03/85/08/1075038508.db2.gz POVCXVVEFZGPFL-FXUDXRNXSA-N 1 3 307.482 2.096 20 0 DEADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1)C1CCC1 ZINC001566792835 1075346103 /nfs/dbraw/zinc/34/61/03/1075346103.db2.gz ANMUWTMRNXPFFM-WKILWMFISA-N 1 3 305.466 2.208 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]C/C=C\Cl)N(C)C ZINC001566940736 1075394453 /nfs/dbraw/zinc/39/44/53/1075394453.db2.gz PRGWSIJUTOCFRX-SKJVMOOOSA-N 1 3 315.889 2.296 20 0 DEADHO Cc1cc(C[NH2+]CCN(C)C(=O)[C@H]2CCCN2C)c(C)s1 ZINC001481216256 1079416368 /nfs/dbraw/zinc/41/63/68/1079416368.db2.gz WTXFIZLIRQKPNT-OAHLLOKOSA-N 1 3 309.479 2.007 20 0 DEADHO Cc1ccc(C)c(OC[C@@H](O)CNC[C@@H]2CCC[N@@H+](C)C2)c1C ZINC001650159512 1079428109 /nfs/dbraw/zinc/42/81/09/1079428109.db2.gz UELFOGQIZCEXBO-ROUUACIJSA-N 1 3 320.477 2.283 20 0 DEADHO Cc1ccc(C)c(OC[C@@H](O)CNC[C@@H]2CCC[N@H+](C)C2)c1C ZINC001650159512 1079428111 /nfs/dbraw/zinc/42/81/11/1079428111.db2.gz UELFOGQIZCEXBO-ROUUACIJSA-N 1 3 320.477 2.283 20 0 DEADHO [NH3+][C@H]1CC[C@H](NC(=O)c2ccc(NC3=NCCC3)cc2)CC1 ZINC001580419421 1075919366 /nfs/dbraw/zinc/91/93/66/1075919366.db2.gz FCNMMBORZHKPEA-CTYIDZIISA-N 1 3 300.406 2.291 20 0 DEADHO CC[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC001590471158 1076636045 /nfs/dbraw/zinc/63/60/45/1076636045.db2.gz XYYMUUNJVNKIKY-WQVCFCJDSA-N 1 3 314.437 2.153 20 0 DEADHO CC[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590471158 1076636047 /nfs/dbraw/zinc/63/60/47/1076636047.db2.gz XYYMUUNJVNKIKY-WQVCFCJDSA-N 1 3 314.437 2.153 20 0 DEADHO O=C(Nc1cccc2c1CC[NH2+]C2)c1cc2c(s1)CNCC2 ZINC001650316033 1079520669 /nfs/dbraw/zinc/52/06/69/1079520669.db2.gz SXFQCDVOWRKYJQ-UHFFFAOYSA-N 1 3 313.426 2.292 20 0 DEADHO CC(C)C[C@@](C)(C[NH3+])C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC001650334265 1079535758 /nfs/dbraw/zinc/53/57/58/1079535758.db2.gz ZXSKZDHVQMHRGB-WMZOPIPTSA-N 1 3 305.466 2.417 20 0 DEADHO CN(CCNC/C=C/Cl)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001481279854 1079598914 /nfs/dbraw/zinc/59/89/14/1079598914.db2.gz ORUSYRVTKHGHJM-ONNFQVAWSA-N 1 3 323.868 2.205 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CC[C@H]([NH2+]CCCF)CC1 ZINC001267932243 1079613367 /nfs/dbraw/zinc/61/33/67/1079613367.db2.gz GLQOWNFHEGBMBJ-LDKKBFSKSA-N 1 3 313.461 2.236 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001267953820 1079634316 /nfs/dbraw/zinc/63/43/16/1079634316.db2.gz SZLCAESVSRJOAD-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](NCCF)c1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001484564006 1079662698 /nfs/dbraw/zinc/66/26/98/1079662698.db2.gz ZFVWAAQWRUJPOJ-AWEZNQCLSA-N 1 3 319.424 2.019 20 0 DEADHO CC[C@H]([NH2+]CCN(C)C(=O)CN1CCCC1)c1ccccc1 ZINC001481314236 1079709562 /nfs/dbraw/zinc/70/95/62/1079709562.db2.gz BUKGSLXDXWNHIK-KRWDZBQOSA-N 1 3 303.450 2.282 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC2=CCCCC2)C[C@@H]1C ZINC001284025394 1079712278 /nfs/dbraw/zinc/71/22/78/1079712278.db2.gz JQVDFPSEVZHVIG-RDJZCZTQSA-N 1 3 307.482 2.408 20 0 DEADHO CC[C@@H](F)CN1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001484723118 1079748096 /nfs/dbraw/zinc/74/80/96/1079748096.db2.gz LWFGVRRDIUBFEP-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@H+](CC2CC(C)C2)CC1 ZINC001484725853 1079750496 /nfs/dbraw/zinc/75/04/96/1079750496.db2.gz FNKWCWLAYUXQSV-OFLPRAFFSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@@H+](CC2CC(C)C2)CC1 ZINC001484725853 1079750502 /nfs/dbraw/zinc/75/05/02/1079750502.db2.gz FNKWCWLAYUXQSV-OFLPRAFFSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001484833019 1079820681 /nfs/dbraw/zinc/82/06/81/1079820681.db2.gz ZNMAULSAUCMNOK-SFHVURJKSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001484833019 1079820685 /nfs/dbraw/zinc/82/06/85/1079820685.db2.gz ZNMAULSAUCMNOK-SFHVURJKSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)N(C)CC(=O)NCc1ccc2c(c1)C[N@@H+](CC1CC1)C2 ZINC001484876118 1079832897 /nfs/dbraw/zinc/83/28/97/1079832897.db2.gz SHWBBZGYRDYBDH-UHFFFAOYSA-N 1 3 315.461 2.369 20 0 DEADHO CC(C)N(C)CC(=O)NCc1ccc2c(c1)C[N@H+](CC1CC1)C2 ZINC001484876118 1079832899 /nfs/dbraw/zinc/83/28/99/1079832899.db2.gz SHWBBZGYRDYBDH-UHFFFAOYSA-N 1 3 315.461 2.369 20 0 DEADHO C[N@H+](CCC1CCCC1)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001481499655 1079957894 /nfs/dbraw/zinc/95/78/94/1079957894.db2.gz XGZMRCHNUXOJFI-INIZCTEOSA-N 1 3 318.465 2.313 20 0 DEADHO C[N@@H+](CCC1CCCC1)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001481499655 1079957899 /nfs/dbraw/zinc/95/78/99/1079957899.db2.gz XGZMRCHNUXOJFI-INIZCTEOSA-N 1 3 318.465 2.313 20 0 DEADHO CC(C)C[C@H](C[NH2+]C/C=C/Cl)NC(=O)CN1CC[C@H](C)C1 ZINC001268110747 1080080492 /nfs/dbraw/zinc/08/04/92/1080080492.db2.gz IDFCKYSAKHSPIJ-UNCXAERMSA-N 1 3 315.889 2.201 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CCCCC3)C[C@H]21)N(C)C ZINC001485616511 1080334577 /nfs/dbraw/zinc/33/45/77/1080334577.db2.gz SMGYEGKKEHLTQM-FJIDUMEYSA-N 1 3 321.509 2.201 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CCCCC3)C[C@H]21)N(C)C ZINC001485616511 1080334578 /nfs/dbraw/zinc/33/45/78/1080334578.db2.gz SMGYEGKKEHLTQM-FJIDUMEYSA-N 1 3 321.509 2.201 20 0 DEADHO C[C@@H](CCC[NH2+]CCF)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001485739316 1080400890 /nfs/dbraw/zinc/40/08/90/1080400890.db2.gz PYOZXTPPWMLWRZ-BBRMVZONSA-N 1 3 319.440 2.043 20 0 DEADHO CN(C(=O)CC[NH+](C)C)[C@H]1CCN(CCCCC(F)(F)F)C1 ZINC001481739741 1080416662 /nfs/dbraw/zinc/41/66/62/1080416662.db2.gz DUKVQUUSNWTHFK-ZDUSSCGKSA-N 1 3 323.403 2.203 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001268401343 1080427613 /nfs/dbraw/zinc/42/76/13/1080427613.db2.gz BGWNCBWZQNNBGS-HOCLYGCPSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)CC[NH2+]C[C@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001661947553 1080549048 /nfs/dbraw/zinc/54/90/48/1080549048.db2.gz VOCZGOBXACCWQW-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CCC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001662048822 1080565401 /nfs/dbraw/zinc/56/54/01/1080565401.db2.gz SMPYMNIBDKLYEV-FKTPSGSSSA-N 1 3 319.493 2.264 20 0 DEADHO CCC/C=C/CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001662048822 1080565406 /nfs/dbraw/zinc/56/54/06/1080565406.db2.gz SMPYMNIBDKLYEV-FKTPSGSSSA-N 1 3 319.493 2.264 20 0 DEADHO CC(C)=CC[NH2+]C1CCC(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001662129806 1080571354 /nfs/dbraw/zinc/57/13/54/1080571354.db2.gz CGFOQQQISOQSLD-KLAILNCOSA-N 1 3 307.482 2.311 20 0 DEADHO CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)NCc1cncs1 ZINC001481882846 1080572512 /nfs/dbraw/zinc/57/25/12/1080572512.db2.gz USDLXBPORHSWNR-AWEZNQCLSA-N 1 3 324.494 2.004 20 0 DEADHO CC/C=C/CC[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001662639419 1080624861 /nfs/dbraw/zinc/62/48/61/1080624861.db2.gz BNLZFNARKQPHMI-DWTRPJMMSA-N 1 3 307.482 2.265 20 0 DEADHO CC[C@H](C(=O)N(CC)CC[NH2+]Cc1cccc(C)c1)N(C)C ZINC001268492675 1080627527 /nfs/dbraw/zinc/62/75/27/1080627527.db2.gz JWYLNGNECBRZED-QGZVFWFLSA-N 1 3 305.466 2.273 20 0 DEADHO CC[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CCCF ZINC001269168573 1081148762 /nfs/dbraw/zinc/14/87/62/1081148762.db2.gz HSKQXDUWJUFOJE-GOEBONIOSA-N 1 3 313.461 2.047 20 0 DEADHO CCN(CC[NH2+]CCCF)C(=O)[C@@H]1CCCCN1C(C)C ZINC001668575876 1081369513 /nfs/dbraw/zinc/36/95/13/1081369513.db2.gz WUGDRYOGBWZNJQ-HNNXBMFYSA-N 1 3 301.450 2.047 20 0 DEADHO CC[C@H](C(=O)N1CCC(CC[NH2+]CC2CCC2)CC1)N(C)C ZINC001269935849 1081404641 /nfs/dbraw/zinc/40/46/41/1081404641.db2.gz YYALVVZJHHVBJD-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO O=C(CN1CCCC1)NC/C=C/C[NH2+]CC1CCC2(CC2)CC1 ZINC001669188728 1081435956 /nfs/dbraw/zinc/43/59/56/1081435956.db2.gz ICETUCIUVRPRMF-OWOJBTEDSA-N 1 3 319.493 2.315 20 0 DEADHO CCC[NH2+]Cc1ccc(CNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001270082028 1081445673 /nfs/dbraw/zinc/44/56/73/1081445673.db2.gz NDCYCFRCUVRPOC-KRWDZBQOSA-N 1 3 305.466 2.389 20 0 DEADHO CN(CCC[NH2+]Cc1ccc(CF)cc1)C(=O)[C@H]1CCCN1C ZINC001670041460 1081492460 /nfs/dbraw/zinc/49/24/60/1081492460.db2.gz AZPZJLILQRDXKZ-QGZVFWFLSA-N 1 3 321.440 2.188 20 0 DEADHO CC1CC(C[NH2+]CC[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001672805828 1081629374 /nfs/dbraw/zinc/62/93/74/1081629374.db2.gz PXURADWUXBBZEE-CGZBRXJRSA-N 1 3 321.509 2.345 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](CC[NH2+]Cc2ccsc2)C1 ZINC001672868264 1081714202 /nfs/dbraw/zinc/71/42/02/1081714202.db2.gz HRTVQSUJBKHBDW-CYBMUJFWSA-N 1 3 318.446 2.042 20 0 DEADHO O=C(CN1CCCC1)N1CC[C@@H](CC[NH2+]Cc2ccccc2)C1 ZINC001672911512 1081720543 /nfs/dbraw/zinc/72/05/43/1081720543.db2.gz VUNHVEATNYFZRS-GOSISDBHSA-N 1 3 315.461 2.111 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC[C@H](C[NH2+]C/C=C\Cl)CC1)N(C)C ZINC001672970080 1081727626 /nfs/dbraw/zinc/72/76/26/1081727626.db2.gz MEVFVOBUFWZDQC-BGVKGVKJSA-N 1 3 315.889 2.344 20 0 DEADHO CC(C)C[C@H](CNCCF)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001482395474 1081791127 /nfs/dbraw/zinc/79/11/27/1081791127.db2.gz KQOPYKCSJOYRSM-JKSUJKDBSA-N 1 3 315.477 2.341 20 0 DEADHO C[C@H](C[NH2+]CCCC1CCCC1)N(C)C(=O)[C@H]1CCCN1C ZINC001270915510 1081837345 /nfs/dbraw/zinc/83/73/45/1081837345.db2.gz YIQXXDSMACSIFW-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO CN(CC(=O)N1CCC2(CCC[N@H+](C)C2)CC1)C1CCCC1 ZINC001271075423 1081896855 /nfs/dbraw/zinc/89/68/55/1081896855.db2.gz LBJAHDSFQXIUCR-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CN(CC(=O)N1CCC2(CCC[N@@H+](C)C2)CC1)C1CCCC1 ZINC001271075423 1081896858 /nfs/dbraw/zinc/89/68/58/1081896858.db2.gz LBJAHDSFQXIUCR-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC=C(C)C)C1)N(C)C ZINC001266459010 1082050811 /nfs/dbraw/zinc/05/08/11/1082050811.db2.gz IDRMQRCTJAEILO-DLBZAZTESA-N 1 3 309.498 2.463 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC=C(C)C)C1)N(C)C ZINC001266459010 1082050818 /nfs/dbraw/zinc/05/08/18/1082050818.db2.gz IDRMQRCTJAEILO-DLBZAZTESA-N 1 3 309.498 2.463 20 0 DEADHO CC/C=C/CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001266494003 1082073341 /nfs/dbraw/zinc/07/33/41/1082073341.db2.gz HZLIRIIJKQDRHM-WZDWLKHJSA-N 1 3 307.482 2.360 20 0 DEADHO CCCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001482502655 1082129483 /nfs/dbraw/zinc/12/94/83/1082129483.db2.gz NPNSEJIMMNQFCI-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001482502655 1082129484 /nfs/dbraw/zinc/12/94/84/1082129484.db2.gz NPNSEJIMMNQFCI-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CC[NH2+]CCN(Cc1ccccc1)C(=O)CN1[C@H](C)CC[C@H]1C ZINC001271827419 1082166061 /nfs/dbraw/zinc/16/60/61/1082166061.db2.gz ZPVYELBGSKTMJD-IAGOWNOFSA-N 1 3 317.477 2.498 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001271931026 1082197557 /nfs/dbraw/zinc/19/75/57/1082197557.db2.gz DZGXPJCRGIBZHK-QGZVFWFLSA-N 1 3 319.493 2.338 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001271931026 1082197561 /nfs/dbraw/zinc/19/75/61/1082197561.db2.gz DZGXPJCRGIBZHK-QGZVFWFLSA-N 1 3 319.493 2.338 20 0 DEADHO CC[C@@H](F)CNCCN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001266755003 1082323937 /nfs/dbraw/zinc/32/39/37/1082323937.db2.gz ZZAAGVNSKIVWON-CQSZACIVSA-N 1 3 315.477 2.436 20 0 DEADHO CC[C@@H](F)CNCCN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001266755003 1082323947 /nfs/dbraw/zinc/32/39/47/1082323947.db2.gz ZZAAGVNSKIVWON-CQSZACIVSA-N 1 3 315.477 2.436 20 0 DEADHO Cc1ccc(C)c(C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001266827982 1082375401 /nfs/dbraw/zinc/37/54/01/1082375401.db2.gz ITUZFJXPYIQGKB-GOSISDBHSA-N 1 3 319.493 2.438 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[N@H+](C)Cc1ccccc1C ZINC001482644632 1082433324 /nfs/dbraw/zinc/43/33/24/1082433324.db2.gz XCQQIZCGZXCHOB-UHFFFAOYSA-N 1 3 305.466 2.227 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[N@@H+](C)Cc1ccccc1C ZINC001482644632 1082433326 /nfs/dbraw/zinc/43/33/26/1082433326.db2.gz XCQQIZCGZXCHOB-UHFFFAOYSA-N 1 3 305.466 2.227 20 0 DEADHO C[C@H](CC[NH2+]CC=C(Cl)Cl)NC(=O)CN1CC[C@H](C)C1 ZINC001482870647 1082537962 /nfs/dbraw/zinc/53/79/62/1082537962.db2.gz FWSJVGSCZIJOHP-NWDGAFQWSA-N 1 3 322.280 2.132 20 0 DEADHO CC[C@H](C(=O)N(CC)CC[NH2+]Cc1ccccc1C)N(C)C ZINC001482963935 1082582623 /nfs/dbraw/zinc/58/26/23/1082582623.db2.gz SMMXFFOPXRHXTF-QGZVFWFLSA-N 1 3 305.466 2.273 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+][C@@H]1CCc2c1cccc2F ZINC001483198197 1082801973 /nfs/dbraw/zinc/80/19/73/1082801973.db2.gz YTBRMTCPZMULTQ-CXAGYDPISA-N 1 3 321.440 2.248 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[N@H+](C)CCc1ccccc1F ZINC001409682195 1083018704 /nfs/dbraw/zinc/01/87/04/1083018704.db2.gz GMOREUIJRJZANN-HNNXBMFYSA-N 1 3 323.456 2.145 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[N@@H+](C)CCc1ccccc1F ZINC001409682195 1083018709 /nfs/dbraw/zinc/01/87/09/1083018709.db2.gz GMOREUIJRJZANN-HNNXBMFYSA-N 1 3 323.456 2.145 20 0 DEADHO Cn1ncc(CNC2CCN(c3cc[nH+]cc3)CC2)c1Cl ZINC001413178889 1083413592 /nfs/dbraw/zinc/41/35/92/1083413592.db2.gz TWXTXGNPBWYODY-UHFFFAOYSA-N 1 3 305.813 2.227 20 0 DEADHO C[NH2+][C@@]12CC[C@@](NCc3ccccc3-n3cncn3)(C1)CCC2 ZINC001276875530 1083658453 /nfs/dbraw/zinc/65/84/53/1083658453.db2.gz CUTDETOLGRUEPY-ZWKOTPCHSA-N 1 3 311.433 2.422 20 0 DEADHO Cc1cccc(N2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)n1 ZINC001276981149 1083717359 /nfs/dbraw/zinc/71/73/59/1083717359.db2.gz QIMNJEUDABWYFF-GOSISDBHSA-N 1 3 302.466 2.244 20 0 DEADHO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]C/C=C\Cl)C1)N1CCCCC1 ZINC001490888764 1083792356 /nfs/dbraw/zinc/79/23/56/1083792356.db2.gz GDTUXFASZFHFAU-BPGCECMPSA-N 1 3 313.873 2.240 20 0 DEADHO CN(C)C(=O)CCN[C@@]12CC[C@@]([NH2+]C3CCCC3)(C1)CCC2 ZINC001277637068 1084068967 /nfs/dbraw/zinc/06/89/67/1084068967.db2.gz RATLMPNLBZZXPX-ZWKOTPCHSA-N 1 3 307.482 2.432 20 0 DEADHO CN(C)C1(C(=O)NC[C@@H]2CCC[N@H+](CCC3CC3)C2)CCC1 ZINC001491109546 1084082843 /nfs/dbraw/zinc/08/28/43/1084082843.db2.gz IUHRIDUUGJCTGX-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO CN(C)C1(C(=O)NC[C@@H]2CCC[N@@H+](CCC3CC3)C2)CCC1 ZINC001491109546 1084082851 /nfs/dbraw/zinc/08/28/51/1084082851.db2.gz IUHRIDUUGJCTGX-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO CC[C@H](C)C[C@H](N)C(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001649108470 1084126015 /nfs/dbraw/zinc/12/60/15/1084126015.db2.gz MGPVOEPULOFTDY-RDJZCZTQSA-N 1 3 317.477 2.269 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]3CC[C@]32C[NH3+])c1 ZINC001649112063 1084132328 /nfs/dbraw/zinc/13/23/28/1084132328.db2.gz RGPAWVGHMGFYEQ-WMZOPIPTSA-N 1 3 301.434 2.092 20 0 DEADHO COC(=O)CCN1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC001277864403 1084181807 /nfs/dbraw/zinc/18/18/07/1084181807.db2.gz FOUSUMZXSVBUFA-UHFFFAOYSA-N 1 3 302.418 2.029 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001491294133 1084218470 /nfs/dbraw/zinc/21/84/70/1084218470.db2.gz BHIJOEJBPVYLPA-RDJZCZTQSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001491294133 1084218477 /nfs/dbraw/zinc/21/84/77/1084218477.db2.gz BHIJOEJBPVYLPA-RDJZCZTQSA-N 1 3 309.498 2.345 20 0 DEADHO CCSCCN1CCC[C@@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC001277917299 1084279236 /nfs/dbraw/zinc/27/92/36/1084279236.db2.gz SLIUXXVCIXVOHJ-QGZVFWFLSA-N 1 3 322.522 2.424 20 0 DEADHO CCSCCN1CCC[C@@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC001277917299 1084279244 /nfs/dbraw/zinc/27/92/44/1084279244.db2.gz SLIUXXVCIXVOHJ-QGZVFWFLSA-N 1 3 322.522 2.424 20 0 DEADHO Cc1nnc(-c2ccc(C[N@H+]3C[C@H]4C[C@@]4(CN(C)C)C3)cc2)o1 ZINC001235066641 1084296004 /nfs/dbraw/zinc/29/60/04/1084296004.db2.gz QMQXQIPGPYBDEJ-SJLPKXTDSA-N 1 3 312.417 2.429 20 0 DEADHO Cc1nnc(-c2ccc(C[N@@H+]3C[C@H]4C[C@@]4(CN(C)C)C3)cc2)o1 ZINC001235066641 1084296013 /nfs/dbraw/zinc/29/60/13/1084296013.db2.gz QMQXQIPGPYBDEJ-SJLPKXTDSA-N 1 3 312.417 2.429 20 0 DEADHO Nc1cc(CN2CCC3(CC2)C[NH2+]Cc2ccccc23)ccn1 ZINC001235094383 1084310890 /nfs/dbraw/zinc/31/08/90/1084310890.db2.gz PNJBNFIQMBQLJM-UHFFFAOYSA-N 1 3 308.429 2.301 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1 ZINC001491473817 1084334414 /nfs/dbraw/zinc/33/44/14/1084334414.db2.gz MQPUTTBAJMQBKI-NVXWUHKLSA-N 1 3 303.450 2.155 20 0 DEADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(Cl)cc1 ZINC001491480716 1084337869 /nfs/dbraw/zinc/33/78/69/1084337869.db2.gz MBWOSMAUYUSHSY-CYBMUJFWSA-N 1 3 323.868 2.419 20 0 DEADHO C[C@H](Cc1ccc2c(c1)OCO2)CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235194537 1084341489 /nfs/dbraw/zinc/34/14/89/1084341489.db2.gz YNJKIJFHCLMQEG-FVQBIDKESA-N 1 3 302.418 2.135 20 0 DEADHO Cc1csc(CN2CCC[C@]23CCN(CC[NH+](C)C)C3=O)c1 ZINC001272871093 1084398783 /nfs/dbraw/zinc/39/87/83/1084398783.db2.gz ADXIBAVWUVFLRA-QGZVFWFLSA-N 1 3 321.490 2.185 20 0 DEADHO CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001277940481 1084411501 /nfs/dbraw/zinc/41/15/01/1084411501.db2.gz HRJARPXUTUBRTQ-RHSMWYFYSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)OCc1nn(CC2CC2)c2c1CN(CCCC[NH3+])CC2 ZINC001235489812 1084445294 /nfs/dbraw/zinc/44/52/94/1084445294.db2.gz UJBLSLACANOTGF-UHFFFAOYSA-N 1 3 320.481 2.315 20 0 DEADHO CCCOc1ccc(CN2CCC[C@H](N3CC([NH3+])C3)C2)cc1 ZINC001236073700 1084604678 /nfs/dbraw/zinc/60/46/78/1084604678.db2.gz POJLIKVTTOUGOO-KRWDZBQOSA-N 1 3 303.450 2.083 20 0 DEADHO Cc1c(CN(C)CCN2CC[NH2+]CC2)cccc1C(F)(F)F ZINC001236082844 1084608603 /nfs/dbraw/zinc/60/86/03/1084608603.db2.gz KHMGMYZAURBVDV-UHFFFAOYSA-N 1 3 315.383 2.351 20 0 DEADHO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC2)C12CCC2)N1CCCC1 ZINC001078700622 1084815611 /nfs/dbraw/zinc/81/56/11/1084815611.db2.gz ORDOSVPFDKAJBL-CVEARBPZSA-N 1 3 319.493 2.288 20 0 DEADHO CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001485923056 1084987120 /nfs/dbraw/zinc/98/71/20/1084987120.db2.gz WCRLHUQYWUDLAM-YOEHRIQHSA-N 1 3 315.477 2.436 20 0 DEADHO CC(C)[NH2+][C@@H](C)CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001485921667 1084987200 /nfs/dbraw/zinc/98/72/00/1084987200.db2.gz BWKWOMRUFQSDQJ-XJKSGUPXSA-N 1 3 301.450 2.044 20 0 DEADHO CC[NH2+][C@@H](CCNC(=O)C1(N(C)C)CCC1)Cc1ccccc1 ZINC001486187966 1085116356 /nfs/dbraw/zinc/11/63/56/1085116356.db2.gz CNOIHJJJSRTXIK-KRWDZBQOSA-N 1 3 317.477 2.198 20 0 DEADHO CC[NH2+]C[C@@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC000960222626 1085150306 /nfs/dbraw/zinc/15/03/06/1085150306.db2.gz JXDJNXIQFVPJCK-KRWDZBQOSA-N 1 3 303.450 2.352 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H](C[NH2+]CCF)C(C)(C)C)c1 ZINC001486423003 1085296675 /nfs/dbraw/zinc/29/66/75/1085296675.db2.gz DKBFCPJSVCKMPB-MRXNPFEDSA-N 1 3 323.456 2.452 20 0 DEADHO C[N@H+](CC1CC(C)(C)C1)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000961030287 1085544300 /nfs/dbraw/zinc/54/43/00/1085544300.db2.gz UAMRTHPOJRVPKC-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO C[N@@H+](CC1CC(C)(C)C1)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000961030287 1085544306 /nfs/dbraw/zinc/54/43/06/1085544306.db2.gz UAMRTHPOJRVPKC-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC1CCN(CC[C@H]2CCC[N@@H+]2CC2(O)CCOCC2)CC1 ZINC001413044877 1085651420 /nfs/dbraw/zinc/65/14/20/1085651420.db2.gz INBXXZAKJFXQIJ-QGZVFWFLSA-N 1 3 310.482 2.114 20 0 DEADHO CC1CCN(CC[C@H]2CCC[N@H+]2CC2(O)CCOCC2)CC1 ZINC001413044877 1085651423 /nfs/dbraw/zinc/65/14/23/1085651423.db2.gz INBXXZAKJFXQIJ-QGZVFWFLSA-N 1 3 310.482 2.114 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000961339498 1085695912 /nfs/dbraw/zinc/69/59/12/1085695912.db2.gz HMYSIYGENBVSAR-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000961339498 1085695921 /nfs/dbraw/zinc/69/59/21/1085695921.db2.gz HMYSIYGENBVSAR-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+](CC)C2)CC1)N(C)C ZINC000961380171 1085712016 /nfs/dbraw/zinc/71/20/16/1085712016.db2.gz ZHIUKVHKHNVAOZ-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+](CC)C2)CC1)N(C)C ZINC000961380171 1085712022 /nfs/dbraw/zinc/71/20/22/1085712022.db2.gz ZHIUKVHKHNVAOZ-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO [NH3+]CCCCN1CCN([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168713469 1085841634 /nfs/dbraw/zinc/84/16/34/1085841634.db2.gz BSHDYSJAEZVSFS-HNNXBMFYSA-N 1 3 307.869 2.164 20 0 DEADHO CN1CCN(C(=[NH2+])Nc2nnc(Cl)c3cccc(F)c32)CC1 ZINC001168736113 1086108718 /nfs/dbraw/zinc/10/87/18/1086108718.db2.gz JQFHPICRAQVEFS-UHFFFAOYSA-N 1 3 322.775 2.016 20 0 DEADHO CN1CCN(CC[NH2+]C2CCC3(CSC3)CC2)CC1(C)C ZINC001364704712 1086178905 /nfs/dbraw/zinc/17/89/05/1086178905.db2.gz QTGVKMVRVIQGFB-UHFFFAOYSA-N 1 3 311.539 2.278 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+][C@@H](C)c1ccccc1C ZINC001128533067 1086186014 /nfs/dbraw/zinc/18/60/14/1086186014.db2.gz FVJVGWAAZRULGB-DOTOQJQBSA-N 1 3 323.456 2.442 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963313642 1086402802 /nfs/dbraw/zinc/40/28/02/1086402802.db2.gz HFMSXVYWUVWANT-JKSUJKDBSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963313642 1086402806 /nfs/dbraw/zinc/40/28/06/1086402806.db2.gz HFMSXVYWUVWANT-JKSUJKDBSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCN3C(C)C)C2)C1 ZINC000963788823 1086559286 /nfs/dbraw/zinc/55/92/86/1086559286.db2.gz SPSGAIYKDQLAMP-LMBQMVEXSA-N 1 3 307.482 2.285 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+][C@@H]1CCc2c1cccc2F ZINC001168764324 1087702592 /nfs/dbraw/zinc/70/25/92/1087702592.db2.gz YNIYWMOUPKVMAW-QGZVFWFLSA-N 1 3 321.440 2.251 20 0 DEADHO CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000957516759 1088369548 /nfs/dbraw/zinc/36/95/48/1088369548.db2.gz BKEMGCINQXSHIZ-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)C[NH+]1CCC2(CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000957644912 1088492572 /nfs/dbraw/zinc/49/25/72/1088492572.db2.gz NWPXINPRRZFMGR-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001080188965 1088671965 /nfs/dbraw/zinc/67/19/65/1088671965.db2.gz ZDQBDMBSVXUKNT-DJIMGWMZSA-N 1 3 307.482 2.097 20 0 DEADHO CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001080188965 1088671971 /nfs/dbraw/zinc/67/19/71/1088671971.db2.gz ZDQBDMBSVXUKNT-DJIMGWMZSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21 ZINC001114831938 1088920048 /nfs/dbraw/zinc/92/00/48/1088920048.db2.gz INCARZWDQVFBMI-LISAXSMJSA-N 1 3 321.509 2.343 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21 ZINC001114831938 1088920066 /nfs/dbraw/zinc/92/00/66/1088920066.db2.gz INCARZWDQVFBMI-LISAXSMJSA-N 1 3 321.509 2.343 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCc2ccccc2[C@@H]1C[NH2+]CC1CC1 ZINC000958803555 1089192798 /nfs/dbraw/zinc/19/27/98/1089192798.db2.gz XRHVUZJXQMFQLE-SFHVURJKSA-N 1 3 324.428 2.078 20 0 DEADHO CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1c1ccccc1 ZINC001081129972 1089361979 /nfs/dbraw/zinc/36/19/79/1089361979.db2.gz PHUJOXANODGSFL-KSZLIROESA-N 1 3 317.477 2.177 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CC1=CCCCC1 ZINC001082740982 1090067171 /nfs/dbraw/zinc/06/71/71/1090067171.db2.gz MGKGQCUEHFCVDN-JFIYKMOQSA-N 1 3 319.493 2.408 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CCC3)C[C@H]21 ZINC001084338194 1090269833 /nfs/dbraw/zinc/26/98/33/1090269833.db2.gz ITTKYPULPNQGEN-FGTMMUONSA-N 1 3 319.493 2.192 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CCC3)C[C@H]21 ZINC001084338194 1090269842 /nfs/dbraw/zinc/26/98/42/1090269842.db2.gz ITTKYPULPNQGEN-FGTMMUONSA-N 1 3 319.493 2.192 20 0 DEADHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]C/C=C\c1ccccc1 ZINC001274264303 1091157502 /nfs/dbraw/zinc/15/75/02/1091157502.db2.gz XTFAGTYTCMUYJR-YRUDQSAHSA-N 1 3 313.445 2.056 20 0 DEADHO C[C@H]1C[C@@H](C(=O)NC/C=C\CNCc2ccsc2)CC[N@@H+]1C ZINC001274310402 1091182116 /nfs/dbraw/zinc/18/21/16/1091182116.db2.gz QHHFELNEDBINCQ-XJNRFOTBSA-N 1 3 321.490 2.240 20 0 DEADHO C[C@H]1C[C@@H](C(=O)NC/C=C\CNCc2ccsc2)CC[N@H+]1C ZINC001274310402 1091182118 /nfs/dbraw/zinc/18/21/18/1091182118.db2.gz QHHFELNEDBINCQ-XJNRFOTBSA-N 1 3 321.490 2.240 20 0 DEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]1CCCN1C(C)C ZINC001412191784 1091216436 /nfs/dbraw/zinc/21/64/36/1091216436.db2.gz OQEPMYWLVFLCGA-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N(CC[N@@H+](C)CC[C@H](C)F)C(=O)CN1CC[C@@H](C)C1 ZINC001411195703 1091405472 /nfs/dbraw/zinc/40/54/72/1091405472.db2.gz RWSQLMUKKYRNOB-CVEARBPZSA-N 1 3 315.477 2.245 20 0 DEADHO CC(C)N(CC[N@H+](C)CC[C@H](C)F)C(=O)CN1CC[C@@H](C)C1 ZINC001411195703 1091405478 /nfs/dbraw/zinc/40/54/78/1091405478.db2.gz RWSQLMUKKYRNOB-CVEARBPZSA-N 1 3 315.477 2.245 20 0 DEADHO Cc1c[nH]c(CN2CCC[C@@]3(CC[N@@H+](CCN(C)C)C3)C2)c1C ZINC001276140328 1091592586 /nfs/dbraw/zinc/59/25/86/1091592586.db2.gz XETCVAPJQGPNJN-IBGZPJMESA-N 1 3 318.509 2.481 20 0 DEADHO Cc1c[nH]c(CN2CCC[C@@]3(CC[N@H+](CCN(C)C)C3)C2)c1C ZINC001276140328 1091592595 /nfs/dbraw/zinc/59/25/95/1091592595.db2.gz XETCVAPJQGPNJN-IBGZPJMESA-N 1 3 318.509 2.481 20 0 DEADHO CN(C)CC[N@@H+]1CCC2(CN(Cc3cccc4cc[nH]c43)C2)C1 ZINC001275165224 1091595889 /nfs/dbraw/zinc/59/58/89/1091595889.db2.gz ZBLDXIMOJGKIAE-UHFFFAOYSA-N 1 3 312.461 2.237 20 0 DEADHO CN(C)CC[N@H+]1CCC2(CN(Cc3cccc4cc[nH]c43)C2)C1 ZINC001275165224 1091595902 /nfs/dbraw/zinc/59/59/02/1091595902.db2.gz ZBLDXIMOJGKIAE-UHFFFAOYSA-N 1 3 312.461 2.237 20 0 DEADHO Cc1ccc(CN2CCC[C@@]3(CC[N@@H+](CCN(C)C)C3)C2)o1 ZINC001275240376 1091630992 /nfs/dbraw/zinc/63/09/92/1091630992.db2.gz OJHVBDWXGCPNHP-SFHVURJKSA-N 1 3 305.466 2.438 20 0 DEADHO Cc1ccc(CN2CCC[C@@]3(CC[N@H+](CCN(C)C)C3)C2)o1 ZINC001275240376 1091630996 /nfs/dbraw/zinc/63/09/96/1091630996.db2.gz OJHVBDWXGCPNHP-SFHVURJKSA-N 1 3 305.466 2.438 20 0 DEADHO Cc1c(F)cccc1CN1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001276171367 1091631776 /nfs/dbraw/zinc/63/17/76/1091631776.db2.gz MIXLZFUYZGPUTI-UHFFFAOYSA-N 1 3 305.441 2.203 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]C/C=C/Cl)C1 ZINC001275331678 1091675059 /nfs/dbraw/zinc/67/50/59/1091675059.db2.gz OQINMDVBZVYAHB-SOWXMWJSSA-N 1 3 313.873 2.098 20 0 DEADHO CN(C)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2C[C@H]1CC=CCC1 ZINC001273517181 1091898182 /nfs/dbraw/zinc/89/81/82/1091898182.db2.gz YYXYTWKPTXFZSS-PKOBYXMFSA-N 1 3 319.493 2.361 20 0 DEADHO CN(C)CCN1C[C@]2(CC1=O)CCCC[N@H+]2C[C@H]1CC=CCC1 ZINC001273517181 1091898193 /nfs/dbraw/zinc/89/81/93/1091898193.db2.gz YYXYTWKPTXFZSS-PKOBYXMFSA-N 1 3 319.493 2.361 20 0 DEADHO CCCC[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000948765931 1091922766 /nfs/dbraw/zinc/92/27/66/1091922766.db2.gz DVACRBKEIWOEPI-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@H+]1CCC[C@@H](N(C)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000948765931 1091922776 /nfs/dbraw/zinc/92/27/76/1091922776.db2.gz DVACRBKEIWOEPI-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](N(C)C(=O)CN2CCC[C@@H]2C)CC1 ZINC000948775509 1091929439 /nfs/dbraw/zinc/92/94/39/1091929439.db2.gz KBTVLCPSUXBYFZ-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](N(C)C(=O)CN2CCC[C@@H]2C)CC1 ZINC000948775509 1091929446 /nfs/dbraw/zinc/92/94/46/1091929446.db2.gz KBTVLCPSUXBYFZ-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CSc1ccc(CN2CC[C@H]3C[N@H+](CCN(C)C)C[C@H]32)cc1 ZINC001275900928 1092281982 /nfs/dbraw/zinc/28/19/82/1092281982.db2.gz OKUDJDNOMCZECR-FUHWJXTLSA-N 1 3 319.518 2.476 20 0 DEADHO CSc1ccc(CN2CC[C@H]3C[N@@H+](CCN(C)C)C[C@H]32)cc1 ZINC001275900928 1092281993 /nfs/dbraw/zinc/28/19/93/1092281993.db2.gz OKUDJDNOMCZECR-FUHWJXTLSA-N 1 3 319.518 2.476 20 0 DEADHO C[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C)c1cccc(F)c1 ZINC001275914698 1092300898 /nfs/dbraw/zinc/30/08/98/1092300898.db2.gz AOQGHSJTZDDWCA-PBHICJAKSA-N 1 3 321.440 2.419 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001488772766 1092744289 /nfs/dbraw/zinc/74/42/89/1092744289.db2.gz MUGKDYVJRDFIGA-RYQLBKOJSA-N 1 3 321.509 2.393 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2CCC[N@H+](CCC)[C@H]2C1(C)C ZINC001489084395 1092908514 /nfs/dbraw/zinc/90/85/14/1092908514.db2.gz HLOHCKYKFZMDNR-DJIMGWMZSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2CCC[N@@H+](CCC)[C@H]2C1(C)C ZINC001489084395 1092908527 /nfs/dbraw/zinc/90/85/27/1092908527.db2.gz HLOHCKYKFZMDNR-DJIMGWMZSA-N 1 3 309.498 2.343 20 0 DEADHO Nc1ccc2c(c1)CN(Cc1ccccc1N1CC[NH2+]CC1)CC2 ZINC001236233212 1138341915 /nfs/dbraw/zinc/34/19/15/1138341915.db2.gz SEFMLHPXOJLXLI-UHFFFAOYSA-N 1 3 322.456 2.237 20 0 DEADHO CC(C)Oc1cc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(F)cn1 ZINC001236322036 1138352003 /nfs/dbraw/zinc/35/20/03/1138352003.db2.gz SXJFFPNKWKXROB-OKILXGFUSA-N 1 3 307.413 2.439 20 0 DEADHO CCOC(=O)[C@@H]1CN(Cc2ccc(C)c(F)c2)CCC12C[NH2+]C2 ZINC001237432493 1138621172 /nfs/dbraw/zinc/62/11/72/1138621172.db2.gz YLLQQZVYZXITIR-HNNXBMFYSA-N 1 3 320.408 2.109 20 0 DEADHO COC(=O)c1ccc(CN(C)CC2CC[NH+](C(C)C)CC2)cn1 ZINC001237446787 1138630606 /nfs/dbraw/zinc/63/06/06/1138630606.db2.gz UJEXPJIDXINCQX-UHFFFAOYSA-N 1 3 319.449 2.420 20 0 DEADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1cncc(C2CC2)c1 ZINC001238184710 1138833320 /nfs/dbraw/zinc/83/33/20/1138833320.db2.gz KUZIPOLCVGEBEJ-RBUKOAKNSA-N 1 3 314.477 2.169 20 0 DEADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1cncc(C2CC2)c1 ZINC001238184710 1138833321 /nfs/dbraw/zinc/83/33/21/1138833321.db2.gz KUZIPOLCVGEBEJ-RBUKOAKNSA-N 1 3 314.477 2.169 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CCF)C1CCCC1 ZINC001278240740 1138852544 /nfs/dbraw/zinc/85/25/44/1138852544.db2.gz FMRKSXGUXYIWLK-HZPDHXFCSA-N 1 3 313.461 2.095 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CNCCF)C1CCCC1 ZINC001278240740 1138852547 /nfs/dbraw/zinc/85/25/47/1138852547.db2.gz FMRKSXGUXYIWLK-HZPDHXFCSA-N 1 3 313.461 2.095 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](CNCCF)C1CCCC1 ZINC001278240740 1138852548 /nfs/dbraw/zinc/85/25/48/1138852548.db2.gz FMRKSXGUXYIWLK-HZPDHXFCSA-N 1 3 313.461 2.095 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCF)C1CCCC1 ZINC001278240739 1138852714 /nfs/dbraw/zinc/85/27/14/1138852714.db2.gz FMRKSXGUXYIWLK-HOTGVXAUSA-N 1 3 313.461 2.095 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CNCCF)C1CCCC1 ZINC001278240739 1138852715 /nfs/dbraw/zinc/85/27/15/1138852715.db2.gz FMRKSXGUXYIWLK-HOTGVXAUSA-N 1 3 313.461 2.095 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CNCCF)C1CCCC1 ZINC001278240739 1138852716 /nfs/dbraw/zinc/85/27/16/1138852716.db2.gz FMRKSXGUXYIWLK-HOTGVXAUSA-N 1 3 313.461 2.095 20 0 DEADHO CCc1cccc(CC)c1NC(=O)NCCC[NH2+]CCCN ZINC001239253174 1139004904 /nfs/dbraw/zinc/00/49/04/1139004904.db2.gz QXHXIWHEFMZOAP-UHFFFAOYSA-N 1 3 306.454 2.261 20 0 DEADHO NCCC[NH2+]CCCNC(=O)Oc1ccc2ccccc2c1 ZINC001239325641 1139021223 /nfs/dbraw/zinc/02/12/23/1139021223.db2.gz XTRAUMWFUBZAEP-UHFFFAOYSA-N 1 3 301.390 2.257 20 0 DEADHO C[C@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCC1CC1 ZINC001491579980 1140172770 /nfs/dbraw/zinc/17/27/70/1140172770.db2.gz PJEULYVUMRWBPL-CXAGYDPISA-N 1 3 313.461 2.093 20 0 DEADHO CCCC[C@H](CC)COC[C@H](O)CNC[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001245987083 1140842292 /nfs/dbraw/zinc/84/22/92/1140842292.db2.gz BDWLEMJRXOVJOX-XLAORIBOSA-N 1 3 314.514 2.416 20 0 DEADHO F[C@@H]1CNCC[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001246084534 1140858541 /nfs/dbraw/zinc/85/85/41/1140858541.db2.gz FQTXWTURERSQFB-UJWQCDCRSA-N 1 3 317.452 2.472 20 0 DEADHO F[C@@H]1CNCC[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246084534 1140858542 /nfs/dbraw/zinc/85/85/42/1140858542.db2.gz FQTXWTURERSQFB-UJWQCDCRSA-N 1 3 317.452 2.472 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001320463473 1140868564 /nfs/dbraw/zinc/86/85/64/1140868564.db2.gz HZTLRWOZCBKCPB-XJKSGUPXSA-N 1 3 309.429 2.150 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]C2CCN(c3ncccc3Cl)CC2)CCN1 ZINC001246239261 1140876421 /nfs/dbraw/zinc/87/64/21/1140876421.db2.gz IQVSSHMBTFZUEE-JSGCOSHPSA-N 1 3 308.857 2.434 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001320553556 1140878860 /nfs/dbraw/zinc/87/88/60/1140878860.db2.gz ULMBOZFKBSWVFU-RDJZCZTQSA-N 1 3 305.466 2.320 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001320605708 1140884953 /nfs/dbraw/zinc/88/49/53/1140884953.db2.gz DKZLSCLQMUPAHW-PBHICJAKSA-N 1 3 323.456 2.459 20 0 DEADHO Fc1cccc(CN2CCC(N[C@H]3CCC[NH2+]C3)CC2)c1F ZINC001246354927 1140887270 /nfs/dbraw/zinc/88/72/70/1140887270.db2.gz IZJBIPXDHWNXQX-HNNXBMFYSA-N 1 3 309.404 2.271 20 0 DEADHO C[C@@]1(N)CC[N@@H+]([C@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001246531730 1140939290 /nfs/dbraw/zinc/93/92/90/1140939290.db2.gz SQQALGAIRUXNSZ-FUHWJXTLSA-N 1 3 301.434 2.104 20 0 DEADHO C[C@@]1(N)CC[N@H+]([C@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001246531730 1140939297 /nfs/dbraw/zinc/93/92/97/1140939297.db2.gz SQQALGAIRUXNSZ-FUHWJXTLSA-N 1 3 301.434 2.104 20 0 DEADHO CCOC(=O)c1ccc(C[C@H](C)[N@@H+]2CCNC[C@H](C)C2)cc1 ZINC001246575940 1140979652 /nfs/dbraw/zinc/97/96/52/1140979652.db2.gz YATPGRYWGWGJPK-GJZGRUSLSA-N 1 3 304.434 2.336 20 0 DEADHO CCOC(=O)c1ccc(C[C@H](C)[N@H+]2CCNC[C@H](C)C2)cc1 ZINC001246575940 1140979659 /nfs/dbraw/zinc/97/96/59/1140979659.db2.gz YATPGRYWGWGJPK-GJZGRUSLSA-N 1 3 304.434 2.336 20 0 DEADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCC[C@H](CN)C1)C2 ZINC001246589270 1140994316 /nfs/dbraw/zinc/99/43/16/1140994316.db2.gz DTPYTJSLEMZGTF-WCVJEAGWSA-N 1 3 309.454 2.199 20 0 DEADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCC[C@H](CN)C1)C2 ZINC001246589270 1140994326 /nfs/dbraw/zinc/99/43/26/1140994326.db2.gz DTPYTJSLEMZGTF-WCVJEAGWSA-N 1 3 309.454 2.199 20 0 DEADHO CCOC(=O)[C@@]12C[N@@H+]([C@H]3CCC[C@H](C)C3)C[C@@H]1CNCCC2 ZINC001246599257 1140997271 /nfs/dbraw/zinc/99/72/71/1140997271.db2.gz BRVFBYLDMOARFC-OVWQWFNUSA-N 1 3 308.466 2.430 20 0 DEADHO CCOC(=O)[C@@]12C[N@H+]([C@H]3CCC[C@H](C)C3)C[C@@H]1CNCCC2 ZINC001246599257 1140997279 /nfs/dbraw/zinc/99/72/79/1140997279.db2.gz BRVFBYLDMOARFC-OVWQWFNUSA-N 1 3 308.466 2.430 20 0 DEADHO Brc1cccc([C@@H]2CN([C@H]3CCC[NH2+]C3)CCN2)c1 ZINC001246807353 1141067730 /nfs/dbraw/zinc/06/77/30/1141067730.db2.gz QMJTWNNOUVTJPR-GJZGRUSLSA-N 1 3 324.266 2.147 20 0 DEADHO Brc1cccc([C@@H]2CN([C@@H]3CCC[NH2+]C3)CCN2)c1 ZINC001246807351 1141068444 /nfs/dbraw/zinc/06/84/44/1141068444.db2.gz QMJTWNNOUVTJPR-CABCVRRESA-N 1 3 324.266 2.147 20 0 DEADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NCc1ccnn1-c1ccncc1 ZINC001414069317 1141315984 /nfs/dbraw/zinc/31/59/84/1141315984.db2.gz BKFPYOORBIDBAB-JKSUJKDBSA-N 1 3 313.449 2.477 20 0 DEADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NCc1ccnn1-c1ccncc1 ZINC001414069317 1141315989 /nfs/dbraw/zinc/31/59/89/1141315989.db2.gz BKFPYOORBIDBAB-JKSUJKDBSA-N 1 3 313.449 2.477 20 0 DEADHO CC(C)O[C@H]1CCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252931233 1142831465 /nfs/dbraw/zinc/83/14/65/1142831465.db2.gz IHIPWCXHKYVOAJ-OALUTQOASA-N 1 3 318.461 2.123 20 0 DEADHO CC(C)O[C@H]1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252931233 1142831467 /nfs/dbraw/zinc/83/14/67/1142831467.db2.gz IHIPWCXHKYVOAJ-OALUTQOASA-N 1 3 318.461 2.123 20 0 DEADHO CCN(CC)C[C@@H](O)C[NH2+]CCSCc1ccc(F)cc1 ZINC001253202928 1142853419 /nfs/dbraw/zinc/85/34/19/1142853419.db2.gz CKEKKSPOGUFYJZ-INIZCTEOSA-N 1 3 314.470 2.351 20 0 DEADHO CC[NH+](CC)C[C@H](O)CNCCc1c[nH]c2ccc(F)cc12 ZINC001253204643 1142853871 /nfs/dbraw/zinc/85/38/71/1142853871.db2.gz SQFJUZBWHJWUNW-OAHLLOKOSA-N 1 3 307.413 2.142 20 0 DEADHO CC[NH+](CC)C[C@H](O)CNCC1(c2ccccc2)CCOCC1 ZINC001253215210 1142855352 /nfs/dbraw/zinc/85/53/52/1142855352.db2.gz VXIMMTKNLNGJMQ-GOSISDBHSA-N 1 3 320.477 2.027 20 0 DEADHO C[N@H+](CCCN1CCCC1)C[C@@H](O)CCOCc1ccccc1 ZINC001253274528 1142860789 /nfs/dbraw/zinc/86/07/89/1142860789.db2.gz JAXPXRNAJXTXLF-IBGZPJMESA-N 1 3 320.477 2.372 20 0 DEADHO C[N@@H+](CCCN1CCCC1)C[C@@H](O)CCOCc1ccccc1 ZINC001253274528 1142860791 /nfs/dbraw/zinc/86/07/91/1142860791.db2.gz JAXPXRNAJXTXLF-IBGZPJMESA-N 1 3 320.477 2.372 20 0 DEADHO CN1CCC[C@H]1CC[NH2+]C[C@@H](O)CCOCc1ccccc1 ZINC001253289175 1142861496 /nfs/dbraw/zinc/86/14/96/1142861496.db2.gz KSKPRBBHYAHHRK-ROUUACIJSA-N 1 3 306.450 2.028 20 0 DEADHO C[N@@H+]1CCC[C@H]1CCNC[C@@H](O)CCOCc1ccccc1 ZINC001253289175 1142861497 /nfs/dbraw/zinc/86/14/97/1142861497.db2.gz KSKPRBBHYAHHRK-ROUUACIJSA-N 1 3 306.450 2.028 20 0 DEADHO C[N@H+]1CCC[C@H]1CCNC[C@@H](O)CCOCc1ccccc1 ZINC001253289175 1142861500 /nfs/dbraw/zinc/86/15/00/1142861500.db2.gz KSKPRBBHYAHHRK-ROUUACIJSA-N 1 3 306.450 2.028 20 0 DEADHO CC(C)(C)NC[C@@H](O)C[NH2+]C([Si](C)(C)C)[Si](C)(C)C ZINC001253409414 1142869882 /nfs/dbraw/zinc/86/98/82/1142869882.db2.gz RYCKUIPALFARLH-LBPRGKRZSA-N 1 3 304.627 2.448 20 0 DEADHO O=C1CCC([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001254049900 1143030660 /nfs/dbraw/zinc/03/06/60/1143030660.db2.gz RGTUAVMTZSKLCM-UHFFFAOYSA-N 1 3 316.445 2.115 20 0 DEADHO CC1(C)C[C@H](C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)O1 ZINC001254049801 1143031501 /nfs/dbraw/zinc/03/15/01/1143031501.db2.gz MYXDSTDSLVWDER-QGZVFWFLSA-N 1 3 318.461 2.171 20 0 DEADHO CC(=O)N1CCC([N@@H+]2CCCC[C@@H]2CCN2CCCC2)CC1 ZINC001254427538 1143112839 /nfs/dbraw/zinc/11/28/39/1143112839.db2.gz VYSFSSULUNYUQD-QGZVFWFLSA-N 1 3 307.482 2.338 20 0 DEADHO CC(=O)N1CCC([N@H+]2CCCC[C@@H]2CCN2CCCC2)CC1 ZINC001254427538 1143112847 /nfs/dbraw/zinc/11/28/47/1143112847.db2.gz VYSFSSULUNYUQD-QGZVFWFLSA-N 1 3 307.482 2.338 20 0 DEADHO CN1CCC[C@H]([NH+]2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254527017 1143211330 /nfs/dbraw/zinc/21/13/30/1143211330.db2.gz VLXLDZPSRIIJEK-HNNXBMFYSA-N 1 3 323.481 2.460 20 0 DEADHO COc1cc(OC2CCN([C@H]3CCC[N@H+](C)CC3)CC2)ccn1 ZINC001254534561 1143233907 /nfs/dbraw/zinc/23/39/07/1143233907.db2.gz XBUYQTFFCSIXOC-HNNXBMFYSA-N 1 3 319.449 2.418 20 0 DEADHO COc1cc(OC2CCN([C@H]3CCC[N@@H+](C)CC3)CC2)ccn1 ZINC001254534561 1143233931 /nfs/dbraw/zinc/23/39/31/1143233931.db2.gz XBUYQTFFCSIXOC-HNNXBMFYSA-N 1 3 319.449 2.418 20 0 DEADHO C[C@H](CN)C[N@H+](C)[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254765982 1143321195 /nfs/dbraw/zinc/32/11/95/1143321195.db2.gz BSFGJNHWAWXURV-ZIAGYGMSSA-N 1 3 311.470 2.303 20 0 DEADHO C[C@H](CN)C[N@@H+](C)[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254765982 1143321200 /nfs/dbraw/zinc/32/12/00/1143321200.db2.gz BSFGJNHWAWXURV-ZIAGYGMSSA-N 1 3 311.470 2.303 20 0 DEADHO c1cc(CN2CCCN([C@H]3CC4CC[NH+](CC4)C3)CC2)ccn1 ZINC001254853677 1143339047 /nfs/dbraw/zinc/33/90/47/1143339047.db2.gz QWQJXMZZWFCWKM-IBGZPJMESA-N 1 3 314.477 2.074 20 0 DEADHO FC(F)(F)c1nn([C@@H]2CC3CC[NH+](CC3)C2)c2c1CNCC2 ZINC001254863282 1143343114 /nfs/dbraw/zinc/34/31/14/1143343114.db2.gz BLYKBFZZVGXPRC-LLVKDONJSA-N 1 3 314.355 2.204 20 0 DEADHO O=C(C[NH2+][C@H]1CCCN(Cc2ccccc2)CC1)N1CCCC1 ZINC001255382479 1143586917 /nfs/dbraw/zinc/58/69/17/1143586917.db2.gz CKXQAPOYUPBATQ-SFHVURJKSA-N 1 3 315.461 2.253 20 0 DEADHO COc1ccc([C@@H](CO)[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC001255669169 1143800754 /nfs/dbraw/zinc/80/07/54/1143800754.db2.gz RHBZBIZQLDXIGT-YCXXCVGLSA-N 1 3 304.434 2.334 20 0 DEADHO Cc1nccnc1O[C@@H]1CCN(C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001255684280 1143801865 /nfs/dbraw/zinc/80/18/65/1143801865.db2.gz XAXUBYMTLRSHPC-FCLJQHQZSA-N 1 3 316.449 2.253 20 0 DEADHO Cc1nccnc1O[C@@H]1CCN(C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001255684280 1143801867 /nfs/dbraw/zinc/80/18/67/1143801867.db2.gz XAXUBYMTLRSHPC-FCLJQHQZSA-N 1 3 316.449 2.253 20 0 DEADHO Cc1ccc(C[C@H](C)N2CCN(CCC[NH+](C)C)CC2)cc1 ZINC001255793454 1143806738 /nfs/dbraw/zinc/80/67/38/1143806738.db2.gz NGHVKBPDKVPSOA-SFHVURJKSA-N 1 3 303.494 2.495 20 0 DEADHO CN(C)C[C@H](NC(=O)/C=C\[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC001342281276 1143809059 /nfs/dbraw/zinc/80/90/59/1143809059.db2.gz QXSWRPXWLNOUDS-GZGBJPPESA-N 1 3 319.424 2.100 20 0 DEADHO CCOC(=O)N1CC[C@H]([NH2+]C2CCN(CC3CCC3)CC2)C1 ZINC001256023867 1143822547 /nfs/dbraw/zinc/82/25/47/1143822547.db2.gz VMZUUCSADYSWAV-INIZCTEOSA-N 1 3 309.454 2.071 20 0 DEADHO CCOC1CCC(N2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC001256444309 1143849233 /nfs/dbraw/zinc/84/92/33/1143849233.db2.gz PLLUALJZKQZBBA-UHFFFAOYSA-N 1 3 309.498 2.048 20 0 DEADHO CN(CC[NH2+]C1CCC(N2CCOCC2)CC1)c1ccccc1 ZINC001256678996 1143861806 /nfs/dbraw/zinc/86/18/06/1143861806.db2.gz YQHQYMLHZWQFMW-UHFFFAOYSA-N 1 3 317.477 2.356 20 0 DEADHO c1cn2cc(C[NH2+]C3CCC(N4CCOCC4)CC3)ccc2n1 ZINC001256687689 1143862428 /nfs/dbraw/zinc/86/24/28/1143862428.db2.gz FNBUEWFKKKUPIO-UHFFFAOYSA-N 1 3 314.433 2.067 20 0 DEADHO CCC1(C[NH2+]C2CCC(N3CCOCC3)CC2)CCOCC1 ZINC001256687028 1143862583 /nfs/dbraw/zinc/86/25/83/1143862583.db2.gz KHCUGDROLLSNMB-UHFFFAOYSA-N 1 3 310.482 2.426 20 0 DEADHO CC(C)C(=O)N1CC[C@@H]2CN(C3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC001257217591 1143894037 /nfs/dbraw/zinc/89/40/37/1143894037.db2.gz UPKFTBNCPPUPPT-AEFFLSMTSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)[NH+]1CCC(N2C[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)CC1 ZINC001257224163 1143894876 /nfs/dbraw/zinc/89/48/76/1143894876.db2.gz QLJQLMHRZMFVRC-GOEBONIOSA-N 1 3 323.481 2.410 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C[NH2+]CC[C@H](C)F)C(C)(C)C ZINC001279028064 1143937964 /nfs/dbraw/zinc/93/79/64/1143937964.db2.gz MMCINAAYBMGLFY-SMDDNHRTSA-N 1 3 312.433 2.129 20 0 DEADHO CN1CCN(Cc2cccc(C[NH2+][C@@H]3CCCSC3)c2)CC1 ZINC001257660403 1143942605 /nfs/dbraw/zinc/94/26/05/1143942605.db2.gz ZIXNJYSQGTURMG-GOSISDBHSA-N 1 3 319.518 2.419 20 0 DEADHO CCOC(=O)CCC[C@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC001258117718 1143973284 /nfs/dbraw/zinc/97/32/84/1143973284.db2.gz NVEXGBBAKRNXCE-HNNXBMFYSA-N 1 3 305.422 2.326 20 0 DEADHO C[C@@H](Cc1ccco1)N[C@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001258177812 1143980888 /nfs/dbraw/zinc/98/08/88/1143980888.db2.gz FGZNKGIYEOOHIL-JSGCOSHPSA-N 1 3 311.426 2.390 20 0 DEADHO CCC[NH+]1CCC(NCCC(=O)N2CCc3ccccc32)CC1 ZINC001258767227 1144038770 /nfs/dbraw/zinc/03/87/70/1144038770.db2.gz XPHDGHRUQOOXLA-UHFFFAOYSA-N 1 3 315.461 2.430 20 0 DEADHO CCC[N@H+](CC)Cc1ccc(C(=O)NOCCN(C)C)cc1 ZINC001261741117 1144274569 /nfs/dbraw/zinc/27/45/69/1144274569.db2.gz DJRIQCKCPGGDLZ-UHFFFAOYSA-N 1 3 307.438 2.142 20 0 DEADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NOCCN(C)C)cc1 ZINC001261741117 1144274573 /nfs/dbraw/zinc/27/45/73/1144274573.db2.gz DJRIQCKCPGGDLZ-UHFFFAOYSA-N 1 3 307.438 2.142 20 0 DEADHO C[NH2+]CCCCC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC001263121277 1144357242 /nfs/dbraw/zinc/35/72/42/1144357242.db2.gz SXSZEINNBUXQCN-HNNXBMFYSA-N 1 3 318.465 2.113 20 0 DEADHO CCCCCCN1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001263809835 1144397693 /nfs/dbraw/zinc/39/76/93/1144397693.db2.gz PNWYIWADZRHYCQ-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCC/C=C/CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001263820600 1144400627 /nfs/dbraw/zinc/40/06/27/1144400627.db2.gz CGNMSLYJJOQTQC-YMPXZSTISA-N 1 3 307.482 2.217 20 0 DEADHO CCC/C=C/CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001263820600 1144400630 /nfs/dbraw/zinc/40/06/30/1144400630.db2.gz CGNMSLYJJOQTQC-YMPXZSTISA-N 1 3 307.482 2.217 20 0 DEADHO CC(C)C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001263954843 1144431990 /nfs/dbraw/zinc/43/19/90/1144431990.db2.gz CVZDEFPEAHSZCI-GOEBONIOSA-N 1 3 306.454 2.215 20 0 DEADHO CC/C=C/CC[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001264403180 1144529852 /nfs/dbraw/zinc/52/98/52/1144529852.db2.gz HBGZATLBAQQHFT-KUFDGEAHSA-N 1 3 307.482 2.169 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH2+]CCF)N(C)C ZINC001264576278 1144570929 /nfs/dbraw/zinc/57/09/29/1144570929.db2.gz JRYIIKOOLFJQBE-OWCLPIDISA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CCC[N@H+](CCCCCF)C1)N(C)C ZINC001265217106 1144669261 /nfs/dbraw/zinc/66/92/61/1144669261.db2.gz RTCHVWCEEFQQDY-HOTGVXAUSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCCCCF)C1)N(C)C ZINC001265217106 1144669263 /nfs/dbraw/zinc/66/92/63/1144669263.db2.gz RTCHVWCEEFQQDY-HOTGVXAUSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001266041525 1144799029 /nfs/dbraw/zinc/79/90/29/1144799029.db2.gz XEIYRZUDJCHJLM-GFCCVEGCSA-N 1 3 322.280 2.084 20 0 DEADHO CC/C=C\CC[NH+]1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC001266193448 1144812876 /nfs/dbraw/zinc/81/28/76/1144812876.db2.gz KMNYINXXGZFRIV-PLNGDYQASA-N 1 3 304.438 2.231 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]CC2CCCC2)C1)N(C)C ZINC001280263847 1144834596 /nfs/dbraw/zinc/83/45/96/1144834596.db2.gz NQORLJNSKFDKHH-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H]1CC[N@H+](CC(=O)NCc2ccc(Nc3ccncc3)cc2)C1 ZINC001364224218 1145087887 /nfs/dbraw/zinc/08/78/87/1145087887.db2.gz HPONHSXAESCTJG-HNNXBMFYSA-N 1 3 324.428 2.205 20 0 DEADHO C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(Nc3ccncc3)cc2)C1 ZINC001364224218 1145087893 /nfs/dbraw/zinc/08/78/93/1145087893.db2.gz HPONHSXAESCTJG-HNNXBMFYSA-N 1 3 324.428 2.205 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+][C@@H]2COC[C@H]2C2CC2)CC1 ZINC001364772699 1145554395 /nfs/dbraw/zinc/55/43/95/1145554395.db2.gz RUILKEMOZKJQPG-JDEYZFBPSA-N 1 3 308.466 2.035 20 0 DEADHO CC(C)COC(=O)N1CCC([NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)CC1 ZINC001364932759 1145690843 /nfs/dbraw/zinc/69/08/43/1145690843.db2.gz NOQOHIROTQEJNF-BHYGNILZSA-N 1 3 323.481 2.173 20 0 DEADHO C[C@@H](CC[NH2+]C1CC2(C[C@@H]2NC(=O)OC(C)(C)C)C1)N(C)C ZINC001364988181 1145735351 /nfs/dbraw/zinc/73/53/51/1145735351.db2.gz WHWSWZAIZPRHEZ-PEUXKQIOSA-N 1 3 311.470 2.362 20 0 DEADHO CC(C)=CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001284241504 1145825014 /nfs/dbraw/zinc/82/50/14/1145825014.db2.gz KDDZSZKSTUIESX-GJZGRUSLSA-N 1 3 304.438 2.101 20 0 DEADHO Cc1cc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc(C)n1 ZINC001365511563 1145883969 /nfs/dbraw/zinc/88/39/69/1145883969.db2.gz RIILZYCGHVVNKV-BEFAXECRSA-N 1 3 316.493 2.156 20 0 DEADHO Cc1cc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc(C)n1 ZINC001365511563 1145883972 /nfs/dbraw/zinc/88/39/72/1145883972.db2.gz RIILZYCGHVVNKV-BEFAXECRSA-N 1 3 316.493 2.156 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@@H]1CCN(CCCc2ccsc2)C1 ZINC001365990692 1146989531 /nfs/dbraw/zinc/98/95/31/1146989531.db2.gz WQHZHNNRBFWPAJ-MRXNPFEDSA-N 1 3 323.506 2.213 20 0 DEADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CC1CC(F)(F)C1 ZINC001492034534 1147070310 /nfs/dbraw/zinc/07/03/10/1147070310.db2.gz JQFGVCUWMUQNFY-GFCCVEGCSA-N 1 3 317.424 2.000 20 0 DEADHO CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001366170156 1147089935 /nfs/dbraw/zinc/08/99/35/1147089935.db2.gz QQPQJBXUBCGEGF-YESZJQIVSA-N 1 3 321.440 2.347 20 0 DEADHO C[NH+](C)CCCC(=O)NC1CCC(NCc2nccs2)CC1 ZINC001366251235 1147163959 /nfs/dbraw/zinc/16/39/59/1147163959.db2.gz QQBXFTCDTYXNDN-UHFFFAOYSA-N 1 3 324.494 2.002 20 0 DEADHO CN(CCCF)CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001492311518 1147207990 /nfs/dbraw/zinc/20/79/90/1147207990.db2.gz XCPHMOHINPQYRR-UHFFFAOYSA-N 1 3 301.450 2.047 20 0 DEADHO CN(CCCF)CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001492311518 1147207996 /nfs/dbraw/zinc/20/79/96/1147207996.db2.gz XCPHMOHINPQYRR-UHFFFAOYSA-N 1 3 301.450 2.047 20 0 DEADHO CN(CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)CCc1ccccc1 ZINC001492292710 1147221859 /nfs/dbraw/zinc/22/18/59/1147221859.db2.gz IQVZRAUZPOXINH-SFHVURJKSA-N 1 3 317.477 2.152 20 0 DEADHO CN(CCNC(=O)CC[C@@H]1CCC[N@H+]1C)CCc1ccccc1 ZINC001492292710 1147221863 /nfs/dbraw/zinc/22/18/63/1147221863.db2.gz IQVZRAUZPOXINH-SFHVURJKSA-N 1 3 317.477 2.152 20 0 DEADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CCc1ccccc1 ZINC001366474560 1147300230 /nfs/dbraw/zinc/30/02/30/1147300230.db2.gz MMODXSVYOWPZLT-INIZCTEOSA-N 1 3 317.477 2.198 20 0 DEADHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCC1CCCC1 ZINC001366488463 1147307931 /nfs/dbraw/zinc/30/79/31/1147307931.db2.gz QSCBJMRGVMDJFQ-HZPDHXFCSA-N 1 3 309.498 2.393 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)C2CC[NH+](C)CC2)cc1C ZINC001366560546 1147353700 /nfs/dbraw/zinc/35/37/00/1147353700.db2.gz VIWZHYVVCUFPKG-UHFFFAOYSA-N 1 3 317.477 2.193 20 0 DEADHO CN(CCNC(=O)CC[NH+](C)C)Cc1ccc(C(C)(C)C)cc1 ZINC001366560587 1147354020 /nfs/dbraw/zinc/35/40/20/1147354020.db2.gz WFVQMXVJPNKSKO-UHFFFAOYSA-N 1 3 319.493 2.484 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](C)Cc1ccc2cc[nH]c2c1)N(C)C ZINC001366563885 1147356305 /nfs/dbraw/zinc/35/63/05/1147356305.db2.gz PMDOESHCGVILOZ-KRWDZBQOSA-N 1 3 316.449 2.056 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](C)Cc1ccc2cc[nH]c2c1)N(C)C ZINC001366563885 1147356310 /nfs/dbraw/zinc/35/63/10/1147356310.db2.gz PMDOESHCGVILOZ-KRWDZBQOSA-N 1 3 316.449 2.056 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](C)[C@H]1CCCc2ccccc21)N(C)C ZINC001366582358 1147372876 /nfs/dbraw/zinc/37/28/76/1147372876.db2.gz GLXLHLGIJVCBLH-MSOLQXFVSA-N 1 3 317.477 2.452 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](C)[C@H]1CCCc2ccccc21)N(C)C ZINC001366582358 1147372880 /nfs/dbraw/zinc/37/28/80/1147372880.db2.gz GLXLHLGIJVCBLH-MSOLQXFVSA-N 1 3 317.477 2.452 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@H+](C[C@@H]1CC[C@H]2C[C@H]2C1)C1CC1 ZINC001366762388 1147547732 /nfs/dbraw/zinc/54/77/32/1147547732.db2.gz SPGCSBRTNHCDQY-IXDOHACOSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@@H+](C[C@@H]1CC[C@H]2C[C@H]2C1)C1CC1 ZINC001366762388 1147547742 /nfs/dbraw/zinc/54/77/42/1147547742.db2.gz SPGCSBRTNHCDQY-IXDOHACOSA-N 1 3 321.509 2.343 20 0 DEADHO CCCC[N@H+](C)CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001316850929 1147615033 /nfs/dbraw/zinc/61/50/33/1147615033.db2.gz LOSWNRNRFBZWQV-QGZVFWFLSA-N 1 3 315.477 2.437 20 0 DEADHO CCCC[N@@H+](C)CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001316850929 1147615035 /nfs/dbraw/zinc/61/50/35/1147615035.db2.gz LOSWNRNRFBZWQV-QGZVFWFLSA-N 1 3 315.477 2.437 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[N@H+](C)CC2CC3(CCC3)C2)C1 ZINC001316851278 1147615133 /nfs/dbraw/zinc/61/51/33/1147615133.db2.gz UFLADBMJLAKPFO-INIZCTEOSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[N@@H+](C)CC2CC3(CCC3)C2)C1 ZINC001316851278 1147615140 /nfs/dbraw/zinc/61/51/40/1147615140.db2.gz UFLADBMJLAKPFO-INIZCTEOSA-N 1 3 321.509 2.347 20 0 DEADHO CC[C@H](F)CN(CCCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001316921305 1147631557 /nfs/dbraw/zinc/63/15/57/1147631557.db2.gz BRZJIGANMQXVDY-HNNXBMFYSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCCc2ccccc2)C1)N(C)C ZINC001317065352 1147655520 /nfs/dbraw/zinc/65/55/20/1147655520.db2.gz ORWVVCKWBGQMRK-ROUUACIJSA-N 1 3 317.477 2.150 20 0 DEADHO CC[C@H](C(=O)NC1(C[NH2+]C[C@@H](F)CC)CCCC1)N(C)C ZINC001367155980 1147657964 /nfs/dbraw/zinc/65/79/64/1147657964.db2.gz GLXNIYDCLCPECM-UONOGXRCSA-N 1 3 301.450 2.093 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(C)C ZINC001317212317 1147678106 /nfs/dbraw/zinc/67/81/06/1147678106.db2.gz VIBGCMMTSODMIV-HOIGQRGTSA-N 1 3 319.493 2.262 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(C)C ZINC001317212317 1147678108 /nfs/dbraw/zinc/67/81/08/1147678108.db2.gz VIBGCMMTSODMIV-HOIGQRGTSA-N 1 3 319.493 2.262 20 0 DEADHO Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCN2C)c(C)s1 ZINC001367354651 1147683068 /nfs/dbraw/zinc/68/30/68/1147683068.db2.gz ICDONUYTBRZRBM-WBMJQRKESA-N 1 3 323.506 2.396 20 0 DEADHO Cc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)CN(C)C2CCC2)c1 ZINC001367357381 1147683465 /nfs/dbraw/zinc/68/34/65/1147683465.db2.gz JGULXZMFCRWHGX-INIZCTEOSA-N 1 3 317.477 2.416 20 0 DEADHO C[C@H](C[NH2+]CC1CCC2(CC2)CC1)N(C)C(=O)[C@H]1CCCN1C ZINC001367362548 1147684284 /nfs/dbraw/zinc/68/42/84/1147684284.db2.gz UOTLEVRFFKWZEA-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2)[C@@H](C)C1 ZINC001367437419 1147694209 /nfs/dbraw/zinc/69/42/09/1147694209.db2.gz HERBMLKQMDERAA-FUHWJXTLSA-N 1 3 317.477 2.353 20 0 DEADHO Cc1ccc(CN(C)CCN(C)C(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001367530066 1147710107 /nfs/dbraw/zinc/71/01/07/1147710107.db2.gz BBQJMFWIBCMUQJ-UHFFFAOYSA-N 1 3 317.477 2.227 20 0 DEADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCN(C)Cc1ccccc1 ZINC001367551697 1147714836 /nfs/dbraw/zinc/71/48/36/1147714836.db2.gz NNYJRYVETXYKQA-IAGOWNOFSA-N 1 3 317.477 2.450 20 0 DEADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCN(C)Cc1ccccc1 ZINC001367551704 1147714905 /nfs/dbraw/zinc/71/49/05/1147714905.db2.gz NNYJRYVETXYKQA-IRXDYDNUSA-N 1 3 317.477 2.450 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001367767909 1147740257 /nfs/dbraw/zinc/74/02/57/1147740257.db2.gz PNJZAEGXMFAZHP-JQWIXIFHSA-N 1 3 317.886 2.336 20 0 DEADHO CCC/C=C\CC[NH+]1CC(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001318155125 1147785896 /nfs/dbraw/zinc/78/58/96/1147785896.db2.gz OGNQRZBWEHVWHV-KJPDOMRESA-N 1 3 307.482 2.123 20 0 DEADHO Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H](C(C)C)N(C)C)CC2)cc1 ZINC001368022229 1147832321 /nfs/dbraw/zinc/83/23/21/1147832321.db2.gz KSZMKRNKOMWIOJ-QGZVFWFLSA-N 1 3 317.477 2.320 20 0 DEADHO CC(C)C[NH2+]C1(CNC(=O)[C@@H](C(C)C)N2CCCCC2)CC1 ZINC001368044837 1147840395 /nfs/dbraw/zinc/84/03/95/1147840395.db2.gz RIDGDQUAIDNICA-MRXNPFEDSA-N 1 3 309.498 2.391 20 0 DEADHO CCCCCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001326222683 1148059062 /nfs/dbraw/zinc/05/90/62/1148059062.db2.gz DQGCHUMVFRCAOW-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO CC1CC(C[NH2+]CC[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001326285955 1148069389 /nfs/dbraw/zinc/06/93/89/1148069389.db2.gz HCYVLLBYRLMOTR-AQFXKWCLSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H](F)CC[NH2+]CC[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001326286888 1148069943 /nfs/dbraw/zinc/06/99/43/1148069943.db2.gz KJGBMWICMSXZOM-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2ccccc2)C1)N(C)C ZINC001326411884 1148095243 /nfs/dbraw/zinc/09/52/43/1148095243.db2.gz OAEGUVWDDXFIRH-ZWKOTPCHSA-N 1 3 317.477 2.355 20 0 DEADHO CC[C@H](C)C[NH2+]C[C@]1(C)CCN(C(=O)CN(C)C2CCC2)C1 ZINC001368189866 1148316052 /nfs/dbraw/zinc/31/60/52/1148316052.db2.gz MTVWLSCHCDAXPB-YJBOKZPZSA-N 1 3 309.498 2.345 20 0 DEADHO CCCCC[N@@H+]1CCC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001327148251 1148337075 /nfs/dbraw/zinc/33/70/75/1148337075.db2.gz RKUNSBKNDAACHA-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO CCCCC[N@H+]1CCC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001327148251 1148337081 /nfs/dbraw/zinc/33/70/81/1148337081.db2.gz RKUNSBKNDAACHA-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO Cc1cc(C)cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000152850958 282156046 /nfs/dbraw/zinc/15/60/46/282156046.db2.gz LTOUBRHXXFBVPE-UHFFFAOYSA-N 1 3 306.454 2.261 20 0 DEADHO CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443069669 529621152 /nfs/dbraw/zinc/62/11/52/529621152.db2.gz KGHWULPFWLRPQD-WMLDXEAASA-N 1 3 319.449 2.473 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000417843892 529616152 /nfs/dbraw/zinc/61/61/52/529616152.db2.gz VXXUGGUYGSZVBY-LZLYRXPVSA-N 1 3 303.450 2.273 20 0 DEADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H]3CCOC3)CC2)c1 ZINC000088676880 185262121 /nfs/dbraw/zinc/26/21/21/185262121.db2.gz DPESHDYYNWYRNF-GOSISDBHSA-N 1 3 317.477 2.276 20 0 DEADHO CCOC(=O)N1CCC([C@@H](C)[NH2+]CC[C@@H]2CCCN2C)CC1 ZINC000186412798 282275424 /nfs/dbraw/zinc/27/54/24/282275424.db2.gz QPXDLWVKJKVZEG-ZBFHGGJFSA-N 1 3 311.470 2.317 20 0 DEADHO CN(C[C@@H]1CCCN1C)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000422605860 529949593 /nfs/dbraw/zinc/94/95/93/529949593.db2.gz HGICSNKHZCVQST-DLBZAZTESA-N 1 3 318.465 2.202 20 0 DEADHO C[NH2+]CC1CCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)CC1 ZINC000417785599 529957410 /nfs/dbraw/zinc/95/74/10/529957410.db2.gz BZZCKECLDFAHOJ-INIZCTEOSA-N 1 3 303.450 2.171 20 0 DEADHO C[NH2+]CCc1ccccc1C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000422544335 529979563 /nfs/dbraw/zinc/97/95/63/529979563.db2.gz UPQFAOLSJXMJHC-IBGZPJMESA-N 1 3 323.440 2.065 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)cc1 ZINC000093820011 539431745 /nfs/dbraw/zinc/43/17/45/539431745.db2.gz MSUYBPDQHXOYKJ-GOSISDBHSA-N 1 3 304.434 2.239 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+]2CC[C@@]3(CCOC3)C2)cc1 ZINC000093820011 539431751 /nfs/dbraw/zinc/43/17/51/539431751.db2.gz MSUYBPDQHXOYKJ-GOSISDBHSA-N 1 3 304.434 2.239 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000615444755 362608654 /nfs/dbraw/zinc/60/86/54/362608654.db2.gz CELCZXOJALCRGG-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)C1 ZINC000253549717 282599167 /nfs/dbraw/zinc/59/91/67/282599167.db2.gz LEIMSHMXBWDXDX-QAETUUGQSA-N 1 3 309.498 2.438 20 0 DEADHO C[C@H](O)C[C@H]1CCC[N@H+]1[C@@H](C)CCN1CCC[C@H]1C[C@H](C)O ZINC000246748881 539766282 /nfs/dbraw/zinc/76/62/82/539766282.db2.gz PZSBUVMVELBCQC-KFGODFMUSA-N 1 3 312.498 2.236 20 0 DEADHO C[C@H](O)C[C@H]1CCC[N@@H+]1[C@@H](C)CCN1CCC[C@H]1C[C@H](C)O ZINC000246748881 539766284 /nfs/dbraw/zinc/76/62/84/539766284.db2.gz PZSBUVMVELBCQC-KFGODFMUSA-N 1 3 312.498 2.236 20 0 DEADHO C[C@H](O)C[C@H]1CCCN1[C@@H](C)CC[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000246748881 539766288 /nfs/dbraw/zinc/76/62/88/539766288.db2.gz PZSBUVMVELBCQC-KFGODFMUSA-N 1 3 312.498 2.236 20 0 DEADHO C[C@H](O)C[C@H]1CCCN1[C@@H](C)CC[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000246748881 539766292 /nfs/dbraw/zinc/76/62/92/539766292.db2.gz PZSBUVMVELBCQC-KFGODFMUSA-N 1 3 312.498 2.236 20 0 DEADHO CCc1noc(C)c1CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333876241 282984057 /nfs/dbraw/zinc/98/40/57/282984057.db2.gz SXYCUTGISVHQOH-DOTOQJQBSA-N 1 3 307.438 2.264 20 0 DEADHO C[N@H+]1CC=C(CNCc2ccnn2-c2ccc(F)cc2)CC1 ZINC000280122770 215391294 /nfs/dbraw/zinc/39/12/94/215391294.db2.gz COBGYKADMPTIDD-UHFFFAOYSA-N 1 3 300.381 2.363 20 0 DEADHO C[N@@H+]1CC=C(CNCc2ccnn2-c2ccc(F)cc2)CC1 ZINC000280122770 215391296 /nfs/dbraw/zinc/39/12/96/215391296.db2.gz COBGYKADMPTIDD-UHFFFAOYSA-N 1 3 300.381 2.363 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)c2cccc3c2CCNC3)CC1 ZINC000322385357 539902197 /nfs/dbraw/zinc/90/21/97/539902197.db2.gz MWTATFKEPWVZJX-UHFFFAOYSA-N 1 3 315.461 2.327 20 0 DEADHO O[C@@H](CN1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000173950665 198272151 /nfs/dbraw/zinc/27/21/51/198272151.db2.gz PNEHCYMKMWRMRP-IBGZPJMESA-N 1 3 318.461 2.297 20 0 DEADHO CCCN(C(=O)N[C@@H](C)CN1CCC[C@H](C)C1)C1CC[NH2+]CC1 ZINC000417324988 283006912 /nfs/dbraw/zinc/00/69/12/283006912.db2.gz JPAADXBBLHJIHL-HOTGVXAUSA-N 1 3 324.513 2.280 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000047104840 354306376 /nfs/dbraw/zinc/30/63/76/354306376.db2.gz OIIJPUPPOXQDFS-DLBZAZTESA-N 1 3 316.449 2.497 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000047104840 354306378 /nfs/dbraw/zinc/30/63/78/354306378.db2.gz OIIJPUPPOXQDFS-DLBZAZTESA-N 1 3 316.449 2.497 20 0 DEADHO C[C@@H](CC[NH+](C)C)NC[C@@H](O)COCc1ccccc1Cl ZINC000049557525 354361200 /nfs/dbraw/zinc/36/12/00/354361200.db2.gz UIEOBMYEPFAVDN-DZGCQCFKSA-N 1 3 314.857 2.147 20 0 DEADHO CCC[C@H](N)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000236813670 202021267 /nfs/dbraw/zinc/02/12/67/202021267.db2.gz CTWDWKMYNOMXPD-SFHVURJKSA-N 1 3 317.477 2.484 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000073442188 354960274 /nfs/dbraw/zinc/96/02/74/354960274.db2.gz JHNRVHJOLJLJCY-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO CCC[C@H](N)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000236813670 202021271 /nfs/dbraw/zinc/02/12/71/202021271.db2.gz CTWDWKMYNOMXPD-SFHVURJKSA-N 1 3 317.477 2.484 20 0 DEADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2CCN(C)CC2)C1 ZINC000073554471 354967050 /nfs/dbraw/zinc/96/70/50/354967050.db2.gz XDEXRAMJEXKASK-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C2CCN(C)CC2)C1 ZINC000073554471 354967053 /nfs/dbraw/zinc/96/70/53/354967053.db2.gz XDEXRAMJEXKASK-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC1CCN(C2CC2)CC1 ZINC000073570076 191327845 /nfs/dbraw/zinc/32/78/45/191327845.db2.gz AHCZKODCJXMOAH-MRXNPFEDSA-N 1 3 322.497 2.129 20 0 DEADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC1CCN(C2CC2)CC1 ZINC000073570076 191327846 /nfs/dbraw/zinc/32/78/46/191327846.db2.gz AHCZKODCJXMOAH-MRXNPFEDSA-N 1 3 322.497 2.129 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000073675872 191340456 /nfs/dbraw/zinc/34/04/56/191340456.db2.gz OKJACCVIPKKRMP-QGZVFWFLSA-N 1 3 324.513 2.282 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000077644825 355218414 /nfs/dbraw/zinc/21/84/14/355218414.db2.gz JHMFVXXMFYJPSC-KRWDZBQOSA-N 1 3 324.513 2.423 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000079944972 355337567 /nfs/dbraw/zinc/33/75/67/355337567.db2.gz SSYHTMABHPSYIY-FUHWJXTLSA-N 1 3 317.477 2.496 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000079944972 355337570 /nfs/dbraw/zinc/33/75/70/355337570.db2.gz SSYHTMABHPSYIY-FUHWJXTLSA-N 1 3 317.477 2.496 20 0 DEADHO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415879150 540161803 /nfs/dbraw/zinc/16/18/03/540161803.db2.gz AWOKCVCVFZWXAK-CYBMUJFWSA-N 1 3 304.438 2.184 20 0 DEADHO NC(=O)[C@H]1CCC[N@H+](CCCN[C@H](c2ccccc2)C2CC2)C1 ZINC000091333575 355592766 /nfs/dbraw/zinc/59/27/66/355592766.db2.gz RKAGLASPOSDSNP-ZWKOTPCHSA-N 1 3 315.461 2.315 20 0 DEADHO NC(=O)[C@H]1CCC[N@@H+](CCCN[C@H](c2ccccc2)C2CC2)C1 ZINC000091333575 355592771 /nfs/dbraw/zinc/59/27/71/355592771.db2.gz RKAGLASPOSDSNP-ZWKOTPCHSA-N 1 3 315.461 2.315 20 0 DEADHO CO[C@@H]1CCN(CC[C@H](C)[N@@H+]2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000451565209 540190572 /nfs/dbraw/zinc/19/05/72/540190572.db2.gz LIDNYHLOZYVWHN-SFFUCWETSA-N 1 3 312.498 2.479 20 0 DEADHO CO[C@@H]1CCN(CC[C@H](C)[N@H+]2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000451565209 540190575 /nfs/dbraw/zinc/19/05/75/540190575.db2.gz LIDNYHLOZYVWHN-SFFUCWETSA-N 1 3 312.498 2.479 20 0 DEADHO CO[C@@H]1CC[N@@H+](CC[C@H](C)N2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000451565209 540190577 /nfs/dbraw/zinc/19/05/77/540190577.db2.gz LIDNYHLOZYVWHN-SFFUCWETSA-N 1 3 312.498 2.479 20 0 DEADHO CO[C@@H]1CC[N@H+](CC[C@H](C)N2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000451565209 540190580 /nfs/dbraw/zinc/19/05/80/540190580.db2.gz LIDNYHLOZYVWHN-SFFUCWETSA-N 1 3 312.498 2.479 20 0 DEADHO CC(C)[NH2+]CCC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000166203600 355976342 /nfs/dbraw/zinc/97/63/42/355976342.db2.gz WQEJSAXHIRJNRG-HNNXBMFYSA-N 1 3 323.506 2.464 20 0 DEADHO C[C@@H](CCNC(=O)N(C)C[C@H]1CCCN(C)C1)[NH+]1CCCCC1 ZINC000182689666 356139735 /nfs/dbraw/zinc/13/97/35/356139735.db2.gz JJWWHWSEOSHTAD-IRXDYDNUSA-N 1 3 324.513 2.234 20 0 DEADHO Cc1ccc([C@H](CNC(=O)N(C)CCC[NH+](C)C)N(C)C)cc1 ZINC000185768765 356210590 /nfs/dbraw/zinc/21/05/90/356210590.db2.gz QOFVBWJUIIIWQT-KRWDZBQOSA-N 1 3 320.481 2.191 20 0 DEADHO CN(C[C@@H]1CCCN(C)C1)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237113433 356294622 /nfs/dbraw/zinc/29/46/22/356294622.db2.gz CDKJBNFGOWFPJY-NVXWUHKLSA-N 1 3 303.450 2.267 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000237496461 356298167 /nfs/dbraw/zinc/29/81/67/356298167.db2.gz KSOMPHRNCPHSLI-RDJZCZTQSA-N 1 3 303.450 2.457 20 0 DEADHO C[C@H](CC[NH+](C)C)N[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401921760 283162101 /nfs/dbraw/zinc/16/21/01/283162101.db2.gz JHSRXOAJFYHZGQ-NVXWUHKLSA-N 1 3 319.449 2.327 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)CN[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000316705995 356430440 /nfs/dbraw/zinc/43/04/40/356430440.db2.gz CQQKNUHWGDBPLI-YESZJQIVSA-N 1 3 306.450 2.115 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000316705995 356430445 /nfs/dbraw/zinc/43/04/45/356430445.db2.gz CQQKNUHWGDBPLI-YESZJQIVSA-N 1 3 306.450 2.115 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CCCC[NH2+]1)c1ccsc1 ZINC000236880376 202050163 /nfs/dbraw/zinc/05/01/63/202050163.db2.gz PINAVPAZZQOIFV-LSDHHAIUSA-N 1 3 309.479 2.389 20 0 DEADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](N)CCSC)cc1 ZINC000236904915 202062668 /nfs/dbraw/zinc/06/26/68/202062668.db2.gz XXUALTDSQCGYPA-INIZCTEOSA-N 1 3 323.506 2.225 20 0 DEADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)C(C)C ZINC000236903784 202063603 /nfs/dbraw/zinc/06/36/03/202063603.db2.gz IEHZHGQRUMZHKP-ROUUACIJSA-N 1 3 317.477 2.340 20 0 DEADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)C(C)C ZINC000236903784 202063607 /nfs/dbraw/zinc/06/36/07/202063607.db2.gz IEHZHGQRUMZHKP-ROUUACIJSA-N 1 3 317.477 2.340 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000423767542 283197553 /nfs/dbraw/zinc/19/75/53/283197553.db2.gz DKGIBLKUMPQVNF-BBRMVZONSA-N 1 3 309.429 2.105 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000423767542 283197556 /nfs/dbraw/zinc/19/75/56/283197556.db2.gz DKGIBLKUMPQVNF-BBRMVZONSA-N 1 3 309.429 2.105 20 0 DEADHO C[C@H](C[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)CN(C)C ZINC000381886093 356672914 /nfs/dbraw/zinc/67/29/14/356672914.db2.gz QFRVBVRHAOYQPA-ILXRZTDVSA-N 1 3 313.486 2.467 20 0 DEADHO CCN(CC)[C@H](CNC(=O)CC[NH2+]C1CC1)c1ccccc1 ZINC000386228434 356694802 /nfs/dbraw/zinc/69/48/02/356694802.db2.gz GPTQZAQXMSMTDI-QGZVFWFLSA-N 1 3 303.450 2.328 20 0 DEADHO CN(CCNC(=O)CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000386747053 356698259 /nfs/dbraw/zinc/69/82/59/356698259.db2.gz FOUGHCVQWAHOLN-MRXNPFEDSA-N 1 3 303.450 2.014 20 0 DEADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000387421553 356704014 /nfs/dbraw/zinc/70/40/14/356704014.db2.gz GFRZMIDYUQIBQZ-JKSUJKDBSA-N 1 3 305.466 2.430 20 0 DEADHO CC(C)[NH2+]CCCN[C@H](C)CCN1C(=O)c2ccccc2C1=O ZINC000578518521 356829973 /nfs/dbraw/zinc/82/99/73/356829973.db2.gz OGACZWBYHLHIME-CQSZACIVSA-N 1 3 317.433 2.039 20 0 DEADHO CC(C)NCCC[NH2+][C@H](C)CCN1C(=O)c2ccccc2C1=O ZINC000578518521 356829977 /nfs/dbraw/zinc/82/99/77/356829977.db2.gz OGACZWBYHLHIME-CQSZACIVSA-N 1 3 317.433 2.039 20 0 DEADHO NC(=O)CC[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000578641040 356849811 /nfs/dbraw/zinc/84/98/11/356849811.db2.gz HUJLXAGCPSCUDU-UHFFFAOYSA-N 1 3 309.841 2.017 20 0 DEADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)CCCC[NH3+])cc1 ZINC000579241004 356944828 /nfs/dbraw/zinc/94/48/28/356944828.db2.gz HJEGEEDZOMYBPR-QGZVFWFLSA-N 1 3 319.449 2.077 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000579350854 356961571 /nfs/dbraw/zinc/96/15/71/356961571.db2.gz WANMOQYYWGPDAU-UXLLHSPISA-N 1 3 318.465 2.076 20 0 DEADHO COCCC[NH+]1CCC(NC[C@@H](O)[C@H](C)c2ccccc2)CC1 ZINC000581543780 357204068 /nfs/dbraw/zinc/20/40/68/357204068.db2.gz VBENZEAZWNWIKX-VQIMIIECSA-N 1 3 320.477 2.242 20 0 DEADHO c1nc2n(c1C[NH2+]CC1CCN(c3ccncc3)CC1)CCC2 ZINC000657426026 540306863 /nfs/dbraw/zinc/30/68/63/540306863.db2.gz VPOFDMSOHXLWNR-UHFFFAOYSA-N 1 3 311.433 2.231 20 0 DEADHO CCN(C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1)[C@H]1CCN(C)C1 ZINC000664498211 540346359 /nfs/dbraw/zinc/34/63/59/540346359.db2.gz AWEVCTIJHXNJCS-SJORKVTESA-N 1 3 324.513 2.090 20 0 DEADHO CCN(C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1)[C@H]1CCN(C)C1 ZINC000664498211 540346361 /nfs/dbraw/zinc/34/63/61/540346361.db2.gz AWEVCTIJHXNJCS-SJORKVTESA-N 1 3 324.513 2.090 20 0 DEADHO CCCN1CC[C@@H](NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000666926691 540364688 /nfs/dbraw/zinc/36/46/88/540364688.db2.gz WEWRRCLCVAETGK-IAGOWNOFSA-N 1 3 322.497 2.131 20 0 DEADHO CCCN1CC[C@@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000666926223 540364716 /nfs/dbraw/zinc/36/47/16/540364716.db2.gz LYQJWXWNUVSDRC-IAGOWNOFSA-N 1 3 322.497 2.131 20 0 DEADHO Cn1c(CN[C@H]2CC23CC[NH2+]CC3)nc2cc(Cl)ccc21 ZINC000666952016 540368849 /nfs/dbraw/zinc/36/88/49/540368849.db2.gz BZGMXFVWXJXJTI-AWEZNQCLSA-N 1 3 304.825 2.458 20 0 DEADHO Fc1ccc(-n2nccc2CN[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000666955538 540369760 /nfs/dbraw/zinc/36/97/60/540369760.db2.gz YBEODIRRTHOLNL-MRXNPFEDSA-N 1 3 300.381 2.243 20 0 DEADHO Cc1nn(-c2ccccn2)c(C)c1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000666955504 540370040 /nfs/dbraw/zinc/37/00/40/540370040.db2.gz RSDDJOXYAQDCEY-MRXNPFEDSA-N 1 3 311.433 2.116 20 0 DEADHO Cc1cc(C[NH2+][C@@H]2CCNC3(CCC3)C2)ccc1-n1cncn1 ZINC000666997040 540377260 /nfs/dbraw/zinc/37/72/60/540377260.db2.gz SSJLSSHHUFVTFX-MRXNPFEDSA-N 1 3 311.433 2.340 20 0 DEADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccncc1 ZINC000180646218 199190311 /nfs/dbraw/zinc/19/03/11/199190311.db2.gz QXFYNGWICMUYMA-BEFAXECRSA-N 1 3 311.429 2.499 20 0 DEADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccncc1 ZINC000180646218 199190312 /nfs/dbraw/zinc/19/03/12/199190312.db2.gz QXFYNGWICMUYMA-BEFAXECRSA-N 1 3 311.429 2.499 20 0 DEADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCCCC1)[C@@H]1CCCCN1 ZINC000422765172 299283053 /nfs/dbraw/zinc/28/30/53/299283053.db2.gz QICFUZPMOUEGOE-IRXDYDNUSA-N 1 3 309.498 2.142 20 0 DEADHO COC(=O)c1ccc(CNCC[C@@H]2CCC[N@H+](C)C2)cc1F ZINC000597151519 358836586 /nfs/dbraw/zinc/83/65/86/358836586.db2.gz NVEKMEMVCQABKX-ZDUSSCGKSA-N 1 3 308.397 2.434 20 0 DEADHO COC(=O)c1ccc(CNCC[C@@H]2CCC[N@@H+](C)C2)cc1F ZINC000597151519 358836589 /nfs/dbraw/zinc/83/65/89/358836589.db2.gz NVEKMEMVCQABKX-ZDUSSCGKSA-N 1 3 308.397 2.434 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1CC(C)(C)C1 ZINC000667315716 540433921 /nfs/dbraw/zinc/43/39/21/540433921.db2.gz GRMBXZPKGWZFPM-INIZCTEOSA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1CC(C)(C)C1 ZINC000667315716 540433922 /nfs/dbraw/zinc/43/39/22/540433922.db2.gz GRMBXZPKGWZFPM-INIZCTEOSA-N 1 3 324.513 2.233 20 0 DEADHO C[NH+](C)CC1(CNC(=O)Nc2cccc(CN)c2)CCCC1 ZINC000667736917 540517685 /nfs/dbraw/zinc/51/76/85/540517685.db2.gz XWCMKJLZFOYGAR-UHFFFAOYSA-N 1 3 304.438 2.389 20 0 DEADHO C[C@H]1C[C@H](N(C)C(=O)Nc2cccc3c2CCNC3)CC[N@@H+]1C ZINC000667753095 540521005 /nfs/dbraw/zinc/52/10/05/540521005.db2.gz HMTWWTMVVQJOKK-DZGCQCFKSA-N 1 3 316.449 2.279 20 0 DEADHO C[C@H]1C[C@H](N(C)C(=O)Nc2cccc3c2CCNC3)CC[N@H+]1C ZINC000667753095 540521009 /nfs/dbraw/zinc/52/10/09/540521009.db2.gz HMTWWTMVVQJOKK-DZGCQCFKSA-N 1 3 316.449 2.279 20 0 DEADHO C[NH+](C)CCOc1ccc(CN[C@H]2CO[C@H](C3CC3)C2)cc1 ZINC000667791086 540527093 /nfs/dbraw/zinc/52/70/93/540527093.db2.gz CRWAAXITKUOPQJ-AEFFLSMTSA-N 1 3 304.434 2.284 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)cc1 ZINC000667791086 540527097 /nfs/dbraw/zinc/52/70/97/540527097.db2.gz CRWAAXITKUOPQJ-AEFFLSMTSA-N 1 3 304.434 2.284 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C1CC2(CC2)C1 ZINC000667812706 540532589 /nfs/dbraw/zinc/53/25/89/540532589.db2.gz UNMMBSIARILNBK-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C1CC2(CC2)C1 ZINC000667812706 540532592 /nfs/dbraw/zinc/53/25/92/540532592.db2.gz UNMMBSIARILNBK-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO COC(=O)c1ccccc1CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000187181074 200073627 /nfs/dbraw/zinc/07/36/27/200073627.db2.gz OOUIZPQAVLLGPI-WMZOPIPTSA-N 1 3 316.445 2.432 20 0 DEADHO COC(=O)c1ccccc1CC[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000187181074 200073629 /nfs/dbraw/zinc/07/36/29/200073629.db2.gz OOUIZPQAVLLGPI-WMZOPIPTSA-N 1 3 316.445 2.432 20 0 DEADHO [NH3+]CC1(NC(=O)c2cccc(CN3CCCC3)c2)CCCC1 ZINC000237790684 202355871 /nfs/dbraw/zinc/35/58/71/202355871.db2.gz OFPPRPKUJBTZTK-UHFFFAOYSA-N 1 3 301.434 2.284 20 0 DEADHO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(OCCN(C)C)cc2)C1 ZINC000619078895 363697525 /nfs/dbraw/zinc/69/75/25/363697525.db2.gz NITWGZPSNVMPLZ-JKSUJKDBSA-N 1 3 320.433 2.058 20 0 DEADHO c1cc(CN2CCC(C[NH2+]CC[C@@H]3CCOC3)CC2)ccn1 ZINC000668511205 540676262 /nfs/dbraw/zinc/67/62/62/540676262.db2.gz DGYTXROWUXMDJB-GOSISDBHSA-N 1 3 303.450 2.310 20 0 DEADHO C[C@H]1C[NH+](Cc2ccc(OCCN(C)C)cc2)C[C@H](C)C1O ZINC000668555594 540686754 /nfs/dbraw/zinc/68/67/54/540686754.db2.gz ZVCAHLVAJDEISP-GJZGRUSLSA-N 1 3 306.450 2.076 20 0 DEADHO CCN(C)C(=O)[C@@H](C)N[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000189397950 200394269 /nfs/dbraw/zinc/39/42/69/200394269.db2.gz YDCSQVFFNKKTNA-HUUCEWRRSA-N 1 3 321.465 2.144 20 0 DEADHO COC(=O)[C@@H](C)CN(Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000346848840 291218407 /nfs/dbraw/zinc/21/84/07/291218407.db2.gz OGUOIHRODLIHNH-RDJZCZTQSA-N 1 3 304.434 2.297 20 0 DEADHO CN(C(=O)CC[N@H+](C)CCCN1CCCC1)c1ccccc1 ZINC000281245559 216181171 /nfs/dbraw/zinc/18/11/71/216181171.db2.gz GKKFENNBOBZLBB-UHFFFAOYSA-N 1 3 303.450 2.457 20 0 DEADHO CN(C(=O)CC[N@@H+](C)CCCN1CCCC1)c1ccccc1 ZINC000281245559 216181176 /nfs/dbraw/zinc/18/11/76/216181176.db2.gz GKKFENNBOBZLBB-UHFFFAOYSA-N 1 3 303.450 2.457 20 0 DEADHO CN(Cc1ccccc1N(C)C1CC[NH+](C)CC1)C1(CO)CC1 ZINC000668801510 540733729 /nfs/dbraw/zinc/73/37/29/540733729.db2.gz UHZROSRBAPUOHZ-UHFFFAOYSA-N 1 3 317.477 2.174 20 0 DEADHO N[C@H](CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000669519653 540850960 /nfs/dbraw/zinc/85/09/60/540850960.db2.gz LVLBJYDQBURHGR-KZNAEPCWSA-N 1 3 315.461 2.315 20 0 DEADHO CC(C)Cc1ccc([C@@H](CNC(=O)NC[C@@H](C)[NH3+])N(C)C)cc1 ZINC000669586956 540869538 /nfs/dbraw/zinc/86/95/38/540869538.db2.gz BPKDHFWNTDOYSB-RHSMWYFYSA-N 1 3 320.481 2.134 20 0 DEADHO CC(C)Cc1ccc([C@H](CNC(=O)NC[C@H](C)[NH3+])N(C)C)cc1 ZINC000669586958 540869906 /nfs/dbraw/zinc/86/99/06/540869906.db2.gz BPKDHFWNTDOYSB-YOEHRIQHSA-N 1 3 320.481 2.134 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(C)([NH3+])CC1 ZINC000669552615 540861710 /nfs/dbraw/zinc/86/17/10/540861710.db2.gz FOAMSVLKNSLAMD-OAHLLOKOSA-N 1 3 318.465 2.030 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCN(C(=O)Nc3ccccc3)C2)C1 ZINC000521462274 283629220 /nfs/dbraw/zinc/62/92/20/283629220.db2.gz DPYBJIPVRSVVRW-BMFZPTHFSA-N 1 3 302.422 2.152 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](CC[C@@H](C)F)CC1(C)C ZINC001422096717 1172300713 /nfs/dbraw/zinc/30/07/13/1172300713.db2.gz WVEUCERPTLLERY-HUUCEWRRSA-N 1 3 315.477 2.291 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](CC[C@@H](C)F)CC1(C)C ZINC001422096717 1172300720 /nfs/dbraw/zinc/30/07/20/1172300720.db2.gz WVEUCERPTLLERY-HUUCEWRRSA-N 1 3 315.477 2.291 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000621105888 364257335 /nfs/dbraw/zinc/25/73/35/364257335.db2.gz ZXYWAYNBVHPADH-UIBIWLFHSA-N 1 3 321.509 2.486 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000621105888 364257343 /nfs/dbraw/zinc/25/73/43/364257343.db2.gz ZXYWAYNBVHPADH-UIBIWLFHSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000622092959 364660555 /nfs/dbraw/zinc/66/05/55/364660555.db2.gz PDHBGSCJSZGFOC-JKSUJKDBSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000622092959 364660557 /nfs/dbraw/zinc/66/05/57/364660557.db2.gz PDHBGSCJSZGFOC-JKSUJKDBSA-N 1 3 322.497 2.129 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000623058582 364870815 /nfs/dbraw/zinc/87/08/15/364870815.db2.gz GHMOZHAZLNEQAT-HOCLYGCPSA-N 1 3 304.438 2.387 20 0 DEADHO CNCc1cccc(NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)c1 ZINC000449083437 240033941 /nfs/dbraw/zinc/03/39/41/240033941.db2.gz UDKWSONYHCWVAW-IBGZPJMESA-N 1 3 309.413 2.276 20 0 DEADHO CCn1nc(CNCCC[N@H+](C)CCN(C)C)c2ccccc21 ZINC000623088113 364881957 /nfs/dbraw/zinc/88/19/57/364881957.db2.gz WWHCZVXWTQQUDI-UHFFFAOYSA-N 1 3 317.481 2.029 20 0 DEADHO CCn1nc(CNCCC[N@@H+](C)CCN(C)C)c2ccccc21 ZINC000623088113 364881968 /nfs/dbraw/zinc/88/19/68/364881968.db2.gz WWHCZVXWTQQUDI-UHFFFAOYSA-N 1 3 317.481 2.029 20 0 DEADHO CN1CCC(O)(C[NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449164916 240138103 /nfs/dbraw/zinc/13/81/03/240138103.db2.gz RWQBCTUBOMTKMH-UHFFFAOYSA-N 1 3 310.482 2.303 20 0 DEADHO C[C@@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH3+])[C@@H](c1ccccc1)N(C)C ZINC000424481128 296086609 /nfs/dbraw/zinc/08/66/09/296086609.db2.gz QQVLNHPKRFFEBD-DZUCGIPZSA-N 1 3 318.465 2.247 20 0 DEADHO CC1(C)C[C@]1(CNC[C@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000629585316 367263525 /nfs/dbraw/zinc/26/35/25/367263525.db2.gz RDQJOXQBOOIFDE-HKUYNNGSSA-N 1 3 302.462 2.401 20 0 DEADHO NC[C@H]1CCCC[C@H]1[NH2+]CC[C@@H](O)COCc1ccccc1 ZINC000629555496 367247440 /nfs/dbraw/zinc/24/74/40/367247440.db2.gz VMKOAJWYUZQRNB-KZNAEPCWSA-N 1 3 306.450 2.061 20 0 DEADHO [NH3+][C@H]1CCCCC[C@@H]1NCC[C@@H](O)COCc1ccccc1 ZINC000629555213 367247510 /nfs/dbraw/zinc/24/75/10/367247510.db2.gz RWPZHEQQUOYWOM-SQNIBIBYSA-N 1 3 306.450 2.204 20 0 DEADHO CC[C@H](C[NH2+]C[C@@H](O)CN1CCCC1)Oc1ccccc1F ZINC000629567586 367254823 /nfs/dbraw/zinc/25/48/23/367254823.db2.gz YTIGVWOCDIJTOY-HUUCEWRRSA-N 1 3 310.413 2.029 20 0 DEADHO CN(CCOCC[NH3+])CCOc1cc(Cl)cc(Cl)c1 ZINC000629579614 367258283 /nfs/dbraw/zinc/25/82/83/367258283.db2.gz VDQWZBQBMKUAKJ-UHFFFAOYSA-N 1 3 307.221 2.279 20 0 DEADHO Cc1cc(Br)c(CNCCOCCC[NH3+])s1 ZINC000629678850 367299849 /nfs/dbraw/zinc/29/98/49/367299849.db2.gz LVXGICTUXSAIEU-UHFFFAOYSA-N 1 3 307.257 2.274 20 0 DEADHO Cc1cccc(CN(CC[NH+](C)C)C(=O)CN(C)C2CCC2)c1 ZINC000629973898 367410759 /nfs/dbraw/zinc/41/07/59/367410759.db2.gz UKJHNCYTEUNXDI-UHFFFAOYSA-N 1 3 317.477 2.370 20 0 DEADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000629981097 367417399 /nfs/dbraw/zinc/41/73/99/367417399.db2.gz MVDYJWHVLQOZGG-KSSFIOAISA-N 1 3 303.450 2.278 20 0 DEADHO CN(CC(=O)N(CC[NH+](C)C)Cc1ccsc1)C1CCC1 ZINC000630008378 367435413 /nfs/dbraw/zinc/43/54/13/367435413.db2.gz YGTOEXRAEYSUTM-UHFFFAOYSA-N 1 3 309.479 2.123 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000630592166 367744463 /nfs/dbraw/zinc/74/44/63/367744463.db2.gz MJZIXCVOKSUNQI-OKZBNKHCSA-N 1 3 315.461 2.107 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000630592166 367744470 /nfs/dbraw/zinc/74/44/70/367744470.db2.gz MJZIXCVOKSUNQI-OKZBNKHCSA-N 1 3 315.461 2.107 20 0 DEADHO [NH3+]C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000261535153 203075612 /nfs/dbraw/zinc/07/56/12/203075612.db2.gz PIRSGVNSVOUSED-OALUTQOASA-N 1 3 323.440 2.120 20 0 DEADHO C[C@H](C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)[C@H](N)c1ccccc1 ZINC000261713313 203099766 /nfs/dbraw/zinc/09/97/66/203099766.db2.gz LEZYLKDYRFGWBB-JQHSSLGASA-N 1 3 315.461 2.409 20 0 DEADHO CN(C)CCOc1ccc(NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000261839623 203130486 /nfs/dbraw/zinc/13/04/86/203130486.db2.gz IQYXLOQZIRYPBT-YOEHRIQHSA-N 1 3 319.449 2.473 20 0 DEADHO O=C(CC[C@@H]1CC[NH2+]C1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000261786820 203116753 /nfs/dbraw/zinc/11/67/53/203116753.db2.gz SRCYBNAVBJSJQT-AEFFLSMTSA-N 1 3 315.461 2.329 20 0 DEADHO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)C1CCN(C)CC1 ZINC000678583229 541747338 /nfs/dbraw/zinc/74/73/38/541747338.db2.gz YCAXRBQVSPBAGY-MAUKXSAKSA-N 1 3 315.461 2.107 20 0 DEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000262369194 203275715 /nfs/dbraw/zinc/27/57/15/203275715.db2.gz LMBAJKSFYLGRIB-NVXWUHKLSA-N 1 3 321.440 2.233 20 0 DEADHO CN(C)CCN(Cc1ccccc1F)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000262351632 203270316 /nfs/dbraw/zinc/27/03/16/203270316.db2.gz JEAAQUMFLFJRNR-GDBMZVCRSA-N 1 3 321.440 2.233 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H](N)Cc2ccccc2)C1 ZINC000262663530 203371490 /nfs/dbraw/zinc/37/14/90/203371490.db2.gz HSEIHUAPUGOIJR-SOLBZPMBSA-N 1 3 317.477 2.041 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@H](N)Cc2ccccc2)C1 ZINC000262663530 203371491 /nfs/dbraw/zinc/37/14/91/203371491.db2.gz HSEIHUAPUGOIJR-SOLBZPMBSA-N 1 3 317.477 2.041 20 0 DEADHO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000678939476 541787583 /nfs/dbraw/zinc/78/75/83/541787583.db2.gz NAKCHIQCOUTNNV-HNAYVOBHSA-N 1 3 317.477 2.199 20 0 DEADHO COCCN(C)CC[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274914496 212030402 /nfs/dbraw/zinc/03/04/02/212030402.db2.gz NZDYTVSRCXJEFQ-HKUYNNGSSA-N 1 3 319.493 2.065 20 0 DEADHO COCCN(C)CCN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274914496 212030403 /nfs/dbraw/zinc/03/04/03/212030403.db2.gz NZDYTVSRCXJEFQ-HKUYNNGSSA-N 1 3 319.493 2.065 20 0 DEADHO COCCN(C)CCN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274914496 212030406 /nfs/dbraw/zinc/03/04/06/212030406.db2.gz NZDYTVSRCXJEFQ-HKUYNNGSSA-N 1 3 319.493 2.065 20 0 DEADHO C[C@@H]([NH2+]C[C@@H](O)C1CCC1)c1cccc(OCCN(C)C)c1 ZINC000453394631 245113350 /nfs/dbraw/zinc/11/33/50/245113350.db2.gz WJUFFWONWCCGCV-RDTXWAMCSA-N 1 3 306.450 2.439 20 0 DEADHO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000264669626 204067519 /nfs/dbraw/zinc/06/75/19/204067519.db2.gz LFCLVVLCOJBBLI-QGZVFWFLSA-N 1 3 315.461 2.354 20 0 DEADHO C[N@H+]1CC[C@H](CNC(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000264669626 204067524 /nfs/dbraw/zinc/06/75/24/204067524.db2.gz LFCLVVLCOJBBLI-QGZVFWFLSA-N 1 3 315.461 2.354 20 0 DEADHO C[C@H](CC[NH+](C)C)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000264911342 204262569 /nfs/dbraw/zinc/26/25/69/204262569.db2.gz NOYIBDZKIXSAPV-OAHLLOKOSA-N 1 3 303.450 2.352 20 0 DEADHO Cn1c2ccccc2nc1CC[N@H+](C)C[C@H]1CCCN(C)C1 ZINC000266086787 205085652 /nfs/dbraw/zinc/08/56/52/205085652.db2.gz YQZTWQRURSDUKU-HNNXBMFYSA-N 1 3 300.450 2.389 20 0 DEADHO Cn1c2ccccc2nc1CC[N@@H+](C)C[C@H]1CCCN(C)C1 ZINC000266086787 205085656 /nfs/dbraw/zinc/08/56/56/205085656.db2.gz YQZTWQRURSDUKU-HNNXBMFYSA-N 1 3 300.450 2.389 20 0 DEADHO C[C@H]1CCN(C(=O)/C=C/C[NH+](C)C)CCN1Cc1ccccc1 ZINC000266372797 205299329 /nfs/dbraw/zinc/29/93/29/205299329.db2.gz VIJAJVNRHPGZBD-JEJOPICUSA-N 1 3 315.461 2.227 20 0 DEADHO O=C1[C@@H](N2CCC([C@H]3CCC[NH2+]3)CC2)CCN1C1CCCCC1 ZINC000530226070 284378739 /nfs/dbraw/zinc/37/87/39/284378739.db2.gz VUAOPIMTTUBYQA-MSOLQXFVSA-N 1 3 319.493 2.384 20 0 DEADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)/C=C/CN(C)C ZINC000267432661 206064523 /nfs/dbraw/zinc/06/45/23/206064523.db2.gz NCJLIXGWBBQEEM-HBEJGUJUSA-N 1 3 315.461 2.131 20 0 DEADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)/C=C/CN(C)C ZINC000267432661 206064525 /nfs/dbraw/zinc/06/45/25/206064525.db2.gz NCJLIXGWBBQEEM-HBEJGUJUSA-N 1 3 315.461 2.131 20 0 DEADHO CCCN1CCC([NH2+][C@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC000680875821 542059817 /nfs/dbraw/zinc/05/98/17/542059817.db2.gz IQHBEGQFNXWUMI-INIZCTEOSA-N 1 3 307.482 2.384 20 0 DEADHO CC(C)[NH+](CCCNC(=O)NC(C)(C)CN(C)C)C(C)C ZINC000458505088 248348572 /nfs/dbraw/zinc/34/85/72/248348572.db2.gz NGFKVYBMUZEABJ-UHFFFAOYSA-N 1 3 300.491 2.135 20 0 DEADHO CC(C)N1CC[C@@H](N(C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000458515215 248350144 /nfs/dbraw/zinc/35/01/44/248350144.db2.gz KXELPLRXSUOUPV-HUUCEWRRSA-N 1 3 312.502 2.087 20 0 DEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCNC(=O)/C=C/c1ccccc1 ZINC000493464081 249299244 /nfs/dbraw/zinc/29/92/44/249299244.db2.gz LCVDQHSVSRLKGR-AAIOHFERSA-N 1 3 315.461 2.313 20 0 DEADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1cccc(N2CCOC2=O)c1 ZINC000493697039 249364890 /nfs/dbraw/zinc/36/48/90/249364890.db2.gz ZDSYTSQCUXJONH-BBRMVZONSA-N 1 3 303.406 2.073 20 0 DEADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1cccc(N2CCOC2=O)c1 ZINC000493697039 249364891 /nfs/dbraw/zinc/36/48/91/249364891.db2.gz ZDSYTSQCUXJONH-BBRMVZONSA-N 1 3 303.406 2.073 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CCCC[C@H]2C[NH+](C)C)cc1 ZINC000104413649 194006678 /nfs/dbraw/zinc/00/66/78/194006678.db2.gz YPFLPDMYUKKKLO-KRWDZBQOSA-N 1 3 303.450 2.305 20 0 DEADHO CN1CCN(CC[C@H]2CCC[N@@H+]2C)C[C@H]1Cc1ccccc1 ZINC000284739191 218156225 /nfs/dbraw/zinc/15/62/25/218156225.db2.gz KPXKZPBGSRIMJB-RTBURBONSA-N 1 3 301.478 2.329 20 0 DEADHO CN1CCN(CC[C@H]2CCC[N@H+]2C)C[C@H]1Cc1ccccc1 ZINC000284739191 218156228 /nfs/dbraw/zinc/15/62/28/218156228.db2.gz KPXKZPBGSRIMJB-RTBURBONSA-N 1 3 301.478 2.329 20 0 DEADHO C[C@@H](CNC(=O)NCc1cccc(CN(C)C)c1)[N@H+](C)C1CC1 ZINC000105141168 194077899 /nfs/dbraw/zinc/07/78/99/194077899.db2.gz JVMOOOLYSXDJSY-AWEZNQCLSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@@H](CNC(=O)NCc1cccc(CN(C)C)c1)[N@@H+](C)C1CC1 ZINC000105141168 194077901 /nfs/dbraw/zinc/07/79/01/194077901.db2.gz JVMOOOLYSXDJSY-AWEZNQCLSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)/C=C/CN(C)C)C1 ZINC000363238945 296313059 /nfs/dbraw/zinc/31/30/59/296313059.db2.gz MRKQMKKYXVSZPS-JSMQFAGNSA-N 1 3 307.482 2.217 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)/C=C/CN(C)C)C1 ZINC000363238945 296313060 /nfs/dbraw/zinc/31/30/60/296313060.db2.gz MRKQMKKYXVSZPS-JSMQFAGNSA-N 1 3 307.482 2.217 20 0 DEADHO C[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)[C@H]1CCOC1 ZINC000268894132 207062581 /nfs/dbraw/zinc/06/25/81/207062581.db2.gz PQZFRBRPGLJGLO-RDJZCZTQSA-N 1 3 306.450 2.184 20 0 DEADHO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1cccc(CN(C)C)c1 ZINC000066179522 184395453 /nfs/dbraw/zinc/39/54/53/184395453.db2.gz XHSBZIGSHJDURS-HNNXBMFYSA-N 1 3 320.481 2.278 20 0 DEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1cccc(CN(C)C)c1 ZINC000066179522 184395455 /nfs/dbraw/zinc/39/54/55/184395455.db2.gz XHSBZIGSHJDURS-HNNXBMFYSA-N 1 3 320.481 2.278 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)[C@H](CN)c1ccccc1 ZINC000269234286 207358949 /nfs/dbraw/zinc/35/89/49/207358949.db2.gz FVIMYLGPOFZOOR-QGZVFWFLSA-N 1 3 305.466 2.357 20 0 DEADHO CN1CCC(N2CC[C@@H]([NH2+]C3CCC4(CCCO4)CC3)C2)CC1 ZINC000682642185 542333624 /nfs/dbraw/zinc/33/36/24/542333624.db2.gz SPMZDZBSQAYMRJ-TVRKMHQQSA-N 1 3 321.509 2.236 20 0 DEADHO C[NH2+][C@H]1CCN(C(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000418171637 533032753 /nfs/dbraw/zinc/03/27/53/533032753.db2.gz OHFXQSLIMNPSAN-INIZCTEOSA-N 1 3 322.497 2.036 20 0 DEADHO CSc1ccccc1NC(=O)CCN1C[C@H](C[NH3+])C[C@H]1C ZINC000442764016 533045977 /nfs/dbraw/zinc/04/59/77/533045977.db2.gz STRLFPNAMAKODF-OLZOCXBDSA-N 1 3 307.463 2.406 20 0 DEADHO CSc1ccccc1NC(=O)CCN1C[C@@H](C[NH3+])C[C@H]1C ZINC000442764015 533046414 /nfs/dbraw/zinc/04/64/14/533046414.db2.gz STRLFPNAMAKODF-CHWSQXEVSA-N 1 3 307.463 2.406 20 0 DEADHO CCNC(=O)c1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)cc1 ZINC000156509162 197118615 /nfs/dbraw/zinc/11/86/15/197118615.db2.gz LLBGFHPWAJOQEG-GRDNDAEWSA-N 1 3 303.450 2.255 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000155576059 197068564 /nfs/dbraw/zinc/06/85/64/197068564.db2.gz MQBDCFFXVKLJAT-HUUCEWRRSA-N 1 3 319.449 2.092 20 0 DEADHO COc1ccc([C@H](NCCN(C)C(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422879500 533194466 /nfs/dbraw/zinc/19/44/66/533194466.db2.gz MEGGACSTCHXAJV-MSOLQXFVSA-N 1 3 305.466 2.418 20 0 DEADHO C[C@@H]([NH2+]CCc1cn[nH]c1)c1ccc(OCCN(C)C)cc1 ZINC000289661650 221137426 /nfs/dbraw/zinc/13/74/26/221137426.db2.gz GSLDAPQLURCJAL-CQSZACIVSA-N 1 3 302.422 2.243 20 0 DEADHO Cc1cccc(CN2CCC(C(=O)NCC[NH+](C)C)CC2)c1F ZINC000294869428 224275378 /nfs/dbraw/zinc/27/53/78/224275378.db2.gz QBRJVPIVUNBYFL-UHFFFAOYSA-N 1 3 321.440 2.024 20 0 DEADHO CCN1CCN(CCC[NH2+]Cc2ccc3cnccc3c2)CC1 ZINC000683765544 542493977 /nfs/dbraw/zinc/49/39/77/542493977.db2.gz VDWYZWOVGHYJSQ-UHFFFAOYSA-N 1 3 312.461 2.352 20 0 DEADHO CN1CCN(CCCC[NH2+]Cc2ccc3cnccc3c2)CC1 ZINC000683765487 542494033 /nfs/dbraw/zinc/49/40/33/542494033.db2.gz QYLMVLMUQBEMPS-UHFFFAOYSA-N 1 3 312.461 2.352 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000289892419 221298062 /nfs/dbraw/zinc/29/80/62/221298062.db2.gz MOOBMWNTWRVADI-SJLPKXTDSA-N 1 3 315.461 2.109 20 0 DEADHO CC(C)CN(CCN(C)C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000121167451 195301747 /nfs/dbraw/zinc/30/17/47/195301747.db2.gz DEZMGYSJDAVYJV-OAHLLOKOSA-N 1 3 314.518 2.192 20 0 DEADHO C[C@@H](NCc1ccc(OC2CCN(C)CC2)cc1)[C@H]1CCC[NH2+]1 ZINC000423099940 533447656 /nfs/dbraw/zinc/44/76/56/533447656.db2.gz FVLMIIPPZFPTBV-DNVCBOLYSA-N 1 3 317.477 2.390 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N(CCC[NH3+])CC2CCCC2)CCN1C ZINC000417749782 533610544 /nfs/dbraw/zinc/61/05/44/533610544.db2.gz JRUWDDBAIOFICJ-ZBFHGGJFSA-N 1 3 310.486 2.020 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+]2CCC[C@@](C)(O)CC2)cc1 ZINC000684412982 542603178 /nfs/dbraw/zinc/60/31/78/542603178.db2.gz JLVNDLRIWGLXBR-GOSISDBHSA-N 1 3 306.450 2.364 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+]2CCC[C@@](C)(O)CC2)cc1 ZINC000684412982 542603182 /nfs/dbraw/zinc/60/31/82/542603182.db2.gz JLVNDLRIWGLXBR-GOSISDBHSA-N 1 3 306.450 2.364 20 0 DEADHO Cc1ncsc1CN(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457557 542727294 /nfs/dbraw/zinc/72/72/94/542727294.db2.gz DXGKZAMFQGWSRE-HNNXBMFYSA-N 1 3 308.495 2.052 20 0 DEADHO C[C@@H]([NH2+]C[C@]1(O)CCSC1)c1cccc(OCCN(C)C)c1 ZINC000305178053 132606953 /nfs/dbraw/zinc/60/69/53/132606953.db2.gz VQTSAWVOBYWUMZ-RHSMWYFYSA-N 1 3 324.490 2.146 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000355414054 133025282 /nfs/dbraw/zinc/02/52/82/133025282.db2.gz YJJHBBAYUQSHJB-VQHPVUNQSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](NC(=O)NC[C@H](C)C[NH+]1CCCCC1)C1=CCN(C)CC1 ZINC000357879232 133106497 /nfs/dbraw/zinc/10/64/97/133106497.db2.gz VKGACJPUWSZBFH-JKSUJKDBSA-N 1 3 322.497 2.058 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H](C)CN1CCCCC1 ZINC000357996007 133114265 /nfs/dbraw/zinc/11/42/65/133114265.db2.gz WBXJSXQASNMRCW-JKSUJKDBSA-N 1 3 312.502 2.280 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H](C)CN1CCCCC1 ZINC000357996007 133114266 /nfs/dbraw/zinc/11/42/66/133114266.db2.gz WBXJSXQASNMRCW-JKSUJKDBSA-N 1 3 312.502 2.280 20 0 DEADHO CCC1CCC(N(C)CC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000362466244 133231797 /nfs/dbraw/zinc/23/17/97/133231797.db2.gz FIGQTJSGUYZHDY-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000362606461 133241643 /nfs/dbraw/zinc/24/16/43/133241643.db2.gz OSUASKYAAJEEQL-ATLSCFEFSA-N 1 3 315.461 2.136 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000362606461 133241644 /nfs/dbraw/zinc/24/16/44/133241644.db2.gz OSUASKYAAJEEQL-ATLSCFEFSA-N 1 3 315.461 2.136 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(C3CCCCC3)CC2)CC[N@@H+]1C ZINC000362723637 133248074 /nfs/dbraw/zinc/24/80/74/133248074.db2.gz NIJZIAIYHGXISE-CVEARBPZSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(C3CCCCC3)CC2)CC[N@H+]1C ZINC000362723637 133248075 /nfs/dbraw/zinc/24/80/75/133248075.db2.gz NIJZIAIYHGXISE-CVEARBPZSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000362746605 133249182 /nfs/dbraw/zinc/24/91/82/133249182.db2.gz JDWGXYKOLDFBKR-YQQAZPJKSA-N 1 3 317.477 2.430 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000362746605 133249183 /nfs/dbraw/zinc/24/91/83/133249183.db2.gz JDWGXYKOLDFBKR-YQQAZPJKSA-N 1 3 317.477 2.430 20 0 DEADHO CC1CCN(CC(=O)N2CCC(C)([NH2+]CCC3CC3)CC2)CC1 ZINC001368660035 1148557902 /nfs/dbraw/zinc/55/79/02/1148557902.db2.gz NXESOZGXLLJZGS-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000563092507 292030905 /nfs/dbraw/zinc/03/09/05/292030905.db2.gz OICLYCKTDNTEML-ZMSDIMECSA-N 1 3 318.465 2.076 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000563725217 292071367 /nfs/dbraw/zinc/07/13/67/292071367.db2.gz XYBQLCXFSIGBDV-UHFFFAOYSA-N 1 3 301.434 2.092 20 0 DEADHO N[C@H]1C[C@H]([NH2+]CCc2cn3c(n2)SCC3)c2ccccc21 ZINC000564823220 292113111 /nfs/dbraw/zinc/11/31/11/292113111.db2.gz DLUPQCOQHOKQTE-GJZGRUSLSA-N 1 3 300.431 2.266 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC=C(C)C ZINC000190655291 145045497 /nfs/dbraw/zinc/04/54/97/145045497.db2.gz NSALKNIZIWLJFX-MRXNPFEDSA-N 1 3 310.486 2.010 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC=C(C)C ZINC000190655291 145045498 /nfs/dbraw/zinc/04/54/98/145045498.db2.gz NSALKNIZIWLJFX-MRXNPFEDSA-N 1 3 310.486 2.010 20 0 DEADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(C(=O)C3CCCCC3)C2)[C@@H](C)C1 ZINC000246955840 145120510 /nfs/dbraw/zinc/12/05/10/145120510.db2.gz HPBJTGKSLXZIGV-SZMVWBNQSA-N 1 3 321.509 2.488 20 0 DEADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(C(=O)C3CCCCC3)C2)[C@@H](C)C1 ZINC000246955840 145120512 /nfs/dbraw/zinc/12/05/12/145120512.db2.gz HPBJTGKSLXZIGV-SZMVWBNQSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1cccc(OC[C@H](O)C[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)c1 ZINC000248057553 145147744 /nfs/dbraw/zinc/14/77/44/145147744.db2.gz XRRMFRXGHKSLEX-LMMKCTJWSA-N 1 3 318.461 2.151 20 0 DEADHO Cc1cccc(OC[C@H](O)C[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)c1 ZINC000248057553 145147746 /nfs/dbraw/zinc/14/77/46/145147746.db2.gz XRRMFRXGHKSLEX-LMMKCTJWSA-N 1 3 318.461 2.151 20 0 DEADHO c1sc2ccccc2c1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261717702 145219796 /nfs/dbraw/zinc/21/97/96/145219796.db2.gz PUFSOABLCAHEII-OAHLLOKOSA-N 1 3 301.459 2.381 20 0 DEADHO Cc1ccc(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261901231 145239502 /nfs/dbraw/zinc/23/95/02/145239502.db2.gz OWVAZAHMLOUOEF-ZWKOTPCHSA-N 1 3 315.461 2.075 20 0 DEADHO CCc1cccc(Cl)c1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262072024 145258977 /nfs/dbraw/zinc/25/89/77/145258977.db2.gz CORZOPWFPLQPFZ-OAHLLOKOSA-N 1 3 307.869 2.382 20 0 DEADHO C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H](N)c1ccccc1 ZINC000262109094 145262445 /nfs/dbraw/zinc/26/24/45/145262445.db2.gz JRDMUJOCKTVYLO-MXASKKJJSA-N 1 3 301.434 2.018 20 0 DEADHO C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H](N)c1ccccc1 ZINC000262109094 145262446 /nfs/dbraw/zinc/26/24/46/145262446.db2.gz JRDMUJOCKTVYLO-MXASKKJJSA-N 1 3 301.434 2.018 20 0 DEADHO c1c2ccccc2sc1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262155217 145267132 /nfs/dbraw/zinc/26/71/32/145267132.db2.gz RURKXPYTRPLHFL-OAHLLOKOSA-N 1 3 301.459 2.381 20 0 DEADHO CCN(CCC[NH+](CC)CC)C(=O)[C@@H](CN)c1ccccc1 ZINC000319941319 145373537 /nfs/dbraw/zinc/37/35/37/145373537.db2.gz LAPSUZNBYYTPCO-KRWDZBQOSA-N 1 3 305.466 2.309 20 0 DEADHO c1cncc(CN2CCC(N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)c1 ZINC000346106681 146016564 /nfs/dbraw/zinc/01/65/64/146016564.db2.gz SKTSXANJXAFMJD-MOPGFXCFSA-N 1 3 314.477 2.262 20 0 DEADHO c1cncc(CN2CCC(N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)c1 ZINC000346106681 146016566 /nfs/dbraw/zinc/01/65/66/146016566.db2.gz SKTSXANJXAFMJD-MOPGFXCFSA-N 1 3 314.477 2.262 20 0 DEADHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)[C@H]1CCCO1 ZINC000346473037 146087940 /nfs/dbraw/zinc/08/79/40/146087940.db2.gz DWRUBZAXPIYDDF-VQIMIIECSA-N 1 3 317.477 2.091 20 0 DEADHO CCC[N@H+](Cc1cnc2c(c1)c(C)nn2C)C1CCNCC1 ZINC000347112656 146196045 /nfs/dbraw/zinc/19/60/45/146196045.db2.gz RHENIABOYOGTMY-UHFFFAOYSA-N 1 3 301.438 2.241 20 0 DEADHO CCC[N@@H+](Cc1cnc2c(c1)c(C)nn2C)C1CCNCC1 ZINC000347112656 146196047 /nfs/dbraw/zinc/19/60/47/146196047.db2.gz RHENIABOYOGTMY-UHFFFAOYSA-N 1 3 301.438 2.241 20 0 DEADHO C[C@H](N[C@H](CO)[C@@H]1CCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348364812 146261586 /nfs/dbraw/zinc/26/15/86/146261586.db2.gz CSZFUHZZBFIJSX-KANFNMMFSA-N 1 3 318.461 2.027 20 0 DEADHO C[C@H](N[C@H](CO)[C@@H]1CCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348364812 146261587 /nfs/dbraw/zinc/26/15/87/146261587.db2.gz CSZFUHZZBFIJSX-KANFNMMFSA-N 1 3 318.461 2.027 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+](C)C2CC(OC)C2)CC1 ZINC000348699996 146299199 /nfs/dbraw/zinc/29/91/99/146299199.db2.gz BEHRZQNLVABGBK-UHFFFAOYSA-N 1 3 317.477 2.438 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+](C)C2CC(OC)C2)CC1 ZINC000348699996 146299200 /nfs/dbraw/zinc/29/92/00/146299200.db2.gz BEHRZQNLVABGBK-UHFFFAOYSA-N 1 3 317.477 2.438 20 0 DEADHO Cc1[nH]nc2ncc(CN3CC[C@H](C4CC[NH+](C)CC4)C3)cc12 ZINC000349179799 146356477 /nfs/dbraw/zinc/35/64/77/146356477.db2.gz COCFFTZYTXXRHS-INIZCTEOSA-N 1 3 313.449 2.430 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](C)[C@H](O)C2)CC1 ZINC000349411477 146376352 /nfs/dbraw/zinc/37/63/52/146376352.db2.gz XLWJTYHZKTZXBA-QFBILLFUSA-N 1 3 317.477 2.031 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@H](C)[C@H](O)C2)CC1 ZINC000349411477 146376355 /nfs/dbraw/zinc/37/63/55/146376355.db2.gz XLWJTYHZKTZXBA-QFBILLFUSA-N 1 3 317.477 2.031 20 0 DEADHO CC[N@H+](CCC1CCN([C@@H](C)C(=O)NC2CC2)CC1)CC1CC1 ZINC000357071879 147034888 /nfs/dbraw/zinc/03/48/88/147034888.db2.gz CMLNSNULEVPZLM-HNNXBMFYSA-N 1 3 321.509 2.488 20 0 DEADHO CC[N@@H+](CCC1CCN([C@@H](C)C(=O)NC2CC2)CC1)CC1CC1 ZINC000357071879 147034889 /nfs/dbraw/zinc/03/48/89/147034889.db2.gz CMLNSNULEVPZLM-HNNXBMFYSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357093300 147040628 /nfs/dbraw/zinc/04/06/28/147040628.db2.gz XYGFTXHYBIRSJU-UXLLHSPISA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](CNC(=O)[C@@H](CN)c1ccc(F)cc1)[N@@H+]1CCCC[C@H]1C ZINC000358853800 147219521 /nfs/dbraw/zinc/21/95/21/147219521.db2.gz INGQCEUESFMENF-CPUCHLNUSA-N 1 3 321.440 2.247 20 0 DEADHO C[C@H](CNC(=O)[C@@H](CN)c1ccc(F)cc1)[N@H+]1CCCC[C@H]1C ZINC000358853800 147219523 /nfs/dbraw/zinc/21/95/23/147219523.db2.gz INGQCEUESFMENF-CPUCHLNUSA-N 1 3 321.440 2.247 20 0 DEADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000359014071 147247156 /nfs/dbraw/zinc/24/71/56/147247156.db2.gz KMCWLRIUKPBMHP-BHIYHBOVSA-N 1 3 301.478 2.438 20 0 DEADHO CO[C@H](C[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1)C1CC1 ZINC000425395344 285998054 /nfs/dbraw/zinc/99/80/54/285998054.db2.gz NEVWZDRLOCHQIB-RLFYNMQTSA-N 1 3 310.482 2.233 20 0 DEADHO C[C@@H]1C[C@@H](C(=O)N(CC[NH3+])CCc2ccccc2)C[C@H](C)O1 ZINC000565659802 292175448 /nfs/dbraw/zinc/17/54/48/292175448.db2.gz HEWSEVSHHBIGCC-SCAQPMJSSA-N 1 3 304.434 2.220 20 0 DEADHO C[C@@H]1CCO[C@@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000565661506 292175501 /nfs/dbraw/zinc/17/55/01/292175501.db2.gz PFNFSFRGYHDUAE-UWWQBHOKSA-N 1 3 302.418 2.192 20 0 DEADHO C[C@@H]1CCO[C@@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000565661506 292175503 /nfs/dbraw/zinc/17/55/03/292175503.db2.gz PFNFSFRGYHDUAE-UWWQBHOKSA-N 1 3 302.418 2.192 20 0 DEADHO COc1ccc2c(ncnc2N2CC[C@]3(C2)CCC[NH2+]C3)c1F ZINC000565648376 292175141 /nfs/dbraw/zinc/17/51/41/292175141.db2.gz OJOCGWNHOXYZCN-QGZVFWFLSA-N 1 3 316.380 2.357 20 0 DEADHO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@]1(F)CCNC1 ZINC000371270387 148079947 /nfs/dbraw/zinc/07/99/47/148079947.db2.gz DXZRGSVZBLETNH-SFHVURJKSA-N 1 3 319.424 2.355 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N1CC[C@H]2CCN(C)C[C@@H]21)C(C)C ZINC000371568524 148119098 /nfs/dbraw/zinc/11/90/98/148119098.db2.gz JUMMMPUBJHDXBI-SJORKVTESA-N 1 3 324.513 2.231 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000565845027 292186837 /nfs/dbraw/zinc/18/68/37/292186837.db2.gz ISUMPCOGUPVELM-HRCADAONSA-N 1 3 310.486 2.018 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)C[C@@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000372486470 292199004 /nfs/dbraw/zinc/19/90/04/292199004.db2.gz WVPSZXJUGBPXPL-SJLPKXTDSA-N 1 3 317.477 2.494 20 0 DEADHO CCC(=O)N1CC[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000126357841 401690699 /nfs/dbraw/zinc/69/06/99/401690699.db2.gz GDIFVRZWPQSQAV-MRXNPFEDSA-N 1 3 307.482 2.384 20 0 DEADHO CC[C@H](C(=O)NC1CC[NH+](Cc2ccccc2C)CC1)N(C)C ZINC000126438861 401694574 /nfs/dbraw/zinc/69/45/74/401694574.db2.gz BKQWFKOHOGMCCW-GOSISDBHSA-N 1 3 317.477 2.416 20 0 DEADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC2CCN(C)CC2)C1 ZINC000071923108 401697855 /nfs/dbraw/zinc/69/78/55/401697855.db2.gz MPECKXVDQNSMFG-HOTGVXAUSA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)N(C)CC(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000126700025 401705139 /nfs/dbraw/zinc/70/51/39/401705139.db2.gz DFODTVQKDGLABU-UHFFFAOYSA-N 1 3 309.429 2.056 20 0 DEADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(F)cc1 ZINC000128158646 401765447 /nfs/dbraw/zinc/76/54/47/401765447.db2.gz SJQCTQDYCMMVEX-HIFRSBDPSA-N 1 3 307.413 2.064 20 0 DEADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+]CC2CC2)cc1 ZINC000130182772 401821881 /nfs/dbraw/zinc/82/18/81/401821881.db2.gz NQLCDUIAADRPRN-UHFFFAOYSA-N 1 3 301.434 2.012 20 0 DEADHO CCC[N@@H+]1CC[C@@H](CN[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000131738216 401856066 /nfs/dbraw/zinc/85/60/66/401856066.db2.gz QWQRNQAGWXLPEB-LSDHHAIUSA-N 1 3 311.470 2.317 20 0 DEADHO CCC[N@H+]1CC[C@@H](CN[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000131738216 401856067 /nfs/dbraw/zinc/85/60/67/401856067.db2.gz QWQRNQAGWXLPEB-LSDHHAIUSA-N 1 3 311.470 2.317 20 0 DEADHO CCCN1CC[C@@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000131738216 401856069 /nfs/dbraw/zinc/85/60/69/401856069.db2.gz QWQRNQAGWXLPEB-LSDHHAIUSA-N 1 3 311.470 2.317 20 0 DEADHO CN(CCC(=O)N1CCc2ccccc21)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841303 401911342 /nfs/dbraw/zinc/91/13/42/401911342.db2.gz SJQXZFKYLGUASY-MRXNPFEDSA-N 1 3 315.461 2.239 20 0 DEADHO CN(CCC(=O)N1CCc2ccccc21)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841303 401911343 /nfs/dbraw/zinc/91/13/43/401911343.db2.gz SJQXZFKYLGUASY-MRXNPFEDSA-N 1 3 315.461 2.239 20 0 DEADHO C[C@H](CNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C)C[NH+]1CCCCC1 ZINC000085393709 401915443 /nfs/dbraw/zinc/91/54/43/401915443.db2.gz HXWVACKMOFTFKH-ZACQAIPSSA-N 1 3 324.513 2.090 20 0 DEADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000089614408 401954065 /nfs/dbraw/zinc/95/40/65/401954065.db2.gz BQMXHKMOJCOIJK-LSDHHAIUSA-N 1 3 311.470 2.460 20 0 DEADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000089614408 401954066 /nfs/dbraw/zinc/95/40/66/401954066.db2.gz BQMXHKMOJCOIJK-LSDHHAIUSA-N 1 3 311.470 2.460 20 0 DEADHO COc1cc(NCCN[C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc(OC)c1 ZINC000090719742 401987096 /nfs/dbraw/zinc/98/70/96/401987096.db2.gz FEBUCYYYXAKRLL-GLJUWKHASA-N 1 3 321.465 2.434 20 0 DEADHO COc1cc(NCCN[C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc(OC)c1 ZINC000090719742 401987099 /nfs/dbraw/zinc/98/70/99/401987099.db2.gz FEBUCYYYXAKRLL-GLJUWKHASA-N 1 3 321.465 2.434 20 0 DEADHO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H]2CCCN2C)c1 ZINC000141299355 401989861 /nfs/dbraw/zinc/98/98/61/401989861.db2.gz PHQROXIBTDLZCA-QGZVFWFLSA-N 1 3 318.465 2.032 20 0 DEADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H]2CCCN2C)c1 ZINC000141299355 401989865 /nfs/dbraw/zinc/98/98/65/401989865.db2.gz PHQROXIBTDLZCA-QGZVFWFLSA-N 1 3 318.465 2.032 20 0 DEADHO COc1ccc([C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cc1 ZINC000150991727 402009362 /nfs/dbraw/zinc/00/93/62/402009362.db2.gz NHHMLDABOXNHHO-HNNXBMFYSA-N 1 3 305.466 2.372 20 0 DEADHO C[C@@H](C(=O)NCC[NH+](C)C)N1CCC(Cc2ccccc2)CC1 ZINC000096280602 402076156 /nfs/dbraw/zinc/07/61/56/402076156.db2.gz QANHLEQDTNMMRC-INIZCTEOSA-N 1 3 317.477 2.007 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000123832417 402149305 /nfs/dbraw/zinc/14/93/05/402149305.db2.gz NZURPQSYUHMTLF-AHCXZYCDSA-N 1 3 321.509 2.486 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000123832417 402149307 /nfs/dbraw/zinc/14/93/07/402149307.db2.gz NZURPQSYUHMTLF-AHCXZYCDSA-N 1 3 321.509 2.486 20 0 DEADHO C[C@@H](CC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1F ZINC000103213318 402182109 /nfs/dbraw/zinc/18/21/09/402182109.db2.gz YHIOMKZXCHMSCR-HNNXBMFYSA-N 1 3 323.456 2.271 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)CN(CC)CC)[NH+](C)C)cc1 ZINC000067997973 402182279 /nfs/dbraw/zinc/18/22/79/402182279.db2.gz JPTISKKWPMBZTQ-QGZVFWFLSA-N 1 3 305.466 2.310 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N(C)C ZINC000125119947 402214319 /nfs/dbraw/zinc/21/43/19/402214319.db2.gz YSSFLLPJPWVVLJ-ZWKOTPCHSA-N 1 3 317.477 2.007 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N(C)C ZINC000125119947 402214322 /nfs/dbraw/zinc/21/43/22/402214322.db2.gz YSSFLLPJPWVVLJ-ZWKOTPCHSA-N 1 3 317.477 2.007 20 0 DEADHO COCC[NH+]1CCC(N[C@@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC000154861939 402236770 /nfs/dbraw/zinc/23/67/70/402236770.db2.gz WINLLWNEQINRTP-FPTDNZKUSA-N 1 3 324.490 2.185 20 0 DEADHO C[C@H](CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)N(C)C1CC1 ZINC000105179799 402206642 /nfs/dbraw/zinc/20/66/42/402206642.db2.gz WSAIRCBCUYWJIA-LSDHHAIUSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@H](CNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)N(C)C1CC1 ZINC000105179799 402206644 /nfs/dbraw/zinc/20/66/44/402206644.db2.gz WSAIRCBCUYWJIA-LSDHHAIUSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@H]1C[C@@H](C[NH3+])CN1CCOc1cccc(Br)c1 ZINC000216161654 402286805 /nfs/dbraw/zinc/28/68/05/402286805.db2.gz SMSGZGOXZIPRSQ-RYUDHWBXSA-N 1 3 313.239 2.497 20 0 DEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CCN(C)C)C1 ZINC000176349723 402302213 /nfs/dbraw/zinc/30/22/13/402302213.db2.gz GSBGZGWREJKXBP-OAHLLOKOSA-N 1 3 312.502 2.090 20 0 DEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CCN(C)C)C1 ZINC000176349723 402302214 /nfs/dbraw/zinc/30/22/14/402302214.db2.gz GSBGZGWREJKXBP-OAHLLOKOSA-N 1 3 312.502 2.090 20 0 DEADHO CN(CCC(=O)Nc1cc(N)ccc1F)C[C@H]1CCC[N@H+](C)C1 ZINC000177079723 402367761 /nfs/dbraw/zinc/36/77/61/402367761.db2.gz DAALEPNYEURCPL-ZDUSSCGKSA-N 1 3 322.428 2.010 20 0 DEADHO CN(CCC(=O)Nc1cc(N)ccc1F)C[C@H]1CCC[N@@H+](C)C1 ZINC000177079723 402367763 /nfs/dbraw/zinc/36/77/63/402367763.db2.gz DAALEPNYEURCPL-ZDUSSCGKSA-N 1 3 322.428 2.010 20 0 DEADHO CC(C)(C[NH3+])C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000236605221 402367878 /nfs/dbraw/zinc/36/78/78/402367878.db2.gz IHLYRKKMRCOCOZ-UHFFFAOYSA-N 1 3 309.479 2.061 20 0 DEADHO CCCC[C@@H]([NH3+])C(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000236755486 402379945 /nfs/dbraw/zinc/37/99/45/402379945.db2.gz WRSORBQVISMKSX-QZTJIDSGSA-N 1 3 317.477 2.457 20 0 DEADHO CC1CCC(N2CCN(C(=O)[C@H]3CCC[C@@H]([NH3+])C3)CC2)CC1 ZINC000236788833 402382455 /nfs/dbraw/zinc/38/24/55/402382455.db2.gz PMDRYWPMGWIIBH-VUROTCPHSA-N 1 3 307.482 2.227 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@@H](C[NH3+])C(C)C)c1ccccc1 ZINC000236826296 402384689 /nfs/dbraw/zinc/38/46/89/402384689.db2.gz XIFZSXKDPKTXIG-IRXDYDNUSA-N 1 3 305.466 2.417 20 0 DEADHO CC(C)O[C@@H]1C[C@H]([NH2+]C2CCN(CCN(C)C)CC2)C1(C)C ZINC000185195677 402332744 /nfs/dbraw/zinc/33/27/44/402332744.db2.gz VVGTZARMZPTAFP-DLBZAZTESA-N 1 3 311.514 2.194 20 0 DEADHO C[C@@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)N(C)C1CC1 ZINC000161704726 402396396 /nfs/dbraw/zinc/39/63/96/402396396.db2.gz ZOTBRIIUHYILPS-HNNXBMFYSA-N 1 3 324.513 2.233 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@]2(C)CCCC[NH2+]2)N(C)C)cc1 ZINC000237202409 402399361 /nfs/dbraw/zinc/39/93/61/402399361.db2.gz ILTKRVVEXXVFNR-AEFFLSMTSA-N 1 3 303.450 2.246 20 0 DEADHO C[C@@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)[C@H]1C[NH3+] ZINC000237444543 402408429 /nfs/dbraw/zinc/40/84/29/402408429.db2.gz GBLAVULBEWRSSI-QAPCUYQASA-N 1 3 315.461 2.482 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)CC2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000237530337 402411167 /nfs/dbraw/zinc/41/11/67/402411167.db2.gz SUVWEHCFZDRFTB-MAUKXSAKSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000237540275 402411932 /nfs/dbraw/zinc/41/19/32/402411932.db2.gz XLJHRWCYOOLPBP-NUEKZKHPSA-N 1 3 303.450 2.139 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000237540275 402411935 /nfs/dbraw/zinc/41/19/35/402411935.db2.gz XLJHRWCYOOLPBP-NUEKZKHPSA-N 1 3 303.450 2.139 20 0 DEADHO C[C@H](C[NH3+])N(C)C(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000237616745 402415454 /nfs/dbraw/zinc/41/54/54/402415454.db2.gz WEPWCKOSGMYOFD-HZPDHXFCSA-N 1 3 317.477 2.135 20 0 DEADHO C[C@H]1CCCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000177793294 402436905 /nfs/dbraw/zinc/43/69/05/402436905.db2.gz ZKSDYRPMHXCYBH-RDJZCZTQSA-N 1 3 303.450 2.137 20 0 DEADHO CCN(CCNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000245391354 402454648 /nfs/dbraw/zinc/45/46/48/402454648.db2.gz PSFGJIGLEYMWPJ-OAHLLOKOSA-N 1 3 324.513 2.280 20 0 DEADHO CCN(CCNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000245391354 402454652 /nfs/dbraw/zinc/45/46/52/402454652.db2.gz PSFGJIGLEYMWPJ-OAHLLOKOSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)(CNC(=O)C[C@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000164924909 402470697 /nfs/dbraw/zinc/47/06/97/402470697.db2.gz MSBAWBPCZBKVHN-QGZVFWFLSA-N 1 3 315.461 2.082 20 0 DEADHO O=C(C[C@@H]1CCC[NH2+]1)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000165898466 402480014 /nfs/dbraw/zinc/48/00/14/402480014.db2.gz LFSGMBOURBHMBT-ZWKOTPCHSA-N 1 3 315.461 2.299 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000167326178 402490457 /nfs/dbraw/zinc/49/04/57/402490457.db2.gz ATWRACLYHOMTDN-INIZCTEOSA-N 1 3 318.465 2.017 20 0 DEADHO C[C@H](CNC(=O)C1(C[NH3+])CCCC1)N(C)Cc1ccccc1 ZINC000168752231 402498651 /nfs/dbraw/zinc/49/86/51/402498651.db2.gz KWYRENRELGRCRF-OAHLLOKOSA-N 1 3 303.450 2.142 20 0 DEADHO C[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H](N)c1ccccc1 ZINC000246836478 402546752 /nfs/dbraw/zinc/54/67/52/402546752.db2.gz ZQSNDFDCYULBNN-POGJWJPPSA-N 1 3 315.461 2.454 20 0 DEADHO C[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H](N)c1ccccc1 ZINC000246836478 402546753 /nfs/dbraw/zinc/54/67/53/402546753.db2.gz ZQSNDFDCYULBNN-POGJWJPPSA-N 1 3 315.461 2.454 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000246924713 402549964 /nfs/dbraw/zinc/54/99/64/402549964.db2.gz SSNFFPRVYMBANE-HZPDHXFCSA-N 1 3 312.502 2.088 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000246924713 402549965 /nfs/dbraw/zinc/54/99/65/402549965.db2.gz SSNFFPRVYMBANE-HZPDHXFCSA-N 1 3 312.502 2.088 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)CC1 ZINC000246188825 402516663 /nfs/dbraw/zinc/51/66/63/402516663.db2.gz ICXLGTSTMMMDDH-NVXWUHKLSA-N 1 3 324.513 2.088 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000170719238 402517331 /nfs/dbraw/zinc/51/73/31/402517331.db2.gz FZRXHUAKADDYMK-QGZVFWFLSA-N 1 3 316.449 2.450 20 0 DEADHO C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1(N2CCOCC2)CCCCC1 ZINC000246201703 402518110 /nfs/dbraw/zinc/51/81/10/402518110.db2.gz DTVOMMCOFNVWPO-ROUUACIJSA-N 1 3 321.509 2.238 20 0 DEADHO C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)C1(N2CCOCC2)CCCCC1 ZINC000246201703 402518113 /nfs/dbraw/zinc/51/81/13/402518113.db2.gz DTVOMMCOFNVWPO-ROUUACIJSA-N 1 3 321.509 2.238 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)C1 ZINC000246266651 402522214 /nfs/dbraw/zinc/52/22/14/402522214.db2.gz ACCCAOBYHDGFOH-YYIAUSFCSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)C1 ZINC000246266651 402522218 /nfs/dbraw/zinc/52/22/18/402522218.db2.gz ACCCAOBYHDGFOH-YYIAUSFCSA-N 1 3 309.498 2.342 20 0 DEADHO CCCN(CCC[NH+](C)C)C(=O)N[C@H](C)CN1CCCCC1 ZINC000188621484 402522277 /nfs/dbraw/zinc/52/22/77/402522277.db2.gz JPLPSPXIPXGAPK-MRXNPFEDSA-N 1 3 312.502 2.234 20 0 DEADHO C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)N(C)C)[C@H]1C ZINC000249362852 402626827 /nfs/dbraw/zinc/62/68/27/402626827.db2.gz TYEKTPHYXMWQDR-VYDXJSESSA-N 1 3 303.450 2.136 20 0 DEADHO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)N(C)C)[C@H]1C ZINC000249362852 402626830 /nfs/dbraw/zinc/62/68/30/402626830.db2.gz TYEKTPHYXMWQDR-VYDXJSESSA-N 1 3 303.450 2.136 20 0 DEADHO C[C@@H](CCNC(=O)NCCN1CCC[C@H](C)C1)[NH+]1CCCCC1 ZINC000248447016 402590782 /nfs/dbraw/zinc/59/07/82/402590782.db2.gz GIUMHNFNKVCGDE-IRXDYDNUSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@@H]1CC[C@H](C[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)O1 ZINC000190503941 402606306 /nfs/dbraw/zinc/60/63/06/402606306.db2.gz ORNSQSLPFOZOJX-XLMAVXFVSA-N 1 3 310.482 2.375 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000249791973 402642645 /nfs/dbraw/zinc/64/26/45/402642645.db2.gz VHNLHWCQESCHPO-ZACQAIPSSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000249791973 402642647 /nfs/dbraw/zinc/64/26/47/402642647.db2.gz VHNLHWCQESCHPO-ZACQAIPSSA-N 1 3 324.513 2.280 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H](C)[C@@H](C)[NH3+])N2CCCC2)cc1 ZINC000192103958 402711281 /nfs/dbraw/zinc/71/12/81/402711281.db2.gz YZCUMNTVKSWCJU-UXLLHSPISA-N 1 3 303.450 2.231 20 0 DEADHO Cc1cccc(C)c1C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000172532019 402660880 /nfs/dbraw/zinc/66/08/80/402660880.db2.gz BRKYFKVPGCHJGR-UHFFFAOYSA-N 1 3 317.477 2.193 20 0 DEADHO O=C(NCC[C@H]1CC[NH2+]C1)c1cccc(CN2CCCC2)c1 ZINC000262581556 402727733 /nfs/dbraw/zinc/72/77/33/402727733.db2.gz PYEVJFRXQQGFFB-OAHLLOKOSA-N 1 3 301.434 2.012 20 0 DEADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2cccc(O)c2)CC1 ZINC000192787587 402749974 /nfs/dbraw/zinc/74/99/74/402749974.db2.gz XZXJSWWUXXRTME-INIZCTEOSA-N 1 3 305.466 2.459 20 0 DEADHO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000262358034 402724917 /nfs/dbraw/zinc/72/49/17/402724917.db2.gz WAFJWKBXJZBHQT-BRWVUGGUSA-N 1 3 301.434 2.067 20 0 DEADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262373470 402725036 /nfs/dbraw/zinc/72/50/36/402725036.db2.gz MAQPVPZTPVGMMS-XLMAVXFVSA-N 1 3 307.482 2.003 20 0 DEADHO C[C@H](C[S@](C)=O)N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000184297240 402833743 /nfs/dbraw/zinc/83/37/43/402833743.db2.gz CBNGMTVXRDJDRJ-YPENRWOSSA-N 1 3 312.479 2.045 20 0 DEADHO Cc1n[nH]c(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)n1 ZINC000272482065 402942416 /nfs/dbraw/zinc/94/24/16/402942416.db2.gz AZLXTDRSLJGAEO-WMLDXEAASA-N 1 3 313.449 2.156 20 0 DEADHO Cc1nc(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)n[nH]1 ZINC000272482065 402942417 /nfs/dbraw/zinc/94/24/17/402942417.db2.gz AZLXTDRSLJGAEO-WMLDXEAASA-N 1 3 313.449 2.156 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C1CC[NH2+]CC1 ZINC000272482442 402942668 /nfs/dbraw/zinc/94/26/68/402942668.db2.gz RWOKIZPLHVSXCI-CRAIPNDOSA-N 1 3 315.461 2.013 20 0 DEADHO CC(C)C(=O)NCC[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272566013 402954055 /nfs/dbraw/zinc/95/40/55/402954055.db2.gz HICCITOHQJTWKK-AEFFLSMTSA-N 1 3 317.477 2.259 20 0 DEADHO CC(C)C(=O)NCCN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272566013 402954056 /nfs/dbraw/zinc/95/40/56/402954056.db2.gz HICCITOHQJTWKK-AEFFLSMTSA-N 1 3 317.477 2.259 20 0 DEADHO CC(C)C(=O)NCCN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272566013 402954058 /nfs/dbraw/zinc/95/40/58/402954058.db2.gz HICCITOHQJTWKK-AEFFLSMTSA-N 1 3 317.477 2.259 20 0 DEADHO OCc1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000272339065 402925294 /nfs/dbraw/zinc/92/52/94/402925294.db2.gz OFVKGXPJDWTOBP-UHFFFAOYSA-N 1 3 318.461 2.256 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@]2(C)CCC[NH2+]C2)N(C)C)cc1 ZINC000237145822 292253704 /nfs/dbraw/zinc/25/37/04/292253704.db2.gz KMXDOKQGXXYRHH-WMZOPIPTSA-N 1 3 303.450 2.104 20 0 DEADHO Cc1ccc([C@H](C[NH2+][C@H]2CCC[C@@H]2CN)N2CCOCC2)cc1 ZINC000422706610 292256255 /nfs/dbraw/zinc/25/62/55/292256255.db2.gz FMZQVDVQMCTCKC-QYZOEREBSA-N 1 3 317.477 2.085 20 0 DEADHO COc1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)cc1F ZINC000268410774 403080504 /nfs/dbraw/zinc/08/05/04/403080504.db2.gz HQOMWSPBPTWNGJ-UHFFFAOYSA-N 1 3 310.413 2.159 20 0 DEADHO COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccnc(OCCN(C)C)c1 ZINC000281976333 403110242 /nfs/dbraw/zinc/11/02/42/403110242.db2.gz BTWLMCAUVYSSMS-IRXDYDNUSA-N 1 3 321.465 2.317 20 0 DEADHO C[C@H](NCCC[N@@H+]1CCCN(C)CC1)c1ccc(Cl)cn1 ZINC000274955719 403098795 /nfs/dbraw/zinc/09/87/95/403098795.db2.gz VVBFWTUKYCMXDX-AWEZNQCLSA-N 1 3 310.873 2.413 20 0 DEADHO C[C@H](NCCC[N@H+]1CCCN(C)CC1)c1ccc(Cl)cn1 ZINC000274955719 403098797 /nfs/dbraw/zinc/09/87/97/403098797.db2.gz VVBFWTUKYCMXDX-AWEZNQCLSA-N 1 3 310.873 2.413 20 0 DEADHO CCN1CC[C@H]([NH2+]Cc2cccc(C(=O)NC3CC3)c2)[C@H](C)C1 ZINC000268788659 403114275 /nfs/dbraw/zinc/11/42/75/403114275.db2.gz BAIHSSNDEANJGV-KDOFPFPSSA-N 1 3 315.461 2.399 20 0 DEADHO COc1ccc([C@H](C)[C@@H](C)NC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000268814922 403116913 /nfs/dbraw/zinc/11/69/13/403116913.db2.gz FVNPQLOKYIRXJJ-INMHGKMJSA-N 1 3 306.450 2.234 20 0 DEADHO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282119327 403124352 /nfs/dbraw/zinc/12/43/52/403124352.db2.gz AQJDOPKABHIESY-AEFFLSMTSA-N 1 3 319.493 2.378 20 0 DEADHO COc1ccc([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000282296793 403140917 /nfs/dbraw/zinc/14/09/17/403140917.db2.gz MCDMUOFVFLNCOO-HNNXBMFYSA-N 1 3 305.466 2.372 20 0 DEADHO CCc1oc(CNCCC2CC[NH+](C)CC2)cc1C(=O)OC ZINC000338942777 403291673 /nfs/dbraw/zinc/29/16/73/403291673.db2.gz PBZBGVIDPCHFKP-UHFFFAOYSA-N 1 3 308.422 2.450 20 0 DEADHO CN(C)Cc1ccc(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)cc1 ZINC000566795617 292268591 /nfs/dbraw/zinc/26/85/91/292268591.db2.gz QTLGSEVDIXNGEB-MRXNPFEDSA-N 1 3 303.450 2.256 20 0 DEADHO CC1CCN(CC[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000298327577 403359527 /nfs/dbraw/zinc/35/95/27/403359527.db2.gz IQZHYXBHGMPVGU-UHFFFAOYSA-N 1 3 302.466 2.372 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)CC[C@H]2CCC[NH2+]2)CN1Cc1ccccc1 ZINC000292182527 403314226 /nfs/dbraw/zinc/31/42/26/403314226.db2.gz WWWBHMIAGUAAJQ-NXHRZFHOSA-N 1 3 315.461 2.298 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000342766421 403341208 /nfs/dbraw/zinc/34/12/08/403341208.db2.gz UQZTUZHKBLUYNS-LAQRGFTBSA-N 1 3 315.461 2.326 20 0 DEADHO Cc1ccc([C@H](O)C[NH2+]C2CCN(c3ccncc3)CC2)o1 ZINC000298532667 403407092 /nfs/dbraw/zinc/40/70/92/403407092.db2.gz SGDHXOAEQCILGV-MRXNPFEDSA-N 1 3 301.390 2.275 20 0 DEADHO C[C@@H](CCNC(=O)N[C@@H](C)C1=CCN(C)CC1)[NH+]1CCCCC1 ZINC000345728564 403458146 /nfs/dbraw/zinc/45/81/46/403458146.db2.gz NXSNPSGTISVDJH-HOTGVXAUSA-N 1 3 322.497 2.201 20 0 DEADHO C[C@H](CCNC(=O)N[C@@H]1CCCN(C)[C@@H]1C)[NH+]1CCCCC1 ZINC000345744502 403465721 /nfs/dbraw/zinc/46/57/21/403465721.db2.gz KNZMAVQWJSRPTE-BZUAXINKSA-N 1 3 310.486 2.033 20 0 DEADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H]1CCCN(C)[C@H]1C)CC2 ZINC000345759848 403472113 /nfs/dbraw/zinc/47/21/13/403472113.db2.gz UJGGXNIJAHOPED-YVSFHVDLSA-N 1 3 322.497 2.126 20 0 DEADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H]1CCCN(C)[C@H]1C)CC2 ZINC000345759848 403472116 /nfs/dbraw/zinc/47/21/16/403472116.db2.gz UJGGXNIJAHOPED-YVSFHVDLSA-N 1 3 322.497 2.126 20 0 DEADHO C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)CN(C)C ZINC000293718654 403546846 /nfs/dbraw/zinc/54/68/46/403546846.db2.gz PKZMZRSALWLRQS-KBPBESRZSA-N 1 3 305.422 2.492 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)NCC2=CCN(C)CC2)CC1 ZINC000343439472 403591600 /nfs/dbraw/zinc/59/16/00/403591600.db2.gz KOZRHZZYWUJTHB-UHFFFAOYSA-N 1 3 322.497 2.060 20 0 DEADHO [NH3+]CCC1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000566921844 292277219 /nfs/dbraw/zinc/27/72/19/292277219.db2.gz GNBXYAAQGWHNIA-GOSISDBHSA-N 1 3 315.461 2.238 20 0 DEADHO Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000566909799 292276335 /nfs/dbraw/zinc/27/63/35/292276335.db2.gz PEEOTKKFKJTIIU-MSOLQXFVSA-N 1 3 320.477 2.445 20 0 DEADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2nccnc2C)[C@H](C)C1 ZINC000340488539 403626340 /nfs/dbraw/zinc/62/63/40/403626340.db2.gz BMNYKIYRKFJKFN-NVXWUHKLSA-N 1 3 320.481 2.054 20 0 DEADHO CCOCCC[N@H+]1CC[C@@H](NCCc2nccnc2C)[C@H](C)C1 ZINC000340488539 403626342 /nfs/dbraw/zinc/62/63/42/403626342.db2.gz BMNYKIYRKFJKFN-NVXWUHKLSA-N 1 3 320.481 2.054 20 0 DEADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2cccc3c2OCO3)CC1 ZINC000333122304 403671468 /nfs/dbraw/zinc/67/14/68/403671468.db2.gz IJMMHMLFVFRAEP-RDJZCZTQSA-N 1 3 318.417 2.134 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000343782149 403731312 /nfs/dbraw/zinc/73/13/12/403731312.db2.gz CFHDHFYQAZMJMW-RVKKMQEKSA-N 1 3 319.493 2.240 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000343782149 403731314 /nfs/dbraw/zinc/73/13/14/403731314.db2.gz CFHDHFYQAZMJMW-RVKKMQEKSA-N 1 3 319.493 2.240 20 0 DEADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc2c(c1)CNC2 ZINC000347505560 403733974 /nfs/dbraw/zinc/73/39/74/403733974.db2.gz QVBYDSZONJSQTR-ZIAGYGMSSA-N 1 3 301.434 2.140 20 0 DEADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc2c(c1)CNC2 ZINC000347505560 403733977 /nfs/dbraw/zinc/73/39/77/403733977.db2.gz QVBYDSZONJSQTR-ZIAGYGMSSA-N 1 3 301.434 2.140 20 0 DEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000341026882 403742152 /nfs/dbraw/zinc/74/21/52/403742152.db2.gz XNENMLHVOWGLRS-DMRKSPOLSA-N 1 3 324.513 2.135 20 0 DEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000341026882 403742157 /nfs/dbraw/zinc/74/21/57/403742157.db2.gz XNENMLHVOWGLRS-DMRKSPOLSA-N 1 3 324.513 2.135 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000343813452 403743578 /nfs/dbraw/zinc/74/35/78/403743578.db2.gz CHCVYSYTMDWPGP-HOTGVXAUSA-N 1 3 312.502 2.280 20 0 DEADHO Cc1cccc(OC[C@@H](O)CN2CCC(C[NH+](C)C)CC2)c1 ZINC000341199510 403824647 /nfs/dbraw/zinc/82/46/47/403824647.db2.gz XDCQNXCONOIIKY-KRWDZBQOSA-N 1 3 306.450 2.008 20 0 DEADHO CSC1(C[NH2+]CCCN2CCN(c3ccncc3)CC2)CC1 ZINC000289077323 403825662 /nfs/dbraw/zinc/82/56/62/403825662.db2.gz CXJKAPQIGICRAK-UHFFFAOYSA-N 1 3 320.506 2.079 20 0 DEADHO C[C@@H]1CN(CCC2CC[NH+](CCc3cn[nH]c3)CC2)C[C@@H](C)O1 ZINC000347732185 403832449 /nfs/dbraw/zinc/83/24/49/403832449.db2.gz FANHQCGWTZKBIP-HZPDHXFCSA-N 1 3 320.481 2.164 20 0 DEADHO C[C@H](CNC(=O)N(C)CCC[NH+]1CCCC1)N1CCCC[C@H]1C ZINC000347640428 403787544 /nfs/dbraw/zinc/78/75/44/403787544.db2.gz XWEDNMGCTZGEPV-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H](NCc1ccncc1OCCC[NH+](C)C)[C@H]1CCCOC1 ZINC000344011547 403844764 /nfs/dbraw/zinc/84/47/64/403844764.db2.gz DSSNPDRRRJQAST-RDJZCZTQSA-N 1 3 321.465 2.317 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@@H](C)[NH2+]C2CC2)N2CCCC2)cc1 ZINC000295336948 403863437 /nfs/dbraw/zinc/86/34/37/403863437.db2.gz ZXDPCVHFKYFSHH-CRAIPNDOSA-N 1 3 315.461 2.389 20 0 DEADHO C[C@](O)(CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000333824189 403874612 /nfs/dbraw/zinc/87/46/12/403874612.db2.gz LHGSENVSWGDZMT-MLHJIOFPSA-N 1 3 310.482 2.064 20 0 DEADHO OC[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCCO1 ZINC000411657954 403928873 /nfs/dbraw/zinc/92/88/73/403928873.db2.gz JYQYPPOYLFMNMK-MOPGFXCFSA-N 1 3 318.461 2.302 20 0 DEADHO CCO[C@@H]1C[C@H](NC[C@@H](O)C[NH+]2CCCC2)C12CCCCC2 ZINC000305775451 403938067 /nfs/dbraw/zinc/93/80/67/403938067.db2.gz JXLQLBZGIREKQS-IXDOHACOSA-N 1 3 310.482 2.161 20 0 DEADHO CC[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)C1CCOCC1 ZINC000337319729 403981415 /nfs/dbraw/zinc/98/14/15/403981415.db2.gz OGUDLWYMNHCMCK-GOSISDBHSA-N 1 3 311.514 2.197 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000341472711 403987528 /nfs/dbraw/zinc/98/75/28/403987528.db2.gz WGOWZJNAKMMNQY-INMHGKMJSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000341472711 403987538 /nfs/dbraw/zinc/98/75/38/403987538.db2.gz WGOWZJNAKMMNQY-INMHGKMJSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000351902229 403994386 /nfs/dbraw/zinc/99/43/86/403994386.db2.gz ULUSSBMNTWNZBX-HNNXBMFYSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000351902229 403994392 /nfs/dbraw/zinc/99/43/92/403994392.db2.gz ULUSSBMNTWNZBX-HNNXBMFYSA-N 1 3 324.513 2.233 20 0 DEADHO CCN1CCN(CCC[NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000362932682 404010731 /nfs/dbraw/zinc/01/07/31/404010731.db2.gz YINLBIYBVIAOER-UHFFFAOYSA-N 1 3 318.440 2.424 20 0 DEADHO CCc1cccc(C)c1NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000324016583 404098868 /nfs/dbraw/zinc/09/88/68/404098868.db2.gz PCQIHEZDAQKNCA-CALCHBBNSA-N 1 3 315.461 2.427 20 0 DEADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCN(C)Cc1ccccc1 ZINC000290154191 404062419 /nfs/dbraw/zinc/06/24/19/404062419.db2.gz LLSDNVQQHDVQPY-MSOLQXFVSA-N 1 3 317.477 2.259 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]CC2(CO)CCC2)CC1 ZINC000344350249 404073516 /nfs/dbraw/zinc/07/35/16/404073516.db2.gz LGYVILZUZSATGC-UHFFFAOYSA-N 1 3 317.477 2.081 20 0 DEADHO CO[C@H]1COC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000290268689 404106678 /nfs/dbraw/zinc/10/66/78/404106678.db2.gz VXRWHVOELHAYLW-PJVZLEMVSA-N 1 3 316.445 2.185 20 0 DEADHO CCC[C@H]([NH2+]C(C)C)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000352045412 404107769 /nfs/dbraw/zinc/10/77/69/404107769.db2.gz PHHVUJPFCZAMSW-INIZCTEOSA-N 1 3 309.454 2.337 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H]1C=CCC1 ZINC000337589959 404115936 /nfs/dbraw/zinc/11/59/36/404115936.db2.gz WJGRIRAXWFZVRB-IRXDYDNUSA-N 1 3 307.482 2.217 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H]1C=CCC1 ZINC000337589959 404115937 /nfs/dbraw/zinc/11/59/37/404115937.db2.gz WJGRIRAXWFZVRB-IRXDYDNUSA-N 1 3 307.482 2.217 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000337640892 404153392 /nfs/dbraw/zinc/15/33/92/404153392.db2.gz UKUJUPIAGFAIJP-YJBOKZPZSA-N 1 3 305.466 2.444 20 0 DEADHO c1nnc(C2CC2)n1CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000567344000 292306804 /nfs/dbraw/zinc/30/68/04/292306804.db2.gz PDLTYOFGFOVYTH-ARFHVFGLSA-N 1 3 303.454 2.056 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000412178623 404173632 /nfs/dbraw/zinc/17/36/32/404173632.db2.gz NEGPLYNVMIUDCT-VIQHNZTISA-N 1 3 307.482 2.333 20 0 DEADHO C[C@H](CN(C)[C@@H](C)c1cccc(F)c1)NC(=O)CC[NH+](C)C ZINC001422884466 1172896141 /nfs/dbraw/zinc/89/61/41/1172896141.db2.gz KMGFRZNGKKLQTK-KGLIPLIRSA-N 1 3 309.429 2.275 20 0 DEADHO CN(C)CCN(C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000363937048 404259136 /nfs/dbraw/zinc/25/91/36/404259136.db2.gz JEEIJGHVPIGTAX-RDJZCZTQSA-N 1 3 322.497 2.129 20 0 DEADHO CN(C)CCN(C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000363937048 404259139 /nfs/dbraw/zinc/25/91/39/404259139.db2.gz JEEIJGHVPIGTAX-RDJZCZTQSA-N 1 3 322.497 2.129 20 0 DEADHO CC[NH+](CC)CCOCCNCc1ccc2c(c1)ncn2C ZINC000350262094 404356023 /nfs/dbraw/zinc/35/60/23/404356023.db2.gz HHJGPXQWHBYKDL-UHFFFAOYSA-N 1 3 304.438 2.021 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@@H](C)CC[NH+](C)C)c1ccco1 ZINC000352341609 404299495 /nfs/dbraw/zinc/29/94/95/404299495.db2.gz ZBAZQIYKWRHHQC-KKUMJFAQSA-N 1 3 324.469 2.348 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000352340982 404300473 /nfs/dbraw/zinc/30/04/73/404300473.db2.gz UGFHUUFAUGBIRM-SJORKVTESA-N 1 3 324.513 2.280 20 0 DEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000352340982 404300477 /nfs/dbraw/zinc/30/04/77/404300477.db2.gz UGFHUUFAUGBIRM-SJORKVTESA-N 1 3 324.513 2.280 20 0 DEADHO CC[NH+](CC)CCOCCNCc1cccc2c1OCCCO2 ZINC000350349163 404371167 /nfs/dbraw/zinc/37/11/67/404371167.db2.gz BWNRLFAVGGHAFI-UHFFFAOYSA-N 1 3 322.449 2.296 20 0 DEADHO CCN(CCNC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1)C1CC1 ZINC000338482552 404372168 /nfs/dbraw/zinc/37/21/68/404372168.db2.gz FDZJNCRWKQEPKQ-BZUAXINKSA-N 1 3 324.513 2.136 20 0 DEADHO O=C(N[C@@H]1CCN(C2CC2)C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338579300 404414368 /nfs/dbraw/zinc/41/43/68/404414368.db2.gz HZCZIJOSOWRSEJ-QGZVFWFLSA-N 1 3 313.445 2.249 20 0 DEADHO Cc1ccc([C@H](CNC(=O)C[C@@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000372486467 404501023 /nfs/dbraw/zinc/50/10/23/404501023.db2.gz WVPSZXJUGBPXPL-AEFFLSMTSA-N 1 3 317.477 2.494 20 0 DEADHO C[C@H](N[C@H]1C=C[C@H](CO)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000345057491 404522186 /nfs/dbraw/zinc/52/21/86/404522186.db2.gz TTXCHKADJYBJPC-ZOBUZTSGSA-N 1 3 304.434 2.215 20 0 DEADHO COc1ccc([C@H](CO)CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000414190579 404541782 /nfs/dbraw/zinc/54/17/82/404541782.db2.gz RVGIPFDEPWLWDP-ILXVDBEPSA-N 1 3 306.450 2.089 20 0 DEADHO COc1ccc([C@H](CO)CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000414190579 404541788 /nfs/dbraw/zinc/54/17/88/404541788.db2.gz RVGIPFDEPWLWDP-ILXVDBEPSA-N 1 3 306.450 2.089 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000291878091 404562804 /nfs/dbraw/zinc/56/28/04/404562804.db2.gz LIIDCHZQENAWJC-FVQBIDKESA-N 1 3 318.417 2.136 20 0 DEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000291878091 404562813 /nfs/dbraw/zinc/56/28/13/404562813.db2.gz LIIDCHZQENAWJC-FVQBIDKESA-N 1 3 318.417 2.136 20 0 DEADHO Cc1ccc(NC(=O)CCNC[C@@H]2CCC[N@@H+](C(C)C)C2)nc1 ZINC000567492604 292317934 /nfs/dbraw/zinc/31/79/34/292317934.db2.gz HWNNNARFLRJGIE-INIZCTEOSA-N 1 3 318.465 2.429 20 0 DEADHO Cc1ccc(NC(=O)CCNC[C@@H]2CCC[N@H+](C(C)C)C2)nc1 ZINC000567492604 292317935 /nfs/dbraw/zinc/31/79/35/292317935.db2.gz HWNNNARFLRJGIE-INIZCTEOSA-N 1 3 318.465 2.429 20 0 DEADHO Cc1ccc(NC(=O)CC[NH2+]C[C@@H]2CCCN(C(C)C)C2)nc1 ZINC000567492604 292317938 /nfs/dbraw/zinc/31/79/38/292317938.db2.gz HWNNNARFLRJGIE-INIZCTEOSA-N 1 3 318.465 2.429 20 0 DEADHO C[NH+](C)CCCC(C)(C)NCc1ccc(S(C)(=O)=O)s1 ZINC000414470111 404647224 /nfs/dbraw/zinc/64/72/24/404647224.db2.gz NSQLSOGYNMNVTI-UHFFFAOYSA-N 1 3 318.508 2.362 20 0 DEADHO CN(C)[C@@H]1CCC[N@H+](C[C@H](O)COCc2cccs2)CC1 ZINC000365406138 404650040 /nfs/dbraw/zinc/65/00/40/404650040.db2.gz VVGMOLMXPVXYAK-CABCVRRESA-N 1 3 312.479 2.042 20 0 DEADHO CN(C)[C@@H]1CCC[N@@H+](C[C@H](O)COCc2cccs2)CC1 ZINC000365406138 404650047 /nfs/dbraw/zinc/65/00/47/404650047.db2.gz VVGMOLMXPVXYAK-CABCVRRESA-N 1 3 312.479 2.042 20 0 DEADHO CN(CCNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)C1CC1 ZINC000373890579 404628964 /nfs/dbraw/zinc/62/89/64/404628964.db2.gz NAHGSSWGPFDGSV-QGZVFWFLSA-N 1 3 322.497 2.177 20 0 DEADHO CN(CCNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)C1CC1 ZINC000373890579 404628967 /nfs/dbraw/zinc/62/89/67/404628967.db2.gz NAHGSSWGPFDGSV-QGZVFWFLSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H]1[C@H](NC(=O)c2ccc(Nc3ccncc3)cc2)CCC[N@@H+]1C ZINC000345313868 404671710 /nfs/dbraw/zinc/67/17/10/404671710.db2.gz HGLOIUOBXFIZDG-RDTXWAMCSA-N 1 3 324.428 2.460 20 0 DEADHO C[C@@H]1[C@H](NC(=O)c2ccc(Nc3ccncc3)cc2)CCC[N@H+]1C ZINC000345313868 404671713 /nfs/dbraw/zinc/67/17/13/404671713.db2.gz HGLOIUOBXFIZDG-RDTXWAMCSA-N 1 3 324.428 2.460 20 0 DEADHO C[C@H]1C[C@@H](CN2CCN(Cc3cccc(F)c3)CC2)CC[NH2+]1 ZINC000414671851 404704937 /nfs/dbraw/zinc/70/49/37/404704937.db2.gz GUMWUUBHXKGFCU-RDJZCZTQSA-N 1 3 305.441 2.331 20 0 DEADHO C[C@@H]1C[C@@H](CN2CCN(Cc3cccc(F)c3)CC2)CC[NH2+]1 ZINC000414671853 404705084 /nfs/dbraw/zinc/70/50/84/404705084.db2.gz GUMWUUBHXKGFCU-WBVHZDCISA-N 1 3 305.441 2.331 20 0 DEADHO CC(C)[N@@H+](Cc1ccccc1F)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414676521 404705927 /nfs/dbraw/zinc/70/59/27/404705927.db2.gz NQANVQKVHNTYQJ-HNNXBMFYSA-N 1 3 321.440 2.233 20 0 DEADHO CC(C)[N@H+](Cc1ccccc1F)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414676521 404705930 /nfs/dbraw/zinc/70/59/30/404705930.db2.gz NQANVQKVHNTYQJ-HNNXBMFYSA-N 1 3 321.440 2.233 20 0 DEADHO COc1cc2c(c(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)c1)O[C@H](C)C2 ZINC000414768434 404728726 /nfs/dbraw/zinc/72/87/26/404728726.db2.gz LOTHLQYJQCWRIR-KFWWJZLASA-N 1 3 316.445 2.450 20 0 DEADHO COc1cc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc(OC)c1O ZINC000414788503 404736182 /nfs/dbraw/zinc/73/61/82/404736182.db2.gz WRMSZZUFRSDVIR-HUUCEWRRSA-N 1 3 320.433 2.231 20 0 DEADHO CCN(C)c1ccc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000414789253 404736458 /nfs/dbraw/zinc/73/64/58/404736458.db2.gz YFRKMSWKCFFTDW-DLBZAZTESA-N 1 3 302.466 2.359 20 0 DEADHO CCOc1cccc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414792837 404736627 /nfs/dbraw/zinc/73/66/27/404736627.db2.gz SVUCTLYCPNZSIE-INIZCTEOSA-N 1 3 304.434 2.273 20 0 DEADHO COCCOc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000414792714 404736651 /nfs/dbraw/zinc/73/66/51/404736651.db2.gz CRWXNLOYCYAQRJ-CVEARBPZSA-N 1 3 322.449 2.328 20 0 DEADHO [NH3+]C1(CNC2CCN(Cc3ccncc3)CC2)CCCCC1 ZINC000414833300 404744567 /nfs/dbraw/zinc/74/45/67/404744567.db2.gz ABJWEWDFYCHZPS-UHFFFAOYSA-N 1 3 302.466 2.297 20 0 DEADHO NC1(C[NH2+]C2CCN(Cc3ccncc3)CC2)CCCCC1 ZINC000414833300 404744572 /nfs/dbraw/zinc/74/45/72/404744572.db2.gz ABJWEWDFYCHZPS-UHFFFAOYSA-N 1 3 302.466 2.297 20 0 DEADHO COc1cc2c(c(CNCC[C@@H]3CCC[NH2+]C3)c1)O[C@@H](C)C2 ZINC000414849254 404748769 /nfs/dbraw/zinc/74/87/69/404748769.db2.gz LJCKZLVHIGVJJG-KBPBESRZSA-N 1 3 304.434 2.498 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)N[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000414850095 404748934 /nfs/dbraw/zinc/74/89/34/404748934.db2.gz HPGLWYAWBQRONU-RRFJBIMHSA-N 1 3 319.449 2.390 20 0 DEADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCC[C@H]2CCOC2)cc1 ZINC000414875937 404754955 /nfs/dbraw/zinc/75/49/55/404754955.db2.gz CPEWCWZXXWRMNM-WBAXXEDZSA-N 1 3 304.434 2.157 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000358277991 404758203 /nfs/dbraw/zinc/75/82/03/404758203.db2.gz QHRYZMRJEULIIZ-IAGOWNOFSA-N 1 3 322.497 2.131 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000358277991 404758208 /nfs/dbraw/zinc/75/82/08/404758208.db2.gz QHRYZMRJEULIIZ-IAGOWNOFSA-N 1 3 322.497 2.131 20 0 DEADHO C[C@H]1CCNC[C@H]1[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000414931124 404768799 /nfs/dbraw/zinc/76/87/99/404768799.db2.gz PNYRWOZTURIIBJ-QFBILLFUSA-N 1 3 301.478 2.281 20 0 DEADHO CC1([NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CCNCC1 ZINC000414930904 404769147 /nfs/dbraw/zinc/76/91/47/404769147.db2.gz BMPNWCNGPAMEJZ-KRWDZBQOSA-N 1 3 304.434 2.476 20 0 DEADHO C[N@H+](CCc1ccc(Cl)cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414687512 404709122 /nfs/dbraw/zinc/70/91/22/404709122.db2.gz CBJSPQWBRUCHTI-OAHLLOKOSA-N 1 3 323.868 2.012 20 0 DEADHO C[N@@H+](CCc1ccc(Cl)cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414687512 404709125 /nfs/dbraw/zinc/70/91/25/404709125.db2.gz CBJSPQWBRUCHTI-OAHLLOKOSA-N 1 3 323.868 2.012 20 0 DEADHO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414708626 404713409 /nfs/dbraw/zinc/71/34/09/404713409.db2.gz QESZTKKLMUUDNG-JFIYKMOQSA-N 1 3 315.461 2.062 20 0 DEADHO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414708626 404713413 /nfs/dbraw/zinc/71/34/13/404713413.db2.gz QESZTKKLMUUDNG-JFIYKMOQSA-N 1 3 315.461 2.062 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CC[C@H](O)C2)CC1 ZINC000353231649 404776756 /nfs/dbraw/zinc/77/67/56/404776756.db2.gz BXLMYECWZAMDKF-AEFFLSMTSA-N 1 3 317.477 2.079 20 0 DEADHO CCC[C@@H]1CNCCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000359206783 404786534 /nfs/dbraw/zinc/78/65/34/404786534.db2.gz GTRRLUCYZNLERY-GOSISDBHSA-N 1 3 315.461 2.497 20 0 DEADHO CC1CCN(C[C@H](O)C[NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000353332236 404805084 /nfs/dbraw/zinc/80/50/84/404805084.db2.gz PFTKUKAGSYSNSC-SJLPKXTDSA-N 1 3 306.425 2.495 20 0 DEADHO CC1CCN(C[C@H](O)C[NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000353332234 404805220 /nfs/dbraw/zinc/80/52/20/404805220.db2.gz PFTKUKAGSYSNSC-AEFFLSMTSA-N 1 3 306.425 2.495 20 0 DEADHO CC1CCN(CC(=O)N(C)CC[N@H+](C)C2CCCCC2)CC1 ZINC000353364601 404813867 /nfs/dbraw/zinc/81/38/67/404813867.db2.gz RFEJROIOYUURAI-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CC1CCN(CC(=O)N(C)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000353364601 404813871 /nfs/dbraw/zinc/81/38/71/404813871.db2.gz RFEJROIOYUURAI-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000360570955 404831413 /nfs/dbraw/zinc/83/14/13/404831413.db2.gz BLKSGFGEJDFRGE-XHSDSOJGSA-N 1 3 310.486 2.178 20 0 DEADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)C(N)C(F)(F)F)c1ccccc1 ZINC000353441096 404832306 /nfs/dbraw/zinc/83/23/06/404832306.db2.gz DYYHYYVPDQRDLV-ZYHUDNBSSA-N 1 3 317.355 2.122 20 0 DEADHO CC[NH+](CC)Cc1cccc(CNC(=O)C(N)C(F)(F)F)c1 ZINC000353447283 404833967 /nfs/dbraw/zinc/83/39/67/404833967.db2.gz LITWODHYMWAJQM-CYBMUJFWSA-N 1 3 317.355 2.034 20 0 DEADHO CCCC[C@H](C[NH3+])NC(=O)Nc1ccccc1CCN(C)C ZINC000415585379 404889240 /nfs/dbraw/zinc/88/92/40/404889240.db2.gz XIVWEAYBWDBZJM-OAHLLOKOSA-N 1 3 306.454 2.430 20 0 DEADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@H](CO)[C@@H]2CCOC2)CC1 ZINC000360883988 404844872 /nfs/dbraw/zinc/84/48/72/404844872.db2.gz MIRCLCFOROGEOX-MTNOOBJLSA-N 1 3 324.509 2.264 20 0 DEADHO CN1CC[C@H]([NH2+]Cc2ccccc2OCCO)[C@@H]2CCC[C@H]21 ZINC000353513877 404853706 /nfs/dbraw/zinc/85/37/06/404853706.db2.gz FRZMBRWVISTHDA-YESZJQIVSA-N 1 3 304.434 2.020 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](C)N(C)C2CC2)[C@H](C)C1 ZINC000361182687 404962958 /nfs/dbraw/zinc/96/29/58/404962958.db2.gz GNKLIKKSFKNRAA-RYRKJORJSA-N 1 3 311.514 2.196 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000416783370 404908917 /nfs/dbraw/zinc/90/89/17/404908917.db2.gz HABVOXFQVDAYTG-NVXWUHKLSA-N 1 3 318.465 2.250 20 0 DEADHO CC1(NC(=O)C2CCN(Cc3ccccc3)CC2)CC[NH2+]CC1 ZINC000434684373 404924035 /nfs/dbraw/zinc/92/40/35/404924035.db2.gz KUZAKUPOLAHJBA-UHFFFAOYSA-N 1 3 315.461 2.157 20 0 DEADHO [NH3+]C1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000416841633 404930382 /nfs/dbraw/zinc/93/03/82/404930382.db2.gz MCMLLXFKCXJGDC-CQSZACIVSA-N 1 3 322.478 2.018 20 0 DEADHO CCc1ccc([C@H](CNC(=O)N[C@H](C)CCC[NH3+])N(C)C)cc1 ZINC000416846120 404932610 /nfs/dbraw/zinc/93/26/10/404932610.db2.gz SYVWOJYAEOYHED-PBHICJAKSA-N 1 3 320.481 2.278 20 0 DEADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc2c(c1)CNC2 ZINC000416002840 405002153 /nfs/dbraw/zinc/00/21/53/405002153.db2.gz DLJXCUOZMQGFBY-GUYCJALGSA-N 1 3 314.433 2.380 20 0 DEADHO C[C@H](CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)N1CCC[C@@H](C)C1 ZINC000417018634 405004243 /nfs/dbraw/zinc/00/42/43/405004243.db2.gz PZJRAMCXEAOIIP-QBPKDAKJSA-N 1 3 324.513 2.171 20 0 DEADHO C[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1cccc(OCCN(C)C)c1 ZINC000361351220 405034612 /nfs/dbraw/zinc/03/46/12/405034612.db2.gz KNKXBMMWJNAIGC-KBXCAEBGSA-N 1 3 306.450 2.439 20 0 DEADHO COC1CCN(C(C)(C)C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)CC1 ZINC000361209253 404974790 /nfs/dbraw/zinc/97/47/90/404974790.db2.gz RQIRJTGMBWISBU-ZMSDIMECSA-N 1 3 311.514 2.194 20 0 DEADHO CN(CCC(=O)NCc1ccccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435621641 404997364 /nfs/dbraw/zinc/99/73/64/404997364.db2.gz NMYKJBCRNVAFKN-HNNXBMFYSA-N 1 3 323.868 2.420 20 0 DEADHO C[NH+](C)CCOCCNCc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000354203073 405094761 /nfs/dbraw/zinc/09/47/61/405094761.db2.gz GIFDGXASMOSFMY-UHFFFAOYSA-N 1 3 322.840 2.398 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C1(C[NH3+])CCCC1 ZINC000389943560 405041955 /nfs/dbraw/zinc/04/19/55/405041955.db2.gz PRDFQGIXUVFKJV-DOTOQJQBSA-N 1 3 315.461 2.142 20 0 DEADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])N(C)C)cc1 ZINC000424454534 405100707 /nfs/dbraw/zinc/10/07/07/405100707.db2.gz OUZVKYCDSHWAKM-ZACQAIPSSA-N 1 3 318.465 2.167 20 0 DEADHO C[C@@H]1CC2(CN1CC(=O)N(C)C1CCCCC1)CC[NH2+]CC2 ZINC000424289101 405059271 /nfs/dbraw/zinc/05/92/71/405059271.db2.gz LNFRWZDPYUULCC-OAHLLOKOSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1ccsc1CNC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424299873 405062844 /nfs/dbraw/zinc/06/28/44/405062844.db2.gz WCEOVXDTQJMCJV-AWEZNQCLSA-N 1 3 321.490 2.137 20 0 DEADHO C[C@H]1C[C@@H](NCCNC(=O)CCCc2ccccc2)CC[N@@H+]1C ZINC000424323985 405069092 /nfs/dbraw/zinc/06/90/92/405069092.db2.gz LCGUFYUAPRINCR-WMZOPIPTSA-N 1 3 317.477 2.198 20 0 DEADHO C[C@H]1C[C@@H](NCCNC(=O)CCCc2ccccc2)CC[N@H+]1C ZINC000424323985 405069095 /nfs/dbraw/zinc/06/90/95/405069095.db2.gz LCGUFYUAPRINCR-WMZOPIPTSA-N 1 3 317.477 2.198 20 0 DEADHO C[C@H](CNC(=O)N[C@@H](C[NH3+])C1CCCCC1)N1CCC(C)CC1 ZINC000417304825 405085532 /nfs/dbraw/zinc/08/55/32/405085532.db2.gz FRIPABSRITVCFH-WBVHZDCISA-N 1 3 324.513 2.314 20 0 DEADHO Cc1cc(CN)cc(NC(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000424431113 405092614 /nfs/dbraw/zinc/09/26/14/405092614.db2.gz DXBALQPGYLLTMT-UHFFFAOYSA-N 1 3 304.438 2.307 20 0 DEADHO C[C@@H](CCNC(=O)NC[C@H](N)c1ccccc1)[NH+]1CCCCC1 ZINC000418022471 405109710 /nfs/dbraw/zinc/10/97/10/405109710.db2.gz RDNNZUXUOWBGPP-RDJZCZTQSA-N 1 3 318.465 2.250 20 0 DEADHO C[C@H](CCCC[NH3+])NC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000418717681 405178780 /nfs/dbraw/zinc/17/87/80/405178780.db2.gz ZPUUZVFFZHCKRZ-CVEARBPZSA-N 1 3 310.486 2.164 20 0 DEADHO CC[NH+](CC)[C@H]1CCN(C(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC000437216216 405190549 /nfs/dbraw/zinc/19/05/49/405190549.db2.gz TVFBCZXDXJUXOG-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H](CCCC[NH3+])NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000418692658 405169788 /nfs/dbraw/zinc/16/97/88/405169788.db2.gz IRAIQYMMTKMTCA-HUUCEWRRSA-N 1 3 310.486 2.020 20 0 DEADHO CCC[C@H](O)[C@H](CO)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000419806361 405266441 /nfs/dbraw/zinc/26/64/41/405266441.db2.gz FGXLVTNIPVPDLZ-WNHJNPCNSA-N 1 3 320.477 2.151 20 0 DEADHO CCC[C@H](O)[C@H](CO)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000419806361 405266445 /nfs/dbraw/zinc/26/64/45/405266445.db2.gz FGXLVTNIPVPDLZ-WNHJNPCNSA-N 1 3 320.477 2.151 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cncn1C(C)C ZINC000425375632 405282841 /nfs/dbraw/zinc/28/28/41/405282841.db2.gz CZFQABODRCCXRT-QGZVFWFLSA-N 1 3 321.513 2.312 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cncn1C(C)C ZINC000425375632 405282842 /nfs/dbraw/zinc/28/28/42/405282842.db2.gz CZFQABODRCCXRT-QGZVFWFLSA-N 1 3 321.513 2.312 20 0 DEADHO Cc1cc([C@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cs1 ZINC000453104491 405283985 /nfs/dbraw/zinc/28/39/85/405283985.db2.gz UHQKBDQSPAIQGI-KBPBESRZSA-N 1 3 309.479 2.295 20 0 DEADHO CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)C1(C)C ZINC000368155224 405230372 /nfs/dbraw/zinc/23/03/72/405230372.db2.gz YKFUUSWKNQWKAX-RYQLBKOJSA-N 1 3 323.525 2.337 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CCCN1C1CCCC1)C[NH+]1CCCC1 ZINC000438538522 405250292 /nfs/dbraw/zinc/25/02/92/405250292.db2.gz CERYNKUVLAVGHQ-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO CCN1CCC[C@@H](NC(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)C1 ZINC000438864769 405256841 /nfs/dbraw/zinc/25/68/41/405256841.db2.gz ZKKIVGQPLWZISB-IAGOWNOFSA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCC[C@@H](NC(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)C1 ZINC000438864769 405256844 /nfs/dbraw/zinc/25/68/44/405256844.db2.gz ZKKIVGQPLWZISB-IAGOWNOFSA-N 1 3 324.513 2.280 20 0 DEADHO CCc1ccccc1CN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000420307519 405313153 /nfs/dbraw/zinc/31/31/53/405313153.db2.gz ITRSMJAOFROXAC-KRWDZBQOSA-N 1 3 303.450 2.069 20 0 DEADHO CCOc1ccc(CN2CCN(CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000420307119 405313159 /nfs/dbraw/zinc/31/31/59/405313159.db2.gz RCSVLOXFFPCASG-KRWDZBQOSA-N 1 3 317.477 2.203 20 0 DEADHO O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NCC1CCCCC1 ZINC000420341414 405325840 /nfs/dbraw/zinc/32/58/40/405325840.db2.gz OFOGOVVNGFRJCR-IAGOWNOFSA-N 1 3 307.482 2.004 20 0 DEADHO O=C(CN1CCC([C@H]2CCC[NH2+]2)CC1)N(C1CC1)C1CCCC1 ZINC000420342192 405326397 /nfs/dbraw/zinc/32/63/97/405326397.db2.gz XBJWWUFTUNZKCH-GOSISDBHSA-N 1 3 319.493 2.384 20 0 DEADHO C[C@H](C(=O)Nc1ccccc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420346763 405327925 /nfs/dbraw/zinc/32/79/25/405327925.db2.gz YZSAYYLVXLQMNI-BZUAXINKSA-N 1 3 301.434 2.335 20 0 DEADHO CC[C@@H](c1ccc(Br)cc1)[N@H+](C)C[C@@H](O)CN ZINC000420352762 405329323 /nfs/dbraw/zinc/32/93/23/405329323.db2.gz MRYDGGKMMTUKNZ-STQMWFEESA-N 1 3 301.228 2.152 20 0 DEADHO CC[C@@H](c1ccc(Br)cc1)[N@@H+](C)C[C@@H](O)CN ZINC000420352762 405329326 /nfs/dbraw/zinc/32/93/26/405329326.db2.gz MRYDGGKMMTUKNZ-STQMWFEESA-N 1 3 301.228 2.152 20 0 DEADHO CC(=O)N1CC[C@@H]([NH2+]C[C@H](C)CN(C)C)c2ccccc2C1 ZINC000425943351 405332238 /nfs/dbraw/zinc/33/22/38/405332238.db2.gz IMNDOCBZBDHFER-KBXCAEBGSA-N 1 3 303.450 2.267 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000454486195 405352753 /nfs/dbraw/zinc/35/27/53/405352753.db2.gz NZOBSQOFCDMGPI-QGZVFWFLSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@H](C(=O)NCC1CC[NH+](C2CC2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000446445353 405382750 /nfs/dbraw/zinc/38/27/50/405382750.db2.gz TYELNJAQSICIOM-QLFBSQMISA-N 1 3 307.482 2.238 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000446435318 405382801 /nfs/dbraw/zinc/38/28/01/405382801.db2.gz XFPMZLOJFLKUKE-UHFFFAOYSA-N 1 3 315.461 2.352 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000420789786 405384969 /nfs/dbraw/zinc/38/49/69/405384969.db2.gz YGAMJWJETFAIPO-IXDOHACOSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000420789786 405384972 /nfs/dbraw/zinc/38/49/72/405384972.db2.gz YGAMJWJETFAIPO-IXDOHACOSA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1CCCN1C ZINC000420824986 405391410 /nfs/dbraw/zinc/39/14/10/405391410.db2.gz YICOSULNWFQYCT-SJORKVTESA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1CCCN1C ZINC000420824986 405391412 /nfs/dbraw/zinc/39/14/12/405391412.db2.gz YICOSULNWFQYCT-SJORKVTESA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)N1CCCC[C@@H]1C ZINC000446136520 405373633 /nfs/dbraw/zinc/37/36/33/405373633.db2.gz FXBRGNQOFHTEGL-HOTGVXAUSA-N 1 3 324.513 2.375 20 0 DEADHO C[C@@H]1C[C@H](NC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)CC[N@@H+]1C ZINC000429436821 405430419 /nfs/dbraw/zinc/43/04/19/405430419.db2.gz YDWYLWFIXKXUIX-NKGKWGDASA-N 1 3 306.425 2.364 20 0 DEADHO C[C@@H]1C[C@H](NC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)CC[N@H+]1C ZINC000429436821 405430420 /nfs/dbraw/zinc/43/04/20/405430420.db2.gz YDWYLWFIXKXUIX-NKGKWGDASA-N 1 3 306.425 2.364 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)C(C)(C)C3CCC3)CC2)CC1 ZINC000448839262 405454479 /nfs/dbraw/zinc/45/44/79/405454479.db2.gz ZYMWENYCQXDVHL-UHFFFAOYSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CC[C@H](N(C)C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000457905417 405476890 /nfs/dbraw/zinc/47/68/90/405476890.db2.gz UELSNPQILVNHLJ-INIZCTEOSA-N 1 3 324.513 2.373 20 0 DEADHO CC[C@H](C)[C@@H](C[NH2+]C1CCN(C2CCN(C)CC2)CC1)OC ZINC000638459234 405481698 /nfs/dbraw/zinc/48/16/98/405481698.db2.gz JHKCVKXLYPIZGI-MAUKXSAKSA-N 1 3 311.514 2.196 20 0 DEADHO O=C1C[C@@H]([NH2+]CC2CCN(Cc3cccs3)CC2)CCCN1 ZINC000638457648 405482085 /nfs/dbraw/zinc/48/20/85/405482085.db2.gz WCVQOUYMVSVMMH-HNNXBMFYSA-N 1 3 321.490 2.218 20 0 DEADHO C[N@H+](C[C@@H](O)CN[C@H]1C[C@H](c2cc(F)cc(F)c2)C1)C1CC1 ZINC000577842332 405523948 /nfs/dbraw/zinc/52/39/48/405523948.db2.gz RJLJADLREOFKQJ-NUTKFTJISA-N 1 3 310.388 2.256 20 0 DEADHO C[N@@H+](C[C@@H](O)CN[C@H]1C[C@H](c2cc(F)cc(F)c2)C1)C1CC1 ZINC000577842332 405523952 /nfs/dbraw/zinc/52/39/52/405523952.db2.gz RJLJADLREOFKQJ-NUTKFTJISA-N 1 3 310.388 2.256 20 0 DEADHO Cc1ccccc1CNC(=O)[C@@H](C)N1CCC([C@@H](C)[NH3+])CC1 ZINC000430921164 405527399 /nfs/dbraw/zinc/52/73/99/405527399.db2.gz XHILATKIRFIHFY-HUUCEWRRSA-N 1 3 303.450 2.059 20 0 DEADHO NCc1cccc2c1N(C(=O)CC[C@@H]1CCC[NH2+]C1)CCC2 ZINC000638543353 405539681 /nfs/dbraw/zinc/53/96/81/405539681.db2.gz XGAXQTWHPREJDT-AWEZNQCLSA-N 1 3 301.434 2.204 20 0 DEADHO CN1CCC(O)(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC1 ZINC000638681265 405614469 /nfs/dbraw/zinc/61/44/69/405614469.db2.gz KWGPMOOBGSNRMS-LSDHHAIUSA-N 1 3 310.482 2.159 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(CO)cc2)C[C@@H](C)O1 ZINC000638682232 405615959 /nfs/dbraw/zinc/61/59/59/405615959.db2.gz UIQWOKVVQPLGFG-HZPDHXFCSA-N 1 3 306.450 2.158 20 0 DEADHO C[C@H](CC[NH2+]C[C@H](O)COCc1ccccc1)N1CCCCC1 ZINC000568622137 292354796 /nfs/dbraw/zinc/35/47/96/292354796.db2.gz YFYVWJAHWIICBL-MJGOQNOKSA-N 1 3 320.477 2.418 20 0 DEADHO NC1(C(=O)NC2CC[NH+](CC3CCCC3)CC2)CCCCC1 ZINC000431051132 405568462 /nfs/dbraw/zinc/56/84/62/405568462.db2.gz XRRWCGJBXMMFOH-UHFFFAOYSA-N 1 3 307.482 2.419 20 0 DEADHO COC1([C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)CCCCC1 ZINC000421818552 405652028 /nfs/dbraw/zinc/65/20/28/405652028.db2.gz BKVOFUUDJSNZOX-INIZCTEOSA-N 1 3 311.514 2.340 20 0 DEADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCN3CCC(O)CC3)CC2)C1 ZINC000449646922 405658660 /nfs/dbraw/zinc/65/86/60/405658660.db2.gz OUTFGQYVUCKKOB-AEFFLSMTSA-N 1 3 323.525 2.076 20 0 DEADHO CC(C)CN1CCO[C@H](CN[C@H](C)C[C@@H]2CCCCC[NH2+]2)C1 ZINC000422756421 405679597 /nfs/dbraw/zinc/67/95/97/405679597.db2.gz CKTSWVKHQBLUFF-FGTMMUONSA-N 1 3 311.514 2.244 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H]2CCCN2C2CC2)C1 ZINC000494263909 405669966 /nfs/dbraw/zinc/66/99/66/405669966.db2.gz BRCKOCIDHTXLAI-JFIYKMOQSA-N 1 3 321.509 2.488 20 0 DEADHO CC/C=C\CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000458976514 405673429 /nfs/dbraw/zinc/67/34/29/405673429.db2.gz OSPBHECARZJAGM-PTZVLDCSSA-N 1 3 310.486 2.010 20 0 DEADHO CC/C=C\CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000458976514 405673435 /nfs/dbraw/zinc/67/34/35/405673435.db2.gz OSPBHECARZJAGM-PTZVLDCSSA-N 1 3 310.486 2.010 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000423070037 405698689 /nfs/dbraw/zinc/69/86/89/405698689.db2.gz CCKDBBICPDYSSR-XFKAJCMBSA-N 1 3 306.425 2.269 20 0 DEADHO CCC[C@](C)(N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000638836159 405704029 /nfs/dbraw/zinc/70/40/29/405704029.db2.gz QUKLKTYNWDGJLJ-IEZWGBDMSA-N 1 3 317.477 2.388 20 0 DEADHO CCC[C@](C)(N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000638836159 405704041 /nfs/dbraw/zinc/70/40/41/405704041.db2.gz QUKLKTYNWDGJLJ-IEZWGBDMSA-N 1 3 317.477 2.388 20 0 DEADHO C[C@@H](CNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)N(C)C ZINC000459033511 405705733 /nfs/dbraw/zinc/70/57/33/405705733.db2.gz BRIZAENGYDCNHM-ULQDDVLXSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](CNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)N(C)C ZINC000459033511 405705739 /nfs/dbraw/zinc/70/57/39/405705739.db2.gz BRIZAENGYDCNHM-ULQDDVLXSA-N 1 3 324.513 2.233 20 0 DEADHO CC(=O)NCCc1ccc([C@H](C)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000423209351 405722515 /nfs/dbraw/zinc/72/25/15/405722515.db2.gz DZXMQJIURQOGIG-QMTMVMCOSA-N 1 3 317.477 2.404 20 0 DEADHO Cc1nc(C(C)(C)C)sc1[C@@H](C)NCCN1CC[NH2+]CC1 ZINC000423212108 405725854 /nfs/dbraw/zinc/72/58/54/405725854.db2.gz ZSBALDYPZBDEHG-GFCCVEGCSA-N 1 3 310.511 2.305 20 0 DEADHO C[C@H](NC[C@H]1CCC[NH2+]C1)c1cccc(OCCN(C)C)c1 ZINC000423219135 405726749 /nfs/dbraw/zinc/72/67/49/405726749.db2.gz WFHIWQBLELFKRX-HOTGVXAUSA-N 1 3 305.466 2.277 20 0 DEADHO COC(=O)COc1ccccc1[C@H](C)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000423268448 405741697 /nfs/dbraw/zinc/74/16/97/405741697.db2.gz DVDJVJXDOYSJMM-LZWOXQAQSA-N 1 3 320.433 2.407 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@H]2C[C@H](C)CC[NH2+]2)N(C)C)cc1 ZINC000423299902 405752643 /nfs/dbraw/zinc/75/26/43/405752643.db2.gz CPVNXNOHMNDMEQ-OLMNPRSZSA-N 1 3 317.477 2.356 20 0 DEADHO COCC1(CN[C@H](C)c2cc(OC)ccc2OC)CC[NH2+]CC1 ZINC000423379095 405783212 /nfs/dbraw/zinc/78/32/12/405783212.db2.gz CTQPIGVCGNKKEV-CQSZACIVSA-N 1 3 322.449 2.371 20 0 DEADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H](N)C1CCC1)c1ccccc1 ZINC000423394424 405788714 /nfs/dbraw/zinc/78/87/14/405788714.db2.gz ZQFZEQDATZWOFT-CJNGLKHVSA-N 1 3 303.450 2.359 20 0 DEADHO C[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1 ZINC000423395463 405788797 /nfs/dbraw/zinc/78/87/97/405788797.db2.gz SOYXODZZAPRLCG-TZMCWYRMSA-N 1 3 301.356 2.173 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](N)CC2CCCCC2)C1 ZINC000423412091 405795610 /nfs/dbraw/zinc/79/56/10/405795610.db2.gz WCLFCDONSYIXIQ-IRXDYDNUSA-N 1 3 309.498 2.378 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H](N)CC2CCCCC2)C1 ZINC000423412091 405795616 /nfs/dbraw/zinc/79/56/16/405795616.db2.gz WCLFCDONSYIXIQ-IRXDYDNUSA-N 1 3 309.498 2.378 20 0 DEADHO [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H](c2nnc[n-]2)c2ccc(F)cc2)CC1 ZINC000423419533 405799143 /nfs/dbraw/zinc/79/91/43/405799143.db2.gz IZDMCXXMVSBDLJ-XJKCOSOUSA-N 1 3 317.412 2.388 20 0 DEADHO Cn1cncc1CC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000530460185 405807563 /nfs/dbraw/zinc/80/75/63/405807563.db2.gz RZNJERZXDWVYKW-MISYRCLQSA-N 1 3 324.472 2.463 20 0 DEADHO Cn1cncc1CCN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000530460185 405807568 /nfs/dbraw/zinc/80/75/68/405807568.db2.gz RZNJERZXDWVYKW-MISYRCLQSA-N 1 3 324.472 2.463 20 0 DEADHO Cn1cncc1CCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000530460185 405807574 /nfs/dbraw/zinc/80/75/74/405807574.db2.gz RZNJERZXDWVYKW-MISYRCLQSA-N 1 3 324.472 2.463 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H](C(C)C)[C@H](C)[NH3+])C2)cc1 ZINC000639001977 405813091 /nfs/dbraw/zinc/81/30/91/405813091.db2.gz SUDXONTZWKKUAE-RYQLBKOJSA-N 1 3 317.477 2.305 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)CC[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000639003723 405814418 /nfs/dbraw/zinc/81/44/18/405814418.db2.gz CBPAAFOKVAZNPU-ROUUACIJSA-N 1 3 315.461 2.218 20 0 DEADHO C[C@H](N[C@H]1CNCCC1(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423477641 405819951 /nfs/dbraw/zinc/81/99/51/405819951.db2.gz KGBXJAKTHJXGML-UAGQMJEPSA-N 1 3 323.431 2.484 20 0 DEADHO C[C@H](N[C@H]1CNCCC1(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423477641 405819954 /nfs/dbraw/zinc/81/99/54/405819954.db2.gz KGBXJAKTHJXGML-UAGQMJEPSA-N 1 3 323.431 2.484 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)N(C)C)cc1 ZINC000423348443 405771708 /nfs/dbraw/zinc/77/17/08/405771708.db2.gz UBFFLMZQUCNFGQ-IRXDYDNUSA-N 1 3 317.477 2.492 20 0 DEADHO Cc1ccccc1CN1CCC(NC(=O)[C@H](C[NH3+])C(C)C)CC1 ZINC000433134811 405877181 /nfs/dbraw/zinc/87/71/81/405877181.db2.gz MDFBSKRWYBAJRT-GOSISDBHSA-N 1 3 317.477 2.307 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnc(C3CC3)nc2)C[C@@H](C)O1 ZINC000459381684 405879734 /nfs/dbraw/zinc/87/97/34/405879734.db2.gz DJBWNWXCNBRDDL-HUUCEWRRSA-N 1 3 318.465 2.333 20 0 DEADHO CN1CC=C(C[NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000495367337 405883546 /nfs/dbraw/zinc/88/35/46/405883546.db2.gz OWQKSQZCUOMFMJ-GJZGRUSLSA-N 1 3 309.454 2.284 20 0 DEADHO CCN(Cc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)cc1)C1CC1 ZINC000423636925 405887175 /nfs/dbraw/zinc/88/71/75/405887175.db2.gz BRRADQYITIHPBS-SUMWQHHRSA-N 1 3 301.434 2.233 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000639067681 405858242 /nfs/dbraw/zinc/85/82/42/405858242.db2.gz KVMGDZNETYOTHX-ZNMIVQPWSA-N 1 3 301.434 2.338 20 0 DEADHO CCn1cc([C@H]2OCCC[C@@H]2N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000639079795 405868697 /nfs/dbraw/zinc/86/86/97/405868697.db2.gz NENCBXIGULSNKR-PQEBFOHHSA-N 1 3 306.454 2.195 20 0 DEADHO CCn1cc([C@H]2OCCC[C@@H]2N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000639079795 405868701 /nfs/dbraw/zinc/86/87/01/405868701.db2.gz NENCBXIGULSNKR-PQEBFOHHSA-N 1 3 306.454 2.195 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000423728346 405931291 /nfs/dbraw/zinc/93/12/91/405931291.db2.gz LSCDLUOPLBEJQT-IRXDYDNUSA-N 1 3 303.450 2.272 20 0 DEADHO CCN(CCNC1CC[NH+](C2CC2)CC1)CCC(F)(F)F ZINC000459503570 405933368 /nfs/dbraw/zinc/93/33/68/405933368.db2.gz HSIXHROMILUFFI-UHFFFAOYSA-N 1 3 307.404 2.477 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000423739352 405937861 /nfs/dbraw/zinc/93/78/61/405937861.db2.gz HIPPUNAJXMSTNB-IEBWSBKVSA-N 1 3 315.461 2.096 20 0 DEADHO CN(C)CCN(CCCc1ccccc1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000423740583 405940429 /nfs/dbraw/zinc/94/04/29/405940429.db2.gz GTGNDPQNGOJKEA-MSOLQXFVSA-N 1 3 317.477 2.137 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000433551743 405958201 /nfs/dbraw/zinc/95/82/01/405958201.db2.gz WRJXEKYWACBYEN-KRWDZBQOSA-N 1 3 322.497 2.175 20 0 DEADHO CN(C)C[C@H](NC(=O)C[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423777431 405960807 /nfs/dbraw/zinc/96/08/07/405960807.db2.gz RHUSFICZLOYCEU-DOMZBBRYSA-N 1 3 309.841 2.059 20 0 DEADHO C[C@H](CNC(=O)CCCC[NH+](C)C)N(C)Cc1ccccc1 ZINC000562117778 405962262 /nfs/dbraw/zinc/96/22/62/405962262.db2.gz FPDZAYHFYXPWEN-MRXNPFEDSA-N 1 3 305.466 2.355 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000423780075 405963793 /nfs/dbraw/zinc/96/37/93/405963793.db2.gz WEGAQGULOZXYCP-APHBMKBZSA-N 1 3 323.868 2.447 20 0 DEADHO CCn1cc([C@H]2OCCC[C@@H]2NC2CC[NH+](C3CC3)CC2)cn1 ZINC000459483016 405922136 /nfs/dbraw/zinc/92/21/36/405922136.db2.gz FHQVGSUVIZBEJX-ZWKOTPCHSA-N 1 3 318.465 2.340 20 0 DEADHO C[C@@H](C(=O)NC1CC([NH+]2CCCCC2)C1)[C@H](N)c1ccccc1 ZINC000423808871 405985324 /nfs/dbraw/zinc/98/53/24/405985324.db2.gz ZXYHFCGUBRNCFA-LTDKPHRXSA-N 1 3 315.461 2.456 20 0 DEADHO COc1ccc(NC(=O)C[C@@H](C)NCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000532530337 406082884 /nfs/dbraw/zinc/08/28/84/406082884.db2.gz ZTFANNKDBSZUBE-HUUCEWRRSA-N 1 3 319.449 2.344 20 0 DEADHO COc1ccc(NC(=O)C[C@@H](C)NCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000532530337 406082888 /nfs/dbraw/zinc/08/28/88/406082888.db2.gz ZTFANNKDBSZUBE-HUUCEWRRSA-N 1 3 319.449 2.344 20 0 DEADHO CC[C@H](C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C)N(C)C ZINC000532216701 406055888 /nfs/dbraw/zinc/05/58/88/406055888.db2.gz VIYHXYSBZJSDCL-HUUCEWRRSA-N 1 3 311.857 2.399 20 0 DEADHO CC[C@H](C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C)[NH+](C)C ZINC000532216701 406055892 /nfs/dbraw/zinc/05/58/92/406055892.db2.gz VIYHXYSBZJSDCL-HUUCEWRRSA-N 1 3 311.857 2.399 20 0 DEADHO C[C@H](CC(=O)Nc1ccc(F)cc1)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000517198151 406123986 /nfs/dbraw/zinc/12/39/86/406123986.db2.gz QBWFVSBHPCBANI-ZIAGYGMSSA-N 1 3 307.413 2.474 20 0 DEADHO C[C@H](CC(=O)Nc1ccc(F)cc1)NCC[N@H+]1CC[C@@H](C)C1 ZINC000517198151 406123990 /nfs/dbraw/zinc/12/39/90/406123990.db2.gz QBWFVSBHPCBANI-ZIAGYGMSSA-N 1 3 307.413 2.474 20 0 DEADHO Cc1noc(C)c1CCN1CCCN(c2cc[nH+]cc2)CC1 ZINC000639705203 406213743 /nfs/dbraw/zinc/21/37/43/406213743.db2.gz UOLIWSYWDMUGAM-UHFFFAOYSA-N 1 3 300.406 2.441 20 0 DEADHO C[NH+](C)CCOc1cc(CNC/C=C\c2ccncc2)ccn1 ZINC000487554657 406244724 /nfs/dbraw/zinc/24/47/24/406244724.db2.gz DZRUKJUHXPQCDD-ARJAWSKDSA-N 1 3 312.417 2.220 20 0 DEADHO CC[C@@H]1CN(C(=O)N[C@@H](CC(C)C)CN2CCCC2)CC[C@H]1[NH3+] ZINC000632914290 406317819 /nfs/dbraw/zinc/31/78/19/406317819.db2.gz GMHRYGJZQPAZKC-IXDOHACOSA-N 1 3 324.513 2.266 20 0 DEADHO CC[N@H+](CCNC(=O)N1CCN(C2CCC2)C[C@@H](C)C1)C(C)C ZINC000488687464 406337338 /nfs/dbraw/zinc/33/73/38/406337338.db2.gz QHTHOYVYFBDSMJ-MRXNPFEDSA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@@H+](CCNC(=O)N1CCN(C2CCC2)C[C@@H](C)C1)C(C)C ZINC000488687464 406337342 /nfs/dbraw/zinc/33/73/42/406337342.db2.gz QHTHOYVYFBDSMJ-MRXNPFEDSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H]1C[C@H]1CN1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000488290021 406307834 /nfs/dbraw/zinc/30/78/34/406307834.db2.gz GVTDFPHSABTSDU-IRXDYDNUSA-N 1 3 317.477 2.405 20 0 DEADHO c1cc(OCCN2CCCC2)ccc1CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635002803 406395864 /nfs/dbraw/zinc/39/58/64/406395864.db2.gz YSCWLRMFGDVBMN-HDICACEKSA-N 1 3 315.461 2.097 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccnc(N2CCSCC2)c1 ZINC000635007114 406397571 /nfs/dbraw/zinc/39/75/71/406397571.db2.gz FARUZFFCIWXHMG-HOTGVXAUSA-N 1 3 320.506 2.242 20 0 DEADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccnc(N2CCSCC2)c1 ZINC000635009931 406399009 /nfs/dbraw/zinc/39/90/09/406399009.db2.gz PFDMDGNOYUULDJ-CVEARBPZSA-N 1 3 320.506 2.384 20 0 DEADHO Cc1ncc([C@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)s1 ZINC000635010268 406399022 /nfs/dbraw/zinc/39/90/22/406399022.db2.gz RKEBHQAQODOKNJ-NSHDSACASA-N 1 3 303.435 2.429 20 0 DEADHO CCOC(=O)COc1ccc(CC[NH2+][C@H]2CCC[C@@H](N)C2)cc1 ZINC000569116019 292391635 /nfs/dbraw/zinc/39/16/35/292391635.db2.gz CSNMIKZNEYMGQR-CVEARBPZSA-N 1 3 320.433 2.031 20 0 DEADHO CCOC(=O)COc1ccc(CCN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000569116019 292391638 /nfs/dbraw/zinc/39/16/38/292391638.db2.gz CSNMIKZNEYMGQR-CVEARBPZSA-N 1 3 320.433 2.031 20 0 DEADHO COc1ccsc1[C@@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000547433376 406409546 /nfs/dbraw/zinc/40/95/46/406409546.db2.gz YCAMXUMUFWYOSB-CQSZACIVSA-N 1 3 311.495 2.435 20 0 DEADHO C[C@@H](NCCOCC[NH+](C)C)c1cccc(N2CCCC2=O)c1 ZINC000521968653 406378854 /nfs/dbraw/zinc/37/88/54/406378854.db2.gz JWWJNSDFUPOIAW-OAHLLOKOSA-N 1 3 319.449 2.042 20 0 DEADHO C[C@H](NCCOCC[NH+](C)C)c1cccc(N2CCCC2=O)c1 ZINC000521968652 406378956 /nfs/dbraw/zinc/37/89/56/406378956.db2.gz JWWJNSDFUPOIAW-HNNXBMFYSA-N 1 3 319.449 2.042 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC2([NH3+])CCC2)C1 ZINC000571147961 406483298 /nfs/dbraw/zinc/48/32/98/406483298.db2.gz DXPGGGJUTBDVSQ-GOEBONIOSA-N 1 3 316.449 2.003 20 0 DEADHO C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)N1CCCC[C@H]1C ZINC000635288963 406486744 /nfs/dbraw/zinc/48/67/44/406486744.db2.gz OQDXFDHTJQLSMQ-HZPDHXFCSA-N 1 3 307.482 2.242 20 0 DEADHO C[NH+](C)CC1(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000635138245 406437826 /nfs/dbraw/zinc/43/78/26/406437826.db2.gz HMUFIEBYNGEVEQ-KRWDZBQOSA-N 1 3 315.461 2.282 20 0 DEADHO C[NH+](C)CC1(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000635215368 406461776 /nfs/dbraw/zinc/46/17/76/406461776.db2.gz ADYZCNHDLGRMCE-KRWDZBQOSA-N 1 3 315.461 2.282 20 0 DEADHO C[N@@H+]1CC[C@H](CC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000635439360 406537747 /nfs/dbraw/zinc/53/77/47/406537747.db2.gz JLGNECCIEBWNTQ-QGZVFWFLSA-N 1 3 307.482 2.053 20 0 DEADHO C[N@H+]1CC[C@H](CC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000635439360 406537749 /nfs/dbraw/zinc/53/77/49/406537749.db2.gz JLGNECCIEBWNTQ-QGZVFWFLSA-N 1 3 307.482 2.053 20 0 DEADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000635439359 406537992 /nfs/dbraw/zinc/53/79/92/406537992.db2.gz JLGNECCIEBWNTQ-KRWDZBQOSA-N 1 3 307.482 2.053 20 0 DEADHO C[N@H+]1CC[C@@H](CC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000635439359 406537996 /nfs/dbraw/zinc/53/79/96/406537996.db2.gz JLGNECCIEBWNTQ-KRWDZBQOSA-N 1 3 307.482 2.053 20 0 DEADHO Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000571671051 406551589 /nfs/dbraw/zinc/55/15/89/406551589.db2.gz PQGGOIVTLWPXRD-BRWVUGGUSA-N 1 3 306.450 2.197 20 0 DEADHO CO[C@]1(CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CCOC1 ZINC000638067726 406552428 /nfs/dbraw/zinc/55/24/28/406552428.db2.gz UIZMKETYOZTPCZ-MOPGFXCFSA-N 1 3 318.461 2.246 20 0 DEADHO CO[C@]1(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCOC1 ZINC000638067726 406552430 /nfs/dbraw/zinc/55/24/30/406552430.db2.gz UIZMKETYOZTPCZ-MOPGFXCFSA-N 1 3 318.461 2.246 20 0 DEADHO C[C@@H]1CCN(C)CCN1C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000572132943 406611042 /nfs/dbraw/zinc/61/10/42/406611042.db2.gz SHSBUCSDBHWVJK-AEFFLSMTSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@@H]1CCN(C)CCN1C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000572132943 406611045 /nfs/dbraw/zinc/61/10/45/406611045.db2.gz SHSBUCSDBHWVJK-AEFFLSMTSA-N 1 3 315.461 2.061 20 0 DEADHO CO[C@H](CN1CC[C@H](C[NH+]2CCCCC2)C1)C1CCOCC1 ZINC000638120054 406580426 /nfs/dbraw/zinc/58/04/26/406580426.db2.gz CBANIRWJFCLEAT-SJLPKXTDSA-N 1 3 310.482 2.236 20 0 DEADHO CO[C@H](C[N@@H+]1CC[C@H](CN2CCCCC2)C1)C1CCOCC1 ZINC000638120054 406580429 /nfs/dbraw/zinc/58/04/29/406580429.db2.gz CBANIRWJFCLEAT-SJLPKXTDSA-N 1 3 310.482 2.236 20 0 DEADHO CO[C@H](C[N@H+]1CC[C@H](CN2CCCCC2)C1)C1CCOCC1 ZINC000638120054 406580434 /nfs/dbraw/zinc/58/04/34/406580434.db2.gz CBANIRWJFCLEAT-SJLPKXTDSA-N 1 3 310.482 2.236 20 0 DEADHO CCN[C@H](C)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000638119759 406580484 /nfs/dbraw/zinc/58/04/84/406580484.db2.gz AQYCOIJSNTXPAV-CYBMUJFWSA-N 1 3 302.422 2.139 20 0 DEADHO CN1CCC[C@H](CNC(=O)C2=CC[C@@H]([NH3+])C2)[C@H]1c1cccs1 ZINC000638123467 406581900 /nfs/dbraw/zinc/58/19/00/406581900.db2.gz ORFCSJUILFVMAY-FMKPAKJESA-N 1 3 319.474 2.295 20 0 DEADHO CC(C)CC[C@@H](N)C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000638332812 406705672 /nfs/dbraw/zinc/70/56/72/406705672.db2.gz KROZFIPADDETBT-GFCCVEGCSA-N 1 3 310.467 2.312 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000646010753 406742524 /nfs/dbraw/zinc/74/25/24/406742524.db2.gz JEGPOIAIFYRBAI-QSFKDOLUSA-N 1 3 307.482 2.131 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)/C=C/C[NH+](C)C)C1 ZINC000491848356 406746474 /nfs/dbraw/zinc/74/64/74/406746474.db2.gz NINOLQVPVJFOGL-KHWCHDCRSA-N 1 3 301.434 2.056 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)CS1 ZINC000638368505 406728740 /nfs/dbraw/zinc/72/87/40/406728740.db2.gz XRDNYWWUGSDYTF-MAUKXSAKSA-N 1 3 319.518 2.418 20 0 DEADHO C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000638369833 406730639 /nfs/dbraw/zinc/73/06/39/406730639.db2.gz GIBMOOYPEUTVTJ-YVSFHVDLSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1ccccc1[C@@H](CO)[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000554550913 406810253 /nfs/dbraw/zinc/81/02/53/406810253.db2.gz KBIDOKRSIJRINL-LJQANCHMSA-N 1 3 319.493 2.034 20 0 DEADHO C[C@@H]([NH3+])CCC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000646410110 406859740 /nfs/dbraw/zinc/85/97/40/406859740.db2.gz QYMRAWGXBRQSMC-WBVHZDCISA-N 1 3 303.450 2.457 20 0 DEADHO CC1(C)[C@H](NCCCc2nc(-c3ccccc3)no2)C[C@@H]1[NH3+] ZINC000641804939 406897062 /nfs/dbraw/zinc/89/70/62/406897062.db2.gz MHDATSBQHAHMOY-UONOGXRCSA-N 1 3 300.406 2.385 20 0 DEADHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CO[C@H](C)C3)cc2)CC1 ZINC000647172337 406964268 /nfs/dbraw/zinc/96/42/68/406964268.db2.gz SNBZNMULPIVNEX-VQIMIIECSA-N 1 3 317.477 2.091 20 0 DEADHO CC1(C)CN[C@@H]1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000647019648 406942501 /nfs/dbraw/zinc/94/25/01/406942501.db2.gz WUOOIWQDMPTVAL-LLVKDONJSA-N 1 3 301.312 2.101 20 0 DEADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1cccc(N2CCOCC2)c1 ZINC000643523963 407010699 /nfs/dbraw/zinc/01/06/99/407010699.db2.gz PXOWYTAPXLGTHO-XIRDDKMYSA-N 1 3 303.450 2.444 20 0 DEADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(N2CCOCC2)c1 ZINC000643523960 407010872 /nfs/dbraw/zinc/01/08/72/407010872.db2.gz PXOWYTAPXLGTHO-BHYGNILZSA-N 1 3 303.450 2.444 20 0 DEADHO C[C@H](CCCC[NH3+])N[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000643533243 407011482 /nfs/dbraw/zinc/01/14/82/407011482.db2.gz XPJYUKVQOGZCIL-BXUZGUMPSA-N 1 3 314.426 2.151 20 0 DEADHO c1ncn(-c2ccccc2CN2CCC([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000647542190 407016759 /nfs/dbraw/zinc/01/67/59/407016759.db2.gz PUFVVFGHZQWRLM-MRXNPFEDSA-N 1 3 311.433 2.089 20 0 DEADHO Cc1nn(C)c(N(C)C)c1CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543491 407017460 /nfs/dbraw/zinc/01/74/60/407017460.db2.gz OIDJYXCRRXZEBV-HZPDHXFCSA-N 1 3 319.497 2.006 20 0 DEADHO Cc1nn(C)c(N(C)C)c1CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543490 407017996 /nfs/dbraw/zinc/01/79/96/407017996.db2.gz OIDJYXCRRXZEBV-HOTGVXAUSA-N 1 3 319.497 2.006 20 0 DEADHO COC1([C@@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)CCCCC1 ZINC000643346142 406986265 /nfs/dbraw/zinc/98/62/65/406986265.db2.gz CNJDWQMQFBMMHW-SJORKVTESA-N 1 3 323.525 2.482 20 0 DEADHO CCN1CCC([NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)CC1 ZINC000647343806 406989255 /nfs/dbraw/zinc/98/92/55/406989255.db2.gz CLMYVOZLWKZFMT-MJGOQNOKSA-N 1 3 301.478 2.406 20 0 DEADHO CC(C)(CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)[C@@H]1CCCCO1 ZINC000643466871 407003813 /nfs/dbraw/zinc/00/38/13/407003813.db2.gz WRPZZYAMMRQLCF-VQHPVUNQSA-N 1 3 310.482 2.328 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccc(OCCN(C)C)cc2)C1 ZINC000647496696 407007498 /nfs/dbraw/zinc/00/74/98/407007498.db2.gz BHMXWYDTJYBYSN-DOTOQJQBSA-N 1 3 305.466 2.186 20 0 DEADHO CCOCCN1CCN(c2[nH+]ccc3[nH]ccc32)C[C@@H]1CC ZINC000647867203 407063974 /nfs/dbraw/zinc/06/39/74/407063974.db2.gz BLWMDXWQFIVIKV-AWEZNQCLSA-N 1 3 302.422 2.500 20 0 DEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)CCC(C)(C)[NH3+] ZINC000648150725 407126423 /nfs/dbraw/zinc/12/64/23/407126423.db2.gz OHHYJEJIZQXWEZ-UHFFFAOYSA-N 1 3 309.429 2.233 20 0 DEADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)CC(C)(C)[NH3+])cc1 ZINC000648169520 407130508 /nfs/dbraw/zinc/13/05/08/407130508.db2.gz SMJHESKXCGDHFW-MRXNPFEDSA-N 1 3 319.449 2.076 20 0 DEADHO CCCN(C(=O)NCC1CC[NH+](CCC)CC1)[C@@H]1CCN(C)C1 ZINC000645233247 407251005 /nfs/dbraw/zinc/25/10/05/407251005.db2.gz KBIGUGFMEWTGAW-QGZVFWFLSA-N 1 3 324.513 2.234 20 0 DEADHO CCCN(C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)[C@H]1CCN(C)C1 ZINC000645264094 407255739 /nfs/dbraw/zinc/25/57/39/407255739.db2.gz ZCBPEFSCTSIIMR-IRXDYDNUSA-N 1 3 324.513 2.233 20 0 DEADHO CCCN(C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)[C@H]1CCN(C)C1 ZINC000645264094 407255741 /nfs/dbraw/zinc/25/57/41/407255741.db2.gz ZCBPEFSCTSIIMR-IRXDYDNUSA-N 1 3 324.513 2.233 20 0 DEADHO CCCN(C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)[C@H]1CCN(C)C1 ZINC000645361824 407268856 /nfs/dbraw/zinc/26/88/56/407268856.db2.gz ZRRXQMNCVYOPIQ-SJORKVTESA-N 1 3 324.513 2.090 20 0 DEADHO CCCN(C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1)[C@H]1CCN(C)C1 ZINC000645361824 407268857 /nfs/dbraw/zinc/26/88/57/407268857.db2.gz ZRRXQMNCVYOPIQ-SJORKVTESA-N 1 3 324.513 2.090 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420902700 287010515 /nfs/dbraw/zinc/01/05/15/287010515.db2.gz AFTAEMZOCBEVJB-AQFXKWCLSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H](c1ccccc1Cl)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178511 287149892 /nfs/dbraw/zinc/14/98/92/287149892.db2.gz AZNTWLDQZGXFQT-STQMWFEESA-N 1 3 309.841 2.188 20 0 DEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000571465086 292551092 /nfs/dbraw/zinc/55/10/92/292551092.db2.gz ZXJONUBCUZVBFN-RCCFBDPRSA-N 1 3 315.461 2.256 20 0 DEADHO C[C@@H]1CC([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C[C@@H](C)C1 ZINC000414203229 287228577 /nfs/dbraw/zinc/22/85/77/287228577.db2.gz UXXCFFAUZRHIHT-IRXDYDNUSA-N 1 3 323.525 2.197 20 0 DEADHO C[C@H](N[C@@H]1C=C[C@H](CO)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000134644035 196409348 /nfs/dbraw/zinc/40/93/48/196409348.db2.gz FFAMVLSOWUCXQW-YQQAZPJKSA-N 1 3 304.434 2.215 20 0 DEADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H](CO)C2CCOCC2)CC1 ZINC000360807788 287288391 /nfs/dbraw/zinc/28/83/91/287288391.db2.gz XMJCFONCPCWYMO-MNEFBYGVSA-N 1 3 324.509 2.407 20 0 DEADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H](CO)C2CCOCC2)CC1 ZINC000360807788 287288392 /nfs/dbraw/zinc/28/83/92/287288392.db2.gz XMJCFONCPCWYMO-MNEFBYGVSA-N 1 3 324.509 2.407 20 0 DEADHO Cc1n[nH]c(CC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)n1 ZINC000291200183 222216019 /nfs/dbraw/zinc/21/60/19/222216019.db2.gz QBKIQKJPQYMNGN-RHSMWYFYSA-N 1 3 313.449 2.298 20 0 DEADHO Cc1nc(CC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)n[nH]1 ZINC000291200183 222216021 /nfs/dbraw/zinc/21/60/21/222216021.db2.gz QBKIQKJPQYMNGN-RHSMWYFYSA-N 1 3 313.449 2.298 20 0 DEADHO OC[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000291441851 222392333 /nfs/dbraw/zinc/39/23/33/222392333.db2.gz KOEDJLADGWHVSU-GOSISDBHSA-N 1 3 311.429 2.244 20 0 DEADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)N(C)C)cc1 ZINC000417317899 229008550 /nfs/dbraw/zinc/00/85/50/229008550.db2.gz XOFADRFNOJJOCU-UAGQMJEPSA-N 1 3 318.465 2.024 20 0 DEADHO C[C@H](NC(=O)N1CCNC(C)(C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417990784 229176325 /nfs/dbraw/zinc/17/63/25/229176325.db2.gz KVCXVJYUIIDYLQ-LSDHHAIUSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](NC(=O)N1CCNC(C)(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000417990784 229176329 /nfs/dbraw/zinc/17/63/29/229176329.db2.gz KVCXVJYUIIDYLQ-LSDHHAIUSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](NC(=O)N1CCN[C@H](C)[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417996314 229179022 /nfs/dbraw/zinc/17/90/22/229179022.db2.gz QZKBLAKMOCNMAM-QKPAOTATSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@H](NC(=O)N1CCN[C@H](C)[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000417996314 229179026 /nfs/dbraw/zinc/17/90/26/229179026.db2.gz QZKBLAKMOCNMAM-QKPAOTATSA-N 1 3 322.497 2.031 20 0 DEADHO C[NH+](C)CC1(CNC(=O)NC[C@H](N)c2ccccc2)CCCC1 ZINC000418034533 229195426 /nfs/dbraw/zinc/19/54/26/229195426.db2.gz XDQGLZSXSDHDFZ-INIZCTEOSA-N 1 3 318.465 2.108 20 0 DEADHO CON1CCC([NH2+][C@H](C)c2cccc(OCCN(C)C)c2)CC1 ZINC000421879023 230013075 /nfs/dbraw/zinc/01/30/75/230013075.db2.gz OFZBCPITYUXZII-OAHLLOKOSA-N 1 3 321.465 2.303 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cccc(CN2CCOCC2)c1 ZINC000422695375 230167070 /nfs/dbraw/zinc/16/70/70/230167070.db2.gz PROCETKTIBUWKF-RBUKOAKNSA-N 1 3 317.477 2.126 20 0 DEADHO c1ccc(CCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000422732473 230181402 /nfs/dbraw/zinc/18/14/02/230181402.db2.gz OLOCQVTVCUUMPN-IEBWSBKVSA-N 1 3 309.413 2.470 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(C(=O)N(C)C)CCCC1 ZINC000422736025 230183879 /nfs/dbraw/zinc/18/38/79/230183879.db2.gz VNBQALQLYWYSDK-ZDUSSCGKSA-N 1 3 318.465 2.148 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](CO)Cc1ccccc1 ZINC000422764446 230197152 /nfs/dbraw/zinc/19/71/52/230197152.db2.gz PPJKOXHBDQTIQK-YOEHRIQHSA-N 1 3 313.445 2.351 20 0 DEADHO Cc1cccc(N2CCC([NH2+][C@@H](C)[C@H]3CCCCN3)CC2)n1 ZINC000422769239 230200544 /nfs/dbraw/zinc/20/05/44/230200544.db2.gz VJYKHGBBDZCTCD-DOTOQJQBSA-N 1 3 302.466 2.479 20 0 DEADHO Cc1cccc(N2CCC(N[C@@H](C)[C@H]3CCCC[NH2+]3)CC2)n1 ZINC000422769239 230200548 /nfs/dbraw/zinc/20/05/48/230200548.db2.gz VJYKHGBBDZCTCD-DOTOQJQBSA-N 1 3 302.466 2.479 20 0 DEADHO CN(C)CCOc1ccccc1CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422833586 230231267 /nfs/dbraw/zinc/23/12/67/230231267.db2.gz YZKPIIZJEPCTBQ-DLBZAZTESA-N 1 3 305.466 2.377 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cccc(N2CCCC2=O)c1 ZINC000422866053 230251141 /nfs/dbraw/zinc/25/11/41/230251141.db2.gz POTXIVIIMNMHBM-WBVHZDCISA-N 1 3 301.434 2.421 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000422936041 230285796 /nfs/dbraw/zinc/28/57/96/230285796.db2.gz HTQVJFRIHYMABU-GJZGRUSLSA-N 1 3 324.900 2.177 20 0 DEADHO [NH3+]C[C@H]1CCC[C@H]1NCCOc1ccc(C(F)(F)F)cn1 ZINC000422986922 230305447 /nfs/dbraw/zinc/30/54/47/230305447.db2.gz DVUITWVSVAIHAO-ZYHUDNBSSA-N 1 3 303.328 2.196 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCc1csc(C(C)(C)C)n1 ZINC000423020834 230320409 /nfs/dbraw/zinc/32/04/09/230320409.db2.gz CWSCWYOORIGSCA-UBHSHLNASA-N 1 3 311.495 2.325 20 0 DEADHO COCCOCc1ccc(CN[C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000423138386 230361564 /nfs/dbraw/zinc/36/15/64/230361564.db2.gz JEEJOZZNXAQQIS-YJBOKZPZSA-N 1 3 306.450 2.327 20 0 DEADHO [NH3+]C1(CC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CCC1 ZINC000309910109 424893887 /nfs/dbraw/zinc/89/38/87/424893887.db2.gz RQMIMARGTOBDQX-QGZVFWFLSA-N 1 3 315.461 2.286 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC[N@@H+]1C ZINC000648719644 424897791 /nfs/dbraw/zinc/89/77/91/424897791.db2.gz FVKJCEUGXZPDAM-NXHRZFHOSA-N 1 3 315.461 2.280 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC[N@H+]1C ZINC000648719644 424897794 /nfs/dbraw/zinc/89/77/94/424897794.db2.gz FVKJCEUGXZPDAM-NXHRZFHOSA-N 1 3 315.461 2.280 20 0 DEADHO C[C@@H](C(=O)N1CCc2ccccc2[C@H]1C[NH3+])N1CCCCCC1 ZINC000649371439 425003158 /nfs/dbraw/zinc/00/31/58/425003158.db2.gz GBNFMXOZCGNERT-MAUKXSAKSA-N 1 3 315.461 2.336 20 0 DEADHO Cc1cccc(N2CCC(N[C@@H](C)C[C@@H]3CCC[NH2+]3)CC2)n1 ZINC000415086659 424949277 /nfs/dbraw/zinc/94/92/77/424949277.db2.gz JYEKEGCCICESQZ-RDJZCZTQSA-N 1 3 302.466 2.479 20 0 DEADHO C[C@@H]1CCN[C@H](C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000649328718 424994038 /nfs/dbraw/zinc/99/40/38/424994038.db2.gz CNAVSPCQNXGSCQ-PBHICJAKSA-N 1 3 319.449 2.344 20 0 DEADHO CCOc1cccc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)n1 ZINC000650707686 425040310 /nfs/dbraw/zinc/04/03/10/425040310.db2.gz KUOVAKOBDVIMOQ-YQQAZPJKSA-N 1 3 319.449 2.199 20 0 DEADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2cnc3ccccn23)C1 ZINC000650722250 425041982 /nfs/dbraw/zinc/04/19/82/425041982.db2.gz NXAWVRKYVXTPTO-DJIMGWMZSA-N 1 3 314.433 2.195 20 0 DEADHO CC(C)(C)n1cc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cn1 ZINC000650721889 425042671 /nfs/dbraw/zinc/04/26/71/425042671.db2.gz FHMQDPBGPGZYLL-BBWFWOEESA-N 1 3 320.481 2.499 20 0 DEADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)CCN1CCCCC1 ZINC000650731455 425044272 /nfs/dbraw/zinc/04/42/72/425044272.db2.gz YFOIMIZSAGNHEO-IAGOWNOFSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(C)CCN1CCCCC1 ZINC000650731455 425044275 /nfs/dbraw/zinc/04/42/75/425044275.db2.gz YFOIMIZSAGNHEO-IAGOWNOFSA-N 1 3 324.513 2.234 20 0 DEADHO CC[N@H+](CCCN[C@@H](C)C[C@H]1COCCN1)C1CCCCC1 ZINC000650741695 425046002 /nfs/dbraw/zinc/04/60/02/425046002.db2.gz JRDBONQHYLGINC-IRXDYDNUSA-N 1 3 311.514 2.388 20 0 DEADHO CC[N@@H+](CCCN[C@@H](C)C[C@H]1COCCN1)C1CCCCC1 ZINC000650741695 425046004 /nfs/dbraw/zinc/04/60/04/425046004.db2.gz JRDBONQHYLGINC-IRXDYDNUSA-N 1 3 311.514 2.388 20 0 DEADHO Clc1ccc(CN2CCCN(C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000649411436 425013720 /nfs/dbraw/zinc/01/37/20/425013720.db2.gz XYUUCCBFKXBVRQ-INIZCTEOSA-N 1 3 307.869 2.457 20 0 DEADHO CCN1C[C@@H](CN(C)CC[C@H]2CC[NH2+]C2)Oc2ccccc21 ZINC000649411414 425014066 /nfs/dbraw/zinc/01/40/66/425014066.db2.gz UXNPNZYJXKOGGG-HZPDHXFCSA-N 1 3 303.450 2.205 20 0 DEADHO CCN(CCC[NH+](C)C)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000666755748 425175525 /nfs/dbraw/zinc/17/55/25/425175525.db2.gz KWQRNSVJIAXNEF-MRXNPFEDSA-N 1 3 312.502 2.090 20 0 DEADHO CC(C)N1CCCN(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000666759565 425176983 /nfs/dbraw/zinc/17/69/83/425176983.db2.gz GQEQTVKLYKXNQZ-QGZVFWFLSA-N 1 3 324.513 2.233 20 0 DEADHO CC1(C)CC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)CC(C)(C)C1 ZINC000656790621 425191659 /nfs/dbraw/zinc/19/16/59/425191659.db2.gz FAPGSKUYROVDPR-HNNXBMFYSA-N 1 3 309.498 2.332 20 0 DEADHO CC1(C)CC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)CC(C)(C)C1 ZINC000656790621 425191660 /nfs/dbraw/zinc/19/16/60/425191660.db2.gz FAPGSKUYROVDPR-HNNXBMFYSA-N 1 3 309.498 2.332 20 0 DEADHO CN1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)COCc1cccs1)C2 ZINC000660653906 425194794 /nfs/dbraw/zinc/19/47/94/425194794.db2.gz DKFIHRMNCHDDCR-WBVHZDCISA-N 1 3 324.490 2.043 20 0 DEADHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)COCc1cccs1)C2 ZINC000660653906 425194798 /nfs/dbraw/zinc/19/47/98/425194798.db2.gz DKFIHRMNCHDDCR-WBVHZDCISA-N 1 3 324.490 2.043 20 0 DEADHO COC[C@H](CC(C)(C)C)[NH2+]CC1(O)CCN(C(C)C)CC1 ZINC000651732564 425144991 /nfs/dbraw/zinc/14/49/91/425144991.db2.gz ZLGLXXLDXJHDGI-HNNXBMFYSA-N 1 3 300.487 2.263 20 0 DEADHO CC(C)[NH+]1CCC(NC[C@@]2(CO)CCc3ccccc32)CC1 ZINC000651884710 425150656 /nfs/dbraw/zinc/15/06/56/425150656.db2.gz OGSYZIZFHQNRRL-LJQANCHMSA-N 1 3 302.462 2.325 20 0 DEADHO CC(C)c1ccnc(N2CCN(C[C@H]3CC[NH2+][C@@H](C)C3)CC2)n1 ZINC000666699837 425164065 /nfs/dbraw/zinc/16/40/65/425164065.db2.gz YHXINJQCRUZVQN-HOTGVXAUSA-N 1 3 317.481 2.110 20 0 DEADHO C[C@H]1CN(c2[nH+]ccc3[nH]ccc32)CC[C@@H]1N1CCN(C)CC1 ZINC000663757748 425229238 /nfs/dbraw/zinc/22/92/38/425229238.db2.gz UXIBAJRPYSPBJW-YOEHRIQHSA-N 1 3 313.449 2.025 20 0 DEADHO C[NH2+]Cc1ccccc1CNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000652287465 425231513 /nfs/dbraw/zinc/23/15/13/425231513.db2.gz YLYPSLRYFAZTGQ-RHSMWYFYSA-N 1 3 318.465 2.030 20 0 DEADHO CCN(C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1)[C@H]1CCN(CC)C1 ZINC000663794992 425238604 /nfs/dbraw/zinc/23/86/04/425238604.db2.gz ZHINTNFNULUVKN-ULQDDVLXSA-N 1 3 324.513 2.233 20 0 DEADHO CCN(C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1)[C@H]1CCN(CC)C1 ZINC000663794992 425238607 /nfs/dbraw/zinc/23/86/07/425238607.db2.gz ZHINTNFNULUVKN-ULQDDVLXSA-N 1 3 324.513 2.233 20 0 DEADHO CCc1noc(C)c1CN1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652362815 425249876 /nfs/dbraw/zinc/24/98/76/425249876.db2.gz QFBQDOZTNVYSQQ-XYPHTWIQSA-N 1 3 307.438 2.406 20 0 DEADHO CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CCN(C)C1 ZINC000664151968 425316488 /nfs/dbraw/zinc/31/64/88/425316488.db2.gz SMTQJFGNQJIEIP-CABCVRRESA-N 1 3 312.502 2.088 20 0 DEADHO Cc1[nH]c2ncnc(N[C@@H](C)C[N@H+](C)CCCN(C)C)c2c1C ZINC000664194788 425328918 /nfs/dbraw/zinc/32/89/18/425328918.db2.gz HOWHRJFCUJQFDV-LBPRGKRZSA-N 1 3 318.469 2.259 20 0 DEADHO Cc1[nH]c2ncnc(N[C@@H](C)C[N@@H+](C)CCCN(C)C)c2c1C ZINC000664194788 425328920 /nfs/dbraw/zinc/32/89/20/425328920.db2.gz HOWHRJFCUJQFDV-LBPRGKRZSA-N 1 3 318.469 2.259 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1noc(-c2ccccc2)n1 ZINC000664196242 425329758 /nfs/dbraw/zinc/32/97/58/425329758.db2.gz IOZFIHXKHLACPJ-AWEZNQCLSA-N 1 3 317.437 2.421 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1noc(-c2ccccc2)n1 ZINC000664196242 425329763 /nfs/dbraw/zinc/32/97/63/425329763.db2.gz IOZFIHXKHLACPJ-AWEZNQCLSA-N 1 3 317.437 2.421 20 0 DEADHO c1nc2n(c1C[NH2+]C[C@H]1CCN(Cc3ccccc3)C1)CCC2 ZINC000657452850 425337568 /nfs/dbraw/zinc/33/75/68/425337568.db2.gz LANZDALYRCKWHS-QGZVFWFLSA-N 1 3 310.445 2.441 20 0 DEADHO CCN1CCN(CCC[NH2+]Cc2cc3ccncc3s2)CC1 ZINC000657308387 425300445 /nfs/dbraw/zinc/30/04/45/425300445.db2.gz QJMZOSJTMUWJGM-UHFFFAOYSA-N 1 3 318.490 2.414 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNCc2ccnn2-c2ccncc2)C1 ZINC000657348522 425311723 /nfs/dbraw/zinc/31/17/23/425311723.db2.gz YRLXUEUJVWKMAV-INIZCTEOSA-N 1 3 313.449 2.477 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNCc2ccnn2-c2ccncc2)C1 ZINC000657348522 425311725 /nfs/dbraw/zinc/31/17/25/425311725.db2.gz YRLXUEUJVWKMAV-INIZCTEOSA-N 1 3 313.449 2.477 20 0 DEADHO Cc1cccc2ncnc(NCC[N@@H+](C)CCCN(C)C)c12 ZINC000664248502 425344403 /nfs/dbraw/zinc/34/44/03/425344403.db2.gz ZHTKREMIEKGZSD-UHFFFAOYSA-N 1 3 301.438 2.234 20 0 DEADHO Cc1cccc2ncnc(NCC[N@H+](C)CCCN(C)C)c12 ZINC000664248502 425344407 /nfs/dbraw/zinc/34/44/07/425344407.db2.gz ZHTKREMIEKGZSD-UHFFFAOYSA-N 1 3 301.438 2.234 20 0 DEADHO COc1ccc(CNCC2CC[NH+](C3CCOCC3)CC2)cn1 ZINC000657537169 425358839 /nfs/dbraw/zinc/35/88/39/425358839.db2.gz AUSVOGGNAGKWDF-UHFFFAOYSA-N 1 3 319.449 2.071 20 0 DEADHO CC(C)n1cc(CNCC2CC[NH+](C3CCOCC3)CC2)cn1 ZINC000657535932 425359213 /nfs/dbraw/zinc/35/92/13/425359213.db2.gz TZTHRYLWQKAIMJ-UHFFFAOYSA-N 1 3 320.481 2.445 20 0 DEADHO CCC[NH+]1CCC(NC(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000654460079 425359453 /nfs/dbraw/zinc/35/94/53/425359453.db2.gz KXABCFOFHYBCHV-DLBZAZTESA-N 1 3 322.497 2.177 20 0 DEADHO Cc1noc(C)c1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657536845 425358267 /nfs/dbraw/zinc/35/82/67/425358267.db2.gz QXBMUDREEMHLOW-UHFFFAOYSA-N 1 3 307.438 2.272 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)[C@H]2CCC[NH2+]CC2)cc1 ZINC000653049192 425389068 /nfs/dbraw/zinc/38/90/68/425389068.db2.gz YUQCHMHGMVAIDE-IRXDYDNUSA-N 1 3 303.450 2.316 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000654596045 425394355 /nfs/dbraw/zinc/39/43/55/425394355.db2.gz GKQJZJQMHJXBCR-UHFFFAOYSA-N 1 3 324.513 2.375 20 0 DEADHO CN(C)CCN(Cc1ccccc1F)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653140183 425415702 /nfs/dbraw/zinc/41/57/02/425415702.db2.gz PSYOJAFTHJKHPF-OAHLLOKOSA-N 1 3 321.440 2.106 20 0 DEADHO CC[NH+](CC)Cc1ccc(CN[C@H](C)Cn2cncn2)cc1 ZINC000657827838 425406566 /nfs/dbraw/zinc/40/65/66/425406566.db2.gz QLZKMAUSKFNOMD-OAHLLOKOSA-N 1 3 301.438 2.298 20 0 DEADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[NH2+]CC1 ZINC000653111741 425407172 /nfs/dbraw/zinc/40/71/72/425407172.db2.gz YVSSHKZUFXOMEY-ZWKOTPCHSA-N 1 3 315.461 2.157 20 0 DEADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000653120360 425411082 /nfs/dbraw/zinc/41/10/82/425411082.db2.gz PAYWEGZKCGWBLE-ZWKOTPCHSA-N 1 3 315.461 2.157 20 0 DEADHO C[NH+]1CCC(C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)CC1 ZINC000652940402 425362865 /nfs/dbraw/zinc/36/28/65/425362865.db2.gz JDKZQRUGCBNGNC-LJQANCHMSA-N 1 3 315.461 2.109 20 0 DEADHO COc1ccc(CN[C@@H](C)CN(C)CCC[NH+](C)C)c(F)c1 ZINC000657573058 425368105 /nfs/dbraw/zinc/36/81/05/425368105.db2.gz IQTGADKLPNHXCE-AWEZNQCLSA-N 1 3 311.445 2.196 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCn3nccc32)C[C@H](C)O1 ZINC000657920088 425416507 /nfs/dbraw/zinc/41/65/07/425416507.db2.gz WADIDDUOLIDJRM-XHSDSOJGSA-N 1 3 306.454 2.197 20 0 DEADHO CN(C(=O)[C@H]1CCC[NH2+]CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000653148211 425418247 /nfs/dbraw/zinc/41/82/47/425418247.db2.gz RVPHVPNIMVGZMY-ZWKOTPCHSA-N 1 3 315.461 2.109 20 0 DEADHO CN(C)CCOc1cc(C[NH2+]C2CC(CF)(CF)C2)ccn1 ZINC000657937947 425419607 /nfs/dbraw/zinc/41/96/07/425419607.db2.gz XLLINZKBWVGVCB-UHFFFAOYSA-N 1 3 313.392 2.199 20 0 DEADHO COc1cc([C@H](C)N[C@@H](C)CN(C)CCC[NH+](C)C)ccn1 ZINC000658108778 425441340 /nfs/dbraw/zinc/44/13/40/425441340.db2.gz SBBQXFLBEIONRJ-GJZGRUSLSA-N 1 3 308.470 2.013 20 0 DEADHO OC/C=C\CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000658142968 425443605 /nfs/dbraw/zinc/44/36/05/425443605.db2.gz ZWBLHETXRDDBIK-NRWWLLTHSA-N 1 3 300.446 2.425 20 0 DEADHO OC/C=C\CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000658142968 425443610 /nfs/dbraw/zinc/44/36/10/425443610.db2.gz ZWBLHETXRDDBIK-NRWWLLTHSA-N 1 3 300.446 2.425 20 0 DEADHO OC/C=C\C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000658142968 425443614 /nfs/dbraw/zinc/44/36/14/425443614.db2.gz ZWBLHETXRDDBIK-NRWWLLTHSA-N 1 3 300.446 2.425 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1CCC2(CC2)CC1 ZINC000664756993 425449153 /nfs/dbraw/zinc/44/91/53/425449153.db2.gz NMCSXQFGNPEQBI-HNNXBMFYSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1CCC2(CC2)CC1 ZINC000664756993 425449157 /nfs/dbraw/zinc/44/91/57/425449157.db2.gz NMCSXQFGNPEQBI-HNNXBMFYSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H](C1CC1)C1CCC1 ZINC000665082410 425502625 /nfs/dbraw/zinc/50/26/25/425502625.db2.gz RWPULHLPQVADJI-YOEHRIQHSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H](C1CC1)C1CCC1 ZINC000665082410 425502628 /nfs/dbraw/zinc/50/26/28/425502628.db2.gz RWPULHLPQVADJI-YOEHRIQHSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000661896176 425520408 /nfs/dbraw/zinc/52/04/08/425520408.db2.gz FFIULXXXDPHNOX-MRXNPFEDSA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000661897227 425521752 /nfs/dbraw/zinc/52/17/52/425521752.db2.gz HZEUJGNKEHFGCG-IRXDYDNUSA-N 1 3 324.513 2.138 20 0 DEADHO CC[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000661897227 425521756 /nfs/dbraw/zinc/52/17/56/425521756.db2.gz HZEUJGNKEHFGCG-IRXDYDNUSA-N 1 3 324.513 2.138 20 0 DEADHO CN(C)[C@H](CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000655245358 425522111 /nfs/dbraw/zinc/52/21/11/425522111.db2.gz LAPLMFCQCIIVRR-HYVNUMGLSA-N 1 3 303.450 2.136 20 0 DEADHO FC1(F)C[C@@H]1OCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665244676 425526863 /nfs/dbraw/zinc/52/68/63/425526863.db2.gz SVMJWTFLCREKEY-KBMXLJTQSA-N 1 3 324.371 2.256 20 0 DEADHO C[C@H]1CN(C2CC2)C[C@H]1N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254599 425529951 /nfs/dbraw/zinc/52/99/51/425529951.db2.gz UTIPSLTWPOQCOY-JGNHQEBTSA-N 1 3 317.452 2.344 20 0 DEADHO C[C@@H]1C[C@@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CN1C1CC1 ZINC000665257426 425531565 /nfs/dbraw/zinc/53/15/65/425531565.db2.gz IVVZMHDDDMONCQ-ZQNRLITLSA-N 1 3 317.452 2.486 20 0 DEADHO CC(C)[C@H]([NH3+])CCN[C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000665281015 425535269 /nfs/dbraw/zinc/53/52/69/425535269.db2.gz RPWSHRYIQGDNFV-IUODEOHRSA-N 1 3 313.467 2.082 20 0 DEADHO CO[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000665283807 425536451 /nfs/dbraw/zinc/53/64/51/425536451.db2.gz VMHUECMQCZYMHI-WNRNVDISSA-N 1 3 310.482 2.328 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1 ZINC000665289361 425537121 /nfs/dbraw/zinc/53/71/21/425537121.db2.gz MHIOLQGFDUHKEM-XOSAIJSUSA-N 1 3 303.450 2.443 20 0 DEADHO C[C@H](C[C@H](C)N)[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1 ZINC000665289361 425537123 /nfs/dbraw/zinc/53/71/23/425537123.db2.gz MHIOLQGFDUHKEM-XOSAIJSUSA-N 1 3 303.450 2.443 20 0 DEADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)C[NH2+]C(C)C ZINC000659286270 425567057 /nfs/dbraw/zinc/56/70/57/425567057.db2.gz WLBMIYNYTHEFEZ-UHFFFAOYSA-N 1 3 321.490 2.480 20 0 DEADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C[C@@H]1NCc2ccccc21 ZINC000659318798 425575297 /nfs/dbraw/zinc/57/52/97/425575297.db2.gz HUBLHONVCSANOH-KDOFPFPSSA-N 1 3 315.461 2.410 20 0 DEADHO C[NH+](C)CC1CCC(NC(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000659319776 425576910 /nfs/dbraw/zinc/57/69/10/425576910.db2.gz WLQGADMLPGTFMT-JFUPDXTOSA-N 1 3 315.461 2.458 20 0 DEADHO Cc1ccc(CCC[NH+]2CCC(N3CC[C@H](O)C3)CC2)cc1 ZINC000662152854 425577834 /nfs/dbraw/zinc/57/78/34/425577834.db2.gz IDKGUKSQNKFPFB-IBGZPJMESA-N 1 3 302.462 2.459 20 0 DEADHO COCC[C@H](c1ccccc1)[NH+]1CCC(N2CC[C@H](O)C2)CC1 ZINC000662153002 425578307 /nfs/dbraw/zinc/57/83/07/425578307.db2.gz LVBLVUMMDYFYBP-RBUKOAKNSA-N 1 3 318.461 2.295 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000655494624 425581527 /nfs/dbraw/zinc/58/15/27/425581527.db2.gz LSBUFLLCBBCCCJ-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccc2c(c1)C[NH2+]C2 ZINC000659366438 425587530 /nfs/dbraw/zinc/58/75/30/425587530.db2.gz KAGGDDSGFNWNNF-GOSISDBHSA-N 1 3 323.396 2.203 20 0 DEADHO c1csc(CN(C[C@H]2CCC3(C[NH2+]C3)O2)C[C@@H]2CCCO2)c1 ZINC000662248519 425599634 /nfs/dbraw/zinc/59/96/34/425599634.db2.gz DWFZINGUHAFTOI-LSDHHAIUSA-N 1 3 322.474 2.250 20 0 DEADHO Cc1noc(C2CCN(Cc3cccc4c3CC[NH2+]C4)CC2)n1 ZINC000662252483 425601199 /nfs/dbraw/zinc/60/11/99/425601199.db2.gz MPWPNUKVFZWKOC-UHFFFAOYSA-N 1 3 312.417 2.403 20 0 DEADHO COc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662254155 425601358 /nfs/dbraw/zinc/60/13/58/425601358.db2.gz MOWBJUOVYIVWDR-DLBZAZTESA-N 1 3 316.445 2.223 20 0 DEADHO COc1ccccc1C[C@@H]1CCC[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662254155 425601362 /nfs/dbraw/zinc/60/13/62/425601362.db2.gz MOWBJUOVYIVWDR-DLBZAZTESA-N 1 3 316.445 2.223 20 0 DEADHO Cc1csc(C2(NC[C@H]3CCC4(C[NH2+]C4)O3)CCCC2)n1 ZINC000662263395 425605892 /nfs/dbraw/zinc/60/58/92/425605892.db2.gz MGRXNLRFPUDXCE-CYBMUJFWSA-N 1 3 307.463 2.331 20 0 DEADHO CN(c1ccccc1)C1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662261869 425606850 /nfs/dbraw/zinc/60/68/50/425606850.db2.gz BVLKEJVPMWHXSN-GOSISDBHSA-N 1 3 315.461 2.108 20 0 DEADHO CN(C)C(=O)CC1CCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662278331 425609801 /nfs/dbraw/zinc/60/98/01/425609801.db2.gz FYFUBVRNVTWWTE-UHFFFAOYSA-N 1 3 315.461 2.023 20 0 DEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc2c1CNC2 ZINC000662405890 425642726 /nfs/dbraw/zinc/64/27/26/425642726.db2.gz AEMXETPNHQKPQP-ZNMIVQPWSA-N 1 3 315.461 2.386 20 0 DEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc2c1CNC2 ZINC000662405890 425642730 /nfs/dbraw/zinc/64/27/30/425642730.db2.gz AEMXETPNHQKPQP-ZNMIVQPWSA-N 1 3 315.461 2.386 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662422373 425647817 /nfs/dbraw/zinc/64/78/17/425647817.db2.gz VGNRMCLXLGKCJF-CRAIPNDOSA-N 1 3 315.461 2.458 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662422373 425647822 /nfs/dbraw/zinc/64/78/22/425647822.db2.gz VGNRMCLXLGKCJF-CRAIPNDOSA-N 1 3 315.461 2.458 20 0 DEADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN([C@@H]2CCO[C@H](C)C2)CC1 ZINC000659862905 425672130 /nfs/dbraw/zinc/67/21/30/425672130.db2.gz FFJGDPRAOCRWFY-WNRNVDISSA-N 1 3 309.498 2.044 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000662526057 425674392 /nfs/dbraw/zinc/67/43/92/425674392.db2.gz PKYMLJIADXTFNQ-DLBZAZTESA-N 1 3 303.450 2.328 20 0 DEADHO C[C@@H](CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)N1CCCC1 ZINC000662523413 425674513 /nfs/dbraw/zinc/67/45/13/425674513.db2.gz BYGDRZZPPSAEQP-YOEHRIQHSA-N 1 3 315.461 2.279 20 0 DEADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3cc(C4CC4)no3)C2)C1 ZINC000662283710 425613835 /nfs/dbraw/zinc/61/38/35/425613835.db2.gz CRRYFDHZMRZKCQ-CKEIUWERSA-N 1 3 305.422 2.270 20 0 DEADHO C[C@H]1CCCCN1C(=O)CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290430 425614917 /nfs/dbraw/zinc/61/49/17/425614917.db2.gz UXJBXPUNIWWYFP-RDJZCZTQSA-N 1 3 307.482 2.099 20 0 DEADHO COc1ccnc(CN2CCC[C@@H](C)[C@H]2CCC[NH3+])c1OC ZINC000662316325 425621611 /nfs/dbraw/zinc/62/16/11/425621611.db2.gz UDHPTJSPKOZXCG-UKRRQHHQSA-N 1 3 307.438 2.438 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000662337839 425627267 /nfs/dbraw/zinc/62/72/67/425627267.db2.gz VCOXCZPBUPUBLN-NXHRZFHOSA-N 1 3 313.445 2.212 20 0 DEADHO CCC(CC)[C@@H](C[NH2+]C1CCN([C@H]2CCOC2)CC1)N(C)C ZINC000655687705 425628211 /nfs/dbraw/zinc/62/82/11/425628211.db2.gz WSCFNSVIRRRXBC-ZWKOTPCHSA-N 1 3 311.514 2.196 20 0 DEADHO CN(C)C1(C[NH2+]C2CCN([C@H]3CCOC3)CC2)CCCCC1 ZINC000655690237 425629028 /nfs/dbraw/zinc/62/90/28/425629028.db2.gz IYTFPUMWXHJRMN-KRWDZBQOSA-N 1 3 309.498 2.094 20 0 DEADHO CN(C)[C@@H](CNC1CC[NH+]([C@@H]2CCOC2)CC1)c1cccs1 ZINC000655689042 425629984 /nfs/dbraw/zinc/62/99/84/425629984.db2.gz DMMHUIQYZPTHEJ-CVEARBPZSA-N 1 3 323.506 2.194 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc2c1CNC2 ZINC000662352693 425630467 /nfs/dbraw/zinc/63/04/67/425630467.db2.gz ZWLPSGTXDCWTSQ-CQSZACIVSA-N 1 3 301.434 2.284 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cccc2c1CNC2 ZINC000662352693 425630470 /nfs/dbraw/zinc/63/04/70/425630470.db2.gz ZWLPSGTXDCWTSQ-CQSZACIVSA-N 1 3 301.434 2.284 20 0 DEADHO C[C@@H]1CCC[C@@H](C)N1CC[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000655711084 425635451 /nfs/dbraw/zinc/63/54/51/425635451.db2.gz GOBVSSUTBCADTB-LMMKCTJWSA-N 1 3 323.525 2.482 20 0 DEADHO CC1CC[NH+](CCNC(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000662388414 425639473 /nfs/dbraw/zinc/63/94/73/425639473.db2.gz QDRPBYVMZOIOPV-KRWDZBQOSA-N 1 3 301.434 2.069 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC2(CCC2)C[C@H]1C ZINC000665763086 425641209 /nfs/dbraw/zinc/64/12/09/425641209.db2.gz YEWFRDHDYMGMMQ-JKSUJKDBSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC2(CCC2)C[C@H]1C ZINC000665763086 425641213 /nfs/dbraw/zinc/64/12/13/425641213.db2.gz YEWFRDHDYMGMMQ-JKSUJKDBSA-N 1 3 324.513 2.233 20 0 DEADHO CCN(CC1CCC1)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665762850 425641232 /nfs/dbraw/zinc/64/12/32/425641232.db2.gz RVNZQIIYOFGWAU-HNNXBMFYSA-N 1 3 312.502 2.090 20 0 DEADHO CCN(CC1CCC1)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665762850 425641237 /nfs/dbraw/zinc/64/12/37/425641237.db2.gz RVNZQIIYOFGWAU-HNNXBMFYSA-N 1 3 312.502 2.090 20 0 DEADHO CC(C)CC1(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000665765030 425642016 /nfs/dbraw/zinc/64/20/16/425642016.db2.gz XTHZRKOBXCAGDS-HNNXBMFYSA-N 1 3 312.502 2.136 20 0 DEADHO CC(C)CC1(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000665765030 425642018 /nfs/dbraw/zinc/64/20/18/425642018.db2.gz XTHZRKOBXCAGDS-HNNXBMFYSA-N 1 3 312.502 2.136 20 0 DEADHO [NH3+]CCN(CCc1ccccc1)C(=O)C[C@H]1NCc2ccccc21 ZINC000662562224 425681332 /nfs/dbraw/zinc/68/13/32/425681332.db2.gz HQDGYODGNXTWDM-LJQANCHMSA-N 1 3 323.440 2.251 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000655907321 425681944 /nfs/dbraw/zinc/68/19/44/425681944.db2.gz HSFPWFUPAIKLJR-UHFFFAOYSA-N 1 3 304.438 2.483 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000655962661 425694099 /nfs/dbraw/zinc/69/40/99/425694099.db2.gz AFCNPVSTVXAPTA-CABCVRRESA-N 1 3 310.486 2.020 20 0 DEADHO CC1CCN([C@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2)c2cccs2)CC1 ZINC000662662190 425705931 /nfs/dbraw/zinc/70/59/31/425705931.db2.gz BNBJTSREDWOLJW-RBSFLKMASA-N 1 3 321.490 2.375 20 0 DEADHO NC[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC000662667954 425707879 /nfs/dbraw/zinc/70/78/79/425707879.db2.gz FCOHGTLQGOAWJA-FUHWJXTLSA-N 1 3 315.461 2.252 20 0 DEADHO NC[C@@H](C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000662667954 425707882 /nfs/dbraw/zinc/70/78/82/425707882.db2.gz FCOHGTLQGOAWJA-FUHWJXTLSA-N 1 3 315.461 2.252 20 0 DEADHO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1CNCc2ccccc21 ZINC000662835859 425744344 /nfs/dbraw/zinc/74/43/44/425744344.db2.gz SMSMHCVGLZTCMT-RCCFBDPRSA-N 1 3 313.445 2.007 20 0 DEADHO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1CNCc2ccccc21 ZINC000662835859 425744347 /nfs/dbraw/zinc/74/43/47/425744347.db2.gz SMSMHCVGLZTCMT-RCCFBDPRSA-N 1 3 313.445 2.007 20 0 DEADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C[C@@H]1NCc2ccccc21 ZINC000662684218 425712526 /nfs/dbraw/zinc/71/25/26/425712526.db2.gz CDWQBRPDYTVNJP-PBHICJAKSA-N 1 3 301.434 2.021 20 0 DEADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C[C@@H]1NCc2ccccc21 ZINC000662684218 425712528 /nfs/dbraw/zinc/71/25/28/425712528.db2.gz CDWQBRPDYTVNJP-PBHICJAKSA-N 1 3 301.434 2.021 20 0 DEADHO C[C@H]1CCC[C@@](CNC(=O)C2(N)CC3(CCC3)C2)([NH+](C)C)C1 ZINC000662692228 425714399 /nfs/dbraw/zinc/71/43/99/425714399.db2.gz NAQPFNMSZLPIEG-WMLDXEAASA-N 1 3 307.482 2.275 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662692210 425714735 /nfs/dbraw/zinc/71/47/35/425714735.db2.gz CIFOHFBZGPNCTH-MGNMYUMUSA-N 1 3 307.482 2.144 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000662694008 425714956 /nfs/dbraw/zinc/71/49/56/425714956.db2.gz NLQWEAHBCGTWDO-HYLCPLCXSA-N 1 3 321.509 2.377 20 0 DEADHO CC(C)[C@H](N)c1cn(C[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656468974 425776805 /nfs/dbraw/zinc/77/68/05/425776805.db2.gz XDIZCBYQTBJFKS-WMZOPIPTSA-N 1 3 313.449 2.456 20 0 DEADHO CC(C)[C@H](N)c1cn(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656468974 425776809 /nfs/dbraw/zinc/77/68/09/425776809.db2.gz XDIZCBYQTBJFKS-WMZOPIPTSA-N 1 3 313.449 2.456 20 0 DEADHO Cc1ncc2c(n1)CC[C@H]([NH2+]C1CCN(c3ccncc3)CC1)C2 ZINC000656474897 425778598 /nfs/dbraw/zinc/77/85/98/425778598.db2.gz XTICWKHIQBQEFK-KRWDZBQOSA-N 1 3 323.444 2.296 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662846742 425748324 /nfs/dbraw/zinc/74/83/24/425748324.db2.gz ULWPBHBNFWCRDH-UXLLHSPISA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@H](C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)N(CC)CC ZINC000662845406 425748649 /nfs/dbraw/zinc/74/86/49/425748649.db2.gz HZSQEWWJZLJELP-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N1CCN(C2CC[NH+]([C@H]3COC(C)(C)C3)CC2)CC1 ZINC000660151519 425752031 /nfs/dbraw/zinc/75/20/31/425752031.db2.gz TVBBWBCOIOCVEM-QGZVFWFLSA-N 1 3 309.498 2.044 20 0 DEADHO CO[C@H](C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1)C1CCC1 ZINC000660149208 425752845 /nfs/dbraw/zinc/75/28/45/425752845.db2.gz BOTXWIFBKURGKB-LJQANCHMSA-N 1 3 323.525 2.292 20 0 DEADHO CC[C@H](C(=O)Nc1ccc([C@@H]2CNCCO2)cc1)[NH+](CC)CC ZINC000662884115 425756026 /nfs/dbraw/zinc/75/60/26/425756026.db2.gz LWWKHLNZWABHIW-SJORKVTESA-N 1 3 319.449 2.406 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000423143457 269115624 /nfs/dbraw/zinc/11/56/24/269115624.db2.gz DDXGKZXANNLWGM-PXAZEXFGSA-N 1 3 317.408 2.242 20 0 DEADHO C[C@H]1CCCN(CCNC(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000454325839 269143288 /nfs/dbraw/zinc/14/32/88/269143288.db2.gz RMBCUBMGGLFQDK-KRWDZBQOSA-N 1 3 324.513 2.284 20 0 DEADHO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC[C@@H]2CCCN2C)C1 ZINC000495520149 269150302 /nfs/dbraw/zinc/15/03/02/269150302.db2.gz PBDWPWUYEQFCRE-JYJNAYRXSA-N 1 3 311.470 2.317 20 0 DEADHO C[C@H](C[N@@H+]1CC[C@]2(C1)CCCN(C)C2)NC(=O)OC(C)(C)C ZINC000496558205 269229680 /nfs/dbraw/zinc/22/96/80/269229680.db2.gz GLOAIAGPKHGKJN-RHSMWYFYSA-N 1 3 311.470 2.317 20 0 DEADHO C[C@H](C[N@H+]1CC[C@]2(C1)CCCN(C)C2)NC(=O)OC(C)(C)C ZINC000496558205 269229681 /nfs/dbraw/zinc/22/96/81/269229681.db2.gz GLOAIAGPKHGKJN-RHSMWYFYSA-N 1 3 311.470 2.317 20 0 DEADHO C[C@@H]1C[N@H+](C)CC[C@H]1N[C@H](COC(N)=O)Cc1ccccc1 ZINC000496759643 269249190 /nfs/dbraw/zinc/24/91/90/269249190.db2.gz OOTYFYXBMLNXLE-VNQPRFMTSA-N 1 3 305.422 2.037 20 0 DEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@H](COC(N)=O)Cc1ccccc1 ZINC000496759643 269249191 /nfs/dbraw/zinc/24/91/91/269249191.db2.gz OOTYFYXBMLNXLE-VNQPRFMTSA-N 1 3 305.422 2.037 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)N(C)C ZINC000511255169 269320832 /nfs/dbraw/zinc/32/08/32/269320832.db2.gz VJWUIUVJZNDXTA-VYDXJSESSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)N(C)C ZINC000511255169 269320833 /nfs/dbraw/zinc/32/08/33/269320833.db2.gz VJWUIUVJZNDXTA-VYDXJSESSA-N 1 3 309.498 2.342 20 0 DEADHO C[C@H](CNC[C@H](O)COCc1ccccc1)C[NH+]1CCCCC1 ZINC000514788817 269331393 /nfs/dbraw/zinc/33/13/93/269331393.db2.gz NEQAPHKCXXQXKV-MJGOQNOKSA-N 1 3 320.477 2.276 20 0 DEADHO C[C@H](C[NH2+]C[C@H](O)COCc1ccccc1)CN1CCCCC1 ZINC000514788817 269331395 /nfs/dbraw/zinc/33/13/95/269331395.db2.gz NEQAPHKCXXQXKV-MJGOQNOKSA-N 1 3 320.477 2.276 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000516313128 269361450 /nfs/dbraw/zinc/36/14/50/269361450.db2.gz KRDKWZAFACXQGA-IYBDPMFKSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000516313128 269361452 /nfs/dbraw/zinc/36/14/52/269361452.db2.gz KRDKWZAFACXQGA-IYBDPMFKSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H](CCc1ccco1)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000516670835 269367515 /nfs/dbraw/zinc/36/75/15/269367515.db2.gz ZHJWDXJPXILENN-INIZCTEOSA-N 1 3 321.465 2.183 20 0 DEADHO C[NH+]1CCC(CCNC(=O)N2CCCN(C(C)(C)C)CC2)CC1 ZINC000517754200 269392000 /nfs/dbraw/zinc/39/20/00/269392000.db2.gz BZSOVNHCTRTIES-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)NC[C@H](C)C[NH2+]C)N(C)C)cc1 ZINC000416832529 273770217 /nfs/dbraw/zinc/77/02/17/273770217.db2.gz BZFXAEFGVRNXFA-RHSMWYFYSA-N 1 3 320.481 2.006 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)NC[C@H]1CCC[NH2+]C1 ZINC000423202067 274161722 /nfs/dbraw/zinc/16/17/22/274161722.db2.gz AKCZCZASLUTJNT-KBPBESRZSA-N 1 3 305.422 2.002 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCNC1 ZINC000423202067 274161725 /nfs/dbraw/zinc/16/17/25/274161725.db2.gz AKCZCZASLUTJNT-KBPBESRZSA-N 1 3 305.422 2.002 20 0 DEADHO O=C1Nc2ccccc2CC[C@H]1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261899957 275025750 /nfs/dbraw/zinc/02/57/50/275025750.db2.gz OSDXHYVLIJNWFJ-FUHWJXTLSA-N 1 3 313.445 2.404 20 0 DEADHO CCN1CC[C@H]([NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)[C@H](C)C1 ZINC000305763545 276228363 /nfs/dbraw/zinc/22/83/63/276228363.db2.gz ARCKGCZLPIRYJM-QXCFHYIPSA-N 1 3 323.525 2.074 20 0 DEADHO CCCCN(C)CCNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000417612964 276229484 /nfs/dbraw/zinc/22/94/84/276229484.db2.gz SBQLDMHMLQTWBV-IAGOWNOFSA-N 1 3 324.513 2.282 20 0 DEADHO CC[NH+](CC)CCCNC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000291445992 276325542 /nfs/dbraw/zinc/32/55/42/276325542.db2.gz LEVNSCADOKYMHW-HZPDHXFCSA-N 1 3 318.417 2.139 20 0 DEADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)N2CCCC[C@H]2CC)CC1 ZINC000430558900 276419962 /nfs/dbraw/zinc/41/99/62/276419962.db2.gz ZGBBNIKWGFIMPT-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO C[NH+](C)Cc1ccc(CNC(=O)[C@@H](C2CC2)N2CCCC2)cc1 ZINC000125847163 276771413 /nfs/dbraw/zinc/77/14/13/276771413.db2.gz XBVIOMOOYKWJMN-GOSISDBHSA-N 1 3 315.461 2.239 20 0 DEADHO CC(C)(C)O[C@@H]1C[C@H](NC[C@H](O)C[NH+]2CCCCC2)C1(C)C ZINC000414067590 277218280 /nfs/dbraw/zinc/21/82/80/277218280.db2.gz JCGVROGVDJDNEH-HRCADAONSA-N 1 3 312.498 2.405 20 0 DEADHO CC(C)CN(C(=O)C[C@@H]1CCC[NH2+]CC1)C1CCN(C)CC1 ZINC000423759054 277372664 /nfs/dbraw/zinc/37/26/64/277372664.db2.gz LFSBAASDRWICAU-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CC(=O)N1CC[C@H]([NH2+]C[C@@H](C)CN(C)C)c2ccccc2C1 ZINC000425943353 278055990 /nfs/dbraw/zinc/05/59/90/278055990.db2.gz IMNDOCBZBDHFER-KDOFPFPSSA-N 1 3 303.450 2.267 20 0 DEADHO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N1CCC2(C1)CC[NH2+]CC2 ZINC000358501859 278212344 /nfs/dbraw/zinc/21/23/44/278212344.db2.gz UFLBXUHMZUNCBM-QZWWFDLISA-N 1 3 321.509 2.391 20 0 DEADHO C[C@H]([NH3+])CC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000261715493 278224638 /nfs/dbraw/zinc/22/46/38/278224638.db2.gz DUSZCYOJRBYZPU-QFBILLFUSA-N 1 3 315.461 2.238 20 0 DEADHO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000264777406 278228855 /nfs/dbraw/zinc/22/88/55/278228855.db2.gz ORYPVLOZHHSLHP-HOTGVXAUSA-N 1 3 320.481 2.146 20 0 DEADHO C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000178868532 278304789 /nfs/dbraw/zinc/30/47/89/278304789.db2.gz FLJQAYAFSYNZDK-QAPCUYQASA-N 1 3 315.461 2.237 20 0 DEADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1cn2c(n1)CCCC2 ZINC000422835209 278311826 /nfs/dbraw/zinc/31/18/26/278311826.db2.gz PBGNOSJFKLCYNQ-CRAIPNDOSA-N 1 3 312.461 2.310 20 0 DEADHO C[C@@H](NC1CC[NH+](C2CCCCC2)CC1)[C@H](C)N1CCOCC1 ZINC000133968052 278335298 /nfs/dbraw/zinc/33/52/98/278335298.db2.gz DCQUGXKLUYZJGK-SJORKVTESA-N 1 3 323.525 2.482 20 0 DEADHO C[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@H](C)N1CCOCC1 ZINC000133968052 278335301 /nfs/dbraw/zinc/33/53/01/278335301.db2.gz DCQUGXKLUYZJGK-SJORKVTESA-N 1 3 323.525 2.482 20 0 DEADHO C[C@H]1CCN(C)CCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361508126 278366189 /nfs/dbraw/zinc/36/61/89/278366189.db2.gz IYJDSKHOCWTYHX-HOTGVXAUSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1CCN(C)CCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361508126 278366190 /nfs/dbraw/zinc/36/61/90/278366190.db2.gz IYJDSKHOCWTYHX-HOTGVXAUSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000458935392 278979613 /nfs/dbraw/zinc/97/96/13/278979613.db2.gz LYXASKGAJFJGNR-IRXDYDNUSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000305765858 288103351 /nfs/dbraw/zinc/10/33/51/288103351.db2.gz FHIRZEOEQNTEJN-PTGCCPEKSA-N 1 3 323.525 2.073 20 0 DEADHO CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000426087127 279091988 /nfs/dbraw/zinc/09/19/88/279091988.db2.gz COKJMEOBGAXFSH-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1[C@H](NC[C@H]2C[NH2+]CCCO2)CCCN1Cc1ccccc1 ZINC000423495242 279125486 /nfs/dbraw/zinc/12/54/86/279125486.db2.gz UFDHQILSSMTOOC-BHIYHBOVSA-N 1 3 317.477 2.008 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCc3c2cnn3C)C[C@@H](C)O1 ZINC000178041387 288161115 /nfs/dbraw/zinc/16/11/15/288161115.db2.gz UHXBCDGJNHLVCV-BFYDXBDKSA-N 1 3 320.481 2.277 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CCCCC1 ZINC000449702543 280146833 /nfs/dbraw/zinc/14/68/33/280146833.db2.gz SGKFAPDBRTUUJA-RCCFBDPRSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)[C@H](C(=O)N1CCN(C2CC2)C[C@H](C)C1)[NH+]1CCCCC1 ZINC000452567454 280151085 /nfs/dbraw/zinc/15/10/85/280151085.db2.gz DACVYCOFUAYKJA-FUHWJXTLSA-N 1 3 321.509 2.440 20 0 DEADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000418611949 281000493 /nfs/dbraw/zinc/00/04/93/281000493.db2.gz IHHGFXCUBLZYPI-HOTGVXAUSA-N 1 3 322.497 2.034 20 0 DEADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H](N)C3CCC3)C2)CC1 ZINC000423359332 281824796 /nfs/dbraw/zinc/82/47/96/281824796.db2.gz OWYLFYKSAHKWND-WBVHZDCISA-N 1 3 307.482 2.084 20 0 DEADHO CN(C)C(=O)[C@@H](c1ccccc1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357070309 281971133 /nfs/dbraw/zinc/97/11/33/281971133.db2.gz GDOIYQLHDKKWTI-ZWKOTPCHSA-N 1 3 315.461 2.137 20 0 DEADHO CCN1CC[C@H]([NH2+]C[C@@H](Cc2ccccc2)N(C)C)[C@H](C)C1 ZINC000132876505 282001791 /nfs/dbraw/zinc/00/17/91/282001791.db2.gz NTZBSPBLHHVJRG-QRQLOZEOSA-N 1 3 303.494 2.479 20 0 DEADHO CC[N@@H+]1CC[C@H](NC[C@@H](Cc2ccccc2)N(C)C)[C@H](C)C1 ZINC000132876505 282001795 /nfs/dbraw/zinc/00/17/95/282001795.db2.gz NTZBSPBLHHVJRG-QRQLOZEOSA-N 1 3 303.494 2.479 20 0 DEADHO CC[N@H+]1CC[C@H](NC[C@@H](Cc2ccccc2)N(C)C)[C@H](C)C1 ZINC000132876505 282001796 /nfs/dbraw/zinc/00/17/96/282001796.db2.gz NTZBSPBLHHVJRG-QRQLOZEOSA-N 1 3 303.494 2.479 20 0 DEADHO CN(C)[C@@H]1CCCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000116566501 289181808 /nfs/dbraw/zinc/18/18/08/289181808.db2.gz HZNWGTDZRIFGGN-CABCVRRESA-N 1 3 312.502 2.088 20 0 DEADHO C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)N1CCCCCC1 ZINC000247958983 289299813 /nfs/dbraw/zinc/29/98/13/289299813.db2.gz FYKSPJWSYHOFNO-IXDOHACOSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)N1CCCCCC1 ZINC000247958983 289299815 /nfs/dbraw/zinc/29/98/15/289299815.db2.gz FYKSPJWSYHOFNO-IXDOHACOSA-N 1 3 307.482 2.194 20 0 DEADHO CN1CCC2(CCCN2C(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000457706098 289902371 /nfs/dbraw/zinc/90/23/71/289902371.db2.gz IXVWTXDBJHBSQS-UHFFFAOYSA-N 1 3 319.493 2.338 20 0 DEADHO CN1CCO[C@H]([C@H](NCCCC[NH3+])c2ccc(Cl)cc2)C1 ZINC000423318822 290110031 /nfs/dbraw/zinc/11/00/31/290110031.db2.gz DTWNKEFSSXDEPI-JKSUJKDBSA-N 1 3 311.857 2.040 20 0 DEADHO CN1CC[C@]2(CCN(C(=O)NCC[NH2+]C3CCCCCC3)C2)C1 ZINC000418439896 290249015 /nfs/dbraw/zinc/24/90/15/290249015.db2.gz GLKUJQHXHBOVJJ-SFHVURJKSA-N 1 3 322.497 2.036 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)C[C@H]1CCCN1C ZINC000420785509 290385882 /nfs/dbraw/zinc/38/58/82/290385882.db2.gz UPTZVSQLPXIJCJ-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(C)C[C@H]1CCCN1C ZINC000420785509 290385889 /nfs/dbraw/zinc/38/58/89/290385889.db2.gz UPTZVSQLPXIJCJ-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO [NH3+]C1(CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CCC1 ZINC000417028542 295207571 /nfs/dbraw/zinc/20/75/71/295207571.db2.gz OKJRIOPWLKLDTF-INIZCTEOSA-N 1 3 316.449 2.004 20 0 DEADHO C[C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000356561500 298030067 /nfs/dbraw/zinc/03/00/67/298030067.db2.gz IRWKDPWTMZZEKC-YYIAUSFCSA-N 1 3 307.482 2.335 20 0 DEADHO C[C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000356561496 298038743 /nfs/dbraw/zinc/03/87/43/298038743.db2.gz IRWKDPWTMZZEKC-TWMKSMIVSA-N 1 3 307.482 2.335 20 0 DEADHO C[C@H](C(=O)NC1CCC(C)CC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357088785 298142282 /nfs/dbraw/zinc/14/22/82/298142282.db2.gz TWHIZVBUKCQHEB-CQDXFGNVSA-N 1 3 321.509 2.391 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCc1nc(C(C)(C)C)cs1 ZINC000422736499 299001137 /nfs/dbraw/zinc/00/11/37/299001137.db2.gz GHCYWOCEQVAOKK-YNEHKIRRSA-N 1 3 311.495 2.325 20 0 DEADHO C[C@H]1CN(C(=O)NCCCCC[NH+]2CCCCC2)[C@@H](C)CN1 ZINC000417711557 300142981 /nfs/dbraw/zinc/14/29/81/300142981.db2.gz QCXAWVKULXQQAD-HOTGVXAUSA-N 1 3 310.486 2.034 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000262557433 303479765 /nfs/dbraw/zinc/47/97/65/303479765.db2.gz UNHZYFMGNDJUMY-DLBZAZTESA-N 1 3 307.482 2.371 20 0 DEADHO CC(C)N1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000573134712 326027098 /nfs/dbraw/zinc/02/70/98/326027098.db2.gz QYEYRKVSLHGQHQ-UHFFFAOYSA-N 1 3 317.477 2.347 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCOCC(F)(F)F ZINC000573315692 326044342 /nfs/dbraw/zinc/04/43/42/326044342.db2.gz RWULYUVUKPTIKO-SNVBAGLBSA-N 1 3 305.344 2.468 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000575050548 326213365 /nfs/dbraw/zinc/21/33/65/326213365.db2.gz OQTBCQFNAZNZRC-OKZBNKHCSA-N 1 3 321.509 2.297 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000575050548 326213367 /nfs/dbraw/zinc/21/33/67/326213367.db2.gz OQTBCQFNAZNZRC-OKZBNKHCSA-N 1 3 321.509 2.297 20 0 DEADHO CCC[N@@H+]1CC[C@H](CNCCC(=O)Nc2ccc(C)cn2)C1 ZINC000576030439 326264137 /nfs/dbraw/zinc/26/41/37/326264137.db2.gz XSINSBXBMPXAIA-OAHLLOKOSA-N 1 3 304.438 2.040 20 0 DEADHO CCC[N@H+]1CC[C@H](CNCCC(=O)Nc2ccc(C)cn2)C1 ZINC000576030439 326264140 /nfs/dbraw/zinc/26/41/40/326264140.db2.gz XSINSBXBMPXAIA-OAHLLOKOSA-N 1 3 304.438 2.040 20 0 DEADHO CCCN1CC[C@H](C[NH2+]CCC(=O)Nc2ccc(C)cn2)C1 ZINC000576030439 326264141 /nfs/dbraw/zinc/26/41/41/326264141.db2.gz XSINSBXBMPXAIA-OAHLLOKOSA-N 1 3 304.438 2.040 20 0 DEADHO CN1CCN(CCCC[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000577052607 326338918 /nfs/dbraw/zinc/33/89/18/326338918.db2.gz HNBQPNSRWZLNCA-RBUKOAKNSA-N 1 3 301.478 2.407 20 0 DEADHO C[C@@H](C(=O)N(C)CC1CC[NH+](C)CC1)[C@@H](N)c1ccccc1 ZINC000388040555 333197644 /nfs/dbraw/zinc/19/76/44/333197644.db2.gz MUKGVVCQNOXGCE-RHSMWYFYSA-N 1 3 303.450 2.123 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388436095 333306223 /nfs/dbraw/zinc/30/62/23/333306223.db2.gz DDFZAFZXEOXQAJ-MSOLQXFVSA-N 1 3 317.477 2.340 20 0 DEADHO CN1CCC(Nc2ccccc2NC(=O)CCCC[NH3+])CC1 ZINC000583567280 335733625 /nfs/dbraw/zinc/73/36/25/335733625.db2.gz QHPJETDZFTZXQH-UHFFFAOYSA-N 1 3 304.438 2.260 20 0 DEADHO Cc1cccc(C(=O)NCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000583018708 337225538 /nfs/dbraw/zinc/22/55/38/337225538.db2.gz FJFUUMJTARYKRP-KZNAEPCWSA-N 1 3 315.461 2.235 20 0 DEADHO C[C@H](CC[NH2+]C[C@@H](O)COc1ccc(F)cc1)N1CCCCC1 ZINC000583020745 337225827 /nfs/dbraw/zinc/22/58/27/337225827.db2.gz WOEBKHSZQLPRIV-NVXWUHKLSA-N 1 3 324.440 2.420 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000583274761 337300281 /nfs/dbraw/zinc/30/02/81/337300281.db2.gz OMSHICYQLPWZIK-CQSZACIVSA-N 1 3 304.438 2.387 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000583751180 337329304 /nfs/dbraw/zinc/32/93/04/337329304.db2.gz HQCNFRIKEMXFCG-GJZGRUSLSA-N 1 3 318.465 2.076 20 0 DEADHO CC[C@@H](F)C[NH2+]CC1(NC(=O)[C@H](CC)N(C)C)CCCC1 ZINC001378361972 1152305128 /nfs/dbraw/zinc/30/51/28/1152305128.db2.gz GLXNIYDCLCPECM-KGLIPLIRSA-N 1 3 301.450 2.093 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]CCC(C)(C)C)C2)C1 ZINC001397636440 1160376800 /nfs/dbraw/zinc/37/68/00/1160376800.db2.gz VFDYBFWLMPCRNU-HRCADAONSA-N 1 3 309.498 2.249 20 0 DEADHO CN1CCC[C@@H]1C(=O)NCCC1CC[NH+](C/C=C/Cl)CC1 ZINC001378472217 1152341807 /nfs/dbraw/zinc/34/18/07/1152341807.db2.gz PPXZCDKKFOURJW-WEJQMCOXSA-N 1 3 313.873 2.051 20 0 DEADHO CCC(CC)C[NH+]1CC([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001378538718 1152368094 /nfs/dbraw/zinc/36/80/94/1152368094.db2.gz YJITUCNGWRVVLL-AWEZNQCLSA-N 1 3 309.498 2.343 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCOCc1ccccc1 ZINC001330022524 1149035887 /nfs/dbraw/zinc/03/58/87/1149035887.db2.gz URVOPHDYTKCBHM-KRWDZBQOSA-N 1 3 318.465 2.192 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)NC1CC[NH2+]CC1)c1ccccc1 ZINC000417712497 533784888 /nfs/dbraw/zinc/78/48/88/533784888.db2.gz XFCGWKYTPWAOMA-AWEZNQCLSA-N 1 3 318.465 2.167 20 0 DEADHO C[C@H](NC1CC1)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000295772157 533800662 /nfs/dbraw/zinc/80/06/62/533800662.db2.gz QWOGFUMSXKFTSI-AWEZNQCLSA-N 1 3 301.434 2.404 20 0 DEADHO COc1cc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])c2ccccc2n1 ZINC000423011128 533899538 /nfs/dbraw/zinc/89/95/38/533899538.db2.gz ZBURJYLUEZTETE-VBNZEHGJSA-N 1 3 315.417 2.085 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NCCCC[NH3+])CCN1Cc1ccccc1 ZINC000417837431 533926111 /nfs/dbraw/zinc/92/61/11/533926111.db2.gz MKEKHOUHEDXELK-NVXWUHKLSA-N 1 3 318.465 2.078 20 0 DEADHO C[C@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1ccc(OCCN(C)C)cc1 ZINC000295843551 534010561 /nfs/dbraw/zinc/01/05/61/534010561.db2.gz APYBTLLMSLSPBQ-UXLLHSPISA-N 1 3 306.450 2.439 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](C)CCCC[NH3+] ZINC000417973896 534027284 /nfs/dbraw/zinc/02/72/84/534027284.db2.gz CXCNFWGASTWSQN-JKSUJKDBSA-N 1 3 320.481 2.324 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)NCC(C)(C)[NH3+])N2CCCC2)cc1 ZINC000417359556 534219218 /nfs/dbraw/zinc/21/92/18/534219218.db2.gz WEIIAEVXZMQFOP-MRXNPFEDSA-N 1 3 318.465 2.168 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NC(C)(C)CC[NH3+])CCN1Cc1ccccc1 ZINC000422623550 534241771 /nfs/dbraw/zinc/24/17/71/534241771.db2.gz WMSGVBKFUUZRMD-ZBFHGGJFSA-N 1 3 318.465 2.076 20 0 DEADHO CC(C)N(C)c1ccc(CN2CCC(OCCC[NH3+])CC2)cn1 ZINC000339406250 519632621 /nfs/dbraw/zinc/63/26/21/519632621.db2.gz CRVTXHREOZBKLW-UHFFFAOYSA-N 1 3 320.481 2.256 20 0 DEADHO CC(C)[NH+]1CCC(N2CCN(CCC3CCOCC3)CC2)CC1 ZINC000336875330 519669946 /nfs/dbraw/zinc/66/99/46/519669946.db2.gz FJTRTRPSYWSZAQ-UHFFFAOYSA-N 1 3 323.525 2.294 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CCCCC[NH2+]2)cc1 ZINC000364468563 519840193 /nfs/dbraw/zinc/84/01/93/519840193.db2.gz RBIBWJGEYISUOO-SJORKVTESA-N 1 3 303.450 2.458 20 0 DEADHO CC[NH+](CC)CCCNC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000105073969 520612327 /nfs/dbraw/zinc/61/23/27/520612327.db2.gz YQAYMHAQXGGTKS-QGZVFWFLSA-N 1 3 324.513 2.378 20 0 DEADHO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000338472481 520731408 /nfs/dbraw/zinc/73/14/08/520731408.db2.gz YPGAGPAKFAQSNM-JKSUJKDBSA-N 1 3 312.502 2.136 20 0 DEADHO CCN1CCC(NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000339350071 521575315 /nfs/dbraw/zinc/57/53/15/521575315.db2.gz WGWNNSCFCWOOLY-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO CCN1CCC(NC(=O)NCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000339350071 521575320 /nfs/dbraw/zinc/57/53/20/521575320.db2.gz WGWNNSCFCWOOLY-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000111857028 521594439 /nfs/dbraw/zinc/59/44/39/521594439.db2.gz IAQVCBAOQHDMHA-DLBZAZTESA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000111857028 521594444 /nfs/dbraw/zinc/59/44/44/521594444.db2.gz IAQVCBAOQHDMHA-DLBZAZTESA-N 1 3 324.513 2.280 20 0 DEADHO C[NH+](C)[C@H](CNC(=O)CN1CCC(C)(C)C1)c1ccccc1 ZINC000158746194 522071440 /nfs/dbraw/zinc/07/14/40/522071440.db2.gz IBQQDUHFHDXUMY-MRXNPFEDSA-N 1 3 303.450 2.137 20 0 DEADHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000422849155 534711818 /nfs/dbraw/zinc/71/18/18/534711818.db2.gz URZBBKUMXKTWON-SJORKVTESA-N 1 3 310.401 2.303 20 0 DEADHO C[C@H]1CCC[C@@](CNC(=O)N(C)CCN2CCCC2)([NH+](C)C)C1 ZINC000112745378 524170638 /nfs/dbraw/zinc/17/06/38/524170638.db2.gz DPDSMXJLQWVRIP-FUHWJXTLSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCN1CCCCC1 ZINC000338260409 524634536 /nfs/dbraw/zinc/63/45/36/524634536.db2.gz JJRBFCZBJMXEOL-BBWFWOEESA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCN1CCCCC1 ZINC000338260409 524634544 /nfs/dbraw/zinc/63/45/44/524634544.db2.gz JJRBFCZBJMXEOL-BBWFWOEESA-N 1 3 324.513 2.138 20 0 DEADHO Cn1cccc1C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000161722013 527399297 /nfs/dbraw/zinc/39/92/97/527399297.db2.gz NHCLINSYGVBWPI-UHFFFAOYSA-N 1 3 312.461 2.062 20 0 DEADHO CC(C)(C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)[C@H](N)c1ccccc1 ZINC000331369587 527507589 /nfs/dbraw/zinc/50/75/89/527507589.db2.gz BEQCZBKQOXWERJ-VQIMIIECSA-N 1 3 315.461 2.315 20 0 DEADHO CCCC(=O)Nc1ccc(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000422881396 527960628 /nfs/dbraw/zinc/96/06/28/527960628.db2.gz NMKZDMYGVNKVPB-XOKHGSTOSA-N 1 3 319.449 2.267 20 0 DEADHO CC(C)O[C@@H]1C[C@H](N[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1(C)C ZINC000423052993 528066910 /nfs/dbraw/zinc/06/69/10/528066910.db2.gz RSTRFPTTZPDRAH-OVYGPGRDSA-N 1 3 310.482 2.325 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)NC1CC1)c1ccccc1 ZINC000294831339 528242450 /nfs/dbraw/zinc/24/24/50/528242450.db2.gz SGZSEDORPRCFNE-YOEHRIQHSA-N 1 3 303.450 2.326 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418245536 528313808 /nfs/dbraw/zinc/31/38/08/528313808.db2.gz YIOFVTDTJBVKQQ-BBWFWOEESA-N 1 3 324.513 2.184 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCC(C)(C)[NH3+] ZINC000418415812 528778958 /nfs/dbraw/zinc/77/89/58/528778958.db2.gz OYYFNYXWSSKKTO-UHFFFAOYSA-N 1 3 306.454 2.017 20 0 DEADHO CC1(C)CCCN(CCNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000444842734 528935139 /nfs/dbraw/zinc/93/51/39/528935139.db2.gz AJSBIMLUCGBYLO-HOTGVXAUSA-N 1 3 322.497 2.034 20 0 DEADHO CC1(C)CCCN(CCNC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000444842734 528935142 /nfs/dbraw/zinc/93/51/42/528935142.db2.gz AJSBIMLUCGBYLO-HOTGVXAUSA-N 1 3 322.497 2.034 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000417755038 528963785 /nfs/dbraw/zinc/96/37/85/528963785.db2.gz WNBXBBXFZWDONH-KRWDZBQOSA-N 1 3 318.465 2.108 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000433139167 528992214 /nfs/dbraw/zinc/99/22/14/528992214.db2.gz WAOWCOOVHFSOPX-KBPBESRZSA-N 1 3 309.479 2.232 20 0 DEADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000418095646 529043004 /nfs/dbraw/zinc/04/30/04/529043004.db2.gz HFIWOVZXVDWMKF-CABCVRRESA-N 1 3 312.502 2.122 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)NC(C)(C)CC[NH3+])c1ccco1 ZINC000422624586 529182038 /nfs/dbraw/zinc/18/20/38/529182038.db2.gz ZZJMXGNRBPIZLU-STQMWFEESA-N 1 3 310.442 2.135 20 0 DEADHO CC[C@@H](NCc1ccncc1OCCN(C)C)[C@@H]1CCCC[NH2+]1 ZINC000423121470 529188032 /nfs/dbraw/zinc/18/80/32/529188032.db2.gz IJWMHOFQEXALFU-SJORKVTESA-N 1 3 320.481 2.032 20 0 DEADHO CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H](C)C[C@@H]2COCCN2)C1 ZINC000422907908 529297782 /nfs/dbraw/zinc/29/77/82/529297782.db2.gz LTJSBMJJUYUCPA-GVDBMIGSSA-N 1 3 311.514 2.244 20 0 DEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H](C)C[C@@H]2COCCN2)C1 ZINC000422907908 529297785 /nfs/dbraw/zinc/29/77/85/529297785.db2.gz LTJSBMJJUYUCPA-GVDBMIGSSA-N 1 3 311.514 2.244 20 0 DEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H](C)C[C@@H]2COCCN2)C1 ZINC000422907908 529297787 /nfs/dbraw/zinc/29/77/87/529297787.db2.gz LTJSBMJJUYUCPA-GVDBMIGSSA-N 1 3 311.514 2.244 20 0 DEADHO CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@H](C)C[C@@H]2COCCN2)C1 ZINC000422907907 529297833 /nfs/dbraw/zinc/29/78/33/529297833.db2.gz LTJSBMJJUYUCPA-BRWVUGGUSA-N 1 3 311.514 2.244 20 0 DEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H](C)C[C@@H]2COCCN2)C1 ZINC000422907907 529297834 /nfs/dbraw/zinc/29/78/34/529297834.db2.gz LTJSBMJJUYUCPA-BRWVUGGUSA-N 1 3 311.514 2.244 20 0 DEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@H](C)C[C@@H]2COCCN2)C1 ZINC000422907907 529297837 /nfs/dbraw/zinc/29/78/37/529297837.db2.gz LTJSBMJJUYUCPA-BRWVUGGUSA-N 1 3 311.514 2.244 20 0 DEADHO CCN1CCN(CCC[NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000348264333 535697963 /nfs/dbraw/zinc/69/79/63/535697963.db2.gz UNKYZJFKGDDDQI-MOPGFXCFSA-N 1 3 301.478 2.407 20 0 DEADHO CN(C)Cc1cccc(CNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000377806879 536032985 /nfs/dbraw/zinc/03/29/85/536032985.db2.gz KOQNVAUUOKCLHW-ZWKOTPCHSA-N 1 3 315.461 2.000 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccco1 ZINC000359550923 536173380 /nfs/dbraw/zinc/17/33/80/536173380.db2.gz YVXHUXCWERUIDC-DZKIICNBSA-N 1 3 309.454 2.411 20 0 DEADHO CO[C@@]1(C[NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)CCOC1 ZINC000359416173 536834674 /nfs/dbraw/zinc/83/46/74/536834674.db2.gz JBSYXXYCZOBETB-MAUKXSAKSA-N 1 3 322.449 2.083 20 0 DEADHO C[C@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]CCc1ccccc1 ZINC001379224370 1152593203 /nfs/dbraw/zinc/59/32/03/1152593203.db2.gz RQGXDSCLDWTSHG-IAGOWNOFSA-N 1 3 317.477 2.007 20 0 DEADHO CC(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001368792761 1148664441 /nfs/dbraw/zinc/66/44/41/1148664441.db2.gz AGMSPPGEMFGITI-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001368792761 1148664447 /nfs/dbraw/zinc/66/44/47/1148664447.db2.gz AGMSPPGEMFGITI-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CCNC(=O)c1ccc(CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925545800 625306699 /nfs/dbraw/zinc/30/66/99/625306699.db2.gz CHGPJPDGLSHMTR-HOTGVXAUSA-N 1 3 303.450 2.432 20 0 DEADHO COc1ccc2nccc(N3CC[N@H+](C[C@@H](C)O)C[C@@H]3C)c2c1 ZINC000893258360 625323452 /nfs/dbraw/zinc/32/34/52/625323452.db2.gz FWLXJOXCHILJBJ-UONOGXRCSA-N 1 3 315.417 2.135 20 0 DEADHO COc1ccc2nccc(N3CC[N@@H+](C[C@@H](C)O)C[C@@H]3C)c2c1 ZINC000893258360 625323455 /nfs/dbraw/zinc/32/34/55/625323455.db2.gz FWLXJOXCHILJBJ-UONOGXRCSA-N 1 3 315.417 2.135 20 0 DEADHO COc1ccc(C[C@H](C)N[C@@H]2C[C@H]([NH3+])C23CCC3)cc1OC ZINC000925575222 625398669 /nfs/dbraw/zinc/39/86/69/625398669.db2.gz REHUESUMIVSOJJ-AFAVFJNCSA-N 1 3 304.434 2.494 20 0 DEADHO CC(C)[N@H+](C)Cc1cccc(CNC2CC(S(C)(=O)=O)C2)c1 ZINC000892695887 625406661 /nfs/dbraw/zinc/40/66/61/625406661.db2.gz DOCVFAWZNMCYLV-UHFFFAOYSA-N 1 3 324.490 2.192 20 0 DEADHO CC(C)[N@@H+](C)Cc1cccc(CNC2CC(S(C)(=O)=O)C2)c1 ZINC000892695887 625406662 /nfs/dbraw/zinc/40/66/62/625406662.db2.gz DOCVFAWZNMCYLV-UHFFFAOYSA-N 1 3 324.490 2.192 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]CC2CCCC2)C1)N(C)C ZINC001024039599 625555741 /nfs/dbraw/zinc/55/57/41/625555741.db2.gz ZNHYKBHQKBZDQS-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[C@@H](N)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309756686 625557015 /nfs/dbraw/zinc/55/70/15/625557015.db2.gz CDTCBKIYYKSLMA-BPQIPLTHSA-N 1 3 317.477 2.387 20 0 DEADHO CC(C)C[C@@H](N)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309756686 625557022 /nfs/dbraw/zinc/55/70/22/625557022.db2.gz CDTCBKIYYKSLMA-BPQIPLTHSA-N 1 3 317.477 2.387 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCC2)C1 ZINC000969792097 622922842 /nfs/dbraw/zinc/92/28/42/622922842.db2.gz HDEAXERXABJWBT-YOEHRIQHSA-N 1 3 307.482 2.097 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCC2)C1 ZINC000969792095 622923314 /nfs/dbraw/zinc/92/33/14/622923314.db2.gz HDEAXERXABJWBT-WMLDXEAASA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCC2)C1 ZINC001021090876 623336698 /nfs/dbraw/zinc/33/66/98/623336698.db2.gz MSSBWDLPRVYMMV-MUIFIZLQSA-N 1 3 307.482 2.286 20 0 DEADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000179420554 625645675 /nfs/dbraw/zinc/64/56/75/625645675.db2.gz VXJQUFNIEDOPST-CABCVRRESA-N 1 3 311.470 2.317 20 0 DEADHO CN1CCC[C@H]1CC[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000179420554 625645681 /nfs/dbraw/zinc/64/56/81/625645681.db2.gz VXJQUFNIEDOPST-CABCVRRESA-N 1 3 311.470 2.317 20 0 DEADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000970717957 623639883 /nfs/dbraw/zinc/63/98/83/623639883.db2.gz PQPWLAYIIACDCD-QGZVFWFLSA-N 1 3 307.482 2.243 20 0 DEADHO CC1(C)CCC(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)CC1 ZINC000970717168 623640301 /nfs/dbraw/zinc/64/03/01/623640301.db2.gz JLZVKPPFGSUCSX-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021670778 623930590 /nfs/dbraw/zinc/93/05/90/623930590.db2.gz OMGFZKIJTXUHKQ-JKSUJKDBSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021670778 623930601 /nfs/dbraw/zinc/93/06/01/623930601.db2.gz OMGFZKIJTXUHKQ-JKSUJKDBSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021670776 623931110 /nfs/dbraw/zinc/93/11/10/623931110.db2.gz OMGFZKIJTXUHKQ-HOTGVXAUSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021670776 623931114 /nfs/dbraw/zinc/93/11/14/623931114.db2.gz OMGFZKIJTXUHKQ-HOTGVXAUSA-N 1 3 307.482 2.051 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC2=CCCCC2)C1 ZINC000971204918 624069851 /nfs/dbraw/zinc/06/98/51/624069851.db2.gz QWYZHTCKQCOWEV-SJORKVTESA-N 1 3 305.466 2.114 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC000971204918 624069853 /nfs/dbraw/zinc/06/98/53/624069853.db2.gz QWYZHTCKQCOWEV-SJORKVTESA-N 1 3 305.466 2.114 20 0 DEADHO CC(C)[C@@H](CNc1cc(N)[nH+]cc1Cl)N1CCN(C)CC1 ZINC000891681472 624530901 /nfs/dbraw/zinc/53/09/01/624530901.db2.gz USJRLSLZPAEXQZ-CQSZACIVSA-N 1 3 311.861 2.001 20 0 DEADHO C[C@H](NC(=O)NCCC(C)(C)[NH3+])[C@@H](c1ccccc1)N(C)C ZINC000891894298 624649385 /nfs/dbraw/zinc/64/93/85/624649385.db2.gz FJSIQVGQQJTHEH-ZFWWWQNUSA-N 1 3 306.454 2.104 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CCc2cccs2)C1 ZINC001022712206 624864276 /nfs/dbraw/zinc/86/42/76/624864276.db2.gz MAWKAJAWFNJLKT-SOUVJXGZSA-N 1 3 321.490 2.012 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CC3CCCCC3)C2)C1 ZINC000972336560 624933554 /nfs/dbraw/zinc/93/35/54/624933554.db2.gz YIXGQKYRSNXALK-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CC3CCCCC3)C2)C1 ZINC000972336560 624933556 /nfs/dbraw/zinc/93/35/56/624933556.db2.gz YIXGQKYRSNXALK-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CC3CCCCC3)C2)C1 ZINC000972336562 624933602 /nfs/dbraw/zinc/93/36/02/624933602.db2.gz YIXGQKYRSNXALK-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CC3CCCCC3)C2)C1 ZINC000972336562 624933603 /nfs/dbraw/zinc/93/36/03/624933603.db2.gz YIXGQKYRSNXALK-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CC2CC2)C1 ZINC000972484262 625118421 /nfs/dbraw/zinc/11/84/21/625118421.db2.gz AYXVXLAHAYWGQP-DLBZAZTESA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CC2CC2)C1 ZINC000972484262 625118424 /nfs/dbraw/zinc/11/84/24/625118424.db2.gz AYXVXLAHAYWGQP-DLBZAZTESA-N 1 3 307.482 2.192 20 0 DEADHO CN(C)[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC1)C1CC1 ZINC001024984141 625127275 /nfs/dbraw/zinc/12/72/75/625127275.db2.gz DIEFILBJXFJLPY-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC001026148596 625155807 /nfs/dbraw/zinc/15/58/07/625155807.db2.gz RLOWGAVTMAILAB-NDVMQCNYSA-N 1 3 321.509 2.342 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001026148596 625155809 /nfs/dbraw/zinc/15/58/09/625155809.db2.gz RLOWGAVTMAILAB-NDVMQCNYSA-N 1 3 321.509 2.342 20 0 DEADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)NCCCCCCC[NH+](C)C ZINC000892339960 625164563 /nfs/dbraw/zinc/16/45/63/625164563.db2.gz KEBWQCYVOJIEJY-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCCF)C1 ZINC001023404513 625256375 /nfs/dbraw/zinc/25/63/75/625256375.db2.gz UQFYABCTNIDOTN-CVEARBPZSA-N 1 3 313.461 2.049 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCCF)C1 ZINC001023404513 625256376 /nfs/dbraw/zinc/25/63/76/625256376.db2.gz UQFYABCTNIDOTN-CVEARBPZSA-N 1 3 313.461 2.049 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCCF ZINC001024436279 625763524 /nfs/dbraw/zinc/76/35/24/625763524.db2.gz BBXSBNOHXKXHQU-CVEARBPZSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCCF ZINC001024436279 625763529 /nfs/dbraw/zinc/76/35/29/625763529.db2.gz BBXSBNOHXKXHQU-CVEARBPZSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N(C)[C@@H]1CCCN(C)C1)C(C)C ZINC000893370328 625768677 /nfs/dbraw/zinc/76/86/77/625768677.db2.gz KXTWTQOIMVUACX-MRXNPFEDSA-N 1 3 312.502 2.231 20 0 DEADHO CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1CC(C)C ZINC001024523002 625836965 /nfs/dbraw/zinc/83/69/65/625836965.db2.gz LTBUBPSZQYGJNY-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1CC(C)C ZINC001024523002 625836968 /nfs/dbraw/zinc/83/69/68/625836968.db2.gz LTBUBPSZQYGJNY-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CN(CC(=O)N1CCC[C@H]([NH2+]CC2CC(C)(C)C2)C1)C1CCC1 ZINC000999381330 634575518 /nfs/dbraw/zinc/57/55/18/634575518.db2.gz ZAVGWFXZXWDECL-INIZCTEOSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CC2CCCCC2)C1)C1CC1 ZINC000999372030 634578354 /nfs/dbraw/zinc/57/83/54/634578354.db2.gz NVPNBABFDJDVGG-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N(C)C1CC([NH2+]CC2CCCC2)C1 ZINC000999407454 634586120 /nfs/dbraw/zinc/58/61/20/634586120.db2.gz VJBWQHNUJGFJDZ-ODIFPOPNSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001000202086 634788656 /nfs/dbraw/zinc/78/86/56/634788656.db2.gz TURHQSSITGXDHS-RDJZCZTQSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@H]([NH2+]CC2CCC2)C(C)(C)C1)N(C)C ZINC000995924707 633141323 /nfs/dbraw/zinc/14/13/23/633141323.db2.gz JDXRDLFIJALRKG-HOTGVXAUSA-N 1 3 309.498 2.199 20 0 DEADHO C[C@H](CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000925701976 633173504 /nfs/dbraw/zinc/17/35/04/633173504.db2.gz IUSXEAJQQJSGOH-VYDRJQSISA-N 1 3 323.525 2.242 20 0 DEADHO CCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)CC1(C)C ZINC000996379070 633250629 /nfs/dbraw/zinc/25/06/29/633250629.db2.gz JYFHNHYMRIZLBI-HOTGVXAUSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H](C(=O)N1C[C@H]([NH2+]CC2CC2)C(C)(C)C1)N1CCCCCC1 ZINC000996381355 633251261 /nfs/dbraw/zinc/25/12/61/633251261.db2.gz UVMZIUQQNKIEIV-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001026916093 633262328 /nfs/dbraw/zinc/26/23/28/633262328.db2.gz AHAXKUMYDZBWRO-NVXWUHKLSA-N 1 3 321.440 2.104 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1C[N@H+](CC2CC2)CC1(C)C ZINC000974760310 633284736 /nfs/dbraw/zinc/28/47/36/633284736.db2.gz QGPFOKPGFQMIPR-SJORKVTESA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1C[N@@H+](CC2CC2)CC1(C)C ZINC000974760310 633284741 /nfs/dbraw/zinc/28/47/41/633284741.db2.gz QGPFOKPGFQMIPR-SJORKVTESA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[N@@H+]1C[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974864780 633339683 /nfs/dbraw/zinc/33/96/83/633339683.db2.gz RDRJYSNVOVLFSP-JKSUJKDBSA-N 1 3 307.482 2.096 20 0 DEADHO CC(C)[N@H+]1C[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974864780 633339684 /nfs/dbraw/zinc/33/96/84/633339684.db2.gz RDRJYSNVOVLFSP-JKSUJKDBSA-N 1 3 307.482 2.096 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC[C@@H](C[NH2+]CC3CCCC3)C2)C1 ZINC001027063441 633385570 /nfs/dbraw/zinc/38/55/70/633385570.db2.gz LHTZGLOBTOMIHX-KRWDZBQOSA-N 1 3 321.509 2.347 20 0 DEADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001027217673 633500403 /nfs/dbraw/zinc/50/04/03/633500403.db2.gz NOSWOUQDILGCAP-SFHVURJKSA-N 1 3 321.509 2.491 20 0 DEADHO C[C@H]([NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1)c1ccccc1 ZINC000997034770 633562824 /nfs/dbraw/zinc/56/28/24/633562824.db2.gz FNLYDHMCZBFPEU-AWEZNQCLSA-N 1 3 312.417 2.294 20 0 DEADHO O=C(CN1CCCC1)N1CCC([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000997303289 633704007 /nfs/dbraw/zinc/70/40/07/633704007.db2.gz SPWPGEKDWYYCDO-IXDOHACOSA-N 1 3 319.493 2.099 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]CC2CC(C)C2)CC1 ZINC000997366642 633716592 /nfs/dbraw/zinc/71/65/92/633716592.db2.gz IFBWKUKDCVEEAT-HTWSVDAQSA-N 1 3 321.509 2.488 20 0 DEADHO CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2CN(C)C)C(C)(C)C1 ZINC000977622133 634074960 /nfs/dbraw/zinc/07/49/60/634074960.db2.gz PBRAVHSXLRCCCD-MRXNPFEDSA-N 1 3 303.450 2.208 20 0 DEADHO CC[N@H+]1C[C@@H](NC(=O)c2ccccc2CN(C)C)C(C)(C)C1 ZINC000977622133 634074967 /nfs/dbraw/zinc/07/49/67/634074967.db2.gz PBRAVHSXLRCCCD-MRXNPFEDSA-N 1 3 303.450 2.208 20 0 DEADHO CC1CC(C[NH2+]CC2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC000998081562 634134052 /nfs/dbraw/zinc/13/40/52/634134052.db2.gz JMLLZAXNVDNCGT-KLHKWILBSA-N 1 3 321.509 2.203 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([N@H+](C)CC3CCC3)C2)C1 ZINC001027576345 634184002 /nfs/dbraw/zinc/18/40/02/634184002.db2.gz NHWGXPRMOXFYCU-DOTOQJQBSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([N@@H+](C)CC3CCC3)C2)C1 ZINC001027576345 634184008 /nfs/dbraw/zinc/18/40/08/634184008.db2.gz NHWGXPRMOXFYCU-DOTOQJQBSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[N@H+](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000980473257 635013686 /nfs/dbraw/zinc/01/36/86/635013686.db2.gz ZUUIPCDNRKJPKD-KRWDZBQOSA-N 1 3 303.450 2.303 20 0 DEADHO CC(C)[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000980473257 635013690 /nfs/dbraw/zinc/01/36/90/635013690.db2.gz ZUUIPCDNRKJPKD-KRWDZBQOSA-N 1 3 303.450 2.303 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001000314469 635143313 /nfs/dbraw/zinc/14/33/13/635143313.db2.gz XLBKOXJWMOSCOP-OAHLLOKOSA-N 1 3 316.449 2.113 20 0 DEADHO C[N@H+](CCCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC000837227268 650177267 /nfs/dbraw/zinc/17/72/67/650177267.db2.gz RQMIFKDJLSNCLQ-KRWDZBQOSA-N 1 3 313.461 2.190 20 0 DEADHO C[N@@H+](CCCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC000837227268 650177269 /nfs/dbraw/zinc/17/72/69/650177269.db2.gz RQMIFKDJLSNCLQ-KRWDZBQOSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H](NCCF)C1)[NH+]1CCCCC1 ZINC001001009782 635378137 /nfs/dbraw/zinc/37/81/37/635378137.db2.gz QPJMEDAVCWUVRJ-HOTGVXAUSA-N 1 3 313.461 2.047 20 0 DEADHO CCC[N@H+]1CC=C(CNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001001230097 635432017 /nfs/dbraw/zinc/43/20/17/635432017.db2.gz RAOSFWHXYKDOMT-QGZVFWFLSA-N 1 3 307.482 2.408 20 0 DEADHO CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001001230097 635432021 /nfs/dbraw/zinc/43/20/21/635432021.db2.gz RAOSFWHXYKDOMT-QGZVFWFLSA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCCN(CCCF)CC1 ZINC000981332358 635438416 /nfs/dbraw/zinc/43/84/16/635438416.db2.gz VAZQGOPGECKAFB-INIZCTEOSA-N 1 3 313.461 2.143 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCCN(CCCF)CC1 ZINC000981332358 635438418 /nfs/dbraw/zinc/43/84/18/635438418.db2.gz VAZQGOPGECKAFB-INIZCTEOSA-N 1 3 313.461 2.143 20 0 DEADHO C[C@H](NC(=O)N[C@@H]1CCN(C)[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000921879663 635664516 /nfs/dbraw/zinc/66/45/16/635664516.db2.gz RDCMCXWALCTPIA-QBYUYEEZSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@H](NC(=O)N[C@@H]1CCN(C)[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000921879663 635664517 /nfs/dbraw/zinc/66/45/17/635664517.db2.gz RDCMCXWALCTPIA-QBYUYEEZSA-N 1 3 322.497 2.031 20 0 DEADHO CC(C)=CC[N@H+]1CCCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000981809934 635665593 /nfs/dbraw/zinc/66/55/93/635665593.db2.gz IXRBZRKSLKYGAB-UHFFFAOYSA-N 1 3 319.493 2.361 20 0 DEADHO CC(C)=CC[N@@H+]1CCCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000981809934 635665596 /nfs/dbraw/zinc/66/55/96/635665596.db2.gz IXRBZRKSLKYGAB-UHFFFAOYSA-N 1 3 319.493 2.361 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@H+](CCC(C)C)C2)N(C)C ZINC000982018859 635815072 /nfs/dbraw/zinc/81/50/72/635815072.db2.gz LGBZLLPANPJVBV-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](CCC(C)C)C2)N(C)C ZINC000982018859 635815074 /nfs/dbraw/zinc/81/50/74/635815074.db2.gz LGBZLLPANPJVBV-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC1CC[NH+](CC[C@@H](C)F)CC1 ZINC001002956099 635860089 /nfs/dbraw/zinc/86/00/89/635860089.db2.gz QYSIGGMNSAHTGQ-GDBMZVCRSA-N 1 3 313.461 2.190 20 0 DEADHO COC(=O)c1ccc(CNCC[C@@H]2CCC[N@H+](C)C2)c(F)c1 ZINC000922181684 635973132 /nfs/dbraw/zinc/97/31/32/635973132.db2.gz XIMJFEUFOWJJKX-ZDUSSCGKSA-N 1 3 308.397 2.434 20 0 DEADHO COC(=O)c1ccc(CNCC[C@@H]2CCC[N@@H+](C)C2)c(F)c1 ZINC000922181684 635973135 /nfs/dbraw/zinc/97/31/35/635973135.db2.gz XIMJFEUFOWJJKX-ZDUSSCGKSA-N 1 3 308.397 2.434 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1CC[NH+](CCC(C)(C)C)CC1 ZINC001004052292 636131436 /nfs/dbraw/zinc/13/14/36/636131436.db2.gz GRPKHXHHYVCMRJ-UHFFFAOYSA-N 1 3 306.454 2.277 20 0 DEADHO CCc1ncc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)s1 ZINC000922388283 636142064 /nfs/dbraw/zinc/14/20/64/636142064.db2.gz OPDVPSHAGNODJM-JHNDHUHGSA-N 1 3 323.506 2.275 20 0 DEADHO CCc1ncc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)s1 ZINC000922388283 636142065 /nfs/dbraw/zinc/14/20/65/636142065.db2.gz OPDVPSHAGNODJM-JHNDHUHGSA-N 1 3 323.506 2.275 20 0 DEADHO Cc1cc(CN[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)sn1 ZINC000922391665 636153961 /nfs/dbraw/zinc/15/39/61/636153961.db2.gz XYASLAUIJUAEIM-KLHDSHLOSA-N 1 3 309.479 2.021 20 0 DEADHO Cc1cc(CN[C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)sn1 ZINC000922391665 636153965 /nfs/dbraw/zinc/15/39/65/636153965.db2.gz XYASLAUIJUAEIM-KLHDSHLOSA-N 1 3 309.479 2.021 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(C)s3)C2)[C@H]1C(C)C ZINC000922394445 636155265 /nfs/dbraw/zinc/15/52/65/636155265.db2.gz WIHXZFVAFUXEOJ-QBPKDAKJSA-N 1 3 323.506 2.411 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(C)s3)C2)[C@H]1C(C)C ZINC000922394445 636155267 /nfs/dbraw/zinc/15/52/67/636155267.db2.gz WIHXZFVAFUXEOJ-QBPKDAKJSA-N 1 3 323.506 2.411 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1C[C@]2(C)C[N@H+](CC3CC3)C[C@]2(C)C1 ZINC000982553682 636261963 /nfs/dbraw/zinc/26/19/63/636261963.db2.gz OLDYDDZFXZPHSO-LZQZEXGQSA-N 1 3 319.493 2.051 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1C[C@]2(C)C[N@@H+](CC3CC3)C[C@]2(C)C1 ZINC000982553682 636261967 /nfs/dbraw/zinc/26/19/67/636261967.db2.gz OLDYDDZFXZPHSO-LZQZEXGQSA-N 1 3 319.493 2.051 20 0 DEADHO CC[C@@H](C(=O)N1C[C@]2(C)C[N@H+](CCC3CC3)C[C@]2(C)C1)N(C)C ZINC000982560260 636265358 /nfs/dbraw/zinc/26/53/58/636265358.db2.gz GEMKAQBUPSPWRD-YTQUADARSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@@H](C(=O)N1C[C@]2(C)C[N@@H+](CCC3CC3)C[C@]2(C)C1)N(C)C ZINC000982560260 636265360 /nfs/dbraw/zinc/26/53/60/636265360.db2.gz GEMKAQBUPSPWRD-YTQUADARSA-N 1 3 321.509 2.297 20 0 DEADHO C[N@@H+]1CC[C@@H](NC[C@H]2CCCN2CC(F)(F)F)CC1(C)C ZINC000922705146 636337319 /nfs/dbraw/zinc/33/73/19/636337319.db2.gz FDPVGPMUGOORAL-CHWSQXEVSA-N 1 3 307.404 2.476 20 0 DEADHO C[N@H+]1CC[C@@H](NC[C@H]2CCCN2CC(F)(F)F)CC1(C)C ZINC000922705146 636337323 /nfs/dbraw/zinc/33/73/23/636337323.db2.gz FDPVGPMUGOORAL-CHWSQXEVSA-N 1 3 307.404 2.476 20 0 DEADHO CCc1noc([C@@H]2CC[C@H](N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)n1 ZINC000922866479 636447194 /nfs/dbraw/zinc/44/71/94/636447194.db2.gz NOYLKJNWPHSQEW-CBBWQLFWSA-N 1 3 304.438 2.485 20 0 DEADHO CCc1noc([C@@H]2CC[C@H](N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)n1 ZINC000922866479 636447200 /nfs/dbraw/zinc/44/72/00/636447200.db2.gz NOYLKJNWPHSQEW-CBBWQLFWSA-N 1 3 304.438 2.485 20 0 DEADHO CC1CC(C[NH+]2CCC(N(C)C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001005181833 636685291 /nfs/dbraw/zinc/68/52/91/636685291.db2.gz AQXNQTZSZCSSFA-VMBOVVBDSA-N 1 3 307.482 2.050 20 0 DEADHO C[C@H]([NH2+]CC1CCCC1)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001029065921 637025183 /nfs/dbraw/zinc/02/51/83/637025183.db2.gz NBKYKRZOOZRVBU-YJBOKZPZSA-N 1 3 321.509 2.488 20 0 DEADHO CC1CC(C[NH+]2CCC(N(C)C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001005991472 637046468 /nfs/dbraw/zinc/04/64/68/637046468.db2.gz MTYPDIUPKYTXSG-GTPINHCMSA-N 1 3 321.509 2.297 20 0 DEADHO CC[N@H+](CCCN1CCCC1)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894471597 637058780 /nfs/dbraw/zinc/05/87/80/637058780.db2.gz LJCGMFBDXZWMCW-JKSUJKDBSA-N 1 3 314.445 2.428 20 0 DEADHO CC[N@@H+](CCCN1CCCC1)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894471597 637058786 /nfs/dbraw/zinc/05/87/86/637058786.db2.gz LJCGMFBDXZWMCW-JKSUJKDBSA-N 1 3 314.445 2.428 20 0 DEADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC[NH+](CCCF)CC1 ZINC001006002493 637062272 /nfs/dbraw/zinc/06/22/72/637062272.db2.gz XFOWJWWAHZZSDX-UHFFFAOYSA-N 1 3 313.461 2.001 20 0 DEADHO [NH3+]C[C@@H]1CCCN(C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000923282401 637083069 /nfs/dbraw/zinc/08/30/69/637083069.db2.gz VJHXFNAYJPVMNV-DZGCQCFKSA-N 1 3 316.367 2.280 20 0 DEADHO Cc1ccc(Cl)c(OC[C@H](O)CN[C@@](C)(C[NH3+])C(C)C)c1 ZINC000923300619 637099865 /nfs/dbraw/zinc/09/98/65/637099865.db2.gz XSJMTOJDOCMOGQ-CJNGLKHVSA-N 1 3 314.857 2.351 20 0 DEADHO Fc1ccc(CN2CCCN(CCC[NH2+]C3CC3)CC2)cc1 ZINC000923319409 637109228 /nfs/dbraw/zinc/10/92/28/637109228.db2.gz MVFXIXUFPVSGCF-UHFFFAOYSA-N 1 3 305.441 2.476 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1C ZINC000923333106 637120051 /nfs/dbraw/zinc/12/00/51/637120051.db2.gz OTXFROSYEHBRMF-MLHJIOFPSA-N 1 3 318.461 2.021 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCN(C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000923331621 637124949 /nfs/dbraw/zinc/12/49/49/637124949.db2.gz NHFOQGQLFSZPJX-FPMFFAJLSA-N 1 3 316.367 2.278 20 0 DEADHO CN(C(=O)Cc1c[nH]cn1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001006061252 637134205 /nfs/dbraw/zinc/13/42/05/637134205.db2.gz SSTLZGSVOKGZGI-UHFFFAOYSA-N 1 3 306.454 2.311 20 0 DEADHO N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC000923381467 637148693 /nfs/dbraw/zinc/14/86/93/637148693.db2.gz IVLCWFKTKQBHCX-CGTJXYLNSA-N 1 3 314.429 2.439 20 0 DEADHO CCc1onc(C)c1CN1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000923391907 637153619 /nfs/dbraw/zinc/15/36/19/637153619.db2.gz GQWFPWLUQJRTHL-LXZKKBNFSA-N 1 3 307.438 2.406 20 0 DEADHO COc1ccc([C@@H]2CCCN2C[C@@H]2CC3(C[NH2+]C3)CO2)cc1F ZINC000923392485 637154209 /nfs/dbraw/zinc/15/42/09/637154209.db2.gz WTFAAHRNVCASFW-HOCLYGCPSA-N 1 3 320.408 2.350 20 0 DEADHO CCOc1ccc(NC(=O)[C@@H](C)N2CC[C@@H](CC[NH3+])C2)cc1 ZINC000923489522 637208854 /nfs/dbraw/zinc/20/88/54/637208854.db2.gz YHZLDKVABKUOAD-ZIAGYGMSSA-N 1 3 305.422 2.083 20 0 DEADHO Cc1ccc(N2CC[C@H](N3CC[C@H](C[NH3+])[C@H](C)C3)C2=O)cc1 ZINC000923498468 637214726 /nfs/dbraw/zinc/21/47/26/637214726.db2.gz PRBVVICEENMKCB-INMHGKMJSA-N 1 3 301.434 2.017 20 0 DEADHO C[C@@H]1CN(CC(=O)N[C@@H](c2ccccc2)C2CC2)CC[C@@H]1C[NH3+] ZINC000923499235 637216517 /nfs/dbraw/zinc/21/65/17/637216517.db2.gz MCBPTNJLJYNCMF-BJZITVGISA-N 1 3 315.461 2.171 20 0 DEADHO CCOc1ccc(NC(=O)[C@H](C)N2CC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923501521 637218536 /nfs/dbraw/zinc/21/85/36/637218536.db2.gz SSWURDUHXOOBLQ-ILXRZTDVSA-N 1 3 319.449 2.329 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CC2CCCC2)[C@H](C)C1 ZINC000947979663 637233525 /nfs/dbraw/zinc/23/35/25/637233525.db2.gz JPZYYEFXMCSQPQ-CJNGLKHVSA-N 1 3 318.465 2.420 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)[C@H](C)C1 ZINC000947979663 637233529 /nfs/dbraw/zinc/23/35/29/637233529.db2.gz JPZYYEFXMCSQPQ-CJNGLKHVSA-N 1 3 318.465 2.420 20 0 DEADHO C[C@H]([NH2+]CC1CCC1)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001029108489 637240580 /nfs/dbraw/zinc/24/05/80/637240580.db2.gz KQPDAOVABOEMBX-HNNXBMFYSA-N 1 3 321.509 2.488 20 0 DEADHO CN(CC[C@H]1CCC[NH2+]C1)CC(=O)NCCC1=CCCCC1 ZINC000923556096 637247461 /nfs/dbraw/zinc/24/74/61/637247461.db2.gz ZHRXKILBRSRBQW-QGZVFWFLSA-N 1 3 307.482 2.315 20 0 DEADHO CC1CCN(CC(=O)N(C)C2CC[NH+](CC3CCC3)CC2)CC1 ZINC001006185518 637269650 /nfs/dbraw/zinc/26/96/50/637269650.db2.gz XZAFVATUSOLGMF-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000895099222 637556574 /nfs/dbraw/zinc/55/65/74/637556574.db2.gz YYEQYIQRHHLRRA-DLBZAZTESA-N 1 3 324.513 2.233 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C ZINC001029330028 637610829 /nfs/dbraw/zinc/61/08/29/637610829.db2.gz REBXRSCDQRHQKM-IXDOHACOSA-N 1 3 307.482 2.192 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C ZINC001029330028 637610833 /nfs/dbraw/zinc/61/08/33/637610833.db2.gz REBXRSCDQRHQKM-IXDOHACOSA-N 1 3 307.482 2.192 20 0 DEADHO CCc1nn(C)c(CC)c1CNCc1ccc(CC[NH3+])cc1 ZINC000841032115 650409300 /nfs/dbraw/zinc/40/93/00/650409300.db2.gz LTMLCOBKFGQUMC-UHFFFAOYSA-N 1 3 300.450 2.336 20 0 DEADHO CC[C@H](C(=O)N1CCC([N@H+](C)CC2CCCC2)CC1)N(C)C ZINC000985494241 639459218 /nfs/dbraw/zinc/45/92/18/639459218.db2.gz BWVBLKZFXLCVIB-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N1CCC([N@@H+](C)CC2CCCC2)CC1)N(C)C ZINC000985494241 639459220 /nfs/dbraw/zinc/45/92/20/639459220.db2.gz BWVBLKZFXLCVIB-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC([N@H+](C)CC2CC2)CC1 ZINC000985804519 639645332 /nfs/dbraw/zinc/64/53/32/639645332.db2.gz RBYLPPAVJHURFQ-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC([N@@H+](C)CC2CC2)CC1 ZINC000985804519 639645333 /nfs/dbraw/zinc/64/53/33/639645333.db2.gz RBYLPPAVJHURFQ-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO CC[C@H]1COC[C@@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000925223625 639648905 /nfs/dbraw/zinc/64/89/05/639648905.db2.gz XFRFRSXSLCPURR-KXBFYZLASA-N 1 3 318.461 2.158 20 0 DEADHO OC[C@]12C[C@H]1CN(Cc1cccc(C[NH+]3CCCCC3)c1)C2 ZINC000839574463 639758162 /nfs/dbraw/zinc/75/81/62/639758162.db2.gz MBMNMNPLTDGGJQ-RBUKOAKNSA-N 1 3 300.446 2.487 20 0 DEADHO C[C@@H]1[C@H]([NH2+]Cc2ccsc2)CCN1C(=O)CN(C)C1CCC1 ZINC000986354474 639885310 /nfs/dbraw/zinc/88/53/10/639885310.db2.gz KBVFFMGMRLFUKL-CZUORRHYSA-N 1 3 321.490 2.311 20 0 DEADHO CC(C)[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@@H]1C ZINC000987569092 640225324 /nfs/dbraw/zinc/22/53/24/640225324.db2.gz VLXSBQDKJGUNFF-PBHICJAKSA-N 1 3 303.450 2.349 20 0 DEADHO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)cc1 ZINC000989800944 641229747 /nfs/dbraw/zinc/22/97/47/641229747.db2.gz WDLHACKRLXILAX-SJLPKXTDSA-N 1 3 315.461 2.170 20 0 DEADHO C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccccc1 ZINC000990243653 641408291 /nfs/dbraw/zinc/40/82/91/641408291.db2.gz HYTDRCYLIMUUMC-CRAIPNDOSA-N 1 3 315.461 2.422 20 0 DEADHO C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccccc1 ZINC000990243656 641408663 /nfs/dbraw/zinc/40/86/63/641408663.db2.gz HYTDRCYLIMUUMC-YJBOKZPZSA-N 1 3 315.461 2.422 20 0 DEADHO COc1ccc(NC(=O)[C@@H]2CCCN2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000842472394 650747240 /nfs/dbraw/zinc/74/72/40/650747240.db2.gz XONMNELXBUMRTI-YOEHRIQHSA-N 1 3 317.433 2.098 20 0 DEADHO CN(CCCO)C1CC[NH+](C[C@@H]2CCc3ccccc32)CC1 ZINC000780285755 642608200 /nfs/dbraw/zinc/60/82/00/642608200.db2.gz MIGIQDQECXLTMA-KRWDZBQOSA-N 1 3 302.462 2.495 20 0 DEADHO Cc1ccc(C(=O)NCCN[C@@H]2CC[NH2+]CC(C)(C)C2)cc1F ZINC000902334255 643008800 /nfs/dbraw/zinc/00/88/00/643008800.db2.gz BUSRESAVRJNRCB-OAHLLOKOSA-N 1 3 321.440 2.232 20 0 DEADHO CC1(C)C[NH2+]CC[C@@H](N[C@H]2CCCN(C(=O)N3CCCC3)C2)C1 ZINC000902384164 643024592 /nfs/dbraw/zinc/02/45/92/643024592.db2.gz IFDHYAXOARJBGC-CVEARBPZSA-N 1 3 322.497 2.034 20 0 DEADHO CC1(C)C[NH2+]CC[C@@H](NC[C@H]2CCCN2CC(F)(F)F)C1 ZINC000902404059 643030713 /nfs/dbraw/zinc/03/07/13/643030713.db2.gz ITFAZQCEWDOHKL-CHWSQXEVSA-N 1 3 307.404 2.381 20 0 DEADHO COC[C@H](CCC[NH3+])NCc1cc(-c2cccc(OC)c2)no1 ZINC000902450318 643045502 /nfs/dbraw/zinc/04/55/02/643045502.db2.gz CQBQNJFXLDGITC-AWEZNQCLSA-N 1 3 319.405 2.194 20 0 DEADHO OC1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)Cc2ccccc2C1 ZINC000903099670 643248926 /nfs/dbraw/zinc/24/89/26/643248926.db2.gz LFVJISAFMYBVAA-JLYLLQBASA-N 1 3 312.457 2.264 20 0 DEADHO OC1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)Cc2ccccc2C1 ZINC000903099670 643248929 /nfs/dbraw/zinc/24/89/29/643248929.db2.gz LFVJISAFMYBVAA-JLYLLQBASA-N 1 3 312.457 2.264 20 0 DEADHO CO[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000903107093 643250974 /nfs/dbraw/zinc/25/09/74/643250974.db2.gz LNUIGEJLLHUSPU-MOPGFXCFSA-N 1 3 318.461 2.300 20 0 DEADHO C[NH+](C)CC[C@@H](N[C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)c1cccnc1 ZINC000903379234 643335205 /nfs/dbraw/zinc/33/52/05/643335205.db2.gz VVPNIDVJYPCQFC-GRUVHVDGSA-N 1 3 315.461 2.478 20 0 DEADHO Clc1cncc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1 ZINC000903505615 643366972 /nfs/dbraw/zinc/36/69/72/643366972.db2.gz FFPOVYVZYOUMKB-CALCHBBNSA-N 1 3 320.868 2.136 20 0 DEADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1sccc1Cl)C2 ZINC000903493529 643369496 /nfs/dbraw/zinc/36/94/96/643369496.db2.gz UIMDBLWFKPVAGC-RBZYPMLTSA-N 1 3 314.838 2.114 20 0 DEADHO C[C@@H]1CN(Cc2ccn(-c3ccc(F)cc3)n2)C[C@H]1CC[NH3+] ZINC000903497259 643372657 /nfs/dbraw/zinc/37/26/57/643372657.db2.gz RQCSDOCOVIKUOQ-ZIAGYGMSSA-N 1 3 302.397 2.428 20 0 DEADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCNC3=O)cc2)C1 ZINC000786788686 643408814 /nfs/dbraw/zinc/40/88/14/643408814.db2.gz HJYVHFOTGIPHJD-LSDHHAIUSA-N 1 3 316.449 2.209 20 0 DEADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786830638 643415705 /nfs/dbraw/zinc/41/57/05/643415705.db2.gz UWRIBAWDSMUMNE-DZKIICNBSA-N 1 3 316.449 2.350 20 0 DEADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786830638 643415707 /nfs/dbraw/zinc/41/57/07/643415707.db2.gz UWRIBAWDSMUMNE-DZKIICNBSA-N 1 3 316.449 2.350 20 0 DEADHO CCN(CC)C(=O)[C@@H](C)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794457 643458259 /nfs/dbraw/zinc/45/82/59/643458259.db2.gz VVNURPJMQUJGRM-MRXNPFEDSA-N 1 3 317.477 2.236 20 0 DEADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N([C@@H]1CCCN(c3cccc(F)c3)C1=O)C2 ZINC000903843643 643481538 /nfs/dbraw/zinc/48/15/38/643481538.db2.gz OXOWFDKDOFRBJO-JSQNDZKTSA-N 1 3 317.408 2.133 20 0 DEADHO Cc1c(C[C@H](C[NH3+])CN(C)Cc2cccc(C)c2)cnn1C ZINC000903880561 643495329 /nfs/dbraw/zinc/49/53/29/643495329.db2.gz UFHGXWFUKGXZRC-QGZVFWFLSA-N 1 3 300.450 2.286 20 0 DEADHO Cc1c(C[C@H](C[NH3+])CN2CCS[C@H]3CCCC[C@H]32)cnn1C ZINC000903899668 643500876 /nfs/dbraw/zinc/50/08/76/643500876.db2.gz VZRSFWGRCJIXSH-OIISXLGYSA-N 1 3 322.522 2.206 20 0 DEADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCCC[C@H]1C1CCC1 ZINC000903931446 643513357 /nfs/dbraw/zinc/51/33/57/643513357.db2.gz DYJCZKUWGCWTAF-RDJZCZTQSA-N 1 3 303.454 2.357 20 0 DEADHO Cc1c(C[C@H](CN)C[N@@H+]2CCC[C@H](C3CCC3)C2)cnn1C ZINC000903933011 643514540 /nfs/dbraw/zinc/51/45/40/643514540.db2.gz JPMZVOZVEWMXFM-WBVHZDCISA-N 1 3 304.482 2.358 20 0 DEADHO Cc1c(C[C@H](CN)C[N@H+]2CCC[C@H](C3CCC3)C2)cnn1C ZINC000903933011 643514543 /nfs/dbraw/zinc/51/45/43/643514543.db2.gz JPMZVOZVEWMXFM-WBVHZDCISA-N 1 3 304.482 2.358 20 0 DEADHO COCCOc1cccc(C[NH2+]C[C@@H]2CNCCC2(F)F)c1 ZINC000903955660 643529460 /nfs/dbraw/zinc/52/94/60/643529460.db2.gz YMCWLUOJYYLNKW-AWEZNQCLSA-N 1 3 314.376 2.046 20 0 DEADHO CCC[C@H](C)NC(=O)[C@@H]1CCCN(C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904316450 643634203 /nfs/dbraw/zinc/63/42/03/643634203.db2.gz MCAHXPMVSSRHEE-JZXOWHBKSA-N 1 3 309.498 2.393 20 0 DEADHO Cc1ccc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(-c2ccnn2C)c1 ZINC000904420366 643669527 /nfs/dbraw/zinc/66/95/27/643669527.db2.gz LYTSPBFGWVZZET-DOTOQJQBSA-N 1 3 310.445 2.437 20 0 DEADHO C[NH+](C)CCCOc1ccc(CNC[C@@](C)(O)C(F)F)cc1 ZINC000905098198 643799967 /nfs/dbraw/zinc/79/99/67/643799967.db2.gz RBQVEBYRNZSIHS-MRXNPFEDSA-N 1 3 316.392 2.123 20 0 DEADHO C[NH+](C)CC1(CNC[C@@H](O)C[C@@H](O)c2ccccc2)CCCC1 ZINC000905215149 643834077 /nfs/dbraw/zinc/83/40/77/643834077.db2.gz YEPCVTGQDYBKSG-ZWKOTPCHSA-N 1 3 320.477 2.183 20 0 DEADHO CCCCCCNC(=O)[C@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000843060779 650880765 /nfs/dbraw/zinc/88/07/65/650880765.db2.gz PVLMRLVHGKLYDA-WMZOPIPTSA-N 1 3 309.498 2.395 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000908147339 644752717 /nfs/dbraw/zinc/75/27/17/644752717.db2.gz PGKVANGGAMKORE-IBGZPJMESA-N 1 3 324.428 2.077 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000908147339 644752718 /nfs/dbraw/zinc/75/27/18/644752718.db2.gz PGKVANGGAMKORE-IBGZPJMESA-N 1 3 324.428 2.077 20 0 DEADHO O[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1)c1ccc(F)cn1 ZINC000799310448 645154972 /nfs/dbraw/zinc/15/49/72/645154972.db2.gz YCISHHREERTSTI-MORSLUCNSA-N 1 3 319.424 2.203 20 0 DEADHO O[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1)c1ccc(F)cn1 ZINC000799310448 645154977 /nfs/dbraw/zinc/15/49/77/645154977.db2.gz YCISHHREERTSTI-MORSLUCNSA-N 1 3 319.424 2.203 20 0 DEADHO C[NH+](C)C[C@@H]1CCN(C[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246627780 645509146 /nfs/dbraw/zinc/50/91/46/645509146.db2.gz HPHNRCAOZJJRRU-LSDHHAIUSA-N 1 3 311.470 2.127 20 0 DEADHO C[NH2+]Cc1cccc(NC(=O)c2ccc3c(c2)OCCNC3)c1 ZINC000911691548 645784805 /nfs/dbraw/zinc/78/48/05/645784805.db2.gz BDPJBMFMNHPBFW-UHFFFAOYSA-N 1 3 311.385 2.140 20 0 DEADHO C[NH+](C)CCc1ccc(C(=O)N[C@@]2(C)CN3CCC2CC3)cc1 ZINC000912374645 646048552 /nfs/dbraw/zinc/04/85/52/646048552.db2.gz OWFKBFKKGYYHJT-IBGZPJMESA-N 1 3 315.461 2.005 20 0 DEADHO C[C@@H](CCNC(=O)c1ccc(NC2=NCCC2)cc1)[NH+](C)C ZINC000912394553 646054925 /nfs/dbraw/zinc/05/49/25/646054925.db2.gz TYOVPQODFKEAMF-ZDUSSCGKSA-N 1 3 302.422 2.361 20 0 DEADHO Cc1cc(CN(C)CCC[N@@H+](C)CCN(C)C)cnc1Cl ZINC000809789153 646283905 /nfs/dbraw/zinc/28/39/05/646283905.db2.gz ZNHSNRBKXHGCGD-UHFFFAOYSA-N 1 3 312.889 2.359 20 0 DEADHO Cc1cc(CN(C)CCC[N@H+](C)CCN(C)C)cnc1Cl ZINC000809789153 646283909 /nfs/dbraw/zinc/28/39/09/646283909.db2.gz ZNHSNRBKXHGCGD-UHFFFAOYSA-N 1 3 312.889 2.359 20 0 DEADHO C[N@H+](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CCCC1 ZINC000810352710 646355669 /nfs/dbraw/zinc/35/56/69/646355669.db2.gz LQOVZCFSYGBINZ-KRWDZBQOSA-N 1 3 313.461 2.190 20 0 DEADHO C[N@@H+](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CCCC1 ZINC000810352710 646355671 /nfs/dbraw/zinc/35/56/71/646355671.db2.gz LQOVZCFSYGBINZ-KRWDZBQOSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](N(C)C(=O)CN2CCC(C)(C)C2)CC1 ZINC000948770385 646620927 /nfs/dbraw/zinc/62/09/27/646620927.db2.gz HFHIZTILZVGGLC-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](N(C)C(=O)CN2CCC(C)(C)C2)CC1 ZINC000948770385 646620928 /nfs/dbraw/zinc/62/09/28/646620928.db2.gz HFHIZTILZVGGLC-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)CN(C)C)C1 ZINC000813877046 646817988 /nfs/dbraw/zinc/81/79/88/646817988.db2.gz JEFBBKBEOKHRIE-JHJVBQTASA-N 1 3 306.397 2.141 20 0 DEADHO C[N@@H+]1CCC[C@]2(CCN(CCC(=O)NCC3CCCCC3)C2)C1 ZINC000815145364 646979880 /nfs/dbraw/zinc/97/98/80/646979880.db2.gz ZTRPNHJWOQGUQL-IBGZPJMESA-N 1 3 321.509 2.491 20 0 DEADHO C[N@H+]1CCC[C@]2(CCN(CCC(=O)NCC3CCCCC3)C2)C1 ZINC000815145364 646979885 /nfs/dbraw/zinc/97/98/85/646979885.db2.gz ZTRPNHJWOQGUQL-IBGZPJMESA-N 1 3 321.509 2.491 20 0 DEADHO CC(C)C[C@@H](C[NH3+])N[C@H](C)CC(=O)Nc1cccnc1Cl ZINC000817958114 647393797 /nfs/dbraw/zinc/39/37/97/647393797.db2.gz HQGUJTXIMCXJFM-NEPJUHHUSA-N 1 3 312.845 2.415 20 0 DEADHO COc1ccc([C@@H](C)[NH2+]CC2(N)CCC2)cc1Cn1cccn1 ZINC000817965401 647395500 /nfs/dbraw/zinc/39/55/00/647395500.db2.gz TZYUYHFETBBGTQ-CQSZACIVSA-N 1 3 314.433 2.472 20 0 DEADHO CC[C@@H](N)C[NH2+][C@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000817980874 647399688 /nfs/dbraw/zinc/39/96/88/647399688.db2.gz YAPDGNMRKFWTCE-CZUORRHYSA-N 1 3 302.422 2.328 20 0 DEADHO Cc1ccccc1[C@H](O)CNCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000819265001 647621236 /nfs/dbraw/zinc/62/12/36/647621236.db2.gz KIJCEDWSNOJNJH-SJLPKXTDSA-N 1 3 306.450 2.119 20 0 DEADHO Cc1ccccc1[C@H](O)CNCCC[N@H+]1CCCO[C@H](C)C1 ZINC000819265001 647621240 /nfs/dbraw/zinc/62/12/40/647621240.db2.gz KIJCEDWSNOJNJH-SJLPKXTDSA-N 1 3 306.450 2.119 20 0 DEADHO CCN(Cc1ccoc1)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000820068796 647778191 /nfs/dbraw/zinc/77/81/91/647778191.db2.gz QHLZYRQGMVWKEC-HNNXBMFYSA-N 1 3 324.469 2.083 20 0 DEADHO CCN(Cc1ccoc1)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000820068796 647778196 /nfs/dbraw/zinc/77/81/96/647778196.db2.gz QHLZYRQGMVWKEC-HNNXBMFYSA-N 1 3 324.469 2.083 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000930060391 648129867 /nfs/dbraw/zinc/12/98/67/648129867.db2.gz LXAWKIOTBYKRLO-BKQXGZDCSA-N 1 3 314.420 2.461 20 0 DEADHO Cc1ccccc1[C@@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000824827059 648658084 /nfs/dbraw/zinc/65/80/84/648658084.db2.gz WWTNLTPYTBTZSE-DLBZAZTESA-N 1 3 319.493 2.487 20 0 DEADHO Cc1ccccc1[C@@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000824827059 648658086 /nfs/dbraw/zinc/65/80/86/648658086.db2.gz WWTNLTPYTBTZSE-DLBZAZTESA-N 1 3 319.493 2.487 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000826752395 648921146 /nfs/dbraw/zinc/92/11/46/648921146.db2.gz ZZSUNXPQAZUZOY-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000826752395 648921149 /nfs/dbraw/zinc/92/11/49/648921149.db2.gz ZZSUNXPQAZUZOY-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC000826833034 648933348 /nfs/dbraw/zinc/93/33/48/648933348.db2.gz WLIZXTDWAXQRST-IXDOHACOSA-N 1 3 309.498 2.438 20 0 DEADHO C[S@](=O)CCN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000828563529 649196202 /nfs/dbraw/zinc/19/62/02/649196202.db2.gz FETFZBYGTNCCNG-QFIPXVFZSA-N 1 3 320.502 2.353 20 0 DEADHO C[S@](=O)CCN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000828563529 649196203 /nfs/dbraw/zinc/19/62/03/649196203.db2.gz FETFZBYGTNCCNG-QFIPXVFZSA-N 1 3 320.502 2.353 20 0 DEADHO CC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000995228157 649201895 /nfs/dbraw/zinc/20/18/95/649201895.db2.gz HKRUYFOOSYWCQB-GOEBONIOSA-N 1 3 303.450 2.256 20 0 DEADHO Cc1ccc([C@H](CNC(=O)NCCCCCC[NH3+])N(C)C)cc1 ZINC000831116904 649540561 /nfs/dbraw/zinc/54/05/61/649540561.db2.gz KOHYUGMWSMAXEK-KRWDZBQOSA-N 1 3 320.481 2.416 20 0 DEADHO CC1CCC(N2CCN(C(=O)NCCCCCC[NH3+])CC2)CC1 ZINC000831264115 649562611 /nfs/dbraw/zinc/56/26/11/649562611.db2.gz UEMOUXWRPKPDFN-UHFFFAOYSA-N 1 3 324.513 2.411 20 0 DEADHO Cc1cc([C@H](N)CC(=O)NCCC[NH+]2CCCC2)cc(Cl)n1 ZINC000831789897 649643259 /nfs/dbraw/zinc/64/32/59/649643259.db2.gz VOPRQJPYKOADPN-CQSZACIVSA-N 1 3 324.856 2.035 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)NC[C@H](C)[NH+]2CCCC2)cc(Cl)n1 ZINC000831822531 649646671 /nfs/dbraw/zinc/64/66/71/649646671.db2.gz IYLZFGXDBBTZLK-JSGCOSHPSA-N 1 3 324.856 2.034 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCC1CCC(OC)CC1 ZINC000849018532 651584329 /nfs/dbraw/zinc/58/43/29/651584329.db2.gz CWUDVIVAKSEKQN-HWOWSKLDSA-N 1 3 310.486 2.180 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1cc(C)ccc1F ZINC000849037482 651590506 /nfs/dbraw/zinc/59/05/06/651590506.db2.gz KKICHFQQOXNLLR-OAHLLOKOSA-N 1 3 306.429 2.275 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@@H]1CCC(F)(F)C1 ZINC000855346721 651679720 /nfs/dbraw/zinc/67/97/20/651679720.db2.gz KCNBYGUZWZKBHY-KBPBESRZSA-N 1 3 319.440 2.200 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@@H]1CCC(F)(F)C1 ZINC000855346721 651679721 /nfs/dbraw/zinc/67/97/21/651679721.db2.gz KCNBYGUZWZKBHY-KBPBESRZSA-N 1 3 319.440 2.200 20 0 DEADHO CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000852829351 652465114 /nfs/dbraw/zinc/46/51/14/652465114.db2.gz IQRKLPNSELVYPD-YOEHRIQHSA-N 1 3 303.450 2.001 20 0 DEADHO CN(C)CCN(Cc1ccccc1F)C(=O)C=C1CC[NH2+]CC1 ZINC000852881200 652474123 /nfs/dbraw/zinc/47/41/23/652474123.db2.gz SEZLDJPRUJCKOT-UHFFFAOYSA-N 1 3 319.424 2.026 20 0 DEADHO CN(C)CCC[N@H+](C)CCNc1cc(Cl)nc(C2CC2)n1 ZINC000853798963 652604938 /nfs/dbraw/zinc/60/49/38/652604938.db2.gz MJQKBEJMXJZRGU-UHFFFAOYSA-N 1 3 311.861 2.303 20 0 DEADHO CN(C)CCC[N@@H+](C)CCNc1cc(Cl)nc(C2CC2)n1 ZINC000853798963 652604941 /nfs/dbraw/zinc/60/49/41/652604941.db2.gz MJQKBEJMXJZRGU-UHFFFAOYSA-N 1 3 311.861 2.303 20 0 DEADHO CN(CCF)CC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001373320795 1156976258 /nfs/dbraw/zinc/97/62/58/1156976258.db2.gz QDHWBQWBHOBMAC-MRXNPFEDSA-N 1 3 313.461 2.001 20 0 DEADHO CN(CCF)CC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001373320795 1156976271 /nfs/dbraw/zinc/97/62/71/1156976271.db2.gz QDHWBQWBHOBMAC-MRXNPFEDSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@H](N)CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379660523 685392522 /nfs/dbraw/zinc/39/25/22/685392522.db2.gz ABBDGHCKZLFFNY-FHLIZLRMSA-N 1 3 315.461 2.283 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@H](N)CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000379660523 685392529 /nfs/dbraw/zinc/39/25/29/685392529.db2.gz ABBDGHCKZLFFNY-FHLIZLRMSA-N 1 3 315.461 2.283 20 0 DEADHO C[C@@H]1CCN(C(=O)C[C@@H]([NH3+])C2CC2)CCN1Cc1ccccc1 ZINC000382684086 685405219 /nfs/dbraw/zinc/40/52/19/685405219.db2.gz DKEQDGZCFDGIJO-CRAIPNDOSA-N 1 3 315.461 2.237 20 0 DEADHO CN(C(=O)C[C@H]([NH3+])C1CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388728843 685429916 /nfs/dbraw/zinc/42/99/16/685429916.db2.gz BFKVBVNHHNSPMQ-MSOLQXFVSA-N 1 3 315.461 2.237 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCN1C ZINC000928445638 693782006 /nfs/dbraw/zinc/78/20/06/693782006.db2.gz SHBMOTIFJUPLAL-NXHRZFHOSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000928445638 693782008 /nfs/dbraw/zinc/78/20/08/693782008.db2.gz SHBMOTIFJUPLAL-NXHRZFHOSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)Cc1ccccc1 ZINC000119882981 684088971 /nfs/dbraw/zinc/08/89/71/684088971.db2.gz AHUVATCFSAVMBQ-HNNXBMFYSA-N 1 3 303.450 2.107 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)Cc1ccccc1 ZINC000119882981 684088974 /nfs/dbraw/zinc/08/89/74/684088974.db2.gz AHUVATCFSAVMBQ-HNNXBMFYSA-N 1 3 303.450 2.107 20 0 DEADHO [NH3+]CCCCCC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000155452551 684273562 /nfs/dbraw/zinc/27/35/62/684273562.db2.gz QSUXXIAJLOLRTL-QGZVFWFLSA-N 1 3 303.450 2.459 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001054145903 693862588 /nfs/dbraw/zinc/86/25/88/693862588.db2.gz ZQWAAQUARIXWSP-IEBWSBKVSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001054145903 693862591 /nfs/dbraw/zinc/86/25/91/693862591.db2.gz ZQWAAQUARIXWSP-IEBWSBKVSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@]2(CC[N@@H+](C(C)C)C2)C1)N(C)C ZINC001054148429 693863525 /nfs/dbraw/zinc/86/35/25/693863525.db2.gz NYBIFTKPYXBAES-FUHWJXTLSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](C(C)C)C2)C1)N(C)C ZINC001054148429 693863529 /nfs/dbraw/zinc/86/35/29/693863529.db2.gz NYBIFTKPYXBAES-FUHWJXTLSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001054197999 693879012 /nfs/dbraw/zinc/87/90/12/693879012.db2.gz NCVVWHGLEUSRRO-HKUYNNGSSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001054197999 693879017 /nfs/dbraw/zinc/87/90/17/693879017.db2.gz NCVVWHGLEUSRRO-HKUYNNGSSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001054198505 693879172 /nfs/dbraw/zinc/87/91/72/693879172.db2.gz YMBAUJNOPLFFQW-WMZOPIPTSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001054198505 693879177 /nfs/dbraw/zinc/87/91/77/693879177.db2.gz YMBAUJNOPLFFQW-WMZOPIPTSA-N 1 3 307.482 2.194 20 0 DEADHO CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001054198516 693879881 /nfs/dbraw/zinc/87/98/81/693879881.db2.gz YVGYTWNPQBVRSW-MJGOQNOKSA-N 1 3 321.509 2.443 20 0 DEADHO CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001054198516 693879882 /nfs/dbraw/zinc/87/98/82/693879882.db2.gz YVGYTWNPQBVRSW-MJGOQNOKSA-N 1 3 321.509 2.443 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205449 693882207 /nfs/dbraw/zinc/88/22/07/693882207.db2.gz RQCVNHSZIIJWGC-CRAIPNDOSA-N 1 3 318.465 2.313 20 0 DEADHO CC[C@@H](C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205449 693882210 /nfs/dbraw/zinc/88/22/10/693882210.db2.gz RQCVNHSZIIJWGC-CRAIPNDOSA-N 1 3 318.465 2.313 20 0 DEADHO C[C@H]1CC[C@@H](NC2CCN(c3ccc(N(C)C)cc3)CC2)C[NH2+]1 ZINC000863484039 686508684 /nfs/dbraw/zinc/50/86/84/686508684.db2.gz GYQLQMJUILVNIK-DOTOQJQBSA-N 1 3 316.493 2.452 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@H](N[C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000863484918 686509050 /nfs/dbraw/zinc/50/90/50/686509050.db2.gz PYQWCZNNOCTHKA-RNJOBUHISA-N 1 3 304.381 2.084 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]CCC1CCCC1 ZINC001054735096 694035451 /nfs/dbraw/zinc/03/54/51/694035451.db2.gz HOTQJVPXLSMTNI-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]CC1CCCC1 ZINC001054740007 694035880 /nfs/dbraw/zinc/03/58/80/694035880.db2.gz UPWKRNYWUCREJY-HOCLYGCPSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](CNC(=[NH2+])Nc1ccc(CCO)cc1)N1CCC[C@H](C)C1 ZINC000864453234 686725590 /nfs/dbraw/zinc/72/55/90/686725590.db2.gz LOFCUAIPBDSSDZ-LSDHHAIUSA-N 1 3 318.465 2.278 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C1CC[NH+](CC2CCC2)CC1 ZINC001394848844 1158812260 /nfs/dbraw/zinc/81/22/60/1158812260.db2.gz ZOGOZTULHYAWKH-HNNXBMFYSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](F)CN1CCC([C@H](C)NC(=O)CC[N@H+](C)CC)CC1 ZINC001394848692 1158812555 /nfs/dbraw/zinc/81/25/55/1158812555.db2.gz YAXIMHARJRJNMP-GOEBONIOSA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@@H](F)CN1CCC([C@H](C)NC(=O)CC[N@@H+](C)CC)CC1 ZINC001394848692 1158812560 /nfs/dbraw/zinc/81/25/60/1158812560.db2.gz YAXIMHARJRJNMP-GOEBONIOSA-N 1 3 315.477 2.293 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000866153693 687467757 /nfs/dbraw/zinc/46/77/57/687467757.db2.gz QJTHHFQJJCYVMQ-NVXWUHKLSA-N 1 3 316.449 2.306 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000866153693 687467762 /nfs/dbraw/zinc/46/77/62/687467762.db2.gz QJTHHFQJJCYVMQ-NVXWUHKLSA-N 1 3 316.449 2.306 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[N@H+](CCC3CC3)C2)c1 ZINC001016324154 687592115 /nfs/dbraw/zinc/59/21/15/687592115.db2.gz VJWUGGLQSZDRBL-GOSISDBHSA-N 1 3 315.461 2.352 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](CCC3CC3)C2)c1 ZINC001016324154 687592116 /nfs/dbraw/zinc/59/21/16/687592116.db2.gz VJWUGGLQSZDRBL-GOSISDBHSA-N 1 3 315.461 2.352 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H](C[N@H+](C)CC2CCC2)C1)N(C)C ZINC001017151617 687804954 /nfs/dbraw/zinc/80/49/54/687804954.db2.gz GTWUJRKVJADOTR-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC2CCC2)C1)N(C)C ZINC001017151617 687804960 /nfs/dbraw/zinc/80/49/60/687804960.db2.gz GTWUJRKVJADOTR-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H](C[N@H+](C)CC3CCC3)C2)C1 ZINC001017209747 687824359 /nfs/dbraw/zinc/82/43/59/687824359.db2.gz RQRGWUIEZFLSIR-WMZOPIPTSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H](C[N@@H+](C)CC3CCC3)C2)C1 ZINC001017209747 687824366 /nfs/dbraw/zinc/82/43/66/687824366.db2.gz RQRGWUIEZFLSIR-WMZOPIPTSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000867998824 687868227 /nfs/dbraw/zinc/86/82/27/687868227.db2.gz JCNOBANOLZKXQM-BPQIPLTHSA-N 1 3 315.461 2.155 20 0 DEADHO CC[C@@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001017557094 687911891 /nfs/dbraw/zinc/91/18/91/687911891.db2.gz OGUGSEYTZLIKMV-BGTYHANMSA-N 1 3 319.493 2.050 20 0 DEADHO CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1CN(CC1CC(C)C1)C2)[NH+](C)C ZINC001017905937 687994668 /nfs/dbraw/zinc/99/46/68/687994668.db2.gz RWWNRKDAZAZLRF-KWXGJIJISA-N 1 3 321.509 2.294 20 0 DEADHO CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001018031442 688033099 /nfs/dbraw/zinc/03/30/99/688033099.db2.gz GQZPTMGCDTYHGL-CALCHBBNSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001018180471 688072717 /nfs/dbraw/zinc/07/27/17/688072717.db2.gz WCNIOUWTCJXNOW-ZACQAIPSSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001018180471 688072720 /nfs/dbraw/zinc/07/27/20/688072720.db2.gz WCNIOUWTCJXNOW-ZACQAIPSSA-N 1 3 307.482 2.050 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001018633981 688190401 /nfs/dbraw/zinc/19/04/01/688190401.db2.gz DMBKHYDYNWYNPN-IRXDYDNUSA-N 1 3 319.493 2.242 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cccc(Cl)c2)C1)N(C)C ZINC001019397049 688347043 /nfs/dbraw/zinc/34/70/43/688347043.db2.gz GSARCBPZENWDFT-HOTGVXAUSA-N 1 3 323.868 2.371 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2)C1)N(C)C ZINC001019397132 688347308 /nfs/dbraw/zinc/34/73/08/688347308.db2.gz KIXJRDWSTOPCTA-IRXDYDNUSA-N 1 3 303.450 2.026 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccsc2)C1)N(C)C ZINC001029766969 688574265 /nfs/dbraw/zinc/57/42/65/688574265.db2.gz ITAJEIGBAOARRU-GOEBONIOSA-N 1 3 323.506 2.369 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccsc2)C1)N(C)C ZINC001029766969 688574266 /nfs/dbraw/zinc/57/42/66/688574266.db2.gz ITAJEIGBAOARRU-GOEBONIOSA-N 1 3 323.506 2.369 20 0 DEADHO [NH3+][C@H]1CC[C@H](C(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000870862961 688670215 /nfs/dbraw/zinc/67/02/15/688670215.db2.gz IOVORGWOMCIJNF-KZNAEPCWSA-N 1 3 315.461 2.457 20 0 DEADHO [NH3+][C@H]1CC[C@@H](C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000870862960 688670245 /nfs/dbraw/zinc/67/02/45/688670245.db2.gz IOVORGWOMCIJNF-KSZLIROESA-N 1 3 315.461 2.457 20 0 DEADHO [NH3+][C@H]1CC[C@H](C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000870862958 688670342 /nfs/dbraw/zinc/67/03/42/688670342.db2.gz IOVORGWOMCIJNF-BZSNNMDCSA-N 1 3 315.461 2.457 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000870872888 688673864 /nfs/dbraw/zinc/67/38/64/688673864.db2.gz OZVASKDIBLIWBQ-DZJNRPSUSA-N 1 3 315.461 2.456 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)N(C)C)cc1 ZINC000870874871 688675163 /nfs/dbraw/zinc/67/51/63/688675163.db2.gz PSGJXLZPOUPBMI-IXDOHACOSA-N 1 3 303.450 2.231 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000871765516 688863224 /nfs/dbraw/zinc/86/32/24/688863224.db2.gz YQVBHQOAUZTLPJ-IAGOWNOFSA-N 1 3 316.449 2.449 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1 ZINC000871765516 688863227 /nfs/dbraw/zinc/86/32/27/688863227.db2.gz YQVBHQOAUZTLPJ-IAGOWNOFSA-N 1 3 316.449 2.449 20 0 DEADHO C[C@@H](C(=O)N1CCc2ccccc21)N(C)CCCCCC[NH3+] ZINC000872155084 688939652 /nfs/dbraw/zinc/93/96/52/688939652.db2.gz LCTGGDCOJNXTAX-HNNXBMFYSA-N 1 3 303.450 2.415 20 0 DEADHO C[C@@H](c1ccccc1)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001031680987 688978618 /nfs/dbraw/zinc/97/86/18/688978618.db2.gz BGPOPGPORIXTAR-HDMKZQKVSA-N 1 3 315.461 2.136 20 0 DEADHO C[C@@H](c1ccccc1)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001031680987 688978620 /nfs/dbraw/zinc/97/86/20/688978620.db2.gz BGPOPGPORIXTAR-HDMKZQKVSA-N 1 3 315.461 2.136 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCC1C[NH+](CC2CCCCC2)C1 ZINC001031715411 688985304 /nfs/dbraw/zinc/98/53/04/688985304.db2.gz UIUQLKSCHWHIAU-GOSISDBHSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@@H](C)C[NH+]1CC(CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001032026959 689045158 /nfs/dbraw/zinc/04/51/58/689045158.db2.gz LIXQXMFESIOSHJ-NVXWUHKLSA-N 1 3 309.498 2.343 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC1CN(CCCF)C1 ZINC001032117723 689066432 /nfs/dbraw/zinc/06/64/32/689066432.db2.gz KFXYDXRCSONWIZ-INIZCTEOSA-N 1 3 313.461 2.049 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1C(=O)NCC1CN(CCCF)C1 ZINC001032117723 689066436 /nfs/dbraw/zinc/06/64/36/689066436.db2.gz KFXYDXRCSONWIZ-INIZCTEOSA-N 1 3 313.461 2.049 20 0 DEADHO O=C1CC[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CCN1 ZINC000873029721 689144341 /nfs/dbraw/zinc/14/43/41/689144341.db2.gz PGDDVNNSUXBDFP-INIZCTEOSA-N 1 3 307.482 2.289 20 0 DEADHO C[C@H](C[NH2+]Cc1cccc(-n2cc(CN)nn2)c1)C(C)(C)C ZINC000873215814 689185938 /nfs/dbraw/zinc/18/59/38/689185938.db2.gz FRXGIVNRNYSVDZ-CYBMUJFWSA-N 1 3 301.438 2.498 20 0 DEADHO C[C@@H]1CC(C)(C)C[C@](C)([NH2+]C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000873231723 689190090 /nfs/dbraw/zinc/19/00/90/689190090.db2.gz BNBIQBUJNZFZNM-IIDMSEBBSA-N 1 3 309.498 2.378 20 0 DEADHO CC(C)(C)n1cc(CN[C@H]2CCCCC23CC[NH2+]CC3)nn1 ZINC000873231863 689190206 /nfs/dbraw/zinc/19/02/06/689190206.db2.gz SGHZHFWEYYKTRG-HNNXBMFYSA-N 1 3 305.470 2.435 20 0 DEADHO CC1CC(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001032586906 689194910 /nfs/dbraw/zinc/19/49/10/689194910.db2.gz GOLZVRIVQVZOOE-DMFOYOFUSA-N 1 3 319.493 2.048 20 0 DEADHO CC1CC(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001032586906 689194913 /nfs/dbraw/zinc/19/49/13/689194913.db2.gz GOLZVRIVQVZOOE-DMFOYOFUSA-N 1 3 319.493 2.048 20 0 DEADHO C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCC2)C1 ZINC001032732290 689240237 /nfs/dbraw/zinc/24/02/37/689240237.db2.gz ZXVWQPADMUBNNB-SQNIBIBYSA-N 1 3 319.493 2.194 20 0 DEADHO C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCC2)C1 ZINC001032732290 689240241 /nfs/dbraw/zinc/24/02/41/689240241.db2.gz ZXVWQPADMUBNNB-SQNIBIBYSA-N 1 3 319.493 2.194 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CC34CCC4)CC2)CC1 ZINC000874778655 689486851 /nfs/dbraw/zinc/48/68/51/689486851.db2.gz QUUWHMVRMBPCRT-QGZVFWFLSA-N 1 3 319.493 2.242 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001034329291 689811401 /nfs/dbraw/zinc/81/14/01/689811401.db2.gz GJSGOONOEAPZNY-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001034329291 689811403 /nfs/dbraw/zinc/81/14/03/689811403.db2.gz GJSGOONOEAPZNY-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)(C)OC(=O)N1CCCC[C@H](CN2C[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000876817909 689946133 /nfs/dbraw/zinc/94/61/33/689946133.db2.gz OVFPTXPUTQXQNL-PMPSAXMXSA-N 1 3 323.481 2.175 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001034884444 689977561 /nfs/dbraw/zinc/97/75/61/689977561.db2.gz GVSAQRFSWDACBG-HZPDHXFCSA-N 1 3 307.482 2.097 20 0 DEADHO CC[NH2+][C@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC001036304471 690315568 /nfs/dbraw/zinc/31/55/68/690315568.db2.gz QVBRQBHUJHBNDG-YOEHRIQHSA-N 1 3 303.450 2.208 20 0 DEADHO CC[C@@H](Cc1ccccc1)N(C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878132519 690319780 /nfs/dbraw/zinc/31/97/80/690319780.db2.gz XVMYOUMAVRMXPD-SFHVURJKSA-N 1 3 317.477 2.150 20 0 DEADHO CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001036403101 690342180 /nfs/dbraw/zinc/34/21/80/690342180.db2.gz ZUOBXLDTXLQCLX-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@@H]21 ZINC001036736342 690452574 /nfs/dbraw/zinc/45/25/74/690452574.db2.gz YOIXGKBYNBRMJE-SJORKVTESA-N 1 3 319.493 2.360 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@@H]21 ZINC001036736342 690452578 /nfs/dbraw/zinc/45/25/78/690452578.db2.gz YOIXGKBYNBRMJE-SJORKVTESA-N 1 3 319.493 2.360 20 0 DEADHO CCCC[N@@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@H]21 ZINC001036820875 690485829 /nfs/dbraw/zinc/48/58/29/690485829.db2.gz QDNOJKUAFXOPHJ-DLBZAZTESA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@H]21 ZINC001036820875 690485833 /nfs/dbraw/zinc/48/58/33/690485833.db2.gz QDNOJKUAFXOPHJ-DLBZAZTESA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820878 690486016 /nfs/dbraw/zinc/48/60/16/690486016.db2.gz QDNOJKUAFXOPHJ-SJORKVTESA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820878 690486017 /nfs/dbraw/zinc/48/60/17/690486017.db2.gz QDNOJKUAFXOPHJ-SJORKVTESA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@H]21 ZINC001036820699 690486069 /nfs/dbraw/zinc/48/60/69/690486069.db2.gz NDJJHHAXQHLNLJ-DLBZAZTESA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@H]21 ZINC001036820699 690486073 /nfs/dbraw/zinc/48/60/73/690486073.db2.gz NDJJHHAXQHLNLJ-DLBZAZTESA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)CCNC(=O)[C@H](C)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248808 690602564 /nfs/dbraw/zinc/60/25/64/690602564.db2.gz UVVLXLBQFYQMDU-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CC1CCC1 ZINC001037858130 690625319 /nfs/dbraw/zinc/62/53/19/690625319.db2.gz FEBLGTSJSXFEBM-WMZOPIPTSA-N 1 3 321.509 2.488 20 0 DEADHO CN1CC[NH+](C2CCN(C[C@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000879595078 690683819 /nfs/dbraw/zinc/68/38/19/690683819.db2.gz WZUFPEKDUPLOSQ-AWEZNQCLSA-N 1 3 320.308 2.282 20 0 DEADHO COC[C@@H](CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1)OC ZINC000880023238 690783758 /nfs/dbraw/zinc/78/37/58/690783758.db2.gz VDBLCPMGIHHMFA-IPMKNSEASA-N 1 3 318.461 2.102 20 0 DEADHO COC[C@@H](CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1)OC ZINC000880023238 690783760 /nfs/dbraw/zinc/78/37/60/690783760.db2.gz VDBLCPMGIHHMFA-IPMKNSEASA-N 1 3 318.461 2.102 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CCN2CCC2CC2)C1 ZINC001038620688 690877796 /nfs/dbraw/zinc/87/77/96/690877796.db2.gz CHPSQNJDQWZSOI-DLBZAZTESA-N 1 3 307.482 2.099 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CCN2CCC2CC2)C1 ZINC001038620688 690877797 /nfs/dbraw/zinc/87/77/97/690877797.db2.gz CHPSQNJDQWZSOI-DLBZAZTESA-N 1 3 307.482 2.099 20 0 DEADHO C[NH+]1CCC(C(=O)NC[C@H]2CCN2CC2CC3(CCC3)C2)CC1 ZINC001038672867 690893997 /nfs/dbraw/zinc/89/39/97/690893997.db2.gz YMBQDWBOMBYKLH-QGZVFWFLSA-N 1 3 319.493 2.099 20 0 DEADHO CC[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)[C@@H]1CCCOC1 ZINC000880471852 690906258 /nfs/dbraw/zinc/90/62/58/690906258.db2.gz WNKCHIHZGRNIMX-MSOLQXFVSA-N 1 3 311.514 2.197 20 0 DEADHO CN(CCCC[NH+]1CCCCC1)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000880517239 690915797 /nfs/dbraw/zinc/91/57/97/690915797.db2.gz MXHMDUPQQOJATR-MRXNPFEDSA-N 1 3 309.454 2.168 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN2CCC2CCCCCC2)C1 ZINC001039028848 690997926 /nfs/dbraw/zinc/99/79/26/690997926.db2.gz RTGAHUMFSQOFOR-MSOLQXFVSA-N 1 3 321.509 2.489 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN2CCC2CCCCCC2)C1 ZINC001039028848 690997929 /nfs/dbraw/zinc/99/79/29/690997929.db2.gz RTGAHUMFSQOFOR-MSOLQXFVSA-N 1 3 321.509 2.489 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1[C@H]1CC[N@H+](CC2CC2)C1 ZINC001039240408 691064866 /nfs/dbraw/zinc/06/48/66/691064866.db2.gz WXWXPYROYQZSSM-DOTOQJQBSA-N 1 3 316.449 2.065 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001039240408 691064868 /nfs/dbraw/zinc/06/48/68/691064868.db2.gz WXWXPYROYQZSSM-DOTOQJQBSA-N 1 3 316.449 2.065 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](C(C)C)C2)N(C)C ZINC001040249874 691220352 /nfs/dbraw/zinc/22/03/52/691220352.db2.gz DEORTLXRAGPPOQ-FUHWJXTLSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](C(C)C)C2)N(C)C ZINC001040249874 691220355 /nfs/dbraw/zinc/22/03/55/691220355.db2.gz DEORTLXRAGPPOQ-FUHWJXTLSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001040397140 691242790 /nfs/dbraw/zinc/24/27/90/691242790.db2.gz YBSFSGADRHMHFH-AEFFLSMTSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001040397140 691242791 /nfs/dbraw/zinc/24/27/91/691242791.db2.gz YBSFSGADRHMHFH-AEFFLSMTSA-N 1 3 307.482 2.194 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@@]2(C1)CCC[N@H+](CC1CCC1)C2 ZINC001040421985 691245376 /nfs/dbraw/zinc/24/53/76/691245376.db2.gz IOIPIGJTHXBZLX-SFHVURJKSA-N 1 3 316.449 2.067 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC001040421985 691245378 /nfs/dbraw/zinc/24/53/78/691245378.db2.gz IOIPIGJTHXBZLX-SFHVURJKSA-N 1 3 316.449 2.067 20 0 DEADHO CCC[NH+]1CCC2(CCN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001040849367 691292533 /nfs/dbraw/zinc/29/25/33/691292533.db2.gz QSRUEZQGCHJJLG-INIZCTEOSA-N 1 3 307.482 2.053 20 0 DEADHO CC(C)C[NH+]1CCC2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001040848427 691292652 /nfs/dbraw/zinc/29/26/52/691292652.db2.gz HPYUIOJEHVWQNJ-QGZVFWFLSA-N 1 3 321.509 2.299 20 0 DEADHO CCCC[N@@H+]1CC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041354479 691366080 /nfs/dbraw/zinc/36/60/80/691366080.db2.gz OEFMPQNETIVGBV-KRWDZBQOSA-N 1 3 307.482 2.195 20 0 DEADHO CCCC[N@H+]1CC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041354479 691366083 /nfs/dbraw/zinc/36/60/83/691366083.db2.gz OEFMPQNETIVGBV-KRWDZBQOSA-N 1 3 307.482 2.195 20 0 DEADHO CCCC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001041672316 691407864 /nfs/dbraw/zinc/40/78/64/691407864.db2.gz BGCPTVDKCIFNLF-AEFFLSMTSA-N 1 3 307.482 2.195 20 0 DEADHO CCCC[N@H+]1CC[C@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001041672316 691407866 /nfs/dbraw/zinc/40/78/66/691407866.db2.gz BGCPTVDKCIFNLF-AEFFLSMTSA-N 1 3 307.482 2.195 20 0 DEADHO C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCC2(CCOCC2)CO1 ZINC000883254159 691466620 /nfs/dbraw/zinc/46/66/20/691466620.db2.gz LSKHDIABOOKWLG-BRWVUGGUSA-N 1 3 308.466 2.179 20 0 DEADHO C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCC2(CCOCC2)CO1 ZINC000883254159 691466623 /nfs/dbraw/zinc/46/66/23/691466623.db2.gz LSKHDIABOOKWLG-BRWVUGGUSA-N 1 3 308.466 2.179 20 0 DEADHO [NH3+]C[C@]12CCC[C@H]1CN(C[C@@H]1CCC3(CCOCC3)CO1)C2 ZINC000883434808 691508829 /nfs/dbraw/zinc/50/88/29/691508829.db2.gz BMLRUZQRWHHAEK-BQFCYCMXSA-N 1 3 308.466 2.023 20 0 DEADHO COc1cccc(NC(=O)CC[N@@H+]2CCNCCC23CCC3)c1 ZINC000883458429 691516958 /nfs/dbraw/zinc/51/69/58/691516958.db2.gz JFWRDDAIMVUZQM-UHFFFAOYSA-N 1 3 317.433 2.242 20 0 DEADHO COc1cccc(NC(=O)CC[N@H+]2CCNCCC23CCC3)c1 ZINC000883458429 691516961 /nfs/dbraw/zinc/51/69/61/691516961.db2.gz JFWRDDAIMVUZQM-UHFFFAOYSA-N 1 3 317.433 2.242 20 0 DEADHO CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@H]21 ZINC001042365110 691583209 /nfs/dbraw/zinc/58/32/09/691583209.db2.gz JICPRGKIIJFRKS-SJLPKXTDSA-N 1 3 315.461 2.305 20 0 DEADHO CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@H]21 ZINC001042365110 691583213 /nfs/dbraw/zinc/58/32/13/691583213.db2.gz JICPRGKIIJFRKS-SJLPKXTDSA-N 1 3 315.461 2.305 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)[C@H](N)CC1CC1)Cc1ccccc1 ZINC000884188441 691677399 /nfs/dbraw/zinc/67/73/99/691677399.db2.gz IFDXYXYQVJMOTR-QZTJIDSGSA-N 1 3 317.477 2.183 20 0 DEADHO CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000884306090 691705516 /nfs/dbraw/zinc/70/55/16/691705516.db2.gz SOESFVCWHRRFDF-INIZCTEOSA-N 1 3 309.498 2.473 20 0 DEADHO C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000884314841 691708087 /nfs/dbraw/zinc/70/80/87/691708087.db2.gz XTFPZAYVFMQKJC-RYQLBKOJSA-N 1 3 317.477 2.257 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CC2CCC2)CCN1C(=O)CN(C)C1CCC1 ZINC001044628628 691861513 /nfs/dbraw/zinc/86/15/13/691861513.db2.gz IQCXIVUUJAUQQL-HOCLYGCPSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC2CC2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001044742209 691880654 /nfs/dbraw/zinc/88/06/54/691880654.db2.gz GWZNLYIREWSWJX-ZBFHGGJFSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC2CCC2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001044744310 691881110 /nfs/dbraw/zinc/88/11/10/691881110.db2.gz OFZSKKDPJUCPTC-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]2C[NH2+]CC2CCCCC2)C1 ZINC001045200278 691951098 /nfs/dbraw/zinc/95/10/98/691951098.db2.gz SFMPFGGUNWQJCL-AEFFLSMTSA-N 1 3 321.509 2.489 20 0 DEADHO CN1CCN(CC[NH2+]C/C=C/c2cccc(F)c2)CC1(C)C ZINC000886104946 692004746 /nfs/dbraw/zinc/00/47/46/692004746.db2.gz OZXOGDCYXYLHRL-FNORWQNLSA-N 1 3 305.441 2.455 20 0 DEADHO CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001045944198 692058775 /nfs/dbraw/zinc/05/87/75/692058775.db2.gz ZNMSTCXTZMOQFB-AEFFLSMTSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001045944198 692058777 /nfs/dbraw/zinc/05/87/77/692058777.db2.gz ZNMSTCXTZMOQFB-AEFFLSMTSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CN[C@@H]1CC[N@@H+]3CCC[C@H]3C1)O2 ZINC000886335696 692060121 /nfs/dbraw/zinc/06/01/21/692060121.db2.gz GNUQPWOLXFFDKN-UCIFAOBLSA-N 1 3 308.466 2.175 20 0 DEADHO C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CN[C@@H]1CC[N@H+]3CCC[C@H]3C1)O2 ZINC000886335696 692060123 /nfs/dbraw/zinc/06/01/23/692060123.db2.gz GNUQPWOLXFFDKN-UCIFAOBLSA-N 1 3 308.466 2.175 20 0 DEADHO CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001045964365 692063480 /nfs/dbraw/zinc/06/34/80/692063480.db2.gz HLOLQHNXTWSQLC-SJLPKXTDSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001045964365 692063482 /nfs/dbraw/zinc/06/34/82/692063482.db2.gz HLOLQHNXTWSQLC-SJLPKXTDSA-N 1 3 309.498 2.297 20 0 DEADHO COCCN(Cc1ccc(C)c(C)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000886881312 692219984 /nfs/dbraw/zinc/21/99/84/692219984.db2.gz ZIKZTOFSHOXMDK-SFHVURJKSA-N 1 3 318.461 2.273 20 0 DEADHO CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001048607138 692657988 /nfs/dbraw/zinc/65/79/88/692657988.db2.gz NWBVEXDFWHQJLH-ULQDDVLXSA-N 1 3 309.498 2.391 20 0 DEADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@@H]2C1)C1CC1 ZINC001048863932 692713137 /nfs/dbraw/zinc/71/31/37/692713137.db2.gz QCTDTERIFHFZID-IXDOHACOSA-N 1 3 321.509 2.153 20 0 DEADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCC(C)(C)C)C[C@@H]2C1)C1CC1 ZINC001048863932 692713140 /nfs/dbraw/zinc/71/31/40/692713140.db2.gz QCTDTERIFHFZID-IXDOHACOSA-N 1 3 321.509 2.153 20 0 DEADHO CCC(CC)C[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001048875565 692714803 /nfs/dbraw/zinc/71/48/03/692714803.db2.gz CVAFIUYYPYUQBB-KSZLIROESA-N 1 3 323.525 2.399 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001048875565 692714806 /nfs/dbraw/zinc/71/48/06/692714806.db2.gz CVAFIUYYPYUQBB-KSZLIROESA-N 1 3 323.525 2.399 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@@H]2C1)N(C)C ZINC001048890089 692717808 /nfs/dbraw/zinc/71/78/08/692717808.db2.gz DSLSSTWWDUNRRV-OWCLPIDISA-N 1 3 309.498 2.153 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CCC(C)(C)C)C[C@@H]2C1)N(C)C ZINC001048890089 692717810 /nfs/dbraw/zinc/71/78/10/692717810.db2.gz DSLSSTWWDUNRRV-OWCLPIDISA-N 1 3 309.498 2.153 20 0 DEADHO CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049478983 692895402 /nfs/dbraw/zinc/89/54/02/692895402.db2.gz WIBJBFIRORAVJV-JKSUJKDBSA-N 1 3 307.482 2.336 20 0 DEADHO CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049478983 692895406 /nfs/dbraw/zinc/89/54/06/692895406.db2.gz WIBJBFIRORAVJV-JKSUJKDBSA-N 1 3 307.482 2.336 20 0 DEADHO CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001049531956 692914475 /nfs/dbraw/zinc/91/44/75/692914475.db2.gz FOSDHTHXDHNDLX-IKGGRYGDSA-N 1 3 309.498 2.438 20 0 DEADHO CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001049531956 692914476 /nfs/dbraw/zinc/91/44/76/692914476.db2.gz FOSDHTHXDHNDLX-IKGGRYGDSA-N 1 3 309.498 2.438 20 0 DEADHO COCCN(Cc1cnc(F)cc1C)CC1CC[NH+](C)CC1 ZINC000895692360 692998092 /nfs/dbraw/zinc/99/80/92/692998092.db2.gz QCHNXDZIZWXYEA-UHFFFAOYSA-N 1 3 309.429 2.319 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1 ZINC001050368037 693166722 /nfs/dbraw/zinc/16/67/22/693166722.db2.gz QWYQLMDTVXUCHO-DJIMGWMZSA-N 1 3 307.482 2.145 20 0 DEADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCCN1CCCCCC1=O ZINC000925510552 693286545 /nfs/dbraw/zinc/28/65/45/693286545.db2.gz WWWAYEXZOYTCSG-PVAVHDDUSA-N 1 3 307.482 2.145 20 0 DEADHO COc1ccc(C2(CN[C@H]3CCC[NH2+][C@H]3C)CCOCC2)cc1 ZINC000925564540 693298726 /nfs/dbraw/zinc/29/87/26/693298726.db2.gz SENLCZKFLBBIAI-YJBOKZPZSA-N 1 3 318.461 2.474 20 0 DEADHO CCN(CC)C(=O)CCC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925597288 693306527 /nfs/dbraw/zinc/30/65/27/693306527.db2.gz MOHDFVVBKFWJNR-IAGOWNOFSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@@H](c1ccncc1)N1CCC(N[C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925607408 693308302 /nfs/dbraw/zinc/30/83/02/693308302.db2.gz PIEIPLRKWFPJOL-WMLDXEAASA-N 1 3 302.466 2.337 20 0 DEADHO CCO[C@@H]1C[C@@H]([NH2+][C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)C12CCOCC2 ZINC000925642501 693315366 /nfs/dbraw/zinc/31/53/66/693315366.db2.gz UEKJBMJMYOPRLT-MTSZKFMLSA-N 1 3 322.493 2.327 20 0 DEADHO Cn1cncc1[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CCO1 ZINC000925652156 693317652 /nfs/dbraw/zinc/31/76/52/693317652.db2.gz CZCCAPHRDGFUFK-DRANZPFZSA-N 1 3 318.465 2.006 20 0 DEADHO Cn1cncc1[C@@H]1C[C@H](N[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCO1 ZINC000925652156 693317657 /nfs/dbraw/zinc/31/76/57/693317657.db2.gz CZCCAPHRDGFUFK-DRANZPFZSA-N 1 3 318.465 2.006 20 0 DEADHO O[C@@H](CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)Cc1ccccc1 ZINC000925671333 693322125 /nfs/dbraw/zinc/32/21/25/693322125.db2.gz PGBNMYLLJAHABO-CEXWTWQISA-N 1 3 302.462 2.348 20 0 DEADHO C(N[C@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCC2(CCC2)CO1 ZINC000925773873 693339322 /nfs/dbraw/zinc/33/93/22/693339322.db2.gz HMQJPBUMKRRARN-QZWWFDLISA-N 1 3 308.466 2.082 20 0 DEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCC2(CCOCC2)CO1 ZINC000925774958 693340254 /nfs/dbraw/zinc/34/02/54/693340254.db2.gz YUPULXMJJBEBRB-ULQDDVLXSA-N 1 3 310.482 2.459 20 0 DEADHO C[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc2c(c1)OCCO2 ZINC000925780038 693341276 /nfs/dbraw/zinc/34/12/76/693341276.db2.gz QUDAYCNLCZPBNO-DGCLKSJQSA-N 1 3 312.360 2.353 20 0 DEADHO C[C@@H](NCc1ccc(CN2CC[NH2+]CC2)cc1)c1ccncc1 ZINC000925808906 693345084 /nfs/dbraw/zinc/34/50/84/693345084.db2.gz NCADVGNXAQZVIE-MRXNPFEDSA-N 1 3 310.445 2.338 20 0 DEADHO O=C1O[C@H](CN[C@H]2CCc3ccc(F)cc32)CC12CC[NH2+]CC2 ZINC000925852217 693353285 /nfs/dbraw/zinc/35/32/85/693353285.db2.gz HGWLTRBOHHFINA-HOCLYGCPSA-N 1 3 318.392 2.088 20 0 DEADHO COC1(OC)CC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000926692728 693493606 /nfs/dbraw/zinc/49/36/06/693493606.db2.gz JKBFCHAUACZSNS-KRWDZBQOSA-N 1 3 319.449 2.035 20 0 DEADHO CC(C)(C(=O)N[C@H]1CCC[N@H+](CC2CC2)CC1)N1CCCC1 ZINC001052619806 693581007 /nfs/dbraw/zinc/58/10/07/693581007.db2.gz JEPQAXOXAIBDMP-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)(C(=O)N[C@H]1CCC[N@@H+](CC2CC2)CC1)N1CCCC1 ZINC001052619806 693581011 /nfs/dbraw/zinc/58/10/11/693581011.db2.gz JEPQAXOXAIBDMP-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO C[NH+]1CCC(C(=O)N[C@@H]2CCCN(C/C=C\Cl)CC2)CC1 ZINC001052680183 693594647 /nfs/dbraw/zinc/59/46/47/693594647.db2.gz HDNCJBYYPJDLDR-JBGNVSFKSA-N 1 3 313.873 2.051 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CCC[N@H+](CCC2CC2)CC1 ZINC001052713482 693602166 /nfs/dbraw/zinc/60/21/66/693602166.db2.gz YEQLBANBQZEHNX-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC001052713482 693602168 /nfs/dbraw/zinc/60/21/68/693602168.db2.gz YEQLBANBQZEHNX-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)C1)N(CC)CC ZINC001376067386 1159081556 /nfs/dbraw/zinc/08/15/56/1159081556.db2.gz CIIWHTVVEFGFEF-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001402245412 1162304482 /nfs/dbraw/zinc/30/44/82/1162304482.db2.gz VPAHPJPNBGBSDO-HZPDHXFCSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@H](CNCCC(=O)Nc2cccnc2)C1 ZINC001335397053 1150407157 /nfs/dbraw/zinc/40/71/57/1150407157.db2.gz CMDODVICXMOZBJ-CQSZACIVSA-N 1 3 304.438 2.120 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@H](CNCCC(=O)Nc2cccnc2)C1 ZINC001335397053 1150407166 /nfs/dbraw/zinc/40/71/66/1150407166.db2.gz CMDODVICXMOZBJ-CQSZACIVSA-N 1 3 304.438 2.120 20 0 DEADHO Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001379687139 1152673049 /nfs/dbraw/zinc/67/30/49/1152673049.db2.gz YDSRVDUNXDEFPZ-INIZCTEOSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1ccc(C[N@H+](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001379687139 1152673050 /nfs/dbraw/zinc/67/30/50/1152673050.db2.gz YDSRVDUNXDEFPZ-INIZCTEOSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001379742732 1152686474 /nfs/dbraw/zinc/68/64/74/1152686474.db2.gz MZCCKEHOGLKROR-SJORKVTESA-N 1 3 317.477 2.273 20 0 DEADHO Cc1ccc(C[N@H+](C)C[C@H](C)NC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001379742732 1152686476 /nfs/dbraw/zinc/68/64/76/1152686476.db2.gz MZCCKEHOGLKROR-SJORKVTESA-N 1 3 317.477 2.273 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C[NH2+]CC1CCC1)C(C)(C)C)N(C)C ZINC001380084763 1152748101 /nfs/dbraw/zinc/74/81/01/1152748101.db2.gz FWAQGNSCHSHZNN-CVEARBPZSA-N 1 3 311.514 2.493 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001362145837 1152834493 /nfs/dbraw/zinc/83/44/93/1152834493.db2.gz DAVYEJMHKZQHTM-VVLHAWIVSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001362145837 1152834496 /nfs/dbraw/zinc/83/44/96/1152834496.db2.gz DAVYEJMHKZQHTM-VVLHAWIVSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)N(C)C ZINC001380684568 1152844128 /nfs/dbraw/zinc/84/41/28/1152844128.db2.gz VZXMNIRSRWXYKS-YVSFHVDLSA-N 1 3 309.498 2.340 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)N(C)C ZINC001380684568 1152844130 /nfs/dbraw/zinc/84/41/30/1152844130.db2.gz VZXMNIRSRWXYKS-YVSFHVDLSA-N 1 3 309.498 2.340 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC001362423034 1152900866 /nfs/dbraw/zinc/90/08/66/1152900866.db2.gz JONHGSWYLYRRAK-DOTOQJQBSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC001362423034 1152900868 /nfs/dbraw/zinc/90/08/68/1152900868.db2.gz JONHGSWYLYRRAK-DOTOQJQBSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](C(C)C)N(C)C ZINC001402897121 1162523489 /nfs/dbraw/zinc/52/34/89/1162523489.db2.gz KFXVITYJVLXFOC-KURKYZTESA-N 1 3 317.477 2.353 20 0 DEADHO C[C@H](C(=O)NC[C@H](C)[N@H+](C)CCCF)N1CCCCCC1 ZINC001381585497 1153140537 /nfs/dbraw/zinc/14/05/37/1153140537.db2.gz DLENJDXUIQYCHV-LSDHHAIUSA-N 1 3 301.450 2.047 20 0 DEADHO C[C@H](C(=O)NC[C@H](C)[N@@H+](C)CCCF)N1CCCCCC1 ZINC001381585497 1153140548 /nfs/dbraw/zinc/14/05/48/1153140548.db2.gz DLENJDXUIQYCHV-LSDHHAIUSA-N 1 3 301.450 2.047 20 0 DEADHO C[C@H](CC[NH+](C)C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC001362968176 1153164503 /nfs/dbraw/zinc/16/45/03/1153164503.db2.gz DLVJCLDLMSMRGY-SOLBZPMBSA-N 1 3 317.477 2.353 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2)C1 ZINC001382335280 1153427455 /nfs/dbraw/zinc/42/74/55/1153427455.db2.gz ACRIROWKYGZMAK-ROUUACIJSA-N 1 3 317.477 2.403 20 0 DEADHO C[C@H](C[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1)CN1CCOCC1 ZINC001363806876 1153641778 /nfs/dbraw/zinc/64/17/78/1153641778.db2.gz SYKPVTVPKDSSBB-KURKYZTESA-N 1 3 323.525 2.197 20 0 DEADHO Cc1c[nH]c(=O)c(CNCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC001414124278 1154806502 /nfs/dbraw/zinc/80/65/02/1154806502.db2.gz YQRFTAZDMAPJMU-UHFFFAOYSA-N 1 3 315.417 2.326 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2C)C1 ZINC001389504647 1155356582 /nfs/dbraw/zinc/35/65/82/1155356582.db2.gz YQNNBLZILFATEZ-GOSISDBHSA-N 1 3 317.477 2.336 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2C)C1 ZINC001389504647 1155356584 /nfs/dbraw/zinc/35/65/84/1155356584.db2.gz YQNNBLZILFATEZ-GOSISDBHSA-N 1 3 317.477 2.336 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CC12CC[NH+](CC1CCC1)CC2)N(C)C ZINC001389532494 1155363412 /nfs/dbraw/zinc/36/34/12/1155363412.db2.gz SGQRZBYTQNJLPE-JKSUJKDBSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C1)N(C)C ZINC001390012815 1155499848 /nfs/dbraw/zinc/49/98/48/1155499848.db2.gz SVXGDMPCLJGZEE-SJWGOKEGSA-N 1 3 321.440 2.464 20 0 DEADHO CC[C@H](C(=O)NC1CCC([NH2+]C/C=C\Cl)CC1)N(C)C ZINC001390268123 1155616721 /nfs/dbraw/zinc/61/67/21/1155616721.db2.gz ZMMWDVZNFDVHIS-OPGFXSEJSA-N 1 3 301.862 2.096 20 0 DEADHO Cc1cc(C)cc(C[NH2+][C@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001390399919 1155701053 /nfs/dbraw/zinc/70/10/53/1155701053.db2.gz LYGLJLGRUMIOGG-MRXNPFEDSA-N 1 3 317.477 2.382 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001390508243 1155773698 /nfs/dbraw/zinc/77/36/98/1155773698.db2.gz KWJXPZAEONFVLN-XJKSGUPXSA-N 1 3 309.429 2.006 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC001371428475 1155851140 /nfs/dbraw/zinc/85/11/40/1155851140.db2.gz MPTAMPLOPGYLBH-YOEHRIQHSA-N 1 3 303.450 2.110 20 0 DEADHO C[C@H](c1ccccc1)[N@H+](C)CCNC(=O)CN(C)C1CCC1 ZINC001390766324 1155864021 /nfs/dbraw/zinc/86/40/21/1155864021.db2.gz UCMIAHNWURNOBR-OAHLLOKOSA-N 1 3 303.450 2.280 20 0 DEADHO C[C@H](c1ccccc1)[N@@H+](C)CCNC(=O)CN(C)C1CCC1 ZINC001390766324 1155864022 /nfs/dbraw/zinc/86/40/22/1155864022.db2.gz UCMIAHNWURNOBR-OAHLLOKOSA-N 1 3 303.450 2.280 20 0 DEADHO Cc1cc(C)c(CN(C)CCNC(=O)CC[NH+](C)C)c(C)c1 ZINC001390811796 1155879092 /nfs/dbraw/zinc/87/90/92/1155879092.db2.gz MOKSMHUMAKKXDN-UHFFFAOYSA-N 1 3 305.466 2.112 20 0 DEADHO Cc1cccc([C@@H](C)[N@H+](C)CCNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001390813766 1155879842 /nfs/dbraw/zinc/87/98/42/1155879842.db2.gz BVRRKRUDFAFMGP-IAGOWNOFSA-N 1 3 317.477 2.446 20 0 DEADHO Cc1cccc([C@@H](C)[N@@H+](C)CCNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001390813766 1155879844 /nfs/dbraw/zinc/87/98/44/1155879844.db2.gz BVRRKRUDFAFMGP-IAGOWNOFSA-N 1 3 317.477 2.446 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2nccs2)C1 ZINC001371656316 1155895926 /nfs/dbraw/zinc/89/59/26/1155895926.db2.gz CYXYFMYXBKDPLP-UONOGXRCSA-N 1 3 324.494 2.002 20 0 DEADHO C[C@H](C(=O)NC[C@@H]1CC[N@H+](CC2CCC2)C1)N1CCCCCC1 ZINC001391099267 1156110819 /nfs/dbraw/zinc/11/08/19/1156110819.db2.gz UKCUOZHTAFSNNP-AEFFLSMTSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](CC2CCC2)C1)N1CCCCCC1 ZINC001391099267 1156110827 /nfs/dbraw/zinc/11/08/27/1156110827.db2.gz UKCUOZHTAFSNNP-AEFFLSMTSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1)N(C)C ZINC001391102764 1156114544 /nfs/dbraw/zinc/11/45/44/1156114544.db2.gz DCKQIVIDNJZQSV-DOTOQJQBSA-N 1 3 321.440 2.104 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C1)N(C)C ZINC001391102764 1156114551 /nfs/dbraw/zinc/11/45/51/1156114551.db2.gz DCKQIVIDNJZQSV-DOTOQJQBSA-N 1 3 321.440 2.104 20 0 DEADHO CCN(CCNC(=O)CC[NH+](C)C)[C@@H]1CCc2c1cccc2F ZINC001372408308 1156393577 /nfs/dbraw/zinc/39/35/77/1156393577.db2.gz JRLJVTTTZZZSNL-QGZVFWFLSA-N 1 3 321.440 2.203 20 0 DEADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]CC1CCC1 ZINC001403166076 1162803095 /nfs/dbraw/zinc/80/30/95/1162803095.db2.gz NQFHFIFSLWNMTQ-CQSZACIVSA-N 1 3 303.450 2.256 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H](C)N(C)Cc1cccc(F)c1)[NH+](C)C ZINC001403173672 1162806112 /nfs/dbraw/zinc/80/61/12/1162806112.db2.gz VWNDGOHBLHHCCZ-RHSMWYFYSA-N 1 3 323.456 2.348 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[N@H+](C)CC1CC2(CCC2)C1 ZINC001403174933 1162806840 /nfs/dbraw/zinc/80/68/40/1162806840.db2.gz SAIJKLNVIKHREB-HOTGVXAUSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[N@@H+](C)CC1CC2(CCC2)C1 ZINC001403174933 1162806845 /nfs/dbraw/zinc/80/68/45/1162806845.db2.gz SAIJKLNVIKHREB-HOTGVXAUSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@@H](F)CNCc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001391838832 1156813761 /nfs/dbraw/zinc/81/37/61/1156813761.db2.gz TYTRRONRIVAEOM-IAGOWNOFSA-N 1 3 321.440 2.092 20 0 DEADHO CC[C@@H](F)CNCc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001391838832 1156813763 /nfs/dbraw/zinc/81/37/63/1156813763.db2.gz TYTRRONRIVAEOM-IAGOWNOFSA-N 1 3 321.440 2.092 20 0 DEADHO CCCN(C)CC(=O)NCCC1CC[NH+](C/C=C\Cl)CC1 ZINC001391847076 1156815578 /nfs/dbraw/zinc/81/55/78/1156815578.db2.gz JWZBHMQCDTZJGU-YWEYNIOJSA-N 1 3 315.889 2.299 20 0 DEADHO O=C(CCC[NH+]1CCCC1)NCCC1CCN(CCF)CC1 ZINC001391849880 1156816256 /nfs/dbraw/zinc/81/62/56/1156816256.db2.gz GDBDXAVPAUWNDE-UHFFFAOYSA-N 1 3 313.461 2.050 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001392103804 1156867587 /nfs/dbraw/zinc/86/75/87/1156867587.db2.gz GYXIPBZXCKZNQU-YOEHRIQHSA-N 1 3 323.456 2.411 20 0 DEADHO CC(C)[NH2+]CC[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001392177521 1156882853 /nfs/dbraw/zinc/88/28/53/1156882853.db2.gz ICUYAAYXQITTDK-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CC2CCC2)C1 ZINC001392187539 1156885208 /nfs/dbraw/zinc/88/52/08/1156885208.db2.gz IDBMXDVTAIKDGV-NVXWUHKLSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CCC(F)(F)F)C1)N(C)C ZINC001373290681 1156938786 /nfs/dbraw/zinc/93/87/86/1156938786.db2.gz NRKXEDBIFOFUKD-QWHCGFSZSA-N 1 3 323.403 2.059 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CCC(F)(F)F)C1)N(C)C ZINC001373290681 1156938801 /nfs/dbraw/zinc/93/88/01/1156938801.db2.gz NRKXEDBIFOFUKD-QWHCGFSZSA-N 1 3 323.403 2.059 20 0 DEADHO CCN(CC[NH2+]C(C)C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001392455261 1157053412 /nfs/dbraw/zinc/05/34/12/1157053412.db2.gz RUCAZDGLEGDUEY-INIZCTEOSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)N(C)CC(=O)NCC1C[NH+](CCCC2CCCC2)C1 ZINC001373559494 1157094977 /nfs/dbraw/zinc/09/49/77/1157094977.db2.gz IGLJZHBOJOWDGB-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH2+]C[C@H](C)NC(=O)CN(C)C(C)C ZINC001392621081 1157222954 /nfs/dbraw/zinc/22/29/54/1157222954.db2.gz ZGHVPHGNDXWHFG-JKSUJKDBSA-N 1 3 305.466 2.491 20 0 DEADHO Cc1cccc(C[N@@H+](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001392661990 1157309245 /nfs/dbraw/zinc/30/92/45/1157309245.db2.gz RIJMJHXAFYZMFQ-INIZCTEOSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1cccc(C[N@H+](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001392661990 1157309252 /nfs/dbraw/zinc/30/92/52/1157309252.db2.gz RIJMJHXAFYZMFQ-INIZCTEOSA-N 1 3 317.477 2.416 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CC1CC(F)(F)C1)N(C)C ZINC001392664086 1157312254 /nfs/dbraw/zinc/31/22/54/1157312254.db2.gz UOFLWGNICLQCPD-JSGCOSHPSA-N 1 3 319.440 2.054 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CC1CC(F)(F)C1)N(C)C ZINC001392664086 1157312259 /nfs/dbraw/zinc/31/22/59/1157312259.db2.gz UOFLWGNICLQCPD-JSGCOSHPSA-N 1 3 319.440 2.054 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCN1CC1CCC1)[NH+]1CCCC1 ZINC001392881989 1157506428 /nfs/dbraw/zinc/50/64/28/1157506428.db2.gz YUVYVFGSIONVCB-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)C1(C(=O)NCC2([NH2+]CC3CCCCC3)CC2)CCC1 ZINC001392910450 1157534755 /nfs/dbraw/zinc/53/47/55/1157534755.db2.gz DQRHELHOUPKALV-UHFFFAOYSA-N 1 3 307.482 2.289 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1[C@H]1CC[N@@H+](C(C)C)C1 ZINC001392963927 1157570751 /nfs/dbraw/zinc/57/07/51/1157570751.db2.gz RULCQPSLLOSJDN-IRXDYDNUSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1[C@H]1CC[N@H+](C(C)C)C1 ZINC001392963927 1157570758 /nfs/dbraw/zinc/57/07/58/1157570758.db2.gz RULCQPSLLOSJDN-IRXDYDNUSA-N 1 3 309.498 2.438 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1F)N(C)C ZINC001374083987 1157608881 /nfs/dbraw/zinc/60/88/81/1157608881.db2.gz PBNBKJSMSSQFPB-CZUORRHYSA-N 1 3 309.429 2.008 20 0 DEADHO C[C@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)NC/C(Cl)=C\Cl ZINC001403438940 1162882316 /nfs/dbraw/zinc/88/23/16/1162882316.db2.gz AUMDFDMLJPHYKZ-DDFCOYPESA-N 1 3 322.280 2.132 20 0 DEADHO C[C@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)NC/C(Cl)=C\Cl ZINC001403438940 1162882321 /nfs/dbraw/zinc/88/23/21/1162882321.db2.gz AUMDFDMLJPHYKZ-DDFCOYPESA-N 1 3 322.280 2.132 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1([NH2+]CC[C@H](C)F)CCCC1)N(C)C ZINC001374178421 1157693672 /nfs/dbraw/zinc/69/36/72/1157693672.db2.gz XHFKFFFPFHYTQU-GJZGRUSLSA-N 1 3 315.477 2.339 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@]1(C)CCC[N@H+](CC2CCC2)C1 ZINC001393198981 1157756593 /nfs/dbraw/zinc/75/65/93/1157756593.db2.gz DEIANFHEKCTYIJ-SFHVURJKSA-N 1 3 318.465 2.279 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@]1(C)CCC[N@@H+](CC2CCC2)C1 ZINC001393198981 1157756601 /nfs/dbraw/zinc/75/66/01/1157756601.db2.gz DEIANFHEKCTYIJ-SFHVURJKSA-N 1 3 318.465 2.279 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+]CCC1CCCC1 ZINC001403465525 1162891436 /nfs/dbraw/zinc/89/14/36/1162891436.db2.gz GBQWYMKXXOMTAP-CYBMUJFWSA-N 1 3 306.454 2.325 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001374272776 1157792662 /nfs/dbraw/zinc/79/26/62/1157792662.db2.gz ZJPFPPAIISJYSU-RHSMWYFYSA-N 1 3 321.440 2.165 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001393745381 1157945959 /nfs/dbraw/zinc/94/59/59/1157945959.db2.gz RBDMUUVHHQISPH-ZBFHGGJFSA-N 1 3 309.498 2.199 20 0 DEADHO CCN(CCN[C@H](C)c1ccccc1F)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374720892 1157979909 /nfs/dbraw/zinc/97/99/09/1157979909.db2.gz AACSXVXKEBHUPS-HUUCEWRRSA-N 1 3 321.440 2.277 20 0 DEADHO CCN(CCN[C@H](C)c1ccccc1F)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001374720892 1157979914 /nfs/dbraw/zinc/97/99/14/1157979914.db2.gz AACSXVXKEBHUPS-HUUCEWRRSA-N 1 3 321.440 2.277 20 0 DEADHO C[C@@H](CN(C)C/C=C\c1ccccc1)NC(=O)CC[NH+](C)C ZINC001375098232 1158313059 /nfs/dbraw/zinc/31/30/59/1158313059.db2.gz IPNRPRQPIHZOJK-CLOOOTJHSA-N 1 3 303.450 2.088 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)CCc1ccccc1F)N(C)C ZINC001394124761 1158317734 /nfs/dbraw/zinc/31/77/34/1158317734.db2.gz JWLBXZNCCXSYHN-RHSMWYFYSA-N 1 3 323.456 2.145 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CCc1ccccc1F)N(C)C ZINC001394124761 1158317743 /nfs/dbraw/zinc/31/77/43/1158317743.db2.gz JWLBXZNCCXSYHN-RHSMWYFYSA-N 1 3 323.456 2.145 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN(C)Cc1ccc(C)c(F)c1 ZINC001375129679 1158338767 /nfs/dbraw/zinc/33/87/67/1158338767.db2.gz SHGOVWCJVLKYSJ-OAHLLOKOSA-N 1 3 323.456 2.412 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN(C)Cc1ccc(C)c(F)c1 ZINC001375129679 1158338774 /nfs/dbraw/zinc/33/87/74/1158338774.db2.gz SHGOVWCJVLKYSJ-OAHLLOKOSA-N 1 3 323.456 2.412 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](CCCC2CCC2)C1)N(C)C ZINC001394244425 1158392778 /nfs/dbraw/zinc/39/27/78/1158392778.db2.gz CWGIKINGUPDPIM-YOEHRIQHSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CCC2CC2)CN1C(=O)CN(C)CC(C)(C)C ZINC001394671032 1158664250 /nfs/dbraw/zinc/66/42/50/1158664250.db2.gz OXVLJHVFTOUYPM-HOCLYGCPSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1C[C@H](NCCF)CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001394690984 1158682097 /nfs/dbraw/zinc/68/20/97/1158682097.db2.gz OFWUOGCOODVQCN-CABCVRRESA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H]1C[C@H](NCCF)CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001394690984 1158682104 /nfs/dbraw/zinc/68/21/04/1158682104.db2.gz OFWUOGCOODVQCN-CABCVRRESA-N 1 3 313.461 2.190 20 0 DEADHO CN(CC(=O)N(C)C1CC([NH2+]CC2CCC2)C1)CC(C)(C)C ZINC001394855690 1158815040 /nfs/dbraw/zinc/81/50/40/1158815040.db2.gz LWYOSILXMCIGSK-UHFFFAOYSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](C(C)C)C1 ZINC001375943508 1159010840 /nfs/dbraw/zinc/01/08/40/1159010840.db2.gz XVRGFODXELJKGO-SJLPKXTDSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@]1(C)CCC[N@H+](C(C)C)C1 ZINC001375943508 1159010849 /nfs/dbraw/zinc/01/08/49/1159010849.db2.gz XVRGFODXELJKGO-SJLPKXTDSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CC2CCC2)C1)N(CC)CC ZINC001376067386 1159081548 /nfs/dbraw/zinc/08/15/48/1159081548.db2.gz CIIWHTVVEFGFEF-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)NCc1ccsc1 ZINC001403569568 1163010434 /nfs/dbraw/zinc/01/04/34/1163010434.db2.gz XWDQKOCMOGUSGP-XJKSGUPXSA-N 1 3 321.490 2.026 20 0 DEADHO CC[C@H](C)C[NH+]1CCC2(C[C@H]2NC(=O)C2(N(C)C)CCC2)CC1 ZINC001376175337 1159191023 /nfs/dbraw/zinc/19/10/23/1159191023.db2.gz UUUWNTKKNGHRHH-JKSUJKDBSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1cccc(C)c1)C1CC1)N(C)C ZINC001376262394 1159300673 /nfs/dbraw/zinc/30/06/73/1159300673.db2.gz OVCUSSHVHDMDPA-MSOLQXFVSA-N 1 3 317.477 2.320 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CCC(F)(F)F)C1 ZINC001376352496 1159354272 /nfs/dbraw/zinc/35/42/72/1159354272.db2.gz YKELIROEBBXJSK-QWHCGFSZSA-N 1 3 323.403 2.107 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001376363367 1159361477 /nfs/dbraw/zinc/36/14/77/1159361477.db2.gz CSAWQZZSRMELAG-QAQDUYKDSA-N 1 3 315.461 2.216 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@@H](NCc2cncs2)C1)[NH+](CC)CC ZINC001376472939 1159459719 /nfs/dbraw/zinc/45/97/19/1159459719.db2.gz FRTVYPXETVRYSD-VNHYZAJKSA-N 1 3 324.494 2.000 20 0 DEADHO Cc1cccc(C[NH2+]C2(CNC(=O)CN(C)C(C)C)CCC2)c1 ZINC001376818161 1159812105 /nfs/dbraw/zinc/81/21/05/1159812105.db2.gz KFKJXILRLSOOCW-UHFFFAOYSA-N 1 3 317.477 2.464 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+]CCc1cccs1 ZINC001377097727 1159898171 /nfs/dbraw/zinc/89/81/71/1159898171.db2.gz OHAGVBHSLBZTED-GFCCVEGCSA-N 1 3 320.462 2.049 20 0 DEADHO CN1CCC[C@@H]1C(=O)NCC[N@H+](C)CCc1ccccc1Cl ZINC001377126367 1159932374 /nfs/dbraw/zinc/93/23/74/1159932374.db2.gz BWTOPJXQZBFMTC-MRXNPFEDSA-N 1 3 323.868 2.025 20 0 DEADHO CN1CCC[C@@H]1C(=O)NCC[N@@H+](C)CCc1ccccc1Cl ZINC001377126367 1159932389 /nfs/dbraw/zinc/93/23/89/1159932389.db2.gz BWTOPJXQZBFMTC-MRXNPFEDSA-N 1 3 323.868 2.025 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2F)C1)N(C)C ZINC001397101541 1159985005 /nfs/dbraw/zinc/98/50/05/1159985005.db2.gz SXXRANVNJOMGHH-LXZKKBNFSA-N 1 3 321.440 2.150 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1)N(C)C ZINC001397118187 1160001258 /nfs/dbraw/zinc/00/12/58/1160001258.db2.gz BEUJUTNKKZYGGJ-RBSFLKMASA-N 1 3 309.479 2.073 20 0 DEADHO CC[C@H](C)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001397177466 1160034256 /nfs/dbraw/zinc/03/42/56/1160034256.db2.gz UENFOSIOZBAYAU-AEGPPILISA-N 1 3 306.454 2.181 20 0 DEADHO C[C@H](c1ccc(F)cc1)N(C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001377217623 1160045720 /nfs/dbraw/zinc/04/57/20/1160045720.db2.gz XDYGDEBXHYBJMP-CQSZACIVSA-N 1 3 321.440 2.277 20 0 DEADHO C[N@H+](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)CC1CCC1 ZINC001403690612 1163092639 /nfs/dbraw/zinc/09/26/39/1163092639.db2.gz XKZXMUHYDRXMCX-KRWDZBQOSA-N 1 3 313.461 2.047 20 0 DEADHO C[N@@H+](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)CC1CCC1 ZINC001403690612 1163092650 /nfs/dbraw/zinc/09/26/50/1163092650.db2.gz XKZXMUHYDRXMCX-KRWDZBQOSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H](CCNC(=O)[C@@H]1CCCN1C)[NH2+]Cc1ccccc1Cl ZINC001377416984 1160346098 /nfs/dbraw/zinc/34/60/98/1160346098.db2.gz PBQUJGWYDIPGBR-BBRMVZONSA-N 1 3 323.868 2.419 20 0 DEADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]CC=C(Cl)Cl)N(C)C ZINC001377488529 1160421087 /nfs/dbraw/zinc/42/10/87/1160421087.db2.gz NGIGPVLQEBHXSC-QWRGUYRKSA-N 1 3 310.269 2.130 20 0 DEADHO CC(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001377638633 1160640093 /nfs/dbraw/zinc/64/00/93/1160640093.db2.gz JOPNFZCHFMSWAR-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001377638633 1160640105 /nfs/dbraw/zinc/64/01/05/1160640105.db2.gz JOPNFZCHFMSWAR-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CCC(C)(C)C ZINC001377661395 1160687889 /nfs/dbraw/zinc/68/78/89/1160687889.db2.gz YGGXXUSVEMLKIO-HZPDHXFCSA-N 1 3 309.498 2.440 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CCC(C)(C)C ZINC001377661395 1160687898 /nfs/dbraw/zinc/68/78/98/1160687898.db2.gz YGGXXUSVEMLKIO-HZPDHXFCSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C1CC[NH+](CCC2CC2)CC1)N(C)C ZINC001398205629 1160818819 /nfs/dbraw/zinc/81/88/19/1160818819.db2.gz WKQWLMICSSKROX-QGZVFWFLSA-N 1 3 309.498 2.296 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(F)c3)C2)CCC1 ZINC001398543312 1160961871 /nfs/dbraw/zinc/96/18/71/1160961871.db2.gz WDUFPQXJKNFPPB-WKILWMFISA-N 1 3 319.424 2.047 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC001398564425 1160981648 /nfs/dbraw/zinc/98/16/48/1160981648.db2.gz UKXDBXPWYHNPKI-BPLDGKMQSA-N 1 3 306.454 2.180 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)C/C=C/c1ccccc1)N(C)C ZINC001378129666 1161040213 /nfs/dbraw/zinc/04/02/13/1161040213.db2.gz KFNXFTDMSBEIGU-RNQQZGMQSA-N 1 3 317.477 2.477 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)C/C=C/c1ccccc1)N(C)C ZINC001378129666 1161040221 /nfs/dbraw/zinc/04/02/21/1161040221.db2.gz KFNXFTDMSBEIGU-RNQQZGMQSA-N 1 3 317.477 2.477 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001398674898 1161050639 /nfs/dbraw/zinc/05/06/39/1161050639.db2.gz BVLZPFJPXJUPCJ-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CCC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001398674898 1161050647 /nfs/dbraw/zinc/05/06/47/1161050647.db2.gz BVLZPFJPXJUPCJ-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1cccc(F)c1)N(C)C ZINC001398943090 1161160959 /nfs/dbraw/zinc/16/09/59/1161160959.db2.gz KEBONYUGRYCEKK-CJNGLKHVSA-N 1 3 309.429 2.006 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCc2ccc(C)cc2)C1 ZINC001399227933 1161291849 /nfs/dbraw/zinc/29/18/49/1161291849.db2.gz HNSZVWSWWAHAMH-SFHVURJKSA-N 1 3 317.477 2.070 20 0 DEADHO CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)NCC=C(Cl)Cl ZINC001400913792 1161845354 /nfs/dbraw/zinc/84/53/54/1161845354.db2.gz BVJYNCJKNJKDHW-WCQYABFASA-N 1 3 324.296 2.376 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCCC1 ZINC001401108508 1161875141 /nfs/dbraw/zinc/87/51/41/1161875141.db2.gz MWSVRNWUUHBDDO-DOTOQJQBSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001401244045 1161902864 /nfs/dbraw/zinc/90/28/64/1161902864.db2.gz RHUIQVRPTZQTOE-CJNGLKHVSA-N 1 3 309.429 2.102 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CC2CCC2)C1 ZINC001401281835 1161914658 /nfs/dbraw/zinc/91/46/58/1161914658.db2.gz AYIMIHHGRPHWJL-DOTOQJQBSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+](C)CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001401305322 1161922038 /nfs/dbraw/zinc/92/20/38/1161922038.db2.gz BKRDSGWPMZEMMW-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001401305322 1161922042 /nfs/dbraw/zinc/92/20/42/1161922042.db2.gz BKRDSGWPMZEMMW-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CCC1CC1 ZINC001401341891 1161939162 /nfs/dbraw/zinc/93/91/62/1161939162.db2.gz UMDMCHHNAMDNRU-MRXNPFEDSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)[C@H](C(=O)N(C)CC[N@H+](C)CCc1ccccc1)N(C)C ZINC001401389538 1161968702 /nfs/dbraw/zinc/96/87/02/1161968702.db2.gz RQCPDHMVCYBYMN-GOSISDBHSA-N 1 3 319.493 2.206 20 0 DEADHO CC(C)[C@H](C(=O)N(C)CC[N@@H+](C)CCc1ccccc1)N(C)C ZINC001401389538 1161968706 /nfs/dbraw/zinc/96/87/06/1161968706.db2.gz RQCPDHMVCYBYMN-GOSISDBHSA-N 1 3 319.493 2.206 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)CN2CC[C@@H](C)C2)cc1F ZINC001401649509 1162059372 /nfs/dbraw/zinc/05/93/72/1162059372.db2.gz XHKSOXXTQABVNS-UKRRQHHQSA-N 1 3 321.440 2.070 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]C[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001401704762 1162084005 /nfs/dbraw/zinc/08/40/05/1162084005.db2.gz DAQHVQGGCXJLAS-HIFRSBDPSA-N 1 3 321.440 2.070 20 0 DEADHO Cc1ccc(C)c(C[NH2+]C[C@H](C)NC(=O)CN2CC[C@@H](C)C2)c1 ZINC001401707409 1162085167 /nfs/dbraw/zinc/08/51/67/1162085167.db2.gz KZTXQCJLKMDOBL-WBVHZDCISA-N 1 3 317.477 2.240 20 0 DEADHO Cc1cccc(C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001401718263 1162089813 /nfs/dbraw/zinc/08/98/13/1162089813.db2.gz ODHVGWJLUIIMHP-RDJZCZTQSA-N 1 3 305.466 2.176 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)CN(C)Cc1ccc(F)cc1)[NH+](C)C ZINC001401786632 1162131162 /nfs/dbraw/zinc/13/11/62/1162131162.db2.gz WBWGYSLEWZJIGM-WMLDXEAASA-N 1 3 323.456 2.348 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CC(C)C2)CC1 ZINC001401951339 1162193946 /nfs/dbraw/zinc/19/39/46/1162193946.db2.gz OEMDNWAGVYGZAU-UYSNPLJNSA-N 1 3 307.482 2.145 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)NCC2(NCc3cccc(Cl)c3)CC2)C1 ZINC001401985211 1162207697 /nfs/dbraw/zinc/20/76/97/1162207697.db2.gz NSYWDJCVKVEGCN-AWEZNQCLSA-N 1 3 321.852 2.030 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)NCC2(NCc3cccc(Cl)c3)CC2)C1 ZINC001401985211 1162207700 /nfs/dbraw/zinc/20/77/00/1162207700.db2.gz NSYWDJCVKVEGCN-AWEZNQCLSA-N 1 3 321.852 2.030 20 0 DEADHO Cc1cccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN(C)C(C)C)c1 ZINC001402082424 1162240153 /nfs/dbraw/zinc/24/01/53/1162240153.db2.gz UEHNBLANNYITMB-SFHVURJKSA-N 1 3 317.477 2.416 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1C[C@H](NC/C=C\Cl)C(C)(C)C1 ZINC001403829016 1163236117 /nfs/dbraw/zinc/23/61/17/1163236117.db2.gz QCALQQRDLJOAMP-QPBFKRLHSA-N 1 3 315.889 2.297 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](NC/C=C\Cl)C(C)(C)C1 ZINC001403829016 1163236129 /nfs/dbraw/zinc/23/61/29/1163236129.db2.gz QCALQQRDLJOAMP-QPBFKRLHSA-N 1 3 315.889 2.297 20 0 DEADHO CC(C)CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001404100871 1163444473 /nfs/dbraw/zinc/44/44/73/1163444473.db2.gz WLKXNIZMYKYNDR-IAGOWNOFSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)CCC[N@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001404100871 1163444480 /nfs/dbraw/zinc/44/44/80/1163444480.db2.gz WLKXNIZMYKYNDR-IAGOWNOFSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@H]1CC[N@H+](CC2CCC2)C1)N(C)C ZINC001404530167 1163698610 /nfs/dbraw/zinc/69/86/10/1163698610.db2.gz KUUXAUOHXJOAPY-IRXDYDNUSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@H]1CC[N@@H+](CC2CCC2)C1)N(C)C ZINC001404530167 1163698612 /nfs/dbraw/zinc/69/86/12/1163698612.db2.gz KUUXAUOHXJOAPY-IRXDYDNUSA-N 1 3 309.498 2.201 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC[C@H]2CC[N@H+](CCF)C2)c1 ZINC001404539565 1163701066 /nfs/dbraw/zinc/70/10/66/1163701066.db2.gz BVVJIMYKTMSQQS-HNNXBMFYSA-N 1 3 321.440 2.160 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC[C@H]2CC[N@@H+](CCF)C2)c1 ZINC001404539565 1163701068 /nfs/dbraw/zinc/70/10/68/1163701068.db2.gz BVVJIMYKTMSQQS-HNNXBMFYSA-N 1 3 321.440 2.160 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CCC2CC2)C1)N(C)C ZINC001404586305 1163725629 /nfs/dbraw/zinc/72/56/29/1163725629.db2.gz FHAIKLNITUEYJQ-DLBZAZTESA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CCC2CC2)C1)N(C)C ZINC001404586305 1163725634 /nfs/dbraw/zinc/72/56/34/1163725634.db2.gz FHAIKLNITUEYJQ-DLBZAZTESA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@](C)(C[NH2+]CC1CCCC1)C1CC1 ZINC001405471192 1164108892 /nfs/dbraw/zinc/10/88/92/1164108892.db2.gz GCILLYYWITVPKF-SFHVURJKSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@@H](C(C)C)N(C)C)CCCC1 ZINC001405753753 1164221746 /nfs/dbraw/zinc/22/17/46/1164221746.db2.gz KSOQEHFZAZCADK-HUUCEWRRSA-N 1 3 315.477 2.339 20 0 DEADHO CN(CC[N@H+](C)CCCc1ccccc1)C(=O)CN1CCCC1 ZINC001406161930 1164485960 /nfs/dbraw/zinc/48/59/60/1164485960.db2.gz CBIVVBRHQUNURZ-UHFFFAOYSA-N 1 3 317.477 2.105 20 0 DEADHO CN(CC[N@@H+](C)CCCc1ccccc1)C(=O)CN1CCCC1 ZINC001406161930 1164485968 /nfs/dbraw/zinc/48/59/68/1164485968.db2.gz CBIVVBRHQUNURZ-UHFFFAOYSA-N 1 3 317.477 2.105 20 0 DEADHO Cc1ccc(F)c(CNC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001406397806 1164567566 /nfs/dbraw/zinc/56/75/66/1164567566.db2.gz VVCYLLAGUORVTD-RHSMWYFYSA-N 1 3 323.456 2.315 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1cccc(F)c1)N(C)C ZINC001406422201 1164586715 /nfs/dbraw/zinc/58/67/15/1164586715.db2.gz ORIWKLWTZMWSBT-CJNGLKHVSA-N 1 3 309.429 2.006 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@]1(C)CCCN(Cc2ccsc2)C1 ZINC001407297523 1165094315 /nfs/dbraw/zinc/09/43/15/1165094315.db2.gz LPBSAESYNVDAIZ-KRWDZBQOSA-N 1 3 323.506 2.418 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]CCC2CC2)CCC1 ZINC001407776619 1165303061 /nfs/dbraw/zinc/30/30/61/1165303061.db2.gz OESLSZFWQQSOCK-INIZCTEOSA-N 1 3 307.482 2.288 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001408020202 1165436024 /nfs/dbraw/zinc/43/60/24/1165436024.db2.gz ZWLSQRLIWSDPNK-LJQANCHMSA-N 1 3 321.509 2.443 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001408020202 1165436027 /nfs/dbraw/zinc/43/60/27/1165436027.db2.gz ZWLSQRLIWSDPNK-LJQANCHMSA-N 1 3 321.509 2.443 20 0 DEADHO CC(C)CC[C@H](O)CN1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001414070816 1165703126 /nfs/dbraw/zinc/70/31/26/1165703126.db2.gz XMCJQVKVJURPSV-KRWDZBQOSA-N 1 3 312.498 2.096 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]([NH2+]CC1CCCCC1)C1CC1 ZINC001418009640 1167360221 /nfs/dbraw/zinc/36/02/21/1167360221.db2.gz FXPDOUQYJNNXAQ-KRWDZBQOSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C)c2)C1)N(C)C ZINC001418072242 1167395154 /nfs/dbraw/zinc/39/51/54/1167395154.db2.gz WFLNAYNOESCNTI-BRWVUGGUSA-N 1 3 303.450 2.072 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CC1)N(C)C ZINC001418166430 1167454858 /nfs/dbraw/zinc/45/48/58/1167454858.db2.gz WFUPGEPVSLRPHV-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1 ZINC001418220685 1167499824 /nfs/dbraw/zinc/49/98/24/1167499824.db2.gz JRPGKAOGIASTME-RDJZCZTQSA-N 1 3 303.450 2.154 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001418347503 1167589034 /nfs/dbraw/zinc/58/90/34/1167589034.db2.gz HOVKQYLPAOOMKO-MRXNPFEDSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@@H](c1ccccc1)N(C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001418491588 1167705274 /nfs/dbraw/zinc/70/52/74/1167705274.db2.gz ATTBRISBGJBOJG-HNNXBMFYSA-N 1 3 303.450 2.137 20 0 DEADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1ccc(F)cc1 ZINC001418549006 1167805072 /nfs/dbraw/zinc/80/50/72/1167805072.db2.gz RXBPUYQKXNBYNU-RHSMWYFYSA-N 1 3 321.440 2.104 20 0 DEADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1ccc(F)cc1 ZINC001418549006 1167805075 /nfs/dbraw/zinc/80/50/75/1167805075.db2.gz RXBPUYQKXNBYNU-RHSMWYFYSA-N 1 3 321.440 2.104 20 0 DEADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccc(Cl)cc1 ZINC001418576644 1167823631 /nfs/dbraw/zinc/82/36/31/1167823631.db2.gz VLXWPPOPGNRPSR-OAHLLOKOSA-N 1 3 323.868 2.230 20 0 DEADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccc(Cl)cc1 ZINC001418576644 1167823635 /nfs/dbraw/zinc/82/36/35/1167823635.db2.gz VLXWPPOPGNRPSR-OAHLLOKOSA-N 1 3 323.868 2.230 20 0 DEADHO CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001418730970 1167922643 /nfs/dbraw/zinc/92/26/43/1167922643.db2.gz DFSRXEBFQGGZEQ-JJRVBVJISA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)(C(=O)NCC1CN(Cc2ccccc2)C1)[NH+]1CCCC1 ZINC001419024642 1168140008 /nfs/dbraw/zinc/14/00/08/1168140008.db2.gz QEFLXYIPNIXBJP-UHFFFAOYSA-N 1 3 315.461 2.109 20 0 DEADHO CC[C@@H](C)C[NH+]1CC(CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001419032900 1168147050 /nfs/dbraw/zinc/14/70/50/1168147050.db2.gz XCFCXIYCRJLXHM-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C)C[NH+]1CC(CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001419032901 1168147559 /nfs/dbraw/zinc/14/75/59/1168147559.db2.gz XCFCXIYCRJLXHM-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1cc(CN2CC[C@H](NC(=O)CCC[NH+](C)C)C2)c(C)s1 ZINC001419062031 1168168468 /nfs/dbraw/zinc/16/84/68/1168168468.db2.gz BKUBFAIGSDIDKS-INIZCTEOSA-N 1 3 323.506 2.397 20 0 DEADHO CC[C@H](CNC(=O)[C@@H](CC)N(C)C)[NH2+]Cc1ccc(F)cc1C ZINC001419229116 1168330619 /nfs/dbraw/zinc/33/06/19/1168330619.db2.gz YOMSJKVIKAKDLM-IAGOWNOFSA-N 1 3 323.456 2.459 20 0 DEADHO CC[C@@H](C)C[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001419337025 1168409204 /nfs/dbraw/zinc/40/92/04/1168409204.db2.gz QPNGRWGNJQLBCE-CABCVRRESA-N 1 3 306.454 2.169 20 0 DEADHO CC[C@@H](C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001419337025 1168409211 /nfs/dbraw/zinc/40/92/11/1168409211.db2.gz QPNGRWGNJQLBCE-CABCVRRESA-N 1 3 306.454 2.169 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]([NH2+]Cc2ccccc2)C1 ZINC001419364920 1168424738 /nfs/dbraw/zinc/42/47/38/1168424738.db2.gz AQKWRTUHDCYAQT-IRXDYDNUSA-N 1 3 321.440 2.057 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001419418519 1168459681 /nfs/dbraw/zinc/45/96/81/1168459681.db2.gz LSPLNZFBEOYGOA-KZNAEPCWSA-N 1 3 317.477 2.318 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN(C)C(C)C)C2)cc1C ZINC001419432925 1168470257 /nfs/dbraw/zinc/47/02/57/1168470257.db2.gz RGEYQEKWAMQOOD-IYARVYRRSA-N 1 3 317.477 2.380 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1)N(C)C ZINC001419529914 1168577647 /nfs/dbraw/zinc/57/76/47/1168577647.db2.gz RLENAEOIHARQPF-NVXWUHKLSA-N 1 3 305.466 2.115 20 0 DEADHO Cn1nccc1[C@H]1OCC[C@H]1[NH2+]C1CCN(C(C)(C)C)CC1 ZINC001548390151 1168594251 /nfs/dbraw/zinc/59/42/51/1168594251.db2.gz KRWZAIGWHBQSNR-ZBFHGGJFSA-N 1 3 306.454 2.103 20 0 DEADHO C[C@@H](C[NH2+]CC1CCCCC1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001419714451 1168815827 /nfs/dbraw/zinc/81/58/27/1168815827.db2.gz GDXANZCMFUWVKL-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]C/C=C/c1ccccc1)N(C)C ZINC001419777553 1168842019 /nfs/dbraw/zinc/84/20/19/1168842019.db2.gz SYFWBLUPYNLLFD-FMUPAYBXSA-N 1 3 303.450 2.134 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001420010806 1169059319 /nfs/dbraw/zinc/05/93/19/1169059319.db2.gz CADWPEPRERQQGN-WNFXYAGKSA-N 1 3 301.862 2.098 20 0 DEADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CC=C(Cl)Cl ZINC001420103977 1169163464 /nfs/dbraw/zinc/16/34/64/1169163464.db2.gz XUIHHZGXLQZXQM-LLVKDONJSA-N 1 3 322.280 2.274 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001420441276 1169558357 /nfs/dbraw/zinc/55/83/57/1169558357.db2.gz YYUIQJIDBPYPSN-AWEZNQCLSA-N 1 3 321.440 2.213 20 0 DEADHO C[C@H]([NH2+]CCN(C)C(=O)C1(N(C)C)CCC1)c1ccc(F)cc1 ZINC001420728860 1171089733 /nfs/dbraw/zinc/08/97/33/1171089733.db2.gz LEVSDBVTYJTBQL-AWEZNQCLSA-N 1 3 321.440 2.419 20 0 DEADHO CC(C)[C@H](C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CC1)N(C)C ZINC001420980132 1171397846 /nfs/dbraw/zinc/39/78/46/1171397846.db2.gz ZHOXLOXPBVWSQD-OAHLLOKOSA-N 1 3 309.498 2.247 20 0 DEADHO C[NH+](C)Cc1cccc(C(=O)NCC2(NC/C=C\Cl)CC2)c1 ZINC001421008164 1171424007 /nfs/dbraw/zinc/42/40/07/1171424007.db2.gz WZVLGLCLSXBIHL-WTKPLQERSA-N 1 3 321.852 2.353 20 0 DEADHO CCC(CC)C[NH2+]C[C@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001421130401 1171517226 /nfs/dbraw/zinc/51/72/26/1171517226.db2.gz QMLJFCVQMQZEPA-NVXWUHKLSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)NCc1ccc(C[NH2+]CC(C)C)cc1)N(C)C ZINC001421613364 1171868283 /nfs/dbraw/zinc/86/82/83/1171868283.db2.gz ZNAKBWLRNUGDLA-KRWDZBQOSA-N 1 3 305.466 2.389 20 0 DEADHO Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)Cc2nc[nH]c2C)cs1 ZINC001421769431 1171981049 /nfs/dbraw/zinc/98/10/49/1171981049.db2.gz MHYJWSYFCBEDST-LLVKDONJSA-N 1 3 320.462 2.173 20 0 DEADHO C[NH+](C)CCCC(=O)NCC1(NCc2cncs2)CCCC1 ZINC001421842795 1172038050 /nfs/dbraw/zinc/03/80/50/1172038050.db2.gz WOPXPYCZPZYGNK-UHFFFAOYSA-N 1 3 324.494 2.004 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001422042468 1172250776 /nfs/dbraw/zinc/25/07/76/1172250776.db2.gz DXSPECXOMQMELG-WMLDXEAASA-N 1 3 321.440 2.104 20 0 DEADHO Cc1ccccc1CN(C)CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001422235364 1172423100 /nfs/dbraw/zinc/42/31/00/1172423100.db2.gz ZHVOWHGZAMUCHA-QGZVFWFLSA-N 1 3 317.477 2.227 20 0 DEADHO Cc1ccccc1CN(C)CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001422235364 1172423104 /nfs/dbraw/zinc/42/31/04/1172423104.db2.gz ZHVOWHGZAMUCHA-QGZVFWFLSA-N 1 3 317.477 2.227 20 0 DEADHO Cc1ccc(F)c(CN[C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001422386238 1172540924 /nfs/dbraw/zinc/54/09/24/1172540924.db2.gz NBBGWJONZJRCDH-ZIAGYGMSSA-N 1 3 309.429 2.069 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)NC(=O)CN(C)C(C)C)c(C)c1 ZINC001422757646 1172845361 /nfs/dbraw/zinc/84/53/61/1172845361.db2.gz BNLSIMSZZTWDFN-INIZCTEOSA-N 1 3 305.466 2.238 20 0 DEADHO CN1C[C@@H]2CC[C@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001422973897 1172989089 /nfs/dbraw/zinc/98/90/89/1172989089.db2.gz PYLBNQSIMQEXPV-IHRRRGAJSA-N 1 3 311.470 2.220 20 0 DEADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc4c(c3)CCC(=O)N4C)[C@@H]2C1 ZINC001422975368 1172990797 /nfs/dbraw/zinc/99/07/97/1172990797.db2.gz WQYPSGIRLJFSMN-GVDBMIGSSA-N 1 3 313.445 2.025 20 0 DEADHO C[C@@H](F)CC[NH2+]C1(CNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001423306717 1173222632 /nfs/dbraw/zinc/22/26/32/1173222632.db2.gz JLGYNOYGABYZMZ-CQSZACIVSA-N 1 3 321.440 2.348 20 0 DEADHO C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCCN1Cc1ccccc1 ZINC001423377053 1173315653 /nfs/dbraw/zinc/31/56/53/1173315653.db2.gz WFZXZXUTPTZOJO-NVXWUHKLSA-N 1 3 303.450 2.107 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001423416746 1173338692 /nfs/dbraw/zinc/33/86/92/1173338692.db2.gz KPMZMQRXJVCQBR-HOCLYGCPSA-N 1 3 323.506 2.464 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[N@H+](C)CC[C@H](C)F ZINC001424338971 1173765567 /nfs/dbraw/zinc/76/55/67/1173765567.db2.gz IBDGQBHEYPAGCE-JKSUJKDBSA-N 1 3 315.477 2.389 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[N@@H+](C)CC[C@H](C)F ZINC001424338971 1173765570 /nfs/dbraw/zinc/76/55/70/1173765570.db2.gz IBDGQBHEYPAGCE-JKSUJKDBSA-N 1 3 315.477 2.389 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CCc1cccs1 ZINC001424862617 1173996397 /nfs/dbraw/zinc/99/63/97/1173996397.db2.gz VCTAVSUJZKRGGH-UONOGXRCSA-N 1 3 311.495 2.114 20 0 DEADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)N(C)Cc1ccccc1 ZINC001424958105 1174058934 /nfs/dbraw/zinc/05/89/34/1174058934.db2.gz AXCQFRPSJYMNPA-WMZOPIPTSA-N 1 3 317.477 2.498 20 0 DEADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)N(C)Cc1ccccc1 ZINC001424958105 1174058946 /nfs/dbraw/zinc/05/89/46/1174058946.db2.gz AXCQFRPSJYMNPA-WMZOPIPTSA-N 1 3 317.477 2.498 20 0 DEADHO CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]21 ZINC001425917655 1174512158 /nfs/dbraw/zinc/51/21/58/1174512158.db2.gz IORRPIYTZODKSM-OWCLPIDISA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@H](NC(=O)Cc1nc[nH]c1C)C(C)(C)C ZINC001426144653 1174615740 /nfs/dbraw/zinc/61/57/40/1174615740.db2.gz GSGMLVHNXHYXIG-DOMZBBRYSA-N 1 3 308.470 2.427 20 0 DEADHO COCC[C@@H](N)C[NH+]1CCC(CCC(=O)OC(C)(C)C)CC1 ZINC001579002980 1177410566 /nfs/dbraw/zinc/41/05/66/1177410566.db2.gz WFKSULLSAIVTLU-OAHLLOKOSA-N 1 3 314.470 2.184 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001433758700 1177978108 /nfs/dbraw/zinc/97/81/08/1177978108.db2.gz CYWHWBVJBRYKLO-AWEZNQCLSA-N 1 3 314.433 2.287 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001433758700 1177978114 /nfs/dbraw/zinc/97/81/14/1177978114.db2.gz CYWHWBVJBRYKLO-AWEZNQCLSA-N 1 3 314.433 2.287 20 0 DEADHO CC(C)[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCN1 ZINC001434435733 1178542375 /nfs/dbraw/zinc/54/23/75/1178542375.db2.gz APZXAWJHBBJGCF-KSZLIROESA-N 1 3 315.461 2.136 20 0 DEADHO CC(C)[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CCN1 ZINC001434435733 1178542395 /nfs/dbraw/zinc/54/23/95/1178542395.db2.gz APZXAWJHBBJGCF-KSZLIROESA-N 1 3 315.461 2.136 20 0 DEADHO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)c(C)c1OC ZINC001434519080 1178744270 /nfs/dbraw/zinc/74/42/70/1178744270.db2.gz XHOHIFYKDQKFOK-BZUAXINKSA-N 1 3 304.434 2.442 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001436910415 1179299210 /nfs/dbraw/zinc/29/92/10/1179299210.db2.gz GODQEBFBHFFTKM-JYJNAYRXSA-N 1 3 307.482 2.144 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCCN(Cc2ccsc2)C1 ZINC001436992662 1179337669 /nfs/dbraw/zinc/33/76/69/1179337669.db2.gz BSJNXJZZDAGEOK-HNNXBMFYSA-N 1 3 323.506 2.418 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN(Cc2ccsc2)C1 ZINC001436992662 1179337679 /nfs/dbraw/zinc/33/76/79/1179337679.db2.gz BSJNXJZZDAGEOK-HNNXBMFYSA-N 1 3 323.506 2.418 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001437063892 1179384721 /nfs/dbraw/zinc/38/47/21/1179384721.db2.gz KZWKTCWIGBWSBS-DOTOQJQBSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001437063892 1179384730 /nfs/dbraw/zinc/38/47/30/1179384730.db2.gz KZWKTCWIGBWSBS-DOTOQJQBSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCc1ccccc1 ZINC001437135786 1179467538 /nfs/dbraw/zinc/46/75/38/1179467538.db2.gz UMDRYZJQRXWNIB-SJLPKXTDSA-N 1 3 317.477 2.196 20 0 DEADHO CN(CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)Cc1ccccc1 ZINC001437542786 1179841456 /nfs/dbraw/zinc/84/14/56/1179841456.db2.gz VDLAYLQOTWLFIE-MSOLQXFVSA-N 1 3 317.477 2.355 20 0 DEADHO CC[N@H+](CCNC(=O)[C@@H]1CCCCN1C(C)C)CC1CCC1 ZINC001437626295 1179868884 /nfs/dbraw/zinc/86/88/84/1179868884.db2.gz SLWYJVXHOPOTPC-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@@H+](CCNC(=O)[C@@H]1CCCCN1C(C)C)CC1CCC1 ZINC001437626295 1179868885 /nfs/dbraw/zinc/86/88/85/1179868885.db2.gz SLWYJVXHOPOTPC-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC[N@H+](CC1CCC1)C1CC1 ZINC001437811365 1180008706 /nfs/dbraw/zinc/00/87/06/1180008706.db2.gz HFKJDKUHYMSMNV-GJZGRUSLSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC[N@@H+](CC1CCC1)C1CC1 ZINC001437811365 1180008714 /nfs/dbraw/zinc/00/87/14/1180008714.db2.gz HFKJDKUHYMSMNV-GJZGRUSLSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1C[NH+](CCCC2CCC2)C1 ZINC001438157511 1180219656 /nfs/dbraw/zinc/21/96/56/1180219656.db2.gz JQHQOGXFZOCJJC-HOTGVXAUSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](C[NH2+][C@H](C)c1cccc(F)c1)N(C)C(=O)CN1CCCC1 ZINC001438725746 1180795672 /nfs/dbraw/zinc/79/56/72/1180795672.db2.gz WLSSQBBQHLWQAG-HUUCEWRRSA-N 1 3 321.440 2.419 20 0 DEADHO CC(C)[C@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]C/C=C/Cl ZINC001438841417 1180828343 /nfs/dbraw/zinc/82/83/43/1180828343.db2.gz NIUGZXWXRRZWHU-SWICKSTGSA-N 1 3 303.878 2.056 20 0 DEADHO CCc1ccccc1C[NH2+]C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001439219582 1180946902 /nfs/dbraw/zinc/94/69/02/1180946902.db2.gz AZESHAAAQOBHPH-HNNXBMFYSA-N 1 3 317.477 2.328 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1cccc(F)c1 ZINC001439274544 1180984312 /nfs/dbraw/zinc/98/43/12/1180984312.db2.gz NXIDKMNYSGGJCZ-KBPBESRZSA-N 1 3 309.429 2.323 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]C/C=C\Cl)CCC1 ZINC001440356346 1181463528 /nfs/dbraw/zinc/46/35/28/1181463528.db2.gz PLKUXNRICPJDQE-GDUOHQDYSA-N 1 3 313.873 2.240 20 0 DEADHO CC[C@H](F)CN(C)CCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001440476596 1181543020 /nfs/dbraw/zinc/54/30/20/1181543020.db2.gz YXHCFGBASYOVGS-INIZCTEOSA-N 1 3 315.477 2.247 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]([C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC001440750127 1181674517 /nfs/dbraw/zinc/67/45/17/1181674517.db2.gz PKUJSHBEKFSKSY-DLBZAZTESA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]([C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC001440750127 1181674520 /nfs/dbraw/zinc/67/45/20/1181674520.db2.gz PKUJSHBEKFSKSY-DLBZAZTESA-N 1 3 309.498 2.296 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H](C)[NH2+]Cc1ccccc1F ZINC001440801203 1181699326 /nfs/dbraw/zinc/69/93/26/1181699326.db2.gz SHLHSYXUBFTHIZ-ZIAGYGMSSA-N 1 3 321.440 2.293 20 0 DEADHO CC(C)CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC001440855388 1181731164 /nfs/dbraw/zinc/73/11/64/1181731164.db2.gz ROMDFAHQRHSDSN-JCYILVPMSA-N 1 3 309.498 2.486 20 0 DEADHO Cc1ccc(CN(C)[C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)cc1F ZINC001441010205 1181825127 /nfs/dbraw/zinc/82/51/27/1181825127.db2.gz JXAPMWXUBLIGOX-ZBFHGGJFSA-N 1 3 321.440 2.022 20 0 DEADHO Cc1ccc(CN(C)[C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1F ZINC001441010205 1181825130 /nfs/dbraw/zinc/82/51/30/1181825130.db2.gz JXAPMWXUBLIGOX-ZBFHGGJFSA-N 1 3 321.440 2.022 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC12CC[NH+](CC[C@H](C)F)CC2 ZINC001441162127 1181877837 /nfs/dbraw/zinc/87/78/37/1181877837.db2.gz SDIXZFBRRIUBEI-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H](c1ccccc1)N1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001441179231 1181885668 /nfs/dbraw/zinc/88/56/68/1181885668.db2.gz LARCRCBNPPJYTR-LSDHHAIUSA-N 1 3 303.450 2.136 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H](CN(C)CCF)C1)[NH+](CC)CC ZINC001441311171 1181940716 /nfs/dbraw/zinc/94/07/16/1181940716.db2.gz XJMGWIYRVDXCBO-JKSUJKDBSA-N 1 3 315.477 2.247 20 0 DEADHO CCCN(C)CC(=O)N1CCC([N@H+](C)C/C=C\Cl)CC1 ZINC001441393428 1181973959 /nfs/dbraw/zinc/97/39/59/1181973959.db2.gz LCKATUSNBVSCAO-YVMONPNESA-N 1 3 301.862 2.004 20 0 DEADHO CCCN(C)CC(=O)N1CCC([N@@H+](C)C/C=C\Cl)CC1 ZINC001441393428 1181973965 /nfs/dbraw/zinc/97/39/65/1181973965.db2.gz LCKATUSNBVSCAO-YVMONPNESA-N 1 3 301.862 2.004 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]C/C=C\c2ccccc2)C1)N(C)C ZINC001441423289 1181987601 /nfs/dbraw/zinc/98/76/01/1181987601.db2.gz ZIXRPWMSLMWRRH-KBWKEKOJSA-N 1 3 315.461 2.277 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccsc2)[C@H]1C ZINC001441825169 1182177993 /nfs/dbraw/zinc/17/79/93/1182177993.db2.gz NKQLENJPARXSRN-UKRRQHHQSA-N 1 3 309.479 2.169 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C/C=C/c1ccccc1 ZINC001441843046 1182209809 /nfs/dbraw/zinc/20/98/09/1182209809.db2.gz PEHBIKLYDIZLPV-AYAUWGRQSA-N 1 3 315.461 2.278 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001442005538 1182282558 /nfs/dbraw/zinc/28/25/58/1182282558.db2.gz FYUUXBTWFGOIJP-DOMZBBRYSA-N 1 3 311.857 2.275 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C(C)(C)C ZINC001442138367 1182341084 /nfs/dbraw/zinc/34/10/84/1182341084.db2.gz COLRCDLQFUQPFX-UONOGXRCSA-N 1 3 315.477 2.339 20 0 DEADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]CCc2cccs2)C1)N(C)C ZINC001442252624 1182391188 /nfs/dbraw/zinc/39/11/88/1182391188.db2.gz LUJWSWJFBLVXMS-XUJLQICISA-N 1 3 323.506 2.210 20 0 DEADHO Cc1cccc(C)c1CN(C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001442571736 1182545552 /nfs/dbraw/zinc/54/55/52/1182545552.db2.gz FLMHVNHEBQUNSW-KRWDZBQOSA-N 1 3 317.477 2.193 20 0 DEADHO Cc1cccc(C)c1CN(C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001442571736 1182545558 /nfs/dbraw/zinc/54/55/58/1182545558.db2.gz FLMHVNHEBQUNSW-KRWDZBQOSA-N 1 3 317.477 2.193 20 0 DEADHO C[C@@H](F)CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001442888800 1182768971 /nfs/dbraw/zinc/76/89/71/1182768971.db2.gz QECKJZVJMSKMOV-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H](F)CC[N@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001442888800 1182768979 /nfs/dbraw/zinc/76/89/79/1182768979.db2.gz QECKJZVJMSKMOV-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO CN(CC[NH2+][C@@H]1CCCc2ccccc21)C(=O)CN1CCCC1 ZINC001443096194 1182846200 /nfs/dbraw/zinc/84/62/00/1182846200.db2.gz QTHWYHNYGRUZJU-GOSISDBHSA-N 1 3 315.461 2.208 20 0 DEADHO C[C@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1Cl ZINC001443094773 1182846332 /nfs/dbraw/zinc/84/63/32/1182846332.db2.gz QIRFMSXHUQZMTR-UONOGXRCSA-N 1 3 323.868 2.401 20 0 DEADHO C[C@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1Cl ZINC001443094773 1182846333 /nfs/dbraw/zinc/84/63/33/1182846333.db2.gz QIRFMSXHUQZMTR-UONOGXRCSA-N 1 3 323.868 2.401 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001443273754 1182899377 /nfs/dbraw/zinc/89/93/77/1182899377.db2.gz RNMJJKJMBNBSGH-QZTJIDSGSA-N 1 3 321.509 2.489 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001443273754 1182899378 /nfs/dbraw/zinc/89/93/78/1182899378.db2.gz RNMJJKJMBNBSGH-QZTJIDSGSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H](C(=O)NCC1C[NH+](CC2CCCC2)C1)N1CCCCCC1 ZINC001443626301 1183059913 /nfs/dbraw/zinc/05/99/13/1183059913.db2.gz YNPJRURUIYPYKT-INIZCTEOSA-N 1 3 321.509 2.489 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cccc(C)c1 ZINC001445660926 1183957964 /nfs/dbraw/zinc/95/79/64/1183957964.db2.gz XQMJEFOVDFOCHG-FUHWJXTLSA-N 1 3 317.477 2.464 20 0 DEADHO Cc1ccccc1C[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001447873494 1184907046 /nfs/dbraw/zinc/90/70/46/1184907046.db2.gz SVXYKTWGZNAUGF-HZPDHXFCSA-N 1 3 317.477 2.462 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@H+](C[C@@H](C)CC)C2 ZINC001448481849 1185248954 /nfs/dbraw/zinc/24/89/54/1185248954.db2.gz IWJLVJIBOXZFLZ-INIZCTEOSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@@H+](C[C@@H](C)CC)C2 ZINC001448481849 1185248960 /nfs/dbraw/zinc/24/89/60/1185248960.db2.gz IWJLVJIBOXZFLZ-INIZCTEOSA-N 1 3 309.498 2.299 20 0 DEADHO CCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C(F)(F)F ZINC001449367683 1185679808 /nfs/dbraw/zinc/67/98/08/1185679808.db2.gz MUDUVKAOOOCYBR-CHWSQXEVSA-N 1 3 323.403 2.106 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2C)C1 ZINC001370545917 1149808474 /nfs/dbraw/zinc/80/84/74/1149808474.db2.gz HZCBHNXRNOTNLK-QAQDUYKDSA-N 1 3 321.440 2.213 20 0 DEADHO CC(C)[NH+]1CCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)CC1 ZINC001407712334 1165268093 /nfs/dbraw/zinc/26/80/93/1165268093.db2.gz HIPOTOOVXAHCKM-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO O=C(NCCNC/C=C\Cl)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127345176 782733266 /nfs/dbraw/zinc/73/32/66/782733266.db2.gz XXXDLDSPUSUDOK-SMGNDMQFSA-N 1 3 313.873 2.099 20 0 DEADHO O=C(NCCNC/C=C\Cl)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127345176 782733268 /nfs/dbraw/zinc/73/32/68/782733268.db2.gz XXXDLDSPUSUDOK-SMGNDMQFSA-N 1 3 313.873 2.099 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1C[NH2+]CC1CC1 ZINC001075332879 776553361 /nfs/dbraw/zinc/55/33/61/776553361.db2.gz ISUOUIFAGUXVFY-WBVHZDCISA-N 1 3 321.509 2.203 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCCC1(C[NH2+]C/C=C\Cl)CC1 ZINC001167224921 776780111 /nfs/dbraw/zinc/78/01/11/776780111.db2.gz NTRYPQJKZNWKSO-FCIQKIPGSA-N 1 3 313.873 2.099 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCCC1(C[NH2+]CC2CCC2)CC1 ZINC001167225677 776782203 /nfs/dbraw/zinc/78/22/03/776782203.db2.gz WYIDOEPYHGXOGL-OAHLLOKOSA-N 1 3 307.482 2.147 20 0 DEADHO CC(C)C[NH2+]CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001104289058 776929473 /nfs/dbraw/zinc/92/94/73/776929473.db2.gz DSKSSIDEHIXYAG-HZPDHXFCSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CC[NH2+]CC1CCC1 ZINC001104294750 776953961 /nfs/dbraw/zinc/95/39/61/776953961.db2.gz ZMWCZFXLVNPXIG-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)[NH+]1CCC(NC[C@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC000724969758 777546315 /nfs/dbraw/zinc/54/63/15/777546315.db2.gz CRNKDIWCJBTZHB-OAHLLOKOSA-N 1 3 311.470 2.458 20 0 DEADHO CC(C)CC[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001104681840 778019712 /nfs/dbraw/zinc/01/97/12/778019712.db2.gz RJBJPMCVDJKBMT-RCCFBDPRSA-N 1 3 323.525 2.449 20 0 DEADHO CCN(CC)CC(=O)NCC1CC([NH2+]Cc2ccccc2C)C1 ZINC001100769395 778140503 /nfs/dbraw/zinc/14/05/03/778140503.db2.gz IEAWCTOAOJORFS-UHFFFAOYSA-N 1 3 317.477 2.321 20 0 DEADHO CC[C@H](C)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105064529 778319656 /nfs/dbraw/zinc/31/96/56/778319656.db2.gz USYHBXUMJYKERO-GVDBMIGSSA-N 1 3 311.514 2.447 20 0 DEADHO CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001112529631 778606141 /nfs/dbraw/zinc/60/61/41/778606141.db2.gz IINAZAWVVXVRMC-LNLFQRSKSA-N 1 3 321.509 2.347 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCC1CC([NH2+]CCC(C)C)C1 ZINC001100383072 778788675 /nfs/dbraw/zinc/78/86/75/778788675.db2.gz JTROTDFSTRNDMW-JCYILVPMSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001073461258 790669306 /nfs/dbraw/zinc/66/93/06/790669306.db2.gz BDQLNVRPZFZWKT-IRXDYDNUSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001073461258 790669312 /nfs/dbraw/zinc/66/93/12/790669312.db2.gz BDQLNVRPZFZWKT-IRXDYDNUSA-N 1 3 321.509 2.441 20 0 DEADHO CC(=O)NCCN[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168005067 779267803 /nfs/dbraw/zinc/26/78/03/779267803.db2.gz FIWYRECBEZUDEO-JLVBRIDZSA-N 1 3 303.450 2.154 20 0 DEADHO CC(=O)NCCN[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168005067 779267806 /nfs/dbraw/zinc/26/78/06/779267806.db2.gz FIWYRECBEZUDEO-JLVBRIDZSA-N 1 3 303.450 2.154 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C[C@H](C)N1Cc1ccccc1 ZINC001168006290 779275018 /nfs/dbraw/zinc/27/50/18/779275018.db2.gz MTHWKYWNIYQHPL-SCAQPMJSSA-N 1 3 303.450 2.106 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC001087966816 779577748 /nfs/dbraw/zinc/57/77/48/779577748.db2.gz WWQBUYLLFGQZJV-SJORKVTESA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC001087966816 779577752 /nfs/dbraw/zinc/57/77/52/779577752.db2.gz WWQBUYLLFGQZJV-SJORKVTESA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088105963 779705247 /nfs/dbraw/zinc/70/52/47/779705247.db2.gz JOBASOFIBUGDMV-KSZLIROESA-N 1 3 319.493 2.217 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088105963 779705249 /nfs/dbraw/zinc/70/52/49/779705249.db2.gz JOBASOFIBUGDMV-KSZLIROESA-N 1 3 319.493 2.217 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCCCC[C@H]([NH2+]CC2CC2)C1 ZINC001088382390 780053623 /nfs/dbraw/zinc/05/36/23/780053623.db2.gz AAIDSOLZKRLYSC-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1C1(C[NH2+]CCF)CCC1 ZINC001105566819 780765644 /nfs/dbraw/zinc/76/56/44/780765644.db2.gz WOTHSYSYYWBGMB-HNNXBMFYSA-N 1 3 322.428 2.063 20 0 DEADHO CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H](CC)N(C)C)CCC1 ZINC001105566475 780771331 /nfs/dbraw/zinc/77/13/31/780771331.db2.gz NJAQVVVEJYJKIZ-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(C)C)[C@@H]1C ZINC001088692938 780828602 /nfs/dbraw/zinc/82/86/02/780828602.db2.gz FFBAHAQKWRUYSU-IXDOHACOSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(C)C)[C@@H]1C ZINC001088692938 780828606 /nfs/dbraw/zinc/82/86/06/780828606.db2.gz FFBAHAQKWRUYSU-IXDOHACOSA-N 1 3 309.498 2.342 20 0 DEADHO COC[C@]12CCCO[C@H]1CCN(C1CC[NH+](CC3CC3)CC1)C2 ZINC001168378418 781745883 /nfs/dbraw/zinc/74/58/83/781745883.db2.gz VCVZEPPEJDFAQG-RBUKOAKNSA-N 1 3 322.493 2.378 20 0 DEADHO CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001089639033 783308341 /nfs/dbraw/zinc/30/83/41/783308341.db2.gz LNPVCGVLRRCWAH-HOTGVXAUSA-N 1 3 309.498 2.486 20 0 DEADHO CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001089639033 783308350 /nfs/dbraw/zinc/30/83/50/783308350.db2.gz LNPVCGVLRRCWAH-HOTGVXAUSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCCNCc2ccc(C)c(F)c2)CC[N@@H+]1C ZINC001127701506 783539262 /nfs/dbraw/zinc/53/92/62/783539262.db2.gz QZZIXBHSLIBMDQ-DOTOQJQBSA-N 1 3 321.440 2.070 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCCNCc2ccc(C)c(F)c2)CC[N@H+]1C ZINC001127701506 783539264 /nfs/dbraw/zinc/53/92/64/783539264.db2.gz QZZIXBHSLIBMDQ-DOTOQJQBSA-N 1 3 321.440 2.070 20 0 DEADHO C[C@@H]1CC[N@H+](CCCF)C[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000967708434 784099139 /nfs/dbraw/zinc/09/91/39/784099139.db2.gz SDUCMLYWMUAPCO-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H]1CC[N@@H+](CCCF)C[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000967708434 784099142 /nfs/dbraw/zinc/09/91/42/784099142.db2.gz SDUCMLYWMUAPCO-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO CN(C[C@H]1CCN1CCCC1CCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001085968409 784267906 /nfs/dbraw/zinc/26/79/06/784267906.db2.gz JABLRLKISBVBTR-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C[C@H]1CCN1CCCC1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001085968409 784267911 /nfs/dbraw/zinc/26/79/11/784267911.db2.gz JABLRLKISBVBTR-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C1)N(C)C ZINC000969076986 784715846 /nfs/dbraw/zinc/71/58/46/784715846.db2.gz HFJKBKJFLSDXOJ-KBRIMQKVSA-N 1 3 321.440 2.417 20 0 DEADHO CCCN1C[C@H]2C[NH+](C3CCC(C)(C(=O)OC)CC3)C[C@@H]2C1 ZINC001168794641 784912722 /nfs/dbraw/zinc/91/27/22/784912722.db2.gz WRWQUSZPVABVFU-WMTDPASSSA-N 1 3 308.466 2.382 20 0 DEADHO O=C(c1ccccc1)N1CCC[C@H]([NH2+]CCCN2CCCC2)C1 ZINC001169713287 785322228 /nfs/dbraw/zinc/32/22/28/785322228.db2.gz LNOWSXGXVRADCG-SFHVURJKSA-N 1 3 315.461 2.367 20 0 DEADHO O=C(c1ccccc1)N1CCC[C@H](NCCC[NH+]2CCCC2)C1 ZINC001169713287 785322234 /nfs/dbraw/zinc/32/22/34/785322234.db2.gz LNOWSXGXVRADCG-SFHVURJKSA-N 1 3 315.461 2.367 20 0 DEADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109649950 785974418 /nfs/dbraw/zinc/97/44/18/785974418.db2.gz LDHSZOJSFHBJAS-PMPSAXMXSA-N 1 3 305.466 2.016 20 0 DEADHO CC[C@@H](C)CN1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001113642611 786740929 /nfs/dbraw/zinc/74/09/29/786740929.db2.gz ADBNQQBMCGUHGX-QGZVFWFLSA-N 1 3 309.498 2.443 20 0 DEADHO CN(C)[C@@H](C(=O)NCC[NH2+]Cc1ccc(C2CC2)cc1)C1CC1 ZINC001129444481 787212343 /nfs/dbraw/zinc/21/23/43/787212343.db2.gz TYWQYCFMAVNGKK-GOSISDBHSA-N 1 3 315.461 2.110 20 0 DEADHO CN(C)[C@@H](C(=O)NCC[NH2+]CC/C=C/c1ccccc1)C1CC1 ZINC001129443631 787215518 /nfs/dbraw/zinc/21/55/18/787215518.db2.gz LIPWTCOUAQRVCD-WGLAMXGCSA-N 1 3 315.461 2.136 20 0 DEADHO Cc1ccc(CCC[NH2+]CCNC(=O)CN(C)C2CCC2)cc1 ZINC001129532227 787222885 /nfs/dbraw/zinc/22/28/85/787222885.db2.gz VVQBQPYVKKKIQK-UHFFFAOYSA-N 1 3 317.477 2.118 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[NH2+][C@H]1CCc2ccc(F)cc21)N(C)C ZINC001129949927 787262073 /nfs/dbraw/zinc/26/20/73/787262073.db2.gz KITYHHAVDOCUEQ-IRXDYDNUSA-N 1 3 321.440 2.105 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C ZINC001129946967 787264526 /nfs/dbraw/zinc/26/45/26/787264526.db2.gz CDMHYVMSSOOWHE-RDJZCZTQSA-N 1 3 305.466 2.348 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+][C@@H]1CCCc2ccc(F)cc21)N(C)C ZINC001130203767 787313008 /nfs/dbraw/zinc/31/30/08/787313008.db2.gz WXQHKMNSKYJHRH-IAGOWNOFSA-N 1 3 321.440 2.249 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CCCCc1ccccc1 ZINC001130425220 787387007 /nfs/dbraw/zinc/38/70/07/787387007.db2.gz OFHTUYPUGCCQBQ-UHFFFAOYSA-N 1 3 319.493 2.445 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]Cc1ccc(CF)cc1 ZINC001130419184 787393612 /nfs/dbraw/zinc/39/36/12/787393612.db2.gz NXKGAJLQQPDFRF-UHFFFAOYSA-N 1 3 309.429 2.092 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCNCc2ccsc2)C1 ZINC001132739308 788179467 /nfs/dbraw/zinc/17/94/67/788179467.db2.gz PBEGCHTWUKXWCX-HNNXBMFYSA-N 1 3 309.479 2.076 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)NCCNCc2ccsc2)C1 ZINC001132739308 788179471 /nfs/dbraw/zinc/17/94/71/788179471.db2.gz PBEGCHTWUKXWCX-HNNXBMFYSA-N 1 3 309.479 2.076 20 0 DEADHO CC(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001086694532 788192935 /nfs/dbraw/zinc/19/29/35/788192935.db2.gz WYODXKOMXZKYAL-BBWFWOEESA-N 1 3 309.498 2.390 20 0 DEADHO O=C(NCCNC/C=C/Cl)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132794649 788197800 /nfs/dbraw/zinc/19/78/00/788197800.db2.gz CVNCGTQRIQVMSZ-FUVBFXSKSA-N 1 3 313.873 2.242 20 0 DEADHO O=C(NCCNC/C=C/Cl)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001132794649 788197804 /nfs/dbraw/zinc/19/78/04/788197804.db2.gz CVNCGTQRIQVMSZ-FUVBFXSKSA-N 1 3 313.873 2.242 20 0 DEADHO CCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1C ZINC001132888370 788218956 /nfs/dbraw/zinc/21/89/56/788218956.db2.gz MRFUHQINZWHIGS-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1C ZINC001133120798 788286689 /nfs/dbraw/zinc/28/66/89/788286689.db2.gz BEWAOYXCHZADMD-HZPDHXFCSA-N 1 3 311.514 2.449 20 0 DEADHO CCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1C ZINC001133121237 788287475 /nfs/dbraw/zinc/28/74/75/788287475.db2.gz FNRYPRHTGQHLAI-HZPDHXFCSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001097972100 788302206 /nfs/dbraw/zinc/30/22/06/788302206.db2.gz OFIULYPHIBJPNM-VQHPVUNQSA-N 1 3 307.482 2.381 20 0 DEADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001097972100 788302210 /nfs/dbraw/zinc/30/22/10/788302210.db2.gz OFIULYPHIBJPNM-VQHPVUNQSA-N 1 3 307.482 2.381 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC=C(C)C)C1 ZINC001133178792 788307538 /nfs/dbraw/zinc/30/75/38/788307538.db2.gz XJJPWHXKUALXOJ-IRXDYDNUSA-N 1 3 309.498 2.369 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001133434643 788429722 /nfs/dbraw/zinc/42/97/22/788429722.db2.gz WTELLMKAQRPOKT-NVXWUHKLSA-N 1 3 305.466 2.348 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]CC/C=C\c1ccccc1 ZINC001133823487 788619732 /nfs/dbraw/zinc/61/97/32/788619732.db2.gz HOHPGFKDFKTPNX-KPFINFFTSA-N 1 3 315.461 2.280 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001133834070 788628822 /nfs/dbraw/zinc/62/88/22/788628822.db2.gz NCPPSNHCDHJQAX-CXAGYDPISA-N 1 3 319.424 2.003 20 0 DEADHO CC/C=C/CC[NH2+]CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001133856650 788641423 /nfs/dbraw/zinc/64/14/23/788641423.db2.gz MUBFXLALYNJQML-DKRLNXSXSA-N 1 3 313.461 2.261 20 0 DEADHO CCc1ccc(C[NH2+]CCNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001133908322 788667172 /nfs/dbraw/zinc/66/71/72/788667172.db2.gz MMPAICPZFSPIDH-UHFFFAOYSA-N 1 3 319.493 2.433 20 0 DEADHO C[C@H](C[C@H](C)[NH2+]CCF)NC(=O)C(C)(C)N1CCCCC1 ZINC001134369884 788901175 /nfs/dbraw/zinc/90/11/75/788901175.db2.gz UFYDNBCTQWWDGU-UONOGXRCSA-N 1 3 301.450 2.093 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCF ZINC001170750349 788915133 /nfs/dbraw/zinc/91/51/33/788915133.db2.gz JEXCSUDINICYMV-HOTGVXAUSA-N 1 3 315.477 2.483 20 0 DEADHO C[C@H](C[C@H](C)[NH2+]CCCCCF)NC(=O)C1(N(C)C)CCC1 ZINC001134583315 788988878 /nfs/dbraw/zinc/98/88/78/788988878.db2.gz ILSLWMQDPTUHGK-LSDHHAIUSA-N 1 3 315.477 2.483 20 0 DEADHO O=C(NCCNCc1ccc(F)cc1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135092714 789200135 /nfs/dbraw/zinc/20/01/35/789200135.db2.gz CGODQVJUDHLEHJ-SJORKVTESA-N 1 3 319.424 2.048 20 0 DEADHO O=C(NCCNCc1ccc(F)cc1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135092714 789200142 /nfs/dbraw/zinc/20/01/42/789200142.db2.gz CGODQVJUDHLEHJ-SJORKVTESA-N 1 3 319.424 2.048 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccnc1C ZINC001135743828 789475779 /nfs/dbraw/zinc/47/57/79/789475779.db2.gz QDIBNBKRNLXHDX-GJZGRUSLSA-N 1 3 320.481 2.105 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccnc1C ZINC001135743829 789475800 /nfs/dbraw/zinc/47/58/00/789475800.db2.gz QDIBNBKRNLXHDX-HUUCEWRRSA-N 1 3 320.481 2.105 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccccc2C)[C@@H]1C)N(C)C ZINC001074709424 791270485 /nfs/dbraw/zinc/27/04/85/791270485.db2.gz BXYGQWXPODDRNY-RYQLBKOJSA-N 1 3 317.477 2.414 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2)[C@@H]1C)N(C)C ZINC001074710772 791272091 /nfs/dbraw/zinc/27/20/91/791272091.db2.gz FOTQJPARCSZAJU-RYQLBKOJSA-N 1 3 317.477 2.414 20 0 DEADHO C[C@H](C[C@H](C)NC(=O)c1cccc(CN(C)C)c1)[NH2+]CCF ZINC001146585048 791309346 /nfs/dbraw/zinc/30/93/46/791309346.db2.gz WLNYXTYESQXIHS-KGLIPLIRSA-N 1 3 309.429 2.204 20 0 DEADHO C[C@H](C[C@@H](C)[NH2+]CCF)NC(=O)c1cccc(CN(C)C)c1 ZINC001146585050 791310272 /nfs/dbraw/zinc/31/02/72/791310272.db2.gz WLNYXTYESQXIHS-ZIAGYGMSSA-N 1 3 309.429 2.204 20 0 DEADHO Cc1cncc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001146590864 791317516 /nfs/dbraw/zinc/31/75/16/791317516.db2.gz CMPIOHNHBLZYDW-HOTGVXAUSA-N 1 3 320.481 2.103 20 0 DEADHO Cc1cccnc1C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146593146 791318009 /nfs/dbraw/zinc/31/80/09/791318009.db2.gz OGDHDEVJVNVESN-HOTGVXAUSA-N 1 3 320.481 2.103 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC(F)(F)F ZINC001146594843 791319778 /nfs/dbraw/zinc/31/97/78/791319778.db2.gz VMOVDUHCKLOSOZ-NEPJUHHUSA-N 1 3 311.392 2.152 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)[C@@H]1C ZINC001074878094 791363777 /nfs/dbraw/zinc/36/37/77/791363777.db2.gz ZQKLRDTVYOXGKX-ZOBUZTSGSA-N 1 3 321.509 2.486 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CC[N@H+](CCCCCF)C2)N(C)C ZINC001147774568 791615103 /nfs/dbraw/zinc/61/51/03/791615103.db2.gz YEOKFMGIQDTAFF-OAHLLOKOSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](CCCCCF)C2)N(C)C ZINC001147774568 791615109 /nfs/dbraw/zinc/61/51/09/791615109.db2.gz YEOKFMGIQDTAFF-OAHLLOKOSA-N 1 3 313.461 2.001 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCNCc2ccc(F)cc2)C1 ZINC001147825785 791631663 /nfs/dbraw/zinc/63/16/63/791631663.db2.gz RMDBSXGLLSEUEA-NVXWUHKLSA-N 1 3 321.440 2.152 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCNCc2ccsc2)C1 ZINC001147833744 791633393 /nfs/dbraw/zinc/63/33/93/791633393.db2.gz AWDIFSKGXBYSLU-LSDHHAIUSA-N 1 3 309.479 2.074 20 0 DEADHO CC(C)[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@]2(C)C1 ZINC001091672144 791662229 /nfs/dbraw/zinc/66/22/29/791662229.db2.gz INJWTMAJYXVLNE-APWZRJJASA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@]2(C)C1 ZINC001091672144 791662235 /nfs/dbraw/zinc/66/22/35/791662235.db2.gz INJWTMAJYXVLNE-APWZRJJASA-N 1 3 321.509 2.440 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001148642372 791780095 /nfs/dbraw/zinc/78/00/95/791780095.db2.gz GLBKBNHEIHMPMS-HNNXBMFYSA-N 1 3 317.477 2.284 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+]Cc1ccc(CC(C)C)cc1 ZINC001148642426 791780397 /nfs/dbraw/zinc/78/03/97/791780397.db2.gz IMCBXKNIKHPEGM-UHFFFAOYSA-N 1 3 319.493 2.433 20 0 DEADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@H+](CCC(C)(C)C)C2 ZINC001148838582 791808940 /nfs/dbraw/zinc/80/89/40/791808940.db2.gz AVYXUCUPKWPPFG-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@@H+](CCC(C)(C)C)C2 ZINC001148838582 791808944 /nfs/dbraw/zinc/80/89/44/791808944.db2.gz AVYXUCUPKWPPFG-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001091758389 791814004 /nfs/dbraw/zinc/81/40/04/791814004.db2.gz CITDQUXZVCTIMI-RYRKJORJSA-N 1 3 309.498 2.153 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001091758389 791814007 /nfs/dbraw/zinc/81/40/07/791814007.db2.gz CITDQUXZVCTIMI-RYRKJORJSA-N 1 3 309.498 2.153 20 0 DEADHO CC[NH+]1CCC2(C[C@H](C)N(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001086926868 791854170 /nfs/dbraw/zinc/85/41/70/791854170.db2.gz MMGXVXIAHFFRAN-HNNXBMFYSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001086929942 791859216 /nfs/dbraw/zinc/85/92/16/791859216.db2.gz UNZUCSPZKCGMEL-HZPDHXFCSA-N 1 3 309.498 2.440 20 0 DEADHO CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001093383451 792352836 /nfs/dbraw/zinc/35/28/36/792352836.db2.gz LBBAGTXRQHTYJC-SFHVURJKSA-N 1 3 319.493 2.195 20 0 DEADHO CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001093383451 792352848 /nfs/dbraw/zinc/35/28/48/792352848.db2.gz LBBAGTXRQHTYJC-SFHVURJKSA-N 1 3 319.493 2.195 20 0 DEADHO CCC(CC)C[NH2+]C1CC(CNC(=O)CN2CCC[C@H]2C)C1 ZINC001100677089 792782800 /nfs/dbraw/zinc/78/28/00/792782800.db2.gz YIBYCYTWUKFRQA-ODIFPOPNSA-N 1 3 309.498 2.391 20 0 DEADHO CC/C=C\CC[NH2+]C1CC(CNC(=O)CN2CCC[C@H]2C)C1 ZINC001100676363 792783012 /nfs/dbraw/zinc/78/30/12/792783012.db2.gz MHBNZCQFAQAPHX-BFJBPPDHSA-N 1 3 307.482 2.311 20 0 DEADHO CC(C)CC[NH2+]C1CC(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001100681501 792785192 /nfs/dbraw/zinc/78/51/92/792785192.db2.gz LVOLJPHJRLRCCG-UHFFFAOYSA-N 1 3 311.514 2.495 20 0 DEADHO CC[C@H](F)C[NH2+]C1CC(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001100681761 792785900 /nfs/dbraw/zinc/78/59/00/792785900.db2.gz RSMAHGTXUDSLSY-SLTAFYQDSA-N 1 3 315.477 2.197 20 0 DEADHO CCN(CC)CC(=O)NCC1CC([NH2+]C[C@@H](C)CC(C)C)C1 ZINC001100771134 792834160 /nfs/dbraw/zinc/83/41/60/792834160.db2.gz ZNCPHGIECMANBP-GTPINHCMSA-N 1 3 311.514 2.495 20 0 DEADHO CCCCCC[NH2+]C1CC(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001100921233 792918176 /nfs/dbraw/zinc/91/81/76/792918176.db2.gz ODLHQPAVDXACDS-UHFFFAOYSA-N 1 3 306.454 2.325 20 0 DEADHO CC/C=C\CC[NH2+]C1CC(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001100918315 792918435 /nfs/dbraw/zinc/91/84/35/792918435.db2.gz OMPPUTHZSKALDM-PLNGDYQASA-N 1 3 304.438 2.101 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C(C)C)N1CCCC1 ZINC001110161941 793043735 /nfs/dbraw/zinc/04/37/35/793043735.db2.gz ZMRGIUVGZNYBTQ-QZWWFDLISA-N 1 3 307.482 2.237 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C(C)C)N1CCCC1 ZINC001110161941 793043746 /nfs/dbraw/zinc/04/37/46/793043746.db2.gz ZMRGIUVGZNYBTQ-QZWWFDLISA-N 1 3 307.482 2.237 20 0 DEADHO CCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001101267830 793090454 /nfs/dbraw/zinc/09/04/54/793090454.db2.gz UMWJLQFKVLYTFL-LMMKCTJWSA-N 1 3 321.509 2.297 20 0 DEADHO CCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001101267830 793090465 /nfs/dbraw/zinc/09/04/65/793090465.db2.gz UMWJLQFKVLYTFL-LMMKCTJWSA-N 1 3 321.509 2.297 20 0 DEADHO CCCCC[N@@H+]1C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@]2(C)C1 ZINC001101267416 793090533 /nfs/dbraw/zinc/09/05/33/793090533.db2.gz DFWVCWUYPXFSPE-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO CCCCC[N@H+]1C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@]2(C)C1 ZINC001101267416 793090541 /nfs/dbraw/zinc/09/05/41/793090541.db2.gz DFWVCWUYPXFSPE-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]C/C=C/Cl)N(C)C ZINC001171509442 793118428 /nfs/dbraw/zinc/11/84/28/793118428.db2.gz QISKMEMDOYZNEE-CJDRZLIDSA-N 1 3 303.878 2.344 20 0 DEADHO CC(C)C(=O)N1CC[C@H](NC2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171627347 793156360 /nfs/dbraw/zinc/15/63/60/793156360.db2.gz QHYXRQUOPPOXTB-AWEZNQCLSA-N 1 3 309.498 2.484 20 0 DEADHO CN1C(C)(C)CC([N@@H+]2CC[C@H](N3CCOCC3)C2)CC1(C)C ZINC001171638192 793171022 /nfs/dbraw/zinc/17/10/22/793171022.db2.gz WCKDMXQBWXSLSM-HNNXBMFYSA-N 1 3 309.498 2.044 20 0 DEADHO CN1C(C)(C)CC([N@H+]2CC[C@H](N3CCOCC3)C2)CC1(C)C ZINC001171638192 793171029 /nfs/dbraw/zinc/17/10/29/793171029.db2.gz WCKDMXQBWXSLSM-HNNXBMFYSA-N 1 3 309.498 2.044 20 0 DEADHO CN(C)C(=O)NC1CC[NH+](C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171641680 793174339 /nfs/dbraw/zinc/17/43/39/793174339.db2.gz SYDRIFDHGSSSIW-UHFFFAOYSA-N 1 3 324.513 2.373 20 0 DEADHO CN(C)C(=O)NC1CCN(C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171641680 793174344 /nfs/dbraw/zinc/17/43/44/793174344.db2.gz SYDRIFDHGSSSIW-UHFFFAOYSA-N 1 3 324.513 2.373 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1ccc(F)cc1C ZINC001171763203 793198921 /nfs/dbraw/zinc/19/89/21/793198921.db2.gz VKIUHUMSSLZECP-UHFFFAOYSA-N 1 3 309.429 2.072 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]CC[C@@H]1CCCC1(F)F ZINC001171763149 793199380 /nfs/dbraw/zinc/19/93/80/793199380.db2.gz SPKNRDIRXGYESH-AWEZNQCLSA-N 1 3 319.440 2.250 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+][C@H]1CCc2c1cccc2F ZINC001171770577 793202196 /nfs/dbraw/zinc/20/21/96/793202196.db2.gz TTWXVUMUGJPGEA-KRWDZBQOSA-N 1 3 321.440 2.251 20 0 DEADHO CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001101549116 793225247 /nfs/dbraw/zinc/22/52/47/793225247.db2.gz BHVBXPJXMOHCOA-INIZCTEOSA-N 1 3 311.514 2.447 20 0 DEADHO CC[NH2+]CC(C)(C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001101574872 793240955 /nfs/dbraw/zinc/24/09/55/793240955.db2.gz HUWVGWUHRXPRIU-HNNXBMFYSA-N 1 3 309.498 2.203 20 0 DEADHO CCC[NH2+]CC(C)(C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001101595577 793259830 /nfs/dbraw/zinc/25/98/30/793259830.db2.gz ITHHADPHEZDKHY-UHFFFAOYSA-N 1 3 309.498 2.347 20 0 DEADHO [NH3+]C1(CC2CCC2)CCN([C@H]2CCN(C3CC3)C(=O)C2)CC1 ZINC001172006606 793278486 /nfs/dbraw/zinc/27/84/86/793278486.db2.gz XVYRVRMBRVYRKK-INIZCTEOSA-N 1 3 305.466 2.123 20 0 DEADHO O[C@H](CF)CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172079543 793312254 /nfs/dbraw/zinc/31/22/54/793312254.db2.gz OWMZIBSFHMVADD-XMTFNYHQSA-N 1 3 306.425 2.492 20 0 DEADHO O[C@H](CF)CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172079543 793312262 /nfs/dbraw/zinc/31/22/62/793312262.db2.gz OWMZIBSFHMVADD-XMTFNYHQSA-N 1 3 306.425 2.492 20 0 DEADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H]1COc3ccccc3O1)C2 ZINC001172103714 793328378 /nfs/dbraw/zinc/32/83/78/793328378.db2.gz WVEJBTZSVLMRKJ-QKPAOTATSA-N 1 3 302.418 2.431 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@@H]1COc3ccccc3O1)C2 ZINC001172103714 793328388 /nfs/dbraw/zinc/32/83/88/793328388.db2.gz WVEJBTZSVLMRKJ-QKPAOTATSA-N 1 3 302.418 2.431 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@@H]1COc3ccccc3O1)C2 ZINC001172103714 793328399 /nfs/dbraw/zinc/32/83/99/793328399.db2.gz WVEJBTZSVLMRKJ-QKPAOTATSA-N 1 3 302.418 2.431 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCNC(=O)C1CCCCC1)C2 ZINC001172110267 793330150 /nfs/dbraw/zinc/33/01/50/793330150.db2.gz LYXLGBXORBCCEW-BJWYYQGGSA-N 1 3 307.482 2.288 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCNC(=O)C1CCCCC1)C2 ZINC001172110267 793330162 /nfs/dbraw/zinc/33/01/62/793330162.db2.gz LYXLGBXORBCCEW-BJWYYQGGSA-N 1 3 307.482 2.288 20 0 DEADHO COc1ccc([C@@H](O)CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172107578 793331242 /nfs/dbraw/zinc/33/12/42/793331242.db2.gz FPDXUZSBRLZJEY-CUSZFKRNSA-N 1 3 304.434 2.334 20 0 DEADHO COc1ccc([C@@H](O)CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172107578 793331250 /nfs/dbraw/zinc/33/12/50/793331250.db2.gz FPDXUZSBRLZJEY-CUSZFKRNSA-N 1 3 304.434 2.334 20 0 DEADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(Cc3ccccn3)CC1)C2 ZINC001172119187 793340293 /nfs/dbraw/zinc/34/02/93/793340293.db2.gz TWKUUPZNEOSVEA-REPLKXPHSA-N 1 3 314.477 2.215 20 0 DEADHO O=C1CC[C@@H]2C[C@@H]([NH2+]C3CCN(CC4CCCC4)CC3)CCN12 ZINC001172153063 793350699 /nfs/dbraw/zinc/35/06/99/793350699.db2.gz ABTRQUNXGBXHMC-ZWKOTPCHSA-N 1 3 319.493 2.384 20 0 DEADHO O=C1CC[C@@H]2C[C@@H]([NH2+]C3CCN(C4CCCC4)CC3)CCN12 ZINC001172166884 793358532 /nfs/dbraw/zinc/35/85/32/793358532.db2.gz VFNDOPBJFKTHAM-DOTOQJQBSA-N 1 3 305.466 2.136 20 0 DEADHO COC1CC[NH+](C2CCN(C3C[C@@H]4C=C[C@H](C3)O4)CC2)CC1 ZINC001172242803 793384908 /nfs/dbraw/zinc/38/49/08/793384908.db2.gz DMGWUDSOLLXNCS-ZNXRZULTSA-N 1 3 306.450 2.048 20 0 DEADHO COC(=O)CCN(CCC[NH+](C)C)[C@@H](C)CCOC(C)C ZINC001172451245 793432501 /nfs/dbraw/zinc/43/25/01/793432501.db2.gz NQTAVYQLIZLJBF-HNNXBMFYSA-N 1 3 302.459 2.007 20 0 DEADHO Cc1nccn1-c1ccccc1CN1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206172945 793474519 /nfs/dbraw/zinc/47/45/19/793474519.db2.gz DBJYLHAAIWPGNF-CVEARBPZSA-N 1 3 302.397 2.442 20 0 DEADHO CCC(CC)N1CCC([NH2+]C2CCN(C(=O)OC)CC2)CC1 ZINC001172734851 793485738 /nfs/dbraw/zinc/48/57/38/793485738.db2.gz WEKRDRLBQVZXHJ-UHFFFAOYSA-N 1 3 311.470 2.460 20 0 DEADHO CCOC(=O)c1c(CN)ncn1C1CCC([NH+](CC)CC)CC1 ZINC001173104326 793579344 /nfs/dbraw/zinc/57/93/44/793579344.db2.gz HSLJPWZCNRJSMF-UHFFFAOYSA-N 1 3 322.453 2.344 20 0 DEADHO CCSC[C@@H](C)N[C@@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001173293663 793662157 /nfs/dbraw/zinc/66/21/57/793662157.db2.gz GHHVWBBWRIJPRI-VXGBXAGGSA-N 1 3 305.488 2.307 20 0 DEADHO C[C@@H](CN)C[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173414061 793715249 /nfs/dbraw/zinc/71/52/49/793715249.db2.gz XRGTXPPTZHPPAF-LBPRGKRZSA-N 1 3 309.841 2.129 20 0 DEADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173742672 793830268 /nfs/dbraw/zinc/83/02/68/793830268.db2.gz OOCNLDCPKYHZCS-BZUAXINKSA-N 1 3 306.458 2.011 20 0 DEADHO CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001103436122 794091754 /nfs/dbraw/zinc/09/17/54/794091754.db2.gz LHWSTFAKDUAZQM-GVDBMIGSSA-N 1 3 309.498 2.203 20 0 DEADHO CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001103436122 794091760 /nfs/dbraw/zinc/09/17/60/794091760.db2.gz LHWSTFAKDUAZQM-GVDBMIGSSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@@H](CCCC[NH2+]C/C=C\Cl)NC(=O)CN1CC[C@@H](C)C1 ZINC001175265507 794173818 /nfs/dbraw/zinc/17/38/18/794173818.db2.gz YXVRJUBBYULVOM-PNPSXAPQSA-N 1 3 315.889 2.345 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCOC(C)C)N(C)C ZINC001175303851 794177709 /nfs/dbraw/zinc/17/77/09/794177709.db2.gz HLQIWGKIRNOIGP-HOTGVXAUSA-N 1 3 315.502 2.016 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1cnoc1C)N(C)C ZINC001175317608 794180620 /nfs/dbraw/zinc/18/06/20/794180620.db2.gz QPPSNGQBYYOTDG-CJNGLKHVSA-N 1 3 324.469 2.088 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1cc(C)no1 ZINC001175767748 794283787 /nfs/dbraw/zinc/28/37/87/794283787.db2.gz IXRUHBWZVSACNY-AWEZNQCLSA-N 1 3 324.469 2.089 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]CCOC(C)C ZINC001176293824 794392382 /nfs/dbraw/zinc/39/23/82/794392382.db2.gz VJTMJZUOTRDVSF-MRXNPFEDSA-N 1 3 315.502 2.018 20 0 DEADHO CC[C@H](F)C[NH2+]CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001206274905 794428899 /nfs/dbraw/zinc/42/88/99/794428899.db2.gz NBZCSSXZKYJIAD-HOCLYGCPSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CC1)C2)N(CC)CC ZINC001111869027 794506650 /nfs/dbraw/zinc/50/66/50/794506650.db2.gz UVIWJYBXYUGVSL-SCTDSRPQSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CC1)C2)N(CC)CC ZINC001111869027 794506659 /nfs/dbraw/zinc/50/66/59/794506659.db2.gz UVIWJYBXYUGVSL-SCTDSRPQSA-N 1 3 321.509 2.488 20 0 DEADHO CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C1CC1)N(C)C ZINC001177339830 794642864 /nfs/dbraw/zinc/64/28/64/794642864.db2.gz RFUUHDCNMDSSEO-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO CCN(CC)CC(=O)NCC1([NH2+]C/C=C\Cl)CCCCC1 ZINC001115778748 794918077 /nfs/dbraw/zinc/91/80/77/794918077.db2.gz PSIKIHRJQVDJHS-FLIBITNWSA-N 1 3 315.889 2.489 20 0 DEADHO CC[C@H](C(=O)NCCCCCC[NH2+]CC[C@@H](C)F)N(C)C ZINC001178815876 795013303 /nfs/dbraw/zinc/01/33/03/795013303.db2.gz MWHMFYWPIWIPJD-HUUCEWRRSA-N 1 3 303.466 2.341 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCCCCF)[C@@H]2C)C1 ZINC001179539439 795134766 /nfs/dbraw/zinc/13/47/66/795134766.db2.gz XWGYLGBLNNJEHO-JYJNAYRXSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@@H](C(=O)NCCCCCC[NH2+]CC[C@@H](C)F)N(C)C ZINC001179609287 795142727 /nfs/dbraw/zinc/14/27/27/795142727.db2.gz MWHMFYWPIWIPJD-CABCVRRESA-N 1 3 303.466 2.341 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)[C@@H]1C ZINC001179766003 795174477 /nfs/dbraw/zinc/17/44/77/795174477.db2.gz KLQPBUWHNNOUPE-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO CCN(C)C(C)(C)C(=O)NC1CC2(C1)CC([NH2+]CCCF)C2 ZINC001121325544 795617078 /nfs/dbraw/zinc/61/70/78/795617078.db2.gz HEVKNBKBJINKJH-UHFFFAOYSA-N 1 3 313.461 2.093 20 0 DEADHO CC[C@@H](C(=O)NC1CC2(C1)CC([NH2+]C/C=C/Cl)C2)N(C)C ZINC001121798985 795689105 /nfs/dbraw/zinc/68/91/05/795689105.db2.gz VUJGWNUWHDLQJV-JKVCVMPASA-N 1 3 313.873 2.096 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CC2CC2)[C@@H](C)C1 ZINC001182562940 795706558 /nfs/dbraw/zinc/70/65/58/795706558.db2.gz UBHGDKGGQMSMEW-XIRDDKMYSA-N 1 3 307.482 2.096 20 0 DEADHO CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CC2CC2)[C@@H](C)C1 ZINC001182562940 795706563 /nfs/dbraw/zinc/70/65/63/795706563.db2.gz UBHGDKGGQMSMEW-XIRDDKMYSA-N 1 3 307.482 2.096 20 0 DEADHO CC(C)C[NH2+]C[C@]1(C)CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001182623542 795714647 /nfs/dbraw/zinc/71/46/47/795714647.db2.gz PEWSWOIOSPDJCR-VQIMIIECSA-N 1 3 323.525 2.449 20 0 DEADHO CCC[NH2+]C[C@]1(C)CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001182629642 795714921 /nfs/dbraw/zinc/71/49/21/795714921.db2.gz KVRSZOSXDOITEA-CRAIPNDOSA-N 1 3 311.514 2.449 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC2CC2)C1)N(C)C ZINC001182637510 795717326 /nfs/dbraw/zinc/71/73/26/795717326.db2.gz HQHJTODFQAOIIG-UWWQBHOKSA-N 1 3 309.498 2.201 20 0 DEADHO C[NH2+]CCCCC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC001122033644 795719838 /nfs/dbraw/zinc/71/98/38/795719838.db2.gz ZLJNHVCNRFIBBX-OAHLLOKOSA-N 1 3 311.857 2.449 20 0 DEADHO CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001182741734 795747120 /nfs/dbraw/zinc/74/71/20/795747120.db2.gz SZKVEJPNLKXODQ-CPHMMYSSSA-N 1 3 318.465 2.383 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC=C(C)C)C1 ZINC001183228818 795828321 /nfs/dbraw/zinc/82/83/21/795828321.db2.gz UWDIIUGCKLCKCD-SJLPKXTDSA-N 1 3 309.498 2.369 20 0 DEADHO CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001183288315 795852236 /nfs/dbraw/zinc/85/22/36/795852236.db2.gz CQVUBAMLOXFDAF-OGZRUICASA-N 1 3 307.482 2.408 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H](C[NH2+]CC2CCC2)[C@@H](C)C1 ZINC001185357855 796237663 /nfs/dbraw/zinc/23/76/63/796237663.db2.gz FDCBBDMEOUWRLV-DOTOQJQBSA-N 1 3 309.498 2.203 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CCC(C)C)[C@@H](C)C1 ZINC001185546457 796288205 /nfs/dbraw/zinc/28/82/05/796288205.db2.gz CEYFYCIDGXFRNJ-DLBZAZTESA-N 1 3 311.514 2.449 20 0 DEADHO CC[C@@H](F)CN[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001186356095 796393044 /nfs/dbraw/zinc/39/30/44/796393044.db2.gz QNRWHRYIGWWCCN-IAGOWNOFSA-N 1 3 321.440 2.300 20 0 DEADHO COC(=O)c1cccc2[nH]cc(C[N@H+](C)CCCN(C)C)c21 ZINC001139717035 796415617 /nfs/dbraw/zinc/41/56/17/796415617.db2.gz PFLLTNVXYKBNGS-UHFFFAOYSA-N 1 3 303.406 2.338 20 0 DEADHO COC(=O)c1cccc2[nH]cc(C[N@@H+](C)CCCN(C)C)c21 ZINC001139717035 796415622 /nfs/dbraw/zinc/41/56/22/796415622.db2.gz PFLLTNVXYKBNGS-UHFFFAOYSA-N 1 3 303.406 2.338 20 0 DEADHO CC[C@H](F)CN[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001186739871 796436659 /nfs/dbraw/zinc/43/66/59/796436659.db2.gz XENMNRIVQDFMQP-JKSUJKDBSA-N 1 3 313.461 2.045 20 0 DEADHO Cc1cc(CN2CCC(COCC[NH+]3CCCC3)CC2)n[nH]1 ZINC001203069908 796579805 /nfs/dbraw/zinc/57/98/05/796579805.db2.gz FAQVDAXZZCSKHT-UHFFFAOYSA-N 1 3 306.454 2.043 20 0 DEADHO CCCC[N@H+]1CC=C(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001161219908 796694751 /nfs/dbraw/zinc/69/47/51/796694751.db2.gz QCQHTKQZNUGXKE-INIZCTEOSA-N 1 3 307.482 2.267 20 0 DEADHO CCCC[N@@H+]1CC=C(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001161219908 796694753 /nfs/dbraw/zinc/69/47/53/796694753.db2.gz QCQHTKQZNUGXKE-INIZCTEOSA-N 1 3 307.482 2.267 20 0 DEADHO CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190675387 797056238 /nfs/dbraw/zinc/05/62/38/797056238.db2.gz LZEKTQMVUVROCK-FUTAKVPZSA-N 1 3 307.482 2.360 20 0 DEADHO CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190675387 797056243 /nfs/dbraw/zinc/05/62/43/797056243.db2.gz LZEKTQMVUVROCK-FUTAKVPZSA-N 1 3 307.482 2.360 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC[NH2+]CCCc1ccsc1 ZINC001152146813 797150082 /nfs/dbraw/zinc/15/00/82/797150082.db2.gz JVPTYCNTRLSLDT-GASCZTMLSA-N 1 3 323.506 2.259 20 0 DEADHO CC/C=C/CC[NH2+]CCNC(=O)c1cccc(CN(C)C)c1 ZINC001152245653 797162032 /nfs/dbraw/zinc/16/20/32/797162032.db2.gz JYPXMTDXFOKFKY-AATRIKPKSA-N 1 3 303.450 2.424 20 0 DEADHO CC(C)N(C)CC(=O)NCC[NH2+]Cc1cccc2ccccc21 ZINC001152439614 797187215 /nfs/dbraw/zinc/18/72/15/797187215.db2.gz PRUDFMAGTRIVIV-UHFFFAOYSA-N 1 3 313.445 2.386 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C)c(C)c1 ZINC001152458195 797191232 /nfs/dbraw/zinc/19/12/32/797191232.db2.gz MNZHPVXTDUWAHJ-GOSISDBHSA-N 1 3 317.477 2.384 20 0 DEADHO CC(C)[C@H](C(=O)NCCNCc1ccsc1)[NH+]1CCCC1 ZINC001152479513 797194458 /nfs/dbraw/zinc/19/44/58/797194458.db2.gz GVBHNNZESJYLHP-OAHLLOKOSA-N 1 3 309.479 2.074 20 0 DEADHO CN(C)c1cccc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)n1 ZINC001155378478 797744017 /nfs/dbraw/zinc/74/40/17/797744017.db2.gz RLPWTRJJGOVVJI-AWEZNQCLSA-N 1 3 304.438 2.108 20 0 DEADHO C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCCN1C)c1ccccc1F ZINC001155802278 797850936 /nfs/dbraw/zinc/85/09/36/797850936.db2.gz JSFOHTLYIFKXDR-BBRMVZONSA-N 1 3 307.413 2.077 20 0 DEADHO CN(C)C1(CNc2nc3ccc(Cl)nc3[nH]2)CC[NH+](C)CC1 ZINC001156184937 797941906 /nfs/dbraw/zinc/94/19/06/797941906.db2.gz JQMWPNCUAISGOH-UHFFFAOYSA-N 1 3 322.844 2.049 20 0 DEADHO CC1CC(C[NH2+]CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001152246263 797998598 /nfs/dbraw/zinc/99/85/98/797998598.db2.gz WEBLATSWDFFZPD-UHFFFAOYSA-N 1 3 303.450 2.114 20 0 DEADHO [NH3+][C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1CCN(CC2CCCCC2)CC1 ZINC001157579128 798235300 /nfs/dbraw/zinc/23/53/00/798235300.db2.gz JNHVWWGZRMOKGW-VSZNYVQBSA-N 1 3 319.493 2.084 20 0 DEADHO C[NH+](C)CCCCC(=O)N1CCCN(CCCCCF)CC1 ZINC001197886384 798253379 /nfs/dbraw/zinc/25/33/79/798253379.db2.gz RZLYSLXRASVQEW-UHFFFAOYSA-N 1 3 315.477 2.392 20 0 DEADHO N[C@@H](CC1CCC1)C(=O)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001158031211 798329391 /nfs/dbraw/zinc/32/93/91/798329391.db2.gz IOIWSQBJIYYLKV-WMZOPIPTSA-N 1 3 307.482 2.276 20 0 DEADHO CCC[N@@H+]1CCCC[C@@H]1c1ccc(-n2nncc2CN)nc1 ZINC001158427157 798405461 /nfs/dbraw/zinc/40/54/61/798405461.db2.gz OBJVKEIYPSZNRV-OAHLLOKOSA-N 1 3 300.410 2.058 20 0 DEADHO CCC[N@H+]1CCCC[C@@H]1c1ccc(-n2nncc2CN)nc1 ZINC001158427157 798405466 /nfs/dbraw/zinc/40/54/66/798405466.db2.gz OBJVKEIYPSZNRV-OAHLLOKOSA-N 1 3 300.410 2.058 20 0 DEADHO CCN[C@@H](CNC(=O)CCCC[NH+](C)C)c1ccccc1OC ZINC001198969790 798421571 /nfs/dbraw/zinc/42/15/71/798421571.db2.gz WTVCAYARCIUGDD-INIZCTEOSA-N 1 3 321.465 2.194 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([NH2+]CCc2ccccc2)CC1 ZINC001203924527 798426901 /nfs/dbraw/zinc/42/69/01/798426901.db2.gz AVIVLLXIQHVSLP-UHFFFAOYSA-N 1 3 317.477 2.150 20 0 DEADHO Cc1cc(C[NH2+]C2CCN(C(=O)CN(C)C(C)C)CC2)cs1 ZINC001203925598 798435714 /nfs/dbraw/zinc/43/57/14/798435714.db2.gz SWUPGXPVCHRQPC-UHFFFAOYSA-N 1 3 323.506 2.477 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CCC1 ZINC001158923122 798490817 /nfs/dbraw/zinc/49/08/17/798490817.db2.gz OUSMKIUOOCDJPR-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCC1 ZINC001158923122 798490822 /nfs/dbraw/zinc/49/08/22/798490822.db2.gz OUSMKIUOOCDJPR-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CN(C)[C@H](C(=O)NCCC[NH2+]CC1CCC2(CC2)CC1)C1CC1 ZINC001159932571 798627755 /nfs/dbraw/zinc/62/77/55/798627755.db2.gz SASGMADGJLBUQZ-KRWDZBQOSA-N 1 3 321.509 2.393 20 0 DEADHO CN(C)[C@H](C(=O)NCCC[NH2+][C@@H]1CCc2ccccc21)C1CC1 ZINC001159933029 798628205 /nfs/dbraw/zinc/62/82/05/798628205.db2.gz YDKSXPVGAOOVLC-MSOLQXFVSA-N 1 3 315.461 2.110 20 0 DEADHO C[C@@H]([NH2+]CCCNC(=O)CN(C)C1CCC1)c1ccc(F)cc1 ZINC001160003098 798639291 /nfs/dbraw/zinc/63/92/91/798639291.db2.gz CRCYZALWNCOPPF-CQSZACIVSA-N 1 3 321.440 2.467 20 0 DEADHO CN(C)[C@H](C(=O)NCCC1=CC[N@H+](CCC2CC2)CC1)C1CC1 ZINC001160360274 798678927 /nfs/dbraw/zinc/67/89/27/798678927.db2.gz MNRKKSIKGPEHMM-SFHVURJKSA-N 1 3 319.493 2.265 20 0 DEADHO CN(C)[C@H](C(=O)NCCC1=CC[N@@H+](CCC2CC2)CC1)C1CC1 ZINC001160360274 798678931 /nfs/dbraw/zinc/67/89/31/798678931.db2.gz MNRKKSIKGPEHMM-SFHVURJKSA-N 1 3 319.493 2.265 20 0 DEADHO CC(C)=CC[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001160359870 798678983 /nfs/dbraw/zinc/67/89/83/798678983.db2.gz DNIYZVCYOBKSRP-SFHVURJKSA-N 1 3 319.493 2.431 20 0 DEADHO CC(C)=CC[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001160359870 798678986 /nfs/dbraw/zinc/67/89/86/798678986.db2.gz DNIYZVCYOBKSRP-SFHVURJKSA-N 1 3 319.493 2.431 20 0 DEADHO CC[C@H](C(=O)NCCC1=CC[N@H+](CC[C@H](C)F)CC1)N(C)C ZINC001160479065 798694515 /nfs/dbraw/zinc/69/45/15/798694515.db2.gz MAUOAONCQBKFIG-GOEBONIOSA-N 1 3 313.461 2.213 20 0 DEADHO CC[C@H](C(=O)NCCC1=CC[N@@H+](CC[C@H](C)F)CC1)N(C)C ZINC001160479065 798694519 /nfs/dbraw/zinc/69/45/19/798694519.db2.gz MAUOAONCQBKFIG-GOEBONIOSA-N 1 3 313.461 2.213 20 0 DEADHO CN(C)C1(C(=O)N2CCC([NH2+]CCC(F)(F)F)CC2)CCC1 ZINC001201037519 798708873 /nfs/dbraw/zinc/70/88/73/798708873.db2.gz KNCXDTLMALETJF-UHFFFAOYSA-N 1 3 321.387 2.004 20 0 DEADHO CCCCCC[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001201053858 798711558 /nfs/dbraw/zinc/71/15/58/798711558.db2.gz ZGXCVBMFXWLXEN-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO COc1ccc([C@H](C)N(C)C(=O)[C@@H](N)CCCC[NH+](C)C)cc1 ZINC001160685943 798722774 /nfs/dbraw/zinc/72/27/74/798722774.db2.gz KGKACYNLQJFGNE-YOEHRIQHSA-N 1 3 321.465 2.274 20 0 DEADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCC[C@H]1C1CCCCC1 ZINC001160828307 798746992 /nfs/dbraw/zinc/74/69/92/798746992.db2.gz YYMSHSJZIZSWSQ-SJORKVTESA-N 1 3 319.493 2.432 20 0 DEADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCC[C@H]1C1CCCCC1 ZINC001160828307 798746997 /nfs/dbraw/zinc/74/69/97/798746997.db2.gz YYMSHSJZIZSWSQ-SJORKVTESA-N 1 3 319.493 2.432 20 0 DEADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](C[C@H]3CC=CCC3)CC[C@@H]21 ZINC001201418249 798752526 /nfs/dbraw/zinc/75/25/26/798752526.db2.gz ZTAYFNSFZSXEEP-MHORFTMASA-N 1 3 315.465 2.029 20 0 DEADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](C[C@H]3CC=CCC3)CC[C@@H]21 ZINC001201418249 798752527 /nfs/dbraw/zinc/75/25/27/798752527.db2.gz ZTAYFNSFZSXEEP-MHORFTMASA-N 1 3 315.465 2.029 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+][C@@H](C)c1cccc(F)c1)N(C)C ZINC001160889642 798755835 /nfs/dbraw/zinc/75/58/35/798755835.db2.gz NDUMVIVXUGKHDO-XJKSGUPXSA-N 1 3 309.429 2.323 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001160890161 798756043 /nfs/dbraw/zinc/75/60/43/798756043.db2.gz XBUCSPLIXLHBGN-CQSZACIVSA-N 1 3 319.440 2.248 20 0 DEADHO CC(C)N1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](CC(C)(C)C)CC[C@@H]21 ZINC001201436290 798757253 /nfs/dbraw/zinc/75/72/53/798757253.db2.gz TWKQIDLKFYKTRA-IKGGRYGDSA-N 1 3 319.497 2.497 20 0 DEADHO CC(C)N1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](CC(C)(C)C)CC[C@@H]21 ZINC001201436290 798757255 /nfs/dbraw/zinc/75/72/55/798757255.db2.gz TWKQIDLKFYKTRA-IKGGRYGDSA-N 1 3 319.497 2.497 20 0 DEADHO CCC[C@H](C)C[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001201541065 798766228 /nfs/dbraw/zinc/76/62/28/798766228.db2.gz BWXOSSXCZHJWMT-INIZCTEOSA-N 1 3 319.493 2.247 20 0 DEADHO CCC[C@H](C)C[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001201541065 798766233 /nfs/dbraw/zinc/76/62/33/798766233.db2.gz BWXOSSXCZHJWMT-INIZCTEOSA-N 1 3 319.493 2.247 20 0 DEADHO CN(C)Cc1ccoc1C(=O)NCCC1=CC[N@H+](CCF)CC1 ZINC001161028043 798782351 /nfs/dbraw/zinc/78/23/51/798782351.db2.gz FAZFOSDGQSINGR-UHFFFAOYSA-N 1 3 323.412 2.063 20 0 DEADHO CN(C)Cc1ccoc1C(=O)NCCC1=CC[N@@H+](CCF)CC1 ZINC001161028043 798782353 /nfs/dbraw/zinc/78/23/53/798782353.db2.gz FAZFOSDGQSINGR-UHFFFAOYSA-N 1 3 323.412 2.063 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]Cc1ccc(C)nc1C ZINC001161251289 798816864 /nfs/dbraw/zinc/81/68/64/798816864.db2.gz MOMRGKZLFQTLKS-UHFFFAOYSA-N 1 3 320.481 2.025 20 0 DEADHO Cc1ccc([C@@H](C)C(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001161443243 798860302 /nfs/dbraw/zinc/86/03/02/798860302.db2.gz NSLNCQIFEISLIA-SJLPKXTDSA-N 1 3 317.477 2.241 20 0 DEADHO CN1CCN(CCCNc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC001161708431 798918493 /nfs/dbraw/zinc/91/84/93/798918493.db2.gz JIKKTGNFUPVFSC-UHFFFAOYSA-N 1 3 317.481 2.121 20 0 DEADHO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ccc(N2CCN(C)CC2)cc1 ZINC001162465475 799093804 /nfs/dbraw/zinc/09/38/04/799093804.db2.gz HHEXQOKHHWJWQR-IAGOWNOFSA-N 1 3 316.493 2.486 20 0 DEADHO CCN(CC)CC(=O)N(CC[NH2+]C(C)C)CCc1ccccc1 ZINC001162959826 799208399 /nfs/dbraw/zinc/20/83/99/799208399.db2.gz BXNYEXZOODSXER-UHFFFAOYSA-N 1 3 319.493 2.398 20 0 DEADHO C[NH+]1CCN(c2cccc(NCc3ccc4nccn4c3)n2)CC1 ZINC001163139417 799258839 /nfs/dbraw/zinc/25/88/39/799258839.db2.gz OOTOOQZQEWHXOR-UHFFFAOYSA-N 1 3 322.416 2.093 20 0 DEADHO c1cc2c(s1)[C@@H](Nc1c[nH+]ccc1N1CCOCC1)CNC2 ZINC001163228965 799282898 /nfs/dbraw/zinc/28/28/98/799282898.db2.gz NCHQABZYDZMHBZ-AWEZNQCLSA-N 1 3 316.430 2.236 20 0 DEADHO CCN([C@H]1CCOC1)C1CC[NH+](CCC2CCOCC2)CC1 ZINC001202664077 799353610 /nfs/dbraw/zinc/35/36/10/799353610.db2.gz HYJPADSULULYSD-SFHVURJKSA-N 1 3 310.482 2.378 20 0 DEADHO CN(C)[C@@H](C(=O)NCCC1(C[NH2+]CC2CCC2)CC1)C1CC1 ZINC001165485058 799737002 /nfs/dbraw/zinc/73/70/02/799737002.db2.gz KRBWPMUZNWGENH-MRXNPFEDSA-N 1 3 307.482 2.003 20 0 DEADHO CC[C@H](F)C[NH2+]CC1(CCNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001165617002 799751896 /nfs/dbraw/zinc/75/18/96/799751896.db2.gz FZRPOIDOBNVITG-GJZGRUSLSA-N 1 3 315.477 2.197 20 0 DEADHO CC(C)[C@H](C(=O)NCCC[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001166004075 799811427 /nfs/dbraw/zinc/81/14/27/799811427.db2.gz FFHDRAHRQMIOLE-QGZVFWFLSA-N 1 3 323.456 2.338 20 0 DEADHO CC(C)[C@H](C(=O)NCCC[NH2+]CC1CCC(C)CC1)N(C)C ZINC001166010911 799812538 /nfs/dbraw/zinc/81/25/38/799812538.db2.gz VEGXIWHFNSAKEW-OFLPRAFFSA-N 1 3 311.514 2.495 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]Cc1ccc(Cl)cc1 ZINC001166626939 799905154 /nfs/dbraw/zinc/90/51/54/799905154.db2.gz MQFHHQUCQGNMOE-CQSZACIVSA-N 1 3 323.868 2.420 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]Cc1ccc(CF)cc1 ZINC001166633694 799907447 /nfs/dbraw/zinc/90/74/47/799907447.db2.gz JUEGCYITFPOAMZ-HNNXBMFYSA-N 1 3 321.440 2.236 20 0 DEADHO C[C@@H]([NH2+]CCCNC(=O)CN1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC001166678913 799919564 /nfs/dbraw/zinc/91/95/64/799919564.db2.gz ZAIKDDUAVDIGGS-HUUCEWRRSA-N 1 3 321.440 2.324 20 0 DEADHO CC1(C)CCN(CC(=O)NCCC[NH2+]CCc2ccccc2)C1 ZINC001166744527 799938174 /nfs/dbraw/zinc/93/81/74/799938174.db2.gz YOMLSBKDHFHHTA-UHFFFAOYSA-N 1 3 317.477 2.057 20 0 DEADHO CC1(C)CCN(CC(=O)NCCC[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001166764918 799944670 /nfs/dbraw/zinc/94/46/70/799944670.db2.gz OCPLDUQZPOUMNN-IXDOHACOSA-N 1 3 321.509 2.250 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001166858748 799967042 /nfs/dbraw/zinc/96/70/42/799967042.db2.gz ZQQDDAKJNVZAKU-HNNXBMFYSA-N 1 3 311.857 2.276 20 0 DEADHO CCC[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C12CCC2 ZINC001203427011 800045442 /nfs/dbraw/zinc/04/54/42/800045442.db2.gz SCNLPUMHVXDDHI-HUUCEWRRSA-N 1 3 309.498 2.391 20 0 DEADHO CCC/C=C\CC[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203709291 800109913 /nfs/dbraw/zinc/10/99/13/800109913.db2.gz QIRIZPBFHFMFQZ-PLNGDYQASA-N 1 3 307.482 2.409 20 0 DEADHO Cc1c(CN2CCC(COCC[NH+]3CCCC3)CC2)cnn1C ZINC001204569928 800232312 /nfs/dbraw/zinc/23/23/12/800232312.db2.gz USRCQBYWOOFQBM-UHFFFAOYSA-N 1 3 320.481 2.053 20 0 DEADHO CC(C)Oc1cccc(CN2CCC[C@](O)(C[NH3+])CC2)c1F ZINC001205247988 800330385 /nfs/dbraw/zinc/33/03/85/800330385.db2.gz LNDWEHGGYWUNHG-QGZVFWFLSA-N 1 3 310.413 2.289 20 0 DEADHO CN(C)C1(C(=O)N2CCC(C[NH2+]C/C=C/Cl)CC2)CCC1 ZINC001205457825 800359756 /nfs/dbraw/zinc/35/97/56/800359756.db2.gz RCYABECUZICJPI-RUDMXATFSA-N 1 3 313.873 2.051 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC(C[NH2+]CC[C@H](C)F)CC1)N(C)C ZINC001205490374 800363845 /nfs/dbraw/zinc/36/38/45/800363845.db2.gz CLQNFIQEDPRGFY-HOCLYGCPSA-N 1 3 315.477 2.149 20 0 DEADHO COC(=O)c1cc(CN2CCC[C@@](F)(C[NH3+])CC2)ccc1OC ZINC001205581465 800381257 /nfs/dbraw/zinc/38/12/57/800381257.db2.gz UGLQENFIQVSQIX-KRWDZBQOSA-N 1 3 324.396 2.135 20 0 DEADHO CCn1ccc2ccc(CN3CCCC[C@@](O)(C[NH3+])C3)cc21 ZINC001205673254 800398768 /nfs/dbraw/zinc/39/87/68/800398768.db2.gz OTHIBCCUXPIETK-GOSISDBHSA-N 1 3 301.434 2.337 20 0 DEADHO CCn1ccc2ccc(C[N@@H+]3CCCC[C@@](O)(CN)C3)cc21 ZINC001205673254 800398774 /nfs/dbraw/zinc/39/87/74/800398774.db2.gz OTHIBCCUXPIETK-GOSISDBHSA-N 1 3 301.434 2.337 20 0 DEADHO CCn1ccc2ccc(C[N@H+]3CCCC[C@@](O)(CN)C3)cc21 ZINC001205673254 800398782 /nfs/dbraw/zinc/39/87/82/800398782.db2.gz OTHIBCCUXPIETK-GOSISDBHSA-N 1 3 301.434 2.337 20 0 DEADHO NC[C@]1(O)CCCC[N@H+](Cc2ccc(-c3ccncc3)cc2)C1 ZINC001205683323 800401224 /nfs/dbraw/zinc/40/12/24/800401224.db2.gz YLNOTVSDTCFIRE-LJQANCHMSA-N 1 3 311.429 2.424 20 0 DEADHO NC[C@]1(O)CCCC[N@@H+](Cc2ccc(-c3ccncc3)cc2)C1 ZINC001205683323 800401227 /nfs/dbraw/zinc/40/12/27/800401227.db2.gz YLNOTVSDTCFIRE-LJQANCHMSA-N 1 3 311.429 2.424 20 0 DEADHO [NH3+]C[C@]1(O)CCCCN(Cc2ccc(-c3ccncc3)cc2)C1 ZINC001205683323 800401233 /nfs/dbraw/zinc/40/12/33/800401233.db2.gz YLNOTVSDTCFIRE-LJQANCHMSA-N 1 3 311.429 2.424 20 0 DEADHO N[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@H]1F ZINC001206164556 800482461 /nfs/dbraw/zinc/48/24/61/800482461.db2.gz KJZRVRQGFWEYEC-CABCVRRESA-N 1 3 306.360 2.477 20 0 DEADHO N[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@H]1F ZINC001206164556 800482464 /nfs/dbraw/zinc/48/24/64/800482464.db2.gz KJZRVRQGFWEYEC-CABCVRRESA-N 1 3 306.360 2.477 20 0 DEADHO COC(=O)Cc1ccc(CN2CCCC[C@](C)(C[NH3+])C2)cc1 ZINC001206556735 800554630 /nfs/dbraw/zinc/55/46/30/800554630.db2.gz WKVRKFTUPADFLR-GOSISDBHSA-N 1 3 304.434 2.353 20 0 DEADHO COC(=O)COc1ccc(CN2CCCC[C@](C)(C[NH3+])C2)cc1 ZINC001206556883 800554801 /nfs/dbraw/zinc/55/48/01/800554801.db2.gz ZGUPHXDOZFWVON-GOSISDBHSA-N 1 3 320.433 2.189 20 0 DEADHO CN1CCN(CCCO[C@@H](CC[NH+](C)C)c2ccccc2)CC1 ZINC001206591917 800560716 /nfs/dbraw/zinc/56/07/16/800560716.db2.gz XVVISHMKLUUJCX-IBGZPJMESA-N 1 3 319.493 2.334 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000935571125 800698234 /nfs/dbraw/zinc/69/82/34/800698234.db2.gz CHMUNBBBYILFBB-GOSISDBHSA-N 1 3 317.477 2.280 20 0 DEADHO CN(C)CC(C)(C)C[NH+]1C[C@@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001207279604 800722895 /nfs/dbraw/zinc/72/28/95/800722895.db2.gz LUOWCPQMUQWZAO-ROUUACIJSA-N 1 3 316.493 2.033 20 0 DEADHO CC(C)(C[N@@H+]1CCCC[C@@H]1CCN1CCCC1)N1CCOCC1 ZINC001207303666 800726012 /nfs/dbraw/zinc/72/60/12/800726012.db2.gz NCHWWRPFWGEDTA-GOSISDBHSA-N 1 3 323.525 2.438 20 0 DEADHO CC(C)(C[N@H+]1CCCC[C@@H]1CCN1CCCC1)N1CCOCC1 ZINC001207303666 800726017 /nfs/dbraw/zinc/72/60/17/800726017.db2.gz NCHWWRPFWGEDTA-GOSISDBHSA-N 1 3 323.525 2.438 20 0 DEADHO CC(C)(C)OC(=O)N1C[C@H]2[C@H]1CCCN2CC1CC[NH2+]CC1 ZINC001207435729 800750789 /nfs/dbraw/zinc/75/07/89/800750789.db2.gz KXWHIDSLHWYZBR-CABCVRRESA-N 1 3 309.454 2.070 20 0 DEADHO C[NH+]1CCC(CCN2CCN(c3cccc(O)c3)CC2)CC1 ZINC001207487894 800766114 /nfs/dbraw/zinc/76/61/14/800766114.db2.gz XQOOYOGNDIVGJF-UHFFFAOYSA-N 1 3 303.450 2.246 20 0 DEADHO C[NH+]1CCC(CN2CCN(CCc3ccccc3F)CC2)CC1 ZINC001207502854 800768642 /nfs/dbraw/zinc/76/86/42/800768642.db2.gz KSTJINMKPDXTDC-UHFFFAOYSA-N 1 3 319.468 2.328 20 0 DEADHO CCOCOc1ccc(C[N@@H+]2C[C@H]3CN(C)C[C@@]3(C)C2)cc1 ZINC001207692448 800808559 /nfs/dbraw/zinc/80/85/59/800808559.db2.gz ZLUWFOLAUWFKBS-AEFFLSMTSA-N 1 3 304.434 2.443 20 0 DEADHO CCOCOc1ccc(C[N@H+]2C[C@H]3CN(C)C[C@@]3(C)C2)cc1 ZINC001207692448 800808566 /nfs/dbraw/zinc/80/85/66/800808566.db2.gz ZLUWFOLAUWFKBS-AEFFLSMTSA-N 1 3 304.434 2.443 20 0 DEADHO CN1CC2(C1)CC[NH+](CCC1CN(C(=O)OC(C)(C)C)C1)CC2 ZINC001207769540 800827117 /nfs/dbraw/zinc/82/71/17/800827117.db2.gz ALMLHBYCYRUACO-UHFFFAOYSA-N 1 3 323.481 2.271 20 0 DEADHO CC1(C[N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)COC1 ZINC001207799889 800837890 /nfs/dbraw/zinc/83/78/90/800837890.db2.gz HIEMNWPUYFFLPI-MSOLQXFVSA-N 1 3 300.446 2.477 20 0 DEADHO CC1(C[N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)COC1 ZINC001207799889 800837897 /nfs/dbraw/zinc/83/78/97/800837897.db2.gz HIEMNWPUYFFLPI-MSOLQXFVSA-N 1 3 300.446 2.477 20 0 DEADHO CC1(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)COC1 ZINC001207799889 800837904 /nfs/dbraw/zinc/83/79/04/800837904.db2.gz HIEMNWPUYFFLPI-MSOLQXFVSA-N 1 3 300.446 2.477 20 0 DEADHO CC1(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)COC1 ZINC001207799889 800837912 /nfs/dbraw/zinc/83/79/12/800837912.db2.gz HIEMNWPUYFFLPI-MSOLQXFVSA-N 1 3 300.446 2.477 20 0 DEADHO CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001207859445 800849476 /nfs/dbraw/zinc/84/94/76/800849476.db2.gz RBUSLOJJDMCERI-IAGOWNOFSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001207859445 800849482 /nfs/dbraw/zinc/84/94/82/800849482.db2.gz RBUSLOJJDMCERI-IAGOWNOFSA-N 1 3 321.509 2.488 20 0 DEADHO CCNC(=O)OC1CC[NH+](CC2(CN(C)C)CCCC2)CC1 ZINC001208188189 800926594 /nfs/dbraw/zinc/92/65/94/800926594.db2.gz USRBPLCALQFBBZ-UHFFFAOYSA-N 1 3 311.470 2.319 20 0 DEADHO CN(C)CC1(C[NH+]2CCC(Oc3ccncn3)CC2)CCCC1 ZINC001208188676 800926851 /nfs/dbraw/zinc/92/68/51/800926851.db2.gz MUVHUGBWAUVXEF-UHFFFAOYSA-N 1 3 318.465 2.442 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1C)N(C)C ZINC001208515536 801001144 /nfs/dbraw/zinc/00/11/44/801001144.db2.gz RTWPATLKLXEHSA-DJIMGWMZSA-N 1 3 323.525 2.445 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1C)N(C)C ZINC001208515536 801001149 /nfs/dbraw/zinc/00/11/49/801001149.db2.gz RTWPATLKLXEHSA-DJIMGWMZSA-N 1 3 323.525 2.445 20 0 DEADHO CC[NH+]1CCC(CN2CC3(C2)CN(c2ccccc2)C3=O)CC1 ZINC001208597069 801023368 /nfs/dbraw/zinc/02/33/68/801023368.db2.gz BSNCHHVFWHDQHN-UHFFFAOYSA-N 1 3 313.445 2.067 20 0 DEADHO CC(C)N1CCOC[C@]2(CCC[N@H+](C[C@H]3CCCN(C)C3)C2)C1 ZINC001208606111 801029208 /nfs/dbraw/zinc/02/92/08/801029208.db2.gz CMWWJKQAJOZXPL-OALUTQOASA-N 1 3 323.525 2.151 20 0 DEADHO CC(C)N1CCOC[C@]2(CCC[N@@H+](C[C@H]3CCCN(C)C3)C2)C1 ZINC001208606111 801029213 /nfs/dbraw/zinc/02/92/13/801029213.db2.gz CMWWJKQAJOZXPL-OALUTQOASA-N 1 3 323.525 2.151 20 0 DEADHO COC(=O)C1CC[NH+](C[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001208940170 801098238 /nfs/dbraw/zinc/09/82/38/801098238.db2.gz AQSFRAOWKIDTSD-KRWDZBQOSA-N 1 3 316.445 2.394 20 0 DEADHO C[NH+](C)CCCC(=O)N1CCC[C@@H](NCc2ccccc2F)C1 ZINC001209313610 801168693 /nfs/dbraw/zinc/16/86/93/801168693.db2.gz FMDHCCZLTUFRCZ-MRXNPFEDSA-N 1 3 321.440 2.248 20 0 DEADHO CN(C)C(=O)[C@@H]1CC12CC[NH+](CCCN1CCCCC1)CC2 ZINC001209451425 801193964 /nfs/dbraw/zinc/19/39/64/801193964.db2.gz WVUZQTNWUQJAKX-INIZCTEOSA-N 1 3 307.482 2.053 20 0 DEADHO CC[C@H](CN1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001209460063 801196282 /nfs/dbraw/zinc/19/62/82/801196282.db2.gz DZASMHZYYCFUTH-QLFBSQMISA-N 1 3 311.470 2.173 20 0 DEADHO CC[C@H](CN1C[C@@H]2C[N@H+](C)CC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001209460063 801196283 /nfs/dbraw/zinc/19/62/83/801196283.db2.gz DZASMHZYYCFUTH-QLFBSQMISA-N 1 3 311.470 2.173 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001209633367 801239842 /nfs/dbraw/zinc/23/98/42/801239842.db2.gz TTZZBCBYJNDZQF-QWHCGFSZSA-N 1 3 321.387 2.004 20 0 DEADHO CC(C)(C)CCC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001209836431 801293668 /nfs/dbraw/zinc/29/36/68/801293668.db2.gz KMLAMGXBUGOYMD-CQSZACIVSA-N 1 3 306.454 2.359 20 0 DEADHO C[C@@H]1CNCC(F)(F)[C@@H]1C[N@@H+]1CCNC[C@H]1c1ccccc1 ZINC001210194746 801350077 /nfs/dbraw/zinc/35/00/77/801350077.db2.gz ANPCNWJXZCLRSH-BMFZPTHFSA-N 1 3 309.404 2.124 20 0 DEADHO C[C@@H]1CNCC(F)(F)[C@@H]1C[N@H+]1CCNC[C@H]1c1ccccc1 ZINC001210194746 801350084 /nfs/dbraw/zinc/35/00/84/801350084.db2.gz ANPCNWJXZCLRSH-BMFZPTHFSA-N 1 3 309.404 2.124 20 0 DEADHO Cc1cccc2ncc(Nc3ccnc(N4CC[NH2+]CC4)c3)n21 ZINC001210264516 801361689 /nfs/dbraw/zinc/36/16/89/801361689.db2.gz RTYMDQDSNFZOGR-UHFFFAOYSA-N 1 3 308.389 2.191 20 0 DEADHO Nc1[nH]c2ccc(O[C@H]3CC[C@@H](N4CCOCC4)CC3)cc2[nH+]1 ZINC001230518627 801409741 /nfs/dbraw/zinc/40/97/41/801409741.db2.gz SBIXFXQBXDFWTL-BETUJISGSA-N 1 3 316.405 2.167 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001210783339 801463214 /nfs/dbraw/zinc/46/32/14/801463214.db2.gz RVIFPXBRZWUPIJ-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]Cc2csc(C)c2)C1 ZINC001210810635 801468680 /nfs/dbraw/zinc/46/86/80/801468680.db2.gz BNZGRATXVBBSQD-INIZCTEOSA-N 1 3 323.506 2.479 20 0 DEADHO COC(=O)c1cccc(CN(C)CC2CC[NH+](C(C)C)CC2)n1 ZINC001231426475 801666316 /nfs/dbraw/zinc/66/63/16/801666316.db2.gz ZBVDOGJHJMEHGV-UHFFFAOYSA-N 1 3 319.449 2.420 20 0 DEADHO CN(Cc1ccc(N2CC[NH+](C)CC2)nc1)C1CC(F)(F)C1 ZINC001232360080 801860149 /nfs/dbraw/zinc/86/01/49/801860149.db2.gz AAEVQJWHTLGUCU-UHFFFAOYSA-N 1 3 310.392 2.063 20 0 DEADHO CC[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001215563863 801877766 /nfs/dbraw/zinc/87/77/66/801877766.db2.gz SXCQUSCUNMHGKU-BZUAXINKSA-N 1 3 311.514 2.447 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCC2)C1 ZINC001216511146 801982497 /nfs/dbraw/zinc/98/24/97/801982497.db2.gz KFOLKZAMVHOECV-NVXWUHKLSA-N 1 3 309.498 2.345 20 0 DEADHO CC1(C)N[C@@H](CO[C@H]2CCC[N@H+](Cc3ccccc3)C2)CO1 ZINC001217823245 802113907 /nfs/dbraw/zinc/11/39/07/802113907.db2.gz PEKHHMMTPVIPOG-IRXDYDNUSA-N 1 3 304.434 2.392 20 0 DEADHO CC1(C)N[C@@H](CO[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CO1 ZINC001217823245 802113909 /nfs/dbraw/zinc/11/39/09/802113909.db2.gz PEKHHMMTPVIPOG-IRXDYDNUSA-N 1 3 304.434 2.392 20 0 DEADHO N[C@@H](CCCC[NH3+])C(=O)Nc1cc(-c2cccc(F)c2)ccn1 ZINC001218530466 802199475 /nfs/dbraw/zinc/19/94/75/802199475.db2.gz RWDWFUZSZQZJAJ-HNNXBMFYSA-N 1 3 316.380 2.283 20 0 DEADHO N[C@@H](CCCC[NH3+])C(=O)Nc1cnc2cc(Cl)ccc2c1 ZINC001218649087 802221714 /nfs/dbraw/zinc/22/17/14/802221714.db2.gz QDYKJFHRNCHOFW-ZDUSSCGKSA-N 1 3 306.797 2.283 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1scnc1C1CC1 ZINC001218805844 802243254 /nfs/dbraw/zinc/24/32/54/802243254.db2.gz ACXHOQBMXFZUCJ-LBPRGKRZSA-N 1 3 310.467 2.455 20 0 DEADHO Cc1ccc(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)c2n[nH]cc21 ZINC001218829716 802246838 /nfs/dbraw/zinc/24/68/38/802246838.db2.gz KOKMBUOASMXNOQ-AWEZNQCLSA-N 1 3 317.437 2.305 20 0 DEADHO CCOc1ccc(C[C@H](N)C(=O)Nc2ccc(C[NH3+])cc2)cc1 ZINC001219345604 802313871 /nfs/dbraw/zinc/31/38/71/802313871.db2.gz VWMOXIAPLIVMQH-KRWDZBQOSA-N 1 3 313.401 2.053 20 0 DEADHO CCC[C@H](N)C(=O)N[C@@H]1CC2(CC[NH2+]CC2)c2ccc(C)cc21 ZINC001219753234 802375633 /nfs/dbraw/zinc/37/56/33/802375633.db2.gz DITFWTJLRGXHAV-DLBZAZTESA-N 1 3 315.461 2.305 20 0 DEADHO Cc1ccc([C@@H](C)NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)nc1 ZINC001220267032 802436689 /nfs/dbraw/zinc/43/66/89/802436689.db2.gz ZAVYAIHUZSDXPB-CABCVRRESA-N 1 3 306.454 2.063 20 0 DEADHO CC(C)(NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)c1cccc(F)c1 ZINC001220393385 802452588 /nfs/dbraw/zinc/45/25/88/802452588.db2.gz UNMRBKZNXRKUGN-OAHLLOKOSA-N 1 3 319.424 2.051 20 0 DEADHO CC(C)(NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)c1cccc(F)c1 ZINC001220393385 802452592 /nfs/dbraw/zinc/45/25/92/802452592.db2.gz UNMRBKZNXRKUGN-OAHLLOKOSA-N 1 3 319.424 2.051 20 0 DEADHO N[C@H](C(=O)N[C@H](c1ccccc1)C1CCCC1)C1CC[NH2+]CC1 ZINC001220441094 802460792 /nfs/dbraw/zinc/46/07/92/802460792.db2.gz RBDDVMHRCGCWGN-ZWKOTPCHSA-N 1 3 315.461 2.361 20 0 DEADHO N[C@@H](CC1CCC1)C(=O)NCC1(CC2CCC2)CC[NH2+]CC1 ZINC001221130404 802532277 /nfs/dbraw/zinc/53/22/77/802532277.db2.gz QPKXTVSJZGZBMD-INIZCTEOSA-N 1 3 307.482 2.180 20 0 DEADHO C[C@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)[C@@H]1CCC3(CC[NH2+]CC3)N1)C2(C)C ZINC001221199462 802536895 /nfs/dbraw/zinc/53/68/95/802536895.db2.gz NHAOLSDAFXEMGN-ARKGTOAJSA-N 1 3 319.493 2.048 20 0 DEADHO C[C@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)[C@@H]1CCC3(CCNCC3)[NH2+]1)C2(C)C ZINC001221199462 802536899 /nfs/dbraw/zinc/53/68/99/802536899.db2.gz NHAOLSDAFXEMGN-ARKGTOAJSA-N 1 3 319.493 2.048 20 0 DEADHO CN(C)C1(C(=O)NCC2CC[NH+](CCC3CC3)CC2)CCC1 ZINC001223449191 802791083 /nfs/dbraw/zinc/79/10/83/802791083.db2.gz GIRWFWHHRNRVLL-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO CC1CC(C[NH+]2CCC(CNC(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001223472315 802793045 /nfs/dbraw/zinc/79/30/45/802793045.db2.gz NOXRHWWAJQTGEA-JFUPDXTOSA-N 1 3 321.509 2.201 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CC3CC3)[C@H]2C1)N(CC)CC ZINC001223489515 802795307 /nfs/dbraw/zinc/79/53/07/802795307.db2.gz QETFCPDMWHOWLV-SQNIBIBYSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CC3CC3)[C@H]2C1)N(CC)CC ZINC001223489515 802795311 /nfs/dbraw/zinc/79/53/11/802795311.db2.gz QETFCPDMWHOWLV-SQNIBIBYSA-N 1 3 321.509 2.440 20 0 DEADHO CCCC[NH+]1CCC(CNC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001225543756 802980720 /nfs/dbraw/zinc/98/07/20/802980720.db2.gz YPLHAZDXUFPNTF-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)[C@H](C(=O)NC1CC[NH+](CCCC2CCC2)CC1)C1CC1 ZINC001227817433 803284257 /nfs/dbraw/zinc/28/42/57/803284257.db2.gz LFTWMYAKNNEIQT-SFHVURJKSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC12CC[NH+](CC1CCC1)CC2)N(C)C ZINC001370077229 1149380109 /nfs/dbraw/zinc/38/01/09/1149380109.db2.gz GWAZORBGUDNHFF-IRXDYDNUSA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1cccc(F)c1)C1CC1)N(C)C ZINC001370259131 1149438106 /nfs/dbraw/zinc/43/81/06/1149438106.db2.gz BOWRGURPRORUML-SJORKVTESA-N 1 3 321.440 2.150 20 0 DEADHO Cc1ccccc1C[NH2+][C@H](CNC(=O)CN(C)C(C)C)C1CC1 ZINC001370279449 1149465855 /nfs/dbraw/zinc/46/58/55/1149465855.db2.gz XHMRTSQBPQOPAY-GOSISDBHSA-N 1 3 317.477 2.320 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H](C[N@H+](C)CC[C@H](C)F)C1 ZINC001419353156 1168418415 /nfs/dbraw/zinc/41/84/15/1168418415.db2.gz YKPGEQLWVOODIQ-HOTGVXAUSA-N 1 3 315.477 2.247 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H](C[N@@H+](C)CC[C@H](C)F)C1 ZINC001419353156 1168418418 /nfs/dbraw/zinc/41/84/18/1168418418.db2.gz YKPGEQLWVOODIQ-HOTGVXAUSA-N 1 3 315.477 2.247 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC001370432725 1149712707 /nfs/dbraw/zinc/71/27/07/1149712707.db2.gz WPKPUZMVYHTGDG-FUHWJXTLSA-N 1 3 315.461 2.205 20 0 DEADHO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)[C@@H](N)CC2CC2)CC1 ZINC001575124499 1069371862 /nfs/dbraw/zinc/37/18/62/1069371862.db2.gz CUJAJDWIZVFYFW-HNNXBMFYSA-N 1 3 309.498 2.473 20 0 DEADHO CC(C)(C)N1CC[C@](F)(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC001575139182 1069377190 /nfs/dbraw/zinc/37/71/90/1069377190.db2.gz JHVINSIBYWQOKN-GOSISDBHSA-N 1 3 319.424 2.483 20 0 DEADHO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CC2(CN)CCC2)CC1 ZINC001575188350 1069388977 /nfs/dbraw/zinc/38/89/77/1069388977.db2.gz YEJPCGUHWZLJLU-CQSZACIVSA-N 1 3 311.470 2.495 20 0 DEADHO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]CC2(CN)CCC2)C1(C)C ZINC001575212131 1069392880 /nfs/dbraw/zinc/39/28/80/1069392880.db2.gz FYKBDRVIQQYFSO-OLZOCXBDSA-N 1 3 311.470 2.397 20 0 DEADHO C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(-c2nnn[n-]2)cc1F ZINC001603662275 1070029995 /nfs/dbraw/zinc/02/99/95/1070029995.db2.gz JNJDKQQNVCVHOV-AAEUAGOBSA-N 1 3 318.400 2.189 20 0 DEADHO C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(-c2nn[n-]n2)cc1F ZINC001603662275 1070030009 /nfs/dbraw/zinc/03/00/09/1070030009.db2.gz JNJDKQQNVCVHOV-AAEUAGOBSA-N 1 3 318.400 2.189 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CCCN(C/C=C\Cl)CC1)[NH+](C)C ZINC001368519267 1148475285 /nfs/dbraw/zinc/47/52/85/1148475285.db2.gz YEKFLOLDUPSNMB-AJNJCKRNSA-N 1 3 315.889 2.296 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[N@H+](C)Cc1ccc(F)cc1C ZINC001368990945 1148819566 /nfs/dbraw/zinc/81/95/66/1148819566.db2.gz CFXSAZQGBQNCDA-HNNXBMFYSA-N 1 3 323.456 2.412 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(F)cc1C ZINC001368990945 1148819571 /nfs/dbraw/zinc/81/95/71/1148819571.db2.gz CFXSAZQGBQNCDA-HNNXBMFYSA-N 1 3 323.456 2.412 20 0 DEADHO Cc1ccc(F)cc1CN(C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001369011970 1148828547 /nfs/dbraw/zinc/82/85/47/1148828547.db2.gz XWRYXVHFIOXMJD-LSDHHAIUSA-N 1 3 321.440 2.022 20 0 DEADHO Cc1ccc(F)cc1CN(C)[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001369011970 1148828549 /nfs/dbraw/zinc/82/85/49/1148828549.db2.gz XWRYXVHFIOXMJD-LSDHHAIUSA-N 1 3 321.440 2.022 20 0 DEADHO CCC(CC)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@@H]2C1 ZINC001369140494 1148855684 /nfs/dbraw/zinc/85/56/84/1148855684.db2.gz LRJQYJABVUHUOQ-LEUOFYLZSA-N 1 3 321.509 2.058 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@@H]2C1 ZINC001369140494 1148855685 /nfs/dbraw/zinc/85/56/85/1148855685.db2.gz LRJQYJABVUHUOQ-LEUOFYLZSA-N 1 3 321.509 2.058 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]C/C=C\Cl)C[C@H]1C ZINC001499858152 1058328567 /nfs/dbraw/zinc/32/85/67/1058328567.db2.gz RVYVLYJTACTHRD-RKWPFYGESA-N 1 3 301.862 2.048 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C)cc1 ZINC001499943167 1058390307 /nfs/dbraw/zinc/39/03/07/1058390307.db2.gz BFJGYTZEBLUBSU-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CC1(C)CO[C@@H](CN2CCC(O)(C[NH+]3CCCCC3)CC2)C1 ZINC001460941594 1058546990 /nfs/dbraw/zinc/54/69/90/1058546990.db2.gz KKSXXQNEBIXKAJ-MRXNPFEDSA-N 1 3 310.482 2.114 20 0 DEADHO CN(C)C1(C(=O)NC[C@]2(C)CCC[N@H+](CCC3CC3)C2)CCC1 ZINC001500502568 1058862593 /nfs/dbraw/zinc/86/25/93/1058862593.db2.gz XLCWDEXXYVWRMQ-SFHVURJKSA-N 1 3 321.509 2.489 20 0 DEADHO CN(C)C1(C(=O)NC[C@]2(C)CCC[N@@H+](CCC3CC3)C2)CCC1 ZINC001500502568 1058862617 /nfs/dbraw/zinc/86/26/17/1058862617.db2.gz XLCWDEXXYVWRMQ-SFHVURJKSA-N 1 3 321.509 2.489 20 0 DEADHO c1ccc2c(c1)CO[C@@H]2CNC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001462660296 1058876314 /nfs/dbraw/zinc/87/63/14/1058876314.db2.gz JEBJMIANWYHTLM-IEBWSBKVSA-N 1 3 316.445 2.491 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]CC[C@H](C)F)CCC1 ZINC001501960024 1059807157 /nfs/dbraw/zinc/80/71/57/1059807157.db2.gz FYVHAJSDNMUYTF-GJZGRUSLSA-N 1 3 313.461 2.237 20 0 DEADHO CC(C)(C(=O)NCC1([NH2+]C/C=C\Cl)CCC1)N1CCCC1 ZINC001501989160 1059837635 /nfs/dbraw/zinc/83/76/35/1059837635.db2.gz WAXFGMHPHZIGNJ-TWGQIWQCSA-N 1 3 313.873 2.242 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001502125417 1059965033 /nfs/dbraw/zinc/96/50/33/1059965033.db2.gz BZQSQVQHGYAJFL-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001502125417 1059965054 /nfs/dbraw/zinc/96/50/54/1059965054.db2.gz BZQSQVQHGYAJFL-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CCCCCF)CC1)N(C)C ZINC001502142285 1059987522 /nfs/dbraw/zinc/98/75/22/1059987522.db2.gz DQWJOJZBFBKALY-HOTGVXAUSA-N 1 3 315.477 2.437 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCCCCF)CC1)N(C)C ZINC001502142285 1059987531 /nfs/dbraw/zinc/98/75/31/1059987531.db2.gz DQWJOJZBFBKALY-HOTGVXAUSA-N 1 3 315.477 2.437 20 0 DEADHO CC[C@H](F)C[NH2+]C1(CC)CCN(C(=O)CN2CCCC2)CC1 ZINC001502515855 1060162357 /nfs/dbraw/zinc/16/23/57/1060162357.db2.gz PJTBMERQYSOTFM-HNNXBMFYSA-N 1 3 313.461 2.191 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+]CCCC2(O)CCC2)CC1 ZINC001474585996 1060900729 /nfs/dbraw/zinc/90/07/29/1060900729.db2.gz JDQULLPYBXYKED-UHFFFAOYSA-N 1 3 310.482 2.305 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001505734041 1060910709 /nfs/dbraw/zinc/91/07/09/1060910709.db2.gz BYHROQWYTHVXTE-KBPBESRZSA-N 1 3 309.429 2.150 20 0 DEADHO C[C@@H](CNC(=O)CC[NH+](C)C)N(C)Cc1cccc(Cl)c1 ZINC001505992190 1061229032 /nfs/dbraw/zinc/22/90/32/1061229032.db2.gz AMFAKDQAGWQPAG-ZDUSSCGKSA-N 1 3 311.857 2.228 20 0 DEADHO Cc1ccc(F)cc1C[N@@H+](C)CCCNC(=O)CN(C)C(C)C ZINC001479816238 1061831406 /nfs/dbraw/zinc/83/14/06/1061831406.db2.gz RTGVOUUUAUPDRX-UHFFFAOYSA-N 1 3 323.456 2.412 20 0 DEADHO Cc1ccc(F)cc1C[N@H+](C)CCCNC(=O)CN(C)C(C)C ZINC001479816238 1061831422 /nfs/dbraw/zinc/83/14/22/1061831422.db2.gz RTGVOUUUAUPDRX-UHFFFAOYSA-N 1 3 323.456 2.412 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C2CC2)C1 ZINC001480047032 1062237470 /nfs/dbraw/zinc/23/74/70/1062237470.db2.gz NVFZNLMDLDPXOP-GOEBONIOSA-N 1 3 309.498 2.249 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2)C1 ZINC001506904124 1062494694 /nfs/dbraw/zinc/49/46/94/1062494694.db2.gz YNGGLLYXASMCNP-QAQDUYKDSA-N 1 3 303.450 2.013 20 0 DEADHO C[C@H](CCC[NH2+]C/C=C/Cl)NC(=O)C1(N(C)C)CCC1 ZINC001506924558 1062536617 /nfs/dbraw/zinc/53/66/17/1062536617.db2.gz OGPXHZSCIPTZAY-BCRSCGJKSA-N 1 3 301.862 2.098 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccsc2)[C@@H]1C ZINC001507299692 1063054920 /nfs/dbraw/zinc/05/49/20/1063054920.db2.gz WOYHSCKYXAINTN-DZGCQCFKSA-N 1 3 309.479 2.167 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CCC(C)(C)C)C2)CC1 ZINC001480622402 1063113826 /nfs/dbraw/zinc/11/38/26/1063113826.db2.gz LWERXEWXHKRVRG-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001480635087 1063131735 /nfs/dbraw/zinc/13/17/35/1063131735.db2.gz BYTUPWDBKBWKKT-SJORKVTESA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)(C)[C@H](C[NH2+]CC1CC1)NC(=O)C(C)(C)N1CCCC1 ZINC001507990363 1063492043 /nfs/dbraw/zinc/49/20/43/1063492043.db2.gz LGRCQRJSNUMECL-HNNXBMFYSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CC[NH+](CC2CC2)CC1 ZINC001508060216 1063525834 /nfs/dbraw/zinc/52/58/34/1063525834.db2.gz YVWCOJJTRHLXEW-CQSZACIVSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H](NC(=O)CC[NH+](C)C)C1CCN(CCC(F)(F)F)CC1 ZINC001508065389 1063532918 /nfs/dbraw/zinc/53/29/18/1063532918.db2.gz XUODNRSNQSCPDP-GFCCVEGCSA-N 1 3 323.403 2.107 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1=CC[N@H+](CC2CCCC2)CC1 ZINC001508228540 1063621655 /nfs/dbraw/zinc/62/16/55/1063621655.db2.gz HGGZQTGTBXQZCI-UHFFFAOYSA-N 1 3 316.449 2.199 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1=CC[N@@H+](CC2CCCC2)CC1 ZINC001508228540 1063621662 /nfs/dbraw/zinc/62/16/62/1063621662.db2.gz HGGZQTGTBXQZCI-UHFFFAOYSA-N 1 3 316.449 2.199 20 0 DEADHO CCC(CC)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001493236704 1063658982 /nfs/dbraw/zinc/65/89/82/1063658982.db2.gz LZWNDEOUJYEFDM-IAGOWNOFSA-N 1 3 311.514 2.447 20 0 DEADHO CCC(CC)C[N@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001493236704 1063658987 /nfs/dbraw/zinc/65/89/87/1063658987.db2.gz LZWNDEOUJYEFDM-IAGOWNOFSA-N 1 3 311.514 2.447 20 0 DEADHO CN(CC[NH2+]Cc1cc2ccccc2o1)C(=O)[C@@H]1CCCN1C ZINC001493501402 1063836334 /nfs/dbraw/zinc/83/63/34/1063836334.db2.gz UOMOTRDPZDEREZ-INIZCTEOSA-N 1 3 315.417 2.075 20 0 DEADHO CCc1ccccc1C[NH2+]CCN(C)C(=O)[C@H](CC)N(C)C ZINC001493762717 1063952788 /nfs/dbraw/zinc/95/27/88/1063952788.db2.gz FGNPRXVAUGYFHA-KRWDZBQOSA-N 1 3 305.466 2.137 20 0 DEADHO CCCCC[N@H+](C)C[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001567737908 1064390248 /nfs/dbraw/zinc/39/02/48/1064390248.db2.gz KMEHTQRZYUVRLA-DLBZAZTESA-N 1 3 309.498 2.299 20 0 DEADHO CCCCC[N@@H+](C)C[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001567737908 1064390257 /nfs/dbraw/zinc/39/02/57/1064390257.db2.gz KMEHTQRZYUVRLA-DLBZAZTESA-N 1 3 309.498 2.299 20 0 DEADHO CCN(C(=O)CC[NH+](C)C)[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001494909719 1064567253 /nfs/dbraw/zinc/56/72/53/1064567253.db2.gz ILOITRDGATZAFO-GOSISDBHSA-N 1 3 317.477 2.370 20 0 DEADHO CCC/C=C/CC[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001568146523 1064669567 /nfs/dbraw/zinc/66/95/67/1064669567.db2.gz IGJAXZUYIPLIRY-DWTRPJMMSA-N 1 3 304.438 2.279 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1CC[NH2+]C/C=C/Cl ZINC001568400416 1064838367 /nfs/dbraw/zinc/83/83/67/1064838367.db2.gz JONJIZUQHQAPNB-RZIFZGNASA-N 1 3 315.889 2.440 20 0 DEADHO CN(CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]C/C=C/Cl)C1CCC1 ZINC001568528863 1064940395 /nfs/dbraw/zinc/94/03/95/1064940395.db2.gz RQIDKBIPCCMSGT-OIWZPFHCSA-N 1 3 313.873 2.098 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+]CC1CCCCC1 ZINC001495794886 1065114780 /nfs/dbraw/zinc/11/47/80/1065114780.db2.gz DNQOJNCIKSFQPL-ZDUSSCGKSA-N 1 3 306.454 2.183 20 0 DEADHO CCN(CC[NH2+]CC1CCC1)C(=O)[C@H]1CCCCN1C(C)C ZINC001568782063 1065115027 /nfs/dbraw/zinc/11/50/27/1065115027.db2.gz ZMWLVEINCPWFEU-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2cncs2)CCCC1 ZINC001495958704 1065194870 /nfs/dbraw/zinc/19/48/70/1065194870.db2.gz KKIHRBRXIUNIHT-UHFFFAOYSA-N 1 3 324.494 2.004 20 0 DEADHO Cc1cccc(C[NH2+]CCCN(C)C(=O)CN(C)C2CCC2)c1 ZINC001569210128 1065367498 /nfs/dbraw/zinc/36/74/98/1065367498.db2.gz PACKZWJCKCVNKU-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO C[NH+](C)CCCCC(=O)NC[C@H]1CCN1CC1CC2(CCC2)C1 ZINC001569381574 1065476861 /nfs/dbraw/zinc/47/68/61/1065476861.db2.gz SWYFOWKXQCCWMZ-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001569823826 1065745148 /nfs/dbraw/zinc/74/51/48/1065745148.db2.gz KDLFAGWHTKAOBN-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C/C=C\Cl)C1 ZINC001496867803 1065763493 /nfs/dbraw/zinc/76/34/93/1065763493.db2.gz MBKUGWCXDUMLCG-FEGLDZKKSA-N 1 3 313.873 2.002 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C/C=C\Cl)C1 ZINC001496867803 1065763503 /nfs/dbraw/zinc/76/35/03/1065763503.db2.gz MBKUGWCXDUMLCG-FEGLDZKKSA-N 1 3 313.873 2.002 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H](CC[NH2+]CC3CCCC3)C2)CCC1 ZINC001569984202 1065860684 /nfs/dbraw/zinc/86/06/84/1065860684.db2.gz RFEFNSMBIVVCNW-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cccc(F)c1)N(C)C ZINC001497262623 1065996581 /nfs/dbraw/zinc/99/65/81/1065996581.db2.gz IXRNZZKECISNPL-WMLDXEAASA-N 1 3 323.456 2.396 20 0 DEADHO C[C@@H](c1nc(-c2cccnc2)no1)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC001576317109 1066558833 /nfs/dbraw/zinc/55/88/33/1066558833.db2.gz UZHDYRDOHCGCOD-MBNYWOFBSA-N 1 3 301.394 2.109 20 0 DEADHO CC1(C)CCN(C(=O)[C@H]2CNCc3ccccc32)CC(C)(C)[NH2+]1 ZINC001576439314 1066607102 /nfs/dbraw/zinc/60/71/02/1066607102.db2.gz AQPBNKIFVCJORY-INIZCTEOSA-N 1 3 315.461 2.253 20 0 DEADHO C[C@]1(c2ccccc2)CC[C@@H](NCc2cn(C3C[NH2+]C3)nn2)C1 ZINC001576559613 1066635715 /nfs/dbraw/zinc/63/57/15/1066635715.db2.gz CKYQAHGXGNYNLQ-QAPCUYQASA-N 1 3 311.433 2.022 20 0 DEADHO C[C@H]1C[C@H](C[N@@H+]2CCC[C@H](N)C2)CCN1C(=O)OC(C)(C)C ZINC001576600248 1066643129 /nfs/dbraw/zinc/64/31/29/1066643129.db2.gz ZUOQWRIENZUNPW-ZNMIVQPWSA-N 1 3 311.470 2.445 20 0 DEADHO C[C@H]1C[C@H](C[N@H+]2CCC[C@H](N)C2)CCN1C(=O)OC(C)(C)C ZINC001576600248 1066643133 /nfs/dbraw/zinc/64/31/33/1066643133.db2.gz ZUOQWRIENZUNPW-ZNMIVQPWSA-N 1 3 311.470 2.445 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CC2(CNC(=O)OC(C)(C)C)CCC2)CCN1 ZINC001576623697 1066647850 /nfs/dbraw/zinc/64/78/50/1066647850.db2.gz MEIQHHIVXBKJEH-UONOGXRCSA-N 1 3 311.470 2.412 20 0 DEADHO C[C@@H]1CN(C(=O)[C@@H](C[NH3+])c2ccccc2)CCN1C1CCCC1 ZINC001576760515 1066681821 /nfs/dbraw/zinc/68/18/21/1066681821.db2.gz RGYNGKSDJSZVEK-QAPCUYQASA-N 1 3 315.461 2.204 20 0 DEADHO CC[C@@H](C)C[C@H](N)C(=O)Nc1ccc(C[NH+](C)C)cc1OC ZINC001576980711 1066737303 /nfs/dbraw/zinc/73/73/03/1066737303.db2.gz GRDIWJDCSVZHSD-OCCSQVGLSA-N 1 3 307.438 2.459 20 0 DEADHO CC[C@H]1CN(C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC[C@@H]1[NH3+] ZINC001577279591 1066806615 /nfs/dbraw/zinc/80/66/15/1066806615.db2.gz LEQNVEYHEVVOBH-XQLPTFJDSA-N 1 3 311.470 2.349 20 0 DEADHO CC[C@H]1C[N@H+](C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC[C@@H]1N ZINC001577279591 1066806621 /nfs/dbraw/zinc/80/66/21/1066806621.db2.gz LEQNVEYHEVVOBH-XQLPTFJDSA-N 1 3 311.470 2.349 20 0 DEADHO CC[C@H]1C[N@@H+](C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC[C@@H]1N ZINC001577279591 1066806625 /nfs/dbraw/zinc/80/66/25/1066806625.db2.gz LEQNVEYHEVVOBH-XQLPTFJDSA-N 1 3 311.470 2.349 20 0 DEADHO CCCN(C(=O)[C@H](C)[C@H]([NH3+])c1ccccc1)[C@@H]1CCN(C)C1 ZINC001577485898 1066855171 /nfs/dbraw/zinc/85/51/71/1066855171.db2.gz ZIQNYTUUPRKGHI-OIISXLGYSA-N 1 3 303.450 2.265 20 0 DEADHO CCN(C(=O)[C@@H]1CC[NH2+][C@H]1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001577628560 1066889752 /nfs/dbraw/zinc/88/97/52/1066889752.db2.gz UDTOAHIVWXZVIV-RYQLBKOJSA-N 1 3 315.461 2.107 20 0 DEADHO CN(C)c1nc(Cl)c(CNCCC[C@@H]2CCC[NH2+]2)s1 ZINC001578430434 1067100540 /nfs/dbraw/zinc/10/05/40/1067100540.db2.gz UFJOWGWKCGDSPF-SNVBAGLBSA-N 1 3 302.875 2.484 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN(C2CC2)C2(CO)CCC2)cc1 ZINC001579195145 1067254992 /nfs/dbraw/zinc/25/49/92/1067254992.db2.gz SJVVBRLVVWIGKC-OAHLLOKOSA-N 1 3 304.434 2.117 20 0 DEADHO COc1ccc([C@H](CN)C[N@H+](C2CC2)C2(CO)CCC2)cc1 ZINC001579195145 1067255000 /nfs/dbraw/zinc/25/50/00/1067255000.db2.gz SJVVBRLVVWIGKC-OAHLLOKOSA-N 1 3 304.434 2.117 20 0 DEADHO COc1ccc([C@H](CN)C[N@@H+](C2CC2)C2(CO)CCC2)cc1 ZINC001579195145 1067255009 /nfs/dbraw/zinc/25/50/09/1067255009.db2.gz SJVVBRLVVWIGKC-OAHLLOKOSA-N 1 3 304.434 2.117 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@H](C(C)(C)O)C2)cc1 ZINC001579195318 1067255454 /nfs/dbraw/zinc/25/54/54/1067255454.db2.gz VORJOBYOMXDNRY-CVEARBPZSA-N 1 3 306.450 2.220 20 0 DEADHO COc1cccc(CN2CCN(CCC3CC[NH2+]CC3)CC2)c1 ZINC001579277266 1067286531 /nfs/dbraw/zinc/28/65/31/1067286531.db2.gz BCUXLQQNBOCYHO-UHFFFAOYSA-N 1 3 317.477 2.203 20 0 DEADHO COc1ccccc1NC(=O)[C@H]1CCCN(CC2(C[NH3+])CC2)C1 ZINC001579310633 1067300161 /nfs/dbraw/zinc/30/01/61/1067300161.db2.gz VEFDVPWBLFGGDG-AWEZNQCLSA-N 1 3 317.433 2.085 20 0 DEADHO Cc1ccc(F)cc1NC(=O)CCN[C@@H]1CC[NH2+]CC1(C)C ZINC001579708398 1067408016 /nfs/dbraw/zinc/40/80/16/1067408016.db2.gz QJIPGDRSTZXUER-OAHLLOKOSA-N 1 3 307.413 2.440 20 0 DEADHO NC(=O)Nc1ccc(CNCc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC001580098694 1067494402 /nfs/dbraw/zinc/49/44/02/1067494402.db2.gz QETDWUDPTVASOP-UHFFFAOYSA-N 1 3 310.401 2.113 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]CCc2cccs2)C1)N(C)C ZINC001267067592 1078542651 /nfs/dbraw/zinc/54/26/51/1078542651.db2.gz RLOJNWLZZDFPHY-GDBMZVCRSA-N 1 3 323.506 2.069 20 0 DEADHO CC1CCC(C[NH2+]CCCN(C)C(=O)[C@H]2CCCN2C)CC1 ZINC001483456369 1078545479 /nfs/dbraw/zinc/54/54/79/1078545479.db2.gz UUSRBOWXPQWODJ-OFLPRAFFSA-N 1 3 309.498 2.345 20 0 DEADHO CN(CC[NH2+]CCc1ccccc1Cl)C(=O)CN1CCCC1 ZINC001267081233 1078555051 /nfs/dbraw/zinc/55/50/51/1078555051.db2.gz GOOBKAVFANVLFD-UHFFFAOYSA-N 1 3 323.868 2.026 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCC2CCCC2)C1)N(C)C ZINC001571181902 1068189455 /nfs/dbraw/zinc/18/94/55/1068189455.db2.gz UFOREJAOOFFALQ-BRWVUGGUSA-N 1 3 309.498 2.391 20 0 DEADHO CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H]1C ZINC001571463399 1068313949 /nfs/dbraw/zinc/31/39/49/1068313949.db2.gz VCKYRURRYSRIEC-KRHNWMDASA-N 1 3 304.438 2.278 20 0 DEADHO O[C@@H](C[NH2+]CCCN1CCCC1)COc1ccc(Cl)cc1 ZINC000058443523 1078792998 /nfs/dbraw/zinc/79/29/98/1078792998.db2.gz OZQZDIVPXLEFFB-HNNXBMFYSA-N 1 3 312.841 2.155 20 0 DEADHO C[C@]1(NC(=O)c2cccc(CN3CCCCC3)c2)CC[NH2+]C1 ZINC001573622343 1069052457 /nfs/dbraw/zinc/05/24/57/1069052457.db2.gz NDDCSIPLFGNQAY-SFHVURJKSA-N 1 3 301.434 2.154 20 0 DEADHO CC[C@@H]1CN[C@@H](CC)CN1C(=O)C1C[NH+](C2CCCCC2)C1 ZINC001573721512 1069081875 /nfs/dbraw/zinc/08/18/75/1069081875.db2.gz ZGPSQCLFVIQLMC-JKSUJKDBSA-N 1 3 307.482 2.240 20 0 DEADHO CC[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)[C@H](CC)CN1 ZINC001573721627 1069082027 /nfs/dbraw/zinc/08/20/27/1069082027.db2.gz ZMHNYPPNFOHZGU-VQHPVUNQSA-N 1 3 322.497 2.175 20 0 DEADHO CC[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)[C@H](CC)CN1 ZINC001573721627 1069082030 /nfs/dbraw/zinc/08/20/30/1069082030.db2.gz ZMHNYPPNFOHZGU-VQHPVUNQSA-N 1 3 322.497 2.175 20 0 DEADHO CC[C@H]1CN(C(=O)C2C[NH+](C3CCCCC3)C2)[C@@H](CC)CN1 ZINC001573721509 1069082244 /nfs/dbraw/zinc/08/22/44/1069082244.db2.gz ZGPSQCLFVIQLMC-HOTGVXAUSA-N 1 3 307.482 2.240 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC001645516648 1078906379 /nfs/dbraw/zinc/90/63/79/1078906379.db2.gz GFQNESSFKLBPNX-CVEARBPZSA-N 1 3 307.482 2.099 20 0 DEADHO CN(C)CCN1CCC2(CC[NH+](CC3CCCC3)CC2)C1=O ZINC001272499189 1078928433 /nfs/dbraw/zinc/92/84/33/1078928433.db2.gz IHHZEAFITZPXIB-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO CCCC[N@H+]1CC=C(CNC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001279687076 1078947597 /nfs/dbraw/zinc/94/75/97/1078947597.db2.gz DRKFBIIWXIZFID-HZPDHXFCSA-N 1 3 307.482 2.408 20 0 DEADHO CCCC[N@@H+]1CC=C(CNC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001279687076 1078947605 /nfs/dbraw/zinc/94/76/05/1078947605.db2.gz DRKFBIIWXIZFID-HZPDHXFCSA-N 1 3 307.482 2.408 20 0 DEADHO CC[C@@H]1CN(C)CCCN1C(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001548698970 1072815220 /nfs/dbraw/zinc/81/52/20/1072815220.db2.gz ZAZBOECFESKZPP-QBPKDAKJSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@@H]1CN(C)CCCN1C(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@H+]2C1 ZINC001548698970 1072815224 /nfs/dbraw/zinc/81/52/24/1072815224.db2.gz ZAZBOECFESKZPP-QBPKDAKJSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](C)C[C@@H]1c1ccccc1)N(C)C ZINC001549075397 1073006346 /nfs/dbraw/zinc/00/63/46/1073006346.db2.gz VMUHAYOLUZNOHO-KZNAEPCWSA-N 1 3 317.477 2.034 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)N(C)C ZINC001549075397 1073006352 /nfs/dbraw/zinc/00/63/52/1073006352.db2.gz VMUHAYOLUZNOHO-KZNAEPCWSA-N 1 3 317.477 2.034 20 0 DEADHO N[C@H](CC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccccc1)c1ccccc1 ZINC001549208456 1073079054 /nfs/dbraw/zinc/07/90/54/1073079054.db2.gz KNCSMCMFATWXTN-OTWHNJEPSA-N 1 3 323.440 2.338 20 0 DEADHO CCN1CCC[C@H](NC(=O)Nc2ccc([C@H]3C[C@@H]3[NH3+])cc2)C1 ZINC001549793860 1073269051 /nfs/dbraw/zinc/26/90/51/1073269051.db2.gz YCFUOSCORKUOSH-XHSDSOJGSA-N 1 3 302.422 2.107 20 0 DEADHO CCn1ccnc1[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC001550129760 1073445795 /nfs/dbraw/zinc/44/57/95/1073445795.db2.gz WPXGSCDLQRSJTE-YLFCFFPRSA-N 1 3 318.465 2.007 20 0 DEADHO CCn1ccnc1[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC001550129760 1073445800 /nfs/dbraw/zinc/44/58/00/1073445800.db2.gz WPXGSCDLQRSJTE-YLFCFFPRSA-N 1 3 318.465 2.007 20 0 DEADHO C[N@@H+]1CC[C@@H]2CN([C@@H]3CCCN(c4ccccc4)C3=O)C[C@H]2C1 ZINC001550541220 1073711894 /nfs/dbraw/zinc/71/18/94/1073711894.db2.gz SIPOCOVMPAKHOC-JFIYKMOQSA-N 1 3 313.445 2.066 20 0 DEADHO C[N@H+]1CC[C@@H]2CN([C@@H]3CCCN(c4ccccc4)C3=O)C[C@H]2C1 ZINC001550541220 1073711900 /nfs/dbraw/zinc/71/19/00/1073711900.db2.gz SIPOCOVMPAKHOC-JFIYKMOQSA-N 1 3 313.445 2.066 20 0 DEADHO O=C1CC[C@H](NCc2ccccc2Cl)[C@H](C2CC[NH2+]CC2)N1 ZINC001550913921 1073951931 /nfs/dbraw/zinc/95/19/31/1073951931.db2.gz RFWYMYADKKPULJ-RDJZCZTQSA-N 1 3 321.852 2.076 20 0 DEADHO CC1(O)CCC([NH2+]C2CCC(C)(N3CCOCC3)CC2)CC1 ZINC001551238338 1074127508 /nfs/dbraw/zinc/12/75/08/1074127508.db2.gz HOZMFPSMDDKMNT-UHFFFAOYSA-N 1 3 310.482 2.303 20 0 DEADHO CC(C)C[NH2+][C@H](C)CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001369276021 1148888962 /nfs/dbraw/zinc/88/89/62/1148888962.db2.gz MCMVYAMOOMVYDC-RHSMWYFYSA-N 1 3 315.477 2.291 20 0 DEADHO CN(C)Cc1ccccc1CNC(=O)[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC001552150359 1074476523 /nfs/dbraw/zinc/47/65/23/1074476523.db2.gz ABEHFMLLOMMAEL-ROUUACIJSA-N 1 3 315.461 2.000 20 0 DEADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCCC[NH2+]C1 ZINC001552416279 1074571222 /nfs/dbraw/zinc/57/12/22/1074571222.db2.gz MIOYTOSFUTXUBB-ROUUACIJSA-N 1 3 315.461 2.157 20 0 DEADHO CC[C@H](C)C[C@@H](N)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC001646737664 1074588505 /nfs/dbraw/zinc/58/85/05/1074588505.db2.gz RPZCQKZFBXDLSE-WMLDXEAASA-N 1 3 321.465 2.007 20 0 DEADHO [NH3+][C@H]1C[C@@](C(=O)Nc2cccc3c2CNC3)(c2ccccc2)C1 ZINC001646785609 1074617285 /nfs/dbraw/zinc/61/72/85/1074617285.db2.gz WRMXCTKDHIGLAN-RHDGDCLCSA-N 1 3 307.397 2.287 20 0 DEADHO C[NH+](C)CCC(=O)N1CC[C@](C)(CNC/C(Cl)=C/Cl)C1 ZINC001484111025 1079309271 /nfs/dbraw/zinc/30/92/71/1079309271.db2.gz URJXXOZBZYPFLS-ICDLMJIXSA-N 1 3 322.280 2.085 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1(C)CC[NH+](CC2CCC2)CC1 ZINC001484145758 1079323622 /nfs/dbraw/zinc/32/36/22/1079323622.db2.gz FNDJOKGUBWHNRY-UHFFFAOYSA-N 1 3 318.465 2.279 20 0 DEADHO CSc1ccc(OC[C@@H](O)CNC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC001647565024 1074947599 /nfs/dbraw/zinc/94/75/99/1074947599.db2.gz WQUOPHUDUSPOTM-GJZGRUSLSA-N 1 3 324.490 2.080 20 0 DEADHO CSc1ccc(OC[C@@H](O)CNC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001647565024 1074947601 /nfs/dbraw/zinc/94/76/01/1074947601.db2.gz WQUOPHUDUSPOTM-GJZGRUSLSA-N 1 3 324.490 2.080 20 0 DEADHO CN(C(=O)NCCC(C)(C)[NH3+])[C@H]1CCN(Cc2ccccc2)C1 ZINC001650006046 1079353753 /nfs/dbraw/zinc/35/37/53/1079353753.db2.gz QMVOGXUTLWGQRY-INIZCTEOSA-N 1 3 318.465 2.030 20 0 DEADHO CCN1CCN(CCC[NH2+]Cc2cnc(Cl)c(C)c2)CC1 ZINC001560264703 1075135460 /nfs/dbraw/zinc/13/54/60/1075135460.db2.gz LGVGFRIGHNIWFN-UHFFFAOYSA-N 1 3 310.873 2.161 20 0 DEADHO CC[C@@H](C(=O)NCCC[N@H+](C)Cc1ccc(F)cc1C)N(C)C ZINC001566508861 1075265491 /nfs/dbraw/zinc/26/54/91/1075265491.db2.gz SLUKYZDUXJHFLJ-KRWDZBQOSA-N 1 3 323.456 2.412 20 0 DEADHO CC[C@@H](C(=O)NCCC[N@@H+](C)Cc1ccc(F)cc1C)N(C)C ZINC001566508861 1075265494 /nfs/dbraw/zinc/26/54/94/1075265494.db2.gz SLUKYZDUXJHFLJ-KRWDZBQOSA-N 1 3 323.456 2.412 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)c1ccccc1)N(C)C ZINC001481243518 1079457844 /nfs/dbraw/zinc/45/78/44/1079457844.db2.gz UZSCDILDAGULKN-RDJZCZTQSA-N 1 3 305.466 2.382 20 0 DEADHO [NH3+]Cc1cccc(CN[C@@H]2CC(=O)N(C3CCCCC3)C2)c1 ZINC001580342717 1075906811 /nfs/dbraw/zinc/90/68/11/1075906811.db2.gz DWBNNWWUFRJJGU-MRXNPFEDSA-N 1 3 301.434 2.169 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@@H+](CC3=CCCCC3)C[C@@H]2C1 ZINC001484414833 1079600330 /nfs/dbraw/zinc/60/03/30/1079600330.db2.gz DGYWDOLAUFYOKP-HDICACEKSA-N 1 3 319.493 2.217 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@H+](CC3=CCCCC3)C[C@@H]2C1 ZINC001484414833 1079600335 /nfs/dbraw/zinc/60/03/35/1079600335.db2.gz DGYWDOLAUFYOKP-HDICACEKSA-N 1 3 319.493 2.217 20 0 DEADHO CN(CC(C)(C)C[NH+](C)C)C(=O)c1cc2c(s1)CNCC2 ZINC001650421875 1079610538 /nfs/dbraw/zinc/61/05/38/1079610538.db2.gz DUWUZDSPWFYNBL-UHFFFAOYSA-N 1 3 309.479 2.054 20 0 DEADHO CC[NH+](CC)CC[C@H](C)NC(=O)c1cc2c(s1)CNCC2 ZINC001650433697 1079619899 /nfs/dbraw/zinc/61/98/99/1079619899.db2.gz YDPPBQVRTIFRCD-LBPRGKRZSA-N 1 3 309.479 2.244 20 0 DEADHO N[C@H](CC(=O)N1CCC2(CCC[C@H]2C[NH3+])CC1)c1ccccc1 ZINC001650437610 1079623297 /nfs/dbraw/zinc/62/32/97/1079623297.db2.gz HXTKJNYLTKOXRX-DLBZAZTESA-N 1 3 315.461 2.444 20 0 DEADHO CCCCC[NH+]1CCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001484578964 1079668196 /nfs/dbraw/zinc/66/81/96/1079668196.db2.gz QGFQRWPVZYGZMY-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@H](C(=O)NCC1([NH2+]CC2CC2)CCC1)N1CCCCCC1 ZINC001484652594 1079709594 /nfs/dbraw/zinc/70/95/94/1079709594.db2.gz GZCDNSVYPVALLU-OAHLLOKOSA-N 1 3 307.482 2.289 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+]CC1CC(C)(C)C1 ZINC001481319849 1079716440 /nfs/dbraw/zinc/71/64/40/1079716440.db2.gz PPXNBBWVJQIXIQ-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CCCCC[NH2+][C@H](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001481339710 1079734367 /nfs/dbraw/zinc/73/43/67/1079734367.db2.gz KUMCFOQXSUJEPQ-CQSZACIVSA-N 1 3 306.454 2.359 20 0 DEADHO CCCC[NH2+][C@@H](C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001481342235 1079736377 /nfs/dbraw/zinc/73/63/77/1079736377.db2.gz NGYGJBZTNUZCRK-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CC=C(C)C)C1 ZINC001485110612 1079987024 /nfs/dbraw/zinc/98/70/24/1079987024.db2.gz PBABEUWOTBBMCX-OFLPRAFFSA-N 1 3 307.482 2.311 20 0 DEADHO CC/C=C/CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)C[C@@H]2C1 ZINC001656843547 1080128841 /nfs/dbraw/zinc/12/88/41/1080128841.db2.gz XIRWEJWUBNQWGD-IBQUMJASSA-N 1 3 321.509 2.465 20 0 DEADHO CC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)C[C@@H]2C1 ZINC001656843547 1080128844 /nfs/dbraw/zinc/12/88/44/1080128844.db2.gz XIRWEJWUBNQWGD-IBQUMJASSA-N 1 3 321.509 2.465 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC000073033948 1080170025 /nfs/dbraw/zinc/17/00/25/1080170025.db2.gz BDAOONGLOLQPNU-WBVHZDCISA-N 1 3 303.450 2.280 20 0 DEADHO CCc1ccccc1CN1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001481641025 1080197091 /nfs/dbraw/zinc/19/70/91/1080197091.db2.gz IVVIUKFJMSXYPO-UHFFFAOYSA-N 1 3 317.477 2.139 20 0 DEADHO C[NH+](C)CC1(C(=O)N[C@H]2CCCN(CCCCCF)C2)CC1 ZINC001268215221 1080200146 /nfs/dbraw/zinc/20/01/46/1080200146.db2.gz DAVPXPPKQARTRT-HNNXBMFYSA-N 1 3 313.461 2.049 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](C)CC[C@H](C)F ZINC001660408421 1080327008 /nfs/dbraw/zinc/32/70/08/1080327008.db2.gz GVIJLTCENFSCTR-GJZGRUSLSA-N 1 3 301.450 2.047 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](C)CC[C@H](C)F ZINC001660408421 1080327014 /nfs/dbraw/zinc/32/70/14/1080327014.db2.gz GVIJLTCENFSCTR-GJZGRUSLSA-N 1 3 301.450 2.047 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCCCN(CC)C/C=C\Cl)CC[N@@H+]1C ZINC001660528719 1080351336 /nfs/dbraw/zinc/35/13/36/1080351336.db2.gz DHSQPKYSZCESIV-XDHNQJSPSA-N 1 3 315.889 2.297 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCCCN(CC)C/C=C\Cl)CC[N@H+]1C ZINC001660528719 1080351344 /nfs/dbraw/zinc/35/13/44/1080351344.db2.gz DHSQPKYSZCESIV-XDHNQJSPSA-N 1 3 315.889 2.297 20 0 DEADHO CCC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001661609927 1080499446 /nfs/dbraw/zinc/49/94/46/1080499446.db2.gz CVVAUNIUKCHFHR-HCWFLXIUSA-N 1 3 307.482 2.454 20 0 DEADHO CC[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CCCF ZINC001481812751 1080521472 /nfs/dbraw/zinc/52/14/72/1080521472.db2.gz SRMXGUPFDRJORA-CQSZACIVSA-N 1 3 301.450 2.095 20 0 DEADHO CC(C)CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001662713256 1080639880 /nfs/dbraw/zinc/63/98/80/1080639880.db2.gz YRPDLISUVQNPLS-IRXDYDNUSA-N 1 3 311.514 2.447 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/CNCc1ccsc1 ZINC001268547454 1080743723 /nfs/dbraw/zinc/74/37/23/1080743723.db2.gz HCKQMUIVCSRFMN-CWDCEQMOSA-N 1 3 321.490 2.385 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)NC/C=C/CNCc1ccsc1 ZINC001268547454 1080743732 /nfs/dbraw/zinc/74/37/32/1080743732.db2.gz HCKQMUIVCSRFMN-CWDCEQMOSA-N 1 3 321.490 2.385 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001482113302 1080814717 /nfs/dbraw/zinc/81/47/17/1080814717.db2.gz LFTXEIHYAMEXHM-DOTOQJQBSA-N 1 3 305.466 2.177 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CCC1CC1 ZINC001268596622 1080852962 /nfs/dbraw/zinc/85/29/62/1080852962.db2.gz OAUDCZJYSXCOCH-BDUNBXCCSA-N 1 3 307.482 2.311 20 0 DEADHO CC[C@@H](F)C[NH2+]CC[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001666174094 1081130766 /nfs/dbraw/zinc/13/07/66/1081130766.db2.gz XVKGDNIBBYABCR-JKSUJKDBSA-N 1 3 315.477 2.293 20 0 DEADHO C[C@@H](C[NH2+]C/C=C\Cl)N(C)C(=O)CN(C)CC(C)(C)C ZINC001666993186 1081200937 /nfs/dbraw/zinc/20/09/37/1081200937.db2.gz ZMUNVTGUSSZNBS-WSROAFLRSA-N 1 3 303.878 2.153 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(CC3CCCC3)CC2)C1 ZINC000949801649 1081204108 /nfs/dbraw/zinc/20/41/08/1081204108.db2.gz WKEBTSYOPXKVTG-SFHVURJKSA-N 1 3 321.509 2.443 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCN(CC3CCCC3)CC2)C1 ZINC000949801649 1081204109 /nfs/dbraw/zinc/20/41/09/1081204109.db2.gz WKEBTSYOPXKVTG-SFHVURJKSA-N 1 3 321.509 2.443 20 0 DEADHO CC(C)=CC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001667175452 1081220461 /nfs/dbraw/zinc/22/04/61/1081220461.db2.gz HTTOJWPFKNIRTG-RDJZCZTQSA-N 1 3 307.482 2.264 20 0 DEADHO CC1CCN(CC(=O)N2CCCC[C@@H]2CC[NH2+]CC2CC2)CC1 ZINC001667296732 1081234205 /nfs/dbraw/zinc/23/42/05/1081234205.db2.gz SEORFHRCDDOSHG-GOSISDBHSA-N 1 3 321.509 2.489 20 0 DEADHO CCCC[NH2+]CC[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001269742073 1081352143 /nfs/dbraw/zinc/35/21/43/1081352143.db2.gz RLXXEUBGOMBNGQ-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H](CC[NH2+]CCCF)C1)N(C)C ZINC001269766094 1081360834 /nfs/dbraw/zinc/36/08/34/1081360834.db2.gz QOSJFWRNWXPMDA-JKSUJKDBSA-N 1 3 315.477 2.151 20 0 DEADHO C[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CCCN1C)c1ccc(F)cc1 ZINC001668745922 1081390297 /nfs/dbraw/zinc/39/02/97/1081390297.db2.gz OMSCXIBLHBCHOJ-GPAZVNKHSA-N 1 3 319.424 2.243 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CNCc1ccsc1 ZINC001668820235 1081400822 /nfs/dbraw/zinc/40/08/22/1081400822.db2.gz DOSUWWSDWQTWKM-QDLOVBKTSA-N 1 3 321.490 2.383 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CNCc1ccsc1 ZINC001668820235 1081400823 /nfs/dbraw/zinc/40/08/23/1081400823.db2.gz DOSUWWSDWQTWKM-QDLOVBKTSA-N 1 3 321.490 2.383 20 0 DEADHO CCN(C(=O)c1ccn2c[nH+]cc2c1)C1CN(CCC2CC2)C1 ZINC000950773669 1081412434 /nfs/dbraw/zinc/41/24/34/1081412434.db2.gz QGCWVYDLHRTRSK-UHFFFAOYSA-N 1 3 312.417 2.281 20 0 DEADHO Cc1cccc(C[NH2+]C/C=C\CNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001669039030 1081421959 /nfs/dbraw/zinc/42/19/59/1081421959.db2.gz IUESLPVUUSCESS-CWIOURORSA-N 1 3 315.461 2.099 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/CNC/C=C/Cl ZINC001669074735 1081425492 /nfs/dbraw/zinc/42/54/92/1081425492.db2.gz CQYOGALGRXZCSQ-FFJLFQFZSA-N 1 3 313.873 2.264 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/CNC/C=C/Cl ZINC001669074735 1081425497 /nfs/dbraw/zinc/42/54/97/1081425497.db2.gz CQYOGALGRXZCSQ-FFJLFQFZSA-N 1 3 313.873 2.264 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CCC2CCCC2)C1 ZINC001270136682 1081458438 /nfs/dbraw/zinc/45/84/38/1081458438.db2.gz PAUSLXLGISFXDT-SJLPKXTDSA-N 1 3 321.509 2.489 20 0 DEADHO CC[NH+](CC)CCCN1CCN([C@H](C)CCSC)CC1 ZINC001258221946 1081462976 /nfs/dbraw/zinc/46/29/76/1081462976.db2.gz JNUKSQCNGPGWGQ-MRXNPFEDSA-N 1 3 301.544 2.478 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCC(C)C ZINC001270193837 1081471182 /nfs/dbraw/zinc/47/11/82/1081471182.db2.gz NFPYTHTYPNBJQT-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1cccc(C[NH2+]CCCN(C)C(=O)CN2CC[C@@H](C)C2)c1 ZINC001670245976 1081505063 /nfs/dbraw/zinc/50/50/63/1081505063.db2.gz LGZVSGBNKXEYBV-QGZVFWFLSA-N 1 3 317.477 2.275 20 0 DEADHO Cc1cccc(C[NH2+]CCCN(C)C(=O)CN(C)C(C)C)c1 ZINC001670357852 1081512305 /nfs/dbraw/zinc/51/23/05/1081512305.db2.gz UNEMEHKTFYJARF-UHFFFAOYSA-N 1 3 305.466 2.273 20 0 DEADHO CC1CC(C[NH2+]CC[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001672805827 1081629261 /nfs/dbraw/zinc/62/92/61/1081629261.db2.gz PXURADWUXBBZEE-AQFXKWCLSA-N 1 3 321.509 2.345 20 0 DEADHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCN1C1CCCCC1 ZINC001270915762 1081837404 /nfs/dbraw/zinc/83/74/04/1081837404.db2.gz GTJFNCJTJBRALQ-CVGRLMLNSA-N 1 3 305.466 2.135 20 0 DEADHO CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001271222646 1081993983 /nfs/dbraw/zinc/99/39/83/1081993983.db2.gz CIDIDKYKYLSIMY-TVFCKZIOSA-N 1 3 321.509 2.440 20 0 DEADHO CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001271222646 1081993987 /nfs/dbraw/zinc/99/39/87/1081993987.db2.gz CIDIDKYKYLSIMY-TVFCKZIOSA-N 1 3 321.509 2.440 20 0 DEADHO CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001271222647 1081994028 /nfs/dbraw/zinc/99/40/28/1081994028.db2.gz CIDIDKYKYLSIMY-XDNAFOTISA-N 1 3 321.509 2.440 20 0 DEADHO CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001271222647 1081994030 /nfs/dbraw/zinc/99/40/30/1081994030.db2.gz CIDIDKYKYLSIMY-XDNAFOTISA-N 1 3 321.509 2.440 20 0 DEADHO CC[NH+](CC)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1 ZINC001271510723 1082067220 /nfs/dbraw/zinc/06/72/20/1082067220.db2.gz IZAIDOWMBALIHZ-FGTMMUONSA-N 1 3 315.461 2.375 20 0 DEADHO CC/C=C/CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001271562369 1082082005 /nfs/dbraw/zinc/08/20/05/1082082005.db2.gz SMQYTLFSWBRZTG-FDRQBBGKSA-N 1 3 307.482 2.265 20 0 DEADHO CCC[NH2+]CC[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001271590631 1082087344 /nfs/dbraw/zinc/08/73/44/1082087344.db2.gz CKFFTHIEXWEAOT-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CCCCCC[N@@H+]1CC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001266533884 1082127268 /nfs/dbraw/zinc/12/72/68/1082127268.db2.gz RYJQYEGXBZQTEE-IAGOWNOFSA-N 1 3 309.498 2.347 20 0 DEADHO CCCCCC[N@H+]1CC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001266533884 1082127271 /nfs/dbraw/zinc/12/72/71/1082127271.db2.gz RYJQYEGXBZQTEE-IAGOWNOFSA-N 1 3 309.498 2.347 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCCc2ccccc2)C1 ZINC001266567377 1082164049 /nfs/dbraw/zinc/16/40/49/1082164049.db2.gz AXESLHPETYVAHW-SFHVURJKSA-N 1 3 317.477 2.150 20 0 DEADHO CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CCCF ZINC001670582566 1082188497 /nfs/dbraw/zinc/18/84/97/1082188497.db2.gz UUHVOXHNPXZGGE-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO CN(C)C1(C(=O)N(C)CC[NH2+]Cc2ccc(CF)cc2)CCC1 ZINC001266724242 1082305903 /nfs/dbraw/zinc/30/59/03/1082305903.db2.gz JAKQNNGHZJEZAT-UHFFFAOYSA-N 1 3 321.440 2.188 20 0 DEADHO Cc1ccc(F)cc1CNCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001266817560 1082366688 /nfs/dbraw/zinc/36/66/88/1082366688.db2.gz LSWRPNYFICMDHX-UHFFFAOYSA-N 1 3 321.440 2.024 20 0 DEADHO CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001266826152 1082373481 /nfs/dbraw/zinc/37/34/81/1082373481.db2.gz OBSYBDDHTUAZLV-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)[NH2+]CC[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001482875566 1082540835 /nfs/dbraw/zinc/54/08/35/1082540835.db2.gz VNXAFGTWGOFOGA-BBRMVZONSA-N 1 3 301.450 2.092 20 0 DEADHO CC(C)[NH2+]CC[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001482875567 1082540850 /nfs/dbraw/zinc/54/08/50/1082540850.db2.gz VNXAFGTWGOFOGA-CJNGLKHVSA-N 1 3 301.450 2.092 20 0 DEADHO CCN(CCNCc1ccsc1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482925731 1082564364 /nfs/dbraw/zinc/56/43/64/1082564364.db2.gz XKEUTLDPEGKHLS-INIZCTEOSA-N 1 3 321.490 2.028 20 0 DEADHO CCN(CC[NH2+]Cc1csc(C)c1)C(=O)CN1CCCC1 ZINC001482966634 1082584342 /nfs/dbraw/zinc/58/43/42/1082584342.db2.gz DMWRWSQJZPQVLF-UHFFFAOYSA-N 1 3 309.479 2.090 20 0 DEADHO CCN(CC[NH2+]CCC(F)(F)F)C(=O)[C@H]1CCCCN1CC ZINC001482970264 1082586384 /nfs/dbraw/zinc/58/63/84/1082586384.db2.gz QTHZNMJTJKZAAO-CYBMUJFWSA-N 1 3 323.403 2.251 20 0 DEADHO CC[C@H](C(=O)NC/C=C\C[NH2+][C@@H]1CCc2ccccc21)N(C)C ZINC001483024643 1082627662 /nfs/dbraw/zinc/62/76/62/1082627662.db2.gz WLWJTTQBRCACME-BTFXCVNISA-N 1 3 315.461 2.276 20 0 DEADHO C[C@H](C[NH2+]C/C=C\Cl)NC(=O)C(C)(C)N1CCCCC1 ZINC001483129251 1082748209 /nfs/dbraw/zinc/74/82/09/1082748209.db2.gz SWEJEOVGFVKTKI-MEJMFZKBSA-N 1 3 301.862 2.098 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]CC[C@@H]1CCCC1(F)F)N(C)C ZINC001483140599 1082771716 /nfs/dbraw/zinc/77/17/16/1082771716.db2.gz OHKCIGXZTPTNAO-HZSPNIEDSA-N 1 3 319.440 2.246 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c(C)c1 ZINC001483163745 1082785041 /nfs/dbraw/zinc/78/50/41/1082785041.db2.gz JSCXYQOJYTUGBA-SJLPKXTDSA-N 1 3 319.493 2.484 20 0 DEADHO COc1nccc(CNC2CCN(c3cc[nH+]cc3)CC2)c1F ZINC001413179774 1083413632 /nfs/dbraw/zinc/41/36/32/1083413632.db2.gz VLYVHKSRMQUIHD-UHFFFAOYSA-N 1 3 316.380 2.383 20 0 DEADHO CS[C@H](C)CC[NH+]1CCC2(CN(CCn3ccnc3)C2)CC1 ZINC001276469261 1083456155 /nfs/dbraw/zinc/45/61/55/1083456155.db2.gz AZPHRXPEVOMVLK-MRXNPFEDSA-N 1 3 322.522 2.423 20 0 DEADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC1)CC2 ZINC001107583109 1083491987 /nfs/dbraw/zinc/49/19/87/1083491987.db2.gz QCFYIZUTTWFIJS-SJLPKXTDSA-N 1 3 307.482 2.099 20 0 DEADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC1)CC2 ZINC001107583109 1083492004 /nfs/dbraw/zinc/49/20/04/1083492004.db2.gz QCFYIZUTTWFIJS-SJLPKXTDSA-N 1 3 307.482 2.099 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C[NH2+]CCC1CCCC1)C1CC1 ZINC001276694961 1083551098 /nfs/dbraw/zinc/55/10/98/1083551098.db2.gz NHQBWRZHURYMCN-KRWDZBQOSA-N 1 3 318.465 2.325 20 0 DEADHO Cc1cccc(N2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)n1 ZINC001276980616 1083714898 /nfs/dbraw/zinc/71/48/98/1083714898.db2.gz CWJDKQAMCFEAJZ-CALCHBBNSA-N 1 3 302.466 2.100 20 0 DEADHO CN1CCC[C@H](N[C@H](C[NH3+])c2ccc(Br)cc2)C1 ZINC001255471753 1083797145 /nfs/dbraw/zinc/79/71/45/1083797145.db2.gz GFPDPESAJISNGI-UONOGXRCSA-N 1 3 312.255 2.133 20 0 DEADHO CC[C@H](F)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(CC)CC ZINC001229231713 1083929177 /nfs/dbraw/zinc/92/91/77/1083929177.db2.gz TZXZLOKCJOQRRE-RRFJBIMHSA-N 1 3 301.450 2.093 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+]CCC(F)(F)F)C1 ZINC001491186895 1084134170 /nfs/dbraw/zinc/13/41/70/1084134170.db2.gz PCAWZUBHIHQVCT-ZDUSSCGKSA-N 1 3 323.403 2.109 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CCF)C1CC1 ZINC001485829864 1084139047 /nfs/dbraw/zinc/13/90/47/1084139047.db2.gz UHQHDTIHWMTVKR-HOTGVXAUSA-N 1 3 313.461 2.045 20 0 DEADHO Cc1ccc(F)cc1C[NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001491478557 1084339350 /nfs/dbraw/zinc/33/93/50/1084339350.db2.gz QTNLXYUFMCMVIE-AWEZNQCLSA-N 1 3 321.440 2.213 20 0 DEADHO CN(C)[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CCCC1CCC1)C1CC1 ZINC001235352837 1084403514 /nfs/dbraw/zinc/40/35/14/1084403514.db2.gz CHFIEBFHDVIQEA-MSOLQXFVSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)[C@H](C(=O)N(C)C[C@H]1CC[N@H+]1CCCC1CCC1)C1CC1 ZINC001235352837 1084403518 /nfs/dbraw/zinc/40/35/18/1084403518.db2.gz CHFIEBFHDVIQEA-MSOLQXFVSA-N 1 3 321.509 2.440 20 0 DEADHO C(c1nc2c(s1)CNCC2)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001235706689 1084508154 /nfs/dbraw/zinc/50/81/54/1084508154.db2.gz VMEDMUQLPROHAM-UHFFFAOYSA-N 1 3 320.506 2.000 20 0 DEADHO Fc1cccc(F)c1CN1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC001236143650 1084620457 /nfs/dbraw/zinc/62/04/57/1084620457.db2.gz ITEAAOVUYXVQEA-HNNXBMFYSA-N 1 3 323.431 2.472 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC2)C12CCC2 ZINC001078794364 1084897758 /nfs/dbraw/zinc/89/77/58/1084897758.db2.gz GCLNRJCAVQYZJO-HOTGVXAUSA-N 1 3 316.449 2.078 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001486218869 1085151208 /nfs/dbraw/zinc/15/12/08/1085151208.db2.gz AOZSNGAAGRWBMJ-HOCLYGCPSA-N 1 3 323.506 2.463 20 0 DEADHO CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000960297850 1085187181 /nfs/dbraw/zinc/18/71/81/1085187181.db2.gz YHQGSMDXBMVALK-IAGOWNOFSA-N 1 3 315.461 2.253 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1=CC[N@H+](CC2CC(C)C2)CC1)N(C)C ZINC001486519508 1085402977 /nfs/dbraw/zinc/40/29/77/1085402977.db2.gz OHGMTFIWGWSCPQ-VJFUWPCTSA-N 1 3 321.509 2.367 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1=CC[N@@H+](CC2CC(C)C2)CC1)N(C)C ZINC001486519508 1085402983 /nfs/dbraw/zinc/40/29/83/1085402983.db2.gz OHGMTFIWGWSCPQ-VJFUWPCTSA-N 1 3 321.509 2.367 20 0 DEADHO CC1CC(C[N@H+](C)C[C@H]2CCCN2C(=O)CN(C)C2CCC2)C1 ZINC000960667757 1085408363 /nfs/dbraw/zinc/40/83/63/1085408363.db2.gz JFCPITVJMKZHBH-LEOMRAHMSA-N 1 3 321.509 2.440 20 0 DEADHO CC1CC(C[N@@H+](C)C[C@H]2CCCN2C(=O)CN(C)C2CCC2)C1 ZINC000960667757 1085408366 /nfs/dbraw/zinc/40/83/66/1085408366.db2.gz JFCPITVJMKZHBH-LEOMRAHMSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCC1)C1CC1 ZINC000960679585 1085411160 /nfs/dbraw/zinc/41/11/60/1085411160.db2.gz JFVJZXPYMSIWRC-IAGOWNOFSA-N 1 3 307.482 2.050 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC1)C1CC1 ZINC000960679585 1085411163 /nfs/dbraw/zinc/41/11/63/1085411163.db2.gz JFVJZXPYMSIWRC-IAGOWNOFSA-N 1 3 307.482 2.050 20 0 DEADHO CN(C)c1cccc(CN2CCC3(CC2)CC[NH+](C)CC3)n1 ZINC001413042365 1085557459 /nfs/dbraw/zinc/55/74/59/1085557459.db2.gz VGOSZPVHCIPBNC-UHFFFAOYSA-N 1 3 302.466 2.455 20 0 DEADHO CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961189844 1085630257 /nfs/dbraw/zinc/63/02/57/1085630257.db2.gz ZURHCKSTLMKLLW-HOTGVXAUSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961189844 1085630262 /nfs/dbraw/zinc/63/02/62/1085630262.db2.gz ZURHCKSTLMKLLW-HOTGVXAUSA-N 1 3 307.482 2.051 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCC)C[C@H]21 ZINC000962272622 1086046372 /nfs/dbraw/zinc/04/63/72/1086046372.db2.gz PBAUIPGDFBGIMV-VVLHAWIVSA-N 1 3 307.482 2.097 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC)C[C@H]21 ZINC000962272622 1086046378 /nfs/dbraw/zinc/04/63/78/1086046378.db2.gz PBAUIPGDFBGIMV-VVLHAWIVSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1CCN(CC(=O)NC2CC(C[NH2+]Cc3ccsc3)C2)C1 ZINC000962310535 1086062016 /nfs/dbraw/zinc/06/20/16/1086062016.db2.gz XWWNMWKWSGIOAN-JEYLPNPQSA-N 1 3 321.490 2.074 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1cc(C)ccc1F)N(C)C ZINC001273122779 1086277345 /nfs/dbraw/zinc/27/73/45/1086277345.db2.gz HTUCSISAZQGPTF-PBHICJAKSA-N 1 3 323.456 2.459 20 0 DEADHO CN(C)CCN1CC2(CCC1=O)CC[NH+](CCC1CC1)CC2 ZINC001273164661 1087118849 /nfs/dbraw/zinc/11/88/49/1087118849.db2.gz YETBJOMVOUHJHS-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC001114662253 1087834915 /nfs/dbraw/zinc/83/49/15/1087834915.db2.gz GLGNJSUDGSOFNH-FVQHAEBGSA-N 1 3 321.509 2.488 20 0 DEADHO CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC001114662253 1087834939 /nfs/dbraw/zinc/83/49/39/1087834939.db2.gz GLGNJSUDGSOFNH-FVQHAEBGSA-N 1 3 321.509 2.488 20 0 DEADHO CC1CCC(CN2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000957328419 1088179226 /nfs/dbraw/zinc/17/92/26/1088179226.db2.gz RJYJGEMSWRZEJG-ABHNRTSZSA-N 1 3 321.509 2.299 20 0 DEADHO CC1CCC(CN2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000957328419 1088179237 /nfs/dbraw/zinc/17/92/37/1088179237.db2.gz RJYJGEMSWRZEJG-ABHNRTSZSA-N 1 3 321.509 2.299 20 0 DEADHO CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CN(CC2CCCCCC2)C1 ZINC000957386286 1088245328 /nfs/dbraw/zinc/24/53/28/1088245328.db2.gz WGJSBJPVOKOWCK-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(CC2CCCCCC2)C1 ZINC000957386286 1088245344 /nfs/dbraw/zinc/24/53/44/1088245344.db2.gz WGJSBJPVOKOWCK-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@H]1C ZINC001114832497 1088934551 /nfs/dbraw/zinc/93/45/51/1088934551.db2.gz SAWMZJPDBCBWSU-CBZIJGRNSA-N 1 3 307.482 2.097 20 0 DEADHO CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@H]1C ZINC001114832497 1088934559 /nfs/dbraw/zinc/93/45/59/1088934559.db2.gz SAWMZJPDBCBWSU-CBZIJGRNSA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)CC[NH2+][C@@]12CC[C@@](NCc3cncc(F)c3)(C1)CCC2 ZINC001276341651 1089105838 /nfs/dbraw/zinc/10/58/38/1089105838.db2.gz QPDLJQIZEKMBBX-ZWKOTPCHSA-N 1 3 320.456 2.307 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC001080755935 1089174407 /nfs/dbraw/zinc/17/44/07/1089174407.db2.gz BRLRBGBHIXURSW-ZACQAIPSSA-N 1 3 309.498 2.486 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC001080755935 1089174414 /nfs/dbraw/zinc/17/44/14/1089174414.db2.gz BRLRBGBHIXURSW-ZACQAIPSSA-N 1 3 309.498 2.486 20 0 DEADHO CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001080993459 1089279781 /nfs/dbraw/zinc/27/97/81/1089279781.db2.gz GCKPMZPAPVJXMW-RHSMWYFYSA-N 1 3 303.450 2.208 20 0 DEADHO CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001080993459 1089279783 /nfs/dbraw/zinc/27/97/83/1089279783.db2.gz GCKPMZPAPVJXMW-RHSMWYFYSA-N 1 3 303.450 2.208 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC000959850996 1089795061 /nfs/dbraw/zinc/79/50/61/1089795061.db2.gz QKFFQCNNWIAOKV-VVLHAWIVSA-N 1 3 321.509 2.342 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC000959850996 1089795077 /nfs/dbraw/zinc/79/50/77/1089795077.db2.gz QKFFQCNNWIAOKV-VVLHAWIVSA-N 1 3 321.509 2.342 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CC(C)C1)N(C)C ZINC000960045213 1089922953 /nfs/dbraw/zinc/92/29/53/1089922953.db2.gz ZCCPFNNOLRRGDX-SJJHQCBESA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CC(C)C1)N(C)C ZINC000960132112 1089975799 /nfs/dbraw/zinc/97/57/99/1089975799.db2.gz ZCCPFNNOLRRGDX-GQGLESIBSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001082559722 1090008261 /nfs/dbraw/zinc/00/82/61/1090008261.db2.gz NNIBBAVJRNPAFM-KBRIMQKVSA-N 1 3 321.509 2.199 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCC1(C[NH2+]CC[C@@H](C)F)CC1 ZINC001165809923 1090108304 /nfs/dbraw/zinc/10/83/04/1090108304.db2.gz UFJDENRAOABSQY-CQSZACIVSA-N 1 3 315.477 2.341 20 0 DEADHO CN(C)C1(C(=O)Nc2cccc(OCC[NH+](C)C)c2)CCCC1 ZINC001412470015 1091431429 /nfs/dbraw/zinc/43/14/29/1091431429.db2.gz GRUKEKYBYIMLRB-UHFFFAOYSA-N 1 3 319.449 2.440 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H](C)CC[NH+](C)C)N(C)C)cc1 ZINC001412470169 1091431551 /nfs/dbraw/zinc/43/15/51/1091431551.db2.gz HRBCJGIEIMMYEO-WBVHZDCISA-N 1 3 305.466 2.302 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H](C)CC[NH+](C)C)N(C)C)cc1 ZINC001412470165 1091431709 /nfs/dbraw/zinc/43/17/09/1091431709.db2.gz HRBCJGIEIMMYEO-RDJZCZTQSA-N 1 3 305.466 2.302 20 0 DEADHO CC(C)[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@H]1C ZINC001415224774 1091454940 /nfs/dbraw/zinc/45/49/40/1091454940.db2.gz BFXGJPGJNNNCCS-SJORKVTESA-N 1 3 309.498 2.201 20 0 DEADHO CCOC(=O)CC[N@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001274933937 1091482540 /nfs/dbraw/zinc/48/25/40/1091482540.db2.gz PEVUVLUKWULGDK-IYBDPMFKSA-N 1 3 319.449 2.112 20 0 DEADHO CCOC(=O)CC[N@@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001274933937 1091482544 /nfs/dbraw/zinc/48/25/44/1091482544.db2.gz PEVUVLUKWULGDK-IYBDPMFKSA-N 1 3 319.449 2.112 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]C/C=C/Cl)C1 ZINC001275030844 1091520523 /nfs/dbraw/zinc/52/05/23/1091520523.db2.gz ADTRUGRHCSDVQG-PWZNUNQRSA-N 1 3 313.873 2.051 20 0 DEADHO Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2cc[nH]c2)n(C)n1 ZINC001276101592 1091550091 /nfs/dbraw/zinc/55/00/91/1091550091.db2.gz CCJDKBZSVSABDV-ALOPSCKCSA-N 1 3 313.449 2.342 20 0 DEADHO CC[C@H](F)CNCCN(CC)C(=O)C12CCC[NH+](CCC1)C2 ZINC001273449773 1091772091 /nfs/dbraw/zinc/77/20/91/1091772091.db2.gz NFYVRNLNLRPLJJ-HNNXBMFYSA-N 1 3 313.461 2.049 20 0 DEADHO C[C@H]1CCCN1CC(=O)N(C)[C@H]1CCC[N@H+](CCCF)CC1 ZINC000948775686 1091929651 /nfs/dbraw/zinc/92/96/51/1091929651.db2.gz OIDDMNSNCCGLNI-HOTGVXAUSA-N 1 3 313.461 2.143 20 0 DEADHO C[C@H]1CCCN1CC(=O)N(C)[C@H]1CCC[N@@H+](CCCF)CC1 ZINC000948775686 1091929656 /nfs/dbraw/zinc/92/96/56/1091929656.db2.gz OIDDMNSNCCGLNI-HOTGVXAUSA-N 1 3 313.461 2.143 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)[C@@H]2CCC[N@H+](CCCF)CC2)C1 ZINC000948778674 1091931335 /nfs/dbraw/zinc/93/13/35/1091931335.db2.gz AFIGTWDSVMLGCA-JKSUJKDBSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)[C@@H]2CCC[N@@H+](CCCF)CC2)C1 ZINC000948778674 1091931344 /nfs/dbraw/zinc/93/13/44/1091931344.db2.gz AFIGTWDSVMLGCA-JKSUJKDBSA-N 1 3 313.461 2.001 20 0 DEADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC000948812711 1091950680 /nfs/dbraw/zinc/95/06/80/1091950680.db2.gz MHTIPUXDPKQFGH-KRWDZBQOSA-N 1 3 318.465 2.455 20 0 DEADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC000948812711 1091950688 /nfs/dbraw/zinc/95/06/88/1091950688.db2.gz MHTIPUXDPKQFGH-KRWDZBQOSA-N 1 3 318.465 2.455 20 0 DEADHO c1c[nH]c(C[N@H+]2CCC3(C2)CCN(Cc2ccnnc2)CC3)c1 ZINC001275882576 1092268445 /nfs/dbraw/zinc/26/84/45/1092268445.db2.gz QNAJNARRGDFQCC-UHFFFAOYSA-N 1 3 311.433 2.293 20 0 DEADHO c1c[nH]c(C[N@@H+]2CCC3(C2)CCN(Cc2ccnnc2)CC3)c1 ZINC001275882576 1092268457 /nfs/dbraw/zinc/26/84/57/1092268457.db2.gz QNAJNARRGDFQCC-UHFFFAOYSA-N 1 3 311.433 2.293 20 0 DEADHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(Cc1cc3ccccc3cn1)C2 ZINC001275890404 1092275238 /nfs/dbraw/zinc/27/52/38/1092275238.db2.gz DEGCGWDZHAGCNP-UZLBHIALSA-N 1 3 324.472 2.303 20 0 DEADHO CC[C@H](C)[N@@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001273924160 1092513789 /nfs/dbraw/zinc/51/37/89/1092513789.db2.gz YWVAXTLHDZBULH-HNAYVOBHSA-N 1 3 315.461 2.337 20 0 DEADHO CC[C@H](C)[N@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001273924160 1092513805 /nfs/dbraw/zinc/51/38/05/1092513805.db2.gz YWVAXTLHDZBULH-HNAYVOBHSA-N 1 3 315.461 2.337 20 0 DEADHO CCC(CC)C[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001488858116 1092783010 /nfs/dbraw/zinc/78/30/10/1092783010.db2.gz HRNFRMNSYCFURM-XIRDDKMYSA-N 1 3 309.498 2.249 20 0 DEADHO CC[C@H](C)C[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001489237920 1093000010 /nfs/dbraw/zinc/00/00/10/1093000010.db2.gz CBKBVFBLJAUVEN-GJZGRUSLSA-N 1 3 306.454 2.359 20 0 DEADHO CCC[C@H](O)CN1CCN(CCC[NH+](CCC)CCC)CC1 ZINC001252788663 1093647506 /nfs/dbraw/zinc/64/75/06/1093647506.db2.gz CJNSNCXKKYLTSK-SFHVURJKSA-N 1 3 313.530 2.277 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC001001910537 1151776391 /nfs/dbraw/zinc/77/63/91/1151776391.db2.gz FCQRBDJMBJKNLI-SFHVURJKSA-N 1 3 321.509 2.488 20 0 DEADHO Clc1ccc2c(c1)[C@@H]1C[N@@H+](CC[C@@H]3CNCCO3)CC[C@@H]1N2 ZINC001237237815 1138547111 /nfs/dbraw/zinc/54/71/11/1138547111.db2.gz XWMKUFPFLGMFQA-KMFMINBZSA-N 1 3 321.852 2.302 20 0 DEADHO Clc1ccc2c(c1)[C@@H]1C[N@H+](CC[C@@H]3CNCCO3)CC[C@@H]1N2 ZINC001237237815 1138547116 /nfs/dbraw/zinc/54/71/16/1138547116.db2.gz XWMKUFPFLGMFQA-KMFMINBZSA-N 1 3 321.852 2.302 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCF)C1CCCC1 ZINC001278240741 1138852802 /nfs/dbraw/zinc/85/28/02/1138852802.db2.gz FMRKSXGUXYIWLK-JKSUJKDBSA-N 1 3 313.461 2.095 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](CNCCF)C1CCCC1 ZINC001278240741 1138852803 /nfs/dbraw/zinc/85/28/03/1138852803.db2.gz FMRKSXGUXYIWLK-JKSUJKDBSA-N 1 3 313.461 2.095 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CNCCF)C1CCCC1 ZINC001278240741 1138852804 /nfs/dbraw/zinc/85/28/04/1138852804.db2.gz FMRKSXGUXYIWLK-JKSUJKDBSA-N 1 3 313.461 2.095 20 0 DEADHO Cc1ccc(F)c(NC(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)c1 ZINC001239216067 1138990840 /nfs/dbraw/zinc/99/08/40/1138990840.db2.gz MHRXAIUFOZZONK-ZDUSSCGKSA-N 1 3 320.412 2.130 20 0 DEADHO Cc1cc(NC(=O)NCCCN(C)CCC[NH3+])ccc1Cl ZINC001239231833 1139000416 /nfs/dbraw/zinc/00/04/16/1139000416.db2.gz TWJUGIHGNOTPEY-UHFFFAOYSA-N 1 3 312.845 2.441 20 0 DEADHO Nc1nc2cc(-c3cccc(CN4CC[NH2+]CC4)c3)ccc2[nH]1 ZINC001240246631 1139307444 /nfs/dbraw/zinc/30/74/44/1139307444.db2.gz SUWXSZSNRROKDU-UHFFFAOYSA-N 1 3 307.401 2.217 20 0 DEADHO CCN(CCC[NH2+]C[C@H](C)S(C)(=O)=O)C1CCCCC1 ZINC001335398683 1139413569 /nfs/dbraw/zinc/41/35/69/1139413569.db2.gz YBQOCJZYJAEXPX-AWEZNQCLSA-N 1 3 304.500 2.054 20 0 DEADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccccc1 ZINC001491579773 1140171765 /nfs/dbraw/zinc/17/17/65/1140171765.db2.gz NQEPRWHVKOLWJE-HNNXBMFYSA-N 1 3 305.466 2.259 20 0 DEADHO C[C@H](F)CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001318873661 1140447360 /nfs/dbraw/zinc/44/73/60/1140447360.db2.gz BESLXDYJOKCJSH-HOCLYGCPSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C[NH2+]C/C=C/Cl ZINC001319245526 1140534186 /nfs/dbraw/zinc/53/41/86/1140534186.db2.gz NPXQENPKALHJDS-KTRBRXNASA-N 1 3 303.878 2.059 20 0 DEADHO CC(C)c1ccc(OC[C@H](O)CNC[C@@H]2CCC[NH2+]C2)cc1 ZINC001245983680 1140841445 /nfs/dbraw/zinc/84/14/45/1140841445.db2.gz UEOXICAPJCOGQO-NVXWUHKLSA-N 1 3 306.450 2.139 20 0 DEADHO NC1(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2)CCCCC1 ZINC001245991927 1140843112 /nfs/dbraw/zinc/84/31/12/1140843112.db2.gz IRLMSUKBMNOCMT-AWEZNQCLSA-N 1 3 312.841 2.331 20 0 DEADHO CCCC[C@H](CC)COC[C@H](O)CNCC[C@H]1CCC[NH2+]1 ZINC001245992159 1140843142 /nfs/dbraw/zinc/84/31/42/1140843142.db2.gz FUANZXHVWQOXEM-GVDBMIGSSA-N 1 3 300.487 2.312 20 0 DEADHO CCN(CC)C[C@@H](O)C[NH+]1CCC2(Cc3ccccc3N2)CC1 ZINC001246064339 1140856044 /nfs/dbraw/zinc/85/60/44/1140856044.db2.gz LGEHKRXCTBFJLV-QGZVFWFLSA-N 1 3 317.477 2.192 20 0 DEADHO CCN(CC)C[C@H](O)C[NH+]1CCC2(Cc3ccccc3N2)CC1 ZINC001246064336 1140856192 /nfs/dbraw/zinc/85/61/92/1140856192.db2.gz LGEHKRXCTBFJLV-KRWDZBQOSA-N 1 3 317.477 2.192 20 0 DEADHO O=C(c1ccccc1)N1CCC[C@@H]([NH2+]C2CCNCC2)CC1 ZINC001246082148 1140858532 /nfs/dbraw/zinc/85/85/32/1140858532.db2.gz WKKHDWDQZBXHRL-MRXNPFEDSA-N 1 3 301.434 2.023 20 0 DEADHO O[C@]1(CN[C@H]2CCc3c(Cl)cccc3C2)CCCC[NH2+]C1 ZINC001246094910 1140860159 /nfs/dbraw/zinc/86/01/59/1140860159.db2.gz GWLRUVFLCSJNHU-WMLDXEAASA-N 1 3 308.853 2.292 20 0 DEADHO O[C@]1(C[NH2+][C@H]2CCc3c(Cl)cccc3C2)CCCCNC1 ZINC001246094910 1140860161 /nfs/dbraw/zinc/86/01/61/1140860161.db2.gz GWLRUVFLCSJNHU-WMLDXEAASA-N 1 3 308.853 2.292 20 0 DEADHO Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@@H](F)CN2)CCN1 ZINC001246105287 1140861292 /nfs/dbraw/zinc/86/12/92/1140861292.db2.gz CXGHQTXKFBKKMF-PNBKFKSVSA-N 1 3 309.404 2.217 20 0 DEADHO Cc1cc(F)ccc1[C@H]1C[C@@H](N[C@H]2CCNC[C@@H]2F)CC[NH2+]1 ZINC001246108133 1140861956 /nfs/dbraw/zinc/86/19/56/1140861956.db2.gz HWHIFQVVOPIENA-QSPRXWTASA-N 1 3 309.404 2.217 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)Nc3ccccc3)CC2)CCN1 ZINC001246240613 1140876538 /nfs/dbraw/zinc/87/65/38/1140876538.db2.gz RCBMEAZSFZXNJR-RHSMWYFYSA-N 1 3 316.449 2.413 20 0 DEADHO CCC[NH2+]CC[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001320551036 1140878258 /nfs/dbraw/zinc/87/82/58/1140878258.db2.gz ZTYCAYCJNNMUOR-BBRMVZONSA-N 1 3 301.450 2.093 20 0 DEADHO COc1ccc(CN2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246364277 1140888568 /nfs/dbraw/zinc/88/85/68/1140888568.db2.gz UXPSLCUQJYLGQI-KTGAGVNESA-N 1 3 315.461 2.142 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)C3CCCC3)CC2)CCN1 ZINC001246404529 1140895020 /nfs/dbraw/zinc/89/50/20/1140895020.db2.gz OHNRTEQXQXMPPX-DZUCGIPZSA-N 1 3 307.482 2.334 20 0 DEADHO Brc1cccc([C@H]2CN([C@H]3CCC[NH2+]C3)CCN2)c1 ZINC001246807356 1141068086 /nfs/dbraw/zinc/06/80/86/1141068086.db2.gz QMJTWNNOUVTJPR-LSDHHAIUSA-N 1 3 324.266 2.147 20 0 DEADHO Cc1ccc(SC[C@H](C)N2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1 ZINC001246859421 1141090578 /nfs/dbraw/zinc/09/05/78/1141090578.db2.gz KTGBBMVPIKCRRR-VVDCQGDTSA-N 1 3 306.475 2.381 20 0 DEADHO CCc1ccc(C[C@@H](C)[N@@H+]2CC[C@H](N)[C@@H](C(=O)OC)C2)cc1 ZINC001246949518 1141167879 /nfs/dbraw/zinc/16/78/79/1141167879.db2.gz SRCRBBRVVJNNAP-COXVUDFISA-N 1 3 304.434 2.002 20 0 DEADHO CCc1ccc(C[C@@H](C)[N@H+]2CC[C@H](N)[C@@H](C(=O)OC)C2)cc1 ZINC001246949518 1141167903 /nfs/dbraw/zinc/16/79/03/1141167903.db2.gz SRCRBBRVVJNNAP-COXVUDFISA-N 1 3 304.434 2.002 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC/C=C\C[NH2+]CC1CCC(C)CC1 ZINC001321352172 1141193939 /nfs/dbraw/zinc/19/39/39/1141193939.db2.gz COWBDIDQMAJJPP-ARJAWSKDSA-N 1 3 318.465 2.349 20 0 DEADHO CC(C)(C)c1ccc(-c2noc(C34CNCC3C[NH2+]C4)n2)cc1 ZINC001247849481 1141557792 /nfs/dbraw/zinc/55/77/92/1141557792.db2.gz DMFZVUCSOXHFGT-UHFFFAOYSA-N 1 3 312.417 2.095 20 0 DEADHO CN(CCC[NH2+]CC1CCCCC1)C(=O)CN(C)C1CCC1 ZINC001322544010 1141624914 /nfs/dbraw/zinc/62/49/14/1141624914.db2.gz RSKNNABHSGMIBL-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCN2CCC2=CCCCC2)C1 ZINC001323335664 1141843006 /nfs/dbraw/zinc/84/30/06/1141843006.db2.gz NQSYUEGYYRNMLS-QZTJIDSGSA-N 1 3 319.493 2.409 20 0 DEADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CCN2CCC2=CCCCC2)C1 ZINC001323335664 1141843008 /nfs/dbraw/zinc/84/30/08/1141843008.db2.gz NQSYUEGYYRNMLS-QZTJIDSGSA-N 1 3 319.493 2.409 20 0 DEADHO CCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001323872158 1141895464 /nfs/dbraw/zinc/89/54/64/1141895464.db2.gz HPUHPVNYYGVEFQ-GOSISDBHSA-N 1 3 309.498 2.443 20 0 DEADHO CCCCC[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001323872158 1141895465 /nfs/dbraw/zinc/89/54/65/1141895465.db2.gz HPUHPVNYYGVEFQ-GOSISDBHSA-N 1 3 309.498 2.443 20 0 DEADHO CN(C)c1cc(NC2=CC[C@@H](N3CCOCC3)CC2)cc[nH+]1 ZINC001249555914 1141901368 /nfs/dbraw/zinc/90/13/68/1141901368.db2.gz CLSCJXZVRHMYJY-MRXNPFEDSA-N 1 3 302.422 2.328 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCCCCF)C(C)(C)C1)N(C)C ZINC001278685286 1142825417 /nfs/dbraw/zinc/82/54/17/1142825417.db2.gz WDBSDRYEPHALFK-LSDHHAIUSA-N 1 3 315.477 2.293 20 0 DEADHO CCN(CC)C[C@H](O)C[NH2+][C@H]1CSc2ccc(OC)cc2C1 ZINC001253216026 1142855314 /nfs/dbraw/zinc/85/53/14/1142855314.db2.gz FXBGAVUHDMIESX-HUUCEWRRSA-N 1 3 324.490 2.004 20 0 DEADHO CC(C)(C)NC[C@@H](O)C[NH2+]C12CC3(O)C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC001253406487 1142870029 /nfs/dbraw/zinc/87/00/29/1142870029.db2.gz NEURDJWDEDWUBU-LVJCMDJASA-N 1 3 324.509 2.189 20 0 DEADHO CC(C)(C)[NH2+]C[C@@H](O)CNC12CC3(O)C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC001253406487 1142870030 /nfs/dbraw/zinc/87/00/30/1142870030.db2.gz NEURDJWDEDWUBU-LVJCMDJASA-N 1 3 324.509 2.189 20 0 DEADHO CN1CCC[C@H]([N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)CC1 ZINC001254521890 1143196043 /nfs/dbraw/zinc/19/60/43/1143196043.db2.gz ZWXQQBJPEKLVHT-JYJNAYRXSA-N 1 3 323.481 2.412 20 0 DEADHO CN1CCC[C@H]([N@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)CC1 ZINC001254521890 1143196072 /nfs/dbraw/zinc/19/60/72/1143196072.db2.gz ZWXQQBJPEKLVHT-JYJNAYRXSA-N 1 3 323.481 2.412 20 0 DEADHO C[C@@H](CN)C[N@H+](C)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254972605 1143377295 /nfs/dbraw/zinc/37/72/95/1143377295.db2.gz UVXJPAXCCNQILO-AJNGGQMLSA-N 1 3 311.470 2.301 20 0 DEADHO C[C@@H](CN)C[N@@H+](C)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254972605 1143377302 /nfs/dbraw/zinc/37/73/02/1143377302.db2.gz UVXJPAXCCNQILO-AJNGGQMLSA-N 1 3 311.470 2.301 20 0 DEADHO COC(=O)CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255128948 1143435004 /nfs/dbraw/zinc/43/50/04/1143435004.db2.gz RSVZDCCRDBDZEY-BJWYYQGGSA-N 1 3 302.418 2.335 20 0 DEADHO COC(=O)CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255128948 1143435016 /nfs/dbraw/zinc/43/50/16/1143435016.db2.gz RSVZDCCRDBDZEY-BJWYYQGGSA-N 1 3 302.418 2.335 20 0 DEADHO CCC[NH2+][C@H]1CCc2c(sc(=N)n2[C@@H]2CCCN(C)C2)C1 ZINC001255488989 1143695084 /nfs/dbraw/zinc/69/50/84/1143695084.db2.gz JPHZXLDTYSJPMU-QWHCGFSZSA-N 1 3 308.495 2.153 20 0 DEADHO COCc1cccc([C@H](CO)[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)c1 ZINC001255676467 1143801320 /nfs/dbraw/zinc/80/13/20/1143801320.db2.gz MZDFLMYTDUMNQO-IPQPSQTFSA-N 1 3 318.461 2.471 20 0 DEADHO CC/C=C\CCN1CC[C@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001479240628 1143802743 /nfs/dbraw/zinc/80/27/43/1143802743.db2.gz IIVJMFJBJHZHTQ-WLMCBFPDSA-N 1 3 307.482 2.217 20 0 DEADHO CC[NH+](CC)CC[C@@H](C)N[C@@H](CN1CCOCC1)C(C)(C)C ZINC001255955437 1143816883 /nfs/dbraw/zinc/81/68/83/1143816883.db2.gz TVWDSTCKVQIDKD-SJORKVTESA-N 1 3 313.530 2.443 20 0 DEADHO CCCCN(C)CCC[NH2+]C1CCN(c2ncccn2)CC1 ZINC001256046382 1143824759 /nfs/dbraw/zinc/82/47/59/1143824759.db2.gz IILPAMTYPFADNF-UHFFFAOYSA-N 1 3 305.470 2.157 20 0 DEADHO CC(C)CC[C@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001256364324 1143844941 /nfs/dbraw/zinc/84/49/41/1143844941.db2.gz IYCRMLFMWMWZNR-MHORFTMASA-N 1 3 319.497 2.497 20 0 DEADHO CC(C)CC[C@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001256364324 1143844942 /nfs/dbraw/zinc/84/49/42/1143844942.db2.gz IYCRMLFMWMWZNR-MHORFTMASA-N 1 3 319.497 2.497 20 0 DEADHO CN1CCC[C@H]1CC[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC001256582138 1143855353 /nfs/dbraw/zinc/85/53/53/1143855353.db2.gz IYEPGJZZGVPHRG-SFHVURJKSA-N 1 3 302.466 2.120 20 0 DEADHO CN(C)[C@H]1CCCC[C@@H]1[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256682539 1143861686 /nfs/dbraw/zinc/86/16/86/1143861686.db2.gz KONGEAPAOKZVFR-FOIPXRHGSA-N 1 3 309.498 2.092 20 0 DEADHO O[C@H](C[NH2+]C1CCC(N2CCOCC2)CC1)C1CCCCC1 ZINC001256686189 1143862531 /nfs/dbraw/zinc/86/25/31/1143862531.db2.gz KWGIPUXUBBEDJV-DAWZGUTISA-N 1 3 310.482 2.161 20 0 DEADHO CN(CC(=O)N[C@H](C[NH2+]CCF)C(C)(C)C)CC(C)(C)C ZINC001279003363 1143895495 /nfs/dbraw/zinc/89/54/95/1143895495.db2.gz XKZAWSCCUWDESK-CYBMUJFWSA-N 1 3 303.466 2.054 20 0 DEADHO C[C@@H](Cc1ccncc1)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001256731494 1143864839 /nfs/dbraw/zinc/86/48/39/1143864839.db2.gz IBYGNBMSBQPMFQ-SZMVWBNQSA-N 1 3 303.450 2.246 20 0 DEADHO [NH3+]CC1(NC2CCN(c3ncccc3C(F)(F)F)CC2)CC1 ZINC001256885613 1143873105 /nfs/dbraw/zinc/87/31/05/1143873105.db2.gz YSYLVWHLOFBPGE-UHFFFAOYSA-N 1 3 314.355 2.150 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C[NH2+]C/C=C/Cl)C(C)(C)C)N(C)C ZINC001279002404 1143895060 /nfs/dbraw/zinc/89/50/60/1143895060.db2.gz NTXUCFADWNOTMP-AYSSICMYSA-N 1 3 303.878 2.200 20 0 DEADHO COCC[N@H+](C1CCN(C)CC1)C1CCN(CC(C)C)CC1 ZINC001258014462 1143965890 /nfs/dbraw/zinc/96/58/90/1143965890.db2.gz LAFIYCMIFXZVOW-UHFFFAOYSA-N 1 3 311.514 2.149 20 0 DEADHO COCC[N@@H+](C1CCN(C)CC1)C1CCN(CC(C)C)CC1 ZINC001258014462 1143965894 /nfs/dbraw/zinc/96/58/94/1143965894.db2.gz LAFIYCMIFXZVOW-UHFFFAOYSA-N 1 3 311.514 2.149 20 0 DEADHO c1ccc(CC[NH+]2CCC(N3CC(N4CCCC4)C3)CC2)cc1 ZINC001258145748 1143978388 /nfs/dbraw/zinc/97/83/88/1143978388.db2.gz JRUSECTVKDEVKX-UHFFFAOYSA-N 1 3 313.489 2.474 20 0 DEADHO CCC[NH+]1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC001258773732 1144040253 /nfs/dbraw/zinc/04/02/53/1144040253.db2.gz AEJNORVSBJUBBG-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO CCCN1CCC([NH+]2CCC(C)(N3CCOCC3)CC2)CC1 ZINC001258775602 1144040665 /nfs/dbraw/zinc/04/06/65/1144040665.db2.gz VVJPDEFEMHFMIO-UHFFFAOYSA-N 1 3 309.498 2.048 20 0 DEADHO COc1ccccc1C[C@H](C)[NH2+]CCN1CCN(C(C)C)CC1 ZINC001258881058 1144050011 /nfs/dbraw/zinc/05/00/11/1144050011.db2.gz NBWAFFDHANOHEH-KRWDZBQOSA-N 1 3 319.493 2.242 20 0 DEADHO Cc1cc(NC(=O)CCNC[C@H]2CC[N@@H+](C(C)(C)C)C2)no1 ZINC001262566815 1144319701 /nfs/dbraw/zinc/31/97/01/1144319701.db2.gz BBTPGFMLOXTPNX-CYBMUJFWSA-N 1 3 308.426 2.022 20 0 DEADHO Cc1cc(NC(=O)CCNC[C@H]2CC[N@H+](C(C)(C)C)C2)no1 ZINC001262566815 1144319705 /nfs/dbraw/zinc/31/97/05/1144319705.db2.gz BBTPGFMLOXTPNX-CYBMUJFWSA-N 1 3 308.426 2.022 20 0 DEADHO C[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCCF)C1)N1CCCCCC1 ZINC001263873890 1144418240 /nfs/dbraw/zinc/41/82/40/1144418240.db2.gz KALSVYDOGNIACW-BZUAXINKSA-N 1 3 313.461 2.095 20 0 DEADHO CC/C=C/CC[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001264403182 1144529940 /nfs/dbraw/zinc/52/99/40/1144529940.db2.gz HBGZATLBAQQHFT-XAXOSQJESA-N 1 3 307.482 2.169 20 0 DEADHO C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@H]1CC[NH2+]CC1CCC1 ZINC001264518010 1144556964 /nfs/dbraw/zinc/55/69/64/1144556964.db2.gz NSMIQRFEVCFPQW-YOEHRIQHSA-N 1 3 318.465 2.359 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[N@@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001265061678 1144635030 /nfs/dbraw/zinc/63/50/30/1144635030.db2.gz ADAXLKPGJOKRMJ-OAGGEKHMSA-N 1 3 318.465 2.135 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[N@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001265061678 1144635031 /nfs/dbraw/zinc/63/50/31/1144635031.db2.gz ADAXLKPGJOKRMJ-OAGGEKHMSA-N 1 3 318.465 2.135 20 0 DEADHO CN1CCC[C@@H]1C(=O)NCCC[N@H+](CCC(F)(F)F)C1CC1 ZINC001265156074 1144656277 /nfs/dbraw/zinc/65/62/77/1144656277.db2.gz MYMURBTZHKFHSZ-CYBMUJFWSA-N 1 3 321.387 2.004 20 0 DEADHO CN1CCC[C@@H]1C(=O)NCCC[N@@H+](CCC(F)(F)F)C1CC1 ZINC001265156074 1144656282 /nfs/dbraw/zinc/65/62/82/1144656282.db2.gz MYMURBTZHKFHSZ-CYBMUJFWSA-N 1 3 321.387 2.004 20 0 DEADHO CC(C)=CC[NH2+]C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001265613509 1144718156 /nfs/dbraw/zinc/71/81/56/1144718156.db2.gz QCJBVVWIKKOFKP-MRXNPFEDSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[N@H+](CCCCCF)CC1 ZINC001280775161 1144854409 /nfs/dbraw/zinc/85/44/09/1144854409.db2.gz ATORDPDDSNXMIA-MRXNPFEDSA-N 1 3 315.477 2.437 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[N@@H+](CCCCCF)CC1 ZINC001280775161 1144854411 /nfs/dbraw/zinc/85/44/11/1144854411.db2.gz ATORDPDDSNXMIA-MRXNPFEDSA-N 1 3 315.477 2.437 20 0 DEADHO CC[N@@H+]1CCN(C(=O)NC[C@@H](c2ccsc2)N(C)C)[C@@H](C)C1 ZINC001364199921 1145074213 /nfs/dbraw/zinc/07/42/13/1145074213.db2.gz HUIOBLDNUPTDHT-ZFWWWQNUSA-N 1 3 324.494 2.086 20 0 DEADHO CC[N@H+]1CCN(C(=O)NC[C@@H](c2ccsc2)N(C)C)[C@@H](C)C1 ZINC001364199921 1145074220 /nfs/dbraw/zinc/07/42/20/1145074220.db2.gz HUIOBLDNUPTDHT-ZFWWWQNUSA-N 1 3 324.494 2.086 20 0 DEADHO C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(Nc3ccncc3)cc2)C1 ZINC001364224222 1145088755 /nfs/dbraw/zinc/08/87/55/1145088755.db2.gz HPONHSXAESCTJG-OAHLLOKOSA-N 1 3 324.428 2.205 20 0 DEADHO C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(Nc3ccncc3)cc2)C1 ZINC001364224222 1145088761 /nfs/dbraw/zinc/08/87/61/1145088761.db2.gz HPONHSXAESCTJG-OAHLLOKOSA-N 1 3 324.428 2.205 20 0 DEADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@@H]1CCC[C@@]3(CCOC3)O1)C2 ZINC001364424044 1145240903 /nfs/dbraw/zinc/24/09/03/1145240903.db2.gz BODXAVQEMJLFHR-KSZLIROESA-N 1 3 308.466 2.132 20 0 DEADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@@H]1CCC[C@@]3(CCOC3)O1)C2 ZINC001364424044 1145240910 /nfs/dbraw/zinc/24/09/10/1145240910.db2.gz BODXAVQEMJLFHR-KSZLIROESA-N 1 3 308.466 2.132 20 0 DEADHO O=C1C[C@@H]([NH2+]C2CCN(CC3CC3)CC2)CN1C1CCCCC1 ZINC001364690122 1145467734 /nfs/dbraw/zinc/46/77/34/1145467734.db2.gz WGLRTVNJUXGILE-QGZVFWFLSA-N 1 3 319.493 2.384 20 0 DEADHO CC[C@H](C(=O)N1CCCCC[C@H]([NH2+]C/C=C/Cl)C1)N(C)C ZINC001365883054 1146038730 /nfs/dbraw/zinc/03/87/30/1146038730.db2.gz HKEMCGAYYKLMOP-AZHOBDGFSA-N 1 3 315.889 2.440 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C1CC[NH+](CCC2CC2)CC1)N(C)C ZINC001365920733 1146910236 /nfs/dbraw/zinc/91/02/36/1146910236.db2.gz WKQWLMICSSKROX-KRWDZBQOSA-N 1 3 309.498 2.296 20 0 DEADHO C[C@@H](NCCF)[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001365923510 1146911834 /nfs/dbraw/zinc/91/18/34/1146911834.db2.gz GHCUKXZGONIXAY-ZBFHGGJFSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001366092285 1147050028 /nfs/dbraw/zinc/05/00/28/1147050028.db2.gz JUHFUBXGVXHBJM-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001366129947 1147069729 /nfs/dbraw/zinc/06/97/29/1147069729.db2.gz DEAKHOXTTPXKDM-ZHCJQAHYSA-N 1 3 307.482 2.001 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CNC(=O)CN2CC[C@H](C)C2)cc1C ZINC001366331925 1147219334 /nfs/dbraw/zinc/21/93/34/1147219334.db2.gz IOJWFMZFJACNIN-YOEHRIQHSA-N 1 3 317.477 2.240 20 0 DEADHO C[C@H](CNC(=O)CCC[NH+]1CCCCC1)NC/C=C\Cl ZINC001366371468 1147240744 /nfs/dbraw/zinc/24/07/44/1147240744.db2.gz WWFJEERHSODCQI-IQCBXXCUSA-N 1 3 301.862 2.099 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]C/C=C\c2ccccc2)C1)N(C)C ZINC001366381715 1147244170 /nfs/dbraw/zinc/24/41/70/1147244170.db2.gz SPMKAPXCIRPKGY-OPEQHFAOSA-N 1 3 315.461 2.231 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+]CCO[C@H]2CC2(F)F)CC1 ZINC001308855629 1147488580 /nfs/dbraw/zinc/48/85/80/1147488580.db2.gz QSFOWSBXLYFIPH-SLTAFYQDSA-N 1 3 318.408 2.034 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@H](CN(C)C/C=C/Cl)C1)[NH+](C)C ZINC001366876046 1147602851 /nfs/dbraw/zinc/60/28/51/1147602851.db2.gz GZGKBKBVPQGRPP-ODYMAQSMSA-N 1 3 315.889 2.105 20 0 DEADHO CN(CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)CCC(F)(F)F ZINC001316828891 1147610461 /nfs/dbraw/zinc/61/04/61/1147610461.db2.gz MKRSCULAIHYNIH-ZDUSSCGKSA-N 1 3 323.403 2.251 20 0 DEADHO CN(CCCNC(=O)CC[C@@H]1CCC[N@H+]1C)CCC(F)(F)F ZINC001316828891 1147610462 /nfs/dbraw/zinc/61/04/62/1147610462.db2.gz MKRSCULAIHYNIH-ZDUSSCGKSA-N 1 3 323.403 2.251 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1C[NH+](CC2CC(C)(C)C2)C1 ZINC001366990786 1147629341 /nfs/dbraw/zinc/62/93/41/1147629341.db2.gz WVHVWBVXPDIJDA-GASCZTMLSA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@H](CNC(=O)[C@H]1CCCN1C(C)C)[NH2+]C/C=C\Cl ZINC001367097568 1147649529 /nfs/dbraw/zinc/64/95/29/1147649529.db2.gz DMGKMEHDUUIQQI-JFDUVMPXSA-N 1 3 301.862 2.096 20 0 DEADHO CC[C@@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1cc(F)ccc1C ZINC001367117976 1147652378 /nfs/dbraw/zinc/65/23/78/1147652378.db2.gz KMRZEJJVMFMWTN-IRXDYDNUSA-N 1 3 323.456 2.459 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H](C[NH2+]CCF)C2)c1 ZINC001317163632 1147668543 /nfs/dbraw/zinc/66/85/43/1147668543.db2.gz BIPVQENOINHOCD-MRXNPFEDSA-N 1 3 321.440 2.160 20 0 DEADHO CCC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001317211862 1147677656 /nfs/dbraw/zinc/67/76/56/1147677656.db2.gz JNCXWXWULBRKTD-GBNRLNKQSA-N 1 3 319.493 2.264 20 0 DEADHO CCC/C=C\CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001317211862 1147677657 /nfs/dbraw/zinc/67/76/57/1147677657.db2.gz JNCXWXWULBRKTD-GBNRLNKQSA-N 1 3 319.493 2.264 20 0 DEADHO C[C@@H](C[NH2+]CC1CCCCCC1)N(C)C(=O)[C@H]1CCCN1C ZINC001367362720 1147684245 /nfs/dbraw/zinc/68/42/45/1147684245.db2.gz VHNLQNWKNOUPAD-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCCC2CCCC2)C1 ZINC001317313313 1147689453 /nfs/dbraw/zinc/68/94/53/1147689453.db2.gz PELICWRSEWEQSG-ZWKOTPCHSA-N 1 3 321.509 2.489 20 0 DEADHO Cc1ccc(F)c(CNC[C@@H](C)N(C)C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001367408736 1147690248 /nfs/dbraw/zinc/69/02/48/1147690248.db2.gz VCMRCWURXYOCGM-HUUCEWRRSA-N 1 3 321.440 2.022 20 0 DEADHO Cc1ccc(F)c(CNC[C@@H](C)N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001367408736 1147690250 /nfs/dbraw/zinc/69/02/50/1147690250.db2.gz VCMRCWURXYOCGM-HUUCEWRRSA-N 1 3 321.440 2.022 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2)[C@@H](C)C1 ZINC001367437425 1147694178 /nfs/dbraw/zinc/69/41/78/1147694178.db2.gz HERBMLKQMDERAA-WMZOPIPTSA-N 1 3 317.477 2.353 20 0 DEADHO CC1CC(C[N@H+](C)CCN(C)C(=O)CN(C)CC(C)(C)C)C1 ZINC001367538985 1147712041 /nfs/dbraw/zinc/71/20/41/1147712041.db2.gz VYHRBKSXPYNPBL-UHFFFAOYSA-N 1 3 311.514 2.401 20 0 DEADHO CC1CC(C[N@@H+](C)CCN(C)C(=O)CN(C)CC(C)(C)C)C1 ZINC001367538985 1147712042 /nfs/dbraw/zinc/71/20/42/1147712042.db2.gz VYHRBKSXPYNPBL-UHFFFAOYSA-N 1 3 311.514 2.401 20 0 DEADHO Cc1ccccc1CCC[NH2+]CCN(C)C(=O)CN1CCCC1 ZINC001317661447 1147740481 /nfs/dbraw/zinc/74/04/81/1147740481.db2.gz LXXLPDFKYRLCLW-UHFFFAOYSA-N 1 3 317.477 2.071 20 0 DEADHO CC[C@@H](F)CNC1(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001368029124 1147835382 /nfs/dbraw/zinc/83/53/82/1147835382.db2.gz WMQJUZTVQPQDIW-MRXNPFEDSA-N 1 3 321.440 2.348 20 0 DEADHO CC(C)C[NH2+]C1(CNC(=O)[C@H](C(C)C)N2CCCCC2)CC1 ZINC001368044833 1147840297 /nfs/dbraw/zinc/84/02/97/1147840297.db2.gz RIDGDQUAIDNICA-INIZCTEOSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@H](NCC1(CN2CCOCC2)CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422845478 529591975 /nfs/dbraw/zinc/59/19/75/529591975.db2.gz BVTKTDRVFBVWQV-ROUUACIJSA-N 1 3 323.525 2.389 20 0 DEADHO CC[C@H](NCc1ccncc1OCCN(C)C)[C@H]1CCCC[NH2+]1 ZINC000423121467 529633302 /nfs/dbraw/zinc/63/33/02/529633302.db2.gz IJWMHOFQEXALFU-DLBZAZTESA-N 1 3 320.481 2.032 20 0 DEADHO CN(C)[C@H](CNC(=O)C[C@H]1CCCC[C@H]1[NH3+])Cc1ccccc1 ZINC000449314055 282238672 /nfs/dbraw/zinc/23/86/72/282238672.db2.gz YLNDULVWZYIGFS-FGTMMUONSA-N 1 3 317.477 2.183 20 0 DEADHO C[C@@H]1C[NH+](CC2CCN(Cc3cccn3C)CC2)C[C@@H](C)O1 ZINC000092587553 185327784 /nfs/dbraw/zinc/32/77/84/185327784.db2.gz AQSSMWZRZNKOQQ-HZPDHXFCSA-N 1 3 305.466 2.346 20 0 DEADHO Cc1ccc(C[NH+]2CCC(C(=O)NCCN(C)C)CC2)c(C)c1 ZINC000092615724 185328811 /nfs/dbraw/zinc/32/88/11/185328811.db2.gz KEYCHIVHDATHKI-UHFFFAOYSA-N 1 3 317.477 2.193 20 0 DEADHO COCCOCC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821389 185343978 /nfs/dbraw/zinc/34/39/78/185343978.db2.gz HFLHBNYVSHEWRV-UHFFFAOYSA-N 1 3 321.465 2.283 20 0 DEADHO COCCOCC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821389 185343979 /nfs/dbraw/zinc/34/39/79/185343979.db2.gz HFLHBNYVSHEWRV-UHFFFAOYSA-N 1 3 321.465 2.283 20 0 DEADHO CSC[C@@H](O)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000614557903 362408115 /nfs/dbraw/zinc/40/81/15/362408115.db2.gz FDOAWRSIXBOXDJ-INIZCTEOSA-N 1 3 300.512 2.298 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)Cc3ccc(F)cc3)CC[C@H]21 ZINC000292691487 530058981 /nfs/dbraw/zinc/05/89/81/530058981.db2.gz CODFMEBDWWTFSO-KBAYOESNSA-N 1 3 306.425 2.145 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C[C@H](O)Cc3ccc(F)cc3)CC[C@H]21 ZINC000292691487 530058982 /nfs/dbraw/zinc/05/89/82/530058982.db2.gz CODFMEBDWWTFSO-KBAYOESNSA-N 1 3 306.425 2.145 20 0 DEADHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)Cc3ccc(F)cc3)CC[C@H]21 ZINC000292691487 530058983 /nfs/dbraw/zinc/05/89/83/530058983.db2.gz CODFMEBDWWTFSO-KBAYOESNSA-N 1 3 306.425 2.145 20 0 DEADHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)Cc3ccc(F)cc3)CC[C@H]21 ZINC000292691487 530058984 /nfs/dbraw/zinc/05/89/84/530058984.db2.gz CODFMEBDWWTFSO-KBAYOESNSA-N 1 3 306.425 2.145 20 0 DEADHO C[C@@H](C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)N1CCCCCC1 ZINC000174319195 295747583 /nfs/dbraw/zinc/74/75/83/295747583.db2.gz AGFZNSVLBXHSRK-DLBZAZTESA-N 1 3 307.482 2.195 20 0 DEADHO CN(C)C(=O)c1cccc(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166699709 539611228 /nfs/dbraw/zinc/61/12/28/539611228.db2.gz YQLFYNMLBRKJGV-ZWKOTPCHSA-N 1 3 315.461 2.147 20 0 DEADHO CN(C)C(=O)c1cccc(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166699709 539611232 /nfs/dbraw/zinc/61/12/32/539611232.db2.gz YQLFYNMLBRKJGV-ZWKOTPCHSA-N 1 3 315.461 2.147 20 0 DEADHO CC1CCN(CCNC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000193842375 539716304 /nfs/dbraw/zinc/71/63/04/539716304.db2.gz AMIKVGDDZZULPT-UHFFFAOYSA-N 1 3 324.513 2.280 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])N2CCCC2)cc1 ZINC000237879291 539750540 /nfs/dbraw/zinc/75/05/40/539750540.db2.gz GUDRERSNDXSEPX-FGTMMUONSA-N 1 3 315.461 2.376 20 0 DEADHO C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(-n2cncn2)cc1 ZINC000152477042 186077391 /nfs/dbraw/zinc/07/73/91/186077391.db2.gz HONZXFJQWBDGCM-LSDHHAIUSA-N 1 3 311.433 2.402 20 0 DEADHO C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(-n2cncn2)cc1 ZINC000152477042 186077393 /nfs/dbraw/zinc/07/73/93/186077393.db2.gz HONZXFJQWBDGCM-LSDHHAIUSA-N 1 3 311.433 2.402 20 0 DEADHO CN1CCC(C[NH2+][C@@H]2CCCC(C)(C)C2)(N2CCOCC2)CC1 ZINC000414184406 282695625 /nfs/dbraw/zinc/69/56/25/282695625.db2.gz FUCUKIOGPMEFQW-QGZVFWFLSA-N 1 3 323.525 2.341 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCc1ccccc1C[NH+](C)C ZINC000264251143 186327202 /nfs/dbraw/zinc/32/72/02/186327202.db2.gz HAFHKYPBSNABKJ-KRWDZBQOSA-N 1 3 303.450 2.239 20 0 DEADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1oc2ccccc2c1CN(C)C ZINC000262841906 186311690 /nfs/dbraw/zinc/31/16/90/186311690.db2.gz RKMBCJMMADJCTE-IUODEOHRSA-N 1 3 315.417 2.222 20 0 DEADHO [NH3+]Cc1cccc(NC(=O)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000315541085 539885007 /nfs/dbraw/zinc/88/50/07/539885007.db2.gz KMUVNTGLLNDWQS-INIZCTEOSA-N 1 3 302.422 2.237 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000174154924 198299269 /nfs/dbraw/zinc/29/92/69/198299269.db2.gz JRXSDHIBRHQGBE-QGZVFWFLSA-N 1 3 303.450 2.305 20 0 DEADHO C[C@@H](CCNC(=O)C1CCN(C)CC1)[N@H+](C)Cc1ccccc1 ZINC000174415081 198332505 /nfs/dbraw/zinc/33/25/05/198332505.db2.gz LRRRHUJAUADTBS-INIZCTEOSA-N 1 3 317.477 2.355 20 0 DEADHO C[C@@H](CCNC(=O)C1CCN(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000174415081 198332506 /nfs/dbraw/zinc/33/25/06/198332506.db2.gz LRRRHUJAUADTBS-INIZCTEOSA-N 1 3 317.477 2.355 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000174452061 198336705 /nfs/dbraw/zinc/33/67/05/198336705.db2.gz BVTZXIMMUVKPTG-GOSISDBHSA-N 1 3 317.477 2.310 20 0 DEADHO Cn1ccc(CN2CCC(C[NH+]3CCCCCC3)CC2)cc1=O ZINC000051793726 354389336 /nfs/dbraw/zinc/38/93/36/354389336.db2.gz QLDYGYLAPBENTD-UHFFFAOYSA-N 1 3 317.477 2.473 20 0 DEADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C2CCN(C)CC2)C1 ZINC000072963266 354932981 /nfs/dbraw/zinc/93/29/81/354932981.db2.gz WHOABZIFBJBTLB-HOTGVXAUSA-N 1 3 309.498 2.203 20 0 DEADHO CC[NH+](CC)C[C@H](C)NC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000351710367 540059002 /nfs/dbraw/zinc/05/90/02/540059002.db2.gz PDWMTBUBFDJZPE-LSDHHAIUSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H](CNC(=O)NCCN1CCCCC1)[N@@H+]1CCCC[C@@H]1C ZINC000078988515 355290448 /nfs/dbraw/zinc/29/04/48/355290448.db2.gz JRBRIFPBBUPBCV-HOTGVXAUSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@@H](CNC(=O)NCCN1CCCCC1)[N@H+]1CCCC[C@@H]1C ZINC000078988515 355290451 /nfs/dbraw/zinc/29/04/51/355290451.db2.gz JRBRIFPBBUPBCV-HOTGVXAUSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCOc1ncccc1C(F)(F)F ZINC000090605848 355564063 /nfs/dbraw/zinc/56/40/63/355564063.db2.gz QLQVPDWGWPJINY-YPMHNXCESA-N 1 3 317.355 2.409 20 0 DEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCOc1ncccc1C(F)(F)F ZINC000090605848 355564067 /nfs/dbraw/zinc/56/40/67/355564067.db2.gz QLQVPDWGWPJINY-YPMHNXCESA-N 1 3 317.355 2.409 20 0 DEADHO CN1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000370488870 283124665 /nfs/dbraw/zinc/12/46/65/283124665.db2.gz VAMNESSWYJMMKZ-DLBZAZTESA-N 1 3 307.482 2.338 20 0 DEADHO CN1CCCC[C@H]1CC[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000370488870 283124667 /nfs/dbraw/zinc/12/46/67/283124667.db2.gz VAMNESSWYJMMKZ-DLBZAZTESA-N 1 3 307.482 2.338 20 0 DEADHO CC[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000130306665 355840992 /nfs/dbraw/zinc/84/09/92/355840992.db2.gz XNTNAAQDQGAOLD-RHSMWYFYSA-N 1 3 303.450 2.415 20 0 DEADHO CC[C@@H](N)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000130306665 355840995 /nfs/dbraw/zinc/84/09/95/355840995.db2.gz XNTNAAQDQGAOLD-RHSMWYFYSA-N 1 3 303.450 2.415 20 0 DEADHO CC(C)[NH2+]CCC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000168999345 355978994 /nfs/dbraw/zinc/97/89/94/355978994.db2.gz SRKMIMIMENWTFV-KRWDZBQOSA-N 1 3 303.450 2.155 20 0 DEADHO C[NH+](C)Cc1ccc(CN[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000182233210 356115422 /nfs/dbraw/zinc/11/54/22/356115422.db2.gz CNWPWMLKLHQLFB-DLBZAZTESA-N 1 3 324.490 2.194 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000181831184 356096895 /nfs/dbraw/zinc/09/68/95/356096895.db2.gz UAUILNXHURYLMN-CVEARBPZSA-N 1 3 310.486 2.034 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000236825555 356291938 /nfs/dbraw/zinc/29/19/38/356291938.db2.gz OHYXFLFNTHNXLD-DLBZAZTESA-N 1 3 303.450 2.457 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N(C)CC1CCN(C)CC1 ZINC000358443924 535303484 /nfs/dbraw/zinc/30/34/84/535303484.db2.gz VJPLEWBVRGLONE-OAHLLOKOSA-N 1 3 312.502 2.090 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(C)CC1CCN(C)CC1 ZINC000358443924 535303486 /nfs/dbraw/zinc/30/34/86/535303486.db2.gz VJPLEWBVRGLONE-OAHLLOKOSA-N 1 3 312.502 2.090 20 0 DEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(CN(C)C)c1 ZINC000081444516 192268098 /nfs/dbraw/zinc/26/80/98/192268098.db2.gz PARODEPJMSWZJP-PBHICJAKSA-N 1 3 303.450 2.160 20 0 DEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(CN(C)C)c1 ZINC000081444516 192268099 /nfs/dbraw/zinc/26/80/99/192268099.db2.gz PARODEPJMSWZJP-PBHICJAKSA-N 1 3 303.450 2.160 20 0 DEADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)CN(C)C ZINC000381886101 356672908 /nfs/dbraw/zinc/67/29/08/356672908.db2.gz QFRVBVRHAOYQPA-QLFBSQMISA-N 1 3 313.486 2.467 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCCN(C)Cc1ccccc1 ZINC000384496717 356684230 /nfs/dbraw/zinc/68/42/30/356684230.db2.gz VYUWSAPBTZHVRL-DOTOQJQBSA-N 1 3 303.450 2.013 20 0 DEADHO CN(C)CCN(CCCc1ccccc1)C(=O)C1CC[NH2+]CC1 ZINC000237150906 202168171 /nfs/dbraw/zinc/16/81/71/202168171.db2.gz YGRCFJHNZVZNHV-UHFFFAOYSA-N 1 3 317.477 2.009 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](C)[C@H]3C)CC2)CC1 ZINC000578377351 356806349 /nfs/dbraw/zinc/80/63/49/356806349.db2.gz MLKCEFCYYXBZIQ-JKSUJKDBSA-N 1 3 321.509 2.440 20 0 DEADHO Cc1ccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c(OCCN(C)C)c1 ZINC000237183309 202178573 /nfs/dbraw/zinc/17/85/73/202178573.db2.gz SWJGAGHPZOXBJJ-ZIAGYGMSSA-N 1 3 305.422 2.001 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000579731487 357025046 /nfs/dbraw/zinc/02/50/46/357025046.db2.gz ZZCAXJVUHGPYJD-WMZOPIPTSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000579731487 357025053 /nfs/dbraw/zinc/02/50/53/357025053.db2.gz ZZCAXJVUHGPYJD-WMZOPIPTSA-N 1 3 315.461 2.061 20 0 DEADHO C[N@H+](CCCCNCc1cnc(N2CCCC2)nc1)C1CC1 ZINC000580756418 357075840 /nfs/dbraw/zinc/07/58/40/357075840.db2.gz KBYZGKQIHQCDDO-UHFFFAOYSA-N 1 3 303.454 2.041 20 0 DEADHO C[N@@H+](CCCCNCc1cnc(N2CCCC2)nc1)C1CC1 ZINC000580756418 357075845 /nfs/dbraw/zinc/07/58/45/357075845.db2.gz KBYZGKQIHQCDDO-UHFFFAOYSA-N 1 3 303.454 2.041 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CNCc2ccccc21 ZINC000584837986 357319389 /nfs/dbraw/zinc/31/93/89/357319389.db2.gz QABJPAIANVQLKN-WMLDXEAASA-N 1 3 303.450 2.110 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CNCc2ccccc21 ZINC000584837986 357319390 /nfs/dbraw/zinc/31/93/90/357319390.db2.gz QABJPAIANVQLKN-WMLDXEAASA-N 1 3 303.450 2.110 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000591447511 357725584 /nfs/dbraw/zinc/72/55/84/357725584.db2.gz OMJHUOIVVXQZNO-MSOLQXFVSA-N 1 3 315.461 2.109 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000591447511 357725590 /nfs/dbraw/zinc/72/55/90/357725590.db2.gz OMJHUOIVVXQZNO-MSOLQXFVSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@@H](N)C[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000591580594 357737994 /nfs/dbraw/zinc/73/79/94/357737994.db2.gz AJYNTQOBYQOSOI-BDAKNGLRSA-N 1 3 304.175 2.289 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000591865247 357769926 /nfs/dbraw/zinc/76/99/26/357769926.db2.gz OAYDNOXBPIPFDK-QZTJIDSGSA-N 1 3 315.461 2.282 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000591865247 357769932 /nfs/dbraw/zinc/76/99/32/357769932.db2.gz OAYDNOXBPIPFDK-QZTJIDSGSA-N 1 3 315.461 2.282 20 0 DEADHO CCCN(C(=O)N[C@H]1CCCN2CCCC[C@@H]12)C1CC[NH2+]CC1 ZINC000655974249 540297557 /nfs/dbraw/zinc/29/75/57/540297557.db2.gz OHDSAJZSURBQNG-IRXDYDNUSA-N 1 3 322.497 2.177 20 0 DEADHO CCCN1CC[C@H](NC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000661954409 540324348 /nfs/dbraw/zinc/32/43/48/540324348.db2.gz WMJYCNORALIOBY-SJORKVTESA-N 1 3 324.513 2.138 20 0 DEADHO CCCN1CC[C@H](NC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000661954409 540324351 /nfs/dbraw/zinc/32/43/51/540324351.db2.gz WMJYCNORALIOBY-SJORKVTESA-N 1 3 324.513 2.138 20 0 DEADHO FC(F)(F)CN1CCC([NH2+][C@@H]2CCNC3(CCC3)C2)CC1 ZINC000666995702 540377396 /nfs/dbraw/zinc/37/73/96/540377396.db2.gz WWYNLABQZUHCGD-CYBMUJFWSA-N 1 3 305.388 2.277 20 0 DEADHO FC(F)(F)CN1CCC(N[C@@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC000666995702 540377398 /nfs/dbraw/zinc/37/73/98/540377398.db2.gz WWYNLABQZUHCGD-CYBMUJFWSA-N 1 3 305.388 2.277 20 0 DEADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000495872040 283342443 /nfs/dbraw/zinc/34/24/43/283342443.db2.gz XMWSFRKCPQKCMK-OAGGEKHMSA-N 1 3 323.481 2.412 20 0 DEADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000495872040 283342448 /nfs/dbraw/zinc/34/24/48/283342448.db2.gz XMWSFRKCPQKCMK-OAGGEKHMSA-N 1 3 323.481 2.412 20 0 DEADHO CCOC(=O)c1[nH]c(C)c(C[NH2+]CC(C)(C)CN(C)C)c1C ZINC000598955947 359366964 /nfs/dbraw/zinc/36/69/64/359366964.db2.gz RATCESAVQRXRTF-UHFFFAOYSA-N 1 3 309.454 2.486 20 0 DEADHO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc3c2CCNC3)CC[N@@H+]1C ZINC000667753098 540520989 /nfs/dbraw/zinc/52/09/89/540520989.db2.gz HMTWWTMVVQJOKK-ZFWWWQNUSA-N 1 3 316.449 2.279 20 0 DEADHO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc3c2CCNC3)CC[N@H+]1C ZINC000667753098 540520992 /nfs/dbraw/zinc/52/09/92/540520992.db2.gz HMTWWTMVVQJOKK-ZFWWWQNUSA-N 1 3 316.449 2.279 20 0 DEADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc2c(c1)CNC2 ZINC000667854257 540540265 /nfs/dbraw/zinc/54/02/65/540540265.db2.gz CVLHTLOMCPGBNA-HNNXBMFYSA-N 1 3 302.422 2.286 20 0 DEADHO CN1CCC(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)(N2CCCCC2)CC1 ZINC000667880668 540544200 /nfs/dbraw/zinc/54/42/00/540544200.db2.gz XUOZQUWYIYPWDX-QZTJIDSGSA-N 1 3 321.509 2.094 20 0 DEADHO C[C@H](Cc1ccccc1F)[NH2+]CCCN1CCCN(C)CC1 ZINC000187968121 200184299 /nfs/dbraw/zinc/18/42/99/200184299.db2.gz KYUARYVFIPZYQL-MRXNPFEDSA-N 1 3 307.457 2.374 20 0 DEADHO C[C@]1(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CCCC[NH2+]1 ZINC000237565955 202285992 /nfs/dbraw/zinc/28/59/92/202285992.db2.gz QGRSRGVHFQHVJK-IEBWSBKVSA-N 1 3 315.461 2.299 20 0 DEADHO C[C@@]1(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CCCC[NH2+]1 ZINC000237586194 202292857 /nfs/dbraw/zinc/29/28/57/202292857.db2.gz QGRSRGVHFQHVJK-HKUYNNGSSA-N 1 3 315.461 2.299 20 0 DEADHO C[C@@]1(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CC[NH2+]C1 ZINC000237586838 202293540 /nfs/dbraw/zinc/29/35/40/202293540.db2.gz FLWUKSOMTDSMQY-WMLDXEAASA-N 1 3 321.490 2.076 20 0 DEADHO [NH3+][C@H](CC(=O)N1CCN(C2CCCC2)CC1)c1ccccc1 ZINC000237839279 202368232 /nfs/dbraw/zinc/36/82/32/202368232.db2.gz NGNCLKJFCBTDGT-QGZVFWFLSA-N 1 3 301.434 2.163 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)cc1 ZINC000668594392 540695239 /nfs/dbraw/zinc/69/52/39/540695239.db2.gz BXENVMAPJKVASX-SJLPKXTDSA-N 1 3 304.434 2.095 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)cc1 ZINC000668594392 540695242 /nfs/dbraw/zinc/69/52/42/540695242.db2.gz BXENVMAPJKVASX-SJLPKXTDSA-N 1 3 304.434 2.095 20 0 DEADHO CCN(C)C(=O)[C@H](C)N[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000189412977 200397183 /nfs/dbraw/zinc/39/71/83/200397183.db2.gz LXBZEKWDQFPPCL-CABCVRRESA-N 1 3 321.465 2.144 20 0 DEADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCC(=O)NCc1ccccc1Cl ZINC000442752980 238071152 /nfs/dbraw/zinc/07/11/52/238071152.db2.gz FSQNRINXSNPBBV-OLZOCXBDSA-N 1 3 309.841 2.015 20 0 DEADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCC(=O)NCc1ccccc1Cl ZINC000442752980 238071153 /nfs/dbraw/zinc/07/11/53/238071153.db2.gz FSQNRINXSNPBBV-OLZOCXBDSA-N 1 3 309.841 2.015 20 0 DEADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCC(=O)NCc1ccccc1Cl ZINC000442752980 238071154 /nfs/dbraw/zinc/07/11/54/238071154.db2.gz FSQNRINXSNPBBV-OLZOCXBDSA-N 1 3 309.841 2.015 20 0 DEADHO CN(C)CCN1CCC([NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000442718555 238066845 /nfs/dbraw/zinc/06/68/45/238066845.db2.gz PEHGUBHCTNKZHD-UHFFFAOYSA-N 1 3 303.441 2.426 20 0 DEADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000442792823 238077632 /nfs/dbraw/zinc/07/76/32/238077632.db2.gz RAUHEKPMRDUXFM-RVKKMQEKSA-N 1 3 315.461 2.239 20 0 DEADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000442792823 238077635 /nfs/dbraw/zinc/07/76/35/238077635.db2.gz RAUHEKPMRDUXFM-RVKKMQEKSA-N 1 3 315.461 2.239 20 0 DEADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000442792823 238077639 /nfs/dbraw/zinc/07/76/39/238077639.db2.gz RAUHEKPMRDUXFM-RVKKMQEKSA-N 1 3 315.461 2.239 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)C1CC[NH+](C)CC1)N1CCCCC1 ZINC000603315812 360789677 /nfs/dbraw/zinc/78/96/77/360789677.db2.gz BMVAIOWDUPAHHI-RDJZCZTQSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H]1CN(C(=O)NCc2cccc(CN(C)C)c2)CC[C@@H]1[NH3+] ZINC000669386820 540823406 /nfs/dbraw/zinc/82/34/06/540823406.db2.gz XYQYUKOUWHEPOW-SJORKVTESA-N 1 3 318.465 2.017 20 0 DEADHO CC(C)[C@H]1CN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CCN1 ZINC000669514866 540849682 /nfs/dbraw/zinc/84/96/82/540849682.db2.gz NSSCFJIUYWDRGL-CVEARBPZSA-N 1 3 303.450 2.169 20 0 DEADHO CN(CC(=O)NC1CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000608500787 361228147 /nfs/dbraw/zinc/22/81/47/361228147.db2.gz IUGKPPVPSDTZDW-UHFFFAOYSA-N 1 3 315.461 2.252 20 0 DEADHO CCN(CC)[C@H](CNC(=O)C[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000194009680 201161632 /nfs/dbraw/zinc/16/16/32/201161632.db2.gz ZNJXYOFXFNGFEK-DLBZAZTESA-N 1 3 303.450 2.328 20 0 DEADHO CN(C)CCNC(=O)c1cccc(C[NH2+]C2CC3(CCC3)C2)c1 ZINC000448063886 239242308 /nfs/dbraw/zinc/24/23/08/239242308.db2.gz CJVPULDFGUAGMU-UHFFFAOYSA-N 1 3 315.461 2.400 20 0 DEADHO CC[C@@H](CN1CCCC1)NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000675194523 541300456 /nfs/dbraw/zinc/30/04/56/541300456.db2.gz SENLRZCZVIBHOE-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO CC[C@@H](CN1CCCC1)NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000675194523 541300459 /nfs/dbraw/zinc/30/04/59/541300459.db2.gz SENLRZCZVIBHOE-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N(CCN(C)C)C1CCCC1 ZINC000675194473 541300383 /nfs/dbraw/zinc/30/03/83/541300383.db2.gz RSDQBNFAUGDHIO-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H](NC(=O)N1CCC(C[NH3+])CC1)[C@H](c1ccccc1)N(C)C ZINC000418174552 296058488 /nfs/dbraw/zinc/05/84/88/296058488.db2.gz FGDWNRHLPYVJHV-RHSMWYFYSA-N 1 3 318.465 2.058 20 0 DEADHO C[C@@H]([NH2+]CC12CC(C1)CO2)c1ccc(OCCN(C)C)cc1 ZINC000527977664 283769943 /nfs/dbraw/zinc/76/99/43/283769943.db2.gz AMQMEJAZGNZADR-KSTDHSDQSA-N 1 3 304.434 2.457 20 0 DEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H](C)NC2CC2)CC1 ZINC000449095317 240048162 /nfs/dbraw/zinc/04/81/62/240048162.db2.gz XSDSBCCJMSSUEW-OAHLLOKOSA-N 1 3 315.461 2.216 20 0 DEADHO C[C@H](NC1CC1)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000449122932 240084879 /nfs/dbraw/zinc/08/48/79/240084879.db2.gz BBIIGFTZDLKBDC-JYJNAYRXSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H](NC1CC1)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000449122932 240084883 /nfs/dbraw/zinc/08/48/83/240084883.db2.gz BBIIGFTZDLKBDC-JYJNAYRXSA-N 1 3 307.482 2.240 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000623209600 364920516 /nfs/dbraw/zinc/92/05/16/364920516.db2.gz YFJCWSXUPPDIFY-QGZVFWFLSA-N 1 3 307.482 2.195 20 0 DEADHO O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCC[C@@H]1CN1CCCCC1 ZINC000353526802 296073095 /nfs/dbraw/zinc/07/30/95/296073095.db2.gz SLVQPDZXXRXNLI-FGTMMUONSA-N 1 3 319.493 2.099 20 0 DEADHO COc1cc(CNCCOCC[NH+](C)C)cc(C(F)(F)F)c1 ZINC000623494514 365050493 /nfs/dbraw/zinc/05/04/93/365050493.db2.gz SKXHDSHIIQOIJO-UHFFFAOYSA-N 1 3 320.355 2.382 20 0 DEADHO C[N@@H+]1CCCN(CCCN[C@H]2CCCc3scnc32)CC1 ZINC000623888359 365212152 /nfs/dbraw/zinc/21/21/52/365212152.db2.gz CTBGQDYLMWQKRB-AWEZNQCLSA-N 1 3 308.495 2.138 20 0 DEADHO C[N@H+]1CCCN(CCCN[C@H]2CCCc3scnc32)CC1 ZINC000623888359 365212156 /nfs/dbraw/zinc/21/21/56/365212156.db2.gz CTBGQDYLMWQKRB-AWEZNQCLSA-N 1 3 308.495 2.138 20 0 DEADHO CN1CCCC[C@@H](C[NH2+]C2CCN(Cc3ccncc3)CC2)C1 ZINC000624121260 365296750 /nfs/dbraw/zinc/29/67/50/365296750.db2.gz RTMSNWYMZAAAKB-SFHVURJKSA-N 1 3 316.493 2.368 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2C[C@@H](C)C[C@H](O)C2)CC1 ZINC000449770575 241062048 /nfs/dbraw/zinc/06/20/48/241062048.db2.gz WZZIPVDCAYNNQE-WMZOPIPTSA-N 1 3 317.477 2.031 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2C[C@@H](C)C[C@H](O)C2)CC1 ZINC000449770575 241062059 /nfs/dbraw/zinc/06/20/59/241062059.db2.gz WZZIPVDCAYNNQE-WMZOPIPTSA-N 1 3 317.477 2.031 20 0 DEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H](O)COCc1ccccc1 ZINC000629555494 367247369 /nfs/dbraw/zinc/24/73/69/367247369.db2.gz VMKOAJWYUZQRNB-KSZLIROESA-N 1 3 306.450 2.061 20 0 DEADHO Cc1nccn1CCCN1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629562518 367252564 /nfs/dbraw/zinc/25/25/64/367252564.db2.gz NTHOYFXPRMVSNK-OLZOCXBDSA-N 1 3 304.360 2.041 20 0 DEADHO CC[C@H](C[NH2+]C[C@@H](O)CN1CCCC1)Oc1cccc(F)c1 ZINC000629562620 367253694 /nfs/dbraw/zinc/25/36/94/367253694.db2.gz DSLPTSCPRAFNSG-HZPDHXFCSA-N 1 3 310.413 2.029 20 0 DEADHO COc1ccc2c(c1)CC[C@H]2[NH2+]C1CCN(CCN(C)C)CC1 ZINC000631566335 368289925 /nfs/dbraw/zinc/28/99/25/368289925.db2.gz OWBXDSKLQQQECR-LJQANCHMSA-N 1 3 317.477 2.298 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)C[C@@H](C)O1 ZINC000631597898 368304045 /nfs/dbraw/zinc/30/40/45/368304045.db2.gz WJNAAGUFLFJPPL-ZBRFXRBCSA-N 1 3 322.493 2.423 20 0 DEADHO CCO[C@@H]1CC[N@H+](CCCN2CCN(C(C)C)CC2)C[C@@H]1C ZINC000451548260 243096652 /nfs/dbraw/zinc/09/66/52/243096652.db2.gz UYMFGHSLPRRBPW-ZWKOTPCHSA-N 1 3 311.514 2.149 20 0 DEADHO CCO[C@@H]1CC[N@@H+](CCCN2CCN(C(C)C)CC2)C[C@@H]1C ZINC000451548260 243096657 /nfs/dbraw/zinc/09/66/57/243096657.db2.gz UYMFGHSLPRRBPW-ZWKOTPCHSA-N 1 3 311.514 2.149 20 0 DEADHO C[C@@H](NCCN1CC[NH2+]CC1)c1ccccc1OC(F)(F)F ZINC000423208617 296125415 /nfs/dbraw/zinc/12/54/15/296125415.db2.gz TYHVEWYFCBDEQT-GFCCVEGCSA-N 1 3 317.355 2.141 20 0 DEADHO CC(C)[C@@H](N)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000261832039 203127343 /nfs/dbraw/zinc/12/73/43/203127343.db2.gz BTMXQXYOPQMPMT-QGZVFWFLSA-N 1 3 303.450 2.272 20 0 DEADHO C[C@@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)[C@H](C[NH3+])C1 ZINC000261877095 203140771 /nfs/dbraw/zinc/14/07/71/203140771.db2.gz SYOFMKVDEAAMPG-QAPCUYQASA-N 1 3 315.461 2.482 20 0 DEADHO C[C@H]1C[C@@H](C(=O)NCCCN(C)Cc2ccccc2)CC[NH2+]1 ZINC000262355262 203272071 /nfs/dbraw/zinc/27/20/71/203272071.db2.gz HXLWDOOXHWMDLY-RDJZCZTQSA-N 1 3 303.450 2.013 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H](N)c1ccccc1 ZINC000262682940 203380801 /nfs/dbraw/zinc/38/08/01/203380801.db2.gz YWYYBWAPXBRTSU-SVGFKBNWSA-N 1 3 303.450 2.312 20 0 DEADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001088860696 781960867 /nfs/dbraw/zinc/96/08/67/781960867.db2.gz XUCHNMDUVMPZST-KEYYUXOJSA-N 1 3 313.461 2.188 20 0 DEADHO CCC[N@H+]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001088860696 781960873 /nfs/dbraw/zinc/96/08/73/781960873.db2.gz XUCHNMDUVMPZST-KEYYUXOJSA-N 1 3 313.461 2.188 20 0 DEADHO CN1CCC(C[NH2+]Cc2ccc(O)cc2)(N2CCCCC2)CC1 ZINC000679394954 541850173 /nfs/dbraw/zinc/85/01/73/541850173.db2.gz RDBKEZZVIIHFKH-UHFFFAOYSA-N 1 3 317.477 2.432 20 0 DEADHO CC(C)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCCCC1 ZINC000456316127 247082467 /nfs/dbraw/zinc/08/24/67/247082467.db2.gz FJHFZMULPBURDF-HMQMGEFJSA-N 1 3 307.482 2.238 20 0 DEADHO CC(C)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCCCC1 ZINC000456316127 247082474 /nfs/dbraw/zinc/08/24/74/247082474.db2.gz FJHFZMULPBURDF-HMQMGEFJSA-N 1 3 307.482 2.238 20 0 DEADHO CC[C@H](C)[N@H+](C)CCNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000268016186 206396898 /nfs/dbraw/zinc/39/68/98/206396898.db2.gz UBHWWXNRRCADFJ-HNNXBMFYSA-N 1 3 324.469 2.083 20 0 DEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000268016186 206396902 /nfs/dbraw/zinc/39/69/02/206396902.db2.gz UBHWWXNRRCADFJ-HNNXBMFYSA-N 1 3 324.469 2.083 20 0 DEADHO CC(C)N1CC[C@@H](N(C)C(=O)NC[C@H](C)C[NH+]2CCCCC2)C1 ZINC000457900205 248065830 /nfs/dbraw/zinc/06/58/30/248065830.db2.gz CBNWSXNCVSKGCG-DLBZAZTESA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)CN1C1CC1 ZINC000458505948 248349010 /nfs/dbraw/zinc/34/90/10/248349010.db2.gz GCHXIJAMTHMGRV-ZIAGYGMSSA-N 1 3 310.486 2.031 20 0 DEADHO C[C@H](NC(=O)c1ccccc1CN(C)C)C1=CC[N@H+](C)CC1 ZINC000487049220 248744065 /nfs/dbraw/zinc/74/40/65/248744065.db2.gz VKMXSBYKQBBVLU-AWEZNQCLSA-N 1 3 301.434 2.128 20 0 DEADHO C[C@H](NC(=O)c1ccccc1CN(C)C)C1=CC[N@@H+](C)CC1 ZINC000487049220 248744067 /nfs/dbraw/zinc/74/40/67/248744067.db2.gz VKMXSBYKQBBVLU-AWEZNQCLSA-N 1 3 301.434 2.128 20 0 DEADHO C[NH+](C)CCOc1ccc(CN2CC[C@H](O)C(C)(C)C2)cc1 ZINC000682168888 542274255 /nfs/dbraw/zinc/27/42/55/542274255.db2.gz JOVVBFPHJQSPLW-KRWDZBQOSA-N 1 3 306.450 2.220 20 0 DEADHO C[C@@H](c1cccc(Cl)c1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178504 184276680 /nfs/dbraw/zinc/27/66/80/184276680.db2.gz DYJVGYAGGBNRSK-JSGCOSHPSA-N 1 3 309.841 2.188 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(CN(C)C)cc2)C1 ZINC000119796372 195038039 /nfs/dbraw/zinc/03/80/39/195038039.db2.gz AYZXBXRCQVLGOP-QGZVFWFLSA-N 1 3 317.477 2.456 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc(CN(C)C)cc2)C1 ZINC000119796372 195038040 /nfs/dbraw/zinc/03/80/40/195038040.db2.gz AYZXBXRCQVLGOP-QGZVFWFLSA-N 1 3 317.477 2.456 20 0 DEADHO CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCCN(C)C1=O ZINC000538707108 285051062 /nfs/dbraw/zinc/05/10/62/285051062.db2.gz WPTFTWQILBTRKR-QGZVFWFLSA-N 1 3 303.450 2.239 20 0 DEADHO CCO[C@H]1C[C@@H]([NH2+]CCCCN2CCN(C)CC2)C12CCCC2 ZINC000539500015 285079033 /nfs/dbraw/zinc/07/90/33/285079033.db2.gz XAPUVBQTDFKDAO-MSOLQXFVSA-N 1 3 323.525 2.341 20 0 DEADHO CSc1ccccc1NC(=O)CCN1C[C@H](C[NH3+])C[C@@H]1C ZINC000442764018 533045869 /nfs/dbraw/zinc/04/58/69/533045869.db2.gz STRLFPNAMAKODF-STQMWFEESA-N 1 3 307.463 2.406 20 0 DEADHO CN1CCC[C@@H]2C[N@H+](Cc3cc4ccccc4[nH]c3=O)CC[C@@H]21 ZINC000158833005 197304307 /nfs/dbraw/zinc/30/43/07/197304307.db2.gz AZUZUBOHKMQSDS-QAPCUYQASA-N 1 3 311.429 2.444 20 0 DEADHO CN1CCC[C@@H]2C[N@@H+](Cc3cc4ccccc4[nH]c3=O)CC[C@@H]21 ZINC000158833005 197304310 /nfs/dbraw/zinc/30/43/10/197304310.db2.gz AZUZUBOHKMQSDS-QAPCUYQASA-N 1 3 311.429 2.444 20 0 DEADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H](N)CCSC ZINC000157279071 197176303 /nfs/dbraw/zinc/17/63/03/197176303.db2.gz VIYNUKHEQUABLU-INIZCTEOSA-N 1 3 323.506 2.177 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000245879662 285202052 /nfs/dbraw/zinc/20/20/52/285202052.db2.gz ADMXHCXUDQVANE-DLBZAZTESA-N 1 3 303.450 2.280 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420792937 285204105 /nfs/dbraw/zinc/20/41/05/285204105.db2.gz QCXPJMYWABITJA-GPANFISMSA-N 1 3 310.486 2.033 20 0 DEADHO Cc1cnccc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000294688893 224168295 /nfs/dbraw/zinc/16/82/95/224168295.db2.gz DOEVEZMNCIMQSZ-UHFFFAOYSA-N 1 3 303.450 2.467 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cncc(OC)c2)[C@@H](C)C1 ZINC000289625440 221111178 /nfs/dbraw/zinc/11/11/78/221111178.db2.gz BHXKRLFTYDRNIH-MAUKXSAKSA-N 1 3 321.465 2.317 20 0 DEADHO OC[C@]1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H]1c1ccccc1 ZINC000289677805 221148810 /nfs/dbraw/zinc/14/88/10/221148810.db2.gz HOBKNDKIPXWCOR-NCXUSEDFSA-N 1 3 300.446 2.369 20 0 DEADHO OC[C@]1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H]1c1ccccc1 ZINC000289677805 221148813 /nfs/dbraw/zinc/14/88/13/221148813.db2.gz HOBKNDKIPXWCOR-NCXUSEDFSA-N 1 3 300.446 2.369 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000289851094 221267917 /nfs/dbraw/zinc/26/79/17/221267917.db2.gz CEHHTKVVOVLAHS-KSZLIROESA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H]([NH2+]Cc1cccc(CN(C)C)c1)C(C)(C)n1cncn1 ZINC000289929837 221323116 /nfs/dbraw/zinc/32/31/16/221323116.db2.gz VOSCTEUGQJCINX-CQSZACIVSA-N 1 3 301.438 2.253 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CN1Cc1ccccc1 ZINC000290036597 221393536 /nfs/dbraw/zinc/39/35/36/221393536.db2.gz ULWRHBFGVSONDE-JOCBIADPSA-N 1 3 315.461 2.154 20 0 DEADHO C[C@@H](Cc1ccsc1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000560973736 291949890 /nfs/dbraw/zinc/94/98/90/291949890.db2.gz JOGCQDREIHTABO-WCQYABFASA-N 1 3 321.412 2.105 20 0 DEADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000121167285 195302163 /nfs/dbraw/zinc/30/21/63/195302163.db2.gz DEZMGYSJDAVYJV-HNNXBMFYSA-N 1 3 314.518 2.192 20 0 DEADHO C[C@@H](C(=O)NCCC[NH+]1CCC(C)CC1)N1[C@@H](C)CC[C@@H]1C ZINC000121990224 195386628 /nfs/dbraw/zinc/38/66/28/195386628.db2.gz JUWJQHKXYVOCCO-ULQDDVLXSA-N 1 3 309.498 2.486 20 0 DEADHO COC(=O)CC1CC([NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000424303544 533324200 /nfs/dbraw/zinc/32/42/00/533324200.db2.gz OEAQGYJRQYWTEN-UHFFFAOYSA-N 1 3 317.433 2.229 20 0 DEADHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1cnccc1N ZINC000422904894 533448159 /nfs/dbraw/zinc/44/81/59/533448159.db2.gz YHBFOZBLNOOWPM-CQSZACIVSA-N 1 3 314.433 2.285 20 0 DEADHO COC(=O)CCNC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000411529918 533439844 /nfs/dbraw/zinc/43/98/44/533439844.db2.gz IUDAZCNBXKQDQK-HUUCEWRRSA-N 1 3 304.434 2.296 20 0 DEADHO COc1cccc(N2CC[C@@H]([NH2+][C@@H](C)[C@H]3CCCCN3)C2)c1 ZINC000422701476 533583500 /nfs/dbraw/zinc/58/35/00/533583500.db2.gz BZSDGDTUXJFEPO-HDMKZQKVSA-N 1 3 303.450 2.394 20 0 DEADHO CO[C@@H]1CCC[C@H]([NH2+]C2CCN(C3CCN(C)CC3)CC2)C1 ZINC000684374251 542595733 /nfs/dbraw/zinc/59/57/33/542595733.db2.gz MFCPKTKKTFSIBI-FUHWJXTLSA-N 1 3 309.498 2.092 20 0 DEADHO CO[C@H]1CCC[C@H]([NH2+]C2CCN(C3CCN(C)CC3)CC2)C1 ZINC000684374253 542596016 /nfs/dbraw/zinc/59/60/16/542596016.db2.gz MFCPKTKKTFSIBI-WMZOPIPTSA-N 1 3 309.498 2.092 20 0 DEADHO CC(C)[C@@H](O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000340280963 131325136 /nfs/dbraw/zinc/32/51/36/131325136.db2.gz VRWTZGPWGHMXAX-NUJGCVRESA-N 1 3 312.498 2.215 20 0 DEADHO C[C@@H](CN(C)C)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000353941767 133012527 /nfs/dbraw/zinc/01/25/27/133012527.db2.gz CSKOLCLMDKBNQK-AWEZNQCLSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000355413201 133025007 /nfs/dbraw/zinc/02/50/07/133025007.db2.gz PULNCPXEINKIQH-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000355412330 133025279 /nfs/dbraw/zinc/02/52/79/133025279.db2.gz PKMFWLPKQLOUJR-HZPDHXFCSA-N 1 3 307.482 2.336 20 0 DEADHO C[C@@H](NC(=O)NCCC[N@@H+]1CCCC[C@H]1C)C1=CCN(C)CC1 ZINC000357819359 133102647 /nfs/dbraw/zinc/10/26/47/133102647.db2.gz WDSLUWQMEDEOHE-HZPDHXFCSA-N 1 3 322.497 2.201 20 0 DEADHO C[C@@H](NC(=O)NCCC[N@H+]1CCCC[C@H]1C)C1=CCN(C)CC1 ZINC000357819359 133102648 /nfs/dbraw/zinc/10/26/48/133102648.db2.gz WDSLUWQMEDEOHE-HZPDHXFCSA-N 1 3 322.497 2.201 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000357886142 133107466 /nfs/dbraw/zinc/10/74/66/133107466.db2.gz RJVWATFPDKVGQU-ZNMIVQPWSA-N 1 3 310.486 2.031 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000357886142 133107467 /nfs/dbraw/zinc/10/74/67/133107467.db2.gz RJVWATFPDKVGQU-ZNMIVQPWSA-N 1 3 310.486 2.031 20 0 DEADHO C[C@@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)C1=CCN(C)CC1 ZINC000358094916 133120828 /nfs/dbraw/zinc/12/08/28/133120828.db2.gz CTDYRBMNFUJZKB-OAHLLOKOSA-N 1 3 322.497 2.010 20 0 DEADHO COc1ccc(CNC[C@@]2(O)CC[N@H+](C)C2)c2ccccc12 ZINC000358127893 133122919 /nfs/dbraw/zinc/12/29/19/133122919.db2.gz CLRMTOHETCUOHW-SFHVURJKSA-N 1 3 300.402 2.005 20 0 DEADHO COc1ccc(CNC[C@@]2(O)CC[N@@H+](C)C2)c2ccccc12 ZINC000358127893 133122920 /nfs/dbraw/zinc/12/29/20/133122920.db2.gz CLRMTOHETCUOHW-SFHVURJKSA-N 1 3 300.402 2.005 20 0 DEADHO N[C@H]1CCCCC[C@@H]1[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000562958600 292019679 /nfs/dbraw/zinc/01/96/79/292019679.db2.gz BBSPPOATSFEMFH-ROUUACIJSA-N 1 3 302.466 2.296 20 0 DEADHO [NH3+][C@H]1CCCCC[C@@H]1NC1CCN(Cc2ccccn2)CC1 ZINC000562958600 292019680 /nfs/dbraw/zinc/01/96/80/292019680.db2.gz BBSPPOATSFEMFH-ROUUACIJSA-N 1 3 302.466 2.296 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000362606462 133241620 /nfs/dbraw/zinc/24/16/20/133241620.db2.gz OSUASKYAAJEEQL-FZCLSBEQSA-N 1 3 315.461 2.136 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000362606462 133241621 /nfs/dbraw/zinc/24/16/21/133241621.db2.gz OSUASKYAAJEEQL-FZCLSBEQSA-N 1 3 315.461 2.136 20 0 DEADHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000362892005 133257255 /nfs/dbraw/zinc/25/72/55/133257255.db2.gz CWTKASVASSFBPH-RHSMWYFYSA-N 1 3 303.450 2.207 20 0 DEADHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000362892005 133257256 /nfs/dbraw/zinc/25/72/56/133257256.db2.gz CWTKASVASSFBPH-RHSMWYFYSA-N 1 3 303.450 2.207 20 0 DEADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc(CN(C)C)c1 ZINC000376394149 133292828 /nfs/dbraw/zinc/29/28/28/133292828.db2.gz FTMJDBAUSBVYMB-MAUKXSAKSA-N 1 3 315.461 2.447 20 0 DEADHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000377922572 133350932 /nfs/dbraw/zinc/35/09/32/133350932.db2.gz QWGOTMPCPNQETR-CPUCHLNUSA-N 1 3 313.461 2.044 20 0 DEADHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000377922572 133350933 /nfs/dbraw/zinc/35/09/33/133350933.db2.gz QWGOTMPCPNQETR-CPUCHLNUSA-N 1 3 313.461 2.044 20 0 DEADHO CC[NH2+]CC1CCN(C(=O)[C@@H](C)[C@H](N)c2ccccc2)CC1 ZINC000237019607 285585190 /nfs/dbraw/zinc/58/51/90/285585190.db2.gz STJUWJHHCNPYTN-YOEHRIQHSA-N 1 3 303.450 2.171 20 0 DEADHO C[NH+](C)CCc1ccc(C(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000563375425 292051053 /nfs/dbraw/zinc/05/10/53/292051053.db2.gz GQHXKSBCLJLKGY-GOSISDBHSA-N 1 3 315.461 2.101 20 0 DEADHO CN(CCC[NH3+])C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000563561558 292063012 /nfs/dbraw/zinc/06/30/12/292063012.db2.gz NZKDJFDKSJHPQJ-QGZVFWFLSA-N 1 3 318.465 2.031 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CCN1C ZINC000564466686 292096667 /nfs/dbraw/zinc/09/66/67/292096667.db2.gz SXHVYCHVECAYNU-YOEHRIQHSA-N 1 3 303.450 2.003 20 0 DEADHO CN1CCC[C@@H](CNC(=O)CC(C)(C)[NH3+])[C@H]1c1cccs1 ZINC000372105983 404485187 /nfs/dbraw/zinc/48/51/87/404485187.db2.gz TXOMLFAAWDOXPU-WFASDCNBSA-N 1 3 309.479 2.375 20 0 DEADHO CCNC(=O)c1cccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)c1 ZINC000247034670 145124238 /nfs/dbraw/zinc/12/42/38/145124238.db2.gz NUVYIHCEZLWFOH-CKEIUWERSA-N 1 3 303.450 2.255 20 0 DEADHO OCC[C@@H]1CCCCN1C/C=C/C[N@@H+]1CCCC[C@H]1CCO ZINC000247704677 145143834 /nfs/dbraw/zinc/14/38/34/145143834.db2.gz RSSURZGMTHKROJ-ZBKUBXTQSA-N 1 3 310.482 2.016 20 0 DEADHO OCC[C@@H]1CCCCN1C/C=C/C[N@H+]1CCCC[C@H]1CCO ZINC000247704677 145143835 /nfs/dbraw/zinc/14/38/35/145143835.db2.gz RSSURZGMTHKROJ-ZBKUBXTQSA-N 1 3 310.482 2.016 20 0 DEADHO OCC[C@H]1CCCCN1C/C=C\C[N@@H+]1CCCC[C@H]1CCO ZINC000255342996 145203871 /nfs/dbraw/zinc/20/38/71/145203871.db2.gz RSSURZGMTHKROJ-SPCWZHTESA-N 1 3 310.482 2.016 20 0 DEADHO OCC[C@H]1CCCCN1C/C=C\C[N@H+]1CCCC[C@H]1CCO ZINC000255342996 145203873 /nfs/dbraw/zinc/20/38/73/145203873.db2.gz RSSURZGMTHKROJ-SPCWZHTESA-N 1 3 310.482 2.016 20 0 DEADHO OCC[C@H]1CCCC[N@H+]1C/C=C\CN1CCCC[C@H]1CCO ZINC000255342996 145203874 /nfs/dbraw/zinc/20/38/74/145203874.db2.gz RSSURZGMTHKROJ-SPCWZHTESA-N 1 3 310.482 2.016 20 0 DEADHO OCC[C@H]1CCCC[N@@H+]1C/C=C\CN1CCCC[C@H]1CCO ZINC000255342996 145203875 /nfs/dbraw/zinc/20/38/75/145203875.db2.gz RSSURZGMTHKROJ-SPCWZHTESA-N 1 3 310.482 2.016 20 0 DEADHO C[C@]1(C[NH3+])CCN(CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000261663166 145214347 /nfs/dbraw/zinc/21/43/47/145214347.db2.gz ILBOXWBRNASDJC-OAHLLOKOSA-N 1 3 313.804 2.478 20 0 DEADHO C[C@]1(CN)CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000261663166 145214349 /nfs/dbraw/zinc/21/43/49/145214349.db2.gz ILBOXWBRNASDJC-OAHLLOKOSA-N 1 3 313.804 2.478 20 0 DEADHO C[C@]1(CN)CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000261663166 145214351 /nfs/dbraw/zinc/21/43/51/145214351.db2.gz ILBOXWBRNASDJC-OAHLLOKOSA-N 1 3 313.804 2.478 20 0 DEADHO Cc1cccc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000261950491 145246238 /nfs/dbraw/zinc/24/62/38/145246238.db2.gz WFBQAGRVCSCQRE-ROUUACIJSA-N 1 3 315.461 2.075 20 0 DEADHO C[C@@H]([NH3+])C1CCN(Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000262023473 145253638 /nfs/dbraw/zinc/25/36/38/145253638.db2.gz WKSFNEIKYFGPPS-GFCCVEGCSA-N 1 3 319.840 2.480 20 0 DEADHO O=C(Nc1ccc(F)cc1)C1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000262023509 145253781 /nfs/dbraw/zinc/25/37/81/145253781.db2.gz WLLVBBYAVZDMIL-AWEZNQCLSA-N 1 3 319.424 2.476 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@@H](C)C1C[NH2+]C1)c1ccsc1 ZINC000262301199 145274932 /nfs/dbraw/zinc/27/49/32/145274932.db2.gz BMROUYVHCXUXGW-WFASDCNBSA-N 1 3 309.479 2.103 20 0 DEADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262376637 145279987 /nfs/dbraw/zinc/27/99/87/145279987.db2.gz XIHRPQMWJHHZEO-WJPQVJKASA-N 1 3 321.509 2.377 20 0 DEADHO [NH3+]CCCOC1CCN(CCCOc2ccc(F)cc2)CC1 ZINC000317284930 145364918 /nfs/dbraw/zinc/36/49/18/145364918.db2.gz VDAAMJXTURGYPE-UHFFFAOYSA-N 1 3 310.413 2.424 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000346276263 146052892 /nfs/dbraw/zinc/05/28/92/146052892.db2.gz HLVHTPTWSXGVQM-ZIAGYGMSSA-N 1 3 309.479 2.156 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]CC[C@H]2CCCN2C)[C@@H](C)C1 ZINC000346605962 146109210 /nfs/dbraw/zinc/10/92/10/146109210.db2.gz JEBYWIBYZJJNLQ-KSZLIROESA-N 1 3 311.514 2.197 20 0 DEADHO Cc1ccc(NC(=O)[C@@H]2CCCN(C[C@@H]3CCC[NH2+]C3)C2)nc1 ZINC000346848913 146152934 /nfs/dbraw/zinc/15/29/34/146152934.db2.gz FONQWCPXFBFJOK-HZPDHXFCSA-N 1 3 316.449 2.040 20 0 DEADHO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](C[C@@H]3CCCNC3)C2)nc1 ZINC000346848913 146152935 /nfs/dbraw/zinc/15/29/35/146152935.db2.gz FONQWCPXFBFJOK-HZPDHXFCSA-N 1 3 316.449 2.040 20 0 DEADHO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](C[C@@H]3CCCNC3)C2)nc1 ZINC000346848913 146152938 /nfs/dbraw/zinc/15/29/38/146152938.db2.gz FONQWCPXFBFJOK-HZPDHXFCSA-N 1 3 316.449 2.040 20 0 DEADHO C[NH2+]CC1CCN(Cc2cc(OC)cc3c2O[C@@H](C)C3)CC1 ZINC000347019055 146181257 /nfs/dbraw/zinc/18/12/57/146181257.db2.gz LPMJJNSHWMFIKY-ZDUSSCGKSA-N 1 3 304.434 2.450 20 0 DEADHO CCOC(=O)COc1ccc(CN2CCC(C[NH2+]C)CC2)cc1 ZINC000347189199 146207513 /nfs/dbraw/zinc/20/75/13/146207513.db2.gz DBVGTXYTTRIVTG-UHFFFAOYSA-N 1 3 320.433 2.060 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccnn1C(C)C ZINC000349062721 146346085 /nfs/dbraw/zinc/34/60/85/146346085.db2.gz NTBWQCVFWIDIJQ-QGZVFWFLSA-N 1 3 321.513 2.312 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccnn1C(C)C ZINC000349062721 146346086 /nfs/dbraw/zinc/34/60/86/146346086.db2.gz NTBWQCVFWIDIJQ-QGZVFWFLSA-N 1 3 321.513 2.312 20 0 DEADHO CCc1ncc(CN(C)CCN(C)C2CC[NH+](C)CC2)s1 ZINC000349062562 146346323 /nfs/dbraw/zinc/34/63/23/146346323.db2.gz NAIGTVPKSSMKSR-UHFFFAOYSA-N 1 3 310.511 2.163 20 0 DEADHO Cc1ccc(CCCN(C)CC[N@H+](C)C2CCN(C)CC2)cn1 ZINC000349074417 146347056 /nfs/dbraw/zinc/34/70/56/146347056.db2.gz NECDPBJFSQKALJ-UHFFFAOYSA-N 1 3 318.509 2.280 20 0 DEADHO Cc1ccc(CCCN(C)CC[N@@H+](C)C2CCN(C)CC2)cn1 ZINC000349074417 146347058 /nfs/dbraw/zinc/34/70/58/146347058.db2.gz NECDPBJFSQKALJ-UHFFFAOYSA-N 1 3 318.509 2.280 20 0 DEADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000349647851 146393009 /nfs/dbraw/zinc/39/30/09/146393009.db2.gz WAUXHZCVPZYRJF-MRXNPFEDSA-N 1 3 322.497 2.154 20 0 DEADHO COC(=O)c1cccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357061063 147033258 /nfs/dbraw/zinc/03/32/58/147033258.db2.gz ZGPVUZPRVIPJEP-KRWDZBQOSA-N 1 3 302.418 2.295 20 0 DEADHO CC[N@H+](CCC1CCN([C@H]2CCN(C)C2=O)CC1)CC1CC1 ZINC000357081828 147038156 /nfs/dbraw/zinc/03/81/56/147038156.db2.gz IMKABRGENNNBPR-KRWDZBQOSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@@H+](CCC1CCN([C@H]2CCN(C)C2=O)CC1)CC1CC1 ZINC000357081828 147038158 /nfs/dbraw/zinc/03/81/58/147038158.db2.gz IMKABRGENNNBPR-KRWDZBQOSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357105181 147042501 /nfs/dbraw/zinc/04/25/01/147042501.db2.gz NKUSSAGCWRLIFI-BPQIPLTHSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1)C1C[NH2+]C1 ZINC000357235401 147069216 /nfs/dbraw/zinc/06/92/16/147069216.db2.gz CYNKLZIJNSDNCA-CABCVRRESA-N 1 3 315.461 2.184 20 0 DEADHO CCN1C[C@@H](C)[C@H]([NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000357341863 147090594 /nfs/dbraw/zinc/09/05/94/147090594.db2.gz HZDNHDOHJLWZLX-CRAIPNDOSA-N 1 3 302.466 2.228 20 0 DEADHO Cc1ccc(CNC(=O)[C@H](C)N2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358513010 147148442 /nfs/dbraw/zinc/14/84/42/147148442.db2.gz UZQHQVKBAOXPLO-INIZCTEOSA-N 1 3 315.461 2.075 20 0 DEADHO COCCN1CC[C@H](NC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000358722961 147190929 /nfs/dbraw/zinc/19/09/29/147190929.db2.gz LMHKUMLUVGADBY-NEWSRXKRSA-N 1 3 323.525 2.340 20 0 DEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000359238450 147288487 /nfs/dbraw/zinc/28/84/87/147288487.db2.gz QVEQWBKKOLKJBV-JKSUJKDBSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000359238450 147288491 /nfs/dbraw/zinc/28/84/91/147288491.db2.gz QVEQWBKKOLKJBV-JKSUJKDBSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000359325250 147306834 /nfs/dbraw/zinc/30/68/34/147306834.db2.gz SOOBLDXTECAVLM-FZKCQIBNSA-N 1 3 307.482 2.381 20 0 DEADHO C[C@@H](C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000359325250 147306837 /nfs/dbraw/zinc/30/68/37/147306837.db2.gz SOOBLDXTECAVLM-FZKCQIBNSA-N 1 3 307.482 2.381 20 0 DEADHO c1c(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)nc2n1CCS2 ZINC000423067932 296599614 /nfs/dbraw/zinc/59/96/14/296599614.db2.gz IUONPCAAMULUKD-HRCADAONSA-N 1 3 320.506 2.432 20 0 DEADHO OC[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1CCOC1 ZINC000370665872 148041083 /nfs/dbraw/zinc/04/10/83/148041083.db2.gz QZMVRNMTBPMNDF-JKSUJKDBSA-N 1 3 310.482 2.018 20 0 DEADHO OC[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCOC1 ZINC000370665872 148041086 /nfs/dbraw/zinc/04/10/86/148041086.db2.gz QZMVRNMTBPMNDF-JKSUJKDBSA-N 1 3 310.482 2.018 20 0 DEADHO CC(C)([NH3+])CC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000370763103 148053152 /nfs/dbraw/zinc/05/31/52/148053152.db2.gz FFETXJABORLYBW-INIZCTEOSA-N 1 3 303.450 2.142 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CC(C)(C)[NH3+] ZINC000370772956 148053499 /nfs/dbraw/zinc/05/34/99/148053499.db2.gz MXBKHNRWBWFWFB-GOEBONIOSA-N 1 3 303.450 2.141 20 0 DEADHO CC(C)OCCC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000371340712 148090553 /nfs/dbraw/zinc/09/05/53/148090553.db2.gz HSLBQHVAKVZXCM-UHFFFAOYSA-N 1 3 311.514 2.292 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000111882963 401726871 /nfs/dbraw/zinc/72/68/71/401726871.db2.gz DFUZJXBHNPAFGX-INIZCTEOSA-N 1 3 310.486 2.033 20 0 DEADHO COCC1CCN(C/C=C/C[NH+]2CCC(COC)CC2)CC1 ZINC000112353864 401741119 /nfs/dbraw/zinc/74/11/19/401741119.db2.gz KAYKCSHRCBRILE-ONEGZZNKSA-N 1 3 310.482 2.259 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000127628600 401742989 /nfs/dbraw/zinc/74/29/89/401742989.db2.gz OAGAFXGNDFZCEC-IRXDYDNUSA-N 1 3 324.513 2.425 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000127628600 401742993 /nfs/dbraw/zinc/74/29/93/401742993.db2.gz OAGAFXGNDFZCEC-IRXDYDNUSA-N 1 3 324.513 2.425 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)C(C)C ZINC000126983716 401715775 /nfs/dbraw/zinc/71/57/75/401715775.db2.gz MCWULZIXIQRAPC-HOTGVXAUSA-N 1 3 324.513 2.420 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H]2C2CCC2)CC1 ZINC000114456434 401800206 /nfs/dbraw/zinc/80/02/06/401800206.db2.gz UYXYHSZAOIAZIF-QGZVFWFLSA-N 1 3 307.482 2.240 20 0 DEADHO CC(CN1CCCC[C@@H]1CCO)C[N@@H+]1CCCC[C@@H]1CCO ZINC000112661944 401753084 /nfs/dbraw/zinc/75/30/84/401753084.db2.gz FZUJKZQSTTYCEH-QZTJIDSGSA-N 1 3 312.498 2.096 20 0 DEADHO CC(CN1CCCC[C@@H]1CCO)C[N@H+]1CCCC[C@@H]1CCO ZINC000112661944 401753085 /nfs/dbraw/zinc/75/30/85/401753085.db2.gz FZUJKZQSTTYCEH-QZTJIDSGSA-N 1 3 312.498 2.096 20 0 DEADHO CN1CCCN(CCC[NH2+][C@@H]2CCc3ccccc3C2)CC1 ZINC000128290462 401770676 /nfs/dbraw/zinc/77/06/76/401770676.db2.gz CMNOXSLBIMWBJQ-LJQANCHMSA-N 1 3 301.478 2.161 20 0 DEADHO CC[C@@H](N)C(=O)Nc1ccc(OC)c(OCC[NH+](CC)CC)c1 ZINC000130400527 401830417 /nfs/dbraw/zinc/83/04/17/401830417.db2.gz QFQURFXQGICSDC-CQSZACIVSA-N 1 3 323.437 2.092 20 0 DEADHO CCN(CC)CCC[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000131469019 401851012 /nfs/dbraw/zinc/85/10/12/401851012.db2.gz GXDDTQCBSUTZNI-UHFFFAOYSA-N 1 3 304.482 2.368 20 0 DEADHO CC[C@]1(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)CCC[NH2+]1 ZINC000134576948 401906894 /nfs/dbraw/zinc/90/68/94/401906894.db2.gz MTQYAGVZBYMEEV-SJLPKXTDSA-N 1 3 303.450 2.246 20 0 DEADHO CC(C)(C)[C@H](N)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000118945828 401914721 /nfs/dbraw/zinc/91/47/21/401914721.db2.gz PUKXDJCQGGTLDX-DLBZAZTESA-N 1 3 317.477 2.041 20 0 DEADHO CC(C)(C)[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000118945828 401914722 /nfs/dbraw/zinc/91/47/22/401914722.db2.gz PUKXDJCQGGTLDX-DLBZAZTESA-N 1 3 317.477 2.041 20 0 DEADHO Cc1ccc(CCN(C)CC[N@H+](C)C2CCN(C)CC2)cc1 ZINC000089269350 401940937 /nfs/dbraw/zinc/94/09/37/401940937.db2.gz NBOYYFUCEGGJJQ-UHFFFAOYSA-N 1 3 303.494 2.495 20 0 DEADHO Cc1ccc(CCN(C)CC[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000089269350 401940939 /nfs/dbraw/zinc/94/09/39/401940939.db2.gz NBOYYFUCEGGJJQ-UHFFFAOYSA-N 1 3 303.494 2.495 20 0 DEADHO CN(CC[C@@H]1CCOC1=O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000120783019 402002218 /nfs/dbraw/zinc/00/22/18/402002218.db2.gz JIKYFAHMDAUMHB-ZWKOTPCHSA-N 1 3 316.445 2.394 20 0 DEADHO CN(CC[C@@H]1CCOC1=O)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000120783019 402002220 /nfs/dbraw/zinc/00/22/20/402002220.db2.gz JIKYFAHMDAUMHB-ZWKOTPCHSA-N 1 3 316.445 2.394 20 0 DEADHO Cc1ccsc1[C@H]1C[C@H]1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000120872170 402005506 /nfs/dbraw/zinc/00/55/06/402005506.db2.gz FVOJHCCGISPFGB-LSDHHAIUSA-N 1 3 323.506 2.112 20 0 DEADHO C[C@@H]1CN(CC2CC[NH+](Cc3ccn(C)c3)CC2)C[C@H](C)O1 ZINC000092587216 402006492 /nfs/dbraw/zinc/00/64/92/402006492.db2.gz ZIOXBKLOWUHPHT-IYBDPMFKSA-N 1 3 305.466 2.346 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1[nH]c(C)cc1C ZINC000152168999 402079982 /nfs/dbraw/zinc/07/99/82/402079982.db2.gz PHUIMJHGZKVVMI-INIZCTEOSA-N 1 3 320.481 2.120 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1[nH]c(C)cc1C ZINC000152168999 402079985 /nfs/dbraw/zinc/07/99/85/402079985.db2.gz PHUIMJHGZKVVMI-INIZCTEOSA-N 1 3 320.481 2.120 20 0 DEADHO CCN(CC)CC(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000058853429 402103224 /nfs/dbraw/zinc/10/32/24/402103224.db2.gz WGANWAMTQFFZKW-UHFFFAOYSA-N 1 3 309.429 2.058 20 0 DEADHO C[C@H](CNC(=O)N(C)CC1CCN(C)CC1)C[NH+]1CCCCC1 ZINC000103608346 402193083 /nfs/dbraw/zinc/19/30/83/402193083.db2.gz ZCDPNSVBYHHLQX-MRXNPFEDSA-N 1 3 324.513 2.092 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000104136675 402198870 /nfs/dbraw/zinc/19/88/70/402198870.db2.gz JVJYFLASSYJAQU-KRWDZBQOSA-N 1 3 303.450 2.239 20 0 DEADHO CCN(CCNC(=O)NCCC[NH2+]C1CCCCC1)C1CC1 ZINC000102068896 402162343 /nfs/dbraw/zinc/16/23/43/402162343.db2.gz MSWWAPDWIOQADN-UHFFFAOYSA-N 1 3 310.486 2.082 20 0 DEADHO CC[C@H](NCCC[N@H+](C)CCOC)c1ccc2c(c1)OCCO2 ZINC000153748786 402168221 /nfs/dbraw/zinc/16/82/21/402168221.db2.gz OXAGTPUCXCOVKZ-INIZCTEOSA-N 1 3 322.449 2.467 20 0 DEADHO CC[C@H](NCCC[N@@H+](C)CCOC)c1ccc2c(c1)OCCO2 ZINC000153748786 402168222 /nfs/dbraw/zinc/16/82/22/402168222.db2.gz OXAGTPUCXCOVKZ-INIZCTEOSA-N 1 3 322.449 2.467 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103092100 402178324 /nfs/dbraw/zinc/17/83/24/402178324.db2.gz JVYBCFHHCRODMW-KRWDZBQOSA-N 1 3 309.498 2.443 20 0 DEADHO C[C@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)N(C)C1CC1 ZINC000105134602 402206470 /nfs/dbraw/zinc/20/64/70/402206470.db2.gz HCELSGUSAYJJBC-JKSUJKDBSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@H](CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)N(C)C1CC1 ZINC000105134602 402206471 /nfs/dbraw/zinc/20/64/71/402206471.db2.gz HCELSGUSAYJJBC-JKSUJKDBSA-N 1 3 324.513 2.423 20 0 DEADHO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)CN1CCC(C)CC1)CC2 ZINC000158896976 402313612 /nfs/dbraw/zinc/31/36/12/402313612.db2.gz AEMGFCQLZRHITG-VQIMIIECSA-N 1 3 318.461 2.365 20 0 DEADHO C[C@H](C[NH2+]C1CC(NC(=O)OC(C)(C)C)C1)CN1CCCC1 ZINC000229842874 402345575 /nfs/dbraw/zinc/34/55/75/402345575.db2.gz VUTTZXLBVGIOJQ-WLYUNCDWSA-N 1 3 311.470 2.364 20 0 DEADHO C[C@H](CNC1CC(NC(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC000229842874 402345577 /nfs/dbraw/zinc/34/55/77/402345577.db2.gz VUTTZXLBVGIOJQ-WLYUNCDWSA-N 1 3 311.470 2.364 20 0 DEADHO CCCC[C@@H](N)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000236691595 402375330 /nfs/dbraw/zinc/37/53/30/402375330.db2.gz OUADQJDWPRYVOW-QZTJIDSGSA-N 1 3 317.477 2.484 20 0 DEADHO CCCC[C@@H](N)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000236691595 402375331 /nfs/dbraw/zinc/37/53/31/402375331.db2.gz OUADQJDWPRYVOW-QZTJIDSGSA-N 1 3 317.477 2.484 20 0 DEADHO CC1CCC(N2CCN(C(=O)[C@H]3CC34CC[NH2+]CC4)CC2)CC1 ZINC000236711346 402377036 /nfs/dbraw/zinc/37/70/36/402377036.db2.gz BYFRPKDQFGGNKI-OFLPRAFFSA-N 1 3 319.493 2.099 20 0 DEADHO CC1CC[NH+](Cc2ccccc2CNC(=O)C(C)(C)N)CC1 ZINC000236714089 402377304 /nfs/dbraw/zinc/37/73/04/402377304.db2.gz AKENNPXCCIYDLE-UHFFFAOYSA-N 1 3 303.450 2.272 20 0 DEADHO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H](CN)c1ccccc1 ZINC000236858351 402386059 /nfs/dbraw/zinc/38/60/59/402386059.db2.gz HDBCPAWKMFTMFJ-RDJZCZTQSA-N 1 3 305.466 2.356 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(C)CCN(C)C2CC2)C1 ZINC000185141765 402327507 /nfs/dbraw/zinc/32/75/07/402327507.db2.gz BOAYBRYIGDURAJ-HZPDHXFCSA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000186122224 402403096 /nfs/dbraw/zinc/40/30/96/402403096.db2.gz OCLVEQBJADJCAE-INIZCTEOSA-N 1 3 312.502 2.233 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)C(C)(C)C[NH3+])CC1 ZINC000237390215 402406534 /nfs/dbraw/zinc/40/65/34/402406534.db2.gz BUWCIOWGTJHNCA-CQSZACIVSA-N 1 3 303.450 2.313 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)CC(C)(C)[NH3+])CCN1Cc1ccccc1 ZINC000237438762 402408212 /nfs/dbraw/zinc/40/82/12/402408212.db2.gz QMFNQGAKYHSRBU-GDBMZVCRSA-N 1 3 303.450 2.283 20 0 DEADHO C[C@]1(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC[NH2+]C1 ZINC000237562104 402413303 /nfs/dbraw/zinc/41/33/03/402413303.db2.gz XBXOBUVJZWVDSB-HKUYNNGSSA-N 1 3 315.461 2.157 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)C2([NH3+])CCCC2)CN1Cc1ccccc1 ZINC000237586870 402414131 /nfs/dbraw/zinc/41/41/31/402414131.db2.gz SUFPNXRBVRHQKH-ZBFHGGJFSA-N 1 3 301.434 2.037 20 0 DEADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[C@@H]1CN1CCCCC1 ZINC000237875374 402423718 /nfs/dbraw/zinc/42/37/18/402423718.db2.gz ORABBLVAUCDDGT-HQSKLWIPSA-N 1 3 319.493 2.384 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc3c(c2)CCO3)CC1 ZINC000178003253 402451447 /nfs/dbraw/zinc/45/14/47/402451447.db2.gz UKGYRVDFYDSVRB-INIZCTEOSA-N 1 3 317.477 2.300 20 0 DEADHO CC[C@H](N)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000164583952 402465194 /nfs/dbraw/zinc/46/51/94/402465194.db2.gz FNHWOLNUSMDXMI-KRWDZBQOSA-N 1 3 303.450 2.272 20 0 DEADHO NC[C@H](C(=O)NCC[NH2+]C1CCCCCC1)c1ccccc1 ZINC000178177183 402468488 /nfs/dbraw/zinc/46/84/88/402468488.db2.gz ZKBSREBWQRPZCO-KRWDZBQOSA-N 1 3 303.450 2.158 20 0 DEADHO CN(C(=O)[C@@H]1CCC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000165491701 402476822 /nfs/dbraw/zinc/47/68/22/402476822.db2.gz MLKXUWLZROZYBP-MSOLQXFVSA-N 1 3 315.461 2.109 20 0 DEADHO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]1CCCCN1 ZINC000165921143 402479842 /nfs/dbraw/zinc/47/98/42/402479842.db2.gz UMXYRQAGOKOJTR-QGZVFWFLSA-N 1 3 301.434 2.406 20 0 DEADHO CC[C@H](C)[C@@H](N)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000166212993 402482738 /nfs/dbraw/zinc/48/27/38/402482738.db2.gz JDNOSXHWAPPOKH-XJKSGUPXSA-N 1 3 323.506 2.450 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)C[C@@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000167547801 402492434 /nfs/dbraw/zinc/49/24/34/402492434.db2.gz XLMHSKQGPRKYHK-BPQIPLTHSA-N 1 3 315.461 2.298 20 0 DEADHO CCO[C@@H]1C[C@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)C1(C)C ZINC000245955921 402500154 /nfs/dbraw/zinc/50/01/54/402500154.db2.gz XHRSTDKZPYSHJY-HYVNUMGLSA-N 1 3 310.482 2.281 20 0 DEADHO C[C@@H](O)C[C@@H]1CCCN1C[C@H](C)C[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000246798575 402544822 /nfs/dbraw/zinc/54/48/22/402544822.db2.gz SPJFSNYRMHMQSK-ADHGMGHFSA-N 1 3 312.498 2.093 20 0 DEADHO C[C@@H](O)C[C@@H]1CCCN1C[C@H](C)C[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000246798575 402544826 /nfs/dbraw/zinc/54/48/26/402544826.db2.gz SPJFSNYRMHMQSK-ADHGMGHFSA-N 1 3 312.498 2.093 20 0 DEADHO C[C@@H](O)C[C@@H]1CCC[N@H+]1C[C@H](C)CN1CCC[C@H]1C[C@H](C)O ZINC000246798575 402544829 /nfs/dbraw/zinc/54/48/29/402544829.db2.gz SPJFSNYRMHMQSK-ADHGMGHFSA-N 1 3 312.498 2.093 20 0 DEADHO C[C@@H](O)C[C@@H]1CCC[N@@H+]1C[C@H](C)CN1CCC[C@H]1C[C@H](C)O ZINC000246798575 402544831 /nfs/dbraw/zinc/54/48/31/402544831.db2.gz SPJFSNYRMHMQSK-ADHGMGHFSA-N 1 3 312.498 2.093 20 0 DEADHO CC(CN1CCC[C@H]1C[C@H](C)O)C[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000246798621 402545080 /nfs/dbraw/zinc/54/50/80/402545080.db2.gz SPJFSNYRMHMQSK-XSLAGTTESA-N 1 3 312.498 2.093 20 0 DEADHO CC(CN1CCC[C@H]1C[C@H](C)O)C[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000246798621 402545083 /nfs/dbraw/zinc/54/50/83/402545083.db2.gz SPJFSNYRMHMQSK-XSLAGTTESA-N 1 3 312.498 2.093 20 0 DEADHO C[C@@H]([NH3+])C(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000178832482 402545152 /nfs/dbraw/zinc/54/51/52/402545152.db2.gz OLEQRMJBFMWKJB-MRXNPFEDSA-N 1 3 315.461 2.381 20 0 DEADHO Cc1ccc(C(=O)NCCN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1F ZINC000246967728 402551804 /nfs/dbraw/zinc/55/18/04/402551804.db2.gz IZJFBGGPRVMHCA-JKIFEVAISA-N 1 3 321.440 2.182 20 0 DEADHO Cc1ccc(C(=O)NCCN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1F ZINC000246967728 402551806 /nfs/dbraw/zinc/55/18/06/402551806.db2.gz IZJFBGGPRVMHCA-JKIFEVAISA-N 1 3 321.440 2.182 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000178951868 402558411 /nfs/dbraw/zinc/55/84/11/402558411.db2.gz YHYUPQNLXANBEX-CYBMUJFWSA-N 1 3 315.417 2.224 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)C1 ZINC000246364428 402527127 /nfs/dbraw/zinc/52/71/27/402527127.db2.gz HIPZYEXPDDWSRT-XHSDSOJGSA-N 1 3 322.497 2.031 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)C1 ZINC000246364428 402527130 /nfs/dbraw/zinc/52/71/30/402527130.db2.gz HIPZYEXPDDWSRT-XHSDSOJGSA-N 1 3 322.497 2.031 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000246642174 402539063 /nfs/dbraw/zinc/53/90/63/402539063.db2.gz HJZISQBUDYIXAD-RCCFBDPRSA-N 1 3 315.461 2.285 20 0 DEADHO CC[N@@H+]1CC[C@@H](NCCN2CCc3ccccc3C2=O)[C@@H](C)C1 ZINC000248842639 402611169 /nfs/dbraw/zinc/61/11/69/402611169.db2.gz OGQKYJBEBJQVQB-MAUKXSAKSA-N 1 3 315.461 2.005 20 0 DEADHO CC[N@H+]1CC[C@@H](NCCN2CCc3ccccc3C2=O)[C@@H](C)C1 ZINC000248842639 402611170 /nfs/dbraw/zinc/61/11/70/402611170.db2.gz OGQKYJBEBJQVQB-MAUKXSAKSA-N 1 3 315.461 2.005 20 0 DEADHO CC[N@@H+]1CC[C@@H](NCCN2CCc3ccccc3C2)[C@@H](C)C1 ZINC000247886357 402577354 /nfs/dbraw/zinc/57/73/54/402577354.db2.gz DCMYGVYXAFVPSJ-QFBILLFUSA-N 1 3 301.478 2.365 20 0 DEADHO CC[N@H+]1CC[C@@H](NCCN2CCc3ccccc3C2)[C@@H](C)C1 ZINC000247886357 402577356 /nfs/dbraw/zinc/57/73/56/402577356.db2.gz DCMYGVYXAFVPSJ-QFBILLFUSA-N 1 3 301.478 2.365 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NC1CCN(C2CC2)CC1 ZINC000249774997 402641891 /nfs/dbraw/zinc/64/18/91/402641891.db2.gz MSVAHNAQUULXGW-GJZGRUSLSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NC1CCN(C2CC2)CC1 ZINC000249774997 402641892 /nfs/dbraw/zinc/64/18/92/402641892.db2.gz MSVAHNAQUULXGW-GJZGRUSLSA-N 1 3 322.497 2.033 20 0 DEADHO CCO[C@H](CC[NH+](C)C)CNCc1ccc(Br)o1 ZINC000191301071 402659031 /nfs/dbraw/zinc/65/90/31/402659031.db2.gz BAUKMUVMDRZTHK-LLVKDONJSA-N 1 3 319.243 2.489 20 0 DEADHO CN(CCCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000261556841 402713722 /nfs/dbraw/zinc/71/37/22/402713722.db2.gz WJTRMUCVWVCIBO-SJORKVTESA-N 1 3 303.450 2.142 20 0 DEADHO CSCC[C@H](N)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000262766461 402730488 /nfs/dbraw/zinc/73/04/88/402730488.db2.gz HLPMIFZALRNQRU-HOTGVXAUSA-N 1 3 317.458 2.036 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)CC1 ZINC000174180188 402730708 /nfs/dbraw/zinc/73/07/08/402730708.db2.gz YDXCVFFNIMFDPS-JYJNAYRXSA-N 1 3 309.498 2.486 20 0 DEADHO C(CC1CC[NH+](CCN2CCCCC2)CC1)CN1CCOCC1 ZINC000182984137 402731197 /nfs/dbraw/zinc/73/11/97/402731197.db2.gz DYPURDCLZDJSJJ-UHFFFAOYSA-N 1 3 323.525 2.297 20 0 DEADHO C(CC1CCN(CC[NH+]2CCCCC2)CC1)CN1CCOCC1 ZINC000182984137 402731199 /nfs/dbraw/zinc/73/11/99/402731199.db2.gz DYPURDCLZDJSJJ-UHFFFAOYSA-N 1 3 323.525 2.297 20 0 DEADHO C[C@@H]1[C@H](C)NCCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000262919720 402736801 /nfs/dbraw/zinc/73/68/01/402736801.db2.gz ZGEXJUXQRZSTRC-LSDHHAIUSA-N 1 3 301.434 2.105 20 0 DEADHO CN1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccccc1N1CCOCC1)C2 ZINC000192759794 402748814 /nfs/dbraw/zinc/74/88/14/402748814.db2.gz FNDUQNORHVEUDK-AYHJJNSGSA-N 1 3 315.461 2.238 20 0 DEADHO Cc1ccc([C@H](CNC(=O)CC[C@H](C)[NH3+])N2CCCC2)cc1 ZINC000193305742 402770469 /nfs/dbraw/zinc/77/04/69/402770469.db2.gz ZQQLNRNMORCKMD-RDJZCZTQSA-N 1 3 303.450 2.376 20 0 DEADHO CCC[N@H+](CC)CCNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000175202970 402787512 /nfs/dbraw/zinc/78/75/12/402787512.db2.gz BJHPPYMRGCZXSW-UHFFFAOYSA-N 1 3 320.481 2.279 20 0 DEADHO CCC[N@@H+](CC)CCNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000175202970 402787516 /nfs/dbraw/zinc/78/75/16/402787516.db2.gz BJHPPYMRGCZXSW-UHFFFAOYSA-N 1 3 320.481 2.279 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)N1CCC(C)CC1 ZINC000176012332 402847683 /nfs/dbraw/zinc/84/76/83/402847683.db2.gz XIPVCZJSKNPOMS-IKGGRYGDSA-N 1 3 324.513 2.279 20 0 DEADHO COc1cc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)ccc1C ZINC000278882581 402881804 /nfs/dbraw/zinc/88/18/04/402881804.db2.gz OJMQNHQAMAGJQC-QZTJIDSGSA-N 1 3 318.461 2.471 20 0 DEADHO CNC(=O)c1ccc(CN(C)Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000566567223 292252861 /nfs/dbraw/zinc/25/28/61/292252861.db2.gz LJAGOOHPQSMMDZ-UHFFFAOYSA-N 1 3 323.440 2.324 20 0 DEADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)/C=C/CN(C)C ZINC000265630562 402935303 /nfs/dbraw/zinc/93/53/03/402935303.db2.gz JIOIZOBSMLTVHX-JLHYYAGUSA-N 1 3 317.477 2.475 20 0 DEADHO C[C@H](CC(N)=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000267271015 403031124 /nfs/dbraw/zinc/03/11/24/403031124.db2.gz SGPIEHKVGONICK-HUUCEWRRSA-N 1 3 303.450 2.415 20 0 DEADHO C[C@H](CC(N)=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000267271015 403031126 /nfs/dbraw/zinc/03/11/26/403031126.db2.gz SGPIEHKVGONICK-HUUCEWRRSA-N 1 3 303.450 2.415 20 0 DEADHO C[C@@H](CC(N)=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000267287635 403033421 /nfs/dbraw/zinc/03/34/21/403033421.db2.gz WWPFIZIDGIPGKX-HNNXBMFYSA-N 1 3 303.450 2.416 20 0 DEADHO COc1ccc([C@H](C)[C@@H](C)NC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000268814920 403117157 /nfs/dbraw/zinc/11/71/57/403117157.db2.gz FVNPQLOKYIRXJJ-BFYDXBDKSA-N 1 3 306.450 2.234 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H](CN)c1ccccc1 ZINC000269277142 403127540 /nfs/dbraw/zinc/12/75/40/403127540.db2.gz XRIFLWIEEAKQEW-IAGOWNOFSA-N 1 3 303.450 2.110 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H](CN)c1ccccc1 ZINC000269277142 403127541 /nfs/dbraw/zinc/12/75/41/403127541.db2.gz XRIFLWIEEAKQEW-IAGOWNOFSA-N 1 3 303.450 2.110 20 0 DEADHO O=C(CC[NH2+]C1CC1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000566748012 292265939 /nfs/dbraw/zinc/26/59/39/292265939.db2.gz KVQCPGPPYMPNRM-QGZVFWFLSA-N 1 3 301.434 2.082 20 0 DEADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc2c(c1)COC2 ZINC000282305850 403141852 /nfs/dbraw/zinc/14/18/52/403141852.db2.gz MRFTVNUPYWTORQ-OAHLLOKOSA-N 1 3 317.477 2.393 20 0 DEADHO C[C@H](NCC1([S@](C)=O)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000282362000 403146751 /nfs/dbraw/zinc/14/67/51/403146751.db2.gz PUGKHSWKUXDIIZ-FPTDNZKUSA-N 1 3 324.490 2.189 20 0 DEADHO Cc1ccc(NC(=O)CC[C@H]2CCC[NH2+]2)c(OCCN(C)C)c1 ZINC000292119723 403298230 /nfs/dbraw/zinc/29/82/30/403298230.db2.gz QHBSDRYGBNLRKI-OAHLLOKOSA-N 1 3 319.449 2.406 20 0 DEADHO c1cc(CN2CCC(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)ccn1 ZINC000339077126 403346217 /nfs/dbraw/zinc/34/62/17/403346217.db2.gz ZEBYLNLHTJVGLF-MOPGFXCFSA-N 1 3 314.477 2.262 20 0 DEADHO c1cc(CN2CCC(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)ccn1 ZINC000339077126 403346220 /nfs/dbraw/zinc/34/62/20/403346220.db2.gz ZEBYLNLHTJVGLF-MOPGFXCFSA-N 1 3 314.477 2.262 20 0 DEADHO COC1(CC[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)CCC1 ZINC000339090206 403350592 /nfs/dbraw/zinc/35/05/92/403350592.db2.gz XSXUTGOYTVLBPD-UHFFFAOYSA-N 1 3 323.525 2.295 20 0 DEADHO C[C@@H](CNC(=O)[C@@H]1CCC[NH2+][C@H]1C)N(C)Cc1ccccc1 ZINC000342731229 403325096 /nfs/dbraw/zinc/32/50/96/403325096.db2.gz KCDZGPRNICMHSE-YQQAZPJKSA-N 1 3 303.450 2.011 20 0 DEADHO C[C@H]1CN(CCC[NH2+]Cc2cnc(C(C)(C)C)nc2)CCCO1 ZINC000342847360 403370716 /nfs/dbraw/zinc/37/07/16/403370716.db2.gz QCNZNQZOZMPCSP-HNNXBMFYSA-N 1 3 320.481 2.365 20 0 DEADHO C[C@@H](CNC(=O)NCCN1CCC[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000339747261 403438242 /nfs/dbraw/zinc/43/82/42/403438242.db2.gz FLVROSIIWAYHQK-SJORKVTESA-N 1 3 324.513 2.140 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000331865660 403459467 /nfs/dbraw/zinc/45/94/67/403459467.db2.gz BXVVMEBBAGYXBA-VVLHAWIVSA-N 1 3 322.497 2.020 20 0 DEADHO CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CCCN(C)[C@H]2C)CC1 ZINC000345735828 403461884 /nfs/dbraw/zinc/46/18/84/403461884.db2.gz DBZNWSKLZBYKFL-DOTOQJQBSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)[NH+]1CCC(N2CCN(CC[C@@H]3CCCO3)CC2)CC1 ZINC000346407450 403588131 /nfs/dbraw/zinc/58/81/31/403588131.db2.gz FQJVMBWZWIWLTK-SFHVURJKSA-N 1 3 309.498 2.046 20 0 DEADHO CC[NH+](CC)CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000287392933 403589823 /nfs/dbraw/zinc/58/98/23/403589823.db2.gz VQNWRSBWMRVZCD-RDJZCZTQSA-N 1 3 320.481 2.319 20 0 DEADHO [NH3+]CCC1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000566921846 292277265 /nfs/dbraw/zinc/27/72/65/292277265.db2.gz GNBXYAAQGWHNIA-SFHVURJKSA-N 1 3 315.461 2.238 20 0 DEADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@@H]3CC[C@@H](CO)O3)CC2)C1 ZINC000340416686 403609189 /nfs/dbraw/zinc/60/91/89/403609189.db2.gz ZXTZEIDJRCMFGG-UBDQQSCGSA-N 1 3 310.482 2.159 20 0 DEADHO C[C@@H]([NH2+]Cc1ccnc(OCCN(C)C)c1)[C@]1(C)CCCO1 ZINC000340521633 403635417 /nfs/dbraw/zinc/63/54/17/403635417.db2.gz VTDZUTHYQXPGCC-PBHICJAKSA-N 1 3 307.438 2.069 20 0 DEADHO CC[C@H](C)[C@@H](C)[NH2+][C@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000347274908 403645291 /nfs/dbraw/zinc/64/52/91/403645291.db2.gz RPDHMUJINLVSGP-LZLYRXPVSA-N 1 3 319.493 2.300 20 0 DEADHO C[C@H]1[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCCN1C ZINC000343613537 403662932 /nfs/dbraw/zinc/66/29/32/403662932.db2.gz GPOMPTQALKYKLS-GXTWGEPZSA-N 1 3 310.486 2.078 20 0 DEADHO c1cc(N2CCC([NH2+][C@@H]3CCN4CCCC[C@@H]34)CC2)ccn1 ZINC000294213966 403674440 /nfs/dbraw/zinc/67/44/40/403674440.db2.gz MUKKIWOPVZWFPV-MSOLQXFVSA-N 1 3 300.450 2.267 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NCC2([NH+](C)C)CCCCC2)CCN1C ZINC000340899016 403689866 /nfs/dbraw/zinc/68/98/66/403689866.db2.gz KGIJXXMAKURFGE-HUUCEWRRSA-N 1 3 310.486 2.033 20 0 DEADHO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H]1C[C@H](N)c3ccccc31)CC2 ZINC000333242182 403703954 /nfs/dbraw/zinc/70/39/54/403703954.db2.gz FCGSBIAYFQXRPH-UHOFOFEASA-N 1 3 311.433 2.451 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000340990766 403724904 /nfs/dbraw/zinc/72/49/04/403724904.db2.gz VEXLFSMLZIPTTA-IXDOHACOSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000340990766 403724910 /nfs/dbraw/zinc/72/49/10/403724910.db2.gz VEXLFSMLZIPTTA-IXDOHACOSA-N 1 3 324.513 2.280 20 0 DEADHO CN(C)CCN(CCCc1ccccc1)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000343796280 403737725 /nfs/dbraw/zinc/73/77/25/403737725.db2.gz KMLGXAXQKPBIQY-GOSISDBHSA-N 1 3 317.477 2.009 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000347531631 403743294 /nfs/dbraw/zinc/74/32/94/403743294.db2.gz OHUZXIKYKPQLEC-HUUCEWRRSA-N 1 3 315.461 2.388 20 0 DEADHO CCC[NH+](CCC)CCCC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000343821391 403746089 /nfs/dbraw/zinc/74/60/89/403746089.db2.gz GALMUALZQSIABM-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)CC[C@H]2CCC[NH2+]2)cc1 ZINC000295243557 403809438 /nfs/dbraw/zinc/80/94/38/403809438.db2.gz SWPDQJSTFCCJAP-SJORKVTESA-N 1 3 303.450 2.458 20 0 DEADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000361713910 403818076 /nfs/dbraw/zinc/81/80/76/403818076.db2.gz KNTQVBYYHIUROK-DOTOQJQBSA-N 1 3 322.497 2.129 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000341110207 403778266 /nfs/dbraw/zinc/77/82/66/403778266.db2.gz VCXRFBDFTNQKCL-YESZJQIVSA-N 1 3 324.513 2.423 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000341110207 403778272 /nfs/dbraw/zinc/77/82/72/403778272.db2.gz VCXRFBDFTNQKCL-YESZJQIVSA-N 1 3 324.513 2.423 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000341149707 403797162 /nfs/dbraw/zinc/79/71/62/403797162.db2.gz XZWAQKRHOKXNNS-HOTGVXAUSA-N 1 3 312.502 2.280 20 0 DEADHO C[C@@H]1CN(CCC2CC[NH+](CCCCCO)CC2)C[C@H](C)O1 ZINC000304779714 403802549 /nfs/dbraw/zinc/80/25/49/403802549.db2.gz FOEAMJPZEPCLCD-CALCHBBNSA-N 1 3 312.498 2.360 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000341300413 403895788 /nfs/dbraw/zinc/89/57/88/403895788.db2.gz QGICIPQUABJBMX-RDJZCZTQSA-N 1 3 324.513 2.280 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCN2CCC[C@H](C)C2)C[C@H]1C ZINC000361747663 403839503 /nfs/dbraw/zinc/83/95/03/403839503.db2.gz NUTOBOZSAWQMCJ-BBWFWOEESA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCCN2CCC[C@H](C)C2)C[C@H]1C ZINC000361747663 403839510 /nfs/dbraw/zinc/83/95/10/403839510.db2.gz NUTOBOZSAWQMCJ-BBWFWOEESA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@]3(O)CCSC3)CC2)C1 ZINC000305188150 403869289 /nfs/dbraw/zinc/86/92/89/403869289.db2.gz XQAKLJJSWHAGMQ-PVAVHDDUSA-N 1 3 312.523 2.487 20 0 DEADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@@]3(O)CCSC3)CC2)C1 ZINC000305188150 403869293 /nfs/dbraw/zinc/86/92/93/403869293.db2.gz XQAKLJJSWHAGMQ-PVAVHDDUSA-N 1 3 312.523 2.487 20 0 DEADHO COC(=O)CCN[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000411529919 403883456 /nfs/dbraw/zinc/88/34/56/403883456.db2.gz IUDAZCNBXKQDQK-HWWDLCQESA-N 1 3 304.434 2.296 20 0 DEADHO COC(=O)CCN[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000411529919 403883460 /nfs/dbraw/zinc/88/34/60/403883460.db2.gz IUDAZCNBXKQDQK-HWWDLCQESA-N 1 3 304.434 2.296 20 0 DEADHO CN(CCCN(C)Cc1nc2cccnc2s1)CC[NH+](C)C ZINC000344063253 403884619 /nfs/dbraw/zinc/88/46/19/403884619.db2.gz NHPHJSIYGOCYNF-UHFFFAOYSA-N 1 3 321.494 2.007 20 0 DEADHO CCN1CCN(CCCC[NH2+]CCCc2cnccc2C)CC1 ZINC000289348827 403920817 /nfs/dbraw/zinc/92/08/17/403920817.db2.gz XCBVLESLPMRRAJ-UHFFFAOYSA-N 1 3 318.509 2.330 20 0 DEADHO CN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000354642015 403923011 /nfs/dbraw/zinc/92/30/11/403923011.db2.gz PTGOVFUZTJQKAM-QGZVFWFLSA-N 1 3 322.497 2.131 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000337369624 403982748 /nfs/dbraw/zinc/98/27/48/403982748.db2.gz OMERTQTXKVPNEZ-ZACQAIPSSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000337369624 403982751 /nfs/dbraw/zinc/98/27/51/403982751.db2.gz OMERTQTXKVPNEZ-ZACQAIPSSA-N 1 3 324.513 2.423 20 0 DEADHO CCOCC[N@H+](C)Cc1ccccc1N1CCN(CC)CC1 ZINC000354747676 403984601 /nfs/dbraw/zinc/98/46/01/403984601.db2.gz JMBYBWGLERCJGY-UHFFFAOYSA-N 1 3 305.466 2.297 20 0 DEADHO CCOCC[N@@H+](C)Cc1ccccc1N1CCN(CC)CC1 ZINC000354747676 403984605 /nfs/dbraw/zinc/98/46/05/403984605.db2.gz JMBYBWGLERCJGY-UHFFFAOYSA-N 1 3 305.466 2.297 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000344290183 404034067 /nfs/dbraw/zinc/03/40/67/404034067.db2.gz YCROTVSPAVYYJZ-GASCZTMLSA-N 1 3 303.450 2.237 20 0 DEADHO O[C@@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)COc1ccc(Cl)cc1 ZINC000314576147 403998609 /nfs/dbraw/zinc/99/86/09/403998609.db2.gz OTVWSNMQRALFLD-BBRMVZONSA-N 1 3 324.852 2.154 20 0 DEADHO O[C@@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)COc1ccc(Cl)cc1 ZINC000314576147 403998614 /nfs/dbraw/zinc/99/86/14/403998614.db2.gz OTVWSNMQRALFLD-BBRMVZONSA-N 1 3 324.852 2.154 20 0 DEADHO O[C@@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)COc1ccc(Cl)cc1 ZINC000314576147 403998621 /nfs/dbraw/zinc/99/86/21/403998621.db2.gz OTVWSNMQRALFLD-BBRMVZONSA-N 1 3 324.852 2.154 20 0 DEADHO COC[C@@H]1C[C@H](O)CN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411911736 404012015 /nfs/dbraw/zinc/01/20/15/404012015.db2.gz NXEXOTPXGSIJMK-OALUTQOASA-N 1 3 318.461 2.254 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000290242115 404095598 /nfs/dbraw/zinc/09/55/98/404095598.db2.gz VOARLHSSLYWZJO-DKIMLUQUSA-N 1 3 315.461 2.154 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000290090205 404036229 /nfs/dbraw/zinc/03/62/29/404036229.db2.gz WSSIQDVVUJLEDR-OKZBNKHCSA-N 1 3 315.461 2.328 20 0 DEADHO COc1cc([C@@H](C)[NH2+]CC[C@@H]2CCCN2C)ccc1OCCO ZINC000341586206 404051287 /nfs/dbraw/zinc/05/12/87/404051287.db2.gz MZYYSKQSFSQINJ-ZBFHGGJFSA-N 1 3 322.449 2.201 20 0 DEADHO C[NH+](C)CCCOc1cnccc1CNC[C@H]1CCC=CO1 ZINC000290131543 404054308 /nfs/dbraw/zinc/05/43/08/404054308.db2.gz JSIPSBNTMDNCEN-MRXNPFEDSA-N 1 3 305.422 2.194 20 0 DEADHO CNC(=O)C[C@H](C)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000290284391 404111824 /nfs/dbraw/zinc/11/18/24/404111824.db2.gz XMYMZFODVFLVAT-FUHWJXTLSA-N 1 3 317.477 2.403 20 0 DEADHO CNC(=O)C[C@H](C)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000290284391 404111827 /nfs/dbraw/zinc/11/18/27/404111827.db2.gz XMYMZFODVFLVAT-FUHWJXTLSA-N 1 3 317.477 2.403 20 0 DEADHO CNC(=O)C[C@H](C)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290284391 404111832 /nfs/dbraw/zinc/11/18/32/404111832.db2.gz XMYMZFODVFLVAT-FUHWJXTLSA-N 1 3 317.477 2.403 20 0 DEADHO CCCN(C)CC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000337570141 404103711 /nfs/dbraw/zinc/10/37/11/404103711.db2.gz SENICPRYGRUCSW-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(C)cc1 ZINC000337573761 404105718 /nfs/dbraw/zinc/10/57/18/404105718.db2.gz FXABTJRVMRKCOU-SFHVURJKSA-N 1 3 317.477 2.483 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(C)cc1 ZINC000337573761 404105725 /nfs/dbraw/zinc/10/57/25/404105725.db2.gz FXABTJRVMRKCOU-SFHVURJKSA-N 1 3 317.477 2.483 20 0 DEADHO NC1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC1 ZINC000296162285 404122099 /nfs/dbraw/zinc/12/20/99/404122099.db2.gz WONWSUKZRIPPIJ-ALOPSCKCSA-N 1 3 313.445 2.180 20 0 DEADHO NC1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000296162285 404122106 /nfs/dbraw/zinc/12/21/06/404122106.db2.gz WONWSUKZRIPPIJ-ALOPSCKCSA-N 1 3 313.445 2.180 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000349188095 404132130 /nfs/dbraw/zinc/13/21/30/404132130.db2.gz KOMMOROYYIZWQC-SJORKVTESA-N 1 3 307.482 2.338 20 0 DEADHO CN(C)C/C=C/C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000369570012 404146275 /nfs/dbraw/zinc/14/62/75/404146275.db2.gz PLDULWXPNOLBAE-MDZDMXLPSA-N 1 3 307.482 2.409 20 0 DEADHO CN(C)Cc1cccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000296356721 404211021 /nfs/dbraw/zinc/21/10/21/404211021.db2.gz OHCHATBUFWXUGC-ALOPSCKCSA-N 1 3 316.449 2.495 20 0 DEADHO CN(C)Cc1cccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000296356721 404211025 /nfs/dbraw/zinc/21/10/25/404211025.db2.gz OHCHATBUFWXUGC-ALOPSCKCSA-N 1 3 316.449 2.495 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000412178621 404173753 /nfs/dbraw/zinc/17/37/53/404173753.db2.gz NEGPLYNVMIUDCT-NNXHMXCWSA-N 1 3 307.482 2.333 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412178621 404173755 /nfs/dbraw/zinc/17/37/55/404173755.db2.gz NEGPLYNVMIUDCT-NNXHMXCWSA-N 1 3 307.482 2.333 20 0 DEADHO c1nnc([C@H](NCC2CC[NH+](C3CC3)CC2)c2ccccc2)[nH]1 ZINC000290490719 404191149 /nfs/dbraw/zinc/19/11/49/404191149.db2.gz XUFRLASFJZFEGD-QGZVFWFLSA-N 1 3 311.433 2.358 20 0 DEADHO CC[NH+](CC)CCOC1CCN(CCn2cc(C)cn2)CC1 ZINC000341868622 404224512 /nfs/dbraw/zinc/22/45/12/404224512.db2.gz HHUAVJQPKHKUDW-UHFFFAOYSA-N 1 3 308.470 2.014 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)[C@@H](C)O1 ZINC000296608183 404311438 /nfs/dbraw/zinc/31/14/38/404311438.db2.gz YZHBBRAGIDWGPZ-GPMSIDNRSA-N 1 3 317.477 2.090 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CCN1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000364433530 404390864 /nfs/dbraw/zinc/39/08/64/404390864.db2.gz HAXFLBHZPXEDHX-DNVCBOLYSA-N 1 3 313.445 2.457 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CCN1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000364433530 404390869 /nfs/dbraw/zinc/39/08/69/404390869.db2.gz HAXFLBHZPXEDHX-DNVCBOLYSA-N 1 3 313.445 2.457 20 0 DEADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCC(C)(C)OCCO)CC2)C1 ZINC000352488754 404407002 /nfs/dbraw/zinc/40/70/02/404407002.db2.gz UEQBSCRRHBWVAB-RDJZCZTQSA-N 1 3 312.498 2.407 20 0 DEADHO C[C@H]1CCC[C@H](N2CCC([NH2+]CC(C)(C)OCCO)CC2)C1 ZINC000352488754 404407006 /nfs/dbraw/zinc/40/70/06/404407006.db2.gz UEQBSCRRHBWVAB-RDJZCZTQSA-N 1 3 312.498 2.407 20 0 DEADHO [NH3+]CCCN(Cc1cc(=O)n2ccccc2n1)CC1CCCC1 ZINC000352496738 404413717 /nfs/dbraw/zinc/41/37/17/404413717.db2.gz YYXDMYGEVLFZMW-UHFFFAOYSA-N 1 3 314.433 2.036 20 0 DEADHO CN(C)CCN(C(=O)c1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000356276372 404418770 /nfs/dbraw/zinc/41/87/70/404418770.db2.gz HITPVQUNVMCDLY-UHFFFAOYSA-N 1 3 315.461 2.449 20 0 DEADHO C(N1CC[C@@H](C2CC2)C1)C1(C[N@@H+]2CC[C@@H](C3CC3)C2)COC1 ZINC000364719879 404514811 /nfs/dbraw/zinc/51/48/11/404514811.db2.gz DDHOIOSKOBMPKH-QZTJIDSGSA-N 1 3 304.478 2.467 20 0 DEADHO C(N1CC[C@@H](C2CC2)C1)C1(C[N@H+]2CC[C@@H](C3CC3)C2)COC1 ZINC000364719879 404514819 /nfs/dbraw/zinc/51/48/19/404514819.db2.gz DDHOIOSKOBMPKH-QZTJIDSGSA-N 1 3 304.478 2.467 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H](CO)C(C)C)CC1 ZINC000342192623 404433352 /nfs/dbraw/zinc/43/33/52/404433352.db2.gz BBQZRFFCDIJGGB-SFHVURJKSA-N 1 3 319.493 2.183 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NCC[N@H+](CC)C(C)C ZINC000352675168 404538764 /nfs/dbraw/zinc/53/87/64/404538764.db2.gz AAMMOMSQNGIUJR-UHFFFAOYSA-N 1 3 312.502 2.234 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NCC[N@@H+](CC)C(C)C ZINC000352675168 404538768 /nfs/dbraw/zinc/53/87/68/404538768.db2.gz AAMMOMSQNGIUJR-UHFFFAOYSA-N 1 3 312.502 2.234 20 0 DEADHO C[C@@H]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)[C@@H](C)C1 ZINC000414195348 404543697 /nfs/dbraw/zinc/54/36/97/404543697.db2.gz NZWHIQVFZFBJFG-FGTMMUONSA-N 1 3 323.525 2.197 20 0 DEADHO CC(C)N1CCN(CCC[NH+]2CCC(c3ncc[nH]3)CC2)CC1 ZINC000351336161 404555944 /nfs/dbraw/zinc/55/59/44/404555944.db2.gz ZCUIHUQDULHKMV-UHFFFAOYSA-N 1 3 319.497 2.005 20 0 DEADHO CC[C@@H](C)N[C@@H](CNC(=O)NCC[N@H+](C)C(C)C)c1ccco1 ZINC000352722210 404574262 /nfs/dbraw/zinc/57/42/62/404574262.db2.gz OCAKAJXOIUKINM-CABCVRRESA-N 1 3 324.469 2.348 20 0 DEADHO CC[C@@H](C)N[C@@H](CNC(=O)NCC[N@@H+](C)C(C)C)c1ccco1 ZINC000352722210 404574264 /nfs/dbraw/zinc/57/42/64/404574264.db2.gz OCAKAJXOIUKINM-CABCVRRESA-N 1 3 324.469 2.348 20 0 DEADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H](CO)[C@H]3CCCOC3)CC2)C1 ZINC000414555758 404678085 /nfs/dbraw/zinc/67/80/85/404678085.db2.gz MKAUJIJRWQCZEU-NEPXVJNWSA-N 1 3 324.509 2.407 20 0 DEADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H](CO)[C@H]3CCCOC3)CC2)C1 ZINC000414555758 404678086 /nfs/dbraw/zinc/67/80/86/404678086.db2.gz MKAUJIJRWQCZEU-NEPXVJNWSA-N 1 3 324.509 2.407 20 0 DEADHO CC[N@@H+](Cc1ccccc1C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414669873 404704090 /nfs/dbraw/zinc/70/40/90/404704090.db2.gz CCZHRPXXHXUEIZ-INIZCTEOSA-N 1 3 303.450 2.014 20 0 DEADHO CC[N@H+](Cc1ccccc1C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414669873 404704094 /nfs/dbraw/zinc/70/40/94/404704094.db2.gz CCZHRPXXHXUEIZ-INIZCTEOSA-N 1 3 303.450 2.014 20 0 DEADHO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCCN(C(=O)CN)C2)c1 ZINC000414672804 404704957 /nfs/dbraw/zinc/70/49/57/404704957.db2.gz HYVFLNPQUIKUJH-WMZOPIPTSA-N 1 3 315.461 2.329 20 0 DEADHO Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H]2CCCN(C(=O)CN)C2)c1 ZINC000414672804 404704960 /nfs/dbraw/zinc/70/49/60/404704960.db2.gz HYVFLNPQUIKUJH-WMZOPIPTSA-N 1 3 315.461 2.329 20 0 DEADHO C[NH2+]CCc1nc(-c2cccc(CN3CCCCC3)c2)no1 ZINC000414613948 404692006 /nfs/dbraw/zinc/69/20/06/404692006.db2.gz FKPQULPXUQFDNL-UHFFFAOYSA-N 1 3 300.406 2.484 20 0 DEADHO Cc1nn(-c2ccncc2)cc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414768034 404728626 /nfs/dbraw/zinc/72/86/26/404728626.db2.gz KSBSIJNVYASUOB-IYBDPMFKSA-N 1 3 311.433 2.007 20 0 DEADHO COc1cccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1OC ZINC000414773658 404730654 /nfs/dbraw/zinc/73/06/54/404730654.db2.gz APKFWTQVISQGLG-WBVHZDCISA-N 1 3 320.433 2.032 20 0 DEADHO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCCC[C@H]1CN ZINC000414803247 404739207 /nfs/dbraw/zinc/73/92/07/404739207.db2.gz NKDRMZVDAVNFHV-MDZLAQPJSA-N 1 3 315.259 2.141 20 0 DEADHO C[C@H](Cn1cc(Br)cn1)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000414803247 404739209 /nfs/dbraw/zinc/73/92/09/404739209.db2.gz NKDRMZVDAVNFHV-MDZLAQPJSA-N 1 3 315.259 2.141 20 0 DEADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@@H](N)C(C)C ZINC000414802828 404739596 /nfs/dbraw/zinc/73/95/96/404739596.db2.gz VZURKISNIFJGKS-CYBMUJFWSA-N 1 3 320.389 2.301 20 0 DEADHO NC[C@H]1CCC[C@@H]1[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000414813652 404740464 /nfs/dbraw/zinc/74/04/64/404740464.db2.gz YOGWLFMXYYFQMR-MJGOQNOKSA-N 1 3 301.478 2.411 20 0 DEADHO C[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000357819524 404744252 /nfs/dbraw/zinc/74/42/52/404744252.db2.gz DBAJZOLSNWTVMF-BRWVUGGUSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000357819524 404744254 /nfs/dbraw/zinc/74/42/54/404744254.db2.gz DBAJZOLSNWTVMF-BRWVUGGUSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C1=CCN(C)CC1 ZINC000357863423 404746514 /nfs/dbraw/zinc/74/65/14/404746514.db2.gz RKIDGIYTCHQAQS-AWEZNQCLSA-N 1 3 322.497 2.199 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)NC[C@]2(C)CCC[NH2+]C2)c1 ZINC000414918559 404766141 /nfs/dbraw/zinc/76/61/41/404766141.db2.gz UVOBXLGGROBFIE-KBXCAEBGSA-N 1 3 319.449 2.392 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@]2(C)CCCNC2)c1 ZINC000414918559 404766143 /nfs/dbraw/zinc/76/61/43/404766143.db2.gz UVOBXLGGROBFIE-KBXCAEBGSA-N 1 3 319.449 2.392 20 0 DEADHO C[C@@H]1CCNC[C@H]1[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000414931128 404768734 /nfs/dbraw/zinc/76/87/34/404768734.db2.gz PNYRWOZTURIIBJ-VQIMIIECSA-N 1 3 301.478 2.281 20 0 DEADHO C[C@H]1C[C@@H](CN2CCN(C(=O)C3CCCCC3)CC2)CC[NH2+]1 ZINC000414696013 404710404 /nfs/dbraw/zinc/71/04/04/404710404.db2.gz VEHZGTCMPBJACN-HOTGVXAUSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414697191 404710441 /nfs/dbraw/zinc/71/04/41/404710441.db2.gz BROJMOSVKNOBLS-RYRKJORJSA-N 1 3 315.461 2.062 20 0 DEADHO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414697191 404710443 /nfs/dbraw/zinc/71/04/43/404710443.db2.gz BROJMOSVKNOBLS-RYRKJORJSA-N 1 3 315.461 2.062 20 0 DEADHO C[C@H]1C[C@@H](CN2CCN(CC(F)(F)F)CC2(C)C)CC[NH2+]1 ZINC000414707399 404713625 /nfs/dbraw/zinc/71/36/25/404713625.db2.gz HUTCEURFHCQICX-STQMWFEESA-N 1 3 307.404 2.333 20 0 DEADHO C[C@H](CCC[NH3+])NCc1cc2c(cc1Br)OCO2 ZINC000415019340 404789629 /nfs/dbraw/zinc/78/96/29/404789629.db2.gz ICFPEFBSBQUTOC-SECBINFHSA-N 1 3 315.211 2.395 20 0 DEADHO C[N@@H+](CC(c1ccc(F)cc1)c1ccc(F)cc1)C[C@@H](O)CN ZINC000415069983 404800373 /nfs/dbraw/zinc/80/03/73/404800373.db2.gz PXRBMSRLRSZITK-KRWDZBQOSA-N 1 3 320.383 2.348 20 0 DEADHO C[N@H+](CC(c1ccc(F)cc1)c1ccc(F)cc1)C[C@@H](O)CN ZINC000415069983 404800375 /nfs/dbraw/zinc/80/03/75/404800375.db2.gz PXRBMSRLRSZITK-KRWDZBQOSA-N 1 3 320.383 2.348 20 0 DEADHO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000415076006 404802439 /nfs/dbraw/zinc/80/24/39/404802439.db2.gz CECGGURTOXZZGD-BZUAXINKSA-N 1 3 309.498 2.378 20 0 DEADHO COc1ccsc1CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415125075 404813484 /nfs/dbraw/zinc/81/34/84/404813484.db2.gz NQJFPDJVCMWZFV-DZGCQCFKSA-N 1 3 310.463 2.475 20 0 DEADHO [NH3+]CC1(O)CCN(Cc2cc(Cl)cc3cccnc32)CC1 ZINC000415136215 404816830 /nfs/dbraw/zinc/81/68/30/404816830.db2.gz CHTPHICDBNLWMQ-UHFFFAOYSA-N 1 3 305.809 2.174 20 0 DEADHO CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000353442632 404832192 /nfs/dbraw/zinc/83/21/92/404832192.db2.gz SQTGPKCLPIRMKC-UAGQMJEPSA-N 1 3 303.450 2.456 20 0 DEADHO COCCN1CC[C@H](NC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000358729941 404773262 /nfs/dbraw/zinc/77/32/62/404773262.db2.gz ZJGHWPSOCXPMNV-NEWSRXKRSA-N 1 3 323.525 2.340 20 0 DEADHO COC(=O)c1ccc(CN2CCCC3(CC[NH+](C)CC3)C2)o1 ZINC000366951962 404879168 /nfs/dbraw/zinc/87/91/68/404879168.db2.gz KYTKIVQIZXSJAD-UHFFFAOYSA-N 1 3 306.406 2.374 20 0 DEADHO CC(C)N1CCN(c2cccc(NC(=O)CC[C@@H](C)[NH3+])c2)CC1 ZINC000423834784 404881668 /nfs/dbraw/zinc/88/16/68/404881668.db2.gz CVUHGKQZRXGTES-OAHLLOKOSA-N 1 3 318.465 2.283 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000366784052 404847185 /nfs/dbraw/zinc/84/71/85/404847185.db2.gz BQZCQEOGBRJLCN-CVEARBPZSA-N 1 3 301.434 2.057 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000366784052 404847189 /nfs/dbraw/zinc/84/71/89/404847189.db2.gz BQZCQEOGBRJLCN-CVEARBPZSA-N 1 3 301.434 2.057 20 0 DEADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415886688 404962153 /nfs/dbraw/zinc/96/21/53/404962153.db2.gz VRVBAJUCOJVPJZ-AWEZNQCLSA-N 1 3 316.449 2.138 20 0 DEADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415886688 404962160 /nfs/dbraw/zinc/96/21/60/404962160.db2.gz VRVBAJUCOJVPJZ-AWEZNQCLSA-N 1 3 316.449 2.138 20 0 DEADHO C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000415895214 404963653 /nfs/dbraw/zinc/96/36/53/404963653.db2.gz MWRNPWHECLBVFI-KRWDZBQOSA-N 1 3 316.449 2.280 20 0 DEADHO O=C(c1cccc(CN2CCCC2)c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435241063 404964617 /nfs/dbraw/zinc/96/46/17/404964617.db2.gz RVNBADYIURSQEN-GOSISDBHSA-N 1 3 313.445 2.249 20 0 DEADHO C[C@H](CC(=O)Nc1ccc2c(c1)CNCCO2)[C@@H]1CCC[NH2+]C1 ZINC000361093893 404913293 /nfs/dbraw/zinc/91/32/93/404913293.db2.gz DEHSQASUPHTGBO-ZIAGYGMSSA-N 1 3 317.433 2.133 20 0 DEADHO CCCN(C(=O)NC[C@H](c1ccccc1)N(C)C)[C@H]1CC[NH2+]C1 ZINC000416800727 404915896 /nfs/dbraw/zinc/91/58/96/404915896.db2.gz GAFZNZONUVGUOR-DLBZAZTESA-N 1 3 318.465 2.073 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000353697525 404925902 /nfs/dbraw/zinc/92/59/02/404925902.db2.gz FBIRIDKVVCNZMJ-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000353697525 404925933 /nfs/dbraw/zinc/92/59/33/404925933.db2.gz FBIRIDKVVCNZMJ-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H](CCC[NH3+])NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000416835674 404928108 /nfs/dbraw/zinc/92/81/08/404928108.db2.gz FUJQWBDWAOCRSV-UONOGXRCSA-N 1 3 324.494 2.312 20 0 DEADHO CCN(CC)[C@H](CNC(=O)NC1CC[NH2+]CC1)c1ccccc1 ZINC000416833090 404928340 /nfs/dbraw/zinc/92/83/40/404928340.db2.gz CENIZMFRJQXESJ-QGZVFWFLSA-N 1 3 318.465 2.121 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H](C)C[NH3+])c1ccccc1 ZINC000416840293 404930411 /nfs/dbraw/zinc/93/04/11/404930411.db2.gz LABNPYDNOIFXRH-GDBMZVCRSA-N 1 3 306.454 2.058 20 0 DEADHO CCN1CCC(NC(=O)N(CCC[NH3+])CC2CCCC2)CC1 ZINC000416851932 404935818 /nfs/dbraw/zinc/93/58/18/404935818.db2.gz LUCHYRRHFGAOHN-UHFFFAOYSA-N 1 3 310.486 2.021 20 0 DEADHO CN(C(=O)c1cccc(CN2CCCC2)c1)[C@H](C[NH3+])C1CC1 ZINC000423964010 404950176 /nfs/dbraw/zinc/95/01/76/404950176.db2.gz WJRDKRGMSUCVCP-QGZVFWFLSA-N 1 3 301.434 2.092 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2C[C@@H](C)NC[C@@H]2C)C1 ZINC000417042584 405015854 /nfs/dbraw/zinc/01/58/54/405015854.db2.gz LRUBAGIKBYKNIR-TWMKSMIVSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2C[C@@H](C)NC[C@@H]2C)C1 ZINC000417042584 405015861 /nfs/dbraw/zinc/01/58/61/405015861.db2.gz LRUBAGIKBYKNIR-TWMKSMIVSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@H]1CCN(C(=O)NCc2cccc(CN(C)C)c2)[C@H](C[NH3+])C1 ZINC000417068133 405024585 /nfs/dbraw/zinc/02/45/85/405024585.db2.gz MZSGPQQCBYAEFM-YOEHRIQHSA-N 1 3 318.465 2.017 20 0 DEADHO COCC1(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)CCC1 ZINC000361338720 405029319 /nfs/dbraw/zinc/02/93/19/405029319.db2.gz HNRWMKYERJRDPQ-UHFFFAOYSA-N 1 3 323.525 2.153 20 0 DEADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000415926131 404974063 /nfs/dbraw/zinc/97/40/63/404974063.db2.gz YUCTUCRCWOJTBM-DZGCQCFKSA-N 1 3 304.438 2.400 20 0 DEADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2cc(C)no2)[C@H](C)C1 ZINC000353995945 404989526 /nfs/dbraw/zinc/98/95/26/404989526.db2.gz MJXZIEJKGIUKAE-RHSMWYFYSA-N 1 3 309.454 2.252 20 0 DEADHO CCOCCC[N@H+]1CC[C@@H](NCCc2cc(C)no2)[C@H](C)C1 ZINC000353995945 404989530 /nfs/dbraw/zinc/98/95/30/404989530.db2.gz MJXZIEJKGIUKAE-RHSMWYFYSA-N 1 3 309.454 2.252 20 0 DEADHO C[NH2+]Cc1ccc(NC(=O)N[C@H](C)C2=CCN(C)CC2)cc1 ZINC000415980832 404993694 /nfs/dbraw/zinc/99/36/94/404993694.db2.gz HTIXEGCRXVYIBV-CYBMUJFWSA-N 1 3 302.422 2.178 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)CNC3)[C@@H](C)C1 ZINC000415986073 404996140 /nfs/dbraw/zinc/99/61/40/404996140.db2.gz AQDGNNOIUWQTHZ-GUYCJALGSA-N 1 3 316.449 2.484 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)CNC3)[C@@H](C)C1 ZINC000415986073 404996141 /nfs/dbraw/zinc/99/61/41/404996141.db2.gz AQDGNNOIUWQTHZ-GUYCJALGSA-N 1 3 316.449 2.484 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000417015765 405001339 /nfs/dbraw/zinc/00/13/39/405001339.db2.gz FWTXTJLZROJHTQ-WBVHZDCISA-N 1 3 322.497 2.034 20 0 DEADHO CCN1CCCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416157280 405041082 /nfs/dbraw/zinc/04/10/82/405041082.db2.gz IHJCHEIZKVPPHP-QGZVFWFLSA-N 1 3 303.450 2.234 20 0 DEADHO COC(=O)CC1CC([NH2+]Cc2ccccc2OCCN(C)C)C1 ZINC000424260715 405051450 /nfs/dbraw/zinc/05/14/50/405051450.db2.gz BLVJGVUCWSGRBS-UHFFFAOYSA-N 1 3 320.433 2.058 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCNC(=O)CCCc1ccccc1 ZINC000424379046 405077611 /nfs/dbraw/zinc/07/76/11/405077611.db2.gz OHSNUIWAUKIART-ZWKOTPCHSA-N 1 3 317.477 2.233 20 0 DEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCNC(=O)CCCc1ccccc1 ZINC000424379046 405077617 /nfs/dbraw/zinc/07/76/17/405077617.db2.gz OHSNUIWAUKIART-ZWKOTPCHSA-N 1 3 317.477 2.233 20 0 DEADHO C[C@@H](CNC(=O)N(CCC[NH3+])CC1CCCC1)N(C)C1CC1 ZINC000417551055 405091871 /nfs/dbraw/zinc/09/18/71/405091871.db2.gz NJAYSHPFWWQVQL-AWEZNQCLSA-N 1 3 310.486 2.020 20 0 DEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000361560641 405130518 /nfs/dbraw/zinc/13/05/18/405130518.db2.gz AMTNJWBVTDGRLU-OWCLPIDISA-N 1 3 310.486 2.033 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000354264983 405130737 /nfs/dbraw/zinc/13/07/37/405130737.db2.gz IVSWHNYCZQNZQV-BBWFWOEESA-N 1 3 309.498 2.345 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000354264983 405130743 /nfs/dbraw/zinc/13/07/43/405130743.db2.gz IVSWHNYCZQNZQV-BBWFWOEESA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](NC(=O)N1CCNC(C)(C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417990783 405107987 /nfs/dbraw/zinc/10/79/87/405107987.db2.gz KVCXVJYUIIDYLQ-HUUCEWRRSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](NC(=O)N1CCNC(C)(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000417990783 405107991 /nfs/dbraw/zinc/10/79/91/405107991.db2.gz KVCXVJYUIIDYLQ-HUUCEWRRSA-N 1 3 322.497 2.033 20 0 DEADHO CC(C)([NH3+])CNC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000418174198 405116708 /nfs/dbraw/zinc/11/67/08/405116708.db2.gz QZTJTUJDYGIQHO-UHFFFAOYSA-N 1 3 310.486 2.069 20 0 DEADHO COc1c[nH+]ccc1N1CCN(CC2(O)CCC(C)CC2)CC1 ZINC000361530709 405118899 /nfs/dbraw/zinc/11/88/99/405118899.db2.gz KQCIIEINKPVAIE-UHFFFAOYSA-N 1 3 319.449 2.153 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000418356304 405124013 /nfs/dbraw/zinc/12/40/13/405124013.db2.gz PXCIMBIKAUPPDC-AEFFLSMTSA-N 1 3 318.465 2.190 20 0 DEADHO CN(C)[C@H]1CCCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000418669603 405160330 /nfs/dbraw/zinc/16/03/30/405160330.db2.gz JLQUWXVCEFLOAL-IRXDYDNUSA-N 1 3 318.465 2.202 20 0 DEADHO C[C@@H]1C[C@H]1N1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C[C@@H](C)C1 ZINC000452119291 405179805 /nfs/dbraw/zinc/17/98/05/405179805.db2.gz HFGDJDNCNINXOW-XWTMOSNGSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H]1C[C@H]1N1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)C[C@@H](C)C1 ZINC000452119291 405179807 /nfs/dbraw/zinc/17/98/07/405179807.db2.gz HFGDJDNCNINXOW-XWTMOSNGSA-N 1 3 321.509 2.440 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC000437127419 405184009 /nfs/dbraw/zinc/18/40/09/405184009.db2.gz QHUQKBQNWHNXMS-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC000437127419 405184011 /nfs/dbraw/zinc/18/40/11/405184011.db2.gz QHUQKBQNWHNXMS-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO O=C(CC1CCCC1)N1CCCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420302350 405311687 /nfs/dbraw/zinc/31/16/87/405311687.db2.gz JSKQQNVVXQLXOW-SFHVURJKSA-N 1 3 321.509 2.491 20 0 DEADHO C[C@@H](c1cccnc1)N1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420308634 405313967 /nfs/dbraw/zinc/31/39/67/405313967.db2.gz DCZWSNCRZZECOV-DLBZAZTESA-N 1 3 302.466 2.150 20 0 DEADHO Fc1ccc(F)c(N2CCN(CC[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000420311098 405314715 /nfs/dbraw/zinc/31/47/15/405314715.db2.gz GSTSLYOTSZQEIK-CQSZACIVSA-N 1 3 309.404 2.477 20 0 DEADHO C[N@H+](CCOc1ccccc1Br)[C@H](CN)C1CC1 ZINC000420315341 405315939 /nfs/dbraw/zinc/31/59/39/405315939.db2.gz LWLLBPLAZNOYOX-CYBMUJFWSA-N 1 3 313.239 2.497 20 0 DEADHO C[N@@H+](CCOc1ccccc1Br)[C@H](CN)C1CC1 ZINC000420315341 405315941 /nfs/dbraw/zinc/31/59/41/405315941.db2.gz LWLLBPLAZNOYOX-CYBMUJFWSA-N 1 3 313.239 2.497 20 0 DEADHO O=C1Nc2ccccc2CC[C@@H]1N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420319518 405317458 /nfs/dbraw/zinc/31/74/58/405317458.db2.gz AKCASQQRGYWFFT-BQFCYCMXSA-N 1 3 313.445 2.261 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN(C[C@H]2CCOC2)C2CC2)cc1 ZINC000420322869 405319586 /nfs/dbraw/zinc/31/95/86/405319586.db2.gz SPDDODBZJVFNJW-GDBMZVCRSA-N 1 3 304.434 2.238 20 0 DEADHO C[C@H](C(=O)Nc1cccc(F)c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420332157 405322858 /nfs/dbraw/zinc/32/28/58/405322858.db2.gz CRRDHPATLZBEPW-RBSFLKMASA-N 1 3 319.424 2.474 20 0 DEADHO CN(CC1CCCCC1)C(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420339990 405325239 /nfs/dbraw/zinc/32/52/39/405325239.db2.gz ZOUFQRLOMRNQQO-QZTJIDSGSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420343188 405326494 /nfs/dbraw/zinc/32/64/94/405326494.db2.gz RKUJZBKSAOXAMF-OVYGPGRDSA-N 1 3 307.482 2.001 20 0 DEADHO COC(=O)CC1(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000440785370 405326487 /nfs/dbraw/zinc/32/64/87/405326487.db2.gz WUQAPSGKQRBDPK-GOEBONIOSA-N 1 3 306.450 2.278 20 0 DEADHO COC(=O)CC1(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000440785370 405326488 /nfs/dbraw/zinc/32/64/88/405326488.db2.gz WUQAPSGKQRBDPK-GOEBONIOSA-N 1 3 306.450 2.278 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)NCC2([NH+](C)C)CCCCC2)CN1C1CC1 ZINC000440792665 405327300 /nfs/dbraw/zinc/32/73/00/405327300.db2.gz TYGGBHLVOKVLGD-LSDHHAIUSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCCCOc1ccc2c(c1)OCO2 ZINC000420381245 405339230 /nfs/dbraw/zinc/33/92/30/405339230.db2.gz ZCGGHMOGSSJVJO-IIYDPXPESA-N 1 3 306.406 2.160 20 0 DEADHO C[C@H](c1ccc(F)cc1)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420386569 405340517 /nfs/dbraw/zinc/34/05/17/405340517.db2.gz VAOBUIRRYYAEHN-MLGOLLRUSA-N 1 3 303.385 2.274 20 0 DEADHO C[C@@H]1CCN(CCc2nc(-c3ccccc3)no2)C[C@H]1C[NH3+] ZINC000420390727 405341509 /nfs/dbraw/zinc/34/15/09/405341509.db2.gz AGGHTZLZFQYSRL-UKRRQHHQSA-N 1 3 300.406 2.196 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426331421 405351762 /nfs/dbraw/zinc/35/17/62/405351762.db2.gz RUSSQXIMUVEIFU-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCC1(N(C)C)CCC1 ZINC000445859943 405359237 /nfs/dbraw/zinc/35/92/37/405359237.db2.gz TWKLFSOQQMLFEH-MRXNPFEDSA-N 1 3 324.513 2.425 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCC1(N(C)C)CCC1 ZINC000445859943 405359241 /nfs/dbraw/zinc/35/92/41/405359241.db2.gz TWKLFSOQQMLFEH-MRXNPFEDSA-N 1 3 324.513 2.425 20 0 DEADHO CN(C)CCOc1cccc(NC(=O)NC(C)(C)C[NH+](C)C)c1 ZINC000454490778 405353309 /nfs/dbraw/zinc/35/33/09/405353309.db2.gz ZAXYUSSOWSXBFQ-UHFFFAOYSA-N 1 3 322.453 2.089 20 0 DEADHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000439788369 405292809 /nfs/dbraw/zinc/29/28/09/405292809.db2.gz IEHSJRRKWUNBDR-OIISXLGYSA-N 1 3 307.482 2.238 20 0 DEADHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000439788369 405292812 /nfs/dbraw/zinc/29/28/12/405292812.db2.gz IEHSJRRKWUNBDR-OIISXLGYSA-N 1 3 307.482 2.238 20 0 DEADHO CN(C[C@H]1CCCN1C)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000420766179 405380807 /nfs/dbraw/zinc/38/08/07/405380807.db2.gz RMYYBWVGMAFWNF-QGZVFWFLSA-N 1 3 324.513 2.377 20 0 DEADHO CN(C[C@H]1CCCN1C)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000420766179 405380808 /nfs/dbraw/zinc/38/08/08/405380808.db2.gz RMYYBWVGMAFWNF-QGZVFWFLSA-N 1 3 324.513 2.377 20 0 DEADHO CCN1CCC([N@@H+]2CCCN(CCCOC(C)C)CC2)CC1 ZINC000420983979 405421319 /nfs/dbraw/zinc/42/13/19/405421319.db2.gz RSEPWZQJMKFIFY-UHFFFAOYSA-N 1 3 311.514 2.294 20 0 DEADHO CCN1CCC([N@H+]2CCCN(CCCOC(C)C)CC2)CC1 ZINC000420983979 405421321 /nfs/dbraw/zinc/42/13/21/405421321.db2.gz RSEPWZQJMKFIFY-UHFFFAOYSA-N 1 3 311.514 2.294 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NCCCCC[NH+]2CCCC2)CCCN1C ZINC000454797563 405377466 /nfs/dbraw/zinc/37/74/66/405377466.db2.gz XWYGBSXJDRVMIT-CVEARBPZSA-N 1 3 310.486 2.034 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@]3(C)CC=CCC3)CC2)CC1 ZINC000448835875 405454103 /nfs/dbraw/zinc/45/41/03/405454103.db2.gz NXUGYKNEGAXVAM-IBGZPJMESA-N 1 3 319.493 2.408 20 0 DEADHO C[NH2+]CCCC(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1 ZINC000430702471 405492387 /nfs/dbraw/zinc/49/23/87/405492387.db2.gz HWIXYMLYFPIBFO-SFHVURJKSA-N 1 3 317.477 2.185 20 0 DEADHO C[NH2+]CCCC(=O)NC[C@H](C(C)C)N1CCc2ccccc2C1 ZINC000430702470 405492465 /nfs/dbraw/zinc/49/24/65/405492465.db2.gz HWIXYMLYFPIBFO-GOSISDBHSA-N 1 3 317.477 2.185 20 0 DEADHO C[C@H](C(=O)N(C)c1ccccc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431015393 405561046 /nfs/dbraw/zinc/56/10/46/405561046.db2.gz UDMPKCMETYIIHL-OAHLLOKOSA-N 1 3 301.434 2.113 20 0 DEADHO C[C@H](C(=O)NC[C@H]1[NH2+]CCCC1(C)C)[C@@H](N)c1ccccc1 ZINC000430735413 405501866 /nfs/dbraw/zinc/50/18/66/405501866.db2.gz YYKHXCOKSVPXOC-NUEKZKHPSA-N 1 3 303.450 2.217 20 0 DEADHO C[C@@H](CNC(=O)[C@H](CN)c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000430749783 405503628 /nfs/dbraw/zinc/50/36/28/405503628.db2.gz XIWPMTSYRDBXOZ-HLLBOEOZSA-N 1 3 303.450 2.108 20 0 DEADHO C[C@@H](CNC(=O)[C@H](CN)c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000430749783 405503636 /nfs/dbraw/zinc/50/36/36/405503636.db2.gz XIWPMTSYRDBXOZ-HLLBOEOZSA-N 1 3 303.450 2.108 20 0 DEADHO CN1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH2+]2)[C@H]1c1cccs1 ZINC000430812211 405511475 /nfs/dbraw/zinc/51/14/75/405511475.db2.gz UZNUYOPTMRPOCU-DZKIICNBSA-N 1 3 321.490 2.389 20 0 DEADHO Cc1ccccc1CNC(=O)[C@H](C)N1CCC([C@H](C)[NH3+])CC1 ZINC000430921163 405527856 /nfs/dbraw/zinc/52/78/56/405527856.db2.gz XHILATKIRFIHFY-GJZGRUSLSA-N 1 3 303.450 2.059 20 0 DEADHO C[NH2+]CC1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000430925986 405528825 /nfs/dbraw/zinc/52/88/25/405528825.db2.gz MSNMBHJSZKLUIG-GJZGRUSLSA-N 1 3 303.450 2.184 20 0 DEADHO Cc1ccccc1CCNC(=O)[C@@H](C)N1CCC([C@@H](C)[NH3+])CC1 ZINC000430953527 405543033 /nfs/dbraw/zinc/54/30/33/405543033.db2.gz BZTGSLJZLBGVJC-HZPDHXFCSA-N 1 3 317.477 2.101 20 0 DEADHO C[C@H]([NH3+])C1CCN(CC(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000430955147 405545403 /nfs/dbraw/zinc/54/54/03/405545403.db2.gz YKTMDRXLBVGTHU-HNNXBMFYSA-N 1 3 315.461 2.237 20 0 DEADHO CC[N@H+](C)Cc1cccc(CNC[C@H](OC)[C@H]2CCOC2)c1 ZINC000638563197 405548537 /nfs/dbraw/zinc/54/85/37/405548537.db2.gz JKTVQUOIVONJFJ-ROUUACIJSA-N 1 3 306.450 2.279 20 0 DEADHO CC[N@@H+](C)Cc1cccc(CNC[C@H](OC)[C@H]2CCOC2)c1 ZINC000638563197 405548541 /nfs/dbraw/zinc/54/85/41/405548541.db2.gz JKTVQUOIVONJFJ-ROUUACIJSA-N 1 3 306.450 2.279 20 0 DEADHO C[C@@H]([NH3+])C1CCN([C@@H](C)C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000430968142 405551553 /nfs/dbraw/zinc/55/15/53/405551553.db2.gz XDHOYASYZDAQAE-OLZOCXBDSA-N 1 3 323.868 2.404 20 0 DEADHO C[C@H]1CN(CCCC[NH2+]Cc2cccc(F)c2N)C[C@H](C)O1 ZINC000638681420 405614210 /nfs/dbraw/zinc/61/42/10/405614210.db2.gz LSGASAVEEZDGFM-KBPBESRZSA-N 1 3 309.429 2.387 20 0 DEADHO C[NH+](C)[C@@H](CC(=O)NC1CCN(C2CC2)CC1)c1ccccc1 ZINC000431506280 405634406 /nfs/dbraw/zinc/63/44/06/405634406.db2.gz MMNXWKVBXVTRCV-SFHVURJKSA-N 1 3 315.461 2.422 20 0 DEADHO CC(C)N1CC[C@H](N(C)C(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000458835963 405619495 /nfs/dbraw/zinc/61/94/95/405619495.db2.gz AUWZFXWQTPFOOG-KRWDZBQOSA-N 1 3 324.513 2.377 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000458784866 405590927 /nfs/dbraw/zinc/59/09/27/405590927.db2.gz KGHUXPGJCHJJAI-JKSUJKDBSA-N 1 3 324.513 2.233 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000458784866 405590933 /nfs/dbraw/zinc/59/09/33/405590933.db2.gz KGHUXPGJCHJJAI-JKSUJKDBSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](CC(=O)Nc1ccc2c(c1)OCCNC2)C1CC[NH2+]CC1 ZINC000638665222 405602529 /nfs/dbraw/zinc/60/25/29/405602529.db2.gz AKOSEMDBCVQBHL-ZDUSSCGKSA-N 1 3 317.433 2.133 20 0 DEADHO CC1CC[NH+](CCCNC(=O)C[C@H](N)Cc2ccccc2)CC1 ZINC000580186248 405602622 /nfs/dbraw/zinc/60/26/22/405602622.db2.gz NTVJJKLVNMYDCY-GOSISDBHSA-N 1 3 317.477 2.185 20 0 DEADHO CO[C@H](CNC1CC[NH+](C2CCCC2)CC1)C1CCOCC1 ZINC000638735047 405640312 /nfs/dbraw/zinc/64/03/12/405640312.db2.gz NGPVQZGQDYUDPB-GOSISDBHSA-N 1 3 310.482 2.425 20 0 DEADHO CO[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)C1CCOCC1 ZINC000638735047 405640324 /nfs/dbraw/zinc/64/03/24/405640324.db2.gz NGPVQZGQDYUDPB-GOSISDBHSA-N 1 3 310.482 2.425 20 0 DEADHO CC[C@H](C)[C@H](CNC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)OC ZINC000638747152 405647178 /nfs/dbraw/zinc/64/71/78/405647178.db2.gz BCNMZQZOZCQNFY-DKIMLUQUSA-N 1 3 312.498 2.405 20 0 DEADHO CN(CCCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422757036 405679494 /nfs/dbraw/zinc/67/94/94/405679494.db2.gz JEYOHVMISYTDDE-CEXWTWQISA-N 1 3 317.477 2.260 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1CCCN1C ZINC000431770700 405673027 /nfs/dbraw/zinc/67/30/27/405673027.db2.gz LSPJWOBXYQFPOW-BBWFWOEESA-N 1 3 324.513 2.280 20 0 DEADHO C(CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)COC1CCCCC1 ZINC000422780976 405682129 /nfs/dbraw/zinc/68/21/29/405682129.db2.gz IDIDYUOVHYSSJL-FGTMMUONSA-N 1 3 310.482 2.473 20 0 DEADHO CC(C)[C@H](O)CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422791995 405682206 /nfs/dbraw/zinc/68/22/06/405682206.db2.gz YZLZTZQISJIBRP-NUJGCVRESA-N 1 3 304.434 2.239 20 0 DEADHO CC[C@H]([NH2+]CCN1CCc2ccccc2C1=O)[C@H]1CCCCN1 ZINC000423076771 405700075 /nfs/dbraw/zinc/70/00/75/405700075.db2.gz ZRTCRQUMORBHCL-ZWKOTPCHSA-N 1 3 315.461 2.195 20 0 DEADHO CC[C@@H]([NH3+])C(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000638832010 405700806 /nfs/dbraw/zinc/70/08/06/405700806.db2.gz ONYBSTOQKYPENR-CHWSQXEVSA-N 1 3 317.355 2.162 20 0 DEADHO C[C@H](C[C@@H]1COCCN1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423094979 405701751 /nfs/dbraw/zinc/70/17/51/405701751.db2.gz LDMOPJWAEZOEHT-JFIYKMOQSA-N 1 3 309.498 2.140 20 0 DEADHO C[C@H](C[C@@H]1COCCN1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000423094979 405701759 /nfs/dbraw/zinc/70/17/59/405701759.db2.gz LDMOPJWAEZOEHT-JFIYKMOQSA-N 1 3 309.498 2.140 20 0 DEADHO COc1ccc(C2(CN[C@H]3CCC[C@@H]3[NH3+])CCOCC2)cc1 ZINC000422897907 405691565 /nfs/dbraw/zinc/69/15/65/405691565.db2.gz KPEJBHLBWVDMTA-IRXDYDNUSA-N 1 3 304.434 2.213 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000422891512 405692044 /nfs/dbraw/zinc/69/20/44/405692044.db2.gz VMYMJWVVXFFLNI-PVAVHDDUSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)(CCO)CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422990944 405693233 /nfs/dbraw/zinc/69/32/33/405693233.db2.gz CCCUUTFAGHZIDU-MAUKXSAKSA-N 1 3 304.434 2.241 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+][C@@H]2C[C@H](O)C2(C)C)CC1 ZINC000494438995 405696294 /nfs/dbraw/zinc/69/62/94/405696294.db2.gz YGJAXKGTPYWDNK-MSOLQXFVSA-N 1 3 317.477 2.078 20 0 DEADHO COc1ccc([C@H](CO)CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423172991 405710834 /nfs/dbraw/zinc/71/08/34/405710834.db2.gz WJMAWCJKCFWXBX-WZGPROSRSA-N 1 3 318.461 2.281 20 0 DEADHO CC(C)C[C@H](N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000638835966 405704402 /nfs/dbraw/zinc/70/44/02/405704402.db2.gz OMNLETNLHQACOZ-SZMVWBNQSA-N 1 3 317.477 2.244 20 0 DEADHO CC(C)C[C@H](N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000638835966 405704409 /nfs/dbraw/zinc/70/44/09/405704409.db2.gz OMNLETNLHQACOZ-SZMVWBNQSA-N 1 3 317.477 2.244 20 0 DEADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CCCCN1 ZINC000638837093 405704523 /nfs/dbraw/zinc/70/45/23/405704523.db2.gz XWUYLVAFURQORO-CGTJXYLNSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CCCCN1 ZINC000638837093 405704527 /nfs/dbraw/zinc/70/45/27/405704527.db2.gz XWUYLVAFURQORO-CGTJXYLNSA-N 1 3 315.461 2.013 20 0 DEADHO Cc1cc(Cl)cc2c1OCCC[C@H]2NCCN1CC[NH2+]CC1 ZINC000423200653 405720888 /nfs/dbraw/zinc/72/08/88/405720888.db2.gz GEBIIJJIZXAMDO-MRXNPFEDSA-N 1 3 323.868 2.357 20 0 DEADHO C[C@H]([NH3+])CC(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638851385 405713799 /nfs/dbraw/zinc/71/37/99/405713799.db2.gz JLNGLXKSNNERJZ-RDJZCZTQSA-N 1 3 303.450 2.285 20 0 DEADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NC[C@H](C)N(C)C ZINC000459049148 405714963 /nfs/dbraw/zinc/71/49/63/405714963.db2.gz YSMDGBXQIVDLGA-XHSDSOJGSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@H](CC(=O)N(C)c1ccccc1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000423324799 405761308 /nfs/dbraw/zinc/76/13/08/405761308.db2.gz IZQYVDGIVWQXCD-QAPCUYQASA-N 1 3 303.450 2.407 20 0 DEADHO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423324799 405761312 /nfs/dbraw/zinc/76/13/12/405761312.db2.gz IZQYVDGIVWQXCD-QAPCUYQASA-N 1 3 303.450 2.407 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)N(C)C)cc1 ZINC000423299903 405751735 /nfs/dbraw/zinc/75/17/35/405751735.db2.gz CPVNXNOHMNDMEQ-QGTPRVQTSA-N 1 3 317.477 2.356 20 0 DEADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](N)C2CC2)c2ccccc21 ZINC000423325614 405762513 /nfs/dbraw/zinc/76/25/13/405762513.db2.gz QIQTZGMFAZAGLY-IKGGRYGDSA-N 1 3 302.418 2.495 20 0 DEADHO C[NH2+]CCc1ccccc1C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000423322474 405759966 /nfs/dbraw/zinc/75/99/66/405759966.db2.gz IPIRSVDPGXOMKI-HZPDHXFCSA-N 1 3 317.477 2.441 20 0 DEADHO C[C@@H](N[C@@H]1CC[NH2+][C@H](C)C1)c1cccc(OCCN(C)C)c1 ZINC000423372741 405782211 /nfs/dbraw/zinc/78/22/11/405782211.db2.gz IRGKJYSILSZGIZ-BFYDXBDKSA-N 1 3 305.466 2.418 20 0 DEADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(-n2cnnn2)cc1 ZINC000423383012 405785077 /nfs/dbraw/zinc/78/50/77/405785077.db2.gz KFBDEOGMPITMIA-CYBMUJFWSA-N 1 3 320.400 2.116 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423398270 405790463 /nfs/dbraw/zinc/79/04/63/405790463.db2.gz UGVFJDOSWNSQET-MELADBBJSA-N 1 3 305.422 2.272 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000423398270 405790477 /nfs/dbraw/zinc/79/04/77/405790477.db2.gz UGVFJDOSWNSQET-MELADBBJSA-N 1 3 305.422 2.272 20 0 DEADHO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H](N)CC2CCCCC2)C1 ZINC000423430119 405803048 /nfs/dbraw/zinc/80/30/48/405803048.db2.gz HWTFXOIOALFUCZ-IAGOWNOFSA-N 1 3 309.498 2.474 20 0 DEADHO Cn1cncc1CC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000530460187 405807334 /nfs/dbraw/zinc/80/73/34/405807334.db2.gz RZNJERZXDWVYKW-YZGWKJHDSA-N 1 3 324.472 2.463 20 0 DEADHO Cn1cncc1CCN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000530460187 405807341 /nfs/dbraw/zinc/80/73/41/405807341.db2.gz RZNJERZXDWVYKW-YZGWKJHDSA-N 1 3 324.472 2.463 20 0 DEADHO Cn1cncc1CCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000530460187 405807348 /nfs/dbraw/zinc/80/73/48/405807348.db2.gz RZNJERZXDWVYKW-YZGWKJHDSA-N 1 3 324.472 2.463 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000639001923 405812667 /nfs/dbraw/zinc/81/26/67/405812667.db2.gz RJHHLCSHKJEJBZ-ROUUACIJSA-N 1 3 315.461 2.075 20 0 DEADHO OC1CCC([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000423474984 405817327 /nfs/dbraw/zinc/81/73/27/405817327.db2.gz PMSRKTYKRHEGBA-IWCVFHTOSA-N 1 3 306.425 2.412 20 0 DEADHO CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@H]1CNCCCO1 ZINC000423495770 405826398 /nfs/dbraw/zinc/82/63/98/405826398.db2.gz VLPONVFIDICBON-MSOLQXFVSA-N 1 3 306.450 2.196 20 0 DEADHO C[C@@H]1[C@@H](NC[C@H]2C[NH2+]CCCO2)CCCN1Cc1ccccc1 ZINC000423495245 405826628 /nfs/dbraw/zinc/82/66/28/405826628.db2.gz UFDHQILSSMTOOC-QRQLOZEOSA-N 1 3 317.477 2.008 20 0 DEADHO C[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(OCc2nccn2C)cc1 ZINC000423328775 405764277 /nfs/dbraw/zinc/76/42/77/405764277.db2.gz SHDLNBZBONEXRY-SUMWQHHRSA-N 1 3 314.433 2.387 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)N(C)C)cc1 ZINC000423348793 405771561 /nfs/dbraw/zinc/77/15/61/405771561.db2.gz UZXKAGNKPFRFRA-XIRDDKMYSA-N 1 3 303.450 2.102 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)N(C)C)cc1 ZINC000423348792 405771650 /nfs/dbraw/zinc/77/16/50/405771650.db2.gz UZXKAGNKPFRFRA-UAGQMJEPSA-N 1 3 303.450 2.102 20 0 DEADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H](N)C2CCC2)c1 ZINC000423357485 405774578 /nfs/dbraw/zinc/77/45/78/405774578.db2.gz IDAPLMXPQLSGTC-QGZVFWFLSA-N 1 3 303.450 2.270 20 0 DEADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H](N)C2CCC2)c1 ZINC000423357485 405774587 /nfs/dbraw/zinc/77/45/87/405774587.db2.gz IDAPLMXPQLSGTC-QGZVFWFLSA-N 1 3 303.450 2.270 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000494852148 405774947 /nfs/dbraw/zinc/77/49/47/405774947.db2.gz YPZIEQOZPWOGGG-IAGOWNOFSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000494852148 405774953 /nfs/dbraw/zinc/77/49/53/405774953.db2.gz YPZIEQOZPWOGGG-IAGOWNOFSA-N 1 3 309.498 2.299 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)C1CCC1 ZINC000457541834 405889949 /nfs/dbraw/zinc/88/99/49/405889949.db2.gz UCKDEUBFCMKOKI-NVXWUHKLSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)C1CCC1 ZINC000457541834 405889955 /nfs/dbraw/zinc/88/99/55/405889955.db2.gz UCKDEUBFCMKOKI-NVXWUHKLSA-N 1 3 309.498 2.297 20 0 DEADHO CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@H]1CCCN1C1CC1 ZINC000495182937 405832661 /nfs/dbraw/zinc/83/26/61/405832661.db2.gz ISRKWVQKQIOMAT-QGZVFWFLSA-N 1 3 307.482 2.336 20 0 DEADHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@H]1CCCN1C1CC1 ZINC000495182937 405832667 /nfs/dbraw/zinc/83/26/67/405832667.db2.gz ISRKWVQKQIOMAT-QGZVFWFLSA-N 1 3 307.482 2.336 20 0 DEADHO C[C@@H]1C[C@@H](NC[C@H](Cc2ccccc2Cl)C(N)=O)CC[N@@H+]1C ZINC000639042018 405838085 /nfs/dbraw/zinc/83/80/85/405838085.db2.gz RYXZNQXNNPGRRG-SNPRPXQTSA-N 1 3 323.868 2.056 20 0 DEADHO C[C@@H]1C[C@@H](NC[C@H](Cc2ccccc2Cl)C(N)=O)CC[N@H+]1C ZINC000639042018 405838088 /nfs/dbraw/zinc/83/80/88/405838088.db2.gz RYXZNQXNNPGRRG-SNPRPXQTSA-N 1 3 323.868 2.056 20 0 DEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)CN2CCC(C)(C)C2)C1 ZINC000561155438 405897240 /nfs/dbraw/zinc/89/72/40/405897240.db2.gz KOBJNUVKGOSKDI-INIZCTEOSA-N 1 3 309.498 2.347 20 0 DEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)CN2CCC(C)(C)C2)C1 ZINC000561155438 405897244 /nfs/dbraw/zinc/89/72/44/405897244.db2.gz KOBJNUVKGOSKDI-INIZCTEOSA-N 1 3 309.498 2.347 20 0 DEADHO C[N@@H+](Cc1ccccc1)CC1CCN(C[C@@H]2COCCO2)CC1 ZINC000450347564 405848434 /nfs/dbraw/zinc/84/84/34/405848434.db2.gz PSUYTFBBNBIRCC-LJQANCHMSA-N 1 3 318.461 2.246 20 0 DEADHO C[N@H+](Cc1ccccc1)CC1CCN(C[C@@H]2COCCO2)CC1 ZINC000450347564 405848444 /nfs/dbraw/zinc/84/84/44/405848444.db2.gz PSUYTFBBNBIRCC-LJQANCHMSA-N 1 3 318.461 2.246 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000530842241 405867933 /nfs/dbraw/zinc/86/79/33/405867933.db2.gz PXTICFNTUJXWNK-HNNXBMFYSA-N 1 3 311.857 2.399 20 0 DEADHO CC(C)[N@H+](C)CC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000530842241 405867938 /nfs/dbraw/zinc/86/79/38/405867938.db2.gz PXTICFNTUJXWNK-HNNXBMFYSA-N 1 3 311.857 2.399 20 0 DEADHO CC(C)[N@@H+](C)CC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000530842241 405867945 /nfs/dbraw/zinc/86/79/45/405867945.db2.gz PXTICFNTUJXWNK-HNNXBMFYSA-N 1 3 311.857 2.399 20 0 DEADHO COC(=O)[C@](C)(CNC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000459494276 405928369 /nfs/dbraw/zinc/92/83/69/405928369.db2.gz JCEKDJJHNOTPCJ-LJQANCHMSA-N 1 3 316.445 2.334 20 0 DEADHO CN1CCN(CC[NH2+]CCc2ccc(Cl)cc2)CC1(C)C ZINC000459517600 405938691 /nfs/dbraw/zinc/93/86/91/405938691.db2.gz CEQFNLDWALXHCF-UHFFFAOYSA-N 1 3 309.885 2.498 20 0 DEADHO C[C@](C[NH3+])(NCCC(=O)NCc1ccccc1Cl)C1CC1 ZINC000433501172 405954353 /nfs/dbraw/zinc/95/43/53/405954353.db2.gz CTTRDOYWQUGALQ-MRXNPFEDSA-N 1 3 309.841 2.063 20 0 DEADHO C[C@H]1CCC[N@H+](CCNC(=O)c2ccccc2CN(C)C)C1 ZINC000433220012 405903008 /nfs/dbraw/zinc/90/30/08/405903008.db2.gz OJZNNPYORILDDD-HNNXBMFYSA-N 1 3 303.450 2.210 20 0 DEADHO C[C@H]1CCC[N@@H+](CCNC(=O)c2ccccc2CN(C)C)C1 ZINC000433220012 405903017 /nfs/dbraw/zinc/90/30/17/405903017.db2.gz OJZNNPYORILDDD-HNNXBMFYSA-N 1 3 303.450 2.210 20 0 DEADHO CC(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000423800334 405977233 /nfs/dbraw/zinc/97/72/33/405977233.db2.gz LKIMCNZTNQBGQW-HZMVEIRTSA-N 1 3 307.482 2.144 20 0 DEADHO CC1CCC(N2CCN(C(=O)NC[C@@H]3CCCC[NH2+]3)CC2)CC1 ZINC000634260423 406072734 /nfs/dbraw/zinc/07/27/34/406072734.db2.gz SHUGORSXTQIRJI-CGZBRXJRSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NC1CCN(c2cccnn2)CC1 ZINC000567639698 406110796 /nfs/dbraw/zinc/11/07/96/406110796.db2.gz LYKVRCZGKGLKBJ-DOTOQJQBSA-N 1 3 317.481 2.346 20 0 DEADHO NC(=O)c1cccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000567648391 406112338 /nfs/dbraw/zinc/11/23/38/406112338.db2.gz LCVGPTPUJPJSQJ-OKZBNKHCSA-N 1 3 315.461 2.228 20 0 DEADHO CC(C)(C[NH2+]C[C@@H](O)COc1ccccc1)CN1CCCC1 ZINC000567699978 406121802 /nfs/dbraw/zinc/12/18/02/406121802.db2.gz BPMSAYIZOZQRLC-MRXNPFEDSA-N 1 3 306.450 2.138 20 0 DEADHO CCN1CCN(CCCC[NH2+]C/C=C\c2ccncc2)CC1 ZINC000486958949 406193714 /nfs/dbraw/zinc/19/37/14/406193714.db2.gz QMXJCMLWNIQOHI-WAYWQWQTSA-N 1 3 302.466 2.102 20 0 DEADHO O=C(CC[N@@H+]1CCCN(c2ccncc2)CC1)NC1CCCC1 ZINC000639682211 406204205 /nfs/dbraw/zinc/20/42/05/406204205.db2.gz NBVOTWPKANHANJ-UHFFFAOYSA-N 1 3 316.449 2.043 20 0 DEADHO O=C(CC[N@H+]1CCCN(c2ccncc2)CC1)NC1CCCC1 ZINC000639682211 406204209 /nfs/dbraw/zinc/20/42/09/406204209.db2.gz NBVOTWPKANHANJ-UHFFFAOYSA-N 1 3 316.449 2.043 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCC[C@H]3C)CC2)CC1 ZINC000569375869 406247050 /nfs/dbraw/zinc/24/70/50/406247050.db2.gz GHFLOWXHPKXFTA-QAPCUYQASA-N 1 3 321.509 2.488 20 0 DEADHO CCOCC[C@H](O)C[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000634724856 406249216 /nfs/dbraw/zinc/24/92/16/406249216.db2.gz YVOALJIMTZYDNT-WDSOQIARSA-N 1 3 320.477 2.132 20 0 DEADHO CCOCC[C@H](O)CNC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000634724856 406249218 /nfs/dbraw/zinc/24/92/18/406249218.db2.gz YVOALJIMTZYDNT-WDSOQIARSA-N 1 3 320.477 2.132 20 0 DEADHO CCOCC[C@H](O)CNC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000634724856 406249226 /nfs/dbraw/zinc/24/92/26/406249226.db2.gz YVOALJIMTZYDNT-WDSOQIARSA-N 1 3 320.477 2.132 20 0 DEADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000520403278 406288635 /nfs/dbraw/zinc/28/86/35/406288635.db2.gz RMOYEVYHUYPPPA-AWEZNQCLSA-N 1 3 318.465 2.017 20 0 DEADHO Cc1nc(COc2ccc(C[N@@H+](C)CCCN(C)C)cc2)no1 ZINC000520460042 406294788 /nfs/dbraw/zinc/29/47/88/406294788.db2.gz UWKUPCABBUARQB-UHFFFAOYSA-N 1 3 318.421 2.341 20 0 DEADHO Cc1nc(COc2ccc(C[N@H+](C)CCCN(C)C)cc2)no1 ZINC000520460042 406294795 /nfs/dbraw/zinc/29/47/95/406294795.db2.gz UWKUPCABBUARQB-UHFFFAOYSA-N 1 3 318.421 2.341 20 0 DEADHO CC[C@H]1CN(C(=O)N[C@@H](CC(C)C)CN2CCCC2)CC[C@@H]1[NH3+] ZINC000632914291 406317667 /nfs/dbraw/zinc/31/76/67/406317667.db2.gz GMHRYGJZQPAZKC-ULQDDVLXSA-N 1 3 324.513 2.266 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000637518653 406336822 /nfs/dbraw/zinc/33/68/22/406336822.db2.gz PTHDIYKDWCHCGM-IRXDYDNUSA-N 1 3 318.465 2.251 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)NCCC[NH2+]C(C)C ZINC000569794214 406303395 /nfs/dbraw/zinc/30/33/95/406303395.db2.gz HEIVCGCIXVPEQE-UHFFFAOYSA-N 1 3 312.502 2.282 20 0 DEADHO OCC1(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCCC1 ZINC000569801858 406304571 /nfs/dbraw/zinc/30/45/71/406304571.db2.gz JHZIMMFMYDYAKJ-VQIMIIECSA-N 1 3 316.445 2.385 20 0 DEADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000522145779 406394783 /nfs/dbraw/zinc/39/47/83/406394783.db2.gz WRHIQCQHNSVTBV-OAHLLOKOSA-N 1 3 323.868 2.182 20 0 DEADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000522145779 406394787 /nfs/dbraw/zinc/39/47/87/406394787.db2.gz WRHIQCQHNSVTBV-OAHLLOKOSA-N 1 3 323.868 2.182 20 0 DEADHO C[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1cncc(F)c1 ZINC000635009248 406398796 /nfs/dbraw/zinc/39/87/96/406398796.db2.gz MSDANCWCVGPLPW-LBPRGKRZSA-N 1 3 301.369 2.198 20 0 DEADHO CN1CC[C@H]2CCN(C(=O)CC[N@H+](C)C3CCCCC3)[C@H]2C1 ZINC000548064217 406475462 /nfs/dbraw/zinc/47/54/62/406475462.db2.gz ZWTUKWMZBRJNHY-RDJZCZTQSA-N 1 3 307.482 2.194 20 0 DEADHO CN1CC[C@H]2CCN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@H]2C1 ZINC000548064217 406475468 /nfs/dbraw/zinc/47/54/68/406475468.db2.gz ZWTUKWMZBRJNHY-RDJZCZTQSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635449825 406542867 /nfs/dbraw/zinc/54/28/67/406542867.db2.gz IWOJDSGBVXZMQW-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO O=C(Nc1ccc2c(c1F)CCNC2)C12CCC[NH+](CCC1)C2 ZINC000638224350 406635516 /nfs/dbraw/zinc/63/55/16/406635516.db2.gz KYDXMRBXQXNQCD-UHFFFAOYSA-N 1 3 317.408 2.286 20 0 DEADHO C[C@@H]1CCC[N@H+](CCNCCC(=O)Nc2cccc(F)c2)C1 ZINC000551431426 406620536 /nfs/dbraw/zinc/62/05/36/406620536.db2.gz VSCIZWKFNHEZDA-CQSZACIVSA-N 1 3 307.413 2.476 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCNCCC(=O)Nc2cccc(F)c2)C1 ZINC000551431426 406620541 /nfs/dbraw/zinc/62/05/41/406620541.db2.gz VSCIZWKFNHEZDA-CQSZACIVSA-N 1 3 307.413 2.476 20 0 DEADHO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)[C@H]1CCCCCN1 ZINC000572499531 406682306 /nfs/dbraw/zinc/68/23/06/406682306.db2.gz HLKDAVCHFLAMTN-GFCCVEGCSA-N 1 3 308.451 2.081 20 0 DEADHO CN(C(=O)C1(C[NH+](C)C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000635689641 406683316 /nfs/dbraw/zinc/68/33/16/406683316.db2.gz MGGQWJJVEXAMIC-QGZVFWFLSA-N 1 3 315.461 2.061 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](CN[C@H](c2cn[nH]n2)c2ccc(F)cc2)C1 ZINC000572510857 406684116 /nfs/dbraw/zinc/68/41/16/406684116.db2.gz XZNCVQZRNLVHMM-PEYYIBSZSA-N 1 3 303.385 2.140 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](CN[C@@H](c2cn[nH]n2)c2ccc(F)cc2)C1 ZINC000572510858 406684377 /nfs/dbraw/zinc/68/43/77/406684377.db2.gz XZNCVQZRNLVHMM-SGIREYDYSA-N 1 3 303.385 2.140 20 0 DEADHO CC[C@@H](CNC(=O)/C=C\C[NH+](C)C)N1CCc2ccccc2C1 ZINC000491642059 406647033 /nfs/dbraw/zinc/64/70/33/406647033.db2.gz MBIOHDZQMGQUKS-VOCYLRNQSA-N 1 3 315.461 2.057 20 0 DEADHO CC[NH+](CC)Cc1cccc(CNC[C@]2(OC)CCOC2)c1 ZINC000638380985 406738050 /nfs/dbraw/zinc/73/80/50/406738050.db2.gz GLADDSAHHLGQIS-GOSISDBHSA-N 1 3 306.450 2.424 20 0 DEADHO CCOc1ccccc1C[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000638405769 406753290 /nfs/dbraw/zinc/75/32/90/406753290.db2.gz BATSVRDUYFZTNA-UHFFFAOYSA-N 1 3 306.450 2.410 20 0 DEADHO C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000527799661 406754598 /nfs/dbraw/zinc/75/45/98/406754598.db2.gz LCBYSUNUAVWGDL-DOTOQJQBSA-N 1 3 322.497 2.034 20 0 DEADHO C[N@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000527799661 406754600 /nfs/dbraw/zinc/75/46/00/406754600.db2.gz LCBYSUNUAVWGDL-DOTOQJQBSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NC1CC(OCc2ccccc2)C1 ZINC000572868791 406755824 /nfs/dbraw/zinc/75/58/24/406755824.db2.gz GEKXQMOGFZGBBG-MRJKQPQPSA-N 1 3 304.434 2.076 20 0 DEADHO CN(CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)CC(C)(C)C ZINC000638340089 406710584 /nfs/dbraw/zinc/71/05/84/406710584.db2.gz CALULUORRRNVJI-JKSUJKDBSA-N 1 3 321.440 2.057 20 0 DEADHO CC[C@](C)(C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)OC ZINC000638366027 406727409 /nfs/dbraw/zinc/72/74/09/406727409.db2.gz GANVNFQFRRAGNN-LJQANCHMSA-N 1 3 319.493 2.339 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)[C@@H](C)[NH3+] ZINC000646105924 406783387 /nfs/dbraw/zinc/78/33/87/406783387.db2.gz MDBSMRGAKOZYEO-NJAFHUGGSA-N 1 3 317.477 2.339 20 0 DEADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)[C@H]1CC12CC2 ZINC000527871795 406775791 /nfs/dbraw/zinc/77/57/91/406775791.db2.gz UEFYTHDEDGVQRK-RHSMWYFYSA-N 1 3 315.461 2.256 20 0 DEADHO CN(C)[C@@]1(CNC(=O)CC[C@@H]([NH3+])c2ccccc2)CCSC1 ZINC000646151440 406801392 /nfs/dbraw/zinc/80/13/92/406801392.db2.gz QIPJWTLPNBETFT-NVXWUHKLSA-N 1 3 321.490 2.020 20 0 DEADHO COc1ccc(CN2CC[C@@H]2CN[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000527972363 406801964 /nfs/dbraw/zinc/80/19/64/406801964.db2.gz WPXSSOCDYZGFAC-KBAYOESNSA-N 1 3 317.477 2.342 20 0 DEADHO COc1ccc(CN2CC[C@@H]2CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000527972363 406801969 /nfs/dbraw/zinc/80/19/69/406801969.db2.gz WPXSSOCDYZGFAC-KBAYOESNSA-N 1 3 317.477 2.342 20 0 DEADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc2c(c1)CNC2 ZINC000646427715 406863316 /nfs/dbraw/zinc/86/33/16/406863316.db2.gz LKDVUAAROLBINP-CYBMUJFWSA-N 1 3 301.434 2.092 20 0 DEADHO CCCc1nc(C)c(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)o1 ZINC000641797398 406894627 /nfs/dbraw/zinc/89/46/27/406894627.db2.gz BKRJQEIBLHNEGR-PBHICJAKSA-N 1 3 307.438 2.264 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+]CCCC2(O)CCC2)cc1 ZINC000643295537 406976349 /nfs/dbraw/zinc/97/63/49/406976349.db2.gz ZDZJKNPARWYLKL-UHFFFAOYSA-N 1 3 306.450 2.412 20 0 DEADHO CO[C@H](CC(C)C)CN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000642699169 406932551 /nfs/dbraw/zinc/93/25/51/406932551.db2.gz YVAGXYKODRDQNN-ZWKOTPCHSA-N 1 3 311.514 2.148 20 0 DEADHO CO[C@H](CC(C)C)CN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000642699169 406932552 /nfs/dbraw/zinc/93/25/52/406932552.db2.gz YVAGXYKODRDQNN-ZWKOTPCHSA-N 1 3 311.514 2.148 20 0 DEADHO CO[C@H](CC(C)C)CN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000642699167 406932573 /nfs/dbraw/zinc/93/25/73/406932573.db2.gz YVAGXYKODRDQNN-QZTJIDSGSA-N 1 3 311.514 2.148 20 0 DEADHO CO[C@H](CC(C)C)CN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000642699167 406932575 /nfs/dbraw/zinc/93/25/75/406932575.db2.gz YVAGXYKODRDQNN-QZTJIDSGSA-N 1 3 311.514 2.148 20 0 DEADHO C[C@H]([NH3+])CNC(=O)c1ccccc1OCCN1CCCC[C@H]1C ZINC000647022050 406942591 /nfs/dbraw/zinc/94/25/91/406942591.db2.gz UIWHLNFJNHQRIJ-LSDHHAIUSA-N 1 3 319.449 2.017 20 0 DEADHO C[C@@H](N[C@@H]1CCC[NH2+]CC1)c1cccc(N2CCOCC2)c1 ZINC000643521670 407010120 /nfs/dbraw/zinc/01/01/20/407010120.db2.gz UJZQQXWNXTTYHO-NVXWUHKLSA-N 1 3 303.450 2.316 20 0 DEADHO COc1cc(NC(C)=O)ccc1[C@@H](C)N[C@H]1CC12CC[NH2+]CC2 ZINC000643536808 407012641 /nfs/dbraw/zinc/01/26/41/407012641.db2.gz WVVBMJIFFWVJMV-PXAZEXFGSA-N 1 3 317.433 2.446 20 0 DEADHO OC1(C(F)(F)F)CCC([NH2+][C@@H]2CCNC3(CCC3)C2)CC1 ZINC000643545719 407013201 /nfs/dbraw/zinc/01/32/01/407013201.db2.gz BGYXYFCDRGDNLC-MBHSVXNSSA-N 1 3 306.372 2.487 20 0 DEADHO Cc1nn(C)c(N(C)C)c1CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543489 407017596 /nfs/dbraw/zinc/01/75/96/407017596.db2.gz OIDJYXCRRXZEBV-CVEARBPZSA-N 1 3 319.497 2.006 20 0 DEADHO C[C@H]1C[NH2+]C[C@H](NC2CCN(C(=O)c3ccccc3F)CC2)C1 ZINC000647549416 407018428 /nfs/dbraw/zinc/01/84/28/407018428.db2.gz YKVYUMPTPIKRDA-UKRRQHHQSA-N 1 3 319.424 2.018 20 0 DEADHO COc1ccc([C@@H](CC(C)C)NC[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000647300022 406984244 /nfs/dbraw/zinc/98/42/44/406984244.db2.gz OWOYRNSNVMAERA-QZTJIDSGSA-N 1 3 306.450 2.439 20 0 DEADHO COc1ccc([C@@H](CC(C)C)NC[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000647300022 406984245 /nfs/dbraw/zinc/98/42/45/406984245.db2.gz OWOYRNSNVMAERA-QZTJIDSGSA-N 1 3 306.450 2.439 20 0 DEADHO CCCN(Cc1ccc(OCCN(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC000647492716 407007006 /nfs/dbraw/zinc/00/70/06/407007006.db2.gz UZVBPOJLEMUIMX-QGZVFWFLSA-N 1 3 305.466 2.201 20 0 DEADHO CN(C)CCOc1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000647487442 407007107 /nfs/dbraw/zinc/00/71/07/407007107.db2.gz KAWBGRGFKPXKJQ-JWTNVVGKSA-N 1 3 317.477 2.342 20 0 DEADHO COc1cccc([C@H]2C[C@H](N[C@@H]3CCOC[C@H]3[C@H](C)[NH3+])C2)c1 ZINC000643493363 407007659 /nfs/dbraw/zinc/00/76/59/407007659.db2.gz JZNCTKAXRPVJJR-GIVGJKMXSA-N 1 3 304.434 2.283 20 0 DEADHO COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@H](C)N)C2)c1 ZINC000643493363 407007661 /nfs/dbraw/zinc/00/76/61/407007661.db2.gz JZNCTKAXRPVJJR-GIVGJKMXSA-N 1 3 304.434 2.283 20 0 DEADHO C[C@@H](C(=O)N1CCC(C)CC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976515 407091443 /nfs/dbraw/zinc/09/14/43/407091443.db2.gz POYCGJNVAHHQIW-RCCFBDPRSA-N 1 3 321.509 2.345 20 0 DEADHO Fc1cccc(-n2ccc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)c1 ZINC000647980259 407093584 /nfs/dbraw/zinc/09/35/84/407093584.db2.gz YCPLDQFTHALRGK-GASCZTMLSA-N 1 3 314.408 2.443 20 0 DEADHO C[C@H]1C[C@H](CCNC(=O)CNC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000644156698 407097225 /nfs/dbraw/zinc/09/72/25/407097225.db2.gz LOALCLWBHUGYAH-RDJZCZTQSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H]1C[C@H](CCNC(=O)CNC2CC2)C[N@H+]1Cc1ccccc1 ZINC000644156698 407097228 /nfs/dbraw/zinc/09/72/28/407097228.db2.gz LOALCLWBHUGYAH-RDJZCZTQSA-N 1 3 315.461 2.155 20 0 DEADHO Cc1cc(C[NH+](C)C)cc(NC(=O)C2(N)Cc3ccccc3C2)c1 ZINC000648158173 407128415 /nfs/dbraw/zinc/12/84/15/407128415.db2.gz BBLRDJSSCDGOJU-UHFFFAOYSA-N 1 3 323.440 2.491 20 0 DEADHO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1F)C1=CCN(C)CC1 ZINC000644618574 407154089 /nfs/dbraw/zinc/15/40/89/407154089.db2.gz XCSJGPMOOOIWEG-CYBMUJFWSA-N 1 3 305.397 2.394 20 0 DEADHO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000645215393 407247975 /nfs/dbraw/zinc/24/79/75/407247975.db2.gz LBTGUVBUTUJJKM-CRAIPNDOSA-N 1 3 306.450 2.268 20 0 DEADHO C[C@H](CNC(=O)N[C@@H](C)CN1CCCCC1)[NH+]1CCC(C)CC1 ZINC000129025223 196012787 /nfs/dbraw/zinc/01/27/87/196012787.db2.gz OIRWTCPYXBCSJI-DLBZAZTESA-N 1 3 324.513 2.280 20 0 DEADHO CC[NH+](CC)CCCNC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000129044940 196015223 /nfs/dbraw/zinc/01/52/23/196015223.db2.gz BZBDLBZQJJIHSE-MRXNPFEDSA-N 1 3 312.502 2.138 20 0 DEADHO Cc1nn(C)c2ncc(CN3CCC(CC[NH+](C)C)CC3)cc12 ZINC000195432307 225206105 /nfs/dbraw/zinc/20/61/05/225206105.db2.gz KSLVIYZRNJZRAQ-UHFFFAOYSA-N 1 3 315.465 2.440 20 0 DEADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000417885272 229134456 /nfs/dbraw/zinc/13/44/56/229134456.db2.gz YDNYZDDRJGSXAS-WMLDXEAASA-N 1 3 322.497 2.020 20 0 DEADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1N1CCOCC1 ZINC000422691453 230168460 /nfs/dbraw/zinc/16/84/60/230168460.db2.gz IHDZAQSCMJBEBQ-SJORKVTESA-N 1 3 303.450 2.273 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCSCc1ccccc1F ZINC000422763568 230195351 /nfs/dbraw/zinc/19/53/51/230195351.db2.gz JGWVVGLLYIOHFF-DUVNUKRYSA-N 1 3 312.454 2.401 20 0 DEADHO CN(C)C(=O)c1cccc(CCN[C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422777384 230204673 /nfs/dbraw/zinc/20/46/73/230204673.db2.gz FMKKGRYZCSMMIO-IAGOWNOFSA-N 1 3 303.450 2.181 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000422871962 230252723 /nfs/dbraw/zinc/25/27/23/230252723.db2.gz FBSWWQRASXETQS-VNHYZAJKSA-N 1 3 308.857 2.291 20 0 DEADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)COc1ccc(F)cc1 ZINC000422902416 230268927 /nfs/dbraw/zinc/26/89/27/230268927.db2.gz UTUFLHJDYMKPMU-BZZMCLGOSA-N 1 3 322.424 2.076 20 0 DEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000422955878 230292848 /nfs/dbraw/zinc/29/28/48/230292848.db2.gz KCZRFSJESWYLBT-SJORKVTESA-N 1 3 315.461 2.463 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cccc(CN2CCCC2=O)c1 ZINC000422961510 230296193 /nfs/dbraw/zinc/29/61/93/230296193.db2.gz ZAELHEOPFYPLPE-MSOLQXFVSA-N 1 3 315.461 2.416 20 0 DEADHO [NH3+]CC1CCC(N[C@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000422959226 230296818 /nfs/dbraw/zinc/29/68/18/230296818.db2.gz RDDLSKWPPBBBID-PIMMBPRGSA-N 1 3 305.397 2.038 20 0 DEADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@@H]1CCCCN1 ZINC000422988470 230308420 /nfs/dbraw/zinc/30/84/20/230308420.db2.gz KPTXBWGODWEZBC-YJBOKZPZSA-N 1 3 302.466 2.418 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000423082066 230342562 /nfs/dbraw/zinc/34/25/62/230342562.db2.gz CJLRWOPVYXPGQY-ZYSHUDEJSA-N 1 3 317.477 2.245 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC(C)(C)CN(C)Cc2ccccc2)CC[N@@H+]1C ZINC000648839481 424915708 /nfs/dbraw/zinc/91/57/08/424915708.db2.gz CNNWPJGDXVOPNQ-NVXWUHKLSA-N 1 3 317.477 2.353 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC(C)(C)CN(C)Cc2ccccc2)CC[N@H+]1C ZINC000648839481 424915711 /nfs/dbraw/zinc/91/57/11/424915711.db2.gz CNNWPJGDXVOPNQ-NVXWUHKLSA-N 1 3 317.477 2.353 20 0 DEADHO CN(C)CCOc1cccc(N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000400941473 424923321 /nfs/dbraw/zinc/92/33/21/424923321.db2.gz CXYYXQXAPPNGBE-HLLBOEOZSA-N 1 3 303.450 2.427 20 0 DEADHO C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1nnc2n1CCCCC2 ZINC000400969174 424923500 /nfs/dbraw/zinc/92/35/00/424923500.db2.gz OMGZRULPNDHVQY-LJISPDSOSA-N 1 3 303.454 2.043 20 0 DEADHO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000648691231 424894412 /nfs/dbraw/zinc/89/44/12/424894412.db2.gz UUGSWYXAUVZOBM-AEFFLSMTSA-N 1 3 306.450 2.220 20 0 DEADHO CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000648691231 424894414 /nfs/dbraw/zinc/89/44/14/424894414.db2.gz UUGSWYXAUVZOBM-AEFFLSMTSA-N 1 3 306.450 2.220 20 0 DEADHO C[C@H](C[C@H]1CCC[NH2+]1)NCc1ccccc1OCCN(C)C ZINC000415086441 424949199 /nfs/dbraw/zinc/94/91/99/424949199.db2.gz SFTUFSURGHWBQC-NVXWUHKLSA-N 1 3 305.466 2.247 20 0 DEADHO CN1CCC[C@@H]([NH2+]C[C@@H](O)CN2CCCC2)c2ccccc21 ZINC000650198541 424962612 /nfs/dbraw/zinc/96/26/12/424962612.db2.gz PPDNAPUSEOHGTA-NVXWUHKLSA-N 1 3 303.450 2.004 20 0 DEADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649343099 424998296 /nfs/dbraw/zinc/99/82/96/424998296.db2.gz DEXZMCUXFWULBL-ZDUSSCGKSA-N 1 3 311.376 2.240 20 0 DEADHO CCCn1cc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cn1 ZINC000650706145 425038060 /nfs/dbraw/zinc/03/80/60/425038060.db2.gz FDKRIFBVYBBVJN-BBWFWOEESA-N 1 3 306.454 2.011 20 0 DEADHO CC(C)n1nccc1CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708324 425039801 /nfs/dbraw/zinc/03/98/01/425039801.db2.gz XWEWTQDTMPIOPT-UXLLHSPISA-N 1 3 306.454 2.182 20 0 DEADHO Fc1ccc([C@@H](NCCC2CC[NH2+]CC2)c2nnc[nH]2)cc1 ZINC000650762305 425049508 /nfs/dbraw/zinc/04/95/08/425049508.db2.gz ZLODXVSNBIFEOJ-OAHLLOKOSA-N 1 3 303.385 2.013 20 0 DEADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cc3cnccc3o2)CC1 ZINC000651705235 425144219 /nfs/dbraw/zinc/14/42/19/425144219.db2.gz MHIUJBJMZNIHKC-HNNXBMFYSA-N 1 3 316.449 2.191 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000651192583 425113279 /nfs/dbraw/zinc/11/32/79/425113279.db2.gz SPWGZJZJMSGTIH-KRWDZBQOSA-N 1 3 324.513 2.234 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000651192583 425113280 /nfs/dbraw/zinc/11/32/80/425113280.db2.gz SPWGZJZJMSGTIH-KRWDZBQOSA-N 1 3 324.513 2.234 20 0 DEADHO CN(C)[C@H](CNC(=O)C[NH2+]C1(C2CCC2)CC1)c1ccccc1 ZINC000649810536 425084226 /nfs/dbraw/zinc/08/42/26/425084226.db2.gz PGCNSQAFDIEYHZ-QGZVFWFLSA-N 1 3 315.461 2.328 20 0 DEADHO C[C@@H]([NH3+])c1ccc(CNCc2nc3c(s2)CNCC3)cc1 ZINC000663494061 425170428 /nfs/dbraw/zinc/17/04/28/425170428.db2.gz LPOAKEUNZKQQHI-LLVKDONJSA-N 1 3 302.447 2.098 20 0 DEADHO CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000666760870 425176519 /nfs/dbraw/zinc/17/65/19/425176519.db2.gz PBYKSHJYLDBYMD-SJORKVTESA-N 1 3 324.513 2.279 20 0 DEADHO C[C@H](CNC(=O)NC[C@@H]1CCN1C(C)(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000660641913 425187431 /nfs/dbraw/zinc/18/74/31/425187431.db2.gz LXPDUBPGPUUGCS-OAGGEKHMSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@H](CNC(=O)NC[C@@H]1CCN1C(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000660641913 425187434 /nfs/dbraw/zinc/18/74/34/425187434.db2.gz LXPDUBPGPUUGCS-OAGGEKHMSA-N 1 3 324.513 2.279 20 0 DEADHO NC(=O)c1csc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656785124 425188365 /nfs/dbraw/zinc/18/83/65/425188365.db2.gz JBIBNFTZVBFYMJ-CYBMUJFWSA-N 1 3 307.463 2.059 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](NCc2ccc(Cl)cc2-n2cncn2)C1 ZINC000666853881 425198045 /nfs/dbraw/zinc/19/80/45/425198045.db2.gz DGZNJYLKDYJYCE-KGLIPLIRSA-N 1 3 305.813 2.280 20 0 DEADHO CCC[N@H+](C)CC(C)(C)NC(=O)N[C@H](C)CN1CCCCC1 ZINC000663641219 425204156 /nfs/dbraw/zinc/20/41/56/425204156.db2.gz JQVMEZYHSWSPSP-OAHLLOKOSA-N 1 3 312.502 2.280 20 0 DEADHO CCC[N@@H+](C)CC(C)(C)NC(=O)N[C@H](C)CN1CCCCC1 ZINC000663641219 425204160 /nfs/dbraw/zinc/20/41/60/425204160.db2.gz JQVMEZYHSWSPSP-OAHLLOKOSA-N 1 3 312.502 2.280 20 0 DEADHO CCN1C[C@H](C[NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)CC1=O ZINC000652015441 425162787 /nfs/dbraw/zinc/16/27/87/425162787.db2.gz CXEMUSKUDVUDKO-RYRKJORJSA-N 1 3 321.509 2.488 20 0 DEADHO COC[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)C1CCOCC1 ZINC000663466912 425165028 /nfs/dbraw/zinc/16/50/28/425165028.db2.gz YHJSTINOIWGPGW-AEFFLSMTSA-N 1 3 310.482 2.140 20 0 DEADHO COC[C@H](NC[C@H]1CCC[N@H+](CC2CC2)C1)C1CCOCC1 ZINC000663466912 425165032 /nfs/dbraw/zinc/16/50/32/425165032.db2.gz YHJSTINOIWGPGW-AEFFLSMTSA-N 1 3 310.482 2.140 20 0 DEADHO COC[C@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)C1CCOCC1 ZINC000663466912 425165036 /nfs/dbraw/zinc/16/50/36/425165036.db2.gz YHJSTINOIWGPGW-AEFFLSMTSA-N 1 3 310.482 2.140 20 0 DEADHO COC[C@@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)C1CCOCC1 ZINC000663466914 425165262 /nfs/dbraw/zinc/16/52/62/425165262.db2.gz YHJSTINOIWGPGW-FUHWJXTLSA-N 1 3 310.482 2.140 20 0 DEADHO COC[C@@H](NC[C@@H]1CCC[N@H+](CC2CC2)C1)C1CCOCC1 ZINC000663466914 425165263 /nfs/dbraw/zinc/16/52/63/425165263.db2.gz YHJSTINOIWGPGW-FUHWJXTLSA-N 1 3 310.482 2.140 20 0 DEADHO COC[C@@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CCOCC1 ZINC000663466914 425165268 /nfs/dbraw/zinc/16/52/68/425165268.db2.gz YHJSTINOIWGPGW-FUHWJXTLSA-N 1 3 310.482 2.140 20 0 DEADHO O=C(NCCC1CC[NH2+]CC1)N1CCC[C@@H]1CN1CCCCC1 ZINC000652312794 425237663 /nfs/dbraw/zinc/23/76/63/425237663.db2.gz AJDYXMCLPVSKKT-QGZVFWFLSA-N 1 3 322.497 2.036 20 0 DEADHO CCc1noc(C)c1CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348669 425243270 /nfs/dbraw/zinc/24/32/70/425243270.db2.gz MLQUPDMERSCODD-GRDNDAEWSA-N 1 3 307.438 2.264 20 0 DEADHO NC[C@]12CCC[C@H]1C[N@H+](CCCOc1ccc3c(c1)OCO3)C2 ZINC000652351916 425244523 /nfs/dbraw/zinc/24/45/23/425244523.db2.gz IHVRPZRKZYXUJS-KSSFIOAISA-N 1 3 318.417 2.245 20 0 DEADHO NC[C@]12CCC[C@H]1C[N@@H+](CCCOc1ccc3c(c1)OCO3)C2 ZINC000652351916 425244528 /nfs/dbraw/zinc/24/45/28/425244528.db2.gz IHVRPZRKZYXUJS-KSSFIOAISA-N 1 3 318.417 2.245 20 0 DEADHO [NH3+]C[C@]12CCC[C@H]1CN(CCCOc1ccc3c(c1)OCO3)C2 ZINC000652351916 425244533 /nfs/dbraw/zinc/24/45/33/425244533.db2.gz IHVRPZRKZYXUJS-KSSFIOAISA-N 1 3 318.417 2.245 20 0 DEADHO NC[C@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1cc(F)cc(F)c1)C2 ZINC000652352137 425244729 /nfs/dbraw/zinc/24/47/29/425244729.db2.gz KGZFLRLXVNNAPO-SJCJKPOMSA-N 1 3 323.387 2.354 20 0 DEADHO NC[C@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)C2 ZINC000652352137 425244733 /nfs/dbraw/zinc/24/47/33/425244733.db2.gz KGZFLRLXVNNAPO-SJCJKPOMSA-N 1 3 323.387 2.354 20 0 DEADHO [NH3+]C[C@]12CCC[C@H]1CN(CCC(=O)Nc1cc(F)cc(F)c1)C2 ZINC000652352137 425244736 /nfs/dbraw/zinc/24/47/36/425244736.db2.gz KGZFLRLXVNNAPO-SJCJKPOMSA-N 1 3 323.387 2.354 20 0 DEADHO C[C@@H]1CN(CCN2CC[NH2+]CC2)CCc2ccc(Cl)cc21 ZINC000652353651 425245167 /nfs/dbraw/zinc/24/51/67/425245167.db2.gz YERWBSXSGHXAEI-CQSZACIVSA-N 1 3 307.869 2.207 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)N1CCC(C)CC1 ZINC000660846862 425254828 /nfs/dbraw/zinc/25/48/28/425254828.db2.gz KDMVDWADSLOJDM-HZPDHXFCSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)N1CCC(C)CC1 ZINC000660846862 425254833 /nfs/dbraw/zinc/25/48/33/425254833.db2.gz KDMVDWADSLOJDM-HZPDHXFCSA-N 1 3 324.513 2.279 20 0 DEADHO C[N@@H+]1CC[C@H](NC[C@]2(CO)CCc3ccccc32)[C@@H]2CCC[C@@H]21 ZINC000652227562 425218229 /nfs/dbraw/zinc/21/82/29/425218229.db2.gz JXDJVKXTKNZHGN-LEAZDLGRSA-N 1 3 314.473 2.325 20 0 DEADHO C[N@H+]1CC[C@H](NC[C@]2(CO)CCc3ccccc32)[C@@H]2CCC[C@@H]21 ZINC000652227562 425218231 /nfs/dbraw/zinc/21/82/31/425218231.db2.gz JXDJVKXTKNZHGN-LEAZDLGRSA-N 1 3 314.473 2.325 20 0 DEADHO C[NH+](C)CC1(CNC(=O)NC[C@H]2CCN2C(C)(C)C)CCCC1 ZINC000661080243 425315768 /nfs/dbraw/zinc/31/57/68/425315768.db2.gz KXOZHECDPNVHHK-OAHLLOKOSA-N 1 3 324.513 2.280 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000654385285 425339458 /nfs/dbraw/zinc/33/94/58/425339458.db2.gz CEMLIXWGBUXQDM-CVEARBPZSA-N 1 3 322.497 2.129 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000654385285 425339460 /nfs/dbraw/zinc/33/94/60/425339460.db2.gz CEMLIXWGBUXQDM-CVEARBPZSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)[C@@H](CNC(=O)NC[C@@H]1CCN1C(C)(C)C)[NH+]1CCCC1 ZINC000664003010 425285867 /nfs/dbraw/zinc/28/58/67/425285867.db2.gz DHZRAISFEFFCBA-JKSUJKDBSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1CCCN2CCCC[C@@H]12)C[NH+]1CCCC1 ZINC000654388493 425340272 /nfs/dbraw/zinc/34/02/72/425340272.db2.gz NUURIJMVVHDUND-IKGGRYGDSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C[C@H]3CCCNC3=O)CC2)C1 ZINC000657283079 425291820 /nfs/dbraw/zinc/29/18/20/425291820.db2.gz LSTWXSHQKUQLJL-BFYDXBDKSA-N 1 3 307.482 2.145 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000664043459 425294957 /nfs/dbraw/zinc/29/49/57/425294957.db2.gz KFVIVCDDEVAZNW-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000664043459 425294960 /nfs/dbraw/zinc/29/49/60/425294960.db2.gz KFVIVCDDEVAZNW-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO c1cc(O[C@H]2CCOC2)ccc1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000657306974 425297541 /nfs/dbraw/zinc/29/75/41/425297541.db2.gz FJJLVGBXRKZXKF-APWZRJJASA-N 1 3 316.445 2.428 20 0 DEADHO CN(C)CCC[N@H+](C)CCNc1ccc(Br)cn1 ZINC000664248491 425344804 /nfs/dbraw/zinc/34/48/04/425344804.db2.gz YXCDQVJRBLNYKZ-UHFFFAOYSA-N 1 3 315.259 2.140 20 0 DEADHO CN(C)CCC[N@@H+](C)CCNc1ccc(Br)cn1 ZINC000664248491 425344806 /nfs/dbraw/zinc/34/48/06/425344806.db2.gz YXCDQVJRBLNYKZ-UHFFFAOYSA-N 1 3 315.259 2.140 20 0 DEADHO CCCC[N@H+](C)CCNC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654440611 425353890 /nfs/dbraw/zinc/35/38/90/425353890.db2.gz OTNAEWMFXRZSAE-JKSUJKDBSA-N 1 3 310.486 2.034 20 0 DEADHO CCCC[N@@H+](C)CCNC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654440611 425353893 /nfs/dbraw/zinc/35/38/93/425353893.db2.gz OTNAEWMFXRZSAE-JKSUJKDBSA-N 1 3 310.486 2.034 20 0 DEADHO Cc1ccccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664317345 425358582 /nfs/dbraw/zinc/35/85/82/425358582.db2.gz YTBFGGWHICQHPD-HNNXBMFYSA-N 1 3 306.454 2.389 20 0 DEADHO Cc1ccccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664317345 425358586 /nfs/dbraw/zinc/35/85/86/425358586.db2.gz YTBFGGWHICQHPD-HNNXBMFYSA-N 1 3 306.454 2.389 20 0 DEADHO Cc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000664314110 425358779 /nfs/dbraw/zinc/35/87/79/425358779.db2.gz GAFPYRNBNAKOIL-HNNXBMFYSA-N 1 3 306.454 2.389 20 0 DEADHO Cc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000664314110 425358782 /nfs/dbraw/zinc/35/87/82/425358782.db2.gz GAFPYRNBNAKOIL-HNNXBMFYSA-N 1 3 306.454 2.389 20 0 DEADHO CCc1ncc(CNCC2CC[NH+](C3CCOCC3)CC2)cn1 ZINC000657537845 425358834 /nfs/dbraw/zinc/35/88/34/425358834.db2.gz USNRGWNWAJCGMW-UHFFFAOYSA-N 1 3 318.465 2.020 20 0 DEADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)C1 ZINC000653113112 425407590 /nfs/dbraw/zinc/40/75/90/425407590.db2.gz SXOZHIZBULIWIL-KBMXLJTQSA-N 1 3 307.482 2.144 20 0 DEADHO CC1CCC(N2CCN(C(=O)[C@@H]3CCC[NH2+]CC3)CC2)CC1 ZINC000653120419 425409881 /nfs/dbraw/zinc/40/98/81/425409881.db2.gz QJTJHMFAUAKFEE-AQFXKWCLSA-N 1 3 307.482 2.099 20 0 DEADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CCC[NH2+]CC2)C1 ZINC000653121773 425410621 /nfs/dbraw/zinc/41/06/21/425410621.db2.gz BMBMICDUENZRGH-ZWKOTPCHSA-N 1 3 315.461 2.109 20 0 DEADHO CN1CCC(C[NH2+][C@@H]2COC3(CCC3)C2)(N2CCCCC2)CC1 ZINC000657890147 425414711 /nfs/dbraw/zinc/41/47/11/425414711.db2.gz BZLLSVFUDCCTJU-KRWDZBQOSA-N 1 3 321.509 2.238 20 0 DEADHO C[C@@H](CN(C)CCC[NH+](C)C)NCC1=Cc2ccccc2OC1 ZINC000657573654 425368037 /nfs/dbraw/zinc/36/80/37/425368037.db2.gz NPNIVWNSMSWYEJ-INIZCTEOSA-N 1 3 317.477 2.324 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654566689 425384651 /nfs/dbraw/zinc/38/46/51/425384651.db2.gz LPZOQPIUAAGRHZ-HRCADAONSA-N 1 3 310.486 2.031 20 0 DEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654566689 425384656 /nfs/dbraw/zinc/38/46/56/425384656.db2.gz LPZOQPIUAAGRHZ-HRCADAONSA-N 1 3 310.486 2.031 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)N1CCCCC1 ZINC000653194557 425430792 /nfs/dbraw/zinc/43/07/92/425430792.db2.gz NFCFCCIYLDMMEP-BQFCYCMXSA-N 1 3 307.482 2.084 20 0 DEADHO C[C@@H]([NH2+][C@@H](CO)C1CCC1)c1ccc(OCCN(C)C)cc1 ZINC000658088444 425437029 /nfs/dbraw/zinc/43/70/29/425437029.db2.gz RYEYQMDEZKKWOI-KDOFPFPSSA-N 1 3 306.450 2.439 20 0 DEADHO COC[C@@H](CC(C)C)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658139878 425444610 /nfs/dbraw/zinc/44/46/10/425444610.db2.gz NGQPHDUEGVLIQB-RTBURBONSA-N 1 3 320.477 2.404 20 0 DEADHO NC1(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC1 ZINC000653253429 425445236 /nfs/dbraw/zinc/44/52/36/425445236.db2.gz UDXNAUMBRKFRAJ-UHFFFAOYSA-N 1 3 305.447 2.304 20 0 DEADHO CC(=O)N1CC[C@H](NCC[C@@H]([NH3+])C(C)C)c2ccccc2C1 ZINC000665282090 425536287 /nfs/dbraw/zinc/53/62/87/425536287.db2.gz QMLDOPPHMXNYQO-MSOLQXFVSA-N 1 3 303.450 2.443 20 0 DEADHO C[C@@H]1CCNC[C@H]1[NH2+]Cc1cccc(COC[C@H]2CCCO2)c1 ZINC000665294403 425539456 /nfs/dbraw/zinc/53/94/56/425539456.db2.gz OBHZNNWLRUOBRE-ATZDWAIDSA-N 1 3 318.461 2.470 20 0 DEADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@H]2CCN2C(C)(C)C)CC1 ZINC000665365452 425553518 /nfs/dbraw/zinc/55/35/18/425553518.db2.gz DKGNUWHYTIMGHQ-MRXNPFEDSA-N 1 3 324.513 2.375 20 0 DEADHO Cc1ccc(NC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)c(CN(C)C)c1 ZINC000655448351 425570255 /nfs/dbraw/zinc/57/02/55/425570255.db2.gz GCSAKVDJYUJAKO-CRAIPNDOSA-N 1 3 301.434 2.385 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)c2ccccc2CC[NH2+]C)CC1 ZINC000655495016 425580996 /nfs/dbraw/zinc/58/09/96/425580996.db2.gz KNSULHCWESACMQ-UHFFFAOYSA-N 1 3 317.477 2.395 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)C[C@H](C)C2CC[NH2+]CC2)CC1 ZINC000655494853 425581068 /nfs/dbraw/zinc/58/10/68/425581068.db2.gz PALARJQCFPKHDY-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1CCCN(C(=O)C[C@H](N)c2ccccc2)[C@@H]1CCC[NH3+] ZINC000659376329 425588343 /nfs/dbraw/zinc/58/83/43/425588343.db2.gz KHXLKXIQZDIFGW-HYVNUMGLSA-N 1 3 303.450 2.443 20 0 DEADHO NC[C@@H](NC(=O)CC[C@H]([NH3+])CC1CCCCC1)C(F)(F)F ZINC000655518740 425588924 /nfs/dbraw/zinc/58/89/24/425588924.db2.gz LJJJRLKVHQBQHN-NWDGAFQWSA-N 1 3 309.376 2.070 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)[C@@H](C)C1 ZINC000665554356 425594883 /nfs/dbraw/zinc/59/48/83/425594883.db2.gz KOXAYGRGVRLCFW-XHSDSOJGSA-N 1 3 324.513 2.231 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)[C@@H](C)C1 ZINC000665554356 425594888 /nfs/dbraw/zinc/59/48/88/425594888.db2.gz KOXAYGRGVRLCFW-XHSDSOJGSA-N 1 3 324.513 2.231 20 0 DEADHO C[NH2+]CC1CCN(CCc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000662245218 425599715 /nfs/dbraw/zinc/59/97/15/425599715.db2.gz JCHYLWYHPKUDKV-UHFFFAOYSA-N 1 3 312.360 2.482 20 0 DEADHO Fc1ccc(OC2CCN(C[C@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000662255481 425602751 /nfs/dbraw/zinc/60/27/51/425602751.db2.gz YVUHJIICLPZWJQ-QGZVFWFLSA-N 1 3 320.408 2.190 20 0 DEADHO Fc1ccc(CC[N@H+](C[C@@H]2CCC3(CNC3)O2)C2CC2)cc1 ZINC000662256416 425603530 /nfs/dbraw/zinc/60/35/30/425603530.db2.gz VVHAUIKHTZWYJI-KRWDZBQOSA-N 1 3 304.409 2.354 20 0 DEADHO Fc1ccc(CC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C2CC2)cc1 ZINC000662256416 425603532 /nfs/dbraw/zinc/60/35/32/425603532.db2.gz VVHAUIKHTZWYJI-KRWDZBQOSA-N 1 3 304.409 2.354 20 0 DEADHO C[NH2+]C[C@H](C)NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000659458198 425607726 /nfs/dbraw/zinc/60/77/26/425607726.db2.gz CGLGGLGCPXSXCS-KCQAQPDRSA-N 1 3 324.494 2.038 20 0 DEADHO C[NH2+]C[C@H](C)NC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000659458201 425608030 /nfs/dbraw/zinc/60/80/30/425608030.db2.gz CGLGGLGCPXSXCS-YDHLFZDLSA-N 1 3 324.494 2.038 20 0 DEADHO C[C@@H](CC[NH2+]C1CCN([C@@H]2CCOC2)CC1)N1CCCCC1 ZINC000655754374 425646472 /nfs/dbraw/zinc/64/64/72/425646472.db2.gz OTUDPMWTZOUBPF-FUHWJXTLSA-N 1 3 309.498 2.094 20 0 DEADHO CC(C)[NH2+]CC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000662425628 425648264 /nfs/dbraw/zinc/64/82/64/425648264.db2.gz FNKWCWNYLJAVBZ-AWEZNQCLSA-N 1 3 309.479 2.074 20 0 DEADHO CC(C)[NH2+]CC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000662425629 425648303 /nfs/dbraw/zinc/64/83/03/425648303.db2.gz FNKWCWNYLJAVBZ-CQSZACIVSA-N 1 3 309.479 2.074 20 0 DEADHO CC(C)(C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)CN1CCCC1 ZINC000655760112 425648449 /nfs/dbraw/zinc/64/84/49/425648449.db2.gz KAWKDJWTSKBAEV-SFHVURJKSA-N 1 3 323.525 2.341 20 0 DEADHO CC[C@@H]([NH2+]C)C(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC000662429225 425649360 /nfs/dbraw/zinc/64/93/60/425649360.db2.gz KYQRJJVCCJIYCP-OAHLLOKOSA-N 1 3 321.490 2.480 20 0 DEADHO O=C(c1cccc2c1CNC2)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000662441148 425651311 /nfs/dbraw/zinc/65/13/11/425651311.db2.gz AGRJYIINFUFEBA-MRXNPFEDSA-N 1 3 313.445 2.380 20 0 DEADHO C[NH+](C)CC1CCN(C(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662474252 425659751 /nfs/dbraw/zinc/65/97/51/425659751.db2.gz WDMUSSAOWASNRB-QGZVFWFLSA-N 1 3 301.434 2.021 20 0 DEADHO CO[C@](C)(CO)CNCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000655808352 425661111 /nfs/dbraw/zinc/66/11/11/425661111.db2.gz XZQFBDFNTVAMLW-SFHVURJKSA-N 1 3 308.466 2.132 20 0 DEADHO CO[C@](C)(CO)CNCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000655808352 425661115 /nfs/dbraw/zinc/66/11/15/425661115.db2.gz XZQFBDFNTVAMLW-SFHVURJKSA-N 1 3 308.466 2.132 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc3c2CNC3)C1 ZINC000662485253 425663329 /nfs/dbraw/zinc/66/33/29/425663329.db2.gz NRCCVCQFIDFNAX-CQSZACIVSA-N 1 3 301.434 2.094 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc3c2CNC3)C1 ZINC000662485253 425663331 /nfs/dbraw/zinc/66/33/31/425663331.db2.gz NRCCVCQFIDFNAX-CQSZACIVSA-N 1 3 301.434 2.094 20 0 DEADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc2c(s1)CCNC2 ZINC000662493290 425665342 /nfs/dbraw/zinc/66/53/42/425665342.db2.gz JONYLAXPLCNTCM-ZDUSSCGKSA-N 1 3 309.479 2.100 20 0 DEADHO CC(C)N(C)C[C@H](O)C[NH+]1CCC(COc2ccccc2)CC1 ZINC000659850928 425670810 /nfs/dbraw/zinc/67/08/10/425670810.db2.gz CHPAEAMUMWMZBH-SFHVURJKSA-N 1 3 320.477 2.479 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662523692 425674151 /nfs/dbraw/zinc/67/41/51/425674151.db2.gz QXFSBXWAJWFJNF-HFTRVMKXSA-N 1 3 313.445 2.069 20 0 DEADHO CO[C@H](CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[C@H]1CCOC1 ZINC000659864928 425674396 /nfs/dbraw/zinc/67/43/96/425674396.db2.gz NNOLTRRMELWHQG-GBESFXJTSA-N 1 3 324.509 2.482 20 0 DEADHO CO[C@H](C[N@@H+]1CCC[C@@H](CN2CCC(C)CC2)C1)[C@H]1CCOC1 ZINC000659864928 425674400 /nfs/dbraw/zinc/67/44/00/425674400.db2.gz NNOLTRRMELWHQG-GBESFXJTSA-N 1 3 324.509 2.482 20 0 DEADHO CO[C@H](C[N@H+]1CCC[C@@H](CN2CCC(C)CC2)C1)[C@H]1CCOC1 ZINC000659864928 425674405 /nfs/dbraw/zinc/67/44/05/425674405.db2.gz NNOLTRRMELWHQG-GBESFXJTSA-N 1 3 324.509 2.482 20 0 DEADHO C[NH+](C)Cc1cccc(CNC(=O)c2cccc3c2CNC3)c1 ZINC000662526381 425674524 /nfs/dbraw/zinc/67/45/24/425674524.db2.gz XORRYRIETPXACX-UHFFFAOYSA-N 1 3 309.413 2.281 20 0 DEADHO CCC(C)(C)NC(=O)[C@H](C)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290844 425613546 /nfs/dbraw/zinc/61/35/46/425613546.db2.gz LUYWBGUCQCFWJI-HOCLYGCPSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H]1C[N@H+](C[C@@H]2CCC3(CNC3)O2)CCc2ccc(F)cc21 ZINC000662284955 425614627 /nfs/dbraw/zinc/61/46/27/425614627.db2.gz SCRQPPIDSMDPNZ-BBRMVZONSA-N 1 3 304.409 2.308 20 0 DEADHO C[C@H]1C[N@@H+](C[C@@H]2CCC3(CNC3)O2)CCc2ccc(F)cc21 ZINC000662284955 425614630 /nfs/dbraw/zinc/61/46/30/425614630.db2.gz SCRQPPIDSMDPNZ-BBRMVZONSA-N 1 3 304.409 2.308 20 0 DEADHO CC[C@@H]1CCCCN1C(=O)CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290596 425614850 /nfs/dbraw/zinc/61/48/50/425614850.db2.gz YHIPYSYKSZGVNC-QZTJIDSGSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H](C(=O)N1CCC(C)CC1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291432 425614912 /nfs/dbraw/zinc/61/49/12/425614912.db2.gz SGLVNXWSTXBELD-AEFFLSMTSA-N 1 3 321.509 2.345 20 0 DEADHO CCCN(CCC)C(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295702 425615644 /nfs/dbraw/zinc/61/56/44/425615644.db2.gz HWQPQNDMWPIASF-QGZVFWFLSA-N 1 3 309.498 2.347 20 0 DEADHO CC(C)[C@H]([NH3+])CCNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000659491862 425615795 /nfs/dbraw/zinc/61/57/95/425615795.db2.gz DYNAWXLDSLSFGV-OIISXLGYSA-N 1 3 320.481 2.350 20 0 DEADHO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCC[C@@H](C3CC[NH2+]CC3)C2)C1 ZINC000662294151 425615931 /nfs/dbraw/zinc/61/59/31/425615931.db2.gz JDTSXFCGLNSGHP-SOLBZPMBSA-N 1 3 321.509 2.203 20 0 DEADHO CCC(C)(C)NC(=O)[C@H](C)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294068 425616769 /nfs/dbraw/zinc/61/67/69/425616769.db2.gz ASMJJJWRPYICAQ-HOCLYGCPSA-N 1 3 309.498 2.391 20 0 DEADHO c1c(N2CCNCC2)n[nH]c1[C@@H]1CCC[N@@H+](CCC2CCC2)C1 ZINC000662337644 425627996 /nfs/dbraw/zinc/62/79/96/425627996.db2.gz MLVMLWMOEYXNJS-MRXNPFEDSA-N 1 3 317.481 2.189 20 0 DEADHO c1c(N2CCNCC2)n[nH]c1[C@@H]1CCC[N@H+](CCC2CCC2)C1 ZINC000662337644 425628002 /nfs/dbraw/zinc/62/80/02/425628002.db2.gz MLVMLWMOEYXNJS-MRXNPFEDSA-N 1 3 317.481 2.189 20 0 DEADHO CN(C)[C@H](C[NH2+]C1CCN([C@H]2CCOC2)CC1)C1CCCCC1 ZINC000655692323 425629348 /nfs/dbraw/zinc/62/93/48/425629348.db2.gz OMFDGHJITRZYBU-RBUKOAKNSA-N 1 3 323.525 2.340 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc2c1CNC2 ZINC000662352691 425630273 /nfs/dbraw/zinc/63/02/73/425630273.db2.gz ZWLPSGTXDCWTSQ-AWEZNQCLSA-N 1 3 301.434 2.284 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cccc2c1CNC2 ZINC000662352691 425630276 /nfs/dbraw/zinc/63/02/76/425630276.db2.gz ZWLPSGTXDCWTSQ-AWEZNQCLSA-N 1 3 301.434 2.284 20 0 DEADHO C[C@@H]1CCC[C@](C[NH2+]C2CCN([C@H]3CCOC3)CC2)(N(C)C)C1 ZINC000655697786 425630986 /nfs/dbraw/zinc/63/09/86/425630986.db2.gz VYRKEZWPIOZACW-NEWSRXKRSA-N 1 3 323.525 2.340 20 0 DEADHO C[C@@H]1CC[C@H]([NH2+]C2CCN(C3CCN(C)CC3)CC2)CS1 ZINC000655713459 425635310 /nfs/dbraw/zinc/63/53/10/425635310.db2.gz MWOFJKXMOKRRDK-ZBFHGGJFSA-N 1 3 311.539 2.419 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1CC[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000655710496 425635349 /nfs/dbraw/zinc/63/53/49/425635349.db2.gz CEHQYXOVKMLLBN-SOLBZPMBSA-N 1 3 309.498 2.092 20 0 DEADHO C[C@@H]1CCC[N@H+](CCNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662386707 425638419 /nfs/dbraw/zinc/63/84/19/425638419.db2.gz FOUBHXYULBUDQU-RHSMWYFYSA-N 1 3 301.434 2.069 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662386707 425638424 /nfs/dbraw/zinc/63/84/24/425638424.db2.gz FOUBHXYULBUDQU-RHSMWYFYSA-N 1 3 301.434 2.069 20 0 DEADHO [NH3+]C[C@H]1CCCc2ccc(C(=O)NCCN3CCCCC3)cc21 ZINC000662386738 425638717 /nfs/dbraw/zinc/63/87/17/425638717.db2.gz GGKGVVRJFXPGPH-QGZVFWFLSA-N 1 3 315.461 2.281 20 0 DEADHO Cc1ccc(CN(CCN(C)C)C(=O)NCC[C@@H]([NH3+])C(C)C)o1 ZINC000659623662 425639067 /nfs/dbraw/zinc/63/90/67/425639067.db2.gz IBMNXGYSOGKDAY-MRXNPFEDSA-N 1 3 324.469 2.035 20 0 DEADHO CC[C@H]1[C@@H](C)CCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665761429 425640897 /nfs/dbraw/zinc/64/08/97/425640897.db2.gz CRLYEJQBIZBHEU-JYJNAYRXSA-N 1 3 312.502 2.088 20 0 DEADHO CC[C@H]1[C@@H](C)CCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665761429 425640901 /nfs/dbraw/zinc/64/09/01/425640901.db2.gz CRLYEJQBIZBHEU-JYJNAYRXSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCCCC[C@H]1C ZINC000665757294 425640982 /nfs/dbraw/zinc/64/09/82/425640982.db2.gz DWMHDAHPBVOSMJ-JKSUJKDBSA-N 1 3 312.502 2.233 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCCCC[C@H]1C ZINC000665757294 425640984 /nfs/dbraw/zinc/64/09/84/425640984.db2.gz DWMHDAHPBVOSMJ-JKSUJKDBSA-N 1 3 312.502 2.233 20 0 DEADHO [NH3+]C1(CNC(=O)c2cccc3c2CCNC3)CCCCCC1 ZINC000662399139 425641421 /nfs/dbraw/zinc/64/14/21/425641421.db2.gz NEZYAEUWLPZHAN-UHFFFAOYSA-N 1 3 301.434 2.114 20 0 DEADHO CN1CCC(N2CC[C@@H]([NH2+]Cc3ccc4[nH]ccc4c3)C2)CC1 ZINC000655737047 425641432 /nfs/dbraw/zinc/64/14/32/425641432.db2.gz JSRGYPPRDKMPIC-QGZVFWFLSA-N 1 3 312.461 2.426 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662792353 425736947 /nfs/dbraw/zinc/73/69/47/425736947.db2.gz FMGIHILTQQPTEW-OIISXLGYSA-N 1 3 315.461 2.011 20 0 DEADHO [NH3+]C[C@H](C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)c1ccc(F)cc1 ZINC000662839679 425745292 /nfs/dbraw/zinc/74/52/92/425745292.db2.gz STEQHGDUNXIFQU-BBWFWOEESA-N 1 3 319.424 2.001 20 0 DEADHO CO[C@H](CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)C1CCCC1 ZINC000660118472 425743210 /nfs/dbraw/zinc/74/32/10/425743210.db2.gz UZLSBMJFJPOFDJ-WNRNVDISSA-N 1 3 310.482 2.375 20 0 DEADHO C[NH+](C)[C@H](CNC(=O)C1(NC2CC2)CCC1)C1CCCCC1 ZINC000662678291 425710427 /nfs/dbraw/zinc/71/04/27/425710427.db2.gz DFHNODJTVGFERA-MRXNPFEDSA-N 1 3 307.482 2.288 20 0 DEADHO C[C@H]1C[C@@H](N(C)C(=O)[C@H]2C[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000662725968 425722171 /nfs/dbraw/zinc/72/21/71/425722171.db2.gz BWQIOTKRPSPAJF-DKIMLUQUSA-N 1 3 315.461 2.235 20 0 DEADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2[NH2+]CCC2(C)C)C1 ZINC000662747039 425728548 /nfs/dbraw/zinc/72/85/48/425728548.db2.gz QKHXUKBVHBEVDK-IRXDYDNUSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200639 425729688 /nfs/dbraw/zinc/72/96/88/425729688.db2.gz SSPMNXUSAFKZTG-RPVYPSMYSA-N 1 3 323.525 2.385 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000660248088 425775190 /nfs/dbraw/zinc/77/51/90/425775190.db2.gz DCCDUBVDHQCIRG-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO CC1(C)CCCN[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663005956 425777281 /nfs/dbraw/zinc/77/72/81/425777281.db2.gz ZTWXOXAKWQTPCH-JKSUJKDBSA-N 1 3 307.482 2.003 20 0 DEADHO CC1(C)CCCN[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663005956 425777283 /nfs/dbraw/zinc/77/72/83/425777283.db2.gz ZTWXOXAKWQTPCH-JKSUJKDBSA-N 1 3 307.482 2.003 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCCCC[NH+]2CCC(C)CC2)C1 ZINC000660401598 425808470 /nfs/dbraw/zinc/80/84/70/425808470.db2.gz WCMXBIDRIACAMN-KRWDZBQOSA-N 1 3 324.513 2.282 20 0 DEADHO CC1(C)CCCN[C@H]1C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662838526 425745476 /nfs/dbraw/zinc/74/54/76/425745476.db2.gz HWVBGCXYDDOQKZ-HOTGVXAUSA-N 1 3 307.482 2.003 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662846739 425749521 /nfs/dbraw/zinc/74/95/21/425749521.db2.gz ULWPBHBNFWCRDH-BFYDXBDKSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC[C@@H](N3CCOCC3)CC2)C1 ZINC000660476153 425819706 /nfs/dbraw/zinc/81/97/06/425819706.db2.gz XCJHKVMUJIBRNN-GUDVDZBRSA-N 1 3 323.525 2.151 20 0 DEADHO O=C(Nc1ccc2c(c1)CNC2)NC1CC[NH+](C2CCC2)CC1 ZINC000333406997 268941482 /nfs/dbraw/zinc/94/14/82/268941482.db2.gz ZLIWWQXNRNATSG-UHFFFAOYSA-N 1 3 314.433 2.428 20 0 DEADHO CN(C(=O)NCCN1CCC2(CCCCC2)CC1)C1CC([NH3+])C1 ZINC000333822581 268994814 /nfs/dbraw/zinc/99/48/14/268994814.db2.gz RJSSNZWZEHJNAV-UHFFFAOYSA-N 1 3 322.497 2.164 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000363698020 269071388 /nfs/dbraw/zinc/07/13/88/269071388.db2.gz ZISLBOZNQISKKP-KRWDZBQOSA-N 1 3 301.434 2.059 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)cc1 ZINC000363698020 269071390 /nfs/dbraw/zinc/07/13/90/269071390.db2.gz ZISLBOZNQISKKP-KRWDZBQOSA-N 1 3 301.434 2.059 20 0 DEADHO C[C@@H]1CCCCN1C(=O)CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000374167107 269091599 /nfs/dbraw/zinc/09/15/99/269091599.db2.gz ZKUBAYLXEYGXHQ-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)C[C@H](c2ccccc2)[NH+](C)C)CN1C1CC1 ZINC000433384545 269135521 /nfs/dbraw/zinc/13/55/21/269135521.db2.gz KRPCQNUJHDLJQS-UWWQBHOKSA-N 1 3 315.461 2.421 20 0 DEADHO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC[C@H]2CCCN2C)C1 ZINC000495520148 269150480 /nfs/dbraw/zinc/15/04/80/269150480.db2.gz PBDWPWUYEQFCRE-HRCADAONSA-N 1 3 311.470 2.317 20 0 DEADHO CCOC(=O)N1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000496220692 269205653 /nfs/dbraw/zinc/20/56/53/269205653.db2.gz ZMPJWFYSACQZQV-YHUYYLMFSA-N 1 3 309.454 2.118 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000514799699 269332374 /nfs/dbraw/zinc/33/23/74/269332374.db2.gz VHXHAZSQKNPEPZ-WBVHZDCISA-N 1 3 324.513 2.314 20 0 DEADHO CSc1ccc(OC[C@H](O)CN[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000516049957 269356474 /nfs/dbraw/zinc/35/64/74/269356474.db2.gz FQICWTISYLKYSA-RBSFLKMASA-N 1 3 324.490 2.221 20 0 DEADHO CSc1ccc(OC[C@H](O)CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000516049957 269356476 /nfs/dbraw/zinc/35/64/76/269356476.db2.gz FQICWTISYLKYSA-RBSFLKMASA-N 1 3 324.490 2.221 20 0 DEADHO C[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1)C1=CCN(C)CC1 ZINC000517232098 269380336 /nfs/dbraw/zinc/38/03/36/269380336.db2.gz WAMZNLGCLNLLRD-CJNGLKHVSA-N 1 3 324.852 2.320 20 0 DEADHO N[C@@H]1CCCCC[C@H]1[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000517918754 269394542 /nfs/dbraw/zinc/39/45/42/269394542.db2.gz ORCVHWQQHKVETE-IAGOWNOFSA-N 1 3 309.498 2.271 20 0 DEADHO O[C@@H]1c2ccccc2C[C@H]1[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000119441389 275055727 /nfs/dbraw/zinc/05/57/27/275055727.db2.gz UEZBQMSEZQAUAH-ATZDWAIDSA-N 1 3 300.446 2.453 20 0 DEADHO O[C@@H]1c2ccccc2C[C@H]1[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000119441389 275055728 /nfs/dbraw/zinc/05/57/28/275055728.db2.gz UEZBQMSEZQAUAH-ATZDWAIDSA-N 1 3 300.446 2.453 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)N(C)CC(C)(C)C[NH3+])cc1 ZINC000418353890 275745578 /nfs/dbraw/zinc/74/55/78/275745578.db2.gz NUOOWUFDZKMFMO-INIZCTEOSA-N 1 3 320.481 2.436 20 0 DEADHO CCN(C(=O)[C@@H]1C[C@@H]1[NH3+])[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000424157629 276063790 /nfs/dbraw/zinc/06/37/90/276063790.db2.gz QBTMQHBPUOIEFD-XBVQOTNRSA-N 1 3 301.434 2.018 20 0 DEADHO CC[N@@H+]1CC[C@H](NCCN2CCc3sccc3C2)[C@H](C)C1 ZINC000132848486 276229009 /nfs/dbraw/zinc/22/90/09/276229009.db2.gz ZIOGEWGNZFTXAZ-ZBFHGGJFSA-N 1 3 307.507 2.426 20 0 DEADHO CC[N@H+]1CC[C@H](NCCN2CCc3sccc3C2)[C@H](C)C1 ZINC000132848486 276229010 /nfs/dbraw/zinc/22/90/10/276229010.db2.gz ZIOGEWGNZFTXAZ-ZBFHGGJFSA-N 1 3 307.507 2.426 20 0 DEADHO CCN1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000358940377 276375655 /nfs/dbraw/zinc/37/56/55/276375655.db2.gz VRIDGOYTQZNXSB-CVEARBPZSA-N 1 3 307.482 2.242 20 0 DEADHO CCN1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000358940377 276375656 /nfs/dbraw/zinc/37/56/56/276375656.db2.gz VRIDGOYTQZNXSB-CVEARBPZSA-N 1 3 307.482 2.242 20 0 DEADHO CN1CCCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000356070453 277047516 /nfs/dbraw/zinc/04/75/16/277047516.db2.gz VGXCCRBXVUHFNS-UHFFFAOYSA-N 1 3 322.497 2.131 20 0 DEADHO CC(C)(CCO)CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422990941 277297670 /nfs/dbraw/zinc/29/76/70/277297670.db2.gz CCCUUTFAGHZIDU-CRAIPNDOSA-N 1 3 304.434 2.241 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000245203156 277385427 /nfs/dbraw/zinc/38/54/27/277385427.db2.gz ZXIKFRCVWSDOPZ-OWCLPIDISA-N 1 3 309.498 2.484 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(C)CC[C@H]1C ZINC000440188228 277388049 /nfs/dbraw/zinc/38/80/49/277388049.db2.gz OULMGTOQOSERCJ-SJORKVTESA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(C)CC[C@H]1C ZINC000440188228 277388051 /nfs/dbraw/zinc/38/80/51/277388051.db2.gz OULMGTOQOSERCJ-SJORKVTESA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C2CCN(C3CC3)CC2)C1 ZINC000338821877 277395117 /nfs/dbraw/zinc/39/51/17/277395117.db2.gz JEBJVJZBTUTVOG-MRXNPFEDSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C2CCN(C3CC3)CC2)C1 ZINC000338821877 277395119 /nfs/dbraw/zinc/39/51/19/277395119.db2.gz JEBJVJZBTUTVOG-MRXNPFEDSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H]1NCCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@H]1C ZINC000417807753 278512595 /nfs/dbraw/zinc/51/25/95/278512595.db2.gz KLCKKNCTNLZBQK-CABCVRRESA-N 1 3 322.497 2.175 20 0 DEADHO CCN(CC)CCN[C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422748219 279107439 /nfs/dbraw/zinc/10/74/39/279107439.db2.gz SNJIFXCOOSBGRS-ROUUACIJSA-N 1 3 305.466 2.420 20 0 DEADHO CC(C)C[C@H](N)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000236655471 279175290 /nfs/dbraw/zinc/17/52/90/279175290.db2.gz WXZGDZUNJXZZBS-IRXDYDNUSA-N 1 3 309.498 2.330 20 0 DEADHO CCN(Cc1ccc(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1)C1CC1 ZINC000429179843 279235238 /nfs/dbraw/zinc/23/52/38/279235238.db2.gz HBVKLLNCDAQNTE-KSSFIOAISA-N 1 3 315.461 2.480 20 0 DEADHO C[C@H](CC(=O)N[C@@H](CN(C)C)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000261638315 279246773 /nfs/dbraw/zinc/24/67/73/279246773.db2.gz CSQPZRAHKMBPNE-NJAFHUGGSA-N 1 3 317.477 2.431 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000303518375 279281277 /nfs/dbraw/zinc/28/12/77/279281277.db2.gz YMYBCYXCCIEHBL-IRXDYDNUSA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCCN(C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000418455626 279285251 /nfs/dbraw/zinc/28/52/51/279285251.db2.gz DTMLXFAPLIROQQ-UHFFFAOYSA-N 1 3 310.486 2.036 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000491002968 279376720 /nfs/dbraw/zinc/37/67/20/279376720.db2.gz LRGXNMRBTKEYRK-CVEARBPZSA-N 1 3 324.513 2.231 20 0 DEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000491002968 279376722 /nfs/dbraw/zinc/37/67/22/279376722.db2.gz LRGXNMRBTKEYRK-CVEARBPZSA-N 1 3 324.513 2.231 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)CN1CCCCC1)[NH+]1CCCCC1 ZINC000354688644 279792510 /nfs/dbraw/zinc/79/25/10/279792510.db2.gz UXMZOMMTWKRNCR-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@]1(c2ccccc2)CC[C@H](N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000414771660 280174163 /nfs/dbraw/zinc/17/41/63/280174163.db2.gz PZLGOIIUEKTERX-UFYCRDLUSA-N 1 3 313.489 2.476 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N(CCN(C)CCCF)C(C)C)CC[N@H+]1C ZINC001423586627 1173429797 /nfs/dbraw/zinc/42/97/97/1173429797.db2.gz SHRNSWSNRPYMLJ-JKSUJKDBSA-N 1 3 315.477 2.245 20 0 DEADHO C[NH+](C)C1CCC(NC(=O)N2CCN(C3CCCC3)CC2)CC1 ZINC000422237072 282047264 /nfs/dbraw/zinc/04/72/64/282047264.db2.gz IEQYAGKLGUGCML-UHFFFAOYSA-N 1 3 322.497 2.129 20 0 DEADHO CCC(CC)(C[NH3+])C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000261550842 282072238 /nfs/dbraw/zinc/07/22/38/282072238.db2.gz PTFSYMMXDGDZOH-HNNXBMFYSA-N 1 3 305.466 2.388 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC[C@H](C)[NH3+])N(C)C ZINC000418162781 292687260 /nfs/dbraw/zinc/68/72/60/292687260.db2.gz CZEJHAVZLYEJRL-DZKIICNBSA-N 1 3 306.454 2.023 20 0 DEADHO CN1CC[C@H]2CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H]2C1 ZINC000353404644 289182749 /nfs/dbraw/zinc/18/27/49/289182749.db2.gz HSXIZECXJFWXJK-XHSDSOJGSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C)N1CCCCCC1 ZINC000346153161 289298088 /nfs/dbraw/zinc/29/80/88/289298088.db2.gz FRVCRDXKUDLLRN-BRWVUGGUSA-N 1 3 307.482 2.336 20 0 DEADHO C[C@H](C(=O)NC1CC[NH+](C2CCC2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000456684315 289347836 /nfs/dbraw/zinc/34/78/36/289347836.db2.gz NVBLBFSCYZSNEY-QLFBSQMISA-N 1 3 307.482 2.381 20 0 DEADHO C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000373879751 289372289 /nfs/dbraw/zinc/37/22/89/289372289.db2.gz DPDWUCDCYAKEGO-DLBZAZTESA-N 1 3 307.482 2.336 20 0 DEADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418648602 289407003 /nfs/dbraw/zinc/40/70/03/289407003.db2.gz VMRXWMKGJKEHJP-GDBMZVCRSA-N 1 3 324.513 2.136 20 0 DEADHO COc1cccc([C@H](CNC(=O)CC[C@@H](C)[NH3+])N2CCCC2)c1 ZINC000193291551 295325407 /nfs/dbraw/zinc/32/54/07/295325407.db2.gz ZDZCKDOZRKQIKJ-PBHICJAKSA-N 1 3 319.449 2.076 20 0 DEADHO C[C@@H]1COCC[C@@H]1N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423364051 297140672 /nfs/dbraw/zinc/14/06/72/297140672.db2.gz JHRXXRUJYHCQGN-DTJGQCLQSA-N 1 3 310.388 2.425 20 0 DEADHO C[C@H](C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[C@H](N)c1ccccc1 ZINC000246515729 298075904 /nfs/dbraw/zinc/07/59/04/298075904.db2.gz QWPNELQOBUMUBE-BQFCYCMXSA-N 1 3 315.461 2.267 20 0 DEADHO C[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)N1[C@H](C)CC[C@@H]1C ZINC000247084128 298086329 /nfs/dbraw/zinc/08/63/29/298086329.db2.gz WWIXJKVDNQNWPS-JJTUDDRGSA-N 1 3 307.482 2.190 20 0 DEADHO C[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)N1[C@H](C)CC[C@@H]1C ZINC000247084128 298086332 /nfs/dbraw/zinc/08/63/32/298086332.db2.gz WWIXJKVDNQNWPS-JJTUDDRGSA-N 1 3 307.482 2.190 20 0 DEADHO C[C@H](C(=O)NC1CCC(C)CC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358503414 298142159 /nfs/dbraw/zinc/14/21/59/298142159.db2.gz GCICKOQWICHXEE-HWOWSKLDSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)N1CCC([C@H](C)[NH3+])CC1 ZINC000430931849 298174544 /nfs/dbraw/zinc/17/45/44/298174544.db2.gz FBLNOWAXAXYNQX-RUCLQGLUSA-N 1 3 309.498 2.375 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])N(C)C)cc1 ZINC000423336434 301795030 /nfs/dbraw/zinc/79/50/30/301795030.db2.gz GWUNHXANECIDJG-PVAVHDDUSA-N 1 3 305.466 2.333 20 0 DEADHO Cc1ccccc1[C@H](C)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423397288 302179961 /nfs/dbraw/zinc/17/99/61/302179961.db2.gz UPGJZHGFBAJOBH-ZFWWWQNUSA-N 1 3 315.383 2.482 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2c2cccc(F)c2)C1 ZINC000414678690 303366243 /nfs/dbraw/zinc/36/62/43/303366243.db2.gz QVARJLWXOOKWDN-PBHICJAKSA-N 1 3 319.424 2.160 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]2c2cccc(F)c2)C1 ZINC000414678690 303366244 /nfs/dbraw/zinc/36/62/44/303366244.db2.gz QVARJLWXOOKWDN-PBHICJAKSA-N 1 3 319.424 2.160 20 0 DEADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000372430849 303803634 /nfs/dbraw/zinc/80/36/34/303803634.db2.gz IIBKMHRFCWIKCG-CPUCHLNUSA-N 1 3 319.474 2.001 20 0 DEADHO CCC1([NH3+])CCN(C(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)CC1 ZINC001349883145 1151302965 /nfs/dbraw/zinc/30/29/65/1151302965.db2.gz ABRBIZWEVACPSO-CYBMUJFWSA-N 1 3 324.856 2.163 20 0 DEADHO CC(C)[NH2+]CCC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000568085791 325910951 /nfs/dbraw/zinc/91/09/51/325910951.db2.gz ZHVRFWAIKIKARI-UHFFFAOYSA-N 1 3 309.429 2.104 20 0 DEADHO C[N@H+](C[C@@H](O)CNCCc1ccccc1C(F)(F)F)C1CC1 ZINC000573676264 326080081 /nfs/dbraw/zinc/08/00/81/326080081.db2.gz HYTNNPWKVWSAEY-AWEZNQCLSA-N 1 3 316.367 2.293 20 0 DEADHO C[N@@H+](C[C@@H](O)CNCCc1ccccc1C(F)(F)F)C1CC1 ZINC000573676264 326080082 /nfs/dbraw/zinc/08/00/82/326080082.db2.gz HYTNNPWKVWSAEY-AWEZNQCLSA-N 1 3 316.367 2.293 20 0 DEADHO C[C@@H](NC[C@H](O)COCc1ccccc1)C(C)(C)C[NH+](C)C ZINC000573835632 326097592 /nfs/dbraw/zinc/09/75/92/326097592.db2.gz URQJXXABPFQCDG-WBVHZDCISA-N 1 3 308.466 2.130 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000574179862 326131080 /nfs/dbraw/zinc/13/10/80/326131080.db2.gz IQSMLCQMKFPTDJ-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N(C)CCC[NH3+])c1ccccc1 ZINC000574622656 326171846 /nfs/dbraw/zinc/17/18/46/326171846.db2.gz VQGVOGVOONXMEH-INIZCTEOSA-N 1 3 306.454 2.060 20 0 DEADHO C[C@H]1C[C@H]([NH3+])CCN1C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000576118403 326271045 /nfs/dbraw/zinc/27/10/45/326271045.db2.gz JYWYHSHABDLAKX-MAUKXSAKSA-N 1 3 315.461 2.237 20 0 DEADHO C[C@@H](CNC(=O)[C@H](C)N1CCC(CC[NH3+])CC1)c1ccccc1 ZINC000576232933 326278822 /nfs/dbraw/zinc/27/88/22/326278822.db2.gz GKFQJNYIHGDFTO-HOTGVXAUSA-N 1 3 317.477 2.356 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC[C@@H](C[NH3+])C1)c1ccco1 ZINC000576331159 326285750 /nfs/dbraw/zinc/28/57/50/326285750.db2.gz QHCTXLVIPKPHHV-SOUVJXGZSA-N 1 3 322.453 2.089 20 0 DEADHO CSc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)N(C)C)cc1 ZINC000576426458 326292763 /nfs/dbraw/zinc/29/27/63/326292763.db2.gz JHYZLRAFRPABCF-GDBMZVCRSA-N 1 3 321.490 2.079 20 0 DEADHO CSc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)N(C)C)cc1 ZINC000576426458 326292765 /nfs/dbraw/zinc/29/27/65/326292765.db2.gz JHYZLRAFRPABCF-GDBMZVCRSA-N 1 3 321.490 2.079 20 0 DEADHO CN(CC(=O)N1C[C@H]([NH2+]C/C=C/Cl)C(C)(C)C1)C1CCC1 ZINC001369440961 1148990326 /nfs/dbraw/zinc/99/03/26/1148990326.db2.gz PQNDSPTYQVFTAQ-GPAKFWEMSA-N 1 3 313.873 2.050 20 0 DEADHO CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000584271811 332179359 /nfs/dbraw/zinc/17/93/59/332179359.db2.gz ABOVETNUGWUJTR-HNNXBMFYSA-N 1 3 324.513 2.233 20 0 DEADHO COc1cc2c(cc1CNCC1CC[NH+](C)CC1)O[C@@H](C)C2 ZINC000378881030 333059160 /nfs/dbraw/zinc/05/91/60/333059160.db2.gz GQKYEHQHKHBZRP-ZDUSSCGKSA-N 1 3 304.434 2.450 20 0 DEADHO COc1cccc([C@H](CN[C@@H]2CCC[C@@H]2[NH3+])N2CCCC2)c1 ZINC000582116299 333290259 /nfs/dbraw/zinc/29/02/59/333290259.db2.gz QDCILICFYFUWPP-KSZLIROESA-N 1 3 303.450 2.302 20 0 DEADHO COc1cccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2N)N2CCCC2)c1 ZINC000582116299 333290260 /nfs/dbraw/zinc/29/02/60/333290260.db2.gz QDCILICFYFUWPP-KSZLIROESA-N 1 3 303.450 2.302 20 0 DEADHO CN(C(=O)C(C)(C)C[NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388519643 333319861 /nfs/dbraw/zinc/31/98/61/333319861.db2.gz QDVQLYOTEVTPBK-INIZCTEOSA-N 1 3 303.450 2.094 20 0 DEADHO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)N)c1 ZINC000582235432 336383569 /nfs/dbraw/zinc/38/35/69/336383569.db2.gz JXNVLCQMUYXIEE-SHAWWILOSA-N 1 3 304.434 2.141 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)CC[NH2+]C2CC2)N2CCCC2)cc1 ZINC000583035830 337232302 /nfs/dbraw/zinc/23/23/02/337232302.db2.gz XVJORPZGNDGOKM-GOSISDBHSA-N 1 3 315.461 2.390 20 0 DEADHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)N(C)Cc1ccccc1 ZINC001378226157 1152234059 /nfs/dbraw/zinc/23/40/59/1152234059.db2.gz CVWXBMNQNRFHJN-KRWDZBQOSA-N 1 3 317.477 2.499 20 0 DEADHO CC[C@@H](C(=O)NC1(C[NH2+]C/C=C\Cl)CCCCC1)N(C)C ZINC001329846785 1149003128 /nfs/dbraw/zinc/00/31/28/1149003128.db2.gz VPBOJJNQTOREIL-MSKHEQNASA-N 1 3 315.889 2.488 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@]1(C[NH2+]C(C)C)CCCC[C@H]1C ZINC001378418293 1152322604 /nfs/dbraw/zinc/32/26/04/1152322604.db2.gz DGDPOSJCFDANLV-CXAGYDPISA-N 1 3 306.454 2.324 20 0 DEADHO CC(C)N(C)CC(=O)N[C@](C)(C[NH2+]Cc1ccccc1)C1CC1 ZINC001378426820 1152324451 /nfs/dbraw/zinc/32/44/51/1152324451.db2.gz WBYUKTXKYGIONE-LJQANCHMSA-N 1 3 317.477 2.401 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH2+]CCN(C)C(=O)CN(C)C(C)C ZINC001377600009 1160577291 /nfs/dbraw/zinc/57/72/91/1160577291.db2.gz IQQIJGMNXUKWMD-MRXNPFEDSA-N 1 3 305.466 2.444 20 0 DEADHO CC(C)CCC[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001377767960 1160814101 /nfs/dbraw/zinc/81/41/01/1160814101.db2.gz POPPAUORAPVGMH-KRWDZBQOSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001377767960 1160814103 /nfs/dbraw/zinc/81/41/03/1160814103.db2.gz POPPAUORAPVGMH-KRWDZBQOSA-N 1 3 309.498 2.299 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001378604650 1152391678 /nfs/dbraw/zinc/39/16/78/1152391678.db2.gz LFTXEIHYAMEXHM-WBVHZDCISA-N 1 3 305.466 2.177 20 0 DEADHO CC(C)C[NH+]1CCC([C@H](C)NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001369568546 1149043963 /nfs/dbraw/zinc/04/39/63/1149043963.db2.gz CQLSXTHBBVDSNB-HOTGVXAUSA-N 1 3 309.498 2.201 20 0 DEADHO c1cc(N2CCC([NH2+]C[C@H]3CSCCS3)CC2)ccn1 ZINC000229589383 501087425 /nfs/dbraw/zinc/08/74/25/501087425.db2.gz RVXMVQAJZHRMCW-HNNXBMFYSA-N 1 3 309.504 2.489 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)N1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000417637868 533780895 /nfs/dbraw/zinc/78/08/95/533780895.db2.gz ZLVSBYXRYZUMHJ-GOEBONIOSA-N 1 3 318.465 2.249 20 0 DEADHO C[C@H](NC1CCN(C(=O)c2ccco2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422820365 533807211 /nfs/dbraw/zinc/80/72/11/533807211.db2.gz QFCCAFDKHBEPJX-ZFWWWQNUSA-N 1 3 305.422 2.004 20 0 DEADHO C[C@@H]1CCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)C[C@@H]1C[NH3+] ZINC000417840513 533936650 /nfs/dbraw/zinc/93/66/50/533936650.db2.gz OKYPULJESJWAJY-KBMXLJTQSA-N 1 3 303.450 2.156 20 0 DEADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccc(F)cc1 ZINC000422759836 534389447 /nfs/dbraw/zinc/38/94/47/534389447.db2.gz LRMVEXIMNGIALM-DSLXNQLJSA-N 1 3 320.452 2.487 20 0 DEADHO O[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000294895973 534443799 /nfs/dbraw/zinc/44/37/99/534443799.db2.gz REVRQDGKHUSHEE-QXCZDIPSSA-N 1 3 300.446 2.400 20 0 DEADHO O[C@H]1C[C@@H](N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000294895973 534443805 /nfs/dbraw/zinc/44/38/05/534443805.db2.gz REVRQDGKHUSHEE-QXCZDIPSSA-N 1 3 300.446 2.400 20 0 DEADHO O[C@H]1C[C@@H](N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000294895973 534443811 /nfs/dbraw/zinc/44/38/11/534443811.db2.gz REVRQDGKHUSHEE-QXCZDIPSSA-N 1 3 300.446 2.400 20 0 DEADHO CC(C)OC[C@@H](C)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000337340941 519770824 /nfs/dbraw/zinc/77/08/24/519770824.db2.gz PWFDKAWIKMKLQK-QGZVFWFLSA-N 1 3 319.493 2.337 20 0 DEADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](C)N2CCCC[C@H]2C)C1 ZINC000338299537 519863515 /nfs/dbraw/zinc/86/35/15/519863515.db2.gz WMEVKFQJODTHTL-BRWVUGGUSA-N 1 3 324.513 2.280 20 0 DEADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H](C)N2CCCC[C@H]2C)C1 ZINC000338299537 519863516 /nfs/dbraw/zinc/86/35/16/519863516.db2.gz WMEVKFQJODTHTL-BRWVUGGUSA-N 1 3 324.513 2.280 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)CCN1CCCC1 ZINC000112749888 520579509 /nfs/dbraw/zinc/57/95/09/520579509.db2.gz YERQAQQQFALBSS-QGZVFWFLSA-N 1 3 324.513 2.378 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)CCN1CCCC1 ZINC000112749888 520579516 /nfs/dbraw/zinc/57/95/16/520579516.db2.gz YERQAQQQFALBSS-QGZVFWFLSA-N 1 3 324.513 2.378 20 0 DEADHO c1cncc(CN2CCC([NH2+]Cc3ccc4c(c3)CNC4)CC2)c1 ZINC000423386585 534507067 /nfs/dbraw/zinc/50/70/67/534507067.db2.gz LYKGFXLNLWDSFR-UHFFFAOYSA-N 1 3 322.456 2.439 20 0 DEADHO CC[C@H](C)C[N@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001378901998 1152484447 /nfs/dbraw/zinc/48/44/47/1152484447.db2.gz OBQHPXHZWRLNJW-HNNXBMFYSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C)C[N@@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001378901998 1152484448 /nfs/dbraw/zinc/48/44/48/1152484448.db2.gz OBQHPXHZWRLNJW-HNNXBMFYSA-N 1 3 309.498 2.440 20 0 DEADHO CCN1CC[C@@H]([N@H+](C)CCCN2CCN(C(C)C)CC2)C[C@H]1C ZINC000337260338 521713379 /nfs/dbraw/zinc/71/33/79/521713379.db2.gz WWBBWWUMVBEACF-RTBURBONSA-N 1 3 324.557 2.207 20 0 DEADHO CCN1CC[C@@H]([N@@H+](C)CCCN2CCN(C(C)C)CC2)C[C@H]1C ZINC000337260338 521713381 /nfs/dbraw/zinc/71/33/81/521713381.db2.gz WWBBWWUMVBEACF-RTBURBONSA-N 1 3 324.557 2.207 20 0 DEADHO CN(CC1CC[NH+](C)CC1)C(=O)NCC(C)(C)N1CCCCC1 ZINC000103506815 522658324 /nfs/dbraw/zinc/65/83/24/522658324.db2.gz PLUDOAPDTAMJNL-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO [NH3+]CC[C@H]1CCCN([C@@H]2CCCN(c3cccc(F)c3)C2=O)C1 ZINC000443073098 534653173 /nfs/dbraw/zinc/65/31/73/534653173.db2.gz OPZYVAHDTFWAJI-RHSMWYFYSA-N 1 3 319.424 2.382 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC1CCN(C2CC2)CC1 ZINC000339412837 524105196 /nfs/dbraw/zinc/10/51/96/524105196.db2.gz IRSSCXKMWPYYTI-OAHLLOKOSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC1CCN(C2CC2)CC1 ZINC000339412837 524105204 /nfs/dbraw/zinc/10/52/04/524105204.db2.gz IRSSCXKMWPYYTI-OAHLLOKOSA-N 1 3 322.497 2.177 20 0 DEADHO Cc1cc(Cl)cc(C[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)c1 ZINC000339227910 524868689 /nfs/dbraw/zinc/86/86/89/524868689.db2.gz FAJMAZPWVDGURY-OAHLLOKOSA-N 1 3 323.868 2.325 20 0 DEADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N(C)CCN2CCCC2)C1 ZINC000112743148 524883937 /nfs/dbraw/zinc/88/39/37/524883937.db2.gz BKAOUVGXWLBDEZ-IRXDYDNUSA-N 1 3 324.513 2.092 20 0 DEADHO C1CC1[C@@H](NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CNCCO1 ZINC000422817879 526419662 /nfs/dbraw/zinc/41/96/62/526419662.db2.gz FCDIFEZPLSRGKH-RTBURBONSA-N 1 3 321.509 2.140 20 0 DEADHO CC(C)(CCc1ccccc1)[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414704134 527062957 /nfs/dbraw/zinc/06/29/57/527062957.db2.gz JJUGTIQHSBLBHU-KRWDZBQOSA-N 1 3 317.477 2.185 20 0 DEADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CCN[C@@H](C)[C@H]2C)CC1 ZINC000417856031 527722742 /nfs/dbraw/zinc/72/27/42/527722742.db2.gz WAWQHSMVFNVVIZ-JKSUJKDBSA-N 1 3 324.513 2.136 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](N)c2ccccc2)C[C@H]1C ZINC000448228254 527820623 /nfs/dbraw/zinc/82/06/23/527820623.db2.gz DMUGACXNFOVWFD-HYVNUMGLSA-N 1 3 303.450 2.408 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H](N)c2ccccc2)C[C@H]1C ZINC000448228254 527820627 /nfs/dbraw/zinc/82/06/27/527820627.db2.gz DMUGACXNFOVWFD-HYVNUMGLSA-N 1 3 303.450 2.408 20 0 DEADHO CCN(CC)C(=O)CCCN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422954733 528010797 /nfs/dbraw/zinc/01/07/97/528010797.db2.gz IECOQGCVEKEGBQ-DOTOQJQBSA-N 1 3 305.466 2.183 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418403610 528079314 /nfs/dbraw/zinc/07/93/14/528079314.db2.gz BUZQYLKMZILSRP-HZPDHXFCSA-N 1 3 310.486 2.021 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)NCC[C@H]2CC[NH2+]C2)cc1 ZINC000418340223 528131961 /nfs/dbraw/zinc/13/19/61/528131961.db2.gz CFHUGDDOEFUDHC-PBHICJAKSA-N 1 3 318.465 2.109 20 0 DEADHO CC[NH+](CC)CCO[C@@H]1CCN(CCc2csc(C)n2)C1 ZINC000348190385 528146412 /nfs/dbraw/zinc/14/64/12/528146412.db2.gz RHOUDHYWPTZIDG-MRXNPFEDSA-N 1 3 311.495 2.427 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000448286198 528222920 /nfs/dbraw/zinc/22/29/20/528222920.db2.gz VBMBRMUHVJAZEE-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000448286198 528222922 /nfs/dbraw/zinc/22/29/22/528222922.db2.gz VBMBRMUHVJAZEE-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N[C@@H](C)CCCC[NH3+] ZINC000418245490 528313698 /nfs/dbraw/zinc/31/36/98/528313698.db2.gz YFEFYPJQTUFINS-HOTGVXAUSA-N 1 3 312.502 2.314 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000294882776 528553113 /nfs/dbraw/zinc/55/31/13/528553113.db2.gz XPSCHEDKCQSWHO-OAHLLOKOSA-N 1 3 303.450 2.155 20 0 DEADHO CCC(CC)[C@H](C[NH2+][C@@H](C)[C@H]1CCCCN1)N1CCOCC1 ZINC000422817791 528855582 /nfs/dbraw/zinc/85/55/82/528855582.db2.gz INYKXZSWNCIOCR-JQHSSLGASA-N 1 3 311.514 2.244 20 0 DEADHO CC(C)N1CCN(c2cccc(NC(=O)[C@H](C)[C@H](C)[NH3+])c2)CC1 ZINC000423855450 529046165 /nfs/dbraw/zinc/04/61/65/529046165.db2.gz WUTUYZGCTHIRAA-CABCVRRESA-N 1 3 318.465 2.139 20 0 DEADHO CCN1CCC[C@H](C[NH2+]Cc2ccccc2C(=O)N(C)C)C1 ZINC000417880919 529085953 /nfs/dbraw/zinc/08/59/53/529085953.db2.gz QRHFVUVQOSDFNW-OAHLLOKOSA-N 1 3 303.450 2.210 20 0 DEADHO CCN1CCN(Cc2ccc(CN[C@H](C)C[C@@H](C)[NH3+])cc2)CC1 ZINC000422896317 529148819 /nfs/dbraw/zinc/14/88/19/529148819.db2.gz XQTDTTDNTNNYQR-IAGOWNOFSA-N 1 3 318.509 2.040 20 0 DEADHO CCN1CCN(Cc2ccc(N[C@@H]3C[NH2+]CC[C@H]3C)cc2)CC1 ZINC000422920690 529149549 /nfs/dbraw/zinc/14/95/49/529149549.db2.gz MQJQYUNNHNQFDX-VQIMIIECSA-N 1 3 316.493 2.234 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC(C[NH3+])CC1)c1ccco1 ZINC000418169496 529182634 /nfs/dbraw/zinc/18/26/34/529182634.db2.gz QALKNTIBLRHERI-DZGCQCFKSA-N 1 3 322.453 2.089 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CC[C@H](C[NH3+])C1)c1ccco1 ZINC000418166059 529182838 /nfs/dbraw/zinc/18/28/38/529182838.db2.gz KHACGHZHOKBFGH-ZQDZILKHSA-N 1 3 322.453 2.135 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)CC1 ZINC000375350338 535200161 /nfs/dbraw/zinc/20/01/61/535200161.db2.gz VHRZYGPLSJBFGV-MSOLQXFVSA-N 1 3 309.498 2.046 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)CC1 ZINC000375350338 535200166 /nfs/dbraw/zinc/20/01/66/535200166.db2.gz VHRZYGPLSJBFGV-MSOLQXFVSA-N 1 3 309.498 2.046 20 0 DEADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CCCCN2)cc1 ZINC000163856727 535606771 /nfs/dbraw/zinc/60/67/71/535606771.db2.gz WXSLKYADESUCSE-KRWDZBQOSA-N 1 3 303.450 2.287 20 0 DEADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](N)CC(F)F ZINC000319315758 535610644 /nfs/dbraw/zinc/61/06/44/535610644.db2.gz KLTNFYQCMXOMRQ-AWEZNQCLSA-N 1 3 313.392 2.127 20 0 DEADHO CCN1CCN(CCC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000348264334 535698675 /nfs/dbraw/zinc/69/86/75/535698675.db2.gz UNKYZJFKGDDDQI-OALUTQOASA-N 1 3 301.478 2.407 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+][C@@H]2CCSC2)CC1 ZINC000346203129 535753869 /nfs/dbraw/zinc/75/38/69/535753869.db2.gz DKQNGVIDGNSDKF-MRXNPFEDSA-N 1 3 305.491 2.424 20 0 DEADHO CCN(Cc1ccc(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1)C1CC1 ZINC000261912913 535781265 /nfs/dbraw/zinc/78/12/65/535781265.db2.gz YHILOTRYAYGGND-GOEBONIOSA-N 1 3 315.461 2.480 20 0 DEADHO C[NH+](C)CCOc1cccc(NC(=O)[C@]2(C)CCCCN2)c1 ZINC000262135686 535913128 /nfs/dbraw/zinc/91/31/28/535913128.db2.gz LWROXZGXIBRDGC-KRWDZBQOSA-N 1 3 305.422 2.098 20 0 DEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000372484539 535939282 /nfs/dbraw/zinc/93/92/82/535939282.db2.gz KAPQRGCGPHVDLD-ZWKOTPCHSA-N 1 3 317.477 2.055 20 0 DEADHO CN(C)Cc1ccc(-c2noc(CC[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000261828663 535993888 /nfs/dbraw/zinc/99/38/88/535993888.db2.gz RDBVCJKYYXPRNC-CYBMUJFWSA-N 1 3 300.406 2.340 20 0 DEADHO C[N@H+](CCCCNCc1nccn1CC(F)(F)F)C1CC1 ZINC000453590106 536338862 /nfs/dbraw/zinc/33/88/62/536338862.db2.gz ANVZIKPJKLBZDO-UHFFFAOYSA-N 1 3 304.360 2.409 20 0 DEADHO C[N@@H+](CCCCNCc1nccn1CC(F)(F)F)C1CC1 ZINC000453590106 536338865 /nfs/dbraw/zinc/33/88/65/536338865.db2.gz ANVZIKPJKLBZDO-UHFFFAOYSA-N 1 3 304.360 2.409 20 0 DEADHO CN(CCN(C)C1CC1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000373505674 536366575 /nfs/dbraw/zinc/36/65/75/536366575.db2.gz VBCAJUMOLUVXIX-OAHLLOKOSA-N 1 3 307.482 2.194 20 0 DEADHO CN(CCN(C)C1CC1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000373505674 536366577 /nfs/dbraw/zinc/36/65/77/536366577.db2.gz VBCAJUMOLUVXIX-OAHLLOKOSA-N 1 3 307.482 2.194 20 0 DEADHO COC1(C[NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)CCCC1 ZINC000359679373 536680152 /nfs/dbraw/zinc/68/01/52/536680152.db2.gz XPVORSYSAIEBFF-GOSISDBHSA-N 1 3 318.461 2.302 20 0 DEADHO CO[C@@]1(C[NH2+][C@H](C)c2cccc(OCCN(C)C)c2)CCOC1 ZINC000359406937 536834493 /nfs/dbraw/zinc/83/44/93/536834493.db2.gz AZIFVRJPVFCTTL-CRAIPNDOSA-N 1 3 322.449 2.083 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC[N@@H+]1CC1CCC1 ZINC001368701286 1148594191 /nfs/dbraw/zinc/59/41/91/1148594191.db2.gz ZTXQMGCDCURTNE-GVDBMIGSSA-N 1 3 309.498 2.342 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC[N@H+]1CC1CCC1 ZINC001368701286 1148594198 /nfs/dbraw/zinc/59/41/98/1148594198.db2.gz ZTXQMGCDCURTNE-GVDBMIGSSA-N 1 3 309.498 2.342 20 0 DEADHO Cc1nc(CCNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)n[nH]1 ZINC001414134420 1152564681 /nfs/dbraw/zinc/56/46/81/1152564681.db2.gz JQWHNOJUNGLGKM-CJNGLKHVSA-N 1 3 305.470 2.288 20 0 DEADHO Cc1n[nH]c(CCNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)n1 ZINC001414134420 1152564687 /nfs/dbraw/zinc/56/46/87/1152564687.db2.gz JQWHNOJUNGLGKM-CJNGLKHVSA-N 1 3 305.470 2.288 20 0 DEADHO CN(CC[N@H+](C)[C@@H]1CCc2ccccc21)C(=O)CN1CCCC1 ZINC001379128505 1152577186 /nfs/dbraw/zinc/57/71/86/1152577186.db2.gz AFPCAQAIFPLYFS-GOSISDBHSA-N 1 3 315.461 2.160 20 0 DEADHO CN(CC[N@@H+](C)[C@@H]1CCc2ccccc21)C(=O)CN1CCCC1 ZINC001379128505 1152577191 /nfs/dbraw/zinc/57/71/91/1152577191.db2.gz AFPCAQAIFPLYFS-GOSISDBHSA-N 1 3 315.461 2.160 20 0 DEADHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CCc1cccs1 ZINC001368735882 1148627523 /nfs/dbraw/zinc/62/75/23/1148627523.db2.gz FDXWQPUTEFVWPL-GJZGRUSLSA-N 1 3 323.506 2.117 20 0 DEADHO CCN1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1C ZINC001379653374 1152665869 /nfs/dbraw/zinc/66/58/69/1152665869.db2.gz SVAUBCQUTDLWJR-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO C[NH+](C)CCC1CC[NH+](Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC000825860373 608620584 /nfs/dbraw/zinc/62/05/84/608620584.db2.gz QPRMXMYLTIDIOR-UHFFFAOYSA-N 1 3 320.466 2.092 20 0 DEADHO C[NH+](C)CCC1CC[NH+](Cc2cc(-c3nn[n-]n3)cs2)CC1 ZINC000825860373 608620585 /nfs/dbraw/zinc/62/05/85/608620585.db2.gz QPRMXMYLTIDIOR-UHFFFAOYSA-N 1 3 320.466 2.092 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]C/C=C\Cl)C(C)(C)C1)N(C)C ZINC001369436044 1148983901 /nfs/dbraw/zinc/98/39/01/1148983901.db2.gz KPSAFLYVRUXDPG-BYTACQFHSA-N 1 3 315.889 2.152 20 0 DEADHO CC[C@H](F)CN1CCC[C@H](NC(=O)CC[N@H+](C)CC)CC1 ZINC001380942933 1152882575 /nfs/dbraw/zinc/88/25/75/1152882575.db2.gz XUYUTHUXBIPRGV-GJZGRUSLSA-N 1 3 301.450 2.047 20 0 DEADHO CC[C@H](F)CN1CCC[C@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001380942933 1152882577 /nfs/dbraw/zinc/88/25/77/1152882577.db2.gz XUYUTHUXBIPRGV-GJZGRUSLSA-N 1 3 301.450 2.047 20 0 DEADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001382159153 1153382222 /nfs/dbraw/zinc/38/22/22/1153382222.db2.gz LIWFGZWBYZRJDH-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(CC[N@H+](C)CCC1CC1)C(=O)CN1CC[C@@H](C)C1 ZINC001382505554 1153456216 /nfs/dbraw/zinc/45/62/16/1153456216.db2.gz JWZDQAXDJPXEMA-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)N(CC[N@@H+](C)CCC1CC1)C(=O)CN1CC[C@@H](C)C1 ZINC001382505554 1153456219 /nfs/dbraw/zinc/45/62/19/1153456219.db2.gz JWZDQAXDJPXEMA-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CCN1CCC([NH2+][C@H]2CCN(CC(F)F)C2)CC1 ZINC000926602184 625458560 /nfs/dbraw/zinc/45/85/60/625458560.db2.gz JYEUXVWUAYBYHA-HNNXBMFYSA-N 1 3 303.441 2.426 20 0 DEADHO CN(CC(=O)N1CCC[C@H](C[NH2+]CC2CCCC2)C1)C1CCC1 ZINC001024018940 625546231 /nfs/dbraw/zinc/54/62/31/625546231.db2.gz UTVXQMYOOHDFOB-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000969947200 623014709 /nfs/dbraw/zinc/01/47/09/623014709.db2.gz BKSLSGFEOSWHIM-WMLDXEAASA-N 1 3 319.424 2.001 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CC2)C1 ZINC001020675774 623059849 /nfs/dbraw/zinc/05/98/49/623059849.db2.gz FLFFZYJSXXFPKV-ULQDDVLXSA-N 1 3 307.482 2.286 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]Cc3ccccc3)C2)CC1 ZINC000970335615 623408681 /nfs/dbraw/zinc/40/86/81/623408681.db2.gz SXQRYWLFYKTVBK-GOSISDBHSA-N 1 3 315.461 2.109 20 0 DEADHO CCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC000970529878 623523366 /nfs/dbraw/zinc/52/33/66/623523366.db2.gz UTXXDQLZJLUSNS-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)([NH3+])CCNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000892860005 625669053 /nfs/dbraw/zinc/66/90/53/625669053.db2.gz HTGSHKZNSOVIIF-UHFFFAOYSA-N 1 3 318.465 2.031 20 0 DEADHO CC(C)C[NH+]1CC([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000970917005 623788998 /nfs/dbraw/zinc/78/89/98/623788998.db2.gz MSQONWJFAKQQFS-HNNXBMFYSA-N 1 3 317.477 2.454 20 0 DEADHO CC(C)[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021604888 623820631 /nfs/dbraw/zinc/82/06/31/623820631.db2.gz IDISTAPAWVZIJR-RDJZCZTQSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021604888 623820638 /nfs/dbraw/zinc/82/06/38/623820638.db2.gz IDISTAPAWVZIJR-RDJZCZTQSA-N 1 3 307.482 2.192 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021667594 623923485 /nfs/dbraw/zinc/92/34/85/623923485.db2.gz GBOMWCKJKGUSIY-IAGOWNOFSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021667594 623923489 /nfs/dbraw/zinc/92/34/89/623923489.db2.gz GBOMWCKJKGUSIY-IAGOWNOFSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CC2=CCCCC2)C1)C1CC1 ZINC000971687586 624505152 /nfs/dbraw/zinc/50/51/52/624505152.db2.gz ZSBRSYJYIUWUQI-ROUUACIJSA-N 1 3 319.493 2.360 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC2=CCCCC2)C1)C1CC1 ZINC000971687586 624505158 /nfs/dbraw/zinc/50/51/58/624505158.db2.gz ZSBRSYJYIUWUQI-ROUUACIJSA-N 1 3 319.493 2.360 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NCCC(C)(C)[NH3+])CN1Cc1ccccc1 ZINC000891674056 624526186 /nfs/dbraw/zinc/52/61/86/624526186.db2.gz VIMVDAKYCMJOOI-ZBFHGGJFSA-N 1 3 318.465 2.076 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2F)C1 ZINC001022710631 624861146 /nfs/dbraw/zinc/86/11/46/624861146.db2.gz MASWXTSLZFBBRU-BMFZPTHFSA-N 1 3 319.424 2.047 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001022711951 624864131 /nfs/dbraw/zinc/86/41/31/624864131.db2.gz GMXICZBKSNTEKI-OIISXLGYSA-N 1 3 305.466 2.208 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC2)C1 ZINC001022807105 624937526 /nfs/dbraw/zinc/93/75/26/624937526.db2.gz DVAIPZSSSMJYEO-BBWFWOEESA-N 1 3 307.482 2.286 20 0 DEADHO COc1ccc(CCNC(=[NH2+])NCCN2CCCCCC2)cc1 ZINC000066245413 625058003 /nfs/dbraw/zinc/05/80/03/625058003.db2.gz VKSADPDJVPELNO-UHFFFAOYSA-N 1 3 318.465 2.228 20 0 DEADHO C[N@H+](CC1CC2(CCC2)C1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972426846 625071543 /nfs/dbraw/zinc/07/15/43/625071543.db2.gz QQIQYPIEWSGDLI-MRXNPFEDSA-N 1 3 316.449 2.065 20 0 DEADHO C[N@@H+](CC1CC2(CCC2)C1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972426846 625071547 /nfs/dbraw/zinc/07/15/47/625071547.db2.gz QQIQYPIEWSGDLI-MRXNPFEDSA-N 1 3 316.449 2.065 20 0 DEADHO CC[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCCCCC1 ZINC001026088672 625130735 /nfs/dbraw/zinc/13/07/35/625130735.db2.gz NHZFQYUUNMPAEU-DZVNLGKHSA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCCCCC1 ZINC001026088672 625130739 /nfs/dbraw/zinc/13/07/39/625130739.db2.gz NHZFQYUUNMPAEU-DZVNLGKHSA-N 1 3 321.509 2.343 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001023130759 625164989 /nfs/dbraw/zinc/16/49/89/625164989.db2.gz GKKAWMDPXGJMGW-KSZLIROESA-N 1 3 315.461 2.298 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001023364953 625239267 /nfs/dbraw/zinc/23/92/67/625239267.db2.gz STZZEMPGORKNSI-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001023364953 625239270 /nfs/dbraw/zinc/23/92/70/625239270.db2.gz STZZEMPGORKNSI-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001023402317 625253749 /nfs/dbraw/zinc/25/37/49/625253749.db2.gz KBKWKBOFYAFNHB-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO CCCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001023402317 625253756 /nfs/dbraw/zinc/25/37/56/625253756.db2.gz KBKWKBOFYAFNHB-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518523 634507719 /nfs/dbraw/zinc/50/77/19/634507719.db2.gz VPBOOBCGIGPZME-FGTMMUONSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518523 634507722 /nfs/dbraw/zinc/50/77/22/634507722.db2.gz VPBOOBCGIGPZME-FGTMMUONSA-N 1 3 321.509 2.297 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CC2=CCCCC2)C1)C1CC1 ZINC000999369008 634577259 /nfs/dbraw/zinc/57/72/59/634577259.db2.gz ILAPMIKFIGVMNA-MSOLQXFVSA-N 1 3 319.493 2.408 20 0 DEADHO Cc1cc(C[NH2+]C2CC(N(C)C(=O)CN3CCCC3)C2)cs1 ZINC000999833033 634691017 /nfs/dbraw/zinc/69/10/17/634691017.db2.gz KUVUKPPFUGHWEZ-UHFFFAOYSA-N 1 3 321.490 2.231 20 0 DEADHO CCC1([NH+]2CCCC2)CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2C)CC1 ZINC000925346669 634772854 /nfs/dbraw/zinc/77/28/54/634772854.db2.gz UAVJCAQOPNGDFF-HZPDHXFCSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC001000188588 634783703 /nfs/dbraw/zinc/78/37/03/634783703.db2.gz BNOVTTHPLRQOLF-WMZOPIPTSA-N 1 3 315.461 2.252 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]Cc3ccsc3)C2)C1 ZINC001000203067 634788671 /nfs/dbraw/zinc/78/86/71/634788671.db2.gz VFKAFWKOGMLNMA-GOEBONIOSA-N 1 3 321.490 2.171 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001000195960 634784917 /nfs/dbraw/zinc/78/49/17/634784917.db2.gz BMXYPEHJQBELHH-WMZOPIPTSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCC2CC2)C(C)(C)C1 ZINC000995800234 633118937 /nfs/dbraw/zinc/11/89/37/633118937.db2.gz WXFTULDJUYHCIK-IAGOWNOFSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)=CCN1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974577839 633156410 /nfs/dbraw/zinc/15/64/10/633156410.db2.gz OBGBXIKSBPKDNF-IAGOWNOFSA-N 1 3 319.493 2.121 20 0 DEADHO CN(C)C1(C(=O)N2CCC([NH2+]CC3CCCC3)CC2)CCC1 ZINC000996667717 633339020 /nfs/dbraw/zinc/33/90/20/633339020.db2.gz WXNXNCCJCKCPPE-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO CCC[NH2+]C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000997007809 633560545 /nfs/dbraw/zinc/56/05/45/633560545.db2.gz QKNFDIOGFCVWFW-QGZVFWFLSA-N 1 3 313.461 2.190 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]CC2CCC2)CC1 ZINC000997366365 633716506 /nfs/dbraw/zinc/71/65/06/633716506.db2.gz DGZOAKLLABYYSS-QGZVFWFLSA-N 1 3 307.482 2.242 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC2=CCCCC2)CC1 ZINC000997609071 633898480 /nfs/dbraw/zinc/89/84/80/633898480.db2.gz XZSDELSQTRMTCF-SFHVURJKSA-N 1 3 319.493 2.409 20 0 DEADHO CCN(C(=O)[C@H]1CCCN1C)[C@H]1CCC[N@H+](CC(C)C)CC1 ZINC000997950789 634075050 /nfs/dbraw/zinc/07/50/50/634075050.db2.gz UJIRIXDYYHXNCK-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CCN(C(=O)[C@H]1CCCN1C)[C@H]1CCC[N@@H+](CC(C)C)CC1 ZINC000997950789 634075056 /nfs/dbraw/zinc/07/50/56/634075056.db2.gz UJIRIXDYYHXNCK-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[N@@H+]1C[C@H](NC(=O)c2ccccc2CN(C)C)C(C)(C)C1 ZINC000977622129 634075317 /nfs/dbraw/zinc/07/53/17/634075317.db2.gz PBRAVHSXLRCCCD-INIZCTEOSA-N 1 3 303.450 2.208 20 0 DEADHO CC[N@H+]1C[C@H](NC(=O)c2ccccc2CN(C)C)C(C)(C)C1 ZINC000977622129 634075318 /nfs/dbraw/zinc/07/53/18/634075318.db2.gz PBRAVHSXLRCCCD-INIZCTEOSA-N 1 3 303.450 2.208 20 0 DEADHO CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C[C@@H]2C1 ZINC000980171486 634878445 /nfs/dbraw/zinc/87/84/45/634878445.db2.gz LZZSNVVHWJKTCR-ARFHVFGLSA-N 1 3 307.482 2.097 20 0 DEADHO CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C[C@@H]2C1 ZINC000980171486 634878448 /nfs/dbraw/zinc/87/84/48/634878448.db2.gz LZZSNVVHWJKTCR-ARFHVFGLSA-N 1 3 307.482 2.097 20 0 DEADHO CCC[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC000980477156 635016066 /nfs/dbraw/zinc/01/60/66/635016066.db2.gz CBSHPYUIGYJCQK-INIZCTEOSA-N 1 3 303.450 2.305 20 0 DEADHO CCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC000980477156 635016068 /nfs/dbraw/zinc/01/60/68/635016068.db2.gz CBSHPYUIGYJCQK-INIZCTEOSA-N 1 3 303.450 2.305 20 0 DEADHO CC(C)=CCN1CCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001027964438 635098998 /nfs/dbraw/zinc/09/89/98/635098998.db2.gz KTFSEXQOAUOFLL-KRWDZBQOSA-N 1 3 319.493 2.409 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC2CC2)C1 ZINC001000381153 635166270 /nfs/dbraw/zinc/16/62/70/635166270.db2.gz XWYAYGBMBKYHOU-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000981538591 635522101 /nfs/dbraw/zinc/52/21/01/635522101.db2.gz PTRAFNYOURAZGW-SJORKVTESA-N 1 3 303.450 2.399 20 0 DEADHO CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000981538589 635522453 /nfs/dbraw/zinc/52/24/53/635522453.db2.gz PTRAFNYOURAZGW-IAGOWNOFSA-N 1 3 303.450 2.399 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC2(C1)CCC[N@H+](CC1CCC1)C2)C1CC1 ZINC000981812156 635666130 /nfs/dbraw/zinc/66/61/30/635666130.db2.gz HTXINRBOHVLJAD-QGZVFWFLSA-N 1 3 319.493 2.051 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](CC1CCC1)C2)C1CC1 ZINC000981812156 635666131 /nfs/dbraw/zinc/66/61/31/635666131.db2.gz HTXINRBOHVLJAD-QGZVFWFLSA-N 1 3 319.493 2.051 20 0 DEADHO COc1ccc2c(c1)nc(CNCC1CC[NH+](C)CC1)n2C ZINC000893662455 635739732 /nfs/dbraw/zinc/73/97/32/635739732.db2.gz XVYGGQWGNNXUEY-UHFFFAOYSA-N 1 3 302.422 2.013 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC1CC[NH+](CC[C@H](C)F)CC1 ZINC001002792452 635799363 /nfs/dbraw/zinc/79/93/63/635799363.db2.gz OKWCZOFPYOEALQ-HOCLYGCPSA-N 1 3 313.461 2.188 20 0 DEADHO CCCCN1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC000982151345 635891078 /nfs/dbraw/zinc/89/10/78/635891078.db2.gz ACRDUBRJGAQPHK-SJORKVTESA-N 1 3 307.482 2.338 20 0 DEADHO CCCCN1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC000982151345 635891081 /nfs/dbraw/zinc/89/10/81/635891081.db2.gz ACRDUBRJGAQPHK-SJORKVTESA-N 1 3 307.482 2.338 20 0 DEADHO C[C@@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(F)cc(F)c1 ZINC000925850857 635949931 /nfs/dbraw/zinc/94/99/31/635949931.db2.gz CKNJENONKGQJKQ-ABAIWWIYSA-N 1 3 324.371 2.301 20 0 DEADHO CC[C@@H](C(=O)N1C[C@]2(C)C[N@H+](CC3CCC3)C[C@]2(C)C1)N(C)C ZINC000982561227 636265406 /nfs/dbraw/zinc/26/54/06/636265406.db2.gz UJPHASYDRKPDCG-YTQUADARSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@@H](C(=O)N1C[C@]2(C)C[N@@H+](CC3CCC3)C[C@]2(C)C1)N(C)C ZINC000982561227 636265407 /nfs/dbraw/zinc/26/54/07/636265407.db2.gz UJPHASYDRKPDCG-YTQUADARSA-N 1 3 321.509 2.297 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001028579768 636373001 /nfs/dbraw/zinc/37/30/01/636373001.db2.gz IKTRRCFRRGXNKO-IAGOWNOFSA-N 1 3 307.482 2.099 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001028579768 636373004 /nfs/dbraw/zinc/37/30/04/636373004.db2.gz IKTRRCFRRGXNKO-IAGOWNOFSA-N 1 3 307.482 2.099 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001028579767 636373059 /nfs/dbraw/zinc/37/30/59/636373059.db2.gz IKTRRCFRRGXNKO-DLBZAZTESA-N 1 3 307.482 2.099 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001028579767 636373062 /nfs/dbraw/zinc/37/30/62/636373062.db2.gz IKTRRCFRRGXNKO-DLBZAZTESA-N 1 3 307.482 2.099 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H]3C[N@@H+](CC4CC4)C[C@H]3CC2)CCC1 ZINC000946621290 636472670 /nfs/dbraw/zinc/47/26/70/636472670.db2.gz SMAWZTBSKMQIHY-CALCHBBNSA-N 1 3 319.493 2.051 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H]3C[N@H+](CC4CC4)C[C@H]3CC2)CCC1 ZINC000946621290 636472675 /nfs/dbraw/zinc/47/26/75/636472675.db2.gz SMAWZTBSKMQIHY-CALCHBBNSA-N 1 3 319.493 2.051 20 0 DEADHO Cc1nc(CN2CCC(C[NH2+]Cc3c[nH]cn3)CC2)oc1C ZINC000894231936 636511383 /nfs/dbraw/zinc/51/13/83/636511383.db2.gz UTQYRIBFGCILKY-UHFFFAOYSA-N 1 3 303.410 2.016 20 0 DEADHO COC(=O)c1cc(C[NH2+]C[C@H]2CCCN(C)C2)[nH]c1C(C)C ZINC000894254216 636575785 /nfs/dbraw/zinc/57/57/85/636575785.db2.gz LUNHWRMDNRHWHI-CYBMUJFWSA-N 1 3 307.438 2.356 20 0 DEADHO COC1(OC)CC[C@H]1NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000924940653 636607687 /nfs/dbraw/zinc/60/76/87/636607687.db2.gz NXAUVAYFRRWACA-QGZVFWFLSA-N 1 3 322.449 2.258 20 0 DEADHO C[C@H]([NH2+]CC1CCC1)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001004942826 636614875 /nfs/dbraw/zinc/61/48/75/636614875.db2.gz BDHMMOCLOPYJMA-XJKSGUPXSA-N 1 3 304.438 2.112 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)C2CC[NH+](CC3CCCC3)CC2)C1 ZINC001005992996 637049500 /nfs/dbraw/zinc/04/95/00/637049500.db2.gz XCOIYXYOLXTNBV-MRXNPFEDSA-N 1 3 321.509 2.441 20 0 DEADHO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000923279076 637079118 /nfs/dbraw/zinc/07/91/18/637079118.db2.gz COMFBMLIXSHNCH-RYQLBKOJSA-N 1 3 319.493 2.336 20 0 DEADHO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000923279076 637079125 /nfs/dbraw/zinc/07/91/25/637079125.db2.gz COMFBMLIXSHNCH-RYQLBKOJSA-N 1 3 319.493 2.336 20 0 DEADHO C[C@@](C[NH3+])(NC[C@@H](O)Cc1ccccc1C(F)(F)F)C1CC1 ZINC000923296461 637097566 /nfs/dbraw/zinc/09/75/66/637097566.db2.gz SFKWVPYFNJYJFB-ZFWWWQNUSA-N 1 3 316.367 2.326 20 0 DEADHO CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1CN(C)CC2)[NH+]1CCCCC1 ZINC000923297548 637099146 /nfs/dbraw/zinc/09/91/46/637099146.db2.gz CRAMBWSAEDFQPG-IXDOHACOSA-N 1 3 307.482 2.192 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]2CN(C[C@@H](O)COc3ccccc3Cl)C[C@H]21 ZINC000923331257 637116501 /nfs/dbraw/zinc/11/65/01/637116501.db2.gz FGHVNFHVYXAZDC-IXYNUQLISA-N 1 3 324.852 2.139 20 0 DEADHO CC(C)c1ccc(-c2ncc(CNC(CN)C[NH3+])s2)cc1 ZINC000923351359 637133811 /nfs/dbraw/zinc/13/38/11/637133811.db2.gz JOLMKMXCLOHUCU-UHFFFAOYSA-N 1 3 304.463 2.309 20 0 DEADHO O[C@H](CN1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccc(F)cc1F ZINC000923364074 637136822 /nfs/dbraw/zinc/13/68/22/637136822.db2.gz GWNYRKNMIWUAQK-DLBZAZTESA-N 1 3 310.388 2.462 20 0 DEADHO CCCOc1ccc2c(c1)CCN(C[C@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000923373528 637144538 /nfs/dbraw/zinc/14/45/38/637144538.db2.gz OIFQUGOYBMNMCN-GOSISDBHSA-N 1 3 316.445 2.212 20 0 DEADHO Cc1ccccc1OC[C@H](O)CN1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000923385417 637154251 /nfs/dbraw/zinc/15/42/51/637154251.db2.gz AYVZGHPNTASRJZ-OIISXLGYSA-N 1 3 306.450 2.184 20 0 DEADHO C[C@@H]1CCCN(C[C@H](O)COc2ccc(F)cc2)[C@H]1CC[NH3+] ZINC000923385367 637154303 /nfs/dbraw/zinc/15/43/03/637154303.db2.gz AIFLOIBZUZIOGA-KMFMINBZSA-N 1 3 310.413 2.015 20 0 DEADHO COc1ccc([C@H]2CCCN2C[C@H]2CC3(C[NH2+]C3)CO2)cc1F ZINC000923392483 637154531 /nfs/dbraw/zinc/15/45/31/637154531.db2.gz WTFAAHRNVCASFW-GDBMZVCRSA-N 1 3 320.408 2.350 20 0 DEADHO CC[C@@H]1c2ccsc2CCN1C(=O)CN1CC[C@H](CC[NH3+])C1 ZINC000923486785 637200292 /nfs/dbraw/zinc/20/02/92/637200292.db2.gz JSOSPIGVDOENCE-DZGCQCFKSA-N 1 3 321.490 2.255 20 0 DEADHO [NH3+]CC[C@@H]1CCN(CCOc2ccccc2Br)C1 ZINC000923481592 637203290 /nfs/dbraw/zinc/20/32/90/637203290.db2.gz SDSBZCUGISRFGH-GFCCVEGCSA-N 1 3 313.239 2.499 20 0 DEADHO C[C@H](NC(=O)CN1CC[C@H](CC[NH3+])C1)c1ccccc1Cl ZINC000923488650 637209114 /nfs/dbraw/zinc/20/91/14/637209114.db2.gz LRPCBYROIMSKMW-STQMWFEESA-N 1 3 309.841 2.188 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCC2)C1 ZINC000983662620 637211146 /nfs/dbraw/zinc/21/11/46/637211146.db2.gz SRTOLHXDEMYQKI-BRWVUGGUSA-N 1 3 307.482 2.144 20 0 DEADHO C[C@H](NC(=O)CN1CC[C@@H](C[NH3+])[C@H](C)C1)c1ccc(Cl)cc1 ZINC000923503143 637213944 /nfs/dbraw/zinc/21/39/44/637213944.db2.gz HCMNPDBAVYSOQG-IPYPFGDCSA-N 1 3 323.868 2.434 20 0 DEADHO CCN(Cc1cccc(F)c1)C(=O)CN1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923499152 637215807 /nfs/dbraw/zinc/21/58/07/637215807.db2.gz KOIIRJZVPLOQET-GOEBONIOSA-N 1 3 321.440 2.091 20 0 DEADHO O=C(CCN1C[C@@H]2CC[NH2+]C[C@@H]2C1)Nc1cccc(Cl)c1 ZINC000923522335 637231636 /nfs/dbraw/zinc/23/16/36/637231636.db2.gz TWTZSJYSPXUECU-QWHCGFSZSA-N 1 3 307.825 2.210 20 0 DEADHO C[C@@H]([NH2+]CC1CCC1)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001029108490 637240348 /nfs/dbraw/zinc/24/03/48/637240348.db2.gz KQPDAOVABOEMBX-OAHLLOKOSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNc1ccncc1CO ZINC000894866150 637274326 /nfs/dbraw/zinc/27/43/26/637274326.db2.gz SGTMCYIXBLCCKE-NVXWUHKLSA-N 1 3 311.429 2.176 20 0 DEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNc1ccncc1CO ZINC000894866150 637274328 /nfs/dbraw/zinc/27/43/28/637274328.db2.gz SGTMCYIXBLCCKE-NVXWUHKLSA-N 1 3 311.429 2.176 20 0 DEADHO C[N@@H+]1CCC[C@@H](CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000838150623 637473076 /nfs/dbraw/zinc/47/30/76/637473076.db2.gz VGICNNPBGHEYTI-YOEHRIQHSA-N 1 3 313.461 2.047 20 0 DEADHO C[N@H+]1CCC[C@@H](CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000838150623 637473078 /nfs/dbraw/zinc/47/30/78/637473078.db2.gz VGICNNPBGHEYTI-YOEHRIQHSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H](NCCC(=O)N1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000838930038 637719480 /nfs/dbraw/zinc/71/94/80/637719480.db2.gz QBHAROSPYXNKSQ-JKSUJKDBSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H](NCCC(=O)N1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000838930038 637719491 /nfs/dbraw/zinc/71/94/91/637719491.db2.gz QBHAROSPYXNKSQ-JKSUJKDBSA-N 1 3 307.482 2.242 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)NCC[C@@H](C)[NH+](C)C)c1 ZINC000895294487 637894215 /nfs/dbraw/zinc/89/42/15/637894215.db2.gz QHPDXPLHJJPBPF-UONOGXRCSA-N 1 3 307.438 2.342 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)[NH2+]CC[C@@H](C)N(C)C)c1 ZINC000895294487 637894220 /nfs/dbraw/zinc/89/42/20/637894220.db2.gz QHPDXPLHJJPBPF-UONOGXRCSA-N 1 3 307.438 2.342 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccsc3)C2)C1 ZINC000984806430 638693976 /nfs/dbraw/zinc/69/39/76/638693976.db2.gz XWWNMWKWSGIOAN-FVQBIDKESA-N 1 3 321.490 2.074 20 0 DEADHO CCCN(CCN(C)C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000897233925 639265847 /nfs/dbraw/zinc/26/58/47/639265847.db2.gz BCZTXNZTWWHXDN-QZTJIDSGSA-N 1 3 317.477 2.480 20 0 DEADHO CCCN(CCN(C)C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000897233925 639265851 /nfs/dbraw/zinc/26/58/51/639265851.db2.gz BCZTXNZTWWHXDN-QZTJIDSGSA-N 1 3 317.477 2.480 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CC2=CCCCC2)C1 ZINC001029583164 639320782 /nfs/dbraw/zinc/32/07/82/639320782.db2.gz OALFYSJALVJYSD-OKZBNKHCSA-N 1 3 317.477 2.114 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CC2=CCCCC2)C1 ZINC001029583164 639320786 /nfs/dbraw/zinc/32/07/86/639320786.db2.gz OALFYSJALVJYSD-OKZBNKHCSA-N 1 3 317.477 2.114 20 0 DEADHO COC(=O)c1ccccc1CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000897309571 639400693 /nfs/dbraw/zinc/40/06/93/639400693.db2.gz JIZJSUJRPZFAQW-HZPDHXFCSA-N 1 3 302.418 2.232 20 0 DEADHO COC(=O)c1ccccc1CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000897309571 639400699 /nfs/dbraw/zinc/40/06/99/639400699.db2.gz JIZJSUJRPZFAQW-HZPDHXFCSA-N 1 3 302.418 2.232 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC(N(C)CCF)CC1 ZINC000985686470 639582418 /nfs/dbraw/zinc/58/24/18/639582418.db2.gz MDBQHAQROJYMMW-INIZCTEOSA-N 1 3 313.461 2.142 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC(N(C)CCF)CC1 ZINC000985686470 639582421 /nfs/dbraw/zinc/58/24/21/639582421.db2.gz MDBQHAQROJYMMW-INIZCTEOSA-N 1 3 313.461 2.142 20 0 DEADHO C[NH+]1CCC([C@@H]2CCN(CN3C(=O)C(C)(C)C3(C)C)C2)CC1 ZINC000755779035 639587964 /nfs/dbraw/zinc/58/79/64/639587964.db2.gz PQAIMAIUVRVVHL-OAHLLOKOSA-N 1 3 307.482 2.255 20 0 DEADHO C[C@@H](NC1COC(C)(C)OC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000757697301 639870970 /nfs/dbraw/zinc/87/09/70/639870970.db2.gz IFDOXWVPZQCMAJ-CQSZACIVSA-N 1 3 322.449 2.429 20 0 DEADHO C[C@H]1[C@H]([NH2+]CC2CCCC2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986933582 640019475 /nfs/dbraw/zinc/01/94/75/640019475.db2.gz CDXJUCRAGSOIMR-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1[C@H]([NH2+]Cc2ccc(F)cc2)CCN1C(=O)CN1CCCC1 ZINC000987521099 640212534 /nfs/dbraw/zinc/21/25/34/640212534.db2.gz WXTRMMPARDBDCI-RHSMWYFYSA-N 1 3 319.424 2.001 20 0 DEADHO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)c1ccc2c(c1)CNC2 ZINC000841848580 650578715 /nfs/dbraw/zinc/57/87/15/650578715.db2.gz NEDPZBHHEZQACO-UHFFFAOYSA-N 1 3 307.397 2.342 20 0 DEADHO CN1c2ccc(CN[C@H]3CCCC[C@H]3C[NH3+])cc2CCC1=O ZINC000841027645 640840067 /nfs/dbraw/zinc/84/00/67/640840067.db2.gz DPURAPALYORWCN-HOTGVXAUSA-N 1 3 301.434 2.203 20 0 DEADHO COCOc1ccc(OC)cc1CN1CCC(C[NH+](C)C)CC1 ZINC000768304078 641067373 /nfs/dbraw/zinc/06/73/73/641067373.db2.gz WDVPUTSVVLJBDT-UHFFFAOYSA-N 1 3 322.449 2.452 20 0 DEADHO CC(C)(O)C[NH+]1CCC(N[C@@H](c2ccncc2)C2CC2)CC1 ZINC000898319770 641087418 /nfs/dbraw/zinc/08/74/18/641087418.db2.gz HNLRIQYOWCSGNV-QGZVFWFLSA-N 1 3 303.450 2.358 20 0 DEADHO CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000989827142 641249245 /nfs/dbraw/zinc/24/92/45/641249245.db2.gz YZWDAIFVPCBJNY-WMLDXEAASA-N 1 3 303.450 2.351 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CC2CC2)CN1C(=O)c1cccc(CN(C)C)c1 ZINC000989826828 641249315 /nfs/dbraw/zinc/24/93/15/641249315.db2.gz UQSWOKJNOCGXTH-KBXCAEBGSA-N 1 3 315.461 2.351 20 0 DEADHO CCc1noc(C)c1[C@@H](C)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000769879118 641304899 /nfs/dbraw/zinc/30/48/99/641304899.db2.gz ZZOWQULFJILFBN-UKRRQHHQSA-N 1 3 309.454 2.433 20 0 DEADHO CCc1noc(C)c1[C@@H](C)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000769879118 641304905 /nfs/dbraw/zinc/30/49/05/641304905.db2.gz ZZOWQULFJILFBN-UKRRQHHQSA-N 1 3 309.454 2.433 20 0 DEADHO COC(=O)COc1c(C)cc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1C ZINC000841057678 641499914 /nfs/dbraw/zinc/49/99/14/641499914.db2.gz LBYHTBRBEQQSKS-HZPDHXFCSA-N 1 3 320.433 2.215 20 0 DEADHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc2ncsc2c1 ZINC000776816833 642210191 /nfs/dbraw/zinc/21/01/91/642210191.db2.gz RQTIIRZZDXJIOL-GXTWGEPZSA-N 1 3 305.447 2.404 20 0 DEADHO C[NH+](C)C(C)(C)CNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000899965677 642224831 /nfs/dbraw/zinc/22/48/31/642224831.db2.gz ZTANTCSOXBHERY-UHFFFAOYSA-N 1 3 302.422 2.361 20 0 DEADHO C[C@@H]1CN(C(=O)Nc2cccc(CN(C)C)c2)CC[C@@H]1C[NH3+] ZINC000900473369 642387654 /nfs/dbraw/zinc/38/76/54/642387654.db2.gz CRJRQGHUYKCKEV-UKRRQHHQSA-N 1 3 304.438 2.197 20 0 DEADHO CN(CCCCCCC[NH3+])[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000842473173 650748191 /nfs/dbraw/zinc/74/81/91/650748191.db2.gz QJKMSLHXNMZIPT-LSDHHAIUSA-N 1 3 304.500 2.183 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000900708026 642448608 /nfs/dbraw/zinc/44/86/08/642448608.db2.gz GUUBQFKPCCTULS-CABCVRRESA-N 1 3 304.438 2.065 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000900708026 642448610 /nfs/dbraw/zinc/44/86/10/642448610.db2.gz GUUBQFKPCCTULS-CABCVRRESA-N 1 3 304.438 2.065 20 0 DEADHO CC(=O)N1CCC([NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)CC1 ZINC000781427364 642750738 /nfs/dbraw/zinc/75/07/38/642750738.db2.gz VFJCYYJXCJCSOR-GOEBONIOSA-N 1 3 307.482 2.240 20 0 DEADHO COc1cc(OC)cc([C@H](O)CN[C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902331046 643008051 /nfs/dbraw/zinc/00/80/51/643008051.db2.gz SAPVAJBVBRPKSJ-RHSMWYFYSA-N 1 3 322.449 2.105 20 0 DEADHO C[C@@H]1C[C@]2(CC[C@H](CNC3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)O2)CO1 ZINC000903219174 643293956 /nfs/dbraw/zinc/29/39/56/643293956.db2.gz GMVYGLBGPSJXFO-IMGWSGCXSA-N 1 3 320.477 2.460 20 0 DEADHO C[C@@H]1C[C@]2(CC[C@H](CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)O2)CO1 ZINC000903219174 643293957 /nfs/dbraw/zinc/29/39/57/643293957.db2.gz GMVYGLBGPSJXFO-IMGWSGCXSA-N 1 3 320.477 2.460 20 0 DEADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NC2CC(CC(N)=O)C2)CC1 ZINC000903261104 643303617 /nfs/dbraw/zinc/30/36/17/643303617.db2.gz PQGPRYNUPMEDGH-DXCHVLGVSA-N 1 3 307.482 2.273 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903385474 643337009 /nfs/dbraw/zinc/33/70/09/643337009.db2.gz XKKCSSJSUWSROD-FHLIZLRMSA-N 1 3 302.466 2.147 20 0 DEADHO Cc1cccc(-c2noc(CN3C[C@@H](C)[C@H](CC[NH3+])C3)n2)c1 ZINC000903496835 643372495 /nfs/dbraw/zinc/37/24/95/643372495.db2.gz GRFRDNSIPYNJQF-UKRRQHHQSA-N 1 3 300.406 2.462 20 0 DEADHO Fc1ccc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c(F)c1 ZINC000903509063 643373606 /nfs/dbraw/zinc/37/36/06/643373606.db2.gz ABZFUUXXZWKDQL-CALCHBBNSA-N 1 3 321.415 2.365 20 0 DEADHO Fc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)c(F)c1 ZINC000903509063 643373607 /nfs/dbraw/zinc/37/36/07/643373607.db2.gz ABZFUUXXZWKDQL-CALCHBBNSA-N 1 3 321.415 2.365 20 0 DEADHO Fc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)c(F)c1 ZINC000903509063 643373611 /nfs/dbraw/zinc/37/36/11/643373611.db2.gz ABZFUUXXZWKDQL-CALCHBBNSA-N 1 3 321.415 2.365 20 0 DEADHO CC(C)(C)OC[C@@H]1CCC[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000903565449 643385020 /nfs/dbraw/zinc/38/50/20/643385020.db2.gz LGUNGFBCYFMLAL-BZSNNMDCSA-N 1 3 320.477 2.197 20 0 DEADHO CC(C)(C)OC[C@@H]1CCC[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000903565449 643385023 /nfs/dbraw/zinc/38/50/23/643385023.db2.gz LGUNGFBCYFMLAL-BZSNNMDCSA-N 1 3 320.477 2.197 20 0 DEADHO [NH3+]CCCOC1CCN(C[C@@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000903717329 643436778 /nfs/dbraw/zinc/43/67/78/643436778.db2.gz NMFDMFLLMUNZKS-UONOGXRCSA-N 1 3 324.387 2.316 20 0 DEADHO c1cncc([C@H]2CCCN2C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903753506 643447580 /nfs/dbraw/zinc/44/75/80/643447580.db2.gz VKKPUZSDAXYZBN-DLBZAZTESA-N 1 3 301.434 2.377 20 0 DEADHO c1cc([C@H]2CCCN2C[C@H]2CC3(CO2)CC[NH2+]CC3)ccn1 ZINC000903753968 643450467 /nfs/dbraw/zinc/45/04/67/643450467.db2.gz ZMGMRDMGGXHVPA-IAGOWNOFSA-N 1 3 301.434 2.377 20 0 DEADHO CC[C@@H](C)NC(=O)[C@H](C)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793358 643457235 /nfs/dbraw/zinc/45/72/35/643457235.db2.gz BLESZDOHQFTNNM-CVEARBPZSA-N 1 3 317.477 2.282 20 0 DEADHO Fc1cccc(O[C@@H]2CCN(C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)c1 ZINC000903779442 643459527 /nfs/dbraw/zinc/45/95/27/643459527.db2.gz ZJPUVNNLDXCHMM-KZNAEPCWSA-N 1 3 320.408 2.047 20 0 DEADHO C([C@H]1CCC2(CCCC2)O1)[N@@H+]1CCNCCC12CCOCC2 ZINC000903818965 643471981 /nfs/dbraw/zinc/47/19/81/643471981.db2.gz ZWQITEFBZQWAGQ-MRXNPFEDSA-N 1 3 308.466 2.323 20 0 DEADHO C([C@H]1CCC2(CCCC2)O1)[N@H+]1CCNCCC12CCOCC2 ZINC000903818965 643471985 /nfs/dbraw/zinc/47/19/85/643471985.db2.gz ZWQITEFBZQWAGQ-MRXNPFEDSA-N 1 3 308.466 2.323 20 0 DEADHO CC(C)[C@H]1CCCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903896204 643498306 /nfs/dbraw/zinc/49/83/06/643498306.db2.gz TZJGYQMCFIKYGF-JKSUJKDBSA-N 1 3 305.470 2.461 20 0 DEADHO CCS[C@H]1CCCC[N@H+](C[C@H](CN)Cc2cnn(C)c2C)C1 ZINC000903893194 643498990 /nfs/dbraw/zinc/49/89/90/643498990.db2.gz SCCCBRZGWZWJMP-RDJZCZTQSA-N 1 3 324.538 2.454 20 0 DEADHO CCS[C@H]1CCCC[N@@H+](C[C@H](CN)Cc2cnn(C)c2C)C1 ZINC000903893194 643498992 /nfs/dbraw/zinc/49/89/92/643498992.db2.gz SCCCBRZGWZWJMP-RDJZCZTQSA-N 1 3 324.538 2.454 20 0 DEADHO CCS[C@H]1CCCCN(C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903893194 643498996 /nfs/dbraw/zinc/49/89/96/643498996.db2.gz SCCCBRZGWZWJMP-RDJZCZTQSA-N 1 3 324.538 2.454 20 0 DEADHO CCS[C@@H]1CCCC[N@H+](C[C@@H](CN)Cc2cnn(C)c2C)C1 ZINC000903893193 643499311 /nfs/dbraw/zinc/49/93/11/643499311.db2.gz SCCCBRZGWZWJMP-NVXWUHKLSA-N 1 3 324.538 2.454 20 0 DEADHO CCS[C@@H]1CCCC[N@@H+](C[C@@H](CN)Cc2cnn(C)c2C)C1 ZINC000903893193 643499314 /nfs/dbraw/zinc/49/93/14/643499314.db2.gz SCCCBRZGWZWJMP-NVXWUHKLSA-N 1 3 324.538 2.454 20 0 DEADHO CCS[C@@H]1CCCCN(C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903893193 643499317 /nfs/dbraw/zinc/49/93/17/643499317.db2.gz SCCCBRZGWZWJMP-NVXWUHKLSA-N 1 3 324.538 2.454 20 0 DEADHO CCc1ccccc1CNC[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903922799 643508797 /nfs/dbraw/zinc/50/87/97/643508797.db2.gz FEGDHAHPJUVPNS-OAHLLOKOSA-N 1 3 300.450 2.198 20 0 DEADHO CCCN(CC(=O)Nc1ccccc1OC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904337115 643633973 /nfs/dbraw/zinc/63/39/73/643633973.db2.gz OFKNECWNLXUYGT-OKILXGFUSA-N 1 3 305.422 2.083 20 0 DEADHO COc1cc(OC)c(OC)cc1CN1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904410091 643661148 /nfs/dbraw/zinc/66/11/48/643661148.db2.gz AISUPONRMNKNTJ-OLZOCXBDSA-N 1 3 308.422 2.129 20 0 DEADHO COc1cc(OC)c(CN2CC[C@@H](C[NH3+])[C@H](C)C2)c(OC)c1 ZINC000904411517 643662136 /nfs/dbraw/zinc/66/21/36/643662136.db2.gz LKCGIZSBBRDCQO-OLZOCXBDSA-N 1 3 308.422 2.129 20 0 DEADHO CCC[C@](C)([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000904468416 643676723 /nfs/dbraw/zinc/67/67/23/643676723.db2.gz CERWNXPTUBRNCY-LPHOPBHVSA-N 1 3 317.477 2.489 20 0 DEADHO COC(=O)c1ccc2c(c1)OCCN(C[C@H]1CC[NH2+][C@H](C)C1)C2 ZINC000904475383 643677884 /nfs/dbraw/zinc/67/78/84/643677884.db2.gz OJWAHJSNNYPSAO-KGLIPLIRSA-N 1 3 318.417 2.056 20 0 DEADHO O[C@@H](CNCc1ccccc1C[NH+]1CCCCC1)C1(O)CCC1 ZINC000905022674 643774308 /nfs/dbraw/zinc/77/43/08/643774308.db2.gz CCIDXVARRDNLKP-SFHVURJKSA-N 1 3 318.461 2.038 20 0 DEADHO C[C@](O)(CNC[C@H]1CC[N@@H+](C2CC2)C1)C(F)(F)C(F)(F)F ZINC000905058059 643782622 /nfs/dbraw/zinc/78/26/22/643782622.db2.gz CFCIMQADFDCSAZ-KOLCDFICSA-N 1 3 316.314 2.009 20 0 DEADHO C[C@](O)(CNC[C@H]1CC[N@H+](C2CC2)C1)C(F)(F)C(F)(F)F ZINC000905058059 643782625 /nfs/dbraw/zinc/78/26/25/643782625.db2.gz CFCIMQADFDCSAZ-KOLCDFICSA-N 1 3 316.314 2.009 20 0 DEADHO C[C@](O)(C[NH2+]C[C@H]1CCN(C2CC2)C1)C(F)(F)C(F)(F)F ZINC000905058059 643782630 /nfs/dbraw/zinc/78/26/30/643782630.db2.gz CFCIMQADFDCSAZ-KOLCDFICSA-N 1 3 316.314 2.009 20 0 DEADHO C[C@@H]1CN(C(=O)Nc2cccc(CN(C)C)c2)C[C@H]1CC[NH3+] ZINC000905293382 643848664 /nfs/dbraw/zinc/84/86/64/643848664.db2.gz XDKVCEJWZQPHBQ-UKRRQHHQSA-N 1 3 304.438 2.197 20 0 DEADHO Cn1nc(C(F)(F)F)c(CNC2CCC([NH3+])CC2)c1Cl ZINC000843105586 650895389 /nfs/dbraw/zinc/89/53/89/650895389.db2.gz XYGVERAPZNVCGY-UHFFFAOYSA-N 1 3 310.751 2.452 20 0 DEADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000908421344 644866442 /nfs/dbraw/zinc/86/64/42/644866442.db2.gz CBLNWQNDKKFSEM-SFHVURJKSA-N 1 3 307.482 2.195 20 0 DEADHO C[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000908421344 644866447 /nfs/dbraw/zinc/86/64/47/644866447.db2.gz CBLNWQNDKKFSEM-SFHVURJKSA-N 1 3 307.482 2.195 20 0 DEADHO CCN1CCN(CCC[NH2+]Cc2cc(C)nc(Cl)c2)CC1 ZINC000797601282 644900033 /nfs/dbraw/zinc/90/00/33/644900033.db2.gz NWSVRYJTCSRGEK-UHFFFAOYSA-N 1 3 310.873 2.161 20 0 DEADHO CN1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC12CCCCC2 ZINC000908571048 644912224 /nfs/dbraw/zinc/91/22/24/644912224.db2.gz QXJVKDBPJLQYLF-UHFFFAOYSA-N 1 3 319.493 2.338 20 0 DEADHO CC(C)[C@@H](C(=O)OC[C@@H]1CCC[N@@H+]1Cc1ccco1)N(C)C ZINC000798846400 645088274 /nfs/dbraw/zinc/08/82/74/645088274.db2.gz VZYXKBNEZAKXRA-HOCLYGCPSA-N 1 3 308.422 2.373 20 0 DEADHO CC(C)[C@@H](C(=O)OC[C@@H]1CCC[N@H+]1Cc1ccco1)N(C)C ZINC000798846400 645088281 /nfs/dbraw/zinc/08/82/81/645088281.db2.gz VZYXKBNEZAKXRA-HOCLYGCPSA-N 1 3 308.422 2.373 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000911643615 645760610 /nfs/dbraw/zinc/76/06/10/645760610.db2.gz URKPKHOTQPFCBW-CQSZACIVSA-N 1 3 310.486 2.079 20 0 DEADHO C[NH+](C)[C@H](CC(=O)N[C@@]1(C)CN2CCC1CC2)c1ccccc1 ZINC000912378570 646039227 /nfs/dbraw/zinc/03/92/27/646039227.db2.gz RZYSJSBBPVRPID-MJGOQNOKSA-N 1 3 315.461 2.280 20 0 DEADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1(C)CC1 ZINC000912419607 646067462 /nfs/dbraw/zinc/06/74/62/646067462.db2.gz QPTMVLULIQVWJJ-CQSZACIVSA-N 1 3 322.497 2.033 20 0 DEADHO COC(C[N@H+](C)C[C@H]1CCN(Cc2ccc(C)s2)C1)OC ZINC000809559246 646237061 /nfs/dbraw/zinc/23/70/61/646237061.db2.gz KVXFWTABDRGXEW-CQSZACIVSA-N 1 3 312.479 2.429 20 0 DEADHO COC(C[N@@H+](C)C[C@H]1CCN(Cc2ccc(C)s2)C1)OC ZINC000809559246 646237065 /nfs/dbraw/zinc/23/70/65/646237065.db2.gz KVXFWTABDRGXEW-CQSZACIVSA-N 1 3 312.479 2.429 20 0 DEADHO C[C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)N1CCCCC1 ZINC000810182048 646335571 /nfs/dbraw/zinc/33/55/71/646335571.db2.gz KJVPKBSAVFDOJR-WMLDXEAASA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)N1CCCCC1 ZINC000810182048 646335581 /nfs/dbraw/zinc/33/55/81/646335581.db2.gz KJVPKBSAVFDOJR-WMLDXEAASA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)N1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000810338379 646354055 /nfs/dbraw/zinc/35/40/55/646354055.db2.gz UJFABENZTZZPFU-KRWDZBQOSA-N 1 3 313.461 2.142 20 0 DEADHO CC(C)N1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000810338379 646354063 /nfs/dbraw/zinc/35/40/63/646354063.db2.gz UJFABENZTZZPFU-KRWDZBQOSA-N 1 3 313.461 2.142 20 0 DEADHO CC[C@@H](C)CN1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948755814 646606531 /nfs/dbraw/zinc/60/65/31/646606531.db2.gz MHITWFZBWCZVKT-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C)CN1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948755814 646606534 /nfs/dbraw/zinc/60/65/34/646606534.db2.gz MHITWFZBWCZVKT-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000813522516 646782608 /nfs/dbraw/zinc/78/26/08/646782608.db2.gz YIEMBLQHTCWSHV-GOEBONIOSA-N 1 3 303.450 2.278 20 0 DEADHO C[C@H]1[C@H](NC(=O)NCC2([NH+](C)C)CCCCCC2)CCN1C ZINC000913914584 647096598 /nfs/dbraw/zinc/09/65/98/647096598.db2.gz QRWGOSRGJYSBPU-LSDHHAIUSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H]1[C@@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)CCN1C ZINC000914077614 647147386 /nfs/dbraw/zinc/14/73/86/647147386.db2.gz SAXCHEMKEZESOP-HOCLYGCPSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H]1[C@@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)CCN1C ZINC000914077614 647147389 /nfs/dbraw/zinc/14/73/89/647147389.db2.gz SAXCHEMKEZESOP-HOCLYGCPSA-N 1 3 310.486 2.033 20 0 DEADHO CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC000992685883 647185630 /nfs/dbraw/zinc/18/56/30/647185630.db2.gz GUFHTFGQVVICIV-IXDOHACOSA-N 1 3 321.509 2.488 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@H](O)c1ccccc1C(F)(F)F ZINC000817889972 647372143 /nfs/dbraw/zinc/37/21/43/647372143.db2.gz RDKPKDVKGFNTCI-GDLCADMTSA-N 1 3 302.340 2.456 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(N2CCCC2=O)cc1 ZINC000817897057 647374616 /nfs/dbraw/zinc/37/46/16/647374616.db2.gz CPHXGVAODXBDQZ-PBHICJAKSA-N 1 3 301.434 2.291 20 0 DEADHO CC(C)Oc1cccc([C@H](O)CN[C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000817895959 647374945 /nfs/dbraw/zinc/37/49/45/647374945.db2.gz XZSLAUIQQYMRGS-ZTFGCOKTSA-N 1 3 306.450 2.485 20 0 DEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@]1(O)CCc2ccccc21 ZINC000817917247 647381125 /nfs/dbraw/zinc/38/11/25/647381125.db2.gz NNLSWARKKRJSRN-RYGJVYDSSA-N 1 3 310.441 2.369 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(N2CCOC2=O)cc1 ZINC000817921938 647382344 /nfs/dbraw/zinc/38/23/44/647382344.db2.gz LEBXDIOAJIVAJC-HOCLYGCPSA-N 1 3 303.406 2.250 20 0 DEADHO C[C@H](CC(=O)Nc1cccnc1Cl)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000817948095 647390686 /nfs/dbraw/zinc/39/06/86/647390686.db2.gz VDKGRJYUUJMKNO-FRRDWIJNSA-N 1 3 324.856 2.430 20 0 DEADHO C[C@@H](CC(=O)Nc1cccnc1Cl)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000817971960 647398056 /nfs/dbraw/zinc/39/80/56/647398056.db2.gz SEEYLYKUOOMJHU-WOPDTQHZSA-N 1 3 310.829 2.182 20 0 DEADHO NC1(C[NH2+]C2CCC3(CC2)OCCO3)C2CC3CC(C2)CC1C3 ZINC000817983854 647400633 /nfs/dbraw/zinc/40/06/33/647400633.db2.gz JXRAJQOUUQQVLX-UHFFFAOYSA-N 1 3 320.477 2.415 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000818178811 647428609 /nfs/dbraw/zinc/42/86/09/647428609.db2.gz ULGKZQIEPZPZFX-SFHVURJKSA-N 1 3 309.498 2.443 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000818178811 647428613 /nfs/dbraw/zinc/42/86/13/647428613.db2.gz ULGKZQIEPZPZFX-SFHVURJKSA-N 1 3 309.498 2.443 20 0 DEADHO CCCCCCN(C)CC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000732273982 647555866 /nfs/dbraw/zinc/55/58/66/647555866.db2.gz ICVJQOPFYNGMOS-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO C[NH+](C)CCOc1ccccc1CNC[C@@H](O)c1ccccc1 ZINC000818985720 647558042 /nfs/dbraw/zinc/55/80/42/647558042.db2.gz VFONJRQZYUMXRI-GOSISDBHSA-N 1 3 314.429 2.450 20 0 DEADHO Cc1ccc([C@@H](O)C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000819083813 647580071 /nfs/dbraw/zinc/58/00/71/647580071.db2.gz GIEKBLCNHITZJJ-APWZRJJASA-N 1 3 318.461 2.119 20 0 DEADHO CC(C)OCC[NH+]1CCC(NC[C@H](O)c2ccccc2F)CC1 ZINC000819128563 647588601 /nfs/dbraw/zinc/58/86/01/647588601.db2.gz NCVGLKDVDXJCRG-SFHVURJKSA-N 1 3 324.440 2.338 20 0 DEADHO Cc1ccc([C@H](O)CNCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000819265415 647620804 /nfs/dbraw/zinc/62/08/04/647620804.db2.gz OUEUJKGHHRUICA-FUHWJXTLSA-N 1 3 306.450 2.119 20 0 DEADHO Cc1ccc([C@H](O)CNCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000819265415 647620807 /nfs/dbraw/zinc/62/08/07/647620807.db2.gz OUEUJKGHHRUICA-FUHWJXTLSA-N 1 3 306.450 2.119 20 0 DEADHO C[C@H]1[C@H](NC(=O)C23CCCN2CCC3)CCC[N@@H+]1CCC1CC1 ZINC000993534383 647692492 /nfs/dbraw/zinc/69/24/92/647692492.db2.gz XUFFBQQTTNFUHP-DOTOQJQBSA-N 1 3 319.493 2.384 20 0 DEADHO C[C@H]1[C@H](NC(=O)C23CCCN2CCC3)CCC[N@H+]1CCC1CC1 ZINC000993534383 647692497 /nfs/dbraw/zinc/69/24/97/647692497.db2.gz XUFFBQQTTNFUHP-DOTOQJQBSA-N 1 3 319.493 2.384 20 0 DEADHO CO[C@@H]1CC[C@H](N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC000821362237 648043273 /nfs/dbraw/zinc/04/32/73/648043273.db2.gz FCGQNJHKSYQCFC-XLAORIBOSA-N 1 3 309.498 2.044 20 0 DEADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@@H](O)c1c(F)cccc1Cl ZINC000925461003 648128320 /nfs/dbraw/zinc/12/83/20/648128320.db2.gz NRMRJBJGZIWKGT-RBVVLIMLSA-N 1 3 312.816 2.442 20 0 DEADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@@H](O)c1c(F)cccc1Cl ZINC000925461003 648128322 /nfs/dbraw/zinc/12/83/22/648128322.db2.gz NRMRJBJGZIWKGT-RBVVLIMLSA-N 1 3 312.816 2.442 20 0 DEADHO C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824584979 648617798 /nfs/dbraw/zinc/61/77/98/648617798.db2.gz KTETXJURZOBBIB-ZDUSSCGKSA-N 1 3 314.437 2.249 20 0 DEADHO C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824584979 648617802 /nfs/dbraw/zinc/61/78/02/648617802.db2.gz KTETXJURZOBBIB-ZDUSSCGKSA-N 1 3 314.437 2.249 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000825340184 648744939 /nfs/dbraw/zinc/74/49/39/648744939.db2.gz BBGNLZPFSREHRV-DOTOQJQBSA-N 1 3 307.482 2.382 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000825340184 648744942 /nfs/dbraw/zinc/74/49/42/648744942.db2.gz BBGNLZPFSREHRV-DOTOQJQBSA-N 1 3 307.482 2.382 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C(C)C)CC1(C)C ZINC000940738111 648935781 /nfs/dbraw/zinc/93/57/81/648935781.db2.gz WKKQOZRQXKJBNJ-HOTGVXAUSA-N 1 3 309.498 2.484 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C(C)C)CC1(C)C ZINC000940738111 648935783 /nfs/dbraw/zinc/93/57/83/648935783.db2.gz WKKQOZRQXKJBNJ-HOTGVXAUSA-N 1 3 309.498 2.484 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCC)CC1(C)C ZINC000940785045 648941306 /nfs/dbraw/zinc/94/13/06/648941306.db2.gz GMCZIGQMKIYRHM-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCC)CC1(C)C ZINC000940785045 648941309 /nfs/dbraw/zinc/94/13/09/648941309.db2.gz GMCZIGQMKIYRHM-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)NC[C@H](C)[N@H+](C)C2CC2)cc(Cl)n1 ZINC000828506397 649188173 /nfs/dbraw/zinc/18/81/73/649188173.db2.gz CCZHQHBBHDSTST-FZMZJTMJSA-N 1 3 324.856 2.032 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc(Cl)n1 ZINC000828506397 649188176 /nfs/dbraw/zinc/18/81/76/649188176.db2.gz CCZHQHBBHDSTST-FZMZJTMJSA-N 1 3 324.856 2.032 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)N(C)C2CCC([NH3+])CC2)cc(Cl)n1 ZINC000832829381 649752149 /nfs/dbraw/zinc/75/21/49/649752149.db2.gz UEYAAUFURNQABL-RUXDESIVSA-N 1 3 324.856 2.162 20 0 DEADHO CCCCCCN(C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000834719184 649835600 /nfs/dbraw/zinc/83/56/00/649835600.db2.gz XUYIXVQSZIIRPH-ZWKOTPCHSA-N 1 3 317.477 2.452 20 0 DEADHO Cc1cc(NC(=O)CN(C)C2CCC([NH3+])CC2)n(C(C)(C)C)n1 ZINC000844220277 651095809 /nfs/dbraw/zinc/09/58/09/651095809.db2.gz CGBQBUNDOLXARC-UHFFFAOYSA-N 1 3 321.469 2.087 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]4C[C@H]43)CC2)CC1 ZINC000848062351 651436183 /nfs/dbraw/zinc/43/61/83/651436183.db2.gz APNZTODDKFSOHN-FUHWJXTLSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)OCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849018494 651583835 /nfs/dbraw/zinc/58/38/35/651583835.db2.gz AMYGPBCXEWJTFI-UHFFFAOYSA-N 1 3 318.465 2.190 20 0 DEADHO Cn1nccc1[C@H](O)C1CC[NH+](CC[C@H]2CCCCN2C)CC1 ZINC000856799963 651987945 /nfs/dbraw/zinc/98/79/45/651987945.db2.gz AHPAFHPZOBLYRN-SJLPKXTDSA-N 1 3 320.481 2.040 20 0 DEADHO C[C@H]([NH3+])CCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000857112862 652053807 /nfs/dbraw/zinc/05/38/07/652053807.db2.gz RVYPPBRYRYRPMW-HOTGVXAUSA-N 1 3 318.465 2.030 20 0 DEADHO C[N@H+](C[C@@H]1CCN(Cc2ccccc2)C1)C[C@H]1CCC(=O)O1 ZINC000851791638 652238838 /nfs/dbraw/zinc/23/88/38/652238838.db2.gz BSMILJMPMPZPLQ-DLBZAZTESA-N 1 3 302.418 2.146 20 0 DEADHO C[N@@H+](C[C@@H]1CCN(Cc2ccccc2)C1)C[C@H]1CCC(=O)O1 ZINC000851791638 652238841 /nfs/dbraw/zinc/23/88/41/652238841.db2.gz BSMILJMPMPZPLQ-DLBZAZTESA-N 1 3 302.418 2.146 20 0 DEADHO O=C1CC[C@@H](C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)O1 ZINC000852039232 652321649 /nfs/dbraw/zinc/32/16/49/652321649.db2.gz CYRIPWZIHRKZLN-PKOBYXMFSA-N 1 3 314.429 2.290 20 0 DEADHO O=C1CC[C@@H](C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)O1 ZINC000852039232 652321653 /nfs/dbraw/zinc/32/16/53/652321653.db2.gz CYRIPWZIHRKZLN-PKOBYXMFSA-N 1 3 314.429 2.290 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)C=C1CC[NH2+]CC1 ZINC000852884191 652474870 /nfs/dbraw/zinc/47/48/70/652474870.db2.gz VCYXRJYUOZLAII-UHFFFAOYSA-N 1 3 307.482 2.267 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[N@H+](C)[C@H](C)c1ccccc1)N(C)C ZINC001374533098 1157890458 /nfs/dbraw/zinc/89/04/58/1157890458.db2.gz BAXCBCYNTBCUPH-WBVHZDCISA-N 1 3 305.466 2.478 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)[C@H](C)c1ccccc1)N(C)C ZINC001374533098 1157890460 /nfs/dbraw/zinc/89/04/60/1157890460.db2.gz BAXCBCYNTBCUPH-WBVHZDCISA-N 1 3 305.466 2.478 20 0 DEADHO CN(C[C@@H]1CCN1CCc1cccs1)C(=O)CCC[NH+](C)C ZINC001375459134 1158709733 /nfs/dbraw/zinc/70/97/33/1158709733.db2.gz PGIMGGGOTXNBRK-HNNXBMFYSA-N 1 3 323.506 2.165 20 0 DEADHO [NH3+]CCCCCC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000155452657 684273440 /nfs/dbraw/zinc/27/34/40/684273440.db2.gz QSUXXIAJLOLRTL-KRWDZBQOSA-N 1 3 303.450 2.459 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccnc(Cl)c2)CC1 ZINC000155676430 684278083 /nfs/dbraw/zinc/27/80/83/684278083.db2.gz XTFFHJZAQYWBAE-KBPBESRZSA-N 1 3 310.873 2.412 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@]2(CC[N@H+](CC3CCC3)C2)C1)N(C)C ZINC001054154192 693865309 /nfs/dbraw/zinc/86/53/09/693865309.db2.gz RGBYYBXFWNBHJS-IEBWSBKVSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@]2(CC[N@@H+](CC3CCC3)C2)C1)N(C)C ZINC001054154192 693865310 /nfs/dbraw/zinc/86/53/10/693865310.db2.gz RGBYYBXFWNBHJS-IEBWSBKVSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@]2(CC[N@H+](CC3CC3)C2)C1)N(C)C ZINC001054192269 693875894 /nfs/dbraw/zinc/87/58/94/693875894.db2.gz SXFSGIYJVVLWEU-IEBWSBKVSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@]2(CC[N@@H+](CC3CC3)C2)C1)N(C)C ZINC001054192269 693875899 /nfs/dbraw/zinc/87/58/99/693875899.db2.gz SXFSGIYJVVLWEU-IEBWSBKVSA-N 1 3 321.509 2.297 20 0 DEADHO CCCN1Cc2ccc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)cc2C1 ZINC001054281612 693912496 /nfs/dbraw/zinc/91/24/96/693912496.db2.gz RUZVASDTSURMOC-KSSFIOAISA-N 1 3 315.461 2.226 20 0 DEADHO CCCN1Cc2ccc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)cc2C1 ZINC001054281612 693912500 /nfs/dbraw/zinc/91/25/00/693912500.db2.gz RUZVASDTSURMOC-KSSFIOAISA-N 1 3 315.461 2.226 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CC1CCCCC1 ZINC001054736760 694035356 /nfs/dbraw/zinc/03/53/56/694035356.db2.gz NPAWRBLWLCWVSO-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]Cc1ccccc1 ZINC001054734776 694035560 /nfs/dbraw/zinc/03/55/60/694035560.db2.gz GNFUJEBBGIDWGA-WBVHZDCISA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1C[C@H]1NC(=[NH2+])NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000864464468 686730325 /nfs/dbraw/zinc/73/03/25/686730325.db2.gz CZKVSZDHKGFKMV-SARFZWSYSA-N 1 3 318.387 2.314 20 0 DEADHO C[C@@H](C[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)CN(C)C ZINC000865577215 687265183 /nfs/dbraw/zinc/26/51/83/687265183.db2.gz FJOXWRBPVHUZTD-CBCUQQMYSA-N 1 3 311.470 2.173 20 0 DEADHO CC(C)=CCN1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001015971018 687485789 /nfs/dbraw/zinc/48/57/89/687485789.db2.gz WVBPIFJZQDGGQQ-SFHVURJKSA-N 1 3 319.493 2.265 20 0 DEADHO CC1(C)CCNCC[N@@H+]1CCCOc1ccc2c(c1)OCO2 ZINC000866699308 687657333 /nfs/dbraw/zinc/65/73/33/687657333.db2.gz KUUUDAHYQGBKRN-UHFFFAOYSA-N 1 3 306.406 2.258 20 0 DEADHO CC1(C)CCNCC[N@H+]1CCCOc1ccc2c(c1)OCO2 ZINC000866699308 687657337 /nfs/dbraw/zinc/65/73/37/687657337.db2.gz KUUUDAHYQGBKRN-UHFFFAOYSA-N 1 3 306.406 2.258 20 0 DEADHO CCCC[NH+]1CCC2(C[C@H]2NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001016827907 687712006 /nfs/dbraw/zinc/71/20/06/687712006.db2.gz AFKSZQLXEAQEDH-JKSUJKDBSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@H]1CC12CC[NH+](CC1CCC1)CC2 ZINC001016830729 687712841 /nfs/dbraw/zinc/71/28/41/687712841.db2.gz UQBZQGVFQCWYNA-RDJZCZTQSA-N 1 3 319.493 2.242 20 0 DEADHO CC[C@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001017563902 687913101 /nfs/dbraw/zinc/91/31/01/687913101.db2.gz NNDCLGFIXJXMAE-DMRKSPOLSA-N 1 3 307.482 2.048 20 0 DEADHO CC[C@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001017563902 687913104 /nfs/dbraw/zinc/91/31/04/687913104.db2.gz NNDCLGFIXJXMAE-DMRKSPOLSA-N 1 3 307.482 2.048 20 0 DEADHO CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001017616579 687924079 /nfs/dbraw/zinc/92/40/79/687924079.db2.gz CRYFVXZPWUJYOR-ZACQAIPSSA-N 1 3 307.482 2.335 20 0 DEADHO CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001017616579 687924082 /nfs/dbraw/zinc/92/40/82/687924082.db2.gz CRYFVXZPWUJYOR-ZACQAIPSSA-N 1 3 307.482 2.335 20 0 DEADHO CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001017633428 687929273 /nfs/dbraw/zinc/92/92/73/687929273.db2.gz YGZKRQGNLWDHMO-ZACQAIPSSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001017633428 687929277 /nfs/dbraw/zinc/92/92/77/687929277.db2.gz YGZKRQGNLWDHMO-ZACQAIPSSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001018180469 688073090 /nfs/dbraw/zinc/07/30/90/688073090.db2.gz WCNIOUWTCJXNOW-YESZJQIVSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001018180469 688073094 /nfs/dbraw/zinc/07/30/94/688073094.db2.gz WCNIOUWTCJXNOW-YESZJQIVSA-N 1 3 307.482 2.050 20 0 DEADHO CCc1ccccc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001018628617 688189026 /nfs/dbraw/zinc/18/90/26/688189026.db2.gz NRCDPLPRKAVJHE-ROUUACIJSA-N 1 3 315.461 2.034 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCC2CCCC2)C1)N(C)C ZINC001018999069 688267643 /nfs/dbraw/zinc/26/76/43/688267643.db2.gz FPZZQALHZXWBGI-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C1)N(C)C ZINC001019032243 688273886 /nfs/dbraw/zinc/27/38/86/688273886.db2.gz NAJTXMVHESASSO-DLBZAZTESA-N 1 3 307.482 2.408 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001019337538 688332141 /nfs/dbraw/zinc/33/21/41/688332141.db2.gz OLJJSYFFNOUCSY-ZWKOTPCHSA-N 1 3 317.477 2.272 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001019380899 688343268 /nfs/dbraw/zinc/34/32/68/688343268.db2.gz QHNMRLJZEOBLPF-YOEHRIQHSA-N 1 3 319.424 2.001 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001019381681 688343515 /nfs/dbraw/zinc/34/35/15/688343515.db2.gz PDZZBKYAVKYYRV-WBVHZDCISA-N 1 3 319.493 2.242 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC001019435293 688355498 /nfs/dbraw/zinc/35/54/98/688355498.db2.gz AFPCFEWRKRNVSY-YJBOKZPZSA-N 1 3 324.428 2.220 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CC3CCCCC3)C2)CC1 ZINC001019560574 688375044 /nfs/dbraw/zinc/37/50/44/688375044.db2.gz NIPDVQYHPQODLI-SFHVURJKSA-N 1 3 321.509 2.489 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H](C[N@H+](C)CC3CCC3)C2)CCC1 ZINC001029754386 688573564 /nfs/dbraw/zinc/57/35/64/688573564.db2.gz XJJHVKCKXKGTEC-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H](C[N@@H+](C)CC3CCC3)C2)CCC1 ZINC001029754386 688573567 /nfs/dbraw/zinc/57/35/67/688573567.db2.gz XJJHVKCKXKGTEC-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CCN1CCC([N@@H+]2CCCN(C/C=C(\C)COC)CC2)CC1 ZINC000930749909 694232368 /nfs/dbraw/zinc/23/23/68/694232368.db2.gz JQGNYVPMVBNRES-UBKPWBPPSA-N 1 3 309.498 2.071 20 0 DEADHO CCN1CCC([N@H+]2CCCN(C/C=C(\C)COC)CC2)CC1 ZINC000930749909 694232372 /nfs/dbraw/zinc/23/23/72/694232372.db2.gz JQGNYVPMVBNRES-UBKPWBPPSA-N 1 3 309.498 2.071 20 0 DEADHO C([C@@H]1CC2(CO1)CCOCC2)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000872143409 688935101 /nfs/dbraw/zinc/93/51/01/688935101.db2.gz RTHJBXAVZRVLEW-IXDOHACOSA-N 1 3 308.466 2.036 20 0 DEADHO CC(C)C[NH+]1CC(CNC(=O)c2ccccc2CN(C)C)C1 ZINC001032205450 689083096 /nfs/dbraw/zinc/08/30/96/689083096.db2.gz YMQGEYJWVCUYFF-UHFFFAOYSA-N 1 3 303.450 2.066 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCC1 ZINC001032399706 689140510 /nfs/dbraw/zinc/14/05/10/689140510.db2.gz DLEOXZSIYLODHC-BZSNNMDCSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCC1 ZINC001032399706 689140514 /nfs/dbraw/zinc/14/05/14/689140514.db2.gz DLEOXZSIYLODHC-BZSNNMDCSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCCC1 ZINC001032399706 689140515 /nfs/dbraw/zinc/14/05/15/689140515.db2.gz DLEOXZSIYLODHC-BZSNNMDCSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCCC1 ZINC001032399706 689140518 /nfs/dbraw/zinc/14/05/18/689140518.db2.gz DLEOXZSIYLODHC-BZSNNMDCSA-N 1 3 319.493 2.335 20 0 DEADHO COc1ccc2c(c1)OC[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)C2 ZINC000873245095 689192725 /nfs/dbraw/zinc/19/27/25/689192725.db2.gz PHOSJKMHWSQHIX-HUUCEWRRSA-N 1 3 304.434 2.367 20 0 DEADHO C[C@@H]([NH2+][C@H](c1nnc[n-]1)c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000873270591 689198751 /nfs/dbraw/zinc/19/87/51/689198751.db2.gz XXTYEUJKVORLRA-ABAIWWIYSA-N 1 3 303.385 2.011 20 0 DEADHO C[C@H]([NH2+][C@H](c1nnc[n-]1)c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000873272985 689199252 /nfs/dbraw/zinc/19/92/52/689199252.db2.gz XXTYEUJKVORLRA-NHYWBVRUSA-N 1 3 303.385 2.011 20 0 DEADHO Cc1ccc([C@H](CNC(=O)CC[NH2+]C(C)(C)C)N(C)C)cc1 ZINC000930909918 694269893 /nfs/dbraw/zinc/26/98/93/694269893.db2.gz HNDLKZHWKDWXKR-INIZCTEOSA-N 1 3 305.466 2.492 20 0 DEADHO CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C[NH+](C)C ZINC001032800727 689265176 /nfs/dbraw/zinc/26/51/76/689265176.db2.gz WOUXUBMNCWCTQP-IRXDYDNUSA-N 1 3 315.461 2.447 20 0 DEADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001032803889 689265910 /nfs/dbraw/zinc/26/59/10/689265910.db2.gz PKTXEQGFFQZORZ-OKZBNKHCSA-N 1 3 321.509 2.438 20 0 DEADHO CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CCN(CC=C(C)C)C1 ZINC001033830988 689630097 /nfs/dbraw/zinc/63/00/97/689630097.db2.gz RHWXJTDBSHFURA-MSOLQXFVSA-N 1 3 319.493 2.217 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCCF)C1 ZINC001034238265 689776617 /nfs/dbraw/zinc/77/66/17/689776617.db2.gz BRVDPQKMRFZLPC-CVEARBPZSA-N 1 3 313.461 2.191 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCCF)C1 ZINC001034238265 689776620 /nfs/dbraw/zinc/77/66/20/689776620.db2.gz BRVDPQKMRFZLPC-CVEARBPZSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001034331650 689812230 /nfs/dbraw/zinc/81/22/30/689812230.db2.gz UUWZWQLILMFEQZ-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001034331650 689812232 /nfs/dbraw/zinc/81/22/32/689812232.db2.gz UUWZWQLILMFEQZ-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H]([NH2+]CCC2CC2)CC1 ZINC001034787175 689947650 /nfs/dbraw/zinc/94/76/50/689947650.db2.gz YNDIYIWCJNOWDS-SHTZXODSSA-N 1 3 304.438 2.078 20 0 DEADHO CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCCN2CC)cc1 ZINC001034832237 689956332 /nfs/dbraw/zinc/95/63/32/689956332.db2.gz NHVXOCMUVBWVCL-QGZVFWFLSA-N 1 3 303.450 2.287 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001034881673 689977187 /nfs/dbraw/zinc/97/71/87/689977187.db2.gz MFHRIKKEGUYKRS-IAGOWNOFSA-N 1 3 319.424 2.001 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC2(CC[N@H+](CC3CCC3)C2)CC1 ZINC001035166292 690045612 /nfs/dbraw/zinc/04/56/12/690045612.db2.gz LLQBLZWHCKFHMQ-QGZVFWFLSA-N 1 3 319.493 2.195 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](CC3CCC3)C2)CC1 ZINC001035166292 690045615 /nfs/dbraw/zinc/04/56/15/690045615.db2.gz LLQBLZWHCKFHMQ-QGZVFWFLSA-N 1 3 319.493 2.195 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)c3cccc(C[NH3+])c3)C2)cc1 ZINC000877220881 690048946 /nfs/dbraw/zinc/04/89/46/690048946.db2.gz LLNMWXOELMPMHV-LJQANCHMSA-N 1 3 323.440 2.458 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC2(CC[N@H+](CC3CC3)C2)CC1)N(C)C ZINC001035196472 690056548 /nfs/dbraw/zinc/05/65/48/690056548.db2.gz KZILNGJJQPSIQZ-KRWDZBQOSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC2(CC[N@@H+](CC3CC3)C2)CC1)N(C)C ZINC001035196472 690056551 /nfs/dbraw/zinc/05/65/51/690056551.db2.gz KZILNGJJQPSIQZ-KRWDZBQOSA-N 1 3 321.509 2.297 20 0 DEADHO CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2 ZINC001035226346 690065557 /nfs/dbraw/zinc/06/55/57/690065557.db2.gz KUAYDTQJUAQROK-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2 ZINC001035226346 690065558 /nfs/dbraw/zinc/06/55/58/690065558.db2.gz KUAYDTQJUAQROK-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)=CC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001035254628 690075203 /nfs/dbraw/zinc/07/52/03/690075203.db2.gz OCGYNLFBYNNUQO-UHFFFAOYSA-N 1 3 319.493 2.363 20 0 DEADHO CC(C)=CC[N@H+]1CCC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001035254628 690075207 /nfs/dbraw/zinc/07/52/07/690075207.db2.gz OCGYNLFBYNNUQO-UHFFFAOYSA-N 1 3 319.493 2.363 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000877342440 690081227 /nfs/dbraw/zinc/08/12/27/690081227.db2.gz CGCVVUWXCYCHKY-IBGZPJMESA-N 1 3 323.440 2.193 20 0 DEADHO [NH3+][C@@H](CC1CCCCC1)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000877341553 690081543 /nfs/dbraw/zinc/08/15/43/690081543.db2.gz UNAWCRYXPXUWDM-MSOLQXFVSA-N 1 3 315.461 2.115 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1Cc2ccccc2CN1)[NH+]1CCCCCC1 ZINC000877342824 690082828 /nfs/dbraw/zinc/08/28/28/690082828.db2.gz FVLLCCGZPANGEJ-MAUKXSAKSA-N 1 3 315.461 2.082 20 0 DEADHO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000877346003 690083136 /nfs/dbraw/zinc/08/31/36/690083136.db2.gz FOXXPAONAIWASL-OKZBNKHCSA-N 1 3 315.461 2.115 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)CCC3(C)CC3)CC2)CC1 ZINC000931217712 694342805 /nfs/dbraw/zinc/34/28/05/694342805.db2.gz WSGWCCHBURWRJB-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](CC)N(C)C)CC2 ZINC001035731812 690163222 /nfs/dbraw/zinc/16/32/22/690163222.db2.gz NCXNWJJLCGGKLP-HZPDHXFCSA-N 1 3 309.498 2.297 20 0 DEADHO COCCN(Cc1ccnc(F)c1C)CC1CC[NH+](C)CC1 ZINC000877664306 690182788 /nfs/dbraw/zinc/18/27/88/690182788.db2.gz MLEOZRYNOQLOPA-UHFFFAOYSA-N 1 3 309.429 2.319 20 0 DEADHO C[NH+]1CCC2(CCN(Cc3cnn(CC(F)F)c3)CC2)CC1 ZINC000877683910 690189627 /nfs/dbraw/zinc/18/96/27/690189627.db2.gz ASZPWZXQKLTUMP-UHFFFAOYSA-N 1 3 312.408 2.456 20 0 DEADHO Cc1ccc(F)cc1C[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000877746073 690212917 /nfs/dbraw/zinc/21/29/17/690212917.db2.gz GVHIDGPDNCLIGX-UHFFFAOYSA-N 1 3 305.441 2.346 20 0 DEADHO CN1CCN(C2CC[NH+](Cc3cc4cnccc4o3)CC2)CC1 ZINC000877746757 690214068 /nfs/dbraw/zinc/21/40/68/690214068.db2.gz JTAPKIJGEHJJAK-UHFFFAOYSA-N 1 3 314.433 2.040 20 0 DEADHO COc1cc(C[NH+]2CCC(N3CCN(C)CC3)CC2)ccc1C ZINC000877746392 690214207 /nfs/dbraw/zinc/21/42/07/690214207.db2.gz NRSKDIYKHVUDSY-UHFFFAOYSA-N 1 3 317.477 2.215 20 0 DEADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CC1CCCC1 ZINC001036052568 690247595 /nfs/dbraw/zinc/24/75/95/690247595.db2.gz AZMJDQOEMBDPOD-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO CCC[NH+]1CCC(N(C)C[C@@H](O)CC2(CO)CCCC2)CC1 ZINC000878165442 690332448 /nfs/dbraw/zinc/33/24/48/690332448.db2.gz ZOFJPYDHOZSRFD-KRWDZBQOSA-N 1 3 312.498 2.096 20 0 DEADHO CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001036403104 690342129 /nfs/dbraw/zinc/34/21/29/690342129.db2.gz ZUOBXLDTXLQCLX-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C[C@H]3CCC4(CCOCC4)O3)CC[C@@H]21 ZINC000878196500 690343623 /nfs/dbraw/zinc/34/36/23/690343623.db2.gz CYLSJWBRGDPVJW-ZACQAIPSSA-N 1 3 308.466 2.131 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C[C@H]3CCC4(CCOCC4)O3)CC[C@@H]21 ZINC000878196500 690343626 /nfs/dbraw/zinc/34/36/26/690343626.db2.gz CYLSJWBRGDPVJW-ZACQAIPSSA-N 1 3 308.466 2.131 20 0 DEADHO C[C@H]([NH2+]CC1CCC1)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001036415981 690345058 /nfs/dbraw/zinc/34/50/58/690345058.db2.gz TYADUYMRISMUKS-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1C[C@H](C(C)(C)C)CCN1CC(=O)NC1CC[NH+](C)CC1 ZINC000878620847 690457477 /nfs/dbraw/zinc/45/74/77/690457477.db2.gz XTHDNKQLSAHUGB-HUUCEWRRSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@](C)(NCC(=O)NC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000879128177 690573591 /nfs/dbraw/zinc/57/35/91/690573591.db2.gz GNOUEUDYTALUET-SFHVURJKSA-N 1 3 321.440 2.251 20 0 DEADHO CCC[C@@H](C)NC(=O)[C@@H](C)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248451 690602773 /nfs/dbraw/zinc/60/27/73/690602773.db2.gz OYPZSAZDFYITPY-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CC(C)C ZINC001037851220 690623440 /nfs/dbraw/zinc/62/34/40/690623440.db2.gz JMOQTUQTWNIBLO-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CC1CCC1 ZINC001037853649 690624203 /nfs/dbraw/zinc/62/42/03/690624203.db2.gz OBAGWNTVSJARDO-IRXDYDNUSA-N 1 3 321.509 2.488 20 0 DEADHO CC[NH+](CC)CCCN1CCN[C@H](c2ccc(OC)cc2)C1 ZINC000879524411 690661982 /nfs/dbraw/zinc/66/19/82/690661982.db2.gz WNFDBBOZVJUUIQ-SFHVURJKSA-N 1 3 305.466 2.373 20 0 DEADHO COc1cccc([C@@H]2CN(CCCn3ccnc3C)CC[NH2+]2)c1 ZINC000879524831 690662671 /nfs/dbraw/zinc/66/26/71/690662671.db2.gz QCLKJEAKZGNRCG-SFHVURJKSA-N 1 3 314.433 2.237 20 0 DEADHO CCc1ccccc1CN1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001038096010 690701349 /nfs/dbraw/zinc/70/13/49/690701349.db2.gz OYPNUDQWPKGLAH-ZWKOTPCHSA-N 1 3 315.461 2.034 20 0 DEADHO CCc1ccccc1CN1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001038096010 690701350 /nfs/dbraw/zinc/70/13/50/690701350.db2.gz OYPNUDQWPKGLAH-ZWKOTPCHSA-N 1 3 315.461 2.034 20 0 DEADHO O=C(NC[C@@H]1CCN1CCC1CCCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001038259440 690760712 /nfs/dbraw/zinc/76/07/12/690760712.db2.gz AJPQGSMMLQNENJ-ZWKOTPCHSA-N 1 3 319.493 2.099 20 0 DEADHO CC[C@H](C)CN1CC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001038393664 690803924 /nfs/dbraw/zinc/80/39/24/690803924.db2.gz JAPYFFJFLPVCFS-HOTGVXAUSA-N 1 3 307.482 2.099 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CCN2CCC2CC2)C1 ZINC001038620691 690878271 /nfs/dbraw/zinc/87/82/71/690878271.db2.gz CHPSQNJDQWZSOI-IRXDYDNUSA-N 1 3 307.482 2.099 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CCN2CCC2CC2)C1 ZINC001038620691 690878275 /nfs/dbraw/zinc/87/82/75/690878275.db2.gz CHPSQNJDQWZSOI-IRXDYDNUSA-N 1 3 307.482 2.099 20 0 DEADHO CC1(N2CCC2)CC[NH+](C[C@@H]2CC3(CO2)CCOCC3)CC1 ZINC000880475642 690907057 /nfs/dbraw/zinc/90/70/57/690907057.db2.gz GGJQULIMUFLHBL-INIZCTEOSA-N 1 3 308.466 2.132 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCC1 ZINC001038783435 690925311 /nfs/dbraw/zinc/92/53/11/690925311.db2.gz XPBYBFFCLCWTIR-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CCC1 ZINC001038783435 690925313 /nfs/dbraw/zinc/92/53/13/690925313.db2.gz XPBYBFFCLCWTIR-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N(C)C[C@@H](O)C[N@H+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC000880554100 690925809 /nfs/dbraw/zinc/92/58/09/690925809.db2.gz SAQHMTPVOBEKHR-ZWKOTPCHSA-N 1 3 317.477 2.172 20 0 DEADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC000880554100 690925810 /nfs/dbraw/zinc/92/58/10/690925810.db2.gz SAQHMTPVOBEKHR-ZWKOTPCHSA-N 1 3 317.477 2.172 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+]2CC2CCC2)c1 ZINC001039039810 691000581 /nfs/dbraw/zinc/00/05/81/691000581.db2.gz LKXQNDLKFBNJAD-SFHVURJKSA-N 1 3 315.461 2.352 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CC[N@H+]2CC2CCC2)c1 ZINC001039039810 691000584 /nfs/dbraw/zinc/00/05/84/691000584.db2.gz LKXQNDLKFBNJAD-SFHVURJKSA-N 1 3 315.461 2.352 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[N@@H+]2CCC2CC2)c1 ZINC001039040611 691001043 /nfs/dbraw/zinc/00/10/43/691001043.db2.gz SUDKCWRFXFNFCI-GOSISDBHSA-N 1 3 315.461 2.352 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[N@H+]2CCC2CC2)c1 ZINC001039040611 691001045 /nfs/dbraw/zinc/00/10/45/691001045.db2.gz SUDKCWRFXFNFCI-GOSISDBHSA-N 1 3 315.461 2.352 20 0 DEADHO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)CN(C)C1CCC1 ZINC000881444146 691099236 /nfs/dbraw/zinc/09/92/36/691099236.db2.gz FLJCKLOBHCQCGG-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[C@H](C)C1 ZINC001039437168 691105728 /nfs/dbraw/zinc/10/57/28/691105728.db2.gz DOCVHOCKZRETKS-KSZLIROESA-N 1 3 319.493 2.360 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[C@H](C)C1 ZINC001039437168 691105731 /nfs/dbraw/zinc/10/57/31/691105731.db2.gz DOCVHOCKZRETKS-KSZLIROESA-N 1 3 319.493 2.360 20 0 DEADHO CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[C@@H](C)C1 ZINC001039437647 691105840 /nfs/dbraw/zinc/10/58/40/691105840.db2.gz SCSOSHRJEMHIFA-ZACQAIPSSA-N 1 3 307.482 2.194 20 0 DEADHO CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[C@@H](C)C1 ZINC001039437647 691105842 /nfs/dbraw/zinc/10/58/42/691105842.db2.gz SCSOSHRJEMHIFA-ZACQAIPSSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+](CC1CC1)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001039486467 691117981 /nfs/dbraw/zinc/11/79/81/691117981.db2.gz LLWYIOHZSRLKQM-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@@H+](CC1CC1)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001039486467 691117983 /nfs/dbraw/zinc/11/79/83/691117983.db2.gz LLWYIOHZSRLKQM-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCCF)C2)N(C)C ZINC001040262367 691221965 /nfs/dbraw/zinc/22/19/65/691221965.db2.gz SOUBUAKAPUBTHQ-WBVHZDCISA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCCF)C2)N(C)C ZINC001040262367 691221967 /nfs/dbraw/zinc/22/19/67/691221967.db2.gz SOUBUAKAPUBTHQ-WBVHZDCISA-N 1 3 313.461 2.001 20 0 DEADHO CCCC[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC1 ZINC001040729198 691282820 /nfs/dbraw/zinc/28/28/20/691282820.db2.gz FDASASCLCFNPNU-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC[NH+]1CCC2(CCN(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001040847758 691292762 /nfs/dbraw/zinc/29/27/62/691292762.db2.gz YLEBHBPDQGPOPB-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO CC(C)[NH+]1CCC2(CCN(C(=O)CN3CCC(C)CC3)C2)CC1 ZINC001040895518 691296608 /nfs/dbraw/zinc/29/66/08/691296608.db2.gz XAISPNCRTKLDLG-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CC3CCC3)C2)C1)C1CC1 ZINC001041357718 691366637 /nfs/dbraw/zinc/36/66/37/691366637.db2.gz IMHCDEAKKNVPHG-MJGOQNOKSA-N 1 3 319.493 2.051 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CC3CCC3)C2)C1)C1CC1 ZINC001041357718 691366638 /nfs/dbraw/zinc/36/66/38/691366638.db2.gz IMHCDEAKKNVPHG-MJGOQNOKSA-N 1 3 319.493 2.051 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001041358165 691367118 /nfs/dbraw/zinc/36/71/18/691367118.db2.gz LPZQOHYGWOOIHB-PKOBYXMFSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001041358165 691367121 /nfs/dbraw/zinc/36/71/21/691367121.db2.gz LPZQOHYGWOOIHB-PKOBYXMFSA-N 1 3 321.509 2.297 20 0 DEADHO CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001041724058 691417102 /nfs/dbraw/zinc/41/71/02/691417102.db2.gz NIAHZWFRAGQPAB-FUHWJXTLSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001041724058 691417103 /nfs/dbraw/zinc/41/71/03/691417103.db2.gz NIAHZWFRAGQPAB-FUHWJXTLSA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001041845882 691444575 /nfs/dbraw/zinc/44/45/75/691444575.db2.gz QFOWTRPLJPUGCM-HKUYNNGSSA-N 1 3 319.493 2.195 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001041845882 691444576 /nfs/dbraw/zinc/44/45/76/691444576.db2.gz QFOWTRPLJPUGCM-HKUYNNGSSA-N 1 3 319.493 2.195 20 0 DEADHO O=c1oc2ccc(CN[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc2o1 ZINC000883161939 691444982 /nfs/dbraw/zinc/44/49/82/691444982.db2.gz FZGTYBMCVPXVMS-ZIAGYGMSSA-N 1 3 302.374 2.493 20 0 DEADHO O=c1oc2ccc(CN[C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2o1 ZINC000883161939 691444983 /nfs/dbraw/zinc/44/49/83/691444983.db2.gz FZGTYBMCVPXVMS-ZIAGYGMSSA-N 1 3 302.374 2.493 20 0 DEADHO C([C@@H]1CCC2(CCOCC2)CO1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000883430097 691507597 /nfs/dbraw/zinc/50/75/97/691507597.db2.gz NBNXYQPQALABQY-SQNIBIBYSA-N 1 3 322.493 2.426 20 0 DEADHO C[NH2+][C@@H](CC(C)C)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000884227946 691687203 /nfs/dbraw/zinc/68/72/03/691687203.db2.gz CHABVAWRMHYJBI-SZMVWBNQSA-N 1 3 317.477 2.400 20 0 DEADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H](N)CC1CC1 ZINC000884309766 691706111 /nfs/dbraw/zinc/70/61/11/691706111.db2.gz FKPJWNWWLPSINS-QGZVFWFLSA-N 1 3 303.450 2.224 20 0 DEADHO CN(C)C[C@@H](NC(=O)[C@@H]([NH3+])CC1CC1)c1ccc(Cl)cc1 ZINC000884313169 691707579 /nfs/dbraw/zinc/70/75/79/691707579.db2.gz XXJSWOZNOYVNDM-LSDHHAIUSA-N 1 3 309.841 2.186 20 0 DEADHO CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CN(CC2CCCCC2)C1 ZINC001044186951 691785380 /nfs/dbraw/zinc/78/53/80/691785380.db2.gz VGZMDTILLQLNBA-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(CC2CCCCC2)C1 ZINC001044186951 691785384 /nfs/dbraw/zinc/78/53/84/691785384.db2.gz VGZMDTILLQLNBA-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001044958484 691919766 /nfs/dbraw/zinc/91/97/66/691919766.db2.gz NTGYAVXTDNFNKY-ROUUACIJSA-N 1 3 315.461 2.170 20 0 DEADHO Cc1cccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2CCCN2C)c1 ZINC001044958892 691919899 /nfs/dbraw/zinc/91/98/99/691919899.db2.gz WHJMOXNTEOSDDW-ZWKOTPCHSA-N 1 3 315.461 2.170 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C)cc1 ZINC001044959860 691920627 /nfs/dbraw/zinc/92/06/27/691920627.db2.gz PEAZAVXUBDLHPT-ROUUACIJSA-N 1 3 315.461 2.170 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001045205774 691951741 /nfs/dbraw/zinc/95/17/41/691951741.db2.gz XLPUFVNEJHCJNT-IRXDYDNUSA-N 1 3 321.440 2.247 20 0 DEADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCOC3(CCOCC3)C2)C1 ZINC000885968951 691973742 /nfs/dbraw/zinc/97/37/42/691973742.db2.gz FVDYMNCXZCQMCW-SJORKVTESA-N 1 3 310.482 2.425 20 0 DEADHO OC[C@H](C[C@@H]1CCCO1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000886224028 692029075 /nfs/dbraw/zinc/02/90/75/692029075.db2.gz UQRQBQAXDMBJIE-WMZOPIPTSA-N 1 3 310.482 2.303 20 0 DEADHO OC[C@H](C[C@@H]1CCCO1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000886224028 692029078 /nfs/dbraw/zinc/02/90/78/692029078.db2.gz UQRQBQAXDMBJIE-WMZOPIPTSA-N 1 3 310.482 2.303 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001045969805 692065225 /nfs/dbraw/zinc/06/52/25/692065225.db2.gz ZMKYUOKAFZOSMB-SFHVURJKSA-N 1 3 316.449 2.067 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001045969805 692065229 /nfs/dbraw/zinc/06/52/29/692065229.db2.gz ZMKYUOKAFZOSMB-SFHVURJKSA-N 1 3 316.449 2.067 20 0 DEADHO OC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CC1 ZINC000886548067 692107041 /nfs/dbraw/zinc/10/70/41/692107041.db2.gz WREAONRVEURDSY-WZGPROSRSA-N 1 3 300.446 2.400 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@H+](CC2CCC2)C1 ZINC001046316012 692150209 /nfs/dbraw/zinc/15/02/09/692150209.db2.gz MDCCURWLEKWEFH-AEFFLSMTSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@@H+](CC2CCC2)C1 ZINC001046316012 692150211 /nfs/dbraw/zinc/15/02/11/692150211.db2.gz MDCCURWLEKWEFH-AEFFLSMTSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1OC[C@]2(CC[C@H](CNC3CC[NH+](CC4CC4)CC3)O2)[C@H]1C ZINC000886771208 692188580 /nfs/dbraw/zinc/18/85/80/692188580.db2.gz DRXDDRKYVSYIPD-ILRDRHFLSA-N 1 3 322.493 2.423 20 0 DEADHO FC(F)(F)SCCN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000886841412 692207615 /nfs/dbraw/zinc/20/76/15/692207615.db2.gz KRNRZRJNFFTCMA-GFCCVEGCSA-N 1 3 312.401 2.330 20 0 DEADHO Cc1cc(CN2CC[C@@](C)(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cs1 ZINC001046831973 692310735 /nfs/dbraw/zinc/31/07/35/692310735.db2.gz TZEZZEJXVXOOME-DOTOQJQBSA-N 1 3 321.490 2.089 20 0 DEADHO Cc1cc(CN2CC[C@@](C)(NC(=O)[C@H]3CC[N@H+](C)C3)C2)cs1 ZINC001046831973 692310738 /nfs/dbraw/zinc/31/07/38/692310738.db2.gz TZEZZEJXVXOOME-DOTOQJQBSA-N 1 3 321.490 2.089 20 0 DEADHO C[C@@H]([NH2+]CC1CCC1)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001047975909 692526131 /nfs/dbraw/zinc/52/61/31/692526131.db2.gz PGFDYYFXUKAZGO-WBVHZDCISA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CC(C)C3)C[C@@H]2C1)N(C)C ZINC001048875789 692715083 /nfs/dbraw/zinc/71/50/83/692715083.db2.gz NSIXLKLNHFFJFU-YOHUBWIESA-N 1 3 321.509 2.009 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC3CC(C)C3)C[C@@H]2C1)N(C)C ZINC001048875789 692715084 /nfs/dbraw/zinc/71/50/84/692715084.db2.gz NSIXLKLNHFFJFU-YOHUBWIESA-N 1 3 321.509 2.009 20 0 DEADHO CC(C)CC[N@H+]1C[C@H]2CN(C(=O)CN3[C@H](C)CC[C@H]3C)C[C@H]2C1 ZINC001049231853 692795817 /nfs/dbraw/zinc/79/58/17/692795817.db2.gz MXLOZENHHZIUBF-TVFCKZIOSA-N 1 3 321.509 2.296 20 0 DEADHO CC(C)CC[N@@H+]1C[C@H]2CN(C(=O)CN3[C@H](C)CC[C@H]3C)C[C@H]2C1 ZINC001049231853 692795818 /nfs/dbraw/zinc/79/58/18/692795818.db2.gz MXLOZENHHZIUBF-TVFCKZIOSA-N 1 3 321.509 2.296 20 0 DEADHO CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001049531957 692914271 /nfs/dbraw/zinc/91/42/71/692914271.db2.gz FOSDHTHXDHNDLX-ULQDDVLXSA-N 1 3 309.498 2.438 20 0 DEADHO CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001049531957 692914272 /nfs/dbraw/zinc/91/42/72/692914272.db2.gz FOSDHTHXDHNDLX-ULQDDVLXSA-N 1 3 309.498 2.438 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H]2CCc3c2nccc3Cl)CC1 ZINC000924664116 693167565 /nfs/dbraw/zinc/16/75/65/693167565.db2.gz ZQHGDTMAQUUQKZ-INIZCTEOSA-N 1 3 322.884 2.340 20 0 DEADHO C[C@H](C[NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1)CN1CCCC1 ZINC000924714098 693175730 /nfs/dbraw/zinc/17/57/30/693175730.db2.gz HVYFAKQDAFARLU-NXHRZFHOSA-N 1 3 304.482 2.453 20 0 DEADHO Cc1cccc2c1[C@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)CC2 ZINC000924965403 693208043 /nfs/dbraw/zinc/20/80/43/693208043.db2.gz OATFYTPUJKJTEC-DLBZAZTESA-N 1 3 315.461 2.159 20 0 DEADHO Cc1cccc2c1[C@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)CC2 ZINC000924965403 693208046 /nfs/dbraw/zinc/20/80/46/693208046.db2.gz OATFYTPUJKJTEC-DLBZAZTESA-N 1 3 315.461 2.159 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CC[NH+](CC1CCC1)CC2 ZINC001050661669 693226995 /nfs/dbraw/zinc/22/69/95/693226995.db2.gz AHMVPWOYRPDBMD-INIZCTEOSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@H]1[C@@H](NC(=O)N2CCC(C)([NH+]3CCCCC3)CC2)CCN1C ZINC000925353959 693261460 /nfs/dbraw/zinc/26/14/60/693261460.db2.gz ITSDPCKIQKYNDJ-HOTGVXAUSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)[C@H](CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)N1CCOCC1 ZINC000925519498 693287699 /nfs/dbraw/zinc/28/76/99/693287699.db2.gz RZFOHOJNXSIMQO-OTWHNJEPSA-N 1 3 323.525 2.101 20 0 DEADHO CC(C)[C@H](C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1)N1CCOCC1 ZINC000925519498 693287700 /nfs/dbraw/zinc/28/77/00/693287700.db2.gz RZFOHOJNXSIMQO-OTWHNJEPSA-N 1 3 323.525 2.101 20 0 DEADHO COc1ccc(OC)c([C@H](O)CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925537648 693292208 /nfs/dbraw/zinc/29/22/08/693292208.db2.gz LDFMLDLZJOBHGF-WOSRLPQWSA-N 1 3 322.449 2.233 20 0 DEADHO COC(=O)Nc1ccc(CCN[C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925579833 693301838 /nfs/dbraw/zinc/30/18/38/693301838.db2.gz HABBLSHOCRZADG-CABCVRRESA-N 1 3 303.406 2.267 20 0 DEADHO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H]2CCNC23CCC3)C1 ZINC000925646506 693316000 /nfs/dbraw/zinc/31/60/00/693316000.db2.gz VPHALQWGBCBRLY-SOUVJXGZSA-N 1 3 309.454 2.118 20 0 DEADHO c1ccc([C@H]2C[C@H](NCCOC3CCOCC3)CC[NH2+]2)cc1 ZINC000925878175 693359236 /nfs/dbraw/zinc/35/92/36/693359236.db2.gz QOZDHJZPYPHVHO-SJLPKXTDSA-N 1 3 304.434 2.265 20 0 DEADHO C(N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCC2(CCOCC2)CO1 ZINC000925737191 693332638 /nfs/dbraw/zinc/33/26/38/693332638.db2.gz PUNBUYALKVNAFN-VSZNYVQBSA-N 1 3 322.493 2.473 20 0 DEADHO COc1ccc(F)cc1CCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000925776345 693340041 /nfs/dbraw/zinc/34/00/41/693340041.db2.gz XAMXBGGMVPRQCA-YESZJQIVSA-N 1 3 322.424 2.124 20 0 DEADHO C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1cc([O-])cc(F)c1 ZINC000926687089 693492307 /nfs/dbraw/zinc/49/23/07/693492307.db2.gz UKJACRCOHZUHCT-KBPBESRZSA-N 1 3 311.445 2.454 20 0 DEADHO CCN1CCC[C@H](N[C@H](C)c2cccc(C[NH+](C)C)c2)C1=O ZINC000926898840 693526722 /nfs/dbraw/zinc/52/67/22/693526722.db2.gz HDBQLCLDAYUJKU-PBHICJAKSA-N 1 3 303.450 2.410 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CC2)CC1 ZINC001052428386 693531933 /nfs/dbraw/zinc/53/19/33/693531933.db2.gz HOLRSQCGUQBRDL-IAGOWNOFSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CC2)CC1 ZINC001052428386 693531936 /nfs/dbraw/zinc/53/19/36/693531936.db2.gz HOLRSQCGUQBRDL-IAGOWNOFSA-N 1 3 307.482 2.242 20 0 DEADHO CCN(C(=O)NC1CCC(C)([NH+]2CCC2)CC1)[C@@H]1CCN(C)C1 ZINC000927299315 693583374 /nfs/dbraw/zinc/58/33/74/693583374.db2.gz PMGIIAQKBUDQHX-UPTPFMHGSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCC[N@H+](CC3CCCC3)CC2)C1 ZINC001052703220 693599451 /nfs/dbraw/zinc/59/94/51/693599451.db2.gz RLBNUQZQQWLLGJ-FUHWJXTLSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCC[N@@H+](CC3CCCC3)CC2)C1 ZINC001052703220 693599455 /nfs/dbraw/zinc/59/94/55/693599455.db2.gz RLBNUQZQQWLLGJ-FUHWJXTLSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCC[N@H+](CC3CCC3)CC2)C1 ZINC001052711965 693601188 /nfs/dbraw/zinc/60/11/88/693601188.db2.gz CCSZVWHLLHWNHC-DOTOQJQBSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCC[N@@H+](CC3CCC3)CC2)C1 ZINC001052711965 693601190 /nfs/dbraw/zinc/60/11/90/693601190.db2.gz CCSZVWHLLHWNHC-DOTOQJQBSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](C(C)C)C1 ZINC001375943507 1159009700 /nfs/dbraw/zinc/00/97/00/1159009700.db2.gz XVRGFODXELJKGO-FUHWJXTLSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@H+](C(C)C)C1 ZINC001375943507 1159009710 /nfs/dbraw/zinc/00/97/10/1159009710.db2.gz XVRGFODXELJKGO-FUHWJXTLSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[NH2+][C@@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001402321655 1162324610 /nfs/dbraw/zinc/32/46/10/1162324610.db2.gz FZDOOWWIKZRZPH-WMLDXEAASA-N 1 3 313.461 2.092 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+]C[C@@H](F)CC ZINC001402528775 1162380668 /nfs/dbraw/zinc/38/06/68/1162380668.db2.gz JNVZTHUVFPLFME-LSDHHAIUSA-N 1 3 301.450 2.047 20 0 DEADHO C[C@H](F)CC[N@@H+]1CCC[C@@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001402600717 1162406885 /nfs/dbraw/zinc/40/68/85/1162406885.db2.gz BPRHUBLWDYDNNA-LSDHHAIUSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H](F)CC[N@H+]1CCC[C@@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001402600717 1162406887 /nfs/dbraw/zinc/40/68/87/1162406887.db2.gz BPRHUBLWDYDNNA-LSDHHAIUSA-N 1 3 313.461 2.190 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@H+](CCC(F)(F)F)CC1 ZINC001402603263 1162407422 /nfs/dbraw/zinc/40/74/22/1162407422.db2.gz CXYHWYRXGJEWAT-CYBMUJFWSA-N 1 3 323.403 2.251 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@@H+](CCC(F)(F)F)CC1 ZINC001402603263 1162407425 /nfs/dbraw/zinc/40/74/25/1162407425.db2.gz CXYHWYRXGJEWAT-CYBMUJFWSA-N 1 3 323.403 2.251 20 0 DEADHO CN(CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)Cc1ccsc1 ZINC001402660911 1162433319 /nfs/dbraw/zinc/43/33/19/1162433319.db2.gz UGCAHIUXRKXNOG-OAHLLOKOSA-N 1 3 323.506 2.370 20 0 DEADHO CN(CCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)Cc1ccsc1 ZINC001402660911 1162433321 /nfs/dbraw/zinc/43/33/21/1162433321.db2.gz UGCAHIUXRKXNOG-OAHLLOKOSA-N 1 3 323.506 2.370 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001402708458 1162446680 /nfs/dbraw/zinc/44/66/80/1162446680.db2.gz YRJUKXXLFCBIEB-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CC[C@H](C[NH2+]CC3CCC3)C2)CCC1 ZINC001379689966 1152673518 /nfs/dbraw/zinc/67/35/18/1152673518.db2.gz XAZVYRSPSDITDR-JKSUJKDBSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CC1CCC1 ZINC001379758643 1152690430 /nfs/dbraw/zinc/69/04/30/1152690430.db2.gz SXRAJTALGFWRLJ-DOTOQJQBSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC1CCC1 ZINC001379758643 1152690431 /nfs/dbraw/zinc/69/04/31/1152690431.db2.gz SXRAJTALGFWRLJ-DOTOQJQBSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H](CC[NH+](C)C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001361638853 1152700179 /nfs/dbraw/zinc/70/01/79/1152700179.db2.gz CBODCUMDGUCEEL-AEFFLSMTSA-N 1 3 317.477 2.355 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H](CNCc1ccccn1)C(C)(C)C ZINC001380091660 1152749095 /nfs/dbraw/zinc/74/90/95/1152749095.db2.gz VEYRBYHJOIGTPT-MRXNPFEDSA-N 1 3 320.481 2.044 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H](CNCc1ccccn1)C(C)(C)C ZINC001380091660 1152749097 /nfs/dbraw/zinc/74/90/97/1152749097.db2.gz VEYRBYHJOIGTPT-MRXNPFEDSA-N 1 3 320.481 2.044 20 0 DEADHO CC[C@H](C(=O)N[C@]1(C)CC[N@H+](CC2CCC2)C1)N(CC)CC ZINC001380363975 1152798464 /nfs/dbraw/zinc/79/84/64/1152798464.db2.gz XUPJZAGIIDWMOG-SJLPKXTDSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)N[C@]1(C)CC[N@@H+](CC2CCC2)C1)N(CC)CC ZINC001380363975 1152798465 /nfs/dbraw/zinc/79/84/65/1152798465.db2.gz XUPJZAGIIDWMOG-SJLPKXTDSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)NCC1(C)CC[NH+](C[C@@H](F)CC)CC1 ZINC001380453661 1152814555 /nfs/dbraw/zinc/81/45/55/1152814555.db2.gz FXJJASKMZRGQAM-HNNXBMFYSA-N 1 3 315.477 2.295 20 0 DEADHO C[C@H](CC[NH+](C)C)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC001362198616 1152848055 /nfs/dbraw/zinc/84/80/55/1152848055.db2.gz RRNYPXZEDXMLHO-OAHLLOKOSA-N 1 3 323.456 2.304 20 0 DEADHO CC[N@@H+]1CCc2c(CNC(=O)CN3CC[C@H](C)C3)cccc2C1 ZINC001380823565 1152861201 /nfs/dbraw/zinc/86/12/01/1152861201.db2.gz LZCFIVIUHFTWIV-HNNXBMFYSA-N 1 3 315.461 2.023 20 0 DEADHO CC[N@H+]1CCc2c(CNC(=O)CN3CC[C@H](C)C3)cccc2C1 ZINC001380823565 1152861204 /nfs/dbraw/zinc/86/12/04/1152861204.db2.gz LZCFIVIUHFTWIV-HNNXBMFYSA-N 1 3 315.461 2.023 20 0 DEADHO CCC1([NH2+]C/C=C/Cl)CCN(C(=O)CN2CCCC2)CC1 ZINC001381020936 1152894090 /nfs/dbraw/zinc/89/40/90/1152894090.db2.gz HNJLOFFJQVJTIT-VMPITWQZSA-N 1 3 313.873 2.196 20 0 DEADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC[C@H]3N(C)CCCC3(C)C)C[N@@H+]2C1 ZINC001362429237 1152903067 /nfs/dbraw/zinc/90/30/67/1152903067.db2.gz WRTCBPCESRDVBC-WCXIOVBPSA-N 1 3 321.509 2.343 20 0 DEADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC[C@H]3N(C)CCCC3(C)C)C[N@H+]2C1 ZINC001362429237 1152903071 /nfs/dbraw/zinc/90/30/71/1152903071.db2.gz WRTCBPCESRDVBC-WCXIOVBPSA-N 1 3 321.509 2.343 20 0 DEADHO CCC(CC)C[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001381095762 1152907186 /nfs/dbraw/zinc/90/71/86/1152907186.db2.gz IDOMJEAHJTYGJX-HOCLYGCPSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](C(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC001362442116 1152909527 /nfs/dbraw/zinc/90/95/27/1152909527.db2.gz RSFHORBIOLVAQR-INIZCTEOSA-N 1 3 321.465 2.290 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](C(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC001362442116 1152909529 /nfs/dbraw/zinc/90/95/29/1152909529.db2.gz RSFHORBIOLVAQR-INIZCTEOSA-N 1 3 321.465 2.290 20 0 DEADHO CN(CC(=O)NC1CC(C[NH2+]Cc2ccccc2)C1)C1CCC1 ZINC001381318321 1153004044 /nfs/dbraw/zinc/00/40/44/1153004044.db2.gz FAJHDBAZNOPKCN-UHFFFAOYSA-N 1 3 315.461 2.155 20 0 DEADHO CCCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC001362719810 1153057162 /nfs/dbraw/zinc/05/71/62/1153057162.db2.gz NOAOIHQWDGFQQN-PMPSAXMXSA-N 1 3 307.482 2.240 20 0 DEADHO C[NH+](C)[C@@H]1C[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1(C)C ZINC001362827202 1153105901 /nfs/dbraw/zinc/10/59/01/1153105901.db2.gz MDVLTOGVMQLLEE-OGHNNQOOSA-N 1 3 313.461 2.044 20 0 DEADHO CC1CC(C[NH2+]C[C@H](C2CC2)N(C)C(=O)CN(C)C2CCC2)C1 ZINC001382019561 1153320195 /nfs/dbraw/zinc/32/01/95/1153320195.db2.gz OXMBDUWQCAJIPL-JTTJXQCZSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001382020989 1153320452 /nfs/dbraw/zinc/32/04/52/1153320452.db2.gz YJZKJQYUALDXMO-UYTYNIKBSA-N 1 3 321.509 2.247 20 0 DEADHO CC(C)(C)OC(=O)N[C@H]1C[C@@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001363430430 1153398030 /nfs/dbraw/zinc/39/80/30/1153398030.db2.gz UYUOMTZHUFVVSN-BYNSBNAKSA-N 1 3 309.454 2.259 20 0 DEADHO CC(C)(C)OC(=O)N[C@H]1C[C@@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC001363430430 1153398038 /nfs/dbraw/zinc/39/80/38/1153398038.db2.gz UYUOMTZHUFVVSN-BYNSBNAKSA-N 1 3 309.454 2.259 20 0 DEADHO CC(C)CC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC001382352459 1153432881 /nfs/dbraw/zinc/43/28/81/1153432881.db2.gz BYTFXVQGYVAMCT-MRXNPFEDSA-N 1 3 309.498 2.343 20 0 DEADHO COCc1cccc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c1 ZINC001363864942 1153678853 /nfs/dbraw/zinc/67/88/53/1153678853.db2.gz AQBXEFOZLJXFPW-GOSISDBHSA-N 1 3 318.461 2.424 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+]C[C@@H](CO)CC2CC2)CC1 ZINC001363917465 1153719662 /nfs/dbraw/zinc/71/96/62/1153719662.db2.gz HLRLNUKYMUTULH-AOCRQIFASA-N 1 3 310.482 2.018 20 0 DEADHO CCc1ccc(C[NH2+][C@H](C)CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001403012749 1162625162 /nfs/dbraw/zinc/62/51/62/1162625162.db2.gz UQRGIPWPNLJJGL-JKSUJKDBSA-N 1 3 317.477 2.185 20 0 DEADHO Cc1cc(F)ccc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)C(C)C ZINC001403035081 1162645318 /nfs/dbraw/zinc/64/53/18/1162645318.db2.gz KFHLEJBUGXHZGF-LSDHHAIUSA-N 1 3 323.456 2.457 20 0 DEADHO CC[C@H](C(=O)NC[C@H]([NH2+]Cc1csc(C)c1)C1CC1)N(C)C ZINC001389701918 1155398814 /nfs/dbraw/zinc/39/88/14/1155398814.db2.gz WRDXEUHKCBNTAP-JKSUJKDBSA-N 1 3 323.506 2.381 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C1)N(C)C ZINC001390012818 1155499866 /nfs/dbraw/zinc/49/98/66/1155499866.db2.gz SVXGDMPCLJGZEE-VDNDLQMASA-N 1 3 321.440 2.464 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1cc(C)sc1C)N(C)C ZINC001390411685 1155707692 /nfs/dbraw/zinc/70/76/92/1155707692.db2.gz MJFMCQOPOMMZIU-XHDPSFHLSA-N 1 3 311.495 2.299 20 0 DEADHO Cc1cccc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001390512737 1155777744 /nfs/dbraw/zinc/77/77/44/1155777744.db2.gz XDUQEFFXBXAVTF-DOTOQJQBSA-N 1 3 305.466 2.176 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001371199763 1155780748 /nfs/dbraw/zinc/78/07/48/1155780748.db2.gz IQIAMVOZGGANFL-CHWSQXEVSA-N 1 3 317.424 2.000 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccsc1)N(C)C ZINC001390677522 1155835533 /nfs/dbraw/zinc/83/55/33/1155835533.db2.gz OMRQEBWSZHXPNP-HIFRSBDPSA-N 1 3 311.495 2.319 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)NCc1cncs1 ZINC001371386242 1155840862 /nfs/dbraw/zinc/84/08/62/1155840862.db2.gz OGOOTFWESHGCDW-DZGCQCFKSA-N 1 3 324.494 2.000 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)NCc1cncs1 ZINC001371386242 1155840863 /nfs/dbraw/zinc/84/08/63/1155840863.db2.gz OGOOTFWESHGCDW-DZGCQCFKSA-N 1 3 324.494 2.000 20 0 DEADHO C[C@@H](c1ccccc1)[N@H+](C)CCNC(=O)CN(C)C1CCC1 ZINC001390766319 1155864396 /nfs/dbraw/zinc/86/43/96/1155864396.db2.gz UCMIAHNWURNOBR-HNNXBMFYSA-N 1 3 303.450 2.280 20 0 DEADHO C[C@@H](c1ccccc1)[N@@H+](C)CCNC(=O)CN(C)C1CCC1 ZINC001390766319 1155864397 /nfs/dbraw/zinc/86/43/97/1155864397.db2.gz UCMIAHNWURNOBR-HNNXBMFYSA-N 1 3 303.450 2.280 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](C)Cc1cc(C)ccc1C)N(C)C ZINC001372010772 1156122401 /nfs/dbraw/zinc/12/24/01/1156122401.db2.gz YXEYJZIFFVDNAX-QGZVFWFLSA-N 1 3 305.466 2.192 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](C)Cc1cc(C)ccc1C)N(C)C ZINC001372010772 1156122425 /nfs/dbraw/zinc/12/24/25/1156122425.db2.gz YXEYJZIFFVDNAX-QGZVFWFLSA-N 1 3 305.466 2.192 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](C)[C@H](C)c1cccc(C)c1)N(C)C ZINC001372193693 1156305115 /nfs/dbraw/zinc/30/51/15/1156305115.db2.gz YRTGZKNEMFKRQH-WBVHZDCISA-N 1 3 305.466 2.444 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](C)[C@H](C)c1cccc(C)c1)N(C)C ZINC001372193693 1156305120 /nfs/dbraw/zinc/30/51/20/1156305120.db2.gz YRTGZKNEMFKRQH-WBVHZDCISA-N 1 3 305.466 2.444 20 0 DEADHO CCN(CCNC(=O)CC1CC[NH+](C)CC1)Cc1ccccc1 ZINC001372422853 1156399876 /nfs/dbraw/zinc/39/98/76/1156399876.db2.gz MKJWGTCYELRYOK-UHFFFAOYSA-N 1 3 317.477 2.357 20 0 DEADHO CCN(CCNC(=O)[C@H](C(C)C)[NH+](C)C)Cc1cccc(F)c1 ZINC001372465819 1156442831 /nfs/dbraw/zinc/44/28/31/1156442831.db2.gz ZSPYEYYZONGXRV-KRWDZBQOSA-N 1 3 323.456 2.350 20 0 DEADHO O=C(CC[NH+]1CCCCC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC001391574706 1156554346 /nfs/dbraw/zinc/55/43/46/1156554346.db2.gz WOZPDMPRFBZLDW-SFHVURJKSA-N 1 3 315.461 2.253 20 0 DEADHO CCN(C(=O)CCC[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001391648669 1156642837 /nfs/dbraw/zinc/64/28/37/1156642837.db2.gz MBKOAOKRHRWEPF-SFHVURJKSA-N 1 3 317.477 2.451 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[N@H+](C)CC1CC2(CCC2)C1 ZINC001403174927 1162806717 /nfs/dbraw/zinc/80/67/17/1162806717.db2.gz SAIJKLNVIKHREB-CVEARBPZSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[N@@H+](C)CC1CC2(CCC2)C1 ZINC001403174927 1162806722 /nfs/dbraw/zinc/80/67/22/1162806722.db2.gz SAIJKLNVIKHREB-CVEARBPZSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1cccc(F)c1 ZINC001391733032 1156754793 /nfs/dbraw/zinc/75/47/93/1156754793.db2.gz BEICMMMPFJZVKE-DLBZAZTESA-N 1 3 323.456 2.396 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001391896565 1156827066 /nfs/dbraw/zinc/82/70/66/1156827066.db2.gz HNEMAEJRBFGNEE-AEFFLSMTSA-N 1 3 319.493 2.423 20 0 DEADHO CC[C@H](C(=O)N(C)CC[NH2+][C@@H]1CCc2ccccc21)N(C)C ZINC001372970179 1156830821 /nfs/dbraw/zinc/83/08/21/1156830821.db2.gz VEHHNGJVEAITMV-IAGOWNOFSA-N 1 3 303.450 2.062 20 0 DEADHO C[C@@H](F)CC[NH2+][C@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001373031277 1156842003 /nfs/dbraw/zinc/84/20/03/1156842003.db2.gz LOEGKCONCVHUNW-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H](C[NH2+]Cc1ccc(CF)cc1)NC(=O)CN(C)C1CCC1 ZINC001392482083 1157069077 /nfs/dbraw/zinc/06/90/77/1157069077.db2.gz URLGEQOGRJDIDI-CQSZACIVSA-N 1 3 321.440 2.235 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+][C@@H]1CCc2ccccc21 ZINC001392538275 1157099278 /nfs/dbraw/zinc/09/92/78/1157099278.db2.gz WMZQTSKZOQJOOQ-RHSMWYFYSA-N 1 3 303.450 2.108 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)NC(=O)CN(C)C2CCC2)cc1F ZINC001392569624 1157145833 /nfs/dbraw/zinc/14/58/33/1157145833.db2.gz WONCOANNEUSDLZ-AWEZNQCLSA-N 1 3 321.440 2.213 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](CC)[NH2+]C/C=C/Cl ZINC001373761952 1157347101 /nfs/dbraw/zinc/34/71/01/1157347101.db2.gz QFNFMPWKZNRLBC-DWOOFBTHSA-N 1 3 301.862 2.098 20 0 DEADHO CC[C@@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1ccc(C)c(F)c1 ZINC001373797484 1157371267 /nfs/dbraw/zinc/37/12/67/1157371267.db2.gz MPRCAWDGSVPTDF-RDJZCZTQSA-N 1 3 323.456 2.459 20 0 DEADHO C[NH+](C)CCCC(=O)NC1(CNCc2cncs2)CCCC1 ZINC001373853127 1157407927 /nfs/dbraw/zinc/40/79/27/1157407927.db2.gz CTDBYBKIDGTWCW-UHFFFAOYSA-N 1 3 324.494 2.004 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CC4CC4)C[C@H]3C2)CCC1 ZINC001403398195 1162872033 /nfs/dbraw/zinc/87/20/33/1162872033.db2.gz AYDYZIMVJNMSKG-GVDBMIGSSA-N 1 3 319.493 2.097 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](CC4CC4)C[C@H]3C2)CCC1 ZINC001403398195 1162872038 /nfs/dbraw/zinc/87/20/38/1162872038.db2.gz AYDYZIMVJNMSKG-GVDBMIGSSA-N 1 3 319.493 2.097 20 0 DEADHO CC[C@H](C(=O)NC[C@@]1(C)CCC[N@H+](CC2CCC2)C1)N(C)C ZINC001393205100 1157760938 /nfs/dbraw/zinc/76/09/38/1157760938.db2.gz LCEQZFSLEUAUAZ-SJLPKXTDSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)NC[C@@]1(C)CCC[N@@H+](CC2CCC2)C1)N(C)C ZINC001393205100 1157760942 /nfs/dbraw/zinc/76/09/42/1157760942.db2.gz LCEQZFSLEUAUAZ-SJLPKXTDSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH2+]CCC1CCCC1 ZINC001403466694 1162891535 /nfs/dbraw/zinc/89/15/35/1162891535.db2.gz GBQWYMKXXOMTAP-ZDUSSCGKSA-N 1 3 306.454 2.325 20 0 DEADHO C[C@@H](C[NH2+]CC1CC(C)(C)C1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001374283252 1157801685 /nfs/dbraw/zinc/80/16/85/1157801685.db2.gz RGGAMHXYIZMLNE-CABCVRRESA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H](C[NH2+]CC1CCCC1)N(C)C(=O)CN1CCC(C)CC1 ZINC001374304594 1157808082 /nfs/dbraw/zinc/80/80/82/1157808082.db2.gz MDNAOMFWJSWXSW-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H]([NH2+]CCC(C)(C)C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001393390847 1157818615 /nfs/dbraw/zinc/81/86/15/1157818615.db2.gz LTSWNPKUWPJWBY-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO CCc1cccc(C[N@H+](C)CCN(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001374471989 1157868218 /nfs/dbraw/zinc/86/82/18/1157868218.db2.gz QMFJFOHNDAHYLH-SFHVURJKSA-N 1 3 317.477 2.233 20 0 DEADHO CCc1cccc(C[N@@H+](C)CCN(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001374471989 1157868219 /nfs/dbraw/zinc/86/82/19/1157868219.db2.gz QMFJFOHNDAHYLH-SFHVURJKSA-N 1 3 317.477 2.233 20 0 DEADHO CC[C@@H](F)C[NH2+]C1(CC)CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001393681350 1157902137 /nfs/dbraw/zinc/90/21/37/1157902137.db2.gz SLJZCQDVRYBFGF-CABCVRRESA-N 1 3 315.477 2.436 20 0 DEADHO CCC[N@H+](CC)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001393858429 1158025551 /nfs/dbraw/zinc/02/55/51/1158025551.db2.gz RGCUANMKRSOJQZ-MRXNPFEDSA-N 1 3 309.498 2.299 20 0 DEADHO CCC[N@@H+](CC)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001393858429 1158025559 /nfs/dbraw/zinc/02/55/59/1158025559.db2.gz RGCUANMKRSOJQZ-MRXNPFEDSA-N 1 3 309.498 2.299 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)cc1 ZINC001374980832 1158150634 /nfs/dbraw/zinc/15/06/34/1158150634.db2.gz ATLHKQYNTWSWPZ-WMLDXEAASA-N 1 3 321.440 2.294 20 0 DEADHO Cc1cccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001394010706 1158160086 /nfs/dbraw/zinc/16/00/86/1158160086.db2.gz XREKSBYWZQOIQC-CVEARBPZSA-N 1 3 305.466 2.318 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)CN(C)Cc1cccc(F)c1)[NH+](C)C ZINC001375148885 1158352503 /nfs/dbraw/zinc/35/25/03/1158352503.db2.gz KBZZIHDQVFALSL-WMLDXEAASA-N 1 3 323.456 2.348 20 0 DEADHO CC(C)[C@@H](CCN(C)C(=O)CN1CCCC1)[NH2+]CC1CCC1 ZINC001394192530 1158358969 /nfs/dbraw/zinc/35/89/69/1158358969.db2.gz SAXKBJFRKKJQFY-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccccc1F)C1CC1)N(C)C ZINC001375255874 1158412192 /nfs/dbraw/zinc/41/21/92/1158412192.db2.gz BXVNRTUIZSFOLU-SJORKVTESA-N 1 3 321.440 2.150 20 0 DEADHO CC[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1[NH2+]CC1CCC1 ZINC001375288985 1158427908 /nfs/dbraw/zinc/42/79/08/1158427908.db2.gz QMKIZOHGKXJRTL-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1cc(CNC2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cs1 ZINC001375419642 1158588182 /nfs/dbraw/zinc/58/81/82/1158588182.db2.gz FZGCTMKTSVGALA-UKRRQHHQSA-N 1 3 321.490 2.135 20 0 DEADHO Cc1cc(CNC2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cs1 ZINC001375419642 1158588190 /nfs/dbraw/zinc/58/81/90/1158588190.db2.gz FZGCTMKTSVGALA-UKRRQHHQSA-N 1 3 321.490 2.135 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](C)[C@@H](C)c1cccc(OC)c1)N(C)C ZINC001403587361 1163025440 /nfs/dbraw/zinc/02/54/40/1163025440.db2.gz LAKFTMBMDGJXQL-WMLDXEAASA-N 1 3 321.465 2.144 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](C)[C@@H](C)c1cccc(OC)c1)N(C)C ZINC001403587361 1163025444 /nfs/dbraw/zinc/02/54/44/1163025444.db2.gz LAKFTMBMDGJXQL-WMLDXEAASA-N 1 3 321.465 2.144 20 0 DEADHO Cc1cc(C[NH2+][C@@H](CNC(=O)CN(C)C(C)C)C2CC2)cs1 ZINC001376282768 1159313206 /nfs/dbraw/zinc/31/32/06/1159313206.db2.gz VAHNJKWVICQHCQ-INIZCTEOSA-N 1 3 323.506 2.381 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc(C)c2)C1)N(C)C ZINC001376403145 1159390118 /nfs/dbraw/zinc/39/01/18/1159390118.db2.gz WLOAUDDAOACOMW-KKUMJFAQSA-N 1 3 309.479 2.134 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001376519445 1159497929 /nfs/dbraw/zinc/49/79/29/1159497929.db2.gz YNYZRZPAIJKPKP-IYBDPMFKSA-N 1 3 307.482 2.144 20 0 DEADHO Cc1cccc(C)c1C[NH2+][C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001376795053 1159801898 /nfs/dbraw/zinc/80/18/98/1159801898.db2.gz ATZDPGGGNHWFAQ-RHSMWYFYSA-N 1 3 317.477 2.240 20 0 DEADHO Cc1ccc(CC[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001376804283 1159806831 /nfs/dbraw/zinc/80/68/31/1159806831.db2.gz PVBZVNZAUPYZSF-FUHWJXTLSA-N 1 3 319.493 2.218 20 0 DEADHO CCc1ccc(CN(C)CCNC(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC001377174480 1160011922 /nfs/dbraw/zinc/01/19/22/1160011922.db2.gz XSQKXBIZFFBFRP-SFHVURJKSA-N 1 3 319.493 2.383 20 0 DEADHO C[C@@H](c1ccc(F)cc1)N(C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001377217620 1160045468 /nfs/dbraw/zinc/04/54/68/1160045468.db2.gz XDYGDEBXHYBJMP-AWEZNQCLSA-N 1 3 321.440 2.277 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001377408158 1160335692 /nfs/dbraw/zinc/33/56/92/1160335692.db2.gz BFNWNVRTZXMENE-PBHICJAKSA-N 1 3 313.461 2.190 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001377408158 1160335701 /nfs/dbraw/zinc/33/57/01/1160335701.db2.gz BFNWNVRTZXMENE-PBHICJAKSA-N 1 3 313.461 2.190 20 0 DEADHO Cc1ccc(C)c(CN(C)CCNC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001403729099 1163117049 /nfs/dbraw/zinc/11/70/49/1163117049.db2.gz FUTBYFCKLYDLCG-QGZVFWFLSA-N 1 3 317.477 2.193 20 0 DEADHO Cc1ccc(C)c(CN(C)CCNC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001403729099 1163117055 /nfs/dbraw/zinc/11/70/55/1163117055.db2.gz FUTBYFCKLYDLCG-QGZVFWFLSA-N 1 3 317.477 2.193 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001397610258 1160361494 /nfs/dbraw/zinc/36/14/94/1160361494.db2.gz POUJKECRLWBUTC-VNQPRFMTSA-N 1 3 309.498 2.247 20 0 DEADHO CC[C@@H](F)CN1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001377449050 1160378165 /nfs/dbraw/zinc/37/81/65/1160378165.db2.gz URMNGPRORUIPSL-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[N@@H+](C)CC[C@H](C)F ZINC001397804455 1160530880 /nfs/dbraw/zinc/53/08/80/1160530880.db2.gz KGQUVVMBFVZRRM-HOTGVXAUSA-N 1 3 315.477 2.388 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[N@H+](C)CC[C@H](C)F ZINC001397804455 1160530888 /nfs/dbraw/zinc/53/08/88/1160530888.db2.gz KGQUVVMBFVZRRM-HOTGVXAUSA-N 1 3 315.477 2.388 20 0 DEADHO CC[C@H](C(=O)N1CCC([C@H](C)[NH2+]CCC2CC2)CC1)N(C)C ZINC001377602684 1160581207 /nfs/dbraw/zinc/58/12/07/1160581207.db2.gz BYKHNKYAYPIUOQ-WMLDXEAASA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001398202498 1160817289 /nfs/dbraw/zinc/81/72/89/1160817289.db2.gz INHRYMMRDAALRH-HOCLYGCPSA-N 1 3 306.454 2.358 20 0 DEADHO CC[C@H](c1ccc(F)cc1)N1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001398343602 1160860661 /nfs/dbraw/zinc/86/06/61/1160860661.db2.gz XDDOSUCISAMHGI-DLBZAZTESA-N 1 3 321.440 2.419 20 0 DEADHO CC[C@@H](C(=O)N(C)C1CCC([NH2+]CC2CCC2)CC1)N(C)C ZINC001377924554 1160873363 /nfs/dbraw/zinc/87/33/63/1160873363.db2.gz VXHZCYSSFZZUDV-JCYILVPMSA-N 1 3 309.498 2.486 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001398570936 1160988572 /nfs/dbraw/zinc/98/85/72/1160988572.db2.gz VYRMIBXACBNBEN-WKILWMFISA-N 1 3 323.868 2.419 20 0 DEADHO Cc1ccc(CN2CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C2)cc1 ZINC001378162117 1161068331 /nfs/dbraw/zinc/06/83/31/1161068331.db2.gz AOZPQPSYYFDJHP-GOSISDBHSA-N 1 3 317.477 2.370 20 0 DEADHO CC[C@H](C(=O)NC1CCC([NH2+]Cc2cncs2)CC1)N(C)C ZINC001398834700 1161117276 /nfs/dbraw/zinc/11/72/76/1161117276.db2.gz BVRZZMXXMVEZDU-SSDMNJCBSA-N 1 3 324.494 2.000 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]C/C=C/c1ccccc1)N(C)C ZINC001399110542 1161239190 /nfs/dbraw/zinc/23/91/90/1161239190.db2.gz RJMBTVVPSAZTJE-ULVFTUSLSA-N 1 3 317.477 2.380 20 0 DEADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)[C@H](C)c1ccc(F)cc1 ZINC001399831939 1161583022 /nfs/dbraw/zinc/58/30/22/1161583022.db2.gz XHZTZQLHALWYLD-ZBFHGGJFSA-N 1 3 321.440 2.277 20 0 DEADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@H](C)c1ccc(F)cc1 ZINC001399831939 1161583025 /nfs/dbraw/zinc/58/30/25/1161583025.db2.gz XHZTZQLHALWYLD-ZBFHGGJFSA-N 1 3 321.440 2.277 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001401148562 1161883072 /nfs/dbraw/zinc/88/30/72/1161883072.db2.gz XPJZSDVNQZKBGZ-CRAIPNDOSA-N 1 3 319.493 2.423 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001401200613 1161892781 /nfs/dbraw/zinc/89/27/81/1161892781.db2.gz JMIYZMUPXHNITK-PBHICJAKSA-N 1 3 321.440 2.165 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccsc1 ZINC001401629033 1162051845 /nfs/dbraw/zinc/05/18/45/1162051845.db2.gz UMCZMIXVGDUQRG-JKSUJKDBSA-N 1 3 323.506 2.464 20 0 DEADHO Cc1ccc(F)c(CNC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001401720889 1162091126 /nfs/dbraw/zinc/09/11/26/1162091126.db2.gz VVCYLLAGUORVTD-WMLDXEAASA-N 1 3 323.456 2.315 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)CCc1ccccc1)N(C)C ZINC001401783639 1162129130 /nfs/dbraw/zinc/12/91/30/1162129130.db2.gz VNDYTYYWAYJNGL-WBVHZDCISA-N 1 3 305.466 2.006 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CCc1ccccc1)N(C)C ZINC001401783639 1162129134 /nfs/dbraw/zinc/12/91/34/1162129134.db2.gz VNDYTYYWAYJNGL-WBVHZDCISA-N 1 3 305.466 2.006 20 0 DEADHO Cc1cc(F)ccc1C[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001401834449 1162148861 /nfs/dbraw/zinc/14/88/61/1162148861.db2.gz YDUBXBGYKJTMMO-OAHLLOKOSA-N 1 3 323.456 2.411 20 0 DEADHO Cc1cc(F)ccc1C[N@H+](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001401834449 1162148863 /nfs/dbraw/zinc/14/88/63/1162148863.db2.gz YDUBXBGYKJTMMO-OAHLLOKOSA-N 1 3 323.456 2.411 20 0 DEADHO CCN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)Cc1cccc(C)c1 ZINC001403927669 1163302027 /nfs/dbraw/zinc/30/20/27/1163302027.db2.gz XCBXUCSAMMJMKA-SFHVURJKSA-N 1 3 317.477 2.275 20 0 DEADHO CCN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)Cc1cccc(C)c1 ZINC001403927669 1163302034 /nfs/dbraw/zinc/30/20/34/1163302034.db2.gz XCBXUCSAMMJMKA-SFHVURJKSA-N 1 3 317.477 2.275 20 0 DEADHO CCC[N@H+](C)CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001404623775 1163758407 /nfs/dbraw/zinc/75/84/07/1163758407.db2.gz OYXNBHCBDYSARC-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CCC[N@@H+](C)CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001404623775 1163758412 /nfs/dbraw/zinc/75/84/12/1163758412.db2.gz OYXNBHCBDYSARC-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)NCC1C[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001404920506 1163860364 /nfs/dbraw/zinc/86/03/64/1163860364.db2.gz MQTUKDDWXGFWOY-INIZCTEOSA-N 1 3 317.477 2.446 20 0 DEADHO CC[C@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]CC1CC1 ZINC001405334909 1164054759 /nfs/dbraw/zinc/05/47/59/1164054759.db2.gz DZHVOJAMRUSCFV-QGZVFWFLSA-N 1 3 303.450 2.256 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1)N(C)C ZINC001405524356 1164134656 /nfs/dbraw/zinc/13/46/56/1164134656.db2.gz WFKKFMOYKXDXLA-ULQDDVLXSA-N 1 3 309.498 2.390 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1 ZINC001405896333 1164319202 /nfs/dbraw/zinc/31/92/02/1164319202.db2.gz BYORRCKSTYREQL-WMZOPIPTSA-N 1 3 317.477 2.498 20 0 DEADHO Cc1ccc(CC[N@@H+](C)CCN(C)C(=O)CN(C)C(C)C)cc1 ZINC001406174401 1164493004 /nfs/dbraw/zinc/49/30/04/1164493004.db2.gz UZZLVKZLTHUSQZ-UHFFFAOYSA-N 1 3 319.493 2.268 20 0 DEADHO Cc1ccc(CC[N@H+](C)CCN(C)C(=O)CN(C)C(C)C)cc1 ZINC001406174401 1164493009 /nfs/dbraw/zinc/49/30/09/1164493009.db2.gz UZZLVKZLTHUSQZ-UHFFFAOYSA-N 1 3 319.493 2.268 20 0 DEADHO CCc1ccccc1C[NH2+]C1(CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001406967349 1164896521 /nfs/dbraw/zinc/89/65/21/1164896521.db2.gz ULSFOUQSXSMBRG-KRWDZBQOSA-N 1 3 317.477 2.328 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C[NH2+]CC1CCC1 ZINC001407532594 1165186510 /nfs/dbraw/zinc/18/65/10/1165186510.db2.gz GWFOKAALUQCASM-RDJZCZTQSA-N 1 3 323.525 2.449 20 0 DEADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(F)cc1 ZINC001408197960 1165529349 /nfs/dbraw/zinc/52/93/49/1165529349.db2.gz KSNLYHUTGXLABK-AWEZNQCLSA-N 1 3 321.440 2.294 20 0 DEADHO CC1(C)CCCN(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001417729333 1167171899 /nfs/dbraw/zinc/17/18/99/1167171899.db2.gz ZPAUITNELNRISN-CVEARBPZSA-N 1 3 307.482 2.242 20 0 DEADHO CC1(C)CCCN(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001417729333 1167171901 /nfs/dbraw/zinc/17/19/01/1167171901.db2.gz ZPAUITNELNRISN-CVEARBPZSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCC2)C1)N(C)C ZINC001417808005 1167227587 /nfs/dbraw/zinc/22/75/87/1167227587.db2.gz AAFARXAESOIBGX-GVDBMIGSSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H](F)CC[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001417841038 1167248829 /nfs/dbraw/zinc/24/88/29/1167248829.db2.gz QCCGXCCDILHEMX-KGLIPLIRSA-N 1 3 310.417 2.061 20 0 DEADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccc(CF)cc1 ZINC001418574229 1167821655 /nfs/dbraw/zinc/82/16/55/1167821655.db2.gz FVTNZLQHYOFLJI-KRWDZBQOSA-N 1 3 321.440 2.046 20 0 DEADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccc(CF)cc1 ZINC001418574229 1167821658 /nfs/dbraw/zinc/82/16/58/1167821658.db2.gz FVTNZLQHYOFLJI-KRWDZBQOSA-N 1 3 321.440 2.046 20 0 DEADHO CC[C@H](C)C[N@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001418943027 1168084455 /nfs/dbraw/zinc/08/44/55/1168084455.db2.gz SCNCGXBWCPAMER-DOTOQJQBSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C)C[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001418943027 1168084458 /nfs/dbraw/zinc/08/44/58/1168084458.db2.gz SCNCGXBWCPAMER-DOTOQJQBSA-N 1 3 309.498 2.297 20 0 DEADHO CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001419233208 1168332391 /nfs/dbraw/zinc/33/23/91/1168332391.db2.gz YGCHFRSPCAXNPK-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H](CC)N(C)C)CC1 ZINC001419384000 1168436312 /nfs/dbraw/zinc/43/63/12/1168436312.db2.gz HEWOYQXJBBCCQL-AJNGGQMLSA-N 1 3 301.450 2.092 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCN2C)c(C)c1 ZINC001419652797 1168757024 /nfs/dbraw/zinc/75/70/24/1168757024.db2.gz PTZVUDOPOVYIDW-SJLPKXTDSA-N 1 3 317.477 2.334 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1CCC([NH2+]CC[C@H](C)F)CC1 ZINC001419687305 1168802840 /nfs/dbraw/zinc/80/28/40/1168802840.db2.gz YJAATAMTXDRXSL-XGNXJENSSA-N 1 3 310.417 2.026 20 0 DEADHO CN(Cc1ccsc1)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001420044464 1169099598 /nfs/dbraw/zinc/09/95/98/1169099598.db2.gz FEHWQXBSNZUJTQ-HNNXBMFYSA-N 1 3 309.479 2.123 20 0 DEADHO CCN(CC[NH2+][C@@H](C)c1cccc(F)c1)C(=O)[C@H]1CCCN1C ZINC001420234980 1169266804 /nfs/dbraw/zinc/26/68/04/1169266804.db2.gz IGUVPGITOJEEIE-WMLDXEAASA-N 1 3 321.440 2.419 20 0 DEADHO Cc1ccc(C)c(CN(C)CCNC(=O)CCC[NH+](C)C)c1 ZINC001420294086 1169328888 /nfs/dbraw/zinc/32/88/88/1169328888.db2.gz NOJOYRAAPXHEQJ-UHFFFAOYSA-N 1 3 305.466 2.193 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](C)[C@H](C)c1ccccc1C)N(C)C ZINC001420302251 1169337631 /nfs/dbraw/zinc/33/76/31/1169337631.db2.gz WTJVHNOKTZKREH-WBVHZDCISA-N 1 3 305.466 2.444 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](C)[C@H](C)c1ccccc1C)N(C)C ZINC001420302251 1169337638 /nfs/dbraw/zinc/33/76/38/1169337638.db2.gz WTJVHNOKTZKREH-WBVHZDCISA-N 1 3 305.466 2.444 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC[N@H+](C)CC1CCCC1 ZINC001420304073 1169339766 /nfs/dbraw/zinc/33/97/66/1169339766.db2.gz AEMMITZBQSYLNV-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC[N@@H+](C)CC1CCCC1 ZINC001420304073 1169339776 /nfs/dbraw/zinc/33/97/76/1169339776.db2.gz AEMMITZBQSYLNV-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](CNCc1ccccc1F)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001420310981 1169345929 /nfs/dbraw/zinc/34/59/29/1169345929.db2.gz FGRLTWOPXHJMRT-GDBMZVCRSA-N 1 3 321.440 2.294 20 0 DEADHO C[C@H](CNCc1ccccc1F)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001420310981 1169345934 /nfs/dbraw/zinc/34/59/34/1169345934.db2.gz FGRLTWOPXHJMRT-GDBMZVCRSA-N 1 3 321.440 2.294 20 0 DEADHO C[C@H](CN(C)Cc1cccc(F)c1)NC(=O)CCC[NH+](C)C ZINC001420609655 1169826917 /nfs/dbraw/zinc/82/69/17/1169826917.db2.gz JTRYTEVBNZEKDV-CQSZACIVSA-N 1 3 309.429 2.104 20 0 DEADHO Cc1cc(F)ccc1CN(C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001420615531 1169830374 /nfs/dbraw/zinc/83/03/74/1169830374.db2.gz RXQUURFGDIIARP-HNNXBMFYSA-N 1 3 323.456 2.412 20 0 DEADHO C[C@H]([NH2+]CCN(C)C(=O)C1(N(C)C)CCC1)c1ccccc1 ZINC001420737169 1171095789 /nfs/dbraw/zinc/09/57/89/1171095789.db2.gz URIVPPYTWWHWAA-HNNXBMFYSA-N 1 3 303.450 2.280 20 0 DEADHO CCC(CC)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001421108024 1171499217 /nfs/dbraw/zinc/49/92/17/1171499217.db2.gz QEBOCVXVEORANE-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccccc1C ZINC001421425749 1171792006 /nfs/dbraw/zinc/79/20/06/1171792006.db2.gz QAJUDDCJNJICRS-QGZVFWFLSA-N 1 3 317.477 2.464 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](C/C=C\Cl)C2 ZINC001421512998 1171828231 /nfs/dbraw/zinc/82/82/31/1171828231.db2.gz DSQISMSXCHFLOK-VMPYYGSESA-N 1 3 313.873 2.050 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C/C=C\Cl)C2 ZINC001421512998 1171828235 /nfs/dbraw/zinc/82/82/35/1171828235.db2.gz DSQISMSXCHFLOK-VMPYYGSESA-N 1 3 313.873 2.050 20 0 DEADHO CN(CCC[N@H+](C)CCc1ccccc1)C(=O)[C@H]1CCCN1C ZINC001421838167 1172034266 /nfs/dbraw/zinc/03/42/66/1172034266.db2.gz GXQNXQJJLOQZJJ-GOSISDBHSA-N 1 3 317.477 2.104 20 0 DEADHO CN(CCC[N@@H+](C)CCc1ccccc1)C(=O)[C@H]1CCCN1C ZINC001421838167 1172034274 /nfs/dbraw/zinc/03/42/74/1172034274.db2.gz GXQNXQJJLOQZJJ-GOSISDBHSA-N 1 3 317.477 2.104 20 0 DEADHO Cc1ccc(C)c(C[NH2+]C[C@H](C)N(C)C(=O)Cc2c[nH]cn2)c1 ZINC001421957313 1172185322 /nfs/dbraw/zinc/18/53/22/1172185322.db2.gz MLKYIUPQNRRMRL-HNNXBMFYSA-N 1 3 314.433 2.206 20 0 DEADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NCc1ccccc1Cl ZINC001422068811 1172271727 /nfs/dbraw/zinc/27/17/27/1172271727.db2.gz UWUUDSPJUCEKSE-BBRMVZONSA-N 1 3 323.868 2.228 20 0 DEADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccccc1F ZINC001422150605 1172348406 /nfs/dbraw/zinc/34/84/06/1172348406.db2.gz FBBDZRKCBXHMST-AWEZNQCLSA-N 1 3 321.440 2.294 20 0 DEADHO C[C@H](CNC(=O)CC[NH+](C)C)N(C)Cc1ccc(Cl)cc1 ZINC001422560287 1172710400 /nfs/dbraw/zinc/71/04/00/1172710400.db2.gz HXWNJCYLEGZTDL-CYBMUJFWSA-N 1 3 311.857 2.228 20 0 DEADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3ccc4c(c3)CCC(=O)N4C)[C@@H]2C1 ZINC001422975361 1172991068 /nfs/dbraw/zinc/99/10/68/1172991068.db2.gz WQYPSGIRLJFSMN-BBWFWOEESA-N 1 3 313.445 2.025 20 0 DEADHO CC(C)(C)CCCN1CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001423088115 1173067836 /nfs/dbraw/zinc/06/78/36/1173067836.db2.gz DQEMQZPWIZLCFW-IAGOWNOFSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H](F)CC[NH2+]C1(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001423211518 1173167471 /nfs/dbraw/zinc/16/74/71/1173167471.db2.gz SGQLZFNPHVFICS-CQSZACIVSA-N 1 3 313.461 2.237 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCc2ccccc2)[C@@H]1C ZINC001423334803 1173256476 /nfs/dbraw/zinc/25/64/76/1173256476.db2.gz ZJUYKBLFVRJNCE-FUHWJXTLSA-N 1 3 317.477 2.150 20 0 DEADHO CC[C@H](C)C[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001423372688 1173312036 /nfs/dbraw/zinc/31/20/36/1173312036.db2.gz CYDLWPNICKJHPJ-WMZOPIPTSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C)C[N@H+]1CC[C@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001423372688 1173312043 /nfs/dbraw/zinc/31/20/43/1173312043.db2.gz CYDLWPNICKJHPJ-WMZOPIPTSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N(CCN(C)CCCF)C(C)C)CC[N@@H+]1C ZINC001423586627 1173429794 /nfs/dbraw/zinc/42/97/94/1173429794.db2.gz SHRNSWSNRPYMLJ-JKSUJKDBSA-N 1 3 315.477 2.245 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]Cc2ccccc2F)[C@@H](C)C1 ZINC001424476493 1173802757 /nfs/dbraw/zinc/80/27/57/1173802757.db2.gz CYTJFWDAXRCNHD-YOEHRIQHSA-N 1 3 321.440 2.102 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC(C)([NH2+]CC[C@H](C)F)CC1)N(C)C ZINC001424493262 1173810614 /nfs/dbraw/zinc/81/06/14/1173810614.db2.gz WIFVCXAAROOBEZ-LSDHHAIUSA-N 1 3 315.477 2.291 20 0 DEADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]Cc1ccsc1 ZINC001424805667 1173945418 /nfs/dbraw/zinc/94/54/18/1173945418.db2.gz VFCUKQSJYXQJQU-QWHCGFSZSA-N 1 3 309.479 2.215 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)CC1CC2(CCC2)C1 ZINC001424950893 1174053174 /nfs/dbraw/zinc/05/31/74/1174053174.db2.gz VHABLYWGGMUEQK-HNNXBMFYSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)CC1CC2(CCC2)C1 ZINC001424950893 1174053178 /nfs/dbraw/zinc/05/31/78/1174053178.db2.gz VHABLYWGGMUEQK-HNNXBMFYSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](C)C[NH+]1CC([C@@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001425242943 1174256457 /nfs/dbraw/zinc/25/64/57/1174256457.db2.gz RNKJDVUCBUOSCD-LSDHHAIUSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001425497293 1174339464 /nfs/dbraw/zinc/33/94/64/1174339464.db2.gz WVRDDJICCZQEMV-GOEBONIOSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CCc1ccccc1F)N(C)C ZINC001425600182 1174393853 /nfs/dbraw/zinc/39/38/53/1174393853.db2.gz SXEFCGKJWAGZIL-WMLDXEAASA-N 1 3 323.456 2.145 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]CC1CC(C)C1)C(C)(C)C ZINC001426159746 1174623514 /nfs/dbraw/zinc/62/35/14/1174623514.db2.gz BXFMZBDMXULTEK-UYSNPLJNSA-N 1 3 311.514 2.493 20 0 DEADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccccc2C)C1)N(C)C ZINC001426225875 1174660107 /nfs/dbraw/zinc/66/01/07/1174660107.db2.gz SVKRUJNIUFBXOU-ABHNRTSZSA-N 1 3 317.477 2.414 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]C/C=C/Cl)C1 ZINC001426244513 1174667323 /nfs/dbraw/zinc/66/73/23/1174667323.db2.gz IVGKCXSQFYSZDB-QBUIAIAMSA-N 1 3 313.873 2.192 20 0 DEADHO C[N@@H+]1C[C@@H](NC(=O)c2ccc(Nc3ccncc3)cc2)C(C)(C)C1 ZINC001434381213 1178424918 /nfs/dbraw/zinc/42/49/18/1178424918.db2.gz PQAFHFGEEYWNLD-QGZVFWFLSA-N 1 3 324.428 2.317 20 0 DEADHO C[N@H+]1C[C@@H](NC(=O)c2ccc(Nc3ccncc3)cc2)C(C)(C)C1 ZINC001434381213 1178424932 /nfs/dbraw/zinc/42/49/32/1178424932.db2.gz PQAFHFGEEYWNLD-QGZVFWFLSA-N 1 3 324.428 2.317 20 0 DEADHO C[NH+]1CCC(CN[C@H](CC(N)=O)c2ccccc2Cl)CC1 ZINC001434524282 1178765236 /nfs/dbraw/zinc/76/52/36/1178765236.db2.gz BTWUIDCGPDCSQP-OAHLLOKOSA-N 1 3 309.841 2.188 20 0 DEADHO C[C@@H]1C[C@H](C[NH2+]C2CCC(C)(N3CCOCC3)CC2)[C@@H](C)O1 ZINC001434533343 1178798037 /nfs/dbraw/zinc/79/80/37/1178798037.db2.gz PRMKWXFDDARVDQ-UZROPOIGSA-N 1 3 310.482 2.423 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)CC[N@@H+]1CC ZINC001436444889 1179102680 /nfs/dbraw/zinc/10/26/80/1179102680.db2.gz IRURNAMHXLGTON-GVDBMIGSSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)CC[N@H+]1CC ZINC001436444889 1179102697 /nfs/dbraw/zinc/10/26/97/1179102697.db2.gz IRURNAMHXLGTON-GVDBMIGSSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+](CC2CC2)C1)N1CCCCC1 ZINC001436694519 1179194493 /nfs/dbraw/zinc/19/44/93/1179194493.db2.gz IZYDKOQGECXAKL-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CCC[N@@H+](CC2CC2)C1)N1CCCCC1 ZINC001436694519 1179194502 /nfs/dbraw/zinc/19/45/02/1179194502.db2.gz IZYDKOQGECXAKL-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN(C(=O)CN1CCC(C)CC1)C1CC[NH+](CC)CC1 ZINC001436757102 1179219002 /nfs/dbraw/zinc/21/90/02/1179219002.db2.gz DHSKTFCJOHZIBX-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CCc1ccc(C[NH2+][C@@H](C)CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001437144223 1179481709 /nfs/dbraw/zinc/48/17/09/1179481709.db2.gz JCOZZXXOCNTYSS-HNNXBMFYSA-N 1 3 317.477 2.328 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCC1CCCCC1 ZINC001437214647 1179595334 /nfs/dbraw/zinc/59/53/34/1179595334.db2.gz WQZABOMRNJEWPN-HOTGVXAUSA-N 1 3 309.498 2.393 20 0 DEADHO Cc1cc(C[NH2+][C@H](C)CNC(=O)CN(C)C(C)C)c(C)s1 ZINC001437263007 1179677063 /nfs/dbraw/zinc/67/70/63/1179677063.db2.gz RAYHMLNPEJPCET-GFCCVEGCSA-N 1 3 311.495 2.299 20 0 DEADHO CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001437991025 1180143071 /nfs/dbraw/zinc/14/30/71/1180143071.db2.gz ORQPIQDSRUHPFU-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001437991025 1180143078 /nfs/dbraw/zinc/14/30/78/1180143078.db2.gz ORQPIQDSRUHPFU-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@H](C[NH2+]Cc1ccccc1)N(C)C(=O)CN(C)C1CCC1 ZINC001438652318 1180729231 /nfs/dbraw/zinc/72/92/31/1180729231.db2.gz NHICMCHGJCKRME-OAHLLOKOSA-N 1 3 303.450 2.107 20 0 DEADHO C[C@@H](c1ccccc1)N(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001438936275 1180857740 /nfs/dbraw/zinc/85/77/40/1180857740.db2.gz FPARACJRXHBIJL-DOTOQJQBSA-N 1 3 303.450 2.090 20 0 DEADHO C[C@@H](c1ccccc1)N(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001438936275 1180857744 /nfs/dbraw/zinc/85/77/44/1180857744.db2.gz FPARACJRXHBIJL-DOTOQJQBSA-N 1 3 303.450 2.090 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1 ZINC001439287250 1180992106 /nfs/dbraw/zinc/99/21/06/1180992106.db2.gz ZKSLMLSBWONIQA-ZDUSSCGKSA-N 1 3 311.857 2.275 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CCN1CCCC1CCC1)[NH+](C)C ZINC001439558419 1181142281 /nfs/dbraw/zinc/14/22/81/1181142281.db2.gz ACRFDLBJDYIPBU-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO Cc1cc(CN2CC[C@@](C)(NC(=O)CCC[NH+](C)C)C2)cs1 ZINC001439854866 1181273650 /nfs/dbraw/zinc/27/36/50/1181273650.db2.gz SPYOBIXAAKLCBX-QGZVFWFLSA-N 1 3 323.506 2.479 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]2C[N@H+](CC3CC3)C[C@H]21)N(CC)CC ZINC001440192058 1181377762 /nfs/dbraw/zinc/37/77/62/1181377762.db2.gz ZOICQVNSHPMBGR-RCCFBDPRSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]2C[N@@H+](CC3CC3)C[C@H]21)N(CC)CC ZINC001440192058 1181377772 /nfs/dbraw/zinc/37/77/72/1181377772.db2.gz ZOICQVNSHPMBGR-RCCFBDPRSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCCC2)[C@@H]1C)N(C)C ZINC001440489514 1181555670 /nfs/dbraw/zinc/55/56/70/1181555670.db2.gz MVAYBCTUCGWOPB-PVAVHDDUSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)[C@@H]1C)N(C)C ZINC001440489514 1181555677 /nfs/dbraw/zinc/55/56/77/1181555677.db2.gz MVAYBCTUCGWOPB-PVAVHDDUSA-N 1 3 309.498 2.342 20 0 DEADHO CCC1([NH2+]CCC2CC2)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001440533385 1181585025 /nfs/dbraw/zinc/58/50/25/1181585025.db2.gz SPROWDPXZDKHOV-INIZCTEOSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)Cc1ccc(CF)cc1 ZINC001441006569 1181823184 /nfs/dbraw/zinc/82/31/84/1181823184.db2.gz CNTBDXZOKPDRFL-PBHICJAKSA-N 1 3 321.440 2.044 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)Cc1ccc(CF)cc1 ZINC001441006569 1181823188 /nfs/dbraw/zinc/82/31/88/1181823188.db2.gz CNTBDXZOKPDRFL-PBHICJAKSA-N 1 3 321.440 2.044 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccsc1)C1CC1)N(C)C ZINC001441194722 1181890615 /nfs/dbraw/zinc/89/06/15/1181890615.db2.gz ANINBFZVAVPXKA-HOTGVXAUSA-N 1 3 323.506 2.319 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@@H]([NH2+]CC2CC(C)(C)C2)C2CC2)C1 ZINC001441233600 1181906979 /nfs/dbraw/zinc/90/69/79/1181906979.db2.gz ZVUWMCPNPFYVEH-RHSMWYFYSA-N 1 3 321.509 2.249 20 0 DEADHO CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001441321832 1181943254 /nfs/dbraw/zinc/94/32/54/1181943254.db2.gz PYRCPMSJKJPYHH-FGTMMUONSA-N 1 3 315.461 2.375 20 0 DEADHO CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001441321832 1181943258 /nfs/dbraw/zinc/94/32/58/1181943258.db2.gz PYRCPMSJKJPYHH-FGTMMUONSA-N 1 3 315.461 2.375 20 0 DEADHO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1)c1ccccc1 ZINC001441483955 1182017911 /nfs/dbraw/zinc/01/79/11/1182017911.db2.gz CKPIQBPIEJDKOJ-BHYGNILZSA-N 1 3 315.461 2.469 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc(C)c2)C1 ZINC001441524327 1182041971 /nfs/dbraw/zinc/04/19/71/1182041971.db2.gz XOIBPDZHQPXXFY-GASCZTMLSA-N 1 3 309.479 2.135 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]Cc2ccsc2)C[C@@H]1C ZINC001441839365 1182207384 /nfs/dbraw/zinc/20/73/84/1182207384.db2.gz QNIZKZNGCBASJP-DZGCQCFKSA-N 1 3 309.479 2.167 20 0 DEADHO Cc1cc(C[NH2+][C@H](C)CNC(=O)C2(N(C)C)CCC2)c(C)s1 ZINC001441844178 1182210653 /nfs/dbraw/zinc/21/06/53/1182210653.db2.gz RNYSSLHOGIHBDE-GFCCVEGCSA-N 1 3 323.506 2.444 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccccc2)C[C@@H]1C ZINC001441880715 1182231559 /nfs/dbraw/zinc/23/15/59/1182231559.db2.gz SXSFBUHPSLBKKJ-DOTOQJQBSA-N 1 3 303.450 2.107 20 0 DEADHO CC[NH2+]Cc1ccc(CNC(=O)CN(C)C2CCC2)c(F)c1 ZINC001442270460 1182397791 /nfs/dbraw/zinc/39/77/91/1182397791.db2.gz NDUVANPMTGPPGG-UHFFFAOYSA-N 1 3 307.413 2.036 20 0 DEADHO CCC[N@H+](C)CCC(=O)NC[C@H]1CCN(Cc2ccsc2)C1 ZINC001442908829 1182788556 /nfs/dbraw/zinc/78/85/56/1182788556.db2.gz QIHIKSVEICTFIT-OAHLLOKOSA-N 1 3 323.506 2.418 20 0 DEADHO CCC[N@@H+](C)CCC(=O)NC[C@H]1CCN(Cc2ccsc2)C1 ZINC001442908829 1182788564 /nfs/dbraw/zinc/78/85/64/1182788564.db2.gz QIHIKSVEICTFIT-OAHLLOKOSA-N 1 3 323.506 2.418 20 0 DEADHO CCC[N@H+](CCNC(=O)CN1[C@H](C)CC[C@H]1C)CC1CCC1 ZINC001442969018 1182814492 /nfs/dbraw/zinc/81/44/92/1182814492.db2.gz PMLILXXDBJAOPK-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@@H+](CCNC(=O)CN1[C@H](C)CC[C@H]1C)CC1CCC1 ZINC001442969018 1182814493 /nfs/dbraw/zinc/81/44/93/1182814493.db2.gz PMLILXXDBJAOPK-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1ccc(C)c(CN2CC(CNC(=O)CCC[NH+](C)C)C2)c1 ZINC001443620930 1183056512 /nfs/dbraw/zinc/05/65/12/1183056512.db2.gz GPECGGLTMWSGFS-UHFFFAOYSA-N 1 3 317.477 2.193 20 0 DEADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCCC1CCN(CCF)CC1 ZINC001444237724 1183321527 /nfs/dbraw/zinc/32/15/27/1183321527.db2.gz VRZGZILWNOLMPM-INIZCTEOSA-N 1 3 313.461 2.049 20 0 DEADHO C[N@H+]1CCC[C@H]1CCC(=O)NCCC1CCN(CCF)CC1 ZINC001444237724 1183321535 /nfs/dbraw/zinc/32/15/35/1183321535.db2.gz VRZGZILWNOLMPM-INIZCTEOSA-N 1 3 313.461 2.049 20 0 DEADHO CN(CC[N@H+](C)CCCC1CCCC1)C(=O)[C@H]1CCCN1C ZINC001445026342 1183720864 /nfs/dbraw/zinc/72/08/64/1183720864.db2.gz ISFULCSMWSYUHF-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CN(CC[N@@H+](C)CCCC1CCCC1)C(=O)[C@H]1CCCN1C ZINC001445026342 1183720866 /nfs/dbraw/zinc/72/08/66/1183720866.db2.gz ISFULCSMWSYUHF-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CCC1)C1CC1 ZINC001445946933 1184142912 /nfs/dbraw/zinc/14/29/12/1184142912.db2.gz DMPJYUFMTPDDFR-SJORKVTESA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CC1 ZINC001445978292 1184160264 /nfs/dbraw/zinc/16/02/64/1184160264.db2.gz JFEPRIYDSZEUGF-SJORKVTESA-N 1 3 309.498 2.390 20 0 DEADHO CCCN(C)CC(=O)NC[C@]1(C)CCC[N@H+](CC2CCC2)C1 ZINC001446679291 1184496809 /nfs/dbraw/zinc/49/68/09/1184496809.db2.gz CGPRLGFFYIWSLA-SFHVURJKSA-N 1 3 309.498 2.347 20 0 DEADHO CCCN(C)CC(=O)NC[C@]1(C)CCC[N@@H+](CC2CCC2)C1 ZINC001446679291 1184496816 /nfs/dbraw/zinc/49/68/16/1184496816.db2.gz CGPRLGFFYIWSLA-SFHVURJKSA-N 1 3 309.498 2.347 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C/C=C/Cl)C2 ZINC001446921614 1184578453 /nfs/dbraw/zinc/57/84/53/1184578453.db2.gz GZNUMDCKCOMWJE-KLJLBDGCSA-N 1 3 313.873 2.048 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C/C=C/Cl)C2 ZINC001446921614 1184578461 /nfs/dbraw/zinc/57/84/61/1184578461.db2.gz GZNUMDCKCOMWJE-KLJLBDGCSA-N 1 3 313.873 2.048 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001446940779 1184585299 /nfs/dbraw/zinc/58/52/99/1184585299.db2.gz KOYYOXMKQWHNAD-WBVHZDCISA-N 1 3 309.498 2.203 20 0 DEADHO CCC(CC)C[NH+]1CC([C@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001448305155 1185155189 /nfs/dbraw/zinc/15/51/89/1185155189.db2.gz MJHSUMCVGFQVOV-AWEZNQCLSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](NC(=O)CN(C)C1CCC1)C1C[NH+](CCC2CCCC2)C1 ZINC001448309592 1185157631 /nfs/dbraw/zinc/15/76/31/1185157631.db2.gz WEPYDOYEZQECDD-HNNXBMFYSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccc(F)cc1 ZINC001448729747 1185386326 /nfs/dbraw/zinc/38/63/26/1185386326.db2.gz UQMLNZZTWTVYBI-CABCVRRESA-N 1 3 321.440 2.104 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001449011749 1185484219 /nfs/dbraw/zinc/48/42/19/1185484219.db2.gz IBOPPFLJTXXJNZ-SJLPKXTDSA-N 1 3 317.477 2.414 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C1CC[NH+](CC(C)C)CC1 ZINC001449363464 1185677418 /nfs/dbraw/zinc/67/74/18/1185677418.db2.gz DMFHHEZEOCKOAR-ZDUSSCGKSA-N 1 3 306.454 2.133 20 0 DEADHO Cc1cc(C[NH2+]C[C@H](C)N(C)C(=O)C2(N(C)C)CCC2)cs1 ZINC001405830167 1164275512 /nfs/dbraw/zinc/27/55/12/1164275512.db2.gz NAMDDWIAGQKYDM-ZDUSSCGKSA-N 1 3 323.506 2.477 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCc2ccccc2)C1)N(C)C ZINC001330614967 1149212564 /nfs/dbraw/zinc/21/25/64/1149212564.db2.gz YCOHHZJEHIUTJC-KZNAEPCWSA-N 1 3 317.477 2.054 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C)ccc2F)C1)N(C)C ZINC001370525533 1149804847 /nfs/dbraw/zinc/80/48/47/1149804847.db2.gz SVTDWRIXYKRKDG-ZOBUZTSGSA-N 1 3 321.440 2.211 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1)N(C)C ZINC001370717156 1149829355 /nfs/dbraw/zinc/82/93/55/1149829355.db2.gz ZVIBBOJSDIHDJO-BBWFWOEESA-N 1 3 303.450 2.010 20 0 DEADHO CC(C)CCC[N@H+]1C[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001407574525 1165206685 /nfs/dbraw/zinc/20/66/85/1165206685.db2.gz YPUGWHMORWJPFZ-CALCHBBNSA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)CCC[N@@H+]1C[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001407574525 1165206693 /nfs/dbraw/zinc/20/66/93/1165206693.db2.gz YPUGWHMORWJPFZ-CALCHBBNSA-N 1 3 309.498 2.153 20 0 DEADHO CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001106666899 782841689 /nfs/dbraw/zinc/84/16/89/782841689.db2.gz ZBNYGRCLKTTWJC-AKBADGPISA-N 1 3 321.509 2.369 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CCCC(C)C)[C@H](C)C1 ZINC001106783459 782932915 /nfs/dbraw/zinc/93/29/15/782932915.db2.gz QFIAUEQHADTIHI-IAGOWNOFSA-N 1 3 311.514 2.449 20 0 DEADHO C[C@H](c1ccccc1)[N@@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001073016415 790385417 /nfs/dbraw/zinc/38/54/17/790385417.db2.gz YBHSBKYFKZBDKU-OAHLLOKOSA-N 1 3 324.428 2.248 20 0 DEADHO C[C@H](c1ccccc1)[N@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001073016415 790385426 /nfs/dbraw/zinc/38/54/26/790385426.db2.gz YBHSBKYFKZBDKU-OAHLLOKOSA-N 1 3 324.428 2.248 20 0 DEADHO CN1CCC[C@H](C[N@@H+]2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)C1 ZINC001208608423 776599794 /nfs/dbraw/zinc/59/97/94/776599794.db2.gz SKGOVJRWBDSCKX-YNEHKIRRSA-N 1 3 312.351 2.056 20 0 DEADHO CN1CCC[C@H](C[N@H+]2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)C1 ZINC001208608423 776599802 /nfs/dbraw/zinc/59/98/02/776599802.db2.gz SKGOVJRWBDSCKX-YNEHKIRRSA-N 1 3 312.351 2.056 20 0 DEADHO C[NH2+]Cc1cn(-c2ncnc3c2CCNC3)c2ccc(C)cc12 ZINC001167121098 776697303 /nfs/dbraw/zinc/69/73/03/776697303.db2.gz GQQFRLJYNPWIGX-UHFFFAOYSA-N 1 3 307.401 2.094 20 0 DEADHO CC[C@@H](C)C[NH2+]CC1(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001167232668 776786238 /nfs/dbraw/zinc/78/62/38/776786238.db2.gz LTFULZPHJSSTFE-HZPDHXFCSA-N 1 3 309.498 2.250 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC2(C[NH2+]CC3CCCC3)CC2)C1 ZINC001167232527 776786421 /nfs/dbraw/zinc/78/64/21/776786421.db2.gz GAMDGRMSDNSYED-MRXNPFEDSA-N 1 3 321.509 2.395 20 0 DEADHO CCN(CC)CC(=O)NCCC1(C[NH2+]CCCCCF)CC1 ZINC001167480909 777151524 /nfs/dbraw/zinc/15/15/24/777151524.db2.gz WVXUKVFYOLIDKF-UHFFFAOYSA-N 1 3 315.477 2.344 20 0 DEADHO C[C@H](C[NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1)CN(C)C ZINC000724104470 777241816 /nfs/dbraw/zinc/24/18/16/777241816.db2.gz RRESAFRMXTVISB-QLFBSQMISA-N 1 3 313.486 2.467 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CCC1)N(C)C ZINC001087214978 777355785 /nfs/dbraw/zinc/35/57/85/777355785.db2.gz YRMRHTZHGPWPHI-PVAVHDDUSA-N 1 3 309.498 2.343 20 0 DEADHO CC1(C)CC([NH3+])CC(C)(C)N1c1ccc2c(c1)COC21CNC1 ZINC001167626352 777404241 /nfs/dbraw/zinc/40/42/41/777404241.db2.gz HGIMRSAXJREPKC-UHFFFAOYSA-N 1 3 315.461 2.500 20 0 DEADHO CC1(C)CC([NH3+])CC(C)(C)N1c1ccc2c(n1)OCCNC2 ZINC001167625893 777404277 /nfs/dbraw/zinc/40/42/77/777404277.db2.gz RTTOZSLEXVOMOU-UHFFFAOYSA-N 1 3 304.438 2.048 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC2CC2)C1 ZINC001104676561 778015527 /nfs/dbraw/zinc/01/55/27/778015527.db2.gz PVLBLKWUASZUEA-JFIYKMOQSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1CC[NH2+]CC1CCC1 ZINC001104676616 778015946 /nfs/dbraw/zinc/01/59/46/778015946.db2.gz RMLBRSMMIYKCNR-SOLBZPMBSA-N 1 3 321.509 2.345 20 0 DEADHO CCC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001104682396 778020480 /nfs/dbraw/zinc/02/04/80/778020480.db2.gz OTYKZHYSXRRHBU-HZPDHXFCSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)CCC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104729179 778050463 /nfs/dbraw/zinc/05/04/63/778050463.db2.gz PTSUEKVBGQQVLQ-HZPDHXFCSA-N 1 3 320.481 2.463 20 0 DEADHO FC1(F)CO[C@H]2CN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C[C@H]21 ZINC001167986174 779165876 /nfs/dbraw/zinc/16/58/76/779165876.db2.gz AOGJFZMIKWGFBO-FVPDABNVSA-N 1 3 312.404 2.358 20 0 DEADHO FC1(F)CO[C@H]2CN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C[C@H]21 ZINC001167986174 779165880 /nfs/dbraw/zinc/16/58/80/779165880.db2.gz AOGJFZMIKWGFBO-FVPDABNVSA-N 1 3 312.404 2.358 20 0 DEADHO C[C@@H]1C[C@@H](NC[C@H]2COCCO2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168015181 779341752 /nfs/dbraw/zinc/34/17/52/779341752.db2.gz PJAUZTRDGQPCKX-NBMJBFSESA-N 1 3 318.461 2.433 20 0 DEADHO C[C@@H]1C[C@@H](NC[C@H]2COCCO2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168015181 779341756 /nfs/dbraw/zinc/34/17/56/779341756.db2.gz PJAUZTRDGQPCKX-NBMJBFSESA-N 1 3 318.461 2.433 20 0 DEADHO C[C@@H]1CC(n2[n-]c(=O)nc2C[NH3+])C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168018336 779379328 /nfs/dbraw/zinc/37/93/28/779379328.db2.gz CYOJLAGDIRXBFW-CHWSQXEVSA-N 1 3 315.421 2.057 20 0 DEADHO CCN(CC)CC(=O)N1CCC([C@@H]2[N@H+](CC)CC23CCC3)CC1 ZINC001105396929 779387193 /nfs/dbraw/zinc/38/71/93/779387193.db2.gz ZDFOODQJPYLHBU-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CCN(CC)CC(=O)N1CCC([C@@H]2[N@@H+](CC)CC23CCC3)CC1 ZINC001105396929 779387197 /nfs/dbraw/zinc/38/71/97/779387197.db2.gz ZDFOODQJPYLHBU-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCC([NH2+]CCc2ccccc2)CC1 ZINC001203442035 779437870 /nfs/dbraw/zinc/43/78/70/779437870.db2.gz CUGBYWMORLCIER-UHFFFAOYSA-N 1 3 317.477 2.152 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@@H]2C1 ZINC001088212864 779776021 /nfs/dbraw/zinc/77/60/21/779776021.db2.gz XGAGDFYHFYCJED-SQNIBIBYSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@@H]2C1 ZINC001088212864 779776024 /nfs/dbraw/zinc/77/60/24/779776024.db2.gz XGAGDFYHFYCJED-SQNIBIBYSA-N 1 3 321.509 2.441 20 0 DEADHO CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001105447583 780365811 /nfs/dbraw/zinc/36/58/11/780365811.db2.gz HDMCDMPHMGUBKV-IZAXUBKRSA-N 1 3 317.477 2.153 20 0 DEADHO CCN(CC)CC(=O)N1CCC(C(C)(C)C[NH2+]CCF)CC1 ZINC001101583122 780454284 /nfs/dbraw/zinc/45/42/84/780454284.db2.gz GQPMBVMXMMLPAN-UHFFFAOYSA-N 1 3 315.477 2.152 20 0 DEADHO CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H](CC)N(C)C)CCC1 ZINC001105566476 780771185 /nfs/dbraw/zinc/77/11/85/780771185.db2.gz NJAQVVVEJYJKIZ-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO c1cc(OC2COC2)ccc1C[NH2+]C1CCN(CC2CC2)CC1 ZINC001168357572 780921290 /nfs/dbraw/zinc/92/12/90/780921290.db2.gz HCHXMCGPJHHRDK-UHFFFAOYSA-N 1 3 316.445 2.428 20 0 DEADHO CC(=O)N1CCC2(C1)CCN(C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168378774 781747534 /nfs/dbraw/zinc/74/75/34/781747534.db2.gz UDHNVSZGEOJVKC-UHFFFAOYSA-N 1 3 319.493 2.195 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCF ZINC001085352584 783648442 /nfs/dbraw/zinc/64/84/42/783648442.db2.gz NXHSCEHFJGJHJE-OAGGEKHMSA-N 1 3 313.461 2.236 20 0 DEADHO CCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001085688355 783967707 /nfs/dbraw/zinc/96/77/07/783967707.db2.gz HZCUVHLHIWISQY-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001085688355 783967716 /nfs/dbraw/zinc/96/77/16/783967716.db2.gz HZCUVHLHIWISQY-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CN(C[C@@H]1CCN1CC1CC1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085875979 784165596 /nfs/dbraw/zinc/16/55/96/784165596.db2.gz NSGGPSKMAVBLOG-SFHVURJKSA-N 1 3 315.461 2.305 20 0 DEADHO C[C@H]1CC[N@H+](Cc2ccsc2)C[C@H]1NC(=O)CN1CCCC1 ZINC000968651691 784522431 /nfs/dbraw/zinc/52/24/31/784522431.db2.gz LVSGOECZRHKMAM-GOEBONIOSA-N 1 3 321.490 2.171 20 0 DEADHO C[C@H]1CC[N@@H+](Cc2ccsc2)C[C@H]1NC(=O)CN1CCCC1 ZINC000968651691 784522437 /nfs/dbraw/zinc/52/24/37/784522437.db2.gz LVSGOECZRHKMAM-GOEBONIOSA-N 1 3 321.490 2.171 20 0 DEADHO Cc1cc(CNCCNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)cs1 ZINC001129329661 784609154 /nfs/dbraw/zinc/60/91/54/784609154.db2.gz ZGXSDQMHQOIFPK-INIZCTEOSA-N 1 3 323.506 2.240 20 0 DEADHO Cc1cc(CNCCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)cs1 ZINC001129329661 784609160 /nfs/dbraw/zinc/60/91/60/784609160.db2.gz ZGXSDQMHQOIFPK-INIZCTEOSA-N 1 3 323.506 2.240 20 0 DEADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)c1ccccc1 ZINC000968904572 784644688 /nfs/dbraw/zinc/64/46/88/784644688.db2.gz VVHDAMSHHLDSKZ-DOTOQJQBSA-N 1 3 315.461 2.422 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C1)C1CC1 ZINC000968912880 784647551 /nfs/dbraw/zinc/64/75/51/784647551.db2.gz VTBDIZMHHQJZLS-QZTJIDSGSA-N 1 3 319.493 2.408 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CC2CCCCC2)C1)N(C)C ZINC000968990097 784683205 /nfs/dbraw/zinc/68/32/05/784683205.db2.gz RQCGIMPJISYBOK-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCN(CCCF)C1 ZINC001007500811 784937225 /nfs/dbraw/zinc/93/72/25/784937225.db2.gz VPZHGFSETREOTP-HZPDHXFCSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCN(CCCF)C1 ZINC001007500811 784937232 /nfs/dbraw/zinc/93/72/32/784937232.db2.gz VPZHGFSETREOTP-HZPDHXFCSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001007741583 784987811 /nfs/dbraw/zinc/98/78/11/784987811.db2.gz BZZSMNDOWYEVPU-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001007741583 784987816 /nfs/dbraw/zinc/98/78/16/784987816.db2.gz BZZSMNDOWYEVPU-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NCCC(=O)Nc1ccc(F)cc1)C2 ZINC001169099767 785034062 /nfs/dbraw/zinc/03/40/62/785034062.db2.gz VJRFAFTVCWIIJS-PHZGNYQRSA-N 1 3 305.397 2.369 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NCCC(=O)Nc1ccc(F)cc1)C2 ZINC001169099767 785034064 /nfs/dbraw/zinc/03/40/64/785034064.db2.gz VJRFAFTVCWIIJS-PHZGNYQRSA-N 1 3 305.397 2.369 20 0 DEADHO COC(=O)[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1 ZINC001169123963 785047862 /nfs/dbraw/zinc/04/78/62/785047862.db2.gz NYKNKOGQXBAGBQ-YYIAUSFCSA-N 1 3 302.418 2.158 20 0 DEADHO CN1CCOc2c1cnnc2N[C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169139792 785055378 /nfs/dbraw/zinc/05/53/78/785055378.db2.gz DJVXEHIGQYFUBJ-SJKOYZFVSA-N 1 3 319.453 2.261 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCCN(CCCF)C2)C1 ZINC001008277155 785159803 /nfs/dbraw/zinc/15/98/03/785159803.db2.gz MRJIOXFHGQQIIX-HOTGVXAUSA-N 1 3 313.461 2.049 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CCCN(CCCF)C2)C1 ZINC001008277155 785159804 /nfs/dbraw/zinc/15/98/04/785159804.db2.gz MRJIOXFHGQQIIX-HOTGVXAUSA-N 1 3 313.461 2.049 20 0 DEADHO CC(=O)N1CCC[C@@H](NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC001169589976 785250999 /nfs/dbraw/zinc/25/09/99/785250999.db2.gz WTUXVOLITRHXSN-GOSISDBHSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H](CCCC[NH2+]C/C=C/Cl)NC(=O)[C@@H](C1CC1)N(C)C ZINC001171248950 791126210 /nfs/dbraw/zinc/12/62/10/791126210.db2.gz ZGZSLUTVBJCHDU-HEESEWQSSA-N 1 3 315.889 2.344 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(C)C ZINC001109361538 785821657 /nfs/dbraw/zinc/82/16/57/785821657.db2.gz ZVUZCJSZTKZZLG-UGUYLWEFSA-N 1 3 313.461 2.044 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(C)C ZINC001109361538 785821671 /nfs/dbraw/zinc/82/16/71/785821671.db2.gz ZVUZCJSZTKZZLG-UGUYLWEFSA-N 1 3 313.461 2.044 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC2CC2)C1 ZINC001112568095 786160689 /nfs/dbraw/zinc/16/06/89/786160689.db2.gz XUNUFTBYYSEDBY-HKUYNNGSSA-N 1 3 321.509 2.347 20 0 DEADHO CCC(CC)CN1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001113679573 786757065 /nfs/dbraw/zinc/75/70/65/786757065.db2.gz ZIBRMUUQOHAJBL-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CC(C)(C(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1)N1CCCC1 ZINC001015506864 787085448 /nfs/dbraw/zinc/08/54/48/787085448.db2.gz ZKEDAPCZJHVTBU-INIZCTEOSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)(C(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1)N1CCCC1 ZINC001015506864 787085452 /nfs/dbraw/zinc/08/54/52/787085452.db2.gz ZKEDAPCZJHVTBU-INIZCTEOSA-N 1 3 321.509 2.488 20 0 DEADHO CCc1ccc(C[NH2+]CCNC(=O)C(C)(C)N(C)CC)cc1 ZINC001130427649 787388718 /nfs/dbraw/zinc/38/87/18/787388718.db2.gz QDAVAMWISCIGMI-UHFFFAOYSA-N 1 3 305.466 2.185 20 0 DEADHO C[C@@H](Nc1ccc(SC2CC[NH2+]CC2)cc1)[C@H]1CNCCO1 ZINC001170574354 787662565 /nfs/dbraw/zinc/66/25/65/787662565.db2.gz NDWJKLRWBHOMCG-CXAGYDPISA-N 1 3 321.490 2.320 20 0 DEADHO CC(C)C1=[NH+]CCc2ccc(N[C@@H](C)[C@H]3CNCCO3)cc21 ZINC001170574651 787665203 /nfs/dbraw/zinc/66/52/03/787665203.db2.gz NGVZOVDFXVZLFY-SUMWQHHRSA-N 1 3 301.434 2.477 20 0 DEADHO CC[C@H](F)CNCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001131815408 787756363 /nfs/dbraw/zinc/75/63/63/787756363.db2.gz BQWLOEOYBUPDQK-AWEZNQCLSA-N 1 3 301.450 2.095 20 0 DEADHO CC[C@H](F)CNCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001131815408 787756368 /nfs/dbraw/zinc/75/63/68/787756368.db2.gz BQWLOEOYBUPDQK-AWEZNQCLSA-N 1 3 301.450 2.095 20 0 DEADHO CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001097972341 788302568 /nfs/dbraw/zinc/30/25/68/788302568.db2.gz TYQDMSZQKMDNMR-VQHPVUNQSA-N 1 3 307.482 2.382 20 0 DEADHO CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001097972341 788302576 /nfs/dbraw/zinc/30/25/76/788302576.db2.gz TYQDMSZQKMDNMR-VQHPVUNQSA-N 1 3 307.482 2.382 20 0 DEADHO CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)Cc1c[nH]cn1 ZINC001133405513 788402763 /nfs/dbraw/zinc/40/27/63/788402763.db2.gz BHMUEJSAVZREBS-UHFFFAOYSA-N 1 3 320.824 2.244 20 0 DEADHO CC[C@@H]([NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C)c1ccccc1 ZINC001133434461 788428882 /nfs/dbraw/zinc/42/88/82/788428882.db2.gz SAVNSASHAAZCMM-IAGOWNOFSA-N 1 3 305.466 2.430 20 0 DEADHO Cc1cc(C[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C)c(C)s1 ZINC001133434641 788429831 /nfs/dbraw/zinc/42/98/31/788429831.db2.gz WSQXJVQBGPONBS-OAHLLOKOSA-N 1 3 311.495 2.157 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+][C@@H]1CCCc2ccccc21 ZINC001133823430 788619536 /nfs/dbraw/zinc/61/95/36/788619536.db2.gz GGKUUASKZKIYSI-CRAIPNDOSA-N 1 3 315.461 2.254 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+][C@@H]1CCc2c1cccc2F ZINC001133833656 788627305 /nfs/dbraw/zinc/62/73/05/788627305.db2.gz BMYARXJZOHJEBQ-CXAGYDPISA-N 1 3 319.424 2.003 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001133834071 788628954 /nfs/dbraw/zinc/62/89/54/788628954.db2.gz NCPPSNHCDHJQAX-DYVFJYSZSA-N 1 3 319.424 2.003 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)CN1CC[C@@H](C)C1 ZINC001133845362 788638640 /nfs/dbraw/zinc/63/86/40/788638640.db2.gz CMNBCDKLGWPSRA-GDBMZVCRSA-N 1 3 303.450 2.104 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001133849978 788641183 /nfs/dbraw/zinc/64/11/83/788641183.db2.gz IPXXFQBPRXVAKX-MAUKXSAKSA-N 1 3 315.461 2.112 20 0 DEADHO CC1(C)CCN(CC(=O)NCC[NH2+]CCCc2ccsc2)C1 ZINC001133896658 788663619 /nfs/dbraw/zinc/66/36/19/788663619.db2.gz NCIBKGFXKIJQOW-UHFFFAOYSA-N 1 3 323.506 2.118 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+]Cc1ccc(Cl)cc1C)N(C)C ZINC001133982687 788704965 /nfs/dbraw/zinc/70/49/65/788704965.db2.gz HYFZKLUUTCBMCB-HNNXBMFYSA-N 1 3 311.857 2.194 20 0 DEADHO O=C(NCCNCc1cccc(F)c1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135095533 789195609 /nfs/dbraw/zinc/19/56/09/789195609.db2.gz KBSCAYHPMSXESX-IAGOWNOFSA-N 1 3 319.424 2.048 20 0 DEADHO O=C(NCCNCc1cccc(F)c1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135095533 789195616 /nfs/dbraw/zinc/19/56/16/789195616.db2.gz KBSCAYHPMSXESX-IAGOWNOFSA-N 1 3 319.424 2.048 20 0 DEADHO CC[NH+](CC)[C@H](C(=O)NCCNCc1ccsc1)C(C)C ZINC001135474088 789358499 /nfs/dbraw/zinc/35/84/99/789358499.db2.gz GQCHOCFIMNRVCU-HNNXBMFYSA-N 1 3 311.495 2.320 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)NCc1oc(C)nc1C ZINC001135861616 789536256 /nfs/dbraw/zinc/53/62/56/789536256.db2.gz UROGRAAJKVEICQ-QWHCGFSZSA-N 1 3 324.469 2.006 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)NCc1oc(C)nc1C ZINC001135861616 789536265 /nfs/dbraw/zinc/53/62/65/789536265.db2.gz UROGRAAJKVEICQ-QWHCGFSZSA-N 1 3 324.469 2.006 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCc1ccccc1 ZINC001135980708 789582094 /nfs/dbraw/zinc/58/20/94/789582094.db2.gz RQXPHXDIHPUYKF-IRXDYDNUSA-N 1 3 319.493 2.444 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1 ZINC001136031844 789600986 /nfs/dbraw/zinc/60/09/86/789600986.db2.gz RECFQBKVNXIEND-UONOGXRCSA-N 1 3 314.433 2.334 20 0 DEADHO CC(C)=CCN1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001071796928 789923069 /nfs/dbraw/zinc/92/30/69/789923069.db2.gz ZPXVUYLOOKSIDZ-NVXWUHKLSA-N 1 3 307.482 2.264 20 0 DEADHO CC1CC(C[N@@H+]2CCC3(CN(C(=O)C4(N(C)C)CCC4)C3)C2)C1 ZINC001072812131 790256850 /nfs/dbraw/zinc/25/68/50/790256850.db2.gz STROSOLOFHMVNM-UHFFFAOYSA-N 1 3 319.493 2.051 20 0 DEADHO CC1CC(C[N@H+]2CCC3(CN(C(=O)C4(N(C)C)CCC4)C3)C2)C1 ZINC001072812131 790256853 /nfs/dbraw/zinc/25/68/53/790256853.db2.gz STROSOLOFHMVNM-UHFFFAOYSA-N 1 3 319.493 2.051 20 0 DEADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCN3C)[C@H]2C)cs1 ZINC001074565096 791234017 /nfs/dbraw/zinc/23/40/17/791234017.db2.gz SQXARTGAKHSZRD-BPUTZDHNSA-N 1 3 321.490 2.230 20 0 DEADHO Cc1cncc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001146590866 791317299 /nfs/dbraw/zinc/31/72/99/791317299.db2.gz CMPIOHNHBLZYDW-JKSUJKDBSA-N 1 3 320.481 2.103 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001146593078 791317742 /nfs/dbraw/zinc/31/77/42/791317742.db2.gz NRMLJLYEZSDVCT-STQMWFEESA-N 1 3 319.440 2.245 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCCCF ZINC001146590966 791318626 /nfs/dbraw/zinc/31/86/26/791318626.db2.gz FFTQHVGLNGNFTL-LSDHHAIUSA-N 1 3 303.466 2.339 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCC3CCCC3)[C@@H]2C)C1 ZINC001074878147 791364507 /nfs/dbraw/zinc/36/45/07/791364507.db2.gz CJIXUZRFPWZQOI-BQFCYCMXSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]([NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C)c1ccccc1 ZINC001074918300 791387269 /nfs/dbraw/zinc/38/72/69/791387269.db2.gz ADGBBSRWTVLQNP-ZQIUZPCESA-N 1 3 312.417 2.292 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1C[NH2+]CC1CCC1 ZINC001075289957 791562290 /nfs/dbraw/zinc/56/22/90/791562290.db2.gz DYHAPESTYMWYSF-WBVHZDCISA-N 1 3 321.509 2.345 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCNCc2cccc(F)c2)C1 ZINC001147822814 791631567 /nfs/dbraw/zinc/63/15/67/791631567.db2.gz AYLUCGUKPQCHBB-NVXWUHKLSA-N 1 3 321.440 2.152 20 0 DEADHO CC/C=C/CC[N@@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001148292769 791730713 /nfs/dbraw/zinc/73/07/13/791730713.db2.gz SNTFTLICZZCHDQ-BDUNBXCCSA-N 1 3 319.493 2.219 20 0 DEADHO CC/C=C/CC[N@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001148292769 791730719 /nfs/dbraw/zinc/73/07/19/791730719.db2.gz SNTFTLICZZCHDQ-BDUNBXCCSA-N 1 3 319.493 2.219 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC2(C1)CC[N@H+](CCC)C2 ZINC001148458302 791749951 /nfs/dbraw/zinc/74/99/51/791749951.db2.gz MOUQOUCTDAIHOP-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](CCC)C2 ZINC001148458302 791749956 /nfs/dbraw/zinc/74/99/56/791749956.db2.gz MOUQOUCTDAIHOP-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CC(C)=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001091758993 791813934 /nfs/dbraw/zinc/81/39/34/791813934.db2.gz VCPIKNGSVHOYOE-AOIWGVFYSA-N 1 3 321.509 2.319 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001091758993 791813936 /nfs/dbraw/zinc/81/39/36/791813936.db2.gz VCPIKNGSVHOYOE-AOIWGVFYSA-N 1 3 321.509 2.319 20 0 DEADHO CC[C@H](C(=O)N1CC2(C[C@@H]1C)CC[NH+](C(C)C)CC2)N(C)C ZINC001086929455 791859376 /nfs/dbraw/zinc/85/93/76/791859376.db2.gz INUZZTGUUSSSGJ-JKSUJKDBSA-N 1 3 309.498 2.438 20 0 DEADHO CC[C@H](C(=O)N1C[C@H]2C[N@H+](CC3CCCC3)C[C@@]2(C)C1)N(C)C ZINC001091780585 791886690 /nfs/dbraw/zinc/88/66/90/791886690.db2.gz RFNCPWVEFHLRJM-LMMKCTJWSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CC3CCCC3)C[C@@]2(C)C1)N(C)C ZINC001091780585 791886695 /nfs/dbraw/zinc/88/66/95/791886695.db2.gz RFNCPWVEFHLRJM-LMMKCTJWSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CCC3CC3)C[C@@]2(C)C1)N(C)C ZINC001091985147 791913668 /nfs/dbraw/zinc/91/36/68/791913668.db2.gz JDUMXCCPEAVWJY-LMMKCTJWSA-N 1 3 321.509 2.153 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CCC3CC3)C[C@@]2(C)C1)N(C)C ZINC001091985147 791913670 /nfs/dbraw/zinc/91/36/70/791913670.db2.gz JDUMXCCPEAVWJY-LMMKCTJWSA-N 1 3 321.509 2.153 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C(C)C)C1 ZINC001099442897 792208592 /nfs/dbraw/zinc/20/85/92/792208592.db2.gz AUSLZMVHUXZXDV-SCTDSRPQSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(N(C)C)CCC1)C2 ZINC001099446700 792209674 /nfs/dbraw/zinc/20/96/74/792209674.db2.gz RWNGKUVZKFCHLL-RDJZCZTQSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)CCC[NH2+]C1CC(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001100405822 792632492 /nfs/dbraw/zinc/63/24/92/792632492.db2.gz OCODFGOUMMGTQE-UHFFFAOYSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)CC[NH2+]C1CC(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001100563513 792722533 /nfs/dbraw/zinc/72/25/33/792722533.db2.gz LAGVWCRJPSHUBA-UHFFFAOYSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)[C@H](C(=O)NCC1CC([NH2+]CC2CCCC2)C1)N(C)C ZINC001100647340 792767221 /nfs/dbraw/zinc/76/72/21/792767221.db2.gz PCIBAPLZVSNYIG-OFLPRAFFSA-N 1 3 309.498 2.247 20 0 DEADHO CC[C@@H](C(=O)NCC1CC([NH2+]CCc2ccccc2)C1)N(C)C ZINC001100683490 792786952 /nfs/dbraw/zinc/78/69/52/792786952.db2.gz DQTGCHCMFQUNRS-ABHNRTSZSA-N 1 3 317.477 2.054 20 0 DEADHO CCN(CC)CC(=O)NCC1CC([NH2+]Cc2ccsc2)C1 ZINC001100770339 792834839 /nfs/dbraw/zinc/83/48/39/792834839.db2.gz BWYJSRDQBMVWLF-UHFFFAOYSA-N 1 3 309.479 2.074 20 0 DEADHO C[NH+]1C(C)(C)CC(N2CCN(C3CCOCC3)CC2)CC1(C)C ZINC001171636857 793171496 /nfs/dbraw/zinc/17/14/96/793171496.db2.gz IKPVNRXNPCZPPI-UHFFFAOYSA-N 1 3 323.525 2.434 20 0 DEADHO CN1C(C)(C)CC([NH+]2CCC3(COC(=O)N3)CC2)CC1(C)C ZINC001171642860 793173854 /nfs/dbraw/zinc/17/38/54/793173854.db2.gz NZRYFVRHBUKPQP-UHFFFAOYSA-N 1 3 309.454 2.212 20 0 DEADHO N[C@@H]1CCC[N@@H+]([C@@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001171869608 793236983 /nfs/dbraw/zinc/23/69/83/793236983.db2.gz MWNDCWUTXGIKRO-IAGOWNOFSA-N 1 3 301.434 2.104 20 0 DEADHO N[C@@H]1CCC[N@H+]([C@@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001171869608 793236988 /nfs/dbraw/zinc/23/69/88/793236988.db2.gz MWNDCWUTXGIKRO-IAGOWNOFSA-N 1 3 301.434 2.104 20 0 DEADHO O=C1C[C@@H]([N@@H+]2CCCC[C@H]2CCN2CCCC2)CCN1C1CC1 ZINC001172023860 793294397 /nfs/dbraw/zinc/29/43/97/793294397.db2.gz YKLTZFYLTFLBJG-WMZOPIPTSA-N 1 3 319.493 2.480 20 0 DEADHO O=C1C[C@@H]([N@H+]2CCCC[C@H]2CCN2CCCC2)CCN1C1CC1 ZINC001172023860 793294402 /nfs/dbraw/zinc/29/44/02/793294402.db2.gz YKLTZFYLTFLBJG-WMZOPIPTSA-N 1 3 319.493 2.480 20 0 DEADHO CC[C@](N)(CO)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172077650 793311439 /nfs/dbraw/zinc/31/14/39/793311439.db2.gz UVRNJNTZGGSHTB-FCGDIQPGSA-N 1 3 317.477 2.219 20 0 DEADHO CC[C@](N)(CO)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077650 793311446 /nfs/dbraw/zinc/31/14/46/793311446.db2.gz UVRNJNTZGGSHTB-FCGDIQPGSA-N 1 3 317.477 2.219 20 0 DEADHO COc1ccc([C@H](CO)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC001172106985 793330080 /nfs/dbraw/zinc/33/00/80/793330080.db2.gz RHBZBIZQLDXIGT-DFGXFYAUSA-N 1 3 304.434 2.334 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCNC(=O)c1cccs1)C2 ZINC001172109129 793332095 /nfs/dbraw/zinc/33/20/95/793332095.db2.gz GWHXTNYYXQUGTB-BTTYYORXSA-N 1 3 307.463 2.083 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCNC(=O)c1cccs1)C2 ZINC001172109129 793332104 /nfs/dbraw/zinc/33/21/04/793332104.db2.gz GWHXTNYYXQUGTB-BTTYYORXSA-N 1 3 307.463 2.083 20 0 DEADHO C[C@H](CN)C[N@H+](Cc1ccccc1)[C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172153582 793350528 /nfs/dbraw/zinc/35/05/28/793350528.db2.gz DGKBJBLESIEPKD-BPQIPLTHSA-N 1 3 315.461 2.237 20 0 DEADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172153582 793350537 /nfs/dbraw/zinc/35/05/37/793350537.db2.gz DGKBJBLESIEPKD-BPQIPLTHSA-N 1 3 315.461 2.237 20 0 DEADHO C[C@H](C[NH3+])CN(Cc1ccccc1)[C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172153582 793350547 /nfs/dbraw/zinc/35/05/47/793350547.db2.gz DGKBJBLESIEPKD-BPQIPLTHSA-N 1 3 315.461 2.237 20 0 DEADHO COCCC[NH+]1CCC(NCC2(c3ccc(F)cn3)CC2)CC1 ZINC001172248853 793388006 /nfs/dbraw/zinc/38/80/06/793388006.db2.gz QQMKFDWCJZOUAU-UHFFFAOYSA-N 1 3 321.440 2.343 20 0 DEADHO COCCCN1CCC([NH2+][C@H]2COCc3ccccc32)CC1 ZINC001172247295 793388319 /nfs/dbraw/zinc/38/83/19/793388319.db2.gz GIRVGTGZVPSXTA-SFHVURJKSA-N 1 3 304.434 2.348 20 0 DEADHO CC(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)CC1)C2 ZINC001095026131 793592206 /nfs/dbraw/zinc/59/22/06/793592206.db2.gz ZHPLKXLCTBQVLW-BZSNNMDCSA-N 1 3 321.509 2.343 20 0 DEADHO CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CN(CCF)C[C@H]1C)C(C)C ZINC001102471965 793625586 /nfs/dbraw/zinc/62/55/86/793625586.db2.gz ADNUKPKZDSCAPU-BZUAXINKSA-N 1 3 315.477 2.006 20 0 DEADHO CCc1ccc(C[C@H](C)N2CCN(CC[NH+](C)C)CC2)cc1 ZINC001173253607 793650266 /nfs/dbraw/zinc/65/02/66/793650266.db2.gz VNKVWIFBEAGVKX-KRWDZBQOSA-N 1 3 303.494 2.359 20 0 DEADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+](CC[C@@H](C)F)C[C@H]1C ZINC001103550295 794140438 /nfs/dbraw/zinc/14/04/38/794140438.db2.gz JEZAWBJDTJFPLT-BZUAXINKSA-N 1 3 315.477 2.151 20 0 DEADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+](CC[C@@H](C)F)C[C@H]1C ZINC001103550295 794140444 /nfs/dbraw/zinc/14/04/44/794140444.db2.gz JEZAWBJDTJFPLT-BZUAXINKSA-N 1 3 315.477 2.151 20 0 DEADHO C[C@H](CCCC[NH2+]CCCF)NC(=O)CN1CCC[C@H]1C ZINC001175257203 794172063 /nfs/dbraw/zinc/17/20/63/794172063.db2.gz WRCNLWARSOABJA-HUUCEWRRSA-N 1 3 301.450 2.095 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)CCCC[NH2+]CCOC(C)C ZINC001175786151 794288578 /nfs/dbraw/zinc/28/85/78/794288578.db2.gz HGHINWUKXOWWBQ-MRXNPFEDSA-N 1 3 315.502 2.018 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]CC[C@@H](C)F ZINC001176284458 794389260 /nfs/dbraw/zinc/38/92/60/794389260.db2.gz IAHSIEFDGUCHIG-CABCVRRESA-N 1 3 303.466 2.341 20 0 DEADHO CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001176350924 794411571 /nfs/dbraw/zinc/41/15/71/794411571.db2.gz NEVIRIFHAQREOU-AWEZNQCLSA-N 1 3 306.454 2.491 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCCC[NH2+]CC2CCC2)c1 ZINC001176890095 794523318 /nfs/dbraw/zinc/52/33/18/794523318.db2.gz MODXYINKOYSXQV-UHFFFAOYSA-N 1 3 303.450 2.258 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1 ZINC001176986287 794546679 /nfs/dbraw/zinc/54/66/79/794546679.db2.gz JOYRGJWBWGEWQO-KRWDZBQOSA-N 1 3 303.450 2.157 20 0 DEADHO CCc1ccccc1C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176980474 794547068 /nfs/dbraw/zinc/54/70/68/794547068.db2.gz HYLNIKLMHRMEHJ-UHFFFAOYSA-N 1 3 305.466 2.185 20 0 DEADHO CCN(CC)CC(=O)NCC1([NH2+]CC[C@@H](C)F)CCCCC1 ZINC001115777337 794916775 /nfs/dbraw/zinc/91/67/75/794916775.db2.gz SQLWZNKWSVHUGP-OAHLLOKOSA-N 1 3 315.477 2.485 20 0 DEADHO CN(C)[C@H](C(=O)NCCCCCC[NH2+]CCC1CC1)C1CC1 ZINC001178698608 794980520 /nfs/dbraw/zinc/98/05/20/794980520.db2.gz NUSHHXQJQPNCRP-KRWDZBQOSA-N 1 3 309.498 2.393 20 0 DEADHO CC[C@@H](F)C[NH2+]CCCCCCNC(=O)[C@@H](CC)N(C)C ZINC001178815679 795013013 /nfs/dbraw/zinc/01/30/13/795013013.db2.gz JVAYRYUFRZSVEF-HUUCEWRRSA-N 1 3 303.466 2.341 20 0 DEADHO CCCCC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H]1C ZINC001179546233 795135564 /nfs/dbraw/zinc/13/55/64/795135564.db2.gz HBLNOJZKNZFFST-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)NCCCCCC[NH2+]Cc1conc1C)N(C)C ZINC001179609023 795142904 /nfs/dbraw/zinc/14/29/04/795142904.db2.gz CADYSDVNXLJYGD-INIZCTEOSA-N 1 3 324.469 2.089 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC001179779222 795169927 /nfs/dbraw/zinc/16/99/27/795169927.db2.gz FYKDHVIQJMGMHT-XHSDSOJGSA-N 1 3 313.461 2.045 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(F)c2)[C@@H]1C ZINC001179982732 795214126 /nfs/dbraw/zinc/21/41/26/795214126.db2.gz DUKSRNQEQQEBMW-YOEHRIQHSA-N 1 3 321.440 2.247 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@H]2CN(CN3CC4(CCCC4)OC3=O)C[C@@H]2C1 ZINC001120255944 795430814 /nfs/dbraw/zinc/43/08/14/795430814.db2.gz PFTIDOUIUKKRCA-HRCADAONSA-N 1 3 321.465 2.371 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CC)C1 ZINC001120402967 795453221 /nfs/dbraw/zinc/45/32/21/795453221.db2.gz UAPGQZDPXACHND-CVEARBPZSA-N 1 3 309.498 2.440 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CC)C1 ZINC001120402967 795453223 /nfs/dbraw/zinc/45/32/23/795453223.db2.gz UAPGQZDPXACHND-CVEARBPZSA-N 1 3 309.498 2.440 20 0 DEADHO CN(C)C1(C(=O)NC2CC3(C2)CC([NH2+]CCC2CC2)C3)CCC1 ZINC001121238106 795606947 /nfs/dbraw/zinc/60/69/47/795606947.db2.gz HXCIGYCIYCXGTO-UHFFFAOYSA-N 1 3 319.493 2.288 20 0 DEADHO CC[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CCC1CC1)C2)N(C)C ZINC001121799011 795688893 /nfs/dbraw/zinc/68/88/93/795688893.db2.gz XBDKYJJGCFRGBD-HVEGKCCWSA-N 1 3 307.482 2.144 20 0 DEADHO CC[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CC1CC(C)C1)C2)N(C)C ZINC001121798392 795689345 /nfs/dbraw/zinc/68/93/45/795689345.db2.gz LXFDZUMDNASTIV-MGMWPHTOSA-N 1 3 321.509 2.390 20 0 DEADHO C[NH2+]CCCCC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC001121991655 795714139 /nfs/dbraw/zinc/71/41/39/795714139.db2.gz XGNPGPNQEZVVTF-QGZVFWFLSA-N 1 3 303.450 2.329 20 0 DEADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@]1(C)C[NH2+]CCCCCF ZINC001182741486 795747079 /nfs/dbraw/zinc/74/70/79/795747079.db2.gz NQLSGPOMBPSZSI-RHSMWYFYSA-N 1 3 324.444 2.166 20 0 DEADHO CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C)N2CCCCCC2)C[C@H]1C ZINC001182807833 795758836 /nfs/dbraw/zinc/75/88/36/795758836.db2.gz YBDOJSDXLLKWSK-SOLBZPMBSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C[C@@H](C)CC)C1 ZINC001183228861 795828259 /nfs/dbraw/zinc/82/82/59/795828259.db2.gz XSSQUQJNNAOPKD-LZLYRXPVSA-N 1 3 311.514 2.449 20 0 DEADHO CC[NH2+]C[C@]1(C)CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001183509803 795883406 /nfs/dbraw/zinc/88/34/06/795883406.db2.gz OQLUODPXTLFYCY-DNVCBOLYSA-N 1 3 317.477 2.456 20 0 DEADHO C[NH+]1CCC(CN2CCN(Cc3cccc(Cl)n3)CC2)CC1 ZINC001139552874 796394410 /nfs/dbraw/zinc/39/44/10/796394410.db2.gz YRRGGFFGOWKDJV-UHFFFAOYSA-N 1 3 322.884 2.194 20 0 DEADHO COC(=O)c1cccc2[nH]cc(CN(C)C3CC[NH+](C)CC3)c21 ZINC001139716853 796414376 /nfs/dbraw/zinc/41/43/76/796414376.db2.gz IZQZFBRJOQRKAX-UHFFFAOYSA-N 1 3 315.417 2.481 20 0 DEADHO CCN1C[C@@H]2C[NH+](Cc3ccccc3-c3cnc(N)nc3)C[C@H]2C1 ZINC001140328243 796508660 /nfs/dbraw/zinc/50/86/60/796508660.db2.gz YOKRKECMNIZRLR-IAGOWNOFSA-N 1 3 323.444 2.109 20 0 DEADHO CCCC[NH2+][C@@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203028109 796515111 /nfs/dbraw/zinc/51/51/11/796515111.db2.gz KXVUVNSQLSUVOK-CABCVRRESA-N 1 3 307.482 2.288 20 0 DEADHO CC1CCN(CC(=O)N2CCC([NH2+]C/C=C\Cl)CC2)CC1 ZINC001203047122 796539613 /nfs/dbraw/zinc/53/96/13/796539613.db2.gz ULWKKKVENQJHTR-UQCOIBPSSA-N 1 3 313.873 2.051 20 0 DEADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001187835430 796586195 /nfs/dbraw/zinc/58/61/95/796586195.db2.gz XRPUQDLGMYMBCJ-QGZVFWFLSA-N 1 3 307.482 2.243 20 0 DEADHO CC[C@@H](F)C[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001188084947 796625544 /nfs/dbraw/zinc/62/55/44/796625544.db2.gz KXEPEXMQKPQFRU-IAGOWNOFSA-N 1 3 321.440 2.300 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]Cc1csc(C)c1 ZINC001152458205 797191124 /nfs/dbraw/zinc/19/11/24/797191124.db2.gz MWSCLRTUBQYNDM-HNNXBMFYSA-N 1 3 309.479 2.137 20 0 DEADHO CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001192190302 797334394 /nfs/dbraw/zinc/33/43/94/797334394.db2.gz MHAWUEVZLIDPDC-MGSINWNPSA-N 1 3 309.498 2.462 20 0 DEADHO CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001192190302 797334402 /nfs/dbraw/zinc/33/44/02/797334402.db2.gz MHAWUEVZLIDPDC-MGSINWNPSA-N 1 3 309.498 2.462 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([N@H+](C)CCC(C)(C)C)C2)C1 ZINC001192355648 797371808 /nfs/dbraw/zinc/37/18/08/797371808.db2.gz RXZBHXOHTAFKDR-CVEARBPZSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CCC(C)(C)C)C2)C1 ZINC001192355648 797371814 /nfs/dbraw/zinc/37/18/14/797371814.db2.gz RXZBHXOHTAFKDR-CVEARBPZSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+](CCCCCF)[C@H](C)CNC(=O)CN1CCC[C@H]1C ZINC001155227119 797712536 /nfs/dbraw/zinc/71/25/36/797712536.db2.gz UVZZZDQLEBGENE-HZPDHXFCSA-N 1 3 315.477 2.437 20 0 DEADHO CC[N@@H+](CCCCCF)[C@H](C)CNC(=O)CN1CCC[C@H]1C ZINC001155227119 797712539 /nfs/dbraw/zinc/71/25/39/797712539.db2.gz UVZZZDQLEBGENE-HZPDHXFCSA-N 1 3 315.477 2.437 20 0 DEADHO CC[N@H+](CC1CC1)[C@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001155621850 797807721 /nfs/dbraw/zinc/80/77/21/797807721.db2.gz QIVNSPATAOHLQF-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO CC[N@@H+](CC1CC1)[C@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001155621850 797807731 /nfs/dbraw/zinc/80/77/31/797807731.db2.gz QIVNSPATAOHLQF-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO CCN(Cc1cccc(F)c1)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156194802 797945119 /nfs/dbraw/zinc/94/51/19/797945119.db2.gz WPJHMKWCRDZXGQ-OAHLLOKOSA-N 1 3 323.456 2.494 20 0 DEADHO CCN(Cc1cccc(F)c1)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156194802 797945122 /nfs/dbraw/zinc/94/51/22/797945122.db2.gz WPJHMKWCRDZXGQ-OAHLLOKOSA-N 1 3 323.456 2.494 20 0 DEADHO CCN(C)[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CCF)c1ccccc1 ZINC001156318549 797973504 /nfs/dbraw/zinc/97/35/04/797973504.db2.gz DQACRIKQXGNPFQ-NVXWUHKLSA-N 1 3 323.456 2.476 20 0 DEADHO CCN(C)[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCF)c1ccccc1 ZINC001156318549 797973511 /nfs/dbraw/zinc/97/35/11/797973511.db2.gz DQACRIKQXGNPFQ-NVXWUHKLSA-N 1 3 323.456 2.476 20 0 DEADHO CCCCC[N@@H+]1CCCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001196011093 797993071 /nfs/dbraw/zinc/99/30/71/797993071.db2.gz YGPCZGKSCZUJHF-MRXNPFEDSA-N 1 3 315.477 2.391 20 0 DEADHO CCCCC[N@H+]1CCCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001196011093 797993072 /nfs/dbraw/zinc/99/30/72/797993072.db2.gz YGPCZGKSCZUJHF-MRXNPFEDSA-N 1 3 315.477 2.391 20 0 DEADHO CCC/C=C/CCN1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001197823584 798249666 /nfs/dbraw/zinc/24/96/66/798249666.db2.gz CYRQNLWXASCKPA-SNAWJCMRSA-N 1 3 319.493 2.363 20 0 DEADHO C[C@@H]1CCN(C(=O)[C@H](N)Cc2ccc(C(C)(C)C)cc2)C[C@@H]1[NH3+] ZINC001157803765 798282416 /nfs/dbraw/zinc/28/24/16/798282416.db2.gz JJRQSCOGTRAOMP-XYPHTWIQSA-N 1 3 317.477 2.050 20 0 DEADHO N[C@@H]1CC[N@@H+](C2CCN(c3ccc4ccc(F)cc4n3)CC2)C1 ZINC001158268782 798371741 /nfs/dbraw/zinc/37/17/41/798371741.db2.gz MDFZLBXSVIJHIY-OAHLLOKOSA-N 1 3 314.408 2.376 20 0 DEADHO N[C@@H]1CC[N@H+](C2CCN(c3ccc4ccc(F)cc4n3)CC2)C1 ZINC001158268782 798371745 /nfs/dbraw/zinc/37/17/45/798371745.db2.gz MDFZLBXSVIJHIY-OAHLLOKOSA-N 1 3 314.408 2.376 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@H](NC(C)C)c1ccccc1OC ZINC001198954021 798420171 /nfs/dbraw/zinc/42/01/71/798420171.db2.gz ZKPHYJWGVKZZLL-INIZCTEOSA-N 1 3 321.465 2.192 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@H](NC(C)C)c1ccccc1OC ZINC001198954021 798420172 /nfs/dbraw/zinc/42/01/72/798420172.db2.gz ZKPHYJWGVKZZLL-INIZCTEOSA-N 1 3 321.465 2.192 20 0 DEADHO CSc1cccnc1N(C1CC[NH2+]CC1)C1CCN(C)CC1 ZINC001158581383 798433177 /nfs/dbraw/zinc/43/31/77/798433177.db2.gz QKWOVQGVYQJILS-UHFFFAOYSA-N 1 3 320.506 2.456 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001203925501 798439413 /nfs/dbraw/zinc/43/94/13/798439413.db2.gz QFXVJWVKHLXXQV-ZACQAIPSSA-N 1 3 321.509 2.343 20 0 DEADHO [NH3+]C1CCN(c2cccc(NCc3nccc(Cl)n3)n2)CC1 ZINC001159479340 798569429 /nfs/dbraw/zinc/56/94/29/798569429.db2.gz PZSQDVGSGODFLL-UHFFFAOYSA-N 1 3 318.812 2.065 20 0 DEADHO Cc1cccc(C[NH2+]CCCNC(=O)C2(N(C)C)CCC2)c1 ZINC001159846185 798617696 /nfs/dbraw/zinc/61/76/96/798617696.db2.gz LIBQYZUZBVOCBR-UHFFFAOYSA-N 1 3 303.450 2.075 20 0 DEADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CCC1CCCCC1)C1CC1 ZINC001159915634 798624759 /nfs/dbraw/zinc/62/47/59/798624759.db2.gz LDTFUTBIQJHWEG-QGZVFWFLSA-N 1 3 309.498 2.393 20 0 DEADHO CN(C)[C@H](C(=O)NCCC[NH2+]C/C=C\c1ccccc1)C1CC1 ZINC001159914166 798625224 /nfs/dbraw/zinc/62/52/24/798625224.db2.gz AVQPECPHIFDHFJ-TWVNLXSWSA-N 1 3 315.461 2.136 20 0 DEADHO C[C@@H]([NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C)c1ccc(F)cc1 ZINC001159931468 798628188 /nfs/dbraw/zinc/62/81/88/798628188.db2.gz DDMGWXAVWQFQJH-DYVFJYSZSA-N 1 3 321.440 2.323 20 0 DEADHO CN(CC(=O)NCCC1=CC[N@H+](CCC2CC2)CC1)C1CCC1 ZINC001160379105 798681874 /nfs/dbraw/zinc/68/18/74/798681874.db2.gz BRGZBGZGNWJVNM-UHFFFAOYSA-N 1 3 319.493 2.409 20 0 DEADHO CN(CC(=O)NCCC1=CC[N@@H+](CCC2CC2)CC1)C1CCC1 ZINC001160379105 798681875 /nfs/dbraw/zinc/68/18/75/798681875.db2.gz BRGZBGZGNWJVNM-UHFFFAOYSA-N 1 3 319.493 2.409 20 0 DEADHO CN[C@H](C(=O)Nc1ccc(C[NH2+]C)cc1)[C@@H](C)OC(C)(C)C ZINC001160444138 798689363 /nfs/dbraw/zinc/68/93/63/798689363.db2.gz WNDNIWDDDMCSBQ-DOMZBBRYSA-N 1 3 307.438 2.136 20 0 DEADHO Cc1nc(N(C)C)cc(N(Cc2ccccc2)C[C@H](C)C[NH3+])n1 ZINC001160660344 798716705 /nfs/dbraw/zinc/71/67/05/798716705.db2.gz KOVLYBJFQREZAO-CQSZACIVSA-N 1 3 313.449 2.452 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]CCCCCF)CC1 ZINC001201327117 798740900 /nfs/dbraw/zinc/74/09/00/798740900.db2.gz GQOORRULWBEKCU-UHFFFAOYSA-N 1 3 315.477 2.437 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+][C@H]1CCc2ccccc21)N(C)C ZINC001160882940 798755303 /nfs/dbraw/zinc/75/53/03/798755303.db2.gz BNPDZTMJYQZPRT-DLBZAZTESA-N 1 3 303.450 2.110 20 0 DEADHO Cc1cnc(NC2CC[NH+](CC(=O)C(C)(C)C)CC2)c(N)c1 ZINC001161119507 798798792 /nfs/dbraw/zinc/79/87/92/798798792.db2.gz AUXITFDOOLHRKP-UHFFFAOYSA-N 1 3 304.438 2.464 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCCC1=CC[N@H+](CC2CCC2)CC1 ZINC001161205862 798809456 /nfs/dbraw/zinc/80/94/56/798809456.db2.gz HLUSMKSJEVSZLO-MRXNPFEDSA-N 1 3 319.493 2.409 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCCC1=CC[N@@H+](CC2CCC2)CC1 ZINC001161205862 798809461 /nfs/dbraw/zinc/80/94/61/798809461.db2.gz HLUSMKSJEVSZLO-MRXNPFEDSA-N 1 3 319.493 2.409 20 0 DEADHO O=C(c1ccc2c(c1)CNC2)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161215968 798812519 /nfs/dbraw/zinc/81/25/19/798812519.db2.gz JNTFYLFXQWUUAQ-UHFFFAOYSA-N 1 3 313.445 2.142 20 0 DEADHO CC(C)N(C(=O)[C@@H]1CCC[C@H](c2ccccc2)N1)[C@H]1CC[NH2+]C1 ZINC001161352568 798834631 /nfs/dbraw/zinc/83/46/31/798834631.db2.gz CRWAPNRWBPZMPH-KSZLIROESA-N 1 3 315.461 2.469 20 0 DEADHO CC[C@@H](C(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001161447330 798860722 /nfs/dbraw/zinc/86/07/22/798860722.db2.gz XLKAOJFCPBMCDQ-ZWKOTPCHSA-N 1 3 317.477 2.322 20 0 DEADHO C[NH+]1CCN(c2cccc(NCc3ncn4ccccc34)n2)CC1 ZINC001161685481 798911404 /nfs/dbraw/zinc/91/14/04/798911404.db2.gz IKVXLRZELVDZCL-UHFFFAOYSA-N 1 3 322.416 2.093 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1)N(C)C ZINC001110693515 798969479 /nfs/dbraw/zinc/96/94/79/798969479.db2.gz MBTJANJDNHPRBC-BDXSIMOUSA-N 1 3 321.509 2.484 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1)N(C)C ZINC001110693515 798969488 /nfs/dbraw/zinc/96/94/88/798969488.db2.gz MBTJANJDNHPRBC-BDXSIMOUSA-N 1 3 321.509 2.484 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC3CCCC3)C[C@H]21)N(C)C ZINC001114463750 799128869 /nfs/dbraw/zinc/12/88/69/799128869.db2.gz LHKRBGHIBMIAQF-XDNAFOTISA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC3CCCC3)C[C@H]21)N(C)C ZINC001114463750 799128875 /nfs/dbraw/zinc/12/88/75/799128875.db2.gz LHKRBGHIBMIAQF-XDNAFOTISA-N 1 3 321.509 2.343 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCCC3)C[C@H]21 ZINC001114483608 799143171 /nfs/dbraw/zinc/14/31/71/799143171.db2.gz JXVLRHTVWBGHHC-FVQHAEBGSA-N 1 3 321.509 2.343 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCCC3)C[C@H]21 ZINC001114483608 799143178 /nfs/dbraw/zinc/14/31/78/799143178.db2.gz JXVLRHTVWBGHHC-FVQHAEBGSA-N 1 3 321.509 2.343 20 0 DEADHO CCN(CC)CCNC(=[NH2+])Nc1ncnc2c1ccn2C(C)C ZINC001163128616 799252825 /nfs/dbraw/zinc/25/28/25/799252825.db2.gz NGYNYXFFUVIQLT-UHFFFAOYSA-N 1 3 317.441 2.290 20 0 DEADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CCN(Cc2ccsc2)CC1 ZINC001006400865 799392275 /nfs/dbraw/zinc/39/22/75/799392275.db2.gz OLWGZBOFRDRWHH-OAHLLOKOSA-N 1 3 321.490 2.123 20 0 DEADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CCN(Cc2ccsc2)CC1 ZINC001006400865 799392283 /nfs/dbraw/zinc/39/22/83/799392283.db2.gz OLWGZBOFRDRWHH-OAHLLOKOSA-N 1 3 321.490 2.123 20 0 DEADHO Cc1cc(NCC2(N(C)C)CC[NH+](C)CC2)c2nccn2c1 ZINC001164213586 799540111 /nfs/dbraw/zinc/54/01/11/799540111.db2.gz XIWLJLBSNLERDN-UHFFFAOYSA-N 1 3 301.438 2.081 20 0 DEADHO CN(C)C1(CNc2cccc3c2CCCO3)CC[NH+](C)CC1 ZINC001164217543 799542400 /nfs/dbraw/zinc/54/24/00/799542400.db2.gz WLFYTMZECPRKMK-UHFFFAOYSA-N 1 3 303.450 2.450 20 0 DEADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001095424285 799589324 /nfs/dbraw/zinc/58/93/24/799589324.db2.gz LFYODMARFSSYBF-OWSLCNJRSA-N 1 3 317.477 2.016 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1c1cc(C[NH3+])ncn1 ZINC001165200039 799671238 /nfs/dbraw/zinc/67/12/38/799671238.db2.gz AAWMMIBOGXNXJR-LSDHHAIUSA-N 1 3 311.433 2.035 20 0 DEADHO CC(C)CC[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001165485601 799737068 /nfs/dbraw/zinc/73/70/68/799737068.db2.gz ZWVOXKCDMLZLCE-MRXNPFEDSA-N 1 3 309.498 2.249 20 0 DEADHO C[C@H]([NH2+]CCCNC(=O)CN1CCC[C@@H]1C)c1cccc(F)c1 ZINC001166645831 799909567 /nfs/dbraw/zinc/90/95/67/799909567.db2.gz VPIBDXDCUWAKAO-GJZGRUSLSA-N 1 3 321.440 2.467 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166668186 799915153 /nfs/dbraw/zinc/91/51/53/799915153.db2.gz UMPHTASFPUBCAE-WBVHZDCISA-N 1 3 317.477 2.494 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CC2CC3(CCC3)C2)C1 ZINC001166677080 799918065 /nfs/dbraw/zinc/91/80/65/799918065.db2.gz FGZHOLNRCJQFFJ-HNNXBMFYSA-N 1 3 307.482 2.004 20 0 DEADHO CC1(C)CCN(CC(=O)NCCC[NH2+]Cc2ccccc2F)C1 ZINC001166758931 799942489 /nfs/dbraw/zinc/94/24/89/799942489.db2.gz NFYWXVVUDFIVJT-UHFFFAOYSA-N 1 3 321.440 2.154 20 0 DEADHO CCCCC[NH2+][C@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203661449 800101556 /nfs/dbraw/zinc/10/15/56/800101556.db2.gz VHZRJWASLJWUFD-HOTGVXAUSA-N 1 3 318.465 2.468 20 0 DEADHO C[NH+]1CCC(CN2CCN(Cc3ccc(F)cc3F)CC2)CC1 ZINC001204213256 800189432 /nfs/dbraw/zinc/18/94/32/800189432.db2.gz OSCXAIIEOOQDAG-UHFFFAOYSA-N 1 3 323.431 2.424 20 0 DEADHO C[NH+](C)CCCOc1ccc(CN2CC(C3COC3)C2)cc1 ZINC001204266066 800197203 /nfs/dbraw/zinc/19/72/03/800197203.db2.gz KZBKOJSNPPBDHT-UHFFFAOYSA-N 1 3 304.434 2.095 20 0 DEADHO COC(=O)c1ccc2c(CN3CCC[C@@H]([NH3+])CC3)c[nH]c2c1 ZINC001205101392 800296277 /nfs/dbraw/zinc/29/62/77/800296277.db2.gz DXFCPRMURUGKOE-CQSZACIVSA-N 1 3 301.390 2.268 20 0 DEADHO COc1ccc(OC(C)C)c(CN2CCC[C@](O)(C[NH3+])CC2)c1 ZINC001205239403 800327395 /nfs/dbraw/zinc/32/73/95/800327395.db2.gz ADYOPEHSLGJEOB-GOSISDBHSA-N 1 3 322.449 2.158 20 0 DEADHO [NH3+]C[C@]1(O)CCCN(Cc2cccc(-c3cccs3)n2)CC1 ZINC001205249369 800330137 /nfs/dbraw/zinc/33/01/37/800330137.db2.gz XIWDRENQAVBCDK-KRWDZBQOSA-N 1 3 317.458 2.486 20 0 DEADHO CCCCC[NH2+]CC1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001205461544 800359909 /nfs/dbraw/zinc/35/99/09/800359909.db2.gz MSJIDQIKAUCCHC-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO COC(=O)c1cc(F)cc(CN2CCC[C@](F)(C[NH3+])CC2)c1 ZINC001205580266 800379822 /nfs/dbraw/zinc/37/98/22/800379822.db2.gz RVQNYISZWGKJFJ-MRXNPFEDSA-N 1 3 312.360 2.265 20 0 DEADHO COC(=O)c1ccc(CN2CCC[C@@](F)(C[NH3+])CC2)cc1F ZINC001205581514 800380980 /nfs/dbraw/zinc/38/09/80/800380980.db2.gz UXNODWNZQXXHGN-INIZCTEOSA-N 1 3 312.360 2.265 20 0 DEADHO COC(=O)c1cc(F)cc(CN2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1 ZINC001205653694 800394960 /nfs/dbraw/zinc/39/49/60/800394960.db2.gz UKBSAVWPZTUSIB-JSGCOSHPSA-N 1 3 308.397 2.419 20 0 DEADHO CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CC[C@H](N)[C@@H](F)CC2)c1C ZINC001206167506 800482731 /nfs/dbraw/zinc/48/27/31/800482731.db2.gz ZOMUAIKHNZGBFC-KBPBESRZSA-N 1 3 311.401 2.069 20 0 DEADHO CCOC(=O)c1[nH]c(C)c(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)c1C ZINC001206167506 800482733 /nfs/dbraw/zinc/48/27/33/800482733.db2.gz ZOMUAIKHNZGBFC-KBPBESRZSA-N 1 3 311.401 2.069 20 0 DEADHO CC(C)NC(=O)c1ccc(C[N@@H+]2CC[C@@H](N)[C@@H](F)CC2)cc1 ZINC001206174974 800485646 /nfs/dbraw/zinc/48/56/46/800485646.db2.gz QUBZEJWLGHDEOC-JKSUJKDBSA-N 1 3 307.413 2.086 20 0 DEADHO CC(C)NC(=O)c1ccc(C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)cc1 ZINC001206174974 800485650 /nfs/dbraw/zinc/48/56/50/800485650.db2.gz QUBZEJWLGHDEOC-JKSUJKDBSA-N 1 3 307.413 2.086 20 0 DEADHO C[C@H](F)CC[NH2+]CC1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001206275487 800500166 /nfs/dbraw/zinc/50/01/66/800500166.db2.gz UCIQDDVQKYIFNP-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO CCCN(C)CC(=O)N1CCC(C[NH2+]CCC(F)(F)F)CC1 ZINC001206890383 800619134 /nfs/dbraw/zinc/61/91/34/800619134.db2.gz OZOGXWBMEDCIJD-UHFFFAOYSA-N 1 3 323.403 2.109 20 0 DEADHO CN(C)CC(C)(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)OC(C)(C)C ZINC001207278889 800721394 /nfs/dbraw/zinc/72/13/94/800721394.db2.gz GAQJOJAOUVHRHE-WDNDVIMCSA-N 1 3 311.470 2.029 20 0 DEADHO CN(C)CC(C)(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)OC(C)(C)C ZINC001207278889 800721400 /nfs/dbraw/zinc/72/14/00/800721400.db2.gz GAQJOJAOUVHRHE-WDNDVIMCSA-N 1 3 311.470 2.029 20 0 DEADHO Cc1cncnc1OC1CC[NH+](CC(C)(C)CN(C)C)CC1 ZINC001207283665 800723779 /nfs/dbraw/zinc/72/37/79/800723779.db2.gz CDNWUGXABHBELJ-UHFFFAOYSA-N 1 3 306.454 2.216 20 0 DEADHO CN1CC2(C1)CC[NH+](C[C@@H]1CCCN1C(=O)OC(C)(C)C)CC2 ZINC001207376586 800740851 /nfs/dbraw/zinc/74/08/51/800740851.db2.gz CFTISZBUHKWEBC-HNNXBMFYSA-N 1 3 323.481 2.414 20 0 DEADHO CCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001208114723 800915020 /nfs/dbraw/zinc/91/50/20/800915020.db2.gz SXIJLFUOXDZKGT-NXHRZFHOSA-N 1 3 321.509 2.488 20 0 DEADHO CCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001208114723 800915026 /nfs/dbraw/zinc/91/50/26/800915026.db2.gz SXIJLFUOXDZKGT-NXHRZFHOSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)CC[N@@H+]1C[C@@H]2CCC[C@@H](N(C)Cc3ccccn3)[C@@H]2C1 ZINC001208125892 800917325 /nfs/dbraw/zinc/91/73/25/800917325.db2.gz ASIIBJMFLWRJFM-QXAKKESOSA-N 1 3 316.493 2.176 20 0 DEADHO CN(C)CC[N@H+]1C[C@@H]2CCC[C@@H](N(C)Cc3ccccn3)[C@@H]2C1 ZINC001208125892 800917329 /nfs/dbraw/zinc/91/73/29/800917329.db2.gz ASIIBJMFLWRJFM-QXAKKESOSA-N 1 3 316.493 2.176 20 0 DEADHO C[NH+](C)CC1(CN2CCC3(CCCC(=O)N3)CC2)CCCC1 ZINC001208185948 800925812 /nfs/dbraw/zinc/92/58/12/800925812.db2.gz FBHIPCAAKURKDA-UHFFFAOYSA-N 1 3 307.482 2.243 20 0 DEADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](CCC3CCCC3)CC[C@@H]21 ZINC001208692853 801048354 /nfs/dbraw/zinc/04/83/54/801048354.db2.gz CXZAZSIOINHIJD-SQNIBIBYSA-N 1 3 317.481 2.253 20 0 DEADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](CCC3CCCC3)CC[C@@H]21 ZINC001208692853 801048358 /nfs/dbraw/zinc/04/83/58/801048358.db2.gz CXZAZSIOINHIJD-SQNIBIBYSA-N 1 3 317.481 2.253 20 0 DEADHO CN1CC2(C1)CC[NH+](CCOCCOCc1ccccc1)CC2 ZINC001208750395 801063438 /nfs/dbraw/zinc/06/34/38/801063438.db2.gz LCQGNYWZBOTRSP-UHFFFAOYSA-N 1 3 318.461 2.247 20 0 DEADHO OC1CC2(C1)C[NH+](C[C@H]1CCCN(Cc3ccccc3)C1)C2 ZINC001208932866 801097506 /nfs/dbraw/zinc/09/75/06/801097506.db2.gz RPGRFQAKSBQYPA-KRWDZBQOSA-N 1 3 300.446 2.355 20 0 DEADHO c1ccc(C[N@H+]2CCC[C@@H](CN3CC(C4COC4)C3)C2)cc1 ZINC001208931431 801097595 /nfs/dbraw/zinc/09/75/95/801097595.db2.gz JRALMZDODAGSIM-QGZVFWFLSA-N 1 3 300.446 2.477 20 0 DEADHO c1ccc(C[N@@H+]2CCC[C@@H](CN3CC(C4COC4)C3)C2)cc1 ZINC001208931431 801097599 /nfs/dbraw/zinc/09/75/99/801097599.db2.gz JRALMZDODAGSIM-QGZVFWFLSA-N 1 3 300.446 2.477 20 0 DEADHO Cc1cc(F)ccc1CN1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001228999210 801207459 /nfs/dbraw/zinc/20/74/59/801207459.db2.gz PKSGTEIXIYVVSN-UHFFFAOYSA-N 1 3 321.440 2.166 20 0 DEADHO C[NH+]1CC2(C1)CCN(Cc1ccc(N3CCCC3)nc1)CC2 ZINC001209626730 801238231 /nfs/dbraw/zinc/23/82/31/801238231.db2.gz UGIZMMAHFHSYQD-UHFFFAOYSA-N 1 3 300.450 2.209 20 0 DEADHO CN1CC2(C1)CC[NH+](Cc1ccc(N3CCCC3)nc1)CC2 ZINC001209626730 801238234 /nfs/dbraw/zinc/23/82/34/801238234.db2.gz UGIZMMAHFHSYQD-UHFFFAOYSA-N 1 3 300.450 2.209 20 0 DEADHO C[C@H]1CCCN1CC(=O)NC1CC[NH+](CCCCCF)CC1 ZINC001229185236 801238308 /nfs/dbraw/zinc/23/83/08/801238308.db2.gz JNELSESMTRZDTO-HNNXBMFYSA-N 1 3 313.461 2.191 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]([NH2+]C/C=C\Cl)C1)CC(C)(C)C ZINC001209690551 801255708 /nfs/dbraw/zinc/25/57/08/801255708.db2.gz RRGBAFNWUNLHHF-IQCBXXCUSA-N 1 3 315.889 2.297 20 0 DEADHO CC(C)(C)CCC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001209836430 801292935 /nfs/dbraw/zinc/29/29/35/801292935.db2.gz KMLAMGXBUGOYMD-AWEZNQCLSA-N 1 3 306.454 2.359 20 0 DEADHO CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001209836302 801293588 /nfs/dbraw/zinc/29/35/88/801293588.db2.gz JLISNHMJIRBHIL-FOSCPCJNSA-N 1 3 304.438 2.279 20 0 DEADHO CC(C)C[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001209835356 801293800 /nfs/dbraw/zinc/29/38/00/801293800.db2.gz ACQQRPMHLWNQHL-LSDHHAIUSA-N 1 3 306.454 2.215 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CCc2ccccc2)C1 ZINC001210217656 801352413 /nfs/dbraw/zinc/35/24/13/801352413.db2.gz KPDUBGHOCHPEHD-SFHVURJKSA-N 1 3 317.477 2.152 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001210219748 801352494 /nfs/dbraw/zinc/35/24/94/801352494.db2.gz UEEZOXCPFJBDMN-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CCCCCF)C1 ZINC001210231017 801355768 /nfs/dbraw/zinc/35/57/68/801355768.db2.gz ZSJRYGUBVHYCHU-OAHLLOKOSA-N 1 3 301.450 2.049 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001230630405 801441470 /nfs/dbraw/zinc/44/14/70/801441470.db2.gz SHYURUBBZSWUEA-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001230630405 801441475 /nfs/dbraw/zinc/44/14/75/801441475.db2.gz SHYURUBBZSWUEA-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@H]([NH2+]CCCF)C1 ZINC001211248080 801536411 /nfs/dbraw/zinc/53/64/11/801536411.db2.gz DBOZGTKBWWXVOM-INIZCTEOSA-N 1 3 321.440 2.302 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001211282524 801541645 /nfs/dbraw/zinc/54/16/45/801541645.db2.gz BDKYZLOLCRRJDC-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO N#Cc1ccc([C@@H](O)C[N@@H+]2C[C@@H](c3ccccc3)[C@H](N)C2)cc1 ZINC000402178814 801867752 /nfs/dbraw/zinc/86/77/52/801867752.db2.gz VMRRMWPCNIXKCZ-OTWHNJEPSA-N 1 3 307.397 2.018 20 0 DEADHO N#Cc1ccc([C@@H](O)C[N@H+]2C[C@@H](c3ccccc3)[C@H](N)C2)cc1 ZINC000402178814 801867757 /nfs/dbraw/zinc/86/77/57/801867757.db2.gz VMRRMWPCNIXKCZ-OTWHNJEPSA-N 1 3 307.397 2.018 20 0 DEADHO CCCCCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001215539832 801872922 /nfs/dbraw/zinc/87/29/22/801872922.db2.gz AARIDCRRWWUWLQ-BRWVUGGUSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](F)C[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001215568353 801877176 /nfs/dbraw/zinc/87/71/76/801877176.db2.gz MSIHVRGKWGIAAB-QLFBSQMISA-N 1 3 315.477 2.149 20 0 DEADHO C[C@@H]([NH3+])c1cccc(C(=O)Nc2cc([C@H]3CCCN3)no2)c1 ZINC001218711985 802229615 /nfs/dbraw/zinc/22/96/15/802229615.db2.gz GEJMBKDXMAGSSH-ZWNOBZJWSA-N 1 3 300.362 2.371 20 0 DEADHO Cc1c(NC(=O)[C@H](N)CCC[NH3+])snc1-c1ccccc1 ZINC001218719081 802232527 /nfs/dbraw/zinc/23/25/27/802232527.db2.gz LSKJFBJWUUPKFN-GFCCVEGCSA-N 1 3 304.419 2.123 20 0 DEADHO N[C@@H](C(=O)Nc1ccc(-c2cccnc2)cc1)C1CC[NH2+]CC1 ZINC001218915075 802258615 /nfs/dbraw/zinc/25/86/15/802258615.db2.gz KOYPCQRNRIPDKX-QGZVFWFLSA-N 1 3 310.401 2.014 20 0 DEADHO CC1(C(=O)Nc2ccc3c(c2)CNCCO3)CCC([NH3+])CC1 ZINC001219025669 802275202 /nfs/dbraw/zinc/27/52/02/802275202.db2.gz PNRADQBHJALDQL-UHFFFAOYSA-N 1 3 303.406 2.015 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccccc1OCC1CC1 ZINC001219384054 802320301 /nfs/dbraw/zinc/32/03/01/802320301.db2.gz HYQJOVFEYQOHEY-HNNXBMFYSA-N 1 3 319.449 2.473 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]2CCC[C@H](c3ccccc3)N2)C1 ZINC001219649196 802358173 /nfs/dbraw/zinc/35/81/73/802358173.db2.gz GJUXVRPEXZKTOO-BURFUSLBSA-N 1 3 315.461 2.232 20 0 DEADHO C[C@H](C[NH+](C)C)NC(=O)C[C@@H](N)c1ccc(Cl)cc1Cl ZINC001219916434 802390482 /nfs/dbraw/zinc/39/04/82/802390482.db2.gz VTLJEFKDNBKFQM-NOZJJQNGSA-N 1 3 318.248 2.450 20 0 DEADHO C[C@]12CC3CC(NC(=O)[C@@H](N)C4CC[NH2+]CC4)(C1)C[C@@](C)(C3)C2 ZINC001219993959 802399575 /nfs/dbraw/zinc/39/95/75/802399575.db2.gz AQDVUSZRKZAKIQ-WGEGOOGTSA-N 1 3 319.493 2.179 20 0 DEADHO CC(C)C[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1ccccc1 ZINC001220031586 802404413 /nfs/dbraw/zinc/40/44/13/802404413.db2.gz YBWSQBYALVUDTF-ZHALLVOQSA-N 1 3 315.461 2.089 20 0 DEADHO N[C@@H](CCC[NH3+])C(=O)NCc1cccc(-c2cccs2)c1 ZINC001220451651 802462009 /nfs/dbraw/zinc/46/20/09/802462009.db2.gz VMDHDYFJKWTXAU-AWEZNQCLSA-N 1 3 303.431 2.098 20 0 DEADHO CC[C@H](NC(=O)[C@@H](N)CCCC[NH+](C)C)c1ccccc1OC ZINC001220635799 802481313 /nfs/dbraw/zinc/48/13/13/802481313.db2.gz PTUNOQBWDAOHIH-HOTGVXAUSA-N 1 3 321.465 2.322 20 0 DEADHO C[C@H]1CC[NH2+][C@@H](C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC001221063287 802525492 /nfs/dbraw/zinc/52/54/92/802525492.db2.gz QSLWOBYTYGTGBC-RYQLBKOJSA-N 1 3 315.461 2.155 20 0 DEADHO Clc1cccc2c(CN3CCNC4(CC[NH2+]CC4)C3)c[nH]c21 ZINC001222090463 802640057 /nfs/dbraw/zinc/64/00/57/802640057.db2.gz COWSKKDCRXIFTG-UHFFFAOYSA-N 1 3 318.852 2.349 20 0 DEADHO C[C@@H](F)CC[NH+]1CCC(CNC(=O)CN(C)C2CCC2)CC1 ZINC001223495373 802795330 /nfs/dbraw/zinc/79/53/30/802795330.db2.gz MAURVTSQCUSZPL-CQSZACIVSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1CC[NH+](CC2CCC2)CC1)N(C)C ZINC001223533446 802798546 /nfs/dbraw/zinc/79/85/46/802798546.db2.gz JMNMBPNNYVGTHM-KRWDZBQOSA-N 1 3 309.498 2.201 20 0 DEADHO CC1CC(C[NH+]2CCC(NC(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001227806821 803282925 /nfs/dbraw/zinc/28/29/25/803282925.db2.gz GPWPKZIBXSNQLU-UHFFFAOYSA-N 1 3 307.482 2.097 20 0 DEADHO CN(CC(=O)NC1CC[NH+](CCC(C)(C)C)CC1)C1CCC1 ZINC001227832373 803285946 /nfs/dbraw/zinc/28/59/46/803285946.db2.gz HIGKPNYYSVSEQL-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]Cc1ccccc1F ZINC001368847134 1148713866 /nfs/dbraw/zinc/71/38/66/1148713866.db2.gz SYCHVXKZAHHADI-KBPBESRZSA-N 1 3 321.440 2.293 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001370406557 1149658031 /nfs/dbraw/zinc/65/80/31/1149658031.db2.gz WHHDVHLOGLEEQC-YOEHRIQHSA-N 1 3 321.440 2.419 20 0 DEADHO CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001368345454 1148420190 /nfs/dbraw/zinc/42/01/90/1148420190.db2.gz DFVRGDYSPUEGOK-DOTOQJQBSA-N 1 3 311.514 2.447 20 0 DEADHO CC[NH2+]CC(C)(C)CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001368924941 1148773958 /nfs/dbraw/zinc/77/39/58/1148773958.db2.gz OVHIMCCWDGYNNF-UHFFFAOYSA-N 1 3 305.466 2.456 20 0 DEADHO C[C@@H](C(=O)Nc1ccc(F)cc1F)N(C)CC1CC[NH2+]CC1 ZINC001575082389 1069358572 /nfs/dbraw/zinc/35/85/72/1069358572.db2.gz NLHVVHNLUCSUJC-NSHDSACASA-N 1 3 311.376 2.223 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC001575138607 1069377236 /nfs/dbraw/zinc/37/72/36/1069377236.db2.gz AAICKGGKWJEZBB-WJTFHPDPSA-N 1 3 307.482 2.129 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+]Cc2ccsc2)CCC1 ZINC001368496409 1148467753 /nfs/dbraw/zinc/46/77/53/1148467753.db2.gz KCUBHXSEORJCRU-UHFFFAOYSA-N 1 3 309.479 2.217 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@H+](CC[C@@H](C)F)CC1 ZINC001368527957 1148478936 /nfs/dbraw/zinc/47/89/36/1148478936.db2.gz VPUJQQMGKVMZHI-HUUCEWRRSA-N 1 3 301.450 2.047 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@@H+](CC[C@@H](C)F)CC1 ZINC001368527957 1148478941 /nfs/dbraw/zinc/47/89/41/1148478941.db2.gz VPUJQQMGKVMZHI-HUUCEWRRSA-N 1 3 301.450 2.047 20 0 DEADHO C[C@H](CNC(=O)CCC[NH+]1CCCC1)N(C)Cc1ccccc1 ZINC001369007346 1148827244 /nfs/dbraw/zinc/82/72/44/1148827244.db2.gz RHSBJAXDXBQSLK-QGZVFWFLSA-N 1 3 317.477 2.499 20 0 DEADHO C[C@H](NC(=O)CN1CC[C@H](C)C1)C1C[NH+](CCC2CCCC2)C1 ZINC001369091071 1148846697 /nfs/dbraw/zinc/84/66/97/1148846697.db2.gz LYJOJWVKYIXTMU-HOTGVXAUSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H](NC(=O)[C@H](C)N1CCCCCC1)C1C[NH+](CC2CC2)C1 ZINC001369093917 1148847327 /nfs/dbraw/zinc/84/73/27/1148847327.db2.gz WFXRFMGVLACJNG-GJZGRUSLSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](NC(=O)CCC[NH+]1CCCCC1)C1CN(CCCF)C1 ZINC001369101445 1148848840 /nfs/dbraw/zinc/84/88/40/1148848840.db2.gz NUNSARMMMSGLIK-HNNXBMFYSA-N 1 3 313.461 2.049 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CCC2CC2)C1)N(C)C ZINC001500355966 1058718903 /nfs/dbraw/zinc/71/89/03/1058718903.db2.gz IJBBGFGSFZPQDZ-WMZOPIPTSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cc2ccccc2n(C)c1=O ZINC001462204186 1058777289 /nfs/dbraw/zinc/77/72/89/1058777289.db2.gz SEXPHVQDFXYWMI-YOEHRIQHSA-N 1 3 313.445 2.311 20 0 DEADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cc2ccccc2n(C)c1=O ZINC001462204186 1058777308 /nfs/dbraw/zinc/77/73/08/1058777308.db2.gz SEXPHVQDFXYWMI-YOEHRIQHSA-N 1 3 313.445 2.311 20 0 DEADHO CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001501153147 1059336923 /nfs/dbraw/zinc/33/69/23/1059336923.db2.gz LCKORQZCJRQWTH-UAEOLWBESA-N 1 3 309.498 2.367 20 0 DEADHO CCC[NH2+]CCN(Cc1ccccc1)C(=O)CN1CC[C@H](C)C1 ZINC001501198007 1059367754 /nfs/dbraw/zinc/36/77/54/1059367754.db2.gz VSGBNFSJAHXQKT-KRWDZBQOSA-N 1 3 317.477 2.357 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2)C1)N(C)C ZINC001369163906 1148859131 /nfs/dbraw/zinc/85/91/31/1148859131.db2.gz LJGCNISRZUZSGQ-BZSNNMDCSA-N 1 3 317.477 2.257 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001368574867 1148503125 /nfs/dbraw/zinc/50/31/25/1148503125.db2.gz RVCGTWZJIBJGSE-RBSFLKMASA-N 1 3 313.461 2.093 20 0 DEADHO CCOCC[C@@H](O)CN1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001473717657 1060714924 /nfs/dbraw/zinc/71/49/24/1060714924.db2.gz YWWXSSYAOJIFEU-QZTJIDSGSA-N 1 3 312.498 2.360 20 0 DEADHO CN(CC(C)(C)C[NH2+]CCCF)C(=O)C(C)(C)N1CCCC1 ZINC001505828409 1061007972 /nfs/dbraw/zinc/00/79/72/1061007972.db2.gz RCXJSBLYPGOTLR-UHFFFAOYSA-N 1 3 315.477 2.295 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001479400712 1061439260 /nfs/dbraw/zinc/43/92/60/1061439260.db2.gz UHASQHRCGZXDGC-KBAYOESNSA-N 1 3 321.509 2.393 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C/C=C/c1ccccc1 ZINC001506056680 1061625988 /nfs/dbraw/zinc/62/59/88/1061625988.db2.gz MYCVABLBCLXLNX-XMIMXHRVSA-N 1 3 315.461 2.088 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C/C=C/c1ccccc1 ZINC001506056680 1061625995 /nfs/dbraw/zinc/62/59/95/1061625995.db2.gz MYCVABLBCLXLNX-XMIMXHRVSA-N 1 3 315.461 2.088 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CC1CCC1 ZINC001479832252 1061858428 /nfs/dbraw/zinc/85/84/28/1061858428.db2.gz QWCYVDUOEUUWIV-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]2C[N@H+](CC3CC3)CC[C@@H]21 ZINC001480187414 1062440909 /nfs/dbraw/zinc/44/09/09/1062440909.db2.gz CEUBJQSOPDOKFK-SJORKVTESA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]2C[N@@H+](CC3CC3)CC[C@@H]21 ZINC001480187414 1062440913 /nfs/dbraw/zinc/44/09/13/1062440913.db2.gz CEUBJQSOPDOKFK-SJORKVTESA-N 1 3 307.482 2.050 20 0 DEADHO CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001506861196 1062445097 /nfs/dbraw/zinc/44/50/97/1062445097.db2.gz QYXWFXZQXVUPSN-JYJNAYRXSA-N 1 3 307.482 2.097 20 0 DEADHO CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001506861196 1062445106 /nfs/dbraw/zinc/44/51/06/1062445106.db2.gz QYXWFXZQXVUPSN-JYJNAYRXSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CCC2)C1)N(C)C ZINC001480254540 1062536902 /nfs/dbraw/zinc/53/69/02/1062536902.db2.gz DIEDOZWCHCZRLK-IRXDYDNUSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CC2CCC2)C1)N(C)C ZINC001480254540 1062536923 /nfs/dbraw/zinc/53/69/23/1062536923.db2.gz DIEDOZWCHCZRLK-IRXDYDNUSA-N 1 3 309.498 2.201 20 0 DEADHO CN(CC(=O)NC[C@@H]1CCC[N@H+](CCCF)C1)CC(C)(C)C ZINC001480262138 1062552035 /nfs/dbraw/zinc/55/20/35/1062552035.db2.gz FTOOZTAVZWTTGE-HNNXBMFYSA-N 1 3 315.477 2.152 20 0 DEADHO CN(CC(=O)NC[C@@H]1CCC[N@@H+](CCCF)C1)CC(C)(C)C ZINC001480262138 1062552056 /nfs/dbraw/zinc/55/20/56/1062552056.db2.gz FTOOZTAVZWTTGE-HNNXBMFYSA-N 1 3 315.477 2.152 20 0 DEADHO CC(C)[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CC1CCC1 ZINC001506987264 1062636525 /nfs/dbraw/zinc/63/65/25/1062636525.db2.gz WQAVZFUIQRRFIL-MRXNPFEDSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1cccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCCN2C(C)C)c1 ZINC001480458290 1062894613 /nfs/dbraw/zinc/89/46/13/1062894613.db2.gz CHGFHWPPQHWTPI-AEFFLSMTSA-N 1 3 317.477 2.462 20 0 DEADHO CCc1ccccc1C[NH2+][C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001480476050 1062909341 /nfs/dbraw/zinc/90/93/41/1062909341.db2.gz VYKCTELXIPAGRS-OAHLLOKOSA-N 1 3 317.477 2.328 20 0 DEADHO C[C@@H]1[C@H]([NH2+]CCC(F)(F)F)CCN1C(=O)CN(C)C1CCC1 ZINC001507283075 1063031452 /nfs/dbraw/zinc/03/14/52/1063031452.db2.gz LHVJMCVKIWJJMY-DGCLKSJQSA-N 1 3 321.387 2.002 20 0 DEADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+]CCC2CCCC2)C1 ZINC001480679587 1063178654 /nfs/dbraw/zinc/17/86/54/1063178654.db2.gz PHRXSUXELWFQOA-KRWDZBQOSA-N 1 3 307.482 2.101 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001480684072 1063181768 /nfs/dbraw/zinc/18/17/68/1063181768.db2.gz WXHJPFCNAAYCNA-MRXNPFEDSA-N 1 3 321.440 2.104 20 0 DEADHO CC[C@@H](F)CN1CC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001493269748 1063683290 /nfs/dbraw/zinc/68/32/90/1063683290.db2.gz YTFHKRYCOJQECD-HZPDHXFCSA-N 1 3 313.461 2.049 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+]CCc1cccs1 ZINC001493805943 1063969496 /nfs/dbraw/zinc/96/94/96/1063969496.db2.gz BQGBQECOHULJEG-INIZCTEOSA-N 1 3 323.506 2.213 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@@H](C)[NH2+]C/C=C\Cl)CC1 ZINC001493846492 1063988577 /nfs/dbraw/zinc/98/85/77/1063988577.db2.gz GWAZRGHLLDVZGA-BMWLXYDHSA-N 1 3 315.889 2.297 20 0 DEADHO C[N@H+](CCC1CCCC1)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001494179265 1064160101 /nfs/dbraw/zinc/16/01/01/1064160101.db2.gz DJOSAOKBPTWMHV-GOSISDBHSA-N 1 3 321.509 2.443 20 0 DEADHO C[N@@H+](CCC1CCCC1)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001494179265 1064160110 /nfs/dbraw/zinc/16/01/10/1064160110.db2.gz DJOSAOKBPTWMHV-GOSISDBHSA-N 1 3 321.509 2.443 20 0 DEADHO CC(C)=CCN(CCNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001567451328 1064203877 /nfs/dbraw/zinc/20/38/77/1064203877.db2.gz MJJVQGIZJVEPHK-UHFFFAOYSA-N 1 3 307.482 2.265 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[NH2+]Cc1ccc(Cl)cc1 ZINC001567593430 1064269060 /nfs/dbraw/zinc/26/90/60/1064269060.db2.gz CWXPUYKYTZPIIT-UHFFFAOYSA-N 1 3 311.857 2.230 20 0 DEADHO CC(C)=CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001567621630 1064286302 /nfs/dbraw/zinc/28/63/02/1064286302.db2.gz XAMXLVBUKPSWIB-WBVHZDCISA-N 1 3 307.482 2.264 20 0 DEADHO CC/C=C/CC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001567738470 1064389214 /nfs/dbraw/zinc/38/92/14/1064389214.db2.gz PQIPPVSOHRHCRY-RGDDUWESSA-N 1 3 304.438 2.089 20 0 DEADHO CC/C=C/CC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001567738470 1064389222 /nfs/dbraw/zinc/38/92/22/1064389222.db2.gz PQIPPVSOHRHCRY-RGDDUWESSA-N 1 3 304.438 2.089 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCF ZINC001568147930 1064669962 /nfs/dbraw/zinc/66/99/62/1064669962.db2.gz VDDMPDXXABUXTL-CVEARBPZSA-N 1 3 313.461 2.190 20 0 DEADHO CCC[NH2+]C[C@@H](NC(=O)Cc1nc[nH]c1C)C1CCCCC1 ZINC001568348592 1064795280 /nfs/dbraw/zinc/79/52/80/1064795280.db2.gz IDEPWZKQLJOYEN-MRXNPFEDSA-N 1 3 306.454 2.325 20 0 DEADHO CC(C)[NH2+]CC[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001495378335 1064870792 /nfs/dbraw/zinc/87/07/92/1064870792.db2.gz PISRMFSDCLVBMU-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)N1CCC(CC[NH2+]CC[C@H](C)F)CC1)N(C)C ZINC001495430613 1064901344 /nfs/dbraw/zinc/90/13/44/1064901344.db2.gz UISNRXJQOJMKHO-HOCLYGCPSA-N 1 3 315.477 2.293 20 0 DEADHO CN(CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]C/C=C/Cl)C1CCC1 ZINC001568528862 1064939621 /nfs/dbraw/zinc/93/96/21/1064939621.db2.gz RQIDKBIPCCMSGT-MXXQPQJVSA-N 1 3 313.873 2.098 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CCCC2CCC2)C1 ZINC001495578937 1064989207 /nfs/dbraw/zinc/98/92/07/1064989207.db2.gz ZHAHLKBNNQYZQF-FUHWJXTLSA-N 1 3 321.509 2.489 20 0 DEADHO C[NH+](C)CCC(=O)N1CCC2(CCN(C/C=C/Cl)C2)CC1 ZINC001495603241 1065000477 /nfs/dbraw/zinc/00/04/77/1065000477.db2.gz WCTCDYCRBPEKRO-FPYGCLRLSA-N 1 3 313.873 2.005 20 0 DEADHO C[C@H]1CCN(CC(=O)NC/C=C\C[NH2+]CCCC(C)(C)C)C1 ZINC001568920612 1065191419 /nfs/dbraw/zinc/19/14/19/1065191419.db2.gz YPFGHIXCZNCFFL-KJPDOMRESA-N 1 3 309.498 2.417 20 0 DEADHO CC(C)[C@H](C(=O)NC/C=C/CNC/C=C/Cl)[NH+]1CCCC1 ZINC001568972292 1065222510 /nfs/dbraw/zinc/22/25/10/1065222510.db2.gz ZDZWKUWNEKGZFI-DHHHGIGWSA-N 1 3 313.873 2.121 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@@H](C[NH2+]Cc1ccsc1)C1CC1)N(C)C ZINC001369216945 1148871662 /nfs/dbraw/zinc/87/16/62/1148871662.db2.gz QLOYRGUDQAKOCD-HOTGVXAUSA-N 1 3 323.506 2.415 20 0 DEADHO Cc1cc(C)cc(C[NH2+]CCCN(C)C(=O)[C@H]2CCCN2C)c1 ZINC001569188959 1065351851 /nfs/dbraw/zinc/35/18/51/1065351851.db2.gz OQVFORRTFURIGO-GOSISDBHSA-N 1 3 317.477 2.336 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC=C(C)C)C1CC1 ZINC001569305842 1065419086 /nfs/dbraw/zinc/41/90/86/1065419086.db2.gz BECNOMYNMCDEHP-SJORKVTESA-N 1 3 307.482 2.311 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@](C)(C[NH2+]CCC3CC3)C2)CCC1 ZINC001569671250 1065662001 /nfs/dbraw/zinc/66/20/01/1065662001.db2.gz IUVKYGDIYFXZCA-KRWDZBQOSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)CCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001496866015 1065763578 /nfs/dbraw/zinc/76/35/78/1065763578.db2.gz ZWRQABPLKKIKDN-RDJZCZTQSA-N 1 3 318.465 2.311 20 0 DEADHO CC(C)CCC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001496866015 1065763591 /nfs/dbraw/zinc/76/35/91/1065763591.db2.gz ZWRQABPLKKIKDN-RDJZCZTQSA-N 1 3 318.465 2.311 20 0 DEADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CCCC1CCC1 ZINC001569849599 1065765366 /nfs/dbraw/zinc/76/53/66/1065765366.db2.gz YOAOUUVSZQCSEV-ZBFHGGJFSA-N 1 3 318.465 2.217 20 0 DEADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCCC(C)(C)C ZINC001570355033 1066030483 /nfs/dbraw/zinc/03/04/83/1066030483.db2.gz VUWUSXUKQHAEKK-HIFRSBDPSA-N 1 3 306.454 2.215 20 0 DEADHO CCCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001484338124 1079548795 /nfs/dbraw/zinc/54/87/95/1079548795.db2.gz GFZKRBTZDQAHFB-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)NC/C=C\CNCc1ccc(F)cc1)[NH+](C)C ZINC001497601734 1066185612 /nfs/dbraw/zinc/18/56/12/1066185612.db2.gz MHWDYNGORVPACZ-OSJSJHBBSA-N 1 3 321.440 2.174 20 0 DEADHO CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc1c(C)cccc1C)N(C)C ZINC001497727997 1066269994 /nfs/dbraw/zinc/26/99/94/1066269994.db2.gz QBUUZKOPWARBAL-ZEVQVBBLSA-N 1 3 317.477 2.406 20 0 DEADHO CCC1([NH2+]CC2CC2)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001368603472 1148519389 /nfs/dbraw/zinc/51/93/89/1148519389.db2.gz ZHZBZXQYCPCQNR-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1cc(C[NH2+]C[C@@H](C)NC(=O)CN(C)C2CCC2)cs1 ZINC001497830235 1066353358 /nfs/dbraw/zinc/35/33/58/1066353358.db2.gz ZPBCIBDFHHCYIJ-GFCCVEGCSA-N 1 3 309.479 2.135 20 0 DEADHO C[C@H](COc1ccccc1)NCc1ccc(N2CC[NH2+]CC2)o1 ZINC001576046883 1066482572 /nfs/dbraw/zinc/48/25/72/1066482572.db2.gz WVVNCEBORRRJGD-OAHLLOKOSA-N 1 3 315.417 2.246 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC2(CNC(=O)OC(C)(C)C)CCC2)CCN1 ZINC001576623698 1066647947 /nfs/dbraw/zinc/64/79/47/1066647947.db2.gz MEIQHHIVXBKJEH-ZIAGYGMSSA-N 1 3 311.470 2.412 20 0 DEADHO C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)C[C@H](C)N1 ZINC001576772173 1066686570 /nfs/dbraw/zinc/68/65/70/1066686570.db2.gz KWITXVZDLZYNHH-UXLLHSPISA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)C[C@H](C)N1 ZINC001576772173 1066686575 /nfs/dbraw/zinc/68/65/75/1066686575.db2.gz KWITXVZDLZYNHH-UXLLHSPISA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H]1CN1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC001576806793 1066693009 /nfs/dbraw/zinc/69/30/09/1066693009.db2.gz JLOWBLOWLHSDPR-DFEOGRTESA-N 1 3 301.478 2.437 20 0 DEADHO CC[C@@H](C)N[C@@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1ccco1 ZINC001577004206 1066744465 /nfs/dbraw/zinc/74/44/65/1066744465.db2.gz SBPSTMLUQKTFCK-BARDWOONSA-N 1 3 307.438 2.343 20 0 DEADHO CN(C)C1(C(=O)N(C)CCC[NH2+]CC2CCCCC2)CCC1 ZINC001498559867 1066778923 /nfs/dbraw/zinc/77/89/23/1066778923.db2.gz MKXQRGMSTWYFEH-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CCC1([NH+]2CCCCC2)CCN(C(=O)[C@H](N)CC(F)F)CC1 ZINC001577230573 1066794395 /nfs/dbraw/zinc/79/43/95/1066794395.db2.gz QONDXEKGNDKEFD-CYBMUJFWSA-N 1 3 317.424 2.226 20 0 DEADHO CC[C@H]1CN(C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC[C@H]1[NH3+] ZINC001577279589 1066806029 /nfs/dbraw/zinc/80/60/29/1066806029.db2.gz LEQNVEYHEVVOBH-BYNSBNAKSA-N 1 3 311.470 2.349 20 0 DEADHO CC[C@H]1C[N@H+](C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC[C@H]1N ZINC001577279589 1066806037 /nfs/dbraw/zinc/80/60/37/1066806037.db2.gz LEQNVEYHEVVOBH-BYNSBNAKSA-N 1 3 311.470 2.349 20 0 DEADHO CC[C@H]1C[N@@H+](C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC[C@H]1N ZINC001577279589 1066806044 /nfs/dbraw/zinc/80/60/44/1066806044.db2.gz LEQNVEYHEVVOBH-BYNSBNAKSA-N 1 3 311.470 2.349 20 0 DEADHO CCCN(C(=O)[C@H](C)[C@H]([NH3+])c1ccccc1)[C@H]1CCN(C)C1 ZINC001577485899 1066855059 /nfs/dbraw/zinc/85/50/59/1066855059.db2.gz ZIQNYTUUPRKGHI-PVAVHDDUSA-N 1 3 303.450 2.265 20 0 DEADHO CCOC(=O)C1(C)CC(NCC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC001577926350 1066953824 /nfs/dbraw/zinc/95/38/24/1066953824.db2.gz UDAQEBVUMLNMFZ-KLHKWILBSA-N 1 3 304.434 2.268 20 0 DEADHO CCOC(=O)C1(C)CC(NCC[C@H]([NH3+])Cc2ccccc2)C1 ZINC001577926349 1066953995 /nfs/dbraw/zinc/95/39/95/1066953995.db2.gz UDAQEBVUMLNMFZ-HJOIGYKYSA-N 1 3 304.434 2.268 20 0 DEADHO C[NH+](C)CC1(CNC(=O)C[C@@H]2NCc3ccccc32)CCCC1 ZINC001578412897 1067091359 /nfs/dbraw/zinc/09/13/59/1067091359.db2.gz WODYJAWRGKOCOH-KRWDZBQOSA-N 1 3 315.461 2.459 20 0 DEADHO CN(CC(F)(F)F)C(=O)CN[C@@H](CCC[NH3+])c1ccccc1 ZINC001578440695 1067102678 /nfs/dbraw/zinc/10/26/78/1067102678.db2.gz NWCHIFPSCXZASP-ZDUSSCGKSA-N 1 3 317.355 2.077 20 0 DEADHO CN(CCCN(C)C(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)Cc1ccco1 ZINC001578466401 1067111251 /nfs/dbraw/zinc/11/12/51/1067111251.db2.gz KSUXDKXETJVYNH-IRXDYDNUSA-N 1 3 319.449 2.091 20 0 DEADHO CN(CCN1CC[NH2+]CC1)Cc1cccc(CC2CCC2)c1 ZINC001578471431 1067112723 /nfs/dbraw/zinc/11/27/23/1067112723.db2.gz GOCWTIWYAYHLCY-UHFFFAOYSA-N 1 3 301.478 2.366 20 0 DEADHO C[NH2+]C[C@@H]1CCCN(CCC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001578657603 1067145917 /nfs/dbraw/zinc/14/59/17/1067145917.db2.gz ZICWTZZANKLSHX-AWEZNQCLSA-N 1 3 311.470 2.175 20 0 DEADHO C[NH2+]CC[C@H]1CCCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001578674525 1067147911 /nfs/dbraw/zinc/14/79/11/1067147911.db2.gz BMZLMXHFRDKAMQ-PBHICJAKSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H](CN(C)[C@H]1CCc2ccc(F)cc21)NC(=O)CC[NH+](C)C ZINC001483380753 1078494890 /nfs/dbraw/zinc/49/48/90/1078494890.db2.gz NADNNNQEDMKLPA-DYVFJYSZSA-N 1 3 321.440 2.201 20 0 DEADHO COc1ccc(CN2CC[C@@H]2CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001579212948 1067260282 /nfs/dbraw/zinc/26/02/82/1067260282.db2.gz QTVDENKPJIPQJZ-UJJTZGENSA-N 1 3 315.461 2.142 20 0 DEADHO Cc1cc(CN2CCC([C@@H]3[NH2+]CC34CCC4)CC2)c(C)nn1 ZINC001579598441 1067381893 /nfs/dbraw/zinc/38/18/93/1067381893.db2.gz WHBKAUFFSQLEPX-KRWDZBQOSA-N 1 3 300.450 2.448 20 0 DEADHO Fc1ccc(C2(NC[C@@H]3CCC4(C[NH2+]C4)O3)CCC2)c(F)c1 ZINC001580029237 1067475285 /nfs/dbraw/zinc/47/52/85/1067475285.db2.gz IBKDBIPRWWGDEQ-ZDUSSCGKSA-N 1 3 308.372 2.455 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CCCC2CCC2)C1)N(C)C ZINC001267065800 1078541018 /nfs/dbraw/zinc/54/10/18/1078541018.db2.gz AFOTYOVAGTZTHG-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@H]1NCCc1nc(-c2ccccc2)no1 ZINC001580262418 1067545929 /nfs/dbraw/zinc/54/59/29/1067545929.db2.gz ULPJWRFYKUNJOE-HUUCEWRRSA-N 1 3 300.406 2.386 20 0 DEADHO C[C@@H]1CCC[C@@H](CC[NH2+]CCN(C)C(=O)CN2CCCC2)C1 ZINC001267081767 1078554670 /nfs/dbraw/zinc/55/46/70/1078554670.db2.gz RXSJXSHLYXEGGZ-SJORKVTESA-N 1 3 309.498 2.347 20 0 DEADHO C[NH+](C)CCC(=O)N[C@H](CNCc1ccccc1Cl)C1CC1 ZINC001483586609 1078614254 /nfs/dbraw/zinc/61/42/54/1078614254.db2.gz SNJGYLSYWGEFJJ-MRXNPFEDSA-N 1 3 323.868 2.276 20 0 DEADHO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[NH2+][C@H]2CCNC2)CC1 ZINC001573469085 1069009763 /nfs/dbraw/zinc/00/97/63/1069009763.db2.gz XPVOWJFZICBUHD-KKUMJFAQSA-N 1 3 311.470 2.269 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[NH2+]Cc1cc(C)ccc1C)N(C)C ZINC001267457232 1078864677 /nfs/dbraw/zinc/86/46/77/1078864677.db2.gz WDMWQGCTQSIHFK-KRWDZBQOSA-N 1 3 305.466 2.192 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001272448534 1078885017 /nfs/dbraw/zinc/88/50/17/1078885017.db2.gz JWVPQCTXAFYQQG-GOSISDBHSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001272448534 1078885030 /nfs/dbraw/zinc/88/50/30/1078885030.db2.gz JWVPQCTXAFYQQG-GOSISDBHSA-N 1 3 309.498 2.299 20 0 DEADHO CCC[NH+]1CCC2(CC1)c1ccccc1N(CCN(C)C)C2=O ZINC001272451872 1078886392 /nfs/dbraw/zinc/88/63/92/1078886392.db2.gz GFHSSOJMEOVXFW-UHFFFAOYSA-N 1 3 315.461 2.338 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[NH2+]CC[C@H]1CCCC1(F)F ZINC001267474266 1078896032 /nfs/dbraw/zinc/89/60/32/1078896032.db2.gz OHEGCXGEFCLYEJ-CQSZACIVSA-N 1 3 319.440 2.200 20 0 DEADHO Cc1nn(CCO)c(C)c1CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001645645356 1078947287 /nfs/dbraw/zinc/94/72/87/1078947287.db2.gz XHRRBTGSTZIMOO-UHFFFAOYSA-N 1 3 322.497 2.044 20 0 DEADHO Cc1nn(CCO)c(C)c1CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC001645645356 1078947296 /nfs/dbraw/zinc/94/72/96/1078947296.db2.gz XHRRBTGSTZIMOO-UHFFFAOYSA-N 1 3 322.497 2.044 20 0 DEADHO CN1CCN(Cc2cccc(C[NH2+]C[C@H]3CCSC3)c2)CC1 ZINC001645732805 1078975340 /nfs/dbraw/zinc/97/53/40/1078975340.db2.gz WHDYCPJKCCGVQG-GOSISDBHSA-N 1 3 319.518 2.277 20 0 DEADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]CC1CCCCC1 ZINC001369251483 1148882021 /nfs/dbraw/zinc/88/20/21/1148882021.db2.gz MVWSXEBNRRYAIS-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]CC1CCCCC1 ZINC001369251480 1148882144 /nfs/dbraw/zinc/88/21/44/1148882144.db2.gz MVWSXEBNRRYAIS-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO [NH3+]C[C@@]12CCC[C@H]1CN(CCc1nc(-c3ccccc3)no1)C2 ZINC001549115447 1073028353 /nfs/dbraw/zinc/02/83/53/1073028353.db2.gz GIXPZZWQVAPBNS-MAUKXSAKSA-N 1 3 312.417 2.340 20 0 DEADHO CC[N@H+](CCNC(=O)C1(N(C)C)CCC1)CC1CC2(CCC2)C1 ZINC001480978566 1079023492 /nfs/dbraw/zinc/02/34/92/1079023492.db2.gz DEVYGCNAWLYNMO-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)CC1CC2(CCC2)C1 ZINC001480978566 1079023499 /nfs/dbraw/zinc/02/34/99/1079023499.db2.gz DEVYGCNAWLYNMO-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO c1n[nH]cc1[C@@H]1OCCC[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001549549884 1073189436 /nfs/dbraw/zinc/18/94/36/1073189436.db2.gz RIKIDLZJQZVBGU-MXASKKJJSA-N 1 3 304.438 2.094 20 0 DEADHO c1n[nH]cc1[C@@H]1OCCC[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001549549884 1073189440 /nfs/dbraw/zinc/18/94/40/1073189440.db2.gz RIKIDLZJQZVBGU-MXASKKJJSA-N 1 3 304.438 2.094 20 0 DEADHO Cc1cc(N2CC[C@@H](N3CCN(C)CC3)C2)c2ccccc2[nH+]1 ZINC001549906849 1073327619 /nfs/dbraw/zinc/32/76/19/1073327619.db2.gz GFVUHKGPFSWLSI-MRXNPFEDSA-N 1 3 310.445 2.369 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CCCC[C@@H]3[NH3+])C2)cc1 ZINC001550100914 1073427079 /nfs/dbraw/zinc/42/70/79/1073427079.db2.gz TWDLIJCUBGYFGX-KSZLIROESA-N 1 3 315.461 2.203 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC001483794425 1079126012 /nfs/dbraw/zinc/12/60/12/1079126012.db2.gz HHPNZULQAJEXRA-UHFFFAOYSA-N 1 3 323.868 2.419 20 0 DEADHO CC1CC(C[N@@H+]2CCC[C@H]2CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001481052717 1079131764 /nfs/dbraw/zinc/13/17/64/1079131764.db2.gz OTRFMARFJBJCJN-JCYILVPMSA-N 1 3 321.509 2.488 20 0 DEADHO CC1CC(C[N@H+]2CCC[C@H]2CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001481052717 1079131769 /nfs/dbraw/zinc/13/17/69/1079131769.db2.gz OTRFMARFJBJCJN-JCYILVPMSA-N 1 3 321.509 2.488 20 0 DEADHO C[N@@H+]1CC[C@@H]2CN([C@H]3CCCN(c4ccccc4)C3=O)C[C@H]2C1 ZINC001550541221 1073710451 /nfs/dbraw/zinc/71/04/51/1073710451.db2.gz SIPOCOVMPAKHOC-NUJGCVRESA-N 1 3 313.445 2.066 20 0 DEADHO C[N@H+]1CC[C@@H]2CN([C@H]3CCCN(c4ccccc4)C3=O)C[C@H]2C1 ZINC001550541221 1073710458 /nfs/dbraw/zinc/71/04/58/1073710458.db2.gz SIPOCOVMPAKHOC-NUJGCVRESA-N 1 3 313.445 2.066 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CC1)N1CCCCC1 ZINC001481071458 1079151981 /nfs/dbraw/zinc/15/19/81/1079151981.db2.gz QQLVFJGEBCYIMU-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1CC1)N1CCCCC1 ZINC001481071458 1079151985 /nfs/dbraw/zinc/15/19/85/1079151985.db2.gz QQLVFJGEBCYIMU-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2conc2C2CC2)C1 ZINC001550701941 1073812463 /nfs/dbraw/zinc/81/24/63/1073812463.db2.gz ITZNBGODIFPUPX-BZUAXINKSA-N 1 3 305.422 2.413 20 0 DEADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3conc3C3CC3)C2)C1 ZINC001550704394 1073814636 /nfs/dbraw/zinc/81/46/36/1073814636.db2.gz YUMBQQSWWHYJJR-FVQBIDKESA-N 1 3 305.422 2.270 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@H]2Cc3ccccc3[C@@H]2[NH3+])c1 ZINC001551308839 1074158026 /nfs/dbraw/zinc/15/80/26/1074158026.db2.gz KYCRQXHJWQEIGR-ROUUACIJSA-N 1 3 324.428 2.494 20 0 DEADHO C[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@H]2O1)[C@@H]1CCCN(C2CCC2)C1 ZINC001646314909 1074410321 /nfs/dbraw/zinc/41/03/21/1074410321.db2.gz RXNOBBGHMDYLAI-CZIKEKGBSA-N 1 3 308.466 2.033 20 0 DEADHO C[C@H](NC[C@@H]1C[C@@H]2COC[C@H]2O1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001646314909 1074410325 /nfs/dbraw/zinc/41/03/25/1074410325.db2.gz RXNOBBGHMDYLAI-CZIKEKGBSA-N 1 3 308.466 2.033 20 0 DEADHO C[C@H](NC[C@@H]1C[C@@H]2COC[C@H]2O1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001646314909 1074410327 /nfs/dbraw/zinc/41/03/27/1074410327.db2.gz RXNOBBGHMDYLAI-CZIKEKGBSA-N 1 3 308.466 2.033 20 0 DEADHO C[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)[C@@H]1CCCN(C2CCC2)C1 ZINC001646314911 1074410773 /nfs/dbraw/zinc/41/07/73/1074410773.db2.gz RXNOBBGHMDYLAI-INSJMTBZSA-N 1 3 308.466 2.033 20 0 DEADHO C[C@H](NC[C@@H]1C[C@@H]2COC[C@@H]2O1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001646314911 1074410776 /nfs/dbraw/zinc/41/07/76/1074410776.db2.gz RXNOBBGHMDYLAI-INSJMTBZSA-N 1 3 308.466 2.033 20 0 DEADHO C[C@H](NC[C@@H]1C[C@@H]2COC[C@@H]2O1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001646314911 1074410780 /nfs/dbraw/zinc/41/07/80/1074410780.db2.gz RXNOBBGHMDYLAI-INSJMTBZSA-N 1 3 308.466 2.033 20 0 DEADHO Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@H]1C[C@@H](N2CCCC2)C1 ZINC001646534657 1074474520 /nfs/dbraw/zinc/47/45/20/1074474520.db2.gz TZTLWWYVPYCLAD-KSZLIROESA-N 1 3 318.461 2.260 20 0 DEADHO CN(C(=O)[C@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CCN(C)C1 ZINC001552234922 1074501551 /nfs/dbraw/zinc/50/15/51/1074501551.db2.gz STROQXXZSUJQMI-QZTJIDSGSA-N 1 3 315.461 2.029 20 0 DEADHO CC[C@H]1C[C@@H]([NH2+]Cc2cccc(CN3CCN(C)CC3)c2)CO1 ZINC001649879003 1079280099 /nfs/dbraw/zinc/28/00/99/1079280099.db2.gz PPEVUPZIKCULOR-MOPGFXCFSA-N 1 3 317.477 2.091 20 0 DEADHO C[C@@H]1CCCN(C(=O)c2cccc3c2CNC3)[C@H]1CCC[NH3+] ZINC001552440002 1074576252 /nfs/dbraw/zinc/57/62/52/1074576252.db2.gz HZXXURDTYMJQGD-DYVFJYSZSA-N 1 3 301.434 2.269 20 0 DEADHO CCC(=O)N1CC[C@@H]([NH2+]Cc2cc3c(s2)CCNC3)[C@H](C)C1 ZINC001552769949 1074652047 /nfs/dbraw/zinc/65/20/47/1074652047.db2.gz FWGRRFCJEFZSIY-IUODEOHRSA-N 1 3 321.490 2.130 20 0 DEADHO CC(C)CN(C(=O)[C@@]12CCC[C@@H]1[NH2+]CC2)C1CCN(C)CC1 ZINC001552839898 1074674733 /nfs/dbraw/zinc/67/47/33/1074674733.db2.gz XMJFJDAEYXXJNR-FUHWJXTLSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cccc2c1CNC2 ZINC001552924543 1074696677 /nfs/dbraw/zinc/69/66/77/1074696677.db2.gz DKYXFVHVYIDELX-AWEZNQCLSA-N 1 3 322.412 2.036 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H](C)NC/C=C\Cl)CC1 ZINC001369279991 1148890002 /nfs/dbraw/zinc/89/00/02/1148890002.db2.gz BLMKYUOALGZFII-BMWLXYDHSA-N 1 3 315.889 2.296 20 0 DEADHO CCN(C)C[C@@H](O)C[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC001647258896 1074859694 /nfs/dbraw/zinc/85/96/94/1074859694.db2.gz QYHMUYJLNGBUBN-OAHLLOKOSA-N 1 3 317.433 2.320 20 0 DEADHO C[C@@H]1CN(C(=O)c2ccc3c(c2)CNC3)CCN1c1cc[nH+]cc1 ZINC001647377002 1074901917 /nfs/dbraw/zinc/90/19/17/1074901917.db2.gz PKEWTIRHPCDBEX-CQSZACIVSA-N 1 3 322.412 2.036 20 0 DEADHO O=C(Nc1ccc2c(c1)C[NH2+]CC2)c1cc2c(s1)CNCC2 ZINC001647724189 1074980101 /nfs/dbraw/zinc/98/01/01/1074980101.db2.gz WSKNPBSZFFXRHO-UHFFFAOYSA-N 1 3 313.426 2.292 20 0 DEADHO COCCOc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)cc1 ZINC001560622921 1075143602 /nfs/dbraw/zinc/14/36/02/1075143602.db2.gz OSPXCLBMKUSHAF-RYQLBKOJSA-N 1 3 304.434 2.142 20 0 DEADHO CC(C)=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001565864050 1075200167 /nfs/dbraw/zinc/20/01/67/1075200167.db2.gz GIWXNIVXIFQMJF-BRWVUGGUSA-N 1 3 307.482 2.310 20 0 DEADHO Cc1cc(CN(C)CCCNC(=O)C[C@H]2CC[N@H+](C)C2)cs1 ZINC001566508982 1075265131 /nfs/dbraw/zinc/26/51/31/1075265131.db2.gz XOGNNDZGWGIRQZ-OAHLLOKOSA-N 1 3 323.506 2.336 20 0 DEADHO Cc1cc(CN(C)CCCNC(=O)C[C@H]2CC[N@@H+](C)C2)cs1 ZINC001566508982 1075265133 /nfs/dbraw/zinc/26/51/33/1075265133.db2.gz XOGNNDZGWGIRQZ-OAHLLOKOSA-N 1 3 323.506 2.336 20 0 DEADHO CN(C)C1(C(=O)N(C)CC[NH2+]CCCC2CCCC2)CCC1 ZINC001481239615 1079450956 /nfs/dbraw/zinc/45/09/56/1079450956.db2.gz UKNQCRHYCSBCPX-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCCc2cc(-c3nnn[n-]3)ccc21 ZINC001589808784 1076518557 /nfs/dbraw/zinc/51/85/57/1076518557.db2.gz FKYZFMYVKGFWSC-MLGOLLRUSA-N 1 3 314.437 2.351 20 0 DEADHO C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCCc2cc(-c3nn[n-]n3)ccc21 ZINC001589808784 1076518561 /nfs/dbraw/zinc/51/85/61/1076518561.db2.gz FKYZFMYVKGFWSC-MLGOLLRUSA-N 1 3 314.437 2.351 20 0 DEADHO CC[C@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590471552 1076636200 /nfs/dbraw/zinc/63/62/00/1076636200.db2.gz IUZZTOMXPWQQLD-WBMJQRKESA-N 1 3 314.437 2.296 20 0 DEADHO CC[C@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590471552 1076636202 /nfs/dbraw/zinc/63/62/02/1076636202.db2.gz IUZZTOMXPWQQLD-WBMJQRKESA-N 1 3 314.437 2.296 20 0 DEADHO c1cc2c(cc1-c1nnn[n-]1)CCCC[C@@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC001609022445 1077743991 /nfs/dbraw/zinc/74/39/91/1077743991.db2.gz SGDHAYIJGOCBPR-KRWDZBQOSA-N 1 3 324.432 2.144 20 0 DEADHO c1cc2c(cc1-c1nn[n-]n1)CCCC[C@@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC001609022445 1077743996 /nfs/dbraw/zinc/74/39/96/1077743996.db2.gz SGDHAYIJGOCBPR-KRWDZBQOSA-N 1 3 324.432 2.144 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccccc1C[NH3+] ZINC001650349646 1079549779 /nfs/dbraw/zinc/54/97/79/1079549779.db2.gz WIARUKDRROTRSR-DNVCBOLYSA-N 1 3 323.440 2.396 20 0 DEADHO CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001484572286 1079666404 /nfs/dbraw/zinc/66/64/04/1079666404.db2.gz WOYQPBFYZBBRMR-BRWVUGGUSA-N 1 3 309.498 2.393 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+]Cc2cc(C)ccc2OC)CC1 ZINC000067671487 1079899686 /nfs/dbraw/zinc/89/96/86/1079899686.db2.gz VBUXQMOEXVBJHD-MRXNPFEDSA-N 1 3 305.466 2.119 20 0 DEADHO CCCC[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001481502116 1079960338 /nfs/dbraw/zinc/96/03/38/1079960338.db2.gz IUILQDAPXXUNLC-KRWDZBQOSA-N 1 3 309.498 2.299 20 0 DEADHO CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001481502116 1079960341 /nfs/dbraw/zinc/96/03/41/1079960341.db2.gz IUILQDAPXXUNLC-KRWDZBQOSA-N 1 3 309.498 2.299 20 0 DEADHO CN(CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCCF)C1)CC(C)(C)C ZINC001656346480 1080080793 /nfs/dbraw/zinc/08/07/93/1080080793.db2.gz ZMPFOGDQHWYDOL-LSDHHAIUSA-N 1 3 315.477 2.198 20 0 DEADHO CCCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001656448765 1080093750 /nfs/dbraw/zinc/09/37/50/1080093750.db2.gz VABRUCMYQLUEPV-GDBMZVCRSA-N 1 3 306.454 2.359 20 0 DEADHO CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001279281372 1080173446 /nfs/dbraw/zinc/17/34/46/1080173446.db2.gz HANIFPVUXJKNHM-ULQDDVLXSA-N 1 3 309.498 2.250 20 0 DEADHO CC(C)[C@@H](CCN(C)C(=O)CN1CCC(C)CC1)[NH2+]CCF ZINC001485440627 1080208076 /nfs/dbraw/zinc/20/80/76/1080208076.db2.gz WEARMHNTYMFVGP-MRXNPFEDSA-N 1 3 315.477 2.151 20 0 DEADHO CC(C)CCC[N@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001485767138 1080423538 /nfs/dbraw/zinc/42/35/38/1080423538.db2.gz OVFUBSRYTJZKQJ-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)CCC[N@@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001485767138 1080423543 /nfs/dbraw/zinc/42/35/43/1080423543.db2.gz OVFUBSRYTJZKQJ-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+]CCC(C)(C)C)C2)CCC1 ZINC001662641181 1080626211 /nfs/dbraw/zinc/62/62/11/1080626211.db2.gz PGVDULMHBBXNIS-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](C(=O)N[C@@](C)(C[NH2+]CCF)C1CC1)N1CCCCCC1 ZINC001481945162 1080634856 /nfs/dbraw/zinc/63/48/56/1080634856.db2.gz WUKOYQADMLMQRG-YOEHRIQHSA-N 1 3 313.461 2.095 20 0 DEADHO CN(C)C1(C(=O)NC/C=C/C[NH2+]CC2CC3(CCC3)C2)CCC1 ZINC001268548936 1080745334 /nfs/dbraw/zinc/74/53/34/1080745334.db2.gz BLGFWNGDDQFNOJ-ONEGZZNKSA-N 1 3 319.493 2.313 20 0 DEADHO CC1CC(C[NH2+]CCN(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001664391399 1080903885 /nfs/dbraw/zinc/90/38/85/1080903885.db2.gz LADZROFZBUZVNQ-UHFFFAOYSA-N 1 3 317.477 2.456 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1csc(C)c1 ZINC001664395443 1080904658 /nfs/dbraw/zinc/90/46/58/1080904658.db2.gz RBPPZWXYVYIRME-MRXNPFEDSA-N 1 3 323.506 2.479 20 0 DEADHO C[C@H](C[NH2+]CCc1ccccc1)NC(=O)C(C)(C)N1CCCC1 ZINC001268657269 1080920216 /nfs/dbraw/zinc/92/02/16/1080920216.db2.gz OTESFZCZYXHEGC-MRXNPFEDSA-N 1 3 317.477 2.198 20 0 DEADHO CCCCC[NH2+]C[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001268661862 1080921540 /nfs/dbraw/zinc/92/15/40/1080921540.db2.gz MVUNRFOWYYWVNM-PBHICJAKSA-N 1 3 315.477 2.483 20 0 DEADHO C[C@@H](C[NH2+]C/C=C/Cl)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001268704468 1080942763 /nfs/dbraw/zinc/94/27/63/1080942763.db2.gz DSTLZWGZMXCKEW-SPYVTISKSA-N 1 3 319.852 2.046 20 0 DEADHO Cc1cccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCCN2C)c1 ZINC001268784579 1080990222 /nfs/dbraw/zinc/99/02/22/1080990222.db2.gz YGXLELPXGXYFHE-QGZVFWFLSA-N 1 3 303.450 2.027 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]CCCN(C)C(=O)CN(C)C(C)C ZINC001268959118 1081059097 /nfs/dbraw/zinc/05/90/97/1081059097.db2.gz VGJIVSNRFPEZDZ-UHFFFAOYSA-N 1 3 323.456 2.412 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CC[C@H](C)F)CCCC1 ZINC001482236157 1081324644 /nfs/dbraw/zinc/32/46/44/1081324644.db2.gz FZUOCHZBYJFZPP-LBPRGKRZSA-N 1 3 310.417 2.027 20 0 DEADHO Cc1ccccc1C[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)N(C)C ZINC001669150515 1081432802 /nfs/dbraw/zinc/43/28/02/1081432802.db2.gz IVBLMGLOAIUWRQ-CNZFZVQHSA-N 1 3 317.477 2.343 20 0 DEADHO Cc1ccccc1C[NH2+]C/C=C/CNC(=O)[C@H](C(C)C)N(C)C ZINC001669150514 1081432914 /nfs/dbraw/zinc/43/29/14/1081432914.db2.gz IVBLMGLOAIUWRQ-BLGFXRMMSA-N 1 3 317.477 2.343 20 0 DEADHO CC[NH+](CC)CCO[C@@H]1CCN(CCC(=O)OC(C)(C)C)C1 ZINC001363193830 1081443203 /nfs/dbraw/zinc/44/32/03/1081443203.db2.gz BGJKBNGHKCCPQM-OAHLLOKOSA-N 1 3 314.470 2.151 20 0 DEADHO CC/C=C/CC[NH2+]C[C@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001270263517 1081489085 /nfs/dbraw/zinc/48/90/85/1081489085.db2.gz NTHSRZVSTJUXAC-XPQDNOAISA-N 1 3 307.482 2.265 20 0 DEADHO Cc1ccc(C[NH2+]CCCN(C)C(=O)CN2CC[C@@H](C)C2)cc1 ZINC001670246245 1081505017 /nfs/dbraw/zinc/50/50/17/1081505017.db2.gz SQCCYPPQGCSUIX-QGZVFWFLSA-N 1 3 317.477 2.275 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CCC[NH2+]Cc1cccc(F)c1 ZINC001670358004 1081512276 /nfs/dbraw/zinc/51/22/76/1081512276.db2.gz YZYOTMKIBUWBBU-UHFFFAOYSA-N 1 3 309.429 2.104 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@](C)(C[NH2+]C/C=C/Cl)C1)N(C)C ZINC001270744335 1081620290 /nfs/dbraw/zinc/62/02/90/1081620290.db2.gz LPACFVJKAYQFGW-AFDQWNBZSA-N 1 3 315.889 2.153 20 0 DEADHO C[N@H+](CCCCCF)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001674495844 1081881778 /nfs/dbraw/zinc/88/17/78/1081881778.db2.gz PDTFDFXLJFLHHW-MRXNPFEDSA-N 1 3 313.461 2.145 20 0 DEADHO C[N@@H+](CCCCCF)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001674495844 1081881783 /nfs/dbraw/zinc/88/17/83/1081881783.db2.gz PDTFDFXLJFLHHW-MRXNPFEDSA-N 1 3 313.461 2.145 20 0 DEADHO CC(C)C[C@H](CNC(=O)c1cc2c(s1)CNCC2)[NH+](C)C ZINC001648964471 1081959280 /nfs/dbraw/zinc/95/92/80/1081959280.db2.gz QSDTYEXRMDIVPA-CYBMUJFWSA-N 1 3 309.479 2.100 20 0 DEADHO CC(C)=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001266451774 1082045374 /nfs/dbraw/zinc/04/53/74/1082045374.db2.gz GVDABJPHMSHULB-IAGOWNOFSA-N 1 3 307.482 2.217 20 0 DEADHO CC(C)=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001266451774 1082045383 /nfs/dbraw/zinc/04/53/83/1082045383.db2.gz GVDABJPHMSHULB-IAGOWNOFSA-N 1 3 307.482 2.217 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CCC1CC1 ZINC001271566016 1082083243 /nfs/dbraw/zinc/08/32/43/1082083243.db2.gz LQBGHVFLSSYJPE-DLBZAZTESA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@@H]1CC[NH2+]CCCF)N(C)C ZINC001271577736 1082084704 /nfs/dbraw/zinc/08/47/04/1082084704.db2.gz VDXKAWNGHYRAMR-CABCVRRESA-N 1 3 301.450 2.047 20 0 DEADHO C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C[NH2+]CCF ZINC001271712614 1082116302 /nfs/dbraw/zinc/11/63/02/1082116302.db2.gz SMCUHBWJLMYXQM-YOEHRIQHSA-N 1 3 321.440 2.015 20 0 DEADHO C[C@H](CC[NH2+]C/C=C/Cl)NC(=O)C(C)(C)N1CCCCC1 ZINC001482833373 1082524236 /nfs/dbraw/zinc/52/42/36/1082524236.db2.gz LVXAECHDBYRNMB-RCQQVGEISA-N 1 3 315.889 2.488 20 0 DEADHO CC(C)[NH2+]CC[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001482875568 1082540596 /nfs/dbraw/zinc/54/05/96/1082540596.db2.gz VNXAFGTWGOFOGA-CZUORRHYSA-N 1 3 301.450 2.092 20 0 DEADHO CCN(CC[NH2+]Cc1ccc(C)cc1)C(=O)C1(N(C)C)CCC1 ZINC001482932283 1082561760 /nfs/dbraw/zinc/56/17/60/1082561760.db2.gz XASVCZUAWPRALT-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO CC[C@H](C(=O)NC/C=C\C[NH2+][C@H]1CCc2ccccc21)N(C)C ZINC001483024646 1082628134 /nfs/dbraw/zinc/62/81/34/1082628134.db2.gz WLWJTTQBRCACME-MZIIKBMYSA-N 1 3 315.461 2.276 20 0 DEADHO CC[C@@H](C(=O)NC1CC(C[NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001409300145 1082751024 /nfs/dbraw/zinc/75/10/24/1082751024.db2.gz WZKUDIVXSJHXDK-BCLQGDPASA-N 1 3 309.498 2.247 20 0 DEADHO Cc1cccc(Cl)c1CNC[C@H](C)NC(=O)CC[NH+](C)C ZINC001483261475 1083062068 /nfs/dbraw/zinc/06/20/68/1083062068.db2.gz AHQRNXPBZIEDAW-ZDUSSCGKSA-N 1 3 311.857 2.194 20 0 DEADHO C[NH+](C)CC[C@H](NCc1ccc(OCC(N)=O)cc1)C(C)(C)C ZINC001413123525 1083374916 /nfs/dbraw/zinc/37/49/16/1083374916.db2.gz MOJRBKUJHHZUAP-INIZCTEOSA-N 1 3 321.465 2.007 20 0 DEADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC1CC1)CC2)N(C)C ZINC001107450090 1083403425 /nfs/dbraw/zinc/40/34/25/1083403425.db2.gz BQQRWLOAMKCRDP-ZHALLVOQSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC1CC1)CC2)N(C)C ZINC001107450090 1083403430 /nfs/dbraw/zinc/40/34/30/1083403430.db2.gz BQQRWLOAMKCRDP-ZHALLVOQSA-N 1 3 321.509 2.488 20 0 DEADHO CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC001107485202 1083426845 /nfs/dbraw/zinc/42/68/45/1083426845.db2.gz OWIIJRHNDZMCCE-ZHALLVOQSA-N 1 3 319.493 2.242 20 0 DEADHO CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC001107485202 1083426849 /nfs/dbraw/zinc/42/68/49/1083426849.db2.gz OWIIJRHNDZMCCE-ZHALLVOQSA-N 1 3 319.493 2.242 20 0 DEADHO c1n[nH]cc1CN1CCC2(C1)CC[NH+](C[C@H]1CCCCO1)CC2 ZINC001276444252 1083437672 /nfs/dbraw/zinc/43/76/72/1083437672.db2.gz QWJWOYUEUOAVAG-QGZVFWFLSA-N 1 3 318.465 2.267 20 0 DEADHO CC[NH+]1CCC(CN2C[C@@H]3CN(C4CCCC4)C[C@H](C2)O3)CC1 ZINC001276496662 1083469968 /nfs/dbraw/zinc/46/99/68/1083469968.db2.gz IXKYUQCWIOREFG-KDURUIRLSA-N 1 3 321.509 2.046 20 0 DEADHO Cc1cncc(CN2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)c1 ZINC001276624449 1083520813 /nfs/dbraw/zinc/52/08/13/1083520813.db2.gz YCXLEMXCNPXQPW-UHFFFAOYSA-N 1 3 316.493 2.240 20 0 DEADHO Cc1cncc(CN2CCC3(CC[N@H+](CCN(C)C)C3)CC2)c1 ZINC001276624449 1083520822 /nfs/dbraw/zinc/52/08/22/1083520822.db2.gz YCXLEMXCNPXQPW-UHFFFAOYSA-N 1 3 316.493 2.240 20 0 DEADHO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2Cc1cccc2cccnc21 ZINC001276783946 1083610234 /nfs/dbraw/zinc/61/02/34/1083610234.db2.gz WBMUPEXGOAFZIV-KDURUIRLSA-N 1 3 324.472 2.445 20 0 DEADHO C[NH+](C)CCN1CCC2(CN(Cc3cnc4ccccc4c3)C2)C1 ZINC001276791628 1083613101 /nfs/dbraw/zinc/61/31/01/1083613101.db2.gz ZZOHYZKZHPSKFA-UHFFFAOYSA-N 1 3 324.472 2.304 20 0 DEADHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(Cc1ccc(C(C)(C)C)[nH]1)C2 ZINC001276805009 1083622096 /nfs/dbraw/zinc/62/20/96/1083622096.db2.gz PJQHROMEKGYFMT-WBVHZDCISA-N 1 3 318.509 2.380 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001277092810 1083770899 /nfs/dbraw/zinc/77/08/99/1083770899.db2.gz NSZNKWZRYPEOOQ-QAQDUYKDSA-N 1 3 307.482 2.311 20 0 DEADHO NC(=O)[C@H]1CCC2(C1)CC[NH+](CCCN1CCCCC1)CC2 ZINC001277182248 1083833402 /nfs/dbraw/zinc/83/34/02/1083833402.db2.gz AZMGJDGHNZSFEJ-INIZCTEOSA-N 1 3 307.482 2.230 20 0 DEADHO CN(C)CC[N@@H+]1CCC2(CN(Cc3cccc4c3CCC4)C2)C1 ZINC001277479342 1083995266 /nfs/dbraw/zinc/99/52/66/1083995266.db2.gz RUTJKJTYYLZLCW-UHFFFAOYSA-N 1 3 313.489 2.245 20 0 DEADHO CN(C)CC[N@H+]1CCC2(CN(Cc3cccc4c3CCC4)C2)C1 ZINC001277479342 1083995275 /nfs/dbraw/zinc/99/52/75/1083995275.db2.gz RUTJKJTYYLZLCW-UHFFFAOYSA-N 1 3 313.489 2.245 20 0 DEADHO CC1([NH+]2CCC2)CCC(NC(=O)c2cccc3c2CNC3)CC1 ZINC001649086994 1084103196 /nfs/dbraw/zinc/10/31/96/1084103196.db2.gz RKXSTNSJMXDVPF-UHFFFAOYSA-N 1 3 313.445 2.427 20 0 DEADHO [NH3+]C[C@]1(O)CCCN(Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC001205249343 1084145703 /nfs/dbraw/zinc/14/57/03/1084145703.db2.gz WMJHUGGVNOMOOB-HNNXBMFYSA-N 1 3 318.339 2.103 20 0 DEADHO CCN(C(=O)[C@H]1CC12CN(CCC1CC[NH+](C)CC1)C2)C(C)C ZINC001277839638 1084170616 /nfs/dbraw/zinc/17/06/16/1084170616.db2.gz WJKJUKXIERKSCO-QGZVFWFLSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[C@H](C(=O)N(C)[C@H](C[NH2+]C/C=C\Cl)C1CC1)N(C)C ZINC001485832569 1084194801 /nfs/dbraw/zinc/19/48/01/1084194801.db2.gz OICVIHNZSWVJLL-AJNJCKRNSA-N 1 3 315.889 2.152 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001491294131 1084219568 /nfs/dbraw/zinc/21/95/68/1084219568.db2.gz BHIJOEJBPVYLPA-NVXWUHKLSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001491294131 1084219576 /nfs/dbraw/zinc/21/95/76/1084219576.db2.gz BHIJOEJBPVYLPA-NVXWUHKLSA-N 1 3 309.498 2.345 20 0 DEADHO CCC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C ZINC001491335077 1084240444 /nfs/dbraw/zinc/24/04/44/1084240444.db2.gz CBGLLIQQWJYQPZ-NOYYAMGISA-N 1 3 321.509 2.365 20 0 DEADHO CCC/C=C\CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C ZINC001491335077 1084240453 /nfs/dbraw/zinc/24/04/53/1084240453.db2.gz CBGLLIQQWJYQPZ-NOYYAMGISA-N 1 3 321.509 2.365 20 0 DEADHO CN(C)[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CCCC1CCC1)C1CC1 ZINC001235352840 1084402523 /nfs/dbraw/zinc/40/25/23/1084402523.db2.gz CHFIEBFHDVIQEA-QZTJIDSGSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)[C@@H](C(=O)N(C)C[C@H]1CC[N@H+]1CCCC1CCC1)C1CC1 ZINC001235352840 1084402530 /nfs/dbraw/zinc/40/25/30/1084402530.db2.gz CHFIEBFHDVIQEA-QZTJIDSGSA-N 1 3 321.509 2.440 20 0 DEADHO CCOC(=O)c1ccc(CCCN2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1 ZINC001235959391 1084571512 /nfs/dbraw/zinc/57/15/12/1084571512.db2.gz PHNPYQRGYOAMFA-BCDXTJNWSA-N 1 3 316.445 2.465 20 0 DEADHO CCOc1cc(CN2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c(F)cn1 ZINC001277977096 1084579176 /nfs/dbraw/zinc/57/91/76/1084579176.db2.gz FVOJUNFQFXPILO-OKILXGFUSA-N 1 3 307.413 2.393 20 0 DEADHO CCOc1cc(CN2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c(F)cn1 ZINC001277977096 1084579184 /nfs/dbraw/zinc/57/91/84/1084579184.db2.gz FVOJUNFQFXPILO-OKILXGFUSA-N 1 3 307.413 2.393 20 0 DEADHO CCCCOc1ccc(CN2CCC[C@H](N3CC([NH3+])C3)C2)cc1 ZINC001236072290 1084602923 /nfs/dbraw/zinc/60/29/23/1084602923.db2.gz FZGDLXLSRUERKT-SFHVURJKSA-N 1 3 317.477 2.473 20 0 DEADHO CN(CCN1CC[NH2+]CC1)Cc1cccc(OC(C)(C)C)c1 ZINC001236080570 1084608807 /nfs/dbraw/zinc/60/88/07/1084608807.db2.gz GGUWDIVHSDQERZ-UHFFFAOYSA-N 1 3 305.466 2.201 20 0 DEADHO CC(C)[NH2+][C@H](C)CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001485921664 1084987820 /nfs/dbraw/zinc/98/78/20/1084987820.db2.gz BWKWOMRUFQSDQJ-CJNGLKHVSA-N 1 3 301.450 2.044 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC2CC(C)(C)C2)C[C@@H]1C ZINC001486131588 1085080050 /nfs/dbraw/zinc/08/00/50/1085080050.db2.gz WJKOBQWXTWAISS-HOCLYGCPSA-N 1 3 309.498 2.343 20 0 DEADHO CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC000961412563 1085722886 /nfs/dbraw/zinc/72/28/86/1085722886.db2.gz SQQVBHBFGMBNOD-AEFFLSMTSA-N 1 3 321.509 2.299 20 0 DEADHO CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC000961412563 1085722895 /nfs/dbraw/zinc/72/28/95/1085722895.db2.gz SQQVBHBFGMBNOD-AEFFLSMTSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC1 ZINC001085196607 1086061023 /nfs/dbraw/zinc/06/10/23/1086061023.db2.gz HACSYHAERWDQQE-BRWVUGGUSA-N 1 3 307.482 2.286 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC2CC(C[NH2+]CC3CC(C)(C)C3)C2)C1 ZINC000962308166 1086061180 /nfs/dbraw/zinc/06/11/80/1086061180.db2.gz AFDFLEHVHDIFNF-HPUBIQBYSA-N 1 3 321.509 2.249 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+]C/C=C\c1ccccc1 ZINC001128527683 1086180749 /nfs/dbraw/zinc/18/07/49/1086180749.db2.gz BUCJDQAESVQODC-SDMNGIDPSA-N 1 3 321.440 2.086 20 0 DEADHO CC(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1CN(C)C ZINC000962780582 1086233941 /nfs/dbraw/zinc/23/39/41/1086233941.db2.gz SUWWXPWVECAYHE-PIIMJCKOSA-N 1 3 315.461 2.064 20 0 DEADHO CC(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1CN(C)C ZINC000962780582 1086233950 /nfs/dbraw/zinc/23/39/50/1086233950.db2.gz SUWWXPWVECAYHE-PIIMJCKOSA-N 1 3 315.461 2.064 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1ccc2c(c1)CCC2 ZINC001168756421 1086522289 /nfs/dbraw/zinc/52/22/89/1086522289.db2.gz YLOBZZNLUZXDQT-UHFFFAOYSA-N 1 3 317.477 2.113 20 0 DEADHO CC(C)C[NH2+]C1CCC(N(C)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000963901941 1086592565 /nfs/dbraw/zinc/59/25/65/1086592565.db2.gz DDKJWHJOQDIXLF-KLAILNCOSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N(C)C1CCC([NH2+]CC2CC2)CC1 ZINC000963908330 1086594636 /nfs/dbraw/zinc/59/46/36/1086594636.db2.gz RGKSREHHRAJUTO-ODIFPOPNSA-N 1 3 307.482 2.240 20 0 DEADHO CN(C)CCN1CC[C@@]2(CC[N@H+](CCC3CCCC3)C2)C1=O ZINC001273166151 1087130862 /nfs/dbraw/zinc/13/08/62/1087130862.db2.gz IGBNZHXGSNBPGP-GOSISDBHSA-N 1 3 307.482 2.053 20 0 DEADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](CCC3CCCC3)C2)C1=O ZINC001273166151 1087130870 /nfs/dbraw/zinc/13/08/70/1087130870.db2.gz IGBNZHXGSNBPGP-GOSISDBHSA-N 1 3 307.482 2.053 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1C ZINC001079806450 1088426435 /nfs/dbraw/zinc/42/64/35/1088426435.db2.gz HICNEDMBIXEMCK-ZACQAIPSSA-N 1 3 307.482 2.264 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC=C(C)C)C[C@H]1C ZINC001079806450 1088426441 /nfs/dbraw/zinc/42/64/41/1088426441.db2.gz HICNEDMBIXEMCK-ZACQAIPSSA-N 1 3 307.482 2.264 20 0 DEADHO Cc1cccc(C)c1CN1CC2(C1)CC[N@@H+](CCN(C)C)C2 ZINC001276362985 1089695616 /nfs/dbraw/zinc/69/56/16/1089695616.db2.gz QMGBLYABGWHZKD-UHFFFAOYSA-N 1 3 301.478 2.373 20 0 DEADHO Cc1cccc(C)c1CN1CC2(C1)CC[N@H+](CCN(C)C)C2 ZINC001276362985 1089695625 /nfs/dbraw/zinc/69/56/25/1089695625.db2.gz QMGBLYABGWHZKD-UHFFFAOYSA-N 1 3 301.478 2.373 20 0 DEADHO CC1CC(C[NH2+]C[C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC000960021332 1089910238 /nfs/dbraw/zinc/91/02/38/1089910238.db2.gz BGKNJSOLGJUHBW-HTWSVDAQSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1)N(C)C ZINC000960044354 1089922732 /nfs/dbraw/zinc/92/27/32/1089922732.db2.gz QWRBDWCDMHDIKQ-ZWKOTPCHSA-N 1 3 317.477 2.498 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCC2)C1 ZINC001082943389 1090109419 /nfs/dbraw/zinc/10/94/19/1090109419.db2.gz GYJRTGLIIXGJAU-DJIMGWMZSA-N 1 3 307.482 2.097 20 0 DEADHO CCCN1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC001084475332 1090309438 /nfs/dbraw/zinc/30/94/38/1090309438.db2.gz JGGKAOXVLQBZCV-BRWVUGGUSA-N 1 3 307.482 2.050 20 0 DEADHO CCCN1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)[C@@H]2C1 ZINC001084475332 1090309444 /nfs/dbraw/zinc/30/94/44/1090309444.db2.gz JGGKAOXVLQBZCV-BRWVUGGUSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](C(C)C)C[C@H]21 ZINC001084701730 1090402364 /nfs/dbraw/zinc/40/23/64/1090402364.db2.gz PCRXQGVCIBWFJC-BRWVUGGUSA-N 1 3 307.482 2.190 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](C(C)C)C[C@H]21 ZINC001084701730 1090402365 /nfs/dbraw/zinc/40/23/65/1090402365.db2.gz PCRXQGVCIBWFJC-BRWVUGGUSA-N 1 3 307.482 2.190 20 0 DEADHO CCCN1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084853371 1090476669 /nfs/dbraw/zinc/47/66/69/1090476669.db2.gz LDOWOTHOYQOXGE-KZNAEPCWSA-N 1 3 321.509 2.440 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)C[C@@H]21 ZINC001084938859 1090530572 /nfs/dbraw/zinc/53/05/72/1090530572.db2.gz IGINEWCWNWCRQV-ZACQAIPSSA-N 1 3 307.482 2.192 20 0 DEADHO CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)C[C@@H]21 ZINC001084938859 1090530576 /nfs/dbraw/zinc/53/05/76/1090530576.db2.gz IGINEWCWNWCRQV-ZACQAIPSSA-N 1 3 307.482 2.192 20 0 DEADHO CN1CC[C@@]2(CCC[N@H+](Cc3cc4cnccc4[nH]3)CC2)C1=O ZINC001274267266 1091158345 /nfs/dbraw/zinc/15/83/45/1091158345.db2.gz COHFVNQHIXTORV-GOSISDBHSA-N 1 3 312.417 2.397 20 0 DEADHO CN1CC[C@@]2(CCC[N@@H+](Cc3cc4cnccc4[nH]3)CC2)C1=O ZINC001274267266 1091158350 /nfs/dbraw/zinc/15/83/50/1091158350.db2.gz COHFVNQHIXTORV-GOSISDBHSA-N 1 3 312.417 2.397 20 0 DEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H]1CCCN1C(C)C ZINC001412191787 1091215879 /nfs/dbraw/zinc/21/58/79/1091215879.db2.gz OQEPMYWLVFLCGA-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO C(CN1C[C@@H]2CN(C3CCCC3)C[C@H](C1)O2)C[NH+]1CCCCC1 ZINC001276049064 1091485960 /nfs/dbraw/zinc/48/59/60/1091485960.db2.gz OXKBNGIURLRTML-KDURUIRLSA-N 1 3 321.509 2.190 20 0 DEADHO CCC[C@@H](C)C[N@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001275074615 1091542918 /nfs/dbraw/zinc/54/29/18/1091542918.db2.gz SKQSOIKNYGANBS-ZACQAIPSSA-N 1 3 309.498 2.155 20 0 DEADHO CCC[C@@H](C)C[N@@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001275074615 1091542921 /nfs/dbraw/zinc/54/29/21/1091542921.db2.gz SKQSOIKNYGANBS-ZACQAIPSSA-N 1 3 309.498 2.155 20 0 DEADHO CCCC[C@@H](CC)CN1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001275077322 1091545570 /nfs/dbraw/zinc/54/55/70/1091545570.db2.gz RFXFSBVIAPZDNX-KURKYZTESA-N 1 3 311.514 2.149 20 0 DEADHO CN(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(CCC(F)(F)F)C2 ZINC001275165074 1091593082 /nfs/dbraw/zinc/59/30/82/1091593082.db2.gz XLYTWLOGJUXBEC-AWEZNQCLSA-N 1 3 307.404 2.288 20 0 DEADHO CN(C)CC[N@H+]1CC[C@@]2(C1)CCCN(CCC(F)(F)F)C2 ZINC001275165074 1091593091 /nfs/dbraw/zinc/59/30/91/1091593091.db2.gz XLYTWLOGJUXBEC-AWEZNQCLSA-N 1 3 307.404 2.288 20 0 DEADHO C[C@@H](CC[NH+](C)C)C(=O)N(CCN(C)C)Cc1cccs1 ZINC001412635756 1091617330 /nfs/dbraw/zinc/61/73/30/1091617330.db2.gz CNFNZMQFQOTAKW-AWEZNQCLSA-N 1 3 311.495 2.226 20 0 DEADHO Cc1c(F)cccc1CN1CC[C@H]2[C@@H]1CC[N@H+]2CCN(C)C ZINC001276171315 1091631608 /nfs/dbraw/zinc/63/16/08/1091631608.db2.gz KBTJPFCMLXWOJU-ROUUACIJSA-N 1 3 305.441 2.344 20 0 DEADHO Cc1c(F)cccc1CN1CC[C@H]2[C@@H]1CC[N@@H+]2CCN(C)C ZINC001276171315 1091631614 /nfs/dbraw/zinc/63/16/14/1091631614.db2.gz KBTJPFCMLXWOJU-ROUUACIJSA-N 1 3 305.441 2.344 20 0 DEADHO C[N@@H+]1CCC2(C1)CCN(Cc1ccc3c(c1)OCCO3)CC2 ZINC001276204345 1091686769 /nfs/dbraw/zinc/68/67/69/1091686769.db2.gz XSEFJCGWKFBXNX-UHFFFAOYSA-N 1 3 302.418 2.376 20 0 DEADHO C[N@H+]1CCC2(C1)CCN(Cc1ccc3c(c1)OCCO3)CC2 ZINC001276204345 1091686771 /nfs/dbraw/zinc/68/67/71/1091686771.db2.gz XSEFJCGWKFBXNX-UHFFFAOYSA-N 1 3 302.418 2.376 20 0 DEADHO COc1ccsc1CN1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001275449745 1091757587 /nfs/dbraw/zinc/75/75/87/1091757587.db2.gz LOOQFRVXGVKTCQ-UHFFFAOYSA-N 1 3 323.506 2.216 20 0 DEADHO Cn1ccc(CN2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)n1 ZINC001276274104 1091758419 /nfs/dbraw/zinc/75/84/19/1091758419.db2.gz RTPZDGUSJARVOG-IYBDPMFKSA-N 1 3 313.449 2.092 20 0 DEADHO Cn1ccc(CN2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)n1 ZINC001276274104 1091758429 /nfs/dbraw/zinc/75/84/29/1091758429.db2.gz RTPZDGUSJARVOG-IYBDPMFKSA-N 1 3 313.449 2.092 20 0 DEADHO CC1CCN(CC(=O)N(C)[C@@H]2CCC[N@H+](CC3CC3)CC2)CC1 ZINC000948886045 1091981305 /nfs/dbraw/zinc/98/13/05/1091981305.db2.gz HUCVQHLAUPEVQN-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CC1CCN(CC(=O)N(C)[C@@H]2CCC[N@@H+](CC3CC3)CC2)CC1 ZINC000948886045 1091981317 /nfs/dbraw/zinc/98/13/17/1091981317.db2.gz HUCVQHLAUPEVQN-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C[C@@H]1CCN1CCCc1ccccc1)C(=O)CC[NH+](C)C ZINC001488656669 1092671598 /nfs/dbraw/zinc/67/15/98/1092671598.db2.gz YWAYOERPQMJQOA-SFHVURJKSA-N 1 3 317.477 2.104 20 0 DEADHO C[C@@H](F)CCN1CC[C@@H]1CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001488698892 1092695060 /nfs/dbraw/zinc/69/50/60/1092695060.db2.gz MCGFUQNFAHTILI-HZPDHXFCSA-N 1 3 313.461 2.143 20 0 DEADHO CN(CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1)C1CCC1 ZINC001488742754 1092751832 /nfs/dbraw/zinc/75/18/32/1092751832.db2.gz XLSVZSVSYOHCCO-GASCZTMLSA-N 1 3 321.490 2.217 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)C3CCC3)C(C)(C)[C@@H]21 ZINC001489087896 1092940404 /nfs/dbraw/zinc/94/04/04/1092940404.db2.gz SSONLIVJIOJAHS-KBAYOESNSA-N 1 3 321.509 2.486 20 0 DEADHO CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)C3CCC3)C(C)(C)[C@@H]21 ZINC001489087896 1092940410 /nfs/dbraw/zinc/94/04/10/1092940410.db2.gz SSONLIVJIOJAHS-KBAYOESNSA-N 1 3 321.509 2.486 20 0 DEADHO CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCCC1 ZINC001490805375 1093611698 /nfs/dbraw/zinc/61/16/98/1093611698.db2.gz NXFQLMHNYYRVHG-CALCHBBNSA-N 1 3 307.482 2.338 20 0 DEADHO COC(=O)[C@H]1C[N@H+](CCc2ccc(C(C)C)cc2)CC[C@@H]1N ZINC001236410521 1138359573 /nfs/dbraw/zinc/35/95/73/1138359573.db2.gz FSKLSUWVOSSRIQ-IRXDYDNUSA-N 1 3 304.434 2.175 20 0 DEADHO COC(=O)[C@H]1C[N@@H+](CCc2ccc(C(C)C)cc2)CC[C@@H]1N ZINC001236410521 1138359574 /nfs/dbraw/zinc/35/95/74/1138359574.db2.gz FSKLSUWVOSSRIQ-IRXDYDNUSA-N 1 3 304.434 2.175 20 0 DEADHO CC(C)C[N@H+](C[C@H]1[C@@H](C)CNCC1(F)F)[C@@H]1CCCNC1 ZINC001236472630 1138366854 /nfs/dbraw/zinc/36/68/54/1138366854.db2.gz AGVFQRMAUVQXRD-ZNMIVQPWSA-N 1 3 303.441 2.187 20 0 DEADHO CC(C)C[N@@H+](C[C@H]1[C@@H](C)CNCC1(F)F)[C@@H]1CCCNC1 ZINC001236472630 1138366859 /nfs/dbraw/zinc/36/68/59/1138366859.db2.gz AGVFQRMAUVQXRD-ZNMIVQPWSA-N 1 3 303.441 2.187 20 0 DEADHO C[C@@H]1CNCC(F)(F)[C@@H]1C[N@H+](C1CCC1)C1CCNCC1 ZINC001236634986 1138388191 /nfs/dbraw/zinc/38/81/91/1138388191.db2.gz ZRYKCCIEJOPAMP-IUODEOHRSA-N 1 3 301.425 2.084 20 0 DEADHO C[C@@H]1CNCC(F)(F)[C@@H]1C[N@@H+](C1CCC1)C1CCNCC1 ZINC001236634986 1138388193 /nfs/dbraw/zinc/38/81/93/1138388193.db2.gz ZRYKCCIEJOPAMP-IUODEOHRSA-N 1 3 301.425 2.084 20 0 DEADHO CCOC(=O)[C@H]1CN(Cc2ccc(C)c(F)c2)CCC12C[NH2+]C2 ZINC001237432496 1138622552 /nfs/dbraw/zinc/62/25/52/1138622552.db2.gz YLLQQZVYZXITIR-OAHLLOKOSA-N 1 3 320.408 2.109 20 0 DEADHO O=C(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)Nc1cccc(Cl)c1 ZINC001239218281 1138990414 /nfs/dbraw/zinc/99/04/14/1138990414.db2.gz XVWBZRVXVOQELS-AWEZNQCLSA-N 1 3 322.840 2.336 20 0 DEADHO Cc1cccc(NC(=S)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)c1 ZINC001239364227 1139029637 /nfs/dbraw/zinc/02/96/37/1139029637.db2.gz UJCLTVOMOLETCJ-HNNXBMFYSA-N 1 3 318.490 2.156 20 0 DEADHO CC(C)N1CCN(c2ccc(-c3cncc(C[NH3+])c3)cn2)CC1 ZINC001239796992 1139118726 /nfs/dbraw/zinc/11/87/26/1139118726.db2.gz KJRATUXFJBYXNW-UHFFFAOYSA-N 1 3 311.433 2.133 20 0 DEADHO CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001278326748 1139759874 /nfs/dbraw/zinc/75/98/74/1139759874.db2.gz URJFGWGIHMIBJE-MBZYTVFJSA-N 1 3 307.482 2.408 20 0 DEADHO CN1CCC=C(c2ccccc2NC(=O)NC2CC[NH2+]CC2)C1 ZINC001241569981 1139828910 /nfs/dbraw/zinc/82/89/10/1139828910.db2.gz FFFZTPZNEYFMSG-UHFFFAOYSA-N 1 3 314.433 2.279 20 0 DEADHO CC(C)c1ccc(OC[C@@H](O)CNC[C@@H]2CCC[NH2+]C2)cc1 ZINC001245983685 1140841213 /nfs/dbraw/zinc/84/12/13/1140841213.db2.gz UEOXICAPJCOGQO-WBVHZDCISA-N 1 3 306.450 2.139 20 0 DEADHO O[C@]1(CNCCc2ccc(CCc3ccccc3)cc2)CC[NH2+]C1 ZINC001246015649 1140845381 /nfs/dbraw/zinc/84/53/81/1140845381.db2.gz QUBMMOMLNOQWIV-NRFANRHFSA-N 1 3 324.468 2.328 20 0 DEADHO C[C@H]1CC[C@@H](CN)[N@@H+]1C[C@@H](O)COc1cccc2ccccc21 ZINC001246018707 1140846994 /nfs/dbraw/zinc/84/69/94/1140846994.db2.gz WVBTWKHNASMABO-BHYGNILZSA-N 1 3 314.429 2.391 20 0 DEADHO C[C@H]1CC[C@@H](CN)[N@H+]1C[C@@H](O)COc1cccc2ccccc21 ZINC001246018707 1140847001 /nfs/dbraw/zinc/84/70/01/1140847001.db2.gz WVBTWKHNASMABO-BHYGNILZSA-N 1 3 314.429 2.391 20 0 DEADHO C[C@]1(C[NH3+])CCCCN(C[C@@H](O)COc2ccc(F)cc2)C1 ZINC001246018882 1140847070 /nfs/dbraw/zinc/84/70/70/1140847070.db2.gz CLOQSEGBWLSGGW-NVXWUHKLSA-N 1 3 310.413 2.016 20 0 DEADHO Cc1ccc(SC[C@@H](C)[NH2+]C[C@]2(O)CCNC[C@@H]2F)cc1 ZINC001246081150 1140858304 /nfs/dbraw/zinc/85/83/04/1140858304.db2.gz ISNQAHPRNPWGSI-VNQPRFMTSA-N 1 3 312.454 2.128 20 0 DEADHO COc1ccc(CN2CCC([NH2+][C@H]3CCCNC3)CC2)cc1 ZINC001246173307 1140869797 /nfs/dbraw/zinc/86/97/97/1140869797.db2.gz SMSOMKAIYQMMAL-KRWDZBQOSA-N 1 3 303.450 2.001 20 0 DEADHO COc1ccc(CN2CCC([NH2+][C@@H]3CC[C@@H](C)NC3)CC2)cc1 ZINC001246171766 1140869854 /nfs/dbraw/zinc/86/98/54/1140869854.db2.gz NQKXRJVIOVKLRN-CRAIPNDOSA-N 1 3 317.477 2.390 20 0 DEADHO C[C@@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(O)cc3)CC2)CN1 ZINC001246357593 1140887356 /nfs/dbraw/zinc/88/73/56/1140887356.db2.gz BPQNAMNXEVWUBW-RHSMWYFYSA-N 1 3 303.450 2.087 20 0 DEADHO NC(=O)[C@@H](N)CCCC[NH2+][C@H]1CCC[C@H](c2ccccc2)C1 ZINC001246420705 1140896426 /nfs/dbraw/zinc/89/64/26/1140896426.db2.gz YTTYEWHUZCCDNB-ULQDDVLXSA-N 1 3 303.450 2.285 20 0 DEADHO CCN(CC[NH2+]CC1CCCCC1)C(=O)CN1CC[C@H](C)C1 ZINC001320839464 1140947424 /nfs/dbraw/zinc/94/74/24/1140947424.db2.gz FBLWOYPRNTXFPV-INIZCTEOSA-N 1 3 309.498 2.347 20 0 DEADHO O=C1CN(C2CCC3(CCCCC3)CC2)CC2(CC[NH2+]CC2)N1 ZINC001246623278 1141008538 /nfs/dbraw/zinc/00/85/38/1141008538.db2.gz BRFUZYHPAGGRGO-UHFFFAOYSA-N 1 3 319.493 2.434 20 0 DEADHO COc1ccc(Cl)c2c1C[C@@H](N1C[C@H]3C[NH2+]C[C@H]3C1)CC2 ZINC001246628067 1141010703 /nfs/dbraw/zinc/01/07/03/1141010703.db2.gz WSPGSYQSYODWSD-XQQFMLRXSA-N 1 3 306.837 2.357 20 0 DEADHO CC[C@H](Cc1ccc2c(c1)OCO2)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001246628320 1141012078 /nfs/dbraw/zinc/01/20/78/1141012078.db2.gz BZOGXRIFPRQGSN-QAPCUYQASA-N 1 3 302.418 2.422 20 0 DEADHO CCOC(=O)c1ccc(C[C@@H](C)N2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246631772 1141012749 /nfs/dbraw/zinc/01/27/49/1141012749.db2.gz SCFJVFYWEFHPHU-DNVCBOLYSA-N 1 3 316.445 2.480 20 0 DEADHO c1cncc(COC[C@@]23CCC[C@@H]2C[N@@H+](C2CCNCC2)C3)c1 ZINC001246699576 1141037583 /nfs/dbraw/zinc/03/75/83/1141037583.db2.gz XNEMXKPJERLNNM-MJGOQNOKSA-N 1 3 315.461 2.452 20 0 DEADHO c1cncc(COC[C@@]23CCC[C@@H]2C[N@H+](C2CCNCC2)C3)c1 ZINC001246699576 1141037591 /nfs/dbraw/zinc/03/75/91/1141037591.db2.gz XNEMXKPJERLNNM-MJGOQNOKSA-N 1 3 315.461 2.452 20 0 DEADHO C[C@@H]1C[C@H]([NH+]2C[C@@H]3CN(Cc4cccs4)C[C@H]3C2)CCN1 ZINC001246706372 1141040360 /nfs/dbraw/zinc/04/03/60/1141040360.db2.gz KLPZPNRUDZOBLI-FXUDXRNXSA-N 1 3 305.491 2.252 20 0 DEADHO COCC[C@H]1CO[C@]2(C1)CCCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246717455 1141044503 /nfs/dbraw/zinc/04/45/03/1141044503.db2.gz IREMQPNDJLDCHF-WKUFJEKOSA-N 1 3 308.466 2.177 20 0 DEADHO COCC[C@@H]1CO[C@@]2(C1)CCCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246717453 1141045174 /nfs/dbraw/zinc/04/51/74/1141045174.db2.gz IREMQPNDJLDCHF-HVVXOQGOSA-N 1 3 308.466 2.177 20 0 DEADHO O=C(NC1CCC1)[C@H]1CC12CCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001246738799 1141047615 /nfs/dbraw/zinc/04/76/15/1141047615.db2.gz GSLGUEUQPIPDPO-FCLJQHQZSA-N 1 3 317.477 2.040 20 0 DEADHO Brc1cccc([C@H]2CN(C3CC[NH2+]CC3)CCN2)c1 ZINC001246806429 1141068564 /nfs/dbraw/zinc/06/85/64/1141068564.db2.gz NJHOXKJRANXVRC-OAHLLOKOSA-N 1 3 324.266 2.147 20 0 DEADHO CC[C@@H]1CC(N2C[C@@H]3CC[C@H](C2)C3C(=O)OC)C[C@@H](CC)[NH2+]1 ZINC001246828179 1141077178 /nfs/dbraw/zinc/07/71/78/1141077178.db2.gz ZGWXGNPNEUHASK-JPEUKKKJSA-N 1 3 308.466 2.427 20 0 DEADHO CCOC(=O)c1ccc(C[C@@H](C)N2CC[C@@H](C[NH2+]C)C2)cc1 ZINC001246861868 1141093458 /nfs/dbraw/zinc/09/34/58/1141093458.db2.gz FNOLYGQLYOPJIB-ZBFHGGJFSA-N 1 3 304.434 2.336 20 0 DEADHO CC[C@H](F)CNC/C=C/CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001321281774 1141121377 /nfs/dbraw/zinc/12/13/77/1141121377.db2.gz SLSOLJZXPUSKQP-ZWOPJXCPSA-N 1 3 313.461 2.261 20 0 DEADHO COC(=O)[C@H]1CN([C@@H]2CC[NH2+][C@H](C)C2)C[C@@H]1c1ccccc1 ZINC001246993494 1141228613 /nfs/dbraw/zinc/22/86/13/1141228613.db2.gz HNKAFPQRCLEIRY-DZUCGIPZSA-N 1 3 302.418 2.016 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]21 ZINC001278487030 1141361644 /nfs/dbraw/zinc/36/16/44/1141361644.db2.gz LFFYQFWSSWPMCB-BHYGNILZSA-N 1 3 316.449 2.135 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1([NH2+]CCCF)CC1)N1CCCCC1 ZINC001323617217 1141870282 /nfs/dbraw/zinc/87/02/82/1141870282.db2.gz UCXKELZZEMVJKJ-HNNXBMFYSA-N 1 3 313.461 2.095 20 0 DEADHO COc1cccc([C@@H](O)C[NH2+]CCc2c[nH]c3ccncc23)c1 ZINC001250735874 1142298626 /nfs/dbraw/zinc/29/86/26/1142298626.db2.gz GVVBVYMXIBEHMN-SFHVURJKSA-N 1 3 311.385 2.437 20 0 DEADHO C[NH+](C)CCC(C)(C)NC[C@H](O)COc1ccc(F)cc1F ZINC001250881992 1142343941 /nfs/dbraw/zinc/34/39/41/1142343941.db2.gz VFJBKLRXFFHWJA-ZDUSSCGKSA-N 1 3 316.392 2.024 20 0 DEADHO O[C@@H](C[NH2+]C1CCN(CC2CCOCC2)CC1)c1ccccc1 ZINC001252010732 1142592376 /nfs/dbraw/zinc/59/23/76/1142592376.db2.gz MQRXZWSELWOJEK-IBGZPJMESA-N 1 3 318.461 2.201 20 0 DEADHO CCN(CC)C[C@@H](O)C[N@@H+]1CC[C@H](c2ccccc2OC)C1 ZINC001253175075 1142849665 /nfs/dbraw/zinc/84/96/65/1142849665.db2.gz DPPFYHGZWIQIHE-JKSUJKDBSA-N 1 3 306.450 2.187 20 0 DEADHO CCN(CC)C[C@@H](O)C[N@H+]1CC[C@H](c2ccccc2OC)C1 ZINC001253175075 1142849667 /nfs/dbraw/zinc/84/96/67/1142849667.db2.gz DPPFYHGZWIQIHE-JKSUJKDBSA-N 1 3 306.450 2.187 20 0 DEADHO CC[NH+](CC)C[C@@H](O)CNCCc1c(C)[nH]c2ccccc21 ZINC001253204293 1142853471 /nfs/dbraw/zinc/85/34/71/1142853471.db2.gz PNOHCMJYIWGHFY-HNNXBMFYSA-N 1 3 303.450 2.311 20 0 DEADHO CC(C)(C)NC[C@@H](O)C[NH2+]CC1(CC2CCC2)CCOCC1 ZINC001253411412 1142870352 /nfs/dbraw/zinc/87/03/52/1142870352.db2.gz LRQSKEDHXBBKCI-INIZCTEOSA-N 1 3 312.498 2.312 20 0 DEADHO CC(=O)N1CCC(N[C@H](CC[NH+](C)C)c2ccccc2)CC1 ZINC001254414080 1143109036 /nfs/dbraw/zinc/10/90/36/1143109036.db2.gz SJUZBIZTJYOFHB-GOSISDBHSA-N 1 3 303.450 2.280 20 0 DEADHO CC(C)N1CCOC[C@]2(CCC[N@@H+]([C@@H]3CCCN(C)CC3)C2)C1 ZINC001254519700 1143184131 /nfs/dbraw/zinc/18/41/31/1143184131.db2.gz JYPPUQPXCIBISM-RTBURBONSA-N 1 3 323.525 2.294 20 0 DEADHO CC(C)N1CCOC[C@]2(CCC[N@H+]([C@@H]3CCCN(C)CC3)C2)C1 ZINC001254519700 1143184143 /nfs/dbraw/zinc/18/41/43/1143184143.db2.gz JYPPUQPXCIBISM-RTBURBONSA-N 1 3 323.525 2.294 20 0 DEADHO C[N@@H+]1CCC[C@@H](N2CCC(NC(=O)N3CCCCC3)CC2)CC1 ZINC001254532659 1143234042 /nfs/dbraw/zinc/23/40/42/1143234042.db2.gz VXWKRRVYTLILLY-QGZVFWFLSA-N 1 3 322.497 2.131 20 0 DEADHO C[N@H+]1CCC[C@@H](N2CCC(NC(=O)N3CCCCC3)CC2)CC1 ZINC001254532659 1143234071 /nfs/dbraw/zinc/23/40/71/1143234071.db2.gz VXWKRRVYTLILLY-QGZVFWFLSA-N 1 3 322.497 2.131 20 0 DEADHO CC(C)[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)N1CCCC1 ZINC001255668697 1143800604 /nfs/dbraw/zinc/80/06/04/1143800604.db2.gz INYOIUZOELPHNR-HMQMGEFJSA-N 1 3 307.482 2.238 20 0 DEADHO CC(C)[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)N1CCCC1 ZINC001255668697 1143800605 /nfs/dbraw/zinc/80/06/05/1143800605.db2.gz INYOIUZOELPHNR-HMQMGEFJSA-N 1 3 307.482 2.238 20 0 DEADHO CC[NH+](CC)CC[C@@H](C)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC001255952994 1143816880 /nfs/dbraw/zinc/81/68/80/1143816880.db2.gz HKYLNKARLYKGHQ-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C1CC[NH+](C2CC2)CC1 ZINC001256081170 1143828858 /nfs/dbraw/zinc/82/88/58/1143828858.db2.gz QXJBNMBABWUENZ-JQFCIGGWSA-N 1 3 306.450 2.277 20 0 DEADHO CN1CCC[C@@H]1CC[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC001256582136 1143855121 /nfs/dbraw/zinc/85/51/21/1143855121.db2.gz IYEPGJZZGVPHRG-GOSISDBHSA-N 1 3 302.466 2.120 20 0 DEADHO COc1ccnc(O[C@@H]2CC[N@@H+](C3C[C@H]4CC[C@@H](C3)N4C)C2)c1 ZINC001256630674 1143858771 /nfs/dbraw/zinc/85/87/71/1143858771.db2.gz GTXZRRKLAIDFMR-KJFZJZGVSA-N 1 3 317.433 2.169 20 0 DEADHO COc1ccnc(O[C@@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)N4C)C2)c1 ZINC001256630674 1143858772 /nfs/dbraw/zinc/85/87/72/1143858772.db2.gz GTXZRRKLAIDFMR-KJFZJZGVSA-N 1 3 317.433 2.169 20 0 DEADHO Cc1cc(C)c(C[NH2+]C2CCC(N3CCOCC3)CC2)c(=O)[nH]1 ZINC001256678131 1143861555 /nfs/dbraw/zinc/86/15/55/1143861555.db2.gz RQERUJLOGRFVLU-UHFFFAOYSA-N 1 3 319.449 2.137 20 0 DEADHO Oc1ccc(CC[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256677725 1143861573 /nfs/dbraw/zinc/86/15/73/1143861573.db2.gz NOEWSASYMZPTIL-UHFFFAOYSA-N 1 3 304.434 2.168 20 0 DEADHO Oc1ccccc1CC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256685811 1143862282 /nfs/dbraw/zinc/86/22/82/1143862282.db2.gz HNGGSMHVAWNPHY-UHFFFAOYSA-N 1 3 304.434 2.168 20 0 DEADHO c1cn(C2CCC(N3CCOCC3)CC2)c([C@@H]2CCC[NH2+]C2)n1 ZINC001256696355 1143863402 /nfs/dbraw/zinc/86/34/02/1143863402.db2.gz AKJHAMFLFSRSNN-KLAILNCOSA-N 1 3 318.465 2.166 20 0 DEADHO Cc1ccn2c(c1)nnc2CNC1CCN(c2cc[nH+]cc2)CC1 ZINC001256848859 1143870453 /nfs/dbraw/zinc/87/04/53/1143870453.db2.gz IJFPHUWECJWMAL-UHFFFAOYSA-N 1 3 322.416 2.191 20 0 DEADHO CCCN1CCC([N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)CC1 ZINC001258774025 1144040637 /nfs/dbraw/zinc/04/06/37/1144040637.db2.gz HLLNDTUZUMHXKF-QGZVFWFLSA-N 1 3 307.482 2.338 20 0 DEADHO CCCN1CCC([N@H+]2CCCC[C@@H]2C(=O)N2CCCC2)CC1 ZINC001258774025 1144040639 /nfs/dbraw/zinc/04/06/39/1144040639.db2.gz HLLNDTUZUMHXKF-QGZVFWFLSA-N 1 3 307.482 2.338 20 0 DEADHO CC[NH+](CC)CCC[C@H](C)N1CCN(c2ncccn2)CC1 ZINC001258906866 1144053129 /nfs/dbraw/zinc/05/31/29/1144053129.db2.gz BQWBUPUVYQNIQU-INIZCTEOSA-N 1 3 305.470 2.109 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](CNCCC(=O)N(C)c2ccccc2)C1 ZINC001262563526 1144319112 /nfs/dbraw/zinc/31/91/12/1144319112.db2.gz HRZKRZPQQGHPNY-INIZCTEOSA-N 1 3 303.450 2.359 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](CNCCC(=O)N(C)c2ccccc2)C1 ZINC001262563526 1144319116 /nfs/dbraw/zinc/31/91/16/1144319116.db2.gz HRZKRZPQQGHPNY-INIZCTEOSA-N 1 3 303.450 2.359 20 0 DEADHO CC[C@@H](CNC(=O)CCCC[NH2+]C)N1CCc2ccccc2C1 ZINC001263095371 1144354980 /nfs/dbraw/zinc/35/49/80/1144354980.db2.gz KIUWTQOBNIPEBS-SFHVURJKSA-N 1 3 317.477 2.329 20 0 DEADHO C[C@H](CN)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC000382022702 1144385635 /nfs/dbraw/zinc/38/56/35/1144385635.db2.gz YRJVPZXNRJTLNG-ZIAGYGMSSA-N 1 3 311.470 2.493 20 0 DEADHO CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001264372284 1144516471 /nfs/dbraw/zinc/51/64/71/1144516471.db2.gz BBXYADUXDWLOLH-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001264372284 1144516477 /nfs/dbraw/zinc/51/64/77/1144516477.db2.gz BBXYADUXDWLOLH-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@@H](C(=O)NCCC[N@H+](C)Cc1ccccc1C)N(C)C ZINC001265037006 1144629532 /nfs/dbraw/zinc/62/95/32/1144629532.db2.gz ONBWQDLTTVUIRC-KRWDZBQOSA-N 1 3 305.466 2.273 20 0 DEADHO CC[C@@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1C)N(C)C ZINC001265037006 1144629533 /nfs/dbraw/zinc/62/95/33/1144629533.db2.gz ONBWQDLTTVUIRC-KRWDZBQOSA-N 1 3 305.466 2.273 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC12CC[NH+](CC=C(C)C)CC2)N(C)C ZINC001265332253 1144695290 /nfs/dbraw/zinc/69/52/90/1144695290.db2.gz QUVFBJIVJUJXCS-HOTGVXAUSA-N 1 3 307.482 2.264 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CCC[N@H+](CCCCCF)C1 ZINC001265594692 1144716635 /nfs/dbraw/zinc/71/66/35/1144716635.db2.gz IGYLSDUNEUKSHG-HNNXBMFYSA-N 1 3 324.444 2.229 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CCC[N@@H+](CCCCCF)C1 ZINC001265594692 1144716638 /nfs/dbraw/zinc/71/66/38/1144716638.db2.gz IGYLSDUNEUKSHG-HNNXBMFYSA-N 1 3 324.444 2.229 20 0 DEADHO CN1CCC[C@@H]1C(=O)NCCC[N@H+](C)Cc1cccc(Cl)c1 ZINC001265901707 1144753592 /nfs/dbraw/zinc/75/35/92/1144753592.db2.gz BILFQFVBRBXZMQ-MRXNPFEDSA-N 1 3 323.868 2.372 20 0 DEADHO CN1CCC[C@@H]1C(=O)NCCC[N@@H+](C)Cc1cccc(Cl)c1 ZINC001265901707 1144753598 /nfs/dbraw/zinc/75/35/98/1144753598.db2.gz BILFQFVBRBXZMQ-MRXNPFEDSA-N 1 3 323.868 2.372 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCCC2CCC2)C1 ZINC001265964734 1144772029 /nfs/dbraw/zinc/77/20/29/1144772029.db2.gz ZWUWZJCUDHPIPX-DLBZAZTESA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)=CCN(C)C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001281951714 1144923389 /nfs/dbraw/zinc/92/33/89/1144923389.db2.gz ILBRSTDSWJASCQ-INIZCTEOSA-N 1 3 307.482 2.217 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC001364194995 1145070590 /nfs/dbraw/zinc/07/05/90/1145070590.db2.gz JLCGNXHVNSKRPD-UHFFFAOYSA-N 1 3 324.513 2.377 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC001364479537 1145284658 /nfs/dbraw/zinc/28/46/58/1145284658.db2.gz TZSMOBZUECEGFE-INIZCTEOSA-N 1 3 324.513 2.425 20 0 DEADHO c1[nH]nc(-c2cccnc2)c1C[NH2+]C1CCN(CC2CC2)CC1 ZINC001364580505 1145357698 /nfs/dbraw/zinc/35/76/98/1145357698.db2.gz GVAXQEHLBXMFJT-UHFFFAOYSA-N 1 3 311.433 2.436 20 0 DEADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(C(=O)NC4CC4)cc3)[C@H]2C1 ZINC001364674493 1145447507 /nfs/dbraw/zinc/44/75/07/1145447507.db2.gz XUVAJZAVVHCNLG-RYQLBKOJSA-N 1 3 313.445 2.009 20 0 DEADHO CCN1CCC[C@@H]([NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)C1 ZINC001364696900 1145479145 /nfs/dbraw/zinc/47/91/45/1145479145.db2.gz GDGUGGCUTVANLP-QRVBRYPASA-N 1 3 301.478 2.406 20 0 DEADHO CCCN(CC[NH+]1CCCCC1)C(=O)NC[C@H]1CCCCN1C ZINC001364757874 1145543054 /nfs/dbraw/zinc/54/30/54/1145543054.db2.gz ITRQPZYJHOOBEB-QGZVFWFLSA-N 1 3 324.513 2.378 20 0 DEADHO CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC001283878945 1145684972 /nfs/dbraw/zinc/68/49/72/1145684972.db2.gz ADCVKEVNQYJZGL-HXHJPBPVSA-N 1 3 307.482 2.406 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)CCO1 ZINC001365355226 1145856773 /nfs/dbraw/zinc/85/67/73/1145856773.db2.gz RVOPEBWQPWOREK-APWZRJJASA-N 1 3 317.477 2.091 20 0 DEADHO CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001316644808 1146767259 /nfs/dbraw/zinc/76/72/59/1146767259.db2.gz WQRPDSLHACRKDX-ZWKOTPCHSA-N 1 3 317.477 2.322 20 0 DEADHO CC[C@H](C(=O)N(C)C1CC[NH+](CC2CCCC2)CC1)N(C)C ZINC001365928571 1146916649 /nfs/dbraw/zinc/91/66/49/1146916649.db2.gz BRMKDFMPDVVDRY-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCC(C)C)C1 ZINC001491856395 1146922970 /nfs/dbraw/zinc/92/29/70/1146922970.db2.gz QMGUMXWDMBQKSS-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CCC2CC2)C1)N1CCCC1 ZINC001366005914 1147004562 /nfs/dbraw/zinc/00/45/62/1147004562.db2.gz TYLHLHPJOXXDHT-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](CCC2CC2)C1)N1CCCC1 ZINC001366005914 1147004564 /nfs/dbraw/zinc/00/45/64/1147004564.db2.gz TYLHLHPJOXXDHT-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2)C1)N(C)C ZINC001366128161 1147069131 /nfs/dbraw/zinc/06/91/31/1147069131.db2.gz VBUOYXQWSOFFNP-JYJNAYRXSA-N 1 3 323.868 2.417 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001366146811 1147079644 /nfs/dbraw/zinc/07/96/44/1147079644.db2.gz CSAWQZZSRMELAG-CALCHBBNSA-N 1 3 315.461 2.216 20 0 DEADHO C[NH+](C)CCCC(=O)NC[C@H]1CCCN(CCC(F)(F)F)C1 ZINC001366176287 1147094410 /nfs/dbraw/zinc/09/44/10/1147094410.db2.gz FLHUFCJHEANKGS-CYBMUJFWSA-N 1 3 323.403 2.109 20 0 DEADHO CC[C@@H](C(=O)NC1CCC([NH2+]C/C=C\Cl)CC1)N(C)C ZINC001366244562 1147152729 /nfs/dbraw/zinc/15/27/29/1147152729.db2.gz ZMMWDVZNFDVHIS-UPGUGMRLSA-N 1 3 301.862 2.096 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001366369806 1147239494 /nfs/dbraw/zinc/23/94/94/1147239494.db2.gz UVHMFOKNABFRCR-HNNXBMFYSA-N 1 3 317.477 2.110 20 0 DEADHO CCCc1ccc(C[N@H+](C)CCNC(=O)[C@@H]2CCCN2C)cc1 ZINC001366520345 1147325207 /nfs/dbraw/zinc/32/52/07/1147325207.db2.gz PKEPXFVSYZKJSA-SFHVURJKSA-N 1 3 317.477 2.281 20 0 DEADHO CCCc1ccc(C[N@@H+](C)CCNC(=O)[C@@H]2CCCN2C)cc1 ZINC001366520345 1147325212 /nfs/dbraw/zinc/32/52/12/1147325212.db2.gz PKEPXFVSYZKJSA-SFHVURJKSA-N 1 3 317.477 2.281 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](C)Cc1cc(C)ccc1C)N(C)C ZINC001366565186 1147357812 /nfs/dbraw/zinc/35/78/12/1147357812.db2.gz YXEYJZIFFVDNAX-KRWDZBQOSA-N 1 3 305.466 2.192 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](C)Cc1cc(C)ccc1C)N(C)C ZINC001366565186 1147357816 /nfs/dbraw/zinc/35/78/16/1147357816.db2.gz YXEYJZIFFVDNAX-KRWDZBQOSA-N 1 3 305.466 2.192 20 0 DEADHO C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCCN1C)c1ccc(F)cc1 ZINC001366781258 1147556033 /nfs/dbraw/zinc/55/60/33/1147556033.db2.gz XLMMTTGEXRKJEA-CZUORRHYSA-N 1 3 307.413 2.029 20 0 DEADHO CC(C)CC[N@H+](C)C[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001366865608 1147598471 /nfs/dbraw/zinc/59/84/71/1147598471.db2.gz LIRMZMPWRAOUHO-IAGOWNOFSA-N 1 3 309.498 2.155 20 0 DEADHO CC(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001366865608 1147598473 /nfs/dbraw/zinc/59/84/73/1147598473.db2.gz LIRMZMPWRAOUHO-IAGOWNOFSA-N 1 3 309.498 2.155 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccsc1 ZINC001367242411 1147668408 /nfs/dbraw/zinc/66/84/08/1147668408.db2.gz JISXMVJSJDWQGK-GDBMZVCRSA-N 1 3 323.506 2.463 20 0 DEADHO Cc1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001367692711 1147727895 /nfs/dbraw/zinc/72/78/95/1147727895.db2.gz ODHVGWJLUIIMHP-NVXWUHKLSA-N 1 3 305.466 2.176 20 0 DEADHO CCc1cccc(C[NH2+]C[C@@H](C)NC(=O)CN2CC[C@H](C)C2)c1 ZINC001367695507 1147728475 /nfs/dbraw/zinc/72/84/75/1147728475.db2.gz QILWKHKZUORBJM-JKSUJKDBSA-N 1 3 317.477 2.185 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)NC(=O)C2(N(C)C)CCC2)cc1C ZINC001367740925 1147735935 /nfs/dbraw/zinc/73/59/35/1147735935.db2.gz SZPFACNZADRBKW-INIZCTEOSA-N 1 3 317.477 2.382 20 0 DEADHO C[N@H+](CCCCCF)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001317860174 1147758501 /nfs/dbraw/zinc/75/85/01/1147758501.db2.gz BNJIQEXXKZCPBW-MRXNPFEDSA-N 1 3 313.461 2.002 20 0 DEADHO C[N@@H+](CCCCCF)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001317860174 1147758503 /nfs/dbraw/zinc/75/85/03/1147758503.db2.gz BNJIQEXXKZCPBW-MRXNPFEDSA-N 1 3 313.461 2.002 20 0 DEADHO CC(C)CCN1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001367974573 1147811953 /nfs/dbraw/zinc/81/19/53/1147811953.db2.gz FGVWWONBGTUBHL-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+][C@@H]2CCc3ccccc32)CC1 ZINC001368035715 1147837249 /nfs/dbraw/zinc/83/72/49/1147837249.db2.gz IGFWOJYDDULQQQ-QGZVFWFLSA-N 1 3 315.461 2.254 20 0 DEADHO CCCCC[NH2+]CC[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001326285231 1148069474 /nfs/dbraw/zinc/06/94/74/1148069474.db2.gz CMQAMDYARCHATN-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)=CC[NH2+]CC[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001326365659 1148085889 /nfs/dbraw/zinc/08/58/89/1148085889.db2.gz UDDOZPHNGAMUGI-SJORKVTESA-N 1 3 307.482 2.123 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]Cc2ccccc2)C1)N(C)C ZINC001326365192 1148086156 /nfs/dbraw/zinc/08/61/56/1148086156.db2.gz OAEGUVWDDXFIRH-ROUUACIJSA-N 1 3 317.477 2.355 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2ccsc2)C1)N(C)C ZINC001326410564 1148094708 /nfs/dbraw/zinc/09/47/08/1148094708.db2.gz AFRCJWQIEQZPPX-ZBFHGGJFSA-N 1 3 323.506 2.417 20 0 DEADHO CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001368190881 1148316616 /nfs/dbraw/zinc/31/66/16/1148316616.db2.gz AUFGVWTZOSPEBE-IAGOWNOFSA-N 1 3 313.461 2.047 20 0 DEADHO OC1CCN(Cc2ccccc2C[NH2+]C[C@H]2CCSC2)CC1 ZINC000278333889 214097235 /nfs/dbraw/zinc/09/72/35/214097235.db2.gz GDXHXXMCEZDQNR-OAHLLOKOSA-N 1 3 320.502 2.486 20 0 DEADHO C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(CO)c1 ZINC000278339024 214100864 /nfs/dbraw/zinc/10/08/64/214100864.db2.gz AGWRCHMDLGIISV-CVEARBPZSA-N 1 3 306.450 2.330 20 0 DEADHO C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cccc(CO)c1 ZINC000278339024 214100867 /nfs/dbraw/zinc/10/08/67/214100867.db2.gz AGWRCHMDLGIISV-CVEARBPZSA-N 1 3 306.450 2.330 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)N[C@@]1(C)CC[NH2+]C1)c1ccccc1 ZINC000612881462 361939602 /nfs/dbraw/zinc/93/96/02/361939602.db2.gz TYEVYANBFUIEQH-KSSFIOAISA-N 1 3 318.465 2.167 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@@]1(C)CC[NH2+]C1)N(C)C ZINC000612909787 361948814 /nfs/dbraw/zinc/94/88/14/361948814.db2.gz OWNDCTPPXOEEMF-HFTRVMKXSA-N 1 3 318.465 2.037 20 0 DEADHO COCCOCCN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000079411596 185170119 /nfs/dbraw/zinc/17/01/19/185170119.db2.gz YMSDCOQOMXOSPB-UHFFFAOYSA-N 1 3 320.477 2.493 20 0 DEADHO COCCOCCN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000079411596 185170120 /nfs/dbraw/zinc/17/01/20/185170120.db2.gz YMSDCOQOMXOSPB-UHFFFAOYSA-N 1 3 320.477 2.493 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000417733948 529447186 /nfs/dbraw/zinc/44/71/86/529447186.db2.gz JMDHNJJHUXBDFW-KCQAQPDRSA-N 1 3 324.494 2.168 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000417831639 529449918 /nfs/dbraw/zinc/44/99/18/529449918.db2.gz IAYSBWZYPWIUJO-BHYGNILZSA-N 1 3 318.465 2.076 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)NCC1([NH3+])CCCCC1 ZINC000418294946 529613888 /nfs/dbraw/zinc/61/38/88/529613888.db2.gz IOSWNUJEFWUAMI-MRXNPFEDSA-N 1 3 318.465 2.210 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418396487 529614763 /nfs/dbraw/zinc/61/47/63/529614763.db2.gz BDLRIXUOYOQHFM-USXIJHARSA-N 1 3 318.465 2.066 20 0 DEADHO C[C@@H]1C[C@@H](NC[C@H](NC(=O)OC(C)(C)C)C2CC2)CC[N@@H+]1C ZINC000179531328 282228366 /nfs/dbraw/zinc/22/83/66/282228366.db2.gz MSBIEDGCJXDZFW-SNPRPXQTSA-N 1 3 311.470 2.362 20 0 DEADHO C[C@@H]1C[C@@H](NC[C@H](NC(=O)OC(C)(C)C)C2CC2)CC[N@H+]1C ZINC000179531328 282228367 /nfs/dbraw/zinc/22/83/67/282228367.db2.gz MSBIEDGCJXDZFW-SNPRPXQTSA-N 1 3 311.470 2.362 20 0 DEADHO C[NH2+]C[C@@H](C)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000163577190 290672957 /nfs/dbraw/zinc/67/29/57/290672957.db2.gz SBOWYSZJUNLFJX-CABCVRRESA-N 1 3 323.506 2.493 20 0 DEADHO CN(C)Cc1cccc(C(=O)N(CC[NH3+])Cc2ccccc2)c1 ZINC000184177214 282246076 /nfs/dbraw/zinc/24/60/76/282246076.db2.gz YVQFKTXDSISAIY-UHFFFAOYSA-N 1 3 311.429 2.349 20 0 DEADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCC(CS(C)(=O)=O)CC2)C1 ZINC000340259462 282258572 /nfs/dbraw/zinc/25/85/72/282258572.db2.gz OEELZICDEPXNAU-FJBKBRRZSA-N 1 3 316.511 2.052 20 0 DEADHO CN(C)[C@H]1CCC[N@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000420901523 282256144 /nfs/dbraw/zinc/25/61/44/282256144.db2.gz KHRUQJRPCCWRTF-IBGZPJMESA-N 1 3 317.477 2.045 20 0 DEADHO CN(C)[C@H]1CCC[N@@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000420901523 282256149 /nfs/dbraw/zinc/25/61/49/282256149.db2.gz KHRUQJRPCCWRTF-IBGZPJMESA-N 1 3 317.477 2.045 20 0 DEADHO CCCNC(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821084 185343749 /nfs/dbraw/zinc/34/37/49/185343749.db2.gz ODNGPVZESHRMQP-UHFFFAOYSA-N 1 3 318.465 2.146 20 0 DEADHO C[NH2+]CCCNC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000417701445 529968043 /nfs/dbraw/zinc/96/80/43/529968043.db2.gz JRWYGMUCPKYSNY-CQSZACIVSA-N 1 3 306.454 2.025 20 0 DEADHO CNCc1cccc(NC(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000422566770 530008224 /nfs/dbraw/zinc/00/82/24/530008224.db2.gz TZWGBOHFHMIJND-UHFFFAOYSA-N 1 3 304.438 2.400 20 0 DEADHO CN1CCC(N(Cc2ccccc2)C(=O)NCCCC[NH3+])CC1 ZINC000418505884 530049584 /nfs/dbraw/zinc/04/95/84/530049584.db2.gz FHCCCRHZCWIHLX-UHFFFAOYSA-N 1 3 318.465 2.031 20 0 DEADHO C[C@@H](N[C@@H]1CCN(c2ccccc2F)C1=O)C1CC[NH+](C)CC1 ZINC000089621424 539412026 /nfs/dbraw/zinc/41/20/26/539412026.db2.gz PRHOWDPECHDRLE-CZUORRHYSA-N 1 3 319.424 2.251 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000155668039 539560279 /nfs/dbraw/zinc/56/02/79/539560279.db2.gz GNYQAVWQENIMSF-KDOFPFPSSA-N 1 3 305.441 2.429 20 0 DEADHO CN(CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccc(F)cc1 ZINC000166775203 539611129 /nfs/dbraw/zinc/61/11/29/539611129.db2.gz KUJFWTSWKWOCLW-QZTJIDSGSA-N 1 3 305.441 2.474 20 0 DEADHO CN(CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccc(F)cc1 ZINC000166775203 539611132 /nfs/dbraw/zinc/61/11/32/539611132.db2.gz KUJFWTSWKWOCLW-QZTJIDSGSA-N 1 3 305.441 2.474 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)CCC[N@H+](C)CCC1CC1 ZINC001421902312 1172109253 /nfs/dbraw/zinc/10/92/53/1172109253.db2.gz PFAHCFIGEWRLPX-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)CCC[N@@H+](C)CCC1CC1 ZINC001421902312 1172109259 /nfs/dbraw/zinc/10/92/59/1172109259.db2.gz PFAHCFIGEWRLPX-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000211692367 539724756 /nfs/dbraw/zinc/72/47/56/539724756.db2.gz ZKMFFZAVIGRELK-DLBZAZTESA-N 1 3 303.450 2.141 20 0 DEADHO Cc1ccccc1CN1CCC(NC(=O)CC2([NH3+])CCC2)CC1 ZINC000237727540 539748958 /nfs/dbraw/zinc/74/89/58/539748958.db2.gz QYRCLSLSJCQJAD-UHFFFAOYSA-N 1 3 315.461 2.347 20 0 DEADHO C[C@@H](C(=O)NCCCC[NH3+])N1CCC(Cc2ccccc2)CC1 ZINC000237479926 186295653 /nfs/dbraw/zinc/29/56/53/186295653.db2.gz UDCKPQHKSURPAV-INIZCTEOSA-N 1 3 317.477 2.185 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000237491087 186296779 /nfs/dbraw/zinc/29/67/79/186296779.db2.gz APRQXLGQPRAMDO-JQHSSLGASA-N 1 3 315.461 2.237 20 0 DEADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422246478 295819895 /nfs/dbraw/zinc/81/98/95/295819895.db2.gz SIMYUNPFXQJYCS-OOHWJJMZSA-N 1 3 324.513 2.231 20 0 DEADHO CN(C)[C@@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2F)CC1 ZINC000277193643 213357338 /nfs/dbraw/zinc/35/73/38/213357338.db2.gz MABVAIJLJFPEBP-SJORKVTESA-N 1 3 324.440 2.119 20 0 DEADHO CN(C)[C@@H]1CCC[N@@H+](C[C@H](O)COCc2ccccc2F)CC1 ZINC000277193643 213357339 /nfs/dbraw/zinc/35/73/39/213357339.db2.gz MABVAIJLJFPEBP-SJORKVTESA-N 1 3 324.440 2.119 20 0 DEADHO OC1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000305726516 539873491 /nfs/dbraw/zinc/87/34/91/539873491.db2.gz HMUIITLRBSGMHJ-UHFFFAOYSA-N 1 3 304.434 2.118 20 0 DEADHO C[C@@H]1CCN[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000309744367 539878015 /nfs/dbraw/zinc/87/80/15/539878015.db2.gz SYVIUSVBVPAVIC-NJAFHUGGSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@@H]1CCN[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000309744367 539878019 /nfs/dbraw/zinc/87/80/19/539878019.db2.gz SYVIUSVBVPAVIC-NJAFHUGGSA-N 1 3 315.461 2.013 20 0 DEADHO CC(C)N1CCC([NH2+][C@@H](C)C(=O)NCc2ccc(F)cc2)CC1 ZINC000173620384 198233327 /nfs/dbraw/zinc/23/33/27/198233327.db2.gz JECOMZQMRQVFEX-AWEZNQCLSA-N 1 3 321.440 2.293 20 0 DEADHO CC(C)N1CCC([NH2+][C@@H](C)C(=O)NCc2ccccc2F)CC1 ZINC000173614850 198233177 /nfs/dbraw/zinc/23/31/77/198233177.db2.gz APOFEMADEZDKDQ-AWEZNQCLSA-N 1 3 321.440 2.293 20 0 DEADHO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000174512853 198345134 /nfs/dbraw/zinc/34/51/34/198345134.db2.gz OTHCYYOXPSTKNF-MRXNPFEDSA-N 1 3 303.450 2.162 20 0 DEADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000174512853 198345136 /nfs/dbraw/zinc/34/51/36/198345136.db2.gz OTHCYYOXPSTKNF-MRXNPFEDSA-N 1 3 303.450 2.162 20 0 DEADHO C[NH+](C)Cc1cccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)c1 ZINC000174869205 198395215 /nfs/dbraw/zinc/39/52/15/198395215.db2.gz UADRVNAZCSEPPL-QGZVFWFLSA-N 1 3 314.433 2.226 20 0 DEADHO CCN1CC[C@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000356834126 283069921 /nfs/dbraw/zinc/06/99/21/283069921.db2.gz FWVDUQXKMOYAMS-CYBMUJFWSA-N 1 3 307.404 2.335 20 0 DEADHO CN1CCC(O)(C[NH2+]Cc2cnc(-c3ccccc3)s2)CC1 ZINC000077450253 355205620 /nfs/dbraw/zinc/20/56/20/355205620.db2.gz RGYDEBGHEIPPFP-UHFFFAOYSA-N 1 3 317.458 2.356 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@]1(C)CC[NH2+]C1 ZINC000382730155 540124079 /nfs/dbraw/zinc/12/40/79/540124079.db2.gz ZVHYUTIUUUILHH-VQIMIIECSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@H]([NH3+])CCC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000382699423 540124148 /nfs/dbraw/zinc/12/41/48/540124148.db2.gz LMUXFPTXZCFVFS-HOTGVXAUSA-N 1 3 303.450 2.237 20 0 DEADHO CC(C)(CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CCCCC1 ZINC000079219064 355301417 /nfs/dbraw/zinc/30/14/17/355301417.db2.gz NARKOVRHXYUSFU-JKSUJKDBSA-N 1 3 322.497 2.177 20 0 DEADHO CC(C)(CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)N1CCCCC1 ZINC000079219064 355301419 /nfs/dbraw/zinc/30/14/19/355301419.db2.gz NARKOVRHXYUSFU-JKSUJKDBSA-N 1 3 322.497 2.177 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2c2ccccc2)C1 ZINC000414740977 540156390 /nfs/dbraw/zinc/15/63/90/540156390.db2.gz RNLJWFAOVWPGKH-SJLPKXTDSA-N 1 3 315.461 2.411 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2c2ccccc2)C1 ZINC000414740977 540156393 /nfs/dbraw/zinc/15/63/93/540156393.db2.gz RNLJWFAOVWPGKH-SJLPKXTDSA-N 1 3 315.461 2.411 20 0 DEADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)N(C)C)cc1 ZINC000417300260 540165779 /nfs/dbraw/zinc/16/57/79/540165779.db2.gz AGDMQOUKVVXBTR-IKGGRYGDSA-N 1 3 318.465 2.167 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1CCC[C@H]([NH3+])C1)N(C)Cc1ccccc1 ZINC000417591725 540167331 /nfs/dbraw/zinc/16/73/31/540167331.db2.gz SLHMGVFILOAOCV-PVAVHDDUSA-N 1 3 318.465 2.076 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]C[C@](C)(O)C(C)C)CC1 ZINC000088720511 355518293 /nfs/dbraw/zinc/51/82/93/355518293.db2.gz OISMAEFNUYTNQQ-IBGZPJMESA-N 1 3 319.493 2.325 20 0 DEADHO CCO[C@H]1C[C@H]([NH2+]CCCCN2CCN(CC)CC2)C1(C)C ZINC000181493227 356083534 /nfs/dbraw/zinc/08/35/34/356083534.db2.gz YRPDTQUSWRIKNE-IRXDYDNUSA-N 1 3 311.514 2.197 20 0 DEADHO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCCN1CCCN(C)CC1 ZINC000181705878 356091402 /nfs/dbraw/zinc/09/14/02/356091402.db2.gz YNKCQTTWYQKFDJ-DLBZAZTESA-N 1 3 311.514 2.197 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)[C@@H](C)[NH3+] ZINC000399358377 283152024 /nfs/dbraw/zinc/15/20/24/283152024.db2.gz GLYWBFMFSLMAGH-IDCNUPLLSA-N 1 3 317.477 2.243 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)CN[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000316705993 356430661 /nfs/dbraw/zinc/43/06/61/356430661.db2.gz CQQKNUHWGDBPLI-IXDOHACOSA-N 1 3 306.450 2.115 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)CN[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000316705993 356430662 /nfs/dbraw/zinc/43/06/62/356430662.db2.gz CQQKNUHWGDBPLI-IXDOHACOSA-N 1 3 306.450 2.115 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1)N(C)C ZINC000618353820 363469065 /nfs/dbraw/zinc/46/90/65/363469065.db2.gz OAGRDYOHYIVNJY-ROUUACIJSA-N 1 3 317.477 2.102 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1)N(C)C ZINC000618353820 363469072 /nfs/dbraw/zinc/46/90/72/363469072.db2.gz OAGRDYOHYIVNJY-ROUUACIJSA-N 1 3 317.477 2.102 20 0 DEADHO CC[NH+](CC)Cc1cccc(NC(=O)CNC[C@H]2CCCO2)c1 ZINC000236928203 202075203 /nfs/dbraw/zinc/07/52/03/202075203.db2.gz ZYCRHSRSRZGZRL-QGZVFWFLSA-N 1 3 319.449 2.236 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CCN(C)C)Cc1cccs1 ZINC000423768153 283198059 /nfs/dbraw/zinc/19/80/59/283198059.db2.gz CSFAYHOHWXOVIX-GJZGRUSLSA-N 1 3 309.479 2.026 20 0 DEADHO CCC[C@H](N)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000237036473 202130411 /nfs/dbraw/zinc/13/04/11/202130411.db2.gz NXKDPBISCPVSJC-IRXDYDNUSA-N 1 3 303.450 2.094 20 0 DEADHO CCC[C@H](N)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000237036473 202130416 /nfs/dbraw/zinc/13/04/16/202130416.db2.gz NXKDPBISCPVSJC-IRXDYDNUSA-N 1 3 303.450 2.094 20 0 DEADHO CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000237044090 202132185 /nfs/dbraw/zinc/13/21/85/202132185.db2.gz QDHCWMXNJJLVBZ-YDHLFZDLSA-N 1 3 309.479 2.375 20 0 DEADHO CN(CCCNC(=O)[C@H]1CC12CC[NH2+]CC2)Cc1ccccc1 ZINC000237072011 202143095 /nfs/dbraw/zinc/14/30/95/202143095.db2.gz UKWKWBBFNLPMDJ-QGZVFWFLSA-N 1 3 315.461 2.014 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000382728361 356677406 /nfs/dbraw/zinc/67/74/06/356677406.db2.gz XECFGVYSVNQKCY-WMZOPIPTSA-N 1 3 315.461 2.252 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCCN(C)Cc1ccccc1 ZINC000384496720 356683806 /nfs/dbraw/zinc/68/38/06/356683806.db2.gz VYUWSAPBTZHVRL-RDJZCZTQSA-N 1 3 303.450 2.013 20 0 DEADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000387421550 356704180 /nfs/dbraw/zinc/70/41/80/356704180.db2.gz GFRZMIDYUQIBQZ-CVEARBPZSA-N 1 3 305.466 2.430 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618660367 363563373 /nfs/dbraw/zinc/56/33/73/363563373.db2.gz JCXSOZQUUOQSMA-WBVHZDCISA-N 1 3 307.482 2.384 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618660367 363563380 /nfs/dbraw/zinc/56/33/80/363563380.db2.gz JCXSOZQUUOQSMA-WBVHZDCISA-N 1 3 307.482 2.384 20 0 DEADHO CCN(CC[NH3+])C(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000626922393 366361028 /nfs/dbraw/zinc/36/10/28/366361028.db2.gz VTJGBEVEEYYHHY-INIZCTEOSA-N 1 3 306.454 2.060 20 0 DEADHO COc1ccc(CN2CCC3OCC[NH2+]C3C2)c2ccccc12 ZINC000578070556 356757502 /nfs/dbraw/zinc/75/75/02/356757502.db2.gz XNVNWFVUNUBMSS-MJGOQNOKSA-N 1 3 312.413 2.411 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000579350855 356961256 /nfs/dbraw/zinc/96/12/56/356961256.db2.gz WANMOQYYWGPDAU-YQQAZPJKSA-N 1 3 318.465 2.076 20 0 DEADHO CC[NH+]1CCC(CN[C@@H](c2nccn2C)C2CCOCC2)CC1 ZINC000579676313 357011751 /nfs/dbraw/zinc/01/17/51/357011751.db2.gz MLAVGWHKIUPGBS-QGZVFWFLSA-N 1 3 320.481 2.209 20 0 DEADHO O[C@@H](CNC1CC[NH+](C2CC2)CC1)COc1ccc(Cl)cc1 ZINC000580769035 357078070 /nfs/dbraw/zinc/07/80/70/357078070.db2.gz FROAICUNYZCDAT-INIZCTEOSA-N 1 3 324.852 2.296 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)NCC1CC[NH2+]CC1)c1ccco1 ZINC000581715946 357235641 /nfs/dbraw/zinc/23/56/41/357235641.db2.gz NEDCLXPWJAMAPG-DZGCQCFKSA-N 1 3 322.453 2.008 20 0 DEADHO CCN(Cc1ccc(C(=O)N2CCC[C@H](C[NH3+])C2)cc1)C1CC1 ZINC000581725290 357237592 /nfs/dbraw/zinc/23/75/92/357237592.db2.gz GGAUERNGTNVFAW-MRXNPFEDSA-N 1 3 315.461 2.482 20 0 DEADHO CC1CCC(N2CCN(C(=O)CCCC[NH+](C)C)CC2)CC1 ZINC000584675250 357290970 /nfs/dbraw/zinc/29/09/70/357290970.db2.gz HDHAXHZDWOVOOM-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO c1nc(C2CCCCC2)sc1CNCCN1CC[NH2+]CC1 ZINC000581990607 357279654 /nfs/dbraw/zinc/27/96/54/357279654.db2.gz LGQHDDHUAGRGDJ-UHFFFAOYSA-N 1 3 308.495 2.186 20 0 DEADHO Cc1ccc(-c2n[nH]cc2CN2CCC(OCCC[NH3+])CC2)o1 ZINC000435388367 283261126 /nfs/dbraw/zinc/26/11/26/283261126.db2.gz FOGMGRQOCLUDAK-UHFFFAOYSA-N 1 3 318.421 2.308 20 0 DEADHO C[NH2+]CCC1CCN(C(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000662550870 540331395 /nfs/dbraw/zinc/33/13/95/540331395.db2.gz HHEKMBNATWWGGU-KRWDZBQOSA-N 1 3 301.434 2.069 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H]2[NH2+]CCC2(C)C)N(C)C)cc1 ZINC000662689068 540333330 /nfs/dbraw/zinc/33/33/30/540333330.db2.gz DKSXYLLZBJVULC-HOTGVXAUSA-N 1 3 303.450 2.102 20 0 DEADHO CC(C)[N@@H+]1CCCN(C(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000662823256 540334781 /nfs/dbraw/zinc/33/47/81/540334781.db2.gz RRMSMCJKOPLEHT-KRWDZBQOSA-N 1 3 301.434 2.164 20 0 DEADHO CC(C)[N@H+]1CCCN(C(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000662823256 540334783 /nfs/dbraw/zinc/33/47/83/540334783.db2.gz RRMSMCJKOPLEHT-KRWDZBQOSA-N 1 3 301.434 2.164 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000594795849 358338375 /nfs/dbraw/zinc/33/83/75/358338375.db2.gz BTOOJGGWZIEGRO-QGZVFWFLSA-N 1 3 316.449 2.354 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000594795849 358338380 /nfs/dbraw/zinc/33/83/80/358338380.db2.gz BTOOJGGWZIEGRO-QGZVFWFLSA-N 1 3 316.449 2.354 20 0 DEADHO C[N@H+](CCCNC[C@H]1CNc2ccnn2C1)C1CCCCC1 ZINC000595142249 358394209 /nfs/dbraw/zinc/39/42/09/358394209.db2.gz PVZCTMFSHSTMJG-HNNXBMFYSA-N 1 3 305.470 2.169 20 0 DEADHO C[N@@H+](CCCNC[C@H]1CNc2ccnn2C1)C1CCCCC1 ZINC000595142249 358394214 /nfs/dbraw/zinc/39/42/14/358394214.db2.gz PVZCTMFSHSTMJG-HNNXBMFYSA-N 1 3 305.470 2.169 20 0 DEADHO CN(CCC[NH2+]C[C@H]1CNc2ccnn2C1)C1CCCCC1 ZINC000595142249 358394217 /nfs/dbraw/zinc/39/42/17/358394217.db2.gz PVZCTMFSHSTMJG-HNNXBMFYSA-N 1 3 305.470 2.169 20 0 DEADHO O=C1O[C@@]2(CN1CN1CCC[C@@H]1C1CCC1)C[NH+]1CCC2CC1 ZINC000496213828 283383556 /nfs/dbraw/zinc/38/35/56/283383556.db2.gz FHOYWYJMWLJWLH-SJLPKXTDSA-N 1 3 319.449 2.125 20 0 DEADHO CC[C@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C1CC1 ZINC000618872036 363622096 /nfs/dbraw/zinc/62/20/96/363622096.db2.gz RIVAAEAHFQZJLJ-SFHVURJKSA-N 1 3 321.509 2.488 20 0 DEADHO CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@H]2CCN(CC)C2)c1C ZINC000598955257 359367128 /nfs/dbraw/zinc/36/71/28/359367128.db2.gz KWHMABZDTXQCOA-CQSZACIVSA-N 1 3 307.438 2.240 20 0 DEADHO COCC[N@H+](C)CCCC1CCN(Cc2cnc(C)n2C)CC1 ZINC000667680733 540504114 /nfs/dbraw/zinc/50/41/14/540504114.db2.gz PTCFMIICLFUWHI-UHFFFAOYSA-N 1 3 322.497 2.299 20 0 DEADHO COCC[N@@H+](C)CCCC1CCN(Cc2cnc(C)n2C)CC1 ZINC000667680733 540504118 /nfs/dbraw/zinc/50/41/18/540504118.db2.gz PTCFMIICLFUWHI-UHFFFAOYSA-N 1 3 322.497 2.299 20 0 DEADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cccc(CN)c1 ZINC000667733391 540516334 /nfs/dbraw/zinc/51/63/34/540516334.db2.gz BVCNTYSANWSTCX-CJNGLKHVSA-N 1 3 302.422 2.236 20 0 DEADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000667833334 540536068 /nfs/dbraw/zinc/53/60/68/540536068.db2.gz SMICNRCEUXFFFL-NJAFHUGGSA-N 1 3 315.461 2.256 20 0 DEADHO C[NH+](C)CCOc1ccccc1CN[C@H]1CO[C@@H](C2CC2)C1 ZINC000667816994 540533957 /nfs/dbraw/zinc/53/39/57/540533957.db2.gz JADZFHGYHLDHIJ-SJLPKXTDSA-N 1 3 304.434 2.284 20 0 DEADHO c1cc(N2CCC(C[NH2+][C@H]3CO[C@@H](C4CC4)C3)CC2)ccn1 ZINC000667923509 540550553 /nfs/dbraw/zinc/55/05/53/540550553.db2.gz OLVOWUXPSYTJQR-SJLPKXTDSA-N 1 3 301.434 2.455 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)C1CC2(C1)CCCCC2 ZINC000668302701 540642539 /nfs/dbraw/zinc/64/25/39/540642539.db2.gz NMYRRBCYEKDNQD-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO C[C@]1(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCC[NH2+]C1 ZINC000237564762 202285191 /nfs/dbraw/zinc/28/51/91/202285191.db2.gz XPPJVAYWWRTXKV-HKUYNNGSSA-N 1 3 315.461 2.329 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](CN)c1ccccc1 ZINC000237673765 202324494 /nfs/dbraw/zinc/32/44/94/202324494.db2.gz VAVXFJJOVPUEHP-WBVHZDCISA-N 1 3 303.450 2.110 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](CN)c1ccccc1 ZINC000237673765 202324498 /nfs/dbraw/zinc/32/44/98/202324498.db2.gz VAVXFJJOVPUEHP-WBVHZDCISA-N 1 3 303.450 2.110 20 0 DEADHO C[C@@H](C(=O)NCc1ccc2c(c1)C[NH2+]C2)N1CCCCCC1 ZINC000188652136 200281466 /nfs/dbraw/zinc/28/14/66/200281466.db2.gz BNGVDCZQXIXAAO-AWEZNQCLSA-N 1 3 301.434 2.171 20 0 DEADHO N[C@@H](CC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000237871089 202376218 /nfs/dbraw/zinc/37/62/18/202376218.db2.gz FOSUMCIPEGTTML-IRXDYDNUSA-N 1 3 301.434 2.163 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)C1 ZINC000601244314 359980446 /nfs/dbraw/zinc/98/04/46/359980446.db2.gz NIZJRPUQECFMCF-YESZJQIVSA-N 1 3 324.513 2.421 20 0 DEADHO C[C@H](C[NH+]1CCC(N2CC[C@H](O)C2)CC1)c1ccc(F)cc1 ZINC000668739164 540722341 /nfs/dbraw/zinc/72/23/41/540722341.db2.gz JROJPVIATXVSJV-KDOFPFPSSA-N 1 3 306.425 2.460 20 0 DEADHO Cc1nc(C)c([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)s1 ZINC000442868074 238086831 /nfs/dbraw/zinc/08/68/31/238086831.db2.gz BNBQHRIMUQNDAR-LBPRGKRZSA-N 1 3 310.511 2.437 20 0 DEADHO C[C@H](C(=O)N1CCc2sccc2C1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443075237 238103511 /nfs/dbraw/zinc/10/35/11/238103511.db2.gz RFURUKCOLTVWTN-KGLIPLIRSA-N 1 3 321.490 2.082 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)NCC[NH2+]C1CCCCCC1 ZINC000669530137 540854152 /nfs/dbraw/zinc/85/41/52/540854152.db2.gz RTINSYSOVAMNSL-MRXNPFEDSA-N 1 3 324.513 2.472 20 0 DEADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCC[NH2+]C1CC1)N(C)C ZINC000669583531 540869207 /nfs/dbraw/zinc/86/92/07/540869207.db2.gz SOARGRGYZMFCNM-WMLDXEAASA-N 1 3 318.465 2.037 20 0 DEADHO CCN(C[C@@H](C)C[N@H+](CC)C[C@@H]1CCOC1)C[C@H]1CCOC1 ZINC000605575252 360981457 /nfs/dbraw/zinc/98/14/57/360981457.db2.gz XLTNVGRUYZDVBZ-NNZMDNLPSA-N 1 3 312.498 2.339 20 0 DEADHO CCN(C[C@@H](C)C[N@@H+](CC)C[C@@H]1CCOC1)C[C@H]1CCOC1 ZINC000605575252 360981459 /nfs/dbraw/zinc/98/14/59/360981459.db2.gz XLTNVGRUYZDVBZ-NNZMDNLPSA-N 1 3 312.498 2.339 20 0 DEADHO CCN(C[C@H](C)C[N@H+](CC)C[C@H]1CCOC1)C[C@@H]1CCOC1 ZINC000605575252 360981462 /nfs/dbraw/zinc/98/14/62/360981462.db2.gz XLTNVGRUYZDVBZ-NNZMDNLPSA-N 1 3 312.498 2.339 20 0 DEADHO CCN(C[C@H](C)C[N@@H+](CC)C[C@H]1CCOC1)C[C@@H]1CCOC1 ZINC000605575252 360981465 /nfs/dbraw/zinc/98/14/65/360981465.db2.gz XLTNVGRUYZDVBZ-NNZMDNLPSA-N 1 3 312.498 2.339 20 0 DEADHO C[C@@H](NC(=O)N1CCCN(C(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC000606702110 361035739 /nfs/dbraw/zinc/03/57/39/361035739.db2.gz QEBDCMIGZGEPLM-OAHLLOKOSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000607385267 361087390 /nfs/dbraw/zinc/08/73/90/361087390.db2.gz WNHNCIDYXNGRND-KRWDZBQOSA-N 1 3 303.450 2.351 20 0 DEADHO C[C@@H](CN(C)C)NC(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000672658231 541053538 /nfs/dbraw/zinc/05/35/38/541053538.db2.gz UKSKHUBGNPQXIY-AWEZNQCLSA-N 1 3 322.453 2.089 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000672942615 541076626 /nfs/dbraw/zinc/07/66/26/541076626.db2.gz JOSQKEBDASQBTO-BRWVUGGUSA-N 1 3 322.497 2.129 20 0 DEADHO CO[C@H]1CCC[C@H](NCc2ccncc2OCCC[NH+](C)C)C1 ZINC000673852071 541151178 /nfs/dbraw/zinc/15/11/78/541151178.db2.gz ZZXUNUOWZZRPDI-IRXDYDNUSA-N 1 3 321.465 2.459 20 0 DEADHO [NH2+]=C(NCCCN1CCc2ccccc2C1)NC1CCCC1 ZINC000195522349 201399020 /nfs/dbraw/zinc/39/90/20/201399020.db2.gz MNQYXANCSPKPTI-UHFFFAOYSA-N 1 3 300.450 2.491 20 0 DEADHO CC(C)[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CCN1 ZINC000621158616 364286646 /nfs/dbraw/zinc/28/66/46/364286646.db2.gz UBKAJYHWWILCPJ-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CCN1 ZINC000621158616 364286652 /nfs/dbraw/zinc/28/66/52/364286652.db2.gz UBKAJYHWWILCPJ-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H](NC(=O)Nc1cccc(CN(C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC000623055316 364870172 /nfs/dbraw/zinc/87/01/72/364870172.db2.gz PBTYLXFQJJXIGU-UKRRQHHQSA-N 1 3 304.438 2.258 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000449082312 240032953 /nfs/dbraw/zinc/03/29/53/240032953.db2.gz MIUVAYPKECGOGD-NVXWUHKLSA-N 1 3 303.450 2.328 20 0 DEADHO CN(C)CC[N@H+](C)CCCNCc1ccc(F)c(F)c1F ZINC000623087163 364879213 /nfs/dbraw/zinc/87/92/13/364879213.db2.gz CIRZUZYTLRTCJF-UHFFFAOYSA-N 1 3 303.372 2.077 20 0 DEADHO CN(C)CC[N@@H+](C)CCCNCc1ccc(F)c(F)c1F ZINC000623087163 364879217 /nfs/dbraw/zinc/87/92/17/364879217.db2.gz CIRZUZYTLRTCJF-UHFFFAOYSA-N 1 3 303.372 2.077 20 0 DEADHO CN(CCCNCc1ccc(F)c(F)c1F)CC[NH+](C)C ZINC000623087163 364879221 /nfs/dbraw/zinc/87/92/21/364879221.db2.gz CIRZUZYTLRTCJF-UHFFFAOYSA-N 1 3 303.372 2.077 20 0 DEADHO C[NH+](C)C1CCN(CCNCc2ccnn2C2CCCC2)CC1 ZINC000449226168 240219455 /nfs/dbraw/zinc/21/94/55/240219455.db2.gz WIQOAZIHOSVYPV-UHFFFAOYSA-N 1 3 319.497 2.114 20 0 DEADHO C[C@@H](C[NH2+]CCCN1CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449220755 240220087 /nfs/dbraw/zinc/22/00/87/240220087.db2.gz RLXBDONSCFHFCN-HNNXBMFYSA-N 1 3 324.490 2.269 20 0 DEADHO C[C@@H](CNCCC[NH+]1CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449220755 240220097 /nfs/dbraw/zinc/22/00/97/240220097.db2.gz RLXBDONSCFHFCN-HNNXBMFYSA-N 1 3 324.490 2.269 20 0 DEADHO C[NH+](C)CCOc1ccc(CNCc2ccc[nH]c2=O)cc1 ZINC000623777238 365171139 /nfs/dbraw/zinc/17/11/39/365171139.db2.gz VLMQNJMUJNDGOQ-UHFFFAOYSA-N 1 3 301.390 2.017 20 0 DEADHO C[N@@H+]1CCCC[C@@H](CNC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000628750119 366952349 /nfs/dbraw/zinc/95/23/49/366952349.db2.gz NVXMOHJGMLYPHB-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO C[N@H+]1CCCC[C@@H](CNC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000628750119 366952350 /nfs/dbraw/zinc/95/23/50/366952350.db2.gz NVXMOHJGMLYPHB-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3cc(CO)ccc3F)C2)C1 ZINC000629541661 367241449 /nfs/dbraw/zinc/24/14/49/367241449.db2.gz YNFNHHOKCVRSIC-YXJHDRRASA-N 1 3 322.424 2.036 20 0 DEADHO C[C@@H]1C[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C[C@H](C)C1(F)F ZINC000629552505 367246115 /nfs/dbraw/zinc/24/61/15/367246115.db2.gz LDIRLOMOXAHOJV-XRGAULLZSA-N 1 3 312.404 2.140 20 0 DEADHO C[C@@H]1C[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C[C@H](C)C1(F)F ZINC000629552505 367246120 /nfs/dbraw/zinc/24/61/20/367246120.db2.gz LDIRLOMOXAHOJV-XRGAULLZSA-N 1 3 312.404 2.140 20 0 DEADHO Fc1ccc([C@@H]2CCCN(CCN3CC[NH2+]CC3)C2)cc1F ZINC000629550591 367246781 /nfs/dbraw/zinc/24/67/81/367246781.db2.gz OQRKPTXJAHYHJA-OAHLLOKOSA-N 1 3 309.404 2.049 20 0 DEADHO CCOc1ccc(C[C@@H](C)CNC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000629580343 367260892 /nfs/dbraw/zinc/26/08/92/367260892.db2.gz RAPVPXJOLBEPLX-SJLPKXTDSA-N 1 3 320.477 2.310 20 0 DEADHO CC[N@H+](C)Cc1cccc(CNC(=O)CN(C)C2CCC2)c1 ZINC000629951206 367392917 /nfs/dbraw/zinc/39/29/17/367392917.db2.gz BGRHOCRBGQCARL-UHFFFAOYSA-N 1 3 303.450 2.239 20 0 DEADHO CC[N@@H+](C)Cc1cccc(CNC(=O)CN(C)C2CCC2)c1 ZINC000629951206 367392923 /nfs/dbraw/zinc/39/29/23/367392923.db2.gz BGRHOCRBGQCARL-UHFFFAOYSA-N 1 3 303.450 2.239 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001369419592 1148962443 /nfs/dbraw/zinc/96/24/43/1148962443.db2.gz KLVKMDDTLFXDIW-JKSUJKDBSA-N 1 3 311.514 2.495 20 0 DEADHO C[C@@H](C[NH3+])C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000262422704 203290848 /nfs/dbraw/zinc/29/08/48/203290848.db2.gz SAMSWPKLCFZBBJ-UONOGXRCSA-N 1 3 309.479 2.232 20 0 DEADHO C[NH2+]CCCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000262679397 203377273 /nfs/dbraw/zinc/37/72/73/203377273.db2.gz VVVKQIISVOSTLS-SJLPKXTDSA-N 1 3 317.477 2.498 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)C2([NH3+])CCCCC2)CN1Cc1ccccc1 ZINC000262683661 203379318 /nfs/dbraw/zinc/37/93/18/203379318.db2.gz ZNCYDFBMJFLHHO-WBVHZDCISA-N 1 3 315.461 2.427 20 0 DEADHO C[C@H]1C[C@@H](Nc2cccc(CN3CCN(C)CC3)c2)CC[N@@H+]1C ZINC000679010797 541795817 /nfs/dbraw/zinc/79/58/17/541795817.db2.gz JUYTYGWQYOWILC-LPHOPBHVSA-N 1 3 316.493 2.329 20 0 DEADHO C[C@H]1C[C@@H](Nc2cccc(CN3CCN(C)CC3)c2)CC[N@H+]1C ZINC000679010797 541795822 /nfs/dbraw/zinc/79/58/22/541795822.db2.gz JUYTYGWQYOWILC-LPHOPBHVSA-N 1 3 316.493 2.329 20 0 DEADHO C[C@H](CCCCO)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000679346805 541842077 /nfs/dbraw/zinc/84/20/77/541842077.db2.gz MCOSBOMBPKSCFJ-MRXNPFEDSA-N 1 3 320.477 2.284 20 0 DEADHO CCN1CCCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000264727483 204107634 /nfs/dbraw/zinc/10/76/34/204107634.db2.gz HIQXGBNAHHNTQE-UHFFFAOYSA-N 1 3 315.461 2.450 20 0 DEADHO CC(C)N1CC[C@@H](N(C)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000458327560 248264357 /nfs/dbraw/zinc/26/43/57/248264357.db2.gz JYYRXKMBCLQIDD-DLBZAZTESA-N 1 3 324.513 2.231 20 0 DEADHO CC(C)N1CC[C@@H](N(C)C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000458327560 248264361 /nfs/dbraw/zinc/26/43/61/248264361.db2.gz JYYRXKMBCLQIDD-DLBZAZTESA-N 1 3 324.513 2.231 20 0 DEADHO C[C@@H]1CN(Cc2ccc(OCC[NH+](C)C)cc2)[C@H](C)CN1C ZINC000681492128 542155948 /nfs/dbraw/zinc/15/59/48/542155948.db2.gz OOXJHKVDMLLNSU-HZPDHXFCSA-N 1 3 305.466 2.151 20 0 DEADHO C[C@@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC[C@@H]1O ZINC000681752800 542201089 /nfs/dbraw/zinc/20/10/89/542201089.db2.gz HBWHAGIHQISTDA-APWZRJJASA-N 1 3 318.461 2.364 20 0 DEADHO CC[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)C1CC1 ZINC000268835811 207000069 /nfs/dbraw/zinc/00/00/69/207000069.db2.gz UIAPNHIHKFGWTR-GOSISDBHSA-N 1 3 302.466 2.372 20 0 DEADHO CCN(C[C@@H]1CCN(C[C@H]2CCC[NH2+]C2)C1)CC(F)(F)F ZINC000347002718 285033305 /nfs/dbraw/zinc/03/33/05/285033305.db2.gz JOQFDHZYIWQBGG-KBPBESRZSA-N 1 3 307.404 2.192 20 0 DEADHO CCN(C[C@@H]1CC[N@H+](C[C@H]2CCCNC2)C1)CC(F)(F)F ZINC000347002718 285033308 /nfs/dbraw/zinc/03/33/08/285033308.db2.gz JOQFDHZYIWQBGG-KBPBESRZSA-N 1 3 307.404 2.192 20 0 DEADHO CCN(C[C@@H]1CC[N@@H+](C[C@H]2CCCNC2)C1)CC(F)(F)F ZINC000347002718 285033312 /nfs/dbraw/zinc/03/33/12/285033312.db2.gz JOQFDHZYIWQBGG-KBPBESRZSA-N 1 3 307.404 2.192 20 0 DEADHO C[N@H+]1CC=C(CNC(=O)c2ccc(Nc3ccncc3)cc2)CC1 ZINC000538341675 285032680 /nfs/dbraw/zinc/03/26/80/285032680.db2.gz GQBNTDLCHFEJIJ-UHFFFAOYSA-N 1 3 322.412 2.239 20 0 DEADHO C[N@@H+]1CC=C(CNC(=O)c2ccc(Nc3ccncc3)cc2)CC1 ZINC000538341675 285032685 /nfs/dbraw/zinc/03/26/85/285032685.db2.gz GQBNTDLCHFEJIJ-UHFFFAOYSA-N 1 3 322.412 2.239 20 0 DEADHO CSc1ccc([C@H](CNC(=O)NCC(C)(C)[NH3+])N(C)C)cc1 ZINC000418236722 533005235 /nfs/dbraw/zinc/00/52/35/533005235.db2.gz UZQKFJRKKUPIKN-AWEZNQCLSA-N 1 3 324.494 2.048 20 0 DEADHO CN1CCC[C@@H](N2CCC(CCC[NH+]3CCCC3)CC2)C1=O ZINC000538712517 285052104 /nfs/dbraw/zinc/05/21/04/285052104.db2.gz NPMVMQHCTBOEPB-QGZVFWFLSA-N 1 3 307.482 2.195 20 0 DEADHO C[NH2+][C@H]1CCCN(C(=O)Nc2ccccc2CCN(C)C)C1 ZINC000415559914 533022392 /nfs/dbraw/zinc/02/23/92/533022392.db2.gz FLUPFFJZDDRXKN-HNNXBMFYSA-N 1 3 304.438 2.006 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N(CCN(C)C)C(C)C)CC1 ZINC000158266702 197258318 /nfs/dbraw/zinc/25/83/18/197258318.db2.gz GVZPUSQSYBTPJK-UHFFFAOYSA-N 1 3 312.502 2.233 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000157892737 197224376 /nfs/dbraw/zinc/22/43/76/197224376.db2.gz KTMLWZZUPHXVMT-MRXNPFEDSA-N 1 3 312.502 2.090 20 0 DEADHO C[C@@H](NC(=O)NC1CCC([NH3+])CC1)[C@H](c1ccccc1)N(C)C ZINC000418191346 533146461 /nfs/dbraw/zinc/14/64/61/533146461.db2.gz XIFHRDLWCSGYBY-LHUBUQBQSA-N 1 3 318.465 2.247 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000155315582 197043672 /nfs/dbraw/zinc/04/36/72/197043672.db2.gz XBRCQGINUHPSIV-ROUUACIJSA-N 1 3 315.461 2.305 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000155315582 197043674 /nfs/dbraw/zinc/04/36/74/197043674.db2.gz XBRCQGINUHPSIV-ROUUACIJSA-N 1 3 315.461 2.305 20 0 DEADHO COC[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)C1CC1 ZINC000305184076 285238993 /nfs/dbraw/zinc/23/89/93/285238993.db2.gz WVYCUSMIXCAGIQ-LJQANCHMSA-N 1 3 318.461 2.158 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccco1 ZINC000299586473 285243517 /nfs/dbraw/zinc/24/35/17/285243517.db2.gz BMMQGNUKRCWTMU-MRXNPFEDSA-N 1 3 321.465 2.087 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccco1 ZINC000299586473 285243519 /nfs/dbraw/zinc/24/35/19/285243519.db2.gz BMMQGNUKRCWTMU-MRXNPFEDSA-N 1 3 321.465 2.087 20 0 DEADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCN1CCCC(C)(C)C1 ZINC000683571780 542472941 /nfs/dbraw/zinc/47/29/41/542472941.db2.gz DACVBHSNFVSDDG-INIZCTEOSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@@H](C(=O)N1CCc2sccc2C1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443075234 533222302 /nfs/dbraw/zinc/22/23/02/533222302.db2.gz RFURUKCOLTVWTN-KBPBESRZSA-N 1 3 321.490 2.082 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@@H]2CC[NH2+][C@@H]2CC)N(C)C)cc1 ZINC000289835581 221258699 /nfs/dbraw/zinc/25/86/99/221258699.db2.gz DVKOGGNNSMWFNP-KURKYZTESA-N 1 3 317.477 2.356 20 0 DEADHO C[C@]1(O)CCCN(C/C=C\C[N@@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000684213060 542573086 /nfs/dbraw/zinc/57/30/86/542573086.db2.gz SPAOIQNYLICMRX-OOUWWJCLSA-N 1 3 310.482 2.016 20 0 DEADHO C[C@]1(O)CCCN(C/C=C\C[N@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000684213060 542573090 /nfs/dbraw/zinc/57/30/90/542573090.db2.gz SPAOIQNYLICMRX-OOUWWJCLSA-N 1 3 310.482 2.016 20 0 DEADHO C[C@@H](NC(C)(C)CNC(=O)N(C)CCC[NH3+])c1ccccc1 ZINC000561197090 291955355 /nfs/dbraw/zinc/95/53/55/291955355.db2.gz OXIDORMHQAWQGO-CQSZACIVSA-N 1 3 306.454 2.106 20 0 DEADHO COc1cccc(CCCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422939475 533457468 /nfs/dbraw/zinc/45/74/68/533457468.db2.gz FUVDETOIWPHTQL-CEXWTWQISA-N 1 3 318.461 2.375 20 0 DEADHO COc1cccc(CCCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422939477 533457647 /nfs/dbraw/zinc/45/76/47/533457647.db2.gz FUVDETOIWPHTQL-GUDVDZBRSA-N 1 3 318.461 2.375 20 0 DEADHO COc1ccc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000422717315 533499155 /nfs/dbraw/zinc/49/91/55/533499155.db2.gz VKIVPENMHANUPC-BHYGNILZSA-N 1 3 322.424 2.124 20 0 DEADHO CN1CCC[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000684792725 542664867 /nfs/dbraw/zinc/66/48/67/542664867.db2.gz XQCQPAWBDJDCGU-WBVHZDCISA-N 1 3 322.497 2.177 20 0 DEADHO CN1CCC[C@@H](NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000684792725 542664869 /nfs/dbraw/zinc/66/48/69/542664869.db2.gz XQCQPAWBDJDCGU-WBVHZDCISA-N 1 3 322.497 2.177 20 0 DEADHO C[N@@H+]1CC[C@@H](NCCN2CCSCC2)C[C@H]1c1ccccc1 ZINC000340234470 131243288 /nfs/dbraw/zinc/24/32/88/131243288.db2.gz JCDFLYMOFXXELJ-MSOLQXFVSA-N 1 3 319.518 2.460 20 0 DEADHO C[N@H+]1CC[C@@H](NCCN2CCSCC2)C[C@H]1c1ccccc1 ZINC000340234470 131243289 /nfs/dbraw/zinc/24/32/89/131243289.db2.gz JCDFLYMOFXXELJ-MSOLQXFVSA-N 1 3 319.518 2.460 20 0 DEADHO C[NH2+]CCCNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000121307692 132153756 /nfs/dbraw/zinc/15/37/56/132153756.db2.gz HBGITESFLULNJR-MRXNPFEDSA-N 1 3 317.477 2.055 20 0 DEADHO CN1CCN(CCCC[NH2+][C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000546686378 285516622 /nfs/dbraw/zinc/51/66/22/285516622.db2.gz KMHGUJKZUWOQBE-SFHVURJKSA-N 1 3 320.456 2.289 20 0 DEADHO C[C@@H](CNC(=O)NCC1([NH+](C)C)CCCCC1)N(C)C1CC1 ZINC000356093351 133065149 /nfs/dbraw/zinc/06/51/49/133065149.db2.gz JXHXRSCRLAVIRH-AWEZNQCLSA-N 1 3 310.486 2.033 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NC1CCN(C2CC2)CC1 ZINC000357638820 133090533 /nfs/dbraw/zinc/09/05/33/133090533.db2.gz MWJQRCVHUUPLCU-AWEZNQCLSA-N 1 3 310.486 2.033 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NC1CCN(C2CC2)CC1 ZINC000357638820 133090534 /nfs/dbraw/zinc/09/05/34/133090534.db2.gz MWJQRCVHUUPLCU-AWEZNQCLSA-N 1 3 310.486 2.033 20 0 DEADHO CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000360049692 133159171 /nfs/dbraw/zinc/15/91/71/133159171.db2.gz GFERGESADBNZEP-DOTOQJQBSA-N 1 3 324.513 2.233 20 0 DEADHO CCC[C@@H]1C[C@H]1C(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000360156853 133165663 /nfs/dbraw/zinc/16/56/63/133165663.db2.gz RILZJHYOFCENGM-IXDOHACOSA-N 1 3 309.498 2.297 20 0 DEADHO CCC[C@@H]1C[C@H]1C(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000360156853 133165664 /nfs/dbraw/zinc/16/56/64/133165664.db2.gz RILZJHYOFCENGM-IXDOHACOSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@@H]1CN(CCOc2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000362077052 133209234 /nfs/dbraw/zinc/20/92/34/133209234.db2.gz IFJVXBOTMILVLC-IEBWSBKVSA-N 1 3 317.477 2.023 20 0 DEADHO C[C@@H]1C[N@H+](CCOc2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000362077052 133209235 /nfs/dbraw/zinc/20/92/35/133209235.db2.gz IFJVXBOTMILVLC-IEBWSBKVSA-N 1 3 317.477 2.023 20 0 DEADHO C[C@@H]1C[N@@H+](CCOc2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000362077052 133209236 /nfs/dbraw/zinc/20/92/36/133209236.db2.gz IFJVXBOTMILVLC-IEBWSBKVSA-N 1 3 317.477 2.023 20 0 DEADHO C[C@H]1C[C@@H](N(C)C(=O)c2ccccc2CN(C)C)CC[N@@H+]1C ZINC000362824800 133253211 /nfs/dbraw/zinc/25/32/11/133253211.db2.gz DXPPIYMZEJCDOV-HOCLYGCPSA-N 1 3 303.450 2.303 20 0 DEADHO C[C@H]1C[C@@H](N(C)C(=O)c2ccccc2CN(C)C)CC[N@H+]1C ZINC000362824800 133253212 /nfs/dbraw/zinc/25/32/12/133253212.db2.gz DXPPIYMZEJCDOV-HOCLYGCPSA-N 1 3 303.450 2.303 20 0 DEADHO C[C@@H]1C[C@H](N(C)C(=O)c2ccccc2CN(C)C)CC[N@@H+]1C ZINC000362824798 133253450 /nfs/dbraw/zinc/25/34/50/133253450.db2.gz DXPPIYMZEJCDOV-GDBMZVCRSA-N 1 3 303.450 2.303 20 0 DEADHO C[C@@H]1C[C@H](N(C)C(=O)c2ccccc2CN(C)C)CC[N@H+]1C ZINC000362824798 133253451 /nfs/dbraw/zinc/25/34/51/133253451.db2.gz DXPPIYMZEJCDOV-GDBMZVCRSA-N 1 3 303.450 2.303 20 0 DEADHO C[C@@H](O)c1ncc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)s1 ZINC000377881868 133350038 /nfs/dbraw/zinc/35/00/38/133350038.db2.gz AIEJHYLFNKNSLR-OCCSQVGLSA-N 1 3 309.479 2.360 20 0 DEADHO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000279683985 285618050 /nfs/dbraw/zinc/61/80/50/285618050.db2.gz HMQMUMKNRSNXON-QFBILLFUSA-N 1 3 319.493 2.378 20 0 DEADHO CCNC(=O)CCN(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000563713532 292070863 /nfs/dbraw/zinc/07/08/63/292070863.db2.gz FYUCOAXHALUAHA-OAHLLOKOSA-N 1 3 323.506 2.336 20 0 DEADHO CCNC(=O)CCN(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000563713532 292070864 /nfs/dbraw/zinc/07/08/64/292070864.db2.gz FYUCOAXHALUAHA-OAHLLOKOSA-N 1 3 323.506 2.336 20 0 DEADHO Cn1c2cccc(F)c2nc1CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246406163 145102428 /nfs/dbraw/zinc/10/24/28/145102428.db2.gz MCZFJMJGQJYFRI-KGLIPLIRSA-N 1 3 316.424 2.471 20 0 DEADHO Cn1c2cccc(F)c2nc1CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246406163 145102429 /nfs/dbraw/zinc/10/24/29/145102429.db2.gz MCZFJMJGQJYFRI-KGLIPLIRSA-N 1 3 316.424 2.471 20 0 DEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H](C)N(C)C1CC1 ZINC000246508929 145105186 /nfs/dbraw/zinc/10/51/86/145105186.db2.gz UNNYQFYAVLQFTR-FZKCQIBNSA-N 1 3 324.513 2.135 20 0 DEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H](C)N(C)C1CC1 ZINC000246508929 145105187 /nfs/dbraw/zinc/10/51/87/145105187.db2.gz UNNYQFYAVLQFTR-FZKCQIBNSA-N 1 3 324.513 2.135 20 0 DEADHO CCNC(=O)c1cccc(C[NH2+][C@H]2CCN(CC)C[C@H]2C)c1 ZINC000246868732 145117494 /nfs/dbraw/zinc/11/74/94/145117494.db2.gz CKGJWYMOLQFKHK-PBHICJAKSA-N 1 3 303.450 2.256 20 0 DEADHO CCNC(=O)c1ccc(C[NH2+][C@H]2CCN(CC)C[C@H]2C)cc1 ZINC000246871310 145118097 /nfs/dbraw/zinc/11/80/97/145118097.db2.gz DLAAUAZZALQLLL-PBHICJAKSA-N 1 3 303.450 2.256 20 0 DEADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ncccc3F)C2)[C@@H](C)C1 ZINC000247253313 145130734 /nfs/dbraw/zinc/13/07/34/145130734.db2.gz YLZQNLUQZPJIQS-LZWOXQAQSA-N 1 3 306.429 2.119 20 0 DEADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(c3ncccc3F)C2)[C@@H](C)C1 ZINC000247253313 145130735 /nfs/dbraw/zinc/13/07/35/145130735.db2.gz YLZQNLUQZPJIQS-LZWOXQAQSA-N 1 3 306.429 2.119 20 0 DEADHO C[NH2+]C[C@@](C)(O)CN1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000565094302 292133623 /nfs/dbraw/zinc/13/36/23/292133623.db2.gz ZURNKAHMEIECEX-MOPGFXCFSA-N 1 3 302.462 2.327 20 0 DEADHO CNC[C@@](C)(O)C[N@@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000565094302 292133626 /nfs/dbraw/zinc/13/36/26/292133626.db2.gz ZURNKAHMEIECEX-MOPGFXCFSA-N 1 3 302.462 2.327 20 0 DEADHO CNC[C@@](C)(O)C[N@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000565094302 292133627 /nfs/dbraw/zinc/13/36/27/292133627.db2.gz ZURNKAHMEIECEX-MOPGFXCFSA-N 1 3 302.462 2.327 20 0 DEADHO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1CC1CC[NH2+]CC1 ZINC000261921778 145241908 /nfs/dbraw/zinc/24/19/08/145241908.db2.gz KOFALMIYXVXWTC-IRXDYDNUSA-N 1 3 302.418 2.365 20 0 DEADHO COc1cc(CN2CCC([C@@H](C)[NH3+])CC2)cc(OC)c1OC ZINC000262007006 145252625 /nfs/dbraw/zinc/25/26/25/145252625.db2.gz VWQHGZTVMYCOGZ-GFCCVEGCSA-N 1 3 308.422 2.272 20 0 DEADHO c1cc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc(-c2ccncc2)c1 ZINC000262102492 145262338 /nfs/dbraw/zinc/26/23/38/145262338.db2.gz IZUFPVRMWRISQE-HXUWFJFHSA-N 1 3 322.456 2.228 20 0 DEADHO C[C@@H](CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)N1CCC[C@H](C)C1 ZINC000262338741 145277894 /nfs/dbraw/zinc/27/78/94/145277894.db2.gz HROXPBZRSKIKNQ-NBOOPKSLSA-N 1 3 307.482 2.003 20 0 DEADHO C[C@@H]1C[C@H](N(C)C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CCN1C ZINC000262377988 145280059 /nfs/dbraw/zinc/28/00/59/145280059.db2.gz XNDOJVXNNDWLAX-IZBFETAHSA-N 1 3 307.482 2.081 20 0 DEADHO COc1cccc(N2CCN(C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000262442095 145284229 /nfs/dbraw/zinc/28/42/29/145284229.db2.gz GVSVCSLENLHCPK-JKSUJKDBSA-N 1 3 303.450 2.205 20 0 DEADHO CC(C)Cc1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262473146 145286086 /nfs/dbraw/zinc/28/60/86/145286086.db2.gz JJLRANDKAFFVJE-IBGZPJMESA-N 1 3 301.478 2.365 20 0 DEADHO CNC(=O)c1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000323871136 145381176 /nfs/dbraw/zinc/38/11/76/145381176.db2.gz RNZITLKZIIAIJP-UHFFFAOYSA-N 1 3 324.428 2.200 20 0 DEADHO C[NH+]1CCC(O)(CNCc2cnc(C3CCCC3)s2)CC1 ZINC000344581065 145892471 /nfs/dbraw/zinc/89/24/71/145892471.db2.gz JZYCRLVMUBFZLX-UHFFFAOYSA-N 1 3 309.479 2.347 20 0 DEADHO C[C@H](CN(C)C)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000346258614 146048508 /nfs/dbraw/zinc/04/85/08/146048508.db2.gz JZOJASKMKWPYAU-MRXNPFEDSA-N 1 3 317.477 2.355 20 0 DEADHO C[C@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)[C@H]1CCCO1 ZINC000346559633 146101623 /nfs/dbraw/zinc/10/16/23/146101623.db2.gz MHLJQDNSBDYROQ-HNAYVOBHSA-N 1 3 318.461 2.300 20 0 DEADHO CCOc1ccc(CN2CCC(OCCC[NH3+])CC2)cc1OC ZINC000346688552 146125074 /nfs/dbraw/zinc/12/50/74/146125074.db2.gz XVDYTCDAUFLIHB-UHFFFAOYSA-N 1 3 322.449 2.424 20 0 DEADHO COc1ccc(-c2n[nH]cc2CN2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000346690313 146125146 /nfs/dbraw/zinc/12/51/46/146125146.db2.gz UDQDUMNLPGBQOT-CHWSQXEVSA-N 1 3 300.406 2.254 20 0 DEADHO Cc1cccc(NC(=O)[C@@H]2CCCN(C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000346842626 146151962 /nfs/dbraw/zinc/15/19/62/146151962.db2.gz IILQCOLINJVQHU-HZPDHXFCSA-N 1 3 316.449 2.040 20 0 DEADHO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](C[C@@H]3CCCNC3)C2)n1 ZINC000346842626 146151964 /nfs/dbraw/zinc/15/19/64/146151964.db2.gz IILQCOLINJVQHU-HZPDHXFCSA-N 1 3 316.449 2.040 20 0 DEADHO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](C[C@@H]3CCCNC3)C2)n1 ZINC000346842626 146151966 /nfs/dbraw/zinc/15/19/66/146151966.db2.gz IILQCOLINJVQHU-HZPDHXFCSA-N 1 3 316.449 2.040 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cc(-n4ccnc4)cs3)C[C@@H]21 ZINC000346851829 146153510 /nfs/dbraw/zinc/15/35/10/146153510.db2.gz RDDYQNNYDOYASO-UHOFOFEASA-N 1 3 302.447 2.493 20 0 DEADHO Cn1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(-c2ccncc2)n1 ZINC000346857558 146154205 /nfs/dbraw/zinc/15/42/05/146154205.db2.gz WYCQHSIYYZGACW-XIRDDKMYSA-N 1 3 311.433 2.041 20 0 DEADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC2CCN(C)CC2)C1 ZINC000347047679 146185596 /nfs/dbraw/zinc/18/55/96/146185596.db2.gz VJZPZDDUPLKQGE-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CC2CCN(C)CC2)C1 ZINC000347047679 146185597 /nfs/dbraw/zinc/18/55/97/146185597.db2.gz VJZPZDDUPLKQGE-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000348632769 146292920 /nfs/dbraw/zinc/29/29/20/146292920.db2.gz CPIHVYDHBADHFQ-INIZCTEOSA-N 1 3 324.513 2.425 20 0 DEADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCCc1cccc(F)c1 ZINC000348757539 146303357 /nfs/dbraw/zinc/30/33/57/146303357.db2.gz WUTDJOPHHWIAJT-QGZVFWFLSA-N 1 3 321.440 2.078 20 0 DEADHO CN1CCC[C@@H]1C(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000356995341 147018621 /nfs/dbraw/zinc/01/86/21/147018621.db2.gz PGUTZCMJGXUGEM-GOSISDBHSA-N 1 3 317.477 2.104 20 0 DEADHO [NH3+]CCOCCN1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000357078690 147037113 /nfs/dbraw/zinc/03/71/13/147037113.db2.gz RTSLUEGNPHNWSJ-GFCCVEGCSA-N 1 3 300.805 2.461 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCN1CCCC(C)(C)C1 ZINC000358287130 147106177 /nfs/dbraw/zinc/10/61/77/147106177.db2.gz CLPSJWKYSYKQBV-INIZCTEOSA-N 1 3 324.513 2.282 20 0 DEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NCCN1CCCC(C)(C)C1 ZINC000358287130 147106180 /nfs/dbraw/zinc/10/61/80/147106180.db2.gz CLPSJWKYSYKQBV-INIZCTEOSA-N 1 3 324.513 2.282 20 0 DEADHO CCCCN(CCCC)C(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358510390 147147470 /nfs/dbraw/zinc/14/74/70/147147470.db2.gz RJYSRNUKXDNQQX-UHFFFAOYSA-N 1 3 309.498 2.491 20 0 DEADHO CCCN(C)CC(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000358558871 147155859 /nfs/dbraw/zinc/15/58/59/147155859.db2.gz YJGNBKTXSZLYKU-UHFFFAOYSA-N 1 3 305.466 2.486 20 0 DEADHO CCCN(C)CC(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000358609578 147166183 /nfs/dbraw/zinc/16/61/83/147166183.db2.gz DLWPOEBXKDVZHV-UHFFFAOYSA-N 1 3 309.429 2.058 20 0 DEADHO NC[C@H](C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(F)cc1 ZINC000358855023 147219388 /nfs/dbraw/zinc/21/93/88/147219388.db2.gz HUUKBURICHCAMV-RDJZCZTQSA-N 1 3 319.424 2.001 20 0 DEADHO NC[C@H](C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc(F)cc1 ZINC000358855023 147219391 /nfs/dbraw/zinc/21/93/91/147219391.db2.gz HUUKBURICHCAMV-RDJZCZTQSA-N 1 3 319.424 2.001 20 0 DEADHO C[C@@H]1CCC[C@@](CNC(=O)N[C@H]2CCN(C3CC3)C2)([NH+](C)C)C1 ZINC000359353104 147312681 /nfs/dbraw/zinc/31/26/81/147312681.db2.gz QAPDPYFRKINVDG-RVKKMQEKSA-N 1 3 322.497 2.033 20 0 DEADHO Cc1nc(CN2CCC(C[NH2+][C@H]3CCC[C@@H](N)C3)CC2)oc1C ZINC000565550408 292170658 /nfs/dbraw/zinc/17/06/58/292170658.db2.gz XHXXGIYQLQLJHN-SJORKVTESA-N 1 3 320.481 2.363 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)c1coc(-c2c(F)cccc2F)n1 ZINC000565659999 292175517 /nfs/dbraw/zinc/17/55/17/292175517.db2.gz MEPRMEWGNSNMAK-IUCAKERBSA-N 1 3 309.316 2.475 20 0 DEADHO CC(C)COC(=O)N1CCC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000370377080 148011820 /nfs/dbraw/zinc/01/18/20/148011820.db2.gz LOSQEJLJPCUFQM-IAGOWNOFSA-N 1 3 323.481 2.460 20 0 DEADHO CC(C)COC(=O)N1CCC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000370377080 148011824 /nfs/dbraw/zinc/01/18/24/148011824.db2.gz LOSQEJLJPCUFQM-IAGOWNOFSA-N 1 3 323.481 2.460 20 0 DEADHO CC(C)COC(=O)N1CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000370377080 148011826 /nfs/dbraw/zinc/01/18/26/148011826.db2.gz LOSQEJLJPCUFQM-IAGOWNOFSA-N 1 3 323.481 2.460 20 0 DEADHO CCN(CC)CC[N@H+](C)C1CCN(Cc2ccncc2)CC1 ZINC000371205941 148072618 /nfs/dbraw/zinc/07/26/18/148072618.db2.gz CJWJFVWKEJLXQM-UHFFFAOYSA-N 1 3 304.482 2.320 20 0 DEADHO CCN(CC)CC[N@@H+](C)C1CCN(Cc2ccncc2)CC1 ZINC000371205941 148072620 /nfs/dbraw/zinc/07/26/20/148072620.db2.gz CJWJFVWKEJLXQM-UHFFFAOYSA-N 1 3 304.482 2.320 20 0 DEADHO CC[NH+](CC)CCN(C)C1CCN(Cc2ccncc2)CC1 ZINC000371205941 148072621 /nfs/dbraw/zinc/07/26/21/148072621.db2.gz CJWJFVWKEJLXQM-UHFFFAOYSA-N 1 3 304.482 2.320 20 0 DEADHO O[C@H](CNC1CC[NH+](C2CCC2)CC1)COCc1ccccc1 ZINC000565887682 292188966 /nfs/dbraw/zinc/18/89/66/292188966.db2.gz AQNFGMQHQLLHAG-LJQANCHMSA-N 1 3 318.461 2.171 20 0 DEADHO c1ccc(NCCCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422759505 296615648 /nfs/dbraw/zinc/61/56/48/296615648.db2.gz PIOXSWNWHIEMDP-KZNAEPCWSA-N 1 3 303.450 2.235 20 0 DEADHO CC(C)[C@@H](CNC(=O)NC1CCN(C)CC1)[NH+]1CCCCCC1 ZINC000126443314 401694559 /nfs/dbraw/zinc/69/45/59/401694559.db2.gz YSZUQDNBNCOYFB-QGZVFWFLSA-N 1 3 324.513 2.280 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)NCCN2CCCCC2)CC1 ZINC000071925382 401698038 /nfs/dbraw/zinc/69/80/38/401698038.db2.gz KKZIIJUDFRTKLA-UHFFFAOYSA-N 1 3 324.513 2.284 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000073659809 401719981 /nfs/dbraw/zinc/71/99/81/401719981.db2.gz VPTBRLCECAJMJM-INIZCTEOSA-N 1 3 324.513 2.140 20 0 DEADHO C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000113456174 401779108 /nfs/dbraw/zinc/77/91/08/401779108.db2.gz AIXJXRWVJRYHEB-ZWKOTPCHSA-N 1 3 315.461 2.061 20 0 DEADHO CN(C)C[C@@H]1CC[N@H+](CCCOc2ccc3c(c2)OCO3)C1 ZINC000113515652 401781564 /nfs/dbraw/zinc/78/15/64/401781564.db2.gz AQXKDZOXPMLOIG-AWEZNQCLSA-N 1 3 306.406 2.068 20 0 DEADHO CN(C)C[C@@H]1CC[N@@H+](CCCOc2ccc3c(c2)OCO3)C1 ZINC000113515652 401781567 /nfs/dbraw/zinc/78/15/67/401781567.db2.gz AQXKDZOXPMLOIG-AWEZNQCLSA-N 1 3 306.406 2.068 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1(CC)CC1 ZINC000079130078 401870771 /nfs/dbraw/zinc/87/07/71/401870771.db2.gz IZCCIPJIWORFLA-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1(CC)CC1 ZINC000079130078 401870774 /nfs/dbraw/zinc/87/07/74/401870774.db2.gz IZCCIPJIWORFLA-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H]1CCCN(CCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000042909555 401935949 /nfs/dbraw/zinc/93/59/49/401935949.db2.gz CJQBMTWZPJKJCN-AWEZNQCLSA-N 1 3 324.513 2.327 20 0 DEADHO CN(C)CCOc1cc(C[NH2+]C[C@@H]2C[C@@H]3C=C[C@H]2C3)ccn1 ZINC000136240549 401963663 /nfs/dbraw/zinc/96/36/63/401963663.db2.gz OKGXGFOPXTZQFF-PVAVHDDUSA-N 1 3 301.434 2.324 20 0 DEADHO C[C@@H](CC1CC1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000090038876 401979237 /nfs/dbraw/zinc/97/92/37/401979237.db2.gz IHYJRFUANWIUII-AWEZNQCLSA-N 1 3 303.450 2.256 20 0 DEADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)C1(C)CC1 ZINC000090038613 401979423 /nfs/dbraw/zinc/97/94/23/401979423.db2.gz TUIUTXLQAMFQNT-CQSZACIVSA-N 1 3 303.450 2.256 20 0 DEADHO CCCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)C1 ZINC000151135089 402018270 /nfs/dbraw/zinc/01/82/70/402018270.db2.gz SWKWPWKTGSIWLJ-LSDHHAIUSA-N 1 3 314.437 2.045 20 0 DEADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)CNC3CC3)cc2)C1 ZINC000566180712 292215041 /nfs/dbraw/zinc/21/50/41/292215041.db2.gz CPAOIWLFZGXQTO-AWEZNQCLSA-N 1 3 317.433 2.098 20 0 DEADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)CNC3CC3)cc2)C1 ZINC000566180712 292215043 /nfs/dbraw/zinc/21/50/43/292215043.db2.gz CPAOIWLFZGXQTO-AWEZNQCLSA-N 1 3 317.433 2.098 20 0 DEADHO CN(C)CCN1CCC([NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000150947237 402006579 /nfs/dbraw/zinc/00/65/79/402006579.db2.gz AOJSRUUMCYHXMT-SFHVURJKSA-N 1 3 305.441 2.429 20 0 DEADHO C[C@H](C(=O)NCC[NH+](C)C)N1CCC(Cc2ccccc2)CC1 ZINC000096280603 402076135 /nfs/dbraw/zinc/07/61/35/402076135.db2.gz QANHLEQDTNMMRC-MRXNPFEDSA-N 1 3 317.477 2.007 20 0 DEADHO CN(C)CCN(C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CCCC1 ZINC000151907646 402064572 /nfs/dbraw/zinc/06/45/72/402064572.db2.gz OTXZTTPWAZCIRS-DOTOQJQBSA-N 1 3 324.513 2.375 20 0 DEADHO CC[N@H+](C)CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000066988089 402149298 /nfs/dbraw/zinc/14/92/98/402149298.db2.gz KGUVGRPEHJVUJV-AWEZNQCLSA-N 1 3 324.494 2.136 20 0 DEADHO CC[N@@H+](C)CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000066988089 402149300 /nfs/dbraw/zinc/14/93/00/402149300.db2.gz KGUVGRPEHJVUJV-AWEZNQCLSA-N 1 3 324.494 2.136 20 0 DEADHO CC1CCN(CCNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000106530324 402214080 /nfs/dbraw/zinc/21/40/80/402214080.db2.gz BIIVYTWBWQPPTI-MRXNPFEDSA-N 1 3 322.497 2.034 20 0 DEADHO CC1CCN(CCNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000106530324 402214082 /nfs/dbraw/zinc/21/40/82/402214082.db2.gz BIIVYTWBWQPPTI-MRXNPFEDSA-N 1 3 322.497 2.034 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N(C)C ZINC000125120219 402214432 /nfs/dbraw/zinc/21/44/32/402214432.db2.gz YSSFLLPJPWVVLJ-MSOLQXFVSA-N 1 3 317.477 2.007 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N(C)C ZINC000125120219 402214433 /nfs/dbraw/zinc/21/44/33/402214433.db2.gz YSSFLLPJPWVVLJ-MSOLQXFVSA-N 1 3 317.477 2.007 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000125485928 402235551 /nfs/dbraw/zinc/23/55/51/402235551.db2.gz KBELVHFPMZUHHG-JKSUJKDBSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCOc1cccc(Br)c1 ZINC000216161611 402286675 /nfs/dbraw/zinc/28/66/75/402286675.db2.gz SMSGZGOXZIPRSQ-NEPJUHHUSA-N 1 3 313.239 2.497 20 0 DEADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000185620231 402365512 /nfs/dbraw/zinc/36/55/12/402365512.db2.gz LLDKGVCYKYBEJW-HRCADAONSA-N 1 3 322.497 2.175 20 0 DEADHO CC1CCN([C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000236652087 402370763 /nfs/dbraw/zinc/37/07/63/402370763.db2.gz GVCUOIGQWPFXSM-ROUUACIJSA-N 1 3 315.461 2.328 20 0 DEADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCCN1 ZINC000236655488 402371780 /nfs/dbraw/zinc/37/17/80/402371780.db2.gz MXIPUSRLPICAMK-KRWDZBQOSA-N 1 3 303.450 2.285 20 0 DEADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCCN1 ZINC000236655488 402371782 /nfs/dbraw/zinc/37/17/82/402371782.db2.gz MXIPUSRLPICAMK-KRWDZBQOSA-N 1 3 303.450 2.285 20 0 DEADHO CC1CC[NH+](CCCNC(=O)C[C@H](N)c2ccccc2)CC1 ZINC000236701328 402375965 /nfs/dbraw/zinc/37/59/65/402375965.db2.gz DUYIIGKXAHHTDD-KRWDZBQOSA-N 1 3 303.450 2.315 20 0 DEADHO CCCN(C(=O)CC[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000236744256 402379560 /nfs/dbraw/zinc/37/95/60/402379560.db2.gz WKVNRVJRAFQVCY-QGZVFWFLSA-N 1 3 303.450 2.238 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)[C@H](CN)c2ccccc2)CC1 ZINC000236758330 402381141 /nfs/dbraw/zinc/38/11/41/402381141.db2.gz AEHWATHAEBPSQC-QGZVFWFLSA-N 1 3 303.450 2.110 20 0 DEADHO CC(C)O[C@H]1C[C@H]([NH2+]CCCN2CCCN(C)CC2)C1(C)C ZINC000185220190 402335951 /nfs/dbraw/zinc/33/59/51/402335951.db2.gz CEHAJMHLURYSSC-IRXDYDNUSA-N 1 3 311.514 2.196 20 0 DEADHO C[NH2+]C[C@H](C)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000237327267 402404821 /nfs/dbraw/zinc/40/48/21/402404821.db2.gz RTQPBFUAMBDCIY-WMZOPIPTSA-N 1 3 317.477 2.431 20 0 DEADHO C[C@@H](C[NH3+])CNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000237357184 402405914 /nfs/dbraw/zinc/40/59/14/402405914.db2.gz QUAQLDYGJPJVNB-HOTGVXAUSA-N 1 3 317.477 2.041 20 0 DEADHO C[C@@H]1CCN(C(=O)CC(C)(C)[NH3+])CCN1Cc1ccccc1 ZINC000237428763 402408080 /nfs/dbraw/zinc/40/80/80/402408080.db2.gz JPINCTNZHLSLFC-OAHLLOKOSA-N 1 3 303.450 2.237 20 0 DEADHO C[C@@H]1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CCN1Cc1ccccc1 ZINC000237429347 402408544 /nfs/dbraw/zinc/40/85/44/402408544.db2.gz COIXUMYENINGJA-NVXWUHKLSA-N 1 3 317.477 2.483 20 0 DEADHO C[C@@H](CC(=O)NC[C@@H](c1ccccc1)N(C)C)C1CC[NH2+]CC1 ZINC000237464864 402409065 /nfs/dbraw/zinc/40/90/65/402409065.db2.gz JPQAPFGUXPDKGP-YJBOKZPZSA-N 1 3 317.477 2.431 20 0 DEADHO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000237496140 402410079 /nfs/dbraw/zinc/41/00/79/402410079.db2.gz ARNKSYOYYMBVPW-PBHICJAKSA-N 1 3 301.434 2.234 20 0 DEADHO C[C@@H](CNC(=O)CC1CC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000237529913 402411577 /nfs/dbraw/zinc/41/15/77/402411577.db2.gz YFPQBIIEJNRABT-HNNXBMFYSA-N 1 3 303.450 2.013 20 0 DEADHO C[C@H]1C[C@H](NC(=O)C2(C[NH3+])CCCC2)CN1Cc1ccccc1 ZINC000237562044 402412662 /nfs/dbraw/zinc/41/26/62/402412662.db2.gz MASAAGOKWUHIIA-RDJZCZTQSA-N 1 3 315.461 2.285 20 0 DEADHO C[C@@]1(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCCC[NH2+]1 ZINC000237588187 402414931 /nfs/dbraw/zinc/41/49/31/402414931.db2.gz MRRAYXMUEDOADP-HKUYNNGSSA-N 1 3 315.461 2.472 20 0 DEADHO CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CCN(CC)C[C@H]1C ZINC000177998102 402451156 /nfs/dbraw/zinc/45/11/56/402451156.db2.gz SCHOOKMEIFSJRV-SJLPKXTDSA-N 1 3 317.477 2.355 20 0 DEADHO [NH3+]CC1(C(=O)NCCCN2CCc3ccccc3C2)CCCC1 ZINC000238050801 402434527 /nfs/dbraw/zinc/43/45/27/402434527.db2.gz TXTDSDBQJWCKEG-UHFFFAOYSA-N 1 3 315.461 2.070 20 0 DEADHO C[C@@H]1C[C@@H](NC[C@@H]2CCCN2C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000178002261 402451872 /nfs/dbraw/zinc/45/18/72/402451872.db2.gz QEXRXLWFFXWLFC-ILXRZTDVSA-N 1 3 311.470 2.458 20 0 DEADHO C[C@@H]1C[C@@H](NC[C@@H]2CCCN2C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000178002261 402451873 /nfs/dbraw/zinc/45/18/73/402451873.db2.gz QEXRXLWFFXWLFC-ILXRZTDVSA-N 1 3 311.470 2.458 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCCOC2)CC1 ZINC000236988804 402390996 /nfs/dbraw/zinc/39/09/96/402390996.db2.gz SCVMMRZYWXHMLD-KRWDZBQOSA-N 1 3 317.477 2.345 20 0 DEADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)C1CC1 ZINC000177351234 402393808 /nfs/dbraw/zinc/39/38/08/402393808.db2.gz CJNUJLMAKCAZBE-OAHLLOKOSA-N 1 3 315.461 2.400 20 0 DEADHO CC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cnn(C)c1 ZINC000178033923 402454209 /nfs/dbraw/zinc/45/42/09/402454209.db2.gz UAWRLYAMTVJYBG-HLLBOEOZSA-N 1 3 308.470 2.350 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)CC1CC1 ZINC000246126120 402511899 /nfs/dbraw/zinc/51/18/99/402511899.db2.gz ISGGNDOAKAFUFZ-WBVHZDCISA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)CC1CC1 ZINC000246126120 402511902 /nfs/dbraw/zinc/51/19/02/402511902.db2.gz ISGGNDOAKAFUFZ-WBVHZDCISA-N 1 3 324.513 2.233 20 0 DEADHO COc1cc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc2c1OCO2 ZINC000414785653 286218734 /nfs/dbraw/zinc/21/87/34/286218734.db2.gz SWZDZELXUXULHH-HUUCEWRRSA-N 1 3 318.417 2.245 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCNC(=O)c1ccccc1Cl ZINC000178170203 402467174 /nfs/dbraw/zinc/46/71/74/402467174.db2.gz GVYBTZRQLQMRQX-XJKCOSOUSA-N 1 3 323.868 2.388 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCNC(=O)c1ccccc1Cl ZINC000178170203 402467177 /nfs/dbraw/zinc/46/71/77/402467177.db2.gz GVYBTZRQLQMRQX-XJKCOSOUSA-N 1 3 323.868 2.388 20 0 DEADHO N[C@@H](Cc1ccccc1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000164686190 402467282 /nfs/dbraw/zinc/46/72/82/402467282.db2.gz ZQSOWVPPDRGOHE-SFHVURJKSA-N 1 3 315.461 2.080 20 0 DEADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000165893998 402479834 /nfs/dbraw/zinc/47/98/34/402479834.db2.gz LSOZBPZVQUCSCA-QZTJIDSGSA-N 1 3 315.461 2.157 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000167789440 402493705 /nfs/dbraw/zinc/49/37/05/402493705.db2.gz FVYDWRQHBRZYTR-DOTOQJQBSA-N 1 3 315.461 2.328 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H](CN)c2ccccc2)C1 ZINC000246699069 402541526 /nfs/dbraw/zinc/54/15/26/402541526.db2.gz WDDMVJAIIIBXBQ-SJLPKXTDSA-N 1 3 317.477 2.357 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H](CN)c2ccccc2)C1 ZINC000246699069 402541528 /nfs/dbraw/zinc/54/15/28/402541528.db2.gz WDDMVJAIIIBXBQ-SJLPKXTDSA-N 1 3 317.477 2.357 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000178877388 402549728 /nfs/dbraw/zinc/54/97/28/402549728.db2.gz OAKWUKQOIVPLQE-YOEHRIQHSA-N 1 3 318.465 2.140 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000178877388 402549731 /nfs/dbraw/zinc/54/97/31/402549731.db2.gz OAKWUKQOIVPLQE-YOEHRIQHSA-N 1 3 318.465 2.140 20 0 DEADHO CCN(CC1CC[NH2+]CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000178972995 402560777 /nfs/dbraw/zinc/56/07/77/402560777.db2.gz WPNQICCPSWVPOY-KRWDZBQOSA-N 1 3 301.434 2.113 20 0 DEADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(CN(C)C)cc1 ZINC000247416376 402566691 /nfs/dbraw/zinc/56/66/91/402566691.db2.gz NPIDJHUIYNMQJC-RHSMWYFYSA-N 1 3 303.450 2.160 20 0 DEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc(CN(C)C)cc1 ZINC000247416376 402566692 /nfs/dbraw/zinc/56/66/92/402566692.db2.gz NPIDJHUIYNMQJC-RHSMWYFYSA-N 1 3 303.450 2.160 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCCCN2CC)C1 ZINC000246383787 402528051 /nfs/dbraw/zinc/52/80/51/402528051.db2.gz QSNIXWZVQNSWMG-IAGOWNOFSA-N 1 3 324.513 2.234 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCCCN2CC)C1 ZINC000246383787 402528055 /nfs/dbraw/zinc/52/80/55/402528055.db2.gz QSNIXWZVQNSWMG-IAGOWNOFSA-N 1 3 324.513 2.234 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000246427214 402530916 /nfs/dbraw/zinc/53/09/16/402530916.db2.gz SUDPLJJFYCSFBK-IAGOWNOFSA-N 1 3 324.513 2.425 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000246427214 402530921 /nfs/dbraw/zinc/53/09/21/402530921.db2.gz SUDPLJJFYCSFBK-IAGOWNOFSA-N 1 3 324.513 2.425 20 0 DEADHO [NH3+]C1(C(=O)NCC2CCN(Cc3cccs3)CC2)CCCC1 ZINC000178733851 402532256 /nfs/dbraw/zinc/53/22/56/402532256.db2.gz NIDUHLHQXKSQBO-UHFFFAOYSA-N 1 3 321.490 2.348 20 0 DEADHO C[NH2+]CCCC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000178767354 402537031 /nfs/dbraw/zinc/53/70/31/402537031.db2.gz QQVFDGOKEHHDOE-UHFFFAOYSA-N 1 3 303.450 2.109 20 0 DEADHO CC[N@@H+]1CC[C@H](NC[C@H](CC(C)C)N2CCOCC2)[C@H](C)C1 ZINC000247946390 402578498 /nfs/dbraw/zinc/57/84/98/402578498.db2.gz HOZLYWJWLQVQJE-SQNIBIBYSA-N 1 3 311.514 2.053 20 0 DEADHO CC[N@H+]1CC[C@H](NC[C@H](CC(C)C)N2CCOCC2)[C@H](C)C1 ZINC000247946390 402578500 /nfs/dbraw/zinc/57/85/00/402578500.db2.gz HOZLYWJWLQVQJE-SQNIBIBYSA-N 1 3 311.514 2.053 20 0 DEADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000190207493 402584602 /nfs/dbraw/zinc/58/46/02/402584602.db2.gz PCSXQPFZBPOIAB-HOTGVXAUSA-N 1 3 324.513 2.375 20 0 DEADHO C[C@@H](NCC1CC[NH+](CCO)CC1)c1nc2c(s1)CCCC2 ZINC000179425500 402589245 /nfs/dbraw/zinc/58/92/45/402589245.db2.gz NHFBYXNSAWQGPV-CYBMUJFWSA-N 1 3 323.506 2.377 20 0 DEADHO CCN(CCC[NH+](CC)CC)C(=O)NC1CCN(C2CC2)CC1 ZINC000190115471 402577261 /nfs/dbraw/zinc/57/72/61/402577261.db2.gz OCOGFHSKINIFOG-UHFFFAOYSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000251880331 402650595 /nfs/dbraw/zinc/65/05/95/402650595.db2.gz UUFUFIQTEGFZJD-BBWFWOEESA-N 1 3 324.513 2.233 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)CC1 ZINC000253546829 402668665 /nfs/dbraw/zinc/66/86/65/402668665.db2.gz YDXCVFFNIMFDPS-OAGGEKHMSA-N 1 3 309.498 2.486 20 0 DEADHO COC(=O)c1ccccc1OCC[N@H+](C)C[C@H]1CCCN(C)C1 ZINC000182187465 402670107 /nfs/dbraw/zinc/67/01/07/402670107.db2.gz XVWRLXGUYCTMGZ-HNNXBMFYSA-N 1 3 320.433 2.126 20 0 DEADHO COC(=O)c1ccccc1OCC[N@@H+](C)C[C@H]1CCCN(C)C1 ZINC000182187465 402670111 /nfs/dbraw/zinc/67/01/11/402670111.db2.gz XVWRLXGUYCTMGZ-HNNXBMFYSA-N 1 3 320.433 2.126 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H](N)Cc1ccccc1 ZINC000262637092 402728697 /nfs/dbraw/zinc/72/86/97/402728697.db2.gz IEATWIPEDCYGKM-SJLPKXTDSA-N 1 3 317.477 2.327 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H](N)Cc1ccccc1 ZINC000262637092 402728698 /nfs/dbraw/zinc/72/86/98/402728698.db2.gz IEATWIPEDCYGKM-SJLPKXTDSA-N 1 3 317.477 2.327 20 0 DEADHO C[C@H]1C[C@H](NC(=O)c2oc3ccccc3c2CN(C)C)CC[NH2+]1 ZINC000262991260 402740236 /nfs/dbraw/zinc/74/02/36/402740236.db2.gz ZXIPIDYCVYHDEY-QWHCGFSZSA-N 1 3 315.417 2.365 20 0 DEADHO OC1CC[NH+](CCCN[C@H]2CCCNc3ccccc32)CC1 ZINC000192722119 402746242 /nfs/dbraw/zinc/74/62/42/402746242.db2.gz NCDSHBXLFMJFTA-SFHVURJKSA-N 1 3 303.450 2.370 20 0 DEADHO C[C@H]1CN(CCN2CCC(CCC[NH+]3CCCC3)CC2)CCO1 ZINC000192776768 402748993 /nfs/dbraw/zinc/74/89/93/402748993.db2.gz HBWMVHNPGJQCDS-SFHVURJKSA-N 1 3 323.525 2.295 20 0 DEADHO O=C(C[NH2+]CC1CC1)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000263271174 402752857 /nfs/dbraw/zinc/75/28/57/402752857.db2.gz PDJQBWROFGLGNR-GOSISDBHSA-N 1 3 315.461 2.157 20 0 DEADHO COCC1(CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CCCCC1 ZINC000423142170 292248209 /nfs/dbraw/zinc/24/82/09/292248209.db2.gz UKJICSTXNDZYPU-BRWVUGGUSA-N 1 3 310.482 2.330 20 0 DEADHO C[C@H]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000263671098 402789538 /nfs/dbraw/zinc/78/95/38/402789538.db2.gz GFTYNMFDVDTQGD-INIZCTEOSA-N 1 3 315.461 2.240 20 0 DEADHO CC[N@H+](CCNC(=O)c1cccc(CN2CCCC2)c1)C1CC1 ZINC000263721449 402795523 /nfs/dbraw/zinc/79/55/23/402795523.db2.gz LOIZJHOQQPGNKW-UHFFFAOYSA-N 1 3 315.461 2.497 20 0 DEADHO CC[N@@H+](CCNC(=O)c1cccc(CN2CCCC2)c1)C1CC1 ZINC000263721449 402795526 /nfs/dbraw/zinc/79/55/26/402795526.db2.gz LOIZJHOQQPGNKW-UHFFFAOYSA-N 1 3 315.461 2.497 20 0 DEADHO C[C@@H](C[S@](C)=O)N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000184306930 402834436 /nfs/dbraw/zinc/83/44/36/402834436.db2.gz QSGIBEVILZBMEP-RXSFTSLZSA-N 1 3 312.479 2.045 20 0 DEADHO CN(C)C(=O)[C@H](NCC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000278150196 402859969 /nfs/dbraw/zinc/85/99/69/402859969.db2.gz XRYIJYZZYIBQAP-GOSISDBHSA-N 1 3 315.461 2.280 20 0 DEADHO CC(C)NC(=O)CC[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272374702 402929284 /nfs/dbraw/zinc/92/92/84/402929284.db2.gz BBHBAVRJYMXRBR-SJLPKXTDSA-N 1 3 317.477 2.401 20 0 DEADHO CC(C)NC(=O)CCN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272374702 402929285 /nfs/dbraw/zinc/92/92/85/402929285.db2.gz BBHBAVRJYMXRBR-SJLPKXTDSA-N 1 3 317.477 2.401 20 0 DEADHO CC(C)NC(=O)CCN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272374702 402929289 /nfs/dbraw/zinc/92/92/89/402929289.db2.gz BBHBAVRJYMXRBR-SJLPKXTDSA-N 1 3 317.477 2.401 20 0 DEADHO CN(C)CCOc1ccc(CC[NH2+]Cc2cccn2C)cc1 ZINC000265627500 402934722 /nfs/dbraw/zinc/93/47/22/402934722.db2.gz CHWLMQLKUWNUNA-UHFFFAOYSA-N 1 3 301.434 2.298 20 0 DEADHO COc1cc(C)c([C@@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1C ZINC000273270532 402989342 /nfs/dbraw/zinc/98/93/42/402989342.db2.gz HFCRRHUTDYEYMA-OAHLLOKOSA-N 1 3 306.450 2.419 20 0 DEADHO C[C@@H]([NH2+]Cc1cc(=O)c(O)co1)[C@H]1CCCN(C2CCC2)C1 ZINC000273279543 402990347 /nfs/dbraw/zinc/99/03/47/402990347.db2.gz NPUMNVACBAULEX-OLZOCXBDSA-N 1 3 306.406 2.088 20 0 DEADHO CN(C(=O)[C@@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)C1)c1ccccc1 ZINC000280492520 403005511 /nfs/dbraw/zinc/00/55/11/403005511.db2.gz ARVVISWTJBHUJD-SJORKVTESA-N 1 3 315.461 2.456 20 0 DEADHO CN(C(=O)[C@@H]1CCN(CC[C@@H]2CCC[N@H+]2C)C1)c1ccccc1 ZINC000280492520 403005512 /nfs/dbraw/zinc/00/55/12/403005512.db2.gz ARVVISWTJBHUJD-SJORKVTESA-N 1 3 315.461 2.456 20 0 DEADHO COC[C@H](C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1)OC ZINC000274814345 403090594 /nfs/dbraw/zinc/09/05/94/403090594.db2.gz YPXUJUXFFJJNRL-NJAFHUGGSA-N 1 3 306.450 2.148 20 0 DEADHO COC[C@H](CN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC000274814345 403090596 /nfs/dbraw/zinc/09/05/96/403090596.db2.gz YPXUJUXFFJJNRL-NJAFHUGGSA-N 1 3 306.450 2.148 20 0 DEADHO COC[C@H](CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)OC ZINC000274814345 403090597 /nfs/dbraw/zinc/09/05/97/403090597.db2.gz YPXUJUXFFJJNRL-NJAFHUGGSA-N 1 3 306.450 2.148 20 0 DEADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000275126227 403100030 /nfs/dbraw/zinc/10/00/30/403100030.db2.gz LGLSLCGKWITXFF-MAUKXSAKSA-N 1 3 315.461 2.013 20 0 DEADHO CC(C)(C)C1CCC(C[N@@H+]2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000566629980 292257481 /nfs/dbraw/zinc/25/74/81/292257481.db2.gz MZWMGIIGTWXFAH-SSHXOBKSSA-N 1 3 307.482 2.083 20 0 DEADHO CC(C)(C)C1CCC(C[N@H+]2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000566629980 292257482 /nfs/dbraw/zinc/25/74/82/292257482.db2.gz MZWMGIIGTWXFAH-SSHXOBKSSA-N 1 3 307.482 2.083 20 0 DEADHO CC[N@@H+]1CC[C@@H](NCCNC(=O)c2cccc(C)c2)[C@H](C)C1 ZINC000268827381 403118685 /nfs/dbraw/zinc/11/86/85/403118685.db2.gz ZNDNWKCFXRJGMZ-NVXWUHKLSA-N 1 3 303.450 2.045 20 0 DEADHO CC[N@H+]1CC[C@@H](NCCNC(=O)c2cccc(C)c2)[C@H](C)C1 ZINC000268827381 403118688 /nfs/dbraw/zinc/11/86/88/403118688.db2.gz ZNDNWKCFXRJGMZ-NVXWUHKLSA-N 1 3 303.450 2.045 20 0 DEADHO CC(C)[C@@H]([NH3+])CNC(=O)c1oc2ccccc2c1CN(C)C ZINC000269258571 403125129 /nfs/dbraw/zinc/12/51/29/403125129.db2.gz IHCVKEXUDUNGEH-AWEZNQCLSA-N 1 3 303.406 2.208 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000277451388 403219054 /nfs/dbraw/zinc/21/90/54/403219054.db2.gz GNJIFMSXRLSNCE-MAUKXSAKSA-N 1 3 315.461 2.155 20 0 DEADHO CO[C@@H](CN(C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000284422092 403267490 /nfs/dbraw/zinc/26/74/90/403267490.db2.gz ORHLSICTFDLMEE-IBGZPJMESA-N 1 3 319.493 2.332 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCCN1C ZINC000345327089 403287433 /nfs/dbraw/zinc/28/74/33/403287433.db2.gz STNWTRJOMJYHQO-INMHGKMJSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCCN1C ZINC000345327089 403287437 /nfs/dbraw/zinc/28/74/37/403287437.db2.gz STNWTRJOMJYHQO-INMHGKMJSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)CC[C@@H]2CCC[NH2+]2)CN1Cc1ccccc1 ZINC000292182524 403314473 /nfs/dbraw/zinc/31/44/73/403314473.db2.gz WWWBHMIAGUAAJQ-NJAFHUGGSA-N 1 3 315.461 2.298 20 0 DEADHO CCN1CCN(c2cc[nH+]c3cc(OC)c(OC)cc32)CC1 ZINC000298241240 403339766 /nfs/dbraw/zinc/33/97/66/403339766.db2.gz LWRVWXQNOJUQBJ-UHFFFAOYSA-N 1 3 301.390 2.394 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000342766422 403341782 /nfs/dbraw/zinc/34/17/82/403341782.db2.gz UQZTUZHKBLUYNS-MVJTYMMSSA-N 1 3 315.461 2.326 20 0 DEADHO CC[C@H](C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)N(C)C ZINC000298501575 403397703 /nfs/dbraw/zinc/39/77/03/403397703.db2.gz AVJZDRKZRXUXRJ-MRXNPFEDSA-N 1 3 307.438 2.043 20 0 DEADHO COc1ccc([C@H](C)[NH2+]C[C@@H](O)CN2CCCC2)c(C)c1OC ZINC000285918502 403410844 /nfs/dbraw/zinc/41/08/44/403410844.db2.gz DPOJYDHGXYAKLI-LSDHHAIUSA-N 1 3 322.449 2.120 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H](CC3CC3)C2)CC1 ZINC000339680547 403414734 /nfs/dbraw/zinc/41/47/34/403414734.db2.gz WGNBLSSGTGLXBN-INIZCTEOSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1ccc(OC[C@H](O)C[NH2+][C@H](C)C2=CCN(C)CC2)c(C)c1 ZINC000566851328 292272432 /nfs/dbraw/zinc/27/24/32/292272432.db2.gz CDRALBNBRSCRRM-SJLPKXTDSA-N 1 3 318.461 2.283 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)N(CC)CC ZINC000345682362 403434851 /nfs/dbraw/zinc/43/48/51/403434851.db2.gz XFFICCVBYLXCAA-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N(CC)CC ZINC000345682362 403434855 /nfs/dbraw/zinc/43/48/55/403434855.db2.gz XFFICCVBYLXCAA-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000345685813 403436776 /nfs/dbraw/zinc/43/67/76/403436776.db2.gz QUISQLOXBLCIPE-INIZCTEOSA-N 1 3 303.450 2.210 20 0 DEADHO CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000345685813 403436781 /nfs/dbraw/zinc/43/67/81/403436781.db2.gz QUISQLOXBLCIPE-INIZCTEOSA-N 1 3 303.450 2.210 20 0 DEADHO CC[C@H](C(=O)NCCN(C)Cc1ccccc1)[NH+](CC)CC ZINC000345807625 403492015 /nfs/dbraw/zinc/49/20/15/403492015.db2.gz QVCNPHBCPJHACZ-QGZVFWFLSA-N 1 3 305.466 2.355 20 0 DEADHO CN(CCCNC(=O)C[C@@H]1CCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000340114024 403552355 /nfs/dbraw/zinc/55/23/55/403552355.db2.gz ZZTCJPUCTBMGQX-IRXDYDNUSA-N 1 3 303.450 2.142 20 0 DEADHO Cc1cnn(C)c1C[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000286325477 403500507 /nfs/dbraw/zinc/50/05/07/403500507.db2.gz DOKLRZLFAIHCLI-UHFFFAOYSA-N 1 3 316.449 2.001 20 0 DEADHO C[N@H+](Cc1ccccc1)CC(C)(C)CNC[C@@H]1COCCO1 ZINC000343426895 403585641 /nfs/dbraw/zinc/58/56/41/403585641.db2.gz JRTVAHAQCBPYMV-QGZVFWFLSA-N 1 3 306.450 2.150 20 0 DEADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNC[C@@H]1COCCO1 ZINC000343426895 403585643 /nfs/dbraw/zinc/58/56/43/403585643.db2.gz JRTVAHAQCBPYMV-QGZVFWFLSA-N 1 3 306.450 2.150 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H]1CCN(CCOC)C1 ZINC000346433499 403590783 /nfs/dbraw/zinc/59/07/83/403590783.db2.gz HMYKJGMAGIOWMS-BZSNNMDCSA-N 1 3 311.514 2.197 20 0 DEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NCC2=CCN(C)CC2)C1 ZINC000343408818 403576077 /nfs/dbraw/zinc/57/60/77/403576077.db2.gz DFLLRWSOYICXPP-INIZCTEOSA-N 1 3 322.497 2.060 20 0 DEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NCC2=CCN(C)CC2)C1 ZINC000343408818 403576081 /nfs/dbraw/zinc/57/60/81/403576081.db2.gz DFLLRWSOYICXPP-INIZCTEOSA-N 1 3 322.497 2.060 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCN(CC2CCOCC2)CC1 ZINC000340277499 403576454 /nfs/dbraw/zinc/57/64/54/403576454.db2.gz IJZFNVHLHQVKFG-LJQANCHMSA-N 1 3 323.525 2.294 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1CN1CCN(CC2CCOCC2)CC1 ZINC000340277499 403576457 /nfs/dbraw/zinc/57/64/57/403576457.db2.gz IJZFNVHLHQVKFG-LJQANCHMSA-N 1 3 323.525 2.294 20 0 DEADHO CN1CC=C(CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000343415440 403579459 /nfs/dbraw/zinc/57/94/59/403579459.db2.gz WMTQBAACJVPGRN-KRWDZBQOSA-N 1 3 322.497 2.058 20 0 DEADHO C[C@@H]([NH2+]Cc1ccnc(OCCN(C)C)c1)[C@@]1(C)CCCO1 ZINC000340521635 403636247 /nfs/dbraw/zinc/63/62/47/403636247.db2.gz VTDZUTHYQXPGCC-RHSMWYFYSA-N 1 3 307.438 2.069 20 0 DEADHO C[C@H]1[C@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)CCCN1C ZINC000343600285 403657733 /nfs/dbraw/zinc/65/77/33/403657733.db2.gz JVVNKFJZOAOMHJ-LSDHHAIUSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000347386401 403689778 /nfs/dbraw/zinc/68/97/78/403689778.db2.gz YGADVKHHYFMHGK-UXLLHSPISA-N 1 3 307.482 2.050 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000347386401 403689784 /nfs/dbraw/zinc/68/97/84/403689784.db2.gz YGADVKHHYFMHGK-UXLLHSPISA-N 1 3 307.482 2.050 20 0 DEADHO C[C@H](c1cccnc1)N1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000343720194 403706935 /nfs/dbraw/zinc/70/69/35/403706935.db2.gz ANVQQGSLZDOGAV-JKSUJKDBSA-N 1 3 302.466 2.243 20 0 DEADHO C[C@H](c1cccnc1)N1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000343720194 403706939 /nfs/dbraw/zinc/70/69/39/403706939.db2.gz ANVQQGSLZDOGAV-JKSUJKDBSA-N 1 3 302.466 2.243 20 0 DEADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)C3(N)CCC3)cc2)C1 ZINC000295116713 403763764 /nfs/dbraw/zinc/76/37/64/403763764.db2.gz MNEIAISLCARVHO-AWEZNQCLSA-N 1 3 317.433 2.227 20 0 DEADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)C3(N)CCC3)cc2)C1 ZINC000295116713 403763767 /nfs/dbraw/zinc/76/37/67/403763767.db2.gz MNEIAISLCARVHO-AWEZNQCLSA-N 1 3 317.433 2.227 20 0 DEADHO Cc1cncc([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000343870110 403768446 /nfs/dbraw/zinc/76/84/46/403768446.db2.gz XMOBHXQXBNASGY-BMGDILEWSA-N 1 3 303.450 2.418 20 0 DEADHO CNC(=O)c1cccc(C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000294360106 403712616 /nfs/dbraw/zinc/71/26/16/403712616.db2.gz ZXMBRUXKHJZHNH-UHFFFAOYSA-N 1 3 324.428 2.200 20 0 DEADHO CC(C)[N@H+]1C[C@H](NC(=O)Nc2ccc3c(c2)CNC3)[C@@H](C)C1 ZINC000333345620 403731018 /nfs/dbraw/zinc/73/10/18/403731018.db2.gz QLZRGMUEGMNHFD-LRDDRELGSA-N 1 3 302.422 2.140 20 0 DEADHO CC(C)[N@@H+]1C[C@H](NC(=O)Nc2ccc3c(c2)CNC3)[C@@H](C)C1 ZINC000333345620 403731022 /nfs/dbraw/zinc/73/10/22/403731022.db2.gz QLZRGMUEGMNHFD-LRDDRELGSA-N 1 3 302.422 2.140 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343792901 403735293 /nfs/dbraw/zinc/73/52/93/403735293.db2.gz KGULXYQDHJFBBB-BZUAXINKSA-N 1 3 310.486 2.033 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343792901 403735296 /nfs/dbraw/zinc/73/52/96/403735296.db2.gz KGULXYQDHJFBBB-BZUAXINKSA-N 1 3 310.486 2.033 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)N[C@@H]2CCCN(C)[C@H]2C)CC1 ZINC000343801099 403738875 /nfs/dbraw/zinc/73/88/75/403738875.db2.gz QQOWHKXMVZOVQL-DLBZAZTESA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccccc1 ZINC000343968043 403813798 /nfs/dbraw/zinc/81/37/98/403813798.db2.gz BAZZVQYZSODSTA-HNNXBMFYSA-N 1 3 303.450 2.280 20 0 DEADHO C[C@@H]1CN(C(=O)NCCN2CCC3(CCCCC3)CC2)C[C@H]1[NH3+] ZINC000333719832 403831153 /nfs/dbraw/zinc/83/11/53/403831153.db2.gz GLCDBKUXEVBOQS-HZPDHXFCSA-N 1 3 322.497 2.021 20 0 DEADHO C[C@@H](CNC(=O)N(C)CCC[NH+]1CCCC1)N1CCC[C@H](C)C1 ZINC000347637140 403786831 /nfs/dbraw/zinc/78/68/31/403786831.db2.gz RSHFASNOOPNZOM-IRXDYDNUSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H]1CN(C(=O)N[C@H](C[NH3+])C2CCCCC2)CCN(C2CC2)C1 ZINC000333771920 403854881 /nfs/dbraw/zinc/85/48/81/403854881.db2.gz CCBNWICKLUDCEU-RHSMWYFYSA-N 1 3 322.497 2.020 20 0 DEADHO CC[NH+]1CCC(NC(=O)CNC(C)(C)c2cccc(C)c2)CC1 ZINC000411472088 403866606 /nfs/dbraw/zinc/86/66/06/403866606.db2.gz RNESNHKAXIQCPS-UHFFFAOYSA-N 1 3 317.477 2.420 20 0 DEADHO C[C@](O)(CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000333824185 403874618 /nfs/dbraw/zinc/87/46/18/403874618.db2.gz LHGSENVSWGDZMT-FJIDUMEYSA-N 1 3 310.482 2.064 20 0 DEADHO CCC[N@H+](CCN1CCN(CC)CC1)CC1CC(OCC)C1 ZINC000344189586 403966061 /nfs/dbraw/zinc/96/60/61/403966061.db2.gz XHAJXOQXKQFING-UHFFFAOYSA-N 1 3 311.514 2.151 20 0 DEADHO CCC[N@@H+](CCN1CCN(CC)CC1)CC1CC(OCC)C1 ZINC000344189586 403966068 /nfs/dbraw/zinc/96/60/68/403966068.db2.gz XHAJXOQXKQFING-UHFFFAOYSA-N 1 3 311.514 2.151 20 0 DEADHO CCC[N@@H+](CCc1c(C)noc1C)CCN1CCN(CC)CC1 ZINC000344146070 403940209 /nfs/dbraw/zinc/94/02/09/403940209.db2.gz PGOAINGDFYKPNM-UHFFFAOYSA-N 1 3 322.497 2.183 20 0 DEADHO CCC[N@H+](CCc1c(C)noc1C)CCN1CCN(CC)CC1 ZINC000344146070 403940217 /nfs/dbraw/zinc/94/02/17/403940217.db2.gz PGOAINGDFYKPNM-UHFFFAOYSA-N 1 3 322.497 2.183 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000362836480 403993374 /nfs/dbraw/zinc/99/33/74/403993374.db2.gz HCHDCZIKHRNYAX-HNNXBMFYSA-N 1 3 303.450 2.162 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000362836480 403993380 /nfs/dbraw/zinc/99/33/80/403993380.db2.gz HCHDCZIKHRNYAX-HNNXBMFYSA-N 1 3 303.450 2.162 20 0 DEADHO CCCN1CC[C@H](C[NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000341509454 404007189 /nfs/dbraw/zinc/00/71/89/404007189.db2.gz LSZXQQNEURILPH-QGZVFWFLSA-N 1 3 316.493 2.368 20 0 DEADHO CN(C)[C@@H](CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21)c1ccccc1 ZINC000325673167 404102192 /nfs/dbraw/zinc/10/21/92/404102192.db2.gz MGJRTPIJNSCRPL-MOPGFXCFSA-N 1 3 323.440 2.293 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCCC[C@@H]2C[C@H](C)O)CC1 ZINC000337459110 404039480 /nfs/dbraw/zinc/03/94/80/404039480.db2.gz JJUSYLWYRLCQML-ZWKOTPCHSA-N 1 3 311.514 2.028 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCCC[C@@H]2C[C@H](C)O)CC1 ZINC000337459110 404039482 /nfs/dbraw/zinc/03/94/82/404039482.db2.gz JJUSYLWYRLCQML-ZWKOTPCHSA-N 1 3 311.514 2.028 20 0 DEADHO COc1ccc(CN(C)CCC[N@H+](C)CCN(C)C)c(OC)c1 ZINC000290120224 404051030 /nfs/dbraw/zinc/05/10/30/404051030.db2.gz IUKVNTJOQGLPKT-UHFFFAOYSA-N 1 3 323.481 2.019 20 0 DEADHO COc1ccc(CN(C)CCC[N@@H+](C)CCN(C)C)c(OC)c1 ZINC000290120224 404051034 /nfs/dbraw/zinc/05/10/34/404051034.db2.gz IUKVNTJOQGLPKT-UHFFFAOYSA-N 1 3 323.481 2.019 20 0 DEADHO COc1ccc(CN(C)CCCN(C)CC[NH+](C)C)c(OC)c1 ZINC000290120224 404051041 /nfs/dbraw/zinc/05/10/41/404051041.db2.gz IUKVNTJOQGLPKT-UHFFFAOYSA-N 1 3 323.481 2.019 20 0 DEADHO Cc1c(C[N@H+](C)CC2CCN(c3ccncc3)CC2)cnn1C ZINC000354865997 404065493 /nfs/dbraw/zinc/06/54/93/404065493.db2.gz YUQLHFXJUFEDRP-UHFFFAOYSA-N 1 3 313.449 2.472 20 0 DEADHO Cc1c(C[N@@H+](C)CC2CCN(c3ccncc3)CC2)cnn1C ZINC000354865997 404065498 /nfs/dbraw/zinc/06/54/98/404065498.db2.gz YUQLHFXJUFEDRP-UHFFFAOYSA-N 1 3 313.449 2.472 20 0 DEADHO C[NH+]1CCC([C@@H]2CCN(Cc3cc(C(N)=O)cs3)C2)CC1 ZINC000290601067 404237523 /nfs/dbraw/zinc/23/75/23/404237523.db2.gz VXXFMAAVKBYIRQ-CYBMUJFWSA-N 1 3 307.463 2.011 20 0 DEADHO C[C@@H](O)C[N@H+](C)C1CCN(C[C@@H](C)CC2CCOCC2)CC1 ZINC000349971474 404280688 /nfs/dbraw/zinc/28/06/88/404280688.db2.gz JRKXXQZTGNTVJM-JKSUJKDBSA-N 1 3 312.498 2.216 20 0 DEADHO C[C@@H](O)C[N@@H+](C)C1CCN(C[C@@H](C)CC2CCOCC2)CC1 ZINC000349971474 404280691 /nfs/dbraw/zinc/28/06/91/404280691.db2.gz JRKXXQZTGNTVJM-JKSUJKDBSA-N 1 3 312.498 2.216 20 0 DEADHO C[C@@H](O)CN(C)C1CC[NH+](C[C@@H](C)CC2CCOCC2)CC1 ZINC000349971474 404280694 /nfs/dbraw/zinc/28/06/94/404280694.db2.gz JRKXXQZTGNTVJM-JKSUJKDBSA-N 1 3 312.498 2.216 20 0 DEADHO CC(C)[C@@H](CNC(=O)N[C@H](C)CN(C)C)[NH+]1CCCCCC1 ZINC000350255750 404354567 /nfs/dbraw/zinc/35/45/67/404354567.db2.gz TXKUURKTYRFFLU-HZPDHXFCSA-N 1 3 312.502 2.136 20 0 DEADHO CSC[C@H](O)CN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000352433429 404367854 /nfs/dbraw/zinc/36/78/54/404367854.db2.gz VJUANGAMAYRPGO-KZNAEPCWSA-N 1 3 320.502 2.164 20 0 DEADHO CSC[C@H](O)CN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000352433429 404367864 /nfs/dbraw/zinc/36/78/64/404367864.db2.gz VJUANGAMAYRPGO-KZNAEPCWSA-N 1 3 320.502 2.164 20 0 DEADHO C[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)N1[C@H](C)CC[C@@H]1C ZINC000356230479 404406327 /nfs/dbraw/zinc/40/63/27/404406327.db2.gz MDGYBHAHJOSLIG-DFGXFYAUSA-N 1 3 307.482 2.192 20 0 DEADHO C[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)N1[C@H](C)CC[C@@H]1C ZINC000356230479 404406335 /nfs/dbraw/zinc/40/63/35/404406335.db2.gz MDGYBHAHJOSLIG-DFGXFYAUSA-N 1 3 307.482 2.192 20 0 DEADHO C[C@H]1C[C@H](C(=O)N2CCCN(CC3CCC3)CC2)CC[N@@H+]1C ZINC000351052404 404506642 /nfs/dbraw/zinc/50/66/42/404506642.db2.gz KPOUSDCDVLOVMV-DOTOQJQBSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1C[C@H](C(=O)N2CCCN(CC3CCC3)CC2)CC[N@H+]1C ZINC000351052404 404506644 /nfs/dbraw/zinc/50/66/44/404506644.db2.gz KPOUSDCDVLOVMV-DOTOQJQBSA-N 1 3 307.482 2.051 20 0 DEADHO C(N1CC[C@H](C2CC2)C1)C1(C[N@@H+]2CC[C@H](C3CC3)C2)COC1 ZINC000364719880 404514865 /nfs/dbraw/zinc/51/48/65/404514865.db2.gz DDHOIOSKOBMPKH-ROUUACIJSA-N 1 3 304.478 2.467 20 0 DEADHO C(N1CC[C@H](C2CC2)C1)C1(C[N@H+]2CC[C@H](C3CC3)C2)COC1 ZINC000364719880 404514875 /nfs/dbraw/zinc/51/48/75/404514875.db2.gz DDHOIOSKOBMPKH-ROUUACIJSA-N 1 3 304.478 2.467 20 0 DEADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(CO)cc2)C1 ZINC000352541018 404443858 /nfs/dbraw/zinc/44/38/58/404443858.db2.gz SLKBUTDPWBRYBG-SFHVURJKSA-N 1 3 306.450 2.112 20 0 DEADHO C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000291915481 404577704 /nfs/dbraw/zinc/57/77/04/404577704.db2.gz RCNZLUGEGBFAGP-CRAIPNDOSA-N 1 3 315.461 2.107 20 0 DEADHO [NH3+][C@@H]1CC[C@H]2CN(CCCc3nc(-c4ccccc4)no3)C[C@H]12 ZINC000351500793 404612506 /nfs/dbraw/zinc/61/25/06/404612506.db2.gz XLWJFSMTJYVMHY-HRCADAONSA-N 1 3 312.417 2.338 20 0 DEADHO CC[C@H](C)[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414677762 404705636 /nfs/dbraw/zinc/70/56/36/404705636.db2.gz JOFIZMCVLNAPCS-FUHWJXTLSA-N 1 3 317.477 2.484 20 0 DEADHO CC[C@H](C)[N@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414677762 404705639 /nfs/dbraw/zinc/70/56/39/404705639.db2.gz JOFIZMCVLNAPCS-FUHWJXTLSA-N 1 3 317.477 2.484 20 0 DEADHO CCC(N)(CC)C[NH2+][C@@H](C)CC(=O)NCCc1ccccc1 ZINC000414815100 404741110 /nfs/dbraw/zinc/74/11/10/404741110.db2.gz WUOBUYNNBQXTOM-HNNXBMFYSA-N 1 3 305.466 2.231 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)C(N)C(F)(F)F)c1ccccc1 ZINC000353134379 404750963 /nfs/dbraw/zinc/75/09/63/404750963.db2.gz VMEJGDAFPNYVCY-STQMWFEESA-N 1 3 317.355 2.075 20 0 DEADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccccc1CN(C)C ZINC000366081209 404752726 /nfs/dbraw/zinc/75/27/26/404752726.db2.gz AWAPPZXYGXQLSI-WBVHZDCISA-N 1 3 315.461 2.447 20 0 DEADHO C[C@@H]1CCC[C@@H](NC(=O)CN2CCC3(C2)CC[NH2+]CC3)[C@@H]1C ZINC000358501620 404764765 /nfs/dbraw/zinc/76/47/65/404764765.db2.gz BGDXTZHKLLCVLB-BZUAXINKSA-N 1 3 307.482 2.003 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)NCC[C@H]2CCC[NH2+]2)cc1 ZINC000414913419 404764895 /nfs/dbraw/zinc/76/48/95/404764895.db2.gz ZTQRXHRKZZDXGR-UONOGXRCSA-N 1 3 305.422 2.144 20 0 DEADHO CC[C@H]1c2ccsc2CC[N@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414701006 404711169 /nfs/dbraw/zinc/71/11/69/404711169.db2.gz JZCXKBYRVPHFEX-HIFRSBDPSA-N 1 3 321.490 2.255 20 0 DEADHO CC[C@H]1c2ccsc2CC[N@@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414701006 404711172 /nfs/dbraw/zinc/71/11/72/404711172.db2.gz JZCXKBYRVPHFEX-HIFRSBDPSA-N 1 3 321.490 2.255 20 0 DEADHO CC(C)CCC1CC[NH+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414717532 404716528 /nfs/dbraw/zinc/71/65/28/404716528.db2.gz ZQZACKCUCYBNRV-QGZVFWFLSA-N 1 3 309.498 2.332 20 0 DEADHO CCN(CC(=O)Nc1ccccc1OC)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414745444 404722236 /nfs/dbraw/zinc/72/22/36/404722236.db2.gz XWJCHTQNJFOXFY-LSDHHAIUSA-N 1 3 319.449 2.344 20 0 DEADHO Cc1nn(C)c(CNC[C@H]2CCC[C@@H]([NH3+])C2)c1Br ZINC000414991981 404783002 /nfs/dbraw/zinc/78/30/02/404783002.db2.gz BKBSAWNVOMVDPE-WDEREUQCSA-N 1 3 315.259 2.098 20 0 DEADHO C[N@H+](CCCCc1cccc(C(F)(F)F)c1)C[C@H](O)CN ZINC000415064594 404799107 /nfs/dbraw/zinc/79/91/07/404799107.db2.gz CXCYDRKHGYMCQK-CQSZACIVSA-N 1 3 304.356 2.280 20 0 DEADHO C[N@@H+](CCCCc1cccc(C(F)(F)F)c1)C[C@H](O)CN ZINC000415064594 404799110 /nfs/dbraw/zinc/79/91/10/404799110.db2.gz CXCYDRKHGYMCQK-CQSZACIVSA-N 1 3 304.356 2.280 20 0 DEADHO CN(CCCCc1cccc(C(F)(F)F)c1)C[C@H](O)C[NH3+] ZINC000415064594 404799113 /nfs/dbraw/zinc/79/91/13/404799113.db2.gz CXCYDRKHGYMCQK-CQSZACIVSA-N 1 3 304.356 2.280 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N(CCN(C)C)C(C)C ZINC000359922577 404809985 /nfs/dbraw/zinc/80/99/85/404809985.db2.gz HNINCLJEDNIFAH-OAHLLOKOSA-N 1 3 300.491 2.088 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(CCN(C)C)C(C)C ZINC000359922577 404809990 /nfs/dbraw/zinc/80/99/90/404809990.db2.gz HNINCLJEDNIFAH-OAHLLOKOSA-N 1 3 300.491 2.088 20 0 DEADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000415119567 404811412 /nfs/dbraw/zinc/81/14/12/404811412.db2.gz FRHQUZYHHVYQQH-HKUYNNGSSA-N 1 3 316.445 2.340 20 0 DEADHO COc1cccc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000415129990 404813852 /nfs/dbraw/zinc/81/38/52/404813852.db2.gz WBCGPNKXZISHRT-FUHWJXTLSA-N 1 3 304.434 2.414 20 0 DEADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3cccc4c3NCC4)CC2)C1 ZINC000415128301 404814294 /nfs/dbraw/zinc/81/42/94/404814294.db2.gz SEXNBPAPBJWZLR-MSOLQXFVSA-N 1 3 315.461 2.373 20 0 DEADHO c1ccc2ncc(CN3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)cc2c1 ZINC000415135550 404816108 /nfs/dbraw/zinc/81/61/08/404816108.db2.gz GCWOXSYFTXRVCV-MJGOQNOKSA-N 1 3 323.440 2.435 20 0 DEADHO Cc1ccc(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1F ZINC000415143238 404818939 /nfs/dbraw/zinc/81/89/39/404818939.db2.gz SIOQORIBHHNBSF-WBVHZDCISA-N 1 3 304.409 2.335 20 0 DEADHO CC[C@@]1(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)CC[NH2+]C1 ZINC000360466549 404828103 /nfs/dbraw/zinc/82/81/03/404828103.db2.gz MIJVZAQFEMKVAZ-FUHWJXTLSA-N 1 3 303.450 2.316 20 0 DEADHO CN1CC[C@H]([NH2+]Cc2cccc(N3CCC3=O)c2)[C@@H]2CCC[C@@H]21 ZINC000353589479 404874192 /nfs/dbraw/zinc/87/41/92/404874192.db2.gz GTETXARGLHENJG-BZSNNMDCSA-N 1 3 313.445 2.386 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CCN1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000451214449 404904905 /nfs/dbraw/zinc/90/49/05/404904905.db2.gz WNWBLKCLUWISTR-JKSUJKDBSA-N 1 3 309.498 2.474 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CCN1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000451214449 404904908 /nfs/dbraw/zinc/90/49/08/404904908.db2.gz WNWBLKCLUWISTR-JKSUJKDBSA-N 1 3 309.498 2.474 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000415585442 404889338 /nfs/dbraw/zinc/88/93/38/404889338.db2.gz XMWJDXMNCLZAAP-DZGCQCFKSA-N 1 3 304.438 2.040 20 0 DEADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000353526744 404856793 /nfs/dbraw/zinc/85/67/93/404856793.db2.gz SBQPAFFSKMJESU-CVEARBPZSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1ccccc1CN1CCCCC1 ZINC000416899002 404956172 /nfs/dbraw/zinc/95/61/72/404956172.db2.gz DISWCQRALNEFKE-HUUCEWRRSA-N 1 3 318.465 2.207 20 0 DEADHO CN(C)[C@@H](CNC(=O)NCC1([NH3+])CCCCC1)c1ccccc1 ZINC000416799800 404916302 /nfs/dbraw/zinc/91/63/02/404916302.db2.gz DQQMSVUVUJSSRO-INIZCTEOSA-N 1 3 318.465 2.250 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000416801876 404917303 /nfs/dbraw/zinc/91/73/03/404917303.db2.gz HCYGSLNATZBZSQ-USXIJHARSA-N 1 3 318.465 2.201 20 0 DEADHO CC[N@H+](Cc1ccc(C(=O)N2CCN[C@H](C)[C@@H]2C)cc1)C1CC1 ZINC000434667713 404921326 /nfs/dbraw/zinc/92/13/26/404921326.db2.gz YKSCPZIRZWUKSI-CABCVRRESA-N 1 3 315.461 2.493 20 0 DEADHO CC[N@@H+](Cc1ccc(C(=O)N2CCN[C@H](C)[C@@H]2C)cc1)C1CC1 ZINC000434667713 404921334 /nfs/dbraw/zinc/92/13/34/404921334.db2.gz YKSCPZIRZWUKSI-CABCVRRESA-N 1 3 315.461 2.493 20 0 DEADHO CN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)C1CC([NH3+])C1 ZINC000416833725 404928215 /nfs/dbraw/zinc/92/82/15/404928215.db2.gz CUFXEZWSMPXOGA-RUXDESIVSA-N 1 3 322.478 2.016 20 0 DEADHO N[C@H](CC(=O)NCC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000423921817 404931178 /nfs/dbraw/zinc/93/11/78/404931178.db2.gz YBLMHRFYRTVXNQ-QGZVFWFLSA-N 1 3 301.434 2.067 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000416842037 404931625 /nfs/dbraw/zinc/93/16/25/404931625.db2.gz MOALTTRDRDQYCX-IRXDYDNUSA-N 1 3 318.465 2.121 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)NC[C@H](C)C[NH2+]C)c1ccccc1 ZINC000416842472 404931654 /nfs/dbraw/zinc/93/16/54/404931654.db2.gz NHCSAMNPYYLROM-WBVHZDCISA-N 1 3 320.481 2.224 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]([NH3+])C1CC1)c1ccccc1 ZINC000416844068 404932206 /nfs/dbraw/zinc/93/22/06/404932206.db2.gz PLKIOWHWGILUQZ-IRXDYDNUSA-N 1 3 318.465 2.106 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000416842129 404932210 /nfs/dbraw/zinc/93/22/10/404932210.db2.gz MRTQTHRLEWVHEJ-SJORKVTESA-N 1 3 318.465 2.121 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC2(C1)CC[NH2+]CC2)N1CCCCC1 ZINC000378393745 404952659 /nfs/dbraw/zinc/95/26/59/404952659.db2.gz IJTCMAJKOYKDPG-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO O=C(CC[NH2+]C1CC1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000379657485 405028022 /nfs/dbraw/zinc/02/80/22/405028022.db2.gz SXZUCKDUNYFXOO-SFHVURJKSA-N 1 3 315.461 2.299 20 0 DEADHO CC(C)C[C@@H](CN(C)C)NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000354068283 405028974 /nfs/dbraw/zinc/02/89/74/405028974.db2.gz NFEVEEBAAOEARE-YKDOHLLJSA-N 1 3 309.498 2.233 20 0 DEADHO CCN(CC)[C@H](CNC(=O)NC[C@@H](C)C[NH3+])c1ccsc1 ZINC000417003442 404994764 /nfs/dbraw/zinc/99/47/64/404994764.db2.gz HLVHOZPACDMSFD-GXTWGEPZSA-N 1 3 312.483 2.025 20 0 DEADHO O=C(Nc1ccc2c(c1)CNC2)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000415986047 404996991 /nfs/dbraw/zinc/99/69/91/404996991.db2.gz ANANDIXBUVAJQU-QGZVFWFLSA-N 1 3 314.433 2.382 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)NC1CC[NH2+]CC1)c1ccsc1 ZINC000417007473 404997641 /nfs/dbraw/zinc/99/76/41/404997641.db2.gz KWTIATILYOIDAO-HNNXBMFYSA-N 1 3 324.494 2.182 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@H](C[NH3+])C1)c1ccsc1 ZINC000417010978 405000025 /nfs/dbraw/zinc/00/00/25/405000025.db2.gz QWAPRHAOOMKFFC-ZFWWWQNUSA-N 1 3 324.494 2.121 20 0 DEADHO Cc1cc(CN)cc(NC(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000424448100 405097990 /nfs/dbraw/zinc/09/79/90/405097990.db2.gz WWNKTUSPXSQXDE-AWEZNQCLSA-N 1 3 304.438 2.307 20 0 DEADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000417813479 405098292 /nfs/dbraw/zinc/09/82/92/405098292.db2.gz RGZPRNSEMJMPNL-LSDHHAIUSA-N 1 3 322.497 2.175 20 0 DEADHO CCC[C@](C)([NH3+])C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000389886321 405041734 /nfs/dbraw/zinc/04/17/34/405041734.db2.gz RUBZENHFGHLFPW-KYJSFNMBSA-N 1 3 303.450 2.141 20 0 DEADHO C[C@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)C1=CCN(C)CC1 ZINC000416199693 405054279 /nfs/dbraw/zinc/05/42/79/405054279.db2.gz ODCSVKZGCJJOMS-MAUKXSAKSA-N 1 3 315.461 2.446 20 0 DEADHO C[C@H](NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)c1cccs1 ZINC000424283777 405057931 /nfs/dbraw/zinc/05/79/31/405057931.db2.gz CBDXHPKQGKDHKW-KBPBESRZSA-N 1 3 321.490 2.389 20 0 DEADHO CN(C)[C@@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000416242218 405069704 /nfs/dbraw/zinc/06/97/04/405069704.db2.gz FIWMUSJBTJJIPE-FBVQUNGASA-N 1 3 315.461 2.421 20 0 DEADHO CN(C)[C@@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000416242218 405069708 /nfs/dbraw/zinc/06/97/08/405069708.db2.gz FIWMUSJBTJJIPE-FBVQUNGASA-N 1 3 315.461 2.421 20 0 DEADHO CC[C@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424339429 405072680 /nfs/dbraw/zinc/07/26/80/405072680.db2.gz VWNCWLCIKXAPKM-KFWWJZLASA-N 1 3 321.490 2.443 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCNC(=O)CCCc1ccccc1 ZINC000424379043 405077129 /nfs/dbraw/zinc/07/71/29/405077129.db2.gz OHSNUIWAUKIART-MSOLQXFVSA-N 1 3 317.477 2.233 20 0 DEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCNC(=O)CCCc1ccccc1 ZINC000424379043 405077135 /nfs/dbraw/zinc/07/71/35/405077135.db2.gz OHSNUIWAUKIART-MSOLQXFVSA-N 1 3 317.477 2.233 20 0 DEADHO COc1ccc(C[NH2+]CC2CCN(c3ccncc3)CC2)cn1 ZINC000436400316 405078342 /nfs/dbraw/zinc/07/83/42/405078342.db2.gz JJVOFQPEWSORMG-UHFFFAOYSA-N 1 3 312.417 2.491 20 0 DEADHO C[C@H](CNC(=O)NC[C@@H](N)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000417309149 405086003 /nfs/dbraw/zinc/08/60/03/405086003.db2.gz IHZGDPABPHZOHY-NVXWUHKLSA-N 1 3 318.465 2.106 20 0 DEADHO CC[NH2+]CC1CCN(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000417324433 405087220 /nfs/dbraw/zinc/08/72/20/405087220.db2.gz IVUFCWCGWKTJTK-HZPDHXFCSA-N 1 3 324.513 2.138 20 0 DEADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N(C)C1CC([NH3+])C1)N(C)C ZINC000418162749 405115086 /nfs/dbraw/zinc/11/50/86/405115086.db2.gz CWWLYSREVPUOQV-ARAOSMHQSA-N 1 3 318.465 2.117 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@H](C(C)(C)C)C2)CC1 ZINC000361539886 405121811 /nfs/dbraw/zinc/12/18/11/405121811.db2.gz HIGUZOGTAGFRFR-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)N(CCN(C)C)CC2CCCCC2)CC[NH2+]1 ZINC000418614904 405139499 /nfs/dbraw/zinc/13/94/99/405139499.db2.gz XNKPGCKNVNMHDS-RDJZCZTQSA-N 1 3 324.513 2.280 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418626327 405142762 /nfs/dbraw/zinc/14/27/62/405142762.db2.gz SAGLWDZPYJQICW-MRXNPFEDSA-N 1 3 310.486 2.021 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418744196 405190122 /nfs/dbraw/zinc/19/01/22/405190122.db2.gz BTWXZGXGSSIKBU-INIZCTEOSA-N 1 3 324.513 2.282 20 0 DEADHO CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC000437216214 405190860 /nfs/dbraw/zinc/19/08/60/405190860.db2.gz TVFBCZXDXJUXOG-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC000437216215 405191160 /nfs/dbraw/zinc/19/11/60/405191160.db2.gz TVFBCZXDXJUXOG-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418803080 405205792 /nfs/dbraw/zinc/20/57/92/405205792.db2.gz YOOBMHGDRYONMF-CVEARBPZSA-N 1 3 310.486 2.021 20 0 DEADHO C[C@H](CCCc1cccnc1)[NH2+]CCCN1CCCN(C)CC1 ZINC000453106691 405283867 /nfs/dbraw/zinc/28/38/67/405283867.db2.gz ZMHWNASLGGYYLM-GOSISDBHSA-N 1 3 318.509 2.410 20 0 DEADHO COCCN(CC[C@H]1CCC[NH2+]C1)Cc1ccc2c(c1)OCO2 ZINC000420304822 405312592 /nfs/dbraw/zinc/31/25/92/405312592.db2.gz ORLLIGJJHYGKCT-OAHLLOKOSA-N 1 3 320.433 2.253 20 0 DEADHO CCCCOC1CC[NH+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC000420314597 405316053 /nfs/dbraw/zinc/31/60/53/405316053.db2.gz ZCSYNKZGAGBABT-OALUTQOASA-N 1 3 320.477 2.198 20 0 DEADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000420320424 405318542 /nfs/dbraw/zinc/31/85/42/405318542.db2.gz QFEQCKWULIMQLM-JKSUJKDBSA-N 1 3 314.433 2.340 20 0 DEADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000420320424 405318544 /nfs/dbraw/zinc/31/85/44/405318544.db2.gz QFEQCKWULIMQLM-JKSUJKDBSA-N 1 3 314.433 2.340 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000420320424 405318547 /nfs/dbraw/zinc/31/85/47/405318547.db2.gz QFEQCKWULIMQLM-JKSUJKDBSA-N 1 3 314.433 2.340 20 0 DEADHO Cc1cccc(NC(=O)[C@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420323950 405319316 /nfs/dbraw/zinc/31/93/16/405319316.db2.gz AHJQJINZCMDVET-HRCADAONSA-N 1 3 301.434 2.253 20 0 DEADHO CCc1nc(CN2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)cs1 ZINC000420326573 405320843 /nfs/dbraw/zinc/32/08/43/405320843.db2.gz XOWNGZCZKQYRQZ-HNNXBMFYSA-N 1 3 322.522 2.213 20 0 DEADHO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420331386 405321941 /nfs/dbraw/zinc/32/19/41/405321941.db2.gz BVJUIHQUDBEOQG-IGKNDFSCSA-N 1 3 321.509 2.201 20 0 DEADHO C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420333328 405323196 /nfs/dbraw/zinc/32/31/96/405323196.db2.gz SQGYKXGJKAQPGH-OWSLCNJRSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCC1(N(C)C)CCC1 ZINC000445859942 405359502 /nfs/dbraw/zinc/35/95/02/405359502.db2.gz TWKLFSOQQMLFEH-INIZCTEOSA-N 1 3 324.513 2.425 20 0 DEADHO C[C@H](C(=O)Nc1ccccc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420346768 405327916 /nfs/dbraw/zinc/32/79/16/405327916.db2.gz YZSAYYLVXLQMNI-PMPSAXMXSA-N 1 3 301.434 2.335 20 0 DEADHO Cc1cccc(C)c1OCCCN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420348127 405328124 /nfs/dbraw/zinc/32/81/24/405328124.db2.gz JRJOKKRLSHMTQF-SFHVURJKSA-N 1 3 317.477 2.052 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCC1(N(C)C)CCC1 ZINC000445859942 405359505 /nfs/dbraw/zinc/35/95/05/405359505.db2.gz TWKLFSOQQMLFEH-INIZCTEOSA-N 1 3 324.513 2.425 20 0 DEADHO COc1ccc(CCN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000420374665 405336932 /nfs/dbraw/zinc/33/69/32/405336932.db2.gz HVUPGUGIBCEXCG-OALUTQOASA-N 1 3 318.461 2.456 20 0 DEADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(CCOc2cccc(F)c2)CC1 ZINC000420388601 405340973 /nfs/dbraw/zinc/34/09/73/405340973.db2.gz XDZXXFYDNQOCOD-MSOLQXFVSA-N 1 3 322.424 2.423 20 0 DEADHO [NH3+]CC1(O)CCN(CCSc2ccc(Cl)cc2)CC1 ZINC000420407505 405345448 /nfs/dbraw/zinc/34/54/48/405345448.db2.gz UIEVKULVXUVWAI-UHFFFAOYSA-N 1 3 300.855 2.218 20 0 DEADHO C[C@H]1CCN(CCC(=O)NCc2ccccc2Cl)C[C@H]1C[NH3+] ZINC000420408194 405346050 /nfs/dbraw/zinc/34/60/50/405346050.db2.gz PEXJEGRTLCYWNN-DZGCQCFKSA-N 1 3 323.868 2.263 20 0 DEADHO O=C(NCCCCC[NH+]1CCCCC1)[C@@H]1CCCN1C1CC1 ZINC000426335914 405351933 /nfs/dbraw/zinc/35/19/33/405351933.db2.gz RGZTVDDNWREXBA-KRWDZBQOSA-N 1 3 307.482 2.386 20 0 DEADHO CCN1CC[C@@H]([NH2+]Cc2cc3ccccc3n(C)c2=O)[C@H](C)C1 ZINC000426354627 405353858 /nfs/dbraw/zinc/35/38/58/405353858.db2.gz UOOZCDAHRITQGG-RHSMWYFYSA-N 1 3 313.445 2.358 20 0 DEADHO CC[N@@H+]1CC[C@H](NCCOCC(F)(F)C(F)F)[C@@H](C)C1 ZINC000446974520 405397490 /nfs/dbraw/zinc/39/74/90/405397490.db2.gz JENVKGCOEAQMLX-QWRGUYRKSA-N 1 3 300.340 2.223 20 0 DEADHO CC[N@H+]1CC[C@H](NCCOCC(F)(F)C(F)F)[C@@H](C)C1 ZINC000446974520 405397493 /nfs/dbraw/zinc/39/74/93/405397493.db2.gz JENVKGCOEAQMLX-QWRGUYRKSA-N 1 3 300.340 2.223 20 0 DEADHO O=C(C[C@@H]1CCC[NH2+]CC1)N1CCC[C@@H]1CN1CCCCC1 ZINC000427320365 405399545 /nfs/dbraw/zinc/39/95/45/405399545.db2.gz LZKKXIUUWSEHSG-IAGOWNOFSA-N 1 3 307.482 2.243 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448519784 405421440 /nfs/dbraw/zinc/42/14/40/405421440.db2.gz KYCLYFIRUKGLLJ-HPFXQQBRSA-N 1 3 319.493 2.335 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448519784 405421442 /nfs/dbraw/zinc/42/14/42/405421442.db2.gz KYCLYFIRUKGLLJ-HPFXQQBRSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000454642072 405375710 /nfs/dbraw/zinc/37/57/10/405375710.db2.gz LHEBVUCZDZRHTD-BBWFWOEESA-N 1 3 324.513 2.279 20 0 DEADHO C[C@H](N[C@@H](CO)CC(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000429455967 405431387 /nfs/dbraw/zinc/43/13/87/405431387.db2.gz SLNFIAJZRAYENT-GXTWGEPZSA-N 1 3 316.392 2.294 20 0 DEADHO CN(C[C@@H]1CCCN1C)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000421101631 405447236 /nfs/dbraw/zinc/44/72/36/405447236.db2.gz REEIPLQCLZCFNZ-INIZCTEOSA-N 1 3 318.465 2.349 20 0 DEADHO CC[NH2+]CC1CCN([C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000430581344 405460864 /nfs/dbraw/zinc/46/08/64/405460864.db2.gz HEYZTAPTLDYCLC-HRCADAONSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCC(=O)N2CCc3sccc3C2)C1 ZINC000430594992 405463739 /nfs/dbraw/zinc/46/37/39/405463739.db2.gz WTAREPNJHZAXMI-ZIAGYGMSSA-N 1 3 321.490 2.082 20 0 DEADHO CC[C@@H](C(=O)Nc1ccc(OC)cc1)N1CCC(C[NH3+])CC1 ZINC000430607238 405465945 /nfs/dbraw/zinc/46/59/45/405465945.db2.gz BRLIDPBVCYOHOI-INIZCTEOSA-N 1 3 305.422 2.083 20 0 DEADHO COc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2[C@H](C)N)cc1 ZINC000430616480 405467760 /nfs/dbraw/zinc/46/77/60/405467760.db2.gz FQLABNHMMCPLMX-XJKSGUPXSA-N 1 3 305.422 2.226 20 0 DEADHO COc1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@H](C)N)cc1 ZINC000430616480 405467761 /nfs/dbraw/zinc/46/77/61/405467761.db2.gz FQLABNHMMCPLMX-XJKSGUPXSA-N 1 3 305.422 2.226 20 0 DEADHO OC1CC(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C1 ZINC000528019933 405480252 /nfs/dbraw/zinc/48/02/52/405480252.db2.gz VQCMUCVARJVDNM-QLBHFUSHSA-N 1 3 300.446 2.258 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)CS1 ZINC000638462391 405485248 /nfs/dbraw/zinc/48/52/48/405485248.db2.gz MGOAPNFVLXFFMV-JKSUJKDBSA-N 1 3 320.506 2.077 20 0 DEADHO C[C@@H]1CCCC[C@H]1N(C)C(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000431035909 405564709 /nfs/dbraw/zinc/56/47/09/405564709.db2.gz GQVFHBOHHPFIGW-HZPDHXFCSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H](CC(=O)N1CC[C@@H](N2CCCCC2)C1)C1CC[NH2+]CC1 ZINC000430896405 405523155 /nfs/dbraw/zinc/52/31/55/405523155.db2.gz HNRKZVNBLIWOBA-DOTOQJQBSA-N 1 3 307.482 2.099 20 0 DEADHO Cc1ccc(-c2noc(CCCN3CC[C@@H](C[NH3+])C3)n2)cc1F ZINC000430940852 405538731 /nfs/dbraw/zinc/53/87/31/405538731.db2.gz RTNFBJVQPQGBGB-ZDUSSCGKSA-N 1 3 318.396 2.397 20 0 DEADHO NCc1cccc2c1N(C(=O)C[C@H]1CCC[NH2+]CC1)CCC2 ZINC000638545115 405538932 /nfs/dbraw/zinc/53/89/32/405538932.db2.gz PABUZIGRIQLCFK-AWEZNQCLSA-N 1 3 301.434 2.204 20 0 DEADHO C[C@@H](CC(=O)N1CCCc2cccc(CN)c21)[C@@H]1CCC[NH2+]C1 ZINC000638546442 405540694 /nfs/dbraw/zinc/54/06/94/405540694.db2.gz DXYCWCROTBXNML-WMLDXEAASA-N 1 3 315.461 2.450 20 0 DEADHO C[C@@H]([NH3+])C1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000430946851 405541516 /nfs/dbraw/zinc/54/15/16/405541516.db2.gz BWQHSBJARHDWFR-ILXRZTDVSA-N 1 3 303.450 2.312 20 0 DEADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)/C=C\C[NH+](C)C ZINC000493492781 405542838 /nfs/dbraw/zinc/54/28/38/405542838.db2.gz RUKZHLSQWWXCAC-DVESRUBUSA-N 1 3 317.477 2.377 20 0 DEADHO C[C@@H]([NH3+])C1CCN([C@@H](C)C(=O)NCc2ccccc2Cl)CC1 ZINC000430955886 405546038 /nfs/dbraw/zinc/54/60/38/405546038.db2.gz BHJDLVCZASWQFM-OLZOCXBDSA-N 1 3 323.868 2.404 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)N(CC)CC ZINC000638559791 405546487 /nfs/dbraw/zinc/54/64/87/405546487.db2.gz QRGXNMSJNAOWBM-JHJVBQTASA-N 1 3 323.403 2.093 20 0 DEADHO C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccc3c(c2)OCCNC3)cc1 ZINC000638670514 405609233 /nfs/dbraw/zinc/60/92/33/405609233.db2.gz HMJLNJDIDIPUFB-GFCCVEGCSA-N 1 3 311.385 2.441 20 0 DEADHO C[C@H](C(=O)N[C@@H](C)[C@H](C)[NH3+])N1CCC(Cc2ccccc2)CC1 ZINC000449600285 405634111 /nfs/dbraw/zinc/63/41/11/405634111.db2.gz JIQVTCIRUKBHFH-HRCADAONSA-N 1 3 317.477 2.182 20 0 DEADHO C[NH+](C)[C@H](CC(=O)NC1CCN(C2CC2)CC1)c1ccccc1 ZINC000431506279 405634201 /nfs/dbraw/zinc/63/42/01/405634201.db2.gz MMNXWKVBXVTRCV-GOSISDBHSA-N 1 3 315.461 2.422 20 0 DEADHO C[C@@H](CCC[NH3+])NC(=O)c1oc2ccccc2c1CN(C)C ZINC000449569770 405619140 /nfs/dbraw/zinc/61/91/40/405619140.db2.gz DIRZUCJSIQHROB-LBPRGKRZSA-N 1 3 303.406 2.352 20 0 DEADHO COCC(C)(C)C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000494013762 405627569 /nfs/dbraw/zinc/62/75/69/405627569.db2.gz AOLJURQOKHPXIE-UHFFFAOYSA-N 1 3 320.477 2.406 20 0 DEADHO CO[C@H]1COCC[C@@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000449457108 405567782 /nfs/dbraw/zinc/56/77/82/405567782.db2.gz NJQPYBGAWLKCFJ-QAPCUYQASA-N 1 3 310.482 2.425 20 0 DEADHO CCc1ccc([C@H](CNC(=O)CC[NH2+]C(C)C)N(C)C)cc1 ZINC000558166327 405645955 /nfs/dbraw/zinc/64/59/55/405645955.db2.gz MBKWQWYVPNZIKZ-KRWDZBQOSA-N 1 3 305.466 2.356 20 0 DEADHO CC/C=C\CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000458976516 405673983 /nfs/dbraw/zinc/67/39/83/405673983.db2.gz OSPBHECARZJAGM-XITLMJRVSA-N 1 3 310.486 2.010 20 0 DEADHO CC/C=C\CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000458976516 405673988 /nfs/dbraw/zinc/67/39/88/405673988.db2.gz OSPBHECARZJAGM-XITLMJRVSA-N 1 3 310.486 2.010 20 0 DEADHO COCCN(C)CC[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422722823 405675899 /nfs/dbraw/zinc/67/58/99/405675899.db2.gz YXMKHJCVANFLST-WDSOQIARSA-N 1 3 319.493 2.426 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H]2CCCN2C2CC2)C1 ZINC000494310429 405675918 /nfs/dbraw/zinc/67/59/18/405675918.db2.gz KXBRGMUHGDRERP-UXLLHSPISA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H]2CCCN2C2CC2)C1 ZINC000494310429 405675922 /nfs/dbraw/zinc/67/59/22/405675922.db2.gz KXBRGMUHGDRERP-UXLLHSPISA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)(C[NH2+][C@@H]1CCC[C@H]1CN)c1ccc2c(c1)OCCO2 ZINC000422828948 405684600 /nfs/dbraw/zinc/68/46/00/405684600.db2.gz UFCUUDCNPTYVRX-DZGCQCFKSA-N 1 3 304.434 2.452 20 0 DEADHO CC(C)[C@@H](C[NH2+][C@H](C)C[C@H]1COCCN1)N1CCC(C)CC1 ZINC000422850911 405686057 /nfs/dbraw/zinc/68/60/57/405686057.db2.gz WGTZBICPDHJTKW-FGTMMUONSA-N 1 3 311.514 2.100 20 0 DEADHO CC(C)[C@@H](CN[C@H](C)C[C@H]1COCCN1)[NH+]1CCC(C)CC1 ZINC000422850911 405686063 /nfs/dbraw/zinc/68/60/63/405686063.db2.gz WGTZBICPDHJTKW-FGTMMUONSA-N 1 3 311.514 2.100 20 0 DEADHO CC(C)CN1CCO[C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422773752 405681855 /nfs/dbraw/zinc/68/18/55/405681855.db2.gz UXWUIKVTRSQXPN-AKHDSKFASA-N 1 3 323.525 2.244 20 0 DEADHO CCN(CC)C(=O)c1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422802723 405684478 /nfs/dbraw/zinc/68/44/78/405684478.db2.gz BVFGBDPMDBTDAQ-IAGOWNOFSA-N 1 3 303.450 2.386 20 0 DEADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@H]1CCO[C@@H]1C1CC1 ZINC000423009832 405694979 /nfs/dbraw/zinc/69/49/79/405694979.db2.gz FBKPUBIJOFMPOL-RNIPGJKVSA-N 1 3 314.429 2.399 20 0 DEADHO N[C@@H](CC1CCCCC1)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000638845537 405710550 /nfs/dbraw/zinc/71/05/50/405710550.db2.gz GPWSGRLIVWUOMB-SFHVURJKSA-N 1 3 315.461 2.246 20 0 DEADHO COc1cc(OC)c(C[C@H](C)N[C@@H](C)C[C@H](C)[NH3+])c(OC)c1 ZINC000423163968 405707422 /nfs/dbraw/zinc/70/74/22/405707422.db2.gz WFSFSFVEYFCJMP-AVGNSLFASA-N 1 3 310.438 2.359 20 0 DEADHO COc1cc(OC)c(C[C@H](C)[NH2+][C@@H](C)C[C@H](C)N)c(OC)c1 ZINC000423163968 405707428 /nfs/dbraw/zinc/70/74/28/405707428.db2.gz WFSFSFVEYFCJMP-AVGNSLFASA-N 1 3 310.438 2.359 20 0 DEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H](N)C2CCC2)CC1 ZINC000423317357 405758940 /nfs/dbraw/zinc/75/89/40/405758940.db2.gz ATNJBYFHBVPOQO-SFHVURJKSA-N 1 3 315.461 2.203 20 0 DEADHO CCN(Cc1ccc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1)C1CC1 ZINC000432528127 405779016 /nfs/dbraw/zinc/77/90/16/405779016.db2.gz SOBOTARSFPJIFX-KSSFIOAISA-N 1 3 315.461 2.399 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)N(C)C ZINC000495163073 405828929 /nfs/dbraw/zinc/82/89/29/405828929.db2.gz GXOJRSOINVWURN-TWMKSMIVSA-N 1 3 309.498 2.436 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)N(C)C ZINC000495163073 405828934 /nfs/dbraw/zinc/82/89/34/405828934.db2.gz GXOJRSOINVWURN-TWMKSMIVSA-N 1 3 309.498 2.436 20 0 DEADHO Cc1c([C@H](C)N[C@@H](C)CCC[NH3+])nnn1-c1ccc(F)cc1 ZINC000423471746 405817422 /nfs/dbraw/zinc/81/74/22/405817422.db2.gz ZRLKZFCZIWPHCN-RYUDHWBXSA-N 1 3 305.401 2.493 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000639006763 405818159 /nfs/dbraw/zinc/81/81/59/405818159.db2.gz ZBSTVERDBVEICX-SJLPKXTDSA-N 1 3 315.461 2.075 20 0 DEADHO CN(C)Cc1ccccc1C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000423493188 405825156 /nfs/dbraw/zinc/82/51/56/405825156.db2.gz BBEJNJYNSPKLCI-HNNXBMFYSA-N 1 3 324.428 2.212 20 0 DEADHO C[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423339850 405767529 /nfs/dbraw/zinc/76/75/29/405767529.db2.gz ZSNLBYBOKFGUPX-BZNIZROVSA-N 1 3 302.422 2.358 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)[C@@H](C[NH3+])C(C)C)N(C)C)cc1 ZINC000433133160 405875685 /nfs/dbraw/zinc/87/56/85/405875685.db2.gz DFNIYKHFINSGBD-DLBZAZTESA-N 1 3 305.466 2.199 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H]1CN1CCC[C@H](CN2CCOCC2)C1 ZINC000450399324 405876624 /nfs/dbraw/zinc/87/66/24/405876624.db2.gz CPMHFVKLTIRVFY-MOPGFXCFSA-N 1 3 323.525 2.294 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H]1CN1CCC[C@H](CN2CCOCC2)C1 ZINC000450399324 405876630 /nfs/dbraw/zinc/87/66/30/405876630.db2.gz CPMHFVKLTIRVFY-MOPGFXCFSA-N 1 3 323.525 2.294 20 0 DEADHO CCCc1ccc2nccc(NC[C@@](C)(O)C[NH+](C)C)c2c1 ZINC000450408756 405882346 /nfs/dbraw/zinc/88/23/46/405882346.db2.gz TXCPHWHRWVSWGH-GOSISDBHSA-N 1 3 301.434 2.334 20 0 DEADHO [NH3+]CCCN(CC1CCCC1)C(=O)C1CCN(C2CC2)CC1 ZINC000423652551 405893975 /nfs/dbraw/zinc/89/39/75/405893975.db2.gz XREIIIMENOMVHM-UHFFFAOYSA-N 1 3 307.482 2.228 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)N(C)C ZINC000633799323 405845217 /nfs/dbraw/zinc/84/52/17/405845217.db2.gz DKYOSWLUIPWZLX-BPQIPLTHSA-N 1 3 317.477 2.211 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)N(C)C ZINC000633799323 405845225 /nfs/dbraw/zinc/84/52/25/405845225.db2.gz DKYOSWLUIPWZLX-BPQIPLTHSA-N 1 3 317.477 2.211 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000423742343 405940225 /nfs/dbraw/zinc/94/02/25/405940225.db2.gz KZKPAFVRGZGHFJ-QAPCUYQASA-N 1 3 317.477 2.485 20 0 DEADHO CO[C@@H](C[NH+]1CCC(CN2CCN(C)CC2)CC1)C1CCCC1 ZINC000639169315 405940947 /nfs/dbraw/zinc/94/09/47/405940947.db2.gz CXYIUWLEZZHURT-IBGZPJMESA-N 1 3 323.525 2.151 20 0 DEADHO Cc1ccc(CC[NH+]2CCC(CN3CCN(C)CC3)CC2)cc1 ZINC000639170959 405942579 /nfs/dbraw/zinc/94/25/79/405942579.db2.gz MGDAJAYOBGBJOC-UHFFFAOYSA-N 1 3 315.505 2.497 20 0 DEADHO CO[C@@H](CC(C)C)C[NH+]1CCC(CN2CCN(C)CC2)CC1 ZINC000639171127 405944030 /nfs/dbraw/zinc/94/40/30/405944030.db2.gz RFEOQPLERBAUSH-SFHVURJKSA-N 1 3 311.514 2.007 20 0 DEADHO CC(C)[C@@](C)(C[NH3+])NCCC(=O)NCc1ccccc1Cl ZINC000433493190 405954522 /nfs/dbraw/zinc/95/45/22/405954522.db2.gz IXQLCAYHPWHHIM-MRXNPFEDSA-N 1 3 311.857 2.309 20 0 DEADHO CN(C)C[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000423780109 405963448 /nfs/dbraw/zinc/96/34/48/405963448.db2.gz WGZNDYOEVSMGTJ-SNPRPXQTSA-N 1 3 309.841 2.186 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C)[C@@H](C)C3)CC2)CC1 ZINC000561269105 405914778 /nfs/dbraw/zinc/91/47/78/405914778.db2.gz DTLOSEMLODNUQH-HOTGVXAUSA-N 1 3 321.509 2.297 20 0 DEADHO N[C@@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C1CCC1 ZINC000423795886 405972230 /nfs/dbraw/zinc/97/22/30/405972230.db2.gz KUTFBXZVZPDMJS-QGZVFWFLSA-N 1 3 307.482 2.228 20 0 DEADHO CCN1CCC(NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000515805620 406081568 /nfs/dbraw/zinc/08/15/68/406081568.db2.gz LVPWBUFNNUVQOU-UHFFFAOYSA-N 1 3 324.513 2.233 20 0 DEADHO CCN1CCC(NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC000515805620 406081574 /nfs/dbraw/zinc/08/15/74/406081574.db2.gz LVPWBUFNNUVQOU-UHFFFAOYSA-N 1 3 324.513 2.233 20 0 DEADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]1CNCc2ccccc21 ZINC000515843041 406083239 /nfs/dbraw/zinc/08/32/39/406083239.db2.gz OJWKQHBGGULWEH-RTBURBONSA-N 1 3 323.440 2.252 20 0 DEADHO CCN1CCC(NC(=O)C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)CC1 ZINC000464882848 406090381 /nfs/dbraw/zinc/09/03/81/406090381.db2.gz LHAJVGKHBONERZ-HLLBOEOZSA-N 1 3 307.482 2.240 20 0 DEADHO CCN1CCC(NC(=O)C[N@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)CC1 ZINC000464882848 406090386 /nfs/dbraw/zinc/09/03/86/406090386.db2.gz LHAJVGKHBONERZ-HLLBOEOZSA-N 1 3 307.482 2.240 20 0 DEADHO CCc1cccc(OC[C@@H](O)CNC2CC[NH+](C3CC3)CC2)c1 ZINC000567680039 406117341 /nfs/dbraw/zinc/11/73/41/406117341.db2.gz NKCFSUCRHCADAU-SFHVURJKSA-N 1 3 318.461 2.205 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000518371035 406137718 /nfs/dbraw/zinc/13/77/18/406137718.db2.gz LMBQUVRWQLIJTR-QBYUYEEZSA-N 1 3 318.465 2.247 20 0 DEADHO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@@H](N2CCCC2)C1 ZINC000533344606 406137777 /nfs/dbraw/zinc/13/77/77/406137777.db2.gz BJRYUAWUCCZYAB-IAGOWNOFSA-N 1 3 305.466 2.090 20 0 DEADHO O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CC[C@@H](N2CCCC2)C1 ZINC000533344606 406137781 /nfs/dbraw/zinc/13/77/81/406137781.db2.gz BJRYUAWUCCZYAB-IAGOWNOFSA-N 1 3 305.466 2.090 20 0 DEADHO FC(F)(F)CN1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000518513985 406142588 /nfs/dbraw/zinc/14/25/88/406142588.db2.gz BVZOYZKKBNCCFB-XDQVBPFNSA-N 1 3 305.388 2.133 20 0 DEADHO C[C@H]1C[C@@H](NCc2ccccc2N(C)C2CC[NH+](C)CC2)CO1 ZINC000567853159 406148475 /nfs/dbraw/zinc/14/84/75/406148475.db2.gz ZQTSNNBMORJAHI-DOTOQJQBSA-N 1 3 317.477 2.484 20 0 DEADHO C[C@@H](NC(=O)c1ccccc1CN(C)C)C1=CC[N@H+](C)CC1 ZINC000487049221 406201478 /nfs/dbraw/zinc/20/14/78/406201478.db2.gz VKMXSBYKQBBVLU-CQSZACIVSA-N 1 3 301.434 2.128 20 0 DEADHO C[C@@H](NC(=O)c1ccccc1CN(C)C)C1=CC[N@@H+](C)CC1 ZINC000487049221 406201484 /nfs/dbraw/zinc/20/14/84/406201484.db2.gz VKMXSBYKQBBVLU-CQSZACIVSA-N 1 3 301.434 2.128 20 0 DEADHO CC[C@H]1CN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCCO1 ZINC000639623931 406174896 /nfs/dbraw/zinc/17/48/96/406174896.db2.gz VQRIDCAFXSHCOY-OALUTQOASA-N 1 3 318.461 2.124 20 0 DEADHO CC[C@H]1CN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCCO1 ZINC000639623931 406174900 /nfs/dbraw/zinc/17/49/00/406174900.db2.gz VQRIDCAFXSHCOY-OALUTQOASA-N 1 3 318.461 2.124 20 0 DEADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1cccc2c1CCNC2 ZINC000569556933 406268566 /nfs/dbraw/zinc/26/85/66/406268566.db2.gz SPALQIRGDWICET-AWEZNQCLSA-N 1 3 316.449 2.328 20 0 DEADHO COc1ccc([C@H](CO)CNC2CC[NH+](CC3CC3)CC2)cc1 ZINC000570175232 406357336 /nfs/dbraw/zinc/35/73/36/406357336.db2.gz OULDUDDMDXSCDO-KRWDZBQOSA-N 1 3 318.461 2.235 20 0 DEADHO C[C@@H]1C[C@H]1C[NH+]1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000488355988 406313422 /nfs/dbraw/zinc/31/34/22/406313422.db2.gz YLFORRACRLKIMZ-MJGOQNOKSA-N 1 3 301.478 2.392 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000522190654 406397058 /nfs/dbraw/zinc/39/70/58/406397058.db2.gz SOVIGVAGILCYMS-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000522190654 406397060 /nfs/dbraw/zinc/39/70/60/406397060.db2.gz SOVIGVAGILCYMS-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)[C@H]1C[C@H](Nc2cc(N3CCNCC3)cc[nH+]2)CCO1 ZINC000635006155 406397777 /nfs/dbraw/zinc/39/77/77/406397777.db2.gz AUBBTJRCDRVWDH-GDBMZVCRSA-N 1 3 304.438 2.107 20 0 DEADHO CC(C)[C@@H]1C[C@@H](Nc2cc(N3CCNCC3)cc[nH+]2)CCO1 ZINC000635006167 406397861 /nfs/dbraw/zinc/39/78/61/406397861.db2.gz AUBBTJRCDRVWDH-HOCLYGCPSA-N 1 3 304.438 2.107 20 0 DEADHO CCOC(=O)COc1ccc(CC[NH2+][C@@H]2CCC[C@@H](N)C2)cc1 ZINC000569116027 292391662 /nfs/dbraw/zinc/39/16/62/292391662.db2.gz CSNMIKZNEYMGQR-HZPDHXFCSA-N 1 3 320.433 2.031 20 0 DEADHO CCOC(=O)COc1ccc(CCN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000569116027 292391663 /nfs/dbraw/zinc/39/16/63/292391663.db2.gz CSNMIKZNEYMGQR-HZPDHXFCSA-N 1 3 320.433 2.031 20 0 DEADHO C[N@@H+]1CC[C@H](CC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000635071549 406416313 /nfs/dbraw/zinc/41/63/13/406416313.db2.gz PRVNBQWEWHVQGT-QGZVFWFLSA-N 1 3 315.461 2.109 20 0 DEADHO C[N@H+]1CC[C@H](CC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000635071549 406416319 /nfs/dbraw/zinc/41/63/19/406416319.db2.gz PRVNBQWEWHVQGT-QGZVFWFLSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CN1C1CC1 ZINC000546721823 406377536 /nfs/dbraw/zinc/37/75/36/406377536.db2.gz BIKVGCPUBNZHRL-LSDHHAIUSA-N 1 3 307.482 2.382 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CN1C1CC1 ZINC000546721823 406377539 /nfs/dbraw/zinc/37/75/39/406377539.db2.gz BIKVGCPUBNZHRL-LSDHHAIUSA-N 1 3 307.482 2.382 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)C2(C[NH+](C)C)CC2)N(C)C)cc1 ZINC000635135960 406436264 /nfs/dbraw/zinc/43/62/64/406436264.db2.gz BLCRBVFHDOXJRG-QGZVFWFLSA-N 1 3 317.477 2.310 20 0 DEADHO CC(C)(C)c1n[nH]cc1CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000570810753 406441819 /nfs/dbraw/zinc/44/18/19/406441819.db2.gz JSBFJFOWLHRNPP-CVEARBPZSA-N 1 3 320.481 2.426 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000524300464 406445158 /nfs/dbraw/zinc/44/51/58/406445158.db2.gz QNHYOEMISFOUDD-CABCVRRESA-N 1 3 321.490 2.028 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000524300464 406445159 /nfs/dbraw/zinc/44/51/59/406445159.db2.gz QNHYOEMISFOUDD-CABCVRRESA-N 1 3 321.490 2.028 20 0 DEADHO COC(=O)c1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000571567622 406536751 /nfs/dbraw/zinc/53/67/51/406536751.db2.gz UQDRPYJHGRUEKN-UHFFFAOYSA-N 1 3 302.418 2.437 20 0 DEADHO c1cc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc2c1OCO2 ZINC000571752936 406560348 /nfs/dbraw/zinc/56/03/48/406560348.db2.gz AMEDNYRXMILBLH-ARFHVFGLSA-N 1 3 302.418 2.468 20 0 DEADHO CC[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000638085100 406561817 /nfs/dbraw/zinc/56/18/17/406561817.db2.gz JMEGSLUSYGTNAV-RDJZCZTQSA-N 1 3 303.450 2.246 20 0 DEADHO C[C@@H](Cc1ccccc1F)[NH2+]CCCCN1CCN(C)CC1 ZINC000525857911 406510947 /nfs/dbraw/zinc/51/09/47/406510947.db2.gz CIAXOQQBZMJTJV-INIZCTEOSA-N 1 3 307.457 2.374 20 0 DEADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC000635412213 406526059 /nfs/dbraw/zinc/52/60/59/406526059.db2.gz IPFSRJXWUKSPIK-HZPDHXFCSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)[NH2+]CC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000572060029 406600725 /nfs/dbraw/zinc/60/07/25/406600725.db2.gz LMCKQJGACYOBRA-AEFFLSMTSA-N 1 3 317.477 2.496 20 0 DEADHO CC1(C)C[NH2+][C@@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000645787187 406629268 /nfs/dbraw/zinc/62/92/68/406629268.db2.gz ZQZXHIQUTLDCMM-DLBZAZTESA-N 1 3 315.461 2.155 20 0 DEADHO CC(C)C(CNC(=O)N(CCN(C)C)CC[NH+](C)C)C(C)C ZINC000571985581 406591240 /nfs/dbraw/zinc/59/12/40/406591240.db2.gz SMGKGFRZNJBTHY-UHFFFAOYSA-N 1 3 314.518 2.049 20 0 DEADHO CC(C)CC[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000638311431 406692147 /nfs/dbraw/zinc/69/21/47/406692147.db2.gz WDGYKUHDKBCKSH-BHYGNILZSA-N 1 3 307.482 2.225 20 0 DEADHO CC(C)CC[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000638311431 406692151 /nfs/dbraw/zinc/69/21/51/406692151.db2.gz WDGYKUHDKBCKSH-BHYGNILZSA-N 1 3 307.482 2.225 20 0 DEADHO CC(C)CC[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000638413072 406756580 /nfs/dbraw/zinc/75/65/80/406756580.db2.gz WISDODYUDFCLBN-IXDOHACOSA-N 1 3 321.440 2.151 20 0 DEADHO CC[NH+](CC)Cc1cccc(CNC(=O)/C=C\CN(C)C)c1 ZINC000491875074 406758422 /nfs/dbraw/zinc/75/84/22/406758422.db2.gz XZGKBLSRDDKRAR-FLIBITNWSA-N 1 3 303.450 2.262 20 0 DEADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000646071473 406768912 /nfs/dbraw/zinc/76/89/12/406768912.db2.gz PIXXONWMMNYQGP-RZLSGREXSA-N 1 3 321.490 2.245 20 0 DEADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000645951171 406719611 /nfs/dbraw/zinc/71/96/11/406719611.db2.gz FHAMSOPMIZRGJB-TXCZRRACSA-N 1 3 307.482 2.001 20 0 DEADHO [NH3+][C@@H](CCC(=O)N[C@@H]1CCN(CC2CC2)C1)c1ccccc1 ZINC000645953151 406720219 /nfs/dbraw/zinc/72/02/19/406720219.db2.gz FLHPVCWWGIGCSW-SJORKVTESA-N 1 3 301.434 2.067 20 0 DEADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000646106376 406783302 /nfs/dbraw/zinc/78/33/02/406783302.db2.gz WMXYXNCABVJGGE-ROUUACIJSA-N 1 3 315.461 2.252 20 0 DEADHO CCc1[nH+]c2ccccc2c(NC[C@@H]2CN(C)CCN2C)c1C ZINC000554475916 406800087 /nfs/dbraw/zinc/80/00/87/406800087.db2.gz UWSXQLXZJPNCEH-OAHLLOKOSA-N 1 3 312.461 2.185 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000646196932 406814214 /nfs/dbraw/zinc/81/42/14/406814214.db2.gz AHXADUORCPOLIQ-XEZPLFJOSA-N 1 3 306.454 2.235 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)N[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000646196933 406814304 /nfs/dbraw/zinc/81/43/04/406814304.db2.gz AHXADUORCPOLIQ-ZENOOKHLSA-N 1 3 306.454 2.235 20 0 DEADHO C[NH+](C)CC1CCC(NC(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC000646262347 406830083 /nfs/dbraw/zinc/83/00/83/406830083.db2.gz IQJVKGBJFGUQJH-JFUPDXTOSA-N 1 3 315.461 2.110 20 0 DEADHO C[NH+](C)CCOCCNCc1ccc2ccc(F)c(F)c2n1 ZINC000641746552 406883028 /nfs/dbraw/zinc/88/30/28/406883028.db2.gz ABYMUYMZRSJIIV-UHFFFAOYSA-N 1 3 309.360 2.181 20 0 DEADHO CN(C)CCN(C)CCC[NH2+]Cc1cc2ccccc2n1C ZINC000641774457 406889649 /nfs/dbraw/zinc/88/96/49/406889649.db2.gz FSYMMBAYJZXRPV-UHFFFAOYSA-N 1 3 302.466 2.151 20 0 DEADHO CCOc1ccccc1NC(=O)CC[NH2+][C@@H]1C[C@H](N)C1(C)C ZINC000641802072 406895210 /nfs/dbraw/zinc/89/52/10/406895210.db2.gz HMLUTAPVPMIDQR-LSDHHAIUSA-N 1 3 305.422 2.129 20 0 DEADHO CSc1ccccc1NC(=O)CC[NH2+][C@H]1C[C@@H](N)C1(C)C ZINC000641803113 406896123 /nfs/dbraw/zinc/89/61/23/406896123.db2.gz DVTIOWJJCQXLNC-KGLIPLIRSA-N 1 3 307.463 2.453 20 0 DEADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CO[C@H](C)C3)cc2)CC1 ZINC000647172334 406964087 /nfs/dbraw/zinc/96/40/87/406964087.db2.gz SNBZNMULPIVNEX-APWZRJJASA-N 1 3 317.477 2.091 20 0 DEADHO C[C@@H](N[C@H](C[NH3+])C1CCCCC1)c1cccc(-n2cnnn2)c1 ZINC000643511256 407009727 /nfs/dbraw/zinc/00/97/27/407009727.db2.gz IPXLAYJBSMJPMH-CXAGYDPISA-N 1 3 314.437 2.221 20 0 DEADHO C[C@H]1C[C@H]([NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)CCN1C ZINC000647344403 406988873 /nfs/dbraw/zinc/98/88/73/406988873.db2.gz PXCXUGUPVDTEAB-AITUJVMLSA-N 1 3 301.478 2.404 20 0 DEADHO Cc1cccc(C)c1OC[C@H](O)CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000643464012 407003575 /nfs/dbraw/zinc/00/35/75/407003575.db2.gz UNSLXPAJPBIDHP-XYPHTWIQSA-N 1 3 306.450 2.021 20 0 DEADHO C[C@@H](NC[C@@H]1CCCC[NH2+]1)c1ccc(OCCN(C)C)cc1 ZINC000643501751 407008663 /nfs/dbraw/zinc/00/86/63/407008663.db2.gz PGGJTLKMWHSKMQ-WBVHZDCISA-N 1 3 305.466 2.420 20 0 DEADHO CC(C)CCNC(=O)[C@H](C)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976397 407091909 /nfs/dbraw/zinc/09/19/09/407091909.db2.gz NSPALAHUNRQHQY-YESZJQIVSA-N 1 3 309.498 2.249 20 0 DEADHO O=C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)NC(C1CC1)C1CC1 ZINC000647977198 407092742 /nfs/dbraw/zinc/09/27/42/407092742.db2.gz ZDOACUCCYIUMEF-IAGOWNOFSA-N 1 3 319.493 2.003 20 0 DEADHO CC[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)CCO1 ZINC000648510656 407190804 /nfs/dbraw/zinc/19/08/04/407190804.db2.gz FZMMCZMSEXGUOU-CEXWTWQISA-N 1 3 318.461 2.300 20 0 DEADHO CN(C[C@H](O)CNc1ccc2c(c1)CC[C@@H]2[NH+](C)C)C1CC1 ZINC000644702986 407170297 /nfs/dbraw/zinc/17/02/97/407170297.db2.gz UCUAMAKRYMICIQ-AEFFLSMTSA-N 1 3 303.450 2.103 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645107910 407232406 /nfs/dbraw/zinc/23/24/06/407232406.db2.gz SOMZENNDFOIWCC-BBWFWOEESA-N 1 3 307.482 2.275 20 0 DEADHO C[C@H](C(=O)N1CCN(c2cc[nH+]cc2)CC1)[C@@H](N)c1ccccc1 ZINC000645221452 407248697 /nfs/dbraw/zinc/24/86/97/407248697.db2.gz NIQQOJMLZUQZDL-MAUKXSAKSA-N 1 3 324.428 2.066 20 0 DEADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2NCC2(C)C)cc1 ZINC000645225724 407249540 /nfs/dbraw/zinc/24/95/40/407249540.db2.gz IMSCYQKKQRUGKU-INIZCTEOSA-N 1 3 303.450 2.143 20 0 DEADHO Cc1ccccc1CN1CCCN(C(=O)CC[C@@H](C)[NH3+])CC1 ZINC000645472466 407283212 /nfs/dbraw/zinc/28/32/12/407283212.db2.gz KNQMYXRXRUEEPN-MRXNPFEDSA-N 1 3 303.450 2.157 20 0 DEADHO Cc1ccccc1CN1CCC(NC(=O)[C@@H]2CC[NH2+][C@@H]2C)CC1 ZINC000645564932 407294413 /nfs/dbraw/zinc/29/44/13/407294413.db2.gz KICQHJINPJAMCI-CRAIPNDOSA-N 1 3 315.461 2.074 20 0 DEADHO C[C@H](Cn1cccn1)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000569684253 292434192 /nfs/dbraw/zinc/43/41/92/292434192.db2.gz MDVKNZYDICZCRH-HFTRVMKXSA-N 1 3 312.417 2.117 20 0 DEADHO CC(C)(C)c1n[nH]cc1CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000570810756 292508031 /nfs/dbraw/zinc/50/80/31/292508031.db2.gz JSBFJFOWLHRNPP-HOTGVXAUSA-N 1 3 320.481 2.426 20 0 DEADHO CN1CCN(CCCC[NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000570869380 292512053 /nfs/dbraw/zinc/51/20/53/292512053.db2.gz VLCFDXXRRJTNMD-SFHVURJKSA-N 1 3 317.477 2.387 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H](N)C2CCC2)C1 ZINC000423365306 287274409 /nfs/dbraw/zinc/27/44/09/287274409.db2.gz WOCZAKATTHNNGL-INMHGKMJSA-N 1 3 307.482 2.227 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H](N)C2CCC2)C1 ZINC000423365306 287274411 /nfs/dbraw/zinc/27/44/11/287274411.db2.gz WOCZAKATTHNNGL-INMHGKMJSA-N 1 3 307.482 2.227 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H]2CCCCN2)C1 ZINC000263254602 287274582 /nfs/dbraw/zinc/27/45/82/287274582.db2.gz KLBRRPFAYMILIU-BRWVUGGUSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H]2CCCCN2)C1 ZINC000263254602 287274584 /nfs/dbraw/zinc/27/45/84/287274584.db2.gz KLBRRPFAYMILIU-BRWVUGGUSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@](C)(O)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000134031156 196354851 /nfs/dbraw/zinc/35/48/51/196354851.db2.gz LNSMFFFOZFBMCB-IBGZPJMESA-N 1 3 319.493 2.468 20 0 DEADHO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCc1ccc2c(c1)CNC2 ZINC000188705926 225029212 /nfs/dbraw/zinc/02/92/12/225029212.db2.gz WVDKJHAAOJKDDI-DLBZAZTESA-N 1 3 301.434 2.204 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)NC(C)(C)CCC[NH+](C)C)C1 ZINC000457698641 287350960 /nfs/dbraw/zinc/35/09/60/287350960.db2.gz VTMMKPWMNUYRPZ-OAHLLOKOSA-N 1 3 312.502 2.138 20 0 DEADHO CC[C@@](CNC[C@@H]1CCC[NH2+]C1)(C(=O)OC)c1ccccc1 ZINC000415138917 287399311 /nfs/dbraw/zinc/39/93/11/287399311.db2.gz KUVPSHLESHOWGW-QAPCUYQASA-N 1 3 304.434 2.097 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000291167464 222189001 /nfs/dbraw/zinc/18/90/01/222189001.db2.gz JPJNNQVRRWCNSD-GOSISDBHSA-N 1 3 317.477 2.387 20 0 DEADHO CN(C)CCN(C(=O)Nc1ccc(C[NH3+])cc1)C1CCCC1 ZINC000415981172 228759330 /nfs/dbraw/zinc/75/93/30/228759330.db2.gz UUKSRUBKWWLIFL-UHFFFAOYSA-N 1 3 304.438 2.483 20 0 DEADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)N(C)C)cc1 ZINC000417301701 229004901 /nfs/dbraw/zinc/00/49/01/229004901.db2.gz BVAWSWYEUGEUIB-UAGQMJEPSA-N 1 3 318.465 2.037 20 0 DEADHO C[C@@]1(O)C[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000417391895 229019345 /nfs/dbraw/zinc/01/93/45/229019345.db2.gz AWPKWXZOMGJDPN-NTZUZEMLSA-N 1 3 300.446 2.400 20 0 DEADHO C[C@@]1(O)C[C@H](N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000417391895 229019347 /nfs/dbraw/zinc/01/93/47/229019347.db2.gz AWPKWXZOMGJDPN-NTZUZEMLSA-N 1 3 300.446 2.400 20 0 DEADHO C[C@@]1(O)C[C@H](N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000417391895 229019350 /nfs/dbraw/zinc/01/93/50/229019350.db2.gz AWPKWXZOMGJDPN-NTZUZEMLSA-N 1 3 300.446 2.400 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000417790145 229102219 /nfs/dbraw/zinc/10/22/19/229102219.db2.gz HNPUVRPNMLWWGO-IMJJTQAJSA-N 1 3 303.450 2.298 20 0 DEADHO C[C@H](CC[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000417825885 229115029 /nfs/dbraw/zinc/11/50/29/229115029.db2.gz BTIQKMJGDYTZJL-HLLBOEOZSA-N 1 3 318.465 2.076 20 0 DEADHO C[C@H](CC[NH3+])NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000417735127 229082224 /nfs/dbraw/zinc/08/22/24/229082224.db2.gz KZAHPOHKDOOINM-VNHYZAJKSA-N 1 3 324.494 2.168 20 0 DEADHO C[C@@H](NC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)[C@@H](c1ccccc1)N(C)C ZINC000418179859 229256974 /nfs/dbraw/zinc/25/69/74/229256974.db2.gz JXZULVDBLYLKJS-SRABZTEZSA-N 1 3 318.465 2.057 20 0 DEADHO C[C@H](NC(=O)N1CC[C@@](C)(C[NH3+])C1)[C@H](c1ccccc1)N(C)C ZINC000418192805 229263221 /nfs/dbraw/zinc/26/32/21/229263221.db2.gz YVGNTQZDTXPTIZ-LESCRADOSA-N 1 3 318.465 2.058 20 0 DEADHO CN(C)CCN(Cc1ccsc1)C(=O)NC1CCC([NH3+])CC1 ZINC000418381983 229330413 /nfs/dbraw/zinc/33/04/13/229330413.db2.gz HIUHKPCBTRFHIS-UHFFFAOYSA-N 1 3 324.494 2.091 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)NC1CCC([NH3+])CC1 ZINC000418389944 229333243 /nfs/dbraw/zinc/33/32/43/229333243.db2.gz APDFAWMJWJZQFP-UHFFFAOYSA-N 1 3 324.513 2.410 20 0 DEADHO NC[C@H](NC(=O)NCC1=CC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000418503692 229369376 /nfs/dbraw/zinc/36/93/76/229369376.db2.gz ZHHBUDBPAWLODG-SFHVURJKSA-N 1 3 324.428 2.059 20 0 DEADHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418599229 229399287 /nfs/dbraw/zinc/39/92/87/229399287.db2.gz ZGWLTFVNRBAXMR-IAGOWNOFSA-N 1 3 318.465 2.030 20 0 DEADHO FC(F)C(F)(F)COCCN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420307701 229643455 /nfs/dbraw/zinc/64/34/55/229643455.db2.gz CBVBZBZYYCRACZ-LBPRGKRZSA-N 1 3 312.351 2.225 20 0 DEADHO COc1ccc(CN2CCC(C[NH2+][C@H]3CCC[C@@H]3N)CC2)cc1 ZINC000422789397 230208929 /nfs/dbraw/zinc/20/89/29/230208929.db2.gz WOBYGPXCUOBSQU-OALUTQOASA-N 1 3 317.477 2.377 20 0 DEADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Oc1cccc(F)c1 ZINC000422789417 230209037 /nfs/dbraw/zinc/20/90/37/230209037.db2.gz OLRFPYCKIDUMET-XFKAJCMBSA-N 1 3 322.424 2.340 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(OC(F)(F)F)cc1 ZINC000422799799 230216659 /nfs/dbraw/zinc/21/66/59/230216659.db2.gz YMPBDYLUZBKGHJ-GDLCADMTSA-N 1 3 318.339 2.427 20 0 DEADHO N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000422849152 230242982 /nfs/dbraw/zinc/24/29/82/230242982.db2.gz URZBBKUMXKTWON-DLBZAZTESA-N 1 3 310.401 2.303 20 0 DEADHO C[C@H](C[C@@H]1COCCN1)[NH2+]C[C@@H]1CCCN1CC1CCCCC1 ZINC000422910454 230271896 /nfs/dbraw/zinc/27/18/96/230271896.db2.gz QLZMEYQXDHFVNC-QRQLOZEOSA-N 1 3 323.525 2.388 20 0 DEADHO C[C@H](C[C@@H]1COCCN1)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000422910454 230271900 /nfs/dbraw/zinc/27/19/00/230271900.db2.gz QLZMEYQXDHFVNC-QRQLOZEOSA-N 1 3 323.525 2.388 20 0 DEADHO C[C@H](C[C@@H]1COCCN1)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000422910454 230271905 /nfs/dbraw/zinc/27/19/05/230271905.db2.gz QLZMEYQXDHFVNC-QRQLOZEOSA-N 1 3 323.525 2.388 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000422936043 230284518 /nfs/dbraw/zinc/28/45/18/230284518.db2.gz HTQVJFRIHYMABU-LSDHHAIUSA-N 1 3 324.900 2.177 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1cccc(Br)c1 ZINC000422937016 230286715 /nfs/dbraw/zinc/28/67/15/230286715.db2.gz NMSGRQOQMDWHNV-ZLKJLUDKSA-N 1 3 313.239 2.291 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1cccc(OCC(F)F)c1 ZINC000422947211 230288162 /nfs/dbraw/zinc/28/81/62/230288162.db2.gz QCJSOTUQGFOMLP-TUKIKUTGSA-N 1 3 314.376 2.172 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@H]1NCCNC(=O)c1ccccc1Cl ZINC000422957485 230293270 /nfs/dbraw/zinc/29/32/70/230293270.db2.gz UJJVRXVZAGHBNL-IUODEOHRSA-N 1 3 309.841 2.177 20 0 DEADHO NC[C@H]1CCCC[C@H]1[NH2+]CCNC(=O)c1ccccc1Cl ZINC000422957485 230293273 /nfs/dbraw/zinc/29/32/73/230293273.db2.gz UJJVRXVZAGHBNL-IUODEOHRSA-N 1 3 309.841 2.177 20 0 DEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000422955156 230293639 /nfs/dbraw/zinc/29/36/39/230293639.db2.gz ITQFQEBEDAFPIC-YJBOKZPZSA-N 1 3 315.461 2.416 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCNC(=O)c1ccccc1Cl ZINC000422957487 230294586 /nfs/dbraw/zinc/29/45/86/230294586.db2.gz UJJVRXVZAGHBNL-WFASDCNBSA-N 1 3 309.841 2.177 20 0 DEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCNC(=O)c1ccccc1Cl ZINC000422957487 230294590 /nfs/dbraw/zinc/29/45/90/230294590.db2.gz UJJVRXVZAGHBNL-WFASDCNBSA-N 1 3 309.841 2.177 20 0 DEADHO C[C@H](NCCCOc1ccc(C(F)(F)F)cn1)[C@H]1CC[NH2+]C1 ZINC000423068353 230337824 /nfs/dbraw/zinc/33/78/24/230337824.db2.gz BLWSZSJYPFUQJH-RYUDHWBXSA-N 1 3 317.355 2.457 20 0 DEADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CCCN(c2ccnn2C)C1 ZINC000423085679 230345538 /nfs/dbraw/zinc/34/55/38/230345538.db2.gz KGVNNWIYTLZAMC-BRWVUGGUSA-N 1 3 319.497 2.289 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCCN1C)CC(C)C ZINC000195125355 424880057 /nfs/dbraw/zinc/88/00/57/424880057.db2.gz IEPHGTSYGUVWQW-HZPDHXFCSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H](c1ccccc1)N(C)C ZINC000648863998 424918863 /nfs/dbraw/zinc/91/88/63/424918863.db2.gz IJABEPHAZSSLHF-MUIFIZLQSA-N 1 3 303.450 2.134 20 0 DEADHO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H](c1ccccc1)N(C)C ZINC000648863998 424918864 /nfs/dbraw/zinc/91/88/64/424918864.db2.gz IJABEPHAZSSLHF-MUIFIZLQSA-N 1 3 303.450 2.134 20 0 DEADHO CCCN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@H]1CCN(C)C1 ZINC000648997498 424940343 /nfs/dbraw/zinc/94/03/43/424940343.db2.gz QYBCVXJYKULCGS-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO O=C(C[C@H]1CC[NH2+]C1)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000249577559 424887710 /nfs/dbraw/zinc/88/77/10/424887710.db2.gz PWJULMKDVDOJIR-QZTJIDSGSA-N 1 3 315.461 2.157 20 0 DEADHO O=C(CC[NH2+]C1CC1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000316013384 424897763 /nfs/dbraw/zinc/89/77/63/424897763.db2.gz DOBBBBPZSFKIGD-QGZVFWFLSA-N 1 3 301.434 2.082 20 0 DEADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000649371033 425002858 /nfs/dbraw/zinc/00/28/58/425002858.db2.gz GDUZDFCWVYPFKA-NEPJUHHUSA-N 1 3 303.406 2.350 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccco1 ZINC000649220132 424970843 /nfs/dbraw/zinc/97/08/43/424970843.db2.gz CBFYTBPPKVTMTB-GBJTYRQASA-N 1 3 307.438 2.165 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccco1 ZINC000649220132 424970845 /nfs/dbraw/zinc/97/08/45/424970845.db2.gz CBFYTBPPKVTMTB-GBJTYRQASA-N 1 3 307.438 2.165 20 0 DEADHO CC[C@@]1(C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649342571 424997045 /nfs/dbraw/zinc/99/70/45/424997045.db2.gz ADUSOPGAXNRQMM-HKUYNNGSSA-N 1 3 315.461 2.252 20 0 DEADHO CN(C)c1ncc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000650721971 425043051 /nfs/dbraw/zinc/04/30/51/425043051.db2.gz HJCNYRXILPXUGT-NWANDNLSSA-N 1 3 324.494 2.070 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000663503664 425173772 /nfs/dbraw/zinc/17/37/72/425173772.db2.gz RNZDKNZUFLQXED-XJKSGUPXSA-N 1 3 307.438 2.375 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H](C3CCCCC3)C2)C1 ZINC000663503495 425174889 /nfs/dbraw/zinc/17/48/89/425174889.db2.gz NYUOCTWSRDISRX-FUHWJXTLSA-N 1 3 321.509 2.476 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H](C3CCCCC3)C2)C1 ZINC000663503495 425174893 /nfs/dbraw/zinc/17/48/93/425174893.db2.gz NYUOCTWSRDISRX-FUHWJXTLSA-N 1 3 321.509 2.476 20 0 DEADHO C[N@@H+]1CC[C@]2(CCN(C[C@H]3CCCN(C(=O)C(C)(C)C)C3)C2)C1 ZINC000660616593 425177018 /nfs/dbraw/zinc/17/70/18/425177018.db2.gz NYWLBMKPOXWFRY-APWZRJJASA-N 1 3 321.509 2.299 20 0 DEADHO C[N@H+]1CC[C@]2(CCN(C[C@H]3CCCN(C(=O)C(C)(C)C)C3)C2)C1 ZINC000660616593 425177021 /nfs/dbraw/zinc/17/70/21/425177021.db2.gz NYWLBMKPOXWFRY-APWZRJJASA-N 1 3 321.509 2.299 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000666760917 425177583 /nfs/dbraw/zinc/17/75/83/425177583.db2.gz JBJZDQSATZVQKA-INIZCTEOSA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@H+](C)C[C@H](O)CN[C@@H](CN1CCCCC1)c1ccccc1 ZINC000653612318 425191600 /nfs/dbraw/zinc/19/16/00/425191600.db2.gz KFNDIFDZUBGSMQ-MOPGFXCFSA-N 1 3 319.493 2.116 20 0 DEADHO CC[N@@H+](C)C[C@H](O)CN[C@@H](CN1CCCCC1)c1ccccc1 ZINC000653612318 425191603 /nfs/dbraw/zinc/19/16/03/425191603.db2.gz KFNDIFDZUBGSMQ-MOPGFXCFSA-N 1 3 319.493 2.116 20 0 DEADHO C[NH2+]Cc1ccccc1CNC(=O)N[C@@H](C)CN1CCCCC1 ZINC000652128169 425192159 /nfs/dbraw/zinc/19/21/59/425192159.db2.gz QVHUDNPFGJPFSQ-HNNXBMFYSA-N 1 3 318.465 2.080 20 0 DEADHO CN(C)CCOc1ccc(CNC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000666842305 425195333 /nfs/dbraw/zinc/19/53/33/425195333.db2.gz SADPBDDGRAMTRO-SFHVURJKSA-N 1 3 305.466 2.106 20 0 DEADHO CCN(C)C(=O)CC[NH+]1CCC(NCc2ccccc2)CC1 ZINC000660676722 425203995 /nfs/dbraw/zinc/20/39/95/425203995.db2.gz UQAKLMHNXHUABV-UHFFFAOYSA-N 1 3 303.450 2.109 20 0 DEADHO C[C@H]1CCCCC[C@@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000651830531 425149124 /nfs/dbraw/zinc/14/91/24/425149124.db2.gz WYLVAYCSSKVCIC-ROUUACIJSA-N 1 3 323.525 2.341 20 0 DEADHO CN(C)[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000666664531 425155799 /nfs/dbraw/zinc/15/57/99/425155799.db2.gz GVLCQBFWAPWSMA-RDJZCZTQSA-N 1 3 322.497 2.129 20 0 DEADHO CN(C)[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000666664531 425155803 /nfs/dbraw/zinc/15/58/03/425155803.db2.gz GVLCQBFWAPWSMA-RDJZCZTQSA-N 1 3 322.497 2.129 20 0 DEADHO CCN(CC)C(=O)C[C@H](C)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663468560 425164777 /nfs/dbraw/zinc/16/47/77/425164777.db2.gz MCUPQQOICKLNPX-RDJZCZTQSA-N 1 3 309.498 2.345 20 0 DEADHO CCN(CC)C(=O)C[C@H](C)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468560 425164783 /nfs/dbraw/zinc/16/47/83/425164783.db2.gz MCUPQQOICKLNPX-RDJZCZTQSA-N 1 3 309.498 2.345 20 0 DEADHO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663468560 425164788 /nfs/dbraw/zinc/16/47/88/425164788.db2.gz MCUPQQOICKLNPX-RDJZCZTQSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)C(C)(C)n1cncn1 ZINC000663466620 425165176 /nfs/dbraw/zinc/16/51/76/425165176.db2.gz WCAVXYZOWMDPAF-GDBMZVCRSA-N 1 3 305.470 2.113 20 0 DEADHO CC[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)[C@H]1CCCCO1 ZINC000653875568 425242931 /nfs/dbraw/zinc/24/29/31/425242931.db2.gz WNYVMOCYEMDUHW-QZTJIDSGSA-N 1 3 311.514 2.340 20 0 DEADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000660825298 425247896 /nfs/dbraw/zinc/24/78/96/425247896.db2.gz UKYSWYTXIMHODR-GJZGRUSLSA-N 1 3 310.486 2.033 20 0 DEADHO COCc1csc(C[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)c1 ZINC000657358128 425316323 /nfs/dbraw/zinc/31/63/23/425316323.db2.gz BSIUGVPOMONPIE-HNNXBMFYSA-N 1 3 323.506 2.153 20 0 DEADHO CC[C@@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)CO1 ZINC000657378457 425321057 /nfs/dbraw/zinc/32/10/57/425321057.db2.gz WVXLMKZZNQBRIC-DLBZAZTESA-N 1 3 309.498 2.094 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CCCN2CCCC[C@H]12)C[NH+]1CCCC1 ZINC000654388492 425340831 /nfs/dbraw/zinc/34/08/31/425340831.db2.gz NUURIJMVVHDUND-BRWVUGGUSA-N 1 3 322.497 2.034 20 0 DEADHO CC[NH+]1CCC(CNCc2cc(C(F)(F)F)nn2C)CC1 ZINC000657347296 425311417 /nfs/dbraw/zinc/31/14/17/425311417.db2.gz QCOFOLHMSAACQW-UHFFFAOYSA-N 1 3 304.360 2.260 20 0 DEADHO OC[C@@H]1CCC[N@@H+]1CCCCNCc1ccc(F)c(F)c1F ZINC000657356316 425315270 /nfs/dbraw/zinc/31/52/70/425315270.db2.gz KGTMCJCVAWTZGO-ZDUSSCGKSA-N 1 3 316.367 2.430 20 0 DEADHO OC[C@@H]1CCC[N@H+]1CCCCNCc1ccc(F)c(F)c1F ZINC000657356316 425315274 /nfs/dbraw/zinc/31/52/74/425315274.db2.gz KGTMCJCVAWTZGO-ZDUSSCGKSA-N 1 3 316.367 2.430 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000661209251 425352142 /nfs/dbraw/zinc/35/21/42/425352142.db2.gz AOCNZCZHQPWTKT-HUUCEWRRSA-N 1 3 312.502 2.279 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000661209251 425352146 /nfs/dbraw/zinc/35/21/46/425352146.db2.gz AOCNZCZHQPWTKT-HUUCEWRRSA-N 1 3 312.502 2.279 20 0 DEADHO C[NH+](C)CCOc1cccc(CN[C@@H]2COC3(CCC3)C2)c1 ZINC000657840563 425407577 /nfs/dbraw/zinc/40/75/77/425407577.db2.gz HEHOXKWBCRVJKF-INIZCTEOSA-N 1 3 304.434 2.428 20 0 DEADHO C[C@@H](Cn1cncn1)[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000657861405 425411506 /nfs/dbraw/zinc/41/15/06/425411506.db2.gz ROOCMEOUEQIWGH-AWEZNQCLSA-N 1 3 319.478 2.230 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000661287749 425369945 /nfs/dbraw/zinc/36/99/45/425369945.db2.gz GQJYGUBOZCJIQQ-MRXNPFEDSA-N 1 3 322.497 2.175 20 0 DEADHO CC(C)(C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)[C@@H](N)c1ccccc1 ZINC000653193026 425429504 /nfs/dbraw/zinc/42/95/04/425429504.db2.gz AFHDZJFLMZNKAP-BXWFABGCSA-N 1 3 315.461 2.300 20 0 DEADHO CN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H]1CCN(C2CC2)C1 ZINC000654773025 425439511 /nfs/dbraw/zinc/43/95/11/425439511.db2.gz KRYXSNRLLNAYLC-GOSISDBHSA-N 1 3 315.461 2.099 20 0 DEADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@@H]1CCOC1 ZINC000658164862 425449741 /nfs/dbraw/zinc/44/97/41/425449741.db2.gz FYWQHBXAKJMBGU-CRAIPNDOSA-N 1 3 303.450 2.308 20 0 DEADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1nccn1C ZINC000658165280 425450087 /nfs/dbraw/zinc/45/00/87/425450087.db2.gz HUPRHSQGSBLVOJ-OAHLLOKOSA-N 1 3 313.449 2.378 20 0 DEADHO C[C@H]1COCC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166311 425450206 /nfs/dbraw/zinc/45/02/06/425450206.db2.gz NSMFLCNZNAQIAP-MAUKXSAKSA-N 1 3 303.450 2.308 20 0 DEADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccncn1 ZINC000658167480 425451125 /nfs/dbraw/zinc/45/11/25/425451125.db2.gz YDEZOGCHHJEJJA-OAHLLOKOSA-N 1 3 311.433 2.434 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000654887423 425461999 /nfs/dbraw/zinc/46/19/99/425461999.db2.gz HDDUHSXJKKXUOU-KDOFPFPSSA-N 1 3 315.461 2.003 20 0 DEADHO CN(C[C@H]1CCCN1C)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000661854083 425513387 /nfs/dbraw/zinc/51/33/87/425513387.db2.gz HANMTAPKHKEUMT-DOTOQJQBSA-N 1 3 322.497 2.129 20 0 DEADHO CN(C[C@H]1CCCN1C)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000661854083 425513389 /nfs/dbraw/zinc/51/33/89/425513389.db2.gz HANMTAPKHKEUMT-DOTOQJQBSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)(C)O[C@@H]1C[C@H](NC[C@H](O)C[NH+]2CCCC2)C12CCC2 ZINC000661850310 425514185 /nfs/dbraw/zinc/51/41/85/425514185.db2.gz ZYMVMKWDOQVXEQ-HRCADAONSA-N 1 3 310.482 2.159 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(CN)c2)C1 ZINC000659017696 425520721 /nfs/dbraw/zinc/52/07/21/425520721.db2.gz HTCHDLBEKWNLJM-AWEZNQCLSA-N 1 3 304.438 2.387 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(CN)c2)C1 ZINC000659017696 425520725 /nfs/dbraw/zinc/52/07/25/425520725.db2.gz HTCHDLBEKWNLJM-AWEZNQCLSA-N 1 3 304.438 2.387 20 0 DEADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)[C@@H]2CCOC2)cc1F ZINC000665259783 425532090 /nfs/dbraw/zinc/53/20/90/425532090.db2.gz PWHLNVFPUWHKJN-UTXMOHQDSA-N 1 3 322.424 2.294 20 0 DEADHO CCCN1CC[C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000665274183 425533615 /nfs/dbraw/zinc/53/36/15/425533615.db2.gz LLQYZXIHNNZOCV-WDYCEAGBSA-N 1 3 315.461 2.316 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC1(CN2CCN(c3ccccc3)CC2)CC1 ZINC000665272583 425533941 /nfs/dbraw/zinc/53/39/41/425533941.db2.gz HXZGLAAEJKQAKQ-DLBZAZTESA-N 1 3 316.493 2.057 20 0 DEADHO Nc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000665272809 425534146 /nfs/dbraw/zinc/53/41/46/425534146.db2.gz LTSMPIJAMCKXHK-VSZNYVQBSA-N 1 3 301.434 2.003 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2NCc3ccccc32)[C@@H](C)C1 ZINC000659259973 425561053 /nfs/dbraw/zinc/56/10/53/425561053.db2.gz CTHLJRDBQUVDOV-WBAXXEDZSA-N 1 3 315.461 2.410 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2NCc3ccccc32)[C@@H](C)C1 ZINC000659259973 425561057 /nfs/dbraw/zinc/56/10/57/425561057.db2.gz CTHLJRDBQUVDOV-WBAXXEDZSA-N 1 3 315.461 2.410 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2NCc3ccccc32)[C@H](C)C1 ZINC000659259970 425561407 /nfs/dbraw/zinc/56/14/07/425561407.db2.gz CTHLJRDBQUVDOV-OLMNPRSZSA-N 1 3 315.461 2.410 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2NCc3ccccc32)[C@H](C)C1 ZINC000659259970 425561412 /nfs/dbraw/zinc/56/14/12/425561412.db2.gz CTHLJRDBQUVDOV-OLMNPRSZSA-N 1 3 315.461 2.410 20 0 DEADHO CN(CCCNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2)Cc1ccccc1 ZINC000655443319 425568091 /nfs/dbraw/zinc/56/80/91/425568091.db2.gz QXSXZDOXRLIFSJ-HKUYNNGSSA-N 1 3 315.461 2.014 20 0 DEADHO O[C@@H]1CCN(C2CC[NH+](CC3CCC(F)(F)CC3)CC2)C1 ZINC000662149632 425574425 /nfs/dbraw/zinc/57/44/25/425574425.db2.gz PIDXJPVIIMOLIG-OAHLLOKOSA-N 1 3 302.409 2.343 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N1CCC2(CC[NH2+]CC2)CC1 ZINC000659323174 425577159 /nfs/dbraw/zinc/57/71/59/425577159.db2.gz VHLXCSLZXSIZEK-KRWDZBQOSA-N 1 3 313.445 2.213 20 0 DEADHO C[C@@H]1CCCN(C(=O)C[C@@H]2NCc3ccccc32)[C@@H]1CC[NH3+] ZINC000659328538 425580147 /nfs/dbraw/zinc/58/01/47/425580147.db2.gz OJJYYYDNQOVUPQ-XOKHGSTOSA-N 1 3 301.434 2.197 20 0 DEADHO CCC[C@@H](C)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665638815 425611141 /nfs/dbraw/zinc/61/11/41/425611141.db2.gz CXEBFVZFBVOABY-LSDHHAIUSA-N 1 3 300.491 2.088 20 0 DEADHO CCC[C@@H](C)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665638815 425611143 /nfs/dbraw/zinc/61/11/43/425611143.db2.gz CXEBFVZFBVOABY-LSDHHAIUSA-N 1 3 300.491 2.088 20 0 DEADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665557507 425596303 /nfs/dbraw/zinc/59/63/03/425596303.db2.gz XBXFAEGTFUBTQI-OAHLLOKOSA-N 1 3 312.502 2.088 20 0 DEADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665557507 425596307 /nfs/dbraw/zinc/59/63/07/425596307.db2.gz XBXFAEGTFUBTQI-OAHLLOKOSA-N 1 3 312.502 2.088 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000665557114 425596643 /nfs/dbraw/zinc/59/66/43/425596643.db2.gz MYAZPMKFAMKAAG-OAHLLOKOSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000665557114 425596645 /nfs/dbraw/zinc/59/66/45/425596645.db2.gz MYAZPMKFAMKAAG-OAHLLOKOSA-N 1 3 322.497 2.129 20 0 DEADHO CC[N@H+](C[C@H]1CCC2(CNC2)O1)[C@H](C)Cc1ccc(OC)cc1 ZINC000662249560 425602484 /nfs/dbraw/zinc/60/24/84/425602484.db2.gz XBUOKKSBLJKQCJ-CRAIPNDOSA-N 1 3 318.461 2.469 20 0 DEADHO CC[N@@H+](C[C@H]1CCC2(CNC2)O1)[C@H](C)Cc1ccc(OC)cc1 ZINC000662249560 425602486 /nfs/dbraw/zinc/60/24/86/425602486.db2.gz XBUOKKSBLJKQCJ-CRAIPNDOSA-N 1 3 318.461 2.469 20 0 DEADHO c1ccc([C@H]2CN(C[C@@H]3CCC4(C[NH2+]C4)O3)CCS2)cc1 ZINC000662254811 425602900 /nfs/dbraw/zinc/60/29/00/425602900.db2.gz MIBDOSDXFNJNEH-JKSUJKDBSA-N 1 3 304.459 2.298 20 0 DEADHO COc1ccccc1[C@@H]1CCCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258948 425604816 /nfs/dbraw/zinc/60/48/16/425604816.db2.gz YWCXQZPWENYJOB-HOCLYGCPSA-N 1 3 302.418 2.353 20 0 DEADHO Cn1cc(C[C@@H]2CC[N@H+](Cc3cccc4c3CCNC4)C2)cn1 ZINC000662262524 425605869 /nfs/dbraw/zinc/60/58/69/425605869.db2.gz HDQPGXZNMTXBRV-HNNXBMFYSA-N 1 3 310.445 2.130 20 0 DEADHO Cn1cc(C[C@@H]2CC[N@@H+](Cc3cccc4c3CCNC4)C2)cn1 ZINC000662262524 425605871 /nfs/dbraw/zinc/60/58/71/425605871.db2.gz HDQPGXZNMTXBRV-HNNXBMFYSA-N 1 3 310.445 2.130 20 0 DEADHO CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000659453254 425606666 /nfs/dbraw/zinc/60/66/66/425606666.db2.gz IDNZBSPFHBYEEN-DOTOQJQBSA-N 1 3 320.481 2.180 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)c2cccc3c2CNC3)CC1 ZINC000662418251 425646304 /nfs/dbraw/zinc/64/63/04/425646304.db2.gz OENXVPYXVWOUQD-UHFFFAOYSA-N 1 3 301.434 2.284 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3c(s2)CCNC3)C1 ZINC000662486937 425663726 /nfs/dbraw/zinc/66/37/26/425663726.db2.gz YNMPMQOQCNUKBG-ZDUSSCGKSA-N 1 3 321.490 2.198 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc3c(s2)CCNC3)C1 ZINC000662486937 425663731 /nfs/dbraw/zinc/66/37/31/425663731.db2.gz YNMPMQOQCNUKBG-ZDUSSCGKSA-N 1 3 321.490 2.198 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000662492474 425665597 /nfs/dbraw/zinc/66/55/97/425665597.db2.gz LLJGFRXIRSPXGZ-XIRDDKMYSA-N 1 3 303.450 2.154 20 0 DEADHO CC(C)[C@H]1CN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CCN1 ZINC000662515676 425671049 /nfs/dbraw/zinc/67/10/49/425671049.db2.gz QQRJHQCEQFJZNG-FUHWJXTLSA-N 1 3 315.461 2.135 20 0 DEADHO C[NH+](C)[C@@H]1CCCN(C(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662532552 425675606 /nfs/dbraw/zinc/67/56/06/425675606.db2.gz CLPUGBLFBSGXEU-NVXWUHKLSA-N 1 3 301.434 2.164 20 0 DEADHO C[NH+](C)[C@@H]1CCCN(C(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000662532554 425675896 /nfs/dbraw/zinc/67/58/96/425675896.db2.gz CLPUGBLFBSGXEU-WBVHZDCISA-N 1 3 301.434 2.164 20 0 DEADHO CC(C)N(C(=O)CN1CCC([C@H]2CCC[NH2+]C2)CC1)C(C)C ZINC000662290070 425614970 /nfs/dbraw/zinc/61/49/70/425614970.db2.gz HWZPKFOLNVVVII-KRWDZBQOSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](NC(=O)NCC1([NH3+])CCCC1)[C@@H](c1ccccc1)N(C)C ZINC000659492862 425615863 /nfs/dbraw/zinc/61/58/63/425615863.db2.gz RZQFGXAVBSLOAU-HOCLYGCPSA-N 1 3 318.465 2.249 20 0 DEADHO CN(C(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccccc1 ZINC000662292827 425615957 /nfs/dbraw/zinc/61/59/57/425615957.db2.gz AIXKLGKUZPPQTR-KRWDZBQOSA-N 1 3 315.461 2.361 20 0 DEADHO C[C@@H]1CCCCN1CCC[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000655682803 425626881 /nfs/dbraw/zinc/62/68/81/425626881.db2.gz KLEVVMWFADSGJZ-AEFFLSMTSA-N 1 3 309.498 2.094 20 0 DEADHO C[C@H](C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)CN1CCCCC1 ZINC000655696675 425632049 /nfs/dbraw/zinc/63/20/49/425632049.db2.gz IUFYJOINRANPIV-IEBWSBKVSA-N 1 3 323.525 2.341 20 0 DEADHO CN(CC[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)C1CCCC1 ZINC000655713124 425634313 /nfs/dbraw/zinc/63/43/13/425634313.db2.gz VXDBGBCIJGEOPU-SFHVURJKSA-N 1 3 309.498 2.094 20 0 DEADHO CC[C@H]1CCCCN1CC[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000655712899 425634616 /nfs/dbraw/zinc/63/46/16/425634616.db2.gz UOPYJXIFXFVPMG-ZWKOTPCHSA-N 1 3 309.498 2.094 20 0 DEADHO CCCN1CC[C@H](NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000659610296 425636133 /nfs/dbraw/zinc/63/61/33/425636133.db2.gz NTNVFIMGJRLUMT-IKGGRYGDSA-N 1 3 322.497 2.034 20 0 DEADHO C1CCC(N2CCC([NH2+]C3CCN([C@@H]4CCOC4)CC3)CC2)C1 ZINC000655719363 425636766 /nfs/dbraw/zinc/63/67/66/425636766.db2.gz RRIFMDCJZLHERD-LJQANCHMSA-N 1 3 321.509 2.236 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)CC[C@H]1C ZINC000665760095 425639963 /nfs/dbraw/zinc/63/99/63/425639963.db2.gz ZEAGCBLDTCEVIK-HRCADAONSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)CC[C@H]1C ZINC000665760095 425639968 /nfs/dbraw/zinc/63/99/68/425639968.db2.gz ZEAGCBLDTCEVIK-HRCADAONSA-N 1 3 312.502 2.088 20 0 DEADHO O=C(c1cccc2c1CNC2)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662586236 425686403 /nfs/dbraw/zinc/68/64/03/425686403.db2.gz HGSFBTUWLIDPRM-HNNXBMFYSA-N 1 3 313.445 2.142 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662589285 425687810 /nfs/dbraw/zinc/68/78/10/425687810.db2.gz HSIXBAQFZGPEBL-DLBZAZTESA-N 1 3 307.482 2.099 20 0 DEADHO [NH3+]C[C@H](NC(=O)N[C@H]1CCCN2CCCC[C@@H]12)C1CCCCC1 ZINC000655964424 425695635 /nfs/dbraw/zinc/69/56/35/425695635.db2.gz SXYPHCUEHYUOSC-ULQDDVLXSA-N 1 3 322.497 2.210 20 0 DEADHO CC[C@H](NC)C(=O)Nc1ccccc1OCC[NH+](CC)CC ZINC000662673753 425709279 /nfs/dbraw/zinc/70/92/79/425709279.db2.gz QXYQBNBVESPLPV-AWEZNQCLSA-N 1 3 307.438 2.344 20 0 DEADHO C[NH+](C)[C@@H](CNC(=O)C1(NC2CC2)CCC1)C1CCCCC1 ZINC000662678290 425710501 /nfs/dbraw/zinc/71/05/01/425710501.db2.gz DFHNODJTVGFERA-INIZCTEOSA-N 1 3 307.482 2.288 20 0 DEADHO C[C@H](CC(=O)N[C@@H]1CCCN2CCCC[C@H]12)[C@@H]1CCC[NH2+]C1 ZINC000662837222 425744445 /nfs/dbraw/zinc/74/44/45/425744445.db2.gz HJPAPYOUVQMUHR-QBPKDAKJSA-N 1 3 307.482 2.145 20 0 DEADHO CC[NH+](CC)CCCCNC(=O)C[C@H]1NCc2ccccc21 ZINC000662681730 425711953 /nfs/dbraw/zinc/71/19/53/425711953.db2.gz CJMYEUUZYRVVGK-QGZVFWFLSA-N 1 3 303.450 2.459 20 0 DEADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000662694870 425713509 /nfs/dbraw/zinc/71/35/09/425713509.db2.gz UWYJBTKZBSQPDZ-WMLDXEAASA-N 1 3 321.440 2.105 20 0 DEADHO C[NH+](C)CCN(C(=O)c1cc(C(C)(C)N)no1)c1ccccc1 ZINC000662697858 425716430 /nfs/dbraw/zinc/71/64/30/425716430.db2.gz DJGHTQMJGBFRJH-UHFFFAOYSA-N 1 3 316.405 2.077 20 0 DEADHO C[C@H](CC(=O)N[C@@H]1CCCN2CCCC[C@@H]12)[C@H]1CCC[NH2+]C1 ZINC000662837223 425744632 /nfs/dbraw/zinc/74/46/32/425744632.db2.gz HJPAPYOUVQMUHR-TWMKSMIVSA-N 1 3 307.482 2.145 20 0 DEADHO O=C(NCCCCC[NH+]1CCCCC1)C1(NC2CC2)CCC1 ZINC000662729348 425723890 /nfs/dbraw/zinc/72/38/90/425723890.db2.gz ONJSTAXHHIMQRE-UHFFFAOYSA-N 1 3 307.482 2.434 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc3c2CNC3)C[C@H]1C ZINC000662743551 425726986 /nfs/dbraw/zinc/72/69/86/425726986.db2.gz PAFKDPQJHDCGEL-HIFRSBDPSA-N 1 3 301.434 2.235 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc3c2CNC3)C[C@H]1C ZINC000662743551 425726989 /nfs/dbraw/zinc/72/69/89/425726989.db2.gz PAFKDPQJHDCGEL-HIFRSBDPSA-N 1 3 301.434 2.235 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2[NH2+]CCC2(C)C)CN1Cc1ccccc1 ZINC000662748405 425727612 /nfs/dbraw/zinc/72/76/12/425727612.db2.gz SMIOFTNLKWOPPN-OIISXLGYSA-N 1 3 315.461 2.154 20 0 DEADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cccc2c1CNC2 ZINC000662746052 425727802 /nfs/dbraw/zinc/72/78/02/425727802.db2.gz QOUFMPAZZDHLNL-OAHLLOKOSA-N 1 3 301.434 2.236 20 0 DEADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cccc2c1CNC2 ZINC000662746052 425727803 /nfs/dbraw/zinc/72/78/03/425727803.db2.gz QOUFMPAZZDHLNL-OAHLLOKOSA-N 1 3 301.434 2.236 20 0 DEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc3c2CNC3)[C@H](C)C1 ZINC000662745326 425729109 /nfs/dbraw/zinc/72/91/09/425729109.db2.gz KLHYWFCGECDCTQ-CXAGYDPISA-N 1 3 301.434 2.092 20 0 DEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc3c2CNC3)[C@H](C)C1 ZINC000662745326 425729111 /nfs/dbraw/zinc/72/91/11/425729111.db2.gz KLHYWFCGECDCTQ-CXAGYDPISA-N 1 3 301.434 2.092 20 0 DEADHO c1c(C2CC[NH2+]CC2)nnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000656455433 425773592 /nfs/dbraw/zinc/77/35/92/425773592.db2.gz HEOGQRNOZCJMHO-KRWDZBQOSA-N 1 3 311.433 2.192 20 0 DEADHO C[C@@H]1CCCCN1CCNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000656538898 425788277 /nfs/dbraw/zinc/78/82/77/425788277.db2.gz JYRHTFHGVXMPOA-HUUCEWRRSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1CCCCN1CCNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000656538898 425788280 /nfs/dbraw/zinc/78/82/80/425788280.db2.gz JYRHTFHGVXMPOA-HUUCEWRRSA-N 1 3 310.486 2.033 20 0 DEADHO CCN(C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCN(C)C1 ZINC000666658725 425797275 /nfs/dbraw/zinc/79/72/75/425797275.db2.gz LJTPVGCQLMOKIP-RDJZCZTQSA-N 1 3 322.497 2.129 20 0 DEADHO CCN(C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCN(C)C1 ZINC000666658725 425797280 /nfs/dbraw/zinc/79/72/80/425797280.db2.gz LJTPVGCQLMOKIP-RDJZCZTQSA-N 1 3 322.497 2.129 20 0 DEADHO C[NH+](C)CCCC1CCN([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)CC1 ZINC000660158995 425755720 /nfs/dbraw/zinc/75/57/20/425755720.db2.gz QOBAKYSOGDHTFN-RCCFBDPRSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H]1CN1CCC[C@@H](N2CCOCC2)CC1 ZINC000660476440 425819980 /nfs/dbraw/zinc/81/99/80/425819980.db2.gz YNEPUDOZCSCTOE-MOPGFXCFSA-N 1 3 323.525 2.436 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H]1CN1CCC[C@@H](N2CCOCC2)CC1 ZINC000660476440 425819981 /nfs/dbraw/zinc/81/99/81/425819981.db2.gz YNEPUDOZCSCTOE-MOPGFXCFSA-N 1 3 323.525 2.436 20 0 DEADHO N[C@H](CC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000237872674 268604770 /nfs/dbraw/zinc/60/47/70/268604770.db2.gz XPPQGLAQQFKSNG-ZWKOTPCHSA-N 1 3 315.461 2.457 20 0 DEADHO N[C@H](CC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000237872674 268604772 /nfs/dbraw/zinc/60/47/72/268604772.db2.gz XPPQGLAQQFKSNG-ZWKOTPCHSA-N 1 3 315.461 2.457 20 0 DEADHO C[C@H](NC(=O)NCCN(C)C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358119029 269041109 /nfs/dbraw/zinc/04/11/09/269041109.db2.gz VSNBEMNZMSUWKE-LSDHHAIUSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](NC(=O)NCCN(C)C1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358119029 269041112 /nfs/dbraw/zinc/04/11/12/269041112.db2.gz VSNBEMNZMSUWKE-LSDHHAIUSA-N 1 3 322.497 2.033 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCCC3(C)C)CC2)CC1 ZINC000363708706 269071967 /nfs/dbraw/zinc/07/19/67/269071967.db2.gz AUMDFHQEPOYSCD-QGZVFWFLSA-N 1 3 321.509 2.488 20 0 DEADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)CC2CC[NH2+]CC2)C1 ZINC000370765290 269082702 /nfs/dbraw/zinc/08/27/02/269082702.db2.gz BWKWYARLTZIHJM-GOSISDBHSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@@H](CNC(=O)[C@@H]1[NH2+]CCCC1(C)C)N(C)Cc1ccccc1 ZINC000390725906 269097701 /nfs/dbraw/zinc/09/77/01/269097701.db2.gz RCGFQAFHKJREFD-RDJZCZTQSA-N 1 3 317.477 2.401 20 0 DEADHO C[C@@H]1C[C@@H](C)N(CCC(=O)Nc2cccc(F)c2)C[C@H]1C[NH3+] ZINC000397433973 269105841 /nfs/dbraw/zinc/10/58/41/269105841.db2.gz BDCHTQWDWGWLFC-MGPQQGTHSA-N 1 3 307.413 2.460 20 0 DEADHO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2cccc(F)c2)C[C@H]1CN ZINC000397433973 269105842 /nfs/dbraw/zinc/10/58/42/269105842.db2.gz BDCHTQWDWGWLFC-MGPQQGTHSA-N 1 3 307.413 2.460 20 0 DEADHO C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2cccc(F)c2)C[C@H]1CN ZINC000397433973 269105844 /nfs/dbraw/zinc/10/58/44/269105844.db2.gz BDCHTQWDWGWLFC-MGPQQGTHSA-N 1 3 307.413 2.460 20 0 DEADHO O=C(NCCCCC[NH2+][C@H]1CCNC1)OCc1ccccc1 ZINC000397932917 269107412 /nfs/dbraw/zinc/10/74/12/269107412.db2.gz QMYZBBUTPPDLEF-INIZCTEOSA-N 1 3 305.422 2.035 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000398135713 269108544 /nfs/dbraw/zinc/10/85/44/269108544.db2.gz KYRYFLFIORZZJJ-SUMDDJOVSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1CCCN1C1CC1 ZINC000494277822 269148755 /nfs/dbraw/zinc/14/87/55/269148755.db2.gz UXYMNXCYEMPZMR-NVXWUHKLSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCCN1C1CC1 ZINC000494277822 269148756 /nfs/dbraw/zinc/14/87/56/269148756.db2.gz UXYMNXCYEMPZMR-NVXWUHKLSA-N 1 3 307.482 2.384 20 0 DEADHO [NH3+][C@@H](CNC1CCN(C(=O)OCc2ccccc2)CC1)C1CC1 ZINC000496461313 269220334 /nfs/dbraw/zinc/22/03/34/269220334.db2.gz NMMSQSUXFYCGJY-KRWDZBQOSA-N 1 3 317.433 2.115 20 0 DEADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CC3(CN)CC3)C[C@@H]2C1 ZINC000497228592 269295086 /nfs/dbraw/zinc/29/50/86/269295086.db2.gz AJPSEEHZOGWCBN-RRFJBIMHSA-N 1 3 323.481 2.351 20 0 DEADHO CC(C)CC[C@H](O)CNC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000515166577 269345506 /nfs/dbraw/zinc/34/55/06/269345506.db2.gz VPYAYTPLIZIICM-RCCFBDPRSA-N 1 3 312.498 2.141 20 0 DEADHO CC(C)CC[C@H](O)CNC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000515166574 269345937 /nfs/dbraw/zinc/34/59/37/269345937.db2.gz VPYAYTPLIZIICM-BZSNNMDCSA-N 1 3 312.498 2.141 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000515299196 269348546 /nfs/dbraw/zinc/34/85/46/269348546.db2.gz QWETVAFFYXTJGX-JKSUJKDBSA-N 1 3 324.513 2.458 20 0 DEADHO COC[C@H](CCO)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269053750 274048511 /nfs/dbraw/zinc/04/85/11/274048511.db2.gz YLJDOXJHPXPSMK-JQHSSLGASA-N 1 3 306.450 2.027 20 0 DEADHO COC[C@H](CCO)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269053750 274048512 /nfs/dbraw/zinc/04/85/12/274048512.db2.gz YLJDOXJHPXPSMK-JQHSSLGASA-N 1 3 306.450 2.027 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N2C[C@H](N)Cc3ccccc32)CC1 ZINC000424085829 275625974 /nfs/dbraw/zinc/62/59/74/275625974.db2.gz YQCUFYVRLFIDPS-MRXNPFEDSA-N 1 3 301.434 2.023 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000349076630 276010289 /nfs/dbraw/zinc/01/02/89/276010289.db2.gz DCIZLNLMCGAVIG-DLBZAZTESA-N 1 3 303.450 2.280 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000349076630 276010291 /nfs/dbraw/zinc/01/02/91/276010291.db2.gz DCIZLNLMCGAVIG-DLBZAZTESA-N 1 3 303.450 2.280 20 0 DEADHO CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@H](C)CCN2)c1 ZINC000423364032 276076007 /nfs/dbraw/zinc/07/60/07/276076007.db2.gz YWJSCFYDXWXVCK-PBHICJAKSA-N 1 3 303.450 2.143 20 0 DEADHO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@H](C)CCN2)c1 ZINC000423364032 276076008 /nfs/dbraw/zinc/07/60/08/276076008.db2.gz YWJSCFYDXWXVCK-PBHICJAKSA-N 1 3 303.450 2.143 20 0 DEADHO CC[NH+](CC)C[C@H]1CCN(C(=O)C[C@H](N)c2ccccc2)C1 ZINC000119742190 276109193 /nfs/dbraw/zinc/10/91/93/276109193.db2.gz BQPPUTGBAPHWLL-WBVHZDCISA-N 1 3 303.450 2.267 20 0 DEADHO CCN(CCC[NH+](C)C)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000348147140 276122976 /nfs/dbraw/zinc/12/29/76/276122976.db2.gz OFHAJDNVIQESIM-GOSISDBHSA-N 1 3 317.477 2.451 20 0 DEADHO CCN1CCC(NC(=O)C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)CC1 ZINC000360199619 276150272 /nfs/dbraw/zinc/15/02/72/276150272.db2.gz MVXXRJRYEHMTJC-XIRDDKMYSA-N 1 3 307.482 2.097 20 0 DEADHO CCN1CCC(NC(=O)C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)CC1 ZINC000360199619 276150273 /nfs/dbraw/zinc/15/02/73/276150273.db2.gz MVXXRJRYEHMTJC-XIRDDKMYSA-N 1 3 307.482 2.097 20 0 DEADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000344778332 276206566 /nfs/dbraw/zinc/20/65/66/276206566.db2.gz RJDKUALAPHRCLL-GJZGRUSLSA-N 1 3 309.498 2.486 20 0 DEADHO CCC[C@@H](C)NC(=O)[C@@H](C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374163272 276269750 /nfs/dbraw/zinc/26/97/50/276269750.db2.gz PDGBBUQKCLJQGT-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CCOC(=O)c1csc(CC[NH2+][C@H]2CCCCC[C@H]2N)n1 ZINC000423065740 276303529 /nfs/dbraw/zinc/30/35/29/276303529.db2.gz BWPPDLXSSLNKPP-NEPJUHHUSA-N 1 3 311.451 2.112 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccoc1 ZINC000439936972 276370864 /nfs/dbraw/zinc/37/08/64/276370864.db2.gz BEPMLMRFNOOIQQ-QGZVFWFLSA-N 1 3 321.465 2.087 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccoc1 ZINC000439936972 276370866 /nfs/dbraw/zinc/37/08/66/276370866.db2.gz BEPMLMRFNOOIQQ-QGZVFWFLSA-N 1 3 321.465 2.087 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+](C)[C@H]2CCOC2)CC1 ZINC000132148789 276388731 /nfs/dbraw/zinc/38/87/31/276388731.db2.gz OGZTWICHWJYABX-KRWDZBQOSA-N 1 3 303.450 2.049 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+](C)[C@H]2CCOC2)CC1 ZINC000132148789 276388732 /nfs/dbraw/zinc/38/87/32/276388732.db2.gz OGZTWICHWJYABX-KRWDZBQOSA-N 1 3 303.450 2.049 20 0 DEADHO C[NH+]1CCC(C)(CNC(=O)[C@H]2CCCN2C2CCCC2)CC1 ZINC000356976704 277025268 /nfs/dbraw/zinc/02/52/68/277025268.db2.gz JBIUBSCLEMOCHI-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)(C)N1CCC([NH2+][C@H]2CCCc3c2cnn3CCO)CC1 ZINC000370677708 277152652 /nfs/dbraw/zinc/15/26/52/277152652.db2.gz YYYOVFXJKPERTA-INIZCTEOSA-N 1 3 320.481 2.105 20 0 DEADHO C[C@@H](C(=O)N1CCC(C)CC1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420332594 277540186 /nfs/dbraw/zinc/54/01/86/277540186.db2.gz DHQKYIJKDQJNBD-RDJZCZTQSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1C[C@H](C)[N@H+](CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000475028964 278006160 /nfs/dbraw/zinc/00/61/60/278006160.db2.gz CWWUYMGMFXAXJK-VYDXJSESSA-N 1 3 303.450 2.136 20 0 DEADHO C[C@@H]1C[C@H](C)[N@@H+](CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000475028964 278006161 /nfs/dbraw/zinc/00/61/61/278006161.db2.gz CWWUYMGMFXAXJK-VYDXJSESSA-N 1 3 303.450 2.136 20 0 DEADHO C[C@H](CNCc1c(Cl)cccc1N1CCN(C)CC1)[NH+](C)C ZINC000271370203 278208030 /nfs/dbraw/zinc/20/80/30/278208030.db2.gz JNFSOQNAIPQCHK-CQSZACIVSA-N 1 3 324.900 2.132 20 0 DEADHO C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000287229910 278228889 /nfs/dbraw/zinc/22/88/89/278228889.db2.gz NWPDFEPXRBEXFI-BBRMVZONSA-N 1 3 324.444 2.068 20 0 DEADHO C[C@@H]([NH3+])[C@H](C)C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000192122341 278314744 /nfs/dbraw/zinc/31/47/44/278314744.db2.gz IEYGXNMWXYGFNC-HRCADAONSA-N 1 3 303.450 2.093 20 0 DEADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(CC(N)=O)CC2)CC1 ZINC000421347129 278335258 /nfs/dbraw/zinc/33/52/58/278335258.db2.gz BHNVYBYLXWIJEZ-HOCLYGCPSA-N 1 3 307.482 2.275 20 0 DEADHO C[C@H]1CCCC[C@@H]1N1CCC([NH2+]CC2(CC(N)=O)CC2)CC1 ZINC000421347129 278335260 /nfs/dbraw/zinc/33/52/60/278335260.db2.gz BHNVYBYLXWIJEZ-HOCLYGCPSA-N 1 3 307.482 2.275 20 0 DEADHO CC[C@H](N[C@@H](C)C1C[NH2+]C1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000423012411 288058309 /nfs/dbraw/zinc/05/83/09/288058309.db2.gz KUTCRPLKJATEOQ-JCGIZDLHSA-N 1 3 313.449 2.152 20 0 DEADHO CC[C@H]([NH2+][C@@H](C)C1CNC1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000423012411 288058310 /nfs/dbraw/zinc/05/83/10/288058310.db2.gz KUTCRPLKJATEOQ-JCGIZDLHSA-N 1 3 313.449 2.152 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)C1 ZINC000246334099 279035283 /nfs/dbraw/zinc/03/52/83/279035283.db2.gz BSKDCLZXGGZKPL-ZACQAIPSSA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)C1 ZINC000246334099 279035284 /nfs/dbraw/zinc/03/52/84/279035284.db2.gz BSKDCLZXGGZKPL-ZACQAIPSSA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)C[C@H](C)N(C)C(=O)CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357084392 279098745 /nfs/dbraw/zinc/09/87/45/279098745.db2.gz QBPFWFGFZIULJY-RDJZCZTQSA-N 1 3 309.498 2.201 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000085361113 279281428 /nfs/dbraw/zinc/28/14/28/279281428.db2.gz WIKTUZSEYVFGDG-GJZGRUSLSA-N 1 3 312.502 2.136 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC[C@@H]1C ZINC000337885681 279302398 /nfs/dbraw/zinc/30/23/98/279302398.db2.gz VTXSCRWVQQUPMU-BBWFWOEESA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC[C@@H]1C ZINC000337885681 279302399 /nfs/dbraw/zinc/30/23/99/279302399.db2.gz VTXSCRWVQQUPMU-BBWFWOEESA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)O[C@@H]1C[C@H](N[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1(C)C ZINC000423052991 279699669 /nfs/dbraw/zinc/69/96/69/279699669.db2.gz RSTRFPTTZPDRAH-BPKGMFCQSA-N 1 3 310.482 2.325 20 0 DEADHO C[C@H]1C[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)CCN1C ZINC000341157617 280004520 /nfs/dbraw/zinc/00/45/20/280004520.db2.gz IBPUTQBBWIUHPF-DLBZAZTESA-N 1 3 324.513 2.425 20 0 DEADHO C[C@]1(c2ccccc2)CC[C@@H](N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000414771657 280173294 /nfs/dbraw/zinc/17/32/94/280173294.db2.gz PZLGOIIUEKTERX-AABGKKOBSA-N 1 3 313.489 2.476 20 0 DEADHO CC[C@H]1CCCC[C@@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414205337 288208159 /nfs/dbraw/zinc/20/81/59/288208159.db2.gz XKUVTDPCPGFFDO-ROUUACIJSA-N 1 3 323.525 2.341 20 0 DEADHO CC(C)[C@H](C)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000274656146 280209906 /nfs/dbraw/zinc/20/99/06/280209906.db2.gz ODQZJBMCJHJCFG-RDJZCZTQSA-N 1 3 305.466 2.382 20 0 DEADHO CC(C)[C@H](C)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000274656146 280209907 /nfs/dbraw/zinc/20/99/07/280209907.db2.gz ODQZJBMCJHJCFG-RDJZCZTQSA-N 1 3 305.466 2.382 20 0 DEADHO CC[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccn(C)n1 ZINC000349454658 280935435 /nfs/dbraw/zinc/93/54/35/280935435.db2.gz LONKJIXLAAFOQF-JYJNAYRXSA-N 1 3 308.470 2.350 20 0 DEADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000423763493 288356559 /nfs/dbraw/zinc/35/65/59/288356559.db2.gz RPQJEOJZVMNFJP-IAGOWNOFSA-N 1 3 321.440 2.104 20 0 DEADHO CN1CCC[C@@H](CNC(=O)/C=C\C[NH+](C)C)[C@H]1c1cccs1 ZINC000491913985 282023529 /nfs/dbraw/zinc/02/35/29/282023529.db2.gz MEKRASRDQYWQNB-FADYNMQLSA-N 1 3 321.490 2.365 20 0 DEADHO C[NH+](C)C1(CNC(=O)NC[C@@H]2CCCCN2C2CC2)CCCC1 ZINC000433901981 282035983 /nfs/dbraw/zinc/03/59/83/282035983.db2.gz VHGGMWCJTPPNCO-INIZCTEOSA-N 1 3 322.497 2.177 20 0 DEADHO CN(C)C1(C[NH2+]C2CCN(C3CC3)CC2)Cc2ccccc2C1 ZINC000298535267 282043621 /nfs/dbraw/zinc/04/36/21/282043621.db2.gz SMRGFLCENAJHEE-UHFFFAOYSA-N 1 3 313.489 2.302 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)CCCN1C ZINC000343790958 289055172 /nfs/dbraw/zinc/05/51/72/289055172.db2.gz IVDIZJLACIRJRW-CAOSSQGBSA-N 1 3 310.486 2.031 20 0 DEADHO C[C@@]1(C[NH2+]C2CCN(CCC(F)(F)F)CC2)CCCNC1 ZINC000414903571 289174352 /nfs/dbraw/zinc/17/43/52/289174352.db2.gz IPCNWWLIRGLHBW-CQSZACIVSA-N 1 3 307.404 2.383 20 0 DEADHO CN1C[C@@H]2CCCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@@H]2C1 ZINC000425670831 289177679 /nfs/dbraw/zinc/17/76/79/289177679.db2.gz GMKBDIZUHNZXRF-ARFHVFGLSA-N 1 3 324.513 2.088 20 0 DEADHO CN(C)C[C@H](NC(=O)[C@H]([NH3+])CC(F)F)c1ccc(Cl)cc1 ZINC000423771911 289208293 /nfs/dbraw/zinc/20/82/93/289208293.db2.gz KEVLFLMIVHXUDZ-NEPJUHHUSA-N 1 3 319.783 2.041 20 0 DEADHO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420323150 289247174 /nfs/dbraw/zinc/24/71/74/289247174.db2.gz FTRTZHKYNGARGI-IXDOHACOSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)N1CCCCCC1 ZINC000372768908 289275103 /nfs/dbraw/zinc/27/51/03/289275103.db2.gz MVELUWAXEYDHKX-BRWVUGGUSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H](C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)N1CCCCCC1 ZINC000372768908 289275106 /nfs/dbraw/zinc/27/51/06/289275106.db2.gz MVELUWAXEYDHKX-BRWVUGGUSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000359234836 290385678 /nfs/dbraw/zinc/38/56/78/290385678.db2.gz YQUZFHMLKXVCHP-JKSUJKDBSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000359234836 290385680 /nfs/dbraw/zinc/38/56/80/290385680.db2.gz YQUZFHMLKXVCHP-JKSUJKDBSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC(C)(C)[NH3+] ZINC000418413039 297032508 /nfs/dbraw/zinc/03/25/08/297032508.db2.gz IWHJHGQWWSFOAL-OAHLLOKOSA-N 1 3 318.465 2.030 20 0 DEADHO COc1ccc([C@@H]2CCNC[C@@H]2[NH2+][C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000423338368 295225184 /nfs/dbraw/zinc/22/51/84/295225184.db2.gz RLCJHCGKFUVTFJ-XIVBQZFQSA-N 1 3 317.477 2.213 20 0 DEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000423058358 295251007 /nfs/dbraw/zinc/25/10/07/295251007.db2.gz BWPNOULBFOQYJD-UONOGXRCSA-N 1 3 307.404 2.368 20 0 DEADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCN(C(=O)C1CCC1)C1CC1 ZINC000422957331 295268340 /nfs/dbraw/zinc/26/83/40/295268340.db2.gz NIHSAZPQVRCLJN-NVXWUHKLSA-N 1 3 307.482 2.275 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000423439261 295330042 /nfs/dbraw/zinc/33/00/42/295330042.db2.gz HVIBJMTZDUPKNA-SJORKVTESA-N 1 3 307.482 2.275 20 0 DEADHO C[C@H](C1CC1)N(C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)C1CC1 ZINC000420323685 298249135 /nfs/dbraw/zinc/24/91/35/298249135.db2.gz GSUFORQNFREIBE-PVAVHDDUSA-N 1 3 319.493 2.097 20 0 DEADHO Cc1ccc(OC(F)F)c([C@@H](C)NCCN2CC[NH2+]CC2)c1 ZINC000423211132 301655197 /nfs/dbraw/zinc/65/51/97/301655197.db2.gz YBZJHSNKIBIZPD-CYBMUJFWSA-N 1 3 313.392 2.152 20 0 DEADHO [NH3+]CCCCNC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000418175260 303375493 /nfs/dbraw/zinc/37/54/93/303375493.db2.gz SMSXDWVENFHJRO-UHFFFAOYSA-N 1 3 310.486 2.071 20 0 DEADHO N[C@H](CC(F)F)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000345796909 303479262 /nfs/dbraw/zinc/47/92/62/303479262.db2.gz LMJKRPWLPRLUNU-UONOGXRCSA-N 1 3 317.424 2.084 20 0 DEADHO O=C(Nc1cccc2c1CCNC2)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000572594354 325953023 /nfs/dbraw/zinc/95/30/23/325953023.db2.gz GZXUWIROCHQRAK-FQEVSTJZSA-N 1 3 321.424 2.202 20 0 DEADHO N[C@@H]1CCC[C@@H]([NH2+]C2CCN(C(=O)NC3CCCCC3)CC2)C1 ZINC000576478798 326297214 /nfs/dbraw/zinc/29/72/14/326297214.db2.gz CGMVCPBMIFSPIS-RHSMWYFYSA-N 1 3 322.497 2.353 20 0 DEADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCC[NH2+]C1CCCCCC1 ZINC000576807986 326320309 /nfs/dbraw/zinc/32/03/09/326320309.db2.gz XLZNWKGYGRXGFN-YOEHRIQHSA-N 1 3 322.497 2.081 20 0 DEADHO C[C@H](CC[NH2+]C[C@H](O)COc1ccc(F)cc1)N1CCCCC1 ZINC000583020747 337225750 /nfs/dbraw/zinc/22/57/50/337225750.db2.gz WOEBKHSZQLPRIV-WBVHZDCISA-N 1 3 324.440 2.420 20 0 DEADHO C[C@H]1[NH2+]CC[C@H]1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000584527429 337356047 /nfs/dbraw/zinc/35/60/47/337356047.db2.gz LWSJCOQKBAMVDQ-CZUORRHYSA-N 1 3 321.490 2.074 20 0 DEADHO C[C@@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001376366484 1159364430 /nfs/dbraw/zinc/36/44/30/1159364430.db2.gz AGDKSLMDGOZCMH-RBSFLKMASA-N 1 3 313.461 2.236 20 0 DEADHO CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)NCc1ccns1 ZINC001378245499 1152249800 /nfs/dbraw/zinc/24/98/00/1152249800.db2.gz JRYNFPLILPNIEK-DZGCQCFKSA-N 1 3 324.494 2.000 20 0 DEADHO CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)NCc1ccns1 ZINC001378245499 1152249808 /nfs/dbraw/zinc/24/98/08/1152249808.db2.gz JRYNFPLILPNIEK-DZGCQCFKSA-N 1 3 324.494 2.000 20 0 DEADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccccc1C ZINC001378252692 1152254263 /nfs/dbraw/zinc/25/42/63/1152254263.db2.gz LSKMWISFACDDBB-QGZVFWFLSA-N 1 3 317.477 2.464 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001397092427 1159970826 /nfs/dbraw/zinc/97/08/26/1159970826.db2.gz MSGUYFYCNFXITD-VYUFMVKGSA-N 1 3 313.873 2.096 20 0 DEADHO CC[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CC1CC(C)C1 ZINC001378304247 1152285769 /nfs/dbraw/zinc/28/57/69/1152285769.db2.gz SYNYGWUKXCBFQK-UYSNPLJNSA-N 1 3 311.514 2.495 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001378436423 1152327825 /nfs/dbraw/zinc/32/78/25/1152327825.db2.gz DKJHRJZPASSRIQ-FPCVCCKLSA-N 1 3 315.477 2.338 20 0 DEADHO CC[C@@H](F)C[NH+]1CCC(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001378468250 1152340680 /nfs/dbraw/zinc/34/06/80/1152340680.db2.gz FAZJIQGVEFPGTD-CVEARBPZSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)C[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001377762395 1160810765 /nfs/dbraw/zinc/81/07/65/1160810765.db2.gz NXEMFUYHUXISHO-KRWDZBQOSA-N 1 3 309.498 2.155 20 0 DEADHO CC(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001377762395 1160810770 /nfs/dbraw/zinc/81/07/70/1160810770.db2.gz NXEMFUYHUXISHO-KRWDZBQOSA-N 1 3 309.498 2.155 20 0 DEADHO COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)N)cc1 ZINC000423016796 533788666 /nfs/dbraw/zinc/78/86/66/533788666.db2.gz UOPYQZWCHJBUCL-DFEHZGFQSA-N 1 3 306.450 2.216 20 0 DEADHO C[C@H](NC1CC1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000294742862 533799496 /nfs/dbraw/zinc/79/94/96/533799496.db2.gz JYBYAVQDWXVBQT-AWEZNQCLSA-N 1 3 301.434 2.039 20 0 DEADHO COc1cc(CN2CCC[C@@H](CC[NH3+])C2)cc2c1OCCO2 ZINC000442923643 533805144 /nfs/dbraw/zinc/80/51/44/533805144.db2.gz QWDFHAYGBRUVDI-ZDUSSCGKSA-N 1 3 306.406 2.027 20 0 DEADHO C[C@H](NCC1(N(C)C)Cc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422789054 533833230 /nfs/dbraw/zinc/83/32/30/533833230.db2.gz SYIZTMCVLJGHBI-YJBOKZPZSA-N 1 3 301.478 2.206 20 0 DEADHO C[C@@H]1C[C@H](C[NH3+])CN1CCC(=O)Nc1ccc(Cl)cc1F ZINC000442796708 533842748 /nfs/dbraw/zinc/84/27/48/533842748.db2.gz VYYHWPFFWODCOH-GHMZBOCLSA-N 1 3 313.804 2.477 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000418711013 533860974 /nfs/dbraw/zinc/86/09/74/533860974.db2.gz TUDPSEVRZCLUAY-CQSZACIVSA-N 1 3 324.444 2.026 20 0 DEADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@H](C)CC[NH+](C)C)o1 ZINC000299397286 533884781 /nfs/dbraw/zinc/88/47/81/533884781.db2.gz XGVMNCPFJDTNGG-CQSZACIVSA-N 1 3 324.469 2.001 20 0 DEADHO C[C@H](NC[C@H]1CC(=O)N(Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423015777 533902674 /nfs/dbraw/zinc/90/26/74/533902674.db2.gz RSFTVUDYLVKWBO-CGTJXYLNSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H](CNC(=O)NCC1([NH3+])CCCCC1)N1CCC(C)CC1 ZINC000417300724 533947198 /nfs/dbraw/zinc/94/71/98/533947198.db2.gz AVUQDFCHHNAWIF-HNNXBMFYSA-N 1 3 310.486 2.068 20 0 DEADHO COc1ccccc1C1(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])CCC1 ZINC000423029901 533999333 /nfs/dbraw/zinc/99/93/33/533999333.db2.gz ARRGWXPIVHLMRX-YQQAZPJKSA-N 1 3 318.461 2.459 20 0 DEADHO COc1ccccc1C1(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)N)CCC1 ZINC000423029901 533999341 /nfs/dbraw/zinc/99/93/41/533999341.db2.gz ARRGWXPIVHLMRX-YQQAZPJKSA-N 1 3 318.461 2.459 20 0 DEADHO COc1ccccc1C1(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000422847353 534000262 /nfs/dbraw/zinc/00/02/62/534000262.db2.gz RGWZUGDDKYRBCJ-IJEWVQPXSA-N 1 3 304.434 2.069 20 0 DEADHO COc1ccccc1C1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)N)CC1 ZINC000422847353 534000270 /nfs/dbraw/zinc/00/02/70/534000270.db2.gz RGWZUGDDKYRBCJ-IJEWVQPXSA-N 1 3 304.434 2.069 20 0 DEADHO COc1ccc(NC(=O)CCN2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1 ZINC000422635615 534070055 /nfs/dbraw/zinc/07/00/55/534070055.db2.gz LTFWIITYANLUGX-ILXRZTDVSA-N 1 3 319.449 2.329 20 0 DEADHO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](CN)[C@H](C)C[C@@H]2C)cc1 ZINC000422635615 534070060 /nfs/dbraw/zinc/07/00/60/534070060.db2.gz LTFWIITYANLUGX-ILXRZTDVSA-N 1 3 319.449 2.329 20 0 DEADHO COc1ccc(NC(=O)CC[N@H+]2C[C@H](CN)[C@H](C)C[C@@H]2C)cc1 ZINC000422635615 534070066 /nfs/dbraw/zinc/07/00/66/534070066.db2.gz LTFWIITYANLUGX-ILXRZTDVSA-N 1 3 319.449 2.329 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NCC(C)(C)[NH3+])CC1 ZINC000417690082 534103836 /nfs/dbraw/zinc/10/38/36/534103836.db2.gz LBHJDOZSYNVOFQ-AWEZNQCLSA-N 1 3 318.465 2.249 20 0 DEADHO Cc1cc(C)n2c(CN3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cnc2n1 ZINC000414773192 534126150 /nfs/dbraw/zinc/12/61/50/534126150.db2.gz DCRWAFOWERDCQQ-HZPDHXFCSA-N 1 3 313.449 2.168 20 0 DEADHO COC(=O)c1ccc(CNC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000298134190 534137981 /nfs/dbraw/zinc/13/79/81/534137981.db2.gz QFYOPPUQQJEJGO-UHFFFAOYSA-N 1 3 315.373 2.220 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2F)C1 ZINC001378867851 1152472889 /nfs/dbraw/zinc/47/28/89/1152472889.db2.gz PPEVGWVGSAZBPC-KOMQPUFPSA-N 1 3 321.440 2.152 20 0 DEADHO C[C@@H]1CN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@H](C)CN1 ZINC000417813478 534309298 /nfs/dbraw/zinc/30/92/98/534309298.db2.gz RGZPRNSEMJMPNL-HUUCEWRRSA-N 1 3 322.497 2.175 20 0 DEADHO CC(C)CN(CCN(C)C)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000339436157 519715687 /nfs/dbraw/zinc/71/56/87/519715687.db2.gz FGGJTUHPMHINDG-UHFFFAOYSA-N 1 3 314.518 2.334 20 0 DEADHO CCN1CCC(NC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000339519883 521575426 /nfs/dbraw/zinc/57/54/26/521575426.db2.gz VOGJHVGQIOFBFI-YJBOKZPZSA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000104136776 521596990 /nfs/dbraw/zinc/59/69/90/521596990.db2.gz LRBLFWMUNACROC-SFHVURJKSA-N 1 3 317.477 2.499 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000104136776 521596995 /nfs/dbraw/zinc/59/69/95/521596995.db2.gz LRBLFWMUNACROC-SFHVURJKSA-N 1 3 317.477 2.499 20 0 DEADHO COC[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)C(C)C ZINC000126725821 522361488 /nfs/dbraw/zinc/36/14/88/522361488.db2.gz ZCIHGERJRPICJS-LJQANCHMSA-N 1 3 319.493 2.195 20 0 DEADHO Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N ZINC000422757032 534684171 /nfs/dbraw/zinc/68/41/71/534684171.db2.gz MJHMZNLVIVVDBZ-CWRNSKLLSA-N 1 3 316.449 2.077 20 0 DEADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000154397488 523846941 /nfs/dbraw/zinc/84/69/41/523846941.db2.gz DQTFGROHWXFQJH-GJZGRUSLSA-N 1 3 303.454 2.346 20 0 DEADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000154397488 523846951 /nfs/dbraw/zinc/84/69/51/523846951.db2.gz DQTFGROHWXFQJH-GJZGRUSLSA-N 1 3 303.454 2.346 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000106530373 524226665 /nfs/dbraw/zinc/22/66/65/524226665.db2.gz BORYCGJTLQTLES-HZPDHXFCSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000106530373 524226674 /nfs/dbraw/zinc/22/66/74/524226674.db2.gz BORYCGJTLQTLES-HZPDHXFCSA-N 1 3 322.497 2.034 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000362077025 534903664 /nfs/dbraw/zinc/90/36/64/534903664.db2.gz IJKCFMHSJSQABT-IRXDYDNUSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000362077025 534903669 /nfs/dbraw/zinc/90/36/69/534903669.db2.gz IJKCFMHSJSQABT-IRXDYDNUSA-N 1 3 307.482 2.242 20 0 DEADHO O=C(N[C@@H]1CCC[NH2+]CC1)C1CCN(Cc2ccccc2)CC1 ZINC000364162672 526896966 /nfs/dbraw/zinc/89/69/66/526896966.db2.gz UKFLDWUUDBGJLK-GOSISDBHSA-N 1 3 315.461 2.157 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000418357389 527663289 /nfs/dbraw/zinc/66/32/89/527663289.db2.gz ZGQMWPSBCSMZDW-INIZCTEOSA-N 1 3 324.513 2.140 20 0 DEADHO CCN1CCO[C@@H](CN[C@@H](C)C[C@@H](C)[NH3+])[C@@H]1c1ccccc1 ZINC000423100331 527732499 /nfs/dbraw/zinc/73/24/99/527732499.db2.gz GREFQMRWZQPTCI-FZCLSBEQSA-N 1 3 305.466 2.164 20 0 DEADHO CCCN(C(=O)NC[C@H]1N(C)CCCC1(C)C)C1CC[NH2+]CC1 ZINC000418101779 527757834 /nfs/dbraw/zinc/75/78/34/527757834.db2.gz SHYMBIQCDLODAL-MRXNPFEDSA-N 1 3 324.513 2.280 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](N)c2ccccc2)C[C@H]1C ZINC000448228255 527821459 /nfs/dbraw/zinc/82/14/59/527821459.db2.gz DMUGACXNFOVWFD-PVAVHDDUSA-N 1 3 303.450 2.408 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H](N)c2ccccc2)C[C@H]1C ZINC000448228255 527821462 /nfs/dbraw/zinc/82/14/62/527821462.db2.gz DMUGACXNFOVWFD-PVAVHDDUSA-N 1 3 303.450 2.408 20 0 DEADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCN[C@@H](C)[C@H]2C)c1 ZINC000417404672 527842604 /nfs/dbraw/zinc/84/26/04/527842604.db2.gz OYJRZLLVLGCUOB-LSDHHAIUSA-N 1 3 318.465 2.030 20 0 DEADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCN[C@@H](C)[C@H]2C)c1 ZINC000417404672 527842609 /nfs/dbraw/zinc/84/26/09/527842609.db2.gz OYJRZLLVLGCUOB-LSDHHAIUSA-N 1 3 318.465 2.030 20 0 DEADHO CC1(CNC(=O)N2CCC[C@H]2CN2CCCCC2)CC[NH2+]CC1 ZINC000418520251 527948934 /nfs/dbraw/zinc/94/89/34/527948934.db2.gz PLKRNHPQKBWHOQ-INIZCTEOSA-N 1 3 322.497 2.036 20 0 DEADHO CC1(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000193395596 528029601 /nfs/dbraw/zinc/02/96/01/528029601.db2.gz KKJNFWUZULKQBI-KRWDZBQOSA-N 1 3 315.461 2.157 20 0 DEADHO CCN(CCC[NH+](CC)CC)C(=O)NC[C@@H](N)c1ccccc1 ZINC000418435018 528102727 /nfs/dbraw/zinc/10/27/27/528102727.db2.gz WEFMGOOEEPXFCL-QGZVFWFLSA-N 1 3 320.481 2.450 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)N[C@@H](C)CCC[NH3+])cc1 ZINC000418346919 528133352 /nfs/dbraw/zinc/13/33/52/528133352.db2.gz IFNCWDDCWBDHJT-BBRMVZONSA-N 1 3 306.454 2.236 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@@H](N)c1ccccc1 ZINC000418200352 528356476 /nfs/dbraw/zinc/35/64/76/528356476.db2.gz PWQHPHGIJAQSAI-GOEBONIOSA-N 1 3 306.454 2.106 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H](N)c1ccccc1 ZINC000418200352 528356481 /nfs/dbraw/zinc/35/64/81/528356481.db2.gz PWQHPHGIJAQSAI-GOEBONIOSA-N 1 3 306.454 2.106 20 0 DEADHO CC[NH2+][C@H](C)CNC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000418350188 528408804 /nfs/dbraw/zinc/40/88/04/528408804.db2.gz KZMVXJYMTGYSMC-CZUORRHYSA-N 1 3 306.454 2.107 20 0 DEADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NCC[C@H](C)[NH3+] ZINC000418041357 528439974 /nfs/dbraw/zinc/43/99/74/528439974.db2.gz XBIBZCDDTJZVIM-DOTOQJQBSA-N 1 3 320.481 2.180 20 0 DEADHO CCC[NH2+][C@@H](C)C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000294635017 528540197 /nfs/dbraw/zinc/54/01/97/528540197.db2.gz ASGMORYXZMIQTH-WMLDXEAASA-N 1 3 305.466 2.356 20 0 DEADHO CCN(Cc1ccc(C(=O)NC[C@H](C)C[NH2+]C)cc1)C1CC1 ZINC000429242333 528775269 /nfs/dbraw/zinc/77/52/69/528775269.db2.gz SBRSBVWADRWJPX-CQSZACIVSA-N 1 3 303.450 2.256 20 0 DEADHO CCN1CC[C@@H](NC(=O)c2ccc(C[N@H+](CC)C3CC3)cc2)C1 ZINC000412854199 528775537 /nfs/dbraw/zinc/77/55/37/528775537.db2.gz ZPPHCHCFYWQGGC-QGZVFWFLSA-N 1 3 315.461 2.495 20 0 DEADHO CCN1CC[C@@H](NC(=O)c2ccc(C[N@@H+](CC)C3CC3)cc2)C1 ZINC000412854199 528775543 /nfs/dbraw/zinc/77/55/43/528775543.db2.gz ZPPHCHCFYWQGGC-QGZVFWFLSA-N 1 3 315.461 2.495 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418408226 528778968 /nfs/dbraw/zinc/77/89/68/528778968.db2.gz UMMOJVYOLQOTGJ-QGZVFWFLSA-N 1 3 318.465 2.017 20 0 DEADHO CCCC[C@H](C[NH3+])NC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000418189814 528946933 /nfs/dbraw/zinc/94/69/33/528946933.db2.gz VTKBDIIAEKUBEE-OIISXLGYSA-N 1 3 320.481 2.495 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000417538626 529012869 /nfs/dbraw/zinc/01/28/69/529012869.db2.gz DHGOSBYFDTWCHR-DOTOQJQBSA-N 1 3 318.465 2.106 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000417538626 529012876 /nfs/dbraw/zinc/01/28/76/529012876.db2.gz DHGOSBYFDTWCHR-DOTOQJQBSA-N 1 3 318.465 2.106 20 0 DEADHO CC(C)N1CCc2nc(CN3CCC[C@H](CC[NH3+])C3)sc2C1 ZINC000442926378 529084614 /nfs/dbraw/zinc/08/46/14/529084614.db2.gz YPCFBMOKIQQHRO-CQSZACIVSA-N 1 3 322.522 2.470 20 0 DEADHO CCN1CCN(CCCC[NH2+][C@@H](C)C2(OC)CCCC2)CC1 ZINC000421822485 529143640 /nfs/dbraw/zinc/14/36/40/529143640.db2.gz XGVLERTVSQQZJX-KRWDZBQOSA-N 1 3 311.514 2.341 20 0 DEADHO CCN1CCN(CCC[NH2+]CCc2cccc(Cl)c2)CC1 ZINC000297585838 529145000 /nfs/dbraw/zinc/14/50/00/529145000.db2.gz IVGIJBPCRWRTJD-UHFFFAOYSA-N 1 3 309.885 2.500 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)c1ccco1 ZINC000418160994 529183000 /nfs/dbraw/zinc/18/30/00/529183000.db2.gz DWGAAOLYCVBAIO-GBJTYRQASA-N 1 3 322.453 2.149 20 0 DEADHO CC[C@@H](C(=O)Nc1ccc(OC)cc1)N1CCC[C@H](CC[NH3+])C1 ZINC000443069664 529291857 /nfs/dbraw/zinc/29/18/57/529291857.db2.gz KGHWULPFWLRPQD-PBHICJAKSA-N 1 3 319.449 2.473 20 0 DEADHO CC[C@@H](C)CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000422203417 529321716 /nfs/dbraw/zinc/32/17/16/529321716.db2.gz IIAUHWNXYVQMRE-HZPDHXFCSA-N 1 3 312.502 2.090 20 0 DEADHO CC[C@@H](C)CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000422203417 529321718 /nfs/dbraw/zinc/32/17/18/529321718.db2.gz IIAUHWNXYVQMRE-HZPDHXFCSA-N 1 3 312.502 2.090 20 0 DEADHO CC(C)[NH+]1CCC(NCCn2cc(Br)cn2)CC1 ZINC000311180677 535161023 /nfs/dbraw/zinc/16/10/23/535161023.db2.gz YLTGPGMOHXFCBV-UHFFFAOYSA-N 1 3 315.259 2.108 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000358145814 535230508 /nfs/dbraw/zinc/23/05/08/535230508.db2.gz TWCYPQPPJVTGPP-WBVHZDCISA-N 1 3 324.513 2.423 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000358145814 535230512 /nfs/dbraw/zinc/23/05/12/535230512.db2.gz TWCYPQPPJVTGPP-WBVHZDCISA-N 1 3 324.513 2.423 20 0 DEADHO CCN1CCCN(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000370721273 535511884 /nfs/dbraw/zinc/51/18/84/535511884.db2.gz GQECAVPJCQALON-QGZVFWFLSA-N 1 3 324.513 2.378 20 0 DEADHO CCN1CCCN(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000370721273 535511889 /nfs/dbraw/zinc/51/18/89/535511889.db2.gz GQECAVPJCQALON-QGZVFWFLSA-N 1 3 324.513 2.378 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCN(C2CC2)C1)CC(C)C ZINC000359220315 535660340 /nfs/dbraw/zinc/66/03/40/535660340.db2.gz GPBVOKPYYAIJRQ-NVXWUHKLSA-N 1 3 324.513 2.279 20 0 DEADHO CC[C@](C)(O)C[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000249293011 535845061 /nfs/dbraw/zinc/84/50/61/535845061.db2.gz AOUHDEPWAWATNL-BQFCYCMXSA-N 1 3 312.498 2.359 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000362763832 536042343 /nfs/dbraw/zinc/04/23/43/536042343.db2.gz WOQFEGWTIXJSFB-UHFFFAOYSA-N 1 3 303.450 2.162 20 0 DEADHO CN1CCC(NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CC1 ZINC000188183422 536340725 /nfs/dbraw/zinc/34/07/25/536340725.db2.gz FVHWEEOKWOQZNH-UHFFFAOYSA-N 1 3 324.513 2.425 20 0 DEADHO COc1cc(C)ccc1CNCCN1CCC([NH+](C)C)CC1 ZINC000449218723 536651846 /nfs/dbraw/zinc/65/18/46/536651846.db2.gz AKEGGSDWAXVRHY-UHFFFAOYSA-N 1 3 305.466 2.119 20 0 DEADHO COc1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000317243729 536842728 /nfs/dbraw/zinc/84/27/28/536842728.db2.gz MPCSRDHXAWUVLZ-HOTGVXAUSA-N 1 3 304.434 2.463 20 0 DEADHO COc1ccc(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000317243729 536842734 /nfs/dbraw/zinc/84/27/34/536842734.db2.gz MPCSRDHXAWUVLZ-HOTGVXAUSA-N 1 3 304.434 2.463 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001368784482 1148656805 /nfs/dbraw/zinc/65/68/05/1148656805.db2.gz JCTUDBKSDSWCRN-GJZGRUSLSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)CNCc1ccccc1F)[NH+](C)C ZINC001379423014 1152622818 /nfs/dbraw/zinc/62/28/18/1152622818.db2.gz WKENAIOQHAPJEK-CZUORRHYSA-N 1 3 309.429 2.006 20 0 DEADHO C[NH+](C)CC1CCC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825860834 607539518 /nfs/dbraw/zinc/53/95/18/607539518.db2.gz XYTWPYOCWQBIKM-UHFFFAOYSA-N 1 3 314.437 2.077 20 0 DEADHO C[NH+](C)CC1CCC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825860834 607539519 /nfs/dbraw/zinc/53/95/19/607539519.db2.gz XYTWPYOCWQBIKM-UHFFFAOYSA-N 1 3 314.437 2.077 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CCC3)[C@H]2C1 ZINC001379629096 1152657958 /nfs/dbraw/zinc/65/79/58/1152657958.db2.gz SHWYVFSVLREPHZ-OKZBNKHCSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCCC2)CC1 ZINC001380081364 1152747184 /nfs/dbraw/zinc/74/71/84/1152747184.db2.gz DTFQTRVSNHTDNH-INIZCTEOSA-N 1 3 307.482 2.288 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](CCF)C1CCCCCC1)N(C)C ZINC001380179496 1152762958 /nfs/dbraw/zinc/76/29/58/1152762958.db2.gz QADQMPLLIOVNPL-INIZCTEOSA-N 1 3 315.477 2.437 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](CCF)C1CCCCCC1)N(C)C ZINC001380179496 1152762960 /nfs/dbraw/zinc/76/29/60/1152762960.db2.gz QADQMPLLIOVNPL-INIZCTEOSA-N 1 3 315.477 2.437 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]C/C=C/Cl)C(C)(C)C1)N(C)C ZINC001369436047 1148984359 /nfs/dbraw/zinc/98/43/59/1148984359.db2.gz KPSAFLYVRUXDPG-NCRJZKAISA-N 1 3 315.889 2.152 20 0 DEADHO CC(C)CC[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC001369434753 1148985427 /nfs/dbraw/zinc/98/54/27/1148985427.db2.gz INTSSBZZKNVVQD-HNNXBMFYSA-N 1 3 309.498 2.343 20 0 DEADHO CCOC(=O)N1CCC([NH2+]CC[C@H](C)N2CCCCC2)CC1 ZINC001363411258 1153385154 /nfs/dbraw/zinc/38/51/54/1153385154.db2.gz MOXGMELBPNHIRG-HNNXBMFYSA-N 1 3 311.470 2.461 20 0 DEADHO CN(CCC[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C)CC(F)(F)F ZINC000925545943 625307114 /nfs/dbraw/zinc/30/71/14/625307114.db2.gz DPMXYEGSAGSQOG-AGIUHOORSA-N 1 3 307.404 2.237 20 0 DEADHO CN(CCCN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)CC(F)(F)F ZINC000925545943 625307116 /nfs/dbraw/zinc/30/71/16/625307116.db2.gz DPMXYEGSAGSQOG-AGIUHOORSA-N 1 3 307.404 2.237 20 0 DEADHO CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]12 ZINC001026425055 625449290 /nfs/dbraw/zinc/44/92/90/625449290.db2.gz BEYOJDIAONAHQP-KZNAEPCWSA-N 1 3 315.461 2.208 20 0 DEADHO C[C@H](C(=O)NC1CCC([NH2+]CCF)CC1)N1CCCCCC1 ZINC001026571677 625531915 /nfs/dbraw/zinc/53/19/15/625531915.db2.gz HBZSBWOCIPMKMF-QQFBHYJXSA-N 1 3 313.461 2.237 20 0 DEADHO CN(CC(=O)N1CCC[C@@H](C[NH2+]CC2CCC2)C1)C1CCC1 ZINC001024017946 625544601 /nfs/dbraw/zinc/54/46/01/625544601.db2.gz IZVPCWLGVCUMEG-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO COCC1(C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)CCOCC1 ZINC000925675350 625594886 /nfs/dbraw/zinc/59/48/86/625594886.db2.gz WEZHMWLEKHYWRC-IRXDYDNUSA-N 1 3 310.482 2.188 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCC(C)C)C1 ZINC000969792437 622922954 /nfs/dbraw/zinc/92/29/54/622922954.db2.gz JEXYPCVHZUEMBY-WBVHZDCISA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 ZINC001020586661 622927506 /nfs/dbraw/zinc/92/75/06/622927506.db2.gz VEXDUVRQFNSDBN-DJIMGWMZSA-N 1 3 307.482 2.288 20 0 DEADHO CC1(C)CC(C[NH2+][C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000969968976 623027421 /nfs/dbraw/zinc/02/74/21/623027421.db2.gz WMLHIGWWVMELSY-MRXNPFEDSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1)N(C)C ZINC000969985362 623038360 /nfs/dbraw/zinc/03/83/60/623038360.db2.gz FCCQDLCKXPYCQM-CVEARBPZSA-N 1 3 323.868 2.371 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC000970104110 623123167 /nfs/dbraw/zinc/12/31/67/623123167.db2.gz AFPCFEWRKRNVSY-QAPCUYQASA-N 1 3 324.428 2.220 20 0 DEADHO CN1CCC[C@@H]1C(=O)N[C@H]1CN(Cc2ccsc2)CC1(C)C ZINC000972859392 625635378 /nfs/dbraw/zinc/63/53/78/625635378.db2.gz IBNAGRORAASUFW-CABCVRRESA-N 1 3 321.490 2.169 20 0 DEADHO C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CN(Cc2ccsc2)CC1(C)C ZINC000972859392 625635380 /nfs/dbraw/zinc/63/53/80/625635380.db2.gz IBNAGRORAASUFW-CABCVRRESA-N 1 3 321.490 2.169 20 0 DEADHO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CN(Cc2ccsc2)CC1(C)C ZINC000972859392 625635382 /nfs/dbraw/zinc/63/53/82/625635382.db2.gz IBNAGRORAASUFW-CABCVRRESA-N 1 3 321.490 2.169 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001024155971 625641429 /nfs/dbraw/zinc/64/14/29/625641429.db2.gz GAMWZIPDFSIIQZ-RDJZCZTQSA-N 1 3 307.482 2.099 20 0 DEADHO O=C(CC[NH+]1CCCCC1)N1CC[C@@H](NCc2ccsc2)C1 ZINC000970792602 623683917 /nfs/dbraw/zinc/68/39/17/623683917.db2.gz PMJULIHKEDYKCL-MRXNPFEDSA-N 1 3 321.490 2.315 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1 ZINC001026726268 625689538 /nfs/dbraw/zinc/68/95/38/625689538.db2.gz UZCDUIGNBOODEL-QZTJIDSGSA-N 1 3 315.461 2.027 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001026735119 625700397 /nfs/dbraw/zinc/70/03/97/625700397.db2.gz YVXUWFJDYKADKU-ZWKOTPCHSA-N 1 3 321.509 2.489 20 0 DEADHO Cc1cc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cs1 ZINC001026734478 625703312 /nfs/dbraw/zinc/70/33/12/625703312.db2.gz OCTPCJOURQMKEG-GOEBONIOSA-N 1 3 321.490 2.089 20 0 DEADHO C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)C1(Br)CC1 ZINC000926286474 624651776 /nfs/dbraw/zinc/65/17/76/624651776.db2.gz FNJQZFHJGLLLLC-CHWSQXEVSA-N 1 3 319.287 2.393 20 0 DEADHO C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)C1(Br)CC1 ZINC000926286474 624651772 /nfs/dbraw/zinc/65/17/72/624651772.db2.gz FNJQZFHJGLLLLC-CHWSQXEVSA-N 1 3 319.287 2.393 20 0 DEADHO COc1cc(F)ccc1N1CCN(CC2CC[NH+](C)CC2)CC1 ZINC000892049033 624760712 /nfs/dbraw/zinc/76/07/12/624760712.db2.gz DMNWPBKNBHXRPU-UHFFFAOYSA-N 1 3 321.440 2.298 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001022712727 624865293 /nfs/dbraw/zinc/86/52/93/624865293.db2.gz XXELFEJJMPKDPC-XYPHTWIQSA-N 1 3 319.424 2.047 20 0 DEADHO CN1CCC(O)(C[NH2+]Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000893042490 625071088 /nfs/dbraw/zinc/07/10/88/625071088.db2.gz SAPHYUIGIFVYHF-UHFFFAOYSA-N 1 3 302.340 2.310 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC2CC2)C1 ZINC000972484268 625118605 /nfs/dbraw/zinc/11/86/05/625118605.db2.gz AYXVXLAHAYWGQP-IRXDYDNUSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC2CC2)C1 ZINC000972484268 625118608 /nfs/dbraw/zinc/11/86/08/625118608.db2.gz AYXVXLAHAYWGQP-IRXDYDNUSA-N 1 3 307.482 2.192 20 0 DEADHO C(C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)COC[C@H]1CCCO1 ZINC000925522479 625187188 /nfs/dbraw/zinc/18/71/88/625187188.db2.gz ZWERWIMWZZUWJM-KZNAEPCWSA-N 1 3 310.482 2.330 20 0 DEADHO CCC(CC)(C[NH3+])C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000236674217 625201912 /nfs/dbraw/zinc/20/19/12/625201912.db2.gz SKPMBKDRHLYUBM-MRXNPFEDSA-N 1 3 305.466 2.041 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001023365062 625239140 /nfs/dbraw/zinc/23/91/40/625239140.db2.gz WBKHPLZITALNHJ-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001023365062 625239143 /nfs/dbraw/zinc/23/91/43/625239143.db2.gz WBKHPLZITALNHJ-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CN(CC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CC3CCC3)[C@@H]2C1)C1CCC1 ZINC001026285202 625261842 /nfs/dbraw/zinc/26/18/42/625261842.db2.gz YCKFJHVZRBAKFE-CGTJXYLNSA-N 1 3 319.493 2.097 20 0 DEADHO C[C@@H]1[C@H](N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CCN1Cc1ccccc1 ZINC000328509569 625780664 /nfs/dbraw/zinc/78/06/64/625780664.db2.gz ANTLORDWEKYISN-WGGCKMBQSA-N 1 3 311.473 2.235 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)CC(C)C)C1 ZINC001027695243 634450862 /nfs/dbraw/zinc/45/08/62/634450862.db2.gz PFXZDSXSOJMFOM-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC(C)C)C1 ZINC001027695243 634450864 /nfs/dbraw/zinc/45/08/64/634450864.db2.gz PFXZDSXSOJMFOM-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCCF ZINC001024468137 625795038 /nfs/dbraw/zinc/79/50/38/625795038.db2.gz IPMHSAGYGLCOHF-CVEARBPZSA-N 1 3 313.461 2.191 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCCF ZINC001024468137 625795042 /nfs/dbraw/zinc/79/50/42/625795042.db2.gz IPMHSAGYGLCOHF-CVEARBPZSA-N 1 3 313.461 2.191 20 0 DEADHO CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1CC(C)C ZINC001024523004 625837063 /nfs/dbraw/zinc/83/70/63/625837063.db2.gz LTBUBPSZQYGJNY-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1CC(C)C ZINC001024523004 625837065 /nfs/dbraw/zinc/83/70/65/625837065.db2.gz LTBUBPSZQYGJNY-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CC3CCC3)C[C@H]2CC1 ZINC000946517187 634479378 /nfs/dbraw/zinc/47/93/78/634479378.db2.gz AZOOQVGJUZHVFT-FGTMMUONSA-N 1 3 319.493 2.051 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC3CCC3)C[C@H]2CC1 ZINC000946517187 634479385 /nfs/dbraw/zinc/47/93/85/634479385.db2.gz AZOOQVGJUZHVFT-FGTMMUONSA-N 1 3 319.493 2.051 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]Cc3ccsc3)C2)CCC1 ZINC000999350893 634569459 /nfs/dbraw/zinc/56/94/59/634569459.db2.gz CIEFXDGTAYTJRV-OAHLLOKOSA-N 1 3 321.490 2.313 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CC2CCCCC2)C1)C1CC1 ZINC000999372027 634578477 /nfs/dbraw/zinc/57/84/77/634578477.db2.gz NVPNBABFDJDVGG-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@H](NCCF)C1 ZINC000999556551 634627947 /nfs/dbraw/zinc/62/79/47/634627947.db2.gz JQYVDSWNABUUAX-AWEZNQCLSA-N 1 3 313.461 2.190 20 0 DEADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@H](NCCF)C1 ZINC000999556551 634627956 /nfs/dbraw/zinc/62/79/56/634627956.db2.gz JQYVDSWNABUUAX-AWEZNQCLSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC000995806288 633118963 /nfs/dbraw/zinc/11/89/63/633118963.db2.gz WCTKUTZBDGVIJE-HOTGVXAUSA-N 1 3 307.482 2.096 20 0 DEADHO CC(C)[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC1(C)C ZINC000995821840 633123441 /nfs/dbraw/zinc/12/34/41/633123441.db2.gz KFMJQNQOYTXFSY-OAHLLOKOSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@H](NCCF)C(C)(C)C1 ZINC000995913818 633142136 /nfs/dbraw/zinc/14/21/36/633142136.db2.gz BTXQDNKFGAXLDS-CABCVRRESA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@H](NCCF)C(C)(C)C1 ZINC000995913818 633142137 /nfs/dbraw/zinc/14/21/37/633142137.db2.gz BTXQDNKFGAXLDS-CABCVRRESA-N 1 3 313.461 2.045 20 0 DEADHO CC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1(C)C ZINC000996300020 633232076 /nfs/dbraw/zinc/23/20/76/633232076.db2.gz IHXYMMDHPMNHQM-CXAGYDPISA-N 1 3 313.461 2.045 20 0 DEADHO C[C@H]1CCN(CC(=O)N2C[C@@H]([NH2+]CC3CCCC3)C(C)(C)C2)C1 ZINC000996302109 633232953 /nfs/dbraw/zinc/23/29/53/633232953.db2.gz WANGNSKMTADICT-DOTOQJQBSA-N 1 3 321.509 2.345 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+]Cc3ccsc3)C2)CCC1 ZINC001026885703 633241973 /nfs/dbraw/zinc/24/19/73/633241973.db2.gz MBLNYJWGNJUBLI-CQSZACIVSA-N 1 3 321.490 2.171 20 0 DEADHO CN(CC(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)C1)C1CCC1 ZINC001026891462 633244346 /nfs/dbraw/zinc/24/43/46/633244346.db2.gz VFJUGBRSPVPROF-QGZVFWFLSA-N 1 3 319.493 2.409 20 0 DEADHO CN(CC(=O)N1CC[C@H](C[NH2+]Cc2ccccc2)C1)C1CCC1 ZINC001026891522 633244538 /nfs/dbraw/zinc/24/45/38/633244538.db2.gz XHTZKIICGQQGFG-QGZVFWFLSA-N 1 3 315.461 2.109 20 0 DEADHO CCC[NH2+][C@H]1CN(C(=O)[C@@H](C)N2CCCCCC2)CC1(C)C ZINC000996373222 633249345 /nfs/dbraw/zinc/24/93/45/633249345.db2.gz JGMJLSKXWRDABW-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]CC2CCCC2)CC1)N(C)C ZINC000996694743 633351167 /nfs/dbraw/zinc/35/11/67/633351167.db2.gz ZFWRVANATHBOSS-KRWDZBQOSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)N1CCC([NH2+]CC2CCCCC2)CC1)N(C)C ZINC000996711851 633365525 /nfs/dbraw/zinc/36/55/25/633365525.db2.gz LSGOYDRAOUAPEI-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)N1CCC([NH2+]CC2CC3(CCC3)C2)CC1)N(C)C ZINC000997014842 633561744 /nfs/dbraw/zinc/56/17/44/633561744.db2.gz LLARSDDZXNRCMO-KRWDZBQOSA-N 1 3 321.509 2.488 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]CCC2CCCC2)CC1 ZINC000997034777 633562799 /nfs/dbraw/zinc/56/27/99/633562799.db2.gz FRHSJPFSIWNULV-UHFFFAOYSA-N 1 3 304.438 2.113 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+][C@H]2CCc3ccccc32)CC1 ZINC000997039574 633563125 /nfs/dbraw/zinc/56/31/25/633563125.db2.gz DLPOIVVLQKQNIC-SFHVURJKSA-N 1 3 324.428 2.220 20 0 DEADHO Cc1ccccc1C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000997042538 633563428 /nfs/dbraw/zinc/56/34/28/633563428.db2.gz QREUPVTZHUXQNH-UHFFFAOYSA-N 1 3 312.417 2.041 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]CC2CCC2)CC1 ZINC000997366359 633716312 /nfs/dbraw/zinc/71/63/12/633716312.db2.gz DGZOAKLLABYYSS-KRWDZBQOSA-N 1 3 307.482 2.242 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC2CC(C)(C)C2)CC1 ZINC000997615375 633900350 /nfs/dbraw/zinc/90/03/50/633900350.db2.gz UXMRNVYFXMCGLR-KRWDZBQOSA-N 1 3 321.509 2.345 20 0 DEADHO C[N@H+](CC1=CCCCC1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980409433 634991113 /nfs/dbraw/zinc/99/11/13/634991113.db2.gz SSZBTIZPKFQPSH-KRWDZBQOSA-N 1 3 305.466 2.115 20 0 DEADHO C[N@@H+](CC1=CCCCC1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980409433 634991117 /nfs/dbraw/zinc/99/11/17/634991117.db2.gz SSZBTIZPKFQPSH-KRWDZBQOSA-N 1 3 305.466 2.115 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000837189070 650172951 /nfs/dbraw/zinc/17/29/51/650172951.db2.gz HKFNDAVCNFLGJB-YOEHRIQHSA-N 1 3 313.461 2.140 20 0 DEADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000837189070 650172952 /nfs/dbraw/zinc/17/29/52/650172952.db2.gz HKFNDAVCNFLGJB-YOEHRIQHSA-N 1 3 313.461 2.140 20 0 DEADHO C[C@@H]1C[C@@H](C[NH2+]CC2CCC2)CN1C(=O)CN1CCC(C)CC1 ZINC000980739406 635117404 /nfs/dbraw/zinc/11/74/04/635117404.db2.gz QKIIIDDVNQKXTQ-AEFFLSMTSA-N 1 3 321.509 2.345 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](NCCF)C1 ZINC001000665474 635262945 /nfs/dbraw/zinc/26/29/45/635262945.db2.gz SODBUGKVZTWOPI-JKSUJKDBSA-N 1 3 313.461 2.191 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](NCCF)C1 ZINC001000665474 635262946 /nfs/dbraw/zinc/26/29/46/635262946.db2.gz SODBUGKVZTWOPI-JKSUJKDBSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCC1CC[NH+](CCCF)CC1 ZINC001001402947 635486757 /nfs/dbraw/zinc/48/67/57/635486757.db2.gz SYVSDBSMMKWOKU-MRXNPFEDSA-N 1 3 313.461 2.047 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)NCC1CC[NH+](CC)CC1 ZINC001002035916 635609496 /nfs/dbraw/zinc/60/94/96/635609496.db2.gz AJBZDWKGLYOKPM-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC000981992525 635797386 /nfs/dbraw/zinc/79/73/86/635797386.db2.gz XTVIDWURTDSRGC-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CCCC[N@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC000981992525 635797390 /nfs/dbraw/zinc/79/73/90/635797390.db2.gz XTVIDWURTDSRGC-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)(C(=O)NC1CC[NH+](CCCF)CC1)N1CCCCC1 ZINC001002816409 635809344 /nfs/dbraw/zinc/80/93/44/635809344.db2.gz YWMDIBBJPJRJSH-UHFFFAOYSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@H]2CCCN(C)C2)C1 ZINC000893769814 636033281 /nfs/dbraw/zinc/03/32/81/636033281.db2.gz AWUNVHNTESWAJX-SJORKVTESA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(C)[C@H]2CCCN(C)C2)C1 ZINC000893769814 636033283 /nfs/dbraw/zinc/03/32/83/636033283.db2.gz AWUNVHNTESWAJX-SJORKVTESA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001028333654 636134779 /nfs/dbraw/zinc/13/47/79/636134779.db2.gz NCSFRKHDWMZEIM-QGZVFWFLSA-N 1 3 303.450 2.351 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001028333654 636134781 /nfs/dbraw/zinc/13/47/81/636134781.db2.gz NCSFRKHDWMZEIM-QGZVFWFLSA-N 1 3 303.450 2.351 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC001004056002 636135235 /nfs/dbraw/zinc/13/52/35/636135235.db2.gz LZBSYXPFRWMMMH-UHFFFAOYSA-N 1 3 318.465 2.422 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3ccc(F)nc3)C2)[C@H]1C(C)C ZINC000922393459 636155557 /nfs/dbraw/zinc/15/55/57/636155557.db2.gz KSFGXZQQMLHWBV-JOCBIADPSA-N 1 3 321.440 2.180 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3ccc(F)nc3)C2)[C@H]1C(C)C ZINC000922393459 636155560 /nfs/dbraw/zinc/15/55/60/636155560.db2.gz KSFGXZQQMLHWBV-JOCBIADPSA-N 1 3 321.440 2.180 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001028579160 636369248 /nfs/dbraw/zinc/36/92/48/636369248.db2.gz BESVOHBEVJLWQG-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001028579160 636369252 /nfs/dbraw/zinc/36/92/52/636369252.db2.gz BESVOHBEVJLWQG-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO F[C@H]1CC2(CC[C@@H]1[NH2+]C1CC(N3CCCCC3)C1)OCCO2 ZINC000894170980 636381700 /nfs/dbraw/zinc/38/17/00/636381700.db2.gz CGJDGPQKGWSOMI-CKUJCDMFSA-N 1 3 312.429 2.227 20 0 DEADHO CCC(CC)(C[NH3+])NC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000841848375 636447795 /nfs/dbraw/zinc/44/77/95/636447795.db2.gz HWWKALFKOPLGML-GFCCVEGCSA-N 1 3 312.845 2.067 20 0 DEADHO CC[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CC2)CC1)N(C)C ZINC001004473865 636464159 /nfs/dbraw/zinc/46/41/59/636464159.db2.gz MTECXZQRIJNXTM-QZTJIDSGSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC2CC2)CC1)N(C)C ZINC001004473865 636464162 /nfs/dbraw/zinc/46/41/62/636464162.db2.gz MTECXZQRIJNXTM-QZTJIDSGSA-N 1 3 321.509 2.440 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)CC[C@@H]2C1 ZINC000946623346 636475399 /nfs/dbraw/zinc/47/53/99/636475399.db2.gz IRFOCFJYCLVJGG-CALCHBBNSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)CC[C@@H]2C1 ZINC000946623346 636475401 /nfs/dbraw/zinc/47/54/01/636475401.db2.gz IRFOCFJYCLVJGG-CALCHBBNSA-N 1 3 321.509 2.441 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCC)C1 ZINC001028918465 636852384 /nfs/dbraw/zinc/85/23/84/636852384.db2.gz IMVYBFMRWPDQQY-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCC)C1 ZINC001028918465 636852388 /nfs/dbraw/zinc/85/23/88/636852388.db2.gz IMVYBFMRWPDQQY-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO Cc1coc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000894459313 637050186 /nfs/dbraw/zinc/05/01/86/637050186.db2.gz KZQILHJRSDIYDM-UHFFFAOYSA-N 1 3 305.466 2.438 20 0 DEADHO CC(C)CC[NH+]1CCC(N(C)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001005999635 637064361 /nfs/dbraw/zinc/06/43/61/637064361.db2.gz BTJRVWQXYVRLCX-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[C@@](C)(C[NH3+])NC[C@H](O)COc1ccccc1Cl ZINC000923295650 637096632 /nfs/dbraw/zinc/09/66/32/637096632.db2.gz CWUXEOFUYYTTHF-SWLSCSKDSA-N 1 3 300.830 2.043 20 0 DEADHO C[C@](C[NH3+])(NC[C@@H](O)Cc1ccccc1C(F)(F)F)C1CC1 ZINC000923296458 637097639 /nfs/dbraw/zinc/09/76/39/637097639.db2.gz SFKWVPYFNJYJFB-DZGCQCFKSA-N 1 3 316.367 2.326 20 0 DEADHO CCN(C[C@@H](O)COc1cccc(C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000923334973 637121540 /nfs/dbraw/zinc/12/15/40/637121540.db2.gz HPYJQRHEHWXUDE-IAGOWNOFSA-N 1 3 306.450 2.199 20 0 DEADHO CCN(C[C@H](O)COc1ccccc1C)[C@@H]1CCC[NH2+]CC1 ZINC000923337275 637122824 /nfs/dbraw/zinc/12/28/24/637122824.db2.gz YDWXSRAZCREHHR-SJORKVTESA-N 1 3 306.450 2.199 20 0 DEADHO Cc1ccc(C)c(OC[C@@H](O)CN2CCCC[C@@H]2CC[NH3+])c1 ZINC000923352258 637133875 /nfs/dbraw/zinc/13/38/75/637133875.db2.gz CKYJRJXRKFZYDV-SJORKVTESA-N 1 3 306.450 2.246 20 0 DEADHO NCC(C[NH3+])NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000923359174 637134516 /nfs/dbraw/zinc/13/45/16/637134516.db2.gz NHBIRGQMSLZPQS-UHFFFAOYSA-N 1 3 315.261 2.100 20 0 DEADHO C[C@@H]1CCCN(C[C@H](O)COc2ccccc2F)[C@@H]1CC[NH3+] ZINC000923389364 637156019 /nfs/dbraw/zinc/15/60/19/637156019.db2.gz WUNVPJWYPPIYMC-IJEWVQPXSA-N 1 3 310.413 2.015 20 0 DEADHO C[C@@H]1CN(C[C@H](O)COc2cccc3ccccc32)C[C@H]1C[NH3+] ZINC000923412399 637166551 /nfs/dbraw/zinc/16/65/51/637166551.db2.gz VKLHATOTENTNDX-OIISXLGYSA-N 1 3 314.429 2.106 20 0 DEADHO COCCN(Cc1ccc(C)c(C)c1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923427851 637173090 /nfs/dbraw/zinc/17/30/90/637173090.db2.gz KRLQBAPORKNYQC-SFHVURJKSA-N 1 3 318.461 2.130 20 0 DEADHO Cc1ccc(CN2CCC3(CO[C@H](C[NH3+])C3)CC2)c(Cl)n1 ZINC000923451969 637189449 /nfs/dbraw/zinc/18/94/49/637189449.db2.gz OBFVKVOGOZLYIS-AWEZNQCLSA-N 1 3 309.841 2.373 20 0 DEADHO CCc1ccc([C@H](C)NC(=O)CN2CC[C@H](CC[NH3+])C2)cc1 ZINC000923487186 637201216 /nfs/dbraw/zinc/20/12/16/637201216.db2.gz AMORQIYRTUKOKE-HOCLYGCPSA-N 1 3 303.450 2.097 20 0 DEADHO [NH3+]CC[C@H]1CCN([C@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000923482504 637203881 /nfs/dbraw/zinc/20/38/81/637203881.db2.gz PVDFAHCWIWQDCP-WFASDCNBSA-N 1 3 307.825 2.116 20 0 DEADHO Cc1cc(F)ccc1N1CCC[C@@H](N2CC[C@H](CC[NH3+])C2)C1=O ZINC000923482119 637203896 /nfs/dbraw/zinc/20/38/96/637203896.db2.gz OXSDQPCPVGHVLH-WMLDXEAASA-N 1 3 319.424 2.300 20 0 DEADHO C[C@@H](C(=O)Nc1cccc2ncccc21)N1CC[C@H](CC[NH3+])C1 ZINC000923482627 637203968 /nfs/dbraw/zinc/20/39/68/637203968.db2.gz GLTKJFCTOWYAHB-KBPBESRZSA-N 1 3 312.417 2.233 20 0 DEADHO C[C@H](NC(=O)CN1CC[C@@H](CC[NH3+])C1)c1ccccc1Cl ZINC000923488649 637208358 /nfs/dbraw/zinc/20/83/58/637208358.db2.gz LRPCBYROIMSKMW-QWHCGFSZSA-N 1 3 309.841 2.188 20 0 DEADHO C[C@H](C(=O)NCc1ccccc1Cl)N1CC[C@H](CC[NH3+])C1 ZINC000923488699 637208713 /nfs/dbraw/zinc/20/87/13/637208713.db2.gz UCUNIZFRQQOHCA-OLZOCXBDSA-N 1 3 309.841 2.015 20 0 DEADHO CCc1ccc(CN(C)C(=O)CN2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923500607 637217701 /nfs/dbraw/zinc/21/77/01/637217701.db2.gz PYOQMZQSDOSGST-YJBOKZPZSA-N 1 3 317.477 2.124 20 0 DEADHO C[C@H](NC(=O)[C@H](C)N1CC[C@@H](C[NH3+])[C@H](C)C1)c1ccc(F)cc1 ZINC000923505085 637219482 /nfs/dbraw/zinc/21/94/82/637219482.db2.gz XYALVUJOCQVACJ-HOSILWTGSA-N 1 3 321.440 2.308 20 0 DEADHO CC(C)N1CC[C@@H](N2CCC([C@@H]3CCC[NH2+]CC3)CC2)C1=O ZINC000923505612 637220622 /nfs/dbraw/zinc/22/06/22/637220622.db2.gz OLCRHEZXHQPYNE-NVXWUHKLSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]([NH2+]CC1CC1)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001029108680 637241859 /nfs/dbraw/zinc/24/18/59/637241859.db2.gz NTHUZNRSLVXJCK-AWEZNQCLSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC([C@@H](C)[NH2+]CC2CC2)CC1)N(C)C ZINC001029110828 637244277 /nfs/dbraw/zinc/24/42/77/637244277.db2.gz UBQORJMEQWGMTD-PBHICJAKSA-N 1 3 309.498 2.199 20 0 DEADHO O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001029356485 637648258 /nfs/dbraw/zinc/64/82/58/637648258.db2.gz ODSLSFRIQFNJOL-WNRNVDISSA-N 1 3 317.477 2.089 20 0 DEADHO O=C([C@H]1CC[C@@H]2CCCC[N@@H+]12)N1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001029356485 637648262 /nfs/dbraw/zinc/64/82/62/637648262.db2.gz ODSLSFRIQFNJOL-WNRNVDISSA-N 1 3 317.477 2.089 20 0 DEADHO CN1CCC(O)(C[NH2+]Cc2ccccc2N2CCCCC2)CC1 ZINC000740899007 637915747 /nfs/dbraw/zinc/91/57/47/637915747.db2.gz LNSVIRKAJVNJSC-UHFFFAOYSA-N 1 3 317.477 2.223 20 0 DEADHO CC[NH+](CC)CCNC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC000895579686 638099917 /nfs/dbraw/zinc/09/99/17/638099917.db2.gz AHAAMCWBGNIRLV-KRWDZBQOSA-N 1 3 321.465 2.192 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC(C3CCCCC3)CC2)C1 ZINC000841007492 650405451 /nfs/dbraw/zinc/40/54/51/650405451.db2.gz OYDPLWFUAHXCQH-INIZCTEOSA-N 1 3 321.509 2.476 20 0 DEADHO CN(C)c1ccc(N2CCC(NC[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000841033572 650410424 /nfs/dbraw/zinc/41/04/24/650410424.db2.gz VWZRSBMCRYKMFE-KRWDZBQOSA-N 1 3 316.493 2.453 20 0 DEADHO Cn1nc(C(F)(F)F)c(CN[C@@H]2CC[C@@H](C[NH3+])C2)c1Cl ZINC000841084805 650426057 /nfs/dbraw/zinc/42/60/57/650426057.db2.gz PZHIEEKGRJVRRL-HTQZYQBOSA-N 1 3 310.751 2.309 20 0 DEADHO CC(C)[C@H](C)N(C)CCS(=O)(=O)CC[N@H+](C)[C@@H](C)C(C)C ZINC000728052709 638760127 /nfs/dbraw/zinc/76/01/27/638760127.db2.gz KCCXZPFXCKLTLI-HOTGVXAUSA-N 1 3 320.543 2.354 20 0 DEADHO CC(C)[C@H](C)N(C)CCS(=O)(=O)CC[N@@H+](C)[C@@H](C)C(C)C ZINC000728052709 638760128 /nfs/dbraw/zinc/76/01/28/638760128.db2.gz KCCXZPFXCKLTLI-HOTGVXAUSA-N 1 3 320.543 2.354 20 0 DEADHO C[N@H+](C[C@H]1CCN(C(=O)CN2CCCC2)C1)CC1CCCCC1 ZINC001029903582 639753560 /nfs/dbraw/zinc/75/35/60/639753560.db2.gz ATMIFMSFYZCMRR-GOSISDBHSA-N 1 3 321.509 2.443 20 0 DEADHO C[N@@H+](C[C@H]1CCN(C(=O)CN2CCCC2)C1)CC1CCCCC1 ZINC001029903582 639753564 /nfs/dbraw/zinc/75/35/64/639753564.db2.gz ATMIFMSFYZCMRR-GOSISDBHSA-N 1 3 321.509 2.443 20 0 DEADHO C[N@@H+](Cc1ccccc1)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029905490 639756865 /nfs/dbraw/zinc/75/68/65/639756865.db2.gz OEEGNZYOZUUTBT-SFHVURJKSA-N 1 3 315.461 2.063 20 0 DEADHO C[N@H+](Cc1ccccc1)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029905490 639756868 /nfs/dbraw/zinc/75/68/68/639756868.db2.gz OEEGNZYOZUUTBT-SFHVURJKSA-N 1 3 315.461 2.063 20 0 DEADHO C[C@@H]1[C@@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987065171 640071517 /nfs/dbraw/zinc/07/15/17/640071517.db2.gz IBSCQZJSQLDJAS-PBHICJAKSA-N 1 3 316.449 2.422 20 0 DEADHO COc1ccc(C[C@@H](C)CN(C)C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000761739637 640342381 /nfs/dbraw/zinc/34/23/81/640342381.db2.gz DLRYKPFKTOPTSA-SJLPKXTDSA-N 1 3 320.477 2.262 20 0 DEADHO CCC[C@H]1CNCCN1C(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000841849279 650578713 /nfs/dbraw/zinc/57/87/13/650578713.db2.gz GMKSLCOYOJCGDA-UONOGXRCSA-N 1 3 324.856 2.034 20 0 DEADHO C[C@@H]1NCCN(C(=O)NC2CCC([NH+]3CCCCC3)CC2)[C@H]1C ZINC000841855450 650581432 /nfs/dbraw/zinc/58/14/32/650581432.db2.gz OYNOGXSINSHADI-JUVOFCAFSA-N 1 3 322.497 2.175 20 0 DEADHO CC[C@@H](CO)N1CCN(c2cc[nH+]c3cc(OC)ccc32)CC1 ZINC000765515723 640788463 /nfs/dbraw/zinc/78/84/63/640788463.db2.gz QYJQEWOIQDFCHD-AWEZNQCLSA-N 1 3 315.417 2.136 20 0 DEADHO CC(C)(O)C[NH+]1CCC(N[C@H](c2ccncc2)C2CC2)CC1 ZINC000898319768 641087591 /nfs/dbraw/zinc/08/75/91/641087591.db2.gz HNLRIQYOWCSGNV-KRWDZBQOSA-N 1 3 303.450 2.358 20 0 DEADHO COC(=O)C[C@H](Cc1ccccc1)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000898302860 641094239 /nfs/dbraw/zinc/09/42/39/641094239.db2.gz IQBHYKGFWWQLJW-PVAVHDDUSA-N 1 3 304.434 2.233 20 0 DEADHO COC(=O)C[C@H](Cc1ccccc1)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000898302860 641094242 /nfs/dbraw/zinc/09/42/42/641094242.db2.gz IQBHYKGFWWQLJW-PVAVHDDUSA-N 1 3 304.434 2.233 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CCC2=CCCCC2)CN1C(=O)Cc1c[nH]cn1 ZINC000989493159 641123704 /nfs/dbraw/zinc/12/37/04/641123704.db2.gz RPNOSSOZUKAMMM-PBHICJAKSA-N 1 3 316.449 2.422 20 0 DEADHO CC(C)[NH2+][C@H]1C[C@H](C)N(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000989825377 641248795 /nfs/dbraw/zinc/24/87/95/641248795.db2.gz FBQMJBIXSNTMCV-YOEHRIQHSA-N 1 3 303.450 2.349 20 0 DEADHO CCc1noc(C)c1[C@H](C)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000769879113 641304406 /nfs/dbraw/zinc/30/44/06/641304406.db2.gz ZZOWQULFJILFBN-DZGCQCFKSA-N 1 3 309.454 2.433 20 0 DEADHO CCc1noc(C)c1[C@H](C)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000769879113 641304412 /nfs/dbraw/zinc/30/44/12/641304412.db2.gz ZZOWQULFJILFBN-DZGCQCFKSA-N 1 3 309.454 2.433 20 0 DEADHO CCO[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C)CN(C)C ZINC000926961015 641539788 /nfs/dbraw/zinc/53/97/88/641539788.db2.gz OABJJDWPABYNRP-BHIYHBOVSA-N 1 3 319.493 2.206 20 0 DEADHO C[NH+](C)Cc1ccc(F)c(-c2ccc(C3(O)CNC3)cc2)c1 ZINC000899325629 642035813 /nfs/dbraw/zinc/03/58/13/642035813.db2.gz YAUIEKKPDBTSGC-UHFFFAOYSA-N 1 3 300.377 2.345 20 0 DEADHO CN(C)[C@H](CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)c1ccccc1 ZINC000899941763 642217773 /nfs/dbraw/zinc/21/77/73/642217773.db2.gz KCXPZFUMPRRTJM-OKZBNKHCSA-N 1 3 315.461 2.422 20 0 DEADHO CN(C)[C@H](CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)c1ccccc1 ZINC000899941763 642217776 /nfs/dbraw/zinc/21/77/76/642217776.db2.gz KCXPZFUMPRRTJM-OKZBNKHCSA-N 1 3 315.461 2.422 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000900430151 642368644 /nfs/dbraw/zinc/36/86/44/642368644.db2.gz SABCMSHEOUYOGA-HOTGVXAUSA-N 1 3 307.482 2.336 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000900430151 642368651 /nfs/dbraw/zinc/36/86/51/642368651.db2.gz SABCMSHEOUYOGA-HOTGVXAUSA-N 1 3 307.482 2.336 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CC[C@]3(C2)CCCC[NH2+]3)c1 ZINC000900475138 642387931 /nfs/dbraw/zinc/38/79/31/642387931.db2.gz UMOHSCVNSNCPLZ-SFHVURJKSA-N 1 3 316.449 2.498 20 0 DEADHO CN(CC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)C1CCC1 ZINC000900685161 642443874 /nfs/dbraw/zinc/44/38/74/642443874.db2.gz NIFMDXDBOFNSPD-UHFFFAOYSA-N 1 3 319.449 2.187 20 0 DEADHO O=C(N(CCN1CCCC1)c1ccccc1)C12CC[NH+](CC1)C2 ZINC000900794415 642472861 /nfs/dbraw/zinc/47/28/61/642472861.db2.gz VZRBKBKJMZCYAX-UHFFFAOYSA-N 1 3 313.445 2.211 20 0 DEADHO CCNc1ccccc1C[NH2+]C[C@@H](C)N1CCN(CC)CC1 ZINC000902067963 642897005 /nfs/dbraw/zinc/89/70/05/642897005.db2.gz RQTWFQJJIZFNFW-MRXNPFEDSA-N 1 3 304.482 2.234 20 0 DEADHO CC(C)(C)N1CCC([NH2+]CC2(C3(O)CCOCC3)CC2)CC1 ZINC000903350806 643324824 /nfs/dbraw/zinc/32/48/24/643324824.db2.gz YWZSHJNFZUKNDB-UHFFFAOYSA-N 1 3 310.482 2.161 20 0 DEADHO c1ccn2c(c1)nnc2C1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903734373 643447875 /nfs/dbraw/zinc/44/78/75/643447875.db2.gz YQCDFYBBWGULNL-HNNXBMFYSA-N 1 3 313.449 2.298 20 0 DEADHO COc1ccccc1C1(NC[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903763514 643452835 /nfs/dbraw/zinc/45/28/35/643452835.db2.gz LFRLHCBCQXBPPV-YOEHRIQHSA-N 1 3 302.418 2.043 20 0 DEADHO NC[C@]12CC[C@H]1CCC[N@@H+]2C[C@H]1CCC2(CCOCC2)CO1 ZINC000903804730 643468385 /nfs/dbraw/zinc/46/83/85/643468385.db2.gz ICNHUKPBKFGADA-JFIYKMOQSA-N 1 3 308.466 2.166 20 0 DEADHO NC[C@]12CC[C@H]1CCC[N@H+]2C[C@H]1CCC2(CCOCC2)CO1 ZINC000903804730 643468389 /nfs/dbraw/zinc/46/83/89/643468389.db2.gz ICNHUKPBKFGADA-JFIYKMOQSA-N 1 3 308.466 2.166 20 0 DEADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CC[C@H](c2ccccc2)C1 ZINC000903884039 643496171 /nfs/dbraw/zinc/49/61/71/643496171.db2.gz PVDBZJXMVKTKDK-DLBZAZTESA-N 1 3 311.433 2.192 20 0 DEADHO CC(C)[C@@H]1CCCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903896203 643499028 /nfs/dbraw/zinc/49/90/28/643499028.db2.gz TZJGYQMCFIKYGF-HZPDHXFCSA-N 1 3 305.470 2.461 20 0 DEADHO CS[C@H]1CCCC[N@H+](C[C@@H](CN)Cc2cnn(C)c2C)C1 ZINC000903899762 643501187 /nfs/dbraw/zinc/50/11/87/643501187.db2.gz UHNGUKFNCBTXBO-ZBFHGGJFSA-N 1 3 310.511 2.063 20 0 DEADHO CS[C@H]1CCCC[N@@H+](C[C@@H](CN)Cc2cnn(C)c2C)C1 ZINC000903899762 643501188 /nfs/dbraw/zinc/50/11/88/643501188.db2.gz UHNGUKFNCBTXBO-ZBFHGGJFSA-N 1 3 310.511 2.063 20 0 DEADHO CS[C@H]1CCCCN(C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903899762 643501191 /nfs/dbraw/zinc/50/11/91/643501191.db2.gz UHNGUKFNCBTXBO-ZBFHGGJFSA-N 1 3 310.511 2.063 20 0 DEADHO FC1(F)CCNC[C@H]1C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000903957749 643518768 /nfs/dbraw/zinc/51/87/68/643518768.db2.gz TZHOPIASIQDCIH-INIZCTEOSA-N 1 3 323.431 2.485 20 0 DEADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1cc(Cl)cs1)C2 ZINC000903976793 643532608 /nfs/dbraw/zinc/53/26/08/643532608.db2.gz AQZQWISKHIXHIG-PXWWUCIGSA-N 1 3 314.838 2.114 20 0 DEADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cc[nH]c(=O)c1 ZINC000788643462 643631453 /nfs/dbraw/zinc/63/14/53/643631453.db2.gz JRJDVPMOFNPABY-QLFBSQMISA-N 1 3 307.438 2.327 20 0 DEADHO COc1ccc(OC)c(CN2CCC3(CO[C@H](C[NH3+])C3)CC2)c1 ZINC000904388778 643650770 /nfs/dbraw/zinc/65/07/70/643650770.db2.gz AXUYDSZKLMSMTL-INIZCTEOSA-N 1 3 320.433 2.034 20 0 DEADHO COc1ccc(CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)c(F)c1 ZINC000904392874 643652503 /nfs/dbraw/zinc/65/25/03/643652503.db2.gz BVEOGQGHPFAXJA-OAHLLOKOSA-N 1 3 308.397 2.164 20 0 DEADHO Nc1ccc(CN2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)nn1 ZINC000904385582 643656898 /nfs/dbraw/zinc/65/68/98/643656898.db2.gz ZFWXDQHGTGIHRK-CZUORRHYSA-N 1 3 303.454 2.178 20 0 DEADHO COc1ccc(CN2CC[C@H](C[NH3+])[C@@H](C)C2)c(OC)c1OC ZINC000904412256 643662814 /nfs/dbraw/zinc/66/28/14/643662814.db2.gz QYLSVJGYJCCHOX-QWHCGFSZSA-N 1 3 308.422 2.129 20 0 DEADHO CCC[C@@](C)([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000904468418 643676175 /nfs/dbraw/zinc/67/61/75/643676175.db2.gz CERWNXPTUBRNCY-VQIMIIECSA-N 1 3 317.477 2.489 20 0 DEADHO O[C@H](CC[C@H](O)c1ccccc1)CN[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000905045636 643769014 /nfs/dbraw/zinc/76/90/14/643769014.db2.gz KXSSLGQTORSQLF-YRXWBPOGSA-N 1 3 318.461 2.078 20 0 DEADHO O[C@H](CC[C@H](O)c1ccccc1)CN[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000905045636 643769018 /nfs/dbraw/zinc/76/90/18/643769018.db2.gz KXSSLGQTORSQLF-YRXWBPOGSA-N 1 3 318.461 2.078 20 0 DEADHO O[C@@H](CCOCc1ccccc1)CN[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000905044954 643769426 /nfs/dbraw/zinc/76/94/26/643769426.db2.gz GOEFWKBISAFSMN-IPMKNSEASA-N 1 3 318.461 2.171 20 0 DEADHO O[C@@H](CCOCc1ccccc1)CN[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000905044954 643769430 /nfs/dbraw/zinc/76/94/30/643769430.db2.gz GOEFWKBISAFSMN-IPMKNSEASA-N 1 3 318.461 2.171 20 0 DEADHO C[C@H](NC[C@H](O)C[C@@H](O)c1ccccc1)C(C)(C)C[NH+](C)C ZINC000905131198 643806475 /nfs/dbraw/zinc/80/64/75/643806475.db2.gz DKESYVIWBBOASE-USXIJHARSA-N 1 3 308.466 2.037 20 0 DEADHO CN(C)c1ccc(NC(=O)CCNCCC[NH+]2CCCC2)cc1 ZINC000790121821 643816954 /nfs/dbraw/zinc/81/69/54/643816954.db2.gz XLUZQWUBYPTVRG-UHFFFAOYSA-N 1 3 318.465 2.157 20 0 DEADHO C[C@@H](CNC1CC[NH+](CC2CC2)CC1)NC(=O)OC(C)(C)C ZINC000793217286 644209462 /nfs/dbraw/zinc/20/94/62/644209462.db2.gz KUXQKJYOEYYKSU-ZDUSSCGKSA-N 1 3 311.470 2.364 20 0 DEADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000907761844 644635707 /nfs/dbraw/zinc/63/57/07/644635707.db2.gz GVCHYFSIVWINBI-XIRDDKMYSA-N 1 3 305.466 2.136 20 0 DEADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000907761844 644635708 /nfs/dbraw/zinc/63/57/08/644635708.db2.gz GVCHYFSIVWINBI-XIRDDKMYSA-N 1 3 305.466 2.136 20 0 DEADHO C[NH2+]CC1CCN([C@@H]2CCCN(c3ccc(C)cc3)C2=O)CC1 ZINC000843349073 650954760 /nfs/dbraw/zinc/95/47/60/650954760.db2.gz GEXPKOIRNAPRQV-GOSISDBHSA-N 1 3 315.461 2.422 20 0 DEADHO CN1CC[C@H]([NH2+]C2CCN(C[C@@H]3CCCO3)CC2)[C@H]2CCC[C@H]21 ZINC000796765080 644789490 /nfs/dbraw/zinc/78/94/90/644789490.db2.gz WCNSVPMNSWSAHY-ZSYWTGECSA-N 1 3 321.509 2.092 20 0 DEADHO C[N@@H+]1CC[C@H](NC[C@H](O)c2c(F)cccc2F)[C@@H]2CCC[C@H]21 ZINC000796817957 644797514 /nfs/dbraw/zinc/79/75/14/644797514.db2.gz OPKHHQPCSYSNBC-KSYCFECVSA-N 1 3 310.388 2.461 20 0 DEADHO C[N@H+]1CC[C@H](NC[C@H](O)c2c(F)cccc2F)[C@@H]2CCC[C@H]21 ZINC000796817957 644797523 /nfs/dbraw/zinc/79/75/23/644797523.db2.gz OPKHHQPCSYSNBC-KSYCFECVSA-N 1 3 310.388 2.461 20 0 DEADHO C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(NC4=NCCC4)cc3)[C@@H]2C1 ZINC000908345334 644827250 /nfs/dbraw/zinc/82/72/50/644827250.db2.gz BSKVTWRZERUQHC-GOEBONIOSA-N 1 3 312.417 2.067 20 0 DEADHO C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(NC4=NCCC4)cc3)[C@@H]2C1 ZINC000908345334 644827254 /nfs/dbraw/zinc/82/72/54/644827254.db2.gz BSKVTWRZERUQHC-GOEBONIOSA-N 1 3 312.417 2.067 20 0 DEADHO Cc1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc(Cl)n1 ZINC000799736348 645215859 /nfs/dbraw/zinc/21/58/59/645215859.db2.gz OOFXOEOTFJJYSB-UHFFFAOYSA-N 1 3 310.873 2.159 20 0 DEADHO C[N@H+](C[C@@H](O)CN[C@@H](c1ccccc1)C1CCOCC1)C1CC1 ZINC000809972673 646306258 /nfs/dbraw/zinc/30/62/58/646306258.db2.gz LNDWKFZLXAEVFQ-OALUTQOASA-N 1 3 318.461 2.199 20 0 DEADHO C[N@@H+](C[C@@H](O)CN[C@@H](c1ccccc1)C1CCOCC1)C1CC1 ZINC000809972673 646306260 /nfs/dbraw/zinc/30/62/60/646306260.db2.gz LNDWKFZLXAEVFQ-OALUTQOASA-N 1 3 318.461 2.199 20 0 DEADHO CC(C)(C)OC(=O)NC1CC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000226862449 646587752 /nfs/dbraw/zinc/58/77/52/646587752.db2.gz UYUOMTZHUFVVSN-XSCHDIRWSA-N 1 3 309.454 2.259 20 0 DEADHO CC(C)(C)OC(=O)NC1CC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000226862449 646587754 /nfs/dbraw/zinc/58/77/54/646587754.db2.gz UYUOMTZHUFVVSN-XSCHDIRWSA-N 1 3 309.454 2.259 20 0 DEADHO CC[NH+](CC)CCCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000813451109 646771442 /nfs/dbraw/zinc/77/14/42/646771442.db2.gz IPXLHVXLVOAHEQ-KRWDZBQOSA-N 1 3 315.477 2.437 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]C[C@H](C)CN(C)C)C1 ZINC000813877048 646817978 /nfs/dbraw/zinc/81/79/78/646817978.db2.gz JEFBBKBEOKHRIE-XQQFMLRXSA-N 1 3 306.397 2.141 20 0 DEADHO CN1CC[C@]2(CC[N@H+](C[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)C1 ZINC000814178627 646858419 /nfs/dbraw/zinc/85/84/19/646858419.db2.gz XPPGEBUYEUYWSC-YJBOKZPZSA-N 1 3 323.481 2.414 20 0 DEADHO CN1CC[C@]2(CC[N@@H+](C[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)C1 ZINC000814178627 646858421 /nfs/dbraw/zinc/85/84/21/646858421.db2.gz XPPGEBUYEUYWSC-YJBOKZPZSA-N 1 3 323.481 2.414 20 0 DEADHO CC[N@@H+]1CC[C@]2(NC(=O)c3cccc(CN(C)C)c3)CCC[C@@H]12 ZINC000992505928 647077995 /nfs/dbraw/zinc/07/79/95/647077995.db2.gz IMRCXIRONSKMPM-IEBWSBKVSA-N 1 3 315.461 2.495 20 0 DEADHO CC[N@H+]1CC[C@]2(NC(=O)c3cccc(CN(C)C)c3)CCC[C@@H]12 ZINC000992505928 647077998 /nfs/dbraw/zinc/07/79/98/647077998.db2.gz IMRCXIRONSKMPM-IEBWSBKVSA-N 1 3 315.461 2.495 20 0 DEADHO CN(C)C1(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CC4CC4)[C@H]3C2)CCC1 ZINC000992724494 647196956 /nfs/dbraw/zinc/19/69/56/647196956.db2.gz WWQYJDWVJFGRTB-YESZJQIVSA-N 1 3 319.493 2.097 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000817917089 647381098 /nfs/dbraw/zinc/38/10/98/647381098.db2.gz NEQUYFOULBBWNS-WKPIXPDZSA-N 1 3 300.805 2.490 20 0 DEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000817924684 647383296 /nfs/dbraw/zinc/38/32/96/647383296.db2.gz JMQVTWKWYUHUDG-VNCIIQTRSA-N 1 3 303.450 2.319 20 0 DEADHO C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H]1COC2(CCCC2)O1 ZINC000820830404 647927240 /nfs/dbraw/zinc/92/72/40/647927240.db2.gz SGXWTNYJRRYCRV-CVGRLMLNSA-N 1 3 306.450 2.420 20 0 DEADHO C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H]1COC2(CCCC2)O1 ZINC000820830404 647927245 /nfs/dbraw/zinc/92/72/45/647927245.db2.gz SGXWTNYJRRYCRV-CVGRLMLNSA-N 1 3 306.450 2.420 20 0 DEADHO C[C@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCCN1CCC(F)(F)F ZINC000994415097 647945742 /nfs/dbraw/zinc/94/57/42/647945742.db2.gz ZYFJWPAQEVOINU-STQMWFEESA-N 1 3 321.387 2.004 20 0 DEADHO C[C@H]1[C@@H](NC(=O)CN2CCCC2)CCC[N@@H+]1CCC(F)(F)F ZINC000994415097 647945745 /nfs/dbraw/zinc/94/57/45/647945745.db2.gz ZYFJWPAQEVOINU-STQMWFEESA-N 1 3 321.387 2.004 20 0 DEADHO C[C@H]1[C@@H](NC(=O)CN2CCCC2)CCC[N@H+]1CCC(F)(F)F ZINC000994415097 647945749 /nfs/dbraw/zinc/94/57/49/647945749.db2.gz ZYFJWPAQEVOINU-STQMWFEESA-N 1 3 321.387 2.004 20 0 DEADHO Cc1nc(CN2CCC(C[NH2+][C@H]3CCCN[C@H]3C)CC2)oc1C ZINC000925479518 648223003 /nfs/dbraw/zinc/22/30/03/648223003.db2.gz RQZJOUDMYTUOGH-YOEHRIQHSA-N 1 3 320.481 2.234 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C(C)C)CC1(C)C ZINC000940785013 648940623 /nfs/dbraw/zinc/94/06/23/648940623.db2.gz FSPBQIXVAJCDCB-HZPDHXFCSA-N 1 3 309.498 2.486 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C(C)C)CC1(C)C ZINC000940785013 648940624 /nfs/dbraw/zinc/94/06/24/648940624.db2.gz FSPBQIXVAJCDCB-HZPDHXFCSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CC[S@@](C)=O)CC1 ZINC000828058672 649127244 /nfs/dbraw/zinc/12/72/44/649127244.db2.gz DEAACNQCNIKEDQ-MGPUTAFESA-N 1 3 300.512 2.341 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCC1CCN(CC[S@@](C)=O)CC1 ZINC000828058672 649127245 /nfs/dbraw/zinc/12/72/45/649127245.db2.gz DEAACNQCNIKEDQ-MGPUTAFESA-N 1 3 300.512 2.341 20 0 DEADHO CC(C)CC(=O)CC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000828114617 649134513 /nfs/dbraw/zinc/13/45/13/649134513.db2.gz DGJMLGGUTDMXRF-UHFFFAOYSA-N 1 3 323.525 2.482 20 0 DEADHO CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000945029579 649600814 /nfs/dbraw/zinc/60/08/14/649600814.db2.gz TYNGPUFYAUFUAZ-WMLDXEAASA-N 1 3 303.450 2.208 20 0 DEADHO CC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000945029579 649600816 /nfs/dbraw/zinc/60/08/16/649600816.db2.gz TYNGPUFYAUFUAZ-WMLDXEAASA-N 1 3 303.450 2.208 20 0 DEADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)[C@@]1(F)CC[NH2+]C1 ZINC000831827707 649647393 /nfs/dbraw/zinc/64/73/93/649647393.db2.gz UGTRHLICVYONNU-FUHWJXTLSA-N 1 3 319.424 2.031 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000834795423 649846840 /nfs/dbraw/zinc/84/68/40/649846840.db2.gz JHXGRLBBDMZHKO-PQUAAJSLSA-N 1 3 307.482 2.384 20 0 DEADHO CC[N@H+](CCCNC1CCS(=O)(=O)CC1)C1CCCCC1 ZINC000846070582 651306339 /nfs/dbraw/zinc/30/63/39/651306339.db2.gz SXSUONMNFMOWNM-UHFFFAOYSA-N 1 3 316.511 2.198 20 0 DEADHO CC[N@@H+](CCCNC1CCS(=O)(=O)CC1)C1CCCCC1 ZINC000846070582 651306341 /nfs/dbraw/zinc/30/63/41/651306341.db2.gz SXSUONMNFMOWNM-UHFFFAOYSA-N 1 3 316.511 2.198 20 0 DEADHO COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](C)N2CCCC2)c1 ZINC000848986673 651572520 /nfs/dbraw/zinc/57/25/20/651572520.db2.gz SFJFXOQUBXXKAS-GFCCVEGCSA-N 1 3 306.410 2.124 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C)c1OC ZINC000849049393 651595842 /nfs/dbraw/zinc/59/58/42/651595842.db2.gz OICBHGIMOIRRHB-OAHLLOKOSA-N 1 3 304.438 2.102 20 0 DEADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000855285402 651664259 /nfs/dbraw/zinc/66/42/59/651664259.db2.gz FBOAWBNZTRJKPP-DYVFJYSZSA-N 1 3 313.461 2.188 20 0 DEADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000855285402 651664261 /nfs/dbraw/zinc/66/42/61/651664261.db2.gz FBOAWBNZTRJKPP-DYVFJYSZSA-N 1 3 313.461 2.188 20 0 DEADHO Cc1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cn1 ZINC000850357347 651910084 /nfs/dbraw/zinc/91/00/84/651910084.db2.gz GONMMYALKGQRNA-LJQANCHMSA-N 1 3 311.429 2.246 20 0 DEADHO Cc1ccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cn1 ZINC000850357347 651910089 /nfs/dbraw/zinc/91/00/89/651910089.db2.gz GONMMYALKGQRNA-LJQANCHMSA-N 1 3 311.429 2.246 20 0 DEADHO CCOC(=O)[C@]1(F)CN(CC[C@@H]2CCC[NH2+]C2)CC12CCC2 ZINC000852754981 652451285 /nfs/dbraw/zinc/45/12/85/652451285.db2.gz RQPBSSJVBJBXDY-WMLDXEAASA-N 1 3 312.429 2.133 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H](C)C(C)(C)C ZINC000853744418 652597129 /nfs/dbraw/zinc/59/71/29/652597129.db2.gz MQLSJHXSQYTHFQ-CABCVRRESA-N 1 3 314.518 2.240 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H](C)C(C)(C)C ZINC000853744418 652597130 /nfs/dbraw/zinc/59/71/30/652597130.db2.gz MQLSJHXSQYTHFQ-CABCVRRESA-N 1 3 314.518 2.240 20 0 DEADHO CN(CC(=O)NCC[C@H]1CC[N@H+](C/C=C\Cl)C1)C1CCC1 ZINC001391309083 1156327011 /nfs/dbraw/zinc/32/70/11/1156327011.db2.gz IYBMDSFMXHGHNE-FCIQKIPGSA-N 1 3 313.873 2.051 20 0 DEADHO CN(CC(=O)NCC[C@H]1CC[N@@H+](C/C=C\Cl)C1)C1CCC1 ZINC001391309083 1156327019 /nfs/dbraw/zinc/32/70/19/1156327019.db2.gz IYBMDSFMXHGHNE-FCIQKIPGSA-N 1 3 313.873 2.051 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CCCF)C1 ZINC001391364042 1156360449 /nfs/dbraw/zinc/36/04/49/1156360449.db2.gz XYFZRTDECQLEGX-CVEARBPZSA-N 1 3 313.461 2.001 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCCF)C1 ZINC001391364042 1156360455 /nfs/dbraw/zinc/36/04/55/1156360455.db2.gz XYFZRTDECQLEGX-CVEARBPZSA-N 1 3 313.461 2.001 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]Cc1cc(F)ccc1C ZINC001392523525 1157091389 /nfs/dbraw/zinc/09/13/89/1157091389.db2.gz DNELOSLQAAUBCT-CQSZACIVSA-N 1 3 309.429 2.070 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000382764637 685405731 /nfs/dbraw/zinc/40/57/31/685405731.db2.gz QVGNLZTTYUPLDZ-YJBOKZPZSA-N 1 3 315.461 2.237 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(F)nc2)[C@H](C)C1 ZINC000189111331 684372389 /nfs/dbraw/zinc/37/23/89/684372389.db2.gz SSHCZWLTGOZKDO-GDBMZVCRSA-N 1 3 309.429 2.447 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000928838555 693853131 /nfs/dbraw/zinc/85/31/31/693853131.db2.gz KXWMUJURVOKOMC-UXLLHSPISA-N 1 3 318.465 2.063 20 0 DEADHO CC(C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054144895 693861990 /nfs/dbraw/zinc/86/19/90/693861990.db2.gz DWRKMQADQGIBOQ-SFHVURJKSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054144895 693861993 /nfs/dbraw/zinc/86/19/93/693861993.db2.gz DWRKMQADQGIBOQ-SFHVURJKSA-N 1 3 307.482 2.194 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@]34C[C@@H]3CCCC4)CC2)CC1 ZINC000865064036 686930262 /nfs/dbraw/zinc/93/02/62/686930262.db2.gz LCOVEXAVPVCWCM-KXBFYZLASA-N 1 3 319.493 2.242 20 0 DEADHO Cc1cc(CNCC2(c3ccccc3)CC[NH+](C)CC2)nn1C ZINC000865774154 687330356 /nfs/dbraw/zinc/33/03/56/687330356.db2.gz FWOFYYFHRZBKIT-UHFFFAOYSA-N 1 3 312.461 2.482 20 0 DEADHO CC(C)(C)[C@@]1(CN)CC[N@H+](CCC(=O)Nc2cccnc2)C1 ZINC000866705807 687660186 /nfs/dbraw/zinc/66/01/86/687660186.db2.gz BVAIFMPXVPKPPT-QGZVFWFLSA-N 1 3 304.438 2.107 20 0 DEADHO CC(C)(C)[C@@]1(CN)CC[N@@H+](CCC(=O)Nc2cccnc2)C1 ZINC000866705807 687660190 /nfs/dbraw/zinc/66/01/90/687660190.db2.gz BVAIFMPXVPKPPT-QGZVFWFLSA-N 1 3 304.438 2.107 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H](C[N@H+](C)CC2CCC2)C1 ZINC001017208887 687823842 /nfs/dbraw/zinc/82/38/42/687823842.db2.gz KPWHRHVKKLMKEW-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H](C[N@@H+](C)CC2CCC2)C1 ZINC001017208887 687823849 /nfs/dbraw/zinc/82/38/49/687823849.db2.gz KPWHRHVKKLMKEW-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001017226490 687834027 /nfs/dbraw/zinc/83/40/27/687834027.db2.gz JZQIBMABNJQPEN-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001017226490 687834031 /nfs/dbraw/zinc/83/40/31/687834031.db2.gz JZQIBMABNJQPEN-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)C(C)C)C1 ZINC001017268347 687849984 /nfs/dbraw/zinc/84/99/84/687849984.db2.gz ZBEFMWOVENVXQB-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)C(C)C)C1 ZINC001017268347 687849992 /nfs/dbraw/zinc/84/99/92/687849992.db2.gz ZBEFMWOVENVXQB-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)cc1 ZINC001018964987 688262632 /nfs/dbraw/zinc/26/26/32/688262632.db2.gz RSJWHEDCNLNWSY-ROUUACIJSA-N 1 3 315.461 2.026 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC2CCC(C)CC2)C1)N(C)C ZINC001019395075 688346498 /nfs/dbraw/zinc/34/64/98/688346498.db2.gz ZLQZEAMGHNYEOW-GQGLESIBSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC2)C1)N1CCCCC1 ZINC001020154679 688475647 /nfs/dbraw/zinc/47/56/47/688475647.db2.gz KHDZKDGHBNAVSA-WKILWMFISA-N 1 3 307.482 2.288 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)N(C)C)cc1 ZINC000870854375 688668390 /nfs/dbraw/zinc/66/83/90/688668390.db2.gz YIWFQVCJTHKUSL-KZNAEPCWSA-N 1 3 317.477 2.485 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)CN1Cc1ccccc1 ZINC000870906696 688682788 /nfs/dbraw/zinc/68/27/88/688682788.db2.gz PNNWLXKYOXANKM-NRSFXHEJSA-N 1 3 315.461 2.283 20 0 DEADHO C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc([O-])c1F ZINC000872036257 688917668 /nfs/dbraw/zinc/91/76/68/688917668.db2.gz QQYLWQJANJMGQW-KGLIPLIRSA-N 1 3 310.413 2.419 20 0 DEADHO C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc([O-])c1F ZINC000872036257 688917670 /nfs/dbraw/zinc/91/76/70/688917670.db2.gz QQYLWQJANJMGQW-KGLIPLIRSA-N 1 3 310.413 2.419 20 0 DEADHO CC(C)(C)S(=O)(=O)CCCN[C@@H](C[NH3+])C1CCCCC1 ZINC000872144481 688935817 /nfs/dbraw/zinc/93/58/17/688935817.db2.gz GFVMGCDXPDZMNU-AWEZNQCLSA-N 1 3 304.500 2.087 20 0 DEADHO CC(C)(O)C[C@@H](O)CNC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000872208245 688952755 /nfs/dbraw/zinc/95/27/55/688952755.db2.gz SLFPIOXMUWNIRU-MJGOQNOKSA-N 1 3 320.477 2.010 20 0 DEADHO CC(C)(O)C[C@@H](O)CNC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000872208245 688952757 /nfs/dbraw/zinc/95/27/57/688952757.db2.gz SLFPIOXMUWNIRU-MJGOQNOKSA-N 1 3 320.477 2.010 20 0 DEADHO CC(C)CN(CC1CC[NH+](C)CC1)CN1C(=O)CC(C)(C)C1=O ZINC000872743722 689081210 /nfs/dbraw/zinc/08/12/10/689081210.db2.gz HUWCKSMJTKIFKK-UHFFFAOYSA-N 1 3 323.481 2.029 20 0 DEADHO CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC1)[NH+]1CCCCC1 ZINC001032404822 689142497 /nfs/dbraw/zinc/14/24/97/689142497.db2.gz ZGLCGMVKKNWMTB-IRXDYDNUSA-N 1 3 319.493 2.336 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1COc2cccc(Br)c2C1 ZINC000873273082 689199501 /nfs/dbraw/zinc/19/95/01/689199501.db2.gz YKDYAXLPNUFMAN-DCAQKATOSA-N 1 3 313.239 2.468 20 0 DEADHO CC(C)=CCN1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033473997 689514214 /nfs/dbraw/zinc/51/42/14/689514214.db2.gz DNKOLUDLLISLKC-QGZVFWFLSA-N 1 3 307.482 2.217 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CC2)C1 ZINC001034239371 689776878 /nfs/dbraw/zinc/77/68/78/689776878.db2.gz JTBAIOAGZRRQNY-IRXDYDNUSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CC2)C1 ZINC001034239371 689776882 /nfs/dbraw/zinc/77/68/82/689776882.db2.gz JTBAIOAGZRRQNY-IRXDYDNUSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001034340509 689815593 /nfs/dbraw/zinc/81/55/93/689815593.db2.gz PQUDKXBKAGYLFE-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001034340509 689815598 /nfs/dbraw/zinc/81/55/98/689815598.db2.gz PQUDKXBKAGYLFE-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)N(C)C)cc1 ZINC000876731323 689919022 /nfs/dbraw/zinc/91/90/22/689919022.db2.gz IIOKOXPUHRLBAI-HRCADAONSA-N 1 3 303.450 2.087 20 0 DEADHO O=C(/C=C\[C@H]1CCC[NH2+]C1)N1CCN(C2CCCCC2)CC1 ZINC000876874012 689960767 /nfs/dbraw/zinc/96/07/67/689960767.db2.gz YAWGMDJKLAWBJY-HLRDLLSLSA-N 1 3 305.466 2.019 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC1 ZINC001035134115 690035209 /nfs/dbraw/zinc/03/52/09/690035209.db2.gz UDWNYGWQUKUZMW-SJORKVTESA-N 1 3 307.482 2.242 20 0 DEADHO CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001035167559 690046659 /nfs/dbraw/zinc/04/66/59/690046659.db2.gz QTQZSTUIIOGSNY-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001035167559 690046663 /nfs/dbraw/zinc/04/66/63/690046663.db2.gz QTQZSTUIIOGSNY-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO O=C(N[C@H]1CCCCC12CC[NH2+]CC2)c1ccc2c(c1)CNC2 ZINC000877403844 690103353 /nfs/dbraw/zinc/10/33/53/690103353.db2.gz UVYZXRHLJHSMIP-KRWDZBQOSA-N 1 3 313.445 2.332 20 0 DEADHO CCCC[NH+]1CC2(C1)CCN(C(=O)CN1CC[C@@H](C)C1)CC2 ZINC001035797240 690178893 /nfs/dbraw/zinc/17/88/93/690178893.db2.gz FZNRVJHRJIFMKP-MRXNPFEDSA-N 1 3 307.482 2.053 20 0 DEADHO CC(C)=CCN1CC2(C1)CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)CC2 ZINC001035796377 690179175 /nfs/dbraw/zinc/17/91/75/690179175.db2.gz AUKAQZOBZCJSMT-QGZVFWFLSA-N 1 3 319.493 2.219 20 0 DEADHO CC(C)=CCN1CC2(C1)CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)CC2 ZINC001035796377 690179176 /nfs/dbraw/zinc/17/91/76/690179176.db2.gz AUKAQZOBZCJSMT-QGZVFWFLSA-N 1 3 319.493 2.219 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CC1CCC1 ZINC001036055701 690247947 /nfs/dbraw/zinc/24/79/47/690247947.db2.gz RBCOVMIFNGTSSH-GDBMZVCRSA-N 1 3 307.482 2.097 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CC3CCC3)[C@@H](C)C2)CC1 ZINC001036223140 690295218 /nfs/dbraw/zinc/29/52/18/690295218.db2.gz FFPIDMVRLMPWJT-WMZOPIPTSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001036229198 690296406 /nfs/dbraw/zinc/29/64/06/690296406.db2.gz HLCUCQDDSONVSL-DLBZAZTESA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@H](Cc1ccccc1)N(C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878132518 690320060 /nfs/dbraw/zinc/32/00/60/690320060.db2.gz XVMYOUMAVRMXPD-GOSISDBHSA-N 1 3 317.477 2.150 20 0 DEADHO C[C@@H]([NH2+]CC1CC1)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001036413438 690345076 /nfs/dbraw/zinc/34/50/76/690345076.db2.gz OBEXSPXNPAAANY-ZBFHGGJFSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]([NH2+]CC1CC1)[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001036462529 690355342 /nfs/dbraw/zinc/35/53/42/690355342.db2.gz WKLTZYUYFNBUMM-FUHWJXTLSA-N 1 3 321.509 2.345 20 0 DEADHO CCC[N@@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@H]21 ZINC001036852999 690499348 /nfs/dbraw/zinc/49/93/48/690499348.db2.gz MRCKFHRYIONJPO-DLBZAZTESA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@H]21 ZINC001036852999 690499350 /nfs/dbraw/zinc/49/93/50/690499350.db2.gz MRCKFHRYIONJPO-DLBZAZTESA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)(C)SCCC[NH+]1CCC(N2CC[C@@H](O)C2)CC1 ZINC000878994412 690544692 /nfs/dbraw/zinc/54/46/92/690544692.db2.gz ZOOPUVWDWSAJKP-OAHLLOKOSA-N 1 3 300.512 2.439 20 0 DEADHO CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC001037120350 690573644 /nfs/dbraw/zinc/57/36/44/690573644.db2.gz HXUWWWCRXDVJMH-PBHICJAKSA-N 1 3 303.450 2.256 20 0 DEADHO CCC[C@@H](C)NC(=O)[C@H](C)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248449 690602479 /nfs/dbraw/zinc/60/24/79/690602479.db2.gz OYPZSAZDFYITPY-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@H]1[NH2+]CC1CC1 ZINC001037951276 690647759 /nfs/dbraw/zinc/64/77/59/690647759.db2.gz RZSIYXDRKFPPGQ-ZWKOTPCHSA-N 1 3 321.509 2.345 20 0 DEADHO CN1CC[C@@H]2C[N@H+](C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000879571485 690676249 /nfs/dbraw/zinc/67/62/49/690676249.db2.gz AJKHFKALZBNNKJ-ARFHVFGLSA-N 1 3 323.481 2.269 20 0 DEADHO CN1CC[C@@H]2C[N@@H+](C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000879571485 690676253 /nfs/dbraw/zinc/67/62/53/690676253.db2.gz AJKHFKALZBNNKJ-ARFHVFGLSA-N 1 3 323.481 2.269 20 0 DEADHO CC1CC(CN2CC[C@H]2CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001038394212 690804437 /nfs/dbraw/zinc/80/44/37/690804437.db2.gz NMQFHVQQENMEQA-JCYILVPMSA-N 1 3 319.493 2.099 20 0 DEADHO O=C(NC[C@@H]1CCN1CCC1CCCC1)C12CCC[NH+]1CCC2 ZINC001038455500 690827487 /nfs/dbraw/zinc/82/74/87/690827487.db2.gz RWLXSZNTNWMWQZ-KRWDZBQOSA-N 1 3 319.493 2.386 20 0 DEADHO C[NH+](C)CCc1ccccc1C(=O)NC[C@@H]1CCN1CC1CC1 ZINC001038554835 690856833 /nfs/dbraw/zinc/85/68/33/690856833.db2.gz HRYLPRKBEGEKBZ-KRWDZBQOSA-N 1 3 315.461 2.005 20 0 DEADHO CC1(N2CCC2)CC[NH+](C[C@H]2CC3(CO2)CCOCC3)CC1 ZINC000880475643 690906935 /nfs/dbraw/zinc/90/69/35/690906935.db2.gz GGJQULIMUFLHBL-MRXNPFEDSA-N 1 3 308.466 2.132 20 0 DEADHO O=C(NC[C@@H]1CCN1CC1CCC1)C1CC[NH+](CC2CC2)CC1 ZINC001038895167 690958326 /nfs/dbraw/zinc/95/83/26/690958326.db2.gz CENCABYWAUOBLG-SFHVURJKSA-N 1 3 319.493 2.099 20 0 DEADHO CC[C@H](C(=O)N1CCC([C@@H]2CC[N@H+](CC3CC3)C2)CC1)N(C)C ZINC001039136085 691030910 /nfs/dbraw/zinc/03/09/10/691030910.db2.gz KBANQHGFHPMCEQ-QZTJIDSGSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@H](C(=O)N1CCC([C@@H]2CC[N@@H+](CC3CC3)C2)CC1)N(C)C ZINC001039136085 691030911 /nfs/dbraw/zinc/03/09/11/691030911.db2.gz KBANQHGFHPMCEQ-QZTJIDSGSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001039165844 691037924 /nfs/dbraw/zinc/03/79/24/691037924.db2.gz SWYYHWIYMUZMOS-WMZOPIPTSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[N@H+]1CC[C@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001039165844 691037926 /nfs/dbraw/zinc/03/79/26/691037926.db2.gz SWYYHWIYMUZMOS-WMZOPIPTSA-N 1 3 321.509 2.297 20 0 DEADHO CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039237497 691063863 /nfs/dbraw/zinc/06/38/63/691063863.db2.gz INUBNLVBKKAMAK-ZBFHGGJFSA-N 1 3 304.438 2.065 20 0 DEADHO CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039237497 691063866 /nfs/dbraw/zinc/06/38/66/691063866.db2.gz INUBNLVBKKAMAK-ZBFHGGJFSA-N 1 3 304.438 2.065 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(C)C)C1 ZINC001039623137 691135305 /nfs/dbraw/zinc/13/53/05/691135305.db2.gz YUIMPZKDZFWTDC-OKZBNKHCSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(C)C)C1 ZINC001039623137 691135307 /nfs/dbraw/zinc/13/53/07/691135307.db2.gz YUIMPZKDZFWTDC-OKZBNKHCSA-N 1 3 321.509 2.438 20 0 DEADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC1 ZINC001040014951 691175712 /nfs/dbraw/zinc/17/57/12/691175712.db2.gz UYFGMKVSNOBBEN-UOVPBQLFSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)[N@@H+]1CCC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040241108 691219209 /nfs/dbraw/zinc/21/92/09/691219209.db2.gz LSGCAALDTNPYJR-SFHVURJKSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[N@H+]1CCC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040241108 691219211 /nfs/dbraw/zinc/21/92/11/691219211.db2.gz LSGCAALDTNPYJR-SFHVURJKSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC2(C1)CC[NH+](CC1CC1)CC2)N(C)C ZINC001040835209 691291397 /nfs/dbraw/zinc/29/13/97/691291397.db2.gz JNZSCOQZIVBHOU-QGZVFWFLSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@@H](C(=O)N1CCC2(C1)CC[NH+](CC(C)C)CC2)N(C)C ZINC001040853089 691293768 /nfs/dbraw/zinc/29/37/68/691293768.db2.gz IRVQZOWREQYRPE-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001041674952 691408709 /nfs/dbraw/zinc/40/87/09/691408709.db2.gz MUBQPNQREQCMIB-LPHOPBHVSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001041674952 691408711 /nfs/dbraw/zinc/40/87/11/691408711.db2.gz MUBQPNQREQCMIB-LPHOPBHVSA-N 1 3 319.493 2.195 20 0 DEADHO COC[C@H](NC[C@H]1CCC[N@H+](CC(C)C)C1)[C@@H]1CCCOC1 ZINC000883207380 691456284 /nfs/dbraw/zinc/45/62/84/691456284.db2.gz LVEFBCJJOKKITM-KURKYZTESA-N 1 3 312.498 2.386 20 0 DEADHO COC[C@H](NC[C@H]1CCC[N@@H+](CC(C)C)C1)[C@@H]1CCCOC1 ZINC000883207380 691456286 /nfs/dbraw/zinc/45/62/86/691456286.db2.gz LVEFBCJJOKKITM-KURKYZTESA-N 1 3 312.498 2.386 20 0 DEADHO COC[C@H]([NH2+]C[C@H]1CCCN(CC(C)C)C1)[C@@H]1CCCOC1 ZINC000883207380 691456289 /nfs/dbraw/zinc/45/62/89/691456289.db2.gz LVEFBCJJOKKITM-KURKYZTESA-N 1 3 312.498 2.386 20 0 DEADHO CC(C)(C(=O)N1CC[C@H]2CC[N@H+](CC3CC3)[C@@H]2C1)c1c[nH]cn1 ZINC001042314539 691567195 /nfs/dbraw/zinc/56/71/95/691567195.db2.gz RTOVEZTWEITKGT-HUUCEWRRSA-N 1 3 316.449 2.020 20 0 DEADHO CC(C)(C(=O)N1CC[C@H]2CC[N@@H+](CC3CC3)[C@@H]2C1)c1c[nH]cn1 ZINC001042314539 691567198 /nfs/dbraw/zinc/56/71/98/691567198.db2.gz RTOVEZTWEITKGT-HUUCEWRRSA-N 1 3 316.449 2.020 20 0 DEADHO CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]21 ZINC001042365108 691583027 /nfs/dbraw/zinc/58/30/27/691583027.db2.gz JICPRGKIIJFRKS-AEFFLSMTSA-N 1 3 315.461 2.305 20 0 DEADHO CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]21 ZINC001042365108 691583029 /nfs/dbraw/zinc/58/30/29/691583029.db2.gz JICPRGKIIJFRKS-AEFFLSMTSA-N 1 3 315.461 2.305 20 0 DEADHO N[C@@H](CC1CC1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000884180811 691675524 /nfs/dbraw/zinc/67/55/24/691675524.db2.gz KZMABCVDTSWAGH-KRWDZBQOSA-N 1 3 301.434 2.026 20 0 DEADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H](N)CC1CC1)c1ccccc1 ZINC000884212719 691684259 /nfs/dbraw/zinc/68/42/59/691684259.db2.gz LJDUMTUOPOMDQW-CZUORRHYSA-N 1 3 303.450 2.359 20 0 DEADHO CC(C)[C@H]([NH3+])C(C)(C)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000884408216 691731771 /nfs/dbraw/zinc/73/17/71/691731771.db2.gz AGFSVKYGSJATQQ-HOTGVXAUSA-N 1 3 319.449 2.296 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CCF)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC001044869423 691900068 /nfs/dbraw/zinc/90/00/68/691900068.db2.gz ZKEDFEVQOBIQOY-WMLDXEAASA-N 1 3 321.440 2.300 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(C)c1)N(C)C ZINC001045205662 691951122 /nfs/dbraw/zinc/95/11/22/691951122.db2.gz QYBHGQDGLCZOCQ-ROUUACIJSA-N 1 3 317.477 2.416 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]2C[NH2+]CC2CCCC2)C1 ZINC001045199813 691951268 /nfs/dbraw/zinc/95/12/68/691951268.db2.gz JBIKINSRCXYQGG-WBVHZDCISA-N 1 3 307.482 2.099 20 0 DEADHO NC(=O)[C@H]1CCCN(CCC[NH2+]C/C=C/c2cccc(F)c2)C1 ZINC000885970629 691974428 /nfs/dbraw/zinc/97/44/28/691974428.db2.gz FSGRLCLOLFTCDO-MRKPZDFFSA-N 1 3 319.424 2.016 20 0 DEADHO CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045944199 692059342 /nfs/dbraw/zinc/05/93/42/692059342.db2.gz ZNMSTCXTZMOQFB-FUHWJXTLSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045944199 692059344 /nfs/dbraw/zinc/05/93/44/692059344.db2.gz ZNMSTCXTZMOQFB-FUHWJXTLSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001045966992 692064424 /nfs/dbraw/zinc/06/44/24/692064424.db2.gz KULRBSQAVHUUQG-SJLPKXTDSA-N 1 3 307.482 2.053 20 0 DEADHO CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001045966992 692064426 /nfs/dbraw/zinc/06/44/26/692064426.db2.gz KULRBSQAVHUUQG-SJLPKXTDSA-N 1 3 307.482 2.053 20 0 DEADHO CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001045966927 692064455 /nfs/dbraw/zinc/06/44/55/692064455.db2.gz JSUVXNMBISPNSR-AEFFLSMTSA-N 1 3 307.482 2.195 20 0 DEADHO CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001045966927 692064456 /nfs/dbraw/zinc/06/44/56/692064456.db2.gz JSUVXNMBISPNSR-AEFFLSMTSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@@H]([NH2+]CC1CCCCC1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048067112 692542028 /nfs/dbraw/zinc/54/20/28/692542028.db2.gz RNQSVDDQLFLRCH-AEFFLSMTSA-N 1 3 321.509 2.489 20 0 DEADHO CCC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC001048820903 692703875 /nfs/dbraw/zinc/70/38/75/692703875.db2.gz SPIYCYRRSSSBAT-IYBDPMFKSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC001048820903 692703879 /nfs/dbraw/zinc/70/38/79/692703879.db2.gz SPIYCYRRSSSBAT-IYBDPMFKSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)(C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2C1)N1CCCCC1 ZINC001048821251 692704241 /nfs/dbraw/zinc/70/42/41/692704241.db2.gz XLXFCLFBKLKMJV-CALCHBBNSA-N 1 3 319.493 2.051 20 0 DEADHO CC(C)(C(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@@H]2C1)N1CCCCC1 ZINC001048821251 692704243 /nfs/dbraw/zinc/70/42/43/692704243.db2.gz XLXFCLFBKLKMJV-CALCHBBNSA-N 1 3 319.493 2.051 20 0 DEADHO CC[C@H](C)C[N@H+]1C[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C1 ZINC001049056137 692752953 /nfs/dbraw/zinc/75/29/53/692752953.db2.gz SFZGGEZLPPFEJL-YESZJQIVSA-N 1 3 321.509 2.155 20 0 DEADHO CC[C@H](C)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C1 ZINC001049056137 692752954 /nfs/dbraw/zinc/75/29/54/692752954.db2.gz SFZGGEZLPPFEJL-YESZJQIVSA-N 1 3 321.509 2.155 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2C1 ZINC001049231725 692795225 /nfs/dbraw/zinc/79/52/25/692795225.db2.gz JGSOZGJXGXDRFK-UOVPBQLFSA-N 1 3 319.493 2.050 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2C[N@H+](CC3CCC3)C[C@@H]2C1 ZINC001049231725 692795228 /nfs/dbraw/zinc/79/52/28/692795228.db2.gz JGSOZGJXGXDRFK-UOVPBQLFSA-N 1 3 319.493 2.050 20 0 DEADHO CC[NH+]1CCC2(CN(C(=O)C(C)(C)N3CCCCC3)C2)CC1 ZINC001050518910 693199116 /nfs/dbraw/zinc/19/91/16/693199116.db2.gz LSESUDWTMFTYEY-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000925204810 693241476 /nfs/dbraw/zinc/24/14/76/693241476.db2.gz GYAPVDFQVOHCAA-GOEBONIOSA-N 1 3 307.482 2.430 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)N2CCC(C)([NH+]3CCCCC3)CC2)CCN1C ZINC000925353956 693261595 /nfs/dbraw/zinc/26/15/95/693261595.db2.gz ITSDPCKIQKYNDJ-CVEARBPZSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)C(=O)N1CCC([NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925530634 693290239 /nfs/dbraw/zinc/29/02/39/693290239.db2.gz GESIVOMUCDIDML-MSOLQXFVSA-N 1 3 321.509 2.391 20 0 DEADHO CC1(C)[C@@H](NCCc2cn3c(n2)CCCC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925536278 693291215 /nfs/dbraw/zinc/29/12/15/693291215.db2.gz DVBANGYDSLZNGU-PVAVHDDUSA-N 1 3 302.466 2.128 20 0 DEADHO CCOC(=O)N1CCC([NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925538492 693292233 /nfs/dbraw/zinc/29/22/33/693292233.db2.gz RGMRMZFUYNOOSA-IRXDYDNUSA-N 1 3 323.481 2.365 20 0 DEADHO C[C@H]1NCCC[C@H]1[NH2+]CCNc1ccc(-c2ccccc2)nn1 ZINC000925551474 693295598 /nfs/dbraw/zinc/29/55/98/693295598.db2.gz SLHDKDAIMCDFGK-GDBMZVCRSA-N 1 3 311.433 2.286 20 0 DEADHO CCN(CC)C(=O)CCC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925597289 693306581 /nfs/dbraw/zinc/30/65/81/693306581.db2.gz MOHDFVVBKFWJNR-IRXDYDNUSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@H]1[NH2+]CCC[C@@H]1NCCCC(=O)N1CCc2ccccc21 ZINC000925599220 693307509 /nfs/dbraw/zinc/30/75/09/693307509.db2.gz XSEQMUMLMKJBCU-ZBFHGGJFSA-N 1 3 301.434 2.086 20 0 DEADHO CC(C)c1nnc2n1C[C@@H](N[C@H]1[C@@H]3CCC[NH2+][C@@H]3C1(C)C)CC2 ZINC000925636511 693314097 /nfs/dbraw/zinc/31/40/97/693314097.db2.gz SWVPAYAXMLBMDP-XRGAULLZSA-N 1 3 317.481 2.083 20 0 DEADHO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H]1[C@@H]3CCCN[C@@H]3C1(C)C)CC2 ZINC000925636511 693314102 /nfs/dbraw/zinc/31/41/02/693314102.db2.gz SWVPAYAXMLBMDP-XRGAULLZSA-N 1 3 317.481 2.083 20 0 DEADHO Cc1c([C@H](C)NC[C@@H]2CC[C@H]([NH3+])C2)nnn1-c1ccc(F)cc1 ZINC000925876447 693358573 /nfs/dbraw/zinc/35/85/73/693358573.db2.gz YBWRPSARULIRJT-LNSITVRQSA-N 1 3 317.412 2.493 20 0 DEADHO CN1C(=O)c2ccccc2[C@@H]1CN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925716071 693328592 /nfs/dbraw/zinc/32/85/92/693328592.db2.gz ADHVJMANYQTBBU-IOASZLSFSA-N 1 3 301.434 2.309 20 0 DEADHO Nc1ccnc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000925767126 693338477 /nfs/dbraw/zinc/33/84/77/693338477.db2.gz MYROPGGNBIAOGY-SJLPKXTDSA-N 1 3 310.401 2.009 20 0 DEADHO CC1(C)[C@H](NC[C@@H]2CC[C@@H](C(F)(F)F)O2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925805946 693345476 /nfs/dbraw/zinc/34/54/76/693345476.db2.gz MUVIOPAXQHBANJ-FPYNETTCSA-N 1 3 306.372 2.463 20 0 DEADHO Cc1nc(C)c([C@H](C)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)s1 ZINC000925853646 693354194 /nfs/dbraw/zinc/35/41/94/693354194.db2.gz JVPVVSOJQYUPLX-GWCFXTLKSA-N 1 3 323.462 2.096 20 0 DEADHO COc1ccsc1[C@H](C)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925858069 693355605 /nfs/dbraw/zinc/35/56/05/693355605.db2.gz RYKAOEJSTGUZFH-NWDGAFQWSA-N 1 3 324.446 2.093 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C/C=C\Cl)CC2)CC[N@@H+]1C ZINC001052393828 693523107 /nfs/dbraw/zinc/52/31/07/693523107.db2.gz RNYQYZKVKVOVEV-JWUJKIJJSA-N 1 3 313.873 2.050 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C/C=C\Cl)CC2)CC[N@H+]1C ZINC001052393828 693523110 /nfs/dbraw/zinc/52/31/10/693523110.db2.gz RNYQYZKVKVOVEV-JWUJKIJJSA-N 1 3 313.873 2.050 20 0 DEADHO CC(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001402245418 1162304494 /nfs/dbraw/zinc/30/44/94/1162304494.db2.gz VPAHPJPNBGBSDO-JKSUJKDBSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)=CC[N@H+]1CC=C(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001333407045 1150046752 /nfs/dbraw/zinc/04/67/52/1150046752.db2.gz TVULWRBIORETHZ-MRXNPFEDSA-N 1 3 305.466 2.043 20 0 DEADHO CC(C)=CC[N@@H+]1CC=C(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001333407045 1150046758 /nfs/dbraw/zinc/04/67/58/1150046758.db2.gz TVULWRBIORETHZ-MRXNPFEDSA-N 1 3 305.466 2.043 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]C[C@H](O)c2ccccc2F)C[C@@H](C)O1 ZINC001335941240 1150565439 /nfs/dbraw/zinc/56/54/39/1150565439.db2.gz JNSCBQXPMRAFAZ-RKVPGOIHSA-N 1 3 324.440 2.338 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2cc(C)ccc2F)C1 ZINC001402553811 1162390333 /nfs/dbraw/zinc/39/03/33/1162390333.db2.gz UCQFPDZZGVPYLN-WKILWMFISA-N 1 3 321.440 2.213 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2cc(C)ccc2F)C1 ZINC001402553811 1162390338 /nfs/dbraw/zinc/39/03/38/1162390338.db2.gz UCQFPDZZGVPYLN-WKILWMFISA-N 1 3 321.440 2.213 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]C[C@@H](O)CC2CCCC2)C[C@H](C)O1 ZINC001346192930 1150950199 /nfs/dbraw/zinc/95/01/99/1150950199.db2.gz YONRILBWLNVOHL-JZXOWHBKSA-N 1 3 312.498 2.407 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+]Cc2ccccc2)CCC1 ZINC001402576262 1162398519 /nfs/dbraw/zinc/39/85/19/1162398519.db2.gz JFMKNPYMLSLIRO-UHFFFAOYSA-N 1 3 303.450 2.155 20 0 DEADHO CCc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001402599377 1162406039 /nfs/dbraw/zinc/40/60/39/1162406039.db2.gz YVHPYYYWGCBXOJ-FGTMMUONSA-N 1 3 317.477 2.326 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CC2CCCC2)CC1 ZINC001380172977 1152761975 /nfs/dbraw/zinc/76/19/75/1152761975.db2.gz SBSGEMHTURIBCH-GJZGRUSLSA-N 1 3 307.482 2.288 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC2CCCC2)C1 ZINC001380671355 1152842102 /nfs/dbraw/zinc/84/21/02/1152842102.db2.gz PJVYERFZKPDCGJ-RDJZCZTQSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC(C(C)(C)C[NH+](C)C)CC2)C1 ZINC001362866378 1153119885 /nfs/dbraw/zinc/11/98/85/1153119885.db2.gz DBMSLWHOSQFKGX-HNNXBMFYSA-N 1 3 309.498 2.155 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H](C)C1CN(Cc2cccc(C)c2)C1 ZINC001381820504 1153238175 /nfs/dbraw/zinc/23/81/75/1153238175.db2.gz ZZELNNKUVPOQIC-INIZCTEOSA-N 1 3 317.477 2.273 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)C1CN(Cc2cccc(C)c2)C1 ZINC001381820504 1153238179 /nfs/dbraw/zinc/23/81/79/1153238179.db2.gz ZZELNNKUVPOQIC-INIZCTEOSA-N 1 3 317.477 2.273 20 0 DEADHO C[C@H](C(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2)N1CCCCCC1 ZINC001363137466 1153238943 /nfs/dbraw/zinc/23/89/43/1153238943.db2.gz BRAHCRKKAQYWGR-PMPSAXMXSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CCNC(=O)C2CC2)CC1 ZINC001363200124 1153263939 /nfs/dbraw/zinc/26/39/39/1153263939.db2.gz UJZFWOLHCGBXBX-INIZCTEOSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCC1CCN(CCNC(=O)C2CC2)CC1 ZINC001363200124 1153263944 /nfs/dbraw/zinc/26/39/44/1153263944.db2.gz UJZFWOLHCGBXBX-INIZCTEOSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[C@@H](C[NH2+]CC2CC(C)C2)C1)N(C)C ZINC001381968198 1153294350 /nfs/dbraw/zinc/29/43/50/1153294350.db2.gz RCEIFFYVVMOWOF-SWHNLWLKSA-N 1 3 309.498 2.103 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccccc2)C1 ZINC001382335288 1153427677 /nfs/dbraw/zinc/42/76/77/1153427677.db2.gz ACRIROWKYGZMAK-ZWKOTPCHSA-N 1 3 317.477 2.403 20 0 DEADHO C[NH+](C)CC1(O)CCN(C[C@H]2[C@H](c3ccccc3)C2(F)F)CC1 ZINC001363801685 1153638039 /nfs/dbraw/zinc/63/80/39/1153638039.db2.gz FFCNLRSVFVSLDS-HOTGVXAUSA-N 1 3 324.415 2.424 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1cccc(Cl)c1 ZINC001403006615 1162619362 /nfs/dbraw/zinc/61/93/62/1162619362.db2.gz PNNSZJKENHNMAE-KGLIPLIRSA-N 1 3 323.868 2.276 20 0 DEADHO CCCN(C)CC(=O)N(C)C1CCC([NH2+]CCC2CC2)CC1 ZINC001403044448 1162656035 /nfs/dbraw/zinc/65/60/35/1162656035.db2.gz PKZQBJMQZOLMLZ-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccccc1)C1CC1)N(C)C ZINC001389684399 1155395267 /nfs/dbraw/zinc/39/52/67/1155395267.db2.gz FKJNPRRNNABAGY-ROUUACIJSA-N 1 3 317.477 2.257 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(F)cc1)C1CC1)N(C)C ZINC001389690010 1155396322 /nfs/dbraw/zinc/39/63/22/1155396322.db2.gz KUUJEYIFCYMJNQ-SJORKVTESA-N 1 3 321.440 2.150 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001403090099 1162701550 /nfs/dbraw/zinc/70/15/50/1162701550.db2.gz VHHFNWOTPYJOES-CJNGLKHVSA-N 1 3 309.429 2.069 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001389824546 1155443921 /nfs/dbraw/zinc/44/39/21/1155443921.db2.gz HEXPEQRDANYIKU-YOEHRIQHSA-N 1 3 321.440 2.417 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001389957030 1155482848 /nfs/dbraw/zinc/48/28/48/1155482848.db2.gz IMXPJSBKJXTDOS-BBWFWOEESA-N 1 3 321.440 2.149 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2F ZINC001403102780 1162715789 /nfs/dbraw/zinc/71/57/89/1162715789.db2.gz NJNZAQPOMIZBQZ-CXAGYDPISA-N 1 3 321.440 2.249 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001390397607 1155699708 /nfs/dbraw/zinc/69/97/08/1155699708.db2.gz ICKYVVZKFCLNFM-KBPBESRZSA-N 1 3 321.440 2.465 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCc2ccccc21 ZINC001390407383 1155703906 /nfs/dbraw/zinc/70/39/06/1155703906.db2.gz UGCAIGVVEPTYPQ-PBHICJAKSA-N 1 3 315.461 2.253 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)cc1F ZINC001390468381 1155739059 /nfs/dbraw/zinc/73/90/59/1155739059.db2.gz NRVLNJQELJSIRS-WMLDXEAASA-N 1 3 323.456 2.315 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC001371474592 1155857690 /nfs/dbraw/zinc/85/76/90/1155857690.db2.gz NCLUXFMZFCCXND-CYBMUJFWSA-N 1 3 311.857 2.275 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001371610275 1155884024 /nfs/dbraw/zinc/88/40/24/1155884024.db2.gz DOVZXFWNRJFJEQ-NVXWUHKLSA-N 1 3 309.498 2.203 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2CC[N@H+](CCC3CCCC3)C2)CCC1 ZINC001391098383 1156108039 /nfs/dbraw/zinc/10/80/39/1156108039.db2.gz OYFNVNVCJHJIJM-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2CC[N@@H+](CCC3CCCC3)C2)CCC1 ZINC001391098383 1156108058 /nfs/dbraw/zinc/10/80/58/1156108058.db2.gz OYFNVNVCJHJIJM-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO Cc1ccc(C)c(C[N@@H+](C)CCNC(=O)CN2CC[C@H](C)C2)c1 ZINC001372102629 1156211944 /nfs/dbraw/zinc/21/19/44/1156211944.db2.gz MVQRJBJQDWQHRX-INIZCTEOSA-N 1 3 317.477 2.193 20 0 DEADHO Cc1ccc(C)c(C[N@H+](C)CCNC(=O)CN2CC[C@H](C)C2)c1 ZINC001372102629 1156211969 /nfs/dbraw/zinc/21/19/69/1156211969.db2.gz MVQRJBJQDWQHRX-INIZCTEOSA-N 1 3 317.477 2.193 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]CC1CC1)c1ccccc1)N(C)C ZINC001391243807 1156280477 /nfs/dbraw/zinc/28/04/77/1156280477.db2.gz LIRNJBZGFMAMSG-SJORKVTESA-N 1 3 303.450 2.184 20 0 DEADHO C[C@H](c1ccccc1F)N1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001372644875 1156630811 /nfs/dbraw/zinc/63/08/11/1156630811.db2.gz DYXHFQMMUQIIQQ-CABCVRRESA-N 1 3 321.440 2.277 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[N@H+](C)CCC1CCCC1 ZINC001403166513 1162803301 /nfs/dbraw/zinc/80/33/01/1162803301.db2.gz DHPAGECGKCPHAG-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[N@@H+](C)CCC1CCCC1 ZINC001403166513 1162803303 /nfs/dbraw/zinc/80/33/03/1162803303.db2.gz DHPAGECGKCPHAG-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001403167890 1162803644 /nfs/dbraw/zinc/80/36/44/1162803644.db2.gz OLMIQKQZZZYUOC-NSHDSACASA-N 1 3 317.886 2.336 20 0 DEADHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC1CC2(CCC2)C1 ZINC001391715720 1156727024 /nfs/dbraw/zinc/72/70/24/1156727024.db2.gz BKCMEKGLTRGNLO-NVXWUHKLSA-N 1 3 321.509 2.393 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC001403173957 1162806601 /nfs/dbraw/zinc/80/66/01/1162806601.db2.gz YVFGVNMQEGCJHQ-YJBOKZPZSA-N 1 3 317.477 2.499 20 0 DEADHO CC[C@H](C(=O)N(C)CC[NH2+][C@H]1CCc2ccc(F)cc21)N(C)C ZINC001372933346 1156824025 /nfs/dbraw/zinc/82/40/25/1156824025.db2.gz CZFJCGNPAMIMFA-DLBZAZTESA-N 1 3 321.440 2.201 20 0 DEADHO CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccsc1)N(C)C ZINC001392116961 1156871093 /nfs/dbraw/zinc/87/10/93/1156871093.db2.gz NPMBIFSWHDHJPU-DZGCQCFKSA-N 1 3 311.495 2.271 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CCC1)C(C)C ZINC001392220333 1156896198 /nfs/dbraw/zinc/89/61/98/1156896198.db2.gz YCWRUBHRYBZXCQ-IRXDYDNUSA-N 1 3 309.498 2.391 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CCCF)C1 ZINC001373248765 1156898941 /nfs/dbraw/zinc/89/89/41/1156898941.db2.gz USLZPTVEFLCTEY-CVEARBPZSA-N 1 3 313.461 2.049 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CCCF)C1 ZINC001373248765 1156898942 /nfs/dbraw/zinc/89/89/42/1156898942.db2.gz USLZPTVEFLCTEY-CVEARBPZSA-N 1 3 313.461 2.049 20 0 DEADHO CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001403224274 1162822647 /nfs/dbraw/zinc/82/26/47/1162822647.db2.gz CFNGLBGVHXIXET-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[N@H+](C)C/C=C/c1ccccc1 ZINC001403231594 1162823866 /nfs/dbraw/zinc/82/38/66/1162823866.db2.gz SNOYCKNOEQGBNE-KQPPXVQYSA-N 1 3 317.477 2.477 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[N@@H+](C)C/C=C/c1ccccc1 ZINC001403231594 1162823867 /nfs/dbraw/zinc/82/38/67/1162823867.db2.gz SNOYCKNOEQGBNE-KQPPXVQYSA-N 1 3 317.477 2.477 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001403247805 1162826952 /nfs/dbraw/zinc/82/69/52/1162826952.db2.gz AMPYUSKPMUXBAU-IAGOWNOFSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+][C@H]1CCc2c1cccc2F ZINC001392620963 1157220710 /nfs/dbraw/zinc/22/07/10/1157220710.db2.gz YTBRMTCPZMULTQ-GUYCJALGSA-N 1 3 321.440 2.248 20 0 DEADHO CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CCC2CC2)C1)N(CC)CC ZINC001373681937 1157263151 /nfs/dbraw/zinc/26/31/51/1157263151.db2.gz ODOAXBHTMZLOJM-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](CCC2CC2)C1)N(CC)CC ZINC001373681937 1157263175 /nfs/dbraw/zinc/26/31/75/1157263175.db2.gz ODOAXBHTMZLOJM-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H](NC(=O)CCC[NH+](C)C)C1CN(CCc2cccs2)C1 ZINC001403321126 1162849816 /nfs/dbraw/zinc/84/98/16/1162849816.db2.gz VBQWEAJKEAXOEC-AWEZNQCLSA-N 1 3 323.506 2.069 20 0 DEADHO C[C@H](C[N@@H+](C)CC[C@H](C)F)NC(=O)C(C)(C)N1CCCCC1 ZINC001392661361 1157310087 /nfs/dbraw/zinc/31/00/87/1157310087.db2.gz WGQITTRESXRIEB-LSDHHAIUSA-N 1 3 315.477 2.436 20 0 DEADHO C[C@H](C[N@H+](C)CC[C@H](C)F)NC(=O)C(C)(C)N1CCCCC1 ZINC001392661361 1157310097 /nfs/dbraw/zinc/31/00/97/1157310097.db2.gz WGQITTRESXRIEB-LSDHHAIUSA-N 1 3 315.477 2.436 20 0 DEADHO Cc1cccc(C[N@@H+](C)C[C@H](C)NC(=O)CN2CC[C@@H](C)C2)c1 ZINC001392683218 1157332015 /nfs/dbraw/zinc/33/20/15/1157332015.db2.gz IAOSRVZHAIHYDL-SJORKVTESA-N 1 3 317.477 2.273 20 0 DEADHO Cc1cccc(C[N@H+](C)C[C@H](C)NC(=O)CN2CC[C@@H](C)C2)c1 ZINC001392683218 1157332024 /nfs/dbraw/zinc/33/20/24/1157332024.db2.gz IAOSRVZHAIHYDL-SJORKVTESA-N 1 3 317.477 2.273 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2CCN(CC3CCCCC3)CC2)CC[N@@H+]1C ZINC001374296930 1157805666 /nfs/dbraw/zinc/80/56/66/1157805666.db2.gz ATCXEVHWBHAXIZ-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2CCN(CC3CCCCC3)CC2)CC[N@H+]1C ZINC001374296930 1157805667 /nfs/dbraw/zinc/80/56/67/1157805667.db2.gz ATCXEVHWBHAXIZ-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN(C)CCC)C2 ZINC001393394302 1157819954 /nfs/dbraw/zinc/81/99/54/1157819954.db2.gz ISXSFJNSBJROPZ-BJWYYQGGSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN(C)CCC)C2 ZINC001393394302 1157819956 /nfs/dbraw/zinc/81/99/56/1157819956.db2.gz ISXSFJNSBJROPZ-BJWYYQGGSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001393654008 1157894777 /nfs/dbraw/zinc/89/47/77/1157894777.db2.gz ZATZBXANNXXSKM-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001393654008 1157894779 /nfs/dbraw/zinc/89/47/79/1157894779.db2.gz ZATZBXANNXXSKM-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001393992590 1158141175 /nfs/dbraw/zinc/14/11/75/1158141175.db2.gz HXLZYWWJILITLR-CABCVRRESA-N 1 3 309.498 2.391 20 0 DEADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC001394545662 1158624994 /nfs/dbraw/zinc/62/49/94/1158624994.db2.gz WFOORRZZSIXJEG-AWEZNQCLSA-N 1 3 309.429 2.104 20 0 DEADHO CC[C@@H](F)CNC1(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001375434553 1158676430 /nfs/dbraw/zinc/67/64/30/1158676430.db2.gz DFAPPSNYCFUENU-HUUCEWRRSA-N 1 3 313.461 2.093 20 0 DEADHO CC[C@@H](F)CNC1(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001375434553 1158676434 /nfs/dbraw/zinc/67/64/34/1158676434.db2.gz DFAPPSNYCFUENU-HUUCEWRRSA-N 1 3 313.461 2.093 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCC2(NC[C@H](F)CC)CC2)C1 ZINC001375481433 1158746554 /nfs/dbraw/zinc/74/65/54/1158746554.db2.gz UMHYCIVRJXMQOA-HUUCEWRRSA-N 1 3 313.461 2.095 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)NCC2(NC[C@H](F)CC)CC2)C1 ZINC001375481433 1158746568 /nfs/dbraw/zinc/74/65/68/1158746568.db2.gz UMHYCIVRJXMQOA-HUUCEWRRSA-N 1 3 313.461 2.095 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2)C[C@@H]1C ZINC001375741104 1158858698 /nfs/dbraw/zinc/85/86/98/1158858698.db2.gz PBLCWULLSRAKFM-WMZOPIPTSA-N 1 3 317.477 2.496 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@H]1CCCN1C(=O)CN(C)CC(C)(C)C ZINC001375759822 1158863716 /nfs/dbraw/zinc/86/37/16/1158863716.db2.gz GXXPUMMJDODXCF-HUUCEWRRSA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@@H]1CCCN1C(=O)CN(C)CC(C)(C)C ZINC001375759820 1158864063 /nfs/dbraw/zinc/86/40/63/1158864063.db2.gz GXXPUMMJDODXCF-CABCVRRESA-N 1 3 315.477 2.293 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC2(C)CC[NH+](CC3CCC3)CC2)C1 ZINC001375778808 1158869295 /nfs/dbraw/zinc/86/92/95/1158869295.db2.gz PZYFZLDAMJMQMG-OAHLLOKOSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]Cc1ccsc1 ZINC001403551219 1162992109 /nfs/dbraw/zinc/99/21/09/1162992109.db2.gz IUXWVUVEQRKENP-ZDUSSCGKSA-N 1 3 309.479 2.169 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@](C)(C[NH2+]CC2CCC2)C1)N(C)C ZINC001375886734 1158920709 /nfs/dbraw/zinc/92/07/09/1158920709.db2.gz HQKIHUDTWWXADT-SJLPKXTDSA-N 1 3 309.498 2.201 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H](C[N@H+](C)C[C@H](F)CC)C1 ZINC001376294850 1159322129 /nfs/dbraw/zinc/32/21/29/1159322129.db2.gz QFKPLKYJJXDUTL-HZPDHXFCSA-N 1 3 315.477 2.247 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H](C[N@@H+](C)C[C@H](F)CC)C1 ZINC001376294850 1159322137 /nfs/dbraw/zinc/32/21/37/1159322137.db2.gz QFKPLKYJJXDUTL-HZPDHXFCSA-N 1 3 315.477 2.247 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CCC(F)(F)F)C1 ZINC001376352494 1159353249 /nfs/dbraw/zinc/35/32/49/1159353249.db2.gz YKELIROEBBXJSK-OLZOCXBDSA-N 1 3 323.403 2.107 20 0 DEADHO Cc1cccc(C)c1C[NH2+][C@@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001376795052 1159802203 /nfs/dbraw/zinc/80/22/03/1159802203.db2.gz ATZDPGGGNHWFAQ-PBHICJAKSA-N 1 3 317.477 2.240 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001376956787 1159856017 /nfs/dbraw/zinc/85/60/17/1159856017.db2.gz NDMGWIXXDPARRJ-HNNXBMFYSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@H](C(=O)N(C)CCC[N@H+](C)CC1CC(C)C1)N(C)C ZINC001376971854 1159860224 /nfs/dbraw/zinc/86/02/24/1159860224.db2.gz PDTKZRHAIWYAEH-OFLPRAFFSA-N 1 3 311.514 2.399 20 0 DEADHO CC(C)[C@H](C(=O)N(C)CCC[N@@H+](C)CC1CC(C)C1)N(C)C ZINC001376971854 1159860227 /nfs/dbraw/zinc/86/02/27/1159860227.db2.gz PDTKZRHAIWYAEH-OFLPRAFFSA-N 1 3 311.514 2.399 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001376981911 1159863620 /nfs/dbraw/zinc/86/36/20/1159863620.db2.gz LRZKLDVRJGGUOQ-STQMWFEESA-N 1 3 323.403 2.298 20 0 DEADHO C[C@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001397126853 1160006425 /nfs/dbraw/zinc/00/64/25/1160006425.db2.gz AIGZKPZPLLXAND-KKUMJFAQSA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001397128612 1160007321 /nfs/dbraw/zinc/00/73/21/1160007321.db2.gz JAEDMULTBLILCS-MHORFTMASA-N 1 3 323.525 2.495 20 0 DEADHO CC(C)C[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001397128614 1160007897 /nfs/dbraw/zinc/00/78/97/1160007897.db2.gz JAEDMULTBLILCS-XMTFNYHQSA-N 1 3 323.525 2.495 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C[C@@H]1C)CC[NH+](C(C)C)CC2 ZINC001397175837 1160033563 /nfs/dbraw/zinc/03/35/63/1160033563.db2.gz NUBTYPFMDSXECU-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](CCCF)CC(C)(C)C1 ZINC001397275043 1160100703 /nfs/dbraw/zinc/10/07/03/1160100703.db2.gz UTPKOJKTSYQNQR-OAHLLOKOSA-N 1 3 315.477 2.295 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](CCCF)CC(C)(C)C1 ZINC001397275043 1160100721 /nfs/dbraw/zinc/10/07/21/1160100721.db2.gz UTPKOJKTSYQNQR-OAHLLOKOSA-N 1 3 315.477 2.295 20 0 DEADHO C[NH+](C)CCC(=O)N[C@H]1CCN(C/C=C\Cl)CC(C)(C)C1 ZINC001397275143 1160101011 /nfs/dbraw/zinc/10/10/11/1160101011.db2.gz VFKOEOVXCWVFOV-PODYEWJSSA-N 1 3 315.889 2.297 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC(C)([NH2+]CC[C@H](C)F)CC1)N(C)C ZINC001377294553 1160150852 /nfs/dbraw/zinc/15/08/52/1160150852.db2.gz WIFVCXAAROOBEZ-GJZGRUSLSA-N 1 3 315.477 2.291 20 0 DEADHO CN(C[C@@H]1CCN1CC1CCC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001397554696 1160324716 /nfs/dbraw/zinc/32/47/16/1160324716.db2.gz VAQJROKURNLXDE-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C[C@@H]1CC[N@@H+]1CC1CCC1)C(=O)C(C)(C)N1CCCC1 ZINC001397554696 1160324722 /nfs/dbraw/zinc/32/47/22/1160324722.db2.gz VAQJROKURNLXDE-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C[C@@H]1CC[N@H+]1CC1CCC1)C(=O)C(C)(C)N1CCCC1 ZINC001397554696 1160324728 /nfs/dbraw/zinc/32/47/28/1160324728.db2.gz VAQJROKURNLXDE-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001397669442 1160390688 /nfs/dbraw/zinc/39/06/88/1160390688.db2.gz WCJOVLMGSXQCTN-KBAYOESNSA-N 1 3 321.509 2.393 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@H](C)NC/C(Cl)=C\Cl)[NH+](C)C ZINC001377513398 1160455395 /nfs/dbraw/zinc/45/53/95/1160455395.db2.gz MCDLFYSFYTUUET-NUBPSFNZSA-N 1 3 324.296 2.376 20 0 DEADHO CC[C@H](F)C[N@@H+]1CC[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001377701542 1160749262 /nfs/dbraw/zinc/74/92/62/1160749262.db2.gz QMIZZNZGXXAFCB-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](F)C[N@H+]1CC[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001377701542 1160749270 /nfs/dbraw/zinc/74/92/70/1160749270.db2.gz QMIZZNZGXXAFCB-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO Cc1ccc(CN2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001398236699 1160831131 /nfs/dbraw/zinc/83/11/31/1160831131.db2.gz QNCPGZDIAFNOGI-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H](C[N@H+](C)CCC2CC2)C1)N(C)C ZINC001398455098 1160896375 /nfs/dbraw/zinc/89/63/75/1160896375.db2.gz PBCCHOGBVDZQER-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H](C[N@@H+](C)CCC2CC2)C1)N(C)C ZINC001398455098 1160896376 /nfs/dbraw/zinc/89/63/76/1160896376.db2.gz PBCCHOGBVDZQER-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO Cc1ccccc1[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001378038520 1160948577 /nfs/dbraw/zinc/94/85/77/1160948577.db2.gz ALYVJTYDUPTQGZ-ULQDDVLXSA-N 1 3 315.461 2.293 20 0 DEADHO Cc1cccc(C[NH2+][C@H](C)CCNC(=O)CN2CC[C@H](C)C2)c1 ZINC001399385432 1161373294 /nfs/dbraw/zinc/37/32/94/1161373294.db2.gz FHHDBUQDZKGIRF-DLBZAZTESA-N 1 3 317.477 2.321 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@@H](C)NC/C(Cl)=C\Cl)[NH+](C)C ZINC001399418487 1161385124 /nfs/dbraw/zinc/38/51/24/1161385124.db2.gz MCDLFYSFYTUUET-BQFYNABESA-N 1 3 324.296 2.376 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)C2(C[NH+](C)C)CC2)cc1C ZINC001399564571 1161456044 /nfs/dbraw/zinc/45/60/44/1161456044.db2.gz CEAJHCVDYQZQAQ-UHFFFAOYSA-N 1 3 317.477 2.193 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C)c(C)c1 ZINC001399638728 1161493893 /nfs/dbraw/zinc/49/38/93/1161493893.db2.gz RHOFVIPYXCZTDW-GOSISDBHSA-N 1 3 319.493 2.438 20 0 DEADHO Cc1cccc([C@H](C)[NH2+]CCN(C)C(=O)CN2CC[C@H](C)C2)c1 ZINC001400067642 1161645368 /nfs/dbraw/zinc/64/53/68/1161645368.db2.gz LVZJCJYEGJXBFA-IRXDYDNUSA-N 1 3 317.477 2.446 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001400199629 1161684667 /nfs/dbraw/zinc/68/46/67/1161684667.db2.gz JFEKLIJKFKMMLB-MRXNPFEDSA-N 1 3 318.465 2.279 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001400199629 1161684670 /nfs/dbraw/zinc/68/46/70/1161684670.db2.gz JFEKLIJKFKMMLB-MRXNPFEDSA-N 1 3 318.465 2.279 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CCN(CCCF)C1)[NH+]1CCCCC1 ZINC001400683382 1161800129 /nfs/dbraw/zinc/80/01/29/1161800129.db2.gz DCRQDNUNXHAKRS-HZPDHXFCSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CC2CCCC2)C1)N(C)C ZINC001400740756 1161812865 /nfs/dbraw/zinc/81/28/65/1161812865.db2.gz KEGCKXWGMWZUJA-SJORKVTESA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCC2)C1)N(C)C ZINC001400740756 1161812866 /nfs/dbraw/zinc/81/28/66/1161812866.db2.gz KEGCKXWGMWZUJA-SJORKVTESA-N 1 3 309.498 2.296 20 0 DEADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1csc(C)c1 ZINC001401262990 1161909146 /nfs/dbraw/zinc/90/91/46/1161909146.db2.gz SSIAJQXAYYQFBL-CYBMUJFWSA-N 1 3 311.495 2.335 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]([NH2+]CC1CCCC1)C(C)C)N(C)C ZINC001401336108 1161936743 /nfs/dbraw/zinc/93/67/43/1161936743.db2.gz PNGIGJOWYRLVRP-IAGOWNOFSA-N 1 3 311.514 2.493 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccccc1C)N(C)C ZINC001401691470 1162077552 /nfs/dbraw/zinc/07/75/52/1162077552.db2.gz BRFLIZGQSQABBX-YQQAZPJKSA-N 1 3 305.466 2.491 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001401986177 1162207484 /nfs/dbraw/zinc/20/74/84/1162207484.db2.gz MSUKPDGATWAZEE-OWCLPIDISA-N 1 3 307.482 2.001 20 0 DEADHO CCc1ccccc1C[N@H+](C)CCNC(=O)CN(C)C(C)C ZINC001403791584 1163190519 /nfs/dbraw/zinc/19/05/19/1163190519.db2.gz QULMUMQAFKJSRL-UHFFFAOYSA-N 1 3 305.466 2.137 20 0 DEADHO CCc1ccccc1C[N@@H+](C)CCNC(=O)CN(C)C(C)C ZINC001403791584 1163190529 /nfs/dbraw/zinc/19/05/29/1163190529.db2.gz QULMUMQAFKJSRL-UHFFFAOYSA-N 1 3 305.466 2.137 20 0 DEADHO C[C@H](NC1CC(N(C)C(=O)CC[NH+](C)C)C1)c1ccccc1F ZINC001404025035 1163383392 /nfs/dbraw/zinc/38/33/92/1163383392.db2.gz XCVVYSCZPCZSRK-NFOMZHRRSA-N 1 3 321.440 2.417 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CC[C@@H]([NH2+]C[C@@H](F)CC)CC1)N(C)C ZINC001405513952 1164128512 /nfs/dbraw/zinc/12/85/12/1164128512.db2.gz HEWOYQXJBBCCQL-ZQDZILKHSA-N 1 3 301.450 2.092 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCc2ccc(C[NH2+]CC3CC3)cc2)C1 ZINC001405572198 1164154162 /nfs/dbraw/zinc/15/41/62/1164154162.db2.gz RSUFFLKMWAYYRT-OAHLLOKOSA-N 1 3 315.461 2.144 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001405658087 1164177258 /nfs/dbraw/zinc/17/72/58/1164177258.db2.gz ATNSQHNXWPVBGI-OAHLLOKOSA-N 1 3 317.477 2.321 20 0 DEADHO CCc1ccc(C[NH2+]C[C@@H](C)NC(=O)CN(C)C2CCC2)cc1 ZINC001406367637 1164555578 /nfs/dbraw/zinc/55/55/78/1164555578.db2.gz MCKGUTPKMWZJAA-OAHLLOKOSA-N 1 3 317.477 2.328 20 0 DEADHO Cc1cc(CN(C)C[C@@H](C)NC(=O)CC[NH+](C)C)c(C)s1 ZINC001406656049 1164767799 /nfs/dbraw/zinc/76/77/99/1164767799.db2.gz RLZDXAGCZGYQPI-GFCCVEGCSA-N 1 3 311.495 2.253 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2CCCC(C)C)CC[N@@H+]1C ZINC001406841465 1164848569 /nfs/dbraw/zinc/84/85/69/1164848569.db2.gz ZWRAGUGBSKQNDN-YESZJQIVSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2CCCC(C)C)CC[N@H+]1C ZINC001406841465 1164848573 /nfs/dbraw/zinc/84/85/73/1164848573.db2.gz ZWRAGUGBSKQNDN-YESZJQIVSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)CCN1Cc1ccc(F)cc1 ZINC001408181834 1165521362 /nfs/dbraw/zinc/52/13/62/1165521362.db2.gz KVZJZJZTOYAAIV-WMLDXEAASA-N 1 3 321.440 2.247 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001417790922 1167215760 /nfs/dbraw/zinc/21/57/60/1167215760.db2.gz IMRNVKMQEDFPAJ-YHUYYLMFSA-N 1 3 313.461 2.093 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001417790920 1167215943 /nfs/dbraw/zinc/21/59/43/1167215943.db2.gz IMRNVKMQEDFPAJ-KLHDSHLOSA-N 1 3 313.461 2.093 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2C[N@H+](C)CCCF)C1 ZINC001417857931 1167264887 /nfs/dbraw/zinc/26/48/87/1167264887.db2.gz NLKMMSKNAMYKSG-CVEARBPZSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2C[N@@H+](C)CCCF)C1 ZINC001417857931 1167264890 /nfs/dbraw/zinc/26/48/90/1167264890.db2.gz NLKMMSKNAMYKSG-CVEARBPZSA-N 1 3 313.461 2.001 20 0 DEADHO CCCN(C(=O)CN1CC[C@H](C)C1)C1CC[NH+](C(C)C)CC1 ZINC001417958545 1167327901 /nfs/dbraw/zinc/32/79/01/1167327901.db2.gz JJZBVILBWBQWRB-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]C/C=C\c2ccccc2)C1)N(C)C ZINC001418046374 1167381081 /nfs/dbraw/zinc/38/10/81/1167381081.db2.gz SPMKAPXCIRPKGY-MPDPAFJNSA-N 1 3 315.461 2.231 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001418136030 1167434196 /nfs/dbraw/zinc/43/41/96/1167434196.db2.gz KLUHFCMECSKARZ-QGZVFWFLSA-N 1 3 309.498 2.347 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001418136030 1167434201 /nfs/dbraw/zinc/43/42/01/1167434201.db2.gz KLUHFCMECSKARZ-QGZVFWFLSA-N 1 3 309.498 2.347 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001418442381 1167658862 /nfs/dbraw/zinc/65/88/62/1167658862.db2.gz OCPVCCXEQCEIRQ-HNNXBMFYSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1C ZINC001418462119 1167675496 /nfs/dbraw/zinc/67/54/96/1167675496.db2.gz RXUCKXJFKZIFAU-SJLPKXTDSA-N 1 3 317.477 2.192 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1C ZINC001418462119 1167675502 /nfs/dbraw/zinc/67/55/02/1167675502.db2.gz RXUCKXJFKZIFAU-SJLPKXTDSA-N 1 3 317.477 2.192 20 0 DEADHO Cc1cccc(CN(C)CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC001418472371 1167684300 /nfs/dbraw/zinc/68/43/00/1167684300.db2.gz ZFFSOBBUNYKIGB-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO Cc1cccc(CN(C)CCNC(=O)CC[C@@H]2CCC[N@H+]2C)c1 ZINC001418472371 1167684305 /nfs/dbraw/zinc/68/43/05/1167684305.db2.gz ZFFSOBBUNYKIGB-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO Cc1cccc(CN(C)CCNC(=O)C23CCC[NH+]2CCC3)c1 ZINC001418476917 1167686971 /nfs/dbraw/zinc/68/69/71/1167686971.db2.gz HLLFSXIIWBTIIT-UHFFFAOYSA-N 1 3 315.461 2.171 20 0 DEADHO C[C@@H](c1ccc(F)cc1)N(C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001418493094 1167712176 /nfs/dbraw/zinc/71/21/76/1167712176.db2.gz FZWWHOHGFFYYLA-CABCVRRESA-N 1 3 321.440 2.277 20 0 DEADHO C[C@@H](c1ccc(F)cc1)N(C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001418493094 1167712187 /nfs/dbraw/zinc/71/21/87/1167712187.db2.gz FZWWHOHGFFYYLA-CABCVRRESA-N 1 3 321.440 2.277 20 0 DEADHO C[C@@H](c1cccc(F)c1)N(C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001418497265 1167719541 /nfs/dbraw/zinc/71/95/41/1167719541.db2.gz YKWNINPRJFQWOI-CABCVRRESA-N 1 3 321.440 2.277 20 0 DEADHO C[C@@H](c1cccc(F)c1)N(C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001418497265 1167719552 /nfs/dbraw/zinc/71/95/52/1167719552.db2.gz YKWNINPRJFQWOI-CABCVRRESA-N 1 3 321.440 2.277 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CC[N@H+](CCc2cccs2)C1)N(C)C ZINC001418680681 1167882864 /nfs/dbraw/zinc/88/28/64/1167882864.db2.gz ICVFGGCDKRNDEH-GOEBONIOSA-N 1 3 323.506 2.069 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2cccs2)C1)N(C)C ZINC001418680681 1167882867 /nfs/dbraw/zinc/88/28/67/1167882867.db2.gz ICVFGGCDKRNDEH-GOEBONIOSA-N 1 3 323.506 2.069 20 0 DEADHO Cc1ccc(CN(CCNC(=O)CC[NH+](C)C)C2CC2)cc1C ZINC001418777275 1167956679 /nfs/dbraw/zinc/95/66/79/1167956679.db2.gz JWBYWTJYRLGDIY-UHFFFAOYSA-N 1 3 317.477 2.336 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](CC1CCC1)C1CC1 ZINC001418798518 1167968689 /nfs/dbraw/zinc/96/86/89/1167968689.db2.gz IGAFKOPQNKXDHX-QGZVFWFLSA-N 1 3 307.482 2.242 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](CC1CCC1)C1CC1 ZINC001418798518 1167968693 /nfs/dbraw/zinc/96/86/93/1167968693.db2.gz IGAFKOPQNKXDHX-QGZVFWFLSA-N 1 3 307.482 2.242 20 0 DEADHO CC[NH2+]CC1(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CCCC1 ZINC001419315102 1168394280 /nfs/dbraw/zinc/39/42/80/1168394280.db2.gz OEXCLFSJZARGIA-KRWDZBQOSA-N 1 3 313.461 2.237 20 0 DEADHO CCc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H](CC)N(C)C)C2)cc1 ZINC001419522356 1168572206 /nfs/dbraw/zinc/57/22/06/1168572206.db2.gz TWAIPICRHMXEPJ-KSZLIROESA-N 1 3 317.477 2.326 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](CC)CC1CC2(CCC2)C1)N(C)C ZINC001420394609 1169464401 /nfs/dbraw/zinc/46/44/01/1169464401.db2.gz DLCBPSLVEXNBFN-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](CC)CC1CC2(CCC2)C1)N(C)C ZINC001420394609 1169464405 /nfs/dbraw/zinc/46/44/05/1169464405.db2.gz DLCBPSLVEXNBFN-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[N@@H+](C[C@@H](C)CC(C)C)C1 ZINC001420558138 1169795032 /nfs/dbraw/zinc/79/50/32/1169795032.db2.gz SOOYUIMVASKGPC-GOEBONIOSA-N 1 3 320.481 2.381 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001420558138 1169795040 /nfs/dbraw/zinc/79/50/40/1169795040.db2.gz SOOYUIMVASKGPC-GOEBONIOSA-N 1 3 320.481 2.381 20 0 DEADHO CC(C)CCCN1CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001420850970 1171279025 /nfs/dbraw/zinc/27/90/25/1171279025.db2.gz QSKGGVATIUZZSF-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CC1 ZINC001420991225 1171408142 /nfs/dbraw/zinc/40/81/42/1171408142.db2.gz AGROPJCNPUTWBR-OAHLLOKOSA-N 1 3 303.450 2.328 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC001421007148 1171424581 /nfs/dbraw/zinc/42/45/81/1171424581.db2.gz VRQIDVIZWQCWBG-CYBMUJFWSA-N 1 3 317.424 2.000 20 0 DEADHO CC(C)N(C)CC(=O)NC1(C)CC[NH+](CC[C@H](C)F)CC1 ZINC001421160932 1171541547 /nfs/dbraw/zinc/54/15/47/1171541547.db2.gz VWDUURAELQBYFQ-AWEZNQCLSA-N 1 3 301.450 2.045 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001421179236 1171556084 /nfs/dbraw/zinc/55/60/84/1171556084.db2.gz OYYLDVVFSUFPNU-SFHVURJKSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@]2(CC[N@H+](C(C)C)C2)C1 ZINC001421179236 1171556089 /nfs/dbraw/zinc/55/60/89/1171556089.db2.gz OYYLDVVFSUFPNU-SFHVURJKSA-N 1 3 309.498 2.441 20 0 DEADHO C[NH+](C)CCC(=O)NC1(CNCc2ccccc2F)CCCC1 ZINC001421510745 1171827864 /nfs/dbraw/zinc/82/78/64/1171827864.db2.gz GJZGJADUOBCYMB-UHFFFAOYSA-N 1 3 321.440 2.296 20 0 DEADHO CC(C)[NH2+]Cc1ccc(CNC(=O)CN(C)C2CCC2)cc1 ZINC001421627327 1171873686 /nfs/dbraw/zinc/87/36/86/1171873686.db2.gz VRJMBKCOXYXMIS-UHFFFAOYSA-N 1 3 303.450 2.285 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccsc1 ZINC001421697275 1171909507 /nfs/dbraw/zinc/90/95/07/1171909507.db2.gz FMBDXJJISUQFKX-ZBFHGGJFSA-N 1 3 323.506 2.464 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C)cc1C)N(C)C ZINC001421756426 1171967911 /nfs/dbraw/zinc/96/79/11/1171967911.db2.gz DPGVGRINXYZDMX-QAPCUYQASA-N 1 3 319.493 2.486 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]CCc2ccccc2)CCC1)N(C)C ZINC001421787751 1171997470 /nfs/dbraw/zinc/99/74/70/1171997470.db2.gz BVEIMAMPJFSBRW-QGZVFWFLSA-N 1 3 317.477 2.198 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]CC2CC(C)C2)CCCC1 ZINC001421850443 1172043801 /nfs/dbraw/zinc/04/38/01/1172043801.db2.gz WZQVANYIINJQMQ-UHFFFAOYSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1NCc1ccccc1F ZINC001422038779 1172248504 /nfs/dbraw/zinc/24/85/04/1172248504.db2.gz HSHSSIKJKOMSIC-YOEHRIQHSA-N 1 3 321.440 2.104 20 0 DEADHO CC[C@@H](C(=O)N1CCC(CC[N@H+](C)CCCF)CC1)N(C)C ZINC001422041003 1172249713 /nfs/dbraw/zinc/24/97/13/1172249713.db2.gz MKQPTVSGAVHMRQ-INIZCTEOSA-N 1 3 315.477 2.247 20 0 DEADHO CC[C@@H](C(=O)N1CCC(CC[N@@H+](C)CCCF)CC1)N(C)C ZINC001422041003 1172249721 /nfs/dbraw/zinc/24/97/21/1172249721.db2.gz MKQPTVSGAVHMRQ-INIZCTEOSA-N 1 3 315.477 2.247 20 0 DEADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+]Cc2cccc(F)c2)C1 ZINC001422292638 1172461345 /nfs/dbraw/zinc/46/13/45/1172461345.db2.gz SOSYHWANNMQRLB-UHFFFAOYSA-N 1 3 321.440 2.150 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[N@H+](C)CC1CCCCC1 ZINC001422567378 1172716954 /nfs/dbraw/zinc/71/69/54/1172716954.db2.gz VQBBNNVLLDJRQL-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[N@@H+](C)CC1CCCCC1 ZINC001422567378 1172716958 /nfs/dbraw/zinc/71/69/58/1172716958.db2.gz VQBBNNVLLDJRQL-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](CNC(=O)CC[NH+](C)C)N(C)[C@@H](C)c1cccc(F)c1 ZINC001422569410 1172717734 /nfs/dbraw/zinc/71/77/34/1172717734.db2.gz UGAAQPNTNJTWPV-KGLIPLIRSA-N 1 3 309.429 2.275 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCc1ccccc1F ZINC001422652830 1172792021 /nfs/dbraw/zinc/79/20/21/1172792021.db2.gz YSNKBGMOBGDSQO-WMLDXEAASA-N 1 3 321.440 2.294 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCc1ccccc1F ZINC001422652830 1172792026 /nfs/dbraw/zinc/79/20/26/1172792026.db2.gz YSNKBGMOBGDSQO-WMLDXEAASA-N 1 3 321.440 2.294 20 0 DEADHO CC[C@H](F)CN1CCCCC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001422714256 1172826067 /nfs/dbraw/zinc/82/60/67/1172826067.db2.gz FTGWTNDNJSGPRO-JKSUJKDBSA-N 1 3 315.477 2.437 20 0 DEADHO CC[C@H](F)CN1CCCCC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001422714256 1172826068 /nfs/dbraw/zinc/82/60/68/1172826068.db2.gz FTGWTNDNJSGPRO-JKSUJKDBSA-N 1 3 315.477 2.437 20 0 DEADHO COc1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC001422739086 1172836921 /nfs/dbraw/zinc/83/69/21/1172836921.db2.gz WALIXTUPCOAPBL-QZTJIDSGSA-N 1 3 304.434 2.163 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)CN(C)Cc1ccc(F)cc1)[NH+](C)C ZINC001422829815 1172879164 /nfs/dbraw/zinc/87/91/64/1172879164.db2.gz WBWGYSLEWZJIGM-YOEHRIQHSA-N 1 3 323.456 2.348 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]Cc1cccc(F)c1)C1CC1 ZINC001423067466 1173054669 /nfs/dbraw/zinc/05/46/69/1173054669.db2.gz XNWAXHNSLRDASX-KRWDZBQOSA-N 1 3 321.440 2.150 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H](C)NC/C=C/Cl)C1 ZINC001423129049 1173098107 /nfs/dbraw/zinc/09/81/07/1173098107.db2.gz VOYIKWYPCCFUHV-OSZGCLPASA-N 1 3 315.889 2.297 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@@H](C)NC/C=C/Cl)C1 ZINC001423129049 1173098108 /nfs/dbraw/zinc/09/81/08/1173098108.db2.gz VOYIKWYPCCFUHV-OSZGCLPASA-N 1 3 315.889 2.297 20 0 DEADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1csc(C)c1 ZINC001423151188 1173121496 /nfs/dbraw/zinc/12/14/96/1173121496.db2.gz BMHKUHALBMGRAP-ZDUSSCGKSA-N 1 3 311.495 2.335 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC001423416740 1173339232 /nfs/dbraw/zinc/33/92/32/1173339232.db2.gz KPMZMQRXJVCQBR-GDBMZVCRSA-N 1 3 323.506 2.464 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC2CCCC2)C[C@H]1C ZINC001423454969 1173359180 /nfs/dbraw/zinc/35/91/80/1173359180.db2.gz ROPZKEJXIGJALF-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)C1C[NH+](CCC2CCCC2)C1 ZINC001425233105 1174250074 /nfs/dbraw/zinc/25/00/74/1174250074.db2.gz SLMLNTHTKLISDK-HNNXBMFYSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(C)c2)C1)N(C)C ZINC001425398541 1174307125 /nfs/dbraw/zinc/30/71/25/1174307125.db2.gz BHCHLSVDLOLQDL-KZNAEPCWSA-N 1 3 317.477 2.320 20 0 DEADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccccc1 ZINC001425553968 1174368589 /nfs/dbraw/zinc/36/85/89/1174368589.db2.gz JFMFQXZZYCSMSO-HNNXBMFYSA-N 1 3 303.450 2.107 20 0 DEADHO Cc1ccc(F)c(CN[C@@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001425688424 1174461305 /nfs/dbraw/zinc/46/13/05/1174461305.db2.gz WMVXERXRBKJAAI-LSDHHAIUSA-N 1 3 321.440 2.022 20 0 DEADHO Cc1ccc(F)c(CN[C@@H](C)CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001425688424 1174461309 /nfs/dbraw/zinc/46/13/09/1174461309.db2.gz WMVXERXRBKJAAI-LSDHHAIUSA-N 1 3 321.440 2.022 20 0 DEADHO C[C@H](CC[NH+](C)C)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001433788263 1177993924 /nfs/dbraw/zinc/99/39/24/1177993924.db2.gz CSJSFQDBJRTQDN-JFIYKMOQSA-N 1 3 317.477 2.353 20 0 DEADHO CC[C@@H](C)C[C@H](CO)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001434527169 1178774874 /nfs/dbraw/zinc/77/48/74/1178774874.db2.gz MFHURTXKKDWMTR-RZZCCWGQSA-N 1 3 312.498 2.407 20 0 DEADHO C[C@@H]1COCC[C@H]1C[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001434529782 1178782087 /nfs/dbraw/zinc/78/20/87/1178782087.db2.gz OFPQONHYNOEHKB-VEZWFGLTSA-N 1 3 310.482 2.282 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+]C[C@@H]2CCCC[C@H]2O)CC1 ZINC001434529614 1178783854 /nfs/dbraw/zinc/78/38/54/1178783854.db2.gz HCLAZWYPENOSCI-PBHCIXSXSA-N 1 3 310.482 2.161 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001436368849 1179066040 /nfs/dbraw/zinc/06/60/40/1179066040.db2.gz QOJJPJKVZPYLSX-CALCHBBNSA-N 1 3 303.450 2.011 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCCC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001436472061 1179125357 /nfs/dbraw/zinc/12/53/57/1179125357.db2.gz ODTGNDAKQORJSH-VIHMKRCTSA-N 1 3 315.889 2.440 20 0 DEADHO CC(C)CCC[NH+]1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC001436671971 1179179246 /nfs/dbraw/zinc/17/92/46/1179179246.db2.gz XEXXMPSJGMOVNQ-UHFFFAOYSA-N 1 3 306.454 2.311 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001436978265 1179327807 /nfs/dbraw/zinc/32/78/07/1179327807.db2.gz ZBGBJHLJXFPNNZ-IYBDPMFKSA-N 1 3 321.440 2.294 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001436978265 1179327815 /nfs/dbraw/zinc/32/78/15/1179327815.db2.gz ZBGBJHLJXFPNNZ-IYBDPMFKSA-N 1 3 321.440 2.294 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001437248121 1179655160 /nfs/dbraw/zinc/65/51/60/1179655160.db2.gz NMWNLKBXXFMYSN-INIZCTEOSA-N 1 3 305.466 2.240 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+][C@H]1CCc2c1cccc2F ZINC001437264061 1179675615 /nfs/dbraw/zinc/67/56/15/1179675615.db2.gz UTADVDZZXNBDRV-GUYCJALGSA-N 1 3 321.440 2.248 20 0 DEADHO C[C@H](c1ccccc1)N(C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001437479269 1179818049 /nfs/dbraw/zinc/81/80/49/1179818049.db2.gz CENSINRMOPIUJT-MRXNPFEDSA-N 1 3 315.461 2.424 20 0 DEADHO Cc1ccc(CN2CC[C@H](CNC(=O)CC[NH+](C)C)C2)cc1F ZINC001437718012 1179899303 /nfs/dbraw/zinc/89/93/03/1179899303.db2.gz CYTPSWLIILIKCY-MRXNPFEDSA-N 1 3 321.440 2.024 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@H]1CC[N@H+](C/C=C/Cl)C1)N(C)C ZINC001437929833 1180086564 /nfs/dbraw/zinc/08/65/64/1180086564.db2.gz ITXSFYLWNVBKLP-QKNOVVFDSA-N 1 3 315.889 2.153 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@H]1CC[N@@H+](C/C=C/Cl)C1)N(C)C ZINC001437929833 1180086576 /nfs/dbraw/zinc/08/65/76/1180086576.db2.gz ITXSFYLWNVBKLP-QKNOVVFDSA-N 1 3 315.889 2.153 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@@H]1CC[N@H+](C/C=C/Cl)C1)N(C)C ZINC001437929840 1180087085 /nfs/dbraw/zinc/08/70/85/1180087085.db2.gz ITXSFYLWNVBKLP-ZRJDUIELSA-N 1 3 315.889 2.153 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](C/C=C/Cl)C1)N(C)C ZINC001437929840 1180087090 /nfs/dbraw/zinc/08/70/90/1180087090.db2.gz ITXSFYLWNVBKLP-ZRJDUIELSA-N 1 3 315.889 2.153 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001437944082 1180094881 /nfs/dbraw/zinc/09/48/81/1180094881.db2.gz VHZOMCQWAFRXEO-DLBZAZTESA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001437944082 1180094889 /nfs/dbraw/zinc/09/48/89/1180094889.db2.gz VHZOMCQWAFRXEO-DLBZAZTESA-N 1 3 311.514 2.447 20 0 DEADHO CN(CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC1CC1)CC(C)(C)C ZINC001438961638 1180865218 /nfs/dbraw/zinc/86/52/18/1180865218.db2.gz LOXYBQTVUATSDS-JKSUJKDBSA-N 1 3 309.498 2.249 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CC1CCCC1)N(CC)CC ZINC001439551013 1181138388 /nfs/dbraw/zinc/13/83/88/1181138388.db2.gz ZBBNFUGZXCVUBZ-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CC[N@H+]1CC1CCCC1)N(CC)CC ZINC001439551013 1181138394 /nfs/dbraw/zinc/13/83/94/1181138394.db2.gz ZBBNFUGZXCVUBZ-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+](C)CCC(=O)NCC1(NCc2ccc(Cl)cc2)CC1 ZINC001439659853 1181189587 /nfs/dbraw/zinc/18/95/87/1181189587.db2.gz HPFILMGMJAHBSN-UHFFFAOYSA-N 1 3 323.868 2.420 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCC1(NCc2ccc(Cl)cc2)CC1 ZINC001439659853 1181189593 /nfs/dbraw/zinc/18/95/93/1181189593.db2.gz HPFILMGMJAHBSN-UHFFFAOYSA-N 1 3 323.868 2.420 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC2([NH2+]CCC3CC3)CC2)c1 ZINC001439679903 1181196476 /nfs/dbraw/zinc/19/64/76/1181196476.db2.gz YLBLTMKVFBEYCH-UHFFFAOYSA-N 1 3 315.461 2.400 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@]2(CC[N@H+](CC3CCCC3)C2)C1 ZINC001439720187 1181210445 /nfs/dbraw/zinc/21/04/45/1181210445.db2.gz WORHPLXSLJSLLD-LJQANCHMSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@]2(CC[N@@H+](CC3CCCC3)C2)C1 ZINC001439720187 1181210449 /nfs/dbraw/zinc/21/04/49/1181210449.db2.gz WORHPLXSLJSLLD-LJQANCHMSA-N 1 3 321.509 2.441 20 0 DEADHO Cc1cc(CN2CC[C@](C)(NC(=O)CC[NH+](C)C)C2)c(C)s1 ZINC001439858427 1181276810 /nfs/dbraw/zinc/27/68/10/1181276810.db2.gz YWNKMVGSWUNGJV-KRWDZBQOSA-N 1 3 323.506 2.397 20 0 DEADHO CC(C)(C(=O)NC[C@H]1C[C@H]([NH2+]C/C=C/Cl)C1)N1CCCC1 ZINC001440353903 1181461360 /nfs/dbraw/zinc/46/13/60/1181461360.db2.gz GUIPFCURAOMAHR-GUUMZZRISA-N 1 3 313.873 2.098 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C/C=C/Cl)C1 ZINC001440363680 1181465597 /nfs/dbraw/zinc/46/55/97/1181465597.db2.gz UGRWOVITTSQJIA-WBZPIZBHSA-N 1 3 313.873 2.098 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)CC1)N(C)C ZINC001440399235 1181483787 /nfs/dbraw/zinc/48/37/87/1181483787.db2.gz YDAUPKLVBVPOBT-QZTJIDSGSA-N 1 3 317.477 2.498 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)N(C)C ZINC001440399235 1181483793 /nfs/dbraw/zinc/48/37/93/1181483793.db2.gz YDAUPKLVBVPOBT-QZTJIDSGSA-N 1 3 317.477 2.498 20 0 DEADHO CC(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001440400859 1181486015 /nfs/dbraw/zinc/48/60/15/1181486015.db2.gz KEVDEXBGODPXLI-IXDOHACOSA-N 1 3 309.498 2.249 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC(C)([NH2+]CCF)CC2)c1 ZINC001440614589 1181614076 /nfs/dbraw/zinc/61/40/76/1181614076.db2.gz YFCISLJKHUDSBN-UHFFFAOYSA-N 1 3 321.440 2.302 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)CC[N@@H+]1CCCF ZINC001440647706 1181624743 /nfs/dbraw/zinc/62/47/43/1181624743.db2.gz LIMZBIBUMDKCMN-HUUCEWRRSA-N 1 3 315.477 2.293 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)CC[N@H+]1CCCF ZINC001440647706 1181624749 /nfs/dbraw/zinc/62/47/49/1181624749.db2.gz LIMZBIBUMDKCMN-HUUCEWRRSA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@@H](F)C[NH2+]CC(C)(C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001440879130 1181740617 /nfs/dbraw/zinc/74/06/17/1181740617.db2.gz XXVXMNBOUFUCRX-CQSZACIVSA-N 1 3 315.477 2.293 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]C/C=C\Cl)C1CC1 ZINC001441203179 1181893721 /nfs/dbraw/zinc/89/37/21/1181893721.db2.gz NTVVCCGIJKLSQK-JFCGUDLGSA-N 1 3 313.873 2.098 20 0 DEADHO CCC[NH2+][C@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001441222864 1181900545 /nfs/dbraw/zinc/90/05/45/1181900545.db2.gz INGQJTMTSDLHAI-RHSMWYFYSA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]([NH2+]Cc1ccsc1)C1CC1)N(C)C ZINC001441222130 1181900930 /nfs/dbraw/zinc/90/09/30/1181900930.db2.gz ANINBFZVAVPXKA-JKSUJKDBSA-N 1 3 323.506 2.319 20 0 DEADHO CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001441286498 1181930292 /nfs/dbraw/zinc/93/02/92/1181930292.db2.gz VNAURTPBVSOCFU-XLAORIBOSA-N 1 3 321.509 2.345 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001441286498 1181930297 /nfs/dbraw/zinc/93/02/97/1181930297.db2.gz VNAURTPBVSOCFU-XLAORIBOSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001441361018 1181956919 /nfs/dbraw/zinc/95/69/19/1181956919.db2.gz QGFKUDFEHDQDGA-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)NCc1ccccc1F)[NH+](C)C ZINC001441534595 1182045194 /nfs/dbraw/zinc/04/51/94/1182045194.db2.gz HFUMXVOYCPODEP-PBHICJAKSA-N 1 3 323.456 2.348 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CCC[N@@H+](CC2CC(C)C2)C1 ZINC001441584517 1182073718 /nfs/dbraw/zinc/07/37/18/1182073718.db2.gz MOZJQZNSZYZFNZ-SIWZUTFBSA-N 1 3 318.465 2.135 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CCC[N@H+](CC2CC(C)C2)C1 ZINC001441584517 1182073726 /nfs/dbraw/zinc/07/37/26/1182073726.db2.gz MOZJQZNSZYZFNZ-SIWZUTFBSA-N 1 3 318.465 2.135 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]Cc2cccc(F)c2)C[C@H]1C ZINC001441838082 1182206274 /nfs/dbraw/zinc/20/62/74/1182206274.db2.gz PVZUFVSBOVTXOI-PBHICJAKSA-N 1 3 321.440 2.245 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccsc2)C[C@@H]1C ZINC001441839380 1182208838 /nfs/dbraw/zinc/20/88/38/1182208838.db2.gz QNIZKZNGCBASJP-ZFWWWQNUSA-N 1 3 309.479 2.167 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+]Cc1c(C)cccc1C ZINC001442008756 1182284369 /nfs/dbraw/zinc/28/43/69/1182284369.db2.gz FTOBURSLNAFWLF-MRXNPFEDSA-N 1 3 305.466 2.240 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[NH2+]CC1CCC(C)CC1 ZINC001442027457 1182292697 /nfs/dbraw/zinc/29/26/97/1182292697.db2.gz YTXQRUBTXWAVBW-OWYJLGKBSA-N 1 3 306.454 2.181 20 0 DEADHO CCc1cccc(C[NH2+][C@H](C)CNC(=O)CN(C)C(C)C)c1 ZINC001442059555 1182303574 /nfs/dbraw/zinc/30/35/74/1182303574.db2.gz FPCCKYCTLKLFLM-OAHLLOKOSA-N 1 3 305.466 2.184 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CC[C@H](CNC/C(Cl)=C/Cl)C1 ZINC001442142064 1182343714 /nfs/dbraw/zinc/34/37/14/1182343714.db2.gz BAMPOFLNQYDBTI-YFBAIUBQSA-N 1 3 322.280 2.085 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](CNC/C(Cl)=C/Cl)C1 ZINC001442142064 1182343720 /nfs/dbraw/zinc/34/37/20/1182343720.db2.gz BAMPOFLNQYDBTI-YFBAIUBQSA-N 1 3 322.280 2.085 20 0 DEADHO CC(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001442216843 1182372566 /nfs/dbraw/zinc/37/25/66/1182372566.db2.gz PWBVIYUKRGEPAW-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001442216843 1182372572 /nfs/dbraw/zinc/37/25/72/1182372572.db2.gz PWBVIYUKRGEPAW-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@@H](CNCc1ccccc1Cl)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001444737811 1183536703 /nfs/dbraw/zinc/53/67/03/1183536703.db2.gz XOXWDEWZZRVTIQ-ZFWWWQNUSA-N 1 3 323.868 2.228 20 0 DEADHO C[C@@H](CNCc1ccccc1Cl)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001444737811 1183536712 /nfs/dbraw/zinc/53/67/12/1183536712.db2.gz XOXWDEWZZRVTIQ-ZFWWWQNUSA-N 1 3 323.868 2.228 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1CCC1)C1CC1 ZINC001445946929 1184142749 /nfs/dbraw/zinc/14/27/49/1184142749.db2.gz DMPJYUFMTPDDFR-IAGOWNOFSA-N 1 3 307.482 2.145 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCC1(C)CC[NH+](C(C)C)CC1 ZINC001446632069 1184462199 /nfs/dbraw/zinc/46/21/99/1184462199.db2.gz YZLVJECHJXDCQO-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC(F)(F)[C@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001446723215 1184529223 /nfs/dbraw/zinc/52/92/23/1184529223.db2.gz GQIIOQZJKBFOKD-CQSZACIVSA-N 1 3 319.440 2.202 20 0 DEADHO CCCN1CCC(F)(F)[C@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001446723215 1184529232 /nfs/dbraw/zinc/52/92/32/1184529232.db2.gz GQIIOQZJKBFOKD-CQSZACIVSA-N 1 3 319.440 2.202 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1)N(C)C ZINC001447093290 1184635623 /nfs/dbraw/zinc/63/56/23/1184635623.db2.gz YWMVHQCRBAIDTN-ULQDDVLXSA-N 1 3 309.498 2.247 20 0 DEADHO CC[C@@H](F)CN1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001447437297 1184774940 /nfs/dbraw/zinc/77/49/40/1184774940.db2.gz GULOSAZEGNXLKS-NVXWUHKLSA-N 1 3 313.461 2.001 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H](C)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001447873492 1184907667 /nfs/dbraw/zinc/90/76/67/1184907667.db2.gz SVXYKTWGZNAUGF-HOTGVXAUSA-N 1 3 317.477 2.462 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccccc2)C1 ZINC001449062665 1185514373 /nfs/dbraw/zinc/51/43/73/1185514373.db2.gz NLOWICGWZYFDAE-ZWKOTPCHSA-N 1 3 317.477 2.401 20 0 DEADHO CC[C@H](F)C[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC001449071612 1185518523 /nfs/dbraw/zinc/51/85/23/1185518523.db2.gz FSKWVOLRDWSUJU-ZFWWWQNUSA-N 1 3 313.461 2.045 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C1CC[NH+](CCC2CC2)CC1 ZINC001449351153 1185670169 /nfs/dbraw/zinc/67/01/69/1185670169.db2.gz JAVZNESFBXFENF-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO [NH3+]C1([C@H]2CN(c3ncccc3CN3CCCC3)C[C@H]2CF)CC1 ZINC001164623749 719124862 /nfs/dbraw/zinc/12/48/62/719124862.db2.gz RVKSCYDYXHZSBL-CVEARBPZSA-N 1 3 318.440 2.191 20 0 DEADHO CN(C)c1cc[nH+]c(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c1 ZINC001164731062 720380095 /nfs/dbraw/zinc/38/00/95/720380095.db2.gz YRIUFQRTDWWHFF-ZWKOTPCHSA-N 1 3 323.444 2.396 20 0 DEADHO Cc1nc(N(C)CC2CC[NH+](C)CC2)cc(N2CCCC2)n1 ZINC001165040683 721931210 /nfs/dbraw/zinc/93/12/10/721931210.db2.gz IZURKFUBCDEAAR-UHFFFAOYSA-N 1 3 303.454 2.163 20 0 DEADHO CN(CC1CC[NH+](C)CC1)c1cc(Cl)nc2c1CCNC2 ZINC001165042072 721936249 /nfs/dbraw/zinc/93/62/49/721936249.db2.gz FCTHGMCEPGLVIG-UHFFFAOYSA-N 1 3 308.857 2.159 20 0 DEADHO C[NH+](C)CC1CCN(c2cc(Cl)nc3c2CCNC3)CC1 ZINC001165044624 721948067 /nfs/dbraw/zinc/94/80/67/721948067.db2.gz HGRKZBYBDCMMEP-UHFFFAOYSA-N 1 3 308.857 2.159 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001370549868 1149809003 /nfs/dbraw/zinc/80/90/03/1149809003.db2.gz SWKAZFMKYDZYGY-IYARVYRRSA-N 1 3 317.477 2.382 20 0 DEADHO Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2)cs1 ZINC001370716707 1149829187 /nfs/dbraw/zinc/82/91/87/1149829187.db2.gz YHLCBGGXZRSWGE-XHSDSOJGSA-N 1 3 323.506 2.380 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC001408255165 1165549866 /nfs/dbraw/zinc/54/98/66/1165549866.db2.gz WKOIHCDGXJAHAS-AWEZNQCLSA-N 1 3 309.429 2.150 20 0 DEADHO CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249796 782571027 /nfs/dbraw/zinc/57/10/27/782571027.db2.gz QJQYAUPUWKAVKB-HABNCWAESA-N 1 3 321.509 2.367 20 0 DEADHO CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249184 782571259 /nfs/dbraw/zinc/57/12/59/782571259.db2.gz BPOMUTIBXVBDQN-NXHRZFHOSA-N 1 3 323.525 2.447 20 0 DEADHO CC(C)(C(=O)NCC[NH2+]CC1=CCCCC1)N1CCCCC1 ZINC001127321637 782651717 /nfs/dbraw/zinc/65/17/17/782651717.db2.gz AWUVXDHFUDQQDV-UHFFFAOYSA-N 1 3 307.482 2.457 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC=C(C)C)[C@H](C)C1 ZINC001106336380 782660122 /nfs/dbraw/zinc/66/01/22/782660122.db2.gz LFSPQTCZFVDLQV-HZPDHXFCSA-N 1 3 309.498 2.367 20 0 DEADHO CC[C@H](C)C[N@H+]1CC=C(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001333354138 1150038717 /nfs/dbraw/zinc/03/87/17/1150038717.db2.gz DDNFESCDTGVAQC-RDJZCZTQSA-N 1 3 309.498 2.367 20 0 DEADHO CC[C@H](C)C[N@@H+]1CC=C(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001333354138 1150038722 /nfs/dbraw/zinc/03/87/22/1150038722.db2.gz DDNFESCDTGVAQC-RDJZCZTQSA-N 1 3 309.498 2.367 20 0 DEADHO CC[C@@H](C(=O)NCCC1(C[NH2+]CCCCCF)CC1)N(C)C ZINC001167260747 776809547 /nfs/dbraw/zinc/80/95/47/776809547.db2.gz IFOABNVMALMZOC-HNNXBMFYSA-N 1 3 315.477 2.343 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC[NH2+]CCC1CC1 ZINC001104287751 776898070 /nfs/dbraw/zinc/89/80/70/776898070.db2.gz KLSJBNQDKCQNSQ-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H](NC[C@@H](F)CC)C1 ZINC001210788693 776948807 /nfs/dbraw/zinc/94/88/07/776948807.db2.gz HVFDKGYOEXYKNY-LSDHHAIUSA-N 1 3 301.450 2.047 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H](NC[C@@H](F)CC)C1 ZINC001210788693 776948810 /nfs/dbraw/zinc/94/88/10/776948810.db2.gz HVFDKGYOEXYKNY-LSDHHAIUSA-N 1 3 301.450 2.047 20 0 DEADHO CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001104292212 776950527 /nfs/dbraw/zinc/95/05/27/776950527.db2.gz OKQLBSGLUCJRKJ-DJIMGWMZSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@@H](F)CN1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111857985 777136258 /nfs/dbraw/zinc/13/62/58/777136258.db2.gz IQQPNPKWLQYPNQ-UXLLHSPISA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H](C[NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)CN(C)C ZINC000724104472 777241684 /nfs/dbraw/zinc/24/16/84/777241684.db2.gz RRESAFRMXTVISB-RBSFLKMASA-N 1 3 313.486 2.467 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+]CCC(F)(F)F ZINC001167628352 777406371 /nfs/dbraw/zinc/40/63/71/777406371.db2.gz ZNUAUCTXWLPHCD-ZDUSSCGKSA-N 1 3 323.403 2.298 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C/C=C\Cl)C1 ZINC001104939382 778266445 /nfs/dbraw/zinc/26/64/45/778266445.db2.gz NVMQAMHSWFFWRU-JFOCPDPESA-N 1 3 315.889 2.155 20 0 DEADHO CN(C)Cc1ccc(-n2cc(CC[NH3+])c3cc(O)ccc32)nc1 ZINC001167982308 779145520 /nfs/dbraw/zinc/14/55/20/779145520.db2.gz CWIIUDHIFGTQEC-UHFFFAOYSA-N 1 3 310.401 2.294 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]2C1 ZINC001088095393 779697485 /nfs/dbraw/zinc/69/74/85/779697485.db2.gz LWPJFSNEIQKNGW-IXDOHACOSA-N 1 3 309.498 2.009 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]2C1 ZINC001088095393 779697488 /nfs/dbraw/zinc/69/74/88/779697488.db2.gz LWPJFSNEIQKNGW-IXDOHACOSA-N 1 3 309.498 2.009 20 0 DEADHO CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001088130161 779717871 /nfs/dbraw/zinc/71/78/71/779717871.db2.gz YRRJGSZTYVRPQA-IKGGRYGDSA-N 1 3 307.482 2.050 20 0 DEADHO CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001088130161 779717875 /nfs/dbraw/zinc/71/78/75/779717875.db2.gz YRRJGSZTYVRPQA-IKGGRYGDSA-N 1 3 307.482 2.050 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCF)C1 ZINC001088431469 780118997 /nfs/dbraw/zinc/11/89/97/780118997.db2.gz WPTOFGNAVHRFKA-HZPDHXFCSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)N1CCN(c2ccc(NC3(C)CC[NH2+]CC3)cn2)CC1 ZINC001168187180 780415468 /nfs/dbraw/zinc/41/54/68/780415468.db2.gz MPXSOJGBYSZZGX-UHFFFAOYSA-N 1 3 317.481 2.166 20 0 DEADHO COc1ccc2c(c1)C[C@H](N1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001168259331 780505112 /nfs/dbraw/zinc/50/51/12/780505112.db2.gz CFXVUSUNCMKMNL-GOSISDBHSA-N 1 3 309.413 2.380 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC=C(C)C)[C@@H]1C ZINC001088605008 780574853 /nfs/dbraw/zinc/57/48/53/780574853.db2.gz CKXZLOKIGQFLGK-IKGGRYGDSA-N 1 3 307.482 2.406 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC=C(C)C)[C@@H]1C ZINC001088605008 780574855 /nfs/dbraw/zinc/57/48/55/780574855.db2.gz CKXZLOKIGQFLGK-IKGGRYGDSA-N 1 3 307.482 2.406 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1C1(C[NH2+]CCF)CCC1 ZINC001105566820 780766022 /nfs/dbraw/zinc/76/60/22/780766022.db2.gz WOTHSYSYYWBGMB-OAHLLOKOSA-N 1 3 322.428 2.063 20 0 DEADHO Cc1cc(N2CCN(C3CCC([NH+](C)C)CC3)CC2)nc(C)n1 ZINC001168323723 780840543 /nfs/dbraw/zinc/84/05/43/780840543.db2.gz BITAQBBSJUFOPH-UHFFFAOYSA-N 1 3 317.481 2.088 20 0 DEADHO C[NH+](C)C1CCC(N2CCN(C(=O)CC(C)(C)C)CC2)CC1 ZINC001168328236 780844789 /nfs/dbraw/zinc/84/47/89/780844789.db2.gz BBPNEUHXOMYOGV-UHFFFAOYSA-N 1 3 309.498 2.440 20 0 DEADHO FC1(F)CO[C@]2(CC[N@@H+](C3CCN(CC4CC4)CC3)C2)C1 ZINC001168387697 781774174 /nfs/dbraw/zinc/77/41/74/781774174.db2.gz QEBWYEAOMAUWKM-OAHLLOKOSA-N 1 3 300.393 2.361 20 0 DEADHO FC1(F)CO[C@]2(CC[N@H+](C3CCN(CC4CC4)CC3)C2)C1 ZINC001168387697 781774176 /nfs/dbraw/zinc/77/41/76/781774176.db2.gz QEBWYEAOMAUWKM-OAHLLOKOSA-N 1 3 300.393 2.361 20 0 DEADHO CN(C[C@H]1CCN1CCC1CC1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001085668791 783941404 /nfs/dbraw/zinc/94/14/04/783941404.db2.gz KWYMILWOTWEXQE-QGZVFWFLSA-N 1 3 319.493 2.195 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CCN1CC1CC1 ZINC001085687842 783968645 /nfs/dbraw/zinc/96/86/45/783968645.db2.gz WOLVNHNYHQHGNQ-IAGOWNOFSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CCN1CC1CC1 ZINC001085687842 783968650 /nfs/dbraw/zinc/96/86/50/783968650.db2.gz WOLVNHNYHQHGNQ-IAGOWNOFSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CCN1CC1CC1 ZINC001085855429 784149081 /nfs/dbraw/zinc/14/90/81/784149081.db2.gz YKPDOGHCFPLKOZ-IAGOWNOFSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CCN1CC1CC1 ZINC001085855429 784149087 /nfs/dbraw/zinc/14/90/87/784149087.db2.gz YKPDOGHCFPLKOZ-IAGOWNOFSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CC1 ZINC001085855429 784149091 /nfs/dbraw/zinc/14/90/91/784149091.db2.gz YKPDOGHCFPLKOZ-IAGOWNOFSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CC1 ZINC001085855429 784149096 /nfs/dbraw/zinc/14/90/96/784149096.db2.gz YKPDOGHCFPLKOZ-IAGOWNOFSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1C[C@H]([NH2+]CC2CC(C)C2)C1 ZINC001086084674 784395324 /nfs/dbraw/zinc/39/53/24/784395324.db2.gz AUXNEZVKEORXTG-KWXGJIJISA-N 1 3 321.509 2.390 20 0 DEADHO CCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCCCCC1 ZINC001114922243 784491155 /nfs/dbraw/zinc/49/11/55/784491155.db2.gz VQNPUDRANJTBKG-BDXSIMOUSA-N 1 3 321.509 2.488 20 0 DEADHO CCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCCCCC1 ZINC001114922243 784491158 /nfs/dbraw/zinc/49/11/58/784491158.db2.gz VQNPUDRANJTBKG-BDXSIMOUSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]CC3CC4(CCC4)C3)C2)CCC1 ZINC000968904555 784644545 /nfs/dbraw/zinc/64/45/45/784644545.db2.gz UYAQAMPSAVRANY-MRXNPFEDSA-N 1 3 319.493 2.242 20 0 DEADHO CN(CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)cc2)C1)C1CCC1 ZINC000968924824 784654547 /nfs/dbraw/zinc/65/45/47/784654547.db2.gz YYEBNQITFPXJLH-MRXNPFEDSA-N 1 3 319.424 2.001 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001007457137 784925229 /nfs/dbraw/zinc/92/52/29/784925229.db2.gz IQGXOCGBKRBPSD-SJORKVTESA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001007457137 784925232 /nfs/dbraw/zinc/92/52/32/784925232.db2.gz IQGXOCGBKRBPSD-SJORKVTESA-N 1 3 307.482 2.242 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC[C@H]1CCN1C(=O)OC(C)(C)C)C2 ZINC001169089252 785039332 /nfs/dbraw/zinc/03/93/32/785039332.db2.gz AEDYDWQXCWIYJU-APIJFGDWSA-N 1 3 309.454 2.211 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC[C@H]1CCN1C(=O)OC(C)(C)C)C2 ZINC001169089252 785039340 /nfs/dbraw/zinc/03/93/40/785039340.db2.gz AEDYDWQXCWIYJU-APIJFGDWSA-N 1 3 309.454 2.211 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCc3ncnc(C4CC4)c3CC1)C2 ZINC001169139886 785056904 /nfs/dbraw/zinc/05/69/04/785056904.db2.gz OLERIILZNJAROC-ZSHCYNCHSA-N 1 3 312.461 2.380 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCc3ncnc(C4CC4)c3CC1)C2 ZINC001169139886 785056912 /nfs/dbraw/zinc/05/69/12/785056912.db2.gz OLERIILZNJAROC-ZSHCYNCHSA-N 1 3 312.461 2.380 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1CCCN(c3ccccn3)C1)C2 ZINC001169115768 785059440 /nfs/dbraw/zinc/05/94/40/785059440.db2.gz OIUGCMFHRJNVKE-VQHPVUNQSA-N 1 3 300.450 2.265 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1CCCN(c3ccccn3)C1)C2 ZINC001169115768 785059445 /nfs/dbraw/zinc/05/94/45/785059445.db2.gz OIUGCMFHRJNVKE-VQHPVUNQSA-N 1 3 300.450 2.265 20 0 DEADHO CCN(CC)C(=O)C[C@@H](C)N1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001169489682 785223504 /nfs/dbraw/zinc/22/35/04/785223504.db2.gz MYFWYTWCGZGBFF-MRXNPFEDSA-N 1 3 318.465 2.159 20 0 DEADHO CN(C)/C=C/c1ccncc1-n1cc(CC[NH3+])c2ncccc21 ZINC001169708787 785319582 /nfs/dbraw/zinc/31/95/82/785319582.db2.gz FHNKDGQTDNUCNW-YRNVUSSQSA-N 1 3 307.401 2.454 20 0 DEADHO CC(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C(C)C)C2 ZINC001108830304 785558323 /nfs/dbraw/zinc/55/83/23/785558323.db2.gz IWSBZKMEALCIIY-BBWFWOEESA-N 1 3 309.498 2.342 20 0 DEADHO C[C@H]([NH2+]CCNC(=O)C1(N(C)C)CCC1)c1cccc(F)c1 ZINC001129380216 785684536 /nfs/dbraw/zinc/68/45/36/785684536.db2.gz FTSFWVJCPVBVEV-ZDUSSCGKSA-N 1 3 307.413 2.077 20 0 DEADHO Cc1cc(C[NH2+]CCNC(=O)C2(N(C)C)CCC2)c(C)s1 ZINC001129380647 785697964 /nfs/dbraw/zinc/69/79/64/785697964.db2.gz KTQQDFCNJBBDFT-UHFFFAOYSA-N 1 3 309.479 2.055 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC1 ZINC001109464421 785888588 /nfs/dbraw/zinc/88/85/88/785888588.db2.gz ZKVRBRBIXOUZAK-PMPSAXMXSA-N 1 3 307.482 2.238 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1 ZINC001109464421 785888597 /nfs/dbraw/zinc/88/85/97/785888597.db2.gz ZKVRBRBIXOUZAK-PMPSAXMXSA-N 1 3 307.482 2.238 20 0 DEADHO CC(C)[NH2+][C@H]1C[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001086558459 786221723 /nfs/dbraw/zinc/22/17/23/786221723.db2.gz RCVYOLUPEAMIQD-KOMQPUFPSA-N 1 3 303.450 2.255 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001114263430 787190893 /nfs/dbraw/zinc/19/08/93/787190893.db2.gz VIBGCMMTSODMIV-MLTOYYIHSA-N 1 3 319.493 2.262 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001114263430 787190899 /nfs/dbraw/zinc/19/08/99/787190899.db2.gz VIBGCMMTSODMIV-MLTOYYIHSA-N 1 3 319.493 2.262 20 0 DEADHO CN(C)[C@H](C(=O)NCC[NH2+]Cc1ccc(C2CC2)cc1)C1CC1 ZINC001129444483 787211853 /nfs/dbraw/zinc/21/18/53/787211853.db2.gz TYWQYCFMAVNGKK-SFHVURJKSA-N 1 3 315.461 2.110 20 0 DEADHO CCCc1ccc(C[NH2+]CCNC(=O)[C@@H](C2CC2)N(C)C)cc1 ZINC001129435288 787213464 /nfs/dbraw/zinc/21/34/64/787213464.db2.gz DTCHNCOPYXNGJY-GOSISDBHSA-N 1 3 317.477 2.185 20 0 DEADHO CN(CC(=O)NCC[NH2+][C@H]1CCc2ccc(F)cc21)C1CCC1 ZINC001129535456 787224713 /nfs/dbraw/zinc/22/47/13/787224713.db2.gz SJKREQSTSWMGLR-KRWDZBQOSA-N 1 3 319.424 2.003 20 0 DEADHO CN(CC(=O)NCC[NH2+][C@H]1CCc2c1cccc2F)C1CCC1 ZINC001129535438 787224938 /nfs/dbraw/zinc/22/49/38/787224938.db2.gz RPVTXBIQXUOAAO-KRWDZBQOSA-N 1 3 319.424 2.003 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[NH2+]CCCc1cccc(F)c1)N(C)C ZINC001129947085 787264899 /nfs/dbraw/zinc/26/48/99/787264899.db2.gz JKXMFLFNHBNAIT-KRWDZBQOSA-N 1 3 323.456 2.050 20 0 DEADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCc1cc2ccccc2o1 ZINC001130419361 787393555 /nfs/dbraw/zinc/39/35/55/787393555.db2.gz XACYKKBXZIADNP-UHFFFAOYSA-N 1 3 317.433 2.369 20 0 DEADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCc1cc2ccccc2o1 ZINC001130419361 787393566 /nfs/dbraw/zinc/39/35/66/787393566.db2.gz XACYKKBXZIADNP-UHFFFAOYSA-N 1 3 317.433 2.369 20 0 DEADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)NCCNC/C=C/Cl ZINC001130622723 787444392 /nfs/dbraw/zinc/44/43/92/787444392.db2.gz XDRGVUNGQGOSIN-RMKNXTFCSA-N 1 3 301.862 2.098 20 0 DEADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCCNC/C=C/Cl ZINC001130622723 787444400 /nfs/dbraw/zinc/44/44/00/787444400.db2.gz XDRGVUNGQGOSIN-RMKNXTFCSA-N 1 3 301.862 2.098 20 0 DEADHO COC(=O)[C@@H]1CC[C@@H]([NH+]2CCC(N3CCC(F)CC3)CC2)C1 ZINC001170561175 787623147 /nfs/dbraw/zinc/62/31/47/787623147.db2.gz QYYSGJSUGWMYAT-CZUORRHYSA-N 1 3 312.429 2.226 20 0 DEADHO C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)CN1Cc1ccccc1 ZINC001132272935 788004140 /nfs/dbraw/zinc/00/41/40/788004140.db2.gz CENVHJJURGAPHV-NVXWUHKLSA-N 1 3 303.450 2.107 20 0 DEADHO Cc1cccc(CN2C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]2C)c1 ZINC001132274446 788004849 /nfs/dbraw/zinc/00/48/49/788004849.db2.gz UHVQCQVYMCRUIS-AEFFLSMTSA-N 1 3 317.477 2.416 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@H](C)[C@H](C[NH2+]CC2CC2)C1 ZINC001132938817 788232166 /nfs/dbraw/zinc/23/21/66/788232166.db2.gz ZJGWKHHDTAEXHU-GOEBONIOSA-N 1 3 309.498 2.201 20 0 DEADHO CCCCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C ZINC001133135102 788290934 /nfs/dbraw/zinc/29/09/34/788290934.db2.gz LOCCYDSZJXZZAH-GJZGRUSLSA-N 1 3 306.454 2.217 20 0 DEADHO CC[C@H]([NH2+]CCNC(=O)CN1CC[C@H](C)C1)c1ccccc1 ZINC001133849755 788640621 /nfs/dbraw/zinc/64/06/21/788640621.db2.gz DAAFLPDMOHDDPG-RDJZCZTQSA-N 1 3 303.450 2.185 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+]Cc1ccc(Cl)c(F)c1)N(C)C ZINC001133982473 788705654 /nfs/dbraw/zinc/70/56/54/788705654.db2.gz BMFAEQNBNBRUEK-AWEZNQCLSA-N 1 3 315.820 2.025 20 0 DEADHO C[C@H](CCCC[NH2+]CCF)NC(=O)C(C)(C)N1CCCCC1 ZINC001170769719 789064986 /nfs/dbraw/zinc/06/49/86/789064986.db2.gz NGUJZYXKMUWDHO-OAHLLOKOSA-N 1 3 315.477 2.485 20 0 DEADHO CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1ocnc1C ZINC001134772869 789073279 /nfs/dbraw/zinc/07/32/79/789073279.db2.gz ILVZIECOJLENCW-CHWSQXEVSA-N 1 3 324.469 2.086 20 0 DEADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1ocnc1C ZINC001134772869 789073286 /nfs/dbraw/zinc/07/32/86/789073286.db2.gz ILVZIECOJLENCW-CHWSQXEVSA-N 1 3 324.469 2.086 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccn1 ZINC001134773386 789074052 /nfs/dbraw/zinc/07/40/52/789074052.db2.gz OGCFVDVYWTXAIQ-GJZGRUSLSA-N 1 3 320.481 2.185 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1 ZINC001135743056 789474978 /nfs/dbraw/zinc/47/49/78/789474978.db2.gz DICNDVPFTJNSRS-HOTGVXAUSA-N 1 3 305.466 2.401 20 0 DEADHO Cc1nocc1CN[C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001135967325 789578296 /nfs/dbraw/zinc/57/82/96/789578296.db2.gz UQAIQUWVFUYPIK-UONOGXRCSA-N 1 3 324.469 2.088 20 0 DEADHO C[C@H](CCCC[NH2+]C/C=C\Cl)NC(=O)CN(C)C1CCC1 ZINC001171261641 791180980 /nfs/dbraw/zinc/18/09/80/791180980.db2.gz XLHTWPCPZGJUMF-LBIZBFCRSA-N 1 3 315.889 2.488 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCN3C)[C@H]2C)cc1 ZINC001074561624 791232155 /nfs/dbraw/zinc/23/21/55/791232155.db2.gz HMUQYFHVFBJPHO-SZMVWBNQSA-N 1 3 315.461 2.168 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)[C@@H]1CCCN1C ZINC001074565224 791234476 /nfs/dbraw/zinc/23/44/76/791234476.db2.gz ZQZJHWCZOOAWKM-BPUTZDHNSA-N 1 3 307.482 2.096 20 0 DEADHO Cc1nc(C)c(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C)o1 ZINC001146593583 791317835 /nfs/dbraw/zinc/31/78/35/791317835.db2.gz QEQMUFHVEWIIIL-QWHCGFSZSA-N 1 3 324.469 2.005 20 0 DEADHO CC[NH+]1CCC(C(=O)N2CCN(CC3CCCCC3)CC2)CC1 ZINC001146773481 791356985 /nfs/dbraw/zinc/35/69/85/791356985.db2.gz MXGFJRPUMJYZOM-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CC3CCCCC3)[C@@H]2C)C1 ZINC001074880732 791365275 /nfs/dbraw/zinc/36/52/75/791365275.db2.gz WMVKTMRMWZXBOA-RYRKJORJSA-N 1 3 321.509 2.488 20 0 DEADHO CC/C=C/CC[N@@H+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001148278207 791728566 /nfs/dbraw/zinc/72/85/66/791728566.db2.gz ULPWGDUZAPTEHM-LAQIPUCWSA-N 1 3 319.493 2.361 20 0 DEADHO CC/C=C/CC[N@H+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001148278207 791728568 /nfs/dbraw/zinc/72/85/68/791728568.db2.gz ULPWGDUZAPTEHM-LAQIPUCWSA-N 1 3 319.493 2.361 20 0 DEADHO CCC[N@H+](C)CCC(=O)NCCNCc1cc2ccccc2o1 ZINC001148571020 791772631 /nfs/dbraw/zinc/77/26/31/791772631.db2.gz RNUGIQAWJUKYJA-UHFFFAOYSA-N 1 3 317.433 2.371 20 0 DEADHO CCC[N@@H+](C)CCC(=O)NCCNCc1cc2ccccc2o1 ZINC001148571020 791772634 /nfs/dbraw/zinc/77/26/34/791772634.db2.gz RNUGIQAWJUKYJA-UHFFFAOYSA-N 1 3 317.433 2.371 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+]CC/C=C/c1ccccc1 ZINC001148642915 791780055 /nfs/dbraw/zinc/78/00/55/791780055.db2.gz QHDKYOOGCPUMAP-YRNVUSSQSA-N 1 3 303.450 2.138 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](CC1=CCCCC1)C2 ZINC001148647207 791780254 /nfs/dbraw/zinc/78/02/54/791780254.db2.gz QXRQLFPCWNXRSE-UHFFFAOYSA-N 1 3 319.493 2.363 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](CC1=CCCCC1)C2 ZINC001148647207 791780257 /nfs/dbraw/zinc/78/02/57/791780257.db2.gz QXRQLFPCWNXRSE-UHFFFAOYSA-N 1 3 319.493 2.363 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001148638468 791786641 /nfs/dbraw/zinc/78/66/41/791786641.db2.gz IHXWPHZKRGLMFN-KRWDZBQOSA-N 1 3 321.440 2.251 20 0 DEADHO CC(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN(C)C(C)C)C1 ZINC001099552325 792240122 /nfs/dbraw/zinc/24/01/22/792240122.db2.gz LJXRJUKBFPNTBE-XSLAGTTESA-N 1 3 321.509 2.151 20 0 DEADHO CC(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN(C)C(C)C)C1 ZINC001099552325 792240127 /nfs/dbraw/zinc/24/01/27/792240127.db2.gz LJXRJUKBFPNTBE-XSLAGTTESA-N 1 3 321.509 2.151 20 0 DEADHO C[C@H](NC1CC(CNC(=O)CC[NH+](C)C)C1)c1ccccc1F ZINC001100638700 792761209 /nfs/dbraw/zinc/76/12/09/792761209.db2.gz ZETGFJZWERDPSO-NFOMZHRRSA-N 1 3 321.440 2.323 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC2CCC2)[C@H](C)C1 ZINC001094241699 792779252 /nfs/dbraw/zinc/77/92/52/792779252.db2.gz XNSOVLAEMGHMHY-KBAYOESNSA-N 1 3 321.509 2.345 20 0 DEADHO CCCN(C)CC(=O)NCC1CC([NH2+]CC2CC(C)(C)C2)C1 ZINC001100904733 792911028 /nfs/dbraw/zinc/91/10/28/792911028.db2.gz DQLRCBPOJYKVHX-UHFFFAOYSA-N 1 3 309.498 2.249 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1CC([NH2+]CCC2CCCC2)C1 ZINC001100920890 792918649 /nfs/dbraw/zinc/91/86/49/792918649.db2.gz GZFDGMOUMRXEBC-UHFFFAOYSA-N 1 3 318.465 2.325 20 0 DEADHO CN1C(C)(C)CC([NH2+][C@H]2CCN(c3ncccn3)C2)CC1(C)C ZINC001171613955 793149506 /nfs/dbraw/zinc/14/95/06/793149506.db2.gz RZILWVOYXUHGHY-AWEZNQCLSA-N 1 3 317.481 2.296 20 0 DEADHO CC(=O)N1CCC[C@H](C[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171622925 793152845 /nfs/dbraw/zinc/15/28/45/793152845.db2.gz CVBQSUHHSPWQMF-OAHLLOKOSA-N 1 3 309.498 2.486 20 0 DEADHO CCN1CCO[C@@H]2C[N@@H+](C3CC(C)(C)N(C)C(C)(C)C3)C[C@@H]2C1 ZINC001171638127 793170644 /nfs/dbraw/zinc/17/06/44/793170644.db2.gz SBHKKVRMVSKMEF-DOTOQJQBSA-N 1 3 323.525 2.290 20 0 DEADHO CCN1CCO[C@@H]2C[N@H+](C3CC(C)(C)N(C)C(C)(C)C3)C[C@@H]2C1 ZINC001171638127 793170647 /nfs/dbraw/zinc/17/06/47/793170647.db2.gz SBHKKVRMVSKMEF-DOTOQJQBSA-N 1 3 323.525 2.290 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]C/C=C/c1ccccc1 ZINC001171756908 793196357 /nfs/dbraw/zinc/19/63/57/793196357.db2.gz AZJCLVDESBHABK-YRNVUSSQSA-N 1 3 303.450 2.138 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]CCCc1cccc(F)c1 ZINC001171763011 793199562 /nfs/dbraw/zinc/19/95/62/793199562.db2.gz QGNPMDTUCVDLDO-UHFFFAOYSA-N 1 3 323.456 2.196 20 0 DEADHO CCN1CC[C@@H](NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)CC1=O ZINC001172045186 793306863 /nfs/dbraw/zinc/30/68/63/793306863.db2.gz ZTJLVWPNBMHULJ-SJLPKXTDSA-N 1 3 319.493 2.408 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[C@@H](Oc3ncccn3)C1)C2 ZINC001172133220 793323688 /nfs/dbraw/zinc/32/36/88/793323688.db2.gz PYGBIUOHRRYALK-YYIAUSFCSA-N 1 3 316.449 2.335 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[C@@H](Oc3ncccn3)C1)C2 ZINC001172133220 793323698 /nfs/dbraw/zinc/32/36/98/793323698.db2.gz PYGBIUOHRRYALK-YYIAUSFCSA-N 1 3 316.449 2.335 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[C@@H](Oc3cnccn3)C1)C2 ZINC001172134069 793324895 /nfs/dbraw/zinc/32/48/95/793324895.db2.gz WTAWEEFKLKAUII-YYIAUSFCSA-N 1 3 316.449 2.335 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[C@@H](Oc3cnccn3)C1)C2 ZINC001172134069 793324904 /nfs/dbraw/zinc/32/49/04/793324904.db2.gz WTAWEEFKLKAUII-YYIAUSFCSA-N 1 3 316.449 2.335 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCNC(=O)c1ccc(F)cc1)C2 ZINC001172104656 793328455 /nfs/dbraw/zinc/32/84/55/793328455.db2.gz DTRARJIRDSJPDQ-OSYLJGHBSA-N 1 3 319.424 2.160 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCNC(=O)c1ccc(F)cc1)C2 ZINC001172104656 793328458 /nfs/dbraw/zinc/32/84/58/793328458.db2.gz DTRARJIRDSJPDQ-OSYLJGHBSA-N 1 3 319.424 2.160 20 0 DEADHO COCc1cccc([C@H](CO)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)c1 ZINC001172110454 793330116 /nfs/dbraw/zinc/33/01/16/793330116.db2.gz MZDFLMYTDUMNQO-OKYOBFRVSA-N 1 3 318.461 2.471 20 0 DEADHO COCCC[NH+]1CCC(N2CCC(n3ccnc3)CC2)CC1 ZINC001172253587 793390602 /nfs/dbraw/zinc/39/06/02/793390602.db2.gz VLHSJLUYXYXVTI-UHFFFAOYSA-N 1 3 306.454 2.021 20 0 DEADHO CC1(C)C[C@@H]([NH2+]CC2CCN(Cc3ccccn3)CC2)CO1 ZINC001172279842 793393042 /nfs/dbraw/zinc/39/30/42/793393042.db2.gz QEWVZIYEDNMWSE-QGZVFWFLSA-N 1 3 303.450 2.451 20 0 DEADHO CC[C@H](CC(C)C)[N@@H+]1CCCn2c(=O)cc(CN(C)C)nc2C1 ZINC001172399968 793424768 /nfs/dbraw/zinc/42/47/68/793424768.db2.gz UGDOKKNLRQVUSJ-MRXNPFEDSA-N 1 3 320.481 2.335 20 0 DEADHO CC[C@H](CC(C)C)[N@H+]1CCCn2c(=O)cc(CN(C)C)nc2C1 ZINC001172399968 793424771 /nfs/dbraw/zinc/42/47/71/793424771.db2.gz UGDOKKNLRQVUSJ-MRXNPFEDSA-N 1 3 320.481 2.335 20 0 DEADHO COC(=O)N1CCC([N@@H+](Cc2ccccc2)C[C@H](C)CN)CC1 ZINC001172733798 793484552 /nfs/dbraw/zinc/48/45/52/793484552.db2.gz DXDSIWGPHUMVAB-OAHLLOKOSA-N 1 3 319.449 2.314 20 0 DEADHO COC(=O)N1CCC([N@H+](Cc2ccccc2)C[C@H](C)CN)CC1 ZINC001172733798 793484556 /nfs/dbraw/zinc/48/45/56/793484556.db2.gz DXDSIWGPHUMVAB-OAHLLOKOSA-N 1 3 319.449 2.314 20 0 DEADHO COC(=O)N1CCC(N(Cc2ccccc2)C[C@H](C)C[NH3+])CC1 ZINC001172733798 793484562 /nfs/dbraw/zinc/48/45/62/793484562.db2.gz DXDSIWGPHUMVAB-OAHLLOKOSA-N 1 3 319.449 2.314 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102044983 793485944 /nfs/dbraw/zinc/48/59/44/793485944.db2.gz MSWFCJMAUDLCIY-HZPDHXFCSA-N 1 3 307.482 2.121 20 0 DEADHO CC(C)=CC[N@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102044983 793485945 /nfs/dbraw/zinc/48/59/45/793485945.db2.gz MSWFCJMAUDLCIY-HZPDHXFCSA-N 1 3 307.482 2.121 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C)N(C)C ZINC001102071092 793493749 /nfs/dbraw/zinc/49/37/49/793493749.db2.gz CQFKNUVZWGCEHC-OIISXLGYSA-N 1 3 309.498 2.057 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C)N(C)C ZINC001102071092 793493755 /nfs/dbraw/zinc/49/37/55/793493755.db2.gz CQFKNUVZWGCEHC-OIISXLGYSA-N 1 3 309.498 2.057 20 0 DEADHO C[C@H](CN)C[N@H+](C)C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C ZINC001172808697 793506077 /nfs/dbraw/zinc/50/60/77/793506077.db2.gz DDBPCXGOUXUYSJ-JKXDFHQYSA-N 1 3 309.454 2.220 20 0 DEADHO C[C@H](CN)C[N@@H+](C)C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C ZINC001172808697 793506079 /nfs/dbraw/zinc/50/60/79/793506079.db2.gz DDBPCXGOUXUYSJ-JKXDFHQYSA-N 1 3 309.454 2.220 20 0 DEADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](CCCC(C)C)C[C@H]1C ZINC001102475548 793626612 /nfs/dbraw/zinc/62/66/12/793626612.db2.gz SNRXQZLRFPACBM-IAGOWNOFSA-N 1 3 311.514 2.449 20 0 DEADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1C ZINC001102475548 793626620 /nfs/dbraw/zinc/62/66/20/793626620.db2.gz SNRXQZLRFPACBM-IAGOWNOFSA-N 1 3 311.514 2.449 20 0 DEADHO CCCN1C[C@@H]2C[NH+]([C@@H]3CC[C@@H](CC(=O)OCC)C3)C[C@H]2C1 ZINC001173661116 793797987 /nfs/dbraw/zinc/79/79/87/793797987.db2.gz OXUSTDUAKDGITA-QBPKDAKJSA-N 1 3 308.466 2.382 20 0 DEADHO COC(=O)c1ccc(C[C@@H](C)[N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)cc1 ZINC001173724147 793824108 /nfs/dbraw/zinc/82/41/08/793824108.db2.gz UEZUOWCBUAVGTD-OLMNPRSZSA-N 1 3 316.445 2.288 20 0 DEADHO COC(=O)c1ccc(C[C@@H](C)[N@H+]2C[C@H]3CCN(C)C[C@H]3C2)cc1 ZINC001173724147 793824119 /nfs/dbraw/zinc/82/41/19/793824119.db2.gz UEZUOWCBUAVGTD-OLMNPRSZSA-N 1 3 316.445 2.288 20 0 DEADHO c1nnn([C@@H]2CCC[C@H]([NH+]3CCC(N4CCCCC4)CC3)C2)n1 ZINC001173753588 793838511 /nfs/dbraw/zinc/83/85/11/793838511.db2.gz IIMIAWLJZHPPOE-DLBZAZTESA-N 1 3 318.469 2.107 20 0 DEADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C ZINC001103550265 794140811 /nfs/dbraw/zinc/14/08/11/794140811.db2.gz IFFRBXHOZIDNDY-NVXWUHKLSA-N 1 3 309.498 2.203 20 0 DEADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C ZINC001103550265 794140814 /nfs/dbraw/zinc/14/08/14/794140814.db2.gz IFFRBXHOZIDNDY-NVXWUHKLSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[NH2+]CC1CCC(F)(F)CC1 ZINC001176975758 794546140 /nfs/dbraw/zinc/54/61/40/794546140.db2.gz XGDZIYSGUSOZTA-UHFFFAOYSA-N 1 3 319.440 2.248 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C)cc1 ZINC001176985993 794546971 /nfs/dbraw/zinc/54/69/71/794546971.db2.gz APYYFAATGSIEHJ-SFHVURJKSA-N 1 3 317.477 2.465 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1cccc(F)c1 ZINC001176986304 794547684 /nfs/dbraw/zinc/54/76/84/794547684.db2.gz JZYRGRMXPIXZNH-QGZVFWFLSA-N 1 3 321.440 2.296 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[NH2+]Cc1ccc(Cl)s1 ZINC001176980346 794547885 /nfs/dbraw/zinc/54/78/85/794547885.db2.gz CLARYMDZIZKNIO-UHFFFAOYSA-N 1 3 317.886 2.338 20 0 DEADHO CC[C@H](C(=O)N(CCC[NH2+]CCF)CC1CCCC1)N(C)C ZINC001177348877 794651919 /nfs/dbraw/zinc/65/19/19/794651919.db2.gz PILMURVUDWGFQQ-MRXNPFEDSA-N 1 3 315.477 2.295 20 0 DEADHO CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@H](CC)N(C)C)CCCCC1 ZINC001115734687 794900857 /nfs/dbraw/zinc/90/08/57/794900857.db2.gz ZFYALCFKYWYGGK-CABCVRRESA-N 1 3 315.477 2.483 20 0 DEADHO CN(C)[C@H](C(=O)NCCCCCC[NH2+]C/C=C/Cl)C1CC1 ZINC001178698841 794981204 /nfs/dbraw/zinc/98/12/04/794981204.db2.gz WMTSAUXDVAMRJX-VSGCLNPGSA-N 1 3 315.889 2.345 20 0 DEADHO CCOCCC[NH2+]CCCCCCNC(=O)[C@@H](CC)N(C)C ZINC001178820141 795014242 /nfs/dbraw/zinc/01/42/42/795014242.db2.gz UKGWIVIVLILOIW-MRXNPFEDSA-N 1 3 315.502 2.019 20 0 DEADHO CC/C=C/CC[NH2+][C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)[C@H]1C ZINC001179538398 795134675 /nfs/dbraw/zinc/13/46/75/795134675.db2.gz CLLKSKRSGJYXHM-RKOVHHPESA-N 1 3 307.482 2.264 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCCCCC[NH2+]CC2CCC2)C1 ZINC001179586442 795137987 /nfs/dbraw/zinc/13/79/87/795137987.db2.gz OSUJPAWDKOVZEK-INIZCTEOSA-N 1 3 309.498 2.395 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)[C@@H]1C ZINC001179764257 795174799 /nfs/dbraw/zinc/17/47/99/795174799.db2.gz WFNCPOAJAAZRCL-RDJZCZTQSA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2F)[C@@H]1C ZINC001180222330 795259063 /nfs/dbraw/zinc/25/90/63/795259063.db2.gz NARANKHOMACLJJ-YOEHRIQHSA-N 1 3 321.440 2.245 20 0 DEADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)[C@H]2C)cs1 ZINC001180226864 795259726 /nfs/dbraw/zinc/25/97/26/795259726.db2.gz QDKBWYRLAQVMFH-HOCLYGCPSA-N 1 3 323.506 2.476 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CCF)C1 ZINC001120449082 795462452 /nfs/dbraw/zinc/46/24/52/795462452.db2.gz JDTFVHGIIFRDLU-JKSUJKDBSA-N 1 3 313.461 2.001 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CCF)C1 ZINC001120449082 795462456 /nfs/dbraw/zinc/46/24/56/795462456.db2.gz JDTFVHGIIFRDLU-JKSUJKDBSA-N 1 3 313.461 2.001 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CC2CC2)C1 ZINC001120468172 795466136 /nfs/dbraw/zinc/46/61/36/795466136.db2.gz DHMYJGHLDUSTFM-QZTJIDSGSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+]2CC2CC2)C1 ZINC001120468172 795466138 /nfs/dbraw/zinc/46/61/38/795466138.db2.gz DHMYJGHLDUSTFM-QZTJIDSGSA-N 1 3 321.509 2.440 20 0 DEADHO CCCC[NH2+]C1CC2(CC(NC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001121238961 795607124 /nfs/dbraw/zinc/60/71/24/795607124.db2.gz ZNRUJURUJRTTAG-UHFFFAOYSA-N 1 3 307.482 2.288 20 0 DEADHO CC[C@H](C(=O)NC1CC2(C1)CC([NH2+]CCC1CC1)C2)N(C)C ZINC001121289544 795612649 /nfs/dbraw/zinc/61/26/49/795612649.db2.gz XBDKYJJGCFRGBD-LMBQMVEXSA-N 1 3 307.482 2.144 20 0 DEADHO CC[C@H](C(=O)NC1CC2(C1)CC([NH2+]CC1CC(C)C1)C2)N(C)C ZINC001121302060 795614762 /nfs/dbraw/zinc/61/47/62/795614762.db2.gz LXFDZUMDNASTIV-CMPFZWEDSA-N 1 3 321.509 2.390 20 0 DEADHO CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001121773639 795686006 /nfs/dbraw/zinc/68/60/06/795686006.db2.gz SVUNCBWVUYUXKK-XLWKGDHDSA-N 1 3 321.509 2.391 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCC2)C1)N(C)C ZINC001182517333 795696933 /nfs/dbraw/zinc/69/69/33/795696933.db2.gz QNHQDAPNGQHKJF-SZVBFZGTSA-N 1 3 323.525 2.447 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2CC2CC2)[C@@H](C)C1 ZINC001182562939 795706975 /nfs/dbraw/zinc/70/69/75/795706975.db2.gz UBHGDKGGQMSMEW-UAGQMJEPSA-N 1 3 307.482 2.096 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2CC2CC2)[C@@H](C)C1 ZINC001182562939 795706981 /nfs/dbraw/zinc/70/69/81/795706981.db2.gz UBHGDKGGQMSMEW-UAGQMJEPSA-N 1 3 307.482 2.096 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@]1(C)C[NH2+]CCF ZINC001182623523 795713609 /nfs/dbraw/zinc/71/36/09/795713609.db2.gz OIBRRUWBGIYMGB-RHSMWYFYSA-N 1 3 315.477 2.008 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1CC2(C1)CC([NH2+]CC[C@H](C)F)C2 ZINC001122118709 795728373 /nfs/dbraw/zinc/72/83/73/795728373.db2.gz RIQXCXBCQLPCDV-WZQMPWGVSA-N 1 3 322.428 2.026 20 0 DEADHO C[NH+](C)[C@H]1C[C@@H](C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC001183376143 795868475 /nfs/dbraw/zinc/86/84/75/795868475.db2.gz QOUGEAYEFXODEK-FGTMMUONSA-N 1 3 315.461 2.280 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC001183738620 795925874 /nfs/dbraw/zinc/92/58/74/795925874.db2.gz MNBPKJPRHLPCQR-QGZVFWFLSA-N 1 3 317.477 2.150 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001185447190 796270139 /nfs/dbraw/zinc/27/01/39/796270139.db2.gz XNSLVARWVCKNMZ-BRWVUGGUSA-N 1 3 311.514 2.445 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001185659934 796301796 /nfs/dbraw/zinc/30/17/96/796301796.db2.gz UCRREFXAVKTUBJ-NVXWUHKLSA-N 1 3 307.482 2.099 20 0 DEADHO CCc1cccc(C[NH2+][C@@H]2CCN(C(=O)CN(CC)CC)C2)c1 ZINC001186452033 796403245 /nfs/dbraw/zinc/40/32/45/796403245.db2.gz JGQSQRGVBJAMSU-GOSISDBHSA-N 1 3 317.477 2.281 20 0 DEADHO CCc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001186452218 796403257 /nfs/dbraw/zinc/40/32/57/796403257.db2.gz MHPGLPCGOZMYJI-GOSISDBHSA-N 1 3 317.477 2.281 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001186486599 796408214 /nfs/dbraw/zinc/40/82/14/796408214.db2.gz BYJSKMJKGCQEOG-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC001186457829 796408656 /nfs/dbraw/zinc/40/86/56/796408656.db2.gz BTSMRYYYULVKAQ-QGZVFWFLSA-N 1 3 303.450 2.027 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001186496435 796408719 /nfs/dbraw/zinc/40/87/19/796408719.db2.gz HJFUCOUJRMOVIB-NVXWUHKLSA-N 1 3 303.450 2.280 20 0 DEADHO COc1cc(CN2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)ccc1C ZINC001140159100 796484848 /nfs/dbraw/zinc/48/48/48/796484848.db2.gz RITDYNQJFDVDJB-ZWKOTPCHSA-N 1 3 317.477 2.214 20 0 DEADHO COc1cc(CN2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)ccc1C ZINC001140159100 796484853 /nfs/dbraw/zinc/48/48/53/796484853.db2.gz RITDYNQJFDVDJB-ZWKOTPCHSA-N 1 3 317.477 2.214 20 0 DEADHO CC(C)=CC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C12CCC2 ZINC001203026976 796513234 /nfs/dbraw/zinc/51/32/34/796513234.db2.gz BFJBYNFYAIWNOJ-DLBZAZTESA-N 1 3 319.493 2.454 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)sc2C)C1 ZINC001187306951 796522380 /nfs/dbraw/zinc/52/23/80/796522380.db2.gz RTJQZDKFHMEWEH-MRXNPFEDSA-N 1 3 323.506 2.397 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001188158493 796640921 /nfs/dbraw/zinc/64/09/21/796640921.db2.gz QGFKUDFEHDQDGA-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1cc(CN2C[C@@H]3CCN(C(=O)CC[NH+](C)C)[C@@H]3C2)cs1 ZINC001189055505 796760881 /nfs/dbraw/zinc/76/08/81/796760881.db2.gz XFFDSTUQTHXJJQ-JKSUJKDBSA-N 1 3 321.490 2.041 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)CC2CCCC2)C1 ZINC001190997001 797128231 /nfs/dbraw/zinc/12/82/31/797128231.db2.gz PKSFKSRLNDNQOX-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)CC2CCCC2)C1 ZINC001190997001 797128234 /nfs/dbraw/zinc/12/82/34/797128234.db2.gz PKSFKSRLNDNQOX-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(Cl)cc1 ZINC001152452259 797189469 /nfs/dbraw/zinc/18/94/69/797189469.db2.gz YMGVXOZHCSSSKF-INIZCTEOSA-N 1 3 323.868 2.420 20 0 DEADHO CN(Cc1cccc(F)c1)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192037548 797308912 /nfs/dbraw/zinc/30/89/12/797308912.db2.gz HQVKUEDZRLPNOI-QGZVFWFLSA-N 1 3 321.440 2.200 20 0 DEADHO CC[N@H+](CCC1CC1)[C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001153313414 797320059 /nfs/dbraw/zinc/32/00/59/797320059.db2.gz QHALODFANWOTJB-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO CC[N@@H+](CCC1CC1)[C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001153313414 797320065 /nfs/dbraw/zinc/32/00/65/797320065.db2.gz QHALODFANWOTJB-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO CC[N@H+](CCCF)[C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001153367647 797329714 /nfs/dbraw/zinc/32/97/14/797329714.db2.gz AOPXHRVNVUPPEG-OAHLLOKOSA-N 1 3 315.477 2.437 20 0 DEADHO CC[N@@H+](CCCF)[C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001153367647 797329720 /nfs/dbraw/zinc/32/97/20/797329720.db2.gz AOPXHRVNVUPPEG-OAHLLOKOSA-N 1 3 315.477 2.437 20 0 DEADHO CC[N@H+](CC1CCCC1)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001153802646 797399427 /nfs/dbraw/zinc/39/94/27/797399427.db2.gz LJHSNZSAVFYGGA-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001153802646 797399434 /nfs/dbraw/zinc/39/94/34/797399434.db2.gz LJHSNZSAVFYGGA-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO C[N@H+](CCCC1CCC1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192550487 797405030 /nfs/dbraw/zinc/40/50/30/797405030.db2.gz IKWNTQQUMZRTEO-INIZCTEOSA-N 1 3 304.438 2.065 20 0 DEADHO C[N@@H+](CCCC1CCC1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192550487 797405034 /nfs/dbraw/zinc/40/50/34/797405034.db2.gz IKWNTQQUMZRTEO-INIZCTEOSA-N 1 3 304.438 2.065 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)CCC2CCCC2)C1 ZINC001192947438 797473745 /nfs/dbraw/zinc/47/37/45/797473745.db2.gz IMFJYWZBCZNZHV-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001192947438 797473748 /nfs/dbraw/zinc/47/37/48/797473748.db2.gz IMFJYWZBCZNZHV-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001192960559 797474909 /nfs/dbraw/zinc/47/49/09/797474909.db2.gz RBVSRVNVHJBUQU-KRWDZBQOSA-N 1 3 307.482 2.361 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001192960559 797474911 /nfs/dbraw/zinc/47/49/11/797474911.db2.gz RBVSRVNVHJBUQU-KRWDZBQOSA-N 1 3 307.482 2.361 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(F)cc2)C1 ZINC001193620835 797594146 /nfs/dbraw/zinc/59/41/46/797594146.db2.gz BSFBLWNIGLJFLJ-KRWDZBQOSA-N 1 3 321.440 2.200 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001193620835 797594148 /nfs/dbraw/zinc/59/41/48/797594148.db2.gz BSFBLWNIGLJFLJ-KRWDZBQOSA-N 1 3 321.440 2.200 20 0 DEADHO Cc1cccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001194286509 797709430 /nfs/dbraw/zinc/70/94/30/797709430.db2.gz YYFASAQXJJKXNH-SFHVURJKSA-N 1 3 317.477 2.368 20 0 DEADHO Cc1cccc(C[N@H+](C)[C@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001194286509 797709435 /nfs/dbraw/zinc/70/94/35/797709435.db2.gz YYFASAQXJJKXNH-SFHVURJKSA-N 1 3 317.477 2.368 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(F)cc2)C1 ZINC001194284377 797710101 /nfs/dbraw/zinc/71/01/01/797710101.db2.gz GZWXTIRZBKGNGQ-QGZVFWFLSA-N 1 3 321.440 2.199 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001194284377 797710103 /nfs/dbraw/zinc/71/01/03/797710103.db2.gz GZWXTIRZBKGNGQ-QGZVFWFLSA-N 1 3 321.440 2.199 20 0 DEADHO CC[N@H+](CCCCCF)[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001155255587 797718728 /nfs/dbraw/zinc/71/87/28/797718728.db2.gz VAYHCULIQFNVJF-JKSUJKDBSA-N 1 3 315.477 2.295 20 0 DEADHO CC[N@@H+](CCCCCF)[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001155255587 797718734 /nfs/dbraw/zinc/71/87/34/797718734.db2.gz VAYHCULIQFNVJF-JKSUJKDBSA-N 1 3 315.477 2.295 20 0 DEADHO N=C(N)N(CCCC[NH3+])C(=O)c1cccc2c(F)cccc12 ZINC001156104850 797926104 /nfs/dbraw/zinc/92/61/04/797926104.db2.gz ULZRYNAGHOUSRM-UHFFFAOYSA-N 1 3 302.353 2.053 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCCN(CCCCCF)CC1)[NH+](C)C ZINC001196215837 798022970 /nfs/dbraw/zinc/02/29/70/798022970.db2.gz WJICOQAFHSQZJZ-INIZCTEOSA-N 1 3 315.477 2.247 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[N@H+](CCCCCF)CC1)N(C)C ZINC001196215837 798022977 /nfs/dbraw/zinc/02/29/77/798022977.db2.gz WJICOQAFHSQZJZ-INIZCTEOSA-N 1 3 315.477 2.247 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[N@@H+](CCCCCF)CC1)N(C)C ZINC001196215837 798022985 /nfs/dbraw/zinc/02/29/85/798022985.db2.gz WJICOQAFHSQZJZ-INIZCTEOSA-N 1 3 315.477 2.247 20 0 DEADHO CCN(Cc1ccc(F)cc1)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001156882772 798100668 /nfs/dbraw/zinc/10/06/68/798100668.db2.gz MLRLFJNMPNTZEL-ZBFHGGJFSA-N 1 3 321.440 2.104 20 0 DEADHO CCN(Cc1ccc(F)cc1)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001156882772 798100673 /nfs/dbraw/zinc/10/06/73/798100673.db2.gz MLRLFJNMPNTZEL-ZBFHGGJFSA-N 1 3 321.440 2.104 20 0 DEADHO C[N@@H+]1CCC[C@H]2CN(c3ncccc3CN3CCCC3)C[C@@H]21 ZINC001157281331 798176113 /nfs/dbraw/zinc/17/61/13/798176113.db2.gz FTWJSQSOOCFCBY-RDJZCZTQSA-N 1 3 300.450 2.208 20 0 DEADHO C[N@H+]1CCC[C@H]2CN(c3ncccc3CN3CCCC3)C[C@@H]21 ZINC001157281331 798176118 /nfs/dbraw/zinc/17/61/18/798176118.db2.gz FTWJSQSOOCFCBY-RDJZCZTQSA-N 1 3 300.450 2.208 20 0 DEADHO CC[NH+](CC)[C@H](C(=O)N1CCCN(CC2CC2)CC1)C(C)C ZINC001197484678 798194242 /nfs/dbraw/zinc/19/42/42/798194242.db2.gz HZIMGMVLLQJTGX-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC000246526247 798245869 /nfs/dbraw/zinc/24/58/69/798245869.db2.gz ULYLZHZCPYILIW-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC000246526247 798245872 /nfs/dbraw/zinc/24/58/72/798245872.db2.gz ULYLZHZCPYILIW-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CCCc1ccc(C[NH2+]CCNC(=O)CN(C)C(C)C)cc1 ZINC001152426953 798302354 /nfs/dbraw/zinc/30/23/54/798302354.db2.gz RFHMTVBNVJTJLF-UHFFFAOYSA-N 1 3 305.466 2.185 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC(F)(F)C[C@@]1(C)CF ZINC001157952002 798311700 /nfs/dbraw/zinc/31/17/00/798311700.db2.gz KIRUOPUIUPEWTI-JSGCOSHPSA-N 1 3 323.403 2.078 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cc(C)cc(C)c1 ZINC001152446017 798322099 /nfs/dbraw/zinc/32/20/99/798322099.db2.gz RDZKDRDLFFSLKU-GOSISDBHSA-N 1 3 317.477 2.384 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CC[C@@H](C)F)N(C)C ZINC001158486758 798414855 /nfs/dbraw/zinc/41/48/55/798414855.db2.gz JJZDLPUORKKABA-OAGGEKHMSA-N 1 3 315.477 2.388 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC[C@@H](C)F)N(C)C ZINC001158486758 798414859 /nfs/dbraw/zinc/41/48/59/798414859.db2.gz JJZDLPUORKKABA-OAGGEKHMSA-N 1 3 315.477 2.388 20 0 DEADHO CC(C)c1nccc(N(C2CC[NH2+]CC2)C2CCN(C)CC2)n1 ZINC001158580290 798433452 /nfs/dbraw/zinc/43/34/52/798433452.db2.gz BCWNHRKBWZZESG-UHFFFAOYSA-N 1 3 317.481 2.253 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCF ZINC001158786618 798469085 /nfs/dbraw/zinc/46/90/85/798469085.db2.gz ARFUOSHXLRIILX-OAHLLOKOSA-N 1 3 301.450 2.001 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCF ZINC001158786618 798469088 /nfs/dbraw/zinc/46/90/88/798469088.db2.gz ARFUOSHXLRIILX-OAHLLOKOSA-N 1 3 301.450 2.001 20 0 DEADHO CN(C)[C@H](C(=O)NCCC[NH2+]CCCCC(F)(F)F)C1CC1 ZINC001159916804 798625677 /nfs/dbraw/zinc/62/56/77/798625677.db2.gz TVZCJOGSFONITQ-ZDUSSCGKSA-N 1 3 323.403 2.155 20 0 DEADHO C[C@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C)c1cccc(F)c1 ZINC001159932610 798628022 /nfs/dbraw/zinc/62/80/22/798628022.db2.gz SNLBFTZSOCORFM-SUMWQHHRSA-N 1 3 321.440 2.323 20 0 DEADHO CC(C)C[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001160407231 798684268 /nfs/dbraw/zinc/68/42/68/798684268.db2.gz ZASNAEVOFOCKGE-KRWDZBQOSA-N 1 3 309.498 2.367 20 0 DEADHO CC(C)C[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001160407231 798684270 /nfs/dbraw/zinc/68/42/70/798684270.db2.gz ZASNAEVOFOCKGE-KRWDZBQOSA-N 1 3 309.498 2.367 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]CCC(C)(C)C)CC1)C1CC1 ZINC001201053819 798711420 /nfs/dbraw/zinc/71/14/20/798711420.db2.gz YMEGNDSHSSWYGU-MRXNPFEDSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC2=CC[N@H+](CC3CCC3)CC2)C1 ZINC001161214087 798811629 /nfs/dbraw/zinc/81/16/29/798811629.db2.gz SOLQPFJVEFQXCR-INIZCTEOSA-N 1 3 319.493 2.267 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC2=CC[N@@H+](CC3CCC3)CC2)C1 ZINC001161214087 798811634 /nfs/dbraw/zinc/81/16/34/798811634.db2.gz SOLQPFJVEFQXCR-INIZCTEOSA-N 1 3 319.493 2.267 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CCCc1ccccc1 ZINC001161245107 798815529 /nfs/dbraw/zinc/81/55/29/798815529.db2.gz GQVFJGBWEVXDGR-UHFFFAOYSA-N 1 3 319.493 2.445 20 0 DEADHO CCN(C(=O)[C@H](N)C12CC3CC(CC(C3)C1)C2)[C@@H]1CCC[NH2+]C1 ZINC001161342188 798831948 /nfs/dbraw/zinc/83/19/48/798831948.db2.gz ZPOYSBPPGZCYLS-JDCLWGPVSA-N 1 3 319.493 2.131 20 0 DEADHO Cc1ccc([C@H](C)C(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001161443242 798860209 /nfs/dbraw/zinc/86/02/09/798860209.db2.gz NSLNCQIFEISLIA-FUHWJXTLSA-N 1 3 317.477 2.241 20 0 DEADHO CC(C)(C)CN(c1cc2c(nn1)CCNC2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161680454 798909803 /nfs/dbraw/zinc/90/98/03/798909803.db2.gz QQZHTMLYCDNAGF-SHTZXODSSA-N 1 3 317.481 2.245 20 0 DEADHO CCCN(C)CC(=O)NCCC1=CC[N@H+](CCC2CC2)CC1 ZINC001161755444 798931193 /nfs/dbraw/zinc/93/11/93/798931193.db2.gz YCPMVIFXPWEBCK-UHFFFAOYSA-N 1 3 307.482 2.267 20 0 DEADHO CCCN(C)CC(=O)NCCC1=CC[N@@H+](CCC2CC2)CC1 ZINC001161755444 798931199 /nfs/dbraw/zinc/93/11/99/798931199.db2.gz YCPMVIFXPWEBCK-UHFFFAOYSA-N 1 3 307.482 2.267 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC1=CC[N@H+](CC(C)C)CC1 ZINC001161790152 798937202 /nfs/dbraw/zinc/93/72/02/798937202.db2.gz MMKFWEGTTWNKPP-UHFFFAOYSA-N 1 3 304.438 2.055 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC1=CC[N@@H+](CC(C)C)CC1 ZINC001161790152 798937206 /nfs/dbraw/zinc/93/72/06/798937206.db2.gz MMKFWEGTTWNKPP-UHFFFAOYSA-N 1 3 304.438 2.055 20 0 DEADHO NCc1cc(N[C@@H](c2cccc(F)c2)C2CC[NH2+]CC2)ncn1 ZINC001161820628 798944145 /nfs/dbraw/zinc/94/41/45/798944145.db2.gz MYRWFZCMPMSKRU-QGZVFWFLSA-N 1 3 315.396 2.227 20 0 DEADHO CC(C)N(C)CC(=O)NCCC1=CC[N@H+](CCC2CC2)CC1 ZINC001161946952 798976033 /nfs/dbraw/zinc/97/60/33/798976033.db2.gz NRESOZMVFPSILW-UHFFFAOYSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)N(C)CC(=O)NCCC1=CC[N@@H+](CCC2CC2)CC1 ZINC001161946952 798976036 /nfs/dbraw/zinc/97/60/36/798976036.db2.gz NRESOZMVFPSILW-UHFFFAOYSA-N 1 3 307.482 2.265 20 0 DEADHO CC[C@@H](C(=O)N1CCC([NH2+]CC=C(Cl)Cl)CC1)N(C)C ZINC001202531307 799130697 /nfs/dbraw/zinc/13/06/97/799130697.db2.gz FHFGQPZNDNPAID-LBPRGKRZSA-N 1 3 322.280 2.226 20 0 DEADHO Cc1nc(N(C)C)cc(N2CCC(C3CC[NH+](C)CC3)CC2)n1 ZINC001165065679 799644347 /nfs/dbraw/zinc/64/43/47/799644347.db2.gz MARKCRUAOBREFT-UHFFFAOYSA-N 1 3 317.481 2.409 20 0 DEADHO CN(C)[C@H](C(=O)NCCC1(C[NH2+]CC2CCC2)CC1)C1CC1 ZINC001165485057 799737263 /nfs/dbraw/zinc/73/72/63/799737263.db2.gz KRBWPMUZNWGENH-INIZCTEOSA-N 1 3 307.482 2.003 20 0 DEADHO CC[C@H](C(=O)NCCC1(C[NH2+]Cc2ccccc2)CC1)N(C)C ZINC001165729058 799766163 /nfs/dbraw/zinc/76/61/63/799766163.db2.gz YEFMTDJCHLBIIF-QGZVFWFLSA-N 1 3 317.477 2.403 20 0 DEADHO C[C@@H](NCCCNC(=O)CC[NH+](C)C)c1cc(F)ccc1F ZINC001165800588 799776746 /nfs/dbraw/zinc/77/67/46/799776746.db2.gz DIZDBLDXFGNBQR-GFCCVEGCSA-N 1 3 313.392 2.073 20 0 DEADHO CC(C)[NH+]1CCC(CNc2ccc3c(n2)OCCNC3)CC1 ZINC001166602978 799897382 /nfs/dbraw/zinc/89/73/82/799897382.db2.gz DMJHJYUKPXHCBR-UHFFFAOYSA-N 1 3 304.438 2.096 20 0 DEADHO C[C@@H]([NH2+]CCCNC(=O)CN1CC[C@@H](C)C1)c1ccccc1F ZINC001166676952 799917606 /nfs/dbraw/zinc/91/76/06/799917606.db2.gz FCBRXMRXNFMLBS-HUUCEWRRSA-N 1 3 321.440 2.324 20 0 DEADHO C[C@@H]([NH2+]CCCNC(=O)CN1CC[C@H](C)C1)c1ccc(F)cc1 ZINC001166678914 799919489 /nfs/dbraw/zinc/91/94/89/799919489.db2.gz ZAIKDDUAVDIGGS-LSDHHAIUSA-N 1 3 321.440 2.324 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001166857674 799966725 /nfs/dbraw/zinc/96/67/25/799966725.db2.gz FYNACJNGSKFGBO-INIZCTEOSA-N 1 3 309.429 2.070 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001203924574 800146868 /nfs/dbraw/zinc/14/68/68/800146868.db2.gz DXDIIXUPEABTJE-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CCN1C[C@@H]2C[C@H]1CN2Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204272319 800198308 /nfs/dbraw/zinc/19/83/08/800198308.db2.gz NKZOYZPDYWGSEW-ROUUACIJSA-N 1 3 317.477 2.296 20 0 DEADHO COc1ccc(CCN(C)CC[C@H]2COC(C)(C)[NH2+]2)cc1OC ZINC001204870409 800268345 /nfs/dbraw/zinc/26/83/45/800268345.db2.gz SHPKWMDSOWQXPF-HNNXBMFYSA-N 1 3 322.449 2.293 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC(C[NH2+]CCC2CC2)CC1)N(C)C ZINC001205490481 800362935 /nfs/dbraw/zinc/36/29/35/800362935.db2.gz INFVVNHKTILHPY-KRWDZBQOSA-N 1 3 309.498 2.201 20 0 DEADHO COc1cc(CN2CCC[C@](F)(C[NH3+])CC2)cc2c1OCO2 ZINC001205545715 800374346 /nfs/dbraw/zinc/37/43/46/800374346.db2.gz MHDYYKTUVODUAH-MRXNPFEDSA-N 1 3 310.369 2.077 20 0 DEADHO COc1ccc2c(c1)[nH]nc2CN1CCC[C@](F)(C[NH3+])CC1 ZINC001205592583 800382255 /nfs/dbraw/zinc/38/22/55/800382255.db2.gz WQCHLDBHWAWPNM-MRXNPFEDSA-N 1 3 306.385 2.224 20 0 DEADHO C[C@@H]1CCN(Cc2cc(F)cc3c2OCOC3)CC[C@H]1C[NH3+] ZINC001205625657 800388470 /nfs/dbraw/zinc/38/84/70/800388470.db2.gz CFHRUFXKEIAUST-OLZOCXBDSA-N 1 3 308.397 2.499 20 0 DEADHO Cc1cc(CN(C)C)cc(NC(=O)COC2CC[NH+](C)CC2)c1 ZINC000935112259 800563297 /nfs/dbraw/zinc/56/32/97/800563297.db2.gz XUCDAQJXPXIXOT-UHFFFAOYSA-N 1 3 319.449 2.106 20 0 DEADHO CN1CC[C@H](NC(=O)CC[NH2+]C(C)(C)C)[C@@H]1c1ccccc1 ZINC000935117562 800565407 /nfs/dbraw/zinc/56/54/07/800565407.db2.gz GNDWRZIVZAXXPO-RDJZCZTQSA-N 1 3 303.450 2.326 20 0 DEADHO Cc1cc(CN2CCCC[C@H](C[NH3+])C2)cc(C)c1OCCO ZINC001206639539 800569117 /nfs/dbraw/zinc/56/91/17/800569117.db2.gz DQZJXAMJLYBYKX-MRXNPFEDSA-N 1 3 306.450 2.235 20 0 DEADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CC(C)(C)N1CCOCC1 ZINC001207305109 800726173 /nfs/dbraw/zinc/72/61/73/800726173.db2.gz QYQXIBGHIQPWRS-ZWKOTPCHSA-N 1 3 323.525 2.436 20 0 DEADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1CC(C)(C)N1CCOCC1 ZINC001207305109 800726178 /nfs/dbraw/zinc/72/61/78/800726178.db2.gz QYQXIBGHIQPWRS-ZWKOTPCHSA-N 1 3 323.525 2.436 20 0 DEADHO C[NH+](C)CC(=O)N[C@@H]1CCCN(CCc2cccc(Cl)c2)C1 ZINC001207425891 800748291 /nfs/dbraw/zinc/74/82/91/800748291.db2.gz SRTWWVJEFRPUBB-MRXNPFEDSA-N 1 3 323.868 2.025 20 0 DEADHO CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(C)C)C(C)C ZINC001111164404 800855756 /nfs/dbraw/zinc/85/57/56/800855756.db2.gz XVVUGDXHVKTPGH-NCOADZHNSA-N 1 3 309.498 2.483 20 0 DEADHO CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208328919 800956830 /nfs/dbraw/zinc/95/68/30/800956830.db2.gz KLEMFDQIUJEULT-OGZRUICASA-N 1 3 307.482 2.408 20 0 DEADHO CC/C=C\CC[NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001208341164 800959696 /nfs/dbraw/zinc/95/96/96/800959696.db2.gz VOCIBOIIAOJVTG-AWFCHZOYSA-N 1 3 307.482 2.408 20 0 DEADHO CN1CCN(Cc2ccccc2NC2=CC[N@H+](C)CC2)CC1 ZINC001208845533 801078366 /nfs/dbraw/zinc/07/83/66/801078366.db2.gz YCNYYVZBJSMZDL-UHFFFAOYSA-N 1 3 300.450 2.065 20 0 DEADHO CN1CCN(Cc2ccccc2NC2=CC[N@@H+](C)CC2)CC1 ZINC001208845533 801078372 /nfs/dbraw/zinc/07/83/72/801078372.db2.gz YCNYYVZBJSMZDL-UHFFFAOYSA-N 1 3 300.450 2.065 20 0 DEADHO CC(=O)N[C@@H]1CCC[N@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208948604 801099842 /nfs/dbraw/zinc/09/98/42/801099842.db2.gz HBLWHNASRKKQMX-RTBURBONSA-N 1 3 315.461 2.109 20 0 DEADHO CC(=O)N[C@@H]1CCC[N@@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208948604 801099847 /nfs/dbraw/zinc/09/98/47/801099847.db2.gz HBLWHNASRKKQMX-RTBURBONSA-N 1 3 315.461 2.109 20 0 DEADHO COC(=O)[C@@H]1CCCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208948983 801100851 /nfs/dbraw/zinc/10/08/51/801100851.db2.gz UTRGEWQIPPSASK-QZTJIDSGSA-N 1 3 316.445 2.394 20 0 DEADHO COC(=O)[C@@H]1CCCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208948983 801100853 /nfs/dbraw/zinc/10/08/53/801100853.db2.gz UTRGEWQIPPSASK-QZTJIDSGSA-N 1 3 316.445 2.394 20 0 DEADHO c1ccc(C[N@@H+]2C[C@H]3CN(CCCC4OCCO4)C[C@H]3C2)cc1 ZINC001209310871 801169414 /nfs/dbraw/zinc/16/94/14/801169414.db2.gz TZFVVXRTIAHULF-HDICACEKSA-N 1 3 316.445 2.203 20 0 DEADHO c1ccc(C[N@H+]2C[C@H]3CN(CCCC4OCCO4)C[C@H]3C2)cc1 ZINC001209310871 801169416 /nfs/dbraw/zinc/16/94/16/801169416.db2.gz TZFVVXRTIAHULF-HDICACEKSA-N 1 3 316.445 2.203 20 0 DEADHO CC[C@@H](C[N@@H+]1CC[C@@]2(CCN(C)C2)C1)NC(=O)OC(C)(C)C ZINC001209465520 801195833 /nfs/dbraw/zinc/19/58/33/801195833.db2.gz GRWLWGHCFYERMK-WMLDXEAASA-N 1 3 311.470 2.317 20 0 DEADHO CC[C@@H](C[N@H+]1CC[C@@]2(CCN(C)C2)C1)NC(=O)OC(C)(C)C ZINC001209465520 801195837 /nfs/dbraw/zinc/19/58/37/801195837.db2.gz GRWLWGHCFYERMK-WMLDXEAASA-N 1 3 311.470 2.317 20 0 DEADHO CC/C=C\CC[NH+]1CCC(NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001229184829 801237534 /nfs/dbraw/zinc/23/75/34/801237534.db2.gz CSIRQXDYFRDKTH-AWFCHZOYSA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)CCC[NH+]1CCC(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001229185533 801238718 /nfs/dbraw/zinc/23/87/18/801238718.db2.gz NMKRSWXGDMKMIX-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001209633209 801239634 /nfs/dbraw/zinc/23/96/34/801239634.db2.gz SQDWLLDIMWFDSA-OSNZYPHYSA-N 1 3 307.482 2.408 20 0 DEADHO Nc1ccncc1C[NH+]1CCC2(CC1)OC(=O)c1ccccc12 ZINC001209735218 801270745 /nfs/dbraw/zinc/27/07/45/801270745.db2.gz XLKWEOYJPFKVSR-UHFFFAOYSA-N 1 3 309.369 2.156 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]([NH2+]CCCF)C2)c1 ZINC001211240963 801536226 /nfs/dbraw/zinc/53/62/26/801536226.db2.gz PWTQENYIQKUNLY-QGZVFWFLSA-N 1 3 321.440 2.302 20 0 DEADHO Cc1cc(CN2CCN(CC3CC[NH+](C)CC3)CC2)cc(C)n1 ZINC001232004466 801767675 /nfs/dbraw/zinc/76/76/75/801767675.db2.gz PZWPDSYABRUMOL-UHFFFAOYSA-N 1 3 316.493 2.158 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CCCCCF ZINC001214861027 801768432 /nfs/dbraw/zinc/76/84/32/801768432.db2.gz GBUMSPFOEXQFDA-GDBMZVCRSA-N 1 3 313.461 2.047 20 0 DEADHO COC(=O)/C=C/c1ccc(CN(C)C2CC[NH+](C)CC2)cc1 ZINC001233295581 802067783 /nfs/dbraw/zinc/06/77/83/802067783.db2.gz GQMFOIFYPCODSE-CMDGGOBGSA-N 1 3 302.418 2.399 20 0 DEADHO Cc1ccccc1-c1cccc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c1 ZINC001218957851 802264695 /nfs/dbraw/zinc/26/46/95/802264695.db2.gz VMKPNKLWSFANPZ-SFHVURJKSA-N 1 3 321.424 2.410 20 0 DEADHO CCCCC[C@H]([NH2+]C)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC001219029533 802276303 /nfs/dbraw/zinc/27/63/03/802276303.db2.gz BQUVJPZJMYNRSF-HNNXBMFYSA-N 1 3 305.422 2.275 20 0 DEADHO Cc1nc2cc(NC(=O)[C@@H](N)C3CC[NH2+]CC3)c(C)cc2s1 ZINC001219105359 802282155 /nfs/dbraw/zinc/28/21/55/802282155.db2.gz GXCYAJRYBQHEDY-HNNXBMFYSA-N 1 3 318.446 2.179 20 0 DEADHO [NH3+]Cc1ccc(NC(=O)c2csc([C@@H]3CCCN3)n2)cc1 ZINC001219349088 802315766 /nfs/dbraw/zinc/31/57/66/802315766.db2.gz BSGMUPXFJOMIMA-LBPRGKRZSA-N 1 3 302.403 2.279 20 0 DEADHO CC/C=C\CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001234403835 802370753 /nfs/dbraw/zinc/37/07/53/802370753.db2.gz ZTSSMVQQCLTTQN-BEGMFMCTSA-N 1 3 307.482 2.216 20 0 DEADHO CC/C=C\CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001234403835 802370762 /nfs/dbraw/zinc/37/07/62/802370762.db2.gz ZTSSMVQQCLTTQN-BEGMFMCTSA-N 1 3 307.482 2.216 20 0 DEADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@H]1CCCC[NH2+]C1 ZINC001221062855 802525742 /nfs/dbraw/zinc/52/57/42/802525742.db2.gz CSRRNPYDLYFEQF-ROUUACIJSA-N 1 3 315.461 2.157 20 0 DEADHO CCOC(=O)[C@@]12C[N@H+](CCC3CCCC3)C[C@@H]1CNCCC2 ZINC001222125782 802647468 /nfs/dbraw/zinc/64/74/68/802647468.db2.gz WDZDJWPYRLBDIP-WMZOPIPTSA-N 1 3 308.466 2.431 20 0 DEADHO CCOC(=O)[C@@]12C[N@@H+](CCC3CCCC3)C[C@@H]1CNCCC2 ZINC001222125782 802647473 /nfs/dbraw/zinc/64/74/73/802647473.db2.gz WDZDJWPYRLBDIP-WMZOPIPTSA-N 1 3 308.466 2.431 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCCF)N(C)C ZINC001227057564 803193796 /nfs/dbraw/zinc/19/37/96/803193796.db2.gz VRAOSLWOOKRPRS-BZUAXINKSA-N 1 3 315.477 2.483 20 0 DEADHO CC(C)CCC[NH+]1CCC(NC(=O)C2(N(C)C)CCC2)CC1 ZINC001227806983 803283208 /nfs/dbraw/zinc/28/32/08/803283208.db2.gz JMTNQNTXXQTXQK-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)NC1CC[NH+](CC2=CCCCC2)CC1)N(C)C ZINC001227979836 803301284 /nfs/dbraw/zinc/30/12/84/803301284.db2.gz LVEDPAPCMJQVPX-QGZVFWFLSA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001417761315 1167194397 /nfs/dbraw/zinc/19/43/97/1167194397.db2.gz ALZPERCJNUCQAD-IYBDPMFKSA-N 1 3 309.498 2.391 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001331016283 1149360840 /nfs/dbraw/zinc/36/08/40/1149360840.db2.gz DDJWRXYVBXUYDI-SFHVURJKSA-N 1 3 309.498 2.491 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]([NH2+]CC1CC(C)(C)C1)C1CC1)N(C)C ZINC001370167461 1149411720 /nfs/dbraw/zinc/41/17/20/1149411720.db2.gz LXIVHRTXUFGEMU-SJORKVTESA-N 1 3 323.525 2.493 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]([NH2+]CC2CCCC2)C2CC2)CCC1 ZINC001370174333 1149414618 /nfs/dbraw/zinc/41/46/18/1149414618.db2.gz ZXTRBEKBJALXEI-INIZCTEOSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)N(C)CC(=O)NCCC1CC[NH+](CCC2CC2)CC1 ZINC001419418460 1168459474 /nfs/dbraw/zinc/45/94/74/1168459474.db2.gz YYFUCDYRPJPLCI-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001420008230 1169054371 /nfs/dbraw/zinc/05/43/71/1169054371.db2.gz DSEJISHQASDDBO-SJORKVTESA-N 1 3 309.498 2.203 20 0 DEADHO CC[N@H+](CCNC(=O)CN(C)C(C)C)Cc1ccc(C)cc1 ZINC001420451481 1169573636 /nfs/dbraw/zinc/57/36/36/1169573636.db2.gz SMCDMJCONUZDSC-UHFFFAOYSA-N 1 3 305.466 2.273 20 0 DEADHO CC[N@@H+](CCNC(=O)CN(C)C(C)C)Cc1ccc(C)cc1 ZINC001420451481 1169573638 /nfs/dbraw/zinc/57/36/38/1169573638.db2.gz SMCDMJCONUZDSC-UHFFFAOYSA-N 1 3 305.466 2.273 20 0 DEADHO CC[C@H](C)C[NH2+]C[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001368449372 1148448484 /nfs/dbraw/zinc/44/84/84/1148448484.db2.gz MUFXSNIBHLEBIC-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001368473696 1148459756 /nfs/dbraw/zinc/45/97/56/1148459756.db2.gz HPORNLWPFSWLJS-GZTRABLKSA-N 1 3 313.873 2.096 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[N@H+](C)C/C=C\c1ccccc1)N(C)C ZINC001368952381 1148803965 /nfs/dbraw/zinc/80/39/65/1148803965.db2.gz KFNXFTDMSBEIGU-XOFUYBQVSA-N 1 3 317.477 2.477 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)C/C=C\c1ccccc1)N(C)C ZINC001368952381 1148803966 /nfs/dbraw/zinc/80/39/66/1148803966.db2.gz KFNXFTDMSBEIGU-XOFUYBQVSA-N 1 3 317.477 2.477 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001368493849 1148466545 /nfs/dbraw/zinc/46/65/45/1148466545.db2.gz FAPNPUJCPMXJQQ-OTVXOJSOSA-N 1 3 323.868 2.276 20 0 DEADHO CC(C)(C[NH3+])C1CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001603143875 1069887064 /nfs/dbraw/zinc/88/70/64/1069887064.db2.gz MCYOBXJUHMADGI-UHFFFAOYSA-N 1 3 314.437 2.064 20 0 DEADHO CC(C)(C[NH3+])C1CC[NH+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001603143875 1069887083 /nfs/dbraw/zinc/88/70/83/1069887083.db2.gz MCYOBXJUHMADGI-UHFFFAOYSA-N 1 3 314.437 2.064 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3)C2)C1 ZINC001368500750 1148469634 /nfs/dbraw/zinc/46/96/34/1148469634.db2.gz NZNSGGQVKYOPQJ-NXHRZFHOSA-N 1 3 315.461 2.013 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCCF)N(C)C ZINC001328694066 1148825275 /nfs/dbraw/zinc/82/52/75/1148825275.db2.gz PSLWHVHOGHFRIT-IXDOHACOSA-N 1 3 321.440 2.058 20 0 DEADHO Cc1cccc(CN2CC[C@H](NC(=O)[C@H](C)CC[NH+](C)C)C2)c1 ZINC001454311755 1057478432 /nfs/dbraw/zinc/47/84/32/1057478432.db2.gz KGHGTVOGFYTVPV-AEFFLSMTSA-N 1 3 317.477 2.273 20 0 DEADHO CC1CCN(CC[C@H]2CCC[N@@H+]2C[C@@H]2CCNC(=O)CC2)CC1 ZINC001460627674 1058483121 /nfs/dbraw/zinc/48/31/21/1058483121.db2.gz QFPXIJCNLYKHFC-ZWKOTPCHSA-N 1 3 321.509 2.489 20 0 DEADHO CC1CCN(CC[C@H]2CCC[N@H+]2C[C@@H]2CCNC(=O)CC2)CC1 ZINC001460627674 1058483138 /nfs/dbraw/zinc/48/31/38/1058483138.db2.gz QFPXIJCNLYKHFC-ZWKOTPCHSA-N 1 3 321.509 2.489 20 0 DEADHO CCc1ncc(CNC2CC[NH+](C3CCN(C)CC3)CC2)s1 ZINC001461123946 1058587193 /nfs/dbraw/zinc/58/71/93/1058587193.db2.gz LSYWWQCTHRXOSF-UHFFFAOYSA-N 1 3 322.522 2.354 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC001500281310 1058665142 /nfs/dbraw/zinc/66/51/42/1058665142.db2.gz UHNYNTPLGLHZHI-LJQANCHMSA-N 1 3 317.477 2.499 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC001500281310 1058665150 /nfs/dbraw/zinc/66/51/50/1058665150.db2.gz UHNYNTPLGLHZHI-LJQANCHMSA-N 1 3 317.477 2.499 20 0 DEADHO C[N@@H+]1CCC[C@@H](CCNCc2cnc(C3OCCO3)s2)C1 ZINC001461566453 1058680505 /nfs/dbraw/zinc/68/05/05/1058680505.db2.gz RITDIHOGPWNPST-LBPRGKRZSA-N 1 3 311.451 2.010 20 0 DEADHO C[N@H+]1CCC[C@@H](CCNCc2cnc(C3OCCO3)s2)C1 ZINC001461566453 1058680519 /nfs/dbraw/zinc/68/05/19/1058680519.db2.gz RITDIHOGPWNPST-LBPRGKRZSA-N 1 3 311.451 2.010 20 0 DEADHO CO[C@@H]([C@H](C)[NH2+]C1CCC(C)(N2CCOCC2)CC1)C1CC1 ZINC001462247051 1058788327 /nfs/dbraw/zinc/78/83/27/1058788327.db2.gz GOPDJBOQVWNXJX-VNCIIQTRSA-N 1 3 310.482 2.423 20 0 DEADHO CCC/C=C/CC[N@H+]1C[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001501242514 1059400505 /nfs/dbraw/zinc/40/05/05/1059400505.db2.gz HQLBZTOULYBNRN-BNPWSIICSA-N 1 3 321.509 2.463 20 0 DEADHO CCC/C=C/CC[N@@H+]1C[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001501242514 1059400510 /nfs/dbraw/zinc/40/05/10/1059400510.db2.gz HQLBZTOULYBNRN-BNPWSIICSA-N 1 3 321.509 2.463 20 0 DEADHO CCC(CC)C[NH+]1CC([C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001369174754 1148861060 /nfs/dbraw/zinc/86/10/60/1148861060.db2.gz ZRQJQPXIVBKXAY-PBHICJAKSA-N 1 3 311.514 2.445 20 0 DEADHO CCOCOc1ccc(CNC[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001474735242 1060926496 /nfs/dbraw/zinc/92/64/96/1060926496.db2.gz LUWRNIUSEKZUHK-KRWDZBQOSA-N 1 3 304.434 2.491 20 0 DEADHO CC(C)=CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC001505774990 1060952896 /nfs/dbraw/zinc/95/28/96/1060952896.db2.gz IGTWLJJJCTVOOA-OFLPRAFFSA-N 1 3 307.482 2.406 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001369183484 1148863307 /nfs/dbraw/zinc/86/33/07/1148863307.db2.gz YLHXQJIXVSDPLL-JCNLHEQBSA-N 1 3 321.440 2.152 20 0 DEADHO CCCC[NH2+][C@H]1CCCCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001479691938 1061606394 /nfs/dbraw/zinc/60/63/94/1061606394.db2.gz GZATVSBYUJETIS-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001480171794 1062424340 /nfs/dbraw/zinc/42/43/40/1062424340.db2.gz GBBREFSGOFTNAH-WNGYAQOMSA-N 1 3 321.387 2.048 20 0 DEADHO CN(C(=O)C(C)(C)N1CCCC1)[C@H](C[NH2+]CCCF)C1CC1 ZINC001507018748 1062681262 /nfs/dbraw/zinc/68/12/62/1062681262.db2.gz LYDBCIFYEXLSKU-OAHLLOKOSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]C/C=C/Cl)C1 ZINC001480360703 1062711623 /nfs/dbraw/zinc/71/16/23/1062711623.db2.gz ADTRUGRHCSDVQG-HYBGQWMJSA-N 1 3 313.873 2.051 20 0 DEADHO CCCC[NH2+]C[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001480364571 1062718702 /nfs/dbraw/zinc/71/87/02/1062718702.db2.gz XTODWOBHPYVIEX-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001480472225 1062905878 /nfs/dbraw/zinc/90/58/78/1062905878.db2.gz NSBSSQXVFZKKKM-HOCLYGCPSA-N 1 3 309.498 2.391 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CC[C@H](C[NH2+]C/C=C\Cl)C2)CCC1 ZINC001507397944 1063225699 /nfs/dbraw/zinc/22/56/99/1063225699.db2.gz ICIZWSLREYNDMW-WOHRWDJGSA-N 1 3 313.873 2.098 20 0 DEADHO CN(CC(=O)NC[C@@H]1CC[N@H+](CC2=CCCCC2)C1)C1CCC1 ZINC001567403155 1064182651 /nfs/dbraw/zinc/18/26/51/1064182651.db2.gz LKHJIDISTPMWAB-KRWDZBQOSA-N 1 3 319.493 2.409 20 0 DEADHO CN(CC(=O)NC[C@@H]1CC[N@@H+](CC2=CCCCC2)C1)C1CCC1 ZINC001567403155 1064182659 /nfs/dbraw/zinc/18/26/59/1064182659.db2.gz LKHJIDISTPMWAB-KRWDZBQOSA-N 1 3 319.493 2.409 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CC1=CCCCC1 ZINC001567611334 1064279210 /nfs/dbraw/zinc/27/92/10/1064279210.db2.gz CMEOUDQXVWGYLX-QGZVFWFLSA-N 1 3 307.482 2.409 20 0 DEADHO Cc1cc(C)cc(CN2CC(CNC(=O)CCC[NH+](C)C)C2)c1 ZINC001494583506 1064334741 /nfs/dbraw/zinc/33/47/41/1064334741.db2.gz BIMILGFAMWMBPZ-UHFFFAOYSA-N 1 3 317.477 2.193 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)C[NH2+]C/C=C\Cl ZINC001568171964 1064681732 /nfs/dbraw/zinc/68/17/32/1064681732.db2.gz LFQJHIIFWGDNHG-DANTVBBOSA-N 1 3 315.889 2.345 20 0 DEADHO CC(C)=CC[NH2+]CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001495423570 1064897338 /nfs/dbraw/zinc/89/73/38/1064897338.db2.gz PFWLTCKIBRPTIR-QGZVFWFLSA-N 1 3 307.482 2.265 20 0 DEADHO CN(C)C1(C(=O)NC/C=C\C[NH2+]CCc2cccs2)CCC1 ZINC001568862798 1065163616 /nfs/dbraw/zinc/16/36/16/1065163616.db2.gz OOENFLBECOPCBN-ARJAWSKDSA-N 1 3 321.490 2.037 20 0 DEADHO CN(CC(=O)NC/C=C/C[NH2+]Cc1ccccc1)CC(C)(C)C ZINC001568920181 1065191232 /nfs/dbraw/zinc/19/12/32/1065191232.db2.gz QEVBZCQTLMMXAG-CMDGGOBGSA-N 1 3 317.477 2.427 20 0 DEADHO C[C@@H](CNCCF)N(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001496059657 1065256460 /nfs/dbraw/zinc/25/64/60/1065256460.db2.gz ATTPWXMPNHINNC-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H](CNCCF)N(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001496059657 1065256473 /nfs/dbraw/zinc/25/64/73/1065256473.db2.gz ATTPWXMPNHINNC-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC1CC(C)(C)C1)N(C)C ZINC001496149700 1065307204 /nfs/dbraw/zinc/30/72/04/1065307204.db2.gz GWDBJWLGGGMHKK-GDBMZVCRSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CCC1 ZINC001496178214 1065325466 /nfs/dbraw/zinc/32/54/66/1065325466.db2.gz JHXHIDSIMSXYOA-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H]([NH2+]CCCN(C)C(=O)CN1CCCC1)c1ccccc1 ZINC001569266589 1065403573 /nfs/dbraw/zinc/40/35/73/1065403573.db2.gz CLLMDDTWEABKLI-INIZCTEOSA-N 1 3 303.450 2.282 20 0 DEADHO CC(C)CC[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001496347369 1065419597 /nfs/dbraw/zinc/41/95/97/1065419597.db2.gz YMWPITOJRPXBGZ-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001570177944 1065955230 /nfs/dbraw/zinc/95/52/30/1065955230.db2.gz VUQLJLHYIVISCA-MRXNPFEDSA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001570177944 1065955238 /nfs/dbraw/zinc/95/52/38/1065955238.db2.gz VUQLJLHYIVISCA-MRXNPFEDSA-N 1 3 307.482 2.408 20 0 DEADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCCC(C)(C)C ZINC001570355034 1066029997 /nfs/dbraw/zinc/02/99/97/1066029997.db2.gz VUWUSXUKQHAEKK-ZFWWWQNUSA-N 1 3 306.454 2.215 20 0 DEADHO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)C1 ZINC001575232673 1066230009 /nfs/dbraw/zinc/23/00/09/1066230009.db2.gz TYHCUZODGVEQCX-AFIMGQEJSA-N 1 3 323.481 2.351 20 0 DEADHO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)C1 ZINC001575232673 1066230025 /nfs/dbraw/zinc/23/00/25/1066230025.db2.gz TYHCUZODGVEQCX-AFIMGQEJSA-N 1 3 323.481 2.351 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC001630196482 1078334970 /nfs/dbraw/zinc/33/49/70/1078334970.db2.gz HNNGSPXSQBEIBY-NUJGCVRESA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC001575698936 1066404209 /nfs/dbraw/zinc/40/42/09/1066404209.db2.gz ACJVFZKIYOOWPG-AEFFLSMTSA-N 1 3 315.461 2.110 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC001575698936 1066404212 /nfs/dbraw/zinc/40/42/12/1066404212.db2.gz ACJVFZKIYOOWPG-AEFFLSMTSA-N 1 3 315.461 2.110 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C)c(C)c1)N(C)C ZINC001498114516 1066511559 /nfs/dbraw/zinc/51/15/59/1066511559.db2.gz HVEUTLQJXDNEJM-RDJZCZTQSA-N 1 3 305.466 2.238 20 0 DEADHO CCc1ccc(C[NH2+]C[C@H](C)NC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001498119105 1066514299 /nfs/dbraw/zinc/51/42/99/1066514299.db2.gz ZZXLKOBGQQQYOJ-CVEARBPZSA-N 1 3 317.477 2.185 20 0 DEADHO CC1(C)[C@H](N)C[C@H]1[NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001576381732 1066581839 /nfs/dbraw/zinc/58/18/39/1066581839.db2.gz FMOFMZAWSWFZAJ-ARFHVFGLSA-N 1 3 317.433 2.113 20 0 DEADHO C[C@@H]1CCN(C[C@@H]2CC[NH2+]C2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001576729271 1066673024 /nfs/dbraw/zinc/67/30/24/1066673024.db2.gz IWYZLNXBDLXNEU-KFWWJZLASA-N 1 3 311.470 2.079 20 0 DEADHO CC1CCN(CC(=O)N(C)CCC[NH2+]Cc2ccccc2)CC1 ZINC001498630521 1066812083 /nfs/dbraw/zinc/81/20/83/1066812083.db2.gz RPHUJMNRSDZVBK-UHFFFAOYSA-N 1 3 317.477 2.357 20 0 DEADHO CCCN(C(=O)NCc1ccc([C@@H](C)[NH3+])cc1)[C@H]1CCN(C)C1 ZINC001577492091 1066858216 /nfs/dbraw/zinc/85/82/16/1066858216.db2.gz HMHXDHRVYCIJGZ-PBHICJAKSA-N 1 3 318.465 2.332 20 0 DEADHO CCN(C(=O)[C@@H]1CC[NH2+][C@@H]1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001577628559 1066890056 /nfs/dbraw/zinc/89/00/56/1066890056.db2.gz UDTOAHIVWXZVIV-KBAYOESNSA-N 1 3 315.461 2.107 20 0 DEADHO CCOCCC1(C[NH2+]Cc2nc3c(s2)CNCC3)CCC1 ZINC001578105854 1066986943 /nfs/dbraw/zinc/98/69/43/1066986943.db2.gz LEWLXBGDMKKOSZ-UHFFFAOYSA-N 1 3 309.479 2.475 20 0 DEADHO CCO[C@]12CCC[C@@]1(NCc1ccc3c(c1)C[NH2+]CC3)CCO2 ZINC001578161041 1067001813 /nfs/dbraw/zinc/00/18/13/1067001813.db2.gz JCLODFFHEFAAAM-MOPGFXCFSA-N 1 3 316.445 2.498 20 0 DEADHO CN(C)C[C@@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC001578412442 1067090327 /nfs/dbraw/zinc/09/03/27/1067090327.db2.gz MJPATOIBPRIONB-FVQBIDKESA-N 1 3 307.413 2.062 20 0 DEADHO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cccc2c1CNC2 ZINC001578529479 1067126492 /nfs/dbraw/zinc/12/64/92/1067126492.db2.gz VRQKPAATGDTSSF-INIZCTEOSA-N 1 3 301.434 2.140 20 0 DEADHO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cccc2c1CNC2 ZINC001578529479 1067126497 /nfs/dbraw/zinc/12/64/97/1067126497.db2.gz VRQKPAATGDTSSF-INIZCTEOSA-N 1 3 301.434 2.140 20 0 DEADHO COc1ccc([C@@H](CO)N(C)Cc2ccc(C[NH3+])cc2)cc1 ZINC001579199210 1067254785 /nfs/dbraw/zinc/25/47/85/1067254785.db2.gz HDQNUFIVOPVAQP-GOSISDBHSA-N 1 3 300.402 2.319 20 0 DEADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@@H](C(C)(C)O)C2)cc1 ZINC001579195321 1067255171 /nfs/dbraw/zinc/25/51/71/1067255171.db2.gz VORJOBYOMXDNRY-JKSUJKDBSA-N 1 3 306.450 2.220 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CC2CC2)CCC1 ZINC001483438435 1078533907 /nfs/dbraw/zinc/53/39/07/1078533907.db2.gz SXBBKYHPCUNFBM-HZPDHXFCSA-N 1 3 307.482 2.145 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]CCCN(C)C(=O)CN1CCCC1 ZINC001483508841 1078575502 /nfs/dbraw/zinc/57/55/02/1078575502.db2.gz CBEQGBRYCAXYSM-UHFFFAOYSA-N 1 3 321.440 2.168 20 0 DEADHO CC(C)=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001571367199 1068251645 /nfs/dbraw/zinc/25/16/45/1068251645.db2.gz DIBBHUHASMCBDR-RDJZCZTQSA-N 1 3 307.482 2.121 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1=CC[N@H+](CC[C@H](C)F)CC1)N(C)C ZINC001571698338 1068488546 /nfs/dbraw/zinc/48/85/46/1068488546.db2.gz DEEPCQSVFVYZJK-HOCLYGCPSA-N 1 3 313.461 2.069 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1=CC[N@@H+](CC[C@H](C)F)CC1)N(C)C ZINC001571698338 1068488552 /nfs/dbraw/zinc/48/85/52/1068488552.db2.gz DEEPCQSVFVYZJK-HOCLYGCPSA-N 1 3 313.461 2.069 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCC(C)(C)C)C1 ZINC001272384857 1078843894 /nfs/dbraw/zinc/84/38/94/1078843894.db2.gz SPCKHEGVILNODG-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO CCC[C@@H](C)C[NH+]1CCC2(CCN(CCN(C)C)C2=O)CC1 ZINC001272433769 1078873769 /nfs/dbraw/zinc/87/37/69/1078873769.db2.gz YFBMXVWVORJXCU-MRXNPFEDSA-N 1 3 309.498 2.299 20 0 DEADHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)C1 ZINC001645611788 1078936556 /nfs/dbraw/zinc/93/65/56/1078936556.db2.gz QKULANKCTPINPL-CABCVRRESA-N 1 3 314.437 2.045 20 0 DEADHO CC[N@@H+]1CCC[C@@H](CN[C@H](C)c2ccc(-n3cnnn3)cc2)C1 ZINC001645611788 1078936563 /nfs/dbraw/zinc/93/65/63/1078936563.db2.gz QKULANKCTPINPL-CABCVRRESA-N 1 3 314.437 2.045 20 0 DEADHO CC[N@H+]1CCC[C@@H](CN[C@H](C)c2ccc(-n3cnnn3)cc2)C1 ZINC001645611788 1078936570 /nfs/dbraw/zinc/93/65/70/1078936570.db2.gz QKULANKCTPINPL-CABCVRRESA-N 1 3 314.437 2.045 20 0 DEADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N(C)CCN3CCCCC3)C[N@@H+]2C1 ZINC001548726724 1072845226 /nfs/dbraw/zinc/84/52/26/1072845226.db2.gz ZXFFMNLQGLZUOF-ZACQAIPSSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N(C)CCN3CCCCC3)C[N@H+]2C1 ZINC001548726724 1072845242 /nfs/dbraw/zinc/84/52/42/1072845242.db2.gz ZXFFMNLQGLZUOF-ZACQAIPSSA-N 1 3 307.482 2.051 20 0 DEADHO N[C@H](CC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccccc1 ZINC001549208457 1073079348 /nfs/dbraw/zinc/07/93/48/1073079348.db2.gz KNCSMCMFATWXTN-QRVBRYPASA-N 1 3 323.440 2.338 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](CC)[C@H]1CCc2ccccc21)N(C)C ZINC001480982995 1079027455 /nfs/dbraw/zinc/02/74/55/1079027455.db2.gz NABNENRYRVITST-MSOLQXFVSA-N 1 3 317.477 2.452 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](CC)[C@H]1CCc2ccccc21)N(C)C ZINC001480982995 1079027467 /nfs/dbraw/zinc/02/74/67/1079027467.db2.gz NABNENRYRVITST-MSOLQXFVSA-N 1 3 317.477 2.452 20 0 DEADHO CC[C@H](N[C@@H]1C[C@H](N2CCOCC2)C12CCC2)[C@@H]1CCCC[NH2+]1 ZINC001549338202 1073130695 /nfs/dbraw/zinc/13/06/95/1073130695.db2.gz UACWECBAGDBRKI-FJIDUMEYSA-N 1 3 321.509 2.140 20 0 DEADHO CC[C@H]([NH2+][C@@H]1C[C@H](N2CCOCC2)C12CCC2)[C@@H]1CCCCN1 ZINC001549338202 1073130701 /nfs/dbraw/zinc/13/07/01/1073130701.db2.gz UACWECBAGDBRKI-FJIDUMEYSA-N 1 3 321.509 2.140 20 0 DEADHO O=C(N[C@H]1CCCC[C@@H]1NC1CC[NH2+]CC1)c1ccccc1 ZINC001549338324 1073131312 /nfs/dbraw/zinc/13/13/12/1073131312.db2.gz YITSMEAKQJQTAS-IRXDYDNUSA-N 1 3 301.434 2.069 20 0 DEADHO O=C(N[C@H]1CCCC[C@@H]1[NH2+]C1CCNCC1)c1ccccc1 ZINC001549338324 1073131316 /nfs/dbraw/zinc/13/13/16/1073131316.db2.gz YITSMEAKQJQTAS-IRXDYDNUSA-N 1 3 301.434 2.069 20 0 DEADHO Cn1cnc([C@@H]2C[N@@H+]([C@H]3CCCc4ccc(F)cc43)C[C@@H]2N)c1 ZINC001549724154 1073247368 /nfs/dbraw/zinc/24/73/68/1073247368.db2.gz FFUPQWYPKBHJSN-RYRKJORJSA-N 1 3 314.408 2.363 20 0 DEADHO Cn1cnc([C@@H]2C[N@H+]([C@H]3CCCc4ccc(F)cc43)C[C@@H]2N)c1 ZINC001549724154 1073247370 /nfs/dbraw/zinc/24/73/70/1073247370.db2.gz FFUPQWYPKBHJSN-RYRKJORJSA-N 1 3 314.408 2.363 20 0 DEADHO CC[N@H+](CCNC(=O)CN(C)C(C)C)C[C@H]1CCC(F)(F)C1 ZINC001481019507 1079069717 /nfs/dbraw/zinc/06/97/17/1079069717.db2.gz VPBJXKPWHZCCKH-AWEZNQCLSA-N 1 3 319.440 2.200 20 0 DEADHO CC[N@@H+](CCNC(=O)CN(C)C(C)C)C[C@H]1CCC(F)(F)C1 ZINC001481019507 1079069722 /nfs/dbraw/zinc/06/97/22/1079069722.db2.gz VPBJXKPWHZCCKH-AWEZNQCLSA-N 1 3 319.440 2.200 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCC2(NC/C=C\Cl)CC2)C1 ZINC001483761045 1079081161 /nfs/dbraw/zinc/08/11/61/1079081161.db2.gz IYCUBGDAXAHUGK-SMGNDMQFSA-N 1 3 313.873 2.099 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)NCC2(NC/C=C\Cl)CC2)C1 ZINC001483761045 1079081166 /nfs/dbraw/zinc/08/11/66/1079081166.db2.gz IYCUBGDAXAHUGK-SMGNDMQFSA-N 1 3 313.873 2.099 20 0 DEADHO N[C@@H](CC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC001550233288 1073523661 /nfs/dbraw/zinc/52/36/61/1073523661.db2.gz CPWRLALOEQXIOS-FUHWJXTLSA-N 1 3 301.434 2.069 20 0 DEADHO CCc1ncc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@@H]2O)s1 ZINC001550422176 1073646412 /nfs/dbraw/zinc/64/64/12/1073646412.db2.gz OPDVPSHAGNODJM-WTTBNOFXSA-N 1 3 323.506 2.275 20 0 DEADHO CCc1ncc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@@H]2O)s1 ZINC001550422176 1073646418 /nfs/dbraw/zinc/64/64/18/1073646418.db2.gz OPDVPSHAGNODJM-WTTBNOFXSA-N 1 3 323.506 2.275 20 0 DEADHO C[C@H](N[C@H]1CCCC[C@H]1NC(=O)c1ccccc1)C1([NH3+])CC1 ZINC001550696445 1073809449 /nfs/dbraw/zinc/80/94/49/1073809449.db2.gz TZYLXRIDQAEEMI-CWRNSKLLSA-N 1 3 301.434 2.197 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC001550833795 1073903358 /nfs/dbraw/zinc/90/33/58/1073903358.db2.gz FKUNSHONJLNUCO-GVDBMIGSSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC001550833795 1073903362 /nfs/dbraw/zinc/90/33/62/1073903362.db2.gz FKUNSHONJLNUCO-GVDBMIGSSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001550833795 1073903369 /nfs/dbraw/zinc/90/33/69/1073903369.db2.gz FKUNSHONJLNUCO-GVDBMIGSSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001550833795 1073903371 /nfs/dbraw/zinc/90/33/71/1073903371.db2.gz FKUNSHONJLNUCO-GVDBMIGSSA-N 1 3 307.482 2.240 20 0 DEADHO CCC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001481120423 1079215516 /nfs/dbraw/zinc/21/55/16/1079215516.db2.gz DFCUNEZEIUYGIV-OGZRUICASA-N 1 3 318.465 2.445 20 0 DEADHO CCC/C=C\CC[N@H+]1CC[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001481120423 1079215531 /nfs/dbraw/zinc/21/55/31/1079215531.db2.gz DFCUNEZEIUYGIV-OGZRUICASA-N 1 3 318.465 2.445 20 0 DEADHO CC[C@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)[C@@H]1CCOC1 ZINC001551387497 1074200135 /nfs/dbraw/zinc/20/01/35/1074200135.db2.gz BNQCHTRCMMWSNZ-ZLZJIPBDSA-N 1 3 310.482 2.425 20 0 DEADHO CC[C@@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)c1cnn(C)c1 ZINC001551390863 1074201215 /nfs/dbraw/zinc/20/12/15/1074201215.db2.gz OYQXMHRVRIYCED-LXPRWKDFSA-N 1 3 320.481 2.494 20 0 DEADHO C[C@]1(CN2C[C@@H]3COC[C@@]3(c3ccccc3)C2)CCC[NH2+]C1 ZINC001551401559 1074205970 /nfs/dbraw/zinc/20/59/70/1074205970.db2.gz VJRSSWPJMWDRPF-CEXWTWQISA-N 1 3 300.446 2.276 20 0 DEADHO c1cc2c(cc1-c1nc([C@@H]3CN4CCC3CC4)no1)C[NH2+]CC2 ZINC001649844722 1079259081 /nfs/dbraw/zinc/25/90/81/1079259081.db2.gz SCJUAUPRZIIZJJ-MRXNPFEDSA-N 1 3 310.401 2.192 20 0 DEADHO CN(C(=O)[C@@H]1CCN1C1CCCC1)C1CC[NH+](C2CC2)CC1 ZINC001551889746 1074412582 /nfs/dbraw/zinc/41/25/82/1074412582.db2.gz PYCHNRZHLXQEKT-KRWDZBQOSA-N 1 3 305.466 2.089 20 0 DEADHO CN(C)CCC[N@H+](C)CCNc1nc(C2CC2)nc2c1CCC2 ZINC001649889082 1079288227 /nfs/dbraw/zinc/28/82/27/1079288227.db2.gz WANJSLGBXVPDOL-UHFFFAOYSA-N 1 3 317.481 2.138 20 0 DEADHO CN(C)CCC[N@@H+](C)CCNc1nc(C2CC2)nc2c1CCC2 ZINC001649889082 1079288233 /nfs/dbraw/zinc/28/82/33/1079288233.db2.gz WANJSLGBXVPDOL-UHFFFAOYSA-N 1 3 317.481 2.138 20 0 DEADHO O=C(c1cccc2c1CNC2)N1CCC[C@@H]([C@@H]2CCCC[NH2+]2)C1 ZINC001552432821 1074576139 /nfs/dbraw/zinc/57/61/39/1074576139.db2.gz WWIYKBLXDCVATD-QAPCUYQASA-N 1 3 313.445 2.284 20 0 DEADHO [NH3+]Cc1ccccc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC001646772885 1074611969 /nfs/dbraw/zinc/61/19/69/1074611969.db2.gz RMMMFKYUQFSSOJ-QGZVFWFLSA-N 1 3 311.385 2.059 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)C[C@H]([NH3+])C(C)(C)C)C2)cc1 ZINC001646777361 1074614137 /nfs/dbraw/zinc/61/41/37/1074614137.db2.gz KUXYRQFPNBIUMX-SJORKVTESA-N 1 3 317.477 2.449 20 0 DEADHO CC1(C)[C@@H]2NCCC[C@H]2[C@@H]1[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC001553026681 1074741885 /nfs/dbraw/zinc/74/18/85/1074741885.db2.gz XAKUTBOQPRYKMG-MCIONIFRSA-N 1 3 319.415 2.379 20 0 DEADHO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC001647159356 1074821872 /nfs/dbraw/zinc/82/18/72/1074821872.db2.gz RXKJBKOUWAKHQU-GVDBMIGSSA-N 1 3 322.497 2.175 20 0 DEADHO C[NH2+][C@H](C)CCNC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC001647226456 1074847605 /nfs/dbraw/zinc/84/76/05/1074847605.db2.gz HYNKXJNRUJFDAQ-MRXNPFEDSA-N 1 3 320.481 2.066 20 0 DEADHO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001647548646 1074944893 /nfs/dbraw/zinc/94/48/93/1074944893.db2.gz VQIQHUXBBHLTPC-RBUKOAKNSA-N 1 3 317.477 2.091 20 0 DEADHO CC(C)=CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001566903703 1075379537 /nfs/dbraw/zinc/37/95/37/1075379537.db2.gz SJZQCVKIFZUMIB-IAGOWNOFSA-N 1 3 309.498 2.367 20 0 DEADHO [NH3+]Cc1cccc(CNCc2ccc(Cn3cncn3)cc2)c1 ZINC001580342692 1075907035 /nfs/dbraw/zinc/90/70/35/1075907035.db2.gz COLBKCIUICYOMH-UHFFFAOYSA-N 1 3 307.401 2.075 20 0 DEADHO N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC001580371960 1075913414 /nfs/dbraw/zinc/91/34/14/1075913414.db2.gz GCHKXGOFMQVSLL-MGPQQGTHSA-N 1 3 313.239 2.342 20 0 DEADHO c1nnn(-c2ccccc2)c1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC001580892156 1076016914 /nfs/dbraw/zinc/01/69/14/1076016914.db2.gz PAMPOBGFOFTNLR-HOTGVXAUSA-N 1 3 311.433 2.089 20 0 DEADHO C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589955257 1076534511 /nfs/dbraw/zinc/53/45/11/1076534511.db2.gz LBZPYUNPZILPCK-UWTIGNOOSA-N 1 3 314.437 2.390 20 0 DEADHO C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589955257 1076534514 /nfs/dbraw/zinc/53/45/14/1076534514.db2.gz LBZPYUNPZILPCK-UWTIGNOOSA-N 1 3 314.437 2.390 20 0 DEADHO O=C(Nc1ccc2c(c1)OCCNC2)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001650376149 1079572668 /nfs/dbraw/zinc/57/26/68/1079572668.db2.gz WUVWCDJEFHBHCR-HOTGVXAUSA-N 1 3 315.417 2.124 20 0 DEADHO O=C(Nc1ccc2c(c1)OCCNC2)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001650376149 1079572679 /nfs/dbraw/zinc/57/26/79/1079572679.db2.gz WUVWCDJEFHBHCR-HOTGVXAUSA-N 1 3 315.417 2.124 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001484382025 1079579038 /nfs/dbraw/zinc/57/90/38/1079579038.db2.gz CMSACVYOVXRCCU-JKSUJKDBSA-N 1 3 311.514 2.449 20 0 DEADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC[C@@H]1C[NH3+] ZINC001650399877 1079590048 /nfs/dbraw/zinc/59/00/48/1079590048.db2.gz BCEQMLAFXLUXJV-NXHRZFHOSA-N 1 3 315.461 2.094 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+]CCc2cccs2)CCC1 ZINC001484663362 1079716895 /nfs/dbraw/zinc/71/68/95/1079716895.db2.gz QWVFQJZFSILSJC-UHFFFAOYSA-N 1 3 323.506 2.259 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCCN(C[C@H](F)CC)CC1 ZINC001484725738 1079750286 /nfs/dbraw/zinc/75/02/86/1079750286.db2.gz FFSOYRGWTKBSAR-HZPDHXFCSA-N 1 3 315.477 2.437 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(C[C@H](F)CC)CC1 ZINC001484725738 1079750291 /nfs/dbraw/zinc/75/02/91/1079750291.db2.gz FFSOYRGWTKBSAR-HZPDHXFCSA-N 1 3 315.477 2.437 20 0 DEADHO Cc1cc(C[NH2+][C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C)cs1 ZINC001484909260 1079855331 /nfs/dbraw/zinc/85/53/31/1079855331.db2.gz KCGDJLNLHVTHHF-XJKSGUPXSA-N 1 3 323.506 2.333 20 0 DEADHO C[C@@H](C[NH2+]CCC1CCCC1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001268085441 1080040597 /nfs/dbraw/zinc/04/05/97/1080040597.db2.gz IQLPCWYKFJXWHD-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO O[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccnn1-c1ccncc1 ZINC001656541772 1080100225 /nfs/dbraw/zinc/10/02/25/1080100225.db2.gz ULELHULEIAPTGG-ROUUACIJSA-N 1 3 306.369 2.015 20 0 DEADHO O[C@H]1Cc2ccccc2[C@@H]1NCc1ccnn1-c1cc[nH+]cc1 ZINC001656541772 1080100230 /nfs/dbraw/zinc/10/02/30/1080100230.db2.gz ULELHULEIAPTGG-ROUUACIJSA-N 1 3 306.369 2.015 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C1C[NH+](Cc2cccc(C)c2)C1 ZINC001485532431 1080287708 /nfs/dbraw/zinc/28/77/08/1080287708.db2.gz FWVYEHUDYPPYRE-INIZCTEOSA-N 1 3 317.477 2.273 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](C)CC[C@@H](C)F ZINC001660408422 1080327629 /nfs/dbraw/zinc/32/76/29/1080327629.db2.gz GVIJLTCENFSCTR-HUUCEWRRSA-N 1 3 301.450 2.047 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)CC[C@@H](C)F ZINC001660408422 1080327634 /nfs/dbraw/zinc/32/76/34/1080327634.db2.gz GVIJLTCENFSCTR-HUUCEWRRSA-N 1 3 301.450 2.047 20 0 DEADHO CCN(CCF)CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001660528608 1080351747 /nfs/dbraw/zinc/35/17/47/1080351747.db2.gz BMXILXINMXNYSF-UHFFFAOYSA-N 1 3 301.450 2.049 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CCC3CCCC3)C2)C1 ZINC001485695068 1080379186 /nfs/dbraw/zinc/37/91/86/1080379186.db2.gz ABRLQWCRHWYQHB-SZMVWBNQSA-N 1 3 321.509 2.393 20 0 DEADHO Cc1ccccc1C[NH2+]CC[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001268400063 1080426233 /nfs/dbraw/zinc/42/62/33/1080426233.db2.gz QADUZVPWNSMVSO-WBVHZDCISA-N 1 3 317.477 2.321 20 0 DEADHO CN(C(=O)C(C)(C)N1CCCC1)[C@H](C[NH2+]CC1CC1)C1CC1 ZINC001485819769 1080568065 /nfs/dbraw/zinc/56/80/65/1080568065.db2.gz JNRUKECBIPRYAL-MRXNPFEDSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@@H](C(=O)NC1(C[NH2+]CCC(F)(F)F)CCCC1)N(C)C ZINC001481910031 1080598779 /nfs/dbraw/zinc/59/87/79/1080598779.db2.gz GPTIIMYMUIKDEI-LBPRGKRZSA-N 1 3 323.403 2.298 20 0 DEADHO CC[C@@H](C(=O)NC/C=C\C[NH2+]C[C@H]1CCC(F)(F)C1)N(C)C ZINC001268592894 1080838704 /nfs/dbraw/zinc/83/87/04/1080838704.db2.gz LVENIBSPLDSGKQ-LAWSMPECSA-N 1 3 317.424 2.024 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCC1CC1 ZINC001268596627 1080854553 /nfs/dbraw/zinc/85/45/53/1080854553.db2.gz OAUDCZJYSXCOCH-VGOKWCNXSA-N 1 3 307.482 2.311 20 0 DEADHO Cc1cccc(C[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001268616896 1080894877 /nfs/dbraw/zinc/89/48/77/1080894877.db2.gz PXATVKCCQSURAS-HPFMTEOYSA-N 1 3 317.477 2.343 20 0 DEADHO Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)N(C)C)cc1F ZINC001664321390 1080896356 /nfs/dbraw/zinc/89/63/56/1080896356.db2.gz PNEKLHFLSHEWLM-QGZVFWFLSA-N 1 3 323.456 2.268 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]C/C=C\c1ccccc1)N(C)C ZINC001268711711 1080945857 /nfs/dbraw/zinc/94/58/57/1080945857.db2.gz RPRXPIVOQWJGTF-GBDOQOGUSA-N 1 3 303.450 2.134 20 0 DEADHO C[C@H]([NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C)c1ccc(F)cc1 ZINC001268784125 1080990416 /nfs/dbraw/zinc/99/04/16/1080990416.db2.gz RMMPEFVNNKXSDV-YOEHRIQHSA-N 1 3 321.440 2.419 20 0 DEADHO CCCCC[NH2+]CC[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001666152617 1081128585 /nfs/dbraw/zinc/12/85/85/1081128585.db2.gz RPQBFTFDNPEPNQ-OAHLLOKOSA-N 1 3 306.454 2.361 20 0 DEADHO CCC/C=C\CCN1CC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001269330460 1081216404 /nfs/dbraw/zinc/21/64/04/1081216404.db2.gz DHNAIJNIEMNAJC-JOGGYFKDSA-N 1 3 307.482 2.265 20 0 DEADHO CCC/C=C\CCN1CC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001269330460 1081216408 /nfs/dbraw/zinc/21/64/08/1081216408.db2.gz DHNAIJNIEMNAJC-JOGGYFKDSA-N 1 3 307.482 2.265 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CCC2CC2)CCCC1 ZINC001482236303 1081327459 /nfs/dbraw/zinc/32/74/59/1081327459.db2.gz HHJPQJGMGCFJFC-UHFFFAOYSA-N 1 3 304.438 2.079 20 0 DEADHO CCc1ccccc1C[NH2+]C/C=C\CNC(=O)[C@H]1CCCN1C ZINC001668746511 1081390793 /nfs/dbraw/zinc/39/07/93/1081390793.db2.gz ZCLSNQDYSZAYPV-HPFMTEOYSA-N 1 3 315.461 2.105 20 0 DEADHO CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/CNCc1ccsc1 ZINC001669208747 1081438831 /nfs/dbraw/zinc/43/88/31/1081438831.db2.gz VQGPXRIKTLDKOG-APHBUQMISA-N 1 3 321.490 2.385 20 0 DEADHO CC[N@H+]1CCCC[C@H]1C(=O)NC/C=C/CNCc1ccsc1 ZINC001669208747 1081438832 /nfs/dbraw/zinc/43/88/32/1081438832.db2.gz VQGPXRIKTLDKOG-APHBUQMISA-N 1 3 321.490 2.385 20 0 DEADHO CC(C)=CC[NH2+]C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001270159155 1081463166 /nfs/dbraw/zinc/46/31/66/1081463166.db2.gz NCNCQOXRHMQJPZ-KRWDZBQOSA-N 1 3 307.482 2.265 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001270180004 1081466920 /nfs/dbraw/zinc/46/69/20/1081466920.db2.gz SBTLJQCOGHWIRG-SFHVURJKSA-N 1 3 316.449 2.209 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001270180004 1081466924 /nfs/dbraw/zinc/46/69/24/1081466924.db2.gz SBTLJQCOGHWIRG-SFHVURJKSA-N 1 3 316.449 2.209 20 0 DEADHO CC/C=C/CC[NH2+]C[C@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001270263514 1081489126 /nfs/dbraw/zinc/48/91/26/1081489126.db2.gz NTHSRZVSTJUXAC-ADDHZHGLSA-N 1 3 307.482 2.265 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC2(C1)CC[NH+](CC)CC2 ZINC001673017068 1081731671 /nfs/dbraw/zinc/73/16/71/1081731671.db2.gz WSUSDKIDCCBXMJ-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCc1ccccc1)N(C)C ZINC001482355456 1081756066 /nfs/dbraw/zinc/75/60/66/1081756066.db2.gz GOHTUKKFRZQZMR-FUHWJXTLSA-N 1 3 319.493 2.252 20 0 DEADHO CCCCC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001271402002 1082030378 /nfs/dbraw/zinc/03/03/78/1082030378.db2.gz BGHJQOJRVHWEMY-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO CCN(CC)CC(=O)N1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001271537965 1082075754 /nfs/dbraw/zinc/07/57/54/1082075754.db2.gz NYOTUCHFSRTBOE-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO OC1(C[NH2+]C[C@@H]2CCCCO2)CCN(Cc2ccccc2)CC1 ZINC000397497407 1082077673 /nfs/dbraw/zinc/07/76/73/1082077673.db2.gz RMIYDFGRAJCCSU-SFHVURJKSA-N 1 3 318.461 2.172 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CCF)C1 ZINC001266810861 1082361785 /nfs/dbraw/zinc/36/17/85/1082361785.db2.gz DWHQVNZXZBSOND-JKSUJKDBSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCC1=CCCCC1 ZINC001266945020 1082467999 /nfs/dbraw/zinc/46/79/99/1082467999.db2.gz XDOSHTDQYXKQNT-HNNXBMFYSA-N 1 3 307.482 2.456 20 0 DEADHO CCN(CCNCc1cccc(F)c1)C(=O)C1(C[NH+](C)C)CC1 ZINC001482945930 1082573830 /nfs/dbraw/zinc/57/38/30/1082573830.db2.gz BYZVJGJZVJLQHM-UHFFFAOYSA-N 1 3 321.440 2.106 20 0 DEADHO O=C(CN1CCCC1)NC/C=C\C[NH2+]CC1CCCCCC1 ZINC001483093932 1082703019 /nfs/dbraw/zinc/70/30/19/1082703019.db2.gz WCQMSMMJMIAEBC-WAYWQWQTSA-N 1 3 307.482 2.315 20 0 DEADHO Cc1cccc(C[NH2+]C/C=C\CNC(=O)CN(C)C(C)C)c1 ZINC001483098192 1082706376 /nfs/dbraw/zinc/70/63/76/1082706376.db2.gz PCHIWMXJZGFFAX-WAYWQWQTSA-N 1 3 303.450 2.097 20 0 DEADHO c1n[nH]cc1CN1CCCC2(CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC001276429110 1083427640 /nfs/dbraw/zinc/42/76/40/1083427640.db2.gz UFNRLDHUOPCQMT-KRWDZBQOSA-N 1 3 318.465 2.267 20 0 DEADHO CN1CCC2(C[NH+](C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001276638358 1083529422 /nfs/dbraw/zinc/52/94/22/1083529422.db2.gz VLUUVRNKCPCAPD-OAHLLOKOSA-N 1 3 323.481 2.271 20 0 DEADHO CCC/C=C/CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001279208745 1083731185 /nfs/dbraw/zinc/73/11/85/1083731185.db2.gz IAYKHXPAJQJUFL-LUXGMQOYSA-N 1 3 307.482 2.406 20 0 DEADHO NCCC[NH2+]CCCNC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC001239253096 1083768468 /nfs/dbraw/zinc/76/84/68/1083768468.db2.gz NSRJJEJBDUQAFT-UHFFFAOYSA-N 1 3 319.236 2.443 20 0 DEADHO [NH3+]CC[C@H]1CN(c2ccc3c(n2)OCCNC3)c2ccccc21 ZINC001168544236 1083818971 /nfs/dbraw/zinc/81/89/71/1083818971.db2.gz HCDFOSTXOWSJQF-AWEZNQCLSA-N 1 3 310.401 2.148 20 0 DEADHO CC(C)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)N(C)C ZINC001490969102 1083977816 /nfs/dbraw/zinc/97/78/16/1083977816.db2.gz HOVSYDZNCKJRNI-HMQMGEFJSA-N 1 3 307.482 2.094 20 0 DEADHO CC(C)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)N(C)C ZINC001490969102 1083977822 /nfs/dbraw/zinc/97/78/22/1083977822.db2.gz HOVSYDZNCKJRNI-HMQMGEFJSA-N 1 3 307.482 2.094 20 0 DEADHO CC[NH2+]CCCN(Cc1ccccc1)C(=O)CN1CC[C@@H](C)C1 ZINC001277461488 1083983222 /nfs/dbraw/zinc/98/32/22/1083983222.db2.gz IAOPJSPAROPQLG-QGZVFWFLSA-N 1 3 317.477 2.357 20 0 DEADHO Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)CN(C)C(C)C)C2)c(C)s1 ZINC001491079837 1084053103 /nfs/dbraw/zinc/05/31/03/1084053103.db2.gz HAWSYYFEROCMQK-IYBDPMFKSA-N 1 3 323.506 2.442 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC001491322056 1084234955 /nfs/dbraw/zinc/23/49/55/1084234955.db2.gz KFDDSPVARYAVPR-AKCFZSACSA-N 1 3 319.493 2.264 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC001491322056 1084234960 /nfs/dbraw/zinc/23/49/60/1084234960.db2.gz KFDDSPVARYAVPR-AKCFZSACSA-N 1 3 319.493 2.264 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)C[C@H]1CCN1CCCF ZINC001235338298 1084394952 /nfs/dbraw/zinc/39/49/52/1084394952.db2.gz WFUZLXGXGYDSSV-JKSUJKDBSA-N 1 3 313.461 2.142 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)C[C@H]1CCN1CCCF ZINC001235338298 1084394959 /nfs/dbraw/zinc/39/49/59/1084394959.db2.gz WFUZLXGXGYDSSV-JKSUJKDBSA-N 1 3 313.461 2.142 20 0 DEADHO CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C1CC1)N(C)C ZINC001235355721 1084402664 /nfs/dbraw/zinc/40/26/64/1084402664.db2.gz SUVSUOVWFIZXQE-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C1CC1)N(C)C ZINC001235355721 1084402669 /nfs/dbraw/zinc/40/26/69/1084402669.db2.gz SUVSUOVWFIZXQE-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO OCCCCC[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235362166 1084406569 /nfs/dbraw/zinc/40/65/69/1084406569.db2.gz LVNIATLXQYDETM-MOPGFXCFSA-N 1 3 302.462 2.402 20 0 DEADHO OCCCCC[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235362166 1084406575 /nfs/dbraw/zinc/40/65/75/1084406575.db2.gz LVNIATLXQYDETM-MOPGFXCFSA-N 1 3 302.462 2.402 20 0 DEADHO CN(CCN1CC[NH2+]CC1)Cc1ccc2nccc(Cl)c2c1 ZINC001236081847 1084608128 /nfs/dbraw/zinc/60/81/28/1084608128.db2.gz RJUQZUCDGKZDKH-UHFFFAOYSA-N 1 3 318.852 2.225 20 0 DEADHO CCCCOc1cccc(CN(C)CCN2CC[NH2+]CC2)c1 ZINC001236083143 1084608321 /nfs/dbraw/zinc/60/83/21/1084608321.db2.gz PBZISKIMKNSNQP-UHFFFAOYSA-N 1 3 305.466 2.203 20 0 DEADHO Nc1ccc2c(c1)CCN(Cc1ccccc1N1CC[NH2+]CC1)C2 ZINC001236105915 1084613027 /nfs/dbraw/zinc/61/30/27/1084613027.db2.gz XELMHAQWYAHYCL-UHFFFAOYSA-N 1 3 322.456 2.237 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]CCCF)C1CC1 ZINC001485839440 1084765533 /nfs/dbraw/zinc/76/55/33/1084765533.db2.gz YYRMMQLDKCSOHK-CVEARBPZSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CCCC1CCCC1 ZINC001485927873 1084990911 /nfs/dbraw/zinc/99/09/11/1084990911.db2.gz SFUXKUSPBRIMBV-AWEZNQCLSA-N 1 3 306.454 2.359 20 0 DEADHO C[C@@H]1[C@@H]([NH2+]C/C=C/Cl)CCN1C(=O)CN1CCC(C)CC1 ZINC001486092149 1085054178 /nfs/dbraw/zinc/05/41/78/1085054178.db2.gz ZDTKPCMGZFZELN-SBRLYDIBSA-N 1 3 313.873 2.050 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccccc1 ZINC000960489268 1085310734 /nfs/dbraw/zinc/31/07/34/1085310734.db2.gz TUAFEROOHARIMW-QZTJIDSGSA-N 1 3 315.461 2.204 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccccc1 ZINC000960489268 1085310736 /nfs/dbraw/zinc/31/07/36/1085310736.db2.gz TUAFEROOHARIMW-QZTJIDSGSA-N 1 3 315.461 2.204 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2C[N@H+](C)CC2CCC2)C1 ZINC000960861725 1085486165 /nfs/dbraw/zinc/48/61/65/1085486165.db2.gz HQPPODCKHKSECH-RDJZCZTQSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2C[N@@H+](C)CC2CCC2)C1 ZINC000960861725 1085486170 /nfs/dbraw/zinc/48/61/70/1085486170.db2.gz HQPPODCKHKSECH-RDJZCZTQSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC000961401438 1085721240 /nfs/dbraw/zinc/72/12/40/1085721240.db2.gz FIZXEMXNSWLMRW-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC000961401438 1085721248 /nfs/dbraw/zinc/72/12/48/1085721248.db2.gz FIZXEMXNSWLMRW-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H](CC[NH2+]CC1CC(C)C1)NC(=O)CN(C)CC(C)(C)C ZINC001273017479 1085975322 /nfs/dbraw/zinc/97/53/22/1085975322.db2.gz BMUDQNPVCWVBNN-PCKAHOCUSA-N 1 3 311.514 2.495 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001168755082 1086484976 /nfs/dbraw/zinc/48/49/76/1086484976.db2.gz HQQYTTZSKHPBRD-CQSZACIVSA-N 1 3 319.440 2.250 20 0 DEADHO CCC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)CN(CC)CC)[C@@H]2C1 ZINC001114997337 1086525840 /nfs/dbraw/zinc/52/58/40/1086525840.db2.gz JMQRXQXFYKKEPN-GMHAXMJCSA-N 1 3 307.482 2.121 20 0 DEADHO CCC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)CN(CC)CC)[C@@H]2C1 ZINC001114997337 1086525845 /nfs/dbraw/zinc/52/58/45/1086525845.db2.gz JMQRXQXFYKKEPN-GMHAXMJCSA-N 1 3 307.482 2.121 20 0 DEADHO CN(C(=O)CN1CCC(C)(C)C1)C1CCC([NH2+]CCF)CC1 ZINC000963902961 1086592528 /nfs/dbraw/zinc/59/25/28/1086592528.db2.gz UBBMDJDDHQBYGI-UHFFFAOYSA-N 1 3 313.461 2.047 20 0 DEADHO CC[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)CC1 ZINC000957559631 1088407234 /nfs/dbraw/zinc/40/72/34/1088407234.db2.gz MTXNALDPQPQZAQ-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CC[NH+]1CCC2(CCN(C(=O)CN3CC[C@@H](C)C3)CC2)CC1 ZINC000957605961 1088452412 /nfs/dbraw/zinc/45/24/12/1088452412.db2.gz RWFNFQFHJIGQPF-MRXNPFEDSA-N 1 3 307.482 2.053 20 0 DEADHO CC[C@@H](C(=O)N1CCC2(CC1)CC[NH+](CC1CC1)CC2)N(C)C ZINC000957606005 1088452517 /nfs/dbraw/zinc/45/25/17/1088452517.db2.gz URWUREYWEVANPZ-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[NH+]1CCC2(CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC000957612521 1088459414 /nfs/dbraw/zinc/45/94/14/1088459414.db2.gz NVYWJSKYHSQIEV-UHFFFAOYSA-N 1 3 304.438 2.065 20 0 DEADHO C[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C)N1CCCCCC1 ZINC001080554368 1089060138 /nfs/dbraw/zinc/06/01/38/1089060138.db2.gz NDNLLZVEWSKWQC-SOLBZPMBSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C)N1CCCCCC1 ZINC001080554368 1089060150 /nfs/dbraw/zinc/06/01/50/1089060150.db2.gz NDNLLZVEWSKWQC-SOLBZPMBSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](C(=O)N1CCc2ccccc2[C@H]1C[NH2+]C(C)C)N(C)C ZINC000958791326 1089184596 /nfs/dbraw/zinc/18/45/96/1089184596.db2.gz PABHZKLCMFFNII-QZTJIDSGSA-N 1 3 317.477 2.451 20 0 DEADHO C[C@H](CC[NH+](C)C)C(=O)N(C)CCCN(C)Cc1ccco1 ZINC001412932383 1089690596 /nfs/dbraw/zinc/69/05/96/1089690596.db2.gz WKZWCUHVXIXFSD-OAHLLOKOSA-N 1 3 309.454 2.148 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001082748357 1090055605 /nfs/dbraw/zinc/05/56/05/1090055605.db2.gz IMUDTSWIAYQMHI-OIISXLGYSA-N 1 3 321.509 2.343 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CCC1CCCC1 ZINC001082740762 1090067688 /nfs/dbraw/zinc/06/76/88/1090067688.db2.gz FTFIBRPVWZLJSP-JFIYKMOQSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCC3CC3)C[C@H]21 ZINC001084338146 1090270899 /nfs/dbraw/zinc/27/08/99/1090270899.db2.gz GXBMFHVFBCAEJB-FGTMMUONSA-N 1 3 319.493 2.192 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCC3CC3)C[C@H]21 ZINC001084338146 1090270901 /nfs/dbraw/zinc/27/09/01/1090270901.db2.gz GXBMFHVFBCAEJB-FGTMMUONSA-N 1 3 319.493 2.192 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001084345674 1090272427 /nfs/dbraw/zinc/27/24/27/1090272427.db2.gz KMIKMZKLQBELLV-HZPDHXFCSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001084345674 1090272436 /nfs/dbraw/zinc/27/24/36/1090272436.db2.gz KMIKMZKLQBELLV-HZPDHXFCSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001084700972 1090400988 /nfs/dbraw/zinc/40/09/88/1090400988.db2.gz IUXQMDSEUXVCQJ-KZNAEPCWSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001084700972 1090400992 /nfs/dbraw/zinc/40/09/92/1090400992.db2.gz IUXQMDSEUXVCQJ-KZNAEPCWSA-N 1 3 321.509 2.440 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001084700982 1090401688 /nfs/dbraw/zinc/40/16/88/1090401688.db2.gz JIQSSIKHVHZREC-BRWVUGGUSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001084700982 1090401691 /nfs/dbraw/zinc/40/16/91/1090401691.db2.gz JIQSSIKHVHZREC-BRWVUGGUSA-N 1 3 307.482 2.194 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]C[C@@H](F)CC)CCCCC1 ZINC001120046225 1090632149 /nfs/dbraw/zinc/63/21/49/1090632149.db2.gz RWDCPHJUFPYFED-HNNXBMFYSA-N 1 3 315.477 2.485 20 0 DEADHO Cc1cc(F)ccc1C[NH2+][C@H](C)CN(C)C(=O)CN(C)C(C)C ZINC001410512434 1091022769 /nfs/dbraw/zinc/02/27/69/1091022769.db2.gz NZCFBBRUPJLYBO-OAHLLOKOSA-N 1 3 323.456 2.411 20 0 DEADHO CCC(CC)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001410865686 1091175704 /nfs/dbraw/zinc/17/57/04/1091175704.db2.gz OBRZMEHXFOQSDU-GDBMZVCRSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H]([NH2+]C/C=C/CNC(=O)CN1CCCC1)c1cccc(F)c1 ZINC001274578507 1091306667 /nfs/dbraw/zinc/30/66/67/1091306667.db2.gz JHCLMCSJGIQBAC-XYBNCVKDSA-N 1 3 319.424 2.245 20 0 DEADHO Cc1cc(F)cc(CN2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)c1 ZINC001274999285 1091509033 /nfs/dbraw/zinc/50/90/33/1091509033.db2.gz YJOKNKYZTVIVEW-ROUUACIJSA-N 1 3 305.441 2.344 20 0 DEADHO Cc1cc(F)cc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)c1 ZINC001274999285 1091509042 /nfs/dbraw/zinc/50/90/42/1091509042.db2.gz YJOKNKYZTVIVEW-ROUUACIJSA-N 1 3 305.441 2.344 20 0 DEADHO CC(C)=CC[NH2+]C[C@@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001275032288 1091522687 /nfs/dbraw/zinc/52/26/87/1091522687.db2.gz YQGSOHYWCVJERP-IRXDYDNUSA-N 1 3 307.482 2.265 20 0 DEADHO COc1ccc(CN2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c(C)c1 ZINC001276093178 1091543044 /nfs/dbraw/zinc/54/30/44/1091543044.db2.gz ZVSSAYWHVMNLFI-HDICACEKSA-N 1 3 317.477 2.214 20 0 DEADHO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2Cc1ccc2c(c1)CCC2 ZINC001275198577 1091610640 /nfs/dbraw/zinc/61/06/40/1091610640.db2.gz APMSCIITASINCD-BGYRXZFFSA-N 1 3 313.489 2.386 20 0 DEADHO c1n[nH]cc1CN1CCC2(CCC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001275210910 1091615082 /nfs/dbraw/zinc/61/50/82/1091615082.db2.gz GAPBHEJBBCXRDV-UHFFFAOYSA-N 1 3 314.437 2.011 20 0 DEADHO c1n[nH]cc1CN1CCC2(CCC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001275210910 1091615091 /nfs/dbraw/zinc/61/50/91/1091615091.db2.gz GAPBHEJBBCXRDV-UHFFFAOYSA-N 1 3 314.437 2.011 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)[C@@H](N)CC3CCCCC3)C[C@H]2C1 ZINC001649143684 1091654597 /nfs/dbraw/zinc/65/45/97/1091654597.db2.gz WOSHUJIWCUJPEO-TVFCKZIOSA-N 1 3 321.509 2.473 20 0 DEADHO C[NH+](C)CCN1CC2(C1)CCN(Cc1cccc(CF)n1)CC2 ZINC001275504534 1091811723 /nfs/dbraw/zinc/81/17/23/1091811723.db2.gz ARBUFLGOHOAIRJ-UHFFFAOYSA-N 1 3 320.456 2.011 20 0 DEADHO CCN(CC[NH2+]Cc1ccc(C)c(F)c1)C(=O)[C@H]1CCCN1C ZINC001273547208 1091916551 /nfs/dbraw/zinc/91/65/51/1091916551.db2.gz XCJNUDOBJQTDFD-QGZVFWFLSA-N 1 3 321.440 2.166 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](N(C)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000948766021 1091922955 /nfs/dbraw/zinc/92/29/55/1091922955.db2.gz GIQZKSFVEOGRFP-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](N(C)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000948766021 1091922965 /nfs/dbraw/zinc/92/29/65/1091922965.db2.gz GIQZKSFVEOGRFP-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H]1CCCN1CC(=O)N(C)[C@H]1CCC[N@H+](CC2CC2)CC1 ZINC000948775557 1091929522 /nfs/dbraw/zinc/92/95/22/1091929522.db2.gz LHTQDKHQUPLLMI-RDJZCZTQSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1CCCN1CC(=O)N(C)[C@H]1CCC[N@@H+](CC2CC2)CC1 ZINC000948775557 1091929527 /nfs/dbraw/zinc/92/95/27/1091929527.db2.gz LHTQDKHQUPLLMI-RDJZCZTQSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)CC[N@@H+]1CCCC2(CCN(Cc3ccncc3)CC2)C1 ZINC001275889250 1092276873 /nfs/dbraw/zinc/27/68/73/1092276873.db2.gz QQJPQHBBMZMIKX-UHFFFAOYSA-N 1 3 316.493 2.321 20 0 DEADHO CN(C)CC[N@H+]1CCCC2(CCN(Cc3ccncc3)CC2)C1 ZINC001275889250 1092276885 /nfs/dbraw/zinc/27/68/85/1092276885.db2.gz QQJPQHBBMZMIKX-UHFFFAOYSA-N 1 3 316.493 2.321 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC4(CCC4)C3)CC2)CC1 ZINC001411891448 1092295648 /nfs/dbraw/zinc/29/56/48/1092295648.db2.gz AHQSYUJCJNJWQF-UHFFFAOYSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001488858108 1092782790 /nfs/dbraw/zinc/78/27/90/1092782790.db2.gz HKPKZOHTEIUWRM-BFYDXBDKSA-N 1 3 321.509 2.249 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1[C@@H]2CCC[N@H+](CCC)[C@@H]2C1(C)C ZINC001489084397 1092908653 /nfs/dbraw/zinc/90/86/53/1092908653.db2.gz HLOHCKYKFZMDNR-UAGQMJEPSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1[C@@H]2CCC[N@@H+](CCC)[C@@H]2C1(C)C ZINC001489084397 1092908661 /nfs/dbraw/zinc/90/86/61/1092908661.db2.gz HLOHCKYKFZMDNR-UAGQMJEPSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCCC[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001489244358 1092982074 /nfs/dbraw/zinc/98/20/74/1092982074.db2.gz UBADVKMKICGEOK-HOTGVXAUSA-N 1 3 315.477 2.436 20 0 DEADHO CC[C@H](F)CN(C)CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001490256553 1093266016 /nfs/dbraw/zinc/26/60/16/1093266016.db2.gz PCOROUKBGNFYOZ-HOTGVXAUSA-N 1 3 315.477 2.437 20 0 DEADHO CCC[C@@H]1CC(=O)N(CN2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)C1 ZINC001352759799 1151776122 /nfs/dbraw/zinc/77/61/22/1151776122.db2.gz GNIJVSAEKOUVJD-QZWWFDLISA-N 1 3 307.482 2.255 20 0 DEADHO C[C@@H]1CN(C[C@@H]2C[NH2+]C(C)(C)O2)[C@H](C)CN1Cc1ccccc1 ZINC001237000786 1138478966 /nfs/dbraw/zinc/47/89/66/1138478966.db2.gz SUYUWASKRUBRKP-NUJGCVRESA-N 1 3 317.477 2.306 20 0 DEADHO Cc1ccc2c(CN3CC4(CN(CC[NH+](C)C)C4)C3)cccc2n1 ZINC001278173859 1138814549 /nfs/dbraw/zinc/81/45/49/1138814549.db2.gz UPKNIDQQZFGADX-UHFFFAOYSA-N 1 3 324.472 2.222 20 0 DEADHO NC(=O)CCCCCN1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001278217652 1138839173 /nfs/dbraw/zinc/83/91/73/1138839173.db2.gz KJMHZVYSSXTMDY-UHFFFAOYSA-N 1 3 307.482 2.373 20 0 DEADHO Cc1cnc(-c2ccc(CN3CCN(C)CC3)cc2)c(C[NH3+])c1 ZINC001240395360 1139356914 /nfs/dbraw/zinc/35/69/14/1139356914.db2.gz CACGCUVXRDIWNB-UHFFFAOYSA-N 1 3 310.445 2.263 20 0 DEADHO CC(C)(C)C(=O)Nc1ccc(CN)nc1C1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001242020783 1139871545 /nfs/dbraw/zinc/87/15/45/1139871545.db2.gz QTSWTAHLQLCJGH-OLZOCXBDSA-N 1 3 314.433 2.433 20 0 DEADHO CCCC[C@H](CC)COC[C@@H](O)CN1CCC[C@@H]([NH3+])CC1 ZINC001246018161 1140846234 /nfs/dbraw/zinc/84/62/34/1140846234.db2.gz VAHFPADWIDIFRO-BBWFWOEESA-N 1 3 300.487 2.394 20 0 DEADHO Clc1cccc2c1C[C@H]([NH2+][C@@H]1[C@H]3CNC[C@@H]1COC3)CC2 ZINC001246145157 1140865935 /nfs/dbraw/zinc/86/59/35/1140865935.db2.gz DQSCEHRXUKJJNW-OEUWWYETSA-N 1 3 306.837 2.021 20 0 DEADHO C[C@@H](Cc1c(F)cccc1Cl)N[C@@H]1[C@H]2C[NH2+]C[C@@H]1COC2 ZINC001246152446 1140867055 /nfs/dbraw/zinc/86/70/55/1140867055.db2.gz XPHWESHFWGJZAU-PVTKRXDGSA-N 1 3 312.816 2.234 20 0 DEADHO C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@@H]1[C@H]2CNC[C@@H]1COC2 ZINC001246152446 1140867056 /nfs/dbraw/zinc/86/70/56/1140867056.db2.gz XPHWESHFWGJZAU-PVTKRXDGSA-N 1 3 312.816 2.234 20 0 DEADHO COc1ccccc1CN1CCC([NH2+][C@@H]2CC[C@@H](C)NC2)CC1 ZINC001246177657 1140870562 /nfs/dbraw/zinc/87/05/62/1140870562.db2.gz CRDCLSOCWGSHTK-CRAIPNDOSA-N 1 3 317.477 2.390 20 0 DEADHO CCOC(=O)[C@@H]1C[NH2+]CC[C@H]1N[C@H](C)Cc1ccccc1Cl ZINC001246204232 1140872546 /nfs/dbraw/zinc/87/25/46/1140872546.db2.gz YOTQUJDKSQEJNV-XNRPHZJLSA-N 1 3 324.852 2.402 20 0 DEADHO Cc1cc(F)ccc1[C@@H]1C[C@@H](N[C@@H]2CCNC[C@@H]2F)CC[NH2+]1 ZINC001246204865 1140872777 /nfs/dbraw/zinc/87/27/77/1140872777.db2.gz HWHIFQVVOPIENA-LLLHUVSDSA-N 1 3 309.404 2.217 20 0 DEADHO CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1N[C@@H](C)Cc1ccccc1Cl ZINC001246204230 1140872950 /nfs/dbraw/zinc/87/29/50/1140872950.db2.gz YOTQUJDKSQEJNV-BJJXKVORSA-N 1 3 324.852 2.402 20 0 DEADHO Fc1cccc(F)c1CN1CCC(N[C@@H]2CCC[NH2+]C2)CC1 ZINC001246353761 1140887731 /nfs/dbraw/zinc/88/77/31/1140887731.db2.gz DXGCZSXQIWMMPG-CQSZACIVSA-N 1 3 309.404 2.271 20 0 DEADHO FC(F)(F)[C@H]1C[C@H]([NH2+]C2(CC3CC3)CCNCC2)CCN1 ZINC001246379748 1140891214 /nfs/dbraw/zinc/89/12/14/1140891214.db2.gz BXWQETUKXYOUNL-CHWSQXEVSA-N 1 3 305.388 2.181 20 0 DEADHO CC(=O)N1CC[C@@H](N[C@H](c2ccccc2F)C2CC[NH2+]CC2)C1 ZINC001246400557 1140894438 /nfs/dbraw/zinc/89/44/38/1140894438.db2.gz OTWXAJNKJXSDRC-QAPCUYQASA-N 1 3 319.424 2.077 20 0 DEADHO COc1cc2c(cc1OC)C[C@H]([NH2+][C@H]1CCN[C@@H](C)C1)CC2 ZINC001246465387 1140911701 /nfs/dbraw/zinc/91/17/01/1140911701.db2.gz XVKRRFWKLCQTSJ-MAZHCROVSA-N 1 3 304.434 2.291 20 0 DEADHO COC(=O)C1(C)CCC(N2CCC(F)(F)[C@@H](C[NH3+])C2)CC1 ZINC001246553336 1140958799 /nfs/dbraw/zinc/95/87/99/1140958799.db2.gz AULHIVXRUCTIKE-DCBWTQNWSA-N 1 3 304.381 2.024 20 0 DEADHO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246617409 1141004534 /nfs/dbraw/zinc/00/45/34/1141004534.db2.gz CESDYBREHBDGNI-ARFHVFGLSA-N 1 3 302.418 2.420 20 0 DEADHO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246617409 1141004543 /nfs/dbraw/zinc/00/45/43/1141004543.db2.gz CESDYBREHBDGNI-ARFHVFGLSA-N 1 3 302.418 2.420 20 0 DEADHO CC[C@H](Cc1ccc2c(c1)OCO2)N1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246617409 1141004552 /nfs/dbraw/zinc/00/45/52/1141004552.db2.gz CESDYBREHBDGNI-ARFHVFGLSA-N 1 3 302.418 2.420 20 0 DEADHO COc1ccc(CC[C@H](C)N2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001246612698 1141005429 /nfs/dbraw/zinc/00/54/29/1141005429.db2.gz CNPOZSHPUVHWHX-SNRMKQJTSA-N 1 3 317.477 2.042 20 0 DEADHO Cc1ccc(C[C@H](C)N2CC[NH2+]C[C@]3(CCCCN3)C2)cc1 ZINC001246621399 1141007633 /nfs/dbraw/zinc/00/76/33/1141007633.db2.gz BNZNGYSJURJTDK-PKOBYXMFSA-N 1 3 301.478 2.344 20 0 DEADHO CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2[C@@H]2CCN[C@@H](C)C2)O1 ZINC001246746842 1141050652 /nfs/dbraw/zinc/05/06/52/1141050652.db2.gz OVPGEBOWYABINE-YYWYGQEZSA-N 1 3 310.482 2.421 20 0 DEADHO CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2[C@@H]2CCN[C@@H](C)C2)O1 ZINC001246746842 1141050660 /nfs/dbraw/zinc/05/06/60/1141050660.db2.gz OVPGEBOWYABINE-YYWYGQEZSA-N 1 3 310.482 2.421 20 0 DEADHO C[C@H]1C[C@@H]([N@@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)CCN1 ZINC001246753881 1141051414 /nfs/dbraw/zinc/05/14/14/1141051414.db2.gz DKHLAKNWCWJRIB-WZGPROSRSA-N 1 3 322.493 2.282 20 0 DEADHO C[C@H]1C[C@@H]([N@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)CCN1 ZINC001246753881 1141051424 /nfs/dbraw/zinc/05/14/24/1141051424.db2.gz DKHLAKNWCWJRIB-WZGPROSRSA-N 1 3 322.493 2.282 20 0 DEADHO C[C@@H]1C[C@H](N2CCN[C@H](c3cccc(Br)c3)C2)C[NH2+]1 ZINC001246806412 1141068238 /nfs/dbraw/zinc/06/82/38/1141068238.db2.gz MXTUIYCQWABQNO-UGFHNGPFSA-N 1 3 324.266 2.146 20 0 DEADHO CCOC(=O)c1ccc(C[C@H](C)[N@@H+]2C[C@H]3CC[C@@]3(N)C2)cc1 ZINC001246859906 1141090889 /nfs/dbraw/zinc/09/08/89/1141090889.db2.gz LTUGKKJGVPBEDP-FDQGKXFDSA-N 1 3 302.418 2.217 20 0 DEADHO CCOC(=O)c1ccc(C[C@H](C)[N@H+]2C[C@H]3CC[C@@]3(N)C2)cc1 ZINC001246859906 1141090900 /nfs/dbraw/zinc/09/09/00/1141090900.db2.gz LTUGKKJGVPBEDP-FDQGKXFDSA-N 1 3 302.418 2.217 20 0 DEADHO O=C1C[C@H](N(Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)CCN1 ZINC001246946290 1141161147 /nfs/dbraw/zinc/16/11/47/1141161147.db2.gz KRRWIUSTJOXXKY-MRXNPFEDSA-N 1 3 321.852 2.173 20 0 DEADHO O=C1C[C@H]([N@H+](Cc2ccc(Cl)cc2)C2CCNCC2)CCN1 ZINC001246946290 1141161195 /nfs/dbraw/zinc/16/11/95/1141161195.db2.gz KRRWIUSTJOXXKY-MRXNPFEDSA-N 1 3 321.852 2.173 20 0 DEADHO O=C1C[C@H]([N@@H+](Cc2ccc(Cl)cc2)C2CCNCC2)CCN1 ZINC001246946290 1141161235 /nfs/dbraw/zinc/16/12/35/1141161235.db2.gz KRRWIUSTJOXXKY-MRXNPFEDSA-N 1 3 321.852 2.173 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C/C=C/Cl)C2 ZINC001421512992 1171828248 /nfs/dbraw/zinc/82/82/48/1171828248.db2.gz DSQISMSXCHFLOK-KLJLBDGCSA-N 1 3 313.873 2.050 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C/C=C/Cl)C2 ZINC001421512992 1171828252 /nfs/dbraw/zinc/82/82/52/1171828252.db2.gz DSQISMSXCHFLOK-KLJLBDGCSA-N 1 3 313.873 2.050 20 0 DEADHO C[N@@H+]1CCC[C@@H](NC[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC001250681986 1142264385 /nfs/dbraw/zinc/26/43/85/1142264385.db2.gz NDHZRPWVUVHMRT-HUUCEWRRSA-N 1 3 312.841 2.154 20 0 DEADHO C[N@H+]1CCC[C@@H](NC[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC001250681986 1142264393 /nfs/dbraw/zinc/26/43/93/1142264393.db2.gz NDHZRPWVUVHMRT-HUUCEWRRSA-N 1 3 312.841 2.154 20 0 DEADHO C[NH+](C)CCC(C)(C)NC[C@H](O)COc1ccc(Cl)cc1 ZINC001250686344 1142266278 /nfs/dbraw/zinc/26/62/78/1142266278.db2.gz UFUXYPHEXKYHHV-AWEZNQCLSA-N 1 3 314.857 2.400 20 0 DEADHO COc1cccc([C@H](O)C[NH2+][C@@H]2CCN(C(C)C)C[C@@H]2C)c1 ZINC001250740965 1142301627 /nfs/dbraw/zinc/30/16/27/1142301627.db2.gz DEZIANOFKODRFT-BMGDILEWSA-N 1 3 306.450 2.437 20 0 DEADHO O[C@@H](C[NH2+]CCCN1CCCCC1)COc1cccc(F)c1 ZINC001250826481 1142327837 /nfs/dbraw/zinc/32/78/37/1142327837.db2.gz JBCODEPZPIMNQD-INIZCTEOSA-N 1 3 310.413 2.031 20 0 DEADHO CC(C)(O)C[NH+]1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC001252354635 1142690737 /nfs/dbraw/zinc/69/07/37/1142690737.db2.gz WSXCNMIBEISFFN-UHFFFAOYSA-N 1 3 303.450 2.140 20 0 DEADHO CCN(CC)C[C@H](O)C[NH2+]C1(Cc2cccc(OC)c2)CC1 ZINC001253212946 1142855160 /nfs/dbraw/zinc/85/51/60/1142855160.db2.gz JHDUKYXWRXGJPH-MRXNPFEDSA-N 1 3 306.450 2.063 20 0 DEADHO COCCC1([NH2+]C[C@H](O)CNC(C)(C)C)CCC(F)(F)CC1 ZINC001253410833 1142870179 /nfs/dbraw/zinc/87/01/79/1142870179.db2.gz SVLUWOZNGBCXMF-CYBMUJFWSA-N 1 3 322.440 2.310 20 0 DEADHO CC(C)(C)[NH2+]C[C@@H](O)CNc1ccncc1Oc1ccccc1 ZINC001253385316 1142867385 /nfs/dbraw/zinc/86/73/85/1142867385.db2.gz ZSWRAHBQUSHOTF-AWEZNQCLSA-N 1 3 315.417 2.457 20 0 DEADHO CC(C)(C)[C@H](O)C[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001253747174 1142905744 /nfs/dbraw/zinc/90/57/44/1142905744.db2.gz JMQVXGQLSSCPSZ-QGZVFWFLSA-N 1 3 305.466 2.290 20 0 DEADHO COC(=O)C[C@H]([NH2+][C@@H]1CCCN(C)CC1)c1ccc(O)cc1 ZINC001254507419 1143156251 /nfs/dbraw/zinc/15/62/51/1143156251.db2.gz BQTITUPHNBFKBW-ZBFHGGJFSA-N 1 3 306.406 2.070 20 0 DEADHO CCOC(=O)Cc1cccc(C[NH2+][C@@H]2CCCN(C)CC2)c1 ZINC001254511266 1143160595 /nfs/dbraw/zinc/16/05/95/1143160595.db2.gz YAAROUOMVWKDND-QGZVFWFLSA-N 1 3 304.434 2.366 20 0 DEADHO CCOC(=O)Cc1cccc(CN[C@@H]2CCC[N@H+](C)CC2)c1 ZINC001254511266 1143160614 /nfs/dbraw/zinc/16/06/14/1143160614.db2.gz YAAROUOMVWKDND-QGZVFWFLSA-N 1 3 304.434 2.366 20 0 DEADHO CCOC(=O)Cc1cccc(CN[C@@H]2CCC[N@@H+](C)CC2)c1 ZINC001254511266 1143160628 /nfs/dbraw/zinc/16/06/28/1143160628.db2.gz YAAROUOMVWKDND-QGZVFWFLSA-N 1 3 304.434 2.366 20 0 DEADHO CN1CCN(CC[NH2+]CCc2ccc(F)cc2F)CC1(C)C ZINC001339891401 1143162185 /nfs/dbraw/zinc/16/21/85/1143162185.db2.gz AQXKTYNTYDEMTQ-UHFFFAOYSA-N 1 3 311.420 2.123 20 0 DEADHO CN1CCC[C@@H]([N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)CC1 ZINC001254517327 1143175372 /nfs/dbraw/zinc/17/53/72/1143175372.db2.gz UMWUMXQIWXQQTD-HUUCEWRRSA-N 1 3 323.481 2.460 20 0 DEADHO CN1CCC[C@@H]([N@H+]2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)CC1 ZINC001254517327 1143175400 /nfs/dbraw/zinc/17/54/00/1143175400.db2.gz UMWUMXQIWXQQTD-HUUCEWRRSA-N 1 3 323.481 2.460 20 0 DEADHO CN([C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@H+](C)CC1 ZINC001254522746 1143202240 /nfs/dbraw/zinc/20/22/40/1143202240.db2.gz JGIOSZGGMKCREB-LSDHHAIUSA-N 1 3 311.470 2.412 20 0 DEADHO CN([C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254522746 1143202295 /nfs/dbraw/zinc/20/22/95/1143202295.db2.gz JGIOSZGGMKCREB-LSDHHAIUSA-N 1 3 311.470 2.412 20 0 DEADHO CN1CCC[C@@H]([N@@H+]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001254529725 1143218404 /nfs/dbraw/zinc/21/84/04/1143218404.db2.gz PRSAGDMBAQMFAS-GOSISDBHSA-N 1 3 315.461 2.319 20 0 DEADHO CN1CCC[C@@H]([N@H+]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001254529725 1143218423 /nfs/dbraw/zinc/21/84/23/1143218423.db2.gz PRSAGDMBAQMFAS-GOSISDBHSA-N 1 3 315.461 2.319 20 0 DEADHO c1ccc2c(c1)CCN1CC[N@@H+]([C@@H]3CC4CCN(CC4)C3)C[C@H]21 ZINC001254864855 1143346495 /nfs/dbraw/zinc/34/64/95/1143346495.db2.gz UHLILOZHRAOSLM-UYAOXDASSA-N 1 3 311.473 2.386 20 0 DEADHO c1ccc2c(c1)CCN1CC[N@H+]([C@@H]3CC4CCN(CC4)C3)C[C@H]21 ZINC001254864855 1143346505 /nfs/dbraw/zinc/34/65/05/1143346505.db2.gz UHLILOZHRAOSLM-UYAOXDASSA-N 1 3 311.473 2.386 20 0 DEADHO CNC(=O)CCN(C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255142495 1143442444 /nfs/dbraw/zinc/44/24/44/1143442444.db2.gz DDMXODCCFRULST-PIIMJCKOSA-N 1 3 315.461 2.250 20 0 DEADHO CNC(=O)CCN(C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255142495 1143442469 /nfs/dbraw/zinc/44/24/69/1143442469.db2.gz DDMXODCCFRULST-PIIMJCKOSA-N 1 3 315.461 2.250 20 0 DEADHO CN1CCN(Cc2ccccc2C[NH2+][C@@H]2CCSC2)CC1 ZINC001255269862 1143532947 /nfs/dbraw/zinc/53/29/47/1143532947.db2.gz PQHTWJYBTASLSK-QGZVFWFLSA-N 1 3 305.491 2.029 20 0 DEADHO C[C@@H](CC(F)(F)F)N1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001255664795 1143800201 /nfs/dbraw/zinc/80/02/01/1143800201.db2.gz SSQMYPIIXHQHDW-ZDUSSCGKSA-N 1 3 307.404 2.287 20 0 DEADHO CC[NH+](CC)CC[C@H](C)N[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001255950738 1143816433 /nfs/dbraw/zinc/81/64/33/1143816433.db2.gz KKYAGTHGKUVUCD-STQMWFEESA-N 1 3 323.403 2.250 20 0 DEADHO OC[C@H](Cc1ccc(F)cc1F)NC1CC[NH+](C2CC2)CC1 ZINC001256074336 1143827639 /nfs/dbraw/zinc/82/76/39/1143827639.db2.gz SVZMUHQTEDDZCV-HNNXBMFYSA-N 1 3 310.388 2.085 20 0 DEADHO C[C@@H]1C[C@@H](N[C@@H]2CNC(=O)C2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001256536048 1143852124 /nfs/dbraw/zinc/85/21/24/1143852124.db2.gz FBHXJHAYSULTFE-HYVNUMGLSA-N 1 3 315.461 2.154 20 0 DEADHO C[C@@H]1C[C@@H](N[C@@H]2CNC(=O)C2(C)C)CC[N@H+]1Cc1ccccc1 ZINC001256536048 1143852126 /nfs/dbraw/zinc/85/21/26/1143852126.db2.gz FBHXJHAYSULTFE-HYVNUMGLSA-N 1 3 315.461 2.154 20 0 DEADHO C[C@@H]1C[C@H](n2cc(CN)cnc2=N)CC[N@@H+]1Cc1ccccc1 ZINC001256530543 1143852239 /nfs/dbraw/zinc/85/22/39/1143852239.db2.gz CMZLCPMVUSBNAR-RHSMWYFYSA-N 1 3 311.433 2.047 20 0 DEADHO C[C@@H]1C[C@H](n2cc(CN)cnc2=N)CC[N@H+]1Cc1ccccc1 ZINC001256530543 1143852240 /nfs/dbraw/zinc/85/22/40/1143852240.db2.gz CMZLCPMVUSBNAR-RHSMWYFYSA-N 1 3 311.433 2.047 20 0 DEADHO c1cc(CN2CCC(N3CCC[N@@H+]4CCC[C@H]4C3)CC2)ccn1 ZINC001256591891 1143855960 /nfs/dbraw/zinc/85/59/60/1143855960.db2.gz YCYXKZBJTTXOBW-IBGZPJMESA-N 1 3 314.477 2.216 20 0 DEADHO c1cc(CN2CCC(N3CCC[N@H+]4CCC[C@H]4C3)CC2)ccn1 ZINC001256591891 1143855961 /nfs/dbraw/zinc/85/59/61/1143855961.db2.gz YCYXKZBJTTXOBW-IBGZPJMESA-N 1 3 314.477 2.216 20 0 DEADHO CCO[C@@H]1CO[C@@]2(C1)CCCN(C1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001256623649 1143858131 /nfs/dbraw/zinc/85/81/31/1143858131.db2.gz RQKHUGVUKFVILK-VQTPCSAVSA-N 1 3 308.466 2.272 20 0 DEADHO CCO[C@@H]1CO[C@@]2(C1)CCCN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001256623649 1143858132 /nfs/dbraw/zinc/85/81/32/1143858132.db2.gz RQKHUGVUKFVILK-VQTPCSAVSA-N 1 3 308.466 2.272 20 0 DEADHO COc1ccnc(O[C@H]2CC[N@@H+](C3C[C@H]4CC[C@@H](C3)N4C)C2)c1 ZINC001256630675 1143858590 /nfs/dbraw/zinc/85/85/90/1143858590.db2.gz GTXZRRKLAIDFMR-MYSGWJLTSA-N 1 3 317.433 2.169 20 0 DEADHO COc1ccnc(O[C@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)N4C)C2)c1 ZINC001256630675 1143858591 /nfs/dbraw/zinc/85/85/91/1143858591.db2.gz GTXZRRKLAIDFMR-MYSGWJLTSA-N 1 3 317.433 2.169 20 0 DEADHO OC[C@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1ccc(F)cc1 ZINC001256678486 1143861579 /nfs/dbraw/zinc/86/15/79/1143861579.db2.gz WYRPZRQXRDCFEY-ABHNRTSZSA-N 1 3 322.424 2.092 20 0 DEADHO C[C@H](CN1CCC(C)CC1)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256682543 1143861722 /nfs/dbraw/zinc/86/17/22/1143861722.db2.gz KRIKDLSHEBNFTJ-LMDPOFIKSA-N 1 3 323.525 2.340 20 0 DEADHO c1cc2c(c(C[NH2+]C3CCC(N4CCOCC4)CC3)c1)OCO2 ZINC001256682777 1143862127 /nfs/dbraw/zinc/86/21/27/1143862127.db2.gz QCAMFQSHACHEAN-UHFFFAOYSA-N 1 3 318.417 2.148 20 0 DEADHO CCN1CCC([N@H+](C)C2CCC(N3CCOCC3)CC2)CC1 ZINC001256695226 1143863193 /nfs/dbraw/zinc/86/31/93/1143863193.db2.gz RGBHPLZICMNNFZ-UHFFFAOYSA-N 1 3 309.498 2.046 20 0 DEADHO CCN1CCC([N@@H+](C)C2CCC(N3CCOCC3)CC2)CC1 ZINC001256695226 1143863194 /nfs/dbraw/zinc/86/31/94/1143863194.db2.gz RGBHPLZICMNNFZ-UHFFFAOYSA-N 1 3 309.498 2.046 20 0 DEADHO CCC[C@H](C)N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001257321070 1143898078 /nfs/dbraw/zinc/89/80/78/1143898078.db2.gz JQKTWQZBTKRGHE-HNNXBMFYSA-N 1 3 308.470 2.356 20 0 DEADHO CC(C)C[NH+]1CCC(N[C@@H]2CCN(Cc3ccccn3)C2)CC1 ZINC001258008329 1143964913 /nfs/dbraw/zinc/96/49/13/1143964913.db2.gz NFXXBQJOEOYZQG-LJQANCHMSA-N 1 3 316.493 2.366 20 0 DEADHO CC(C)CN1CCC([NH2+][C@@H]2CCN(Cc3ccccn3)C2)CC1 ZINC001258008329 1143964917 /nfs/dbraw/zinc/96/49/17/1143964917.db2.gz NFXXBQJOEOYZQG-LJQANCHMSA-N 1 3 316.493 2.366 20 0 DEADHO COC(=O)CCN(C)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258148161 1143978406 /nfs/dbraw/zinc/97/84/06/1143978406.db2.gz DHABDCPOMGAIMG-UHFFFAOYSA-N 1 3 304.434 2.188 20 0 DEADHO C[C@@H](Cc1ccco1)N1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001258200147 1143983277 /nfs/dbraw/zinc/98/32/77/1143983277.db2.gz RQNCVMJWUUQTLU-INIZCTEOSA-N 1 3 305.466 2.170 20 0 DEADHO COC(=O)[C@@H](C[NH3+])CN[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC001258674587 1144033045 /nfs/dbraw/zinc/03/30/45/1144033045.db2.gz ANILVYVXMYQGCT-ONGXEEELSA-N 1 3 319.232 2.262 20 0 DEADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+]([C@H]3CCC(C)(C)C3)CC[C@@H]21 ZINC001258605766 1144024923 /nfs/dbraw/zinc/02/49/23/1144024923.db2.gz MBOXCLYJYQRTHP-QZWWFDLISA-N 1 3 317.481 2.251 20 0 DEADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@H+]([C@H]3CCC(C)(C)C3)CC[C@@H]21 ZINC001258605766 1144024925 /nfs/dbraw/zinc/02/49/25/1144024925.db2.gz MBOXCLYJYQRTHP-QZWWFDLISA-N 1 3 317.481 2.251 20 0 DEADHO COC(=O)[C@@H](C[NH3+])CN[C@H](C)Cc1ccc(Cl)cc1Cl ZINC001258674585 1144033211 /nfs/dbraw/zinc/03/32/11/1144033211.db2.gz ANILVYVXMYQGCT-KOLCDFICSA-N 1 3 319.232 2.262 20 0 DEADHO CC[NH+](CC)CCC[C@H](C)N[C@H]1c2ccccc2CNC1=O ZINC001258901885 1144052646 /nfs/dbraw/zinc/05/26/46/1144052646.db2.gz OYIYTJVHRIKFDI-YOEHRIQHSA-N 1 3 303.450 2.458 20 0 DEADHO C[C@H](CC[NH2+]C[C@@H](O)c1ccc(Br)cc1)N(C)C ZINC001262565588 1144319334 /nfs/dbraw/zinc/31/93/34/1144319334.db2.gz QHLDSWDHJSFSFF-BXUZGUMPSA-N 1 3 315.255 2.412 20 0 DEADHO CN1CCC[C@@H]1C(=O)NCCC[N@H+](C)C/C=C/c1ccccc1 ZINC001264970543 1144614213 /nfs/dbraw/zinc/61/42/13/1144614213.db2.gz ZXFOTFNZKNBVSV-PMQIGOLDSA-N 1 3 315.461 2.232 20 0 DEADHO CN1CCC[C@@H]1C(=O)NCCC[N@@H+](C)C/C=C/c1ccccc1 ZINC001264970543 1144614216 /nfs/dbraw/zinc/61/42/16/1144614216.db2.gz ZXFOTFNZKNBVSV-PMQIGOLDSA-N 1 3 315.461 2.232 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CCCF ZINC001265094304 1144641853 /nfs/dbraw/zinc/64/18/53/1144641853.db2.gz CZZUTGCKSWGCFA-CABCVRRESA-N 1 3 301.450 2.045 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001265895613 1144751798 /nfs/dbraw/zinc/75/17/98/1144751798.db2.gz ODGJEFNFNBLXGL-DLBZAZTESA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001265923495 1144759231 /nfs/dbraw/zinc/75/92/31/1144759231.db2.gz RTKNUKINBWCMJG-OAHLLOKOSA-N 1 3 321.440 2.106 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001265923495 1144759235 /nfs/dbraw/zinc/75/92/35/1144759235.db2.gz RTKNUKINBWCMJG-OAHLLOKOSA-N 1 3 321.440 2.106 20 0 DEADHO CC[C@@H](C)C[NH2+]CC[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001280074409 1144831744 /nfs/dbraw/zinc/83/17/44/1144831744.db2.gz UGININPVVYRDFG-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@H](C(=O)N(C)CC(C)(C)C[NH2+]C/C=C\Cl)N(C)C ZINC001282337565 1145041005 /nfs/dbraw/zinc/04/10/05/1145041005.db2.gz MBLCSEJZFUINMP-QIAWRQBBSA-N 1 3 317.905 2.399 20 0 DEADHO CCCCC[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC001284292447 1145831426 /nfs/dbraw/zinc/83/14/26/1145831426.db2.gz SQHNXOUMDHJZBI-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO O=C(NC1CC1)c1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC001365355518 1145856762 /nfs/dbraw/zinc/85/67/62/1145856762.db2.gz SCZQWNFQJAJYBQ-OAHLLOKOSA-N 1 3 313.445 2.153 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001365846650 1146026435 /nfs/dbraw/zinc/02/64/35/1146026435.db2.gz FBJIIBHHXCJATC-FPCVCCKLSA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001365859830 1146031509 /nfs/dbraw/zinc/03/15/09/1146031509.db2.gz HEIRWYVVGBUILK-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO CN(CC(=O)N1CCCC[C@H]1C[N@H+](C)CCCF)C1CCC1 ZINC001365899273 1146050192 /nfs/dbraw/zinc/05/01/92/1146050192.db2.gz OLIOTOVEUSJSSP-INIZCTEOSA-N 1 3 313.461 2.143 20 0 DEADHO CN(CC(=O)N1CCCC[C@H]1C[N@@H+](C)CCCF)C1CCC1 ZINC001365899273 1146050198 /nfs/dbraw/zinc/05/01/98/1146050198.db2.gz OLIOTOVEUSJSSP-INIZCTEOSA-N 1 3 313.461 2.143 20 0 DEADHO CCC/C=C\CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001491827705 1146905221 /nfs/dbraw/zinc/90/52/21/1146905221.db2.gz MUQVIBXDHUXXPI-MBZYTVFJSA-N 1 3 307.482 2.265 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]([N@H+](C)CC2CC2)C1)CC(C)(C)C ZINC001491953368 1147016668 /nfs/dbraw/zinc/01/66/68/1147016668.db2.gz WUSIFVZPAHBBDX-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CC2)C1)CC(C)(C)C ZINC001491953368 1147016672 /nfs/dbraw/zinc/01/66/72/1147016672.db2.gz WUSIFVZPAHBBDX-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]([NH2+]CC1CCCC1)C1CC1)N(C)C ZINC001366072423 1147039964 /nfs/dbraw/zinc/03/99/64/1147039964.db2.gz XJZJLIUSJZLCPR-DLBZAZTESA-N 1 3 309.498 2.247 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2C)C1)N(C)C ZINC001366173928 1147092608 /nfs/dbraw/zinc/09/26/08/1147092608.db2.gz WDHUKJSJWZQPSD-KSZLIROESA-N 1 3 317.477 2.380 20 0 DEADHO CCCC[N@@H+]1CCC[C@@H]1CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001492164902 1147107405 /nfs/dbraw/zinc/10/74/05/1147107405.db2.gz IZMZJOYPXYLSKL-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO CCCC[N@H+]1CCC[C@@H]1CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001492164902 1147107410 /nfs/dbraw/zinc/10/74/10/1147107410.db2.gz IZMZJOYPXYLSKL-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[C@H]2CCC[N@@H+]2CCCF)C1 ZINC001492165534 1147109663 /nfs/dbraw/zinc/10/96/63/1147109663.db2.gz WVQSDYKBUDIHCS-HOTGVXAUSA-N 1 3 313.461 2.049 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[C@H]2CCC[N@H+]2CCCF)C1 ZINC001492165534 1147109670 /nfs/dbraw/zinc/10/96/70/1147109670.db2.gz WVQSDYKBUDIHCS-HOTGVXAUSA-N 1 3 313.461 2.049 20 0 DEADHO CC[C@@H](C)C[NH2+]C1CCC(NC(=O)Cc2nc[nH]c2C)CC1 ZINC001366250775 1147163906 /nfs/dbraw/zinc/16/39/06/1147163906.db2.gz ZMIYIJHHAVCKNA-LRVUVFPRSA-N 1 3 306.454 2.324 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCc2cccc(F)c2)C1 ZINC001366387898 1147247659 /nfs/dbraw/zinc/24/76/59/1147247659.db2.gz KZCZPXVBSIGAEK-KRWDZBQOSA-N 1 3 321.440 2.248 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2cccc(F)c2)C1 ZINC001366387898 1147247660 /nfs/dbraw/zinc/24/76/60/1147247660.db2.gz KZCZPXVBSIGAEK-KRWDZBQOSA-N 1 3 321.440 2.248 20 0 DEADHO CCCc1ccc(C[N@H+](C)CCNC(=O)[C@H]2CCCN2C)cc1 ZINC001366520342 1147325375 /nfs/dbraw/zinc/32/53/75/1147325375.db2.gz PKEPXFVSYZKJSA-GOSISDBHSA-N 1 3 317.477 2.281 20 0 DEADHO CCCc1ccc(C[N@@H+](C)CCNC(=O)[C@H]2CCCN2C)cc1 ZINC001366520342 1147325380 /nfs/dbraw/zinc/32/53/80/1147325380.db2.gz PKEPXFVSYZKJSA-GOSISDBHSA-N 1 3 317.477 2.281 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001366700858 1147494316 /nfs/dbraw/zinc/49/43/16/1147494316.db2.gz TWFMQMOLCOCIDU-INIZCTEOSA-N 1 3 311.514 2.449 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001366700858 1147494317 /nfs/dbraw/zinc/49/43/17/1147494317.db2.gz TWFMQMOLCOCIDU-INIZCTEOSA-N 1 3 311.514 2.449 20 0 DEADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@H+](CCC(F)(F)F)C1)N(C)C ZINC001366840664 1147590249 /nfs/dbraw/zinc/59/02/49/1147590249.db2.gz CWVQARPMELJPGD-OLZOCXBDSA-N 1 3 323.403 2.107 20 0 DEADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](CCC(F)(F)F)C1)N(C)C ZINC001366840664 1147590250 /nfs/dbraw/zinc/59/02/50/1147590250.db2.gz CWVQARPMELJPGD-OLZOCXBDSA-N 1 3 323.403 2.107 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H](CN(C)C/C=C/Cl)C1)[NH+](C)C ZINC001366876058 1147603037 /nfs/dbraw/zinc/60/30/37/1147603037.db2.gz GZGKBKBVPQGRPP-OSZGCLPASA-N 1 3 315.889 2.105 20 0 DEADHO CCN(C/C=C/Cl)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001316897485 1147626495 /nfs/dbraw/zinc/62/64/95/1147626495.db2.gz MZIBFQHATFZHAB-VQHVLOKHSA-N 1 3 315.889 2.442 20 0 DEADHO CC[C@H](C(=O)NCCC1CC[NH+](C/C=C\Cl)CC1)N(C)C ZINC001367210645 1147664502 /nfs/dbraw/zinc/66/45/02/1147664502.db2.gz UGJQWPZFQIGPDG-HMZQOCAUSA-N 1 3 315.889 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CC1CCC1 ZINC001367455473 1147696116 /nfs/dbraw/zinc/69/61/16/1147696116.db2.gz WYCYJWUZXBGXJK-RDJZCZTQSA-N 1 3 309.498 2.343 20 0 DEADHO CN(CC[N@H+](C)CCCc1ccccc1)C(=O)[C@@H]1CCCN1C ZINC001367512292 1147706433 /nfs/dbraw/zinc/70/64/33/1147706433.db2.gz VKFKDYXLCQEFNK-SFHVURJKSA-N 1 3 317.477 2.104 20 0 DEADHO CN(CC[N@@H+](C)CCCc1ccccc1)C(=O)[C@@H]1CCCN1C ZINC001367512292 1147706434 /nfs/dbraw/zinc/70/64/34/1147706434.db2.gz VKFKDYXLCQEFNK-SFHVURJKSA-N 1 3 317.477 2.104 20 0 DEADHO C[C@H](C[NH2+]Cc1ccc(CF)cc1)NC(=O)CN1CC[C@H](C)C1 ZINC001367695858 1147728335 /nfs/dbraw/zinc/72/83/35/1147728335.db2.gz UFYOIUMZEVDZMV-LSDHHAIUSA-N 1 3 321.440 2.092 20 0 DEADHO C[C@@H](C[N@H+](C)CCCC1CCC1)NC(=O)C1(N(C)C)CCC1 ZINC001367805773 1147749762 /nfs/dbraw/zinc/74/97/62/1147749762.db2.gz MRUZQFDLYWDQRX-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCC1CCC1)NC(=O)C1(N(C)C)CCC1 ZINC001367805773 1147749763 /nfs/dbraw/zinc/74/97/63/1147749763.db2.gz MRUZQFDLYWDQRX-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CC/C=C\CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001317842071 1147757056 /nfs/dbraw/zinc/75/70/56/1147757056.db2.gz KXQNZAXTGNSMTK-MGSINWNPSA-N 1 3 309.498 2.463 20 0 DEADHO CC/C=C\CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001317842071 1147757057 /nfs/dbraw/zinc/75/70/57/1147757057.db2.gz KXQNZAXTGNSMTK-MGSINWNPSA-N 1 3 309.498 2.463 20 0 DEADHO C[N@H+](CCCCCF)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001317860173 1147758428 /nfs/dbraw/zinc/75/84/28/1147758428.db2.gz BNJIQEXXKZCPBW-INIZCTEOSA-N 1 3 313.461 2.002 20 0 DEADHO C[N@@H+](CCCCCF)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001317860173 1147758430 /nfs/dbraw/zinc/75/84/30/1147758430.db2.gz BNJIQEXXKZCPBW-INIZCTEOSA-N 1 3 313.461 2.002 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[N@@H+](C)C[C@H](C)CC(C)C ZINC001367855277 1147761766 /nfs/dbraw/zinc/76/17/66/1147761766.db2.gz VSNHITUJIHBAFK-KGLIPLIRSA-N 1 3 308.470 2.379 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[N@H+](C)C[C@H](C)CC(C)C ZINC001367855277 1147761767 /nfs/dbraw/zinc/76/17/67/1147761767.db2.gz VSNHITUJIHBAFK-KGLIPLIRSA-N 1 3 308.470 2.379 20 0 DEADHO Cc1ccccc1[C@@H](C)N1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001367959818 1147804455 /nfs/dbraw/zinc/80/44/55/1147804455.db2.gz BDQPWDSCSHQTBZ-HZPDHXFCSA-N 1 3 303.450 2.198 20 0 DEADHO Cc1ccccc1[C@H](C)N1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001367959820 1147804495 /nfs/dbraw/zinc/80/44/95/1147804495.db2.gz BDQPWDSCSHQTBZ-JKSUJKDBSA-N 1 3 303.450 2.198 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001368040915 1147839092 /nfs/dbraw/zinc/83/90/92/1147839092.db2.gz BWXISDYJGDPYQZ-QZTJIDSGSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001368040915 1147839096 /nfs/dbraw/zinc/83/90/96/1147839096.db2.gz BWXISDYJGDPYQZ-QZTJIDSGSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CC2CCC2)C1)N(C)C ZINC001368188855 1148315742 /nfs/dbraw/zinc/31/57/42/1148315742.db2.gz HQKIHUDTWWXADT-WMZOPIPTSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(CO)c1 ZINC000278339055 214100743 /nfs/dbraw/zinc/10/07/43/214100743.db2.gz AGWRCHMDLGIISV-JKSUJKDBSA-N 1 3 306.450 2.330 20 0 DEADHO C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(CO)c1 ZINC000278339055 214100745 /nfs/dbraw/zinc/10/07/45/214100745.db2.gz AGWRCHMDLGIISV-JKSUJKDBSA-N 1 3 306.450 2.330 20 0 DEADHO C[C@H](NC(=O)N(C)C1CC[NH2+]CC1)[C@@H](c1ccccc1)N(C)C ZINC000418182049 299067945 /nfs/dbraw/zinc/06/79/45/299067945.db2.gz LXFYVPMMCAXFRO-YOEHRIQHSA-N 1 3 318.465 2.071 20 0 DEADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2ccsc2)cc1 ZINC000076894076 185050644 /nfs/dbraw/zinc/05/06/44/185050644.db2.gz STWSIRBCNGWHCM-UHFFFAOYSA-N 1 3 317.458 2.329 20 0 DEADHO CCOC(=O)c1ccc(CNCC2CC[NH+](C3CC3)CC2)o1 ZINC000278692124 214331164 /nfs/dbraw/zinc/33/11/64/214331164.db2.gz MWMYQHGTPCJPCP-UHFFFAOYSA-N 1 3 306.406 2.420 20 0 DEADHO CCc1cc(NC[C@H](O)C[NH+]2CCCCC2)c2ccccc2n1 ZINC000443674270 529505644 /nfs/dbraw/zinc/50/56/44/529505644.db2.gz JPTKQVIBBZQDAC-INIZCTEOSA-N 1 3 313.445 2.478 20 0 DEADHO CCC(CC)[C@@H](CNC(=O)N1CCCN(C)CC1)[NH+]1CCCC1 ZINC000339644974 282236395 /nfs/dbraw/zinc/23/63/95/282236395.db2.gz PRZUNBROULONJQ-QGZVFWFLSA-N 1 3 324.513 2.234 20 0 DEADHO CN(C)[C@H](CC(=O)N[C@@H]1CCC[C@H]1[NH+](C)C)c1ccccc1 ZINC000613663409 362175031 /nfs/dbraw/zinc/17/50/31/362175031.db2.gz ZNVAVWHEPRMFER-BRWVUGGUSA-N 1 3 303.450 2.278 20 0 DEADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3COC(C)(C)C3)cc2)CC1 ZINC000417874633 529774275 /nfs/dbraw/zinc/77/42/75/529774275.db2.gz PIXCJEWNPWTFJQ-SFHVURJKSA-N 1 3 317.477 2.091 20 0 DEADHO CN(C[C@@H]1CCCN1C)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000422604205 529949435 /nfs/dbraw/zinc/94/94/35/529949435.db2.gz BFAMRHVFFJCSSI-INIZCTEOSA-N 1 3 310.486 2.034 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N(CC)CCC[NH+](C)C ZINC000189708841 282316389 /nfs/dbraw/zinc/31/63/89/282316389.db2.gz XNIIWQLQZOGYTN-MRXNPFEDSA-N 1 3 312.502 2.234 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+](C)CC2CCOCC2)cc1 ZINC000093284344 539430912 /nfs/dbraw/zinc/43/09/12/539430912.db2.gz FCLBDTUDVLPJCH-UHFFFAOYSA-N 1 3 306.450 2.485 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+](C)CC2CCOCC2)cc1 ZINC000093284344 539430916 /nfs/dbraw/zinc/43/09/16/539430916.db2.gz FCLBDTUDVLPJCH-UHFFFAOYSA-N 1 3 306.450 2.485 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000615620190 362662029 /nfs/dbraw/zinc/66/20/29/362662029.db2.gz UCVQHBSBNKBPPI-LJQANCHMSA-N 1 3 315.461 2.306 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000615620190 362662033 /nfs/dbraw/zinc/66/20/33/362662033.db2.gz UCVQHBSBNKBPPI-LJQANCHMSA-N 1 3 315.461 2.306 20 0 DEADHO COC[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)OC ZINC000272693795 210100076 /nfs/dbraw/zinc/10/00/76/210100076.db2.gz QFOVZRCGLKKOCE-FCGDIQPGSA-N 1 3 318.461 2.148 20 0 DEADHO COC[C@H](CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)OC ZINC000272693795 210100081 /nfs/dbraw/zinc/10/00/81/210100081.db2.gz QFOVZRCGLKKOCE-FCGDIQPGSA-N 1 3 318.461 2.148 20 0 DEADHO COC[C@H](CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)OC ZINC000272693795 210100083 /nfs/dbraw/zinc/10/00/83/210100083.db2.gz QFOVZRCGLKKOCE-FCGDIQPGSA-N 1 3 318.461 2.148 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000154283172 539549548 /nfs/dbraw/zinc/54/95/48/539549548.db2.gz JZAOWZKOSOCCMB-SFHVURJKSA-N 1 3 305.441 2.430 20 0 DEADHO CC(C)CCN(C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000157693390 539572926 /nfs/dbraw/zinc/57/29/26/539572926.db2.gz HISSCPKHOKZNAR-QGZVFWFLSA-N 1 3 305.466 2.383 20 0 DEADHO CN(C)CCOc1ccccc1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166394644 539609071 /nfs/dbraw/zinc/60/90/71/539609071.db2.gz FYGNDRQQSYNGHG-ZWKOTPCHSA-N 1 3 317.477 2.343 20 0 DEADHO CN(C)CCOc1ccccc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166394644 539609074 /nfs/dbraw/zinc/60/90/74/539609074.db2.gz FYGNDRQQSYNGHG-ZWKOTPCHSA-N 1 3 317.477 2.343 20 0 DEADHO CC(C)(CNC(=O)CC1([NH3+])CCC1)N1CCc2ccccc2C1 ZINC000236641152 539737819 /nfs/dbraw/zinc/73/78/19/539737819.db2.gz NZWMSMIRXPYDMS-UHFFFAOYSA-N 1 3 315.461 2.211 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000236976955 539741577 /nfs/dbraw/zinc/74/15/77/539741577.db2.gz NXQFNBMKTQFQPS-CJNGLKHVSA-N 1 3 307.438 2.329 20 0 DEADHO [NH3+][C@H]1CCC[C@H](NC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000275839807 539805126 /nfs/dbraw/zinc/80/51/26/539805126.db2.gz ZNGHOVHSICOPNQ-ROUUACIJSA-N 1 3 315.461 2.285 20 0 DEADHO C[C@@H]1CCN[C@@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000309744365 539878182 /nfs/dbraw/zinc/87/81/82/539878182.db2.gz SYVIUSVBVPAVIC-BPQIPLTHSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@@H]1CCN[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000309744365 539878184 /nfs/dbraw/zinc/87/81/84/539878184.db2.gz SYVIUSVBVPAVIC-BPQIPLTHSA-N 1 3 315.461 2.013 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000449096769 535189634 /nfs/dbraw/zinc/18/96/34/535189634.db2.gz AHICIGHQJHKOQJ-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO NC1(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)CCCCC1 ZINC000333608640 539964898 /nfs/dbraw/zinc/96/48/98/539964898.db2.gz QGOHEAOEJIZOFS-UHFFFAOYSA-N 1 3 308.451 2.210 20 0 DEADHO C[C@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000174411363 198332104 /nfs/dbraw/zinc/33/21/04/198332104.db2.gz FCEPJQFGVUXFGV-YOEHRIQHSA-N 1 3 303.450 2.256 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCCN1CCC[C@@H](C)C1 ZINC000357609664 535231333 /nfs/dbraw/zinc/23/13/33/535231333.db2.gz QSGGJEGAQFKUBC-HZPDHXFCSA-N 1 3 312.502 2.138 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCCN1CCC[C@@H](C)C1 ZINC000357609664 535231338 /nfs/dbraw/zinc/23/13/38/535231338.db2.gz QSGGJEGAQFKUBC-HZPDHXFCSA-N 1 3 312.502 2.138 20 0 DEADHO CCCN(C(=O)N[C@H](C)CN1CCC[C@H](C)C1)C1CC[NH2+]CC1 ZINC000417324990 283010505 /nfs/dbraw/zinc/01/05/05/283010505.db2.gz JPAADXBBLHJIHL-JKSUJKDBSA-N 1 3 324.513 2.280 20 0 DEADHO CC[C@@H](CNC(=[NH2+])NCCc1ccc(OC)cc1)N1CCCC1 ZINC000066245292 354705398 /nfs/dbraw/zinc/70/53/98/354705398.db2.gz AYJJOCLJDJNDCF-INIZCTEOSA-N 1 3 318.465 2.226 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000382715747 540123864 /nfs/dbraw/zinc/12/38/64/540123864.db2.gz CLZJWAWJUZVPAC-KBAYOESNSA-N 1 3 315.461 2.237 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CC(C)(C)[NH3+] ZINC000382686964 540124012 /nfs/dbraw/zinc/12/40/12/540124012.db2.gz FVNBWVKAOOLBCD-HNNXBMFYSA-N 1 3 303.450 2.237 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N[C@@H]1CCN(C2CC2)C1)C(C)C ZINC000080694274 355381272 /nfs/dbraw/zinc/38/12/72/355381272.db2.gz VHOFQLOHGYXPMN-OAHLLOKOSA-N 1 3 310.486 2.031 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1ccco1 ZINC000418174407 540170137 /nfs/dbraw/zinc/17/01/37/540170137.db2.gz ZXXSCJUFCMOANS-BYNSBNAKSA-N 1 3 322.453 2.278 20 0 DEADHO COc1cc(OC)cc(OCCN[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000090453130 355562200 /nfs/dbraw/zinc/56/22/00/355562200.db2.gz IZFFADVHBYZBSR-GUYCJALGSA-N 1 3 308.422 2.012 20 0 DEADHO COc1cc(OC)cc(OCCN[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000090453130 355562203 /nfs/dbraw/zinc/56/22/03/355562203.db2.gz IZFFADVHBYZBSR-GUYCJALGSA-N 1 3 308.422 2.012 20 0 DEADHO CC1CCN(CCNC(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000236704502 356290911 /nfs/dbraw/zinc/29/09/11/356290911.db2.gz BDPFKBRXBNNHLD-KRWDZBQOSA-N 1 3 303.450 2.315 20 0 DEADHO O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCCC[NH2+]1 ZINC000303089354 356392645 /nfs/dbraw/zinc/39/26/45/356392645.db2.gz MHDLBJJEYBRRHI-SFHVURJKSA-N 1 3 315.461 2.299 20 0 DEADHO Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000320940088 356447918 /nfs/dbraw/zinc/44/79/18/356447918.db2.gz GXFCVMQLCLFWKC-WMZOPIPTSA-N 1 3 318.461 2.117 20 0 DEADHO Cc1cc(C)cc(OC[C@@H](O)CNC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000320940088 356447919 /nfs/dbraw/zinc/44/79/19/356447919.db2.gz GXFCVMQLCLFWKC-WMZOPIPTSA-N 1 3 318.461 2.117 20 0 DEADHO Cc1cc(C)cc(OC[C@@H](O)CNC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000320940088 356447920 /nfs/dbraw/zinc/44/79/20/356447920.db2.gz GXFCVMQLCLFWKC-WMZOPIPTSA-N 1 3 318.461 2.117 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCCN1CCC[C@@H](C)C1 ZINC000357610259 535306773 /nfs/dbraw/zinc/30/67/73/535306773.db2.gz SMYHJGNIHQCNST-HZPDHXFCSA-N 1 3 312.502 2.138 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCCN1CCC[C@@H](C)C1 ZINC000357610259 535306783 /nfs/dbraw/zinc/30/67/83/535306783.db2.gz SMYHJGNIHQCNST-HZPDHXFCSA-N 1 3 312.502 2.138 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)C[C@H](N)c2ccccc2)CC1 ZINC000236851464 202037476 /nfs/dbraw/zinc/03/74/76/202037476.db2.gz MZBLROBQYYHOEO-KRWDZBQOSA-N 1 3 303.450 2.315 20 0 DEADHO CCN(CC)[C@H](CNC(=O)C1([NH3+])CCCC1)c1ccccc1 ZINC000236873805 202046577 /nfs/dbraw/zinc/04/65/77/202046577.db2.gz RCQREVSQEHJEQU-MRXNPFEDSA-N 1 3 303.450 2.457 20 0 DEADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@H](N)CCSC)c1 ZINC000236905910 202062580 /nfs/dbraw/zinc/06/25/80/202062580.db2.gz JGUKYRJNMDYCNX-MRXNPFEDSA-N 1 3 323.506 2.225 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000382728359 356677463 /nfs/dbraw/zinc/67/74/63/356677463.db2.gz XECFGVYSVNQKCY-FUHWJXTLSA-N 1 3 315.461 2.252 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000379667629 356668377 /nfs/dbraw/zinc/66/83/77/356668377.db2.gz BSWDPLZRQNVQBW-XYVMCAHJSA-N 1 3 315.461 2.011 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)CC[NH2+]C2CC2)CCN1Cc1ccccc1 ZINC000379670599 356668421 /nfs/dbraw/zinc/66/84/21/356668421.db2.gz JBPMMFAHASYCHI-CRAIPNDOSA-N 1 3 315.461 2.298 20 0 DEADHO C[NH+](C)CCCOc1ccc(CNC(=O)[C@@H](N)C(C)(C)C)cc1 ZINC000237102881 202153275 /nfs/dbraw/zinc/15/32/75/202153275.db2.gz SWGKUDXPLLPITI-MRXNPFEDSA-N 1 3 321.465 2.007 20 0 DEADHO COC(=O)c1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1F ZINC000388785890 356706629 /nfs/dbraw/zinc/70/66/29/356706629.db2.gz WUGYCMPFYRZOEV-ZDUSSCGKSA-N 1 3 306.381 2.186 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@]2(C)CCCC[NH2+]2)N(C)C)cc1 ZINC000237145604 202166090 /nfs/dbraw/zinc/16/60/90/202166090.db2.gz ILTKRVVEXXVFNR-FUHWJXTLSA-N 1 3 303.450 2.246 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H]2CC23CC[NH2+]CC3)N(C)C)cc1 ZINC000237147220 202167279 /nfs/dbraw/zinc/16/72/79/202167279.db2.gz QDRVCFIGAKEISI-SJORKVTESA-N 1 3 315.461 2.104 20 0 DEADHO CN1CCC([NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000237166503 202174115 /nfs/dbraw/zinc/17/41/15/202174115.db2.gz FKKYVDXDPLRFQK-UHFFFAOYSA-N 1 3 301.478 2.377 20 0 DEADHO C[NH2+]CCCC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000237177964 202177150 /nfs/dbraw/zinc/17/71/50/202177150.db2.gz ZKJBFZGZFBJXBJ-QGZVFWFLSA-N 1 3 303.450 2.157 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](c3cccnc3)C2)CC1 ZINC000578885526 356887627 /nfs/dbraw/zinc/88/76/27/356887627.db2.gz DBTKXHWPHMXPEV-IBGZPJMESA-N 1 3 316.493 2.287 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](c3cccnc3)C2)CC1 ZINC000578885526 356887631 /nfs/dbraw/zinc/88/76/31/356887631.db2.gz DBTKXHWPHMXPEV-IBGZPJMESA-N 1 3 316.493 2.287 20 0 DEADHO Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@H](C)C1=CCN(C)CC1 ZINC000578742060 356865262 /nfs/dbraw/zinc/86/52/62/356865262.db2.gz WSJLCVHTIIDARG-AEFFLSMTSA-N 1 3 318.461 2.283 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000579471314 356979662 /nfs/dbraw/zinc/97/96/62/356979662.db2.gz SUPQAFQFHAULEO-KBPBESRZSA-N 1 3 324.444 2.025 20 0 DEADHO CN(C[C@H](O)CNc1cccc(CC[N@H+](C)C2CC2)c1)C1CC1 ZINC000579944547 357055327 /nfs/dbraw/zinc/05/53/27/357055327.db2.gz ZBXSQKPJSHYMCA-LJQANCHMSA-N 1 3 317.477 2.190 20 0 DEADHO CN(C[C@H](O)CNc1cccc(CC[N@@H+](C)C2CC2)c1)C1CC1 ZINC000579944547 357055330 /nfs/dbraw/zinc/05/53/30/357055330.db2.gz ZBXSQKPJSHYMCA-LJQANCHMSA-N 1 3 317.477 2.190 20 0 DEADHO Cn1cc([C@H](N[C@@H]2CC[C@@H](C[NH3+])C2)c2cccc(F)c2)cn1 ZINC000579825505 357036296 /nfs/dbraw/zinc/03/62/96/357036296.db2.gz IWIQMEJDBLEIKY-CSMYWGQOSA-N 1 3 302.397 2.366 20 0 DEADHO CCCC[N@H+](C)CC1CCN(CCn2ccccc2=O)CC1 ZINC000586843468 357377016 /nfs/dbraw/zinc/37/70/16/357377016.db2.gz GVRBPAMJGIYJCI-UHFFFAOYSA-N 1 3 305.466 2.292 20 0 DEADHO CCCC[N@@H+](C)CC1CCN(CCn2ccccc2=O)CC1 ZINC000586843468 357377018 /nfs/dbraw/zinc/37/70/18/357377018.db2.gz GVRBPAMJGIYJCI-UHFFFAOYSA-N 1 3 305.466 2.292 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)N[C@H](C)CCC[NH3+] ZINC000418709525 283254469 /nfs/dbraw/zinc/25/44/69/283254469.db2.gz RJTGFCYODGYKMS-MRXNPFEDSA-N 1 3 312.502 2.411 20 0 DEADHO O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CCCCN1 ZINC000178670638 198908879 /nfs/dbraw/zinc/90/88/79/198908879.db2.gz DVMVWSQIYVUVKO-KRWDZBQOSA-N 1 3 301.434 2.041 20 0 DEADHO C[C@@H]([NH2+]C[C@H](C)N)c1ccc(I)cc1 ZINC000591580601 357738104 /nfs/dbraw/zinc/73/81/04/357738104.db2.gz AJYNTQOBYQOSOI-DTWKUNHWSA-N 1 3 304.175 2.289 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)N(C)C)cc1 ZINC000648752577 540282334 /nfs/dbraw/zinc/28/23/34/540282334.db2.gz BJSGDQOTFJSCNW-DJIMGWMZSA-N 1 3 303.450 2.054 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)N(C)C)cc1 ZINC000648752577 540282335 /nfs/dbraw/zinc/28/23/35/540282335.db2.gz BJSGDQOTFJSCNW-DJIMGWMZSA-N 1 3 303.450 2.054 20 0 DEADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000660838688 540312973 /nfs/dbraw/zinc/31/29/73/540312973.db2.gz KRPUZDCASOVHSW-BZUAXINKSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000660838688 540312978 /nfs/dbraw/zinc/31/29/78/540312978.db2.gz KRPUZDCASOVHSW-BZUAXINKSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)/C=C\CN(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000492090794 283308534 /nfs/dbraw/zinc/30/85/34/283308534.db2.gz RDDCBKNEOZRMMK-MVKGYNNESA-N 1 3 315.461 2.274 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)/C=C\CN(C)C)CC[N@H+]1Cc1ccccc1 ZINC000492090794 283308535 /nfs/dbraw/zinc/30/85/35/283308535.db2.gz RDDCBKNEOZRMMK-MVKGYNNESA-N 1 3 315.461 2.274 20 0 DEADHO C[C@@H](CCNC(=O)NCCCN(C)Cc1ccccc1)[NH+](C)C ZINC000663507488 540338958 /nfs/dbraw/zinc/33/89/58/540338958.db2.gz XOOPNJBXYAZVTF-INIZCTEOSA-N 1 3 320.481 2.148 20 0 DEADHO CCCN1CC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000666925670 540364933 /nfs/dbraw/zinc/36/49/33/540364933.db2.gz BERYIFWAALZQRF-IRXDYDNUSA-N 1 3 322.497 2.131 20 0 DEADHO C[C@@H](NC(C)(C)CNC(=O)C1CC[NH2+]CC1)c1ccccc1 ZINC000237383516 202249756 /nfs/dbraw/zinc/24/97/56/202249756.db2.gz BZDBZTBTIQRPKD-CQSZACIVSA-N 1 3 303.450 2.232 20 0 DEADHO CCN(CC[NH3+])C(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000627049419 366421747 /nfs/dbraw/zinc/42/17/47/366421747.db2.gz UHALCPMFRVBEPU-UHFFFAOYSA-N 1 3 318.465 2.031 20 0 DEADHO CCOC(=O)N1CCC([NH2+][C@H](C)c2ccc(CN)nc2C)CC1 ZINC000496349327 283405337 /nfs/dbraw/zinc/40/53/37/283405337.db2.gz UJXDXAFWUJRDAP-GFCCVEGCSA-N 1 3 320.437 2.120 20 0 DEADHO C[NH+]1CCC(N(CCO)Cc2cc3ccncc3s2)CC1 ZINC000667464502 540458686 /nfs/dbraw/zinc/45/86/86/540458686.db2.gz STMPYFCBWRBMQE-UHFFFAOYSA-N 1 3 305.447 2.185 20 0 DEADHO O=C(Nc1cccc2c1CCNC2)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000667754026 540521136 /nfs/dbraw/zinc/52/11/36/540521136.db2.gz SJUDNOZOHGBBBG-LSDHHAIUSA-N 1 3 314.433 2.081 20 0 DEADHO O=C(Nc1cccc2c1CCNC2)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000667754026 540521137 /nfs/dbraw/zinc/52/11/37/540521137.db2.gz SJUDNOZOHGBBBG-LSDHHAIUSA-N 1 3 314.433 2.081 20 0 DEADHO Cc1nc(C(C)C)oc1CN(C)CCC[NH+]1CCN(C)CC1 ZINC000428303340 237126683 /nfs/dbraw/zinc/12/66/83/237126683.db2.gz SLJLHEZIOQHRQL-UHFFFAOYSA-N 1 3 308.470 2.176 20 0 DEADHO CN(C)CCN(C(=O)Nc1cccc(C[NH3+])c1)C1CCCC1 ZINC000667726262 540515133 /nfs/dbraw/zinc/51/51/33/540515133.db2.gz PSYDLCDLHJTPSN-UHFFFAOYSA-N 1 3 304.438 2.483 20 0 DEADHO NC1(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CCC1 ZINC000449315713 240351751 /nfs/dbraw/zinc/35/17/51/240351751.db2.gz JHWCGSLILITQBR-UHFFFAOYSA-N 1 3 301.434 2.170 20 0 DEADHO CN1CC[C@]2(CC[N@H+](Cc3ccc(O[C@H]4CCOC4)cc3)C2)C1 ZINC000668188806 540610587 /nfs/dbraw/zinc/61/05/87/540610587.db2.gz PEKDFTXYVJSHMU-OALUTQOASA-N 1 3 316.445 2.382 20 0 DEADHO CN1CC[C@]2(CC[N@@H+](Cc3ccc(O[C@H]4CCOC4)cc3)C2)C1 ZINC000668188806 540610590 /nfs/dbraw/zinc/61/05/90/540610590.db2.gz PEKDFTXYVJSHMU-OALUTQOASA-N 1 3 316.445 2.382 20 0 DEADHO C[C@@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1ccc(OCCN(C)C)cc1 ZINC000187682693 200144091 /nfs/dbraw/zinc/14/40/91/200144091.db2.gz PPEOXNXUCFXSCU-XYPHTWIQSA-N 1 3 306.450 2.437 20 0 DEADHO C[C@@H](CNC(=O)[C@H]1CC12CC[NH2+]CC2)N(C)Cc1ccccc1 ZINC000237593618 202297561 /nfs/dbraw/zinc/29/75/61/202297561.db2.gz QGTBHCPZDCFUGR-DOTOQJQBSA-N 1 3 315.461 2.013 20 0 DEADHO CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)C1 ZINC000601274062 359990129 /nfs/dbraw/zinc/99/01/29/359990129.db2.gz HDHBUIWNLLYBHH-ZACQAIPSSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)C1 ZINC000601274061 359990608 /nfs/dbraw/zinc/99/06/08/359990608.db2.gz HDHBUIWNLLYBHH-IXDOHACOSA-N 1 3 324.513 2.279 20 0 DEADHO COC(=O)c1ccc(CNCCCC[NH+]2CCC(C)CC2)n1C ZINC000602007091 360235421 /nfs/dbraw/zinc/23/54/21/360235421.db2.gz VKCSSOIMLMEONX-UHFFFAOYSA-N 1 3 321.465 2.413 20 0 DEADHO [NH3+]CC[C@@H]1CCCN(CC(=O)N[C@H](c2ccccc2)C2CC2)C1 ZINC000443057140 238099946 /nfs/dbraw/zinc/09/99/46/238099946.db2.gz FQUVMTSDYJZXBT-HNAYVOBHSA-N 1 3 315.461 2.315 20 0 DEADHO Cc1ccccc1CNC(=O)[C@H](C)N1CCC[C@H](CC[NH3+])C1 ZINC000443060616 238100776 /nfs/dbraw/zinc/10/07/76/238100776.db2.gz PIKXYWLEPZGUKT-JKSUJKDBSA-N 1 3 303.450 2.061 20 0 DEADHO [NH3+][C@H](CCC(=O)NCc1ccc2c(c1)CNC2)c1ccccc1 ZINC000669514644 540849424 /nfs/dbraw/zinc/84/94/24/540849424.db2.gz WILIQFCRGJXPLK-GOSISDBHSA-N 1 3 309.413 2.386 20 0 DEADHO CC(C)C[C@@H](N)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000669517004 540849978 /nfs/dbraw/zinc/84/99/78/540849978.db2.gz PIZPVEJIXPRFRP-GFCCVEGCSA-N 1 3 303.328 2.476 20 0 DEADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N[C@H]1CCC[NH2+]C1)N(C)C ZINC000669583449 540869356 /nfs/dbraw/zinc/86/93/56/540869356.db2.gz CWNGARLUOVXXOG-HLLBOEOZSA-N 1 3 318.465 2.037 20 0 DEADHO C[C@H](NC(=O)N[C@H]1CCC[NH2+]CC1)[C@H](c1ccccc1)N(C)C ZINC000669583340 540868813 /nfs/dbraw/zinc/86/88/13/540868813.db2.gz KNRFBQZJYMYZHB-BHYGNILZSA-N 1 3 318.465 2.119 20 0 DEADHO Cc1ncc([C@@H](C)N(C)CC2CC[NH+](C[C@H](C)O)CC2)c(C)n1 ZINC000682070097 542259232 /nfs/dbraw/zinc/25/92/32/542259232.db2.gz JPIBUYKYBBEJHG-DZGCQCFKSA-N 1 3 320.481 2.179 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CC2CC2)C1 ZINC001120440973 781939508 /nfs/dbraw/zinc/93/95/08/781939508.db2.gz VXCDUAZGLNYUMG-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CC2CC2)C1 ZINC001120440973 781939514 /nfs/dbraw/zinc/93/95/14/781939514.db2.gz VXCDUAZGLNYUMG-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@H](N2CCCC2)C1 ZINC000363597045 296035700 /nfs/dbraw/zinc/03/57/00/296035700.db2.gz JSRFTLDCGSLIAN-AEFFLSMTSA-N 1 3 319.493 2.338 20 0 DEADHO O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CC[C@H](N2CCCC2)C1 ZINC000363597045 296035704 /nfs/dbraw/zinc/03/57/04/296035704.db2.gz JSRFTLDCGSLIAN-AEFFLSMTSA-N 1 3 319.493 2.338 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000194009668 201162359 /nfs/dbraw/zinc/16/23/59/201162359.db2.gz ZNJXYOFXFNGFEK-IRXDYDNUSA-N 1 3 303.450 2.328 20 0 DEADHO C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000674878635 541268428 /nfs/dbraw/zinc/26/84/28/541268428.db2.gz MNUCCMVOMUUWSP-QRQLOZEOSA-N 1 3 301.478 2.438 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000675199969 541301885 /nfs/dbraw/zinc/30/18/85/541301885.db2.gz ORCLTUKHZUGMQG-IAGOWNOFSA-N 1 3 324.513 2.138 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000675199969 541301888 /nfs/dbraw/zinc/30/18/88/541301888.db2.gz ORCLTUKHZUGMQG-IAGOWNOFSA-N 1 3 324.513 2.138 20 0 DEADHO CCN(CC)CC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000620190148 363986940 /nfs/dbraw/zinc/98/69/40/363986940.db2.gz AFFHCTJQPSWFQN-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO C[C@H]1[C@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CCCN1C ZINC000345758725 291307904 /nfs/dbraw/zinc/30/79/04/291307904.db2.gz UAXPJTXCLRUEOU-DOTOQJQBSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H]1[C@H](NC(=O)N2CCC[N@H+](C3CCCC3)CC2)CCCN1C ZINC000345758725 291307905 /nfs/dbraw/zinc/30/79/05/291307905.db2.gz UAXPJTXCLRUEOU-DOTOQJQBSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H]1[C@H](NC(=O)NCCCCC[NH+]2CCCC2)CCCN1C ZINC000454797569 291308516 /nfs/dbraw/zinc/30/85/16/291308516.db2.gz XWYGBSXJDRVMIT-JKSUJKDBSA-N 1 3 310.486 2.034 20 0 DEADHO Cn1c(=O)ccc2c1CCC[C@@H]2N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623560750 365078430 /nfs/dbraw/zinc/07/84/30/365078430.db2.gz QQFLHIQRMAEHRN-HIFRSBDPSA-N 1 3 303.450 2.225 20 0 DEADHO Cn1c(=O)ccc2c1CCC[C@@H]2N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623560750 365078433 /nfs/dbraw/zinc/07/84/33/365078433.db2.gz QQFLHIQRMAEHRN-HIFRSBDPSA-N 1 3 303.450 2.225 20 0 DEADHO CN1CCCC[C@H](C[NH2+]C2CCN(c3ccccn3)CC2)C1 ZINC000624120937 365295975 /nfs/dbraw/zinc/29/59/75/365295975.db2.gz KKUMCZHDKLKFOD-MRXNPFEDSA-N 1 3 302.466 2.372 20 0 DEADHO c1c(CN[C@H]2CCC[C@H]2c2ccccc2)nnn1[C@H]1CC[NH2+]C1 ZINC000629404510 367191641 /nfs/dbraw/zinc/19/16/41/367191641.db2.gz GBURTXUJTZBGRT-BZSNNMDCSA-N 1 3 311.433 2.238 20 0 DEADHO CC(C)(C)c1csc(CC[NH2+]C[C@@H](O)CN2CCCC2)n1 ZINC000629559131 367252051 /nfs/dbraw/zinc/25/20/51/367252051.db2.gz CQMLNMOIRKIXGI-CYBMUJFWSA-N 1 3 311.495 2.029 20 0 DEADHO O[C@H](CNCCCc1c[nH]c2ccccc12)C[NH+]1CCCC1 ZINC000629561734 367252434 /nfs/dbraw/zinc/25/24/34/367252434.db2.gz YVWYSLRHYRJPTD-MRXNPFEDSA-N 1 3 301.434 2.147 20 0 DEADHO CC[C@@H](C[NH2+]C[C@H](O)CN1CCCC1)Oc1cccc(C)c1 ZINC000629563548 367253126 /nfs/dbraw/zinc/25/31/26/367253126.db2.gz GEGAAWLFECKVCL-IRXDYDNUSA-N 1 3 306.450 2.199 20 0 DEADHO COc1ccc(C2(CNC[C@@H](O)C[NH+]3CCCC3)CCC2)cc1 ZINC000629573135 367256486 /nfs/dbraw/zinc/25/64/86/367256486.db2.gz HJVPYDJQVXJZOJ-QGZVFWFLSA-N 1 3 318.461 2.163 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC[C@@H](O)C[NH+]1CCCC1)N(C)C ZINC000629577763 367257645 /nfs/dbraw/zinc/25/76/45/367257645.db2.gz UEWIDCKCCRISNP-LMMKCTJWSA-N 1 3 319.493 2.033 20 0 DEADHO Cc1cc(Br)ccc1CN(C)CCOCC[NH3+] ZINC000629581011 367260322 /nfs/dbraw/zinc/26/03/22/367260322.db2.gz JWIODBZEHLTINM-UHFFFAOYSA-N 1 3 301.228 2.165 20 0 DEADHO CC1(C)[C@@H](CNC[C@H](O)C[NH+]2CCCC2)[C@@H]1c1ccccc1 ZINC000629580030 367260961 /nfs/dbraw/zinc/26/09/61/367260961.db2.gz KUCLPKNGUBDASI-BZSNNMDCSA-N 1 3 302.462 2.473 20 0 DEADHO CN(CCOCC[NH3+])Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000629661110 367291834 /nfs/dbraw/zinc/29/18/34/367291834.db2.gz BGRQTNOCFJGOSG-UHFFFAOYSA-N 1 3 308.813 2.137 20 0 DEADHO CCc1cc(N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc[nH+]1 ZINC000450406977 241794676 /nfs/dbraw/zinc/79/46/76/241794676.db2.gz HGWXUAKQMLDTLE-CRAIPNDOSA-N 1 3 302.466 2.106 20 0 DEADHO CCN(CC[C@H](C)[N@H+](CC)C[C@@H]1CCOC1)C[C@@H]1CCOC1 ZINC000677887018 541642493 /nfs/dbraw/zinc/64/24/93/541642493.db2.gz YNEVTSVJBJFYAE-BZSNNMDCSA-N 1 3 312.498 2.482 20 0 DEADHO CCN(CC[C@H](C)[N@@H+](CC)C[C@@H]1CCOC1)C[C@@H]1CCOC1 ZINC000677887018 541642494 /nfs/dbraw/zinc/64/24/94/541642494.db2.gz YNEVTSVJBJFYAE-BZSNNMDCSA-N 1 3 312.498 2.482 20 0 DEADHO C[C@]1(O)CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000678295411 541709241 /nfs/dbraw/zinc/70/92/41/541709241.db2.gz ZAOLKGKKYNOZSM-SFHVURJKSA-N 1 3 304.434 2.118 20 0 DEADHO NC[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccc2ccccc2c1 ZINC000261882866 203142969 /nfs/dbraw/zinc/14/29/69/203142969.db2.gz UIRJTNYTNKXLBE-KURKYZTESA-N 1 3 311.429 2.331 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)CC[C@H]2CC[NH2+]C2)CN1Cc1ccccc1 ZINC000261914890 203150812 /nfs/dbraw/zinc/15/08/12/203150812.db2.gz WYCBTDZGHWZRMS-SOLBZPMBSA-N 1 3 315.461 2.155 20 0 DEADHO CCCN1CCC([NH2+]CCn2c3ccccc3[nH]c2=O)CC1 ZINC000678772079 541762896 /nfs/dbraw/zinc/76/28/96/541762896.db2.gz DRVUBTIYMMKWCG-UHFFFAOYSA-N 1 3 302.422 2.206 20 0 DEADHO CN(C)CCOc1ccc(NC(=O)CC[C@@H]2CCC[NH2+]2)cc1 ZINC000262477457 203304062 /nfs/dbraw/zinc/30/40/62/203304062.db2.gz JRKGMOVDHJKJDQ-AWEZNQCLSA-N 1 3 305.422 2.098 20 0 DEADHO C[C@@H](C(=O)Nc1ccccc1NC1CCN(C)CC1)[C@H](C)[NH3+] ZINC000262546821 203325751 /nfs/dbraw/zinc/32/57/51/203325751.db2.gz VNUNUVPNZXFMHY-OLZOCXBDSA-N 1 3 304.438 2.115 20 0 DEADHO CCC[C@@](C)(N)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000262707937 203388947 /nfs/dbraw/zinc/38/89/47/203388947.db2.gz NWJMPQGGWQXPRW-PKOBYXMFSA-N 1 3 317.477 2.185 20 0 DEADHO CCC[C@@](C)(N)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000262707937 203388948 /nfs/dbraw/zinc/38/89/48/203388948.db2.gz NWJMPQGGWQXPRW-PKOBYXMFSA-N 1 3 317.477 2.185 20 0 DEADHO C[C@H]1C[C@H](Nc2ccc(CN3CCN(C)CC3)cc2)CC[N@@H+]1C ZINC000679004438 541795297 /nfs/dbraw/zinc/79/52/97/541795297.db2.gz LAYCITBJKWSAAS-QFBILLFUSA-N 1 3 316.493 2.329 20 0 DEADHO C[C@H]1C[C@H](Nc2ccc(CN3CCN(C)CC3)cc2)CC[N@H+]1C ZINC000679004438 541795302 /nfs/dbraw/zinc/79/53/02/541795302.db2.gz LAYCITBJKWSAAS-QFBILLFUSA-N 1 3 316.493 2.329 20 0 DEADHO C[C@H]([NH2+]C[C@H](O)C1CCC1)c1ccc(OCCN(C)C)cc1 ZINC000453389519 245114984 /nfs/dbraw/zinc/11/49/84/245114984.db2.gz RKXDGMINEWHPKO-KSSFIOAISA-N 1 3 306.450 2.439 20 0 DEADHO C[C@H]([NH2+]CCC1(CO)CC1)c1cccc(OCCN(C)C)c1 ZINC000453371952 245101535 /nfs/dbraw/zinc/10/15/35/245101535.db2.gz YOYDJQZHFAKEGM-HNNXBMFYSA-N 1 3 306.450 2.440 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CC[C@@H](C)O2)CC1 ZINC000453636727 245231447 /nfs/dbraw/zinc/23/14/47/245231447.db2.gz XHDYEEOFIYRKQE-AEFFLSMTSA-N 1 3 317.477 2.486 20 0 DEADHO C[C@@H](CCCCO)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000679333892 541840781 /nfs/dbraw/zinc/84/07/81/541840781.db2.gz VKQDWBZTRNOTFC-KRWDZBQOSA-N 1 3 319.493 2.075 20 0 DEADHO Cc1cc(N2CCC(N3CCN(C(C)C)CC3)CC2)cc[nH+]1 ZINC000274894746 212017416 /nfs/dbraw/zinc/01/74/16/212017416.db2.gz KBHMZQXFTZBACY-UHFFFAOYSA-N 1 3 302.466 2.385 20 0 DEADHO CC[N@H+](C)CCNC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000441903821 284333618 /nfs/dbraw/zinc/33/36/18/284333618.db2.gz KPVPCBNYXCVQEP-UHFFFAOYSA-N 1 3 324.513 2.284 20 0 DEADHO CC[N@@H+](C)CCNC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000441903821 284333622 /nfs/dbraw/zinc/33/36/22/284333622.db2.gz KPVPCBNYXCVQEP-UHFFFAOYSA-N 1 3 324.513 2.284 20 0 DEADHO CCc1noc(C)c1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240767 284383525 /nfs/dbraw/zinc/38/35/25/284383525.db2.gz NKFSXZSVYQKVEA-HNNXBMFYSA-N 1 3 307.438 2.136 20 0 DEADHO C[C@H](NC(=O)N[C@H]1CCCN(C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000679687123 541900274 /nfs/dbraw/zinc/90/02/74/541900274.db2.gz XGNIPORZYYPFKH-XHSDSOJGSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](NC(=O)N[C@H]1CCCN(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000679687123 541900278 /nfs/dbraw/zinc/90/02/78/541900278.db2.gz XGNIPORZYYPFKH-XHSDSOJGSA-N 1 3 322.497 2.033 20 0 DEADHO C[N@H+](CCCCNC(=O)NC[C@H]1CCCCN1C1CC1)C1CC1 ZINC000454854422 246201292 /nfs/dbraw/zinc/20/12/92/246201292.db2.gz BUAHCKKTPDQFCH-QGZVFWFLSA-N 1 3 322.497 2.177 20 0 DEADHO C[N@@H+](CCCCNC(=O)NC[C@H]1CCCCN1C1CC1)C1CC1 ZINC000454854422 246201300 /nfs/dbraw/zinc/20/13/00/246201300.db2.gz BUAHCKKTPDQFCH-QGZVFWFLSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H]1CN(CC2CC[NH+](CCC3(O)CCC3)CC2)C[C@@H](C)O1 ZINC000411219208 227363961 /nfs/dbraw/zinc/36/39/61/227363961.db2.gz PUBSJECEDHUXRX-HZPDHXFCSA-N 1 3 310.482 2.113 20 0 DEADHO CN(C)[C@H](CNC(=O)CCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000155851687 291611882 /nfs/dbraw/zinc/61/18/82/291611882.db2.gz NEVIRJNJJHZWMR-SFHVURJKSA-N 1 3 317.477 2.055 20 0 DEADHO C[C@H]1CN(Cc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)CN1C ZINC000681492127 542156506 /nfs/dbraw/zinc/15/65/06/542156506.db2.gz OOXJHKVDMLLNSU-HOTGVXAUSA-N 1 3 305.466 2.151 20 0 DEADHO COc1cccc2c1CC[C@@H]2NCCC[NH+]1CCC(O)CC1 ZINC000268849304 207016257 /nfs/dbraw/zinc/01/62/57/207016257.db2.gz PIFKRGUPSRWPLL-KRWDZBQOSA-N 1 3 304.434 2.119 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H](N)CC(F)F)C1 ZINC000345704543 296313540 /nfs/dbraw/zinc/31/35/40/296313540.db2.gz DSXJJWQWQVFQBM-MGPQQGTHSA-N 1 3 317.424 2.082 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H](N)CC(F)F)C1 ZINC000345704543 296313541 /nfs/dbraw/zinc/31/35/41/296313541.db2.gz DSXJJWQWQVFQBM-MGPQQGTHSA-N 1 3 317.424 2.082 20 0 DEADHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc2c(c1)COC2 ZINC000268872308 207042875 /nfs/dbraw/zinc/04/28/75/207042875.db2.gz KRZHUWJRECEYJW-INIZCTEOSA-N 1 3 317.477 2.395 20 0 DEADHO CC[N@H+](C)Cc1cccc(CNC(=O)NC2CCN(C)CC2)c1 ZINC000061795363 184187667 /nfs/dbraw/zinc/18/76/67/184187667.db2.gz OXVUBAYCGWJXPX-UHFFFAOYSA-N 1 3 318.465 2.032 20 0 DEADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NC2CCN(C)CC2)c1 ZINC000061795363 184187670 /nfs/dbraw/zinc/18/76/70/184187670.db2.gz OXVUBAYCGWJXPX-UHFFFAOYSA-N 1 3 318.465 2.032 20 0 DEADHO C[N@H+](CCN1CCN(CCCCF)CC1)Cc1ccccc1 ZINC000286530212 219038598 /nfs/dbraw/zinc/03/85/98/219038598.db2.gz SXYCDDKAEZNNJX-UHFFFAOYSA-N 1 3 307.457 2.486 20 0 DEADHO C[N@@H+](CCN1CCN(CCCCF)CC1)Cc1ccccc1 ZINC000286530212 219038600 /nfs/dbraw/zinc/03/86/00/219038600.db2.gz SXYCDDKAEZNNJX-UHFFFAOYSA-N 1 3 307.457 2.486 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000157173643 197167247 /nfs/dbraw/zinc/16/72/47/197167247.db2.gz MUKUUPSUFNOZIJ-UHFFFAOYSA-N 1 3 300.491 2.087 20 0 DEADHO COc1cc([C@H](C)[NH2+][C@@H]2CCCCC[C@H]2N)ccc1OCCO ZINC000422970882 533131345 /nfs/dbraw/zinc/13/13/45/533131345.db2.gz HIHBHCIRGVUVPV-NUEKZKHPSA-N 1 3 322.449 2.377 20 0 DEADHO COc1cc2[nH+]ccc(NCCN3CC=CCC3)c2cc1OC ZINC000413256953 533146349 /nfs/dbraw/zinc/14/63/49/533146349.db2.gz ACELEUIRHKPKQO-UHFFFAOYSA-N 1 3 313.401 2.348 20 0 DEADHO C[C@@H]([NH2+]CCCN1CCCC1=O)[C@H]1CCCN(C2CCC2)C1 ZINC000542531972 285232433 /nfs/dbraw/zinc/23/24/33/285232433.db2.gz MZBWQUXYDKFORA-CVEARBPZSA-N 1 3 307.482 2.242 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1csc(C)n1 ZINC000349062767 285251045 /nfs/dbraw/zinc/25/10/45/285251045.db2.gz OBHJMAUAWYGHBP-MRXNPFEDSA-N 1 3 310.511 2.299 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1csc(C)n1 ZINC000349062767 285251046 /nfs/dbraw/zinc/25/10/46/285251046.db2.gz OBHJMAUAWYGHBP-MRXNPFEDSA-N 1 3 310.511 2.299 20 0 DEADHO NC[C@H](NC(=O)[C@H]1CC12CC[NH2+]CC2)c1ccc2ccccc2c1 ZINC000295042105 224398687 /nfs/dbraw/zinc/39/86/87/224398687.db2.gz OWCWHINGMALRAG-MSOLQXFVSA-N 1 3 323.440 2.346 20 0 DEADHO CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000544875703 285380243 /nfs/dbraw/zinc/38/02/43/285380243.db2.gz LHTWFVALFPZKBT-ROUUACIJSA-N 1 3 315.461 2.061 20 0 DEADHO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000544875703 285380244 /nfs/dbraw/zinc/38/02/44/285380244.db2.gz LHTWFVALFPZKBT-ROUUACIJSA-N 1 3 315.461 2.061 20 0 DEADHO COC[C@]1(C[NH2+][C@@H](C)CCc2ccc3c(c2)OCO3)CCCN1 ZINC000414950940 533236578 /nfs/dbraw/zinc/23/65/78/533236578.db2.gz FYVOHLOUCYHUTJ-KBXCAEBGSA-N 1 3 320.433 2.095 20 0 DEADHO C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000296508742 533333796 /nfs/dbraw/zinc/33/37/96/533333796.db2.gz RKRBJUXDFMGFJA-PBHICJAKSA-N 1 3 301.434 2.080 20 0 DEADHO COc1ccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)N)cc1 ZINC000422947135 533364905 /nfs/dbraw/zinc/36/49/05/533364905.db2.gz PUGNFYDBSZITJV-KBRIMQKVSA-N 1 3 306.450 2.315 20 0 DEADHO COc1ccc(C(C)(C)CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000422947135 533364910 /nfs/dbraw/zinc/36/49/10/533364910.db2.gz PUGNFYDBSZITJV-KBRIMQKVSA-N 1 3 306.450 2.315 20 0 DEADHO COc1cccc(C2(CN[C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])CC2)c1 ZINC000423127632 533436895 /nfs/dbraw/zinc/43/68/95/533436895.db2.gz UJAMXXNAKCZHIS-XOKHGSTOSA-N 1 3 304.434 2.069 20 0 DEADHO COc1cccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)N)CC2)c1 ZINC000423127632 533436898 /nfs/dbraw/zinc/43/68/98/533436898.db2.gz UJAMXXNAKCZHIS-XOKHGSTOSA-N 1 3 304.434 2.069 20 0 DEADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000423063136 285522780 /nfs/dbraw/zinc/52/27/80/285522780.db2.gz VOORSWBUUKEPPM-XYYYAOKXSA-N 1 3 314.429 2.399 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000562816184 292012794 /nfs/dbraw/zinc/01/27/94/292012794.db2.gz KVWOXPBUQOWATB-OAHLLOKOSA-N 1 3 324.513 2.280 20 0 DEADHO CN(CCc1c(F)cccc1Cl)C1CC[NH+](CCO)CC1 ZINC000357652218 133091003 /nfs/dbraw/zinc/09/10/03/133091003.db2.gz VACBQMFDQGBZKX-UHFFFAOYSA-N 1 3 314.832 2.410 20 0 DEADHO C[C@@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C1=CCN(C)CC1 ZINC000357863425 133105700 /nfs/dbraw/zinc/10/57/00/133105700.db2.gz RKIDGIYTCHQAQS-CQSZACIVSA-N 1 3 322.497 2.199 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000357886139 133107404 /nfs/dbraw/zinc/10/74/04/133107404.db2.gz RJVWATFPDKVGQU-RRFJBIMHSA-N 1 3 310.486 2.031 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000357886139 133107405 /nfs/dbraw/zinc/10/74/05/133107405.db2.gz RJVWATFPDKVGQU-RRFJBIMHSA-N 1 3 310.486 2.031 20 0 DEADHO COC(=O)[C@@H](C1CC1)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000359596232 133133388 /nfs/dbraw/zinc/13/33/88/133133388.db2.gz MPSAIDDKPKRFQK-QGZVFWFLSA-N 1 3 317.433 2.181 20 0 DEADHO CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000360049938 133159277 /nfs/dbraw/zinc/15/92/77/133159277.db2.gz HWKQFVLKCINJLP-JKSUJKDBSA-N 1 3 312.502 2.233 20 0 DEADHO Cc1cccc(CN(CCN(C)C)C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000362747831 133249121 /nfs/dbraw/zinc/24/91/21/133249121.db2.gz NFLWCVINNUNEDI-SJLPKXTDSA-N 1 3 317.477 2.083 20 0 DEADHO Cc1cccc(CN(CCN(C)C)C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000362747831 133249122 /nfs/dbraw/zinc/24/91/22/133249122.db2.gz NFLWCVINNUNEDI-SJLPKXTDSA-N 1 3 317.477 2.083 20 0 DEADHO Cc1ccncc1CCC[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000377544552 133333543 /nfs/dbraw/zinc/33/35/43/133333543.db2.gz UZLDYNBORMTACC-GOSISDBHSA-N 1 3 316.493 2.081 20 0 DEADHO CSC1(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)CC1 ZINC000377705894 133342936 /nfs/dbraw/zinc/34/29/36/133342936.db2.gz ZWIBMDDKTYOBRV-UHFFFAOYSA-N 1 3 311.539 2.232 20 0 DEADHO CC(C)(C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[C@H](N)c1ccccc1 ZINC000563048624 292027457 /nfs/dbraw/zinc/02/74/57/292027457.db2.gz XACIVUDNMJZYBB-IAGOWNOFSA-N 1 3 315.461 2.409 20 0 DEADHO CC(C)(C)N1CC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C1=O ZINC000564990952 292125137 /nfs/dbraw/zinc/12/51/37/292125137.db2.gz QFEQCNUFRKFMQI-MRXNPFEDSA-N 1 3 316.449 2.039 20 0 DEADHO Cc1ccc(CNC(=O)[C@@H](C)[NH2+]C2CCN(C(C)C)CC2)cc1 ZINC000173620008 144845601 /nfs/dbraw/zinc/84/56/01/144845601.db2.gz JNGGTIITBRPQRB-MRXNPFEDSA-N 1 3 317.477 2.462 20 0 DEADHO C[C@@H]1C[N@@H+](CC2CCN(CCOCC(F)F)CC2)C[C@H](C)O1 ZINC000189057712 145021407 /nfs/dbraw/zinc/02/14/07/145021407.db2.gz MIGBKRURJNGOKK-OKILXGFUSA-N 1 3 320.424 2.089 20 0 DEADHO C[C@@H]1C[N@H+](CC2CCN(CCOCC(F)F)CC2)C[C@H](C)O1 ZINC000189057712 145021409 /nfs/dbraw/zinc/02/14/09/145021409.db2.gz MIGBKRURJNGOKK-OKILXGFUSA-N 1 3 320.424 2.089 20 0 DEADHO CN(C)CCN(Cc1ccccc1)C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000261548629 145207257 /nfs/dbraw/zinc/20/72/57/145207257.db2.gz NRJXQKGEZIHLAD-MSOLQXFVSA-N 1 3 317.477 2.484 20 0 DEADHO [NH3+]CC[C@@H]1CCCN(Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000261753567 145222866 /nfs/dbraw/zinc/22/28/66/145222866.db2.gz CIKDEQGRSDDLEK-ZDUSSCGKSA-N 1 3 319.840 2.482 20 0 DEADHO C[NH2+][C@H](C)Cc1noc(-c2cccc(CN3CCCC3)c2)n1 ZINC000261874336 145236013 /nfs/dbraw/zinc/23/60/13/145236013.db2.gz VNJXNHBMELSYRO-CYBMUJFWSA-N 1 3 300.406 2.483 20 0 DEADHO COc1cc(OC)c(CN2CCC[C@H](CC[NH3+])C2)c(OC)c1 ZINC000261971959 145248745 /nfs/dbraw/zinc/24/87/45/145248745.db2.gz QESKCLHEYBKMEV-CYBMUJFWSA-N 1 3 308.422 2.273 20 0 DEADHO C[NH2+]CCC1CCN([C@@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000261989405 145251247 /nfs/dbraw/zinc/25/12/47/145251247.db2.gz LETKAWDLVNRGRH-CKDBGZEDSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1nn(-c2ccccn2)c(C)c1CN1CCC([C@H](C)[NH3+])CC1 ZINC000262046611 145257075 /nfs/dbraw/zinc/25/70/75/145257075.db2.gz ZAZNLIJLEZMGJX-ZDUSSCGKSA-N 1 3 313.449 2.443 20 0 DEADHO CN(C)CCOc1cccc(NC(=O)C2(C[NH3+])CCCC2)c1 ZINC000262109035 145262043 /nfs/dbraw/zinc/26/20/43/145262043.db2.gz JOYGBDCSZGCBDW-UHFFFAOYSA-N 1 3 305.422 2.085 20 0 DEADHO Cc1ccc(CN2CCCC[C@H]2CNC(=O)CC[NH3+])cc1C ZINC000262130524 145264472 /nfs/dbraw/zinc/26/44/72/145264472.db2.gz YCWBENVNSOCYQI-KRWDZBQOSA-N 1 3 303.450 2.123 20 0 DEADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336654595 145396838 /nfs/dbraw/zinc/39/68/38/145396838.db2.gz CDTCBKIYYKSLMA-SZMVWBNQSA-N 1 3 317.477 2.387 20 0 DEADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336654595 145396840 /nfs/dbraw/zinc/39/68/40/145396840.db2.gz CDTCBKIYYKSLMA-SZMVWBNQSA-N 1 3 317.477 2.387 20 0 DEADHO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000346139651 146022482 /nfs/dbraw/zinc/02/24/82/146022482.db2.gz WQFAXEUSDUWXGR-OAHLLOKOSA-N 1 3 324.428 2.413 20 0 DEADHO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000346139651 146022483 /nfs/dbraw/zinc/02/24/83/146022483.db2.gz WQFAXEUSDUWXGR-OAHLLOKOSA-N 1 3 324.428 2.413 20 0 DEADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(Oc4cnccn4)cc3)C[C@H]12 ZINC000346833850 146150122 /nfs/dbraw/zinc/15/01/22/146150122.db2.gz MRFNORCYKHFQBX-HYVNUMGLSA-N 1 3 310.401 2.438 20 0 DEADHO CCC[N@H+](Cc1cc2c(c(OC)c1)OCO2)C1CCNCC1 ZINC000347105896 146195473 /nfs/dbraw/zinc/19/54/73/146195473.db2.gz NPAVDPBRXMEUKI-UHFFFAOYSA-N 1 3 306.406 2.388 20 0 DEADHO CCC[N@@H+](Cc1cc2c(c(OC)c1)OCO2)C1CCNCC1 ZINC000347105896 146195475 /nfs/dbraw/zinc/19/54/75/146195475.db2.gz NPAVDPBRXMEUKI-UHFFFAOYSA-N 1 3 306.406 2.388 20 0 DEADHO COC(=O)c1cc(CNCc2cccc(C[NH+](C)C)c2)cn1C ZINC000348129016 146221165 /nfs/dbraw/zinc/22/11/65/146221165.db2.gz CSBIEQFZBOSWHN-UHFFFAOYSA-N 1 3 315.417 2.163 20 0 DEADHO C[C@H](CN(C)C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000348306962 146252888 /nfs/dbraw/zinc/25/28/88/146252888.db2.gz PPYGVNVXFKCFGK-QXCFHYIPSA-N 1 3 301.478 2.437 20 0 DEADHO CN(C/C=C/c1ccncc1)CCN(C)C1CC[NH+](C)CC1 ZINC000349058909 146345303 /nfs/dbraw/zinc/34/53/03/146345303.db2.gz ABNHFUVYSITOPQ-SNAWJCMRSA-N 1 3 302.466 2.053 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000349076631 146347712 /nfs/dbraw/zinc/34/77/12/146347712.db2.gz DCIZLNLMCGAVIG-IAGOWNOFSA-N 1 3 303.450 2.280 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000349076631 146347715 /nfs/dbraw/zinc/34/77/15/146347715.db2.gz DCIZLNLMCGAVIG-IAGOWNOFSA-N 1 3 303.450 2.280 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000349117689 146351536 /nfs/dbraw/zinc/35/15/36/146351536.db2.gz KWQZKXQOMAGMJM-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000349117689 146351538 /nfs/dbraw/zinc/35/15/38/146351538.db2.gz KWQZKXQOMAGMJM-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO CC[N@H+](CCC1CCN([C@H](C)C(=O)N(C)C)CC1)CC1CC1 ZINC000357071794 147035296 /nfs/dbraw/zinc/03/52/96/147035296.db2.gz BTAWQBTVHPLTIV-OAHLLOKOSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@@H+](CCC1CCN([C@H](C)C(=O)N(C)C)CC1)CC1CC1 ZINC000357071794 147035298 /nfs/dbraw/zinc/03/52/98/147035298.db2.gz BTAWQBTVHPLTIV-OAHLLOKOSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCOc1ncccc1C(F)(F)F ZINC000358354324 147118069 /nfs/dbraw/zinc/11/80/69/147118069.db2.gz QLQVPDWGWPJINY-WCQYABFASA-N 1 3 317.355 2.409 20 0 DEADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCOc1ncccc1C(F)(F)F ZINC000358354324 147118071 /nfs/dbraw/zinc/11/80/71/147118071.db2.gz QLQVPDWGWPJINY-WCQYABFASA-N 1 3 317.355 2.409 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000358417834 147130654 /nfs/dbraw/zinc/13/06/54/147130654.db2.gz FGYAQAOMBAGSNN-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000358417834 147130657 /nfs/dbraw/zinc/13/06/57/147130657.db2.gz FGYAQAOMBAGSNN-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H](NC(=O)[C@H](C)N1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000358514764 147148807 /nfs/dbraw/zinc/14/88/07/147148807.db2.gz XOVDPITXXZYSEF-CVEARBPZSA-N 1 3 315.461 2.328 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CCN1C ZINC000565432882 292162200 /nfs/dbraw/zinc/16/22/00/292162200.db2.gz OXRFICUUITYPDS-BPQIPLTHSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000565432882 292162202 /nfs/dbraw/zinc/16/22/02/292162202.db2.gz OXRFICUUITYPDS-BPQIPLTHSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1C[C@H](C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000358691932 147182776 /nfs/dbraw/zinc/18/27/76/147182776.db2.gz NWRISIGWHUDSFR-KBAYOESNSA-N 1 3 315.461 2.107 20 0 DEADHO NC[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(F)cc1 ZINC000358855020 147219213 /nfs/dbraw/zinc/21/92/13/147219213.db2.gz HUUKBURICHCAMV-NVXWUHKLSA-N 1 3 319.424 2.001 20 0 DEADHO NC[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc(F)cc1 ZINC000358855020 147219214 /nfs/dbraw/zinc/21/92/14/147219214.db2.gz HUUKBURICHCAMV-NVXWUHKLSA-N 1 3 319.424 2.001 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000359224421 147284682 /nfs/dbraw/zinc/28/46/82/147284682.db2.gz IGQRRIZQZSOMCF-NVXWUHKLSA-N 1 3 322.497 2.177 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000359224421 147284684 /nfs/dbraw/zinc/28/46/84/147284684.db2.gz IGQRRIZQZSOMCF-NVXWUHKLSA-N 1 3 322.497 2.177 20 0 DEADHO Cc1c[nH+]ccc1NCCCN1CCN(Cc2ccccc2)CC1 ZINC000359450575 147329705 /nfs/dbraw/zinc/32/97/05/147329705.db2.gz UBGSPBCOSOPPMB-UHFFFAOYSA-N 1 3 324.472 2.432 20 0 DEADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1coc(-c2c(F)cccc2F)n1 ZINC000565659997 292175434 /nfs/dbraw/zinc/17/54/34/292175434.db2.gz MEPRMEWGNSNMAK-BDAKNGLRSA-N 1 3 309.316 2.475 20 0 DEADHO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)N1CCC[C@H](C[NH3+])C1 ZINC000565716899 292177333 /nfs/dbraw/zinc/17/73/33/292177333.db2.gz HZGBTJANJYZWPA-WDEREUQCSA-N 1 3 313.804 2.477 20 0 DEADHO CC(C)COC(=O)N1CCC([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000370377081 148011544 /nfs/dbraw/zinc/01/15/44/148011544.db2.gz LOSQEJLJPCUFQM-IRXDYDNUSA-N 1 3 323.481 2.460 20 0 DEADHO CC(C)COC(=O)N1CCC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000370377081 148011545 /nfs/dbraw/zinc/01/15/45/148011545.db2.gz LOSQEJLJPCUFQM-IRXDYDNUSA-N 1 3 323.481 2.460 20 0 DEADHO CC(C)COC(=O)N1CCC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000370377081 148011548 /nfs/dbraw/zinc/01/15/48/148011548.db2.gz LOSQEJLJPCUFQM-IRXDYDNUSA-N 1 3 323.481 2.460 20 0 DEADHO CO[C@H](c1ccccc1)[C@@H](C)NCCC[NH+]1CCC(O)CC1 ZINC000279826021 286023163 /nfs/dbraw/zinc/02/31/63/286023163.db2.gz YNMGPQJOPSGWRS-QAPCUYQASA-N 1 3 306.450 2.199 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2)c1ccccc1 ZINC000375256065 148348974 /nfs/dbraw/zinc/34/89/74/148348974.db2.gz MFBKLJXGVQLILD-QOKNQOGYSA-N 1 3 315.461 2.232 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NCc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000566009803 292197341 /nfs/dbraw/zinc/19/73/41/292197341.db2.gz MIKTXYLGQSJOMR-RYUDHWBXSA-N 1 3 316.405 2.063 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCN1CCCCC1 ZINC000113574515 401782591 /nfs/dbraw/zinc/78/25/91/401782591.db2.gz OONXLNXUFIEIEX-MRXNPFEDSA-N 1 3 310.486 2.036 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCCN1CCCCC1 ZINC000113574515 401782594 /nfs/dbraw/zinc/78/25/94/401782594.db2.gz OONXLNXUFIEIEX-MRXNPFEDSA-N 1 3 310.486 2.036 20 0 DEADHO COc1ccc([C@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1 ZINC000128568879 401783118 /nfs/dbraw/zinc/78/31/18/401783118.db2.gz XNOSGNUBSLNBCS-INIZCTEOSA-N 1 3 305.466 2.373 20 0 DEADHO C[C@@H](NC(C)(C)CNC(=O)C[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000130694094 401837115 /nfs/dbraw/zinc/83/71/15/401837115.db2.gz PZZVDHNDIZFTAE-CABCVRRESA-N 1 3 303.450 2.232 20 0 DEADHO CCN(CCNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1CC1 ZINC000116429947 401852454 /nfs/dbraw/zinc/85/24/54/401852454.db2.gz RTRVWFAMYBAWKQ-OAHLLOKOSA-N 1 3 312.502 2.136 20 0 DEADHO COc1cccc([C@H](C[NH2+][C@H]2CCN(C)[C@H](C)C2)N(C)C)c1 ZINC000133621125 401892301 /nfs/dbraw/zinc/89/23/01/401892301.db2.gz DEWWANONOOYZOW-HFTRVMKXSA-N 1 3 305.466 2.370 20 0 DEADHO COc1cccc([C@H](CN[C@H]2CC[N@H+](C)[C@H](C)C2)N(C)C)c1 ZINC000133621125 401892304 /nfs/dbraw/zinc/89/23/04/401892304.db2.gz DEWWANONOOYZOW-HFTRVMKXSA-N 1 3 305.466 2.370 20 0 DEADHO COc1cccc([C@H](CN[C@H]2CC[N@@H+](C)[C@H](C)C2)N(C)C)c1 ZINC000133621125 401892306 /nfs/dbraw/zinc/89/23/06/401892306.db2.gz DEWWANONOOYZOW-HFTRVMKXSA-N 1 3 305.466 2.370 20 0 DEADHO COc1cccc([C@H](C[NH2+][C@H]2CCN(C)C[C@H]2C)N(C)C)c1 ZINC000133668203 401893144 /nfs/dbraw/zinc/89/31/44/401893144.db2.gz PRRBHNNRSIAVEH-JLSDUUJJSA-N 1 3 305.466 2.228 20 0 DEADHO COc1cccc([C@H](CN[C@H]2CC[N@H+](C)C[C@H]2C)N(C)C)c1 ZINC000133668203 401893145 /nfs/dbraw/zinc/89/31/45/401893145.db2.gz PRRBHNNRSIAVEH-JLSDUUJJSA-N 1 3 305.466 2.228 20 0 DEADHO COc1cccc([C@H](CN[C@H]2CC[N@@H+](C)C[C@H]2C)N(C)C)c1 ZINC000133668203 401893146 /nfs/dbraw/zinc/89/31/46/401893146.db2.gz PRRBHNNRSIAVEH-JLSDUUJJSA-N 1 3 305.466 2.228 20 0 DEADHO CC[C@@]1(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)CCC[NH2+]1 ZINC000134576925 401906873 /nfs/dbraw/zinc/90/68/73/401906873.db2.gz MTQYAGVZBYMEEV-WMZOPIPTSA-N 1 3 303.450 2.246 20 0 DEADHO Cc1ccc([C@H](CNC(=O)CCCC[NH3+])N2CCCC2)cc1 ZINC000566169298 292213651 /nfs/dbraw/zinc/21/36/51/292213651.db2.gz BQCAZHHCFBWZHW-KRWDZBQOSA-N 1 3 303.450 2.377 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000120165567 401980649 /nfs/dbraw/zinc/98/06/49/401980649.db2.gz NKUVIEDJSGVJNT-INMHGKMJSA-N 1 3 303.450 2.278 20 0 DEADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000120165567 401980651 /nfs/dbraw/zinc/98/06/51/401980651.db2.gz NKUVIEDJSGVJNT-INMHGKMJSA-N 1 3 303.450 2.278 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCCN(C)C1 ZINC000066704539 402140027 /nfs/dbraw/zinc/14/00/27/402140027.db2.gz MRMRMWJQSYLPLE-IRXDYDNUSA-N 1 3 324.513 2.282 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCCN(C)C1 ZINC000066704539 402140029 /nfs/dbraw/zinc/14/00/29/402140029.db2.gz MRMRMWJQSYLPLE-IRXDYDNUSA-N 1 3 324.513 2.282 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000124166445 402166854 /nfs/dbraw/zinc/16/68/54/402166854.db2.gz NEIFDPCOJOXKLO-QGZVFWFLSA-N 1 3 303.450 2.239 20 0 DEADHO CC[C@@H](NCCC[N@H+](C)CCOC)c1ccc2c(c1)OCCO2 ZINC000153748862 402167958 /nfs/dbraw/zinc/16/79/58/402167958.db2.gz OXAGTPUCXCOVKZ-MRXNPFEDSA-N 1 3 322.449 2.467 20 0 DEADHO CC[C@@H](NCCC[N@@H+](C)CCOC)c1ccc2c(c1)OCCO2 ZINC000153748862 402167961 /nfs/dbraw/zinc/16/79/61/402167961.db2.gz OXAGTPUCXCOVKZ-MRXNPFEDSA-N 1 3 322.449 2.467 20 0 DEADHO CCN1CCN(CCCC[NH2+][C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000154532184 402217129 /nfs/dbraw/zinc/21/71/29/402217129.db2.gz QMQXMHUOASQVRG-MRXNPFEDSA-N 1 3 311.514 2.340 20 0 DEADHO C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000108333808 402250841 /nfs/dbraw/zinc/25/08/41/402250841.db2.gz YJDPOVUZIDXEII-KRWDZBQOSA-N 1 3 315.461 2.354 20 0 DEADHO C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000108333808 402250842 /nfs/dbraw/zinc/25/08/42/402250842.db2.gz YJDPOVUZIDXEII-KRWDZBQOSA-N 1 3 315.461 2.354 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000155611274 402262763 /nfs/dbraw/zinc/26/27/63/402262763.db2.gz FXDHQEQWLCZNKN-PBHICJAKSA-N 1 3 303.450 2.272 20 0 DEADHO CCO[C@@H](CC[NH+](C)C)CNCc1cnc(C(C)(C)C)nc1 ZINC000342777980 286198170 /nfs/dbraw/zinc/19/81/70/286198170.db2.gz AKFNGRQGQXHYEA-HNNXBMFYSA-N 1 3 308.470 2.221 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000157977364 402300716 /nfs/dbraw/zinc/30/07/16/402300716.db2.gz FBHVQDAGAMTJQU-JKSUJKDBSA-N 1 3 312.502 2.088 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000157977364 402300717 /nfs/dbraw/zinc/30/07/17/402300717.db2.gz FBHVQDAGAMTJQU-JKSUJKDBSA-N 1 3 312.502 2.088 20 0 DEADHO COC(=O)COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCN2C)cc1 ZINC000185656628 402367531 /nfs/dbraw/zinc/36/75/31/402367531.db2.gz JHMVMCMTHOZDBN-ZBFHGGJFSA-N 1 3 320.433 2.373 20 0 DEADHO CC(C)[C@](C)(C[NH3+])NC(=O)c1cccc(CN2CCCC2)c1 ZINC000236684046 402373892 /nfs/dbraw/zinc/37/38/92/402373892.db2.gz MQMJNNXWSNVEBS-SFHVURJKSA-N 1 3 303.450 2.386 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)C(C)(C)C[NH3+])c1cccc(OC)c1 ZINC000236817677 402383751 /nfs/dbraw/zinc/38/37/51/402383751.db2.gz HXJXPSQGZCHXBM-INIZCTEOSA-N 1 3 321.465 2.179 20 0 DEADHO C[C@H](CNC(=O)NCCN1CCC(C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000226570014 402329175 /nfs/dbraw/zinc/32/91/75/402329175.db2.gz VIHGYOBHGPIAPL-IAGOWNOFSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](CNC(=O)NCCN1CCC(C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000226570014 402329176 /nfs/dbraw/zinc/32/91/76/402329176.db2.gz VIHGYOBHGPIAPL-IAGOWNOFSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)[C@H](C)CN1 ZINC000237368059 402405671 /nfs/dbraw/zinc/40/56/71/402405671.db2.gz FJQNJDFAHLUNOW-HUUCEWRRSA-N 1 3 301.434 2.105 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)N1CCCCC1 ZINC000177478272 402407061 /nfs/dbraw/zinc/40/70/61/402407061.db2.gz YKEOMCYFBYHXBL-IXDOHACOSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H]1C[NH+](CCC2CCN(Cc3cnn(C)c3)CC2)C[C@H](C)O1 ZINC000177485158 402407550 /nfs/dbraw/zinc/40/75/50/402407550.db2.gz FKSMEKUXWUJRLK-HOTGVXAUSA-N 1 3 320.481 2.131 20 0 DEADHO CCC[C@H]1CN(CCC[NH+]2CCCCC2)CCN1CCOC ZINC000162176521 402411955 /nfs/dbraw/zinc/41/19/55/402411955.db2.gz XVMDJJRWTYQBRH-SFHVURJKSA-N 1 3 311.514 2.295 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)C2CC[NH2+]CC2)N2CCCC2)cc1 ZINC000237876724 402423770 /nfs/dbraw/zinc/42/37/70/402423770.db2.gz OTGZOWHKZRXKKV-GOSISDBHSA-N 1 3 315.461 2.248 20 0 DEADHO CC(C)N1CCC([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000162878926 402435146 /nfs/dbraw/zinc/43/51/46/402435146.db2.gz URAHQRNIEGXYBW-IRXDYDNUSA-N 1 3 311.514 2.338 20 0 DEADHO CC[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000164953214 402471598 /nfs/dbraw/zinc/47/15/98/402471598.db2.gz KYRCLGQZYGAXSG-ROUUACIJSA-N 1 3 315.461 2.082 20 0 DEADHO O=C(NCC1CCN(Cc2cccs2)CC1)[C@H]1CCCC[NH2+]1 ZINC000166209084 402482520 /nfs/dbraw/zinc/48/25/20/402482520.db2.gz BMBWCRULKBRVDJ-MRXNPFEDSA-N 1 3 321.490 2.218 20 0 DEADHO CSCC[C@H](N)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000167623077 402492588 /nfs/dbraw/zinc/49/25/88/402492588.db2.gz AIEHOFBADNBSNA-ZFWWWQNUSA-N 1 3 323.506 2.312 20 0 DEADHO C[C@@H]([NH3+])C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000167844349 402494300 /nfs/dbraw/zinc/49/43/00/402494300.db2.gz JCHLUFTWUUHMAL-GFCCVEGCSA-N 1 3 309.841 2.015 20 0 DEADHO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000178414650 402495819 /nfs/dbraw/zinc/49/58/19/402495819.db2.gz LXQHPWOEHXFFEG-HKUYNNGSSA-N 1 3 316.493 2.368 20 0 DEADHO C[C@@H](CNC(=O)C1(C[NH3+])CCCC1)N(C)Cc1ccccc1 ZINC000168752133 402498568 /nfs/dbraw/zinc/49/85/68/402498568.db2.gz KWYRENRELGRCRF-HNNXBMFYSA-N 1 3 303.450 2.142 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000246745127 402543293 /nfs/dbraw/zinc/54/32/93/402543293.db2.gz YXKNALUEFZVOPT-ZACQAIPSSA-N 1 3 324.513 2.233 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000246745127 402543296 /nfs/dbraw/zinc/54/32/96/402543296.db2.gz YXKNALUEFZVOPT-ZACQAIPSSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)(C)OC(=O)N1CC[C@@H](NCCC[NH+]2CCCCC2)C1 ZINC000178840021 402545770 /nfs/dbraw/zinc/54/57/70/402545770.db2.gz RYNKEKVXMJVCGP-OAHLLOKOSA-N 1 3 311.470 2.461 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000178857871 402547467 /nfs/dbraw/zinc/54/74/67/402547467.db2.gz REJOVHKGGAGSKK-INMHGKMJSA-N 1 3 305.466 2.387 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000178857871 402547469 /nfs/dbraw/zinc/54/74/69/402547469.db2.gz REJOVHKGGAGSKK-INMHGKMJSA-N 1 3 305.466 2.387 20 0 DEADHO CCN(CCC[NH+](C)C)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000188617242 402521392 /nfs/dbraw/zinc/52/13/92/402521392.db2.gz FYNPSVKBCABGJN-HOTGVXAUSA-N 1 3 312.502 2.090 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000246281618 402522587 /nfs/dbraw/zinc/52/25/87/402522587.db2.gz KBHQDHGLRCVZMC-NCOADZHNSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000246281618 402522588 /nfs/dbraw/zinc/52/25/88/402522588.db2.gz KBHQDHGLRCVZMC-NCOADZHNSA-N 1 3 324.513 2.088 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000246275421 402522838 /nfs/dbraw/zinc/52/28/38/402522838.db2.gz HKPRLEWIAUVEQY-JKSUJKDBSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000246275421 402522841 /nfs/dbraw/zinc/52/28/41/402522841.db2.gz HKPRLEWIAUVEQY-JKSUJKDBSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000246364376 402527289 /nfs/dbraw/zinc/52/72/89/402527289.db2.gz FSYYSGYQTBMWSA-DLBZAZTESA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000246364376 402527291 /nfs/dbraw/zinc/52/72/91/402527291.db2.gz FSYYSGYQTBMWSA-DLBZAZTESA-N 1 3 324.513 2.138 20 0 DEADHO CC1CCN(C(=O)C2CC[NH+](CC[C@H]3CCCN3C)CC2)CC1 ZINC000179405701 402588639 /nfs/dbraw/zinc/58/86/39/402588639.db2.gz ZXGSVARRGROLMV-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171622574 402602669 /nfs/dbraw/zinc/60/26/69/402602669.db2.gz HYRLRRNFHHGRPM-DLBZAZTESA-N 1 3 322.497 2.131 20 0 DEADHO C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1ccc(OCCN(C)C)cc1 ZINC000250084563 402644590 /nfs/dbraw/zinc/64/45/90/402644590.db2.gz PPEOXNXUCFXSCU-RRQGHBQHSA-N 1 3 306.450 2.437 20 0 DEADHO Cc1cc(NC(=O)[C@H](C)[C@H](C)[NH3+])ccc1OCCN1CCCC1 ZINC000192117575 402712631 /nfs/dbraw/zinc/71/26/31/402712631.db2.gz GDWTZUYQIMLBLE-CABCVRRESA-N 1 3 319.449 2.391 20 0 DEADHO CN1CCC[C@@H](C[N@H+](C)C[C@@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000172820080 402677361 /nfs/dbraw/zinc/67/73/61/402677361.db2.gz DSNVOCYCNQPIGC-NVXWUHKLSA-N 1 3 317.433 2.285 20 0 DEADHO CN1CCC[C@@H](C[N@@H+](C)C[C@@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000172820080 402677362 /nfs/dbraw/zinc/67/73/62/402677362.db2.gz DSNVOCYCNQPIGC-NVXWUHKLSA-N 1 3 317.433 2.285 20 0 DEADHO C[NH2+]CCC1CCN(C(=O)[C@H](C(C)C)N2CCCCC2)CC1 ZINC000261972577 402720701 /nfs/dbraw/zinc/72/07/01/402720701.db2.gz BPAWMCMUBPHPPE-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000183216732 402747991 /nfs/dbraw/zinc/74/79/91/402747991.db2.gz LRMPQVHGUSVQAP-AWEZNQCLSA-N 1 3 321.465 2.050 20 0 DEADHO Cc1nc(Cl)cc(NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000263795900 402805288 /nfs/dbraw/zinc/80/52/88/402805288.db2.gz OVKHQUHXENKOII-UHFFFAOYSA-N 1 3 323.872 2.409 20 0 DEADHO Cc1ccc([C@H](CNC(=O)CC[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000292161154 292251863 /nfs/dbraw/zinc/25/18/63/292251863.db2.gz VBDXPZVKMDZRMH-SJORKVTESA-N 1 3 303.450 2.246 20 0 DEADHO C[C@@H](c1ccccc1)[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000195519158 402850196 /nfs/dbraw/zinc/85/01/96/402850196.db2.gz CHEYAGHUCZCBPZ-HNNXBMFYSA-N 1 3 303.450 2.137 20 0 DEADHO CN1CCC(O)(C[NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000265828779 402953961 /nfs/dbraw/zinc/95/39/61/402953961.db2.gz CJSXDZBGFHQIHF-UHFFFAOYSA-N 1 3 302.340 2.252 20 0 DEADHO CCOC(=O)CC[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000280355706 402991334 /nfs/dbraw/zinc/99/13/34/402991334.db2.gz IOEMOHRKBDNQNY-CALCHBBNSA-N 1 3 302.418 2.003 20 0 DEADHO CCOC(=O)CC[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000280355706 402991335 /nfs/dbraw/zinc/99/13/35/402991335.db2.gz IOEMOHRKBDNQNY-CALCHBBNSA-N 1 3 302.418 2.003 20 0 DEADHO CN(C)CCOc1ccc(NC(=O)CC2CC[NH+](C)CC2)cc1 ZINC000273160716 402978464 /nfs/dbraw/zinc/97/84/64/402978464.db2.gz BZPUQUAQVSYAAY-UHFFFAOYSA-N 1 3 319.449 2.297 20 0 DEADHO CN1CCC(CC(=O)Nc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000273160716 402978466 /nfs/dbraw/zinc/97/84/66/402978466.db2.gz BZPUQUAQVSYAAY-UHFFFAOYSA-N 1 3 319.449 2.297 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281233521 403061159 /nfs/dbraw/zinc/06/11/59/403061159.db2.gz MNRABAGBTSADTF-SFHVURJKSA-N 1 3 320.456 2.289 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@]2(C)CCC[NH2+]C2)CN1Cc1ccccc1 ZINC000269419791 403138309 /nfs/dbraw/zinc/13/83/09/403138309.db2.gz KJNNQQXRYMOGOM-AYBZRNKSSA-N 1 3 315.461 2.155 20 0 DEADHO COC1(CCN2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CCC1 ZINC000338946222 403292877 /nfs/dbraw/zinc/29/28/77/403292877.db2.gz VPCLELJHGDTJNC-HDICACEKSA-N 1 3 323.525 2.436 20 0 DEADHO COC1(CCN2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CCC1 ZINC000338946222 403292878 /nfs/dbraw/zinc/29/28/78/403292878.db2.gz VPCLELJHGDTJNC-HDICACEKSA-N 1 3 323.525 2.436 20 0 DEADHO Cn1cnnc1CNC1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000284146903 403249327 /nfs/dbraw/zinc/24/93/27/403249327.db2.gz OZZXWHWBVISSKU-UHFFFAOYSA-N 1 3 313.449 2.348 20 0 DEADHO Cn1cnnc1CNC1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000284146903 403249330 /nfs/dbraw/zinc/24/93/30/403249330.db2.gz OZZXWHWBVISSKU-UHFFFAOYSA-N 1 3 313.449 2.348 20 0 DEADHO COC1CCN(C(C)(C)CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000339072679 403345086 /nfs/dbraw/zinc/34/50/86/403345086.db2.gz YYVQXADSADINFX-JKSUJKDBSA-N 1 3 309.498 2.092 20 0 DEADHO COC1CCN(C(C)(C)CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000339072679 403345088 /nfs/dbraw/zinc/34/50/88/403345088.db2.gz YYVQXADSADINFX-JKSUJKDBSA-N 1 3 309.498 2.092 20 0 DEADHO CN1CC[C@]2(CC[N@H+](Cc3ccc4c(c3)CCC(=O)N4C)C2)C1 ZINC000292152036 403306801 /nfs/dbraw/zinc/30/68/01/403306801.db2.gz NPWMGDNNGHAQMO-IBGZPJMESA-N 1 3 313.445 2.123 20 0 DEADHO CN1CC[C@]2(CC[N@@H+](Cc3ccc4c(c3)CCC(=O)N4C)C2)C1 ZINC000292152036 403306805 /nfs/dbraw/zinc/30/68/05/403306805.db2.gz NPWMGDNNGHAQMO-IBGZPJMESA-N 1 3 313.445 2.123 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000298089152 403318446 /nfs/dbraw/zinc/31/84/46/403318446.db2.gz SEXWRIUVRLPVFE-GOSISDBHSA-N 1 3 315.461 2.497 20 0 DEADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC1(C)C ZINC000342720492 403321312 /nfs/dbraw/zinc/32/13/12/403321312.db2.gz CCIGGEPLSHVWND-DLBZAZTESA-N 1 3 317.477 2.054 20 0 DEADHO COc1ccc([C@H]([NH2+]C[C@H](O)CN2CCCC2)C2CC2)cc1 ZINC000298213417 403332203 /nfs/dbraw/zinc/33/22/03/403332203.db2.gz MMMLMIKGPYYUCQ-FUHWJXTLSA-N 1 3 304.434 2.193 20 0 DEADHO C[C@@H](C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C)N1[C@H](C)CC[C@@H]1C ZINC000342750388 403334072 /nfs/dbraw/zinc/33/40/72/403334072.db2.gz BKCXBNIANGDKTQ-ALYAQQCSSA-N 1 3 307.482 2.333 20 0 DEADHO Cc1ccc(OC[C@@H](O)C[NH2+][C@H](C)C2=CCN(C)CC2)c(C)c1 ZINC000566851326 292272219 /nfs/dbraw/zinc/27/22/19/292272219.db2.gz CDRALBNBRSCRRM-AEFFLSMTSA-N 1 3 318.461 2.283 20 0 DEADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H](N)CC(F)F)c1 ZINC000345732020 403459970 /nfs/dbraw/zinc/45/99/70/403459970.db2.gz YYZIWEMBMOEMAJ-AWEZNQCLSA-N 1 3 313.392 2.126 20 0 DEADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](N)CC(F)F)c1 ZINC000345732020 403459972 /nfs/dbraw/zinc/45/99/72/403459972.db2.gz YYZIWEMBMOEMAJ-AWEZNQCLSA-N 1 3 313.392 2.126 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CCCN1C ZINC000345753746 403470022 /nfs/dbraw/zinc/47/00/22/403470022.db2.gz QPXVVCJWSUZYDF-ZACQAIPSSA-N 1 3 322.497 2.129 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)NCC1=CCN(C)CC1)CC(C)C ZINC000343360205 403554064 /nfs/dbraw/zinc/55/40/64/403554064.db2.gz MBDDGWUSCSXWSL-QGZVFWFLSA-N 1 3 324.513 2.304 20 0 DEADHO CC[C@H](NCCC[N@H+](C)CCOC)c1ccc(C(=O)OC)cc1 ZINC000293598667 403515626 /nfs/dbraw/zinc/51/56/26/403515626.db2.gz FXJJKYYQUUDWBV-KRWDZBQOSA-N 1 3 322.449 2.482 20 0 DEADHO CC[C@H](NCCC[N@@H+](C)CCOC)c1ccc(C(=O)OC)cc1 ZINC000293598667 403515628 /nfs/dbraw/zinc/51/56/28/403515628.db2.gz FXJJKYYQUUDWBV-KRWDZBQOSA-N 1 3 322.449 2.482 20 0 DEADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](C)CN(C)C)cc1 ZINC000293879646 403589279 /nfs/dbraw/zinc/58/92/79/403589279.db2.gz YQAMRZMCKJWHLJ-ZIAGYGMSSA-N 1 3 307.438 2.200 20 0 DEADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@@H](C)C[NH+](C)C)cc1 ZINC000293879646 403589290 /nfs/dbraw/zinc/58/92/90/403589290.db2.gz YQAMRZMCKJWHLJ-ZIAGYGMSSA-N 1 3 307.438 2.200 20 0 DEADHO C[NH+](C)CCCOc1cnccc1CN[C@@H]1CCOC1(C)C ZINC000293969704 403613024 /nfs/dbraw/zinc/61/30/24/403613024.db2.gz AQKOUDAFFGBEMF-MRXNPFEDSA-N 1 3 307.438 2.069 20 0 DEADHO COCC[C@H](CO)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000343552013 403634095 /nfs/dbraw/zinc/63/40/95/403634095.db2.gz OLNKXLSUAVSEEG-MVCQKVDPSA-N 1 3 318.461 2.169 20 0 DEADHO COCC[C@H](CO)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000343552013 403634098 /nfs/dbraw/zinc/63/40/98/403634098.db2.gz OLNKXLSUAVSEEG-MVCQKVDPSA-N 1 3 318.461 2.169 20 0 DEADHO Cc1cc(N2CCC([NH2+][C@@H](C)[C@@H]3CCCCN3)CC2)nc(C)n1 ZINC000333254918 403708257 /nfs/dbraw/zinc/70/82/57/403708257.db2.gz HRCHBHUATFRKKZ-YOEHRIQHSA-N 1 3 317.481 2.182 20 0 DEADHO Cc1cc(N2CCC(N[C@@H](C)[C@@H]3CCCC[NH2+]3)CC2)nc(C)n1 ZINC000333254918 403708260 /nfs/dbraw/zinc/70/82/60/403708260.db2.gz HRCHBHUATFRKKZ-YOEHRIQHSA-N 1 3 317.481 2.182 20 0 DEADHO CC(C)[C@H](C(=O)NCC1CCC(C[NH3+])CC1)N1CCCCC1 ZINC000343643794 403674696 /nfs/dbraw/zinc/67/46/96/403674696.db2.gz CEHZBXGUFORHEF-OFLPRAFFSA-N 1 3 309.498 2.378 20 0 DEADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3cccc4c3OCO4)CC2)C1 ZINC000333195423 403690836 /nfs/dbraw/zinc/69/08/36/403690836.db2.gz WDAPZUGVCRQNFX-DOTOQJQBSA-N 1 3 318.417 2.134 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CCN1C ZINC000340935874 403703861 /nfs/dbraw/zinc/70/38/61/403703861.db2.gz IUNFJDSSOUEZTK-DJIMGWMZSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H](CNC(=O)N[C@@H]1CCN(C)[C@H](C)C1)[N@@H+]1CCCC[C@H]1C ZINC000340935087 403704142 /nfs/dbraw/zinc/70/41/42/403704142.db2.gz HCJIMRBFFVLHOU-LVQVYYBASA-N 1 3 310.486 2.031 20 0 DEADHO C[C@@H](CNC(=O)N[C@@H]1CCN(C)[C@H](C)C1)[N@H+]1CCCC[C@H]1C ZINC000340935087 403704145 /nfs/dbraw/zinc/70/41/45/403704145.db2.gz HCJIMRBFFVLHOU-LVQVYYBASA-N 1 3 310.486 2.031 20 0 DEADHO C[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCCC[C@H]1C ZINC000340937193 403705219 /nfs/dbraw/zinc/70/52/19/403705219.db2.gz LAMSELRHIQQIGX-TWMKSMIVSA-N 1 3 322.497 2.127 20 0 DEADHO C[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCCC[C@H]1C ZINC000340937193 403705223 /nfs/dbraw/zinc/70/52/23/403705223.db2.gz LAMSELRHIQQIGX-TWMKSMIVSA-N 1 3 322.497 2.127 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(CN(C)C)cc1 ZINC000343582158 403649550 /nfs/dbraw/zinc/64/95/50/403649550.db2.gz XUZLBSQZHPVWNL-QGZVFWFLSA-N 1 3 303.450 2.352 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(CN(C)C)cc1 ZINC000343582158 403649554 /nfs/dbraw/zinc/64/95/54/403649554.db2.gz XUZLBSQZHPVWNL-QGZVFWFLSA-N 1 3 303.450 2.352 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CCCN1C ZINC000343861635 403764189 /nfs/dbraw/zinc/76/41/89/403764189.db2.gz GRTILKZATJPDSD-OIISXLGYSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCCN1C ZINC000343861635 403764195 /nfs/dbraw/zinc/76/41/95/403764195.db2.gz GRTILKZATJPDSD-OIISXLGYSA-N 1 3 322.497 2.033 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000340957165 403712877 /nfs/dbraw/zinc/71/28/77/403712877.db2.gz AYZAJVZKPRBZNE-IRXDYDNUSA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000340988452 403724501 /nfs/dbraw/zinc/72/45/01/403724501.db2.gz LOLDYCCHVUPEOY-MRXNPFEDSA-N 1 3 324.513 2.425 20 0 DEADHO C(Cc1nnc2n1CCCCC2)N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000333347970 403730645 /nfs/dbraw/zinc/73/06/45/403730645.db2.gz ZRTMUPVDSMIIIZ-XHSDSOJGSA-N 1 3 317.481 2.057 20 0 DEADHO C[C@@H](CNC(=O)c1ccc2c(c1)CNC2)[NH+]1CCC(C)CC1 ZINC000347514310 403737308 /nfs/dbraw/zinc/73/73/08/403737308.db2.gz FQTGJRJSEWQQTF-AWEZNQCLSA-N 1 3 301.434 2.140 20 0 DEADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000295025832 403739613 /nfs/dbraw/zinc/73/96/13/403739613.db2.gz NOZLFZOYMSGLCM-BBRMVZONSA-N 1 3 305.397 2.044 20 0 DEADHO CSc1ccc([C@H](CNC(=O)/C=C/C[NH+](C)C)N(C)C)cc1 ZINC000295071915 403750913 /nfs/dbraw/zinc/75/09/13/403750913.db2.gz YUEPLDNRPQHURT-MOEXGYKKSA-N 1 3 321.490 2.245 20 0 DEADHO C[C@H]1CCNC[C@H]1[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000422703865 533676159 /nfs/dbraw/zinc/67/61/59/533676159.db2.gz JDUKMIAOHBWNQS-JKSUJKDBSA-N 1 3 311.539 2.326 20 0 DEADHO Cc1cc(C)cc(OC[C@H](O)CN2CCC(C[NH+](C)C)CC2)c1 ZINC000341184261 403812694 /nfs/dbraw/zinc/81/26/94/403812694.db2.gz INXRCEXHWGVPIH-GOSISDBHSA-N 1 3 320.477 2.317 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN(C)C[C@@H]2CC=CCC2)CC1 ZINC000344079402 403896210 /nfs/dbraw/zinc/89/62/10/403896210.db2.gz YFDBKIAGPMYFPH-MRXNPFEDSA-N 1 3 307.482 2.264 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC000341304565 403897121 /nfs/dbraw/zinc/89/71/21/403897121.db2.gz VEDOYJXTYBMOJU-DLTWYDFYSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[N@H+]1CCCC[C@@H]1C ZINC000341304565 403897130 /nfs/dbraw/zinc/89/71/30/403897130.db2.gz VEDOYJXTYBMOJU-DLTWYDFYSA-N 1 3 322.497 2.031 20 0 DEADHO O[C@@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(F)F ZINC000567165944 292293455 /nfs/dbraw/zinc/29/34/55/292293455.db2.gz DAXMEPAULYTHLZ-CABCVRRESA-N 1 3 310.388 2.399 20 0 DEADHO O[C@@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(F)F ZINC000567165944 292293457 /nfs/dbraw/zinc/29/34/57/292293457.db2.gz DAXMEPAULYTHLZ-CABCVRRESA-N 1 3 310.388 2.399 20 0 DEADHO O[C@@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(F)F ZINC000567165945 292293574 /nfs/dbraw/zinc/29/35/74/292293574.db2.gz DAXMEPAULYTHLZ-GJZGRUSLSA-N 1 3 310.388 2.399 20 0 DEADHO O[C@@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(F)F ZINC000567165945 292293576 /nfs/dbraw/zinc/29/35/76/292293576.db2.gz DAXMEPAULYTHLZ-GJZGRUSLSA-N 1 3 310.388 2.399 20 0 DEADHO C[C@@H]1C[C@H](NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)[C@@H](C)O1 ZINC000295349732 403875621 /nfs/dbraw/zinc/87/56/21/403875621.db2.gz ILUMQGWITRJWDD-LTDCPUDJSA-N 1 3 318.461 2.299 20 0 DEADHO C[C@@H]1C[C@H](NCc2ccccc2C[N@H+]2CCC[C@H]2CO)[C@@H](C)O1 ZINC000295349732 403875630 /nfs/dbraw/zinc/87/56/30/403875630.db2.gz ILUMQGWITRJWDD-LTDCPUDJSA-N 1 3 318.461 2.299 20 0 DEADHO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)C12CCC2 ZINC000362032683 286398614 /nfs/dbraw/zinc/39/86/14/286398614.db2.gz PDFKUMSGWJMXJO-BPQIPLTHSA-N 1 3 321.509 2.092 20 0 DEADHO C[C@H](O)CN(Cc1cccc(C[NH+]2CCCCC2)c1)[C@@H](C)CO ZINC000411610412 403910448 /nfs/dbraw/zinc/91/04/48/403910448.db2.gz GTUVNFMIOSQSDY-IRXDYDNUSA-N 1 3 320.477 2.236 20 0 DEADHO CCCNC(=O)CC[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000347879550 403927035 /nfs/dbraw/zinc/92/70/35/403927035.db2.gz OPLHYKXHMQZUDK-SJLPKXTDSA-N 1 3 317.477 2.403 20 0 DEADHO CCCNC(=O)CCN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347879550 403927044 /nfs/dbraw/zinc/92/70/44/403927044.db2.gz OPLHYKXHMQZUDK-SJLPKXTDSA-N 1 3 317.477 2.403 20 0 DEADHO CCCNC(=O)CCN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347879550 403927055 /nfs/dbraw/zinc/92/70/55/403927055.db2.gz OPLHYKXHMQZUDK-SJLPKXTDSA-N 1 3 317.477 2.403 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC1CCN(CC(F)F)CC1 ZINC000341366281 403932845 /nfs/dbraw/zinc/93/28/45/403932845.db2.gz QCHPEJYFNICDLN-OAHLLOKOSA-N 1 3 303.441 2.426 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1CNC1CCN(CC(F)F)CC1 ZINC000341366281 403932852 /nfs/dbraw/zinc/93/28/52/403932852.db2.gz QCHPEJYFNICDLN-OAHLLOKOSA-N 1 3 303.441 2.426 20 0 DEADHO CCN(Cc1ccc(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1)C1CC1 ZINC000351827929 403945905 /nfs/dbraw/zinc/94/59/05/403945905.db2.gz SOIWSDUWBXUBAZ-WMLDXEAASA-N 1 3 315.461 2.480 20 0 DEADHO C[C@H](CNC(=O)NCCN1CCC(C)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000337367180 403983023 /nfs/dbraw/zinc/98/30/23/403983023.db2.gz MLSHDACAIQCQIW-DLBZAZTESA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H](CNC(=O)NCCN1CCC(C)CC1)[N@H+]1CCCC[C@@H]1C ZINC000337367180 403983028 /nfs/dbraw/zinc/98/30/28/403983028.db2.gz MLSHDACAIQCQIW-DLBZAZTESA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCC[C@@H](C)C1 ZINC000337389728 403992523 /nfs/dbraw/zinc/99/25/23/403992523.db2.gz YZCXQVONTUATIG-NCOADZHNSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)N1CCC[C@@H](C)C1 ZINC000337389728 403992532 /nfs/dbraw/zinc/99/25/32/403992532.db2.gz YZCXQVONTUATIG-NCOADZHNSA-N 1 3 322.497 2.033 20 0 DEADHO CN(CCNC(=O)C[C@H]1CCCC[C@H]1[NH3+])Cc1ccccc1 ZINC000295611912 404000305 /nfs/dbraw/zinc/00/03/05/404000305.db2.gz DUGIEFNPSBNHHP-IAGOWNOFSA-N 1 3 303.450 2.142 20 0 DEADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000290056326 404022792 /nfs/dbraw/zinc/02/27/92/404022792.db2.gz VKLDPJISYWXDNO-BPQIPLTHSA-N 1 3 315.461 2.155 20 0 DEADHO Cc1cc(C)c(NC(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C)c1 ZINC000323975041 404099240 /nfs/dbraw/zinc/09/92/40/404099240.db2.gz IIPKWYPIRQGKNB-CALCHBBNSA-N 1 3 315.461 2.482 20 0 DEADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)c1cccc(N2CCOCC2)c1 ZINC000344308467 404048021 /nfs/dbraw/zinc/04/80/21/404048021.db2.gz YOWMKARPEIAAPK-MRXNPFEDSA-N 1 3 315.461 2.436 20 0 DEADHO CCc1ccc(NC(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000320140158 404062905 /nfs/dbraw/zinc/06/29/05/404062905.db2.gz OYIFJBZSVRPMBP-IYBDPMFKSA-N 1 3 301.434 2.119 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C)c1ccsc1 ZINC000341770378 404161115 /nfs/dbraw/zinc/16/11/15/404161115.db2.gz NNBNAFBFOUZLPW-CWRNSKLLSA-N 1 3 323.506 2.445 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)c1ccsc1 ZINC000341770378 404161124 /nfs/dbraw/zinc/16/11/24/404161124.db2.gz NNBNAFBFOUZLPW-CWRNSKLLSA-N 1 3 323.506 2.445 20 0 DEADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCCN(CC2CCC2)CC1 ZINC000412310908 404239395 /nfs/dbraw/zinc/23/93/95/404239395.db2.gz NBNSZKJSKAXVBN-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)CCN(C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000363937046 404258526 /nfs/dbraw/zinc/25/85/26/404258526.db2.gz JEEIJGHVPIGTAX-DOTOQJQBSA-N 1 3 322.497 2.129 20 0 DEADHO CN(C)CCN(C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000363937046 404258534 /nfs/dbraw/zinc/25/85/34/404258534.db2.gz JEEIJGHVPIGTAX-DOTOQJQBSA-N 1 3 322.497 2.129 20 0 DEADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccc(OC)c(O)c1 ZINC000290854788 404338310 /nfs/dbraw/zinc/33/83/10/404338310.db2.gz ZUFJFDPDBKJIRA-HIFRSBDPSA-N 1 3 310.438 2.408 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)N2CCN(C)CC[C@H]2C)CC1 ZINC000355482539 404342246 /nfs/dbraw/zinc/34/22/46/404342246.db2.gz PLHXEAWRZLKTKA-QGZVFWFLSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1N(C)CCCC1(C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000344715646 404325423 /nfs/dbraw/zinc/32/54/23/404325423.db2.gz PACOKGZKZDJKPO-XUWVNRHRSA-N 1 3 309.498 2.484 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1N(C)CCCC1(C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000344715646 404325427 /nfs/dbraw/zinc/32/54/27/404325427.db2.gz PACOKGZKZDJKPO-XUWVNRHRSA-N 1 3 309.498 2.484 20 0 DEADHO NC1(C[NH2+]CCc2nc(-c3cccc(Cl)c3)no2)CCC1 ZINC000342126084 404384722 /nfs/dbraw/zinc/38/47/22/404384722.db2.gz LOXOKPSCAMGEJU-UHFFFAOYSA-N 1 3 306.797 2.404 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352653383 404518394 /nfs/dbraw/zinc/51/83/94/404518394.db2.gz UENJINMIXLSDNX-WMZOPIPTSA-N 1 3 317.477 2.355 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352653383 404518406 /nfs/dbraw/zinc/51/84/06/404518406.db2.gz UENJINMIXLSDNX-WMZOPIPTSA-N 1 3 317.477 2.355 20 0 DEADHO C[C@@H]1CN(c2ccccc2C[N@@H+]2CC[C@H](CN(C)C)C2)CCO1 ZINC000297286065 404537040 /nfs/dbraw/zinc/53/70/40/404537040.db2.gz ANNPUYNXLYGION-IAGOWNOFSA-N 1 3 317.477 2.295 20 0 DEADHO C[C@@H]1CN(c2ccccc2C[N@H+]2CC[C@H](CN(C)C)C2)CCO1 ZINC000297286065 404537044 /nfs/dbraw/zinc/53/70/44/404537044.db2.gz ANNPUYNXLYGION-IAGOWNOFSA-N 1 3 317.477 2.295 20 0 DEADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C1CCN(C2CC2)CC1 ZINC000338796409 404552493 /nfs/dbraw/zinc/55/24/93/404552493.db2.gz QPOUAKGESGQGKU-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C1CCN(C2CC2)CC1 ZINC000338796409 404552498 /nfs/dbraw/zinc/55/24/98/404552498.db2.gz QPOUAKGESGQGKU-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(C(=O)N(C)C)cc2)C1 ZINC000292067061 404654451 /nfs/dbraw/zinc/65/44/51/404654451.db2.gz HBUXFJHIIIQJCI-LSDHHAIUSA-N 1 3 303.450 2.381 20 0 DEADHO CC[NH+]1CCC(CCNCc2ncc(CN(C)C)s2)CC1 ZINC000352791583 404625589 /nfs/dbraw/zinc/62/55/89/404625589.db2.gz PYPQYMAZWOHEAT-UHFFFAOYSA-N 1 3 310.511 2.416 20 0 DEADHO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCCC3(CC[NH+](C)CC3)C2)C1 ZINC000374074578 404685587 /nfs/dbraw/zinc/68/55/87/404685587.db2.gz LUXIREJUWZGRBG-CALCHBBNSA-N 1 3 321.509 2.299 20 0 DEADHO CC(=O)NCCN(Cc1ccc(C)s1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414770480 404728955 /nfs/dbraw/zinc/72/89/55/404728955.db2.gz YCIIAOMTKLIRPI-BBRMVZONSA-N 1 3 323.506 2.383 20 0 DEADHO C[C@@H](CC1CCOCC1)C[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000414773574 404730514 /nfs/dbraw/zinc/73/05/14/404730514.db2.gz DNUFASVAUIFMAX-DOTOQJQBSA-N 1 3 310.482 2.127 20 0 DEADHO C[C@@H](CC1CCOCC1)C[N@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000414773574 404730516 /nfs/dbraw/zinc/73/05/16/404730516.db2.gz DNUFASVAUIFMAX-DOTOQJQBSA-N 1 3 310.482 2.127 20 0 DEADHO CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CCCN(C)CC1)c1ccco1 ZINC000357521294 404736006 /nfs/dbraw/zinc/73/60/06/404736006.db2.gz QROKMBVTWZGOAO-GJZGRUSLSA-N 1 3 322.453 2.056 20 0 DEADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@@H](C[NH3+])C1CC1 ZINC000414807892 404739335 /nfs/dbraw/zinc/73/93/35/404739335.db2.gz RRLIVQCBNOINPG-LRDDRELGSA-N 1 3 323.868 2.404 20 0 DEADHO CCCC[C@H](C[NH3+])N[C@H](C)Cn1cc(Br)cn1 ZINC000414811489 404740172 /nfs/dbraw/zinc/74/01/72/404740172.db2.gz JFYUUXZYZJOWPZ-ZYHUDNBSSA-N 1 3 303.248 2.141 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCCCN1CC ZINC000357816689 404744681 /nfs/dbraw/zinc/74/46/81/404744681.db2.gz ZLCHGKNLRSAORM-CVEARBPZSA-N 1 3 312.502 2.280 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCCCN1CC ZINC000357816689 404744684 /nfs/dbraw/zinc/74/46/84/404744684.db2.gz ZLCHGKNLRSAORM-CVEARBPZSA-N 1 3 312.502 2.280 20 0 DEADHO C[C@@H](Cn1cc(Br)cn1)[NH2+]CC1(N)CCCCC1 ZINC000414837382 404745387 /nfs/dbraw/zinc/74/53/87/404745387.db2.gz HCNOHKYSZYJFEK-NSHDSACASA-N 1 3 315.259 2.285 20 0 DEADHO CC(C)N1CCc2nc(CNCC[C@H]3CCC[NH2+]C3)sc2C1 ZINC000414838871 404745967 /nfs/dbraw/zinc/74/59/67/404745967.db2.gz LSJSJZBAEAGJIG-CQSZACIVSA-N 1 3 322.522 2.389 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCCCN1CC ZINC000353114827 404746332 /nfs/dbraw/zinc/74/63/32/404746332.db2.gz UASVOALMVMKIBM-HOTGVXAUSA-N 1 3 310.486 2.034 20 0 DEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCCCN1CC ZINC000353114827 404746336 /nfs/dbraw/zinc/74/63/36/404746336.db2.gz UASVOALMVMKIBM-HOTGVXAUSA-N 1 3 310.486 2.034 20 0 DEADHO COc1cc2c(c(CNCC[C@@H]3CCC[NH2+]C3)c1)O[C@H](C)C2 ZINC000414849256 404748310 /nfs/dbraw/zinc/74/83/10/404748310.db2.gz LJCKZLVHIGVJJG-KGLIPLIRSA-N 1 3 304.434 2.498 20 0 DEADHO COc1cc(OC)c(CNCC[C@@H]2CCC[NH2+]C2)c(OC)c1 ZINC000414852860 404748574 /nfs/dbraw/zinc/74/85/74/404748574.db2.gz QRNAWMQQJHEFNF-ZDUSSCGKSA-N 1 3 308.422 2.192 20 0 DEADHO CC(C)C[C@@H](C[NH3+])N[C@H](C)CC(=O)NCCc1ccccc1 ZINC000414855884 404749256 /nfs/dbraw/zinc/74/92/56/404749256.db2.gz XTOBGDXLPYOVOL-WBVHZDCISA-N 1 3 305.466 2.087 20 0 DEADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000358519962 404764912 /nfs/dbraw/zinc/76/49/12/404764912.db2.gz ULITUBUOKCKBDT-IRXDYDNUSA-N 1 3 319.493 2.243 20 0 DEADHO Cc1ccc(C[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C(C)C)s1 ZINC000414688598 404708804 /nfs/dbraw/zinc/70/88/04/404708804.db2.gz JLGJWXJKRYTDFK-HNNXBMFYSA-N 1 3 323.506 2.464 20 0 DEADHO Cc1ccc(C[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C(C)C)s1 ZINC000414688598 404708808 /nfs/dbraw/zinc/70/88/08/404708808.db2.gz JLGJWXJKRYTDFK-HNNXBMFYSA-N 1 3 323.506 2.464 20 0 DEADHO Cc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCCN(C(=O)CN)C2)s1 ZINC000414696353 404710224 /nfs/dbraw/zinc/71/02/24/404710224.db2.gz PGGQMGFMKSSIJF-GJZGRUSLSA-N 1 3 321.490 2.391 20 0 DEADHO Cc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCCN(C(=O)CN)C2)s1 ZINC000414696353 404710227 /nfs/dbraw/zinc/71/02/27/404710227.db2.gz PGGQMGFMKSSIJF-GJZGRUSLSA-N 1 3 321.490 2.391 20 0 DEADHO COC[C@]1(CN[C@@H]2CCN([C@H](C)c3ccccc3)C2)CCC[NH2+]1 ZINC000414936329 404770343 /nfs/dbraw/zinc/77/03/43/404770343.db2.gz BZNODVYAIOHAIO-BHIYHBOVSA-N 1 3 317.477 2.180 20 0 DEADHO Cc1ccc(C(=O)N2CCN(C[C@@H]3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC000414736026 404720466 /nfs/dbraw/zinc/72/04/66/404720466.db2.gz CNFJZTIAZQTDIS-IAGOWNOFSA-N 1 3 315.461 2.141 20 0 DEADHO Cc1ccc(C(=O)N2CCN(C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000414736022 404720660 /nfs/dbraw/zinc/72/06/60/404720660.db2.gz CNFJZTIAZQTDIS-DLBZAZTESA-N 1 3 315.461 2.141 20 0 DEADHO CC(=O)NCCN(Cc1ccsc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414767986 404728129 /nfs/dbraw/zinc/72/81/29/404728129.db2.gz ULOWIXYABWRUOO-HIFRSBDPSA-N 1 3 309.479 2.074 20 0 DEADHO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@H](O)CN1CCCC1 ZINC000353227156 404775777 /nfs/dbraw/zinc/77/57/77/404775777.db2.gz AMFQIPCMWPWAQL-KBXCAEBGSA-N 1 3 318.461 2.464 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H]2CC[C@@H](O)C2)CC1 ZINC000353231651 404776634 /nfs/dbraw/zinc/77/66/34/404776634.db2.gz BXLMYECWZAMDKF-FUHWJXTLSA-N 1 3 317.477 2.079 20 0 DEADHO c1cnn(CCN2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000377338595 404836249 /nfs/dbraw/zinc/83/62/49/404836249.db2.gz ZILWHRMQBIKWGJ-RTBURBONSA-N 1 3 310.445 2.337 20 0 DEADHO c1cnn(CCN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000377338595 404836250 /nfs/dbraw/zinc/83/62/50/404836250.db2.gz ZILWHRMQBIKWGJ-RTBURBONSA-N 1 3 310.445 2.337 20 0 DEADHO CC[C@H](N)C[NH2+]Cc1ccc(OC)c2oc(C(=O)OC)cc21 ZINC000414979371 404780457 /nfs/dbraw/zinc/78/04/57/404780457.db2.gz NTOYHOUOTKUJJD-NSHDSACASA-N 1 3 306.362 2.055 20 0 DEADHO c1ncn(-c2ccc(CN3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc2)n1 ZINC000415033751 404792279 /nfs/dbraw/zinc/79/22/79/404792279.db2.gz BZCQWCDVASBNCJ-AEFFLSMTSA-N 1 3 311.433 2.231 20 0 DEADHO CC(C)N1CCc2nc(CN[C@H]3CC[C@H](C[NH3+])C3)sc2C1 ZINC000415040742 404794162 /nfs/dbraw/zinc/79/41/62/404794162.db2.gz PHIIKHCYMMMBRD-STQMWFEESA-N 1 3 308.495 2.127 20 0 DEADHO NCC(=O)N1CCC[C@H](C[NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC000415081219 404803371 /nfs/dbraw/zinc/80/33/71/404803371.db2.gz KBQBDWRQZQEZSZ-WBMJQRKESA-N 1 3 321.852 2.114 20 0 DEADHO c1sc(CCNC[C@H]2CCC[NH2+]C2)nc1-c1ccccn1 ZINC000415098842 404807317 /nfs/dbraw/zinc/80/73/17/404807317.db2.gz FXKZSLYBWPYARD-ZDUSSCGKSA-N 1 3 302.447 2.337 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000359917037 404809120 /nfs/dbraw/zinc/80/91/20/404809120.db2.gz LDSWWWZJIJKEHL-HRCADAONSA-N 1 3 312.502 2.088 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000359917037 404809123 /nfs/dbraw/zinc/80/91/23/404809123.db2.gz LDSWWWZJIJKEHL-HRCADAONSA-N 1 3 312.502 2.088 20 0 DEADHO NCc1cn([C@H]2CCC[N@@H+](Cc3cccc4cccnc43)C2)nn1 ZINC000415135482 404815813 /nfs/dbraw/zinc/81/58/13/404815813.db2.gz WRUZPQGLMQDKML-KRWDZBQOSA-N 1 3 322.416 2.122 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCCN1CCCC(C)(C)C1 ZINC000360126295 404819087 /nfs/dbraw/zinc/81/90/87/404819087.db2.gz SLJBGSGGHJCFLC-OAHLLOKOSA-N 1 3 312.502 2.136 20 0 DEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCCN1CCCC(C)(C)C1 ZINC000360126295 404819090 /nfs/dbraw/zinc/81/90/90/404819090.db2.gz SLJBGSGGHJCFLC-OAHLLOKOSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)N1CCCCCC1 ZINC000360137670 404819804 /nfs/dbraw/zinc/81/98/04/404819804.db2.gz WAHYRMYKAZOEFB-DLBZAZTESA-N 1 3 307.482 2.338 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000353427436 404828647 /nfs/dbraw/zinc/82/86/47/404828647.db2.gz LCQVKFYOISQAHY-OLZOCXBDSA-N 1 3 315.339 2.491 20 0 DEADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@@]2(O)CCSC2)CC1 ZINC000358768222 404775225 /nfs/dbraw/zinc/77/52/25/404775225.db2.gz FXVDGGDUFCFBON-OIISXLGYSA-N 1 3 312.523 2.487 20 0 DEADHO CN1CC[C@H]([NH2+]Cc2cccc(N3CCC3=O)c2)[C@@H]2CCC[C@H]21 ZINC000353589482 404873957 /nfs/dbraw/zinc/87/39/57/404873957.db2.gz GTETXARGLHENJG-OKZBNKHCSA-N 1 3 313.445 2.386 20 0 DEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000423838486 404883270 /nfs/dbraw/zinc/88/32/70/404883270.db2.gz CHVIRYZGHVYAGB-CZUORRHYSA-N 1 3 318.465 2.097 20 0 DEADHO C[C@H](O)C[C@H](C)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000361028354 404883964 /nfs/dbraw/zinc/88/39/64/404883964.db2.gz FKERNDWAYGRPNZ-HOTGVXAUSA-N 1 3 319.493 2.466 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+][C@H](C)C[C@H](C)O)CC1 ZINC000361030492 404885331 /nfs/dbraw/zinc/88/53/31/404885331.db2.gz UMQQRIATPZULSV-CVEARBPZSA-N 1 3 305.466 2.078 20 0 DEADHO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2Cc2cccc(C)c2)C1 ZINC000378185687 404885793 /nfs/dbraw/zinc/88/57/93/404885793.db2.gz YAOVVXUIZZOAMB-MSOLQXFVSA-N 1 3 315.461 2.170 20 0 DEADHO Cc1nc([C@@H](C)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cs1 ZINC000378198086 404891019 /nfs/dbraw/zinc/89/10/19/404891019.db2.gz CPPOPIOGKDEVMW-TZMCWYRMSA-N 1 3 308.495 2.271 20 0 DEADHO Cc1nc([C@@H](C)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cs1 ZINC000378198086 404891025 /nfs/dbraw/zinc/89/10/25/404891025.db2.gz CPPOPIOGKDEVMW-TZMCWYRMSA-N 1 3 308.495 2.271 20 0 DEADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(N)C(F)(F)F ZINC000353473210 404840429 /nfs/dbraw/zinc/84/04/29/404840429.db2.gz UWLOBEICVVETRE-ZDUSSCGKSA-N 1 3 317.355 2.033 20 0 DEADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(N)C(F)(F)F ZINC000353473210 404840432 /nfs/dbraw/zinc/84/04/32/404840432.db2.gz UWLOBEICVVETRE-ZDUSSCGKSA-N 1 3 317.355 2.033 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000416896780 404955215 /nfs/dbraw/zinc/95/52/15/404955215.db2.gz WOUBFHLNKPMIIJ-IRXDYDNUSA-N 1 3 318.465 2.065 20 0 DEADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000361174199 404958353 /nfs/dbraw/zinc/95/83/53/404958353.db2.gz UTARDVHHINNXJJ-VQIMIIECSA-N 1 3 319.493 2.099 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](C)N(C)C2CC2)[C@@H](C)C1 ZINC000361182686 404961607 /nfs/dbraw/zinc/96/16/07/404961607.db2.gz GNKLIKKSFKNRAA-JZXOWHBKSA-N 1 3 311.514 2.196 20 0 DEADHO CCN(C)CCNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000367199658 404961805 /nfs/dbraw/zinc/96/18/05/404961805.db2.gz LBMMQIBRYGZJKJ-MRXNPFEDSA-N 1 3 310.486 2.034 20 0 DEADHO CCN(C)CCNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000367199658 404961810 /nfs/dbraw/zinc/96/18/10/404961810.db2.gz LBMMQIBRYGZJKJ-MRXNPFEDSA-N 1 3 310.486 2.034 20 0 DEADHO C[N@H+](CCCCNC(=O)Nc1ccc2c(c1)CNCC2)C1CC1 ZINC000415897621 404965495 /nfs/dbraw/zinc/96/54/95/404965495.db2.gz PYKMDKVRJLOLQK-UHFFFAOYSA-N 1 3 316.449 2.328 20 0 DEADHO C[N@@H+](CCCCNC(=O)Nc1ccc2c(c1)CNCC2)C1CC1 ZINC000415897621 404965501 /nfs/dbraw/zinc/96/55/01/404965501.db2.gz PYKMDKVRJLOLQK-UHFFFAOYSA-N 1 3 316.449 2.328 20 0 DEADHO [NH3+][C@H]1CCCCCC[C@H]1C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000361098292 404917171 /nfs/dbraw/zinc/91/71/71/404917171.db2.gz SEALQXAKSCIPHC-CVEARBPZSA-N 1 3 317.433 2.405 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)NC1CC[NH2+]CC1)c1ccccc1 ZINC000416833086 404927690 /nfs/dbraw/zinc/92/76/90/404927690.db2.gz CENIZMFRJQXESJ-KRWDZBQOSA-N 1 3 318.465 2.121 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000416838360 404929492 /nfs/dbraw/zinc/92/94/92/404929492.db2.gz IZFDWCIMBFPFNB-IAGOWNOFSA-N 1 3 318.465 2.202 20 0 DEADHO CC(C)[C@@H]([NH3+])CNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000416849911 404935525 /nfs/dbraw/zinc/93/55/25/404935525.db2.gz YSHTWOIQYXSLJP-KBPBESRZSA-N 1 3 324.494 2.168 20 0 DEADHO CN(C)[C@@H](CC(=O)NCCC[NH+]1CCCC1)c1ccccc1 ZINC000416118617 405027636 /nfs/dbraw/zinc/02/76/36/405027636.db2.gz ADKRBTKGXQXHBJ-KRWDZBQOSA-N 1 3 303.450 2.282 20 0 DEADHO C[C@@H]([NH2+]C[C@H](O)CN1CCC(C)CC1)c1ccc2c(c1)COC2 ZINC000361344283 405031846 /nfs/dbraw/zinc/03/18/46/405031846.db2.gz CVEFFWFKJUIKDX-BEFAXECRSA-N 1 3 318.461 2.460 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000424040917 404980981 /nfs/dbraw/zinc/98/09/81/404980981.db2.gz MMAWTVJYLGDKJQ-HZPDHXFCSA-N 1 3 307.482 2.097 20 0 DEADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC2(CC[NH2+]2)CC1 ZINC000424051169 404984480 /nfs/dbraw/zinc/98/44/80/404984480.db2.gz IDZBZLZAIMKIKF-UHFFFAOYSA-N 1 3 313.445 2.251 20 0 DEADHO CCN(CC)[C@H](CNC(=O)NCC[C@H](C)[NH3+])c1ccsc1 ZINC000417010930 405000614 /nfs/dbraw/zinc/00/06/14/405000614.db2.gz QSVRXJJOVZPNTM-GXTWGEPZSA-N 1 3 312.483 2.168 20 0 DEADHO Cc1ccc(-c2n[nH]cc2CNCCOCC[NH+](C)C)cc1 ZINC000354202455 405094662 /nfs/dbraw/zinc/09/46/62/405094662.db2.gz CKFHWHOLDZIUHC-UHFFFAOYSA-N 1 3 302.422 2.053 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000389978544 405043590 /nfs/dbraw/zinc/04/35/90/405043590.db2.gz HCSBEGIGOCQTNU-QAPCUYQASA-N 1 3 315.461 2.013 20 0 DEADHO Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000391147264 405048672 /nfs/dbraw/zinc/04/86/72/405048672.db2.gz VAXJTJSWEFAVBH-FUHWJXTLSA-N 1 3 318.461 2.117 20 0 DEADHO Cc1cccc(C)c1OC[C@H](O)CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000391147264 405048676 /nfs/dbraw/zinc/04/86/76/405048676.db2.gz VAXJTJSWEFAVBH-FUHWJXTLSA-N 1 3 318.461 2.117 20 0 DEADHO Cc1cccc(C)c1OC[C@H](O)CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000391147264 405048682 /nfs/dbraw/zinc/04/86/82/405048682.db2.gz VAXJTJSWEFAVBH-FUHWJXTLSA-N 1 3 318.461 2.117 20 0 DEADHO C[C@@H](C(=O)NCC(C)(C)C[NH+]1CCCC1)N1[C@H](C)CC[C@@H]1C ZINC000361386819 405050867 /nfs/dbraw/zinc/05/08/67/405050867.db2.gz PDGKXBNDNSTNES-XHSDSOJGSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H]1CC2(CN1CC(=O)N1[C@H](C)CCC[C@H]1C)CC[NH2+]CC2 ZINC000424294447 405059649 /nfs/dbraw/zinc/05/96/49/405059649.db2.gz QKBDDNZDFMNFHD-BZUAXINKSA-N 1 3 307.482 2.240 20 0 DEADHO [NH3+]C[C@@H](CN1CCC[C@H](c2ncc[nH]2)C1)c1ccc(F)cc1 ZINC000424302691 405062609 /nfs/dbraw/zinc/06/26/09/405062609.db2.gz MKWCQMDRIIHMOW-GJZGRUSLSA-N 1 3 302.397 2.471 20 0 DEADHO NC[C@@H](C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1)c1ccc(F)cc1 ZINC000424302691 405062614 /nfs/dbraw/zinc/06/26/14/405062614.db2.gz MKWCQMDRIIHMOW-GJZGRUSLSA-N 1 3 302.397 2.471 20 0 DEADHO NC[C@@H](C[N@H+]1CCC[C@H](c2ncc[nH]2)C1)c1ccc(F)cc1 ZINC000424302691 405062622 /nfs/dbraw/zinc/06/26/22/405062622.db2.gz MKWCQMDRIIHMOW-GJZGRUSLSA-N 1 3 302.397 2.471 20 0 DEADHO O=C1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CN1 ZINC000354166930 405079034 /nfs/dbraw/zinc/07/90/34/405079034.db2.gz ZQIAKBRLZAOIFX-CSNJMZFVSA-N 1 3 313.445 2.050 20 0 DEADHO O=C1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CN1 ZINC000354166930 405079039 /nfs/dbraw/zinc/07/90/39/405079039.db2.gz ZQIAKBRLZAOIFX-CSNJMZFVSA-N 1 3 313.445 2.050 20 0 DEADHO CC[C@@H](C)N[C@H](CNC(=O)NC1(C)CC[NH2+]CC1)c1ccco1 ZINC000418166767 405114473 /nfs/dbraw/zinc/11/44/73/405114473.db2.gz LSJKNDSNHNHPCH-ZIAGYGMSSA-N 1 3 322.453 2.150 20 0 DEADHO CC(C)C1CCC(N2CCN(C(=O)N[C@H](C)CC[NH3+])CC2)CC1 ZINC000418567918 405133043 /nfs/dbraw/zinc/13/30/43/405133043.db2.gz XCMBTUZVKVMKON-KLAILNCOSA-N 1 3 324.513 2.266 20 0 DEADHO C[C@H]1CCN(C)CCN1C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418681654 405164556 /nfs/dbraw/zinc/16/45/56/405164556.db2.gz VNWUHBQPVKRDJU-RDJZCZTQSA-N 1 3 318.465 2.202 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000418803082 405205840 /nfs/dbraw/zinc/20/58/40/405205840.db2.gz YOOBMHGDRYONMF-HZPDHXFCSA-N 1 3 310.486 2.021 20 0 DEADHO C[N@H+](CCCCN[C@@H](Cc1ccc(Cl)cc1)C(N)=O)C1CC1 ZINC000419305043 405236841 /nfs/dbraw/zinc/23/68/41/405236841.db2.gz VXJJYGAEGGBAHM-INIZCTEOSA-N 1 3 323.868 2.200 20 0 DEADHO C[N@@H+](CCCCN[C@@H](Cc1ccc(Cl)cc1)C(N)=O)C1CC1 ZINC000419305043 405236845 /nfs/dbraw/zinc/23/68/45/405236845.db2.gz VXJJYGAEGGBAHM-INIZCTEOSA-N 1 3 323.868 2.200 20 0 DEADHO COc1ccc([C@@H](C[NH3+])CN(C[C@@H]2CCOC2)C2CC2)cc1 ZINC000420322872 405319581 /nfs/dbraw/zinc/31/95/81/405319581.db2.gz SPDDODBZJVFNJW-HOCLYGCPSA-N 1 3 304.434 2.238 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN2CCC(c3c[nH]cn3)CC2)cc1 ZINC000420328286 405321413 /nfs/dbraw/zinc/32/14/13/405321413.db2.gz ZWBGZERYVSZAID-MRXNPFEDSA-N 1 3 314.433 2.340 20 0 DEADHO COc1ccc([C@H](CN)C[NH+]2CCC(c3c[nH]cn3)CC2)cc1 ZINC000420328286 405321414 /nfs/dbraw/zinc/32/14/14/405321414.db2.gz ZWBGZERYVSZAID-MRXNPFEDSA-N 1 3 314.433 2.340 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420330652 405322341 /nfs/dbraw/zinc/32/23/41/405322341.db2.gz BBGGPOSJGCALLU-TWMKSMIVSA-N 1 3 307.482 2.097 20 0 DEADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)NCCCC1CCCCC1 ZINC000420336406 405324318 /nfs/dbraw/zinc/32/43/18/405324318.db2.gz MHQMKYQYMUAVIP-HDICACEKSA-N 1 3 321.509 2.395 20 0 DEADHO Cc1c(F)cccc1NC(=O)CCN[C@H]1CC[NH2+]CC1(C)C ZINC000420352506 405328921 /nfs/dbraw/zinc/32/89/21/405328921.db2.gz AMDKFEQUGAJGEI-HNNXBMFYSA-N 1 3 307.413 2.440 20 0 DEADHO Cc1c(F)cccc1NC(=O)CC[NH2+][C@H]1CCNCC1(C)C ZINC000420352506 405328924 /nfs/dbraw/zinc/32/89/24/405328924.db2.gz AMDKFEQUGAJGEI-HNNXBMFYSA-N 1 3 307.413 2.440 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)[N@@H+]1CCCC[C@H]1C ZINC000440903721 405330622 /nfs/dbraw/zinc/33/06/22/405330622.db2.gz ATTLSHCELJSQME-FPCVCCKLSA-N 1 3 322.497 2.174 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)[N@H+]1CCCC[C@H]1C ZINC000440903721 405330624 /nfs/dbraw/zinc/33/06/24/405330624.db2.gz ATTLSHCELJSQME-FPCVCCKLSA-N 1 3 322.497 2.174 20 0 DEADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(CCOc2cccc(F)c2)CC1 ZINC000420388605 405341134 /nfs/dbraw/zinc/34/11/34/405341134.db2.gz XDZXXFYDNQOCOD-ROUUACIJSA-N 1 3 322.424 2.423 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NCCCCC[NH+]1CCCC1 ZINC000454492941 405354066 /nfs/dbraw/zinc/35/40/66/405354066.db2.gz VKTQVTVBXDXHBS-QGZVFWFLSA-N 1 3 324.513 2.426 20 0 DEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N(C)C[C@H]1CCCN1C ZINC000420845324 405394976 /nfs/dbraw/zinc/39/49/76/405394976.db2.gz OLMNKPCPDSZPNM-DLBZAZTESA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@@H+]1CC[C@@H](NCCOCC(F)(F)C(F)F)[C@@H](C)C1 ZINC000446974521 405398184 /nfs/dbraw/zinc/39/81/84/405398184.db2.gz JENVKGCOEAQMLX-WDEREUQCSA-N 1 3 300.340 2.223 20 0 DEADHO CC[N@H+]1CC[C@@H](NCCOCC(F)(F)C(F)F)[C@@H](C)C1 ZINC000446974521 405398186 /nfs/dbraw/zinc/39/81/86/405398186.db2.gz JENVKGCOEAQMLX-WDEREUQCSA-N 1 3 300.340 2.223 20 0 DEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000454642074 405375441 /nfs/dbraw/zinc/37/54/41/405375441.db2.gz LHEBVUCZDZRHTD-IKGGRYGDSA-N 1 3 324.513 2.279 20 0 DEADHO CC[C@H]1CCC[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000448838741 405454516 /nfs/dbraw/zinc/45/45/16/405454516.db2.gz WZCYMHOMZSPHHP-MAUKXSAKSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCCN(CCc2nc(-c3ccccc3)no2)C1 ZINC000430564252 405457927 /nfs/dbraw/zinc/45/79/27/405457927.db2.gz LCOCIMIZZOGCFK-DZGCQCFKSA-N 1 3 300.406 2.338 20 0 DEADHO CC(C)[C@H]([NH3+])CCN(C)CCC(=O)N1CCc2sccc2C1 ZINC000430565095 405458073 /nfs/dbraw/zinc/45/80/73/405458073.db2.gz OJHWKEDTYULSSQ-OAHLLOKOSA-N 1 3 323.506 2.328 20 0 DEADHO COc1ccc(OCCCN2CCC(OCCC[NH3+])CC2)cc1 ZINC000430595066 405463647 /nfs/dbraw/zinc/46/36/47/405463647.db2.gz XCHSJUBUBHNJCX-UHFFFAOYSA-N 1 3 322.449 2.294 20 0 DEADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CC3(CC(N)=O)CC3)CC2)C1 ZINC000421349318 405466801 /nfs/dbraw/zinc/46/68/01/405466801.db2.gz IHNHZVLUJLKNOM-ZBFHGGJFSA-N 1 3 307.482 2.275 20 0 DEADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC3(CC(N)=O)CC3)CC2)C1 ZINC000421349318 405466804 /nfs/dbraw/zinc/46/68/04/405466804.db2.gz IHNHZVLUJLKNOM-ZBFHGGJFSA-N 1 3 307.482 2.275 20 0 DEADHO CCN1CCC([N@@H+]2CCCN(Cc3ccn(C)c3)CC2)CC1 ZINC000421378259 405479780 /nfs/dbraw/zinc/47/97/80/405479780.db2.gz SMKCLROMWVKJHZ-UHFFFAOYSA-N 1 3 304.482 2.017 20 0 DEADHO CCN1CCC([N@H+]2CCCN(Cc3ccn(C)c3)CC2)CC1 ZINC000421378259 405479787 /nfs/dbraw/zinc/47/97/87/405479787.db2.gz SMKCLROMWVKJHZ-UHFFFAOYSA-N 1 3 304.482 2.017 20 0 DEADHO CC[NH+]1CCC(N2CCCN(Cc3ccn(C)c3)CC2)CC1 ZINC000421378259 405479792 /nfs/dbraw/zinc/47/97/92/405479792.db2.gz SMKCLROMWVKJHZ-UHFFFAOYSA-N 1 3 304.482 2.017 20 0 DEADHO C[C@H](CC[NH2+]C[C@@H](O)COc1ccccc1F)N1CCCCC1 ZINC000577723414 405498715 /nfs/dbraw/zinc/49/87/15/405498715.db2.gz XIWAKNUCVGIKDC-HZPDHXFCSA-N 1 3 324.440 2.420 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)CCCC[NH+](C)C)N(C)C)cc1 ZINC000556935630 405559761 /nfs/dbraw/zinc/55/97/61/405559761.db2.gz DXLRZHILZOADSI-QGZVFWFLSA-N 1 3 305.466 2.446 20 0 DEADHO C[C@H](CC(=O)NC[C@H](C)N1CCCC[C@H]1C)C1CC[NH2+]CC1 ZINC000430746125 405501649 /nfs/dbraw/zinc/50/16/49/405501649.db2.gz BGNXTRVBBWEVLN-OAGGEKHMSA-N 1 3 309.498 2.391 20 0 DEADHO O=C(N[C@H]1CC[NH2+]C12CCC2)c1cccc(CN2CCCC2)c1 ZINC000638503717 405512163 /nfs/dbraw/zinc/51/21/63/405512163.db2.gz AIFQDBVTALMGBB-KRWDZBQOSA-N 1 3 313.445 2.297 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000431037909 405564422 /nfs/dbraw/zinc/56/44/22/405564422.db2.gz AMUQVPLGONDVDG-WMZOPIPTSA-N 1 3 317.477 2.498 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000431037909 405564428 /nfs/dbraw/zinc/56/44/28/405564428.db2.gz AMUQVPLGONDVDG-WMZOPIPTSA-N 1 3 317.477 2.498 20 0 DEADHO Cc1ccc(CNC(=O)[C@@H](C)N2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000430924984 405529410 /nfs/dbraw/zinc/52/94/10/405529410.db2.gz CDVJSOSSGKHHRA-LSDHHAIUSA-N 1 3 303.450 2.059 20 0 DEADHO C[C@@H]([NH3+])C1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000430963045 405549519 /nfs/dbraw/zinc/54/95/19/405549519.db2.gz RXVNVDIPMRMWSR-RDBSUJKOSA-N 1 3 321.440 2.451 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000458703578 405551555 /nfs/dbraw/zinc/55/15/55/405551555.db2.gz HUSZJDDVQBQCHY-SJORKVTESA-N 1 3 322.497 2.127 20 0 DEADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000458703578 405551558 /nfs/dbraw/zinc/55/15/58/405551558.db2.gz HUSZJDDVQBQCHY-SJORKVTESA-N 1 3 322.497 2.127 20 0 DEADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000638672244 405608867 /nfs/dbraw/zinc/60/88/67/405608867.db2.gz UAGVJXCHOXGJHC-YOEHRIQHSA-N 1 3 303.406 2.015 20 0 DEADHO C[C@@H](CC[NH2+]C[C@H](O)COCc1ccccc1)N1CCCCC1 ZINC000568622135 292354803 /nfs/dbraw/zinc/35/48/03/292354803.db2.gz YFYVWJAHWIICBL-HKUYNNGSSA-N 1 3 320.477 2.418 20 0 DEADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](CN)c2ccccc2)C1 ZINC000431061246 405569373 /nfs/dbraw/zinc/56/93/73/405569373.db2.gz JNHPLRXPOJROEF-DOTOQJQBSA-N 1 3 317.477 2.356 20 0 DEADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](CN)c2ccccc2)C1 ZINC000431061246 405569379 /nfs/dbraw/zinc/56/93/79/405569379.db2.gz JNHPLRXPOJROEF-DOTOQJQBSA-N 1 3 317.477 2.356 20 0 DEADHO CCC[N@H+](CCc1nc2ccccc2c(=O)[nH]1)C1CCNCC1 ZINC000431080197 405573571 /nfs/dbraw/zinc/57/35/71/405573571.db2.gz CKBFHNAYXBKQBI-UHFFFAOYSA-N 1 3 314.433 2.342 20 0 DEADHO CCC[N@@H+](CCc1nc2ccccc2c(=O)[nH]1)C1CCNCC1 ZINC000431080197 405573582 /nfs/dbraw/zinc/57/35/82/405573582.db2.gz CKBFHNAYXBKQBI-UHFFFAOYSA-N 1 3 314.433 2.342 20 0 DEADHO CSc1ccc([C@H](CNC(=O)/C=C\C[NH+](C)C)N(C)C)cc1 ZINC000493842213 405586956 /nfs/dbraw/zinc/58/69/56/405586956.db2.gz YUEPLDNRPQHURT-WLMCBFPDSA-N 1 3 321.490 2.245 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000458796985 405598060 /nfs/dbraw/zinc/59/80/60/405598060.db2.gz DHXKIDMFLOQYGH-JKSUJKDBSA-N 1 3 324.513 2.233 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000458796985 405598061 /nfs/dbraw/zinc/59/80/61/405598061.db2.gz DHXKIDMFLOQYGH-JKSUJKDBSA-N 1 3 324.513 2.233 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000458796984 405598264 /nfs/dbraw/zinc/59/82/64/405598264.db2.gz DHXKIDMFLOQYGH-HZPDHXFCSA-N 1 3 324.513 2.233 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000458796984 405598269 /nfs/dbraw/zinc/59/82/69/405598269.db2.gz DHXKIDMFLOQYGH-HZPDHXFCSA-N 1 3 324.513 2.233 20 0 DEADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(C)CC1 ZINC000431563719 405643221 /nfs/dbraw/zinc/64/32/21/405643221.db2.gz IWBYVPQBQDZWMW-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCC1=CCN(C)CC1 ZINC000458933879 405661907 /nfs/dbraw/zinc/66/19/07/405661907.db2.gz IZHVFBNOGBNVDB-KRWDZBQOSA-N 1 3 322.497 2.058 20 0 DEADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H](C)C[C@H]2CCCC(=O)N2)C1 ZINC000638788462 405670322 /nfs/dbraw/zinc/67/03/22/405670322.db2.gz KIQWLNKWCFBMJH-GVDBMIGSSA-N 1 3 309.498 2.391 20 0 DEADHO CCC[NH+](CCC)CCCC(=O)N[C@@H]1CNCCC1(F)F ZINC000449669004 405676616 /nfs/dbraw/zinc/67/66/16/405676616.db2.gz UTQMBJFFJWDAIT-CYBMUJFWSA-N 1 3 305.413 2.002 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@H]1SCCc2ccccc21 ZINC000422842094 405686812 /nfs/dbraw/zinc/68/68/12/405686812.db2.gz XOSOAQXWYNHIQP-KKBVYLPWSA-N 1 3 306.475 2.359 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C[C@H]1SCCc2ccccc21 ZINC000422842094 405686818 /nfs/dbraw/zinc/68/68/18/405686818.db2.gz XOSOAQXWYNHIQP-KKBVYLPWSA-N 1 3 306.475 2.359 20 0 DEADHO C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)COC1CCOCC1 ZINC000422914980 405691069 /nfs/dbraw/zinc/69/10/69/405691069.db2.gz ACZXAMZAZATCHN-RCCFBDPRSA-N 1 3 310.482 2.473 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000638834509 405702144 /nfs/dbraw/zinc/70/21/44/405702144.db2.gz GVJACLJMRXRBGT-LAQRGFTBSA-N 1 3 317.477 2.244 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000638834509 405702149 /nfs/dbraw/zinc/70/21/49/405702149.db2.gz GVJACLJMRXRBGT-LAQRGFTBSA-N 1 3 317.477 2.244 20 0 DEADHO CC(C)N1CCN(c2cccc(N[C@H](C)C3C[NH2+]C3)c2)CC1 ZINC000423022625 405695969 /nfs/dbraw/zinc/69/59/69/405695969.db2.gz FSSYFWIWGASQPE-OAHLLOKOSA-N 1 3 302.466 2.237 20 0 DEADHO CCO[C@H]1C[C@@H](N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423168047 405710582 /nfs/dbraw/zinc/71/05/82/405710582.db2.gz UCHGFDDBBUHLLV-KPEUIFRASA-N 1 3 302.418 2.399 20 0 DEADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1(N)CCCC1 ZINC000638835367 405703257 /nfs/dbraw/zinc/70/32/57/405703257.db2.gz LFFNQJDKDOLALE-NVXWUHKLSA-N 1 3 315.461 2.142 20 0 DEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1(N)CCCC1 ZINC000638835367 405703262 /nfs/dbraw/zinc/70/32/62/405703262.db2.gz LFFNQJDKDOLALE-NVXWUHKLSA-N 1 3 315.461 2.142 20 0 DEADHO CC1(C)CCCN[C@@H]1C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000638861050 405722180 /nfs/dbraw/zinc/72/21/80/405722180.db2.gz MAJCPVOYXOXVKO-OAHLLOKOSA-N 1 3 307.482 2.242 20 0 DEADHO O=C(CNC1CC1)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638850008 405713781 /nfs/dbraw/zinc/71/37/81/405713781.db2.gz ALQZIINVXQNJHS-GOSISDBHSA-N 1 3 315.461 2.299 20 0 DEADHO O=C(CNC1CC1)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638850008 405713785 /nfs/dbraw/zinc/71/37/85/405713785.db2.gz ALQZIINVXQNJHS-GOSISDBHSA-N 1 3 315.461 2.299 20 0 DEADHO CCC(N)(CC)C[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000423288497 405749581 /nfs/dbraw/zinc/74/95/81/405749581.db2.gz SLVRDHWRXVNACR-LBPRGKRZSA-N 1 3 313.467 2.226 20 0 DEADHO CN(C(=O)CC1(C[NH3+])CC1)C1CCN(Cc2ccccc2)CC1 ZINC000423374697 405782204 /nfs/dbraw/zinc/78/22/04/405782204.db2.gz IATYTMMFHSDBFF-UHFFFAOYSA-N 1 3 315.461 2.238 20 0 DEADHO Cc1cccc([C@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000423395484 405788885 /nfs/dbraw/zinc/78/88/85/405788885.db2.gz SROWUFINQYFQHM-DZGCQCFKSA-N 1 3 315.383 2.482 20 0 DEADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CNC3)[C@H]1C ZINC000423395777 405789122 /nfs/dbraw/zinc/78/91/22/405789122.db2.gz RYGOORBYHJVBEF-RVSPLBMKSA-N 1 3 302.418 2.357 20 0 DEADHO CCO[C@H](CC[NH+](C)C)CN[C@H](c1nc[nH]n1)C1CCCCC1 ZINC000495054791 405806402 /nfs/dbraw/zinc/80/64/02/405806402.db2.gz WXAIZQROZANHNV-CVEARBPZSA-N 1 3 323.485 2.373 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CCC[NH2+][C@@H]3C)C2)cc1 ZINC000639001654 405812253 /nfs/dbraw/zinc/81/22/53/405812253.db2.gz LSURQSNZKNCCHR-BPQIPLTHSA-N 1 3 315.461 2.074 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC000636204692 405813561 /nfs/dbraw/zinc/81/35/61/405813561.db2.gz PNBMLELLWOEYCU-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO c1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C[C@H]2CNCCCO2)cc1 ZINC000423485753 405822633 /nfs/dbraw/zinc/82/26/33/405822633.db2.gz BFQGYBFUMGXBOS-JQHSSLGASA-N 1 3 304.434 2.122 20 0 DEADHO CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@@H]1CNCCCO1 ZINC000423495774 405826057 /nfs/dbraw/zinc/82/60/57/405826057.db2.gz VLPONVFIDICBON-ROUUACIJSA-N 1 3 306.450 2.196 20 0 DEADHO C[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423339849 405767019 /nfs/dbraw/zinc/76/70/19/405767019.db2.gz ZSNLBYBOKFGUPX-BDJLRTHQSA-N 1 3 302.422 2.358 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000433125929 405873522 /nfs/dbraw/zinc/87/35/22/405873522.db2.gz MLUBHDPSSPWJMM-PVAVHDDUSA-N 1 3 303.450 2.169 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000561159692 405898942 /nfs/dbraw/zinc/89/89/42/405898942.db2.gz RRHAZXKMIDCKNL-CVEARBPZSA-N 1 3 310.486 2.068 20 0 DEADHO [NH3+]CCCN(Cc1ccccc1)C(=O)C1CCN(C2CC2)CC1 ZINC000423620358 405880917 /nfs/dbraw/zinc/88/09/17/405880917.db2.gz JKWGFLVHUFSIQI-UHFFFAOYSA-N 1 3 315.461 2.238 20 0 DEADHO C[C@H](Cc1ccsc1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000560973735 405881722 /nfs/dbraw/zinc/88/17/22/405881722.db2.gz JOGCQDREIHTABO-DGCLKSJQSA-N 1 3 321.412 2.105 20 0 DEADHO CC(C)Oc1ccc2nccc(NC[C@@](C)(O)C[NH+](C)C)c2c1 ZINC000450408264 405882097 /nfs/dbraw/zinc/88/20/97/405882097.db2.gz SMNJLZZJLPLTII-GOSISDBHSA-N 1 3 317.433 2.168 20 0 DEADHO CC(C)N1CCCN(C(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000457536042 405888778 /nfs/dbraw/zinc/88/87/78/405888778.db2.gz YUDATBAMWUJCTE-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO O=C(NCCCCC[NH+]1CCCC1)NCCN1CCCCC1 ZINC000457542378 405890562 /nfs/dbraw/zinc/89/05/62/405890562.db2.gz MBSYOCMNGWPLOB-UHFFFAOYSA-N 1 3 310.486 2.038 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423647698 405893087 /nfs/dbraw/zinc/89/30/87/405893087.db2.gz YSKVINIKMGQCKU-INIZCTEOSA-N 1 3 315.461 2.210 20 0 DEADHO CCC(CC)[C@@H](CNC(=O)NC[C@H](C)N(C)C)[NH+]1CCCC1 ZINC000457626849 405925645 /nfs/dbraw/zinc/92/56/45/405925645.db2.gz UKJOTYFYIKAPAR-GOEBONIOSA-N 1 3 312.502 2.136 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000433367665 405935928 /nfs/dbraw/zinc/93/59/28/405935928.db2.gz VIPKTMFCTVQORA-JKSUJKDBSA-N 1 3 303.450 2.351 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000423748870 405944247 /nfs/dbraw/zinc/94/42/47/405944247.db2.gz VANNYOMKXCGBDW-KRWDZBQOSA-N 1 3 303.450 2.096 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C[NH2+]CC1CC1 ZINC000423748648 405944653 /nfs/dbraw/zinc/94/46/53/405944653.db2.gz USFYPHBLIOSYSR-UHFFFAOYSA-N 1 3 303.450 2.096 20 0 DEADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C[C@H](N)c1ccccc1 ZINC000423761420 405951578 /nfs/dbraw/zinc/95/15/78/405951578.db2.gz OQUSNZBUMQEIHW-PBHICJAKSA-N 1 3 303.450 2.265 20 0 DEADHO CN(CCC(=O)N[C@H]1CCCc2ccccc21)C1CC[NH2+]CC1 ZINC000433487147 405954254 /nfs/dbraw/zinc/95/42/54/405954254.db2.gz OTTGQCVHSODUTN-SFHVURJKSA-N 1 3 315.461 2.254 20 0 DEADHO C[N@H+](CCC(=O)N[C@H]1CCCc2ccccc21)C1CCNCC1 ZINC000433487147 405954260 /nfs/dbraw/zinc/95/42/60/405954260.db2.gz OTTGQCVHSODUTN-SFHVURJKSA-N 1 3 315.461 2.254 20 0 DEADHO C[N@@H+](CCC(=O)N[C@H]1CCCc2ccccc21)C1CCNCC1 ZINC000433487147 405954265 /nfs/dbraw/zinc/95/42/65/405954265.db2.gz OTTGQCVHSODUTN-SFHVURJKSA-N 1 3 315.461 2.254 20 0 DEADHO C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)[C@@H](N)c1ccccc1 ZINC000423775111 405957995 /nfs/dbraw/zinc/95/79/95/405957995.db2.gz LXQDLXXJHZFYNV-TXCZRRACSA-N 1 3 303.450 2.121 20 0 DEADHO C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)[C@@H](N)c1ccccc1 ZINC000423775111 405958004 /nfs/dbraw/zinc/95/80/04/405958004.db2.gz LXQDLXXJHZFYNV-TXCZRRACSA-N 1 3 303.450 2.121 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CC1(C[NH3+])CC1 ZINC000423788525 405965125 /nfs/dbraw/zinc/96/51/25/405965125.db2.gz XWFRBIDQHBILMN-INIZCTEOSA-N 1 3 315.461 2.238 20 0 DEADHO C[C@H]1C[C@H](N(C)C(=O)C2C[NH+](C3CCCCC3)C2)CCN1C ZINC000457606956 405918516 /nfs/dbraw/zinc/91/85/16/405918516.db2.gz RPJMXDGNBFFKPS-WMLDXEAASA-N 1 3 307.482 2.192 20 0 DEADHO Cc1cnc(CCNC2CC[NH+](CC(C)(C)O)CC2)c(C)c1 ZINC000639309799 406035845 /nfs/dbraw/zinc/03/58/45/406035845.db2.gz FEYBBMOBQMAURI-UHFFFAOYSA-N 1 3 305.466 2.066 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]CCN2CC[C@H](C)C2)[C@@H](C)C1 ZINC000532530851 406082929 /nfs/dbraw/zinc/08/29/29/406082929.db2.gz QWAMGZFGFOLXAW-BZSNNMDCSA-N 1 3 311.514 2.055 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@@H](NC[C@@H](O)COCc2cccs2)C1 ZINC000515414700 406067595 /nfs/dbraw/zinc/06/75/95/406067595.db2.gz MJCRRSYDPDDYIF-RBSFLKMASA-N 1 3 312.479 2.088 20 0 DEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COCc2cccs2)C1 ZINC000515414700 406067599 /nfs/dbraw/zinc/06/75/99/406067599.db2.gz MJCRRSYDPDDYIF-RBSFLKMASA-N 1 3 312.479 2.088 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000636988229 406142894 /nfs/dbraw/zinc/14/28/94/406142894.db2.gz GPZWAWQFGQOPLP-MRXNPFEDSA-N 1 3 310.486 2.036 20 0 DEADHO C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CCC(CC[NH3+])CC1 ZINC000568056850 406185535 /nfs/dbraw/zinc/18/55/35/406185535.db2.gz BWZKXMCUFHMRMU-ZDUSSCGKSA-N 1 3 323.868 2.406 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccccn3)CC2)CC1 ZINC000519367644 406194251 /nfs/dbraw/zinc/19/42/51/406194251.db2.gz OMJHBFQKBKGUPA-UHFFFAOYSA-N 1 3 316.449 2.216 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC1CCN(C)CC1 ZINC000486974731 406194929 /nfs/dbraw/zinc/19/49/29/406194929.db2.gz SWDPMFMZYUUKAK-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)CC1CCN(C)CC1 ZINC000486974731 406194933 /nfs/dbraw/zinc/19/49/33/406194933.db2.gz SWDPMFMZYUUKAK-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)CCOCCNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634701241 406232116 /nfs/dbraw/zinc/23/21/16/406232116.db2.gz MIUQTBRVMGKLFJ-IBGZPJMESA-N 1 3 320.477 2.276 20 0 DEADHO CC(C)CCOCCNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634701241 406232120 /nfs/dbraw/zinc/23/21/20/406232120.db2.gz MIUQTBRVMGKLFJ-IBGZPJMESA-N 1 3 320.477 2.276 20 0 DEADHO C(=C\c1ccncc1)\C[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000487314776 406223789 /nfs/dbraw/zinc/22/37/89/406223789.db2.gz GVNLZMZJTFAOOV-NLVOMGJBSA-N 1 3 301.434 2.185 20 0 DEADHO C[NH+](C)CCCOc1cnccc1CN[C@H]1CCOC(C)(C)C1 ZINC000634684241 406224175 /nfs/dbraw/zinc/22/41/75/406224175.db2.gz LDXCDFSIXFTCSI-INIZCTEOSA-N 1 3 321.465 2.459 20 0 DEADHO CC1(C)CNCC[C@@H]([NH2+]C2CCN(c3ccccn3)CC2)C1 ZINC000634732946 406252926 /nfs/dbraw/zinc/25/29/26/406252926.db2.gz SERGDVYCOVWXOB-MRXNPFEDSA-N 1 3 302.466 2.418 20 0 DEADHO C[C@H](Cn1cccn1)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000569684254 406288711 /nfs/dbraw/zinc/28/87/11/406288711.db2.gz MDVKNZYDICZCRH-KYJSFNMBSA-N 1 3 312.417 2.117 20 0 DEADHO CC(C)[C@H]1C[C@@H](NC[C@@H](O)C[NH+]2CCC(C)CC2)CS1 ZINC000488422980 406318196 /nfs/dbraw/zinc/31/81/96/406318196.db2.gz AMZJTIUUBBXCAV-BZUAXINKSA-N 1 3 300.512 2.199 20 0 DEADHO Cc1c([C@@H](C)NCC[C@H]2CC[NH2+]C2)nnn1-c1ccc(F)cc1 ZINC000569918895 406319504 /nfs/dbraw/zinc/31/95/04/406319504.db2.gz VBPFBWIYTNZTQN-TZMCWYRMSA-N 1 3 317.412 2.365 20 0 DEADHO N[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)c2ccccc21 ZINC000569919046 406319619 /nfs/dbraw/zinc/31/96/19/406319619.db2.gz DURZFNWZQHVSPN-YRXWBPOGSA-N 1 3 315.461 2.364 20 0 DEADHO O=C(NCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1F ZINC000569919249 406320704 /nfs/dbraw/zinc/32/07/04/406320704.db2.gz UCAOPUXTZZKMBQ-DJIMGWMZSA-N 1 3 319.424 2.066 20 0 DEADHO CC[C@@](C)([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1ccc(F)cc1 ZINC000634998454 406391990 /nfs/dbraw/zinc/39/19/90/406391990.db2.gz FXOIWHQPPPWOSM-RDTXWAMCSA-N 1 3 321.440 2.238 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)CC1 ZINC000640103032 406393710 /nfs/dbraw/zinc/39/37/10/406393710.db2.gz VRTRUBKAZPWHGB-FHWLQOOXSA-N 1 3 323.525 2.028 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)CC1 ZINC000640103032 406393711 /nfs/dbraw/zinc/39/37/11/406393711.db2.gz VRTRUBKAZPWHGB-FHWLQOOXSA-N 1 3 323.525 2.028 20 0 DEADHO C[C@@H](CC1CCOCC1)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635006944 406397744 /nfs/dbraw/zinc/39/77/44/406397744.db2.gz COUZMTXANHQPBF-AWEZNQCLSA-N 1 3 304.438 2.108 20 0 DEADHO COc1ccc2c(c1)C[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)CO2 ZINC000635008898 406398820 /nfs/dbraw/zinc/39/88/20/406398820.db2.gz FMUJJKDTMOFRBU-GJZGRUSLSA-N 1 3 304.434 2.367 20 0 DEADHO [NH3+]C[C@@H](NC(=O)NCCN1CCC2(CCCCC2)CC1)C1CC1 ZINC000571269047 406500012 /nfs/dbraw/zinc/50/00/12/406500012.db2.gz MEAZDJPENWGQEP-MRXNPFEDSA-N 1 3 322.497 2.069 20 0 DEADHO CC(C)[NH2+]CC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000570740372 406433230 /nfs/dbraw/zinc/43/32/30/406433230.db2.gz LIRDJMWOWWCKBZ-HNNXBMFYSA-N 1 3 303.450 2.326 20 0 DEADHO C[NH+](C)CC1(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000635138933 406437740 /nfs/dbraw/zinc/43/77/40/406437740.db2.gz MRSYSGOVNAGSMX-CQSZACIVSA-N 1 3 321.490 2.343 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N(C)CCC[NH3+])CCN1Cc1ccccc1 ZINC000571626091 406543823 /nfs/dbraw/zinc/54/38/23/406543823.db2.gz SMXMBVZGBORWAO-NVXWUHKLSA-N 1 3 318.465 2.030 20 0 DEADHO C[NH+](C)Cc1cccc(CNCCC(=O)Nc2cccnc2)c1 ZINC000571634478 406545844 /nfs/dbraw/zinc/54/58/44/406545844.db2.gz STTKCLJIQULABV-UHFFFAOYSA-N 1 3 312.417 2.262 20 0 DEADHO CC(C)N1CC[C@@H](C[NH2+]C2CCN(Cc3ccncc3)CC2)C1 ZINC000571805841 406569622 /nfs/dbraw/zinc/56/96/22/406569622.db2.gz GTCSRVSNGQCGIX-SFHVURJKSA-N 1 3 316.493 2.366 20 0 DEADHO CC[C@@](C)(CN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)OC ZINC000637984418 406508849 /nfs/dbraw/zinc/50/88/49/406508849.db2.gz FWBRJXXHQLKERV-KSZLIROESA-N 1 3 311.514 2.292 20 0 DEADHO CC[C@@](C)(CN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)OC ZINC000637984418 406508853 /nfs/dbraw/zinc/50/88/53/406508853.db2.gz FWBRJXXHQLKERV-KSZLIROESA-N 1 3 311.514 2.292 20 0 DEADHO C[C@@H]1CCC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000527202717 406595573 /nfs/dbraw/zinc/59/55/73/406595573.db2.gz ZBEAATJHGFLDKU-CVEARBPZSA-N 1 3 312.502 2.090 20 0 DEADHO CO[C@@](C)(C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1)C1CC1 ZINC000638151551 406595654 /nfs/dbraw/zinc/59/56/54/406595654.db2.gz FTDVZBSRWSAXGY-IBGZPJMESA-N 1 3 323.525 2.292 20 0 DEADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC000635619832 406627780 /nfs/dbraw/zinc/62/77/80/406627780.db2.gz NHMUBNUFJRPJLL-KRWDZBQOSA-N 1 3 315.461 2.061 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC000571870085 406576009 /nfs/dbraw/zinc/57/60/09/406576009.db2.gz IZPVNCWZJMKZPW-HNNXBMFYSA-N 1 3 303.450 2.208 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC000571870085 406576014 /nfs/dbraw/zinc/57/60/14/406576014.db2.gz IZPVNCWZJMKZPW-HNNXBMFYSA-N 1 3 303.450 2.208 20 0 DEADHO CN(C)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000549618982 406588153 /nfs/dbraw/zinc/58/81/53/406588153.db2.gz YLHBHXZBZDSHIP-HIFRSBDPSA-N 1 3 309.841 2.011 20 0 DEADHO CN(C)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000549618982 406588159 /nfs/dbraw/zinc/58/81/59/406588159.db2.gz YLHBHXZBZDSHIP-HIFRSBDPSA-N 1 3 309.841 2.011 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)/C=C\CN(C)C)Cc1ccccc1 ZINC000491686813 406669095 /nfs/dbraw/zinc/66/90/95/406669095.db2.gz SQPSTVSXQXPQJO-ADYSOMBNSA-N 1 3 317.477 2.174 20 0 DEADHO CCO[C@@H]1C[C@H]([NH2+]CCCN2CCC(C)CC2)[C@]12CCCO2 ZINC000638307586 406687651 /nfs/dbraw/zinc/68/76/51/406687651.db2.gz UGRRUIIPEJMVGF-RCCFBDPRSA-N 1 3 310.482 2.425 20 0 DEADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)/C=C\CN(C)C)CC1 ZINC000491841315 406742538 /nfs/dbraw/zinc/74/25/38/406742538.db2.gz CBNWPILVFPQMGP-BSDKJSHOSA-N 1 3 315.461 2.446 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)/C=C\C[NH+](C)C)C1 ZINC000491848355 406746993 /nfs/dbraw/zinc/74/69/93/406746993.db2.gz NINOLQVPVJFOGL-BXYJRTLCSA-N 1 3 301.434 2.056 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC1CC(OCc2ccccc2)C1 ZINC000572868790 406755430 /nfs/dbraw/zinc/75/54/30/406755430.db2.gz GEKXQMOGFZGBBG-BKDPQDBISA-N 1 3 304.434 2.076 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000527801840 406756894 /nfs/dbraw/zinc/75/68/94/406756894.db2.gz WYZYFGNUSMZEJA-RDJZCZTQSA-N 1 3 322.497 2.033 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000527801840 406756901 /nfs/dbraw/zinc/75/69/01/406756901.db2.gz WYZYFGNUSMZEJA-RDJZCZTQSA-N 1 3 322.497 2.033 20 0 DEADHO C[NH+](C)CCCC1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000553545836 406765394 /nfs/dbraw/zinc/76/53/94/406765394.db2.gz YWVKAYIZQHIVRJ-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000646212949 406817943 /nfs/dbraw/zinc/81/79/43/406817943.db2.gz XFVBVKLWZIKBSC-ZIAGYGMSSA-N 1 3 324.444 2.025 20 0 DEADHO CC(C)[C@H]1CCC[C@@H]1[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000646215679 406818351 /nfs/dbraw/zinc/81/83/51/406818351.db2.gz MQMOGEDWUGHEIM-SJORKVTESA-N 1 3 309.498 2.393 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000646222240 406820081 /nfs/dbraw/zinc/82/00/81/406820081.db2.gz AXVUKQFCNUKBTQ-XOKHGSTOSA-N 1 3 301.434 2.066 20 0 DEADHO C[NH+](C)CCCOc1ccc(NC(=O)[C@H](N)C2CCC2)cc1 ZINC000646279069 406833837 /nfs/dbraw/zinc/83/38/37/406833837.db2.gz WGLYVWIBCMWMJB-MRXNPFEDSA-N 1 3 305.422 2.083 20 0 DEADHO [NH3+]Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000646580119 406883237 /nfs/dbraw/zinc/88/32/37/406883237.db2.gz XXVJSPWQCZPOSU-QGZVFWFLSA-N 1 3 324.428 2.391 20 0 DEADHO CC1(C)[C@H]([NH2+]CCC(=O)NCc2ccccc2Cl)C[C@@H]1N ZINC000641802886 406895563 /nfs/dbraw/zinc/89/55/63/406895563.db2.gz BSNVYARQMDMBDK-UONOGXRCSA-N 1 3 309.841 2.062 20 0 DEADHO CCc1nc(C)c(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)o1 ZINC000641825575 406902194 /nfs/dbraw/zinc/90/21/94/406902194.db2.gz ZNYLRDRQWPXNEL-HNNXBMFYSA-N 1 3 307.438 2.136 20 0 DEADHO COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCNC3(CCC3)C1)CO2 ZINC000643548612 407012790 /nfs/dbraw/zinc/01/27/90/407012790.db2.gz RXSDQYBKAJPHJU-GJZGRUSLSA-N 1 3 302.418 2.263 20 0 DEADHO NC[C@@H]1C[N@H+](Cc2cccc3cnccc32)CC12CCOCC2 ZINC000647545428 407017824 /nfs/dbraw/zinc/01/78/24/407017824.db2.gz FQJKXSAKAGKIHQ-QGZVFWFLSA-N 1 3 311.429 2.422 20 0 DEADHO NC[C@@H]1C[N@@H+](Cc2cccc3cnccc32)CC12CCOCC2 ZINC000647545428 407017825 /nfs/dbraw/zinc/01/78/25/407017825.db2.gz FQJKXSAKAGKIHQ-QGZVFWFLSA-N 1 3 311.429 2.422 20 0 DEADHO [NH3+]C[C@@H]1CN(Cc2cccc3cnccc32)CC12CCOCC2 ZINC000647545428 407017827 /nfs/dbraw/zinc/01/78/27/407017827.db2.gz FQJKXSAKAGKIHQ-QGZVFWFLSA-N 1 3 311.429 2.422 20 0 DEADHO CO[C@H](CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+])c1ccccc1Cl ZINC000643467526 407004467 /nfs/dbraw/zinc/00/44/67/407004467.db2.gz SFYXEJUTZIKLCF-DDUYRFODSA-N 1 3 312.841 2.369 20 0 DEADHO c1ncn(-c2ccccc2CN2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000647483203 407006491 /nfs/dbraw/zinc/00/64/91/407006491.db2.gz BSAHYBVIHWQWAE-KRWDZBQOSA-N 1 3 311.433 2.231 20 0 DEADHO CN(CCN1CC[NH2+]CC1)Cc1cc(Cl)cc2cccnc21 ZINC000647492806 407006826 /nfs/dbraw/zinc/00/68/26/407006826.db2.gz AVLXGRWSTPORCD-UHFFFAOYSA-N 1 3 318.852 2.225 20 0 DEADHO CC1CCC(NC(=O)CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000647975660 407091336 /nfs/dbraw/zinc/09/13/36/407091336.db2.gz DGQDJAPRVXSYQQ-UMQBVGHOSA-N 1 3 321.509 2.393 20 0 DEADHO Cc1cc(C)cc(OCCN2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000647985721 407094116 /nfs/dbraw/zinc/09/41/16/407094116.db2.gz WLLYNRCFQDOCOM-KRWDZBQOSA-N 1 3 318.461 2.370 20 0 DEADHO CCN1CCN(C[C@H](C)CNc2[nH+]ccc3[nH]ccc32)CC1 ZINC000647857784 407062583 /nfs/dbraw/zinc/06/25/83/407062583.db2.gz LFKVZDLCYDNITD-CQSZACIVSA-N 1 3 301.438 2.248 20 0 DEADHO CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1CCCC1CC[NH2+]CC1 ZINC000647889451 407068512 /nfs/dbraw/zinc/06/85/12/407068512.db2.gz SDLRZBIRESKEDL-MSOLQXFVSA-N 1 3 309.498 2.488 20 0 DEADHO CCOC[C@@H](O)CNCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000644522432 407135255 /nfs/dbraw/zinc/13/52/55/407135255.db2.gz XFKZPQRUICAAPQ-LPHOPBHVSA-N 1 3 320.477 2.406 20 0 DEADHO CCOC[C@@H](O)CNCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000644522432 407135256 /nfs/dbraw/zinc/13/52/56/407135256.db2.gz XFKZPQRUICAAPQ-LPHOPBHVSA-N 1 3 320.477 2.406 20 0 DEADHO CS(=O)(=O)c1ccc(CNCCCCC[NH+]2CCCC2)cc1 ZINC000645199971 407245424 /nfs/dbraw/zinc/24/54/24/407245424.db2.gz OVTJRMLRULKLBO-UHFFFAOYSA-N 1 3 324.490 2.446 20 0 DEADHO CCC[N@@H+]1CC[C@H](CN[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000131738041 196195737 /nfs/dbraw/zinc/19/57/37/196195737.db2.gz QWQRNQAGWXLPEB-HUUCEWRRSA-N 1 3 311.470 2.317 20 0 DEADHO CCC[N@H+]1CC[C@H](CN[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000131738041 196195738 /nfs/dbraw/zinc/19/57/38/196195738.db2.gz QWQRNQAGWXLPEB-HUUCEWRRSA-N 1 3 311.470 2.317 20 0 DEADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000131738041 196195740 /nfs/dbraw/zinc/19/57/40/196195740.db2.gz QWQRNQAGWXLPEB-HUUCEWRRSA-N 1 3 311.470 2.317 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCN2CCCOCC2)C1 ZINC000429682524 287275384 /nfs/dbraw/zinc/27/53/84/287275384.db2.gz GTZJJMCZXOZCBI-MOPGFXCFSA-N 1 3 323.525 2.295 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CCN2CCCOCC2)C1 ZINC000429682524 287275385 /nfs/dbraw/zinc/27/53/85/287275385.db2.gz GTZJJMCZXOZCBI-MOPGFXCFSA-N 1 3 323.525 2.295 20 0 DEADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H](CO)C2CCOCC2)CC1 ZINC000360807786 287311223 /nfs/dbraw/zinc/31/12/23/287311223.db2.gz XMJCFONCPCWYMO-AYOQOUSVSA-N 1 3 324.509 2.407 20 0 DEADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@@H](CO)C2CCOCC2)CC1 ZINC000360807786 287311224 /nfs/dbraw/zinc/31/12/24/287311224.db2.gz XMJCFONCPCWYMO-AYOQOUSVSA-N 1 3 324.509 2.407 20 0 DEADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc2c(c1)OCO2 ZINC000150950909 196608064 /nfs/dbraw/zinc/60/80/64/196608064.db2.gz ZCRGZTFWXFBNEV-CQSZACIVSA-N 1 3 319.449 2.092 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1cccc(OC(F)F)c1 ZINC000422950385 299000589 /nfs/dbraw/zinc/00/05/89/299000589.db2.gz XWBQZRWRXAOQTM-GDLCADMTSA-N 1 3 300.349 2.130 20 0 DEADHO C[C@H]1CSC[C@H]1[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000296599224 226035921 /nfs/dbraw/zinc/03/59/21/226035921.db2.gz YGTVPDIKDYDXSX-MAUKXSAKSA-N 1 3 319.518 2.275 20 0 DEADHO C[C@H](CNC(=O)Nc1ccc(C[NH3+])cc1)N1CCC(C)CC1 ZINC000415973264 228756745 /nfs/dbraw/zinc/75/67/45/228756745.db2.gz JJJFYZUFCRRCJM-CQSZACIVSA-N 1 3 304.438 2.387 20 0 DEADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)CCC[NH3+])N(C)C)cc1 ZINC000417312627 229005835 /nfs/dbraw/zinc/00/58/35/229005835.db2.gz NYFRWAOFIJALMD-ZBFHGGJFSA-N 1 3 306.454 2.024 20 0 DEADHO Cc1ccc([C@H](CNC(=O)NCC(C)(C)[NH3+])N2CCCC2)cc1 ZINC000417359555 229014224 /nfs/dbraw/zinc/01/42/24/229014224.db2.gz WEIIAEVXZMQFOP-INIZCTEOSA-N 1 3 318.465 2.168 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000417885270 229134538 /nfs/dbraw/zinc/13/45/38/229134538.db2.gz YDNYZDDRJGSXAS-PBHICJAKSA-N 1 3 322.497 2.020 20 0 DEADHO CN(C)C(=O)c1ccccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000418052698 229203758 /nfs/dbraw/zinc/20/37/58/229203758.db2.gz AELJBBWNCAOATF-SJPCQFCGSA-N 1 3 315.461 2.445 20 0 DEADHO CN(C)C(=O)c1ccccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000418052698 229203762 /nfs/dbraw/zinc/20/37/62/229203762.db2.gz AELJBBWNCAOATF-SJPCQFCGSA-N 1 3 315.461 2.445 20 0 DEADHO Fc1cccc(F)c1CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422697159 230167801 /nfs/dbraw/zinc/16/78/01/230167801.db2.gz UBPIKWGEOQRIPQ-XOKHGSTOSA-N 1 3 310.388 2.254 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000422732973 230181995 /nfs/dbraw/zinc/18/19/95/230181995.db2.gz AOUJAGPTWMTFTD-QEJZJMRPSA-N 1 3 318.465 2.146 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(Br)cc1 ZINC000422766546 230197832 /nfs/dbraw/zinc/19/78/32/230197832.db2.gz RUAAYPMXKNIMPV-ZLKJLUDKSA-N 1 3 313.239 2.291 20 0 DEADHO N[C@@H]1CCC[C@H]1[NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000422811610 230219978 /nfs/dbraw/zinc/21/99/78/230219978.db2.gz UTKICQXRMCHQFY-ZACQAIPSSA-N 1 3 323.868 2.183 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000422828100 230230826 /nfs/dbraw/zinc/23/08/26/230230826.db2.gz STXKOVBDLAXCJZ-AEGPPILISA-N 1 3 320.433 2.035 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC(C)(C)c1ccc2c(c1)OCO2 ZINC000422828100 230230830 /nfs/dbraw/zinc/23/08/30/230230830.db2.gz STXKOVBDLAXCJZ-AEGPPILISA-N 1 3 320.433 2.035 20 0 DEADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000422837067 230234352 /nfs/dbraw/zinc/23/43/52/230234352.db2.gz LGASLQDREFRAON-IUIKQTSFSA-N 1 3 305.397 2.191 20 0 DEADHO Cc1ccc2c(CC[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)N)c[nH]c2c1 ZINC000422847717 230240949 /nfs/dbraw/zinc/24/09/49/230240949.db2.gz RWQUVINXPXGAKE-XOKHGSTOSA-N 1 3 301.434 2.361 20 0 DEADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000422984826 230305480 /nfs/dbraw/zinc/30/54/80/230305480.db2.gz BMDFGMKVOYOMRM-IAOVAPTHSA-N 1 3 306.425 2.490 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCC1(Cc2ccc(F)cc2)CC1 ZINC000422984826 230305482 /nfs/dbraw/zinc/30/54/82/230305482.db2.gz BMDFGMKVOYOMRM-IAOVAPTHSA-N 1 3 306.425 2.490 20 0 DEADHO COC[C@@H](CCC[NH3+])N[C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000423017217 230317794 /nfs/dbraw/zinc/31/77/94/230317794.db2.gz VYYIPZPKLHJSLP-CRAIPNDOSA-N 1 3 316.449 2.336 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@H]1CCCN(c2ccccc2F)C1 ZINC000423013691 230317823 /nfs/dbraw/zinc/31/78/23/230317823.db2.gz NHUZWVPSAMXMTK-JKQORVJESA-N 1 3 321.440 2.136 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCN(c2ccccc2F)C1 ZINC000423013691 230317828 /nfs/dbraw/zinc/31/78/28/230317828.db2.gz NHUZWVPSAMXMTK-JKQORVJESA-N 1 3 321.440 2.136 20 0 DEADHO Cc1cccc(C[C@H](CO)N[C@@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000423062290 230334462 /nfs/dbraw/zinc/33/44/62/230334462.db2.gz SUZFCZCKSAGMGN-DBVUQKKJSA-N 1 3 312.457 2.447 20 0 DEADHO FC(F)C(F)(F)COCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423069194 230336976 /nfs/dbraw/zinc/33/69/76/230336976.db2.gz AOLFCNVYWHVYAQ-TUAOUCFPSA-N 1 3 312.351 2.414 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCNc1ccc2ccccc2n1 ZINC000358399531 424823015 /nfs/dbraw/zinc/82/30/15/424823015.db2.gz MADGOJYBBCOLIC-VKJFTORMSA-N 1 3 312.461 2.965 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCNc1ccc2ccccc2n1 ZINC000358399531 424823016 /nfs/dbraw/zinc/82/30/16/424823016.db2.gz MADGOJYBBCOLIC-VKJFTORMSA-N 1 3 312.461 2.965 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CCC(C)(C)[NH3+] ZINC000389884248 424916575 /nfs/dbraw/zinc/91/65/75/424916575.db2.gz QGKXTNXHDPPMBU-GOEBONIOSA-N 1 3 303.450 2.141 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1CNCCC1(F)F ZINC000649294949 424986300 /nfs/dbraw/zinc/98/63/00/424986300.db2.gz WWPLTWRUXAZALR-ZIAGYGMSSA-N 1 3 317.424 2.002 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CNCCC1(F)F ZINC000649294949 424986303 /nfs/dbraw/zinc/98/63/03/424986303.db2.gz WWPLTWRUXAZALR-ZIAGYGMSSA-N 1 3 317.424 2.002 20 0 DEADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCNc1ccc(C(F)(F)F)cn1 ZINC000422829754 424987461 /nfs/dbraw/zinc/98/74/61/424987461.db2.gz HWKAAZZRYZCNRY-YPMHNXCESA-N 1 3 316.371 2.619 20 0 DEADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3cnc4ccccn34)C2)C1 ZINC000650706672 425039745 /nfs/dbraw/zinc/03/97/45/425039745.db2.gz QAAYVOKCZOEDLG-INMHGKMJSA-N 1 3 314.433 2.053 20 0 DEADHO [NH3+]CC1(CCNCc2cn(-c3ccc(F)c(Cl)c3)nn2)CC1 ZINC000650713090 425041193 /nfs/dbraw/zinc/04/11/93/425041193.db2.gz FIJIEJICTPSHMG-UHFFFAOYSA-N 1 3 323.803 2.278 20 0 DEADHO Cc1c([C@H](C)NCCC2(C[NH3+])CC2)nnn1-c1ccc(F)cc1 ZINC000650743972 425046124 /nfs/dbraw/zinc/04/61/24/425046124.db2.gz CPSLFXSNMBEBLS-LBPRGKRZSA-N 1 3 317.412 2.494 20 0 DEADHO Cn1cc([C@H](NCCC2(C[NH3+])CC2)c2cccc(F)c2)cn1 ZINC000650746116 425046443 /nfs/dbraw/zinc/04/64/43/425046443.db2.gz WHEXGQYEWXXQIX-MRXNPFEDSA-N 1 3 302.397 2.367 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CN1CCN(c2ccnc3ccccc32)CC1 ZINC000649609325 425051795 /nfs/dbraw/zinc/05/17/95/425051795.db2.gz GWXPCZZIRUUQDI-MRXNPFEDSA-N 1 3 310.445 2.451 20 0 DEADHO C[N@H+]1CCC[C@@H]1CN1CCN(c2ccnc3ccccc32)CC1 ZINC000649609325 425051796 /nfs/dbraw/zinc/05/17/96/425051796.db2.gz GWXPCZZIRUUQDI-MRXNPFEDSA-N 1 3 310.445 2.451 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)CCN2CCCCC2)C1 ZINC000650848104 425066767 /nfs/dbraw/zinc/06/67/67/425066767.db2.gz QMHCERCFHCTCGJ-QGZVFWFLSA-N 1 3 324.513 2.234 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N(C)CCN2CCCCC2)C1 ZINC000650848104 425066769 /nfs/dbraw/zinc/06/67/69/425066769.db2.gz QMHCERCFHCTCGJ-QGZVFWFLSA-N 1 3 324.513 2.234 20 0 DEADHO FC(F)(F)CN1CCCN(CCCC2CC[NH2+]CC2)CC1 ZINC000649411598 425013733 /nfs/dbraw/zinc/01/37/33/425013733.db2.gz JYYOTLRTPIVQGU-UHFFFAOYSA-N 1 3 307.404 2.336 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)NCC[C@@H]([NH3+])C(C)C)c1 ZINC000663503037 425175230 /nfs/dbraw/zinc/17/52/30/425175230.db2.gz MKNNMGUOBBTUHK-XJKSGUPXSA-N 1 3 307.438 2.375 20 0 DEADHO Cc1cccc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000663572873 425188380 /nfs/dbraw/zinc/18/83/80/425188380.db2.gz HBBMDFUBUJXQLF-INIZCTEOSA-N 1 3 320.481 2.066 20 0 DEADHO Cc1cccc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000663572873 425188383 /nfs/dbraw/zinc/18/83/83/425188383.db2.gz HBBMDFUBUJXQLF-INIZCTEOSA-N 1 3 320.481 2.066 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)NCCC2(C[NH3+])CC2)N(C)C)cc1 ZINC000652141596 425195815 /nfs/dbraw/zinc/19/58/15/425195815.db2.gz VBHBTNMSTUGZRO-MRXNPFEDSA-N 1 3 318.465 2.026 20 0 DEADHO CC[C@@H](C)N[C@H](CNC(=O)NCCC1(C[NH3+])CC1)c1ccco1 ZINC000652191228 425209116 /nfs/dbraw/zinc/20/91/16/425209116.db2.gz ODFBUAILJLPSGS-ZIAGYGMSSA-N 1 3 322.453 2.137 20 0 DEADHO C[C@H]1CCCCC[C@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000651830532 425149026 /nfs/dbraw/zinc/14/90/26/425149026.db2.gz WYLVAYCSSKVCIC-ZWKOTPCHSA-N 1 3 323.525 2.341 20 0 DEADHO C[NH+](C)CCOc1ccc(CN2CCC(C3(O)CC3)CC2)cc1 ZINC000651878431 425150493 /nfs/dbraw/zinc/15/04/93/425150493.db2.gz MDNMYQKULOXZOE-UHFFFAOYSA-N 1 3 318.461 2.364 20 0 DEADHO CCC[NH+]1CCC(NC[C@@]2(CO)CCc3ccccc32)CC1 ZINC000651884908 425150898 /nfs/dbraw/zinc/15/08/98/425150898.db2.gz SESAURBATRNKDZ-LJQANCHMSA-N 1 3 302.462 2.327 20 0 DEADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cnccn1 ZINC000656684669 425160859 /nfs/dbraw/zinc/16/08/59/425160859.db2.gz WPUNTFROIPNDTM-OAHLLOKOSA-N 1 3 311.433 2.434 20 0 DEADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H](CO)CCF)CC1 ZINC000652018524 425161797 /nfs/dbraw/zinc/16/17/97/425161797.db2.gz WBPWDNVRNIVPKQ-QAPCUYQASA-N 1 3 308.441 2.392 20 0 DEADHO CCN(C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@H]1CCN(C)C1 ZINC000663773262 425232251 /nfs/dbraw/zinc/23/22/51/425232251.db2.gz DKFYDZRWKUTVGX-RYRKJORJSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000663703877 425217466 /nfs/dbraw/zinc/21/74/66/425217466.db2.gz JXYOPPROEDRAAQ-HRCADAONSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000663703877 425217470 /nfs/dbraw/zinc/21/74/70/425217470.db2.gz JXYOPPROEDRAAQ-HRCADAONSA-N 1 3 312.502 2.136 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000654350156 425330327 /nfs/dbraw/zinc/33/03/27/425330327.db2.gz AHHPKPWTOPMTEE-UHFFFAOYSA-N 1 3 324.513 2.375 20 0 DEADHO C[NH+](C)C1(CNC(=O)N[C@H]2CCCN3CCCC[C@@H]23)CCCC1 ZINC000654349925 425330571 /nfs/dbraw/zinc/33/05/71/425330571.db2.gz SMWILJGMZSWSRB-HOTGVXAUSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)C1CCCC1 ZINC000664120464 425311025 /nfs/dbraw/zinc/31/10/25/425311025.db2.gz ULSZCGMKXSKQIE-GJZGRUSLSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)C1CCCC1 ZINC000664120464 425311027 /nfs/dbraw/zinc/31/10/27/425311027.db2.gz ULSZCGMKXSKQIE-GJZGRUSLSA-N 1 3 312.502 2.136 20 0 DEADHO CN(C)CCC[N@H+](C)CCNc1cncc(Br)c1 ZINC000664247221 425344600 /nfs/dbraw/zinc/34/46/00/425344600.db2.gz GQBCNQPUEBNLRI-UHFFFAOYSA-N 1 3 315.259 2.140 20 0 DEADHO CN(C)CCC[N@@H+](C)CCNc1cncc(Br)c1 ZINC000664247221 425344602 /nfs/dbraw/zinc/34/46/02/425344602.db2.gz GQBCNQPUEBNLRI-UHFFFAOYSA-N 1 3 315.259 2.140 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CC3(C)C)CC2)CC1 ZINC000654575662 425387562 /nfs/dbraw/zinc/38/75/62/425387562.db2.gz IUHXTSDAXULZNT-INIZCTEOSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[NH+](CCNC(=O)NC[C@@H]1CCN1C(C)(C)C)C(C)C ZINC000661398017 425397756 /nfs/dbraw/zinc/39/77/56/425397756.db2.gz SJIMLUQHTAVXPA-HNNXBMFYSA-N 1 3 312.502 2.277 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC12CCC(CC1)C2 ZINC000664535263 425404460 /nfs/dbraw/zinc/40/44/60/425404460.db2.gz OMBFBRDCAUJORZ-HJOIGYKYSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC12CCC(CC1)C2 ZINC000664535263 425404464 /nfs/dbraw/zinc/40/44/64/425404464.db2.gz OMBFBRDCAUJORZ-HJOIGYKYSA-N 1 3 324.513 2.138 20 0 DEADHO COC[C@@H](CC1CCOCC1)NC1CC[NH+](CC2CC2)CC1 ZINC000657846319 425409947 /nfs/dbraw/zinc/40/99/47/425409947.db2.gz QGBMMJQDSNHAQT-GOSISDBHSA-N 1 3 310.482 2.282 20 0 DEADHO Cc1cnn(C)c1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613868 425377183 /nfs/dbraw/zinc/37/71/83/425377183.db2.gz VAVSFMFYMXCWGG-UHFFFAOYSA-N 1 3 313.449 2.125 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654569602 425383879 /nfs/dbraw/zinc/38/38/79/425383879.db2.gz KXQHBQNHMQDDAP-ULQDDVLXSA-N 1 3 324.513 2.423 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654569602 425383882 /nfs/dbraw/zinc/38/38/82/425383882.db2.gz KXQHBQNHMQDDAP-ULQDDVLXSA-N 1 3 324.513 2.423 20 0 DEADHO O[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2COC3(CCC3)C2)CC1 ZINC000657929082 425418099 /nfs/dbraw/zinc/41/80/99/425418099.db2.gz QLFKHBXVFAXKMJ-GVDBMIGSSA-N 1 3 308.466 2.056 20 0 DEADHO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2COC3(CCC3)C2)CC1 ZINC000657929083 425418359 /nfs/dbraw/zinc/41/83/59/425418359.db2.gz QLFKHBXVFAXKMJ-IXDOHACOSA-N 1 3 308.466 2.056 20 0 DEADHO C[C@@H]1C[C@@H](NCC2CC[NH+](C3CCOCC3)CC2)c2nccn21 ZINC000658069247 425432043 /nfs/dbraw/zinc/43/20/43/425432043.db2.gz DTUXBPKAWMNYCD-RHSMWYFYSA-N 1 3 318.465 2.370 20 0 DEADHO COC1([C@H](C)[NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)CCC1 ZINC000658141657 425443644 /nfs/dbraw/zinc/44/36/44/425443644.db2.gz XLOZMKCMMCZNIW-YJBOKZPZSA-N 1 3 318.461 2.300 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000661898788 425521445 /nfs/dbraw/zinc/52/14/45/425521445.db2.gz SIEXQTSUCLPCHH-GVDBMIGSSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000661898788 425521447 /nfs/dbraw/zinc/52/14/47/425521447.db2.gz SIEXQTSUCLPCHH-GVDBMIGSSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](C[C@@H]1CCCCCN1)[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000665235612 425524966 /nfs/dbraw/zinc/52/49/66/425524966.db2.gz XGHIIBSRTBXOHQ-GJZGRUSLSA-N 1 3 316.511 2.102 20 0 DEADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCC1(CS(C)(=O)=O)CC1 ZINC000665235612 425524971 /nfs/dbraw/zinc/52/49/71/425524971.db2.gz XGHIIBSRTBXOHQ-GJZGRUSLSA-N 1 3 316.511 2.102 20 0 DEADHO C[C@H]([NH2+]CC1(N)CCCC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000665248152 425528525 /nfs/dbraw/zinc/52/85/25/425528525.db2.gz QHYVMKZEAXAMFS-FUHWJXTLSA-N 1 3 317.477 2.310 20 0 DEADHO CCCN1CC[C@H](N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000665274181 425533658 /nfs/dbraw/zinc/53/36/58/425533658.db2.gz LLQYZXIHNNZOCV-KVSKMBFKSA-N 1 3 315.461 2.316 20 0 DEADHO C[C@@H]([NH3+])C[C@@H](C)NC1(CN2CCN(c3ccccc3)CC2)CC1 ZINC000665272584 425533718 /nfs/dbraw/zinc/53/37/18/425533718.db2.gz HXZGLAAEJKQAKQ-IAGOWNOFSA-N 1 3 316.493 2.057 20 0 DEADHO CN(CCC(=O)N[C@@H]1CCCN2CCCC[C@@H]12)c1cc[nH+]cc1 ZINC000655352689 425542910 /nfs/dbraw/zinc/54/29/10/425542910.db2.gz OCVBSOMLLHBDGN-SJORKVTESA-N 1 3 316.449 2.041 20 0 DEADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000659315872 425575981 /nfs/dbraw/zinc/57/59/81/425575981.db2.gz WHVFMPXXMWGJQU-KBAYOESNSA-N 1 3 313.445 2.164 20 0 DEADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000659315872 425575983 /nfs/dbraw/zinc/57/59/83/425575983.db2.gz WHVFMPXXMWGJQU-KBAYOESNSA-N 1 3 313.445 2.164 20 0 DEADHO C[C@@H]1C[C@H](C)N(C(=O)C[C@@H]2NCc3ccccc32)C[C@H]1C[NH3+] ZINC000659326839 425578957 /nfs/dbraw/zinc/57/89/57/425578957.db2.gz ZCSCWPAJESSPBR-CXUGXGMPSA-N 1 3 301.434 2.053 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N2CCCN(CC3CCC3)CC2)CC1 ZINC000665478316 425579543 /nfs/dbraw/zinc/57/95/43/425579543.db2.gz CPJGKMLQPBFGKV-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO O=C(NCCN1CCCC1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000665531934 425589870 /nfs/dbraw/zinc/58/98/70/425589870.db2.gz UJGHFCRCTJIZRK-SFHVURJKSA-N 1 3 315.461 2.078 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](C)CC1 ZINC000665640053 425611259 /nfs/dbraw/zinc/61/12/59/425611259.db2.gz MNWRHIZSXXJXEU-CVEARBPZSA-N 1 3 312.502 2.090 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](C)CC1 ZINC000665640053 425611261 /nfs/dbraw/zinc/61/12/61/425611261.db2.gz MNWRHIZSXXJXEU-CVEARBPZSA-N 1 3 312.502 2.090 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665552672 425594319 /nfs/dbraw/zinc/59/43/19/425594319.db2.gz GOHBWFSTAQMXOJ-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665552672 425594322 /nfs/dbraw/zinc/59/43/22/425594322.db2.gz GOHBWFSTAQMXOJ-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N[C@@H](C)C[NH2+]C)c1ccsc1 ZINC000659435193 425603097 /nfs/dbraw/zinc/60/30/97/425603097.db2.gz VQSNCXRMKDKWRK-JSGCOSHPSA-N 1 3 312.483 2.038 20 0 DEADHO Cc1ccc([C@H](CNC(=O)NCC[C@@H]([NH3+])C(C)C)N(C)C)cc1 ZINC000659446372 425604732 /nfs/dbraw/zinc/60/47/32/425604732.db2.gz NAZSUZGXCZJPSB-SJORKVTESA-N 1 3 320.481 2.270 20 0 DEADHO Cc1nc2c(s1)[C@@H](N(C)C[C@H]1CCC3(C[NH2+]C3)O1)CCC2 ZINC000662263217 425606911 /nfs/dbraw/zinc/60/69/11/425606911.db2.gz LGDSXFDGLBRNIB-OCCSQVGLSA-N 1 3 307.463 2.282 20 0 DEADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cccc2c1CNC2 ZINC000662405886 425643584 /nfs/dbraw/zinc/64/35/84/425643584.db2.gz AEMXETPNHQKPQP-KFWWJZLASA-N 1 3 315.461 2.386 20 0 DEADHO CC[NH+]1CCC(CNC(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000662407881 425644164 /nfs/dbraw/zinc/64/41/64/425644164.db2.gz LHZXIODBRDIILH-KRWDZBQOSA-N 1 3 301.434 2.069 20 0 DEADHO CO[C@@](C)(CO)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000655787541 425656131 /nfs/dbraw/zinc/65/61/31/425656131.db2.gz YJNULPCDTLTHPX-AKHDSKFASA-N 1 3 318.461 2.169 20 0 DEADHO CO[C@@](C)(CO)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000655787541 425656134 /nfs/dbraw/zinc/65/61/34/425656134.db2.gz YJNULPCDTLTHPX-AKHDSKFASA-N 1 3 318.461 2.169 20 0 DEADHO O=C(C[C@H]1NCc2ccccc21)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000662472370 425659337 /nfs/dbraw/zinc/65/93/37/425659337.db2.gz ZDVXOTCIWSENJK-MAUKXSAKSA-N 1 3 313.445 2.165 20 0 DEADHO Cc1c([C@@H](C)NCCN2CCC([NH+](C)C)CC2)cnn1C(C)C ZINC000191328044 267721666 /nfs/dbraw/zinc/72/16/66/267721666.db2.gz JZAPELGTYWSFLD-OAHLLOKOSA-N 1 3 321.513 2.449 20 0 DEADHO CN[C@@H](C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000662501619 425666671 /nfs/dbraw/zinc/66/66/71/425666671.db2.gz CQWNFLYYVDTHNO-RYQLBKOJSA-N 1 3 315.461 2.107 20 0 DEADHO CN[C@@H](C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000662501619 425666673 /nfs/dbraw/zinc/66/66/73/425666673.db2.gz CQWNFLYYVDTHNO-RYQLBKOJSA-N 1 3 315.461 2.107 20 0 DEADHO CC(C)[C@H]1CN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CCN1 ZINC000662515677 425672036 /nfs/dbraw/zinc/67/20/36/425672036.db2.gz QQRJHQCEQFJZNG-SJLPKXTDSA-N 1 3 315.461 2.135 20 0 DEADHO C[C@H](CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)N1CCCC1 ZINC000662523411 425674421 /nfs/dbraw/zinc/67/44/21/425674421.db2.gz BYGDRZZPPSAEQP-RHSMWYFYSA-N 1 3 315.461 2.279 20 0 DEADHO C[NH+](C)[C@H]1CCCN(C(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000662532553 425675701 /nfs/dbraw/zinc/67/57/01/425675701.db2.gz CLPUGBLFBSGXEU-RDJZCZTQSA-N 1 3 301.434 2.164 20 0 DEADHO COc1cccc([C@@]2(C)CC[N@H+](C[C@@H]3CCC4(CNC4)O3)C2)c1 ZINC000662309570 425620141 /nfs/dbraw/zinc/62/01/41/425620141.db2.gz ARABYZUEJUSZMH-ROUUACIJSA-N 1 3 316.445 2.180 20 0 DEADHO COc1cccc([C@@]2(C)CC[N@@H+](C[C@@H]3CCC4(CNC4)O3)C2)c1 ZINC000662309570 425620142 /nfs/dbraw/zinc/62/01/42/425620142.db2.gz ARABYZUEJUSZMH-ROUUACIJSA-N 1 3 316.445 2.180 20 0 DEADHO CCCN1CC[C@H](NC(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000659545515 425625154 /nfs/dbraw/zinc/62/51/54/425625154.db2.gz OLOGFYURDQAEBR-DLBZAZTESA-N 1 3 318.465 2.250 20 0 DEADHO C[C@H]1CCCCN1CCC[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000655682228 425626703 /nfs/dbraw/zinc/62/67/03/425626703.db2.gz BWKPIKAUKPUSSU-PKOBYXMFSA-N 1 3 323.525 2.484 20 0 DEADHO CC(C)=CCC[N@@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662335960 425627576 /nfs/dbraw/zinc/62/75/76/425627576.db2.gz BMDWKDPLLIUESW-INIZCTEOSA-N 1 3 317.481 2.355 20 0 DEADHO CC(C)=CCC[N@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662335960 425627579 /nfs/dbraw/zinc/62/75/79/425627579.db2.gz BMDWKDPLLIUESW-INIZCTEOSA-N 1 3 317.481 2.355 20 0 DEADHO C[C@@H]1CCCCN1CCC[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000655682226 425627669 /nfs/dbraw/zinc/62/76/69/425627669.db2.gz BWKPIKAUKPUSSU-IEBWSBKVSA-N 1 3 323.525 2.484 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662336814 425627923 /nfs/dbraw/zinc/62/79/23/425627923.db2.gz GYFKXRHKYOAXFR-CABCVRRESA-N 1 3 305.470 2.045 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662336814 425627925 /nfs/dbraw/zinc/62/79/25/425627925.db2.gz GYFKXRHKYOAXFR-CABCVRRESA-N 1 3 305.470 2.045 20 0 DEADHO C[C@H](C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)N1CCC(C)CC1 ZINC000655703236 425632915 /nfs/dbraw/zinc/63/29/15/425632915.db2.gz NVEOMVNRQKHIJI-MJGOQNOKSA-N 1 3 323.525 2.340 20 0 DEADHO CCCN1CC[C@H](NC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)C1 ZINC000659610298 425635894 /nfs/dbraw/zinc/63/58/94/425635894.db2.gz NTNVFIMGJRLUMT-ULQDDVLXSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@H](CNC(=O)C[C@@H]1NCc2ccccc21)C[NH+]1CCCCC1 ZINC000662394148 425639765 /nfs/dbraw/zinc/63/97/65/425639765.db2.gz BEHQTSDAUKDSBT-QAPCUYQASA-N 1 3 315.461 2.459 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCCC(C)(C)C1 ZINC000665757750 425640941 /nfs/dbraw/zinc/64/09/41/425640941.db2.gz VMSHRGLHFGUCLY-HNNXBMFYSA-N 1 3 312.502 2.090 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCCC(C)(C)C1 ZINC000665757750 425640944 /nfs/dbraw/zinc/64/09/44/425640944.db2.gz VMSHRGLHFGUCLY-HNNXBMFYSA-N 1 3 312.502 2.090 20 0 DEADHO CCC[NH+]1CCC(Nc2cnccc2N2CCN(C)CC2)CC1 ZINC000666353025 425739851 /nfs/dbraw/zinc/73/98/51/425739851.db2.gz CYCDCTPCCLSWEF-UHFFFAOYSA-N 1 3 317.481 2.120 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cccc3c2CNC3)C1 ZINC000662589692 425687342 /nfs/dbraw/zinc/68/73/42/425687342.db2.gz CJFNRYUCTSYJGG-ZDUSSCGKSA-N 1 3 301.434 2.140 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cccc3c2CNC3)C1 ZINC000662589692 425687344 /nfs/dbraw/zinc/68/73/44/425687344.db2.gz CJFNRYUCTSYJGG-ZDUSSCGKSA-N 1 3 301.434 2.140 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000655962930 425694727 /nfs/dbraw/zinc/69/47/27/425694727.db2.gz IWMKPNHROYBSBS-MRXNPFEDSA-N 1 3 318.465 2.202 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@@H](N)c1ccccc1 ZINC000662622750 425697416 /nfs/dbraw/zinc/69/74/16/425697416.db2.gz TWRZQXYGMJFENX-NUEKZKHPSA-N 1 3 303.450 2.312 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)[C@@H](N)c1ccccc1 ZINC000662622750 425697419 /nfs/dbraw/zinc/69/74/19/425697419.db2.gz TWRZQXYGMJFENX-NUEKZKHPSA-N 1 3 303.450 2.312 20 0 DEADHO CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)C[C@@H](O)CN(C)C(C)C ZINC000659988348 425707710 /nfs/dbraw/zinc/70/77/10/425707710.db2.gz MJBVZHPWIFTWDB-OALUTQOASA-N 1 3 322.493 2.207 20 0 DEADHO CC(C)[C@H](CO)[N@H+](Cc1ccccc1)C[C@@H](O)CN(C)C(C)C ZINC000659988348 425707713 /nfs/dbraw/zinc/70/77/13/425707713.db2.gz MJBVZHPWIFTWDB-OALUTQOASA-N 1 3 322.493 2.207 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)C2(NC3CC3)CCC2)CC1 ZINC000662682126 425712966 /nfs/dbraw/zinc/71/29/66/425712966.db2.gz FVZJJXHYHFCWJV-UHFFFAOYSA-N 1 3 307.482 2.289 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000662694469 425713423 /nfs/dbraw/zinc/71/34/23/425713423.db2.gz QVYUVGYMDQNKMK-HZPDHXFCSA-N 1 3 309.498 2.249 20 0 DEADHO C[C@H](CC(=O)N[C@@H](C)CN1CCC(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000662694517 425713702 /nfs/dbraw/zinc/71/37/02/425713702.db2.gz RQOGKZRXRMHANG-IKGGRYGDSA-N 1 3 309.498 2.249 20 0 DEADHO O=C(c1cccc2c1CCNC2)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000662697067 425715851 /nfs/dbraw/zinc/71/58/51/425715851.db2.gz ARPGPJYTIYHFQL-MRXNPFEDSA-N 1 3 313.445 2.033 20 0 DEADHO C[C@H](N[C@H]1CCN(c2ccc(F)cc2)C1=O)C1CC[NH+](C)CC1 ZINC000666230606 425721156 /nfs/dbraw/zinc/72/11/56/425721156.db2.gz ZGWJSHZLVQTEDP-GUYCJALGSA-N 1 3 319.424 2.251 20 0 DEADHO [NH3+][C@H]1CCC[C@@H](NCc2ccccc2CN2CCCC2=O)C1 ZINC000656193119 425727018 /nfs/dbraw/zinc/72/70/18/425727018.db2.gz PTCBQQVRRKTPDK-DLBZAZTESA-N 1 3 301.434 2.169 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc3c2CCNC3)C[C@@H]1C ZINC000662742293 425727074 /nfs/dbraw/zinc/72/70/74/425727074.db2.gz CQDAMQKBMUNJRY-HOCLYGCPSA-N 1 3 315.461 2.277 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc3c2CCNC3)C[C@@H]1C ZINC000662742293 425727076 /nfs/dbraw/zinc/72/70/76/425727076.db2.gz CQDAMQKBMUNJRY-HOCLYGCPSA-N 1 3 315.461 2.277 20 0 DEADHO COc1ccc([C@H](CN[C@@H]2CCC[C@@H]([NH3+])C2)N(C)C)cc1OC ZINC000656198334 425729232 /nfs/dbraw/zinc/72/92/32/425729232.db2.gz QKKVNUTVLTXTLR-OAGGEKHMSA-N 1 3 321.465 2.166 20 0 DEADHO CC[C@@H](CC(F)F)CN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000660074800 425729481 /nfs/dbraw/zinc/72/94/81/425729481.db2.gz QLAHSENJVHTBFH-GJZGRUSLSA-N 1 3 303.441 2.380 20 0 DEADHO CC[C@@H](CC(F)F)CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000660074800 425729483 /nfs/dbraw/zinc/72/94/83/425729483.db2.gz QLAHSENJVHTBFH-GJZGRUSLSA-N 1 3 303.441 2.380 20 0 DEADHO CN(C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)C1CCN(C)CC1 ZINC000662767976 425730967 /nfs/dbraw/zinc/73/09/67/425730967.db2.gz YVWFWTBZRANQBC-MRXNPFEDSA-N 1 3 315.461 2.231 20 0 DEADHO N[C@H](CC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000663004880 425775689 /nfs/dbraw/zinc/77/56/89/425775689.db2.gz SHXMIZPYDZDNHT-FUHWJXTLSA-N 1 3 315.461 2.315 20 0 DEADHO N[C@H](CC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000663004880 425775693 /nfs/dbraw/zinc/77/56/93/425775693.db2.gz SHXMIZPYDZDNHT-FUHWJXTLSA-N 1 3 315.461 2.315 20 0 DEADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NC1CCN(C2CC2)CC1 ZINC000660281620 425783099 /nfs/dbraw/zinc/78/30/99/425783099.db2.gz XWNKSLDRXWNWJS-HNNXBMFYSA-N 1 3 322.497 2.033 20 0 DEADHO O=C(NCCN1CCCCC1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000656551623 425792158 /nfs/dbraw/zinc/79/21/58/425792158.db2.gz NHALSUVNLFZREH-INIZCTEOSA-N 1 3 322.497 2.179 20 0 DEADHO O=C(NCCN1CCCCC1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000656551623 425792160 /nfs/dbraw/zinc/79/21/60/425792160.db2.gz NHALSUVNLFZREH-INIZCTEOSA-N 1 3 322.497 2.179 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000660396824 425806762 /nfs/dbraw/zinc/80/67/62/425806762.db2.gz OCPFZASYGQORNA-IXDOHACOSA-N 1 3 324.513 2.138 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000660396824 425806764 /nfs/dbraw/zinc/80/67/64/425806764.db2.gz OCPFZASYGQORNA-IXDOHACOSA-N 1 3 324.513 2.138 20 0 DEADHO [NH3+]C[C@H](C(=O)N[C@@H]1CCCN2CCCC[C@H]12)c1ccc(F)cc1 ZINC000662839680 425745706 /nfs/dbraw/zinc/74/57/06/425745706.db2.gz STEQHGDUNXIFQU-GVDBMIGSSA-N 1 3 319.424 2.001 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662843783 425747946 /nfs/dbraw/zinc/74/79/46/425747946.db2.gz USNVSTXAWZUCHC-HLLBOEOZSA-N 1 3 307.482 2.097 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662843836 425748037 /nfs/dbraw/zinc/74/80/37/425748037.db2.gz VQQFYISYVISJSL-DLBZAZTESA-N 1 3 307.482 2.099 20 0 DEADHO CN(Cc1cc(C2CC2)no1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000660140286 425751089 /nfs/dbraw/zinc/75/10/89/425751089.db2.gz IGVYYUKESQNKKV-INIZCTEOSA-N 1 3 318.465 2.152 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662883423 425756045 /nfs/dbraw/zinc/75/60/45/425756045.db2.gz JUYQONKRZBKWEV-IAGOWNOFSA-N 1 3 317.433 2.160 20 0 DEADHO COC[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)C1CC1 ZINC000397493112 269106927 /nfs/dbraw/zinc/10/69/27/269106927.db2.gz BHJJFXOBFBJOSR-GOSISDBHSA-N 1 3 318.461 2.028 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CN1C1CC1 ZINC000433384541 269135477 /nfs/dbraw/zinc/13/54/77/269135477.db2.gz KRPCQNUJHDLJQS-KYJSFNMBSA-N 1 3 315.461 2.421 20 0 DEADHO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](C[C@@H]3CCCNC3)C[C@H]2C1 ZINC000496491575 269223764 /nfs/dbraw/zinc/22/37/64/269223764.db2.gz KQWJJFRJXQEGRS-OAGGEKHMSA-N 1 3 323.481 2.175 20 0 DEADHO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](C[C@@H]3CCCNC3)C[C@H]2C1 ZINC000496491575 269223766 /nfs/dbraw/zinc/22/37/66/269223766.db2.gz KQWJJFRJXQEGRS-OAGGEKHMSA-N 1 3 323.481 2.175 20 0 DEADHO CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@@H]3CCC[NH2+]C3)C[C@H]2C1 ZINC000496491575 269223767 /nfs/dbraw/zinc/22/37/67/269223767.db2.gz KQWJJFRJXQEGRS-OAGGEKHMSA-N 1 3 323.481 2.175 20 0 DEADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CC3(CN)CC3)C[C@H]2C1 ZINC000497228594 269295131 /nfs/dbraw/zinc/29/51/31/269295131.db2.gz AJPSEEHZOGWCBN-SOUVJXGZSA-N 1 3 323.481 2.351 20 0 DEADHO O=C1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CN1 ZINC000499155555 269303892 /nfs/dbraw/zinc/30/38/92/269303892.db2.gz ZQIAKBRLZAOIFX-ZJPYXAASSA-N 1 3 313.445 2.050 20 0 DEADHO O=C1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CN1 ZINC000499155555 269303893 /nfs/dbraw/zinc/30/38/93/269303893.db2.gz ZQIAKBRLZAOIFX-ZJPYXAASSA-N 1 3 313.445 2.050 20 0 DEADHO C[NH+](C)CCCCC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000514962625 269339089 /nfs/dbraw/zinc/33/90/89/269339089.db2.gz ONXVFHAHQUJZKV-SFHVURJKSA-N 1 3 317.477 2.499 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC000517100540 269377540 /nfs/dbraw/zinc/37/75/40/269377540.db2.gz VNBZYAVOGILPGO-JKSUJKDBSA-N 1 3 322.497 2.164 20 0 DEADHO C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl)CN(C)C ZINC000293351918 274224693 /nfs/dbraw/zinc/22/46/93/274224693.db2.gz GZCQCMYFOJDYHY-RYUDHWBXSA-N 1 3 312.845 2.239 20 0 DEADHO C[C@@H](CN[C@@H](C)CC(=O)Nc1cccnc1Cl)C[NH+](C)C ZINC000293351918 274224695 /nfs/dbraw/zinc/22/46/95/274224695.db2.gz GZCQCMYFOJDYHY-RYUDHWBXSA-N 1 3 312.845 2.239 20 0 DEADHO O=c1[nH]c2ccccc2n1C1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000420296920 275062521 /nfs/dbraw/zinc/06/25/21/275062521.db2.gz CPVNGGNLXYIOFI-CQSZACIVSA-N 1 3 314.433 2.378 20 0 DEADHO CCC[NH2+]CCNC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000418482136 276266075 /nfs/dbraw/zinc/26/60/75/276266075.db2.gz VACSADVNEBBBTF-UHFFFAOYSA-N 1 3 320.481 2.196 20 0 DEADHO CCN1CCCN(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000366347623 276366805 /nfs/dbraw/zinc/36/68/05/276366805.db2.gz NHQQLOZUXCCABH-IAGOWNOFSA-N 1 3 324.513 2.092 20 0 DEADHO C[NH+](C)CCCOc1cnccc1CNC[C@@H]1CCSC1 ZINC000288666939 276785528 /nfs/dbraw/zinc/78/55/28/276785528.db2.gz WEXHULPSRVETLV-AWEZNQCLSA-N 1 3 309.479 2.255 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CCN1CC[C@]2(C1)c1ccccc1NC2=O ZINC000364433529 277044809 /nfs/dbraw/zinc/04/48/09/277044809.db2.gz HAXFLBHZPXEDHX-BEFAXECRSA-N 1 3 313.445 2.457 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CCN1CC[C@]2(C1)c1ccccc1NC2=O ZINC000364433529 277044810 /nfs/dbraw/zinc/04/48/10/277044810.db2.gz HAXFLBHZPXEDHX-BEFAXECRSA-N 1 3 313.445 2.457 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(C)C[C@@H]1CCCN1C ZINC000420824985 277388256 /nfs/dbraw/zinc/38/82/56/277388256.db2.gz YICOSULNWFQYCT-IRXDYDNUSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N(C)C[C@@H]1CCCN1C ZINC000420824985 277388257 /nfs/dbraw/zinc/38/82/57/277388257.db2.gz YICOSULNWFQYCT-IRXDYDNUSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357075378 277547220 /nfs/dbraw/zinc/54/72/20/277547220.db2.gz HJPBLQJRRYVNBH-UIBIWLFHSA-N 1 3 321.509 2.201 20 0 DEADHO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CC1(O)CCN(C)CC1 ZINC000353308177 277943323 /nfs/dbraw/zinc/94/33/23/277943323.db2.gz AXLLNWMOCUSINR-QGZVFWFLSA-N 1 3 318.461 2.464 20 0 DEADHO C[C@@H]1OCC[C@]1(O)CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000433015781 278064189 /nfs/dbraw/zinc/06/41/89/278064189.db2.gz LUMYISYAOLOLKA-FZCLSBEQSA-N 1 3 310.482 2.159 20 0 DEADHO C[C@@H]1OCC[C@]1(O)C[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000433015781 278064190 /nfs/dbraw/zinc/06/41/90/278064190.db2.gz LUMYISYAOLOLKA-FZCLSBEQSA-N 1 3 310.482 2.159 20 0 DEADHO CC(=O)Nc1cccc(OCCN[C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422938318 278209105 /nfs/dbraw/zinc/20/91/05/278209105.db2.gz DPCQFYVYQZRNOX-GUYCJALGSA-N 1 3 305.422 2.002 20 0 DEADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000261541155 278241685 /nfs/dbraw/zinc/24/16/85/278241685.db2.gz FRDIAYWYRGCVEV-MAUKXSAKSA-N 1 3 303.450 2.155 20 0 DEADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)C3(N)CC3)cc2)C1 ZINC000237708713 278490032 /nfs/dbraw/zinc/49/00/32/278490032.db2.gz BNRHZMVCFIXZKA-GJZGRUSLSA-N 1 3 315.461 2.272 20 0 DEADHO C[C@]1(C(=O)NC2CCN(Cc3ccccc3)CC2)CCCC[NH2+]1 ZINC000237541821 278557308 /nfs/dbraw/zinc/55/73/08/278557308.db2.gz ABRWAZJKNITBCE-LJQANCHMSA-N 1 3 315.461 2.299 20 0 DEADHO CC[NH+](CC)Cc1cccc(CN[C@H]2CCCS(=O)(=O)C2)c1 ZINC000182494209 279138341 /nfs/dbraw/zinc/13/83/41/279138341.db2.gz NIEIQMPQGOTWBV-KRWDZBQOSA-N 1 3 324.490 2.195 20 0 DEADHO CCN(CC)Cc1cccc(C[NH2+][C@H]2CCCS(=O)(=O)C2)c1 ZINC000182494209 279138342 /nfs/dbraw/zinc/13/83/42/279138342.db2.gz NIEIQMPQGOTWBV-KRWDZBQOSA-N 1 3 324.490 2.195 20 0 DEADHO CCN(CCNC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)C1CC1 ZINC000101981502 279198229 /nfs/dbraw/zinc/19/82/29/279198229.db2.gz QKDSBASMSORIPI-HOTGVXAUSA-N 1 3 324.513 2.138 20 0 DEADHO CCN1CCC([N@@H+]2CCCN(C[C@H]3CC[C@@H](C)O3)CC2)CC1 ZINC000420977385 279258648 /nfs/dbraw/zinc/25/86/48/279258648.db2.gz HXYQSVYEXRUNMF-SJLPKXTDSA-N 1 3 309.498 2.046 20 0 DEADHO CCN1CCC([N@H+]2CCCN(C[C@H]3CC[C@@H](C)O3)CC2)CC1 ZINC000420977385 279258650 /nfs/dbraw/zinc/25/86/50/279258650.db2.gz HXYQSVYEXRUNMF-SJLPKXTDSA-N 1 3 309.498 2.046 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CCC3(C2)CCCCC3)CC1 ZINC000129924231 279259501 /nfs/dbraw/zinc/25/95/01/279259501.db2.gz SBGDNLAVYIBTIR-UHFFFAOYSA-N 1 3 307.482 2.243 20 0 DEADHO Clc1cccc2c1CC[C@@H]2N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420348922 279295362 /nfs/dbraw/zinc/29/53/62/279295362.db2.gz NKVGKDQQZOMXCZ-GUYCJALGSA-N 1 3 305.853 2.307 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCC23CCOCC3)C[C@@H](C)O1 ZINC000367064159 288161539 /nfs/dbraw/zinc/16/15/39/288161539.db2.gz BSWFKLIXNOVSRL-ZACQAIPSSA-N 1 3 310.482 2.425 20 0 DEADHO O=C([C@@H]1CCCN1C1CC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000427061523 280085558 /nfs/dbraw/zinc/08/55/58/280085558.db2.gz LZYUVOCVMOXFEV-OLMNPRSZSA-N 1 3 317.477 2.089 20 0 DEADHO O=C([C@@H]1CCCN1C1CC1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000427061523 280085559 /nfs/dbraw/zinc/08/55/59/280085559.db2.gz LZYUVOCVMOXFEV-OLMNPRSZSA-N 1 3 317.477 2.089 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)CN1CCCCC1)[NH+]1CCCCC1 ZINC000354688643 280182046 /nfs/dbraw/zinc/18/20/46/280182046.db2.gz UXMZOMMTWKRNCR-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC[NH+](CC)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000075346675 281561439 /nfs/dbraw/zinc/56/14/39/281561439.db2.gz NNCOYRIWDPSVFI-KRWDZBQOSA-N 1 3 303.450 2.305 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000079293456 281589504 /nfs/dbraw/zinc/58/95/04/281589504.db2.gz ZABJYZSDNHOZKE-IRXDYDNUSA-N 1 3 322.497 2.131 20 0 DEADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000290204149 288355673 /nfs/dbraw/zinc/35/56/73/288355673.db2.gz RQDVZUVQWVTUTC-DLBZAZTESA-N 1 3 321.440 2.104 20 0 DEADHO C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]CCOCCN(C)C ZINC000447599307 533692108 /nfs/dbraw/zinc/69/21/08/533692108.db2.gz JXIWRMOIGAYVBE-AWEZNQCLSA-N 1 3 304.438 2.052 20 0 DEADHO CN(C)CCN(C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])C1CCCC1 ZINC000418424078 289121543 /nfs/dbraw/zinc/12/15/43/289121543.db2.gz JYWSHBORCLXVSE-ZBFHGGJFSA-N 1 3 310.486 2.020 20 0 DEADHO CN(C)[C@@H](CNC(=O)[C@@H](C[NH3+])c1ccccc1)c1ccccc1 ZINC000237139816 289284639 /nfs/dbraw/zinc/28/46/39/289284639.db2.gz KUUNPSIIMIQVCV-ROUUACIJSA-N 1 3 311.429 2.148 20 0 DEADHO CN1CCC(N2CC[C@@H]([NH2+][C@@H]3CCCC34CCOCC4)C2)CC1 ZINC000370298776 289882224 /nfs/dbraw/zinc/88/22/24/289882224.db2.gz QKGUQRZIYTYPEA-SJLPKXTDSA-N 1 3 321.509 2.094 20 0 DEADHO C[C@H]1CCC[C@](CNC(=O)C23CCCN2CCC3)([NH+](C)C)C1 ZINC000368011926 299908925 /nfs/dbraw/zinc/90/89/25/299908925.db2.gz LIHXNDVJGPORJR-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO N[C@@H](CC1CCCCC1)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000423640427 295294488 /nfs/dbraw/zinc/29/44/88/295294488.db2.gz KDABOVQGAUYZAG-RYUDHWBXSA-N 1 3 322.478 2.195 20 0 DEADHO N[C@@H]1CCC[C@@H]1[NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000422811609 295307178 /nfs/dbraw/zinc/30/71/78/295307178.db2.gz UTKICQXRMCHQFY-IXDOHACOSA-N 1 3 323.868 2.183 20 0 DEADHO C[C@@H]1C[C@@H](CN2CCNC(=O)[C@@H]2CC2CCCCC2)CC[NH2+]1 ZINC000422558555 297252320 /nfs/dbraw/zinc/25/23/20/297252320.db2.gz OLDJPDQECBVFRE-PVAVHDDUSA-N 1 3 307.482 2.145 20 0 DEADHO O=C(c1ccc2c(c1)CNC2)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000347527416 304537719 /nfs/dbraw/zinc/53/77/19/304537719.db2.gz RLBKBOJJTIOVOY-GOSISDBHSA-N 1 3 313.445 2.380 20 0 DEADHO C[C@H](CC(C)(C)O)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423154119 298325543 /nfs/dbraw/zinc/32/55/43/298325543.db2.gz HEFSJUUSHGQSJD-XUWXXGDYSA-N 1 3 304.434 2.381 20 0 DEADHO Cc1ccc([C@H](CNC(=O)N(C)[C@H](C)C[NH3+])N2CCCC2)cc1 ZINC000417355059 301793173 /nfs/dbraw/zinc/79/31/73/301793173.db2.gz NCQCKEKILMMWEW-WBVHZDCISA-N 1 3 318.465 2.121 20 0 DEADHO Cc1cc(C[NH2+]CCc2ccc(OCCN(C)C)cc2)n(C)n1 ZINC000417904977 533695325 /nfs/dbraw/zinc/69/53/25/533695325.db2.gz BDFHFSLBWRDDPU-UHFFFAOYSA-N 1 3 316.449 2.001 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)NCCC[NH2+]C1CCCCC1 ZINC001349330517 1151241689 /nfs/dbraw/zinc/24/16/89/1151241689.db2.gz ORKQIQGRXKJKSP-INIZCTEOSA-N 1 3 310.486 2.082 20 0 DEADHO [NH3+][C@H]1CCC[C@@H](NCCOc2ccc(C(F)(F)F)cn2)C1 ZINC000573020895 326012489 /nfs/dbraw/zinc/01/24/89/326012489.db2.gz YYNNSRRWYXGROE-NWDGAFQWSA-N 1 3 303.328 2.339 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H]1C)c1ccsc1 ZINC000573601468 326073681 /nfs/dbraw/zinc/07/36/81/326073681.db2.gz IUFGXLTVJJTOPH-VHDGCEQUSA-N 1 3 309.479 2.245 20 0 DEADHO CC[N@H+](C)C[C@H](O)CN1CCC[C@@H](Cc2ccc(OC)cc2)C1 ZINC000575068996 326216007 /nfs/dbraw/zinc/21/60/07/326216007.db2.gz JUBKCKGUJRNZCP-ROUUACIJSA-N 1 3 320.477 2.262 20 0 DEADHO CC[N@@H+](C)C[C@H](O)CN1CCC[C@@H](Cc2ccc(OC)cc2)C1 ZINC000575068996 326216010 /nfs/dbraw/zinc/21/60/10/326216010.db2.gz JUBKCKGUJRNZCP-ROUUACIJSA-N 1 3 320.477 2.262 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C[C@H]2CCCC[C@@H]2O)CC1 ZINC000576455844 326294726 /nfs/dbraw/zinc/29/47/26/326294726.db2.gz KOWVSRXDRHRNHK-HCXYKTFWSA-N 1 3 323.525 2.028 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C[C@H]2CCCC[C@@H]2O)CC1 ZINC000576455844 326294729 /nfs/dbraw/zinc/29/47/29/326294729.db2.gz KOWVSRXDRHRNHK-HCXYKTFWSA-N 1 3 323.525 2.028 20 0 DEADHO CCc1ccc([C@H](CNC(=O)N[C@@H](C)C[C@H](C)[NH3+])N(C)C)cc1 ZINC000577391934 326363446 /nfs/dbraw/zinc/36/34/46/326363446.db2.gz CNFUUHNWZQTSKM-ZQIUZPCESA-N 1 3 320.481 2.277 20 0 DEADHO O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000378959541 333067476 /nfs/dbraw/zinc/06/74/76/333067476.db2.gz PBRXQUQZMRVYPE-UURKPOQGSA-N 1 3 300.446 2.400 20 0 DEADHO CC(C)[C@@H](C[NH3+])C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388436099 333306160 /nfs/dbraw/zinc/30/61/60/333306160.db2.gz DDFZAFZXEOXQAJ-QZTJIDSGSA-N 1 3 317.477 2.340 20 0 DEADHO CN(C(=O)[C@@]1(C)CC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388474497 333313081 /nfs/dbraw/zinc/31/30/81/333313081.db2.gz JGRDXQUSXAYESL-HKUYNNGSSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CC[NH2+]C1CC1 ZINC000398116407 337306138 /nfs/dbraw/zinc/30/61/38/337306138.db2.gz FWENTTUHAPKUOW-QAPCUYQASA-N 1 3 315.461 2.155 20 0 DEADHO CC(C)[NH2+]CC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000398161525 337307718 /nfs/dbraw/zinc/30/77/18/337307718.db2.gz SDRHAEJSIRYAJM-NVXWUHKLSA-N 1 3 303.450 2.011 20 0 DEADHO CC(C)[NH2+]CC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000398161529 337307724 /nfs/dbraw/zinc/30/77/24/337307724.db2.gz SDRHAEJSIRYAJM-WBVHZDCISA-N 1 3 303.450 2.011 20 0 DEADHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000583747055 337328515 /nfs/dbraw/zinc/32/85/15/337328515.db2.gz RFHLAMUYEHEWRY-MSOLQXFVSA-N 1 3 304.434 2.352 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[N@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001378191704 1152205240 /nfs/dbraw/zinc/20/52/40/1152205240.db2.gz HFOIXVMRLSVLLC-UONOGXRCSA-N 1 3 319.440 2.200 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[N@@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001378191704 1152205244 /nfs/dbraw/zinc/20/52/44/1152205244.db2.gz HFOIXVMRLSVLLC-UONOGXRCSA-N 1 3 319.440 2.200 20 0 DEADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1cccc(C)c1 ZINC001378250705 1152253328 /nfs/dbraw/zinc/25/33/28/1152253328.db2.gz IPSAIAOZJLTWOH-KRWDZBQOSA-N 1 3 317.477 2.464 20 0 DEADHO CC[C@H](C(=O)NC[C@H](CC)[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001378260884 1152260322 /nfs/dbraw/zinc/26/03/22/1152260322.db2.gz IDUFMMPJDWYSNG-JKSUJKDBSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN(C)CCc1cccs1 ZINC001377152189 1159990981 /nfs/dbraw/zinc/99/09/81/1159990981.db2.gz VJXOQEHBAXKTGT-INIZCTEOSA-N 1 3 323.506 2.211 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN(C)CCc1cccs1 ZINC001377152189 1159990992 /nfs/dbraw/zinc/99/09/92/1159990992.db2.gz VJXOQEHBAXKTGT-INIZCTEOSA-N 1 3 323.506 2.211 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](CCC2CC2)CC1(C)C ZINC001377330057 1160224998 /nfs/dbraw/zinc/22/49/98/1160224998.db2.gz URDKQRZMICSRSU-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](CCC2CC2)CC1(C)C ZINC001377330057 1160225006 /nfs/dbraw/zinc/22/50/06/1160225006.db2.gz URDKQRZMICSRSU-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)NC1(C[NH2+]CC[C@@H](C)F)CCCCC1 ZINC001329860116 1149004240 /nfs/dbraw/zinc/00/42/40/1149004240.db2.gz BVBGOMNWXYZFMM-OAHLLOKOSA-N 1 3 315.477 2.483 20 0 DEADHO C[C@@H](F)CC[NH2+][C@@H]1CC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001378454715 1152336075 /nfs/dbraw/zinc/33/60/75/1152336075.db2.gz XYAGVZVDVQJTPD-FZKCQIBNSA-N 1 3 313.461 2.093 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]C/C=C/Cl)CC1)N(C)C ZINC001378454998 1152336271 /nfs/dbraw/zinc/33/62/71/1152336271.db2.gz ZMMWDVZNFDVHIS-QXDANOCHSA-N 1 3 301.862 2.096 20 0 DEADHO CC[C@@H](C(=O)NCCC1CC[NH+](CCC2CC2)CC1)N(C)C ZINC001378482379 1152345266 /nfs/dbraw/zinc/34/52/66/1152345266.db2.gz IMCCKNVLMCPVQR-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](C(=O)N[C@@H](C)C1C[NH+](CC2CCC2)C1)N1CCCCCC1 ZINC001378557935 1152375486 /nfs/dbraw/zinc/37/54/86/1152375486.db2.gz KWJUNCMGOAQYKT-JKSUJKDBSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@@H+](CC(C)C)CC[C@H]21 ZINC001398589476 1161005158 /nfs/dbraw/zinc/00/51/58/1161005158.db2.gz VBIJFXXVDUVZAG-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)C[NH2+]CC1CCCC1 ZINC001378606057 1152392140 /nfs/dbraw/zinc/39/21/40/1152392140.db2.gz OEHOIGFTKMYVKE-HNNXBMFYSA-N 1 3 311.514 2.496 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C[NH2+]CC1CCC1)C(C)(C)C)N(C)C ZINC001369560730 1149039709 /nfs/dbraw/zinc/03/97/09/1149039709.db2.gz FWAQGNSCHSHZNN-JKSUJKDBSA-N 1 3 311.514 2.493 20 0 DEADHO C[C@H](NCCC[N@@H+]1CCCN(C)CC1)c1ccncc1Cl ZINC000421825844 533849470 /nfs/dbraw/zinc/84/94/70/533849470.db2.gz PNAIWOOGYPGNAB-AWEZNQCLSA-N 1 3 310.873 2.413 20 0 DEADHO C[C@H](NCCC[N@H+]1CCCN(C)CC1)c1ccncc1Cl ZINC000421825844 533849481 /nfs/dbraw/zinc/84/94/81/533849481.db2.gz PNAIWOOGYPGNAB-AWEZNQCLSA-N 1 3 310.873 2.413 20 0 DEADHO C[C@@H](CNCc1sccc1Cl)N(C)C(=O)CC[NH+](C)C ZINC001378805662 1152451995 /nfs/dbraw/zinc/45/19/95/1152451995.db2.gz CYTODRKJDHGVPV-NSHDSACASA-N 1 3 317.886 2.290 20 0 DEADHO C[C@H](NCc1ccc(OCCN(C)C)cc1)[C@H]1CCCC[NH2+]1 ZINC000422896811 533921321 /nfs/dbraw/zinc/92/13/21/533921321.db2.gz IPNXXNRAPQKYFI-MAUKXSAKSA-N 1 3 305.466 2.247 20 0 DEADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1cnccc1N ZINC000422899036 533931542 /nfs/dbraw/zinc/93/15/42/533931542.db2.gz NKCGTYISAXPPPS-AWEZNQCLSA-N 1 3 314.433 2.285 20 0 DEADHO CCc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH]cn1 ZINC001378825463 1152459043 /nfs/dbraw/zinc/45/90/43/1152459043.db2.gz PRXCSZCOJRMGRN-AWEZNQCLSA-N 1 3 314.433 2.151 20 0 DEADHO COc1ccccc1N1CC[C@H](CN[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422849881 534150747 /nfs/dbraw/zinc/15/07/47/534150747.db2.gz MMMDODLOISNNHM-OAGGEKHMSA-N 1 3 303.450 2.109 20 0 DEADHO OC[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000297583891 534386827 /nfs/dbraw/zinc/38/68/27/534386827.db2.gz IQNPZNIJPPXZOW-KRWDZBQOSA-N 1 3 311.429 2.416 20 0 DEADHO CCN1CCC(NC(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000339520902 521573306 /nfs/dbraw/zinc/57/33/06/521573306.db2.gz FLEGIAMZLXJKJI-UHFFFAOYSA-N 1 3 322.497 2.131 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]C[C@H]2CCCN2CC)[C@@H](C)C1 ZINC000156563846 521707308 /nfs/dbraw/zinc/70/73/08/521707308.db2.gz BHMBHYKJESDISH-RCCFBDPRSA-N 1 3 311.514 2.197 20 0 DEADHO COCC[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)C(C)(C)C ZINC000338348923 521857375 /nfs/dbraw/zinc/85/73/75/521857375.db2.gz MQEPYXPJQVSHHJ-QGZVFWFLSA-N 1 3 313.530 2.443 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000365999146 521930972 /nfs/dbraw/zinc/93/09/72/521930972.db2.gz JJHKDSIJWHACLD-MRXNPFEDSA-N 1 3 315.461 2.306 20 0 DEADHO COC[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)C(C)C ZINC000126726062 522748942 /nfs/dbraw/zinc/74/89/42/522748942.db2.gz ZCIHGERJRPICJS-IBGZPJMESA-N 1 3 319.493 2.195 20 0 DEADHO Cc1cccc(C)c1OCCC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N ZINC000422949142 534681736 /nfs/dbraw/zinc/68/17/36/534681736.db2.gz SXPMVNGEAHTRFF-YESZJQIVSA-N 1 3 306.450 2.414 20 0 DEADHO Cc1cccc(C)c1OCCCN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422949142 534681739 /nfs/dbraw/zinc/68/17/39/534681739.db2.gz SXPMVNGEAHTRFF-YESZJQIVSA-N 1 3 306.450 2.414 20 0 DEADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(-n2ccnc2)c(F)c1 ZINC000105480463 524563983 /nfs/dbraw/zinc/56/39/83/524563983.db2.gz XDBNXIONFQTQTR-BBRMVZONSA-N 1 3 302.397 2.441 20 0 DEADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(-n2ccnc2)c(F)c1 ZINC000105480463 524563991 /nfs/dbraw/zinc/56/39/91/524563991.db2.gz XDBNXIONFQTQTR-BBRMVZONSA-N 1 3 302.397 2.441 20 0 DEADHO C[C@@H](CNC(=O)NCCC[NH2+]C1CCCCC1)N(C)C1CC1 ZINC000105266122 524675774 /nfs/dbraw/zinc/67/57/74/524675774.db2.gz YWLZFXLEDZDATO-AWEZNQCLSA-N 1 3 310.486 2.081 20 0 DEADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)N[C@@H]1CC[NH2+]C1 ZINC000422731183 526620427 /nfs/dbraw/zinc/62/04/27/526620427.db2.gz NBOHJXKCZYZCCT-QZTJIDSGSA-N 1 3 301.478 2.411 20 0 DEADHO Cc1nn(-c2ccccn2)c(C)c1CNCC1CC[NH+](C)CC1 ZINC000338455777 527566546 /nfs/dbraw/zinc/56/65/46/527566546.db2.gz RQYHZILFTCSYGR-UHFFFAOYSA-N 1 3 313.449 2.316 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000418357390 527662944 /nfs/dbraw/zinc/66/29/44/527662944.db2.gz ZGQMWPSBCSMZDW-MRXNPFEDSA-N 1 3 324.513 2.140 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@@H](N)c1ccccc1 ZINC000418209188 527995333 /nfs/dbraw/zinc/99/53/33/527995333.db2.gz WJYJAXHGLQZQRT-GOEBONIOSA-N 1 3 306.454 2.106 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@@H](N)c1ccccc1 ZINC000418209188 527995341 /nfs/dbraw/zinc/99/53/41/527995341.db2.gz WJYJAXHGLQZQRT-GOEBONIOSA-N 1 3 306.454 2.106 20 0 DEADHO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCCNCC2)c1 ZINC000416989637 528193845 /nfs/dbraw/zinc/19/38/45/528193845.db2.gz VUVGVDBLUZREDB-UHFFFAOYSA-N 1 3 318.465 2.033 20 0 DEADHO CCN(CC)[C@H](CNC(=O)NC(C)(C)CC[NH3+])c1ccccc1 ZINC000422589878 528273686 /nfs/dbraw/zinc/27/36/86/528273686.db2.gz KHBUANOUFCBSRK-MRXNPFEDSA-N 1 3 320.481 2.496 20 0 DEADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000416842126 528275211 /nfs/dbraw/zinc/27/52/11/528275211.db2.gz MRTQTHRLEWVHEJ-IAGOWNOFSA-N 1 3 318.465 2.121 20 0 DEADHO CC[NH2+]CC1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000418116921 528282836 /nfs/dbraw/zinc/28/28/36/528282836.db2.gz RBPKXENMXWBJBS-KRWDZBQOSA-N 1 3 322.497 2.034 20 0 DEADHO CC[NH2+]CC1CCN(C(=O)NC[C@@H](C)N2CCC(C)CC2)CC1 ZINC000417316594 528283542 /nfs/dbraw/zinc/28/35/42/528283542.db2.gz UOGMHGUJWWIJQY-MRXNPFEDSA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418242899 528312781 /nfs/dbraw/zinc/31/27/81/528312781.db2.gz VLHZUJRKDMKKTG-ZACQAIPSSA-N 1 3 324.513 2.314 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000418232470 528313187 /nfs/dbraw/zinc/31/31/87/528313187.db2.gz DVAILLAATQBMLF-INIZCTEOSA-N 1 3 324.513 2.186 20 0 DEADHO CCN(CCNC(=O)NCC[NH2+]C1CCCCCC1)C1CC1 ZINC000417419389 528492201 /nfs/dbraw/zinc/49/22/01/528492201.db2.gz CXCSNEKJDGLVNK-UHFFFAOYSA-N 1 3 310.486 2.082 20 0 DEADHO CC(C)[C@@H]([NH3+])CNC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000417708505 528520572 /nfs/dbraw/zinc/52/05/72/528520572.db2.gz SCYBSJRGZNUUOF-HOCLYGCPSA-N 1 3 320.481 2.398 20 0 DEADHO CCOc1ccc(NC(=O)[C@H](C)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443057037 528544917 /nfs/dbraw/zinc/54/49/17/528544917.db2.gz FCDTYKHFGZMCTP-LSDHHAIUSA-N 1 3 319.449 2.473 20 0 DEADHO CCCCNC(=O)c1ccc(CN[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422948060 528550605 /nfs/dbraw/zinc/55/06/05/528550605.db2.gz ZIHRORCGFATULR-IRXDYDNUSA-N 1 3 303.450 2.434 20 0 DEADHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000417577367 528808911 /nfs/dbraw/zinc/80/89/11/528808911.db2.gz JGAJJACGQIYSNN-RDJZCZTQSA-N 1 3 320.481 2.324 20 0 DEADHO CCC(CC)[C@@H](C[NH2+][C@@H](C)[C@H]1CCCCN1)N1CCOCC1 ZINC000422817790 528822429 /nfs/dbraw/zinc/82/24/29/528822429.db2.gz INYKXZSWNCIOCR-CGTJXYLNSA-N 1 3 311.514 2.244 20 0 DEADHO CCC(CC)[C@H](C[NH2+][C@@H](C)C[C@H]1COCCN1)N1CCCC1 ZINC000422820982 528855189 /nfs/dbraw/zinc/85/51/89/528855189.db2.gz TXTAQYBPKIXYOB-SZMVWBNQSA-N 1 3 311.514 2.244 20 0 DEADHO CCC(CC)[C@H](CN[C@@H](C)C[C@H]1COCCN1)[NH+]1CCCC1 ZINC000422820982 528855193 /nfs/dbraw/zinc/85/51/93/528855193.db2.gz TXTAQYBPKIXYOB-SZMVWBNQSA-N 1 3 311.514 2.244 20 0 DEADHO CCN(C(=O)NCC(C)(C)[NH3+])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418431193 528987066 /nfs/dbraw/zinc/98/70/66/528987066.db2.gz QHAVZFXCRYKTMI-MRXNPFEDSA-N 1 3 318.465 2.030 20 0 DEADHO CC(C)[C@H](CNC1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000422945604 529012161 /nfs/dbraw/zinc/01/21/61/529012161.db2.gz VDXYMTCSKAVNLP-IBGZPJMESA-N 1 3 301.478 2.411 20 0 DEADHO CC(C)N1CC[C@H](N(C)C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000418475351 529074966 /nfs/dbraw/zinc/07/49/66/529074966.db2.gz ZCCKUZJITLDXQC-PBHICJAKSA-N 1 3 318.465 2.330 20 0 DEADHO CC1(C)C[C@@H](NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)CO1 ZINC000417977639 529139691 /nfs/dbraw/zinc/13/96/91/529139691.db2.gz HDFWNBFAUNAUQJ-MSOLQXFVSA-N 1 3 318.461 2.300 20 0 DEADHO CC1(C)C[C@@H](NCc2ccccc2C[N@H+]2CCC[C@H]2CO)CO1 ZINC000417977639 529139692 /nfs/dbraw/zinc/13/96/92/529139692.db2.gz HDFWNBFAUNAUQJ-MSOLQXFVSA-N 1 3 318.461 2.300 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N1CCCC[C@@H]1C[NH3+])c1ccco1 ZINC000418165457 529182651 /nfs/dbraw/zinc/18/26/51/529182651.db2.gz JNQPJQFDKZMSRH-RRFJBIMHSA-N 1 3 322.453 2.232 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000417695801 529200325 /nfs/dbraw/zinc/20/03/25/529200325.db2.gz GFNAQNCLKFZPGW-HOTGVXAUSA-N 1 3 312.502 2.266 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)CC1 ZINC000374208386 535198339 /nfs/dbraw/zinc/19/83/39/535198339.db2.gz ZPEVKCRYDPIKAN-QGZVFWFLSA-N 1 3 319.497 2.005 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)CC1 ZINC000374208386 535198342 /nfs/dbraw/zinc/19/83/42/535198342.db2.gz ZPEVKCRYDPIKAN-QGZVFWFLSA-N 1 3 319.497 2.005 20 0 DEADHO CCN1CCN(CCC[NH2+]C2CCC3(CCCO3)CC2)CC1 ZINC000370059301 535697688 /nfs/dbraw/zinc/69/76/88/535697688.db2.gz HARTZCZRRHRJSH-UHFFFAOYSA-N 1 3 309.498 2.095 20 0 DEADHO CN(C)CCOc1cccc(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000261688411 535910577 /nfs/dbraw/zinc/91/05/77/535910577.db2.gz HMPMRGJALJEZGW-XJKSGUPXSA-N 1 3 305.422 2.083 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000456335307 536042274 /nfs/dbraw/zinc/04/22/74/536042274.db2.gz WJEXWGUSFLMKAY-MQVJKMGUSA-N 1 3 301.434 2.103 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000456335307 536042279 /nfs/dbraw/zinc/04/22/79/536042279.db2.gz WJEXWGUSFLMKAY-MQVJKMGUSA-N 1 3 301.434 2.103 20 0 DEADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000449129061 536351507 /nfs/dbraw/zinc/35/15/07/536351507.db2.gz BFCURDONIWVMLC-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO COCCOc1cccc(CN2CCC(OCCC[NH3+])CC2)c1 ZINC000346643371 536706396 /nfs/dbraw/zinc/70/63/96/536706396.db2.gz DDADOOPZLVOHJD-UHFFFAOYSA-N 1 3 322.449 2.042 20 0 DEADHO CC[C@@H](C)C[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC001425950078 1174531587 /nfs/dbraw/zinc/53/15/87/1174531587.db2.gz CVQUZCFWCLSJEW-ZBFHGGJFSA-N 1 3 309.498 2.343 20 0 DEADHO CC1CC(C[NH+]2CCC(N(C)C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001369753963 1149145964 /nfs/dbraw/zinc/14/59/64/1149145964.db2.gz PMGZCRTTXIRWSF-UHFFFAOYSA-N 1 3 321.509 2.440 20 0 DEADHO CCCN1CCc2ccccc2[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001368753767 1148637900 /nfs/dbraw/zinc/63/79/00/1148637900.db2.gz JWCBQFVFDHZJGB-SFHVURJKSA-N 1 3 317.477 2.454 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001379383312 1152617604 /nfs/dbraw/zinc/61/76/04/1152617604.db2.gz DSALNTTYRKLOPN-CJNGLKHVSA-N 1 3 309.429 2.006 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(C)c(C)c1 ZINC001379600776 1152649637 /nfs/dbraw/zinc/64/96/37/1152649637.db2.gz ZGUBSWAVCIKLJG-INIZCTEOSA-N 1 3 305.466 2.240 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C1CC[NH+](CC2CCC2)CC1)N(C)C ZINC001369789448 1149194625 /nfs/dbraw/zinc/19/46/25/1149194625.db2.gz QTQFWOSBTIHSCQ-QGZVFWFLSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)CC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC001369434756 1148984055 /nfs/dbraw/zinc/98/40/55/1148984055.db2.gz INTSSBZZKNVVQD-OAHLLOKOSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC001363248746 1153293260 /nfs/dbraw/zinc/29/32/60/1153293260.db2.gz ZFSQGVPYBHWGEB-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]21 ZINC001026360623 625353485 /nfs/dbraw/zinc/35/34/85/625353485.db2.gz LTYGVBJULRGWOA-YESZJQIVSA-N 1 3 321.509 2.201 20 0 DEADHO N[C@@H](CC1CC1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000318805648 625376693 /nfs/dbraw/zinc/37/66/93/625376693.db2.gz AMUVRDWZMZMBPY-INIZCTEOSA-N 1 3 307.482 2.419 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN(Cc3ccsc3)C2)C1 ZINC001023749910 625421237 /nfs/dbraw/zinc/42/12/37/625421237.db2.gz CPAUHPHBHZSPOT-GOEBONIOSA-N 1 3 321.490 2.028 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN(Cc3ccsc3)C2)C1 ZINC001023749910 625421238 /nfs/dbraw/zinc/42/12/38/625421238.db2.gz CPAUHPHBHZSPOT-GOEBONIOSA-N 1 3 321.490 2.028 20 0 DEADHO CCN1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000969680431 622880165 /nfs/dbraw/zinc/88/01/65/622880165.db2.gz LSKHICXBPSRYOD-CABCVRRESA-N 1 3 307.482 2.097 20 0 DEADHO CCN1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000969680431 622880169 /nfs/dbraw/zinc/88/01/69/622880169.db2.gz LSKHICXBPSRYOD-CABCVRRESA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC001020590325 622927601 /nfs/dbraw/zinc/92/76/01/622927601.db2.gz SJAGTLRTCQRKQF-XIRDDKMYSA-N 1 3 319.493 2.145 20 0 DEADHO CC(C)=CCN1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000969829229 622936689 /nfs/dbraw/zinc/93/66/89/622936689.db2.gz AVCALAAXCLKFJM-DLBZAZTESA-N 1 3 321.509 2.367 20 0 DEADHO CC(C)=CCN1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000969829229 622936690 /nfs/dbraw/zinc/93/66/90/622936690.db2.gz AVCALAAXCLKFJM-DLBZAZTESA-N 1 3 321.509 2.367 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1)N(C)C ZINC000969991927 623042385 /nfs/dbraw/zinc/04/23/85/623042385.db2.gz OYALFHQBXPYYKY-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001020981013 623235734 /nfs/dbraw/zinc/23/57/34/623235734.db2.gz WYFNFYGDZBQOSB-WKILWMFISA-N 1 3 312.417 2.006 20 0 DEADHO C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CN(CC2=CCCCC2)C1 ZINC000970365675 623420692 /nfs/dbraw/zinc/42/06/92/623420692.db2.gz DVNSUBSFLFOTGN-OAHLLOKOSA-N 1 3 319.493 2.265 20 0 DEADHO C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(CC2=CCCCC2)C1 ZINC000970744669 623655380 /nfs/dbraw/zinc/65/53/80/623655380.db2.gz GQYAYPLDCNNAKY-HNNXBMFYSA-N 1 3 317.477 2.019 20 0 DEADHO CC1CCC(N2CCN(C(=O)NCCC(C)(C)[NH3+])CC2)CC1 ZINC000892857854 625672434 /nfs/dbraw/zinc/67/24/34/625672434.db2.gz AKGAMEVMCFHKMK-UHFFFAOYSA-N 1 3 310.486 2.020 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021679712 623946711 /nfs/dbraw/zinc/94/67/11/623946711.db2.gz RGBMVABFFIHWNA-NVXWUHKLSA-N 1 3 318.465 2.311 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021679712 623946714 /nfs/dbraw/zinc/94/67/14/623946714.db2.gz RGBMVABFFIHWNA-NVXWUHKLSA-N 1 3 318.465 2.311 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCC2CCCC2)C1 ZINC000971200460 624068222 /nfs/dbraw/zinc/06/82/22/624068222.db2.gz GQDLUWMWBABTCI-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCC2CCCC2)C1 ZINC000971200460 624068224 /nfs/dbraw/zinc/06/82/24/624068224.db2.gz GQDLUWMWBABTCI-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)C1CCCN(C2CC2)C1=O ZINC000924050656 624115734 /nfs/dbraw/zinc/11/57/34/624115734.db2.gz IDICUMUPLWUJPU-CVEARBPZSA-N 1 3 322.449 2.194 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1COC(=O)C1CCCN(C2CC2)C1=O ZINC000924050656 624115735 /nfs/dbraw/zinc/11/57/35/624115735.db2.gz IDICUMUPLWUJPU-CVEARBPZSA-N 1 3 322.449 2.194 20 0 DEADHO CN(CC(=O)N1CC[C@@H]([N@H+](C)CC2CCCC2)C1)C1CCC1 ZINC000971687935 624505282 /nfs/dbraw/zinc/50/52/82/624505282.db2.gz QGRXQXMSNCOODI-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO CN(CC(=O)N1CC[C@@H]([N@@H+](C)CC2CCCC2)C1)C1CCC1 ZINC000971687935 624505283 /nfs/dbraw/zinc/50/52/83/624505283.db2.gz QGRXQXMSNCOODI-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO CN(CCCCCC[NH3+])C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000891858322 624632592 /nfs/dbraw/zinc/63/25/92/624632592.db2.gz NUYJCYOOAKNBKX-MRXNPFEDSA-N 1 3 310.486 2.164 20 0 DEADHO OCc1cnccc1NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000892078347 624773229 /nfs/dbraw/zinc/77/32/29/624773229.db2.gz LFWJOKBKLAVKKK-QGZVFWFLSA-N 1 3 311.429 2.320 20 0 DEADHO OCc1cnccc1NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000892078347 624773230 /nfs/dbraw/zinc/77/32/30/624773230.db2.gz LFWJOKBKLAVKKK-QGZVFWFLSA-N 1 3 311.429 2.320 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001022711531 624863794 /nfs/dbraw/zinc/86/37/94/624863794.db2.gz AIVXPWPFLZZIGD-RYQLBKOJSA-N 1 3 315.461 2.216 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001022712801 624865559 /nfs/dbraw/zinc/86/55/59/624865559.db2.gz ZZXAVSPFOJRESB-OIISXLGYSA-N 1 3 319.493 2.288 20 0 DEADHO CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972335334 624932916 /nfs/dbraw/zinc/93/29/16/624932916.db2.gz OOPNLMBIGVWNSZ-WMLDXEAASA-N 1 3 313.461 2.140 20 0 DEADHO CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972335334 624932917 /nfs/dbraw/zinc/93/29/17/624932917.db2.gz OOPNLMBIGVWNSZ-WMLDXEAASA-N 1 3 313.461 2.140 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(F)cc2)C1)N(C)C ZINC000972355001 624939538 /nfs/dbraw/zinc/93/95/38/624939538.db2.gz QLWVMBJOVJMAOQ-SJORKVTESA-N 1 3 321.440 2.199 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(F)cc2)C1)N(C)C ZINC000972355001 624939540 /nfs/dbraw/zinc/93/95/40/624939540.db2.gz QLWVMBJOVJMAOQ-SJORKVTESA-N 1 3 321.440 2.199 20 0 DEADHO C[C@H](N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)c1ccccc1F ZINC001023086829 625151909 /nfs/dbraw/zinc/15/19/09/625151909.db2.gz YMKMRZOCQRXOEA-ZQDZILKHSA-N 1 3 319.424 2.075 20 0 DEADHO C[C@H](N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)c1ccccc1F ZINC001023086829 625151911 /nfs/dbraw/zinc/15/19/11/625151911.db2.gz YMKMRZOCQRXOEA-ZQDZILKHSA-N 1 3 319.424 2.075 20 0 DEADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)NCCCCCCC[NH+](C)C ZINC000892339958 625164570 /nfs/dbraw/zinc/16/45/70/625164570.db2.gz KEBWQCYVOJIEJY-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC000935002234 625178965 /nfs/dbraw/zinc/17/89/65/625178965.db2.gz SVUZEKUGWXGEIP-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC000935002234 625178966 /nfs/dbraw/zinc/17/89/66/625178966.db2.gz SVUZEKUGWXGEIP-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1cccc(-n2cnnn2)c1 ZINC000161001433 625179731 /nfs/dbraw/zinc/17/97/31/625179731.db2.gz SEAHFYAADZBURD-IMJJTQAJSA-N 1 3 314.437 2.186 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001023365063 625238972 /nfs/dbraw/zinc/23/89/72/625238972.db2.gz WBKHPLZITALNHJ-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001023365063 625238977 /nfs/dbraw/zinc/23/89/77/625238977.db2.gz WBKHPLZITALNHJ-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001023364557 625239089 /nfs/dbraw/zinc/23/90/89/625239089.db2.gz LJMPTTPBISWHJT-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001023364557 625239092 /nfs/dbraw/zinc/23/90/92/625239092.db2.gz LJMPTTPBISWHJT-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001026267853 625240536 /nfs/dbraw/zinc/24/05/36/625240536.db2.gz RGZBBMGOJGOOTM-YESZJQIVSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1C[C@@H](Nc2ccc(N3CCN(C)CC3)cc2)CC[N@@H+]1C ZINC000182633198 625269194 /nfs/dbraw/zinc/26/91/94/625269194.db2.gz RQVFJRRZEBOTJW-RDJZCZTQSA-N 1 3 302.466 2.333 20 0 DEADHO C[C@H]1C[C@@H](Nc2ccc(N3CCN(C)CC3)cc2)CC[N@H+]1C ZINC000182633198 625269197 /nfs/dbraw/zinc/26/91/97/625269197.db2.gz RQVFJRRZEBOTJW-RDJZCZTQSA-N 1 3 302.466 2.333 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2CC2)C1 ZINC001027694192 634448813 /nfs/dbraw/zinc/44/88/13/634448813.db2.gz TZMMSXYYGKXZTN-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CC2)C1 ZINC001027694192 634448816 /nfs/dbraw/zinc/44/88/16/634448816.db2.gz TZMMSXYYGKXZTN-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1C[C@H](NC(=O)C(C)(C)N2CCCC2)CC[N@@H+]1CC1CC1 ZINC000947615737 625866300 /nfs/dbraw/zinc/86/63/00/625866300.db2.gz KTSQNEDIVKHFFA-GOEBONIOSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H]1C[C@H](NC(=O)C(C)(C)N2CCCC2)CC[N@H+]1CC1CC1 ZINC000947615737 625866304 /nfs/dbraw/zinc/86/63/04/625866304.db2.gz KTSQNEDIVKHFFA-GOEBONIOSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)=CCN1CCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001024634928 625944971 /nfs/dbraw/zinc/94/49/71/625944971.db2.gz YVQOYLRUNYQTJS-KRWDZBQOSA-N 1 3 307.482 2.265 20 0 DEADHO CN(CC(=O)N1CCC[C@H]([NH2+]CC2CCCC2)C1)C1CCC1 ZINC000999363090 634576114 /nfs/dbraw/zinc/57/61/14/634576114.db2.gz FRNBGLBGSFNQDV-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1ccc(C[NH2+]C2CC(N(C)C(=O)Cc3c[nH]cn3)C2)cc1 ZINC000999471244 634601711 /nfs/dbraw/zinc/60/17/11/634601711.db2.gz ZNYQMGVHMRBLGM-UHFFFAOYSA-N 1 3 312.417 2.040 20 0 DEADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+][C@H]2CCc3ccccc32)C1 ZINC000999470628 634601876 /nfs/dbraw/zinc/60/18/76/634601876.db2.gz TVPDEICEFAEIPF-PVARCSIZSA-N 1 3 324.428 2.219 20 0 DEADHO O=C(c1cccc(CN2CCCC2)c1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424032439 634614464 /nfs/dbraw/zinc/61/44/64/634614464.db2.gz VSUUZUAXPZHSKG-LJQANCHMSA-N 1 3 313.445 2.251 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2C)C1)N(C)C ZINC000999488779 634619013 /nfs/dbraw/zinc/61/90/13/634619013.db2.gz GYYCRZQGRLJGED-QZTJIDSGSA-N 1 3 317.477 2.416 20 0 DEADHO CC(C)[NH2+]C1CC(N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC000999871807 634697081 /nfs/dbraw/zinc/69/70/81/634697081.db2.gz ZLNAGPBVAAJVEJ-UHFFFAOYSA-N 1 3 303.450 2.349 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CCC2CC2)C(C)(C)C1)N(C)C ZINC000995926342 633141145 /nfs/dbraw/zinc/14/11/45/633141145.db2.gz MNCYVHFAHHUVQZ-CVEARBPZSA-N 1 3 309.498 2.199 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2ccccc2)C(C)(C)C1)N(C)C ZINC000995952716 633147357 /nfs/dbraw/zinc/14/73/57/633147357.db2.gz RVCDXIHUZNAUEG-IAGOWNOFSA-N 1 3 317.477 2.353 20 0 DEADHO CN(CC(=O)N1CC[C@H](C[NH2+]CC2CC(C)(C)C2)C1)C1CCC1 ZINC001026888349 633248130 /nfs/dbraw/zinc/24/81/30/633248130.db2.gz DNCGFHQLEGKDEQ-OAHLLOKOSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001026900751 633249332 /nfs/dbraw/zinc/24/93/32/633249332.db2.gz BYFRIAYCQXOZRB-RDJZCZTQSA-N 1 3 323.525 2.447 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2)C1)N(C)C ZINC001026902017 633250576 /nfs/dbraw/zinc/25/05/76/633250576.db2.gz YCUUMICKENSROO-ROUUACIJSA-N 1 3 317.477 2.211 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC000974777980 633300448 /nfs/dbraw/zinc/30/04/48/633300448.db2.gz VBKCKCKCXQFMGI-OAHLLOKOSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)C[N@H+]1C[C@@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC000974777980 633300451 /nfs/dbraw/zinc/30/04/51/633300451.db2.gz VBKCKCKCXQFMGI-OAHLLOKOSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]CC2CCCC2)C1)N(C)C ZINC001027043654 633369563 /nfs/dbraw/zinc/36/95/63/633369563.db2.gz JCMJYBXXEFQYDO-IAGOWNOFSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001027064017 633385346 /nfs/dbraw/zinc/38/53/46/633385346.db2.gz XKMCVCDAUKGVPP-FUHWJXTLSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]([NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1)c1ccccc1 ZINC000997034773 633562747 /nfs/dbraw/zinc/56/27/47/633562747.db2.gz FNLYDHMCZBFPEU-CQSZACIVSA-N 1 3 312.417 2.294 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC(C[NH2+]CC2CCC2)CC1)N(C)C ZINC000997844513 634007309 /nfs/dbraw/zinc/00/73/09/634007309.db2.gz PYPQPXIOKPJTMV-KRWDZBQOSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC1CC1 ZINC001027985319 635167492 /nfs/dbraw/zinc/16/74/92/635167492.db2.gz GRCVUSVEGWRBEG-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1CC1 ZINC001027985319 635167494 /nfs/dbraw/zinc/16/74/94/635167494.db2.gz GRCVUSVEGWRBEG-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[N@H+](CC2CC(C)C2)CC1 ZINC000981143799 635330066 /nfs/dbraw/zinc/33/00/66/635330066.db2.gz VSTDWDOBOFBIDU-DAWZGUTISA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[N@@H+](CC2CC(C)C2)CC1 ZINC000981143799 635330070 /nfs/dbraw/zinc/33/00/70/635330070.db2.gz VSTDWDOBOFBIDU-DAWZGUTISA-N 1 3 321.509 2.440 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCC2CC2)C1 ZINC001001010404 635378454 /nfs/dbraw/zinc/37/84/54/635378454.db2.gz TYIMNFCFUXDRPZ-IAGOWNOFSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2CCC[C@H]([NH2+]CCF)C2)c1 ZINC000981539109 635522361 /nfs/dbraw/zinc/52/23/61/635522361.db2.gz STBIPIJNEHRFPK-IRXDYDNUSA-N 1 3 321.440 2.348 20 0 DEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCCN2CCSC[C@H]12 ZINC000925824543 635703711 /nfs/dbraw/zinc/70/37/11/635703711.db2.gz AEDOEXHIZZNCDB-YYIAUSFCSA-N 1 3 311.539 2.467 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCCN2CCSC[C@@H]12 ZINC000925825314 635722124 /nfs/dbraw/zinc/72/21/24/635722124.db2.gz HRUZLOSOWMQCOK-XKQJLSEDSA-N 1 3 320.506 2.079 20 0 DEADHO CC(C)[C@H](C(=O)N1CC2(C1)CCC[N@H+](CCC1CC1)C2)N(C)C ZINC000981991387 635796130 /nfs/dbraw/zinc/79/61/30/635796130.db2.gz FXZFMDBGLCHVOV-QGZVFWFLSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[C@H](C(=O)N1CC2(C1)CCC[N@@H+](CCC1CC1)C2)N(C)C ZINC000981991387 635796134 /nfs/dbraw/zinc/79/61/34/635796134.db2.gz FXZFMDBGLCHVOV-QGZVFWFLSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC1CC[NH+](CC2CCC2)CC1 ZINC001002790999 635798144 /nfs/dbraw/zinc/79/81/44/635798144.db2.gz DBFACXFMEQNPPX-QGZVFWFLSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H]1CCN(CC(=O)NC2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001003626725 636005746 /nfs/dbraw/zinc/00/57/46/636005746.db2.gz VYRGTGUBXKQKSC-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CCN1C ZINC000922330141 636091186 /nfs/dbraw/zinc/09/11/86/636091186.db2.gz YNFRCCLSESUXDE-PVAVHDDUSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CCN1C ZINC000922330141 636091190 /nfs/dbraw/zinc/09/11/90/636091190.db2.gz YNFRCCLSESUXDE-PVAVHDDUSA-N 1 3 322.497 2.175 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CC2)c1 ZINC001028334316 636135404 /nfs/dbraw/zinc/13/54/04/636135404.db2.gz VUNXNSOXHJAHRQ-SFHVURJKSA-N 1 3 315.461 2.352 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CCC[N@H+]2CC2CC2)c1 ZINC001028334316 636135406 /nfs/dbraw/zinc/13/54/06/636135406.db2.gz VUNXNSOXHJAHRQ-SFHVURJKSA-N 1 3 315.461 2.352 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)N(C)C)cc1 ZINC000236959427 636151298 /nfs/dbraw/zinc/15/12/98/636151298.db2.gz PCXXZLJCECJMTA-KZNAEPCWSA-N 1 3 317.477 2.485 20 0 DEADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cccnc3)C2)[C@@H]1C(C)C ZINC000922392607 636154559 /nfs/dbraw/zinc/15/45/59/636154559.db2.gz MQEIRSFFIKNFAP-BDXSIMOUSA-N 1 3 303.450 2.041 20 0 DEADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cccnc3)C2)[C@@H]1C(C)C ZINC000922392607 636154561 /nfs/dbraw/zinc/15/45/61/636154561.db2.gz MQEIRSFFIKNFAP-BDXSIMOUSA-N 1 3 303.450 2.041 20 0 DEADHO CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@]2(C)C1 ZINC000982623615 636316106 /nfs/dbraw/zinc/31/61/06/636316106.db2.gz IZNUEZIJLFZKNV-YTQUADARSA-N 1 3 321.509 2.440 20 0 DEADHO CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@]2(C)C1 ZINC000982623615 636316107 /nfs/dbraw/zinc/31/61/07/636316107.db2.gz IZNUEZIJLFZKNV-YTQUADARSA-N 1 3 321.509 2.440 20 0 DEADHO CCO[C@@H](C[NH2+]C1CCN(Cc2ccccc2)CC1)CN(C)C ZINC000922761219 636374532 /nfs/dbraw/zinc/37/45/32/636374532.db2.gz PTSMISGYRHGVKU-IBGZPJMESA-N 1 3 319.493 2.207 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CC2)CC1 ZINC001004371169 636398699 /nfs/dbraw/zinc/39/86/99/636398699.db2.gz JZPPFVVWMCCMHW-ROUUACIJSA-N 1 3 319.493 2.194 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CC2)CC1 ZINC001004371169 636398705 /nfs/dbraw/zinc/39/87/05/636398705.db2.gz JZPPFVVWMCCMHW-ROUUACIJSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623783 636476356 /nfs/dbraw/zinc/47/63/56/636476356.db2.gz QUQDVYWCOJQCCQ-KSZLIROESA-N 1 3 321.509 2.153 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623783 636476358 /nfs/dbraw/zinc/47/63/58/636476358.db2.gz QUQDVYWCOJQCCQ-KSZLIROESA-N 1 3 321.509 2.153 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004549199 636484611 /nfs/dbraw/zinc/48/46/11/636484611.db2.gz VETCKMNDVOGYFS-DOTOQJQBSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004549199 636484614 /nfs/dbraw/zinc/48/46/14/636484614.db2.gz VETCKMNDVOGYFS-DOTOQJQBSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004615944 636501681 /nfs/dbraw/zinc/50/16/81/636501681.db2.gz JXYPLEGRWGCUHZ-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004615944 636501688 /nfs/dbraw/zinc/50/16/88/636501688.db2.gz JXYPLEGRWGCUHZ-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO COc1ccc2nccc(N3C[C@H](C)[N@H+](CCO)C[C@@H]3C)c2c1 ZINC000894232491 636512039 /nfs/dbraw/zinc/51/20/39/636512039.db2.gz DITHCZAOHCZOJH-KBPBESRZSA-N 1 3 315.417 2.135 20 0 DEADHO COc1ccc2nccc(N3C[C@H](C)[N@@H+](CCO)C[C@@H]3C)c2c1 ZINC000894232491 636512043 /nfs/dbraw/zinc/51/20/43/636512043.db2.gz DITHCZAOHCZOJH-KBPBESRZSA-N 1 3 315.417 2.135 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CCC3CC3)C[C@H]2CC1)N(C)C ZINC000946642873 636516986 /nfs/dbraw/zinc/51/69/86/636516986.db2.gz SRVWGRNJXHMJCE-FGTMMUONSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CCC3CC3)C[C@H]2CC1)N(C)C ZINC000946642873 636516992 /nfs/dbraw/zinc/51/69/92/636516992.db2.gz SRVWGRNJXHMJCE-FGTMMUONSA-N 1 3 321.509 2.297 20 0 DEADHO CN(C(=O)[C@H]1CCCN1C)C1CC[NH+](CC2CCCC2)CC1 ZINC001005182709 636684848 /nfs/dbraw/zinc/68/48/48/636684848.db2.gz GJCBHPWSMSWVFM-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1cn2c(n1)CCCC2 ZINC000925021937 636883018 /nfs/dbraw/zinc/88/30/18/636883018.db2.gz CHTOAJCAAIQMCQ-HZPDHXFCSA-N 1 3 320.481 2.107 20 0 DEADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1cn2c(n1)CCCC2 ZINC000925021937 636883025 /nfs/dbraw/zinc/88/30/25/636883025.db2.gz CHTOAJCAAIQMCQ-HZPDHXFCSA-N 1 3 320.481 2.107 20 0 DEADHO C[C@H]([NH2+]CC1CCC1)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001029065265 637024384 /nfs/dbraw/zinc/02/43/84/637024384.db2.gz FFZOSJRSADRMNC-YOEHRIQHSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@](C[NH3+])(NC[C@H](O)Cc1ccccc1C(F)(F)F)C1CC1 ZINC000923296459 637098189 /nfs/dbraw/zinc/09/81/89/637098189.db2.gz SFKWVPYFNJYJFB-HIFRSBDPSA-N 1 3 316.367 2.326 20 0 DEADHO c1ccc([C@H]2CN(C[C@H]3CC4(C[NH2+]C4)CO3)CCS2)cc1 ZINC000923316501 637107428 /nfs/dbraw/zinc/10/74/28/637107428.db2.gz VFAGLLQSCUAIRU-HZPDHXFCSA-N 1 3 304.459 2.155 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000923333032 637120739 /nfs/dbraw/zinc/12/07/39/637120739.db2.gz STZRABRJODBSHT-NJZAAPMLSA-N 1 3 316.367 2.278 20 0 DEADHO C[C@@H]1CN(C[C@H](O)COc2cccc3ccccc32)C[C@@H]1C[NH3+] ZINC000923412400 637166500 /nfs/dbraw/zinc/16/65/00/637166500.db2.gz VKLHATOTENTNDX-PVAVHDDUSA-N 1 3 314.429 2.106 20 0 DEADHO CN(C(=O)CN1CC[C@@H](CC[NH3+])C1)[C@H]1CCCc2ccccc21 ZINC000923490935 637209721 /nfs/dbraw/zinc/20/97/21/637209721.db2.gz YNZGFNGBTRNHQC-QAPCUYQASA-N 1 3 315.461 2.193 20 0 DEADHO C[C@H](NC(=O)CN1CC[C@H](C[NH3+])[C@H](C)C1)c1ccc(Cl)cc1 ZINC000923503145 637213836 /nfs/dbraw/zinc/21/38/36/637213836.db2.gz HCMNPDBAVYSOQG-VNHYZAJKSA-N 1 3 323.868 2.434 20 0 DEADHO C[C@@H]1CN(CC(=O)N(Cc2ccccc2)C2CC2)CC[C@H]1C[NH3+] ZINC000923500409 637217037 /nfs/dbraw/zinc/21/70/37/637217037.db2.gz PZRRFSQIVJMCFB-WBVHZDCISA-N 1 3 315.461 2.094 20 0 DEADHO CC1CCC(N(C(=O)CN2CC[C@H](C[NH3+])[C@@H](C)C2)C2CC2)CC1 ZINC000923500926 637217718 /nfs/dbraw/zinc/21/77/18/637217718.db2.gz RZJPIBBMBXPQCK-VUROTCPHSA-N 1 3 321.509 2.473 20 0 DEADHO CC1CCN(C(=O)CN2CCC([C@@H]3CCC[NH2+]CC3)CC2)CC1 ZINC000923504019 637218340 /nfs/dbraw/zinc/21/83/40/637218340.db2.gz SGLMLQJIQQXKER-QGZVFWFLSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923501586 637219029 /nfs/dbraw/zinc/21/90/29/637219029.db2.gz TZFWBTVXPWFWQX-FMKPAKJESA-N 1 3 321.440 2.262 20 0 DEADHO C[C@@H]([NH2+]CC1CC1)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001029143281 637275949 /nfs/dbraw/zinc/27/59/49/637275949.db2.gz GHLYEHOXCGYVGY-OAHLLOKOSA-N 1 3 321.509 2.345 20 0 DEADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)NCCCCC[NH+]1CCCC1 ZINC000895049829 637417982 /nfs/dbraw/zinc/41/79/82/637417982.db2.gz GEADFDRVROCNMD-SJORKVTESA-N 1 3 322.497 2.131 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(C)C ZINC001029375166 637679876 /nfs/dbraw/zinc/67/98/76/637679876.db2.gz GHEOIRZDCLGQMZ-BBWFWOEESA-N 1 3 307.482 2.190 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(C)C ZINC001029375166 637679878 /nfs/dbraw/zinc/67/98/78/637679878.db2.gz GHEOIRZDCLGQMZ-BBWFWOEESA-N 1 3 307.482 2.190 20 0 DEADHO CC1(C)OC[C@H](C[NH2+]CC2CCN(Cc3ccncc3)CC2)O1 ZINC000895345954 637950537 /nfs/dbraw/zinc/95/05/37/637950537.db2.gz ASHNAEDROLLGCK-KRWDZBQOSA-N 1 3 319.449 2.035 20 0 DEADHO COCCOC[C@H](C)[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000895694056 638147549 /nfs/dbraw/zinc/14/75/49/638147549.db2.gz QNNQALOZVFFXMF-JENIJYKNSA-N 1 3 320.477 2.396 20 0 DEADHO C[C@@H]1C[C@H](CN2CCOC[C@H]2C[C@H](O)c2ccccc2)CC[NH2+]1 ZINC000841009695 650405432 /nfs/dbraw/zinc/40/54/32/650405432.db2.gz GXWCBAWIOZUSII-RWQQGDIJSA-N 1 3 318.461 2.199 20 0 DEADHO [NH3+]CCc1ccc(CNCc2ccc(C(=O)NC3CC3)cc2)cc1 ZINC000841032778 650409637 /nfs/dbraw/zinc/40/96/37/650409637.db2.gz XRXJBXQHPLJBPY-UHFFFAOYSA-N 1 3 323.440 2.370 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2)C1 ZINC001029673133 639410863 /nfs/dbraw/zinc/41/08/63/639410863.db2.gz WEGOOHZVDWDZKS-ZWKOTPCHSA-N 1 3 315.461 2.061 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC001029673133 639410868 /nfs/dbraw/zinc/41/08/68/639410868.db2.gz WEGOOHZVDWDZKS-ZWKOTPCHSA-N 1 3 315.461 2.061 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CCC2)C1)N(C)C ZINC001029831600 639528069 /nfs/dbraw/zinc/52/80/69/639528069.db2.gz ZLGPBJJYOAZOLW-DLBZAZTESA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCC2)C1)N(C)C ZINC001029831600 639528072 /nfs/dbraw/zinc/52/80/72/639528072.db2.gz ZLGPBJJYOAZOLW-DLBZAZTESA-N 1 3 309.498 2.153 20 0 DEADHO C[N@H+](CC1CCC1)C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001029840522 639535003 /nfs/dbraw/zinc/53/50/03/639535003.db2.gz BVSWBONGWLQESM-KRWDZBQOSA-N 1 3 321.509 2.299 20 0 DEADHO C[N@@H+](CC1CCC1)C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001029840522 639535009 /nfs/dbraw/zinc/53/50/09/639535009.db2.gz BVSWBONGWLQESM-KRWDZBQOSA-N 1 3 321.509 2.299 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CCC2)C1 ZINC001029910614 639767131 /nfs/dbraw/zinc/76/71/31/639767131.db2.gz SNLKIBAJMDESCW-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCC2)C1 ZINC001029910614 639767138 /nfs/dbraw/zinc/76/71/38/639767138.db2.gz SNLKIBAJMDESCW-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@H+](C)CC2CCCC2)CC1 ZINC001029944047 639920685 /nfs/dbraw/zinc/92/06/85/639920685.db2.gz CMTNLCGNEDRBKS-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)CC2CCCC2)CC1 ZINC001029944047 639920691 /nfs/dbraw/zinc/92/06/91/639920691.db2.gz CMTNLCGNEDRBKS-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)(C)OC(=O)NC1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000897423897 640093561 /nfs/dbraw/zinc/09/35/61/640093561.db2.gz SFJUXENHTWPSIR-KGLIPLIRSA-N 1 3 309.454 2.260 20 0 DEADHO CC(C)(C)OC(=O)NC1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000897423897 640093565 /nfs/dbraw/zinc/09/35/65/640093565.db2.gz SFJUXENHTWPSIR-KGLIPLIRSA-N 1 3 309.454 2.260 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cc(Cl)n1 ZINC000841848717 650578642 /nfs/dbraw/zinc/57/86/42/650578642.db2.gz QDPODFBTKINFCL-ZLKJLUDKSA-N 1 3 324.856 2.019 20 0 DEADHO Cc1ccc(CNCc2ccnc(N3CC[NH+](C)CC3)c2)o1 ZINC000078458969 640637466 /nfs/dbraw/zinc/63/74/66/640637466.db2.gz JGTYKZHPUWDYPL-UHFFFAOYSA-N 1 3 300.406 2.025 20 0 DEADHO Cc1nonc1[C@H](C)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000925301303 640747097 /nfs/dbraw/zinc/74/70/97/640747097.db2.gz SCOVDPXXDYWBLP-LBPRGKRZSA-N 1 3 301.394 2.340 20 0 DEADHO CCc1noc(C)c1[C@H](C)NCCC[N@@H+]1CCCN(C)CC1 ZINC000769874591 641304467 /nfs/dbraw/zinc/30/44/67/641304467.db2.gz PPOWLDBPNDZSTH-AWEZNQCLSA-N 1 3 308.470 2.224 20 0 DEADHO CCc1noc(C)c1[C@H](C)NCCC[N@H+]1CCCN(C)CC1 ZINC000769874591 641304472 /nfs/dbraw/zinc/30/44/72/641304472.db2.gz PPOWLDBPNDZSTH-AWEZNQCLSA-N 1 3 308.470 2.224 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]CC2CCCCC2)CC1 ZINC000990277482 641429507 /nfs/dbraw/zinc/42/95/07/641429507.db2.gz OQPFXSBBOPICDY-QGZVFWFLSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)C1 ZINC000924751763 641974652 /nfs/dbraw/zinc/97/46/52/641974652.db2.gz LKWPAPDLTBKLCP-BPQIPLTHSA-N 1 3 304.482 2.453 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CCN1c1cc[nH+]cc1 ZINC000899205004 641990498 /nfs/dbraw/zinc/99/04/98/641990498.db2.gz IYKYZRXTNRYLHX-HNNXBMFYSA-N 1 3 318.465 2.097 20 0 DEADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)CN(C)CC(C)(C)C ZINC000899813025 642175561 /nfs/dbraw/zinc/17/55/61/642175561.db2.gz SPVZCIWGBMHXQQ-HNNXBMFYSA-N 1 3 318.465 2.097 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CC[C@H]3CC[C@@]32C[NH3+])c1 ZINC000900486890 642384901 /nfs/dbraw/zinc/38/49/01/642384901.db2.gz UCEOJBSYJVTXSX-RHSMWYFYSA-N 1 3 302.422 2.093 20 0 DEADHO Cc1cc(N2CCC[C@H](N[C@@H]3CC[NH2+]CC(C)(C)C3)C2)n(C)n1 ZINC000902377161 643015242 /nfs/dbraw/zinc/01/52/42/643015242.db2.gz RQGUNXDLZPECHW-CVEARBPZSA-N 1 3 319.497 2.065 20 0 DEADHO c1c(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)nc2n1CCS2 ZINC000903152553 643269430 /nfs/dbraw/zinc/26/94/30/643269430.db2.gz OXRUTACNLZIBLI-VHRNVKJDSA-N 1 3 318.490 2.279 20 0 DEADHO c1c(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)nc2n1CCS2 ZINC000903152553 643269433 /nfs/dbraw/zinc/26/94/33/643269433.db2.gz OXRUTACNLZIBLI-VHRNVKJDSA-N 1 3 318.490 2.279 20 0 DEADHO CCN(CC(=O)Nc1ccccc1OC)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903427101 643346976 /nfs/dbraw/zinc/34/69/76/643346976.db2.gz SKNMFQOCVYOOCJ-KGLIPLIRSA-N 1 3 305.422 2.083 20 0 DEADHO CC(C)[C@@H](C)NC(=O)C1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903725669 643441076 /nfs/dbraw/zinc/44/10/76/643441076.db2.gz FKDLWGAYKHSBBX-CVEARBPZSA-N 1 3 309.498 2.249 20 0 DEADHO CC(C)N(Cc1ccccn1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903735452 643448862 /nfs/dbraw/zinc/44/88/62/643448862.db2.gz AGEQBMFRHCTTGP-KRWDZBQOSA-N 1 3 303.450 2.451 20 0 DEADHO CCCCNC(=O)[C@H](C)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794567 643458590 /nfs/dbraw/zinc/45/85/90/643458590.db2.gz ZYPKNUFRWUHDMG-INIZCTEOSA-N 1 3 317.477 2.284 20 0 DEADHO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCC(C(C)(C)C[NH3+])CC2)C1 ZINC000903788686 643463465 /nfs/dbraw/zinc/46/34/65/643463465.db2.gz DTLBJSVZRCSYTC-HUUCEWRRSA-N 1 3 309.498 2.188 20 0 DEADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N([C@H]1CCN(c3ccc(Cl)cc3)C1=O)C2 ZINC000903843432 643481571 /nfs/dbraw/zinc/48/15/71/643481571.db2.gz LCQXJCNGRHCHEC-MZGVZZPPSA-N 1 3 319.836 2.257 20 0 DEADHO C[C@@H](N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1)C(F)(F)F ZINC000903899770 643501666 /nfs/dbraw/zinc/50/16/66/643501666.db2.gz UQTXOTMOQDDRKL-RLAWYHOSSA-N 1 3 305.388 2.085 20 0 DEADHO O=C1NCCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1CC1CCCCC1 ZINC000903929247 643512109 /nfs/dbraw/zinc/51/21/09/643512109.db2.gz COXDFJBVGTXIIG-FBVQUNGASA-N 1 3 319.493 2.288 20 0 DEADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCCC[C@@H]1C1CCC1 ZINC000903931445 643513300 /nfs/dbraw/zinc/51/33/00/643513300.db2.gz DYJCZKUWGCWTAF-NVXWUHKLSA-N 1 3 303.454 2.357 20 0 DEADHO CC(C)(C)[C@@H]1CCCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903918083 643517776 /nfs/dbraw/zinc/51/77/76/643517776.db2.gz ROIXXBUZFSANEL-HUUCEWRRSA-N 1 3 305.470 2.461 20 0 DEADHO CC(=O)NCCN(Cc1ccsc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903917069 643517895 /nfs/dbraw/zinc/51/78/95/643517895.db2.gz KIYYROAEYLQGKS-ALOPSCKCSA-N 1 3 321.490 2.217 20 0 DEADHO FC1(F)CCNC[C@@H]1C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000903957869 643519399 /nfs/dbraw/zinc/51/93/99/643519399.db2.gz TZHOPIASIQDCIH-MRXNPFEDSA-N 1 3 323.431 2.485 20 0 DEADHO FC1(F)CCNC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000903955776 643529397 /nfs/dbraw/zinc/52/93/97/643529397.db2.gz YSVGJHCKDBBXLT-LLVKDONJSA-N 1 3 312.389 2.473 20 0 DEADHO Cc1c(C[C@H](C[NH3+])CN2C[C@@H]3C[C@]3(c3ccccc3)C2)cnn1C ZINC000903978877 643533834 /nfs/dbraw/zinc/53/38/34/643533834.db2.gz OAJUBNDBPPKXBB-LSTHTHJFSA-N 1 3 324.472 2.119 20 0 DEADHO Cc1ccc(NC(=O)C[C@H](C)NC[C@@H]2C[NH2+]C[C@H]2C)c(C)c1 ZINC000903968369 643537741 /nfs/dbraw/zinc/53/77/41/643537741.db2.gz UKBAMDKJKLOGQV-PMPSAXMXSA-N 1 3 303.450 2.466 20 0 DEADHO [NH3+]CCCOC1CCN(Cc2ccc3c(c2)CCCO3)CC1 ZINC000904302410 643630456 /nfs/dbraw/zinc/63/04/56/643630456.db2.gz VNSWCJPZHVJUOP-UHFFFAOYSA-N 1 3 304.434 2.341 20 0 DEADHO COC(=O)c1cccc2c1OCCN(C[C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC000904389514 643651528 /nfs/dbraw/zinc/65/15/28/643651528.db2.gz LTFOUEGXJOMLAQ-ZIAGYGMSSA-N 1 3 318.417 2.056 20 0 DEADHO Cc1cc(CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)cnc1Cl ZINC000904392316 643652418 /nfs/dbraw/zinc/65/24/18/643652418.db2.gz PJTOZEOULADEFE-CQSZACIVSA-N 1 3 309.841 2.373 20 0 DEADHO COc1cccc(CN2CC[C@@H](CC[NH3+])C2)c1OC(F)F ZINC000904409821 643661322 /nfs/dbraw/zinc/66/13/22/643661322.db2.gz JEWCJZRIISHGTG-LLVKDONJSA-N 1 3 300.349 2.467 20 0 DEADHO O[C@H](CC[C@H](O)c1ccccc1)CN[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000905045628 643769245 /nfs/dbraw/zinc/76/92/45/643769245.db2.gz KXSSLGQTORSQLF-HCXYKTFWSA-N 1 3 318.461 2.078 20 0 DEADHO O[C@H](CC[C@H](O)c1ccccc1)CN[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000905045628 643769249 /nfs/dbraw/zinc/76/92/49/643769249.db2.gz KXSSLGQTORSQLF-HCXYKTFWSA-N 1 3 318.461 2.078 20 0 DEADHO CC(C)[NH+]1CCC(NC[C@@H](O)CC[C@@H](O)c2ccccc2)CC1 ZINC000905028937 643775711 /nfs/dbraw/zinc/77/57/11/643775711.db2.gz UYBFWQPDLJJIRH-RBUKOAKNSA-N 1 3 320.477 2.324 20 0 DEADHO O[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)CC1(O)CCCCC1 ZINC000905156856 643801459 /nfs/dbraw/zinc/80/14/59/643801459.db2.gz VUMRGNLDXJIWAD-SFHVURJKSA-N 1 3 324.509 2.429 20 0 DEADHO C[C@H](CCNC[C@H](O)C1(O)CCCC1)[N@H+](C)Cc1ccccc1 ZINC000905144170 643810824 /nfs/dbraw/zinc/81/08/24/643810824.db2.gz FHNGZIHLPWGKGR-AEFFLSMTSA-N 1 3 320.477 2.153 20 0 DEADHO C[C@H](CCNC[C@H](O)C1(O)CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000905144170 643810826 /nfs/dbraw/zinc/81/08/26/643810826.db2.gz FHNGZIHLPWGKGR-AEFFLSMTSA-N 1 3 320.477 2.153 20 0 DEADHO C[NH+](C)CC1(CNC[C@H](O)C[C@@H](O)c2ccccc2)CCCC1 ZINC000905215147 643833721 /nfs/dbraw/zinc/83/37/21/643833721.db2.gz YEPCVTGQDYBKSG-QZTJIDSGSA-N 1 3 320.477 2.183 20 0 DEADHO C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc[nH]c(=O)c1 ZINC000791135501 643932466 /nfs/dbraw/zinc/93/24/66/643932466.db2.gz JOHBABZTNHXTIC-XKQJLSEDSA-N 1 3 319.449 2.206 20 0 DEADHO CCCCCCNC(=O)[C@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000843060711 650881124 /nfs/dbraw/zinc/88/11/24/650881124.db2.gz MBLMZAXJPDBLLD-SJORKVTESA-N 1 3 309.498 2.395 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000906959526 644400501 /nfs/dbraw/zinc/40/05/01/644400501.db2.gz DJOOOWRJFCLGRD-INIZCTEOSA-N 1 3 321.465 2.292 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000906959526 644400502 /nfs/dbraw/zinc/40/05/02/644400502.db2.gz DJOOOWRJFCLGRD-INIZCTEOSA-N 1 3 321.465 2.292 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000906959527 644400593 /nfs/dbraw/zinc/40/05/93/644400593.db2.gz DJOOOWRJFCLGRD-MRXNPFEDSA-N 1 3 321.465 2.292 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000906959527 644400597 /nfs/dbraw/zinc/40/05/97/644400597.db2.gz DJOOOWRJFCLGRD-MRXNPFEDSA-N 1 3 321.465 2.292 20 0 DEADHO C[NH2+]CC1CCN(Cc2cc(=O)oc3cc(OC)ccc23)CC1 ZINC000843351139 650955018 /nfs/dbraw/zinc/95/50/18/650955018.db2.gz GCRVOWJFEIDSSB-UHFFFAOYSA-N 1 3 316.401 2.233 20 0 DEADHO COc1ccc2c(CN3CCC([C@@H](C)[NH3+])CC3)cc(=O)oc2c1 ZINC000843348547 650954231 /nfs/dbraw/zinc/95/42/31/650954231.db2.gz JQVDZCJJPUNQJN-GFCCVEGCSA-N 1 3 316.401 2.361 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(C3CC3)C[C@@H](C)C2)C1 ZINC000908503349 644891426 /nfs/dbraw/zinc/89/14/26/644891426.db2.gz IKFNKKKBFWOZEJ-CVEARBPZSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCN(C3CC3)C[C@@H](C)C2)C1 ZINC000908503349 644891430 /nfs/dbraw/zinc/89/14/30/644891430.db2.gz IKFNKKKBFWOZEJ-CVEARBPZSA-N 1 3 307.482 2.051 20 0 DEADHO CC[NH+]1CCC(CNCc2cnc(C3OCCO3)s2)CC1 ZINC000809616518 646248386 /nfs/dbraw/zinc/24/83/86/646248386.db2.gz QDUPLFSBRXMSDT-UHFFFAOYSA-N 1 3 311.451 2.010 20 0 DEADHO C[N@H+](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CCCC1 ZINC000810352711 646355154 /nfs/dbraw/zinc/35/51/54/646355154.db2.gz LQOVZCFSYGBINZ-QGZVFWFLSA-N 1 3 313.461 2.190 20 0 DEADHO C[N@@H+](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CCCC1 ZINC000810352711 646355158 /nfs/dbraw/zinc/35/51/58/646355158.db2.gz LQOVZCFSYGBINZ-QGZVFWFLSA-N 1 3 313.461 2.190 20 0 DEADHO Fc1ccc(CCNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(Cl)c1 ZINC000811478373 646534537 /nfs/dbraw/zinc/53/45/37/646534537.db2.gz IMFJAWZGGAQYPP-CABCVRRESA-N 1 3 312.816 2.474 20 0 DEADHO Fc1ccc(CCNC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c(Cl)c1 ZINC000811478373 646534543 /nfs/dbraw/zinc/53/45/43/646534543.db2.gz IMFJAWZGGAQYPP-CABCVRRESA-N 1 3 312.816 2.474 20 0 DEADHO CC[NH+](CC)CCCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000813451113 646771467 /nfs/dbraw/zinc/77/14/67/646771467.db2.gz IPXLHVXLVOAHEQ-QGZVFWFLSA-N 1 3 315.477 2.437 20 0 DEADHO CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC000992685871 647185649 /nfs/dbraw/zinc/18/56/49/647185649.db2.gz GUFHTFGQVVICIV-BRWVUGGUSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)N1CCCC1 ZINC001015500761 647366815 /nfs/dbraw/zinc/36/68/15/647366815.db2.gz XEHQBQLUIJXQQE-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N1CCCC1 ZINC001015500761 647366819 /nfs/dbraw/zinc/36/68/19/647366819.db2.gz XEHQBQLUIJXQQE-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H](O)c1ccccc1C(F)(F)F ZINC000817889971 647371464 /nfs/dbraw/zinc/37/14/64/647371464.db2.gz RDKPKDVKGFNTCI-BPNCWPANSA-N 1 3 302.340 2.456 20 0 DEADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc(N2CCCCC2=O)cc1 ZINC000817894137 647373507 /nfs/dbraw/zinc/37/35/07/647373507.db2.gz KAYRLAXHUJQKAX-NVXWUHKLSA-N 1 3 301.434 2.421 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000817892954 647373588 /nfs/dbraw/zinc/37/35/88/647373588.db2.gz AGFNMXCDYKWZDM-VIBAHUMZSA-N 1 3 320.477 2.359 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](O)c1ccc(Cl)c(F)c1 ZINC000817917087 647381544 /nfs/dbraw/zinc/38/15/44/647381544.db2.gz NEQUYFOULBBWNS-ONERCXAPSA-N 1 3 300.805 2.490 20 0 DEADHO COCCC[NH+]1CCC(NC[C@H](O)c2ccc(C)cc2)CC1 ZINC000819007178 647563215 /nfs/dbraw/zinc/56/32/15/647563215.db2.gz TVERCBHYFSKPLZ-SFHVURJKSA-N 1 3 306.450 2.119 20 0 DEADHO C[C@@H]1[C@H](NC(=O)C23CCCN2CCC3)CCC[N@@H+]1CCC1CC1 ZINC000993534386 647692517 /nfs/dbraw/zinc/69/25/17/647692517.db2.gz XUFFBQQTTNFUHP-NVXWUHKLSA-N 1 3 319.493 2.384 20 0 DEADHO C[C@@H]1[C@H](NC(=O)C23CCCN2CCC3)CCC[N@H+]1CCC1CC1 ZINC000993534386 647692520 /nfs/dbraw/zinc/69/25/20/647692520.db2.gz XUFFBQQTTNFUHP-NVXWUHKLSA-N 1 3 319.493 2.384 20 0 DEADHO CC(C)=CCN1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993757422 647740571 /nfs/dbraw/zinc/74/05/71/647740571.db2.gz HDQAFIZFKKBDJQ-WBVHZDCISA-N 1 3 307.482 2.264 20 0 DEADHO C[NH+](C)CCOc1ccccc1-c1noc([C@@H]2C[C@H]3C[C@H]3N2)n1 ZINC000822808831 648293150 /nfs/dbraw/zinc/29/31/50/648293150.db2.gz ZRJRSXLWKLWFHM-BNOWGMLFSA-N 1 3 314.389 2.100 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@H]2C[C@H]2C[C@H]1C ZINC000824819739 648657149 /nfs/dbraw/zinc/65/71/49/648657149.db2.gz QCTOLAIAGQDANZ-JJTUDDRGSA-N 1 3 309.498 2.057 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@H]2C[C@H]2C[C@H]1C ZINC000824819739 648657152 /nfs/dbraw/zinc/65/71/52/648657152.db2.gz QCTOLAIAGQDANZ-JJTUDDRGSA-N 1 3 309.498 2.057 20 0 DEADHO CC(C)C[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC000939801925 648727315 /nfs/dbraw/zinc/72/73/15/648727315.db2.gz PPBZRRBAWLRLNH-CRAIPNDOSA-N 1 3 317.477 2.454 20 0 DEADHO C[NH+]1CCC(NC[C@H](O)c2ccccc2Br)CC1 ZINC000825343294 648746253 /nfs/dbraw/zinc/74/62/53/648746253.db2.gz KZCXERIUEHLCJS-AWEZNQCLSA-N 1 3 313.239 2.166 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC2)CC1(C)C ZINC000940788963 648942072 /nfs/dbraw/zinc/94/20/72/648942072.db2.gz GHGKKRDOQIIQJU-IAGOWNOFSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC1(C)C ZINC000940788963 648942074 /nfs/dbraw/zinc/94/20/74/648942074.db2.gz GHGKKRDOQIIQJU-IAGOWNOFSA-N 1 3 321.509 2.488 20 0 DEADHO CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)C(C)(C)C1 ZINC000941076253 648994479 /nfs/dbraw/zinc/99/44/79/648994479.db2.gz UNTUHMWFDJSVLG-HOTGVXAUSA-N 1 3 309.498 2.486 20 0 DEADHO CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)C(C)(C)C1 ZINC000941076253 648994482 /nfs/dbraw/zinc/99/44/82/648994482.db2.gz UNTUHMWFDJSVLG-HOTGVXAUSA-N 1 3 309.498 2.486 20 0 DEADHO NC(C(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(F)(F)F ZINC000827863674 649097031 /nfs/dbraw/zinc/09/70/31/649097031.db2.gz NXRVKALQDGHVMJ-CYBMUJFWSA-N 1 3 321.387 2.037 20 0 DEADHO C[C@@H]1C[N@H+](CCCF)CC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942556071 649245888 /nfs/dbraw/zinc/24/58/88/649245888.db2.gz UWNJLMDEUTUKIT-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H]1C[N@@H+](CCCF)CC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942556071 649245890 /nfs/dbraw/zinc/24/58/90/649245890.db2.gz UWNJLMDEUTUKIT-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO C[S@@](=O)CC[N@@H+]1CCC2(C1)CCN(Cc1ccccc1)CC2 ZINC000830012480 649383642 /nfs/dbraw/zinc/38/36/42/649383642.db2.gz AGOLDPLKDOZIBB-JOCHJYFZSA-N 1 3 320.502 2.353 20 0 DEADHO C[S@@](=O)CC[N@H+]1CCC2(C1)CCN(Cc1ccccc1)CC2 ZINC000830012480 649383646 /nfs/dbraw/zinc/38/36/46/649383646.db2.gz AGOLDPLKDOZIBB-JOCHJYFZSA-N 1 3 320.502 2.353 20 0 DEADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000831411782 649588692 /nfs/dbraw/zinc/58/86/92/649588692.db2.gz IPZOIDNTOCSCKN-MRXNPFEDSA-N 1 3 323.868 2.358 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000831729087 649634594 /nfs/dbraw/zinc/63/45/94/649634594.db2.gz XVRSQHHUEDONSM-SJORKVTESA-N 1 3 309.498 2.347 20 0 DEADHO [NH3+][C@@H](CC(=O)N[C@H](CN1CCCCC1)c1ccccc1)C1CC1 ZINC000831826426 649647637 /nfs/dbraw/zinc/64/76/37/649647637.db2.gz BOLYEUFTHYWPSV-ZWKOTPCHSA-N 1 3 315.461 2.457 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC(C)([NH+]2CCCCC2)CC1)N(C)C ZINC000832234254 649688287 /nfs/dbraw/zinc/68/82/87/649688287.db2.gz KJHHYSGYVRSCCV-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO Clc1ccc(CN2CCN(CC[C@H]3CCC[NH2+]C3)CC2)cn1 ZINC000844221574 651095832 /nfs/dbraw/zinc/09/58/32/651095832.db2.gz GPFOAZYZRPJJKQ-OAHLLOKOSA-N 1 3 322.884 2.242 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000847333258 651389769 /nfs/dbraw/zinc/38/97/69/651389769.db2.gz XLHIXXCATIFESU-JKSUJKDBSA-N 1 3 324.513 2.375 20 0 DEADHO C[C@H]1CN(CCCC[NH2+]Cc2cnc(Cl)n2C)C[C@H](C)O1 ZINC000848537704 651468441 /nfs/dbraw/zinc/46/84/41/651468441.db2.gz MAWPBQYDHCMSSP-STQMWFEESA-N 1 3 314.861 2.053 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCOc1cccc(C)c1 ZINC000848983310 651570576 /nfs/dbraw/zinc/57/05/76/651570576.db2.gz OIIWIHRAOYUKFR-INIZCTEOSA-N 1 3 318.465 2.362 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](SC)C(C)(C)C ZINC000849018101 651583863 /nfs/dbraw/zinc/58/38/63/651583863.db2.gz UZIYLYJTDNEGBJ-STQMWFEESA-N 1 3 300.516 2.362 20 0 DEADHO CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@@]2(O)CCN(C)C2)cc1 ZINC000849019222 651584777 /nfs/dbraw/zinc/58/47/77/651584777.db2.gz SQKITDJGKBUYRO-DYVFJYSZSA-N 1 3 304.438 2.203 20 0 DEADHO CN(CCNC(=O)OC(C)(C)C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000849349699 651655774 /nfs/dbraw/zinc/65/57/74/651655774.db2.gz FDSTYCNNOGJNOO-UHFFFAOYSA-N 1 3 319.449 2.289 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C=C(C1CC1)C1CC1 ZINC000855345437 651678853 /nfs/dbraw/zinc/67/88/53/651678853.db2.gz AICXYDBJPGMCCV-AWEZNQCLSA-N 1 3 307.482 2.121 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C=C(C1CC1)C1CC1 ZINC000855345437 651678856 /nfs/dbraw/zinc/67/88/56/651678856.db2.gz AICXYDBJPGMCCV-AWEZNQCLSA-N 1 3 307.482 2.121 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C\c1cccc(F)c1 ZINC000855346231 651679735 /nfs/dbraw/zinc/67/97/35/651679735.db2.gz SHWVOKBSFPGUCP-KVPUOBJLSA-N 1 3 321.440 2.227 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C\c1cccc(F)c1 ZINC000855346231 651679738 /nfs/dbraw/zinc/67/97/38/651679738.db2.gz SHWVOKBSFPGUCP-KVPUOBJLSA-N 1 3 321.440 2.227 20 0 DEADHO C[C@H]1CN(CCCC[NH2+]Cc2cn(C)nc2Cl)C[C@H](C)O1 ZINC000856770627 651978718 /nfs/dbraw/zinc/97/87/18/651978718.db2.gz WXHNZLVCVMUNTP-STQMWFEESA-N 1 3 314.861 2.053 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccnc(F)c2)[C@H](C)C1 ZINC000858139347 652264058 /nfs/dbraw/zinc/26/40/58/652264058.db2.gz RTLDUAMMAUOHJM-ZBFHGGJFSA-N 1 3 309.429 2.447 20 0 DEADHO COC(=O)Cc1ccccc1C[N@@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000852104823 652341133 /nfs/dbraw/zinc/34/11/33/652341133.db2.gz GFVKGZRXBOTGIT-IBGZPJMESA-N 1 3 316.445 2.320 20 0 DEADHO COC(=O)Cc1ccccc1C[N@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000852104823 652341137 /nfs/dbraw/zinc/34/11/37/652341137.db2.gz GFVKGZRXBOTGIT-IBGZPJMESA-N 1 3 316.445 2.320 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)C=C2CC[NH2+]CC2)N(C)C)cc1 ZINC000852855014 652470370 /nfs/dbraw/zinc/47/03/70/652470370.db2.gz TZIWPWJIDCWSBW-GOSISDBHSA-N 1 3 315.461 2.278 20 0 DEADHO O=C(C=C1CC[NH2+]CC1)N1CCN(CC2CCCCC2)CC1 ZINC000852857878 652471034 /nfs/dbraw/zinc/47/10/34/652471034.db2.gz IPHKSSSIGZXSTB-UHFFFAOYSA-N 1 3 305.466 2.021 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000111542074 652595618 /nfs/dbraw/zinc/59/56/18/652595618.db2.gz DQZCMVNSFVXBAY-UHFFFAOYSA-N 1 3 318.465 2.242 20 0 DEADHO CC[C@@H](C(=O)N1CCC([C@@H](C)[NH2+]C/C=C\Cl)CC1)N(C)C ZINC001372993464 1156834280 /nfs/dbraw/zinc/83/42/80/1156834280.db2.gz JAYPWDSFGFPKSK-HYWXAPFVSA-N 1 3 315.889 2.296 20 0 DEADHO CC(C)CCCN1CC[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001375317956 1158477112 /nfs/dbraw/zinc/47/71/12/1158477112.db2.gz KFFDMMXQXLSANX-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CCCN1CC[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001375317956 1158477117 /nfs/dbraw/zinc/47/71/17/1158477117.db2.gz KFFDMMXQXLSANX-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]1CCN(C(=O)C[C@@H]([NH3+])C2CC2)CCN1Cc1ccccc1 ZINC000382684088 685405577 /nfs/dbraw/zinc/40/55/77/685405577.db2.gz DKEQDGZCFDGIJO-MAUKXSAKSA-N 1 3 315.461 2.237 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@H+](CC)C2)C1 ZINC001054141868 693861119 /nfs/dbraw/zinc/86/11/19/693861119.db2.gz QIGJKMIXGKMIJJ-SJLPKXTDSA-N 1 3 307.482 2.195 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CC)C2)C1 ZINC001054141868 693861121 /nfs/dbraw/zinc/86/11/21/693861121.db2.gz QIGJKMIXGKMIJJ-SJLPKXTDSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001054198496 693879931 /nfs/dbraw/zinc/87/99/31/693879931.db2.gz YHQPYJVGSREETJ-SJLPKXTDSA-N 1 3 307.482 2.053 20 0 DEADHO CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001054198496 693879932 /nfs/dbraw/zinc/87/99/32/693879932.db2.gz YHQPYJVGSREETJ-SJLPKXTDSA-N 1 3 307.482 2.053 20 0 DEADHO CCCN1Cc2ccc(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)cc2C1 ZINC001054281613 693913380 /nfs/dbraw/zinc/91/33/80/693913380.db2.gz RUZVASDTSURMOC-RDTXWAMCSA-N 1 3 315.461 2.226 20 0 DEADHO CCCN1Cc2ccc(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)cc2C1 ZINC001054281613 693913383 /nfs/dbraw/zinc/91/33/83/693913383.db2.gz RUZVASDTSURMOC-RDTXWAMCSA-N 1 3 315.461 2.226 20 0 DEADHO C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1[NH2+]CC1CCC1 ZINC001054650565 694014883 /nfs/dbraw/zinc/01/48/83/694014883.db2.gz RQQVZCAFEPRDOR-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO CCOc1cc(F)cc(C[NH2+]CCCN2CCN(CC)CC2)c1 ZINC000865411992 687202368 /nfs/dbraw/zinc/20/23/68/687202368.db2.gz HSSZQFFANBNUFW-UHFFFAOYSA-N 1 3 323.456 2.342 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](C(C)C)CC2 ZINC001016616145 687665887 /nfs/dbraw/zinc/66/58/87/687665887.db2.gz ZTEGPHOPPAEFTD-CVEARBPZSA-N 1 3 307.482 2.238 20 0 DEADHO CC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001016621732 687666525 /nfs/dbraw/zinc/66/65/25/687666525.db2.gz RKAJOHRKSWQRCG-HNNXBMFYSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CC1)CC2 ZINC001016652140 687674946 /nfs/dbraw/zinc/67/49/46/687674946.db2.gz OZBLOQOUPBMNNM-IRXDYDNUSA-N 1 3 319.493 2.242 20 0 DEADHO C[C@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000867997754 687868400 /nfs/dbraw/zinc/86/84/00/687868400.db2.gz JCNOBANOLZKXQM-KBAYOESNSA-N 1 3 315.461 2.155 20 0 DEADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001017640091 687930078 /nfs/dbraw/zinc/93/00/78/687930078.db2.gz RQBKKWGHEQBEKW-BBWFWOEESA-N 1 3 309.498 2.294 20 0 DEADHO CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001018176724 688071081 /nfs/dbraw/zinc/07/10/81/688071081.db2.gz OGLKNRSXZJAOSJ-XWTMOSNGSA-N 1 3 321.509 2.438 20 0 DEADHO Cc1ccc(C)c(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC001018628825 688188798 /nfs/dbraw/zinc/18/87/98/688188798.db2.gz QYQMLLKOSAQGBS-ZWKOTPCHSA-N 1 3 315.461 2.088 20 0 DEADHO CN(CC(=O)N1CC[C@H]([NH2+]CCC2CCCC2)C1)C1CCC1 ZINC001018971790 688264500 /nfs/dbraw/zinc/26/45/00/688264500.db2.gz SZQUCSCPYLFOES-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)c1cccc(F)c1 ZINC001019241556 688305613 /nfs/dbraw/zinc/30/56/13/688305613.db2.gz JFTKOEKGXSKXFK-XOKHGSTOSA-N 1 3 319.424 2.171 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC2CC2)C1 ZINC001019468519 688362910 /nfs/dbraw/zinc/36/29/10/688362910.db2.gz YQQXJVHYRLYYAL-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1C[C@@H]([NH2+]CC2CC(C)C2)C1 ZINC001020143908 688473864 /nfs/dbraw/zinc/47/38/64/688473864.db2.gz JTASNGAXZPTOCK-YOTSKQKMSA-N 1 3 307.482 2.142 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)CC[NH2+]CC2CC2)N(C)C)cc1 ZINC000870853872 688667630 /nfs/dbraw/zinc/66/76/30/688667630.db2.gz GBYBEOZFVUCDLO-GOSISDBHSA-N 1 3 317.477 2.358 20 0 DEADHO COc1ccc(NC(=O)[C@H](C)N(C)CCCCCC[NH3+])cc1 ZINC000872155659 688940577 /nfs/dbraw/zinc/94/05/77/688940577.db2.gz XWEMOQFUWBBOJS-AWEZNQCLSA-N 1 3 307.438 2.473 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCC1C[NH+](CCCC2CCC2)C1 ZINC001031666341 688976763 /nfs/dbraw/zinc/97/67/63/688976763.db2.gz NBZZGXMMQCAVTN-GOSISDBHSA-N 1 3 321.509 2.488 20 0 DEADHO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000872308207 688979010 /nfs/dbraw/zinc/97/90/10/688979010.db2.gz CEWLPOVVGFPZFT-LSDHHAIUSA-N 1 3 303.406 2.015 20 0 DEADHO c1c(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)sc2c1CNCC2 ZINC000873210964 689184272 /nfs/dbraw/zinc/18/42/72/689184272.db2.gz FOMKKZGCSAOGGE-NUEKZKHPSA-N 1 3 304.459 2.441 20 0 DEADHO COc1ccc([C@@H]2CN(C[C@@H]3CC[NH2+][C@@H](C)C3)CCO2)cc1 ZINC000873221209 689186851 /nfs/dbraw/zinc/18/68/51/689186851.db2.gz GXLVCEPPAOGHCV-DAYGRLMNSA-N 1 3 304.434 2.457 20 0 DEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H]1Cc2ccccc2CN1 ZINC000873296664 689204922 /nfs/dbraw/zinc/20/49/22/689204922.db2.gz KYVFMXAODUPFPW-YSSFQJQWSA-N 1 3 309.457 2.249 20 0 DEADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001032725223 689238155 /nfs/dbraw/zinc/23/81/55/689238155.db2.gz PXYXYADSZQEGRT-ROUUACIJSA-N 1 3 319.493 2.050 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC1)[NH+]1CCCC1 ZINC001032804126 689266069 /nfs/dbraw/zinc/26/60/69/689266069.db2.gz XUJKGYIEIVVCOB-OKZBNKHCSA-N 1 3 319.493 2.192 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)N2CCCC2)C1 ZINC001033320271 689460909 /nfs/dbraw/zinc/46/09/09/689460909.db2.gz UDRPOPUMCHEMQX-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)N2CCCC2)C1 ZINC001033320271 689460914 /nfs/dbraw/zinc/46/09/14/689460914.db2.gz UDRPOPUMCHEMQX-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000874833146 689507463 /nfs/dbraw/zinc/50/74/63/689507463.db2.gz JEVJZPQVOKHJBM-JKSUJKDBSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001033588048 689552895 /nfs/dbraw/zinc/55/28/95/689552895.db2.gz JEORJSWIVWVYAG-CQSZACIVSA-N 1 3 306.454 2.266 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001033588048 689552900 /nfs/dbraw/zinc/55/29/00/689552900.db2.gz JEORJSWIVWVYAG-CQSZACIVSA-N 1 3 306.454 2.266 20 0 DEADHO CCN(C(=O)[C@@H]1CCCN1C(C)C)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001033827579 689628868 /nfs/dbraw/zinc/62/88/68/689628868.db2.gz GJQBRCQSKFKFMB-SJORKVTESA-N 1 3 307.482 2.192 20 0 DEADHO CCN(C(=O)[C@@H]1CCCN1C(C)C)[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001033827579 689628869 /nfs/dbraw/zinc/62/88/69/689628869.db2.gz GJQBRCQSKFKFMB-SJORKVTESA-N 1 3 307.482 2.192 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876728558 689918407 /nfs/dbraw/zinc/91/84/07/689918407.db2.gz PGLKMMHAAZIYAH-LEJCZOIISA-N 1 3 317.433 2.251 20 0 DEADHO CC(C)(C)OC(=O)N1CCCC[C@@H](CN2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000876817906 689946463 /nfs/dbraw/zinc/94/64/63/689946463.db2.gz OVFPTXPUTQXQNL-HRCADAONSA-N 1 3 323.481 2.175 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CC2)CC1 ZINC001034797064 689949368 /nfs/dbraw/zinc/94/93/68/689949368.db2.gz VFHYHEKFQPSOTO-ZHZCFWQKSA-N 1 3 307.482 2.286 20 0 DEADHO CN(C)C[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C)c1ccc(Cl)cc1 ZINC000876881554 689962759 /nfs/dbraw/zinc/96/27/59/689962759.db2.gz JRRKMYXMVBNPDJ-QLFBSQMISA-N 1 3 323.868 2.432 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876883443 689963723 /nfs/dbraw/zinc/96/37/23/689963723.db2.gz BWHLTFBJSJRMEO-LZNQSLFOSA-N 1 3 321.490 2.194 20 0 DEADHO Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)cs1 ZINC001034884642 689977689 /nfs/dbraw/zinc/97/76/89/689977689.db2.gz KDUZZPOMIKAQGR-HZPDHXFCSA-N 1 3 321.490 2.231 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccsc2)CCC1 ZINC001034956661 689998881 /nfs/dbraw/zinc/99/88/81/689998881.db2.gz DTIURKJEGYPSLK-OAHLLOKOSA-N 1 3 321.490 2.313 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccsc1)C1CCC1 ZINC001034957578 689999097 /nfs/dbraw/zinc/99/90/97/689999097.db2.gz BSYHKBILFUWBNW-MRXNPFEDSA-N 1 3 321.490 2.313 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccsc1)N(C)C ZINC001034966160 689999614 /nfs/dbraw/zinc/99/96/14/689999614.db2.gz PJYHAAAJMGLWPX-CVEARBPZSA-N 1 3 323.506 2.415 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1)N(C)C ZINC001034971378 690001345 /nfs/dbraw/zinc/00/13/45/690001345.db2.gz LXDHJCBXJILUOI-IAGOWNOFSA-N 1 3 307.482 2.408 20 0 DEADHO CC1CCC(C[NH2+]C[C@H]2CCCN2C(=O)Cc2c[nH]cn2)CC1 ZINC001035062747 690024112 /nfs/dbraw/zinc/02/41/12/690024112.db2.gz KZTPBCMIBXEKQQ-VMBOVVBDSA-N 1 3 318.465 2.359 20 0 DEADHO CC1(C)CC[C@@H](CNC(=O)C[C@@H]2NCc3ccccc32)[NH2+]C1 ZINC000877153469 690031707 /nfs/dbraw/zinc/03/17/07/690031707.db2.gz HPOFIVVIVUOVDC-HOCLYGCPSA-N 1 3 301.434 2.115 20 0 DEADHO CC(C)C[N@@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@@H](C)C1)CC2 ZINC001035227428 690066544 /nfs/dbraw/zinc/06/65/44/690066544.db2.gz RVEWUBDBWGIYBW-QGZVFWFLSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)C[N@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@@H](C)C1)CC2 ZINC001035227428 690066546 /nfs/dbraw/zinc/06/65/46/690066546.db2.gz RVEWUBDBWGIYBW-QGZVFWFLSA-N 1 3 321.509 2.299 20 0 DEADHO CC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)CC1)CC2 ZINC001035239463 690070805 /nfs/dbraw/zinc/07/08/05/690070805.db2.gz SIANHNUOZXZBHY-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO CC[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)CC1)CC2 ZINC001035239463 690070807 /nfs/dbraw/zinc/07/08/07/690070807.db2.gz SIANHNUOZXZBHY-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO COC(=O)c1[nH]c(CN2CCCC3(CC[NH+](C)CC3)C2)cc1C ZINC000877497375 690132095 /nfs/dbraw/zinc/13/20/95/690132095.db2.gz ORXRNGXITFQVNQ-UHFFFAOYSA-N 1 3 319.449 2.418 20 0 DEADHO CC(C)=CCN1CC2(C1)CCN(C(=O)C1CC[NH+](C)CC1)CC2 ZINC001035781844 690174239 /nfs/dbraw/zinc/17/42/39/690174239.db2.gz AOXQUJZOWQVDQF-UHFFFAOYSA-N 1 3 319.493 2.219 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(C[NH+](CC(C)C)C2)CC1 ZINC001035858232 690194609 /nfs/dbraw/zinc/19/46/09/690194609.db2.gz QQPMKUFMTANCKS-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@H]1[NH2+]CCF ZINC001036302617 690315648 /nfs/dbraw/zinc/31/56/48/690315648.db2.gz JSZYKPPSFKOORI-WMLDXEAASA-N 1 3 321.440 2.158 20 0 DEADHO CC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001036306018 690316282 /nfs/dbraw/zinc/31/62/82/690316282.db2.gz VWFMXBFEHLLEND-PBHICJAKSA-N 1 3 303.450 2.208 20 0 DEADHO CC(=O)Oc1ccc(C[N@H+]2C[C@@]3(C)CN(C)C[C@@]3(C)C2)cc1 ZINC000931310612 694364427 /nfs/dbraw/zinc/36/44/27/694364427.db2.gz GEIZUTMJQRYNJU-HDICACEKSA-N 1 3 302.418 2.386 20 0 DEADHO CC(=O)Oc1ccc(C[N@@H+]2C[C@@]3(C)CN(C)C[C@@]3(C)C2)cc1 ZINC000931310612 694364431 /nfs/dbraw/zinc/36/44/31/694364431.db2.gz GEIZUTMJQRYNJU-HDICACEKSA-N 1 3 302.418 2.386 20 0 DEADHO C[C@@H]1[C@H](c2ccccc2)CCN1CC(=O)NC1CC[NH+](C)CC1 ZINC000878176017 690336527 /nfs/dbraw/zinc/33/65/27/690336527.db2.gz AYTCATJSDUIGCU-CRAIPNDOSA-N 1 3 315.461 2.075 20 0 DEADHO C[C@H]([NH2+]CC1CCC1)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001036411375 690344544 /nfs/dbraw/zinc/34/45/44/690344544.db2.gz KDKBWSFYLMTLCW-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO C[NH+]1CCC(NC(=O)CNC(C)(C)c2ccc(Cl)cc2)CC1 ZINC000878233632 690353222 /nfs/dbraw/zinc/35/32/22/690353222.db2.gz FFIMRWWDFPHVNF-UHFFFAOYSA-N 1 3 323.868 2.375 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CCC3CC3)C2)CCC1 ZINC001036736146 690451997 /nfs/dbraw/zinc/45/19/97/690451997.db2.gz VUVCENASIADMEZ-SJORKVTESA-N 1 3 319.493 2.194 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3CCC3CC3)C2)CCC1 ZINC001036736146 690451999 /nfs/dbraw/zinc/45/19/99/690451999.db2.gz VUVCENASIADMEZ-SJORKVTESA-N 1 3 319.493 2.194 20 0 DEADHO O[C@H]1CCN(C2CC[NH+](CC[C@@H]3CCCC3(F)F)CC2)C1 ZINC000878992798 690543669 /nfs/dbraw/zinc/54/36/69/690543669.db2.gz DGHRJNMTSYHRGG-ZFWWWQNUSA-N 1 3 302.409 2.343 20 0 DEADHO CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1ccccc1CN(C)C ZINC001037120352 690573451 /nfs/dbraw/zinc/57/34/51/690573451.db2.gz HXUWWWCRXDVJMH-WMLDXEAASA-N 1 3 303.450 2.256 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC001037243435 690597483 /nfs/dbraw/zinc/59/74/83/690597483.db2.gz AMALMSKWWQPUBL-HOTGVXAUSA-N 1 3 318.465 2.325 20 0 DEADHO CC[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1[NH2+]C(C)C ZINC001037924802 690641409 /nfs/dbraw/zinc/64/14/09/690641409.db2.gz BJODJJSPYDUXRW-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CN1CC[C@@H]2C[N@H+](C[C@H]3CCCN(C(=O)C(C)(C)C)C3)CC[C@@H]21 ZINC000879578594 690678626 /nfs/dbraw/zinc/67/86/26/690678626.db2.gz FOSVUQGJRLFTPI-ZACQAIPSSA-N 1 3 321.509 2.297 20 0 DEADHO CN1CC[C@@H]2C[N@@H+](C[C@H]3CCCN(C(=O)C(C)(C)C)C3)CC[C@@H]21 ZINC000879578594 690678627 /nfs/dbraw/zinc/67/86/27/690678627.db2.gz FOSVUQGJRLFTPI-ZACQAIPSSA-N 1 3 321.509 2.297 20 0 DEADHO Cc1cc(NC(=O)CN(CC(C)C)CC2CC[NH+](C)CC2)no1 ZINC000879702751 690709948 /nfs/dbraw/zinc/70/99/48/690709948.db2.gz XLHNUGZPKHYMKM-UHFFFAOYSA-N 1 3 322.453 2.221 20 0 DEADHO CCC(O)(CC)C(C)(C)[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000879699420 690710002 /nfs/dbraw/zinc/71/00/02/690710002.db2.gz PONRTJGTFOLREE-UHFFFAOYSA-N 1 3 313.530 2.322 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CCCC1 ZINC001038239661 690753327 /nfs/dbraw/zinc/75/33/27/690753327.db2.gz MWARYVRRSGCTFS-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CCCC1 ZINC001038239661 690753328 /nfs/dbraw/zinc/75/33/28/690753328.db2.gz MWARYVRRSGCTFS-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO O=C(NC[C@@H]1CCN1CCCC1CCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001038269774 690764024 /nfs/dbraw/zinc/76/40/24/690764024.db2.gz QDXMEMJYKULHBV-ZWKOTPCHSA-N 1 3 319.493 2.099 20 0 DEADHO C[N@@H+]1CC[C@@H]2CN(C[C@H]3CCCN3C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000931442079 694396350 /nfs/dbraw/zinc/39/63/50/694396350.db2.gz TYUCHCMURZYUQV-OWCLPIDISA-N 1 3 323.481 2.269 20 0 DEADHO C[N@H+]1CC[C@@H]2CN(C[C@H]3CCCN3C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000931442079 694396356 /nfs/dbraw/zinc/39/63/56/694396356.db2.gz TYUCHCMURZYUQV-OWCLPIDISA-N 1 3 323.481 2.269 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CCN2CCC(C)C)C1 ZINC001038625149 690880354 /nfs/dbraw/zinc/88/03/54/690880354.db2.gz RGRQQHXZURQQCP-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CCN2CCC(C)C)C1 ZINC001038625149 690880357 /nfs/dbraw/zinc/88/03/57/690880357.db2.gz RGRQQHXZURQQCP-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO C[NH+]1CCC(NC(=O)CN2CCC[C@@]2(C)c2ccccc2)CC1 ZINC000880371131 690882978 /nfs/dbraw/zinc/88/29/78/690882978.db2.gz ASEXUFNVJDBZHA-IBGZPJMESA-N 1 3 315.461 2.208 20 0 DEADHO C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CCN2CC2CCC2)cc1 ZINC001038814965 690932319 /nfs/dbraw/zinc/93/23/19/690932319.db2.gz AKPPOJKBBZDVQM-GOSISDBHSA-N 1 3 315.461 2.352 20 0 DEADHO CCCCN1CC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001038896081 690959520 /nfs/dbraw/zinc/95/95/20/690959520.db2.gz JOENNRJGLFFLCT-QGZVFWFLSA-N 1 3 307.482 2.099 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCN2CCC2CCCCCC2)C1 ZINC001039028852 690998453 /nfs/dbraw/zinc/99/84/53/690998453.db2.gz RTGAHUMFSQOFOR-ZWKOTPCHSA-N 1 3 321.509 2.489 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCN2CCC2CCCCCC2)C1 ZINC001039028852 690998455 /nfs/dbraw/zinc/99/84/55/690998455.db2.gz RTGAHUMFSQOFOR-ZWKOTPCHSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001039132924 691029755 /nfs/dbraw/zinc/02/97/55/691029755.db2.gz CYURTYRPHXFPDU-ZWKOTPCHSA-N 1 3 321.509 2.296 20 0 DEADHO CC(C)[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001039132924 691029756 /nfs/dbraw/zinc/02/97/56/691029756.db2.gz CYURTYRPHXFPDU-ZWKOTPCHSA-N 1 3 321.509 2.296 20 0 DEADHO CC[N@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001039489367 691117744 /nfs/dbraw/zinc/11/77/44/691117744.db2.gz SMWGPQMSVWZMSZ-OAHLLOKOSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001039489367 691117747 /nfs/dbraw/zinc/11/77/47/691117747.db2.gz SMWGPQMSVWZMSZ-OAHLLOKOSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001039914754 691163354 /nfs/dbraw/zinc/16/33/54/691163354.db2.gz YXXAVWLTTPKFNT-DZJNRPSUSA-N 1 3 319.493 2.050 20 0 DEADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001039914754 691163357 /nfs/dbraw/zinc/16/33/57/691163357.db2.gz YXXAVWLTTPKFNT-DZJNRPSUSA-N 1 3 319.493 2.050 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001040394982 691242323 /nfs/dbraw/zinc/24/23/23/691242323.db2.gz NJZILWADMMBBHD-SJLPKXTDSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001040394982 691242324 /nfs/dbraw/zinc/24/23/24/691242324.db2.gz NJZILWADMMBBHD-SJLPKXTDSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[NH+]1CCC2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001040849376 691292843 /nfs/dbraw/zinc/29/28/43/691292843.db2.gz QSRUEZQGCHJJLG-MRXNPFEDSA-N 1 3 307.482 2.053 20 0 DEADHO CCCC[NH+]1CCC2(CCN(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001040853648 691293678 /nfs/dbraw/zinc/29/36/78/691293678.db2.gz VMXPPPFOSBEZPJ-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO CC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001041286401 691356887 /nfs/dbraw/zinc/35/68/87/691356887.db2.gz LMWLWKPRKYJRDS-GOSISDBHSA-N 1 3 307.482 2.195 20 0 DEADHO CC[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001041286401 691356890 /nfs/dbraw/zinc/35/68/90/691356890.db2.gz LMWLWKPRKYJRDS-GOSISDBHSA-N 1 3 307.482 2.195 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CC=C(C)C)C2)C1)N(C)C ZINC001041401481 691371186 /nfs/dbraw/zinc/37/11/86/691371186.db2.gz BJHLKGCYWVBZSE-SJLPKXTDSA-N 1 3 307.482 2.217 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC=C(C)C)C2)C1)N(C)C ZINC001041401481 691371188 /nfs/dbraw/zinc/37/11/88/691371188.db2.gz BJHLKGCYWVBZSE-SJLPKXTDSA-N 1 3 307.482 2.217 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001041674119 691408558 /nfs/dbraw/zinc/40/85/58/691408558.db2.gz IEFUPKJGUYNIGL-IEBWSBKVSA-N 1 3 319.493 2.361 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001041674119 691408560 /nfs/dbraw/zinc/40/85/60/691408560.db2.gz IEFUPKJGUYNIGL-IEBWSBKVSA-N 1 3 319.493 2.361 20 0 DEADHO CCC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@H]21 ZINC001042312981 691566511 /nfs/dbraw/zinc/56/65/11/691566511.db2.gz GWPPOTAHQVGEKW-UONOGXRCSA-N 1 3 304.438 2.020 20 0 DEADHO CCC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@H]21 ZINC001042312981 691566513 /nfs/dbraw/zinc/56/65/13/691566513.db2.gz GWPPOTAHQVGEKW-UONOGXRCSA-N 1 3 304.438 2.020 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@H]2C[NH2+]CC2(C)C)N(C)C)cc1 ZINC000884178740 691674938 /nfs/dbraw/zinc/67/49/38/691674938.db2.gz TUUUNHKMRQLADF-SJORKVTESA-N 1 3 317.477 2.214 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)[C@H]2C[NH2+]CC2(C)C)N(C)C)cc1 ZINC000884178738 691674965 /nfs/dbraw/zinc/67/49/65/691674965.db2.gz TUUUNHKMRQLADF-IAGOWNOFSA-N 1 3 317.477 2.214 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@H]([NH3+])CC2CC2)N2CCCC2)cc1 ZINC000884203735 691681990 /nfs/dbraw/zinc/68/19/90/691681990.db2.gz CXZPPWBNTJQKPH-QZTJIDSGSA-N 1 3 315.461 2.376 20 0 DEADHO C[NH2+][C@@H](CC(C)C)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000884220552 691685487 /nfs/dbraw/zinc/68/54/87/691685487.db2.gz WHCNXMXTCSOLLQ-WBVHZDCISA-N 1 3 305.466 2.257 20 0 DEADHO CC(C)[C@H]([NH3+])C(C)(C)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000884291576 691702000 /nfs/dbraw/zinc/70/20/00/691702000.db2.gz BPZYSLTWBHRGRP-HNNXBMFYSA-N 1 3 305.422 2.117 20 0 DEADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(C)C1CN(CC2CCCCCC2)C1 ZINC001043883439 691745566 /nfs/dbraw/zinc/74/55/66/691745566.db2.gz XWRWPZAPENKNFH-MAUKXSAKSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CN(CC2CCCCCC2)C1 ZINC001043883439 691745567 /nfs/dbraw/zinc/74/55/67/691745567.db2.gz XWRWPZAPENKNFH-MAUKXSAKSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CCC2CC2)CCN1C(=O)CN(C)C1CCC1 ZINC001044627665 691861708 /nfs/dbraw/zinc/86/17/08/691861708.db2.gz BIWQCDKLVMJQOL-ZBFHGGJFSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CC2CCC2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001044744307 691881177 /nfs/dbraw/zinc/88/11/77/691881177.db2.gz OFZSKKDPJUCPTC-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044750437 691881565 /nfs/dbraw/zinc/88/15/65/691881565.db2.gz OIUWUQHVDRIPPT-GDBMZVCRSA-N 1 3 312.417 2.122 20 0 DEADHO CN(CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccsc1)C1CCC1 ZINC001045070299 691935396 /nfs/dbraw/zinc/93/53/96/691935396.db2.gz BSYHKBILFUWBNW-INIZCTEOSA-N 1 3 321.490 2.313 20 0 DEADHO CC1CCN(CCC[NH2+][C@@H]2CCOC3(CCOCC3)C2)CC1 ZINC000885903347 691960739 /nfs/dbraw/zinc/96/07/39/691960739.db2.gz NCVHSMSOUMQAJG-QGZVFWFLSA-N 1 3 310.482 2.426 20 0 DEADHO O=C(CN1CCCC1)N1CCC[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC001045310761 691961876 /nfs/dbraw/zinc/96/18/76/691961876.db2.gz UPHQJMSEOUBLPR-KRWDZBQOSA-N 1 3 319.424 2.002 20 0 DEADHO CN1CCN(CC[NH2+][C@@H]2CCOC3(CCCCC3)C2)CC1(C)C ZINC000886104405 692004847 /nfs/dbraw/zinc/00/48/47/692004847.db2.gz BDALQOLYTMVQQC-QGZVFWFLSA-N 1 3 323.525 2.484 20 0 DEADHO CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045969258 692065085 /nfs/dbraw/zinc/06/50/85/692065085.db2.gz NCFKLCOXNNVTTI-GOSISDBHSA-N 1 3 318.465 2.457 20 0 DEADHO CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045969258 692065086 /nfs/dbraw/zinc/06/50/86/692065086.db2.gz NCFKLCOXNNVTTI-GOSISDBHSA-N 1 3 318.465 2.457 20 0 DEADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(CCSC(F)(F)F)CC1 ZINC000886839273 692207078 /nfs/dbraw/zinc/20/70/78/692207078.db2.gz ALNUEVSZCOCEDR-NEPJUHHUSA-N 1 3 312.401 2.458 20 0 DEADHO CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC1 ZINC001047244875 692402074 /nfs/dbraw/zinc/40/20/74/692402074.db2.gz VUDKPANPRCOPTB-ZWKOTPCHSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@@H]([NH2+]CC1CCCC1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048058996 692540768 /nfs/dbraw/zinc/54/07/68/692540768.db2.gz MWALAJVJPSNQDS-WBVHZDCISA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C[NH2+]CC1CCC1 ZINC001048387780 692610507 /nfs/dbraw/zinc/61/05/07/692610507.db2.gz SERAYNDLVMBGIJ-RDJZCZTQSA-N 1 3 321.509 2.203 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1CCC=CCC1 ZINC000889332612 692694109 /nfs/dbraw/zinc/69/41/09/692694109.db2.gz FXKLOKUURITWGM-HNNXBMFYSA-N 1 3 310.486 2.056 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1CCC=CCC1 ZINC000889332612 692694113 /nfs/dbraw/zinc/69/41/13/692694113.db2.gz FXKLOKUURITWGM-HNNXBMFYSA-N 1 3 310.486 2.056 20 0 DEADHO CC[C@H](C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001049037810 692749775 /nfs/dbraw/zinc/74/97/75/692749775.db2.gz AAYKXFFNMQIJPJ-MWDXBVQZSA-N 1 3 309.498 2.009 20 0 DEADHO CC[C@H](C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001049037810 692749778 /nfs/dbraw/zinc/74/97/78/692749778.db2.gz AAYKXFFNMQIJPJ-MWDXBVQZSA-N 1 3 309.498 2.009 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CC1)N(C)C ZINC001049706473 692970123 /nfs/dbraw/zinc/97/01/23/692970123.db2.gz ZGWGWJGRWNFNJJ-YESZJQIVSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CC1)N(C)C ZINC001049706473 692970125 /nfs/dbraw/zinc/97/01/25/692970125.db2.gz ZGWGWJGRWNFNJJ-YESZJQIVSA-N 1 3 307.482 2.048 20 0 DEADHO CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001049708280 692971150 /nfs/dbraw/zinc/97/11/50/692971150.db2.gz FOSDHTHXDHNDLX-YESZJQIVSA-N 1 3 309.498 2.438 20 0 DEADHO CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001049708280 692971153 /nfs/dbraw/zinc/97/11/53/692971153.db2.gz FOSDHTHXDHNDLX-YESZJQIVSA-N 1 3 309.498 2.438 20 0 DEADHO CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001050104673 693108734 /nfs/dbraw/zinc/10/87/34/693108734.db2.gz XYAQPOYIHMRPPD-RCCFBDPRSA-N 1 3 319.493 2.194 20 0 DEADHO CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001050104673 693108738 /nfs/dbraw/zinc/10/87/38/693108738.db2.gz XYAQPOYIHMRPPD-RCCFBDPRSA-N 1 3 319.493 2.194 20 0 DEADHO CC[C@H](C)C[NH+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001050662661 693226641 /nfs/dbraw/zinc/22/66/41/693226641.db2.gz LKXJJGPSEMXVCI-IRXDYDNUSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(C(C)(C)O)cc1 ZINC000925113513 693228048 /nfs/dbraw/zinc/22/80/48/693228048.db2.gz JLHOECBLUPYTOO-AWEZNQCLSA-N 1 3 306.450 2.021 20 0 DEADHO C[NH+]1CCC(O)(CN[C@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000925118668 693228737 /nfs/dbraw/zinc/22/87/37/693228737.db2.gz UHJWHTMCTGLCTH-AWEZNQCLSA-N 1 3 309.841 2.159 20 0 DEADHO CC(C)C(=O)N1CCC([NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925530636 693290207 /nfs/dbraw/zinc/29/02/07/693290207.db2.gz GESIVOMUCDIDML-ROUUACIJSA-N 1 3 321.509 2.391 20 0 DEADHO OC[C@H](Cc1ccccc1)N[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925645137 693315829 /nfs/dbraw/zinc/31/58/29/693315829.db2.gz NTUOATOTGPBEFY-FHWLQOOXSA-N 1 3 302.462 2.348 20 0 DEADHO c1c(CCN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)nc2n1CCS2 ZINC000925650026 693316650 /nfs/dbraw/zinc/31/66/50/693316650.db2.gz QYRUMTATQQBEDS-HOTGVXAUSA-N 1 3 320.506 2.289 20 0 DEADHO c1c(CC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)nc2n1CCS2 ZINC000925650026 693316653 /nfs/dbraw/zinc/31/66/53/693316653.db2.gz QYRUMTATQQBEDS-HOTGVXAUSA-N 1 3 320.506 2.289 20 0 DEADHO CC(=O)NCc1ccc(CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925711223 693327755 /nfs/dbraw/zinc/32/77/55/693327755.db2.gz DXNWWMQEHHXMBD-SJORKVTESA-N 1 3 303.450 2.318 20 0 DEADHO FC(F)CN1CCC[C@@H]1CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925722167 693329833 /nfs/dbraw/zinc/32/98/33/693329833.db2.gz HDOJHYDFWYAYEX-OWCLPIDISA-N 1 3 315.452 2.474 20 0 DEADHO FC(F)CN1CCC[C@@H]1C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925722167 693329837 /nfs/dbraw/zinc/32/98/37/693329837.db2.gz HDOJHYDFWYAYEX-OWCLPIDISA-N 1 3 315.452 2.474 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H]1CCN[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000925795982 693343830 /nfs/dbraw/zinc/34/38/30/693343830.db2.gz JDCLCSKBELDSLA-DDUZABMNSA-N 1 3 316.424 2.484 20 0 DEADHO C[C@@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)nc1 ZINC000925852587 693353338 /nfs/dbraw/zinc/35/33/38/693353338.db2.gz OYPXNSAHHRLOMH-DGCLKSJQSA-N 1 3 323.824 2.071 20 0 DEADHO CC1(C)[C@@H](NCCc2cccc3c2OCCO3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925876124 693358249 /nfs/dbraw/zinc/35/82/49/693358249.db2.gz XLMCZQXJDWRZFO-JLSDUUJJSA-N 1 3 316.445 2.367 20 0 DEADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCc1cccc2c1OCCO2 ZINC000925876124 693358254 /nfs/dbraw/zinc/35/82/54/693358254.db2.gz XLMCZQXJDWRZFO-JLSDUUJJSA-N 1 3 316.445 2.367 20 0 DEADHO CSC1CC(NCc2ccncc2OCCC[NH+](C)C)C1 ZINC000926434818 693448589 /nfs/dbraw/zinc/44/85/89/693448589.db2.gz IAFDNSNOQHJKRP-UHFFFAOYSA-N 1 3 309.479 2.396 20 0 DEADHO CCN1CCCN(C(=O)NC2CCC(C)([NH+]3CCC3)CC2)CC1 ZINC000927294648 693582405 /nfs/dbraw/zinc/58/24/05/693582405.db2.gz OQKRGFSUBRSUHV-UHFFFAOYSA-N 1 3 322.497 2.131 20 0 DEADHO CC(C)CC[C@H](O)C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001335352426 1150399117 /nfs/dbraw/zinc/39/91/17/1150399117.db2.gz WEVICRKYJOGZBS-BBWFWOEESA-N 1 3 300.487 2.263 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C[NH2+]Cc1ccsc1)C1CC1)N(C)C ZINC001379908983 1152712281 /nfs/dbraw/zinc/71/22/81/1152712281.db2.gz LJHMZOKOZHGGHR-HZPDHXFCSA-N 1 3 323.506 2.319 20 0 DEADHO CC[C@H](C(=O)N[C@H](C[NH2+]Cc1cccnc1)C(C)(C)C)N(C)C ZINC001380075335 1152746268 /nfs/dbraw/zinc/74/62/68/1152746268.db2.gz XWEOQATUZAIZFO-HZPDHXFCSA-N 1 3 320.481 2.042 20 0 DEADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]CC2CC3(CCC3)C2)C1 ZINC001380179270 1152763070 /nfs/dbraw/zinc/76/30/70/1152763070.db2.gz ZCZOEMUKHAHOEM-UHFFFAOYSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CCC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001380201874 1152767278 /nfs/dbraw/zinc/76/72/78/1152767278.db2.gz DLYUQWZWYGIXPM-SFHVURJKSA-N 1 3 318.465 2.313 20 0 DEADHO CC(C)CCC[N@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001380201874 1152767281 /nfs/dbraw/zinc/76/72/81/1152767281.db2.gz DLYUQWZWYGIXPM-SFHVURJKSA-N 1 3 318.465 2.313 20 0 DEADHO CC[C@H](C(=O)N[C@H](C[NH2+]CC1CCC1)C1CCCC1)N(C)C ZINC001380323495 1152788702 /nfs/dbraw/zinc/78/87/02/1152788702.db2.gz LNRJDWBCIDUDBT-IAGOWNOFSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCC1 ZINC001361992652 1152796175 /nfs/dbraw/zinc/79/61/75/1152796175.db2.gz DOWYQABJDVQEEH-CQSZACIVSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001380689300 1152844795 /nfs/dbraw/zinc/84/47/95/1152844795.db2.gz ZMOLIDJZOGANJZ-JKSUJKDBSA-N 1 3 311.514 2.447 20 0 DEADHO C[C@@H](CC[NH+](C)C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001362261385 1152863657 /nfs/dbraw/zinc/86/36/57/1152863657.db2.gz QQABEZXFBJOHKN-FUHWJXTLSA-N 1 3 317.477 2.307 20 0 DEADHO CC[C@H](F)CN(C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001380956080 1152885330 /nfs/dbraw/zinc/88/53/30/1152885330.db2.gz FCTNSAYCESZZHY-HOTGVXAUSA-N 1 3 315.477 2.388 20 0 DEADHO CC[C@H](F)CN(C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001380956080 1152885332 /nfs/dbraw/zinc/88/53/32/1152885332.db2.gz FCTNSAYCESZZHY-HOTGVXAUSA-N 1 3 315.477 2.388 20 0 DEADHO CCC1([NH2+]CC[C@@H](C)F)CCN(C(=O)CN2CCCC2)CC1 ZINC001381024551 1152894588 /nfs/dbraw/zinc/89/45/88/1152894588.db2.gz ZCRRBNRWPXBBQC-OAHLLOKOSA-N 1 3 313.461 2.191 20 0 DEADHO CC[C@H](C)C[N@H+](C)C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001381299160 1152995506 /nfs/dbraw/zinc/99/55/06/1152995506.db2.gz SBHHHPMRYFXAHI-JKSUJKDBSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C)C[N@@H+](C)C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001381299160 1152995508 /nfs/dbraw/zinc/99/55/08/1152995508.db2.gz SBHHHPMRYFXAHI-JKSUJKDBSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)[C@H](C(=O)NC1CC(C[NH2+]Cc2ccsc2)C1)N(C)C ZINC001381333527 1153007508 /nfs/dbraw/zinc/00/75/08/1153007508.db2.gz UHKDWLHYRGLYEZ-UYSNPLJNSA-N 1 3 323.506 2.319 20 0 DEADHO O=C(N[C@@]12CCN(C1)CCC2)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001363202054 1153265895 /nfs/dbraw/zinc/26/58/95/1153265895.db2.gz OSFAWDNFWARKQZ-AEFFLSMTSA-N 1 3 305.466 2.138 20 0 DEADHO O=C(N[C@@]12CCN(C1)CCC2)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001363202054 1153265898 /nfs/dbraw/zinc/26/58/98/1153265898.db2.gz OSFAWDNFWARKQZ-AEFFLSMTSA-N 1 3 305.466 2.138 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCC3CC3)C[C@H]2C1 ZINC001381921516 1153274798 /nfs/dbraw/zinc/27/47/98/1153274798.db2.gz BHGADLMHZXTYMJ-RCCFBDPRSA-N 1 3 321.509 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCC3CC3)C[C@H]2C1 ZINC001381921516 1153274802 /nfs/dbraw/zinc/27/48/02/1153274802.db2.gz BHGADLMHZXTYMJ-RCCFBDPRSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@H](C)C[N@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001381979492 1153301887 /nfs/dbraw/zinc/30/18/87/1153301887.db2.gz MVXGUXYDFLPCDG-HNNXBMFYSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C)C[N@@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001381979492 1153301890 /nfs/dbraw/zinc/30/18/90/1153301890.db2.gz MVXGUXYDFLPCDG-HNNXBMFYSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H]1CCCN1C(=O)CCN1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001363311383 1153328677 /nfs/dbraw/zinc/32/86/77/1153328677.db2.gz KLJUDHFXNTYYNK-QRQLOZEOSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@@H]1CCCN1C(=O)CCN1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001363311383 1153328683 /nfs/dbraw/zinc/32/86/83/1153328683.db2.gz KLJUDHFXNTYYNK-QRQLOZEOSA-N 1 3 319.493 2.195 20 0 DEADHO COc1cncc(/C=C\CCN2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c1 ZINC001363843271 1153662206 /nfs/dbraw/zinc/66/22/06/1153662206.db2.gz VOBBIMOXIXNWII-AKGBKDGASA-N 1 3 301.434 2.377 20 0 DEADHO COc1cncc(/C=C\CCN2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c1 ZINC001363843271 1153662210 /nfs/dbraw/zinc/66/22/10/1153662210.db2.gz VOBBIMOXIXNWII-AKGBKDGASA-N 1 3 301.434 2.377 20 0 DEADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001363846205 1153664814 /nfs/dbraw/zinc/66/48/14/1153664814.db2.gz CKPUYBFUWPKETR-HKUYNNGSSA-N 1 3 320.477 2.490 20 0 DEADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001363846205 1153664818 /nfs/dbraw/zinc/66/48/18/1153664818.db2.gz CKPUYBFUWPKETR-HKUYNNGSSA-N 1 3 320.477 2.490 20 0 DEADHO Cc1ccc(F)cc1CN[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC001363862960 1153677603 /nfs/dbraw/zinc/67/76/03/1153677603.db2.gz JJNIAKPOVBYJRY-KRWDZBQOSA-N 1 3 323.456 2.316 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 ZINC001388737728 1155077994 /nfs/dbraw/zinc/07/79/94/1155077994.db2.gz WZVICFFJADDEGG-WKILWMFISA-N 1 3 318.465 2.325 20 0 DEADHO CN(CC(=O)N1CC[C@H]([NH2+]Cc2ccsc2)C1)CC(C)(C)C ZINC001389798572 1155434526 /nfs/dbraw/zinc/43/45/26/1155434526.db2.gz AVEDYXKGGNMYCY-HNNXBMFYSA-N 1 3 323.506 2.417 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001389817689 1155441481 /nfs/dbraw/zinc/44/14/81/1155441481.db2.gz KXKXACCJCSECRC-INIZCTEOSA-N 1 3 323.868 2.372 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001389902857 1155466924 /nfs/dbraw/zinc/46/69/24/1155466924.db2.gz AMYGDNRXYQZCAR-QAQDUYKDSA-N 1 3 303.450 2.072 20 0 DEADHO CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1)N(C)C ZINC001389934708 1155475542 /nfs/dbraw/zinc/47/55/42/1155475542.db2.gz COQBAYIIPSTHQH-HMQMGEFJSA-N 1 3 307.482 2.238 20 0 DEADHO CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1)N(C)C ZINC001389934708 1155475544 /nfs/dbraw/zinc/47/55/44/1155475544.db2.gz COQBAYIIPSTHQH-HMQMGEFJSA-N 1 3 307.482 2.238 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1)N(C)C ZINC001389987959 1155491411 /nfs/dbraw/zinc/49/14/11/1155491411.db2.gz WOILTGWDNSFLLK-QMCVQRASSA-N 1 3 303.450 2.325 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](C)Cc1ccc(C)c(C)c1)N(C)C ZINC001390779410 1155867266 /nfs/dbraw/zinc/86/72/66/1155867266.db2.gz VKEZADAWVIRRIJ-QGZVFWFLSA-N 1 3 305.466 2.192 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](C)Cc1ccc(C)c(C)c1)N(C)C ZINC001390779410 1155867268 /nfs/dbraw/zinc/86/72/68/1155867268.db2.gz VKEZADAWVIRRIJ-QGZVFWFLSA-N 1 3 305.466 2.192 20 0 DEADHO C[C@@H]1CC[N@H+](CC(=O)NCCN(C)Cc2ccc(CF)cc2)C1 ZINC001390819283 1155882535 /nfs/dbraw/zinc/88/25/35/1155882535.db2.gz PIPUHSHVRHUYHM-OAHLLOKOSA-N 1 3 321.440 2.046 20 0 DEADHO C[C@@H]1CC[N@@H+](CC(=O)NCCN(C)Cc2ccc(CF)cc2)C1 ZINC001390819283 1155882536 /nfs/dbraw/zinc/88/25/36/1155882536.db2.gz PIPUHSHVRHUYHM-OAHLLOKOSA-N 1 3 321.440 2.046 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](C)[C@@H]1CCc2ccccc21)N(C)C ZINC001390847305 1155890260 /nfs/dbraw/zinc/89/02/60/1155890260.db2.gz NAMBFGUGVVAJHE-IAGOWNOFSA-N 1 3 303.450 2.062 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](C)[C@@H]1CCc2ccccc21)N(C)C ZINC001390847305 1155890261 /nfs/dbraw/zinc/89/02/61/1155890261.db2.gz NAMBFGUGVVAJHE-IAGOWNOFSA-N 1 3 303.450 2.062 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN(Cc2ccccc2F)C1 ZINC001391114159 1156126706 /nfs/dbraw/zinc/12/67/06/1156126706.db2.gz QYQZYLBVURCFSO-OAHLLOKOSA-N 1 3 321.440 2.106 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN(Cc2ccccc2F)C1 ZINC001391114159 1156126722 /nfs/dbraw/zinc/12/67/22/1156126722.db2.gz QYQZYLBVURCFSO-OAHLLOKOSA-N 1 3 321.440 2.106 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)CC1CC(C)(C)C1 ZINC001403125517 1162759533 /nfs/dbraw/zinc/75/95/33/1162759533.db2.gz DGGTTWZTPDALGJ-CQSZACIVSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)CC1CC(C)(C)C1 ZINC001403125517 1162759543 /nfs/dbraw/zinc/75/95/43/1162759543.db2.gz DGGTTWZTPDALGJ-CQSZACIVSA-N 1 3 309.498 2.343 20 0 DEADHO CCN(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)Cc1ccc(F)cc1 ZINC001372462185 1156437583 /nfs/dbraw/zinc/43/75/83/1156437583.db2.gz MWZQYAGNWXGNMQ-QGZVFWFLSA-N 1 3 323.456 2.350 20 0 DEADHO CC[N@H+](C)CCC(=O)NCC1CN([C@@H](C)c2ccccc2C)C1 ZINC001391513072 1156480917 /nfs/dbraw/zinc/48/09/17/1156480917.db2.gz XKDHLZVUNGHWDZ-INIZCTEOSA-N 1 3 317.477 2.446 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCC1CN([C@@H](C)c2ccccc2C)C1 ZINC001391513072 1156480921 /nfs/dbraw/zinc/48/09/21/1156480921.db2.gz XKDHLZVUNGHWDZ-INIZCTEOSA-N 1 3 317.477 2.446 20 0 DEADHO O=C(CC[NH+]1CCCCC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001391595289 1156580965 /nfs/dbraw/zinc/58/09/65/1156580965.db2.gz WOZPDMPRFBZLDW-GOSISDBHSA-N 1 3 315.461 2.253 20 0 DEADHO CC[C@@H](F)C[N@@H+]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001372663991 1156653193 /nfs/dbraw/zinc/65/31/93/1156653193.db2.gz TWZRZGWUAYFPKK-HUUCEWRRSA-N 1 3 315.477 2.151 20 0 DEADHO CC[C@@H](F)C[N@H+]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001372663991 1156653205 /nfs/dbraw/zinc/65/32/05/1156653205.db2.gz TWZRZGWUAYFPKK-HUUCEWRRSA-N 1 3 315.477 2.151 20 0 DEADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+]Cc1ccccc1F ZINC001391912875 1156830979 /nfs/dbraw/zinc/83/09/79/1156830979.db2.gz FZSAOXHAUMWSBL-AWEZNQCLSA-N 1 3 321.440 2.152 20 0 DEADHO CC[C@H](F)C[N@H+](C)CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001373333025 1156990607 /nfs/dbraw/zinc/99/06/07/1156990607.db2.gz GUVKANAHSUKOFY-INIZCTEOSA-N 1 3 315.477 2.245 20 0 DEADHO CC[C@H](F)C[N@@H+](C)CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001373333025 1156990620 /nfs/dbraw/zinc/99/06/20/1156990620.db2.gz GUVKANAHSUKOFY-INIZCTEOSA-N 1 3 315.477 2.245 20 0 DEADHO CCc1ccccc1CN(C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001392327606 1157021807 /nfs/dbraw/zinc/02/18/07/1157021807.db2.gz RIKXXABNLHPBMB-SFHVURJKSA-N 1 3 317.477 2.091 20 0 DEADHO CCc1ccccc1CN(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392327606 1157021812 /nfs/dbraw/zinc/02/18/12/1157021812.db2.gz RIKXXABNLHPBMB-SFHVURJKSA-N 1 3 317.477 2.091 20 0 DEADHO CC(C)C[C@H](C)C[NH+]1CC(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001373546686 1157090635 /nfs/dbraw/zinc/09/06/35/1157090635.db2.gz PIJUMQYNLIIIBG-RDJZCZTQSA-N 1 3 311.514 2.303 20 0 DEADHO CC[C@H](C(=O)NCC1C[NH+](Cc2cc(C)ccc2C)C1)N(C)C ZINC001373550222 1157091916 /nfs/dbraw/zinc/09/19/16/1157091916.db2.gz OSQVQUFNOWFKAU-GOSISDBHSA-N 1 3 317.477 2.192 20 0 DEADHO Cc1ccc(F)c(CNC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC001392569099 1157143816 /nfs/dbraw/zinc/14/38/16/1157143816.db2.gz VVCYLLAGUORVTD-YOEHRIQHSA-N 1 3 323.456 2.315 20 0 DEADHO C[C@@H](NC(=O)CCC[NH+](C)C)C1CN(CCc2cccs2)C1 ZINC001403321128 1162849675 /nfs/dbraw/zinc/84/96/75/1162849675.db2.gz VBQWEAJKEAXOEC-CQSZACIVSA-N 1 3 323.506 2.069 20 0 DEADHO C[C@@H](CN(C)Cc1cccc(F)c1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001392690620 1157341009 /nfs/dbraw/zinc/34/10/09/1157341009.db2.gz HEBINZXCHPVUJE-AWEZNQCLSA-N 1 3 321.440 2.104 20 0 DEADHO CC[C@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1ccc(C)cc1 ZINC001373798552 1157371926 /nfs/dbraw/zinc/37/19/26/1157371926.db2.gz SIPCEDSQFKJHHR-SJORKVTESA-N 1 3 305.466 2.320 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccccc1C)C1CC1)N(C)C ZINC001392784695 1157412128 /nfs/dbraw/zinc/41/21/28/1157412128.db2.gz NZBKADXUPUFZNC-ZWKOTPCHSA-N 1 3 317.477 2.320 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@H](NC(=O)CN(C)C(C)C)C1CC1 ZINC001392796436 1157422298 /nfs/dbraw/zinc/42/22/98/1157422298.db2.gz CNMATQAPHWDZBK-SFHVURJKSA-N 1 3 317.477 2.320 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CC4CC4)C[C@H]3C2)CCC1 ZINC001403398177 1162872187 /nfs/dbraw/zinc/87/21/87/1162872187.db2.gz AYDYZIMVJNMSKG-BRWVUGGUSA-N 1 3 319.493 2.097 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](CC4CC4)C[C@H]3C2)CCC1 ZINC001403398177 1162872190 /nfs/dbraw/zinc/87/21/90/1162872190.db2.gz AYDYZIMVJNMSKG-BRWVUGGUSA-N 1 3 319.493 2.097 20 0 DEADHO C[C@@H](C[NH2+]Cc1cccc(F)c1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001374233599 1157751827 /nfs/dbraw/zinc/75/18/27/1157751827.db2.gz NMRMLHXGSMOOGU-AWEZNQCLSA-N 1 3 321.440 2.247 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@H+](CCC)C1 ZINC001393210466 1157767098 /nfs/dbraw/zinc/76/70/98/1157767098.db2.gz XHZFHOAMGZSXQE-FUHWJXTLSA-N 1 3 309.498 2.489 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](CCC)C1 ZINC001393210466 1157767105 /nfs/dbraw/zinc/76/71/05/1157767105.db2.gz XHZFHOAMGZSXQE-FUHWJXTLSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@H](C[NH2+]CC1CC(C)(C)C1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001374283254 1157801403 /nfs/dbraw/zinc/80/14/03/1157801403.db2.gz RGGAMHXYIZMLNE-GJZGRUSLSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@H]([NH2+]CCC1CC1)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001393391114 1157818487 /nfs/dbraw/zinc/81/84/87/1157818487.db2.gz POUIAOXHXOVMKR-WMZOPIPTSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H](C[NH2+]Cc1ccc(F)cc1)NC(=O)CN(C)CC(C)(C)C ZINC001374815206 1158039849 /nfs/dbraw/zinc/03/98/49/1158039849.db2.gz WRPPHXNMCXNRTE-CQSZACIVSA-N 1 3 323.456 2.398 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CC1CCC1)C1CC1 ZINC001403513284 1162920398 /nfs/dbraw/zinc/92/03/98/1162920398.db2.gz OQPVIMXBILNHDT-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](F)CNC[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001374921118 1158092245 /nfs/dbraw/zinc/09/22/45/1158092245.db2.gz RTLANJUNNVLPAG-GJZGRUSLSA-N 1 3 315.477 2.341 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccccc1C ZINC001374962051 1158130825 /nfs/dbraw/zinc/13/08/25/1158130825.db2.gz COHUPOZGVVFAKH-JKSUJKDBSA-N 1 3 305.466 2.492 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)cc1 ZINC001374980834 1158151358 /nfs/dbraw/zinc/15/13/58/1158151358.db2.gz ATLHKQYNTWSWPZ-YOEHRIQHSA-N 1 3 321.440 2.294 20 0 DEADHO CC(C)[NH2+]C[C@H](C1CC1)N(C)C(=O)C(C)(C)N1CCCCC1 ZINC001394420039 1158507247 /nfs/dbraw/zinc/50/72/47/1158507247.db2.gz BXLACCDSSAQHHQ-MRXNPFEDSA-N 1 3 309.498 2.486 20 0 DEADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(C)c1 ZINC001394542885 1158623460 /nfs/dbraw/zinc/62/34/60/1158623460.db2.gz QULJTKZVMBVUDL-MRXNPFEDSA-N 1 3 305.466 2.273 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2cccc(F)c2)C[C@H]1C ZINC001394667355 1158662273 /nfs/dbraw/zinc/66/22/73/1158662273.db2.gz IVFPDZGXWMFTOA-PBHICJAKSA-N 1 3 321.440 2.247 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)[C@@H](C[NH2+]CC1CCC1)C1CC1)N(C)C ZINC001403539852 1162978843 /nfs/dbraw/zinc/97/88/43/1162978843.db2.gz XFUUAKNSOPBXER-IRXDYDNUSA-N 1 3 309.498 2.199 20 0 DEADHO C[C@@H](N[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1)c1ccccc1F ZINC001375504717 1158779756 /nfs/dbraw/zinc/77/97/56/1158779756.db2.gz ZETGFJZWERDPSO-KFWWJZLASA-N 1 3 321.440 2.323 20 0 DEADHO CC[C@H](F)CN1CCC([C@H](C)NC(=O)CC[N@H+](C)CC)CC1 ZINC001394848695 1158812656 /nfs/dbraw/zinc/81/26/56/1158812656.db2.gz YAXIMHARJRJNMP-HOCLYGCPSA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@H](F)CN1CCC([C@H](C)NC(=O)CC[N@@H+](C)CC)CC1 ZINC001394848695 1158812658 /nfs/dbraw/zinc/81/26/58/1158812658.db2.gz YAXIMHARJRJNMP-HOCLYGCPSA-N 1 3 315.477 2.293 20 0 DEADHO CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001375948940 1159016196 /nfs/dbraw/zinc/01/61/96/1159016196.db2.gz GTUDFAVIVWXCBD-SFHVURJKSA-N 1 3 309.498 2.489 20 0 DEADHO CCC[N@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001375948940 1159016204 /nfs/dbraw/zinc/01/62/04/1159016204.db2.gz GTUDFAVIVWXCBD-SFHVURJKSA-N 1 3 309.498 2.489 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H](CNC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001376237453 1159269482 /nfs/dbraw/zinc/26/94/82/1159269482.db2.gz DZKMAMVZNBHHKX-HUUCEWRRSA-N 1 3 313.461 2.093 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC001376494062 1159477912 /nfs/dbraw/zinc/47/79/12/1159477912.db2.gz KXDSMYDZOCPTHD-CALCHBBNSA-N 1 3 303.450 2.074 20 0 DEADHO Cc1csc(N2CCC([NH2+][C@@H]3CC[C@H]4CN(C)C[C@@H]43)CC2)n1 ZINC001414118997 1159530022 /nfs/dbraw/zinc/53/00/22/1159530022.db2.gz MKSFWNNCMKHOHI-CWRNSKLLSA-N 1 3 320.506 2.350 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H]1CCC[N@H+](CCCF)C1 ZINC001376613700 1159600699 /nfs/dbraw/zinc/60/06/99/1159600699.db2.gz AAQMLVNWGOTCNF-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H]1CCC[N@@H+](CCCF)C1 ZINC001376613700 1159600723 /nfs/dbraw/zinc/60/07/23/1159600723.db2.gz AAQMLVNWGOTCNF-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001376917544 1159845191 /nfs/dbraw/zinc/84/51/91/1159845191.db2.gz GKHDPLYULCFHML-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO CC[N@H+](C)CCC(=O)N(C)C[C@H]1CCN1CCc1cccs1 ZINC001397050791 1159921109 /nfs/dbraw/zinc/92/11/09/1159921109.db2.gz QWSVWXYGXPCQQB-OAHLLOKOSA-N 1 3 323.506 2.165 20 0 DEADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H]1CCN1CCc1cccs1 ZINC001397050791 1159921114 /nfs/dbraw/zinc/92/11/14/1159921114.db2.gz QWSVWXYGXPCQQB-OAHLLOKOSA-N 1 3 323.506 2.165 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C/C=C\Cl)C1 ZINC001397119471 1160001489 /nfs/dbraw/zinc/00/14/89/1160001489.db2.gz HPORNLWPFSWLJS-JTMMFLHMSA-N 1 3 313.873 2.096 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[N@H+](C)CCCc2ccsc2)C1 ZINC001403679940 1163086794 /nfs/dbraw/zinc/08/67/94/1163086794.db2.gz AWHJUKYOQICALE-OAHLLOKOSA-N 1 3 323.506 2.071 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[N@@H+](C)CCCc2ccsc2)C1 ZINC001403679940 1163086801 /nfs/dbraw/zinc/08/68/01/1163086801.db2.gz AWHJUKYOQICALE-OAHLLOKOSA-N 1 3 323.506 2.071 20 0 DEADHO CC(C)C[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001397628092 1160370991 /nfs/dbraw/zinc/37/09/91/1160370991.db2.gz JAEDMULTBLILCS-XDNAFOTISA-N 1 3 323.525 2.495 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@H](C)NC/C(Cl)=C/Cl)[NH+](C)C ZINC001377513402 1160453357 /nfs/dbraw/zinc/45/33/57/1160453357.db2.gz MCDLFYSFYTUUET-PPHUXIPZSA-N 1 3 324.296 2.376 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC[N@H+](CC1CC1)C1CC1 ZINC001377545016 1160533411 /nfs/dbraw/zinc/53/34/11/1160533411.db2.gz ABOBVCOHCSEZCD-KRWDZBQOSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC[N@@H+](CC1CC1)C1CC1 ZINC001377545016 1160533424 /nfs/dbraw/zinc/53/34/24/1160533424.db2.gz ABOBVCOHCSEZCD-KRWDZBQOSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+]Cc2ccsc2)C1 ZINC001377733238 1160800124 /nfs/dbraw/zinc/80/01/24/1160800124.db2.gz JFGBBQMGJOQCST-UHFFFAOYSA-N 1 3 309.479 2.073 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001398537139 1160956806 /nfs/dbraw/zinc/95/68/06/1160956806.db2.gz IMXPJSBKJXTDOS-ULQDDVLXSA-N 1 3 321.440 2.149 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001398540573 1160959886 /nfs/dbraw/zinc/95/98/86/1160959886.db2.gz PUJAYYPZRUBRJI-VQHPVUNQSA-N 1 3 311.514 2.492 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@H+](CC(C)C)CC[C@H]21 ZINC001398589476 1161005147 /nfs/dbraw/zinc/00/51/47/1161005147.db2.gz VBIJFXXVDUVZAG-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001398668076 1161045059 /nfs/dbraw/zinc/04/50/59/1161045059.db2.gz DXHZANDDSGFBNC-FGTMMUONSA-N 1 3 317.477 2.318 20 0 DEADHO Cc1cccc(C)c1C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001399060021 1161211073 /nfs/dbraw/zinc/21/10/73/1161211073.db2.gz YVMZBHJMCXNPEM-SJLPKXTDSA-N 1 3 319.493 2.484 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CNC(=O)CN(C)C(C)C)cc1F ZINC001399156312 1161262315 /nfs/dbraw/zinc/26/23/15/1161262315.db2.gz HFWYSUBCRHJKIY-CQSZACIVSA-N 1 3 309.429 2.069 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001399233169 1161295368 /nfs/dbraw/zinc/29/53/68/1161295368.db2.gz XVNHRGGAYZKYTD-SFHVURJKSA-N 1 3 317.477 2.336 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](CC1CC2(CCC2)C1)C1CC1)N(C)C ZINC001400044188 1161640661 /nfs/dbraw/zinc/64/06/61/1161640661.db2.gz USXHEGWXCZODSL-KRWDZBQOSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](CC1CC2(CCC2)C1)C1CC1)N(C)C ZINC001400044188 1161640664 /nfs/dbraw/zinc/64/06/64/1161640664.db2.gz USXHEGWXCZODSL-KRWDZBQOSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccsc1 ZINC001400812342 1161826155 /nfs/dbraw/zinc/82/61/55/1161826155.db2.gz KECLQXUEOZPSAB-AWEZNQCLSA-N 1 3 309.479 2.217 20 0 DEADHO Cc1ccc(F)c(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001401205820 1161893667 /nfs/dbraw/zinc/89/36/67/1161893667.db2.gz UOEAMWPIUFTYJB-YOEHRIQHSA-N 1 3 321.440 2.165 20 0 DEADHO C[C@H](C[NH2+]Cc1ccc(CF)cc1)N(C)C(=O)CN1CCCC1 ZINC001401254512 1161906392 /nfs/dbraw/zinc/90/63/92/1161906392.db2.gz DWKSINVLHXGLTQ-OAHLLOKOSA-N 1 3 321.440 2.188 20 0 DEADHO CCc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)CN2CCCC2)c1 ZINC001401258278 1161907544 /nfs/dbraw/zinc/90/75/44/1161907544.db2.gz LRZMBZUIJNJHPC-INIZCTEOSA-N 1 3 317.477 2.281 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@]2(C1)CCC[N@H+](CC(C)C)C2 ZINC001401998195 1162211085 /nfs/dbraw/zinc/21/10/85/1162211085.db2.gz IJJLDIGEVYGNHW-GOSISDBHSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC(C)C)C2 ZINC001401998195 1162211090 /nfs/dbraw/zinc/21/10/90/1162211090.db2.gz IJJLDIGEVYGNHW-GOSISDBHSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC2CC(C)(C)C2)C[C@H]1C ZINC001403785267 1163181542 /nfs/dbraw/zinc/18/15/42/1163181542.db2.gz WRQBIEYHRFNUTM-GDBMZVCRSA-N 1 3 309.498 2.342 20 0 DEADHO CCN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)Cc1cccc(C)c1 ZINC001403927666 1163301207 /nfs/dbraw/zinc/30/12/07/1163301207.db2.gz XCBXUCSAMMJMKA-GOSISDBHSA-N 1 3 317.477 2.275 20 0 DEADHO CCN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)Cc1cccc(C)c1 ZINC001403927666 1163301215 /nfs/dbraw/zinc/30/12/15/1163301215.db2.gz XCBXUCSAMMJMKA-GOSISDBHSA-N 1 3 317.477 2.275 20 0 DEADHO C[C@H](NCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)c1ccccc1F ZINC001404306320 1163573204 /nfs/dbraw/zinc/57/32/04/1163573204.db2.gz AGLJRTGTHUKMBF-GJZGRUSLSA-N 1 3 321.440 2.277 20 0 DEADHO C[C@H](NCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1)c1ccccc1F ZINC001404306320 1163573210 /nfs/dbraw/zinc/57/32/10/1163573210.db2.gz AGLJRTGTHUKMBF-GJZGRUSLSA-N 1 3 321.440 2.277 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@H]1CCc2ccccc21 ZINC001404444396 1163644146 /nfs/dbraw/zinc/64/41/46/1163644146.db2.gz ITSRJWZIEPIKJA-KRWDZBQOSA-N 1 3 303.450 2.064 20 0 DEADHO CC[C@H](CNC(=O)[C@@H](CC)N(C)C)[NH2+]Cc1ccc(C)cc1 ZINC001405270683 1164033771 /nfs/dbraw/zinc/03/37/71/1164033771.db2.gz SIPCEDSQFKJHHR-IAGOWNOFSA-N 1 3 305.466 2.320 20 0 DEADHO Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)C2(N(C)C)CCC2)cs1 ZINC001405671584 1164180458 /nfs/dbraw/zinc/18/04/58/1164180458.db2.gz MJNYAYSNSXHNIY-CYBMUJFWSA-N 1 3 323.506 2.383 20 0 DEADHO CC(C)[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccccc1 ZINC001406051500 1164409272 /nfs/dbraw/zinc/40/92/72/1164409272.db2.gz XDXHEJAIIIFQNM-WMZOPIPTSA-N 1 3 317.477 2.259 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001406223693 1164509032 /nfs/dbraw/zinc/50/90/32/1164509032.db2.gz XAFWXLFOUZHSQO-HZPDHXFCSA-N 1 3 309.498 2.391 20 0 DEADHO CCN(CC[NH2+][C@@H]1CCc2ccccc21)C(=O)CN1CCCC1 ZINC001406332584 1164537648 /nfs/dbraw/zinc/53/76/48/1164537648.db2.gz BMJQRASGANYYLD-GOSISDBHSA-N 1 3 315.461 2.208 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001407689149 1165258227 /nfs/dbraw/zinc/25/82/27/1165258227.db2.gz HUFPNLYBCXALNU-KKUMJFAQSA-N 1 3 324.444 2.273 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC(C)C ZINC001408359235 1165612733 /nfs/dbraw/zinc/61/27/33/1165612733.db2.gz VWVARIVOQXVTTI-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC(C)C ZINC001408359235 1165612736 /nfs/dbraw/zinc/61/27/36/1165612736.db2.gz VWVARIVOQXVTTI-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[C@@H]3CN(C)C[C@@H]13)C2 ZINC001414193528 1165738643 /nfs/dbraw/zinc/73/86/43/1165738643.db2.gz GPHUUFONZZLPKC-CYGHRXIMSA-N 1 3 300.446 2.482 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001417962406 1167330718 /nfs/dbraw/zinc/33/07/18/1167330718.db2.gz NYFQFYYPRXYURM-PXYYCUNGSA-N 1 3 313.873 2.051 20 0 DEADHO Cc1cc(F)ccc1C[NH2+][C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001418231989 1167507618 /nfs/dbraw/zinc/50/76/18/1167507618.db2.gz ANKSSGMJACVIJC-AWEZNQCLSA-N 1 3 321.440 2.213 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)[C@@H]1C)N1CCCCC1 ZINC001418814830 1167982827 /nfs/dbraw/zinc/98/28/27/1167982827.db2.gz DACXUQYEIKMVNA-BPQIPLTHSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CC2)[C@@H]1C)N1CCCCC1 ZINC001418814830 1167982831 /nfs/dbraw/zinc/98/28/31/1167982831.db2.gz DACXUQYEIKMVNA-BPQIPLTHSA-N 1 3 321.509 2.486 20 0 DEADHO CC[C@@H](C)C[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001418935078 1168078413 /nfs/dbraw/zinc/07/84/13/1168078413.db2.gz XVACBAFNZGERFV-CVEARBPZSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C)C[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001418935078 1168078418 /nfs/dbraw/zinc/07/84/18/1168078418.db2.gz XVACBAFNZGERFV-CVEARBPZSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]CC1CC(F)(F)C1 ZINC001419265321 1168358466 /nfs/dbraw/zinc/35/84/66/1168358466.db2.gz VWUWNEMVPDAMEA-KBPBESRZSA-N 1 3 319.440 2.102 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(C)C)C1 ZINC001419560942 1168599376 /nfs/dbraw/zinc/59/93/76/1168599376.db2.gz AULZBIPZCMOMSY-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@@H](CNC(=O)[C@H]1CCCCN1C(C)C)[NH2+]CC1CC1 ZINC001419897044 1168896378 /nfs/dbraw/zinc/89/63/78/1168896378.db2.gz AUIARHSIXHJKRH-IAGOWNOFSA-N 1 3 309.498 2.390 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(C)c(F)c1 ZINC001419905054 1168899603 /nfs/dbraw/zinc/89/96/03/1168899603.db2.gz HLGLPZGSKQTHJD-CQSZACIVSA-N 1 3 309.429 2.070 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001420008220 1169054625 /nfs/dbraw/zinc/05/46/25/1169054625.db2.gz DSEJISHQASDDBO-IAGOWNOFSA-N 1 3 309.498 2.203 20 0 DEADHO CCN(CC[NH2+][C@H](C)c1cccc(F)c1)C(=O)[C@H]1CCCN1C ZINC001420234973 1169267140 /nfs/dbraw/zinc/26/71/40/1169267140.db2.gz IGUVPGITOJEEIE-RHSMWYFYSA-N 1 3 321.440 2.419 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001420546599 1169766723 /nfs/dbraw/zinc/76/67/23/1169766723.db2.gz QESIUNDFOQVURU-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001420546599 1169766740 /nfs/dbraw/zinc/76/67/40/1169766740.db2.gz QESIUNDFOQVURU-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CC[N@H+](C)CCC(=O)NCC1(NCc2cc(C)sc2C)CC1 ZINC001420994380 1171412435 /nfs/dbraw/zinc/41/24/35/1171412435.db2.gz SCLTYTAWZTTYEL-UHFFFAOYSA-N 1 3 323.506 2.445 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCC1(NCc2cc(C)sc2C)CC1 ZINC001420994380 1171412440 /nfs/dbraw/zinc/41/24/40/1171412440.db2.gz SCLTYTAWZTTYEL-UHFFFAOYSA-N 1 3 323.506 2.445 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@]1(C)CCN(Cc2csc(C)c2)C1 ZINC001421213667 1171596757 /nfs/dbraw/zinc/59/67/57/1171596757.db2.gz PEMJQVRONJZBNJ-KRWDZBQOSA-N 1 3 323.506 2.479 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@]1(C)CCN(Cc2csc(C)c2)C1 ZINC001421213667 1171596763 /nfs/dbraw/zinc/59/67/63/1171596763.db2.gz PEMJQVRONJZBNJ-KRWDZBQOSA-N 1 3 323.506 2.479 20 0 DEADHO CC(C)C[NH+]1CCC(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001421633671 1171876088 /nfs/dbraw/zinc/87/60/88/1171876088.db2.gz OVCMNSNUKLDMGU-MRXNPFEDSA-N 1 3 309.498 2.203 20 0 DEADHO Cc1cc(C[NH2+]C[C@H](C)CNC(=O)Cc2nc[nH]c2C)cs1 ZINC001421769434 1171982140 /nfs/dbraw/zinc/98/21/40/1171982140.db2.gz MHYJWSYFCBEDST-NSHDSACASA-N 1 3 320.462 2.173 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CCC(F)(F)F)CC1)N(C)C ZINC001421818679 1172014840 /nfs/dbraw/zinc/01/48/40/1172014840.db2.gz HJPGLBOGZZAVGR-STQMWFEESA-N 1 3 323.403 2.250 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCC(F)(F)F)CC1)N(C)C ZINC001421818679 1172014852 /nfs/dbraw/zinc/01/48/52/1172014852.db2.gz HJPGLBOGZZAVGR-STQMWFEESA-N 1 3 323.403 2.250 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]CC2CC2)CCCC1 ZINC001421829336 1172022188 /nfs/dbraw/zinc/02/21/88/1172022188.db2.gz CABDVEXONGNRLY-INIZCTEOSA-N 1 3 307.482 2.288 20 0 DEADHO CC1CC(C[NH2+]C[C@H]2C[C@H](NC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001422895513 1172899460 /nfs/dbraw/zinc/89/94/60/1172899460.db2.gz PTKZRERDLBOWBU-QJKUTOJQSA-N 1 3 307.482 2.001 20 0 DEADHO CC[C@H](C)C[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001423007128 1173011890 /nfs/dbraw/zinc/01/18/90/1173011890.db2.gz GTCWAIGCSVNRHE-GOEBONIOSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)NC/C=C\Cl ZINC001423075271 1173059361 /nfs/dbraw/zinc/05/93/61/1173059361.db2.gz FOHJIOKTXXXPLN-JHSOUAKNSA-N 1 3 315.889 2.296 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)NC/C=C\Cl ZINC001423075271 1173059367 /nfs/dbraw/zinc/05/93/67/1173059367.db2.gz FOHJIOKTXXXPLN-JHSOUAKNSA-N 1 3 315.889 2.296 20 0 DEADHO CC(C)(C)CCCN1CC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001423088720 1173067199 /nfs/dbraw/zinc/06/71/99/1173067199.db2.gz DQEMQZPWIZLCFW-IRXDYDNUSA-N 1 3 321.509 2.345 20 0 DEADHO Cc1nc(CCNC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)n[nH]1 ZINC001423107383 1173080209 /nfs/dbraw/zinc/08/02/09/1173080209.db2.gz YPGMHSFZBNVFRF-CJNGLKHVSA-N 1 3 305.470 2.288 20 0 DEADHO Cc1n[nH]c(CCNC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)n1 ZINC001423107383 1173080216 /nfs/dbraw/zinc/08/02/16/1173080216.db2.gz YPGMHSFZBNVFRF-CJNGLKHVSA-N 1 3 305.470 2.288 20 0 DEADHO C[NH+](C)CC1(C(=O)NC[C@@H]2CCN2CC2CC2)CCCCC1 ZINC001423124882 1173095866 /nfs/dbraw/zinc/09/58/66/1173095866.db2.gz WSFQOTMIGKKBKT-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCC1CC1 ZINC001423136105 1173105955 /nfs/dbraw/zinc/10/59/55/1173105955.db2.gz ZYTDJOLZDCCFOA-RDJZCZTQSA-N 1 3 309.498 2.486 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC001423291360 1173208966 /nfs/dbraw/zinc/20/89/66/1173208966.db2.gz CTSOOUVDHYECTL-UHFFFAOYSA-N 1 3 323.868 2.420 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC2CC2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001423464483 1173363646 /nfs/dbraw/zinc/36/36/46/1173363646.db2.gz MBEXFUNOWIAWFF-ZBFHGGJFSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccccc2)C1 ZINC001423642838 1173462396 /nfs/dbraw/zinc/46/23/96/1173462396.db2.gz IKDVHZRZILZHDN-IBGZPJMESA-N 1 3 317.477 2.357 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001423943613 1173585652 /nfs/dbraw/zinc/58/56/52/1173585652.db2.gz CXJMOABNVXYMER-GOEBONIOSA-N 1 3 323.506 2.274 20 0 DEADHO CCC1([NH2+]C/C=C\Cl)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001424375376 1173774314 /nfs/dbraw/zinc/77/43/14/1173774314.db2.gz HAFPFDQVVAQUEF-UTCJRWHESA-N 1 3 310.829 2.066 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CCC(C)(C)C ZINC001424486599 1173806850 /nfs/dbraw/zinc/80/68/50/1173806850.db2.gz TZSLOJMABIFHTH-GOEBONIOSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001424788262 1173930011 /nfs/dbraw/zinc/93/00/11/1173930011.db2.gz FJFDRCQEEHRDID-UONOGXRCSA-N 1 3 321.440 2.293 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001424861169 1173996536 /nfs/dbraw/zinc/99/65/36/1173996536.db2.gz TYGITRUQUBXBLZ-HUUCEWRRSA-N 1 3 323.456 2.479 20 0 DEADHO Cc1cc(CN(C)[C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)c(C)s1 ZINC001425079340 1174168255 /nfs/dbraw/zinc/16/82/55/1174168255.db2.gz SGOHRWHQYLHILY-DOMZBBRYSA-N 1 3 323.506 2.253 20 0 DEADHO Cc1cc(CN(C)[C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)c(C)s1 ZINC001425079340 1174168265 /nfs/dbraw/zinc/16/82/65/1174168265.db2.gz SGOHRWHQYLHILY-DOMZBBRYSA-N 1 3 323.506 2.253 20 0 DEADHO CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001425497492 1174340897 /nfs/dbraw/zinc/34/08/97/1174340897.db2.gz REDRJHHAMSZWTG-RHSMWYFYSA-N 1 3 313.461 2.045 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2C[C@@H](CNC(=O)CN(C)C(C)C)C2)c1 ZINC001436364118 1179063123 /nfs/dbraw/zinc/06/31/23/1179063123.db2.gz ABHDNJWVXQOSFQ-HDICACEKSA-N 1 3 317.477 2.320 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001436935016 1179308527 /nfs/dbraw/zinc/30/85/27/1179308527.db2.gz LVZRUSRPRAKXKQ-JQFCIGGWSA-N 1 3 321.440 2.464 20 0 DEADHO Cc1ccc(CN2CCCC[C@@H]2CNC(=O)CC[NH+](C)C)cc1 ZINC001437044916 1179373416 /nfs/dbraw/zinc/37/34/16/1179373416.db2.gz YYGIGRKLBAPILM-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001437059472 1179380940 /nfs/dbraw/zinc/38/09/40/1179380940.db2.gz AELFCWABZJHGEP-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001437059472 1179380951 /nfs/dbraw/zinc/38/09/51/1179380951.db2.gz AELFCWABZJHGEP-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)NC1CCC([NH2+]Cc2ccns2)CC1 ZINC001437094948 1179399298 /nfs/dbraw/zinc/39/92/98/1179399298.db2.gz ZHDNRUWXLZSUSW-UHFFFAOYSA-N 1 3 324.494 2.002 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCc2cccc(F)c2)CC[N@@H+]1C ZINC001437124800 1179448020 /nfs/dbraw/zinc/44/80/20/1179448020.db2.gz AMUSRRWTLBVYST-XOKHGSTOSA-N 1 3 321.440 2.150 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCc2cccc(F)c2)CC[N@H+]1C ZINC001437124800 1179448030 /nfs/dbraw/zinc/44/80/30/1179448030.db2.gz AMUSRRWTLBVYST-XOKHGSTOSA-N 1 3 321.440 2.150 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001437253459 1179663402 /nfs/dbraw/zinc/66/34/02/1179663402.db2.gz YQWACOSJDUYONB-DYVFJYSZSA-N 1 3 321.440 2.249 20 0 DEADHO CN1CCC[C@H]1C(=O)NCC[N@H+](C)Cc1ccc(C2CC2)cc1 ZINC001437445741 1179807427 /nfs/dbraw/zinc/80/74/27/1179807427.db2.gz BAQUSKZMIIFGIZ-SFHVURJKSA-N 1 3 315.461 2.206 20 0 DEADHO CN1CCC[C@H]1C(=O)NCC[N@@H+](C)Cc1ccc(C2CC2)cc1 ZINC001437445741 1179807431 /nfs/dbraw/zinc/80/74/31/1179807431.db2.gz BAQUSKZMIIFGIZ-SFHVURJKSA-N 1 3 315.461 2.206 20 0 DEADHO Cc1ccccc1[C@H](C)[N@H+](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001437517294 1179832524 /nfs/dbraw/zinc/83/25/24/1179832524.db2.gz OHLVFSQLWMPBES-RDJZCZTQSA-N 1 3 317.477 2.446 20 0 DEADHO Cc1ccccc1[C@H](C)[N@@H+](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001437517294 1179832528 /nfs/dbraw/zinc/83/25/28/1179832528.db2.gz OHLVFSQLWMPBES-RDJZCZTQSA-N 1 3 317.477 2.446 20 0 DEADHO CC[NH2+][C@@H](CNC(=O)C(C)(C)N1CCCC1)c1ccccc1 ZINC001437880412 1180043350 /nfs/dbraw/zinc/04/33/50/1180043350.db2.gz OXHWYWYSCMQHST-INIZCTEOSA-N 1 3 303.450 2.328 20 0 DEADHO CC1CC(C[N@@H+]2CC[C@@H](CCNC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001437922738 1180082299 /nfs/dbraw/zinc/08/22/99/1180082299.db2.gz JKZUKCYCQPIJPN-AQFXKWCLSA-N 1 3 321.509 2.345 20 0 DEADHO CC1CC(C[N@H+]2CC[C@@H](CCNC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001437922738 1180082304 /nfs/dbraw/zinc/08/23/04/1180082304.db2.gz JKZUKCYCQPIJPN-AQFXKWCLSA-N 1 3 321.509 2.345 20 0 DEADHO CCC(CC)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001437978282 1180125444 /nfs/dbraw/zinc/12/54/44/1180125444.db2.gz ONUIXERXYXSFQA-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CCC(CC)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001437978282 1180125457 /nfs/dbraw/zinc/12/54/57/1180125457.db2.gz ONUIXERXYXSFQA-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C(=O)N(CC)[C@H]1CC[N@H+](CC2CC2)C1)N(CC)CC ZINC001438263315 1180301168 /nfs/dbraw/zinc/30/11/68/1180301168.db2.gz GACBWPKXONYFSL-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N(CC)[C@H]1CC[N@@H+](CC2CC2)C1)N(CC)CC ZINC001438263315 1180301180 /nfs/dbraw/zinc/30/11/80/1180301180.db2.gz GACBWPKXONYFSL-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]C[C@@H](C)N(C)C(=O)CN1CCCC1 ZINC001438725766 1180797189 /nfs/dbraw/zinc/79/71/89/1180797189.db2.gz WNBYGKNGJXKATP-OAHLLOKOSA-N 1 3 321.440 2.166 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@H](C)c1cccc(C)c1 ZINC001439172864 1180911874 /nfs/dbraw/zinc/91/18/74/1180911874.db2.gz COBREYKKKIKPCN-HZPDHXFCSA-N 1 3 305.466 2.492 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN[C@H](C)c1ccccc1F ZINC001439263649 1180975469 /nfs/dbraw/zinc/97/54/69/1180975469.db2.gz AKYSWUMYQQFNON-UONOGXRCSA-N 1 3 309.429 2.323 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN[C@H](C)c1ccccc1F ZINC001439263649 1180975480 /nfs/dbraw/zinc/97/54/80/1180975480.db2.gz AKYSWUMYQQFNON-UONOGXRCSA-N 1 3 309.429 2.323 20 0 DEADHO C[C@H](NC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1)c1cccc(F)c1 ZINC001439666892 1181193325 /nfs/dbraw/zinc/19/33/25/1181193325.db2.gz IWWIVSGZJBZOKI-ZFWWWQNUSA-N 1 3 319.424 2.077 20 0 DEADHO C[C@H](NC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1)c1cccc(F)c1 ZINC001439666892 1181193329 /nfs/dbraw/zinc/19/33/29/1181193329.db2.gz IWWIVSGZJBZOKI-ZFWWWQNUSA-N 1 3 319.424 2.077 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@H+](C[C@H](C)CC)C2)C1 ZINC001439716999 1181208623 /nfs/dbraw/zinc/20/86/23/1181208623.db2.gz LRFIHARIBSBDKW-AEFFLSMTSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@@H+](C[C@H](C)CC)C2)C1 ZINC001439716999 1181208627 /nfs/dbraw/zinc/20/86/27/1181208627.db2.gz LRFIHARIBSBDKW-AEFFLSMTSA-N 1 3 309.498 2.299 20 0 DEADHO C[C@@H]([NH2+]CCF)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001440130771 1181362554 /nfs/dbraw/zinc/36/25/54/1181362554.db2.gz XUALUWZBCTWQQQ-RHSMWYFYSA-N 1 3 321.440 2.158 20 0 DEADHO CC[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001440337296 1181453677 /nfs/dbraw/zinc/45/36/77/1181453677.db2.gz TUBAGRZEVFCKRK-VQHPVUNQSA-N 1 3 309.498 2.390 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C/C=C\Cl)C1 ZINC001440363677 1181465645 /nfs/dbraw/zinc/46/56/45/1181465645.db2.gz UGRWOVITTSQJIA-MLRXNPTLSA-N 1 3 313.873 2.098 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)CC[N@@H+]1CCCF ZINC001440647702 1181624618 /nfs/dbraw/zinc/62/46/18/1181624618.db2.gz LIMZBIBUMDKCMN-CABCVRRESA-N 1 3 315.477 2.293 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)CC[N@H+]1CCCF ZINC001440647702 1181624626 /nfs/dbraw/zinc/62/46/26/1181624626.db2.gz LIMZBIBUMDKCMN-CABCVRRESA-N 1 3 315.477 2.293 20 0 DEADHO CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](F)CN(CC)CC ZINC001440718637 1181651821 /nfs/dbraw/zinc/65/18/21/1181651821.db2.gz DQOHKWHSJDCWNI-GVDBMIGSSA-N 1 3 321.440 2.058 20 0 DEADHO C[C@H](F)CC[N@H+](C)C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001440734193 1181662722 /nfs/dbraw/zinc/66/27/22/1181662722.db2.gz PFBXZDAGVXBZAX-HOCLYGCPSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@H](F)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001440734193 1181662724 /nfs/dbraw/zinc/66/27/24/1181662724.db2.gz PFBXZDAGVXBZAX-HOCLYGCPSA-N 1 3 313.461 2.142 20 0 DEADHO Cc1ccccc1C[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)C(C)C ZINC001440863891 1181735856 /nfs/dbraw/zinc/73/58/56/1181735856.db2.gz WQGKNSATZGAPGA-CVEARBPZSA-N 1 3 305.466 2.318 20 0 DEADHO Cc1ccccc1C[N@@H+](C)[C@@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001440969639 1181804757 /nfs/dbraw/zinc/80/47/57/1181804757.db2.gz MKQMRNHWCDEODQ-WBVHZDCISA-N 1 3 317.477 2.273 20 0 DEADHO Cc1ccccc1C[N@H+](C)[C@@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001440969639 1181804758 /nfs/dbraw/zinc/80/47/58/1181804758.db2.gz MKQMRNHWCDEODQ-WBVHZDCISA-N 1 3 317.477 2.273 20 0 DEADHO C[C@@H]([NH2+]CCF)[C@@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001440989678 1181815146 /nfs/dbraw/zinc/81/51/46/1181815146.db2.gz IIPSJGVJTXMGLW-CABCVRRESA-N 1 3 315.477 2.293 20 0 DEADHO Cc1ccc(CN2CC([C@H](C)NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001441176741 1181884076 /nfs/dbraw/zinc/88/40/76/1181884076.db2.gz ILOMKKWENOCPRV-INIZCTEOSA-N 1 3 317.477 2.273 20 0 DEADHO CC[C@@H](F)CN[C@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001441536386 1182047510 /nfs/dbraw/zinc/04/75/10/1182047510.db2.gz ILHHWFQAMLRQEF-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CC1CC(F)(F)C1 ZINC001441918950 1182250113 /nfs/dbraw/zinc/25/01/13/1182250113.db2.gz MRWIPMCZBBJIAK-GFCCVEGCSA-N 1 3 317.424 2.000 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C1CC[NH+](CC[C@H](C)F)CC1)N(C)C ZINC001442209432 1182367974 /nfs/dbraw/zinc/36/79/74/1182367974.db2.gz HBQVHKHJGXTTQY-LZWOXQAQSA-N 1 3 315.477 2.291 20 0 DEADHO C[C@H](F)CC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001442813199 1182723203 /nfs/dbraw/zinc/72/32/03/1182723203.db2.gz MZPCCIXOCGECLZ-LSDHHAIUSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H](F)CC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001442813199 1182723207 /nfs/dbraw/zinc/72/32/07/1182723207.db2.gz MZPCCIXOCGECLZ-LSDHHAIUSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)CC[NH2+][C@@H]2CCc3ccccc32)C1 ZINC001443077571 1182842506 /nfs/dbraw/zinc/84/25/06/1182842506.db2.gz JTWAHNSPQWOPOE-CRAIPNDOSA-N 1 3 315.461 2.064 20 0 DEADHO CN(C)C1(C(=O)NCC[C@@H]2CC[N@H+](C/C=C/Cl)C2)CCC1 ZINC001443258480 1182895670 /nfs/dbraw/zinc/89/56/70/1182895670.db2.gz YKDZQBOCHUZQMW-CEOUIICOSA-N 1 3 313.873 2.051 20 0 DEADHO CN(C)C1(C(=O)NCC[C@@H]2CC[N@@H+](C/C=C/Cl)C2)CCC1 ZINC001443258480 1182895671 /nfs/dbraw/zinc/89/56/71/1182895671.db2.gz YKDZQBOCHUZQMW-CEOUIICOSA-N 1 3 313.873 2.051 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)NCc1cncs1 ZINC001443939052 1183212853 /nfs/dbraw/zinc/21/28/53/1183212853.db2.gz YNUHFHVZRLPJIJ-HIFRSBDPSA-N 1 3 324.494 2.002 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)NCc1cncs1 ZINC001443939052 1183212860 /nfs/dbraw/zinc/21/28/60/1183212860.db2.gz YNUHFHVZRLPJIJ-HIFRSBDPSA-N 1 3 324.494 2.002 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC2(C[NH+](CC3CCCC3)C2)CC1 ZINC001444548746 1183445408 /nfs/dbraw/zinc/44/54/08/1183445408.db2.gz LSKQPEZZXTUKLF-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H](C[NH2+][C@@H]1CCc2ccccc21)N(C)C(=O)CN1CCCC1 ZINC001444718842 1183529662 /nfs/dbraw/zinc/52/96/62/1183529662.db2.gz FPUGRXNBVFYCGX-CRAIPNDOSA-N 1 3 315.461 2.206 20 0 DEADHO C[C@H](C[NH2+]CC1CCC1)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001445436604 1183871775 /nfs/dbraw/zinc/87/17/75/1183871775.db2.gz UUBNSLBONJDYEM-CXAGYDPISA-N 1 3 313.461 2.093 20 0 DEADHO C[C@@H](C[NH2+]C[C@H]1CCC(F)(F)C1)NC(=O)C1(N(C)C)CCC1 ZINC001445558034 1183904793 /nfs/dbraw/zinc/90/47/93/1183904793.db2.gz LUHHTHRSVKZCJP-STQMWFEESA-N 1 3 317.424 2.000 20 0 DEADHO C[C@@H](CN[C@@H](C)c1ccccc1F)NC(=O)C12CC[NH+](CC1)C2 ZINC001445646600 1183954040 /nfs/dbraw/zinc/95/40/40/1183954040.db2.gz KWONFTOLVWZHRE-KBPBESRZSA-N 1 3 319.424 2.077 20 0 DEADHO C[C@@H](CN(C)Cc1ccc(CF)cc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001445870422 1184105712 /nfs/dbraw/zinc/10/57/12/1184105712.db2.gz NBYWJIIRPPRJJT-YOEHRIQHSA-N 1 3 321.440 2.044 20 0 DEADHO C[C@@H](CN(C)Cc1ccc(CF)cc1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001445870422 1184105718 /nfs/dbraw/zinc/10/57/18/1184105718.db2.gz NBYWJIIRPPRJJT-YOEHRIQHSA-N 1 3 321.440 2.044 20 0 DEADHO Cc1ccccc1C[NH2+]C1(CNC(=O)CN(C)C(C)C)CC1 ZINC001446291678 1184297551 /nfs/dbraw/zinc/29/75/51/1184297551.db2.gz CNDGBTVERBLXMN-UHFFFAOYSA-N 1 3 303.450 2.074 20 0 DEADHO CC(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1c[nH]cn1 ZINC001446297769 1184300375 /nfs/dbraw/zinc/30/03/75/1184300375.db2.gz JIDZXZYYWICWRP-ZXFUBFMLSA-N 1 3 318.465 2.500 20 0 DEADHO CC(C)(C(=O)NCC1([NH2+]CCC2CC2)CCC1)N1CCCC1 ZINC001447220096 1184680310 /nfs/dbraw/zinc/68/03/10/1184680310.db2.gz XSMPNVZCNPZIMF-UHFFFAOYSA-N 1 3 307.482 2.289 20 0 DEADHO CN(CC(=O)NCC1([NH2+]C/C=C\Cl)CCC1)CC(C)(C)C ZINC001447237666 1184686632 /nfs/dbraw/zinc/68/66/32/1184686632.db2.gz LYHMOWRPXWPRPM-TWGQIWQCSA-N 1 3 315.889 2.345 20 0 DEADHO CC(C)CC[NH2+]C1(C)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001447546650 1184807317 /nfs/dbraw/zinc/80/73/17/1184807317.db2.gz FTEINYXHYBXJFL-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H]2CC[N@H+](CCC)C2)C1 ZINC001447773832 1184868131 /nfs/dbraw/zinc/86/81/31/1184868131.db2.gz MOGLGDWFRKHYMI-IRXDYDNUSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H]2CC[N@@H+](CCC)C2)C1 ZINC001447773832 1184868134 /nfs/dbraw/zinc/86/81/34/1184868134.db2.gz MOGLGDWFRKHYMI-IRXDYDNUSA-N 1 3 309.498 2.299 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001447873497 1184907466 /nfs/dbraw/zinc/90/74/66/1184907466.db2.gz SVXYKTWGZNAUGF-JKSUJKDBSA-N 1 3 317.477 2.462 20 0 DEADHO CC(C)CC[N@@H+]1CCCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001448486100 1185252149 /nfs/dbraw/zinc/25/21/49/1185252149.db2.gz VWKWCPACLXEPMV-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CC[N@H+]1CCCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001448486100 1185252156 /nfs/dbraw/zinc/25/21/56/1185252156.db2.gz VWKWCPACLXEPMV-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](F)CN1CC[C@@]2(NC(=O)CC[N@H+](C)CC)CCC[C@H]12 ZINC001449013545 1185486846 /nfs/dbraw/zinc/48/68/46/1185486846.db2.gz LTIFFEMHKCTNOQ-ZOBUZTSGSA-N 1 3 313.461 2.190 20 0 DEADHO CC[C@H](F)CN1CC[C@@]2(NC(=O)CC[N@@H+](C)CC)CCC[C@H]12 ZINC001449013545 1185486868 /nfs/dbraw/zinc/48/68/68/1185486868.db2.gz LTIFFEMHKCTNOQ-ZOBUZTSGSA-N 1 3 313.461 2.190 20 0 DEADHO CN(Cc1ccc(N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)nc1)C1CC1 ZINC001164624830 719123702 /nfs/dbraw/zinc/12/37/02/719123702.db2.gz WLEMBOMBERIOOG-GDBMZVCRSA-N 1 3 318.440 2.189 20 0 DEADHO C[C@@H]1CN(C)[C@@H](C)CN1c1cc(OC2CC[NH+](C)CC2)ccn1 ZINC001164631736 719251283 /nfs/dbraw/zinc/25/12/83/719251283.db2.gz FSULFFHHURVWTG-LSDHHAIUSA-N 1 3 318.465 2.083 20 0 DEADHO CN(CC[N@H+](C)CC1CCCCC1)C(=O)CN(C)C1CCC1 ZINC001406107681 1164448404 /nfs/dbraw/zinc/44/84/04/1164448404.db2.gz FKERIHIUFJRIFP-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CN(CC[N@@H+](C)CC1CCCCC1)C(=O)CN(C)C1CCC1 ZINC001406107681 1164448407 /nfs/dbraw/zinc/44/84/07/1164448407.db2.gz FKERIHIUFJRIFP-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)=CCN1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001332197397 1149833337 /nfs/dbraw/zinc/83/33/37/1149833337.db2.gz BJMRZGKUENMCEB-HZPDHXFCSA-N 1 3 307.482 2.264 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CC[NH+](CC[C@H](C)F)CC2 ZINC001407724505 1165272957 /nfs/dbraw/zinc/27/29/57/1165272957.db2.gz XXVOJFVBILJREW-HNNXBMFYSA-N 1 3 313.461 2.001 20 0 DEADHO CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001106665132 782840189 /nfs/dbraw/zinc/84/01/89/782840189.db2.gz IVIIUEWKAFKTGG-IXDOHACOSA-N 1 3 307.482 2.121 20 0 DEADHO CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001106666902 782841455 /nfs/dbraw/zinc/84/14/55/782841455.db2.gz ZBNYGRCLKTTWJC-YSEKLJNJSA-N 1 3 321.509 2.369 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001106669055 782843488 /nfs/dbraw/zinc/84/34/88/782843488.db2.gz VNNSDEWKEIHWRU-BRWVUGGUSA-N 1 3 323.525 2.449 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001106672150 782844617 /nfs/dbraw/zinc/84/46/17/782844617.db2.gz HFMVEJMDIDHGKA-HZPDHXFCSA-N 1 3 311.514 2.304 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CC[N@H+](CCC(C)(C)C)C2 ZINC001072979932 790352848 /nfs/dbraw/zinc/35/28/48/790352848.db2.gz RJFUZGMYTFDSSX-INIZCTEOSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CC[N@@H+](CCC(C)(C)C)C2 ZINC001072979932 790352859 /nfs/dbraw/zinc/35/28/59/790352859.db2.gz RJFUZGMYTFDSSX-INIZCTEOSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001073033624 790406605 /nfs/dbraw/zinc/40/66/05/790406605.db2.gz QDPRDIMAEIMMSD-QGZVFWFLSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001073033624 790406612 /nfs/dbraw/zinc/40/66/12/790406612.db2.gz QDPRDIMAEIMMSD-QGZVFWFLSA-N 1 3 319.493 2.194 20 0 DEADHO CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001112506963 777178161 /nfs/dbraw/zinc/17/81/61/777178161.db2.gz PDLIXNGEKHNXMG-LPHOPBHVSA-N 1 3 321.509 2.489 20 0 DEADHO CC1CC(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)Cc2c[nH]cn2)C1 ZINC001087219599 777367981 /nfs/dbraw/zinc/36/79/81/777367981.db2.gz FPPMDOUFSVMPFV-VXTDNTOSSA-N 1 3 318.465 2.215 20 0 DEADHO CC(C)[NH+]1CCC(NC[C@@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC000724969757 777546568 /nfs/dbraw/zinc/54/65/68/777546568.db2.gz CRNKDIWCJBTZHB-HNNXBMFYSA-N 1 3 311.470 2.458 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[NH2+]CC[C@@H]1CCC[C@H](C)C1 ZINC001149135384 778088446 /nfs/dbraw/zinc/08/84/46/778088446.db2.gz YGWHCXYHHMEVDK-ZFWWWQNUSA-N 1 3 306.454 2.183 20 0 DEADHO Cc1csc2nc(Cl)nc(NC(=N)NCCCC[NH3+])c12 ZINC001167879029 778743198 /nfs/dbraw/zinc/74/31/98/778743198.db2.gz WUWZYZLINMYURF-UHFFFAOYSA-N 1 3 312.830 2.328 20 0 DEADHO CC(C)[N@@H+]1CCC2(CN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001073455233 790665454 /nfs/dbraw/zinc/66/54/54/790665454.db2.gz DCJFTFPVUIHMJA-UHFFFAOYSA-N 1 3 315.461 2.305 20 0 DEADHO CC(C)[N@H+]1CCC2(CN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001073455233 790665460 /nfs/dbraw/zinc/66/54/60/790665460.db2.gz DCJFTFPVUIHMJA-UHFFFAOYSA-N 1 3 315.461 2.305 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCC(C)C)C2 ZINC001073461643 790669333 /nfs/dbraw/zinc/66/93/33/790669333.db2.gz HGAIKBOZFIHGTP-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCC(C)C)C2 ZINC001073461643 790669337 /nfs/dbraw/zinc/66/93/37/790669337.db2.gz HGAIKBOZFIHGTP-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[NH2+][C@H]1CCCCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001088380677 780047192 /nfs/dbraw/zinc/04/71/92/780047192.db2.gz NDPJBNIXTVJDDU-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCF)C1 ZINC001088431467 780119544 /nfs/dbraw/zinc/11/95/44/780119544.db2.gz WPTOFGNAVHRFKA-CVEARBPZSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001101522387 780339078 /nfs/dbraw/zinc/33/90/78/780339078.db2.gz YAZFXEAAMORLCR-MRXNPFEDSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)(C)C(=O)Nc1ccc(CN)nc1NC1(C)CC[NH2+]CC1 ZINC001168183641 780400560 /nfs/dbraw/zinc/40/05/60/780400560.db2.gz KEBILHDDNFPEST-UHFFFAOYSA-N 1 3 319.453 2.079 20 0 DEADHO CCCCC[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102071762 780907879 /nfs/dbraw/zinc/90/78/79/780907879.db2.gz UUKCEYSSEVUKFJ-ZACQAIPSSA-N 1 3 311.514 2.447 20 0 DEADHO CCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102071762 780907885 /nfs/dbraw/zinc/90/78/85/780907885.db2.gz UUKCEYSSEVUKFJ-ZACQAIPSSA-N 1 3 311.514 2.447 20 0 DEADHO Nc1ccc([C@H](CCO)[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC001168364636 781043818 /nfs/dbraw/zinc/04/38/18/781043818.db2.gz GECBTWDMZHUAPU-SFHVURJKSA-N 1 3 303.450 2.156 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCC1CC([NH2+]CCC2CC2)C1 ZINC001091058145 790873498 /nfs/dbraw/zinc/87/34/98/790873498.db2.gz LAJZLFGKWBFGRR-OFLPRAFFSA-N 1 3 307.482 2.145 20 0 DEADHO N[C@H]([C@H]1CCC[N@@H+](C2CCN(CC3CC3)CC2)C1)C(F)(F)F ZINC001168368334 781526395 /nfs/dbraw/zinc/52/63/95/781526395.db2.gz IOTJVSPBNUJGMA-DZGCQCFKSA-N 1 3 319.415 2.462 20 0 DEADHO N[C@H]([C@H]1CCC[N@H+](C2CCN(CC3CC3)CC2)C1)C(F)(F)F ZINC001168368334 781526398 /nfs/dbraw/zinc/52/63/98/781526398.db2.gz IOTJVSPBNUJGMA-DZGCQCFKSA-N 1 3 319.415 2.462 20 0 DEADHO CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001089820756 783480310 /nfs/dbraw/zinc/48/03/10/783480310.db2.gz OOYUBLOTMSIGEJ-YVSFHVDLSA-N 1 3 319.493 2.050 20 0 DEADHO CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001089820756 783480336 /nfs/dbraw/zinc/48/03/36/783480336.db2.gz OOYUBLOTMSIGEJ-YVSFHVDLSA-N 1 3 319.493 2.050 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[C@H]1NCCF ZINC001085225333 783590723 /nfs/dbraw/zinc/59/07/23/783590723.db2.gz RMVNEKVIQNUTIP-ARFHVFGLSA-N 1 3 313.461 2.236 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[C@H]1NCCF ZINC001085225333 783590727 /nfs/dbraw/zinc/59/07/27/783590727.db2.gz RMVNEKVIQNUTIP-ARFHVFGLSA-N 1 3 313.461 2.236 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC(C)C ZINC001085629500 783905831 /nfs/dbraw/zinc/90/58/31/783905831.db2.gz VYGQEAJOMAYOPR-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC(C)C ZINC001085629500 783905840 /nfs/dbraw/zinc/90/58/40/783905840.db2.gz VYGQEAJOMAYOPR-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1CCC(C)C ZINC001085629500 783905847 /nfs/dbraw/zinc/90/58/47/783905847.db2.gz VYGQEAJOMAYOPR-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1CCC(C)C ZINC001085629500 783905855 /nfs/dbraw/zinc/90/58/55/783905855.db2.gz VYGQEAJOMAYOPR-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1CC1CCC1 ZINC001085686786 783964620 /nfs/dbraw/zinc/96/46/20/783964620.db2.gz BOSNSDVXRDUITE-ZWKOTPCHSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1CC1CCC1 ZINC001085686786 783964627 /nfs/dbraw/zinc/96/46/27/783964627.db2.gz BOSNSDVXRDUITE-ZWKOTPCHSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)CCN1CC[C@@H]1CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001085695148 783973275 /nfs/dbraw/zinc/97/32/75/783973275.db2.gz BBOBFVBJFSZFCH-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO CCCN1CC[C@@H]1CN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001085742232 784028093 /nfs/dbraw/zinc/02/80/93/784028093.db2.gz MCEOKUOYZAYHSD-QGZVFWFLSA-N 1 3 317.477 2.347 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000967924387 784177655 /nfs/dbraw/zinc/17/76/55/784177655.db2.gz HBMSWFQETYDWSW-CVEARBPZSA-N 1 3 321.852 2.125 20 0 DEADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)cc1 ZINC000968912786 784647129 /nfs/dbraw/zinc/64/71/29/784647129.db2.gz RSJWHEDCNLNWSY-MSOLQXFVSA-N 1 3 315.461 2.026 20 0 DEADHO CN1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1Cl ZINC001155789158 784713760 /nfs/dbraw/zinc/71/37/60/784713760.db2.gz ABBKAUGBWRCGIG-HNNXBMFYSA-N 1 3 309.841 2.030 20 0 DEADHO C[C@@H]1C[C@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168851745 784938615 /nfs/dbraw/zinc/93/86/15/784938615.db2.gz AHQJGTLJGAJCQJ-WCVJEAGWSA-N 1 3 323.481 2.268 20 0 DEADHO C[C@@H]1C[C@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168851745 784938618 /nfs/dbraw/zinc/93/86/18/784938618.db2.gz AHQJGTLJGAJCQJ-WCVJEAGWSA-N 1 3 323.481 2.268 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@H]1CCN1C(=O)OC(C)(C)C)C2 ZINC001169089253 785039470 /nfs/dbraw/zinc/03/94/70/785039470.db2.gz AEDYDWQXCWIYJU-LXTVHRRPSA-N 1 3 309.454 2.211 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@H]1CCN1C(=O)OC(C)(C)C)C2 ZINC001169089253 785039472 /nfs/dbraw/zinc/03/94/72/785039472.db2.gz AEDYDWQXCWIYJU-LXTVHRRPSA-N 1 3 309.454 2.211 20 0 DEADHO C[C@@H]1C[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3C)CC[C@]1(O)C(F)(F)F ZINC001169124892 785046746 /nfs/dbraw/zinc/04/67/46/785046746.db2.gz GIFAJZASRIZLRR-PEBLQZBPSA-N 1 3 306.372 2.247 20 0 DEADHO C[C@@H]1C[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3C)CC[C@]1(O)C(F)(F)F ZINC001169124892 785046755 /nfs/dbraw/zinc/04/67/55/785046755.db2.gz GIFAJZASRIZLRR-PEBLQZBPSA-N 1 3 306.372 2.247 20 0 DEADHO CC(C)=CCN1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001008296912 785165570 /nfs/dbraw/zinc/16/55/70/785165570.db2.gz AICWKUOLVJBIRI-YESZJQIVSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)=CCN1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001008296912 785165575 /nfs/dbraw/zinc/16/55/75/785165575.db2.gz AICWKUOLVJBIRI-YESZJQIVSA-N 1 3 307.482 2.264 20 0 DEADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCCN(CC3=CCCCC3)C2)C1 ZINC001009199285 785405790 /nfs/dbraw/zinc/40/57/90/785405790.db2.gz DRMUILIBAHCCHC-MSOLQXFVSA-N 1 3 319.493 2.409 20 0 DEADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCCN(CC3=CCCCC3)C2)C1 ZINC001009199285 785405799 /nfs/dbraw/zinc/40/57/99/785405799.db2.gz DRMUILIBAHCCHC-MSOLQXFVSA-N 1 3 319.493 2.409 20 0 DEADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCN(CC3=CCCCC3)C2)C1 ZINC001009199287 785406347 /nfs/dbraw/zinc/40/63/47/785406347.db2.gz DRMUILIBAHCCHC-QZTJIDSGSA-N 1 3 319.493 2.409 20 0 DEADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCN(CC3=CCCCC3)C2)C1 ZINC001009199287 785406354 /nfs/dbraw/zinc/40/63/54/785406354.db2.gz DRMUILIBAHCCHC-QZTJIDSGSA-N 1 3 319.493 2.409 20 0 DEADHO Cc1ccccc1CN1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009506592 785468797 /nfs/dbraw/zinc/46/87/97/785468797.db2.gz DMILKPCGNDNPST-MSOLQXFVSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccccc1CN1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001009506592 785468800 /nfs/dbraw/zinc/46/88/00/785468800.db2.gz DMILKPCGNDNPST-MSOLQXFVSA-N 1 3 315.461 2.027 20 0 DEADHO CCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C(C)C)C2 ZINC001108830012 785558284 /nfs/dbraw/zinc/55/82/84/785558284.db2.gz BUSFRBQIFJFNJT-BBWFWOEESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[NH2+]C1CC(CNC(=O)c2ccccc2CN(C)C)C1 ZINC001091378644 791129380 /nfs/dbraw/zinc/12/93/80/791129380.db2.gz RCVYOLUPEAMIQD-UHFFFAOYSA-N 1 3 303.450 2.255 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CC1)N(C)C ZINC001109427239 785868433 /nfs/dbraw/zinc/86/84/33/785868433.db2.gz VLZUGRSWBCMRRY-QZWWFDLISA-N 1 3 307.482 2.094 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1)N(C)C ZINC001109427239 785868442 /nfs/dbraw/zinc/86/84/42/785868442.db2.gz VLZUGRSWBCMRRY-QZWWFDLISA-N 1 3 307.482 2.094 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001014412096 786575773 /nfs/dbraw/zinc/57/57/73/786575773.db2.gz GBGQZRVCXOTYKI-HOTGVXAUSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001014412096 786575802 /nfs/dbraw/zinc/57/58/02/786575802.db2.gz GBGQZRVCXOTYKI-HOTGVXAUSA-N 1 3 309.498 2.486 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001014631046 786668326 /nfs/dbraw/zinc/66/83/26/786668326.db2.gz ODAXBFNLJJOELV-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001014631046 786668331 /nfs/dbraw/zinc/66/83/31/786668331.db2.gz ODAXBFNLJJOELV-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001015695002 787189067 /nfs/dbraw/zinc/18/90/67/787189067.db2.gz DPVZJXJFTZTVGM-WMLDXEAASA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001015695002 787189070 /nfs/dbraw/zinc/18/90/70/787189070.db2.gz DPVZJXJFTZTVGM-WMLDXEAASA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)c1ccc(C[NH2+]CCNC(=O)[C@@H](C2CC2)N(C)C)cc1 ZINC001129436808 787213451 /nfs/dbraw/zinc/21/34/51/787213451.db2.gz SXSXZZVWZJOWOU-GOSISDBHSA-N 1 3 317.477 2.356 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[NH2+]CC1CCC2(CC2)CC1)N(C)C ZINC001129949354 787262705 /nfs/dbraw/zinc/26/27/05/787262705.db2.gz BRHUXZOVUJLYQE-INIZCTEOSA-N 1 3 309.498 2.249 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001129947434 787264609 /nfs/dbraw/zinc/26/46/09/787264609.db2.gz ZRNVLERAKAPEKV-HNNXBMFYSA-N 1 3 311.857 2.132 20 0 DEADHO C[C@H](Nc1cccc(N2CCCC[C@H]2C)n1)[C@H]1C[NH2+]CCO1 ZINC001170570353 787650589 /nfs/dbraw/zinc/65/05/89/787650589.db2.gz MYLDTEUONKFDAW-QLFBSQMISA-N 1 3 304.438 2.249 20 0 DEADHO CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001097218850 788025911 /nfs/dbraw/zinc/02/59/11/788025911.db2.gz LIJXYDQWVAIRES-NCOADZHNSA-N 1 3 305.466 2.135 20 0 DEADHO CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001097218850 788025921 /nfs/dbraw/zinc/02/59/21/788025921.db2.gz LIJXYDQWVAIRES-NCOADZHNSA-N 1 3 305.466 2.135 20 0 DEADHO CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1C ZINC001133120799 788286854 /nfs/dbraw/zinc/28/68/54/788286854.db2.gz BEWAOYXCHZADMD-JKSUJKDBSA-N 1 3 311.514 2.449 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCC(C)C)C1 ZINC001133255996 788341684 /nfs/dbraw/zinc/34/16/84/788341684.db2.gz YXSUWTFGJCPSMH-IRXDYDNUSA-N 1 3 311.514 2.449 20 0 DEADHO CC(C)[C@H](C(=O)NCC[NH2+][C@@H](C)c1ccc(F)cc1)N(C)C ZINC001133434436 788428740 /nfs/dbraw/zinc/42/87/40/788428740.db2.gz QMDWWHYKLFMNGZ-XJKSGUPXSA-N 1 3 309.429 2.179 20 0 DEADHO Cc1cc(Cl)ccc1C[NH2+]CCNC(=O)CN1CCC[C@H]1C ZINC001133833950 788627331 /nfs/dbraw/zinc/62/73/31/788627331.db2.gz KMYWDRXBDXBEKX-CQSZACIVSA-N 1 3 323.868 2.339 20 0 DEADHO Cc1ccccc1CCC[NH2+]CCNC(=O)CN1CCC[C@@H]1C ZINC001133833983 788627508 /nfs/dbraw/zinc/62/75/08/788627508.db2.gz LDTYZHOEGVYAFI-KRWDZBQOSA-N 1 3 317.477 2.118 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]CC/C=C/c2ccccc2)C1 ZINC001133845866 788638720 /nfs/dbraw/zinc/63/87/20/788638720.db2.gz OYWDHTDIGGWMBV-HFTQHKIXSA-N 1 3 315.461 2.138 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+][C@@H](C)c1cc(C)ccc1C)N(C)C ZINC001133965645 788694852 /nfs/dbraw/zinc/69/48/52/788694852.db2.gz CSEYLCRKFHWAMG-RDJZCZTQSA-N 1 3 305.466 2.410 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+]CC/C=C\c1ccccc1)N(C)C ZINC001133965809 788696924 /nfs/dbraw/zinc/69/69/24/788696924.db2.gz KPSXOPHSJMPAFZ-UEOUDEGLSA-N 1 3 303.450 2.136 20 0 DEADHO C[C@H](C[C@H](C)[NH2+]CCCF)NC(=O)C(C)(C)N1CCCCC1 ZINC001134369917 788900316 /nfs/dbraw/zinc/90/03/16/788900316.db2.gz UTWGNONKJHWOAZ-LSDHHAIUSA-N 1 3 315.477 2.483 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+]CC/C=C/c1ccccc1 ZINC001135511200 789381066 /nfs/dbraw/zinc/38/10/66/789381066.db2.gz LSSCSPQQHPVMPJ-XYOKQWHBSA-N 1 3 303.450 2.138 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCc1ccccc1 ZINC001135706493 789461292 /nfs/dbraw/zinc/46/12/92/789461292.db2.gz VMVGPVHOIRLZTL-IRXDYDNUSA-N 1 3 319.493 2.444 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cnccc1C ZINC001135743299 789475745 /nfs/dbraw/zinc/47/57/45/789475745.db2.gz IDMLXJFAYZIGQT-CVEARBPZSA-N 1 3 320.481 2.105 20 0 DEADHO Cc1cc(CN[C@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C)on1 ZINC001135960868 789580432 /nfs/dbraw/zinc/58/04/32/789580432.db2.gz IUMTXMSNNFCVEL-KGLIPLIRSA-N 1 3 324.469 2.088 20 0 DEADHO Cc1ncoc1CN[C@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001135974936 789585548 /nfs/dbraw/zinc/58/55/48/789585548.db2.gz YBOKWMUAUMTWMG-KGLIPLIRSA-N 1 3 324.469 2.088 20 0 DEADHO Cc1ncoc1CN[C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001135974937 789586225 /nfs/dbraw/zinc/58/62/25/789586225.db2.gz YBOKWMUAUMTWMG-UONOGXRCSA-N 1 3 324.469 2.088 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1cnc(C)o1 ZINC001135995287 789589832 /nfs/dbraw/zinc/58/98/32/789589832.db2.gz CIILEXTWVSRTAK-KGLIPLIRSA-N 1 3 324.469 2.088 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1cnc(C)o1 ZINC001135995287 789589836 /nfs/dbraw/zinc/58/98/36/789589836.db2.gz CIILEXTWVSRTAK-KGLIPLIRSA-N 1 3 324.469 2.088 20 0 DEADHO CCOC(=O)c1cc2cc(N[C@H](N)CCC[NH3+])ccc2nc1C ZINC001170905689 789647649 /nfs/dbraw/zinc/64/76/49/789647649.db2.gz UZZQABIJAQMNFT-INIZCTEOSA-N 1 3 316.405 2.156 20 0 DEADHO CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000398099068 790246659 /nfs/dbraw/zinc/24/66/59/790246659.db2.gz YJWAYEUBFNJMLG-USXIJHARSA-N 1 3 303.450 2.139 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CC3=CCCCC3)[C@@H]2C)C1 ZINC001074878290 791364201 /nfs/dbraw/zinc/36/42/01/791364201.db2.gz LDZMWGASCUPOAS-RYRKJORJSA-N 1 3 319.493 2.408 20 0 DEADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCNCc2cccc(F)c2)C1 ZINC001147822815 791632165 /nfs/dbraw/zinc/63/21/65/791632165.db2.gz AYLUCGUKPQCHBB-RDJZCZTQSA-N 1 3 321.440 2.152 20 0 DEADHO CC(C)[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC001086907948 791846252 /nfs/dbraw/zinc/84/62/52/791846252.db2.gz JBXBCVKQWVPBIA-JKSUJKDBSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CC2)C1)N(C)C ZINC001099491587 792222331 /nfs/dbraw/zinc/22/23/31/792222331.db2.gz UEFLFMLZVQMBHL-SCTDSRPQSA-N 1 3 321.509 2.201 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C(C)C)C1 ZINC001099540344 792234663 /nfs/dbraw/zinc/23/46/63/792234663.db2.gz ZPLKQKMLHULREO-LNLFQRSKSA-N 1 3 321.509 2.488 20 0 DEADHO CCCCCC[NH2+]C1CC(CNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001100408240 792634030 /nfs/dbraw/zinc/63/40/30/792634030.db2.gz ZOQDUBHRAUZQII-PREGVCBESA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@H](C(=O)NCC1CC([NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001100443484 792656075 /nfs/dbraw/zinc/65/60/75/792656075.db2.gz JHQXHQSRGBFXJX-BDVYOWHSSA-N 1 3 321.509 2.391 20 0 DEADHO CCC[NH2+]C1CC(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001100679958 792784293 /nfs/dbraw/zinc/78/42/93/792784293.db2.gz XKFXZZRHPMDFRS-KVULBXGLSA-N 1 3 313.461 2.093 20 0 DEADHO CC[C@@H](C(=O)NCC1CC([NH2+]CC2CCCCC2)C1)N(C)C ZINC001100685391 792788309 /nfs/dbraw/zinc/78/83/09/792788309.db2.gz FFFRIISRMLMTNB-JCYILVPMSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H](C(=O)NCC1CC([NH2+]CC2CC2)C1)N1CCCCCC1 ZINC001100732028 792818440 /nfs/dbraw/zinc/81/84/40/792818440.db2.gz QISQEIUBOIIHHL-ODIFPOPNSA-N 1 3 307.482 2.145 20 0 DEADHO CC[C@@H](C)C[N@@H+]1C[C@@H]2CN(C(=O)CN(CC)CC)C[C@]2(C)C1 ZINC001101400023 793142970 /nfs/dbraw/zinc/14/29/70/793142970.db2.gz CRGXKEZACYERDK-NUJGCVRESA-N 1 3 309.498 2.155 20 0 DEADHO CC[C@@H](C)C[N@H+]1C[C@@H]2CN(C(=O)CN(CC)CC)C[C@]2(C)C1 ZINC001101400023 793142977 /nfs/dbraw/zinc/14/29/77/793142977.db2.gz CRGXKEZACYERDK-NUJGCVRESA-N 1 3 309.498 2.155 20 0 DEADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](CC=C(C)C)C[C@@]2(C)C1 ZINC001101400381 793144781 /nfs/dbraw/zinc/14/47/81/793144781.db2.gz UFRYEPRNXTYLKD-AEFFLSMTSA-N 1 3 307.482 2.075 20 0 DEADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](CC=C(C)C)C[C@@]2(C)C1 ZINC001101400381 793144784 /nfs/dbraw/zinc/14/47/84/793144784.db2.gz UFRYEPRNXTYLKD-AEFFLSMTSA-N 1 3 307.482 2.075 20 0 DEADHO CN1C(C)(C)CC([NH2+][C@@H]2CCN(c3ncccn3)C2)CC1(C)C ZINC001171613956 793149993 /nfs/dbraw/zinc/14/99/93/793149993.db2.gz RZILWVOYXUHGHY-CQSZACIVSA-N 1 3 317.481 2.296 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+][C@@H](C)c1ccccc1F ZINC001171769653 793200204 /nfs/dbraw/zinc/20/02/04/793200204.db2.gz CAELRUCUTHKYFM-AWEZNQCLSA-N 1 3 309.429 2.324 20 0 DEADHO CN1C(C)(C)CC([NH2+][C@@H]2CCN(C3CC3)C(=O)C2)CC1(C)C ZINC001172009582 793280715 /nfs/dbraw/zinc/28/07/15/793280715.db2.gz QCUIQVVFTLSKNG-CYBMUJFWSA-N 1 3 307.482 2.381 20 0 DEADHO C[NH+]1C(C)(C)CC(N[C@@H]2CCN(C3CC3)C(=O)C2)CC1(C)C ZINC001172009582 793280706 /nfs/dbraw/zinc/28/07/06/793280706.db2.gz QCUIQVVFTLSKNG-CYBMUJFWSA-N 1 3 307.482 2.381 20 0 DEADHO CNC(=O)CCN[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977359 793286922 /nfs/dbraw/zinc/28/69/22/793286922.db2.gz AYBJJEACRNQGQJ-INIZCTEOSA-N 1 3 303.450 2.155 20 0 DEADHO CNC(=O)CCN[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977359 793286931 /nfs/dbraw/zinc/28/69/31/793286931.db2.gz AYBJJEACRNQGQJ-INIZCTEOSA-N 1 3 303.450 2.155 20 0 DEADHO O=C1C[C@@H]([N@@H+]2CCCC[C@@H]2CCN2CCCC2)CCN1C1CC1 ZINC001172023856 793292970 /nfs/dbraw/zinc/29/29/70/793292970.db2.gz YKLTZFYLTFLBJG-AEFFLSMTSA-N 1 3 319.493 2.480 20 0 DEADHO O=C1C[C@@H]([N@H+]2CCCC[C@@H]2CCN2CCCC2)CCN1C1CC1 ZINC001172023856 793292973 /nfs/dbraw/zinc/29/29/73/793292973.db2.gz YKLTZFYLTFLBJG-AEFFLSMTSA-N 1 3 319.493 2.480 20 0 DEADHO CC[C@@](N)(CO)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172077652 793312221 /nfs/dbraw/zinc/31/22/21/793312221.db2.gz UVRNJNTZGGSHTB-RDGPPVDQSA-N 1 3 317.477 2.219 20 0 DEADHO CC[C@@](N)(CO)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077652 793312226 /nfs/dbraw/zinc/31/22/26/793312226.db2.gz UVRNJNTZGGSHTB-RDGPPVDQSA-N 1 3 317.477 2.219 20 0 DEADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(-n3cccn3)nc1)C2 ZINC001172115827 793338628 /nfs/dbraw/zinc/33/86/28/793338628.db2.gz FPRHVUGDFIMEGW-OSYLJGHBSA-N 1 3 311.433 2.372 20 0 DEADHO COCCCN1CCC([NH2+][C@H](C)CN2CCC(C)CC2)CC1 ZINC001172247217 793387385 /nfs/dbraw/zinc/38/73/85/793387385.db2.gz KDDNXHPBNOPFIC-QGZVFWFLSA-N 1 3 311.514 2.197 20 0 DEADHO COCCCN1CCC([N@@H+]2CCc3cc(O)ccc3C2)CC1 ZINC001172251311 793389012 /nfs/dbraw/zinc/38/90/12/793389012.db2.gz ONFUBDNPNDBHEE-UHFFFAOYSA-N 1 3 304.434 2.251 20 0 DEADHO COCCCN1CCC([N@H+]2CCc3cc(O)ccc3C2)CC1 ZINC001172251311 793389017 /nfs/dbraw/zinc/38/90/17/793389017.db2.gz ONFUBDNPNDBHEE-UHFFFAOYSA-N 1 3 304.434 2.251 20 0 DEADHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172665230 793473605 /nfs/dbraw/zinc/47/36/05/793473605.db2.gz WTDXRPBCASXWBG-ZWKOTPCHSA-N 1 3 315.461 2.252 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCN[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172665230 793473606 /nfs/dbraw/zinc/47/36/06/793473606.db2.gz WTDXRPBCASXWBG-ZWKOTPCHSA-N 1 3 315.461 2.252 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCN[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172665230 793473607 /nfs/dbraw/zinc/47/36/07/793473607.db2.gz WTDXRPBCASXWBG-ZWKOTPCHSA-N 1 3 315.461 2.252 20 0 DEADHO C[C@@H]1C[N@H+](CC2CCC2)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102377213 793595689 /nfs/dbraw/zinc/59/56/89/793595689.db2.gz UTORXTJAOHRLRS-NVXWUHKLSA-N 1 3 323.525 2.449 20 0 DEADHO C[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102377213 793595697 /nfs/dbraw/zinc/59/56/97/793595697.db2.gz UTORXTJAOHRLRS-NVXWUHKLSA-N 1 3 323.525 2.449 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)[C@H](C)C1 ZINC001102377696 793596052 /nfs/dbraw/zinc/59/60/52/793596052.db2.gz CZCBVYJZWAZIHV-QOOKESJHSA-N 1 3 309.498 2.367 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)[C@H](C)C1 ZINC001102377696 793596059 /nfs/dbraw/zinc/59/60/59/793596059.db2.gz CZCBVYJZWAZIHV-QOOKESJHSA-N 1 3 309.498 2.367 20 0 DEADHO CC(C)=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001103088025 793935865 /nfs/dbraw/zinc/93/58/65/793935865.db2.gz UAUYICKTVJNZFQ-KBAYOESNSA-N 1 3 321.509 2.367 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001103088025 793935870 /nfs/dbraw/zinc/93/58/70/793935870.db2.gz UAUYICKTVJNZFQ-KBAYOESNSA-N 1 3 321.509 2.367 20 0 DEADHO CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001103439821 794094923 /nfs/dbraw/zinc/09/49/23/794094923.db2.gz WTTFPMZHCIZYIN-HZPDHXFCSA-N 1 3 311.514 2.449 20 0 DEADHO CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001103439821 794094932 /nfs/dbraw/zinc/09/49/32/794094932.db2.gz WTTFPMZHCIZYIN-HZPDHXFCSA-N 1 3 311.514 2.449 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCCCOC)N(C)C ZINC001175302404 794175812 /nfs/dbraw/zinc/17/58/12/794175812.db2.gz AKMMRWDNRMZHLY-HOTGVXAUSA-N 1 3 315.502 2.018 20 0 DEADHO CCOCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](CC)N(C)C ZINC001175307805 794178726 /nfs/dbraw/zinc/17/87/26/794178726.db2.gz YMFDCAFCIKWJSH-CVEARBPZSA-N 1 3 315.502 2.018 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]CC[C@H](C)F ZINC001176284459 794389411 /nfs/dbraw/zinc/38/94/11/794389411.db2.gz IAHSIEFDGUCHIG-GJZGRUSLSA-N 1 3 303.466 2.341 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CCCC[NH2+]CC1CCC1 ZINC001176350921 794411061 /nfs/dbraw/zinc/41/10/61/794411061.db2.gz NEJLEXSUUAXXFO-CYBMUJFWSA-N 1 3 306.454 2.325 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CCCC[NH2+]CC[C@@H](C)F ZINC001176352019 794413206 /nfs/dbraw/zinc/41/32/06/794413206.db2.gz YTQBKJCRBJCESC-CHWSQXEVSA-N 1 3 312.433 2.273 20 0 DEADHO CC[C@@H](C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C(C)C)OC ZINC001176753330 794498077 /nfs/dbraw/zinc/49/80/77/794498077.db2.gz GKFNXOFZKMZBMQ-CVEARBPZSA-N 1 3 315.502 2.016 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCF ZINC001176760520 794498511 /nfs/dbraw/zinc/49/85/11/794498511.db2.gz ZSZWIADMYXSUGJ-GJZGRUSLSA-N 1 3 301.450 2.095 20 0 DEADHO COCCCC[NH2+]CCCC[C@H](C)NC(=O)CN(C)C(C)C ZINC001176760293 794499511 /nfs/dbraw/zinc/49/95/11/794499511.db2.gz UBEUBQDITQOMSG-INIZCTEOSA-N 1 3 315.502 2.018 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001176975877 794545422 /nfs/dbraw/zinc/54/54/22/794545422.db2.gz YTZNCHWIXBKDMD-GFCCVEGCSA-N 1 3 324.296 2.006 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1cccc(C)c1 ZINC001176986910 794548922 /nfs/dbraw/zinc/54/89/22/794548922.db2.gz YGVVTKBHCWBUPJ-GOSISDBHSA-N 1 3 317.477 2.465 20 0 DEADHO CCCC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C(F)(F)F ZINC001112198153 794570517 /nfs/dbraw/zinc/57/05/17/794570517.db2.gz DCQKFJIXOCINID-CHWSQXEVSA-N 1 3 323.403 2.107 20 0 DEADHO CC[NH2+]CCCN(CC1CCCC1)C(=O)CN1CC[C@H](C)C1 ZINC001177415553 794666061 /nfs/dbraw/zinc/66/60/61/794666061.db2.gz CCBGVSRNUOGOKF-INIZCTEOSA-N 1 3 309.498 2.347 20 0 DEADHO CN1CCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1ccns1 ZINC001178045684 794805535 /nfs/dbraw/zinc/80/55/35/794805535.db2.gz RWVHNNFNOIXERB-HNNXBMFYSA-N 1 3 324.494 2.004 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCCCCC[NH2+]CCCOC ZINC001178853960 795012960 /nfs/dbraw/zinc/01/29/60/795012960.db2.gz QVRGOFBJNVWSPX-UHFFFAOYSA-N 1 3 315.502 2.019 20 0 DEADHO CC[C@H](F)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC001179779221 795170007 /nfs/dbraw/zinc/17/00/07/795170007.db2.gz FYKDHVIQJMGMHT-JYJNAYRXSA-N 1 3 313.461 2.045 20 0 DEADHO COc1cnc(F)c(CNC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001179789575 795176190 /nfs/dbraw/zinc/17/61/90/795176190.db2.gz SUHMIHCDDWOTSM-UHFFFAOYSA-N 1 3 316.380 2.383 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CC2)C1)N(C)C ZINC001181801378 795542595 /nfs/dbraw/zinc/54/25/95/795542595.db2.gz YQZPFNHNILMMRO-UWWQBHOKSA-N 1 3 309.498 2.057 20 0 DEADHO CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001121246125 795607519 /nfs/dbraw/zinc/60/75/19/795607519.db2.gz MACQDOCCCCFPKK-UFWSXWLSSA-N 1 3 321.509 2.390 20 0 DEADHO Cc1ccc(CN(C)C)cc1NC(=O)CCSCCC[NH3+] ZINC001121927049 795705285 /nfs/dbraw/zinc/70/52/85/795705285.db2.gz UPXHGNBRBDUOHC-UHFFFAOYSA-N 1 3 309.479 2.467 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C/C=C/Cl)C1 ZINC001183239457 795834565 /nfs/dbraw/zinc/83/45/65/795834565.db2.gz FFPACEAZQYTNSA-XMAAMQLLSA-N 1 3 315.889 2.155 20 0 DEADHO C[NH+](C)[C@H]1C[C@@H](C(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC001183371071 795867480 /nfs/dbraw/zinc/86/74/80/795867480.db2.gz CSFNBGMUZMSWQM-CALCHBBNSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1C[NH2+]CCC1CC1 ZINC001184557453 796083435 /nfs/dbraw/zinc/08/34/35/796083435.db2.gz XQHRWSIVRBPZQO-RDJZCZTQSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)CCC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001185206457 796212674 /nfs/dbraw/zinc/21/26/74/796212674.db2.gz UIQKKCMXPOXKFE-JKSUJKDBSA-N 1 3 320.481 2.463 20 0 DEADHO COc1ccc(CN2CCC3(C2)CC[NH+](C)CC3)nc1OC ZINC001139105617 796324892 /nfs/dbraw/zinc/32/48/92/796324892.db2.gz WJPIDPRXDUWQCR-UHFFFAOYSA-N 1 3 305.422 2.017 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CCCc2ccsc2)C1 ZINC001186488663 796408256 /nfs/dbraw/zinc/40/82/56/796408256.db2.gz QYFBLSXRIONYGL-MRXNPFEDSA-N 1 3 323.506 2.213 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@@H](C)c2ccccc2F)C1 ZINC001186817321 796448232 /nfs/dbraw/zinc/44/82/32/796448232.db2.gz PULBZSNUQRGSPO-LSDHHAIUSA-N 1 3 321.440 2.419 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@@H](C)c2ccccc2F)C1 ZINC001186817321 796448235 /nfs/dbraw/zinc/44/82/35/796448235.db2.gz PULBZSNUQRGSPO-LSDHHAIUSA-N 1 3 321.440 2.419 20 0 DEADHO CN(C)C(=O)CN1CCC2(CC[C@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001203008896 796488382 /nfs/dbraw/zinc/48/83/82/796488382.db2.gz NMMLGRGWRWPVJN-MRXNPFEDSA-N 1 3 319.449 2.044 20 0 DEADHO CN(C)C(=O)CN1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001203008896 796488384 /nfs/dbraw/zinc/48/83/84/796488384.db2.gz NMMLGRGWRWPVJN-MRXNPFEDSA-N 1 3 319.449 2.044 20 0 DEADHO C[C@@H](F)CC[NH2+]C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001203042426 796530192 /nfs/dbraw/zinc/53/01/92/796530192.db2.gz WPJVDGPPKYYSLB-OAHLLOKOSA-N 1 3 313.461 2.047 20 0 DEADHO Cc1cc(F)ccc1CN1CC[C@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001140780380 796571956 /nfs/dbraw/zinc/57/19/56/796571956.db2.gz YMACYZDIXLYSGE-ZWKOTPCHSA-N 1 3 305.441 2.344 20 0 DEADHO Cc1cc(F)ccc1CN1CC[C@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001140780380 796571959 /nfs/dbraw/zinc/57/19/59/796571959.db2.gz YMACYZDIXLYSGE-ZWKOTPCHSA-N 1 3 305.441 2.344 20 0 DEADHO CCCC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001188086244 796625764 /nfs/dbraw/zinc/62/57/64/796625764.db2.gz ZKLIDAYSIPRVIZ-QGZVFWFLSA-N 1 3 303.450 2.352 20 0 DEADHO CCc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188145146 796632477 /nfs/dbraw/zinc/63/24/77/796632477.db2.gz DVNCBBMGBSDDCO-GOSISDBHSA-N 1 3 317.477 2.280 20 0 DEADHO CC(C)N(C)CC(=O)N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001142590119 796753288 /nfs/dbraw/zinc/75/32/88/796753288.db2.gz GOFZAHZIIDKONV-UHFFFAOYSA-N 1 3 307.482 2.083 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001152457755 797190652 /nfs/dbraw/zinc/19/06/52/797190652.db2.gz HRNPUCCZGPFPNR-KGLIPLIRSA-N 1 3 317.424 2.002 20 0 DEADHO O=C(CCCC[NH+]1CCCC1)NCCNCc1ccc(F)cc1 ZINC001153308655 797319391 /nfs/dbraw/zinc/31/93/91/797319391.db2.gz BDJJMZWRKYXMQX-UHFFFAOYSA-N 1 3 321.440 2.298 20 0 DEADHO C[N@H+](CCCC(C)(C)C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192551199 797405202 /nfs/dbraw/zinc/40/52/02/797405202.db2.gz OUVKWWMMONAAMV-HNNXBMFYSA-N 1 3 306.454 2.311 20 0 DEADHO C[N@@H+](CCCC(C)(C)C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192551199 797405204 /nfs/dbraw/zinc/40/52/04/797405204.db2.gz OUVKWWMMONAAMV-HNNXBMFYSA-N 1 3 306.454 2.311 20 0 DEADHO CC[N@H+](CCC1CC1)[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001154580565 797566078 /nfs/dbraw/zinc/56/60/78/797566078.db2.gz XIUZLIUEPJBNKO-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@@H+](CCC1CC1)[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001154580565 797566082 /nfs/dbraw/zinc/56/60/82/797566082.db2.gz XIUZLIUEPJBNKO-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C)cc2)C1 ZINC001193621913 797594666 /nfs/dbraw/zinc/59/46/66/797594666.db2.gz JYPZZJADTGBNBT-SFHVURJKSA-N 1 3 317.477 2.370 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2)C1 ZINC001193621913 797594670 /nfs/dbraw/zinc/59/46/70/797594670.db2.gz JYPZZJADTGBNBT-SFHVURJKSA-N 1 3 317.477 2.370 20 0 DEADHO Cc1ncc(CNc2cccc(N3CCC([NH3+])CC3)n2)s1 ZINC001154795198 797611916 /nfs/dbraw/zinc/61/19/16/797611916.db2.gz QSUUYDJDJUNRFV-UHFFFAOYSA-N 1 3 303.435 2.386 20 0 DEADHO CC[N@H+](CC1CCCC1)[C@H](C)CNC(=O)CN1CCC[C@H]1C ZINC001155227140 797712554 /nfs/dbraw/zinc/71/25/54/797712554.db2.gz VNTXUXOFUJYJJW-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)CN1CCC[C@H]1C ZINC001155227140 797712558 /nfs/dbraw/zinc/71/25/58/797712558.db2.gz VNTXUXOFUJYJJW-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO c1cc(N2CCCC2)cc(N[C@H]2CCCC[C@@]23CNCCO3)[nH+]1 ZINC001155826419 797858552 /nfs/dbraw/zinc/85/85/52/797858552.db2.gz KDAMDTPTHFDPLD-FUHWJXTLSA-N 1 3 316.449 2.395 20 0 DEADHO NCc1cc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ncn1 ZINC001156319068 797973449 /nfs/dbraw/zinc/97/34/49/797973449.db2.gz UXHUSYZYTXPJTC-RYQLBKOJSA-N 1 3 323.444 2.258 20 0 DEADHO NCc1cc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ncn1 ZINC001156319068 797973454 /nfs/dbraw/zinc/97/34/54/797973454.db2.gz UXHUSYZYTXPJTC-RYQLBKOJSA-N 1 3 323.444 2.258 20 0 DEADHO CC[N@H+](CC1CC(C)C1)[C@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001156617251 798043359 /nfs/dbraw/zinc/04/33/59/798043359.db2.gz AMFUFAGETORHBP-JVWICGRDSA-N 1 3 306.454 2.133 20 0 DEADHO CC[N@@H+](CC1CC(C)C1)[C@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001156617251 798043365 /nfs/dbraw/zinc/04/33/65/798043365.db2.gz AMFUFAGETORHBP-JVWICGRDSA-N 1 3 306.454 2.133 20 0 DEADHO CC[C@@H](C(=O)N1CCC[N@H+](CCC2CC2)CC1)N(CC)CC ZINC001197142015 798147498 /nfs/dbraw/zinc/14/74/98/798147498.db2.gz RTORKYYHIUSBDY-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@@H](C(=O)N1CCC[N@@H+](CCC2CC2)CC1)N(CC)CC ZINC001197142015 798147502 /nfs/dbraw/zinc/14/75/02/798147502.db2.gz RTORKYYHIUSBDY-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]([NH2+]C(C)C)c1ccccc1OC ZINC001198967483 798421527 /nfs/dbraw/zinc/42/15/27/798421527.db2.gz HBOCLMAFXQKUJI-MRXNPFEDSA-N 1 3 321.465 2.192 20 0 DEADHO CN1CCC(N(c2nccc3ccoc32)C2CC[NH2+]CC2)CC1 ZINC001158574656 798432885 /nfs/dbraw/zinc/43/28/85/798432885.db2.gz BWTMBPJPSCWXNU-UHFFFAOYSA-N 1 3 314.433 2.480 20 0 DEADHO CN1CCC(N(c2ccc3occc3n2)C2CC[NH2+]CC2)CC1 ZINC001158581850 798433124 /nfs/dbraw/zinc/43/31/24/798433124.db2.gz YQWDAEMZTNRUQC-UHFFFAOYSA-N 1 3 314.433 2.480 20 0 DEADHO CCC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)CN(C)CCC)[C@@H]2C1 ZINC001115160363 798616480 /nfs/dbraw/zinc/61/64/80/798616480.db2.gz UBARBXWCSHTKGR-XPWYGWHRSA-N 1 3 307.482 2.121 20 0 DEADHO CCC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)CN(C)CCC)[C@@H]2C1 ZINC001115160363 798616482 /nfs/dbraw/zinc/61/64/82/798616482.db2.gz UBARBXWCSHTKGR-XPWYGWHRSA-N 1 3 307.482 2.121 20 0 DEADHO Cc1ccc(C)c(C[NH2+]CCCNC(=O)[C@@H](C2CC2)N(C)C)c1 ZINC001159915616 798624904 /nfs/dbraw/zinc/62/49/04/798624904.db2.gz LCKGVESTJXFCRR-GOSISDBHSA-N 1 3 317.477 2.240 20 0 DEADHO Cc1cccc([C@H](C)[NH2+]CCCNC(=O)[C@@H](C2CC2)N(C)C)c1 ZINC001159931771 798627898 /nfs/dbraw/zinc/62/78/98/798627898.db2.gz HTQDSJIUKLLHGF-MAUKXSAKSA-N 1 3 317.477 2.492 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CCCc1ccccc1)N(C)C ZINC001160434887 798688485 /nfs/dbraw/zinc/68/84/85/798688485.db2.gz UQOXQKCSXVAWMK-SFHVURJKSA-N 1 3 319.493 2.301 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]C/C=C\Cl)CC1 ZINC001201313586 798738831 /nfs/dbraw/zinc/73/88/31/798738831.db2.gz FIKHXRPMWFUZQN-TWGQIWQCSA-N 1 3 301.862 2.050 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)N1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001160935500 798764995 /nfs/dbraw/zinc/76/49/95/798764995.db2.gz AFOYQGRELHJXRK-DAYGRLMNSA-N 1 3 315.461 2.159 20 0 DEADHO CC(C)CCN1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001201620776 798780173 /nfs/dbraw/zinc/78/01/73/798780173.db2.gz RWBIORJCJBXUBG-UHFFFAOYSA-N 1 3 308.470 2.213 20 0 DEADHO CN(CCN(C)C(=O)[C@@H]([NH3+])CC1CCCC1)Cc1ccccc1 ZINC001161161687 798803680 /nfs/dbraw/zinc/80/36/80/798803680.db2.gz XMAABIICIJVPPQ-SFHVURJKSA-N 1 3 317.477 2.484 20 0 DEADHO C[NH+](C)CCCC(=O)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001202217139 798843414 /nfs/dbraw/zinc/84/34/14/798843414.db2.gz JLJSNJMHVWTMKR-ZRDIBKRKSA-N 1 3 322.280 2.228 20 0 DEADHO Cc1ccccc1CCC(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161443310 798861217 /nfs/dbraw/zinc/86/12/17/798861217.db2.gz PTURLSMKRQRWLV-GOSISDBHSA-N 1 3 317.477 2.070 20 0 DEADHO CC/C=C/CC[NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001202495998 798985318 /nfs/dbraw/zinc/98/53/18/798985318.db2.gz MAVYONILVGINAT-DWTRPJMMSA-N 1 3 307.482 2.408 20 0 DEADHO CN1CCN(c2ccc(NC[C@]3(F)CCCC[NH2+]C3)cc2)CC1 ZINC001162582639 799123904 /nfs/dbraw/zinc/12/39/04/799123904.db2.gz FGNMPNORRVJSSE-SFHVURJKSA-N 1 3 320.456 2.332 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC001114488579 799147945 /nfs/dbraw/zinc/14/79/45/799147945.db2.gz PLPUURFNMKMCTP-FICVDOATSA-N 1 3 309.498 2.199 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001114488579 799147947 /nfs/dbraw/zinc/14/79/47/799147947.db2.gz PLPUURFNMKMCTP-FICVDOATSA-N 1 3 309.498 2.199 20 0 DEADHO C[C@H](N)c1nc2ccccc2n1-c1cc[nH+]c(N2CCOCC2)c1 ZINC001162765998 799168948 /nfs/dbraw/zinc/16/89/48/799168948.db2.gz KPIZSGFTJCEBFN-ZDUSSCGKSA-N 1 3 323.400 2.277 20 0 DEADHO CC[NH2+]CCN(CCc1ccccc1)C(=O)CN(CC)CC ZINC001162960206 799208641 /nfs/dbraw/zinc/20/86/41/799208641.db2.gz PAPCAFNNOWEGOJ-UHFFFAOYSA-N 1 3 305.466 2.009 20 0 DEADHO CCN(CC)CCNC(=[NH2+])Nc1cc(-c2cccs2)ncn1 ZINC001163128135 799253188 /nfs/dbraw/zinc/25/31/88/799253188.db2.gz AHWOQHQAYBRERX-UHFFFAOYSA-N 1 3 318.450 2.483 20 0 DEADHO Cc1nc(N2CCN(C)C[C@H]2c2ccccc2)cc(N(C)C)[nH+]1 ZINC001163670031 799401006 /nfs/dbraw/zinc/40/10/06/799401006.db2.gz ZNLGJUJPBPJIPD-INIZCTEOSA-N 1 3 311.433 2.344 20 0 DEADHO CN(C)C1(CNc2ccc3c(c2)NC(=O)CC3)CC[NH+](C)CC1 ZINC001164210479 799539601 /nfs/dbraw/zinc/53/96/01/799539601.db2.gz DTIISCBXAIWGGA-UHFFFAOYSA-N 1 3 316.449 2.009 20 0 DEADHO CN(C)C1(CNc2ccnc(OC(F)F)c2)CC[NH+](C)CC1 ZINC001164212861 799541060 /nfs/dbraw/zinc/54/10/60/799541060.db2.gz HQXBJDIIDIBFOY-UHFFFAOYSA-N 1 3 314.380 2.121 20 0 DEADHO C=CC(=O)Oc1ccc(NCC2(N(C)C)CC[NH+](C)CC2)cc1 ZINC001164216998 799542423 /nfs/dbraw/zinc/54/24/23/799542423.db2.gz PEIKULFNYJAPFM-UHFFFAOYSA-N 1 3 317.433 2.216 20 0 DEADHO Cc1nc(N2CCCC2)cc(N2CCC[C@@](C)(C[NH3+])CC2)n1 ZINC001164242730 799551412 /nfs/dbraw/zinc/55/14/12/799551412.db2.gz PJWRFGRGYBNOTD-QGZVFWFLSA-N 1 3 303.454 2.341 20 0 DEADHO CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001095533727 799650906 /nfs/dbraw/zinc/65/09/06/799650906.db2.gz LIJXYDQWVAIRES-LTIDMASMSA-N 1 3 305.466 2.135 20 0 DEADHO CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001095533727 799650911 /nfs/dbraw/zinc/65/09/11/799650911.db2.gz LIJXYDQWVAIRES-LTIDMASMSA-N 1 3 305.466 2.135 20 0 DEADHO CC(C)[C@H](C(=O)NCCC[NH2+]C/C=C/c1ccccc1)N(C)C ZINC001166004077 799811608 /nfs/dbraw/zinc/81/16/08/799811608.db2.gz FHXYOAJUBLCRCB-RXNMKEHESA-N 1 3 317.477 2.382 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C)c(C)c1 ZINC001166011150 799812591 /nfs/dbraw/zinc/81/25/91/799812591.db2.gz YFXBTVYLSYBRPI-GOSISDBHSA-N 1 3 319.493 2.486 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(C)C)N(CC)CC ZINC001111018219 799833100 /nfs/dbraw/zinc/83/31/00/799833100.db2.gz NGUORNZLQSAKMZ-NCOADZHNSA-N 1 3 309.498 2.484 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(C)C)N(CC)CC ZINC001111018219 799833102 /nfs/dbraw/zinc/83/31/02/799833102.db2.gz NGUORNZLQSAKMZ-NCOADZHNSA-N 1 3 309.498 2.484 20 0 DEADHO Cc1ccccc1C[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166626790 799904266 /nfs/dbraw/zinc/90/42/66/799904266.db2.gz JHDKAKDYMOPRCJ-MRXNPFEDSA-N 1 3 303.450 2.075 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]C/C=C/c1ccccc1 ZINC001166633359 799907304 /nfs/dbraw/zinc/90/73/04/799907304.db2.gz DXLASVGAPHIMFM-RIWGIVCCSA-N 1 3 315.461 2.280 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]C/C=C\c2ccccc2)C1 ZINC001166667949 799915099 /nfs/dbraw/zinc/91/50/99/799915099.db2.gz MKHZKVMJTOYXOM-VWTAQGJOSA-N 1 3 315.461 2.138 20 0 DEADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCCC[NH2+]CCC2CC2)C1 ZINC001166686635 799920365 /nfs/dbraw/zinc/92/03/65/799920365.db2.gz ABQJXNDBTDJCRW-KRWDZBQOSA-N 1 3 313.461 2.095 20 0 DEADHO CC(C)=CC[NH2+]CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001166686992 799921549 /nfs/dbraw/zinc/92/15/49/799921549.db2.gz GLLLNWFZPLFQND-KRWDZBQOSA-N 1 3 313.461 2.261 20 0 DEADHO CN(CC(=O)NCCC[NH2+]Cc1ccsc1)CC(C)(C)C ZINC001166744214 799938409 /nfs/dbraw/zinc/93/84/09/799938409.db2.gz MBRJSJWWINOAHE-UHFFFAOYSA-N 1 3 311.495 2.322 20 0 DEADHO CC[C@H](F)C[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001167035388 800012352 /nfs/dbraw/zinc/01/23/52/800012352.db2.gz FZRPOIDOBNVITG-LSDHHAIUSA-N 1 3 315.477 2.197 20 0 DEADHO CC(C)[C@H](C(=O)NCCC1(C[NH2+]CC[C@@H](C)F)CC1)N(C)C ZINC001167035415 800012790 /nfs/dbraw/zinc/01/27/90/800012790.db2.gz HLOYQJJQUQUORB-HUUCEWRRSA-N 1 3 315.477 2.197 20 0 DEADHO CCN(CC)CC(=O)N[C@H]1C[C@H]([NH2+]CCC(C)C)C12CCC2 ZINC001203522355 800070067 /nfs/dbraw/zinc/07/00/67/800070067.db2.gz NLUJIJWNHICVTF-HOTGVXAUSA-N 1 3 309.498 2.391 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CC2)C12CCC2 ZINC001203650924 800099185 /nfs/dbraw/zinc/09/91/85/800099185.db2.gz KLLDKNYLVAIKDL-CVEARBPZSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCC2CC2)C12CCC2 ZINC001203791483 800123405 /nfs/dbraw/zinc/12/34/05/800123405.db2.gz IZIKOVCAAHCIAO-HZPDHXFCSA-N 1 3 307.482 2.144 20 0 DEADHO CC[N@H+](CCCN(C)C)Cc1ccc(OC(C)=O)c(OC)c1 ZINC001203837070 800130645 /nfs/dbraw/zinc/13/06/45/800130645.db2.gz MGIWAZZSLHTJGR-UHFFFAOYSA-N 1 3 308.422 2.394 20 0 DEADHO CC[N@@H+](CCCN(C)C)Cc1ccc(OC(C)=O)c(OC)c1 ZINC001203837070 800130649 /nfs/dbraw/zinc/13/06/49/800130649.db2.gz MGIWAZZSLHTJGR-UHFFFAOYSA-N 1 3 308.422 2.394 20 0 DEADHO CO[C@H](C)C1CN(Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001204270851 800197287 /nfs/dbraw/zinc/19/72/87/800197287.db2.gz CWYUACOSWPDOLG-OAHLLOKOSA-N 1 3 306.450 2.484 20 0 DEADHO Cc1c(F)cccc1C[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC001204512071 800223746 /nfs/dbraw/zinc/22/37/46/800223746.db2.gz YYLLBTKASIAHQD-UHFFFAOYSA-N 1 3 305.441 2.346 20 0 DEADHO CC[C@H](F)C[NH2+]CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001205457625 800358439 /nfs/dbraw/zinc/35/84/39/800358439.db2.gz HQQDVWFKSSCUDF-HNNXBMFYSA-N 1 3 313.461 2.047 20 0 DEADHO CC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1cccc(F)c1 ZINC001205458232 800360095 /nfs/dbraw/zinc/36/00/95/800360095.db2.gz DFOLLVCDHOBELP-DLBZAZTESA-N 1 3 321.440 2.070 20 0 DEADHO COC(=O)c1ccc(CN2CCC[C@](F)(C[NH3+])CC2)cc1F ZINC001205581515 800380929 /nfs/dbraw/zinc/38/09/29/800380929.db2.gz UXNODWNZQXXHGN-MRXNPFEDSA-N 1 3 312.360 2.265 20 0 DEADHO COC(=O)c1cccc(CN2CCC[C@](F)(C[NH3+])CC2)c1OC ZINC001205591721 800382506 /nfs/dbraw/zinc/38/25/06/800382506.db2.gz OGUSEAFAXBUYGR-QGZVFWFLSA-N 1 3 324.396 2.135 20 0 DEADHO C[C@@H]1CCN(Cc2ccnn2[C@@H]2CCCCO2)CC[C@@H]1C[NH3+] ZINC001205617808 800387832 /nfs/dbraw/zinc/38/78/32/800387832.db2.gz NZNNPDCFPCUDDI-INMHGKMJSA-N 1 3 306.454 2.389 20 0 DEADHO Cc1ccc(OC(C)C)cc1CN1CCCC[C@](O)(C[NH3+])C1 ZINC001205733957 800411027 /nfs/dbraw/zinc/41/10/27/800411027.db2.gz ABNPKQWMWQFYHW-SFHVURJKSA-N 1 3 306.450 2.458 20 0 DEADHO C[C@@H]1CN(Cc2cn(C)nc2C(F)(F)F)CCC[C@@H]1C[NH3+] ZINC001206011161 800458163 /nfs/dbraw/zinc/45/81/63/800458163.db2.gz AJJHFDUCSOXULD-GHMZBOCLSA-N 1 3 304.360 2.246 20 0 DEADHO C[C@H]1C[N@H+](Cc2ccc([O-])c3[nH]c(=O)ccc23)CCC[C@H]1C[NH3+] ZINC001206024344 800460533 /nfs/dbraw/zinc/46/05/33/800460533.db2.gz IPUQGRGMKLBGFE-STQMWFEESA-N 1 3 315.417 2.453 20 0 DEADHO C[C@H]1C[N@@H+](Cc2ccc([O-])c3[nH]c(=O)ccc23)CCC[C@H]1C[NH3+] ZINC001206024344 800460538 /nfs/dbraw/zinc/46/05/38/800460538.db2.gz IPUQGRGMKLBGFE-STQMWFEESA-N 1 3 315.417 2.453 20 0 DEADHO CN(C)CCN(Cc1cccc(O)c1)C(=O)CC[NH2+]C(C)(C)C ZINC000934938726 800504815 /nfs/dbraw/zinc/50/48/15/800504815.db2.gz OKAAJCSPEQCDSY-UHFFFAOYSA-N 1 3 321.465 2.061 20 0 DEADHO CC(C)N(Cc1nc2c(s1)CNCC2)[C@@H]1CCC[NH2+]CC1 ZINC001206597770 800561718 /nfs/dbraw/zinc/56/17/18/800561718.db2.gz GCSUZYNPMYMMMK-CYBMUJFWSA-N 1 3 308.495 2.141 20 0 DEADHO CCOC(=O)c1[nH]c(C)c(CN2CCCC[C@@H](C[NH3+])C2)c1C ZINC001206615492 800565692 /nfs/dbraw/zinc/56/56/92/800565692.db2.gz GGJYFEBKMFUNMS-AWEZNQCLSA-N 1 3 307.438 2.369 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC(C[NH2+]CCC(F)(F)F)CC1 ZINC001206954571 800639944 /nfs/dbraw/zinc/63/99/44/800639944.db2.gz NMFUINLGUYDNNT-UHFFFAOYSA-N 1 3 323.403 2.107 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC(C[NH2+]CCCCCF)CC1 ZINC001206954390 800640598 /nfs/dbraw/zinc/64/05/98/800640598.db2.gz HKIZYFYNIFVBIJ-UHFFFAOYSA-N 1 3 315.477 2.295 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CC(C)C)CC1 ZINC001206952324 800640603 /nfs/dbraw/zinc/64/06/03/800640603.db2.gz KJUSGXKAOHTSRT-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO C[N@@H+]1CC[C@@H]2CN(C[C@@H]3CCCN3C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001207367988 800736675 /nfs/dbraw/zinc/73/66/75/800736675.db2.gz TYUCHCMURZYUQV-PMPSAXMXSA-N 1 3 323.481 2.269 20 0 DEADHO C[N@H+]1CC[C@@H]2CN(C[C@@H]3CCCN3C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001207367988 800736681 /nfs/dbraw/zinc/73/66/81/800736681.db2.gz TYUCHCMURZYUQV-PMPSAXMXSA-N 1 3 323.481 2.269 20 0 DEADHO COC(=O)CC[N@H+](CCCN(C)C)CCc1cccc(OC)c1 ZINC001207428121 800749427 /nfs/dbraw/zinc/74/94/27/800749427.db2.gz VILWZFKVDUNOCT-UHFFFAOYSA-N 1 3 322.449 2.055 20 0 DEADHO COC(=O)CC[N@@H+](CCCN(C)C)CCc1cccc(OC)c1 ZINC001207428121 800749430 /nfs/dbraw/zinc/74/94/30/800749430.db2.gz VILWZFKVDUNOCT-UHFFFAOYSA-N 1 3 322.449 2.055 20 0 DEADHO COC(CCN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC000686610083 800846372 /nfs/dbraw/zinc/84/63/72/800846372.db2.gz ZFEGWTHWQXEMEB-QGZVFWFLSA-N 1 3 306.450 2.449 20 0 DEADHO COC(CCN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)OC ZINC000686610083 800846379 /nfs/dbraw/zinc/84/63/79/800846379.db2.gz ZFEGWTHWQXEMEB-QGZVFWFLSA-N 1 3 306.450 2.449 20 0 DEADHO CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001111164380 800856071 /nfs/dbraw/zinc/85/60/71/800856071.db2.gz WTLJIAOPEPPSBQ-WCXIOVBPSA-N 1 3 309.498 2.484 20 0 DEADHO COC(=O)[C@H]1CN(CC2(C)CC[NH+](C)CC2)Cc2ccccc21 ZINC001208112767 800915421 /nfs/dbraw/zinc/91/54/21/800915421.db2.gz YPMJEMWMBSSUGA-KRWDZBQOSA-N 1 3 316.445 2.491 20 0 DEADHO Cc1ccnc(O[C@@H]2CC[N@@H+](CC3(CN(C)C)CCCC3)C2)n1 ZINC001208187818 800925342 /nfs/dbraw/zinc/92/53/42/800925342.db2.gz APASZFFMPPZWEK-MRXNPFEDSA-N 1 3 318.465 2.360 20 0 DEADHO Cc1ccnc(O[C@@H]2CC[N@H+](CC3(CN(C)C)CCCC3)C2)n1 ZINC001208187818 800925345 /nfs/dbraw/zinc/92/53/45/800925345.db2.gz APASZFFMPPZWEK-MRXNPFEDSA-N 1 3 318.465 2.360 20 0 DEADHO COCCCCN1CCN(CC2(C[NH+](C)C)CCCC2)CC1 ZINC001208188663 800927314 /nfs/dbraw/zinc/92/73/14/800927314.db2.gz MTEDZDMVVHXKFA-UHFFFAOYSA-N 1 3 311.514 2.153 20 0 DEADHO C[NH+]1CCC(CN2CCN(CCc3cccc(F)c3)CC2)CC1 ZINC001208201578 800929718 /nfs/dbraw/zinc/92/97/18/800929718.db2.gz KXKCWPRCEVMKJU-UHFFFAOYSA-N 1 3 319.468 2.328 20 0 DEADHO COC(=O)[C@H]1CC[C@H](C[NH+]2CCN(c3ccncc3)CC2)CC1 ZINC001208624479 801038924 /nfs/dbraw/zinc/03/89/24/801038924.db2.gz MGFCZWDTNNBCDH-WKILWMFISA-N 1 3 317.433 2.183 20 0 DEADHO CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001209640352 801243507 /nfs/dbraw/zinc/24/35/07/801243507.db2.gz AYFLPLWVZLEFFC-PPPANMTLSA-N 1 3 307.482 2.265 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001209838803 801293396 /nfs/dbraw/zinc/29/33/96/801293396.db2.gz ZLYGKBOKOIQUGY-AUNFYEFLSA-N 1 3 324.428 2.246 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](NCc2ccccc2F)C1 ZINC001210482087 801409971 /nfs/dbraw/zinc/40/99/71/801409971.db2.gz KPWGJTFOAAJMFQ-MRXNPFEDSA-N 1 3 321.440 2.248 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](NCc2ccccc2F)C1 ZINC001210482087 801409975 /nfs/dbraw/zinc/40/99/75/801409975.db2.gz KPWGJTFOAAJMFQ-MRXNPFEDSA-N 1 3 321.440 2.248 20 0 DEADHO F[C@H]1CNCCN(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001210579945 801425183 /nfs/dbraw/zinc/42/51/83/801425183.db2.gz CQTCHHFBFTUZFJ-ZWKOTPCHSA-N 1 3 305.441 2.284 20 0 DEADHO F[C@H]1CNCCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001210579945 801425185 /nfs/dbraw/zinc/42/51/85/801425185.db2.gz CQTCHHFBFTUZFJ-ZWKOTPCHSA-N 1 3 305.441 2.284 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001230618851 801439082 /nfs/dbraw/zinc/43/90/82/801439082.db2.gz RQGADODTCAQVLF-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CCC)CC1 ZINC001230618851 801439088 /nfs/dbraw/zinc/43/90/88/801439088.db2.gz RQGADODTCAQVLF-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001211269760 801539990 /nfs/dbraw/zinc/53/99/90/801539990.db2.gz VLXNLOVIBSARAH-KRWDZBQOSA-N 1 3 321.440 2.247 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C)N1CCCC1 ZINC001211377254 801558002 /nfs/dbraw/zinc/55/80/02/801558002.db2.gz URKGZILKIMHPRH-NXHRZFHOSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C)N1CCCC1 ZINC001211377254 801558007 /nfs/dbraw/zinc/55/80/07/801558007.db2.gz URKGZILKIMHPRH-NXHRZFHOSA-N 1 3 321.509 2.343 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CCC(C)(C)C ZINC001215536354 801873595 /nfs/dbraw/zinc/87/35/95/801873595.db2.gz OCUXWMXAELFUPQ-OWCLPIDISA-N 1 3 309.498 2.343 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC=C(C)C)C1 ZINC001216844575 802032398 /nfs/dbraw/zinc/03/23/98/802032398.db2.gz GADVBPOQGPUBLM-BRWVUGGUSA-N 1 3 307.482 2.264 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1csc2cnccc12 ZINC001218635645 802218215 /nfs/dbraw/zinc/21/82/15/802218215.db2.gz OCYHEYKVRJQZNG-LBPRGKRZSA-N 1 3 306.435 2.294 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccc(C(F)F)nc1 ZINC001218655934 802222499 /nfs/dbraw/zinc/22/24/99/802222499.db2.gz NCQWKFRAGNWAFN-LBPRGKRZSA-N 1 3 314.380 2.453 20 0 DEADHO O=C(Nc1cccc2c1CNC2)c1ccc2c(c1)CC[NH2+]CC2 ZINC001218993908 802271688 /nfs/dbraw/zinc/27/16/88/802271688.db2.gz UGHZJJDCRBLMAV-UHFFFAOYSA-N 1 3 307.397 2.230 20 0 DEADHO O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)c1cncc2c1CCNC2 ZINC001218998142 802273254 /nfs/dbraw/zinc/27/32/54/802273254.db2.gz KCBJPXPZHCXLLW-CQSZACIVSA-N 1 3 322.412 2.057 20 0 DEADHO C[C@@H]([NH3+])c1cccc(C(=O)Nc2ccc3c(c2)CNCCO3)c1 ZINC001219031294 802276254 /nfs/dbraw/zinc/27/62/54/802276254.db2.gz GHYHCQPYRPXGAT-GFCCVEGCSA-N 1 3 311.385 2.441 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccccc1-c1cc[nH]n1 ZINC001219124280 802286299 /nfs/dbraw/zinc/28/62/99/802286299.db2.gz JTCJAWRUJPETKK-AWEZNQCLSA-N 1 3 315.421 2.074 20 0 DEADHO C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H](c3ccccc3)N2)C[NH2+]1 ZINC001219587192 802353151 /nfs/dbraw/zinc/35/31/51/802353151.db2.gz VDHUGJFXRVNSGZ-QMCVQRASSA-N 1 3 301.434 2.127 20 0 DEADHO Cc1ccc(CCNC(=O)[C@@H](N)CCCC[NH+](C)C)c(C)c1 ZINC001219908201 802390159 /nfs/dbraw/zinc/39/01/59/802390159.db2.gz WAOQPOHNSHQXAP-KRWDZBQOSA-N 1 3 305.466 2.021 20 0 DEADHO NC(C(=O)NCC1CC[NH+](C2CCCCC2)CC1)C(F)(F)F ZINC001220261160 802434186 /nfs/dbraw/zinc/43/41/86/802434186.db2.gz SLQAPAVJRDEJGO-ZDUSSCGKSA-N 1 3 321.387 2.037 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC(C)(C)C1 ZINC001220289273 802439979 /nfs/dbraw/zinc/43/99/79/802439979.db2.gz YCIBWBRMNUJHJY-RBSFLKMASA-N 1 3 307.482 2.192 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CC(C)(C)C1 ZINC001220289273 802439981 /nfs/dbraw/zinc/43/99/81/802439981.db2.gz YCIBWBRMNUJHJY-RBSFLKMASA-N 1 3 307.482 2.192 20 0 DEADHO N[C@@H](CCCc1ccccc1)C(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001220681305 802485757 /nfs/dbraw/zinc/48/57/57/802485757.db2.gz ZVQOCOKLATYYGZ-MLHJIOFPSA-N 1 3 315.461 2.126 20 0 DEADHO N[C@H](CCC[NH3+])C(=O)NCc1cccc(-c2ccc(F)cc2)c1 ZINC001220959910 802514953 /nfs/dbraw/zinc/51/49/53/802514953.db2.gz BQRFFLDEEQDFHD-QGZVFWFLSA-N 1 3 315.392 2.175 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)NCC1(C)CCC(F)(F)CC1 ZINC001221108493 802529523 /nfs/dbraw/zinc/52/95/23/802529523.db2.gz WVYGLHYCCGGNJE-ZDUSSCGKSA-N 1 3 319.440 2.377 20 0 DEADHO CC[C@@H](F)CN1CCC(CNC(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001223653901 802806742 /nfs/dbraw/zinc/80/67/42/802806742.db2.gz GEGMJRSCSOYORD-OAHLLOKOSA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@@H](F)CN1CCC(CNC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001223653901 802806747 /nfs/dbraw/zinc/80/67/47/802806747.db2.gz GEGMJRSCSOYORD-OAHLLOKOSA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@@H](C(=O)NCC1CC[NH+](CCCCCF)CC1)N(C)C ZINC001224583347 802883836 /nfs/dbraw/zinc/88/38/36/802883836.db2.gz QRQRACDHARCVEI-INIZCTEOSA-N 1 3 315.477 2.295 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1CC[NH+](CC2CC(C)C2)CC1 ZINC001225285209 802951517 /nfs/dbraw/zinc/95/15/17/802951517.db2.gz KQWZQEPOEYWPPK-UHFFFAOYSA-N 1 3 318.465 2.135 20 0 DEADHO CN(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\Cl)C1CC1 ZINC001226801443 803162742 /nfs/dbraw/zinc/16/27/42/803162742.db2.gz XIVFHXREYNQGCZ-BGVKGVKJSA-N 1 3 313.873 2.096 20 0 DEADHO C[NH+](C)C1(CC(=O)N[C@@H]2CCCC[C@H]2NCCF)CCCC1 ZINC001227751025 803275279 /nfs/dbraw/zinc/27/52/79/803275279.db2.gz VOWGCHFWIPIWFC-HUUCEWRRSA-N 1 3 313.461 2.237 20 0 DEADHO CN(C)[C@H](C(=O)NC1CC[NH+](CCC2CCCC2)CC1)C1CC1 ZINC001227798099 803281154 /nfs/dbraw/zinc/28/11/54/803281154.db2.gz SECNZBAYRCVPIM-SFHVURJKSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)[C@H](C(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1CC1 ZINC001227797319 803281384 /nfs/dbraw/zinc/28/13/84/803281384.db2.gz HCFOIBPEEPFDIC-SFHVURJKSA-N 1 3 321.509 2.488 20 0 DEADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCF)CC(C)(C)C ZINC001228624227 803381788 /nfs/dbraw/zinc/38/17/88/803381788.db2.gz TVWBXIXAVLEGEE-HUUCEWRRSA-N 1 3 315.477 2.341 20 0 DEADHO C[C@@H](CCC[NH2+]Cc1cncs1)NC(=O)C1(N(C)C)CCC1 ZINC001330837138 1149311327 /nfs/dbraw/zinc/31/13/27/1149311327.db2.gz UOJDENINXGISKP-ZDUSSCGKSA-N 1 3 324.494 2.002 20 0 DEADHO CC(C)CCCN1CC[C@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001368398767 1148433474 /nfs/dbraw/zinc/43/34/74/1148433474.db2.gz JKRNDDCWQNYGMP-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001604054926 1070189290 /nfs/dbraw/zinc/18/92/90/1070189290.db2.gz MTKZINMIKMIXIP-UGFHNGPFSA-N 1 3 300.410 2.035 20 0 DEADHO CC[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001604054926 1070189293 /nfs/dbraw/zinc/18/92/93/1070189293.db2.gz MTKZINMIKMIXIP-UGFHNGPFSA-N 1 3 300.410 2.035 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CCCN(C/C=C/Cl)CC1)[NH+](C)C ZINC001368519280 1148475398 /nfs/dbraw/zinc/47/53/98/1148475398.db2.gz YEKFLOLDUPSNMB-OVPGCVMQSA-N 1 3 315.889 2.296 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)CCc1ccccc1F)N(C)C ZINC001368987067 1148818118 /nfs/dbraw/zinc/81/81/18/1148818118.db2.gz JWLBXZNCCXSYHN-YOEHRIQHSA-N 1 3 323.456 2.145 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CCc1ccccc1F)N(C)C ZINC001368987067 1148818120 /nfs/dbraw/zinc/81/81/20/1148818120.db2.gz JWLBXZNCCXSYHN-YOEHRIQHSA-N 1 3 323.456 2.145 20 0 DEADHO C[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)[C@@H]1CCC[NH3+] ZINC001605409032 1070704789 /nfs/dbraw/zinc/70/47/89/1070704789.db2.gz BCTHHXURQYMFOU-CZUORRHYSA-N 1 3 314.437 2.206 20 0 DEADHO C[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)[C@@H]1CCC[NH3+] ZINC001605409032 1070704799 /nfs/dbraw/zinc/70/47/99/1070704799.db2.gz BCTHHXURQYMFOU-CZUORRHYSA-N 1 3 314.437 2.206 20 0 DEADHO C[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)[C@@H]1CCC[NH3+] ZINC001605409032 1070704812 /nfs/dbraw/zinc/70/48/12/1070704812.db2.gz BCTHHXURQYMFOU-CZUORRHYSA-N 1 3 314.437 2.206 20 0 DEADHO C[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)[C@@H]1CCC[NH3+] ZINC001605409032 1070704823 /nfs/dbraw/zinc/70/48/23/1070704823.db2.gz BCTHHXURQYMFOU-CZUORRHYSA-N 1 3 314.437 2.206 20 0 DEADHO C[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C1C[NH+](CC2CC2)C1 ZINC001369093919 1148847490 /nfs/dbraw/zinc/84/74/90/1148847490.db2.gz WFXRFMGVLACJNG-HUUCEWRRSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](C(=O)N[C@@H](C)C1C[NH+](CC2CC2)C1)N1CCCCCC1 ZINC001369093920 1148847591 /nfs/dbraw/zinc/84/75/91/1148847591.db2.gz WFXRFMGVLACJNG-LSDHHAIUSA-N 1 3 307.482 2.097 20 0 DEADHO CCN(CC)CC[C@H](C)[NH2+]C1CCC2(CS(=O)(=O)C2)CC1 ZINC001462676552 1058882404 /nfs/dbraw/zinc/88/24/04/1058882404.db2.gz YAKLHUHSGLQFMK-AWEZNQCLSA-N 1 3 316.511 2.054 20 0 DEADHO CCCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001501143690 1059326802 /nfs/dbraw/zinc/32/68/02/1059326802.db2.gz SNMREFNAOGDOLU-DLBZAZTESA-N 1 3 309.498 2.203 20 0 DEADHO CC/C=C/CC[NH2+]CC[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001501648088 1059606640 /nfs/dbraw/zinc/60/66/40/1059606640.db2.gz ULWSRBVRNLLUDR-REMYHPOOSA-N 1 3 307.482 2.267 20 0 DEADHO CC/C=C/CC[NH2+]CC[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001501648085 1059606821 /nfs/dbraw/zinc/60/68/21/1059606821.db2.gz ULWSRBVRNLLUDR-IDOMTICXSA-N 1 3 307.482 2.267 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C1C[NH+](CCc2cccs2)C1 ZINC001369167171 1148859649 /nfs/dbraw/zinc/85/96/49/1148859649.db2.gz RUYOBGAUAMIPJV-CQSZACIVSA-N 1 3 323.506 2.069 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]Cc2cccc(F)c2)[C@@H](C)C1 ZINC001502761469 1060280740 /nfs/dbraw/zinc/28/07/40/1060280740.db2.gz ASJWMOHQNOVNRB-YOEHRIQHSA-N 1 3 321.440 2.102 20 0 DEADHO CCOC(=O)c1[nH]c(C)c(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)c1C ZINC001474303234 1060848881 /nfs/dbraw/zinc/84/88/81/1060848881.db2.gz USHHBGBTDDUJKX-VNQPRFMTSA-N 1 3 319.449 2.238 20 0 DEADHO Cc1cc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CN(C)C(C)C)cs1 ZINC001505761010 1060939726 /nfs/dbraw/zinc/93/97/26/1060939726.db2.gz QFGSPRGGWAGFRZ-KBPBESRZSA-N 1 3 311.495 2.380 20 0 DEADHO CN(CC(C)(C)C[NH2+]C/C=C/Cl)C(=O)CN(C)C1CCC1 ZINC001505816132 1060995442 /nfs/dbraw/zinc/99/54/42/1060995442.db2.gz FUHFVUACYUDMRU-RMKNXTFCSA-N 1 3 315.889 2.297 20 0 DEADHO Cc1ccc(F)cc1CN(C)[C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001505991679 1061228150 /nfs/dbraw/zinc/22/81/50/1061228150.db2.gz XZPZYPNITGTWSM-HNNXBMFYSA-N 1 3 323.456 2.412 20 0 DEADHO Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001506002081 1061247657 /nfs/dbraw/zinc/24/76/57/1061247657.db2.gz NJTNHPVIMGZKJJ-DLBZAZTESA-N 1 3 317.477 2.273 20 0 DEADHO Cc1ccc(C[N@H+](C)[C@H](C)CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001506002081 1061247678 /nfs/dbraw/zinc/24/76/78/1061247678.db2.gz NJTNHPVIMGZKJJ-DLBZAZTESA-N 1 3 317.477 2.273 20 0 DEADHO Cc1ccc(C)c(CN2CC[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001479961422 1062111390 /nfs/dbraw/zinc/11/13/90/1062111390.db2.gz FURTXYXIGHPYDG-SFHVURJKSA-N 1 3 317.477 2.336 20 0 DEADHO CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C(C)C)N1CCCC1 ZINC001506580510 1062155174 /nfs/dbraw/zinc/15/51/74/1062155174.db2.gz GZKDHIPRGGLBFN-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C(C)C)N1CCCC1 ZINC001506580510 1062155180 /nfs/dbraw/zinc/15/51/80/1062155180.db2.gz GZKDHIPRGGLBFN-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H](NC/C=C/Cl)C2)C1 ZINC001480115341 1062345155 /nfs/dbraw/zinc/34/51/55/1062345155.db2.gz SKRRZYDWZOYLIW-PWZNUNQRSA-N 1 3 313.873 2.051 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H](NC/C=C/Cl)C2)C1 ZINC001480115341 1062345180 /nfs/dbraw/zinc/34/51/80/1062345180.db2.gz SKRRZYDWZOYLIW-PWZNUNQRSA-N 1 3 313.873 2.051 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]CC3CC(C)(C)C3)C2)CCC1 ZINC001506886930 1062474247 /nfs/dbraw/zinc/47/42/47/1062474247.db2.gz WHWMHDDYFLDGOV-KOMQPUFPSA-N 1 3 321.509 2.391 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCc2cccs2)C[C@@H]1C ZINC001507327926 1063101972 /nfs/dbraw/zinc/10/19/72/1063101972.db2.gz LPKKPMMMADUQRQ-GJZGRUSLSA-N 1 3 323.506 2.211 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CC[C@@H](C[NH2+]C/C=C\Cl)C2)CCC1 ZINC001507397942 1063225875 /nfs/dbraw/zinc/22/58/75/1063225875.db2.gz ICIZWSLREYNDMW-LTZSUWJESA-N 1 3 313.873 2.098 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CCF ZINC001480832629 1063421827 /nfs/dbraw/zinc/42/18/27/1063421827.db2.gz CXVWYCIZHNBEEP-HOTGVXAUSA-N 1 3 313.461 2.191 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CCF ZINC001480832629 1063421840 /nfs/dbraw/zinc/42/18/40/1063421840.db2.gz CXVWYCIZHNBEEP-HOTGVXAUSA-N 1 3 313.461 2.191 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCc2csc(C)c2)CC[N@@H+]1C ZINC001493550490 1063860771 /nfs/dbraw/zinc/86/07/71/1063860771.db2.gz HSZPRSGNZNBINT-JKSUJKDBSA-N 1 3 323.506 2.335 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCc2csc(C)c2)CC[N@H+]1C ZINC001493550490 1063860781 /nfs/dbraw/zinc/86/07/81/1063860781.db2.gz HSZPRSGNZNBINT-JKSUJKDBSA-N 1 3 323.506 2.335 20 0 DEADHO CN(CC[NH2+]CC1CCC(C)(C)CC1)C(=O)CN1CCCC1 ZINC001493794621 1063965730 /nfs/dbraw/zinc/96/57/30/1063965730.db2.gz YEFCPZLRMOGJBB-UHFFFAOYSA-N 1 3 309.498 2.347 20 0 DEADHO CN(CC(=O)NCC1C[NH+](CCCC2CCCC2)C1)C1CCC1 ZINC001494559702 1064318728 /nfs/dbraw/zinc/31/87/28/1064318728.db2.gz SWTPOLIRQHGZON-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CCCCC[N@@H+]1CC[C@@H](N(CC)C(=O)CN2CC[C@H](C)C2)C1 ZINC001494910507 1064568594 /nfs/dbraw/zinc/56/85/94/1064568594.db2.gz NIRHMKBKBSTSFL-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCCC[N@H+]1CC[C@@H](N(CC)C(=O)CN2CC[C@H](C)C2)C1 ZINC001494910507 1064568602 /nfs/dbraw/zinc/56/86/02/1064568602.db2.gz NIRHMKBKBSTSFL-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO C[C@H](CNCCF)N(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001568295550 1064761856 /nfs/dbraw/zinc/76/18/56/1064761856.db2.gz XTNSGEQOBVKLQA-GDBMZVCRSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H](CNCCF)N(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001568295550 1064761866 /nfs/dbraw/zinc/76/18/66/1064761866.db2.gz XTNSGEQOBVKLQA-GDBMZVCRSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)N(C)CC(=O)NC1(C[NH2+]C/C=C\Cl)CCCC1 ZINC001495211953 1064765845 /nfs/dbraw/zinc/76/58/45/1064765845.db2.gz PHTJTLKGELHVHC-TWGQIWQCSA-N 1 3 301.862 2.098 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)NCc2ccc(CNC/C=C\Cl)cc2)C1 ZINC001495498572 1064948259 /nfs/dbraw/zinc/94/82/59/1064948259.db2.gz VMJXAZJYSSLIMK-NGKAXPBTSA-N 1 3 321.852 2.097 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)NCc2ccc(CNC/C=C\Cl)cc2)C1 ZINC001495498572 1064948277 /nfs/dbraw/zinc/94/82/77/1064948277.db2.gz VMJXAZJYSSLIMK-NGKAXPBTSA-N 1 3 321.852 2.097 20 0 DEADHO CC(C)C[NH2+]CC[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001568677885 1065043167 /nfs/dbraw/zinc/04/31/67/1065043167.db2.gz HNDCGRHOSBONKS-YOEHRIQHSA-N 1 3 315.477 2.339 20 0 DEADHO CC(C)C[NH2+]CC[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001568677875 1065043544 /nfs/dbraw/zinc/04/35/44/1065043544.db2.gz HNDCGRHOSBONKS-PBHICJAKSA-N 1 3 315.477 2.339 20 0 DEADHO CCN(CCNCc1ccccc1F)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001568749845 1065097569 /nfs/dbraw/zinc/09/75/69/1065097569.db2.gz RRIUKNHAEYLMEO-KRWDZBQOSA-N 1 3 323.456 2.350 20 0 DEADHO C[N@@H+]1CCC[C@H]1CCC(=O)NC/C=C\CNCCC(F)(F)F ZINC001568867023 1065166263 /nfs/dbraw/zinc/16/62/63/1065166263.db2.gz ZRPVWGYSWNCULS-ZRMMWKCHSA-N 1 3 321.387 2.075 20 0 DEADHO C[N@H+]1CCC[C@H]1CCC(=O)NC/C=C\CNCCC(F)(F)F ZINC001568867023 1065166267 /nfs/dbraw/zinc/16/62/67/1065166267.db2.gz ZRPVWGYSWNCULS-ZRMMWKCHSA-N 1 3 321.387 2.075 20 0 DEADHO CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1ccc(C)cc1C)N(C)C ZINC001568871124 1065167595 /nfs/dbraw/zinc/16/75/95/1065167595.db2.gz KBVITBXNYXZIPS-JTHGQSKGSA-N 1 3 317.477 2.406 20 0 DEADHO C[NH+](C)CCC(=O)NC/C=C\CN[C@@H]1CCc2ccc(F)cc21 ZINC001568911741 1065186678 /nfs/dbraw/zinc/18/66/78/1065186678.db2.gz HVTOUWXVMOIEDX-CWIOURORSA-N 1 3 319.424 2.027 20 0 DEADHO CCCN(C)CC(=O)N1CCC2(C[NH+](CC[C@@H](C)F)C2)CC1 ZINC001495984811 1065205378 /nfs/dbraw/zinc/20/53/78/1065205378.db2.gz COJNCRBJDLDCBN-OAHLLOKOSA-N 1 3 313.461 2.001 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC/C=C\C[NH2+]CCCC(C)(C)C ZINC001568953817 1065209981 /nfs/dbraw/zinc/20/99/81/1065209981.db2.gz HRIPUHWFGFLMBD-WAYWQWQTSA-N 1 3 306.454 2.349 20 0 DEADHO C[C@H](CNCCF)N(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001496059651 1065255867 /nfs/dbraw/zinc/25/58/67/1065255867.db2.gz ATTPWXMPNHINNC-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H](CNCCF)N(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001496059651 1065255877 /nfs/dbraw/zinc/25/58/77/1065255877.db2.gz ATTPWXMPNHINNC-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO CN(CCC[NH2+]Cc1cccc(F)c1)C(=O)[C@@H]1CCCCN1C ZINC001569231141 1065378937 /nfs/dbraw/zinc/37/89/37/1065378937.db2.gz FHQYSOAGAQIWOB-KRWDZBQOSA-N 1 3 321.440 2.248 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@H]1CC[NH2+]C/C=C/Cl ZINC001496402714 1065450152 /nfs/dbraw/zinc/45/01/52/1065450152.db2.gz DDFRJQVXPDYFTQ-KOMYPQRHSA-N 1 3 313.873 2.194 20 0 DEADHO C[C@@H]([NH2+]CCF)[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001496445580 1065474526 /nfs/dbraw/zinc/47/45/26/1065474526.db2.gz CEYFLSPQGUXLRL-CABCVRRESA-N 1 3 315.477 2.151 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001497266775 1066000480 /nfs/dbraw/zinc/00/04/80/1066000480.db2.gz ZRSDOKJJQMEEHP-WMLDXEAASA-N 1 3 323.456 2.396 20 0 DEADHO CCN(CC[NH2+]Cc1cccc(F)c1)C(=O)CN(C)C1CCC1 ZINC001497400667 1066073291 /nfs/dbraw/zinc/07/32/91/1066073291.db2.gz IPXKLNGJYXVVDO-UHFFFAOYSA-N 1 3 321.440 2.248 20 0 DEADHO CC(C)(C)OC(=O)Nc1cnc(CNCCCCCC[NH3+])cn1 ZINC001575236599 1066229824 /nfs/dbraw/zinc/22/98/24/1066229824.db2.gz CMIBNZQPEQRXPP-UHFFFAOYSA-N 1 3 323.441 2.432 20 0 DEADHO CC(C)N(C)CC(=O)NC/C=C/C[NH2+][C@H](C)c1ccccc1 ZINC001497766279 1066296189 /nfs/dbraw/zinc/29/61/89/1066296189.db2.gz UUMCLUWKHJELNP-ROJDOSBLSA-N 1 3 303.450 2.350 20 0 DEADHO CC(C)C[C@H]([NH3+])CC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001575644425 1066387255 /nfs/dbraw/zinc/38/72/55/1066387255.db2.gz KRZADVMYPJSOKX-ZWKOTPCHSA-N 1 3 317.477 2.483 20 0 DEADHO CC(C)c1cc([C@H]2CCCN(Cc3c(C[NH3+])cnn3C)C2)n[nH]1 ZINC001575850518 1066444544 /nfs/dbraw/zinc/44/45/44/1066444544.db2.gz QBMROXUXGXKFJJ-ZDUSSCGKSA-N 1 3 316.453 2.105 20 0 DEADHO CC(C)c1cc([C@H]2CCCN(Cc3c(C[NH3+])cnn3C)C2)[nH]n1 ZINC001575850518 1066444548 /nfs/dbraw/zinc/44/45/48/1066444548.db2.gz QBMROXUXGXKFJJ-ZDUSSCGKSA-N 1 3 316.453 2.105 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001497992257 1066450006 /nfs/dbraw/zinc/45/00/06/1066450006.db2.gz DASKLLJGGDSKFE-VXGBXAGGSA-N 1 3 324.296 2.005 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC001576311516 1066557776 /nfs/dbraw/zinc/55/77/76/1066557776.db2.gz QZUQQHFICWVQIL-ATLSCFEFSA-N 1 3 315.461 2.184 20 0 DEADHO CC1(NC(=O)c2ccc(NC3=NCCC3)cc2)CC[NH2+]CC1 ZINC001576541369 1066632159 /nfs/dbraw/zinc/63/21/59/1066632159.db2.gz GXTRPPPBHQMGCT-UHFFFAOYSA-N 1 3 300.406 2.163 20 0 DEADHO C[C@@H]1CCN(C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@H]1C[NH3+] ZINC001576729652 1066673070 /nfs/dbraw/zinc/67/30/70/1066673070.db2.gz UOXMPICCDFBQCO-QLFBSQMISA-N 1 3 311.470 2.160 20 0 DEADHO C[C@@H]1CC[N@H+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@H]1CN ZINC001576729652 1066673072 /nfs/dbraw/zinc/67/30/72/1066673072.db2.gz UOXMPICCDFBQCO-QLFBSQMISA-N 1 3 311.470 2.160 20 0 DEADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@H]1CN ZINC001576729652 1066673073 /nfs/dbraw/zinc/67/30/73/1066673073.db2.gz UOXMPICCDFBQCO-QLFBSQMISA-N 1 3 311.470 2.160 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]C/C=C/Cl ZINC001498504603 1066750472 /nfs/dbraw/zinc/75/04/72/1066750472.db2.gz OJTQMCSCOAUIHS-OVPGCVMQSA-N 1 3 315.889 2.344 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]C/C=C\Cl ZINC001498504602 1066750689 /nfs/dbraw/zinc/75/06/89/1066750689.db2.gz OJTQMCSCOAUIHS-AJNJCKRNSA-N 1 3 315.889 2.344 20 0 DEADHO CN(C)C1(C(=O)N(C)CCC[NH2+]CC2=CCCCC2)CCC1 ZINC001498560688 1066778633 /nfs/dbraw/zinc/77/86/33/1066778633.db2.gz STZYOJSAWYOFNK-UHFFFAOYSA-N 1 3 307.482 2.409 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)CCC[NH2+]CCc2cccs2)C1 ZINC001498613345 1066803746 /nfs/dbraw/zinc/80/37/46/1066803746.db2.gz QHWOAIOZFRSPAE-OAHLLOKOSA-N 1 3 323.506 2.071 20 0 DEADHO CCN(C(=O)C[C@H]1NCc2ccccc21)[C@H]1CC[N@H+](CC)C1 ZINC001577763848 1066923309 /nfs/dbraw/zinc/92/33/09/1066923309.db2.gz KYHXSNOULGIQFG-DOTOQJQBSA-N 1 3 301.434 2.164 20 0 DEADHO CCN(C(=O)C[C@H]1NCc2ccccc21)[C@H]1CC[N@@H+](CC)C1 ZINC001577763848 1066923316 /nfs/dbraw/zinc/92/33/16/1066923316.db2.gz KYHXSNOULGIQFG-DOTOQJQBSA-N 1 3 301.434 2.164 20 0 DEADHO CCN(C(=O)C[C@@H]1NCc2ccccc21)[C@@H]1CC[N@H+](CC)C1 ZINC001577763851 1066923504 /nfs/dbraw/zinc/92/35/04/1066923504.db2.gz KYHXSNOULGIQFG-WBVHZDCISA-N 1 3 301.434 2.164 20 0 DEADHO CCN(C(=O)C[C@@H]1NCc2ccccc21)[C@@H]1CC[N@@H+](CC)C1 ZINC001577763851 1066923514 /nfs/dbraw/zinc/92/35/14/1066923514.db2.gz KYHXSNOULGIQFG-WBVHZDCISA-N 1 3 301.434 2.164 20 0 DEADHO C[NH+](C)CCCC(=O)NC[C@H]1CCN1[C@H]1CCc2ccccc21 ZINC001499047996 1067054007 /nfs/dbraw/zinc/05/40/07/1067054007.db2.gz NIYAPXJXUHTPPM-AEFFLSMTSA-N 1 3 315.461 2.206 20 0 DEADHO C[NH+](C)[C@@H]1C[C@H](NC(=O)C[C@@H](N)c2ccccc2)C12CCC2 ZINC001578411211 1067088812 /nfs/dbraw/zinc/08/88/12/1067088812.db2.gz RARKJXBICJVLPB-OWCLPIDISA-N 1 3 301.434 2.066 20 0 DEADHO Cn1c(C(=O)NC[C@@H]2CCCCN2C)ccc1[C@@H]1CCCC[NH2+]1 ZINC001578529462 1067125919 /nfs/dbraw/zinc/12/59/19/1067125919.db2.gz VKDPRXIWJOUHQI-GJZGRUSLSA-N 1 3 318.465 2.054 20 0 DEADHO C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001578674528 1067148325 /nfs/dbraw/zinc/14/83/25/1067148325.db2.gz BMZLMXHFRDKAMQ-YOEHRIQHSA-N 1 3 313.461 2.190 20 0 DEADHO COc1cc(CN(C)C)ccc1NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC001579150361 1067243970 /nfs/dbraw/zinc/24/39/70/1067243970.db2.gz HVYJKOITJHDVOD-CQSZACIVSA-N 1 3 305.422 2.085 20 0 DEADHO C[C@H]1[NH2+]CCC[C@H]1N[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001579499433 1067355066 /nfs/dbraw/zinc/35/50/66/1067355066.db2.gz QAPMSQBXGJCNQE-KBUPBQIOSA-N 1 3 311.470 2.410 20 0 DEADHO Cc1c(C(=O)NCC2([NH+](C)C)CCCCCC2)cc(CN)n1C ZINC001579524906 1067360203 /nfs/dbraw/zinc/36/02/03/1067360203.db2.gz IFUGWOYQUWNYQO-UHFFFAOYSA-N 1 3 320.481 2.177 20 0 DEADHO Cc1c(C[C@H](CN)C[NH2+][C@H]2C[C@H](c3ccccc3)C2)cnn1C ZINC001579530740 1067361876 /nfs/dbraw/zinc/36/18/76/1067361876.db2.gz XHXREWRHJIYWDP-SZVBFZGTSA-N 1 3 312.461 2.382 20 0 DEADHO Cn1ccc(-c2nc(CNC[C@H]3CCC[NH2+]CC3)cs2)n1 ZINC001579971035 1067464447 /nfs/dbraw/zinc/46/44/47/1067464447.db2.gz JATBJPRMJLMWBX-LBPRGKRZSA-N 1 3 305.451 2.023 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCc1nc(-c2ccccc2)no1 ZINC001580262417 1067545737 /nfs/dbraw/zinc/54/57/37/1067545737.db2.gz ULPJWRFYKUNJOE-GJZGRUSLSA-N 1 3 300.406 2.386 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCc1nc(-c2ccccc2)no1 ZINC001580262419 1067546088 /nfs/dbraw/zinc/54/60/88/1067546088.db2.gz ULPJWRFYKUNJOE-LSDHHAIUSA-N 1 3 300.406 2.386 20 0 DEADHO CCc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCCN2C)cc1 ZINC001483484620 1078561000 /nfs/dbraw/zinc/56/10/00/1078561000.db2.gz QSQQJRHEMZFDHS-GOSISDBHSA-N 1 3 317.477 2.281 20 0 DEADHO Cc1ccc(C[NH2+]CCCN(C)C(=O)CN2CCCC2)cc1C ZINC001483508813 1078575754 /nfs/dbraw/zinc/57/57/54/1078575754.db2.gz BEFMGWFFWNQYKK-UHFFFAOYSA-N 1 3 317.477 2.337 20 0 DEADHO CN(C)C1(C(=O)N(C)[C@@H](C[NH2+]C/C=C/Cl)C2CC2)CCC1 ZINC001571361513 1068247962 /nfs/dbraw/zinc/24/79/62/1068247962.db2.gz PXDUAIQMEWWHMH-SEIPJRMCSA-N 1 3 313.873 2.050 20 0 DEADHO C[C@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001496155337 1078760879 /nfs/dbraw/zinc/76/08/79/1078760879.db2.gz TWKJYVAVTKTOJO-JKSUJKDBSA-N 1 3 307.482 2.265 20 0 DEADHO COc1ccc(COCCN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)cc1 ZINC001644099644 1078829543 /nfs/dbraw/zinc/82/95/43/1078829543.db2.gz YPHJHLBUBMALHV-SJORKVTESA-N 1 3 304.434 2.095 20 0 DEADHO COc1ccc(COCCN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)cc1 ZINC001644099644 1078829549 /nfs/dbraw/zinc/82/95/49/1078829549.db2.gz YPHJHLBUBMALHV-SJORKVTESA-N 1 3 304.434 2.095 20 0 DEADHO CC[NH+](CC)CC[C@H](C)NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC001521451764 1069242932 /nfs/dbraw/zinc/24/29/32/1069242932.db2.gz AIEQGUOJWRXWML-GJZGRUSLSA-N 1 3 310.486 2.056 20 0 DEADHO CC(C)=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001272465812 1078899291 /nfs/dbraw/zinc/89/92/91/1078899291.db2.gz LDXGXOJEVLVYCV-IRXDYDNUSA-N 1 3 309.498 2.367 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[NH2+]CC[C@@H]1CCCC1(F)F ZINC001267474265 1078896244 /nfs/dbraw/zinc/89/62/44/1078896244.db2.gz OHEGCXGEFCLYEJ-AWEZNQCLSA-N 1 3 319.440 2.200 20 0 DEADHO CCCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001267485197 1078909771 /nfs/dbraw/zinc/90/97/71/1078909771.db2.gz SNKSMRVYWCWOFS-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(CCF)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001267510573 1078940093 /nfs/dbraw/zinc/94/00/93/1078940093.db2.gz VGWKMEQYPXPGOB-CVEARBPZSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)N(CCF)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001267510573 1078940098 /nfs/dbraw/zinc/94/00/98/1078940098.db2.gz VGWKMEQYPXPGOB-CVEARBPZSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]CCC1CCCC1 ZINC001369250638 1148882035 /nfs/dbraw/zinc/88/20/35/1148882035.db2.gz JUYZFGNQSVGUEA-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO c1nc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc2c1OCO2 ZINC001549039049 1072992066 /nfs/dbraw/zinc/99/20/66/1072992066.db2.gz KVAVCVBVFXSYMY-KGLIPLIRSA-N 1 3 303.406 2.022 20 0 DEADHO c1nc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)cc2c1OCO2 ZINC001549180383 1073052231 /nfs/dbraw/zinc/05/22/31/1073052231.db2.gz ZAOUSRSURANRHQ-CQSZACIVSA-N 1 3 303.406 2.022 20 0 DEADHO Cn1ccnc1[C@H]1OCC[C@@H]1C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC001549192407 1073065097 /nfs/dbraw/zinc/06/50/97/1073065097.db2.gz BFMJTBPYFKYBIL-ZBFHGGJFSA-N 1 3 320.481 2.350 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCC3CC3)C2)C1 ZINC001368639819 1148543619 /nfs/dbraw/zinc/54/36/19/1148543619.db2.gz DKANXGJAOUGRAM-BHYGNILZSA-N 1 3 307.482 2.003 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CCCC[NH2+]C3)C2)cc1 ZINC001550101507 1073427352 /nfs/dbraw/zinc/42/73/52/1073427352.db2.gz SUWAJHYRVJMVMQ-QZTJIDSGSA-N 1 3 315.461 2.075 20 0 DEADHO CN(C)c1ncccc1CN1CCC2(CC1)CC[NH+](C)CC2 ZINC001550125924 1073442008 /nfs/dbraw/zinc/44/20/08/1073442008.db2.gz GYUJLVABMPVIRG-UHFFFAOYSA-N 1 3 302.466 2.455 20 0 DEADHO CCCN1CCCC[C@H]1C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC001646121228 1079109348 /nfs/dbraw/zinc/10/93/48/1079109348.db2.gz YGZYPQASLPYLAO-SFHVURJKSA-N 1 3 315.461 2.213 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1([NH2+]CC2=CCCCC2)CC1)N(C)C ZINC001483785253 1079119335 /nfs/dbraw/zinc/11/93/35/1079119335.db2.gz BDCGENPWSRAHND-INIZCTEOSA-N 1 3 307.482 2.311 20 0 DEADHO O=C(CC[NH+]1CCCCC1)NCC1(NCCC(F)(F)F)CC1 ZINC001483793861 1079124298 /nfs/dbraw/zinc/12/42/98/1079124298.db2.gz AYBJZJDWFPCMGK-UHFFFAOYSA-N 1 3 321.387 2.053 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CCC[N@@H+]1CCC1CC1)N1CCCC1 ZINC001481051799 1079129926 /nfs/dbraw/zinc/12/99/26/1079129926.db2.gz HMLDJKHLAOQEBA-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CCC[N@H+]1CCC1CC1)N1CCCC1 ZINC001481051799 1079129933 /nfs/dbraw/zinc/12/99/33/1079129933.db2.gz HMLDJKHLAOQEBA-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([NH+](CC2CC2)CC2CC2)CC1 ZINC001483818548 1079131643 /nfs/dbraw/zinc/13/16/43/1079131643.db2.gz OFKXXODMKKKKPV-UHFFFAOYSA-N 1 3 321.509 2.440 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@@H]1CCCN1Cc1ccc(CF)cc1 ZINC001481055511 1079134348 /nfs/dbraw/zinc/13/43/48/1079134348.db2.gz HQBABZKLVKCFLP-KRWDZBQOSA-N 1 3 321.440 2.188 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NCc1ccc(Cl)nc1)[C@@H](O)C2 ZINC001550422469 1073647071 /nfs/dbraw/zinc/64/70/71/1073647071.db2.gz WROUEZQCXIYVPZ-OHFALNGGSA-N 1 3 323.868 2.304 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NCc1ccc(Cl)nc1)[C@@H](O)C2 ZINC001550422469 1073647079 /nfs/dbraw/zinc/64/70/79/1073647079.db2.gz WROUEZQCXIYVPZ-OHFALNGGSA-N 1 3 323.868 2.304 20 0 DEADHO COc1ccccc1CN[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@@H]1O ZINC001550424073 1073649099 /nfs/dbraw/zinc/64/90/99/1073649099.db2.gz XTGKHNJUKFOOFB-JFRXWTBNSA-N 1 3 318.461 2.265 20 0 DEADHO COc1ccccc1CN[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@@H]1O ZINC001550424073 1073649104 /nfs/dbraw/zinc/64/91/04/1073649104.db2.gz XTGKHNJUKFOOFB-JFRXWTBNSA-N 1 3 318.461 2.265 20 0 DEADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3ccc(F)nc3)C2)[C@@H]1C(C)C ZINC001550423285 1073649752 /nfs/dbraw/zinc/64/97/52/1073649752.db2.gz KSFGXZQQMLHWBV-LAQRGFTBSA-N 1 3 321.440 2.180 20 0 DEADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3ccc(F)nc3)C2)[C@@H]1C(C)C ZINC001550423285 1073649756 /nfs/dbraw/zinc/64/97/56/1073649756.db2.gz KSFGXZQQMLHWBV-LAQRGFTBSA-N 1 3 321.440 2.180 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccsc2)C1)N(C)C ZINC001368642353 1148544822 /nfs/dbraw/zinc/54/48/22/1148544822.db2.gz YCCOARWVVGUZIG-NUEKZKHPSA-N 1 3 323.506 2.463 20 0 DEADHO Cn1ccnc1[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCCN[C@H]3C2(C)C)CCO1 ZINC001550474155 1073670726 /nfs/dbraw/zinc/67/07/26/1073670726.db2.gz UFRSTSDFHHBFRZ-LYYZXLFJSA-N 1 3 318.465 2.006 20 0 DEADHO Cn1ccnc1[C@@H]1C[C@H](N[C@@H]2[C@H]3CCC[NH2+][C@H]3C2(C)C)CCO1 ZINC001550474155 1073670740 /nfs/dbraw/zinc/67/07/40/1073670740.db2.gz UFRSTSDFHHBFRZ-LYYZXLFJSA-N 1 3 318.465 2.006 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCC1)N1CCCC1 ZINC001481072110 1079150541 /nfs/dbraw/zinc/15/05/41/1079150541.db2.gz VTSZTGPOOWJENT-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1CCC1)N1CCCC1 ZINC001481072110 1079150546 /nfs/dbraw/zinc/15/05/46/1079150546.db2.gz VTSZTGPOOWJENT-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[N@H+](CC3CCCCC3)C2)C1 ZINC001481111957 1079195771 /nfs/dbraw/zinc/19/57/71/1079195771.db2.gz MEZSTGFIZDBUGY-FUHWJXTLSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001481111957 1079195775 /nfs/dbraw/zinc/19/57/75/1079195775.db2.gz MEZSTGFIZDBUGY-FUHWJXTLSA-N 1 3 321.509 2.347 20 0 DEADHO CN1CCN(Cc2cccc(C[NH2+]C[C@H]3CCC=CO3)c2)CC1 ZINC001649775223 1079207924 /nfs/dbraw/zinc/20/79/24/1079207924.db2.gz IVPSYRPAGLVEPD-LJQANCHMSA-N 1 3 315.461 2.216 20 0 DEADHO CN(C)Cc1cnc(CN2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)s1 ZINC001551258551 1074137616 /nfs/dbraw/zinc/13/76/16/1074137616.db2.gz DIXMNWGLNDTMBM-RRFJBIMHSA-N 1 3 322.522 2.367 20 0 DEADHO Cc1cc([C@H](C)[NH2+]C2CCC(C)(N3CCOCC3)CC2)n(C)n1 ZINC001551400131 1074206220 /nfs/dbraw/zinc/20/62/20/1074206220.db2.gz NEEVCXUBQUMVHW-HJOIGYKYSA-N 1 3 320.481 2.413 20 0 DEADHO C[C@@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)c1cc[nH]c(=O)c1 ZINC001551402319 1074206939 /nfs/dbraw/zinc/20/69/39/1074206939.db2.gz ULKARZJDWRRNBB-MXWWQKGMSA-N 1 3 319.449 2.471 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC001551422673 1074212620 /nfs/dbraw/zinc/21/26/20/1074212620.db2.gz LVJBJGKZFHPJIX-GVDBMIGSSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H]1CN(C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)[C@H](C)CN1 ZINC001551482430 1074236628 /nfs/dbraw/zinc/23/66/28/1074236628.db2.gz XPDGPMJXPXPBMI-RSIVFMTNSA-N 1 3 322.497 2.175 20 0 DEADHO CC[NH+](CC)CCC[C@H](C)NCc1ccc(S(C)(=O)=O)o1 ZINC001649839236 1079254154 /nfs/dbraw/zinc/25/41/54/1079254154.db2.gz YQAKZMSHSGUTPJ-ZDUSSCGKSA-N 1 3 316.467 2.283 20 0 DEADHO CCCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1csc(C)c1 ZINC001481154286 1079262510 /nfs/dbraw/zinc/26/25/10/1079262510.db2.gz QWOGCPRMBAOXGM-INIZCTEOSA-N 1 3 323.506 2.336 20 0 DEADHO CCCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1csc(C)c1 ZINC001481154286 1079262523 /nfs/dbraw/zinc/26/25/23/1079262523.db2.gz QWOGCPRMBAOXGM-INIZCTEOSA-N 1 3 323.506 2.336 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC001646617541 1074503491 /nfs/dbraw/zinc/50/34/91/1074503491.db2.gz CUJNQKOWMRZYIA-IAGOWNOFSA-N 1 3 303.450 2.280 20 0 DEADHO O=C(c1cc2c(s1)CNCC2)N1CCC[C@H]1C[NH+]1CCCC1 ZINC001646740343 1074590841 /nfs/dbraw/zinc/59/08/41/1074590841.db2.gz LWQQRNJPGFFEOJ-AWEZNQCLSA-N 1 3 319.474 2.094 20 0 DEADHO O[C@@H]1CCN(C2CC[NH+](Cc3cccc4ccoc43)CC2)C1 ZINC001649893358 1079291360 /nfs/dbraw/zinc/29/13/60/1079291360.db2.gz QWNMSEQZKUCWED-QGZVFWFLSA-N 1 3 300.402 2.464 20 0 DEADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCCO[C@@H]2c2cnn(C)c2)C1 ZINC001552525068 1074595805 /nfs/dbraw/zinc/59/58/05/1074595805.db2.gz DQROZYSJEZWVTI-BQFCYCMXSA-N 1 3 320.481 2.161 20 0 DEADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCO[C@@H]2c2cnn(C)c2)C1 ZINC001552525068 1074595809 /nfs/dbraw/zinc/59/58/09/1074595809.db2.gz DQROZYSJEZWVTI-BQFCYCMXSA-N 1 3 320.481 2.161 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C[C@@H]2CCCO[C@@H]2c2cnn(C)c2)C1 ZINC001552525068 1074595812 /nfs/dbraw/zinc/59/58/12/1074595812.db2.gz DQROZYSJEZWVTI-BQFCYCMXSA-N 1 3 320.481 2.161 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@@H]2CCCO[C@@H]2c2cnn(C)c2)C1 ZINC001552525068 1074595817 /nfs/dbraw/zinc/59/58/17/1074595817.db2.gz DQROZYSJEZWVTI-BQFCYCMXSA-N 1 3 320.481 2.161 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)C[C@H]([NH3+])C(C)(C)C)C2)cc1 ZINC001646777360 1074614230 /nfs/dbraw/zinc/61/42/30/1074614230.db2.gz KUXYRQFPNBIUMX-IRXDYDNUSA-N 1 3 317.477 2.449 20 0 DEADHO O=C(Nc1cccc2c1CNC2)C1(C(F)(F)F)CC[NH2+]CC1 ZINC001646784861 1074617278 /nfs/dbraw/zinc/61/72/78/1074617278.db2.gz OMLXHKJHLZIAAP-UHFFFAOYSA-N 1 3 313.323 2.160 20 0 DEADHO CCCCC[NH2+]C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001566895522 1075376839 /nfs/dbraw/zinc/37/68/39/1075376839.db2.gz JVZWYUWCPMCWRB-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]C/C=C\Cl)N(C)C ZINC001566940734 1075394259 /nfs/dbraw/zinc/39/42/59/1075394259.db2.gz PRGWSIJUTOCFRX-MJYKILKPSA-N 1 3 315.889 2.296 20 0 DEADHO CC(C)CCC[NH2+]C[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001567141333 1075442399 /nfs/dbraw/zinc/44/23/99/1075442399.db2.gz ZFZKBOFEPFMTFY-DLBZAZTESA-N 1 3 309.498 2.203 20 0 DEADHO [NH3+]CCCNCc1c[nH]nc1-c1ccc(Br)s1 ZINC001580298616 1075897077 /nfs/dbraw/zinc/89/70/77/1075897077.db2.gz QPQKDOBZHQQHDY-UHFFFAOYSA-N 1 3 315.240 2.339 20 0 DEADHO O=C(CCN1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)Nc1cccnc1 ZINC001580534072 1075946550 /nfs/dbraw/zinc/94/65/50/1075946550.db2.gz NCIYMIKQCAKCAV-WBVHZDCISA-N 1 3 316.449 2.264 20 0 DEADHO CC[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001590464406 1076632627 /nfs/dbraw/zinc/63/26/27/1076632627.db2.gz CMPTVAKBNLHQMX-MRXNPFEDSA-N 1 3 314.437 2.249 20 0 DEADHO CC[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001590464406 1076632628 /nfs/dbraw/zinc/63/26/28/1076632628.db2.gz CMPTVAKBNLHQMX-MRXNPFEDSA-N 1 3 314.437 2.249 20 0 DEADHO CC(C)CC[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001484369896 1079567556 /nfs/dbraw/zinc/56/75/56/1079567556.db2.gz ULVJMFVZLVMCAR-CVEARBPZSA-N 1 3 309.498 2.201 20 0 DEADHO CCC[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001484385321 1079577442 /nfs/dbraw/zinc/57/74/42/1079577442.db2.gz YDESOKKSIYFQDG-MAUKXSAKSA-N 1 3 317.477 2.456 20 0 DEADHO C[C@@H](C(=O)NCC1([NH2+]CC2CC2)CCC1)N1CCCCCC1 ZINC001484652593 1079709413 /nfs/dbraw/zinc/70/94/13/1079709413.db2.gz GZCDNSVYPVALLU-HNNXBMFYSA-N 1 3 307.482 2.289 20 0 DEADHO CC(C)=CCN[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001481372010 1079763920 /nfs/dbraw/zinc/76/39/20/1079763920.db2.gz IVCZESKMEVTZOB-MSOLQXFVSA-N 1 3 315.461 2.351 20 0 DEADHO CC(C)=CCN[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001481372010 1079763923 /nfs/dbraw/zinc/76/39/23/1079763923.db2.gz IVCZESKMEVTZOB-MSOLQXFVSA-N 1 3 315.461 2.351 20 0 DEADHO CCCN(C)CC(=O)N1CCC(CC)([NH2+]CC2CCC2)CC1 ZINC001484818858 1079811755 /nfs/dbraw/zinc/81/17/55/1079811755.db2.gz CXPQMFLZQZIARN-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO c1ccc(N2CCOCC2)c(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000066972326 1079867118 /nfs/dbraw/zinc/86/71/18/1079867118.db2.gz TZRHEVPQFCOOHT-INIZCTEOSA-N 1 3 315.461 2.097 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1CCN(CCF)C1 ZINC001481449646 1079869876 /nfs/dbraw/zinc/86/98/76/1079869876.db2.gz GLEHDVIPJDUVGL-HZPDHXFCSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1CCN(CCF)C1 ZINC001481449646 1079869881 /nfs/dbraw/zinc/86/98/81/1079869881.db2.gz GLEHDVIPJDUVGL-HZPDHXFCSA-N 1 3 313.461 2.047 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001481462567 1079909555 /nfs/dbraw/zinc/90/95/55/1079909555.db2.gz SZYYUIHSBGHEAB-ROUUACIJSA-N 1 3 321.509 2.489 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001481462567 1079909562 /nfs/dbraw/zinc/90/95/62/1079909562.db2.gz SZYYUIHSBGHEAB-ROUUACIJSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000982011643 1080183346 /nfs/dbraw/zinc/18/33/46/1080183346.db2.gz HCZKTYGLVXNJOJ-SJORKVTESA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000982011643 1080183348 /nfs/dbraw/zinc/18/33/48/1080183348.db2.gz HCZKTYGLVXNJOJ-SJORKVTESA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H](CCNC[C@H](CC(F)F)NC(=O)OC(C)(C)C)[NH+](C)C ZINC001657744551 1080185546 /nfs/dbraw/zinc/18/55/46/1080185546.db2.gz POEPXPOCLLFTIU-RYUDHWBXSA-N 1 3 323.428 2.465 20 0 DEADHO C[C@@H](CC[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)N(C)C ZINC001657744551 1080185549 /nfs/dbraw/zinc/18/55/49/1080185549.db2.gz POEPXPOCLLFTIU-RYUDHWBXSA-N 1 3 323.428 2.465 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)CC[C@@H]([NH2+]CCF)C(C)C ZINC001485441884 1080209269 /nfs/dbraw/zinc/20/92/69/1080209269.db2.gz WYSDXZAHPUIUEK-CVEARBPZSA-N 1 3 315.477 2.293 20 0 DEADHO CCN(C/C=C\Cl)CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001660576937 1080360984 /nfs/dbraw/zinc/36/09/84/1080360984.db2.gz RVHNXWPIVVKTCL-PYMSSDGJSA-N 1 3 315.889 2.297 20 0 DEADHO CCN(C/C=C\Cl)CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001660576937 1080360991 /nfs/dbraw/zinc/36/09/91/1080360991.db2.gz RVHNXWPIVVKTCL-PYMSSDGJSA-N 1 3 315.889 2.297 20 0 DEADHO CC[N@H+](CCCNC(=O)CN1CC[C@H](C)C1)CC1CCCC1 ZINC001660588716 1080363487 /nfs/dbraw/zinc/36/34/87/1080363487.db2.gz BUSYWNFGRBATNP-INIZCTEOSA-N 1 3 309.498 2.347 20 0 DEADHO CC[N@@H+](CCCNC(=O)CN1CC[C@H](C)C1)CC1CCCC1 ZINC001660588716 1080363491 /nfs/dbraw/zinc/36/34/91/1080363491.db2.gz BUSYWNFGRBATNP-INIZCTEOSA-N 1 3 309.498 2.347 20 0 DEADHO CC(C)=CC[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001662861594 1080667684 /nfs/dbraw/zinc/66/76/84/1080667684.db2.gz BSKLXRXTSYSEAD-DLBZAZTESA-N 1 3 307.482 2.217 20 0 DEADHO CC(C)=CC[N@H+](C)[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001662861594 1080667689 /nfs/dbraw/zinc/66/76/89/1080667689.db2.gz BSKLXRXTSYSEAD-DLBZAZTESA-N 1 3 307.482 2.217 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NC[C@H]1CCC[N@@H+]1CC=C(C)C ZINC001663497540 1080757014 /nfs/dbraw/zinc/75/70/14/1080757014.db2.gz FIOIZQZYNAPKQW-CVEARBPZSA-N 1 3 313.461 2.213 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NC[C@H]1CCC[N@H+]1CC=C(C)C ZINC001663497540 1080757021 /nfs/dbraw/zinc/75/70/21/1080757021.db2.gz FIOIZQZYNAPKQW-CVEARBPZSA-N 1 3 313.461 2.213 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1CCC[N@@H+]1CC=C(C)C ZINC001663497543 1080757131 /nfs/dbraw/zinc/75/71/31/1080757131.db2.gz FIOIZQZYNAPKQW-JKSUJKDBSA-N 1 3 313.461 2.213 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1CCC[N@H+]1CC=C(C)C ZINC001663497543 1080757142 /nfs/dbraw/zinc/75/71/42/1080757142.db2.gz FIOIZQZYNAPKQW-JKSUJKDBSA-N 1 3 313.461 2.213 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CCc1ccccc1F)N(C)C ZINC001268712469 1080947257 /nfs/dbraw/zinc/94/72/57/1080947257.db2.gz XGJKUMQXHRJGAG-YOEHRIQHSA-N 1 3 323.456 2.049 20 0 DEADHO C[NH+]1CCC(C(=O)N2CCN(CC3CCCCCC3)CC2)CC1 ZINC000950006827 1081250393 /nfs/dbraw/zinc/25/03/93/1081250393.db2.gz JLLZSJYMAIVBCO-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CC[C@@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCCF ZINC001269470982 1081258377 /nfs/dbraw/zinc/25/83/77/1081258377.db2.gz CWGWZWDZMRQAGQ-XJKSGUPXSA-N 1 3 319.440 2.043 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)NC[C@H]1CCCCN1C ZINC001668301041 1081338752 /nfs/dbraw/zinc/33/87/52/1081338752.db2.gz ATUVHTGRYHHNHT-MRXNPFEDSA-N 1 3 312.502 2.282 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)CC[NH2+]CC=C(Cl)Cl ZINC001668321050 1081340779 /nfs/dbraw/zinc/34/07/79/1081340779.db2.gz WAKUSDZAJQYRRC-LLVKDONJSA-N 1 3 310.269 2.130 20 0 DEADHO CCc1ccccc1C[NH2+]CCN(CC)C(=O)CN1CCCC1 ZINC001668645202 1081375838 /nfs/dbraw/zinc/37/58/38/1081375838.db2.gz KMHKLBRNOOAORV-UHFFFAOYSA-N 1 3 317.477 2.283 20 0 DEADHO CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1ccccc1C)N(C)C ZINC001668883984 1081407112 /nfs/dbraw/zinc/40/71/12/1081407112.db2.gz WOEIJHCOAPFZSB-XZVRFQMRSA-N 1 3 303.450 2.097 20 0 DEADHO CCC[N@H+](C)[C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001422562062 1081571144 /nfs/dbraw/zinc/57/11/44/1081571144.db2.gz NDIMJIBCKBCROP-CZUORRHYSA-N 1 3 301.450 2.045 20 0 DEADHO CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001422562062 1081571148 /nfs/dbraw/zinc/57/11/48/1081571148.db2.gz NDIMJIBCKBCROP-CZUORRHYSA-N 1 3 301.450 2.045 20 0 DEADHO CCCCC[NH+]1CCC2(CN(C(=O)CN(C)CCC)C2)CC1 ZINC001673021069 1081731350 /nfs/dbraw/zinc/73/13/50/1081731350.db2.gz JJEWUCXCXRGMRK-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO C[C@@H](C[NH2+]CCc1cccs1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001270985057 1081864947 /nfs/dbraw/zinc/86/49/47/1081864947.db2.gz DEUODWWZTAHGNJ-AWEZNQCLSA-N 1 3 323.506 2.211 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2CC[NH2+]CCC2CC2)C1 ZINC001482456487 1081906582 /nfs/dbraw/zinc/90/65/82/1081906582.db2.gz OCZNYBADIWINJW-AEFFLSMTSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)CCc2cccs2)CC[N@@H+]1C ZINC001480865976 1081947861 /nfs/dbraw/zinc/94/78/61/1081947861.db2.gz QXSWDDNSPYIEFD-JKSUJKDBSA-N 1 3 323.506 2.069 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)CCc2cccs2)CC[N@H+]1C ZINC001480865976 1081947864 /nfs/dbraw/zinc/94/78/64/1081947864.db2.gz QXSWDDNSPYIEFD-JKSUJKDBSA-N 1 3 323.506 2.069 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)c2cc3c(s2)CNCC3)CC1 ZINC001648964208 1081959296 /nfs/dbraw/zinc/95/92/96/1081959296.db2.gz KDZVMWCEMDTTBJ-UHFFFAOYSA-N 1 3 321.490 2.244 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCc1cccs1)N(C)C ZINC001271170156 1081972635 /nfs/dbraw/zinc/97/26/35/1081972635.db2.gz HOHFFSJXKTWXCR-HIFRSBDPSA-N 1 3 311.495 2.067 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC001648969315 1081973160 /nfs/dbraw/zinc/97/31/60/1081973160.db2.gz NSCHIWYBBYVYEE-REEYDVFISA-N 1 3 313.445 2.079 20 0 DEADHO CCCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001266379480 1082009047 /nfs/dbraw/zinc/00/90/47/1082009047.db2.gz IENARKLQTUKJLN-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CCOC(=O)CC[NH+]1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000705886271 1082034467 /nfs/dbraw/zinc/03/44/67/1082034467.db2.gz IOEMOHRKBDNQNY-IAGOWNOFSA-N 1 3 302.418 2.003 20 0 DEADHO O=C(CCCC[NH+]1CCCC1)N1CC[C@H](NC/C=C\Cl)C1 ZINC001266569720 1082165780 /nfs/dbraw/zinc/16/57/80/1082165780.db2.gz JRYVIJFATWLFDR-KKTNHOPESA-N 1 3 313.873 2.196 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001271930701 1082197873 /nfs/dbraw/zinc/19/78/73/1082197873.db2.gz ABJGUTLRQNQBSN-SJLPKXTDSA-N 1 3 307.482 2.195 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001271930701 1082197874 /nfs/dbraw/zinc/19/78/74/1082197874.db2.gz ABJGUTLRQNQBSN-SJLPKXTDSA-N 1 3 307.482 2.195 20 0 DEADHO CC/C=C\CC[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001671308524 1082258585 /nfs/dbraw/zinc/25/85/85/1082258585.db2.gz HLBFQXVMZYOXNW-CHYADLBTSA-N 1 3 307.482 2.408 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+]C/C=C\CNC(=O)[C@H]2CCCN2C)c1 ZINC001483045442 1082657306 /nfs/dbraw/zinc/65/73/06/1082657306.db2.gz XCJQRZFURJINEU-ZFTGLFDFSA-N 1 3 315.461 2.412 20 0 DEADHO CC(C)[C@H](C(=O)NC/C=C\CNCc1ccsc1)[NH+](C)C ZINC001483057847 1082674229 /nfs/dbraw/zinc/67/42/29/1082674229.db2.gz QWCQTKSKEKCDKP-IYKSTZQJSA-N 1 3 309.479 2.096 20 0 DEADHO CCCN(C)CC(=O)NC1CC(C[NH2+]Cc2csc(C)c2)C1 ZINC001409282663 1082741341 /nfs/dbraw/zinc/74/13/41/1082741341.db2.gz MKNIEBBEXGQJLP-UHFFFAOYSA-N 1 3 323.506 2.383 20 0 DEADHO Cc1cc(C[NH2+]C[C@@H](C)NC(=O)CN2CC[C@@H](C)C2)c(C)s1 ZINC001483166337 1082785207 /nfs/dbraw/zinc/78/52/07/1082785207.db2.gz FIDZMXNWNZZYEN-CHWSQXEVSA-N 1 3 323.506 2.301 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001409359157 1082843878 /nfs/dbraw/zinc/84/38/78/1082843878.db2.gz JTDRDSOKYZUENQ-ZIAGYGMSSA-N 1 3 309.498 2.390 20 0 DEADHO Cc1cc(CN2CC3(C2)CC[N@@H+](CCN(C)C)C3)sc1C ZINC001276527162 1083480814 /nfs/dbraw/zinc/48/08/14/1083480814.db2.gz HQPLSRWJUDLELZ-UHFFFAOYSA-N 1 3 307.507 2.434 20 0 DEADHO Cc1cc(CN2CC3(C2)CC[N@H+](CCN(C)C)C3)sc1C ZINC001276527162 1083480818 /nfs/dbraw/zinc/48/08/18/1083480818.db2.gz HQPLSRWJUDLELZ-UHFFFAOYSA-N 1 3 307.507 2.434 20 0 DEADHO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2Cc1nccc2ccccc21 ZINC001276614792 1083514588 /nfs/dbraw/zinc/51/45/88/1083514588.db2.gz MDNBDYMHQSVWNB-HDICACEKSA-N 1 3 324.472 2.445 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]CCC2=CCCCC2)CC1)N(C)C ZINC001277093930 1083771034 /nfs/dbraw/zinc/77/10/34/1083771034.db2.gz GAKDWAXLUKXCNZ-MRXNPFEDSA-N 1 3 307.482 2.456 20 0 DEADHO CC(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001277092340 1083771228 /nfs/dbraw/zinc/77/12/28/1083771228.db2.gz CAYHIGHDEUNESV-DSPLQEQRSA-N 1 3 309.498 2.390 20 0 DEADHO CN(C)C(=O)[C@H]1CCC[C@@]12CCN(CCC[NH+]1CCCCC1)C2 ZINC001277183725 1083835754 /nfs/dbraw/zinc/83/57/54/1083835754.db2.gz POJBNVREJFQPTC-MJGOQNOKSA-N 1 3 321.509 2.443 20 0 DEADHO CC(C)[C@@H](CNC(=O)N[C@H]1CCN(C)[C@H]1C)[NH+]1CCC(C)CC1 ZINC001413681686 1083850759 /nfs/dbraw/zinc/85/07/59/1083850759.db2.gz HRKFKEZGLULCFI-YESZJQIVSA-N 1 3 324.513 2.135 20 0 DEADHO CC/C=C\CC[NH+]1CC([C@@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001276389120 1083926810 /nfs/dbraw/zinc/92/68/10/1083926810.db2.gz ONIYOBNRIIOXBU-IYKSTZQJSA-N 1 3 307.482 2.264 20 0 DEADHO CC/C=C/CC[NH+]1CC([C@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001276389123 1083926961 /nfs/dbraw/zinc/92/69/61/1083926961.db2.gz ONIYOBNRIIOXBU-NFAHFFEMSA-N 1 3 307.482 2.264 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(F)(F)F ZINC001229230985 1083928396 /nfs/dbraw/zinc/92/83/96/1083928396.db2.gz KVNWYXZVVKKZPA-CHWSQXEVSA-N 1 3 323.403 2.298 20 0 DEADHO CN(CC(=O)N[C@H]1CC[C@H](C[NH2+]CCF)CC1)CC(C)(C)C ZINC001272762624 1083957594 /nfs/dbraw/zinc/95/75/94/1083957594.db2.gz BGQFNKGCSCTZIX-SHTZXODSSA-N 1 3 315.477 2.198 20 0 DEADHO CN1CCN(C(=O)[C@@H]2[NH2+]CC[C@H]3CCCC[C@H]32)CCC1(C)C ZINC001649044384 1084025435 /nfs/dbraw/zinc/02/54/35/1084025435.db2.gz QCPKSBAGIHIIEQ-BZUAXINKSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)=CC[NH2+][C@H](CCNC(=O)CN1CC[C@H](C)C1)C(C)C ZINC001277587707 1084046744 /nfs/dbraw/zinc/04/67/44/1084046744.db2.gz URJBIKORQMZJKH-DLBZAZTESA-N 1 3 309.498 2.415 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001491218584 1084163285 /nfs/dbraw/zinc/16/32/85/1084163285.db2.gz HIYMEKNGMZHUGD-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001491218584 1084163290 /nfs/dbraw/zinc/16/32/90/1084163290.db2.gz HIYMEKNGMZHUGD-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CCCCCCN(C)CC(=O)NCCC[NH2+]CCCOCC ZINC001168614257 1084169264 /nfs/dbraw/zinc/16/92/64/1084169264.db2.gz FSQKVHQOBXXEHR-UHFFFAOYSA-N 1 3 315.502 2.021 20 0 DEADHO CN(C)C1(C(=O)N2CCCC[C@@H]2C[NH2+]C/C=C\Cl)CCC1 ZINC001491251302 1084181560 /nfs/dbraw/zinc/18/15/60/1084181560.db2.gz LLQZAVZKQLJTDY-LBIZBFCRSA-N 1 3 313.873 2.194 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCCc1ccsc1 ZINC001491477592 1084339714 /nfs/dbraw/zinc/33/97/14/1084339714.db2.gz KBBWIDIOOZUPSY-CQSZACIVSA-N 1 3 323.506 2.259 20 0 DEADHO C(c1nc2c(s1)CNCC2)N1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235242101 1084357062 /nfs/dbraw/zinc/35/70/62/1084357062.db2.gz RDYYSYYBLNRCDO-AWEZNQCLSA-N 1 3 320.506 2.143 20 0 DEADHO CC(C)CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C1CC1)N(C)C ZINC001235356665 1084404579 /nfs/dbraw/zinc/40/45/79/1084404579.db2.gz XHBVGWCOUKBGMX-IRXDYDNUSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C1CC1)N(C)C ZINC001235356665 1084404580 /nfs/dbraw/zinc/40/45/80/1084404580.db2.gz XHBVGWCOUKBGMX-IRXDYDNUSA-N 1 3 309.498 2.296 20 0 DEADHO CCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCCN1CC ZINC001485836753 1084454703 /nfs/dbraw/zinc/45/47/03/1084454703.db2.gz HWGREVCCRNSNIJ-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO OCCCCCN1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC001235645663 1084487228 /nfs/dbraw/zinc/48/72/28/1084487228.db2.gz IVWQXITZTWXAEE-UHFFFAOYSA-N 1 3 320.481 2.284 20 0 DEADHO Brc1cccc([C@@H]2CN(C[C@@H]3CC[NH2+]C3)CCN2)c1 ZINC001235795740 1084532003 /nfs/dbraw/zinc/53/20/03/1084532003.db2.gz PPVOCWLTVLWNOB-DOMZBBRYSA-N 1 3 324.266 2.005 20 0 DEADHO C[C@@H]1CNCC(F)(F)[C@@H]1CN1CC[NH2+][C@H](c2ccccc2)C1 ZINC001235859265 1084553124 /nfs/dbraw/zinc/55/31/24/1084553124.db2.gz MBJSNRVWSHAKOS-BMFZPTHFSA-N 1 3 309.404 2.124 20 0 DEADHO F[C@@H]1CNCC[C@H]1N(Cc1ccccc1)CC1(F)CC[NH2+]CC1 ZINC001235938144 1084569483 /nfs/dbraw/zinc/56/94/83/1084569483.db2.gz XHILVSADCFKYFL-IAGOWNOFSA-N 1 3 323.431 2.280 20 0 DEADHO [NH3+]C1CN([C@@H]2CCCN(Cc3cccc4[nH]cc(Cl)c43)C2)C1 ZINC001236074132 1084605079 /nfs/dbraw/zinc/60/50/79/1084605079.db2.gz VIMICFFGDWYAAA-CQSZACIVSA-N 1 3 318.852 2.429 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C)[C@H]1C ZINC001486093537 1085055740 /nfs/dbraw/zinc/05/57/40/1085055740.db2.gz XVMVAMRVLJUHQB-AEFFLSMTSA-N 1 3 317.477 2.416 20 0 DEADHO CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCN1C(C)C ZINC000960262608 1085171077 /nfs/dbraw/zinc/17/10/77/1085171077.db2.gz OBMKZXWVXBUPTG-FGTMMUONSA-N 1 3 315.461 2.251 20 0 DEADHO C[N@H+](CC1CC1)C[C@H]1CCCN1C(=O)CN1CCC(C)(C)C1 ZINC000960864641 1085487978 /nfs/dbraw/zinc/48/79/78/1085487978.db2.gz OQDGECFIVPGTBD-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO C[N@@H+](CC1CC1)C[C@H]1CCCN1C(=O)CN1CCC(C)(C)C1 ZINC000960864641 1085487981 /nfs/dbraw/zinc/48/79/81/1085487981.db2.gz OQDGECFIVPGTBD-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961185777 1085627743 /nfs/dbraw/zinc/62/77/43/1085627743.db2.gz QCEGTEDQECQLEM-IAGOWNOFSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961185777 1085627749 /nfs/dbraw/zinc/62/77/49/1085627749.db2.gz QCEGTEDQECQLEM-IAGOWNOFSA-N 1 3 321.509 2.440 20 0 DEADHO CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961182302 1085628682 /nfs/dbraw/zinc/62/86/82/1085628682.db2.gz LBGYJNADXBXVCA-DLBZAZTESA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961182302 1085628689 /nfs/dbraw/zinc/62/86/89/1085628689.db2.gz LBGYJNADXBXVCA-DLBZAZTESA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961441067 1085734762 /nfs/dbraw/zinc/73/47/62/1085734762.db2.gz MYYKPBMOLDGIEI-QGZVFWFLSA-N 1 3 307.482 2.053 20 0 DEADHO CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961441067 1085734771 /nfs/dbraw/zinc/73/47/71/1085734771.db2.gz MYYKPBMOLDGIEI-QGZVFWFLSA-N 1 3 307.482 2.053 20 0 DEADHO CC(C)(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC000961468353 1085744794 /nfs/dbraw/zinc/74/47/94/1085744794.db2.gz WIDCWMJAMSEAFB-ZSHCYNCHSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC000961468353 1085744803 /nfs/dbraw/zinc/74/48/03/1085744803.db2.gz WIDCWMJAMSEAFB-ZSHCYNCHSA-N 1 3 321.509 2.343 20 0 DEADHO [NH3+]CCCCN1CCN([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168713470 1085841449 /nfs/dbraw/zinc/84/14/49/1085841449.db2.gz BSHDYSJAEZVSFS-OAHLLOKOSA-N 1 3 307.869 2.164 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC3=CCCCC3)C[C@H]21 ZINC000961767963 1085856603 /nfs/dbraw/zinc/85/66/03/1085856603.db2.gz AKYVIIMJKORXBL-NWGLXNPWSA-N 1 3 317.477 2.018 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3=CCCCC3)C[C@H]21 ZINC000961767963 1085856612 /nfs/dbraw/zinc/85/66/12/1085856612.db2.gz AKYVIIMJKORXBL-NWGLXNPWSA-N 1 3 317.477 2.018 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CC2)C1 ZINC000962385793 1086094963 /nfs/dbraw/zinc/09/49/63/1086094963.db2.gz TZKCNDNMYBZJQQ-JCYILVPMSA-N 1 3 307.482 2.144 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN[C@@H](C)c1ccccc1F ZINC001128787265 1086386388 /nfs/dbraw/zinc/38/63/88/1086386388.db2.gz XWWWPPGRCOCVND-YOEHRIQHSA-N 1 3 321.440 2.467 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN[C@@H](C)c1ccccc1F ZINC001128787265 1086386402 /nfs/dbraw/zinc/38/64/02/1086386402.db2.gz XWWWPPGRCOCVND-YOEHRIQHSA-N 1 3 321.440 2.467 20 0 DEADHO CC(C)[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000957517163 1088369433 /nfs/dbraw/zinc/36/94/33/1088369433.db2.gz KXLCWPWZNFPSCY-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO CCC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001114794104 1088528208 /nfs/dbraw/zinc/52/82/08/1088528208.db2.gz CBGLLIQQWJYQPZ-YNFZKGMBSA-N 1 3 321.509 2.365 20 0 DEADHO CCC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001114794104 1088528222 /nfs/dbraw/zinc/52/82/22/1088528222.db2.gz CBGLLIQQWJYQPZ-YNFZKGMBSA-N 1 3 321.509 2.365 20 0 DEADHO Cc1cccc(CN2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)c1F ZINC001276309163 1088746772 /nfs/dbraw/zinc/74/67/72/1088746772.db2.gz TUERESJBDLLVOH-IRXDYDNUSA-N 1 3 305.441 2.344 20 0 DEADHO Cc1cccc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)c1F ZINC001276309163 1088746786 /nfs/dbraw/zinc/74/67/86/1088746786.db2.gz TUERESJBDLLVOH-IRXDYDNUSA-N 1 3 305.441 2.344 20 0 DEADHO C[NH2+]CCCCC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000719765370 1089363571 /nfs/dbraw/zinc/36/35/71/1089363571.db2.gz XQDGCAPQLNFMJP-UHFFFAOYSA-N 1 3 303.450 2.111 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CC1 ZINC000960007679 1089901274 /nfs/dbraw/zinc/90/12/74/1089901274.db2.gz PSOSVTRRRIXRNN-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]Cc1ccsc1 ZINC001082559765 1090008603 /nfs/dbraw/zinc/00/86/03/1090008603.db2.gz ORSVRNXNUZUMDK-WQVCFCJDSA-N 1 3 321.490 2.025 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001082589050 1090012235 /nfs/dbraw/zinc/01/22/35/1090012235.db2.gz FHVNOWJEAPMFQD-KBRIMQKVSA-N 1 3 321.440 2.102 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCC3CC3)C[C@H]21 ZINC001084388776 1090287139 /nfs/dbraw/zinc/28/71/39/1090287139.db2.gz FDYXDLJAWGULCV-KZNAEPCWSA-N 1 3 319.493 2.194 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCC3CC3)C[C@H]21 ZINC001084388776 1090287144 /nfs/dbraw/zinc/28/71/44/1090287144.db2.gz FDYXDLJAWGULCV-KZNAEPCWSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001084701252 1090401779 /nfs/dbraw/zinc/40/17/79/1090401779.db2.gz VADAWISAQYAHHE-BRWVUGGUSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001084701252 1090401781 /nfs/dbraw/zinc/40/17/81/1090401781.db2.gz VADAWISAQYAHHE-BRWVUGGUSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001084701252 1090401783 /nfs/dbraw/zinc/40/17/83/1090401783.db2.gz VADAWISAQYAHHE-BRWVUGGUSA-N 1 3 307.482 2.192 20 0 DEADHO Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCCN2C)cs1 ZINC001410346484 1090569968 /nfs/dbraw/zinc/56/99/68/1090569968.db2.gz NPNBZLXLWIAPRX-DOMZBBRYSA-N 1 3 309.479 2.087 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@H+](CCC3CC3)[C@H]2C1)N(C)C ZINC001085025081 1090600126 /nfs/dbraw/zinc/60/01/26/1090600126.db2.gz BEUHNVIANFBKDS-FGTMMUONSA-N 1 3 321.509 2.296 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CCC3CC3)[C@H]2C1)N(C)C ZINC001085025081 1090600131 /nfs/dbraw/zinc/60/01/31/1090600131.db2.gz BEUHNVIANFBKDS-FGTMMUONSA-N 1 3 321.509 2.296 20 0 DEADHO C[C@H](NC/C=C/CNC(=O)CC[NH+](C)C)c1cccc(F)c1 ZINC001274330645 1091189966 /nfs/dbraw/zinc/18/99/66/1091189966.db2.gz DURUMYBYKXALLS-NNTXTVRGSA-N 1 3 307.413 2.100 20 0 DEADHO CC/C=C\CC[NH+]1CCC2(CCN(CCN(C)C)C2=O)CC1 ZINC001273419698 1091324234 /nfs/dbraw/zinc/32/42/34/1091324234.db2.gz PLWWVCCDIIKVEW-WAYWQWQTSA-N 1 3 307.482 2.219 20 0 DEADHO CC/C=C\CCN1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001273420323 1091326677 /nfs/dbraw/zinc/32/66/77/1091326677.db2.gz UXRKHQKMJLNESZ-OOFWQKGWSA-N 1 3 307.482 2.361 20 0 DEADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H](C)N1CCCCCC1 ZINC001412339654 1091328105 /nfs/dbraw/zinc/32/81/05/1091328105.db2.gz VLYBUCSWWDGWPS-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001274632590 1091340461 /nfs/dbraw/zinc/34/04/61/1091340461.db2.gz ABXGLBIGTROWAM-JKSUJKDBSA-N 1 3 307.482 2.406 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001274632590 1091340473 /nfs/dbraw/zinc/34/04/73/1091340473.db2.gz ABXGLBIGTROWAM-JKSUJKDBSA-N 1 3 307.482 2.406 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)C[C@H]1C ZINC001274632589 1091340983 /nfs/dbraw/zinc/34/09/83/1091340983.db2.gz ABXGLBIGTROWAM-HZPDHXFCSA-N 1 3 307.482 2.406 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)C[C@H]1C ZINC001274632589 1091340991 /nfs/dbraw/zinc/34/09/91/1091340991.db2.gz ABXGLBIGTROWAM-HZPDHXFCSA-N 1 3 307.482 2.406 20 0 DEADHO Cc1cc(O)cc(C)c1CN1CC2(C1)CC[N@@H+](CCN(C)C)C2 ZINC001275370438 1091696340 /nfs/dbraw/zinc/69/63/40/1091696340.db2.gz GHQLSFBHBYMJBM-UHFFFAOYSA-N 1 3 317.477 2.078 20 0 DEADHO Cc1cc(O)cc(C)c1CN1CC2(C1)CC[N@H+](CCN(C)C)C2 ZINC001275370438 1091696351 /nfs/dbraw/zinc/69/63/51/1091696351.db2.gz GHQLSFBHBYMJBM-UHFFFAOYSA-N 1 3 317.477 2.078 20 0 DEADHO Cn1cc(C[N@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)cn1 ZINC001276222164 1091713893 /nfs/dbraw/zinc/71/38/93/1091713893.db2.gz OUBREFATKQRYAZ-CALCHBBNSA-N 1 3 313.449 2.092 20 0 DEADHO Cn1cc(C[N@@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)cn1 ZINC001276222164 1091713904 /nfs/dbraw/zinc/71/39/04/1091713904.db2.gz OUBREFATKQRYAZ-CALCHBBNSA-N 1 3 313.449 2.092 20 0 DEADHO COC(=O)CCN(C)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000720057788 1091759980 /nfs/dbraw/zinc/75/99/80/1091759980.db2.gz WHQKLQKFXTWSPQ-KRWDZBQOSA-N 1 3 304.434 2.394 20 0 DEADHO COC(=O)CCN(C)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000720057788 1091759986 /nfs/dbraw/zinc/75/99/86/1091759986.db2.gz WHQKLQKFXTWSPQ-KRWDZBQOSA-N 1 3 304.434 2.394 20 0 DEADHO C[N@H+]1CC[C@H]2CN(Cc3ccnn3[C@H]3CCCCO3)C[C@H]2CC1 ZINC001275647801 1091940762 /nfs/dbraw/zinc/94/07/62/1091940762.db2.gz YAHFCWACBRQECV-SOLBZPMBSA-N 1 3 318.465 2.356 20 0 DEADHO C[N@@H+]1CC[C@H]2CN(Cc3ccnn3[C@H]3CCCCO3)C[C@H]2CC1 ZINC001275647801 1091940772 /nfs/dbraw/zinc/94/07/72/1091940772.db2.gz YAHFCWACBRQECV-SOLBZPMBSA-N 1 3 318.465 2.356 20 0 DEADHO CN(C(=O)Cc1c[nH]cn1)[C@@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC000948812712 1091951762 /nfs/dbraw/zinc/95/17/62/1091951762.db2.gz MHTIPUXDPKQFGH-QGZVFWFLSA-N 1 3 318.465 2.455 20 0 DEADHO CN(C(=O)Cc1c[nH]cn1)[C@@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC000948812712 1091951769 /nfs/dbraw/zinc/95/17/69/1091951769.db2.gz MHTIPUXDPKQFGH-QGZVFWFLSA-N 1 3 318.465 2.455 20 0 DEADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCCN1C1CCCC1 ZINC001411640203 1091952592 /nfs/dbraw/zinc/95/25/92/1091952592.db2.gz BMNZOUMPVMTQNM-IKGGRYGDSA-N 1 3 305.466 2.136 20 0 DEADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1CCCN1C1CCCC1 ZINC001411640203 1091952599 /nfs/dbraw/zinc/95/25/99/1091952599.db2.gz BMNZOUMPVMTQNM-IKGGRYGDSA-N 1 3 305.466 2.136 20 0 DEADHO Cc1cc(CN2CC[C@H](NC(=O)CC[NH+](C)C)[C@H]2C)c(C)s1 ZINC001489286189 1093003066 /nfs/dbraw/zinc/00/30/66/1093003066.db2.gz BWYFUMXBAJHENU-CJNGLKHVSA-N 1 3 323.506 2.396 20 0 DEADHO CC(C)[C@@H](C(=O)NC/C=C\C[NH2+]CC1=CCCCC1)N(C)C ZINC001274105723 1093799917 /nfs/dbraw/zinc/79/99/17/1093799917.db2.gz NLSGHTVZOOJMSX-JJEJIETFSA-N 1 3 307.482 2.335 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[NH2+]C/C=C/Cl ZINC001480367229 1151765208 /nfs/dbraw/zinc/76/52/08/1151765208.db2.gz HFHFGWXWIZRBNK-IZPAUZPXSA-N 1 3 301.862 2.050 20 0 DEADHO N[C@@H]1NC(CN(Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)=CS1 ZINC001236681640 1138393339 /nfs/dbraw/zinc/39/33/39/1138393339.db2.gz HUNOGNZUFURLFV-DJIMGWMZSA-N 1 3 318.490 2.179 20 0 DEADHO C[C@H](CO)C[NH+]1CCC2(CCCN(Cc3ccc[nH]3)C2)CC1 ZINC001277998978 1138398060 /nfs/dbraw/zinc/39/80/60/1138398060.db2.gz VMCMOCWKAJREEM-INIZCTEOSA-N 1 3 305.466 2.321 20 0 DEADHO CCc1cccc(NC(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)c1 ZINC001239218275 1138991041 /nfs/dbraw/zinc/99/10/41/1138991041.db2.gz XTLYQOAOWWBMSZ-INIZCTEOSA-N 1 3 316.449 2.245 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCF)C1 ZINC001316654732 1139078392 /nfs/dbraw/zinc/07/83/92/1139078392.db2.gz PBJKILOLNRMULU-ARFHVFGLSA-N 1 3 313.461 2.095 20 0 DEADHO CN1CCN(Cc2ccc(-c3cnc4c(c3)C[NH2+]CC4)cc2)CC1 ZINC001240402673 1139357999 /nfs/dbraw/zinc/35/79/99/1139357999.db2.gz WPYSGLFSYGZEJM-UHFFFAOYSA-N 1 3 322.456 2.142 20 0 DEADHO CC[C@H](C(=O)N1CCC(CC[NH2+]C[C@@H](F)CC)CC1)N(C)C ZINC001318928196 1140470715 /nfs/dbraw/zinc/47/07/15/1140470715.db2.gz FDANPEFPVCHLJC-JKSUJKDBSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@H]2CN3CCC2CC3)C1 ZINC001474734659 1140501365 /nfs/dbraw/zinc/50/13/65/1140501365.db2.gz BSCWRGAKKCQENJ-CWRNSKLLSA-N 1 3 323.481 2.221 20 0 DEADHO C[C@@H](C[NH2+]CCCCC(F)(F)F)N(C)C(=O)[C@@H]1CCCN1C ZINC001319436891 1140574836 /nfs/dbraw/zinc/57/48/36/1140574836.db2.gz NLRSNYHZIXLEAR-STQMWFEESA-N 1 3 323.403 2.250 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)CN1C(=O)Cc1c[nH]cn1 ZINC001278405798 1140628326 /nfs/dbraw/zinc/62/83/26/1140628326.db2.gz ZBBSVBHILLWEIG-DZGCQCFKSA-N 1 3 306.454 2.358 20 0 DEADHO C[C@@H]1CC[C@@H](CNC[C@H](O)COc2ccc(Cl)cc2)C[NH2+]1 ZINC001245975821 1140840489 /nfs/dbraw/zinc/84/04/89/1140840489.db2.gz QPZUYEONOLHKHM-IPYPFGDCSA-N 1 3 312.841 2.057 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CCCC(C)(C)C)CN1C(=O)CN1CCCC1 ZINC001278422448 1140840635 /nfs/dbraw/zinc/84/06/35/1140840635.db2.gz CZKGYSNHGHWGJT-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)c1ccc(OC[C@H](O)CNC[C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC001245981467 1140841429 /nfs/dbraw/zinc/84/14/29/1140841429.db2.gz HHSAOEZTRFLXME-CGTJXYLNSA-N 1 3 320.477 2.385 20 0 DEADHO CC(C)(C)c1ccc(OC[C@H](O)C[NH2+][C@H]2CCCNC2)cc1 ZINC001245985026 1140842063 /nfs/dbraw/zinc/84/20/63/1140842063.db2.gz ZIKYBAYKRJOUHW-JKSUJKDBSA-N 1 3 306.450 2.065 20 0 DEADHO CCCC[C@H](CC)COC[C@@H](O)CNCC[C@H]1CCC[NH2+]1 ZINC001245992157 1140843308 /nfs/dbraw/zinc/84/33/08/1140843308.db2.gz FUANZXHVWQOXEM-BBWFWOEESA-N 1 3 300.487 2.312 20 0 DEADHO CCCC[C@@H](CC)COC[C@H](O)CNC1(C[NH3+])CCCC1 ZINC001245995907 1140843628 /nfs/dbraw/zinc/84/36/28/1140843628.db2.gz SVNPXUWLEMNWPB-HZPDHXFCSA-N 1 3 300.487 2.441 20 0 DEADHO CC[C@H]([NH3+])CCNC[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001246000625 1140844502 /nfs/dbraw/zinc/84/45/02/1140844502.db2.gz LPHDHMAUCYNLIT-HOTGVXAUSA-N 1 3 308.466 2.441 20 0 DEADHO O[C@@]1(C[NH+]2CCC3(CCCc4ccccc43)CC2)CCCNC1 ZINC001246025248 1140849444 /nfs/dbraw/zinc/84/94/44/1140849444.db2.gz GVKOYRDXLMPLGP-FQEVSTJZSA-N 1 3 314.473 2.471 20 0 DEADHO Cc1cccc(CC[N@@H+](C)C[C@@H](O)[C@@H](N)Cc2ccccc2)c1 ZINC001246046080 1140853243 /nfs/dbraw/zinc/85/32/43/1140853243.db2.gz PPZPNISWNRPLIM-VQTJNVASSA-N 1 3 312.457 2.400 20 0 DEADHO Cc1cccc(CC[N@H+](C)C[C@@H](O)[C@@H](N)Cc2ccccc2)c1 ZINC001246046080 1140853245 /nfs/dbraw/zinc/85/32/45/1140853245.db2.gz PPZPNISWNRPLIM-VQTJNVASSA-N 1 3 312.457 2.400 20 0 DEADHO Cc1cc(F)ccc1[C@H]1C[C@H](N[C@H]2CCNC[C@@H]2F)CC[NH2+]1 ZINC001246108130 1140861768 /nfs/dbraw/zinc/86/17/68/1140861768.db2.gz HWHIFQVVOPIENA-BSWAZPDLSA-N 1 3 309.404 2.217 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@@H]1CN[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001246111991 1140862541 /nfs/dbraw/zinc/86/25/41/1140862541.db2.gz PWMWFXSHWWPVQT-CGTJXYLNSA-N 1 3 315.461 2.155 20 0 DEADHO CC(C)(C)[C@@H]1C[C@H](NC[C@@H]2Cc3ccccc3CN2)CC[NH2+]1 ZINC001246280533 1140880355 /nfs/dbraw/zinc/88/03/55/1140880355.db2.gz NRQCNQXGODHRDN-SQNIBIBYSA-N 1 3 301.478 2.457 20 0 DEADHO Cc1ccc(CN2CCC([NH2+]C3CCNCC3)CC2)c(F)c1 ZINC001246359958 1140887970 /nfs/dbraw/zinc/88/79/70/1140887970.db2.gz DSVAHZUCPSNEOY-UHFFFAOYSA-N 1 3 305.441 2.440 20 0 DEADHO Cc1cccnc1C1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCOCC1 ZINC001246437978 1140898659 /nfs/dbraw/zinc/89/86/59/1140898659.db2.gz HBCJMXJTELJHRL-SJPCQFCGSA-N 1 3 315.461 2.311 20 0 DEADHO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CC12CNC2 ZINC001246442809 1140899599 /nfs/dbraw/zinc/89/95/99/1140899599.db2.gz DXGGPADOYBIVIG-GXFFZTMASA-N 1 3 300.324 2.468 20 0 DEADHO COc1ccc(CCN(C[C@H](C)O)[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC001246531360 1140939566 /nfs/dbraw/zinc/93/95/66/1140939566.db2.gz FBANCUVHFFRYFC-VYDXJSESSA-N 1 3 306.450 2.061 20 0 DEADHO COc1ccc(CC[N@H+](C[C@H](C)O)[C@H]2CCN[C@H](C)C2)cc1 ZINC001246531360 1140939581 /nfs/dbraw/zinc/93/95/81/1140939581.db2.gz FBANCUVHFFRYFC-VYDXJSESSA-N 1 3 306.450 2.061 20 0 DEADHO COc1ccc(CC[N@@H+](C[C@H](C)O)[C@H]2CCN[C@H](C)C2)cc1 ZINC001246531360 1140939602 /nfs/dbraw/zinc/93/96/02/1140939602.db2.gz FBANCUVHFFRYFC-VYDXJSESSA-N 1 3 306.450 2.061 20 0 DEADHO C[C@H](CC(C)(C)SCc1ccco1)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246558665 1140964531 /nfs/dbraw/zinc/96/45/31/1140964531.db2.gz LLWCGHSTQLTSGT-BPLDGKMQSA-N 1 3 312.479 2.464 20 0 DEADHO C[C@H](CC(C)(C)SCc1ccco1)[N@@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246558665 1140964555 /nfs/dbraw/zinc/96/45/55/1140964555.db2.gz LLWCGHSTQLTSGT-BPLDGKMQSA-N 1 3 312.479 2.464 20 0 DEADHO C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246558665 1140964567 /nfs/dbraw/zinc/96/45/67/1140964567.db2.gz LLWCGHSTQLTSGT-BPLDGKMQSA-N 1 3 312.479 2.464 20 0 DEADHO N[C@H]1CC[N@@H+](C2CCN(CCc3ccccc3)CC2)CC[C@H]1F ZINC001246589510 1140993684 /nfs/dbraw/zinc/99/36/84/1140993684.db2.gz SJELBTOLVMTKOL-MOPGFXCFSA-N 1 3 319.468 2.455 20 0 DEADHO N[C@H]1CC[N@H+](C2CCN(CCc3ccccc3)CC2)CC[C@H]1F ZINC001246589510 1140993698 /nfs/dbraw/zinc/99/36/98/1140993698.db2.gz SJELBTOLVMTKOL-MOPGFXCFSA-N 1 3 319.468 2.455 20 0 DEADHO CCCCC(CCCC)[N@@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246630597 1141013541 /nfs/dbraw/zinc/01/35/41/1141013541.db2.gz UAQUFMVRCQTYDS-SFHVURJKSA-N 1 3 307.482 2.147 20 0 DEADHO CCCCC(CCCC)[N@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246630597 1141013547 /nfs/dbraw/zinc/01/35/47/1141013547.db2.gz UAQUFMVRCQTYDS-SFHVURJKSA-N 1 3 307.482 2.147 20 0 DEADHO C[C@@H]1C[C@@H]([N@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)CCN1 ZINC001246706379 1141041039 /nfs/dbraw/zinc/04/10/39/1141041039.db2.gz KLPZPNRUDZOBLI-WCVJEAGWSA-N 1 3 305.491 2.252 20 0 DEADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)CCN1 ZINC001246706379 1141041051 /nfs/dbraw/zinc/04/10/51/1141041051.db2.gz KLPZPNRUDZOBLI-WCVJEAGWSA-N 1 3 305.491 2.252 20 0 DEADHO C[C@@H]1C[C@@H](N2CC[C@]3(CC(=O)N(c4ccsc4)C3)C2)CC[NH2+]1 ZINC001246761478 1141053839 /nfs/dbraw/zinc/05/38/39/1141053839.db2.gz SWFVKXNVGZDWLL-KEYYUXOJSA-N 1 3 319.474 2.317 20 0 DEADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@]3(CC(=O)N(c4ccsc4)C3)C2)CCN1 ZINC001246761478 1141053848 /nfs/dbraw/zinc/05/38/48/1141053848.db2.gz SWFVKXNVGZDWLL-KEYYUXOJSA-N 1 3 319.474 2.317 20 0 DEADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@]3(CC(=O)N(c4ccsc4)C3)C2)CCN1 ZINC001246761478 1141053857 /nfs/dbraw/zinc/05/38/57/1141053857.db2.gz SWFVKXNVGZDWLL-KEYYUXOJSA-N 1 3 319.474 2.317 20 0 DEADHO Fc1ccc([C@@H]2CSCCN2[C@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246823048 1141078128 /nfs/dbraw/zinc/07/81/28/1141078128.db2.gz MSLGMYFTDOHZIN-HOTGVXAUSA-N 1 3 321.465 2.010 20 0 DEADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@H]3[NH2+]CCC[C@@H]3C1)C2 ZINC001247013080 1141243462 /nfs/dbraw/zinc/24/34/62/1141243462.db2.gz FLCKIAABTNBIES-NRKLIOEPSA-N 1 3 321.465 2.212 20 0 DEADHO CC(C)c1ccc(OC[C@H](O)CN[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC001250784644 1142313954 /nfs/dbraw/zinc/31/39/54/1142313954.db2.gz FITBKUMKIRVIKA-SZVBFZGTSA-N 1 3 320.477 2.480 20 0 DEADHO CC(C)c1ccc(OC[C@H](O)CN[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC001250784644 1142313960 /nfs/dbraw/zinc/31/39/60/1142313960.db2.gz FITBKUMKIRVIKA-SZVBFZGTSA-N 1 3 320.477 2.480 20 0 DEADHO Cc1ccccc1OC[C@H](O)CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001251736117 1142500427 /nfs/dbraw/zinc/50/04/27/1142500427.db2.gz ITQXVGRADAQFIZ-XMTFNYHQSA-N 1 3 318.461 2.340 20 0 DEADHO Cc1ccccc1OC[C@H](O)CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001251736117 1142500433 /nfs/dbraw/zinc/50/04/33/1142500433.db2.gz ITQXVGRADAQFIZ-XMTFNYHQSA-N 1 3 318.461 2.340 20 0 DEADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]CCCCCF)C(C)(C)C1)N(C)C ZINC001278685284 1142825551 /nfs/dbraw/zinc/82/55/51/1142825551.db2.gz WDBSDRYEPHALFK-GJZGRUSLSA-N 1 3 315.477 2.293 20 0 DEADHO CCN(CC)C[C@@H](O)C[N@H+](C)CCc1c[nH]c2ccccc12 ZINC001253193234 1142852224 /nfs/dbraw/zinc/85/22/24/1142852224.db2.gz FHBLDZXISOQHQV-INIZCTEOSA-N 1 3 303.450 2.345 20 0 DEADHO CCN(CC)C[C@@H](O)C[N@@H+](C)CCc1c[nH]c2ccccc12 ZINC001253193234 1142852225 /nfs/dbraw/zinc/85/22/25/1142852225.db2.gz FHBLDZXISOQHQV-INIZCTEOSA-N 1 3 303.450 2.345 20 0 DEADHO CC[NH+](CC)C[C@H](O)CNCCc1c[nH]c2ccc(C)cc12 ZINC001253203330 1142853623 /nfs/dbraw/zinc/85/36/23/1142853623.db2.gz RWHOMHJCMKIVNK-MRXNPFEDSA-N 1 3 303.450 2.311 20 0 DEADHO CC[NH+](CC)C[C@@H](O)CNC[C@H](c1ccccc1)N1CCCC1 ZINC001253202934 1142853695 /nfs/dbraw/zinc/85/36/95/1142853695.db2.gz COHROQPVQBJTHQ-RBUKOAKNSA-N 1 3 319.493 2.116 20 0 DEADHO CC[NH+](CC)C[C@H](O)CNC(C)(C)Cc1ccc(OC)cc1 ZINC001253211601 1142855173 /nfs/dbraw/zinc/85/51/73/1142855173.db2.gz IRZDDSWRNWKRHM-MRXNPFEDSA-N 1 3 308.466 2.309 20 0 DEADHO CCN(CC)C[C@H](O)C[NH2+][C@@H]1CSc2cc(OC)ccc2C1 ZINC001253216159 1142855634 /nfs/dbraw/zinc/85/56/34/1142855634.db2.gz IWSBRGUJZODYBW-LSDHHAIUSA-N 1 3 324.490 2.004 20 0 DEADHO CC(C)(C)[C@@H](O)C[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001253747028 1142905837 /nfs/dbraw/zinc/90/58/37/1142905837.db2.gz HFWUFGDWSXXHNB-KRWDZBQOSA-N 1 3 305.466 2.290 20 0 DEADHO C[C@H]1C[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)CCCO1 ZINC001254030619 1143029631 /nfs/dbraw/zinc/02/96/31/1143029631.db2.gz ZRBDTJUUGLIHDV-KRWDZBQOSA-N 1 3 318.461 2.124 20 0 DEADHO C[C@H]1C[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)CCCO1 ZINC001254030619 1143029639 /nfs/dbraw/zinc/02/96/39/1143029639.db2.gz ZRBDTJUUGLIHDV-KRWDZBQOSA-N 1 3 318.461 2.124 20 0 DEADHO CN1CCC[C@@H]([N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001254516750 1143174620 /nfs/dbraw/zinc/17/46/20/1143174620.db2.gz OOJMDPAIFAIAMW-LSDHHAIUSA-N 1 3 311.470 2.460 20 0 DEADHO CN1CCC[C@@H]([N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001254516750 1143174639 /nfs/dbraw/zinc/17/46/39/1143174639.db2.gz OOJMDPAIFAIAMW-LSDHHAIUSA-N 1 3 311.470 2.460 20 0 DEADHO COc1cccc(N2CC[NH+]([C@@H]3CCCN(C)CC3)CC2)c1 ZINC001254517819 1143182684 /nfs/dbraw/zinc/18/26/84/1143182684.db2.gz YUMBGFXBWVFXSU-MRXNPFEDSA-N 1 3 303.450 2.302 20 0 DEADHO CC(=O)OCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001255134490 1143439857 /nfs/dbraw/zinc/43/98/57/1143439857.db2.gz CERBAUXCVIVGKQ-BCDXTJNWSA-N 1 3 302.418 2.335 20 0 DEADHO CC[NH+](CC)CCCCNC(=O)c1ccc2c(c1)OCCNC2 ZINC001341556163 1143628020 /nfs/dbraw/zinc/62/80/20/1143628020.db2.gz VLLLJEQVCZNBLF-UHFFFAOYSA-N 1 3 319.449 2.020 20 0 DEADHO C[N@@H+]1CCC[C@H](N2CCCN(Cc3ccc(F)cc3)CC2)C1 ZINC001255490476 1143702009 /nfs/dbraw/zinc/70/20/09/1143702009.db2.gz WJBJCDIHDKXCAT-SFHVURJKSA-N 1 3 305.441 2.428 20 0 DEADHO C[N@H+]1CCC[C@H](N2CCCN(Cc3ccc(F)cc3)CC2)C1 ZINC001255490476 1143702024 /nfs/dbraw/zinc/70/20/24/1143702024.db2.gz WJBJCDIHDKXCAT-SFHVURJKSA-N 1 3 305.441 2.428 20 0 DEADHO CC[NH+](CC)CC[C@H](C)NCCC(=O)NCc1ccccc1 ZINC001255945456 1143816029 /nfs/dbraw/zinc/81/60/29/1143816029.db2.gz GFVAFRVDXDIJJX-INIZCTEOSA-N 1 3 305.466 2.403 20 0 DEADHO CC[NH+](CC)CC[C@H](C)N[C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC001255953621 1143816563 /nfs/dbraw/zinc/81/65/63/1143816563.db2.gz MCEBLVVICIILOR-DOTOQJQBSA-N 1 3 318.465 2.006 20 0 DEADHO CC[NH+](CC)CC[C@H](C)N[C@@H](CN1CCOCC1)C(C)(C)C ZINC001255955436 1143816650 /nfs/dbraw/zinc/81/66/50/1143816650.db2.gz TVWDSTCKVQIDKD-IRXDYDNUSA-N 1 3 313.530 2.443 20 0 DEADHO CC[NH+](CC)CC[C@H](C)N[C@@H]1CCN(C(=O)c2cccnc2)C1 ZINC001255953814 1143816788 /nfs/dbraw/zinc/81/67/88/1143816788.db2.gz PIHHVBSNSHWVIR-DOTOQJQBSA-N 1 3 318.465 2.006 20 0 DEADHO CCN(CC)CC[C@@H](C)[NH2+]CC1CCN(c2ccncn2)CC1 ZINC001255954744 1143816827 /nfs/dbraw/zinc/81/68/27/1143816827.db2.gz YXPZVRJJSRUJER-MRXNPFEDSA-N 1 3 319.497 2.403 20 0 DEADHO CCN(CC)CC[C@@H](C)[N@@H+]1C[C@H](C)[C@]2(CCN(CC)C2=O)C1 ZINC001255963422 1143817557 /nfs/dbraw/zinc/81/75/57/1143817557.db2.gz PTCHKIOIGYBIIZ-JZXOWHBKSA-N 1 3 309.498 2.297 20 0 DEADHO CCN(CC)CC[C@@H](C)[N@H+]1C[C@H](C)[C@]2(CCN(CC)C2=O)C1 ZINC001255963422 1143817558 /nfs/dbraw/zinc/81/75/58/1143817558.db2.gz PTCHKIOIGYBIIZ-JZXOWHBKSA-N 1 3 309.498 2.297 20 0 DEADHO COc1cccc([C@H](CCO)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC001256614229 1143857506 /nfs/dbraw/zinc/85/75/06/1143857506.db2.gz JZRRZDVRJYDVMF-MMNRESRNSA-N 1 3 304.434 2.334 20 0 DEADHO CCN1C(=O)CCC12CCN(C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001256624241 1143858189 /nfs/dbraw/zinc/85/81/89/1143858189.db2.gz SHRWRPQQYHBEAH-XYPWUTKMSA-N 1 3 305.466 2.089 20 0 DEADHO CCN1C(=O)CCC12CCN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001256624241 1143858191 /nfs/dbraw/zinc/85/81/91/1143858191.db2.gz SHRWRPQQYHBEAH-XYPWUTKMSA-N 1 3 305.466 2.089 20 0 DEADHO CCCCN1CC[NH+](C2CCC(N3CCOCC3)CC2)CC1 ZINC001256694616 1143863170 /nfs/dbraw/zinc/86/31/70/1143863170.db2.gz AEEYPSFJTJLPDN-UHFFFAOYSA-N 1 3 309.498 2.048 20 0 DEADHO CN1CCN(Cc2ccccc2C[NH2+][C@H]2CCCSC2)CC1 ZINC001257658851 1143942674 /nfs/dbraw/zinc/94/26/74/1143942674.db2.gz FPJSEJUAPSLVAO-SFHVURJKSA-N 1 3 319.518 2.419 20 0 DEADHO CC(C)CN1CCC([NH2+][C@H]2CCCN(c3ccncn3)C2)CC1 ZINC001258008219 1143964769 /nfs/dbraw/zinc/96/47/69/1143964769.db2.gz LMKMPFNNMWYLHR-KRWDZBQOSA-N 1 3 317.481 2.155 20 0 DEADHO CC(C)C[NH+]1CCC(N[C@H]2CCCN(c3ccncn3)C2)CC1 ZINC001258008219 1143964770 /nfs/dbraw/zinc/96/47/70/1143964770.db2.gz LMKMPFNNMWYLHR-KRWDZBQOSA-N 1 3 317.481 2.155 20 0 DEADHO CC(C)C[NH+]1CCC(N[C@H]2CCN(Cc3ccncc3)C2)CC1 ZINC001258008131 1143964776 /nfs/dbraw/zinc/96/47/76/1143964776.db2.gz GKFZBVIDXKHCAE-IBGZPJMESA-N 1 3 316.493 2.366 20 0 DEADHO CC(C)C[NH+]1CCC(N2CC[C@@H]3[C@H](CCC(=O)N3C)C2)CC1 ZINC001258019684 1143966652 /nfs/dbraw/zinc/96/66/52/1143966652.db2.gz FHZWMZAPBFZFME-NVXWUHKLSA-N 1 3 307.482 2.050 20 0 DEADHO CCCN1CCC([N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)CC1 ZINC001258774023 1144040951 /nfs/dbraw/zinc/04/09/51/1144040951.db2.gz HLLNDTUZUMHXKF-KRWDZBQOSA-N 1 3 307.482 2.338 20 0 DEADHO CCCN1CCC([N@H+]2CCCC[C@H]2C(=O)N2CCCC2)CC1 ZINC001258774023 1144040954 /nfs/dbraw/zinc/04/09/54/1144040954.db2.gz HLLNDTUZUMHXKF-KRWDZBQOSA-N 1 3 307.482 2.338 20 0 DEADHO CC[C@H](Cc1ccccc1)[N@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001258850692 1144047019 /nfs/dbraw/zinc/04/70/19/1144047019.db2.gz LWVJCVRAAXOBOX-GOSISDBHSA-N 1 3 317.477 2.104 20 0 DEADHO CC[C@H](Cc1ccccc1)[N@@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001258850692 1144047023 /nfs/dbraw/zinc/04/70/23/1144047023.db2.gz LWVJCVRAAXOBOX-GOSISDBHSA-N 1 3 317.477 2.104 20 0 DEADHO CN(C)C[C@H](NC(=O)CCCCCC[NH3+])c1ccc(F)cc1 ZINC001263347265 1144371041 /nfs/dbraw/zinc/37/10/41/1144371041.db2.gz KPHLTIVBZMNHMY-INIZCTEOSA-N 1 3 309.429 2.454 20 0 DEADHO C[NH+](C)CCCCC(=O)N1CCCCC[C@@H](NCCF)C1 ZINC001264125362 1144475413 /nfs/dbraw/zinc/47/54/13/1144475413.db2.gz IKHKHGPLSXAIEL-OAHLLOKOSA-N 1 3 301.450 2.049 20 0 DEADHO CN(C(=O)[C@@H]1CCCN1C)C1CC[NH+](CCCCCF)CC1 ZINC001265189460 1144663403 /nfs/dbraw/zinc/66/34/03/1144663403.db2.gz PETAJFVKTIUFKC-INIZCTEOSA-N 1 3 313.461 2.143 20 0 DEADHO CCCCC[N@@H+]1CCC[C@@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001265594534 1144716581 /nfs/dbraw/zinc/71/65/81/1144716581.db2.gz DFSPPDJJGRRDBF-HNNXBMFYSA-N 1 3 306.454 2.279 20 0 DEADHO CCCCC[N@H+]1CCC[C@@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001265594534 1144716583 /nfs/dbraw/zinc/71/65/83/1144716583.db2.gz DFSPPDJJGRRDBF-HNNXBMFYSA-N 1 3 306.454 2.279 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[N@@H+](C)CC[C@@H](C)F ZINC001265933021 1144762038 /nfs/dbraw/zinc/76/20/38/1144762038.db2.gz DJBVGGLVRQORBC-CVEARBPZSA-N 1 3 315.477 2.436 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[N@H+](C)CC[C@@H](C)F ZINC001265933021 1144762042 /nfs/dbraw/zinc/76/20/42/1144762042.db2.gz DJBVGGLVRQORBC-CVEARBPZSA-N 1 3 315.477 2.436 20 0 DEADHO CC(C)N(C)CC(=O)N(C)[C@@H](C[NH2+]CCC(F)(F)F)C1CC1 ZINC001283556972 1145518250 /nfs/dbraw/zinc/51/82/50/1145518250.db2.gz MKGHEFZYNXRGMH-ZDUSSCGKSA-N 1 3 323.403 2.106 20 0 DEADHO O[C@@H](CN1CCC(O)(C[NH+]2CCCCC2)CC1)c1ccccc1 ZINC001364839439 1145619940 /nfs/dbraw/zinc/61/99/40/1145619940.db2.gz UUTFEUXTLFNRES-SFHVURJKSA-N 1 3 318.461 2.033 20 0 DEADHO CCO[C@@H](CNCC1(c2ccc3c(c2)OCO3)CC1)C[NH+](C)C ZINC001364994613 1145741762 /nfs/dbraw/zinc/74/17/62/1145741762.db2.gz BADXOZFJRPXOMR-HNNXBMFYSA-N 1 3 320.433 2.003 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCCC[C@@]23CCOC3)CC1 ZINC001365350686 1145855087 /nfs/dbraw/zinc/85/50/87/1145855087.db2.gz IICBNDPTFMFCIO-SFHVURJKSA-N 1 3 309.498 2.048 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCCC[C@@]23CCOC3)CC1 ZINC001365350686 1145855090 /nfs/dbraw/zinc/85/50/90/1145855090.db2.gz IICBNDPTFMFCIO-SFHVURJKSA-N 1 3 309.498 2.048 20 0 DEADHO CCC[N@H+]1CC=C(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001284917423 1145971174 /nfs/dbraw/zinc/97/11/74/1145971174.db2.gz LOIGTYPMTWMKQL-UHFFFAOYSA-N 1 3 307.482 2.409 20 0 DEADHO CCC[N@@H+]1CC=C(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001284917423 1145971182 /nfs/dbraw/zinc/97/11/82/1145971182.db2.gz LOIGTYPMTWMKQL-UHFFFAOYSA-N 1 3 307.482 2.409 20 0 DEADHO CC[C@H](C)C[N@H+]1CC=C(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001284957744 1145993004 /nfs/dbraw/zinc/99/30/04/1145993004.db2.gz OMKLJFLICOXGGO-JKSUJKDBSA-N 1 3 307.482 2.123 20 0 DEADHO CC[C@H](C)C[N@@H+]1CC=C(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001284957744 1145993013 /nfs/dbraw/zinc/99/30/13/1145993013.db2.gz OMKLJFLICOXGGO-JKSUJKDBSA-N 1 3 307.482 2.123 20 0 DEADHO CC[C@H](F)C[N@H+](C)C[C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001366071760 1147040509 /nfs/dbraw/zinc/04/05/09/1147040509.db2.gz BYOYIJHMZWBAQQ-CVEARBPZSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@H](F)C[N@@H+](C)C[C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001366071760 1147040515 /nfs/dbraw/zinc/04/05/15/1147040515.db2.gz BYOYIJHMZWBAQQ-CVEARBPZSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]C/C=C\Cl)N(C)C ZINC001317191657 1147176478 /nfs/dbraw/zinc/17/64/78/1147176478.db2.gz JGXVYVPTFWEKFH-VTLBSYCISA-N 1 3 301.862 2.050 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)CC1=CCCCC1 ZINC001492267846 1147193634 /nfs/dbraw/zinc/19/36/34/1147193634.db2.gz KYVCXPMTCVTTLJ-QGZVFWFLSA-N 1 3 307.482 2.409 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(C)CC1=CCCCC1 ZINC001492267846 1147193639 /nfs/dbraw/zinc/19/36/39/1147193639.db2.gz KYVCXPMTCVTTLJ-QGZVFWFLSA-N 1 3 307.482 2.409 20 0 DEADHO Cc1cc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)cs1 ZINC001366349904 1147228572 /nfs/dbraw/zinc/22/85/72/1147228572.db2.gz XSABNAXKFCWPCJ-SWLSCSKDSA-N 1 3 311.495 2.237 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H](C)NCc1ccsc1)[NH+]1CCCC1 ZINC001366363858 1147234884 /nfs/dbraw/zinc/23/48/84/1147234884.db2.gz GVZKPVQVEPQAAQ-GDBMZVCRSA-N 1 3 323.506 2.463 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H](C)NCc1ccsc1)[NH+]1CCCC1 ZINC001366363866 1147235195 /nfs/dbraw/zinc/23/51/95/1147235195.db2.gz GVZKPVQVEPQAAQ-HOCLYGCPSA-N 1 3 323.506 2.463 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001366413737 1147257955 /nfs/dbraw/zinc/25/79/55/1147257955.db2.gz XNOOFDJXIICZKX-KRWDZBQOSA-N 1 3 317.477 2.273 20 0 DEADHO CCCCC[N@H+](C)[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001480735041 1147289148 /nfs/dbraw/zinc/28/91/48/1147289148.db2.gz BNSJNXGVMQHRFX-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001480735041 1147289155 /nfs/dbraw/zinc/28/91/55/1147289155.db2.gz BNSJNXGVMQHRFX-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@H](C(=O)NCCC[N@H+](C)Cc1cc(F)ccc1C)N(C)C ZINC001316834798 1147345386 /nfs/dbraw/zinc/34/53/86/1147345386.db2.gz KTIJJBTVFZSZIJ-QGZVFWFLSA-N 1 3 323.456 2.412 20 0 DEADHO CC[C@H](C(=O)NCCC[N@@H+](C)Cc1cc(F)ccc1C)N(C)C ZINC001316834798 1147345391 /nfs/dbraw/zinc/34/53/91/1147345391.db2.gz KTIJJBTVFZSZIJ-QGZVFWFLSA-N 1 3 323.456 2.412 20 0 DEADHO CCc1ccc(CN(C)CCNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001366582909 1147373099 /nfs/dbraw/zinc/37/30/99/1147373099.db2.gz CIVGQWWAABUJOG-SFHVURJKSA-N 1 3 317.477 2.139 20 0 DEADHO CCc1ccc(CN(C)CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001366582909 1147373103 /nfs/dbraw/zinc/37/31/03/1147373103.db2.gz CIVGQWWAABUJOG-SFHVURJKSA-N 1 3 317.477 2.139 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CC1)N1CCCC1 ZINC001366677709 1147473461 /nfs/dbraw/zinc/47/34/61/1147473461.db2.gz PNMSQOMCLPKQFO-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CC1)N1CCCC1 ZINC001366677709 1147473471 /nfs/dbraw/zinc/47/34/71/1147473471.db2.gz PNMSQOMCLPKQFO-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@H](C(=O)N(C)CC[NH2+][C@@H](C)c1cccc(C)c1)N(C)C ZINC001366775265 1147553943 /nfs/dbraw/zinc/55/39/43/1147553943.db2.gz IWDDCFLQVTVFEO-DOTOQJQBSA-N 1 3 305.466 2.444 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC001367027021 1147635572 /nfs/dbraw/zinc/63/55/72/1147635572.db2.gz YGNONMOBUCDXIL-KRWDZBQOSA-N 1 3 303.450 2.109 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC001367027021 1147635573 /nfs/dbraw/zinc/63/55/73/1147635573.db2.gz YGNONMOBUCDXIL-KRWDZBQOSA-N 1 3 303.450 2.109 20 0 DEADHO CC(C)=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001317044466 1147652404 /nfs/dbraw/zinc/65/24/04/1147652404.db2.gz LNZVORJNWNUKLT-KRWDZBQOSA-N 1 3 309.498 2.463 20 0 DEADHO CC(C)=CC[N@H+](C)C[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001317044466 1147652405 /nfs/dbraw/zinc/65/24/05/1147652405.db2.gz LNZVORJNWNUKLT-KRWDZBQOSA-N 1 3 309.498 2.463 20 0 DEADHO Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)CN(C)C(C)C)cs1 ZINC001367229663 1147666593 /nfs/dbraw/zinc/66/65/93/1147666593.db2.gz ZTGIMRBKXGKCDG-MRXNPFEDSA-N 1 3 323.506 2.477 20 0 DEADHO C[C@H](F)CC[N@H+](C)CCN(C)C(=O)CN(C)CC(C)(C)C ZINC001367532796 1147710764 /nfs/dbraw/zinc/71/07/64/1147710764.db2.gz GNXNBGPZKZXAMZ-AWEZNQCLSA-N 1 3 303.466 2.103 20 0 DEADHO C[C@H](F)CC[N@@H+](C)CCN(C)C(=O)CN(C)CC(C)(C)C ZINC001367532796 1147710765 /nfs/dbraw/zinc/71/07/65/1147710765.db2.gz GNXNBGPZKZXAMZ-AWEZNQCLSA-N 1 3 303.466 2.103 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC1=CCCCC1 ZINC001317243383 1147681998 /nfs/dbraw/zinc/68/19/98/1147681998.db2.gz XCHFKLXIXPAROL-DOTOQJQBSA-N 1 3 307.482 2.454 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC001367669853 1147724816 /nfs/dbraw/zinc/72/48/16/1147724816.db2.gz REPMOVFJLVSUCU-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO CN(CC[NH2+]CC/C=C\c1ccccc1)C(=O)[C@H]1CCCN1C ZINC001317573476 1147727191 /nfs/dbraw/zinc/72/71/91/1147727191.db2.gz PNCDUNAITFLUSV-HJLMUGLJSA-N 1 3 315.461 2.232 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@H](C)c1cccc(OC)c1)N(C)C ZINC001367699727 1147729174 /nfs/dbraw/zinc/72/91/74/1147729174.db2.gz QKZURWQVEYWTEE-CPUCHLNUSA-N 1 3 321.465 2.191 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(C)cc1C ZINC001367706775 1147730288 /nfs/dbraw/zinc/73/02/88/1147730288.db2.gz BIRNMOSQWMWLEI-MRXNPFEDSA-N 1 3 305.466 2.240 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001367766230 1147739993 /nfs/dbraw/zinc/73/99/93/1147739993.db2.gz BNNBVSCEFRFDKW-JSGCOSHPSA-N 1 3 319.440 2.246 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001367804313 1147749479 /nfs/dbraw/zinc/74/94/79/1147749479.db2.gz MMSORRNUCCMESN-SJLPKXTDSA-N 1 3 317.477 2.498 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001367804313 1147749481 /nfs/dbraw/zinc/74/94/81/1147749481.db2.gz MMSORRNUCCMESN-SJLPKXTDSA-N 1 3 317.477 2.498 20 0 DEADHO CC(C)=CC[N@@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001317883645 1147760221 /nfs/dbraw/zinc/76/02/21/1147760221.db2.gz DUGSKBIYDQSXBW-UHFFFAOYSA-N 1 3 307.482 2.219 20 0 DEADHO CC(C)=CC[N@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001317883645 1147760223 /nfs/dbraw/zinc/76/02/23/1147760223.db2.gz DUGSKBIYDQSXBW-UHFFFAOYSA-N 1 3 307.482 2.219 20 0 DEADHO CN(C)C1(C(=O)NCC2([NH2+]CC3CC4(CCC4)C3)CC2)CCC1 ZINC001368003085 1147824551 /nfs/dbraw/zinc/82/45/51/1147824551.db2.gz MCRYTCLULBXFPE-UHFFFAOYSA-N 1 3 319.493 2.289 20 0 DEADHO Cc1ccccc1C[NH2+]C1(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001368036419 1147837744 /nfs/dbraw/zinc/83/77/44/1147837744.db2.gz LRSQUJLPYYQEFQ-QGZVFWFLSA-N 1 3 317.477 2.320 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1([NH2+]CCc2cccs2)CC1)N(C)C ZINC001368035770 1147837820 /nfs/dbraw/zinc/83/78/20/1147837820.db2.gz IVDGNXWOSFWJBH-HNNXBMFYSA-N 1 3 323.506 2.115 20 0 DEADHO Cc1cccc(CNC2(CNC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)c1 ZINC001368037570 1147838676 /nfs/dbraw/zinc/83/86/76/1147838676.db2.gz OCKTWWMQQMIPMT-QGZVFWFLSA-N 1 3 315.461 2.075 20 0 DEADHO Cc1cccc(CNC2(CNC(=O)C[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC001368037570 1147838678 /nfs/dbraw/zinc/83/86/78/1147838678.db2.gz OCKTWWMQQMIPMT-QGZVFWFLSA-N 1 3 315.461 2.075 20 0 DEADHO CC(C)[C@H](C(=O)NCC1([NH2+]CC2CC2)CC1)N1CCCCC1 ZINC001368044428 1147840111 /nfs/dbraw/zinc/84/01/11/1147840111.db2.gz PTZYCHUZLOPMNP-MRXNPFEDSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NCc2ccccc2CN(C)C)CC1 ZINC000074676602 185008425 /nfs/dbraw/zinc/00/84/25/185008425.db2.gz VKMMILPBKVYVMA-UHFFFAOYSA-N 1 3 317.477 2.485 20 0 DEADHO C[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000138344529 282099048 /nfs/dbraw/zinc/09/90/48/282099048.db2.gz KXGRBUWOZHCLSD-HKUYNNGSSA-N 1 3 312.461 2.426 20 0 DEADHO C[C@@H](Cn1cccn1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000138344529 282099049 /nfs/dbraw/zinc/09/90/49/282099049.db2.gz KXGRBUWOZHCLSD-HKUYNNGSSA-N 1 3 312.461 2.426 20 0 DEADHO C[C@@H](Cn1cccn1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000138344529 282099052 /nfs/dbraw/zinc/09/90/52/282099052.db2.gz KXGRBUWOZHCLSD-HKUYNNGSSA-N 1 3 312.461 2.426 20 0 DEADHO C[C@]1(NC(=O)NCCN2CCC3(CCCCC3)CC2)CC[NH2+]C1 ZINC000612907062 361947914 /nfs/dbraw/zinc/94/79/14/361947914.db2.gz MDCITTGWOHLYOM-KRWDZBQOSA-N 1 3 322.497 2.084 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000418111591 529609883 /nfs/dbraw/zinc/60/98/83/529609883.db2.gz XZSBHYUSDFQKGX-PBHICJAKSA-N 1 3 320.481 2.278 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000417832209 529616200 /nfs/dbraw/zinc/61/62/00/529616200.db2.gz KXWQOJGDQJISEQ-RANZSIQMSA-N 1 3 315.461 2.286 20 0 DEADHO CC[NH+](CC)CCOc1ccc(CN[C@@H]2CCOC2)cc1OC ZINC000088684216 185262423 /nfs/dbraw/zinc/26/24/23/185262423.db2.gz MVEZDWGFNZISCA-MRXNPFEDSA-N 1 3 322.449 2.294 20 0 DEADHO CN(C)[C@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000368751964 282238942 /nfs/dbraw/zinc/23/89/42/282238942.db2.gz WJSIZBUQSYBGQC-DOTOQJQBSA-N 1 3 303.450 2.185 20 0 DEADHO CC1CCC(C[NH+]2CCC(C(=O)NCCN(C)C)CC2)CC1 ZINC000092615907 185328907 /nfs/dbraw/zinc/32/89/07/185328907.db2.gz MMVRBZZVECDSAD-UHFFFAOYSA-N 1 3 309.498 2.203 20 0 DEADHO C[NH2+]C[C@@H](C)CNC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000417622321 529982680 /nfs/dbraw/zinc/98/26/80/529982680.db2.gz IFZDZAZJGOGWOK-CABCVRRESA-N 1 3 320.481 2.271 20 0 DEADHO C[NH2+]C[C@H](C)CNC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000417622324 529995971 /nfs/dbraw/zinc/99/59/71/529995971.db2.gz IFZDZAZJGOGWOK-LSDHHAIUSA-N 1 3 320.481 2.271 20 0 DEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000448258185 530048305 /nfs/dbraw/zinc/04/83/05/530048305.db2.gz UZDNYBLTTOVJOQ-OAHLLOKOSA-N 1 3 324.513 2.138 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000447966310 530051640 /nfs/dbraw/zinc/05/16/40/530051640.db2.gz KGNDBWPLNPGFFZ-PMPSAXMXSA-N 1 3 322.497 2.033 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000447966310 530051641 /nfs/dbraw/zinc/05/16/41/530051641.db2.gz KGNDBWPLNPGFFZ-PMPSAXMXSA-N 1 3 322.497 2.033 20 0 DEADHO CC[N@@H+]1CC[C@H](N[C@H]2COc3c(cccc3OC)C2)[C@H](C)C1 ZINC000164525744 539602990 /nfs/dbraw/zinc/60/29/90/539602990.db2.gz MOVDBPQFQRMQMA-BMFZPTHFSA-N 1 3 304.434 2.319 20 0 DEADHO CC[N@H+]1CC[C@H](N[C@H]2COc3c(cccc3OC)C2)[C@H](C)C1 ZINC000164525744 539602996 /nfs/dbraw/zinc/60/29/96/539602996.db2.gz MOVDBPQFQRMQMA-BMFZPTHFSA-N 1 3 304.434 2.319 20 0 DEADHO CC(C)C[C@H](N)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000236734278 539740174 /nfs/dbraw/zinc/74/01/74/539740174.db2.gz NFLYSLGLKQRVLL-INIZCTEOSA-N 1 3 307.438 2.329 20 0 DEADHO C[C@H](CCNC(=O)[C@@H]1CCCCN1)[N@H+](C)Cc1ccccc1 ZINC000237457667 186292117 /nfs/dbraw/zinc/29/21/17/186292117.db2.gz IMXMZMYUYVWAAZ-WBVHZDCISA-N 1 3 303.450 2.155 20 0 DEADHO C[C@H](CCNC(=O)[C@@H]1CCCCN1)[N@@H+](C)Cc1ccccc1 ZINC000237457667 186292119 /nfs/dbraw/zinc/29/21/19/186292119.db2.gz IMXMZMYUYVWAAZ-WBVHZDCISA-N 1 3 303.450 2.155 20 0 DEADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1oc2ccccc2c1CN(C)C ZINC000262841909 186311598 /nfs/dbraw/zinc/31/15/98/186311598.db2.gz RKMBCJMMADJCTE-SWLSCSKDSA-N 1 3 315.417 2.222 20 0 DEADHO CCC1(N2CCOCC2)CCN(CC[NH+]2CCCCC2)CC1 ZINC000626087775 366043681 /nfs/dbraw/zinc/04/36/81/366043681.db2.gz AWPKQALSURUYBD-UHFFFAOYSA-N 1 3 309.498 2.049 20 0 DEADHO CCCN1CCC([NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000305773189 539875061 /nfs/dbraw/zinc/87/50/61/539875061.db2.gz LLHPURRIGFISAH-RBUKOAKNSA-N 1 3 323.525 2.218 20 0 DEADHO CC(C)COC[C@@H](O)CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309731095 539877809 /nfs/dbraw/zinc/87/78/09/539877809.db2.gz PBEZWTDYQOMWIW-OALUTQOASA-N 1 3 320.477 2.132 20 0 DEADHO CC(C)COC[C@@H](O)CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309731095 539877813 /nfs/dbraw/zinc/87/78/13/539877813.db2.gz PBEZWTDYQOMWIW-OALUTQOASA-N 1 3 320.477 2.132 20 0 DEADHO CC(C)COC[C@H](O)CNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309731098 539878487 /nfs/dbraw/zinc/87/84/87/539878487.db2.gz PBEZWTDYQOMWIW-RTBURBONSA-N 1 3 320.477 2.132 20 0 DEADHO CC(C)COC[C@H](O)CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309731098 539878492 /nfs/dbraw/zinc/87/84/92/539878492.db2.gz PBEZWTDYQOMWIW-RTBURBONSA-N 1 3 320.477 2.132 20 0 DEADHO COc1ccc(CN(C)CCN2CC[NH2+]CC2)c2ccccc12 ZINC000321736174 539900991 /nfs/dbraw/zinc/90/09/91/539900991.db2.gz OYYUCXVKPARWQZ-UHFFFAOYSA-N 1 3 313.445 2.185 20 0 DEADHO C[C@@H](O)CCN(C)Cc1ccc(C[N@H+](C)CC[C@@H](C)O)cc1 ZINC000072714829 191221341 /nfs/dbraw/zinc/22/13/41/191221341.db2.gz PFKJJKFWEOKCRN-HZPDHXFCSA-N 1 3 308.466 2.092 20 0 DEADHO C[C@@H](O)CCN(C)Cc1ccc(C[N@@H+](C)CC[C@@H](C)O)cc1 ZINC000072714829 191221343 /nfs/dbraw/zinc/22/13/43/191221343.db2.gz PFKJJKFWEOKCRN-HZPDHXFCSA-N 1 3 308.466 2.092 20 0 DEADHO C[C@@H]1CN(C(C)(C)CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@@H](C)O1 ZINC000339067207 539985506 /nfs/dbraw/zinc/98/55/06/539985506.db2.gz FHERPCSAGNIBPC-VQHPVUNQSA-N 1 3 309.498 2.091 20 0 DEADHO C[C@@H]1CN(C(C)(C)CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@H](C)O1 ZINC000339067207 539985507 /nfs/dbraw/zinc/98/55/07/539985507.db2.gz FHERPCSAGNIBPC-VQHPVUNQSA-N 1 3 309.498 2.091 20 0 DEADHO CN(C)CCOc1cccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339070291 539985924 /nfs/dbraw/zinc/98/59/24/539985924.db2.gz LJVZSXVGANIYST-MSOLQXFVSA-N 1 3 317.477 2.343 20 0 DEADHO CN(C)CCOc1cccc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339070291 539985927 /nfs/dbraw/zinc/98/59/27/539985927.db2.gz LJVZSXVGANIYST-MSOLQXFVSA-N 1 3 317.477 2.343 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)NCC3CCCC3)CC2)CC1 ZINC000051235898 354382292 /nfs/dbraw/zinc/38/22/92/354382292.db2.gz GNIJUPAVQCSJJK-UHFFFAOYSA-N 1 3 322.497 2.034 20 0 DEADHO O=C(N[C@@H]1CCN(C2CC2)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000060470568 354616052 /nfs/dbraw/zinc/61/60/52/354616052.db2.gz PZBSVIHYHOLLNT-QGZVFWFLSA-N 1 3 313.445 2.249 20 0 DEADHO CCN(CC)CC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000067595082 354769910 /nfs/dbraw/zinc/76/99/10/354769910.db2.gz CNZRCVQTXULYAJ-GOSISDBHSA-N 1 3 317.477 2.357 20 0 DEADHO CCN(CC)CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000067595082 354769914 /nfs/dbraw/zinc/76/99/14/354769914.db2.gz CNZRCVQTXULYAJ-GOSISDBHSA-N 1 3 317.477 2.357 20 0 DEADHO C[C@H](C[NH2+]Cc1ccc(OCCN(C)C)cc1)Cn1cccn1 ZINC000069787221 354876873 /nfs/dbraw/zinc/87/68/73/354876873.db2.gz DGZVQHSJWBWVRR-MRXNPFEDSA-N 1 3 316.449 2.249 20 0 DEADHO O=C(NCCN1CCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000073418160 354958182 /nfs/dbraw/zinc/95/81/82/354958182.db2.gz HFOJBDJOXBHLBW-UHFFFAOYSA-N 1 3 301.434 2.108 20 0 DEADHO Cc1cc(NC(=O)CCN(C)C2CC[NH+](C(C)C)CC2)no1 ZINC000073895219 354990194 /nfs/dbraw/zinc/99/01/94/354990194.db2.gz GDAOWCIUBWUIIH-UHFFFAOYSA-N 1 3 308.426 2.116 20 0 DEADHO CC(C)N1CCCN(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000076075898 355123475 /nfs/dbraw/zinc/12/34/75/355123475.db2.gz UEJVWNZAGFPNFV-QGZVFWFLSA-N 1 3 324.513 2.234 20 0 DEADHO CCC[C@@H]([NH3+])C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000382695447 540123329 /nfs/dbraw/zinc/12/33/29/540123329.db2.gz JMJDYUUSUPVFCN-NVXWUHKLSA-N 1 3 303.450 2.237 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000387709051 540129053 /nfs/dbraw/zinc/12/90/53/540129053.db2.gz KQLZIRXMAPEPLI-CYBMUJFWSA-N 1 3 305.422 2.085 20 0 DEADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC000081126904 355408829 /nfs/dbraw/zinc/40/88/29/355408829.db2.gz HZYIWRFPMLMDQM-SFHVURJKSA-N 1 3 317.477 2.451 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000085362873 295905227 /nfs/dbraw/zinc/90/52/27/295905227.db2.gz STYQYDNECWXTKE-GJZGRUSLSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@H](CCN(C)[C@@H]1CCCC[C@H]1O)[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426217536 540173222 /nfs/dbraw/zinc/17/32/22/540173222.db2.gz VJGKVAOZXGYOOV-DUQPFJRNSA-N 1 3 312.498 2.236 20 0 DEADHO C[C@H](CCN(C)[C@@H]1CCCC[C@H]1O)[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426217536 540173226 /nfs/dbraw/zinc/17/32/26/540173226.db2.gz VJGKVAOZXGYOOV-DUQPFJRNSA-N 1 3 312.498 2.236 20 0 DEADHO C[C@H](CC[N@H+](C)[C@@H]1CCCC[C@H]1O)N(C)[C@@H]1CCCC[C@H]1O ZINC000426217536 540173231 /nfs/dbraw/zinc/17/32/31/540173231.db2.gz VJGKVAOZXGYOOV-DUQPFJRNSA-N 1 3 312.498 2.236 20 0 DEADHO C[C@H](CC[N@@H+](C)[C@@H]1CCCC[C@H]1O)N(C)[C@@H]1CCCC[C@H]1O ZINC000426217536 540173234 /nfs/dbraw/zinc/17/32/34/540173234.db2.gz VJGKVAOZXGYOOV-DUQPFJRNSA-N 1 3 312.498 2.236 20 0 DEADHO C[C@H](CCN(C)C[C@@H]1CCCOC1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000431601950 540176638 /nfs/dbraw/zinc/17/66/38/540176638.db2.gz GBAYCHNHAQPPOU-SQNIBIBYSA-N 1 3 312.498 2.482 20 0 DEADHO C[C@H](CCN(C)C[C@@H]1CCCOC1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000431601950 540176642 /nfs/dbraw/zinc/17/66/42/540176642.db2.gz GBAYCHNHAQPPOU-SQNIBIBYSA-N 1 3 312.498 2.482 20 0 DEADHO C[C@H](CC[N@H+](C)C[C@@H]1CCCOC1)N(C)C[C@@H]1CCCOC1 ZINC000431601950 540176647 /nfs/dbraw/zinc/17/66/47/540176647.db2.gz GBAYCHNHAQPPOU-SQNIBIBYSA-N 1 3 312.498 2.482 20 0 DEADHO C[C@H](CC[N@@H+](C)C[C@@H]1CCCOC1)N(C)C[C@@H]1CCCOC1 ZINC000431601950 540176652 /nfs/dbraw/zinc/17/66/52/540176652.db2.gz GBAYCHNHAQPPOU-SQNIBIBYSA-N 1 3 312.498 2.482 20 0 DEADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccc(CCNC(C)=O)cc2)C1 ZINC000092739764 355649116 /nfs/dbraw/zinc/64/91/16/355649116.db2.gz IZPAVEXTJZNUJG-MAUKXSAKSA-N 1 3 317.477 2.358 20 0 DEADHO CC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc(CCNC(C)=O)cc2)C1 ZINC000092739764 355649119 /nfs/dbraw/zinc/64/91/19/355649119.db2.gz IZPAVEXTJZNUJG-MAUKXSAKSA-N 1 3 317.477 2.358 20 0 DEADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(CCNC(C)=O)cc2)C1 ZINC000092739764 355649121 /nfs/dbraw/zinc/64/91/21/355649121.db2.gz IZPAVEXTJZNUJG-MAUKXSAKSA-N 1 3 317.477 2.358 20 0 DEADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](CO)C2)CC1 ZINC000092763831 355649986 /nfs/dbraw/zinc/64/99/86/355649986.db2.gz ZSUHRFFJFYVSJS-QGZVFWFLSA-N 1 3 317.477 2.033 20 0 DEADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](CO)C2)CC1 ZINC000092763831 355649991 /nfs/dbraw/zinc/64/99/91/355649991.db2.gz ZSUHRFFJFYVSJS-QGZVFWFLSA-N 1 3 317.477 2.033 20 0 DEADHO CN1CCC[C@H](CNC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000111862748 355751411 /nfs/dbraw/zinc/75/14/11/355751411.db2.gz LZLUNVLQHSRIRA-QGZVFWFLSA-N 1 3 324.513 2.284 20 0 DEADHO CCN1CCC(N(C)C(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000236854576 356292044 /nfs/dbraw/zinc/29/20/44/356292044.db2.gz IIFBELAJPUYHGL-KRWDZBQOSA-N 1 3 303.450 2.409 20 0 DEADHO C[C@H](NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCC[NH2+]1 ZINC000400363735 283156056 /nfs/dbraw/zinc/15/60/56/283156056.db2.gz QVWLTERKKAYOMO-UHOSZYNNSA-N 1 3 317.477 2.008 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCCN1CCC(C)CC1 ZINC000357611049 535306931 /nfs/dbraw/zinc/30/69/31/535306931.db2.gz UVXLVSQQYQJBIT-MRXNPFEDSA-N 1 3 312.502 2.138 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCCN1CCC(C)CC1 ZINC000357611049 535306939 /nfs/dbraw/zinc/30/69/39/535306939.db2.gz UVXLVSQQYQJBIT-MRXNPFEDSA-N 1 3 312.502 2.138 20 0 DEADHO CN(C)CCOc1ccc(-c2noc([C@@H]3CC[N@H+](C)C3)n2)cc1 ZINC000349993968 356499016 /nfs/dbraw/zinc/49/90/16/356499016.db2.gz OVBPDFXRRZWVQJ-CQSZACIVSA-N 1 3 316.405 2.096 20 0 DEADHO CN(C)CCOc1ccc(-c2noc([C@@H]3CC[N@@H+](C)C3)n2)cc1 ZINC000349993968 356499020 /nfs/dbraw/zinc/49/90/20/356499020.db2.gz OVBPDFXRRZWVQJ-CQSZACIVSA-N 1 3 316.405 2.096 20 0 DEADHO CN(C)C[C@@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000237016796 202123131 /nfs/dbraw/zinc/12/31/31/202123131.db2.gz QTEUFVXDSNVNFR-NXCDMZCRSA-N 1 3 315.461 2.326 20 0 DEADHO C[C@@H]([NH2+]C1CC1)C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000423770732 283200294 /nfs/dbraw/zinc/20/02/94/283200294.db2.gz IEUSSPUFCSEYOV-IAQYHMDHSA-N 1 3 309.841 2.199 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000237032431 202129298 /nfs/dbraw/zinc/12/92/98/202129298.db2.gz REJOVHKGGAGSKK-ZOBUZTSGSA-N 1 3 305.466 2.387 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000237032431 202129301 /nfs/dbraw/zinc/12/93/01/202129301.db2.gz REJOVHKGGAGSKK-ZOBUZTSGSA-N 1 3 305.466 2.387 20 0 DEADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C[C@@H](N)c1ccccc1 ZINC000237076407 202144344 /nfs/dbraw/zinc/14/43/44/202144344.db2.gz WLWCKKHXAIQCIS-IAGOWNOFSA-N 1 3 303.450 2.409 20 0 DEADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C[C@@H](N)c1ccccc1 ZINC000237076407 202144346 /nfs/dbraw/zinc/14/43/46/202144346.db2.gz WLWCKKHXAIQCIS-IAGOWNOFSA-N 1 3 303.450 2.409 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2occc2c1 ZINC000626916307 366358091 /nfs/dbraw/zinc/35/80/91/366358091.db2.gz VPQIICDLBYFXED-UHFFFAOYSA-N 1 3 318.421 2.390 20 0 DEADHO C[C@H](CN1CCN(c2ccccc2)CC1)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000578668610 356854599 /nfs/dbraw/zinc/85/45/99/356854599.db2.gz JIFWVDWDBWMPAS-KURKYZTESA-N 1 3 316.493 2.057 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000579731482 357025378 /nfs/dbraw/zinc/02/53/78/357025378.db2.gz ZZCAXJVUHGPYJD-AEFFLSMTSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000579731482 357025380 /nfs/dbraw/zinc/02/53/80/357025380.db2.gz ZZCAXJVUHGPYJD-AEFFLSMTSA-N 1 3 315.461 2.061 20 0 DEADHO O=C(Nc1cccc2c1CCNC2)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000581358341 357173278 /nfs/dbraw/zinc/17/32/78/357173278.db2.gz DURQVRPKKHWGRF-HNNXBMFYSA-N 1 3 314.433 2.034 20 0 DEADHO N[C@@H]1Cc2ccccc2N(C(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000581365008 357174023 /nfs/dbraw/zinc/17/40/23/357174023.db2.gz ZMSQBKHZHNMGME-IAGOWNOFSA-N 1 3 309.413 2.383 20 0 DEADHO COC(=O)COc1ccccc1[C@H](C)N[C@@H]1CC12CC[NH2+]CC2 ZINC000591581211 357737966 /nfs/dbraw/zinc/73/79/66/357737966.db2.gz NSBJZTJKNVPGHZ-XJKSGUPXSA-N 1 3 318.417 2.031 20 0 DEADHO CC(C)(CNC(=O)NC[C@@H]1CCN1C(C)(C)C)C[NH+]1CCCC1 ZINC000661405616 540320015 /nfs/dbraw/zinc/32/00/15/540320015.db2.gz XGVONXFLOYENDY-HNNXBMFYSA-N 1 3 324.513 2.280 20 0 DEADHO CCS(=O)(=O)c1ccc(C[NH2+][C@H]2C[C@H](C)N(C)C[C@@H]2C)cc1 ZINC000179951333 199098391 /nfs/dbraw/zinc/09/83/91/199098391.db2.gz XUMHFTDGHGKREU-ZQIUZPCESA-N 1 3 324.490 2.299 20 0 DEADHO O=C1O[C@@]2(CN1CN1CCC[C@H]1C1CCC1)C[NH+]1CCC2CC1 ZINC000496213827 283383518 /nfs/dbraw/zinc/38/35/18/283383518.db2.gz FHOYWYJMWLJWLH-FUHWJXTLSA-N 1 3 319.449 2.125 20 0 DEADHO CCC[NH2+]CCNC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000418359026 283388378 /nfs/dbraw/zinc/38/83/78/283388378.db2.gz RUTCZJGMLNGPKU-MRXNPFEDSA-N 1 3 306.454 2.109 20 0 DEADHO CC(C)(C)OC(=O)NCC1(C[NH2+]CCCN2CCCC2)CC1 ZINC000496279606 283394719 /nfs/dbraw/zinc/39/47/19/283394719.db2.gz ZEIMIOHAVRRZFJ-UHFFFAOYSA-N 1 3 311.470 2.367 20 0 DEADHO CC(C)(C)OC(=O)NCC1(CNCCC[NH+]2CCCC2)CC1 ZINC000496279606 283394724 /nfs/dbraw/zinc/39/47/24/283394724.db2.gz ZEIMIOHAVRRZFJ-UHFFFAOYSA-N 1 3 311.470 2.367 20 0 DEADHO CN(C)CCOc1ccc(CC[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000667847684 540539167 /nfs/dbraw/zinc/53/91/67/540539167.db2.gz SUKUJPGFZLICKT-IEBWSBKVSA-N 1 3 318.461 2.327 20 0 DEADHO [NH3+]C[C@@H]1CCCN(C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000428525123 237179654 /nfs/dbraw/zinc/17/96/54/237179654.db2.gz YMYGUJSTPKLKCL-KRWDZBQOSA-N 1 3 315.461 2.096 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC000668302547 540642576 /nfs/dbraw/zinc/64/25/76/540642576.db2.gz JSFGIHDHXCWIGL-HZPDHXFCSA-N 1 3 309.498 2.155 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H](N)Cc2ccccc2)C1 ZINC000237536155 202275363 /nfs/dbraw/zinc/27/53/63/202275363.db2.gz JETCXJWTGVRWAT-AEFFLSMTSA-N 1 3 317.477 2.185 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H](N)Cc2ccccc2)C1 ZINC000237536155 202275366 /nfs/dbraw/zinc/27/53/66/202275366.db2.gz JETCXJWTGVRWAT-AEFFLSMTSA-N 1 3 317.477 2.185 20 0 DEADHO C[C@H]1CCC[C@](CNC(=O)[C@@H](N)Cc2ccccc2)([NH+](C)C)C1 ZINC000237545519 202278005 /nfs/dbraw/zinc/27/80/05/202278005.db2.gz PVABZRLGWMRYDV-IEZWGBDMSA-N 1 3 317.477 2.183 20 0 DEADHO C[C@]1(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CC[NH2+]C1 ZINC000237563102 202284648 /nfs/dbraw/zinc/28/46/48/202284648.db2.gz FLWUKSOMTDSMQY-YOEHRIQHSA-N 1 3 321.490 2.076 20 0 DEADHO C[C@H](C(=O)NCc1ccc2c(c1)C[NH2+]C2)[C@@H](N)c1ccccc1 ZINC000188724099 200294756 /nfs/dbraw/zinc/29/47/56/200294756.db2.gz ZQPYKWLMBFXWSW-SCLBCKFNSA-N 1 3 309.413 2.242 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000601283676 359993264 /nfs/dbraw/zinc/99/32/64/359993264.db2.gz HPQBILSEKPZZJV-DLBZAZTESA-N 1 3 324.513 2.279 20 0 DEADHO O=C([C@@H]1CCCCN1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000237936110 296009181 /nfs/dbraw/zinc/00/91/81/296009181.db2.gz YICSMJJRJJVDIT-IRXDYDNUSA-N 1 3 307.482 2.243 20 0 DEADHO O[C@]12C[C@H]1CN(Cc1ccc(OCC[NH+]3CCCC3)cc1)CC2 ZINC000668598805 540696694 /nfs/dbraw/zinc/69/66/94/540696694.db2.gz NTBRAVRNGYLDFO-PKOBYXMFSA-N 1 3 316.445 2.118 20 0 DEADHO CCOC(=O)c1ccc(C[NH2+]CC2(CN(C)C)CCCC2)[nH]1 ZINC000602619338 360460177 /nfs/dbraw/zinc/46/01/77/360460177.db2.gz YAYHZZRKZFBYDQ-UHFFFAOYSA-N 1 3 307.438 2.403 20 0 DEADHO CCOC(=O)c1ccc(CNCC2CC[NH+](CC3CC3)CC2)[nH]1 ZINC000602717038 360515572 /nfs/dbraw/zinc/51/55/72/360515572.db2.gz KOPDJDIHVGVNIE-UHFFFAOYSA-N 1 3 319.449 2.403 20 0 DEADHO Cc1ccc(C[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc1Cl ZINC000443986350 238133494 /nfs/dbraw/zinc/13/34/94/238133494.db2.gz WANIIEQZCJEMHW-OAHLLOKOSA-N 1 3 323.868 2.325 20 0 DEADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000669418933 540829339 /nfs/dbraw/zinc/82/93/39/540829339.db2.gz ILGGHANPMWQQJM-SJORKVTESA-N 1 3 318.465 2.039 20 0 DEADHO CCCCN(C)CCNC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669477968 540840875 /nfs/dbraw/zinc/84/08/75/540840875.db2.gz LTUJIPOJEFLPLS-IRXDYDNUSA-N 1 3 324.513 2.140 20 0 DEADHO CC[C@@H]1CN(C(=O)NCCN2CCCC[C@H]2CC)CC[C@@H]1[NH3+] ZINC000669489825 540843068 /nfs/dbraw/zinc/84/30/68/540843068.db2.gz LGJDZUSSMNFOCW-OAGGEKHMSA-N 1 3 310.486 2.020 20 0 DEADHO C[C@@H](NC(=O)N1CCC(C)([NH3+])CC1)[C@H](c1ccccc1)N(C)C ZINC000669583284 540868780 /nfs/dbraw/zinc/86/87/80/540868780.db2.gz ARTLWHONBLCCHD-GDBMZVCRSA-N 1 3 318.465 2.201 20 0 DEADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N[C@H]1CCC[NH2+]C1)N(C)C ZINC000669583450 540869036 /nfs/dbraw/zinc/86/90/36/540869036.db2.gz CWNGARLUOVXXOG-YQQAZPJKSA-N 1 3 318.465 2.037 20 0 DEADHO C[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccco1 ZINC000607637844 361100083 /nfs/dbraw/zinc/10/00/83/361100083.db2.gz KRRROWBBXUXDLH-CQSZACIVSA-N 1 3 319.449 2.058 20 0 DEADHO COC(=O)CC1(NCc2ccc(OCC[NH+](C)C)cc2)CCC1 ZINC000611479632 361606243 /nfs/dbraw/zinc/60/62/43/361606243.db2.gz QWVZPODLXODQOJ-UHFFFAOYSA-N 1 3 320.433 2.202 20 0 DEADHO C[C@@H](NCCOCC[NH+](C)C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000447601541 239035374 /nfs/dbraw/zinc/03/53/74/239035374.db2.gz QGADHCCAIWYKEZ-CYBMUJFWSA-N 1 3 319.449 2.145 20 0 DEADHO C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000447956851 239188541 /nfs/dbraw/zinc/18/85/41/239188541.db2.gz WEVZWUNSIGOFMP-CVEARBPZSA-N 1 3 324.513 2.280 20 0 DEADHO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1cccc(CN3CCCC3)c1)C2 ZINC000621695526 364512278 /nfs/dbraw/zinc/51/22/78/364512278.db2.gz WNAFARNZQYTZSS-IEBWSBKVSA-N 1 3 313.445 2.236 20 0 DEADHO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000622111591 364667549 /nfs/dbraw/zinc/66/75/49/364667549.db2.gz QRQSXIVTXXQDES-OAHLLOKOSA-N 1 3 312.502 2.233 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000623054724 364869532 /nfs/dbraw/zinc/86/95/32/364869532.db2.gz XOEYBMGREPHWIM-OAHLLOKOSA-N 1 3 302.422 2.012 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)c1 ZINC000623063602 364872603 /nfs/dbraw/zinc/87/26/03/364872603.db2.gz HSWNYMZKWIXUPP-YOEHRIQHSA-N 1 3 302.422 2.093 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000623067726 364873929 /nfs/dbraw/zinc/87/39/29/364873929.db2.gz KZBBGWFFODYILM-UAGQMJEPSA-N 1 3 316.449 2.339 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000623067536 364873954 /nfs/dbraw/zinc/87/39/54/364873954.db2.gz HXYBIHUKVQVUEM-YQQAZPJKSA-N 1 3 316.449 2.258 20 0 DEADHO CN(CCCNCc1ncc(C(C)(C)C)s1)CC[NH+](C)C ZINC000623087943 364881605 /nfs/dbraw/zinc/88/16/05/364881605.db2.gz PSSKRXHJIWJARX-UHFFFAOYSA-N 1 3 312.527 2.414 20 0 DEADHO C[C@@H](Cc1coc2ccccc12)NC[C@@H](O)C[NH+]1CCCC1 ZINC000449095288 240050914 /nfs/dbraw/zinc/05/09/14/240050914.db2.gz XNSVCWWGIZXNDD-GOEBONIOSA-N 1 3 302.418 2.410 20 0 DEADHO C[C@@H](NC(=O)N1C[C@@H](C)NC[C@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000418180785 296071340 /nfs/dbraw/zinc/07/13/40/296071340.db2.gz KTKLUGQSWLPBKK-KCYZZUKISA-N 1 3 318.465 2.070 20 0 DEADHO CCOC[C@H](O)CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449160617 240146125 /nfs/dbraw/zinc/14/61/25/240146125.db2.gz CBJBHHQWWDOMFX-VQIMIIECSA-N 1 3 320.477 2.069 20 0 DEADHO COc1cc(F)cc(CN(C)CCC[N@H+](C)CCN(C)C)c1 ZINC000449327222 240373409 /nfs/dbraw/zinc/37/34/09/240373409.db2.gz BYHKFIFEBGSZHU-UHFFFAOYSA-N 1 3 311.445 2.150 20 0 DEADHO COc1cc(F)cc(CN(C)CCC[N@@H+](C)CCN(C)C)c1 ZINC000449327222 240373424 /nfs/dbraw/zinc/37/34/24/240373424.db2.gz BYHKFIFEBGSZHU-UHFFFAOYSA-N 1 3 311.445 2.150 20 0 DEADHO C[N@@H+]1CC[C@@H](N[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1(C)C ZINC000623521646 365061262 /nfs/dbraw/zinc/06/12/62/365061262.db2.gz ACRJDGFGFGWNGD-CVEARBPZSA-N 1 3 322.497 2.129 20 0 DEADHO C[N@H+]1CC[C@@H](N[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1(C)C ZINC000623521646 365061265 /nfs/dbraw/zinc/06/12/65/365061265.db2.gz ACRJDGFGFGWNGD-CVEARBPZSA-N 1 3 322.497 2.129 20 0 DEADHO C[N@@H+]1CC[C@@H](N[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1(C)C ZINC000623521648 365062126 /nfs/dbraw/zinc/06/21/26/365062126.db2.gz ACRJDGFGFGWNGD-HZPDHXFCSA-N 1 3 322.497 2.129 20 0 DEADHO C[N@H+]1CC[C@@H](N[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1(C)C ZINC000623521648 365062130 /nfs/dbraw/zinc/06/21/30/365062130.db2.gz ACRJDGFGFGWNGD-HZPDHXFCSA-N 1 3 322.497 2.129 20 0 DEADHO CN(C)Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000628754137 366955999 /nfs/dbraw/zinc/95/59/99/366955999.db2.gz GPYXAJQWNHCBHS-INIZCTEOSA-N 1 3 303.450 2.210 20 0 DEADHO CN(C)Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000628754137 366956003 /nfs/dbraw/zinc/95/60/03/366956003.db2.gz GPYXAJQWNHCBHS-INIZCTEOSA-N 1 3 303.450 2.210 20 0 DEADHO CCc1ccc(C2CCN(CCN3CC[NH2+]CC3)CC2)cc1 ZINC000629584801 367263386 /nfs/dbraw/zinc/26/33/86/367263386.db2.gz ZMAFXXAVTBJHQO-UHFFFAOYSA-N 1 3 301.478 2.334 20 0 DEADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCCCN1 ZINC000164727395 284006679 /nfs/dbraw/zinc/00/66/79/284006679.db2.gz FCNBHZYOQWGBPR-KRWDZBQOSA-N 1 3 301.434 2.041 20 0 DEADHO C[C@H](Cn1cncn1)[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000631661610 368331781 /nfs/dbraw/zinc/33/17/81/368331781.db2.gz ADBAJFZNGHODAH-NUJGCVRESA-N 1 3 313.449 2.024 20 0 DEADHO C[C@H](Cn1cncn1)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631661610 368331787 /nfs/dbraw/zinc/33/17/87/368331787.db2.gz ADBAJFZNGHODAH-NUJGCVRESA-N 1 3 313.449 2.024 20 0 DEADHO C[C@H](Cn1cncn1)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631661610 368331793 /nfs/dbraw/zinc/33/17/93/368331793.db2.gz ADBAJFZNGHODAH-NUJGCVRESA-N 1 3 313.449 2.024 20 0 DEADHO [NH3+]Cc1cn([C@H]2CCN(CCc3c(F)cccc3Cl)C2)nn1 ZINC000631846176 368422498 /nfs/dbraw/zinc/42/24/98/368422498.db2.gz WGAZUOGECVERNJ-LBPRGKRZSA-N 1 3 323.803 2.019 20 0 DEADHO CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](n2cc(CN)nn2)C1 ZINC000631845759 368423155 /nfs/dbraw/zinc/42/31/55/368423155.db2.gz KFOJMRUCYFQUBR-JKSUJKDBSA-N 1 3 303.385 2.274 20 0 DEADHO CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](n2cc(CN)nn2)C1 ZINC000631845759 368423159 /nfs/dbraw/zinc/42/31/59/368423159.db2.gz KFOJMRUCYFQUBR-JKSUJKDBSA-N 1 3 303.385 2.274 20 0 DEADHO CN(C)CCOc1ccc(CN2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000678264641 541702306 /nfs/dbraw/zinc/70/23/06/541702306.db2.gz PIUFHCSBUNEOJG-QGZVFWFLSA-N 1 3 305.466 2.011 20 0 DEADHO C[C@@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)[C@@H](C[NH3+])C1 ZINC000261877091 203140920 /nfs/dbraw/zinc/14/09/20/203140920.db2.gz SYOFMKVDEAAMPG-CRAIPNDOSA-N 1 3 315.461 2.482 20 0 DEADHO C[C@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)[C@@H](C[NH3+])C1 ZINC000261877093 203141513 /nfs/dbraw/zinc/14/15/13/203141513.db2.gz SYOFMKVDEAAMPG-MAUKXSAKSA-N 1 3 315.461 2.482 20 0 DEADHO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000262625401 203354347 /nfs/dbraw/zinc/35/43/47/203354347.db2.gz BNJLOXYWBOYSHJ-BFHYXJOUSA-N 1 3 307.463 2.129 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000262650687 203366095 /nfs/dbraw/zinc/36/60/95/203366095.db2.gz QTTMZIWJRHKUIY-NRSFXHEJSA-N 1 3 315.461 2.283 20 0 DEADHO CCC[C@](C)(N)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000262694604 203384920 /nfs/dbraw/zinc/38/49/20/203384920.db2.gz CGYFDUWQJCUKER-SFHVURJKSA-N 1 3 321.465 2.151 20 0 DEADHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccccc1N(C)C ZINC000093946564 193331382 /nfs/dbraw/zinc/33/13/82/193331382.db2.gz JDKBYYRRQIEBMJ-MRXNPFEDSA-N 1 3 318.509 2.429 20 0 DEADHO C[C@@H]1C[C@@H](Nc2cccc(CN3CCN(C)CC3)c2)CC[N@@H+]1C ZINC000679010796 541796003 /nfs/dbraw/zinc/79/60/03/541796003.db2.gz JUYTYGWQYOWILC-APWZRJJASA-N 1 3 316.493 2.329 20 0 DEADHO C[C@@H]1C[C@@H](Nc2cccc(CN3CCN(C)CC3)c2)CC[N@H+]1C ZINC000679010796 541796006 /nfs/dbraw/zinc/79/60/06/541796006.db2.gz JUYTYGWQYOWILC-APWZRJJASA-N 1 3 316.493 2.329 20 0 DEADHO COCc1cccc(CN(C)CC[N@H+](C)C2CCN(C)CC2)c1 ZINC000271709888 209143527 /nfs/dbraw/zinc/14/35/27/209143527.db2.gz PDXZAQXYOXGFDN-UHFFFAOYSA-N 1 3 319.493 2.291 20 0 DEADHO COCc1cccc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)c1 ZINC000271709888 209143531 /nfs/dbraw/zinc/14/35/31/209143531.db2.gz PDXZAQXYOXGFDN-UHFFFAOYSA-N 1 3 319.493 2.291 20 0 DEADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCN1C ZINC000266457363 205360423 /nfs/dbraw/zinc/36/04/23/205360423.db2.gz YXBWHQWMLNCXFM-QZTJIDSGSA-N 1 3 315.461 2.061 20 0 DEADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCN1C ZINC000266457363 205360427 /nfs/dbraw/zinc/36/04/27/205360427.db2.gz YXBWHQWMLNCXFM-QZTJIDSGSA-N 1 3 315.461 2.061 20 0 DEADHO O=C1[C@@H](N2CCC([C@@H]3CC[NH2+]C3)CC2)CCN1C1CCCCC1 ZINC000530222603 284377819 /nfs/dbraw/zinc/37/78/19/284377819.db2.gz SBXHOGJERIFQKA-AEFFLSMTSA-N 1 3 319.493 2.242 20 0 DEADHO COc1cccc([C@@H]2CN(CCN3CC[NH2+]CC3)CC2(C)C)c1 ZINC000530232035 284381784 /nfs/dbraw/zinc/38/17/84/284381784.db2.gz VQBVVZSRWICLHV-SFHVURJKSA-N 1 3 317.477 2.026 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000267399036 206038131 /nfs/dbraw/zinc/03/81/31/206038131.db2.gz JDECXLVZMMPOOB-SJLPKXTDSA-N 1 3 317.477 2.353 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000267399036 206038133 /nfs/dbraw/zinc/03/81/33/206038133.db2.gz JDECXLVZMMPOOB-SJLPKXTDSA-N 1 3 317.477 2.353 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000337640885 284577087 /nfs/dbraw/zinc/57/70/87/284577087.db2.gz UKUJUPIAGFAIJP-MAUKXSAKSA-N 1 3 305.466 2.444 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000105134574 194077607 /nfs/dbraw/zinc/07/76/07/194077607.db2.gz WBKCJKMBYYMRGW-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000105134574 194077610 /nfs/dbraw/zinc/07/76/10/194077610.db2.gz WBKCJKMBYYMRGW-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO COc1ccc(C[C@@H](C)CNC[C@@H](O)C[NH+]2CCCC2)cc1F ZINC000273827668 211093606 /nfs/dbraw/zinc/09/36/06/211093606.db2.gz YGSJYLLGQWRZGE-GDBMZVCRSA-N 1 3 324.440 2.059 20 0 DEADHO C[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)c1cnn(C)c1 ZINC000268888953 207058419 /nfs/dbraw/zinc/05/84/19/207058419.db2.gz OQBPCQILRAWFQA-OAHLLOKOSA-N 1 3 316.449 2.254 20 0 DEADHO C[C@@H](CNC(=O)NC1CCN(C2CC2)CC1)C[NH+]1CCCCC1 ZINC000057042180 184025824 /nfs/dbraw/zinc/02/58/24/184025824.db2.gz NLSMPUNLSLPBMZ-HNNXBMFYSA-N 1 3 322.497 2.034 20 0 DEADHO CN1CCC(O)(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000268956866 207120791 /nfs/dbraw/zinc/12/07/91/207120791.db2.gz DRJWUJGQLDRTQG-QZTJIDSGSA-N 1 3 302.462 2.444 20 0 DEADHO COC[C@H](CCO)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269053751 207203556 /nfs/dbraw/zinc/20/35/56/207203556.db2.gz YLJDOXJHPXPSMK-NJAFHUGGSA-N 1 3 306.450 2.027 20 0 DEADHO COC[C@H](CCO)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269053751 207203561 /nfs/dbraw/zinc/20/35/61/207203561.db2.gz YLJDOXJHPXPSMK-NJAFHUGGSA-N 1 3 306.450 2.027 20 0 DEADHO O=C(NCC[C@@H]1CC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000269167804 207290676 /nfs/dbraw/zinc/29/06/76/207290676.db2.gz FVXJKPIPXVIKMC-INIZCTEOSA-N 1 3 315.461 2.014 20 0 DEADHO C[C@@H]1CN(C(=O)c2oc3ccccc3c2CN(C)C)CC[C@H]1[NH3+] ZINC000269219416 207339929 /nfs/dbraw/zinc/33/99/29/207339929.db2.gz QWLLKUVVRFEQFI-IUODEOHRSA-N 1 3 315.417 2.304 20 0 DEADHO C[C@@H]1CN(C(=O)c2oc3ccccc3c2CN(C)C)CC[C@@H]1[NH3+] ZINC000269219414 207340144 /nfs/dbraw/zinc/34/01/44/207340144.db2.gz QWLLKUVVRFEQFI-DOMZBBRYSA-N 1 3 315.417 2.304 20 0 DEADHO CCO[C@H]1C[C@H]([NH2+]CCCCN2CCN(C)CC2)C12CCCC2 ZINC000539500025 285078776 /nfs/dbraw/zinc/07/87/76/285078776.db2.gz XAPUVBQTDFKDAO-ROUUACIJSA-N 1 3 323.525 2.341 20 0 DEADHO COc1ccc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1O ZINC000556963701 291853206 /nfs/dbraw/zinc/85/32/06/291853206.db2.gz YGEXKGSKKUQKDQ-QAPCUYQASA-N 1 3 320.433 2.119 20 0 DEADHO CN1CCC[C@H]2C[N@H+](Cc3cc4ccccc4[nH]c3=O)CC[C@@H]21 ZINC000158832867 197304234 /nfs/dbraw/zinc/30/42/34/197304234.db2.gz AZUZUBOHKMQSDS-YJBOKZPZSA-N 1 3 311.429 2.444 20 0 DEADHO CN1CCC[C@H]2C[N@@H+](Cc3cc4ccccc4[nH]c3=O)CC[C@@H]21 ZINC000158832867 197304236 /nfs/dbraw/zinc/30/42/36/197304236.db2.gz AZUZUBOHKMQSDS-YJBOKZPZSA-N 1 3 311.429 2.444 20 0 DEADHO COc1cc2nccc(NC[C@@H](C3CC3)[NH+](C)C)c2cc1OC ZINC000413121519 533145177 /nfs/dbraw/zinc/14/51/77/533145177.db2.gz GOPLTMQKGMDVCL-INIZCTEOSA-N 1 3 315.417 2.426 20 0 DEADHO COc1cc2nccc(NC[C@H](C)C[NH+](C)C)c2cc1OC ZINC000413304175 533146132 /nfs/dbraw/zinc/14/61/32/533146132.db2.gz PGTZNYNNJAIERJ-LBPRGKRZSA-N 1 3 303.406 2.284 20 0 DEADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@@H](C(N)=O)C1 ZINC000155054704 197018255 /nfs/dbraw/zinc/01/82/55/197018255.db2.gz UNNFPIFZCYRKER-QGZVFWFLSA-N 1 3 317.477 2.342 20 0 DEADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@@H](C(N)=O)C1 ZINC000155054704 197018256 /nfs/dbraw/zinc/01/82/56/197018256.db2.gz UNNFPIFZCYRKER-QGZVFWFLSA-N 1 3 317.477 2.342 20 0 DEADHO COCCOCc1ccc(C[N@@H+]2CC[C@@H](CN(C)C)C2)cc1 ZINC000289531466 221045090 /nfs/dbraw/zinc/04/50/90/221045090.db2.gz GOGUKCMCWBADTN-SFHVURJKSA-N 1 3 306.450 2.233 20 0 DEADHO COCCOCc1ccc(C[N@H+]2CC[C@@H](CN(C)C)C2)cc1 ZINC000289531466 221045094 /nfs/dbraw/zinc/04/50/94/221045094.db2.gz GOGUKCMCWBADTN-SFHVURJKSA-N 1 3 306.450 2.233 20 0 DEADHO CC(C)C[NH2+]C1(C)CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001368657100 1148555680 /nfs/dbraw/zinc/55/56/80/1148555680.db2.gz CPSHVGTZJMDSFP-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](NCCCc1nc(-c2ccc(F)cc2)no1)C1C[NH2+]C1 ZINC000423035544 533390338 /nfs/dbraw/zinc/39/03/38/533390338.db2.gz RTHRFWVDLRSWIO-LLVKDONJSA-N 1 3 304.369 2.006 20 0 DEADHO C[C@@H]([NH2+]CCCc1nc(-c2ccc(F)cc2)no1)C1CNC1 ZINC000423035544 533390346 /nfs/dbraw/zinc/39/03/46/533390346.db2.gz RTHRFWVDLRSWIO-LLVKDONJSA-N 1 3 304.369 2.006 20 0 DEADHO C[C@@H](NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCC[NH2+]1 ZINC000423076320 533422384 /nfs/dbraw/zinc/42/23/84/533422384.db2.gz QVWLTERKKAYOMO-QRQLOZEOSA-N 1 3 317.477 2.008 20 0 DEADHO COc1cccc(N2CC[C@H]([NH2+][C@@H]3CCCC[C@@H]3CN)C2)c1 ZINC000422719573 533588136 /nfs/dbraw/zinc/58/81/36/533588136.db2.gz YVUVJNVVSLIQAQ-RVKKMQEKSA-N 1 3 303.450 2.381 20 0 DEADHO COc1cccc(N2CC[C@H](N[C@@H]3CCCC[C@@H]3C[NH3+])C2)c1 ZINC000422719573 533588137 /nfs/dbraw/zinc/58/81/37/533588137.db2.gz YVUVJNVVSLIQAQ-RVKKMQEKSA-N 1 3 303.450 2.381 20 0 DEADHO CSCC[C@@H](N[C@@H](C)CCC[NH3+])c1nnc2ccccn21 ZINC000422798998 533612511 /nfs/dbraw/zinc/61/25/11/533612511.db2.gz UPGUVPMMWJRVGB-QWHCGFSZSA-N 1 3 307.467 2.241 20 0 DEADHO Cc1cc(CN2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)ccc1-n1cncn1 ZINC000422561338 533636149 /nfs/dbraw/zinc/63/61/49/533636149.db2.gz KRKAHNFVKVHZGL-QRTARXTBSA-N 1 3 313.449 2.381 20 0 DEADHO O=C(NCC[NH+]1CCCCC1)c1ccc(Nc2ccncc2)cc1 ZINC000345803026 132743966 /nfs/dbraw/zinc/74/39/66/132743966.db2.gz SBPXAENLFAENAD-UHFFFAOYSA-N 1 3 324.428 2.463 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000355414057 133025370 /nfs/dbraw/zinc/02/53/70/133025370.db2.gz YJJHBBAYUQSHJB-YVSFHVDLSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000355414057 133025371 /nfs/dbraw/zinc/02/53/71/133025371.db2.gz YJJHBBAYUQSHJB-YVSFHVDLSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](CN(C)C)NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000355860579 133053118 /nfs/dbraw/zinc/05/31/18/133053118.db2.gz MSPFBRSFOIRPBC-HOCLYGCPSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H](CN(C)C)NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000355860579 133053119 /nfs/dbraw/zinc/05/31/19/133053119.db2.gz MSPFBRSFOIRPBC-HOCLYGCPSA-N 1 3 310.486 2.033 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000357920506 133109837 /nfs/dbraw/zinc/10/98/37/133109837.db2.gz OWGLGWPJYPPODK-HUUCEWRRSA-N 1 3 310.486 2.056 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000357920506 133109838 /nfs/dbraw/zinc/10/98/38/133109838.db2.gz OWGLGWPJYPPODK-HUUCEWRRSA-N 1 3 310.486 2.056 20 0 DEADHO C[C@H]1CCCN(CCNC(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000358264496 133131934 /nfs/dbraw/zinc/13/19/34/133131934.db2.gz LQZZZCFCXZEWTA-INIZCTEOSA-N 1 3 324.513 2.140 20 0 DEADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)[C@H](C)OC)CC1 ZINC000359989457 133156725 /nfs/dbraw/zinc/15/67/25/133156725.db2.gz YDYSPKCEMLFULC-IRXDYDNUSA-N 1 3 319.493 2.337 20 0 DEADHO C[C@H]1C[C@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)CCN1C ZINC000360260151 133171862 /nfs/dbraw/zinc/17/18/62/133171862.db2.gz CRJJKQFLMXTUCF-WMLDXEAASA-N 1 3 318.465 2.030 20 0 DEADHO C[C@H](NCC1(O)CC[NH+](C)CC1)c1cc(F)c(F)c(F)c1 ZINC000361879054 133197253 /nfs/dbraw/zinc/19/72/53/133197253.db2.gz FLTFKFMNRMSLOS-JTQLQIEISA-N 1 3 302.340 2.211 20 0 DEADHO CC[C@H](C)[C@H]1CCCCN1CC(=O)NC1CC[NH+](CC)CC1 ZINC000362482457 133232611 /nfs/dbraw/zinc/23/26/11/133232611.db2.gz DQEQKSFXJXIKLK-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1cccc(C)c1OC[C@@H](O)CNC1CC[NH+](C2CC2)CC1 ZINC000563095587 292031199 /nfs/dbraw/zinc/03/11/99/292031199.db2.gz DIAQFRDUDJMARR-SFHVURJKSA-N 1 3 318.461 2.260 20 0 DEADHO CN(CCCN(C)C(=O)C[N@@H+]1CCC(C)(C)C1)Cc1ccco1 ZINC000564352886 292093320 /nfs/dbraw/zinc/09/33/20/292093320.db2.gz XRLIADPPQBVIAS-UHFFFAOYSA-N 1 3 321.465 2.292 20 0 DEADHO CN(CCCN(C)C(=O)C[N@H+]1CCC(C)(C)C1)Cc1ccco1 ZINC000564352886 292093322 /nfs/dbraw/zinc/09/33/22/292093322.db2.gz XRLIADPPQBVIAS-UHFFFAOYSA-N 1 3 321.465 2.292 20 0 DEADHO C[C@H]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CCN1C ZINC000564466683 292096706 /nfs/dbraw/zinc/09/67/06/292096706.db2.gz SXHVYCHVECAYNU-WMLDXEAASA-N 1 3 303.450 2.003 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000246551998 145105994 /nfs/dbraw/zinc/10/59/94/145105994.db2.gz DGCXZKZFDZMDER-IRXDYDNUSA-N 1 3 322.497 2.131 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000247033423 145124667 /nfs/dbraw/zinc/12/46/67/145124667.db2.gz RECZERHAMNSLJA-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000247033423 145124668 /nfs/dbraw/zinc/12/46/68/145124668.db2.gz RECZERHAMNSLJA-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CCN(CC)C[C@@H]1C ZINC000247098074 145126301 /nfs/dbraw/zinc/12/63/01/145126301.db2.gz SCHOOKMEIFSJRV-FUHWJXTLSA-N 1 3 317.477 2.355 20 0 DEADHO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)N(C)C ZINC000249032872 145175901 /nfs/dbraw/zinc/17/59/01/145175901.db2.gz RQNWKSMKMCMYRH-LEUOFYLZSA-N 1 3 315.461 2.248 20 0 DEADHO C[C@@H](NC(=O)[C@@H]1CCCCN1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261539442 145206538 /nfs/dbraw/zinc/20/65/38/145206538.db2.gz CLIIZWPYSMFRFX-NJAFHUGGSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H](NC(=O)[C@@H]1CCCCN1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261539442 145206539 /nfs/dbraw/zinc/20/65/39/145206539.db2.gz CLIIZWPYSMFRFX-NJAFHUGGSA-N 1 3 315.461 2.155 20 0 DEADHO O=C(CC[C@H]1CC[NH2+]C1)NC1CCN(Cc2ccccc2)CC1 ZINC000261557020 145208143 /nfs/dbraw/zinc/20/81/43/145208143.db2.gz WRGIHCDJRNALAX-INIZCTEOSA-N 1 3 315.461 2.157 20 0 DEADHO Cc1ccc(C(=O)NCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000261754738 145222566 /nfs/dbraw/zinc/22/25/66/145222566.db2.gz PJCQGVJYTPWLAV-KSZLIROESA-N 1 3 315.461 2.235 20 0 DEADHO C[C@H]([NH3+])CC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000261763896 145224436 /nfs/dbraw/zinc/22/44/36/145224436.db2.gz IGBPYXCUQSPHPM-KBPBESRZSA-N 1 3 309.479 2.375 20 0 DEADHO [NH3+]C[C@@H]1CN(CCC(=O)Nc2cccnc2)C[C@H]1c1ccccc1 ZINC000261876033 145235985 /nfs/dbraw/zinc/23/59/85/145235985.db2.gz XXGBOJPORQGFMX-AEFFLSMTSA-N 1 3 324.428 2.085 20 0 DEADHO C[C@H]([NH3+])CC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000261891556 145238378 /nfs/dbraw/zinc/23/83/78/145238378.db2.gz UAJZJRSTQDCQMG-DOTOQJQBSA-N 1 3 303.450 2.313 20 0 DEADHO C[C@@]1(C[NH3+])CCN(CCC(=O)NCc2ccccc2Cl)C1 ZINC000261901841 145239625 /nfs/dbraw/zinc/23/96/25/145239625.db2.gz WPFLCLKDNUXQPN-INIZCTEOSA-N 1 3 309.841 2.017 20 0 DEADHO C[C@@]1(CN)CC[N@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000261901841 145239627 /nfs/dbraw/zinc/23/96/27/145239627.db2.gz WPFLCLKDNUXQPN-INIZCTEOSA-N 1 3 309.841 2.017 20 0 DEADHO C[C@@]1(CN)CC[N@@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000261901841 145239631 /nfs/dbraw/zinc/23/96/31/145239631.db2.gz WPFLCLKDNUXQPN-INIZCTEOSA-N 1 3 309.841 2.017 20 0 DEADHO [NH3+]CC[C@@H]1CCCN(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)C1 ZINC000261952266 145246007 /nfs/dbraw/zinc/24/60/07/145246007.db2.gz NHEBYVYENDCHJI-BBWFWOEESA-N 1 3 307.482 2.228 20 0 DEADHO c1ccc(-c2cccc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)c2)nc1 ZINC000262082852 145259929 /nfs/dbraw/zinc/25/99/29/145259929.db2.gz FNSAGSJZVGBEAW-LJQANCHMSA-N 1 3 322.456 2.228 20 0 DEADHO C[C@@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])N1CCC[C@H](C)C1 ZINC000262266490 145272093 /nfs/dbraw/zinc/27/20/93/145272093.db2.gz JXCDLBDXNCHMLL-GPNCCUPLSA-N 1 3 321.509 2.377 20 0 DEADHO C[C@@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])N1CCC(C)CC1 ZINC000262363021 145279147 /nfs/dbraw/zinc/27/91/47/145279147.db2.gz VTPVTENKWRACIH-HYLCPLCXSA-N 1 3 321.509 2.377 20 0 DEADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262376630 145279937 /nfs/dbraw/zinc/27/99/37/145279937.db2.gz XIHRPQMWJHHZEO-GPNCCUPLSA-N 1 3 321.509 2.377 20 0 DEADHO COC1([C@@H](C)NCc2ccncc2OCC[NH+](C)C)CCCC1 ZINC000421851579 292136294 /nfs/dbraw/zinc/13/62/94/292136294.db2.gz GMHBDWFMLKRFJQ-OAHLLOKOSA-N 1 3 321.465 2.459 20 0 DEADHO COc1ccccc1N1CCN(C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000262451188 145284786 /nfs/dbraw/zinc/28/47/86/145284786.db2.gz HVQZZZRNKUWQJP-JKSUJKDBSA-N 1 3 303.450 2.205 20 0 DEADHO O=C(c1cccc(CN2CCCC2)c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262614360 145296648 /nfs/dbraw/zinc/29/66/48/145296648.db2.gz FSXUSFLRSZLPIR-MSOLQXFVSA-N 1 3 313.445 2.249 20 0 DEADHO NC1(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCCC1 ZINC000262924961 145311697 /nfs/dbraw/zinc/31/16/97/145311697.db2.gz FMYWNKPQPLRPFH-UHFFFAOYSA-N 1 3 301.312 2.374 20 0 DEADHO OC[C@H](Cc1ccccc1)N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000318237329 145367856 /nfs/dbraw/zinc/36/78/56/145367856.db2.gz YVZAKXNICZGWLD-CADBVGFASA-N 1 3 302.462 2.490 20 0 DEADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336654586 145396702 /nfs/dbraw/zinc/39/67/02/145396702.db2.gz CDTCBKIYYKSLMA-JQHSSLGASA-N 1 3 317.477 2.387 20 0 DEADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336654586 145396703 /nfs/dbraw/zinc/39/67/03/145396703.db2.gz CDTCBKIYYKSLMA-JQHSSLGASA-N 1 3 317.477 2.387 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000346100792 146015845 /nfs/dbraw/zinc/01/58/45/146015845.db2.gz DLIUBFUKPYCAQN-IYBDPMFKSA-N 1 3 317.477 2.280 20 0 DEADHO c1cncc(CN2CCC(N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)c1 ZINC000346106692 146016384 /nfs/dbraw/zinc/01/63/84/146016384.db2.gz SKTSXANJXAFMJD-RTBURBONSA-N 1 3 314.477 2.262 20 0 DEADHO c1cncc(CN2CCC(N[C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)c1 ZINC000346106692 146016385 /nfs/dbraw/zinc/01/63/85/146016385.db2.gz SKTSXANJXAFMJD-RTBURBONSA-N 1 3 314.477 2.262 20 0 DEADHO C[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)[C@@H]1CCCO1 ZINC000346567912 146103530 /nfs/dbraw/zinc/10/35/30/146103530.db2.gz VSQHXMKVGOZCKQ-BEFAXECRSA-N 1 3 318.461 2.300 20 0 DEADHO C[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)[C@H]1CCCO1 ZINC000346567915 146103645 /nfs/dbraw/zinc/10/36/45/146103645.db2.gz VSQHXMKVGOZCKQ-DNVCBOLYSA-N 1 3 318.461 2.300 20 0 DEADHO [NH3+]CCCOC1CCN(Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000346686586 146124974 /nfs/dbraw/zinc/12/49/74/146124974.db2.gz RKHVTUCLUGWVJN-UHFFFAOYSA-N 1 3 315.417 2.270 20 0 DEADHO COc1ccc(CCN[C@H]2CCC[C@H]([NH3+])C2)c(OC)c1OC ZINC000565224991 292148756 /nfs/dbraw/zinc/14/87/56/292148756.db2.gz AWORQCCHSNSOJA-KBPBESRZSA-N 1 3 308.422 2.114 20 0 DEADHO COc1ccc(CC[NH2+][C@H]2CCC[C@H](N)C2)c(OC)c1OC ZINC000565224991 292148758 /nfs/dbraw/zinc/14/87/58/292148758.db2.gz AWORQCCHSNSOJA-KBPBESRZSA-N 1 3 308.422 2.114 20 0 DEADHO CC[C@@H]1CC[C@H]1[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000348115273 146218764 /nfs/dbraw/zinc/21/87/64/146218764.db2.gz UQUHQVZZQPOMTB-NVXWUHKLSA-N 1 3 303.450 2.256 20 0 DEADHO Cn1cc(CC[N@H+](C)CC2CCN(c3ccncc3)CC2)cn1 ZINC000348321016 146254616 /nfs/dbraw/zinc/25/46/16/146254616.db2.gz RCCWRZWSIBODBM-UHFFFAOYSA-N 1 3 313.449 2.206 20 0 DEADHO Cn1cc(CC[N@@H+](C)CC2CCN(c3ccncc3)CC2)cn1 ZINC000348321016 146254618 /nfs/dbraw/zinc/25/46/18/146254618.db2.gz RCCWRZWSIBODBM-UHFFFAOYSA-N 1 3 313.449 2.206 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)NC3(C)CCCC3)CC2)CC1 ZINC000348393350 146265187 /nfs/dbraw/zinc/26/51/87/146265187.db2.gz QPQNYOSRWVAFFI-UHFFFAOYSA-N 1 3 322.497 2.177 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000348567796 146287922 /nfs/dbraw/zinc/28/79/22/146287922.db2.gz FMGDDNXYOZQVOZ-BRWVUGGUSA-N 1 3 324.513 2.423 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000348567796 146287923 /nfs/dbraw/zinc/28/79/23/146287923.db2.gz FMGDDNXYOZQVOZ-BRWVUGGUSA-N 1 3 324.513 2.423 20 0 DEADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1c[nH]nc1C(C)(C)C ZINC000349060037 146345426 /nfs/dbraw/zinc/34/54/26/146345426.db2.gz DRDUTDFLSCYIEQ-UHFFFAOYSA-N 1 3 321.513 2.165 20 0 DEADHO C[C@H](C[NH+](C)C)NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000349438334 146378618 /nfs/dbraw/zinc/37/86/18/146378618.db2.gz VNZYRRKRVIWJMQ-WBVHZDCISA-N 1 3 318.465 2.073 20 0 DEADHO COc1ccc(NC(=O)[C@H](C)N2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358504182 147147156 /nfs/dbraw/zinc/14/71/56/147147156.db2.gz HNKRHYYNTTVRQO-AWEZNQCLSA-N 1 3 317.433 2.098 20 0 DEADHO CC(C)CCC[C@@H](C)NC(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358509041 147147437 /nfs/dbraw/zinc/14/74/37/147147437.db2.gz MMXGMJHZHPKVTB-MRXNPFEDSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000358854987 147219277 /nfs/dbraw/zinc/21/92/77/147219277.db2.gz KSLZALJAHFOOPO-PBHICJAKSA-N 1 3 321.440 2.249 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000358854987 147219279 /nfs/dbraw/zinc/21/92/79/147219279.db2.gz KSLZALJAHFOOPO-PBHICJAKSA-N 1 3 321.440 2.249 20 0 DEADHO C[C@@H](C(=O)N1CCC2(CC[NH2+]CC2)CC1)[C@@H](N)c1ccccc1 ZINC000358886718 147224928 /nfs/dbraw/zinc/22/49/28/147224928.db2.gz MLXAGGFXZPFBLY-NVXWUHKLSA-N 1 3 315.461 2.315 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000359291045 147300114 /nfs/dbraw/zinc/30/01/14/147300114.db2.gz QJGBSNYPCFIQBK-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO [NH3+]CCCN(CCC(=O)Nc1cccnc1)Cc1ccccc1 ZINC000359299943 147303113 /nfs/dbraw/zinc/30/31/13/147303113.db2.gz GSMRODALRDMDKS-UHFFFAOYSA-N 1 3 312.417 2.261 20 0 DEADHO Cc1nnc([C@@H](C)NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)s1 ZINC000565635671 292174023 /nfs/dbraw/zinc/17/40/23/292174023.db2.gz FTGHWIGKRWQEAN-ZWNOBZJWSA-N 1 3 323.466 2.224 20 0 DEADHO Cc1nnc([C@@H](C)NC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)s1 ZINC000565635671 292174025 /nfs/dbraw/zinc/17/40/25/292174025.db2.gz FTGHWIGKRWQEAN-ZWNOBZJWSA-N 1 3 323.466 2.224 20 0 DEADHO CC(C)[C@]1(C)C[C@H]1NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000565701535 292176626 /nfs/dbraw/zinc/17/66/26/292176626.db2.gz IRRCLZTVBLWABE-NZSAHSFTSA-N 1 3 316.445 2.174 20 0 DEADHO CCOC(=O)N1CC[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000375094577 148330919 /nfs/dbraw/zinc/33/09/19/148330919.db2.gz OKIMKIBUSVWACO-OAHLLOKOSA-N 1 3 309.454 2.214 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000073967692 401726335 /nfs/dbraw/zinc/72/63/35/401726335.db2.gz MJMUXNOFUILGDT-SJORKVTESA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H](CNC(=O)NCCN1CCC[C@@H](C)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000071932869 401698834 /nfs/dbraw/zinc/69/88/34/401698834.db2.gz KHKGHVKJHAKQEQ-IXDOHACOSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](CNC(=O)NCCN1CCC[C@@H](C)C1)[N@H+]1CCC[C@H](C)C1 ZINC000071932869 401698837 /nfs/dbraw/zinc/69/88/37/401698837.db2.gz KHKGHVKJHAKQEQ-IXDOHACOSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H]([NH2+]CCc1cnn(C)c1)c1ccc(OCCN(C)C)cc1 ZINC000127787998 401750328 /nfs/dbraw/zinc/75/03/28/401750328.db2.gz OYOYZNUILRDGQL-HNNXBMFYSA-N 1 3 316.449 2.254 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CN1C1CC1 ZINC000130381739 401829287 /nfs/dbraw/zinc/82/92/87/401829287.db2.gz GRZFILWRFYIXBQ-PMPSAXMXSA-N 1 3 322.497 2.127 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CN1C1CC1 ZINC000130381739 401829290 /nfs/dbraw/zinc/82/92/90/401829290.db2.gz GRZFILWRFYIXBQ-PMPSAXMXSA-N 1 3 322.497 2.127 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cnn(CC)c2)[C@@H](C)C1 ZINC000115628881 401833517 /nfs/dbraw/zinc/83/35/17/401833517.db2.gz KYUOSLOULJMNQX-DOTOQJQBSA-N 1 3 308.470 2.130 20 0 DEADHO C[C@H](NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[C@H](c1ccccc1)N(C)C ZINC000418160261 533675397 /nfs/dbraw/zinc/67/53/97/533675397.db2.gz BEGQROYPPCBCJV-XOSAIJSUSA-N 1 3 318.465 2.104 20 0 DEADHO CCOC(=O)N1CCC([NH2+]CCCN2CCCC[C@H]2C)CC1 ZINC000079065400 401869598 /nfs/dbraw/zinc/86/95/98/401869598.db2.gz RZLMBXMVZZCSRK-OAHLLOKOSA-N 1 3 311.470 2.461 20 0 DEADHO CCC(C)(C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000119464744 401952073 /nfs/dbraw/zinc/95/20/73/401952073.db2.gz IOOQSSABNXCBNM-UHFFFAOYSA-N 1 3 310.486 2.033 20 0 DEADHO CC(C)[NH2+]CCC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000566191069 292216216 /nfs/dbraw/zinc/21/62/16/292216216.db2.gz OBUHXTDAGVJAKJ-HNNXBMFYSA-N 1 3 318.465 2.111 20 0 DEADHO C[C@H]1CN(C)CC[C@@H]1[NH2+]CCCN1CCc2ccccc2C1 ZINC000122783240 402094459 /nfs/dbraw/zinc/09/44/59/402094459.db2.gz OQKFTXSWTOQFIQ-LPHOPBHVSA-N 1 3 301.478 2.365 20 0 DEADHO CCN(C)CCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000066987936 402149324 /nfs/dbraw/zinc/14/93/24/402149324.db2.gz GXPSOOWURFORIE-UHFFFAOYSA-N 1 3 318.465 2.033 20 0 DEADHO CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000153452027 402146274 /nfs/dbraw/zinc/14/62/74/402146274.db2.gz OYEVWXYAVORDPS-HZPDHXFCSA-N 1 3 324.513 2.375 20 0 DEADHO CC[C@H](C(=O)NCc1ccccc1C[N@H+](C)C(C)C)N(C)C ZINC000124832750 402199269 /nfs/dbraw/zinc/19/92/69/402199269.db2.gz QIKMSQDLEWQWFX-QGZVFWFLSA-N 1 3 305.466 2.483 20 0 DEADHO CC[C@H](C(=O)NCc1ccccc1C[N@@H+](C)C(C)C)N(C)C ZINC000124832750 402199272 /nfs/dbraw/zinc/19/92/72/402199272.db2.gz QIKMSQDLEWQWFX-QGZVFWFLSA-N 1 3 305.466 2.483 20 0 DEADHO CC[C@@H](C(=O)NCc1cccc(C[NH+](CC)CC)c1)N(C)C ZINC000124862017 402201228 /nfs/dbraw/zinc/20/12/28/402201228.db2.gz PKVGPLIPWMPZIN-KRWDZBQOSA-N 1 3 305.466 2.485 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)CN(C)C(C)C)Cc1ccccc1 ZINC000067573030 402163169 /nfs/dbraw/zinc/16/31/69/402163169.db2.gz AQFSASWAQGZBGO-GOSISDBHSA-N 1 3 319.493 2.396 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103092088 402178366 /nfs/dbraw/zinc/17/83/66/402178366.db2.gz WZKXUOAWHQIXKW-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)C[C@@H](CN(C)C)NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106534887 402214407 /nfs/dbraw/zinc/21/44/07/402214407.db2.gz HSKYDSUASHHATM-CVEARBPZSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)C[C@@H](CN(C)C)NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106534887 402214409 /nfs/dbraw/zinc/21/44/09/402214409.db2.gz HSKYDSUASHHATM-CVEARBPZSA-N 1 3 324.513 2.279 20 0 DEADHO CCOC(=O)N[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)CC(C)C ZINC000125556028 402238893 /nfs/dbraw/zinc/23/88/93/402238893.db2.gz QBZXKFDPHORBIV-YHUYYLMFSA-N 1 3 313.486 2.466 20 0 DEADHO CCOC(=O)N[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)CC(C)C ZINC000125556028 402238895 /nfs/dbraw/zinc/23/88/95/402238895.db2.gz QBZXKFDPHORBIV-YHUYYLMFSA-N 1 3 313.486 2.466 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N(C)C ZINC000125011707 402208725 /nfs/dbraw/zinc/20/87/25/402208725.db2.gz JSCIICBNBUITSA-GDBMZVCRSA-N 1 3 323.506 2.417 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N(C)C ZINC000125011707 402208728 /nfs/dbraw/zinc/20/87/28/402208728.db2.gz JSCIICBNBUITSA-GDBMZVCRSA-N 1 3 323.506 2.417 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NC1CC1 ZINC000184746089 402296719 /nfs/dbraw/zinc/29/67/19/402296719.db2.gz IYPINZAKPPLDIJ-HUUCEWRRSA-N 1 3 315.461 2.011 20 0 DEADHO CN(C)[C@H](CNC(=O)C[NH+]1C[C@H]2CCC[C@@H]2C1)c1ccccc1 ZINC000184980549 402313979 /nfs/dbraw/zinc/31/39/79/402313979.db2.gz OOWZQGCYCPRXSH-KZNAEPCWSA-N 1 3 315.461 2.137 20 0 DEADHO CC(C)(C[NH3+])C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000236612727 402368365 /nfs/dbraw/zinc/36/83/65/402368365.db2.gz KZUIMWXTAQGXAJ-ZDUSSCGKSA-N 1 3 309.479 2.061 20 0 DEADHO CC(C)[C@H](CNC(=O)C(C)(C)C[NH3+])N1CCc2ccccc2C1 ZINC000236653909 402371794 /nfs/dbraw/zinc/37/17/94/402371794.db2.gz AZBTZWXMBQZCTF-KRWDZBQOSA-N 1 3 317.477 2.170 20 0 DEADHO CC[C@H](N)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000236917873 402388466 /nfs/dbraw/zinc/38/84/66/402388466.db2.gz YYUYHVJBTNCWFI-PBHICJAKSA-N 1 3 303.450 2.272 20 0 DEADHO CC[C@H](N)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000236917873 402388468 /nfs/dbraw/zinc/38/84/68/402388468.db2.gz YYUYHVJBTNCWFI-PBHICJAKSA-N 1 3 303.450 2.272 20 0 DEADHO CCCC[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000236756320 402380940 /nfs/dbraw/zinc/38/09/40/402380940.db2.gz AKHQVXYSFHEVEF-IAGOWNOFSA-N 1 3 305.466 2.485 20 0 DEADHO O=C1CC[C@@H]2C[N@H+](CCCN3CCCCC3)CC[C@@H]2N1C1CC1 ZINC000162003034 402406209 /nfs/dbraw/zinc/40/62/09/402406209.db2.gz LIHVCCRRVFVVAF-AEFFLSMTSA-N 1 3 319.493 2.338 20 0 DEADHO O=C1CC[C@@H]2C[N@@H+](CCCN3CCCCC3)CC[C@@H]2N1C1CC1 ZINC000162003034 402406211 /nfs/dbraw/zinc/40/62/11/402406211.db2.gz LIHVCCRRVFVVAF-AEFFLSMTSA-N 1 3 319.493 2.338 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000177584500 402418086 /nfs/dbraw/zinc/41/80/86/402418086.db2.gz RYMXBVDNGRUXPF-IAGOWNOFSA-N 1 3 303.450 2.351 20 0 DEADHO N[C@H](CC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000237837894 402422910 /nfs/dbraw/zinc/42/29/10/402422910.db2.gz NPSDEKMQHQXFNK-DLBZAZTESA-N 1 3 301.434 2.163 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000238049746 402434503 /nfs/dbraw/zinc/43/45/03/402434503.db2.gz WIAOOEHYESWBJC-DLBZAZTESA-N 1 3 301.434 2.140 20 0 DEADHO CCN1CC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)C1 ZINC000163302486 402446418 /nfs/dbraw/zinc/44/64/18/402446418.db2.gz AHZLVAFIOOJAQO-YQVWRLOYSA-N 1 3 316.493 2.223 20 0 DEADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H](C)CC(=O)N(C)C)c1 ZINC000177978957 402448284 /nfs/dbraw/zinc/44/82/84/402448284.db2.gz OCFRRADTXDMYTE-OAHLLOKOSA-N 1 3 305.466 2.483 20 0 DEADHO CC(C)[N@H+](C)Cc1cccc(CN[C@H](C)CC(=O)N(C)C)c1 ZINC000177978957 402448286 /nfs/dbraw/zinc/44/82/86/402448286.db2.gz OCFRRADTXDMYTE-OAHLLOKOSA-N 1 3 305.466 2.483 20 0 DEADHO CC[C@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000164604489 402465920 /nfs/dbraw/zinc/46/59/20/402465920.db2.gz SDKAZCPNBDKHKJ-YOEHRIQHSA-N 1 3 303.450 2.272 20 0 DEADHO CC[C@H](N)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000164604489 402465921 /nfs/dbraw/zinc/46/59/21/402465921.db2.gz SDKAZCPNBDKHKJ-YOEHRIQHSA-N 1 3 303.450 2.272 20 0 DEADHO C[C@@H](N)C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000164839285 402469619 /nfs/dbraw/zinc/46/96/19/402469619.db2.gz XDBHAWFEUCLSQI-RBSFLKMASA-N 1 3 303.450 2.128 20 0 DEADHO CCN(CC)[C@H](CNC(=O)C[C@H]1CCC[NH2+]1)c1ccsc1 ZINC000164905246 402470573 /nfs/dbraw/zinc/47/05/73/402470573.db2.gz UWPAPBBNPAYYNM-HUUCEWRRSA-N 1 3 309.479 2.389 20 0 DEADHO [NH3+]Cc1ccc(C(=O)N2CCC[C@H]2CN2CCCCC2)cc1 ZINC000165688563 402477877 /nfs/dbraw/zinc/47/78/77/402477877.db2.gz IYTVZZKBBFKLRH-KRWDZBQOSA-N 1 3 301.434 2.236 20 0 DEADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)[C@H]1CCCC[NH2+]1 ZINC000166201878 402482878 /nfs/dbraw/zinc/48/28/78/402482878.db2.gz RHQPUWDGUAEZTG-GOEBONIOSA-N 1 3 321.490 2.218 20 0 DEADHO CC[N@H+](Cc1ccc(C(=O)N2CCCNCC2)cc1)C(C)C ZINC000178359244 402489388 /nfs/dbraw/zinc/48/93/88/402489388.db2.gz HGSGKAIPFPYOLK-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO CC[N@@H+](Cc1ccc(C(=O)N2CCCNCC2)cc1)C(C)C ZINC000178359244 402489391 /nfs/dbraw/zinc/48/93/91/402489391.db2.gz HGSGKAIPFPYOLK-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO C[C@H](CNC(=O)N(C)CC1CC[NH+](C)CC1)N1CCC[C@@H](C)C1 ZINC000245811100 402489660 /nfs/dbraw/zinc/48/96/60/402489660.db2.gz GRKSQMBVGHSGKL-HZPDHXFCSA-N 1 3 324.513 2.090 20 0 DEADHO COCC[C@@](C)(O)CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000178375058 402491022 /nfs/dbraw/zinc/49/10/22/402491022.db2.gz VRRITLXJJNGJPL-BPQIPLTHSA-N 1 3 312.498 2.407 20 0 DEADHO COCC[C@@](C)(O)C[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000178375058 402491025 /nfs/dbraw/zinc/49/10/25/402491025.db2.gz VRRITLXJJNGJPL-BPQIPLTHSA-N 1 3 312.498 2.407 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000167789549 402493562 /nfs/dbraw/zinc/49/35/62/402493562.db2.gz FVYDWRQHBRZYTR-NVXWUHKLSA-N 1 3 315.461 2.328 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000245894255 402495050 /nfs/dbraw/zinc/49/50/50/402495050.db2.gz MVHIVOSIOIRUFG-SJLPKXTDSA-N 1 3 317.477 2.498 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000245894255 402495052 /nfs/dbraw/zinc/49/50/52/402495052.db2.gz MVHIVOSIOIRUFG-SJLPKXTDSA-N 1 3 317.477 2.498 20 0 DEADHO C[C@H](Cn1cc(Br)cn1)[NH2+]CCCN1CCCC1 ZINC000178413052 402495736 /nfs/dbraw/zinc/49/57/36/402495736.db2.gz HTYSUTBWRMUGHW-GFCCVEGCSA-N 1 3 315.259 2.110 20 0 DEADHO C[C@H](Cn1cc(Br)cn1)NCCC[NH+]1CCCC1 ZINC000178413052 402495739 /nfs/dbraw/zinc/49/57/39/402495739.db2.gz HTYSUTBWRMUGHW-GFCCVEGCSA-N 1 3 315.259 2.110 20 0 DEADHO C[C@H](O)C[C@H]1CCCN1C[C@H](C)C[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000246798604 402545197 /nfs/dbraw/zinc/54/51/97/402545197.db2.gz SPJFSNYRMHMQSK-TXTZMMAHSA-N 1 3 312.498 2.093 20 0 DEADHO C[C@H](O)C[C@H]1CCCN1C[C@H](C)C[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000246798604 402545199 /nfs/dbraw/zinc/54/51/99/402545199.db2.gz SPJFSNYRMHMQSK-TXTZMMAHSA-N 1 3 312.498 2.093 20 0 DEADHO C[C@H](CN1CCC[C@H]1C[C@H](C)O)C[N@@H+]1CCC[C@@H]1C[C@H](C)O ZINC000246798604 402545202 /nfs/dbraw/zinc/54/52/02/402545202.db2.gz SPJFSNYRMHMQSK-TXTZMMAHSA-N 1 3 312.498 2.093 20 0 DEADHO C[C@H](CN1CCC[C@H]1C[C@H](C)O)C[N@H+]1CCC[C@@H]1C[C@H](C)O ZINC000246798604 402545206 /nfs/dbraw/zinc/54/52/06/402545206.db2.gz SPJFSNYRMHMQSK-TXTZMMAHSA-N 1 3 312.498 2.093 20 0 DEADHO COc1cccc([C@H](C)N2CCN(CC3CC[NH2+]CC3)CC2)c1 ZINC000178980319 402561410 /nfs/dbraw/zinc/56/14/10/402561410.db2.gz BEQLSZGZUMRIME-INIZCTEOSA-N 1 3 317.477 2.373 20 0 DEADHO CC(C)[NH+](CCNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C)C(C)C ZINC000246191344 402517207 /nfs/dbraw/zinc/51/72/07/402517207.db2.gz IKADLZVRNHCCEY-HZPDHXFCSA-N 1 3 312.502 2.087 20 0 DEADHO C[C@H](CNC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000246368108 402527418 /nfs/dbraw/zinc/52/74/18/402527418.db2.gz QORTUEGBHXJOEB-TWMKSMIVSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@H](CNC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000246368108 402527420 /nfs/dbraw/zinc/52/74/20/402527420.db2.gz QORTUEGBHXJOEB-TWMKSMIVSA-N 1 3 324.513 2.088 20 0 DEADHO COC[C@H](C)[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000178699196 402527860 /nfs/dbraw/zinc/52/78/60/402527860.db2.gz ACRGQUPKHJOASV-KRWDZBQOSA-N 1 3 305.466 2.213 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000246453524 402531976 /nfs/dbraw/zinc/53/19/76/402531976.db2.gz FBHVQDAGAMTJQU-CVEARBPZSA-N 1 3 312.502 2.088 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000246453524 402531977 /nfs/dbraw/zinc/53/19/77/402531977.db2.gz FBHVQDAGAMTJQU-CVEARBPZSA-N 1 3 312.502 2.088 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247670531 402574226 /nfs/dbraw/zinc/57/42/26/402574226.db2.gz ZITKHBDGIDWIRM-SOUVJXGZSA-N 1 3 311.470 2.458 20 0 DEADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247670531 402574228 /nfs/dbraw/zinc/57/42/28/402574228.db2.gz ZITKHBDGIDWIRM-SOUVJXGZSA-N 1 3 311.470 2.458 20 0 DEADHO C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000248995977 402617147 /nfs/dbraw/zinc/61/71/47/402617147.db2.gz HUUVPJSXNAGEKN-NBOOPKSLSA-N 1 3 317.477 2.481 20 0 DEADHO C[C@@H](C[NH+]1CCC(C(=O)NCCN(C)C)CC1)c1ccccc1 ZINC000172013310 402637221 /nfs/dbraw/zinc/63/72/21/402637221.db2.gz NSNOEQAFEMPTEN-INIZCTEOSA-N 1 3 317.477 2.180 20 0 DEADHO CCO[C@H]1C[C@H]([NH2+]CCCN2CCCN(C)CC2)C12CCCC2 ZINC000181705427 402654859 /nfs/dbraw/zinc/65/48/59/402654859.db2.gz AYVLZRJOXBYEMT-ROUUACIJSA-N 1 3 323.525 2.341 20 0 DEADHO C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261831986 402718063 /nfs/dbraw/zinc/71/80/63/402718063.db2.gz BRMPEOZHNNPWKO-BFYDXBDKSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[NH+](CCNC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21)C(C)C ZINC000182190321 402670660 /nfs/dbraw/zinc/67/06/60/402670660.db2.gz RIKRSORHOCVFQF-IAGOWNOFSA-N 1 3 324.513 2.231 20 0 DEADHO CCN1CCC[C@H](NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000174239325 402733361 /nfs/dbraw/zinc/73/33/61/402733361.db2.gz HWZGUDJKDNIHJJ-DLBZAZTESA-N 1 3 322.497 2.034 20 0 DEADHO CCN1CCC[C@H](NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000174239325 402733364 /nfs/dbraw/zinc/73/33/64/402733364.db2.gz HWZGUDJKDNIHJJ-DLBZAZTESA-N 1 3 322.497 2.034 20 0 DEADHO NC[C@@H](NC(=O)CC[C@@H]1CC[NH2+]C1)c1ccc2ccccc2c1 ZINC000262928191 402737276 /nfs/dbraw/zinc/73/72/76/402737276.db2.gz ZZJFVJMMYLWXBQ-RDTXWAMCSA-N 1 3 311.429 2.346 20 0 DEADHO CN(C)CCN(C(=O)C1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000192687007 402744497 /nfs/dbraw/zinc/74/44/97/402744497.db2.gz XFXVEQKVWWQRTH-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)CCOc1cccc(NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])c1 ZINC000263307530 402756941 /nfs/dbraw/zinc/75/69/41/402756941.db2.gz YDHQGBBNHGEQAJ-AEFFLSMTSA-N 1 3 319.449 2.473 20 0 DEADHO CN(C)CCOc1cccc(NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])c1 ZINC000263307532 402757006 /nfs/dbraw/zinc/75/70/06/402757006.db2.gz YDHQGBBNHGEQAJ-SJLPKXTDSA-N 1 3 319.449 2.473 20 0 DEADHO C[C@H]([NH3+])CCC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000193298601 402769911 /nfs/dbraw/zinc/76/99/11/402769911.db2.gz GVWRBPHVKZMWGS-AWEZNQCLSA-N 1 3 303.450 2.067 20 0 DEADHO COc1cc(CN[C@H]2CCCC[C@H]2C[NH3+])cc(OC)c1OC ZINC000262126014 402722448 /nfs/dbraw/zinc/72/24/48/402722448.db2.gz LATJNDSUKUSXDJ-KBPBESRZSA-N 1 3 308.422 2.320 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000175590084 402820010 /nfs/dbraw/zinc/82/00/10/402820010.db2.gz QXANWKXMEOFVIJ-ZDUSSCGKSA-N 1 3 315.417 2.176 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000175590084 402820012 /nfs/dbraw/zinc/82/00/12/402820012.db2.gz QXANWKXMEOFVIJ-ZDUSSCGKSA-N 1 3 315.417 2.176 20 0 DEADHO COCOc1ccc(OC)cc1CNCC1(C)CC[NH+](C)CC1 ZINC000272550727 402952185 /nfs/dbraw/zinc/95/21/85/402952185.db2.gz MBVFSXKFOKGZQT-UHFFFAOYSA-N 1 3 322.449 2.499 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272250654 402914905 /nfs/dbraw/zinc/91/49/05/402914905.db2.gz IGUWIWPDNQTJNE-WMZOPIPTSA-N 1 3 317.477 2.353 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272250654 402914908 /nfs/dbraw/zinc/91/49/08/402914908.db2.gz IGUWIWPDNQTJNE-WMZOPIPTSA-N 1 3 317.477 2.353 20 0 DEADHO CN1CC[NH+](CC2CCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000265433733 402918310 /nfs/dbraw/zinc/91/83/10/402918310.db2.gz NRAIEQAINZVPHQ-UHFFFAOYSA-N 1 3 305.441 2.285 20 0 DEADHO CCC[C@](C)(N)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000272386570 402930809 /nfs/dbraw/zinc/93/08/09/402930809.db2.gz XDVCOCIXCQUATM-SFHVURJKSA-N 1 3 318.465 2.285 20 0 DEADHO CCC[C@](C)(N)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000272386570 402930810 /nfs/dbraw/zinc/93/08/10/402930810.db2.gz XDVCOCIXCQUATM-SFHVURJKSA-N 1 3 318.465 2.285 20 0 DEADHO C[C@H](CNC(=O)[C@]12CCC[C@@H]1C[NH2+]C2)N(C)Cc1ccccc1 ZINC000280779209 403036072 /nfs/dbraw/zinc/03/60/72/403036072.db2.gz IDJCYGAHLYECRP-SUMDDJOVSA-N 1 3 315.461 2.013 20 0 DEADHO CN(C)CCN1CCC([NH2+][C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000280931429 403051169 /nfs/dbraw/zinc/05/11/69/403051169.db2.gz HERWEFAGBIBIBY-LJQANCHMSA-N 1 3 317.477 2.385 20 0 DEADHO C[C@H](CCO)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000268309287 403072494 /nfs/dbraw/zinc/07/24/94/403072494.db2.gz BFDYZCIXUWOBAZ-MRXNPFEDSA-N 1 3 319.493 2.325 20 0 DEADHO Cc1cccc(C(=O)NCCN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000268769559 403112101 /nfs/dbraw/zinc/11/21/01/403112101.db2.gz DKMHLFFSQPHZAU-BFYDXBDKSA-N 1 3 303.450 2.043 20 0 DEADHO Cc1cccc(C(=O)NCCN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000268769559 403112103 /nfs/dbraw/zinc/11/21/03/403112103.db2.gz DKMHLFFSQPHZAU-BFYDXBDKSA-N 1 3 303.450 2.043 20 0 DEADHO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC1(O)CCN(C)CC1 ZINC000268947714 403121426 /nfs/dbraw/zinc/12/14/26/403121426.db2.gz BQXSCEDYFCAOBR-QGZVFWFLSA-N 1 3 308.441 2.439 20 0 DEADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCCC(=O)N(C)C ZINC000276320161 403163474 /nfs/dbraw/zinc/16/34/74/403163474.db2.gz ZYAAUCIIEMJBLU-HZPDHXFCSA-N 1 3 317.477 2.211 20 0 DEADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(Cl)nc1 ZINC000282307827 403142173 /nfs/dbraw/zinc/14/21/73/403142173.db2.gz MVTOWXWZRAGANQ-CYBMUJFWSA-N 1 3 310.873 2.412 20 0 DEADHO C[C@H](Cc1cnccn1)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000566779487 292267117 /nfs/dbraw/zinc/26/71/17/292267117.db2.gz YQGZPUWAABMGSZ-OAHLLOKOSA-N 1 3 311.433 2.309 20 0 DEADHO CC1(C)CC[C@H]1[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000284078982 403243249 /nfs/dbraw/zinc/24/32/49/403243249.db2.gz BAKHDIPMTUEFRK-QGZVFWFLSA-N 1 3 302.466 2.372 20 0 DEADHO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(OC(F)F)cc1 ZINC000298290245 403351019 /nfs/dbraw/zinc/35/10/19/403351019.db2.gz CSWVYFATGBBNDW-JSGCOSHPSA-N 1 3 314.376 2.395 20 0 DEADHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(OC(F)F)cc1 ZINC000298290239 403351373 /nfs/dbraw/zinc/35/13/73/403351373.db2.gz CSWVYFATGBBNDW-GXTWGEPZSA-N 1 3 314.376 2.395 20 0 DEADHO O=C(NCc1ccccc1CN1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000342701386 403313832 /nfs/dbraw/zinc/31/38/32/403313832.db2.gz YIQSPOVLOLVHAZ-QGZVFWFLSA-N 1 3 315.461 2.288 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000342912650 403394258 /nfs/dbraw/zinc/39/42/58/403394258.db2.gz CZJIPXDYRBZOMN-GASCZTMLSA-N 1 3 303.450 2.237 20 0 DEADHO C[C@H]1CC[C@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000345604747 403400359 /nfs/dbraw/zinc/40/03/59/403400359.db2.gz RUBPGNRPANNYRZ-GJZGRUSLSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](CCNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[NH+]1CCCCC1 ZINC000345672785 403430889 /nfs/dbraw/zinc/43/08/89/403430889.db2.gz SIJFDEJCBHTZLI-INMHGKMJSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CCCN1C ZINC000345778005 403480834 /nfs/dbraw/zinc/48/08/34/403480834.db2.gz KSXNCKNETLEGPT-ZACQAIPSSA-N 1 3 322.497 2.129 20 0 DEADHO CN1CC=C(CNC(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000343407462 403575428 /nfs/dbraw/zinc/57/54/28/403575428.db2.gz AMIPULUSBCZRBO-UHFFFAOYSA-N 1 3 322.497 2.202 20 0 DEADHO CN1CC=C(CNC(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000343407462 403575431 /nfs/dbraw/zinc/57/54/31/403575431.db2.gz AMIPULUSBCZRBO-UHFFFAOYSA-N 1 3 322.497 2.202 20 0 DEADHO C[C@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)[C@@]1(C)CCCO1 ZINC000340518790 403634683 /nfs/dbraw/zinc/63/46/83/403634683.db2.gz WULKBFXKOICHMN-KFKAGJAMSA-N 1 3 318.461 2.300 20 0 DEADHO CC[NH+]1CCC(NC[C@](C)(C(=O)OC)c2ccccc2)CC1 ZINC000347269566 403644127 /nfs/dbraw/zinc/64/41/27/403644127.db2.gz QOQXOORPCBRAIO-SFHVURJKSA-N 1 3 304.434 2.191 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000343571535 403644787 /nfs/dbraw/zinc/64/47/87/403644787.db2.gz BFIREYRIUHVLGN-DLBZAZTESA-N 1 3 307.482 2.384 20 0 DEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000343571535 403644790 /nfs/dbraw/zinc/64/47/90/403644790.db2.gz BFIREYRIUHVLGN-DLBZAZTESA-N 1 3 307.482 2.384 20 0 DEADHO COc1ccc([C@H]([NH2+]CC2(O)CCN(C)CC2)C(C)C)cc1 ZINC000271749978 286375580 /nfs/dbraw/zinc/37/55/80/286375580.db2.gz RNBVVYMCTINHHD-QGZVFWFLSA-N 1 3 306.450 2.439 20 0 DEADHO CCCN1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000343637401 403672864 /nfs/dbraw/zinc/67/28/64/403672864.db2.gz JOGAYYLBTDTHKM-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H](CCNC(=O)N[C@@H](C)CN(C)C)[N@H+](C)Cc1ccccc1 ZINC000287832151 403674764 /nfs/dbraw/zinc/67/47/64/403674764.db2.gz YGIXSIIGUXDAPN-JKSUJKDBSA-N 1 3 320.481 2.146 20 0 DEADHO C[C@H](CCNC(=O)N[C@@H](C)CN(C)C)[N@@H+](C)Cc1ccccc1 ZINC000287832151 403674766 /nfs/dbraw/zinc/67/47/66/403674766.db2.gz YGIXSIIGUXDAPN-JKSUJKDBSA-N 1 3 320.481 2.146 20 0 DEADHO C[C@H]1C[C@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)CCN1C ZINC000340930486 403702226 /nfs/dbraw/zinc/70/22/26/403702226.db2.gz ACNIGTOAPKJPST-JKSUJKDBSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@H]1C[C@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)CCN1C ZINC000340930486 403702228 /nfs/dbraw/zinc/70/22/28/403702228.db2.gz ACNIGTOAPKJPST-JKSUJKDBSA-N 1 3 324.513 2.423 20 0 DEADHO CCN1CC[C@@H]([NH2+]CC(C)(C)N2CCC(OC)CC2)[C@H](C)C1 ZINC000347419624 403702772 /nfs/dbraw/zinc/70/27/72/403702772.db2.gz CCIHNWPIICAZQH-NVXWUHKLSA-N 1 3 311.514 2.196 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)C1 ZINC000340934629 403704006 /nfs/dbraw/zinc/70/40/06/403704006.db2.gz MCMGPHUFOGYRRB-GVDBMIGSSA-N 1 3 324.513 2.375 20 0 DEADHO Cc1cc(N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)cc[nH+]1 ZINC000302786147 403726173 /nfs/dbraw/zinc/72/61/73/403726173.db2.gz WASSZRDRQUREJI-IBGZPJMESA-N 1 3 311.429 2.463 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CCCN1C ZINC000343798696 403738711 /nfs/dbraw/zinc/73/87/11/403738711.db2.gz NKSCQCUDCNXLGZ-HIFRSBDPSA-N 1 3 310.486 2.031 20 0 DEADHO CCOc1cccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)n1 ZINC000343808828 403741930 /nfs/dbraw/zinc/74/19/30/403741930.db2.gz NGKUPFAFGSMUAH-HOTGVXAUSA-N 1 3 321.465 2.459 20 0 DEADHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000333404071 403744718 /nfs/dbraw/zinc/74/47/18/403744718.db2.gz ZAFJIZIOMPHYAU-CXAGYDPISA-N 1 3 316.449 2.183 20 0 DEADHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000333404071 403744722 /nfs/dbraw/zinc/74/47/22/403744722.db2.gz ZAFJIZIOMPHYAU-CXAGYDPISA-N 1 3 316.449 2.183 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCN1CCC[C@@H](C)C1 ZINC000303613384 403756422 /nfs/dbraw/zinc/75/64/22/403756422.db2.gz OTFDNDQOULLAFO-SJORKVTESA-N 1 3 324.513 2.282 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NCCN1CCC[C@@H](C)C1 ZINC000303613384 403756423 /nfs/dbraw/zinc/75/64/23/403756423.db2.gz OTFDNDQOULLAFO-SJORKVTESA-N 1 3 324.513 2.282 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)[C@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000295233656 403805351 /nfs/dbraw/zinc/80/53/51/403805351.db2.gz SDQNVQFRRURDJF-AOIWGVFYSA-N 1 3 315.461 2.316 20 0 DEADHO C[NH+](C)Cc1cccc(CNC(=O)c2ccc3c(c2)CNC3)c1 ZINC000347703588 403814826 /nfs/dbraw/zinc/81/48/26/403814826.db2.gz ZEXFUXLJVMRYIE-UHFFFAOYSA-N 1 3 309.413 2.281 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N[C@@H]1CCN(C)[C@H](C)C1)C(C)C ZINC000347714514 403822108 /nfs/dbraw/zinc/82/21/08/403822108.db2.gz XUBRNGXQAFMZKI-HZPDHXFCSA-N 1 3 312.502 2.277 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCCN1CC ZINC000341109393 403777763 /nfs/dbraw/zinc/77/77/63/403777763.db2.gz SNJBPOVAUBAMFC-IRXDYDNUSA-N 1 3 324.513 2.425 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCCN1CC ZINC000341109393 403777766 /nfs/dbraw/zinc/77/77/66/403777766.db2.gz SNJBPOVAUBAMFC-IRXDYDNUSA-N 1 3 324.513 2.425 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000343906506 403785442 /nfs/dbraw/zinc/78/54/42/403785442.db2.gz MKYGPWSUJLNLGG-GVDBMIGSSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000343906506 403785445 /nfs/dbraw/zinc/78/54/45/403785445.db2.gz MKYGPWSUJLNLGG-GVDBMIGSSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@H](c1cccnc1)[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343917119 403790624 /nfs/dbraw/zinc/79/06/24/403790624.db2.gz CMXQUGYTEWMCTB-NUJGCVRESA-N 1 3 302.466 2.100 20 0 DEADHO C[C@H](c1cccnc1)[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343917119 403790630 /nfs/dbraw/zinc/79/06/30/403790630.db2.gz CMXQUGYTEWMCTB-NUJGCVRESA-N 1 3 302.466 2.100 20 0 DEADHO COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccncc1OCCN(C)C ZINC000344080575 403896139 /nfs/dbraw/zinc/89/61/39/403896139.db2.gz OJSQHAOTUQIKFD-WBVHZDCISA-N 1 3 321.465 2.317 20 0 DEADHO O[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)COCC1CC1 ZINC000305115123 403839077 /nfs/dbraw/zinc/83/90/77/403839077.db2.gz HSFAUEWBJZPALV-GOSISDBHSA-N 1 3 310.482 2.161 20 0 DEADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC2(O)CCOCC2)CC1 ZINC000305147672 403851945 /nfs/dbraw/zinc/85/19/45/403851945.db2.gz SFSAONVCRARPGO-DOTOQJQBSA-N 1 3 310.482 2.161 20 0 DEADHO C[C@H]1CCCC[C@H]1N1CCC([NH2+]CC2(O)CCOCC2)CC1 ZINC000305147672 403851950 /nfs/dbraw/zinc/85/19/50/403851950.db2.gz SFSAONVCRARPGO-DOTOQJQBSA-N 1 3 310.482 2.161 20 0 DEADHO CCC[NH+]1CCC(NC(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC000341235247 403852449 /nfs/dbraw/zinc/85/24/49/403852449.db2.gz ICEGICQCZUEUEU-KRWDZBQOSA-N 1 3 322.497 2.131 20 0 DEADHO C[C@H]1CN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CCN(C2CC2)C1 ZINC000333771919 403854831 /nfs/dbraw/zinc/85/48/31/403854831.db2.gz CCBNWICKLUDCEU-PBHICJAKSA-N 1 3 322.497 2.020 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](C)c2ccccc2)CC1 ZINC000411442092 403860051 /nfs/dbraw/zinc/86/00/51/403860051.db2.gz VWFDMADYXQRGDM-HNNXBMFYSA-N 1 3 303.450 2.326 20 0 DEADHO CN(Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@]1(CO)CCOC1 ZINC000411508807 403875986 /nfs/dbraw/zinc/87/59/86/403875986.db2.gz SRZQLJYZMPAEDP-LJQANCHMSA-N 1 3 318.461 2.256 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH+]1CCCC1)N1CCCCC1 ZINC000354579177 403886979 /nfs/dbraw/zinc/88/69/79/403886979.db2.gz OLXRIZAVWNXXPE-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN[C@H](CC(F)(F)F)C(C)C)CC1 ZINC000411623543 403914144 /nfs/dbraw/zinc/91/41/44/403914144.db2.gz ZMNIIYWRGKNWLG-CYBMUJFWSA-N 1 3 323.403 2.154 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)CN1CCCCC1)[NH+]1CCCCC1 ZINC000354688642 403950980 /nfs/dbraw/zinc/95/09/80/403950980.db2.gz UXMZOMMTWKRNCR-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCN(Cc2ccc(OCc3nccn3C)cc2)C1 ZINC000351858506 403968070 /nfs/dbraw/zinc/96/80/70/403968070.db2.gz DOBKILSZXJHWHD-GOEBONIOSA-N 1 3 314.433 2.168 20 0 DEADHO C[C@@H](NCCN1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347926461 403957320 /nfs/dbraw/zinc/95/73/20/403957320.db2.gz HMYIURXDOYBXJD-JFRXWTBNSA-N 1 3 321.509 2.092 20 0 DEADHO C[C@@H](NCCN1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347926461 403957330 /nfs/dbraw/zinc/95/73/30/403957330.db2.gz HMYIURXDOYBXJD-JFRXWTBNSA-N 1 3 321.509 2.092 20 0 DEADHO C[C@@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCCN(C2CCC2)C1 ZINC000347926461 403957339 /nfs/dbraw/zinc/95/73/39/403957339.db2.gz HMYIURXDOYBXJD-JFRXWTBNSA-N 1 3 321.509 2.092 20 0 DEADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCCC1CC[NH+](C)CC1 ZINC000351897203 403992342 /nfs/dbraw/zinc/99/23/42/403992342.db2.gz IAABHCBJQNVHHB-OAHLLOKOSA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@H+](CCNC(=O)N(C)[C@@H](C)C1CCN(C)CC1)C(C)C ZINC000351903524 403995903 /nfs/dbraw/zinc/99/59/03/403995903.db2.gz XXJIETQUKOROSX-HNNXBMFYSA-N 1 3 312.502 2.088 20 0 DEADHO CC[N@@H+](CCNC(=O)N(C)[C@@H](C)C1CCN(C)CC1)C(C)C ZINC000351903524 403995914 /nfs/dbraw/zinc/99/59/14/403995914.db2.gz XXJIETQUKOROSX-HNNXBMFYSA-N 1 3 312.502 2.088 20 0 DEADHO CCC[NH2+][C@@H](C)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000295757756 404011435 /nfs/dbraw/zinc/01/14/35/404011435.db2.gz QASRLYYCKBEONL-LSDHHAIUSA-N 1 3 318.465 2.111 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000347954246 403975750 /nfs/dbraw/zinc/97/57/50/403975750.db2.gz NWHUDZPAQINDDM-KRWDZBQOSA-N 1 3 303.450 2.351 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000347954246 403975751 /nfs/dbraw/zinc/97/57/51/403975751.db2.gz NWHUDZPAQINDDM-KRWDZBQOSA-N 1 3 303.450 2.351 20 0 DEADHO c1cncc(CN2CCC(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000341457954 403978058 /nfs/dbraw/zinc/97/80/58/403978058.db2.gz MPPMMTHEOJOWBS-OALUTQOASA-N 1 3 314.477 2.262 20 0 DEADHO c1cncc(CN2CCC(N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000341457954 403978063 /nfs/dbraw/zinc/97/80/63/403978063.db2.gz MPPMMTHEOJOWBS-OALUTQOASA-N 1 3 314.477 2.262 20 0 DEADHO C[C@@H](CNC(=O)[C@H]1CNCc2ccccc21)C[NH+]1CCCCC1 ZINC000321320776 404075341 /nfs/dbraw/zinc/07/53/41/404075341.db2.gz OGNWMMQQIAVYLT-YJBOKZPZSA-N 1 3 315.461 2.112 20 0 DEADHO CN(C)CCN(C(=O)C[C@@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000296082242 404085397 /nfs/dbraw/zinc/08/53/97/404085397.db2.gz QPSXCBNWPXRBFR-RDJZCZTQSA-N 1 3 303.450 2.489 20 0 DEADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccc2c(c1)CCC2 ZINC000323876345 404097014 /nfs/dbraw/zinc/09/70/14/404097014.db2.gz MLFVFUZHGDXSGY-CALCHBBNSA-N 1 3 313.445 2.045 20 0 DEADHO OC[C@@H](Cc1ccccc1)N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000317879967 404041117 /nfs/dbraw/zinc/04/11/17/404041117.db2.gz YVZAKXNICZGWLD-FCGDIQPGSA-N 1 3 302.462 2.490 20 0 DEADHO CC(=O)NCCc1ccc([C@H](C)[NH2+]CC2=CCN(C)CC2)cc1 ZINC000344301905 404041527 /nfs/dbraw/zinc/04/15/27/404041527.db2.gz RWDXSIBYIVXVCY-HNNXBMFYSA-N 1 3 315.461 2.278 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000290105694 404042212 /nfs/dbraw/zinc/04/22/12/404042212.db2.gz YAQVEFQDGTYZOH-KURKYZTESA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000341617109 404071732 /nfs/dbraw/zinc/07/17/32/404071732.db2.gz QLDYCGCFCNLOFY-VNQPRFMTSA-N 1 3 324.513 2.135 20 0 DEADHO CC(C)CCC[C@@H](C)NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000320941741 404071716 /nfs/dbraw/zinc/07/17/16/404071716.db2.gz MWVFJFJJHVACSJ-ZACQAIPSSA-N 1 3 309.498 2.249 20 0 DEADHO CCN1C[C@H](C)[C@H]([NH2+]C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000355209264 404285369 /nfs/dbraw/zinc/28/53/69/404285369.db2.gz AIDTUYREWLOMSI-QXAKKESOSA-N 1 3 301.478 2.438 20 0 DEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C)CC[C@H]1C ZINC000355502232 404344107 /nfs/dbraw/zinc/34/41/07/404344107.db2.gz GSOCVGZZXFRANN-VVLHAWIVSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C)CC[C@H]1C ZINC000355502232 404344114 /nfs/dbraw/zinc/34/41/14/404344114.db2.gz GSOCVGZZXFRANN-VVLHAWIVSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@H]([NH2+]CC1(N)CCC1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000342151350 404405451 /nfs/dbraw/zinc/40/54/51/404405451.db2.gz XTFAEURDCHARCH-STQMWFEESA-N 1 3 307.463 2.271 20 0 DEADHO C[C@@H]1CN(CCC2CC[NH+](CC3(O)CCC3)CC2)C[C@@H](C)O1 ZINC000342354905 404528179 /nfs/dbraw/zinc/52/81/79/404528179.db2.gz HHPSLXPUXZKPRS-HZPDHXFCSA-N 1 3 310.482 2.113 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CCCOCC(F)(F)F ZINC000371291839 404453798 /nfs/dbraw/zinc/45/37/98/404453798.db2.gz AASSBNQEAGHBNP-MGPQQGTHSA-N 1 3 324.387 2.139 20 0 DEADHO CN(C)Cc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000371512486 404464607 /nfs/dbraw/zinc/46/46/07/404464607.db2.gz XIHGOVWLFNGJQZ-DLBZAZTESA-N 1 3 301.434 2.105 20 0 DEADHO CN(C)Cc1ccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000371512486 404464610 /nfs/dbraw/zinc/46/46/10/404464610.db2.gz XIHGOVWLFNGJQZ-DLBZAZTESA-N 1 3 301.434 2.105 20 0 DEADHO O=C(c1cccc(CN2CCCC2)c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000291933511 404587633 /nfs/dbraw/zinc/58/76/33/404587633.db2.gz CFFMYDFPTHUFOP-ROUUACIJSA-N 1 3 313.445 2.106 20 0 DEADHO Cc1c(F)cccc1NC(=O)CCN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351482123 404596218 /nfs/dbraw/zinc/59/62/18/404596218.db2.gz YXWDGDUTCWRKRX-YDHLFZDLSA-N 1 3 305.397 2.132 20 0 DEADHO C[C@@H](CNC(=O)C1CC[NH+](C2CC2)CC1)N1CCCC[C@H]1C ZINC000338771002 404536492 /nfs/dbraw/zinc/53/64/92/404536492.db2.gz MAHSWRLPGMJSEN-CABCVRRESA-N 1 3 307.482 2.240 20 0 DEADHO COc1ccc([C@H](CO)CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000414190587 404542385 /nfs/dbraw/zinc/54/23/85/404542385.db2.gz RVGIPFDEPWLWDP-YQYZPQCESA-N 1 3 306.450 2.089 20 0 DEADHO COc1ccc([C@H](CO)CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000414190587 404542391 /nfs/dbraw/zinc/54/23/91/404542391.db2.gz RVGIPFDEPWLWDP-YQYZPQCESA-N 1 3 306.450 2.089 20 0 DEADHO Cc1ccc(CNCCc2ccc(OCC[NH+](C)C)cc2)nn1 ZINC000414332872 404581138 /nfs/dbraw/zinc/58/11/38/404581138.db2.gz LYAAQPLVJFRQEX-UHFFFAOYSA-N 1 3 314.433 2.058 20 0 DEADHO C[N@H+](C[C@@H](O)CN1CCC[C@H](Cc2ccccc2)C1)C1CC1 ZINC000351487225 404598443 /nfs/dbraw/zinc/59/84/43/404598443.db2.gz BUJCVBYCMWSQBJ-IEBWSBKVSA-N 1 3 302.462 2.396 20 0 DEADHO C[N@@H+](C[C@@H](O)CN1CCC[C@H](Cc2ccccc2)C1)C1CC1 ZINC000351487225 404598446 /nfs/dbraw/zinc/59/84/46/404598446.db2.gz BUJCVBYCMWSQBJ-IEBWSBKVSA-N 1 3 302.462 2.396 20 0 DEADHO CCc1ccc(CNC2CC[NH+](C3CCN(C)CC3)CC2)cn1 ZINC000352782235 404618122 /nfs/dbraw/zinc/61/81/22/404618122.db2.gz UZRNBNCRIXNICL-UHFFFAOYSA-N 1 3 316.493 2.292 20 0 DEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000338923213 404626042 /nfs/dbraw/zinc/62/60/42/404626042.db2.gz GXHOUJKBUZTKTI-MRXNPFEDSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@@H](O)C(F)(F)F ZINC000297806116 404629428 /nfs/dbraw/zinc/62/94/28/404629428.db2.gz XVCPVGKFKDCUPD-ZIAGYGMSSA-N 1 3 317.355 2.342 20 0 DEADHO Cc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414673872 404704946 /nfs/dbraw/zinc/70/49/46/404704946.db2.gz CZNKYKHLFHOBMD-AEFFLSMTSA-N 1 3 315.461 2.329 20 0 DEADHO Cc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414673872 404704948 /nfs/dbraw/zinc/70/49/48/404704948.db2.gz CZNKYKHLFHOBMD-AEFFLSMTSA-N 1 3 315.461 2.329 20 0 DEADHO [NH3+]C[C@H]1CN(Cc2ccc3c(c2)CCC3)CC12CCOCC2 ZINC000414779461 404732703 /nfs/dbraw/zinc/73/27/03/404732703.db2.gz KBOBISORWWYFGX-SFHVURJKSA-N 1 3 300.446 2.363 20 0 DEADHO Cc1cc2cc(CNCCCN3CC[NH2+]CC3)oc2cc1C ZINC000414780147 404733476 /nfs/dbraw/zinc/73/34/76/404733476.db2.gz KPYVRFOMDDUCTN-UHFFFAOYSA-N 1 3 301.434 2.435 20 0 DEADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC1CC[NH2+]CC1 ZINC000414786700 404735274 /nfs/dbraw/zinc/73/52/74/404735274.db2.gz XRMVLCGCVBSNHW-ZDUSSCGKSA-N 1 3 323.868 2.419 20 0 DEADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C1CCNCC1 ZINC000414786700 404735279 /nfs/dbraw/zinc/73/52/79/404735279.db2.gz XRMVLCGCVBSNHW-ZDUSSCGKSA-N 1 3 323.868 2.419 20 0 DEADHO COc1cc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc(OC)c1O ZINC000414788501 404735366 /nfs/dbraw/zinc/73/53/66/404735366.db2.gz WRMSZZUFRSDVIR-CABCVRRESA-N 1 3 320.433 2.231 20 0 DEADHO Cc1nc(COc2ccc(CN[C@@H]3CCC[C@H]3C[NH3+])cc2)no1 ZINC000414794119 404737989 /nfs/dbraw/zinc/73/79/89/404737989.db2.gz LKJKCAVAHCHBOD-GOEBONIOSA-N 1 3 316.405 2.174 20 0 DEADHO COc1cc2c(c(CNCC[C@H]3CCC[NH2+]C3)c1)O[C@@H](C)C2 ZINC000414849257 404748919 /nfs/dbraw/zinc/74/89/19/404748919.db2.gz LJCKZLVHIGVJJG-UONOGXRCSA-N 1 3 304.434 2.498 20 0 DEADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC[C@@H](C)C[NH3+] ZINC000414871100 404752852 /nfs/dbraw/zinc/75/28/52/404752852.db2.gz CXDACZCQCHVFGC-WDEREUQCSA-N 1 3 313.829 2.250 20 0 DEADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H](C)CN ZINC000414871100 404752863 /nfs/dbraw/zinc/75/28/63/404752863.db2.gz CXDACZCQCHVFGC-WDEREUQCSA-N 1 3 313.829 2.250 20 0 DEADHO C[C@H](C[NH3+])CN[C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000414872005 404754209 /nfs/dbraw/zinc/75/42/09/404754209.db2.gz DWJNKCAATAPISJ-OLZOCXBDSA-N 1 3 311.857 2.261 20 0 DEADHO C[C@H](CN)C[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000414872005 404754213 /nfs/dbraw/zinc/75/42/13/404754213.db2.gz DWJNKCAATAPISJ-OLZOCXBDSA-N 1 3 311.857 2.261 20 0 DEADHO C[C@H](CN)C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000414876015 404754881 /nfs/dbraw/zinc/75/48/81/404754881.db2.gz KQOBLGZFSQHWDW-GFCCVEGCSA-N 1 3 309.841 2.129 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC[C@@]1(C)CCC[NH2+]C1 ZINC000414898635 404761861 /nfs/dbraw/zinc/76/18/61/404761861.db2.gz BOJVNTRTTFSPMU-QRQLOZEOSA-N 1 3 301.478 2.486 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC[C@]1(C)CCC[NH2+]C1 ZINC000414898634 404761871 /nfs/dbraw/zinc/76/18/71/404761871.db2.gz BOJVNTRTTFSPMU-NZSAHSFTSA-N 1 3 301.478 2.486 20 0 DEADHO C[C@H](C[NH+](C)C)NC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000358499068 404764735 /nfs/dbraw/zinc/76/47/35/404764735.db2.gz LDEBJUSODLTEPX-OAHLLOKOSA-N 1 3 320.481 2.146 20 0 DEADHO C[C@H](C(=O)N1CCc2ccccc21)N1CCC2(C1)CC[NH2+]CC2 ZINC000358508074 404765155 /nfs/dbraw/zinc/76/51/55/404765155.db2.gz OEKFKUVAFVEWRI-OAHLLOKOSA-N 1 3 313.445 2.040 20 0 DEADHO CCC[N@H+](CC1CCCCC1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414688126 404708924 /nfs/dbraw/zinc/70/89/24/404708924.db2.gz IPUVMKSMJCMRLX-KRWDZBQOSA-N 1 3 309.498 2.476 20 0 DEADHO CCC[N@@H+](CC1CCCCC1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414688126 404708927 /nfs/dbraw/zinc/70/89/27/404708927.db2.gz IPUVMKSMJCMRLX-KRWDZBQOSA-N 1 3 309.498 2.476 20 0 DEADHO Cc1nc(CN(C)[C@H]2CCC[N@@H+](C[C@@H](N)CC(C)C)CC2)no1 ZINC000414755394 404724873 /nfs/dbraw/zinc/72/48/73/404724873.db2.gz HLKXIOBCVKMIIQ-HOTGVXAUSA-N 1 3 323.485 2.038 20 0 DEADHO Cc1nc(CN(C)[C@H]2CCC[N@H+](C[C@@H](N)CC(C)C)CC2)no1 ZINC000414755394 404724874 /nfs/dbraw/zinc/72/48/74/404724874.db2.gz HLKXIOBCVKMIIQ-HOTGVXAUSA-N 1 3 323.485 2.038 20 0 DEADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@H](CN)c1ccc(F)cc1 ZINC000358850299 404777853 /nfs/dbraw/zinc/77/78/53/404777853.db2.gz DPBSCWLOKXEKQF-IAGOWNOFSA-N 1 3 321.440 2.201 20 0 DEADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@H](CN)c1ccc(F)cc1 ZINC000358850299 404777856 /nfs/dbraw/zinc/77/78/56/404777856.db2.gz DPBSCWLOKXEKQF-IAGOWNOFSA-N 1 3 321.440 2.201 20 0 DEADHO CCc1ccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000414968755 404778824 /nfs/dbraw/zinc/77/88/24/404778824.db2.gz GHUBSAFKFZRPIG-HNNXBMFYSA-N 1 3 315.383 2.175 20 0 DEADHO COc1cc(OC)c(CNCCC[C@H]2CCC[NH2+]2)c(OC)c1 ZINC000414978188 404780079 /nfs/dbraw/zinc/78/00/79/404780079.db2.gz SKPLMJMOPVLVTR-ZDUSSCGKSA-N 1 3 308.422 2.334 20 0 DEADHO Cc1ccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1F ZINC000414995868 404783956 /nfs/dbraw/zinc/78/39/56/404783956.db2.gz WNASOWMEDSISJK-CQSZACIVSA-N 1 3 319.346 2.060 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N1CC[C@@]2(CCN(C)C2)C1)C(C)C ZINC000366278798 404784950 /nfs/dbraw/zinc/78/49/50/404784950.db2.gz JJRLIFCNTNETJB-GOSISDBHSA-N 1 3 324.513 2.233 20 0 DEADHO Clc1ccc2nc(CN[C@@H]3C[C@H]3C3CC[NH2+]CC3)cn2c1 ZINC000415004689 404786193 /nfs/dbraw/zinc/78/61/93/404786193.db2.gz IAVPYOQFKSABCC-LSDHHAIUSA-N 1 3 304.825 2.465 20 0 DEADHO COc1cc(OC)c(CNC[C@H]2CCC[C@@H]([NH3+])C2)c(OC)c1 ZINC000415003787 404786344 /nfs/dbraw/zinc/78/63/44/404786344.db2.gz XKNZAYXAFNRNSI-QWHCGFSZSA-N 1 3 308.422 2.320 20 0 DEADHO [NH3+]C[C@@H]1CC[C@H](NCc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000415046843 404795457 /nfs/dbraw/zinc/79/54/57/404795457.db2.gz VKBGZWGXHOFTRU-KOLCDFICSA-N 1 3 314.332 2.234 20 0 DEADHO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000415075091 404801077 /nfs/dbraw/zinc/80/10/77/404801077.db2.gz BAOWDLLUXXDDOM-VQHPVUNQSA-N 1 3 309.498 2.234 20 0 DEADHO C[C@H](Cn1cc(Br)cn1)N[C@@H](C[NH3+])C1CCCC1 ZINC000415073851 404801100 /nfs/dbraw/zinc/80/11/00/404801100.db2.gz ZXWROVRHHDZDGG-MFKMUULPSA-N 1 3 315.259 2.141 20 0 DEADHO C[C@@H](CC(=O)NCCc1ccccc1)N[C@H](C[NH3+])C1CCCC1 ZINC000415073498 404801179 /nfs/dbraw/zinc/80/11/79/404801179.db2.gz ZIXWBGPCCRIHIS-MAUKXSAKSA-N 1 3 317.477 2.231 20 0 DEADHO CNC(=O)c1cccc(CCN[C@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000415082905 404804033 /nfs/dbraw/zinc/80/40/33/404804033.db2.gz MQAOMYJRPCFVML-QAPCUYQASA-N 1 3 317.477 2.489 20 0 DEADHO CCOc1ccc(C2(C[NH2+]C3CCNCC3)CCOCC2)cc1 ZINC000415089168 404804823 /nfs/dbraw/zinc/80/48/23/404804823.db2.gz NCZBBJGKUBGURO-UHFFFAOYSA-N 1 3 318.461 2.475 20 0 DEADHO CCOc1ccc(C2(CNC3CC[NH2+]CC3)CCOCC2)cc1 ZINC000415089168 404804826 /nfs/dbraw/zinc/80/48/26/404804826.db2.gz NCZBBJGKUBGURO-UHFFFAOYSA-N 1 3 318.461 2.475 20 0 DEADHO Fc1ccc(CN2CCC([NH2+]C3CCNCC3)CC2)cc1F ZINC000415096875 404806784 /nfs/dbraw/zinc/80/67/84/404806784.db2.gz BVPYTXOXOBAISH-UHFFFAOYSA-N 1 3 309.404 2.271 20 0 DEADHO Fc1ccc(CN2CCC(NC3CC[NH2+]CC3)CC2)cc1F ZINC000415096875 404806787 /nfs/dbraw/zinc/80/67/87/404806787.db2.gz BVPYTXOXOBAISH-UHFFFAOYSA-N 1 3 309.404 2.271 20 0 DEADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2cccc3c2NCC3)CC1 ZINC000415106548 404809435 /nfs/dbraw/zinc/80/94/35/404809435.db2.gz JRHPDXZAXNTJQE-HKUYNNGSSA-N 1 3 315.461 2.373 20 0 DEADHO O=C(c1ccoc1)N1CCC([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000359984849 404811437 /nfs/dbraw/zinc/81/14/37/404811437.db2.gz CWCZKJSYKDYRJL-IRXDYDNUSA-N 1 3 317.433 2.101 20 0 DEADHO O=C(c1ccoc1)N1CCC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000359984849 404811441 /nfs/dbraw/zinc/81/14/41/404811441.db2.gz CWCZKJSYKDYRJL-IRXDYDNUSA-N 1 3 317.433 2.101 20 0 DEADHO O=C(c1ccoc1)N1CCC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000359984849 404811445 /nfs/dbraw/zinc/81/14/45/404811445.db2.gz CWCZKJSYKDYRJL-IRXDYDNUSA-N 1 3 317.433 2.101 20 0 DEADHO NCc1cn([C@@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)nn1 ZINC000415121901 404812488 /nfs/dbraw/zinc/81/24/88/404812488.db2.gz HRCVTDXHLIZEGY-QGZVFWFLSA-N 1 3 322.416 2.122 20 0 DEADHO NCc1cn([C@@H]2CCC[N@@H+](Cc3ccc4ncccc4c3)C2)nn1 ZINC000415121901 404812489 /nfs/dbraw/zinc/81/24/89/404812489.db2.gz HRCVTDXHLIZEGY-QGZVFWFLSA-N 1 3 322.416 2.122 20 0 DEADHO COC[C@]1(CNC2CCN(Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000414948785 404773453 /nfs/dbraw/zinc/77/34/53/404773453.db2.gz XZQZVBMLVZPQDR-LJQANCHMSA-N 1 3 317.477 2.009 20 0 DEADHO C[C@H](C[C@H](C)O)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000361028353 404884528 /nfs/dbraw/zinc/88/45/28/404884528.db2.gz FKERNDWAYGRPNZ-CVEARBPZSA-N 1 3 319.493 2.466 20 0 DEADHO C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCCN2Cc2cccc(C)c2)C1 ZINC000378185692 404886264 /nfs/dbraw/zinc/88/62/64/404886264.db2.gz YAOVVXUIZZOAMB-ZWKOTPCHSA-N 1 3 315.461 2.170 20 0 DEADHO O[C@@H]1CCN(Cc2cccc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2)C1 ZINC000361042701 404891333 /nfs/dbraw/zinc/89/13/33/404891333.db2.gz CASXWZPQDBKEQT-GBESFXJTSA-N 1 3 315.461 2.292 20 0 DEADHO O[C@@H]1CCN(Cc2cccc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)c2)C1 ZINC000361042701 404891341 /nfs/dbraw/zinc/89/13/41/404891341.db2.gz CASXWZPQDBKEQT-GBESFXJTSA-N 1 3 315.461 2.292 20 0 DEADHO CCn1cc(CCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000367017225 404899311 /nfs/dbraw/zinc/89/93/11/404899311.db2.gz VERCEYUKMNLMHB-FUHWJXTLSA-N 1 3 302.466 2.394 20 0 DEADHO CCn1cc(CCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000367017225 404899315 /nfs/dbraw/zinc/89/93/15/404899315.db2.gz VERCEYUKMNLMHB-FUHWJXTLSA-N 1 3 302.466 2.394 20 0 DEADHO C[N@@H+]1CC[C@H](NCCNC(=O)CC2CCCC2)[C@H]2CCC[C@@H]21 ZINC000353515953 404854643 /nfs/dbraw/zinc/85/46/43/404854643.db2.gz IWHFIYUCJZZXIJ-IKGGRYGDSA-N 1 3 307.482 2.145 20 0 DEADHO C[N@H+]1CC[C@H](NCCNC(=O)CC2CCCC2)[C@H]2CCC[C@@H]21 ZINC000353515953 404854646 /nfs/dbraw/zinc/85/46/46/404854646.db2.gz IWHFIYUCJZZXIJ-IKGGRYGDSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000416897810 404955316 /nfs/dbraw/zinc/95/53/16/404955316.db2.gz YBMPSJNDQIQYBB-WMLDXEAASA-N 1 3 318.465 2.017 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000423984731 404960281 /nfs/dbraw/zinc/96/02/81/404960281.db2.gz WKUJSERIOGSPTD-RBUKOAKNSA-N 1 3 323.440 2.234 20 0 DEADHO CNCc1ccccc1NC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000415901396 404964974 /nfs/dbraw/zinc/96/49/74/404964974.db2.gz MWJPEYRIACURQN-CQSZACIVSA-N 1 3 304.438 2.259 20 0 DEADHO C[NH2+]CCNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000416841581 404930399 /nfs/dbraw/zinc/93/03/99/404930399.db2.gz MIUDITARTVRERI-AWEZNQCLSA-N 1 3 324.494 2.040 20 0 DEADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCNC(C)(C)C3)ccc21 ZINC000415789346 404943697 /nfs/dbraw/zinc/94/36/97/404943697.db2.gz OFBHJPPFBRQFPJ-MRXNPFEDSA-N 1 3 316.449 2.451 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000416889533 404952332 /nfs/dbraw/zinc/95/23/32/404952332.db2.gz PUHXBJKYZTYGGG-UHFFFAOYSA-N 1 3 318.465 2.209 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CCC[NH2+]C1)c1ccsc1 ZINC000417012632 405002057 /nfs/dbraw/zinc/00/20/57/405002057.db2.gz XPXQOGGEOFBBPT-HUUCEWRRSA-N 1 3 324.494 2.182 20 0 DEADHO C[C@@H](CNC(=O)NC[C@@H](N)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000417023254 405007162 /nfs/dbraw/zinc/00/71/62/405007162.db2.gz VVPXCRHLYIXXDN-HLLBOEOZSA-N 1 3 318.465 2.106 20 0 DEADHO C[C@@H](CNC(=O)NC[C@@H](N)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000417023254 405007164 /nfs/dbraw/zinc/00/71/64/405007164.db2.gz VVPXCRHLYIXXDN-HLLBOEOZSA-N 1 3 318.465 2.106 20 0 DEADHO Cc1nccn1CCCCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000367310319 405007733 /nfs/dbraw/zinc/00/77/33/405007733.db2.gz PXNQOBMBUQHWTH-RCCFBDPRSA-N 1 3 320.481 2.155 20 0 DEADHO COc1ccsc1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000354041026 405016381 /nfs/dbraw/zinc/01/63/81/405016381.db2.gz QMRDJPDAHMUMTL-CABCVRRESA-N 1 3 323.506 2.215 20 0 DEADHO COc1ccsc1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000354041026 405016385 /nfs/dbraw/zinc/01/63/85/405016385.db2.gz QMRDJPDAHMUMTL-CABCVRRESA-N 1 3 323.506 2.215 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000417051186 405020383 /nfs/dbraw/zinc/02/03/83/405020383.db2.gz YYNPGQHCDZPNMT-OWCLPIDISA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000417051186 405020390 /nfs/dbraw/zinc/02/03/90/405020390.db2.gz YYNPGQHCDZPNMT-OWCLPIDISA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000379677487 405029830 /nfs/dbraw/zinc/02/98/30/405029830.db2.gz CQFNRFOPGPVVRZ-LAQRGFTBSA-N 1 3 315.461 2.154 20 0 DEADHO CC(C)(CC[NH3+])NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000424043226 404982443 /nfs/dbraw/zinc/98/24/43/404982443.db2.gz BLTNVPYGIKKAGE-INIZCTEOSA-N 1 3 303.450 2.142 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](NCCc2cc(C)no2)[C@H](C)C1 ZINC000353995944 404989482 /nfs/dbraw/zinc/98/94/82/404989482.db2.gz MJXZIEJKGIUKAE-PBHICJAKSA-N 1 3 309.454 2.252 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](NCCc2cc(C)no2)[C@H](C)C1 ZINC000353995944 404989485 /nfs/dbraw/zinc/98/94/85/404989485.db2.gz MJXZIEJKGIUKAE-PBHICJAKSA-N 1 3 309.454 2.252 20 0 DEADHO C[C@H]1CCN(C)CCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000354005402 404996637 /nfs/dbraw/zinc/99/66/37/404996637.db2.gz GGVGQNDJPMWXAP-INIZCTEOSA-N 1 3 315.461 2.449 20 0 DEADHO CN(CCC(=O)Nc1cc(F)cc(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000435621376 404997499 /nfs/dbraw/zinc/99/74/99/404997499.db2.gz KUUMKNJAINTEDK-HNNXBMFYSA-N 1 3 311.376 2.367 20 0 DEADHO C[C@@H](NC(=O)Nc1ccc2c(c1)CNC2)C(C)(C)C[NH+](C)C ZINC000415995332 405000763 /nfs/dbraw/zinc/00/07/63/405000763.db2.gz KFUCSBHQUDGHKA-GFCCVEGCSA-N 1 3 304.438 2.388 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000389909684 405040980 /nfs/dbraw/zinc/04/09/80/405040980.db2.gz IMGUGNUVXBWGHJ-HHXXYDBFSA-N 1 3 315.461 2.155 20 0 DEADHO Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000391147255 405049046 /nfs/dbraw/zinc/04/90/46/405049046.db2.gz VAXJTJSWEFAVBH-AEFFLSMTSA-N 1 3 318.461 2.117 20 0 DEADHO Cc1cccc(C)c1OC[C@@H](O)CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000391147255 405049052 /nfs/dbraw/zinc/04/90/52/405049052.db2.gz VAXJTJSWEFAVBH-AEFFLSMTSA-N 1 3 318.461 2.117 20 0 DEADHO Cc1cccc(C)c1OC[C@@H](O)CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000391147255 405049060 /nfs/dbraw/zinc/04/90/60/405049060.db2.gz VAXJTJSWEFAVBH-AEFFLSMTSA-N 1 3 318.461 2.117 20 0 DEADHO CC(C)(C)[NH+]1CCC(NC(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000417168041 405051059 /nfs/dbraw/zinc/05/10/59/405051059.db2.gz AFCUQIRFKUAEDA-INIZCTEOSA-N 1 3 318.465 2.249 20 0 DEADHO C[C@@H]1CC2(CN1CC(=O)N(C)C1CCC(C)CC1)CC[NH2+]CC2 ZINC000424288519 405057706 /nfs/dbraw/zinc/05/77/06/405057706.db2.gz KKGRBGDYPJLMSB-AQFXKWCLSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1CC2(CN1CC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)CC[NH2+]CC2 ZINC000424291220 405059948 /nfs/dbraw/zinc/05/99/48/405059948.db2.gz NFTNFJKTLJADIN-TWMKSMIVSA-N 1 3 321.509 2.391 20 0 DEADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]C[C@@H]2CCN(C)C(=O)C2)CC1 ZINC000424323119 405068921 /nfs/dbraw/zinc/06/89/21/405068921.db2.gz KNFZCFBXWBKBMY-JFIYKMOQSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@@H]2CCN(C)C(=O)C2)CC1 ZINC000424323119 405068923 /nfs/dbraw/zinc/06/89/23/405068923.db2.gz KNFZCFBXWBKBMY-JFIYKMOQSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)C[C@@H]1CCCCN1C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000404907825 405069914 /nfs/dbraw/zinc/06/99/14/405069914.db2.gz AFRSWAGUFCHOGE-DLBZAZTESA-N 1 3 303.450 2.409 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)NC[C@H](C)C[NH2+]C ZINC000418368607 405125055 /nfs/dbraw/zinc/12/50/55/405125055.db2.gz MFSKYSNHVXUSJC-MRXNPFEDSA-N 1 3 312.502 2.140 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N(CCN(C)C)CC2CCCCC2)CC[NH2+]1 ZINC000418614903 405139406 /nfs/dbraw/zinc/13/94/06/405139406.db2.gz XNKPGCKNVNMHDS-NVXWUHKLSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H]1CN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CCN(C2CCC2)C1 ZINC000418757366 405194443 /nfs/dbraw/zinc/19/44/43/405194443.db2.gz ZBUAPKOVJHYFLY-HOTGVXAUSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H](NC(=O)C12CCCN1CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000367967342 405205174 /nfs/dbraw/zinc/20/51/74/405205174.db2.gz UOHUDRADHMMMSM-CVEARBPZSA-N 1 3 319.493 2.384 20 0 DEADHO C[C@@H](NC(=O)C12CCCN1CCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000367967342 405205180 /nfs/dbraw/zinc/20/51/80/405205180.db2.gz UOHUDRADHMMMSM-CVEARBPZSA-N 1 3 319.493 2.384 20 0 DEADHO C[C@@H](CCC[NH3+])NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000418698322 405171953 /nfs/dbraw/zinc/17/19/53/405171953.db2.gz HFZNDMXDNUIXMW-PCKAHOCUSA-N 1 3 310.486 2.020 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000368181849 405230986 /nfs/dbraw/zinc/23/09/86/405230986.db2.gz WOLPYYOSUGGQTC-UHFFFAOYSA-N 1 3 315.461 2.495 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000452729166 405234489 /nfs/dbraw/zinc/23/44/89/405234489.db2.gz JUVDQLOXTMCDDS-UHFFFAOYSA-N 1 3 317.477 2.498 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000452729166 405234492 /nfs/dbraw/zinc/23/44/92/405234492.db2.gz JUVDQLOXTMCDDS-UHFFFAOYSA-N 1 3 317.477 2.498 20 0 DEADHO CC1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000438547235 405250372 /nfs/dbraw/zinc/25/03/72/405250372.db2.gz RUHQPECNNRFAKG-KRWDZBQOSA-N 1 3 307.482 2.242 20 0 DEADHO CC1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000438547235 405250374 /nfs/dbraw/zinc/25/03/74/405250374.db2.gz RUHQPECNNRFAKG-KRWDZBQOSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000439706092 405289194 /nfs/dbraw/zinc/28/91/94/405289194.db2.gz VQPRVHDAALEJKC-IXDOHACOSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000439706092 405289196 /nfs/dbraw/zinc/28/91/96/405289196.db2.gz VQPRVHDAALEJKC-IXDOHACOSA-N 1 3 309.498 2.486 20 0 DEADHO CN(CC[C@H]1CCC[NH2+]C1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000420298472 405310711 /nfs/dbraw/zinc/31/07/11/405310711.db2.gz HELYEPKOYZWWOW-PBHICJAKSA-N 1 3 319.424 2.253 20 0 DEADHO CCOc1ccccc1NC(=O)CCN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000420308718 405313878 /nfs/dbraw/zinc/31/38/78/405313878.db2.gz NYRLHUKOKJHYDV-KKUMJFAQSA-N 1 3 317.433 2.083 20 0 DEADHO C[C@@H]1SCCN(CCN2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000420308104 405314104 /nfs/dbraw/zinc/31/41/04/405314104.db2.gz SAAIHGMSVZKCGC-DOTOQJQBSA-N 1 3 305.491 2.070 20 0 DEADHO CC(C)N(CC[C@H]1CC[NH2+]C1)CC(=O)Nc1ccc(F)cc1 ZINC000420316107 405317224 /nfs/dbraw/zinc/31/72/24/405317224.db2.gz MLIDBCAIEQHZKM-CQSZACIVSA-N 1 3 307.413 2.474 20 0 DEADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NCCC1CCCCC1 ZINC000420325532 405320154 /nfs/dbraw/zinc/32/01/54/405320154.db2.gz ISKAJNGXQDJAFL-ROUUACIJSA-N 1 3 321.509 2.395 20 0 DEADHO C[C@H](NC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420330977 405322120 /nfs/dbraw/zinc/32/21/20/405322120.db2.gz BGFKSFAYXIGXNL-CGTJXYLNSA-N 1 3 315.461 2.185 20 0 DEADHO C[C@H](NC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1cccs1 ZINC000420341458 405325943 /nfs/dbraw/zinc/32/59/43/405325943.db2.gz OPVLDIXYOLVYCI-KKUMJFAQSA-N 1 3 321.490 2.247 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)[N@@H+]1CCCC[C@H]1C ZINC000440903784 405330186 /nfs/dbraw/zinc/33/01/86/405330186.db2.gz ATTLSHCELJSQME-QXSJWSMHSA-N 1 3 322.497 2.174 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)[N@H+]1CCCC[C@H]1C ZINC000440903784 405330187 /nfs/dbraw/zinc/33/01/87/405330187.db2.gz ATTLSHCELJSQME-QXSJWSMHSA-N 1 3 322.497 2.174 20 0 DEADHO C[C@@H](c1ccc(F)cc1)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420386568 405340578 /nfs/dbraw/zinc/34/05/78/405340578.db2.gz VAOBUIRRYYAEHN-LRDDRELGSA-N 1 3 303.385 2.274 20 0 DEADHO C[C@H](CNC(=O)NC1CCC([NH+](C)C)CC1)N1CCC(C)CC1 ZINC000420816350 405389507 /nfs/dbraw/zinc/38/95/07/405389507.db2.gz YOCFFENOWGUKLX-KLAILNCOSA-N 1 3 324.513 2.279 20 0 DEADHO CN(C)CCOc1cccc(NC(=O)C[C@@H]2CCC[NH2+]CC2)c1 ZINC000427266096 405397862 /nfs/dbraw/zinc/39/78/62/405397862.db2.gz GXSCNOQOTCNIPI-OAHLLOKOSA-N 1 3 319.449 2.345 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000455471570 405414651 /nfs/dbraw/zinc/41/46/51/405414651.db2.gz JAHLIIYWELHPSR-UYTSQGDYSA-N 1 3 322.497 2.031 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000455471570 405414653 /nfs/dbraw/zinc/41/46/53/405414653.db2.gz JAHLIIYWELHPSR-UYTSQGDYSA-N 1 3 322.497 2.031 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000447966308 405420029 /nfs/dbraw/zinc/42/00/29/405420029.db2.gz KGNDBWPLNPGFFZ-JYJNAYRXSA-N 1 3 322.497 2.033 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000447966308 405420031 /nfs/dbraw/zinc/42/00/31/405420031.db2.gz KGNDBWPLNPGFFZ-JYJNAYRXSA-N 1 3 322.497 2.033 20 0 DEADHO CN1CCC[C@H]1C[N@H+](C)Cc1cccc(CN2CCOCC2)c1 ZINC000420996412 405424043 /nfs/dbraw/zinc/42/40/43/405424043.db2.gz JLMFPABMZSQWDF-IBGZPJMESA-N 1 3 317.477 2.045 20 0 DEADHO CN1CCC[C@H]1C[N@@H+](C)Cc1cccc(CN2CCOCC2)c1 ZINC000420996412 405424044 /nfs/dbraw/zinc/42/40/44/405424044.db2.gz JLMFPABMZSQWDF-IBGZPJMESA-N 1 3 317.477 2.045 20 0 DEADHO CC[NH2+]CC1CCN([C@H](C)C(=O)NCc2ccc(F)cc2)CC1 ZINC000430556547 405456572 /nfs/dbraw/zinc/45/65/72/405456572.db2.gz UTCIGPWXJDPCRT-CQSZACIVSA-N 1 3 321.440 2.152 20 0 DEADHO CN(CCC(=O)NCc1ccccc1Cl)CC(C)(C)C[NH3+] ZINC000430555889 405456758 /nfs/dbraw/zinc/45/67/58/405456758.db2.gz JKZRLUKSXJXVRO-UHFFFAOYSA-N 1 3 311.857 2.263 20 0 DEADHO C[N@H+](CCC(=O)NCc1ccccc1Cl)CC(C)(C)CN ZINC000430555889 405456761 /nfs/dbraw/zinc/45/67/61/405456761.db2.gz JKZRLUKSXJXVRO-UHFFFAOYSA-N 1 3 311.857 2.263 20 0 DEADHO C[N@@H+](CCC(=O)NCc1ccccc1Cl)CC(C)(C)CN ZINC000430555889 405456763 /nfs/dbraw/zinc/45/67/63/405456763.db2.gz JKZRLUKSXJXVRO-UHFFFAOYSA-N 1 3 311.857 2.263 20 0 DEADHO CC(C)[C@@H](N)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000430718080 405497162 /nfs/dbraw/zinc/49/71/62/405497162.db2.gz GEIRSVZGNDVFRS-WMLDXEAASA-N 1 3 303.450 2.312 20 0 DEADHO C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC(C[NH3+])CC1 ZINC000430592626 405463101 /nfs/dbraw/zinc/46/31/01/405463101.db2.gz NMWAPYICDBLJOY-CYBMUJFWSA-N 1 3 307.413 2.016 20 0 DEADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000421319598 405463627 /nfs/dbraw/zinc/46/36/27/405463627.db2.gz AJYFFCZDFSMXHO-GOSISDBHSA-N 1 3 315.461 2.241 20 0 DEADHO COCC[NH+]1CCC(NCc2cc3ccccc3n2C)CC1 ZINC000638443782 405472158 /nfs/dbraw/zinc/47/21/58/405472158.db2.gz STKMXHGBERGPCY-UHFFFAOYSA-N 1 3 301.434 2.379 20 0 DEADHO CN(C)C(=O)CCN[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638452745 405478642 /nfs/dbraw/zinc/47/86/42/405478642.db2.gz CDTZWKXBLVSERJ-FUHWJXTLSA-N 1 3 315.461 2.422 20 0 DEADHO CN(C)C(=O)CCN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638452745 405478649 /nfs/dbraw/zinc/47/86/49/405478649.db2.gz CDTZWKXBLVSERJ-FUHWJXTLSA-N 1 3 315.461 2.422 20 0 DEADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1c2ccccc2C(=O)N1C ZINC000528007370 405478905 /nfs/dbraw/zinc/47/89/05/405478905.db2.gz URZLMSVOXRVCAQ-OMNBBPDLSA-N 1 3 301.434 2.132 20 0 DEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458741910 405567006 /nfs/dbraw/zinc/56/70/06/405567006.db2.gz NEJOOWKNXQXEDN-HZPDHXFCSA-N 1 3 324.513 2.138 20 0 DEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458741910 405567011 /nfs/dbraw/zinc/56/70/11/405567011.db2.gz NEJOOWKNXQXEDN-HZPDHXFCSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCCC[C@H]1C ZINC000430739843 405501838 /nfs/dbraw/zinc/50/18/38/405501838.db2.gz AMSYWSUWUAYZCZ-NRKLIOEPSA-N 1 3 307.482 2.286 20 0 DEADHO CN(C)C/C=C\C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000492739507 405513176 /nfs/dbraw/zinc/51/31/76/405513176.db2.gz QQVKLVPUWHFTJE-VOCYLRNQSA-N 1 3 315.461 2.131 20 0 DEADHO CN(C)C/C=C\C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000492739507 405513178 /nfs/dbraw/zinc/51/31/78/405513178.db2.gz QQVKLVPUWHFTJE-VOCYLRNQSA-N 1 3 315.461 2.131 20 0 DEADHO CCC[N@@H+]1CC[C@@H](CNC[C@H](O)COCc2ccccc2F)C1 ZINC000577841570 405524288 /nfs/dbraw/zinc/52/42/88/405524288.db2.gz WWBDNETXECZETD-RDJZCZTQSA-N 1 3 324.440 2.025 20 0 DEADHO CCC[N@H+]1CC[C@@H](CNC[C@H](O)COCc2ccccc2F)C1 ZINC000577841570 405524297 /nfs/dbraw/zinc/52/42/97/405524297.db2.gz WWBDNETXECZETD-RDJZCZTQSA-N 1 3 324.440 2.025 20 0 DEADHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)COCc2ccccc2F)C1 ZINC000577841570 405524301 /nfs/dbraw/zinc/52/43/01/405524301.db2.gz WWBDNETXECZETD-RDJZCZTQSA-N 1 3 324.440 2.025 20 0 DEADHO CCC[N@@H+]1CC[C@@H](CNC[C@@H](O)COCc2ccccc2F)C1 ZINC000577841568 405524518 /nfs/dbraw/zinc/52/45/18/405524518.db2.gz WWBDNETXECZETD-DOTOQJQBSA-N 1 3 324.440 2.025 20 0 DEADHO CCC[N@H+]1CC[C@@H](CNC[C@@H](O)COCc2ccccc2F)C1 ZINC000577841568 405524524 /nfs/dbraw/zinc/52/45/24/405524524.db2.gz WWBDNETXECZETD-DOTOQJQBSA-N 1 3 324.440 2.025 20 0 DEADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](O)COCc2ccccc2F)C1 ZINC000577841568 405524531 /nfs/dbraw/zinc/52/45/31/405524531.db2.gz WWBDNETXECZETD-DOTOQJQBSA-N 1 3 324.440 2.025 20 0 DEADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)COc2cccc(CC)c2)C1 ZINC000577947836 405541549 /nfs/dbraw/zinc/54/15/49/405541549.db2.gz DIXPPQUSSUIXAK-QZTJIDSGSA-N 1 3 320.477 2.310 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000458816845 405607229 /nfs/dbraw/zinc/60/72/29/405607229.db2.gz SFXNPDMOEVYWSL-HZPDHXFCSA-N 1 3 312.502 2.231 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000458816845 405607238 /nfs/dbraw/zinc/60/72/38/405607238.db2.gz SFXNPDMOEVYWSL-HZPDHXFCSA-N 1 3 312.502 2.231 20 0 DEADHO CCCN1CCC([NH2+][C@@H](C)C(=O)NCCc2ccccc2)CC1 ZINC000449577625 405622974 /nfs/dbraw/zinc/62/29/74/405622974.db2.gz GLCAVMWACNKWQU-INIZCTEOSA-N 1 3 317.477 2.198 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000431062046 405569809 /nfs/dbraw/zinc/56/98/09/405569809.db2.gz NGMYVSGZTXHEMQ-XIRDDKMYSA-N 1 3 301.434 2.080 20 0 DEADHO CCCN(CCC(=O)Nc1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC000431076719 405574071 /nfs/dbraw/zinc/57/40/71/405574071.db2.gz LTDYTVQCSUHKMQ-UHFFFAOYSA-N 1 3 319.449 2.488 20 0 DEADHO Cc1cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1-n1cncn1 ZINC000558423724 405658450 /nfs/dbraw/zinc/65/84/50/405658450.db2.gz OVCYRVNZBJCMBB-NVXWUHKLSA-N 1 3 313.449 2.348 20 0 DEADHO Cc1cc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)ccc1-n1cncn1 ZINC000558423724 405658455 /nfs/dbraw/zinc/65/84/55/405658455.db2.gz OVCYRVNZBJCMBB-NVXWUHKLSA-N 1 3 313.449 2.348 20 0 DEADHO CN(C)C(=O)[C@@H]1CCC[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000422745150 405679350 /nfs/dbraw/zinc/67/93/50/405679350.db2.gz UPGSUFWFGUNMMQ-OSRSDYAFSA-N 1 3 301.434 2.368 20 0 DEADHO C[C@H](C[C@@H]1COCCN1)[NH2+][C@H](CN1CCCC1)c1ccccc1 ZINC000422802592 405684813 /nfs/dbraw/zinc/68/48/13/405684813.db2.gz HOHHWJITNZRHDH-BHIYHBOVSA-N 1 3 317.477 2.180 20 0 DEADHO C[C@@H](C[C@@H]1COCCN1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000422816551 405684901 /nfs/dbraw/zinc/68/49/01/405684901.db2.gz ARWRHWVIHFEVJP-DOTOQJQBSA-N 1 3 309.498 2.140 20 0 DEADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H](c2ccccc2)N(C)C)C1 ZINC000431856922 405686320 /nfs/dbraw/zinc/68/63/20/405686320.db2.gz WVOMVIHVDUHAJO-AEFFLSMTSA-N 1 3 317.477 2.480 20 0 DEADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@@H](c2ccccc2)N(C)C)C1 ZINC000431856922 405686326 /nfs/dbraw/zinc/68/63/26/405686326.db2.gz WVOMVIHVDUHAJO-AEFFLSMTSA-N 1 3 317.477 2.480 20 0 DEADHO O=C(CC[NH2+]C1CC1)NCc1ccccc1CN1CCCCC1 ZINC000582191301 405690675 /nfs/dbraw/zinc/69/06/75/405690675.db2.gz SULHTOSEGBNJMF-UHFFFAOYSA-N 1 3 315.461 2.431 20 0 DEADHO C[C@H]([NH3+])CC(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000638830321 405698918 /nfs/dbraw/zinc/69/89/18/405698918.db2.gz OCVFERNHYSBVSV-GXFFZTMASA-N 1 3 317.355 2.162 20 0 DEADHO C[C@@H](NCCCOc1ccc(C(F)(F)F)cn1)C1C[NH2+]C1 ZINC000423067890 405700167 /nfs/dbraw/zinc/70/01/67/405700167.db2.gz ANDYTIOQGRDEPI-SNVBAGLBSA-N 1 3 303.328 2.067 20 0 DEADHO C[C@@H]([NH2+]CCCOc1ccc(C(F)(F)F)cn1)C1CNC1 ZINC000423067890 405700172 /nfs/dbraw/zinc/70/01/72/405700172.db2.gz ANDYTIOQGRDEPI-SNVBAGLBSA-N 1 3 303.328 2.067 20 0 DEADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCC1=CCCOC1 ZINC000423119317 405701997 /nfs/dbraw/zinc/70/19/97/405701997.db2.gz DNQDIIMEFTXEBN-SJLPKXTDSA-N 1 3 300.402 2.179 20 0 DEADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000423063134 405697877 /nfs/dbraw/zinc/69/78/77/405697877.db2.gz VOORSWBUUKEPPM-LONRUODHSA-N 1 3 314.429 2.399 20 0 DEADHO C[C@@H](NCCCN1CC[NH2+]CC1)c1ccccc1OC(F)F ZINC000423174588 405711494 /nfs/dbraw/zinc/71/14/94/405711494.db2.gz BEZFOTGCOBTTCR-CYBMUJFWSA-N 1 3 313.392 2.234 20 0 DEADHO C[C@H]([NH2+]C1CCNCC1)c1ccc(OCc2nccn2C)cc1 ZINC000423176694 405712051 /nfs/dbraw/zinc/71/20/51/405712051.db2.gz CPFMCQDNEUUINN-AWEZNQCLSA-N 1 3 314.433 2.402 20 0 DEADHO C[C@H](C(=O)NCc1cccc2c1CC[NH2+]C2)[C@H](N)c1ccccc1 ZINC000638841610 405708254 /nfs/dbraw/zinc/70/82/54/405708254.db2.gz VRNBYYOOQZYYDA-LIRRHRJNSA-N 1 3 323.440 2.285 20 0 DEADHO CC(C)(C)[NH+]1CCC(Nc2ccc(N3CCNCC3)cn2)CC1 ZINC000423240209 405734035 /nfs/dbraw/zinc/73/40/35/405734035.db2.gz XCDNDYNLNWKSDO-UHFFFAOYSA-N 1 3 317.481 2.166 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H](N)C2CCC2)C1 ZINC000423365308 405778256 /nfs/dbraw/zinc/77/82/56/405778256.db2.gz WOCZAKATTHNNGL-VYDXJSESSA-N 1 3 307.482 2.227 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H](N)C2CCC2)C1 ZINC000423365308 405778263 /nfs/dbraw/zinc/77/82/63/405778263.db2.gz WOCZAKATTHNNGL-VYDXJSESSA-N 1 3 307.482 2.227 20 0 DEADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](N)C2CCC2)CC1 ZINC000423369893 405780790 /nfs/dbraw/zinc/78/07/90/405780790.db2.gz CLHIEOJXPJGIGQ-KBXCAEBGSA-N 1 3 315.461 2.456 20 0 DEADHO CCN1C[C@H](C)[C@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000423379855 405783081 /nfs/dbraw/zinc/78/30/81/405783081.db2.gz XYHYTTWCDVUDMF-WPPQDWHVSA-N 1 3 323.431 2.340 20 0 DEADHO CC1(C)[C@H]([NH2+]C[C@@H]2CNCCCO2)C[C@@H]1OCc1ccccc1 ZINC000423486193 405823167 /nfs/dbraw/zinc/82/31/67/405823167.db2.gz BQFWSJCDTLCGTJ-KSZLIROESA-N 1 3 318.461 2.338 20 0 DEADHO Cc1c([C@H](C)N[C@@H]2CC[C@H](C[NH3+])C2)nnn1-c1ccc(F)cc1 ZINC000423490241 405824679 /nfs/dbraw/zinc/82/46/79/405824679.db2.gz HOFNLHPNORHYBU-CORIIIEPSA-N 1 3 317.412 2.493 20 0 DEADHO CN[C@@H](CC(C)(C)C)C(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000639024048 405825441 /nfs/dbraw/zinc/82/54/41/405825441.db2.gz NLTZMGBPMKEYFB-ZFWWWQNUSA-N 1 3 303.450 2.175 20 0 DEADHO C[C@@H]1CCN[C@H](C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000423332139 405763840 /nfs/dbraw/zinc/76/38/40/405763840.db2.gz PABDLMIRKLBVJT-NCOADZHNSA-N 1 3 309.498 2.249 20 0 DEADHO C[C@@H]1CCN[C@H](C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000423332139 405763845 /nfs/dbraw/zinc/76/38/45/405763845.db2.gz PABDLMIRKLBVJT-NCOADZHNSA-N 1 3 309.498 2.249 20 0 DEADHO C[C@@H]1CCN[C@@H](C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000423332143 405766219 /nfs/dbraw/zinc/76/62/19/405766219.db2.gz PABDLMIRKLBVJT-WCXIOVBPSA-N 1 3 309.498 2.249 20 0 DEADHO C[C@@H]1CCN[C@@H](C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000423332143 405766224 /nfs/dbraw/zinc/76/62/24/405766224.db2.gz PABDLMIRKLBVJT-WCXIOVBPSA-N 1 3 309.498 2.249 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H]2NCCCC2(C)C)C1 ZINC000423345832 405769692 /nfs/dbraw/zinc/76/96/92/405769692.db2.gz ZFEPYLZYPWRXFF-XHSDSOJGSA-N 1 3 309.498 2.249 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H]2NCCCC2(C)C)C1 ZINC000423345832 405769696 /nfs/dbraw/zinc/76/96/96/405769696.db2.gz ZFEPYLZYPWRXFF-XHSDSOJGSA-N 1 3 309.498 2.249 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)[C@H](C[NH3+])C(C)C)N(C)C)cc1 ZINC000433133161 405874991 /nfs/dbraw/zinc/87/49/91/405874991.db2.gz DFNIYKHFINSGBD-IAGOWNOFSA-N 1 3 305.466 2.199 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C[C@H]2CCNC(=O)CC2)C1 ZINC000450408597 405881482 /nfs/dbraw/zinc/88/14/82/405881482.db2.gz WAWARMPVRGMOIP-KURKYZTESA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C[C@H]2CCNC(=O)CC2)C1 ZINC000450408597 405881486 /nfs/dbraw/zinc/88/14/86/405881486.db2.gz WAWARMPVRGMOIP-KURKYZTESA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CCCCN1C[C@H]1CCC[N@H+](C[C@H]2CCNC(=O)CC2)C1 ZINC000450408597 405881490 /nfs/dbraw/zinc/88/14/90/405881490.db2.gz WAWARMPVRGMOIP-KURKYZTESA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CCCCN1C[C@H]1CCC[N@@H+](C[C@H]2CCNC(=O)CC2)C1 ZINC000450408597 405881495 /nfs/dbraw/zinc/88/14/95/405881495.db2.gz WAWARMPVRGMOIP-KURKYZTESA-N 1 3 321.509 2.489 20 0 DEADHO CC1([NH+]2CCCC2)CCN(C(=O)[C@H]2CCN2C2CCCC2)CC1 ZINC000636311832 405883251 /nfs/dbraw/zinc/88/32/51/405883251.db2.gz YYWALDOMLGDCBQ-QGZVFWFLSA-N 1 3 319.493 2.480 20 0 DEADHO CC(C)N1CC[C@H](N(C)C(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000457531214 405884948 /nfs/dbraw/zinc/88/49/48/405884948.db2.gz IJHGRADZPJAAKI-KRWDZBQOSA-N 1 3 324.513 2.233 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000633800605 405847554 /nfs/dbraw/zinc/84/75/54/405847554.db2.gz UTLJGHILVXVVPC-AEFFLSMTSA-N 1 3 317.477 2.213 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000633800605 405847557 /nfs/dbraw/zinc/84/75/57/405847557.db2.gz UTLJGHILVXVVPC-AEFFLSMTSA-N 1 3 317.477 2.213 20 0 DEADHO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCN(C2CCCCC2)CC1 ZINC000423716904 405926225 /nfs/dbraw/zinc/92/62/25/405926225.db2.gz YOUBWNREKWTJSZ-NVXWUHKLSA-N 1 3 307.482 2.371 20 0 DEADHO CN(C(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CCCN(C)C1 ZINC000433360663 405934144 /nfs/dbraw/zinc/93/41/44/405934144.db2.gz FHLXRTVAUHSVDI-IRXDYDNUSA-N 1 3 303.450 2.232 20 0 DEADHO CN(C)CCN(Cc1ccccc1)C(=O)CCCC[NH+](C)C ZINC000561566542 405939305 /nfs/dbraw/zinc/93/93/05/405939305.db2.gz IERHKLUEVPFTEX-UHFFFAOYSA-N 1 3 305.466 2.309 20 0 DEADHO CN(C)CCN(CCCc1ccccc1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000423740585 405940205 /nfs/dbraw/zinc/94/02/05/405940205.db2.gz GTGNDPQNGOJKEA-QZTJIDSGSA-N 1 3 317.477 2.137 20 0 DEADHO CO[C@H](CC(C)C)C[NH+]1CCC(CN2CCN(C)CC2)CC1 ZINC000639171126 405944011 /nfs/dbraw/zinc/94/40/11/405944011.db2.gz RFEOQPLERBAUSH-GOSISDBHSA-N 1 3 311.514 2.007 20 0 DEADHO CCOC(=O)N1CCC([NH2+][C@@H](C)c2ccc(CN)nc2C)CC1 ZINC000496349333 405965407 /nfs/dbraw/zinc/96/54/07/405965407.db2.gz UJXDXAFWUJRDAP-LBPRGKRZSA-N 1 3 320.437 2.120 20 0 DEADHO C[NH+](C)[C@H](CC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000433298746 405914014 /nfs/dbraw/zinc/91/40/14/405914014.db2.gz ADLUJAGQAUWOLT-NVXWUHKLSA-N 1 3 301.434 2.032 20 0 DEADHO CN1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000531151932 405915865 /nfs/dbraw/zinc/91/58/65/405915865.db2.gz XNKWCJDHHFQHCE-CVEARBPZSA-N 1 3 307.482 2.099 20 0 DEADHO CN1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000531151932 405915868 /nfs/dbraw/zinc/91/58/68/405915868.db2.gz XNKWCJDHHFQHCE-CVEARBPZSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(Cc2c[nH]c3nccnc23)CC1 ZINC000565687095 406080002 /nfs/dbraw/zinc/08/00/02/406080002.db2.gz CWDXZSOKJXIDBV-UHFFFAOYSA-N 1 3 301.438 2.462 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(Cc2c[nH]c3nccnc23)CC1 ZINC000565687095 406080007 /nfs/dbraw/zinc/08/00/07/406080007.db2.gz CWDXZSOKJXIDBV-UHFFFAOYSA-N 1 3 301.438 2.462 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)NCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000532530336 406083686 /nfs/dbraw/zinc/08/36/86/406083686.db2.gz ZTFANNKDBSZUBE-GJZGRUSLSA-N 1 3 319.449 2.344 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)NCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000532530336 406083689 /nfs/dbraw/zinc/08/36/89/406083689.db2.gz ZTFANNKDBSZUBE-GJZGRUSLSA-N 1 3 319.449 2.344 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000516554971 406098467 /nfs/dbraw/zinc/09/84/67/406098467.db2.gz GYUMDMSYLTTXNE-CABCVRRESA-N 1 3 310.486 2.020 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccsc1 ZINC000518891732 406164077 /nfs/dbraw/zinc/16/40/77/406164077.db2.gz BWTAMGAKBZBDOZ-ZFWWWQNUSA-N 1 3 309.479 2.199 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccsc1 ZINC000518891732 406164081 /nfs/dbraw/zinc/16/40/81/406164081.db2.gz BWTAMGAKBZBDOZ-ZFWWWQNUSA-N 1 3 309.479 2.199 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]CCCc2cncn2C)[C@@H](C)C1 ZINC000518214147 406131900 /nfs/dbraw/zinc/13/19/00/406131900.db2.gz ZCQDMXCQMVAMEV-FUHWJXTLSA-N 1 3 322.497 2.079 20 0 DEADHO C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CCC(CC[NH3+])CC1 ZINC000568056849 406185548 /nfs/dbraw/zinc/18/55/48/406185548.db2.gz BWZKXMCUFHMRMU-CYBMUJFWSA-N 1 3 323.868 2.406 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccccc1CN1CCOCC1 ZINC000568074789 406189435 /nfs/dbraw/zinc/18/94/35/406189435.db2.gz SXHQACAIKNCYBI-QFBILLFUSA-N 1 3 317.477 2.126 20 0 DEADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C/C=C\c2ccncc2)CC1 ZINC000487264531 406219881 /nfs/dbraw/zinc/21/98/81/406219881.db2.gz GBLPFZHALDXYEC-RAEMOODJSA-N 1 3 315.461 2.452 20 0 DEADHO CC(C)N(C(=O)[C@@H](C)N1CCC2(C1)CC[NH+](C)CC2)C(C)C ZINC000639760060 406239969 /nfs/dbraw/zinc/23/99/69/406239969.db2.gz QLZSQLYGWWQXFI-MRXNPFEDSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)N1CCCCC1 ZINC000634762239 406271145 /nfs/dbraw/zinc/27/11/45/406271145.db2.gz SCTWGGFTFVMHMD-JKSUJKDBSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000488354253 406314005 /nfs/dbraw/zinc/31/40/05/406314005.db2.gz KXXJFUCGXYQTGX-WQVCFCJDSA-N 1 3 323.868 2.257 20 0 DEADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000488354253 406314007 /nfs/dbraw/zinc/31/40/07/406314007.db2.gz KXXJFUCGXYQTGX-WQVCFCJDSA-N 1 3 323.868 2.257 20 0 DEADHO CC[NH+](CC)C[C@H](C)NC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000488562834 406330106 /nfs/dbraw/zinc/33/01/06/406330106.db2.gz SOXJFZHXPPVWPX-LUKYLMHMSA-N 1 3 324.513 2.088 20 0 DEADHO [NH3+]C[C@H]1Cc2ccccc2N(C(=O)c2ccc3c(c2)CNC3)C1 ZINC000632869042 406300153 /nfs/dbraw/zinc/30/01/53/406300153.db2.gz MJJJFLLGPIPVPH-CYBMUJFWSA-N 1 3 307.397 2.068 20 0 DEADHO C[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(S(C)(=O)=O)cc1 ZINC000635014190 406401056 /nfs/dbraw/zinc/40/10/56/406401056.db2.gz YWIOHPVVEXLOBO-YUELXQCFSA-N 1 3 310.463 2.053 20 0 DEADHO C[C@H](C[NH2+][C@H]1CCC[C@@H](N)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000635014190 406401062 /nfs/dbraw/zinc/40/10/62/406401062.db2.gz YWIOHPVVEXLOBO-YUELXQCFSA-N 1 3 310.463 2.053 20 0 DEADHO C[C@@H](NC(=O)NCC[NH2+]C1CCCCCC1)C1=CCN(C)CC1 ZINC000521841754 406369375 /nfs/dbraw/zinc/36/93/75/406369375.db2.gz KNINPAFRJFIYLI-OAHLLOKOSA-N 1 3 322.497 2.248 20 0 DEADHO C[C@H]1C[C@H](N(C)C(=O)[C@H]2C[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000521880730 406372396 /nfs/dbraw/zinc/37/23/96/406372396.db2.gz BWQIOTKRPSPAJF-DZJNRPSUSA-N 1 3 315.461 2.235 20 0 DEADHO CCN1CCC(NC(=O)N2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000633074273 406372856 /nfs/dbraw/zinc/37/28/56/406372856.db2.gz OEDXZHWPPAPMFX-UHFFFAOYSA-N 1 3 322.497 2.131 20 0 DEADHO C[C@H](CN(C)CC(=O)NC1CC[NH+](C2CC2)CC1)C(C)(C)C ZINC000640350547 406472838 /nfs/dbraw/zinc/47/28/38/406472838.db2.gz PXSYIXDLLWVQOL-CQSZACIVSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)CN1Cc1ccccc1 ZINC000571191653 406489686 /nfs/dbraw/zinc/48/96/86/406489686.db2.gz SSXAGGUFRHHESV-WMZOPIPTSA-N 1 3 317.477 2.498 20 0 DEADHO CC(C)N1CC[C@@H](C[NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000570857127 406448042 /nfs/dbraw/zinc/44/80/42/406448042.db2.gz NFMRIJVGNSNMGV-KRWDZBQOSA-N 1 3 316.493 2.366 20 0 DEADHO CN(CCCC[NH+]1CCCCC1)Cc1ccc(C(N)=O)cc1 ZINC000640530916 406534641 /nfs/dbraw/zinc/53/46/41/406534641.db2.gz IIQFFGUFTOIXOZ-UHFFFAOYSA-N 1 3 303.450 2.483 20 0 DEADHO C[C@@H](CNCCC(=O)Nc1cccnc1)C[NH+]1CCCCC1 ZINC000571551689 406535922 /nfs/dbraw/zinc/53/59/22/406535922.db2.gz TXZWAVNTOCPBLR-HNNXBMFYSA-N 1 3 304.438 2.122 20 0 DEADHO C[C@@H](C[NH2+]CCC(=O)Nc1cccnc1)CN1CCCCC1 ZINC000571551689 406535925 /nfs/dbraw/zinc/53/59/25/406535925.db2.gz TXZWAVNTOCPBLR-HNNXBMFYSA-N 1 3 304.438 2.122 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000571431279 406520785 /nfs/dbraw/zinc/52/07/85/406520785.db2.gz OUGKZHCPJRNFQW-BHYGNILZSA-N 1 3 316.449 2.400 20 0 DEADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000571431279 406520787 /nfs/dbraw/zinc/52/07/87/406520787.db2.gz OUGKZHCPJRNFQW-BHYGNILZSA-N 1 3 316.449 2.400 20 0 DEADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000635568831 406595469 /nfs/dbraw/zinc/59/54/69/406595469.db2.gz NOROKOAUYZVUHI-ZWKOTPCHSA-N 1 3 315.461 2.109 20 0 DEADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000635568831 406595472 /nfs/dbraw/zinc/59/54/72/406595472.db2.gz NOROKOAUYZVUHI-ZWKOTPCHSA-N 1 3 315.461 2.109 20 0 DEADHO O=C([C@H]1CCN1C1CCCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000635588761 406605612 /nfs/dbraw/zinc/60/56/12/406605612.db2.gz IQGZEKUTNMJWAY-SJLPKXTDSA-N 1 3 319.493 2.480 20 0 DEADHO CCCC[N@H+](C)CC1CCN(CCNC(=O)NC(C)C)CC1 ZINC000572116995 406608788 /nfs/dbraw/zinc/60/87/88/406608788.db2.gz NTGNHSKBPJGETA-UHFFFAOYSA-N 1 3 312.502 2.138 20 0 DEADHO CCCC[N@@H+](C)CC1CCN(CCNC(=O)NC(C)C)CC1 ZINC000572116995 406608793 /nfs/dbraw/zinc/60/87/93/406608793.db2.gz NTGNHSKBPJGETA-UHFFFAOYSA-N 1 3 312.502 2.138 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC000635621564 406630969 /nfs/dbraw/zinc/63/09/69/406630969.db2.gz BFRDXVIHGYMKIZ-RDJZCZTQSA-N 1 3 307.482 2.194 20 0 DEADHO CCN[C@@H](C)C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000638119746 406580222 /nfs/dbraw/zinc/58/02/22/406580222.db2.gz VPCTVXZVLIFZDK-HNNXBMFYSA-N 1 3 319.449 2.406 20 0 DEADHO CC[NH2+][C@H](C)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000638123853 406581727 /nfs/dbraw/zinc/58/17/27/406581727.db2.gz RJYUPBVLWXOPJO-IPYPFGDCSA-N 1 3 309.479 2.245 20 0 DEADHO CN(C)C/C=C\C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000491648166 406650372 /nfs/dbraw/zinc/65/03/72/406650372.db2.gz YVHKNTKIMGDZAJ-YFHOEESVSA-N 1 3 301.434 2.016 20 0 DEADHO CN(CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)CC(C)(C)C ZINC000635719342 406703661 /nfs/dbraw/zinc/70/36/61/406703661.db2.gz KIEGYTSIOVJFSO-DOTOQJQBSA-N 1 3 321.509 2.440 20 0 DEADHO CN(CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)CC(C)(C)C ZINC000635719342 406703666 /nfs/dbraw/zinc/70/36/66/406703666.db2.gz KIEGYTSIOVJFSO-DOTOQJQBSA-N 1 3 321.509 2.440 20 0 DEADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000527745760 406736186 /nfs/dbraw/zinc/73/61/86/406736186.db2.gz OAUPPVCXKXCXHX-SJORKVTESA-N 1 3 322.497 2.177 20 0 DEADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000527745760 406736188 /nfs/dbraw/zinc/73/61/88/406736188.db2.gz OAUPPVCXKXCXHX-SJORKVTESA-N 1 3 322.497 2.177 20 0 DEADHO C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000527799673 406754329 /nfs/dbraw/zinc/75/43/29/406754329.db2.gz LCBYSUNUAVWGDL-WBVHZDCISA-N 1 3 322.497 2.034 20 0 DEADHO C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000527799673 406754334 /nfs/dbraw/zinc/75/43/34/406754334.db2.gz LCBYSUNUAVWGDL-WBVHZDCISA-N 1 3 322.497 2.034 20 0 DEADHO C[NH+](C)C/C=C/C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000491893491 406767648 /nfs/dbraw/zinc/76/76/48/406767648.db2.gz PBEYDUCORZZYBR-GPAKFWEMSA-N 1 3 307.463 2.119 20 0 DEADHO CN1CCC[C@H](CNC(=O)[C@@H]2[NH2+]CC2(C)C)[C@@H]1c1cccs1 ZINC000646071479 406768087 /nfs/dbraw/zinc/76/80/87/406768087.db2.gz PLTBRBDAMOYTKP-YUELXQCFSA-N 1 3 321.490 2.245 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC[C@H](C[NH3+])C2)cc1 ZINC000572705743 406723935 /nfs/dbraw/zinc/72/39/35/406723935.db2.gz GGAFCVUXSODQQW-RHSMWYFYSA-N 1 3 318.465 2.190 20 0 DEADHO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000638369831 406730370 /nfs/dbraw/zinc/73/03/70/406730370.db2.gz GIBMOOYPEUTVTJ-TWMKSMIVSA-N 1 3 309.498 2.391 20 0 DEADHO CO[C@@H](CNCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000638371225 406730771 /nfs/dbraw/zinc/73/07/71/406730771.db2.gz JVXNYBPQEOSENW-JZXOWHBKSA-N 1 3 312.498 2.386 20 0 DEADHO CO[C@@H](CNCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000638371225 406730774 /nfs/dbraw/zinc/73/07/74/406730774.db2.gz JVXNYBPQEOSENW-JZXOWHBKSA-N 1 3 312.498 2.386 20 0 DEADHO CO[C@@H](C[NH2+]CCCN1C[C@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000638371225 406730778 /nfs/dbraw/zinc/73/07/78/406730778.db2.gz JVXNYBPQEOSENW-JZXOWHBKSA-N 1 3 312.498 2.386 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)[C@@H](C)[NH3+] ZINC000646105925 406783416 /nfs/dbraw/zinc/78/34/16/406783416.db2.gz MDBSMRGAKOZYEO-NXHRZFHOSA-N 1 3 317.477 2.339 20 0 DEADHO C[C@H]1CCN(C(=O)/C=C\C[NH+](C)C)CCN1Cc1ccccc1 ZINC000491912474 406775018 /nfs/dbraw/zinc/77/50/18/406775018.db2.gz VIJAJVNRHPGZBD-JEZWAEDTSA-N 1 3 315.461 2.227 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000646212933 406817990 /nfs/dbraw/zinc/81/79/90/406817990.db2.gz WODKAIFWNARZEF-KBPBESRZSA-N 1 3 324.444 2.025 20 0 DEADHO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1ccc2c(c1)CNC2 ZINC000646990469 406936420 /nfs/dbraw/zinc/93/64/20/406936420.db2.gz JCUIMJVYQMTISR-KRWDZBQOSA-N 1 3 301.434 2.171 20 0 DEADHO C[N@H+]1CCCC[C@H]1CCC(=O)NCc1ccc2c(c1)CNC2 ZINC000646990469 406936423 /nfs/dbraw/zinc/93/64/23/406936423.db2.gz JCUIMJVYQMTISR-KRWDZBQOSA-N 1 3 301.434 2.171 20 0 DEADHO Clc1ccc2nc(CN[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cn2c1 ZINC000647788088 407050658 /nfs/dbraw/zinc/05/06/58/407050658.db2.gz CAJNTJCAHRRHCI-SGMGOOAPSA-N 1 3 304.825 2.465 20 0 DEADHO C[C@H]1C[NH2+]C[C@@H](NC2CCN(C(=O)c3ccccc3F)CC2)C1 ZINC000647549415 407018306 /nfs/dbraw/zinc/01/83/06/407018306.db2.gz YKVYUMPTPIKRDA-HIFRSBDPSA-N 1 3 319.424 2.018 20 0 DEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCNCC1 ZINC000643456153 407002039 /nfs/dbraw/zinc/00/20/39/407002039.db2.gz KOIHUARCCASTSS-SOLBZPMBSA-N 1 3 302.466 2.024 20 0 DEADHO CC(C)(CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CCCCO1 ZINC000643466870 407003453 /nfs/dbraw/zinc/00/34/53/407003453.db2.gz WRPZZYAMMRQLCF-TWMKSMIVSA-N 1 3 310.482 2.328 20 0 DEADHO C[C@H]1CC[NH2+]C[C@H]1NC1CCN(C(=O)NC2CCCCC2)CC1 ZINC000643470000 407004471 /nfs/dbraw/zinc/00/44/71/407004471.db2.gz OVESOZKGEULKBM-WMLDXEAASA-N 1 3 322.497 2.081 20 0 DEADHO Cc1c([C@H](C)NCC2CC[NH2+]CC2)nnn1-c1ccc(F)cc1 ZINC000643497841 407007523 /nfs/dbraw/zinc/00/75/23/407007523.db2.gz PLFVYYJECFFAIA-LBPRGKRZSA-N 1 3 317.412 2.365 20 0 DEADHO CC[NH2+]CC1CCN(Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000647503798 407008579 /nfs/dbraw/zinc/00/85/79/407008579.db2.gz KFISTLSHQIHSER-UHFFFAOYSA-N 1 3 315.461 2.400 20 0 DEADHO CCC[C@H](C)NC(=O)[C@H](C)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976526 407091350 /nfs/dbraw/zinc/09/13/50/407091350.db2.gz PSABHEUGBDZTEE-NXOAAHMSSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976774 407091465 /nfs/dbraw/zinc/09/14/65/407091465.db2.gz UFWONKBCHIMQBN-BDXSIMOUSA-N 1 3 321.509 2.393 20 0 DEADHO O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)NCc1ccccc1 ZINC000647975307 407091851 /nfs/dbraw/zinc/09/18/51/407091851.db2.gz VQFDOBCERULKGG-ROUUACIJSA-N 1 3 315.461 2.014 20 0 DEADHO CCC(C)(C)NC(=O)[C@H](C)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976152 407091914 /nfs/dbraw/zinc/09/19/14/407091914.db2.gz KWOLLOIGUGGVQB-JYJNAYRXSA-N 1 3 309.498 2.391 20 0 DEADHO CC1CCC(NC(=O)CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000647975657 407092014 /nfs/dbraw/zinc/09/20/14/407092014.db2.gz DGQDJAPRVXSYQQ-JDEYZFBPSA-N 1 3 321.509 2.393 20 0 DEADHO CC(C)(C)CCNC(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978055 407092665 /nfs/dbraw/zinc/09/26/65/407092665.db2.gz LTCQLDFQFVXMKG-HOTGVXAUSA-N 1 3 309.498 2.250 20 0 DEADHO COc1ccccc1COC1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000647990213 407095320 /nfs/dbraw/zinc/09/53/20/407095320.db2.gz GNODYCDSPBEKNU-OAHLLOKOSA-N 1 3 304.434 2.286 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000569501378 292419753 /nfs/dbraw/zinc/41/97/53/292419753.db2.gz AJPFZIOEZQOACR-ULQDDVLXSA-N 1 3 324.513 2.171 20 0 DEADHO CCCN(Cc1cn(-c2ccncc2)nc1C)[C@@H]1CC[N@H+](C)C1 ZINC000648056510 407111033 /nfs/dbraw/zinc/11/10/33/407111033.db2.gz KRFYUKUNUJQAHR-GOSISDBHSA-N 1 3 313.449 2.492 20 0 DEADHO CCCN(Cc1cn(-c2ccncc2)nc1C)[C@@H]1CC[N@@H+](C)C1 ZINC000648056510 407111034 /nfs/dbraw/zinc/11/10/34/407111034.db2.gz KRFYUKUNUJQAHR-GOSISDBHSA-N 1 3 313.449 2.492 20 0 DEADHO COc1ccc(NC(=O)CCN(C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647815306 407056586 /nfs/dbraw/zinc/05/65/86/407056586.db2.gz YMTZZDWDJZZIMJ-UHFFFAOYSA-N 1 3 317.433 2.240 20 0 DEADHO COc1ccc(NC(=O)CC[N@H+](C2CC2)C2CCNCC2)cc1 ZINC000647815306 407056587 /nfs/dbraw/zinc/05/65/87/407056587.db2.gz YMTZZDWDJZZIMJ-UHFFFAOYSA-N 1 3 317.433 2.240 20 0 DEADHO COc1ccc(NC(=O)CC[N@@H+](C2CC2)C2CCNCC2)cc1 ZINC000647815306 407056588 /nfs/dbraw/zinc/05/65/88/407056588.db2.gz YMTZZDWDJZZIMJ-UHFFFAOYSA-N 1 3 317.433 2.240 20 0 DEADHO Cc1ccc(-c2noc(CCCN(C)CCC[NH3+])n2)cc1F ZINC000647849067 407061500 /nfs/dbraw/zinc/06/15/00/407061500.db2.gz GQYQKCKSXUBMAF-UHFFFAOYSA-N 1 3 306.385 2.397 20 0 DEADHO Cc1ccccc1OCCC[N@@H+](C)C[C@H](O)CN(C)C(C)C ZINC000647960009 407085663 /nfs/dbraw/zinc/08/56/63/407085663.db2.gz ZFVRWVNOJXDQOH-KRWDZBQOSA-N 1 3 308.466 2.397 20 0 DEADHO Cc1ccccc1OCCC[N@H+](C)C[C@H](O)CN(C)C(C)C ZINC000647960009 407085665 /nfs/dbraw/zinc/08/56/65/407085665.db2.gz ZFVRWVNOJXDQOH-KRWDZBQOSA-N 1 3 308.466 2.397 20 0 DEADHO COc1ccc(COCC[N@@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000644784170 407188995 /nfs/dbraw/zinc/18/89/95/407188995.db2.gz CGINOXOURCLNCU-GOSISDBHSA-N 1 3 304.434 2.239 20 0 DEADHO COc1ccc(COCC[N@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000644784170 407188998 /nfs/dbraw/zinc/18/89/98/407188998.db2.gz CGINOXOURCLNCU-GOSISDBHSA-N 1 3 304.434 2.239 20 0 DEADHO CCCN(C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCN(C)C1 ZINC000645205664 407246393 /nfs/dbraw/zinc/24/63/93/407246393.db2.gz KSTKRCXPDJIOKZ-BRWVUGGUSA-N 1 3 324.513 2.233 20 0 DEADHO CCCN(C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCN(C)C1 ZINC000645205664 407246395 /nfs/dbraw/zinc/24/63/95/407246395.db2.gz KSTKRCXPDJIOKZ-BRWVUGGUSA-N 1 3 324.513 2.233 20 0 DEADHO Cc1ccccc1CN1CCCN(C(=O)[C@H]2CC[NH2+][C@@H]2C)CC1 ZINC000645471882 407282679 /nfs/dbraw/zinc/28/26/79/407282679.db2.gz GMJCZWUBNBYUQB-AEFFLSMTSA-N 1 3 315.461 2.027 20 0 DEADHO CC[C@]1(C(=O)Nc2ccc(OCCN(C)C)cc2)CCC[NH2+]1 ZINC000128888538 196001125 /nfs/dbraw/zinc/00/11/25/196001125.db2.gz VDYCXKCLBPMJJK-QGZVFWFLSA-N 1 3 305.422 2.098 20 0 DEADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(CS(C)(=O)=O)c1 ZINC000131621094 196185121 /nfs/dbraw/zinc/18/51/21/196185121.db2.gz XVJKXXGJHGOJPQ-CPUCHLNUSA-N 1 3 324.490 2.050 20 0 DEADHO CC(C)C[C@H](C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC001369430084 1148981135 /nfs/dbraw/zinc/98/11/35/1148981135.db2.gz AKIGEOZLGCJCPX-GOEBONIOSA-N 1 3 320.481 2.461 20 0 DEADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(O)CCOCC2)CC1 ZINC000305147678 287288644 /nfs/dbraw/zinc/28/86/44/287288644.db2.gz SFSAONVCRARPGO-WBVHZDCISA-N 1 3 310.482 2.161 20 0 DEADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CC2(O)CCOCC2)CC1 ZINC000305147678 287288646 /nfs/dbraw/zinc/28/86/46/287288646.db2.gz SFSAONVCRARPGO-WBVHZDCISA-N 1 3 310.482 2.161 20 0 DEADHO C[C@H](C[NH3+])N(C)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000417694247 229070681 /nfs/dbraw/zinc/07/06/81/229070681.db2.gz RUVIADADJVBLFP-CABCVRRESA-N 1 3 318.465 2.201 20 0 DEADHO C[C@H](CC[NH3+])NC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000417735126 229082331 /nfs/dbraw/zinc/08/23/31/229082331.db2.gz KZAHPOHKDOOINM-UMVBOHGHSA-N 1 3 324.494 2.168 20 0 DEADHO C[C@@H](NC(=O)N1C[C@@H](C)NC[C@@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000418180783 229257601 /nfs/dbraw/zinc/25/76/01/229257601.db2.gz KTKLUGQSWLPBKK-DLTWYDFYSA-N 1 3 318.465 2.070 20 0 DEADHO C[NH+](C)CCC1CCN(C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000418457873 229357235 /nfs/dbraw/zinc/35/72/35/229357235.db2.gz WILVKMPIHWCLDF-QGZVFWFLSA-N 1 3 318.465 2.060 20 0 DEADHO [NH3+][C@H]1CCCCC[C@H]1NCc1cccc(CN2CCOCC2)c1 ZINC000422697748 230167971 /nfs/dbraw/zinc/16/79/71/230167971.db2.gz VZGBJJHUVXZJKC-RBUKOAKNSA-N 1 3 317.477 2.268 20 0 DEADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000422697748 230167976 /nfs/dbraw/zinc/16/79/76/230167976.db2.gz VZGBJJHUVXZJKC-RBUKOAKNSA-N 1 3 317.477 2.268 20 0 DEADHO N[C@@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422723754 230179076 /nfs/dbraw/zinc/17/90/76/230179076.db2.gz SIGFKLOFXWUJPQ-SJORKVTESA-N 1 3 309.404 2.399 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]1NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422723754 230179083 /nfs/dbraw/zinc/17/90/83/230179083.db2.gz SIGFKLOFXWUJPQ-SJORKVTESA-N 1 3 309.404 2.399 20 0 DEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCCN1CCCCCC1=O ZINC000422750839 230188583 /nfs/dbraw/zinc/18/85/83/230188583.db2.gz DQGFOVCOYIECJW-WMZOPIPTSA-N 1 3 317.477 2.327 20 0 DEADHO Cc1ccc([C@H](C[NH2+][C@@H]2CCCCC[C@H]2N)N2CCOCC2)o1 ZINC000422798792 230213360 /nfs/dbraw/zinc/21/33/60/230213360.db2.gz SVZMYNLIBYTIGB-ZACQAIPSSA-N 1 3 321.465 2.211 20 0 DEADHO Cc1ccc(C(=O)N2CCC([NH2+][C@@H](C)C[C@@H](C)N)CC2)cc1 ZINC000422900285 230267944 /nfs/dbraw/zinc/26/79/44/230267944.db2.gz AJSCVDXONGQWEQ-CABCVRRESA-N 1 3 303.450 2.315 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CCC[C@H]2[NH3+])C[C@H](C)O1 ZINC000422951082 230290445 /nfs/dbraw/zinc/29/04/45/230290445.db2.gz XKQJHASNWVCPQB-WTLGNFPFSA-N 1 3 317.477 2.265 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2N)C[C@H](C)O1 ZINC000422951082 230290450 /nfs/dbraw/zinc/29/04/50/230290450.db2.gz XKQJHASNWVCPQB-WTLGNFPFSA-N 1 3 317.477 2.265 20 0 DEADHO [NH3+]C[C@H]1CCC[C@H]1NCc1cccc(CN2CCCC2=O)c1 ZINC000422956096 230293101 /nfs/dbraw/zinc/29/31/01/230293101.db2.gz KOKRZZJXVNDKIK-IAGOWNOFSA-N 1 3 301.434 2.026 20 0 DEADHO Cc1ccc(S(=O)(=O)C[C@H](C)N[C@H](C)CCCC[NH3+])cc1 ZINC000423047864 230329605 /nfs/dbraw/zinc/32/96/05/230329605.db2.gz HJFNSSPLLUIPFJ-CABCVRRESA-N 1 3 312.479 2.264 20 0 DEADHO C[C@H](NCc1ccc(OC2CCN(C)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000423099942 230350770 /nfs/dbraw/zinc/35/07/70/230350770.db2.gz FVLMIIPPZFPTBV-KXBFYZLASA-N 1 3 317.477 2.390 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CCC(C[NH+](C)C)CC2)cc1 ZINC000358011107 424821275 /nfs/dbraw/zinc/82/12/75/424821275.db2.gz DYQCXQDPJOHYSH-UHFFFAOYSA-N 1 3 303.450 2.162 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+]CC2CCC(O)CC2)CC1 ZINC001423325818 1173242000 /nfs/dbraw/zinc/24/20/00/1173242000.db2.gz FDXSMNWERICLNW-UHFFFAOYSA-N 1 3 310.482 2.161 20 0 DEADHO C[C@H](C(=O)N[C@@H](C)C1CC[NH+](C)CC1)[C@@H](N)c1ccccc1 ZINC000396487135 424921171 /nfs/dbraw/zinc/92/11/71/424921171.db2.gz KVPLKJMFLYTAAZ-GRDNDAEWSA-N 1 3 303.450 2.169 20 0 DEADHO [NH3+]C1(CC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CCC1 ZINC000309910107 424893649 /nfs/dbraw/zinc/89/36/49/424893649.db2.gz RQMIMARGTOBDQX-KRWDZBQOSA-N 1 3 315.461 2.286 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000648746961 424901486 /nfs/dbraw/zinc/90/14/86/424901486.db2.gz WHEFDSPRJBRZSY-JOCBIADPSA-N 1 3 315.461 2.278 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000648746961 424901488 /nfs/dbraw/zinc/90/14/88/424901488.db2.gz WHEFDSPRJBRZSY-JOCBIADPSA-N 1 3 315.461 2.278 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CNCCC1(F)F ZINC000649310502 424991601 /nfs/dbraw/zinc/99/16/01/424991601.db2.gz OOYBSNCMDWTDNG-KBPBESRZSA-N 1 3 317.424 2.002 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CNCCC1(F)F ZINC000649310502 424991603 /nfs/dbraw/zinc/99/16/03/424991603.db2.gz OOYBSNCMDWTDNG-KBPBESRZSA-N 1 3 317.424 2.002 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000649323594 424992582 /nfs/dbraw/zinc/99/25/82/424992582.db2.gz FZHKXGJWAIAZEX-CWRNSKLLSA-N 1 3 301.434 2.066 20 0 DEADHO CN(CCN1CCCCC1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000650551037 425015538 /nfs/dbraw/zinc/01/55/38/425015538.db2.gz DDYPVRAVVVNDOH-UHFFFAOYSA-N 1 3 324.513 2.423 20 0 DEADHO NC[C@H]1C[N@H+](Cc2cccc3c2CCC3)CC12CCOCC2 ZINC000650703904 425038570 /nfs/dbraw/zinc/03/85/70/425038570.db2.gz XHTBXIPEPOMMLE-KRWDZBQOSA-N 1 3 300.446 2.363 20 0 DEADHO NC[C@H]1C[N@@H+](Cc2cccc3c2CCC3)CC12CCOCC2 ZINC000650703904 425038573 /nfs/dbraw/zinc/03/85/73/425038573.db2.gz XHTBXIPEPOMMLE-KRWDZBQOSA-N 1 3 300.446 2.363 20 0 DEADHO COCCOc1cccc(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000650708866 425039104 /nfs/dbraw/zinc/03/91/04/425039104.db2.gz RGQOGTKMLXVLQZ-WMZOPIPTSA-N 1 3 304.434 2.273 20 0 DEADHO COCCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)c1 ZINC000650708866 425039106 /nfs/dbraw/zinc/03/91/06/425039106.db2.gz RGQOGTKMLXVLQZ-WMZOPIPTSA-N 1 3 304.434 2.273 20 0 DEADHO COCCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)c1 ZINC000650708866 425039109 /nfs/dbraw/zinc/03/91/09/425039109.db2.gz RGQOGTKMLXVLQZ-WMZOPIPTSA-N 1 3 304.434 2.273 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)CCN1CCCCC1 ZINC000650731457 425043628 /nfs/dbraw/zinc/04/36/28/425043628.db2.gz YFOIMIZSAGNHEO-SJORKVTESA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(C)CCN1CCCCC1 ZINC000650731457 425043630 /nfs/dbraw/zinc/04/36/30/425043630.db2.gz YFOIMIZSAGNHEO-SJORKVTESA-N 1 3 324.513 2.234 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000651192820 425113876 /nfs/dbraw/zinc/11/38/76/425113876.db2.gz CAXNGJMHNAWIOT-HOTGVXAUSA-N 1 3 312.502 2.088 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000651192820 425113879 /nfs/dbraw/zinc/11/38/79/425113879.db2.gz CAXNGJMHNAWIOT-HOTGVXAUSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@H]([NH2+][C@@H](C)C1CCN(C)CC1)C(=O)NCCc1ccccc1 ZINC000651456577 425135426 /nfs/dbraw/zinc/13/54/26/425135426.db2.gz WDZDQPLMDNTIRW-HOTGVXAUSA-N 1 3 317.477 2.054 20 0 DEADHO CCN(CCC[NH+](C)C)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000666755741 425176016 /nfs/dbraw/zinc/17/60/16/425176016.db2.gz KWQRNSVJIAXNEF-INIZCTEOSA-N 1 3 312.502 2.090 20 0 DEADHO CN1CC[C@@]2(C1)CCC[N@H+](CCOCCOc1ccccc1)C2 ZINC000660654129 425195117 /nfs/dbraw/zinc/19/51/17/425195117.db2.gz DGYNNIUMGFBOHY-LJQANCHMSA-N 1 3 318.461 2.500 20 0 DEADHO CN1CC[C@@]2(C1)CCC[N@@H+](CCOCCOc1ccccc1)C2 ZINC000660654129 425195121 /nfs/dbraw/zinc/19/51/21/425195121.db2.gz DGYNNIUMGFBOHY-LJQANCHMSA-N 1 3 318.461 2.500 20 0 DEADHO CCN(C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCN(CC)C1 ZINC000663629248 425202599 /nfs/dbraw/zinc/20/25/99/425202599.db2.gz RAYLBMOKXMJQKW-IKGGRYGDSA-N 1 3 324.513 2.233 20 0 DEADHO CCN(C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)[C@H]1CCN(CC)C1 ZINC000663629248 425202602 /nfs/dbraw/zinc/20/26/02/425202602.db2.gz RAYLBMOKXMJQKW-IKGGRYGDSA-N 1 3 324.513 2.233 20 0 DEADHO CC[C@]1(C)CCC[C@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000651830284 425148940 /nfs/dbraw/zinc/14/89/40/425148940.db2.gz JVJITSQTNRFLMZ-QZTJIDSGSA-N 1 3 323.525 2.341 20 0 DEADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cnccn1 ZINC000656684667 425160064 /nfs/dbraw/zinc/16/00/64/425160064.db2.gz WPUNTFROIPNDTM-HNNXBMFYSA-N 1 3 311.433 2.434 20 0 DEADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@H](CO)CCF)CC1 ZINC000652018525 425161535 /nfs/dbraw/zinc/16/15/35/425161535.db2.gz WBPWDNVRNIVPKQ-YJBOKZPZSA-N 1 3 308.441 2.392 20 0 DEADHO CC[C@H](C)CCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000660572319 425164489 /nfs/dbraw/zinc/16/44/89/425164489.db2.gz BESXDOIYIBOETL-HNNXBMFYSA-N 1 3 324.513 2.280 20 0 DEADHO CC[N@H+](C)C[C@@H](O)CN1CCCC[C@H]1Cc1ccc(OC)cc1 ZINC000653779296 425226063 /nfs/dbraw/zinc/22/60/63/425226063.db2.gz SXADNTGFCPAAIR-ZWKOTPCHSA-N 1 3 320.477 2.405 20 0 DEADHO CC[N@@H+](C)C[C@@H](O)CN1CCCC[C@H]1Cc1ccc(OC)cc1 ZINC000653779296 425226066 /nfs/dbraw/zinc/22/60/66/425226066.db2.gz SXADNTGFCPAAIR-ZWKOTPCHSA-N 1 3 320.477 2.405 20 0 DEADHO c1cc(N2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)ccn1 ZINC000652340021 425243429 /nfs/dbraw/zinc/24/34/29/425243429.db2.gz YTHOVODTQDBRDL-UHFFFAOYSA-N 1 3 308.429 2.050 20 0 DEADHO C[C@H](CNCc1ccnn1-c1ccncc1)[N@@H+]1CCC[C@H](C)C1 ZINC000657310909 425299175 /nfs/dbraw/zinc/29/91/75/425299175.db2.gz RNQRYKCXCCFKJS-JKSUJKDBSA-N 1 3 313.449 2.477 20 0 DEADHO C[C@H](CNCc1ccnn1-c1ccncc1)[N@H+]1CCC[C@H](C)C1 ZINC000657310909 425299177 /nfs/dbraw/zinc/29/91/77/425299177.db2.gz RNQRYKCXCCFKJS-JKSUJKDBSA-N 1 3 313.449 2.477 20 0 DEADHO C[C@H](C[NH2+]Cc1ccnn1-c1ccncc1)N1CCC[C@H](C)C1 ZINC000657310909 425299179 /nfs/dbraw/zinc/29/91/79/425299179.db2.gz RNQRYKCXCCFKJS-JKSUJKDBSA-N 1 3 313.449 2.477 20 0 DEADHO C[C@@H](C[NH2+]Cc1ccnn1-c1ccncc1)N1CCC(C)CC1 ZINC000657336185 425308069 /nfs/dbraw/zinc/30/80/69/425308069.db2.gz XWUYREAPRAEVQK-INIZCTEOSA-N 1 3 313.449 2.477 20 0 DEADHO C[C@@H](CNCc1ccnn1-c1ccncc1)[NH+]1CCC(C)CC1 ZINC000657336185 425308070 /nfs/dbraw/zinc/30/80/70/425308070.db2.gz XWUYREAPRAEVQK-INIZCTEOSA-N 1 3 313.449 2.477 20 0 DEADHO Cn1ncc(C2CCC2)c1CNCCCC[N@@H+]1CCC[C@@H]1CO ZINC000657356624 425314512 /nfs/dbraw/zinc/31/45/12/425314512.db2.gz OUVLACOUOCRRBJ-MRXNPFEDSA-N 1 3 320.481 2.014 20 0 DEADHO Cn1ncc(C2CCC2)c1CNCCCC[N@H+]1CCC[C@@H]1CO ZINC000657356624 425314514 /nfs/dbraw/zinc/31/45/14/425314514.db2.gz OUVLACOUOCRRBJ-MRXNPFEDSA-N 1 3 320.481 2.014 20 0 DEADHO CC[C@@H]1C[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CO1 ZINC000657497070 425350786 /nfs/dbraw/zinc/35/07/86/425350786.db2.gz UFRMOBRRVIEKQU-QZTJIDSGSA-N 1 3 318.461 2.171 20 0 DEADHO CC(C)n1nccc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657538081 425359432 /nfs/dbraw/zinc/35/94/32/425359432.db2.gz XQMNLNYDDQUFPA-UHFFFAOYSA-N 1 3 320.481 2.445 20 0 DEADHO CC(C)OC[C@@H](C)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000657595373 425370767 /nfs/dbraw/zinc/37/07/67/425370767.db2.gz HIRBOITZYNCEDP-CRAIPNDOSA-N 1 3 306.450 2.156 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654562863 425383019 /nfs/dbraw/zinc/38/30/19/425383019.db2.gz QPWPAXUDACFFLM-BBWFWOEESA-N 1 3 322.497 2.177 20 0 DEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654562863 425383021 /nfs/dbraw/zinc/38/30/21/425383021.db2.gz QPWPAXUDACFFLM-BBWFWOEESA-N 1 3 322.497 2.177 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654566371 425384520 /nfs/dbraw/zinc/38/45/20/425384520.db2.gz AWUXNNJLJOTFBP-GVDBMIGSSA-N 1 3 324.513 2.423 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654566371 425384524 /nfs/dbraw/zinc/38/45/24/425384524.db2.gz AWUXNNJLJOTFBP-GVDBMIGSSA-N 1 3 324.513 2.423 20 0 DEADHO CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654732771 425428337 /nfs/dbraw/zinc/42/83/37/425428337.db2.gz GFGBFBHXRHANLG-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO CCCN(C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1CCN(C)C1 ZINC000654737296 425430047 /nfs/dbraw/zinc/43/00/47/425430047.db2.gz NVADXUOIESVARS-GVDBMIGSSA-N 1 3 322.497 2.129 20 0 DEADHO CCCN(C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1CCN(C)C1 ZINC000654737296 425430050 /nfs/dbraw/zinc/43/00/50/425430050.db2.gz NVADXUOIESVARS-GVDBMIGSSA-N 1 3 322.497 2.129 20 0 DEADHO CCN(C(=O)NCC[C@H](C)[NH+]1CCCCC1)[C@H]1CCN(CC)C1 ZINC000664643701 425430635 /nfs/dbraw/zinc/43/06/35/425430635.db2.gz UTARFOWRURABOB-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO Cc1ncncc1[C@H](C)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000658070851 425433849 /nfs/dbraw/zinc/43/38/49/425433849.db2.gz SFEDMVPSLWFVGS-AWEZNQCLSA-N 1 3 318.465 2.327 20 0 DEADHO C[C@H]([NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1)[C@@]1(C)CCCO1 ZINC000658134308 425442731 /nfs/dbraw/zinc/44/27/31/425442731.db2.gz ACTYJUPQRGTCEG-KFKAGJAMSA-N 1 3 318.461 2.300 20 0 DEADHO COC[C@@H]([NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1)C(C)C ZINC000658138138 425444299 /nfs/dbraw/zinc/44/42/99/425444299.db2.gz IUXFVSIOPIKGMX-QZTJIDSGSA-N 1 3 306.450 2.014 20 0 DEADHO CN(C[C@@H]1CCCN1C)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000661854086 425513465 /nfs/dbraw/zinc/51/34/65/425513465.db2.gz HANMTAPKHKEUMT-WBVHZDCISA-N 1 3 322.497 2.129 20 0 DEADHO CN(C[C@@H]1CCCN1C)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000661854086 425513469 /nfs/dbraw/zinc/51/34/69/425513469.db2.gz HANMTAPKHKEUMT-WBVHZDCISA-N 1 3 322.497 2.129 20 0 DEADHO CCCN1CC[C@H](NC(=O)Nc2ccccc2C[NH2+]CC)C1 ZINC000659019193 425521320 /nfs/dbraw/zinc/52/13/20/425521320.db2.gz OFEPUDMSDYRQIX-HNNXBMFYSA-N 1 3 304.438 2.402 20 0 DEADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H]2CCOC[C@H]2C)cc1F ZINC000665259365 425531096 /nfs/dbraw/zinc/53/10/96/425531096.db2.gz DADYKAYAWWEIQN-QCPWZWHMSA-N 1 3 322.424 2.294 20 0 DEADHO CN(C(=O)NC[C@H]1CCN1C(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000665357351 425551140 /nfs/dbraw/zinc/55/11/40/425551140.db2.gz KUECKDCJBUAYGW-IUOOZAAYSA-N 1 3 322.497 2.126 20 0 DEADHO CN(C(=O)NC[C@H]1CCN1C(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000665357351 425551145 /nfs/dbraw/zinc/55/11/45/425551145.db2.gz KUECKDCJBUAYGW-IUOOZAAYSA-N 1 3 322.497 2.126 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCN2C(C)(C)C)C[C@H]1C ZINC000665364130 425553960 /nfs/dbraw/zinc/55/39/60/425553960.db2.gz KIXKCLZISWIPGJ-OWCLPIDISA-N 1 3 324.513 2.373 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCN2C(C)(C)C)C[C@H]1C ZINC000665364130 425553963 /nfs/dbraw/zinc/55/39/63/425553963.db2.gz KIXKCLZISWIPGJ-OWCLPIDISA-N 1 3 324.513 2.373 20 0 DEADHO C[C@@H]1C[C@@H](N(C)C(=O)C[C@@H]2NCc3ccccc32)CC[N@@H+]1C ZINC000659264932 425563007 /nfs/dbraw/zinc/56/30/07/425563007.db2.gz WLJNKYVRKCDYLO-KMFMINBZSA-N 1 3 301.434 2.162 20 0 DEADHO C[C@@H]1C[C@@H](N(C)C(=O)C[C@@H]2NCc3ccccc32)CC[N@H+]1C ZINC000659264932 425563012 /nfs/dbraw/zinc/56/30/12/425563012.db2.gz WLJNKYVRKCDYLO-KMFMINBZSA-N 1 3 301.434 2.162 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655467774 425575350 /nfs/dbraw/zinc/57/53/50/425575350.db2.gz JNSXPRIPLKKTKM-HKUYNNGSSA-N 1 3 321.509 2.347 20 0 DEADHO O=C(C[C@H]1[NH2+]Cc2ccccc21)Nc1ccc2c(c1)CNCCO2 ZINC000659313834 425575380 /nfs/dbraw/zinc/57/53/80/425575380.db2.gz RBPRPJKDJHDHTJ-QGZVFWFLSA-N 1 3 323.396 2.342 20 0 DEADHO O[C@H]1CCN(C2CC[NH+](CCCCC3CCOCC3)CC2)C1 ZINC000662152517 425577466 /nfs/dbraw/zinc/57/74/66/425577466.db2.gz UQUQNEIEXLYUII-SFHVURJKSA-N 1 3 310.482 2.114 20 0 DEADHO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H](C)N ZINC000659356610 425584004 /nfs/dbraw/zinc/58/40/04/425584004.db2.gz JXRWQSRVBQJKKW-CYBMUJFWSA-N 1 3 311.857 2.358 20 0 DEADHO CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1CCCC1 ZINC000665638903 425611040 /nfs/dbraw/zinc/61/10/40/425611040.db2.gz GAYOTWRENFJXFK-HNNXBMFYSA-N 1 3 312.502 2.233 20 0 DEADHO CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1CCCC1 ZINC000665638903 425611043 /nfs/dbraw/zinc/61/10/43/425611043.db2.gz GAYOTWRENFJXFK-HNNXBMFYSA-N 1 3 312.502 2.233 20 0 DEADHO COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662249715 425601278 /nfs/dbraw/zinc/60/12/78/425601278.db2.gz YIPQCQFYJXPYGV-IRXDYDNUSA-N 1 3 302.418 2.353 20 0 DEADHO COc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662249715 425601281 /nfs/dbraw/zinc/60/12/81/425601281.db2.gz YIPQCQFYJXPYGV-IRXDYDNUSA-N 1 3 302.418 2.353 20 0 DEADHO c1ccc(CN(C[C@H]2CCC3(C[NH2+]C3)O2)C[C@@H]2CCCO2)cc1 ZINC000662253010 425602357 /nfs/dbraw/zinc/60/23/57/425602357.db2.gz FZLHIWZQPZUFBP-ZWKOTPCHSA-N 1 3 316.445 2.189 20 0 DEADHO Fc1ccc(C[C@@H]2CCC[N@@H+]2C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662251716 425602982 /nfs/dbraw/zinc/60/29/82/425602982.db2.gz DURRUOKPKXIPGB-IRXDYDNUSA-N 1 3 304.409 2.354 20 0 DEADHO Fc1ccc(C[C@@H]2CCC[N@H+]2C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662251716 425602985 /nfs/dbraw/zinc/60/29/85/425602985.db2.gz DURRUOKPKXIPGB-IRXDYDNUSA-N 1 3 304.409 2.354 20 0 DEADHO CC[C@@H]([NH2+]C)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000662425352 425648017 /nfs/dbraw/zinc/64/80/17/425648017.db2.gz FXAQCDWPZFEXQZ-OAHLLOKOSA-N 1 3 309.479 2.074 20 0 DEADHO CC[C@@H](NC)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000662483086 425662362 /nfs/dbraw/zinc/66/23/62/425662362.db2.gz AETYQXNELNZCAP-WMLDXEAASA-N 1 3 319.449 2.344 20 0 DEADHO CC[C@@H](NC)C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000662483086 425662365 /nfs/dbraw/zinc/66/23/65/425662365.db2.gz AETYQXNELNZCAP-WMLDXEAASA-N 1 3 319.449 2.344 20 0 DEADHO CC(C)NCC(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000662486628 425664169 /nfs/dbraw/zinc/66/41/69/425664169.db2.gz YPKMBEYYTHSUQK-HNNXBMFYSA-N 1 3 319.449 2.344 20 0 DEADHO CC(C)NCC(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000662486628 425664173 /nfs/dbraw/zinc/66/41/73/425664173.db2.gz YPKMBEYYTHSUQK-HNNXBMFYSA-N 1 3 319.449 2.344 20 0 DEADHO CCN(CCC[NH+](CC)CC)C(=O)c1cccc2c1CNC2 ZINC000662535837 425677031 /nfs/dbraw/zinc/67/70/31/425677031.db2.gz UPYFMIJOHGQOBS-UHFFFAOYSA-N 1 3 303.450 2.484 20 0 DEADHO CCC[C@H](C)NC(=O)[C@@H](C)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290239 425613814 /nfs/dbraw/zinc/61/38/14/425613814.db2.gz BLJVVYPIMGWXEA-UXLLHSPISA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H]1C[N@H+](C[C@H]2CCC3(CNC3)O2)CCc2ccc(F)cc21 ZINC000662284958 425613990 /nfs/dbraw/zinc/61/39/90/425613990.db2.gz SCRQPPIDSMDPNZ-XJKSGUPXSA-N 1 3 304.409 2.308 20 0 DEADHO C[C@H]1C[N@@H+](C[C@H]2CCC3(CNC3)O2)CCc2ccc(F)cc21 ZINC000662284958 425613992 /nfs/dbraw/zinc/61/39/92/425613992.db2.gz SCRQPPIDSMDPNZ-XJKSGUPXSA-N 1 3 304.409 2.308 20 0 DEADHO C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292921 425615312 /nfs/dbraw/zinc/61/53/12/425615312.db2.gz BXVDDLYUNGXTDY-NUJGCVRESA-N 1 3 321.509 2.488 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000659524615 425620842 /nfs/dbraw/zinc/62/08/42/425620842.db2.gz VAJFHHMXGJRDST-INIZCTEOSA-N 1 3 310.486 2.082 20 0 DEADHO COc1cccc(NC(=O)CN2CCC[C@@H](C)[C@H]2CCC[NH3+])c1 ZINC000662312943 425620982 /nfs/dbraw/zinc/62/09/82/425620982.db2.gz BMNKVFSYFNFSBL-RHSMWYFYSA-N 1 3 319.449 2.473 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000662337837 425627787 /nfs/dbraw/zinc/62/77/87/425627787.db2.gz VCOXCZPBUPUBLN-JQHSSLGASA-N 1 3 313.445 2.212 20 0 DEADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000655707423 425633007 /nfs/dbraw/zinc/63/30/07/425633007.db2.gz RFYRNIXYPWFQIH-ZMMAXQRCSA-N 1 3 323.525 2.196 20 0 DEADHO C[NH2+]CCC1CCN(C(=O)N[C@@H](C)CN2CCC(C)CC2)CC1 ZINC000659606811 425635439 /nfs/dbraw/zinc/63/54/39/425635439.db2.gz VSQFAAADUIOQLB-INIZCTEOSA-N 1 3 324.513 2.138 20 0 DEADHO CCCCN1CCCC[C@@H]1C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000655715021 425636174 /nfs/dbraw/zinc/63/61/74/425636174.db2.gz HWHJFIPLHMQYQS-MOPGFXCFSA-N 1 3 323.525 2.484 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](C)[C@@H]1C ZINC000665758324 425640078 /nfs/dbraw/zinc/64/00/78/425640078.db2.gz FPBCDASNFZIHFP-PMPSAXMXSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](C)[C@@H]1C ZINC000665758324 425640081 /nfs/dbraw/zinc/64/00/81/425640081.db2.gz FPBCDASNFZIHFP-PMPSAXMXSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H](CNC(=O)C[C@H]1NCc2ccccc21)C[NH+]1CCCC1 ZINC000662392751 425640289 /nfs/dbraw/zinc/64/02/89/425640289.db2.gz HIYBQVCOFPWFPI-WMLDXEAASA-N 1 3 301.434 2.069 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1(C)CCCCC1 ZINC000665757224 425641137 /nfs/dbraw/zinc/64/11/37/425641137.db2.gz CBJGRZWDRSDYHL-HNNXBMFYSA-N 1 3 312.502 2.280 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1(C)CCCCC1 ZINC000665757224 425641141 /nfs/dbraw/zinc/64/11/41/425641141.db2.gz CBJGRZWDRSDYHL-HNNXBMFYSA-N 1 3 312.502 2.280 20 0 DEADHO C[NH2+]C[C@@H](C)NC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000659647174 425642257 /nfs/dbraw/zinc/64/22/57/425642257.db2.gz LTUXNPPRGFFWID-KLAILNCOSA-N 1 3 324.513 2.136 20 0 DEADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1cc2c(s1)CC[NH2+]C2 ZINC000662836446 425743553 /nfs/dbraw/zinc/74/35/53/425743553.db2.gz ZPGDVHRWNCHZES-KGLIPLIRSA-N 1 3 319.474 2.141 20 0 DEADHO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2c(s1)CCNC2 ZINC000662836446 425743556 /nfs/dbraw/zinc/74/35/56/425743556.db2.gz ZPGDVHRWNCHZES-KGLIPLIRSA-N 1 3 319.474 2.141 20 0 DEADHO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc2c(s1)CCNC2 ZINC000662836446 425743559 /nfs/dbraw/zinc/74/35/59/425743559.db2.gz ZPGDVHRWNCHZES-KGLIPLIRSA-N 1 3 319.474 2.141 20 0 DEADHO [NH3+]Cc1ccc(NC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000655909431 425682847 /nfs/dbraw/zinc/68/28/47/425682847.db2.gz JTTOYTKOPYLMMK-CVEARBPZSA-N 1 3 302.422 2.284 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C[C@@H](N)Cc2ccccc2)C1 ZINC000662589449 425686935 /nfs/dbraw/zinc/68/69/35/425686935.db2.gz CHAFJOLLBNFJPM-IRXDYDNUSA-N 1 3 317.477 2.183 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C[C@@H](N)Cc2ccccc2)C1 ZINC000662589449 425686938 /nfs/dbraw/zinc/68/69/38/425686938.db2.gz CHAFJOLLBNFJPM-IRXDYDNUSA-N 1 3 317.477 2.183 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662589287 425687088 /nfs/dbraw/zinc/68/70/88/425687088.db2.gz HSIXBAQFZGPEBL-IAGOWNOFSA-N 1 3 307.482 2.099 20 0 DEADHO CC1(C)CC[NH2+][C@@H]1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000662666472 425707596 /nfs/dbraw/zinc/70/75/96/425707596.db2.gz SOKNGFULTQZVIE-IAGOWNOFSA-N 1 3 315.461 2.328 20 0 DEADHO COC[C@H]1CCCN1CC1(C[N@@H+]2CCC[C@H]2COC)CCC1 ZINC000659989885 425709838 /nfs/dbraw/zinc/70/98/38/425709838.db2.gz VIWKPAQBUISPBX-CALCHBBNSA-N 1 3 310.482 2.378 20 0 DEADHO COC[C@H]1CCCN1CC1(C[N@H+]2CCC[C@H]2COC)CCC1 ZINC000659989885 425709840 /nfs/dbraw/zinc/70/98/40/425709840.db2.gz VIWKPAQBUISPBX-CALCHBBNSA-N 1 3 310.482 2.378 20 0 DEADHO COC[C@H]1CCC[N@H+]1CC1(CN2CCC[C@H]2COC)CCC1 ZINC000659989885 425709843 /nfs/dbraw/zinc/70/98/43/425709843.db2.gz VIWKPAQBUISPBX-CALCHBBNSA-N 1 3 310.482 2.378 20 0 DEADHO COC[C@H]1CCC[N@@H+]1CC1(CN2CCC[C@H]2COC)CCC1 ZINC000659989885 425709846 /nfs/dbraw/zinc/70/98/46/425709846.db2.gz VIWKPAQBUISPBX-CALCHBBNSA-N 1 3 310.482 2.378 20 0 DEADHO CC[NH+](CC)CCCCNC(=O)C[C@@H]1NCc2ccccc21 ZINC000662681729 425711531 /nfs/dbraw/zinc/71/15/31/425711531.db2.gz CJMYEUUZYRVVGK-KRWDZBQOSA-N 1 3 303.450 2.459 20 0 DEADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C[C@H](N)c1ccccc1 ZINC000662695049 425714885 /nfs/dbraw/zinc/71/48/85/425714885.db2.gz WWBMCACYSUEEFJ-WBVHZDCISA-N 1 3 303.450 2.313 20 0 DEADHO CC(C)(N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662716359 425720233 /nfs/dbraw/zinc/72/02/33/425720233.db2.gz RVRIZZHTDDLLSA-INIZCTEOSA-N 1 3 315.461 2.142 20 0 DEADHO CC(C)(N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000662716359 425720236 /nfs/dbraw/zinc/72/02/36/425720236.db2.gz RVRIZZHTDDLLSA-INIZCTEOSA-N 1 3 315.461 2.142 20 0 DEADHO C[C@H](CNC(=O)[C@H]1[NH2+]CCC1(C)C)N(C)Cc1ccccc1 ZINC000662730759 425724366 /nfs/dbraw/zinc/72/43/66/425724366.db2.gz OTEJPPYIYVUCRT-GDBMZVCRSA-N 1 3 303.450 2.011 20 0 DEADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2[NH2+]CCC2(C)C)C1 ZINC000662747041 425728443 /nfs/dbraw/zinc/72/84/43/425728443.db2.gz QKHXUKBVHBEVDK-SJORKVTESA-N 1 3 315.461 2.107 20 0 DEADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)[C@H]2[NH2+]CCC2(C)C)C1 ZINC000662747037 425728875 /nfs/dbraw/zinc/72/88/75/425728875.db2.gz QKHXUKBVHBEVDK-DLBZAZTESA-N 1 3 315.461 2.107 20 0 DEADHO C[NH2+]C[C@@H](C)NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000662966118 425767653 /nfs/dbraw/zinc/76/76/53/425767653.db2.gz PLYMERXNUIVQMX-CVEARBPZSA-N 1 3 317.477 2.054 20 0 DEADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000660231444 425772871 /nfs/dbraw/zinc/77/28/71/425772871.db2.gz BMKSSWCTANVUDZ-IRXDYDNUSA-N 1 3 306.450 2.088 20 0 DEADHO CC(C)N(C)C[C@H](O)C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000660231444 425772875 /nfs/dbraw/zinc/77/28/75/425772875.db2.gz BMKSSWCTANVUDZ-IRXDYDNUSA-N 1 3 306.450 2.088 20 0 DEADHO N[C@H](CC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000662840158 425745628 /nfs/dbraw/zinc/74/56/28/425745628.db2.gz YNTFXRAKQNHJSE-BRWVUGGUSA-N 1 3 301.434 2.210 20 0 DEADHO N[C@H](CC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000662840158 425745632 /nfs/dbraw/zinc/74/56/32/425745632.db2.gz YNTFXRAKQNHJSE-BRWVUGGUSA-N 1 3 301.434 2.210 20 0 DEADHO C[NH2+]CCc1ccccc1C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000662853518 425750275 /nfs/dbraw/zinc/75/02/75/425750275.db2.gz PLLKOQRCJOVVMB-OAHLLOKOSA-N 1 3 303.450 2.051 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000662867266 425752175 /nfs/dbraw/zinc/75/21/75/425752175.db2.gz JPFRCELRWPZTDA-JOCBIADPSA-N 1 3 315.461 2.121 20 0 DEADHO C[C@@H](NC1CC1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000296177546 268806713 /nfs/dbraw/zinc/80/67/13/268806713.db2.gz XPGFQHRTFHNUSG-CQSZACIVSA-N 1 3 301.434 2.039 20 0 DEADHO N[C@H](CC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000370861075 269086770 /nfs/dbraw/zinc/08/67/70/269086770.db2.gz LJCXYUGXZHZGBZ-NVXWUHKLSA-N 1 3 301.434 2.210 20 0 DEADHO N[C@H](CC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000370861075 269086772 /nfs/dbraw/zinc/08/67/72/269086772.db2.gz LJCXYUGXZHZGBZ-NVXWUHKLSA-N 1 3 301.434 2.210 20 0 DEADHO OC1(C[NH2+][C@@H]2CCSC2)CCN(Cc2ccccc2)CC1 ZINC000397498084 269106564 /nfs/dbraw/zinc/10/65/64/269106564.db2.gz SDYYCIFPVGWOQE-MRXNPFEDSA-N 1 3 306.475 2.109 20 0 DEADHO OC1(C[NH2+]C[C@@H]2CCCOC2)CCN(Cc2ccccc2)CC1 ZINC000397527754 269106658 /nfs/dbraw/zinc/10/66/58/269106658.db2.gz XKSRTVGKZBYRBJ-SFHVURJKSA-N 1 3 318.461 2.030 20 0 DEADHO C[C@H](CCNC(=O)[C@H](N)C1CCC1)[N@H+](C)Cc1ccccc1 ZINC000398979702 269110842 /nfs/dbraw/zinc/11/08/42/269110842.db2.gz DOGMWRNDZLQRMS-RHSMWYFYSA-N 1 3 303.450 2.141 20 0 DEADHO C[C@H](CCNC(=O)[C@H](N)C1CCC1)[N@@H+](C)Cc1ccccc1 ZINC000398979702 269110843 /nfs/dbraw/zinc/11/08/43/269110843.db2.gz DOGMWRNDZLQRMS-RHSMWYFYSA-N 1 3 303.450 2.141 20 0 DEADHO CCCc1csc(CNC2CCN(CC[NH+](C)C)CC2)n1 ZINC000494294865 269149292 /nfs/dbraw/zinc/14/92/92/269149292.db2.gz DLHQZYYKBHYTAL-UHFFFAOYSA-N 1 3 310.511 2.211 20 0 DEADHO COC(=O)N1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1 ZINC000496490896 269223636 /nfs/dbraw/zinc/22/36/36/269223636.db2.gz MFGVNDMIXYUGOX-BRWVUGGUSA-N 1 3 323.481 2.365 20 0 DEADHO CCN1CC[C@@H](C[NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000496895028 269263932 /nfs/dbraw/zinc/26/39/32/269263932.db2.gz WINUZCSCBVPEKC-AWEZNQCLSA-N 1 3 311.470 2.223 20 0 DEADHO C[C@@H]1CC[N@H+](CC2(CN)CC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000497151914 269291211 /nfs/dbraw/zinc/29/12/11/269291211.db2.gz VBWXRADRVOCWDD-ZIAGYGMSSA-N 1 3 311.470 2.208 20 0 DEADHO C[C@@H]1CC[N@@H+](CC2(CN)CC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000497151914 269291212 /nfs/dbraw/zinc/29/12/12/269291212.db2.gz VBWXRADRVOCWDD-ZIAGYGMSSA-N 1 3 311.470 2.208 20 0 DEADHO C[N@H+](CCCCNC(=O)Nc1cccc2c1CCNC2)C1CC1 ZINC000514847990 269333656 /nfs/dbraw/zinc/33/36/56/269333656.db2.gz VIZQABOLSNUIOZ-UHFFFAOYSA-N 1 3 316.449 2.328 20 0 DEADHO C[N@@H+](CCCCNC(=O)Nc1cccc2c1CCNC2)C1CC1 ZINC000514847990 269333658 /nfs/dbraw/zinc/33/36/58/269333658.db2.gz VIZQABOLSNUIOZ-UHFFFAOYSA-N 1 3 316.449 2.328 20 0 DEADHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000517229990 269380038 /nfs/dbraw/zinc/38/00/38/269380038.db2.gz WKYAROXQBANSMK-YNEHKIRRSA-N 1 3 321.387 2.037 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000517229990 269380040 /nfs/dbraw/zinc/38/00/40/269380040.db2.gz WKYAROXQBANSMK-YNEHKIRRSA-N 1 3 321.387 2.037 20 0 DEADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNCCC(N)=O)cc2)C1 ZINC000518568458 269401539 /nfs/dbraw/zinc/40/15/39/269401539.db2.gz OYIMCLFYPZDTGZ-GJZGRUSLSA-N 1 3 303.450 2.130 20 0 DEADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000426320854 274339783 /nfs/dbraw/zinc/33/97/83/274339783.db2.gz AEEGNVLREQIYEU-JKIFEVAISA-N 1 3 313.445 2.357 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000418361293 275748882 /nfs/dbraw/zinc/74/88/82/275748882.db2.gz UCVVRMLJUZQQMB-XOKHGSTOSA-N 1 3 318.465 2.189 20 0 DEADHO CC(C)[C@H](O)CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422791992 276024310 /nfs/dbraw/zinc/02/43/10/276024310.db2.gz YZLZTZQISJIBRP-JFIYKMOQSA-N 1 3 304.434 2.239 20 0 DEADHO CCN(CC)CC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000377111756 276094527 /nfs/dbraw/zinc/09/45/27/276094527.db2.gz IIRISEQGOWNCOD-LJQANCHMSA-N 1 3 317.477 2.357 20 0 DEADHO CCN(CC)CC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000377111756 276094528 /nfs/dbraw/zinc/09/45/28/276094528.db2.gz IIRISEQGOWNCOD-LJQANCHMSA-N 1 3 317.477 2.357 20 0 DEADHO CC1CCC([N@H+](C[C@H]2CCCN(C(=O)CN)C2)C2CC2)CC1 ZINC000414709748 276189761 /nfs/dbraw/zinc/18/97/61/276189761.db2.gz RRTOMFKCVKDUIX-PCKAHOCUSA-N 1 3 307.482 2.227 20 0 DEADHO CC1CCC([N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C2CC2)CC1 ZINC000414709748 276189762 /nfs/dbraw/zinc/18/97/62/276189762.db2.gz RRTOMFKCVKDUIX-PCKAHOCUSA-N 1 3 307.482 2.227 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+][C@H]2CCO[C@H](C)C2)CC1 ZINC000354709054 276203633 /nfs/dbraw/zinc/20/36/33/276203633.db2.gz PSOJJLBCHZMJSI-AEFFLSMTSA-N 1 3 317.477 2.486 20 0 DEADHO CCCCCNC(=O)[C@@H](C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374156352 276227794 /nfs/dbraw/zinc/22/77/94/276227794.db2.gz CQRFQKVRTNCQKY-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CC[NH2+]Cc1cccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)c1 ZINC000415908782 276267112 /nfs/dbraw/zinc/26/71/12/276267112.db2.gz QOZCTBXZVYTIRU-QGZVFWFLSA-N 1 3 314.433 2.274 20 0 DEADHO CCO[C@@H]1C[C@@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)C12CCC2 ZINC000245964228 276344401 /nfs/dbraw/zinc/34/44/01/276344401.db2.gz YSHBEHYTIYWEKY-KBAYOESNSA-N 1 3 322.493 2.425 20 0 DEADHO C[NH2+]Cc1cccc(NC(=O)N2CC[C@@]3(C2)CCCN(C)C3)c1 ZINC000415929117 277034049 /nfs/dbraw/zinc/03/40/49/277034049.db2.gz IKIZWLHQMZIBAU-SFHVURJKSA-N 1 3 316.449 2.356 20 0 DEADHO COC1CCN(C(C)(C)CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339072673 277194466 /nfs/dbraw/zinc/19/44/66/277194466.db2.gz YYVQXADSADINFX-CVEARBPZSA-N 1 3 309.498 2.092 20 0 DEADHO COC1CCN(C(C)(C)CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339072673 277194467 /nfs/dbraw/zinc/19/44/67/277194467.db2.gz YYVQXADSADINFX-CVEARBPZSA-N 1 3 309.498 2.092 20 0 DEADHO CNC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000290284389 277231301 /nfs/dbraw/zinc/23/13/01/277231301.db2.gz XMYMZFODVFLVAT-AEFFLSMTSA-N 1 3 317.477 2.403 20 0 DEADHO CNC(=O)C[C@@H](C)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000290284389 277231302 /nfs/dbraw/zinc/23/13/02/277231302.db2.gz XMYMZFODVFLVAT-AEFFLSMTSA-N 1 3 317.477 2.403 20 0 DEADHO CNC(=O)C[C@@H](C)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290284389 277231304 /nfs/dbraw/zinc/23/13/04/277231304.db2.gz XMYMZFODVFLVAT-AEFFLSMTSA-N 1 3 317.477 2.403 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000177671611 277385191 /nfs/dbraw/zinc/38/51/91/277385191.db2.gz MQVQOQBPGIMUPE-GDBMZVCRSA-N 1 3 322.497 2.031 20 0 DEADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000353465049 277835999 /nfs/dbraw/zinc/83/59/99/277835999.db2.gz ZEWPXJMDDCJIIA-FOIPXRHGSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H](C)C[NH+]1CCCC1)N1CCCCC1 ZINC000354579174 277868709 /nfs/dbraw/zinc/86/87/09/277868709.db2.gz OLXRIZAVWNXXPE-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO COc1cccc2c1CC[C@H]2[NH2+]CCCN1CCCN(C)CC1 ZINC000268866193 278036226 /nfs/dbraw/zinc/03/62/26/278036226.db2.gz IZCGHQKAQJYSAP-GOSISDBHSA-N 1 3 317.477 2.300 20 0 DEADHO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420331384 278199903 /nfs/dbraw/zinc/19/99/03/278199903.db2.gz BVJUIHQUDBEOQG-FLXSYLCISA-N 1 3 321.509 2.201 20 0 DEADHO C[C@@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)CN1CCCC1 ZINC000062078830 278282996 /nfs/dbraw/zinc/28/29/96/278282996.db2.gz VRNMYSAUCQWDIQ-ZDUSSCGKSA-N 1 3 307.404 2.335 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)[C@@H](CN)c2ccccc2)CC1 ZINC000236696734 278539484 /nfs/dbraw/zinc/53/94/84/278539484.db2.gz PVKSXWNUJBJCGQ-SFHVURJKSA-N 1 3 317.477 2.357 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)N2CCCC2)cc1 ZINC000449338314 278844294 /nfs/dbraw/zinc/84/42/94/278844294.db2.gz VEJGBTSQDXYCCS-KBAYOESNSA-N 1 3 315.461 2.104 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000448246758 279034986 /nfs/dbraw/zinc/03/49/86/279034986.db2.gz GAVFCKMURSJBKD-JKSUJKDBSA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000448246758 279034987 /nfs/dbraw/zinc/03/49/87/279034987.db2.gz GAVFCKMURSJBKD-JKSUJKDBSA-N 1 3 324.513 2.090 20 0 DEADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NCCN(C)C1CC1 ZINC000431692566 279134595 /nfs/dbraw/zinc/13/45/95/279134595.db2.gz PNGJEYCJYSJICJ-NVXWUHKLSA-N 1 3 324.513 2.280 20 0 DEADHO CCN(CCCN1CC[C@@]2(CC[N@H+](C)C2)C1)CC(F)(F)F ZINC000429002942 279182693 /nfs/dbraw/zinc/18/26/93/279182693.db2.gz CIXLAODJDZDOKL-CQSZACIVSA-N 1 3 307.404 2.288 20 0 DEADHO CCN(CCCN1CC[C@@]2(CC[N@@H+](C)C2)C1)CC(F)(F)F ZINC000429002942 279182695 /nfs/dbraw/zinc/18/26/95/279182695.db2.gz CIXLAODJDZDOKL-CQSZACIVSA-N 1 3 307.404 2.288 20 0 DEADHO CCN1CCC(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000337388549 279260975 /nfs/dbraw/zinc/26/09/75/279260975.db2.gz GFFDLZCIXDJVNP-INIZCTEOSA-N 1 3 324.513 2.425 20 0 DEADHO CCN1CCC(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000337388549 279260976 /nfs/dbraw/zinc/26/09/76/279260976.db2.gz GFFDLZCIXDJVNP-INIZCTEOSA-N 1 3 324.513 2.425 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@@H](C)C1 ZINC000444148974 279302575 /nfs/dbraw/zinc/30/25/75/279302575.db2.gz ZBVOIGAVHVBLSB-BRWVUGGUSA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@@H](C)C1 ZINC000444148974 279302578 /nfs/dbraw/zinc/30/25/78/279302578.db2.gz ZBVOIGAVHVBLSB-BRWVUGGUSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)CN(C)C ZINC000293718656 279348245 /nfs/dbraw/zinc/34/82/45/279348245.db2.gz PKZMZRSALWLRQS-KGLIPLIRSA-N 1 3 305.422 2.492 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)N2CCCC23CCN(C)CC3)CC1 ZINC000378337502 279480691 /nfs/dbraw/zinc/48/06/91/279480691.db2.gz VUBVUEDIQZKJOM-UHFFFAOYSA-N 1 3 322.497 2.129 20 0 DEADHO N[C@H](CNC(=O)NCC[NH2+]C1CCCCCC1)c1ccccc1 ZINC000418453495 279684331 /nfs/dbraw/zinc/68/43/31/279684331.db2.gz PHZRUHFLJXUZSL-QGZVFWFLSA-N 1 3 318.465 2.298 20 0 DEADHO CC(C)[C@H](C(=O)NCC1(C)CC[NH+](C)CC1)N1CCCCC1 ZINC000357467859 280169247 /nfs/dbraw/zinc/16/92/47/280169247.db2.gz MONDRRYAEKAOAV-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@H](C(=O)NCCN1CCC(C)CC1)[NH+]1CCCCC1 ZINC000354165094 280170544 /nfs/dbraw/zinc/17/05/44/280170544.db2.gz DOICAICIYODQHO-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000423751987 280237307 /nfs/dbraw/zinc/23/73/07/280237307.db2.gz AMGXXYDKIPXDMO-GJZGRUSLSA-N 1 3 311.857 2.290 20 0 DEADHO CC[C@H](C)[C@@H](N)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000167390534 280759385 /nfs/dbraw/zinc/75/93/85/280759385.db2.gz QQTUUILIGGMBPE-GVDBMIGSSA-N 1 3 309.498 2.474 20 0 DEADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000353457857 281247555 /nfs/dbraw/zinc/24/75/55/281247555.db2.gz IFNJOPFRBABJPO-BHUNQDJPSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC1([NH3+])CCC1)N(C)C ZINC000418176442 292686171 /nfs/dbraw/zinc/68/61/71/292686171.db2.gz GZGVCWYZOMHVQE-ZBFHGGJFSA-N 1 3 318.465 2.167 20 0 DEADHO C[C@@H]1[C@H](NC(=O)N[C@H](CN(C)C)c2ccccc2)CCC[N@@H+]1C ZINC000345401827 289057358 /nfs/dbraw/zinc/05/73/58/289057358.db2.gz BQKUNVJUXWPBKW-DJIMGWMZSA-N 1 3 318.465 2.071 20 0 DEADHO C[C@@H]1[C@H](NC(=O)N[C@H](CN(C)C)c2ccccc2)CCC[N@H+]1C ZINC000345401827 289057361 /nfs/dbraw/zinc/05/73/61/289057361.db2.gz BQKUNVJUXWPBKW-DJIMGWMZSA-N 1 3 318.465 2.071 20 0 DEADHO C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CCN(C2CCCCC2)CC1 ZINC000423716967 289190291 /nfs/dbraw/zinc/19/02/91/289190291.db2.gz YUCAVLCBZKJZGT-FUHWJXTLSA-N 1 3 307.482 2.371 20 0 DEADHO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420323153 289247885 /nfs/dbraw/zinc/24/78/85/289247885.db2.gz FTRTZHKYNGARGI-ZACQAIPSSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)N1[C@H](C)CC[C@@H]1C ZINC000247084101 289299640 /nfs/dbraw/zinc/29/96/40/289299640.db2.gz WWIXJKVDNQNWPS-BPKGMFCQSA-N 1 3 307.482 2.190 20 0 DEADHO C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)N1[C@H](C)CC[C@@H]1C ZINC000247084101 289299644 /nfs/dbraw/zinc/29/96/44/289299644.db2.gz WWIXJKVDNQNWPS-BPKGMFCQSA-N 1 3 307.482 2.190 20 0 DEADHO C[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)N1CCCCCC1 ZINC000155200878 289304390 /nfs/dbraw/zinc/30/43/90/289304390.db2.gz FYKSPJWSYHOFNO-ZACQAIPSSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)N1CCCCCC1 ZINC000155200878 289304391 /nfs/dbraw/zinc/30/43/91/289304391.db2.gz FYKSPJWSYHOFNO-ZACQAIPSSA-N 1 3 307.482 2.194 20 0 DEADHO CN(CCN(C)C1CC1)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000185139778 289354241 /nfs/dbraw/zinc/35/42/41/289354241.db2.gz GMLLQOZXHBDINE-QGZVFWFLSA-N 1 3 324.513 2.233 20 0 DEADHO Clc1cccc2c1CC[C@@H]2N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420348921 294113422 /nfs/dbraw/zinc/11/34/22/294113422.db2.gz NKVGKDQQZOMXCZ-DYVFJYSZSA-N 1 3 305.853 2.307 20 0 DEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000422849946 295250797 /nfs/dbraw/zinc/25/07/97/295250797.db2.gz VHHMRTDDNSKREN-JKSUJKDBSA-N 1 3 311.539 2.455 20 0 DEADHO C[C@H](C(=O)N1CCC(C[NH+](C)C)CC1)[C@H](N)c1ccccc1 ZINC000262141561 298008292 /nfs/dbraw/zinc/00/82/92/298008292.db2.gz MLEKNTSDNVIWOR-YOEHRIQHSA-N 1 3 303.450 2.123 20 0 DEADHO C[C@H](CCCC[NH3+])NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000418184263 298389428 /nfs/dbraw/zinc/38/94/28/298389428.db2.gz PRMMIMKPQYAUOT-BFYDXBDKSA-N 1 3 320.481 2.495 20 0 DEADHO C[C@H]1CN(CC2CC[NH+](CCCn3ccnc3)CC2)C[C@H](C)O1 ZINC000183171309 300252446 /nfs/dbraw/zinc/25/24/46/300252446.db2.gz DTYDNKARYXZMEM-IRXDYDNUSA-N 1 3 320.481 2.094 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H]([NH3+])C1CC1)N(C)C ZINC000418177602 302200872 /nfs/dbraw/zinc/20/08/72/302200872.db2.gz HYJAKHXYQUBVOH-XYPHTWIQSA-N 1 3 318.465 2.023 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H](C)C[NH+](C)C)N(C)C ZINC000357288692 302204978 /nfs/dbraw/zinc/20/49/78/302204978.db2.gz SYRYVECVFQLVAG-ZOBUZTSGSA-N 1 3 320.481 2.236 20 0 DEADHO O=C(C[C@@H]1CCC[NH2+]1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000163624107 303642178 /nfs/dbraw/zinc/64/21/78/303642178.db2.gz CHCFYRIRCLDNKK-KBPBESRZSA-N 1 3 307.463 2.143 20 0 DEADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000573850415 326098680 /nfs/dbraw/zinc/09/86/80/326098680.db2.gz LEDZRHFVGMGFPW-KURKYZTESA-N 1 3 315.461 2.094 20 0 DEADHO CN(CCC[NH3+])C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000574059668 326119637 /nfs/dbraw/zinc/11/96/37/326119637.db2.gz PEXTVJOPHZLLKN-UKRRQHHQSA-N 1 3 324.494 2.121 20 0 DEADHO C[C@@H]1C[C@H](NCc2ccncc2OCCC[NH+](C)C)C[C@H](C)O1 ZINC000576074122 326267633 /nfs/dbraw/zinc/26/76/33/326267633.db2.gz QHDCNYMYIVJNDB-QLPKVWCKSA-N 1 3 321.465 2.458 20 0 DEADHO COc1cccc([C@H](CNC(=O)CCCC[NH3+])N2CCCC2)c1 ZINC000576513752 326298845 /nfs/dbraw/zinc/29/88/45/326298845.db2.gz QUITWGQXDJKIHX-KRWDZBQOSA-N 1 3 319.449 2.077 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000584288471 332215484 /nfs/dbraw/zinc/21/54/84/332215484.db2.gz OLYICKBZESKTRW-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO COC[C@H](C)C[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000187427128 332968767 /nfs/dbraw/zinc/96/87/67/332968767.db2.gz LPQNRFVYUARPKN-IKGGRYGDSA-N 1 3 312.498 2.480 20 0 DEADHO CCc1noc(-c2ccc(CCN[C@@H]3CCC[C@@H]3[NH3+])cc2)n1 ZINC000582839687 337207535 /nfs/dbraw/zinc/20/75/35/337207535.db2.gz IBPMSVIBYYOPHN-LSDHHAIUSA-N 1 3 300.406 2.311 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000582903790 337213472 /nfs/dbraw/zinc/21/34/72/337213472.db2.gz PEMGNRWSFUHHBH-LSDHHAIUSA-N 1 3 312.502 2.266 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CCCC[NH3+] ZINC000398178711 337308037 /nfs/dbraw/zinc/30/80/37/337308037.db2.gz WINOQXAMYXEUSG-DOTOQJQBSA-N 1 3 303.450 2.142 20 0 DEADHO CC(C)[C@H](C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)[C@@H](C)[NH3+] ZINC000399356975 337315739 /nfs/dbraw/zinc/31/57/39/337315739.db2.gz GAISLXMBNQJJKK-NJAFHUGGSA-N 1 3 317.477 2.339 20 0 DEADHO O=C(CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)Nc1ccccn1 ZINC000584404621 337319905 /nfs/dbraw/zinc/31/99/05/337319905.db2.gz BVEDKIJYKPLIPI-HRCADAONSA-N 1 3 316.449 2.311 20 0 DEADHO CC(C)[NH2+]CCCNC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000577487008 341911989 /nfs/dbraw/zinc/91/19/89/341911989.db2.gz UVHYXRKPJRCYLK-QGZVFWFLSA-N 1 3 320.481 2.497 20 0 DEADHO Fc1cccc(C2CCN(CCN3CC[NH2+]CC3)CC2)c1F ZINC000577953454 341957746 /nfs/dbraw/zinc/95/77/46/341957746.db2.gz VEZUEKHXOJQFGG-UHFFFAOYSA-N 1 3 309.404 2.049 20 0 DEADHO CCCN(C)CC(=O)N1CCC(C)([NH2+]C/C=C/Cl)CC1 ZINC001377298892 1160164655 /nfs/dbraw/zinc/16/46/55/1160164655.db2.gz ALVAHDXEKVKWQG-VMPITWQZSA-N 1 3 301.862 2.051 20 0 DEADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C[NH2+]CC1CCCC1 ZINC001378606061 1152392210 /nfs/dbraw/zinc/39/22/10/1152392210.db2.gz OEHOIGFTKMYVKE-OAHLLOKOSA-N 1 3 311.514 2.496 20 0 DEADHO Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCN2C)cs1 ZINC001378748783 1152433887 /nfs/dbraw/zinc/43/38/87/1152433887.db2.gz DSFXCBJNNDJJFG-DOMZBBRYSA-N 1 3 309.479 2.087 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@H+](CC1CCCCC1)C1CC1 ZINC001400056575 1161643535 /nfs/dbraw/zinc/64/35/35/1161643535.db2.gz NKDWSNLFKLNFOY-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@@H+](CC1CCCCC1)C1CC1 ZINC001400056575 1161643539 /nfs/dbraw/zinc/64/35/39/1161643539.db2.gz NKDWSNLFKLNFOY-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)N[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000417700365 533783499 /nfs/dbraw/zinc/78/34/99/533783499.db2.gz IRJHFCDIKSLKQB-HOCLYGCPSA-N 1 3 318.465 2.167 20 0 DEADHO C[C@H]([NH2+]CC1(N(C)C)CC1)c1cccc(OCCN(C)C)c1 ZINC000417351414 533834221 /nfs/dbraw/zinc/83/42/21/533834221.db2.gz CMMUUOCLASKVLW-HNNXBMFYSA-N 1 3 305.466 2.372 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N(CCC[NH3+])CC2CCCC2)CCN1C ZINC000417749775 533919709 /nfs/dbraw/zinc/91/97/09/533919709.db2.gz JRUWDDBAIOFICJ-GDBMZVCRSA-N 1 3 310.486 2.020 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@@H]2C(CNC(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001330308542 1149089625 /nfs/dbraw/zinc/08/96/25/1149089625.db2.gz ICZGYFAQONZBBU-SNBXVQODSA-N 1 3 321.509 2.223 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@@H]2C(CNC(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001330308542 1149089632 /nfs/dbraw/zinc/08/96/32/1149089632.db2.gz ICZGYFAQONZBBU-SNBXVQODSA-N 1 3 321.509 2.223 20 0 DEADHO Cc1c([C@H](C)N[C@@H]2CC[C@@H](C[NH3+])C2)nnn1-c1ccc(F)cc1 ZINC000423490243 533955516 /nfs/dbraw/zinc/95/55/16/533955516.db2.gz HOFNLHPNORHYBU-NJZAAPMLSA-N 1 3 317.412 2.493 20 0 DEADHO COc1ccccc1N1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422847847 534136940 /nfs/dbraw/zinc/13/69/40/534136940.db2.gz JBJBTENXKBTTHT-PMRDEQMMSA-N 1 3 315.461 2.394 20 0 DEADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@](C)(CO)c1ccccc1 ZINC000423099020 534179178 /nfs/dbraw/zinc/17/91/78/534179178.db2.gz AATPAXSSMNYMRA-DBVUQKKJSA-N 1 3 312.457 2.485 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2F)C1)N(C)C ZINC001378854662 1152468608 /nfs/dbraw/zinc/46/86/08/1152468608.db2.gz XJCHTHKRPGQIGY-QRTARXTBSA-N 1 3 321.440 2.150 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[N@@H+](C)CCc1ccccc1)N(C)C ZINC001401767401 1162117782 /nfs/dbraw/zinc/11/77/82/1162117782.db2.gz VNDYTYYWAYJNGL-NVXWUHKLSA-N 1 3 305.466 2.006 20 0 DEADHO CC[NH+](CC)C[C@H](C)NC(=O)NCCN(C)Cc1ccccc1 ZINC000338481900 520729380 /nfs/dbraw/zinc/72/93/80/520729380.db2.gz IYUGVTRLFXTLDD-INIZCTEOSA-N 1 3 320.481 2.148 20 0 DEADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H]1C1CC1)c1ccccc1 ZINC000364278657 522071589 /nfs/dbraw/zinc/07/15/89/522071589.db2.gz JVGNBTLDWOIPII-QZTJIDSGSA-N 1 3 315.461 2.280 20 0 DEADHO CN(C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H]1C1CC1)c1ccccc1 ZINC000364278657 522071594 /nfs/dbraw/zinc/07/15/94/522071594.db2.gz JVGNBTLDWOIPII-QZTJIDSGSA-N 1 3 315.461 2.280 20 0 DEADHO [NH3+]C[C@H]1CCCN(C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000428525124 534689261 /nfs/dbraw/zinc/68/92/61/534689261.db2.gz YMYGUJSTPKLKCL-QGZVFWFLSA-N 1 3 315.461 2.096 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)NCCC3(C)CC3)CC2)CC1 ZINC000365098148 523768086 /nfs/dbraw/zinc/76/80/86/523768086.db2.gz IDNOUJVCGYNGOM-UHFFFAOYSA-N 1 3 322.497 2.034 20 0 DEADHO CC[C@H](C(=O)NCC1(C)CC[NH+](CC[C@H](C)F)CC1)N(C)C ZINC001402185755 1162279221 /nfs/dbraw/zinc/27/92/21/1162279221.db2.gz HVZRYRCENUXUBP-LSDHHAIUSA-N 1 3 315.477 2.293 20 0 DEADHO C[C@@H](CNC(=O)NCCCC[NH+]1CCC(C)CC1)N(C)C1CC1 ZINC000105133828 524675568 /nfs/dbraw/zinc/67/55/68/524675568.db2.gz HJACGEVGHBKBKJ-INIZCTEOSA-N 1 3 324.513 2.280 20 0 DEADHO Cc1ccc(-c2ncc(CNCCOCC[NH+](C)C)s2)o1 ZINC000354195486 525830875 /nfs/dbraw/zinc/83/08/75/525830875.db2.gz SLZYAYWXCAGGOJ-UHFFFAOYSA-N 1 3 309.435 2.379 20 0 DEADHO CC(C)OC1CC(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000189547072 527878718 /nfs/dbraw/zinc/87/87/18/527878718.db2.gz UTDYYPCNSWMNCY-OPQOLIRYSA-N 1 3 310.482 2.300 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N[C@H](C)CC[NH3+])c1ccsc1 ZINC000416998702 528240712 /nfs/dbraw/zinc/24/07/12/528240712.db2.gz BIRSTQYGXYLMBB-OCCSQVGLSA-N 1 3 312.483 2.168 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)NC1CC1)c1ccccc1 ZINC000294831332 528243489 /nfs/dbraw/zinc/24/34/89/528243489.db2.gz SGZSEDORPRCFNE-PBHICJAKSA-N 1 3 303.450 2.326 20 0 DEADHO CCOc1ccc(C2(CN[C@@H](C)C3C[NH2+]C3)CCOCC2)cc1 ZINC000422881945 528412495 /nfs/dbraw/zinc/41/24/95/528412495.db2.gz RIAJALSWLHAFOH-HNNXBMFYSA-N 1 3 318.461 2.331 20 0 DEADHO CCOc1ccc(C2(C[NH2+][C@@H](C)C3CNC3)CCOCC2)cc1 ZINC000422881945 528412501 /nfs/dbraw/zinc/41/25/01/528412501.db2.gz RIAJALSWLHAFOH-HNNXBMFYSA-N 1 3 318.461 2.331 20 0 DEADHO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000417578017 528510317 /nfs/dbraw/zinc/51/03/17/528510317.db2.gz KGYYMHBRVPSTFG-NVXWUHKLSA-N 1 3 320.481 2.180 20 0 DEADHO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000418343345 528510676 /nfs/dbraw/zinc/51/06/76/528510676.db2.gz FPLDAWGQAHLNAO-IAGOWNOFSA-N 1 3 320.481 2.482 20 0 DEADHO CCC[NH2+][C@@H](C)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000294921996 528538262 /nfs/dbraw/zinc/53/82/62/528538262.db2.gz CSZDUHTUQNIZBK-AWEZNQCLSA-N 1 3 323.506 2.464 20 0 DEADHO CC(C)N1CCCN(C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000418445535 529006479 /nfs/dbraw/zinc/00/64/79/529006479.db2.gz NKBABSPMSKDKJY-UHFFFAOYSA-N 1 3 324.513 2.425 20 0 DEADHO CC(C)N1CC[C@H](N(C)C(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000418386875 529076311 /nfs/dbraw/zinc/07/63/11/529076311.db2.gz QRSXUUGSDMDUOJ-JKSUJKDBSA-N 1 3 310.486 2.018 20 0 DEADHO CC1(C)C[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)CO1 ZINC000417967265 529139700 /nfs/dbraw/zinc/13/97/00/529139700.db2.gz UZZAGDYRINHOAP-QGZVFWFLSA-N 1 3 318.461 2.300 20 0 DEADHO CCN1CCN(CCCC[NH2+][C@H](C)C2(OC)CCCC2)CC1 ZINC000421822486 529143696 /nfs/dbraw/zinc/14/36/96/529143696.db2.gz XGVLERTVSQQZJX-QGZVFWFLSA-N 1 3 311.514 2.341 20 0 DEADHO CCN1CCN(Cc2ccc(N[C@@H](C)[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000422916025 529149473 /nfs/dbraw/zinc/14/94/73/529149473.db2.gz CENLWFYMOMJZBW-QFBILLFUSA-N 1 3 316.493 2.377 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@@](C)(C[NH3+])C1)c1ccco1 ZINC000418169450 529182696 /nfs/dbraw/zinc/18/26/96/529182696.db2.gz PWYSVQASQAZBJA-VBQJREDUSA-N 1 3 322.453 2.089 20 0 DEADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NCCN1CCCC(C)(C)C1 ZINC000445026244 529342670 /nfs/dbraw/zinc/34/26/70/529342670.db2.gz YAZOJBANTPWFMN-OAHLLOKOSA-N 1 3 312.502 2.138 20 0 DEADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCCN1CCCC(C)(C)C1 ZINC000445026244 529342672 /nfs/dbraw/zinc/34/26/72/529342672.db2.gz YAZOJBANTPWFMN-OAHLLOKOSA-N 1 3 312.502 2.138 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000357877229 535252785 /nfs/dbraw/zinc/25/27/85/535252785.db2.gz UPKUMLWMGYNDME-MAUKXSAKSA-N 1 3 305.466 2.444 20 0 DEADHO CC[NH+](CC)CCCC1CCN(C(=O)/C=C/CN(C)C)CC1 ZINC000492533024 535498128 /nfs/dbraw/zinc/49/81/28/535498128.db2.gz LESSUNQUJDSZAR-CSKARUKUSA-N 1 3 309.498 2.465 20 0 DEADHO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000348371122 535823611 /nfs/dbraw/zinc/82/36/11/535823611.db2.gz FEAIVLYIVJQAQI-SQNIBIBYSA-N 1 3 317.477 2.054 20 0 DEADHO CCc1nsc(N2CCCN(CCC3CC[NH2+]CC3)CC2)n1 ZINC000359226420 535909765 /nfs/dbraw/zinc/90/97/65/535909765.db2.gz UWKBGSUYBPMYRD-UHFFFAOYSA-N 1 3 323.510 2.002 20 0 DEADHO CC[C@H](C)[C@@H]1CCCCN1CC(=O)NC1CC[NH+](CC)CC1 ZINC000362482459 535914454 /nfs/dbraw/zinc/91/44/54/535914454.db2.gz DQEQKSFXJXIKLK-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@]1(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC[NH2+]C1 ZINC000377537256 536026649 /nfs/dbraw/zinc/02/66/49/536026649.db2.gz IGGBSOGMVNWYMC-CQSZACIVSA-N 1 3 315.339 2.492 20 0 DEADHO CNC(=O)c1ccc(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)cc1 ZINC000372301183 536423989 /nfs/dbraw/zinc/42/39/89/536423989.db2.gz HPEDFMDOXOQIKV-GOSISDBHSA-N 1 3 315.461 2.210 20 0 DEADHO CNC(=O)c1ccc(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)cc1 ZINC000372301183 536423990 /nfs/dbraw/zinc/42/39/90/536423990.db2.gz HPEDFMDOXOQIKV-GOSISDBHSA-N 1 3 315.461 2.210 20 0 DEADHO COC1(C[NH2+]Cc2ccccc2CN2CC[C@H](O)C2)CCCC1 ZINC000359679374 536680876 /nfs/dbraw/zinc/68/08/76/536680876.db2.gz XPVORSYSAIEBFF-SFHVURJKSA-N 1 3 318.461 2.302 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]([NH2+]Cc1cccc(F)c1)C(C)C)N(C)C ZINC001378997132 1152522742 /nfs/dbraw/zinc/52/27/42/1152522742.db2.gz ILYSDMPRXWUKBF-IAGOWNOFSA-N 1 3 323.456 2.396 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]CC1CC(C)(C)C1)C(C)C)N(C)C ZINC001378999728 1152524493 /nfs/dbraw/zinc/52/44/93/1152524493.db2.gz NOAOWOVOJOCRCC-CVEARBPZSA-N 1 3 311.514 2.493 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001425960060 1174538627 /nfs/dbraw/zinc/53/86/27/1174538627.db2.gz QCOPNJZFURCKKX-HOTGVXAUSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)CC[NH2+][C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)CC1(C)C ZINC001425970841 1174545996 /nfs/dbraw/zinc/54/59/96/1174545996.db2.gz KBXUYXLVPOOWJX-JKSUJKDBSA-N 1 3 311.514 2.445 20 0 DEADHO CN(CC[N@H+](C)[C@H]1CCc2ccccc21)C(=O)CN1CCCC1 ZINC001379128507 1152576933 /nfs/dbraw/zinc/57/69/33/1152576933.db2.gz AFPCAQAIFPLYFS-SFHVURJKSA-N 1 3 315.461 2.160 20 0 DEADHO CN(CC[N@@H+](C)[C@H]1CCc2ccccc21)C(=O)CN1CCCC1 ZINC001379128507 1152576935 /nfs/dbraw/zinc/57/69/35/1152576935.db2.gz AFPCAQAIFPLYFS-SFHVURJKSA-N 1 3 315.461 2.160 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC001379321750 1152608313 /nfs/dbraw/zinc/60/83/13/1152608313.db2.gz JENFGNVYVVMYHX-QAPCUYQASA-N 1 3 317.477 2.451 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)C2(N(C)C)CCC2)cc1C ZINC001379384180 1152617768 /nfs/dbraw/zinc/61/77/68/1152617768.db2.gz SZPFACNZADRBKW-MRXNPFEDSA-N 1 3 317.477 2.382 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001379413591 1152620725 /nfs/dbraw/zinc/62/07/25/1152620725.db2.gz AKCLANNJZHMTLY-CJNGLKHVSA-N 1 3 309.429 2.069 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(F)cc1 ZINC001379462495 1152628061 /nfs/dbraw/zinc/62/80/61/1152628061.db2.gz ATLHKQYNTWSWPZ-PBHICJAKSA-N 1 3 321.440 2.294 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CC2)CC(C)(C)C1)N(C)C ZINC001368827491 1148694053 /nfs/dbraw/zinc/69/40/53/1148694053.db2.gz PFVHBWBFJJBEIV-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1)N(C)C ZINC001368827491 1148694055 /nfs/dbraw/zinc/69/40/55/1148694055.db2.gz PFVHBWBFJJBEIV-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccccc1 ZINC001368816756 1148687018 /nfs/dbraw/zinc/68/70/18/1148687018.db2.gz QKJXWXJJMRHPNN-GOSISDBHSA-N 1 3 317.477 2.451 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccccc1 ZINC001368816756 1148687023 /nfs/dbraw/zinc/68/70/23/1148687023.db2.gz QKJXWXJJMRHPNN-GOSISDBHSA-N 1 3 317.477 2.451 20 0 DEADHO C[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)[N@H+](C)CCCF ZINC001381585491 1153140047 /nfs/dbraw/zinc/14/00/47/1153140047.db2.gz DLENJDXUIQYCHV-HUUCEWRRSA-N 1 3 301.450 2.047 20 0 DEADHO C[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)[N@@H+](C)CCCF ZINC001381585491 1153140054 /nfs/dbraw/zinc/14/00/54/1153140054.db2.gz DLENJDXUIQYCHV-HUUCEWRRSA-N 1 3 301.450 2.047 20 0 DEADHO CC(C)CC[C@H](CO)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001363651338 1153528110 /nfs/dbraw/zinc/52/81/10/1153528110.db2.gz KNUPQHKIMIRWAV-LXPRWKDFSA-N 1 3 312.498 2.407 20 0 DEADHO COc1ccc2nccc(N3CC[N@H+](C[C@@H](C)O)C[C@H]3C)c2c1 ZINC000893258363 625323232 /nfs/dbraw/zinc/32/32/32/625323232.db2.gz FWLXJOXCHILJBJ-ZIAGYGMSSA-N 1 3 315.417 2.135 20 0 DEADHO COc1ccc2nccc(N3CC[N@@H+](C[C@@H](C)O)C[C@H]3C)c2c1 ZINC000893258363 625323234 /nfs/dbraw/zinc/32/32/34/625323234.db2.gz FWLXJOXCHILJBJ-ZIAGYGMSSA-N 1 3 315.417 2.135 20 0 DEADHO [NH3+][C@@H]1C[C@@H](N[C@@H]2CCN(c3ccc(F)cc3F)C2)C12CCC2 ZINC000925559389 625364946 /nfs/dbraw/zinc/36/49/46/625364946.db2.gz XUWVEKOPFGMCPS-DAXOMENPSA-N 1 3 307.388 2.403 20 0 DEADHO CC1CC(C[NH2+]C[C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001024018727 625545675 /nfs/dbraw/zinc/54/56/75/625545675.db2.gz RWZFWAYFBLOYTR-CGZBRXJRSA-N 1 3 321.509 2.345 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@H](C[NH2+]CC2CCCC2)C1)C1CC1 ZINC001024018768 625546375 /nfs/dbraw/zinc/54/63/75/625546375.db2.gz SKHHGPAHOKMXFR-AEFFLSMTSA-N 1 3 321.509 2.345 20 0 DEADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC000969846364 622949406 /nfs/dbraw/zinc/94/94/06/622949406.db2.gz UCPCGNVIVYBMBK-QZTJIDSGSA-N 1 3 317.477 2.272 20 0 DEADHO CCc1cccc(C[NH2+][C@@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)c1 ZINC000969991144 623042466 /nfs/dbraw/zinc/04/24/66/623042466.db2.gz FGAMTOFGDQZBGR-MSOLQXFVSA-N 1 3 317.477 2.280 20 0 DEADHO C[C@H](N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)c1ccccc1F ZINC001021045247 623309622 /nfs/dbraw/zinc/30/96/22/623309622.db2.gz YMKMRZOCQRXOEA-XGUBFFRZSA-N 1 3 319.424 2.075 20 0 DEADHO C[C@H](N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1ccccc1F ZINC001021045247 623309627 /nfs/dbraw/zinc/30/96/27/623309627.db2.gz YMKMRZOCQRXOEA-XGUBFFRZSA-N 1 3 319.424 2.075 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]CC2CCCC2)C1)N(C)C ZINC001024162749 625645292 /nfs/dbraw/zinc/64/52/92/625645292.db2.gz ZNHYKBHQKBZDQS-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001021274208 623461940 /nfs/dbraw/zinc/46/19/40/623461940.db2.gz MTFAEPCNMNSULH-HQSKLWIPSA-N 1 3 319.493 2.382 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001021274208 623461941 /nfs/dbraw/zinc/46/19/41/623461941.db2.gz MTFAEPCNMNSULH-HQSKLWIPSA-N 1 3 319.493 2.382 20 0 DEADHO C[C@H](NC(=O)c1ccccc1CN(C)C)C1C[NH+](CCCF)C1 ZINC000970928878 623797303 /nfs/dbraw/zinc/79/73/03/623797303.db2.gz NJWLQTIXFABEET-AWEZNQCLSA-N 1 3 321.440 2.158 20 0 DEADHO Cc1cc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cs1 ZINC001026734477 625703881 /nfs/dbraw/zinc/70/38/81/625703881.db2.gz OCTPCJOURQMKEG-GDBMZVCRSA-N 1 3 321.490 2.089 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001022715172 624868102 /nfs/dbraw/zinc/86/81/02/624868102.db2.gz DJGZDWBQZRISHN-BHYGNILZSA-N 1 3 305.466 2.065 20 0 DEADHO CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972334200 624932520 /nfs/dbraw/zinc/93/25/20/624932520.db2.gz FUJPEHGLAKKBKQ-PBHICJAKSA-N 1 3 313.461 2.142 20 0 DEADHO CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972334200 624932521 /nfs/dbraw/zinc/93/25/21/624932521.db2.gz FUJPEHGLAKKBKQ-PBHICJAKSA-N 1 3 313.461 2.142 20 0 DEADHO CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972335340 624932929 /nfs/dbraw/zinc/93/29/29/624932929.db2.gz OOPNLMBIGVWNSZ-YOEHRIQHSA-N 1 3 313.461 2.140 20 0 DEADHO CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972335340 624932931 /nfs/dbraw/zinc/93/29/31/624932931.db2.gz OOPNLMBIGVWNSZ-YOEHRIQHSA-N 1 3 313.461 2.140 20 0 DEADHO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972335330 624933110 /nfs/dbraw/zinc/93/31/10/624933110.db2.gz OOPNLMBIGVWNSZ-PBHICJAKSA-N 1 3 313.461 2.140 20 0 DEADHO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972335330 624933113 /nfs/dbraw/zinc/93/31/13/624933113.db2.gz OOPNLMBIGVWNSZ-PBHICJAKSA-N 1 3 313.461 2.140 20 0 DEADHO CN(Cc1ccsc1)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001027680402 634432494 /nfs/dbraw/zinc/43/24/94/634432494.db2.gz DXEZCPRXHNLLAA-CVEARBPZSA-N 1 3 321.490 2.123 20 0 DEADHO CN(Cc1ccsc1)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027680402 634432498 /nfs/dbraw/zinc/43/24/98/634432498.db2.gz DXEZCPRXHNLLAA-CVEARBPZSA-N 1 3 321.490 2.123 20 0 DEADHO CC(C)CN1CCC([NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000892531976 625108336 /nfs/dbraw/zinc/10/83/36/625108336.db2.gz GNHHCDDXXCMIGW-JKSUJKDBSA-N 1 3 314.445 2.330 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC1 ZINC001024962442 625120746 /nfs/dbraw/zinc/12/07/46/625120746.db2.gz PSOSVTRRRIXRNN-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO CN(C)[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CCC1)C1CC1 ZINC001024984140 625127581 /nfs/dbraw/zinc/12/75/81/625127581.db2.gz DIEFILBJXFJLPY-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCCCCC1 ZINC001026088677 625130778 /nfs/dbraw/zinc/13/07/78/625130778.db2.gz NHZFQYUUNMPAEU-WKULXVSPSA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCCCCC1 ZINC001026088677 625130784 /nfs/dbraw/zinc/13/07/84/625130784.db2.gz NHZFQYUUNMPAEU-WKULXVSPSA-N 1 3 321.509 2.343 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001023025011 625138873 /nfs/dbraw/zinc/13/88/73/625138873.db2.gz RAKVWTGDEQIXLJ-GASCZTMLSA-N 1 3 316.449 2.078 20 0 DEADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCCOCC1CCOCC1 ZINC000925511843 625145556 /nfs/dbraw/zinc/14/55/56/625145556.db2.gz VJGVWIOAKFRIOX-IKGGRYGDSA-N 1 3 310.482 2.186 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001023125826 625163900 /nfs/dbraw/zinc/16/39/00/625163900.db2.gz YUKYATLOWQZPDU-AHCXZYCDSA-N 1 3 315.461 2.296 20 0 DEADHO CN(C)CCN(C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCC1 ZINC000892597585 625180479 /nfs/dbraw/zinc/18/04/79/625180479.db2.gz FSHHZFSYLBUBES-MUJYYYPQSA-N 1 3 322.497 2.033 20 0 DEADHO CN(C)CCN(C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)C1CCCC1 ZINC000892496269 625896555 /nfs/dbraw/zinc/89/65/55/625896555.db2.gz XIZAQZRBDKBFFQ-OAHLLOKOSA-N 1 3 324.513 2.280 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]([NH2+]CC2CCCC2)C1)C1CCC1 ZINC000999363093 634575471 /nfs/dbraw/zinc/57/54/71/634575471.db2.gz FRNBGLBGSFNQDV-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CC2CC(C)(C)C2)C1)C1CC1 ZINC000999367068 634576976 /nfs/dbraw/zinc/57/69/76/634576976.db2.gz DOAVTQYFFMRMEL-IRXDYDNUSA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC000999488904 634618830 /nfs/dbraw/zinc/61/88/30/634618830.db2.gz HMDSNJZMVOGYDI-DLBZAZTESA-N 1 3 321.440 2.247 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CC3CCCC3)C2)C1 ZINC001000189207 634783534 /nfs/dbraw/zinc/78/35/34/634783534.db2.gz DESIZRNQGVKEOT-WBVHZDCISA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]Cc3ccsc3)C2)C1 ZINC001000203062 634788630 /nfs/dbraw/zinc/78/86/30/634788630.db2.gz VFKAFWKOGMLNMA-GDBMZVCRSA-N 1 3 321.490 2.171 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001000202084 634788692 /nfs/dbraw/zinc/78/86/92/634788692.db2.gz TURHQSSITGXDHS-DOTOQJQBSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCc2cccs2)C1)N(C)C ZINC001000229753 634805218 /nfs/dbraw/zinc/80/52/18/634805218.db2.gz XKGDLKBPDMNGLG-ZBFHGGJFSA-N 1 3 323.506 2.211 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCc2cccs2)C1)N(C)C ZINC001000229750 634805446 /nfs/dbraw/zinc/80/54/46/634805446.db2.gz XKGDLKBPDMNGLG-HOCLYGCPSA-N 1 3 323.506 2.211 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+]CC3CCCCC3)C2)CCC1 ZINC001026885827 633241128 /nfs/dbraw/zinc/24/11/28/633241128.db2.gz NACHCQCCAVHDOX-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C)cc2)C1)N(C)C ZINC001027069329 633384136 /nfs/dbraw/zinc/38/41/36/633384136.db2.gz QMIJPCRAEWHDCZ-ROUUACIJSA-N 1 3 317.477 2.273 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001027062924 633384536 /nfs/dbraw/zinc/38/45/36/633384536.db2.gz FGWPKWFRCCBDIX-CVEARBPZSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]CC3CCCCC3)C2)C1 ZINC001027064902 633386285 /nfs/dbraw/zinc/38/62/85/633386285.db2.gz MMRQBABMAGGWNE-WMZOPIPTSA-N 1 3 321.509 2.347 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001027069734 633418751 /nfs/dbraw/zinc/41/87/51/633418751.db2.gz AHAXKUMYDZBWRO-RDJZCZTQSA-N 1 3 321.440 2.104 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC000997041371 633563206 /nfs/dbraw/zinc/56/32/06/633563206.db2.gz JMZOPJQFJZGFKS-UHFFFAOYSA-N 1 3 316.449 2.423 20 0 DEADHO CCC[NH2+]C1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000997356386 633712876 /nfs/dbraw/zinc/71/28/76/633712876.db2.gz KFRVBABGYBSBLV-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO CC(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001027407181 633744755 /nfs/dbraw/zinc/74/47/55/633744755.db2.gz BBRVSNARCQYIGM-SJORKVTESA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001027407181 633744758 /nfs/dbraw/zinc/74/47/58/633744758.db2.gz BBRVSNARCQYIGM-SJORKVTESA-N 1 3 309.498 2.438 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC(C[NH2+]CC3CCCC3)CC2)C1 ZINC000998081300 634134557 /nfs/dbraw/zinc/13/45/57/634134557.db2.gz IREJHVJIPVGYTO-INIZCTEOSA-N 1 3 321.509 2.347 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCC2CC2)C1 ZINC000980486590 635017480 /nfs/dbraw/zinc/01/74/80/635017480.db2.gz USHPTIAMLAPZGE-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCC2CC2)C1 ZINC000980486590 635017481 /nfs/dbraw/zinc/01/74/81/635017481.db2.gz USHPTIAMLAPZGE-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1C[C@H](C[NH2+]CC2CCCC2)CN1C(=O)CN(C)C1CCC1 ZINC000980607591 635060544 /nfs/dbraw/zinc/06/05/44/635060544.db2.gz RYPXBMSDRDLGGO-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](NCCF)C1)[NH+]1CCCCC1 ZINC001001009779 635378423 /nfs/dbraw/zinc/37/84/23/635378423.db2.gz QPJMEDAVCWUVRJ-CVEARBPZSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCC1CC[NH+](CC2CCC2)CC1 ZINC001001393295 635475700 /nfs/dbraw/zinc/47/57/00/635475700.db2.gz NTWFVUVMHNHPEI-SFHVURJKSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCC1CC[NH+](CC(C)C)CC1 ZINC001001464348 635500770 /nfs/dbraw/zinc/50/07/70/635500770.db2.gz WIWVMFFIALAEFL-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC1CC[NH+](CC2CC(C)C2)CC1 ZINC001002793684 635799227 /nfs/dbraw/zinc/79/92/27/635799227.db2.gz ZOUYAPWXQOIZQN-HTWSVDAQSA-N 1 3 321.509 2.486 20 0 DEADHO CCCC[N@@H+]1CCCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000982012400 635809847 /nfs/dbraw/zinc/80/98/47/635809847.db2.gz WFVAIGWANNANJI-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO CCCC[N@H+]1CCCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000982012400 635809851 /nfs/dbraw/zinc/80/98/51/635809851.db2.gz WFVAIGWANNANJI-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000261539037 635886307 /nfs/dbraw/zinc/88/63/07/635886307.db2.gz BKRACTRHMPRPSU-BFYDXBDKSA-N 1 3 303.450 2.011 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@]2(C)C[N@H+](CC)C[C@]2(C)C1 ZINC000982292253 635950445 /nfs/dbraw/zinc/95/04/45/635950445.db2.gz CPNMZFISIXFWHJ-NXHRZFHOSA-N 1 3 307.482 2.051 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@]2(C)C[N@@H+](CC)C[C@]2(C)C1 ZINC000982292253 635950448 /nfs/dbraw/zinc/95/04/48/635950448.db2.gz CPNMZFISIXFWHJ-NXHRZFHOSA-N 1 3 307.482 2.051 20 0 DEADHO CN(CC(=O)N1C[C@]2(C)C[N@H+](CC3CC3)C[C@]2(C)C1)C1CCC1 ZINC000982297902 635955027 /nfs/dbraw/zinc/95/50/27/635955027.db2.gz SHDFMIPPDXBKLI-KDURUIRLSA-N 1 3 319.493 2.051 20 0 DEADHO CN(CC(=O)N1C[C@]2(C)C[N@@H+](CC3CC3)C[C@]2(C)C1)C1CCC1 ZINC000982297902 635955028 /nfs/dbraw/zinc/95/50/28/635955028.db2.gz SHDFMIPPDXBKLI-KDURUIRLSA-N 1 3 319.493 2.051 20 0 DEADHO CC(C)(C(=O)NC1CC[NH+](CCC2CC2)CC1)N1CCCC1 ZINC001003424980 635965875 /nfs/dbraw/zinc/96/58/75/635965875.db2.gz XYTZFYJEVOYDJM-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1ccnc(N)c1C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000894096118 636111544 /nfs/dbraw/zinc/11/15/44/636111544.db2.gz UEUDRXGRMABNBD-WMLDXEAASA-N 1 3 300.450 2.421 20 0 DEADHO Cc1ccnc(N)c1C[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000894096118 636111545 /nfs/dbraw/zinc/11/15/45/636111545.db2.gz UEUDRXGRMABNBD-WMLDXEAASA-N 1 3 300.450 2.421 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CCC[N@@H+]1CCCF ZINC001028333404 636133682 /nfs/dbraw/zinc/13/36/82/636133682.db2.gz JSSTTYJMNDFADI-MRXNPFEDSA-N 1 3 321.440 2.302 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CCC[N@H+]1CCCF ZINC001028333404 636133683 /nfs/dbraw/zinc/13/36/83/636133683.db2.gz JSSTTYJMNDFADI-MRXNPFEDSA-N 1 3 321.440 2.302 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cccnc3)C2)[C@H]1C(C)C ZINC000922392610 636154492 /nfs/dbraw/zinc/15/44/92/636154492.db2.gz MQEIRSFFIKNFAP-BRSBDYLESA-N 1 3 303.450 2.041 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cccnc3)C2)[C@H]1C(C)C ZINC000922392610 636154495 /nfs/dbraw/zinc/15/44/95/636154495.db2.gz MQEIRSFFIKNFAP-BRSBDYLESA-N 1 3 303.450 2.041 20 0 DEADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3ccc(C)cn3)C2)[C@@H]1C(C)C ZINC000922395667 636156831 /nfs/dbraw/zinc/15/68/31/636156831.db2.gz YGGBOXNHJLJSCK-YRXWBPOGSA-N 1 3 317.477 2.349 20 0 DEADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3ccc(C)cn3)C2)[C@@H]1C(C)C ZINC000922395667 636156833 /nfs/dbraw/zinc/15/68/33/636156833.db2.gz YGGBOXNHJLJSCK-YRXWBPOGSA-N 1 3 317.477 2.349 20 0 DEADHO FC(F)(F)CN1CCC[C@@H]1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000922709802 636340313 /nfs/dbraw/zinc/34/03/13/636340313.db2.gz PCMSSJNTAVUFCQ-BFHYXJOUSA-N 1 3 305.388 2.230 20 0 DEADHO FC(F)(F)CN1CCC[C@@H]1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000922709802 636340319 /nfs/dbraw/zinc/34/03/19/636340319.db2.gz PCMSSJNTAVUFCQ-BFHYXJOUSA-N 1 3 305.388 2.230 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946778977 636646367 /nfs/dbraw/zinc/64/63/67/636646367.db2.gz AQGGZYAADTXHIR-OKZBNKHCSA-N 1 3 321.509 2.299 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946778977 636646371 /nfs/dbraw/zinc/64/63/71/636646371.db2.gz AQGGZYAADTXHIR-OKZBNKHCSA-N 1 3 321.509 2.299 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CC[N@H+](CC2CC2)C1 ZINC001029005152 636947244 /nfs/dbraw/zinc/94/72/44/636947244.db2.gz XQPJDFSWOKIPLU-MRXNPFEDSA-N 1 3 315.461 2.210 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001029005152 636947246 /nfs/dbraw/zinc/94/72/46/636947246.db2.gz XQPJDFSWOKIPLU-MRXNPFEDSA-N 1 3 315.461 2.210 20 0 DEADHO CC(C)=CC[NH+]1CCC(N(C)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001005993143 637049723 /nfs/dbraw/zinc/04/97/23/637049723.db2.gz ZEVBMWLNYNEXNZ-MRXNPFEDSA-N 1 3 307.482 2.217 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)C2CC[NH+](CC3CCCC3)CC2)C1 ZINC001005992995 637049851 /nfs/dbraw/zinc/04/98/51/637049851.db2.gz XCOIYXYOLXTNBV-INIZCTEOSA-N 1 3 321.509 2.441 20 0 DEADHO [NH3+]C[C@@H]1CCCN(C[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000923279470 637079785 /nfs/dbraw/zinc/07/97/85/637079785.db2.gz BOJSCLFSKLEEIT-VDZJLULYSA-N 1 3 318.461 2.112 20 0 DEADHO [NH3+]C[C@@H]1CCCN(C[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000923279471 637080067 /nfs/dbraw/zinc/08/00/67/637080067.db2.gz BOJSCLFSKLEEIT-WDYCEAGBSA-N 1 3 318.461 2.112 20 0 DEADHO CN(C(=O)Cc1c[nH]cn1)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001006066259 637150195 /nfs/dbraw/zinc/15/01/95/637150195.db2.gz PUMVLGXVCKDGTQ-UHFFFAOYSA-N 1 3 318.465 2.311 20 0 DEADHO CCc1onc(C)c1CN1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000923391906 637153380 /nfs/dbraw/zinc/15/33/80/637153380.db2.gz GQWFPWLUQJRTHL-FRFSOERESA-N 1 3 307.438 2.406 20 0 DEADHO C[C@H](N)C[N@H+](C)C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000923409739 637164781 /nfs/dbraw/zinc/16/47/81/637164781.db2.gz RZRBOYJWDGDLIT-VHRBIJSZSA-N 1 3 302.340 2.448 20 0 DEADHO C[C@H](N)C[N@@H+](C)C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000923409739 637164786 /nfs/dbraw/zinc/16/47/86/637164786.db2.gz RZRBOYJWDGDLIT-VHRBIJSZSA-N 1 3 302.340 2.448 20 0 DEADHO CCc1ccc([C@@H](C)NC(=O)CN2CC[C@@H](CC[NH3+])C2)cc1 ZINC000923487184 637201531 /nfs/dbraw/zinc/20/15/31/637201531.db2.gz AMORQIYRTUKOKE-GDBMZVCRSA-N 1 3 303.450 2.097 20 0 DEADHO C[C@@H](NC(=O)[C@H](C)N1CC[C@H](C[NH3+])[C@H](C)C1)c1ccccc1 ZINC000923487768 637201787 /nfs/dbraw/zinc/20/17/87/637201787.db2.gz BLNISIPDVAOYOV-PNBKFKSVSA-N 1 3 303.450 2.169 20 0 DEADHO CC(C)[C@H](NC(=O)CN1CC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000923488006 637202507 /nfs/dbraw/zinc/20/25/07/637202507.db2.gz OWYNJTMJLVPXRZ-QAPCUYQASA-N 1 3 303.450 2.171 20 0 DEADHO C[C@@H]1CN(C[C@H](O)c2ccc(F)cc2Cl)CC[C@H]1C[NH3+] ZINC000923492819 637210815 /nfs/dbraw/zinc/21/08/15/637210815.db2.gz POGZPYWWZDROQI-ZETOZRRWSA-N 1 3 300.805 2.429 20 0 DEADHO C[C@@H]1CN([C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC[C@H]1C[NH3+] ZINC000923501038 637217677 /nfs/dbraw/zinc/21/76/77/637217677.db2.gz YUSDUVIMHULOQY-DVOMOZLQSA-N 1 3 321.852 2.362 20 0 DEADHO CCCCNC(=O)[C@H](C)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923504219 637220173 /nfs/dbraw/zinc/22/01/73/637220173.db2.gz VEILMVVKTZMCMD-HOTGVXAUSA-N 1 3 309.498 2.393 20 0 DEADHO COC(=O)[C@@H]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)[C@H](C)C1 ZINC000923551310 637246031 /nfs/dbraw/zinc/24/60/31/637246031.db2.gz MBERXNXCTBXEAH-CZUORRHYSA-N 1 3 302.418 2.106 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC2CC2)CC1 ZINC001029172916 637291659 /nfs/dbraw/zinc/29/16/59/637291659.db2.gz JUKFPMWYHJKUON-QAPCUYQASA-N 1 3 321.509 2.488 20 0 DEADHO COCOc1ccc(OC)cc1CNCC[C@H]1CCC[N@H+](C)C1 ZINC000839180529 637811438 /nfs/dbraw/zinc/81/14/38/637811438.db2.gz DSBYNDUMDOTEFN-OAHLLOKOSA-N 1 3 322.449 2.499 20 0 DEADHO COCOc1ccc(OC)cc1CNCC[C@H]1CCC[N@@H+](C)C1 ZINC000839180529 637811442 /nfs/dbraw/zinc/81/14/42/637811442.db2.gz DSBYNDUMDOTEFN-OAHLLOKOSA-N 1 3 322.449 2.499 20 0 DEADHO COc1ccc(OC)c([C@@H](O)C[N@H+](C)C[C@@H]2CCCN(C)C2)c1 ZINC000741252596 637957428 /nfs/dbraw/zinc/95/74/28/637957428.db2.gz RHHAXWDNKMXHKO-PBHICJAKSA-N 1 3 322.449 2.011 20 0 DEADHO COc1ccc(OC)c([C@@H](O)C[N@@H+](C)C[C@@H]2CCCN(C)C2)c1 ZINC000741252596 637957431 /nfs/dbraw/zinc/95/74/31/637957431.db2.gz RHHAXWDNKMXHKO-PBHICJAKSA-N 1 3 322.449 2.011 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)N1CCCCC1 ZINC000749206758 638623722 /nfs/dbraw/zinc/62/37/22/638623722.db2.gz BBOWZRPWIGEMOZ-WBVHZDCISA-N 1 3 307.482 2.384 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)N1CCCCC1 ZINC000749206758 638623723 /nfs/dbraw/zinc/62/37/23/638623723.db2.gz BBOWZRPWIGEMOZ-WBVHZDCISA-N 1 3 307.482 2.384 20 0 DEADHO CC1CC(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)C1 ZINC000984800137 638692884 /nfs/dbraw/zinc/69/28/84/638692884.db2.gz OPORAHTYYNUEKL-GLUHHBOGSA-N 1 3 307.482 2.001 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC000984804627 638692967 /nfs/dbraw/zinc/69/29/67/638692967.db2.gz PTLPRMZWUBYCBR-ZOBUZTSGSA-N 1 3 321.509 2.391 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2)C1 ZINC000984798570 638693065 /nfs/dbraw/zinc/69/30/65/638693065.db2.gz AAQFHDGTJWVQMX-KBAYOESNSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC000984804624 638693371 /nfs/dbraw/zinc/69/33/71/638693371.db2.gz PTLPRMZWUBYCBR-BFYDXBDKSA-N 1 3 321.509 2.391 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000985328460 639284405 /nfs/dbraw/zinc/28/44/05/639284405.db2.gz TYYJDIZQYNSHOH-SFHVURJKSA-N 1 3 315.461 2.204 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000985328460 639284408 /nfs/dbraw/zinc/28/44/08/639284408.db2.gz TYYJDIZQYNSHOH-SFHVURJKSA-N 1 3 315.461 2.204 20 0 DEADHO CN1CCN(CC2(C)CC[NH+](CCC(=O)C(C)(C)C)CC2)CC1 ZINC000753766495 639340972 /nfs/dbraw/zinc/34/09/72/639340972.db2.gz SZQRFQCOHQVLFQ-UHFFFAOYSA-N 1 3 323.525 2.341 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](C[N@H+](C)CC2CCC2)C1 ZINC001029842765 639538307 /nfs/dbraw/zinc/53/83/07/639538307.db2.gz WITJPTMYKAZSNH-DOTOQJQBSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](C[N@@H+](C)CC2CCC2)C1 ZINC001029842765 639538311 /nfs/dbraw/zinc/53/83/11/639538311.db2.gz WITJPTMYKAZSNH-DOTOQJQBSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](C[N@H+](C)CC2CCC2)C1 ZINC001029842766 639538434 /nfs/dbraw/zinc/53/84/34/639538434.db2.gz WITJPTMYKAZSNH-NVXWUHKLSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](C[N@@H+](C)CC2CCC2)C1 ZINC001029842766 639538439 /nfs/dbraw/zinc/53/84/39/639538439.db2.gz WITJPTMYKAZSNH-NVXWUHKLSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2)C1)N(C)C ZINC001029843996 639541873 /nfs/dbraw/zinc/54/18/73/639541873.db2.gz ULOPJUUQMCYWLG-ROUUACIJSA-N 1 3 317.477 2.307 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2)C1)N(C)C ZINC001029843996 639541877 /nfs/dbraw/zinc/54/18/77/639541877.db2.gz ULOPJUUQMCYWLG-ROUUACIJSA-N 1 3 317.477 2.307 20 0 DEADHO C[N@H+](CC1=CCCCC1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985674837 639577000 /nfs/dbraw/zinc/57/70/00/639577000.db2.gz KPXKKBVGRAAKSM-UHFFFAOYSA-N 1 3 316.449 2.375 20 0 DEADHO C[N@@H+](CC1=CCCCC1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985674837 639577008 /nfs/dbraw/zinc/57/70/08/639577008.db2.gz KPXKKBVGRAAKSM-UHFFFAOYSA-N 1 3 316.449 2.375 20 0 DEADHO CC1CC(C[N@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000985790129 639637257 /nfs/dbraw/zinc/63/72/57/639637257.db2.gz PYYKYHXCVGGLTN-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO CC1CC(C[N@@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000985790129 639637258 /nfs/dbraw/zinc/63/72/58/639637258.db2.gz PYYKYHXCVGGLTN-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN[C@@H](C)c2ccc(C)s2)CC1 ZINC000839553557 639748635 /nfs/dbraw/zinc/74/86/35/639748635.db2.gz QSTFNSJBZYITGG-ZDUSSCGKSA-N 1 3 309.479 2.308 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC(C[N@H+](C)CC2CC2)CC1)N(C)C ZINC001029972582 639946504 /nfs/dbraw/zinc/94/65/04/639946504.db2.gz PTQPNPWFBDKWPM-KRWDZBQOSA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC(C[N@@H+](C)CC2CC2)CC1)N(C)C ZINC001029972582 639946509 /nfs/dbraw/zinc/94/65/09/639946509.db2.gz PTQPNPWFBDKWPM-KRWDZBQOSA-N 1 3 309.498 2.153 20 0 DEADHO C[C@H]1[C@H]([NH2+]CC2CCC2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986936093 640015862 /nfs/dbraw/zinc/01/58/62/640015862.db2.gz GCTNGNZWXMESNQ-GOEBONIOSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1[C@H]([NH2+]CCC2CC2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986938929 640016495 /nfs/dbraw/zinc/01/64/95/640016495.db2.gz LTVZEEGQHZNWKO-GOEBONIOSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1[C@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987064899 640071169 /nfs/dbraw/zinc/07/11/69/640071169.db2.gz GKUBAZWKJPNAJJ-XJKSGUPXSA-N 1 3 316.449 2.112 20 0 DEADHO CC1CCN(CC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000769001266 641153328 /nfs/dbraw/zinc/15/33/28/641153328.db2.gz MBIOOKOVRHLMHX-UHFFFAOYSA-N 1 3 317.477 2.439 20 0 DEADHO C[NH+](C)Cc1cccc(C(=O)N2CCCN(CCCF)CC2)c1 ZINC000989730220 641209107 /nfs/dbraw/zinc/20/91/07/641209107.db2.gz OUYPGWMTSQICAV-UHFFFAOYSA-N 1 3 321.440 2.256 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)CN1C(=O)CN1CCCC1 ZINC000989799341 641238041 /nfs/dbraw/zinc/23/80/41/641238041.db2.gz LMULYNNKAOHMDQ-DOTOQJQBSA-N 1 3 319.493 2.242 20 0 DEADHO CC1CCC(C[NH2+]C2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000990275652 641429880 /nfs/dbraw/zinc/42/98/80/641429880.db2.gz CPZCLSKDXYLGTJ-HTWSVDAQSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCN[C@H]2CCOC23CCOCC3)C1 ZINC000924683586 641578143 /nfs/dbraw/zinc/57/81/43/641578143.db2.gz GTYSNKKSGUIFGO-ZACQAIPSSA-N 1 3 310.482 2.282 20 0 DEADHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+][C@H]2CCOC23CCOCC3)C1 ZINC000924683586 641578145 /nfs/dbraw/zinc/57/81/45/641578145.db2.gz GTYSNKKSGUIFGO-ZACQAIPSSA-N 1 3 310.482 2.282 20 0 DEADHO C[C@@H]1CN(CC2CC[NH+](C)CC2)C[C@H](C)N1CC(F)(F)F ZINC000898469880 641671104 /nfs/dbraw/zinc/67/11/04/641671104.db2.gz FHYYIWBYEPZKOB-BETUJISGSA-N 1 3 307.404 2.285 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CCC(C)CC1 ZINC000900404825 642358556 /nfs/dbraw/zinc/35/85/56/642358556.db2.gz AAQSJYXXFFEIPX-IKGGRYGDSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)N1CCC(C)CC1 ZINC000900404825 642358559 /nfs/dbraw/zinc/35/85/59/642358559.db2.gz AAQSJYXXFFEIPX-IKGGRYGDSA-N 1 3 307.482 2.240 20 0 DEADHO CC1(C)C[NH2+]CC[C@H](NCCOCC(F)(F)C(F)F)C1 ZINC000902377197 643015369 /nfs/dbraw/zinc/01/53/69/643015369.db2.gz SRTIWPXBHKYVSQ-JTQLQIEISA-N 1 3 300.340 2.271 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H](NC[C@H]2CCCCC[NH2+]2)C1 ZINC000902485089 643057835 /nfs/dbraw/zinc/05/78/35/643057835.db2.gz YVJSLKALUHGUSR-MGPQQGTHSA-N 1 3 318.408 2.475 20 0 DEADHO CCc1ccccc1NC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499209 643365806 /nfs/dbraw/zinc/36/58/06/643365806.db2.gz KNWFFBSXHUDGQI-IIAWOOMASA-N 1 3 303.450 2.493 20 0 DEADHO C[C@@H](c1cccnc1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903508492 643373340 /nfs/dbraw/zinc/37/33/40/643373340.db2.gz ITSVLYNOKWCALV-JCGIZDLHSA-N 1 3 300.450 2.043 20 0 DEADHO C[C@@H](c1cccnc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903508492 643373344 /nfs/dbraw/zinc/37/33/44/643373344.db2.gz ITSVLYNOKWCALV-JCGIZDLHSA-N 1 3 300.450 2.043 20 0 DEADHO C[C@@H](c1cccnc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903508492 643373348 /nfs/dbraw/zinc/37/33/48/643373348.db2.gz ITSVLYNOKWCALV-JCGIZDLHSA-N 1 3 300.450 2.043 20 0 DEADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786830641 643415747 /nfs/dbraw/zinc/41/57/47/643415747.db2.gz UWRIBAWDSMUMNE-IJEWVQPXSA-N 1 3 316.449 2.350 20 0 DEADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786830641 643415750 /nfs/dbraw/zinc/41/57/50/643415750.db2.gz UWRIBAWDSMUMNE-IJEWVQPXSA-N 1 3 316.449 2.350 20 0 DEADHO c1ccn2c(c1)nnc2C1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903734374 643447192 /nfs/dbraw/zinc/44/71/92/643447192.db2.gz YQCDFYBBWGULNL-OAHLLOKOSA-N 1 3 313.449 2.298 20 0 DEADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(CCCc1nc(-c3ccccc3)no1)C2 ZINC000903848353 643482827 /nfs/dbraw/zinc/48/28/27/643482827.db2.gz QHGBLHABJXXJLM-BPUTZDHNSA-N 1 3 312.417 2.481 20 0 DEADHO CC(C)([NH3+])CCNCc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000903939209 643508863 /nfs/dbraw/zinc/50/88/63/643508863.db2.gz VRPWXNQLQXYKBT-UHFFFAOYSA-N 1 3 302.378 2.022 20 0 DEADHO Cc1c(C[C@@H](CN)C[NH2+]C2(C)CCC(F)(F)CC2)cnn1C ZINC000903936352 643515563 /nfs/dbraw/zinc/51/55/63/643515563.db2.gz ZNPGGIBIQACISV-ZDUSSCGKSA-N 1 3 314.424 2.404 20 0 DEADHO CCC[C@H](C)NC(=O)[C@H]1CCCN(C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904316452 643634195 /nfs/dbraw/zinc/63/41/95/643634195.db2.gz MCAHXPMVSSRHEE-XYJFISCASA-N 1 3 309.498 2.393 20 0 DEADHO Nc1ccc(CNCC2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000904361185 643644756 /nfs/dbraw/zinc/64/47/56/643644756.db2.gz XJLQOAZCPORYJY-UHFFFAOYSA-N 1 3 311.433 2.061 20 0 DEADHO COc1cc(OC)c(OC)cc1CN1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904410093 643661374 /nfs/dbraw/zinc/66/13/74/643661374.db2.gz AISUPONRMNKNTJ-STQMWFEESA-N 1 3 308.422 2.129 20 0 DEADHO COc1ccc(C[NH2+]CC2(N)CC2)cc1OCc1cccnc1 ZINC000904451535 643673849 /nfs/dbraw/zinc/67/38/49/643673849.db2.gz ZFIJCBHTBIAZDA-UHFFFAOYSA-N 1 3 313.401 2.250 20 0 DEADHO CCCCCCNC(=O)[C@@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000843060776 650880663 /nfs/dbraw/zinc/88/06/63/650880663.db2.gz PVLMRLVHGKLYDA-AEFFLSMTSA-N 1 3 309.498 2.395 20 0 DEADHO CC(C)C[C@@H](N)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000906085370 644133147 /nfs/dbraw/zinc/13/31/47/644133147.db2.gz LWAFEFHYTGDFSC-IXDOHACOSA-N 1 3 309.498 2.473 20 0 DEADHO CC(C)C[C@@H](N)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000906085370 644133149 /nfs/dbraw/zinc/13/31/49/644133149.db2.gz LWAFEFHYTGDFSC-IXDOHACOSA-N 1 3 309.498 2.473 20 0 DEADHO COc1ccc2c(c1)[nH+]ccc2N1CCN(C[C@@H](C)O)C[C@H]1C ZINC000795141333 644527769 /nfs/dbraw/zinc/52/77/69/644527769.db2.gz SHJMABFKMHRPJU-ZIAGYGMSSA-N 1 3 315.417 2.135 20 0 DEADHO COc1ccc2c(c1)nccc2N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000795141333 644527776 /nfs/dbraw/zinc/52/77/76/644527776.db2.gz SHJMABFKMHRPJU-ZIAGYGMSSA-N 1 3 315.417 2.135 20 0 DEADHO COc1ccc2c(c1)nccc2N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000795141333 644527779 /nfs/dbraw/zinc/52/77/79/644527779.db2.gz SHJMABFKMHRPJU-ZIAGYGMSSA-N 1 3 315.417 2.135 20 0 DEADHO CN(C/C=C/Cl)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000796282740 644712009 /nfs/dbraw/zinc/71/20/09/644712009.db2.gz YJCLJOPXUVKVPQ-VMPITWQZSA-N 1 3 307.869 2.489 20 0 DEADHO [NH3+]CC1CCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000843344868 650953310 /nfs/dbraw/zinc/95/33/10/650953310.db2.gz CONDXHFPBJAMJT-UHFFFAOYSA-N 1 3 312.413 2.452 20 0 DEADHO CN1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC12CCCCC2 ZINC000908574809 644915147 /nfs/dbraw/zinc/91/51/47/644915147.db2.gz GOAAVRQWRZYPCH-UHFFFAOYSA-N 1 3 319.493 2.339 20 0 DEADHO O[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1)c1ccc(F)cn1 ZINC000799310444 645154771 /nfs/dbraw/zinc/15/47/71/645154771.db2.gz YCISHHREERTSTI-DOPJRALCSA-N 1 3 319.424 2.203 20 0 DEADHO O[C@H](C[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1)c1ccc(F)cn1 ZINC000799310444 645154773 /nfs/dbraw/zinc/15/47/73/645154773.db2.gz YCISHHREERTSTI-DOPJRALCSA-N 1 3 319.424 2.203 20 0 DEADHO C[NH+](C)CCCC1CCN(C[C@@H](O)c2ccc(F)cn2)CC1 ZINC000799310361 645155046 /nfs/dbraw/zinc/15/50/46/645155046.db2.gz AETRQHHFFFKLJZ-QGZVFWFLSA-N 1 3 309.429 2.308 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)N1CCCCC1 ZINC000913160445 646278159 /nfs/dbraw/zinc/27/81/59/646278159.db2.gz ZUWXONGMOCDCFR-INIZCTEOSA-N 1 3 307.482 2.384 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)N1CCCCC1 ZINC000913160445 646278161 /nfs/dbraw/zinc/27/81/61/646278161.db2.gz ZUWXONGMOCDCFR-INIZCTEOSA-N 1 3 307.482 2.384 20 0 DEADHO C[NH+](C)C1(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CCCC1 ZINC000810120838 646326693 /nfs/dbraw/zinc/32/66/93/646326693.db2.gz VBGQRKOXDRRZIG-KRWDZBQOSA-N 1 3 313.461 2.190 20 0 DEADHO CSC1(CNCc2c(C)nn(C)c2Cl)CC[NH+](C)CC1 ZINC000810170490 646334985 /nfs/dbraw/zinc/33/49/85/646334985.db2.gz NXZPUPOKNPFCNF-UHFFFAOYSA-N 1 3 316.902 2.299 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnn(C)c2Cl)C[C@@H](C)O1 ZINC000815120472 646973291 /nfs/dbraw/zinc/97/32/91/646973291.db2.gz JFDGDQVQQFDJLI-CHWSQXEVSA-N 1 3 314.861 2.053 20 0 DEADHO CC(C)[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]21 ZINC000992725217 647196772 /nfs/dbraw/zinc/19/67/72/647196772.db2.gz ZLUCOWQMHNJUQL-ARFHVFGLSA-N 1 3 307.482 2.096 20 0 DEADHO CC(C)Oc1ccc([C@H](O)CN[C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000817895080 647373899 /nfs/dbraw/zinc/37/38/99/647373899.db2.gz UTKHRYIGZQSVDV-FHLIZLRMSA-N 1 3 306.450 2.485 20 0 DEADHO COc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(CN)nc2C)cc1 ZINC000817901488 647376963 /nfs/dbraw/zinc/37/69/63/647376963.db2.gz VYHFGWONRSCZFW-KZULUSFZSA-N 1 3 315.417 2.242 20 0 DEADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000817901240 647376977 /nfs/dbraw/zinc/37/69/77/647376977.db2.gz UMBOGENRDRMXEZ-CRAIPNDOSA-N 1 3 321.428 2.315 20 0 DEADHO COC(=O)N1CCC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000817902981 647377473 /nfs/dbraw/zinc/37/74/73/647377473.db2.gz CYFXBGNRUSYFKN-CAOSSQGBSA-N 1 3 309.454 2.118 20 0 DEADHO C[C@H](CC(=O)Nc1cccnc1Cl)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000817948097 647390634 /nfs/dbraw/zinc/39/06/34/647390634.db2.gz VDKGRJYUUJMKNO-UPJWGTAASA-N 1 3 324.856 2.430 20 0 DEADHO O=C(Oc1ccccc1)N1CCC[C@H](NCC[NH2+]C2CC2)CC1 ZINC000817954255 647392700 /nfs/dbraw/zinc/39/27/00/647392700.db2.gz WRAZSAWHVXUGRS-HNNXBMFYSA-N 1 3 317.433 2.382 20 0 DEADHO C[C@H]([NH2+][C@@H]1CNCC[C@H]1C)c1ccc(N2CCOC2=O)cc1 ZINC000817968035 647396815 /nfs/dbraw/zinc/39/68/15/647396815.db2.gz NQMJRNCEPOMQQL-DVOMOZLQSA-N 1 3 303.406 2.292 20 0 DEADHO CC(C)[C@H](C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1)N(C)C ZINC000732135554 647544829 /nfs/dbraw/zinc/54/48/29/647544829.db2.gz HCUACRFVDLFKGD-QGZVFWFLSA-N 1 3 321.465 2.176 20 0 DEADHO CO[C@@H]1CC[C@@H](N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000821362238 648043931 /nfs/dbraw/zinc/04/39/31/648043931.db2.gz FCGQNJHKSYQCFC-XMTFNYHQSA-N 1 3 309.498 2.044 20 0 DEADHO CO[C@@H]1CC[C@@H](N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000821362238 648043939 /nfs/dbraw/zinc/04/39/39/648043939.db2.gz FCGQNJHKSYQCFC-XMTFNYHQSA-N 1 3 309.498 2.044 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@H]1CCCC1(F)F ZINC000824826555 648658482 /nfs/dbraw/zinc/65/84/82/648658482.db2.gz KTDGQJYDQNCMFD-UONOGXRCSA-N 1 3 319.440 2.200 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@H]1CCCC1(F)F ZINC000824826555 648658484 /nfs/dbraw/zinc/65/84/84/648658484.db2.gz KTDGQJYDQNCMFD-UONOGXRCSA-N 1 3 319.440 2.200 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000826686582 648907360 /nfs/dbraw/zinc/90/73/60/648907360.db2.gz SOEDWIPXPKNSLH-QGZVFWFLSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1ccccc1CN1CCCN(C(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000826989105 648956822 /nfs/dbraw/zinc/95/68/22/648956822.db2.gz CNNICWAGLFKZST-SFHVURJKSA-N 1 3 315.461 2.157 20 0 DEADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000940918422 648971445 /nfs/dbraw/zinc/97/14/45/648971445.db2.gz PKSYLICUNSRCLT-IRXDYDNUSA-N 1 3 321.509 2.488 20 0 DEADHO CCC[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000940918422 648971446 /nfs/dbraw/zinc/97/14/46/648971446.db2.gz PKSYLICUNSRCLT-IRXDYDNUSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1C[N@H+](CC2CC2)CC[C@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC000942052087 649143295 /nfs/dbraw/zinc/14/32/95/649143295.db2.gz CDGAIPLZKMDYQZ-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1C[N@@H+](CC2CC2)CC[C@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC000942052087 649143298 /nfs/dbraw/zinc/14/32/98/649143298.db2.gz CDGAIPLZKMDYQZ-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](NC1CC1)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000831480985 649600538 /nfs/dbraw/zinc/60/05/38/649600538.db2.gz LGYSMYOKZDRJSB-ZDUSSCGKSA-N 1 3 305.422 2.096 20 0 DEADHO C[NH+](C)CCCC1CCN(C[C@@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844319556 651111651 /nfs/dbraw/zinc/11/16/51/651111651.db2.gz ZKTOJCQLMPEBTM-MRXNPFEDSA-N 1 3 309.454 2.023 20 0 DEADHO CCCC[N@H+](C)CC1CCN(C[C@@H]2CN(CC)C(=O)O2)CC1 ZINC000846776429 651350958 /nfs/dbraw/zinc/35/09/58/651350958.db2.gz PWWURWKLDLIJAS-MRXNPFEDSA-N 1 3 311.470 2.271 20 0 DEADHO CCCC[N@@H+](C)CC1CCN(C[C@@H]2CN(CC)C(=O)O2)CC1 ZINC000846776429 651350960 /nfs/dbraw/zinc/35/09/60/651350960.db2.gz PWWURWKLDLIJAS-MRXNPFEDSA-N 1 3 311.470 2.271 20 0 DEADHO [NH3+][C@H]1CCC[C@@H](NC[C@@H](O)c2cccc(Br)c2)C1 ZINC000848719852 651498011 /nfs/dbraw/zinc/49/80/11/651498011.db2.gz FQHRAVNTUHEEJB-BFHYXJOUSA-N 1 3 313.239 2.342 20 0 DEADHO COC(=O)/C=C/c1ccc(CNCCC2CC[NH+](C)CC2)o1 ZINC000848894097 651549466 /nfs/dbraw/zinc/54/94/66/651549466.db2.gz CFQKWCGUCWLYOZ-AATRIKPKSA-N 1 3 306.406 2.287 20 0 DEADHO C[C@H]1C[C@@H]1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000848990366 651573210 /nfs/dbraw/zinc/57/32/10/651573210.db2.gz DSSMTPIBZBAOFR-GOEBONIOSA-N 1 3 300.450 2.421 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCO[C@@H](C(C)C)C1 ZINC000849037127 651590538 /nfs/dbraw/zinc/59/05/38/651590538.db2.gz PJYLUEDZUHWDLQ-ARFHVFGLSA-N 1 3 310.486 2.036 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@]1(F)c1ccccc1 ZINC000849044644 651593835 /nfs/dbraw/zinc/59/38/35/651593835.db2.gz AZFKEUYDCQLHCR-VYDXJSESSA-N 1 3 304.413 2.222 20 0 DEADHO Cc1ccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cn1 ZINC000850357346 651910614 /nfs/dbraw/zinc/91/06/14/651910614.db2.gz GONMMYALKGQRNA-IBGZPJMESA-N 1 3 311.429 2.246 20 0 DEADHO Cc1ccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cn1 ZINC000850357346 651910615 /nfs/dbraw/zinc/91/06/15/651910615.db2.gz GONMMYALKGQRNA-IBGZPJMESA-N 1 3 311.429 2.246 20 0 DEADHO C[N@H+](C[C@@H]1CCN(Cc2ccccc2)C1)C[C@@H]1CCC(=O)O1 ZINC000851791640 652238621 /nfs/dbraw/zinc/23/86/21/652238621.db2.gz BSMILJMPMPZPLQ-IRXDYDNUSA-N 1 3 302.418 2.146 20 0 DEADHO C[N@@H+](C[C@@H]1CCN(Cc2ccccc2)C1)C[C@@H]1CCC(=O)O1 ZINC000851791640 652238624 /nfs/dbraw/zinc/23/86/24/652238624.db2.gz BSMILJMPMPZPLQ-IRXDYDNUSA-N 1 3 302.418 2.146 20 0 DEADHO CC(C)[C@H]([NH2+]C[C@@H](O)CN(C)C(C)C)[C@@H](O)c1ccccc1 ZINC000852036185 652320438 /nfs/dbraw/zinc/32/04/38/652320438.db2.gz SYFBAQWZPIAOPT-SQNIBIBYSA-N 1 3 308.466 2.035 20 0 DEADHO CN(C(=O)C=C1CC[NH2+]CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000852884051 652474920 /nfs/dbraw/zinc/47/49/20/652474920.db2.gz SLYGXUJTLWTDTP-GOSISDBHSA-N 1 3 313.445 2.029 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(N2CCCNC2=O)cc1 ZINC000854232957 652662475 /nfs/dbraw/zinc/66/24/75/652662475.db2.gz YCNWAKYXDZSXED-WBVHZDCISA-N 1 3 316.449 2.213 20 0 DEADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001391338370 1156343722 /nfs/dbraw/zinc/34/37/22/1156343722.db2.gz LVQGUMOUKKEKJK-KRWDZBQOSA-N 1 3 309.498 2.347 20 0 DEADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001391338370 1156343727 /nfs/dbraw/zinc/34/37/27/1156343727.db2.gz LVQGUMOUKKEKJK-KRWDZBQOSA-N 1 3 309.498 2.347 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cc(C)sc1C)N(C)C ZINC001392592395 1157178351 /nfs/dbraw/zinc/17/83/51/1157178351.db2.gz DOTNAFUWMSAGPA-NHYWBVRUSA-N 1 3 311.495 2.299 20 0 DEADHO CC[C@H](C)C[NH2+]C1(C)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001393740684 1157943043 /nfs/dbraw/zinc/94/30/43/1157943043.db2.gz YIIHBMDSKYPFBN-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H]1[C@@H](NC(=O)c2ccc(Nc3ccncc3)cc2)CC[N@@H+]1C ZINC000928441175 693780081 /nfs/dbraw/zinc/78/00/81/693780081.db2.gz DBXOUYWCCCQBMN-GUYCJALGSA-N 1 3 310.401 2.070 20 0 DEADHO C[C@H]1[C@@H](NC(=O)c2ccc(Nc3ccncc3)cc2)CC[N@H+]1C ZINC000928441175 693780085 /nfs/dbraw/zinc/78/00/85/693780085.db2.gz DBXOUYWCCCQBMN-GUYCJALGSA-N 1 3 310.401 2.070 20 0 DEADHO CN(C)CCC[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000036804118 683881159 /nfs/dbraw/zinc/88/11/59/683881159.db2.gz GUCUOBPSUYCLLA-UHFFFAOYSA-N 1 3 315.211 2.219 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](O)c2ccco2)[C@H](C)C1 ZINC000125163345 684142824 /nfs/dbraw/zinc/14/28/24/684142824.db2.gz GFOIHRGWRSASRF-PMPSAXMXSA-N 1 3 310.438 2.040 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000928838553 693853082 /nfs/dbraw/zinc/85/30/82/693853082.db2.gz KXWMUJURVOKOMC-HLLBOEOZSA-N 1 3 318.465 2.063 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205451 693882457 /nfs/dbraw/zinc/88/24/57/693882457.db2.gz RQCVNHSZIIJWGC-QAPCUYQASA-N 1 3 318.465 2.313 20 0 DEADHO CC[C@@H](C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205451 693882459 /nfs/dbraw/zinc/88/24/59/693882459.db2.gz RQCVNHSZIIJWGC-QAPCUYQASA-N 1 3 318.465 2.313 20 0 DEADHO CCCCN1Cc2ccc(CNC(=O)[C@H]3CC[N@H+](C)C3)cc2C1 ZINC001054291976 693917141 /nfs/dbraw/zinc/91/71/41/693917141.db2.gz NFTXCBSEBUOACZ-KRWDZBQOSA-N 1 3 315.461 2.370 20 0 DEADHO CCCCN1Cc2ccc(CNC(=O)[C@H]3CC[N@@H+](C)C3)cc2C1 ZINC001054291976 693917143 /nfs/dbraw/zinc/91/71/43/693917143.db2.gz NFTXCBSEBUOACZ-KRWDZBQOSA-N 1 3 315.461 2.370 20 0 DEADHO CC(C)CN1Cc2ccc(CNC(=O)[C@H]3CC[N@H+](C)C3)cc2C1 ZINC001054292339 693917412 /nfs/dbraw/zinc/91/74/12/693917412.db2.gz ZYBQKWOAGYSRPB-KRWDZBQOSA-N 1 3 315.461 2.226 20 0 DEADHO CC(C)CN1Cc2ccc(CNC(=O)[C@H]3CC[N@@H+](C)C3)cc2C1 ZINC001054292339 693917414 /nfs/dbraw/zinc/91/74/14/693917414.db2.gz ZYBQKWOAGYSRPB-KRWDZBQOSA-N 1 3 315.461 2.226 20 0 DEADHO CC[C@](O)(CN1CCC(C[NH+]2CCCC2)CC1)C(F)(F)F ZINC000929276780 693928951 /nfs/dbraw/zinc/92/89/51/693928951.db2.gz RDETXKSMQTXZPV-AWEZNQCLSA-N 1 3 308.388 2.498 20 0 DEADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000248062003 685154814 /nfs/dbraw/zinc/15/48/14/685154814.db2.gz LWPDFYOVHJXJQE-ZNMIVQPWSA-N 1 3 311.470 2.316 20 0 DEADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000248062003 685154817 /nfs/dbraw/zinc/15/48/17/685154817.db2.gz LWPDFYOVHJXJQE-ZNMIVQPWSA-N 1 3 311.470 2.316 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(F)nc2)[C@@H](C)C1 ZINC000249473778 685180804 /nfs/dbraw/zinc/18/08/04/685180804.db2.gz SSHCZWLTGOZKDO-GOEBONIOSA-N 1 3 309.429 2.447 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000929470169 693962762 /nfs/dbraw/zinc/96/27/62/693962762.db2.gz ZJRJZHYOPMOSTK-QZTJIDSGSA-N 1 3 317.477 2.148 20 0 DEADHO CO[C@@H]1CN(C)[C@@](C)(COC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000861354460 686060068 /nfs/dbraw/zinc/06/00/68/686060068.db2.gz VUCBUFQGPBQQDT-FUHWJXTLSA-N 1 3 320.433 2.014 20 0 DEADHO CN1CCC[C@H](C[N@H+](C)C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000929699857 694008210 /nfs/dbraw/zinc/00/82/10/694008210.db2.gz UVGONTFCWPFUPK-WDEREUQCSA-N 1 3 318.330 2.209 20 0 DEADHO CN1CCC[C@H](C[N@@H+](C)C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000929699857 694008214 /nfs/dbraw/zinc/00/82/14/694008214.db2.gz UVGONTFCWPFUPK-WDEREUQCSA-N 1 3 318.330 2.209 20 0 DEADHO C[NH2+]CCOCCN[C@H](C)c1cnn(-c2ccccc2)c1C ZINC000863543617 686518085 /nfs/dbraw/zinc/51/80/85/686518085.db2.gz SNXYKTCKWWPGGR-CQSZACIVSA-N 1 3 302.422 2.067 20 0 DEADHO C[NH2+]CCOCCN[C@@H](C)c1cnn(-c2ccccc2)c1C ZINC000863543616 686518269 /nfs/dbraw/zinc/51/82/69/686518269.db2.gz SNXYKTCKWWPGGR-AWEZNQCLSA-N 1 3 302.422 2.067 20 0 DEADHO CCOC(=O)C1=CC[C@H]([NH2+][C@H](C)c2ccc(CN)nc2C)C1 ZINC000863543850 686519028 /nfs/dbraw/zinc/51/90/28/686519028.db2.gz DLJWPUCHUJJMHZ-RISCZKNCSA-N 1 3 303.406 2.151 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC1CCCC1 ZINC001054738191 694036027 /nfs/dbraw/zinc/03/60/27/694036027.db2.gz ODDVXMCLRLGVQG-WMLDXEAASA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCC3)C2)CCC1 ZINC001375578446 1158819185 /nfs/dbraw/zinc/81/91/85/1158819185.db2.gz UKABMIXJIBFKLB-JKSUJKDBSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001016332733 687594743 /nfs/dbraw/zinc/59/47/43/687594743.db2.gz GDJJNYJJHOULQY-INIZCTEOSA-N 1 3 303.450 2.208 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001016332733 687594746 /nfs/dbraw/zinc/59/47/46/687594746.db2.gz GDJJNYJJHOULQY-INIZCTEOSA-N 1 3 303.450 2.208 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@@H]2CC23CC[NH+](CC2CCC2)CC3)C1 ZINC001016820588 687709899 /nfs/dbraw/zinc/70/98/99/687709899.db2.gz RWYOYIPXNABEKX-DOTOQJQBSA-N 1 3 319.493 2.099 20 0 DEADHO CC(C)C[NH+]1CCC2(C[C@@H]2NC(=O)CN2CCC[C@H]2C)CC1 ZINC001016829620 687712183 /nfs/dbraw/zinc/71/21/83/687712183.db2.gz MHOHRVOMYNUXMX-CVEARBPZSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)=CC[NH+]1CCC2(C[C@@H]2NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001016830817 687712597 /nfs/dbraw/zinc/71/25/97/687712597.db2.gz WIYBAUARPKRPRH-IRXDYDNUSA-N 1 3 319.493 2.408 20 0 DEADHO CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001016862147 687720792 /nfs/dbraw/zinc/72/07/92/687720792.db2.gz RYGSRDGNHQESNQ-HZPDHXFCSA-N 1 3 307.482 2.240 20 0 DEADHO CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001016861055 687721173 /nfs/dbraw/zinc/72/11/73/687721173.db2.gz NNEQLRVSKRKWGL-HZPDHXFCSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001017557099 687912217 /nfs/dbraw/zinc/91/22/17/687912217.db2.gz OGUGSEYTZLIKMV-NRSFXHEJSA-N 1 3 319.493 2.050 20 0 DEADHO CC[C@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCC[C@H]1C ZINC001017941956 688007287 /nfs/dbraw/zinc/00/72/87/688007287.db2.gz JSWWNKJXRNDYLQ-VVLHAWIVSA-N 1 3 307.482 2.192 20 0 DEADHO CC[C@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCC[C@H]1C ZINC001017941956 688007294 /nfs/dbraw/zinc/00/72/94/688007294.db2.gz JSWWNKJXRNDYLQ-VVLHAWIVSA-N 1 3 307.482 2.192 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC001018963100 688262647 /nfs/dbraw/zinc/26/26/47/688262647.db2.gz ZEEAUWRKLHTFQJ-KRWDZBQOSA-N 1 3 315.461 2.170 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC001018971678 688264541 /nfs/dbraw/zinc/26/45/41/688264541.db2.gz NNXSFQKMZGUKCJ-KRWDZBQOSA-N 1 3 315.461 2.170 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1)N(C)C ZINC001019033140 688273794 /nfs/dbraw/zinc/27/37/94/688273794.db2.gz AULWJQJTVHCVCD-ZWKOTPCHSA-N 1 3 317.477 2.334 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC2CCC(C)CC2)C1)N(C)C ZINC001019032486 688273931 /nfs/dbraw/zinc/27/39/31/688273931.db2.gz ZLQZEAMGHNYEOW-SJJHQCBESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[NH2+][C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001019386885 688344224 /nfs/dbraw/zinc/34/42/24/688344224.db2.gz WZERTRXIMOSHPT-YOEHRIQHSA-N 1 3 313.461 2.045 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001019438651 688356505 /nfs/dbraw/zinc/35/65/05/688356505.db2.gz QUZTYEYYLAWQEF-HNNXBMFYSA-N 1 3 304.438 2.113 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CC2)CC1 ZINC001026492176 688528536 /nfs/dbraw/zinc/52/85/36/688528536.db2.gz DSERHEDVPWLWRD-OFLPRAFFSA-N 1 3 307.482 2.286 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870926418 688688749 /nfs/dbraw/zinc/68/87/49/688688749.db2.gz CNKJLCPFIUTHKY-OWLYRPNTSA-N 1 3 315.461 2.141 20 0 DEADHO CC[N@@H+]1CC[C@@H](NCCOC(F)(F)C(F)(F)F)[C@@H](C)C1 ZINC000872110800 688930916 /nfs/dbraw/zinc/93/09/16/688930916.db2.gz QMUBHAFEYJCDHM-VHSXEESVSA-N 1 3 304.303 2.478 20 0 DEADHO CC[N@H+]1CC[C@@H](NCCOC(F)(F)C(F)(F)F)[C@@H](C)C1 ZINC000872110800 688930918 /nfs/dbraw/zinc/93/09/18/688930918.db2.gz QMUBHAFEYJCDHM-VHSXEESVSA-N 1 3 304.303 2.478 20 0 DEADHO CC(C)(C)S(=O)(=O)CCCN[C@H](C[NH3+])C1CCCCC1 ZINC000872144482 688936035 /nfs/dbraw/zinc/93/60/35/688936035.db2.gz GFVMGCDXPDZMNU-CQSZACIVSA-N 1 3 304.500 2.087 20 0 DEADHO Cc1ccccc1CNC(=O)[C@H](C)N(C)CCCCCC[NH3+] ZINC000872155486 688940004 /nfs/dbraw/zinc/94/00/04/688940004.db2.gz UPKSSJUJOATXNT-INIZCTEOSA-N 1 3 305.466 2.451 20 0 DEADHO Cc1ccccc1CNC(=O)[C@@H](C)N(C)CCCCCC[NH3+] ZINC000872155487 688940499 /nfs/dbraw/zinc/94/04/99/688940499.db2.gz UPKSSJUJOATXNT-MRXNPFEDSA-N 1 3 305.466 2.451 20 0 DEADHO CN(C(=O)CN1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1)C1CC1 ZINC000872156892 688940605 /nfs/dbraw/zinc/94/06/05/688940605.db2.gz MGKBHAHKOMXTLN-PBHICJAKSA-N 1 3 307.482 2.227 20 0 DEADHO C[C@@H](CCNC[C@@H](O)CC(C)(C)O)[N@H+](C)Cc1ccccc1 ZINC000872203800 688951368 /nfs/dbraw/zinc/95/13/68/688951368.db2.gz NPXWNQHUNACODI-RDJZCZTQSA-N 1 3 308.466 2.009 20 0 DEADHO C[C@@H](CCNC[C@@H](O)CC(C)(C)O)[N@@H+](C)Cc1ccccc1 ZINC000872203800 688951371 /nfs/dbraw/zinc/95/13/71/688951371.db2.gz NPXWNQHUNACODI-RDJZCZTQSA-N 1 3 308.466 2.009 20 0 DEADHO CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001032443608 689152803 /nfs/dbraw/zinc/15/28/03/689152803.db2.gz ZPCHNFNELDHPGR-ULQDDVLXSA-N 1 3 307.482 2.050 20 0 DEADHO CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001032443608 689152805 /nfs/dbraw/zinc/15/28/05/689152805.db2.gz ZPCHNFNELDHPGR-ULQDDVLXSA-N 1 3 307.482 2.050 20 0 DEADHO c1c(CN2CCN(C3CCCC3)CC2)sc2c1C[NH2+]CC2 ZINC000873202619 689182179 /nfs/dbraw/zinc/18/21/79/689182179.db2.gz VSNGDCONKVIMSM-UHFFFAOYSA-N 1 3 305.491 2.454 20 0 DEADHO Nc1cnc(CN2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cn1 ZINC000873232195 689190732 /nfs/dbraw/zinc/19/07/32/689190732.db2.gz MSTREHCEWTWNKY-CZUORRHYSA-N 1 3 303.454 2.178 20 0 DEADHO Cc1ccc(CN2CCO[C@H](CN[C@H]3CCC[C@@H]([NH3+])C3)C2)cc1 ZINC000873266989 689197918 /nfs/dbraw/zinc/19/79/18/689197918.db2.gz VGSAATKATJAFLP-CEXWTWQISA-N 1 3 317.477 2.055 20 0 DEADHO [NH3+]C[C@H]1CCC[C@@H]1N[C@H]1C[C@H](C(=O)OCc2ccccc2)C1 ZINC000873274421 689199773 /nfs/dbraw/zinc/19/97/73/689199773.db2.gz UVWVLGDNTGVOCS-VQHPVUNQSA-N 1 3 302.418 2.225 20 0 DEADHO NC[C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](C(=O)OCc2ccccc2)C1 ZINC000873274421 689199777 /nfs/dbraw/zinc/19/97/77/689199777.db2.gz UVWVLGDNTGVOCS-VQHPVUNQSA-N 1 3 302.418 2.225 20 0 DEADHO CN(C(=O)C(C)(C)N1CCCCC1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001033078929 689379017 /nfs/dbraw/zinc/37/90/17/689379017.db2.gz YNLDVFGEKFQZGR-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C(=O)C(C)(C)N1CCCCC1)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001033078929 689379022 /nfs/dbraw/zinc/37/90/22/689379022.db2.gz YNLDVFGEKFQZGR-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@H]2CCCN2C(C)C)o1 ZINC000930978321 694286529 /nfs/dbraw/zinc/28/65/29/694286529.db2.gz MKIXEWYDRIKZAL-QGZVFWFLSA-N 1 3 321.465 2.351 20 0 DEADHO CC1CC(C[N@@H+]2CC[C@@H](N(C)C(=O)C(C)(C)N3CCCC3)C2)C1 ZINC001033320379 689460515 /nfs/dbraw/zinc/46/05/15/689460515.db2.gz VOFSJBIKXIJULI-OFLPRAFFSA-N 1 3 321.509 2.440 20 0 DEADHO CC1CC(C[N@H+]2CC[C@@H](N(C)C(=O)C(C)(C)N3CCCC3)C2)C1 ZINC001033320379 689460518 /nfs/dbraw/zinc/46/05/18/689460518.db2.gz VOFSJBIKXIJULI-OFLPRAFFSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001033472041 689513189 /nfs/dbraw/zinc/51/31/89/689513189.db2.gz QYZBGHDJOWWQAN-IAGOWNOFSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001033472041 689513190 /nfs/dbraw/zinc/51/31/90/689513190.db2.gz QYZBGHDJOWWQAN-IAGOWNOFSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001033472436 689513570 /nfs/dbraw/zinc/51/35/70/689513570.db2.gz VPBHUKSLBHZFJU-IRXDYDNUSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001033472436 689513573 /nfs/dbraw/zinc/51/35/73/689513573.db2.gz VPBHUKSLBHZFJU-IRXDYDNUSA-N 1 3 309.498 2.438 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001033588823 689553085 /nfs/dbraw/zinc/55/30/85/689553085.db2.gz LCFBAVQZWGODAG-ZIAGYGMSSA-N 1 3 306.454 2.266 20 0 DEADHO CC[C@@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001033588823 689553088 /nfs/dbraw/zinc/55/30/88/689553088.db2.gz LCFBAVQZWGODAG-ZIAGYGMSSA-N 1 3 306.454 2.266 20 0 DEADHO CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CCN(CC=C(C)C)C1 ZINC001033830989 689629782 /nfs/dbraw/zinc/62/97/82/689629782.db2.gz RHWXJTDBSHFURA-QZTJIDSGSA-N 1 3 319.493 2.217 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876728556 689918697 /nfs/dbraw/zinc/91/86/97/689918697.db2.gz PGLKMMHAAZIYAH-IUCKJTJTSA-N 1 3 317.433 2.251 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@]23CCC[C@H]2[NH2+]CC3)N(C)C)cc1 ZINC000876732477 689919748 /nfs/dbraw/zinc/91/97/48/689919748.db2.gz XDYGAQWJGYPLEO-SCTDSRPQSA-N 1 3 315.461 2.246 20 0 DEADHO C[C@H](CNC(=O)/C=C/[C@@H]1CCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000876765638 689930337 /nfs/dbraw/zinc/93/03/37/689930337.db2.gz WBRUVSFBKAWRPN-IYWWOYPTSA-N 1 3 315.461 2.179 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCF)CC1 ZINC001034749960 689939695 /nfs/dbraw/zinc/93/96/95/689939695.db2.gz OYLAXTRXUNRRHP-JYJNAYRXSA-N 1 3 313.461 2.236 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CC2)CC1 ZINC001034797062 689949428 /nfs/dbraw/zinc/94/94/28/689949428.db2.gz VFHYHEKFQPSOTO-MUIFIZLQSA-N 1 3 307.482 2.286 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000876876989 689961693 /nfs/dbraw/zinc/96/16/93/689961693.db2.gz XEPWRWSDHBNASO-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)C[C@H]([NH3+])C1CC1 ZINC000877030259 690001752 /nfs/dbraw/zinc/00/17/52/690001752.db2.gz DGJLHDXFWIHKMV-SOLBZPMBSA-N 1 3 313.445 2.257 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)C[NH2+]CC1CC1 ZINC000877031816 690002779 /nfs/dbraw/zinc/00/27/79/690002779.db2.gz BYZXHUFZQYBIJM-SJLPKXTDSA-N 1 3 313.445 2.129 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1)N(C)C ZINC001035039399 690018233 /nfs/dbraw/zinc/01/82/33/690018233.db2.gz AAAUWBQSHBTQMR-QZTJIDSGSA-N 1 3 317.477 2.353 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CC2CC(C)(C)C2)C1 ZINC001035049339 690020978 /nfs/dbraw/zinc/02/09/78/690020978.db2.gz MQGQTDLDVVHQLT-DOTOQJQBSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CC2=CCCCC2)C1 ZINC001035050168 690021366 /nfs/dbraw/zinc/02/13/66/690021366.db2.gz WKOZNXIQZYGREQ-SJLPKXTDSA-N 1 3 319.493 2.409 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCCC2)cc1 ZINC001035125799 690034094 /nfs/dbraw/zinc/03/40/94/690034094.db2.gz OFBQBHRRHDPQAN-GOSISDBHSA-N 1 3 315.461 2.171 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CC[C@@H]([NH3+])CC3)C2)cc1 ZINC000877222033 690049357 /nfs/dbraw/zinc/04/93/57/690049357.db2.gz WHGSEEAIACNEMN-KSZLIROESA-N 1 3 315.461 2.203 20 0 DEADHO CC(C)[N@@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@H](C)C1)CC2 ZINC001035226659 690065887 /nfs/dbraw/zinc/06/58/87/690065887.db2.gz JHOBAVXTNYYSHQ-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[N@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@H](C)C1)CC2 ZINC001035226659 690065889 /nfs/dbraw/zinc/06/58/89/690065889.db2.gz JHOBAVXTNYYSHQ-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877285339 690066240 /nfs/dbraw/zinc/06/62/40/690066240.db2.gz ZMZHLVAQPLYIEX-ROUUACIJSA-N 1 3 313.445 2.249 20 0 DEADHO CC(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001035255040 690074800 /nfs/dbraw/zinc/07/48/00/690074800.db2.gz YOQITJXNJYCQAK-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CC(C)CC[N@H+]1CCC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001035255040 690074803 /nfs/dbraw/zinc/07/48/03/690074803.db2.gz YOQITJXNJYCQAK-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC2(C[NH+](CC3CCC3)C2)CC1)N(C)C ZINC001035786652 690176080 /nfs/dbraw/zinc/17/60/80/690176080.db2.gz BVTYXIQHBMLMFT-QGZVFWFLSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC2(C[NH+](CCC3CC3)C2)CC1)N(C)C ZINC001035787776 690176565 /nfs/dbraw/zinc/17/65/65/690176565.db2.gz TZJLSVZUTQLQCO-QGZVFWFLSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001036206150 690291164 /nfs/dbraw/zinc/29/11/64/690291164.db2.gz PGYPJMNKGSRSPU-WMLDXEAASA-N 1 3 316.449 2.279 20 0 DEADHO CN1CCCC[C@H]1CC[N@H+](C)C[C@H](O)C[C@@H](O)c1ccccc1 ZINC000878134627 690321139 /nfs/dbraw/zinc/32/11/39/690321139.db2.gz DEYXAZSIADNDIO-IPMKNSEASA-N 1 3 320.477 2.277 20 0 DEADHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@H](O)C[C@@H](O)c1ccccc1 ZINC000878134627 690321142 /nfs/dbraw/zinc/32/11/42/690321142.db2.gz DEYXAZSIADNDIO-IPMKNSEASA-N 1 3 320.477 2.277 20 0 DEADHO CN1CCCC[C@H]1CC[N@H+](C)C[C@H](O)C[C@H](O)c1ccccc1 ZINC000878134629 690321224 /nfs/dbraw/zinc/32/12/24/690321224.db2.gz DEYXAZSIADNDIO-OTWHNJEPSA-N 1 3 320.477 2.277 20 0 DEADHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@H](O)C[C@H](O)c1ccccc1 ZINC000878134629 690321227 /nfs/dbraw/zinc/32/12/27/690321227.db2.gz DEYXAZSIADNDIO-OTWHNJEPSA-N 1 3 320.477 2.277 20 0 DEADHO C[C@H]([NH2+]CC1CC1)[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001036462531 690355266 /nfs/dbraw/zinc/35/52/66/690355266.db2.gz WKLTZYUYFNBUMM-WMZOPIPTSA-N 1 3 321.509 2.345 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C[C@H]2CC3(CO2)CCOCC3)[C@@H](C)C1 ZINC000878258032 690359839 /nfs/dbraw/zinc/35/98/39/690359839.db2.gz MLUPVKYZCJABJQ-BBWFWOEESA-N 1 3 310.482 2.234 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C[C@H]2CC3(CO2)CCOCC3)[C@@H](C)C1 ZINC000878258032 690359843 /nfs/dbraw/zinc/35/98/43/690359843.db2.gz MLUPVKYZCJABJQ-BBWFWOEESA-N 1 3 310.482 2.234 20 0 DEADHO CC[C@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000878344940 690384339 /nfs/dbraw/zinc/38/43/39/690384339.db2.gz ITJIYENTJNHGIN-KRWDZBQOSA-N 1 3 303.450 2.246 20 0 DEADHO CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@H]21 ZINC001036717530 690443725 /nfs/dbraw/zinc/44/37/25/690443725.db2.gz XAZPTXWAKRFWCN-JKSUJKDBSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@H]21 ZINC001036717530 690443727 /nfs/dbraw/zinc/44/37/27/690443727.db2.gz XAZPTXWAKRFWCN-JKSUJKDBSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CCC3CC3)C2)CCC1 ZINC001036736145 690452168 /nfs/dbraw/zinc/45/21/68/690452168.db2.gz VUVCENASIADMEZ-IRXDYDNUSA-N 1 3 319.493 2.194 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CCC3CC3)C2)CCC1 ZINC001036736145 690452171 /nfs/dbraw/zinc/45/21/71/690452171.db2.gz VUVCENASIADMEZ-IRXDYDNUSA-N 1 3 319.493 2.194 20 0 DEADHO CC1(C)OC[C@@H](CC[N@@H+]2CCCN(c3ccncc3)CC2)O1 ZINC000878748488 690490616 /nfs/dbraw/zinc/49/06/16/690490616.db2.gz VVCNNRMXYLVQSD-MRXNPFEDSA-N 1 3 305.422 2.135 20 0 DEADHO CC1(C)OC[C@@H](CC[N@H+]2CCCN(c3ccncc3)CC2)O1 ZINC000878748488 690490618 /nfs/dbraw/zinc/49/06/18/690490618.db2.gz VVCNNRMXYLVQSD-MRXNPFEDSA-N 1 3 305.422 2.135 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@H]21 ZINC001036853000 690499396 /nfs/dbraw/zinc/49/93/96/690499396.db2.gz MRCKFHRYIONJPO-IAGOWNOFSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@H]21 ZINC001036853000 690499399 /nfs/dbraw/zinc/49/93/99/690499399.db2.gz MRCKFHRYIONJPO-IAGOWNOFSA-N 1 3 307.482 2.051 20 0 DEADHO CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001037119979 690573523 /nfs/dbraw/zinc/57/35/23/690573523.db2.gz FIQDLORHJZDRQN-IAGOWNOFSA-N 1 3 303.450 2.256 20 0 DEADHO CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CC1CCC1 ZINC001037853653 690624290 /nfs/dbraw/zinc/62/42/90/690624290.db2.gz OBAGWNTVSJARDO-SJORKVTESA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CC(C)C ZINC001037859384 690625717 /nfs/dbraw/zinc/62/57/17/690625717.db2.gz IOXXJIQHWNHRHR-RDJZCZTQSA-N 1 3 309.498 2.343 20 0 DEADHO COc1ccc([C@H]2C[N@H+](CCCn3ccnc3C)CCN2)cc1 ZINC000879521881 690659879 /nfs/dbraw/zinc/65/98/79/690659879.db2.gz ZAVZGBRZYKGCAG-GOSISDBHSA-N 1 3 314.433 2.237 20 0 DEADHO COc1ccc([C@H]2C[N@@H+](CCCn3ccnc3C)CCN2)cc1 ZINC000879521881 690659882 /nfs/dbraw/zinc/65/98/82/690659882.db2.gz ZAVZGBRZYKGCAG-GOSISDBHSA-N 1 3 314.433 2.237 20 0 DEADHO COc1ccc([C@H]2CN(CCCn3ccnc3C)CC[NH2+]2)cc1 ZINC000879521881 690659883 /nfs/dbraw/zinc/65/98/83/690659883.db2.gz ZAVZGBRZYKGCAG-GOSISDBHSA-N 1 3 314.433 2.237 20 0 DEADHO CN1CC[C@@H]2C[N@H+](C[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000879571487 690675985 /nfs/dbraw/zinc/67/59/85/690675985.db2.gz AJKHFKALZBNNKJ-OAGGEKHMSA-N 1 3 323.481 2.269 20 0 DEADHO CN1CC[C@@H]2C[N@@H+](C[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000879571487 690675987 /nfs/dbraw/zinc/67/59/87/690675987.db2.gz AJKHFKALZBNNKJ-OAGGEKHMSA-N 1 3 323.481 2.269 20 0 DEADHO CC(C)N1CCN(CCC[NH2+]C2([C@H]3CCCCO3)CCC2)CC1 ZINC000879733815 690717103 /nfs/dbraw/zinc/71/71/03/690717103.db2.gz AELHJIVMILVWRO-GOSISDBHSA-N 1 3 323.525 2.484 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCC1 ZINC001038239654 690753373 /nfs/dbraw/zinc/75/33/73/690753373.db2.gz MWARYVRRSGCTFS-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CCCC1 ZINC001038239654 690753375 /nfs/dbraw/zinc/75/33/75/690753375.db2.gz MWARYVRRSGCTFS-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H]1CN(C[C@@H](O)Cc2ccccc2)CCN1c1cc[nH+]cc1 ZINC000880259108 690854240 /nfs/dbraw/zinc/85/42/40/690854240.db2.gz MUJXDXMKUZSZNI-LPHOPBHVSA-N 1 3 311.429 2.196 20 0 DEADHO CCCN1CC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038712703 690903645 /nfs/dbraw/zinc/90/36/45/690903645.db2.gz OACKJAHXAZAGAW-KRWDZBQOSA-N 1 3 303.450 2.005 20 0 DEADHO Cc1cc(C)cc(OCCN2CCC(O)(C[NH+](C)C)CC2)c1 ZINC000931487172 694410412 /nfs/dbraw/zinc/41/04/12/694410412.db2.gz UQXVQHJPGKGNNM-UHFFFAOYSA-N 1 3 306.450 2.071 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCN1CC(C)C ZINC001038908136 690962973 /nfs/dbraw/zinc/96/29/73/690962973.db2.gz HYJXCXVYSJORRQ-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCN1CC(C)C ZINC001038908136 690962974 /nfs/dbraw/zinc/96/29/74/690962974.db2.gz HYJXCXVYSJORRQ-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2CCCC2CCCC2)C1 ZINC001039025523 690996347 /nfs/dbraw/zinc/99/63/47/690996347.db2.gz AAVPREGMNSQIBQ-IRXDYDNUSA-N 1 3 307.482 2.099 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2CCCC2CCCC2)C1 ZINC001039025523 690996351 /nfs/dbraw/zinc/99/63/51/690996351.db2.gz AAVPREGMNSQIBQ-IRXDYDNUSA-N 1 3 307.482 2.099 20 0 DEADHO CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039233584 691063297 /nfs/dbraw/zinc/06/32/97/691063297.db2.gz MBKMRQHFCPNZKA-IAGOWNOFSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039233584 691063298 /nfs/dbraw/zinc/06/32/98/691063298.db2.gz MBKMRQHFCPNZKA-IAGOWNOFSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039240494 691065936 /nfs/dbraw/zinc/06/59/36/691065936.db2.gz XFDGTZCNPHIPNL-DOTOQJQBSA-N 1 3 318.465 2.455 20 0 DEADHO CCCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039240494 691065937 /nfs/dbraw/zinc/06/59/37/691065937.db2.gz XFDGTZCNPHIPNL-DOTOQJQBSA-N 1 3 318.465 2.455 20 0 DEADHO CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001040240443 691218361 /nfs/dbraw/zinc/21/83/61/691218361.db2.gz FZHGPSKGVYGNDN-MJGOQNOKSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001040240443 691218363 /nfs/dbraw/zinc/21/83/63/691218363.db2.gz FZHGPSKGVYGNDN-MJGOQNOKSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C(C)C)C2)N(C)C ZINC001040249875 691219937 /nfs/dbraw/zinc/21/99/37/691219937.db2.gz DEORTLXRAGPPOQ-WMZOPIPTSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](C(C)C)C2)N(C)C ZINC001040249875 691219939 /nfs/dbraw/zinc/21/99/39/691219939.db2.gz DEORTLXRAGPPOQ-WMZOPIPTSA-N 1 3 309.498 2.296 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2)N(C)C ZINC001040260694 691222668 /nfs/dbraw/zinc/22/26/68/691222668.db2.gz HMNKEBWAAZMZCI-AEFFLSMTSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2)N(C)C ZINC001040260694 691222669 /nfs/dbraw/zinc/22/26/69/691222669.db2.gz HMNKEBWAAZMZCI-AEFFLSMTSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041359971 691366838 /nfs/dbraw/zinc/36/68/38/691366838.db2.gz WJBVIBGBQALPSN-IBGZPJMESA-N 1 3 319.493 2.361 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041359971 691366842 /nfs/dbraw/zinc/36/68/42/691366842.db2.gz WJBVIBGBQALPSN-IBGZPJMESA-N 1 3 319.493 2.361 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@]2(CC[N@H+](CC3CCC3)C2)C1)N(C)C ZINC001041645686 691404978 /nfs/dbraw/zinc/40/49/78/691404978.db2.gz MFTZCUQGZIHTIY-MJGOQNOKSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CC3CCC3)C2)C1)N(C)C ZINC001041645686 691404980 /nfs/dbraw/zinc/40/49/80/691404980.db2.gz MFTZCUQGZIHTIY-MJGOQNOKSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@]3(CC[N@H+](CCC4CC4)C3)C2)C1 ZINC001041681237 691409493 /nfs/dbraw/zinc/40/94/93/691409493.db2.gz ZLLNJCWECZUCIS-LPHOPBHVSA-N 1 3 319.493 2.053 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@]3(CC[N@@H+](CCC4CC4)C3)C2)C1 ZINC001041681237 691409497 /nfs/dbraw/zinc/40/94/97/691409497.db2.gz ZLLNJCWECZUCIS-LPHOPBHVSA-N 1 3 319.493 2.053 20 0 DEADHO CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001041844674 691444568 /nfs/dbraw/zinc/44/45/68/691444568.db2.gz CPOZGKSZXAIWNK-FUHWJXTLSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001041844674 691444569 /nfs/dbraw/zinc/44/45/69/691444569.db2.gz CPOZGKSZXAIWNK-FUHWJXTLSA-N 1 3 307.482 2.195 20 0 DEADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2ccns2)[C@H](C)C1 ZINC000883248081 691465455 /nfs/dbraw/zinc/46/54/55/691465455.db2.gz GXYKPGQNRCSKJW-GDBMZVCRSA-N 1 3 311.495 2.412 20 0 DEADHO CCOCCC[N@H+]1CC[C@@H](NCCc2ccns2)[C@H](C)C1 ZINC000883248081 691465456 /nfs/dbraw/zinc/46/54/56/691465456.db2.gz GXYKPGQNRCSKJW-GDBMZVCRSA-N 1 3 311.495 2.412 20 0 DEADHO O[C@@H](C[NH2+]C1CCN(CC2CC2)CC1)C(F)(F)C(F)(F)F ZINC000883360266 691488981 /nfs/dbraw/zinc/48/89/81/691488981.db2.gz YUJZOGSUOHLRIK-NSHDSACASA-N 1 3 316.314 2.009 20 0 DEADHO CCC[N@H+](C[C@@H]1CCC2(CCOCC2)CO1)C1CCNCC1 ZINC000883424154 691505401 /nfs/dbraw/zinc/50/54/01/691505401.db2.gz IFJWYFWEQPESGQ-KRWDZBQOSA-N 1 3 310.482 2.426 20 0 DEADHO CCC[N@@H+](C[C@@H]1CCC2(CCOCC2)CO1)C1CCNCC1 ZINC000883424154 691505405 /nfs/dbraw/zinc/50/54/05/691505405.db2.gz IFJWYFWEQPESGQ-KRWDZBQOSA-N 1 3 310.482 2.426 20 0 DEADHO CCCN(C[C@@H]1CCC2(CCOCC2)CO1)C1CC[NH2+]CC1 ZINC000883424154 691505409 /nfs/dbraw/zinc/50/54/09/691505409.db2.gz IFJWYFWEQPESGQ-KRWDZBQOSA-N 1 3 310.482 2.426 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@H]21 ZINC001042187133 691531750 /nfs/dbraw/zinc/53/17/50/691531750.db2.gz LWJJUOMNBUUWPD-IAGOWNOFSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@H]21 ZINC001042187133 691531752 /nfs/dbraw/zinc/53/17/52/691531752.db2.gz LWJJUOMNBUUWPD-IAGOWNOFSA-N 1 3 321.509 2.440 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)[C@H]([NH3+])CC2CC2)N(C)C)cc1 ZINC000884178050 691674912 /nfs/dbraw/zinc/67/49/12/691674912.db2.gz BLILZGIZWYOHQL-IAGOWNOFSA-N 1 3 303.450 2.095 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@H]1C[NH2+]CC1(C)C)c1ccsc1 ZINC000884188886 691677655 /nfs/dbraw/zinc/67/76/55/691677655.db2.gz RLSZCKRXJBEXPZ-CABCVRRESA-N 1 3 323.506 2.493 20 0 DEADHO N[C@@H](CC1CC1)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000884196839 691679347 /nfs/dbraw/zinc/67/93/47/691679347.db2.gz CQCOKMHHBKBDOK-KRWDZBQOSA-N 1 3 307.482 2.228 20 0 DEADHO N[C@@H](CC1CC1)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000884196839 691679349 /nfs/dbraw/zinc/67/93/49/691679349.db2.gz CQCOKMHHBKBDOK-KRWDZBQOSA-N 1 3 307.482 2.228 20 0 DEADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H](N)CC2CC2)c1 ZINC000884200816 691680350 /nfs/dbraw/zinc/68/03/50/691680350.db2.gz KKXJZAWQESJWHK-QGZVFWFLSA-N 1 3 303.450 2.270 20 0 DEADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H](N)CC2CC2)c1 ZINC000884200816 691680352 /nfs/dbraw/zinc/68/03/52/691680352.db2.gz KKXJZAWQESJWHK-QGZVFWFLSA-N 1 3 303.450 2.270 20 0 DEADHO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000884306091 691705833 /nfs/dbraw/zinc/70/58/33/691705833.db2.gz SOESFVCWHRRFDF-MRXNPFEDSA-N 1 3 309.498 2.473 20 0 DEADHO N[C@@H](CC1CC1)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000884312757 691706825 /nfs/dbraw/zinc/70/68/25/691706825.db2.gz MXWBNEASDHFLJJ-KRWDZBQOSA-N 1 3 301.434 2.391 20 0 DEADHO CN(C)C[C@@H](NC(=O)[C@H]([NH3+])CC1CC1)c1ccc(Cl)cc1 ZINC000884313168 691707478 /nfs/dbraw/zinc/70/74/78/691707478.db2.gz XXJSWOZNOYVNDM-HUUCEWRRSA-N 1 3 309.841 2.186 20 0 DEADHO C[NH2+][C@@H](CC(C)C)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000884314843 691707886 /nfs/dbraw/zinc/70/78/86/691707886.db2.gz XTVQOQYKJWIMFX-HNNXBMFYSA-N 1 3 311.495 2.272 20 0 DEADHO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)[C@H](N)CC1CC1 ZINC000884435998 691738083 /nfs/dbraw/zinc/73/80/83/691738083.db2.gz QJAVZQKMEBTMNG-JFIYKMOQSA-N 1 3 313.445 2.257 20 0 DEADHO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)[C@H](N)CC1CC1 ZINC000884435998 691738088 /nfs/dbraw/zinc/73/80/88/691738088.db2.gz QJAVZQKMEBTMNG-JFIYKMOQSA-N 1 3 313.445 2.257 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@H]([NH3+])CC1CC1 ZINC000884435998 691738090 /nfs/dbraw/zinc/73/80/90/691738090.db2.gz QJAVZQKMEBTMNG-JFIYKMOQSA-N 1 3 313.445 2.257 20 0 DEADHO C[C@@H](C[NH2+][C@@H]1CCOC2(CCOCC2)C1)CN1CCCCC1 ZINC000885927796 691964563 /nfs/dbraw/zinc/96/45/63/691964563.db2.gz YHFSRMVDRRZQLO-DLBZAZTESA-N 1 3 310.482 2.426 20 0 DEADHO OC[C@@H](C[C@H]1CCCO1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000886224027 692029299 /nfs/dbraw/zinc/02/92/99/692029299.db2.gz UQRQBQAXDMBJIE-SJLPKXTDSA-N 1 3 310.482 2.303 20 0 DEADHO OC[C@@H](C[C@H]1CCCO1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000886224027 692029302 /nfs/dbraw/zinc/02/93/02/692029302.db2.gz UQRQBQAXDMBJIE-SJLPKXTDSA-N 1 3 310.482 2.303 20 0 DEADHO Cc1cc(CN2CC[C@](C)(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cs1 ZINC001046831977 692310931 /nfs/dbraw/zinc/31/09/31/692310931.db2.gz TZEZZEJXVXOOME-RDJZCZTQSA-N 1 3 321.490 2.089 20 0 DEADHO Cc1cc(CN2CC[C@](C)(NC(=O)[C@H]3CC[N@H+](C)C3)C2)cs1 ZINC001046831977 692310934 /nfs/dbraw/zinc/31/09/34/692310934.db2.gz TZEZZEJXVXOOME-RDJZCZTQSA-N 1 3 321.490 2.089 20 0 DEADHO CC(C)(C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CC1)C2)N1CCCC1 ZINC001047125247 692376840 /nfs/dbraw/zinc/37/68/40/692376840.db2.gz BLLGNWXTIJYXGB-BBWFWOEESA-N 1 3 319.493 2.240 20 0 DEADHO CC(C)(C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CC1)C2)N1CCCC1 ZINC001047125247 692376844 /nfs/dbraw/zinc/37/68/44/692376844.db2.gz BLLGNWXTIJYXGB-BBWFWOEESA-N 1 3 319.493 2.240 20 0 DEADHO C[C@@]1([C@H]2CCCN(CCC[NH+]3CCCCC3)C2)COC(=O)N1 ZINC000932020188 694529109 /nfs/dbraw/zinc/52/91/09/694529109.db2.gz HOFSDJPRASLODL-RDJZCZTQSA-N 1 3 309.454 2.073 20 0 DEADHO C[C@]1([C@H]2CCCN(CCC[NH+]3CCCCC3)C2)COC(=O)N1 ZINC000932020186 694529127 /nfs/dbraw/zinc/52/91/27/694529127.db2.gz HOFSDJPRASLODL-DOTOQJQBSA-N 1 3 309.454 2.073 20 0 DEADHO C[C@H]([NH2+]Cc1ccccc1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048056847 692539902 /nfs/dbraw/zinc/53/99/02/692539902.db2.gz BIDOYGUAHMCJTM-WMZOPIPTSA-N 1 3 315.461 2.109 20 0 DEADHO CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCN1C(C)C)C2 ZINC001048527470 692639433 /nfs/dbraw/zinc/63/94/33/692639433.db2.gz PYCGQQHYOIVVLH-YYIAUSFCSA-N 1 3 307.482 2.238 20 0 DEADHO CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCN1C(C)C)C2 ZINC001048527470 692639435 /nfs/dbraw/zinc/63/94/35/692639435.db2.gz PYCGQQHYOIVVLH-YYIAUSFCSA-N 1 3 307.482 2.238 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001049534931 692914923 /nfs/dbraw/zinc/91/49/23/692914923.db2.gz XOOXXVBQGSQZNB-ZACQAIPSSA-N 1 3 309.498 2.294 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001049534931 692914927 /nfs/dbraw/zinc/91/49/27/692914927.db2.gz XOOXXVBQGSQZNB-ZACQAIPSSA-N 1 3 309.498 2.294 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CC1)N(C)C ZINC001049535232 692915497 /nfs/dbraw/zinc/91/54/97/692915497.db2.gz ZGWGWJGRWNFNJJ-ULQDDVLXSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CC1)N(C)C ZINC001049535232 692915500 /nfs/dbraw/zinc/91/55/00/692915500.db2.gz ZGWGWJGRWNFNJJ-ULQDDVLXSA-N 1 3 307.482 2.048 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C1CC1)N1CCCC1 ZINC001049610954 692940601 /nfs/dbraw/zinc/94/06/01/692940601.db2.gz CBCXHELAMZXSQR-KZNAEPCWSA-N 1 3 319.493 2.336 20 0 DEADHO CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C1CC1)N1CCCC1 ZINC001049610954 692940603 /nfs/dbraw/zinc/94/06/03/692940603.db2.gz CBCXHELAMZXSQR-KZNAEPCWSA-N 1 3 319.493 2.336 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001049713305 692972393 /nfs/dbraw/zinc/97/23/93/692972393.db2.gz XOOXXVBQGSQZNB-GVDBMIGSSA-N 1 3 309.498 2.294 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001049713305 692972397 /nfs/dbraw/zinc/97/23/97/692972397.db2.gz XOOXXVBQGSQZNB-GVDBMIGSSA-N 1 3 309.498 2.294 20 0 DEADHO CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CC1)c1c[nH]cn1 ZINC001049848717 693020906 /nfs/dbraw/zinc/02/09/06/693020906.db2.gz LHQREKUXVRBSJG-HUUCEWRRSA-N 1 3 316.449 2.163 20 0 DEADHO CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CC1)c1c[nH]cn1 ZINC001049848717 693020909 /nfs/dbraw/zinc/02/09/09/693020909.db2.gz LHQREKUXVRBSJG-HUUCEWRRSA-N 1 3 316.449 2.163 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001050560856 693206919 /nfs/dbraw/zinc/20/69/19/693206919.db2.gz JXWOCWNPEMXUIU-HZPDHXFCSA-N 1 3 309.498 2.297 20 0 DEADHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCc2ccc(CS(C)(=O)=O)cc2)C1 ZINC000925484339 693280677 /nfs/dbraw/zinc/28/06/77/693280677.db2.gz DYOKTBCGKKADIO-JKSUJKDBSA-N 1 3 324.490 2.227 20 0 DEADHO Cc1ccoc1C(=O)NCCC[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925581010 693302480 /nfs/dbraw/zinc/30/24/80/693302480.db2.gz PLSCYFFOETTWOT-KBMXLJTQSA-N 1 3 319.449 2.074 20 0 DEADHO CC(C)c1nc2n(n1)C[C@@H](N[C@H]1[C@@H]3CCC[NH2+][C@@H]3C1(C)C)CC2 ZINC000925620810 693309907 /nfs/dbraw/zinc/30/99/07/693309907.db2.gz IEXGUYGSDNVKCO-XRGAULLZSA-N 1 3 317.481 2.083 20 0 DEADHO CC1(C)[C@H](NC[C@H]2CCC3(CCOCC3)CO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925735817 693331782 /nfs/dbraw/zinc/33/17/82/693331782.db2.gz IOYWHHMTUQRUIH-WCXIOVBPSA-N 1 3 322.493 2.328 20 0 DEADHO C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc2c(c1)OCCO2 ZINC000925780039 693340747 /nfs/dbraw/zinc/34/07/47/693340747.db2.gz QUDAYCNLCZPBNO-WCQYABFASA-N 1 3 312.360 2.353 20 0 DEADHO CC1(C)C[C@@H]([NH2+]CCc2ccccc2S(C)(=O)=O)C[C@@H](N)C1 ZINC000925828880 693348822 /nfs/dbraw/zinc/34/88/22/693348822.db2.gz JJKITOREYJYNHN-CABCVRRESA-N 1 3 324.490 2.128 20 0 DEADHO CC1(C)C[C@@H](NCCc2ccccc2S(C)(=O)=O)C[C@@H]([NH3+])C1 ZINC000925828880 693348826 /nfs/dbraw/zinc/34/88/26/693348826.db2.gz JJKITOREYJYNHN-CABCVRRESA-N 1 3 324.490 2.128 20 0 DEADHO Cc1nc([C@@H](C)NCCCCCN2CC[NH2+]CC2)c(C)s1 ZINC000925846221 693352394 /nfs/dbraw/zinc/35/23/94/693352394.db2.gz SYULJNUNHQFGEF-CYBMUJFWSA-N 1 3 310.511 2.486 20 0 DEADHO COC1(OC)CC[C@H]1[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000926636296 693483619 /nfs/dbraw/zinc/48/36/19/693483619.db2.gz STJSOSCGYVRRKU-IXDOHACOSA-N 1 3 304.434 2.073 20 0 DEADHO CC[N@@H+]1CCC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052701355 693599641 /nfs/dbraw/zinc/59/96/41/693599641.db2.gz DNDGULBPPGWQDA-YOEHRIQHSA-N 1 3 313.461 2.190 20 0 DEADHO CC[N@H+]1CCC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052701355 693599644 /nfs/dbraw/zinc/59/96/44/693599644.db2.gz DNDGULBPPGWQDA-YOEHRIQHSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CCC[N@H+](CC2CCC2)CC1 ZINC001052716490 693601937 /nfs/dbraw/zinc/60/19/37/693601937.db2.gz NKPRURFSUFPOTL-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC001052716490 693601938 /nfs/dbraw/zinc/60/19/38/693601938.db2.gz NKPRURFSUFPOTL-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001052897232 693643824 /nfs/dbraw/zinc/64/38/24/693643824.db2.gz HPUUSULKQPCRJO-ZFWWWQNUSA-N 1 3 306.454 2.277 20 0 DEADHO CC[C@H](C)C[N@H+]1CCC[C@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001052897232 693643827 /nfs/dbraw/zinc/64/38/27/693643827.db2.gz HPUUSULKQPCRJO-ZFWWWQNUSA-N 1 3 306.454 2.277 20 0 DEADHO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)CC1 ZINC001052958410 693656921 /nfs/dbraw/zinc/65/69/21/693656921.db2.gz NRDGGVNBYXYDHO-MRXNPFEDSA-N 1 3 303.450 2.352 20 0 DEADHO CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)CC1 ZINC001052958410 693656925 /nfs/dbraw/zinc/65/69/25/693656925.db2.gz NRDGGVNBYXYDHO-MRXNPFEDSA-N 1 3 303.450 2.352 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@]1(C)CCC[N@@H+](C(C)C)C1 ZINC001375943506 1159010657 /nfs/dbraw/zinc/01/06/57/1159010657.db2.gz XVRGFODXELJKGO-AEFFLSMTSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@]1(C)CCC[N@H+](C(C)C)C1 ZINC001375943506 1159010668 /nfs/dbraw/zinc/01/06/68/1159010668.db2.gz XVRGFODXELJKGO-AEFFLSMTSA-N 1 3 309.498 2.486 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001402230632 1162298797 /nfs/dbraw/zinc/29/87/97/1162298797.db2.gz GSVQUWISJRODTR-YOIVXCQUSA-N 1 3 313.873 2.051 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001402230632 1162298802 /nfs/dbraw/zinc/29/88/02/1162298802.db2.gz GSVQUWISJRODTR-YOIVXCQUSA-N 1 3 313.873 2.051 20 0 DEADHO CC(C)(C(=O)NCC1CC([NH2+]CC2CCC2)C1)N1CCCC1 ZINC001100562764 1151893928 /nfs/dbraw/zinc/89/39/28/1151893928.db2.gz ZBIDUIAVLPRJPI-UHFFFAOYSA-N 1 3 307.482 2.145 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC001379770200 1152692916 /nfs/dbraw/zinc/69/29/16/1152692916.db2.gz OVPLVHKGISKURM-QAPCUYQASA-N 1 3 317.477 2.452 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001379770200 1152692918 /nfs/dbraw/zinc/69/29/18/1152692918.db2.gz OVPLVHKGISKURM-QAPCUYQASA-N 1 3 317.477 2.452 20 0 DEADHO C[C@@H](CC[NH+](C)C)C(=O)N(CCN(C)C)Cc1ccccc1 ZINC001361707798 1152719772 /nfs/dbraw/zinc/71/97/72/1152719772.db2.gz QJRWXALKBUMDQN-INIZCTEOSA-N 1 3 305.466 2.165 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC001361741641 1152729208 /nfs/dbraw/zinc/72/92/08/1152729208.db2.gz OIIKEPZEFCKEDT-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CN(CCN(C)C)C(=O)c1cccc(CC[NH+](C)C)c1 ZINC001361794245 1152742601 /nfs/dbraw/zinc/74/26/01/1152742601.db2.gz BBQLNVMNVZKCAM-UHFFFAOYSA-N 1 3 319.493 2.451 20 0 DEADHO Cc1ccc(C[NH2+]C2CC(N(C)C(=O)CN(C)C(C)C)C2)cc1 ZINC001380176414 1152762757 /nfs/dbraw/zinc/76/27/57/1152762757.db2.gz UUOQIGGSRUQPTJ-UHFFFAOYSA-N 1 3 317.477 2.414 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@@H+](CCCC3CCC3)C[C@@H]2C1 ZINC001380707347 1152847646 /nfs/dbraw/zinc/84/76/46/1152847646.db2.gz XXGDONZBDBFEOW-HDICACEKSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@H+](CCCC3CCC3)C[C@@H]2C1 ZINC001380707347 1152847647 /nfs/dbraw/zinc/84/76/47/1152847647.db2.gz XXGDONZBDBFEOW-HDICACEKSA-N 1 3 321.509 2.297 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(F)cc2)[C@@H](C)C1 ZINC001381124608 1152918101 /nfs/dbraw/zinc/91/81/01/1152918101.db2.gz SLZVOTADXSFCQB-YOEHRIQHSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@H](NCc1ccccc1F)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001381418949 1153050676 /nfs/dbraw/zinc/05/06/76/1153050676.db2.gz KUTXXXIMYLVLHL-KBPBESRZSA-N 1 3 321.440 2.150 20 0 DEADHO CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)cc1 ZINC001363015939 1153186522 /nfs/dbraw/zinc/18/65/22/1153186522.db2.gz MSBXJUBLGHBCMK-MSOLQXFVSA-N 1 3 315.461 2.305 20 0 DEADHO CC[C@H](F)C[N@H+](C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001381980707 1153302245 /nfs/dbraw/zinc/30/22/45/1153302245.db2.gz YKCTZQJXGQMNOJ-HOCLYGCPSA-N 1 3 315.477 2.244 20 0 DEADHO CC[C@H](F)C[N@@H+](C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001381980707 1153302250 /nfs/dbraw/zinc/30/22/50/1153302250.db2.gz YKCTZQJXGQMNOJ-HOCLYGCPSA-N 1 3 315.477 2.244 20 0 DEADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)NCc1cc2ccccc2o1 ZINC001382113348 1153362097 /nfs/dbraw/zinc/36/20/97/1153362097.db2.gz MBXFELYEHLQRJO-CQSZACIVSA-N 1 3 317.433 2.321 20 0 DEADHO Cc1ccc(F)c(CN[C@H](C)CN(C)C(=O)CC[NH+](C)C)c1 ZINC001382115881 1153363470 /nfs/dbraw/zinc/36/34/70/1153363470.db2.gz QNSDKDJCRQPCLV-CQSZACIVSA-N 1 3 309.429 2.022 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCc1ccccc1)N(C)C ZINC001382164204 1153384449 /nfs/dbraw/zinc/38/44/49/1153384449.db2.gz YJNMSNZMWYDPFJ-AEFFLSMTSA-N 1 3 319.493 2.252 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CCC(C)(C)C)CN1C(=O)CN(C)C1CCC1 ZINC001382301629 1153417234 /nfs/dbraw/zinc/41/72/34/1153417234.db2.gz XTIOESRGIVAWFU-GJZGRUSLSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2ccccc2F)C1)N(C)C ZINC001382587206 1153476573 /nfs/dbraw/zinc/47/65/73/1153476573.db2.gz CTQHPPGNGHFXDX-VMBOVVBDSA-N 1 3 321.440 2.245 20 0 DEADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001363846226 1153664052 /nfs/dbraw/zinc/66/40/52/1153664052.db2.gz CKPUYBFUWPKETR-MJGOQNOKSA-N 1 3 320.477 2.490 20 0 DEADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001363846226 1153664054 /nfs/dbraw/zinc/66/40/54/1153664054.db2.gz CKPUYBFUWPKETR-MJGOQNOKSA-N 1 3 320.477 2.490 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001403028889 1162639275 /nfs/dbraw/zinc/63/92/75/1162639275.db2.gz STZBVZFWPLXOKK-HOTGVXAUSA-N 1 3 317.477 2.462 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001403028899 1162639414 /nfs/dbraw/zinc/63/94/14/1162639414.db2.gz STZBVZFWPLXOKK-JKSUJKDBSA-N 1 3 317.477 2.462 20 0 DEADHO CC[C@@H](F)CN[C@@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001403067801 1162686399 /nfs/dbraw/zinc/68/63/99/1162686399.db2.gz JYURUDPYAAIJBG-XJKSGUPXSA-N 1 3 309.429 2.204 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001389510535 1155357984 /nfs/dbraw/zinc/35/79/84/1155357984.db2.gz NHZXUPZQBRAWII-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001389510535 1155357987 /nfs/dbraw/zinc/35/79/87/1155357987.db2.gz NHZXUPZQBRAWII-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1)N(C)C ZINC001389901725 1155466906 /nfs/dbraw/zinc/46/69/06/1155466906.db2.gz SVXGDMPCLJGZEE-STECZYCISA-N 1 3 321.440 2.464 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001390037088 1155506491 /nfs/dbraw/zinc/50/64/91/1155506491.db2.gz JWCLNSCDXZNUEC-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001390037088 1155506495 /nfs/dbraw/zinc/50/64/95/1155506495.db2.gz JWCLNSCDXZNUEC-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CN(CC(=O)N1CCC[C@H]([N@H+](C)CCCF)C1)CC(C)(C)C ZINC001390618253 1155815271 /nfs/dbraw/zinc/81/52/71/1155815271.db2.gz DSDQOZPMCVPKRV-HNNXBMFYSA-N 1 3 315.477 2.247 20 0 DEADHO CN(CC(=O)N1CCC[C@H]([N@@H+](C)CCCF)C1)CC(C)(C)C ZINC001390618253 1155815272 /nfs/dbraw/zinc/81/52/72/1155815272.db2.gz DSDQOZPMCVPKRV-HNNXBMFYSA-N 1 3 315.477 2.247 20 0 DEADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]C/C=C/Cl ZINC001371463564 1155856476 /nfs/dbraw/zinc/85/64/76/1155856476.db2.gz GCEZYXFUEVUZFZ-LJLILKBBSA-N 1 3 309.841 2.209 20 0 DEADHO CN(CC(=O)NCC[N@@H+](C)CC1CCCCCC1)C1CCC1 ZINC001390765836 1155864182 /nfs/dbraw/zinc/86/41/82/1155864182.db2.gz SMXZLTOVCQMAQA-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CN(CC(=O)NCC[N@H+](C)CC1CCCCCC1)C1CCC1 ZINC001390765836 1155864181 /nfs/dbraw/zinc/86/41/81/1155864181.db2.gz SMXZLTOVCQMAQA-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001371610279 1155884210 /nfs/dbraw/zinc/88/42/10/1155884210.db2.gz DOVZXFWNRJFJEQ-WBVHZDCISA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccns2)C1 ZINC001371659779 1155897051 /nfs/dbraw/zinc/89/70/51/1155897051.db2.gz OTHAYKQOLQXBQN-UONOGXRCSA-N 1 3 324.494 2.000 20 0 DEADHO CCN(CCNC(=O)C12CCC[NH+]1CCC2)Cc1ccccc1 ZINC001390942917 1155999062 /nfs/dbraw/zinc/99/90/62/1155999062.db2.gz NWLCENDZVCSIAY-UHFFFAOYSA-N 1 3 315.461 2.253 20 0 DEADHO C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCCF)N1CCCCCC1 ZINC001391068638 1156082794 /nfs/dbraw/zinc/08/27/94/1156082794.db2.gz MEGLEEPBQJGVEH-HOTGVXAUSA-N 1 3 313.461 2.191 20 0 DEADHO C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CCCF)N1CCCCCC1 ZINC001391068638 1156082797 /nfs/dbraw/zinc/08/27/97/1156082797.db2.gz MEGLEEPBQJGVEH-HOTGVXAUSA-N 1 3 313.461 2.191 20 0 DEADHO C[C@@H]1[C@H](C(=O)NCCN(Cc2ccccc2)C2CC2)CC[N@@H+]1C ZINC001391160363 1156200885 /nfs/dbraw/zinc/20/08/85/1156200885.db2.gz LFINIVPBGMGXTQ-CRAIPNDOSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1[C@H](C(=O)NCCN(Cc2ccccc2)C2CC2)CC[N@H+]1C ZINC001391160363 1156200890 /nfs/dbraw/zinc/20/08/90/1156200890.db2.gz LFINIVPBGMGXTQ-CRAIPNDOSA-N 1 3 315.461 2.107 20 0 DEADHO CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001372682270 1156680020 /nfs/dbraw/zinc/68/00/20/1156680020.db2.gz NURZNHWBXMTSGW-SJORKVTESA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)C[C@@H](C)C[N@H+]1CC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001372682270 1156680030 /nfs/dbraw/zinc/68/00/30/1156680030.db2.gz NURZNHWBXMTSGW-SJORKVTESA-N 1 3 311.514 2.447 20 0 DEADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccc(C)c(F)c1 ZINC001391757570 1156781418 /nfs/dbraw/zinc/78/14/18/1156781418.db2.gz ZQLWCDVPFGIPHI-INIZCTEOSA-N 1 3 323.456 2.459 20 0 DEADHO CC[C@H](C(=O)N(C)CC[NH2+][C@@H](C)c1ccc(F)cc1)N(C)C ZINC001372933032 1156824045 /nfs/dbraw/zinc/82/40/45/1156824045.db2.gz CTICPKSQWSODSL-XJKSGUPXSA-N 1 3 309.429 2.275 20 0 DEADHO C[C@H]([NH2+]C/C=C\Cl)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001372994192 1156834244 /nfs/dbraw/zinc/83/42/44/1156834244.db2.gz NMIDXSMKIIBXCB-HRANCZFISA-N 1 3 313.873 2.050 20 0 DEADHO CCc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001392053701 1156858356 /nfs/dbraw/zinc/85/83/56/1156858356.db2.gz VUVWOVYFVFJSBX-QAPCUYQASA-N 1 3 317.477 2.280 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CCC1)C(C)C ZINC001392220334 1156896188 /nfs/dbraw/zinc/89/61/88/1156896188.db2.gz YCWRUBHRYBZXCQ-SJORKVTESA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC(C[N@H+](C)CCC3CC3)CC2)C1 ZINC001373322017 1156977268 /nfs/dbraw/zinc/97/72/68/1156977268.db2.gz VPRJKVIHTQUIOS-MRXNPFEDSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC(C[N@@H+](C)CCC3CC3)CC2)C1 ZINC001373322017 1156977285 /nfs/dbraw/zinc/97/72/85/1156977285.db2.gz VPRJKVIHTQUIOS-MRXNPFEDSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC(C[N@H+](C)CCC3CC3)CC2)C1 ZINC001373322011 1156978484 /nfs/dbraw/zinc/97/84/84/1156978484.db2.gz VPRJKVIHTQUIOS-INIZCTEOSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC(C[N@@H+](C)CCC3CC3)CC2)C1 ZINC001373322011 1156978497 /nfs/dbraw/zinc/97/84/97/1156978497.db2.gz VPRJKVIHTQUIOS-INIZCTEOSA-N 1 3 321.509 2.299 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCc2c1cccc2F)N(C)C ZINC001392592393 1157180043 /nfs/dbraw/zinc/18/00/43/1157180043.db2.gz DOIXKDBSDHGUBZ-ZLIFDBKOSA-N 1 3 321.440 2.248 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[N@H+](C)Cc1cccc(C)c1)N(C)C ZINC001392670409 1157317804 /nfs/dbraw/zinc/31/78/04/1157317804.db2.gz DEYSJLXFXFTDRF-NVXWUHKLSA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1cccc(C)c1)N(C)C ZINC001392670409 1157317815 /nfs/dbraw/zinc/31/78/15/1157317815.db2.gz DEYSJLXFXFTDRF-NVXWUHKLSA-N 1 3 305.466 2.272 20 0 DEADHO C[C@H](CN(C)Cc1cccc(F)c1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001392684650 1157334354 /nfs/dbraw/zinc/33/43/54/1157334354.db2.gz KDFQDJKZLADNDZ-LSDHHAIUSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@H](CN(C)Cc1cccc(F)c1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001392684650 1157334363 /nfs/dbraw/zinc/33/43/63/1157334363.db2.gz KDFQDJKZLADNDZ-LSDHHAIUSA-N 1 3 321.440 2.104 20 0 DEADHO COc1cccc([C@H](C)N(C)C[C@@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001392685687 1157336423 /nfs/dbraw/zinc/33/64/23/1157336423.db2.gz JQEMNOLCQOPLPE-CABCVRRESA-N 1 3 321.465 2.144 20 0 DEADHO CC[C@H](CNC(=O)[C@@H](CC)N(C)C)[NH2+]Cc1ccccc1F ZINC001373764121 1157348978 /nfs/dbraw/zinc/34/89/78/1157348978.db2.gz SQENGLXEMJYWMQ-GDBMZVCRSA-N 1 3 309.429 2.150 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001392836282 1157458507 /nfs/dbraw/zinc/45/85/07/1157458507.db2.gz OHOPTMSEQKQHSM-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C)C[N@H+]1CC[C@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001392836282 1157458515 /nfs/dbraw/zinc/45/85/15/1157458515.db2.gz OHOPTMSEQKQHSM-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CC4CC4)C[C@@H]3C2)CCC1 ZINC001403398226 1162872239 /nfs/dbraw/zinc/87/22/39/1162872239.db2.gz AYDYZIMVJNMSKG-IXDOHACOSA-N 1 3 319.493 2.097 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](CC4CC4)C[C@@H]3C2)CCC1 ZINC001403398226 1162872240 /nfs/dbraw/zinc/87/22/40/1162872240.db2.gz AYDYZIMVJNMSKG-IXDOHACOSA-N 1 3 319.493 2.097 20 0 DEADHO CC(C)[C@H](C(=O)NCC1([NH2+]CC[C@@H](C)F)CCCC1)N(C)C ZINC001374178423 1157692744 /nfs/dbraw/zinc/69/27/44/1157692744.db2.gz XHFKFFFPFHYTQU-HUUCEWRRSA-N 1 3 315.477 2.339 20 0 DEADHO CC[C@H](F)CN1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001393458468 1157833742 /nfs/dbraw/zinc/83/37/42/1157833742.db2.gz HJXXCJJZFOSCOV-JYJNAYRXSA-N 1 3 313.461 2.142 20 0 DEADHO CC[C@H](F)C[NH2+]C1(CC)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001393679520 1157898383 /nfs/dbraw/zinc/89/83/83/1157898383.db2.gz LFQXVMRUBLAMSR-HNNXBMFYSA-N 1 3 315.477 2.436 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCC2CC2)C1 ZINC001374566847 1157909783 /nfs/dbraw/zinc/90/97/83/1157909783.db2.gz PWWZBHSTJKDVCG-IAGOWNOFSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCC2CC2)C1 ZINC001374566847 1157909792 /nfs/dbraw/zinc/90/97/92/1157909792.db2.gz PWWZBHSTJKDVCG-IAGOWNOFSA-N 1 3 307.482 2.050 20 0 DEADHO C[C@@H](NC(=O)C(C)(C)N1CCCC1)[C@H](C)[NH2+]CCC(F)(F)F ZINC001393964923 1158104454 /nfs/dbraw/zinc/10/44/54/1158104454.db2.gz ULMSGCIEGCPTGU-NWDGAFQWSA-N 1 3 323.403 2.296 20 0 DEADHO Cc1cccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001394010709 1158161292 /nfs/dbraw/zinc/16/12/92/1158161292.db2.gz XREKSBYWZQOIQC-HOTGVXAUSA-N 1 3 305.466 2.318 20 0 DEADHO CCC[N@H+](C)C[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001375107472 1158322080 /nfs/dbraw/zinc/32/20/80/1158322080.db2.gz ZPYUSJJZQHXORA-XJKSGUPXSA-N 1 3 301.450 2.045 20 0 DEADHO CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001375107472 1158322089 /nfs/dbraw/zinc/32/20/89/1158322089.db2.gz ZPYUSJJZQHXORA-XJKSGUPXSA-N 1 3 301.450 2.045 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001375517785 1158798768 /nfs/dbraw/zinc/79/87/68/1158798768.db2.gz HCOAMWHFIMQTKN-HYVNUMGLSA-N 1 3 321.440 2.150 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001375517657 1158799443 /nfs/dbraw/zinc/79/94/43/1158799443.db2.gz GMMBWIQTWRDUDB-UAGQMJEPSA-N 1 3 321.440 2.150 20 0 DEADHO CCC(CC)C[NH2+]C1CC(N(C)C(=O)C2(N(C)C)CCC2)C1 ZINC001394853734 1158814429 /nfs/dbraw/zinc/81/44/29/1158814429.db2.gz KZIQPJMFELQOJS-UHFFFAOYSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H](F)CC[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)N1CCCCC1 ZINC001403547419 1162989760 /nfs/dbraw/zinc/98/97/60/1162989760.db2.gz DEIDHOAPLJYRFS-CABCVRRESA-N 1 3 315.477 2.436 20 0 DEADHO C[C@H](CN(C)C(=O)C(C)(C)N1CCCCC1)[NH2+]CC1CCC1 ZINC001403556657 1162999185 /nfs/dbraw/zinc/99/91/85/1162999185.db2.gz LTEMPFOONFAUEW-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO C[NH+](C)CCCC(=O)NCC1(C)CCN(C/C=C\Cl)CC1 ZINC001375925626 1158987880 /nfs/dbraw/zinc/98/78/80/1158987880.db2.gz WJTIIRKQLQTTTE-UITAMQMPSA-N 1 3 315.889 2.299 20 0 DEADHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CCc1ccc(C)cc1)N(C)C ZINC001403559679 1163002150 /nfs/dbraw/zinc/00/21/50/1163002150.db2.gz BURIRDGUEMZPCN-SJLPKXTDSA-N 1 3 319.493 2.314 20 0 DEADHO CC(C)(C(=O)NC[C@]1(C)CCC[N@H+](CC2CC2)C1)N1CCCC1 ZINC001375948293 1159014042 /nfs/dbraw/zinc/01/40/42/1159014042.db2.gz FVWKCNSKUVENDJ-IBGZPJMESA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)(C(=O)NC[C@]1(C)CCC[N@@H+](CC2CC2)C1)N1CCCC1 ZINC001375948293 1159014053 /nfs/dbraw/zinc/01/40/53/1159014053.db2.gz FVWKCNSKUVENDJ-IBGZPJMESA-N 1 3 321.509 2.489 20 0 DEADHO CCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001375987212 1159036500 /nfs/dbraw/zinc/03/65/00/1159036500.db2.gz GPIRNHQAABOTEJ-KGLIPLIRSA-N 1 3 319.440 2.200 20 0 DEADHO CCCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001375987212 1159036507 /nfs/dbraw/zinc/03/65/07/1159036507.db2.gz GPIRNHQAABOTEJ-KGLIPLIRSA-N 1 3 319.440 2.200 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC12CC[NH+](CC1CC(C)C1)CC2 ZINC001376179297 1159198857 /nfs/dbraw/zinc/19/88/57/1159198857.db2.gz LYJABJDJHZQGSG-JCYILVPMSA-N 1 3 321.509 2.343 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC1CC1)C2 ZINC001376315046 1159332581 /nfs/dbraw/zinc/33/25/81/1159332581.db2.gz PZVBLCMKCLEKHL-BBWFWOEESA-N 1 3 307.482 2.097 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC1CC1)C2 ZINC001376315046 1159332593 /nfs/dbraw/zinc/33/25/93/1159332593.db2.gz PZVBLCMKCLEKHL-BBWFWOEESA-N 1 3 307.482 2.097 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2C)C1 ZINC001376493173 1159475595 /nfs/dbraw/zinc/47/55/95/1159475595.db2.gz HZCBHNXRNOTNLK-CALCHBBNSA-N 1 3 321.440 2.213 20 0 DEADHO Cc1cccc(CN2CCCC[C@@H]2CNC(=O)CC[NH+](C)C)c1 ZINC001376576789 1159563013 /nfs/dbraw/zinc/56/30/13/1159563013.db2.gz JZKKWMAOWMMZDR-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO CN(CC(=O)N1CC2(C1)CC[NH+](CC1CC1)CC2)CC(C)(C)C ZINC001376623166 1159609775 /nfs/dbraw/zinc/60/97/75/1159609775.db2.gz IHAQEXBFVHQNKJ-UHFFFAOYSA-N 1 3 321.509 2.299 20 0 DEADHO Cc1cccc(C[N@@H+](C)CCCN(C)C(=O)Cc2c[nH]cn2)c1 ZINC001376996722 1159869638 /nfs/dbraw/zinc/86/96/38/1159869638.db2.gz QCWPLCDPLTZGOW-UHFFFAOYSA-N 1 3 314.433 2.241 20 0 DEADHO Cc1cccc(C[N@H+](C)CCCN(C)C(=O)Cc2c[nH]cn2)c1 ZINC001376996722 1159869640 /nfs/dbraw/zinc/86/96/40/1159869640.db2.gz QCWPLCDPLTZGOW-UHFFFAOYSA-N 1 3 314.433 2.241 20 0 DEADHO Cc1ccc(F)c(C[NH2+][C@H](C)CCNC(=O)CN(C)C(C)C)c1 ZINC001377102799 1159899932 /nfs/dbraw/zinc/89/99/32/1159899932.db2.gz AVRWHWNXGGTXTH-OAHLLOKOSA-N 1 3 323.456 2.459 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)Cc1ccccc1C ZINC001377162085 1160000435 /nfs/dbraw/zinc/00/04/35/1160000435.db2.gz IITNHSVPSTVMFP-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(C)Cc1ccccc1C ZINC001377162085 1160000445 /nfs/dbraw/zinc/00/04/45/1160000445.db2.gz IITNHSVPSTVMFP-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[N@H+](C)CCCC2CCCC2)C1 ZINC001403681224 1163088402 /nfs/dbraw/zinc/08/84/02/1163088402.db2.gz ILPJWNDBOVCKFF-INIZCTEOSA-N 1 3 309.498 2.347 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[N@@H+](C)CCCC2CCCC2)C1 ZINC001403681224 1163088409 /nfs/dbraw/zinc/08/84/09/1163088409.db2.gz ILPJWNDBOVCKFF-INIZCTEOSA-N 1 3 309.498 2.347 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001377464300 1160393350 /nfs/dbraw/zinc/39/33/50/1160393350.db2.gz VIBXAUFDRCKMJK-MRXNPFEDSA-N 1 3 318.465 2.279 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001377464300 1160393355 /nfs/dbraw/zinc/39/33/55/1160393355.db2.gz VIBXAUFDRCKMJK-MRXNPFEDSA-N 1 3 318.465 2.279 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC001377467577 1160394357 /nfs/dbraw/zinc/39/43/57/1160394357.db2.gz KKPBIFYSFAEBTG-GOSISDBHSA-N 1 3 317.477 2.275 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC001377467577 1160394364 /nfs/dbraw/zinc/39/43/64/1160394364.db2.gz KKPBIFYSFAEBTG-GOSISDBHSA-N 1 3 317.477 2.275 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H]1C[C@H]([NH2+]C/C=C\Cl)C1 ZINC001397675876 1160395114 /nfs/dbraw/zinc/39/51/14/1160395114.db2.gz MSGUYFYCNFXITD-LTCXZVPISA-N 1 3 313.873 2.096 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](CC[C@@H](C)F)C1CC1 ZINC001377565219 1160550224 /nfs/dbraw/zinc/55/02/24/1160550224.db2.gz AILZKFJDRITZIG-GDBMZVCRSA-N 1 3 313.461 2.190 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](CC[C@@H](C)F)C1CC1 ZINC001377565219 1160550236 /nfs/dbraw/zinc/55/02/36/1160550236.db2.gz AILZKFJDRITZIG-GDBMZVCRSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)[NH2+][C@H](CNC(=O)[C@@H](C(C)C)N(C)C)c1ccccc1 ZINC001377693631 1160743082 /nfs/dbraw/zinc/74/30/82/1160743082.db2.gz GQYNCBTVTZTCGQ-IAGOWNOFSA-N 1 3 305.466 2.428 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CCC1CC1 ZINC001398204217 1160817707 /nfs/dbraw/zinc/81/77/07/1160817707.db2.gz KLZNDQIRQNSFCK-DOTOQJQBSA-N 1 3 309.498 2.486 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCC(C)C)C1 ZINC001398283410 1160843360 /nfs/dbraw/zinc/84/33/60/1160843360.db2.gz CPJKNBWSPCRKLC-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001398283410 1160843366 /nfs/dbraw/zinc/84/33/66/1160843366.db2.gz CPJKNBWSPCRKLC-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccsc2)C[C@@H]1C ZINC001403767401 1163156818 /nfs/dbraw/zinc/15/68/18/1163156818.db2.gz ZDXCPFYJXWTKIR-DZGCQCFKSA-N 1 3 309.479 2.169 20 0 DEADHO CC(C)C[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001398566378 1160983810 /nfs/dbraw/zinc/98/38/10/1160983810.db2.gz PUJAYYPZRUBRJI-LUKYLMHMSA-N 1 3 311.514 2.492 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC1CCC2(CC2)CC1 ZINC001399011439 1161188635 /nfs/dbraw/zinc/18/86/35/1161188635.db2.gz BIORVUOTYPYIMM-HZPDHXFCSA-N 1 3 321.509 2.393 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001399123384 1161248122 /nfs/dbraw/zinc/24/81/22/1161248122.db2.gz YTEONBCEIHAYMM-UONOGXRCSA-N 1 3 309.429 2.323 20 0 DEADHO C[C@H](c1cccc(F)c1)N(C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001399573446 1161461729 /nfs/dbraw/zinc/46/17/29/1161461729.db2.gz VRYMOELWKTUXCK-CQSZACIVSA-N 1 3 321.440 2.277 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCC1)N1CCCC1 ZINC001399885436 1161598423 /nfs/dbraw/zinc/59/84/23/1161598423.db2.gz YELRVOOKBRMWJO-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CCC[N@H+]1CC1CCC1)N1CCCC1 ZINC001399885436 1161598426 /nfs/dbraw/zinc/59/84/26/1161598426.db2.gz YELRVOOKBRMWJO-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@@H]2CC[N@H+](CC3CC(C)(C)C3)C2)C1 ZINC001399932206 1161610889 /nfs/dbraw/zinc/61/08/89/1161610889.db2.gz MZOYFNISBRGYEV-HOTGVXAUSA-N 1 3 321.509 2.203 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@@H]2CC[N@@H+](CC3CC(C)(C)C3)C2)C1 ZINC001399932206 1161610891 /nfs/dbraw/zinc/61/08/91/1161610891.db2.gz MZOYFNISBRGYEV-HOTGVXAUSA-N 1 3 321.509 2.203 20 0 DEADHO C[N@@H+]1CC[C@H](CC(=O)NCCN(Cc2ccccc2)C2CC2)C1 ZINC001400033500 1161637813 /nfs/dbraw/zinc/63/78/13/1161637813.db2.gz OPLVEIJREYGNJZ-QGZVFWFLSA-N 1 3 315.461 2.109 20 0 DEADHO C[N@H+]1CC[C@H](CC(=O)NCCN(Cc2ccccc2)C2CC2)C1 ZINC001400033500 1161637815 /nfs/dbraw/zinc/63/78/15/1161637815.db2.gz OPLVEIJREYGNJZ-QGZVFWFLSA-N 1 3 315.461 2.109 20 0 DEADHO CCCN(C)CC(=O)N[C@@]1(C[NH2+]CC2CC2)CCCC[C@@H]1C ZINC001401064150 1161865755 /nfs/dbraw/zinc/86/57/55/1161865755.db2.gz VQPAOIZFBXWQIU-MAUKXSAKSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCCC1 ZINC001401108512 1161875108 /nfs/dbraw/zinc/87/51/08/1161875108.db2.gz MWSVRNWUUHBDDO-NVXWUHKLSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]CC1CCCCC1)N(C)C ZINC001401123819 1161878395 /nfs/dbraw/zinc/87/83/95/1161878395.db2.gz GSWDJLLDZBOTMT-DOTOQJQBSA-N 1 3 311.514 2.495 20 0 DEADHO Cc1cc(C)cc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCN2C)c1 ZINC001401237250 1161900740 /nfs/dbraw/zinc/90/07/40/1161900740.db2.gz BXPGPWNATILGTL-FUHWJXTLSA-N 1 3 317.477 2.334 20 0 DEADHO C[C@H](C[NH2+]CC1CCCCCC1)N(C)C(=O)Cc1c[nH]cn1 ZINC001401240359 1161902045 /nfs/dbraw/zinc/90/20/45/1161902045.db2.gz GMPYQXGDKSHFEX-CQSZACIVSA-N 1 3 306.454 2.359 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CNCc1cc2ccccc2o1 ZINC001401710216 1162086709 /nfs/dbraw/zinc/08/67/09/1162086709.db2.gz GXFAKKPBFFRUGF-AWEZNQCLSA-N 1 3 317.433 2.369 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CNCc1cc2ccccc2o1 ZINC001401710216 1162086713 /nfs/dbraw/zinc/08/67/13/1162086713.db2.gz GXFAKKPBFFRUGF-AWEZNQCLSA-N 1 3 317.433 2.369 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[N@H+](C)CCc1ccccc1)N(C)C ZINC001401767401 1162117780 /nfs/dbraw/zinc/11/77/80/1162117780.db2.gz VNDYTYYWAYJNGL-NVXWUHKLSA-N 1 3 305.466 2.006 20 0 DEADHO CC(C)[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C1CC1 ZINC001401872293 1162161570 /nfs/dbraw/zinc/16/15/70/1162161570.db2.gz NXESSBYVCHPZBN-IAGOWNOFSA-N 1 3 309.498 2.390 20 0 DEADHO CCC[NH+]1CCC(C2(NC(=O)CN3CC[C@@H](C)C3)CC2)CC1 ZINC001404022520 1163382566 /nfs/dbraw/zinc/38/25/66/1163382566.db2.gz VZUHYXPBQPNUCG-OAHLLOKOSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1CN(Cc2ccccc2)C1 ZINC001404929382 1163862203 /nfs/dbraw/zinc/86/22/03/1163862203.db2.gz JWJNWZAOEFTUQH-HOTGVXAUSA-N 1 3 315.461 2.107 20 0 DEADHO CC(C)(C(=O)NCC1([NH2+]CCF)CCCC1)N1CCCCC1 ZINC001405763165 1164226426 /nfs/dbraw/zinc/22/64/26/1164226426.db2.gz RATQKBQGFOSBDJ-UHFFFAOYSA-N 1 3 313.461 2.239 20 0 DEADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001405918791 1164334846 /nfs/dbraw/zinc/33/48/46/1164334846.db2.gz ORHNFGARZCBING-KBPBESRZSA-N 1 3 319.440 2.199 20 0 DEADHO CC(C)[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]CC1CCCC1 ZINC001406043477 1164405013 /nfs/dbraw/zinc/40/50/13/1164405013.db2.gz PNGIGJOWYRLVRP-SJORKVTESA-N 1 3 311.514 2.493 20 0 DEADHO Cc1ccc(CN(C)CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)cc1C ZINC001406165132 1164487538 /nfs/dbraw/zinc/48/75/38/1164487538.db2.gz MMOFPGDMYGTQFO-GOSISDBHSA-N 1 3 317.477 2.145 20 0 DEADHO Cc1ccc(CN(C)CCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)cc1C ZINC001406165132 1164487543 /nfs/dbraw/zinc/48/75/43/1164487543.db2.gz MMOFPGDMYGTQFO-GOSISDBHSA-N 1 3 317.477 2.145 20 0 DEADHO CCCN(C)CC(=O)N(CC)CC[NH2+][C@@H]1CCc2ccccc21 ZINC001406334902 1164538998 /nfs/dbraw/zinc/53/89/98/1164538998.db2.gz CMMKWNUKBVZXEB-GOSISDBHSA-N 1 3 317.477 2.454 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[N@H+](C)Cc1ccc(F)cc1C ZINC001406694414 1164797158 /nfs/dbraw/zinc/79/71/58/1164797158.db2.gz OZKUMZKJPVUFTK-OAHLLOKOSA-N 1 3 323.456 2.412 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(F)cc1C ZINC001406694414 1164797165 /nfs/dbraw/zinc/79/71/65/1164797165.db2.gz OZKUMZKJPVUFTK-OAHLLOKOSA-N 1 3 323.456 2.412 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[N@H+](C)CC1CC2(CCC2)C1 ZINC001406704930 1164803723 /nfs/dbraw/zinc/80/37/23/1164803723.db2.gz XJOLXXILHSXXQJ-ZDUSSCGKSA-N 1 3 318.465 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[N@@H+](C)CC1CC2(CCC2)C1 ZINC001406704930 1164803725 /nfs/dbraw/zinc/80/37/25/1164803725.db2.gz XJOLXXILHSXXQJ-ZDUSSCGKSA-N 1 3 318.465 2.277 20 0 DEADHO C[C@@H](F)CC[N@H+](C)C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001408353356 1165609908 /nfs/dbraw/zinc/60/99/08/1165609908.db2.gz VOYSTOIPCXXNDJ-HUUCEWRRSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@@H](F)CC[N@@H+](C)C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001408353356 1165609914 /nfs/dbraw/zinc/60/99/14/1165609914.db2.gz VOYSTOIPCXXNDJ-HUUCEWRRSA-N 1 3 313.461 2.142 20 0 DEADHO COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[C@@H]3CN(C)C[C@H]13)C2 ZINC001414193534 1165739154 /nfs/dbraw/zinc/73/91/54/1165739154.db2.gz GPHUUFONZZLPKC-MXSMSXNCSA-N 1 3 300.446 2.482 20 0 DEADHO CC(C)(C)CC[C@H]([NH3+])CNCC(C)(C)[C@]1(O)CCCOC1 ZINC001575131404 1166865713 /nfs/dbraw/zinc/86/57/13/1166865713.db2.gz UJOSYJXCEMLOTO-YOEHRIQHSA-N 1 3 300.487 2.297 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001417762083 1167195294 /nfs/dbraw/zinc/19/52/94/1167195294.db2.gz LQMNAHURDVVEPX-LVQVYYBASA-N 1 3 313.461 2.092 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1)N(C)C ZINC001417777542 1167207283 /nfs/dbraw/zinc/20/72/83/1167207283.db2.gz LJSLKDPJRRAXLT-IXDOHACOSA-N 1 3 303.450 2.011 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001417801925 1167223669 /nfs/dbraw/zinc/22/36/69/1167223669.db2.gz RGDWNOXRWXYGAQ-UYTYNIKBSA-N 1 3 321.509 2.249 20 0 DEADHO CC[C@H](F)C[NH2+][C@H]1CCCCCN(C(=O)CN(C)C(C)C)C1 ZINC001417839840 1167247828 /nfs/dbraw/zinc/24/78/28/1167247828.db2.gz ZRCKBDOGHHSGQO-HOTGVXAUSA-N 1 3 315.477 2.436 20 0 DEADHO CC[C@H](F)C[NH2+][C@@H]1CCCCCN(C(=O)CN(C)C(C)C)C1 ZINC001417839842 1167249191 /nfs/dbraw/zinc/24/91/91/1167249191.db2.gz ZRCKBDOGHHSGQO-JKSUJKDBSA-N 1 3 315.477 2.436 20 0 DEADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCN(C2CC2)C1 ZINC001417883746 1167280807 /nfs/dbraw/zinc/28/08/07/1167280807.db2.gz MFKYPJRMIKISLJ-ZMSDIMECSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)(C(=O)NC[C@H]([NH2+]C/C=C\Cl)C1CC1)N1CCCC1 ZINC001417993210 1167350232 /nfs/dbraw/zinc/35/02/32/1167350232.db2.gz QHPRPIGENGTJTN-PODYEWJSSA-N 1 3 313.873 2.098 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001418046426 1167380412 /nfs/dbraw/zinc/38/04/12/1167380412.db2.gz XMTYNANKDNOYCM-SFHVURJKSA-N 1 3 317.477 2.336 20 0 DEADHO C[C@@H](F)CC[NH2+][C@@H](C)CCNC(=O)C(C)(C)N1CCCCC1 ZINC001418397732 1167626661 /nfs/dbraw/zinc/62/66/61/1167626661.db2.gz UQVZSGLQLUMUMJ-CABCVRRESA-N 1 3 315.477 2.483 20 0 DEADHO C[C@@H](F)CC[NH2+][C@H](C)CCNC(=O)C(C)(C)N1CCCCC1 ZINC001418397740 1167626840 /nfs/dbraw/zinc/62/68/40/1167626840.db2.gz UQVZSGLQLUMUMJ-HUUCEWRRSA-N 1 3 315.477 2.483 20 0 DEADHO Cc1cc(C)cc(C[N@@H+](C)CCNC(=O)CN2CC[C@H](C)C2)c1 ZINC001418495491 1167717782 /nfs/dbraw/zinc/71/77/82/1167717782.db2.gz OXIHAOVSJAYBRV-HNNXBMFYSA-N 1 3 317.477 2.193 20 0 DEADHO Cc1cc(C)cc(C[N@H+](C)CCNC(=O)CN2CC[C@H](C)C2)c1 ZINC001418495491 1167717795 /nfs/dbraw/zinc/71/77/95/1167717795.db2.gz OXIHAOVSJAYBRV-HNNXBMFYSA-N 1 3 317.477 2.193 20 0 DEADHO Cc1cccc([C@H](C)N(C)CCNC(=O)CCC[NH+](C)C)c1 ZINC001418495807 1167718677 /nfs/dbraw/zinc/71/86/77/1167718677.db2.gz QVAVCKZERLJRIA-INIZCTEOSA-N 1 3 305.466 2.446 20 0 DEADHO Cc1cccc(CN(C)CCNC(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC001418517068 1167752240 /nfs/dbraw/zinc/75/22/40/1167752240.db2.gz SRONERUEUHMNLM-KRWDZBQOSA-N 1 3 305.466 2.129 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2F)C1 ZINC001418707150 1167899719 /nfs/dbraw/zinc/89/97/19/1167899719.db2.gz ZGLASIVTDWXQCG-KOMQPUFPSA-N 1 3 321.440 2.152 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001418908376 1168058777 /nfs/dbraw/zinc/05/87/77/1168058777.db2.gz OBJFKCLJMZDMKZ-SJORKVTESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](C(C)C)C1 ZINC001418908376 1168058782 /nfs/dbraw/zinc/05/87/82/1168058782.db2.gz OBJFKCLJMZDMKZ-SJORKVTESA-N 1 3 309.498 2.486 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN(C)C3CCC3)C2)cc1 ZINC001419477568 1168520580 /nfs/dbraw/zinc/52/05/80/1168520580.db2.gz ZIBGEUAUHJTMDB-CALCHBBNSA-N 1 3 315.461 2.216 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]([NH2+]C/C=C/Cl)C(C)C ZINC001419878076 1168887412 /nfs/dbraw/zinc/88/74/12/1168887412.db2.gz MUKFAJZMIIETSJ-VKGGURKZSA-N 1 3 315.889 2.344 20 0 DEADHO Cc1cc(F)ccc1C[NH2+][C@@H](C)CNC(=O)CN(C)C(C)C ZINC001419929770 1168949784 /nfs/dbraw/zinc/94/97/84/1168949784.db2.gz BPGVWZOAMIZYSG-AWEZNQCLSA-N 1 3 309.429 2.069 20 0 DEADHO CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001419994589 1169043841 /nfs/dbraw/zinc/04/38/41/1169043841.db2.gz OAJVBZGHUWHWGU-RDJZCZTQSA-N 1 3 309.498 2.203 20 0 DEADHO CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001419994576 1169044687 /nfs/dbraw/zinc/04/46/87/1169044687.db2.gz OAJVBZGHUWHWGU-DOTOQJQBSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)C[C@H](C)C[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001420008218 1169054745 /nfs/dbraw/zinc/05/47/45/1169054745.db2.gz DSEJISHQASDDBO-DLBZAZTESA-N 1 3 309.498 2.203 20 0 DEADHO Cc1cc(C)cc(CN(C)CCNC(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC001420338411 1169375523 /nfs/dbraw/zinc/37/55/23/1169375523.db2.gz HNEKYSISGLPVHR-SFHVURJKSA-N 1 3 319.493 2.438 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CCC[N@@H+]1CCCF)N1CCCCC1 ZINC001420579797 1169809805 /nfs/dbraw/zinc/80/98/05/1169809805.db2.gz JCOYYRIMDCLYAE-HNNXBMFYSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CCC[N@H+]1CCCF)N1CCCCC1 ZINC001420579797 1169809806 /nfs/dbraw/zinc/80/98/06/1169809806.db2.gz JCOYYRIMDCLYAE-HNNXBMFYSA-N 1 3 313.461 2.191 20 0 DEADHO C[C@@H](NCCN(C)C(=O)C1(C[NH+](C)C)CC1)c1ccccc1F ZINC001420721447 1171083847 /nfs/dbraw/zinc/08/38/47/1171083847.db2.gz DDHLPVLPQVJHNP-CQSZACIVSA-N 1 3 321.440 2.277 20 0 DEADHO CN(CC(=O)N1CC[C@@](C)(C[NH2+]CC2CCCC2)C1)C1CCC1 ZINC001421237174 1171622971 /nfs/dbraw/zinc/62/29/71/1171622971.db2.gz DZPUTCDFUHMEMC-IBGZPJMESA-N 1 3 321.509 2.489 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccccc2C)C1 ZINC001421245507 1171633161 /nfs/dbraw/zinc/63/31/61/1171633161.db2.gz LCMRKBIOCYUKKK-KRWDZBQOSA-N 1 3 303.450 2.027 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccccc2C)C1 ZINC001421245507 1171633170 /nfs/dbraw/zinc/63/31/70/1171633170.db2.gz LCMRKBIOCYUKKK-KRWDZBQOSA-N 1 3 303.450 2.027 20 0 DEADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(C)cc1 ZINC001421425634 1171791519 /nfs/dbraw/zinc/79/15/19/1171791519.db2.gz PSSUADYJSFLNDU-KRWDZBQOSA-N 1 3 317.477 2.464 20 0 DEADHO CC[C@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1ccccc1F ZINC001421473504 1171814403 /nfs/dbraw/zinc/81/44/03/1171814403.db2.gz SQENGLXEMJYWMQ-ZBFHGGJFSA-N 1 3 309.429 2.150 20 0 DEADHO C[C@H](C[NH2+]Cc1cccc(F)c1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001421945787 1172167695 /nfs/dbraw/zinc/16/76/95/1172167695.db2.gz PEARMJRBYBQHDI-HUUCEWRRSA-N 1 3 321.440 2.104 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001422042466 1172250867 /nfs/dbraw/zinc/25/08/67/1172250867.db2.gz DXSPECXOMQMELG-PBHICJAKSA-N 1 3 321.440 2.104 20 0 DEADHO CC(C)[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)NCCF ZINC001422122549 1172321316 /nfs/dbraw/zinc/32/13/16/1172321316.db2.gz HETOUZMRRUGOGM-HNNXBMFYSA-N 1 3 315.477 2.198 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CCN1CCC(F)(F)F ZINC001422134875 1172332118 /nfs/dbraw/zinc/33/21/18/1172332118.db2.gz WSVDFVDSJFCKID-STQMWFEESA-N 1 3 323.403 2.250 20 0 DEADHO Cc1ccccc1CN(C)CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001422235361 1172421712 /nfs/dbraw/zinc/42/17/12/1172421712.db2.gz ZHVOWHGZAMUCHA-KRWDZBQOSA-N 1 3 317.477 2.227 20 0 DEADHO Cc1ccccc1CN(C)CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001422235361 1172421716 /nfs/dbraw/zinc/42/17/16/1172421716.db2.gz ZHVOWHGZAMUCHA-KRWDZBQOSA-N 1 3 317.477 2.227 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001422553743 1172703114 /nfs/dbraw/zinc/70/31/14/1172703114.db2.gz PNJZAEGXMFAZHP-PWSUYJOCSA-N 1 3 317.886 2.336 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCc2cccs2)[C@H]1C ZINC001423327254 1173246717 /nfs/dbraw/zinc/24/67/17/1173246717.db2.gz LWXNSWQBHNIPGQ-ZBFHGGJFSA-N 1 3 323.506 2.211 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)[C@H]1C ZINC001423329778 1173247606 /nfs/dbraw/zinc/24/76/06/1173247606.db2.gz PCBIEFWDUFWPMP-ZBFHGGJFSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001423385095 1173320717 /nfs/dbraw/zinc/32/07/17/1173320717.db2.gz XQENRVGCOKEOPH-SFHVURJKSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001423385095 1173320721 /nfs/dbraw/zinc/32/07/21/1173320721.db2.gz XQENRVGCOKEOPH-SFHVURJKSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C1CC[NH+](CC[C@@H](C)F)CC1)N(C)C ZINC001423655065 1173469062 /nfs/dbraw/zinc/46/90/62/1173469062.db2.gz HBQVHKHJGXTTQY-YCPHGPKFSA-N 1 3 315.477 2.291 20 0 DEADHO CC[C@H](F)C[NH+]1CCC([C@@H](C)NC(=O)CN(C)C(C)C)CC1 ZINC001423655912 1173470310 /nfs/dbraw/zinc/47/03/10/1173470310.db2.gz OWTRLHOGUUXNIG-ZBFHGGJFSA-N 1 3 315.477 2.291 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)C2CC([NH2+]CCC(C)(C)C)C2)C1 ZINC001423695135 1173496242 /nfs/dbraw/zinc/49/62/42/1173496242.db2.gz MMFOGZWPWBOROC-QQFBHYJXSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC(C)([NH2+]C/C=C\Cl)CC2)C1 ZINC001424489762 1173808386 /nfs/dbraw/zinc/80/83/86/1173808386.db2.gz HZQZSEQMYWAWBC-UMSKNGNOSA-N 1 3 313.873 2.051 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](CC[C@@H](C)F)CC1(C)C ZINC001424514975 1173816892 /nfs/dbraw/zinc/81/68/92/1173816892.db2.gz RYVDRJMKGLXAPN-HUUCEWRRSA-N 1 3 315.477 2.293 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](CC[C@@H](C)F)CC1(C)C ZINC001424514975 1173816896 /nfs/dbraw/zinc/81/68/96/1173816896.db2.gz RYVDRJMKGLXAPN-HUUCEWRRSA-N 1 3 315.477 2.293 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001424788263 1173929174 /nfs/dbraw/zinc/92/91/74/1173929174.db2.gz FJFDRCQEEHRDID-ZIAGYGMSSA-N 1 3 321.440 2.293 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@]2(C)C[N@H+](CC3CCC3)C[C@]2(C)C1 ZINC001425373592 1174298138 /nfs/dbraw/zinc/29/81/38/1174298138.db2.gz AKGYODJWEZXWJE-KDURUIRLSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@]2(C)C[N@@H+](CC3CCC3)C[C@]2(C)C1 ZINC001425373592 1174298145 /nfs/dbraw/zinc/29/81/45/1174298145.db2.gz AKGYODJWEZXWJE-KDURUIRLSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@@H](C[NH2+]Cc1ccccc1)C1CC1)N(C)C ZINC001425524906 1174351626 /nfs/dbraw/zinc/35/16/26/1174351626.db2.gz QXVDESUKXCVBGP-ROUUACIJSA-N 1 3 317.477 2.353 20 0 DEADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1C ZINC001425682407 1174457499 /nfs/dbraw/zinc/45/74/99/1174457499.db2.gz PEDCVRVYDHOXPZ-INIZCTEOSA-N 1 3 305.466 2.273 20 0 DEADHO CN(C)[C@H](CNC(=O)C1([NH+](C)C)CCCC1)c1ccccc1 ZINC001433590844 1177883376 /nfs/dbraw/zinc/88/33/76/1177883376.db2.gz SYFYPZSYMRXMSV-MRXNPFEDSA-N 1 3 303.450 2.280 20 0 DEADHO CC(C)C[NH+]1CCC(C(=O)N2CCCN(C(C)C)CC2)CC1 ZINC001433661012 1177916906 /nfs/dbraw/zinc/91/69/06/1177916906.db2.gz FXKGTNCYFKHZQK-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO OC1(C[NH+]2CCCCC2)CCN(C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC001434502732 1178690294 /nfs/dbraw/zinc/69/02/94/1178690294.db2.gz AKFDTFLQWWNNDF-MSOLQXFVSA-N 1 3 322.493 2.257 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCCC3)C2)C1 ZINC001436422678 1179091678 /nfs/dbraw/zinc/09/16/78/1179091678.db2.gz MMASCRYKNUTCJS-RYQLBKOJSA-N 1 3 321.509 2.393 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCCC[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001436472052 1179123914 /nfs/dbraw/zinc/12/39/14/1179123914.db2.gz ODTGNDAKQORJSH-LOWQCSRCSA-N 1 3 315.889 2.440 20 0 DEADHO CCCN(C)CC(=O)N1CCCCC[C@H]([NH2+]C/C=C/Cl)C1 ZINC001436476226 1179130277 /nfs/dbraw/zinc/13/02/77/1179130277.db2.gz MYHVAOIRAYDROF-HEWZJLJBSA-N 1 3 315.889 2.442 20 0 DEADHO C[C@@H]([NH2+]CCC1CC1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001437857259 1180032166 /nfs/dbraw/zinc/03/21/66/1180032166.db2.gz PPXRJYMOIBEQGA-OAHLLOKOSA-N 1 3 307.482 2.099 20 0 DEADHO CN(C(=O)CCC[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001438247511 1180279466 /nfs/dbraw/zinc/27/94/66/1180279466.db2.gz YNHRRPFZCSUSJA-KRWDZBQOSA-N 1 3 303.450 2.061 20 0 DEADHO CC[C@H](C(=O)NC1(C[NH2+]Cc2cncs2)CCCC1)N(C)C ZINC001438393093 1180388705 /nfs/dbraw/zinc/38/87/05/1180388705.db2.gz OEKSAPYHBAFOSM-CQSZACIVSA-N 1 3 324.494 2.002 20 0 DEADHO O=C(CC[NH+]1CCCCC1)NCCC1CCN(CCF)CC1 ZINC001438451503 1180446482 /nfs/dbraw/zinc/44/64/82/1180446482.db2.gz ADUZRXRWUSXIMC-UHFFFAOYSA-N 1 3 313.461 2.050 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1([NH2+]CC2CC2)CCCC1 ZINC001438613430 1180667573 /nfs/dbraw/zinc/66/75/73/1180667573.db2.gz TZEDFXGWHNVHIW-HUUCEWRRSA-N 1 3 307.482 2.288 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC2CCCC2)C1 ZINC001438942913 1180860961 /nfs/dbraw/zinc/86/09/61/1180860961.db2.gz AQJBUCPXMRZCLA-ZWKOTPCHSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC2CCCC2)C1 ZINC001438942913 1180860962 /nfs/dbraw/zinc/86/09/62/1180860962.db2.gz AQJBUCPXMRZCLA-ZWKOTPCHSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001439108822 1180886566 /nfs/dbraw/zinc/88/65/66/1180886566.db2.gz DVVXRMLFARZGMA-KGLIPLIRSA-N 1 3 301.450 2.093 20 0 DEADHO C[C@H](CNCc1ccccc1Cl)NC(=O)CCC[NH+](C)C ZINC001439145419 1180895699 /nfs/dbraw/zinc/89/56/99/1180895699.db2.gz VUYRLSYZCPWSOA-CYBMUJFWSA-N 1 3 311.857 2.276 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)cc1C ZINC001439277445 1180985984 /nfs/dbraw/zinc/98/59/84/1180985984.db2.gz ZMYPNNSYMHFRBU-AWEZNQCLSA-N 1 3 309.429 2.070 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1(NCc2cccc(F)c2)CC1)[NH+](C)C ZINC001439616645 1181170692 /nfs/dbraw/zinc/17/06/92/1181170692.db2.gz ANFPBYRJYICMRC-INIZCTEOSA-N 1 3 321.440 2.150 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2cccc(Cl)c2)CC1)N(C)C ZINC001439668215 1181193053 /nfs/dbraw/zinc/19/30/53/1181193053.db2.gz VWBIFQTVOAOIFV-HNNXBMFYSA-N 1 3 323.868 2.419 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)CC[N@@H+]1CC1CCC1 ZINC001440649704 1181626263 /nfs/dbraw/zinc/62/62/63/1181626263.db2.gz KHRKACUSYLBWSP-ZBFHGGJFSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)CC[N@H+]1CC1CCC1 ZINC001440649704 1181626266 /nfs/dbraw/zinc/62/62/66/1181626266.db2.gz KHRKACUSYLBWSP-ZBFHGGJFSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]([NH2+]CCC2CCCC2)C2CC2)C1 ZINC001441221921 1181900462 /nfs/dbraw/zinc/90/04/62/1181900462.db2.gz HCKUURIDOUSROT-YJBOKZPZSA-N 1 3 321.509 2.393 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@@H]([NH2+]CCC2CCCC2)C2CC2)C1 ZINC001441221915 1181900833 /nfs/dbraw/zinc/90/08/33/1181900833.db2.gz HCKUURIDOUSROT-MAUKXSAKSA-N 1 3 321.509 2.393 20 0 DEADHO CCC[NH2+][C@@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001441222872 1181901013 /nfs/dbraw/zinc/90/10/13/1181901013.db2.gz INGQJTMTSDLHAI-YOEHRIQHSA-N 1 3 313.461 2.093 20 0 DEADHO Cc1ccc(CN2C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C2)cc1 ZINC001441244481 1181911145 /nfs/dbraw/zinc/91/11/45/1181911145.db2.gz ASHHHLMHMRKDGW-KRWDZBQOSA-N 1 3 317.477 2.273 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC([N@H+](C)CC[C@@H](C)F)CC1)N(C)C ZINC001441381131 1181965579 /nfs/dbraw/zinc/96/55/79/1181965579.db2.gz GHGYRJQPCXFBRT-ZBFHGGJFSA-N 1 3 315.477 2.244 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC([N@@H+](C)CC[C@@H](C)F)CC1)N(C)C ZINC001441381131 1181965583 /nfs/dbraw/zinc/96/55/83/1181965583.db2.gz GHGYRJQPCXFBRT-ZBFHGGJFSA-N 1 3 315.477 2.244 20 0 DEADHO CN(C/C=C\Cl)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001441387553 1181970387 /nfs/dbraw/zinc/97/03/87/1181970387.db2.gz PDPRHSKZIWPXBW-WTKPLQERSA-N 1 3 313.873 2.004 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](CC2CCCC2)C1)N(C)C ZINC001441578214 1182070615 /nfs/dbraw/zinc/07/06/15/1182070615.db2.gz DNLYJIYHYWCVFX-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CC2CCCC2)C1)N(C)C ZINC001441578214 1182070621 /nfs/dbraw/zinc/07/06/21/1182070621.db2.gz DNLYJIYHYWCVFX-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CCC[N@@H+](CC2CC(C)C2)C1 ZINC001441584488 1182074152 /nfs/dbraw/zinc/07/41/52/1182074152.db2.gz MOZJQZNSZYZFNZ-OGVSOVDVSA-N 1 3 318.465 2.135 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CCC[N@H+](CC2CC(C)C2)C1 ZINC001441584488 1182074156 /nfs/dbraw/zinc/07/41/56/1182074156.db2.gz MOZJQZNSZYZFNZ-OGVSOVDVSA-N 1 3 318.465 2.135 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001441601442 1182084299 /nfs/dbraw/zinc/08/42/99/1182084299.db2.gz YHEMWMBYVSRINR-IAGOWNOFSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001441601442 1182084304 /nfs/dbraw/zinc/08/43/04/1182084304.db2.gz YHEMWMBYVSRINR-IAGOWNOFSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001441613432 1182090362 /nfs/dbraw/zinc/09/03/62/1182090362.db2.gz DIPQEZVEAPJFIM-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO CN(C)C1(C(=O)NC2CCC([NH2+]C/C=C\Cl)CC2)CCC1 ZINC001441729962 1182138363 /nfs/dbraw/zinc/13/83/63/1182138363.db2.gz NCYRUXPGFWNINS-WCIBSUBMSA-N 1 3 313.873 2.240 20 0 DEADHO C[C@@H]([NH2+][C@@H](C)CNC(=O)CN(C)C1CCC1)c1cccc(F)c1 ZINC001441848480 1182213065 /nfs/dbraw/zinc/21/30/65/1182213065.db2.gz YVIOLOCWBHRTJS-UONOGXRCSA-N 1 3 321.440 2.465 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccns2)C1 ZINC001442198512 1182363258 /nfs/dbraw/zinc/36/32/58/1182363258.db2.gz GLPSNMNAQPZWQL-ZIAGYGMSSA-N 1 3 324.494 2.002 20 0 DEADHO Cc1ccc(C)c(C[N@@H+](C)CCNC(=O)CN(C)C2CCC2)c1 ZINC001442419837 1182464769 /nfs/dbraw/zinc/46/47/69/1182464769.db2.gz WUQRTGHZVKRPMR-UHFFFAOYSA-N 1 3 317.477 2.336 20 0 DEADHO Cc1ccc(C)c(C[N@H+](C)CCNC(=O)CN(C)C2CCC2)c1 ZINC001442419837 1182464773 /nfs/dbraw/zinc/46/47/73/1182464773.db2.gz WUQRTGHZVKRPMR-UHFFFAOYSA-N 1 3 317.477 2.336 20 0 DEADHO C[C@H]([NH2+]CCC1CC1)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001443124568 1182854781 /nfs/dbraw/zinc/85/47/81/1182854781.db2.gz PVIIJHZCYCVNEX-HOTGVXAUSA-N 1 3 321.509 2.345 20 0 DEADHO CCCN(C)CC(=O)NCC1C[NH+](Cc2ccccc2CC)C1 ZINC001443634347 1183062990 /nfs/dbraw/zinc/06/29/90/1183062990.db2.gz IJYNQXRVZFKRPM-UHFFFAOYSA-N 1 3 317.477 2.139 20 0 DEADHO CC(C)CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001443688684 1183083264 /nfs/dbraw/zinc/08/32/64/1183083264.db2.gz PBKMQJJWQDBVSM-IRXDYDNUSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CC(C)C ZINC001443986048 1183242236 /nfs/dbraw/zinc/24/22/36/1183242236.db2.gz PMBILAFHZVJWMF-PBHICJAKSA-N 1 3 315.477 2.339 20 0 DEADHO C[C@H](C[NH2+][C@@H](C)c1ccccc1)NC(=O)CN(C)C1CCC1 ZINC001445387697 1183858184 /nfs/dbraw/zinc/85/81/84/1183858184.db2.gz GZVFIQNVKZJCCK-CABCVRRESA-N 1 3 303.450 2.326 20 0 DEADHO Cc1cccc(Cl)c1CNC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001445647677 1183954029 /nfs/dbraw/zinc/95/40/29/1183954029.db2.gz LXUYQKRYVOWGPV-KBPBESRZSA-N 1 3 323.868 2.194 20 0 DEADHO Cc1cccc(Cl)c1CNC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001445647677 1183954030 /nfs/dbraw/zinc/95/40/30/1183954030.db2.gz LXUYQKRYVOWGPV-KBPBESRZSA-N 1 3 323.868 2.194 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2cc(C)cc(C)c2)CC1 ZINC001446259410 1184288590 /nfs/dbraw/zinc/28/85/90/1184288590.db2.gz WIYMMKBPJORBSJ-UHFFFAOYSA-N 1 3 317.477 2.384 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2(NC/C=C/Cl)CC2)C1 ZINC001446269529 1184292324 /nfs/dbraw/zinc/29/23/24/1184292324.db2.gz YJCTVTZCHWSZGU-SYVBBQGSSA-N 1 3 313.873 2.098 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001447533511 1184802617 /nfs/dbraw/zinc/80/26/17/1184802617.db2.gz CYNMPZDDPMLCJE-HIFRSBDPSA-N 1 3 309.479 2.026 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC(C)C1 ZINC001447764597 1184863524 /nfs/dbraw/zinc/86/35/24/1184863524.db2.gz BEEHDGUNXPMXIY-OFLPRAFFSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC(C)C1 ZINC001447764597 1184863525 /nfs/dbraw/zinc/86/35/25/1184863525.db2.gz BEEHDGUNXPMXIY-OFLPRAFFSA-N 1 3 309.498 2.296 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)CC1CCCCC1 ZINC001448049082 1185046272 /nfs/dbraw/zinc/04/62/72/1185046272.db2.gz XVHSDGNNJJMXMR-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)CC1CCCCC1 ZINC001448049082 1185046277 /nfs/dbraw/zinc/04/62/77/1185046277.db2.gz XVHSDGNNJJMXMR-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC001449062652 1185514091 /nfs/dbraw/zinc/51/40/91/1185514091.db2.gz NLOWICGWZYFDAE-MSOLQXFVSA-N 1 3 317.477 2.401 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001405518567 1164131122 /nfs/dbraw/zinc/13/11/22/1164131122.db2.gz ARSSCEOQQFXJHR-RBSFLKMASA-N 1 3 301.450 2.092 20 0 DEADHO CC(C)N1CCN(CC[NH2+][C@H](C)Cc2cccc(F)c2)CC1 ZINC001168460373 782474816 /nfs/dbraw/zinc/47/48/16/782474816.db2.gz SHWVKGCSEDZNBD-MRXNPFEDSA-N 1 3 307.457 2.372 20 0 DEADHO CC(C)N1CCN(CC[NH2+][C@H]2CCc3cccc(F)c3C2)CC1 ZINC001170956471 790317954 /nfs/dbraw/zinc/31/79/54/790317954.db2.gz WTKBHCHSUGPQBD-KRWDZBQOSA-N 1 3 319.468 2.299 20 0 DEADHO CCCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001106668849 782843968 /nfs/dbraw/zinc/84/39/68/782843968.db2.gz QQOPIWTXICRLLE-HZPDHXFCSA-N 1 3 309.498 2.203 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1C[C@H]([NH2+]CC2CCC2)C12CCC2 ZINC001203522657 782949767 /nfs/dbraw/zinc/94/97/67/782949767.db2.gz NRTKNICLWSMURH-JKSUJKDBSA-N 1 3 307.482 2.145 20 0 DEADHO CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)CC(C)(C)C1 ZINC001089458900 783125877 /nfs/dbraw/zinc/12/58/77/783125877.db2.gz PMIWGOROTXREKL-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)CC(C)(C)C1 ZINC001089458900 783125881 /nfs/dbraw/zinc/12/58/81/783125881.db2.gz PMIWGOROTXREKL-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2CC[N@H+](CC3CC3)CC(C)(C)C2)C1 ZINC001089486736 783153211 /nfs/dbraw/zinc/15/32/11/783153211.db2.gz CGPRJCIPQHEZIX-RDJZCZTQSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2CC[N@@H+](CC3CC3)CC(C)(C)C2)C1 ZINC001089486736 783153214 /nfs/dbraw/zinc/15/32/14/783153214.db2.gz CGPRJCIPQHEZIX-RDJZCZTQSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](NC(=O)CN2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493412 783159677 /nfs/dbraw/zinc/15/96/77/783159677.db2.gz WNTQRSPSOMESRH-HOTGVXAUSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[N@H+]1CC[C@H](NC(=O)CN2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493412 783159681 /nfs/dbraw/zinc/15/96/81/783159681.db2.gz WNTQRSPSOMESRH-HOTGVXAUSA-N 1 3 309.498 2.486 20 0 DEADHO CC1CC(C[N@@H+]2CCC3(CN(C(=O)CN4CCC[C@H]4C)C3)C2)C1 ZINC001072979898 790351800 /nfs/dbraw/zinc/35/18/00/790351800.db2.gz PUOROQAKDUZQOT-AQFXKWCLSA-N 1 3 319.493 2.051 20 0 DEADHO CC1CC(C[N@H+]2CCC3(CN(C(=O)CN4CCC[C@H]4C)C3)C2)C1 ZINC001072979898 790351805 /nfs/dbraw/zinc/35/18/05/790351805.db2.gz PUOROQAKDUZQOT-AQFXKWCLSA-N 1 3 319.493 2.051 20 0 DEADHO Cc1ccccc1C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159997803 790366492 /nfs/dbraw/zinc/36/64/92/790366492.db2.gz YTWGMFOJIOWYKK-UHFFFAOYSA-N 1 3 303.450 2.075 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[N@H+](CCC1CCCC1)C2 ZINC001073015960 790385530 /nfs/dbraw/zinc/38/55/30/790385530.db2.gz BGLLRMGCHNKGGR-UHFFFAOYSA-N 1 3 316.449 2.067 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[N@@H+](CCC1CCCC1)C2 ZINC001073015960 790385543 /nfs/dbraw/zinc/38/55/43/790385543.db2.gz BGLLRMGCHNKGGR-UHFFFAOYSA-N 1 3 316.449 2.067 20 0 DEADHO CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001073035189 790407482 /nfs/dbraw/zinc/40/74/82/790407482.db2.gz ATKWEJLYBHNSHE-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001073035189 790407487 /nfs/dbraw/zinc/40/74/87/790407487.db2.gz ATKWEJLYBHNSHE-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)CC[NH2+]CC1(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001167224471 776780064 /nfs/dbraw/zinc/78/00/64/776780064.db2.gz KVFHRSJXIHORMX-INIZCTEOSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCCC1(C[NH2+]C/C=C/Cl)CC1 ZINC001167224924 776780784 /nfs/dbraw/zinc/78/07/84/776780784.db2.gz NTRYPQJKZNWKSO-VSZOKUSCSA-N 1 3 313.873 2.099 20 0 DEADHO CC(C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCCN1C(C)C ZINC001087165682 777164734 /nfs/dbraw/zinc/16/47/34/777164734.db2.gz HONNBGDZADAPKF-IXDOHACOSA-N 1 3 309.498 2.484 20 0 DEADHO CN1CC2(C1)CC[NH+](C[C@H]1CCCN1C(=O)OC(C)(C)C)CC2 ZINC001207376587 777565851 /nfs/dbraw/zinc/56/58/51/777565851.db2.gz CFTISZBUHKWEBC-OAHLLOKOSA-N 1 3 323.481 2.414 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NCC1([NH2+]CCF)CCCCC1 ZINC001115559975 778501956 /nfs/dbraw/zinc/50/19/56/778501956.db2.gz NTTSPAXMYQGCOD-CQSZACIVSA-N 1 3 319.440 2.045 20 0 DEADHO CC(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC[C@H]1C)C2 ZINC001112529632 778606541 /nfs/dbraw/zinc/60/65/41/778606541.db2.gz ILWIHKQNUBVECG-AOIWGVFYSA-N 1 3 321.509 2.345 20 0 DEADHO CCC[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1c1ccccc1 ZINC001211690689 778609331 /nfs/dbraw/zinc/60/93/31/778609331.db2.gz IAFPXVNUYWUQRX-ZWKOTPCHSA-N 1 3 317.477 2.322 20 0 DEADHO COC(=O)[C@H]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167968609 779123902 /nfs/dbraw/zinc/12/39/02/779123902.db2.gz TWRZAHISQVDULA-ZSNVMCELSA-N 1 3 306.450 2.323 20 0 DEADHO COC(=O)[C@H]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167968609 779123908 /nfs/dbraw/zinc/12/39/08/779123908.db2.gz TWRZAHISQVDULA-ZSNVMCELSA-N 1 3 306.450 2.323 20 0 DEADHO C[C@H]1CC(NCCn2cncn2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168015481 779344478 /nfs/dbraw/zinc/34/44/78/779344478.db2.gz QUSXGTQHVHFPLI-HOTGVXAUSA-N 1 3 313.449 2.309 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCCCCF)CC1 ZINC001204793589 779831657 /nfs/dbraw/zinc/83/16/57/779831657.db2.gz KCMQKWZQDMDMEQ-INIZCTEOSA-N 1 3 313.461 2.049 20 0 DEADHO CC[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CC2CCC2)C1)N(C)C ZINC001088383742 780056276 /nfs/dbraw/zinc/05/62/76/780056276.db2.gz LWLLGMLIJSOOCM-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO OC[C@@H](Cc1ccc(F)cc1F)[NH2+]C1CCN(CC2CC2)CC1 ZINC001168370851 781614351 /nfs/dbraw/zinc/61/43/51/781614351.db2.gz GDQGMELJTKNTQO-QGZVFWFLSA-N 1 3 324.415 2.332 20 0 DEADHO CCN1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089664187 783337785 /nfs/dbraw/zinc/33/77/85/783337785.db2.gz DVFOFMQMZIBSPE-HNNXBMFYSA-N 1 3 307.482 2.242 20 0 DEADHO CCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001089820751 783480528 /nfs/dbraw/zinc/48/05/28/783480528.db2.gz OOYUBLOTMSIGEJ-NXOAAHMSSA-N 1 3 319.493 2.050 20 0 DEADHO CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001089820751 783480533 /nfs/dbraw/zinc/48/05/33/783480533.db2.gz OOYUBLOTMSIGEJ-NXOAAHMSSA-N 1 3 319.493 2.050 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC001085284680 783619219 /nfs/dbraw/zinc/61/92/19/783619219.db2.gz HEKQQHZBVUZRJJ-BRWVUGGUSA-N 1 3 307.482 2.286 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC1)N1CCCC1 ZINC001085295544 783625201 /nfs/dbraw/zinc/62/52/01/783625201.db2.gz MFSFJKWOLUZFPS-HZPDHXFCSA-N 1 3 307.482 2.288 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCCF)C1 ZINC001085306512 783633085 /nfs/dbraw/zinc/63/30/85/783633085.db2.gz CVFBSGXBQXRSAG-BZUAXINKSA-N 1 3 313.461 2.095 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCCF)C1 ZINC001085306512 783633089 /nfs/dbraw/zinc/63/30/89/783633089.db2.gz CVFBSGXBQXRSAG-BZUAXINKSA-N 1 3 313.461 2.095 20 0 DEADHO C[C@@H]1CC[N@H+](CCC2CC2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC000967212110 783907295 /nfs/dbraw/zinc/90/72/95/783907295.db2.gz ZSDLZXAZKCLXJG-NVXWUHKLSA-N 1 3 319.493 2.242 20 0 DEADHO C[C@@H]1CC[N@@H+](CCC2CC2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC000967212110 783907302 /nfs/dbraw/zinc/90/73/02/783907302.db2.gz ZSDLZXAZKCLXJG-NVXWUHKLSA-N 1 3 319.493 2.242 20 0 DEADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c(C)s1 ZINC000967709109 784099393 /nfs/dbraw/zinc/09/93/93/784099393.db2.gz WFJOQXQRJRKCDE-HZPDHXFCSA-N 1 3 321.490 2.150 20 0 DEADHO CN(C[C@@H]1CCN1CC1CC1)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085917394 784210097 /nfs/dbraw/zinc/21/00/97/784210097.db2.gz YQNXIMPUDAYENS-SFHVURJKSA-N 1 3 319.493 2.051 20 0 DEADHO CC(C)=CCN1CC[C@H](C)[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968149894 784237258 /nfs/dbraw/zinc/23/72/58/784237258.db2.gz GIIBXULIMYLDQS-RDJZCZTQSA-N 1 3 307.482 2.121 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CCC1)N(C)C ZINC001074028915 791018068 /nfs/dbraw/zinc/01/80/68/791018068.db2.gz RXOLFFNCNQJYDG-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCC1)N(C)C ZINC001074028915 791018073 /nfs/dbraw/zinc/01/80/73/791018073.db2.gz RXOLFFNCNQJYDG-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCNCc2ccc(F)cc2)C1 ZINC001129326773 784435019 /nfs/dbraw/zinc/43/50/19/784435019.db2.gz CRZWVOLKHMBZIJ-MRXNPFEDSA-N 1 3 321.440 2.009 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCNCc2ccc(F)cc2)C1 ZINC001129326773 784435026 /nfs/dbraw/zinc/43/50/26/784435026.db2.gz CRZWVOLKHMBZIJ-MRXNPFEDSA-N 1 3 321.440 2.009 20 0 DEADHO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCCN1C/C=C\Cl ZINC000968782083 784587509 /nfs/dbraw/zinc/58/75/09/784587509.db2.gz SBGIBEYVTVQCHL-XDHNQJSPSA-N 1 3 313.873 2.194 20 0 DEADHO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCCN1C/C=C\Cl ZINC000968782083 784587515 /nfs/dbraw/zinc/58/75/15/784587515.db2.gz SBGIBEYVTVQCHL-XDHNQJSPSA-N 1 3 313.873 2.194 20 0 DEADHO CN1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccccc1Cl ZINC001155789159 784713553 /nfs/dbraw/zinc/71/35/53/784713553.db2.gz ABBKAUGBWRCGIG-OAHLLOKOSA-N 1 3 309.841 2.030 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2c(C)cccc2C)C1)N(C)C ZINC000969074383 784715553 /nfs/dbraw/zinc/71/55/53/784715553.db2.gz ANBPLUSLHZBEEB-SJLPKXTDSA-N 1 3 317.477 2.334 20 0 DEADHO C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169081718 785036731 /nfs/dbraw/zinc/03/67/31/785036731.db2.gz VIBCMWPIYDTIBP-RFBLXINOSA-N 1 3 323.481 2.457 20 0 DEADHO C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169081718 785036740 /nfs/dbraw/zinc/03/67/40/785036740.db2.gz VIBCMWPIYDTIBP-RFBLXINOSA-N 1 3 323.481 2.457 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCCN(c3ccccn3)CC1)C2 ZINC001169124543 785045612 /nfs/dbraw/zinc/04/56/12/785045612.db2.gz FBLLVYCYYQTVMJ-FVQHAEBGSA-N 1 3 300.450 2.219 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCCN(c3ccccn3)CC1)C2 ZINC001169124543 785045615 /nfs/dbraw/zinc/04/56/15/785045615.db2.gz FBLLVYCYYQTVMJ-FVQHAEBGSA-N 1 3 300.450 2.219 20 0 DEADHO COc1ccnc(O[C@H]2CC[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)N4C)C2)c1 ZINC001169153200 785070242 /nfs/dbraw/zinc/07/02/42/785070242.db2.gz GTXZRRKLAIDFMR-IVSAIRAKSA-N 1 3 317.433 2.169 20 0 DEADHO COc1ccnc(O[C@H]2CC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)N4C)C2)c1 ZINC001169153200 785070250 /nfs/dbraw/zinc/07/02/50/785070250.db2.gz GTXZRRKLAIDFMR-IVSAIRAKSA-N 1 3 317.433 2.169 20 0 DEADHO CCN1CCC([NH2+]Cc2ccccc2CN2CCOCC2)CC1 ZINC001169221848 785091820 /nfs/dbraw/zinc/09/18/20/785091820.db2.gz PYIHYWGVNUIRIA-UHFFFAOYSA-N 1 3 317.477 2.093 20 0 DEADHO CC[NH+]1CCC(NCc2ccccc2CN2CCOCC2)CC1 ZINC001169221848 785091830 /nfs/dbraw/zinc/09/18/30/785091830.db2.gz PYIHYWGVNUIRIA-UHFFFAOYSA-N 1 3 317.477 2.093 20 0 DEADHO CCOC(=O)N1CCC[C@H]([NH2+][C@H]2CCC[C@@H](N(C)C)C2)CC1 ZINC001169664682 785293540 /nfs/dbraw/zinc/29/35/40/785293540.db2.gz QIVGUDWHCVZNQJ-HRCADAONSA-N 1 3 311.470 2.460 20 0 DEADHO [NH3+][C@H]1CCC[C@H](N[C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169742144 785331095 /nfs/dbraw/zinc/33/10/95/785331095.db2.gz CUQKLGAIIMZXRZ-YESZJQIVSA-N 1 3 301.434 2.151 20 0 DEADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCCN(CC3=CCCCC3)C2)C1 ZINC001009199290 785406579 /nfs/dbraw/zinc/40/65/79/785406579.db2.gz DRMUILIBAHCCHC-ROUUACIJSA-N 1 3 319.493 2.409 20 0 DEADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCCN(CC3=CCCCC3)C2)C1 ZINC001009199290 785406582 /nfs/dbraw/zinc/40/65/82/785406582.db2.gz DRMUILIBAHCCHC-ROUUACIJSA-N 1 3 319.493 2.409 20 0 DEADHO CN(C)C1(C(=O)NCC[NH2+]CC2CCC(C)(C)CC2)CCC1 ZINC001129356130 785491448 /nfs/dbraw/zinc/49/14/48/785491448.db2.gz BNKJSFFAOSMUGK-UHFFFAOYSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@@H](CCCC[NH2+]CC1CCC1)NC(=O)[C@H](C1CC1)N(C)C ZINC001171246043 791119096 /nfs/dbraw/zinc/11/90/96/791119096.db2.gz DJFDSRVKUVDWRQ-YOEHRIQHSA-N 1 3 309.498 2.391 20 0 DEADHO CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001109426936 785867997 /nfs/dbraw/zinc/86/79/97/785867997.db2.gz GHTJWPJMOWQSDN-QZWWFDLISA-N 1 3 309.498 2.484 20 0 DEADHO CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001109426936 785868004 /nfs/dbraw/zinc/86/80/04/785868004.db2.gz GHTJWPJMOWQSDN-QZWWFDLISA-N 1 3 309.498 2.484 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@@H](C)F ZINC001109463873 785887406 /nfs/dbraw/zinc/88/74/06/785887406.db2.gz BBLRBBCREVOOPK-KBXIAJHMSA-N 1 3 313.461 2.186 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@@H](C)F ZINC001109463873 785887418 /nfs/dbraw/zinc/88/74/18/785887418.db2.gz BBLRBBCREVOOPK-KBXIAJHMSA-N 1 3 313.461 2.186 20 0 DEADHO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC[C@@H](C)F ZINC001109463873 785887427 /nfs/dbraw/zinc/88/74/27/785887427.db2.gz BBLRBBCREVOOPK-KBXIAJHMSA-N 1 3 313.461 2.186 20 0 DEADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC[C@@H](C)F ZINC001109463873 785887435 /nfs/dbraw/zinc/88/74/35/785887435.db2.gz BBLRBBCREVOOPK-KBXIAJHMSA-N 1 3 313.461 2.186 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC2)C1 ZINC001086558433 786221165 /nfs/dbraw/zinc/22/11/65/786221165.db2.gz ORZLALBLVRCVBX-JCNLHEQBSA-N 1 3 315.461 2.256 20 0 DEADHO CC(C)=CCN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001014707532 786715287 /nfs/dbraw/zinc/71/52/87/786715287.db2.gz UGZUEFWVTXFDLF-SJORKVTESA-N 1 3 307.482 2.121 20 0 DEADHO CC(C)=CCN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001014707532 786715291 /nfs/dbraw/zinc/71/52/91/786715291.db2.gz UGZUEFWVTXFDLF-SJORKVTESA-N 1 3 307.482 2.121 20 0 DEADHO CC(C)=CCN1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001014893490 786796096 /nfs/dbraw/zinc/79/60/96/786796096.db2.gz KAJFSNVJGLAZPL-INIZCTEOSA-N 1 3 305.466 2.019 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CC(C)C)C1 ZINC001015051714 786875955 /nfs/dbraw/zinc/87/59/55/786875955.db2.gz DPKNIZUQMUPRLD-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CC(C)C)C1 ZINC001015051714 786875960 /nfs/dbraw/zinc/87/59/60/786875960.db2.gz DPKNIZUQMUPRLD-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001015052437 786878020 /nfs/dbraw/zinc/87/80/20/786878020.db2.gz LEUXNBZMMRKALV-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001015052437 786878035 /nfs/dbraw/zinc/87/80/35/786878035.db2.gz LEUXNBZMMRKALV-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N[C@H]2CCN(CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001015607833 787136649 /nfs/dbraw/zinc/13/66/49/787136649.db2.gz MYQGNFBWFLOQCD-SZMVWBNQSA-N 1 3 319.493 2.408 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N[C@H]2CCN(CC3=CCCCC3)C2)CC[N@H+]1C ZINC001015607833 787136656 /nfs/dbraw/zinc/13/66/56/787136656.db2.gz MYQGNFBWFLOQCD-SZMVWBNQSA-N 1 3 319.493 2.408 20 0 DEADHO C[C@H](NCCNC(=O)[C@H](C1CC1)[NH+](C)C)c1ccccc1Cl ZINC001129455705 787213316 /nfs/dbraw/zinc/21/33/16/787213316.db2.gz VTTILBIGQFIWHU-LRDDRELGSA-N 1 3 323.868 2.447 20 0 DEADHO CC[C@H]([NH2+]CCNC(=O)[C@H](C1CC1)N(C)C)c1ccccc1 ZINC001129442713 787215630 /nfs/dbraw/zinc/21/56/30/787215630.db2.gz DINLZFTZSZTIJJ-IRXDYDNUSA-N 1 3 303.450 2.184 20 0 DEADHO CC[C@H]([NH2+]CCNC(=O)CN(C)C1CCC1)c1ccccc1 ZINC001129535081 787225404 /nfs/dbraw/zinc/22/54/04/787225404.db2.gz IVYQAFYFZUCXAU-KRWDZBQOSA-N 1 3 303.450 2.328 20 0 DEADHO Cc1ccc(F)cc1CNCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129856578 787251334 /nfs/dbraw/zinc/25/13/34/787251334.db2.gz UTJWKWWPNVBROF-QGZVFWFLSA-N 1 3 321.440 2.214 20 0 DEADHO Cc1ccc(F)cc1CNCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129856578 787251340 /nfs/dbraw/zinc/25/13/40/787251340.db2.gz UTJWKWWPNVBROF-QGZVFWFLSA-N 1 3 321.440 2.214 20 0 DEADHO O=C(NCCNCc1ccc(F)cc1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130186204 787309540 /nfs/dbraw/zinc/30/95/40/787309540.db2.gz CTKXMPCAYYKZRA-DLBZAZTESA-N 1 3 319.424 2.048 20 0 DEADHO O=C(NCCNCc1ccc(F)cc1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001130186204 787309553 /nfs/dbraw/zinc/30/95/53/787309553.db2.gz CTKXMPCAYYKZRA-DLBZAZTESA-N 1 3 319.424 2.048 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+][C@H]1CCCc2ccc(F)cc21)N(C)C ZINC001130203766 787313554 /nfs/dbraw/zinc/31/35/54/787313554.db2.gz WXQHKMNSKYJHRH-DLBZAZTESA-N 1 3 321.440 2.249 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CCCc1cccc(F)c1 ZINC001130424795 787385456 /nfs/dbraw/zinc/38/54/56/787385456.db2.gz BWESAJFZYGXDNK-UHFFFAOYSA-N 1 3 323.456 2.194 20 0 DEADHO Cc1cc(CNCCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)cs1 ZINC001130713278 787462037 /nfs/dbraw/zinc/46/20/37/787462037.db2.gz JGVGANDKVVLAOI-MRXNPFEDSA-N 1 3 323.506 2.383 20 0 DEADHO Cc1cc(CNCCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)cs1 ZINC001130713278 787462043 /nfs/dbraw/zinc/46/20/43/787462043.db2.gz JGVGANDKVVLAOI-MRXNPFEDSA-N 1 3 323.506 2.383 20 0 DEADHO C[C@H](Nc1ccc2c(c1)C1(CC2)CC[NH2+]CC1)[C@@H]1CNCCO1 ZINC001170566170 787640896 /nfs/dbraw/zinc/64/08/96/787640896.db2.gz DUNZUAUGVOKQLG-KSSFIOAISA-N 1 3 315.461 2.043 20 0 DEADHO CCN(CC)Cc1cccc(N[C@H](C)[C@H]2C[NH2+]CCO2)c1F ZINC001170573149 787658975 /nfs/dbraw/zinc/65/89/75/787658975.db2.gz JJELHJUYKWFCNU-CZUORRHYSA-N 1 3 309.429 2.456 20 0 DEADHO CC[NH+](CC)Cc1cccc(N[C@H](C)[C@H]2CNCCO2)c1F ZINC001170573149 787658977 /nfs/dbraw/zinc/65/89/77/787658977.db2.gz JJELHJUYKWFCNU-CZUORRHYSA-N 1 3 309.429 2.456 20 0 DEADHO C[C@H](Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cn1)[C@H]1CNCCO1 ZINC001170575746 787670762 /nfs/dbraw/zinc/67/07/62/787670762.db2.gz ZFZKCAWDQUULJC-YQQAZPJKSA-N 1 3 318.465 2.245 20 0 DEADHO C[C@H](Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cn1)[C@H]1CNCCO1 ZINC001170575746 787670767 /nfs/dbraw/zinc/67/07/67/787670767.db2.gz ZFZKCAWDQUULJC-YQQAZPJKSA-N 1 3 318.465 2.245 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CCCF)C1 ZINC001132152718 787944572 /nfs/dbraw/zinc/94/45/72/787944572.db2.gz HXBYUGRKVKLEMN-UONOGXRCSA-N 1 3 301.450 2.045 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCCF)C1 ZINC001132152718 787944579 /nfs/dbraw/zinc/94/45/79/787944579.db2.gz HXBYUGRKVKLEMN-UONOGXRCSA-N 1 3 301.450 2.045 20 0 DEADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)N(CCCF)C1 ZINC001132152718 787944586 /nfs/dbraw/zinc/94/45/86/787944586.db2.gz HXBYUGRKVKLEMN-UONOGXRCSA-N 1 3 301.450 2.045 20 0 DEADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)N(CCCF)C1 ZINC001132152718 787944592 /nfs/dbraw/zinc/94/45/92/787944592.db2.gz HXBYUGRKVKLEMN-UONOGXRCSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)=CCN1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132240335 787991473 /nfs/dbraw/zinc/99/14/73/787991473.db2.gz FKLHOIUDQZGMGN-JKSUJKDBSA-N 1 3 307.482 2.264 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCNCc2csc(C)c2)C1 ZINC001132738384 788179012 /nfs/dbraw/zinc/17/90/12/788179012.db2.gz BBDDFEUWYAZBLI-INIZCTEOSA-N 1 3 323.506 2.384 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)NCCNCc2csc(C)c2)C1 ZINC001132738384 788179019 /nfs/dbraw/zinc/17/90/19/788179019.db2.gz BBDDFEUWYAZBLI-INIZCTEOSA-N 1 3 323.506 2.384 20 0 DEADHO O=C(NCCNC/C=C\Cl)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132794651 788197432 /nfs/dbraw/zinc/19/74/32/788197432.db2.gz CVNCGTQRIQVMSZ-ZHMISCPASA-N 1 3 313.873 2.242 20 0 DEADHO O=C(NCCNC/C=C\Cl)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001132794651 788197439 /nfs/dbraw/zinc/19/74/39/788197439.db2.gz CVNCGTQRIQVMSZ-ZHMISCPASA-N 1 3 313.873 2.242 20 0 DEADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001097975910 788305416 /nfs/dbraw/zinc/30/54/16/788305416.db2.gz JHNLCZNSFZRDMA-KURKYZTESA-N 1 3 319.493 2.406 20 0 DEADHO CCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@@H]1C ZINC001133195471 788313473 /nfs/dbraw/zinc/31/34/73/788313473.db2.gz RFTSWTJMQALPDK-DLBZAZTESA-N 1 3 309.498 2.203 20 0 DEADHO CCC[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@@H]1C ZINC001133195475 788314355 /nfs/dbraw/zinc/31/43/55/788314355.db2.gz RFTSWTJMQALPDK-IRXDYDNUSA-N 1 3 309.498 2.203 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCC(C)C)C1 ZINC001133255995 788342235 /nfs/dbraw/zinc/34/22/35/788342235.db2.gz YXSUWTFGJCPSMH-IAGOWNOFSA-N 1 3 311.514 2.449 20 0 DEADHO CC[C@H]([NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C)c1ccccc1 ZINC001133434460 788428967 /nfs/dbraw/zinc/42/89/67/788428967.db2.gz SAVNSASHAAZCMM-DLBZAZTESA-N 1 3 305.466 2.430 20 0 DEADHO Cc1ccc(CNCCNC(=O)C[N@H+]2CCC[C@H]2C)c(Cl)c1 ZINC001133819385 788617973 /nfs/dbraw/zinc/61/79/73/788617973.db2.gz ANWMNVQDSWOGTA-CQSZACIVSA-N 1 3 323.868 2.339 20 0 DEADHO Cc1ccc(CNCCNC(=O)C[N@@H+]2CCC[C@H]2C)c(Cl)c1 ZINC001133819385 788617978 /nfs/dbraw/zinc/61/79/78/788617978.db2.gz ANWMNVQDSWOGTA-CQSZACIVSA-N 1 3 323.868 2.339 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)CN1CCC[C@H]1C ZINC001133819610 788618189 /nfs/dbraw/zinc/61/81/89/788618189.db2.gz IZICVGDARROAAC-CVEARBPZSA-N 1 3 303.450 2.246 20 0 DEADHO CC[C@@H]([NH2+]CCNC(=O)CN1CCC[C@H]1C)c1ccccc1 ZINC001133823638 788619561 /nfs/dbraw/zinc/61/95/61/788619561.db2.gz KZEMLKLWRILFOT-NVXWUHKLSA-N 1 3 303.450 2.328 20 0 DEADHO CC[C@@H]([NH2+]CCNC(=O)CN1CCC[C@H]1C)c1ccc(F)cc1 ZINC001133823895 788621170 /nfs/dbraw/zinc/62/11/70/788621170.db2.gz RWLPSBIBACMRBF-RHSMWYFYSA-N 1 3 321.440 2.467 20 0 DEADHO CC(C)c1ccc(C[NH2+]CCNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001133845723 788638307 /nfs/dbraw/zinc/63/83/07/788638307.db2.gz MHNQMQNNDRROOU-MRXNPFEDSA-N 1 3 317.477 2.358 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]CCNC(=O)CN(C)CC(C)(C)C ZINC001133906182 788666118 /nfs/dbraw/zinc/66/61/18/788666118.db2.gz PBQLJYSXIFVQSH-UHFFFAOYSA-N 1 3 323.456 2.318 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+]CCCCc1ccccc1)N(C)C ZINC001133965931 788697140 /nfs/dbraw/zinc/69/71/40/788697140.db2.gz PZGWWKCJSQHJLU-KRWDZBQOSA-N 1 3 305.466 2.055 20 0 DEADHO C[C@H](C[C@H](C)NC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccns1 ZINC001134582885 788987939 /nfs/dbraw/zinc/98/79/39/788987939.db2.gz BDZSGFMQPMMWIZ-OLZOCXBDSA-N 1 3 324.494 2.000 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(F)cc1 ZINC001134759370 789066156 /nfs/dbraw/zinc/06/61/56/789066156.db2.gz NIBXOMGLMOQAQE-QGZVFWFLSA-N 1 3 321.440 2.294 20 0 DEADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1cnc(C)o1 ZINC001134772588 789073483 /nfs/dbraw/zinc/07/34/83/789073483.db2.gz GIKNFGXQZSRPDC-STQMWFEESA-N 1 3 324.469 2.086 20 0 DEADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1cnc(C)o1 ZINC001134772588 789073492 /nfs/dbraw/zinc/07/34/92/789073492.db2.gz GIKNFGXQZSRPDC-STQMWFEESA-N 1 3 324.469 2.086 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+]CC/C=C\c1ccccc1 ZINC001135511199 789380946 /nfs/dbraw/zinc/38/09/46/789380946.db2.gz LSSCSPQQHPVMPJ-WQLSENKSSA-N 1 3 303.450 2.138 20 0 DEADHO CCCCCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCOC ZINC001135690430 789449695 /nfs/dbraw/zinc/44/96/95/789449695.db2.gz HKOHYSIPICVFGL-CVEARBPZSA-N 1 3 315.502 2.018 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001135746134 789476887 /nfs/dbraw/zinc/47/68/87/789476887.db2.gz DPNWDSBUZREBCS-QWHCGFSZSA-N 1 3 319.440 2.246 20 0 DEADHO Cc1ncc(CN[C@@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C)o1 ZINC001135973600 789584714 /nfs/dbraw/zinc/58/47/14/789584714.db2.gz AUUJAGBZNPFKAS-KBPBESRZSA-N 1 3 324.469 2.088 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccnc1C ZINC001135976177 789586201 /nfs/dbraw/zinc/58/62/01/789586201.db2.gz HKXHUNLMZQETOU-LSDHHAIUSA-N 1 3 320.481 2.105 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)[C@H]1CCCN1C ZINC001074565225 791233633 /nfs/dbraw/zinc/23/36/33/791233633.db2.gz ZQZJHWCZOOAWKM-CWRNSKLLSA-N 1 3 307.482 2.096 20 0 DEADHO Cc1ncccc1C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146591368 791317590 /nfs/dbraw/zinc/31/75/90/791317590.db2.gz GIJGEYIBGAZLGW-HUUCEWRRSA-N 1 3 320.481 2.103 20 0 DEADHO Cc1ncccc1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146591369 791318560 /nfs/dbraw/zinc/31/85/60/791318560.db2.gz GIJGEYIBGAZLGW-LSDHHAIUSA-N 1 3 320.481 2.103 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1C[NH2+]CC1CCC1 ZINC001075290563 791562475 /nfs/dbraw/zinc/56/24/75/791562475.db2.gz OCDHJMJVMCHGMA-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)CCC[N@@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001148292575 791731539 /nfs/dbraw/zinc/73/15/39/791731539.db2.gz LKEBQGPXSBPSOA-KRWDZBQOSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)CCC[N@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001148292575 791731541 /nfs/dbraw/zinc/73/15/41/791731541.db2.gz LKEBQGPXSBPSOA-KRWDZBQOSA-N 1 3 321.509 2.299 20 0 DEADHO CCC(CC)C[N@@H+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001148842613 791810066 /nfs/dbraw/zinc/81/00/66/791810066.db2.gz ASLXAASAQLZYOH-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CCC(CC)C[N@H+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001148842613 791810069 /nfs/dbraw/zinc/81/00/69/791810069.db2.gz ASLXAASAQLZYOH-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CC2CCC2)[C@H](C)C1)N(C)C ZINC001093839492 792615207 /nfs/dbraw/zinc/61/52/07/792615207.db2.gz QGAKRJMKSCTYDS-OIISXLGYSA-N 1 3 309.498 2.057 20 0 DEADHO CN(C)C1(C(=O)NCC2CC([NH2+]Cc3ccccc3)C2)CCC1 ZINC001100405903 792631993 /nfs/dbraw/zinc/63/19/93/792631993.db2.gz RHEHQQLRXIIBKJ-UHFFFAOYSA-N 1 3 315.461 2.155 20 0 DEADHO CC/C=C/CC[NH2+]C1CC(CNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001100407775 792633599 /nfs/dbraw/zinc/63/35/99/792633599.db2.gz JAUONPVYDXPJQW-FGKBNQAFSA-N 1 3 307.482 2.167 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]Cc2ccsc2)C1 ZINC001100677153 792782910 /nfs/dbraw/zinc/78/29/10/792782910.db2.gz YSUOUQSBEWWDOT-JEYLPNPQSA-N 1 3 321.490 2.217 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]CC2CCCC2)C1 ZINC001100677031 792783248 /nfs/dbraw/zinc/78/32/48/792783248.db2.gz WPFANGKFPNWIOB-OOHWJJMZSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)[NH2+]C1CC(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001100679775 792784040 /nfs/dbraw/zinc/78/40/40/792784040.db2.gz OAPBFONMECLQBH-MQBCKMQZSA-N 1 3 313.461 2.092 20 0 DEADHO CC[C@H](C)C[NH2+]C1CC(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001100681481 792785862 /nfs/dbraw/zinc/78/58/62/792785862.db2.gz LPIVNDYZUGHJCK-FHERZECASA-N 1 3 311.514 2.495 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@]2(C)C1 ZINC001101277608 793096340 /nfs/dbraw/zinc/09/63/40/793096340.db2.gz PCTKLSLLGVSFQY-JGJJFQDLSA-N 1 3 321.509 2.463 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@]2(C)C1 ZINC001101277608 793096346 /nfs/dbraw/zinc/09/63/46/793096346.db2.gz PCTKLSLLGVSFQY-JGJJFQDLSA-N 1 3 321.509 2.463 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1cnc(C)o1)N(C)C ZINC001171508853 793117938 /nfs/dbraw/zinc/11/79/38/793117938.db2.gz IYMBIULRIVRUKY-XJKSGUPXSA-N 1 3 324.469 2.088 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]CCCF ZINC001171585699 793127978 /nfs/dbraw/zinc/12/79/78/793127978.db2.gz AYNSQFFCRMKDGW-CQSZACIVSA-N 1 3 303.466 2.341 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1cccc(Cl)c1 ZINC001171762954 793198715 /nfs/dbraw/zinc/19/87/15/793198715.db2.gz NUSXSRBQTDTTRI-UHFFFAOYSA-N 1 3 311.857 2.278 20 0 DEADHO Cc1ccnc(O[C@@H]2CCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)n1 ZINC001172132668 793321518 /nfs/dbraw/zinc/32/15/18/793321518.db2.gz MMSXVAXRAHXEHS-LTIDMASMSA-N 1 3 316.449 2.253 20 0 DEADHO Cc1ccnc(O[C@@H]2CCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)n1 ZINC001172132668 793321528 /nfs/dbraw/zinc/32/15/28/793321528.db2.gz MMSXVAXRAHXEHS-LTIDMASMSA-N 1 3 316.449 2.253 20 0 DEADHO COCc1cccc([C@H](CO)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)c1 ZINC001172110455 793332771 /nfs/dbraw/zinc/33/27/71/793332771.db2.gz MZDFLMYTDUMNQO-RDGPPVDQSA-N 1 3 318.461 2.471 20 0 DEADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(c3ccccn3)CC1)C2 ZINC001172115352 793337130 /nfs/dbraw/zinc/33/71/30/793337130.db2.gz WNSXTVZZPGMHER-BJWYYQGGSA-N 1 3 300.450 2.219 20 0 DEADHO O=C1CC[C@H]2C[C@@H]([NH2+]C3CCN(CC4CCCC4)CC3)CCN12 ZINC001172153062 793350604 /nfs/dbraw/zinc/35/06/04/793350604.db2.gz ABTRQUNXGBXHMC-ROUUACIJSA-N 1 3 319.493 2.384 20 0 DEADHO COCCC[NH+]1CCC(NCCOc2cccc(C)c2)CC1 ZINC001172247698 793387866 /nfs/dbraw/zinc/38/78/66/793387866.db2.gz SWICHIQXTDUFKJ-UHFFFAOYSA-N 1 3 306.450 2.464 20 0 DEADHO COCCCN1CCC([N@@H+]2CCC[C@H]2c2cnccn2)CC1 ZINC001172256509 793391229 /nfs/dbraw/zinc/39/12/29/793391229.db2.gz ZSDMSWGPGUMWDO-KRWDZBQOSA-N 1 3 304.438 2.114 20 0 DEADHO COCCCN1CCC([N@H+]2CCC[C@H]2c2cnccn2)CC1 ZINC001172256509 793391239 /nfs/dbraw/zinc/39/12/39/793391239.db2.gz ZSDMSWGPGUMWDO-KRWDZBQOSA-N 1 3 304.438 2.114 20 0 DEADHO C[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102048699 793486673 /nfs/dbraw/zinc/48/66/73/793486673.db2.gz LROHFMDHMCESIZ-OIISXLGYSA-N 1 3 323.525 2.447 20 0 DEADHO C[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102048699 793486677 /nfs/dbraw/zinc/48/66/77/793486677.db2.gz LROHFMDHMCESIZ-OIISXLGYSA-N 1 3 323.525 2.447 20 0 DEADHO COC(=O)[C@@H]1CCC[C@H]([NH+]2CCN(c3ccncc3)CC2)CC1 ZINC001172783469 793500252 /nfs/dbraw/zinc/50/02/52/793500252.db2.gz SVDBVVMYLIQWBY-CVEARBPZSA-N 1 3 317.433 2.326 20 0 DEADHO COC(=O)[C@@H]1CCC[C@H](N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001172783469 793500255 /nfs/dbraw/zinc/50/02/55/793500255.db2.gz SVDBVVMYLIQWBY-CVEARBPZSA-N 1 3 317.433 2.326 20 0 DEADHO CN(C)CC[NH+](CCN(C)C)C1CCC2(CCOCC2)CC1 ZINC001173050522 793564049 /nfs/dbraw/zinc/56/40/49/793564049.db2.gz ZQPHEPBBNAQYDY-UHFFFAOYSA-N 1 3 311.514 2.151 20 0 DEADHO CCCCC[N@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369630 793588857 /nfs/dbraw/zinc/58/88/57/793588857.db2.gz ASNUNOBMEOMSPQ-BRWVUGGUSA-N 1 3 309.498 2.203 20 0 DEADHO CCCCC[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369630 793588864 /nfs/dbraw/zinc/58/88/64/793588864.db2.gz ASNUNOBMEOMSPQ-BRWVUGGUSA-N 1 3 309.498 2.203 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370295 793589266 /nfs/dbraw/zinc/58/92/66/793589266.db2.gz WIOVXDADKUNJKY-CPRFOPHYSA-N 1 3 321.509 2.369 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370295 793589277 /nfs/dbraw/zinc/58/92/77/793589277.db2.gz WIOVXDADKUNJKY-CPRFOPHYSA-N 1 3 321.509 2.369 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCCC(C)C)C[C@H]1C)N(C)C ZINC001102380372 793596108 /nfs/dbraw/zinc/59/61/08/793596108.db2.gz FOPMSDKYRQLTEX-ZACQAIPSSA-N 1 3 311.514 2.447 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1C)N(C)C ZINC001102380372 793596117 /nfs/dbraw/zinc/59/61/17/793596117.db2.gz FOPMSDKYRQLTEX-ZACQAIPSSA-N 1 3 311.514 2.447 20 0 DEADHO CCSC[C@@H](C)N1CCN(CCC[NH+](CC)CC)CC1 ZINC001173306806 793672207 /nfs/dbraw/zinc/67/22/07/793672207.db2.gz YGZFLXDFEFGWBB-MRXNPFEDSA-N 1 3 301.544 2.478 20 0 DEADHO NCCC[N@H+](C1CCCCC1)[C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173736045 793827846 /nfs/dbraw/zinc/82/78/46/793827846.db2.gz XPWMDOWPIHMXRC-HOTGVXAUSA-N 1 3 306.458 2.140 20 0 DEADHO NCCC[N@@H+](C1CCCCC1)[C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173736045 793827860 /nfs/dbraw/zinc/82/78/60/793827860.db2.gz XPWMDOWPIHMXRC-HOTGVXAUSA-N 1 3 306.458 2.140 20 0 DEADHO c1nnn([C@@H]2CCC[C@@H]([NH2+]C3CCN(C4CCCC4)CC3)C2)n1 ZINC001173750419 793836108 /nfs/dbraw/zinc/83/61/08/793836108.db2.gz IHCUOOICUNKKBM-NVXWUHKLSA-N 1 3 318.469 2.153 20 0 DEADHO c1nnn([C@H]2CCC[C@H]([NH+]3CCC(N4CCCCC4)CC3)C2)n1 ZINC001173753590 793838239 /nfs/dbraw/zinc/83/82/39/793838239.db2.gz IIMIAWLJZHPPOE-IRXDYDNUSA-N 1 3 318.469 2.107 20 0 DEADHO CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001103085132 793934356 /nfs/dbraw/zinc/93/43/56/793934356.db2.gz HEWDPBWGKIDLDT-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001103085132 793934359 /nfs/dbraw/zinc/93/43/59/793934359.db2.gz HEWDPBWGKIDLDT-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1C[N@H+](CC2CCC2)C[C@H]1CCNC(=O)[C@H](C1CC1)N(C)C ZINC001103088213 793936247 /nfs/dbraw/zinc/93/62/47/793936247.db2.gz YWDXPIWSLLGYRD-OLMNPRSZSA-N 1 3 321.509 2.201 20 0 DEADHO C[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1CCNC(=O)[C@H](C1CC1)N(C)C ZINC001103088213 793936254 /nfs/dbraw/zinc/93/62/54/793936254.db2.gz YWDXPIWSLLGYRD-OLMNPRSZSA-N 1 3 321.509 2.201 20 0 DEADHO C[C@@H]1C[N@H+](CCC2CC2)C[C@H]1CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001103088110 793936411 /nfs/dbraw/zinc/93/64/11/793936411.db2.gz WAKZHQJMNADYFQ-ZTFGCOKTSA-N 1 3 321.509 2.201 20 0 DEADHO C[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001103088110 793936422 /nfs/dbraw/zinc/93/64/22/793936422.db2.gz WAKZHQJMNADYFQ-ZTFGCOKTSA-N 1 3 321.509 2.201 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]CC1CCC(C)CC1 ZINC001174681947 794039573 /nfs/dbraw/zinc/03/95/73/794039573.db2.gz CUDZFJRTLCDVRC-UHFFFAOYSA-N 1 3 306.454 2.183 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCOC(C)C)N(C)C ZINC001175303848 794177694 /nfs/dbraw/zinc/17/76/94/794177694.db2.gz HLQIWGKIRNOIGP-CVEARBPZSA-N 1 3 315.502 2.016 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]C/C=C/Cl ZINC001176292970 794392700 /nfs/dbraw/zinc/39/27/00/794392700.db2.gz OHOOVIZGBSOUEG-KGXGESDWSA-N 1 3 303.878 2.345 20 0 DEADHO CC[C@H](F)C[NH2+]CCCC[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001176350377 794411127 /nfs/dbraw/zinc/41/11/27/794411127.db2.gz CHUISRUVLHPLKO-OCCSQVGLSA-N 1 3 312.433 2.273 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CCCC[NH2+]CC[C@H](C)F ZINC001176352021 794413237 /nfs/dbraw/zinc/41/32/37/794413237.db2.gz YTQBKJCRBJCESC-QWHCGFSZSA-N 1 3 312.433 2.273 20 0 DEADHO CC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001104196031 794419273 /nfs/dbraw/zinc/41/92/73/794419273.db2.gz GPOQSLYRYHDRCL-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](F)C[NH2+]CC1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001206274902 794428916 /nfs/dbraw/zinc/42/89/16/794428916.db2.gz NBZCSSXZKYJIAD-GDBMZVCRSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[NH2+]CC1CCC2(CC2)CC1 ZINC001176975010 794544635 /nfs/dbraw/zinc/54/46/35/794544635.db2.gz HANQDMVBTFDBJX-UHFFFAOYSA-N 1 3 309.498 2.393 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1F ZINC001176986104 794547327 /nfs/dbraw/zinc/54/73/27/794547327.db2.gz DXUBNWYIJQITPP-KRWDZBQOSA-N 1 3 321.440 2.296 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CC1CC(F)(F)C1 ZINC001176991439 794551951 /nfs/dbraw/zinc/55/19/51/794551951.db2.gz BAVIQJQQRMRPCR-AWEZNQCLSA-N 1 3 317.424 2.002 20 0 DEADHO CCCC[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C(F)(F)F ZINC001112182257 794569112 /nfs/dbraw/zinc/56/91/12/794569112.db2.gz XBAYSTJJKGDNMX-CHWSQXEVSA-N 1 3 323.403 2.107 20 0 DEADHO C[C@@H](F)CC[NH2+]CCCCCCNC(=O)[C@H](C1CC1)N(C)C ZINC001178698239 794981015 /nfs/dbraw/zinc/98/10/15/794981015.db2.gz CIXHJTOSCMHGIY-ZBFHGGJFSA-N 1 3 315.477 2.341 20 0 DEADHO Cc1ncc(CNCCCCCCNC(=O)CCC[NH+](C)C)o1 ZINC001179403515 795105467 /nfs/dbraw/zinc/10/54/67/795105467.db2.gz PPKYVMGADUYLBB-UHFFFAOYSA-N 1 3 324.469 2.091 20 0 DEADHO C[C@@H](F)CC[NH2+]CCCCCCNC(=O)CN1CC[C@H](C)C1 ZINC001179586828 795137873 /nfs/dbraw/zinc/13/78/73/795137873.db2.gz TVJCPYHINGRFFR-JKSUJKDBSA-N 1 3 315.477 2.343 20 0 DEADHO CC[C@@H](F)C[NH2+]CCCCCCNC(=O)CN1CCC[C@H]1C ZINC001179581013 795145175 /nfs/dbraw/zinc/14/51/75/795145175.db2.gz ZOULBAJVFTXZCD-HZPDHXFCSA-N 1 3 315.477 2.485 20 0 DEADHO CC[N@H+](C)CCC(=O)NCCCCCCNCc1cnc(C)o1 ZINC001179988962 795214983 /nfs/dbraw/zinc/21/49/83/795214983.db2.gz RMNJMTYXEAWLQQ-UHFFFAOYSA-N 1 3 324.469 2.091 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCCCCCCNCc1cnc(C)o1 ZINC001179988962 795214986 /nfs/dbraw/zinc/21/49/86/795214986.db2.gz RMNJMTYXEAWLQQ-UHFFFAOYSA-N 1 3 324.469 2.091 20 0 DEADHO CC(C)(C)OC(=O)NCC1CC([NH2+]CCCN2CCCC2)C1 ZINC001119622134 795331417 /nfs/dbraw/zinc/33/14/17/795331417.db2.gz CDQGFCJNFTXKGP-UHFFFAOYSA-N 1 3 311.470 2.365 20 0 DEADHO C[C@H](C(=O)N1CCC([NH3+])(c2ccc(F)cc2)CC1)N1CCCC1 ZINC001180583858 795339176 /nfs/dbraw/zinc/33/91/76/795339176.db2.gz BGQGRZMWMFDKEH-CQSZACIVSA-N 1 3 319.424 2.086 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CCF)CCCCC1 ZINC001120189378 795419848 /nfs/dbraw/zinc/41/98/48/795419848.db2.gz ISUSIHDSMXPZAG-GASCZTMLSA-N 1 3 313.461 2.237 20 0 DEADHO CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@H]1C ZINC001181440537 795479918 /nfs/dbraw/zinc/47/99/18/795479918.db2.gz JCWBQULPOSROHB-SOLBZPMBSA-N 1 3 309.498 2.343 20 0 DEADHO CC[N@@H+]1CC[C@H](CNCCC(=O)Nc2cccc(F)c2C)C1 ZINC001120573230 795488726 /nfs/dbraw/zinc/48/87/26/795488726.db2.gz MQNWLQFZZBUSDJ-CQSZACIVSA-N 1 3 307.413 2.394 20 0 DEADHO CC[N@H+]1CC[C@H](CNCCC(=O)Nc2cccc(F)c2C)C1 ZINC001120573230 795488728 /nfs/dbraw/zinc/48/87/28/795488728.db2.gz MQNWLQFZZBUSDJ-CQSZACIVSA-N 1 3 307.413 2.394 20 0 DEADHO CCN1CC[C@H](C[NH2+]CCC(=O)Nc2cccc(F)c2C)C1 ZINC001120573230 795488733 /nfs/dbraw/zinc/48/87/33/795488733.db2.gz MQNWLQFZZBUSDJ-CQSZACIVSA-N 1 3 307.413 2.394 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCF)C1 ZINC001181941717 795566068 /nfs/dbraw/zinc/56/60/68/795566068.db2.gz MKOJMUNVFGAEID-RHSMWYFYSA-N 1 3 315.477 2.151 20 0 DEADHO CCN(CC)CC(=O)NC1CC2(C1)CC([NH2+]CCC(C)C)C2 ZINC001121941074 795707566 /nfs/dbraw/zinc/70/75/66/795707566.db2.gz BUJPYWHQATYDPO-UHFFFAOYSA-N 1 3 309.498 2.391 20 0 DEADHO CCCC[NH2+]C[C@]1(C)CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001182615014 795721952 /nfs/dbraw/zinc/72/19/52/795721952.db2.gz UMZNWISUPHWNCW-JFIYKMOQSA-N 1 3 309.498 2.345 20 0 DEADHO CN(C(=O)CCCCC1CC[NH2+]CC1)[C@H]1CN2CCC1CC2 ZINC001122178698 795733302 /nfs/dbraw/zinc/73/33/02/795733302.db2.gz LSNTVBGEGSWCDW-KRWDZBQOSA-N 1 3 307.482 2.099 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC=C(C)C)C1 ZINC001182932976 795786289 /nfs/dbraw/zinc/78/62/89/795786289.db2.gz GBIRVZLXINAVSC-SJLPKXTDSA-N 1 3 309.498 2.369 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H](NC/C=C\Cl)C1 ZINC001183254823 795840050 /nfs/dbraw/zinc/84/00/50/795840050.db2.gz HDNZFFQVVBERAK-DGPIVGRDSA-N 1 3 313.873 2.192 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H](NC/C=C\Cl)C1 ZINC001183254823 795840056 /nfs/dbraw/zinc/84/00/56/795840056.db2.gz HDNZFFQVVBERAK-DGPIVGRDSA-N 1 3 313.873 2.192 20 0 DEADHO CC(C)=CC[NH2+]C[C@]1(C)CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001183516901 795879359 /nfs/dbraw/zinc/87/93/59/795879359.db2.gz DTNBONAUBJYBTF-SJLPKXTDSA-N 1 3 309.498 2.367 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H](C[NH2+]CC(C)C)[C@@H](C)C1 ZINC001184712183 796108257 /nfs/dbraw/zinc/10/82/57/796108257.db2.gz KFJJXNYHDXLSBO-HOTGVXAUSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)[NH2+]C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001185171780 796201839 /nfs/dbraw/zinc/20/18/39/796201839.db2.gz YDZVTEAWRFOFNZ-CVEARBPZSA-N 1 3 311.514 2.447 20 0 DEADHO CCC[NH2+]C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001185169749 796202103 /nfs/dbraw/zinc/20/21/03/796202103.db2.gz MQOMPUCADGANTG-JKSUJKDBSA-N 1 3 311.514 2.449 20 0 DEADHO CCC[NH2+]C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001185169748 796202474 /nfs/dbraw/zinc/20/24/74/796202474.db2.gz MQOMPUCADGANTG-HZPDHXFCSA-N 1 3 311.514 2.449 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H](C[NH2+]CC=C(C)C)[C@@H](C)C1 ZINC001185361311 796238910 /nfs/dbraw/zinc/23/89/10/796238910.db2.gz YEKVWGOVZHHFOQ-IRXDYDNUSA-N 1 3 309.498 2.369 20 0 DEADHO CCN(CCC[NH+](C)C)Cc1cccc(CN2CCOCC2)c1 ZINC001139059480 796316898 /nfs/dbraw/zinc/31/68/98/796316898.db2.gz CTJXXCDVRWCPED-UHFFFAOYSA-N 1 3 319.493 2.292 20 0 DEADHO CC[N@H+](CCCN(C)C)Cc1cccc(CN2CCOCC2)c1 ZINC001139059480 796316903 /nfs/dbraw/zinc/31/69/03/796316903.db2.gz CTJXXCDVRWCPED-UHFFFAOYSA-N 1 3 319.493 2.292 20 0 DEADHO CC[N@@H+](CCCN(C)C)Cc1cccc(CN2CCOCC2)c1 ZINC001139059480 796316906 /nfs/dbraw/zinc/31/69/06/796316906.db2.gz CTJXXCDVRWCPED-UHFFFAOYSA-N 1 3 319.493 2.292 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC[C@@H]([NH2+]C[C@@H](F)CC)C1 ZINC001186420627 796404277 /nfs/dbraw/zinc/40/42/77/796404277.db2.gz PRZCDZYANDMTOO-JKSUJKDBSA-N 1 3 315.477 2.437 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001186496949 796408437 /nfs/dbraw/zinc/40/84/37/796408437.db2.gz USUJTJAYCCEABX-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO C[NH+](C)CCCCC(=O)N1CC[C@@H](NCc2cccc(F)c2)C1 ZINC001187230715 796502283 /nfs/dbraw/zinc/50/22/83/796502283.db2.gz ADACVGVOISVOJE-QGZVFWFLSA-N 1 3 321.440 2.248 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CC3CCC3)C23CCC3)CCC1 ZINC001203030151 796516772 /nfs/dbraw/zinc/51/67/72/796516772.db2.gz WYRYLYCBUXKUDR-HOTGVXAUSA-N 1 3 319.493 2.288 20 0 DEADHO COC(=O)CC[N@H+](CCCN(C)C)Cc1ccc(O)c(C)c1 ZINC001140575168 796540429 /nfs/dbraw/zinc/54/04/29/796540429.db2.gz GBZMSWWLKFVNJX-UHFFFAOYSA-N 1 3 308.422 2.017 20 0 DEADHO COC(=O)CC[N@@H+](CCCN(C)C)Cc1ccc(O)c(C)c1 ZINC001140575168 796540431 /nfs/dbraw/zinc/54/04/31/796540431.db2.gz GBZMSWWLKFVNJX-UHFFFAOYSA-N 1 3 308.422 2.017 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCCC(C)C)C1 ZINC001188140234 796631642 /nfs/dbraw/zinc/63/16/42/796631642.db2.gz ZZNRUPSTTUMIAQ-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]Cc1ccc(F)cc1 ZINC001161226412 796815391 /nfs/dbraw/zinc/81/53/91/796815391.db2.gz GZFSWHNZXXULDZ-UHFFFAOYSA-N 1 3 309.429 2.152 20 0 DEADHO CC[C@@H](C)C[NH2+]CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001205490790 796946896 /nfs/dbraw/zinc/94/68/96/796946896.db2.gz ZJTPALNMYJGLKX-WBVHZDCISA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)N(C)CC(=O)NCC[NH2+]CC/C=C/c1ccccc1 ZINC001152433084 797186593 /nfs/dbraw/zinc/18/65/93/797186593.db2.gz TZGODTQBLNNHRZ-YRNVUSSQSA-N 1 3 303.450 2.136 20 0 DEADHO CCCOc1cccc(C[NH2+]CCNC(=O)CN(C)C(C)C)c1 ZINC001152426938 797186969 /nfs/dbraw/zinc/18/69/69/797186969.db2.gz QRGGHGQDMUBSAG-UHFFFAOYSA-N 1 3 321.465 2.021 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)CCCCCF)C1 ZINC001192343518 797365681 /nfs/dbraw/zinc/36/56/81/797365681.db2.gz PWWNXQYMIOTBPU-JKSUJKDBSA-N 1 3 313.461 2.143 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)CCCCCF)C1 ZINC001192343518 797365687 /nfs/dbraw/zinc/36/56/87/797365687.db2.gz PWWNXQYMIOTBPU-JKSUJKDBSA-N 1 3 313.461 2.143 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)CCCCCF)C1 ZINC001192343516 797367377 /nfs/dbraw/zinc/36/73/77/797367377.db2.gz PWWNXQYMIOTBPU-HOTGVXAUSA-N 1 3 313.461 2.143 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)CCCCCF)C1 ZINC001192343516 797367384 /nfs/dbraw/zinc/36/73/84/797367384.db2.gz PWWNXQYMIOTBPU-HOTGVXAUSA-N 1 3 313.461 2.143 20 0 DEADHO CCCCCC[N@H+](C)[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001192353234 797370976 /nfs/dbraw/zinc/37/09/76/797370976.db2.gz BSBZVZZJGUWIBC-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001192353234 797370982 /nfs/dbraw/zinc/37/09/82/797370982.db2.gz BSBZVZZJGUWIBC-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO CC[N@H+](CCCCCF)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001153828936 797405652 /nfs/dbraw/zinc/40/56/52/797405652.db2.gz UGWQIELAHXVLTN-OAHLLOKOSA-N 1 3 315.477 2.437 20 0 DEADHO CC[N@@H+](CCCCCF)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001153828936 797405656 /nfs/dbraw/zinc/40/56/56/797405656.db2.gz UGWQIELAHXVLTN-OAHLLOKOSA-N 1 3 315.477 2.437 20 0 DEADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cc2sc(C)cc2[nH]1 ZINC001154009033 797441631 /nfs/dbraw/zinc/44/16/31/797441631.db2.gz IFYBXFZFRQDCML-UHFFFAOYSA-N 1 3 321.450 2.215 20 0 DEADHO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cc(Cl)nc2c1CCNC2 ZINC001155031271 797664321 /nfs/dbraw/zinc/66/43/21/797664321.db2.gz MHHZEOLCNLKXKK-VXGBXAGGSA-N 1 3 308.857 2.428 20 0 DEADHO CC(C)C[C@@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194040699 797668995 /nfs/dbraw/zinc/66/89/95/797668995.db2.gz RTXQMESPMHJZTC-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[C@@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194040699 797668997 /nfs/dbraw/zinc/66/89/97/797668997.db2.gz RTXQMESPMHJZTC-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO c1ccc2c(c1)cc(N1CCCC1)nc2NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001155545216 797786027 /nfs/dbraw/zinc/78/60/27/797786027.db2.gz NVQCKRQOVLIPSZ-DNVCBOLYSA-N 1 3 324.428 2.378 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001196010520 797993126 /nfs/dbraw/zinc/99/31/26/797993126.db2.gz PILMPLMDIXPCKY-HOTGVXAUSA-N 1 3 315.477 2.247 20 0 DEADHO CC[C@H](C)C[N@H+]1CCCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001196010520 797993128 /nfs/dbraw/zinc/99/31/28/797993128.db2.gz PILMPLMDIXPCKY-HOTGVXAUSA-N 1 3 315.477 2.247 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[N@H+](CC)CCc1ccccc1 ZINC001156525249 798022124 /nfs/dbraw/zinc/02/21/24/798022124.db2.gz LPQRHPFBCFYPLK-QGZVFWFLSA-N 1 3 319.493 2.398 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[N@@H+](CC)CCc1ccccc1 ZINC001156525249 798022132 /nfs/dbraw/zinc/02/21/32/798022132.db2.gz LPQRHPFBCFYPLK-QGZVFWFLSA-N 1 3 319.493 2.398 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(F)cc1 ZINC001156524884 798023039 /nfs/dbraw/zinc/02/30/39/798023039.db2.gz FQLGNGIMYQUXLG-OAHLLOKOSA-N 1 3 323.456 2.494 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(F)cc1 ZINC001156524884 798023044 /nfs/dbraw/zinc/02/30/44/798023044.db2.gz FQLGNGIMYQUXLG-OAHLLOKOSA-N 1 3 323.456 2.494 20 0 DEADHO CCN(C(=S)NCCC[NH+](CC)CC)C1CCN(C)CC1 ZINC001196673601 798090730 /nfs/dbraw/zinc/09/07/30/798090730.db2.gz LHKWGQVYWONYOX-UHFFFAOYSA-N 1 3 314.543 2.009 20 0 DEADHO CC[C@H](C(=O)N1CCCN(CC[C@@H](C)F)CC1)[NH+](CC)CC ZINC001197142011 798147435 /nfs/dbraw/zinc/14/74/35/798147435.db2.gz RSSZFVJXOAVCPC-HZPDHXFCSA-N 1 3 315.477 2.389 20 0 DEADHO Cc1cnc(N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)c(CN)c1 ZINC001157168876 798154807 /nfs/dbraw/zinc/15/48/07/798154807.db2.gz BRIVTBNSDPGHNM-AWEZNQCLSA-N 1 3 322.453 2.100 20 0 DEADHO c1ccc([C@@H]2CN(c3nccc(C4CC[NH2+]CC4)n3)CCN2)cc1 ZINC001157764860 798274263 /nfs/dbraw/zinc/27/42/63/798274263.db2.gz JEGMWIVCXDRGDE-SFHVURJKSA-N 1 3 323.444 2.095 20 0 DEADHO C[NH+]1CCC(CN2CCN(c3cccc(Cl)n3)CC2)CC1 ZINC001157835989 798289978 /nfs/dbraw/zinc/28/99/78/798289978.db2.gz HUTGXBFBNUIUDW-UHFFFAOYSA-N 1 3 308.857 2.199 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]CC[C@H](C)F)CC1 ZINC001203902580 798323669 /nfs/dbraw/zinc/32/36/69/798323669.db2.gz GWUNUMUNCHOWHB-HOCLYGCPSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)[C@H](C(=O)N1CCCC[C@@]2(CCCC[NH2+]C2)C1)N(C)C ZINC001158031351 798329938 /nfs/dbraw/zinc/32/99/38/798329938.db2.gz LXZHICHDXWAFGG-SJLPKXTDSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN[C@@H](CNC(=O)CCC[NH+](C)C)c1ccccc1OC ZINC001198867165 798409439 /nfs/dbraw/zinc/40/94/39/798409439.db2.gz XYHPPKAPIILETQ-INIZCTEOSA-N 1 3 321.465 2.194 20 0 DEADHO C[N@H+](CCCCCF)C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001158533946 798423330 /nfs/dbraw/zinc/42/33/30/798423330.db2.gz NICZDGHRUJWSCA-MRXNPFEDSA-N 1 3 324.444 2.405 20 0 DEADHO C[N@@H+](CCCCCF)C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001158533946 798423335 /nfs/dbraw/zinc/42/33/35/798423335.db2.gz NICZDGHRUJWSCA-MRXNPFEDSA-N 1 3 324.444 2.405 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159853180 798618827 /nfs/dbraw/zinc/61/88/27/798618827.db2.gz ADUGENZVWWKGHR-UHFFFAOYSA-N 1 3 321.440 2.214 20 0 DEADHO C[C@@H]([NH2+]CCCNC(=O)CN(C)C1CCC1)c1cccc(F)c1 ZINC001160003310 798639197 /nfs/dbraw/zinc/63/91/97/798639197.db2.gz IRLFRLPACMEISG-CQSZACIVSA-N 1 3 321.440 2.467 20 0 DEADHO CCCCN(Cc1ccccc1)C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001160429708 798687741 /nfs/dbraw/zinc/68/77/41/798687741.db2.gz XSTSZHNXRUIWDP-QGZVFWFLSA-N 1 3 303.450 2.142 20 0 DEADHO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)C(=O)C(C)(C)C[NH3+] ZINC001160955816 798770032 /nfs/dbraw/zinc/77/00/32/798770032.db2.gz HYUUFHREMRBRHU-RDJZCZTQSA-N 1 3 317.477 2.340 20 0 DEADHO COC(=O)[C@@H]1CCCN(C2CC[NH+](CCCSC)CC2)C1 ZINC001201697636 798787163 /nfs/dbraw/zinc/78/71/63/798787163.db2.gz LFKAYKSRCVNXKF-CQSZACIVSA-N 1 3 314.495 2.089 20 0 DEADHO CN(C(=O)[C@H](N)C12CC3CC(CC(C3)C1)C2)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161061563 798789910 /nfs/dbraw/zinc/78/99/10/798789910.db2.gz HEVRRVIZSHXERP-NTUGHZTISA-N 1 3 319.493 2.258 20 0 DEADHO CN(CCN(C)C(=O)[C@@H]([NH3+])CC1CCC1)Cc1ccccc1 ZINC001161161280 798804137 /nfs/dbraw/zinc/80/41/37/798804137.db2.gz QBOWELAETJPQHX-KRWDZBQOSA-N 1 3 303.450 2.094 20 0 DEADHO CC(C)(C)C[NH+]1CCC(Nc2cc3c(nn2)CCNC3)CC1 ZINC001161208500 798810481 /nfs/dbraw/zinc/81/04/81/798810481.db2.gz BDLHEDBJTQBBSP-UHFFFAOYSA-N 1 3 303.454 2.045 20 0 DEADHO CN(C)CCN(C(=O)CCCc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001161443237 798860409 /nfs/dbraw/zinc/86/04/09/798860409.db2.gz NOBZFGDJJKWSLA-GOSISDBHSA-N 1 3 317.477 2.152 20 0 DEADHO C[C@]1(C[NH3+])CCCN(C(=O)[C@H]2CCC[C@@H](c3ccccc3)N2)C1 ZINC001161487757 798869028 /nfs/dbraw/zinc/86/90/28/798869028.db2.gz IJMBSHOCLPTJDH-YQVWRLOYSA-N 1 3 315.461 2.457 20 0 DEADHO CC(C)CCC[NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001202496273 798985749 /nfs/dbraw/zinc/98/57/49/798985749.db2.gz QVIMHJZRRNPNNU-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CN(C)Cc1ccc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)nc1 ZINC001162957547 799207660 /nfs/dbraw/zinc/20/76/60/799207660.db2.gz NNHJNRJHEVAJMR-MRXNPFEDSA-N 1 3 318.465 2.104 20 0 DEADHO CCN(CC)CCNC(=[NH2+])Nc1ncnc2c(C)cccc12 ZINC001163122422 799251585 /nfs/dbraw/zinc/25/15/85/799251585.db2.gz JRNDEYTUZPHRJD-UHFFFAOYSA-N 1 3 300.410 2.216 20 0 DEADHO Nc1cccc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)n1 ZINC001165265273 799690833 /nfs/dbraw/zinc/69/08/33/799690833.db2.gz PIMYWRBOJDGGNV-GFCCVEGCSA-N 1 3 300.328 2.175 20 0 DEADHO CCCCC[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001165485347 799736757 /nfs/dbraw/zinc/73/67/57/799736757.db2.gz SOSNDCPMLHDHMP-MRXNPFEDSA-N 1 3 309.498 2.393 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)CN2CC[C@H](C)C2)c1 ZINC001166678115 799918080 /nfs/dbraw/zinc/91/80/80/799918080.db2.gz SHNGCTDOOTUBAF-DLBZAZTESA-N 1 3 317.477 2.494 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CC2CCCCCC2)C1 ZINC001166678953 799919616 /nfs/dbraw/zinc/91/96/16/799919616.db2.gz ZPKKAGHFKABCGM-INIZCTEOSA-N 1 3 309.498 2.395 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)c1ccccc1F)N(C)C ZINC001166852507 799965924 /nfs/dbraw/zinc/96/59/24/799965924.db2.gz RUIFZXQUBWBBLP-BBRMVZONSA-N 1 3 309.429 2.323 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+][C@H]1CCc2ccccc21)N(C)C ZINC001166857279 799966598 /nfs/dbraw/zinc/96/65/98/799966598.db2.gz BNPDZTMJYQZPRT-IRXDYDNUSA-N 1 3 303.450 2.110 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1C[C@@H]([NH2+]C/C=C/Cl)C12CCC2 ZINC001203523411 800068951 /nfs/dbraw/zinc/06/89/51/800068951.db2.gz QZLSEEJPRLXCTM-VAIDBEGPSA-N 1 3 313.873 2.098 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCC2)C12CCC2 ZINC001203522652 800069352 /nfs/dbraw/zinc/06/93/52/800069352.db2.gz NRTKNICLWSMURH-HZPDHXFCSA-N 1 3 307.482 2.145 20 0 DEADHO C[NH+]1CCC(CN2CCN(Cc3ccc(F)c(F)c3)CC2)CC1 ZINC001204226774 800191408 /nfs/dbraw/zinc/19/14/08/800191408.db2.gz OUHVWEBNYWUBOG-UHFFFAOYSA-N 1 3 323.431 2.424 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000933913959 800215166 /nfs/dbraw/zinc/21/51/66/800215166.db2.gz MUFIBDRTFAMANZ-IXDOHACOSA-N 1 3 307.482 2.333 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000933913959 800215171 /nfs/dbraw/zinc/21/51/71/800215171.db2.gz MUFIBDRTFAMANZ-IXDOHACOSA-N 1 3 307.482 2.333 20 0 DEADHO Cc1cc(CN2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)ccc1F ZINC001205181228 800312104 /nfs/dbraw/zinc/31/21/04/800312104.db2.gz USWSZCJPGPGXBV-ZWKOTPCHSA-N 1 3 305.441 2.344 20 0 DEADHO Cc1cc(CN2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)ccc1F ZINC001205181228 800312107 /nfs/dbraw/zinc/31/21/07/800312107.db2.gz USWSZCJPGPGXBV-ZWKOTPCHSA-N 1 3 305.441 2.344 20 0 DEADHO C[C@H]1CCN(Cc2cnc(C(F)(F)F)nc2)CC[C@H]1C[NH3+] ZINC001205627362 800390257 /nfs/dbraw/zinc/39/02/57/800390257.db2.gz OKTZHGVQYLJYTK-JQWIXIFHSA-N 1 3 302.344 2.302 20 0 DEADHO [NH3+]C[C@]1(O)CCCCN(Cc2cccc(-c3ccccn3)c2)C1 ZINC001205680797 800400143 /nfs/dbraw/zinc/40/01/43/800400143.db2.gz AVXMYTAVIDESGE-LJQANCHMSA-N 1 3 311.429 2.424 20 0 DEADHO NC[C@]1(O)CCCC[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC001205680797 800400144 /nfs/dbraw/zinc/40/01/44/800400144.db2.gz AVXMYTAVIDESGE-LJQANCHMSA-N 1 3 311.429 2.424 20 0 DEADHO NC[C@]1(O)CCCC[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC001205680797 800400148 /nfs/dbraw/zinc/40/01/48/800400148.db2.gz AVXMYTAVIDESGE-LJQANCHMSA-N 1 3 311.429 2.424 20 0 DEADHO CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CC[C@@H](N)[C@@H](F)CC2)c1C ZINC001206167510 800481986 /nfs/dbraw/zinc/48/19/86/800481986.db2.gz ZOMUAIKHNZGBFC-UONOGXRCSA-N 1 3 311.401 2.069 20 0 DEADHO CCOC(=O)c1[nH]c(C)c(C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)c1C ZINC001206167510 800481989 /nfs/dbraw/zinc/48/19/89/800481989.db2.gz ZOMUAIKHNZGBFC-UONOGXRCSA-N 1 3 311.401 2.069 20 0 DEADHO CC[C@@H](C)C[NH2+]CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001206275728 800501177 /nfs/dbraw/zinc/50/11/77/800501177.db2.gz ZMIMGDKHYVFGQV-HZPDHXFCSA-N 1 3 309.498 2.203 20 0 DEADHO CC1(C)CCN(CC(=O)N2CCC(C[NH2+]CCC3CC3)CC2)C1 ZINC001206288441 800502745 /nfs/dbraw/zinc/50/27/45/800502745.db2.gz RZQRYVNAUJBFHZ-UHFFFAOYSA-N 1 3 321.509 2.347 20 0 DEADHO CN(CC(=O)N1CCC(C[NH2+]CC2CC2)CC1)CC(C)(C)C ZINC001206300439 800504796 /nfs/dbraw/zinc/50/47/96/800504796.db2.gz DQSWUMFJSKDNRS-UHFFFAOYSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)(C)c1[nH]c2ccccc2c1CN1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206469526 800538571 /nfs/dbraw/zinc/53/85/71/800538571.db2.gz RCOOKFGJKRGOQG-BLLLJJGKSA-N 1 3 301.434 2.217 20 0 DEADHO [NH3+]C[C@H]1CCCCN(Cc2ccccc2N2CCOCC2)C1 ZINC001206624042 800566664 /nfs/dbraw/zinc/56/66/64/800566664.db2.gz QXWANWSQKSPVLR-MRXNPFEDSA-N 1 3 303.450 2.084 20 0 DEADHO CC(C)NC(=O)c1ccc(CN2CCCC[C@@H](C[NH3+])C2)cc1 ZINC001206624250 800567264 /nfs/dbraw/zinc/56/72/64/800567264.db2.gz RXENZUCLJSIJGC-INIZCTEOSA-N 1 3 303.450 2.386 20 0 DEADHO CCCN(C)CC(=O)N1CCC(C[NH2+]CC2CC(C)C2)CC1 ZINC001206890215 800619088 /nfs/dbraw/zinc/61/90/88/800619088.db2.gz GUSWDNJXEZQDFR-UHFFFAOYSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000935571127 800698355 /nfs/dbraw/zinc/69/83/55/800698355.db2.gz CHMUNBBBYILFBB-SFHVURJKSA-N 1 3 317.477 2.280 20 0 DEADHO CCN1C[C@@H]2C[N@@H+](C[C@H]3CCN(C(=O)OC(C)(C)C)C3)C[C@@H]2C1 ZINC001207217306 800712386 /nfs/dbraw/zinc/71/23/86/800712386.db2.gz XIJDCCRRYANYJO-OAGGEKHMSA-N 1 3 323.481 2.127 20 0 DEADHO CCN1C[C@@H]2C[N@H+](C[C@H]3CCN(C(=O)OC(C)(C)C)C3)C[C@@H]2C1 ZINC001207217306 800712391 /nfs/dbraw/zinc/71/23/91/800712391.db2.gz XIJDCCRRYANYJO-OAGGEKHMSA-N 1 3 323.481 2.127 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C)N(C)C ZINC001207652749 800798610 /nfs/dbraw/zinc/79/86/10/800798610.db2.gz KESAUMLHRPWSBJ-OIISXLGYSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C)N(C)C ZINC001207652749 800798616 /nfs/dbraw/zinc/79/86/16/800798616.db2.gz KESAUMLHRPWSBJ-OIISXLGYSA-N 1 3 309.498 2.199 20 0 DEADHO CC1(C)OC[C@H](C[NH+]2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)O1 ZINC001207931250 800866519 /nfs/dbraw/zinc/86/65/19/800866519.db2.gz XMJOEKDATAHBEE-KURKYZTESA-N 1 3 316.445 2.202 20 0 DEADHO CN(C)CC1(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)CCCC1 ZINC001208185228 800925181 /nfs/dbraw/zinc/92/51/81/800925181.db2.gz XQIPLRQVFBDQIJ-CQSZACIVSA-N 1 3 308.388 2.355 20 0 DEADHO CN(C)CC1(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)CCCC1 ZINC001208185228 800925186 /nfs/dbraw/zinc/92/51/86/800925186.db2.gz XQIPLRQVFBDQIJ-CQSZACIVSA-N 1 3 308.388 2.355 20 0 DEADHO CN(C)CC1(C[N@@H+]2CCC[C@@H](Oc3ncccn3)C2)CCCC1 ZINC001208188135 800927168 /nfs/dbraw/zinc/92/71/68/800927168.db2.gz GMPXSSDJJKKGSC-MRXNPFEDSA-N 1 3 318.465 2.442 20 0 DEADHO CN(C)CC1(C[N@H+]2CCC[C@@H](Oc3ncccn3)C2)CCCC1 ZINC001208188135 800927174 /nfs/dbraw/zinc/92/71/74/800927174.db2.gz GMPXSSDJJKKGSC-MRXNPFEDSA-N 1 3 318.465 2.442 20 0 DEADHO CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001208334354 800957858 /nfs/dbraw/zinc/95/78/58/800957858.db2.gz IQVRULYLYNXWHE-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001208446898 800984058 /nfs/dbraw/zinc/98/40/58/800984058.db2.gz CLSALKSGGQLHJM-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C)N(C)C ZINC001208515375 801001240 /nfs/dbraw/zinc/00/12/40/801001240.db2.gz KESAUMLHRPWSBJ-DJIMGWMZSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C)N(C)C ZINC001208515375 801001244 /nfs/dbraw/zinc/00/12/44/801001244.db2.gz KESAUMLHRPWSBJ-DJIMGWMZSA-N 1 3 309.498 2.199 20 0 DEADHO CC[NH+]1CCC(CN(CCC(=O)OC)Cc2ccco2)CC1 ZINC001208600865 801025018 /nfs/dbraw/zinc/02/50/18/801025018.db2.gz YCDZFQQUSXMIQU-UHFFFAOYSA-N 1 3 308.422 2.377 20 0 DEADHO COC(=O)C[C@H]1CCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208957988 801101647 /nfs/dbraw/zinc/10/16/47/801101647.db2.gz NATHTVKAGZDIOU-MSOLQXFVSA-N 1 3 316.445 2.394 20 0 DEADHO COC(=O)C[C@H]1CCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208957988 801101650 /nfs/dbraw/zinc/10/16/50/801101650.db2.gz NATHTVKAGZDIOU-MSOLQXFVSA-N 1 3 316.445 2.394 20 0 DEADHO CC[C@H](C[N@@H+]1CC[C@@]2(CCN(C)C2)C1)NC(=O)OC(C)(C)C ZINC001209465516 801196037 /nfs/dbraw/zinc/19/60/37/801196037.db2.gz GRWLWGHCFYERMK-RHSMWYFYSA-N 1 3 311.470 2.317 20 0 DEADHO CC[C@H](C[N@H+]1CC[C@@]2(CCN(C)C2)C1)NC(=O)OC(C)(C)C ZINC001209465516 801196041 /nfs/dbraw/zinc/19/60/41/801196041.db2.gz GRWLWGHCFYERMK-RHSMWYFYSA-N 1 3 311.470 2.317 20 0 DEADHO C[C@@H](c1ccc(F)cc1)N1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001229008533 801207565 /nfs/dbraw/zinc/20/75/65/801207565.db2.gz PLVZIAYOOGCZAI-AWEZNQCLSA-N 1 3 321.440 2.419 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CCCCCF)C2)C1 ZINC001209641600 801243005 /nfs/dbraw/zinc/24/30/05/801243005.db2.gz JNVCOSRJGZOMGO-JKSUJKDBSA-N 1 3 313.461 2.049 20 0 DEADHO C[C@H]1CN(Cc2c[nH+]ccc2N)CCC[C@@]1(O)C(F)(F)F ZINC001209729386 801265533 /nfs/dbraw/zinc/26/55/33/801265533.db2.gz JIDZMKDGKPXYCS-GWCFXTLKSA-N 1 3 303.328 2.019 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCCF)C1 ZINC001209951743 801311478 /nfs/dbraw/zinc/31/14/78/801311478.db2.gz MOCOQJIMFUPWQE-JKSUJKDBSA-N 1 3 313.461 2.190 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001210216888 801351934 /nfs/dbraw/zinc/35/19/34/801351934.db2.gz BKYMKTNUDDDZOP-KRWDZBQOSA-N 1 3 307.482 2.409 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001210221333 801355015 /nfs/dbraw/zinc/35/50/15/801355015.db2.gz ZXNWIIIOXKUMPH-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN(C)CC(=O)NC1CC[NH+](CCc2cccs2)CC1 ZINC001230113048 801362181 /nfs/dbraw/zinc/36/21/81/801362181.db2.gz OQRKDYJWLHHWJB-UHFFFAOYSA-N 1 3 323.506 2.213 20 0 DEADHO CCC[N@H+](CCCNC(=O)[C@H](CC)N(C)C)Cc1cccnc1 ZINC001230848999 801511335 /nfs/dbraw/zinc/51/13/35/801511335.db2.gz GKMZVVXSBXYTPW-KRWDZBQOSA-N 1 3 320.481 2.140 20 0 DEADHO CCC[N@@H+](CCCNC(=O)[C@H](CC)N(C)C)Cc1cccnc1 ZINC001230848999 801511338 /nfs/dbraw/zinc/51/13/38/801511338.db2.gz GKMZVVXSBXYTPW-KRWDZBQOSA-N 1 3 320.481 2.140 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001211282387 801541948 /nfs/dbraw/zinc/54/19/48/801541948.db2.gz AGRXAYKJPOPTBL-INIZCTEOSA-N 1 3 309.498 2.343 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2)C1 ZINC001215004019 801789863 /nfs/dbraw/zinc/78/98/63/801789863.db2.gz PWDYOSRZBKINEY-NVXWUHKLSA-N 1 3 317.477 2.353 20 0 DEADHO CC1(C)N[C@H](CO[C@H]2CCC[N@H+](Cc3ccccc3)C2)CO1 ZINC001217823246 802113982 /nfs/dbraw/zinc/11/39/82/802113982.db2.gz PEKHHMMTPVIPOG-SJORKVTESA-N 1 3 304.434 2.392 20 0 DEADHO CC1(C)N[C@H](CO[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CO1 ZINC001217823246 802113989 /nfs/dbraw/zinc/11/39/89/802113989.db2.gz PEKHHMMTPVIPOG-SJORKVTESA-N 1 3 304.434 2.392 20 0 DEADHO c1ccc2c(c1)CNC[C@H]2Oc1cccc(CN2CC[NH2+]CC2)c1 ZINC001218487493 802190523 /nfs/dbraw/zinc/19/05/23/802190523.db2.gz UPFHRLURFBHKSK-HXUWFJFHSA-N 1 3 323.440 2.315 20 0 DEADHO O=C(Nc1cc([C@H]2CCCN2)no1)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001218714403 802231674 /nfs/dbraw/zinc/23/16/74/802231674.db2.gz YFJJYPLIULYHIA-QWHCGFSZSA-N 1 3 318.421 2.208 20 0 DEADHO Cc1nc(-c2cccc(NC(=O)[C@@H](N)CCC[NH3+])c2)cs1 ZINC001218813222 802244677 /nfs/dbraw/zinc/24/46/77/802244677.db2.gz WSBHHRLVEWHLOD-ZDUSSCGKSA-N 1 3 304.419 2.123 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cccc2cnncc21 ZINC001218892733 802253287 /nfs/dbraw/zinc/25/32/87/802253287.db2.gz YGHIVYAVYDPMHA-HNNXBMFYSA-N 1 3 315.421 2.064 20 0 DEADHO CC(C)(C)c1cccc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c1 ZINC001218900086 802255818 /nfs/dbraw/zinc/25/58/18/802255818.db2.gz AUWJESGYLDHKLD-RDTXWAMCSA-N 1 3 301.434 2.122 20 0 DEADHO N[C@H](C(=O)Nc1ccc(-c2cccnc2)cc1)C1CC[NH2+]CC1 ZINC001218915072 802259430 /nfs/dbraw/zinc/25/94/30/802259430.db2.gz KOYPCQRNRIPDKX-KRWDZBQOSA-N 1 3 310.401 2.014 20 0 DEADHO CCN(CC)c1ccc(NC(=O)[C@H](N)C2CC[NH2+]CC2)c(C)c1 ZINC001218923423 802260625 /nfs/dbraw/zinc/26/06/25/802260625.db2.gz SDXSQIUHQMEMRX-QGZVFWFLSA-N 1 3 318.465 2.107 20 0 DEADHO [NH3+]C1(c2ccc(NC(=O)C[C@H]3CCNC[C@H]3F)cc2)CCC1 ZINC001218972440 802268265 /nfs/dbraw/zinc/26/82/65/802268265.db2.gz OMMDHNDBOCPMQM-IUODEOHRSA-N 1 3 305.397 2.301 20 0 DEADHO [NH3+][C@H](C(=O)Nc1ccc2c(c1)CNCCO2)C1CCCCC1 ZINC001219028331 802276556 /nfs/dbraw/zinc/27/65/56/802276556.db2.gz ZVUMVTCBJUOAHB-INIZCTEOSA-N 1 3 303.406 2.015 20 0 DEADHO Nc1ccc(-c2cccs2)cc1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001219431397 802328161 /nfs/dbraw/zinc/32/81/61/802328161.db2.gz AVZPEHZJQZCYEI-ZDUSSCGKSA-N 1 3 318.446 2.392 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCc1ccc2c(c1)CCC2 ZINC001219571761 802346940 /nfs/dbraw/zinc/34/69/40/802346940.db2.gz OPUALRKMLWCZFZ-SFHVURJKSA-N 1 3 317.477 2.287 20 0 DEADHO C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001219996901 802400318 /nfs/dbraw/zinc/40/03/18/802400318.db2.gz FPZQFYKECXYHGE-HANOVZDXSA-N 1 3 307.482 2.164 20 0 DEADHO C[C@@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)C12CC3CC(CC(C3)C1)C2 ZINC001219997084 802400526 /nfs/dbraw/zinc/40/05/26/802400526.db2.gz LLCVAFANKGJIGT-XHRNPLNVSA-N 1 3 319.493 2.034 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC(C)(C)C1 ZINC001220289272 802439325 /nfs/dbraw/zinc/43/93/25/802439325.db2.gz YCIBWBRMNUJHJY-QLFBSQMISA-N 1 3 307.482 2.192 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CC(C)(C)C1 ZINC001220289272 802439329 /nfs/dbraw/zinc/43/93/29/802439329.db2.gz YCIBWBRMNUJHJY-QLFBSQMISA-N 1 3 307.482 2.192 20 0 DEADHO N[C@@H](C(=O)N[C@H](c1ccccc1)C1CCCC1)C1CC[NH2+]CC1 ZINC001220441092 802460984 /nfs/dbraw/zinc/46/09/84/802460984.db2.gz RBDDVMHRCGCWGN-QZTJIDSGSA-N 1 3 315.461 2.361 20 0 DEADHO N[C@@H](C(=O)NC1(c2cccc3ccccc32)CC1)C1CC[NH2+]CC1 ZINC001220878830 802506697 /nfs/dbraw/zinc/50/66/97/802506697.db2.gz SKEZWHLJQPJHAA-GOSISDBHSA-N 1 3 323.440 2.272 20 0 DEADHO CC[NH+](CC)[C@@H](C(=O)N1C[C@H]2CCN(C(C)C)C[C@H]21)C(C)C ZINC001221877662 802624179 /nfs/dbraw/zinc/62/41/79/802624179.db2.gz CFHQGNLENBFEHC-BRWVUGGUSA-N 1 3 309.498 2.294 20 0 DEADHO CCc1cccc(C)c1CN1CC[NH2+]C[C@]2(CCCCN2)C1 ZINC001222690913 802730062 /nfs/dbraw/zinc/73/00/62/802730062.db2.gz ABTBPZRPYCBODY-LJQANCHMSA-N 1 3 301.478 2.475 20 0 DEADHO CC[C@H](C)C[NH+]1CCC(CNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001223464856 802792004 /nfs/dbraw/zinc/79/20/04/802792004.db2.gz CIWQCVBLRJSRSX-YOEHRIQHSA-N 1 3 309.498 2.201 20 0 DEADHO CCc1cccc(C[N@@H+](C)CCNC(=O)[C@H](CC)N(C)C)c1 ZINC001418496018 1167716064 /nfs/dbraw/zinc/71/60/64/1167716064.db2.gz PEYMHLSNPJCRAO-KRWDZBQOSA-N 1 3 305.466 2.137 20 0 DEADHO CCc1cccc(C[N@H+](C)CCNC(=O)[C@H](CC)N(C)C)c1 ZINC001418496018 1167716080 /nfs/dbraw/zinc/71/60/80/1167716080.db2.gz PEYMHLSNPJCRAO-KRWDZBQOSA-N 1 3 305.466 2.137 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC12CC[NH+](CC1CCC1)CC2)N(C)C ZINC001370077221 1149380010 /nfs/dbraw/zinc/38/00/10/1149380010.db2.gz GWAZORBGUDNHFF-IAGOWNOFSA-N 1 3 321.509 2.343 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H](C[N@@H+](C)CCC3CC3)C2)CCC1 ZINC001418930612 1168073349 /nfs/dbraw/zinc/07/33/49/1168073349.db2.gz KDGRWWYTSFZGJA-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H](C[N@@H+](C)CCCF)C1)N(C)C ZINC001419336192 1168409536 /nfs/dbraw/zinc/40/95/36/1168409536.db2.gz CLNWJIVNMBUVJK-CVEARBPZSA-N 1 3 315.477 2.103 20 0 DEADHO CC(C)[C@@H](CNC(=O)[C@@H]1CCCCN1C(C)C)[NH2+]CC1CC1 ZINC001419897049 1168896451 /nfs/dbraw/zinc/89/64/51/1168896451.db2.gz AUIARHSIXHJKRH-SJORKVTESA-N 1 3 309.498 2.390 20 0 DEADHO CC[C@H](F)CN1CCC2(CN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001368423467 1148440747 /nfs/dbraw/zinc/44/07/47/1148440747.db2.gz NILKOYGOWQABTF-HNNXBMFYSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@H](F)CN1CCC2(CN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001368423467 1148440751 /nfs/dbraw/zinc/44/07/51/1148440751.db2.gz NILKOYGOWQABTF-HNNXBMFYSA-N 1 3 313.461 2.001 20 0 DEADHO CC(C)(C)[C@@]1(CN)CC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC001575116639 1069370380 /nfs/dbraw/zinc/37/03/80/1069370380.db2.gz VZROIHAOMIOIPA-IEBWSBKVSA-N 1 3 320.477 2.261 20 0 DEADHO CC(C)(C)[C@@]1(CN)CC[N@@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC001575116639 1069370393 /nfs/dbraw/zinc/37/03/93/1069370393.db2.gz VZROIHAOMIOIPA-IEBWSBKVSA-N 1 3 320.477 2.261 20 0 DEADHO CC1CC(C[NH2+]C2(CNC(=O)C3(N(C)C)CCC3)CCC2)C1 ZINC001368478545 1148461168 /nfs/dbraw/zinc/46/11/68/1148461168.db2.gz SYCHQVYTCWBVJR-UHFFFAOYSA-N 1 3 307.482 2.145 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)CCc1ccccc1)N(C)C ZINC001368949125 1148802804 /nfs/dbraw/zinc/80/28/04/1148802804.db2.gz BWJARJPLFOBIIL-NVXWUHKLSA-N 1 3 305.466 2.006 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CCc1ccccc1)N(C)C ZINC001368949125 1148802807 /nfs/dbraw/zinc/80/28/07/1148802807.db2.gz BWJARJPLFOBIIL-NVXWUHKLSA-N 1 3 305.466 2.006 20 0 DEADHO CC(C)[C@H](C(=O)NCC1([NH2+]CC2CCCC2)CCC1)N(C)C ZINC001368491882 1148465809 /nfs/dbraw/zinc/46/58/09/1148465809.db2.gz YXWPEBUOWPQUGI-MRXNPFEDSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H](C)N(C)Cc1ccc(F)cc1)[NH+](C)C ZINC001368960503 1148808130 /nfs/dbraw/zinc/80/81/30/1148808130.db2.gz LQMMSYPEOPTHGN-YOEHRIQHSA-N 1 3 323.456 2.348 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CC2CCCC2)CC1)N(C)C ZINC001368512297 1148472138 /nfs/dbraw/zinc/47/21/38/1148472138.db2.gz KACHXPIDRHXVHE-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)CC1)N(C)C ZINC001368512297 1148472141 /nfs/dbraw/zinc/47/21/41/1148472141.db2.gz KACHXPIDRHXVHE-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](F)CC[N@H+](C)[C@@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001368976249 1148814665 /nfs/dbraw/zinc/81/46/65/1148814665.db2.gz HMSPDNRPJISEIC-KGLIPLIRSA-N 1 3 303.466 2.149 20 0 DEADHO C[C@@H](F)CC[N@@H+](C)[C@@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001368976249 1148814667 /nfs/dbraw/zinc/81/46/67/1148814667.db2.gz HMSPDNRPJISEIC-KGLIPLIRSA-N 1 3 303.466 2.149 20 0 DEADHO C[NH2+]CCCN(C)C(=O)[C@@H]1CCCCN1Cc1cccc(C)c1 ZINC001328594557 1148814308 /nfs/dbraw/zinc/81/43/08/1148814308.db2.gz YVQYJUZQRKQMHU-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO C[NH+](C)CCC(=O)N[C@H]1CCCN(Cc2cccc(F)c2)CC1 ZINC001368516173 1148473636 /nfs/dbraw/zinc/47/36/36/1148473636.db2.gz RKZOIJVGGDYLFB-KRWDZBQOSA-N 1 3 321.440 2.248 20 0 DEADHO CC[C@H](CNC(=O)[C@H]1CCCN1C(C)C)[NH2+]C/C=C/Cl ZINC001367097577 1147649379 /nfs/dbraw/zinc/64/93/79/1147649379.db2.gz DMGKMEHDUUIQQI-RTIZMKJZSA-N 1 3 301.862 2.096 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[N@H+](CC2CCC2)CC1(C)C)N(C)C ZINC001369116406 1148851664 /nfs/dbraw/zinc/85/16/64/1148851664.db2.gz GYTWMDKYEPQTAR-JKSUJKDBSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[N@@H+](CC2CCC2)CC1(C)C)N(C)C ZINC001369116406 1148851666 /nfs/dbraw/zinc/85/16/66/1148851666.db2.gz GYTWMDKYEPQTAR-JKSUJKDBSA-N 1 3 309.498 2.199 20 0 DEADHO C[C@@H](CC[NH+](C)C)C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC001450689192 1056448364 /nfs/dbraw/zinc/44/83/64/1056448364.db2.gz HVRAYKJBHLFJMA-BBRMVZONSA-N 1 3 309.429 2.132 20 0 DEADHO CN1C[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)C(C)(C)C1 ZINC001456161906 1057823615 /nfs/dbraw/zinc/82/36/15/1057823615.db2.gz ZCBLIAFQJUVCNA-KRWDZBQOSA-N 1 3 315.461 2.352 20 0 DEADHO CC1CCN(CC[C@H]2CCC[N@@H+]2C[C@H]2CCNC(=O)CC2)CC1 ZINC001460627668 1058482017 /nfs/dbraw/zinc/48/20/17/1058482017.db2.gz QFPXIJCNLYKHFC-QZTJIDSGSA-N 1 3 321.509 2.489 20 0 DEADHO CC1CCN(CC[C@H]2CCC[N@H+]2C[C@H]2CCNC(=O)CC2)CC1 ZINC001460627668 1058482028 /nfs/dbraw/zinc/48/20/28/1058482028.db2.gz QFPXIJCNLYKHFC-QZTJIDSGSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CCC(F)(F)F)C1)N(C)C ZINC001500393031 1058746735 /nfs/dbraw/zinc/74/67/35/1058746735.db2.gz KKQZTKUSDVZYJX-GXTWGEPZSA-N 1 3 323.403 2.107 20 0 DEADHO CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCCCN1CC ZINC001501199723 1059368402 /nfs/dbraw/zinc/36/84/02/1059368402.db2.gz ALZAVQHDKUPMSC-SFHVURJKSA-N 1 3 317.477 2.499 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+]CC[C@H](C)F)CC1)N(C)C ZINC001501718044 1059660677 /nfs/dbraw/zinc/66/06/77/1059660677.db2.gz BNUULMWVPJSPDO-VGWMRTNUSA-N 1 3 315.477 2.339 20 0 DEADHO CC(C)CCC[NH+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001501745442 1059681173 /nfs/dbraw/zinc/68/11/73/1059681173.db2.gz YYHXAGDSVRMKHG-UHFFFAOYSA-N 1 3 318.465 2.313 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C1C[NH+](CCc2cccs2)C1 ZINC001369167167 1148859537 /nfs/dbraw/zinc/85/95/37/1148859537.db2.gz RUYOBGAUAMIPJV-AWEZNQCLSA-N 1 3 323.506 2.069 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]CC[C@H](C)F)CCC1 ZINC001501950533 1059800175 /nfs/dbraw/zinc/80/01/75/1059800175.db2.gz KTOMKMZHSFATQG-GJZGRUSLSA-N 1 3 313.461 2.236 20 0 DEADHO CCC1([NH2+]CC[C@@H](C)F)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001502482881 1060148732 /nfs/dbraw/zinc/14/87/32/1060148732.db2.gz KIGWURAWVZWXBT-CABCVRRESA-N 1 3 313.461 2.190 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[N@H+](C)CCC2CC2)CCC1 ZINC001505434458 1060595724 /nfs/dbraw/zinc/59/57/24/1060595724.db2.gz RFFBGARSEIBNII-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[N@@H+](C)CCC2CC2)CCC1 ZINC001505434458 1060595744 /nfs/dbraw/zinc/59/57/44/1060595744.db2.gz RFFBGARSEIBNII-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO Cc1ccc(C[NH2+]CC2CC(NC(=O)CN(C)C(C)C)C2)cc1 ZINC001505537875 1060685197 /nfs/dbraw/zinc/68/51/97/1060685197.db2.gz OKYCZCCQEZNETL-UHFFFAOYSA-N 1 3 317.477 2.320 20 0 DEADHO C[C@@H]1C[N@H+](CCCNCc2cccc3nsnc32)CCCO1 ZINC001474110537 1060817467 /nfs/dbraw/zinc/81/74/67/1060817467.db2.gz MJTFABLINXQCCB-CYBMUJFWSA-N 1 3 320.462 2.282 20 0 DEADHO C[C@@H]1C[N@@H+](CCCNCc2cccc3nsnc32)CCCO1 ZINC001474110537 1060817480 /nfs/dbraw/zinc/81/74/80/1060817480.db2.gz MJTFABLINXQCCB-CYBMUJFWSA-N 1 3 320.462 2.282 20 0 DEADHO CCOCOc1ccc(CNC[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001474735243 1060925712 /nfs/dbraw/zinc/92/57/12/1060925712.db2.gz LUWRNIUSEKZUHK-QGZVFWFLSA-N 1 3 304.434 2.491 20 0 DEADHO C[C@@H](N[C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1)c1ccccc1F ZINC001479394177 1061437134 /nfs/dbraw/zinc/43/71/34/1061437134.db2.gz ZETGFJZWERDPSO-RBSFLKMASA-N 1 3 321.440 2.323 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[N@H+](C)[C@H]1CCc2ccccc21 ZINC001506065276 1061634868 /nfs/dbraw/zinc/63/48/68/1061634868.db2.gz MGSMMLVGNBAHLH-YJBOKZPZSA-N 1 3 317.477 2.451 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001506065276 1061634878 /nfs/dbraw/zinc/63/48/78/1061634878.db2.gz MGSMMLVGNBAHLH-YJBOKZPZSA-N 1 3 317.477 2.451 20 0 DEADHO CCc1ccc(CN2CC[C@H](NC(=O)CC[NH+](C)C)[C@H]2C)cc1 ZINC001479718871 1061638698 /nfs/dbraw/zinc/63/86/98/1061638698.db2.gz YZZUWPUHFSORFF-QAPCUYQASA-N 1 3 317.477 2.280 20 0 DEADHO CCN(CCF)CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001479855555 1061918585 /nfs/dbraw/zinc/91/85/85/1061918585.db2.gz AQHFSIGMCTXFFS-HNNXBMFYSA-N 1 3 301.450 2.049 20 0 DEADHO CCCN(C)CC(=O)N(C)C1CC[NH+](CC2CCCC2)CC1 ZINC001479895031 1062005162 /nfs/dbraw/zinc/00/51/62/1062005162.db2.gz CBOWSCLGALQFRB-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@H](NC(=O)CN(C)C1CCC1)C1CC[NH+](CCCF)CC1 ZINC001508075244 1063537131 /nfs/dbraw/zinc/53/71/31/1063537131.db2.gz UVHXBFFOPPSNDL-AWEZNQCLSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)=CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001567621628 1064285398 /nfs/dbraw/zinc/28/53/98/1064285398.db2.gz XAMXLVBUKPSWIB-NVXWUHKLSA-N 1 3 307.482 2.264 20 0 DEADHO C[C@H](F)CC[NH2+]C[C@H]1CCCN1C(=O)CN(C)CC(C)(C)C ZINC001568146626 1064669905 /nfs/dbraw/zinc/66/99/05/1064669905.db2.gz OOCZGPXUUJWLIE-LSDHHAIUSA-N 1 3 315.477 2.293 20 0 DEADHO CCCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001568248219 1064727436 /nfs/dbraw/zinc/72/74/36/1064727436.db2.gz GPVYNZALXFGWRV-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]C/C=C\c1ccccc1)N(C)C ZINC001568281890 1064751905 /nfs/dbraw/zinc/75/19/05/1064751905.db2.gz YZAQXZYAACCDPB-XOFUYBQVSA-N 1 3 317.477 2.477 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H](CC[NH2+]CC2CC2)C1)N(C)C ZINC001495379566 1064871188 /nfs/dbraw/zinc/87/11/88/1064871188.db2.gz NFZFGVBIQZNMJT-SJORKVTESA-N 1 3 309.498 2.201 20 0 DEADHO CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001568514826 1064928532 /nfs/dbraw/zinc/92/85/32/1064928532.db2.gz CIOPLQHYPPWCQS-NVXWUHKLSA-N 1 3 318.465 2.455 20 0 DEADHO CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001568514826 1064928544 /nfs/dbraw/zinc/92/85/44/1064928544.db2.gz CIOPLQHYPPWCQS-NVXWUHKLSA-N 1 3 318.465 2.455 20 0 DEADHO CCC1([NH2+]CCC2CC2)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001368594926 1148515166 /nfs/dbraw/zinc/51/51/66/1148515166.db2.gz QMDDWIIZBKSUPG-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1cccc([C@H](C)[NH2+]C/C=C/CNC(=O)CN2CCCC2)c1 ZINC001568963557 1065216025 /nfs/dbraw/zinc/21/60/25/1065216025.db2.gz CZQOJKIZCYYPDA-IDOMTICXSA-N 1 3 315.461 2.414 20 0 DEADHO C[C@@H](C[NH2+]Cc1ccsc1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001496084357 1065268572 /nfs/dbraw/zinc/26/85/72/1065268572.db2.gz ZELPJLVNAWNXAT-ZDUSSCGKSA-N 1 3 309.479 2.169 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@H](C)N(C)C(=O)CN(C)CC(C)(C)C ZINC001496153647 1065311153 /nfs/dbraw/zinc/31/11/53/1065311153.db2.gz JCLTWGNRFHBCKS-UONOGXRCSA-N 1 3 303.466 2.149 20 0 DEADHO CN(CC(=O)N1CCCC[C@H]1CC[NH2+]CC1CC1)C1CCC1 ZINC001496398529 1065446518 /nfs/dbraw/zinc/44/65/18/1065446518.db2.gz GYLXNSKPGKHWFS-KRWDZBQOSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1CCCN(C(=O)CN(C)C2CCC2)[C@@H]1C[NH2+]CCC1CC1 ZINC001496482649 1065500898 /nfs/dbraw/zinc/50/08/98/1065500898.db2.gz JIXIFVXJSIYNEX-MAUKXSAKSA-N 1 3 321.509 2.488 20 0 DEADHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H](CNCCF)C1CCCC1 ZINC001569604056 1065617873 /nfs/dbraw/zinc/61/78/73/1065617873.db2.gz LGMQKITUZZBWRY-HOTGVXAUSA-N 1 3 313.461 2.095 20 0 DEADHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H](CNCCF)C1CCCC1 ZINC001569604056 1065617878 /nfs/dbraw/zinc/61/78/78/1065617878.db2.gz LGMQKITUZZBWRY-HOTGVXAUSA-N 1 3 313.461 2.095 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C/C=C\Cl)C1 ZINC001496870173 1065767901 /nfs/dbraw/zinc/76/79/01/1065767901.db2.gz RIQNFEKLEGNFBU-DGPIVGRDSA-N 1 3 313.873 2.004 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C/C=C\Cl)C1 ZINC001496870173 1065767913 /nfs/dbraw/zinc/76/79/13/1065767913.db2.gz RIQNFEKLEGNFBU-DGPIVGRDSA-N 1 3 313.873 2.004 20 0 DEADHO CC(C)CC[NH2+]CC[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001569984790 1065861989 /nfs/dbraw/zinc/86/19/89/1065861989.db2.gz XIJBUNXFANNZBY-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)CC[NH2+]CC[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001570004485 1065873768 /nfs/dbraw/zinc/87/37/68/1065873768.db2.gz JNRHUIQOPIVPPT-IRXDYDNUSA-N 1 3 309.498 2.203 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCCF ZINC001570522178 1066104177 /nfs/dbraw/zinc/10/41/77/1066104177.db2.gz RNTXKTINJVFUMH-SJLPKXTDSA-N 1 3 321.440 2.060 20 0 DEADHO CCN(CC[NH2+]CC1CC(C)C1)C(=O)[C@H]1CCCCN1CC ZINC001497501049 1066116267 /nfs/dbraw/zinc/11/62/67/1066116267.db2.gz MMOAZUVHLOEORZ-OFLPRAFFSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)(N)C[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001575354311 1066274390 /nfs/dbraw/zinc/27/43/90/1066274390.db2.gz MLMUSAZWXUWTRP-MJBXVCDLSA-N 1 3 311.470 2.349 20 0 DEADHO CC(C)(N)C[N@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001575354311 1066274395 /nfs/dbraw/zinc/27/43/95/1066274395.db2.gz MLMUSAZWXUWTRP-MJBXVCDLSA-N 1 3 311.470 2.349 20 0 DEADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1C[C@H](O)CC[C@H](O)c1ccccc1 ZINC001576117141 1066497415 /nfs/dbraw/zinc/49/74/15/1066497415.db2.gz IBDGDZTYKHAUEP-RANZSIQMSA-N 1 3 306.450 2.063 20 0 DEADHO C[C@H](N)[C@@H]1CCCC[N@H+]1C[C@H](O)CC[C@H](O)c1ccccc1 ZINC001576117141 1066497419 /nfs/dbraw/zinc/49/74/19/1066497419.db2.gz IBDGDZTYKHAUEP-RANZSIQMSA-N 1 3 306.450 2.063 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCc2ccccc21 ZINC001498197815 1066553015 /nfs/dbraw/zinc/55/30/15/1066553015.db2.gz WMZQTSKZOQJOOQ-WMLDXEAASA-N 1 3 303.450 2.108 20 0 DEADHO CC1(C)CN(CC2(O)C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccncc1 ZINC001576457746 1066613270 /nfs/dbraw/zinc/61/32/70/1066613270.db2.gz LAYVERKXRDQQFT-INYHJIAOSA-N 1 3 301.434 2.110 20 0 DEADHO CC(C)C[NH+]1CCC(C(=O)N[C@@H](C)C2=CCN(C)CC2)CC1 ZINC001632701475 1078388930 /nfs/dbraw/zinc/38/89/30/1078388930.db2.gz MTJUYIANOLPUPT-HNNXBMFYSA-N 1 3 307.482 2.121 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CCCF)CCC1 ZINC001498487497 1066739857 /nfs/dbraw/zinc/73/98/57/1066739857.db2.gz RAMNWTHWUHXZOI-HUUCEWRRSA-N 1 3 313.461 2.095 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]C/C=C/Cl ZINC001498504604 1066750372 /nfs/dbraw/zinc/75/03/72/1066750372.db2.gz OJTQMCSCOAUIHS-VOTDVEDPSA-N 1 3 315.889 2.344 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC001498505509 1066750794 /nfs/dbraw/zinc/75/07/94/1066750794.db2.gz SAEILCZLUNFZHF-IRXDYDNUSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)CCC[NH2+]CCc2cccs2)C1 ZINC001498613341 1066802996 /nfs/dbraw/zinc/80/29/96/1066802996.db2.gz QHWOAIOZFRSPAE-HNNXBMFYSA-N 1 3 323.506 2.071 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CCc1ccccc1)CCN(C)C ZINC001577303660 1066810271 /nfs/dbraw/zinc/81/02/71/1066810271.db2.gz FDVIJCAIYQALTL-ROUUACIJSA-N 1 3 317.477 2.007 20 0 DEADHO CCC[C@H]1CN(C[C@H]([NH3+])CCOC)CCN1Cc1ccccc1 ZINC001577381214 1066828398 /nfs/dbraw/zinc/82/83/98/1066828398.db2.gz QUJRNOVTNBKMEJ-MOPGFXCFSA-N 1 3 319.493 2.337 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN[C@@H](C(C)C)C1 ZINC001577457921 1066847650 /nfs/dbraw/zinc/84/76/50/1066847650.db2.gz JWYFJCMTWFFGRB-IAGOWNOFSA-N 1 3 324.513 2.280 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN[C@@H](C(C)C)C1 ZINC001577457921 1066847657 /nfs/dbraw/zinc/84/76/57/1066847657.db2.gz JWYFJCMTWFFGRB-IAGOWNOFSA-N 1 3 324.513 2.280 20 0 DEADHO CC[NH+](CC)Cc1ccc(C(=O)N2CCN[C@H](C)[C@H]2C)cc1 ZINC001577693232 1066906866 /nfs/dbraw/zinc/90/68/66/1066906866.db2.gz PHWTZNBSNRIRAN-HUUCEWRRSA-N 1 3 303.450 2.351 20 0 DEADHO CC[N@@H+]1CCCN(C(=O)C[C@H]2NCc3ccccc32)[C@@H](C)C1 ZINC001577773326 1066925099 /nfs/dbraw/zinc/92/50/99/1066925099.db2.gz BOXKYVFPDLMMKB-WMLDXEAASA-N 1 3 301.434 2.164 20 0 DEADHO CC[N@H+]1CCCN(C(=O)C[C@H]2NCc3ccccc32)[C@@H](C)C1 ZINC001577773326 1066925108 /nfs/dbraw/zinc/92/51/08/1066925108.db2.gz BOXKYVFPDLMMKB-WMLDXEAASA-N 1 3 301.434 2.164 20 0 DEADHO CCOC(=O)[C@]1(Cc2ccccc2)CCCN1CCC1C[NH2+]C1 ZINC001577928463 1066954227 /nfs/dbraw/zinc/95/42/27/1066954227.db2.gz QQDGFIMGZMMPIY-LJQANCHMSA-N 1 3 316.445 2.236 20 0 DEADHO C[NH+](C)CCCC(=O)NC[C@H]1CCN1CCC1CCCCC1 ZINC001499048682 1067053345 /nfs/dbraw/zinc/05/33/45/1067053345.db2.gz QOIXGLCPORRWRZ-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CN(C(=O)[C@H]1CCCCC12CC[NH2+]CC2)[C@H]1CCCN(C)C1 ZINC001578528448 1067125305 /nfs/dbraw/zinc/12/53/05/1067125305.db2.gz GLNOKUWUDUKKTC-JKSUJKDBSA-N 1 3 307.482 2.099 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001266989992 1078484495 /nfs/dbraw/zinc/48/44/95/1078484495.db2.gz LEJCZMXWHMBFFL-CYBMUJFWSA-N 1 3 304.438 2.245 20 0 DEADHO CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001499526535 1067246172 /nfs/dbraw/zinc/24/61/72/1067246172.db2.gz VRJZOFHNMRSZPG-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001499526535 1067246175 /nfs/dbraw/zinc/24/61/75/1067246175.db2.gz VRJZOFHNMRSZPG-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO COc1ccc(-c2nc(CNC[C@@H]3[C@H]4C[NH2+]C[C@H]43)cs2)cc1 ZINC001579179101 1067250510 /nfs/dbraw/zinc/25/05/10/1067250510.db2.gz BAHYTZPIWGBZFL-PHZGNYQRSA-N 1 3 315.442 2.374 20 0 DEADHO N[C@@H]1CCCCC[N@H+](C[C@H](O)CC[C@@H](O)c2ccccc2)C1 ZINC001580184665 1067520363 /nfs/dbraw/zinc/52/03/63/1067520363.db2.gz YKMWFMHOAXEILH-KZNAEPCWSA-N 1 3 306.450 2.064 20 0 DEADHO N[C@@H]1CCCCC[N@@H+](C[C@H](O)CC[C@@H](O)c2ccccc2)C1 ZINC001580184665 1067520368 /nfs/dbraw/zinc/52/03/68/1067520368.db2.gz YKMWFMHOAXEILH-KZNAEPCWSA-N 1 3 306.450 2.064 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC2=CCCCC2)[C@H]1C ZINC001571466193 1068316985 /nfs/dbraw/zinc/31/69/85/1068316985.db2.gz QWLIQQZXOXDYTL-NVXWUHKLSA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)CC[N@H+]1CC=C(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001571689089 1068482187 /nfs/dbraw/zinc/48/21/87/1068482187.db2.gz KFPJHRGGEMPHIL-UHFFFAOYSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)CC[N@@H+]1CC=C(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001571689089 1068482191 /nfs/dbraw/zinc/48/21/91/1068482191.db2.gz KFPJHRGGEMPHIL-UHFFFAOYSA-N 1 3 307.482 2.265 20 0 DEADHO CC[C@H](C)C[N@H+]1CC=C(CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001571699005 1068488813 /nfs/dbraw/zinc/48/88/13/1068488813.db2.gz ABRMWIWERJFJSG-ZDUSSCGKSA-N 1 3 304.438 2.055 20 0 DEADHO CC[C@H](C)C[N@@H+]1CC=C(CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001571699005 1068488814 /nfs/dbraw/zinc/48/88/14/1068488814.db2.gz ABRMWIWERJFJSG-ZDUSSCGKSA-N 1 3 304.438 2.055 20 0 DEADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCN2CCCC(C)(C)C)C1 ZINC001483693664 1078814046 /nfs/dbraw/zinc/81/40/46/1078814046.db2.gz GBZVBCYTGVBCLV-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CCN2CCCC(C)(C)C)C1 ZINC001483693664 1078814054 /nfs/dbraw/zinc/81/40/54/1078814054.db2.gz GBZVBCYTGVBCLV-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)(C)[C@H](N)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001573458539 1069004285 /nfs/dbraw/zinc/00/42/85/1069004285.db2.gz XMBASBLGAGXCQO-IXDOHACOSA-N 1 3 315.461 2.093 20 0 DEADHO CC(C)(C)[C@H](N)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001573458539 1069004304 /nfs/dbraw/zinc/00/43/04/1069004304.db2.gz XMBASBLGAGXCQO-IXDOHACOSA-N 1 3 315.461 2.093 20 0 DEADHO CC(C)N(C(=O)[C@H]1CC[NH2+]C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001573519460 1069027511 /nfs/dbraw/zinc/02/75/11/1069027511.db2.gz MVGDHAWXYLDYLX-ZWKOTPCHSA-N 1 3 315.461 2.107 20 0 DEADHO CC(C)N(C(=O)[C@@H]1CC[NH2+]C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001573519458 1069028428 /nfs/dbraw/zinc/02/84/28/1069028428.db2.gz MVGDHAWXYLDYLX-QZTJIDSGSA-N 1 3 315.461 2.107 20 0 DEADHO CN(C[C@]1(O)CCC[NH2+]C1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001573870084 1069124154 /nfs/dbraw/zinc/12/41/54/1069124154.db2.gz LIFHLJYMSLCZGH-KSZLIROESA-N 1 3 322.424 2.092 20 0 DEADHO CC[NH+](CC)CC[C@@H](C)NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC001521451765 1069242753 /nfs/dbraw/zinc/24/27/53/1069242753.db2.gz AIEQGUOJWRXWML-HUUCEWRRSA-N 1 3 310.486 2.056 20 0 DEADHO CC(C)[N@@H+](C/C=C\Cl)CCCNC(=O)[C@@H]1CCCN1C ZINC001267499463 1078927277 /nfs/dbraw/zinc/92/72/77/1078927277.db2.gz WXOMOGLRRURBLU-PODYEWJSSA-N 1 3 301.862 2.050 20 0 DEADHO CC(C)[N@H+](C/C=C\Cl)CCCNC(=O)[C@@H]1CCCN1C ZINC001267499463 1078927284 /nfs/dbraw/zinc/92/72/84/1078927284.db2.gz WXOMOGLRRURBLU-PODYEWJSSA-N 1 3 301.862 2.050 20 0 DEADHO CC(C)N(CCF)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001267510574 1078939857 /nfs/dbraw/zinc/93/98/57/1078939857.db2.gz VGWKMEQYPXPGOB-HOTGVXAUSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)N(CCF)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001267510574 1078939862 /nfs/dbraw/zinc/93/98/62/1078939862.db2.gz VGWKMEQYPXPGOB-HOTGVXAUSA-N 1 3 313.461 2.190 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2C[C@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC001549523897 1073186645 /nfs/dbraw/zinc/18/66/45/1073186645.db2.gz SRRXWCADVHVSJP-QAPCUYQASA-N 1 3 316.449 2.341 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC2CC([NH+]3CCCC3)C2)c1 ZINC001549932025 1073339548 /nfs/dbraw/zinc/33/95/48/1073339548.db2.gz IDPCIPJPSIXXEM-UHFFFAOYSA-N 1 3 301.434 2.105 20 0 DEADHO CC(C)CC[NH2+]CCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001649440202 1079119810 /nfs/dbraw/zinc/11/98/10/1079119810.db2.gz MFUYMENBWPJIBE-KRWDZBQOSA-N 1 3 315.477 2.293 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)CC[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001649439902 1079119855 /nfs/dbraw/zinc/11/98/55/1079119855.db2.gz JFLALVBUKFSWNJ-MRXNPFEDSA-N 1 3 321.509 2.347 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001483786787 1079120506 /nfs/dbraw/zinc/12/05/06/1079120506.db2.gz FAHCTIXAJZJFFA-AWEZNQCLSA-N 1 3 321.440 2.467 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2cc(C)sc2C)CC1 ZINC001483787341 1079121034 /nfs/dbraw/zinc/12/10/34/1079121034.db2.gz SARRFQVBLHQCQL-UHFFFAOYSA-N 1 3 323.506 2.445 20 0 DEADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cnc(C)s3)C2)[C@@H]1C(C)C ZINC001550423990 1073649674 /nfs/dbraw/zinc/64/96/74/1073649674.db2.gz WIHXZFVAFUXEOJ-QAETUUGQSA-N 1 3 323.506 2.411 20 0 DEADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cnc(C)s3)C2)[C@@H]1C(C)C ZINC001550423990 1073649678 /nfs/dbraw/zinc/64/96/78/1073649678.db2.gz WIHXZFVAFUXEOJ-QAETUUGQSA-N 1 3 323.506 2.411 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC001550833792 1073902772 /nfs/dbraw/zinc/90/27/72/1073902772.db2.gz FKUNSHONJLNUCO-BRWVUGGUSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC001550833792 1073902776 /nfs/dbraw/zinc/90/27/76/1073902776.db2.gz FKUNSHONJLNUCO-BRWVUGGUSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001550833792 1073902779 /nfs/dbraw/zinc/90/27/79/1073902779.db2.gz FKUNSHONJLNUCO-BRWVUGGUSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001550833792 1073902782 /nfs/dbraw/zinc/90/27/82/1073902782.db2.gz FKUNSHONJLNUCO-BRWVUGGUSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1C[C@H](NC/C(Cl)=C\Cl)CCN1C(=O)CC[NH+](C)C ZINC001483909266 1079190557 /nfs/dbraw/zinc/19/05/57/1079190557.db2.gz RBQGXRGOZABYLD-YBUYXDSISA-N 1 3 322.280 2.226 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]C2CCC(C)(N3CCOCC3)CC2)CN1C1CC1 ZINC001551393510 1074202931 /nfs/dbraw/zinc/20/29/31/1074202931.db2.gz ZLEIRDAALAQOBP-SDDULXJBSA-N 1 3 321.509 2.235 20 0 DEADHO C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001551403188 1074206797 /nfs/dbraw/zinc/20/67/97/1074206797.db2.gz XEMRXOCQEBWAGN-SEDQCKISSA-N 1 3 310.482 2.281 20 0 DEADHO CS[C@H]1CC[C@@H]1[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001649845657 1079259820 /nfs/dbraw/zinc/25/98/20/1079259820.db2.gz YLMAXIQQWKJULY-ROUUACIJSA-N 1 3 319.518 2.418 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)[C@H]2C[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001552150889 1074476139 /nfs/dbraw/zinc/47/61/39/1074476139.db2.gz BATOYLASVBSKCB-SJORKVTESA-N 1 3 321.509 2.203 20 0 DEADHO CN(C(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1)[C@@H]1CCN(C)C1 ZINC001552304089 1074533225 /nfs/dbraw/zinc/53/32/25/1074533225.db2.gz SNIOABYHBDBHNX-QZTJIDSGSA-N 1 3 315.461 2.272 20 0 DEADHO CN(C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)[C@@H]1CCN(C)C1 ZINC001552304089 1074533230 /nfs/dbraw/zinc/53/32/30/1074533230.db2.gz SNIOABYHBDBHNX-QZTJIDSGSA-N 1 3 315.461 2.272 20 0 DEADHO CCN(CC)[C@H](CNC(=O)C1([NH2+]C)CCC1)c1ccsc1 ZINC001646736894 1074586611 /nfs/dbraw/zinc/58/66/11/1074586611.db2.gz LTTBJMNIMOCCEK-CQSZACIVSA-N 1 3 309.479 2.389 20 0 DEADHO [NH3+]Cc1ccccc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC001646736606 1074586770 /nfs/dbraw/zinc/58/67/70/1074586770.db2.gz JGPKKKVINIICES-KRWDZBQOSA-N 1 3 309.413 2.150 20 0 DEADHO CN(C)[C@@H]1CCC[N@H+](C[C@@H]2CCCO[C@@H]2c2ccnn2C)CC1 ZINC001552533081 1074602739 /nfs/dbraw/zinc/60/27/39/1074602739.db2.gz RSTBXSORCICJFX-JZXOWHBKSA-N 1 3 320.481 2.304 20 0 DEADHO CN(C)[C@@H]1CCC[N@@H+](C[C@@H]2CCCO[C@@H]2c2ccnn2C)CC1 ZINC001552533081 1074602741 /nfs/dbraw/zinc/60/27/41/1074602741.db2.gz RSTBXSORCICJFX-JZXOWHBKSA-N 1 3 320.481 2.304 20 0 DEADHO O=C(Nc1ccc2c(c1)OCCNC2)[C@]12CC[NH2+][C@H]1CCCC2 ZINC001646775877 1074613272 /nfs/dbraw/zinc/61/32/72/1074613272.db2.gz OOFGLAQQWZWWKH-FUHWJXTLSA-N 1 3 315.417 2.029 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)C[C@@H]([NH3+])C(C)(C)C)C2)cc1 ZINC001646777358 1074614314 /nfs/dbraw/zinc/61/43/14/1074614314.db2.gz KUXYRQFPNBIUMX-IAGOWNOFSA-N 1 3 317.477 2.449 20 0 DEADHO CCC[C@H]1CCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001646945468 1074717028 /nfs/dbraw/zinc/71/70/28/1074717028.db2.gz XHGJXXNCFGEYGV-HOTGVXAUSA-N 1 3 312.502 2.233 20 0 DEADHO CCC[C@H]1CCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001646945468 1074717031 /nfs/dbraw/zinc/71/70/31/1074717031.db2.gz XHGJXXNCFGEYGV-HOTGVXAUSA-N 1 3 312.502 2.233 20 0 DEADHO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)N1CCN(C2CCCC2)CC1 ZINC001647085860 1074786316 /nfs/dbraw/zinc/78/63/16/1074786316.db2.gz OMVRKCXKSAWREQ-IAGOWNOFSA-N 1 3 322.497 2.129 20 0 DEADHO COc1ccc(C[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(C)C)cc1 ZINC001647276047 1074866361 /nfs/dbraw/zinc/86/63/61/1074866361.db2.gz QMUWLYXCXHQSRM-WBVHZDCISA-N 1 3 308.466 2.259 20 0 DEADHO COc1ccc(C[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(C)C)cc1 ZINC001647276047 1074866364 /nfs/dbraw/zinc/86/63/64/1074866364.db2.gz QMUWLYXCXHQSRM-WBVHZDCISA-N 1 3 308.466 2.259 20 0 DEADHO CC[NH+](CC)C1CCN(C(=O)c2cc3c(s2)CCNC3)CC1 ZINC001647276637 1074866900 /nfs/dbraw/zinc/86/69/00/1074866900.db2.gz CWTXCGSCGKQGDC-UHFFFAOYSA-N 1 3 321.490 2.340 20 0 DEADHO CC[C@H](F)CNCCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001567570758 1075069930 /nfs/dbraw/zinc/06/99/30/1075069930.db2.gz GOWXAZLVIFTNKM-LSDHHAIUSA-N 1 3 301.450 2.045 20 0 DEADHO CC[C@H](F)CNCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001567570758 1075069928 /nfs/dbraw/zinc/06/99/28/1075069928.db2.gz GOWXAZLVIFTNKM-LSDHHAIUSA-N 1 3 301.450 2.045 20 0 DEADHO CCCCCCN1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001565831247 1075192685 /nfs/dbraw/zinc/19/26/85/1075192685.db2.gz CUXUPCWOZMKCCL-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO CN(C(=O)Cc1c[nH]cn1)C1CC[NH+](CCCCCF)CC1 ZINC001566613159 1075297272 /nfs/dbraw/zinc/29/72/72/1075297272.db2.gz QCJRAADAPLDTCK-UHFFFAOYSA-N 1 3 310.417 2.015 20 0 DEADHO C[NH+](C)CC1(C(=O)N[C@H]2CCN(CC3=CCCCC3)C2)CC1 ZINC001566671966 1075311856 /nfs/dbraw/zinc/31/18/56/1075311856.db2.gz LNSBFBUEPQUWBA-INIZCTEOSA-N 1 3 305.466 2.019 20 0 DEADHO CCCCC[NH+]1CCC2(C[C@H]2NC(=O)Cc2nc[nH]c2C)CC1 ZINC001566694629 1075319336 /nfs/dbraw/zinc/31/93/36/1075319336.db2.gz KXPNDRFWCMPGQA-MRXNPFEDSA-N 1 3 318.465 2.422 20 0 DEADHO CCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C1 ZINC001267735303 1079427173 /nfs/dbraw/zinc/42/71/73/1079427173.db2.gz RYYFBKQIJPONRG-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C1 ZINC001267735303 1079427177 /nfs/dbraw/zinc/42/71/77/1079427177.db2.gz RYYFBKQIJPONRG-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@@H]2CCCCN(C)C2)c1 ZINC001650161544 1079428798 /nfs/dbraw/zinc/42/87/98/1079428798.db2.gz VOCMIJRVWUIGRV-ROUUACIJSA-N 1 3 320.477 2.365 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC001580523271 1075943090 /nfs/dbraw/zinc/94/30/90/1075943090.db2.gz RFTSRFXZCJEWDB-AEFFLSMTSA-N 1 3 313.445 2.354 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC001580523271 1075943094 /nfs/dbraw/zinc/94/30/94/1075943094.db2.gz RFTSRFXZCJEWDB-AEFFLSMTSA-N 1 3 313.445 2.354 20 0 DEADHO O=C(NCCC[NH2+]C1CCCCC1)c1cccc2c1CNC2 ZINC001580683827 1075976260 /nfs/dbraw/zinc/97/62/60/1075976260.db2.gz IXDCZSDNPBJCJJ-UHFFFAOYSA-N 1 3 301.434 2.332 20 0 DEADHO O=C1O[C@@H](CNC(c2ccccc2)c2ccccc2)CC12C[NH2+]C2 ZINC001580859325 1076009187 /nfs/dbraw/zinc/00/91/87/1076009187.db2.gz ZYLYMOGHBYZAMD-QGZVFWFLSA-N 1 3 322.408 2.271 20 0 DEADHO c1c(CNCC[C@H]2OCCc3ccccc32)onc1C1C[NH2+]C1 ZINC001580895975 1076017378 /nfs/dbraw/zinc/01/73/78/1076017378.db2.gz VYMGDELCUOOGMS-GOSISDBHSA-N 1 3 313.401 2.155 20 0 DEADHO C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001589957083 1076536485 /nfs/dbraw/zinc/53/64/85/1076536485.db2.gz RGCYRRULXYHAHT-XIKARTHZSA-N 1 3 300.410 2.035 20 0 DEADHO C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001589957083 1076536490 /nfs/dbraw/zinc/53/64/90/1076536490.db2.gz RGCYRRULXYHAHT-XIKARTHZSA-N 1 3 300.410 2.035 20 0 DEADHO Cc1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)ccc1-c1nnn[n-]1 ZINC001591968376 1076819550 /nfs/dbraw/zinc/81/95/50/1076819550.db2.gz CNLHCGZOFGZLHY-UHFFFAOYSA-N 1 3 314.437 2.139 20 0 DEADHO Cc1cc(C[NH2+]CCCC[N@H+](C)C2CC2)ccc1-c1nnn[n-]1 ZINC001591968376 1076819552 /nfs/dbraw/zinc/81/95/52/1076819552.db2.gz CNLHCGZOFGZLHY-UHFFFAOYSA-N 1 3 314.437 2.139 20 0 DEADHO Cc1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)ccc1-c1nn[n-]n1 ZINC001591968376 1076819555 /nfs/dbraw/zinc/81/95/55/1076819555.db2.gz CNLHCGZOFGZLHY-UHFFFAOYSA-N 1 3 314.437 2.139 20 0 DEADHO Cc1cc(C[NH2+]CCCC[N@H+](C)C2CC2)ccc1-c1nn[n-]n1 ZINC001591968376 1076819558 /nfs/dbraw/zinc/81/95/58/1076819558.db2.gz CNLHCGZOFGZLHY-UHFFFAOYSA-N 1 3 314.437 2.139 20 0 DEADHO CC[C@@H](C)C[C@@H](N)C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC001650354511 1079554493 /nfs/dbraw/zinc/55/44/93/1079554493.db2.gz QZNUXJPXVPGTKQ-ZYHUDNBSSA-N 1 3 310.467 2.312 20 0 DEADHO CN(CC(=O)N1CC[C@@H](CC[NH2+]CC2CC2)C1)CC(C)(C)C ZINC001484538280 1079650597 /nfs/dbraw/zinc/65/05/97/1079650597.db2.gz WPNNXOFBEVWSSZ-MRXNPFEDSA-N 1 3 309.498 2.203 20 0 DEADHO CC1CCN(CC(=O)N(C)CC[NH2+]Cc2ccc(F)cc2)CC1 ZINC001481295464 1079676070 /nfs/dbraw/zinc/67/60/70/1079676070.db2.gz WDQMLQDJHMEPNC-UHFFFAOYSA-N 1 3 321.440 2.106 20 0 DEADHO CCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001481451276 1079875380 /nfs/dbraw/zinc/87/53/80/1079875380.db2.gz PWKXTJPZSIPZER-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001481451276 1079875383 /nfs/dbraw/zinc/87/53/83/1079875383.db2.gz PWKXTJPZSIPZER-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO COCCN(C)CCC[NH2+][C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001655273859 1079992851 /nfs/dbraw/zinc/99/28/51/1079992851.db2.gz JYWANQKMCKYUBX-IEBWSBKVSA-N 1 3 319.493 2.380 20 0 DEADHO CC(C)C[C@H](C[NH2+]C/C=C\Cl)NC(=O)CN1CC[C@H](C)C1 ZINC001268110746 1080080541 /nfs/dbraw/zinc/08/05/41/1080080541.db2.gz IDFCKYSAKHSPIJ-HMPZPJAKSA-N 1 3 315.889 2.201 20 0 DEADHO CCCCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001268193797 1080180776 /nfs/dbraw/zinc/18/07/76/1080180776.db2.gz XGRQEBNXYUTING-GOEBONIOSA-N 1 3 306.454 2.359 20 0 DEADHO CCCN(C)CC(=O)NC1(C[NH2+]C/C=C\Cl)CCCCC1 ZINC001485456325 1080217649 /nfs/dbraw/zinc/21/76/49/1080217649.db2.gz PFHSJNNOJDFONZ-YFHOEESVSA-N 1 3 315.889 2.489 20 0 DEADHO CN(CC(=O)N(C)[C@H](C[NH2+]CC1CCC1)C1CC1)C1CCC1 ZINC001485815067 1080490944 /nfs/dbraw/zinc/49/09/44/1080490944.db2.gz WSJHLUJNBMYKMT-QGZVFWFLSA-N 1 3 307.482 2.097 20 0 DEADHO CCN(C(=O)CN1CC[C@@H](C)C1)[C@H]1CC[N@H+](CC=C(C)C)C1 ZINC001481774525 1080491540 /nfs/dbraw/zinc/49/15/40/1080491540.db2.gz LIXNJMMNFQPQNQ-SJORKVTESA-N 1 3 307.482 2.217 20 0 DEADHO CCN(C(=O)CN1CC[C@@H](C)C1)[C@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001481774525 1080491544 /nfs/dbraw/zinc/49/15/44/1080491544.db2.gz LIXNJMMNFQPQNQ-SJORKVTESA-N 1 3 307.482 2.217 20 0 DEADHO CC(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001661947555 1080549003 /nfs/dbraw/zinc/54/90/03/1080549003.db2.gz VOCZGOBXACCWQW-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1C ZINC001107036216 1080551926 /nfs/dbraw/zinc/55/19/26/1080551926.db2.gz JBHVGJVXUXATAJ-ZACQAIPSSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H](CC[NH2+]CC3CCC3)C2)C1 ZINC001481983738 1080667981 /nfs/dbraw/zinc/66/79/81/1080667981.db2.gz KISNVIMYWGPEJK-SJLPKXTDSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@H]([NH2+]C/C=C\CNC(=O)[C@H]1CCCN1C)c1cccc(F)c1 ZINC001268575973 1080790998 /nfs/dbraw/zinc/79/09/98/1080790998.db2.gz RVTFFKXJTMBXJO-VGYGADJXSA-N 1 3 319.424 2.243 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC/C=C\C[NH2+]CC2=CCCCC2)C1 ZINC001268590644 1080835884 /nfs/dbraw/zinc/83/58/84/1080835884.db2.gz HZUGQDFNHGPTAR-OGZRUICASA-N 1 3 305.466 2.091 20 0 DEADHO Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCCN2C)cc1C ZINC001268811722 1081003791 /nfs/dbraw/zinc/00/37/91/1081003791.db2.gz READNPNEONJFFR-GOSISDBHSA-N 1 3 317.477 2.336 20 0 DEADHO CC(C)=CC[NH2+]C1(CNC(=O)CN(C)C2CCC2)CCCC1 ZINC001482221196 1081257849 /nfs/dbraw/zinc/25/78/49/1081257849.db2.gz BGYIRIKXDJHVGB-UHFFFAOYSA-N 1 3 307.482 2.456 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCCF)N1CCCC1 ZINC001667743835 1081283631 /nfs/dbraw/zinc/28/36/31/1081283631.db2.gz LZACUSFUGKLSRI-LSDHHAIUSA-N 1 3 313.461 2.095 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC1(C[NH2+]CCCF)CCCC1 ZINC001269545685 1081285642 /nfs/dbraw/zinc/28/56/42/1081285642.db2.gz YYIHACYSAJLQNQ-HNNXBMFYSA-N 1 3 313.461 2.237 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1csc(C)c1)N(C)C ZINC001668106944 1081316060 /nfs/dbraw/zinc/31/60/60/1081316060.db2.gz QPJBZCQYEWSAPP-SWLSCSKDSA-N 1 3 311.495 2.381 20 0 DEADHO CC(C)=CCN1CC2(C1)CCN(C(=O)CCC[NH+](C)C)CC2 ZINC001482242918 1081365976 /nfs/dbraw/zinc/36/59/76/1081365976.db2.gz HXBIDLXDWDBMOS-UHFFFAOYSA-N 1 3 307.482 2.219 20 0 DEADHO CC[C@H](C)C[NH2+]CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001269943275 1081405981 /nfs/dbraw/zinc/40/59/81/1081405981.db2.gz MGNKMIPIKJGDHY-INIZCTEOSA-N 1 3 309.498 2.347 20 0 DEADHO CCc1ccc(C[NH2+]C/C=C\CNC(=O)CN2CCCC2)cc1 ZINC001669188341 1081436584 /nfs/dbraw/zinc/43/65/84/1081436584.db2.gz DYJDWDVQHOJWPY-ARJAWSKDSA-N 1 3 315.461 2.107 20 0 DEADHO CC1CCN(CC(=O)N(C)CCC[NH2+]Cc2ccsc2)CC1 ZINC001670291317 1081508128 /nfs/dbraw/zinc/50/81/28/1081508128.db2.gz HDAMXHKINMFPCS-UHFFFAOYSA-N 1 3 323.506 2.418 20 0 DEADHO CCN(C(=O)C1CC[NH+](C)CC1)C1CN(CC2CCCCC2)C1 ZINC000951616619 1081544396 /nfs/dbraw/zinc/54/43/96/1081544396.db2.gz RYIPNRQPRHKJCJ-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CCC(CC)CN1CC(N(CC)C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000951750245 1081579333 /nfs/dbraw/zinc/57/93/33/1081579333.db2.gz VFTXIWFVOJNJPB-YOEHRIQHSA-N 1 3 309.498 2.153 20 0 DEADHO CCC(CC)CN1CC(N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000951750245 1081579337 /nfs/dbraw/zinc/57/93/37/1081579337.db2.gz VFTXIWFVOJNJPB-YOEHRIQHSA-N 1 3 309.498 2.153 20 0 DEADHO CCC/C=C/CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@H]2C1 ZINC001279410248 1082054939 /nfs/dbraw/zinc/05/49/39/1082054939.db2.gz UOVJCTUKVLYPNV-RBVZIQTCSA-N 1 3 321.509 2.463 20 0 DEADHO CCC/C=C/CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@H]2C1 ZINC001279410248 1082054944 /nfs/dbraw/zinc/05/49/44/1082054944.db2.gz UOVJCTUKVLYPNV-RBVZIQTCSA-N 1 3 321.509 2.463 20 0 DEADHO CCC/C=C\CCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001670646602 1082203656 /nfs/dbraw/zinc/20/36/56/1082203656.db2.gz XOTHBAATXFPREZ-BEGMFMCTSA-N 1 3 307.482 2.264 20 0 DEADHO CCC/C=C\CCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001670646602 1082203663 /nfs/dbraw/zinc/20/36/63/1082203663.db2.gz XOTHBAATXFPREZ-BEGMFMCTSA-N 1 3 307.482 2.264 20 0 DEADHO CCC[NH2+][C@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001482552200 1082204819 /nfs/dbraw/zinc/20/48/19/1082204819.db2.gz BRTJTQWAUHJNQY-PBHICJAKSA-N 1 3 315.477 2.339 20 0 DEADHO CC(C)[C@H](CNC(=O)CN(C)C(C)C)[NH2+]CCC(F)(F)F ZINC001482571446 1082251811 /nfs/dbraw/zinc/25/18/11/1082251811.db2.gz IFRSPBHEXYSXLW-LBPRGKRZSA-N 1 3 311.392 2.009 20 0 DEADHO [NH3+][C@H](C(=O)NC[C@H]1NCCc2ccccc21)C1CCCCCC1 ZINC001648984337 1082396341 /nfs/dbraw/zinc/39/63/41/1082396341.db2.gz BMAKVXMKLMSYGU-MSOLQXFVSA-N 1 3 315.461 2.287 20 0 DEADHO Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)Cc2nc[nH]c2C)cs1 ZINC001482890207 1082548324 /nfs/dbraw/zinc/54/83/24/1082548324.db2.gz LNUMNWGFKRDFMM-LLVKDONJSA-N 1 3 320.462 2.315 20 0 DEADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc2c(s1)CNCC2 ZINC001648992300 1082644816 /nfs/dbraw/zinc/64/48/16/1082644816.db2.gz XSMFSASUWIDNSO-LBPRGKRZSA-N 1 3 321.490 2.196 20 0 DEADHO C[C@@H]([NH2+]C/C=C/CNC(=O)[C@H]1CCCN1C)c1ccc(F)cc1 ZINC001483044298 1082647661 /nfs/dbraw/zinc/64/76/61/1082647661.db2.gz OMSCXIBLHBCHOJ-LMIZRQEKSA-N 1 3 319.424 2.243 20 0 DEADHO CC[C@H](C(=O)NC1CC(C[NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001409276012 1082736643 /nfs/dbraw/zinc/73/66/43/1082736643.db2.gz HXUGXHDGAYTPRD-BDVYOWHSSA-N 1 3 321.509 2.391 20 0 DEADHO CC(C)C[NH2+]CC1CC(NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001409277039 1082738087 /nfs/dbraw/zinc/73/80/87/1082738087.db2.gz OPEOVHCXFQSVFS-OFLPRAFFSA-N 1 3 309.498 2.390 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)NCc1ccccc1F ZINC001409433864 1082886859 /nfs/dbraw/zinc/88/68/59/1082886859.db2.gz XDRSLVXNEBKXKD-UONOGXRCSA-N 1 3 309.429 2.150 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H](C)NCc1ccccc1F ZINC001409433864 1082886862 /nfs/dbraw/zinc/88/68/62/1082886862.db2.gz XDRSLVXNEBKXKD-UONOGXRCSA-N 1 3 309.429 2.150 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438528 1083395904 /nfs/dbraw/zinc/39/59/04/1083395904.db2.gz DBWJYWMAVLYMOV-ZHALLVOQSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438528 1083395912 /nfs/dbraw/zinc/39/59/12/1083395912.db2.gz DBWJYWMAVLYMOV-ZHALLVOQSA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC1)CC2)N(C)C ZINC001107554015 1083477965 /nfs/dbraw/zinc/47/79/65/1083477965.db2.gz UZZFWBCJVQXTKW-LZLYRXPVSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC1)CC2)N(C)C ZINC001107554015 1083477970 /nfs/dbraw/zinc/47/79/70/1083477970.db2.gz UZZFWBCJVQXTKW-LZLYRXPVSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1scnc1CN1CCC[C@@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001276598991 1083507470 /nfs/dbraw/zinc/50/74/70/1083507470.db2.gz KQCMNERVDKVTGD-KRWDZBQOSA-N 1 3 322.522 2.301 20 0 DEADHO C[NH+](C)CCN1CCC[C@]2(CCCN(Cc3ccns3)C2)C1 ZINC001276591851 1083507996 /nfs/dbraw/zinc/50/79/96/1083507996.db2.gz RGLYRICHULUYCJ-KRWDZBQOSA-N 1 3 322.522 2.383 20 0 DEADHO C[NH+](C)CCCCC(=O)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001107613865 1083519241 /nfs/dbraw/zinc/51/92/41/1083519241.db2.gz CEWNKCCLPMJTRH-NVXWUHKLSA-N 1 3 313.461 2.049 20 0 DEADHO CC(C)=CCN1CC([C@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001276388665 1083925581 /nfs/dbraw/zinc/92/55/81/1083925581.db2.gz JTKVQFQINKBLMU-RDJZCZTQSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)=CCN1CC([C@H](C)NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001276388665 1083925590 /nfs/dbraw/zinc/92/55/90/1083925590.db2.gz JTKVQFQINKBLMU-RDJZCZTQSA-N 1 3 307.482 2.264 20 0 DEADHO FC(F)(F)CCC[N@@H+]1C[C@H]2C[C@@H](C1)N(CCn1ccnc1)C2 ZINC001277544238 1084028733 /nfs/dbraw/zinc/02/87/33/1084028733.db2.gz BSIIYJJNACBYPT-KGLIPLIRSA-N 1 3 316.371 2.232 20 0 DEADHO FC(F)(F)CCC[N@H+]1C[C@H]2C[C@@H](C1)N(CCn1ccnc1)C2 ZINC001277544238 1084028742 /nfs/dbraw/zinc/02/87/42/1084028742.db2.gz BSIIYJJNACBYPT-KGLIPLIRSA-N 1 3 316.371 2.232 20 0 DEADHO CC(C)OCCN[C@@]12CC[C@@]([NH2+]CCn3ccnc3)(C1)CCC2 ZINC001277656574 1084079387 /nfs/dbraw/zinc/07/93/87/1084079387.db2.gz GIEDTAAJFSLCHV-MSOLQXFVSA-N 1 3 320.481 2.333 20 0 DEADHO C[C@H](F)CC[N@@H+]1CCC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001491109316 1084083775 /nfs/dbraw/zinc/08/37/75/1084083775.db2.gz HCGWJTVJOIWFGY-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H](F)CC[N@H+]1CCC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001491109316 1084083784 /nfs/dbraw/zinc/08/37/84/1084083784.db2.gz HCGWJTVJOIWFGY-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO C[NH+]1CCC(CCN2CC[C@@H]3C[C@@]32C(=O)NC(C)(C)C)CC1 ZINC001277838529 1084168646 /nfs/dbraw/zinc/16/86/46/1084168646.db2.gz LCOMLNYODPZVJM-QAPCUYQASA-N 1 3 307.482 2.097 20 0 DEADHO Nc1ccc(CN2CCC3(CC2)C[NH2+]Cc2ccccc23)cn1 ZINC001235095103 1084310180 /nfs/dbraw/zinc/31/01/80/1084310180.db2.gz TXPVCBSXVLJGOS-UHFFFAOYSA-N 1 3 308.429 2.301 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCCc1ccsc1 ZINC001491477591 1084338845 /nfs/dbraw/zinc/33/88/45/1084338845.db2.gz KBBWIDIOOZUPSY-AWEZNQCLSA-N 1 3 323.506 2.259 20 0 DEADHO FC1(F)Oc2ccc(CN3CCC(C4C[NH2+]C4)CC3)cc2O1 ZINC001235334448 1084394046 /nfs/dbraw/zinc/39/40/46/1084394046.db2.gz FSEZUICYNGELJI-UHFFFAOYSA-N 1 3 310.344 2.440 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CCN1Cc1ccc2n1CC[NH2+]C2 ZINC001235715240 1084510147 /nfs/dbraw/zinc/51/01/47/1084510147.db2.gz ODIIHJCQZDBUSB-KRWDZBQOSA-N 1 3 324.472 2.298 20 0 DEADHO CCc1cc(CN2CCC[C@@H](N3CC([NH3+])C3)C2)cc(CC)c1O ZINC001236077469 1084605928 /nfs/dbraw/zinc/60/59/28/1084605928.db2.gz HYBYCMNETMXJEN-GOSISDBHSA-N 1 3 317.477 2.124 20 0 DEADHO C[C@H]1CNCC(F)(F)[C@@H]1C[N@@H+]1CCNC[C@@H]1c1ccccc1 ZINC001236146870 1084621723 /nfs/dbraw/zinc/62/17/23/1084621723.db2.gz ANPCNWJXZCLRSH-NUEKZKHPSA-N 1 3 309.404 2.124 20 0 DEADHO C[C@H]1CNCC(F)(F)[C@@H]1C[N@H+]1CCNC[C@@H]1c1ccccc1 ZINC001236146870 1084621725 /nfs/dbraw/zinc/62/17/25/1084621725.db2.gz ANPCNWJXZCLRSH-NUEKZKHPSA-N 1 3 309.404 2.124 20 0 DEADHO Fc1cccc(F)c1CN1CCN(CCC2CC[NH2+]CC2)CC1 ZINC001236145563 1084621745 /nfs/dbraw/zinc/62/17/45/1084621745.db2.gz XZRKOSYPWNPGSA-UHFFFAOYSA-N 1 3 323.431 2.472 20 0 DEADHO Cc1ccc(C[N@H+]2CC[C@]3(CCN(CCN(C)C)C3=O)C2)s1 ZINC001272933489 1084860206 /nfs/dbraw/zinc/86/02/06/1084860206.db2.gz BDSZBHWXAWQFHN-KRWDZBQOSA-N 1 3 321.490 2.043 20 0 DEADHO Cc1ccc(C[N@@H+]2CC[C@]3(CCN(CCN(C)C)C3=O)C2)s1 ZINC001272933489 1084860211 /nfs/dbraw/zinc/86/02/11/1084860211.db2.gz BDSZBHWXAWQFHN-KRWDZBQOSA-N 1 3 321.490 2.043 20 0 DEADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)NCCF ZINC001485875592 1084958775 /nfs/dbraw/zinc/95/87/75/1084958775.db2.gz QVUNMOBVFZNNQV-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)NCCF ZINC001485875592 1084958780 /nfs/dbraw/zinc/95/87/80/1084958780.db2.gz QVUNMOBVFZNNQV-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)NCCF ZINC001485875594 1084958937 /nfs/dbraw/zinc/95/89/37/1084958937.db2.gz QVUNMOBVFZNNQV-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)NCCF ZINC001485875594 1084958940 /nfs/dbraw/zinc/95/89/40/1084958940.db2.gz QVUNMOBVFZNNQV-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001485884731 1084961902 /nfs/dbraw/zinc/96/19/02/1084961902.db2.gz GCQQIQJNZOJJCW-JSGCOSHPSA-N 1 3 319.440 2.054 20 0 DEADHO C[C@H]1[C@H](NC(=O)CCC[NH+](C)C)CCCN1Cc1ccccc1 ZINC001486182154 1085110275 /nfs/dbraw/zinc/11/02/75/1085110275.db2.gz XMAGXDCSFSUXGN-FUHWJXTLSA-N 1 3 317.477 2.498 20 0 DEADHO CC[NH2+]Cc1ccc(CNC(=O)CN2[C@H](C)CC[C@H]2C)c(F)c1 ZINC001486525796 1085408251 /nfs/dbraw/zinc/40/82/51/1085408251.db2.gz YJBMZDRGALAEHH-ZIAGYGMSSA-N 1 3 321.440 2.424 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCC1)N(C)C ZINC000960706936 1085421241 /nfs/dbraw/zinc/42/12/41/1085421241.db2.gz HIQFEDRDKPCRIH-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCC1)N(C)C ZINC000960706936 1085421244 /nfs/dbraw/zinc/42/12/44/1085421244.db2.gz HIQFEDRDKPCRIH-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCC1)N(C)C ZINC000960860287 1085486226 /nfs/dbraw/zinc/48/62/26/1085486226.db2.gz MFXJEJOPTPWACE-DLBZAZTESA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC1)N(C)C ZINC000960860287 1085486233 /nfs/dbraw/zinc/48/62/33/1085486233.db2.gz MFXJEJOPTPWACE-DLBZAZTESA-N 1 3 309.498 2.296 20 0 DEADHO C[N@H+](CC1CCCC1)C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC000960909736 1085504451 /nfs/dbraw/zinc/50/44/51/1085504451.db2.gz JYXYTIDZSYTTOT-INIZCTEOSA-N 1 3 304.438 2.065 20 0 DEADHO C[N@@H+](CC1CCCC1)C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC000960909736 1085504455 /nfs/dbraw/zinc/50/44/55/1085504455.db2.gz JYXYTIDZSYTTOT-INIZCTEOSA-N 1 3 304.438 2.065 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC2CC3(C2)CC([NH2+]CC2CCC2)C3)C1 ZINC000965062322 1085510580 /nfs/dbraw/zinc/51/05/80/1085510580.db2.gz IFSWXAYAXAFZHI-AEGNVBMISA-N 1 3 319.493 2.145 20 0 DEADHO CC[N@H+](C)C[C@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC000961028841 1085541730 /nfs/dbraw/zinc/54/17/30/1085541730.db2.gz SWOQGESHHIXZTO-QGZVFWFLSA-N 1 3 303.450 2.305 20 0 DEADHO CC[N@@H+](C)C[C@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC000961028841 1085541732 /nfs/dbraw/zinc/54/17/32/1085541732.db2.gz SWOQGESHHIXZTO-QGZVFWFLSA-N 1 3 303.450 2.305 20 0 DEADHO CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC000961376485 1085710752 /nfs/dbraw/zinc/71/07/52/1085710752.db2.gz TXHNMASCMIWLSI-ZWKOTPCHSA-N 1 3 321.509 2.297 20 0 DEADHO CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC000961376485 1085710758 /nfs/dbraw/zinc/71/07/58/1085710758.db2.gz TXHNMASCMIWLSI-ZWKOTPCHSA-N 1 3 321.509 2.297 20 0 DEADHO CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC000961401432 1085721095 /nfs/dbraw/zinc/72/10/95/1085721095.db2.gz FIZXEMXNSWLMRW-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC000961401432 1085721103 /nfs/dbraw/zinc/72/11/03/1085721103.db2.gz FIZXEMXNSWLMRW-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C(C)C ZINC000961948650 1085918765 /nfs/dbraw/zinc/91/87/65/1085918765.db2.gz UIAZKPFGKFPMTN-XDNAFOTISA-N 1 3 319.493 2.262 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C(C)C ZINC000961948650 1085918770 /nfs/dbraw/zinc/91/87/70/1085918770.db2.gz UIAZKPFGKFPMTN-XDNAFOTISA-N 1 3 319.493 2.262 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C1C[NH+](C[C@H](C)CC(C)C)C1 ZINC001409967653 1086334467 /nfs/dbraw/zinc/33/44/67/1086334467.db2.gz FHVVKMDQBWWQQH-KGLIPLIRSA-N 1 3 320.481 2.379 20 0 DEADHO CC[NH2+]C1(CNC(=O)[C@H](C2CC2)N2CCCC2)CCCCC1 ZINC001115648380 1086499562 /nfs/dbraw/zinc/49/95/62/1086499562.db2.gz NNTOXSNCNFWIOO-INIZCTEOSA-N 1 3 307.482 2.289 20 0 DEADHO CCC[NH+]1CCC2(CCN(C(=O)CN3CC[C@H](C)C3)CC2)CC1 ZINC000957605907 1088452029 /nfs/dbraw/zinc/45/20/29/1088452029.db2.gz PEVIOTOUSSBIQF-KRWDZBQOSA-N 1 3 321.509 2.443 20 0 DEADHO CC(C)[NH+]1CCC2(CCN(C(=O)CN3CC[C@@H](C)C3)CC2)CC1 ZINC000957606061 1088452970 /nfs/dbraw/zinc/45/29/70/1088452970.db2.gz XORZWBVDRIXZQO-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+](CC1CCN(C(=O)CN2CCC[C@H]2C)CC1)C(C)C ZINC000957753560 1088598517 /nfs/dbraw/zinc/59/85/17/1088598517.db2.gz WHQBWHFFMVXUMU-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CC[N@@H+](CC1CCN(C(=O)CN2CCC[C@H]2C)CC1)C(C)C ZINC000957753560 1088598534 /nfs/dbraw/zinc/59/85/34/1088598534.db2.gz WHQBWHFFMVXUMU-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CC[NH2+]C[C@H]1c2ccccc2CCN1C(=O)[C@H](CC)N(C)C ZINC000958803463 1089193704 /nfs/dbraw/zinc/19/37/04/1089193704.db2.gz UZRXKARQYINRFW-IRXDYDNUSA-N 1 3 303.450 2.062 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001082742969 1090065617 /nfs/dbraw/zinc/06/56/17/1090065617.db2.gz YWAJKYOVZWULFX-JFIYKMOQSA-N 1 3 319.493 2.265 20 0 DEADHO CC[C@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001084572141 1090331852 /nfs/dbraw/zinc/33/18/52/1090331852.db2.gz XLRWDEIAIONEBY-GVDBMIGSSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001084572141 1090331859 /nfs/dbraw/zinc/33/18/59/1090331859.db2.gz XLRWDEIAIONEBY-GVDBMIGSSA-N 1 3 321.509 2.440 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC(C)C)C[C@H]2C1 ZINC001410183373 1090386959 /nfs/dbraw/zinc/38/69/59/1090386959.db2.gz LOFWDAGQCWYCKV-BRWVUGGUSA-N 1 3 309.498 2.201 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC(C)C)C[C@H]2C1 ZINC001410183373 1090386965 /nfs/dbraw/zinc/38/69/65/1090386965.db2.gz LOFWDAGQCWYCKV-BRWVUGGUSA-N 1 3 309.498 2.201 20 0 DEADHO CCN(CCNC(=O)C[N@@H+]1CC[C@H](C)C1)Cc1ccc(F)cc1 ZINC001493021439 1091174927 /nfs/dbraw/zinc/17/49/27/1091174927.db2.gz JIKQDLBZFSPKHV-HNNXBMFYSA-N 1 3 321.440 2.106 20 0 DEADHO CCN(CCNC(=O)C[N@H+]1CC[C@H](C)C1)Cc1ccc(F)cc1 ZINC001493021439 1091174933 /nfs/dbraw/zinc/17/49/33/1091174933.db2.gz JIKQDLBZFSPKHV-HNNXBMFYSA-N 1 3 321.440 2.106 20 0 DEADHO CC(C)=CC[NH2+]C1(C)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001274374958 1091212119 /nfs/dbraw/zinc/21/21/19/1091212119.db2.gz GCBRXGNZZYBQFU-INIZCTEOSA-N 1 3 307.482 2.265 20 0 DEADHO CC/C=C\CCN1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001273420324 1091328075 /nfs/dbraw/zinc/32/80/75/1091328075.db2.gz UXRKHQKMJLNESZ-XFHJGTJQSA-N 1 3 307.482 2.361 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001274632588 1091339556 /nfs/dbraw/zinc/33/95/56/1091339556.db2.gz ABXGLBIGTROWAM-HOTGVXAUSA-N 1 3 307.482 2.406 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001274632588 1091339569 /nfs/dbraw/zinc/33/95/69/1091339569.db2.gz ABXGLBIGTROWAM-HOTGVXAUSA-N 1 3 307.482 2.406 20 0 DEADHO Cc1ccc(CN2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)[nH]1 ZINC001276074652 1091512245 /nfs/dbraw/zinc/51/22/45/1091512245.db2.gz ZFMXEQOKMDGHGH-UHFFFAOYSA-N 1 3 304.482 2.173 20 0 DEADHO Cc1ccc(CN2CCC3(CC[N@H+](CCN(C)C)C3)CC2)[nH]1 ZINC001276074652 1091512251 /nfs/dbraw/zinc/51/22/51/1091512251.db2.gz ZFMXEQOKMDGHGH-UHFFFAOYSA-N 1 3 304.482 2.173 20 0 DEADHO CCCC[C@H](CC)C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C)CC3)[C@@H]2C1 ZINC001275044704 1091526355 /nfs/dbraw/zinc/52/63/55/1091526355.db2.gz FDRLYAOBMJPGJS-GVDBMIGSSA-N 1 3 321.509 2.345 20 0 DEADHO CCCC[C@H](CC)C[N@H+]1C[C@H]2C(=O)NC3(CCN(C)CC3)[C@@H]2C1 ZINC001275044704 1091526366 /nfs/dbraw/zinc/52/63/66/1091526366.db2.gz FDRLYAOBMJPGJS-GVDBMIGSSA-N 1 3 321.509 2.345 20 0 DEADHO CCCC[C@H](CC)CN1C[C@@H]2CN(CC[NH+](C)C)C[C@H](C1)O2 ZINC001275077519 1091546446 /nfs/dbraw/zinc/54/64/46/1091546446.db2.gz VWFKZQMIPQEMFF-OKZBNKHCSA-N 1 3 311.514 2.149 20 0 DEADHO Cc1cc(F)ccc1CN1CC[C@H]2[C@@H]1CC[N@H+]2CCN(C)C ZINC001276121319 1091561416 /nfs/dbraw/zinc/56/14/16/1091561416.db2.gz YMACYZDIXLYSGE-ROUUACIJSA-N 1 3 305.441 2.344 20 0 DEADHO Cc1cc(F)ccc1CN1CC[C@H]2[C@@H]1CC[N@@H+]2CCN(C)C ZINC001276121319 1091561426 /nfs/dbraw/zinc/56/14/26/1091561426.db2.gz YMACYZDIXLYSGE-ROUUACIJSA-N 1 3 305.441 2.344 20 0 DEADHO Cc1ccc(F)cc1CN1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001275307878 1091662582 /nfs/dbraw/zinc/66/25/82/1091662582.db2.gz HYQOEPOKHGJMAR-UHFFFAOYSA-N 1 3 305.441 2.203 20 0 DEADHO CCc1cccc(CN2CCCC3(CN(CC[NH+](C)C)C3)C2)n1 ZINC001276189296 1091674116 /nfs/dbraw/zinc/67/41/16/1091674116.db2.gz BQYBAYLGJUVFHK-UHFFFAOYSA-N 1 3 316.493 2.103 20 0 DEADHO COC(C[N@H+](C)C[C@@H]1CCCN(Cc2ccccc2)C1)OC ZINC000719961812 1091692457 /nfs/dbraw/zinc/69/24/57/1091692457.db2.gz JVGQATWYSDPOHW-KRWDZBQOSA-N 1 3 306.450 2.449 20 0 DEADHO COC(C[N@@H+](C)C[C@@H]1CCCN(Cc2ccccc2)C1)OC ZINC000719961812 1091692459 /nfs/dbraw/zinc/69/24/59/1091692459.db2.gz JVGQATWYSDPOHW-KRWDZBQOSA-N 1 3 306.450 2.449 20 0 DEADHO C[C@@H](C[N@H+](C)CC1=CCCCC1)NC(=O)C1(N(C)C)CCC1 ZINC001275574219 1091876150 /nfs/dbraw/zinc/87/61/50/1091876150.db2.gz QFRRAHAXAPSMFZ-HNNXBMFYSA-N 1 3 307.482 2.408 20 0 DEADHO C[C@@H](C[N@@H+](C)CC1=CCCCC1)NC(=O)C1(N(C)C)CCC1 ZINC001275574219 1091876154 /nfs/dbraw/zinc/87/61/54/1091876154.db2.gz QFRRAHAXAPSMFZ-HNNXBMFYSA-N 1 3 307.482 2.408 20 0 DEADHO CCN(CC[NH2+]CCC1=CCCCC1)C(=O)Cc1c[nH]cn1 ZINC001273629035 1091963393 /nfs/dbraw/zinc/96/33/93/1091963393.db2.gz YHZRTOFFQNJCSE-UHFFFAOYSA-N 1 3 304.438 2.281 20 0 DEADHO COC(C)(C)CC[N@H+]1C[C@@H]2CCN(Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001276026904 1092531406 /nfs/dbraw/zinc/53/14/06/1092531406.db2.gz PYGWPRULNLZFKE-CALCHBBNSA-N 1 3 320.481 2.369 20 0 DEADHO COC(C)(C)CC[N@@H+]1C[C@@H]2CCN(Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001276026904 1092531420 /nfs/dbraw/zinc/53/14/20/1092531420.db2.gz PYGWPRULNLZFKE-CALCHBBNSA-N 1 3 320.481 2.369 20 0 DEADHO CCC(CC)C[NH2+][C@H]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001488740554 1092718491 /nfs/dbraw/zinc/71/84/91/1092718491.db2.gz KLTROCWOUHETMX-IYBDPMFKSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001488773272 1092744720 /nfs/dbraw/zinc/74/47/20/1092744720.db2.gz OAPBFONMECLQBH-VBQJREDUSA-N 1 3 313.461 2.092 20 0 DEADHO CCC(CC)C[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001488858115 1092783111 /nfs/dbraw/zinc/78/31/11/1092783111.db2.gz HRNFRMNSYCFURM-DJIMGWMZSA-N 1 3 309.498 2.249 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCCC[C@@H]([NH2+]CC[C@H](C)F)C1 ZINC001489244361 1092982429 /nfs/dbraw/zinc/98/24/29/1092982429.db2.gz UBADVKMKICGEOK-JKSUJKDBSA-N 1 3 315.477 2.436 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]CC1=CCCCC1)C1CC1)N(C)C ZINC001490712609 1093478505 /nfs/dbraw/zinc/47/85/05/1093478505.db2.gz KYQKTSQORSTVCW-SJORKVTESA-N 1 3 307.482 2.311 20 0 DEADHO CC(C)[N@H+](CCCNC(=O)C1(N(C)C)CCC1)CC1CCC1 ZINC001691732492 1138216289 /nfs/dbraw/zinc/21/62/89/1138216289.db2.gz IFGLBCGLAAKPKN-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)CC1CCC1 ZINC001691732492 1138216291 /nfs/dbraw/zinc/21/62/91/1138216291.db2.gz IFGLBCGLAAKPKN-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CC1(C)NC[C@@H](C[NH+]2CCC3(COc4ccccc43)CC2)O1 ZINC001236184448 1138338359 /nfs/dbraw/zinc/33/83/59/1138338359.db2.gz QVXFOOFBZZEGIX-AWEZNQCLSA-N 1 3 302.418 2.137 20 0 DEADHO CC(C)Oc1cc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cnc1F ZINC001236321596 1138352116 /nfs/dbraw/zinc/35/21/16/1138352116.db2.gz MXKAYIWIIIXZML-GASCZTMLSA-N 1 3 307.413 2.439 20 0 DEADHO Cc1ccc(C)c(NC(=O)NC[C@H]2CCC3(CCNCC3)[NH2+]2)c1 ZINC001239214513 1138988605 /nfs/dbraw/zinc/98/86/05/1138988605.db2.gz HGNOASFUDLQBLJ-OAHLLOKOSA-N 1 3 316.449 2.299 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]C/C=C/c1ccccc1)N(C)C ZINC001491580349 1140173910 /nfs/dbraw/zinc/17/39/10/1140173910.db2.gz RJMBTVVPSAZTJE-WMOQIWBFSA-N 1 3 317.477 2.380 20 0 DEADHO COc1cc(N2CC[NH2+]CC2)ccc1-c1ccc2[nH]c(N)nc2c1 ZINC001244290744 1140335310 /nfs/dbraw/zinc/33/53/10/1140335310.db2.gz SNKOQWRGIOUAJM-UHFFFAOYSA-N 1 3 323.400 2.230 20 0 DEADHO C[NH+](C)CCCOc1ccc(-c2ncnc3c2CCNC3)cc1 ZINC001245335037 1140618120 /nfs/dbraw/zinc/61/81/20/1140618120.db2.gz INGGFXJHRNHNPV-UHFFFAOYSA-N 1 3 312.417 2.120 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@@H]1CC[NH2+]CC1CCC1)N(C)C ZINC001319789114 1140716907 /nfs/dbraw/zinc/71/69/07/1140716907.db2.gz XLXJWOZFMSXHEK-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CC[C@H](CNC[C@H](O)COc2ccc(Cl)cc2)C[NH2+]1 ZINC001245975824 1140840603 /nfs/dbraw/zinc/84/06/03/1140840603.db2.gz QPZUYEONOLHKHM-NFAWXSAZSA-N 1 3 312.841 2.057 20 0 DEADHO CCCC[C@H](CC)COC[C@H](O)CN1CCC[C@@H]([NH3+])CC1 ZINC001246018164 1140846533 /nfs/dbraw/zinc/84/65/33/1140846533.db2.gz VAHFPADWIDIFRO-GVDBMIGSSA-N 1 3 300.487 2.394 20 0 DEADHO Cc1ccccc1OC[C@@H](O)CN1CCCC[C@](C)(C[NH3+])C1 ZINC001246019306 1140847317 /nfs/dbraw/zinc/84/73/17/1140847317.db2.gz DHZFHKUETIUHRV-FUHWJXTLSA-N 1 3 306.450 2.186 20 0 DEADHO Cc1ccc(OC[C@@H](O)CN2CCCC[C@](C)(C[NH3+])C2)cc1 ZINC001246025360 1140849155 /nfs/dbraw/zinc/84/91/55/1140849155.db2.gz XKVKFYQIZUTDOG-FUHWJXTLSA-N 1 3 306.450 2.186 20 0 DEADHO CCCC[C@H](CC)COC[C@@H](O)CN1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246045812 1140852635 /nfs/dbraw/zinc/85/26/35/1140852635.db2.gz NAMHWZZGLHKKJR-JCECYMMASA-N 1 3 312.498 2.249 20 0 DEADHO C[C@@H]1CC[C@@H](C[NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)NC1 ZINC001246107638 1140862289 /nfs/dbraw/zinc/86/22/89/1140862289.db2.gz SRQOOOKPVZZYBO-NJAFHUGGSA-N 1 3 315.461 2.269 20 0 DEADHO O=C(c1ccccc1)N1CCC[C@H]([NH2+][C@@H]2CNCC23CC3)CC1 ZINC001246135136 1140865099 /nfs/dbraw/zinc/86/50/99/1140865099.db2.gz STEUZNWNSFQBDX-DLBZAZTESA-N 1 3 313.445 2.023 20 0 DEADHO C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1[C@H]2CNC[C@@H]1COC2 ZINC001246145774 1140866060 /nfs/dbraw/zinc/86/60/60/1140866060.db2.gz DSWBKIWYTYCNPC-KBNOKHGBSA-N 1 3 312.816 2.234 20 0 DEADHO C[C@H](Cc1ccc(F)cc1Cl)N[C@@H]1[C@H]2C[NH2+]C[C@@H]1COC2 ZINC001246145774 1140866063 /nfs/dbraw/zinc/86/60/63/1140866063.db2.gz DSWBKIWYTYCNPC-KBNOKHGBSA-N 1 3 312.816 2.234 20 0 DEADHO C[C@@H]1CC[C@@H](NC[C@@H]2CCC(=O)N(Cc3ccccc3)C2)C[NH2+]1 ZINC001246326788 1140884643 /nfs/dbraw/zinc/88/46/43/1140884643.db2.gz HJXIRGKFCJLJLP-BPQIPLTHSA-N 1 3 315.461 2.155 20 0 DEADHO FC(F)(F)[C@H]1C[C@@H]([NH2+]C2(CC3CC3)CCNCC2)CCN1 ZINC001246379750 1140891398 /nfs/dbraw/zinc/89/13/98/1140891398.db2.gz BXWQETUKXYOUNL-QWHCGFSZSA-N 1 3 305.388 2.181 20 0 DEADHO c1ccc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCOCC2)nc1 ZINC001246385869 1140891680 /nfs/dbraw/zinc/89/16/80/1140891680.db2.gz FPOAFCNISYHYSQ-XYPWUTKMSA-N 1 3 301.434 2.002 20 0 DEADHO CC(=O)N1CC[C@H](N[C@@H](c2ccccc2F)C2CC[NH2+]CC2)C1 ZINC001246400556 1140894102 /nfs/dbraw/zinc/89/41/02/1140894102.db2.gz OTWXAJNKJXSDRC-MAUKXSAKSA-N 1 3 319.424 2.077 20 0 DEADHO O=C(N[C@H]1CC[C@H]([NH2+]C2CCNCC2)CC1)c1cccc(F)c1 ZINC001246398589 1140894160 /nfs/dbraw/zinc/89/41/60/1140894160.db2.gz WUCRTBLRTYUPLU-WKILWMFISA-N 1 3 319.424 2.208 20 0 DEADHO COc1cc2c(cc1OC)C[C@@H]([NH2+][C@@H]1CCN[C@H](C)C1)CC2 ZINC001246465388 1140911229 /nfs/dbraw/zinc/91/12/29/1140911229.db2.gz XVKRRFWKLCQTSJ-UHOFOFEASA-N 1 3 304.434 2.291 20 0 DEADHO CN[C@H]1C[C@@H]([NH2+]C2CCC(OC(=O)c3ccccc3)CC2)C1 ZINC001246498985 1140926762 /nfs/dbraw/zinc/92/67/62/1140926762.db2.gz ZKQSCDHOVGUDGQ-HPZPOOBXSA-N 1 3 302.418 2.495 20 0 DEADHO CCN(CC[NH2+]CC1CC(C)C1)C(=O)CN(C)CC(C)(C)C ZINC001320841321 1140947110 /nfs/dbraw/zinc/94/71/10/1140947110.db2.gz UQWYAROZHPGART-UHFFFAOYSA-N 1 3 311.514 2.449 20 0 DEADHO CC[C@H](Cc1ccc2c(c1)OCO2)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246628313 1141010675 /nfs/dbraw/zinc/01/06/75/1141010675.db2.gz BZOGXRIFPRQGSN-CRAIPNDOSA-N 1 3 302.418 2.422 20 0 DEADHO CCCCC[C@H](C)N1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001246665485 1141028871 /nfs/dbraw/zinc/02/88/71/1141028871.db2.gz HQSXAKDMHJWQDH-INIZCTEOSA-N 1 3 322.497 2.429 20 0 DEADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(CCN(c4ccsc4)C3=O)C2)CCN1 ZINC001246712573 1141042853 /nfs/dbraw/zinc/04/28/53/1141042853.db2.gz BLOMOEJAWPNHAI-JKIFEVAISA-N 1 3 319.474 2.317 20 0 DEADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(CCN(c4ccsc4)C3=O)C2)CCN1 ZINC001246712573 1141042862 /nfs/dbraw/zinc/04/28/62/1141042862.db2.gz BLOMOEJAWPNHAI-JKIFEVAISA-N 1 3 319.474 2.317 20 0 DEADHO C[NH2+]CC[C@@H](C)N1CCCn2cnc(CNC3CCCC3)c2C1 ZINC001246767162 1141053400 /nfs/dbraw/zinc/05/34/00/1141053400.db2.gz CYJOIXGMQWVQLV-OAHLLOKOSA-N 1 3 319.497 2.119 20 0 DEADHO C[NH+](C)Cc1cccc(C(=O)NC/C=C/CNC/C=C\Cl)c1 ZINC001321418221 1141241036 /nfs/dbraw/zinc/24/10/36/1141241036.db2.gz XZUBIJWGCHIVIZ-KXIWCOCFSA-N 1 3 321.852 2.376 20 0 DEADHO c1cc(-c2nc3ccccc3n2[C@@H]2CC[NH2+]C2)n2c1CNCC2 ZINC001247047144 1141255377 /nfs/dbraw/zinc/25/53/77/1141255377.db2.gz KJKIVMAGUKCJGG-CQSZACIVSA-N 1 3 307.401 2.142 20 0 DEADHO CC1(C)C[NH2+][C@](C)(c2nc(-c3ccc4c(n3)CCNC4)no2)C1 ZINC001247788532 1141509556 /nfs/dbraw/zinc/50/95/56/1141509556.db2.gz SNWPZOZOTNVORT-KRWDZBQOSA-N 1 3 313.405 2.012 20 0 DEADHO CC/C=C\CCN1CC[C@@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001323246038 1141832796 /nfs/dbraw/zinc/83/27/96/1141832796.db2.gz KUFOFKKYOWLIIZ-OSNZYPHYSA-N 1 3 307.482 2.408 20 0 DEADHO CC/C=C\CCN1CC[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001323246038 1141832797 /nfs/dbraw/zinc/83/27/97/1141832797.db2.gz KUFOFKKYOWLIIZ-OSNZYPHYSA-N 1 3 307.482 2.408 20 0 DEADHO COc1ccc2nc(CN3CCC4(C3)CC[NH+](C)CC4)[nH]c2c1 ZINC001249414348 1141885453 /nfs/dbraw/zinc/88/54/53/1141885453.db2.gz CFVUXIVHCUZIRI-UHFFFAOYSA-N 1 3 314.433 2.489 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCF)C1 ZINC001278555840 1142094980 /nfs/dbraw/zinc/09/49/80/1142094980.db2.gz GKDJTGVVVPNOJH-WBVHZDCISA-N 1 3 313.461 2.047 20 0 DEADHO CN(CC(=O)N[C@H]1CC[C@@H](C[NH2+]CCCF)C1)CC(C)(C)C ZINC001278592379 1142275780 /nfs/dbraw/zinc/27/57/80/1142275780.db2.gz BMWWMHWIWGHVDV-CABCVRRESA-N 1 3 315.477 2.198 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](NC[C@H](O)COCc2ccccc2)[C@H](C)C1 ZINC001252310265 1142681446 /nfs/dbraw/zinc/68/14/46/1142681446.db2.gz IOFGIEIHZWHRGF-NZSAHSFTSA-N 1 3 320.477 2.273 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](NC[C@H](O)COCc2ccccc2)[C@H](C)C1 ZINC001252310265 1142681460 /nfs/dbraw/zinc/68/14/60/1142681460.db2.gz IOFGIEIHZWHRGF-NZSAHSFTSA-N 1 3 320.477 2.273 20 0 DEADHO CC(C)[C@H](O)C[N@@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC001253768674 1142922776 /nfs/dbraw/zinc/92/27/76/1142922776.db2.gz WKFAYJKIUWDALT-CEXWTWQISA-N 1 3 302.462 2.457 20 0 DEADHO CC(C)[C@H](O)C[N@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC001253768674 1142922782 /nfs/dbraw/zinc/92/27/82/1142922782.db2.gz WKFAYJKIUWDALT-CEXWTWQISA-N 1 3 302.462 2.457 20 0 DEADHO CC(C)[C@H](O)CN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001253768674 1142922791 /nfs/dbraw/zinc/92/27/91/1142922791.db2.gz WKFAYJKIUWDALT-CEXWTWQISA-N 1 3 302.462 2.457 20 0 DEADHO CC(C)[C@H](O)CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001253768674 1142922805 /nfs/dbraw/zinc/92/28/05/1142922805.db2.gz WKFAYJKIUWDALT-CEXWTWQISA-N 1 3 302.462 2.457 20 0 DEADHO Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCN(C(C)C)C[C@@H]2C)cc1 ZINC001253851064 1142989614 /nfs/dbraw/zinc/98/96/14/1142989614.db2.gz NUVFFOIAIZHRNR-YQVWRLOYSA-N 1 3 320.477 2.443 20 0 DEADHO CCOC(=O)Cc1ccc(C[NH2+][C@@H]2CCCN(C)CC2)cc1 ZINC001254501385 1143148024 /nfs/dbraw/zinc/14/80/24/1143148024.db2.gz UKVORSCTOIRYQC-QGZVFWFLSA-N 1 3 304.434 2.366 20 0 DEADHO CCOC(=O)Cc1ccc(CN[C@@H]2CCC[N@H+](C)CC2)cc1 ZINC001254501385 1143148033 /nfs/dbraw/zinc/14/80/33/1143148033.db2.gz UKVORSCTOIRYQC-QGZVFWFLSA-N 1 3 304.434 2.366 20 0 DEADHO CCOC(=O)Cc1ccc(CN[C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254501385 1143148043 /nfs/dbraw/zinc/14/80/43/1143148043.db2.gz UKVORSCTOIRYQC-QGZVFWFLSA-N 1 3 304.434 2.366 20 0 DEADHO F[C@H]1CN([C@H]2CC3CC[NH+](CC3)C2)CC[C@H]1N1CCCCC1 ZINC001254866735 1143345662 /nfs/dbraw/zinc/34/56/62/1143345662.db2.gz STWNAYZPRVQYLS-OKZBNKHCSA-N 1 3 309.473 2.369 20 0 DEADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(N(C)C)CC1)C2 ZINC001255200783 1143489986 /nfs/dbraw/zinc/48/99/86/1143489986.db2.gz QNOCUYPLNOXGMR-MUJYYYPQSA-N 1 3 309.454 2.164 20 0 DEADHO CCCN1C[C@@H]2C[NH+](C3CCC(C(=O)OCC)CC3)C[C@H]2C1 ZINC001255264636 1143531361 /nfs/dbraw/zinc/53/13/61/1143531361.db2.gz WQBYQWPBZMPLEM-JCCCHCCOSA-N 1 3 308.466 2.382 20 0 DEADHO C(C1CCCC1)N1CCO[C@@H]2C[N@@H+]([C@H]3CCSC3)C[C@@H]2C1 ZINC001255286532 1143544765 /nfs/dbraw/zinc/54/47/65/1143544765.db2.gz OPVUMPTUDRUKQK-YESZJQIVSA-N 1 3 310.507 2.315 20 0 DEADHO C(C1CCCC1)N1CCO[C@@H]2C[N@H+]([C@H]3CCSC3)C[C@@H]2C1 ZINC001255286532 1143544787 /nfs/dbraw/zinc/54/47/87/1143544787.db2.gz OPVUMPTUDRUKQK-YESZJQIVSA-N 1 3 310.507 2.315 20 0 DEADHO CCCN1C[C@@H]2C[NH+]([C@@H]3CCC[C@@H](C(=O)OCC)C3)C[C@H]2C1 ZINC001255377142 1143585278 /nfs/dbraw/zinc/58/52/78/1143585278.db2.gz GHHAGVCDOYADES-QBPKDAKJSA-N 1 3 308.466 2.382 20 0 DEADHO CCC[NH2+][C@H]1CCc2c(sc(=N)n2[C@H]2CCCN(C)C2)C1 ZINC001255488997 1143693881 /nfs/dbraw/zinc/69/38/81/1143693881.db2.gz JPHZXLDTYSJPMU-STQMWFEESA-N 1 3 308.495 2.153 20 0 DEADHO C[NH+](C)CCN1CCN([C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001255709758 1143803280 /nfs/dbraw/zinc/80/32/80/1143803280.db2.gz RWOOQPPSITVVJU-ZIAGYGMSSA-N 1 3 307.404 2.287 20 0 DEADHO CC[NH+](CC)CC[C@H](C)N[C@H]1CCCN(c2ccncn2)C1 ZINC001255953525 1143816608 /nfs/dbraw/zinc/81/66/08/1143816608.db2.gz LGMXASQILDOZKD-HOTGVXAUSA-N 1 3 305.470 2.155 20 0 DEADHO CC[NH+](CC)CC[C@@H](C)NCC1(c2cnccn2)CCOCC1 ZINC001255954742 1143816655 /nfs/dbraw/zinc/81/66/55/1143816655.db2.gz YXKXOMDUDXUVEJ-MRXNPFEDSA-N 1 3 320.481 2.235 20 0 DEADHO FCCn1cnc(CNC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001256854256 1143871040 /nfs/dbraw/zinc/87/10/40/1143871040.db2.gz NERPPWBSRXRYKE-UHFFFAOYSA-N 1 3 303.385 2.006 20 0 DEADHO COC(=O)CN(C1CCCC1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256862613 1143871671 /nfs/dbraw/zinc/87/16/71/1143871671.db2.gz PJYGASWOVRLTAC-UHFFFAOYSA-N 1 3 317.433 2.468 20 0 DEADHO FC1(F)C[C@H]2CN(C3CCN(c4cc[nH+]cc4)CC3)CCN2C1 ZINC001256862046 1143871853 /nfs/dbraw/zinc/87/18/53/1143871853.db2.gz GUOOXKLWOCTIGO-INIZCTEOSA-N 1 3 322.403 2.076 20 0 DEADHO CCCC(CCC)[N@@H+]1CCCn2c(=O)cc(CN(C)C)nc2C1 ZINC001257337507 1143898818 /nfs/dbraw/zinc/89/88/18/1143898818.db2.gz XJXDSLIENTVFLK-UHFFFAOYSA-N 1 3 320.481 2.479 20 0 DEADHO CCCC(CCC)[N@H+]1CCCn2c(=O)cc(CN(C)C)nc2C1 ZINC001257337507 1143898819 /nfs/dbraw/zinc/89/88/19/1143898819.db2.gz XJXDSLIENTVFLK-UHFFFAOYSA-N 1 3 320.481 2.479 20 0 DEADHO CC[C@H](C)[NH2+][C@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001257427495 1143912986 /nfs/dbraw/zinc/91/29/86/1143912986.db2.gz KNTOLWLFQHBPPE-RDJZCZTQSA-N 1 3 317.477 2.190 20 0 DEADHO CC(C)C[NH+]1CCC(N2CC[C@H]3[C@H](CCC(=O)N3C)C2)CC1 ZINC001258019688 1143967035 /nfs/dbraw/zinc/96/70/35/1143967035.db2.gz FHZWMZAPBFZFME-WBVHZDCISA-N 1 3 307.482 2.050 20 0 DEADHO CCN1C[C@@H]2C[C@H]1CN2C1CC[NH+](CCc2ccccc2)CC1 ZINC001258149310 1143978902 /nfs/dbraw/zinc/97/89/02/1143978902.db2.gz JGAIBSGGFFFIOR-PMACEKPBSA-N 1 3 313.489 2.472 20 0 DEADHO CCC[NH+]1CCC(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)CC1 ZINC001258772542 1144040134 /nfs/dbraw/zinc/04/01/34/1144040134.db2.gz SEFRBJXFPMKNPC-KSSFIOAISA-N 1 3 323.481 2.460 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC001261500570 1144252427 /nfs/dbraw/zinc/25/24/27/1144252427.db2.gz XBWPYGGKDRPLBC-ZIAGYGMSSA-N 1 3 324.856 2.034 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC001261500570 1144252432 /nfs/dbraw/zinc/25/24/32/1144252432.db2.gz XBWPYGGKDRPLBC-ZIAGYGMSSA-N 1 3 324.856 2.034 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001265448035 1144704582 /nfs/dbraw/zinc/70/45/82/1144704582.db2.gz HTXLWPXIKBZTCV-AUNFYEFLSA-N 1 3 324.428 2.246 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCCF ZINC001265691148 1144728817 /nfs/dbraw/zinc/72/88/17/1144728817.db2.gz FTTHHMSEYHEHAC-HOTGVXAUSA-N 1 3 313.461 2.191 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001265964009 1144771005 /nfs/dbraw/zinc/77/10/05/1144771005.db2.gz PCJDWZPJJLGTDZ-MSOLQXFVSA-N 1 3 319.493 2.409 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001265964693 1144771747 /nfs/dbraw/zinc/77/17/47/1144771747.db2.gz ZKGCRVNFVXFAOZ-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO CC[NH2+]CCc1ccc(CNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001266088268 1144803912 /nfs/dbraw/zinc/80/39/12/1144803912.db2.gz RGILQKBYNSKAJI-KRWDZBQOSA-N 1 3 305.466 2.041 20 0 DEADHO CC/C=C/CCN1CC[C@@H]1CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001316607312 1144862312 /nfs/dbraw/zinc/86/23/12/1144862312.db2.gz RXYSDZXXTPTURK-SDKBWNRFSA-N 1 3 307.482 2.217 20 0 DEADHO CC/C=C/CCN1CC[C@@H]1CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001316607312 1144862313 /nfs/dbraw/zinc/86/23/13/1144862313.db2.gz RXYSDZXXTPTURK-SDKBWNRFSA-N 1 3 307.482 2.217 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H](C[NH2+]CCC2CC2)C1)N(C)C ZINC001317162265 1144924422 /nfs/dbraw/zinc/92/44/22/1144924422.db2.gz MTWAOTPBBWUWSV-SJORKVTESA-N 1 3 309.498 2.201 20 0 DEADHO CC1(N2CCC2)CC[NH+](C[C@H]2CCC[C@@]3(CCOC3)O2)CC1 ZINC001364786369 1145565681 /nfs/dbraw/zinc/56/56/81/1145565681.db2.gz PLRKBPAVMULVKZ-AEFFLSMTSA-N 1 3 308.466 2.275 20 0 DEADHO CC(C)COC(=O)N1CCC([NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)CC1 ZINC001364932767 1145690099 /nfs/dbraw/zinc/69/00/99/1145690099.db2.gz NOQOHIROTQEJNF-USXIJHARSA-N 1 3 323.481 2.173 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCCCN1C ZINC001365104407 1145802294 /nfs/dbraw/zinc/80/22/94/1145802294.db2.gz ZYQUQTINYVDJAL-IAGOWNOFSA-N 1 3 324.513 2.425 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCCCN1C ZINC001365104407 1145802295 /nfs/dbraw/zinc/80/22/95/1145802295.db2.gz ZYQUQTINYVDJAL-IAGOWNOFSA-N 1 3 324.513 2.425 20 0 DEADHO CCc1ncc(C[NH2+]C[C@@H](C)CN2CCN(CC)CC2)s1 ZINC001365360169 1145858477 /nfs/dbraw/zinc/85/84/77/1145858477.db2.gz OVWQPRSKWQULBJ-CQSZACIVSA-N 1 3 310.511 2.069 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@H](C)CC)C1 ZINC001365808804 1146016161 /nfs/dbraw/zinc/01/61/61/1146016161.db2.gz NNJXWKQIAGWOOJ-WCXIOVBPSA-N 1 3 309.498 2.391 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CC)C[C@H]1c1ccccc1 ZINC001365850504 1146028473 /nfs/dbraw/zinc/02/84/73/1146028473.db2.gz QGFRRISXNMCHOP-ZWKOTPCHSA-N 1 3 317.477 2.322 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC)C[C@H]1c1ccccc1 ZINC001365850504 1146028479 /nfs/dbraw/zinc/02/84/79/1146028479.db2.gz QGFRRISXNMCHOP-ZWKOTPCHSA-N 1 3 317.477 2.322 20 0 DEADHO CN(CC(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC2)C1)CC(C)(C)C ZINC001365855640 1146030450 /nfs/dbraw/zinc/03/04/50/1146030450.db2.gz NFFVEMIBMCCPED-WKILWMFISA-N 1 3 309.498 2.249 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cncs2)C1 ZINC001491894554 1146962301 /nfs/dbraw/zinc/96/23/01/1146962301.db2.gz ANSXVHFWARDZAS-KGLIPLIRSA-N 1 3 324.494 2.000 20 0 DEADHO CC[C@@H](F)CN1CCC2(C[C@@H]2NC(=O)CC[N@H+](C)CC)CC1 ZINC001366013640 1147008647 /nfs/dbraw/zinc/00/86/47/1147008647.db2.gz FRSZOXGEWLEIIZ-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@@H](F)CN1CCC2(C[C@@H]2NC(=O)CC[N@@H+](C)CC)CC1 ZINC001366013640 1147008652 /nfs/dbraw/zinc/00/86/52/1147008652.db2.gz FRSZOXGEWLEIIZ-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCC1 ZINC001366083191 1147046836 /nfs/dbraw/zinc/04/68/36/1147046836.db2.gz NXNLOCHFQJTPMA-CALCHBBNSA-N 1 3 307.482 2.194 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1)N(C)C ZINC001366160208 1147084764 /nfs/dbraw/zinc/08/47/64/1147084764.db2.gz DJPNMWKVYHITOF-OWCLPIDISA-N 1 3 323.868 2.417 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2C)C1)N(C)C ZINC001366173926 1147092213 /nfs/dbraw/zinc/09/22/13/1147092213.db2.gz WDHUKJSJWZQPSD-FGTMMUONSA-N 1 3 317.477 2.380 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001366231093 1147138100 /nfs/dbraw/zinc/13/81/00/1147138100.db2.gz TYOYTJGASKLNQA-RDJZCZTQSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001366231093 1147138108 /nfs/dbraw/zinc/13/81/08/1147138108.db2.gz TYOYTJGASKLNQA-RDJZCZTQSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001366365795 1147237443 /nfs/dbraw/zinc/23/74/43/1147237443.db2.gz KYKZZBDBNYDIDX-SUMWQHHRSA-N 1 3 321.440 2.248 20 0 DEADHO CN(CCNC(=O)C1CC[NH+](C)CC1)Cc1ccc(CF)cc1 ZINC001366559775 1147353031 /nfs/dbraw/zinc/35/30/31/1147353031.db2.gz SCEXVHIGTANOLS-UHFFFAOYSA-N 1 3 321.440 2.046 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](C)Cc1ccc(C)cc1C)N(C)C ZINC001366584205 1147373547 /nfs/dbraw/zinc/37/35/47/1147373547.db2.gz PSFDGAIYZITWTB-QGZVFWFLSA-N 1 3 305.466 2.192 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](C)Cc1ccc(C)cc1C)N(C)C ZINC001366584205 1147373550 /nfs/dbraw/zinc/37/35/50/1147373550.db2.gz PSFDGAIYZITWTB-QGZVFWFLSA-N 1 3 305.466 2.192 20 0 DEADHO CC[C@H](C(=O)N1CCCCC[C@H]([NH2+]CCCF)C1)N(C)C ZINC001316768376 1147576596 /nfs/dbraw/zinc/57/65/96/1147576596.db2.gz CCROPFQWNQATNW-LSDHHAIUSA-N 1 3 301.450 2.047 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)CC2CCCC2)C1 ZINC001366881765 1147605352 /nfs/dbraw/zinc/60/53/52/1147605352.db2.gz JVMVWFNOSJOXEA-KRWDZBQOSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001366881765 1147605355 /nfs/dbraw/zinc/60/53/55/1147605355.db2.gz JVMVWFNOSJOXEA-KRWDZBQOSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)[C@H](C(=O)NCC1C[NH+](CCC2CCCC2)C1)N(C)C ZINC001366985909 1147628640 /nfs/dbraw/zinc/62/86/40/1147628640.db2.gz QRNZRZVOAFRXIV-QGZVFWFLSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(F)cc1 ZINC001367106490 1147650756 /nfs/dbraw/zinc/65/07/56/1147650756.db2.gz ZDOBQNOVSBHFDG-INIZCTEOSA-N 1 3 321.440 2.294 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC1CC[NH+](CC(C)C)CC1 ZINC001367212712 1147664682 /nfs/dbraw/zinc/66/46/82/1147664682.db2.gz GNRLWORHALSTLG-UHFFFAOYSA-N 1 3 306.454 2.135 20 0 DEADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC1CCN(CCF)CC1 ZINC001367211874 1147664703 /nfs/dbraw/zinc/66/47/03/1147664703.db2.gz FNOIZUINCQENIS-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001367215750 1147665223 /nfs/dbraw/zinc/66/52/23/1147665223.db2.gz PUCLWNZINRUAHH-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CC[NH2+]C1(CNC(=O)c2cccc(CN(C)C)c2)CCCC1 ZINC001367332143 1147679280 /nfs/dbraw/zinc/67/92/80/1147679280.db2.gz UKOJVNUMDHZQLQ-UHFFFAOYSA-N 1 3 303.450 2.400 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC2(C[NH+](CCC3CC3)C2)CC1 ZINC001367335932 1147679939 /nfs/dbraw/zinc/67/99/39/1147679939.db2.gz VPEBJPATKPJIQR-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CC1=CCCCC1 ZINC001317259474 1147683370 /nfs/dbraw/zinc/68/33/70/1147683370.db2.gz WSGFERMQYQODIH-HNNXBMFYSA-N 1 3 307.482 2.456 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001367557594 1147715790 /nfs/dbraw/zinc/71/57/90/1147715790.db2.gz ACNOEGWJHMESKI-QZTJIDSGSA-N 1 3 317.477 2.401 20 0 DEADHO CCCC[NH2+][C@H](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001317686260 1147744240 /nfs/dbraw/zinc/74/42/40/1147744240.db2.gz MPYLXMDRFBMGGA-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1csc(C)c1)C1CC1)N(C)C ZINC001367900335 1147767463 /nfs/dbraw/zinc/76/74/63/1147767463.db2.gz KWHSWASSYCEERC-HOTGVXAUSA-N 1 3 323.506 2.381 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCC2CC2)C1 ZINC001326437268 1148099984 /nfs/dbraw/zinc/09/99/84/1148099984.db2.gz JXIVVEQOCYEQCJ-ZWKOTPCHSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCC(F)(F)F)C[C@H]1C ZINC001368105222 1148229612 /nfs/dbraw/zinc/22/96/12/1148229612.db2.gz LNFBCNLNHGODBJ-OLZOCXBDSA-N 1 3 323.403 2.250 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CC2CC2)C1 ZINC001368192796 1148318198 /nfs/dbraw/zinc/31/81/98/1148318198.db2.gz FFHAHKHIMCQEDC-IEBWSBKVSA-N 1 3 321.509 2.488 20 0 DEADHO CCCCC[N@@H+]1CCC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001327148248 1148337231 /nfs/dbraw/zinc/33/72/31/1148337231.db2.gz RKUNSBKNDAACHA-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO CCCCC[N@H+]1CCC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001327148248 1148337235 /nfs/dbraw/zinc/33/72/35/1148337235.db2.gz RKUNSBKNDAACHA-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO CCOc1ccc(C[NH2+]CCCN2CCN(CC)CC2)cc1F ZINC000278287620 214069296 /nfs/dbraw/zinc/06/92/96/214069296.db2.gz BOBHFZDADJWXSV-UHFFFAOYSA-N 1 3 323.456 2.342 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N[C@@]1(C)CC[NH2+]C1)c1ccsc1 ZINC000612867496 361935471 /nfs/dbraw/zinc/93/54/71/361935471.db2.gz AUXMJKWWRQCXDA-HOCLYGCPSA-N 1 3 324.494 2.182 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000417627843 529446135 /nfs/dbraw/zinc/44/61/35/529446135.db2.gz ONYNJFOPHDLFOB-ZFWWWQNUSA-N 1 3 306.454 2.152 20 0 DEADHO CC[C@@H]([NH3+])CNC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000417627842 529560051 /nfs/dbraw/zinc/56/00/51/529560051.db2.gz ONYNJFOPHDLFOB-UKRRQHHQSA-N 1 3 306.454 2.152 20 0 DEADHO CN(C)[C@H](CNC(=O)[C@H]1[NH2+]CCCC1(C)C)Cc1ccccc1 ZINC000423313968 282246405 /nfs/dbraw/zinc/24/64/05/282246405.db2.gz XNQYOMRKUHNKDS-DLBZAZTESA-N 1 3 317.477 2.054 20 0 DEADHO C[NH2+]C[C@H](C)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000163577023 290706362 /nfs/dbraw/zinc/70/63/62/290706362.db2.gz SBOWYSZJUNLFJX-GJZGRUSLSA-N 1 3 323.506 2.493 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCN1CCc2ccccc2C1=O ZINC000191627462 282331071 /nfs/dbraw/zinc/33/10/71/282331071.db2.gz KQDLKYDCRQRWEM-IIDMSEBBSA-N 1 3 315.461 2.003 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCN1CCc2ccccc2C1=O ZINC000191627462 282331075 /nfs/dbraw/zinc/33/10/75/282331075.db2.gz KQDLKYDCRQRWEM-IIDMSEBBSA-N 1 3 315.461 2.003 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCN1CCc2ccccc2C1=O ZINC000191627478 282331346 /nfs/dbraw/zinc/33/13/46/282331346.db2.gz KQDLKYDCRQRWEM-RVKKMQEKSA-N 1 3 315.461 2.003 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCN1CCc2ccccc2C1=O ZINC000191627478 282331349 /nfs/dbraw/zinc/33/13/49/282331349.db2.gz KQDLKYDCRQRWEM-RVKKMQEKSA-N 1 3 315.461 2.003 20 0 DEADHO C[N@@H+]1CCC[C@]2(CCN(CCC(=O)Nc3ccccc3)C2)C1 ZINC000293077674 530065387 /nfs/dbraw/zinc/06/53/87/530065387.db2.gz WBBYQGOROAIKKG-SFHVURJKSA-N 1 3 301.434 2.433 20 0 DEADHO C[N@H+]1CCC[C@]2(CCN(CCC(=O)Nc3ccccc3)C2)C1 ZINC000293077674 530065388 /nfs/dbraw/zinc/06/53/88/530065388.db2.gz WBBYQGOROAIKKG-SFHVURJKSA-N 1 3 301.434 2.433 20 0 DEADHO CN1CCC(Oc2ccc(CN[C@@H]3CCC[NH2+]CC3)cc2)CC1 ZINC000423107716 530050915 /nfs/dbraw/zinc/05/09/15/530050915.db2.gz QBRHRYBXEMFUSL-QGZVFWFLSA-N 1 3 317.477 2.391 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1)N1CCCCC1 ZINC000615617973 362660460 /nfs/dbraw/zinc/66/04/60/362660460.db2.gz DLDBRNNICBNIGH-HKUYNNGSSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1)N1CCCCC1 ZINC000615617973 362660461 /nfs/dbraw/zinc/66/04/61/362660461.db2.gz DLDBRNNICBNIGH-HKUYNNGSSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H](C)[C@H](OC)c2ccccc2)CC1 ZINC000279744107 215110764 /nfs/dbraw/zinc/11/07/64/215110764.db2.gz PGKQTVWEPHFXFJ-MJGOQNOKSA-N 1 3 319.493 2.380 20 0 DEADHO CC(C)CC(=O)N1CCC([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000166373378 539609152 /nfs/dbraw/zinc/60/91/52/539609152.db2.gz QEFXVCRVSSAUMU-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)CC(=O)N1CCC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166373378 539609154 /nfs/dbraw/zinc/60/91/54/539609154.db2.gz QEFXVCRVSSAUMU-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)CC(=O)N1CCC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166373378 539609158 /nfs/dbraw/zinc/60/91/58/539609158.db2.gz QEFXVCRVSSAUMU-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(=O)Nc1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166485720 539609273 /nfs/dbraw/zinc/60/92/73/539609273.db2.gz QZYLOIRNSICYLS-QZTJIDSGSA-N 1 3 301.434 2.404 20 0 DEADHO CC(=O)Nc1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166485720 539609277 /nfs/dbraw/zinc/60/92/77/539609277.db2.gz QZYLOIRNSICYLS-QZTJIDSGSA-N 1 3 301.434 2.404 20 0 DEADHO CC(C)([NH3+])CC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000236840567 539740398 /nfs/dbraw/zinc/74/03/98/539740398.db2.gz KIWYXYVWZWRZTQ-UHFFFAOYSA-N 1 3 303.450 2.067 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000236880881 539740893 /nfs/dbraw/zinc/74/08/93/539740893.db2.gz HPJDENXZVWLJHQ-IXDOHACOSA-N 1 3 303.450 2.313 20 0 DEADHO C[C@H](C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@H](N)c1ccccc1 ZINC000262668738 282676778 /nfs/dbraw/zinc/67/67/78/282676778.db2.gz LVURFIHPWXXFMQ-DZKIICNBSA-N 1 3 305.466 2.415 20 0 DEADHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H](C)CN(C)C)c1 ZINC000287155514 219347614 /nfs/dbraw/zinc/34/76/14/219347614.db2.gz QPKBNMOWJJSNME-HNNXBMFYSA-N 1 3 320.481 2.278 20 0 DEADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cccc(CN(C)C)c1 ZINC000155723032 186106876 /nfs/dbraw/zinc/10/68/76/186106876.db2.gz NKCHAYPONBZIGS-HNNXBMFYSA-N 1 3 303.450 2.352 20 0 DEADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000262868766 186316296 /nfs/dbraw/zinc/31/62/96/186316296.db2.gz UUPJTYXVTSRARN-RHSMWYFYSA-N 1 3 301.434 2.010 20 0 DEADHO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCCN1C1CC1 ZINC000280065160 215349602 /nfs/dbraw/zinc/34/96/02/215349602.db2.gz BKGKVIBLQSJYHQ-YJBOKZPZSA-N 1 3 315.461 2.250 20 0 DEADHO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCCN1C1CC1 ZINC000280065160 215349603 /nfs/dbraw/zinc/34/96/03/215349603.db2.gz BKGKVIBLQSJYHQ-YJBOKZPZSA-N 1 3 315.461 2.250 20 0 DEADHO CCN(CCn1ccccc1=O)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062177 366031778 /nfs/dbraw/zinc/03/17/78/366031778.db2.gz KGAOJEDLVRDIKM-UHFFFAOYSA-N 1 3 313.445 2.432 20 0 DEADHO C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H](N)c1ccccc1 ZINC000322615563 539902797 /nfs/dbraw/zinc/90/27/97/539902797.db2.gz PXPMPZJNJGSOFB-CJFPBWAHSA-N 1 3 301.434 2.064 20 0 DEADHO C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H](N)c1ccccc1 ZINC000322615563 539902802 /nfs/dbraw/zinc/90/28/02/539902802.db2.gz PXPMPZJNJGSOFB-CJFPBWAHSA-N 1 3 301.434 2.064 20 0 DEADHO C[C@H]([NH3+])C1CCN([C@@H](C)C(=O)N2CCc3sccc3C2)CC1 ZINC000430936337 237532938 /nfs/dbraw/zinc/53/29/38/237532938.db2.gz UIVJBABWKHKXRH-STQMWFEESA-N 1 3 321.490 2.081 20 0 DEADHO FC(F)(F)[C@@H](CN[C@H]1CCc2ccccc21)N1CC[NH2+]CC1 ZINC000423392317 282910596 /nfs/dbraw/zinc/91/05/96/282910596.db2.gz QBYKMKRMTATZSB-LSDHHAIUSA-N 1 3 313.367 2.100 20 0 DEADHO CC(C)N1CCCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000069728404 354875192 /nfs/dbraw/zinc/87/51/92/354875192.db2.gz FKJFUYWVFBQKMT-UHFFFAOYSA-N 1 3 324.513 2.377 20 0 DEADHO CN1CC[C@@H]2CCN(C(=O)NCC[NH2+]C3CCCCCC3)[C@@H]2C1 ZINC000418457138 283066872 /nfs/dbraw/zinc/06/68/72/283066872.db2.gz GORWNNUTBMWLMV-NVXWUHKLSA-N 1 3 322.497 2.034 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000077837813 355232754 /nfs/dbraw/zinc/23/27/54/355232754.db2.gz CVINZWIQHXUPED-DLBZAZTESA-N 1 3 322.497 2.131 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000077837813 355232756 /nfs/dbraw/zinc/23/27/56/355232756.db2.gz CVINZWIQHXUPED-DLBZAZTESA-N 1 3 322.497 2.131 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000382715749 540123966 /nfs/dbraw/zinc/12/39/66/540123966.db2.gz CLZJWAWJUZVPAC-NJAFHUGGSA-N 1 3 315.461 2.237 20 0 DEADHO C[NH+](C)CCC1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000079492499 355312579 /nfs/dbraw/zinc/31/25/79/355312579.db2.gz LDUDIQWVWPDIRH-KRWDZBQOSA-N 1 3 306.450 2.090 20 0 DEADHO C[C@@H](NC(C)(C)CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000449347217 540187403 /nfs/dbraw/zinc/18/74/03/540187403.db2.gz PSBAFVRITJWSNW-BMFZPTHFSA-N 1 3 303.450 2.359 20 0 DEADHO CN(CCCO)C1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000093413029 355682336 /nfs/dbraw/zinc/68/23/36/355682336.db2.gz YNBRYDWGERMMTQ-UHFFFAOYSA-N 1 3 301.434 2.447 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000155535886 355948274 /nfs/dbraw/zinc/94/82/74/355948274.db2.gz IMBNRBINWIDCOS-UHFFFAOYSA-N 1 3 324.428 2.106 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H](C)N(C)Cc1ccccc1)[C@@H](C)[NH3+] ZINC000399387841 283151930 /nfs/dbraw/zinc/15/19/30/283151930.db2.gz REJCLVXLMCBYGN-INMHGKMJSA-N 1 3 305.466 2.243 20 0 DEADHO [NH3+][C@H](CCC(=O)N1CC[C@H](N2CCCC2)C1)c1ccccc1 ZINC000237910533 356301392 /nfs/dbraw/zinc/30/13/92/356301392.db2.gz MKQSDDGRXIUPQX-DLBZAZTESA-N 1 3 301.434 2.163 20 0 DEADHO O[C@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)COc1ccccc1Cl ZINC000314551622 356417798 /nfs/dbraw/zinc/41/77/98/356417798.db2.gz KOPFYTLPBBABAJ-DZGCQCFKSA-N 1 3 324.852 2.154 20 0 DEADHO O[C@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)COc1ccccc1Cl ZINC000314551622 356417801 /nfs/dbraw/zinc/41/78/01/356417801.db2.gz KOPFYTLPBBABAJ-DZGCQCFKSA-N 1 3 324.852 2.154 20 0 DEADHO O[C@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)COc1ccccc1Cl ZINC000314551622 356417803 /nfs/dbraw/zinc/41/78/03/356417803.db2.gz KOPFYTLPBBABAJ-DZGCQCFKSA-N 1 3 324.852 2.154 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](N)CC(C)C)Cc1ccccc1 ZINC000236827073 202028423 /nfs/dbraw/zinc/02/84/23/202028423.db2.gz DVHGBDNBYFKYGR-MSOLQXFVSA-N 1 3 319.493 2.429 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCCN1)Cc1ccccc1 ZINC000236834975 202030781 /nfs/dbraw/zinc/03/07/81/202030781.db2.gz YFMXWGKMEJXJDG-QZTJIDSGSA-N 1 3 317.477 2.198 20 0 DEADHO CCC[C@H]([NH3+])C(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000236874825 202045593 /nfs/dbraw/zinc/04/55/93/202045593.db2.gz XMJCDPCZIFHJIP-IRXDYDNUSA-N 1 3 319.449 2.076 20 0 DEADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000423765413 283196553 /nfs/dbraw/zinc/19/65/53/283196553.db2.gz UMGJLUYLACSYRB-NVXWUHKLSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000384329348 356682548 /nfs/dbraw/zinc/68/25/48/356682548.db2.gz YMNYWEZBCVDHOG-QAPCUYQASA-N 1 3 315.461 2.155 20 0 DEADHO CN(CCNC(=O)CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000386747051 356697733 /nfs/dbraw/zinc/69/77/33/356697733.db2.gz FOUGHCVQWAHOLN-INIZCTEOSA-N 1 3 303.450 2.014 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000174680793 283212455 /nfs/dbraw/zinc/21/24/55/283212455.db2.gz QDABTODYEIWXGN-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO CN(C)[C@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000237192558 202182888 /nfs/dbraw/zinc/18/28/88/202182888.db2.gz GFLPTTFCOQRSSL-QZTJIDSGSA-N 1 3 311.429 2.496 20 0 DEADHO CN(C)CCOc1ccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000237198674 202186303 /nfs/dbraw/zinc/18/63/03/202186303.db2.gz JQENERDEBHWGJY-UONOGXRCSA-N 1 3 305.422 2.083 20 0 DEADHO CCCN(CC[NH+](CC)CC)C(=O)NC1CCN(CC)CC1 ZINC000133224779 283232990 /nfs/dbraw/zinc/23/29/90/283232990.db2.gz DUIMQDCFOBXZFM-UHFFFAOYSA-N 1 3 312.502 2.234 20 0 DEADHO N[C@H]1Cc2ccccc2N(C(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000581365007 357174431 /nfs/dbraw/zinc/17/44/31/357174431.db2.gz ZMSQBKHZHNMGME-DLBZAZTESA-N 1 3 309.413 2.383 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000418667683 283246085 /nfs/dbraw/zinc/24/60/85/283246085.db2.gz FRJXVAUOAGJLMT-INIZCTEOSA-N 1 3 312.502 2.411 20 0 DEADHO CCCN1CCN(c2ccccc2CN2CC[C@@H]([NH2+]C)C2)CC1 ZINC000435391598 283261594 /nfs/dbraw/zinc/26/15/94/283261594.db2.gz XDCYFCMGNUTVJF-GOSISDBHSA-N 1 3 316.493 2.012 20 0 DEADHO CC(C)=C[C@@H]1[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)C1(C)C ZINC000590817397 357619915 /nfs/dbraw/zinc/61/99/15/357619915.db2.gz CGEAHGVOSSBNHW-CVEARBPZSA-N 1 3 309.498 2.177 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)N1CCCCC1 ZINC000591162628 357683391 /nfs/dbraw/zinc/68/33/91/357683391.db2.gz ZWMGZKKEEGWBHK-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+](C(C)C)C1)N1CCCCC1 ZINC000591162628 357683394 /nfs/dbraw/zinc/68/33/94/357683394.db2.gz ZWMGZKKEEGWBHK-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO Cc1ccc2oc(N3CCN(CC4CC[NH2+]CC4)CC3)nc2c1 ZINC000178980556 198963627 /nfs/dbraw/zinc/96/36/27/198963627.db2.gz HLXWPEPKNXLBMS-UHFFFAOYSA-N 1 3 314.433 2.258 20 0 DEADHO C[N@H+](CCNC(=O)NC[C@@H]1CCN1C(C)(C)C)C1CCCC1 ZINC000660592310 540308979 /nfs/dbraw/zinc/30/89/79/540308979.db2.gz QLPYTBSNNMKYPE-HNNXBMFYSA-N 1 3 310.486 2.033 20 0 DEADHO C[N@@H+](CCNC(=O)NC[C@@H]1CCN1C(C)(C)C)C1CCCC1 ZINC000660592310 540308982 /nfs/dbraw/zinc/30/89/82/540308982.db2.gz QLPYTBSNNMKYPE-HNNXBMFYSA-N 1 3 310.486 2.033 20 0 DEADHO COC(=O)c1coc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000592433623 357876182 /nfs/dbraw/zinc/87/61/82/357876182.db2.gz MLIQGDUYKLUWEB-UONOGXRCSA-N 1 3 306.406 2.278 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCN2C(C)(C)C)CC1 ZINC000661397137 540318945 /nfs/dbraw/zinc/31/89/45/540318945.db2.gz CBHKMPJXQBORDG-INIZCTEOSA-N 1 3 324.513 2.423 20 0 DEADHO CC(C)(C)CC[N@@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663510525 540339503 /nfs/dbraw/zinc/33/95/03/540339503.db2.gz GFJZJESTDZKIDT-OAHLLOKOSA-N 1 3 319.497 2.435 20 0 DEADHO CC(C)(C)CC[N@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663510525 540339505 /nfs/dbraw/zinc/33/95/05/540339505.db2.gz GFJZJESTDZKIDT-OAHLLOKOSA-N 1 3 319.497 2.435 20 0 DEADHO COc1cc2c(cc1CN[C@@H]1CC13CC[NH2+]CC3)O[C@H](C)C2 ZINC000666952034 540368977 /nfs/dbraw/zinc/36/89/77/540368977.db2.gz CLARDAMUPGIACE-SJKOYZFVSA-N 1 3 302.418 2.250 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1CC(C)(C)C1 ZINC000667315717 540434188 /nfs/dbraw/zinc/43/41/88/540434188.db2.gz GRMBXZPKGWZFPM-MRXNPFEDSA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1CC(C)(C)C1 ZINC000667315717 540434189 /nfs/dbraw/zinc/43/41/89/540434189.db2.gz GRMBXZPKGWZFPM-MRXNPFEDSA-N 1 3 324.513 2.233 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCC[C@@H]4C[C@@H]43)CC2)CC1 ZINC000667641974 540494762 /nfs/dbraw/zinc/49/47/62/540494762.db2.gz KMCUNAQOOZHOCU-OLMNPRSZSA-N 1 3 319.493 2.097 20 0 DEADHO CNCc1ccccc1NC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000667764460 540522111 /nfs/dbraw/zinc/52/21/11/540522111.db2.gz HLQDBXIWIHWRAO-HNNXBMFYSA-N 1 3 304.438 2.400 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1nccn1C(C)C ZINC000668160245 540601028 /nfs/dbraw/zinc/60/10/28/540601028.db2.gz WWYIODCYZDBOJH-QGZVFWFLSA-N 1 3 321.513 2.312 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1nccn1C(C)C ZINC000668160245 540601033 /nfs/dbraw/zinc/60/10/33/540601033.db2.gz WWYIODCYZDBOJH-QGZVFWFLSA-N 1 3 321.513 2.312 20 0 DEADHO COC(=O)COc1ccc(C[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000600188979 359680932 /nfs/dbraw/zinc/68/09/32/359680932.db2.gz GCSJQRKNTZWXGF-MRXNPFEDSA-N 1 3 320.433 2.060 20 0 DEADHO CN1CCC[C@H](NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000668330422 540649497 /nfs/dbraw/zinc/64/94/97/540649497.db2.gz RKVGLHONRACLDG-ROUUACIJSA-N 1 3 315.461 2.076 20 0 DEADHO C[C@H](CNC(=O)c1ccccc1CN(C)C)C[NH+]1CCCC1 ZINC000433312128 237574763 /nfs/dbraw/zinc/57/47/63/237574763.db2.gz KGYQUKJDQKKQSU-OAHLLOKOSA-N 1 3 303.450 2.210 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000237870616 202375517 /nfs/dbraw/zinc/37/55/17/202375517.db2.gz ZHSDFRSGHPWSRE-KURKYZTESA-N 1 3 315.461 2.457 20 0 DEADHO CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000601243068 359979044 /nfs/dbraw/zinc/97/90/44/359979044.db2.gz IABNHRCMAPSYEW-CVEARBPZSA-N 1 3 310.486 2.033 20 0 DEADHO CSC[C@H](O)C[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000601965867 360212272 /nfs/dbraw/zinc/21/22/72/360212272.db2.gz AWFCKFUSHAQFEZ-DJIMGWMZSA-N 1 3 308.491 2.068 20 0 DEADHO CSC[C@H](O)CNC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000601965867 360212277 /nfs/dbraw/zinc/21/22/77/360212277.db2.gz AWFCKFUSHAQFEZ-DJIMGWMZSA-N 1 3 308.491 2.068 20 0 DEADHO CSC[C@H](O)CNC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000601965867 360212281 /nfs/dbraw/zinc/21/22/81/360212281.db2.gz AWFCKFUSHAQFEZ-DJIMGWMZSA-N 1 3 308.491 2.068 20 0 DEADHO CCN(CC)[C@H](CNC(=O)NCC[NH2+]C1CC1)c1ccccc1 ZINC000668661130 540705833 /nfs/dbraw/zinc/70/58/33/540705833.db2.gz NQYJFDFLXPXOMK-QGZVFWFLSA-N 1 3 318.465 2.121 20 0 DEADHO C[C@H]1C[N@H+](Cc2ccc(OCCN(C)C)cc2)C[C@]1(C)CO ZINC000668738092 540720666 /nfs/dbraw/zinc/72/06/66/540720666.db2.gz FRBPKILLIGABOS-MAUKXSAKSA-N 1 3 306.450 2.077 20 0 DEADHO C[C@H]1C[N@@H+](Cc2ccc(OCCN(C)C)cc2)C[C@]1(C)CO ZINC000668738092 540720669 /nfs/dbraw/zinc/72/06/69/540720669.db2.gz FRBPKILLIGABOS-MAUKXSAKSA-N 1 3 306.450 2.077 20 0 DEADHO c1cc(CN2CCCCC2)cc(-c2noc(CC3C[NH2+]C3)n2)c1 ZINC000442752810 238070084 /nfs/dbraw/zinc/07/00/84/238070084.db2.gz SRFQNFMYECCFEP-UHFFFAOYSA-N 1 3 312.417 2.484 20 0 DEADHO C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CCC[C@H](CC[NH3+])C1 ZINC000443061163 238101062 /nfs/dbraw/zinc/10/10/62/238101062.db2.gz RALKLNAQFTXWIR-UKRRQHHQSA-N 1 3 323.868 2.406 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)N2CCC(C)([NH3+])CC2)N(C)C)cc1 ZINC000669418903 540829439 /nfs/dbraw/zinc/82/94/39/540829439.db2.gz BOFVBQRXERIBQT-MRXNPFEDSA-N 1 3 318.465 2.121 20 0 DEADHO CC[C@@H]1CN(C(=O)NCc2cccc(CN(C)C)c2)CC[C@H]1[NH3+] ZINC000669386818 540823664 /nfs/dbraw/zinc/82/36/64/540823664.db2.gz XYQYUKOUWHEPOW-IAGOWNOFSA-N 1 3 318.465 2.017 20 0 DEADHO C[C@H](CNC(=O)N1CCC(C)([NH3+])CC1)N(C)Cc1ccccc1 ZINC000669474153 540840229 /nfs/dbraw/zinc/84/02/29/540840229.db2.gz HVFYBFTYRSUHFV-OAHLLOKOSA-N 1 3 318.465 2.030 20 0 DEADHO CC[C@@H]1CN(C(=O)NCCN2CCCC[C@H]2CC)CC[C@H]1[NH3+] ZINC000669489824 540843035 /nfs/dbraw/zinc/84/30/35/540843035.db2.gz LGJDZUSSMNFOCW-BZUAXINKSA-N 1 3 310.486 2.020 20 0 DEADHO C[C@@H](NC(=O)N[C@H](CN1CCCCC1)c1ccccc1)[C@H](C)[NH3+] ZINC000669483535 540841817 /nfs/dbraw/zinc/84/18/17/540841817.db2.gz AQLVAQBWFPTRGH-ZMSDIMECSA-N 1 3 318.465 2.249 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669484042 540841935 /nfs/dbraw/zinc/84/19/35/540841935.db2.gz ZWZOGVYYMLHOQI-IRXDYDNUSA-N 1 3 318.465 2.250 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000604748801 360929924 /nfs/dbraw/zinc/92/99/24/360929924.db2.gz YUTCLZAWASTANW-DOTOQJQBSA-N 1 3 315.461 2.280 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000604748801 360929930 /nfs/dbraw/zinc/92/99/30/360929930.db2.gz YUTCLZAWASTANW-DOTOQJQBSA-N 1 3 315.461 2.280 20 0 DEADHO Cc1ccncc1[C@@H](C)[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000669692311 540880395 /nfs/dbraw/zinc/88/03/95/540880395.db2.gz QWRINJAPLLALAH-QGZVFWFLSA-N 1 3 304.482 2.457 20 0 DEADHO COc1cccc2c1OC[C@H](N[C@@H]1CC[N@H+](C)[C@H]3CCC[C@@H]31)C2 ZINC000671745844 541006863 /nfs/dbraw/zinc/00/68/63/541006863.db2.gz MJBYKYDPABYWNT-VQHPVUNQSA-N 1 3 316.445 2.461 20 0 DEADHO COc1cccc2c1OC[C@H](N[C@@H]1CC[N@@H+](C)[C@H]3CCC[C@@H]31)C2 ZINC000671745844 541006866 /nfs/dbraw/zinc/00/68/66/541006866.db2.gz MJBYKYDPABYWNT-VQHPVUNQSA-N 1 3 316.445 2.461 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000193477540 201059161 /nfs/dbraw/zinc/05/91/61/201059161.db2.gz VNSUEVFZLBIAFC-YOEHRIQHSA-N 1 3 301.434 2.153 20 0 DEADHO CC(C)[NH+]1CCC(O)(CNCc2ccc3cc[nH]c3c2)CC1 ZINC000527678574 283689015 /nfs/dbraw/zinc/68/90/15/283689015.db2.gz UPCICKDHTFRJPN-UHFFFAOYSA-N 1 3 301.434 2.493 20 0 DEADHO COCOc1ccc(OC)cc1CNCC1=CC[N@H+](C)CC1 ZINC000271847048 209264558 /nfs/dbraw/zinc/26/45/58/209264558.db2.gz SDNBPJZSVRURSE-UHFFFAOYSA-N 1 3 306.406 2.029 20 0 DEADHO COCOc1ccc(OC)cc1CNCC1=CC[N@@H+](C)CC1 ZINC000271847048 209264562 /nfs/dbraw/zinc/26/45/62/209264562.db2.gz SDNBPJZSVRURSE-UHFFFAOYSA-N 1 3 306.406 2.029 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000621103442 364254616 /nfs/dbraw/zinc/25/46/16/364254616.db2.gz CAWGFGBFXLYDJE-SJORKVTESA-N 1 3 307.482 2.099 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000621103442 364254620 /nfs/dbraw/zinc/25/46/20/364254620.db2.gz CAWGFGBFXLYDJE-SJORKVTESA-N 1 3 307.482 2.099 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)N(CC)CC ZINC000621105828 364257180 /nfs/dbraw/zinc/25/71/80/364257180.db2.gz YVWWOCUIEZJZIL-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)N(CC)CC ZINC000621105828 364257187 /nfs/dbraw/zinc/25/71/87/364257187.db2.gz YVWWOCUIEZJZIL-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H]1[C@H](NC(=O)NCC[N@H+](C)C2CCCCC2)CCCN1C ZINC000345369790 291308539 /nfs/dbraw/zinc/30/85/39/291308539.db2.gz YXVCKEDDWUEKMP-GOEBONIOSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H]1[C@H](NC(=O)NCC[N@@H+](C)C2CCCCC2)CCCN1C ZINC000345369790 291308540 /nfs/dbraw/zinc/30/85/40/291308540.db2.gz YXVCKEDDWUEKMP-GOEBONIOSA-N 1 3 310.486 2.033 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000622092956 364660330 /nfs/dbraw/zinc/66/03/30/364660330.db2.gz PDHBGSCJSZGFOC-CVEARBPZSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000622092956 364660334 /nfs/dbraw/zinc/66/03/34/364660334.db2.gz PDHBGSCJSZGFOC-CVEARBPZSA-N 1 3 322.497 2.129 20 0 DEADHO CN(C)Cc1cccc(NC(=O)NCCC[C@@H]2CCC[NH2+]2)c1 ZINC000623056351 364869619 /nfs/dbraw/zinc/86/96/19/364869619.db2.gz XKXGGCQNSIQWLG-HNNXBMFYSA-N 1 3 304.438 2.402 20 0 DEADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000623058118 364870656 /nfs/dbraw/zinc/87/06/56/364870656.db2.gz QXKITOCYEZBYCB-UKRRQHHQSA-N 1 3 304.438 2.339 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000623057501 364870958 /nfs/dbraw/zinc/87/09/58/364870958.db2.gz WDKTVCXVOFZPCU-UHFFFAOYSA-N 1 3 304.438 2.341 20 0 DEADHO CCOC[C@H](O)CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449160616 240145012 /nfs/dbraw/zinc/14/50/12/240145012.db2.gz CBJBHHQWWDOMFX-QFBILLFUSA-N 1 3 320.477 2.069 20 0 DEADHO C[C@@H](NC(=O)NCC(C)(C)C[NH+]1CCCC1)C1=CCN(C)CC1 ZINC000358755251 296076728 /nfs/dbraw/zinc/07/67/28/296076728.db2.gz NWJXFNMSNQGNTH-OAHLLOKOSA-N 1 3 322.497 2.058 20 0 DEADHO CN1CCCC[C@@H](C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)C1 ZINC000623656255 365118848 /nfs/dbraw/zinc/11/88/48/365118848.db2.gz QFSYQZGOWPPZFV-HNNXBMFYSA-N 1 3 319.449 2.206 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CCCC[N@H+](C)C1)N1CCCCC1 ZINC000628744294 366947280 /nfs/dbraw/zinc/94/72/80/366947280.db2.gz FFPXYHYDOWLVMJ-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CCCC[N@@H+](C)C1)N1CCCCC1 ZINC000628744294 366947288 /nfs/dbraw/zinc/94/72/88/366947288.db2.gz FFPXYHYDOWLVMJ-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](C[NH2+]C[C@@H](O)CN1CCCC1)Oc1cccc(Cl)c1 ZINC000629563615 367253511 /nfs/dbraw/zinc/25/35/11/367253511.db2.gz HLEDNDMYBYBEOB-DZGCQCFKSA-N 1 3 312.841 2.154 20 0 DEADHO [NH3+]CCCOC1CCN(CC2=Cc3ccccc3OC2)CC1 ZINC000629651457 367285782 /nfs/dbraw/zinc/28/57/82/367285782.db2.gz GUZBLEDMJZNNFF-UHFFFAOYSA-N 1 3 302.418 2.292 20 0 DEADHO COCc1ccc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)o1 ZINC000629648195 367286099 /nfs/dbraw/zinc/28/60/99/367286099.db2.gz HAHMIAVMQMJUMN-YOEHRIQHSA-N 1 3 308.422 2.144 20 0 DEADHO COCc1ccc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)o1 ZINC000629650201 367286295 /nfs/dbraw/zinc/28/62/95/367286295.db2.gz QOWHGOVJJBNVAO-JJRVBVJISA-N 1 3 308.422 2.144 20 0 DEADHO CN(CCOCC[NH3+])Cc1ccc(OC(F)F)c(Cl)c1 ZINC000629665650 367293101 /nfs/dbraw/zinc/29/31/01/367293101.db2.gz XZSADTUJAZJMLH-UHFFFAOYSA-N 1 3 308.756 2.349 20 0 DEADHO CN(C)CCOc1cccc(-c2cnn(C3CC[NH2+]CC3)c2)c1 ZINC000629700844 367307774 /nfs/dbraw/zinc/30/77/74/367307774.db2.gz PQSJVUCQLUBJPG-UHFFFAOYSA-N 1 3 314.433 2.415 20 0 DEADHO CC[C@@H](C)[NH2+][C@@H](CNC(=O)CN(C)C1CCC1)c1ccco1 ZINC000629991953 367425474 /nfs/dbraw/zinc/42/54/74/367425474.db2.gz IXTDEAIMFWNGEC-HIFRSBDPSA-N 1 3 307.438 2.309 20 0 DEADHO O=C([C@H]1CCCCN1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000237995668 296102916 /nfs/dbraw/zinc/10/29/16/296102916.db2.gz YICSMJJRJJVDIT-IAGOWNOFSA-N 1 3 307.482 2.243 20 0 DEADHO CC(C)[C@H]([NH2+]C1CCN(CC2CC2)CC1)[C@H](O)C(F)(F)F ZINC000631715441 368355939 /nfs/dbraw/zinc/35/59/39/368355939.db2.gz RFUWOXRFFHMDBQ-KBPBESRZSA-N 1 3 308.388 2.398 20 0 DEADHO CCN(CC(F)(F)F)C(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000631829727 368407287 /nfs/dbraw/zinc/40/72/87/368407287.db2.gz XYBGURPEQRAFDB-CHWSQXEVSA-N 1 3 323.403 2.237 20 0 DEADHO Cc1nccn1CCCCN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000678074188 541673861 /nfs/dbraw/zinc/67/38/61/541673861.db2.gz UXTKURJVYNZWMT-GOSISDBHSA-N 1 3 320.481 2.158 20 0 DEADHO Cc1nccn1CCCCN1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000678074188 541673865 /nfs/dbraw/zinc/67/38/65/541673865.db2.gz UXTKURJVYNZWMT-GOSISDBHSA-N 1 3 320.481 2.158 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccccc2-n2cncn2)[C@H](C)C1 ZINC000678278081 541705447 /nfs/dbraw/zinc/70/54/47/541705447.db2.gz SYTIOBMYQVQWPT-WBVHZDCISA-N 1 3 313.449 2.429 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)Cc2ccccc2-n2cncn2)[C@H](C)C1 ZINC000678278081 541705449 /nfs/dbraw/zinc/70/54/49/541705449.db2.gz SYTIOBMYQVQWPT-WBVHZDCISA-N 1 3 313.449 2.429 20 0 DEADHO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000261532961 203075196 /nfs/dbraw/zinc/07/51/96/203075196.db2.gz ASIZQAIIMLPWDE-FGTMMUONSA-N 1 3 315.461 2.285 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(C)nc2C)CC1 ZINC000678412220 541725677 /nfs/dbraw/zinc/72/56/77/541725677.db2.gz TXDZIWVYNYNFDG-CVEARBPZSA-N 1 3 304.482 2.375 20 0 DEADHO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)C1CCN(C)CC1 ZINC000678583228 541747214 /nfs/dbraw/zinc/74/72/14/541747214.db2.gz YCAXRBQVSPBAGY-CRAIPNDOSA-N 1 3 315.461 2.107 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)N(C)C)cc1 ZINC000262275796 203247127 /nfs/dbraw/zinc/24/71/27/203247127.db2.gz JKDRXNKYGOMZAT-IKGGRYGDSA-N 1 3 303.450 2.231 20 0 DEADHO COCC1(C(=O)Nc2cc(CN(C)C)ccc2C)CC[NH2+]CC1 ZINC000262333752 203265648 /nfs/dbraw/zinc/26/56/48/203265648.db2.gz FSAYTRGCROEUBB-UHFFFAOYSA-N 1 3 319.449 2.011 20 0 DEADHO C[N@@H+]1CCCN(CCCNCc2nc3c(s2)CCCC3)CC1 ZINC000678954871 541788529 /nfs/dbraw/zinc/78/85/29/541788529.db2.gz WPVUCVGSCPPTEQ-UHFFFAOYSA-N 1 3 322.522 2.139 20 0 DEADHO C[N@H+]1CCCN(CCCNCc2nc3c(s2)CCCC3)CC1 ZINC000678954871 541788532 /nfs/dbraw/zinc/78/85/32/541788532.db2.gz WPVUCVGSCPPTEQ-UHFFFAOYSA-N 1 3 322.522 2.139 20 0 DEADHO CN1CCC[C@@H](N2CCC(C[NH+]3CCCCCC3)CC2)C1=O ZINC000679310705 541835847 /nfs/dbraw/zinc/83/58/47/541835847.db2.gz BBKLQXJMPHJPSS-QGZVFWFLSA-N 1 3 307.482 2.195 20 0 DEADHO Oc1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000679394298 541849627 /nfs/dbraw/zinc/84/96/27/541849627.db2.gz LEZMRJJPKJJISR-MSOLQXFVSA-N 1 3 304.434 2.250 20 0 DEADHO CN(C(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCN(C)C1 ZINC000266089156 205087652 /nfs/dbraw/zinc/08/76/52/205087652.db2.gz HSPCPVAEWOYQGD-GOSISDBHSA-N 1 3 315.461 2.449 20 0 DEADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCC12CC(C1)CO2 ZINC000530218006 284375933 /nfs/dbraw/zinc/37/59/33/284375933.db2.gz DCSVPLAYLDNWIE-LVMNEVGRSA-N 1 3 300.402 2.011 20 0 DEADHO CN(C)C1(CN(C)C(=O)NCCCCC[NH+]2CCCC2)CCC1 ZINC000455032402 246342714 /nfs/dbraw/zinc/34/27/14/246342714.db2.gz JFBSRMNUDHNOFF-UHFFFAOYSA-N 1 3 324.513 2.378 20 0 DEADHO C[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000681081941 542093724 /nfs/dbraw/zinc/09/37/24/542093724.db2.gz JAVGUUQBMYQHHA-DOTOQJQBSA-N 1 3 306.450 2.220 20 0 DEADHO C[C@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000681081941 542093726 /nfs/dbraw/zinc/09/37/26/542093726.db2.gz JAVGUUQBMYQHHA-DOTOQJQBSA-N 1 3 306.450 2.220 20 0 DEADHO Cc1cc(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)ccc1OCCN(C)C ZINC000458192761 248195113 /nfs/dbraw/zinc/19/51/13/248195113.db2.gz BXCLJGAEVXZJFT-GDBMZVCRSA-N 1 3 319.449 2.072 20 0 DEADHO Cc1cc(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)ccc1OCCN(C)C ZINC000458192761 248195117 /nfs/dbraw/zinc/19/51/17/248195117.db2.gz BXCLJGAEVXZJFT-GDBMZVCRSA-N 1 3 319.449 2.072 20 0 DEADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@H](C)N(C)C)c1ccccc1 ZINC000458374387 248281735 /nfs/dbraw/zinc/28/17/35/248281735.db2.gz OKQFZBKIPCONEZ-LSDHHAIUSA-N 1 3 320.481 2.365 20 0 DEADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+]C/C=C\c2ccncc2)CC1 ZINC000487264077 248753119 /nfs/dbraw/zinc/75/31/19/248753119.db2.gz GBLPFZHALDXYEC-IFEVLTCRSA-N 1 3 315.461 2.452 20 0 DEADHO C[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)C1CCSCC1 ZINC000681738836 542198310 /nfs/dbraw/zinc/19/83/10/542198310.db2.gz OHFISQWCKHVJOG-ZBFHGGJFSA-N 1 3 311.539 2.276 20 0 DEADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc(OC(F)F)c1 ZINC000269061622 207211578 /nfs/dbraw/zinc/21/15/78/207211578.db2.gz UIODSSPONOVKHP-LBPRGKRZSA-N 1 3 314.376 2.395 20 0 DEADHO CCN(CC)CC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063811304 184289221 /nfs/dbraw/zinc/28/92/21/184289221.db2.gz NSDHQDBREIFLPO-UHFFFAOYSA-N 1 3 317.477 2.357 20 0 DEADHO C[C@H]1CN(C(=O)c2oc3ccccc3c2CN(C)C)CC[C@H]1[NH3+] ZINC000269219418 207339045 /nfs/dbraw/zinc/33/90/45/207339045.db2.gz QWLLKUVVRFEQFI-SWLSCSKDSA-N 1 3 315.417 2.304 20 0 DEADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000682661743 542336617 /nfs/dbraw/zinc/33/66/17/542336617.db2.gz MEAMCCOKTOQWLW-QGZVFWFLSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]C/C=C/c1ccccc1 ZINC001368654947 1148554408 /nfs/dbraw/zinc/55/44/08/1148554408.db2.gz JGBLZIJLHFGBEC-BCCPEAIHSA-N 1 3 324.428 2.102 20 0 DEADHO CCN1CCC([NH2+][C@@H]2CNCC[C@H]2c2ccc(OC)cc2)CC1 ZINC000423327877 285192037 /nfs/dbraw/zinc/19/20/37/285192037.db2.gz KMDUIASVOWSHTJ-RBUKOAKNSA-N 1 3 317.477 2.215 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H](Cc1ccccc1)[NH+](CC)CC ZINC000155635282 197073616 /nfs/dbraw/zinc/07/36/16/197073616.db2.gz SNBDIHWSSXAJHW-JQHSSLGASA-N 1 3 319.493 2.429 20 0 DEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(CN(C)C)cc1 ZINC000120664395 195212361 /nfs/dbraw/zinc/21/23/61/195212361.db2.gz NPIDJHUIYNMQJC-PBHICJAKSA-N 1 3 303.450 2.160 20 0 DEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(CN(C)C)cc1 ZINC000120664395 195212363 /nfs/dbraw/zinc/21/23/63/195212363.db2.gz NPIDJHUIYNMQJC-PBHICJAKSA-N 1 3 303.450 2.160 20 0 DEADHO C[C@H](NCCOC[C@H]1CCCO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543458455 285289298 /nfs/dbraw/zinc/28/92/98/285289298.db2.gz DMRMGBCBWRQVQD-XYJFISCASA-N 1 3 310.482 2.425 20 0 DEADHO C[C@H](NCCOC[C@H]1CCCO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543458455 285289300 /nfs/dbraw/zinc/28/93/00/285289300.db2.gz DMRMGBCBWRQVQD-XYJFISCASA-N 1 3 310.482 2.425 20 0 DEADHO C[C@H]([NH2+]CCOC[C@H]1CCCO1)[C@H]1CCCN(C2CCC2)C1 ZINC000543458455 285289303 /nfs/dbraw/zinc/28/93/03/285289303.db2.gz DMRMGBCBWRQVQD-XYJFISCASA-N 1 3 310.482 2.425 20 0 DEADHO Cc1ccc(C(=O)NCCN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000120915803 195263800 /nfs/dbraw/zinc/26/38/00/195263800.db2.gz ZMYYRYWEAZRNNR-ZMSDIMECSA-N 1 3 303.450 2.043 20 0 DEADHO Cc1ccc(C(=O)NCCN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000120915803 195263802 /nfs/dbraw/zinc/26/38/02/195263802.db2.gz ZMYYRYWEAZRNNR-ZMSDIMECSA-N 1 3 303.450 2.043 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cncc(OC)c2)[C@H](C)C1 ZINC000289625439 221111240 /nfs/dbraw/zinc/11/12/40/221111240.db2.gz BHXKRLFTYDRNIH-CRAIPNDOSA-N 1 3 321.465 2.317 20 0 DEADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000684141504 542556715 /nfs/dbraw/zinc/55/67/15/542556715.db2.gz YOGVIGQERCMUEP-JKSUJKDBSA-N 1 3 324.513 2.279 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+](C)[C@H]2CCC[C@@H]2O)CC1 ZINC000348542108 285339316 /nfs/dbraw/zinc/33/93/16/285339316.db2.gz ASDRYJLCNYLKQD-OALUTQOASA-N 1 3 317.477 2.174 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+](C)[C@H]2CCC[C@@H]2O)CC1 ZINC000348542108 285339318 /nfs/dbraw/zinc/33/93/18/285339318.db2.gz ASDRYJLCNYLKQD-OALUTQOASA-N 1 3 317.477 2.174 20 0 DEADHO CCC[C@H]1CN(CC[NH+]2CCC(C)CC2)CCN1CCOC ZINC000121924354 195375200 /nfs/dbraw/zinc/37/52/00/195375200.db2.gz HTBCTZWOUMKFLV-SFHVURJKSA-N 1 3 311.514 2.151 20 0 DEADHO COc1ncccc1CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297476338 533256655 /nfs/dbraw/zinc/25/66/55/533256655.db2.gz RSUHKSSAYVKZBD-UHFFFAOYSA-N 1 3 312.417 2.286 20 0 DEADHO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N1CCC[C@H](CC[NH3+])C1 ZINC000443079424 533306255 /nfs/dbraw/zinc/30/62/55/533306255.db2.gz ZMLOTAQIAOHNPT-HMDCTGQHSA-N 1 3 309.498 2.377 20 0 DEADHO C[C@@H](NC(C)(C)CNC(=O)NCC[C@H](C)[NH3+])c1ccccc1 ZINC000417711494 533322913 /nfs/dbraw/zinc/32/29/13/533322913.db2.gz VWZCCADHJCSBDM-UONOGXRCSA-N 1 3 306.454 2.152 20 0 DEADHO C[C@@H](NC(C)(C)CNC(=O)NC[C@H]([NH3+])C1CC1)c1ccccc1 ZINC000417694891 533323550 /nfs/dbraw/zinc/32/35/50/533323550.db2.gz AFBMNSLTVVYFIS-CJNGLKHVSA-N 1 3 318.465 2.152 20 0 DEADHO C[C@@H](NCCc1cc(Br)ccc1F)C1C[NH2+]C1 ZINC000422701937 533403772 /nfs/dbraw/zinc/40/37/72/533403772.db2.gz JOXUYYVNMJQTEP-SECBINFHSA-N 1 3 301.203 2.328 20 0 DEADHO C[C@@H]([NH2+]CCc1cc(Br)ccc1F)C1CNC1 ZINC000422701937 533403775 /nfs/dbraw/zinc/40/37/75/533403775.db2.gz JOXUYYVNMJQTEP-SECBINFHSA-N 1 3 301.203 2.328 20 0 DEADHO Cc1ccc(CCC[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)cn1 ZINC000684380076 542596824 /nfs/dbraw/zinc/59/68/24/542596824.db2.gz ZBQMPOQADOFOCL-SFHVURJKSA-N 1 3 316.493 2.081 20 0 DEADHO CC(C)O[C@@H]1C[C@@H]([NH2+]CCCCN2CCN(C)CC2)C1(C)C ZINC000546614232 285504186 /nfs/dbraw/zinc/50/41/86/285504186.db2.gz LXWLJAJCFBWUCL-IAGOWNOFSA-N 1 3 311.514 2.196 20 0 DEADHO CN(Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@H](O)C1CC1 ZINC000685461162 542728079 /nfs/dbraw/zinc/72/80/79/542728079.db2.gz ICGFVHZZGQSPBZ-IBGZPJMESA-N 1 3 318.461 2.364 20 0 DEADHO COc1ccsc1CN(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457741 542726748 /nfs/dbraw/zinc/72/67/48/542726748.db2.gz LQHPDMSDGMMOFP-OAHLLOKOSA-N 1 3 323.506 2.357 20 0 DEADHO CC(C)[NH+](CCN(C)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)C(C)C ZINC000355943506 133056682 /nfs/dbraw/zinc/05/66/82/133056682.db2.gz MVZXBUXHGHFQKZ-JKSUJKDBSA-N 1 3 324.513 2.372 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000357920504 133109894 /nfs/dbraw/zinc/10/98/94/133109894.db2.gz OWGLGWPJYPPODK-GJZGRUSLSA-N 1 3 310.486 2.056 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000357920504 133109895 /nfs/dbraw/zinc/10/98/95/133109895.db2.gz OWGLGWPJYPPODK-GJZGRUSLSA-N 1 3 310.486 2.056 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H](C)CN1CCCCC1 ZINC000357996006 133114543 /nfs/dbraw/zinc/11/45/43/133114543.db2.gz WBXJSXQASNMRCW-HZPDHXFCSA-N 1 3 312.502 2.280 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H](C)CN1CCCCC1 ZINC000357996006 133114544 /nfs/dbraw/zinc/11/45/44/133114544.db2.gz WBXJSXQASNMRCW-HZPDHXFCSA-N 1 3 312.502 2.280 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN(C)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000358207200 133128577 /nfs/dbraw/zinc/12/85/77/133128577.db2.gz LBNXNVRGLFKQON-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO Cc1ccc(NC(=[NH2+])NC[C@H]2CN3CCC[C@H]3CO2)cc1C ZINC000360570927 133191048 /nfs/dbraw/zinc/19/10/48/133191048.db2.gz AYFKKTQHPPZEOO-HOTGVXAUSA-N 1 3 302.422 2.103 20 0 DEADHO CC[N@H+](CCNC(=O)N1CCN(C2CCCCC2)CC1)C(C)C ZINC000362402991 133228129 /nfs/dbraw/zinc/22/81/29/133228129.db2.gz NZGDXCKMBMWJOQ-UHFFFAOYSA-N 1 3 324.513 2.377 20 0 DEADHO CC[N@@H+](CCNC(=O)N1CCN(C2CCCCC2)CC1)C(C)C ZINC000362402991 133228130 /nfs/dbraw/zinc/22/81/30/133228130.db2.gz NZGDXCKMBMWJOQ-UHFFFAOYSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000362491537 133233177 /nfs/dbraw/zinc/23/31/77/133233177.db2.gz YTMGSVTUDIZVEY-BPQIPLTHSA-N 1 3 315.461 2.137 20 0 DEADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000362491537 133233178 /nfs/dbraw/zinc/23/31/78/133233178.db2.gz YTMGSVTUDIZVEY-BPQIPLTHSA-N 1 3 315.461 2.137 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccccc1CN(C)C ZINC000362880461 133256987 /nfs/dbraw/zinc/25/69/87/133256987.db2.gz ZYZXSJJTNOZUST-MRXNPFEDSA-N 1 3 303.450 2.305 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccccc1CN(C)C ZINC000362880461 133256988 /nfs/dbraw/zinc/25/69/88/133256988.db2.gz ZYZXSJJTNOZUST-MRXNPFEDSA-N 1 3 303.450 2.305 20 0 DEADHO CC[NH2+][C@H](C)CNC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000418166675 285618367 /nfs/dbraw/zinc/61/83/67/285618367.db2.gz LHMNFDLRRHSQMO-BFHYXJOUSA-N 1 3 310.442 2.006 20 0 DEADHO C[C@H](CNC(=O)Nc1ccc2c(c1)CNCC2)C[NH+]1CCCC1 ZINC000563500570 292059850 /nfs/dbraw/zinc/05/98/50/292059850.db2.gz MKBFSNMXAYNFQG-CQSZACIVSA-N 1 3 316.449 2.186 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CNCc2ccccc21)[N@@H+]1CCCC[C@H]1C ZINC000563716550 292070762 /nfs/dbraw/zinc/07/07/62/292070762.db2.gz MLQRHRWWUSGQKQ-IIDMSEBBSA-N 1 3 315.461 2.253 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CNCc2ccccc21)[N@H+]1CCCC[C@H]1C ZINC000563716550 292070763 /nfs/dbraw/zinc/07/07/63/292070763.db2.gz MLQRHRWWUSGQKQ-IIDMSEBBSA-N 1 3 315.461 2.253 20 0 DEADHO CC(=O)N1C[C@@H]2CCC[C@H](N[C@@H]3C[C@@H]([NH3+])c4ccccc43)[C@@H]2C1 ZINC000564823712 292113103 /nfs/dbraw/zinc/11/31/03/292113103.db2.gz YRGQEHPNFIGQTI-QHWILLEASA-N 1 3 313.445 2.368 20 0 DEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H](C)N(C)C1CC1 ZINC000246508939 145104975 /nfs/dbraw/zinc/10/49/75/145104975.db2.gz UNNYQFYAVLQFTR-QXSJWSMHSA-N 1 3 324.513 2.135 20 0 DEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H](C)N(C)C1CC1 ZINC000246508939 145104977 /nfs/dbraw/zinc/10/49/77/145104977.db2.gz UNNYQFYAVLQFTR-QXSJWSMHSA-N 1 3 324.513 2.135 20 0 DEADHO CC[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1cnn(C)c1 ZINC000247113163 145126978 /nfs/dbraw/zinc/12/69/78/145126978.db2.gz UAWRLYAMTVJYBG-ZOBUZTSGSA-N 1 3 308.470 2.350 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000247210945 145128625 /nfs/dbraw/zinc/12/86/25/145128625.db2.gz NKUVIEDJSGVJNT-HLLBOEOZSA-N 1 3 303.450 2.278 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000247210945 145128627 /nfs/dbraw/zinc/12/86/27/145128627.db2.gz NKUVIEDJSGVJNT-HLLBOEOZSA-N 1 3 303.450 2.278 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H](O)COCc3cccs3)CC[C@@H]21 ZINC000247969282 145145597 /nfs/dbraw/zinc/14/55/97/145145597.db2.gz IUCWIRUYTHTKPN-INMHGKMJSA-N 1 3 324.490 2.042 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C[C@@H](O)COCc3cccs3)CC[C@@H]21 ZINC000247969282 145145598 /nfs/dbraw/zinc/14/55/98/145145598.db2.gz IUCWIRUYTHTKPN-INMHGKMJSA-N 1 3 324.490 2.042 20 0 DEADHO CN1CCC[C@@H]2C[N@H+](C[C@@H](O)COCc3cccs3)CC[C@@H]21 ZINC000247969282 145145600 /nfs/dbraw/zinc/14/56/00/145145600.db2.gz IUCWIRUYTHTKPN-INMHGKMJSA-N 1 3 324.490 2.042 20 0 DEADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H](O)COCc3cccs3)CC[C@@H]21 ZINC000247969282 145145601 /nfs/dbraw/zinc/14/56/01/145145601.db2.gz IUCWIRUYTHTKPN-INMHGKMJSA-N 1 3 324.490 2.042 20 0 DEADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccncc1 ZINC000248454127 145155460 /nfs/dbraw/zinc/15/54/60/145155460.db2.gz QXFYNGWICMUYMA-HNAYVOBHSA-N 1 3 311.429 2.499 20 0 DEADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccncc1 ZINC000248454127 145155461 /nfs/dbraw/zinc/15/54/61/145155461.db2.gz QXFYNGWICMUYMA-HNAYVOBHSA-N 1 3 311.429 2.499 20 0 DEADHO CN1CCC[C@@H]2C[N@H+](C[C@@H](O)CCc3ccccc3)CC[C@H]21 ZINC000248553714 145158822 /nfs/dbraw/zinc/15/88/22/145158822.db2.gz HOIXSPYGMNIOLF-CEXWTWQISA-N 1 3 302.462 2.396 20 0 DEADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H](O)CCc3ccccc3)CC[C@H]21 ZINC000248553714 145158823 /nfs/dbraw/zinc/15/88/23/145158823.db2.gz HOIXSPYGMNIOLF-CEXWTWQISA-N 1 3 302.462 2.396 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H](O)CCc3ccccc3)CC[C@H]21 ZINC000248553714 145158824 /nfs/dbraw/zinc/15/88/24/145158824.db2.gz HOIXSPYGMNIOLF-CEXWTWQISA-N 1 3 302.462 2.396 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C[C@@H](O)CCc3ccccc3)CC[C@H]21 ZINC000248553714 145158825 /nfs/dbraw/zinc/15/88/25/145158825.db2.gz HOIXSPYGMNIOLF-CEXWTWQISA-N 1 3 302.462 2.396 20 0 DEADHO CC[C@H](C)C[N@H+](C)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000249272708 145181356 /nfs/dbraw/zinc/18/13/56/145181356.db2.gz BSEOJHIRUNIZRH-DOTOQJQBSA-N 1 3 305.466 2.383 20 0 DEADHO CC[C@H](C)C[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000249272708 145181357 /nfs/dbraw/zinc/18/13/57/145181357.db2.gz BSEOJHIRUNIZRH-DOTOQJQBSA-N 1 3 305.466 2.383 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000261553200 145207047 /nfs/dbraw/zinc/20/70/47/145207047.db2.gz SHTOWLKMRGYJBP-WBVHZDCISA-N 1 3 315.461 2.013 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261638316 145212131 /nfs/dbraw/zinc/21/21/31/145212131.db2.gz FNFVGJKPWGUFEM-ONIAQPFYSA-N 1 3 315.461 2.060 20 0 DEADHO C[C@H](c1ccccc1)N(C)C(=O)CN1CCC([C@H](C)[NH3+])CC1 ZINC000261860083 145234416 /nfs/dbraw/zinc/23/44/16/145234416.db2.gz FSOUPCCJMBCJJW-LSDHHAIUSA-N 1 3 303.450 2.265 20 0 DEADHO COc1cc(OC)c(CN2CCC[C@@H](CC[NH3+])C2)c(OC)c1 ZINC000261971960 145248903 /nfs/dbraw/zinc/24/89/03/145248903.db2.gz QESKCLHEYBKMEV-ZDUSSCGKSA-N 1 3 308.422 2.273 20 0 DEADHO CCN1CCC[C@@H]1CN(C)C(=O)c1ccccc1CC[NH2+]C ZINC000262346655 145277693 /nfs/dbraw/zinc/27/76/93/145277693.db2.gz UWDVNDNUAMPLHL-MRXNPFEDSA-N 1 3 303.450 2.005 20 0 DEADHO CC(C)[C@@H](C[NH3+])C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000309918521 145350777 /nfs/dbraw/zinc/35/07/77/145350777.db2.gz PMGJTOISFVGSEK-GOSISDBHSA-N 1 3 317.477 2.340 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](N)CC(F)F)c1ccccc1 ZINC000319362698 145371464 /nfs/dbraw/zinc/37/14/64/145371464.db2.gz SPKGAJZEGOPGPY-KBPBESRZSA-N 1 3 313.392 2.168 20 0 DEADHO C[C@H](CC[NH+](C)C)NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000344690742 145912420 /nfs/dbraw/zinc/91/24/20/145912420.db2.gz GHOWCDGHOGLOKF-CQSZACIVSA-N 1 3 322.453 2.089 20 0 DEADHO COc1ccc(-c2n[nH]cc2CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000346853666 146153446 /nfs/dbraw/zinc/15/34/46/146153446.db2.gz MBGNHLMVWOVARQ-RRQGHBQHSA-N 1 3 312.417 2.254 20 0 DEADHO C[C@@H]1CN(CCc2ccccc2F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000346916322 146164751 /nfs/dbraw/zinc/16/47/51/146164751.db2.gz MJIMTDCFORLXPT-VQIMIIECSA-N 1 3 319.468 2.326 20 0 DEADHO C[C@@H]1C[N@H+](CCc2ccccc2F)CC[C@H]1N1CCN(C)CC1 ZINC000346916322 146164753 /nfs/dbraw/zinc/16/47/53/146164753.db2.gz MJIMTDCFORLXPT-VQIMIIECSA-N 1 3 319.468 2.326 20 0 DEADHO C[C@@H]1C[N@@H+](CCc2ccccc2F)CC[C@H]1N1CCN(C)CC1 ZINC000346916322 146164755 /nfs/dbraw/zinc/16/47/55/146164755.db2.gz MJIMTDCFORLXPT-VQIMIIECSA-N 1 3 319.468 2.326 20 0 DEADHO CCN1CCN(c2ccccc2CN2CCC([NH2+]C)CC2)CC1 ZINC000347023028 146182124 /nfs/dbraw/zinc/18/21/24/146182124.db2.gz PCPJXKWAPAFGES-UHFFFAOYSA-N 1 3 316.493 2.012 20 0 DEADHO CCOC(=O)COc1ccc(CN2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000347032915 146183762 /nfs/dbraw/zinc/18/37/62/146183762.db2.gz ALDBMMWRSLJDRI-CQSZACIVSA-N 1 3 320.433 2.188 20 0 DEADHO C[C@H](N[C@H](CO)[C@@H]1CCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348364808 146261895 /nfs/dbraw/zinc/26/18/95/146261895.db2.gz CSZFUHZZBFIJSX-AITUJVMLSA-N 1 3 318.461 2.027 20 0 DEADHO C[C@H](N[C@H](CO)[C@@H]1CCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348364808 146261896 /nfs/dbraw/zinc/26/18/96/146261896.db2.gz CSZFUHZZBFIJSX-AITUJVMLSA-N 1 3 318.461 2.027 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000348567798 146288225 /nfs/dbraw/zinc/28/82/25/146288225.db2.gz FMGDDNXYOZQVOZ-IXDOHACOSA-N 1 3 324.513 2.423 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000348567798 146288227 /nfs/dbraw/zinc/28/82/27/146288227.db2.gz FMGDDNXYOZQVOZ-IXDOHACOSA-N 1 3 324.513 2.423 20 0 DEADHO Cc1nn(C(C)C)cc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000349058907 146345411 /nfs/dbraw/zinc/34/54/11/146345411.db2.gz ABBOSFNVAPVAAU-UHFFFAOYSA-N 1 3 321.513 2.230 20 0 DEADHO C[C@H](C[NH+](C)C)NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000349438333 146378473 /nfs/dbraw/zinc/37/84/73/146378473.db2.gz VNZYRRKRVIWJMQ-NVXWUHKLSA-N 1 3 318.465 2.073 20 0 DEADHO CC1(C)CN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCN1 ZINC000357350423 147092327 /nfs/dbraw/zinc/09/23/27/147092327.db2.gz QDQDIBDVIPCZPA-UHFFFAOYSA-N 1 3 315.461 2.497 20 0 DEADHO COCCN1CC[C@H](NC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)C1 ZINC000358723565 147190596 /nfs/dbraw/zinc/19/05/96/147190596.db2.gz LMHKUMLUVGADBY-WDSOQIARSA-N 1 3 323.525 2.340 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)[C@H](CN)c2ccc(F)cc2)CC1 ZINC000358863273 147220502 /nfs/dbraw/zinc/22/05/02/147220502.db2.gz VXLWMWFYKLSMDU-QGZVFWFLSA-N 1 3 321.440 2.106 20 0 DEADHO C[C@H](CNC(=O)[C@H](CN)c1ccc(F)cc1)[NH+]1CCC(C)CC1 ZINC000358867606 147221669 /nfs/dbraw/zinc/22/16/69/147221669.db2.gz UAEVQOOPZUWKTM-RHSMWYFYSA-N 1 3 321.440 2.105 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]CC(C)(C)CN(C)C)[C@@H](C)C1 ZINC000359364979 147315372 /nfs/dbraw/zinc/31/53/72/147315372.db2.gz PIWKGMVKCKLIEC-IRXDYDNUSA-N 1 3 313.530 2.301 20 0 DEADHO COc1ccccc1[C@H](CN[C@@H]1CCC[C@H]1[NH3+])N1CCCC1 ZINC000565475156 292164675 /nfs/dbraw/zinc/16/46/75/292164675.db2.gz XDLUMGBFIRHYQC-ZACQAIPSSA-N 1 3 303.450 2.302 20 0 DEADHO COc1ccccc1[C@H](C[NH2+][C@@H]1CCC[C@H]1N)N1CCCC1 ZINC000565475156 292164676 /nfs/dbraw/zinc/16/46/76/292164676.db2.gz XDLUMGBFIRHYQC-ZACQAIPSSA-N 1 3 303.450 2.302 20 0 DEADHO Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423482058 292171505 /nfs/dbraw/zinc/17/15/05/292171505.db2.gz XOYMDDCPOWPOHY-HRCADAONSA-N 1 3 324.490 2.264 20 0 DEADHO C[C@H](CC(=O)Nc1cc(CN(C)C)ccn1)[C@@H]1CCC[NH2+]C1 ZINC000565714980 292177435 /nfs/dbraw/zinc/17/74/35/292177435.db2.gz PUBYHKDLIDGZPF-UKRRQHHQSA-N 1 3 304.438 2.108 20 0 DEADHO COc1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000370697286 148046245 /nfs/dbraw/zinc/04/62/45/148046245.db2.gz KCSIBRPASHAKIR-APWZRJJASA-N 1 3 317.477 2.153 20 0 DEADHO COc1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000370697286 148046247 /nfs/dbraw/zinc/04/62/47/148046247.db2.gz KCSIBRPASHAKIR-APWZRJJASA-N 1 3 317.477 2.153 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)CC[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000292161132 292198885 /nfs/dbraw/zinc/19/88/85/292198885.db2.gz VBDXPZVKMDZRMH-IAGOWNOFSA-N 1 3 303.450 2.246 20 0 DEADHO CC(C)N(C)CC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000127119203 401721003 /nfs/dbraw/zinc/72/10/03/401721003.db2.gz ILDHKJKOOABQEJ-UHFFFAOYSA-N 1 3 309.429 2.056 20 0 DEADHO C[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)N1CCN(C)CC1 ZINC000127324840 401729369 /nfs/dbraw/zinc/72/93/69/401729369.db2.gz NSMMEEQXNUNGOS-KRWDZBQOSA-N 1 3 322.541 2.009 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)C[NH+]1CCCCC1 ZINC000126767101 401707203 /nfs/dbraw/zinc/70/72/03/401707203.db2.gz BSCYFRHEZSXHOY-OWCLPIDISA-N 1 3 322.497 2.033 20 0 DEADHO CC[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccccc1 ZINC000114501962 401802544 /nfs/dbraw/zinc/80/25/44/401802544.db2.gz WYRBBAUSUHLSOW-IBGZPJMESA-N 1 3 319.493 2.117 20 0 DEADHO C[C@H](NCCC[N@@H+]1CCCN(C)CC1)c1cccnc1Cl ZINC000128328589 401772060 /nfs/dbraw/zinc/77/20/60/401772060.db2.gz LRDSDHHRNHUSMC-AWEZNQCLSA-N 1 3 310.873 2.413 20 0 DEADHO C[C@H](NCCC[N@H+]1CCCN(C)CC1)c1cccnc1Cl ZINC000128328589 401772062 /nfs/dbraw/zinc/77/20/62/401772062.db2.gz LRDSDHHRNHUSMC-AWEZNQCLSA-N 1 3 310.873 2.413 20 0 DEADHO C[C@H](NCCCN1CCC[N@H+](C)CC1)c1cccnc1Cl ZINC000128328589 401772064 /nfs/dbraw/zinc/77/20/64/401772064.db2.gz LRDSDHHRNHUSMC-AWEZNQCLSA-N 1 3 310.873 2.413 20 0 DEADHO C[C@H](NCCCN1CCC[N@@H+](C)CC1)c1cccnc1Cl ZINC000128328589 401772068 /nfs/dbraw/zinc/77/20/68/401772068.db2.gz LRDSDHHRNHUSMC-AWEZNQCLSA-N 1 3 310.873 2.413 20 0 DEADHO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000077711881 401826730 /nfs/dbraw/zinc/82/67/30/401826730.db2.gz FHSKAINNSQNPFH-HNNXBMFYSA-N 1 3 320.481 2.278 20 0 DEADHO CC1CC[NH+](CCCNC(=O)N(C)C[C@@H]2CCCN(C)C2)CC1 ZINC000115788784 401837128 /nfs/dbraw/zinc/83/71/28/401837128.db2.gz NUPWNBQPEGENLU-QGZVFWFLSA-N 1 3 324.513 2.092 20 0 DEADHO CCN(CCNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1CC1 ZINC000116429945 401852771 /nfs/dbraw/zinc/85/27/71/401852771.db2.gz RTRVWFAMYBAWKQ-HNNXBMFYSA-N 1 3 312.502 2.136 20 0 DEADHO CN(C)CCNC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000133330832 401881830 /nfs/dbraw/zinc/88/18/30/401881830.db2.gz OPNXUGBQMOMJEL-UHFFFAOYSA-N 1 3 310.486 2.036 20 0 DEADHO C[C@H](NC1CC[NH+](C2CCCCC2)CC1)[C@H](C)N1CCOCC1 ZINC000133967876 401896761 /nfs/dbraw/zinc/89/67/61/401896761.db2.gz DCQUGXKLUYZJGK-IRXDYDNUSA-N 1 3 323.525 2.482 20 0 DEADHO C[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@H](C)N1CCOCC1 ZINC000133967876 401896764 /nfs/dbraw/zinc/89/67/64/401896764.db2.gz DCQUGXKLUYZJGK-IRXDYDNUSA-N 1 3 323.525 2.482 20 0 DEADHO CN1CCCC[C@@H]1CC[N@H+](C)C[C@H](O)COCc1ccccc1 ZINC000084963810 401912653 /nfs/dbraw/zinc/91/26/53/401912653.db2.gz STWYRDCPDZUZQK-MOPGFXCFSA-N 1 3 320.477 2.370 20 0 DEADHO CN1CCCC[C@@H]1CC[N@@H+](C)C[C@H](O)COCc1ccccc1 ZINC000084963810 401912655 /nfs/dbraw/zinc/91/26/55/401912655.db2.gz STWYRDCPDZUZQK-MOPGFXCFSA-N 1 3 320.477 2.370 20 0 DEADHO [NH3+]CCN1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000044426578 401943149 /nfs/dbraw/zinc/94/31/49/401943149.db2.gz KIRIGQSUPQHVNR-UHFFFAOYSA-N 1 3 301.356 2.172 20 0 DEADHO CC(C)NC(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821071 402009982 /nfs/dbraw/zinc/00/99/82/402009982.db2.gz YCWWVMUAFJIUPX-UHFFFAOYSA-N 1 3 318.465 2.145 20 0 DEADHO C[C@@H](CNC(=O)c1cccc(CN2CCCC2)c1)[N@H+](C)C1CC1 ZINC000057703392 402096114 /nfs/dbraw/zinc/09/61/14/402096114.db2.gz NMNUSRKGBYCYCH-HNNXBMFYSA-N 1 3 315.461 2.495 20 0 DEADHO C[C@@H](CNC(=O)c1cccc(CN2CCCC2)c1)[N@@H+](C)C1CC1 ZINC000057703392 402096116 /nfs/dbraw/zinc/09/61/16/402096116.db2.gz NMNUSRKGBYCYCH-HNNXBMFYSA-N 1 3 315.461 2.495 20 0 DEADHO CCN(CC)C(=O)C[C@@H](C)NCc1ccc(C[NH+](C)C)cc1 ZINC000122945914 402102904 /nfs/dbraw/zinc/10/29/04/402102904.db2.gz QWZJOARVBJKNPW-OAHLLOKOSA-N 1 3 305.466 2.485 20 0 DEADHO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000122945914 402102908 /nfs/dbraw/zinc/10/29/08/402102908.db2.gz QWZJOARVBJKNPW-OAHLLOKOSA-N 1 3 305.466 2.485 20 0 DEADHO CCN(CC)CC(=O)NCc1ccccc1C[NH+](CC)CC ZINC000063666652 402114120 /nfs/dbraw/zinc/11/41/20/402114120.db2.gz LCVQZBWDSNDVQS-UHFFFAOYSA-N 1 3 305.466 2.486 20 0 DEADHO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC000124446172 402180653 /nfs/dbraw/zinc/18/06/53/402180653.db2.gz YJHBSKXFESFCKS-ZWKOTPCHSA-N 1 3 319.493 2.242 20 0 DEADHO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC000124446172 402180657 /nfs/dbraw/zinc/18/06/57/402180657.db2.gz YJHBSKXFESFCKS-ZWKOTPCHSA-N 1 3 319.493 2.242 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000154050585 402189434 /nfs/dbraw/zinc/18/94/34/402189434.db2.gz UXSUONGKPDPZMN-QGZVFWFLSA-N 1 3 307.482 2.195 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@@H]2C(C)(C)CC)CC1 ZINC000156996239 402291076 /nfs/dbraw/zinc/29/10/76/402291076.db2.gz NQYODCGTYWYTBQ-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CN(CCN(C)C)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000176559027 402319587 /nfs/dbraw/zinc/31/95/87/402319587.db2.gz KTMDEEAVAZAGDA-JKSUJKDBSA-N 1 3 312.502 2.088 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)CCN(C)C2CC2)C1 ZINC000185579287 402362832 /nfs/dbraw/zinc/36/28/32/402362832.db2.gz LYFKEOVIIQDPDN-MRXNPFEDSA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(C)CCN(C)C2CC2)C1 ZINC000185579287 402362835 /nfs/dbraw/zinc/36/28/35/402362835.db2.gz LYFKEOVIIQDPDN-MRXNPFEDSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H](CNC(=O)C[C@H](C)C1CC[NH2+]CC1)N1CCC(C)CC1 ZINC000236723588 402378357 /nfs/dbraw/zinc/37/83/57/402378357.db2.gz DAHVNUDCEXDAPF-JKSUJKDBSA-N 1 3 309.498 2.249 20 0 DEADHO CC[C@@H](C)[C@@H](N)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000236948461 402389115 /nfs/dbraw/zinc/38/91/15/402389115.db2.gz MUVWQUMPEHMTQO-NVXWUHKLSA-N 1 3 309.498 2.474 20 0 DEADHO CC[C@@H](C)[C@@H](N)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000236948461 402389118 /nfs/dbraw/zinc/38/91/18/402389118.db2.gz MUVWQUMPEHMTQO-NVXWUHKLSA-N 1 3 309.498 2.474 20 0 DEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N(C)CCN(C)C2CC2)C1 ZINC000185149498 402328543 /nfs/dbraw/zinc/32/85/43/402328543.db2.gz XPPRDBKBLMOQIV-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N(C)CCN(C)C2CC2)C1 ZINC000185149498 402328545 /nfs/dbraw/zinc/32/85/45/402328545.db2.gz XPPRDBKBLMOQIV-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO C[NH2+]CCCC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000237178086 402398311 /nfs/dbraw/zinc/39/83/11/402398311.db2.gz YRHRRNSKYYFWJW-CJNGLKHVSA-N 1 3 309.479 2.247 20 0 DEADHO C[C@@H](C(=O)NCC1(C[NH+](C)C)CCCC1)N1CCCCCC1 ZINC000186180964 402408161 /nfs/dbraw/zinc/40/81/61/402408161.db2.gz YUNJHKFCMLPKKN-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)C2(N)CC2)C1 ZINC000237707167 402418429 /nfs/dbraw/zinc/41/84/29/402418429.db2.gz ACUDDFVUEHLDRM-GJZGRUSLSA-N 1 3 315.461 2.272 20 0 DEADHO [NH3+]C1(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CCCC1 ZINC000237922420 402426076 /nfs/dbraw/zinc/42/60/76/402426076.db2.gz YIBAXRZMUNWFBO-INIZCTEOSA-N 1 3 301.434 2.039 20 0 DEADHO [NH3+]C[C@@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000238087688 402437290 /nfs/dbraw/zinc/43/72/90/402437290.db2.gz QAJVOWKCDMJAFE-INIZCTEOSA-N 1 3 301.434 2.093 20 0 DEADHO Cc1ccc(C(=O)NCCN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1F ZINC000177870164 402441792 /nfs/dbraw/zinc/44/17/92/402441792.db2.gz IZJFBGGPRVMHCA-JJRVBVJISA-N 1 3 321.440 2.182 20 0 DEADHO Cc1ccc(C(=O)NCCN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1F ZINC000177870164 402441797 /nfs/dbraw/zinc/44/17/97/402441797.db2.gz IZJFBGGPRVMHCA-JJRVBVJISA-N 1 3 321.440 2.182 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@]1(C)CC[NH2+]C1)c1ccsc1 ZINC000164901011 402470065 /nfs/dbraw/zinc/47/00/65/402470065.db2.gz JTELIBNZLMIUHE-GOEBONIOSA-N 1 3 309.479 2.247 20 0 DEADHO CC(C)(CNC(=O)C[C@@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000164924773 402470934 /nfs/dbraw/zinc/47/09/34/402470934.db2.gz MSBAWBPCZBKVHN-KRWDZBQOSA-N 1 3 315.461 2.082 20 0 DEADHO CC[C@H](CNC(=O)C[C@@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000164953286 402471528 /nfs/dbraw/zinc/47/15/28/402471528.db2.gz KYRCLGQZYGAXSG-ZWKOTPCHSA-N 1 3 315.461 2.082 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[NH2+]2)CCN1Cc1ccccc1 ZINC000167540710 402492002 /nfs/dbraw/zinc/49/20/02/402492002.db2.gz ZZCJTBQENXFEKV-NXHRZFHOSA-N 1 3 315.461 2.298 20 0 DEADHO CSCC[C@@H](N)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000167622861 402492650 /nfs/dbraw/zinc/49/26/50/402492650.db2.gz AIEHOFBADNBSNA-DZGCQCFKSA-N 1 3 323.506 2.312 20 0 DEADHO Cc1ccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)c(OCCN(C)C)c1 ZINC000169088011 402500010 /nfs/dbraw/zinc/50/00/10/402500010.db2.gz IXIAIEHYQFKLIZ-GJZGRUSLSA-N 1 3 319.449 2.391 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000178857879 402547123 /nfs/dbraw/zinc/54/71/23/402547123.db2.gz REJOVHKGGAGSKK-UXLLHSPISA-N 1 3 305.466 2.387 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000178857879 402547125 /nfs/dbraw/zinc/54/71/25/402547125.db2.gz REJOVHKGGAGSKK-UXLLHSPISA-N 1 3 305.466 2.387 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)[NH+]1CCC(C)CC1 ZINC000247080882 402556286 /nfs/dbraw/zinc/55/62/86/402556286.db2.gz XRFUEDQETCDCGX-BZUAXINKSA-N 1 3 322.497 2.031 20 0 DEADHO CCOC(=O)N[C@H](CN[C@H]1CC[N@H+](CC)C[C@@H]1C)CC(C)C ZINC000247193477 402559249 /nfs/dbraw/zinc/55/92/49/402559249.db2.gz VXTJSEWDHUZGJD-JYJNAYRXSA-N 1 3 313.486 2.467 20 0 DEADHO CCOC(=O)N[C@H](CN[C@H]1CC[N@@H+](CC)C[C@@H]1C)CC(C)C ZINC000247193477 402559250 /nfs/dbraw/zinc/55/92/50/402559250.db2.gz VXTJSEWDHUZGJD-JYJNAYRXSA-N 1 3 313.486 2.467 20 0 DEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000246396526 402529468 /nfs/dbraw/zinc/52/94/68/402529468.db2.gz JIFNUBDYDZKHAA-DLBZAZTESA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000246396526 402529469 /nfs/dbraw/zinc/52/94/69/402529469.db2.gz JIFNUBDYDZKHAA-DLBZAZTESA-N 1 3 324.513 2.234 20 0 DEADHO CC[C@H](C)[C@@H](N)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000178731963 402532248 /nfs/dbraw/zinc/53/22/48/402532248.db2.gz OMJSFTXXBDWRSL-MAUKXSAKSA-N 1 3 317.477 2.388 20 0 DEADHO CCn1nccc1CN1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000180039752 402605701 /nfs/dbraw/zinc/60/57/01/402605701.db2.gz AEODQNJNQRCDJC-UHFFFAOYSA-N 1 3 322.497 2.473 20 0 DEADHO CCn1nccc1CN1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000180039752 402605704 /nfs/dbraw/zinc/60/57/04/402605704.db2.gz AEODQNJNQRCDJC-UHFFFAOYSA-N 1 3 322.497 2.473 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCCc1ccc(F)cc1 ZINC000566437516 292239882 /nfs/dbraw/zinc/23/98/82/292239882.db2.gz PXGCPGGVBAOXJJ-UHFFFAOYSA-N 1 3 323.456 2.100 20 0 DEADHO C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000192099468 402711465 /nfs/dbraw/zinc/71/14/65/402711465.db2.gz BWKTYQLCGYRHRA-BFYDXBDKSA-N 1 3 303.450 2.093 20 0 DEADHO CN(C(=O)[C@H]1CC[C@H]([NH3+])C1)C1CCN(Cc2ccccc2)CC1 ZINC000261555723 402713773 /nfs/dbraw/zinc/71/37/73/402713773.db2.gz VDUAOSGITXRJGU-IRXDYDNUSA-N 1 3 315.461 2.237 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NCc2cccc(CN(C)C)c2)CC1 ZINC000173815566 402713852 /nfs/dbraw/zinc/71/38/52/402713852.db2.gz LWDLEDXPHTXKBP-UHFFFAOYSA-N 1 3 317.477 2.485 20 0 DEADHO c1nc(C2CCN(C[C@H]3CCC[NH2+]C3)CC2)n2c1CCCC2 ZINC000261886907 402718743 /nfs/dbraw/zinc/71/87/43/402718743.db2.gz WZVJKCWCVRNOLO-HNNXBMFYSA-N 1 3 302.466 2.398 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000174287639 402735145 /nfs/dbraw/zinc/73/51/45/402735145.db2.gz TVHOADTZQSXIOR-MRXNPFEDSA-N 1 3 312.502 2.279 20 0 DEADHO C[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)N1CCCCCC1 ZINC000174319224 402736860 /nfs/dbraw/zinc/73/68/60/402736860.db2.gz AGFZNSVLBXHSRK-IRXDYDNUSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)c2cccc(CN3CCCC3)c2)CC[NH2+]1 ZINC000262934267 402737202 /nfs/dbraw/zinc/73/72/02/402737202.db2.gz TUKWECDCHIKUKG-RHSMWYFYSA-N 1 3 301.434 2.153 20 0 DEADHO Cc1ccc([C@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000423390134 292246982 /nfs/dbraw/zinc/24/69/82/292246982.db2.gz OGGXZKLHHLZNRF-DZGCQCFKSA-N 1 3 315.383 2.482 20 0 DEADHO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000183216756 402748027 /nfs/dbraw/zinc/74/80/27/402748027.db2.gz LRMPQVHGUSVQAP-CQSZACIVSA-N 1 3 321.465 2.050 20 0 DEADHO CN(C)CCOc1cccc(NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])c1 ZINC000263307533 402757053 /nfs/dbraw/zinc/75/70/53/402757053.db2.gz YDHQGBBNHGEQAJ-WMZOPIPTSA-N 1 3 319.449 2.473 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175788392 402832954 /nfs/dbraw/zinc/83/29/54/402832954.db2.gz PKWUCJVRNQMKDP-PMPSAXMXSA-N 1 3 310.486 2.033 20 0 DEADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)CC[NH+](C)C)N(C)C)cc1 ZINC000263791852 292252836 /nfs/dbraw/zinc/25/28/36/292252836.db2.gz YOHVJAKJXLRDEX-WBVHZDCISA-N 1 3 320.481 2.237 20 0 DEADHO CNC(=O)C[C@H](C)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272328982 402924278 /nfs/dbraw/zinc/92/42/78/402924278.db2.gz MOJWDMYKKYMSNQ-ZOBUZTSGSA-N 1 3 303.450 2.011 20 0 DEADHO CNC(=O)C[C@H](C)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272328982 402924281 /nfs/dbraw/zinc/92/42/81/402924281.db2.gz MOJWDMYKKYMSNQ-ZOBUZTSGSA-N 1 3 303.450 2.011 20 0 DEADHO CNC(=O)C[C@H](C)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272328968 402924353 /nfs/dbraw/zinc/92/43/53/402924353.db2.gz MOJWDMYKKYMSNQ-UXLLHSPISA-N 1 3 303.450 2.011 20 0 DEADHO CNC(=O)C[C@H](C)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272328968 402924354 /nfs/dbraw/zinc/92/43/54/402924354.db2.gz MOJWDMYKKYMSNQ-UXLLHSPISA-N 1 3 303.450 2.011 20 0 DEADHO COC[C@H](C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)OC ZINC000274814342 403090508 /nfs/dbraw/zinc/09/05/08/403090508.db2.gz YPXUJUXFFJJNRL-JQHSSLGASA-N 1 3 306.450 2.148 20 0 DEADHO COC[C@H](CN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC000274814342 403090510 /nfs/dbraw/zinc/09/05/10/403090510.db2.gz YPXUJUXFFJJNRL-JQHSSLGASA-N 1 3 306.450 2.148 20 0 DEADHO COC[C@H](CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)OC ZINC000274814342 403090512 /nfs/dbraw/zinc/09/05/12/403090512.db2.gz YPXUJUXFFJJNRL-JQHSSLGASA-N 1 3 306.450 2.148 20 0 DEADHO CC(C)C(=O)NCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268698921 403107561 /nfs/dbraw/zinc/10/75/61/403107561.db2.gz ARVXPQHQUHSMST-SJLPKXTDSA-N 1 3 317.477 2.401 20 0 DEADHO CC(C)C(=O)NCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268698921 403107564 /nfs/dbraw/zinc/10/75/64/403107564.db2.gz ARVXPQHQUHSMST-SJLPKXTDSA-N 1 3 317.477 2.401 20 0 DEADHO COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccnc(OCCN(C)C)c1 ZINC000281976330 403110159 /nfs/dbraw/zinc/11/01/59/403110159.db2.gz BTWLMCAUVYSSMS-IAGOWNOFSA-N 1 3 321.465 2.317 20 0 DEADHO CN1CCC(O)(C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000275680814 403115075 /nfs/dbraw/zinc/11/50/75/403115075.db2.gz ZXULKOHNYFPJFM-MSOLQXFVSA-N 1 3 302.462 2.444 20 0 DEADHO COc1ccc([C@H](C)[C@H](C)NC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000268814921 403117150 /nfs/dbraw/zinc/11/71/50/403117150.db2.gz FVNPQLOKYIRXJJ-HLLBOEOZSA-N 1 3 306.450 2.234 20 0 DEADHO CC[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(OC)c(OC)c1 ZINC000268887286 403120661 /nfs/dbraw/zinc/12/06/61/403120661.db2.gz ZBKJHZFJRRREKG-HZPDHXFCSA-N 1 3 322.449 2.201 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000269266461 403126310 /nfs/dbraw/zinc/12/63/10/403126310.db2.gz PPDCNNDTASJOTD-SPUZQDLCSA-N 1 3 315.461 2.141 20 0 DEADHO CCOc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000282212477 403132736 /nfs/dbraw/zinc/13/27/36/403132736.db2.gz DLALYXIJHAATQE-UHFFFAOYSA-N 1 3 305.466 2.201 20 0 DEADHO COc1ccc2c(c1)[C@@H]([NH2+]CC1(O)CCN(C)CC1)CCS2 ZINC000276080394 403144674 /nfs/dbraw/zinc/14/46/74/403144674.db2.gz BGGCDGRXZRUJDL-HNNXBMFYSA-N 1 3 322.474 2.278 20 0 DEADHO C[C@@H](Cc1cnccn1)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000566779486 292267211 /nfs/dbraw/zinc/26/72/11/292267211.db2.gz YQGZPUWAABMGSZ-HNNXBMFYSA-N 1 3 311.433 2.309 20 0 DEADHO COC(C[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1)OC ZINC000285727337 403366709 /nfs/dbraw/zinc/36/67/09/403366709.db2.gz XIJKEUAJWVGPOT-GOSISDBHSA-N 1 3 304.434 2.203 20 0 DEADHO COC(C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1)OC ZINC000285727337 403366711 /nfs/dbraw/zinc/36/67/11/403366711.db2.gz XIJKEUAJWVGPOT-GOSISDBHSA-N 1 3 304.434 2.203 20 0 DEADHO CCC1CC([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000342695541 403311984 /nfs/dbraw/zinc/31/19/84/403311984.db2.gz AMVDQSRNFVXXGV-UHFFFAOYSA-N 1 3 303.450 2.256 20 0 DEADHO CN(CC[NH2+]C1CCN(c2ccncc2)CC1)CC(F)(F)F ZINC000298559168 403414114 /nfs/dbraw/zinc/41/41/14/403414114.db2.gz VTZPZPCQNAZBSY-UHFFFAOYSA-N 1 3 316.371 2.134 20 0 DEADHO CC[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000298569923 403415719 /nfs/dbraw/zinc/41/57/19/403415719.db2.gz ONEGSJBVTPJWBW-QGZVFWFLSA-N 1 3 318.465 2.073 20 0 DEADHO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H](N)CC(F)F)c1ccccc1 ZINC000345704625 403445553 /nfs/dbraw/zinc/44/55/53/403445553.db2.gz FESQJFPITBUMPO-WCQYABFASA-N 1 3 313.392 2.215 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]CCC[C@H](C)CO)CC1 ZINC000340107593 403550017 /nfs/dbraw/zinc/55/00/17/403550017.db2.gz YVUMDFXNRCDUBD-KRWDZBQOSA-N 1 3 319.493 2.327 20 0 DEADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000339988183 403517719 /nfs/dbraw/zinc/51/77/19/403517719.db2.gz QTGSANBMVTWSAA-CVEARBPZSA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)[C@@H](C)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000339992603 403518650 /nfs/dbraw/zinc/51/86/50/403518650.db2.gz SCFDHCBPYBZVBG-OAHLLOKOSA-N 1 3 324.513 2.231 20 0 DEADHO C[C@@H](NCc1ccncc1OCC[NH+](C)C)[C@@]1(C)CCCO1 ZINC000340401314 403604816 /nfs/dbraw/zinc/60/48/16/403604816.db2.gz LPKSAKCWMBWAOD-RHSMWYFYSA-N 1 3 307.438 2.069 20 0 DEADHO COC(C)(C)[C@H](C)NCc1ccncc1OCCC[NH+](C)C ZINC000340402965 403605580 /nfs/dbraw/zinc/60/55/80/403605580.db2.gz RRHUVNWEGDAIBR-AWEZNQCLSA-N 1 3 309.454 2.315 20 0 DEADHO CN(c1ccccc1CN1CCC[C@@H]([NH3+])C1)C1CCN(C)CC1 ZINC000346094206 403573758 /nfs/dbraw/zinc/57/37/58/403573758.db2.gz NVHGALXJNXXRMR-QGZVFWFLSA-N 1 3 316.493 2.140 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H]1CN1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000340278362 403576420 /nfs/dbraw/zinc/57/64/20/403576420.db2.gz GMZQRXQKYKWZRO-HKUYNNGSSA-N 1 3 323.525 2.434 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H]1CN1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000340278362 403576423 /nfs/dbraw/zinc/57/64/23/403576423.db2.gz GMZQRXQKYKWZRO-HKUYNNGSSA-N 1 3 323.525 2.434 20 0 DEADHO CC(C)N1CCCC[C@H]1C[NH+]1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000340278362 403576425 /nfs/dbraw/zinc/57/64/25/403576425.db2.gz GMZQRXQKYKWZRO-HKUYNNGSSA-N 1 3 323.525 2.434 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NCC2([NH+](C)C)CCCCCC2)CCCN1C ZINC000343612217 403662555 /nfs/dbraw/zinc/66/25/55/403662555.db2.gz FKABQDBERWNUAK-HZPDHXFCSA-N 1 3 324.513 2.423 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)N(CC)CC ZINC000347384825 403688544 /nfs/dbraw/zinc/68/85/44/403688544.db2.gz ZGKVAYUHVJESOV-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)N(CC)CC ZINC000347384825 403688546 /nfs/dbraw/zinc/68/85/46/403688546.db2.gz ZGKVAYUHVJESOV-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000340957167 403712485 /nfs/dbraw/zinc/71/24/85/403712485.db2.gz AYZAJVZKPRBZNE-SJORKVTESA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000295025839 403739430 /nfs/dbraw/zinc/73/94/30/403739430.db2.gz NOZLFZOYMSGLCM-XJKSGUPXSA-N 1 3 305.397 2.044 20 0 DEADHO CCC[C@@H]1CN(CC[C@H]2CCCC[N@@H+]2C)CCN1CCOC ZINC000347577411 403759568 /nfs/dbraw/zinc/75/95/68/403759568.db2.gz AMMPTTWTPDTICC-QZTJIDSGSA-N 1 3 311.514 2.294 20 0 DEADHO CCC[C@@H]1CN(CC[C@H]2CCCC[N@H+]2C)CCN1CCOC ZINC000347577411 403759571 /nfs/dbraw/zinc/75/95/71/403759571.db2.gz AMMPTTWTPDTICC-QZTJIDSGSA-N 1 3 311.514 2.294 20 0 DEADHO O=C(NCCN1CCC2(CCCCC2)CC1)NC[C@@H]1CCC[NH2+]1 ZINC000333696738 403820359 /nfs/dbraw/zinc/82/03/59/403820359.db2.gz CZIGKGSSWBQDDU-INIZCTEOSA-N 1 3 322.497 2.084 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CC1(C)C ZINC000341135970 403790780 /nfs/dbraw/zinc/79/07/80/403790780.db2.gz WHAJRSYLTQXOIP-HOTGVXAUSA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CC1(C)C ZINC000341135970 403790785 /nfs/dbraw/zinc/79/07/85/403790785.db2.gz WHAJRSYLTQXOIP-HOTGVXAUSA-N 1 3 324.513 2.090 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000295210761 403798014 /nfs/dbraw/zinc/79/80/14/403798014.db2.gz PYTYFGMFPVAAIS-JZXOWHBKSA-N 1 3 317.477 2.401 20 0 DEADHO CC(C)[C@H](C(=O)NCC1([NH+](C)C)CCCC1)N1CCCCC1 ZINC000354600790 403897730 /nfs/dbraw/zinc/89/77/30/403897730.db2.gz NCLPUXNUNODGAC-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000295302876 403843949 /nfs/dbraw/zinc/84/39/49/403843949.db2.gz VFRSSHQIURVEAM-QAPCUYQASA-N 1 3 317.477 2.183 20 0 DEADHO [NH3+]C[C@H](NC(=O)N1CC[C@@H](N2CCCCC2)C1)C1CCCCC1 ZINC000333771992 403855472 /nfs/dbraw/zinc/85/54/72/403855472.db2.gz CEAXMUSICMPHQD-SJORKVTESA-N 1 3 322.497 2.164 20 0 DEADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC3(O)CCOCC3)CC2)C1 ZINC000305171072 403861080 /nfs/dbraw/zinc/86/10/80/403861080.db2.gz ZTESFDDXIJPPNI-NVXWUHKLSA-N 1 3 310.482 2.161 20 0 DEADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CC3(O)CCOCC3)CC2)C1 ZINC000305171072 403861083 /nfs/dbraw/zinc/86/10/83/403861083.db2.gz ZTESFDDXIJPPNI-NVXWUHKLSA-N 1 3 310.482 2.161 20 0 DEADHO C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000411557463 403893719 /nfs/dbraw/zinc/89/37/19/403893719.db2.gz ZJBGLBFQSPLBBR-KRWDZBQOSA-N 1 3 315.461 2.354 20 0 DEADHO C[N@H+]1CC[C@@H](CNC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000411557463 403893727 /nfs/dbraw/zinc/89/37/27/403893727.db2.gz ZJBGLBFQSPLBBR-KRWDZBQOSA-N 1 3 315.461 2.354 20 0 DEADHO CCCNC(=O)CC[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000347879548 403925967 /nfs/dbraw/zinc/92/59/67/403925967.db2.gz OPLHYKXHMQZUDK-FUHWJXTLSA-N 1 3 317.477 2.403 20 0 DEADHO CCCNC(=O)CCN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347879548 403925971 /nfs/dbraw/zinc/92/59/71/403925971.db2.gz OPLHYKXHMQZUDK-FUHWJXTLSA-N 1 3 317.477 2.403 20 0 DEADHO CCCNC(=O)CCN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347879548 403925978 /nfs/dbraw/zinc/92/59/78/403925978.db2.gz OPLHYKXHMQZUDK-FUHWJXTLSA-N 1 3 317.477 2.403 20 0 DEADHO CCN1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)C1 ZINC000344154574 403943765 /nfs/dbraw/zinc/94/37/65/403943765.db2.gz PARLSBVMIFKOAO-YSIASYRMSA-N 1 3 315.505 2.481 20 0 DEADHO CC[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)C1CCOCC1 ZINC000337319730 403980610 /nfs/dbraw/zinc/98/06/10/403980610.db2.gz OGUDLWYMNHCMCK-SFHVURJKSA-N 1 3 311.514 2.197 20 0 DEADHO C[C@H](CNC(=O)NC1CCN(C2CC2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000337391198 403992918 /nfs/dbraw/zinc/99/29/18/403992918.db2.gz ZQWLTFSPZSTINO-LSDHHAIUSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@H](CNC(=O)NC1CCN(C2CC2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000337391198 403992924 /nfs/dbraw/zinc/99/29/24/403992924.db2.gz ZQWLTFSPZSTINO-LSDHHAIUSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCCN(C)CC2)C1 ZINC000337412862 404005632 /nfs/dbraw/zinc/00/56/32/404005632.db2.gz PUVFHCYXRUCTKW-IRXDYDNUSA-N 1 3 324.513 2.092 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(C)[C@H]2C)CC1 ZINC000344261241 404016148 /nfs/dbraw/zinc/01/61/48/404016148.db2.gz VYHOWZRCWNUYGL-GOEBONIOSA-N 1 3 310.486 2.033 20 0 DEADHO c1cncc(CN2CCC(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000341457953 403977154 /nfs/dbraw/zinc/97/71/54/403977154.db2.gz MPPMMTHEOJOWBS-MOPGFXCFSA-N 1 3 314.477 2.262 20 0 DEADHO c1cncc(CN2CCC(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000341457953 403977181 /nfs/dbraw/zinc/97/71/81/403977181.db2.gz MPPMMTHEOJOWBS-MOPGFXCFSA-N 1 3 314.477 2.262 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCC(F)(F)[C@H](C)C2)CC1 ZINC000352017587 404082459 /nfs/dbraw/zinc/08/24/59/404082459.db2.gz IGFCYJDXISRZJM-OAHLLOKOSA-N 1 3 303.441 2.380 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCC(F)(F)[C@H](C)C2)CC1 ZINC000352017587 404082463 /nfs/dbraw/zinc/08/24/63/404082463.db2.gz IGFCYJDXISRZJM-OAHLLOKOSA-N 1 3 303.441 2.380 20 0 DEADHO C[C@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)N1[C@H](C)CC[C@@H]1C ZINC000412050563 404091529 /nfs/dbraw/zinc/09/15/29/404091529.db2.gz YTIRFVDWVLPOEO-YYIAUSFCSA-N 1 3 307.482 2.335 20 0 DEADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000323928329 404096211 /nfs/dbraw/zinc/09/62/11/404096211.db2.gz XDOOUQUQAPRFSP-BDXSIMOUSA-N 1 3 319.493 2.099 20 0 DEADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000363162871 404097522 /nfs/dbraw/zinc/09/75/22/404097522.db2.gz PMLRENIAFHVLKC-FUHWJXTLSA-N 1 3 315.461 2.109 20 0 DEADHO CO[C@]1(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CCOC1 ZINC000348217449 404052701 /nfs/dbraw/zinc/05/27/01/404052701.db2.gz AONXBZXDLUZIMO-QRQLOZEOSA-N 1 3 318.461 2.292 20 0 DEADHO Clc1ccc(OCCCN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000319429744 404056031 /nfs/dbraw/zinc/05/60/31/404056031.db2.gz PUCKUIJQJRBNBA-MRXNPFEDSA-N 1 3 323.868 2.088 20 0 DEADHO CO[C@H]1COC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000290268686 404105298 /nfs/dbraw/zinc/10/52/98/404105298.db2.gz VXRWHVOELHAYLW-OYSTVDSJSA-N 1 3 316.445 2.185 20 0 DEADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc2c(c1)CCC(=O)N2C ZINC000290320045 404124635 /nfs/dbraw/zinc/12/46/35/404124635.db2.gz CVUYLZPUJQIAAR-WMLDXEAASA-N 1 3 315.461 2.368 20 0 DEADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc2c(c1)CCC(=O)N2C ZINC000290320045 404124642 /nfs/dbraw/zinc/12/46/42/404124642.db2.gz CVUYLZPUJQIAAR-WMLDXEAASA-N 1 3 315.461 2.368 20 0 DEADHO c1cc2c(cc1CCN[C@@H]1CC[N@@H+]3CCC[C@H]3C1)OCCO2 ZINC000337605974 404128488 /nfs/dbraw/zinc/12/84/88/404128488.db2.gz MIYFQNKMRQBZCV-CVEARBPZSA-N 1 3 302.418 2.217 20 0 DEADHO c1cc2c(cc1CCN[C@@H]1CC[N@H+]3CCC[C@H]3C1)OCCO2 ZINC000337605974 404128496 /nfs/dbraw/zinc/12/84/96/404128496.db2.gz MIYFQNKMRQBZCV-CVEARBPZSA-N 1 3 302.418 2.217 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000349143355 404128731 /nfs/dbraw/zinc/12/87/31/404128731.db2.gz MAGSFNZNRAQMBM-MWDXBVQZSA-N 1 3 309.498 2.343 20 0 DEADHO C[N@H+](C[C@H](O)CN[C@H]1CCC[C@H]1OCc1ccccc1)C1CC1 ZINC000352094403 404138344 /nfs/dbraw/zinc/13/83/44/404138344.db2.gz ZVBHXKMMVXLGJQ-CEXWTWQISA-N 1 3 318.461 2.169 20 0 DEADHO C[N@@H+](C[C@H](O)CN[C@H]1CCC[C@H]1OCc1ccccc1)C1CC1 ZINC000352094403 404138351 /nfs/dbraw/zinc/13/83/51/404138351.db2.gz ZVBHXKMMVXLGJQ-CEXWTWQISA-N 1 3 318.461 2.169 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)c1ccsc1 ZINC000341770379 404162415 /nfs/dbraw/zinc/16/24/15/404162415.db2.gz NNBNAFBFOUZLPW-FVQBIDKESA-N 1 3 323.506 2.445 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)c1ccsc1 ZINC000341770379 404162418 /nfs/dbraw/zinc/16/24/18/404162418.db2.gz NNBNAFBFOUZLPW-FVQBIDKESA-N 1 3 323.506 2.445 20 0 DEADHO CCC[N@H+](CC)CCNC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000352145188 404173952 /nfs/dbraw/zinc/17/39/52/404173952.db2.gz DZLDAWWHFRHEEI-HNNXBMFYSA-N 1 3 312.502 2.090 20 0 DEADHO CCC[N@@H+](CC)CCNC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000352145188 404173956 /nfs/dbraw/zinc/17/39/56/404173956.db2.gz DZLDAWWHFRHEEI-HNNXBMFYSA-N 1 3 312.502 2.090 20 0 DEADHO CN1CCC(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CC1 ZINC000369679909 404191068 /nfs/dbraw/zinc/19/10/68/404191068.db2.gz LQZGDMXUGKKYQG-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CN1CCC(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC000369679909 404191076 /nfs/dbraw/zinc/19/10/76/404191076.db2.gz LQZGDMXUGKKYQG-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO Cc1ncc([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)c(C)n1 ZINC000329191224 404259114 /nfs/dbraw/zinc/25/91/14/404259114.db2.gz SFADDGMAGGDEOK-VHSSKADRSA-N 1 3 318.465 2.122 20 0 DEADHO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@H](C1CC1)N1CCCC1 ZINC000352401029 404344565 /nfs/dbraw/zinc/34/45/65/404344565.db2.gz YJHBSKXFESFCKS-ROUUACIJSA-N 1 3 319.493 2.242 20 0 DEADHO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@H](C1CC1)N1CCCC1 ZINC000352401029 404344568 /nfs/dbraw/zinc/34/45/68/404344568.db2.gz YJHBSKXFESFCKS-ROUUACIJSA-N 1 3 319.493 2.242 20 0 DEADHO CC1(C)CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CCN1 ZINC000338574397 404412566 /nfs/dbraw/zinc/41/25/66/404412566.db2.gz WTBBEAAQIZGEOB-UHFFFAOYSA-N 1 3 301.434 2.106 20 0 DEADHO C(N1CC[C@H](C2CC2)C1)C1(C[N@@H+]2CC[C@@H](C3CC3)C2)COC1 ZINC000364719878 404514682 /nfs/dbraw/zinc/51/46/82/404514682.db2.gz DDHOIOSKOBMPKH-HDICACEKSA-N 1 3 304.478 2.467 20 0 DEADHO C(N1CC[C@H](C2CC2)C1)C1(C[N@H+]2CC[C@@H](C3CC3)C2)COC1 ZINC000364719878 404514692 /nfs/dbraw/zinc/51/46/92/404514692.db2.gz DDHOIOSKOBMPKH-HDICACEKSA-N 1 3 304.478 2.467 20 0 DEADHO C(N1CC[C@@H](C2CC2)C1)C1(C[N@@H+]2CC[C@H](C3CC3)C2)COC1 ZINC000364719878 404514698 /nfs/dbraw/zinc/51/46/98/404514698.db2.gz DDHOIOSKOBMPKH-HDICACEKSA-N 1 3 304.478 2.467 20 0 DEADHO C(N1CC[C@@H](C2CC2)C1)C1(C[N@H+]2CC[C@H](C3CC3)C2)COC1 ZINC000364719878 404514705 /nfs/dbraw/zinc/51/47/05/404514705.db2.gz DDHOIOSKOBMPKH-HDICACEKSA-N 1 3 304.478 2.467 20 0 DEADHO c1ccc(OCCCCCN2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000352535647 404441271 /nfs/dbraw/zinc/44/12/71/404441271.db2.gz TXBHEKYPZRFNNP-GOSISDBHSA-N 1 3 317.477 2.215 20 0 DEADHO CCOC(=O)COc1ccc(CN2CCCC[C@H]2CC[NH3+])cc1 ZINC000352546731 404447725 /nfs/dbraw/zinc/44/77/25/404447725.db2.gz ZMYDKGFSDWEXCW-INIZCTEOSA-N 1 3 320.433 2.332 20 0 DEADHO CN1CCC(N2CCC([NH2+]C3CC(OC(C)(C)C)C3)CC2)CC1 ZINC000352558466 404455742 /nfs/dbraw/zinc/45/57/42/404455742.db2.gz XCEJTSAPPKSXMQ-UHFFFAOYSA-N 1 3 323.525 2.481 20 0 DEADHO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414187934 404541827 /nfs/dbraw/zinc/54/18/27/404541827.db2.gz IPACYQGBZHHWFX-IRXDYDNUSA-N 1 3 323.525 2.197 20 0 DEADHO CN1CCC[C@@H]1CNC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000338800299 404554455 /nfs/dbraw/zinc/55/44/55/404554455.db2.gz OCUKVJDDRLSGCH-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO CC(C)OCCN(C)CCN1CCN(Cc2ccccc2)CC1 ZINC000352705074 404563641 /nfs/dbraw/zinc/56/36/41/404563641.db2.gz NOUVFJMJXNDUGM-UHFFFAOYSA-N 1 3 319.493 2.161 20 0 DEADHO COCC[NH+]1CCC(N[C@@H](c2cnn(C)c2)C(C)(C)C)CC1 ZINC000342547460 404644294 /nfs/dbraw/zinc/64/42/94/404644294.db2.gz SWMHSZQFVDLKCG-INIZCTEOSA-N 1 3 308.470 2.208 20 0 DEADHO CN1CCC(C[NH2+]CC2CCCCCC2)(N2CCOCC2)CC1 ZINC000414485162 404650469 /nfs/dbraw/zinc/65/04/69/404650469.db2.gz PBLVJJYECCHKMB-UHFFFAOYSA-N 1 3 323.525 2.343 20 0 DEADHO C[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000365347417 404626870 /nfs/dbraw/zinc/62/68/70/404626870.db2.gz HBZUVIVYXOMQPN-CQSZACIVSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414561775 404682488 /nfs/dbraw/zinc/68/24/88/404682488.db2.gz ZTTWBNZPTIEQBS-KBXCAEBGSA-N 1 3 315.461 2.130 20 0 DEADHO CC(C)[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414671953 404704822 /nfs/dbraw/zinc/70/48/22/404704822.db2.gz HBMYIVWJQXTBJN-MRXNPFEDSA-N 1 3 321.440 2.233 20 0 DEADHO CC(C)[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414671953 404704824 /nfs/dbraw/zinc/70/48/24/404704824.db2.gz HBMYIVWJQXTBJN-MRXNPFEDSA-N 1 3 321.440 2.233 20 0 DEADHO C[C@@H]1C[C@H](CN2CCN(Cc3cccc(F)c3)CC2)CC[NH2+]1 ZINC000414671848 404705203 /nfs/dbraw/zinc/70/52/03/404705203.db2.gz GUMWUUBHXKGFCU-NVXWUHKLSA-N 1 3 305.441 2.331 20 0 DEADHO Cc1ccc([C@@H](C)[N@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414673190 404705240 /nfs/dbraw/zinc/70/52/40/404705240.db2.gz IRQGVPQSGMJGMO-CVEARBPZSA-N 1 3 303.450 2.185 20 0 DEADHO Cc1ccc([C@@H](C)[N@@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414673190 404705243 /nfs/dbraw/zinc/70/52/43/404705243.db2.gz IRQGVPQSGMJGMO-CVEARBPZSA-N 1 3 303.450 2.185 20 0 DEADHO COc1cc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)cc(OC)c1O ZINC000414662141 404703466 /nfs/dbraw/zinc/70/34/66/404703466.db2.gz YSIPIZQXXCNAMR-HNNXBMFYSA-N 1 3 320.433 2.373 20 0 DEADHO CCC(N)(CC)C[NH2+][C@@H](C)Cn1cc(Br)cn1 ZINC000414807243 404739564 /nfs/dbraw/zinc/73/95/64/404739564.db2.gz IVXSVALEYPXZTJ-JTQLQIEISA-N 1 3 303.248 2.141 20 0 DEADHO COC(=O)[C@H](C)Oc1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000414809838 404740040 /nfs/dbraw/zinc/74/00/40/404740040.db2.gz UQGJKTGPWNXPKV-QRTARXTBSA-N 1 3 320.433 2.234 20 0 DEADHO NC[C@@H]1CCC[C@H]1[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000414813653 404740421 /nfs/dbraw/zinc/74/04/21/404740421.db2.gz YOGWLFMXYYFQMR-PKOBYXMFSA-N 1 3 301.478 2.411 20 0 DEADHO CN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CCN(C)CC1 ZINC000365907427 404742990 /nfs/dbraw/zinc/74/29/90/404742990.db2.gz KDWBEFLOOJETEL-OAHLLOKOSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CCN(C)CC1 ZINC000365907427 404742994 /nfs/dbraw/zinc/74/29/94/404742994.db2.gz KDWBEFLOOJETEL-OAHLLOKOSA-N 1 3 307.482 2.194 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)N[C@H](C[NH3+])CC(C)C)c1 ZINC000414830753 404743963 /nfs/dbraw/zinc/74/39/63/404743963.db2.gz BNSCNBWOIDSARR-ZFWWWQNUSA-N 1 3 307.438 2.375 20 0 DEADHO Clc1ccc(OCC2CC2)c(CNCCN2CC[NH2+]CC2)c1 ZINC000414879347 404756303 /nfs/dbraw/zinc/75/63/03/404756303.db2.gz IOJKGSALLPATSV-UHFFFAOYSA-N 1 3 323.868 2.124 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC[C@@]1(C)CCC[NH2+]C1 ZINC000414898633 404761681 /nfs/dbraw/zinc/76/16/81/404761681.db2.gz BOJVNTRTTFSPMU-NEWSRXKRSA-N 1 3 301.478 2.486 20 0 DEADHO COc1cccc(NC(=O)C[C@@H](C)NCC[C@H]2CCC[NH2+]2)c1 ZINC000414909576 404764426 /nfs/dbraw/zinc/76/44/26/404764426.db2.gz STUYKPOPJZJOHV-ZIAGYGMSSA-N 1 3 305.422 2.144 20 0 DEADHO C[C@@H]1C[C@H](CN(C)[C@@H]2CCN(c3ccccc3F)C2=O)CC[NH2+]1 ZINC000414745807 404722821 /nfs/dbraw/zinc/72/28/21/404722821.db2.gz RKQWFARWJSYDSQ-CKEIUWERSA-N 1 3 319.424 2.251 20 0 DEADHO C[C@@H]1CC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)CC12CCCCC2 ZINC000414759496 404725586 /nfs/dbraw/zinc/72/55/86/404725586.db2.gz OMBOSZBTEPGDGE-IAGOWNOFSA-N 1 3 321.509 2.476 20 0 DEADHO C[C@@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)CC12CCCCC2 ZINC000414759496 404725588 /nfs/dbraw/zinc/72/55/88/404725588.db2.gz OMBOSZBTEPGDGE-IAGOWNOFSA-N 1 3 321.509 2.476 20 0 DEADHO C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357093298 404726815 /nfs/dbraw/zinc/72/68/15/404726815.db2.gz XYGFTXHYBIRSJU-INMHGKMJSA-N 1 3 307.482 2.097 20 0 DEADHO COC[C@@]1(C[NH2+][C@H](C)CCc2ccc(OC)cc2)CCCN1 ZINC000414954706 404775579 /nfs/dbraw/zinc/77/55/79/404775579.db2.gz LWVMFHKWIUFEJX-QAPCUYQASA-N 1 3 306.450 2.375 20 0 DEADHO CC[C@@H]([NH3+])CNCc1ccccc1N(C)C1CCN(C)CC1 ZINC000414972562 404779572 /nfs/dbraw/zinc/77/95/72/404779572.db2.gz ARUQELCSUNVGMQ-MRXNPFEDSA-N 1 3 304.482 2.044 20 0 DEADHO CC(C)[C@@H](C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)N(C)C ZINC000359241678 404788195 /nfs/dbraw/zinc/78/81/95/404788195.db2.gz HHIJBECWAFEUFR-XHSDSOJGSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)[C@@H](C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)N(C)C ZINC000359241678 404788197 /nfs/dbraw/zinc/78/81/97/404788197.db2.gz HHIJBECWAFEUFR-XHSDSOJGSA-N 1 3 311.514 2.445 20 0 DEADHO COc1ccc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000415137692 404816935 /nfs/dbraw/zinc/81/69/35/404816935.db2.gz YFUTYIVMXBYGAX-ZWKOTPCHSA-N 1 3 304.434 2.414 20 0 DEADHO Cc1ccc(NC(=O)NC[C@@H]([NH3+])C(C)C)c(OCCN(C)C)c1 ZINC000415199241 404826328 /nfs/dbraw/zinc/82/63/28/404826328.db2.gz DGMILCXIWVCFPT-CQSZACIVSA-N 1 3 322.453 2.040 20 0 DEADHO C[NH2+]C[C@H](C)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000423833843 404879920 /nfs/dbraw/zinc/87/99/20/404879920.db2.gz BWOZWMYBCGCKSC-HNNXBMFYSA-N 1 3 318.465 2.011 20 0 DEADHO CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1ccccc1CCN(C)C ZINC000415561061 404884356 /nfs/dbraw/zinc/88/43/56/404884356.db2.gz GCUOUOOCJKMKQR-QGZVFWFLSA-N 1 3 306.454 2.286 20 0 DEADHO C[C@@H]1CCN(C(=O)Nc2ccccc2CCN(C)C)C[C@@H]1C[NH3+] ZINC000415584853 404889604 /nfs/dbraw/zinc/88/96/04/404889604.db2.gz WWZWKESYEGZVTQ-ZBFHGGJFSA-N 1 3 318.465 2.239 20 0 DEADHO CC(C)N1CCN(c2cccc(NC(=O)[C@@H](C)[C@H](C)[NH3+])c2)CC1 ZINC000423855453 404892059 /nfs/dbraw/zinc/89/20/59/404892059.db2.gz WUTUYZGCTHIRAA-GJZGRUSLSA-N 1 3 318.465 2.139 20 0 DEADHO C[C@H]([NH2+]C[C@H](CO)C1CC1)c1ccc(OCCN(C)C)cc1 ZINC000353509036 404851989 /nfs/dbraw/zinc/85/19/89/404851989.db2.gz IMRIWZKJGOBEJC-WMLDXEAASA-N 1 3 306.450 2.296 20 0 DEADHO COC[C@@H](C)NC(=[NH2+])NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000366819650 404852781 /nfs/dbraw/zinc/85/27/81/404852781.db2.gz NHZUOFJOPZSVEJ-QAPCUYQASA-N 1 3 318.465 2.047 20 0 DEADHO CSC1(CNCc2cnn(CC(F)F)c2)CC[NH+](C)CC1 ZINC000353558940 404865408 /nfs/dbraw/zinc/86/54/08/404865408.db2.gz YVNISVPYXULZIT-UHFFFAOYSA-N 1 3 318.437 2.065 20 0 DEADHO CCCC[N@H+](C)CCNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415879973 404960470 /nfs/dbraw/zinc/96/04/70/404960470.db2.gz DHGYGNLYUKHUKR-UHFFFAOYSA-N 1 3 304.438 2.186 20 0 DEADHO CCCC[N@@H+](C)CCNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415879973 404960474 /nfs/dbraw/zinc/96/04/74/404960474.db2.gz DHGYGNLYUKHUKR-UHFFFAOYSA-N 1 3 304.438 2.186 20 0 DEADHO CCN(CCC[NH+](C)C)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415891508 404963559 /nfs/dbraw/zinc/96/35/59/404963559.db2.gz GRCNLXRRRMFHAF-UHFFFAOYSA-N 1 3 304.438 2.138 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000361082922 404909427 /nfs/dbraw/zinc/90/94/27/404909427.db2.gz WUFLZQKZVUSXGL-DNVCBOLYSA-N 1 3 317.477 2.385 20 0 DEADHO CNCc1ccccc1NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000415913638 404970047 /nfs/dbraw/zinc/97/00/47/404970047.db2.gz QCGIMFYYZAYBFE-UHFFFAOYSA-N 1 3 304.438 2.402 20 0 DEADHO CNCc1ccccc1NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000415913638 404970051 /nfs/dbraw/zinc/97/00/51/404970051.db2.gz QCGIMFYYZAYBFE-UHFFFAOYSA-N 1 3 304.438 2.402 20 0 DEADHO NC1(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCCCC1 ZINC000423898294 404918835 /nfs/dbraw/zinc/91/88/35/404918835.db2.gz ICXDPEWNLVHMIQ-ZBFHGGJFSA-N 1 3 305.466 2.123 20 0 DEADHO NC1(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCCCC1 ZINC000423898294 404918838 /nfs/dbraw/zinc/91/88/38/404918838.db2.gz ICXDPEWNLVHMIQ-ZBFHGGJFSA-N 1 3 305.466 2.123 20 0 DEADHO C[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)[C@@H](C[NH3+])C1 ZINC000416806506 404919067 /nfs/dbraw/zinc/91/90/67/404919067.db2.gz MIKAQMPZRZHGPT-OIISXLGYSA-N 1 3 318.465 2.058 20 0 DEADHO CCC([NH3+])(CC)CNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000416813595 404921822 /nfs/dbraw/zinc/92/18/22/404921822.db2.gz USHLDBMSCRTUCE-HNNXBMFYSA-N 1 3 306.454 2.106 20 0 DEADHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000416816915 404923202 /nfs/dbraw/zinc/92/32/02/404923202.db2.gz XQNGWKJHEKZNTR-HOTGVXAUSA-N 1 3 306.454 2.106 20 0 DEADHO C[C@H](C[NH3+])NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000416830402 404926509 /nfs/dbraw/zinc/92/65/09/404926509.db2.gz GWTWTAFYVMTSMN-KGLIPLIRSA-N 1 3 324.494 2.168 20 0 DEADHO CC(C)(CNC(=O)N1CCC2(C1)CC[NH2+]CC2)N1CCCCC1 ZINC000416836834 404929543 /nfs/dbraw/zinc/92/95/43/404929543.db2.gz WFKBTVUQAXVBDG-UHFFFAOYSA-N 1 3 322.497 2.036 20 0 DEADHO CCN(CC)[C@H](CNC(=O)NC[C@H]([NH3+])C1CC1)c1ccccc1 ZINC000416844064 404931788 /nfs/dbraw/zinc/93/17/88/404931788.db2.gz PLKIOWHWGILUQZ-DLBZAZTESA-N 1 3 318.465 2.106 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)NC1CC[NH+](CC)CC1 ZINC000416855057 404938097 /nfs/dbraw/zinc/93/80/97/404938097.db2.gz PSLUIFSLKQDWIH-KRWDZBQOSA-N 1 3 318.465 2.032 20 0 DEADHO CCN1CCC(NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000416860290 404939600 /nfs/dbraw/zinc/93/96/00/404939600.db2.gz VPFHYRCODAXECO-DOTOQJQBSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H]1NCCN(C(=O)NCCC[N@H+](C)C2CCCCC2)[C@H]1C ZINC000417023146 405005279 /nfs/dbraw/zinc/00/52/79/405005279.db2.gz VOQHHHBFUPYYOZ-GJZGRUSLSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1NCCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC000417023146 405005283 /nfs/dbraw/zinc/00/52/83/405005283.db2.gz VOQHHHBFUPYYOZ-GJZGRUSLSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@@H]3C[C@@H]3N)cc2)C1 ZINC000424133436 405016999 /nfs/dbraw/zinc/01/69/99/405016999.db2.gz MJELZAVWCJFPPL-DTDBQYNISA-N 1 3 315.461 2.128 20 0 DEADHO C[C@H]1CCN(C(=O)NCc2cccc(CN(C)C)c2)[C@@H](C[NH3+])C1 ZINC000417068129 405024938 /nfs/dbraw/zinc/02/49/38/405024938.db2.gz MZSGPQQCBYAEFM-WMLDXEAASA-N 1 3 318.465 2.017 20 0 DEADHO CCCN(CCN(C)C)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416150465 405038006 /nfs/dbraw/zinc/03/80/06/405038006.db2.gz KEJDMBZHCHNDKJ-QGZVFWFLSA-N 1 3 305.466 2.480 20 0 DEADHO CCN1CCC(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416122242 405027870 /nfs/dbraw/zinc/02/78/70/405027870.db2.gz IRJDWMHBHDGTRY-QGZVFWFLSA-N 1 3 303.450 2.280 20 0 DEADHO C[C@@H](CCNC(=O)[C@H]1C[C@H](C)CCN1)[N@H+](C)Cc1ccccc1 ZINC000379680375 405030050 /nfs/dbraw/zinc/03/00/50/405030050.db2.gz MEJJAJYOHJAQNE-SOLBZPMBSA-N 1 3 317.477 2.401 20 0 DEADHO C[C@@H](CCNC(=O)[C@H]1C[C@H](C)CCN1)[N@@H+](C)Cc1ccccc1 ZINC000379680375 405030053 /nfs/dbraw/zinc/03/00/53/405030053.db2.gz MEJJAJYOHJAQNE-SOLBZPMBSA-N 1 3 317.477 2.401 20 0 DEADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000379677485 405030076 /nfs/dbraw/zinc/03/00/76/405030076.db2.gz CQFNRFOPGPVVRZ-FZCLSBEQSA-N 1 3 315.461 2.154 20 0 DEADHO CNCc1cccc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000415931082 404975251 /nfs/dbraw/zinc/97/52/51/404975251.db2.gz LMXROPMCPTXJIX-JKSUJKDBSA-N 1 3 302.422 2.154 20 0 DEADHO CNCc1cccc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000415931082 404975254 /nfs/dbraw/zinc/97/52/54/404975254.db2.gz LMXROPMCPTXJIX-JKSUJKDBSA-N 1 3 302.422 2.154 20 0 DEADHO CN(c1ccccc1CN1CCC[NH2+]CC1)C1CCN(C)CC1 ZINC000435374614 404975372 /nfs/dbraw/zinc/97/53/72/404975372.db2.gz RFRGVVDPQPSMRK-UHFFFAOYSA-N 1 3 316.493 2.012 20 0 DEADHO C[C@H](c1ccccc1)N(C)C(=O)CN1CCC(CC[NH3+])CC1 ZINC000387488977 405035435 /nfs/dbraw/zinc/03/54/35/405035435.db2.gz WMZIIDZIRGYSFB-OAHLLOKOSA-N 1 3 303.450 2.267 20 0 DEADHO C[C@@H]1CCN(C)CCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000354005403 404996510 /nfs/dbraw/zinc/99/65/10/404996510.db2.gz GGVGQNDJPMWXAP-MRXNPFEDSA-N 1 3 315.461 2.449 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@@H]1C[NH3+])c1ccsc1 ZINC000417011496 405000125 /nfs/dbraw/zinc/00/01/25/405000125.db2.gz RZXWVZGQYJCTDT-CABCVRRESA-N 1 3 324.494 2.264 20 0 DEADHO CN(C)C1(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000416302268 405094534 /nfs/dbraw/zinc/09/45/34/405094534.db2.gz NQAGNQFINDXAIF-UHFFFAOYSA-N 1 3 301.434 2.106 20 0 DEADHO Cc1cc(CN)cc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000424438846 405095013 /nfs/dbraw/zinc/09/50/13/405095013.db2.gz QPCDESBIZSEYRQ-HNNXBMFYSA-N 1 3 316.449 2.403 20 0 DEADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc3c[nH]nc3c2)C1 ZINC000354088263 405039108 /nfs/dbraw/zinc/03/91/08/405039108.db2.gz NBUHLOFHSHWUDA-QGZVFWFLSA-N 1 3 316.449 2.496 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000389934952 405041895 /nfs/dbraw/zinc/04/18/95/405041895.db2.gz MPPQYXSXOZVXCB-NXHRZFHOSA-N 1 3 315.461 2.155 20 0 DEADHO COC(=O)c1ccc(CN2CC3(C[C@H]2C)CC[NH2+]CC3)s1 ZINC000424283168 405057588 /nfs/dbraw/zinc/05/75/88/405057588.db2.gz AXDFEDQZUUNFPR-GFCCVEGCSA-N 1 3 308.447 2.499 20 0 DEADHO COC(=O)c1ccc(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)s1 ZINC000424283169 405057921 /nfs/dbraw/zinc/05/79/21/405057921.db2.gz AXDFEDQZUUNFPR-LBPRGKRZSA-N 1 3 308.447 2.499 20 0 DEADHO Cc1ccsc1CNC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424299876 405063239 /nfs/dbraw/zinc/06/32/39/405063239.db2.gz WCEOVXDTQJMCJV-CQSZACIVSA-N 1 3 321.490 2.137 20 0 DEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCNC(=O)CCCc1ccccc1 ZINC000424315405 405067614 /nfs/dbraw/zinc/06/76/14/405067614.db2.gz CCQDZWCGXCZBBC-AEFFLSMTSA-N 1 3 317.477 2.055 20 0 DEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCNC(=O)CCCc1ccccc1 ZINC000424315405 405067618 /nfs/dbraw/zinc/06/76/18/405067618.db2.gz CCQDZWCGXCZBBC-AEFFLSMTSA-N 1 3 317.477 2.055 20 0 DEADHO Cc1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)c(Cl)c1 ZINC000568346294 292332249 /nfs/dbraw/zinc/33/22/49/292332249.db2.gz LOMTZCZZNGVKJA-UHFFFAOYSA-N 1 3 311.857 2.214 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCN[C@@H](C)[C@H]2C)C1 ZINC000417225408 405068009 /nfs/dbraw/zinc/06/80/09/405068009.db2.gz XMMWFLFTIXHAOF-XUWVNRHRSA-N 1 3 324.513 2.135 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCN[C@@H](C)[C@H]2C)C1 ZINC000417225408 405068012 /nfs/dbraw/zinc/06/80/12/405068012.db2.gz XMMWFLFTIXHAOF-XUWVNRHRSA-N 1 3 324.513 2.135 20 0 DEADHO C[C@H](C(=O)N1CCCC[C@@H]1C[NH+](C)C)[C@@H](N)c1ccccc1 ZINC000404909929 405069419 /nfs/dbraw/zinc/06/94/19/405069419.db2.gz BLLDTIPHKYSGDT-USXIJHARSA-N 1 3 303.450 2.265 20 0 DEADHO CN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1N)[C@@H]1CCCc2ccccc21 ZINC000424331806 405069924 /nfs/dbraw/zinc/06/99/24/405069924.db2.gz JYCAYISFRJGWNW-KZNAEPCWSA-N 1 3 315.461 2.382 20 0 DEADHO COc1ccccc1[C@@H](C)N(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424336857 405071494 /nfs/dbraw/zinc/07/14/94/405071494.db2.gz RFTCKDRREZEERB-FVQBIDKESA-N 1 3 319.449 2.074 20 0 DEADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)N(C)C)cc1 ZINC000417317900 405085622 /nfs/dbraw/zinc/08/56/22/405085622.db2.gz XOFADRFNOJJOCU-XIRDDKMYSA-N 1 3 318.465 2.024 20 0 DEADHO C[NH2+]CCC1CCN(C(=O)NC[C@H](C)N2CCC(C)CC2)CC1 ZINC000417311675 405086620 /nfs/dbraw/zinc/08/66/20/405086620.db2.gz MHKHHPFENDLMGB-INIZCTEOSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H]1CCN(C(=O)NCCN2[C@H](C)CCC[C@H]2C)[C@H](C[NH3+])C1 ZINC000417526838 405090807 /nfs/dbraw/zinc/09/08/07/405090807.db2.gz CQVOHEIMDOSFIS-FPCVCCKLSA-N 1 3 310.486 2.018 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CN(CC)C[C@@H]2C)[C@@H](C)C1 ZINC000361483320 405093608 /nfs/dbraw/zinc/09/36/08/405093608.db2.gz DEMXLAJUZAAOMY-XLAORIBOSA-N 1 3 311.514 2.053 20 0 DEADHO OC1(CCNC2CC[NH+](C3CCCCC3)CC2)CCOCC1 ZINC000367707423 405130463 /nfs/dbraw/zinc/13/04/63/405130463.db2.gz MDDXGJLISNDUIB-UHFFFAOYSA-N 1 3 310.482 2.305 20 0 DEADHO OC1(CC[NH2+]C2CCN(C3CCCCC3)CC2)CCOCC1 ZINC000367707423 405130469 /nfs/dbraw/zinc/13/04/69/405130469.db2.gz MDDXGJLISNDUIB-UHFFFAOYSA-N 1 3 310.482 2.305 20 0 DEADHO CCCN(C(=O)NC[C@H]1CCCCN1C1CC1)C1CC[NH2+]CC1 ZINC000418120120 405113221 /nfs/dbraw/zinc/11/32/21/405113221.db2.gz VBVGGEVKMUZURH-QGZVFWFLSA-N 1 3 322.497 2.177 20 0 DEADHO CC[C@H](C)[NH2+][C@H](CNC(=O)N1C[C@@H](C)NC[C@H]1C)c1ccco1 ZINC000418170808 405114436 /nfs/dbraw/zinc/11/44/36/405114436.db2.gz SNZYBYFKNLBINZ-GBJTYRQASA-N 1 3 322.453 2.101 20 0 DEADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418669348 405159962 /nfs/dbraw/zinc/15/99/62/405159962.db2.gz PHSCYWLDFLVTSC-JYJNAYRXSA-N 1 3 324.513 2.123 20 0 DEADHO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(Nc4ccncc4)cc3)C[C@@H]21 ZINC000453026115 405275952 /nfs/dbraw/zinc/27/59/52/405275952.db2.gz FNOBXWQGLLVNSY-QAPCUYQASA-N 1 3 322.412 2.023 20 0 DEADHO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(Nc4ccncc4)cc3)C[C@@H]21 ZINC000453026115 405275955 /nfs/dbraw/zinc/27/59/55/405275955.db2.gz FNOBXWQGLLVNSY-QAPCUYQASA-N 1 3 322.412 2.023 20 0 DEADHO CC[C@@H](CN1CCN(CC[N@H+](C)Cc2ccccc2)CC1)OC ZINC000419210774 405228638 /nfs/dbraw/zinc/22/86/38/405228638.db2.gz VOLDPODSWPENIB-IBGZPJMESA-N 1 3 319.493 2.161 20 0 DEADHO CC[C@@H](CN1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)OC ZINC000419210774 405228642 /nfs/dbraw/zinc/22/86/42/405228642.db2.gz VOLDPODSWPENIB-IBGZPJMESA-N 1 3 319.493 2.161 20 0 DEADHO CC[C@H](N)C(=O)N(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000368453915 405240372 /nfs/dbraw/zinc/24/03/72/405240372.db2.gz NIEFOMXZMFGZJH-PVAVHDDUSA-N 1 3 303.450 2.408 20 0 DEADHO CC[C@H](N)C(=O)N(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000368453915 405240376 /nfs/dbraw/zinc/24/03/76/405240376.db2.gz NIEFOMXZMFGZJH-PVAVHDDUSA-N 1 3 303.450 2.408 20 0 DEADHO O=C([C@@H]1CCCN1C1CCCC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000438557338 405251057 /nfs/dbraw/zinc/25/10/57/405251057.db2.gz KKYZHPLGESMQSP-ROUUACIJSA-N 1 3 319.493 2.480 20 0 DEADHO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCC[C@H](N2CCCC2)C1 ZINC000438557338 405251059 /nfs/dbraw/zinc/25/10/59/405251059.db2.gz KKYZHPLGESMQSP-ROUUACIJSA-N 1 3 319.493 2.480 20 0 DEADHO O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCC[C@H](N2CCCC2)C1 ZINC000438557338 405251060 /nfs/dbraw/zinc/25/10/60/405251060.db2.gz KKYZHPLGESMQSP-ROUUACIJSA-N 1 3 319.493 2.480 20 0 DEADHO Cc1cc(N2CCN(CC[C@H]3CC[NH2+]C3)CC2)nc(C(C)C)n1 ZINC000420299531 405310730 /nfs/dbraw/zinc/31/07/30/405310730.db2.gz IWPMHFUDUGAFBX-MRXNPFEDSA-N 1 3 317.481 2.030 20 0 DEADHO COc1ccc([C@@H](C[NH3+])CN2CCC(n3ccnc3)CC2)cc1 ZINC000420309268 405313596 /nfs/dbraw/zinc/31/35/96/405313596.db2.gz DULIBPJMMQEXSA-INIZCTEOSA-N 1 3 314.433 2.271 20 0 DEADHO COc1ccc([C@@H](CN)C[NH+]2CCC(n3ccnc3)CC2)cc1 ZINC000420309268 405313597 /nfs/dbraw/zinc/31/35/97/405313597.db2.gz DULIBPJMMQEXSA-INIZCTEOSA-N 1 3 314.433 2.271 20 0 DEADHO CN(C)C(=O)CC[N@@H+]1CCCC[C@H]1[C@@H](CN)Cc1ccccc1 ZINC000420309913 405314560 /nfs/dbraw/zinc/31/45/60/405314560.db2.gz LRZCEMVORFUOAX-MSOLQXFVSA-N 1 3 317.477 2.137 20 0 DEADHO CN(C)C(=O)CC[N@H+]1CCCC[C@H]1[C@@H](CN)Cc1ccccc1 ZINC000420309913 405314563 /nfs/dbraw/zinc/31/45/63/405314563.db2.gz LRZCEMVORFUOAX-MSOLQXFVSA-N 1 3 317.477 2.137 20 0 DEADHO COC(=O)CCN1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000420316542 405316810 /nfs/dbraw/zinc/31/68/10/405316810.db2.gz SXTGSVADPLXNOJ-SJORKVTESA-N 1 3 304.434 2.222 20 0 DEADHO COC(=O)CC[N@@H+]1CCCC[C@H]1[C@@H](CN)Cc1ccccc1 ZINC000420316542 405316812 /nfs/dbraw/zinc/31/68/12/405316812.db2.gz SXTGSVADPLXNOJ-SJORKVTESA-N 1 3 304.434 2.222 20 0 DEADHO COC(=O)CC[N@H+]1CCCC[C@H]1[C@@H](CN)Cc1ccccc1 ZINC000420316542 405316813 /nfs/dbraw/zinc/31/68/13/405316813.db2.gz SXTGSVADPLXNOJ-SJORKVTESA-N 1 3 304.434 2.222 20 0 DEADHO O=C1Nc2ccccc2CC[C@@H]1N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420319521 405317986 /nfs/dbraw/zinc/31/79/86/405317986.db2.gz AKCASQQRGYWFFT-RYRKJORJSA-N 1 3 313.445 2.261 20 0 DEADHO [NH3+]C[C@H]1CN(Cc2ccc3ccccc3n2)CC12CCOCC2 ZINC000420320248 405318008 /nfs/dbraw/zinc/31/80/08/405318008.db2.gz BBVWWTKHIOWTTM-INIZCTEOSA-N 1 3 311.429 2.422 20 0 DEADHO COc1cccc(OCCN2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000420324563 405319555 /nfs/dbraw/zinc/31/95/55/405319555.db2.gz ZUQMVNKUIXPYLP-MRXNPFEDSA-N 1 3 304.434 2.396 20 0 DEADHO Cc1ccc(NC(=O)[C@@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1F ZINC000420325357 405320224 /nfs/dbraw/zinc/32/02/24/405320224.db2.gz BPQQWFKXMGTLOH-KFWWJZLASA-N 1 3 319.424 2.393 20 0 DEADHO COc1ccccc1CN1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420325431 405320233 /nfs/dbraw/zinc/32/02/33/405320233.db2.gz WKNPHPZFZXXNMA-QGZVFWFLSA-N 1 3 317.477 2.203 20 0 DEADHO CN(C)C(=O)[C@H](c1ccccc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420331943 405322776 /nfs/dbraw/zinc/32/27/76/405322776.db2.gz CHQAPCSJHBGUCU-SQNIBIBYSA-N 1 3 315.461 2.137 20 0 DEADHO CC[C@@H]1CCCCN1C(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420333832 405323189 /nfs/dbraw/zinc/32/31/89/405323189.db2.gz FVGWWSCHOHXUGP-GVDBMIGSSA-N 1 3 307.482 2.099 20 0 DEADHO [NH3+]C[C@@H]1CN(CCSc2ccccc2)CC12CCOCC2 ZINC000420333344 405323399 /nfs/dbraw/zinc/32/33/99/405323399.db2.gz SRAHDOJTYYIUNK-OAHLLOKOSA-N 1 3 306.475 2.466 20 0 DEADHO CN(CC1CCCCC1)C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420339987 405325001 /nfs/dbraw/zinc/32/50/01/405325001.db2.gz ZOUFQRLOMRNQQO-MSOLQXFVSA-N 1 3 321.509 2.347 20 0 DEADHO NC[C@H]1C[N@H+](CCCc2cccc(F)c2)CC12CCOCC2 ZINC000420338946 405325116 /nfs/dbraw/zinc/32/51/16/405325116.db2.gz YJORRUIQWKBPPZ-INIZCTEOSA-N 1 3 306.425 2.446 20 0 DEADHO NC[C@H]1C[N@@H+](CCCc2cccc(F)c2)CC12CCOCC2 ZINC000420338946 405325119 /nfs/dbraw/zinc/32/51/19/405325119.db2.gz YJORRUIQWKBPPZ-INIZCTEOSA-N 1 3 306.425 2.446 20 0 DEADHO CN(C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)C1CCCCC1 ZINC000420341441 405325909 /nfs/dbraw/zinc/32/59/09/405325909.db2.gz OMILWLBPJKZXSH-CVEARBPZSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H](C(=O)NCc1cccs1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420342561 405326331 /nfs/dbraw/zinc/32/63/31/405326331.db2.gz POXCOEHYSDYTGZ-KFWWJZLASA-N 1 3 321.490 2.074 20 0 DEADHO C[C@H](C(=O)Nc1ccccc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420346764 405327897 /nfs/dbraw/zinc/32/78/97/405327897.db2.gz YZSAYYLVXLQMNI-OAGGEKHMSA-N 1 3 301.434 2.335 20 0 DEADHO COc1ccc(CCN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000420374667 405336869 /nfs/dbraw/zinc/33/68/69/405336869.db2.gz HVUPGUGIBCEXCG-RTBURBONSA-N 1 3 318.461 2.456 20 0 DEADHO C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)N1CCCC[C@H]1C ZINC000443625066 405339423 /nfs/dbraw/zinc/33/94/23/405339423.db2.gz HJJHIKDZCHEAHW-VQHPVUNQSA-N 1 3 324.513 2.231 20 0 DEADHO C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)N1CCCC[C@H]1C ZINC000443625066 405339426 /nfs/dbraw/zinc/33/94/26/405339426.db2.gz HJJHIKDZCHEAHW-VQHPVUNQSA-N 1 3 324.513 2.231 20 0 DEADHO Fc1ccc(C2(NCCN3CC[NH2+]CC3)CCCC2)c(F)c1 ZINC000420409761 405346191 /nfs/dbraw/zinc/34/61/91/405346191.db2.gz QUFRJUSTZXERCO-UHFFFAOYSA-N 1 3 309.404 2.229 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000454486194 405352527 /nfs/dbraw/zinc/35/25/27/405352527.db2.gz NZOBSQOFCDMGPI-KRWDZBQOSA-N 1 3 322.497 2.177 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)NC(C)(C)C[NH+](C)C ZINC000455234767 405390000 /nfs/dbraw/zinc/39/00/00/405390000.db2.gz WCGYBOFLLYZKKJ-UHFFFAOYSA-N 1 3 306.454 2.252 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]CC[C@@H](C)OC)CC1 ZINC000446980845 405398051 /nfs/dbraw/zinc/39/80/51/405398051.db2.gz MMAMKMINKDIAIO-MRXNPFEDSA-N 1 3 305.466 2.343 20 0 DEADHO O=C(C[C@H]1CCC[NH2+]CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000427322618 405399438 /nfs/dbraw/zinc/39/94/38/405399438.db2.gz UFPXDPRWPWDTEV-WMZOPIPTSA-N 1 3 315.461 2.157 20 0 DEADHO CCN(Cc1ccc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1)C1CC1 ZINC000427575513 405413001 /nfs/dbraw/zinc/41/30/01/405413001.db2.gz VCOXYQCKSSLSEG-KSSFIOAISA-N 1 3 315.461 2.399 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000447966311 405420126 /nfs/dbraw/zinc/42/01/26/405420126.db2.gz KGNDBWPLNPGFFZ-XHSDSOJGSA-N 1 3 322.497 2.033 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000447966311 405420128 /nfs/dbraw/zinc/42/01/28/405420128.db2.gz KGNDBWPLNPGFFZ-XHSDSOJGSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000454629613 405375013 /nfs/dbraw/zinc/37/50/13/405375013.db2.gz ZOUVBRFUNFUXNP-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000454629613 405375014 /nfs/dbraw/zinc/37/50/14/405375014.db2.gz ZOUVBRFUNFUXNP-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000454652733 405376300 /nfs/dbraw/zinc/37/63/00/405376300.db2.gz WLCSGFNCHIQQDY-HOTGVXAUSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](CN(C)C)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455854643 405455982 /nfs/dbraw/zinc/45/59/82/405455982.db2.gz NHBIVXJYTSDCFL-BLLLJJGKSA-N 1 3 304.438 2.307 20 0 DEADHO CC(C)[C@H]([NH3+])CCN(C)CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000430567474 405458664 /nfs/dbraw/zinc/45/86/64/405458664.db2.gz AWUYAWFLLGZERT-CQSZACIVSA-N 1 3 321.421 2.049 20 0 DEADHO CC[NH2+]CC1CCN([C@H](C)C(=O)NCc2ccc(C)cc2)CC1 ZINC000430566756 405458862 /nfs/dbraw/zinc/45/88/62/405458862.db2.gz SRTJUOMCEZRNAZ-MRXNPFEDSA-N 1 3 317.477 2.321 20 0 DEADHO C[C@@H]([NH3+])[C@H]1CCCN(CCCOc2ccc3c(c2)OCO3)C1 ZINC000430584743 405461653 /nfs/dbraw/zinc/46/16/53/405461653.db2.gz PZGKMTUPRSAKIV-KGLIPLIRSA-N 1 3 306.406 2.243 20 0 DEADHO CC[NH2+]CC1CCN(CC(=O)N([C@H](C)C2CC2)C2CC2)CC1 ZINC000430596760 405464587 /nfs/dbraw/zinc/46/45/87/405464587.db2.gz PFBJSMXKNUJHQI-CQSZACIVSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC2(CC(N)=O)CC2)CC1 ZINC000421347125 405466413 /nfs/dbraw/zinc/46/64/13/405466413.db2.gz BHNVYBYLXWIJEZ-GDBMZVCRSA-N 1 3 307.482 2.275 20 0 DEADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CC2(CC(N)=O)CC2)CC1 ZINC000421347125 405466415 /nfs/dbraw/zinc/46/64/15/405466415.db2.gz BHNVYBYLXWIJEZ-GDBMZVCRSA-N 1 3 307.482 2.275 20 0 DEADHO CC[C@H](CNC(=O)C1([NH3+])CCCC1)N1CCc2ccccc2C1 ZINC000430764425 405502968 /nfs/dbraw/zinc/50/29/68/405502968.db2.gz PXXISEBVGYRHBX-QGZVFWFLSA-N 1 3 315.461 2.211 20 0 DEADHO CC(C)N1CC[C@H](N(C)C(=O)NCC[C@H](C)[NH+]2CCCCC2)C1 ZINC000458633376 405513639 /nfs/dbraw/zinc/51/36/39/405513639.db2.gz CFLCSHQNPYVJAD-IRXDYDNUSA-N 1 3 324.513 2.375 20 0 DEADHO CCC[N@@H+]1CC[C@H](CNC[C@@H](O)COCc2ccccc2F)C1 ZINC000577841569 405525052 /nfs/dbraw/zinc/52/50/52/405525052.db2.gz WWBDNETXECZETD-NVXWUHKLSA-N 1 3 324.440 2.025 20 0 DEADHO CCC[N@H+]1CC[C@H](CNC[C@@H](O)COCc2ccccc2F)C1 ZINC000577841569 405525059 /nfs/dbraw/zinc/52/50/59/405525059.db2.gz WWBDNETXECZETD-NVXWUHKLSA-N 1 3 324.440 2.025 20 0 DEADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)COCc2ccccc2F)C1 ZINC000577841569 405525068 /nfs/dbraw/zinc/52/50/68/405525068.db2.gz WWBDNETXECZETD-NVXWUHKLSA-N 1 3 324.440 2.025 20 0 DEADHO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N1CCC([C@H](C)[NH3+])CC1 ZINC000430915018 405525779 /nfs/dbraw/zinc/52/57/79/405525779.db2.gz BGAKKCQARXNBAN-QLFBSQMISA-N 1 3 315.461 2.412 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000577863390 405530141 /nfs/dbraw/zinc/53/01/41/405530141.db2.gz BCQSUARBUZWFRH-RHSMWYFYSA-N 1 3 303.450 2.095 20 0 DEADHO Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCC([C@@H](C)[NH3+])CC1 ZINC000430928845 405530597 /nfs/dbraw/zinc/53/05/97/405530597.db2.gz VAPBRYZQXFSRMX-HZPDHXFCSA-N 1 3 317.477 2.401 20 0 DEADHO C[C@H]([NH3+])C1CCN([C@@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000430936560 405534940 /nfs/dbraw/zinc/53/49/40/405534940.db2.gz ZPPKGUIOVKFIEQ-GJZGRUSLSA-N 1 3 303.450 2.093 20 0 DEADHO C[NH2+]CC1CCN([C@H](C)C(=O)N[C@@H](C)c2ccccc2C)CC1 ZINC000430953395 405543008 /nfs/dbraw/zinc/54/30/08/405543008.db2.gz BSVDPDYCJFRVSG-JKSUJKDBSA-N 1 3 317.477 2.492 20 0 DEADHO CC(C)N1CC[C@@H](N(C)C(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000458706739 405551369 /nfs/dbraw/zinc/55/13/69/405551369.db2.gz ZLMZSEIGSLVHPU-MRXNPFEDSA-N 1 3 324.513 2.233 20 0 DEADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000449549317 405607538 /nfs/dbraw/zinc/60/75/38/405607538.db2.gz WRAAVHBOYAHHCM-AWEZNQCLSA-N 1 3 305.422 2.131 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000458742940 405568128 /nfs/dbraw/zinc/56/81/28/405568128.db2.gz NSXBBNVDUYMLMX-HZPDHXFCSA-N 1 3 324.513 2.231 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000458742940 405568134 /nfs/dbraw/zinc/56/81/34/405568134.db2.gz NSXBBNVDUYMLMX-HZPDHXFCSA-N 1 3 324.513 2.231 20 0 DEADHO CCCc1csc(CNCC2CC[NH+](CCN(C)C)CC2)n1 ZINC000494038094 405632602 /nfs/dbraw/zinc/63/26/02/405632602.db2.gz NELXQDUFRYYJDQ-UHFFFAOYSA-N 1 3 324.538 2.459 20 0 DEADHO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000638735578 405639789 /nfs/dbraw/zinc/63/97/89/405639789.db2.gz PLZBSRWFPXGMPT-GDBMZVCRSA-N 1 3 307.482 2.430 20 0 DEADHO CC[N@H+](CCNC(=O)[C@@H]1CCCCN1C1CCCC1)C1CC1 ZINC000431801715 405678431 /nfs/dbraw/zinc/67/84/31/405678431.db2.gz PKENNWQIXQXJSF-KRWDZBQOSA-N 1 3 307.482 2.384 20 0 DEADHO CC[N@@H+](CCNC(=O)[C@@H]1CCCCN1C1CCCC1)C1CC1 ZINC000431801715 405678438 /nfs/dbraw/zinc/67/84/38/405678438.db2.gz PKENNWQIXQXJSF-KRWDZBQOSA-N 1 3 307.482 2.384 20 0 DEADHO CN(C[C@@H]1CCCN1C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000422043251 405658476 /nfs/dbraw/zinc/65/84/76/405658476.db2.gz WMCVKJITDULNCE-DLBZAZTESA-N 1 3 307.482 2.336 20 0 DEADHO CN(C[C@@H]1CCCN1C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000422043251 405658483 /nfs/dbraw/zinc/65/84/83/405658483.db2.gz WMCVKJITDULNCE-DLBZAZTESA-N 1 3 307.482 2.336 20 0 DEADHO CC[NH+]1CCC(N[C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)CC1 ZINC000449654677 405662606 /nfs/dbraw/zinc/66/26/06/405662606.db2.gz FIERGTRFAXWELV-BRWVUGGUSA-N 1 3 320.481 2.454 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC(C)(C)C[NH+]2CCCC2)c1 ZINC000457039503 405665991 /nfs/dbraw/zinc/66/59/91/405665991.db2.gz DOKIKSZHRQYXSW-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H](C)C[C@@H]2CCCC(=O)N2)C1 ZINC000638788460 405670222 /nfs/dbraw/zinc/67/02/22/405670222.db2.gz KIQWLNKWCFBMJH-BBWFWOEESA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H](C[NH2+]C[C@H](O)COc1ccccc1F)CN1CCCCC1 ZINC000582176426 405685788 /nfs/dbraw/zinc/68/57/88/405685788.db2.gz SRRIGVRHWDWZTP-HOTGVXAUSA-N 1 3 324.440 2.277 20 0 DEADHO CC[NH+](CC)[C@H](CN[C@H](C1CC1)[C@H]1CNCCO1)CC(C)C ZINC000422822914 405683021 /nfs/dbraw/zinc/68/30/21/405683021.db2.gz BVBJRWZPOYWIPO-RCCFBDPRSA-N 1 3 311.514 2.100 20 0 DEADHO CCN(CC)[C@H](C[NH2+][C@H](C1CC1)[C@H]1CNCCO1)CC(C)C ZINC000422822914 405683030 /nfs/dbraw/zinc/68/30/30/405683030.db2.gz BVBJRWZPOYWIPO-RCCFBDPRSA-N 1 3 311.514 2.100 20 0 DEADHO Cc1ccnc(-c2nnc([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])[n-]2)c1 ZINC000423080080 405698762 /nfs/dbraw/zinc/69/87/62/405698762.db2.gz BIHNZZNQYHXEJH-QWHCGFSZSA-N 1 3 302.426 2.343 20 0 DEADHO C[C@@H]([NH3+])CC(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000638831982 405700857 /nfs/dbraw/zinc/70/08/57/405700857.db2.gz OCVFERNHYSBVSV-MFKMUULPSA-N 1 3 317.355 2.162 20 0 DEADHO CC(C)[C@H](CO)CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423105400 405702152 /nfs/dbraw/zinc/70/21/52/405702152.db2.gz ILOMRVLJNYADDH-YXJHDRRASA-N 1 3 304.434 2.096 20 0 DEADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1cccc(CN2CCCC2=O)c1 ZINC000422959939 405693720 /nfs/dbraw/zinc/69/37/20/405693720.db2.gz UTCCDYCZGSJRBR-MAUKXSAKSA-N 1 3 315.461 2.287 20 0 DEADHO C[C@H](NCCN1CC[NH2+]CC1)c1ccc(Br)s1 ZINC000423199470 405719419 /nfs/dbraw/zinc/71/94/19/405719419.db2.gz BPZHAWGRXVTDTA-JTQLQIEISA-N 1 3 318.284 2.066 20 0 DEADHO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000638850343 405713612 /nfs/dbraw/zinc/71/36/12/405713612.db2.gz DLALWFKZUJDUEA-PBHICJAKSA-N 1 3 303.450 2.285 20 0 DEADHO CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H](C)N(C)C ZINC000459051692 405716830 /nfs/dbraw/zinc/71/68/30/405716830.db2.gz FYXDDMXIACPDHH-INIZCTEOSA-N 1 3 312.502 2.234 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000423213956 405724283 /nfs/dbraw/zinc/72/42/83/405724283.db2.gz KTOAPDGGQQFERD-ZNMIVQPWSA-N 1 3 319.449 2.390 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]CCC2CC(O)C2)CC1 ZINC000432371492 405755925 /nfs/dbraw/zinc/75/59/25/405755925.db2.gz ZNSPRUGGSIVYSL-UHFFFAOYSA-N 1 3 317.477 2.079 20 0 DEADHO C[C@H]([NH2+]CCC1CC(O)C1)c1ccc(OCCN(C)C)cc1 ZINC000432410905 405763079 /nfs/dbraw/zinc/76/30/79/405763079.db2.gz STMWXWXUDRAIJI-UQPPLGOBSA-N 1 3 306.450 2.439 20 0 DEADHO C[C@@H]1CCN[C@H](C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)C1 ZINC000423356787 405775310 /nfs/dbraw/zinc/77/53/10/405775310.db2.gz KPLIPXVNTQTUSI-BDXSIMOUSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CCN[C@H](C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)C1 ZINC000423356787 405775312 /nfs/dbraw/zinc/77/53/12/405775312.db2.gz KPLIPXVNTQTUSI-BDXSIMOUSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](N)C2CCC2)CC1 ZINC000423369896 405780797 /nfs/dbraw/zinc/78/07/97/405780797.db2.gz CLHIEOJXPJGIGQ-RDTXWAMCSA-N 1 3 315.461 2.456 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C[C@@H]2CCSC2)CC1 ZINC000494946846 405786504 /nfs/dbraw/zinc/78/65/04/405786504.db2.gz IVBBITAHCJWGDR-BBWFWOEESA-N 1 3 311.539 2.230 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C[C@@H]2CCSC2)CC1 ZINC000494946846 405786512 /nfs/dbraw/zinc/78/65/12/405786512.db2.gz IVBBITAHCJWGDR-BBWFWOEESA-N 1 3 311.539 2.230 20 0 DEADHO COC[C@]1(CN[C@@H]2CCN(C)[C@H](c3ccccc3)C2)CCC[NH2+]1 ZINC000423408378 405793486 /nfs/dbraw/zinc/79/34/86/405793486.db2.gz AGXKWKPDWSVMNZ-CEXWTWQISA-N 1 3 317.477 2.180 20 0 DEADHO CCC(C)(C)[C@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000584040576 405812994 /nfs/dbraw/zinc/81/29/94/405812994.db2.gz RJYGXUWZHMXROV-INIZCTEOSA-N 1 3 311.514 2.197 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000639006757 405818682 /nfs/dbraw/zinc/81/86/82/405818682.db2.gz ZBSTVERDBVEICX-AEFFLSMTSA-N 1 3 315.461 2.075 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CC34CC4)CC2)CC1 ZINC000584063701 405818822 /nfs/dbraw/zinc/81/88/22/405818822.db2.gz ZLXHOBNBAWYMGW-INIZCTEOSA-N 1 3 319.493 2.099 20 0 DEADHO Fc1ccc([C@H](NCCC[C@H]2CCC[NH2+]2)c2nnc[nH]2)cc1 ZINC000423483077 405821794 /nfs/dbraw/zinc/82/17/94/405821794.db2.gz PWTNHUGWWDMVSD-CABCVRRESA-N 1 3 303.385 2.155 20 0 DEADHO CN(C)Cc1ccccc1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000423493189 405825076 /nfs/dbraw/zinc/82/50/76/405825076.db2.gz BBEJNJYNSPKLCI-OAHLLOKOSA-N 1 3 324.428 2.212 20 0 DEADHO CCN1C[C@H](C)[C@H](N[C@@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)C1 ZINC000423337707 405767482 /nfs/dbraw/zinc/76/74/82/405767482.db2.gz RJJJEIDEBOVYFS-WQANXHIZSA-N 1 3 317.477 2.071 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](NC[C@H]2CSCCN2Cc2ccccc2)C1 ZINC000568781926 292367424 /nfs/dbraw/zinc/36/74/24/292367424.db2.gz AOWIIVWAZPTXRI-SQNIBIBYSA-N 1 3 319.518 2.464 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H](C[NH3+])C(C)C)N2CCCC2)cc1 ZINC000433151709 405880840 /nfs/dbraw/zinc/88/08/40/405880840.db2.gz ZVDGEBOZRCFTAQ-MSOLQXFVSA-N 1 3 317.477 2.479 20 0 DEADHO C[C@@H](NCCc1nccn1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000560966669 405881863 /nfs/dbraw/zinc/88/18/63/405881863.db2.gz HDZOOKDWEHVWBN-SJLPKXTDSA-N 1 3 312.461 2.452 20 0 DEADHO CC1([NH+]2CCCC2)CCN(C(=O)[C@@H]2CCN2C2CCCC2)CC1 ZINC000636311818 405883423 /nfs/dbraw/zinc/88/34/23/405883423.db2.gz YYWALDOMLGDCBQ-KRWDZBQOSA-N 1 3 319.493 2.480 20 0 DEADHO CCc1cc(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)cc[nH+]1 ZINC000450410929 405883475 /nfs/dbraw/zinc/88/34/75/405883475.db2.gz NOMDPSBKPUDARG-RTBURBONSA-N 1 3 311.429 2.113 20 0 DEADHO CN1CC=C(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000450417209 405887417 /nfs/dbraw/zinc/88/74/17/405887417.db2.gz IQUHQYPEMVXFCF-QGZVFWFLSA-N 1 3 305.466 2.162 20 0 DEADHO CN1CC=C(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000450417209 405887420 /nfs/dbraw/zinc/88/74/20/405887420.db2.gz IQUHQYPEMVXFCF-QGZVFWFLSA-N 1 3 305.466 2.162 20 0 DEADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CN1CC[C@@H](C)C1 ZINC000561145010 405894865 /nfs/dbraw/zinc/89/48/65/405894865.db2.gz UVUWFIDLGPKSIW-MRXNPFEDSA-N 1 3 317.477 2.485 20 0 DEADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CN1CC[C@@H](C)C1 ZINC000561145010 405894870 /nfs/dbraw/zinc/89/48/70/405894870.db2.gz UVUWFIDLGPKSIW-MRXNPFEDSA-N 1 3 317.477 2.485 20 0 DEADHO Cc1ccc(S(=O)(=O)C[C@@H](C)NCCC2=CC[NH2+]CC2)cc1 ZINC000423534582 405847759 /nfs/dbraw/zinc/84/77/59/405847759.db2.gz AIHMQHCXJRRRIN-OAHLLOKOSA-N 1 3 322.474 2.057 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000423582660 405861846 /nfs/dbraw/zinc/86/18/46/405861846.db2.gz BAMSITZTFCTSDW-QGZVFWFLSA-N 1 3 301.434 2.204 20 0 DEADHO C[C@@H](CC(=O)NCc1ccc(CN(C)C)cc1)C1CC[NH2+]CC1 ZINC000423730009 405931442 /nfs/dbraw/zinc/93/14/42/405931442.db2.gz NBVZCZAAXHIWNS-HNNXBMFYSA-N 1 3 317.477 2.390 20 0 DEADHO CC1([NH+]2CCCC2)CCN(C(=O)[C@H](C2CC2)N2CCCC2)CC1 ZINC000633965718 405933559 /nfs/dbraw/zinc/93/35/59/405933559.db2.gz QUHBRGBMFWCVCY-KRWDZBQOSA-N 1 3 319.493 2.338 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000423739353 405938519 /nfs/dbraw/zinc/93/85/19/405938519.db2.gz HIPPUNAJXMSTNB-MJGOQNOKSA-N 1 3 315.461 2.096 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000423742344 405940030 /nfs/dbraw/zinc/94/00/30/405940030.db2.gz KZKPAFVRGZGHFJ-YJBOKZPZSA-N 1 3 317.477 2.485 20 0 DEADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000531302257 405940234 /nfs/dbraw/zinc/94/02/34/405940234.db2.gz LJLHSWBOZRVROP-ROUUACIJSA-N 1 3 315.461 2.061 20 0 DEADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000531302257 405940243 /nfs/dbraw/zinc/94/02/43/405940243.db2.gz LJLHSWBOZRVROP-ROUUACIJSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000423744843 405941553 /nfs/dbraw/zinc/94/15/53/405941553.db2.gz LPOQIRHZZVKSMX-IAGOWNOFSA-N 1 3 317.477 2.137 20 0 DEADHO CC[C@H](C)[C@@H](CN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)OC ZINC000639173388 405944445 /nfs/dbraw/zinc/94/44/45/405944445.db2.gz XZWLUEGVTHXNOZ-CGTJXYLNSA-N 1 3 311.514 2.148 20 0 DEADHO CC[C@H](C)[C@@H](CN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)OC ZINC000639173388 405944451 /nfs/dbraw/zinc/94/44/51/405944451.db2.gz XZWLUEGVTHXNOZ-CGTJXYLNSA-N 1 3 311.514 2.148 20 0 DEADHO C[C@@H]1C[C@H](Nc2cccc(CN3CC[C@H](O)C3)c2)CC[N@@H+]1C ZINC000639198463 405966305 /nfs/dbraw/zinc/96/63/05/405966305.db2.gz QDRYEVLKWJZUTP-OLMNPRSZSA-N 1 3 303.450 2.148 20 0 DEADHO C[C@@H]1C[C@H](Nc2cccc(CN3CC[C@H](O)C3)c2)CC[N@H+]1C ZINC000639198463 405966311 /nfs/dbraw/zinc/96/63/11/405966311.db2.gz QDRYEVLKWJZUTP-OLMNPRSZSA-N 1 3 303.450 2.148 20 0 DEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NC(C)(C)CN(C)C)C1 ZINC000457724848 405970962 /nfs/dbraw/zinc/97/09/62/405970962.db2.gz DNDYDOHWOQJCEA-HNNXBMFYSA-N 1 3 312.502 2.138 20 0 DEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NC(C)(C)CN(C)C)C1 ZINC000457724848 405970969 /nfs/dbraw/zinc/97/09/69/405970969.db2.gz DNDYDOHWOQJCEA-HNNXBMFYSA-N 1 3 312.502 2.138 20 0 DEADHO C[C@H](CC(=O)Nc1cccc(F)c1)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000531729013 405999299 /nfs/dbraw/zinc/99/92/99/405999299.db2.gz ZSTZDUQGWQPYMY-ZIAGYGMSSA-N 1 3 307.413 2.474 20 0 DEADHO C[C@H](CC(=O)Nc1cccc(F)c1)NCC[N@H+]1CC[C@@H](C)C1 ZINC000531729013 405999300 /nfs/dbraw/zinc/99/93/00/405999300.db2.gz ZSTZDUQGWQPYMY-ZIAGYGMSSA-N 1 3 307.413 2.474 20 0 DEADHO C[C@H]1CCCCN1CCC[NH2+]C1CCN(c2cnccn2)CC1 ZINC000532188333 406053047 /nfs/dbraw/zinc/05/30/47/406053047.db2.gz JVRDZVLFQDKNHJ-INIZCTEOSA-N 1 3 317.481 2.300 20 0 DEADHO CN(C)[C@H](CNC(=O)CCCC[NH+](C)C)Cc1ccccc1 ZINC000515390571 406065410 /nfs/dbraw/zinc/06/54/10/406065410.db2.gz GGKLJFKCTHNVIU-KRWDZBQOSA-N 1 3 305.466 2.007 20 0 DEADHO C[C@@H](CNC(=O)C[C@H](N)Cc1ccccc1)C[NH+]1CCCCC1 ZINC000518972090 406169536 /nfs/dbraw/zinc/16/95/36/406169536.db2.gz LTWUCMGREPQHDP-FUHWJXTLSA-N 1 3 317.477 2.185 20 0 DEADHO COc1cc(OC)c(CCN[C@H]2CCC[C@@H]([NH3+])C2)c(OC)c1 ZINC000519424877 406199220 /nfs/dbraw/zinc/19/92/20/406199220.db2.gz DUEKWNIPXPPMON-OLZOCXBDSA-N 1 3 308.422 2.114 20 0 DEADHO C[C@@H](NC(=O)CC1CCN(C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000487051255 406201665 /nfs/dbraw/zinc/20/16/65/406201665.db2.gz ZOLGEPMTSCKTGD-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](NC(=O)CC1CCN(C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000487051255 406201667 /nfs/dbraw/zinc/20/16/67/406201667.db2.gz ZOLGEPMTSCKTGD-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)NCC1CC[NH2+]CC1 ZINC000637201669 406210592 /nfs/dbraw/zinc/21/05/92/406210592.db2.gz SPBIVUFAOOGOCU-UHFFFAOYSA-N 1 3 324.513 2.284 20 0 DEADHO CC1(C)C[C@@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)CCO1 ZINC000634683075 406224248 /nfs/dbraw/zinc/22/42/48/406224248.db2.gz IYFFVQSMXSOCBG-ZWKOTPCHSA-N 1 3 318.461 2.300 20 0 DEADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)CCCC[NH3+] ZINC000569008545 292384258 /nfs/dbraw/zinc/38/42/58/292384258.db2.gz WLEANPOIRVBFPB-UHFFFAOYSA-N 1 3 318.465 2.276 20 0 DEADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCc1nnc(-c2ccccc2)o1 ZINC000536838740 406278941 /nfs/dbraw/zinc/27/89/41/406278941.db2.gz MCHMAJDCBUOSQW-DZGCQCFKSA-N 1 3 300.406 2.209 20 0 DEADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCc1nnc(-c2ccccc2)o1 ZINC000536838740 406278942 /nfs/dbraw/zinc/27/89/42/406278942.db2.gz MCHMAJDCBUOSQW-DZGCQCFKSA-N 1 3 300.406 2.209 20 0 DEADHO Cc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)c(N2CCOCC2)c1 ZINC000520252736 406279669 /nfs/dbraw/zinc/27/96/69/406279669.db2.gz FCHCMACDMBYDIU-IRXDYDNUSA-N 1 3 303.450 2.191 20 0 DEADHO C[NH+](C)CC(C)(C)NC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000637368180 406280988 /nfs/dbraw/zinc/28/09/88/406280988.db2.gz NRCNKDPZLIEFRB-OAHLLOKOSA-N 1 3 310.486 2.033 20 0 DEADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000488592547 406334107 /nfs/dbraw/zinc/33/41/07/406334107.db2.gz HUDVHGXBGBJEDP-LTIDMASMSA-N 1 3 324.513 2.088 20 0 DEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000488592547 406334109 /nfs/dbraw/zinc/33/41/09/406334109.db2.gz HUDVHGXBGBJEDP-LTIDMASMSA-N 1 3 324.513 2.088 20 0 DEADHO CC[N@H+](CCNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1)C(C)C ZINC000488685631 406338034 /nfs/dbraw/zinc/33/80/34/406338034.db2.gz NTZRMAOCAWEVTC-IXDOHACOSA-N 1 3 324.513 2.088 20 0 DEADHO CC[N@@H+](CCNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1)C(C)C ZINC000488685631 406338038 /nfs/dbraw/zinc/33/80/38/406338038.db2.gz NTZRMAOCAWEVTC-IXDOHACOSA-N 1 3 324.513 2.088 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)C1 ZINC000521462277 406350302 /nfs/dbraw/zinc/35/03/02/406350302.db2.gz DPYBJIPVRSVVRW-VNQPRFMTSA-N 1 3 302.422 2.152 20 0 DEADHO OCC1(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCCC1 ZINC000569801856 406304220 /nfs/dbraw/zinc/30/42/20/406304220.db2.gz JHZIMMFMYDYAKJ-LPHOPBHVSA-N 1 3 316.445 2.385 20 0 DEADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N[C@@H]1CCC[NH2+]C1)N(C)C ZINC000570427912 406392974 /nfs/dbraw/zinc/39/29/74/406392974.db2.gz CWNGARLUOVXXOG-ZMSDIMECSA-N 1 3 318.465 2.037 20 0 DEADHO CC[N@H+](C)C[C@H](O)CN[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000570460853 406396802 /nfs/dbraw/zinc/39/68/02/406396802.db2.gz HEIISEQRROUYEY-KZNAEPCWSA-N 1 3 320.477 2.273 20 0 DEADHO CC[N@@H+](C)C[C@H](O)CN[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000570460853 406396807 /nfs/dbraw/zinc/39/68/07/406396807.db2.gz HEIISEQRROUYEY-KZNAEPCWSA-N 1 3 320.477 2.273 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccnc(N2CCSCC2)c1 ZINC000635007116 406397815 /nfs/dbraw/zinc/39/78/15/406397815.db2.gz FARUZFFCIWXHMG-HZPDHXFCSA-N 1 3 320.506 2.242 20 0 DEADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000570562359 406409185 /nfs/dbraw/zinc/40/91/85/406409185.db2.gz BHWNMUNVDWLOPS-NWANDNLSSA-N 1 3 315.383 2.171 20 0 DEADHO Cc1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCN(C(C)C)C2)c1 ZINC000521862653 406370268 /nfs/dbraw/zinc/37/02/68/406370268.db2.gz GXOSMODUXPYKMT-MSOLQXFVSA-N 1 3 320.477 2.445 20 0 DEADHO Cc1noc([C@@H]2CC[C@H](CNC3CC[NH+](CC4CC4)CC3)O2)n1 ZINC000548018348 406469406 /nfs/dbraw/zinc/46/94/06/406469406.db2.gz OQXKJQCPQBSHGB-CVEARBPZSA-N 1 3 320.437 2.062 20 0 DEADHO C[N@@H+]1CC[C@H](CC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000635160898 406444500 /nfs/dbraw/zinc/44/45/00/406444500.db2.gz SDHMHBRFPCLIKI-GOSISDBHSA-N 1 3 315.461 2.063 20 0 DEADHO C[N@H+]1CC[C@H](CC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000635160898 406444502 /nfs/dbraw/zinc/44/45/02/406444502.db2.gz SDHMHBRFPCLIKI-GOSISDBHSA-N 1 3 315.461 2.063 20 0 DEADHO CN1CCC(Nc2ccccc2NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000524300123 406445318 /nfs/dbraw/zinc/44/53/18/406445318.db2.gz AAIOLBGALAQMFB-AWEZNQCLSA-N 1 3 316.449 2.083 20 0 DEADHO CN1CCC(Nc2ccccc2NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000524300123 406445323 /nfs/dbraw/zinc/44/53/23/406445323.db2.gz AAIOLBGALAQMFB-AWEZNQCLSA-N 1 3 316.449 2.083 20 0 DEADHO CN(CCCC[NH+]1CCCCC1)Cc1cccc(C(N)=O)c1 ZINC000640531104 406534617 /nfs/dbraw/zinc/53/46/17/406534617.db2.gz DQIOBMJWQQYTKT-UHFFFAOYSA-N 1 3 303.450 2.483 20 0 DEADHO CC(C)CC[C@@H](N)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000638063593 406551492 /nfs/dbraw/zinc/55/14/92/406551492.db2.gz WEVOXUIMCCKCIZ-MRXNPFEDSA-N 1 3 307.438 2.329 20 0 DEADHO Cn1cncc1CCC[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000571772569 406563686 /nfs/dbraw/zinc/56/36/86/406563686.db2.gz DMWWGDUKAOYIOV-KDURUIRLSA-N 1 3 324.472 2.417 20 0 DEADHO Cn1cncc1CCC[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000571772569 406563688 /nfs/dbraw/zinc/56/36/88/406563688.db2.gz DMWWGDUKAOYIOV-KDURUIRLSA-N 1 3 324.472 2.417 20 0 DEADHO Cn1cncc1CCCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000571772569 406563690 /nfs/dbraw/zinc/56/36/90/406563690.db2.gz DMWWGDUKAOYIOV-KDURUIRLSA-N 1 3 324.472 2.417 20 0 DEADHO Cn1cncc1CCCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000571772569 406563691 /nfs/dbraw/zinc/56/36/91/406563691.db2.gz DMWWGDUKAOYIOV-KDURUIRLSA-N 1 3 324.472 2.417 20 0 DEADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC000635412212 406526091 /nfs/dbraw/zinc/52/60/91/406526091.db2.gz IPFSRJXWUKSPIK-HOTGVXAUSA-N 1 3 307.482 2.099 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000641089697 406623967 /nfs/dbraw/zinc/62/39/67/406623967.db2.gz BWOKZGINZLPWKD-KRWDZBQOSA-N 1 3 324.513 2.426 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCN2C2CCCC2)C1 ZINC000635624757 406632620 /nfs/dbraw/zinc/63/26/20/406632620.db2.gz MLHOCBRYWWLLRN-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCN2C2CCCC2)C1 ZINC000635624757 406632622 /nfs/dbraw/zinc/63/26/22/406632622.db2.gz MLHOCBRYWWLLRN-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[NH+]1CCC(N2CCN(CCC[C@H]3CCOC3)CC2)CC1 ZINC000645836491 406658470 /nfs/dbraw/zinc/65/84/70/406658470.db2.gz SOHTUERDLJGOOI-SFHVURJKSA-N 1 3 323.525 2.294 20 0 DEADHO CC[NH+](CC)Cc1ccc(CNC[C@@]2(OC)CCOC2)cc1 ZINC000638310076 406689896 /nfs/dbraw/zinc/68/98/96/406689896.db2.gz VTOIYJYNMOSWAQ-SFHVURJKSA-N 1 3 306.450 2.424 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2CNCc3ccccc32)C1 ZINC000569239081 292400534 /nfs/dbraw/zinc/40/05/34/292400534.db2.gz WHJUYBCRZOZXAE-YJBOKZPZSA-N 1 3 315.461 2.064 20 0 DEADHO CN(C)C/C=C\C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000491861909 406752427 /nfs/dbraw/zinc/75/24/27/406752427.db2.gz BEKXCQJANMAMSC-WAYWQWQTSA-N 1 3 301.434 2.016 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000527826362 406764474 /nfs/dbraw/zinc/76/44/74/406764474.db2.gz HQDQMIANTJUUMB-UAGQMJEPSA-N 1 3 322.497 2.175 20 0 DEADHO [NH3+][C@H](CCC(=O)N[C@@H]1CCN(CC2CC2)C1)c1ccccc1 ZINC000645953149 406719671 /nfs/dbraw/zinc/71/96/71/406719671.db2.gz FLHPVCWWGIGCSW-IAGOWNOFSA-N 1 3 301.434 2.067 20 0 DEADHO C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000638369832 406730617 /nfs/dbraw/zinc/73/06/17/406730617.db2.gz GIBMOOYPEUTVTJ-VVLHAWIVSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)N(CC)CC ZINC000339459585 286734117 /nfs/dbraw/zinc/73/41/17/286734117.db2.gz BCECHQFBKYWRGU-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000646212946 406817955 /nfs/dbraw/zinc/81/79/55/406817955.db2.gz XFVBVKLWZIKBSC-KBPBESRZSA-N 1 3 324.444 2.025 20 0 DEADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000646408840 406858803 /nfs/dbraw/zinc/85/88/03/406858803.db2.gz MYJHLPVKHKOBOA-MSOLQXFVSA-N 1 3 315.461 2.329 20 0 DEADHO C[C@@H]([NH3+])CCC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000646410108 406859843 /nfs/dbraw/zinc/85/98/43/406859843.db2.gz QYMRAWGXBRQSMC-NVXWUHKLSA-N 1 3 303.450 2.457 20 0 DEADHO CSc1ccc(CN[C@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000641720063 406877959 /nfs/dbraw/zinc/87/79/59/406877959.db2.gz NBJJXARWKYISQM-ZDUSSCGKSA-N 1 3 309.479 2.260 20 0 DEADHO CCc1nc(C)c(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)o1 ZINC000641799685 406894748 /nfs/dbraw/zinc/89/47/48/406894748.db2.gz PAFVUUZGCUAPBT-LSDHHAIUSA-N 1 3 307.438 2.264 20 0 DEADHO CCOc1ccccc1NC(=O)CC[NH2+][C@H]1C[C@H](N)C1(C)C ZINC000641802070 406895693 /nfs/dbraw/zinc/89/56/93/406895693.db2.gz HMLUTAPVPMIDQR-GJZGRUSLSA-N 1 3 305.422 2.129 20 0 DEADHO CCOc1ccccc1NC(=O)CC[NH2+][C@@H]1C[C@@H](N)C1(C)C ZINC000641802071 406895707 /nfs/dbraw/zinc/89/57/07/406895707.db2.gz HMLUTAPVPMIDQR-HUUCEWRRSA-N 1 3 305.422 2.129 20 0 DEADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(C(=O)NC4CC4)cc3)C[C@@H]21 ZINC000647511432 407010222 /nfs/dbraw/zinc/01/02/22/407010222.db2.gz LWTGIXGKPAFLAR-RYQLBKOJSA-N 1 3 313.445 2.138 20 0 DEADHO Cc1ccc([C@H](CCn2cncn2)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000643522107 407010646 /nfs/dbraw/zinc/01/06/46/407010646.db2.gz HYNSTEVDQDIMLA-MSOLQXFVSA-N 1 3 313.449 2.450 20 0 DEADHO CCN1CCN(c2cccc(N[C@@H]3C[NH2+]C[C@@H](C)C3)c2)CC1 ZINC000647551215 407019260 /nfs/dbraw/zinc/01/92/60/407019260.db2.gz AVWKQNWVBSHHBC-RDJZCZTQSA-N 1 3 302.466 2.238 20 0 DEADHO COC1([C@@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)CCCCC1 ZINC000643346140 406986004 /nfs/dbraw/zinc/98/60/04/406986004.db2.gz CNJDWQMQFBMMHW-IAGOWNOFSA-N 1 3 323.525 2.482 20 0 DEADHO C[C@@H]1C[C@@H](C)N(Cc2ccc(C(=O)NC3CC3)cc2)C[C@H]1C[NH3+] ZINC000643427602 406999261 /nfs/dbraw/zinc/99/92/61/406999261.db2.gz LYSZXMNMEYGTHO-CKEIUWERSA-N 1 3 315.461 2.384 20 0 DEADHO CN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647970866 407089479 /nfs/dbraw/zinc/08/94/79/407089479.db2.gz JJOLSEPGPGHBOK-HOTGVXAUSA-N 1 3 309.498 2.155 20 0 DEADHO CN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647970866 407089482 /nfs/dbraw/zinc/08/94/82/407089482.db2.gz JJOLSEPGPGHBOK-HOTGVXAUSA-N 1 3 309.498 2.155 20 0 DEADHO C[NH+](C)C[C@@H]1CCN(C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647970866 407089484 /nfs/dbraw/zinc/08/94/84/407089484.db2.gz JJOLSEPGPGHBOK-HOTGVXAUSA-N 1 3 309.498 2.155 20 0 DEADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000644154937 407097352 /nfs/dbraw/zinc/09/73/52/407097352.db2.gz BALJXBLXAUCHBW-OAHLLOKOSA-N 1 3 323.868 2.228 20 0 DEADHO CC[C@H]1CN(CCCOc2ccc3c(c2)OCO3)CC[C@@H]1[NH3+] ZINC000647936775 407079318 /nfs/dbraw/zinc/07/93/18/407079318.db2.gz KXKTYBNKQKIKPC-ZFWWWQNUSA-N 1 3 306.406 2.243 20 0 DEADHO COc1ccc(CCC[N@H+](C)C[C@@H](O)CN(C)C(C)C)cc1 ZINC000647960405 407085850 /nfs/dbraw/zinc/08/58/50/407085850.db2.gz XHGVRFPQXIKFAE-QGZVFWFLSA-N 1 3 308.466 2.261 20 0 DEADHO COc1ccc(CCC[N@@H+](C)C[C@@H](O)CN(C)C(C)C)cc1 ZINC000647960405 407085853 /nfs/dbraw/zinc/08/58/53/407085853.db2.gz XHGVRFPQXIKFAE-QGZVFWFLSA-N 1 3 308.466 2.261 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNCCC(=O)Nc2cccnc2)C1 ZINC000644531447 407137274 /nfs/dbraw/zinc/13/72/74/407137274.db2.gz WGNHQBKFIRATSV-HNNXBMFYSA-N 1 3 304.438 2.120 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNCCC(=O)Nc2cccnc2)C1 ZINC000644531447 407137276 /nfs/dbraw/zinc/13/72/76/407137276.db2.gz WGNHQBKFIRATSV-HNNXBMFYSA-N 1 3 304.438 2.120 20 0 DEADHO CC(C)N1CCC[C@@H](C[NH2+]CCC(=O)Nc2cccnc2)C1 ZINC000644531447 407137278 /nfs/dbraw/zinc/13/72/78/407137278.db2.gz WGNHQBKFIRATSV-HNNXBMFYSA-N 1 3 304.438 2.120 20 0 DEADHO CC[C@@H](O)C[NH2+]CC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000644531408 407137357 /nfs/dbraw/zinc/13/73/57/407137357.db2.gz UTJAFBSETFPVOG-QGZVFWFLSA-N 1 3 306.450 2.268 20 0 DEADHO CC[C@@H](C)[C@@H](N)C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000449646905 286793267 /nfs/dbraw/zinc/79/32/67/286793267.db2.gz OUJNTDVNUOUALI-JWZBEHFJSA-N 1 3 321.440 2.008 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](C)CN1CCCCC1 ZINC000355479848 287012176 /nfs/dbraw/zinc/01/21/76/287012176.db2.gz KDSXWNNKAFRSHB-IAGOWNOFSA-N 1 3 324.513 2.425 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H](C)CN1CCCCC1 ZINC000355479848 287012177 /nfs/dbraw/zinc/01/21/77/287012177.db2.gz KDSXWNNKAFRSHB-IAGOWNOFSA-N 1 3 324.513 2.425 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C)CN1CCCCC1 ZINC000355479846 287011551 /nfs/dbraw/zinc/01/15/51/287011551.db2.gz KDSXWNNKAFRSHB-DLBZAZTESA-N 1 3 324.513 2.425 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](C)CN1CCCCC1 ZINC000355479846 287011556 /nfs/dbraw/zinc/01/15/56/287011556.db2.gz KDSXWNNKAFRSHB-DLBZAZTESA-N 1 3 324.513 2.425 20 0 DEADHO CC[C@@]1(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CCC[NH2+]1 ZINC000134606153 196405953 /nfs/dbraw/zinc/40/59/53/196405953.db2.gz MWTOEARTWUMOLG-MJGOQNOKSA-N 1 3 315.461 2.299 20 0 DEADHO CC[C@@H]1C[C@@H](C[N@@H+]2CCN(C3CCN(C)CC3)[C@H](C)C2)CCO1 ZINC000349331344 287282198 /nfs/dbraw/zinc/28/21/98/287282198.db2.gz LIXIWNBHSJGYDF-ZIFCJYIRSA-N 1 3 323.525 2.292 20 0 DEADHO CC[C@@H]1C[C@@H](C[N@H+]2CCN(C3CCN(C)CC3)[C@H](C)C2)CCO1 ZINC000349331344 287282201 /nfs/dbraw/zinc/28/22/01/287282201.db2.gz LIXIWNBHSJGYDF-ZIFCJYIRSA-N 1 3 323.525 2.292 20 0 DEADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCN2CCCOCC2)CC1 ZINC000368050965 287288450 /nfs/dbraw/zinc/28/84/50/287288450.db2.gz IZFLDFYGFXQRCF-MJGOQNOKSA-N 1 3 323.525 2.341 20 0 DEADHO Cc1nccnc1[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000187881879 225002399 /nfs/dbraw/zinc/00/23/99/225002399.db2.gz DMCPZWIVIFPMBA-ZNMIVQPWSA-N 1 3 306.454 2.325 20 0 DEADHO CC[C@@](CN[C@H]1CCC[NH2+]CC1)(C(=O)OC)c1ccccc1 ZINC000415132151 287399573 /nfs/dbraw/zinc/39/95/73/287399573.db2.gz AIHDUKFQOGMAID-WMZOPIPTSA-N 1 3 304.434 2.239 20 0 DEADHO [NH3+][C@@H](CC(=O)N1CCN(C2CCCC2)CC1)Cc1ccccc1 ZINC000572117249 292596331 /nfs/dbraw/zinc/59/63/31/292596331.db2.gz XCCPZPDZJFEIBV-QGZVFWFLSA-N 1 3 315.461 2.033 20 0 DEADHO CCN1CC[C@H]([NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)[C@@H](C)C1 ZINC000291155494 222179283 /nfs/dbraw/zinc/17/92/83/222179283.db2.gz HRSBDJYKYLFKJP-DZKIICNBSA-N 1 3 319.424 2.251 20 0 DEADHO OC[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000297583895 227333844 /nfs/dbraw/zinc/33/38/44/227333844.db2.gz IQNPZNIJPPXZOW-QGZVFWFLSA-N 1 3 311.429 2.416 20 0 DEADHO CCn1cncc1C[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000417910644 229142729 /nfs/dbraw/zinc/14/27/29/229142729.db2.gz LKCSJMRRCRCLEM-UHFFFAOYSA-N 1 3 316.449 2.176 20 0 DEADHO C[C@@]1(CNC(=O)N2CCN(C3CCCCC3)CC2)CCC[NH2+]C1 ZINC000418524538 229376821 /nfs/dbraw/zinc/37/68/21/229376821.db2.gz WMDYPILCJFKZLX-GOSISDBHSA-N 1 3 322.497 2.036 20 0 DEADHO C[C@@H]1C[C@@H](C)N(CCCOc2ccc3c(c2)OCO3)C[C@H]1C[NH3+] ZINC000422639163 230161494 /nfs/dbraw/zinc/16/14/94/230161494.db2.gz SFQAIGZYGXWARW-RBSFLKMASA-N 1 3 320.433 2.489 20 0 DEADHO C[C@@H]1C[C@@H](C)[N@H+](CCCOc2ccc3c(c2)OCO3)C[C@H]1CN ZINC000422639163 230161498 /nfs/dbraw/zinc/16/14/98/230161498.db2.gz SFQAIGZYGXWARW-RBSFLKMASA-N 1 3 320.433 2.489 20 0 DEADHO C[C@@H]1C[C@@H](C)[N@@H+](CCCOc2ccc3c(c2)OCO3)C[C@H]1CN ZINC000422639163 230161501 /nfs/dbraw/zinc/16/15/01/230161501.db2.gz SFQAIGZYGXWARW-RBSFLKMASA-N 1 3 320.433 2.489 20 0 DEADHO C[C@@H]1CCNC[C@@H]1[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000422703861 230170060 /nfs/dbraw/zinc/17/00/60/230170060.db2.gz JDUKMIAOHBWNQS-CVEARBPZSA-N 1 3 311.539 2.326 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCCN(C)c1ccccc1 ZINC000422744412 230185982 /nfs/dbraw/zinc/18/59/82/230185982.db2.gz VZUJTZDFNWAMGG-RYQLBKOJSA-N 1 3 305.466 2.245 20 0 DEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](CO)Cc1ccccc1 ZINC000422766951 230198493 /nfs/dbraw/zinc/19/84/93/230198493.db2.gz RNZDASSGACEROT-DBVUQKKJSA-N 1 3 312.457 2.386 20 0 DEADHO [NH3+]C[C@H]1CCC[C@H]1NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000422784637 230208044 /nfs/dbraw/zinc/20/80/44/230208044.db2.gz IZDYLELTLNCERF-CXAGYDPISA-N 1 3 302.397 2.271 20 0 DEADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422784637 230208048 /nfs/dbraw/zinc/20/80/48/230208048.db2.gz IZDYLELTLNCERF-CXAGYDPISA-N 1 3 302.397 2.271 20 0 DEADHO Cc1ccc(C(=O)N2CCC([NH2+][C@H](C)C[C@@H](C)N)CC2)cc1 ZINC000422900287 230266643 /nfs/dbraw/zinc/26/66/43/230266643.db2.gz AJSCVDXONGQWEQ-HUUCEWRRSA-N 1 3 303.450 2.315 20 0 DEADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCc1ccc2c(c1)OCCO2 ZINC000422930057 230283134 /nfs/dbraw/zinc/28/31/34/230283134.db2.gz RYWARKXQQBPXQF-HOCLYGCPSA-N 1 3 304.434 2.368 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000422960051 230296095 /nfs/dbraw/zinc/29/60/95/230296095.db2.gz ALWGEKIZYISENB-HOCLYGCPSA-N 1 3 311.433 2.173 20 0 DEADHO Fc1cccc(NCCCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423035505 230324885 /nfs/dbraw/zinc/32/48/85/230324885.db2.gz ROABGYZVPSQSSW-OKZBNKHCSA-N 1 3 321.440 2.374 20 0 DEADHO c1c(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)nc2n1CCS2 ZINC000423067931 230336547 /nfs/dbraw/zinc/33/65/47/230336547.db2.gz IUONPCAAMULUKD-BZUAXINKSA-N 1 3 320.506 2.432 20 0 DEADHO CC(C)(C[NH+]1CCCC1)NC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000637469509 424852852 /nfs/dbraw/zinc/85/28/52/424852852.db2.gz BVAIOKAUKNDOGD-INIZCTEOSA-N 1 3 322.497 2.177 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648905910 424926259 /nfs/dbraw/zinc/92/62/59/424926259.db2.gz WVNXUBZXXNVZIW-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648905910 424926260 /nfs/dbraw/zinc/92/62/60/424926260.db2.gz WVNXUBZXXNVZIW-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000649293979 424986236 /nfs/dbraw/zinc/98/62/36/424986236.db2.gz VOTWSAPTIIYZIS-IAGOWNOFSA-N 1 3 301.434 2.082 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1CNCCC1(F)F ZINC000649294948 424987099 /nfs/dbraw/zinc/98/70/99/424987099.db2.gz WWPLTWRUXAZALR-UONOGXRCSA-N 1 3 317.424 2.002 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CNCCC1(F)F ZINC000649294948 424987101 /nfs/dbraw/zinc/98/71/01/424987101.db2.gz WWPLTWRUXAZALR-UONOGXRCSA-N 1 3 317.424 2.002 20 0 DEADHO CN(CCN1CCCCC1)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000650562181 425017625 /nfs/dbraw/zinc/01/76/25/425017625.db2.gz LJMDHTWHIUBHHD-UHFFFAOYSA-N 1 3 324.513 2.378 20 0 DEADHO COCCNC1CC[NH+](C[C@@H]2CCOc3ccccc32)CC1 ZINC000650704743 425038124 /nfs/dbraw/zinc/03/81/24/425038124.db2.gz XLUWRAHKSZYMJZ-HNNXBMFYSA-N 1 3 304.434 2.253 20 0 DEADHO CCN1CC[C@H]2OCCN(C[C@@H]3CCCC[N@@H+]3C(C)C)[C@H]2C1 ZINC000649649837 425057034 /nfs/dbraw/zinc/05/70/34/425057034.db2.gz CZWRDQPWDLEHAC-OKZBNKHCSA-N 1 3 309.498 2.044 20 0 DEADHO CCN1CC[C@H]2OCCN(C[C@@H]3CCCC[N@H+]3C(C)C)[C@H]2C1 ZINC000649649837 425057037 /nfs/dbraw/zinc/05/70/37/425057037.db2.gz CZWRDQPWDLEHAC-OKZBNKHCSA-N 1 3 309.498 2.044 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)CCN2CCCCC2)C1 ZINC000650848103 425066823 /nfs/dbraw/zinc/06/68/23/425066823.db2.gz QMHCERCFHCTCGJ-KRWDZBQOSA-N 1 3 324.513 2.234 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(C)CCN2CCCCC2)C1 ZINC000650848103 425066826 /nfs/dbraw/zinc/06/68/26/425066826.db2.gz QMHCERCFHCTCGJ-KRWDZBQOSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H](C1CCN(C)CC1)[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000651393549 425133584 /nfs/dbraw/zinc/13/35/84/425133584.db2.gz AJGNZCPMGHWZHO-CABCVRRESA-N 1 3 309.498 2.330 20 0 DEADHO C[C@H](C1CCN(C)CC1)[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000651393549 425133585 /nfs/dbraw/zinc/13/35/85/425133585.db2.gz AJGNZCPMGHWZHO-CABCVRRESA-N 1 3 309.498 2.330 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000666754637 425175475 /nfs/dbraw/zinc/17/54/75/425175475.db2.gz QIPMYOWCRQMIKB-IAGOWNOFSA-N 1 3 324.513 2.231 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000666754637 425175479 /nfs/dbraw/zinc/17/54/79/425175479.db2.gz QIPMYOWCRQMIKB-IAGOWNOFSA-N 1 3 324.513 2.231 20 0 DEADHO CC(C)N1CCCN(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000666759564 425177244 /nfs/dbraw/zinc/17/72/44/425177244.db2.gz GQEQTVKLYKXNQZ-KRWDZBQOSA-N 1 3 324.513 2.233 20 0 DEADHO CN(C)CCNC(=O)C1CC[NH+](CCC(C)(C)C2CC2)CC1 ZINC000653577477 425181954 /nfs/dbraw/zinc/18/19/54/425181954.db2.gz OUNDZCLRFAKFAQ-UHFFFAOYSA-N 1 3 309.498 2.203 20 0 DEADHO CCN(C(=O)NC1CC[NH+](CC(C)C)CC1)[C@@H]1CCN(CC)C1 ZINC000663552935 425183106 /nfs/dbraw/zinc/18/31/06/425183106.db2.gz OSHBUBDZFIDHNU-QGZVFWFLSA-N 1 3 324.513 2.233 20 0 DEADHO CCN(C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCN(C)C1 ZINC000663635759 425201197 /nfs/dbraw/zinc/20/11/97/425201197.db2.gz SPFHGUDVMWECOF-BBWFWOEESA-N 1 3 324.513 2.090 20 0 DEADHO CCN(C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCN(C)C1 ZINC000663635759 425201200 /nfs/dbraw/zinc/20/12/00/425201200.db2.gz SPFHGUDVMWECOF-BBWFWOEESA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H]1C[C@H](C)C[NH+](CCN(CCN(C)C)Cc2ccccn2)C1 ZINC000660680984 425204587 /nfs/dbraw/zinc/20/45/87/425204587.db2.gz YQLYBUSSAPXXJG-ROUUACIJSA-N 1 3 318.509 2.423 20 0 DEADHO OC[C@]1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCc2ccccc21 ZINC000651884756 425150926 /nfs/dbraw/zinc/15/09/26/425150926.db2.gz PGIIOPFRQUXNEU-JENIJYKNSA-N 1 3 300.446 2.079 20 0 DEADHO OC[C@]1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CCc2ccccc21 ZINC000651884756 425150927 /nfs/dbraw/zinc/15/09/27/425150927.db2.gz PGIIOPFRQUXNEU-JENIJYKNSA-N 1 3 300.446 2.079 20 0 DEADHO CCCC(=O)NC1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000652337225 425241769 /nfs/dbraw/zinc/24/17/69/425241769.db2.gz WHJKUHGOPPNZAM-UHFFFAOYSA-N 1 3 315.461 2.213 20 0 DEADHO C[C@H]1CCC[N@H+](CCC(=O)N2CCc3ccccc32)[C@@H]1CCN ZINC000652354303 425246934 /nfs/dbraw/zinc/24/69/34/425246934.db2.gz SWQSNRGNBCARSA-DOTOQJQBSA-N 1 3 315.461 2.415 20 0 DEADHO C[C@H]1CCC[N@@H+](CCC(=O)N2CCc3ccccc32)[C@@H]1CCN ZINC000652354303 425246936 /nfs/dbraw/zinc/24/69/36/425246936.db2.gz SWQSNRGNBCARSA-DOTOQJQBSA-N 1 3 315.461 2.415 20 0 DEADHO C[C@H]1CCCN(CCC(=O)N2CCc3ccccc32)[C@@H]1CC[NH3+] ZINC000652354303 425246940 /nfs/dbraw/zinc/24/69/40/425246940.db2.gz SWQSNRGNBCARSA-DOTOQJQBSA-N 1 3 315.461 2.415 20 0 DEADHO C[C@@H](CNC(=O)N[C@@H](C)CN1CCC(C)CC1)C[NH+]1CCCC1 ZINC000660830807 425249624 /nfs/dbraw/zinc/24/96/24/425249624.db2.gz YXNUYMHGZVFEEM-IRXDYDNUSA-N 1 3 324.513 2.138 20 0 DEADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000660842191 425253140 /nfs/dbraw/zinc/25/31/40/425253140.db2.gz VAOCHVKPOBZICS-IRXDYDNUSA-N 1 3 324.513 2.138 20 0 DEADHO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000660842191 425253143 /nfs/dbraw/zinc/25/31/43/425253143.db2.gz VAOCHVKPOBZICS-IRXDYDNUSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000660869895 425263469 /nfs/dbraw/zinc/26/34/69/425263469.db2.gz UUJAHZCZCWXZEU-HRCADAONSA-N 1 3 322.497 2.031 20 0 DEADHO CO[C@@H](CN1CCOC2(CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000660902198 425271203 /nfs/dbraw/zinc/27/12/03/425271203.db2.gz DAXNTRCWVQPNDU-KRWDZBQOSA-N 1 3 310.482 2.378 20 0 DEADHO CC[C@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)CO1 ZINC000657389348 425321313 /nfs/dbraw/zinc/32/13/13/425321313.db2.gz KLICUESPKSUJGF-HKUYNNGSSA-N 1 3 318.461 2.300 20 0 DEADHO CC[C@@H]1C[C@H](NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CO1 ZINC000657430665 425330672 /nfs/dbraw/zinc/33/06/72/425330672.db2.gz USCRRRZGKQHYJC-IPMKNSEASA-N 1 3 318.461 2.300 20 0 DEADHO CC[C@@H]1C[C@H](NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)CO1 ZINC000657430665 425330676 /nfs/dbraw/zinc/33/06/76/425330676.db2.gz USCRRRZGKQHYJC-IPMKNSEASA-N 1 3 318.461 2.300 20 0 DEADHO CCN(C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)[C@H]1CCN(CC)C1 ZINC000664031647 425291863 /nfs/dbraw/zinc/29/18/63/425291863.db2.gz GVXCAAVPTLZYIM-ZACQAIPSSA-N 1 3 324.513 2.375 20 0 DEADHO CCN(C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[C@H]1CCN(CC)C1 ZINC000664031644 425292876 /nfs/dbraw/zinc/29/28/76/425292876.db2.gz GVXCAAVPTLZYIM-BBWFWOEESA-N 1 3 324.513 2.375 20 0 DEADHO CCN(C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[C@H]1CCN(CC)C1 ZINC000664031644 425292881 /nfs/dbraw/zinc/29/28/81/425292881.db2.gz GVXCAAVPTLZYIM-BBWFWOEESA-N 1 3 324.513 2.375 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)Nc1cccc2c1CCNC2 ZINC000652609981 425302091 /nfs/dbraw/zinc/30/20/91/425302091.db2.gz HHWFVXXOICWTAG-UHFFFAOYSA-N 1 3 318.465 2.432 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)Nc1cccc2c1CCNC2 ZINC000652609981 425302092 /nfs/dbraw/zinc/30/20/92/425302092.db2.gz HHWFVXXOICWTAG-UHFFFAOYSA-N 1 3 318.465 2.432 20 0 DEADHO CC[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CO1 ZINC000657350624 425311429 /nfs/dbraw/zinc/31/14/29/425311429.db2.gz VFAMJDHZLPELSI-HKUYNNGSSA-N 1 3 318.461 2.300 20 0 DEADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000654422873 425349416 /nfs/dbraw/zinc/34/94/16/425349416.db2.gz RQWKZZDCOCENQX-OAHLLOKOSA-N 1 3 312.502 2.233 20 0 DEADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000654422873 425349418 /nfs/dbraw/zinc/34/94/18/425349418.db2.gz RQWKZZDCOCENQX-OAHLLOKOSA-N 1 3 312.502 2.233 20 0 DEADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000654429350 425351426 /nfs/dbraw/zinc/35/14/26/425351426.db2.gz XCKMQAUQRKQQBY-BRWVUGGUSA-N 1 3 322.497 2.034 20 0 DEADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000654429350 425351428 /nfs/dbraw/zinc/35/14/28/425351428.db2.gz XCKMQAUQRKQQBY-BRWVUGGUSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@H](NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12)C1CC[NH+](C)CC1 ZINC000654452464 425356240 /nfs/dbraw/zinc/35/62/40/425356240.db2.gz SMPXRUKDNZCHBS-UAGQMJEPSA-N 1 3 322.497 2.033 20 0 DEADHO CCN(C(=O)NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCN(C)C1 ZINC000664319826 425360697 /nfs/dbraw/zinc/36/06/97/425360697.db2.gz BZPJCXMLBNKPCN-QGZVFWFLSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCC1=CCCC1 ZINC000664516460 425401708 /nfs/dbraw/zinc/40/17/08/425401708.db2.gz RPSAKNQHBBHJBA-HNNXBMFYSA-N 1 3 310.486 2.058 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCC1=CCCC1 ZINC000664516460 425401710 /nfs/dbraw/zinc/40/17/10/425401710.db2.gz RPSAKNQHBBHJBA-HNNXBMFYSA-N 1 3 310.486 2.058 20 0 DEADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@H]1CCC[NH2+]CC1 ZINC000653105909 425405936 /nfs/dbraw/zinc/40/59/36/425405936.db2.gz NCKFEACKYGAEKP-ROUUACIJSA-N 1 3 315.461 2.329 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000654481834 425365364 /nfs/dbraw/zinc/36/53/64/425365364.db2.gz PLGFNTDXQLEXLB-LSDHHAIUSA-N 1 3 322.497 2.127 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000654481834 425365365 /nfs/dbraw/zinc/36/53/65/425365365.db2.gz PLGFNTDXQLEXLB-LSDHHAIUSA-N 1 3 322.497 2.127 20 0 DEADHO CCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@H]1CCN(CC)C1 ZINC000664368407 425371359 /nfs/dbraw/zinc/37/13/59/425371359.db2.gz JAAVGLLVGSVDTM-GJZGRUSLSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@H](C)O1 ZINC000657613830 425377498 /nfs/dbraw/zinc/37/74/98/425377498.db2.gz SEABFVSYEFCODB-RVKKMQEKSA-N 1 3 303.450 2.449 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000654566770 425383734 /nfs/dbraw/zinc/38/37/34/425383734.db2.gz NYXIWBLOUQDKLX-HNNXBMFYSA-N 1 3 312.502 2.231 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000654566770 425383737 /nfs/dbraw/zinc/38/37/37/425383737.db2.gz NYXIWBLOUQDKLX-HNNXBMFYSA-N 1 3 312.502 2.231 20 0 DEADHO COC1([C@H](C)NCc2ccncc2OCCC[NH+](C)C)CCC1 ZINC000658014527 425427553 /nfs/dbraw/zinc/42/75/53/425427553.db2.gz WVVUTLZSSZPUSO-HNNXBMFYSA-N 1 3 321.465 2.459 20 0 DEADHO C[NH2+]Cc1ccccc1CNC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000653210719 425434331 /nfs/dbraw/zinc/43/43/31/425434331.db2.gz GKHGJBFOSPSJIR-KSSFIOAISA-N 1 3 311.429 2.358 20 0 DEADHO C[NH2+]Cc1ccccc1CNC(=O)[C@@H](C)N1CCCCCC1 ZINC000653214483 425435772 /nfs/dbraw/zinc/43/57/72/425435772.db2.gz XGPLXJIMIKYNNW-OAHLLOKOSA-N 1 3 303.450 2.287 20 0 DEADHO CC(C)[C@@H](C(=O)NCc1ccc(C[NH3+])cc1F)N1CCCCC1 ZINC000653224526 425437224 /nfs/dbraw/zinc/43/72/24/425437224.db2.gz VCMKOVNBIHVSSW-KRWDZBQOSA-N 1 3 321.440 2.411 20 0 DEADHO Cc1ncc([C@H](C)N[C@@H](C)CN(C)CCC[NH+](C)C)c(C)n1 ZINC000658106320 425439012 /nfs/dbraw/zinc/43/90/12/425439012.db2.gz BIUITBPDNRCGBB-KBPBESRZSA-N 1 3 307.486 2.016 20 0 DEADHO O[C@H]1CCN(Cc2ccc(C[NH2+][C@@H]3COC4(CCC4)C3)cc2)C1 ZINC000658139029 425443817 /nfs/dbraw/zinc/44/38/17/425443817.db2.gz PYPXJISRKGTPAW-ROUUACIJSA-N 1 3 316.445 2.054 20 0 DEADHO CC[C@H]([NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)[C@H]1CCOC1 ZINC000658140305 425444677 /nfs/dbraw/zinc/44/46/77/425444677.db2.gz PSIYLPGAFGYOBY-FHWLQOOXSA-N 1 3 318.461 2.158 20 0 DEADHO c1cc(CN2CCC(C[NH2+][C@@H]3CCCOCC3)CC2)ccn1 ZINC000658164809 425451065 /nfs/dbraw/zinc/45/10/65/425451065.db2.gz FQEWQVGXLGEQTJ-GOSISDBHSA-N 1 3 303.450 2.452 20 0 DEADHO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000661897228 425521222 /nfs/dbraw/zinc/52/12/22/425521222.db2.gz HZEUJGNKEHFGCG-SJORKVTESA-N 1 3 324.513 2.138 20 0 DEADHO CC[N@H+]1CCC[C@@H](CNC(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000661897228 425521223 /nfs/dbraw/zinc/52/12/23/425521223.db2.gz HZEUJGNKEHFGCG-SJORKVTESA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CC1(N)CCCC1 ZINC000665249048 425528273 /nfs/dbraw/zinc/52/82/73/425528273.db2.gz IIZKYODDTXEOHO-DOTOQJQBSA-N 1 3 302.466 2.153 20 0 DEADHO C[C@H]1CN(Cc2ccccn2)CC[C@H]1NCC1([NH3+])CCCC1 ZINC000665249048 425528275 /nfs/dbraw/zinc/52/82/75/425528275.db2.gz IIZKYODDTXEOHO-DOTOQJQBSA-N 1 3 302.466 2.153 20 0 DEADHO CC(C)Oc1cccc(CN(C)C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662278771 425610172 /nfs/dbraw/zinc/61/01/72/425610172.db2.gz AKRPVHGAFGYIGC-QGZVFWFLSA-N 1 3 304.434 2.427 20 0 DEADHO CCCN(CC[NH+]1CCCC1)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000665357062 425552542 /nfs/dbraw/zinc/55/25/42/425552542.db2.gz CSMBMUGASFEGCI-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO CO[C@@H](C[NH+]1CCC(N2CC[C@H](O)C2)CC1)C1CCCCC1 ZINC000662148891 425575925 /nfs/dbraw/zinc/57/59/25/425575925.db2.gz LIMCTALNNRDZAF-ROUUACIJSA-N 1 3 310.482 2.113 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)C[C@@H]1NCc2ccccc21 ZINC000659327591 425578533 /nfs/dbraw/zinc/57/85/33/425578533.db2.gz QIDFFYLSGKJIOC-KRWDZBQOSA-N 1 3 303.450 2.315 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)C[C@@H]1NCc2ccccc21 ZINC000659327591 425578535 /nfs/dbraw/zinc/57/85/35/425578535.db2.gz QIDFFYLSGKJIOC-KRWDZBQOSA-N 1 3 303.450 2.315 20 0 DEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C[C@@H]1NCc2ccccc21 ZINC000659325693 425578894 /nfs/dbraw/zinc/57/88/94/425578894.db2.gz XKCKPWZHDYYNQG-COXVUDFISA-N 1 3 301.434 2.020 20 0 DEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C[C@@H]1NCc2ccccc21 ZINC000659325693 425578896 /nfs/dbraw/zinc/57/88/96/425578896.db2.gz XKCKPWZHDYYNQG-COXVUDFISA-N 1 3 301.434 2.020 20 0 DEADHO CC(C)(C)N1CC[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000665557344 425595769 /nfs/dbraw/zinc/59/57/69/425595769.db2.gz RYZGXFBSQKZMMZ-JKSUJKDBSA-N 1 3 322.497 2.129 20 0 DEADHO CNC(=O)c1ccc(CN(C)Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000662248827 425599798 /nfs/dbraw/zinc/59/97/98/425599798.db2.gz KFEWIRBRUWYVON-UHFFFAOYSA-N 1 3 323.440 2.324 20 0 DEADHO C[NH2+]C[C@H](C)NC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000659444668 425605737 /nfs/dbraw/zinc/60/57/37/425605737.db2.gz GJKBYRXLXRRMRV-DOTOQJQBSA-N 1 3 318.465 2.039 20 0 DEADHO CO[C@H](CN1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000662274080 425609385 /nfs/dbraw/zinc/60/93/85/425609385.db2.gz QVNFUWDNHAZMMC-IAGOWNOFSA-N 1 3 304.434 2.061 20 0 DEADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCOCc2ccccc2)CC1 ZINC000662271945 425609601 /nfs/dbraw/zinc/60/96/01/425609601.db2.gz ADDCDLBAZIALLP-MSOLQXFVSA-N 1 3 304.434 2.031 20 0 DEADHO C[NH+](C)Cc1ccc(NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000655745322 425644117 /nfs/dbraw/zinc/64/41/17/425644117.db2.gz LRWCTVSCUDPUBQ-GOSISDBHSA-N 1 3 303.450 2.413 20 0 DEADHO C[C@@H](CC[NH2+]C1CCN(C[C@H]2CCCO2)CC1)N1CCCCC1 ZINC000655754424 425646621 /nfs/dbraw/zinc/64/66/21/425646621.db2.gz QEEYUEAQVPHDES-PKOBYXMFSA-N 1 3 323.525 2.484 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)C[NH2+]C(C)C)N2CCCC2)cc1 ZINC000662426211 425648770 /nfs/dbraw/zinc/64/87/70/425648770.db2.gz UYFBBSBTVDPOPM-QGZVFWFLSA-N 1 3 303.450 2.246 20 0 DEADHO CCCN(CC)C[C@@H](C)[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000655769936 425648847 /nfs/dbraw/zinc/64/88/47/425648847.db2.gz SOEORWKFZRTRFQ-SJLPKXTDSA-N 1 3 311.514 2.340 20 0 DEADHO CCC[NH+]1CCC(CNC(=O)c2cccc3c2CNC3)CC1 ZINC000662431947 425650134 /nfs/dbraw/zinc/65/01/34/425650134.db2.gz NOHWHELXAYUFCK-UHFFFAOYSA-N 1 3 301.434 2.142 20 0 DEADHO CC[C@@H]([NH2+]C)C(=O)N(CCCc1ccccc1)CCN(C)C ZINC000662473392 425659528 /nfs/dbraw/zinc/65/95/28/425659528.db2.gz INPZBRVTFYEUJZ-QGZVFWFLSA-N 1 3 305.466 2.007 20 0 DEADHO C[C@@H](C(=O)N1CCCCC1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662292481 425616185 /nfs/dbraw/zinc/61/61/85/425616185.db2.gz NFZJBNWBNJYQBS-DOTOQJQBSA-N 1 3 307.482 2.099 20 0 DEADHO C1CCC(N2CCC([NH2+]C3CCN([C@H]4CCOC4)CC3)CC2)C1 ZINC000655719362 425636330 /nfs/dbraw/zinc/63/63/30/425636330.db2.gz RRIFMDCJZLHERD-IBGZPJMESA-N 1 3 321.509 2.236 20 0 DEADHO CN[C@@H](C)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000662387515 425639287 /nfs/dbraw/zinc/63/92/87/425639287.db2.gz HAHYGJBOAIIOKU-JYJNAYRXSA-N 1 3 317.477 2.389 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC(C)(C)[C@H]1C1CC1 ZINC000665762467 425640601 /nfs/dbraw/zinc/64/06/01/425640601.db2.gz FJNJWFBTPGYYCP-GOEBONIOSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(C)(C)[C@H]1C1CC1 ZINC000665762467 425640604 /nfs/dbraw/zinc/64/06/04/425640604.db2.gz FJNJWFBTPGYYCP-GOEBONIOSA-N 1 3 324.513 2.088 20 0 DEADHO CC[C@@H]1CC[C@H](C)N1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665761077 425641625 /nfs/dbraw/zinc/64/16/25/425641625.db2.gz WIYNISPEYJIPFR-HRCADAONSA-N 1 3 312.502 2.231 20 0 DEADHO CC[C@@H]1CC[C@H](C)N1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665761077 425641628 /nfs/dbraw/zinc/64/16/28/425641628.db2.gz WIYNISPEYJIPFR-HRCADAONSA-N 1 3 312.502 2.231 20 0 DEADHO CO[C@@H](CN1CCN(C2CC[NH+](C(C)C)CC2)CC1)C1CCC1 ZINC000660107903 425739320 /nfs/dbraw/zinc/73/93/20/425739320.db2.gz SDJKPAFSDAWFOM-IBGZPJMESA-N 1 3 323.525 2.292 20 0 DEADHO C[C@@H](C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)N1CCCCCC1 ZINC000662590777 425688390 /nfs/dbraw/zinc/68/83/90/425688390.db2.gz NMPJKZROPDDGLG-WMZOPIPTSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000662592214 425688753 /nfs/dbraw/zinc/68/87/53/425688753.db2.gz IEMDVGREDJVSEA-WMLDXEAASA-N 1 3 315.461 2.110 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000662592214 425688755 /nfs/dbraw/zinc/68/87/55/425688755.db2.gz IEMDVGREDJVSEA-WMLDXEAASA-N 1 3 315.461 2.110 20 0 DEADHO CN1CCC(O)(C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666091045 425698323 /nfs/dbraw/zinc/69/83/23/425698323.db2.gz LBYXOTBTGGHYEV-CQSZACIVSA-N 1 3 308.853 2.244 20 0 DEADHO CCC[C@@](C)(N)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000662659845 425706715 /nfs/dbraw/zinc/70/67/15/425706715.db2.gz VMAITSUPZVDOHP-PKOBYXMFSA-N 1 3 317.477 2.279 20 0 DEADHO CCC[C@@](C)(N)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000662659845 425706718 /nfs/dbraw/zinc/70/67/18/425706718.db2.gz VMAITSUPZVDOHP-PKOBYXMFSA-N 1 3 317.477 2.279 20 0 DEADHO NC[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC000662667955 425707731 /nfs/dbraw/zinc/70/77/31/425707731.db2.gz FCOHGTLQGOAWJA-SJLPKXTDSA-N 1 3 315.461 2.252 20 0 DEADHO NC[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000662667955 425707734 /nfs/dbraw/zinc/70/77/34/425707734.db2.gz FCOHGTLQGOAWJA-SJLPKXTDSA-N 1 3 315.461 2.252 20 0 DEADHO CN(CCCNC(=O)[C@@H]1[NH2+]CCC1(C)C)Cc1ccccc1 ZINC000662670714 425708255 /nfs/dbraw/zinc/70/82/55/425708255.db2.gz IFXQOROOXCOAFB-INIZCTEOSA-N 1 3 303.450 2.013 20 0 DEADHO NC[C@H](C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC000662667956 425708397 /nfs/dbraw/zinc/70/83/97/425708397.db2.gz FCOHGTLQGOAWJA-WMZOPIPTSA-N 1 3 315.461 2.252 20 0 DEADHO NC[C@H](C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000662667956 425708402 /nfs/dbraw/zinc/70/84/02/425708402.db2.gz FCOHGTLQGOAWJA-WMZOPIPTSA-N 1 3 315.461 2.252 20 0 DEADHO C[NH+](C)Cc1cccc(CNC(=O)c2cccc3c2CCNC3)c1 ZINC000662672631 425709318 /nfs/dbraw/zinc/70/93/18/425709318.db2.gz DRJXVXYUMNOACS-UHFFFAOYSA-N 1 3 323.440 2.324 20 0 DEADHO C[C@H](CNC(=O)c1cccc2c1CCNC2)[N@@H+]1CCCC[C@H]1C ZINC000662678568 425710554 /nfs/dbraw/zinc/71/05/54/425710554.db2.gz GFPPGOMMPZFTRT-HUUCEWRRSA-N 1 3 315.461 2.325 20 0 DEADHO C[C@H](CNC(=O)c1cccc2c1CCNC2)[N@H+]1CCCC[C@H]1C ZINC000662678568 425710555 /nfs/dbraw/zinc/71/05/55/425710555.db2.gz GFPPGOMMPZFTRT-HUUCEWRRSA-N 1 3 315.461 2.325 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662680685 425711083 /nfs/dbraw/zinc/71/10/83/425711083.db2.gz YUKUTBMJNQPZOK-UHFFFAOYSA-N 1 3 313.401 2.058 20 0 DEADHO CN1CCC[C@H](CNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)C1 ZINC000662699897 425716407 /nfs/dbraw/zinc/71/64/07/425716407.db2.gz DDMBPBACHKHUKB-PBHICJAKSA-N 1 3 315.461 2.137 20 0 DEADHO CCCN1CC[C@H](NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)C1 ZINC000662702673 425717251 /nfs/dbraw/zinc/71/72/51/425717251.db2.gz CDBJQZFRKAVZLI-SJORKVTESA-N 1 3 315.461 2.279 20 0 DEADHO CC[C@@H](NC)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000662705514 425718591 /nfs/dbraw/zinc/71/85/91/425718591.db2.gz OIRNABNQUIECPC-CQSZACIVSA-N 1 3 304.438 2.129 20 0 DEADHO CC1(C)CC[NH2+][C@@H]1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000662737948 425725110 /nfs/dbraw/zinc/72/51/10/425725110.db2.gz RTMNJRFHGVSUOT-DLBZAZTESA-N 1 3 315.461 2.155 20 0 DEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc3c2CNC3)C[C@H]1C ZINC000662743552 425726204 /nfs/dbraw/zinc/72/62/04/425726204.db2.gz PAFKDPQJHDCGEL-UKRRQHHQSA-N 1 3 301.434 2.235 20 0 DEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc3c2CNC3)C[C@H]1C ZINC000662743552 425726207 /nfs/dbraw/zinc/72/62/07/425726207.db2.gz PAFKDPQJHDCGEL-UKRRQHHQSA-N 1 3 301.434 2.235 20 0 DEADHO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cccc3c2CCNC3)C1 ZINC000662745646 425727673 /nfs/dbraw/zinc/72/76/73/425727673.db2.gz GBCZBOMXRYSTLT-OAHLLOKOSA-N 1 3 315.461 2.136 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)N[C@H](C)CN2CCC(C)CC2)CC1 ZINC000660249298 425775863 /nfs/dbraw/zinc/77/58/63/425775863.db2.gz KKUIDZZMAYKGLB-MRXNPFEDSA-N 1 3 324.513 2.279 20 0 DEADHO C[NH+](C)C1(CNC(=O)NC[C@@H]2CCN2C(C)(C)C)CCCCC1 ZINC000660283187 425783530 /nfs/dbraw/zinc/78/35/30/425783530.db2.gz GEIAXMRIZVHPGS-HNNXBMFYSA-N 1 3 324.513 2.423 20 0 DEADHO CC[C@H]1c2ccccc2CC[N@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000666640930 425793483 /nfs/dbraw/zinc/79/34/83/425793483.db2.gz AALNWGWIXMGATN-YJBOKZPZSA-N 1 3 315.461 2.193 20 0 DEADHO CC[C@H]1c2ccccc2CC[N@@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000666640930 425793486 /nfs/dbraw/zinc/79/34/86/425793486.db2.gz AALNWGWIXMGATN-YJBOKZPZSA-N 1 3 315.461 2.193 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000660396825 425807599 /nfs/dbraw/zinc/80/75/99/425807599.db2.gz OCPFZASYGQORNA-ULQDDVLXSA-N 1 3 324.513 2.138 20 0 DEADHO [NH3+]CCCN(c1ccccc1F)C1CCN([C@@H]2CCOC2)CC1 ZINC000656254667 425746431 /nfs/dbraw/zinc/74/64/31/425746431.db2.gz DLJBFBRGUGLKNB-MRXNPFEDSA-N 1 3 321.440 2.234 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662847008 425748705 /nfs/dbraw/zinc/74/87/05/425748705.db2.gz XJJQYIMXYRRNAU-DLBZAZTESA-N 1 3 307.482 2.099 20 0 DEADHO CCN1CC[C@H](N2CCC(CC[N@H+](CC)CC3CC3)CC2)C1=O ZINC000660168446 425757716 /nfs/dbraw/zinc/75/77/16/425757716.db2.gz RAGKQYIEBLXPKC-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CC[C@H](N2CCC(CC[N@@H+](CC)CC3CC3)CC2)C1=O ZINC000660168446 425757721 /nfs/dbraw/zinc/75/77/21/425757721.db2.gz RAGKQYIEBLXPKC-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC[C@H](N3CCOCC3)CC2)C1 ZINC000660476155 425819944 /nfs/dbraw/zinc/81/99/44/425819944.db2.gz XCJHKVMUJIBRNN-QRVBRYPASA-N 1 3 323.525 2.151 20 0 DEADHO COc1cc2nccc(N[C@@H]3CC[NH2+][C@@H](C)C3)c2cc1OC ZINC000663239653 425820410 /nfs/dbraw/zinc/82/04/10/425820410.db2.gz OPQPIXXXSXRZSF-NWDGAFQWSA-N 1 3 301.390 2.226 20 0 DEADHO CCC[N@@H+]1CC[C@H](CNCCC(=O)N(C)c2ccccc2)C1 ZINC000663358962 425831893 /nfs/dbraw/zinc/83/18/93/425831893.db2.gz BIPFBXDNNFTNOH-MRXNPFEDSA-N 1 3 303.450 2.361 20 0 DEADHO CCC[N@H+]1CC[C@H](CNCCC(=O)N(C)c2ccccc2)C1 ZINC000663358962 425831894 /nfs/dbraw/zinc/83/18/94/425831894.db2.gz BIPFBXDNNFTNOH-MRXNPFEDSA-N 1 3 303.450 2.361 20 0 DEADHO CCCN1CC[C@H](C[NH2+]CCC(=O)N(C)c2ccccc2)C1 ZINC000663358962 425831895 /nfs/dbraw/zinc/83/18/95/425831895.db2.gz BIPFBXDNNFTNOH-MRXNPFEDSA-N 1 3 303.450 2.361 20 0 DEADHO [NH3+]CC1(O)CCN(Cc2ccc(Cl)c3cccnc23)CC1 ZINC000397032888 269105115 /nfs/dbraw/zinc/10/51/15/269105115.db2.gz YMPMWUNVLGWGDF-UHFFFAOYSA-N 1 3 305.809 2.174 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](N)C1CCC1)c1ccccc1 ZINC000399077623 269110720 /nfs/dbraw/zinc/11/07/20/269110720.db2.gz QJSGNSDTNMHPPB-IRXDYDNUSA-N 1 3 303.450 2.313 20 0 DEADHO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCCN2CCCC2)C1 ZINC000495565433 269155783 /nfs/dbraw/zinc/15/57/83/269155783.db2.gz MHIYPCVXWSSXHD-HZPDHXFCSA-N 1 3 311.470 2.319 20 0 DEADHO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1CC[C@H]1CCCN1C ZINC000495636732 269162521 /nfs/dbraw/zinc/16/25/21/269162521.db2.gz BZRPZCUQWUWEIT-HZPDHXFCSA-N 1 3 311.470 2.461 20 0 DEADHO CCCNC(=O)OC[C@H]1CCCC[N@H+]1CC[C@H]1CCCN1C ZINC000495636732 269162522 /nfs/dbraw/zinc/16/25/22/269162522.db2.gz BZRPZCUQWUWEIT-HZPDHXFCSA-N 1 3 311.470 2.461 20 0 DEADHO COCC[NH+]1CCC(NCc2cccc(NC(=O)OC)c2)CC1 ZINC000495690623 269169067 /nfs/dbraw/zinc/16/90/67/269169067.db2.gz NEUFKGDKNHYMRL-UHFFFAOYSA-N 1 3 321.421 2.065 20 0 DEADHO NC(=O)OC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCCC[C@@H]1N ZINC000496094246 269199709 /nfs/dbraw/zinc/19/97/09/269199709.db2.gz WITZUPLEGNMYPL-HRCADAONSA-N 1 3 305.422 2.357 20 0 DEADHO CN1CCC[C@@H]1CC[N@@H+]1CCCC[C@H]1COC(=O)NC1CC1 ZINC000496669076 269239120 /nfs/dbraw/zinc/23/91/20/269239120.db2.gz VNEZWIWYYYBGIY-CVEARBPZSA-N 1 3 309.454 2.214 20 0 DEADHO CN1CCC[C@@H]1CC[N@H+]1CCCC[C@H]1COC(=O)NC1CC1 ZINC000496669076 269239122 /nfs/dbraw/zinc/23/91/22/269239122.db2.gz VNEZWIWYYYBGIY-CVEARBPZSA-N 1 3 309.454 2.214 20 0 DEADHO C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000515634617 269352619 /nfs/dbraw/zinc/35/26/19/269352619.db2.gz UOXLARXGMKOEDP-AFAVFJNCSA-N 1 3 322.474 2.129 20 0 DEADHO N[C@H](CC(=O)NCCC[NH+]1CCCCCC1)Cc1ccccc1 ZINC000517238985 269380836 /nfs/dbraw/zinc/38/08/36/269380836.db2.gz NXYCKABSXVZUMD-SFHVURJKSA-N 1 3 317.477 2.329 20 0 DEADHO N[C@@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)C1CCC1 ZINC000517918624 269394426 /nfs/dbraw/zinc/39/44/26/269394426.db2.gz CSIFLLJSNCDGLU-QGZVFWFLSA-N 1 3 301.434 2.391 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000439972318 276156859 /nfs/dbraw/zinc/15/68/59/276156859.db2.gz NSPNUMOTPHCLLV-SJORKVTESA-N 1 3 307.482 2.384 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000439972318 276156861 /nfs/dbraw/zinc/15/68/61/276156861.db2.gz NSPNUMOTPHCLLV-SJORKVTESA-N 1 3 307.482 2.384 20 0 DEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CCN(C3CC3)CC2)C[C@@H]1C ZINC000361763818 276212694 /nfs/dbraw/zinc/21/26/94/276212694.db2.gz GPDFYJCBSYPIGR-WMLDXEAASA-N 1 3 322.497 2.127 20 0 DEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CCN(C3CC3)CC2)C[C@@H]1C ZINC000361763818 276212696 /nfs/dbraw/zinc/21/26/96/276212696.db2.gz GPDFYJCBSYPIGR-WMLDXEAASA-N 1 3 322.497 2.127 20 0 DEADHO CCN(C(=O)[C@H]1CC[NH2+]1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000444159161 276301243 /nfs/dbraw/zinc/30/12/43/276301243.db2.gz ITLGKFPEZJOCLX-BHYGNILZSA-N 1 3 301.434 2.032 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247204723 276360713 /nfs/dbraw/zinc/36/07/13/276360713.db2.gz WNVFFTDOUJAWNE-IAGOWNOFSA-N 1 3 307.482 2.338 20 0 DEADHO COCC[C@](C)(O)CNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000358721604 277241541 /nfs/dbraw/zinc/24/15/41/277241541.db2.gz XKPIYABAYBTQCE-SZMVWBNQSA-N 1 3 312.498 2.407 20 0 DEADHO COCC[C@](C)(O)C[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000358721604 277241542 /nfs/dbraw/zinc/24/15/42/277241542.db2.gz XKPIYABAYBTQCE-SZMVWBNQSA-N 1 3 312.498 2.407 20 0 DEADHO CC(C)(CNC(=O)CC1(C[NH3+])CC1)N1CCc2ccccc2C1 ZINC000423334289 277300178 /nfs/dbraw/zinc/30/01/78/277300178.db2.gz SNSSMJCJAYNBHN-UHFFFAOYSA-N 1 3 315.461 2.069 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCCN(C)C2)CC1 ZINC000115792378 277383720 /nfs/dbraw/zinc/38/37/20/277383720.db2.gz CIXKFRVYXCPKNP-MRXNPFEDSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H]([NH2+]C1CC1)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000294909720 278253557 /nfs/dbraw/zinc/25/35/57/278253557.db2.gz CAAOQKPOIQHCDG-YJBOKZPZSA-N 1 3 315.461 2.298 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)CN)c1ccc(C(F)(F)F)cc1 ZINC000236875910 279162266 /nfs/dbraw/zinc/16/22/66/279162266.db2.gz AHIGEJVAILHNIU-CYBMUJFWSA-N 1 3 317.355 2.163 20 0 DEADHO CCN(CCC[NH+]1CCCC1)C(=O)C1CCN(C2CC2)CC1 ZINC000357102404 279180140 /nfs/dbraw/zinc/18/01/40/279180140.db2.gz RJSGIQCJYTWVOS-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)Cc1ccc([C@@H](CNC(=O)N(C)CC[NH3+])N(C)C)cc1 ZINC000418193371 279242585 /nfs/dbraw/zinc/24/25/85/279242585.db2.gz NKMHNHFMMNFIHW-QGZVFWFLSA-N 1 3 320.481 2.088 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246552335 279266089 /nfs/dbraw/zinc/26/60/89/279266089.db2.gz XHYCYERNJCOGIV-RYQLBKOJSA-N 1 3 319.493 2.336 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246552335 279266090 /nfs/dbraw/zinc/26/60/90/279266090.db2.gz XHYCYERNJCOGIV-RYQLBKOJSA-N 1 3 319.493 2.336 20 0 DEADHO C[C@@H](CN1CCC[C@](C)(O)CC1)C[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000348392198 279310027 /nfs/dbraw/zinc/31/00/27/279310027.db2.gz APRBAHVYBNNIKT-NNZMDNLPSA-N 1 3 312.498 2.096 20 0 DEADHO C[C@@H](CN1CCC[C@](C)(O)CC1)C[N@H+]1CCC[C@@](C)(O)CC1 ZINC000348392198 279310029 /nfs/dbraw/zinc/31/00/29/279310029.db2.gz APRBAHVYBNNIKT-NNZMDNLPSA-N 1 3 312.498 2.096 20 0 DEADHO C[C@H](CN1CCC[C@@](C)(O)CC1)C[N@@H+]1CCC[C@](C)(O)CC1 ZINC000348392198 279310031 /nfs/dbraw/zinc/31/00/31/279310031.db2.gz APRBAHVYBNNIKT-NNZMDNLPSA-N 1 3 312.498 2.096 20 0 DEADHO C[C@H](CN1CCC[C@@](C)(O)CC1)C[N@H+]1CCC[C@](C)(O)CC1 ZINC000348392198 279310032 /nfs/dbraw/zinc/31/00/32/279310032.db2.gz APRBAHVYBNNIKT-NNZMDNLPSA-N 1 3 312.498 2.096 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000440175261 279311059 /nfs/dbraw/zinc/31/10/59/279311059.db2.gz BIUKUMJYONVEGK-SJORKVTESA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000440175261 279311061 /nfs/dbraw/zinc/31/10/61/279311061.db2.gz BIUKUMJYONVEGK-SJORKVTESA-N 1 3 324.513 2.280 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnn(C(C)C)c1 ZINC000349060861 279329907 /nfs/dbraw/zinc/32/99/07/279329907.db2.gz GPIYAYVKHCXGAQ-SFHVURJKSA-N 1 3 321.513 2.312 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnn(C(C)C)c1 ZINC000349060861 279329908 /nfs/dbraw/zinc/32/99/08/279329908.db2.gz GPIYAYVKHCXGAQ-SFHVURJKSA-N 1 3 321.513 2.312 20 0 DEADHO CCN1CCN(CCCC[NH2+][C@H](COC)C2CCCC2)CC1 ZINC000446750910 279357044 /nfs/dbraw/zinc/35/70/44/279357044.db2.gz JIEKDMXJKKNLOZ-GOSISDBHSA-N 1 3 311.514 2.199 20 0 DEADHO CCO[C@@H]1C[C@@H]([NH2+]CC2(O)CCN(C)CC2)C12CCCCC2 ZINC000344095124 279814031 /nfs/dbraw/zinc/81/40/31/279814031.db2.gz HGZSJWNNSHKBRW-HZPDHXFCSA-N 1 3 310.482 2.161 20 0 DEADHO CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)C(C)C)C2 ZINC001423562389 1173410979 /nfs/dbraw/zinc/41/09/79/1173410979.db2.gz MQYFVVXQXODIRT-GOSISDBHSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)C(C)C)C2 ZINC001423562389 1173410983 /nfs/dbraw/zinc/41/09/83/1173410983.db2.gz MQYFVVXQXODIRT-GOSISDBHSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000433166270 280236676 /nfs/dbraw/zinc/23/66/76/280236676.db2.gz FOTPJFZZEPWSEQ-YCPHGPKFSA-N 1 3 323.506 2.478 20 0 DEADHO CC(C)[C@H](CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+])Nc1ccccc1 ZINC000422974380 280255172 /nfs/dbraw/zinc/25/51/72/280255172.db2.gz DUMNQHJDNNYNSB-OWLYRPNTSA-N 1 3 305.466 2.465 20 0 DEADHO CC(C)[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N)Nc1ccccc1 ZINC000422974380 280255176 /nfs/dbraw/zinc/25/51/76/280255176.db2.gz DUMNQHJDNNYNSB-OWLYRPNTSA-N 1 3 305.466 2.465 20 0 DEADHO CC[C@H](O)[C@H](CC)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423150360 281006620 /nfs/dbraw/zinc/00/66/20/281006620.db2.gz BSFFNMKZCARZQZ-NBOOPKSLSA-N 1 3 304.434 2.381 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CCCCN1CC ZINC000303592881 281056347 /nfs/dbraw/zinc/05/63/47/281056347.db2.gz MPWQRWXXCYRMHQ-DLBZAZTESA-N 1 3 324.513 2.425 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1CCCCN1CC ZINC000303592881 281056349 /nfs/dbraw/zinc/05/63/49/281056349.db2.gz MPWQRWXXCYRMHQ-DLBZAZTESA-N 1 3 324.513 2.425 20 0 DEADHO CCC(CC)(C[NH3+])C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000236678325 282071579 /nfs/dbraw/zinc/07/15/79/282071579.db2.gz WYXRQZJMKBXPID-HNNXBMFYSA-N 1 3 305.466 2.388 20 0 DEADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000418141594 289015635 /nfs/dbraw/zinc/01/56/35/289015635.db2.gz WYGQUEHGQHHGMO-ZMSDIMECSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000418141594 289015637 /nfs/dbraw/zinc/01/56/37/289015637.db2.gz WYGQUEHGQHHGMO-ZMSDIMECSA-N 1 3 322.497 2.175 20 0 DEADHO CN(C)C(=O)c1cccc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420333090 289032308 /nfs/dbraw/zinc/03/23/08/289032308.db2.gz SKTAORKEALKTHB-QZTJIDSGSA-N 1 3 315.461 2.210 20 0 DEADHO CN(C)C(=O)c1ccccc1CN(C)CC1CC[NH+](C)CC1 ZINC000417770872 289034137 /nfs/dbraw/zinc/03/41/37/289034137.db2.gz ULDBPRJMWNQROB-UHFFFAOYSA-N 1 3 303.450 2.162 20 0 DEADHO CN(C)C(=O)c1ccccc1C[N@H+](C)CC1CCN(C)CC1 ZINC000417770872 289034138 /nfs/dbraw/zinc/03/41/38/289034138.db2.gz ULDBPRJMWNQROB-UHFFFAOYSA-N 1 3 303.450 2.162 20 0 DEADHO CN(C)C(=O)c1ccccc1C[N@@H+](C)CC1CCN(C)CC1 ZINC000417770872 289034139 /nfs/dbraw/zinc/03/41/39/289034139.db2.gz ULDBPRJMWNQROB-UHFFFAOYSA-N 1 3 303.450 2.162 20 0 DEADHO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420344570 289316207 /nfs/dbraw/zinc/31/62/07/289316207.db2.gz UDLMHHIPXOZRQF-HPFXQQBRSA-N 1 3 321.509 2.343 20 0 DEADHO CN(C)[C@H](CNC(=O)N1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000105075219 289356007 /nfs/dbraw/zinc/35/60/07/289356007.db2.gz UWTFXDSVZYVGKZ-DLBZAZTESA-N 1 3 318.465 2.025 20 0 DEADHO CN1CCC(C[NH2+]C2CCC(C)(C)CC2)(N2CCOCC2)CC1 ZINC000414182206 289878652 /nfs/dbraw/zinc/87/86/52/289878652.db2.gz CWIOZJRCDWWXJE-UHFFFAOYSA-N 1 3 323.525 2.341 20 0 DEADHO C[C@@H]1CN(C[C@@H]2CCCN2CCC[NH+]2CCCCC2)C[C@@H](C)O1 ZINC000125015018 297018404 /nfs/dbraw/zinc/01/84/04/297018404.db2.gz FZCPDKZXFNWMDC-QRVBRYPASA-N 1 3 323.525 2.436 20 0 DEADHO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CCCN2CCCCC2)C[C@@H](C)O1 ZINC000125015018 297018405 /nfs/dbraw/zinc/01/84/05/297018405.db2.gz FZCPDKZXFNWMDC-QRVBRYPASA-N 1 3 323.525 2.436 20 0 DEADHO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2CCCN2CCCCC2)C[C@@H](C)O1 ZINC000125015018 297018407 /nfs/dbraw/zinc/01/84/07/297018407.db2.gz FZCPDKZXFNWMDC-QRVBRYPASA-N 1 3 323.525 2.436 20 0 DEADHO [NH3+]CC1(CC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC000423364988 295222329 /nfs/dbraw/zinc/22/23/29/295222329.db2.gz ZOHAKXPTCWYGTC-KRWDZBQOSA-N 1 3 315.461 2.286 20 0 DEADHO NC[C@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccccc1 ZINC000178752026 295260903 /nfs/dbraw/zinc/26/09/03/295260903.db2.gz RDFDSSGPGZKBQU-SFHVURJKSA-N 1 3 315.461 2.206 20 0 DEADHO NC[C@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccccc1 ZINC000178752026 295260904 /nfs/dbraw/zinc/26/09/04/295260904.db2.gz RDFDSSGPGZKBQU-SFHVURJKSA-N 1 3 315.461 2.206 20 0 DEADHO COc1cccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)N)c1 ZINC000423008268 295289087 /nfs/dbraw/zinc/28/90/87/295289087.db2.gz ZQMBKJCHKDQMBU-XOKHGSTOSA-N 1 3 306.450 2.315 20 0 DEADHO COc1cccc(C(C)(C)CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])c1 ZINC000423008268 295289091 /nfs/dbraw/zinc/28/90/91/295289091.db2.gz ZQMBKJCHKDQMBU-XOKHGSTOSA-N 1 3 306.450 2.315 20 0 DEADHO O=C(NCCC[NH+]1CCCCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000341449675 295641435 /nfs/dbraw/zinc/64/14/35/295641435.db2.gz IGJWQSPWPKPJFA-KRWDZBQOSA-N 1 3 322.497 2.132 20 0 DEADHO O=C(c1ccc2c(c1)CNC2)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000347527418 304537857 /nfs/dbraw/zinc/53/78/57/304537857.db2.gz RLBKBOJJTIOVOY-SFHVURJKSA-N 1 3 313.445 2.380 20 0 DEADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(C)C)CCC1(F)F ZINC001423745702 1173522348 /nfs/dbraw/zinc/52/23/48/1173522348.db2.gz DRWDDKDIHXPAPI-CQSZACIVSA-N 1 3 319.440 2.200 20 0 DEADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(C)C)CCC1(F)F ZINC001423745702 1173522354 /nfs/dbraw/zinc/52/23/54/1173522354.db2.gz DRWDDKDIHXPAPI-CQSZACIVSA-N 1 3 319.440 2.200 20 0 DEADHO Cc1ccc([C@H](CNC(=O)N[C@H](C[NH3+])CC(C)C)N(C)C)cc1 ZINC000417310208 301794928 /nfs/dbraw/zinc/79/49/28/301794928.db2.gz JSGDRJQZRIYSQI-IRXDYDNUSA-N 1 3 320.481 2.270 20 0 DEADHO Cc1ccccc1[C@H]1CCC[N@@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414677075 302217622 /nfs/dbraw/zinc/21/76/22/302217622.db2.gz OGPMQQSOCOUYRX-FUHWJXTLSA-N 1 3 315.461 2.329 20 0 DEADHO Cc1ccccc1[C@H]1CCC[N@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414677075 302217623 /nfs/dbraw/zinc/21/76/23/302217623.db2.gz OGPMQQSOCOUYRX-FUHWJXTLSA-N 1 3 315.461 2.329 20 0 DEADHO O=C(NCCC[C@H]1CCC[NH2+]1)N1CCC[C@@H]1CN1CCCCC1 ZINC000418752513 303770360 /nfs/dbraw/zinc/77/03/60/303770360.db2.gz TUQLAOICYYVGGP-IAGOWNOFSA-N 1 3 322.497 2.179 20 0 DEADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@@H]1CCO[C@@H]1C1CC1 ZINC000423009833 304858639 /nfs/dbraw/zinc/85/86/39/304858639.db2.gz FBKPUBIJOFMPOL-UKBAYJJMSA-N 1 3 314.429 2.399 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@H+](CC2CCCC2)[C@H](C)C1 ZINC001424557561 1173831232 /nfs/dbraw/zinc/83/12/32/1173831232.db2.gz HFLFJZPFEJGCMZ-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)[C@H](C)C1 ZINC001424557561 1173831238 /nfs/dbraw/zinc/83/12/38/1173831238.db2.gz HFLFJZPFEJGCMZ-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H]1CCN(CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000575210227 326229130 /nfs/dbraw/zinc/22/91/30/326229130.db2.gz AAZMPVVBYJRCMQ-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1CCN(CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000575210227 326229133 /nfs/dbraw/zinc/22/91/33/326229133.db2.gz AAZMPVVBYJRCMQ-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO C[NH+](C)C1(CNCCC(=O)Nc2cccnc2)CCCCC1 ZINC000576282475 326282649 /nfs/dbraw/zinc/28/26/49/326282649.db2.gz BNULMYPZDFZQSN-UHFFFAOYSA-N 1 3 304.438 2.264 20 0 DEADHO COc1ccc(CN(C)CCCN(C)CC[NH+](C)C)c(F)c1 ZINC000577406036 326364863 /nfs/dbraw/zinc/36/48/63/326364863.db2.gz ORKYOZKWFZPNMH-UHFFFAOYSA-N 1 3 311.445 2.150 20 0 DEADHO CN[C@@H](C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000577412837 326365241 /nfs/dbraw/zinc/36/52/41/326365241.db2.gz QZFFXBMESMVOPP-CABCVRRESA-N 1 3 303.450 2.143 20 0 DEADHO CN[C@@H](C)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000577412837 326365244 /nfs/dbraw/zinc/36/52/44/326365244.db2.gz QZFFXBMESMVOPP-CABCVRRESA-N 1 3 303.450 2.143 20 0 DEADHO COc1ccc(CN2CCC(C[NH2+][C@H](C)[C@H](C)O)CC2)cc1 ZINC000584226682 331870062 /nfs/dbraw/zinc/87/00/62/331870062.db2.gz IIJLVCROKOOURA-CABCVRRESA-N 1 3 306.450 2.266 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000582656018 337121562 /nfs/dbraw/zinc/12/15/62/337121562.db2.gz IEMDWGZLYFTKJE-CABCVRRESA-N 1 3 310.486 2.020 20 0 DEADHO CC[NH+]1CCC(NC[C@H](O)COc2cc(C)cc(C)c2)CC1 ZINC000395743737 337227526 /nfs/dbraw/zinc/22/75/26/337227526.db2.gz VTDJGRDDFXRASV-KRWDZBQOSA-N 1 3 306.450 2.117 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000583064620 337234823 /nfs/dbraw/zinc/23/48/23/337234823.db2.gz RTBOXUBIEATDBL-JKSUJKDBSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000583064620 337234824 /nfs/dbraw/zinc/23/48/24/337234824.db2.gz RTBOXUBIEATDBL-JKSUJKDBSA-N 1 3 324.513 2.136 20 0 DEADHO CN(C)C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000583089007 337239291 /nfs/dbraw/zinc/23/92/91/337239291.db2.gz GCMDCEWRUOYYNF-GJZGRUSLSA-N 1 3 323.868 2.053 20 0 DEADHO CN(C)C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000583089007 337239292 /nfs/dbraw/zinc/23/92/92/337239292.db2.gz GCMDCEWRUOYYNF-GJZGRUSLSA-N 1 3 323.868 2.053 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CCCC[NH3+] ZINC000398178716 337308114 /nfs/dbraw/zinc/30/81/14/337308114.db2.gz WINOQXAMYXEUSG-WBVHZDCISA-N 1 3 303.450 2.142 20 0 DEADHO C[NH2+]CCCC(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000583814537 337337880 /nfs/dbraw/zinc/33/78/80/337337880.db2.gz BHATVEAJSRBXHV-UHFFFAOYSA-N 1 3 318.465 2.146 20 0 DEADHO COc1cccc([C@@H](CN[C@@H](C)C2C[NH2+]C2)N2CCCC2)c1 ZINC000422751044 533718513 /nfs/dbraw/zinc/71/85/13/533718513.db2.gz BWAZGRHLQOPDNZ-KBXCAEBGSA-N 1 3 303.450 2.030 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@H+](C)CC1CC2(CCC2)C1 ZINC001378236557 1152241447 /nfs/dbraw/zinc/24/14/47/1152241447.db2.gz RMCVEILZUZMPAL-OAHLLOKOSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@@H+](C)CC1CC2(CCC2)C1 ZINC001378236557 1152241452 /nfs/dbraw/zinc/24/14/52/1152241452.db2.gz RMCVEILZUZMPAL-OAHLLOKOSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CC1CC1 ZINC001377070229 1159890499 /nfs/dbraw/zinc/89/04/99/1159890499.db2.gz VSRZIDUNNJAKGI-DYVFJYSZSA-N 1 3 313.461 2.093 20 0 DEADHO CC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc1csc(C)c1)N(C)C ZINC001378264958 1152261673 /nfs/dbraw/zinc/26/16/73/1152261673.db2.gz UFNFXFKFDROJCJ-LSDHHAIUSA-N 1 3 311.495 2.381 20 0 DEADHO O=C(NCCC[NH+]1CCCCCC1)c1cc2c(s1)CNCC2 ZINC001357338813 1152291497 /nfs/dbraw/zinc/29/14/97/1152291497.db2.gz YBXOBLOWEMVMJK-UHFFFAOYSA-N 1 3 321.490 2.390 20 0 DEADHO CC[C@@H](F)CN1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001377449054 1160377661 /nfs/dbraw/zinc/37/76/61/1160377661.db2.gz URMNGPRORUIPSL-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2CC[C@@H](C)F ZINC001377637318 1160636081 /nfs/dbraw/zinc/63/60/81/1160636081.db2.gz NBVDAOJOIZIUEA-OAGGEKHMSA-N 1 3 313.461 2.142 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2CC[C@@H](C)F ZINC001377637318 1160636091 /nfs/dbraw/zinc/63/60/91/1160636091.db2.gz NBVDAOJOIZIUEA-OAGGEKHMSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@H](F)CC[NH+]1CC([C@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001378536039 1152366254 /nfs/dbraw/zinc/36/62/54/1152366254.db2.gz FTUGXDYXNIZJLB-KBPBESRZSA-N 1 3 315.477 2.149 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cc(C)ccc1C)N(C)C ZINC001378578229 1152382198 /nfs/dbraw/zinc/38/21/98/1152382198.db2.gz JKFLHNSOFAYKCQ-MAUKXSAKSA-N 1 3 319.493 2.486 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001398690668 1161059383 /nfs/dbraw/zinc/05/93/83/1161059383.db2.gz NXYOHELSFIOJKC-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001398690668 1161059389 /nfs/dbraw/zinc/05/93/89/1161059389.db2.gz NXYOHELSFIOJKC-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](NC(=O)CN1CC[C@H](C)C1)C1CC[NH+](CCC2CC2)CC1 ZINC001369571006 1149044562 /nfs/dbraw/zinc/04/45/62/1149044562.db2.gz WUEPPPYMGQCAAO-HOTGVXAUSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CC[C@@H](C)F)N(C)C ZINC001368820433 1148688863 /nfs/dbraw/zinc/68/88/63/1148688863.db2.gz JJZDLPUORKKABA-PMPSAXMXSA-N 1 3 315.477 2.388 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)CC[C@@H](C)F)N(C)C ZINC001368820433 1148688866 /nfs/dbraw/zinc/68/88/66/1148688866.db2.gz JJZDLPUORKKABA-PMPSAXMXSA-N 1 3 315.477 2.388 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H](N)c1ccccc1 ZINC000417321057 533826658 /nfs/dbraw/zinc/82/66/58/533826658.db2.gz BBUWXMOCTBSREH-VYDXJSESSA-N 1 3 318.465 2.106 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H](N)c1ccccc1 ZINC000417321057 533826668 /nfs/dbraw/zinc/82/66/68/533826668.db2.gz BBUWXMOCTBSREH-VYDXJSESSA-N 1 3 318.465 2.106 20 0 DEADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCC(=O)NCc1ccccc1Cl ZINC000442752978 533840801 /nfs/dbraw/zinc/84/08/01/533840801.db2.gz FSQNRINXSNPBBV-CHWSQXEVSA-N 1 3 309.841 2.015 20 0 DEADHO C[C@@H]1C[C@H](CN)C[N@H+]1CCC(=O)NCc1ccccc1Cl ZINC000442752978 533840807 /nfs/dbraw/zinc/84/08/07/533840807.db2.gz FSQNRINXSNPBBV-CHWSQXEVSA-N 1 3 309.841 2.015 20 0 DEADHO C[C@@H]1C[C@H](C[NH3+])CN1CCC(=O)NCc1ccccc1Cl ZINC000442752978 533840813 /nfs/dbraw/zinc/84/08/13/533840813.db2.gz FSQNRINXSNPBBV-CHWSQXEVSA-N 1 3 309.841 2.015 20 0 DEADHO C[C@@H](CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)N(C)C1CC1 ZINC000417549834 533978008 /nfs/dbraw/zinc/97/80/08/533978008.db2.gz KALWBGMHYJETLS-YOEHRIQHSA-N 1 3 318.465 2.249 20 0 DEADHO Cc1ccc(CNC(=O)[C@@H](C)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443058215 534035883 /nfs/dbraw/zinc/03/58/83/534035883.db2.gz JTXVZBRBWPJIOB-WBVHZDCISA-N 1 3 303.450 2.061 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](c1ccccc1)N1CCOCC1 ZINC000422806513 534074526 /nfs/dbraw/zinc/07/45/26/534074526.db2.gz NLYOHJIJDGSIDK-BHIYHBOVSA-N 1 3 317.477 2.038 20 0 DEADHO Cc1ccc(CN[C@H](C)C[C@@H](C)[NH3+])c(-n2cc(Cl)cn2)n1 ZINC000423066851 534087483 /nfs/dbraw/zinc/08/74/83/534087483.db2.gz FNSURRQZARQSIN-ZYHUDNBSSA-N 1 3 307.829 2.445 20 0 DEADHO O=C(CCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCc2ccccc21 ZINC000422954454 534356978 /nfs/dbraw/zinc/35/69/78/534356978.db2.gz HOKBULIZFDJTAF-SJPCQFCGSA-N 1 3 313.445 2.229 20 0 DEADHO CN(CC(=O)N[C@H](C[NH2+]CC1CCC1)C1CC1)CC(C)(C)C ZINC001401882130 1162165124 /nfs/dbraw/zinc/16/51/24/1162165124.db2.gz XVTKTJIKYXNPMR-MRXNPFEDSA-N 1 3 309.498 2.249 20 0 DEADHO CC(C)N(C)CC(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000337014144 519606169 /nfs/dbraw/zinc/60/61/69/519606169.db2.gz JPPGIPYTDZZULJ-UHFFFAOYSA-N 1 3 319.493 2.350 20 0 DEADHO CCN1CCC(NC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000337371628 521575841 /nfs/dbraw/zinc/57/58/41/521575841.db2.gz RFXUSUHPVSXBFB-HOTGVXAUSA-N 1 3 324.513 2.138 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000111463297 521600505 /nfs/dbraw/zinc/60/05/05/521600505.db2.gz RNUMEJACGUDRIQ-KRWDZBQOSA-N 1 3 324.513 2.280 20 0 DEADHO [NH3+]CCC[C@@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000417685281 534620154 /nfs/dbraw/zinc/62/01/54/534620154.db2.gz ORASLURLVHCQHL-NVXWUHKLSA-N 1 3 316.449 2.003 20 0 DEADHO CC[C@H](N)C(=O)N(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000368453916 522323564 /nfs/dbraw/zinc/32/35/64/522323564.db2.gz NIEFOMXZMFGZJH-UAGQMJEPSA-N 1 3 303.450 2.408 20 0 DEADHO CC[C@H](N)C(=O)N(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000368453916 522323572 /nfs/dbraw/zinc/32/35/72/522323572.db2.gz NIEFOMXZMFGZJH-UAGQMJEPSA-N 1 3 303.450 2.408 20 0 DEADHO COC[C@@H]1CCCN(C/C=C/C[N@@H+]2CCC[C@H](COC)C2)C1 ZINC000112987028 522452832 /nfs/dbraw/zinc/45/28/32/522452832.db2.gz RBOFQIQNRNYVQQ-GEWVGOBGSA-N 1 3 310.482 2.259 20 0 DEADHO COC[C@@H]1CCCN(C/C=C/C[N@H+]2CCC[C@H](COC)C2)C1 ZINC000112987028 522452839 /nfs/dbraw/zinc/45/28/39/522452839.db2.gz RBOFQIQNRNYVQQ-GEWVGOBGSA-N 1 3 310.482 2.259 20 0 DEADHO COC[C@@H]1CCC[N@@H+](C/C=C/CN2CCC[C@H](COC)C2)C1 ZINC000112987028 522452843 /nfs/dbraw/zinc/45/28/43/522452843.db2.gz RBOFQIQNRNYVQQ-GEWVGOBGSA-N 1 3 310.482 2.259 20 0 DEADHO COC[C@@H]1CCC[N@H+](C/C=C/CN2CCC[C@H](COC)C2)C1 ZINC000112987028 522452847 /nfs/dbraw/zinc/45/28/47/522452847.db2.gz RBOFQIQNRNYVQQ-GEWVGOBGSA-N 1 3 310.482 2.259 20 0 DEADHO C[NH+](C)C1(CNC(=O)N2CCN(C3CCCC3)CC2)CCCC1 ZINC000339485887 524036193 /nfs/dbraw/zinc/03/61/93/524036193.db2.gz GOOCERGMDLDVKR-UHFFFAOYSA-N 1 3 322.497 2.131 20 0 DEADHO C[C@H]1CCC[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000104816436 524165822 /nfs/dbraw/zinc/16/58/22/524165822.db2.gz XDVGMTVTVWKUBT-YOEHRIQHSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N(C)CCN1CCCC1 ZINC000112745947 524363490 /nfs/dbraw/zinc/36/34/90/524363490.db2.gz VPCAFPXRDOVQBI-BRWVUGGUSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)CCN1CCCC1 ZINC000112743462 526245904 /nfs/dbraw/zinc/24/59/04/526245904.db2.gz MPTZKMHWKMZXMR-KRWDZBQOSA-N 1 3 324.513 2.378 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(C)CCN1CCCC1 ZINC000112743462 526245909 /nfs/dbraw/zinc/24/59/09/526245909.db2.gz MPTZKMHWKMZXMR-KRWDZBQOSA-N 1 3 324.513 2.378 20 0 DEADHO CCN(CC)C(=O)CCCN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422954736 528010971 /nfs/dbraw/zinc/01/09/71/528010971.db2.gz IECOQGCVEKEGBQ-WBVHZDCISA-N 1 3 305.466 2.183 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H](N)c1ccccc1 ZINC000418200350 528350571 /nfs/dbraw/zinc/35/05/71/528350571.db2.gz PWQHPHGIJAQSAI-GDBMZVCRSA-N 1 3 306.454 2.106 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H](N)c1ccccc1 ZINC000418200350 528350575 /nfs/dbraw/zinc/35/05/75/528350575.db2.gz PWQHPHGIJAQSAI-GDBMZVCRSA-N 1 3 306.454 2.106 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1ccc2c(c1)CNC2 ZINC000418193630 528355663 /nfs/dbraw/zinc/35/56/63/528355663.db2.gz CIISTQGTHNBLFH-AWEZNQCLSA-N 1 3 318.465 2.209 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NCc1ccc2c(c1)CNC2 ZINC000418193630 528355665 /nfs/dbraw/zinc/35/56/65/528355665.db2.gz CIISTQGTHNBLFH-AWEZNQCLSA-N 1 3 318.465 2.209 20 0 DEADHO CCN(CCC[NH+](C)C)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448254599 528437419 /nfs/dbraw/zinc/43/74/19/528437419.db2.gz FPNHCIDSTOSTLP-HNNXBMFYSA-N 1 3 312.502 2.090 20 0 DEADHO CC(C)N(C)c1ccccc1CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000423059116 528854298 /nfs/dbraw/zinc/85/42/98/528854298.db2.gz LELRPXSSKRWAEH-BHYGNILZSA-N 1 3 305.466 2.373 20 0 DEADHO CC(C)[C@H](CN[C@@H](C)C1C[NH2+]C1)N1CCc2ccccc2C1 ZINC000422937283 529014062 /nfs/dbraw/zinc/01/40/62/529014062.db2.gz JIYBDXYEJNMPSD-KXBFYZLASA-N 1 3 301.478 2.267 20 0 DEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@H](C)NC[C@H]2C)C1 ZINC000417590247 529296975 /nfs/dbraw/zinc/29/69/75/529296975.db2.gz WFEDPMWERRQKSM-ARFHVFGLSA-N 1 3 324.513 2.279 20 0 DEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@H](C)NC[C@H]2C)C1 ZINC000417590247 529296976 /nfs/dbraw/zinc/29/69/76/529296976.db2.gz WFEDPMWERRQKSM-ARFHVFGLSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)[NH+]1CCC(N2CCC[C@H](CC(C)(C)C(N)=O)C2)CC1 ZINC000453297194 535155111 /nfs/dbraw/zinc/15/51/11/535155111.db2.gz ZBNVCVZYIRLMAH-OAHLLOKOSA-N 1 3 309.498 2.473 20 0 DEADHO CC(C)N1CCc2nc(CN3CCC([C@H](C)[NH3+])CC3)sc2C1 ZINC000347069213 535252954 /nfs/dbraw/zinc/25/29/54/535252954.db2.gz OQWLMZVHQBSFJY-ZDUSSCGKSA-N 1 3 322.522 2.469 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000358107200 535257194 /nfs/dbraw/zinc/25/71/94/535257194.db2.gz SJLVDOCETBFCRC-CVEARBPZSA-N 1 3 322.497 2.010 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000358107200 535257201 /nfs/dbraw/zinc/25/72/01/535257201.db2.gz SJLVDOCETBFCRC-CVEARBPZSA-N 1 3 322.497 2.010 20 0 DEADHO CCN(C(=O)CN1CCC2(C1)CC[NH2+]CC2)C1CCCCC1 ZINC000358503691 535662223 /nfs/dbraw/zinc/66/22/23/535662223.db2.gz FEGXXESDRJJVMD-UHFFFAOYSA-N 1 3 307.482 2.243 20 0 DEADHO CCC[C@H]([NH2+]C(C)C)C(=O)NCC1(SC)CCN(C)CC1 ZINC000359271503 535697778 /nfs/dbraw/zinc/69/77/78/535697778.db2.gz MCAZTXBYKLJNBH-AWEZNQCLSA-N 1 3 315.527 2.097 20 0 DEADHO CN(C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000263145495 536047401 /nfs/dbraw/zinc/04/74/01/536047401.db2.gz CRMCWMRYQTZEDZ-WMZOPIPTSA-N 1 3 303.450 2.272 20 0 DEADHO CN(CCC1CC[NH2+]CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000359212816 536323325 /nfs/dbraw/zinc/32/33/25/536323325.db2.gz NNLXWXNDKIGJLN-KRWDZBQOSA-N 1 3 301.434 2.113 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCC(C)(C)C3)CC2)CC1 ZINC000359038811 536339687 /nfs/dbraw/zinc/33/96/87/536339687.db2.gz MANHNCVNHCINFX-HNNXBMFYSA-N 1 3 321.509 2.488 20 0 DEADHO COCCOc1ccc(CN2CCC([C@@H](C)[NH3+])CC2)cc1OC ZINC000347115183 536617535 /nfs/dbraw/zinc/61/75/35/536617535.db2.gz SXLINIDJWKKKTI-CQSZACIVSA-N 1 3 322.449 2.280 20 0 DEADHO COc1nccc(CNCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000449080901 537142972 /nfs/dbraw/zinc/14/29/72/537142972.db2.gz AFSWBWADAUKWPO-GASCZTMLSA-N 1 3 306.454 2.333 20 0 DEADHO COc1nccc(CNCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000449080901 537142974 /nfs/dbraw/zinc/14/29/74/537142974.db2.gz AFSWBWADAUKWPO-GASCZTMLSA-N 1 3 306.454 2.333 20 0 DEADHO CC1CCN(CC[C@H]2CCC[N@@H+]2CC[C@H]2CCNC2=O)CC1 ZINC001414031374 1152532332 /nfs/dbraw/zinc/53/23/32/1152532332.db2.gz BFTYSHYUDUBEHU-IAGOWNOFSA-N 1 3 307.482 2.099 20 0 DEADHO CC1CCN(CC[C@H]2CCC[N@H+]2CC[C@H]2CCNC2=O)CC1 ZINC001414031374 1152532337 /nfs/dbraw/zinc/53/23/37/1152532337.db2.gz BFTYSHYUDUBEHU-IAGOWNOFSA-N 1 3 307.482 2.099 20 0 DEADHO CC1CCN(CC[C@@H]2CCC[N@@H+]2CC[C@@H]2CCNC2=O)CC1 ZINC001414031381 1152532528 /nfs/dbraw/zinc/53/25/28/1152532528.db2.gz BFTYSHYUDUBEHU-IRXDYDNUSA-N 1 3 307.482 2.099 20 0 DEADHO CC1CCN(CC[C@@H]2CCC[N@H+]2CC[C@@H]2CCNC2=O)CC1 ZINC001414031381 1152532532 /nfs/dbraw/zinc/53/25/32/1152532532.db2.gz BFTYSHYUDUBEHU-IRXDYDNUSA-N 1 3 307.482 2.099 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)[C@@H]1CC)N(CC)CC ZINC001368698231 1148588812 /nfs/dbraw/zinc/58/88/12/1148588812.db2.gz DPQLDGVUXGHZEX-GVDBMIGSSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CC2)[C@@H]1CC)N(CC)CC ZINC001368698231 1148588829 /nfs/dbraw/zinc/58/88/29/1148588829.db2.gz DPQLDGVUXGHZEX-GVDBMIGSSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@]1(C)CCC[N@H+](CC2CC2)C1 ZINC001402214253 1162291601 /nfs/dbraw/zinc/29/16/01/1162291601.db2.gz RNBXEMHMRARLIT-MJGOQNOKSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@]1(C)CCC[N@@H+](CC2CC2)C1 ZINC001402214253 1162291605 /nfs/dbraw/zinc/29/16/05/1162291605.db2.gz RNBXEMHMRARLIT-MJGOQNOKSA-N 1 3 321.509 2.488 20 0 DEADHO CC/C=C/CC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001327866310 1148663072 /nfs/dbraw/zinc/66/30/72/1148663072.db2.gz ATLFQSJHAZMFEE-QRBHQTINSA-N 1 3 307.482 2.264 20 0 DEADHO C[C@@H](C[NH2+][C@@H](C)c1ccccc1F)NC(=O)CN(C)C1CCC1 ZINC001379513406 1152635073 /nfs/dbraw/zinc/63/50/73/1152635073.db2.gz AZZPGQQOMMNHPK-KBPBESRZSA-N 1 3 321.440 2.465 20 0 DEADHO CC[C@H](F)CN(C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001380956087 1152885426 /nfs/dbraw/zinc/88/54/26/1152885426.db2.gz FCTNSAYCESZZHY-JKSUJKDBSA-N 1 3 315.477 2.388 20 0 DEADHO CC[C@H](F)CN(C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001380956087 1152885430 /nfs/dbraw/zinc/88/54/30/1152885430.db2.gz FCTNSAYCESZZHY-JKSUJKDBSA-N 1 3 315.477 2.388 20 0 DEADHO C[C@H](F)CCN1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001008166302 625368207 /nfs/dbraw/zinc/36/82/07/625368207.db2.gz ZPHBLPMCHFJWLL-LSDHHAIUSA-N 1 3 313.461 2.190 20 0 DEADHO C(C[NH2+][C@H]1CCNC[C@H]1C1CCCC1)COC1CCOCC1 ZINC000925579575 625405015 /nfs/dbraw/zinc/40/50/15/625405015.db2.gz FQPRKHCOAMQNFN-ROUUACIJSA-N 1 3 310.482 2.330 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001020586145 622924858 /nfs/dbraw/zinc/92/48/58/622924858.db2.gz GMXICZBKSNTEKI-DJIMGWMZSA-N 1 3 305.466 2.208 20 0 DEADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@@H]2C)C1)c1ccccc1 ZINC001020586004 622925241 /nfs/dbraw/zinc/92/52/41/622925241.db2.gz BZNGZRULYHEAEQ-LAQRGFTBSA-N 1 3 315.461 2.469 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC001020588952 622926991 /nfs/dbraw/zinc/92/69/91/622926991.db2.gz RPPJAAIWJJPKCN-SZMVWBNQSA-N 1 3 315.461 2.074 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001020588713 622927065 /nfs/dbraw/zinc/92/70/65/622927065.db2.gz KAJLPIMXABAFTK-SZMVWBNQSA-N 1 3 319.493 2.456 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000969949197 623016027 /nfs/dbraw/zinc/01/60/27/623016027.db2.gz OLBZKJGVSWWCPR-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO CCc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)cc1 ZINC000969985666 623037960 /nfs/dbraw/zinc/03/79/60/623037960.db2.gz LNWRMADEXDAXSD-MSOLQXFVSA-N 1 3 317.477 2.280 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1)N(C)C ZINC000969985431 623038502 /nfs/dbraw/zinc/03/85/02/623038502.db2.gz HYHPLTSSLJZPGL-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccccc2)C1)N(C)C ZINC000969986344 623039647 /nfs/dbraw/zinc/03/96/47/623039647.db2.gz YGYPCARPTDJUDW-OIISXLGYSA-N 1 3 303.450 2.278 20 0 DEADHO Cc1cccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC000970717280 623640205 /nfs/dbraw/zinc/64/02/05/623640205.db2.gz MRWSAUQZJOGGOC-FUHWJXTLSA-N 1 3 315.461 2.342 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021607703 623824932 /nfs/dbraw/zinc/82/49/32/623824932.db2.gz XQTFVXIJRIIRSD-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021607703 623824938 /nfs/dbraw/zinc/82/49/38/623824938.db2.gz XQTFVXIJRIIRSD-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1 ZINC000971204802 624070007 /nfs/dbraw/zinc/07/00/07/624070007.db2.gz OTMJGWRFJYJZLQ-ROUUACIJSA-N 1 3 315.461 2.122 20 0 DEADHO Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1 ZINC000971204802 624070009 /nfs/dbraw/zinc/07/00/09/624070009.db2.gz OTMJGWRFJYJZLQ-ROUUACIJSA-N 1 3 315.461 2.122 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC001022714265 624867215 /nfs/dbraw/zinc/86/72/15/624867215.db2.gz SJAGTLRTCQRKQF-BHYGNILZSA-N 1 3 319.493 2.145 20 0 DEADHO CCC[N@H+](C)[C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972334203 624932509 /nfs/dbraw/zinc/93/25/09/624932509.db2.gz FUJPEHGLAKKBKQ-YOEHRIQHSA-N 1 3 313.461 2.142 20 0 DEADHO CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972334203 624932510 /nfs/dbraw/zinc/93/25/10/624932510.db2.gz FUJPEHGLAKKBKQ-YOEHRIQHSA-N 1 3 313.461 2.142 20 0 DEADHO CC1CCC(C[N@H+](C)[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC000972429430 625073955 /nfs/dbraw/zinc/07/39/55/625073955.db2.gz GLQXQHCSKZSDMQ-VMBOVVBDSA-N 1 3 318.465 2.311 20 0 DEADHO CC1CCC(C[N@@H+](C)[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC000972429430 625073960 /nfs/dbraw/zinc/07/39/60/625073960.db2.gz GLQXQHCSKZSDMQ-VMBOVVBDSA-N 1 3 318.465 2.311 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001024901839 625101494 /nfs/dbraw/zinc/10/14/94/625101494.db2.gz AHDMVTPVIUFYOI-HZPDHXFCSA-N 1 3 321.490 2.313 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001023125827 625163921 /nfs/dbraw/zinc/16/39/21/625163921.db2.gz YUKYATLOWQZPDU-LVYXFOGZSA-N 1 3 315.461 2.296 20 0 DEADHO CC1(C)CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]CC2CCC2)C1 ZINC001025084371 625199791 /nfs/dbraw/zinc/19/97/91/625199791.db2.gz VAFWWXIMNFCVFH-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CCC4CC4)[C@H]3C2)CCC1 ZINC001026282364 625257558 /nfs/dbraw/zinc/25/75/58/625257558.db2.gz RVWBMAMHJCUVBY-YESZJQIVSA-N 1 3 319.493 2.097 20 0 DEADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)c1ccccc1 ZINC001019775049 625832233 /nfs/dbraw/zinc/83/22/33/625832233.db2.gz UNYSIMMQZNRFEV-RDJZCZTQSA-N 1 3 301.434 2.034 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@H](NCCF)C(C)(C)C1 ZINC000995913822 633142428 /nfs/dbraw/zinc/14/24/28/633142428.db2.gz BTXQDNKFGAXLDS-GJZGRUSLSA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@H](NCCF)C(C)(C)C1 ZINC000995913822 633142430 /nfs/dbraw/zinc/14/24/30/633142430.db2.gz BTXQDNKFGAXLDS-GJZGRUSLSA-N 1 3 313.461 2.045 20 0 DEADHO CC[C@H](C(=O)N1C[C@H]([NH2+]CC2CCCC2)C(C)(C)C1)N(C)C ZINC000995947280 633144747 /nfs/dbraw/zinc/14/47/47/633144747.db2.gz JOOPWUZVHDJNLT-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)(C(=O)N1C[C@H]([NH2+]CCC2CC2)C(C)(C)C1)N1CCCC1 ZINC000996124842 633190908 /nfs/dbraw/zinc/19/09/08/633190908.db2.gz IDWFXDGZZXKOSV-INIZCTEOSA-N 1 3 321.509 2.488 20 0 DEADHO CCN1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974681692 633229764 /nfs/dbraw/zinc/22/97/64/633229764.db2.gz KQNVERMRVOUOER-CVEARBPZSA-N 1 3 307.482 2.240 20 0 DEADHO CCN1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974681692 633229775 /nfs/dbraw/zinc/22/97/75/633229775.db2.gz KQNVERMRVOUOER-CVEARBPZSA-N 1 3 307.482 2.240 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001026916092 633262776 /nfs/dbraw/zinc/26/27/76/633262776.db2.gz AHAXKUMYDZBWRO-DOTOQJQBSA-N 1 3 321.440 2.104 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccccc2F)C1)N(C)C ZINC001026916593 633262864 /nfs/dbraw/zinc/26/28/64/633262864.db2.gz LIZYBQGNEJWBJV-RHSMWYFYSA-N 1 3 321.440 2.104 20 0 DEADHO CC[C@H](C(=O)N1CCC([NH2+]CCc2cccs2)CC1)N(C)C ZINC000996713342 633366167 /nfs/dbraw/zinc/36/61/67/633366167.db2.gz UDGWVQPOGFCHNC-MRXNPFEDSA-N 1 3 323.506 2.211 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001027062759 633384439 /nfs/dbraw/zinc/38/44/39/633384439.db2.gz BFPZXIBOXPKCLW-WBVHZDCISA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001027064016 633385520 /nfs/dbraw/zinc/38/55/20/633385520.db2.gz XKMCVCDAUKGVPP-AEFFLSMTSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001027065173 633386089 /nfs/dbraw/zinc/38/60/89/633386089.db2.gz SCLXJVVHMHOJQC-HZPDHXFCSA-N 1 3 321.509 2.203 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H](O)c1cccc(Br)c1 ZINC000817928940 633569803 /nfs/dbraw/zinc/56/98/03/633569803.db2.gz INAXOMJFWCZDQM-OUJBWJOFSA-N 1 3 301.228 2.198 20 0 DEADHO CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC000997786150 633974287 /nfs/dbraw/zinc/97/42/87/633974287.db2.gz IIVRDGDOGSCISN-DOTOQJQBSA-N 1 3 309.498 2.486 20 0 DEADHO Cc1ccc([C@@H](CCn2cncn2)NCCC(C)(C)[NH3+])cc1 ZINC000925736522 634279844 /nfs/dbraw/zinc/27/98/44/634279844.db2.gz BBVGDKVMMDXCER-MRXNPFEDSA-N 1 3 301.438 2.435 20 0 DEADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]CCC2CCCC2)C1 ZINC000998536347 634318098 /nfs/dbraw/zinc/31/80/98/634318098.db2.gz RZUMRYQYNFAWJZ-OFLPRAFFSA-N 1 3 307.482 2.240 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCC1 ZINC001027919412 634966041 /nfs/dbraw/zinc/96/60/41/634966041.db2.gz VWKHMCISOQSFCC-IAGOWNOFSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCC1 ZINC001027919412 634966044 /nfs/dbraw/zinc/96/60/44/634966044.db2.gz VWKHMCISOQSFCC-IAGOWNOFSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1C[C@@H](C[NH2+]CC2=CCCCC2)CN1C(=O)CN1CCCC1 ZINC000980802566 635160134 /nfs/dbraw/zinc/16/01/34/635160134.db2.gz ZUIXWMSCNCCEBF-AEFFLSMTSA-N 1 3 319.493 2.409 20 0 DEADHO CCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1CC(C)C ZINC001027986354 635165885 /nfs/dbraw/zinc/16/58/85/635165885.db2.gz VGRVLEWGOLNHQW-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1CC(C)C ZINC001027986354 635165886 /nfs/dbraw/zinc/16/58/86/635165886.db2.gz VGRVLEWGOLNHQW-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001027986160 635169499 /nfs/dbraw/zinc/16/94/99/635169499.db2.gz SWLHRSLKYKAJOC-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CC1 ZINC001027986160 635169502 /nfs/dbraw/zinc/16/95/02/635169502.db2.gz SWLHRSLKYKAJOC-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)(C(=O)N1CCC[N@H+](CC2CC2)CC1)N1CCCCC1 ZINC000981165732 635346163 /nfs/dbraw/zinc/34/61/63/635346163.db2.gz ZIFMFAZMXCPXSP-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)(C(=O)N1CCC[N@@H+](CC2CC2)CC1)N1CCCCC1 ZINC000981165732 635346171 /nfs/dbraw/zinc/34/61/71/635346171.db2.gz ZIFMFAZMXCPXSP-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]([NH2+]CC3CC3)C2)c1 ZINC001000991868 635383749 /nfs/dbraw/zinc/38/37/49/635383749.db2.gz KCWNJYPEMYGBOF-GOSISDBHSA-N 1 3 315.461 2.352 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCN(CC[C@@H](C)F)CC1 ZINC000981283186 635421401 /nfs/dbraw/zinc/42/14/01/635421401.db2.gz ONJJVOMSFJWQIY-HZPDHXFCSA-N 1 3 313.461 2.143 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCN(CC[C@@H](C)F)CC1 ZINC000981283186 635421403 /nfs/dbraw/zinc/42/14/03/635421403.db2.gz ONJJVOMSFJWQIY-HZPDHXFCSA-N 1 3 313.461 2.143 20 0 DEADHO CCCN1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000981332360 635439098 /nfs/dbraw/zinc/43/90/98/635439098.db2.gz VBPDKYKTNXYXGH-KRWDZBQOSA-N 1 3 307.482 2.338 20 0 DEADHO CCCN1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000981332360 635439100 /nfs/dbraw/zinc/43/91/00/635439100.db2.gz VBPDKYKTNXYXGH-KRWDZBQOSA-N 1 3 307.482 2.338 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCC1CC[NH+](CCC2CC2)CC1 ZINC001001393373 635476169 /nfs/dbraw/zinc/47/61/69/635476169.db2.gz OPFIHMPDCHLVRU-SFHVURJKSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC2CCCC2)C1 ZINC000981486237 635500190 /nfs/dbraw/zinc/50/01/90/635500190.db2.gz MWZAELLTBLFFBK-JKSUJKDBSA-N 1 3 318.465 2.468 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCC1CC[NH+](CC(C)C)CC1 ZINC001001464345 635500960 /nfs/dbraw/zinc/50/09/60/635500960.db2.gz WIWVMFFIALAEFL-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCN2C(C)C)c(F)c1 ZINC001001525270 635522629 /nfs/dbraw/zinc/52/26/29/635522629.db2.gz WATWTUFAXFKUGR-QGZVFWFLSA-N 1 3 321.440 2.424 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCCN(C(=O)[C@H](C2CC2)N2CCCC2)CC1 ZINC000981682276 635593089 /nfs/dbraw/zinc/59/30/89/635593089.db2.gz KIHMTAXEUNVNQP-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C)C[N@H+]1CCCN(C(=O)[C@H](C2CC2)N2CCCC2)CC1 ZINC000981682276 635593093 /nfs/dbraw/zinc/59/30/93/635593093.db2.gz KIHMTAXEUNVNQP-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCCN(C(=O)C(C)(C)N2CCCC2)CC1 ZINC000981741037 635622839 /nfs/dbraw/zinc/62/28/39/635622839.db2.gz NQSAOKVMDBBQDL-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCCN(C(=O)C(C)(C)N2CCCC2)CC1 ZINC000981741037 635622843 /nfs/dbraw/zinc/62/28/43/635622843.db2.gz NQSAOKVMDBBQDL-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC1CC[NH+](CCC(C)C)CC1 ZINC001002956602 635860513 /nfs/dbraw/zinc/86/05/13/635860513.db2.gz WSNHXZAMXCJGIB-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC000982276630 635937098 /nfs/dbraw/zinc/93/70/98/635937098.db2.gz XIBINTPLMSDVEI-RYQLBKOJSA-N 1 3 307.482 2.050 20 0 DEADHO CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC000982276630 635937100 /nfs/dbraw/zinc/93/71/00/635937100.db2.gz XIBINTPLMSDVEI-RYQLBKOJSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)C3CCC3)C[C@@]2(C)C1 ZINC000982297900 635954789 /nfs/dbraw/zinc/95/47/89/635954789.db2.gz SGCKZJHBYCBHJB-KDURUIRLSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)C3CCC3)C[C@@]2(C)C1 ZINC000982297900 635954795 /nfs/dbraw/zinc/95/47/95/635954795.db2.gz SGCKZJHBYCBHJB-KDURUIRLSA-N 1 3 321.509 2.297 20 0 DEADHO Cc1cc(CN[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c(C)o1 ZINC000922388230 636142008 /nfs/dbraw/zinc/14/20/08/636142008.db2.gz NPGJCLIKOWFSQW-BRSBDYLESA-N 1 3 306.450 2.466 20 0 DEADHO Cc1cc(CN[C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)c(C)o1 ZINC000922388230 636142010 /nfs/dbraw/zinc/14/20/10/636142010.db2.gz NPGJCLIKOWFSQW-BRSBDYLESA-N 1 3 306.450 2.466 20 0 DEADHO COc1ccsc1CN[C@@H]1C[C@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922389471 636150636 /nfs/dbraw/zinc/15/06/36/636150636.db2.gz WFBZMIQWBZXUFC-UTJXIGIESA-N 1 3 324.490 2.326 20 0 DEADHO COc1ccsc1CN[C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922389471 636150638 /nfs/dbraw/zinc/15/06/38/636150638.db2.gz WFBZMIQWBZXUFC-UTJXIGIESA-N 1 3 324.490 2.326 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@]2(C)C[N@@H+](C(C)C)C[C@]2(C)C1)N(C)C ZINC000982520036 636218647 /nfs/dbraw/zinc/21/86/47/636218647.db2.gz LNGAWSUMOFYQPU-NXHRZFHOSA-N 1 3 309.498 2.151 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@]2(C)C[N@H+](C(C)C)C[C@]2(C)C1)N(C)C ZINC000982520036 636218650 /nfs/dbraw/zinc/21/86/50/636218650.db2.gz LNGAWSUMOFYQPU-NXHRZFHOSA-N 1 3 309.498 2.151 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001004547215 636484446 /nfs/dbraw/zinc/48/44/46/636484446.db2.gz MUZKSAUVVVYPAM-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001004547215 636484449 /nfs/dbraw/zinc/48/44/49/636484449.db2.gz MUZKSAUVVVYPAM-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)Cc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cn1 ZINC000894254172 636575877 /nfs/dbraw/zinc/57/58/77/636575877.db2.gz PZGXLMJUCAXNQL-UHFFFAOYSA-N 1 3 318.509 2.396 20 0 DEADHO CON1CCC([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)CC1 ZINC000924941485 636607552 /nfs/dbraw/zinc/60/75/52/636607552.db2.gz WQIHGJJCRPKRMH-SFHVURJKSA-N 1 3 317.477 2.166 20 0 DEADHO CCC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779189 636647006 /nfs/dbraw/zinc/64/70/06/636647006.db2.gz JJUYTWWITGJNNN-YESZJQIVSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779189 636647011 /nfs/dbraw/zinc/64/70/11/636647011.db2.gz JJUYTWWITGJNNN-YESZJQIVSA-N 1 3 307.482 2.051 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)N(C)C)CC[C@@H]2C1 ZINC000946784874 636652766 /nfs/dbraw/zinc/65/27/66/636652766.db2.gz YVDPJHYOXIFZEY-BBWFWOEESA-N 1 3 309.498 2.297 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)N(C)C)CC[C@@H]2C1 ZINC000946784874 636652771 /nfs/dbraw/zinc/65/27/71/636652771.db2.gz YVDPJHYOXIFZEY-BBWFWOEESA-N 1 3 309.498 2.297 20 0 DEADHO CN(C(=O)[C@@H]1CCCN1C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001005186197 636684870 /nfs/dbraw/zinc/68/48/70/636684870.db2.gz YOTDZFXGBUXNKL-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCCF)C1 ZINC001028845084 636782867 /nfs/dbraw/zinc/78/28/67/636782867.db2.gz FSLKAXHEHDUXPN-HOTGVXAUSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCCF)C1 ZINC001028845084 636782871 /nfs/dbraw/zinc/78/28/71/636782871.db2.gz FSLKAXHEHDUXPN-HOTGVXAUSA-N 1 3 313.461 2.047 20 0 DEADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cnn(C2CCC2)c1 ZINC000894453313 637046864 /nfs/dbraw/zinc/04/68/64/637046864.db2.gz FAYDMFUFOZUUFS-UHFFFAOYSA-N 1 3 319.497 2.066 20 0 DEADHO CN(C)CCC[N@H+](C)CCNc1ccc(-c2ccncc2)cn1 ZINC000894521545 637084417 /nfs/dbraw/zinc/08/44/17/637084417.db2.gz PTHKRODZLRRZGG-UHFFFAOYSA-N 1 3 313.449 2.439 20 0 DEADHO CN(C)CCC[N@@H+](C)CCNc1ccc(-c2ccncc2)cn1 ZINC000894521545 637084422 /nfs/dbraw/zinc/08/44/22/637084422.db2.gz PTHKRODZLRRZGG-UHFFFAOYSA-N 1 3 313.449 2.439 20 0 DEADHO c1ccc([C@H]2CSCCN2C[C@@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923300183 637093386 /nfs/dbraw/zinc/09/33/86/637093386.db2.gz DABDXWSLYWSKKV-JKSUJKDBSA-N 1 3 304.459 2.155 20 0 DEADHO O[C@H](CCc1ccccc1)CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000923329750 637112430 /nfs/dbraw/zinc/11/24/30/637112430.db2.gz YGLNKXFPQMIOIP-IPMKNSEASA-N 1 3 302.462 2.444 20 0 DEADHO Cc1ccc(Cl)c(OC[C@H](O)CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000923330968 637113697 /nfs/dbraw/zinc/11/36/97/637113697.db2.gz DVUPOOCUEAGWIC-KNCOVGOOSA-N 1 3 324.852 2.057 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]2CN(C[C@@H](O)COc3ccc(Cl)cc3)C[C@H]21 ZINC000923333412 637120490 /nfs/dbraw/zinc/12/04/90/637120490.db2.gz QTEYASXJRLEHDC-ODVANORSSA-N 1 3 324.852 2.139 20 0 DEADHO O[C@@H](CN1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccc(F)c(F)c1 ZINC000923356022 637136324 /nfs/dbraw/zinc/13/63/24/637136324.db2.gz DOGUMHPJAOZNJT-PBHICJAKSA-N 1 3 310.388 2.320 20 0 DEADHO C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC000923369552 637140897 /nfs/dbraw/zinc/14/08/97/637140897.db2.gz KPEIWLQRFCCQMB-XEQNPHJVSA-N 1 3 300.805 2.489 20 0 DEADHO COc1ccc([C@H]2CCCN2C[C@@H]2CC3(C[NH2+]C3)CO2)cc1F ZINC000923392484 637154063 /nfs/dbraw/zinc/15/40/63/637154063.db2.gz WTFAAHRNVCASFW-GOEBONIOSA-N 1 3 320.408 2.350 20 0 DEADHO Cc1ccc(C)c(OC[C@@H](O)CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000923388671 637156001 /nfs/dbraw/zinc/15/60/01/637156001.db2.gz SZQGHWHGKDZBIY-LNLFQRSKSA-N 1 3 318.461 2.104 20 0 DEADHO CN1CCN(CC[NH2+]Cc2cccc3c2NCCC3)CC1(C)C ZINC000894659995 637157132 /nfs/dbraw/zinc/15/71/32/637157132.db2.gz GTAPIMQPFCJHLL-UHFFFAOYSA-N 1 3 316.493 2.160 20 0 DEADHO Fc1cccc(F)c1[C@H]1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923427237 637171631 /nfs/dbraw/zinc/17/16/31/637171631.db2.gz IPILUQNOGBEIDO-STQMWFEESA-N 1 3 308.372 2.133 20 0 DEADHO CCCN(Cc1ccc(C)cc1)C(=O)CN1CC[C@@H](CC[NH3+])C1 ZINC000923486631 637200672 /nfs/dbraw/zinc/20/06/72/637200672.db2.gz ISAXNTVGKZKGQC-GOSISDBHSA-N 1 3 317.477 2.404 20 0 DEADHO CCCC[C@H](C(=O)Nc1cc(C)on1)N1CC[C@@H](CC[NH3+])C1 ZINC000923486599 637200722 /nfs/dbraw/zinc/20/07/22/637200722.db2.gz ICSUWVYVLXCNIE-ZIAGYGMSSA-N 1 3 308.426 2.151 20 0 DEADHO Cc1cc(C)c(N2CC[C@@H](N3CC[C@H](CC[NH3+])C3)C2=O)c(C)c1 ZINC000923480499 637202233 /nfs/dbraw/zinc/20/22/33/637202233.db2.gz HUGQDDIVLRLAJZ-DLBZAZTESA-N 1 3 315.461 2.388 20 0 DEADHO CN(C(=O)CN1CC[C@H](CC[NH3+])C1)[C@H]1CCCc2ccccc21 ZINC000923490937 637210058 /nfs/dbraw/zinc/21/00/58/637210058.db2.gz YNZGFNGBTRNHQC-YJBOKZPZSA-N 1 3 315.461 2.193 20 0 DEADHO C[C@@H]1CCCCN1C(=O)CN1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923502778 637213031 /nfs/dbraw/zinc/21/30/31/637213031.db2.gz AFRKCGLMGQNHAA-SJORKVTESA-N 1 3 321.509 2.489 20 0 DEADHO Cc1ccc(N2CCC[C@H](N3CC[C@H](C[NH3+])[C@@H](C)C3)C2=O)cc1 ZINC000923497437 637214049 /nfs/dbraw/zinc/21/40/49/637214049.db2.gz LQGSWHFWGVNWII-JZXOWHBKSA-N 1 3 315.461 2.407 20 0 DEADHO Cc1ccc([C@H](C)NC(=O)CN2CC[C@H](C[NH3+])[C@@H](C)C2)cc1C ZINC000923503427 637216616 /nfs/dbraw/zinc/21/66/16/637216616.db2.gz IBNFAOUQBQLZAQ-XYJFISCASA-N 1 3 317.477 2.397 20 0 DEADHO O=C(CN1CCC([C@@H]2CCC[NH2+]CC2)CC1)N1CCCCC1 ZINC000923504066 637218445 /nfs/dbraw/zinc/21/84/45/637218445.db2.gz TXSFLBPUVZHANC-MRXNPFEDSA-N 1 3 307.482 2.101 20 0 DEADHO C[C@H]1[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CCN1C ZINC000928439591 637238350 /nfs/dbraw/zinc/23/83/50/637238350.db2.gz IWSHQCURRKUZGE-YOEHRIQHSA-N 1 3 301.434 2.105 20 0 DEADHO C[C@H]([NH2+]CC1CC1)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001029143280 637275920 /nfs/dbraw/zinc/27/59/20/637275920.db2.gz GHLYEHOXCGYVGY-HNNXBMFYSA-N 1 3 321.509 2.345 20 0 DEADHO CC1(C)COC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000895252012 637852806 /nfs/dbraw/zinc/85/28/06/637852806.db2.gz RNTAQZKJYIOCPF-KRWDZBQOSA-N 1 3 303.450 2.308 20 0 DEADHO COc1cc(CNCc2ccc(CC[NH3+])cc2)cc2c1OCO2 ZINC000841035446 650410049 /nfs/dbraw/zinc/41/00/49/650410049.db2.gz JCKOQCQYGAAACN-UHFFFAOYSA-N 1 3 314.385 2.215 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001029503214 639004840 /nfs/dbraw/zinc/00/48/40/639004840.db2.gz MQANWVHHGLUKBN-FGTMMUONSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001029503214 639004841 /nfs/dbraw/zinc/00/48/41/639004841.db2.gz MQANWVHHGLUKBN-FGTMMUONSA-N 1 3 319.493 2.335 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2=CCCCC2)C1 ZINC001029672501 639409902 /nfs/dbraw/zinc/40/99/02/639409902.db2.gz JOEMBFGYKUKVRY-QZTJIDSGSA-N 1 3 319.493 2.361 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2=CCCCC2)C1 ZINC001029672501 639409904 /nfs/dbraw/zinc/40/99/04/639409904.db2.gz JOEMBFGYKUKVRY-QZTJIDSGSA-N 1 3 319.493 2.361 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccsc2)C1 ZINC001029674669 639411224 /nfs/dbraw/zinc/41/12/24/639411224.db2.gz IDTSNOTZQVKILV-HOCLYGCPSA-N 1 3 321.490 2.123 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccsc2)C1 ZINC001029674669 639411228 /nfs/dbraw/zinc/41/12/28/639411228.db2.gz IDTSNOTZQVKILV-HOCLYGCPSA-N 1 3 321.490 2.123 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(Cl)nc2)CC1 ZINC000179105117 639463528 /nfs/dbraw/zinc/46/35/28/639463528.db2.gz NMAXQFXOCMKXIK-ZIAGYGMSSA-N 1 3 310.873 2.412 20 0 DEADHO C[C@H]1[C@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987065178 640071536 /nfs/dbraw/zinc/07/15/36/640071536.db2.gz IBSCQZJSQLDJAS-WMLDXEAASA-N 1 3 316.449 2.422 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@H]2C)cc1 ZINC000987520877 640212203 /nfs/dbraw/zinc/21/22/03/640212203.db2.gz UAOQJTTWMPTVOT-WMZOPIPTSA-N 1 3 315.461 2.170 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N2CCCC[C@H]2CC[NH3+])cc(Cl)n1 ZINC000841851644 650580126 /nfs/dbraw/zinc/58/01/26/650580126.db2.gz RVTAUVDIYGJBDF-UONOGXRCSA-N 1 3 324.856 2.163 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCCN(CCCF)CC2)C1 ZINC000989483054 641120836 /nfs/dbraw/zinc/12/08/36/641120836.db2.gz KLEGMAMZPUHPNZ-HZPDHXFCSA-N 1 3 313.461 2.001 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000768956095 641149340 /nfs/dbraw/zinc/14/93/40/641149340.db2.gz IMDCZMDIPHGUCC-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000768956095 641149341 /nfs/dbraw/zinc/14/93/41/641149341.db2.gz IMDCZMDIPHGUCC-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CCC[N@H+](CC2CC2)CC1 ZINC000989737773 641215844 /nfs/dbraw/zinc/21/58/44/641215844.db2.gz ZIGHIEOSNSHBBL-UHFFFAOYSA-N 1 3 315.461 2.306 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CCC[N@@H+](CC2CC2)CC1 ZINC000989737773 641215846 /nfs/dbraw/zinc/21/58/46/641215846.db2.gz ZIGHIEOSNSHBBL-UHFFFAOYSA-N 1 3 315.461 2.306 20 0 DEADHO Cc1cc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)cs1 ZINC000989801088 641229637 /nfs/dbraw/zinc/22/96/37/641229637.db2.gz YBZRWYQFQUNNAM-CZUORRHYSA-N 1 3 321.490 2.231 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)CN1C(=O)CN1CCCC1 ZINC000989798804 641236714 /nfs/dbraw/zinc/23/67/14/641236714.db2.gz GGJLQINLLXAVFR-GDBMZVCRSA-N 1 3 307.482 2.097 20 0 DEADHO CCc1noc(C)c1[C@@H](C)NCCC[N@@H+]1CCCN(C)CC1 ZINC000769874593 641304366 /nfs/dbraw/zinc/30/43/66/641304366.db2.gz PPOWLDBPNDZSTH-CQSZACIVSA-N 1 3 308.470 2.224 20 0 DEADHO CCc1noc(C)c1[C@@H](C)NCCC[N@H+]1CCCN(C)CC1 ZINC000769874593 641304371 /nfs/dbraw/zinc/30/43/71/641304371.db2.gz PPOWLDBPNDZSTH-CQSZACIVSA-N 1 3 308.470 2.224 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]CC2CC3(CCC3)C2)CC1 ZINC000990275615 641429798 /nfs/dbraw/zinc/42/97/98/641429798.db2.gz BWCIMQQZKVTFON-QGZVFWFLSA-N 1 3 319.493 2.242 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H]2CCOC23CCCCC3)CC1 ZINC000924658802 641549568 /nfs/dbraw/zinc/54/95/68/641549568.db2.gz MVSKSPLEXFHCMM-KRWDZBQOSA-N 1 3 309.498 2.095 20 0 DEADHO CCC[NH+]1CCC(NC[C@H](O)CC[C@@H](O)c2ccccc2)CC1 ZINC000899861760 642195367 /nfs/dbraw/zinc/19/53/67/642195367.db2.gz XWTNTSVAQXOJFN-RTBURBONSA-N 1 3 320.477 2.325 20 0 DEADHO C[C@@H]1CN(C(=O)Nc2cccc(CN(C)C)c2)CC[C@H]1C[NH3+] ZINC000900473368 642387607 /nfs/dbraw/zinc/38/76/07/642387607.db2.gz CRJRQGHUYKCKEV-HIFRSBDPSA-N 1 3 304.438 2.197 20 0 DEADHO COc1ccc2c(c1)[nH+]ccc2N1CCN(CCO)C(C)(C)C1 ZINC000780630135 642651944 /nfs/dbraw/zinc/65/19/44/642651944.db2.gz FBVNZKOBPBQKBK-UHFFFAOYSA-N 1 3 315.417 2.136 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781403480 642747766 /nfs/dbraw/zinc/74/77/66/642747766.db2.gz YLHBMUGUOPNVRV-CABCVRRESA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000781403480 642747771 /nfs/dbraw/zinc/74/77/71/642747771.db2.gz YLHBMUGUOPNVRV-CABCVRRESA-N 1 3 307.482 2.240 20 0 DEADHO CN1CCC(NC(=S)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000782210962 642842540 /nfs/dbraw/zinc/84/25/40/642842540.db2.gz CPDGOMSZQPGOAU-UHFFFAOYSA-N 1 3 320.506 2.171 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+]Cc2cc(C)ccc2NC)CC1 ZINC000902067533 642907754 /nfs/dbraw/zinc/90/77/54/642907754.db2.gz OKCSXKFYPJTYIY-MRXNPFEDSA-N 1 3 304.482 2.152 20 0 DEADHO Cc1cccc(OC[C@@H](O)CN[C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902348913 643003968 /nfs/dbraw/zinc/00/39/68/643003968.db2.gz NZDRZJGBKAEHFY-HOTGVXAUSA-N 1 3 306.450 2.103 20 0 DEADHO Cc1cccc(C)c1OC[C@@H](O)CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902349680 643004322 /nfs/dbraw/zinc/00/43/22/643004322.db2.gz QAKVMIWEYLSODE-IRXDYDNUSA-N 1 3 320.477 2.411 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000902460251 643048270 /nfs/dbraw/zinc/04/82/70/643048270.db2.gz FVUXJKGZHTXWJU-RVSPLBMKSA-N 1 3 301.434 2.459 20 0 DEADHO CC[C@](C)(NC[C@H]1C[C@@]2(CC[NH2+]C2)CO1)c1nc(C)cs1 ZINC000903740128 643450594 /nfs/dbraw/zinc/45/05/94/643450594.db2.gz DWHWTBPMEDUBGZ-VNQPRFMTSA-N 1 3 309.479 2.435 20 0 DEADHO Cc1nn(C)cc1[C@@H]1CCCN1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903740277 643451012 /nfs/dbraw/zinc/45/10/12/643451012.db2.gz FRBAYHBPTYRANZ-WBVHZDCISA-N 1 3 318.465 2.024 20 0 DEADHO CC(C)N(C)C(=O)[C@@H](C)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794486 643458523 /nfs/dbraw/zinc/45/85/23/643458523.db2.gz XBCZZUNRWTVOPW-MRXNPFEDSA-N 1 3 317.477 2.234 20 0 DEADHO Fc1cccc(O[C@@H]2CCN(C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C2)c1 ZINC000903779443 643459500 /nfs/dbraw/zinc/45/95/00/643459500.db2.gz ZJPUVNNLDXCHMM-SQNIBIBYSA-N 1 3 320.408 2.047 20 0 DEADHO C[C@H]1CCCC[C@@H]1OCC[N@@H+]1CCNCCC12CCOCC2 ZINC000903814483 643471621 /nfs/dbraw/zinc/47/16/21/643471621.db2.gz DVLWRKLBHSCKKS-IRXDYDNUSA-N 1 3 310.482 2.426 20 0 DEADHO C[C@H]1CCCC[C@@H]1OCC[N@H+]1CCNCCC12CCOCC2 ZINC000903814483 643471626 /nfs/dbraw/zinc/47/16/26/643471626.db2.gz DVLWRKLBHSCKKS-IRXDYDNUSA-N 1 3 310.482 2.426 20 0 DEADHO C(CC1CC[NH2+]CC1)CN1CCOC[C@H]1CC1CCOCC1 ZINC000903850400 643483867 /nfs/dbraw/zinc/48/38/67/643483867.db2.gz PTHGAOJDIYEOCJ-GOSISDBHSA-N 1 3 310.482 2.284 20 0 DEADHO CCCO[C@H]1CCCN(C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903893699 643499070 /nfs/dbraw/zinc/49/90/70/643499070.db2.gz YUEOWXOALZVXKU-WMZOPIPTSA-N 1 3 322.497 2.127 20 0 DEADHO CCCO[C@H]1CCC[N@H+](C[C@H](CN)Cc2cnn(C)c2C)CC1 ZINC000903893699 643499074 /nfs/dbraw/zinc/49/90/74/643499074.db2.gz YUEOWXOALZVXKU-WMZOPIPTSA-N 1 3 322.497 2.127 20 0 DEADHO CCCO[C@H]1CCC[N@@H+](C[C@H](CN)Cc2cnn(C)c2C)CC1 ZINC000903893699 643499077 /nfs/dbraw/zinc/49/90/77/643499077.db2.gz YUEOWXOALZVXKU-WMZOPIPTSA-N 1 3 322.497 2.127 20 0 DEADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCC[C@@H](C2CCC2)C1 ZINC000903933588 643513929 /nfs/dbraw/zinc/51/39/29/643513929.db2.gz SLFHGUQIAWRDQH-HZPDHXFCSA-N 1 3 303.454 2.215 20 0 DEADHO Cc1c(C[C@@H](CN)C[N@@H+]2CCC[C@H](C3CCC3)C2)cnn1C ZINC000903933010 643514086 /nfs/dbraw/zinc/51/40/86/643514086.db2.gz JPMZVOZVEWMXFM-RDJZCZTQSA-N 1 3 304.482 2.358 20 0 DEADHO Cc1c(C[C@@H](CN)C[N@H+]2CCC[C@H](C3CCC3)C2)cnn1C ZINC000903933010 643514088 /nfs/dbraw/zinc/51/40/88/643514088.db2.gz JPMZVOZVEWMXFM-RDJZCZTQSA-N 1 3 304.482 2.358 20 0 DEADHO Cc1c(C[C@H](C[NH3+])CN2Cc3ccccc3[C@@H](C)C2)cnn1C ZINC000903937555 643516025 /nfs/dbraw/zinc/51/60/25/643516025.db2.gz NEIAFAQVCRIPNA-GOEBONIOSA-N 1 3 312.461 2.465 20 0 DEADHO Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CNCCC2(F)F)o1 ZINC000903957059 643517512 /nfs/dbraw/zinc/51/75/12/643517512.db2.gz PIEDERIQJMQAQN-GFCCVEGCSA-N 1 3 310.348 2.313 20 0 DEADHO COC(=O)[C@@](C)(CNC[C@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000904368173 643646888 /nfs/dbraw/zinc/64/68/88/643646888.db2.gz IXAUBSHPNFXVHT-MSOLQXFVSA-N 1 3 304.434 2.097 20 0 DEADHO COc1ccccc1-n1nccc1CN1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904411989 643662890 /nfs/dbraw/zinc/66/28/90/643662890.db2.gz YPHGMCVXKUXEMP-LSDHHAIUSA-N 1 3 314.433 2.298 20 0 DEADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000905053651 643772785 /nfs/dbraw/zinc/77/27/85/643772785.db2.gz BVGYFLUESYGBHY-MSOLQXFVSA-N 1 3 320.477 2.324 20 0 DEADHO C[C@H](C[NH2+]C[C@@H](O)CC1(CO)CCCC1)CN1CCCCC1 ZINC000905054965 643775903 /nfs/dbraw/zinc/77/59/03/643775903.db2.gz MBUYLETWNCXJHW-SJORKVTESA-N 1 3 312.498 2.002 20 0 DEADHO C[C@H](CNC[C@@H](O)CC1(CO)CCCC1)C[NH+]1CCCCC1 ZINC000905054965 643775908 /nfs/dbraw/zinc/77/59/08/643775908.db2.gz MBUYLETWNCXJHW-SJORKVTESA-N 1 3 312.498 2.002 20 0 DEADHO C[C@@](O)(CNC[C@H]1CC[N@@H+](C2CC2)C1)C(F)(F)C(F)(F)F ZINC000905058060 643782928 /nfs/dbraw/zinc/78/29/28/643782928.db2.gz CFCIMQADFDCSAZ-MWLCHTKSSA-N 1 3 316.314 2.009 20 0 DEADHO C[C@@](O)(CNC[C@H]1CC[N@H+](C2CC2)C1)C(F)(F)C(F)(F)F ZINC000905058060 643782932 /nfs/dbraw/zinc/78/29/32/643782932.db2.gz CFCIMQADFDCSAZ-MWLCHTKSSA-N 1 3 316.314 2.009 20 0 DEADHO C[C@@](O)(C[NH2+]C[C@H]1CCN(C2CC2)C1)C(F)(F)C(F)(F)F ZINC000905058060 643782934 /nfs/dbraw/zinc/78/29/34/643782934.db2.gz CFCIMQADFDCSAZ-MWLCHTKSSA-N 1 3 316.314 2.009 20 0 DEADHO O[C@@H](CNC[C@H]1CC[N@@H+]1C1CCCCCC1)C1(O)CCCC1 ZINC000905407829 643897377 /nfs/dbraw/zinc/89/73/77/643897377.db2.gz FUIHLFMJTVXUOL-SJORKVTESA-N 1 3 310.482 2.039 20 0 DEADHO O[C@@H](CNC[C@H]1CC[N@H+]1C1CCCCCC1)C1(O)CCCC1 ZINC000905407829 643897379 /nfs/dbraw/zinc/89/73/79/643897379.db2.gz FUIHLFMJTVXUOL-SJORKVTESA-N 1 3 310.482 2.039 20 0 DEADHO C[N@@H+]1CC[C@H](NCc2ccc(-n3ccnc3)nc2)[C@H]2CCC[C@H]21 ZINC000796682007 644775609 /nfs/dbraw/zinc/77/56/09/644775609.db2.gz IXJKARWTRDRATJ-IXDOHACOSA-N 1 3 311.433 2.230 20 0 DEADHO C[N@H+]1CC[C@H](NCc2ccc(-n3ccnc3)nc2)[C@H]2CCC[C@H]21 ZINC000796682007 644775615 /nfs/dbraw/zinc/77/56/15/644775615.db2.gz IXJKARWTRDRATJ-IXDOHACOSA-N 1 3 311.433 2.230 20 0 DEADHO C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000798499091 645027337 /nfs/dbraw/zinc/02/73/37/645027337.db2.gz LOBUOOXMCIQVAK-QRQLOZEOSA-N 1 3 301.478 2.438 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806131675 645801259 /nfs/dbraw/zinc/80/12/59/645801259.db2.gz LOIJUTVTVRUFOC-UKRRQHHQSA-N 1 3 322.884 2.338 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810246524 646344081 /nfs/dbraw/zinc/34/40/81/646344081.db2.gz BPWJLDAXJVFNLR-WMLDXEAASA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810246524 646344085 /nfs/dbraw/zinc/34/40/85/646344085.db2.gz BPWJLDAXJVFNLR-WMLDXEAASA-N 1 3 313.461 2.045 20 0 DEADHO C[NH+]1CCC([C@H]2CCN(CN3C(=O)C(C)(C)[C@H]3C3CC3)C2)CC1 ZINC000811759258 646571094 /nfs/dbraw/zinc/57/10/94/646571094.db2.gz CARFFKQPWBLTMX-DLBZAZTESA-N 1 3 319.493 2.255 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CCC(C)(C)C2)CC1 ZINC000948770386 646620827 /nfs/dbraw/zinc/62/08/27/646620827.db2.gz HFHIZTILZVGGLC-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](N(C)C(=O)CN2CCC(C)(C)C2)CC1 ZINC000948770386 646620832 /nfs/dbraw/zinc/62/08/32/646620832.db2.gz HFHIZTILZVGGLC-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H]1CN(CCCC[NH2+]Cc2cnn(C)c2Cl)C[C@H](C)O1 ZINC000815120473 646973768 /nfs/dbraw/zinc/97/37/68/646973768.db2.gz JFDGDQVQQFDJLI-STQMWFEESA-N 1 3 314.861 2.053 20 0 DEADHO CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC000948057398 647127967 /nfs/dbraw/zinc/12/79/67/647127967.db2.gz WBUVIOKJNBGYCB-RHSMWYFYSA-N 1 3 303.450 2.351 20 0 DEADHO CC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC000948057398 647127970 /nfs/dbraw/zinc/12/79/70/647127970.db2.gz WBUVIOKJNBGYCB-RHSMWYFYSA-N 1 3 303.450 2.351 20 0 DEADHO C[C@@H]1CCNC[C@@H]1[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC000817889190 647371380 /nfs/dbraw/zinc/37/13/80/647371380.db2.gz NTXSEPIEOZPABD-DDTOSNHZSA-N 1 3 302.340 2.326 20 0 DEADHO N[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000817899593 647376087 /nfs/dbraw/zinc/37/60/87/647376087.db2.gz HRAWTDMJFUJWJW-AGIUHOORSA-N 1 3 304.312 2.088 20 0 DEADHO O[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccco1 ZINC000817913885 647380334 /nfs/dbraw/zinc/38/03/34/647380334.db2.gz PHNWMFXKOATLBB-IIDMSEBBSA-N 1 3 314.385 2.159 20 0 DEADHO C[C@@H](NC1CCC(O)(c2cccnc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000817924496 647383114 /nfs/dbraw/zinc/38/31/14/647383114.db2.gz HGTYFCOVXUGMAC-YKWDICOMSA-N 1 3 303.450 2.332 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H](O)c1ccccc1Br ZINC000817934155 647385860 /nfs/dbraw/zinc/38/58/60/647385860.db2.gz BGVHXJAQHBYVEY-BPNCWPANSA-N 1 3 313.239 2.200 20 0 DEADHO CC(C)C[C@H](CN)[NH2+][C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000817958185 647393779 /nfs/dbraw/zinc/39/37/79/647393779.db2.gz INDRYDAWZMPHHR-QRQLOZEOSA-N 1 3 319.493 2.239 20 0 DEADHO CC(C)CN(C(=O)c1cccc(C[NH3+])c1)C1CCN(C)CC1 ZINC000818608909 647487423 /nfs/dbraw/zinc/48/74/23/647487423.db2.gz FZPBQZRYFSCZKL-UHFFFAOYSA-N 1 3 303.450 2.338 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(C[NH3+])c1 ZINC000818610758 647488275 /nfs/dbraw/zinc/48/82/75/647488275.db2.gz RVTWCCNHVCTAFL-BEFAXECRSA-N 1 3 323.440 2.396 20 0 DEADHO CC(C)N1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001015603278 647492438 /nfs/dbraw/zinc/49/24/38/647492438.db2.gz QMLNCMMJIKDVBA-NVXWUHKLSA-N 1 3 307.482 2.382 20 0 DEADHO CC(C)N1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001015603278 647492440 /nfs/dbraw/zinc/49/24/40/647492440.db2.gz QMLNCMMJIKDVBA-NVXWUHKLSA-N 1 3 307.482 2.382 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1)N(C)C ZINC000732135552 647544635 /nfs/dbraw/zinc/54/46/35/647544635.db2.gz HCUACRFVDLFKGD-KRWDZBQOSA-N 1 3 321.465 2.176 20 0 DEADHO C[C@H]1C[C@@H](NCCC(=O)Nc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000819105594 647584554 /nfs/dbraw/zinc/58/45/54/647584554.db2.gz MYYZHDSVLMBLDI-HOCLYGCPSA-N 1 3 318.465 2.154 20 0 DEADHO C[C@H]1C[C@@H](NCCC(=O)Nc2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000819105594 647584559 /nfs/dbraw/zinc/58/45/59/647584559.db2.gz MYYZHDSVLMBLDI-HOCLYGCPSA-N 1 3 318.465 2.154 20 0 DEADHO C[C@H]1[C@@H](NC(=O)C(C)(C)N2CCCC2)CCC[N@@H+]1CCCF ZINC000993683206 647724398 /nfs/dbraw/zinc/72/43/98/647724398.db2.gz LWPGSQUKXOXATJ-GJZGRUSLSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H]1[C@@H](NC(=O)C(C)(C)N2CCCC2)CCC[N@H+]1CCCF ZINC000993683206 647724399 /nfs/dbraw/zinc/72/43/99/647724399.db2.gz LWPGSQUKXOXATJ-GJZGRUSLSA-N 1 3 313.461 2.190 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000825602630 648785993 /nfs/dbraw/zinc/78/59/93/648785993.db2.gz LMSCZEJEEYIZMR-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO [NH3+]Cc1cccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000825675503 648797819 /nfs/dbraw/zinc/79/78/19/648797819.db2.gz ZOMRDOWAXFJCAL-GOSISDBHSA-N 1 3 309.413 2.150 20 0 DEADHO CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C(C)(C)C1 ZINC000940738101 648935636 /nfs/dbraw/zinc/93/56/36/648935636.db2.gz WFYILZFLWROASK-HZPDHXFCSA-N 1 3 309.498 2.486 20 0 DEADHO CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C(C)(C)C1 ZINC000940738101 648935639 /nfs/dbraw/zinc/93/56/39/648935639.db2.gz WFYILZFLWROASK-HZPDHXFCSA-N 1 3 309.498 2.486 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc(Cl)n1 ZINC000832750533 649741454 /nfs/dbraw/zinc/74/14/54/649741454.db2.gz SMFPNHLLDVMFGZ-SGMGOOAPSA-N 1 3 324.856 2.019 20 0 DEADHO C[C@H]1C[C@H]1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000848990367 651572985 /nfs/dbraw/zinc/57/29/85/651572985.db2.gz DSSMTPIBZBAOFR-HOCLYGCPSA-N 1 3 300.450 2.421 20 0 DEADHO C[C@@H](CNC(=O)C[C@H]1NCc2ccccc21)[NH+]1CCCCC1 ZINC000852792721 652458129 /nfs/dbraw/zinc/45/81/29/652458129.db2.gz AHGLMHFGRKQYPX-WMLDXEAASA-N 1 3 301.434 2.212 20 0 DEADHO CC[C@H](F)CNC[C@@H](C)N(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001374306488 1157808189 /nfs/dbraw/zinc/80/81/89/1157808189.db2.gz MJRWOOIGWIMRIX-ZBFHGGJFSA-N 1 3 315.477 2.291 20 0 DEADHO CCCN(C)CC(=O)N1CCC(C)([NH2+]CCC(F)(F)F)CC1 ZINC001393748889 1157947794 /nfs/dbraw/zinc/94/77/94/1157947794.db2.gz SPJBPYWTUKVDJV-UHFFFAOYSA-N 1 3 323.403 2.251 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N(C)CC(C)(C)C[NH2+]CC1CC1 ZINC001394025743 1158172426 /nfs/dbraw/zinc/17/24/26/1158172426.db2.gz NMBCMTFMKDZFPL-GASCZTMLSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](CCNC(=O)[C@H](N)CC1CC1)[N@H+](C)Cc1ccccc1 ZINC000379681201 685392646 /nfs/dbraw/zinc/39/26/46/685392646.db2.gz PQJQKJSDLCYRIS-WMLDXEAASA-N 1 3 303.450 2.141 20 0 DEADHO C[C@@H](CCNC(=O)[C@H](N)CC1CC1)[N@@H+](C)Cc1ccccc1 ZINC000379681201 685392658 /nfs/dbraw/zinc/39/26/58/685392658.db2.gz PQJQKJSDLCYRIS-WMLDXEAASA-N 1 3 303.450 2.141 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000382764634 685405887 /nfs/dbraw/zinc/40/58/87/685405887.db2.gz QVGNLZTTYUPLDZ-CRAIPNDOSA-N 1 3 315.461 2.237 20 0 DEADHO C[C@H]1[C@H](NC(=O)c2cccc(CN3CCCCC3)c2)CC[N@@H+]1C ZINC000928430001 693777461 /nfs/dbraw/zinc/77/74/61/693777461.db2.gz FBIMUFXMZJFBJE-MAUKXSAKSA-N 1 3 315.461 2.495 20 0 DEADHO C[C@H]1[C@H](NC(=O)c2cccc(CN3CCCCC3)c2)CC[N@H+]1C ZINC000928430001 693777465 /nfs/dbraw/zinc/77/74/65/693777465.db2.gz FBIMUFXMZJFBJE-MAUKXSAKSA-N 1 3 315.461 2.495 20 0 DEADHO Cc1ccc([C@H](CNC(=O)C2(N(C)C)CCC2)[NH+](C)C)cc1 ZINC000158809612 684304629 /nfs/dbraw/zinc/30/46/29/684304629.db2.gz JXVFQOOUSHKLDX-INIZCTEOSA-N 1 3 303.450 2.198 20 0 DEADHO CC(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001054145902 693861641 /nfs/dbraw/zinc/86/16/41/693861641.db2.gz ZQWAAQUARIXWSP-HKUYNNGSSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001054145902 693861645 /nfs/dbraw/zinc/86/16/45/693861645.db2.gz ZQWAAQUARIXWSP-HKUYNNGSSA-N 1 3 321.509 2.297 20 0 DEADHO CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001054198494 693878895 /nfs/dbraw/zinc/87/88/95/693878895.db2.gz YHQPYJVGSREETJ-AEFFLSMTSA-N 1 3 307.482 2.053 20 0 DEADHO CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001054198494 693878900 /nfs/dbraw/zinc/87/89/00/693878900.db2.gz YHQPYJVGSREETJ-AEFFLSMTSA-N 1 3 307.482 2.053 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001054198150 693879037 /nfs/dbraw/zinc/87/90/37/693879037.db2.gz QWVQXOGCKIMKOR-IEBWSBKVSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001054198150 693879043 /nfs/dbraw/zinc/87/90/43/693879043.db2.gz QWVQXOGCKIMKOR-IEBWSBKVSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@H]([NH3+])CN(C)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000861567107 686146597 /nfs/dbraw/zinc/14/65/97/686146597.db2.gz AUJGLLBBHDPETB-RDJZCZTQSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1[NH2+]CC1CC1 ZINC001054650291 694014872 /nfs/dbraw/zinc/01/48/72/694014872.db2.gz PXWUFHRMEKWGJU-GOEBONIOSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1[NH2+]CC1CCC1 ZINC001054650568 694014930 /nfs/dbraw/zinc/01/49/30/694014930.db2.gz RQQVZCAFEPRDOR-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO c1cc(CCN2CCC(OCC[NH+]3CCCC3)CC2)sn1 ZINC000929763965 694023728 /nfs/dbraw/zinc/02/37/28/694023728.db2.gz PRWXNOMENYLGEE-UHFFFAOYSA-N 1 3 309.479 2.262 20 0 DEADHO CC(C)(C)c1ccc([C@H](O)C[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000863563992 686523449 /nfs/dbraw/zinc/52/34/49/686523449.db2.gz SCTFFCLOVSEYBI-ZWKOTPCHSA-N 1 3 320.477 2.064 20 0 DEADHO CCCN1CCC[C@H]1CNC(=[NH2+])Nc1ccc(CCO)cc1 ZINC000864468582 686731349 /nfs/dbraw/zinc/73/13/49/686731349.db2.gz LBPADZVZTQJSMP-INIZCTEOSA-N 1 3 304.438 2.032 20 0 DEADHO C[C@@H](NC(=O)Nc1cccc(CN(C)C)c1)C1CC[NH2+]CC1 ZINC000864618391 686780545 /nfs/dbraw/zinc/78/05/45/686780545.db2.gz CRCZJODIQBILLP-CYBMUJFWSA-N 1 3 304.438 2.258 20 0 DEADHO C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1NCCF ZINC001054826067 694054551 /nfs/dbraw/zinc/05/45/51/694054551.db2.gz DTHIIJFYZHCWCB-UKRRQHHQSA-N 1 3 313.461 2.045 20 0 DEADHO C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1NCCF ZINC001054826067 694054556 /nfs/dbraw/zinc/05/45/56/694054556.db2.gz DTHIIJFYZHCWCB-UKRRQHHQSA-N 1 3 313.461 2.045 20 0 DEADHO Cc1c(Cl)cccc1C[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000865451202 687216551 /nfs/dbraw/zinc/21/65/51/687216551.db2.gz VWNAMQDIMKLXML-OAHLLOKOSA-N 1 3 323.868 2.325 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001015794487 687424281 /nfs/dbraw/zinc/42/42/81/687424281.db2.gz HKXONHFDKAALDG-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001015794487 687424284 /nfs/dbraw/zinc/42/42/84/687424284.db2.gz HKXONHFDKAALDG-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]C[C@@H](O)CN1CCCC1 ZINC000866244748 687505814 /nfs/dbraw/zinc/50/58/14/687505814.db2.gz TYQSGJVABNMRBU-MZMPZRCHSA-N 1 3 306.425 2.495 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC23CC[NH+](CC2CCC2)CC3)C1 ZINC001016820591 687709787 /nfs/dbraw/zinc/70/97/87/687709787.db2.gz RWYOYIPXNABEKX-WBVHZDCISA-N 1 3 319.493 2.099 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@@H](C[N@H+](C)CC3CCC3)C2)CCC1 ZINC001017140996 687801759 /nfs/dbraw/zinc/80/17/59/687801759.db2.gz BBUDTVRGXNWCOP-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@@H](C[N@@H+](C)CC3CCC3)C2)CCC1 ZINC001017140996 687801764 /nfs/dbraw/zinc/80/17/64/687801764.db2.gz BBUDTVRGXNWCOP-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)N(C)C ZINC001017638780 687930390 /nfs/dbraw/zinc/93/03/90/687930390.db2.gz IQNQIUMQQGYZJX-NXOAAHMSSA-N 1 3 309.498 2.294 20 0 DEADHO CC[C@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)N(C)C ZINC001017638780 687930392 /nfs/dbraw/zinc/93/03/92/687930392.db2.gz IQNQIUMQQGYZJX-NXOAAHMSSA-N 1 3 309.498 2.294 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868182834 687938374 /nfs/dbraw/zinc/93/83/74/687938374.db2.gz SSCOUIHRRFPLCB-JKSUJKDBSA-N 1 3 304.438 2.305 20 0 DEADHO CCc1ccccc1C[NH2+][C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001019033648 688274345 /nfs/dbraw/zinc/27/43/45/688274345.db2.gz XPQLTFIEWJUQMY-ZWKOTPCHSA-N 1 3 317.477 2.280 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001019337522 688332244 /nfs/dbraw/zinc/33/22/44/688332244.db2.gz NTAPHUNMNZHXJN-DLBZAZTESA-N 1 3 321.440 2.102 20 0 DEADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)cs1 ZINC001019383147 688343400 /nfs/dbraw/zinc/34/34/00/688343400.db2.gz XGPIZBXDFSDCBP-CJNGLKHVSA-N 1 3 321.490 2.089 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000870872804 688673473 /nfs/dbraw/zinc/67/34/73/688673473.db2.gz KSVXAYPOJMFHGS-YRHQEJDOSA-N 1 3 313.445 2.066 20 0 DEADHO CC1CCC(N2CCN(C(=O)[C@H]3CC[C@@H]([NH3+])CC3)CC2)CC1 ZINC000870888982 688679077 /nfs/dbraw/zinc/67/90/77/688679077.db2.gz VBKCSCPYWFCUHZ-HPZPOOBXSA-N 1 3 307.482 2.227 20 0 DEADHO CN(C)C[C@@H](NC(=O)CC[NH2+]CC1CC1)c1ccc(Cl)cc1 ZINC000870925421 688687995 /nfs/dbraw/zinc/68/79/95/688687995.db2.gz MBKIYNBCDVHGTA-MRXNPFEDSA-N 1 3 323.868 2.449 20 0 DEADHO C[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)C1CC[NH2+]CC1 ZINC000870985579 688704268 /nfs/dbraw/zinc/70/42/68/688704268.db2.gz GRGOVWKFIMLQLV-OAHLLOKOSA-N 1 3 315.461 2.400 20 0 DEADHO CN1CCN(CC[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)CC1(C)C ZINC000872068127 688921607 /nfs/dbraw/zinc/92/16/07/688921607.db2.gz DVKIURTZPIKJBC-HOTGVXAUSA-N 1 3 311.514 2.196 20 0 DEADHO CN1CCN(CC[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)CC1(C)C ZINC000872068125 688921892 /nfs/dbraw/zinc/92/18/92/688921892.db2.gz DVKIURTZPIKJBC-CVEARBPZSA-N 1 3 311.514 2.196 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCC1C[NH+](CC2CC(C)(C)C2)C1 ZINC001031666324 688976745 /nfs/dbraw/zinc/97/67/45/688976745.db2.gz MKYYLYMGEXEZPD-QGZVFWFLSA-N 1 3 321.509 2.343 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCC1C[NH+](CC2CCCCC2)C1 ZINC001031715412 688985206 /nfs/dbraw/zinc/98/52/06/688985206.db2.gz UIUQLKSCHWHIAU-SFHVURJKSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC1C[NH+](CC2CCC2)C1 ZINC001032026521 689045177 /nfs/dbraw/zinc/04/51/77/689045177.db2.gz GSRBNRWNULSHBB-KRWDZBQOSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)(C)CNC(=O)C(C)(C)NCc1cc2c(s1)CC[NH2+]C2 ZINC000873207744 689183983 /nfs/dbraw/zinc/18/39/83/689183983.db2.gz ZBNNSLRZSPSWON-UHFFFAOYSA-N 1 3 323.506 2.424 20 0 DEADHO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]Cc1cc2c(s1)CCNC2 ZINC000873212360 689185207 /nfs/dbraw/zinc/18/52/07/689185207.db2.gz ZPZZSCOKXDZFNG-NSHDSACASA-N 1 3 318.490 2.465 20 0 DEADHO Cn1nnc2cc(CN3CC[C@@](C[NH3+])(C(C)(C)C)C3)ccc21 ZINC000873223626 689187387 /nfs/dbraw/zinc/18/73/87/689187387.db2.gz QBYOTPQWHMGEPZ-KRWDZBQOSA-N 1 3 301.438 2.165 20 0 DEADHO N[C@@H](CC[NH2+]C1CCC2(CC1)OCCO2)Cc1ccccc1 ZINC000873235920 689190898 /nfs/dbraw/zinc/19/08/98/689190898.db2.gz UVQCFPZUZJNXNO-INIZCTEOSA-N 1 3 304.434 2.222 20 0 DEADHO Cc1c([C@H](C)NC[C@H]2C[C@@H]([NH3+])C2)nnn1-c1ccc(F)cc1 ZINC000873254330 689195573 /nfs/dbraw/zinc/19/55/73/689195573.db2.gz QRRFTQRCOVTDIL-VHRBIJSZSA-N 1 3 303.385 2.103 20 0 DEADHO C[C@H](N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)C1C[NH2+]C1 ZINC000873274534 689199940 /nfs/dbraw/zinc/19/99/40/689199940.db2.gz DOQOBQSRABQBNW-BGEUTBQWSA-N 1 3 307.235 2.285 20 0 DEADHO C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC1)[NH+]1CCCCCC1 ZINC001032665012 689217639 /nfs/dbraw/zinc/21/76/39/689217639.db2.gz VRXAKCVKQOMFFP-NJAFHUGGSA-N 1 3 319.493 2.336 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2=CCCCC2)C1 ZINC001032781452 689258664 /nfs/dbraw/zinc/25/86/64/689258664.db2.gz WBBLHIBGWLRZBX-BZSNNMDCSA-N 1 3 317.477 2.114 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2=CCCCC2)C1 ZINC001032781452 689258666 /nfs/dbraw/zinc/25/86/66/689258666.db2.gz WBBLHIBGWLRZBX-BZSNNMDCSA-N 1 3 317.477 2.114 20 0 DEADHO CC(C)=CCN1CC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001033179813 689413974 /nfs/dbraw/zinc/41/39/74/689413974.db2.gz ADLPIAPREZJOMN-KRWDZBQOSA-N 1 3 319.493 2.361 20 0 DEADHO CC1CC(C[N@@H+]2CC[C@@H](N(C)C(=O)C(C)(C)c3c[nH]cn3)C2)C1 ZINC001033590846 689553540 /nfs/dbraw/zinc/55/35/40/689553540.db2.gz RDLIROUWNTWZGN-YMAMQOFZSA-N 1 3 318.465 2.266 20 0 DEADHO CC1CC(C[N@H+]2CC[C@@H](N(C)C(=O)C(C)(C)c3c[nH]cn3)C2)C1 ZINC001033590846 689553543 /nfs/dbraw/zinc/55/35/43/689553543.db2.gz RDLIROUWNTWZGN-YMAMQOFZSA-N 1 3 318.465 2.266 20 0 DEADHO CC[C@@H](CO)[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000931094339 694314315 /nfs/dbraw/zinc/31/43/15/694314315.db2.gz MXXVNCDVZLKZKU-FUHWJXTLSA-N 1 3 321.465 2.146 20 0 DEADHO CC[C@@H](CO)[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000931094339 694314317 /nfs/dbraw/zinc/31/43/17/694314317.db2.gz MXXVNCDVZLKZKU-FUHWJXTLSA-N 1 3 321.465 2.146 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCCF)C1 ZINC001034238266 689776702 /nfs/dbraw/zinc/77/67/02/689776702.db2.gz BRVDPQKMRFZLPC-HOTGVXAUSA-N 1 3 313.461 2.191 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCCF)C1 ZINC001034238266 689776707 /nfs/dbraw/zinc/77/67/07/689776707.db2.gz BRVDPQKMRFZLPC-HOTGVXAUSA-N 1 3 313.461 2.191 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CCCF)C1 ZINC001034238267 689776998 /nfs/dbraw/zinc/77/69/98/689776998.db2.gz BRVDPQKMRFZLPC-HZPDHXFCSA-N 1 3 313.461 2.191 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCCF)C1 ZINC001034238267 689777001 /nfs/dbraw/zinc/77/70/01/689777001.db2.gz BRVDPQKMRFZLPC-HZPDHXFCSA-N 1 3 313.461 2.191 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876728559 689918351 /nfs/dbraw/zinc/91/83/51/689918351.db2.gz PGLKMMHAAZIYAH-RCQQVGEISA-N 1 3 317.433 2.251 20 0 DEADHO CC(C)CC[C@H](N)C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000876753685 689926895 /nfs/dbraw/zinc/92/68/95/689926895.db2.gz NCMPVKWXIKPXJK-KRWDZBQOSA-N 1 3 321.465 2.353 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1 ZINC001034734886 689936407 /nfs/dbraw/zinc/93/64/07/689936407.db2.gz BNFGACCZLLXGCF-DJIMGWMZSA-N 1 3 307.482 2.288 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1)C1CC1 ZINC001034959855 689998948 /nfs/dbraw/zinc/99/89/48/689998948.db2.gz GRGZBDMYJLEZNI-MSOLQXFVSA-N 1 3 315.461 2.107 20 0 DEADHO CC(C)(CNC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Oc1ccccc1 ZINC000877022978 689999957 /nfs/dbraw/zinc/99/99/57/689999957.db2.gz ZDQFFIRRJYRFSC-NVXWUHKLSA-N 1 3 304.434 2.297 20 0 DEADHO CC(C)(CNC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)Oc1ccccc1 ZINC000877022978 689999959 /nfs/dbraw/zinc/99/99/59/689999959.db2.gz ZDQFFIRRJYRFSC-NVXWUHKLSA-N 1 3 304.434 2.297 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1F)N(C)C ZINC001034971375 690001005 /nfs/dbraw/zinc/00/10/05/690001005.db2.gz LWBHVYZCRFIGSJ-NVXWUHKLSA-N 1 3 321.440 2.247 20 0 DEADHO C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C)c1ccccc1 ZINC001035013132 690008521 /nfs/dbraw/zinc/00/85/21/690008521.db2.gz DFGBPGUZXZYOHG-KBAYOESNSA-N 1 3 315.461 2.422 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001035050400 690021285 /nfs/dbraw/zinc/02/12/85/690021285.db2.gz ZYSFSYQMSQOWGM-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)Cc2c[nH]cn2)cc1 ZINC001035064958 690024274 /nfs/dbraw/zinc/02/42/74/690024274.db2.gz HUNTZMFZDUBVPF-QGZVFWFLSA-N 1 3 312.417 2.041 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC2(CC[N@H+](CC3CCC3)C2)CC1 ZINC001035231978 690067683 /nfs/dbraw/zinc/06/76/83/690067683.db2.gz UELKKMYGKHRLEY-UHFFFAOYSA-N 1 3 316.449 2.067 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC2(CC[N@@H+](CC3CCC3)C2)CC1 ZINC001035231978 690067686 /nfs/dbraw/zinc/06/76/86/690067686.db2.gz UELKKMYGKHRLEY-UHFFFAOYSA-N 1 3 316.449 2.067 20 0 DEADHO [NH3+]CC1(CC(=O)NC[C@@H]2Cc3ccccc3CN2)CCCCC1 ZINC000877343551 690082520 /nfs/dbraw/zinc/08/25/20/690082520.db2.gz MUSVYPBETNENMU-KRWDZBQOSA-N 1 3 315.461 2.116 20 0 DEADHO N[C@H](C(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1)C1CCC1 ZINC000877445613 690115305 /nfs/dbraw/zinc/11/53/05/690115305.db2.gz RBHOHWMOXJSONL-XYPHTWIQSA-N 1 3 307.482 2.260 20 0 DEADHO CN(C)C1(C(=O)N2CCC3(C[NH+](CC4CCC4)C3)CC2)CCC1 ZINC001035721047 690160992 /nfs/dbraw/zinc/16/09/92/690160992.db2.gz VTXWZKRKDSWBSQ-UHFFFAOYSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC3(C[NH+](CCC4CC4)C3)CC2)C1 ZINC001035795531 690178099 /nfs/dbraw/zinc/17/80/99/690178099.db2.gz VPYDAVWIBJFXDA-INIZCTEOSA-N 1 3 319.493 2.053 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC3(C[NH+](CC4CCC4)C3)CC2)C1 ZINC001035797257 690178706 /nfs/dbraw/zinc/17/87/06/690178706.db2.gz GVJAIOZEPMMUPZ-MRXNPFEDSA-N 1 3 319.493 2.053 20 0 DEADHO COCc1csc(C[NH+]2CCC(N3CCN(C)CC3)CC2)c1 ZINC000877746971 690214109 /nfs/dbraw/zinc/21/41/09/690214109.db2.gz PMJNOSGYKWMNOS-UHFFFAOYSA-N 1 3 323.506 2.106 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CC1CCCC1 ZINC001036063292 690250310 /nfs/dbraw/zinc/25/03/10/690250310.db2.gz JBMGFVCVQOQVPC-CRAIPNDOSA-N 1 3 321.509 2.488 20 0 DEADHO C(CC1CCOCC1)CN1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931286130 694357547 /nfs/dbraw/zinc/35/75/47/694357547.db2.gz CAFDFQJHGRQRML-UHFFFAOYSA-N 1 3 310.482 2.380 20 0 DEADHO C(CC1CCOCC1)CN1CCC([N@H+]2CCCOCC2)CC1 ZINC000931286130 694357550 /nfs/dbraw/zinc/35/75/50/694357550.db2.gz CAFDFQJHGRQRML-UHFFFAOYSA-N 1 3 310.482 2.380 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1[NH2+]CCC1CC1 ZINC001036183243 690283584 /nfs/dbraw/zinc/28/35/84/690283584.db2.gz RHXWCXANPOGQBE-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1[NH2+]CCC1CC1 ZINC001036183241 690283757 /nfs/dbraw/zinc/28/37/57/690283757.db2.gz RHXWCXANPOGQBE-DOTOQJQBSA-N 1 3 321.509 2.345 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)CC2(CO)CCCC2)C[C@H]1C ZINC000878163585 690331563 /nfs/dbraw/zinc/33/15/63/690331563.db2.gz VIQSNGOCLPAUOO-IKGGRYGDSA-N 1 3 312.498 2.095 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)CC2(CO)CCCC2)C[C@H]1C ZINC000878163585 690331566 /nfs/dbraw/zinc/33/15/66/690331566.db2.gz VIQSNGOCLPAUOO-IKGGRYGDSA-N 1 3 312.498 2.095 20 0 DEADHO C[C@@H]([NH2+]CC1CC1)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001036420255 690346380 /nfs/dbraw/zinc/34/63/80/690346380.db2.gz YKPRWUXRMDEJFK-ZBFHGGJFSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](NC[C@H](O)CC1(O)CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000878412248 690400264 /nfs/dbraw/zinc/40/02/64/690400264.db2.gz UFKIYPJGJJWQPX-LZLYRXPVSA-N 1 3 324.509 2.285 20 0 DEADHO C[C@H](NC[C@H](O)CC1(O)CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000878412248 690400265 /nfs/dbraw/zinc/40/02/65/690400265.db2.gz UFKIYPJGJJWQPX-LZLYRXPVSA-N 1 3 324.509 2.285 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@@H]3C[C@H]3C3CC3)CC2)CC1 ZINC000878552184 690440636 /nfs/dbraw/zinc/44/06/36/690440636.db2.gz AAHIHAUDAVPBLU-YJBOKZPZSA-N 1 3 319.493 2.097 20 0 DEADHO C[C@H]1CCCCN1C(=O)CN1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248161 690602720 /nfs/dbraw/zinc/60/27/20/690602720.db2.gz JBNFRFGLRRHIFH-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO O=C(NC[C@H]1CCN1CCC1CCCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001038259434 690760477 /nfs/dbraw/zinc/76/04/77/690760477.db2.gz AJPQGSMMLQNENJ-QZTJIDSGSA-N 1 3 319.493 2.099 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2CCCC2CCCC2)CC[N@@H+]1C ZINC001038265324 690761949 /nfs/dbraw/zinc/76/19/49/690761949.db2.gz ISGUFKCHAIEALE-BPQIPLTHSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2CCCC2CCCC2)CC[N@H+]1C ZINC001038265324 690761950 /nfs/dbraw/zinc/76/19/50/690761950.db2.gz ISGUFKCHAIEALE-BPQIPLTHSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2CCC2CCCCC2)CC[N@@H+]1C ZINC001038267174 690762610 /nfs/dbraw/zinc/76/26/10/690762610.db2.gz YDDSRVGWQDCNCB-KBAYOESNSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2CCC2CCCCC2)CC[N@H+]1C ZINC001038267174 690762613 /nfs/dbraw/zinc/76/26/13/690762613.db2.gz YDDSRVGWQDCNCB-KBAYOESNSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2CCC2CCCCC2)CC[N@@H+]1C ZINC001038267173 690763038 /nfs/dbraw/zinc/76/30/38/690763038.db2.gz YDDSRVGWQDCNCB-BPQIPLTHSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2CCC2CCCCC2)CC[N@H+]1C ZINC001038267173 690763040 /nfs/dbraw/zinc/76/30/40/690763040.db2.gz YDDSRVGWQDCNCB-BPQIPLTHSA-N 1 3 321.509 2.488 20 0 DEADHO CN1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1=CCCCC1 ZINC001038408454 690809243 /nfs/dbraw/zinc/80/92/43/690809243.db2.gz KFNVAPNIZCXFNP-SJORKVTESA-N 1 3 305.466 2.162 20 0 DEADHO CN1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC1=CCCCC1 ZINC001038408454 690809248 /nfs/dbraw/zinc/80/92/48/690809248.db2.gz KFNVAPNIZCXFNP-SJORKVTESA-N 1 3 305.466 2.162 20 0 DEADHO C[NH+]1CCC(C(=O)NC[C@H]2CCN2CCC2=CCCCC2)CC1 ZINC001038664384 690890504 /nfs/dbraw/zinc/89/05/04/690890504.db2.gz UQRNWCFTDHASBW-GOSISDBHSA-N 1 3 319.493 2.409 20 0 DEADHO CC(C)N1CC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038711639 690903101 /nfs/dbraw/zinc/90/31/01/690903101.db2.gz BYFICRQKQIYOHH-QGZVFWFLSA-N 1 3 303.450 2.003 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCN2CCC2=CCCCC2)C1 ZINC001039025627 690996968 /nfs/dbraw/zinc/99/69/68/690996968.db2.gz AXKROWAKNJKIEO-DLBZAZTESA-N 1 3 305.466 2.019 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCN2CCC2=CCCCC2)C1 ZINC001039025627 690996971 /nfs/dbraw/zinc/99/69/71/690996971.db2.gz AXKROWAKNJKIEO-DLBZAZTESA-N 1 3 305.466 2.019 20 0 DEADHO CCCCN1CC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001039041205 691001870 /nfs/dbraw/zinc/00/18/70/691001870.db2.gz ZUWBNZIQKWMJQN-KRWDZBQOSA-N 1 3 303.450 2.352 20 0 DEADHO O=C(CN1CCCC1)N1CCC([C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001039173217 691038789 /nfs/dbraw/zinc/03/87/89/691038789.db2.gz QKLPECDCVHOELE-SFHVURJKSA-N 1 3 319.493 2.053 20 0 DEADHO O=C(CN1CCCC1)N1CCC([C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001039173217 691038791 /nfs/dbraw/zinc/03/87/91/691038791.db2.gz QKLPECDCVHOELE-SFHVURJKSA-N 1 3 319.493 2.053 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@H]2CC[N@H+](CC)C2)CC1 ZINC001039183248 691042546 /nfs/dbraw/zinc/04/25/46/691042546.db2.gz YFLIXQNXGPYAOG-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@H]2CC[N@@H+](CC)C2)CC1 ZINC001039183248 691042547 /nfs/dbraw/zinc/04/25/47/691042547.db2.gz YFLIXQNXGPYAOG-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CC[C@H](C)C1 ZINC001039298491 691077061 /nfs/dbraw/zinc/07/70/61/691077061.db2.gz ZFUFFKVSAJKQLF-XYTVBORESA-N 1 3 307.482 2.240 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001039386750 691094578 /nfs/dbraw/zinc/09/45/78/691094578.db2.gz BSPGSVKVNDVHFL-FGTMMUONSA-N 1 3 319.493 2.479 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001039386750 691094580 /nfs/dbraw/zinc/09/45/80/691094580.db2.gz BSPGSVKVNDVHFL-FGTMMUONSA-N 1 3 319.493 2.479 20 0 DEADHO CC(C)=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001039428351 691104298 /nfs/dbraw/zinc/10/42/98/691104298.db2.gz IOSSPSUCYIFUTR-MSOLQXFVSA-N 1 3 319.493 2.360 20 0 DEADHO CC[N@H+](CC1CC1)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001039490728 691118799 /nfs/dbraw/zinc/11/87/99/691118799.db2.gz WCDBSDDLUUMIQJ-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+](CC1CC1)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001039490728 691118802 /nfs/dbraw/zinc/11/88/02/691118802.db2.gz WCDBSDDLUUMIQJ-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001040241862 691219306 /nfs/dbraw/zinc/21/93/06/691219306.db2.gz UMQJOCQPFMQIKT-SJLPKXTDSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001040241862 691219307 /nfs/dbraw/zinc/21/93/07/691219307.db2.gz UMQJOCQPFMQIKT-SJLPKXTDSA-N 1 3 307.482 2.051 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2)C1CC1 ZINC001040240798 691219573 /nfs/dbraw/zinc/21/95/73/691219573.db2.gz JOSMIKVABXSIAM-HKUYNNGSSA-N 1 3 319.493 2.051 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2)C1CC1 ZINC001040240798 691219575 /nfs/dbraw/zinc/21/95/75/691219575.db2.gz JOSMIKVABXSIAM-HKUYNNGSSA-N 1 3 319.493 2.051 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2)C1CC1 ZINC001040240801 691219616 /nfs/dbraw/zinc/21/96/16/691219616.db2.gz JOSMIKVABXSIAM-MJGOQNOKSA-N 1 3 319.493 2.051 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2)C1CC1 ZINC001040240801 691219618 /nfs/dbraw/zinc/21/96/18/691219618.db2.gz JOSMIKVABXSIAM-MJGOQNOKSA-N 1 3 319.493 2.051 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001040394981 691242339 /nfs/dbraw/zinc/24/23/39/691242339.db2.gz NJZILWADMMBBHD-FUHWJXTLSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001040394981 691242342 /nfs/dbraw/zinc/24/23/42/691242342.db2.gz NJZILWADMMBBHD-FUHWJXTLSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CCC1)C2)N(C)C ZINC001040400347 691243297 /nfs/dbraw/zinc/24/32/97/691243297.db2.gz SOMYBVDCMXIAHN-HKUYNNGSSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCC1)C2)N(C)C ZINC001040400347 691243299 /nfs/dbraw/zinc/24/32/99/691243299.db2.gz SOMYBVDCMXIAHN-HKUYNNGSSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040421917 691245164 /nfs/dbraw/zinc/24/51/64/691245164.db2.gz IAJZHBPWGLERIO-QAPCUYQASA-N 1 3 318.465 2.313 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040421917 691245169 /nfs/dbraw/zinc/24/51/69/691245169.db2.gz IAJZHBPWGLERIO-QAPCUYQASA-N 1 3 318.465 2.313 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CC)C2 ZINC001040545424 691264384 /nfs/dbraw/zinc/26/43/84/691264384.db2.gz PUGPZODBJBEPBF-FUHWJXTLSA-N 1 3 307.482 2.195 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC)C2 ZINC001040545424 691264387 /nfs/dbraw/zinc/26/43/87/691264387.db2.gz PUGPZODBJBEPBF-FUHWJXTLSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)[NH+]1CCC2(CCN(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001040847451 691292464 /nfs/dbraw/zinc/29/24/64/691292464.db2.gz PHPTXCAPTVXKID-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041363452 691368151 /nfs/dbraw/zinc/36/81/51/691368151.db2.gz RQHBADCXTIURQC-GOSISDBHSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)C[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041363452 691368152 /nfs/dbraw/zinc/36/81/52/691368152.db2.gz RQHBADCXTIURQC-GOSISDBHSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@H+](CCC4CC4)C3)C2)C1 ZINC001041681239 691409328 /nfs/dbraw/zinc/40/93/28/691409328.db2.gz ZLLNJCWECZUCIS-VQIMIIECSA-N 1 3 319.493 2.053 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@@H+](CCC4CC4)C3)C2)C1 ZINC001041681239 691409331 /nfs/dbraw/zinc/40/93/31/691409331.db2.gz ZLLNJCWECZUCIS-VQIMIIECSA-N 1 3 319.493 2.053 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001041679794 691409392 /nfs/dbraw/zinc/40/93/92/691409392.db2.gz NZNZQAFNGBYIPQ-PKOBYXMFSA-N 1 3 319.493 2.219 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001041679794 691409395 /nfs/dbraw/zinc/40/93/95/691409395.db2.gz NZNZQAFNGBYIPQ-PKOBYXMFSA-N 1 3 319.493 2.219 20 0 DEADHO CC(C)[NH+]1CCC(NC[C@H]2CCC3(CCOCC3)CO2)CC1 ZINC000883261514 691467079 /nfs/dbraw/zinc/46/70/79/691467079.db2.gz DYCBDPXKIYMMIE-QGZVFWFLSA-N 1 3 310.482 2.425 20 0 DEADHO CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC001042063270 691495332 /nfs/dbraw/zinc/49/53/32/691495332.db2.gz TYHUBKXGTPKPDD-HZPDHXFCSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC001042063270 691495335 /nfs/dbraw/zinc/49/53/35/691495335.db2.gz TYHUBKXGTPKPDD-HZPDHXFCSA-N 1 3 307.482 2.194 20 0 DEADHO NCC12CCC(CC1)C[N@@H+]2C[C@H]1CCC2(CCOCC2)CO1 ZINC000883435500 691509198 /nfs/dbraw/zinc/50/91/98/691509198.db2.gz UWVBWWUJKKLHPC-UPTPFMHGSA-N 1 3 308.466 2.166 20 0 DEADHO NCC12CCC(CC1)C[N@H+]2C[C@H]1CCC2(CCOCC2)CO1 ZINC000883435500 691509203 /nfs/dbraw/zinc/50/92/03/691509203.db2.gz UWVBWWUJKKLHPC-UPTPFMHGSA-N 1 3 308.466 2.166 20 0 DEADHO C([C@@H]1CCC2(CCOCC2)CO1)[N@@H+]1CCNCCC12CCC2 ZINC000883460219 691517029 /nfs/dbraw/zinc/51/70/29/691517029.db2.gz RXCOBWAXYQZHJO-INIZCTEOSA-N 1 3 308.466 2.180 20 0 DEADHO C([C@@H]1CCC2(CCOCC2)CO1)[N@H+]1CCNCCC12CCC2 ZINC000883460219 691517031 /nfs/dbraw/zinc/51/70/31/691517031.db2.gz RXCOBWAXYQZHJO-INIZCTEOSA-N 1 3 308.466 2.180 20 0 DEADHO C[C@H]1C[C@H]([NH2+]Cc2ccccc2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044750438 691881686 /nfs/dbraw/zinc/88/16/86/691881686.db2.gz OIUWUQHVDRIPPT-GOEBONIOSA-N 1 3 312.417 2.122 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CN1CCCC1 ZINC001044857180 691898366 /nfs/dbraw/zinc/89/83/66/691898366.db2.gz FTCZBQQGFLPCMK-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001044958901 691919798 /nfs/dbraw/zinc/91/97/98/691919798.db2.gz WPYDALLGHZOTKR-IRXDYDNUSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccsc1 ZINC001045201203 691951128 /nfs/dbraw/zinc/95/11/28/691951128.db2.gz XHQGMORMCMXDKD-ZBFHGGJFSA-N 1 3 321.490 2.313 20 0 DEADHO C[N@H+](C[C@@H]1CCN(Cc2ccccc2)C1)C[C@](C)(O)C(F)F ZINC000886028846 691987316 /nfs/dbraw/zinc/98/73/16/691987316.db2.gz YTXSONKMEIQWET-RDJZCZTQSA-N 1 3 312.404 2.456 20 0 DEADHO C[N@@H+](C[C@@H]1CCN(Cc2ccccc2)C1)C[C@](C)(O)C(F)F ZINC000886028846 691987321 /nfs/dbraw/zinc/98/73/21/691987321.db2.gz YTXSONKMEIQWET-RDJZCZTQSA-N 1 3 312.404 2.456 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1)N(C)C ZINC001045797084 692028944 /nfs/dbraw/zinc/02/89/44/692028944.db2.gz OQXFJCZSGSYLRV-SQNIBIBYSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1)N(C)C ZINC001045797084 692028947 /nfs/dbraw/zinc/02/89/47/692028947.db2.gz OQXFJCZSGSYLRV-SQNIBIBYSA-N 1 3 321.509 2.438 20 0 DEADHO C[C@@H]1OC[C@]2(CC[C@H](CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)O2)[C@H]1C ZINC000886335694 692060319 /nfs/dbraw/zinc/06/03/19/692060319.db2.gz GNUQPWOLXFFDKN-KHHDSSOXSA-N 1 3 308.466 2.175 20 0 DEADHO C[C@@H]1OC[C@]2(CC[C@H](CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)O2)[C@H]1C ZINC000886335694 692060320 /nfs/dbraw/zinc/06/03/20/692060320.db2.gz GNUQPWOLXFFDKN-KHHDSSOXSA-N 1 3 308.466 2.175 20 0 DEADHO CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045969259 692065151 /nfs/dbraw/zinc/06/51/51/692065151.db2.gz NCFKLCOXNNVTTI-SFHVURJKSA-N 1 3 318.465 2.457 20 0 DEADHO CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045969259 692065152 /nfs/dbraw/zinc/06/51/52/692065152.db2.gz NCFKLCOXNNVTTI-SFHVURJKSA-N 1 3 318.465 2.457 20 0 DEADHO COC(=O)c1cncc([C@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000886501394 692095316 /nfs/dbraw/zinc/09/53/16/692095316.db2.gz ITCCNRMVGJTYAX-STQMWFEESA-N 1 3 303.406 2.003 20 0 DEADHO CC(C)[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1cnn(C)c1 ZINC000886600888 692127993 /nfs/dbraw/zinc/12/79/93/692127993.db2.gz DSSYNYQAGNCACB-DOTOQJQBSA-N 1 3 308.470 2.208 20 0 DEADHO CC(C)[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cnn(C)c1 ZINC000886600888 692127994 /nfs/dbraw/zinc/12/79/94/692127994.db2.gz DSSYNYQAGNCACB-DOTOQJQBSA-N 1 3 308.470 2.208 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC1CC1)C2 ZINC001047190464 692389404 /nfs/dbraw/zinc/38/94/04/692389404.db2.gz PVRVYLNXRMYGMF-XHSDSOJGSA-N 1 3 316.449 2.030 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC1CC1)C2 ZINC001047190464 692389406 /nfs/dbraw/zinc/38/94/06/692389406.db2.gz PVRVYLNXRMYGMF-XHSDSOJGSA-N 1 3 316.449 2.030 20 0 DEADHO C[C@@H]([NH2+]CC1CCCC1)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047866201 692503365 /nfs/dbraw/zinc/50/33/65/692503365.db2.gz ALVAYTOHCGGHNW-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]([NH2+]CC1CCC1)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047865125 692503605 /nfs/dbraw/zinc/50/36/05/692503605.db2.gz QEZYIKQPONTYSK-HOCLYGCPSA-N 1 3 307.482 2.097 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2C1 ZINC001049233674 692795506 /nfs/dbraw/zinc/79/55/06/692795506.db2.gz PBJWLERJKUHPLY-KSZLIROESA-N 1 3 319.493 2.051 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCC3CC3)C[C@@H]2C1 ZINC001049233674 692795509 /nfs/dbraw/zinc/79/55/09/692795509.db2.gz PBJWLERJKUHPLY-KSZLIROESA-N 1 3 319.493 2.051 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CC1)N(C)C ZINC001049535233 692915317 /nfs/dbraw/zinc/91/53/17/692915317.db2.gz ZGWGWJGRWNFNJJ-ZACQAIPSSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CC1)N(C)C ZINC001049535233 692915319 /nfs/dbraw/zinc/91/53/19/692915319.db2.gz ZGWGWJGRWNFNJJ-ZACQAIPSSA-N 1 3 307.482 2.048 20 0 DEADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccccc1Cn1cccn1 ZINC000924590004 693155231 /nfs/dbraw/zinc/15/52/31/693155231.db2.gz NAFHHKSPOQDRHQ-DFNIBXOVSA-N 1 3 310.445 2.361 20 0 DEADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccccc1Cn1cccn1 ZINC000924590004 693155232 /nfs/dbraw/zinc/15/52/32/693155232.db2.gz NAFHHKSPOQDRHQ-DFNIBXOVSA-N 1 3 310.445 2.361 20 0 DEADHO Cc1noc(C)c1[C@@H](C)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000925038497 693216689 /nfs/dbraw/zinc/21/66/89/693216689.db2.gz FJZFYSYQJJZUBA-IUODEOHRSA-N 1 3 306.454 2.111 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CC[NH+](CCC2CC2)CC3)C1 ZINC001050662749 693226711 /nfs/dbraw/zinc/22/67/11/693226711.db2.gz NBMHREVJXBQRDM-INIZCTEOSA-N 1 3 319.493 2.053 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCN3CCCC[C@@H]23)C[C@@H](C)O1 ZINC000925439498 693273065 /nfs/dbraw/zinc/27/30/65/693273065.db2.gz KYNIVCVNIXNVMT-MKXGPGLRSA-N 1 3 323.525 2.482 20 0 DEADHO CC1(C)[C@H]([NH2+]CCc2ccc3c(c2)OCO3)[C@@H]2CCCN[C@@H]21 ZINC000925511632 693286307 /nfs/dbraw/zinc/28/63/07/693286307.db2.gz QNWKYHCIKHAHER-XOKHGSTOSA-N 1 3 302.418 2.324 20 0 DEADHO CC1(C)[C@H](NCCc2ccc3c(c2)OCO3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925511632 693286311 /nfs/dbraw/zinc/28/63/11/693286311.db2.gz QNWKYHCIKHAHER-XOKHGSTOSA-N 1 3 302.418 2.324 20 0 DEADHO O=C1CCCCN1CCC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925549463 693294689 /nfs/dbraw/zinc/29/46/89/693294689.db2.gz LITSKJCHUWSZRP-IAGOWNOFSA-N 1 3 307.482 2.147 20 0 DEADHO CCN1CCN(Cc2ccc(N[C@@H]3CC[NH2+]C3(C)C)cc2)CC1 ZINC000925572678 693300325 /nfs/dbraw/zinc/30/03/25/693300325.db2.gz NANWLEKSCVJHOM-GOSISDBHSA-N 1 3 316.493 2.377 20 0 DEADHO Cc1cc(N2CCC([NH2+][C@H]3[C@@H]4CCCN[C@@H]4C3(C)C)CC2)n[nH]1 ZINC000925646565 693315677 /nfs/dbraw/zinc/31/56/77/693315677.db2.gz ZCGSFYNLRIRZKY-PVAVHDDUSA-N 1 3 317.481 2.053 20 0 DEADHO [NH3+]CCC[C@@H](NCc1nnc(-c2ccncc2)[nH]1)c1ccccc1 ZINC000925693584 693325879 /nfs/dbraw/zinc/32/58/79/693325879.db2.gz SQININLJUQMRDW-MRXNPFEDSA-N 1 3 322.416 2.437 20 0 DEADHO CC(C)(CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C(=O)N1CCCC1 ZINC000925716272 693328458 /nfs/dbraw/zinc/32/84/58/693328458.db2.gz CBGGSLNSKNWRAE-QLFBSQMISA-N 1 3 307.482 2.001 20 0 DEADHO CC(C)(C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C)C(=O)N1CCCC1 ZINC000925716272 693328461 /nfs/dbraw/zinc/32/84/61/693328461.db2.gz CBGGSLNSKNWRAE-QLFBSQMISA-N 1 3 307.482 2.001 20 0 DEADHO Cn1cc(CC[NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)c2cccnc21 ZINC000925728383 693330417 /nfs/dbraw/zinc/33/04/17/693330417.db2.gz UDOGNTCADACPAA-IXDOHACOSA-N 1 3 312.461 2.482 20 0 DEADHO CC[C@H](CN1CCOCC1)N[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000925824491 693348107 /nfs/dbraw/zinc/34/81/07/693348107.db2.gz YPIFFKVHSLKJEY-CEXWTWQISA-N 1 3 317.477 2.180 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H](COC(N)=O)Cc1ccccc1 ZINC000926584101 693474045 /nfs/dbraw/zinc/47/40/45/693474045.db2.gz WNEAQUOQWMOWON-LVYZTWJOSA-N 1 3 317.433 2.037 20 0 DEADHO C[C@H](N[C@H]1CC(=O)N(CC2CC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000926866360 693520633 /nfs/dbraw/zinc/52/06/33/693520633.db2.gz OZPWRCUFQPHVNF-KSSFIOAISA-N 1 3 315.461 2.410 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CCC[N@H+](CCCF)CC1)N1CCCC1 ZINC001052620524 693580993 /nfs/dbraw/zinc/58/09/93/693580993.db2.gz PNUXAGDRKUUJTK-OAHLLOKOSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CCC[N@@H+](CCCF)CC1)N1CCCC1 ZINC001052620524 693580997 /nfs/dbraw/zinc/58/09/97/693580997.db2.gz PNUXAGDRKUUJTK-OAHLLOKOSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)[C@@H](C(=O)NC1CCC(C)([NH+]2CCCC2)CC1)N(C)C ZINC000928011432 693700162 /nfs/dbraw/zinc/70/01/62/693700162.db2.gz RNNKVBJNXACGSE-PQUAAJSLSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H]1C[C@H](NC/C=C/Cl)CN1C(=O)CCCC[NH+](C)C ZINC001332045721 1149812838 /nfs/dbraw/zinc/81/28/38/1149812838.db2.gz FJZCABWXMZOTTG-RNUUNTDPSA-N 1 3 301.862 2.050 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H](C[N@H+](C)C/C=C/Cl)C1)N(C)C ZINC001402397044 1162344039 /nfs/dbraw/zinc/34/40/39/1162344039.db2.gz VUSAAWBMFXBSLQ-LADOHOGBSA-N 1 3 315.889 2.250 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H](C[N@@H+](C)C/C=C/Cl)C1)N(C)C ZINC001402397044 1162344045 /nfs/dbraw/zinc/34/40/45/1162344045.db2.gz VUSAAWBMFXBSLQ-LADOHOGBSA-N 1 3 315.889 2.250 20 0 DEADHO CC(C)[C@@H]1CC(=O)N(CN2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)C1 ZINC001335253901 1150390269 /nfs/dbraw/zinc/39/02/69/1150390269.db2.gz PZEKGVRWQQONPC-VVLHAWIVSA-N 1 3 307.482 2.111 20 0 DEADHO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CC[C@@H](C)N(C)C)c1C ZINC001335422416 1150412094 /nfs/dbraw/zinc/41/20/94/1150412094.db2.gz QVJBAWUHAWDAHQ-WBVHZDCISA-N 1 3 308.466 2.281 20 0 DEADHO CC[C@@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001413972026 1152085807 /nfs/dbraw/zinc/08/58/07/1152085807.db2.gz BRFSVBIDIIAEFV-MRXNPFEDSA-N 1 3 307.413 2.077 20 0 DEADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@@H]1CCC[N@H+](CCCF)C1 ZINC001402767809 1162465398 /nfs/dbraw/zinc/46/53/98/1162465398.db2.gz RFHGEJQZIJAZJL-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@@H]1CCC[N@@H+](CCCF)C1 ZINC001402767809 1162465401 /nfs/dbraw/zinc/46/54/01/1162465401.db2.gz RFHGEJQZIJAZJL-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CCC(C)(C)C ZINC001402777291 1162468409 /nfs/dbraw/zinc/46/84/09/1162468409.db2.gz XTWORJSEUZBQNU-LSDHHAIUSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1ccc(F)c(CN[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)c1 ZINC001402801578 1162476228 /nfs/dbraw/zinc/47/62/28/1162476228.db2.gz ZEBALIFRQSQDTN-YOEHRIQHSA-N 1 3 321.440 2.022 20 0 DEADHO CC(C)[C@H](C(=O)NC1CCC([NH2+]CCC2CC2)CC1)N(C)C ZINC001402825819 1162485809 /nfs/dbraw/zinc/48/58/09/1162485809.db2.gz IFSNOFDPWKMVNT-OFLPRAFFSA-N 1 3 309.498 2.390 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H](C[NH2+]Cc2ccsc2)C2CC2)C1 ZINC001379896343 1152710305 /nfs/dbraw/zinc/71/03/05/1152710305.db2.gz KWINFCHGOQQDPO-XJKSGUPXSA-N 1 3 321.490 2.074 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001379911787 1152712274 /nfs/dbraw/zinc/71/22/74/1152712274.db2.gz CUPUXEPUDIZBAO-KRWDZBQOSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@@H](F)CNC1(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001380152437 1152757927 /nfs/dbraw/zinc/75/79/27/1152757927.db2.gz MNDVEQHKSJCPIT-HUUCEWRRSA-N 1 3 313.461 2.237 20 0 DEADHO CN(C)CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1CCCC1 ZINC001361927930 1152778042 /nfs/dbraw/zinc/77/80/42/1152778042.db2.gz JUHSRQGKFBJEEF-RDJZCZTQSA-N 1 3 309.498 2.440 20 0 DEADHO CC[N@H+](CCF)CC1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC001402881439 1162514034 /nfs/dbraw/zinc/51/40/34/1162514034.db2.gz BHMHYEOJQAGTJT-INIZCTEOSA-N 1 3 313.461 2.001 20 0 DEADHO CC[N@@H+](CCF)CC1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC001402881439 1162514038 /nfs/dbraw/zinc/51/40/38/1162514038.db2.gz BHMHYEOJQAGTJT-INIZCTEOSA-N 1 3 313.461 2.001 20 0 DEADHO CCCN1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC001362719792 1153057238 /nfs/dbraw/zinc/05/72/38/1153057238.db2.gz NOAOIHQWDGFQQN-OAGGEKHMSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]CC1CCC1)N(C)C ZINC001381467785 1153071526 /nfs/dbraw/zinc/07/15/26/1153071526.db2.gz DVLDMTVFEZSRGQ-INIZCTEOSA-N 1 3 311.514 2.447 20 0 DEADHO CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C(C)C)N(C)C ZINC001402897772 1162524261 /nfs/dbraw/zinc/52/42/61/1162524261.db2.gz LMRZTCVYOPFHMI-KZNAEPCWSA-N 1 3 317.477 2.354 20 0 DEADHO C[C@@H](NC(=O)CN1CC[C@H](C)C1)C1C[NH+](CC2CCCCC2)C1 ZINC001381818128 1153236992 /nfs/dbraw/zinc/23/69/92/1153236992.db2.gz DRSYJJYMZBJUQH-JKSUJKDBSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CCCCC3)C[C@H]21)N(C)C ZINC001381896947 1153267405 /nfs/dbraw/zinc/26/74/05/1153267405.db2.gz SMGYEGKKEHLTQM-ZJPYXAASSA-N 1 3 321.509 2.201 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CCCCC3)C[C@H]21)N(C)C ZINC001381896947 1153267411 /nfs/dbraw/zinc/26/74/11/1153267411.db2.gz SMGYEGKKEHLTQM-ZJPYXAASSA-N 1 3 321.509 2.201 20 0 DEADHO CC(C)N(C)CC(=O)N(C)[C@H](C[NH2+]CC1CC(C)C1)C1CC1 ZINC001382039863 1153327883 /nfs/dbraw/zinc/32/78/83/1153327883.db2.gz NNKTVTOMELXQSQ-VMBOVVBDSA-N 1 3 309.498 2.199 20 0 DEADHO CNC(=O)c1ccc(C[NH2+]CC2(CN(C)C)CCCC2)cc1 ZINC001363412846 1153386496 /nfs/dbraw/zinc/38/64/96/1153386496.db2.gz RPHODPFFVGBGBO-UHFFFAOYSA-N 1 3 303.450 2.258 20 0 DEADHO CNc1ccccc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC001363435499 1153400506 /nfs/dbraw/zinc/40/05/06/1153400506.db2.gz YTWRSBUSJGHFPN-QFBILLFUSA-N 1 3 316.493 2.186 20 0 DEADHO CNc1ccccc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC001363435503 1153402126 /nfs/dbraw/zinc/40/21/26/1153402126.db2.gz YTWRSBUSJGHFPN-VQIMIIECSA-N 1 3 316.493 2.186 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@H](CNCc1ccccn1)C(C)(C)C ZINC001382515398 1153460496 /nfs/dbraw/zinc/46/04/96/1153460496.db2.gz AXHDAFNFKCGYLK-MRXNPFEDSA-N 1 3 320.481 2.044 20 0 DEADHO C[NH+]1CCC(N2CC[C@H](NCc3cc(F)ccc3F)C2)CC1 ZINC001363861543 1153676716 /nfs/dbraw/zinc/67/67/16/1153676716.db2.gz FDJIEHWPBDOMLP-HNNXBMFYSA-N 1 3 309.404 2.223 20 0 DEADHO CN(C)CCC[N@H+](C)C[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001363908605 1153713241 /nfs/dbraw/zinc/71/32/41/1153713241.db2.gz WDGHXSKMISIBQK-LBPRGKRZSA-N 1 3 323.428 2.418 20 0 DEADHO CN(C)CCC[N@@H+](C)C[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001363908605 1153713247 /nfs/dbraw/zinc/71/32/47/1153713247.db2.gz WDGHXSKMISIBQK-LBPRGKRZSA-N 1 3 323.428 2.418 20 0 DEADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)C[C@H]1C ZINC001363928569 1153726602 /nfs/dbraw/zinc/72/66/02/1153726602.db2.gz FEWMDYWIKBQPKB-XJTKPRQNSA-N 1 3 308.466 2.284 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001403015842 1162627828 /nfs/dbraw/zinc/62/78/28/1162627828.db2.gz PDNNUIVFHKXKNG-CVEARBPZSA-N 1 3 305.466 2.320 20 0 DEADHO CCc1ccccc1C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001403056157 1162674349 /nfs/dbraw/zinc/67/43/49/1162674349.db2.gz WHIPQODRDSTLIY-MAUKXSAKSA-N 1 3 319.493 2.430 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(C)c(C)c1)N(C)C ZINC001403081913 1162695839 /nfs/dbraw/zinc/69/58/39/1162695839.db2.gz JOXDIGCPFUHAAH-RDJZCZTQSA-N 1 3 305.466 2.238 20 0 DEADHO CCCN(C(=O)Cc1c[nH]cn1)C1CC[NH+](CCC2CC2)CC1 ZINC001389540426 1155365411 /nfs/dbraw/zinc/36/54/11/1155365411.db2.gz RAZLWEFIHJYSEJ-UHFFFAOYSA-N 1 3 318.465 2.455 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1)N(C)C ZINC001389898219 1155465931 /nfs/dbraw/zinc/46/59/31/1155465931.db2.gz JUIJNEDJVSDSFT-OSMBCOQSSA-N 1 3 321.440 2.464 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@H+](CC3CCC3)CC[C@@H]21 ZINC001389965367 1155484947 /nfs/dbraw/zinc/48/49/47/1155484947.db2.gz WEZSDKARRBOLSA-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@@H+](CC3CCC3)CC[C@@H]21 ZINC001389965367 1155484950 /nfs/dbraw/zinc/48/49/50/1155484950.db2.gz WEZSDKARRBOLSA-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2)C1)N(C)C ZINC001390008764 1155497874 /nfs/dbraw/zinc/49/78/74/1155497874.db2.gz KFOKRFGAGPCVOC-BBWFWOEESA-N 1 3 303.450 2.072 20 0 DEADHO CC(C)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC001371041448 1155666892 /nfs/dbraw/zinc/66/68/92/1155666892.db2.gz IMUAGAHURVTZAT-BDJZZAGISA-N 1 3 321.509 2.342 20 0 DEADHO CC(C)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC001371041448 1155666896 /nfs/dbraw/zinc/66/68/96/1155666896.db2.gz IMUAGAHURVTZAT-BDJZZAGISA-N 1 3 321.509 2.342 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C1CC1)N(C)C ZINC001390475436 1155746191 /nfs/dbraw/zinc/74/61/91/1155746191.db2.gz FSKRUQLZVTZWRS-KDOFPFPSSA-N 1 3 317.477 2.499 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001390512038 1155777535 /nfs/dbraw/zinc/77/75/35/1155777535.db2.gz VVNZZIOQMVIXOZ-MRXNPFEDSA-N 1 3 305.466 2.240 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCC3CC3)C2)CCC1 ZINC001390625914 1155818177 /nfs/dbraw/zinc/81/81/77/1155818177.db2.gz XVFUBXBNXPCOOJ-JKSUJKDBSA-N 1 3 307.482 2.288 20 0 DEADHO CN(CCNC(=O)C1(C[NH+](C)C)CC1)Cc1ccc(CF)cc1 ZINC001390813487 1155880161 /nfs/dbraw/zinc/88/01/61/1155880161.db2.gz TZFNYNZTMLNMBD-UHFFFAOYSA-N 1 3 321.440 2.046 20 0 DEADHO CC(C)CC[N@H+](C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001390821629 1155883188 /nfs/dbraw/zinc/88/31/88/1155883188.db2.gz YBGZVJGXGYLKFA-QGZVFWFLSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)CC[N@@H+](C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001390821629 1155883189 /nfs/dbraw/zinc/88/31/89/1155883189.db2.gz YBGZVJGXGYLKFA-QGZVFWFLSA-N 1 3 315.477 2.293 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2C)C1 ZINC001371630251 1155888547 /nfs/dbraw/zinc/88/85/47/1155888547.db2.gz ZTEMXJCRRYIXPX-KRWDZBQOSA-N 1 3 317.477 2.275 20 0 DEADHO CC[N@H+](C)CCC(=O)NCCN(C)[C@H]1CCc2c1cccc2F ZINC001390845523 1155890008 /nfs/dbraw/zinc/89/00/08/1155890008.db2.gz SAWJGTOQNRHROS-KRWDZBQOSA-N 1 3 321.440 2.203 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCCN(C)[C@H]1CCc2c1cccc2F ZINC001390845523 1155890009 /nfs/dbraw/zinc/89/00/09/1155890009.db2.gz SAWJGTOQNRHROS-KRWDZBQOSA-N 1 3 321.440 2.203 20 0 DEADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1cccc(F)c1 ZINC001390905340 1155944046 /nfs/dbraw/zinc/94/40/46/1155944046.db2.gz NUTICUBTXIJZCE-RHSMWYFYSA-N 1 3 321.440 2.104 20 0 DEADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1cccc(F)c1 ZINC001390905340 1155944063 /nfs/dbraw/zinc/94/40/63/1155944063.db2.gz NUTICUBTXIJZCE-RHSMWYFYSA-N 1 3 321.440 2.104 20 0 DEADHO Cc1cccc(CN(C)CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001371965270 1156088804 /nfs/dbraw/zinc/08/88/04/1156088804.db2.gz SXTHLSJOGCAQDY-GOSISDBHSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1cccc(CN(C)CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001371965270 1156088810 /nfs/dbraw/zinc/08/88/10/1156088810.db2.gz SXTHLSJOGCAQDY-GOSISDBHSA-N 1 3 317.477 2.416 20 0 DEADHO CCCN(C)CC(=O)NCC[N@H+](C)Cc1ccc2c(c1)CCC2 ZINC001372191043 1156303183 /nfs/dbraw/zinc/30/31/83/1156303183.db2.gz JHUUGQHWZGXRCR-UHFFFAOYSA-N 1 3 317.477 2.065 20 0 DEADHO CCCN(C)CC(=O)NCC[N@@H+](C)Cc1ccc2c(c1)CCC2 ZINC001372191043 1156303189 /nfs/dbraw/zinc/30/31/89/1156303189.db2.gz JHUUGQHWZGXRCR-UHFFFAOYSA-N 1 3 317.477 2.065 20 0 DEADHO CN(CC(=O)NCC[C@@H]1CC[N@H+](C/C=C\Cl)C1)C1CCC1 ZINC001391309086 1156327358 /nfs/dbraw/zinc/32/73/58/1156327358.db2.gz IYBMDSFMXHGHNE-LEPFTWFBSA-N 1 3 313.873 2.051 20 0 DEADHO CN(CC(=O)NCC[C@@H]1CC[N@@H+](C/C=C\Cl)C1)C1CCC1 ZINC001391309086 1156327363 /nfs/dbraw/zinc/32/73/63/1156327363.db2.gz IYBMDSFMXHGHNE-LEPFTWFBSA-N 1 3 313.873 2.051 20 0 DEADHO CC[N@H+](CCNC(=O)C1(N(C)C)CCC1)Cc1cccc(C)c1 ZINC001372360574 1156375278 /nfs/dbraw/zinc/37/52/78/1156375278.db2.gz LLWLGHNVPLHFNX-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO CC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)Cc1cccc(C)c1 ZINC001372360574 1156375286 /nfs/dbraw/zinc/37/52/86/1156375286.db2.gz LLWLGHNVPLHFNX-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccccc1F ZINC001391720261 1156736074 /nfs/dbraw/zinc/73/60/74/1156736074.db2.gz MNFFIAVSNYSQOU-HOCLYGCPSA-N 1 3 321.440 2.152 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@H](C)c1cccc(F)c1)N(C)C ZINC001372953119 1156827581 /nfs/dbraw/zinc/82/75/81/1156827581.db2.gz YNSGEVSFQSOANT-CJNGLKHVSA-N 1 3 309.429 2.275 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)CC[N@H+](C)CC2CC3(CCC3)C2)C1 ZINC001392311898 1157010421 /nfs/dbraw/zinc/01/04/21/1157010421.db2.gz JMVUYQLECFEFSA-INIZCTEOSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)CC[N@@H+](C)CC2CC3(CCC3)C2)C1 ZINC001392311898 1157010428 /nfs/dbraw/zinc/01/04/28/1157010428.db2.gz JMVUYQLECFEFSA-INIZCTEOSA-N 1 3 321.509 2.299 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001392610460 1157207803 /nfs/dbraw/zinc/20/78/03/1157207803.db2.gz OKJNASDSCNFXQN-HNNXBMFYSA-N 1 3 317.477 2.111 20 0 DEADHO C[C@@H](NC(=O)CC[NH+](C)C)C1CN(CCCc2ccsc2)C1 ZINC001403323630 1162850943 /nfs/dbraw/zinc/85/09/43/1162850943.db2.gz LXODQPXPNIKYID-CQSZACIVSA-N 1 3 323.506 2.069 20 0 DEADHO CC(C)C[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1CCCC1 ZINC001393081461 1157662469 /nfs/dbraw/zinc/66/24/69/1157662469.db2.gz GSKCWAYKWFWARF-IAGOWNOFSA-N 1 3 311.514 2.493 20 0 DEADHO CC(C)[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC1CCC1 ZINC001403477607 1162895054 /nfs/dbraw/zinc/89/50/54/1162895054.db2.gz MFPIXBAJBZKFNQ-NVXWUHKLSA-N 1 3 309.498 2.249 20 0 DEADHO C[C@@H]([NH2+]CCC1CC1)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001374392756 1157836609 /nfs/dbraw/zinc/83/66/09/1157836609.db2.gz HQIJCPVCVSHJFX-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO CCN(CCN[C@@H](C)c1ccccc1F)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001374720890 1157978837 /nfs/dbraw/zinc/97/88/37/1157978837.db2.gz AACSXVXKEBHUPS-GJZGRUSLSA-N 1 3 321.440 2.277 20 0 DEADHO CCN(CCN[C@@H](C)c1ccccc1F)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374720890 1157978854 /nfs/dbraw/zinc/97/88/54/1157978854.db2.gz AACSXVXKEBHUPS-GJZGRUSLSA-N 1 3 321.440 2.277 20 0 DEADHO CCN(CCN[C@@H](C)c1ccccc1F)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374720893 1157979291 /nfs/dbraw/zinc/97/92/91/1157979291.db2.gz AACSXVXKEBHUPS-LSDHHAIUSA-N 1 3 321.440 2.277 20 0 DEADHO CCN(CCN[C@@H](C)c1ccccc1F)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001374720893 1157979301 /nfs/dbraw/zinc/97/93/01/1157979301.db2.gz AACSXVXKEBHUPS-LSDHHAIUSA-N 1 3 321.440 2.277 20 0 DEADHO CC[C@H](C(=O)N(C)[C@H](C[NH2+]Cc1ccccc1)C1CC1)N(C)C ZINC001403510977 1162919913 /nfs/dbraw/zinc/91/99/13/1162919913.db2.gz QXVDESUKXCVBGP-QZTJIDSGSA-N 1 3 317.477 2.353 20 0 DEADHO C[C@@H](CNCc1ccccc1Cl)NC(=O)C1(C[NH+](C)C)CC1 ZINC001374928770 1158096840 /nfs/dbraw/zinc/09/68/40/1158096840.db2.gz ZCLBUBXIUVKQBB-ZDUSSCGKSA-N 1 3 323.868 2.276 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)CC(C)(C)C[NH2+]CC1CC1 ZINC001394024048 1158172119 /nfs/dbraw/zinc/17/21/19/1158172119.db2.gz BQEOUGTXHRRPFS-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](CN(C)C/C=C\c1ccccc1)NC(=O)CC[NH+](C)C ZINC001375098238 1158312999 /nfs/dbraw/zinc/31/29/99/1158312999.db2.gz IPNRPRQPIHZOJK-JXMNSVBMSA-N 1 3 303.450 2.088 20 0 DEADHO CC(C)[NH2+]C[C@@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001375255958 1158412101 /nfs/dbraw/zinc/41/21/01/1158412101.db2.gz DKVFQIXIOLJYLN-RHSMWYFYSA-N 1 3 313.461 2.092 20 0 DEADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CC1CC(C)(C)C1 ZINC001394499119 1158591940 /nfs/dbraw/zinc/59/19/40/1158591940.db2.gz RPWZEYHDOPMHQN-CQSZACIVSA-N 1 3 309.498 2.343 20 0 DEADHO CCc1ccccc1CN1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001375480803 1158743094 /nfs/dbraw/zinc/74/30/94/1158743094.db2.gz XBVXMZFGSFKIFE-GOSISDBHSA-N 1 3 317.477 2.233 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001375511165 1158787762 /nfs/dbraw/zinc/78/77/62/1158787762.db2.gz LIBXWFKGRALYCH-DZVNLGKHSA-N 1 3 321.509 2.247 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001375519551 1158800527 /nfs/dbraw/zinc/80/05/27/1158800527.db2.gz RGDWNOXRWXYGAQ-SFFUCWETSA-N 1 3 321.509 2.249 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CCC1)C2 ZINC001375616086 1158830143 /nfs/dbraw/zinc/83/01/43/1158830143.db2.gz CFTRJEOHTFLSGM-IBGZPJMESA-N 1 3 321.509 2.443 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC001375616086 1158830144 /nfs/dbraw/zinc/83/01/44/1158830144.db2.gz CFTRJEOHTFLSGM-IBGZPJMESA-N 1 3 321.509 2.443 20 0 DEADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](CC3CC3)CC[C@@H]2C1)CC(C)(C)C ZINC001375635525 1158834615 /nfs/dbraw/zinc/83/46/15/1158834615.db2.gz YXULNVAAUUZPHD-SJORKVTESA-N 1 3 321.509 2.155 20 0 DEADHO CN(CC(=O)N1C[C@@H]2C[N@H+](CC3CC3)CC[C@@H]2C1)CC(C)(C)C ZINC001375635525 1158834617 /nfs/dbraw/zinc/83/46/17/1158834617.db2.gz YXULNVAAUUZPHD-SJORKVTESA-N 1 3 321.509 2.155 20 0 DEADHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1C)N(C)C ZINC001403577627 1163015806 /nfs/dbraw/zinc/01/58/06/1163015806.db2.gz VYELOTIYWKMPKR-NVXWUHKLSA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](C)[C@H](C)c1cccc(OC)c1)N(C)C ZINC001403587354 1163025324 /nfs/dbraw/zinc/02/53/24/1163025324.db2.gz LAKFTMBMDGJXQL-RHSMWYFYSA-N 1 3 321.465 2.144 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](C)[C@H](C)c1cccc(OC)c1)N(C)C ZINC001403587354 1163025332 /nfs/dbraw/zinc/02/53/32/1163025332.db2.gz LAKFTMBMDGJXQL-RHSMWYFYSA-N 1 3 321.465 2.144 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001376509345 1159486534 /nfs/dbraw/zinc/48/65/34/1159486534.db2.gz GAHLDGMOSDJQHA-IYBDPMFKSA-N 1 3 323.868 2.417 20 0 DEADHO C[C@@H](CN(C)C(=O)CCC[NH+]1CCCCC1)NC/C=C\Cl ZINC001403617960 1163053162 /nfs/dbraw/zinc/05/31/62/1163053162.db2.gz BZPCLMLCULQRKA-VIHMKRCTSA-N 1 3 315.889 2.442 20 0 DEADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cc(F)ccc1C ZINC001403634742 1163064948 /nfs/dbraw/zinc/06/49/48/1163064948.db2.gz MYVOZPSWNDSBFA-HNNXBMFYSA-N 1 3 323.456 2.412 20 0 DEADHO CC(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001376917549 1159845221 /nfs/dbraw/zinc/84/52/21/1159845221.db2.gz GKHDPLYULCFHML-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001376981900 1159863284 /nfs/dbraw/zinc/86/32/84/1159863284.db2.gz LRZKLDVRJGGUOQ-QWHCGFSZSA-N 1 3 323.403 2.298 20 0 DEADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001377100037 1159899357 /nfs/dbraw/zinc/89/93/57/1159899357.db2.gz MBNMTFVKRQCVTG-GOEBONIOSA-N 1 3 309.498 2.391 20 0 DEADHO CN(CC(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CC2)C1)CC(C)(C)C ZINC001397079461 1159950610 /nfs/dbraw/zinc/95/06/10/1159950610.db2.gz MALOXMYOBRGOFU-IYBDPMFKSA-N 1 3 309.498 2.249 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001397136824 1160013194 /nfs/dbraw/zinc/01/31/94/1160013194.db2.gz RLEDSLZFAUXAKA-DJIMGWMZSA-N 1 3 323.525 2.493 20 0 DEADHO Cc1ccccc1CN(C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001377186485 1160020483 /nfs/dbraw/zinc/02/04/83/1160020483.db2.gz DUXPQAJFPOWZDW-UHFFFAOYSA-N 1 3 315.461 2.171 20 0 DEADHO CCCN(C)CC(=O)N1CCCCC[C@H]([NH2+]CC2CCC2)C1 ZINC001397231782 1160069410 /nfs/dbraw/zinc/06/94/10/1160069410.db2.gz KMBKZLWMCYHQTM-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO C[NH+](C)CCC(=O)N[C@@H]1CCN(C/C=C/Cl)CC(C)(C)C1 ZINC001397275140 1160100107 /nfs/dbraw/zinc/10/01/07/1160100107.db2.gz VFKOEOVXCWVFOV-LHRNQBEKSA-N 1 3 315.889 2.297 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](C)Cc1ccccc1C1CC1)N(C)C ZINC001377297535 1160162960 /nfs/dbraw/zinc/16/29/60/1160162960.db2.gz IVPQJFHEZSVFNQ-GOSISDBHSA-N 1 3 317.477 2.452 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](C)Cc1ccccc1C1CC1)N(C)C ZINC001377297535 1160162984 /nfs/dbraw/zinc/16/29/84/1160162984.db2.gz IVPQJFHEZSVFNQ-GOSISDBHSA-N 1 3 317.477 2.452 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC(C)C2)C1 ZINC001397725579 1160423464 /nfs/dbraw/zinc/42/34/64/1160423464.db2.gz CIEWGWFPRYNRBQ-ODZFXCKXSA-N 1 3 309.498 2.247 20 0 DEADHO C[C@@H]1C[C@H](NCc2ccccc2F)CN1C(=O)CCC[NH+](C)C ZINC001403738851 1163125532 /nfs/dbraw/zinc/12/55/32/1163125532.db2.gz JDPQUIOEEVORIY-ZBFHGGJFSA-N 1 3 321.440 2.247 20 0 DEADHO C[C@H]1C[C@H](NCc2ccccc2F)CN1C(=O)CCC[NH+](C)C ZINC001403738850 1163126303 /nfs/dbraw/zinc/12/63/03/1163126303.db2.gz JDPQUIOEEVORIY-HOCLYGCPSA-N 1 3 321.440 2.247 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CCC1CC1 ZINC001398204223 1160817958 /nfs/dbraw/zinc/81/79/58/1160817958.db2.gz KLZNDQIRQNSFCK-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO Cc1cccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001377827603 1160840754 /nfs/dbraw/zinc/84/07/54/1160840754.db2.gz PKNLWCMQQQYDLB-JKSUJKDBSA-N 1 3 317.477 2.462 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1CCC1)C1CC1 ZINC001398405307 1160879087 /nfs/dbraw/zinc/87/90/87/1160879087.db2.gz JVGBUIKAVIXYJP-DLBZAZTESA-N 1 3 307.482 2.144 20 0 DEADHO C[N@H+](C/C=C\Cl)C[C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001398468458 1160900422 /nfs/dbraw/zinc/90/04/22/1160900422.db2.gz VIRYYDNNZSUGEC-ZQMJAJRESA-N 1 3 313.873 2.005 20 0 DEADHO C[N@@H+](C/C=C\Cl)C[C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001398468458 1160900434 /nfs/dbraw/zinc/90/04/34/1160900434.db2.gz VIRYYDNNZSUGEC-ZQMJAJRESA-N 1 3 313.873 2.005 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC001398527190 1160947743 /nfs/dbraw/zinc/94/77/43/1160947743.db2.gz KLEWOGRZKSKTLT-FUHWJXTLSA-N 1 3 315.461 2.206 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCC2CC2)C1)N1CCCCC1 ZINC001378090018 1161009898 /nfs/dbraw/zinc/00/98/98/1161009898.db2.gz SMHRGSGLFZMTHN-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CCC2CC2)C1)N1CCCCC1 ZINC001378090018 1161009908 /nfs/dbraw/zinc/00/99/08/1161009908.db2.gz SMHRGSGLFZMTHN-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1ccc(CC[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001398950638 1161164481 /nfs/dbraw/zinc/16/44/81/1161164481.db2.gz PVBZVNZAUPYZSF-WMZOPIPTSA-N 1 3 319.493 2.218 20 0 DEADHO CC[N@H+](C)CCC(=O)NCCN(C)[C@H]1CCc2ccc(F)cc21 ZINC001399632660 1161489119 /nfs/dbraw/zinc/48/91/19/1161489119.db2.gz IZBMLSLZJYTXAJ-KRWDZBQOSA-N 1 3 321.440 2.203 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCCN(C)[C@H]1CCc2ccc(F)cc21 ZINC001399632660 1161489120 /nfs/dbraw/zinc/48/91/20/1161489120.db2.gz IZBMLSLZJYTXAJ-KRWDZBQOSA-N 1 3 321.440 2.203 20 0 DEADHO CCN(CCNC(=O)CC[NH+](C)C)Cc1ccc(F)cc1C ZINC001399758284 1161555177 /nfs/dbraw/zinc/55/51/77/1161555177.db2.gz QUWVZFPVOCFEJI-UHFFFAOYSA-N 1 3 309.429 2.024 20 0 DEADHO CCC(CC)C[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001400248926 1161699622 /nfs/dbraw/zinc/69/96/22/1161699622.db2.gz DFWUYWAZAXMEIC-OAHLLOKOSA-N 1 3 306.454 2.169 20 0 DEADHO CCC(CC)C[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001400248926 1161699623 /nfs/dbraw/zinc/69/96/23/1161699623.db2.gz DFWUYWAZAXMEIC-OAHLLOKOSA-N 1 3 306.454 2.169 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1C[NH+](CCC(C)(C)C)C1 ZINC001400573331 1161774261 /nfs/dbraw/zinc/77/42/61/1161774261.db2.gz MAWLZXFZPMZAAM-GJZGRUSLSA-N 1 3 309.498 2.343 20 0 DEADHO C[NH+](C)CCC(=O)NCC1(NCC=C(Cl)Cl)CCCC1 ZINC001401185301 1161889280 /nfs/dbraw/zinc/88/92/80/1161889280.db2.gz XLEZAJAOZGENAK-UHFFFAOYSA-N 1 3 322.280 2.276 20 0 DEADHO CC(C)CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001401194210 1161891012 /nfs/dbraw/zinc/89/10/12/1161891012.db2.gz XUZHPHDPDPWVKD-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCN2CCCC2CCCC2)C1 ZINC001401930650 1162185682 /nfs/dbraw/zinc/18/56/82/1162185682.db2.gz QYUVDUSAQIKWCD-ROUUACIJSA-N 1 3 321.509 2.489 20 0 DEADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCN2CCCC2CCCC2)C1 ZINC001401930650 1162185684 /nfs/dbraw/zinc/18/56/84/1162185684.db2.gz QYUVDUSAQIKWCD-ROUUACIJSA-N 1 3 321.509 2.489 20 0 DEADHO CC1CC(C[NH2+]C2(CNC(=O)CN(C)CC(C)(C)C)CC2)C1 ZINC001401965440 1162200193 /nfs/dbraw/zinc/20/01/93/1162200193.db2.gz NZQCUTYKZPJNIN-UHFFFAOYSA-N 1 3 309.498 2.249 20 0 DEADHO CC[C@H](F)CN1CC[C@@]2(CCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001402015577 1162217414 /nfs/dbraw/zinc/21/74/14/1162217414.db2.gz RNGFLEBUNSMFDS-DOTOQJQBSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@H](F)CN1CC[C@@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001402015577 1162217417 /nfs/dbraw/zinc/21/74/17/1162217417.db2.gz RNGFLEBUNSMFDS-DOTOQJQBSA-N 1 3 313.461 2.001 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]Cc2ccccc2F)C1 ZINC001404012496 1163374344 /nfs/dbraw/zinc/37/43/44/1163374344.db2.gz CFHJROMYQVKDHV-UHFFFAOYSA-N 1 3 321.440 2.245 20 0 DEADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCN(Cc3ccsc3)C2)C1 ZINC001404097835 1163443933 /nfs/dbraw/zinc/44/39/33/1163443933.db2.gz OJNODXFYONRKHP-CABCVRRESA-N 1 3 321.490 2.028 20 0 DEADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CCN(Cc3ccsc3)C2)C1 ZINC001404097835 1163443941 /nfs/dbraw/zinc/44/39/41/1163443941.db2.gz OJNODXFYONRKHP-CABCVRRESA-N 1 3 321.490 2.028 20 0 DEADHO Cc1cccc(CN(CCNC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)c1 ZINC001404304440 1163571767 /nfs/dbraw/zinc/57/17/67/1163571767.db2.gz ABXYIECVIFPZTB-KRWDZBQOSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1cccc(CN(CCNC(=O)[C@H]2CC[N@H+](C)C2)C2CC2)c1 ZINC001404304440 1163571775 /nfs/dbraw/zinc/57/17/75/1163571775.db2.gz ABXYIECVIFPZTB-KRWDZBQOSA-N 1 3 315.461 2.027 20 0 DEADHO C[C@H](NCCN(C)C(=O)CC[NH+](C)C)c1ccc(F)c(F)c1 ZINC001404327367 1163587773 /nfs/dbraw/zinc/58/77/73/1163587773.db2.gz PPRGYSIQLAYCLG-LBPRGKRZSA-N 1 3 313.392 2.026 20 0 DEADHO CN(C)C1(C(=O)NCC2C[NH+](CC3CCCCC3)C2)CCC1 ZINC001404891945 1163849230 /nfs/dbraw/zinc/84/92/30/1163849230.db2.gz VOEFTAAVDYKCSL-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO CC[N@H+](C)CCC(=O)NCC1CN(Cc2cc(C)ccc2C)C1 ZINC001404927017 1163862133 /nfs/dbraw/zinc/86/21/33/1163862133.db2.gz FBQFSYCJSSSQHR-UHFFFAOYSA-N 1 3 317.477 2.193 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCC1CN(Cc2cc(C)ccc2C)C1 ZINC001404927017 1163862136 /nfs/dbraw/zinc/86/21/36/1163862136.db2.gz FBQFSYCJSSSQHR-UHFFFAOYSA-N 1 3 317.477 2.193 20 0 DEADHO Cc1ccccc1CN1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001405032486 1163899991 /nfs/dbraw/zinc/89/99/91/1163899991.db2.gz WXGVOUZAKXWVHD-KRWDZBQOSA-N 1 3 303.450 2.027 20 0 DEADHO CCC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]21 ZINC001406184559 1164496708 /nfs/dbraw/zinc/49/67/08/1164496708.db2.gz MQVYBCIZFNJTIP-HOTGVXAUSA-N 1 3 309.498 2.297 20 0 DEADHO CCC[N@H+]1CC[C@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]21 ZINC001406184559 1164496712 /nfs/dbraw/zinc/49/67/12/1164496712.db2.gz MQVYBCIZFNJTIP-HOTGVXAUSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cccc(F)c1)N(C)C ZINC001406513930 1164648612 /nfs/dbraw/zinc/64/86/12/1164648612.db2.gz ORIWKLWTZMWSBT-XJKSGUPXSA-N 1 3 309.429 2.006 20 0 DEADHO C[C@H](C[N@H+](C)CC1CC(C)(C)C1)NC(=O)CN(C)C1CCC1 ZINC001406629589 1164745639 /nfs/dbraw/zinc/74/56/39/1164745639.db2.gz FODVNXCXWUTEIU-CQSZACIVSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](C[N@@H+](C)CC1CC(C)(C)C1)NC(=O)CN(C)C1CCC1 ZINC001406629589 1164745644 /nfs/dbraw/zinc/74/56/44/1164745644.db2.gz FODVNXCXWUTEIU-CQSZACIVSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](CN(C)[C@H]1CCc2c1cccc2F)NC(=O)CC[NH+](C)C ZINC001406653881 1164765945 /nfs/dbraw/zinc/76/59/45/1164765945.db2.gz MBJQFYQRDYMLCT-DYVFJYSZSA-N 1 3 321.440 2.201 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC001406732464 1164810308 /nfs/dbraw/zinc/81/03/08/1164810308.db2.gz YKTKDELQQPNNRZ-YJBOKZPZSA-N 1 3 317.477 2.451 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001406732464 1164810309 /nfs/dbraw/zinc/81/03/09/1164810309.db2.gz YKTKDELQQPNNRZ-YJBOKZPZSA-N 1 3 317.477 2.451 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001406775249 1164825344 /nfs/dbraw/zinc/82/53/44/1164825344.db2.gz QUYGTAVBEPAXQD-CABCVRRESA-N 1 3 313.461 2.093 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001408254063 1165550309 /nfs/dbraw/zinc/55/03/09/1165550309.db2.gz WWQYDYAACGYUPZ-ZDUSSCGKSA-N 1 3 318.465 2.325 20 0 DEADHO O=C(CCC[NH+]1CCCCC1)N[C@@H]1CCCN(CCCF)C1 ZINC001417915619 1167304208 /nfs/dbraw/zinc/30/42/08/1167304208.db2.gz ZSSHSIUEEBOEPA-MRXNPFEDSA-N 1 3 313.461 2.193 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]([NH2+]CC1CC2(CCC2)C1)C1CC1 ZINC001418013407 1167361703 /nfs/dbraw/zinc/36/17/03/1167361703.db2.gz SGHZFVLLLJPNGZ-KRWDZBQOSA-N 1 3 321.509 2.391 20 0 DEADHO CCc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001418078639 1167398399 /nfs/dbraw/zinc/39/83/99/1167398399.db2.gz XIONKQDRDHHVHJ-IYARVYRRSA-N 1 3 317.477 2.326 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001418301361 1167562002 /nfs/dbraw/zinc/56/20/02/1167562002.db2.gz WGDFZTVKLVYSMR-KGLIPLIRSA-N 1 3 319.440 2.248 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001418301637 1167562693 /nfs/dbraw/zinc/56/26/93/1167562693.db2.gz XUSUSJGUWSPUPV-LLVKDONJSA-N 1 3 317.886 2.338 20 0 DEADHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCc1cccs1 ZINC001418413568 1167636487 /nfs/dbraw/zinc/63/64/87/1167636487.db2.gz FDXWQPUTEFVWPL-HUUCEWRRSA-N 1 3 323.506 2.117 20 0 DEADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cccc(F)c1)N(C)C ZINC001418428089 1167647314 /nfs/dbraw/zinc/64/73/14/1167647314.db2.gz UVPBEMACJQROEC-CJNGLKHVSA-N 1 3 309.429 2.150 20 0 DEADHO CC[N@H+](C)CCC(=O)NCCN(C)Cc1cc(C)ccc1C ZINC001418510696 1167740621 /nfs/dbraw/zinc/74/06/21/1167740621.db2.gz SFWFEZPABZGCEW-UHFFFAOYSA-N 1 3 305.466 2.193 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCCN(C)Cc1cc(C)ccc1C ZINC001418510696 1167740633 /nfs/dbraw/zinc/74/06/33/1167740633.db2.gz SFWFEZPABZGCEW-UHFFFAOYSA-N 1 3 305.466 2.193 20 0 DEADHO C[C@@H](c1cccc(Cl)c1)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001418519149 1167754024 /nfs/dbraw/zinc/75/40/24/1167754024.db2.gz JASFUOLRJSVKJL-DZGCQCFKSA-N 1 3 323.868 2.401 20 0 DEADHO C[C@@H](c1cccc(Cl)c1)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001418519149 1167754046 /nfs/dbraw/zinc/75/40/46/1167754046.db2.gz JASFUOLRJSVKJL-DZGCQCFKSA-N 1 3 323.868 2.401 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[N@H+](CC2CCCC2)C2CC2)C1 ZINC001418790314 1167963216 /nfs/dbraw/zinc/96/32/16/1167963216.db2.gz UVCVUJPGFQPZPZ-OAHLLOKOSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[N@@H+](CC2CCCC2)C2CC2)C1 ZINC001418790314 1167963222 /nfs/dbraw/zinc/96/32/22/1167963222.db2.gz UVCVUJPGFQPZPZ-OAHLLOKOSA-N 1 3 307.482 2.099 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H](C[N@H+](C)CCC3CC3)C2)CCC1 ZINC001418930612 1168073345 /nfs/dbraw/zinc/07/33/45/1168073345.db2.gz KDGRWWYTSFZGJA-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1ccc(F)cc1C ZINC001419273002 1168366312 /nfs/dbraw/zinc/36/63/12/1168366312.db2.gz YOMSJKVIKAKDLM-IRXDYDNUSA-N 1 3 323.456 2.459 20 0 DEADHO CC(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001419330816 1168405499 /nfs/dbraw/zinc/40/54/99/1168405499.db2.gz GVBIQFQUYSUASA-IRXDYDNUSA-N 1 3 309.498 2.155 20 0 DEADHO CC(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001419330816 1168405504 /nfs/dbraw/zinc/40/55/04/1168405504.db2.gz GVBIQFQUYSUASA-IRXDYDNUSA-N 1 3 309.498 2.155 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[N@H+](C)CCC2CC2)C1 ZINC001419336283 1168408955 /nfs/dbraw/zinc/40/89/55/1168408955.db2.gz MJEUJDMOCKGMMW-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[N@@H+](C)CCC2CC2)C1 ZINC001419336283 1168408961 /nfs/dbraw/zinc/40/89/61/1168408961.db2.gz MJEUJDMOCKGMMW-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)CCCF)C1)N(C)C ZINC001419336192 1168409532 /nfs/dbraw/zinc/40/95/32/1168409532.db2.gz CLNWJIVNMBUVJK-CVEARBPZSA-N 1 3 315.477 2.103 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001419477619 1168519546 /nfs/dbraw/zinc/51/95/46/1168519546.db2.gz HGGJSDDIJATVLR-CZUORRHYSA-N 1 3 309.429 2.008 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCC[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001419538226 1168583654 /nfs/dbraw/zinc/58/36/54/1168583654.db2.gz CGOJCXUMKRVCRA-UKRRQHHQSA-N 1 3 306.454 2.135 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCC[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001419538226 1168583659 /nfs/dbraw/zinc/58/36/59/1168583659.db2.gz CGOJCXUMKRVCRA-UKRRQHHQSA-N 1 3 306.454 2.135 20 0 DEADHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccccc1C)N(C)C ZINC001419689537 1168803464 /nfs/dbraw/zinc/80/34/64/1168803464.db2.gz ZEYAHRSVNXNTIZ-NVXWUHKLSA-N 1 3 305.466 2.272 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cncs2)C1 ZINC001420018842 1169065831 /nfs/dbraw/zinc/06/58/31/1169065831.db2.gz KARXRVNYCRKYHK-KBPBESRZSA-N 1 3 324.494 2.002 20 0 DEADHO CCN(CC[NH2+][C@H]1CCc2ccccc21)C(=O)[C@@H]1CCCN1C ZINC001420243623 1169273469 /nfs/dbraw/zinc/27/34/69/1169273469.db2.gz TXDYELWOOILOAK-ROUUACIJSA-N 1 3 315.461 2.206 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001420300127 1169335615 /nfs/dbraw/zinc/33/56/15/1169335615.db2.gz QLLMZFLWHNYDHA-CQSZACIVSA-N 1 3 321.440 2.213 20 0 DEADHO C[C@H](CNCc1ccccc1F)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001420310987 1169345379 /nfs/dbraw/zinc/34/53/79/1169345379.db2.gz FGRLTWOPXHJMRT-ZBFHGGJFSA-N 1 3 321.440 2.294 20 0 DEADHO C[C@H](CNCc1ccccc1F)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001420310987 1169345388 /nfs/dbraw/zinc/34/53/88/1169345388.db2.gz FGRLTWOPXHJMRT-ZBFHGGJFSA-N 1 3 321.440 2.294 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1cc(C)ccc1C)N(C)C ZINC001420344500 1169382577 /nfs/dbraw/zinc/38/25/77/1169382577.db2.gz OVSMUTTXSWRRTL-WBVHZDCISA-N 1 3 305.466 2.238 20 0 DEADHO Cc1cccc(CN(C)CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC001420351688 1169389062 /nfs/dbraw/zinc/38/90/62/1169389062.db2.gz ZVBXQUBIDDLJSA-IAGOWNOFSA-N 1 3 317.477 2.416 20 0 DEADHO C[C@@H]([NH2+]CCC1CC1)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001420751034 1171106298 /nfs/dbraw/zinc/10/62/98/1171106298.db2.gz SWDTZCXRIXLFEW-OAHLLOKOSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001421142436 1171524646 /nfs/dbraw/zinc/52/46/46/1171524646.db2.gz QCIOKJLOGZFZKO-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC2C[NH+](CC3CCC(C)CC3)C2)C1 ZINC001421156328 1171536679 /nfs/dbraw/zinc/53/66/79/1171536679.db2.gz OXXRLTCBQCIKLI-AQFXKWCLSA-N 1 3 321.509 2.203 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@]1(C)CCC[N@@H+](CC(C)C)C1 ZINC001421295566 1171685139 /nfs/dbraw/zinc/68/51/39/1171685139.db2.gz YWZNRPWLXGLYFN-KRWDZBQOSA-N 1 3 306.454 2.135 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@]1(C)CCC[N@H+](CC(C)C)C1 ZINC001421295566 1171685143 /nfs/dbraw/zinc/68/51/43/1171685143.db2.gz YWZNRPWLXGLYFN-KRWDZBQOSA-N 1 3 306.454 2.135 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001421704997 1171914559 /nfs/dbraw/zinc/91/45/59/1171914559.db2.gz VDVYNQRJYOJPEV-HNNXBMFYSA-N 1 3 317.477 2.321 20 0 DEADHO C[C@H](NC(=O)CN1CC[C@@H](C)C1)C1C[NH+](CCCC2CCC2)C1 ZINC001422751062 1172842322 /nfs/dbraw/zinc/84/23/22/1172842322.db2.gz LUXMKKGCLHSOIZ-CVEARBPZSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H]1CC[N@H+](CC(=O)N2CCC(N(C)C/C=C\Cl)CC2)C1 ZINC001422929443 1172949513 /nfs/dbraw/zinc/94/95/13/1172949513.db2.gz UIOCAZDREVUHBI-UMSKNGNOSA-N 1 3 313.873 2.004 20 0 DEADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC(N(C)C/C=C\Cl)CC2)C1 ZINC001422929443 1172949526 /nfs/dbraw/zinc/94/95/26/1172949526.db2.gz UIOCAZDREVUHBI-UMSKNGNOSA-N 1 3 313.873 2.004 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)NC/C=C/Cl ZINC001423075283 1173059217 /nfs/dbraw/zinc/05/92/17/1173059217.db2.gz FOHJIOKTXXXPLN-OCESRQBRSA-N 1 3 315.889 2.296 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)NC/C=C/Cl ZINC001423075283 1173059225 /nfs/dbraw/zinc/05/92/25/1173059225.db2.gz FOHJIOKTXXXPLN-OCESRQBRSA-N 1 3 315.889 2.296 20 0 DEADHO CC(C)N1CCC([NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC001423103985 1173078197 /nfs/dbraw/zinc/07/81/97/1173078197.db2.gz RUQYDGFKFQAIHY-MRXNPFEDSA-N 1 3 301.434 2.254 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCc2cccs2)C[C@H]1C ZINC001423349433 1173279117 /nfs/dbraw/zinc/27/91/17/1173279117.db2.gz IICNRYQDBOJEFA-CABCVRRESA-N 1 3 323.506 2.210 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCCN1C(C)C ZINC001423481094 1173368441 /nfs/dbraw/zinc/36/84/41/1173368441.db2.gz GWIJVMCQXDPMRD-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001424481245 1173804659 /nfs/dbraw/zinc/80/46/59/1173804659.db2.gz IIHSGHSOXAARHP-WBVHZDCISA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CCc1cccs1 ZINC001424862622 1173996374 /nfs/dbraw/zinc/99/63/74/1173996374.db2.gz VCTAVSUJZKRGGH-ZIAGYGMSSA-N 1 3 311.495 2.114 20 0 DEADHO C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)Cc1cccc(F)c1 ZINC001425059299 1174152468 /nfs/dbraw/zinc/15/24/68/1174152468.db2.gz RJAWPOJAIFUTAY-GDBMZVCRSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)Cc1cccc(F)c1 ZINC001425059299 1174152486 /nfs/dbraw/zinc/15/24/86/1174152486.db2.gz RJAWPOJAIFUTAY-GDBMZVCRSA-N 1 3 321.440 2.104 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CCCCC3)C[C@H]21 ZINC001425372924 1174298429 /nfs/dbraw/zinc/29/84/29/1174298429.db2.gz VSTYDXQFNJOZBL-NNZMDNLPSA-N 1 3 321.509 2.201 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CCCCC3)C[C@H]21 ZINC001425372924 1174298436 /nfs/dbraw/zinc/29/84/36/1174298436.db2.gz VSTYDXQFNJOZBL-NNZMDNLPSA-N 1 3 321.509 2.201 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001425497282 1174339594 /nfs/dbraw/zinc/33/95/94/1174339594.db2.gz WVRDDJICCZQEMV-GDBMZVCRSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CC1CC1)C1CC1 ZINC001425504614 1174343420 /nfs/dbraw/zinc/34/34/20/1174343420.db2.gz HTHFXVZZYYJZGZ-ROUUACIJSA-N 1 3 321.509 2.486 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001433980042 1178103175 /nfs/dbraw/zinc/10/31/75/1178103175.db2.gz PRUJZZAXFMZQSO-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001433980042 1178103200 /nfs/dbraw/zinc/10/32/00/1178103200.db2.gz PRUJZZAXFMZQSO-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO O[C@H](CN1CCC(O)(C[NH+]2CCCCC2)CC1)c1ccccc1 ZINC001434510625 1178718530 /nfs/dbraw/zinc/71/85/30/1178718530.db2.gz UUTFEUXTLFNRES-GOSISDBHSA-N 1 3 318.461 2.033 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC2)C1 ZINC001436368176 1179064477 /nfs/dbraw/zinc/06/44/77/1179064477.db2.gz PHYHUHUMMXVKRV-NXNVCVFFSA-N 1 3 307.482 2.144 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCc2cccs2)C1)N(C)C ZINC001436396959 1179079862 /nfs/dbraw/zinc/07/98/62/1179079862.db2.gz MTZQQUYNJITKNU-DZKIICNBSA-N 1 3 323.506 2.115 20 0 DEADHO CCc1cccc(CN2CC[C@@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001436728879 1179206812 /nfs/dbraw/zinc/20/68/12/1179206812.db2.gz BBYHGPQCBVLZLC-GOSISDBHSA-N 1 3 317.477 2.281 20 0 DEADHO CC(C)CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001436856832 1179282574 /nfs/dbraw/zinc/28/25/74/1179282574.db2.gz AETQRCIKFHAGPW-KURKYZTESA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001436856832 1179282577 /nfs/dbraw/zinc/28/25/77/1179282577.db2.gz AETQRCIKFHAGPW-KURKYZTESA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001436856837 1179282780 /nfs/dbraw/zinc/28/27/80/1179282780.db2.gz AETQRCIKFHAGPW-OKZBNKHCSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001436856837 1179282786 /nfs/dbraw/zinc/28/27/86/1179282786.db2.gz AETQRCIKFHAGPW-OKZBNKHCSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCC1CCCCC1 ZINC001437214646 1179593344 /nfs/dbraw/zinc/59/33/44/1179593344.db2.gz WQZABOMRNJEWPN-CVEARBPZSA-N 1 3 309.498 2.393 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](C)[C@H](C)c1cccc(OC)c1)N(C)C ZINC001437516971 1179832936 /nfs/dbraw/zinc/83/29/36/1179832936.db2.gz LAKFTMBMDGJXQL-PBHICJAKSA-N 1 3 321.465 2.144 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](C)[C@H](C)c1cccc(OC)c1)N(C)C ZINC001437516971 1179832938 /nfs/dbraw/zinc/83/29/38/1179832938.db2.gz LAKFTMBMDGJXQL-PBHICJAKSA-N 1 3 321.465 2.144 20 0 DEADHO CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccc(C2CC2)cc1 ZINC001437559716 1179846717 /nfs/dbraw/zinc/84/67/17/1179846717.db2.gz MZNHRZXLZBAVMB-GOSISDBHSA-N 1 3 315.461 2.064 20 0 DEADHO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccc(C2CC2)cc1 ZINC001437559716 1179846720 /nfs/dbraw/zinc/84/67/20/1179846720.db2.gz MZNHRZXLZBAVMB-GOSISDBHSA-N 1 3 315.461 2.064 20 0 DEADHO CC[C@H](C)C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001437729085 1179913269 /nfs/dbraw/zinc/91/32/69/1179913269.db2.gz RSZRUBHOKMDZSY-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C)C[N@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001437729085 1179913283 /nfs/dbraw/zinc/91/32/83/1179913283.db2.gz RSZRUBHOKMDZSY-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@H](C(=O)NCC[N@H+](CC1CCCC1)C1CC1)N(C)C ZINC001437811730 1180007738 /nfs/dbraw/zinc/00/77/38/1180007738.db2.gz MGZTTXXLEFZIJR-QGZVFWFLSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](C(=O)NCC[N@@H+](CC1CCCC1)C1CC1)N(C)C ZINC001437811730 1180007748 /nfs/dbraw/zinc/00/77/48/1180007748.db2.gz MGZTTXXLEFZIJR-QGZVFWFLSA-N 1 3 309.498 2.343 20 0 DEADHO CN(CCF)CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001438002574 1180149872 /nfs/dbraw/zinc/14/98/72/1180149872.db2.gz WBZXVRBAUPEMLB-UHFFFAOYSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@@H](c1ccccc1)N1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001438132518 1180210241 /nfs/dbraw/zinc/21/02/41/1180210241.db2.gz CCXFTNCCJJYBPM-HNNXBMFYSA-N 1 3 315.461 2.137 20 0 DEADHO C[C@@H](c1ccccc1)[NH+]1CC(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001438140949 1180214906 /nfs/dbraw/zinc/21/49/06/1180214906.db2.gz BWOCGNUSVSADDJ-HOTGVXAUSA-N 1 3 315.461 2.137 20 0 DEADHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1cccc(C)c1 ZINC001438324030 1180344937 /nfs/dbraw/zinc/34/49/37/1180344937.db2.gz CGIVUIHQGAYOOI-WMZOPIPTSA-N 1 3 317.477 2.321 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+]C/C=C\c2ccccc2)CC1 ZINC001439678967 1181196507 /nfs/dbraw/zinc/19/65/07/1181196507.db2.gz VITCKSHXCROSGU-YFHOEESVSA-N 1 3 315.461 2.278 20 0 DEADHO CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001439983146 1181335043 /nfs/dbraw/zinc/33/50/43/1181335043.db2.gz VDGIKSQVDBEDMX-AWEZNQCLSA-N 1 3 319.440 2.200 20 0 DEADHO CCCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001439983146 1181335050 /nfs/dbraw/zinc/33/50/50/1181335050.db2.gz VDGIKSQVDBEDMX-AWEZNQCLSA-N 1 3 319.440 2.200 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]2C[N@H+](CC3CC3)C[C@H]21)N(CC)CC ZINC001440192056 1181377582 /nfs/dbraw/zinc/37/75/82/1181377582.db2.gz ZOICQVNSHPMBGR-OKZBNKHCSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]2C[N@@H+](CC3CC3)C[C@H]21)N(CC)CC ZINC001440192056 1181377590 /nfs/dbraw/zinc/37/75/90/1181377590.db2.gz ZOICQVNSHPMBGR-OKZBNKHCSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@H](F)C[NH2+]C1(CNC(=O)[C@@H]2CCCN2C(C)C)CCC1 ZINC001440305626 1181439024 /nfs/dbraw/zinc/43/90/24/1181439024.db2.gz USAHLCLXNONEHO-GJZGRUSLSA-N 1 3 313.461 2.236 20 0 DEADHO CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@H]2CCCN2C(C)C)CCC1 ZINC001440305632 1181439075 /nfs/dbraw/zinc/43/90/75/1181439075.db2.gz USAHLCLXNONEHO-HUUCEWRRSA-N 1 3 313.461 2.236 20 0 DEADHO CC(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001440400861 1181486067 /nfs/dbraw/zinc/48/60/67/1181486067.db2.gz KEVDEXBGODPXLI-YESZJQIVSA-N 1 3 309.498 2.249 20 0 DEADHO C[NH+](C)CCC(=O)N1CCC[C@@]2(CCN(C/C=C/Cl)C2)C1 ZINC001440540285 1181588565 /nfs/dbraw/zinc/58/85/65/1181588565.db2.gz TVNDEWGRLJRTDN-YCOJEUHLSA-N 1 3 313.873 2.005 20 0 DEADHO CCc1cccc(CN(C)[C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001441014575 1181826430 /nfs/dbraw/zinc/82/64/30/1181826430.db2.gz SOUYMOPTRRZTJA-QAPCUYQASA-N 1 3 317.477 2.137 20 0 DEADHO CCc1cccc(CN(C)[C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001441014575 1181826434 /nfs/dbraw/zinc/82/64/34/1181826434.db2.gz SOUYMOPTRRZTJA-QAPCUYQASA-N 1 3 317.477 2.137 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC([N@H+](C)CC[C@H](C)F)CC1)N(C)C ZINC001441381126 1181965229 /nfs/dbraw/zinc/96/52/29/1181965229.db2.gz GHGYRJQPCXFBRT-HOCLYGCPSA-N 1 3 315.477 2.244 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC([N@@H+](C)CC[C@H](C)F)CC1)N(C)C ZINC001441381126 1181965234 /nfs/dbraw/zinc/96/52/34/1181965234.db2.gz GHGYRJQPCXFBRT-HOCLYGCPSA-N 1 3 315.477 2.244 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C/C=C\c1ccccc1 ZINC001441843052 1182209687 /nfs/dbraw/zinc/20/96/87/1182209687.db2.gz PEHBIKLYDIZLPV-MRDWYFFCSA-N 1 3 315.461 2.278 20 0 DEADHO CCc1cccc(C[NH2+][C@@H](C)CNC(=O)CN(C)C(C)C)c1 ZINC001442059553 1182303991 /nfs/dbraw/zinc/30/39/91/1182303991.db2.gz FPCCKYCTLKLFLM-HNNXBMFYSA-N 1 3 305.466 2.184 20 0 DEADHO CC(C)C[C@H](C)C[NH2+]C1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC001442251646 1182390858 /nfs/dbraw/zinc/39/08/58/1182390858.db2.gz HPTMCVMXHPKRDH-HLIUYOAVSA-N 1 3 306.454 2.213 20 0 DEADHO CN(CCNC(=O)CC[NH+](C)C)Cc1ccc(C(F)F)cc1 ZINC001442502128 1182503842 /nfs/dbraw/zinc/50/38/42/1182503842.db2.gz LSSZANCAWKOBAO-UHFFFAOYSA-N 1 3 313.392 2.124 20 0 DEADHO C[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCC2CC2)C1)N1CCCCCC1 ZINC001442874262 1182759366 /nfs/dbraw/zinc/75/93/66/1182759366.db2.gz ARGCPRWDZYRUPT-WMZOPIPTSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCC2CC2)C1)N1CCCCCC1 ZINC001442874262 1182759375 /nfs/dbraw/zinc/75/93/75/1182759375.db2.gz ARGCPRWDZYRUPT-WMZOPIPTSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]([NH2+]CCN(C)C(=O)CN1CC[C@@H](C)C1)c1cccc(F)c1 ZINC001443078422 1182842373 /nfs/dbraw/zinc/84/23/73/1182842373.db2.gz KZICIUIQYPQKFO-HUUCEWRRSA-N 1 3 321.440 2.277 20 0 DEADHO CN(C)C1(C(=O)NCC[C@@H]2CC[N@H+](C/C=C\Cl)C2)CCC1 ZINC001443258489 1182895886 /nfs/dbraw/zinc/89/58/86/1182895886.db2.gz YKDZQBOCHUZQMW-RXTQTKKPSA-N 1 3 313.873 2.051 20 0 DEADHO CN(C)C1(C(=O)NCC[C@@H]2CC[N@@H+](C/C=C\Cl)C2)CCC1 ZINC001443258489 1182895887 /nfs/dbraw/zinc/89/58/87/1182895887.db2.gz YKDZQBOCHUZQMW-RXTQTKKPSA-N 1 3 313.873 2.051 20 0 DEADHO C[C@H](C[NH2+][C@H]1CCc2ccccc21)N(C)C(=O)CN1CCCC1 ZINC001444718852 1183530348 /nfs/dbraw/zinc/53/03/48/1183530348.db2.gz FPUGRXNBVFYCGX-QAPCUYQASA-N 1 3 315.461 2.206 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]C/C=C\Cl)C1 ZINC001444811814 1183565069 /nfs/dbraw/zinc/56/50/69/1183565069.db2.gz IZMSQMBWUMOEJF-MSSSOJMCSA-N 1 3 315.889 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)CC[NH2+][C@H]1CCc2ccccc21 ZINC001445311026 1183830797 /nfs/dbraw/zinc/83/07/97/1183830797.db2.gz SQGWWYRJPQLPFL-YJBOKZPZSA-N 1 3 317.477 2.499 20 0 DEADHO C[C@@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)C(C)(C)N1CCCC1 ZINC001445590045 1183920153 /nfs/dbraw/zinc/92/01/53/1183920153.db2.gz BTRNONLXOWBNCT-AWEZNQCLSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)CN(C)CC(C)(C)C ZINC001445605185 1183929380 /nfs/dbraw/zinc/92/93/80/1183929380.db2.gz MCIKQQXWPQWCJD-LBPRGKRZSA-N 1 3 319.440 2.104 20 0 DEADHO C[C@H](CN(C)[C@H](C)c1ccc(F)cc1)NC(=O)CC[NH+](C)C ZINC001445804476 1184062843 /nfs/dbraw/zinc/06/28/43/1184062843.db2.gz WNVCVMOXXPRYAW-ZIAGYGMSSA-N 1 3 309.429 2.275 20 0 DEADHO Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C(C)C)cc1 ZINC001445880308 1184112041 /nfs/dbraw/zinc/11/20/41/1184112041.db2.gz ZCMNYNFWQKWLJT-MRXNPFEDSA-N 1 3 305.466 2.272 20 0 DEADHO Cc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)CN(C)C(C)C)cc1 ZINC001445880308 1184112042 /nfs/dbraw/zinc/11/20/42/1184112042.db2.gz ZCMNYNFWQKWLJT-MRXNPFEDSA-N 1 3 305.466 2.272 20 0 DEADHO CC(C)(C(=O)NCC1([NH2+]CCC2CC2)CC1)N1CCCCC1 ZINC001446170141 1184258750 /nfs/dbraw/zinc/25/87/50/1184258750.db2.gz VUSRGHVJKRRGAA-UHFFFAOYSA-N 1 3 307.482 2.289 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001446464117 1184361425 /nfs/dbraw/zinc/36/14/25/1184361425.db2.gz SRKCBFKXAGSVKO-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCC1(F)F ZINC001446726919 1184530515 /nfs/dbraw/zinc/53/05/15/1184530515.db2.gz OEKPZHMDZRCJPA-AWEZNQCLSA-N 1 3 319.440 2.058 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCC1(F)F ZINC001446726919 1184530522 /nfs/dbraw/zinc/53/05/22/1184530522.db2.gz OEKPZHMDZRCJPA-AWEZNQCLSA-N 1 3 319.440 2.058 20 0 DEADHO CC[C@H](F)C[NH2+]C1(C)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001447547669 1184807112 /nfs/dbraw/zinc/80/71/12/1184807112.db2.gz HRHJIACCBAMLGB-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO CCCN(C)CC(=O)N(C)C1CCC([NH2+]C/C=C\Cl)CC1 ZINC001447943299 1184967640 /nfs/dbraw/zinc/96/76/40/1184967640.db2.gz AHGFKMORNWHQRS-YHYXMXQVSA-N 1 3 315.889 2.440 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@H+](CC[C@@H](C)F)C2 ZINC001448480670 1185249414 /nfs/dbraw/zinc/24/94/14/1185249414.db2.gz ICZMSEDZCWYLEM-OAHLLOKOSA-N 1 3 313.461 2.001 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@@H+](CC[C@@H](C)F)C2 ZINC001448480670 1185249425 /nfs/dbraw/zinc/24/94/25/1185249425.db2.gz ICZMSEDZCWYLEM-OAHLLOKOSA-N 1 3 313.461 2.001 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1C[C@H](NC/C=C/Cl)C[C@@H]1C ZINC001449023246 1185492666 /nfs/dbraw/zinc/49/26/66/1185492666.db2.gz WOMXUMVZEAXZKQ-CXSYMGSUSA-N 1 3 301.862 2.050 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](NC/C=C/Cl)C[C@@H]1C ZINC001449023246 1185492672 /nfs/dbraw/zinc/49/26/72/1185492672.db2.gz WOMXUMVZEAXZKQ-CXSYMGSUSA-N 1 3 301.862 2.050 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C1CC[NH+](CC[C@@H](C)F)CC1 ZINC001449355567 1185673804 /nfs/dbraw/zinc/67/38/04/1185673804.db2.gz PMVNHVCESGCUSB-HUUCEWRRSA-N 1 3 315.477 2.291 20 0 DEADHO CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1)N(C)C ZINC001370590106 1149815471 /nfs/dbraw/zinc/81/54/71/1149815471.db2.gz ASFOYVCESGTRAB-HMQMGEFJSA-N 1 3 307.482 2.238 20 0 DEADHO CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1)N(C)C ZINC001370590106 1149815468 /nfs/dbraw/zinc/81/54/68/1149815468.db2.gz ASFOYVCESGTRAB-HMQMGEFJSA-N 1 3 307.482 2.238 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2C[N@H+](C)CC2CCC2)C1 ZINC001089227377 782293904 /nfs/dbraw/zinc/29/39/04/782293904.db2.gz SCEBQBVCGHFKCW-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2C[N@@H+](C)CC2CCC2)C1 ZINC001089227377 782293911 /nfs/dbraw/zinc/29/39/11/782293911.db2.gz SCEBQBVCGHFKCW-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089491816 783157762 /nfs/dbraw/zinc/15/77/62/783157762.db2.gz VUMFUXGWJYBYFE-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[N@H+]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089491816 783157772 /nfs/dbraw/zinc/15/77/72/783157772.db2.gz VUMFUXGWJYBYFE-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H]([NH2+]CCCNC(=O)CN(C)C1CCC1)c1ccccc1F ZINC001160003245 790368510 /nfs/dbraw/zinc/36/85/10/790368510.db2.gz FLZMAKJWVIDPJM-AWEZNQCLSA-N 1 3 321.440 2.467 20 0 DEADHO CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC001075448328 777330933 /nfs/dbraw/zinc/33/09/33/777330933.db2.gz UCEFTYZGRLYWBK-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC001075448328 777330941 /nfs/dbraw/zinc/33/09/41/777330941.db2.gz UCEFTYZGRLYWBK-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CCC1 ZINC001087212810 777350420 /nfs/dbraw/zinc/35/04/20/777350420.db2.gz QZMZAUIXSUQPKZ-NUJGCVRESA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC2CCC2)C1 ZINC001087213059 777350529 /nfs/dbraw/zinc/35/05/29/777350529.db2.gz CMNOUUDBYVZXEB-RYRKJORJSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@@H](F)C[NH2+]CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001167626472 777405648 /nfs/dbraw/zinc/40/56/48/777405648.db2.gz CCFNJPHYUWCOCJ-HUUCEWRRSA-N 1 3 301.450 2.093 20 0 DEADHO CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104729638 778050611 /nfs/dbraw/zinc/05/06/11/778050611.db2.gz YDXCVWADCUTREG-KSLSASGISA-N 1 3 318.465 2.383 20 0 DEADHO CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001104753971 778150744 /nfs/dbraw/zinc/15/07/44/778150744.db2.gz XJYHIAXFQBRYSV-ZACQAIPSSA-N 1 3 309.498 2.343 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CC2)C1 ZINC001105067077 778323261 /nfs/dbraw/zinc/32/32/61/778323261.db2.gz LTQPWFUXAGQMSM-KBAYOESNSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001112529633 778606593 /nfs/dbraw/zinc/60/65/93/778606593.db2.gz ILWIHKQNUBVECG-LNLFQRSKSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)N(C)CC(=O)NCC1CC[NH+](CCCCCF)CC1 ZINC001225582322 778977744 /nfs/dbraw/zinc/97/77/44/778977744.db2.gz JOVZOKDDQAHTGH-UHFFFAOYSA-N 1 3 315.477 2.295 20 0 DEADHO Cc1nc2c(n1C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CNCC2 ZINC001167994981 779214096 /nfs/dbraw/zinc/21/40/96/779214096.db2.gz SFRQKEDRAYJOFO-XYPWUTKMSA-N 1 3 300.450 2.415 20 0 DEADHO Cc1nc2c(n1C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CNCC2 ZINC001167994981 779214101 /nfs/dbraw/zinc/21/41/01/779214101.db2.gz SFRQKEDRAYJOFO-XYPWUTKMSA-N 1 3 300.450 2.415 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCC3CC3)C[C@H]21 ZINC001075784868 779232313 /nfs/dbraw/zinc/23/23/13/779232313.db2.gz JWTMJYXNHXTAFX-OKZBNKHCSA-N 1 3 319.493 2.192 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCC3CC3)C[C@H]21 ZINC001075784868 779232315 /nfs/dbraw/zinc/23/23/15/779232315.db2.gz JWTMJYXNHXTAFX-OKZBNKHCSA-N 1 3 319.493 2.192 20 0 DEADHO CN1CCC[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@H]21 ZINC001168004761 779263573 /nfs/dbraw/zinc/26/35/73/779263573.db2.gz YPLOYFUDVKVQRL-BSLJZLGVSA-N 1 3 303.494 2.418 20 0 DEADHO CN1CCC[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@H]21 ZINC001168004761 779263574 /nfs/dbraw/zinc/26/35/74/779263574.db2.gz YPLOYFUDVKVQRL-BSLJZLGVSA-N 1 3 303.494 2.418 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CC2CC2)C1)C1CC1 ZINC001088327586 779960523 /nfs/dbraw/zinc/96/05/23/779960523.db2.gz QZXKDJZDJQFXLH-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)C[NH2+][C@H]1CCCCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001088382076 780052202 /nfs/dbraw/zinc/05/22/02/780052202.db2.gz UGAHQLBCNFVRTA-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CCN1CCC(F)(F)F ZINC001088666408 780700101 /nfs/dbraw/zinc/70/01/01/780700101.db2.gz GSTMHRZTADIHQR-AGIUHOORSA-N 1 3 321.387 2.002 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CCN1CCC(F)(F)F ZINC001088666408 780700105 /nfs/dbraw/zinc/70/01/05/780700105.db2.gz GSTMHRZTADIHQR-AGIUHOORSA-N 1 3 321.387 2.002 20 0 DEADHO CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN2CC[C@@H](C)C2)CCC1 ZINC001105563190 780766311 /nfs/dbraw/zinc/76/63/11/780766311.db2.gz GILAZCMOSVUUKI-SJORKVTESA-N 1 3 321.509 2.489 20 0 DEADHO COc1cccc2c1C[C@H]([NH2+]C1CCN(CC3CC3)CC1)CO2 ZINC001168363067 781029146 /nfs/dbraw/zinc/02/91/46/781029146.db2.gz SAPMRGILSWUFRJ-INIZCTEOSA-N 1 3 316.445 2.463 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCC1CC([NH2+]CCC2CC2)C1 ZINC001091058144 790872611 /nfs/dbraw/zinc/87/26/11/790872611.db2.gz LAJZLFGKWBFGRR-JCYILVPMSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)N1CCN(CC[NH2+][C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168407807 781884752 /nfs/dbraw/zinc/88/47/52/781884752.db2.gz QYOWIYSOOAFLCV-IBGZPJMESA-N 1 3 319.468 2.299 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC ZINC001089645867 783317295 /nfs/dbraw/zinc/31/72/95/783317295.db2.gz BVNIKDVLKKVBCY-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC ZINC001089645867 783317306 /nfs/dbraw/zinc/31/73/06/783317306.db2.gz BVNIKDVLKKVBCY-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N1CC[C@@H]1CN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001085742100 784027201 /nfs/dbraw/zinc/02/72/01/784027201.db2.gz ISMBKKREHMFRII-QGZVFWFLSA-N 1 3 317.477 2.345 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001007327323 784889465 /nfs/dbraw/zinc/88/94/65/784889465.db2.gz NGMHMRSKAUNUGT-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001007327323 784889474 /nfs/dbraw/zinc/88/94/74/784889474.db2.gz NGMHMRSKAUNUGT-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(CC=C(C)C)C2)CC[N@@H+]1C ZINC001007368105 784901384 /nfs/dbraw/zinc/90/13/84/784901384.db2.gz BHSBYVFRQZJDEZ-IXDOHACOSA-N 1 3 307.482 2.264 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(CC=C(C)C)C2)CC[N@H+]1C ZINC001007368105 784901387 /nfs/dbraw/zinc/90/13/87/784901387.db2.gz BHSBYVFRQZJDEZ-IXDOHACOSA-N 1 3 307.482 2.264 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@]3(C[C@H](OCC4CC4)CO3)C1)C2 ZINC001169137579 785053446 /nfs/dbraw/zinc/05/34/46/785053446.db2.gz DKXDTOUKQJCWNE-BRIYLRKRSA-N 1 3 320.477 2.272 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@]3(C[C@H](OCC4CC4)CO3)C1)C2 ZINC001169137579 785053454 /nfs/dbraw/zinc/05/34/54/785053454.db2.gz DKXDTOUKQJCWNE-BRIYLRKRSA-N 1 3 320.477 2.272 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC(C(=O)N3CCCCC3)CC1)C2 ZINC001169141901 785059886 /nfs/dbraw/zinc/05/98/86/785059886.db2.gz SVBSZYSCXKUIJN-BCDXTJNWSA-N 1 3 319.493 2.336 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC(C(=O)N3CCCCC3)CC1)C2 ZINC001169141901 785059887 /nfs/dbraw/zinc/05/98/87/785059887.db2.gz SVBSZYSCXKUIJN-BCDXTJNWSA-N 1 3 319.493 2.336 20 0 DEADHO CC(=O)N1CCC[C@@H]([N@@H+]2CCCC[C@H]2CCN2CCCC2)C1 ZINC001169613961 785278479 /nfs/dbraw/zinc/27/84/79/785278479.db2.gz AXUYUQHNWYGCOJ-ZWKOTPCHSA-N 1 3 307.482 2.338 20 0 DEADHO CC(=O)N1CCC[C@@H]([N@H+]2CCCC[C@H]2CCN2CCCC2)C1 ZINC001169613961 785278487 /nfs/dbraw/zinc/27/84/87/785278487.db2.gz AXUYUQHNWYGCOJ-ZWKOTPCHSA-N 1 3 307.482 2.338 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001008746080 785291660 /nfs/dbraw/zinc/29/16/60/785291660.db2.gz HMDRVWQOSZFZHW-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001008746080 785291667 /nfs/dbraw/zinc/29/16/67/785291667.db2.gz HMDRVWQOSZFZHW-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1cccc(CN2CCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001009506729 785468718 /nfs/dbraw/zinc/46/87/18/785468718.db2.gz FKSRJOBWBXNWHE-QZTJIDSGSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1cccc(CN2CCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001009506729 785468721 /nfs/dbraw/zinc/46/87/21/785468721.db2.gz FKSRJOBWBXNWHE-QZTJIDSGSA-N 1 3 315.461 2.027 20 0 DEADHO O=C(N[C@@H]1CCN(CC2=CCCCC2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001014470774 786595526 /nfs/dbraw/zinc/59/55/26/786595526.db2.gz UWXXLPIMVCESMU-QZTJIDSGSA-N 1 3 317.477 2.019 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001014623412 786665631 /nfs/dbraw/zinc/66/56/31/786665631.db2.gz BNPPUCHDFYUEOG-SJORKVTESA-N 1 3 321.509 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001014623412 786665635 /nfs/dbraw/zinc/66/56/35/786665635.db2.gz BNPPUCHDFYUEOG-SJORKVTESA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)C[C@H](C)CN1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001113538658 786668162 /nfs/dbraw/zinc/66/81/62/786668162.db2.gz ZMWQNIVUOKKVAZ-IRXDYDNUSA-N 1 3 309.498 2.155 20 0 DEADHO CC(C)C[C@H](C)CN1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001113538658 786668165 /nfs/dbraw/zinc/66/81/65/786668165.db2.gz ZMWQNIVUOKKVAZ-IRXDYDNUSA-N 1 3 309.498 2.155 20 0 DEADHO CC(C)c1ccccc1C[NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001129444007 787214763 /nfs/dbraw/zinc/21/47/63/787214763.db2.gz OCOWCLGCZLRORU-GOSISDBHSA-N 1 3 317.477 2.356 20 0 DEADHO CN(CC(=O)NCC[NH2+]Cc1ccc(Cl)s1)C1CCC1 ZINC001129526400 787222020 /nfs/dbraw/zinc/22/20/20/787222020.db2.gz FLGLENYPAXWJLP-UHFFFAOYSA-N 1 3 315.870 2.092 20 0 DEADHO COc1cccc([C@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001129949418 787262625 /nfs/dbraw/zinc/26/26/25/787262625.db2.gz CVTWOWNKFPZGSD-YOEHRIQHSA-N 1 3 321.465 2.048 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC ZINC001096313486 787608046 /nfs/dbraw/zinc/60/80/46/787608046.db2.gz IDGOKVLUDWNETI-LTIDMASMSA-N 1 3 307.482 2.382 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC ZINC001096313486 787608041 /nfs/dbraw/zinc/60/80/41/787608041.db2.gz IDGOKVLUDWNETI-LTIDMASMSA-N 1 3 307.482 2.382 20 0 DEADHO CC(C)=CCN1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132240332 787991995 /nfs/dbraw/zinc/99/19/95/787991995.db2.gz FKLHOIUDQZGMGN-CVEARBPZSA-N 1 3 307.482 2.264 20 0 DEADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC1)C12CCCN1CCC2 ZINC001097431140 788101759 /nfs/dbraw/zinc/10/17/59/788101759.db2.gz YVSXMJMQGQNFFF-ZACQAIPSSA-N 1 3 317.477 2.136 20 0 DEADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1)C12CCCN1CCC2 ZINC001097431140 788101762 /nfs/dbraw/zinc/10/17/62/788101762.db2.gz YVSXMJMQGQNFFF-ZACQAIPSSA-N 1 3 317.477 2.136 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC2CCC2)C1 ZINC001133274453 788345829 /nfs/dbraw/zinc/34/58/29/788345829.db2.gz IJDRJGLQXBIJFN-NVXWUHKLSA-N 1 3 309.498 2.203 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+]CCNC(=O)CN2CCC[C@@H]2C)c1 ZINC001133824101 788630115 /nfs/dbraw/zinc/63/01/15/788630115.db2.gz XTFFDXVOGJNHFU-JKSUJKDBSA-N 1 3 303.450 2.246 20 0 DEADHO C[C@@H](NCCNC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccccc1Cl ZINC001133851046 788633463 /nfs/dbraw/zinc/63/34/63/788633463.db2.gz VPKVILAHGBYJPJ-UONOGXRCSA-N 1 3 323.868 2.449 20 0 DEADHO C[C@@H](NCCNC(=O)C[N@H+]1CC[C@H](C)C1)c1ccccc1Cl ZINC001133851046 788633465 /nfs/dbraw/zinc/63/34/65/788633465.db2.gz VPKVILAHGBYJPJ-UONOGXRCSA-N 1 3 323.868 2.449 20 0 DEADHO C[C@H](C[C@@H](C)[NH2+]CCCF)NC(=O)C(C)(C)N1CCCCC1 ZINC001134369916 788900005 /nfs/dbraw/zinc/90/00/05/788900005.db2.gz UTWGNONKJHWOAZ-HUUCEWRRSA-N 1 3 315.477 2.483 20 0 DEADHO CC1(C)[C@@H]2C[C@@H](N3CCC([NH+]4CCC(C(N)=O)CC4)CC3)C[C@@H]21 ZINC001170759915 789000873 /nfs/dbraw/zinc/00/08/73/789000873.db2.gz FRDBTZFOMXTKDJ-OSYLJGHBSA-N 1 3 319.493 2.083 20 0 DEADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1cc(C)no1 ZINC001134773763 789075495 /nfs/dbraw/zinc/07/54/95/789075495.db2.gz RLPXAAKVLGQXLL-OLZOCXBDSA-N 1 3 324.469 2.086 20 0 DEADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1cc(C)no1 ZINC001134773763 789075500 /nfs/dbraw/zinc/07/55/00/789075500.db2.gz RLPXAAKVLGQXLL-OLZOCXBDSA-N 1 3 324.469 2.086 20 0 DEADHO Cc1nc(C)c(CN[C@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C)o1 ZINC001135314692 789286965 /nfs/dbraw/zinc/28/69/65/789286965.db2.gz FNELZBCDIWPZBD-OLZOCXBDSA-N 1 3 324.469 2.006 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001135981194 789583063 /nfs/dbraw/zinc/58/30/63/789583063.db2.gz ZCZFNSUSKLGZTE-CHWSQXEVSA-N 1 3 319.440 2.246 20 0 DEADHO CC[N@@H+]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)CC[C@H]1C ZINC001072095246 790050482 /nfs/dbraw/zinc/05/04/82/790050482.db2.gz GVZBHTOIRSKSDB-RHSMWYFYSA-N 1 3 303.450 2.351 20 0 DEADHO CC[N@H+]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)CC[C@H]1C ZINC001072095246 790050485 /nfs/dbraw/zinc/05/04/85/790050485.db2.gz GVZBHTOIRSKSDB-RHSMWYFYSA-N 1 3 303.450 2.351 20 0 DEADHO CCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001072735774 790233560 /nfs/dbraw/zinc/23/35/60/790233560.db2.gz QDNYKLJGSQJUMG-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[N@H+]1CCC2(CN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001072735774 790233565 /nfs/dbraw/zinc/23/35/65/790233565.db2.gz QDNYKLJGSQJUMG-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cccc(C)c2)[C@@H]1C)N(C)C ZINC001074709792 791270115 /nfs/dbraw/zinc/27/01/15/791270115.db2.gz QSNFDGGCUOOXTO-RYQLBKOJSA-N 1 3 317.477 2.414 20 0 DEADHO Cc1nc(C)c(C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)C)o1 ZINC001146593581 791317910 /nfs/dbraw/zinc/31/79/10/791317910.db2.gz QEQMUFHVEWIIIL-OLZOCXBDSA-N 1 3 324.469 2.005 20 0 DEADHO Cc1ncccc1C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146591366 791318575 /nfs/dbraw/zinc/31/85/75/791318575.db2.gz GIJGEYIBGAZLGW-CABCVRRESA-N 1 3 320.481 2.103 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1C[NH2+]CC1CCC1 ZINC001075290562 791561666 /nfs/dbraw/zinc/56/16/66/791561666.db2.gz OCDHJMJVMCHGMA-DOTOQJQBSA-N 1 3 321.509 2.345 20 0 DEADHO CC/C=C\CC[N@@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001148292770 791731628 /nfs/dbraw/zinc/73/16/28/791731628.db2.gz SNTFTLICZZCHDQ-CHYADLBTSA-N 1 3 319.493 2.219 20 0 DEADHO CC/C=C\CC[N@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001148292770 791731630 /nfs/dbraw/zinc/73/16/30/791731630.db2.gz SNTFTLICZZCHDQ-CHYADLBTSA-N 1 3 319.493 2.219 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](C(C)C)C[C@@]2(C)C1 ZINC001091715874 791741844 /nfs/dbraw/zinc/74/18/44/791741844.db2.gz HHRKRGDWDPZJIX-NUJGCVRESA-N 1 3 307.482 2.050 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](C(C)C)C[C@@]2(C)C1 ZINC001091715874 791741849 /nfs/dbraw/zinc/74/18/49/791741849.db2.gz HHRKRGDWDPZJIX-NUJGCVRESA-N 1 3 307.482 2.050 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001148638470 791786450 /nfs/dbraw/zinc/78/64/50/791786450.db2.gz IHXWPHZKRGLMFN-QGZVFWFLSA-N 1 3 321.440 2.251 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001148638751 791786937 /nfs/dbraw/zinc/78/69/37/791786937.db2.gz QAOGEHXNNXGGAY-UHFFFAOYSA-N 1 3 315.820 2.027 20 0 DEADHO C[C@H]1CC2(CN1C(=O)[C@H]1CCCN1C)CC[NH+](CC1CC1)CC2 ZINC001086910685 791847725 /nfs/dbraw/zinc/84/77/25/791847725.db2.gz ZFOJRNMNKMKJNC-DOTOQJQBSA-N 1 3 319.493 2.194 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC2CC(C)(C)C2)[C@H](C)C1)N(C)C ZINC001093857547 792623085 /nfs/dbraw/zinc/62/30/85/792623085.db2.gz KQLFDAHSZJHXKK-DJIMGWMZSA-N 1 3 323.525 2.447 20 0 DEADHO CC(C)CCC[NH2+]C1CC(CNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001100408228 792633287 /nfs/dbraw/zinc/63/32/87/792633287.db2.gz YZQKWRJVRNBUHQ-BDVYOWHSSA-N 1 3 309.498 2.247 20 0 DEADHO CCN(CC)CC(=O)NCC1CC([NH2+]CC2CCCCC2)C1 ZINC001100770536 792834020 /nfs/dbraw/zinc/83/40/20/792834020.db2.gz HWAZSDMZIGXFOX-UHFFFAOYSA-N 1 3 309.498 2.393 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1CC([NH2+]CC2=CCCCC2)C1 ZINC001100918092 792918473 /nfs/dbraw/zinc/91/84/73/792918473.db2.gz DLCPTQFDYCEGPO-UHFFFAOYSA-N 1 3 316.449 2.245 20 0 DEADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]CCCC2CCC2)C1 ZINC001101036122 792977635 /nfs/dbraw/zinc/97/76/35/792977635.db2.gz IPNWOKNKVQPTNE-UHFFFAOYSA-N 1 3 309.498 2.391 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](CC(C)C)C[C@@]2(C)C1 ZINC001101282143 793098637 /nfs/dbraw/zinc/09/86/37/793098637.db2.gz UEROYABYOZNBDB-QAPCUYQASA-N 1 3 309.498 2.153 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](CC(C)C)C[C@@]2(C)C1 ZINC001101282143 793098647 /nfs/dbraw/zinc/09/86/47/793098647.db2.gz UEROYABYOZNBDB-QAPCUYQASA-N 1 3 309.498 2.153 20 0 DEADHO Cc1cccc2c1CC[C@H]([NH2+]CCN1CCN(C(C)C)CC1)C2 ZINC001171554203 793131540 /nfs/dbraw/zinc/13/15/40/793131540.db2.gz XYPHWAKRDPVOMP-IBGZPJMESA-N 1 3 315.505 2.468 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001171762422 793199592 /nfs/dbraw/zinc/19/95/92/793199592.db2.gz DIGGCVQGRURCMZ-UHFFFAOYSA-N 1 3 316.449 2.106 20 0 DEADHO CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001101522333 793204644 /nfs/dbraw/zinc/20/46/44/793204644.db2.gz WIYXQHQERUERMO-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)N1CCC(C(C)(C)C[NH2+]CCF)CC1)N(C)C ZINC001101550401 793226107 /nfs/dbraw/zinc/22/61/07/793226107.db2.gz HFZBWIJTGZOFFE-OAHLLOKOSA-N 1 3 315.477 2.151 20 0 DEADHO CCN1CC[C@H](NC2CC[NH+](C[C@H]3CC=CCC3)CC2)CC1=O ZINC001172045187 793306739 /nfs/dbraw/zinc/30/67/39/793306739.db2.gz ZTJLVWPNBMHULJ-WMZOPIPTSA-N 1 3 319.493 2.408 20 0 DEADHO COc1ccc([C@@H](CO)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC001172106987 793332244 /nfs/dbraw/zinc/33/22/44/793332244.db2.gz RHBZBIZQLDXIGT-KYHPRHEASA-N 1 3 304.434 2.334 20 0 DEADHO COc1cccc([C@@H](CO)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)c1 ZINC001172107407 793332458 /nfs/dbraw/zinc/33/24/58/793332458.db2.gz XBSICLFFAACZDH-XLMAVXFVSA-N 1 3 304.434 2.334 20 0 DEADHO CCc1nnc2ccc(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)N4C)cn21 ZINC001172112358 793333719 /nfs/dbraw/zinc/33/37/19/793333719.db2.gz VQZCHGBZLJNBOF-PHZGNYQRSA-N 1 3 313.449 2.397 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H](CO)Cc1ccc(F)cc1F)C2 ZINC001172114621 793334226 /nfs/dbraw/zinc/33/42/26/793334226.db2.gz RIYHTDKRAVGLSK-NXOAAHMSSA-N 1 3 324.415 2.473 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H](CO)Cc1ccc(F)cc1F)C2 ZINC001172114621 793334237 /nfs/dbraw/zinc/33/42/37/793334237.db2.gz RIYHTDKRAVGLSK-NXOAAHMSSA-N 1 3 324.415 2.473 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCCC[C@H]1C(=O)N1CCCC1)C2 ZINC001172123370 793344035 /nfs/dbraw/zinc/34/40/35/793344035.db2.gz FZUYTJAUUJGDFK-MLHJIOFPSA-N 1 3 319.493 2.479 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCCC[C@H]1C(=O)N1CCCC1)C2 ZINC001172123370 793344046 /nfs/dbraw/zinc/34/40/46/793344046.db2.gz FZUYTJAUUJGDFK-MLHJIOFPSA-N 1 3 319.493 2.479 20 0 DEADHO [NH3+]CCCCN1CCN([C@H]2CSc3ccccc3C2)CC1 ZINC001172200181 793376566 /nfs/dbraw/zinc/37/65/66/793376566.db2.gz HPOHPVQBBUFFRS-MRXNPFEDSA-N 1 3 305.491 2.060 20 0 DEADHO CC1(C)C[C@H]([NH2+]CC2CCN(Cc3cccnc3)CC2)CO1 ZINC001172278280 793386706 /nfs/dbraw/zinc/38/67/06/793386706.db2.gz GTBWXFHIUUPIPM-KRWDZBQOSA-N 1 3 303.450 2.451 20 0 DEADHO CC(C)N1CCN(CC[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172710822 793490923 /nfs/dbraw/zinc/49/09/23/793490923.db2.gz OCNSDDICAYMCKY-GOSISDBHSA-N 1 3 321.896 2.423 20 0 DEADHO CC(C)C[N@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCC2)[C@H](C)C1 ZINC001102213541 793531932 /nfs/dbraw/zinc/53/19/32/793531932.db2.gz KGXYYJOBYRMVJV-HZPDHXFCSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCC2)[C@H](C)C1 ZINC001102213541 793531936 /nfs/dbraw/zinc/53/19/36/793531936.db2.gz KGXYYJOBYRMVJV-HZPDHXFCSA-N 1 3 309.498 2.201 20 0 DEADHO CC[NH+](CC)C1CCC(N[C@@H](C(N)=O)c2ccccc2)CC1 ZINC001173110855 793580442 /nfs/dbraw/zinc/58/04/42/793580442.db2.gz SXMBZTNRDLUORU-OFLPRAFFSA-N 1 3 303.450 2.456 20 0 DEADHO COc1cccc2c1C[C@H](N1CCC(C[NH+](C)C)CC1)CO2 ZINC001173161761 793613187 /nfs/dbraw/zinc/61/31/87/793613187.db2.gz RDERXRNPQCDLPL-HNNXBMFYSA-N 1 3 304.434 2.272 20 0 DEADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C ZINC001102475325 793625347 /nfs/dbraw/zinc/62/53/47/793625347.db2.gz IXPWBWFWVNQNNM-HZPDHXFCSA-N 1 3 311.514 2.449 20 0 DEADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C ZINC001102475325 793625350 /nfs/dbraw/zinc/62/53/50/793625350.db2.gz IXPWBWFWVNQNNM-HZPDHXFCSA-N 1 3 311.514 2.449 20 0 DEADHO Cc1oncc1C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C(C)C ZINC001176753221 794496472 /nfs/dbraw/zinc/49/64/72/794496472.db2.gz CXXUCBAUWRRNSF-CQSZACIVSA-N 1 3 324.469 2.088 20 0 DEADHO CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C1CCC1)C2 ZINC001112399441 794622854 /nfs/dbraw/zinc/62/28/54/794622854.db2.gz UKTYKNNJSZBXHO-YJBOKZPZSA-N 1 3 307.482 2.099 20 0 DEADHO CCCN(C)CC(=O)N(CCC[NH2+]CCF)CC1CCCC1 ZINC001177467002 794672870 /nfs/dbraw/zinc/67/28/70/794672870.db2.gz PMKRRAAHVUOXLW-UHFFFAOYSA-N 1 3 315.477 2.296 20 0 DEADHO Cc1cc(CNCCC[NH+]2CCC(O)CC2)cc2cccnc12 ZINC001177479287 794689567 /nfs/dbraw/zinc/68/95/67/794689567.db2.gz NDTUCSAYNCXKLW-UHFFFAOYSA-N 1 3 313.445 2.480 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]Cc2cn(C)nc2CC)[C@H](C)C1 ZINC001177844637 794762738 /nfs/dbraw/zinc/76/27/38/794762738.db2.gz SIQRDXIHJUFGAP-QAPCUYQASA-N 1 3 322.497 2.209 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC1([NH2+]CCCF)CCCCC1 ZINC001115601643 794836168 /nfs/dbraw/zinc/83/61/68/794836168.db2.gz LLIQREYHBLAMMF-UHFFFAOYSA-N 1 3 315.477 2.485 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]CC[C@@H](C)F)CCCCC1)N(C)C ZINC001115734311 794900486 /nfs/dbraw/zinc/90/04/86/794900486.db2.gz HYKRYQFQZAGUIM-CABCVRRESA-N 1 3 315.477 2.483 20 0 DEADHO CN(C)[C@@H](C(=O)NCCCCCC[NH2+]C/C=C\Cl)C1CC1 ZINC001178698843 794980605 /nfs/dbraw/zinc/98/06/05/794980605.db2.gz WMTSAUXDVAMRJX-YYRKOSNBSA-N 1 3 315.889 2.345 20 0 DEADHO CC[C@H](C(=O)NCCCCCC[NH2+]C[C@@H](F)CC)N(C)C ZINC001178815680 795013396 /nfs/dbraw/zinc/01/33/96/795013396.db2.gz JVAYRYUFRZSVEF-LSDHHAIUSA-N 1 3 303.466 2.341 20 0 DEADHO C[C@H]1[C@@H](NCC=C(Cl)Cl)CCN1C(=O)CCC[NH+](C)C ZINC001179439433 795113513 /nfs/dbraw/zinc/11/35/13/795113513.db2.gz PDINXIPXOJLTPV-RYUDHWBXSA-N 1 3 322.280 2.226 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CC2CCC2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001179549919 795136028 /nfs/dbraw/zinc/13/60/28/795136028.db2.gz MLDUKWYYNNYHDU-HOCLYGCPSA-N 1 3 309.498 2.343 20 0 DEADHO CN(CC(=O)NCCCCCC[NH2+]CCF)CC(C)(C)C ZINC001179593197 795140299 /nfs/dbraw/zinc/14/02/99/795140299.db2.gz ZOAMRAFNUMKMLS-UHFFFAOYSA-N 1 3 303.466 2.200 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)Cc1c[nH]cn1 ZINC001179618075 795145537 /nfs/dbraw/zinc/14/55/37/795145537.db2.gz ZQZYVIRQWXZFBO-ZFWWWQNUSA-N 1 3 306.454 2.358 20 0 DEADHO C[C@H](F)CC[NH2+]CCCCCCNC(=O)CN1CCC[C@H]1C ZINC001179580783 795145554 /nfs/dbraw/zinc/14/55/54/795145554.db2.gz PQUMVUQZFJPNLU-JKSUJKDBSA-N 1 3 315.477 2.485 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCCCCC[NH2+]C/C=C\Cl)C1 ZINC001179585770 795145880 /nfs/dbraw/zinc/14/58/80/795145880.db2.gz LCCBDLSXZUXBNQ-DDJMYBDESA-N 1 3 315.889 2.347 20 0 DEADHO CCCCCC[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001206412127 795241845 /nfs/dbraw/zinc/24/18/45/795241845.db2.gz ZZYCXPPWLUOQTQ-UHFFFAOYSA-N 1 3 306.454 2.361 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccsc2)[C@@H]1C ZINC001180226980 795259759 /nfs/dbraw/zinc/25/97/59/795259759.db2.gz WOYHSCKYXAINTN-ZFWWWQNUSA-N 1 3 309.479 2.167 20 0 DEADHO Cc1oncc1C[NH2+]CCCCCCNC(=O)CN(C)C(C)C ZINC001180369534 795292750 /nfs/dbraw/zinc/29/27/50/795292750.db2.gz KPBGYVKEBKUXHS-UHFFFAOYSA-N 1 3 324.469 2.089 20 0 DEADHO C[C@@H](C(=O)N(C)CCN(C)Cc1ccccc1)[NH+]1CCCC1 ZINC001180578779 795324345 /nfs/dbraw/zinc/32/43/45/795324345.db2.gz KKRSFCGHUKZAPU-INIZCTEOSA-N 1 3 303.450 2.061 20 0 DEADHO CC(C)CC[NH2+]C1CC2(CC(NC(=O)CN(C)C(C)C)C2)C1 ZINC001122242806 795739315 /nfs/dbraw/zinc/73/93/15/795739315.db2.gz QHZRAXGOKXFRHV-UHFFFAOYSA-N 1 3 309.498 2.390 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)NC[C@H]2CCCCC[NH2+]2)cc(Cl)n1 ZINC001122390392 795753996 /nfs/dbraw/zinc/75/39/96/795753996.db2.gz ASALXILAONUQOB-KGLIPLIRSA-N 1 3 324.856 2.082 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC2CC2)C1 ZINC001183228576 795828577 /nfs/dbraw/zinc/82/85/77/795828577.db2.gz LPOGJCBCNYIKPD-CRAIPNDOSA-N 1 3 309.498 2.203 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC(C)C)C1 ZINC001183240314 795836656 /nfs/dbraw/zinc/83/66/56/795836656.db2.gz ZGPXHODBWXXGOY-SJLPKXTDSA-N 1 3 311.514 2.449 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H](C[NH2+]CCC2CC2)[C@@H](C)C1 ZINC001185348810 796236166 /nfs/dbraw/zinc/23/61/66/796236166.db2.gz SKXKBQHQFLPWGH-DOTOQJQBSA-N 1 3 309.498 2.203 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2C)C1 ZINC001186451517 796403187 /nfs/dbraw/zinc/40/31/87/796403187.db2.gz HCPHZBUFKVTWMS-QGZVFWFLSA-N 1 3 321.440 2.166 20 0 DEADHO CCN(CC)CC(=O)N1CCC([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001203009968 796487789 /nfs/dbraw/zinc/48/77/89/796487789.db2.gz CYFLHPTXSGRKNQ-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(CC)c2)C1 ZINC001187291408 796514784 /nfs/dbraw/zinc/51/47/84/796514784.db2.gz RDOCJNRSSGMBIO-GOSISDBHSA-N 1 3 317.477 2.281 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cc(C)ccc1C ZINC001152446340 797188937 /nfs/dbraw/zinc/18/89/37/797188937.db2.gz XWXZSTXSLMAHIC-GOSISDBHSA-N 1 3 317.477 2.384 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cccc(Cl)c1 ZINC001152451725 797190119 /nfs/dbraw/zinc/19/01/19/797190119.db2.gz FLYQWZOUQIYTHA-INIZCTEOSA-N 1 3 323.868 2.420 20 0 DEADHO Cc1ccc(F)cc1CN(C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192143552 797333393 /nfs/dbraw/zinc/33/33/93/797333393.db2.gz OXFLXLGUYZOTFF-QGZVFWFLSA-N 1 3 321.440 2.119 20 0 DEADHO CC(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001192386889 797377686 /nfs/dbraw/zinc/37/76/86/797377686.db2.gz SQUFQVZVJSLMHN-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001192386889 797377692 /nfs/dbraw/zinc/37/76/92/797377692.db2.gz SQUFQVZVJSLMHN-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC1CCC1 ZINC001153721038 797380918 /nfs/dbraw/zinc/38/09/18/797380918.db2.gz RSHIEBLAISFACX-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC1CCC1 ZINC001153721038 797380922 /nfs/dbraw/zinc/38/09/22/797380922.db2.gz RSHIEBLAISFACX-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CN(CC(=O)N1CC[C@H]([N@H+](C)CC2CCC2)C1)CC(C)(C)C ZINC001192406293 797387245 /nfs/dbraw/zinc/38/72/45/797387245.db2.gz FHCUBKJPBYFNBX-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CN(CC(=O)N1CC[C@H]([N@@H+](C)CC2CCC2)C1)CC(C)(C)C ZINC001192406293 797387253 /nfs/dbraw/zinc/38/72/53/797387253.db2.gz FHCUBKJPBYFNBX-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CCN(Cc1ccsc1)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001153824094 797404749 /nfs/dbraw/zinc/40/47/49/797404749.db2.gz KJSSXJRJJYCECJ-CJNGLKHVSA-N 1 3 323.506 2.415 20 0 DEADHO CC[N@H+](CC1CCCC1)[C@H](C)CNC(=O)[C@H](C1CC1)N(C)C ZINC001153824042 797404860 /nfs/dbraw/zinc/40/48/60/797404860.db2.gz IIXABNZKAQYAHM-PBHICJAKSA-N 1 3 309.498 2.343 20 0 DEADHO CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)[C@H](C1CC1)N(C)C ZINC001153824042 797404864 /nfs/dbraw/zinc/40/48/64/797404864.db2.gz IIXABNZKAQYAHM-PBHICJAKSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(F)cc1)N(C)C ZINC001153998153 797440001 /nfs/dbraw/zinc/44/00/01/797440001.db2.gz KZZKMFNPKBXRFH-RHSMWYFYSA-N 1 3 323.456 2.493 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(F)cc1)N(C)C ZINC001153998153 797440002 /nfs/dbraw/zinc/44/00/02/797440002.db2.gz KZZKMFNPKBXRFH-RHSMWYFYSA-N 1 3 323.456 2.493 20 0 DEADHO CC(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193028111 797492206 /nfs/dbraw/zinc/49/22/06/797492206.db2.gz SIYAVOAHNVIIRF-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193028111 797492208 /nfs/dbraw/zinc/49/22/08/797492208.db2.gz SIYAVOAHNVIIRF-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N(C)Cc2csc(C)c2)C1 ZINC001193289864 797539884 /nfs/dbraw/zinc/53/98/84/797539884.db2.gz ARZNJCKPYGLTAO-INIZCTEOSA-N 1 3 323.506 2.431 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)Cc2csc(C)c2)C1 ZINC001193289864 797539887 /nfs/dbraw/zinc/53/98/87/797539887.db2.gz ARZNJCKPYGLTAO-INIZCTEOSA-N 1 3 323.506 2.431 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)CCCCCF)C1 ZINC001193639590 797598737 /nfs/dbraw/zinc/59/87/37/797598737.db2.gz BTSBRAKPFYGSTB-OAHLLOKOSA-N 1 3 301.450 2.001 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCCCCF)C1 ZINC001193639590 797598738 /nfs/dbraw/zinc/59/87/38/797598738.db2.gz BTSBRAKPFYGSTB-OAHLLOKOSA-N 1 3 301.450 2.001 20 0 DEADHO CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194041645 797668871 /nfs/dbraw/zinc/66/88/71/797668871.db2.gz YAOKHGSWYFUKDR-FUTAKVPZSA-N 1 3 307.482 2.361 20 0 DEADHO CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194041645 797668874 /nfs/dbraw/zinc/66/88/74/797668874.db2.gz YAOKHGSWYFUKDR-FUTAKVPZSA-N 1 3 307.482 2.361 20 0 DEADHO Clc1cc(-n2cncc2C2CC[NH2+]CC2)c2c(n1)CNCC2 ZINC001155064125 797673994 /nfs/dbraw/zinc/67/39/94/797673994.db2.gz MSAKIPUBXBEUOV-UHFFFAOYSA-N 1 3 317.824 2.033 20 0 DEADHO CC[N@H+](CCCF)[C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001155263136 797720708 /nfs/dbraw/zinc/72/07/08/797720708.db2.gz LMMHZFKASQHXRF-CQSZACIVSA-N 1 3 303.466 2.151 20 0 DEADHO CC[N@@H+](CCCF)[C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001155263136 797720710 /nfs/dbraw/zinc/72/07/10/797720710.db2.gz LMMHZFKASQHXRF-CQSZACIVSA-N 1 3 303.466 2.151 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[N@H+](CCCCCF)CC1 ZINC001197150475 798155168 /nfs/dbraw/zinc/15/51/68/798155168.db2.gz OQFFEFQMCHDFPM-MRXNPFEDSA-N 1 3 313.461 2.145 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[N@@H+](CCCCCF)CC1 ZINC001197150475 798155171 /nfs/dbraw/zinc/15/51/71/798155171.db2.gz OQFFEFQMCHDFPM-MRXNPFEDSA-N 1 3 313.461 2.145 20 0 DEADHO CCC[N@H+]1C[C@H]2CN(c3ccc(CN(C)C4CC4)cn3)C[C@H]2C1 ZINC001157700098 798261524 /nfs/dbraw/zinc/26/15/24/798261524.db2.gz NXCMIVCXKWHLNN-CALCHBBNSA-N 1 3 314.477 2.454 20 0 DEADHO CCC[N@@H+]1C[C@H]2CN(c3ccc(CN(C)C4CC4)cn3)C[C@H]2C1 ZINC001157700098 798261529 /nfs/dbraw/zinc/26/15/29/798261529.db2.gz NXCMIVCXKWHLNN-CALCHBBNSA-N 1 3 314.477 2.454 20 0 DEADHO CC(C)N(C)CC(=O)NCC[NH2+][C@@H]1CCCc2ccccc21 ZINC001152432157 798312081 /nfs/dbraw/zinc/31/20/81/798312081.db2.gz HTOHZWDDQGSOBZ-QGZVFWFLSA-N 1 3 303.450 2.110 20 0 DEADHO CC(C)[C@@H](C(=O)NCCNCc1cccc(F)c1)[NH+]1CCCC1 ZINC001152464321 798353960 /nfs/dbraw/zinc/35/39/60/798353960.db2.gz KNXXIJJBOIFXDX-KRWDZBQOSA-N 1 3 321.440 2.152 20 0 DEADHO Cc1cnc(Cl)c(N(C2CC[NH2+]CC2)C2CCN(C)CC2)n1 ZINC001158580697 798433019 /nfs/dbraw/zinc/43/30/19/798433019.db2.gz JWHPCFSUHFAWIZ-UHFFFAOYSA-N 1 3 323.872 2.091 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC[C@H](C)F ZINC001158786862 798469973 /nfs/dbraw/zinc/46/99/73/798469973.db2.gz IXJGFQLAUSGIHL-JKSUJKDBSA-N 1 3 315.477 2.389 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC[C@H](C)F ZINC001158786862 798469976 /nfs/dbraw/zinc/46/99/76/798469976.db2.gz IXJGFQLAUSGIHL-JKSUJKDBSA-N 1 3 315.477 2.389 20 0 DEADHO CC[N@@H+]1CCCC[C@@H]1c1ccc(N[C@@H](C)[C@@H]2CNCCO2)nc1 ZINC001159502918 798574926 /nfs/dbraw/zinc/57/49/26/798574926.db2.gz QQQDNTOCRKJIHD-UAGQMJEPSA-N 1 3 318.465 2.417 20 0 DEADHO CC[N@H+]1CCCC[C@@H]1c1ccc(N[C@@H](C)[C@@H]2CNCCO2)nc1 ZINC001159502918 798574930 /nfs/dbraw/zinc/57/49/30/798574930.db2.gz QQQDNTOCRKJIHD-UAGQMJEPSA-N 1 3 318.465 2.417 20 0 DEADHO Cc1ccc(F)c(C[NH2+]CCCNC(=O)C2(N(C)C)CCC2)c1 ZINC001159854728 798618638 /nfs/dbraw/zinc/61/86/38/798618638.db2.gz RTADLCSKOMMSGH-UHFFFAOYSA-N 1 3 321.440 2.214 20 0 DEADHO C[C@H]([NH2+]CCCNC(=O)C1(N(C)C)CCC1)c1ccc(F)cc1 ZINC001159861852 798619581 /nfs/dbraw/zinc/61/95/81/798619581.db2.gz SHUCJXJLJQSZDB-AWEZNQCLSA-N 1 3 321.440 2.467 20 0 DEADHO CN(C)[C@H](C(=O)NCCC[NH2+]C/C=C/c1ccccc1)C1CC1 ZINC001159914165 798624622 /nfs/dbraw/zinc/62/46/22/798624622.db2.gz AVQPECPHIFDHFJ-OPUMOTSWSA-N 1 3 315.461 2.136 20 0 DEADHO CCc1ccccc1C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159997679 798638348 /nfs/dbraw/zinc/63/83/48/798638348.db2.gz XWMJKPVKEZZQJD-UHFFFAOYSA-N 1 3 317.477 2.329 20 0 DEADHO NCc1cnccc1N(c1c(N)cccc1F)C1CC[NH2+]CC1 ZINC001160046876 798642517 /nfs/dbraw/zinc/64/25/17/798642517.db2.gz LNLHLLQVXBYMCI-UHFFFAOYSA-N 1 3 315.396 2.152 20 0 DEADHO CC(C)C[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001160367640 798680001 /nfs/dbraw/zinc/68/00/01/798680001.db2.gz QNYMUBNWMHTMED-KRWDZBQOSA-N 1 3 307.482 2.121 20 0 DEADHO CC(C)C[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001160367640 798680004 /nfs/dbraw/zinc/68/00/04/798680004.db2.gz QNYMUBNWMHTMED-KRWDZBQOSA-N 1 3 307.482 2.121 20 0 DEADHO CCC(CC)C[NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001201066273 798707758 /nfs/dbraw/zinc/70/77/58/798707758.db2.gz JLQHFTLQJYKFOD-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO COc1ccc([C@@H](C)N(C)C(=O)[C@@H](N)CCCC[NH+](C)C)cc1 ZINC001160685942 798723028 /nfs/dbraw/zinc/72/30/28/798723028.db2.gz KGKACYNLQJFGNE-PBHICJAKSA-N 1 3 321.465 2.274 20 0 DEADHO CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@H]1CCC[C@@H](c2ccccc2)N1 ZINC001160698479 798724888 /nfs/dbraw/zinc/72/48/88/798724888.db2.gz KPQRWPLTPQCOPD-BPQIPLTHSA-N 1 3 315.461 2.328 20 0 DEADHO CCc1ccccc1C[NH2+]CCCNC(=O)[C@@H](CC)N(C)C ZINC001160883442 798755145 /nfs/dbraw/zinc/75/51/45/798755145.db2.gz NFUXUUMQRFEBNO-QGZVFWFLSA-N 1 3 305.466 2.185 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+][C@H](C)c1ccccc1F)N(C)C ZINC001160889984 798756019 /nfs/dbraw/zinc/75/60/19/798756019.db2.gz RUIFZXQUBWBBLP-CZUORRHYSA-N 1 3 309.429 2.323 20 0 DEADHO CN(CCN(C)C(=O)C[C@@H]([NH3+])C(C)(C)C)Cc1ccccc1 ZINC001161161739 798803840 /nfs/dbraw/zinc/80/38/40/798803840.db2.gz ZGNSUHLEQRCXPG-MRXNPFEDSA-N 1 3 305.466 2.340 20 0 DEADHO C[C@@H](C(=O)N(Cc1ccccc1)C1CC[NH2+]CC1)N1CCCC1 ZINC001161424826 798853243 /nfs/dbraw/zinc/85/32/43/798853243.db2.gz NWJNUEAQMRDFPZ-INIZCTEOSA-N 1 3 315.461 2.252 20 0 DEADHO CCC(CC)C[NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001202495225 798979611 /nfs/dbraw/zinc/97/96/11/798979611.db2.gz AGFWDITZUGBMKY-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)[C@H]3CCCN3CCC)[C@@H]2C1 ZINC001114369040 799072161 /nfs/dbraw/zinc/07/21/61/799072161.db2.gz YBWMYRCOVSWMHO-VVASQPKJSA-N 1 3 319.493 2.264 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)[C@H]3CCCN3CCC)[C@@H]2C1 ZINC001114369040 799072168 /nfs/dbraw/zinc/07/21/68/799072168.db2.gz YBWMYRCOVSWMHO-VVASQPKJSA-N 1 3 319.493 2.264 20 0 DEADHO CN1CCN(c2ccc(NC[C@@]3(F)CCCC[NH2+]C3)cc2)CC1 ZINC001162582638 799124223 /nfs/dbraw/zinc/12/42/23/799124223.db2.gz FGNMPNORRVJSSE-GOSISDBHSA-N 1 3 320.456 2.332 20 0 DEADHO CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](CC)N(C)C ZINC001162935503 799203672 /nfs/dbraw/zinc/20/36/72/799203672.db2.gz YSKRZBNBCPPCRS-KRWDZBQOSA-N 1 3 305.466 2.007 20 0 DEADHO CC[NH+](CC)CCNC(=N)Nc1nc(SC)cnc1Cl ZINC001163129439 799254202 /nfs/dbraw/zinc/25/42/02/799254202.db2.gz XZHCJICVGIQESN-UHFFFAOYSA-N 1 3 316.862 2.130 20 0 DEADHO Cc1cc(CN)nn1-c1ccc2c(c1)ncn2[C@H]1CCC[NH2+]CC1 ZINC001163984956 799472893 /nfs/dbraw/zinc/47/28/93/799472893.db2.gz GBJCPDRWDWUTPA-HNNXBMFYSA-N 1 3 324.432 2.304 20 0 DEADHO Cc1cc2cc(NCC3(N(C)C)CC[NH+](C)CC3)ncc2[nH]1 ZINC001164211523 799539090 /nfs/dbraw/zinc/53/90/90/799539090.db2.gz PMPLRPJTMFIWRJ-UHFFFAOYSA-N 1 3 301.438 2.309 20 0 DEADHO C[C@@]1(C[NH3+])CCCN(c2cc(Cl)nc3c2CCNC3)CC1 ZINC001164247761 799553342 /nfs/dbraw/zinc/55/33/42/799553342.db2.gz LGHNMFOQYZVLOH-MRXNPFEDSA-N 1 3 308.857 2.336 20 0 DEADHO CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001095417418 799586588 /nfs/dbraw/zinc/58/65/88/799586588.db2.gz QKNFWQNABHJVCP-RANZSIQMSA-N 1 3 319.493 2.382 20 0 DEADHO CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001095417418 799586593 /nfs/dbraw/zinc/58/65/93/799586593.db2.gz QKNFWQNABHJVCP-RANZSIQMSA-N 1 3 319.493 2.382 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(C)C ZINC001095667914 799687958 /nfs/dbraw/zinc/68/79/58/799687958.db2.gz CNLHJVIXMKLPCD-OWSLCNJRSA-N 1 3 321.509 2.484 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(C)C ZINC001095667914 799687966 /nfs/dbraw/zinc/68/79/66/799687966.db2.gz CNLHJVIXMKLPCD-OWSLCNJRSA-N 1 3 321.509 2.484 20 0 DEADHO CC[C@@H](F)C[NH2+]CC1(CCNC(=O)C(C)(C)N(C)CC)CC1 ZINC001165809529 799777279 /nfs/dbraw/zinc/77/72/79/799777279.db2.gz JHHRCTHUHJRGLW-CQSZACIVSA-N 1 3 315.477 2.341 20 0 DEADHO Cc1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+](C)C)C3)c1 ZINC001110976098 799805711 /nfs/dbraw/zinc/80/57/11/799805711.db2.gz BINIBMLEYBMKNL-KURKYZTESA-N 1 3 315.461 2.168 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]Cc1ccccc1Cl ZINC001166627057 799904814 /nfs/dbraw/zinc/90/48/14/799904814.db2.gz OVZUBSYORRUBRF-CQSZACIVSA-N 1 3 323.868 2.420 20 0 DEADHO CC[C@@H](F)C[NH2+]CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001166687569 799921726 /nfs/dbraw/zinc/92/17/26/799921726.db2.gz WZXAGSMSOXNRSN-CZUORRHYSA-N 1 3 319.440 2.043 20 0 DEADHO CCCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203659245 800100610 /nfs/dbraw/zinc/10/06/10/800100610.db2.gz HFBLXGNEFATTKN-LSDHHAIUSA-N 1 3 304.438 2.078 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203709749 800110069 /nfs/dbraw/zinc/11/00/69/800110069.db2.gz YIGLFLGORYNONJ-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO Fc1ccc(CN2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC001204646166 800242753 /nfs/dbraw/zinc/24/27/53/800242753.db2.gz KLCVLZMDKYMVFC-INIZCTEOSA-N 1 3 305.441 2.333 20 0 DEADHO C[C@H]1CCN(Cc2cnn3ccc(Cl)nc23)CC[C@H]1C[NH3+] ZINC001205651955 800393568 /nfs/dbraw/zinc/39/35/68/800393568.db2.gz MNBJXQCGWFWHFG-RYUDHWBXSA-N 1 3 307.829 2.190 20 0 DEADHO COc1cc(C)c(C[N@@H+]2CCCC[C@@](O)(CN)C2)c(C)c1C ZINC001205672303 800398006 /nfs/dbraw/zinc/39/80/06/800398006.db2.gz IMVFYKOWCQZXLG-GOSISDBHSA-N 1 3 306.450 2.296 20 0 DEADHO COc1cc(C)c(C[N@H+]2CCCC[C@@](O)(CN)C2)c(C)c1C ZINC001205672303 800398011 /nfs/dbraw/zinc/39/80/11/800398011.db2.gz IMVFYKOWCQZXLG-GOSISDBHSA-N 1 3 306.450 2.296 20 0 DEADHO NC[C@]1(O)CCCC[N@H+](Cc2ccccc2C2CCOCC2)C1 ZINC001205726561 800409495 /nfs/dbraw/zinc/40/94/95/800409495.db2.gz UWZFUDKQKJZTCH-LJQANCHMSA-N 1 3 318.461 2.256 20 0 DEADHO NC[C@]1(O)CCCC[N@@H+](Cc2ccccc2C2CCOCC2)C1 ZINC001205726561 800409499 /nfs/dbraw/zinc/40/94/99/800409499.db2.gz UWZFUDKQKJZTCH-LJQANCHMSA-N 1 3 318.461 2.256 20 0 DEADHO [NH3+]C[C@]1(O)CCCCN(Cc2ccccc2C2CCOCC2)C1 ZINC001205726561 800409506 /nfs/dbraw/zinc/40/95/06/800409506.db2.gz UWZFUDKQKJZTCH-LJQANCHMSA-N 1 3 318.461 2.256 20 0 DEADHO C[C@H]1CN(Cc2cn(C)nc2C(F)(F)F)CCC[C@@H]1C[NH3+] ZINC001206011166 800458363 /nfs/dbraw/zinc/45/83/63/800458363.db2.gz AJJHFDUCSOXULD-WDEREUQCSA-N 1 3 304.360 2.246 20 0 DEADHO C[C@H]1CN(Cc2cnnn2Cc2ccccc2)CCC[C@@H]1C[NH3+] ZINC001206024313 800460727 /nfs/dbraw/zinc/46/07/27/800460727.db2.gz IKIURTFWLNVWGE-DOTOQJQBSA-N 1 3 313.449 2.133 20 0 DEADHO [NH3+][C@H]1CCN(Cc2ccc(-c3cnccn3)cc2)CC[C@H]1F ZINC001206176326 800485471 /nfs/dbraw/zinc/48/54/71/800485471.db2.gz ZFQXXGXADALLMF-CVEARBPZSA-N 1 3 300.381 2.405 20 0 DEADHO CCCCCC[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001206928806 800631345 /nfs/dbraw/zinc/63/13/45/800631345.db2.gz JOCRHAXOMKLWMF-UHFFFAOYSA-N 1 3 309.498 2.491 20 0 DEADHO C[NH+](C)CCN1CCN(CCCCc2ccccc2)CCC1=O ZINC001207616748 800789899 /nfs/dbraw/zinc/78/98/99/800789899.db2.gz KQHQJGIBXQLVHV-UHFFFAOYSA-N 1 3 317.477 2.105 20 0 DEADHO CN(C)CCN1CC[N@H+](CCCCc2ccccc2)CCC1=O ZINC001207616748 800789903 /nfs/dbraw/zinc/78/99/03/800789903.db2.gz KQHQJGIBXQLVHV-UHFFFAOYSA-N 1 3 317.477 2.105 20 0 DEADHO CN(C)CCN1CC[N@@H+](CCCCc2ccccc2)CCC1=O ZINC001207616748 800789906 /nfs/dbraw/zinc/78/99/06/800789906.db2.gz KQHQJGIBXQLVHV-UHFFFAOYSA-N 1 3 317.477 2.105 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C)N(C)C ZINC001207652676 800799056 /nfs/dbraw/zinc/79/90/56/800799056.db2.gz GRVKNRWOPPWKOK-OAGGEKHMSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C)N(C)C ZINC001207652676 800799060 /nfs/dbraw/zinc/79/90/60/800799060.db2.gz GRVKNRWOPPWKOK-OAGGEKHMSA-N 1 3 311.514 2.445 20 0 DEADHO CC1(C)OC[C@H](C[NH+]2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)O1 ZINC001207931249 800866553 /nfs/dbraw/zinc/86/65/53/800866553.db2.gz XMJOEKDATAHBEE-BZSNNMDCSA-N 1 3 316.445 2.202 20 0 DEADHO CC1=C[C@H](C)[C@@H](C[N@H+]2CCC(=O)N(CCN(C)C)CC2)CC1 ZINC001208182828 800926027 /nfs/dbraw/zinc/92/60/27/800926027.db2.gz VMIGBBLKOBEENX-DLBZAZTESA-N 1 3 307.482 2.075 20 0 DEADHO CC1=C[C@H](C)[C@@H](C[N@@H+]2CCC(=O)N(CCN(C)C)CC2)CC1 ZINC001208182828 800926031 /nfs/dbraw/zinc/92/60/31/800926031.db2.gz VMIGBBLKOBEENX-DLBZAZTESA-N 1 3 307.482 2.075 20 0 DEADHO CN(C)CC1(C[N@@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)CCCC1 ZINC001208191726 800926625 /nfs/dbraw/zinc/92/66/25/800926625.db2.gz OHFZUBRDBHJJCM-RCCFBDPRSA-N 1 3 322.493 2.234 20 0 DEADHO CN(C)CC1(C[N@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)CCCC1 ZINC001208191726 800926628 /nfs/dbraw/zinc/92/66/28/800926628.db2.gz OHFZUBRDBHJJCM-RCCFBDPRSA-N 1 3 322.493 2.234 20 0 DEADHO COc1cccc(N2CC[NH+](C[C@@H]3CCCN(C)C3)CC2)c1 ZINC001208605143 801025899 /nfs/dbraw/zinc/02/58/99/801025899.db2.gz ZRVUBSKIIGSNBT-MRXNPFEDSA-N 1 3 303.450 2.159 20 0 DEADHO COc1ccc(CC[N@@H+]2CC[C@]3(CCN(C)C3)C2)cc1OC ZINC001208759997 801065202 /nfs/dbraw/zinc/06/52/02/801065202.db2.gz CTGUKEFXHIPXFW-SFHVURJKSA-N 1 3 304.434 2.274 20 0 DEADHO COc1ccc(CC[N@H+]2CC[C@]3(CCN(C)C3)C2)cc1OC ZINC001208759997 801065207 /nfs/dbraw/zinc/06/52/07/801065207.db2.gz CTGUKEFXHIPXFW-SFHVURJKSA-N 1 3 304.434 2.274 20 0 DEADHO C[C@@H](N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)c1ccccc1F ZINC001209446474 801192523 /nfs/dbraw/zinc/19/25/23/801192523.db2.gz RNYCKKUIFOSIKQ-HUUCEWRRSA-N 1 3 321.440 2.419 20 0 DEADHO Cc1n[nH]cc1CN1CCC(COCC[NH+]2CCCC2)CC1 ZINC001209555202 801215504 /nfs/dbraw/zinc/21/55/04/801215504.db2.gz WJMPKWHGEXSUML-UHFFFAOYSA-N 1 3 306.454 2.043 20 0 DEADHO CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001209640679 801243825 /nfs/dbraw/zinc/24/38/25/801243825.db2.gz CRRVWYDPZNDZMS-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CC1(C)CCN(CC(=O)N2CCC[C@H]([NH2+]C/C=C/Cl)C2)C1 ZINC001209660155 801248604 /nfs/dbraw/zinc/24/86/04/801248604.db2.gz NCQUBZSJLDYPRD-GBXSZLQWSA-N 1 3 313.873 2.051 20 0 DEADHO COCCN(Cc1cn(C)c2ncccc12)C1CC[NH+](C)CC1 ZINC001209748719 801273676 /nfs/dbraw/zinc/27/36/76/801273676.db2.gz MLPMOAQAPBCINV-UHFFFAOYSA-N 1 3 316.449 2.116 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\Cl)N(C)C ZINC001229746118 801313025 /nfs/dbraw/zinc/31/30/25/801313025.db2.gz HQTYRVLNPUSXFF-UYBQERCCSA-N 1 3 301.862 2.096 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(C)C1 ZINC001229868769 801330063 /nfs/dbraw/zinc/33/00/63/801330063.db2.gz NNBWWZPJHOMTGU-BHUNQDJPSA-N 1 3 309.498 2.391 20 0 DEADHO CC1CCN(CC(=O)N2CCC[C@@H]([NH2+]C/C=C\Cl)C2)CC1 ZINC001210282416 801368509 /nfs/dbraw/zinc/36/85/09/801368509.db2.gz GDMOTPUYLFQFRX-YFUKIHRRSA-N 1 3 313.873 2.051 20 0 DEADHO COc1ccc(-c2ccc(C[N@@H+]3CCNC[C@H](O)C3)cc2)cc1 ZINC001210398963 801391915 /nfs/dbraw/zinc/39/19/15/801391915.db2.gz IOLDIMXBEKJOAI-SFHVURJKSA-N 1 3 312.413 2.128 20 0 DEADHO COc1ccc(-c2ccc(C[N@H+]3CCNC[C@H](O)C3)cc2)cc1 ZINC001210398963 801391922 /nfs/dbraw/zinc/39/19/22/801391922.db2.gz IOLDIMXBEKJOAI-SFHVURJKSA-N 1 3 312.413 2.128 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC([C@H]2CCC[N@@H+]2CC)CC1 ZINC001230574755 801423414 /nfs/dbraw/zinc/42/34/14/801423414.db2.gz IFNIOBXIPSZSAI-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC([C@H]2CCC[N@H+]2CC)CC1 ZINC001230574755 801423417 /nfs/dbraw/zinc/42/34/17/801423417.db2.gz IFNIOBXIPSZSAI-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO F[C@@H]1CNCCN(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001210579943 801425319 /nfs/dbraw/zinc/42/53/19/801425319.db2.gz CQTCHHFBFTUZFJ-QZTJIDSGSA-N 1 3 305.441 2.284 20 0 DEADHO F[C@@H]1CNCCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001210579943 801425323 /nfs/dbraw/zinc/42/53/23/801425323.db2.gz CQTCHHFBFTUZFJ-QZTJIDSGSA-N 1 3 305.441 2.284 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001210782481 801462833 /nfs/dbraw/zinc/46/28/33/801462833.db2.gz MZEVGSDPEWCTJV-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001211284310 801542249 /nfs/dbraw/zinc/54/22/49/801542249.db2.gz LANZHRDYSASTQV-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)cs1 ZINC001211287087 801543563 /nfs/dbraw/zinc/54/35/63/801543563.db2.gz ZAEMWLYCYGBJOK-MRXNPFEDSA-N 1 3 323.506 2.477 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CCCCCF ZINC001214847930 801766162 /nfs/dbraw/zinc/76/61/62/801766162.db2.gz ZDPOQLHOLRSDFK-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO CC(=O)N1CCC[C@H](N(C)Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232150415 801801952 /nfs/dbraw/zinc/80/19/52/801801952.db2.gz VPLDXGFRQROSFQ-SFHVURJKSA-N 1 3 321.440 2.330 20 0 DEADHO CC(=O)Nc1ccc(CN2CC3(C2)CC[NH+](C)CC3)c(C)c1 ZINC001232187506 801810022 /nfs/dbraw/zinc/81/00/22/801810022.db2.gz KGXZSSRWGSXXFC-UHFFFAOYSA-N 1 3 301.434 2.481 20 0 DEADHO COc1ccc([C@H](O)C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000305075416 801825384 /nfs/dbraw/zinc/82/53/84/801825384.db2.gz NLLZTVRCJPARFI-GOSISDBHSA-N 1 3 304.434 2.193 20 0 DEADHO CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001215473466 801864703 /nfs/dbraw/zinc/86/47/03/801864703.db2.gz ATFYAQQVBOZSDL-LYHUAREISA-N 1 3 309.498 2.365 20 0 DEADHO CCC(CC)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001215540860 801872757 /nfs/dbraw/zinc/87/27/57/801872757.db2.gz SHACWUCPLZIOPD-ZMSDIMECSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@H]([NH3+])c1cccc(C(=O)Nc2cc([C@H]3CCCN3)no2)c1 ZINC001218711981 802229712 /nfs/dbraw/zinc/22/97/12/802229712.db2.gz GEJMBKDXMAGSSH-GXFFZTMASA-N 1 3 300.362 2.371 20 0 DEADHO NC1(C(=O)Nc2ccc3c(c2)CC[C@@H]([NH+]2CCCC2)CC3)CC1 ZINC001219487090 802337175 /nfs/dbraw/zinc/33/71/75/802337175.db2.gz YNRYZGNPVIBMAI-KRWDZBQOSA-N 1 3 313.445 2.460 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]2CCC[C@@H](c3ccccc3)N2)C1 ZINC001219649197 802358650 /nfs/dbraw/zinc/35/86/50/802358650.db2.gz GJUXVRPEXZKTOO-CIRFHOKZSA-N 1 3 315.461 2.232 20 0 DEADHO CC(C)C[C@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)c1ccccc1 ZINC001220030975 802404462 /nfs/dbraw/zinc/40/44/62/802404462.db2.gz PKYAGXVLMHEQCL-DLBZAZTESA-N 1 3 303.450 2.217 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@H]1CCC[C@H](c2ccccc2)N1 ZINC001220254685 802432669 /nfs/dbraw/zinc/43/26/69/802432669.db2.gz URWYODDJEYHVPP-KZNAEPCWSA-N 1 3 315.461 2.470 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCNC(=O)[C@H]1CCC[C@H](c2ccccc2)N1 ZINC001220254685 802432673 /nfs/dbraw/zinc/43/26/73/802432673.db2.gz URWYODDJEYHVPP-KZNAEPCWSA-N 1 3 315.461 2.470 20 0 DEADHO Cc1ccccc1CC(C)(C)CNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001221159209 802533483 /nfs/dbraw/zinc/53/34/83/802533483.db2.gz FSMUUMFEMCAEMV-QGZVFWFLSA-N 1 3 317.477 2.007 20 0 DEADHO Cc1cccc([C@@H](C)NC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)c1C ZINC001221312208 802553844 /nfs/dbraw/zinc/55/38/44/802553844.db2.gz YIOZXAGFRRVBCT-NVXWUHKLSA-N 1 3 315.461 2.355 20 0 DEADHO Cc1cccc([C@@H](C)NC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)c1C ZINC001221312208 802553850 /nfs/dbraw/zinc/55/38/50/802553850.db2.gz YIOZXAGFRRVBCT-NVXWUHKLSA-N 1 3 315.461 2.355 20 0 DEADHO CCCC(C[NH3+])(CCC)NC(=O)[C@@](C)(N)Cc1ccc(F)cc1 ZINC001221373253 802560877 /nfs/dbraw/zinc/56/08/77/802560877.db2.gz GJKZTUQWZGQGPY-KRWDZBQOSA-N 1 3 323.456 2.500 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC3CC(C)C3)C[C@H]21 ZINC001221656928 802602272 /nfs/dbraw/zinc/60/22/72/802602272.db2.gz AJAAQEMEDYGLMG-BHUNQDJPSA-N 1 3 321.509 2.296 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC3CC(C)C3)C[C@H]21 ZINC001221656928 802602275 /nfs/dbraw/zinc/60/22/75/802602275.db2.gz AJAAQEMEDYGLMG-BHUNQDJPSA-N 1 3 321.509 2.296 20 0 DEADHO Clc1ccc2[nH]c(CN3CCNC4(CC[NH2+]CC4)C3)cc2c1 ZINC001222090707 802640636 /nfs/dbraw/zinc/64/06/36/802640636.db2.gz GWRCQLQOFFLHOR-UHFFFAOYSA-N 1 3 318.852 2.349 20 0 DEADHO CC[C@H](C)C[NH+]1CCC(CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001225278147 802950305 /nfs/dbraw/zinc/95/03/05/802950305.db2.gz KUNCYOGIPXAKEG-ZDUSSCGKSA-N 1 3 306.454 2.135 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC(CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001225278146 802950710 /nfs/dbraw/zinc/95/07/10/802950710.db2.gz KUNCYOGIPXAKEG-CYBMUJFWSA-N 1 3 306.454 2.135 20 0 DEADHO CN(C)[C@H](C(=O)NC1CC[NH+](CC2CC(C)(C)C2)CC1)C1CC1 ZINC001227817836 803284215 /nfs/dbraw/zinc/28/42/15/803284215.db2.gz NHROJNNJBLQQKV-KRWDZBQOSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)NC1CC[NH+](CCCCCF)CC1)N(C)C ZINC001227900761 803293065 /nfs/dbraw/zinc/29/30/65/803293065.db2.gz YINORSWFUWYHEJ-INIZCTEOSA-N 1 3 315.477 2.293 20 0 DEADHO C[NH+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(C3CC3)cc2)C1 ZINC001370012711 1149345821 /nfs/dbraw/zinc/34/58/21/1149345821.db2.gz GAKMCWLSNSGLFK-SFHVURJKSA-N 1 3 315.461 2.206 20 0 DEADHO CCN1CCN(c2ccc(NC(=O)CC[NH2+]C(C)C)cc2)CC1 ZINC001328132395 1148727348 /nfs/dbraw/zinc/72/73/48/1148727348.db2.gz UNPXJUROSHWNNO-UHFFFAOYSA-N 1 3 318.465 2.155 20 0 DEADHO CC(C)(C)N1CC[C@H]1CNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC001575139569 1069377209 /nfs/dbraw/zinc/37/72/09/1069377209.db2.gz NFDXVWCIBNTTNW-HNNXBMFYSA-N 1 3 318.465 2.015 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)C1)N(C)C ZINC001368480451 1148461849 /nfs/dbraw/zinc/46/18/49/1148461849.db2.gz NMQIXHIWTKLJFX-XHSDSOJGSA-N 1 3 311.514 2.493 20 0 DEADHO C[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C1C[NH+](CC2CC2)C1 ZINC001369093915 1148847671 /nfs/dbraw/zinc/84/76/71/1148847671.db2.gz WFXRFMGVLACJNG-CABCVRRESA-N 1 3 307.482 2.097 20 0 DEADHO CC/C=C\CC[NH2+]CC1CC(NC(=O)CN2CC[C@H](C)C2)C1 ZINC001328915976 1148847523 /nfs/dbraw/zinc/84/75/23/1148847523.db2.gz UIACITNGSIWGSE-PWCOQUBGSA-N 1 3 307.482 2.169 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001454741092 1057557258 /nfs/dbraw/zinc/55/72/58/1057557258.db2.gz DOYRZEIQOYKPFP-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO Cc1ccccc1C[N@H+]1CC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001493267252 1057679601 /nfs/dbraw/zinc/67/96/01/1057679601.db2.gz OEKJPNLIEJRFAX-QGZVFWFLSA-N 1 3 317.477 2.273 20 0 DEADHO Cc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001493267252 1057679602 /nfs/dbraw/zinc/67/96/02/1057679602.db2.gz OEKJPNLIEJRFAX-QGZVFWFLSA-N 1 3 317.477 2.273 20 0 DEADHO COc1cc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)ccc1F ZINC001461342735 1058642658 /nfs/dbraw/zinc/64/26/58/1058642658.db2.gz DRUDAPDELIKFAW-IRXDYDNUSA-N 1 3 322.424 2.302 20 0 DEADHO C[C@@H]1CN(C[C@@H]2C[C@H]2c2cnn(C)c2)CCN1c1cc[nH+]cc1 ZINC001462547411 1058846571 /nfs/dbraw/zinc/84/65/71/1058846571.db2.gz GJXZANIBWPGYRZ-RVKKMQEKSA-N 1 3 311.433 2.129 20 0 DEADHO CCCN(CCN(C)C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001465398344 1059299634 /nfs/dbraw/zinc/29/96/34/1059299634.db2.gz UOCAXTJKBZEBEL-MSOLQXFVSA-N 1 3 317.477 2.132 20 0 DEADHO CCCN(CCN(C)C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001465398344 1059299650 /nfs/dbraw/zinc/29/96/50/1059299650.db2.gz UOCAXTJKBZEBEL-MSOLQXFVSA-N 1 3 317.477 2.132 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](CC[NH2+]CCCC2CCC2)C1 ZINC001501621867 1059580193 /nfs/dbraw/zinc/58/01/93/1059580193.db2.gz LBHFVKKLVHMLPU-MRXNPFEDSA-N 1 3 318.465 2.361 20 0 DEADHO CC[NH2+][C@@H](C)c1ccc(CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001501679957 1059629002 /nfs/dbraw/zinc/62/90/02/1059629002.db2.gz WFNAUKBVDSDRAN-CABCVRRESA-N 1 3 303.450 2.315 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCC2)CCC1 ZINC001501960837 1059813139 /nfs/dbraw/zinc/81/31/39/1059813139.db2.gz SLHIYYPDZLYBME-INIZCTEOSA-N 1 3 307.482 2.289 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CCC2CCCC2)CCC1 ZINC001502020612 1059876388 /nfs/dbraw/zinc/87/63/88/1059876388.db2.gz CADLHDXXGYJTTC-UHFFFAOYSA-N 1 3 318.465 2.469 20 0 DEADHO CCC(CC)[C@H](CNC(=O)N[C@H]1CCN(C)[C@@H]1C)[NH+]1CCCC1 ZINC001471393672 1060216297 /nfs/dbraw/zinc/21/62/97/1060216297.db2.gz BDBCKTXTORFADY-PVAVHDDUSA-N 1 3 324.513 2.279 20 0 DEADHO CCCC[N@H+](CC1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001474412669 1060865665 /nfs/dbraw/zinc/86/56/65/1060865665.db2.gz BLNLXTQJRAOFKE-INIZCTEOSA-N 1 3 316.511 2.008 20 0 DEADHO CCCC[N@@H+](CC1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001474412669 1060865671 /nfs/dbraw/zinc/86/56/71/1060865671.db2.gz BLNLXTQJRAOFKE-INIZCTEOSA-N 1 3 316.511 2.008 20 0 DEADHO CCOC(=O)COc1ccc(C[NH2+]CC[C@@H](C)N(C)C)cc1 ZINC001474648361 1060910473 /nfs/dbraw/zinc/91/04/73/1060910473.db2.gz BRILOKZLLVZTEO-CQSZACIVSA-N 1 3 308.422 2.058 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCN(C)[C@H]1C)CC(C)C ZINC001477435370 1061169575 /nfs/dbraw/zinc/16/95/75/1061169575.db2.gz DFDLFRBPELOMRA-HRCADAONSA-N 1 3 312.502 2.135 20 0 DEADHO C[C@H]1[C@@H](NC(=O)N(CC[NH+](C)C)CC2CCCCC2)CCN1C ZINC001479377114 1061426109 /nfs/dbraw/zinc/42/61/09/1061426109.db2.gz UFTGHMKVXXEIAS-RDJZCZTQSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)N(CC[NH+](C)C)CC2CCCCC2)CCN1C ZINC001479377116 1061426495 /nfs/dbraw/zinc/42/64/95/1061426495.db2.gz UFTGHMKVXXEIAS-WBVHZDCISA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2CCC[N@H+](CC3CC3)[C@@H]2C1(C)C ZINC001479614602 1061524251 /nfs/dbraw/zinc/52/42/51/1061524251.db2.gz RPWFFSWBSCBFQG-NXHRZFHOSA-N 1 3 321.509 2.342 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2CCC[N@@H+](CC3CC3)[C@@H]2C1(C)C ZINC001479614602 1061524268 /nfs/dbraw/zinc/52/42/68/1061524268.db2.gz RPWFFSWBSCBFQG-NXHRZFHOSA-N 1 3 321.509 2.342 20 0 DEADHO CC1CCN(CC(=O)NCCC[N@H+](C)Cc2ccsc2)CC1 ZINC001479804344 1061799364 /nfs/dbraw/zinc/79/93/64/1061799364.db2.gz SKLMNQOVGHKMOU-UHFFFAOYSA-N 1 3 323.506 2.418 20 0 DEADHO CC1CCN(CC(=O)NCCC[N@@H+](C)Cc2ccsc2)CC1 ZINC001479804344 1061799380 /nfs/dbraw/zinc/79/93/80/1061799380.db2.gz SKLMNQOVGHKMOU-UHFFFAOYSA-N 1 3 323.506 2.418 20 0 DEADHO CCCC[NH+]1CC([C@H](C)NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001506658099 1062247818 /nfs/dbraw/zinc/24/78/18/1062247818.db2.gz CZGWXUSEAOABMY-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C(C)(C)C1 ZINC001506754876 1062369922 /nfs/dbraw/zinc/36/99/22/1062369922.db2.gz YUJVIHDALOVZDH-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C(C)(C)C1 ZINC001506754876 1062369939 /nfs/dbraw/zinc/36/99/39/1062369939.db2.gz YUJVIHDALOVZDH-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CCCCC[NH2+]C[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001480296465 1062600199 /nfs/dbraw/zinc/60/01/99/1062600199.db2.gz XGALHKPTYLXARE-IAGOWNOFSA-N 1 3 309.498 2.347 20 0 DEADHO Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)CN2CC[C@H](C)C2)cs1 ZINC001507127364 1062882625 /nfs/dbraw/zinc/88/26/25/1062882625.db2.gz PFDYXCFUEWRASK-KBPBESRZSA-N 1 3 323.506 2.335 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CNC(=O)CN2CC[C@H](C)C2)c(C)c1 ZINC001480537896 1062999084 /nfs/dbraw/zinc/99/90/84/1062999084.db2.gz RAUHPNFAAXXNLF-RDJZCZTQSA-N 1 3 317.477 2.240 20 0 DEADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+]CCC2CCCCC2)C1 ZINC001480678998 1063178715 /nfs/dbraw/zinc/17/87/15/1063178715.db2.gz FJAGILZUULRZOK-SFHVURJKSA-N 1 3 321.509 2.491 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC001480813586 1063377137 /nfs/dbraw/zinc/37/71/37/1063377137.db2.gz IWCBQXYZFRUZKE-CRAIPNDOSA-N 1 3 317.477 2.499 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[C@H]1CCC[N@@H+]1CC1CC1 ZINC001480834234 1063426267 /nfs/dbraw/zinc/42/62/67/1063426267.db2.gz LPRPBCKZCUQIOA-HNNXBMFYSA-N 1 3 304.438 2.031 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[C@H]1CCC[N@H+]1CC1CC1 ZINC001480834234 1063426277 /nfs/dbraw/zinc/42/62/77/1063426277.db2.gz LPRPBCKZCUQIOA-HNNXBMFYSA-N 1 3 304.438 2.031 20 0 DEADHO C[C@@H](F)CC[NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C(C)(C)C ZINC001507952211 1063479825 /nfs/dbraw/zinc/47/98/25/1063479825.db2.gz PBDWQDGONQODLC-KGLIPLIRSA-N 1 3 315.477 2.339 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc(C)c(C)c1)N(C)C ZINC001493698648 1063923815 /nfs/dbraw/zinc/92/38/15/1063923815.db2.gz GCCCUUXMAIPUMX-KRWDZBQOSA-N 1 3 305.466 2.192 20 0 DEADHO CN(CC[NH2+]CC/C=C/c1ccccc1)C(=O)Cc1c[nH]cn1 ZINC001493709042 1063929063 /nfs/dbraw/zinc/92/90/63/1063929063.db2.gz MDHAUWRPTIYZJU-WEVVVXLNSA-N 1 3 312.417 2.104 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001493805976 1063969438 /nfs/dbraw/zinc/96/94/38/1063969438.db2.gz CPERAYXVVILZIR-AWEZNQCLSA-N 1 3 309.429 2.275 20 0 DEADHO CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001494773510 1064461088 /nfs/dbraw/zinc/46/10/88/1064461088.db2.gz SXESYCJZNGJLAP-BRWVUGGUSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)C[C@@H](C)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001494773510 1064461093 /nfs/dbraw/zinc/46/10/93/1064461093.db2.gz SXESYCJZNGJLAP-BRWVUGGUSA-N 1 3 311.514 2.445 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC(CC[NH2+]CCF)CC1 ZINC001568098393 1064645147 /nfs/dbraw/zinc/64/51/47/1064645147.db2.gz UKQNKGVAVTYPCN-INIZCTEOSA-N 1 3 313.461 2.049 20 0 DEADHO CC[C@H](C)C[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001568393921 1064834708 /nfs/dbraw/zinc/83/47/08/1064834708.db2.gz VYHOLLXKHHPDKB-HOCLYGCPSA-N 1 3 306.454 2.359 20 0 DEADHO CC(C)[NH2+]CC[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001495378337 1064870239 /nfs/dbraw/zinc/87/02/39/1064870239.db2.gz PISRMFSDCLVBMU-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)N1CCC(CC[NH2+]CC[C@@H](C)F)CC1)N(C)C ZINC001495430614 1064900637 /nfs/dbraw/zinc/90/06/37/1064900637.db2.gz UISNRXJQOJMKHO-ZBFHGGJFSA-N 1 3 315.477 2.293 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC/C=C/C[NH2+]CCCC(C)(C)C)C1 ZINC001568920614 1065191397 /nfs/dbraw/zinc/19/13/97/1065191397.db2.gz YPFGHIXCZNCFFL-SQRWCISFSA-N 1 3 309.498 2.417 20 0 DEADHO O=C(CN1CCCC1)NC/C=C/C[NH2+]CCC1CCCCC1 ZINC001568964327 1065215718 /nfs/dbraw/zinc/21/57/18/1065215718.db2.gz QZFHTMDJHBFGHA-SNAWJCMRSA-N 1 3 307.482 2.315 20 0 DEADHO CC(C)[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]CCF ZINC001496640126 1065612697 /nfs/dbraw/zinc/61/26/97/1065612697.db2.gz YOKQVSKRZFUADZ-MRXNPFEDSA-N 1 3 309.429 2.062 20 0 DEADHO CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001496865020 1065765059 /nfs/dbraw/zinc/76/50/59/1065765059.db2.gz VUZMQDJNSMWVJM-ZBFHGGJFSA-N 1 3 304.438 2.065 20 0 DEADHO CCCCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001496865020 1065765073 /nfs/dbraw/zinc/76/50/73/1065765073.db2.gz VUZMQDJNSMWVJM-ZBFHGGJFSA-N 1 3 304.438 2.065 20 0 DEADHO CC(C)CCC[NH2+]C1(C)CCN(C(=O)CN2CCCC2)CC1 ZINC001570385705 1066042403 /nfs/dbraw/zinc/04/24/03/1066042403.db2.gz LGXBJEDENFZVOB-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001497610035 1066188752 /nfs/dbraw/zinc/18/87/52/1066188752.db2.gz HTQVPSMDNSLLGP-JTGQJZMRSA-N 1 3 321.440 2.236 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1=CCCCC1 ZINC001497816436 1066341857 /nfs/dbraw/zinc/34/18/57/1066341857.db2.gz QWJUAHUINJHUCQ-WBVHZDCISA-N 1 3 307.482 2.454 20 0 DEADHO C[C@H](C[NH2+][C@@H](C)c1ccccc1F)NC(=O)CN(C)C1CCC1 ZINC001497828785 1066351043 /nfs/dbraw/zinc/35/10/43/1066351043.db2.gz AZZPGQQOMMNHPK-KGLIPLIRSA-N 1 3 321.440 2.465 20 0 DEADHO C[C@@H](CNC(=O)C[C@H]1CC[C@@H]([NH3+])C1)N(C)Cc1ccccc1 ZINC001576017404 1066476835 /nfs/dbraw/zinc/47/68/35/1066476835.db2.gz SPFSYWDSHQJZMV-BHYGNILZSA-N 1 3 303.450 2.141 20 0 DEADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCC[C@@H]1Sc2ccccc2NC1=O ZINC001576747449 1066678212 /nfs/dbraw/zinc/67/82/12/1066678212.db2.gz AGHGCQJZWUNVJF-AVRGHOLYSA-N 1 3 319.474 2.466 20 0 DEADHO C[C@H]1CN(CC2(C[NH3+])CC2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001576802098 1066693129 /nfs/dbraw/zinc/69/31/29/1066693129.db2.gz WCYIMRCILIXOLZ-KBPBESRZSA-N 1 3 311.470 2.208 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[N@H+](C)CC1CC(C)(C)C1 ZINC001498444232 1066709090 /nfs/dbraw/zinc/70/90/90/1066709090.db2.gz OHSGAIOVYIEOQE-GFCCVEGCSA-N 1 3 306.454 2.133 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[N@@H+](C)CC1CC(C)(C)C1 ZINC001498444232 1066709102 /nfs/dbraw/zinc/70/91/02/1066709102.db2.gz OHSGAIOVYIEOQE-GFCCVEGCSA-N 1 3 306.454 2.133 20 0 DEADHO CN(CCC[NH2+]CCCc1ccsc1)C(=O)[C@H]1CCCN1C ZINC001498526343 1066762544 /nfs/dbraw/zinc/76/25/44/1066762544.db2.gz QENDURKFMLWLPY-MRXNPFEDSA-N 1 3 323.506 2.213 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)C[NH2+]CC(C)C)c1ccsc1 ZINC001577681418 1066903280 /nfs/dbraw/zinc/90/32/80/1066903280.db2.gz UVUDJZMAUKGYAE-HNNXBMFYSA-N 1 3 311.495 2.493 20 0 DEADHO CC[NH+](CC)CC[C@H](C)NC(=O)C[C@H]1NCc2ccccc21 ZINC001577687480 1066904663 /nfs/dbraw/zinc/90/46/63/1066904663.db2.gz ICFCUESZJRAJMO-WMLDXEAASA-N 1 3 303.450 2.458 20 0 DEADHO CC[NH+](CC)Cc1ccc(C(=O)N2CCN[C@@H](C)[C@@H]2C)cc1 ZINC001577693231 1066907260 /nfs/dbraw/zinc/90/72/60/1066907260.db2.gz PHWTZNBSNRIRAN-GJZGRUSLSA-N 1 3 303.450 2.351 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H](C[NH2+]CC2CC2)C2CC2)c1 ZINC001498874276 1066933282 /nfs/dbraw/zinc/93/32/82/1066933282.db2.gz KBEGYSWLXNMTNJ-GOSISDBHSA-N 1 3 315.461 2.256 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001266988141 1078483727 /nfs/dbraw/zinc/48/37/27/1078483727.db2.gz FEMVICLPVMRPAA-LBPRGKRZSA-N 1 3 317.886 2.290 20 0 DEADHO COC(=O)C1=C(C)O[C@H](CN2CCCC[C@H]2[C@H]2CCC[NH2+]C2)C1 ZINC001578783460 1067170843 /nfs/dbraw/zinc/17/08/43/1067170843.db2.gz MVERQIXWPJTANM-ZOBUZTSGSA-N 1 3 322.449 2.076 20 0 DEADHO COC(=O)C1=C(C)O[C@H](CN2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)C1 ZINC001578783459 1067170867 /nfs/dbraw/zinc/17/08/67/1067170867.db2.gz MVERQIXWPJTANM-YQQAZPJKSA-N 1 3 322.449 2.076 20 0 DEADHO COC(=O)c1ccc2cc(CCNC[C@@]3(C)CC[NH2+]C3)oc2c1 ZINC001578874696 1067187814 /nfs/dbraw/zinc/18/78/14/1067187814.db2.gz HVRDXQIWYQWVSE-GOSISDBHSA-N 1 3 316.401 2.351 20 0 DEADHO COCC(=O)Nc1cccc(CNCc2cccc(C[NH3+])c2)c1 ZINC001578951231 1067209751 /nfs/dbraw/zinc/20/97/51/1067209751.db2.gz YWIASFYEUUHCII-UHFFFAOYSA-N 1 3 313.401 2.020 20 0 DEADHO COc1ccc([C@H](CO)N(C)Cc2ccc(C[NH3+])cc2)cc1 ZINC001579199212 1067254911 /nfs/dbraw/zinc/25/49/11/1067254911.db2.gz HDQNUFIVOPVAQP-SFHVURJKSA-N 1 3 300.402 2.319 20 0 DEADHO COc1ccc(CCNC[C@H]([NH3+])CC(F)(F)F)c(OC)c1 ZINC001579209012 1067260794 /nfs/dbraw/zinc/26/07/94/1067260794.db2.gz CHNSJXIUHZDOGN-LLVKDONJSA-N 1 3 306.328 2.116 20 0 DEADHO Cc1c(C[C@H](CN)C[NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)cnn1C ZINC001579529540 1067362435 /nfs/dbraw/zinc/36/24/35/1067362435.db2.gz KLJZKVKIJQFCJO-NXHRZFHOSA-N 1 3 322.497 2.029 20 0 DEADHO C[C@@H](CN(C)Cc1cccc(Cl)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001483417999 1078521952 /nfs/dbraw/zinc/52/19/52/1078521952.db2.gz RHPCIFUWSHMZDF-ZFWWWQNUSA-N 1 3 323.868 2.228 20 0 DEADHO C[C@@H](CN(C)Cc1cccc(Cl)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001483417999 1078521956 /nfs/dbraw/zinc/52/19/56/1078521956.db2.gz RHPCIFUWSHMZDF-ZFWWWQNUSA-N 1 3 323.868 2.228 20 0 DEADHO Cc1nc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)sc1C ZINC001579858034 1067440274 /nfs/dbraw/zinc/44/02/74/1067440274.db2.gz QUSGLSQYMRHNTO-RRFJBIMHSA-N 1 3 309.479 2.478 20 0 DEADHO Cc1nc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)sc1C ZINC001579858038 1067440508 /nfs/dbraw/zinc/44/05/08/1067440508.db2.gz QUSGLSQYMRHNTO-ZNMIVQPWSA-N 1 3 309.479 2.478 20 0 DEADHO CCC/C=C/CC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001267058919 1078536163 /nfs/dbraw/zinc/53/61/63/1078536163.db2.gz RAWUAIDPFAKJLF-MBVDDHJVSA-N 1 3 304.438 2.137 20 0 DEADHO [NH3+][C@@H]1C[C@@H](N[C@@H]2Cc3ccc(Cl)cc3C2)C12CCOCC2 ZINC001580162687 1067513670 /nfs/dbraw/zinc/51/36/70/1067513670.db2.gz DBYNNRQELSTBMG-BZUAXINKSA-N 1 3 306.837 2.293 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]C/C=C\Cl ZINC001483442712 1078537183 /nfs/dbraw/zinc/53/71/83/1078537183.db2.gz HJNNUIXEWAROOD-XDHNQJSPSA-N 1 3 315.889 2.345 20 0 DEADHO NC[C@@]12C[N@H+](C[C@H]3CCC4(CCOCC4)CO3)C[C@H]1CCCC2 ZINC001580255108 1067543329 /nfs/dbraw/zinc/54/33/29/1067543329.db2.gz GTMMQLDGKWIJNO-LMMKCTJWSA-N 1 3 322.493 2.413 20 0 DEADHO NC[C@@]12C[N@@H+](C[C@H]3CCC4(CCOCC4)CO3)C[C@H]1CCCC2 ZINC001580255108 1067543337 /nfs/dbraw/zinc/54/33/37/1067543337.db2.gz GTMMQLDGKWIJNO-LMMKCTJWSA-N 1 3 322.493 2.413 20 0 DEADHO CC[N@H+](CCCNC(=O)CN1CC[C@@H](C)C1)C1CCCCC1 ZINC001639884608 1078631248 /nfs/dbraw/zinc/63/12/48/1078631248.db2.gz UBRCRKSKZOOALF-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CC[N@@H+](CCCNC(=O)CN1CC[C@@H](C)C1)C1CCCCC1 ZINC001639884608 1078631249 /nfs/dbraw/zinc/63/12/49/1078631249.db2.gz UBRCRKSKZOOALF-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC([C@@H](C)[NH2+]CCCF)CC1)N(C)C ZINC001267189961 1078653119 /nfs/dbraw/zinc/65/31/19/1078653119.db2.gz BIFYSYLLVREXEE-ZBFHGGJFSA-N 1 3 315.477 2.149 20 0 DEADHO CCCCCN1CC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001483691182 1078805977 /nfs/dbraw/zinc/80/59/77/1078805977.db2.gz CKZLIHKVBSPTIO-GOSISDBHSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@]1(Cc2ccccc2F)CCC[N@@H+]1C[C@]1(O)CCCNC1 ZINC001573622148 1069052849 /nfs/dbraw/zinc/05/28/49/1069052849.db2.gz HWBKUVBZZUZMCV-ROUUACIJSA-N 1 3 306.425 2.337 20 0 DEADHO C[C@@]1(Cc2ccccc2F)CCC[N@H+]1C[C@]1(O)CCCNC1 ZINC001573622148 1069052852 /nfs/dbraw/zinc/05/28/52/1069052852.db2.gz HWBKUVBZZUZMCV-ROUUACIJSA-N 1 3 306.425 2.337 20 0 DEADHO C[C@@]1(Cc2ccccc2F)CCCN1C[C@]1(O)CCC[NH2+]C1 ZINC001573622148 1069052856 /nfs/dbraw/zinc/05/28/56/1069052856.db2.gz HWBKUVBZZUZMCV-ROUUACIJSA-N 1 3 306.425 2.337 20 0 DEADHO CCCN(C)[C@H](CNC(=O)[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC001573750885 1069093844 /nfs/dbraw/zinc/09/38/44/1069093844.db2.gz LECVQHIEXCEDLV-GOEBONIOSA-N 1 3 323.868 2.449 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@H+](C)Cc1ccc(C2CC2)cc1 ZINC001480952045 1078902969 /nfs/dbraw/zinc/90/29/69/1078902969.db2.gz UZCCNPMXDLMZKY-UHFFFAOYSA-N 1 3 317.477 2.452 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@@H+](C)Cc1ccc(C2CC2)cc1 ZINC001480952045 1078902979 /nfs/dbraw/zinc/90/29/79/1078902979.db2.gz UZCCNPMXDLMZKY-UHFFFAOYSA-N 1 3 317.477 2.452 20 0 DEADHO CN(C)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CC1CCCC1 ZINC001272498940 1078930150 /nfs/dbraw/zinc/93/01/50/1078930150.db2.gz GPAVNFJXVDNCGR-GOSISDBHSA-N 1 3 307.482 2.195 20 0 DEADHO CN(C)CCN1C[C@]2(CC1=O)CCCC[N@H+]2CC1CCCC1 ZINC001272498940 1078930158 /nfs/dbraw/zinc/93/01/58/1078930158.db2.gz GPAVNFJXVDNCGR-GOSISDBHSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)[N@@H+](C/C=C\Cl)CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001267509250 1078938519 /nfs/dbraw/zinc/93/85/19/1078938519.db2.gz OUINCMAYZFERIO-IJVDHGTGSA-N 1 3 315.889 2.297 20 0 DEADHO CC(C)[N@H+](C/C=C\Cl)CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001267509250 1078938524 /nfs/dbraw/zinc/93/85/24/1078938524.db2.gz OUINCMAYZFERIO-IJVDHGTGSA-N 1 3 315.889 2.297 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001548577094 1072693329 /nfs/dbraw/zinc/69/33/29/1072693329.db2.gz BCKPNOSDVXBXAJ-PBHICJAKSA-N 1 3 301.434 2.340 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC001548577101 1072693971 /nfs/dbraw/zinc/69/39/71/1072693971.db2.gz BCKPNOSDVXBXAJ-WMLDXEAASA-N 1 3 301.434 2.340 20 0 DEADHO CCCN1CCCC[C@@H]1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC001645677276 1078958811 /nfs/dbraw/zinc/95/88/11/1078958811.db2.gz HHLSIVLJIYAYDS-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO COc1ccc(NC(=O)CC[N@@H+]2C[C@H]3CCC[C@@]3(CN)C2)cc1 ZINC001549118149 1073030250 /nfs/dbraw/zinc/03/02/50/1073030250.db2.gz WMSUPVJJUQUZPB-RDTXWAMCSA-N 1 3 317.433 2.085 20 0 DEADHO COc1ccc(NC(=O)CC[N@H+]2C[C@H]3CCC[C@@]3(CN)C2)cc1 ZINC001549118149 1073030262 /nfs/dbraw/zinc/03/02/62/1073030262.db2.gz WMSUPVJJUQUZPB-RDTXWAMCSA-N 1 3 317.433 2.085 20 0 DEADHO Cn1ccnc1[C@H]1OCC[C@H]1C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC001549192405 1073065361 /nfs/dbraw/zinc/06/53/61/1073065361.db2.gz BFMJTBPYFKYBIL-HOCLYGCPSA-N 1 3 320.481 2.350 20 0 DEADHO Cc1c[nH+]c2ccccc2c1N1CC[C@H](N2CCN(C)CC2)C1 ZINC001549908460 1073328655 /nfs/dbraw/zinc/32/86/55/1073328655.db2.gz ZAWWYLZVBHYRGI-INIZCTEOSA-N 1 3 310.445 2.369 20 0 DEADHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001369257973 1148883803 /nfs/dbraw/zinc/88/38/03/1148883803.db2.gz FKJUAXFCRWAWHM-GOEBONIOSA-N 1 3 309.498 2.343 20 0 DEADHO CN(C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1)[C@@H]1CCN(C)C1 ZINC001550049048 1073395674 /nfs/dbraw/zinc/39/56/74/1073395674.db2.gz POTXMYLAKRPCDZ-IAGOWNOFSA-N 1 3 322.497 2.129 20 0 DEADHO CN(C(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1)[C@@H]1CCN(C)C1 ZINC001550049048 1073395684 /nfs/dbraw/zinc/39/56/84/1073395684.db2.gz POTXMYLAKRPCDZ-IAGOWNOFSA-N 1 3 322.497 2.129 20 0 DEADHO [NH3+][C@@H]1C[C@@H]1c1ccc(NC(=O)[C@H]2CNCc3ccccc32)cc1 ZINC001550097273 1073426499 /nfs/dbraw/zinc/42/64/99/1073426499.db2.gz UZLCBIGGHCOCJJ-FGTMMUONSA-N 1 3 307.397 2.327 20 0 DEADHO Cc1cc(N)nc(NCC2CC[NH+](Cc3ccncc3)CC2)n1 ZINC001550626505 1073754208 /nfs/dbraw/zinc/75/42/08/1073754208.db2.gz TWKNVWKGOVWNCM-UHFFFAOYSA-N 1 3 312.421 2.086 20 0 DEADHO Nc1c(F)cccc1CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC001550705662 1073818649 /nfs/dbraw/zinc/81/86/49/1073818649.db2.gz ZIYUHWHQJUOEDM-WBVHZDCISA-N 1 3 307.413 2.126 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CCN1C[C@H](O)[C@H](Cc2ccccc2)C1 ZINC001551014236 1074010393 /nfs/dbraw/zinc/01/03/93/1074010393.db2.gz LDPMYWISVCIVDU-QRVBRYPASA-N 1 3 302.462 2.396 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CCN1C[C@H](O)[C@H](Cc2ccccc2)C1 ZINC001551014236 1074010399 /nfs/dbraw/zinc/01/03/99/1074010399.db2.gz LDPMYWISVCIVDU-QRVBRYPASA-N 1 3 302.462 2.396 20 0 DEADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cccn1C1CC1 ZINC001649821612 1079236543 /nfs/dbraw/zinc/23/65/43/1079236543.db2.gz JPCBRZLZDYOXPR-UHFFFAOYSA-N 1 3 304.482 2.281 20 0 DEADHO CN1CCCC[C@H](C[NH2+]C[C@@H](O)COCc2ccccc2F)C1 ZINC001646526000 1074470402 /nfs/dbraw/zinc/47/04/02/1074470402.db2.gz OOQODHYPNLGERE-NVXWUHKLSA-N 1 3 324.440 2.025 20 0 DEADHO C[N@@H+]1CCCC[C@H](CNC[C@@H](O)COCc2ccccc2F)C1 ZINC001646526000 1074470404 /nfs/dbraw/zinc/47/04/04/1074470404.db2.gz OOQODHYPNLGERE-NVXWUHKLSA-N 1 3 324.440 2.025 20 0 DEADHO C[N@H+]1CCCC[C@H](CNC[C@@H](O)COCc2ccccc2F)C1 ZINC001646526000 1074470407 /nfs/dbraw/zinc/47/04/07/1074470407.db2.gz OOQODHYPNLGERE-NVXWUHKLSA-N 1 3 324.440 2.025 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001646618253 1074503108 /nfs/dbraw/zinc/50/31/08/1074503108.db2.gz HYPIEMBNQXCJIZ-QGZVFWFLSA-N 1 3 303.450 2.005 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)NCCN2CCCCC2)[C@H]1c1ccccc1 ZINC001552296639 1074526830 /nfs/dbraw/zinc/52/68/30/1074526830.db2.gz GYWPVDNUUZZDOL-QZTJIDSGSA-N 1 3 315.461 2.282 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)NCCN2CCCCC2)[C@H]1c1ccccc1 ZINC001552296639 1074526835 /nfs/dbraw/zinc/52/68/35/1074526835.db2.gz GYWPVDNUUZZDOL-QZTJIDSGSA-N 1 3 315.461 2.282 20 0 DEADHO Cn1cc([C@@H]2OCCC[C@@H]2CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC001552375770 1074559614 /nfs/dbraw/zinc/55/96/14/1074559614.db2.gz LWGGVLUGMKXEHE-LAVFITLUSA-N 1 3 318.465 2.104 20 0 DEADHO Cn1cc([C@@H]2OCCC[C@@H]2CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC001552375770 1074559621 /nfs/dbraw/zinc/55/96/21/1074559621.db2.gz LWGGVLUGMKXEHE-LAVFITLUSA-N 1 3 318.465 2.104 20 0 DEADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@H]1CCCC[NH2+]C1 ZINC001552413776 1074571762 /nfs/dbraw/zinc/57/17/62/1074571762.db2.gz BCUNSPCIZUDEBD-LSDHHAIUSA-N 1 3 321.490 2.391 20 0 DEADHO N[C@H](C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2)C1CCCCCC1 ZINC001646746610 1074595427 /nfs/dbraw/zinc/59/54/27/1074595427.db2.gz BKWXXBLRGDDOHX-FZMZJTMJSA-N 1 3 322.478 2.195 20 0 DEADHO O=C(Nc1ccc2c(c1)C[NH2+]C2)c1ccc2c(c1)OCCNC2 ZINC001646748876 1074596263 /nfs/dbraw/zinc/59/62/63/1074596263.db2.gz MRHNZPHJZSVXSB-UHFFFAOYSA-N 1 3 309.369 2.024 20 0 DEADHO Cc1ncc2c(n1)CC[C@H](N[C@@H]1[C@H]3CCC[NH2+][C@H]3C1(C)C)C2 ZINC001553023569 1074739274 /nfs/dbraw/zinc/73/92/74/1074739274.db2.gz BGEBCPUGHJITJX-XJNFMUPTSA-N 1 3 300.450 2.009 20 0 DEADHO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1[C@H]3CCCN[C@H]3C1(C)C)C2 ZINC001553023569 1074739281 /nfs/dbraw/zinc/73/92/81/1074739281.db2.gz BGEBCPUGHJITJX-XJNFMUPTSA-N 1 3 300.450 2.009 20 0 DEADHO CN1CC[C@H](CN[C@H]2CC[NH2+]C23CCCC3)[C@@H]1c1cccnc1 ZINC001553027825 1074741450 /nfs/dbraw/zinc/74/14/50/1074741450.db2.gz OTWVZUIWRVPTNI-SQNIBIBYSA-N 1 3 314.477 2.339 20 0 DEADHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001369280945 1148890070 /nfs/dbraw/zinc/89/00/70/1148890070.db2.gz BPDJAJIXNNDJKS-WMLDXEAASA-N 1 3 323.456 2.411 20 0 DEADHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]C/C=C\c1ccccc1)N(C)C ZINC001369282000 1148890557 /nfs/dbraw/zinc/89/05/57/1148890557.db2.gz FSDTZAFEVXOYLL-UDZWXDPDSA-N 1 3 317.477 2.477 20 0 DEADHO CCCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001647248179 1074856769 /nfs/dbraw/zinc/85/67/69/1074856769.db2.gz NUSDPMCQZJUKFZ-RCCFBDPRSA-N 1 3 321.509 2.489 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC001553548734 1074912556 /nfs/dbraw/zinc/91/25/56/1074912556.db2.gz IXYIMXNSJOEDMN-CVEARBPZSA-N 1 3 322.497 2.082 20 0 DEADHO C[C@H]([NH2+]C[C@H](O)CCC1(O)CCC1)[C@H]1CCCN(C2CCC2)C1 ZINC001647452728 1074932003 /nfs/dbraw/zinc/93/20/03/1074932003.db2.gz ZNFMDPHLYXYJDH-XYJFISCASA-N 1 3 324.509 2.285 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H]2C[C@@H](N3CCCC3)C2)c1 ZINC001647562459 1074947164 /nfs/dbraw/zinc/94/71/64/1074947164.db2.gz CULJBTCLITWZAP-FGTMMUONSA-N 1 3 318.461 2.260 20 0 DEADHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CCc1ccccc1)N(C)C ZINC001369282734 1148891120 /nfs/dbraw/zinc/89/11/20/1148891120.db2.gz GDLKLPXFHRUJFK-DOTOQJQBSA-N 1 3 305.466 2.006 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001565854880 1075197840 /nfs/dbraw/zinc/19/78/40/1075197840.db2.gz SWTROEKYCUKUDS-CALCHBBNSA-N 1 3 307.482 2.313 20 0 DEADHO CC(C)CC[NH2+]C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001566895642 1075376645 /nfs/dbraw/zinc/37/66/45/1075376645.db2.gz MDRLBXICTHNHLZ-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CCC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)N(C)C ZINC001566973035 1075405265 /nfs/dbraw/zinc/40/52/65/1075405265.db2.gz LPCSXSPWFDIMSN-LKPXDGKRSA-N 1 3 307.482 2.119 20 0 DEADHO CCC/C=C/CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)N(C)C ZINC001566973035 1075405269 /nfs/dbraw/zinc/40/52/69/1075405269.db2.gz LPCSXSPWFDIMSN-LKPXDGKRSA-N 1 3 307.482 2.119 20 0 DEADHO O[C@@H](CN1CCC[C@H]1c1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001580877896 1076011338 /nfs/dbraw/zinc/01/13/38/1076011338.db2.gz GKPCEUMCNBQCDR-IRXDYDNUSA-N 1 3 310.388 2.462 20 0 DEADHO C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589962297 1076537391 /nfs/dbraw/zinc/53/73/91/1076537391.db2.gz RVKSTTLGTNQUPB-UONOGXRCSA-N 1 3 314.437 2.249 20 0 DEADHO C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589962297 1076537394 /nfs/dbraw/zinc/53/73/94/1076537394.db2.gz RVKSTTLGTNQUPB-UONOGXRCSA-N 1 3 314.437 2.249 20 0 DEADHO C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589962297 1076537398 /nfs/dbraw/zinc/53/73/98/1076537398.db2.gz RVKSTTLGTNQUPB-UONOGXRCSA-N 1 3 314.437 2.249 20 0 DEADHO C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589962297 1076537405 /nfs/dbraw/zinc/53/74/05/1076537405.db2.gz RVKSTTLGTNQUPB-UONOGXRCSA-N 1 3 314.437 2.249 20 0 DEADHO CC(C)N1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC001650359997 1079559566 /nfs/dbraw/zinc/55/95/66/1079559566.db2.gz HEMLKPNKYSRQLC-ZACQAIPSSA-N 1 3 307.482 2.240 20 0 DEADHO N[C@@H](C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)C1CCCCCC1 ZINC001650373869 1079570596 /nfs/dbraw/zinc/57/05/96/1079570596.db2.gz OIDOTWPDOXYRIF-QGZVFWFLSA-N 1 3 317.433 2.405 20 0 DEADHO CCCCC[NH2+]CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001267918690 1079601450 /nfs/dbraw/zinc/60/14/50/1079601450.db2.gz CUOVMVYSOGPPNU-UHFFFAOYSA-N 1 3 309.498 2.491 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[NH2+]Cc1c(C)cccc1C ZINC001481306565 1079699892 /nfs/dbraw/zinc/69/98/92/1079699892.db2.gz WXVKTYLDIFFNLH-UHFFFAOYSA-N 1 3 305.466 2.193 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001481320112 1079716944 /nfs/dbraw/zinc/71/69/44/1079716944.db2.gz VSQWQFOVQVGECY-KRWDZBQOSA-N 1 3 321.440 2.201 20 0 DEADHO COCCOc1cccc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)c1 ZINC001651697841 1079827067 /nfs/dbraw/zinc/82/70/67/1079827067.db2.gz KCQCBCUTUBAJDS-KBAYOESNSA-N 1 3 304.434 2.142 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCc2ccccc2)[C@@H](C)C1 ZINC001484909892 1079855415 /nfs/dbraw/zinc/85/54/15/1079855415.db2.gz QNDPLXIKCLVPGG-WMZOPIPTSA-N 1 3 317.477 2.006 20 0 DEADHO Cn1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c(-c2cccnc2)n1 ZINC000067187627 1079876809 /nfs/dbraw/zinc/87/68/09/1079876809.db2.gz AHXAIIKXJOWISC-AWEZNQCLSA-N 1 3 311.433 2.056 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](CN(C)C/C=C\Cl)C1 ZINC001481506002 1079966918 /nfs/dbraw/zinc/96/69/18/1079966918.db2.gz XXJMSKKQAWJHKP-KKTNHOPESA-N 1 3 315.889 2.251 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](CN(C)C/C=C\Cl)C1 ZINC001481506002 1079966925 /nfs/dbraw/zinc/96/69/25/1079966925.db2.gz XXJMSKKQAWJHKP-KKTNHOPESA-N 1 3 315.889 2.251 20 0 DEADHO CCCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001656448767 1080093870 /nfs/dbraw/zinc/09/38/70/1080093870.db2.gz VABRUCMYQLUEPV-HOCLYGCPSA-N 1 3 306.454 2.359 20 0 DEADHO CC[C@@H](C(=O)NCCC[N@H+](C)[C@@H]1CCc2ccccc21)N(C)C ZINC001660368597 1080319402 /nfs/dbraw/zinc/31/94/02/1080319402.db2.gz HLNYNWSXGSFKPO-ZWKOTPCHSA-N 1 3 317.477 2.452 20 0 DEADHO CC[C@@H](C(=O)NCCC[N@@H+](C)[C@@H]1CCc2ccccc21)N(C)C ZINC001660368597 1080319407 /nfs/dbraw/zinc/31/94/07/1080319407.db2.gz HLNYNWSXGSFKPO-ZWKOTPCHSA-N 1 3 317.477 2.452 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21 ZINC001485628799 1080341066 /nfs/dbraw/zinc/34/10/66/1080341066.db2.gz MUYNSAMIWWHLMX-OSYLJGHBSA-N 1 3 323.525 2.447 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21 ZINC001485628799 1080341069 /nfs/dbraw/zinc/34/10/69/1080341069.db2.gz MUYNSAMIWWHLMX-OSYLJGHBSA-N 1 3 323.525 2.447 20 0 DEADHO CC(C)C[NH2+]CC[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001481983332 1080665883 /nfs/dbraw/zinc/66/58/83/1080665883.db2.gz IAAVDIICAUKBEA-DLBZAZTESA-N 1 3 309.498 2.203 20 0 DEADHO O=C(NC/C=C/CNCc1ccsc1)C12CCC[NH+]1CCC2 ZINC001268564030 1080763352 /nfs/dbraw/zinc/76/33/52/1080763352.db2.gz RBWVSAITJGBDRT-OWOJBTEDSA-N 1 3 319.474 2.139 20 0 DEADHO CC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001663593892 1080785105 /nfs/dbraw/zinc/78/51/05/1080785105.db2.gz XNBIBERCQUTISM-YIEVGGLXSA-N 1 3 307.482 2.265 20 0 DEADHO CC/C=C\CC[N@H+]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001663593892 1080785109 /nfs/dbraw/zinc/78/51/09/1080785109.db2.gz XNBIBERCQUTISM-YIEVGGLXSA-N 1 3 307.482 2.265 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CC1CC2(CCC2)C1 ZINC001482108833 1080810240 /nfs/dbraw/zinc/81/02/40/1080810240.db2.gz XPQWMLXVBPWMBR-OAHLLOKOSA-N 1 3 321.509 2.393 20 0 DEADHO CN(CCC[NH2+]CCC1=CCCCC1)C(=O)[C@H]1CCCN1C ZINC001268812751 1081003634 /nfs/dbraw/zinc/00/36/34/1081003634.db2.gz WTNKYRNFWIZGAU-QGZVFWFLSA-N 1 3 307.482 2.409 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CC=C(Cl)Cl ZINC001666563017 1081162099 /nfs/dbraw/zinc/16/20/99/1081162099.db2.gz GHFCCIDVXFLQTF-LLVKDONJSA-N 1 3 322.280 2.132 20 0 DEADHO CC[N@H+](C)CCC(=O)N(C)[C@@H](C)CNCC=C(Cl)Cl ZINC001667023781 1081203434 /nfs/dbraw/zinc/20/34/34/1081203434.db2.gz QJWOHHPGNGRUBB-NSHDSACASA-N 1 3 310.269 2.084 20 0 DEADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CNCC=C(Cl)Cl ZINC001667023781 1081203435 /nfs/dbraw/zinc/20/34/35/1081203435.db2.gz QJWOHHPGNGRUBB-NSHDSACASA-N 1 3 310.269 2.084 20 0 DEADHO CCN(CC[NH2+]CC1=CCCCC1)C(=O)C1(N(C)C)CCC1 ZINC001668453573 1081356910 /nfs/dbraw/zinc/35/69/10/1081356910.db2.gz WCPRDBDFKBMVRE-UHFFFAOYSA-N 1 3 307.482 2.409 20 0 DEADHO CCN(CC[NH2+]Cc1cccc(Cl)c1)C(=O)CN1CCCC1 ZINC001668645563 1081376197 /nfs/dbraw/zinc/37/61/97/1081376197.db2.gz OSWNRBFROBSXCM-UHFFFAOYSA-N 1 3 323.868 2.374 20 0 DEADHO CC[C@@H](C)C[NH2+]CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001269839503 1081378786 /nfs/dbraw/zinc/37/87/86/1081378786.db2.gz ZKGAGVRQXNNEPQ-NVXWUHKLSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)NC/C=C/C[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001668881936 1081405977 /nfs/dbraw/zinc/40/59/77/1081405977.db2.gz BWYWJYNERYZWFD-SQRWCISFSA-N 1 3 323.868 2.442 20 0 DEADHO CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)N1CCCC1)C2 ZINC001095812363 1081408294 /nfs/dbraw/zinc/40/82/94/1081408294.db2.gz KJBCWCBZGWIVNF-VSZNYVQBSA-N 1 3 319.493 2.382 20 0 DEADHO CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)N1CCCC1)C2 ZINC001095812363 1081408296 /nfs/dbraw/zinc/40/82/96/1081408296.db2.gz KJBCWCBZGWIVNF-VSZNYVQBSA-N 1 3 319.493 2.382 20 0 DEADHO C[C@H](C[NH2+]CCCc1ccsc1)NC(=O)CN1CC[C@H](C)C1 ZINC001669399595 1081449176 /nfs/dbraw/zinc/44/91/76/1081449176.db2.gz FTBMJYFZRZIAGO-LSDHHAIUSA-N 1 3 323.506 2.117 20 0 DEADHO CC(C)CC[NH2+]C[C@]1(C)CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001671784960 1081538751 /nfs/dbraw/zinc/53/87/51/1081538751.db2.gz NSJJYDPORFWSDE-WMZOPIPTSA-N 1 3 309.498 2.203 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@](C)(C[NH2+]CCC3CC3)C2)CC1 ZINC001671796160 1081539459 /nfs/dbraw/zinc/53/94/59/1081539459.db2.gz RXFNXDFITKZCNI-IBGZPJMESA-N 1 3 321.509 2.347 20 0 DEADHO CC(C)C[C@@H](C[NH2+]CC1CC1)NC(=O)[C@H]1CCCN1C(C)C ZINC001482384151 1081783859 /nfs/dbraw/zinc/78/38/59/1081783859.db2.gz KSABKDNTYDKLBR-DLBZAZTESA-N 1 3 309.498 2.390 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCCCCF)[C@H](C)C1 ZINC001482439371 1081830860 /nfs/dbraw/zinc/83/08/60/1081830860.db2.gz PBURHGHRJIUILU-HZPDHXFCSA-N 1 3 315.477 2.293 20 0 DEADHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCN1C1CCCCC1 ZINC001270915763 1081836690 /nfs/dbraw/zinc/83/66/90/1081836690.db2.gz GTJFNCJTJBRALQ-YQAQFAQXSA-N 1 3 305.466 2.135 20 0 DEADHO C[C@@H](C[NH2+]CCCC1CCCC1)N(C)C(=O)[C@H]1CCCN1C ZINC001270915509 1081837527 /nfs/dbraw/zinc/83/75/27/1081837527.db2.gz YIQXXDSMACSIFW-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@@H]2CC[NH2+]CCC2CC2)C1 ZINC001482456490 1081906907 /nfs/dbraw/zinc/90/69/07/1081906907.db2.gz OCZNYBADIWINJW-SJLPKXTDSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)C[C@@](C)(C[NH3+])C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC001648961481 1081946607 /nfs/dbraw/zinc/94/66/07/1081946607.db2.gz BWLVHNVKOKVRRW-MJGOQNOKSA-N 1 3 319.493 2.287 20 0 DEADHO CC[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CCCF ZINC001670582563 1082188525 /nfs/dbraw/zinc/18/85/25/1082188525.db2.gz UUHVOXHNPXZGGE-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)C[C@@H]([NH3+])CC(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC001648975164 1082274720 /nfs/dbraw/zinc/27/47/20/1082274720.db2.gz GHOXCCZBIPWELA-CABCVRRESA-N 1 3 319.449 2.106 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCCC23CC[NH2+]CC3)CN1C1CC1 ZINC001648975931 1082297896 /nfs/dbraw/zinc/29/78/96/1082297896.db2.gz DYQRTSSAGSTIGJ-VYDXJSESSA-N 1 3 319.493 2.288 20 0 DEADHO CC(C)[C@H](C(=O)N(C)CC[NH2+]CC1CCC(C)CC1)N(C)C ZINC001266828372 1082374022 /nfs/dbraw/zinc/37/40/22/1082374022.db2.gz XACSZJRWZSGEHV-OFLPRAFFSA-N 1 3 311.514 2.447 20 0 DEADHO CC[C@H](C(=O)NC/C=C/C[NH2+][C@H]1CCc2ccccc21)N(C)C ZINC001483024645 1082627837 /nfs/dbraw/zinc/62/78/37/1082627837.db2.gz WLWJTTQBRCACME-KBSZCIAZSA-N 1 3 315.461 2.276 20 0 DEADHO C[C@@H](NC/C=C/CNC(=O)CC[NH+](C)C)c1ccc(F)cc1 ZINC001483053625 1082665594 /nfs/dbraw/zinc/66/55/94/1082665594.db2.gz GKSILKBCRAPRKJ-ISZGNANSSA-N 1 3 307.413 2.100 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@@H](C)[NH2+]CCc1cccs1 ZINC001409478556 1082911234 /nfs/dbraw/zinc/91/12/34/1082911234.db2.gz WYOCBNYLKCZRCN-VXGBXAGGSA-N 1 3 320.462 2.048 20 0 DEADHO C[C@@H](F)CC[N@H+](C)[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001409596944 1082973589 /nfs/dbraw/zinc/97/35/89/1082973589.db2.gz QKTKSJOCEDWABR-ZIAGYGMSSA-N 1 3 301.450 2.045 20 0 DEADHO C[C@@H](F)CC[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001409596944 1082973598 /nfs/dbraw/zinc/97/35/98/1082973598.db2.gz QKTKSJOCEDWABR-ZIAGYGMSSA-N 1 3 301.450 2.045 20 0 DEADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)Cc1cccc(Cl)c1 ZINC001409681048 1083018212 /nfs/dbraw/zinc/01/82/12/1083018212.db2.gz LXGBGGWWCMZFHS-DZGCQCFKSA-N 1 3 323.868 2.228 20 0 DEADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)Cc1cccc(Cl)c1 ZINC001409681048 1083018216 /nfs/dbraw/zinc/01/82/16/1083018216.db2.gz LXGBGGWWCMZFHS-DZGCQCFKSA-N 1 3 323.868 2.228 20 0 DEADHO Cc1cc(CN2CCCC3(CN(CC[NH+](C)C)C3)C2)cc(C)n1 ZINC001276397639 1083376435 /nfs/dbraw/zinc/37/64/35/1083376435.db2.gz HYSVAJYTQQQVCY-UHFFFAOYSA-N 1 3 316.493 2.158 20 0 DEADHO C[N@H+]1CC[C@H]2C[NH+](Cc3sc(=O)[n-]c3Cl)C[C@H]2CC1 ZINC001276838444 1083640280 /nfs/dbraw/zinc/64/02/80/1083640280.db2.gz XGOUCSGTHDQIKF-AOOOYVTPSA-N 1 3 301.843 2.276 20 0 DEADHO C[N@@H+]1CC[C@H]2C[NH+](Cc3sc(=O)[n-]c3Cl)C[C@H]2CC1 ZINC001276838444 1083640283 /nfs/dbraw/zinc/64/02/83/1083640283.db2.gz XGOUCSGTHDQIKF-AOOOYVTPSA-N 1 3 301.843 2.276 20 0 DEADHO C[NH+]1CC[C@H]2C[N@@H+](Cc3sc(=O)[n-]c3Cl)C[C@H]2CC1 ZINC001276838444 1083640284 /nfs/dbraw/zinc/64/02/84/1083640284.db2.gz XGOUCSGTHDQIKF-AOOOYVTPSA-N 1 3 301.843 2.276 20 0 DEADHO C[NH+]1CC[C@H]2C[N@H+](Cc3sc(=O)[n-]c3Cl)C[C@H]2CC1 ZINC001276838444 1083640286 /nfs/dbraw/zinc/64/02/86/1083640286.db2.gz XGOUCSGTHDQIKF-AOOOYVTPSA-N 1 3 301.843 2.276 20 0 DEADHO Cn1c(CN2CCC3(C[NH+](C4CCCC4)C3)CC2)cccc1=O ZINC001277314856 1083907329 /nfs/dbraw/zinc/90/73/29/1083907329.db2.gz BHQYALBWFOOINF-UHFFFAOYSA-N 1 3 315.461 2.226 20 0 DEADHO CN(C(=O)CC[NH+](C)C)[C@H](CNCC=C(Cl)Cl)C1CC1 ZINC001277692618 1084099133 /nfs/dbraw/zinc/09/91/33/1084099133.db2.gz DFMZYNLHOUCYAH-GFCCVEGCSA-N 1 3 322.280 2.084 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC001491126254 1084100764 /nfs/dbraw/zinc/10/07/64/1084100764.db2.gz MMDFITACXQNWAC-ZDUSSCGKSA-N 1 3 323.403 2.109 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC001491126254 1084100766 /nfs/dbraw/zinc/10/07/66/1084100766.db2.gz MMDFITACXQNWAC-ZDUSSCGKSA-N 1 3 323.403 2.109 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001491251296 1084182113 /nfs/dbraw/zinc/18/21/13/1084182113.db2.gz LLCZJGJWQYYQBO-GJZGRUSLSA-N 1 3 313.461 2.190 20 0 DEADHO FC1(F)CCNC[C@]12CC[N@H+](Cc1ccc3c(c1)CCN3)C2 ZINC001235092660 1084307071 /nfs/dbraw/zinc/30/70/71/1084307071.db2.gz KPRHFVBDFDMVSN-INIZCTEOSA-N 1 3 307.388 2.475 20 0 DEADHO FC1(F)CCNC[C@]12CC[N@@H+](Cc1ccc3c(c1)CCN3)C2 ZINC001235092660 1084307076 /nfs/dbraw/zinc/30/70/76/1084307076.db2.gz KPRHFVBDFDMVSN-INIZCTEOSA-N 1 3 307.388 2.475 20 0 DEADHO Cc1ccc(F)cc1C[NH2+][C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001491480613 1084337256 /nfs/dbraw/zinc/33/72/56/1084337256.db2.gz KVLRLDMXDMQGDK-AWEZNQCLSA-N 1 3 321.440 2.213 20 0 DEADHO COC(=O)c1cc(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)cn1C ZINC001235227808 1084351311 /nfs/dbraw/zinc/35/13/11/1084351311.db2.gz IXLWHFBUJOIYDR-INIZCTEOSA-N 1 3 319.449 2.166 20 0 DEADHO Nc1cccc(CN2Cc3ccccc3C3(CC[NH2+]CC3)C2)n1 ZINC001235978229 1084580102 /nfs/dbraw/zinc/58/01/02/1084580102.db2.gz PTERHPPFJNOFDI-UHFFFAOYSA-N 1 3 308.429 2.301 20 0 DEADHO CCCCOc1cccc(CN2CCC[C@H](N3CC([NH3+])C3)C2)c1 ZINC001236072227 1084602664 /nfs/dbraw/zinc/60/26/64/1084602664.db2.gz FNDUSEVHUJGOEP-SFHVURJKSA-N 1 3 317.477 2.473 20 0 DEADHO CC(C)(C(=O)N[C@@H]1C[C@@H]([NH2+]CC2CC2)C12CCC2)N1CCCC1 ZINC001078700624 1084816093 /nfs/dbraw/zinc/81/60/93/1084816093.db2.gz ORDOSVPFDKAJBL-HZPDHXFCSA-N 1 3 319.493 2.288 20 0 DEADHO C[C@H]1[C@H]([NH2+]CCC2CC2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001486090049 1085053422 /nfs/dbraw/zinc/05/34/22/1085053422.db2.gz YKSMJRRMCIYCJI-GOEBONIOSA-N 1 3 309.498 2.343 20 0 DEADHO CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)CC1(C)C ZINC001486231934 1085139613 /nfs/dbraw/zinc/13/96/13/1085139613.db2.gz RABUCKOSSMOWMH-HZPDHXFCSA-N 1 3 309.498 2.486 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000960864458 1085488315 /nfs/dbraw/zinc/48/83/15/1085488315.db2.gz NMIAINDTAGNYAB-YOEHRIQHSA-N 1 3 313.461 2.142 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000960864458 1085488322 /nfs/dbraw/zinc/48/83/22/1085488322.db2.gz NMIAINDTAGNYAB-YOEHRIQHSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC3=CCCCC3)C[C@H]21 ZINC000961767955 1085857000 /nfs/dbraw/zinc/85/70/00/1085857000.db2.gz AKYVIIMJKORXBL-ITQYTPKQSA-N 1 3 317.477 2.018 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3=CCCCC3)C[C@H]21 ZINC000961767955 1085857009 /nfs/dbraw/zinc/85/70/09/1085857009.db2.gz AKYVIIMJKORXBL-ITQYTPKQSA-N 1 3 317.477 2.018 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(C)C)C[C@H]21 ZINC000962268062 1086045435 /nfs/dbraw/zinc/04/54/35/1086045435.db2.gz CUYVHUBYEIVPLS-XDNAFOTISA-N 1 3 321.509 2.343 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(C)C)C[C@H]21 ZINC000962268062 1086045445 /nfs/dbraw/zinc/04/54/45/1086045445.db2.gz CUYVHUBYEIVPLS-XDNAFOTISA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[NH2+]CC1CC(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000962301513 1086058672 /nfs/dbraw/zinc/05/86/72/1086058672.db2.gz NZJINBNXKMOHLQ-KVULBXGLSA-N 1 3 313.461 2.092 20 0 DEADHO CN1CCCC[C@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000700798730 1086333723 /nfs/dbraw/zinc/33/37/23/1086333723.db2.gz BKHZIOJYNABBQN-CABCVRRESA-N 1 3 311.470 2.317 20 0 DEADHO C[N@@H+]1CCCC[C@H](CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000700798730 1086333735 /nfs/dbraw/zinc/33/37/35/1086333735.db2.gz BKHZIOJYNABBQN-CABCVRRESA-N 1 3 311.470 2.317 20 0 DEADHO C[N@H+]1CCCC[C@H](CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000700798730 1086333749 /nfs/dbraw/zinc/33/37/49/1086333749.db2.gz BKHZIOJYNABBQN-CABCVRRESA-N 1 3 311.470 2.317 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CC2CC2)C1 ZINC000963365784 1086426612 /nfs/dbraw/zinc/42/66/12/1086426612.db2.gz HUTQMYLYGVIMIU-NVXWUHKLSA-N 1 3 316.449 2.065 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([C@H]2CCC[N@H+]2CC2CC2)C1 ZINC000963365784 1086426615 /nfs/dbraw/zinc/42/66/15/1086426615.db2.gz HUTQMYLYGVIMIU-NVXWUHKLSA-N 1 3 316.449 2.065 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963367377 1086427833 /nfs/dbraw/zinc/42/78/33/1086427833.db2.gz OSNMMDQJQPJFFK-WBVHZDCISA-N 1 3 318.465 2.311 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963367377 1086427839 /nfs/dbraw/zinc/42/78/39/1086427839.db2.gz OSNMMDQJQPJFFK-WBVHZDCISA-N 1 3 318.465 2.311 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001168756431 1086523253 /nfs/dbraw/zinc/52/32/53/1086523253.db2.gz YOLAXONBUSAZLD-QGZVFWFLSA-N 1 3 303.450 2.112 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)CN1Cc1ccccc1 ZINC000711109964 1086694572 /nfs/dbraw/zinc/69/45/72/1086694572.db2.gz PNNWLXKYOXANKM-LEUOFYLZSA-N 1 3 315.461 2.283 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001114662423 1087835305 /nfs/dbraw/zinc/83/53/05/1087835305.db2.gz KFDDSPVARYAVPR-NHIQPCQESA-N 1 3 319.493 2.264 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001114662423 1087835325 /nfs/dbraw/zinc/83/53/25/1087835325.db2.gz KFDDSPVARYAVPR-NHIQPCQESA-N 1 3 319.493 2.264 20 0 DEADHO CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C ZINC001114794052 1088527480 /nfs/dbraw/zinc/52/74/80/1088527480.db2.gz BDLYVKXVSBSNJA-LTIDMASMSA-N 1 3 309.498 2.199 20 0 DEADHO CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C ZINC001114794052 1088527489 /nfs/dbraw/zinc/52/74/89/1088527489.db2.gz BDLYVKXVSBSNJA-LTIDMASMSA-N 1 3 309.498 2.199 20 0 DEADHO CC[N@H+](CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1)C(C)C ZINC000957753184 1088599914 /nfs/dbraw/zinc/59/99/14/1088599914.db2.gz BWHLLIFJQYVELA-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@@H+](CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1)C(C)C ZINC000957753184 1088599926 /nfs/dbraw/zinc/59/99/26/1088599926.db2.gz BWHLLIFJQYVELA-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H](F)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001080255224 1088740571 /nfs/dbraw/zinc/74/05/71/1088740571.db2.gz QRRPIBMKVNIJGS-QLFBSQMISA-N 1 3 313.461 2.045 20 0 DEADHO C[C@H](F)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001080255224 1088740586 /nfs/dbraw/zinc/74/05/86/1088740586.db2.gz QRRPIBMKVNIJGS-QLFBSQMISA-N 1 3 313.461 2.045 20 0 DEADHO C[NH2+][C@@H](C)C(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1 ZINC000719956013 1089418776 /nfs/dbraw/zinc/41/87/76/1089418776.db2.gz XGKWKDWRGLCXHL-DOTOQJQBSA-N 1 3 303.450 2.107 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC2)C1 ZINC001082783455 1090077187 /nfs/dbraw/zinc/07/71/87/1090077187.db2.gz ZVWSBYLCYTZCFT-DJIMGWMZSA-N 1 3 307.482 2.096 20 0 DEADHO CCCN1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC001084406587 1090291817 /nfs/dbraw/zinc/29/18/17/1090291817.db2.gz SZYNLGOEPOHQLD-KBAYOESNSA-N 1 3 319.493 2.336 20 0 DEADHO CCCN1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC001084406587 1090291819 /nfs/dbraw/zinc/29/18/19/1090291819.db2.gz SZYNLGOEPOHQLD-KBAYOESNSA-N 1 3 319.493 2.336 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)NC/C=C\CNCc2cccc(Cl)c2)C1 ZINC001274578590 1091307306 /nfs/dbraw/zinc/30/73/06/1091307306.db2.gz KJYARHNYNKUBTL-MPNWYJEXSA-N 1 3 321.852 2.054 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)NC/C=C\CNCc2cccc(Cl)c2)C1 ZINC001274578590 1091307315 /nfs/dbraw/zinc/30/73/15/1091307315.db2.gz KJYARHNYNKUBTL-MPNWYJEXSA-N 1 3 321.852 2.054 20 0 DEADHO CCc1ccccc1C[NH2+]C/C=C\CNC(=O)CN1CCCC1 ZINC001274579841 1091308987 /nfs/dbraw/zinc/30/89/87/1091308987.db2.gz XQALMKRNQSBNDP-WAYWQWQTSA-N 1 3 315.461 2.107 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC1CCCC1 ZINC001274607705 1091321711 /nfs/dbraw/zinc/32/17/11/1091321711.db2.gz AOFBAHZLSVYGTE-JTGQJZMRSA-N 1 3 307.482 2.313 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2ccccc2)[C@H]1C ZINC001411085954 1091329322 /nfs/dbraw/zinc/32/93/22/1091329322.db2.gz OMACDYYXZZUXAN-FUHWJXTLSA-N 1 3 317.477 2.498 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2ccccc2)[C@H]1C ZINC001411085954 1091329338 /nfs/dbraw/zinc/32/93/38/1091329338.db2.gz OMACDYYXZZUXAN-FUHWJXTLSA-N 1 3 317.477 2.498 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]C/C=C\c1ccccc1)N(C)C ZINC001274913678 1091473542 /nfs/dbraw/zinc/47/35/42/1091473542.db2.gz RWYSXYLAEGUQKG-WBENJFFKSA-N 1 3 317.477 2.380 20 0 DEADHO CN(CCC[NH2+]CC=C(Cl)Cl)C(=O)CN(C)C1CCC1 ZINC001276048114 1091484716 /nfs/dbraw/zinc/48/47/16/1091484716.db2.gz MMCIVDHTYSIXJI-UHFFFAOYSA-N 1 3 322.280 2.228 20 0 DEADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](C[C@H]3CC=CCC3)C[C@H]2CC1 ZINC001275040872 1091527088 /nfs/dbraw/zinc/52/70/88/1091527088.db2.gz VNHFNHYYHYXGLP-OKZBNKHCSA-N 1 3 319.493 2.075 20 0 DEADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](C[C@H]3CC=CCC3)C[C@H]2CC1 ZINC001275040872 1091527095 /nfs/dbraw/zinc/52/70/95/1091527095.db2.gz VNHFNHYYHYXGLP-OKZBNKHCSA-N 1 3 319.493 2.075 20 0 DEADHO CC(C)=CCC[C@H](C)CN1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001275058477 1091534995 /nfs/dbraw/zinc/53/49/95/1091534995.db2.gz UCTBSKGUOGTMPJ-GBESFXJTSA-N 1 3 323.525 2.316 20 0 DEADHO Cn1cncc1C[NH2+][C@@]12CC[C@@](NCc3ccc[nH]3)(C1)CCC2 ZINC001276144781 1091594213 /nfs/dbraw/zinc/59/42/13/1091594213.db2.gz GHUDAEFTOIRANR-MSOLQXFVSA-N 1 3 313.449 2.473 20 0 DEADHO Cc1nc[nH]c1C[N@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001276207548 1091691503 /nfs/dbraw/zinc/69/15/03/1091691503.db2.gz ZDANJQBFMVSLHO-IYBDPMFKSA-N 1 3 313.449 2.390 20 0 DEADHO Cc1nc[nH]c1C[N@@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001276207548 1091691510 /nfs/dbraw/zinc/69/15/10/1091691510.db2.gz ZDANJQBFMVSLHO-IYBDPMFKSA-N 1 3 313.449 2.390 20 0 DEADHO CN(CC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)CC(C)(C)C ZINC001411612642 1091924356 /nfs/dbraw/zinc/92/43/56/1091924356.db2.gz NJNVRCJDZOSULH-QGZVFWFLSA-N 1 3 319.493 2.253 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)[C@H]2CCC[N@H+](CCC3CC3)CC2)C1 ZINC000948767654 1091926006 /nfs/dbraw/zinc/92/60/06/1091926006.db2.gz YLVYWELIBDKCNC-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)[C@H]2CCC[N@@H+](CCC3CC3)CC2)C1 ZINC000948767654 1091926012 /nfs/dbraw/zinc/92/60/12/1091926012.db2.gz YLVYWELIBDKCNC-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CCCN1C ZINC001273909524 1092499421 /nfs/dbraw/zinc/49/94/21/1092499421.db2.gz HOKGCQIFGIWZRH-RTQGNFRKSA-N 1 3 315.461 2.412 20 0 DEADHO C[C@H](CC[NH+](C)C)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC001412043680 1092502100 /nfs/dbraw/zinc/50/21/00/1092502100.db2.gz LSYANGUJUCMNCP-BFYDXBDKSA-N 1 3 305.466 2.382 20 0 DEADHO CC(C)(C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC2)C1)N1CCCC1 ZINC001488844858 1092775467 /nfs/dbraw/zinc/77/54/67/1092775467.db2.gz ZBIDUIAVLPRJPI-WKILWMFISA-N 1 3 307.482 2.145 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001488961218 1092828864 /nfs/dbraw/zinc/82/88/64/1092828864.db2.gz GDGWTLBRTAIFPE-ZWKOTPCHSA-N 1 3 317.477 2.403 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2CC23CC[NH+](CCC2CC2)CC3)CCC1 ZINC001490594426 1093435300 /nfs/dbraw/zinc/43/53/00/1093435300.db2.gz DVMLQLPITDTKBC-INIZCTEOSA-N 1 3 319.493 2.242 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2)[C@H]1C ZINC001369385024 1148918593 /nfs/dbraw/zinc/91/85/93/1148918593.db2.gz AHGFIMHKRCOSHF-SJLPKXTDSA-N 1 3 317.477 2.416 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@]2(C1)CCC[N@H+](CCCF)C2 ZINC001421031702 1171440946 /nfs/dbraw/zinc/44/09/46/1171440946.db2.gz QKGWTELMHUUKES-QGZVFWFLSA-N 1 3 313.461 2.002 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCCF)C2 ZINC001421031702 1171440952 /nfs/dbraw/zinc/44/09/52/1171440952.db2.gz QKGWTELMHUUKES-QGZVFWFLSA-N 1 3 313.461 2.002 20 0 DEADHO [NH3+]Cc1cncc(-c2cccc3cc([C@@H]4CNCCO4)cn32)c1 ZINC001239804683 1139123037 /nfs/dbraw/zinc/12/30/37/1139123037.db2.gz UTEXBEPPNQAYHQ-SFHVURJKSA-N 1 3 308.385 2.121 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001491685168 1140250630 /nfs/dbraw/zinc/25/06/30/1140250630.db2.gz YAPPFOPPKQENCV-AWEZNQCLSA-N 1 3 317.433 2.367 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001491752193 1140295758 /nfs/dbraw/zinc/29/57/58/1140295758.db2.gz UCRREFXAVKTUBJ-WBVHZDCISA-N 1 3 307.482 2.099 20 0 DEADHO CCCN(C)CC(=O)N1CCC2(C[NH+](CC=C(C)C)C2)CC1 ZINC001319407858 1140565960 /nfs/dbraw/zinc/56/59/60/1140565960.db2.gz OXRIUFCYTBHWQP-UHFFFAOYSA-N 1 3 307.482 2.219 20 0 DEADHO C[C@@H](F)CC[NH2+]C[C@@H](C)N(C)C(=O)CN(C)CC(C)(C)C ZINC001319534007 1140611041 /nfs/dbraw/zinc/61/10/41/1140611041.db2.gz NETFCMYLSBJICB-ZIAGYGMSSA-N 1 3 303.466 2.149 20 0 DEADHO CCCC[C@@H](CC)COC[C@H](O)CNCC[C@H]1CCC[NH2+]1 ZINC001245992158 1140842890 /nfs/dbraw/zinc/84/28/90/1140842890.db2.gz FUANZXHVWQOXEM-BRWVUGGUSA-N 1 3 300.487 2.312 20 0 DEADHO CC[C@@H]([NH3+])CCNC[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001246000629 1140844207 /nfs/dbraw/zinc/84/42/07/1140844207.db2.gz LPHDHMAUCYNLIT-HZPDHXFCSA-N 1 3 308.466 2.441 20 0 DEADHO C[C@H]1CC[C@H](N[C@@H]2CCC(=O)N(Cc3ccccc3)CC2)C[NH2+]1 ZINC001246084589 1140858382 /nfs/dbraw/zinc/85/83/82/1140858382.db2.gz KUKWAGHDIPSUAA-JQHSSLGASA-N 1 3 315.461 2.298 20 0 DEADHO C[C@H]1C[C@H](N[C@H]2CCNC[C@@H]2F)CC[N@@H+]1Cc1ccccc1 ZINC001246092871 1140860387 /nfs/dbraw/zinc/86/03/87/1140860387.db2.gz QIUPHQFNXRLAEX-RANZSIQMSA-N 1 3 305.441 2.329 20 0 DEADHO C[C@H]1C[C@H](N[C@H]2CCNC[C@@H]2F)CC[N@H+]1Cc1ccccc1 ZINC001246092871 1140860388 /nfs/dbraw/zinc/86/03/88/1140860388.db2.gz QIUPHQFNXRLAEX-RANZSIQMSA-N 1 3 305.441 2.329 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001320463472 1140868741 /nfs/dbraw/zinc/86/87/41/1140868741.db2.gz HZTLRWOZCBKCPB-CZUORRHYSA-N 1 3 309.429 2.150 20 0 DEADHO FC1(F)CNCC[C@H]1CN[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246228689 1140875334 /nfs/dbraw/zinc/87/53/34/1140875334.db2.gz IUWZLYDLKFQMOU-UONOGXRCSA-N 1 3 301.425 2.276 20 0 DEADHO Fc1ccc(F)c(CN2CCC([NH2+]C3CCNCC3)CC2)c1 ZINC001246356807 1140887604 /nfs/dbraw/zinc/88/76/04/1140887604.db2.gz WDQCLBQXNKDVAN-UHFFFAOYSA-N 1 3 309.404 2.271 20 0 DEADHO C[C@H]1CC[C@H](NCC2CCN(C(=O)c3ccccc3)CC2)C[NH2+]1 ZINC001246369940 1140889271 /nfs/dbraw/zinc/88/92/71/1140889271.db2.gz WCTFTTPTJDAYSE-YJBOKZPZSA-N 1 3 315.461 2.269 20 0 DEADHO FC(F)(F)[C@@H]1C[C@@H]([NH2+]C2(CC3CC3)CCNCC2)CCN1 ZINC001246379751 1140891266 /nfs/dbraw/zinc/89/12/66/1140891266.db2.gz BXWQETUKXYOUNL-STQMWFEESA-N 1 3 305.388 2.181 20 0 DEADHO C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](NC(=O)c3ccccc3)CC2)CCN1 ZINC001246446269 1140901206 /nfs/dbraw/zinc/90/12/06/1140901206.db2.gz LWZJOIMYYBJQFC-LEUOFYLZSA-N 1 3 315.461 2.458 20 0 DEADHO CCN(CC[NH2+]CCC1=CCCCC1)C(=O)[C@H]1CCCN1C ZINC001320810658 1140933830 /nfs/dbraw/zinc/93/38/30/1140933830.db2.gz BGNLTHAXLUWHDV-QGZVFWFLSA-N 1 3 307.482 2.409 20 0 DEADHO N[C@H]1CCC[N@@H+]([C@H]2CCC(=O)N(Cc3ccccc3)CC2)CC1 ZINC001246545340 1140951433 /nfs/dbraw/zinc/95/14/33/1140951433.db2.gz JFBYYRATKMRWKO-ROUUACIJSA-N 1 3 315.461 2.381 20 0 DEADHO N[C@H]1CCC[N@H+]([C@H]2CCC(=O)N(Cc3ccccc3)CC2)CC1 ZINC001246545340 1140951444 /nfs/dbraw/zinc/95/14/44/1140951444.db2.gz JFBYYRATKMRWKO-ROUUACIJSA-N 1 3 315.461 2.381 20 0 DEADHO COC(=O)c1ccc(C[C@@H](C)[N@@H+]2CCCC[C@@H](CN)C2)cc1 ZINC001246579595 1140980871 /nfs/dbraw/zinc/98/08/71/1140980871.db2.gz CGZNTUUCQXVVIA-ZBFHGGJFSA-N 1 3 304.434 2.465 20 0 DEADHO COC(=O)c1ccc(C[C@@H](C)[N@H+]2CCCC[C@@H](CN)C2)cc1 ZINC001246579595 1140980902 /nfs/dbraw/zinc/98/09/02/1140980902.db2.gz CGZNTUUCQXVVIA-ZBFHGGJFSA-N 1 3 304.434 2.465 20 0 DEADHO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246617411 1141006040 /nfs/dbraw/zinc/00/60/40/1141006040.db2.gz CESDYBREHBDGNI-HRCADAONSA-N 1 3 302.418 2.420 20 0 DEADHO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246617411 1141006051 /nfs/dbraw/zinc/00/60/51/1141006051.db2.gz CESDYBREHBDGNI-HRCADAONSA-N 1 3 302.418 2.420 20 0 DEADHO CC[C@@H](Cc1ccc2c(c1)OCO2)N1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246617411 1141006065 /nfs/dbraw/zinc/00/60/65/1141006065.db2.gz CESDYBREHBDGNI-HRCADAONSA-N 1 3 302.418 2.420 20 0 DEADHO COC(=O)[C@@H]1CCN([C@H]2CC[NH2+][C@@H](C)C2)[C@H]1c1ccccc1 ZINC001246679412 1141033188 /nfs/dbraw/zinc/03/31/88/1141033188.db2.gz WREXALDGGHVLQH-LLLHUVSDSA-N 1 3 302.418 2.363 20 0 DEADHO C[C@H]1C[C@@H]([N@@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)CCN1 ZINC001246727238 1141047395 /nfs/dbraw/zinc/04/73/95/1141047395.db2.gz VTDHUJCPTQNEPR-PFPDTZPXSA-N 1 3 308.466 2.175 20 0 DEADHO C[C@H]1C[C@@H]([N@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)CCN1 ZINC001246727238 1141047403 /nfs/dbraw/zinc/04/74/03/1141047403.db2.gz VTDHUJCPTQNEPR-PFPDTZPXSA-N 1 3 308.466 2.175 20 0 DEADHO c1coc(CN2C[C@H]3C[C@@H](C2)CN(C2C[C@H]4CC[C@@H](C2)[NH2+]4)C3)c1 ZINC001246759596 1141051536 /nfs/dbraw/zinc/05/15/36/1141051536.db2.gz SCMBPELJLAOKFR-FVGDGBDSSA-N 1 3 315.461 2.316 20 0 DEADHO C(OC[C@]12COC[C@H]1CN([C@H]1CCCC[NH2+]C1)C2)C1CCCC1 ZINC001246755103 1141052537 /nfs/dbraw/zinc/05/25/37/1141052537.db2.gz GZNHYOJCXGLHGD-CEXWTWQISA-N 1 3 322.493 2.284 20 0 DEADHO C(OC[C@]12COC[C@H]1C[N@@H+]([C@H]1CCCCNC1)C2)C1CCCC1 ZINC001246755103 1141052545 /nfs/dbraw/zinc/05/25/45/1141052545.db2.gz GZNHYOJCXGLHGD-CEXWTWQISA-N 1 3 322.493 2.284 20 0 DEADHO C(OC[C@]12COC[C@H]1C[N@H+]([C@H]1CCCCNC1)C2)C1CCCC1 ZINC001246755103 1141052553 /nfs/dbraw/zinc/05/25/53/1141052553.db2.gz GZNHYOJCXGLHGD-CEXWTWQISA-N 1 3 322.493 2.284 20 0 DEADHO C[C@@H]1C[C@@H](N2CCC3(CC2)C(=O)N[C@H]3c2ccccc2)CC[NH2+]1 ZINC001246774310 1141056023 /nfs/dbraw/zinc/05/60/23/1141056023.db2.gz LTDFECBPWSABRY-PVAVHDDUSA-N 1 3 313.445 2.080 20 0 DEADHO C[C@@H]1C[C@@H]([NH+]2CCC3(CC2)C(=O)N[C@H]3c2ccccc2)CCN1 ZINC001246774310 1141056032 /nfs/dbraw/zinc/05/60/32/1141056032.db2.gz LTDFECBPWSABRY-PVAVHDDUSA-N 1 3 313.445 2.080 20 0 DEADHO Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCN(C(C)C)C[C@H]1C ZINC001251747842 1142502392 /nfs/dbraw/zinc/50/23/92/1142502392.db2.gz BFGNVHBRIWCWJH-KURKYZTESA-N 1 3 320.477 2.443 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]C[C@H](O)Cc2ccccc2)C[C@H](C)O1 ZINC001338464069 1142857901 /nfs/dbraw/zinc/85/79/01/1142857901.db2.gz YZXCGXUTNFVHBE-ZIFCJYIRSA-N 1 3 320.477 2.069 20 0 DEADHO NCCC[NH2+]CCCCn1cc(-c2ccc3ncccc3c2)nn1 ZINC001254162817 1143050917 /nfs/dbraw/zinc/05/09/17/1143050917.db2.gz HMUISSGEFTXCCK-UHFFFAOYSA-N 1 3 324.432 2.212 20 0 DEADHO CCCN1C[C@H]2C[NH+](C3CCC(C(=O)OCC)CC3)C[C@@H]2C1 ZINC001255264637 1143529886 /nfs/dbraw/zinc/52/98/86/1143529886.db2.gz WQBYQWPBZMPLEM-YZUHTNEWSA-N 1 3 308.466 2.382 20 0 DEADHO Cn1cc(CN2CCCC23CC[NH+]([C@@H]2CCSC2)CC3)cn1 ZINC001255283451 1143536969 /nfs/dbraw/zinc/53/69/69/1143536969.db2.gz DOSZZGMKBWADIO-MRXNPFEDSA-N 1 3 320.506 2.356 20 0 DEADHO CN1CC[C@@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001255419643 1143610584 /nfs/dbraw/zinc/61/05/84/1143610584.db2.gz AYSCMUOOCXLWDO-QGZVFWFLSA-N 1 3 305.441 2.331 20 0 DEADHO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CCCCCN(C)C ZINC001255798657 1143807038 /nfs/dbraw/zinc/80/70/38/1143807038.db2.gz BUJIPHSGIABJKS-HNNXBMFYSA-N 1 3 312.479 2.170 20 0 DEADHO CC(C)(C)[NH+]1CCC(N[C@H]2CCCN(c3cnccn3)C2)CC1 ZINC001256567331 1143854433 /nfs/dbraw/zinc/85/44/33/1143854433.db2.gz UTKIXPQADLWUMM-INIZCTEOSA-N 1 3 317.481 2.298 20 0 DEADHO CC(C)(C)N1CCC([N@@H+]2CCC[C@@]3(CCCC(=O)N3)C2)CC1 ZINC001256570252 1143854537 /nfs/dbraw/zinc/85/45/37/1143854537.db2.gz COCXZWVDXSVYKO-SFHVURJKSA-N 1 3 307.482 2.384 20 0 DEADHO CC(C)(C)N1CCC([N@H+]2CCC[C@@]3(CCCC(=O)N3)C2)CC1 ZINC001256570252 1143854539 /nfs/dbraw/zinc/85/45/39/1143854539.db2.gz COCXZWVDXSVYKO-SFHVURJKSA-N 1 3 307.482 2.384 20 0 DEADHO c1cc(CN2CCC(N3CC[C@@H]([NH+]4CCCC4)C3)CC2)ccn1 ZINC001256591920 1143856027 /nfs/dbraw/zinc/85/60/27/1143856027.db2.gz ZKHMLPRHSPPBNA-LJQANCHMSA-N 1 3 314.477 2.216 20 0 DEADHO CCOc1ccc(C[NH2+]C2CCC(N3CCOCC3)CC2)cn1 ZINC001256680116 1143861867 /nfs/dbraw/zinc/86/18/67/1143861867.db2.gz YEUITJDJMFHVQT-UHFFFAOYSA-N 1 3 319.449 2.213 20 0 DEADHO c1nc(C[NH2+]C2CCC(N3CCOCC3)CC2)c2ccccn12 ZINC001256687118 1143862350 /nfs/dbraw/zinc/86/23/50/1143862350.db2.gz NLWWNRLSRMMUNW-UHFFFAOYSA-N 1 3 314.433 2.067 20 0 DEADHO COCCN1CCC([NH2+][C@@H]2CCCN(C3CCCC3)C2)CC1 ZINC001256910322 1143874766 /nfs/dbraw/zinc/87/47/66/1143874766.db2.gz YXBYAVAECVZGGW-QGZVFWFLSA-N 1 3 309.498 2.094 20 0 DEADHO CC(C)[NH+]1CCC(N2CCC3(C[C@@H]3C(=O)N(C)C)CC2)CC1 ZINC001257217673 1143894175 /nfs/dbraw/zinc/89/41/75/1143894175.db2.gz VSTJQZHWIRRFNA-MRXNPFEDSA-N 1 3 307.482 2.050 20 0 DEADHO CCC[C@@H](CC)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001257263506 1143895984 /nfs/dbraw/zinc/89/59/84/1143895984.db2.gz SDLDNOHZXDANPA-NCOADZHNSA-N 1 3 305.470 2.251 20 0 DEADHO CCC[C@@H](CC)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001257263506 1143895985 /nfs/dbraw/zinc/89/59/85/1143895985.db2.gz SDLDNOHZXDANPA-NCOADZHNSA-N 1 3 305.470 2.251 20 0 DEADHO CCC[C@@H](C)N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001257321071 1143898263 /nfs/dbraw/zinc/89/82/63/1143898263.db2.gz JQKTWQZBTKRGHE-OAHLLOKOSA-N 1 3 308.470 2.356 20 0 DEADHO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]CC[C@H](C)N(C)C)c1 ZINC001262565198 1144319534 /nfs/dbraw/zinc/31/95/34/1144319534.db2.gz FTCBXCOAONFALN-KBPBESRZSA-N 1 3 314.857 2.318 20 0 DEADHO C[NH2+]CCCCC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC001263121278 1144357292 /nfs/dbraw/zinc/35/72/92/1144357292.db2.gz SXSZEINNBUXQCN-OAHLLOKOSA-N 1 3 318.465 2.113 20 0 DEADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C[NH2+]CCC2CC2)C1 ZINC001264552078 1144565533 /nfs/dbraw/zinc/56/55/33/1144565533.db2.gz JBXVNESROSXQNL-QAPCUYQASA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]C/C=C/Cl)N(C)C ZINC001264564402 1144568408 /nfs/dbraw/zinc/56/84/08/1144568408.db2.gz QUINLGQBQBVESR-IXIDLXPLSA-N 1 3 315.889 2.296 20 0 DEADHO CC(C)=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001264743008 1144604199 /nfs/dbraw/zinc/60/41/99/1144604199.db2.gz ONGZNSWODAMAEW-DLBZAZTESA-N 1 3 307.482 2.360 20 0 DEADHO CC(C)=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001264743008 1144604208 /nfs/dbraw/zinc/60/42/08/1144604208.db2.gz ONGZNSWODAMAEW-DLBZAZTESA-N 1 3 307.482 2.360 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[N@H+](C)CC2=CCCCC2)C1 ZINC001265037121 1144630005 /nfs/dbraw/zinc/63/00/05/1144630005.db2.gz QIIKOUFKMOUXRA-INIZCTEOSA-N 1 3 307.482 2.267 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[N@@H+](C)CC2=CCCCC2)C1 ZINC001265037121 1144630008 /nfs/dbraw/zinc/63/00/08/1144630008.db2.gz QIIKOUFKMOUXRA-INIZCTEOSA-N 1 3 307.482 2.267 20 0 DEADHO CC/C=C/CCN1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001265292683 1144685057 /nfs/dbraw/zinc/68/50/57/1144685057.db2.gz QQJDEHSJSXOUHZ-QDLOVBKTSA-N 1 3 305.466 2.162 20 0 DEADHO CCCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001266076049 1144803096 /nfs/dbraw/zinc/80/30/96/1144803096.db2.gz VGHHJKAEMSNRIO-HUUCEWRRSA-N 1 3 306.454 2.468 20 0 DEADHO CCC/C=C\CC[N@H+]1C[C@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2C1 ZINC001279410244 1144822249 /nfs/dbraw/zinc/82/22/49/1144822249.db2.gz UOVJCTUKVLYPNV-OHANDMKSSA-N 1 3 321.509 2.463 20 0 DEADHO CCC/C=C\CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2C1 ZINC001279410244 1144822250 /nfs/dbraw/zinc/82/22/50/1144822250.db2.gz UOVJCTUKVLYPNV-OHANDMKSSA-N 1 3 321.509 2.463 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001280207980 1144833774 /nfs/dbraw/zinc/83/37/74/1144833774.db2.gz QGWIEBJEJCCJCJ-CVEARBPZSA-N 1 3 320.481 2.463 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@H+](CCCCCF)CC1 ZINC001280775160 1144854496 /nfs/dbraw/zinc/85/44/96/1144854496.db2.gz ATORDPDDSNXMIA-INIZCTEOSA-N 1 3 315.477 2.437 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@@H+](CCCCCF)CC1 ZINC001280775160 1144854498 /nfs/dbraw/zinc/85/44/98/1144854498.db2.gz ATORDPDDSNXMIA-INIZCTEOSA-N 1 3 315.477 2.437 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC001364205761 1145077261 /nfs/dbraw/zinc/07/72/61/1145077261.db2.gz UZGYOYSRYOEVCX-OAGGEKHMSA-N 1 3 310.486 2.033 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC001364205761 1145077264 /nfs/dbraw/zinc/07/72/64/1145077264.db2.gz UZGYOYSRYOEVCX-OAGGEKHMSA-N 1 3 310.486 2.033 20 0 DEADHO CC(C)=CCN1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001282832515 1145173473 /nfs/dbraw/zinc/17/34/73/1145173473.db2.gz KBLSMYMKDXDQJX-CVEARBPZSA-N 1 3 309.498 2.365 20 0 DEADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@H]1CCC[C@@]3(CCOC3)O1)C2 ZINC001364424049 1145242533 /nfs/dbraw/zinc/24/25/33/1145242533.db2.gz BODXAVQEMJLFHR-KURKYZTESA-N 1 3 308.466 2.132 20 0 DEADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@H]1CCC[C@@]3(CCOC3)O1)C2 ZINC001364424049 1145242544 /nfs/dbraw/zinc/24/25/44/1145242544.db2.gz BODXAVQEMJLFHR-KURKYZTESA-N 1 3 308.466 2.132 20 0 DEADHO CC[NH+](CC)CC[C@@H](C)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC001364606237 1145373823 /nfs/dbraw/zinc/37/38/23/1145373823.db2.gz QNWDHJNWDMSDSF-NVXWUHKLSA-N 1 3 324.513 2.423 20 0 DEADHO CC[NH+]1CCC(CN2CCNC(=O)C[C@H]2c2ccccc2)CC1 ZINC001364676513 1145451654 /nfs/dbraw/zinc/45/16/54/1145451654.db2.gz MRLCPMWTGZVENA-SFHVURJKSA-N 1 3 315.461 2.282 20 0 DEADHO CN(C)C1(C(=O)N(C)[C@@H](C[NH2+]CCC2CC2)C2CC2)CCC1 ZINC001283510181 1145485734 /nfs/dbraw/zinc/48/57/34/1145485734.db2.gz OUJDZKNURSXVMY-INIZCTEOSA-N 1 3 307.482 2.097 20 0 DEADHO CC[NH+]1CCC(CN2CCc3cc(O)c(OC)cc3C2)CC1 ZINC001364753932 1145540181 /nfs/dbraw/zinc/54/01/81/1145540181.db2.gz YHJZWVIOFCNEBG-UHFFFAOYSA-N 1 3 304.434 2.491 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001491855877 1146922498 /nfs/dbraw/zinc/92/24/98/1146922498.db2.gz LILZSAKXMGKJGH-SFHVURJKSA-N 1 3 317.477 2.273 20 0 DEADHO Cc1ccc(C)c(CN2CCC[C@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001365943548 1146934924 /nfs/dbraw/zinc/93/49/24/1146934924.db2.gz UKHMAQYBFYTQOR-SFHVURJKSA-N 1 3 317.477 2.336 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@@H](NCc1ccccc1Cl)C1CC1 ZINC001366063711 1147034685 /nfs/dbraw/zinc/03/46/85/1147034685.db2.gz OYGMNNMUZZDTII-MRXNPFEDSA-N 1 3 323.868 2.276 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H](C[N@H+](C)CCCF)C1)N(C)C ZINC001366069587 1147039209 /nfs/dbraw/zinc/03/92/09/1147039209.db2.gz CLNWJIVNMBUVJK-HZPDHXFCSA-N 1 3 315.477 2.103 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H](C[N@@H+](C)CCCF)C1)N(C)C ZINC001366069587 1147039217 /nfs/dbraw/zinc/03/92/17/1147039217.db2.gz CLNWJIVNMBUVJK-HZPDHXFCSA-N 1 3 315.477 2.103 20 0 DEADHO CC[C@H](F)C[N@H+](C)C[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001366071766 1147039763 /nfs/dbraw/zinc/03/97/63/1147039763.db2.gz BYOYIJHMZWBAQQ-HOTGVXAUSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@H](F)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001366071766 1147039769 /nfs/dbraw/zinc/03/97/69/1147039769.db2.gz BYOYIJHMZWBAQQ-HOTGVXAUSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)c1ccccc1 ZINC001366286455 1147193389 /nfs/dbraw/zinc/19/33/89/1147193389.db2.gz LTRKCMJWRMOUPO-HUUCEWRRSA-N 1 3 303.450 2.326 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001366288256 1147194196 /nfs/dbraw/zinc/19/41/96/1147194196.db2.gz PNGDHGMEUMYMIO-OAHLLOKOSA-N 1 3 303.450 2.074 20 0 DEADHO Cc1ccccc1C[N@@H+](C)CCNC(=O)CN(C)C1CCC1 ZINC001492279512 1147198079 /nfs/dbraw/zinc/19/80/79/1147198079.db2.gz GPJIISSHSPSELD-UHFFFAOYSA-N 1 3 303.450 2.027 20 0 DEADHO Cc1ccccc1C[N@H+](C)CCNC(=O)CN(C)C1CCC1 ZINC001492279512 1147198083 /nfs/dbraw/zinc/19/80/83/1147198083.db2.gz GPJIISSHSPSELD-UHFFFAOYSA-N 1 3 303.450 2.027 20 0 DEADHO CCc1cccc(C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001366321216 1147212617 /nfs/dbraw/zinc/21/26/17/1147212617.db2.gz HPDUKULBJPIJAO-CRAIPNDOSA-N 1 3 319.493 2.430 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001366352725 1147229940 /nfs/dbraw/zinc/22/99/40/1147229940.db2.gz NNKCTRYEZBEFFU-BBRMVZONSA-N 1 3 309.429 2.091 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H](C)NCc1ccsc1)[NH+]1CCCC1 ZINC001366363871 1147235345 /nfs/dbraw/zinc/23/53/45/1147235345.db2.gz GVZKPVQVEPQAAQ-ZBFHGGJFSA-N 1 3 323.506 2.463 20 0 DEADHO CC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001366480994 1147303429 /nfs/dbraw/zinc/30/34/29/1147303429.db2.gz UFRRVRYQNXIQDP-CZUORRHYSA-N 1 3 309.429 2.150 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[N@@H+](C)CC[C@@H](C)F ZINC001366569552 1147361841 /nfs/dbraw/zinc/36/18/41/1147361841.db2.gz FMCAYLWFGNOVLU-HUUCEWRRSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[N@H+](C)CC[C@@H](C)F ZINC001366569552 1147361850 /nfs/dbraw/zinc/36/18/50/1147361850.db2.gz FMCAYLWFGNOVLU-HUUCEWRRSA-N 1 3 301.450 2.045 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1)N(C)C ZINC001366701219 1147494748 /nfs/dbraw/zinc/49/47/48/1147494748.db2.gz JNRPMNQVJABORV-DOTOQJQBSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1)N(C)C ZINC001366701219 1147494750 /nfs/dbraw/zinc/49/47/50/1147494750.db2.gz JNRPMNQVJABORV-DOTOQJQBSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H](CN(C)C/C=C\Cl)C1)[NH+](C)C ZINC001366876064 1147602695 /nfs/dbraw/zinc/60/26/95/1147602695.db2.gz GZGKBKBVPQGRPP-XCRGBYMUSA-N 1 3 315.889 2.105 20 0 DEADHO CC[C@@H](C(=O)NCC1C[NH+](CC2CCC3(CC3)CC2)C1)N(C)C ZINC001366979114 1147627978 /nfs/dbraw/zinc/62/79/78/1147627978.db2.gz XOIXITUPRYUULZ-KRWDZBQOSA-N 1 3 321.509 2.345 20 0 DEADHO CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001366995719 1147630041 /nfs/dbraw/zinc/63/00/41/1147630041.db2.gz RTKNBJUVYXVIBQ-IRXDYDNUSA-N 1 3 307.482 2.336 20 0 DEADHO CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001366995719 1147630042 /nfs/dbraw/zinc/63/00/42/1147630042.db2.gz RTKNBJUVYXVIBQ-IRXDYDNUSA-N 1 3 307.482 2.336 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)CCC[NH+](C)C)C2)c(C)c1 ZINC001367032080 1147636880 /nfs/dbraw/zinc/63/68/80/1147636880.db2.gz HCQIGSRHRRBDEZ-GOSISDBHSA-N 1 3 317.477 2.336 20 0 DEADHO CC[C@H](CNC(=O)[C@@H](CC)N(C)C)[NH2+]Cc1cc(C)ccc1F ZINC001367107515 1147650831 /nfs/dbraw/zinc/65/08/31/1147650831.db2.gz UUERVMXYCWHLSU-NVXWUHKLSA-N 1 3 323.456 2.459 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CC3=CCCCC3)C2)CCC1 ZINC001317113696 1147661191 /nfs/dbraw/zinc/66/11/91/1147661191.db2.gz PZDJANPSOQNCSK-IYBDPMFKSA-N 1 3 305.466 2.208 20 0 DEADHO CC[C@@H](C(=O)NCCC1CC[NH+](C/C=C/Cl)CC1)N(C)C ZINC001367219803 1147665776 /nfs/dbraw/zinc/66/57/76/1147665776.db2.gz UGJQWPZFQIGPDG-BOSPYUDASA-N 1 3 315.889 2.297 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccsc1 ZINC001367242417 1147668508 /nfs/dbraw/zinc/66/85/08/1147668508.db2.gz JISXMVJSJDWQGK-ZBFHGGJFSA-N 1 3 323.506 2.463 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]CC1CCCCC1 ZINC001367268583 1147672049 /nfs/dbraw/zinc/67/20/49/1147672049.db2.gz BHBJANCSLRBXTJ-CVEARBPZSA-N 1 3 309.498 2.250 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1cccc(C)c1)N(C)C ZINC001367276055 1147672843 /nfs/dbraw/zinc/67/28/43/1147672843.db2.gz ZXXFZWVPYDULBM-WBVHZDCISA-N 1 3 305.466 2.177 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H](C)CNC/C(Cl)=C\Cl)[NH+](C)C ZINC001367296257 1147674961 /nfs/dbraw/zinc/67/49/61/1147674961.db2.gz YCIJNWFRIWDTSO-YPCNAFTDSA-N 1 3 324.296 2.234 20 0 DEADHO CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001317323863 1147690843 /nfs/dbraw/zinc/69/08/43/1147690843.db2.gz VDUPKKSDQIAYQY-KJPDOMRESA-N 1 3 307.482 2.265 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)CC[N@H+](C)CCC2CCCC2)C1 ZINC001367534087 1147710790 /nfs/dbraw/zinc/71/07/90/1147710790.db2.gz JNUSYBAULWFAHW-INIZCTEOSA-N 1 3 309.498 2.299 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)CC[N@@H+](C)CCC2CCCC2)C1 ZINC001367534087 1147710791 /nfs/dbraw/zinc/71/07/91/1147710791.db2.gz JNUSYBAULWFAHW-INIZCTEOSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccccc1 ZINC001367557598 1147715974 /nfs/dbraw/zinc/71/59/74/1147715974.db2.gz ACNOEGWJHMESKI-ZWKOTPCHSA-N 1 3 317.477 2.401 20 0 DEADHO CCN(CC[NH2+][C@@H](C)c1ccc(F)cc1)C(=O)CN1CCCC1 ZINC001367687541 1147727182 /nfs/dbraw/zinc/72/71/82/1147727182.db2.gz JREQOHCSVMINMO-HNNXBMFYSA-N 1 3 321.440 2.421 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)c1cccc(OC)c1)N(C)C ZINC001367699729 1147729095 /nfs/dbraw/zinc/72/90/95/1147729095.db2.gz QKZURWQVEYWTEE-KEYYUXOJSA-N 1 3 321.465 2.191 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)cc1F ZINC001367706940 1147730246 /nfs/dbraw/zinc/73/02/46/1147730246.db2.gz DJJVBAZFQNENRL-RHSMWYFYSA-N 1 3 323.456 2.315 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@@H]1CCc2ccccc21 ZINC001367707530 1147730647 /nfs/dbraw/zinc/73/06/47/1147730647.db2.gz HWLGJOCTDCMAHB-RHSMWYFYSA-N 1 3 303.450 2.110 20 0 DEADHO Cc1ccc(F)c(CNC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001367733315 1147734878 /nfs/dbraw/zinc/73/48/78/1147734878.db2.gz ZOFNEOSMVFUTNI-SQWLQELKSA-N 1 3 321.440 2.069 20 0 DEADHO Cc1ccc(F)c(CNC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001367733315 1147734879 /nfs/dbraw/zinc/73/48/79/1147734879.db2.gz ZOFNEOSMVFUTNI-SQWLQELKSA-N 1 3 321.440 2.069 20 0 DEADHO C[C@H](CN(C)Cc1ccc2cc[nH]c2c1)NC(=O)CC[NH+](C)C ZINC001367838690 1147757328 /nfs/dbraw/zinc/75/73/28/1147757328.db2.gz XDLPZYFZBCFGIE-CQSZACIVSA-N 1 3 316.449 2.056 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)cc1 ZINC001421765705 1171978066 /nfs/dbraw/zinc/97/80/66/1171978066.db2.gz JXEHFUFCGGIESY-CQSZACIVSA-N 1 3 309.429 2.008 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CCCC2)C1 ZINC001326223825 1148059924 /nfs/dbraw/zinc/05/99/24/1148059924.db2.gz JTILKWVVBNFKJG-SJORKVTESA-N 1 3 307.482 2.099 20 0 DEADHO Cc1ccc(CN2CC[C@](C)(NC(=O)CC[NH+](C)C)C2)cc1 ZINC001368163316 1148294742 /nfs/dbraw/zinc/29/47/42/1148294742.db2.gz RMSMFKSLLOUSJM-SFHVURJKSA-N 1 3 303.450 2.027 20 0 DEADHO C[C@@H](Cn1cccn1)NCc1ccccc1OCC[NH+](C)C ZINC000138249642 282099244 /nfs/dbraw/zinc/09/92/44/282099244.db2.gz LEMDJOWZUZJKGY-HNNXBMFYSA-N 1 3 302.422 2.002 20 0 DEADHO Cc1cc(C[NH3+])cc(NC(=O)N[C@H](C)CN2CCCCC2)c1 ZINC000424446628 230625159 /nfs/dbraw/zinc/62/51/59/230625159.db2.gz RYEHLONQMWUVIM-CQSZACIVSA-N 1 3 304.438 2.450 20 0 DEADHO CC(C)N1CCN(CCC[NH2+][C@@H](CCO)c2ccccc2)CC1 ZINC000278614484 214276001 /nfs/dbraw/zinc/27/60/01/214276001.db2.gz MTJANVWMPCRPFQ-IBGZPJMESA-N 1 3 319.493 2.116 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612989608 361974320 /nfs/dbraw/zinc/97/43/20/361974320.db2.gz YNRILXHXWJLLGU-INIZCTEOSA-N 1 3 322.497 2.036 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000295008792 529464548 /nfs/dbraw/zinc/46/45/48/529464548.db2.gz LZCTXUYTISHLEG-FGTMMUONSA-N 1 3 311.429 2.344 20 0 DEADHO CC[C@H](C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)[NH+](C)C ZINC000298122571 529613065 /nfs/dbraw/zinc/61/30/65/529613065.db2.gz AZLXVGNLPXIZJZ-LSDHHAIUSA-N 1 3 311.857 2.399 20 0 DEADHO Cc1cccc([C@@H]2C[C@H]2C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000625289660 365716544 /nfs/dbraw/zinc/71/65/44/365716544.db2.gz SJAFCCGVDPEGSE-ZWKOTPCHSA-N 1 3 317.477 2.050 20 0 DEADHO C[C@H](NC(=O)N1CCCC[C@H]1C[NH3+])[C@@H](c1ccccc1)N(C)C ZINC000418193766 299090593 /nfs/dbraw/zinc/09/05/93/299090593.db2.gz ZTNSKYZRGFZCCM-XIRDDKMYSA-N 1 3 318.465 2.201 20 0 DEADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1 ZINC000459774375 282238511 /nfs/dbraw/zinc/23/85/11/282238511.db2.gz JBHDOCPSVHRNQN-XMTFNYHQSA-N 1 3 315.461 2.184 20 0 DEADHO CN1CCN(CC[NH2+]Cc2ccc(C(C)(C)O)cc2)CC1(C)C ZINC000295601877 529772504 /nfs/dbraw/zinc/77/25/04/529772504.db2.gz CJLXAIZKIIKMBV-UHFFFAOYSA-N 1 3 319.493 2.030 20 0 DEADHO CN(C[C@H]1CCCN1C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000422039253 529966590 /nfs/dbraw/zinc/96/65/90/529966590.db2.gz RCGFMMIBYDQEHL-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C[C@H]1CCCN1C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000422039253 529966591 /nfs/dbraw/zinc/96/65/91/529966591.db2.gz RCGFMMIBYDQEHL-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000615444756 362608520 /nfs/dbraw/zinc/60/85/20/362608520.db2.gz CELCZXOJALCRGG-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000615620189 362662523 /nfs/dbraw/zinc/66/25/23/362662523.db2.gz UCVQHBSBNKBPPI-IBGZPJMESA-N 1 3 315.461 2.306 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000615620189 362662526 /nfs/dbraw/zinc/66/25/26/362662526.db2.gz UCVQHBSBNKBPPI-IBGZPJMESA-N 1 3 315.461 2.306 20 0 DEADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cccc(OC)c2F)CC1 ZINC000192679416 539708781 /nfs/dbraw/zinc/70/87/81/539708781.db2.gz HSAOLXFNJHIQAG-HNNXBMFYSA-N 1 3 323.456 2.198 20 0 DEADHO C[C@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CCN1Cc1ccccc1 ZINC000237550108 539747081 /nfs/dbraw/zinc/74/70/81/539747081.db2.gz XKYNCTHTGVYTBJ-JQHSSLGASA-N 1 3 315.461 2.237 20 0 DEADHO [NH3+]C1(CC(=O)NC[C@H](c2cccs2)N2CCCC2)CCC1 ZINC000237997680 539753209 /nfs/dbraw/zinc/75/32/09/539753209.db2.gz WNDHGFFYWZXXGS-CYBMUJFWSA-N 1 3 307.463 2.273 20 0 DEADHO [NH3+]C1(CC(=O)N[C@H](CN2CCCC2)c2ccccc2)CCC1 ZINC000238010202 539752884 /nfs/dbraw/zinc/75/28/84/539752884.db2.gz GNVULNWBADNCNZ-MRXNPFEDSA-N 1 3 301.434 2.211 20 0 DEADHO C[C@H](CNC(=O)N1CCN(C2CCCCC2)CC1)[N@H+](C)C1CC1 ZINC000138952053 186019513 /nfs/dbraw/zinc/01/95/13/186019513.db2.gz QBSVQHRJBCZHQN-OAHLLOKOSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H](CNC(=O)N1CCN(C2CCCCC2)CC1)[N@@H+](C)C1CC1 ZINC000138952053 186019515 /nfs/dbraw/zinc/01/95/15/186019515.db2.gz QBSVQHRJBCZHQN-OAHLLOKOSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)N(C)Cc1ccccc1 ZINC000237475339 186295329 /nfs/dbraw/zinc/29/53/29/186295329.db2.gz PHJKVGQNTHKEIY-QAPCUYQASA-N 1 3 303.450 2.155 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000237507354 186299025 /nfs/dbraw/zinc/29/90/25/186299025.db2.gz XLJHRWCYOOLPBP-FVQBIDKESA-N 1 3 303.450 2.139 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000237507354 186299027 /nfs/dbraw/zinc/29/90/27/186299027.db2.gz XLJHRWCYOOLPBP-FVQBIDKESA-N 1 3 303.450 2.139 20 0 DEADHO COCC[N@H+](C)CCCN[C@H]1CCc2cc(OC)c(OC)cc21 ZINC000280182406 539812884 /nfs/dbraw/zinc/81/28/84/539812884.db2.gz RRPYPNXCTOQZJJ-INIZCTEOSA-N 1 3 322.449 2.249 20 0 DEADHO COCC[N@@H+](C)CCCN[C@H]1CCc2cc(OC)c(OC)cc21 ZINC000280182406 539812886 /nfs/dbraw/zinc/81/28/86/539812886.db2.gz RRPYPNXCTOQZJJ-INIZCTEOSA-N 1 3 322.449 2.249 20 0 DEADHO C[C@@H](NC[C@H](C)C[NH+]1CCCC1)c1cccc(-n2cnnn2)c1 ZINC000320493621 539896820 /nfs/dbraw/zinc/89/68/20/539896820.db2.gz BIXLYYSVUJBLNR-LSDHHAIUSA-N 1 3 314.437 2.045 20 0 DEADHO C[C@@H]([NH2+]C[C@H](C)CN1CCCC1)c1cccc(-n2cnnn2)c1 ZINC000320493621 539896825 /nfs/dbraw/zinc/89/68/25/539896825.db2.gz BIXLYYSVUJBLNR-LSDHHAIUSA-N 1 3 314.437 2.045 20 0 DEADHO CCN1CCN(c2ccc(NC(=O)C[NH2+]C(C)C)c(C)c2)CC1 ZINC000320853153 539897220 /nfs/dbraw/zinc/89/72/20/539897220.db2.gz TZDZZPSAAOQTPS-UHFFFAOYSA-N 1 3 318.465 2.073 20 0 DEADHO C(CN1CCCN(C[C@@H]2CCCO2)CC1)C[NH+]1CCCCC1 ZINC000682027121 542252960 /nfs/dbraw/zinc/25/29/60/542252960.db2.gz HFFLLQKRDCUQCX-SFHVURJKSA-N 1 3 309.498 2.049 20 0 DEADHO CC(C)N1CCC([N@H+](C)C[C@@H](O)COc2ccccc2F)CC1 ZINC000073895160 354990611 /nfs/dbraw/zinc/99/06/11/354990611.db2.gz YWXSAFVENSYAAB-MRXNPFEDSA-N 1 3 324.440 2.370 20 0 DEADHO CC(C)N1CCC([N@@H+](C)C[C@@H](O)COc2ccccc2F)CC1 ZINC000073895160 354990616 /nfs/dbraw/zinc/99/06/16/354990616.db2.gz YWXSAFVENSYAAB-MRXNPFEDSA-N 1 3 324.440 2.370 20 0 DEADHO CC[NH+](CC)CCOC1CCN(CCc2ccccn2)CC1 ZINC000075007386 355063907 /nfs/dbraw/zinc/06/39/07/355063907.db2.gz CPKDDPWOGTULBG-UHFFFAOYSA-N 1 3 305.466 2.447 20 0 DEADHO CN1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)[C@H]2C1 ZINC000352807899 283072895 /nfs/dbraw/zinc/07/28/95/283072895.db2.gz XIEQFIMUEIYUON-RYRKJORJSA-N 1 3 319.493 2.194 20 0 DEADHO CN1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)[C@H]2C1 ZINC000352807899 283072899 /nfs/dbraw/zinc/07/28/99/283072899.db2.gz XIEQFIMUEIYUON-RYRKJORJSA-N 1 3 319.493 2.194 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCC1=CCCCC1 ZINC000077749395 355224765 /nfs/dbraw/zinc/22/47/65/355224765.db2.gz VAHWQLGMCYDBEC-UHFFFAOYSA-N 1 3 310.486 2.012 20 0 DEADHO CC(C)[NH2+]CC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000379663386 540122278 /nfs/dbraw/zinc/12/22/78/540122278.db2.gz LEXFOMZZUUVYLM-DOTOQJQBSA-N 1 3 303.450 2.154 20 0 DEADHO CCC[NH+]1CCC(NC(=O)N2CCN(C3CCCC3)CC2)CC1 ZINC000080457675 355364320 /nfs/dbraw/zinc/36/43/20/355364320.db2.gz RNUFPWUNZSHUKW-UHFFFAOYSA-N 1 3 322.497 2.131 20 0 DEADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000081475314 355431167 /nfs/dbraw/zinc/43/11/67/355431167.db2.gz LSKMCKRXXOXSPZ-GOSISDBHSA-N 1 3 315.461 2.061 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000414923633 540157676 /nfs/dbraw/zinc/15/76/76/540157676.db2.gz IUEOHWFYFRXVRY-MELADBBJSA-N 1 3 305.422 2.272 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@H](N)C2)c1 ZINC000414923633 540157680 /nfs/dbraw/zinc/15/76/80/540157680.db2.gz IUEOHWFYFRXVRY-MELADBBJSA-N 1 3 305.422 2.272 20 0 DEADHO CN(CCCNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000416880477 540163969 /nfs/dbraw/zinc/16/39/69/540163969.db2.gz YECDYGXNTUBGSZ-SJORKVTESA-N 1 3 318.465 2.078 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@](C)(O)C(C)C)CC1 ZINC000088720514 355518223 /nfs/dbraw/zinc/51/82/23/355518223.db2.gz OISMAEFNUYTNQQ-LJQANCHMSA-N 1 3 319.493 2.325 20 0 DEADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(F)cn2)CC1 ZINC000092746058 355649689 /nfs/dbraw/zinc/64/96/89/355649689.db2.gz BMHVGYAEDLGZQY-GJZGRUSLSA-N 1 3 308.445 2.145 20 0 DEADHO CCOc1ccccc1CNCCC[N@@H+]1CCCN(C)CC1 ZINC000105476945 355720287 /nfs/dbraw/zinc/72/02/87/355720287.db2.gz LWKGUGJQXFPSBQ-UHFFFAOYSA-N 1 3 305.466 2.203 20 0 DEADHO CCOc1ccccc1CNCCC[N@H+]1CCCN(C)CC1 ZINC000105476945 355720290 /nfs/dbraw/zinc/72/02/90/355720290.db2.gz LWKGUGJQXFPSBQ-UHFFFAOYSA-N 1 3 305.466 2.203 20 0 DEADHO CN1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000370488871 283124614 /nfs/dbraw/zinc/12/46/14/283124614.db2.gz VAMNESSWYJMMKZ-IAGOWNOFSA-N 1 3 307.482 2.338 20 0 DEADHO CN1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000370488871 283124616 /nfs/dbraw/zinc/12/46/16/283124616.db2.gz VAMNESSWYJMMKZ-IAGOWNOFSA-N 1 3 307.482 2.338 20 0 DEADHO CC[C@@H](N)C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000130587717 355844213 /nfs/dbraw/zinc/84/42/13/355844213.db2.gz DABIQHVSFBQOGJ-IAGOWNOFSA-N 1 3 303.450 2.094 20 0 DEADHO CC[C@@H](N)C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000130587717 355844216 /nfs/dbraw/zinc/84/42/16/355844216.db2.gz DABIQHVSFBQOGJ-IAGOWNOFSA-N 1 3 303.450 2.094 20 0 DEADHO CCC1(CC)[C@H]([NH2+]CCCN2CCCN(C)CC2)C[C@@H]1OC ZINC000181705823 356092065 /nfs/dbraw/zinc/09/20/65/356092065.db2.gz YNKCQTTWYQKFDJ-SJORKVTESA-N 1 3 311.514 2.197 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000320795068 356447200 /nfs/dbraw/zinc/44/72/00/356447200.db2.gz UOKUCYPMAFUJAL-GOSISDBHSA-N 1 3 317.477 2.135 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000320795068 356447206 /nfs/dbraw/zinc/44/72/06/356447206.db2.gz UOKUCYPMAFUJAL-GOSISDBHSA-N 1 3 317.477 2.135 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000458785790 283174778 /nfs/dbraw/zinc/17/47/78/283174778.db2.gz KVNPPNQTWJXCJB-CVEARBPZSA-N 1 3 312.502 2.231 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000458785790 283174784 /nfs/dbraw/zinc/17/47/84/283174784.db2.gz KVNPPNQTWJXCJB-CVEARBPZSA-N 1 3 312.502 2.231 20 0 DEADHO CCC[C@H]([NH3+])C(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000236867808 202043349 /nfs/dbraw/zinc/04/33/49/202043349.db2.gz XMJCDPCZIFHJIP-DLBZAZTESA-N 1 3 319.449 2.076 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H]1CCCC[NH2+]1)c1ccsc1 ZINC000236884644 202050944 /nfs/dbraw/zinc/05/09/44/202050944.db2.gz PINAVPAZZQOIFV-HUUCEWRRSA-N 1 3 309.479 2.389 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000236883529 202051427 /nfs/dbraw/zinc/05/14/27/202051427.db2.gz LYODFYVQFZUEJI-NJAFHUGGSA-N 1 3 317.477 2.340 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000236883529 202051429 /nfs/dbraw/zinc/05/14/29/202051429.db2.gz LYODFYVQFZUEJI-NJAFHUGGSA-N 1 3 317.477 2.340 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CCCC[NH3+] ZINC000382731070 356677928 /nfs/dbraw/zinc/67/79/28/356677928.db2.gz AZXITRILTBBLCG-INIZCTEOSA-N 1 3 303.450 2.238 20 0 DEADHO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(C)(C)N)cc2)CC1 ZINC000237094596 202151933 /nfs/dbraw/zinc/15/19/33/202151933.db2.gz IQSSWQUQHYNRKY-UHFFFAOYSA-N 1 3 318.465 2.140 20 0 DEADHO C[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000390755620 356709655 /nfs/dbraw/zinc/70/96/55/356709655.db2.gz VSMTWPBBGWFADY-DLBZAZTESA-N 1 3 317.477 2.403 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CC23CC[NH2+]CC3)N(C)C)cc1 ZINC000237141120 202165506 /nfs/dbraw/zinc/16/55/06/202165506.db2.gz QDRVCFIGAKEISI-IRXDYDNUSA-N 1 3 315.461 2.104 20 0 DEADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C1CC[NH2+]CC1 ZINC000237153344 202168975 /nfs/dbraw/zinc/16/89/75/202168975.db2.gz CYGMKBDMGGBBEC-UHFFFAOYSA-N 1 3 323.868 2.230 20 0 DEADHO Cc1ccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)c(OCCN(C)C)c1 ZINC000237183338 202179236 /nfs/dbraw/zinc/17/92/36/202179236.db2.gz SWJGAGHPZOXBJJ-KGLIPLIRSA-N 1 3 305.422 2.001 20 0 DEADHO CN(C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C)C1 ZINC000578451762 356819726 /nfs/dbraw/zinc/81/97/26/356819726.db2.gz OCWGMMWVPVSMHW-QZTJIDSGSA-N 1 3 315.461 2.061 20 0 DEADHO CN(C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C)C1 ZINC000578451762 356819728 /nfs/dbraw/zinc/81/97/28/356819728.db2.gz OCWGMMWVPVSMHW-QZTJIDSGSA-N 1 3 315.461 2.061 20 0 DEADHO Cc1nc(CN2CCC(C[NH2+][C@H]3CNCC[C@@H]3C)CC2)oc1C ZINC000578994737 356904180 /nfs/dbraw/zinc/90/41/80/356904180.db2.gz MHPBIUQXSJLFGX-GUYCJALGSA-N 1 3 320.481 2.091 20 0 DEADHO CCN(Cc1ccc(C(=O)N2CCC[C@@H](C[NH3+])C2)cc1)C1CC1 ZINC000581725289 357238321 /nfs/dbraw/zinc/23/83/21/357238321.db2.gz GGAUERNGTNVFAW-INIZCTEOSA-N 1 3 315.461 2.482 20 0 DEADHO C[NH+](C)C1(CNC(=O)N2CC[C@@H](N3CCCC3)C2)CCCCC1 ZINC000589203940 357455482 /nfs/dbraw/zinc/45/54/82/357455482.db2.gz IYTCDGFGOQWOEB-MRXNPFEDSA-N 1 3 322.497 2.131 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000591158890 357683801 /nfs/dbraw/zinc/68/38/01/357683801.db2.gz PSQZOIWNLFKANU-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000591158890 357683803 /nfs/dbraw/zinc/68/38/03/357683803.db2.gz PSQZOIWNLFKANU-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO C[NH2+]CCC1CCN(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000655973553 540297846 /nfs/dbraw/zinc/29/78/46/540297846.db2.gz GYYBLSMIIMTWFU-IAGOWNOFSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000661405491 540320042 /nfs/dbraw/zinc/32/00/42/540320042.db2.gz DXPFYJYIKHGUGF-JKSUJKDBSA-N 1 3 324.513 2.279 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)C2([NH2+]C3CC3)CCC2)N(C)C)cc1 ZINC000662690864 540333966 /nfs/dbraw/zinc/33/39/66/540333966.db2.gz OONYGDXUIRPFIK-QGZVFWFLSA-N 1 3 315.461 2.389 20 0 DEADHO Fc1ccc(Cn2cc(CN[C@@H]3CC34CC[NH2+]CC4)cn2)cc1 ZINC000666954710 540369381 /nfs/dbraw/zinc/36/93/81/540369381.db2.gz ZLNIDRLXPOWNFT-QGZVFWFLSA-N 1 3 314.408 2.302 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1=CCCC1 ZINC000666958918 540370540 /nfs/dbraw/zinc/37/05/40/540370540.db2.gz NHCFKPLXVTUBMU-QGZVFWFLSA-N 1 3 322.497 2.154 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1=CCCC1 ZINC000666958918 540370543 /nfs/dbraw/zinc/37/05/43/540370543.db2.gz NHCFKPLXVTUBMU-QGZVFWFLSA-N 1 3 322.497 2.154 20 0 DEADHO C[C@H](C(=O)N1CCC[C@H]1C[NH+]1CCCC1)[C@@H](N)c1ccccc1 ZINC000237406494 202256002 /nfs/dbraw/zinc/25/60/02/202256002.db2.gz BSIUGRIOHMQXIF-RYQLBKOJSA-N 1 3 315.461 2.409 20 0 DEADHO C[C@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)[C@@H](N)c1ccccc1 ZINC000237405455 202256100 /nfs/dbraw/zinc/25/61/00/202256100.db2.gz BSIUGRIOHMQXIF-CGTJXYLNSA-N 1 3 315.461 2.409 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000294869009 283398433 /nfs/dbraw/zinc/39/84/33/283398433.db2.gz WNQMRUSKCKEIDN-WBVHZDCISA-N 1 3 303.450 2.328 20 0 DEADHO C[C@@H](NC(=O)Nc1ccc2c(c1)CNCC2)C1CC[NH+](C)CC1 ZINC000667742323 540518535 /nfs/dbraw/zinc/51/85/35/540518535.db2.gz MFLWJLVPAOWYAM-CYBMUJFWSA-N 1 3 316.449 2.184 20 0 DEADHO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc3c2CCNC3)CC[N@@H+]1C ZINC000667753096 540521131 /nfs/dbraw/zinc/52/11/31/540521131.db2.gz HMTWWTMVVQJOKK-HIFRSBDPSA-N 1 3 316.449 2.279 20 0 DEADHO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc3c2CCNC3)CC[N@H+]1C ZINC000667753096 540521132 /nfs/dbraw/zinc/52/11/32/540521132.db2.gz HMTWWTMVVQJOKK-HIFRSBDPSA-N 1 3 316.449 2.279 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCC[NH2+]2)CCN1Cc1ccccc1 ZINC000237569940 202286406 /nfs/dbraw/zinc/28/64/06/202286406.db2.gz ZZCJTBQENXFEKV-BPQIPLTHSA-N 1 3 315.461 2.298 20 0 DEADHO C[C@@]1(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC[NH2+]C1 ZINC000237589343 202295378 /nfs/dbraw/zinc/29/53/78/202295378.db2.gz XBXOBUVJZWVDSB-IEBWSBKVSA-N 1 3 315.461 2.157 20 0 DEADHO CC(C)OC1CC([NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)C1 ZINC000668490013 540672868 /nfs/dbraw/zinc/67/28/68/540672868.db2.gz PNJNYIUVNLLIRR-XBMUEBEBSA-N 1 3 318.461 2.299 20 0 DEADHO [NH3+]C1(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CCCCC1 ZINC000237925709 202393317 /nfs/dbraw/zinc/39/33/17/202393317.db2.gz GPCFWZFZAVBUHE-QGZVFWFLSA-N 1 3 315.461 2.429 20 0 DEADHO C[C@@H]([NH3+])CNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000668644784 540703274 /nfs/dbraw/zinc/70/32/74/540703274.db2.gz XVWKLXAZTHMKID-KGLIPLIRSA-N 1 3 324.494 2.168 20 0 DEADHO CN(C)CCC[NH2+]Cc1ccc(I)s1 ZINC000602506454 360408442 /nfs/dbraw/zinc/40/84/42/360408442.db2.gz WFAMUUUURJYFKC-UHFFFAOYSA-N 1 3 324.231 2.394 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCCC[NH2+]2)N(C)C)cc1 ZINC000669418969 540829240 /nfs/dbraw/zinc/82/92/40/540829240.db2.gz OYCHLNNSGOEYTB-DLBZAZTESA-N 1 3 318.465 2.039 20 0 DEADHO CC[C@@H]1CN(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)CC[C@@H]1[NH3+] ZINC000669469298 540839046 /nfs/dbraw/zinc/83/90/46/540839046.db2.gz WJBGUIOKWKDPKD-QXSJWSMHSA-N 1 3 310.486 2.018 20 0 DEADHO CC[NH2+]CCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669483671 540842011 /nfs/dbraw/zinc/84/20/11/540842011.db2.gz GVCQSYZQIQMNNE-KRWDZBQOSA-N 1 3 318.465 2.122 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)NC[C@@H](C)[NH3+])N(CC)CC)cc1 ZINC000669590896 540870612 /nfs/dbraw/zinc/87/06/12/540870612.db2.gz STUJULBIGMIGMD-RHSMWYFYSA-N 1 3 320.481 2.278 20 0 DEADHO C[C@H](NC(=O)N1CCC(C)([NH3+])CC1)[C@H](c1ccccc1)N(C)C ZINC000669583285 540868733 /nfs/dbraw/zinc/86/87/33/540868733.db2.gz ARTLWHONBLCCHD-GOEBONIOSA-N 1 3 318.465 2.201 20 0 DEADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000417317840 296027154 /nfs/dbraw/zinc/02/71/54/296027154.db2.gz XMVKEWUKUASDAV-BZUAXINKSA-N 1 3 310.486 2.018 20 0 DEADHO CN(CCCC[NH+](C)C)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000607033955 361063197 /nfs/dbraw/zinc/06/31/97/361063197.db2.gz YNQWBTKPKHDZEU-GOSISDBHSA-N 1 3 317.477 2.451 20 0 DEADHO C[C@@H]([NH3+])CCC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000193301651 201023841 /nfs/dbraw/zinc/02/38/41/201023841.db2.gz RKSIORQSWLVICX-WBVHZDCISA-N 1 3 303.450 2.237 20 0 DEADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc2c(c1)CC(=O)N2C ZINC000271877491 209288145 /nfs/dbraw/zinc/28/81/45/209288145.db2.gz YBVPZZCKEFHKTJ-BBRMVZONSA-N 1 3 301.434 2.340 20 0 DEADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCCn2cncn2)CC1 ZINC000628213252 366770577 /nfs/dbraw/zinc/77/05/77/366770577.db2.gz DCLFIBLIXMWCON-WBVHZDCISA-N 1 3 305.470 2.301 20 0 DEADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CCCn2cncn2)CC1 ZINC000628213252 366770586 /nfs/dbraw/zinc/77/05/86/366770586.db2.gz DCLFIBLIXMWCON-WBVHZDCISA-N 1 3 305.470 2.301 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000672942688 541076784 /nfs/dbraw/zinc/07/67/84/541076784.db2.gz LHLCJEYUWBXUOE-ZACQAIPSSA-N 1 3 322.497 2.129 20 0 DEADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@H]2COCCO2)C3)cc1 ZINC000447534305 239005363 /nfs/dbraw/zinc/00/53/63/239005363.db2.gz WFJRLBZNCHFVCW-OKYOBFRVSA-N 1 3 316.445 2.187 20 0 DEADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@H]2COCCO2)C3)cc1 ZINC000447534305 239005373 /nfs/dbraw/zinc/00/53/73/239005373.db2.gz WFJRLBZNCHFVCW-OKYOBFRVSA-N 1 3 316.445 2.187 20 0 DEADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc(CN(C)C)c1 ZINC000673672640 541129834 /nfs/dbraw/zinc/12/98/34/541129834.db2.gz JGWNXGDYPHGSIH-KRWDZBQOSA-N 1 3 303.450 2.352 20 0 DEADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000195131654 201344779 /nfs/dbraw/zinc/34/47/79/201344779.db2.gz FOJQVPVHXZMSIT-KGLIPLIRSA-N 1 3 307.463 2.001 20 0 DEADHO CN(CCNC(=O)C1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000195375699 201385706 /nfs/dbraw/zinc/38/57/06/201385706.db2.gz VCRMUOKAXMKXCV-UHFFFAOYSA-N 1 3 315.461 2.109 20 0 DEADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H](C)CN1CCCCC1 ZINC000675176295 541296240 /nfs/dbraw/zinc/29/62/40/541296240.db2.gz FYUALPPOQAPKAP-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](CC)CN2CCCC2)C1 ZINC000675197583 541302208 /nfs/dbraw/zinc/30/22/08/541302208.db2.gz PLALNHRKYAHOJK-DLBZAZTESA-N 1 3 324.513 2.234 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](CC)CN2CCCC2)C1 ZINC000675197583 541302211 /nfs/dbraw/zinc/30/22/11/541302211.db2.gz PLALNHRKYAHOJK-DLBZAZTESA-N 1 3 324.513 2.234 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](CC)CN2CCCC2)C1 ZINC000675197585 541302225 /nfs/dbraw/zinc/30/22/25/541302225.db2.gz PLALNHRKYAHOJK-IRXDYDNUSA-N 1 3 324.513 2.234 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](CC)CN2CCCC2)C1 ZINC000675197585 541302227 /nfs/dbraw/zinc/30/22/27/541302227.db2.gz PLALNHRKYAHOJK-IRXDYDNUSA-N 1 3 324.513 2.234 20 0 DEADHO CN(C)[C@H](CNC(=O)NCC1([NH+](C)C)CCC1)c1ccccc1 ZINC000275527772 212395645 /nfs/dbraw/zinc/39/56/45/212395645.db2.gz WMZVWYSTEQGDIL-MRXNPFEDSA-N 1 3 318.465 2.073 20 0 DEADHO C[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1ccc(OCCN(C)C)cc1 ZINC000675765658 541381301 /nfs/dbraw/zinc/38/13/01/541381301.db2.gz DNNQIJYSWPFZLK-NVXWUHKLSA-N 1 3 305.466 2.372 20 0 DEADHO CCCN1CCC([NH2+]CC2(N3CCCC3)CCOCC2)CC1 ZINC000675822822 541387800 /nfs/dbraw/zinc/38/78/00/541387800.db2.gz FUIRWSGIPDXEAS-UHFFFAOYSA-N 1 3 309.498 2.095 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@H]2CC[NH2+]CC2(C)C)c1 ZINC000623065781 364874015 /nfs/dbraw/zinc/87/40/15/364874015.db2.gz OKNXLWKZPYMRCE-HNNXBMFYSA-N 1 3 304.438 2.258 20 0 DEADHO CN(C)CCN(C)CCC[NH2+]Cc1ccc2cnccc2c1 ZINC000623087641 364879630 /nfs/dbraw/zinc/87/96/30/364879630.db2.gz ALEKDPPCXUYLIY-UHFFFAOYSA-N 1 3 300.450 2.208 20 0 DEADHO CN(CCCNCc1coc(-c2ccccc2)n1)CC[NH+](C)C ZINC000623087892 364881225 /nfs/dbraw/zinc/88/12/25/364881225.db2.gz NJXXLRISHMQFRM-UHFFFAOYSA-N 1 3 316.449 2.315 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000449099520 240052531 /nfs/dbraw/zinc/05/25/31/240052531.db2.gz NXGKCPFQGDALQX-VYDXJSESSA-N 1 3 303.450 2.326 20 0 DEADHO COc1cc(F)cc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000449196369 240178836 /nfs/dbraw/zinc/17/88/36/240178836.db2.gz YEHMKEPJOYCRTH-ROUUACIJSA-N 1 3 322.424 2.302 20 0 DEADHO C[C@H]1CSC[C@@H]1NCc1ccncc1OCCC[NH+](C)C ZINC000449330849 240379197 /nfs/dbraw/zinc/37/91/97/240379197.db2.gz VWMBJFZRVDDJJR-ZFWWWQNUSA-N 1 3 309.479 2.253 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000623965688 365237600 /nfs/dbraw/zinc/23/76/00/365237600.db2.gz RDEKIONSDFEKHU-CVEARBPZSA-N 1 3 324.513 2.138 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000623965688 365237603 /nfs/dbraw/zinc/23/76/03/365237603.db2.gz RDEKIONSDFEKHU-CVEARBPZSA-N 1 3 324.513 2.138 20 0 DEADHO CN1CCC[C@@H]1CNC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000628648077 366915062 /nfs/dbraw/zinc/91/50/62/366915062.db2.gz WFTUFPCFDNUNHH-QZTJIDSGSA-N 1 3 315.461 2.076 20 0 DEADHO O[C@@H](CNCCCn1ccc2ccccc21)C[NH+]1CCCC1 ZINC000629555375 367247855 /nfs/dbraw/zinc/24/78/55/367247855.db2.gz WGAQOLQNBLFHBT-KRWDZBQOSA-N 1 3 301.434 2.078 20 0 DEADHO CN(CCOCC[NH3+])CCOc1cc(Cl)ccc1Cl ZINC000629579664 367258712 /nfs/dbraw/zinc/25/87/12/367258712.db2.gz OQDAXMRMJRYCGH-UHFFFAOYSA-N 1 3 307.221 2.279 20 0 DEADHO C[C@H](C[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1)C1CCCCC1 ZINC000629661042 367290673 /nfs/dbraw/zinc/29/06/73/367290673.db2.gz APDKPTIRPKUEDI-CVEARBPZSA-N 1 3 309.498 2.332 20 0 DEADHO C[C@H](C[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1)C1CCCCC1 ZINC000629661042 367290679 /nfs/dbraw/zinc/29/06/79/367290679.db2.gz APDKPTIRPKUEDI-CVEARBPZSA-N 1 3 309.498 2.332 20 0 DEADHO COCCc1ncc(CNCC2CC[NH+](C3CC3)CC2)s1 ZINC000631120079 368027879 /nfs/dbraw/zinc/02/78/79/368027879.db2.gz HEBHYSVFSVLDOM-UHFFFAOYSA-N 1 3 309.479 2.296 20 0 DEADHO CCN1CCN(CCCC[NH2+][C@@H]2CCCc3ncccc32)CC1 ZINC000631567257 368290431 /nfs/dbraw/zinc/29/04/31/368290431.db2.gz WVEFMFXEQLMDHR-GOSISDBHSA-N 1 3 316.493 2.466 20 0 DEADHO C[C@H](Cn1cncn1)[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000631661607 368331398 /nfs/dbraw/zinc/33/13/98/368331398.db2.gz ADBAJFZNGHODAH-JZXOWHBKSA-N 1 3 313.449 2.024 20 0 DEADHO C[C@H](Cn1cncn1)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631661607 368331400 /nfs/dbraw/zinc/33/14/00/368331400.db2.gz ADBAJFZNGHODAH-JZXOWHBKSA-N 1 3 313.449 2.024 20 0 DEADHO C[C@H](Cn1cncn1)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631661607 368331402 /nfs/dbraw/zinc/33/14/02/368331402.db2.gz ADBAJFZNGHODAH-JZXOWHBKSA-N 1 3 313.449 2.024 20 0 DEADHO CO[C@@H]1[C@H](C)[C@H]([NH2+]CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000451504984 243040560 /nfs/dbraw/zinc/04/05/60/243040560.db2.gz UCXJXWUJURBVHG-IXDOHACOSA-N 1 3 311.514 2.052 20 0 DEADHO NCc1cn([C@H]2CC[N@@H+]([C@@H]3CCCc4ccc(F)cc43)C2)nn1 ZINC000631844957 368420219 /nfs/dbraw/zinc/42/02/19/368420219.db2.gz QGKNCKJHWGTCNV-DOTOQJQBSA-N 1 3 315.396 2.200 20 0 DEADHO NCc1cn([C@H]2CC[N@H+]([C@@H]3CCCc4ccc(F)cc43)C2)nn1 ZINC000631844957 368420222 /nfs/dbraw/zinc/42/02/22/368420222.db2.gz QGKNCKJHWGTCNV-DOTOQJQBSA-N 1 3 315.396 2.200 20 0 DEADHO [NH3+]Cc1cn([C@@H]2CCN(CCc3c(F)cccc3Cl)C2)nn1 ZINC000631846175 368423604 /nfs/dbraw/zinc/42/36/04/368423604.db2.gz WGAZUOGECVERNJ-GFCCVEGCSA-N 1 3 323.803 2.019 20 0 DEADHO C[C@@H](NCC1([S@](C)=O)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000282362010 296120245 /nfs/dbraw/zinc/12/02/45/296120245.db2.gz PUGKHSWKUXDIIZ-PEBXRYMYSA-N 1 3 324.490 2.189 20 0 DEADHO C[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)[C@H](N)c1ccccc1 ZINC000261647814 203086656 /nfs/dbraw/zinc/08/66/56/203086656.db2.gz GBWGTGRCXOPPSP-FDPIWHGQSA-N 1 3 323.440 2.276 20 0 DEADHO C[C@H](C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)[C@H](N)c1ccccc1 ZINC000261713315 203099194 /nfs/dbraw/zinc/09/91/94/203099194.db2.gz LEZYLKDYRFGWBB-SZMVWBNQSA-N 1 3 315.461 2.409 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000261798728 203119545 /nfs/dbraw/zinc/11/95/45/203119545.db2.gz DVBFHWKBOPWYOF-PBHICJAKSA-N 1 3 303.450 2.316 20 0 DEADHO C[C@H](N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)[C@@H]1CCOC1 ZINC000423364930 299397520 /nfs/dbraw/zinc/39/75/20/299397520.db2.gz KFCADVYSOJTVCS-XZBIERFOSA-N 1 3 310.388 2.425 20 0 DEADHO CCCN1CCC([NH2+][C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000678773327 541763816 /nfs/dbraw/zinc/76/38/16/541763816.db2.gz XKZGXHPVMSPZRK-KRWDZBQOSA-N 1 3 307.482 2.384 20 0 DEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262369196 203275106 /nfs/dbraw/zinc/27/51/06/203275106.db2.gz LMBAJKSFYLGRIB-WBVHZDCISA-N 1 3 321.440 2.233 20 0 DEADHO C[C@H](C[NH3+])C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000262422708 203291318 /nfs/dbraw/zinc/29/13/18/203291318.db2.gz SAMSWPKLCFZBBJ-ZIAGYGMSSA-N 1 3 309.479 2.232 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)N(C)C)cc1 ZINC000262457845 203300073 /nfs/dbraw/zinc/30/00/73/203300073.db2.gz VKSSYJPKTGNJRP-WBAXXEDZSA-N 1 3 317.477 2.356 20 0 DEADHO COC(=O)[C@H](C)CN(Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000346848839 284252282 /nfs/dbraw/zinc/25/22/82/284252282.db2.gz OGUOIHRODLIHNH-NVXWUHKLSA-N 1 3 304.434 2.297 20 0 DEADHO C[C@@H](CCCCO)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000679344522 541842324 /nfs/dbraw/zinc/84/23/24/541842324.db2.gz YXTGFTUUIHECBQ-KRWDZBQOSA-N 1 3 311.514 2.077 20 0 DEADHO C[C@@H](CCc1ccc(O)cc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282476862 217023404 /nfs/dbraw/zinc/02/34/04/217023404.db2.gz WRCIWJMTYHXHEQ-INIZCTEOSA-N 1 3 319.493 2.329 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)C1 ZINC000362349644 284343031 /nfs/dbraw/zinc/34/30/31/284343031.db2.gz WEAKJNGZGATNEU-ULQDDVLXSA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)C1 ZINC000362349644 284343034 /nfs/dbraw/zinc/34/30/34/284343034.db2.gz WEAKJNGZGATNEU-ULQDDVLXSA-N 1 3 324.513 2.233 20 0 DEADHO O=C1[C@H](N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CCN1C1CCCCC1 ZINC000530226808 284379409 /nfs/dbraw/zinc/37/94/09/284379409.db2.gz ZGEJABPYEBZXOA-JFIYKMOQSA-N 1 3 319.493 2.242 20 0 DEADHO c1cc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc2c1OCC2 ZINC000530248837 284385364 /nfs/dbraw/zinc/38/53/64/284385364.db2.gz QEIRZYHOXHKZBV-SFHVURJKSA-N 1 3 316.445 2.212 20 0 DEADHO C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N(C)C ZINC000454906364 246243867 /nfs/dbraw/zinc/24/38/67/246243867.db2.gz SBAYOARYRSXAQS-HOCLYGCPSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)N(C)C ZINC000454906364 246243872 /nfs/dbraw/zinc/24/38/72/246243872.db2.gz SBAYOARYRSXAQS-HOCLYGCPSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H](c1cccnc1)N1CCN(C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414696413 296242369 /nfs/dbraw/zinc/24/23/69/296242369.db2.gz PHEBWRHLAUHMBX-IXDOHACOSA-N 1 3 302.466 2.148 20 0 DEADHO C[C@H](O)[C@H]1CCC[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000681081943 542093604 /nfs/dbraw/zinc/09/36/04/542093604.db2.gz JAVGUUQBMYQHHA-RDJZCZTQSA-N 1 3 306.450 2.220 20 0 DEADHO C[C@H](O)[C@H]1CCC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000681081943 542093606 /nfs/dbraw/zinc/09/36/06/542093606.db2.gz JAVGUUQBMYQHHA-RDJZCZTQSA-N 1 3 306.450 2.220 20 0 DEADHO COCC1=CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000681496602 542156765 /nfs/dbraw/zinc/15/67/65/542156765.db2.gz SZRUXIBPKQYJLH-UHFFFAOYSA-N 1 3 304.434 2.406 20 0 DEADHO C[NH+](C)C/C=C\C(=O)N(CCN1CCCC1)c1ccccc1 ZINC000493170826 249240240 /nfs/dbraw/zinc/24/02/40/249240240.db2.gz JWLILBQTPXFIKA-FLIBITNWSA-N 1 3 301.434 2.233 20 0 DEADHO C[NH+](C)C/C=C/C(=O)N(CCN1CCCC1)c1ccccc1 ZINC000493170825 249240457 /nfs/dbraw/zinc/24/04/57/249240457.db2.gz JWLILBQTPXFIKA-DHZHZOJOSA-N 1 3 301.434 2.233 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000681800006 542209161 /nfs/dbraw/zinc/20/91/61/542209161.db2.gz DIURHTTUKRQBEW-QZTJIDSGSA-N 1 3 315.461 2.495 20 0 DEADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1cccc(N2CCOC2=O)c1 ZINC000493697042 249366034 /nfs/dbraw/zinc/36/60/34/249366034.db2.gz ZDSYTSQCUXJONH-XJKSGUPXSA-N 1 3 303.406 2.073 20 0 DEADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1cccc(N2CCOC2=O)c1 ZINC000493697042 249366037 /nfs/dbraw/zinc/36/60/37/249366037.db2.gz ZDSYTSQCUXJONH-XJKSGUPXSA-N 1 3 303.406 2.073 20 0 DEADHO CN(C)[C@H]1CCCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000105070641 194069086 /nfs/dbraw/zinc/06/90/86/194069086.db2.gz MWJKFRFDNNGPHM-AWEZNQCLSA-N 1 3 310.486 2.031 20 0 DEADHO CN(C)[C@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000105075215 194069505 /nfs/dbraw/zinc/06/95/05/194069505.db2.gz UWTFXDSVZYVGKZ-IAGOWNOFSA-N 1 3 318.465 2.025 20 0 DEADHO CC(C)[C@H](CNC(=O)N[C@@H](C)CN1CCCCC1)[NH+]1CCCC1 ZINC000105129695 194077651 /nfs/dbraw/zinc/07/76/51/194077651.db2.gz GCZAPQGGCROLKL-IRXDYDNUSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)N(C)C1CC1 ZINC000105263887 194089244 /nfs/dbraw/zinc/08/92/44/194089244.db2.gz IKRRZTMPIGWXDK-NVXWUHKLSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H](CNC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)N(C)C1CC1 ZINC000105173852 194082304 /nfs/dbraw/zinc/08/23/04/194082304.db2.gz JBLBYIPXORGAFC-RKVPGOIHSA-N 1 3 324.513 2.279 20 0 DEADHO O=C1Nc2ccccc2CC[C@H]1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261899958 284936297 /nfs/dbraw/zinc/93/62/97/284936297.db2.gz OSDXHYVLIJNWFJ-SJLPKXTDSA-N 1 3 313.445 2.404 20 0 DEADHO O=C1Nc2ccccc2CC[C@H]1N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420321462 284936412 /nfs/dbraw/zinc/93/64/12/284936412.db2.gz VGQWRJMFOBNDEM-FUHWJXTLSA-N 1 3 313.445 2.261 20 0 DEADHO C[C@H]1CN(C(=O)c2oc3ccccc3c2CN(C)C)CC[C@@H]1[NH3+] ZINC000269219420 207339328 /nfs/dbraw/zinc/33/93/28/207339328.db2.gz QWLLKUVVRFEQFI-WFASDCNBSA-N 1 3 315.417 2.304 20 0 DEADHO CC[N@H+](CCC1CCN(CCN2CCOCC2)CC1)CC1CC1 ZINC000357080681 207396309 /nfs/dbraw/zinc/39/63/09/207396309.db2.gz HCZWFEGPEHSVEZ-UHFFFAOYSA-N 1 3 323.525 2.153 20 0 DEADHO CC[N@@H+](CCC1CCN(CCN2CCOCC2)CC1)CC1CC1 ZINC000357080681 207396311 /nfs/dbraw/zinc/39/63/11/207396311.db2.gz HCZWFEGPEHSVEZ-UHFFFAOYSA-N 1 3 323.525 2.153 20 0 DEADHO COc1cc(NCCN[C@@H]2CC[NH2+]CC[C@@H]2C)cc(OC)c1 ZINC000423007465 533032079 /nfs/dbraw/zinc/03/20/79/533032079.db2.gz XTAFPCGQRSIUDN-SUMWQHHRSA-N 1 3 307.438 2.093 20 0 DEADHO O=C(c1cccc(CN2CCCC2)c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159214304 197336988 /nfs/dbraw/zinc/33/69/88/197336988.db2.gz ZFORMUCXPRTVAM-IBGZPJMESA-N 1 3 313.445 2.108 20 0 DEADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC000156369536 197108167 /nfs/dbraw/zinc/10/81/67/197108167.db2.gz ZDMDFILMULMYGC-KRWDZBQOSA-N 1 3 303.450 2.352 20 0 DEADHO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC000156369536 197108169 /nfs/dbraw/zinc/10/81/69/197108169.db2.gz ZDMDFILMULMYGC-KRWDZBQOSA-N 1 3 303.450 2.352 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000155575821 197068802 /nfs/dbraw/zinc/06/88/02/197068802.db2.gz MQBDCFFXVKLJAT-CABCVRRESA-N 1 3 319.449 2.092 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000154873304 197000891 /nfs/dbraw/zinc/00/08/91/197000891.db2.gz XQXQQOTZIJSEPG-ROUUACIJSA-N 1 3 315.461 2.305 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000154873304 197000892 /nfs/dbraw/zinc/00/08/92/197000892.db2.gz XQXQQOTZIJSEPG-ROUUACIJSA-N 1 3 315.461 2.305 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCC(F)(F)F ZINC000361691323 285243001 /nfs/dbraw/zinc/24/30/01/285243001.db2.gz QWXDAZORJUEGQT-CYBMUJFWSA-N 1 3 323.403 2.203 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCC(F)(F)F ZINC000361691323 285243002 /nfs/dbraw/zinc/24/30/02/285243002.db2.gz QWXDAZORJUEGQT-CYBMUJFWSA-N 1 3 323.403 2.203 20 0 DEADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000683419586 542447211 /nfs/dbraw/zinc/44/72/11/542447211.db2.gz WVRVVQYBOFQOML-WBVHZDCISA-N 1 3 322.497 2.177 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@]1(C)CC ZINC000342574953 285247925 /nfs/dbraw/zinc/24/79/25/285247925.db2.gz QYXOMIBVEUFGMJ-RYRKJORJSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@]1(C)CC ZINC000342574953 285247926 /nfs/dbraw/zinc/24/79/26/285247926.db2.gz QYXOMIBVEUFGMJ-RYRKJORJSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000120642262 195207807 /nfs/dbraw/zinc/20/78/07/195207807.db2.gz YXKNALUEFZVOPT-GVDBMIGSSA-N 1 3 324.513 2.233 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000120642262 195207810 /nfs/dbraw/zinc/20/78/10/195207810.db2.gz YXKNALUEFZVOPT-GVDBMIGSSA-N 1 3 324.513 2.233 20 0 DEADHO OC[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)C1CCOCC1 ZINC000360802638 285287236 /nfs/dbraw/zinc/28/72/36/285287236.db2.gz DUXCTNPREWJTAI-SFHVURJKSA-N 1 3 310.482 2.161 20 0 DEADHO OC[C@H](NC1CC[NH+](C2CCCCC2)CC1)C1CCOCC1 ZINC000360802638 285287241 /nfs/dbraw/zinc/28/72/41/285287241.db2.gz DUXCTNPREWJTAI-SFHVURJKSA-N 1 3 310.482 2.161 20 0 DEADHO CCN1CCN(C[C@H](C)C[NH2+]CCCc2cnccc2C)CC1 ZINC000289954745 221339954 /nfs/dbraw/zinc/33/99/54/221339954.db2.gz AZIPAKMJVUFMDZ-QGZVFWFLSA-N 1 3 318.509 2.186 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(OC)c(O)c2)CC1 ZINC000289998969 221371252 /nfs/dbraw/zinc/37/12/52/221371252.db2.gz YUSTYAMHHZFARN-HNNXBMFYSA-N 1 3 321.465 2.079 20 0 DEADHO CO[C@H]1CCC[C@@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)C1 ZINC000684382876 542597622 /nfs/dbraw/zinc/59/76/22/542597622.db2.gz RUWLOKNANSIXLF-MSOLQXFVSA-N 1 3 323.525 2.484 20 0 DEADHO C[NH2+]CCCNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000121307529 132153327 /nfs/dbraw/zinc/15/33/27/132153327.db2.gz HBGITESFLULNJR-INIZCTEOSA-N 1 3 317.477 2.055 20 0 DEADHO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1cccc2c1CCNC2 ZINC000562768277 292009706 /nfs/dbraw/zinc/00/97/06/292009706.db2.gz ZUJHHZANTLHLRT-ZDUSSCGKSA-N 1 3 304.438 2.184 20 0 DEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1cccc2c1CCNC2 ZINC000562768277 292009707 /nfs/dbraw/zinc/00/97/07/292009707.db2.gz ZUJHHZANTLHLRT-ZDUSSCGKSA-N 1 3 304.438 2.184 20 0 DEADHO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cccc3c2CCNC3)C1 ZINC000562767899 292009596 /nfs/dbraw/zinc/00/95/96/292009596.db2.gz SKMZNONDKNZHTF-HNNXBMFYSA-N 1 3 316.449 2.280 20 0 DEADHO C[C@@H](NC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)C1=CCN(C)CC1 ZINC000357819361 133102386 /nfs/dbraw/zinc/10/23/86/133102386.db2.gz WDSLUWQMEDEOHE-JKSUJKDBSA-N 1 3 322.497 2.201 20 0 DEADHO C[C@@H](NC(=O)NCCC[N@H+]1CCCC[C@@H]1C)C1=CCN(C)CC1 ZINC000357819361 133102387 /nfs/dbraw/zinc/10/23/87/133102387.db2.gz WDSLUWQMEDEOHE-JKSUJKDBSA-N 1 3 322.497 2.201 20 0 DEADHO C[C@H](NC(=O)NCCC[NH2+]C1CCCCC1)C1=CCN(C)CC1 ZINC000358072922 133119254 /nfs/dbraw/zinc/11/92/54/133119254.db2.gz CTNBOXFZICMNOH-HNNXBMFYSA-N 1 3 322.497 2.248 20 0 DEADHO O=C(NCCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccs1 ZINC000358138979 133123591 /nfs/dbraw/zinc/12/35/91/133123591.db2.gz JXEKPODGODPLGS-KGLIPLIRSA-N 1 3 307.463 2.084 20 0 DEADHO O=C(NCCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccs1 ZINC000358138979 133123592 /nfs/dbraw/zinc/12/35/92/133123592.db2.gz JXEKPODGODPLGS-KGLIPLIRSA-N 1 3 307.463 2.084 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000358145896 133124185 /nfs/dbraw/zinc/12/41/85/133124185.db2.gz UFKYKBHMRLRBTO-RDJZCZTQSA-N 1 3 324.513 2.423 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000358145896 133124186 /nfs/dbraw/zinc/12/41/86/133124186.db2.gz UFKYKBHMRLRBTO-RDJZCZTQSA-N 1 3 324.513 2.423 20 0 DEADHO N[C@@H]1CCCCC[C@H]1[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000562958599 292019565 /nfs/dbraw/zinc/01/95/65/292019565.db2.gz BBSPPOATSFEMFH-QZTJIDSGSA-N 1 3 302.466 2.296 20 0 DEADHO [NH3+][C@@H]1CCCCC[C@H]1NC1CCN(Cc2ccccn2)CC1 ZINC000562958599 292019566 /nfs/dbraw/zinc/01/95/66/292019566.db2.gz BBSPPOATSFEMFH-QZTJIDSGSA-N 1 3 302.466 2.296 20 0 DEADHO CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000360049935 133159274 /nfs/dbraw/zinc/15/92/74/133159274.db2.gz HWKQFVLKCINJLP-CVEARBPZSA-N 1 3 312.502 2.233 20 0 DEADHO C[C@@H](NCC1(O)CC[NH+](C)CC1)c1cc(F)c(F)c(F)c1 ZINC000361879055 133197352 /nfs/dbraw/zinc/19/73/52/133197352.db2.gz FLTFKFMNRMSLOS-SNVBAGLBSA-N 1 3 302.340 2.211 20 0 DEADHO [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H](c2cccs2)c2nnc[n-]2)CC1 ZINC000562962317 292019929 /nfs/dbraw/zinc/01/99/29/292019929.db2.gz UVPPOUBTGQYIBM-YRGRVCCFSA-N 1 3 305.451 2.310 20 0 DEADHO C[C@H]1CN(CCOc2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000362077050 133209471 /nfs/dbraw/zinc/20/94/71/133209471.db2.gz IFJVXBOTMILVLC-HKUYNNGSSA-N 1 3 317.477 2.023 20 0 DEADHO C[C@H]1C[N@H+](CCOc2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000362077050 133209472 /nfs/dbraw/zinc/20/94/72/133209472.db2.gz IFJVXBOTMILVLC-HKUYNNGSSA-N 1 3 317.477 2.023 20 0 DEADHO C[C@H]1C[N@@H+](CCOc2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000362077050 133209473 /nfs/dbraw/zinc/20/94/73/133209473.db2.gz IFJVXBOTMILVLC-HKUYNNGSSA-N 1 3 317.477 2.023 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000563426843 292056693 /nfs/dbraw/zinc/05/66/93/292056693.db2.gz WOCNILLPIRUZGE-SQNIBIBYSA-N 1 3 315.461 2.080 20 0 DEADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000563426843 292056695 /nfs/dbraw/zinc/05/66/95/292056695.db2.gz WOCNILLPIRUZGE-SQNIBIBYSA-N 1 3 315.461 2.080 20 0 DEADHO CC[NH2+]CCCNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000563580413 292063573 /nfs/dbraw/zinc/06/35/73/292063573.db2.gz BBIWTZCFVPCCLG-WBVHZDCISA-N 1 3 318.465 2.121 20 0 DEADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H](N)c1ccccc1 ZINC000563875319 292077587 /nfs/dbraw/zinc/07/75/87/292077587.db2.gz KKSNHLFTPUPHJV-DLBZAZTESA-N 1 3 318.465 2.202 20 0 DEADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@@H](N)c1ccccc1 ZINC000563875319 292077589 /nfs/dbraw/zinc/07/75/89/292077589.db2.gz KKSNHLFTPUPHJV-DLBZAZTESA-N 1 3 318.465 2.202 20 0 DEADHO Cc1cccc([C@H](C)[NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001422616380 1172765832 /nfs/dbraw/zinc/76/58/32/1172765832.db2.gz GGGDOTGDNOOZGU-CVEARBPZSA-N 1 3 305.466 2.491 20 0 DEADHO COc1cc(NCCN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc(OC)c1 ZINC000246319323 145098578 /nfs/dbraw/zinc/09/85/78/145098578.db2.gz FEBUCYYYXAKRLL-SUNYJGFJSA-N 1 3 321.465 2.434 20 0 DEADHO COc1cc(NCCN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc(OC)c1 ZINC000246319323 145098580 /nfs/dbraw/zinc/09/85/80/145098580.db2.gz FEBUCYYYXAKRLL-SUNYJGFJSA-N 1 3 321.465 2.434 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)N(C)C ZINC000247152278 145127633 /nfs/dbraw/zinc/12/76/33/145127633.db2.gz XCEKVMXNNVIUIQ-CGTJXYLNSA-N 1 3 317.477 2.496 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)N(C)C ZINC000247152278 145127635 /nfs/dbraw/zinc/12/76/35/145127635.db2.gz XCEKVMXNNVIUIQ-CGTJXYLNSA-N 1 3 317.477 2.496 20 0 DEADHO C[C@H](C[S@](C)=O)N[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000248445527 145155389 /nfs/dbraw/zinc/15/53/89/145155389.db2.gz CBNGMTVXRDJDRJ-LKBUQDJMSA-N 1 3 312.479 2.045 20 0 DEADHO CN(C)CCN(Cc1ccccc1)C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000261548632 145207203 /nfs/dbraw/zinc/20/72/03/145207203.db2.gz NRJXQKGEZIHLAD-ZWKOTPCHSA-N 1 3 317.477 2.484 20 0 DEADHO COc1ccccc1-n1nccc1CN1CCC[C@H](CC[NH3+])C1 ZINC000261946236 145245494 /nfs/dbraw/zinc/24/54/94/145245494.db2.gz NJKLKYAVNUDWHV-OAHLLOKOSA-N 1 3 314.433 2.442 20 0 DEADHO C[NH2+]CCC1CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000261983614 145249870 /nfs/dbraw/zinc/24/98/70/145249870.db2.gz JBDMWKLHHOJADT-UHFFFAOYSA-N 1 3 314.433 2.199 20 0 DEADHO C[NH2+]CCC1CCN(CC(=O)N([C@@H](C)C2CC2)C2CC2)CC1 ZINC000262021988 145253660 /nfs/dbraw/zinc/25/36/60/145253660.db2.gz YDIUUMJXJXYKDH-AWEZNQCLSA-N 1 3 307.482 2.097 20 0 DEADHO Fc1ccc2oc(CN3CC[C@H](N4CC[NH2+]CC4)C3)cc2c1 ZINC000262120523 145264107 /nfs/dbraw/zinc/26/41/07/145264107.db2.gz MBHXZYDDEZXWMT-HNNXBMFYSA-N 1 3 303.381 2.051 20 0 DEADHO COc1cc2c(cc1OC)CN(C[C@@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC000262532346 145290794 /nfs/dbraw/zinc/29/07/94/145290794.db2.gz PUILOSDWIYYSDF-UONOGXRCSA-N 1 3 304.434 2.450 20 0 DEADHO O=C(C[C@@H]1CCC[NH2+]1)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000309701668 145350525 /nfs/dbraw/zinc/35/05/25/145350525.db2.gz GGONWGDOIGKCJL-MSOLQXFVSA-N 1 3 315.461 2.157 20 0 DEADHO Cc1nc(COc2ccc(CN3CC[C@H]([C@H](C)[NH3+])C3)cc2)no1 ZINC000346644960 146116475 /nfs/dbraw/zinc/11/64/75/146116475.db2.gz NRBSNGYZLBJDFO-WFASDCNBSA-N 1 3 316.405 2.126 20 0 DEADHO Cc1nccn1CCN1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348330735 146255932 /nfs/dbraw/zinc/25/59/32/146255932.db2.gz PJQYBLWCSUYHIR-RTBURBONSA-N 1 3 310.445 2.255 20 0 DEADHO Cc1nccn1CC[NH+]1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000348330735 146255934 /nfs/dbraw/zinc/25/59/34/146255934.db2.gz PJQYBLWCSUYHIR-RTBURBONSA-N 1 3 310.445 2.255 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000349083446 146348497 /nfs/dbraw/zinc/34/84/97/146348497.db2.gz USEPNERXYNZHLW-SFHVURJKSA-N 1 3 317.477 2.499 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000349083446 146348499 /nfs/dbraw/zinc/34/84/99/146348499.db2.gz USEPNERXYNZHLW-SFHVURJKSA-N 1 3 317.477 2.499 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)NC1CC[NH+](C)CC1)c1ccco1 ZINC000349579720 146387508 /nfs/dbraw/zinc/38/75/08/146387508.db2.gz XQBCWJZNAXIMEC-DZGCQCFKSA-N 1 3 322.453 2.102 20 0 DEADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@H](C)N2CCCC[C@H]2C)CC1 ZINC000349645516 146392934 /nfs/dbraw/zinc/39/29/34/146392934.db2.gz OGEYPOYBJDSRSX-CVEARBPZSA-N 1 3 324.513 2.421 20 0 DEADHO Cc1nn(C)c2ncc(CN3CCC([C@@H]4CC[NH2+]C4)CC3)cc12 ZINC000357061289 147033173 /nfs/dbraw/zinc/03/31/73/147033173.db2.gz ZYCXTLKQLWKCGC-MRXNPFEDSA-N 1 3 313.449 2.098 20 0 DEADHO C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C1C[NH2+]C1 ZINC000357238674 147070129 /nfs/dbraw/zinc/07/01/29/147070129.db2.gz IVAUVBKYTJYZOL-MPGHIAIKSA-N 1 3 315.461 2.011 20 0 DEADHO C[C@@H](C(=O)N(C)c1ccccc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358496010 147144716 /nfs/dbraw/zinc/14/47/16/147144716.db2.gz IXVJEFJDSRRSIA-HNNXBMFYSA-N 1 3 301.434 2.113 20 0 DEADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000359014076 147247285 /nfs/dbraw/zinc/24/72/85/147247285.db2.gz KMCWLRIUKPBMHP-QRQLOZEOSA-N 1 3 301.478 2.438 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000359224985 147285960 /nfs/dbraw/zinc/28/59/60/147285960.db2.gz LHWOIYRKXQMPQA-INIZCTEOSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000359238445 147289102 /nfs/dbraw/zinc/28/91/02/147289102.db2.gz QVEQWBKKOLKJBV-HOTGVXAUSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000359238445 147289106 /nfs/dbraw/zinc/28/91/06/147289106.db2.gz QVEQWBKKOLKJBV-HOTGVXAUSA-N 1 3 322.497 2.034 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1)N(C)C ZINC000359248154 147291408 /nfs/dbraw/zinc/29/14/08/147291408.db2.gz GXOJRSOINVWURN-LUKYLMHMSA-N 1 3 309.498 2.436 20 0 DEADHO C[C@H](C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)[C@H](N)c1ccccc1 ZINC000371227697 148075686 /nfs/dbraw/zinc/07/56/86/148075686.db2.gz FDUMAZGHXZOVDA-QGTPRVQTSA-N 1 3 315.461 2.313 20 0 DEADHO Cc1ccc(NC(=O)CCNCC[N@H+]2CCC[C@H](C)C2)nc1 ZINC000565932074 292191233 /nfs/dbraw/zinc/19/12/33/292191233.db2.gz OXGBNAJNYYTTQD-HNNXBMFYSA-N 1 3 304.438 2.040 20 0 DEADHO Cc1ccc(NC(=O)CCNCC[N@@H+]2CCC[C@H](C)C2)nc1 ZINC000565932074 292191235 /nfs/dbraw/zinc/19/12/35/292191235.db2.gz OXGBNAJNYYTTQD-HNNXBMFYSA-N 1 3 304.438 2.040 20 0 DEADHO CCNC(=O)C1(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CCC1 ZINC000566088878 292203687 /nfs/dbraw/zinc/20/36/87/292203687.db2.gz FNUZFQLEPLOKRH-HRCADAONSA-N 1 3 307.482 2.193 20 0 DEADHO OC1(CCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000566088756 292203978 /nfs/dbraw/zinc/20/39/78/292203978.db2.gz JLINBDQVZXVISH-QAPCUYQASA-N 1 3 302.418 2.137 20 0 DEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCN(C)CC)C1 ZINC000111843134 401725814 /nfs/dbraw/zinc/72/58/14/401725814.db2.gz GDCLWVCKEQSPDB-OAHLLOKOSA-N 1 3 312.502 2.138 20 0 DEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCN(C)CC)C1 ZINC000111843134 401725816 /nfs/dbraw/zinc/72/58/16/401725816.db2.gz GDCLWVCKEQSPDB-OAHLLOKOSA-N 1 3 312.502 2.138 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CC1CC1 ZINC000074205516 401732939 /nfs/dbraw/zinc/73/29/39/401732939.db2.gz ISGGNDOAKAFUFZ-DOTOQJQBSA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CC1CC1 ZINC000074205516 401732940 /nfs/dbraw/zinc/73/29/40/401732940.db2.gz ISGGNDOAKAFUFZ-DOTOQJQBSA-N 1 3 324.513 2.233 20 0 DEADHO CN(CCOc1ccc(F)cc1)CCN(C)C1CC[NH+](C)CC1 ZINC000126459210 401695278 /nfs/dbraw/zinc/69/52/78/401695278.db2.gz LEKNPOYKNOJOQI-UHFFFAOYSA-N 1 3 323.456 2.162 20 0 DEADHO C[C@@H]1CC[C@H](CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000126482523 401696040 /nfs/dbraw/zinc/69/60/40/401696040.db2.gz FNHNMMLCJFORRM-CVEARBPZSA-N 1 3 321.509 2.488 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)NC1CCN(C2CC2)CC1 ZINC000076551921 401798004 /nfs/dbraw/zinc/79/80/04/401798004.db2.gz XDFOLIHYEHNSAZ-UHFFFAOYSA-N 1 3 324.513 2.425 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN([C@@H](C)C2CC2)C2CC2)CC1 ZINC000114455123 401799817 /nfs/dbraw/zinc/79/98/17/401799817.db2.gz NQRNNHUBXKWDOO-AWEZNQCLSA-N 1 3 307.482 2.238 20 0 DEADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2nccs2)[C@H](C)C1 ZINC000127888668 401754557 /nfs/dbraw/zinc/75/45/57/401754557.db2.gz WPUWMZVIRBGRBX-HUUCEWRRSA-N 1 3 311.495 2.412 20 0 DEADHO CCOCCC[N@H+]1CC[C@@H](NCCc2nccs2)[C@H](C)C1 ZINC000127888668 401754560 /nfs/dbraw/zinc/75/45/60/401754560.db2.gz WPUWMZVIRBGRBX-HUUCEWRRSA-N 1 3 311.495 2.412 20 0 DEADHO C[N@H+](CCN1CCCC1=O)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000076109848 401783631 /nfs/dbraw/zinc/78/36/31/401783631.db2.gz JPJLLGPUHODHSH-GOSISDBHSA-N 1 3 315.461 2.063 20 0 DEADHO C[N@@H+](CCN1CCCC1=O)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000076109848 401783633 /nfs/dbraw/zinc/78/36/33/401783633.db2.gz JPJLLGPUHODHSH-GOSISDBHSA-N 1 3 315.461 2.063 20 0 DEADHO C[C@H](Cc1c(Cl)cccc1Cl)NC[C@H](O)C[NH+](C)C ZINC000130134306 401819430 /nfs/dbraw/zinc/81/94/30/401819430.db2.gz OYOMZMOOUBDDCK-MNOVXSKESA-N 1 3 305.249 2.437 20 0 DEADHO C[C@@H](Cc1c(Cl)cccc1Cl)NC[C@@H](O)C[NH+](C)C ZINC000130134524 401819506 /nfs/dbraw/zinc/81/95/06/401819506.db2.gz OYOMZMOOUBDDCK-WDEREUQCSA-N 1 3 305.249 2.437 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC1CCN(C)CC1 ZINC000079205887 401871082 /nfs/dbraw/zinc/87/10/82/401871082.db2.gz YXOZKGHGEISJGI-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC1CCN(C)CC1 ZINC000079205887 401871085 /nfs/dbraw/zinc/87/10/85/401871085.db2.gz YXOZKGHGEISJGI-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]Cc2cnn(CC)c2)[C@@H](C)C1 ZINC000115628882 401833968 /nfs/dbraw/zinc/83/39/68/401833968.db2.gz KYUOSLOULJMNQX-RDJZCZTQSA-N 1 3 308.470 2.130 20 0 DEADHO O=C(C[C@@H]1CC[NH2+]C1)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000130529124 401835036 /nfs/dbraw/zinc/83/50/36/401835036.db2.gz PWJULMKDVDOJIR-ZWKOTPCHSA-N 1 3 315.461 2.157 20 0 DEADHO CC(C)[C@@H](C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(C)C ZINC000130560678 401835744 /nfs/dbraw/zinc/83/57/44/401835744.db2.gz BDXIHZHVVGQMSZ-BBWFWOEESA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)[C@@H](C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N(C)C ZINC000130560678 401835746 /nfs/dbraw/zinc/83/57/46/401835746.db2.gz BDXIHZHVVGQMSZ-BBWFWOEESA-N 1 3 311.514 2.447 20 0 DEADHO C[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)N1CCC(C)CC1 ZINC000115811976 401837615 /nfs/dbraw/zinc/83/76/15/401837615.db2.gz CBOYVTWIXLLKLG-DLBZAZTESA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)N1CCC(C)CC1 ZINC000115811976 401837617 /nfs/dbraw/zinc/83/76/17/401837617.db2.gz CBOYVTWIXLLKLG-DLBZAZTESA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)CCN2CCCC2)C1 ZINC000131021611 401842665 /nfs/dbraw/zinc/84/26/65/401842665.db2.gz MNCNRIBJIGZVGY-QGZVFWFLSA-N 1 3 324.513 2.092 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(C)CCN2CCCC2)C1 ZINC000131021611 401842668 /nfs/dbraw/zinc/84/26/68/401842668.db2.gz MNCNRIBJIGZVGY-QGZVFWFLSA-N 1 3 324.513 2.092 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000079077332 401869743 /nfs/dbraw/zinc/86/97/43/401869743.db2.gz KVFZIARSEQRMAZ-AWEZNQCLSA-N 1 3 324.513 2.469 20 0 DEADHO COc1ccccc1N1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000036156144 401903403 /nfs/dbraw/zinc/90/34/03/401903403.db2.gz QBRCEPSAOXYGAM-UHFFFAOYSA-N 1 3 303.450 2.207 20 0 DEADHO C[NH+]1CCC(NC[C@@H](O)c2cccc(Br)c2)CC1 ZINC000037887366 401918288 /nfs/dbraw/zinc/91/82/88/401918288.db2.gz IKGODMBPNYWKHK-CQSZACIVSA-N 1 3 313.239 2.166 20 0 DEADHO C[C@]1(C(=O)N2CCN(CC3CCCCC3)CC2)CCC[NH2+]C1 ZINC000119925853 401971272 /nfs/dbraw/zinc/97/12/72/401971272.db2.gz XIJBIYMCUSARSF-SFHVURJKSA-N 1 3 307.482 2.101 20 0 DEADHO C[C@@]1(C(=O)N2CCN(CC3CCCCC3)CC2)CCC[NH2+]C1 ZINC000119925973 401971523 /nfs/dbraw/zinc/97/15/23/401971523.db2.gz XIJBIYMCUSARSF-GOSISDBHSA-N 1 3 307.482 2.101 20 0 DEADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2cnn(C(C)C)c2)CC1 ZINC000121364033 402030729 /nfs/dbraw/zinc/03/07/29/402030729.db2.gz USQNESQOLMYAHS-IAGOWNOFSA-N 1 3 321.513 2.388 20 0 DEADHO COc1cc([C@H](C)N[C@H]2CC[N@H+](C)C[C@H]2C)ccc1OCCO ZINC000151669055 402049805 /nfs/dbraw/zinc/04/98/05/402049805.db2.gz RMDZEJLODIXQSP-YCPHGPKFSA-N 1 3 322.449 2.057 20 0 DEADHO COc1cc([C@H](C)N[C@H]2CC[N@@H+](C)C[C@H]2C)ccc1OCCO ZINC000151669055 402049808 /nfs/dbraw/zinc/04/98/08/402049808.db2.gz RMDZEJLODIXQSP-YCPHGPKFSA-N 1 3 322.449 2.057 20 0 DEADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NC1CCN(C2CC2)CC1 ZINC000056786600 402090661 /nfs/dbraw/zinc/09/06/61/402090661.db2.gz MSVAHNAQUULXGW-LSDHHAIUSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NC1CCN(C2CC2)CC1 ZINC000056786600 402090663 /nfs/dbraw/zinc/09/06/63/402090663.db2.gz MSVAHNAQUULXGW-LSDHHAIUSA-N 1 3 322.497 2.033 20 0 DEADHO Cc1cccc(C[NH+]2CCC(NC(=O)CN(C)C(C)C)CC2)c1 ZINC000063467419 402112882 /nfs/dbraw/zinc/11/28/82/402112882.db2.gz RELCDUIQGFZNQD-UHFFFAOYSA-N 1 3 317.477 2.416 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)CN(C)C(C)C)Cc1ccccc1 ZINC000063466438 402113020 /nfs/dbraw/zinc/11/30/20/402113020.db2.gz AQFSASWAQGZBGO-SFHVURJKSA-N 1 3 319.493 2.396 20 0 DEADHO C[C@H](C(=O)N1CCCCC1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123539710 402133275 /nfs/dbraw/zinc/13/32/75/402133275.db2.gz BXIVXYLKVWQDEY-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO CC[NH+](CC)CCCNC(=O)NCC(C)(C)N1CCCCC1 ZINC000125544915 402238137 /nfs/dbraw/zinc/23/81/37/402238137.db2.gz VMGKCBLRCYVRNS-UHFFFAOYSA-N 1 3 312.502 2.282 20 0 DEADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCN(C)C2)C1 ZINC000108562964 402257468 /nfs/dbraw/zinc/25/74/68/402257468.db2.gz QRJYBRRCFMJLSS-HOTGVXAUSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCN(C)C2)C1 ZINC000108562964 402257471 /nfs/dbraw/zinc/25/74/71/402257471.db2.gz QRJYBRRCFMJLSS-HOTGVXAUSA-N 1 3 324.513 2.138 20 0 DEADHO CCC1(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000176604512 402322888 /nfs/dbraw/zinc/32/28/88/402322888.db2.gz IOYKEIKNGFYFTL-UHFFFAOYSA-N 1 3 322.497 2.034 20 0 DEADHO CCN(C)CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176276154 402296233 /nfs/dbraw/zinc/29/62/33/402296233.db2.gz VYDSELSPPGLKBO-UHFFFAOYSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@@H](CNC(=O)N(CCN(C)C)C1CCCC1)C[NH+]1CCCC1 ZINC000176831205 402340917 /nfs/dbraw/zinc/34/09/17/402340917.db2.gz YIQKYGRPRJMGNS-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO CCN(CCNC(=O)N[C@@H](C)C[NH+]1CCCCCC1)C1CC1 ZINC000185330211 402343887 /nfs/dbraw/zinc/34/38/87/402343887.db2.gz JQYKAALJHHUWAY-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO CC(C)(C[NH3+])C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000236612200 402368404 /nfs/dbraw/zinc/36/84/04/402368404.db2.gz WBFZOEMFRNXWLF-INIZCTEOSA-N 1 3 303.450 2.142 20 0 DEADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C3(N)CCCC3)C2)CC1 ZINC000236624352 402369552 /nfs/dbraw/zinc/36/95/52/402369552.db2.gz HCTVJCAAALGDOV-INIZCTEOSA-N 1 3 307.482 2.228 20 0 DEADHO CC[C@H](N)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000236917905 402388487 /nfs/dbraw/zinc/38/84/87/402388487.db2.gz YYUYHVJBTNCWFI-YOEHRIQHSA-N 1 3 303.450 2.272 20 0 DEADHO CC[C@H](N)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000236917905 402388490 /nfs/dbraw/zinc/38/84/90/402388490.db2.gz YYUYHVJBTNCWFI-YOEHRIQHSA-N 1 3 303.450 2.272 20 0 DEADHO CNCC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000237241747 402401386 /nfs/dbraw/zinc/40/13/86/402401386.db2.gz ZOCDLECTBBTTTA-UHFFFAOYSA-N 1 3 303.450 2.287 20 0 DEADHO CNCC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000237241747 402401389 /nfs/dbraw/zinc/40/13/89/402401389.db2.gz ZOCDLECTBBTTTA-UHFFFAOYSA-N 1 3 303.450 2.287 20 0 DEADHO CNCC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000237242047 402401440 /nfs/dbraw/zinc/40/14/40/402401440.db2.gz ACTXLLMKAOTDOG-GASCZTMLSA-N 1 3 303.450 2.000 20 0 DEADHO CNCC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000237242047 402401441 /nfs/dbraw/zinc/40/14/41/402401441.db2.gz ACTXLLMKAOTDOG-GASCZTMLSA-N 1 3 303.450 2.000 20 0 DEADHO C[NH2+]C[C@H](C)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000237325111 402404520 /nfs/dbraw/zinc/40/45/20/402404520.db2.gz UYNVDKSJCMJFSD-YDHLFZDLSA-N 1 3 309.479 2.103 20 0 DEADHO O=C(CCC1CC[NH2+]CC1)N1CCC[C@H]1CN1CCCCC1 ZINC000237944876 402427344 /nfs/dbraw/zinc/42/73/44/402427344.db2.gz HXZRLGCMMDGCAR-KRWDZBQOSA-N 1 3 307.482 2.243 20 0 DEADHO C[C@H]1CCC[C@H]1CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000185924299 402389629 /nfs/dbraw/zinc/38/96/29/402389629.db2.gz GTKDBYSTQSAJNR-HOTGVXAUSA-N 1 3 321.509 2.488 20 0 DEADHO CCn1cc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000178038227 402454389 /nfs/dbraw/zinc/45/43/89/402454389.db2.gz BKRBSGJHWMGKPB-XHSDSOJGSA-N 1 3 308.470 2.443 20 0 DEADHO C[C@@H](N)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000164845282 402469762 /nfs/dbraw/zinc/46/97/62/402469762.db2.gz HTNHTSCUFQRWDE-SOUVJXGZSA-N 1 3 303.450 2.128 20 0 DEADHO C[C@@H](CC(=O)N1CCC[C@H]1CN1CCCCC1)C1CC[NH2+]CC1 ZINC000165689215 402478020 /nfs/dbraw/zinc/47/80/20/402478020.db2.gz FODQQODXXMRKCF-WMZOPIPTSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H](CNC(=O)N(C)CC1CC[NH+](C)CC1)N1CCC[C@H](C)C1 ZINC000245811108 402489922 /nfs/dbraw/zinc/48/99/22/402489922.db2.gz GRKSQMBVGHSGKL-JKSUJKDBSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000167538150 402491929 /nfs/dbraw/zinc/49/19/29/402491929.db2.gz DPJKFCHMLAUNSU-CGTJXYLNSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@]2(C)CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000167541604 402491960 /nfs/dbraw/zinc/49/19/60/402491960.db2.gz QDKHOPMQKLWQJU-SZVBFZGTSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H](NC(C)(C)CNC(=O)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000167617616 402492539 /nfs/dbraw/zinc/49/25/39/402492539.db2.gz SRKSBIKUJGWQCY-ZBFHGGJFSA-N 1 3 303.450 2.232 20 0 DEADHO CN(C(=O)[C@H]1CCC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000167667398 402492891 /nfs/dbraw/zinc/49/28/91/402492891.db2.gz KWGWISMUZVALDT-KRWDZBQOSA-N 1 3 315.461 2.109 20 0 DEADHO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H]3CCCCN3)cc21 ZINC000169234031 402500587 /nfs/dbraw/zinc/50/05/87/402500587.db2.gz GPIUGSYYROCQPS-MRXNPFEDSA-N 1 3 314.433 2.284 20 0 DEADHO CC(C)C[C@H](N)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000178857985 402547274 /nfs/dbraw/zinc/54/72/74/402547274.db2.gz IAXTXXXGLBKDPF-WBVHZDCISA-N 1 3 305.466 2.387 20 0 DEADHO CC(C)C[C@H](N)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000178857985 402547276 /nfs/dbraw/zinc/54/72/76/402547276.db2.gz IAXTXXXGLBKDPF-WBVHZDCISA-N 1 3 305.466 2.387 20 0 DEADHO CCOC(=O)N[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)CC(C)C ZINC000247103585 402557038 /nfs/dbraw/zinc/55/70/38/402557038.db2.gz QBZXKFDPHORBIV-FXUDXRNXSA-N 1 3 313.486 2.466 20 0 DEADHO CCOC(=O)N[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)CC(C)C ZINC000247103585 402557040 /nfs/dbraw/zinc/55/70/40/402557040.db2.gz QBZXKFDPHORBIV-FXUDXRNXSA-N 1 3 313.486 2.466 20 0 DEADHO CCOC(=O)N[C@H](CN[C@@H]1CC[N@H+](CC)C[C@H]1C)CC(C)C ZINC000247193493 402559471 /nfs/dbraw/zinc/55/94/71/402559471.db2.gz VXTJSEWDHUZGJD-OWCLPIDISA-N 1 3 313.486 2.467 20 0 DEADHO CCOC(=O)N[C@H](CN[C@@H]1CC[N@@H+](CC)C[C@H]1C)CC(C)C ZINC000247193493 402559473 /nfs/dbraw/zinc/55/94/73/402559473.db2.gz VXTJSEWDHUZGJD-OWCLPIDISA-N 1 3 313.486 2.467 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)C1 ZINC000246266622 402522356 /nfs/dbraw/zinc/52/23/56/402522356.db2.gz ACCCAOBYHDGFOH-VVLHAWIVSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)C1 ZINC000246266622 402522357 /nfs/dbraw/zinc/52/23/57/402522357.db2.gz ACCCAOBYHDGFOH-VVLHAWIVSA-N 1 3 309.498 2.342 20 0 DEADHO NC1(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC000178731468 402532106 /nfs/dbraw/zinc/53/21/06/402532106.db2.gz WXRFBPAPXACJAL-UHFFFAOYSA-N 1 3 315.461 2.286 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000246511542 402534508 /nfs/dbraw/zinc/53/45/08/402534508.db2.gz XAXHBPVLAASPPS-IRXDYDNUSA-N 1 3 322.497 2.034 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000246511542 402534510 /nfs/dbraw/zinc/53/45/10/402534510.db2.gz XAXHBPVLAASPPS-IRXDYDNUSA-N 1 3 322.497 2.034 20 0 DEADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000247920051 402577944 /nfs/dbraw/zinc/57/79/44/402577944.db2.gz BQMXHKMOJCOIJK-HUUCEWRRSA-N 1 3 311.470 2.460 20 0 DEADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000247920051 402577945 /nfs/dbraw/zinc/57/79/45/402577945.db2.gz BQMXHKMOJCOIJK-HUUCEWRRSA-N 1 3 311.470 2.460 20 0 DEADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000190207530 402584981 /nfs/dbraw/zinc/58/49/81/402584981.db2.gz PCSXQPFZBPOIAB-CVEARBPZSA-N 1 3 324.513 2.375 20 0 DEADHO CC[NH+](CC)CCNC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000180309739 402612583 /nfs/dbraw/zinc/61/25/83/402612583.db2.gz SEHXZOMMFGCWEZ-MRXNPFEDSA-N 1 3 320.481 2.148 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnn3ccccc23)C[C@H](C)O1 ZINC000171763449 402619639 /nfs/dbraw/zinc/61/96/39/402619639.db2.gz QAYNEAXICUVXIW-IYBDPMFKSA-N 1 3 316.449 2.313 20 0 DEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000251880333 402650959 /nfs/dbraw/zinc/65/09/59/402650959.db2.gz UUFUFIQTEGFZJD-BRWVUGGUSA-N 1 3 324.513 2.233 20 0 DEADHO CN(C(=O)c1ccc(C[NH3+])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000261551263 402713824 /nfs/dbraw/zinc/71/38/24/402713824.db2.gz LYRXFYAOYILQMQ-IBGZPJMESA-N 1 3 323.440 2.492 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)C1 ZINC000253545721 402668038 /nfs/dbraw/zinc/66/80/38/402668038.db2.gz BKXDQKRXAOHURS-YVSFHVDLSA-N 1 3 309.498 2.438 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)C1 ZINC000253545721 402668042 /nfs/dbraw/zinc/66/80/42/402668042.db2.gz BKXDQKRXAOHURS-YVSFHVDLSA-N 1 3 309.498 2.438 20 0 DEADHO C[C@@H](NC(=O)NC1CCN(C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182360462 402683756 /nfs/dbraw/zinc/68/37/56/402683756.db2.gz PWJMGSHDGATGMA-CABCVRRESA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](NC(=O)NC1CCN(C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182360462 402683757 /nfs/dbraw/zinc/68/37/57/402683757.db2.gz PWJMGSHDGATGMA-CABCVRRESA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](CC(=O)N(CCN(C)C)C1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000262318576 402724536 /nfs/dbraw/zinc/72/45/36/402724536.db2.gz QRLJVHWPAOXJAB-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)N[C@@H](C)CC[NH+](C)C)N(C)C)cc1 ZINC000263791849 402804502 /nfs/dbraw/zinc/80/45/02/402804502.db2.gz YOHVJAKJXLRDEX-DOTOQJQBSA-N 1 3 320.481 2.237 20 0 DEADHO C[C@@H](C[S@@](C)=O)N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000184297259 402833964 /nfs/dbraw/zinc/83/39/64/402833964.db2.gz CBNGMTVXRDJDRJ-DGCWBMGLSA-N 1 3 312.479 2.045 20 0 DEADHO C[C@H](C[S@@](C)=O)N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000184306996 402834429 /nfs/dbraw/zinc/83/44/29/402834429.db2.gz QSGIBEVILZBMEP-HKZYLEAXSA-N 1 3 312.479 2.045 20 0 DEADHO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(CCN(C)C)CC2)C12CCCC2 ZINC000181467960 286277596 /nfs/dbraw/zinc/27/75/96/286277596.db2.gz LEMGWHPPZZJZEW-QZTJIDSGSA-N 1 3 323.525 2.340 20 0 DEADHO CCN(CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000264144927 402851098 /nfs/dbraw/zinc/85/10/98/402851098.db2.gz FZNUSMKXCWEZTE-UHFFFAOYSA-N 1 3 315.461 2.497 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272230547 402912336 /nfs/dbraw/zinc/91/23/36/402912336.db2.gz DUNRLONXRGLVCA-AEFFLSMTSA-N 1 3 317.477 2.355 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272230547 402912338 /nfs/dbraw/zinc/91/23/38/402912338.db2.gz DUNRLONXRGLVCA-AEFFLSMTSA-N 1 3 317.477 2.355 20 0 DEADHO CC[C@H](CNC(=O)CCCC[NH3+])N1CCc2ccccc2C1 ZINC000566559939 292252017 /nfs/dbraw/zinc/25/20/17/292252017.db2.gz FWCRBKPNKDWCHE-QGZVFWFLSA-N 1 3 303.450 2.069 20 0 DEADHO CCN1CCC(C[NH2+][C@H](C)CS(=O)(=O)c2ccccc2)CC1 ZINC000566589019 292253597 /nfs/dbraw/zinc/25/35/97/292253597.db2.gz HEAYCIYAQLPDOS-OAHLLOKOSA-N 1 3 324.490 2.170 20 0 DEADHO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC2(O)CCN(C)CC2)C1 ZINC000281674138 403080537 /nfs/dbraw/zinc/08/05/37/403080537.db2.gz RAMKRCPGPHBBKC-IAGOWNOFSA-N 1 3 317.477 2.463 20 0 DEADHO CC(C)[NH+]1CCC(O)(CNCc2cc(F)c(F)c(F)c2)CC1 ZINC000268458446 403085114 /nfs/dbraw/zinc/08/51/14/403085114.db2.gz YPPGACKUPMBZOA-UHFFFAOYSA-N 1 3 316.367 2.429 20 0 DEADHO CC(C)(C)C1CCC(C[N@@H+]2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000566629977 292257523 /nfs/dbraw/zinc/25/75/23/292257523.db2.gz MZWMGIIGTWXFAH-FJBKBRRZSA-N 1 3 307.482 2.083 20 0 DEADHO CC(C)(C)C1CCC(C[N@H+]2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000566629977 292257525 /nfs/dbraw/zinc/25/75/25/292257525.db2.gz MZWMGIIGTWXFAH-FJBKBRRZSA-N 1 3 307.482 2.083 20 0 DEADHO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@@H](C1CC1)N1CCCC1 ZINC000566638642 292257911 /nfs/dbraw/zinc/25/79/11/292257911.db2.gz SKEBFXPDYKKTKD-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@@H](C1CC1)N1CCCC1 ZINC000566638642 292257912 /nfs/dbraw/zinc/25/79/12/292257912.db2.gz SKEBFXPDYKKTKD-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H](Cc1ccc(F)cc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000281863004 403099358 /nfs/dbraw/zinc/09/93/58/403099358.db2.gz AOUKKIPHWBBHAF-HNNXBMFYSA-N 1 3 307.457 2.372 20 0 DEADHO C[C@@H](CC[NH+](C)C)NC(=O)Nc1ccccc1CCN(C)C ZINC000275709804 403117579 /nfs/dbraw/zinc/11/75/79/403117579.db2.gz UNCWTBSRYFUDHR-AWEZNQCLSA-N 1 3 306.454 2.252 20 0 DEADHO COc1cccc2c1CC[C@@H]2[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282175510 403129439 /nfs/dbraw/zinc/12/94/39/403129439.db2.gz FIIWAVJYQOTQOW-KRWDZBQOSA-N 1 3 317.477 2.298 20 0 DEADHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1cccc(O)c1 ZINC000282263051 403137866 /nfs/dbraw/zinc/13/78/66/403137866.db2.gz KBFATPJAHYLDFS-DOPJRALCSA-N 1 3 304.434 2.421 20 0 DEADHO CCOc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1F ZINC000282357470 403146375 /nfs/dbraw/zinc/14/63/75/403146375.db2.gz NAVICSKOVPTZMV-UHFFFAOYSA-N 1 3 323.456 2.340 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)N(C)C)cc1 ZINC000342696736 403311822 /nfs/dbraw/zinc/31/18/22/403311822.db2.gz RLBFYMHIYOLQCC-JLSDUUJJSA-N 1 3 317.477 2.356 20 0 DEADHO N[C@H](CC(F)F)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000345715571 403452198 /nfs/dbraw/zinc/45/21/98/403452198.db2.gz QDNGPIIFEMNJDM-CQSZACIVSA-N 1 3 317.424 2.084 20 0 DEADHO N[C@H](CC(F)F)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000345715571 403452201 /nfs/dbraw/zinc/45/22/01/403452201.db2.gz QDNGPIIFEMNJDM-CQSZACIVSA-N 1 3 317.424 2.084 20 0 DEADHO CC[C@@H](C(=O)NCCN(C)Cc1ccccc1)[NH+](CC)CC ZINC000345807623 403492227 /nfs/dbraw/zinc/49/22/27/403492227.db2.gz QVCNPHBCPJHACZ-KRWDZBQOSA-N 1 3 305.466 2.355 20 0 DEADHO CN(C)[C@H](CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+])Cc1ccccc1 ZINC000345782617 403482829 /nfs/dbraw/zinc/48/28/29/403482829.db2.gz ZFFKXDSTVUJIEJ-YQVWRLOYSA-N 1 3 317.477 2.183 20 0 DEADHO C[C@H](CNC(=O)N1CCC(C[NH+](C)C)CC1)N1CCC(C)CC1 ZINC000339993636 403519773 /nfs/dbraw/zinc/51/97/73/403519773.db2.gz XTZIOGOICABIJK-MRXNPFEDSA-N 1 3 324.513 2.090 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000343448470 403594044 /nfs/dbraw/zinc/59/40/44/403594044.db2.gz OKWQWILNLWRKKX-RDTXWAMCSA-N 1 3 320.456 2.287 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000346653261 403596970 /nfs/dbraw/zinc/59/69/70/403596970.db2.gz PCKVDRUOOOFRJO-IXDOHACOSA-N 1 3 307.482 2.336 20 0 DEADHO OCCN1CCN(CCCC[NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000340243271 403574792 /nfs/dbraw/zinc/57/47/92/403574792.db2.gz NDQDYVXETNNIST-GOSISDBHSA-N 1 3 323.525 2.079 20 0 DEADHO C[C@H](NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(C)(C)n1cncn1 ZINC000340474875 403623546 /nfs/dbraw/zinc/62/35/46/403623546.db2.gz OVVWPAMVTBJLFD-XHSDSOJGSA-N 1 3 307.486 2.359 20 0 DEADHO C[C@H](NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(C)(C)n1cncn1 ZINC000340474875 403623549 /nfs/dbraw/zinc/62/35/49/403623549.db2.gz OVVWPAMVTBJLFD-XHSDSOJGSA-N 1 3 307.486 2.359 20 0 DEADHO C[C@H]([NH2+]CCCN1C[C@H](C)C[C@H](C)C1)C(C)(C)n1cncn1 ZINC000340474875 403623552 /nfs/dbraw/zinc/62/35/52/403623552.db2.gz OVVWPAMVTBJLFD-XHSDSOJGSA-N 1 3 307.486 2.359 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCC1=CCN(C)CC1 ZINC000343685909 403692394 /nfs/dbraw/zinc/69/23/94/403692394.db2.gz CRXMMLXEGRQIRB-KRWDZBQOSA-N 1 3 322.497 2.202 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCC1=CCN(C)CC1 ZINC000343685909 403692396 /nfs/dbraw/zinc/69/23/96/403692396.db2.gz CRXMMLXEGRQIRB-KRWDZBQOSA-N 1 3 322.497 2.202 20 0 DEADHO N[C@H](C(=O)NCC1([NH+]2CCCCC2)CCCCC1)C1CCC1 ZINC000333274360 403713319 /nfs/dbraw/zinc/71/33/19/403713319.db2.gz LCBINQSRCQBOOQ-INIZCTEOSA-N 1 3 307.482 2.419 20 0 DEADHO C[C@H]1CC[NH2+]C[C@H]1NC1CCC2(CC1)c1ccccc1NC2=O ZINC000333317199 403722974 /nfs/dbraw/zinc/72/29/74/403722974.db2.gz SZSGOPRYFCYSCH-PBCKZISKSA-N 1 3 313.445 2.407 20 0 DEADHO Cc1cnc(CNCCc2ccc(OCC[NH+](C)C)cc2)n1C ZINC000341016670 403737206 /nfs/dbraw/zinc/73/72/06/403737206.db2.gz UDSAJNYWDCMHPU-UHFFFAOYSA-N 1 3 316.449 2.001 20 0 DEADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc3c(c2)CNC3)C1 ZINC000347531650 403743610 /nfs/dbraw/zinc/74/36/10/403743610.db2.gz OIOYNGCEECWGFJ-OAHLLOKOSA-N 1 3 313.445 2.094 20 0 DEADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc3c(c2)CNC3)C1 ZINC000347531650 403743611 /nfs/dbraw/zinc/74/36/11/403743611.db2.gz OIOYNGCEECWGFJ-OAHLLOKOSA-N 1 3 313.445 2.094 20 0 DEADHO Cc1cc(C)cc(OC[C@@H](O)CN2CCC(C[NH+](C)C)CC2)c1 ZINC000341184262 403813168 /nfs/dbraw/zinc/81/31/68/403813168.db2.gz INXRCEXHWGVPIH-SFHVURJKSA-N 1 3 320.477 2.317 20 0 DEADHO C[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccccc1 ZINC000343968044 403814819 /nfs/dbraw/zinc/81/48/19/403814819.db2.gz BAZZVQYZSODSTA-OAHLLOKOSA-N 1 3 303.450 2.280 20 0 DEADHO C[C@H]1CN(C(=O)NCCN2CCC3(CCCCC3)CC2)C[C@@H]1[NH3+] ZINC000333719830 403831386 /nfs/dbraw/zinc/83/13/86/403831386.db2.gz GLCDBKUXEVBOQS-HOTGVXAUSA-N 1 3 322.497 2.021 20 0 DEADHO CN(C)[C@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000368751965 403846676 /nfs/dbraw/zinc/84/66/76/403846676.db2.gz WJSIZBUQSYBGQC-NVXWUHKLSA-N 1 3 303.450 2.185 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000341239555 403855956 /nfs/dbraw/zinc/85/59/56/403855956.db2.gz MGDRFARZAJZXRV-ZBFHGGJFSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000341242825 403860783 /nfs/dbraw/zinc/86/07/83/403860783.db2.gz WPGNGRHQPFRADR-GDBMZVCRSA-N 1 3 322.497 2.033 20 0 DEADHO CC[C@H](NCC(=O)NC1CC[NH+](CC)CC1)c1cccs1 ZINC000411511933 403878052 /nfs/dbraw/zinc/87/80/52/403878052.db2.gz KIXUUJZWVDILDA-AWEZNQCLSA-N 1 3 309.479 2.389 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCN(CCC(=O)NCc2ccccc2Cl)C1 ZINC000351854345 403963598 /nfs/dbraw/zinc/96/35/98/403963598.db2.gz QMGNONDKJOVICI-JSGCOSHPSA-N 1 3 309.841 2.015 20 0 DEADHO OC[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCCO1 ZINC000411657957 403928312 /nfs/dbraw/zinc/92/83/12/403928312.db2.gz JYQYPPOYLFMNMK-RTBURBONSA-N 1 3 318.461 2.302 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000337369621 403982838 /nfs/dbraw/zinc/98/28/38/403982838.db2.gz OMERTQTXKVPNEZ-BRWVUGGUSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000337369621 403982841 /nfs/dbraw/zinc/98/28/41/403982841.db2.gz OMERTQTXKVPNEZ-BRWVUGGUSA-N 1 3 324.513 2.423 20 0 DEADHO CC[C@@H]1CCCN1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000354812018 404029434 /nfs/dbraw/zinc/02/94/34/404029434.db2.gz XHDYRPBRNUXVBZ-SJORKVTESA-N 1 3 303.450 2.280 20 0 DEADHO CC[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000354812018 404029441 /nfs/dbraw/zinc/02/94/41/404029441.db2.gz XHDYRPBRNUXVBZ-SJORKVTESA-N 1 3 303.450 2.280 20 0 DEADHO CC[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000354812018 404029447 /nfs/dbraw/zinc/02/94/47/404029447.db2.gz XHDYRPBRNUXVBZ-SJORKVTESA-N 1 3 303.450 2.280 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000290231998 404091901 /nfs/dbraw/zinc/09/19/01/404091901.db2.gz URQXMGYAPYTLQO-GJZGRUSLSA-N 1 3 319.449 2.262 20 0 DEADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000363162873 404098232 /nfs/dbraw/zinc/09/82/32/404098232.db2.gz PMLRENIAFHVLKC-WMZOPIPTSA-N 1 3 315.461 2.109 20 0 DEADHO CO[C@]1(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)CCOC1 ZINC000348217451 404052710 /nfs/dbraw/zinc/05/27/10/404052710.db2.gz AONXBZXDLUZIMO-WDSOQIARSA-N 1 3 318.461 2.292 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000341617107 404071705 /nfs/dbraw/zinc/07/17/05/404071705.db2.gz QLDYCGCFCNLOFY-KBMXLJTQSA-N 1 3 324.513 2.135 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1C=CCC1 ZINC000337589957 404115857 /nfs/dbraw/zinc/11/58/57/404115857.db2.gz WJGRIRAXWFZVRB-DLBZAZTESA-N 1 3 307.482 2.217 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1C=CCC1 ZINC000337589957 404115858 /nfs/dbraw/zinc/11/58/58/404115858.db2.gz WJGRIRAXWFZVRB-DLBZAZTESA-N 1 3 307.482 2.217 20 0 DEADHO C[C@@H](NCCc1ccc(OCC[NH+](C)C)cc1)c1nccn1C ZINC000341708136 404126385 /nfs/dbraw/zinc/12/63/85/404126385.db2.gz PFPBZZOSFQIMGP-OAHLLOKOSA-N 1 3 316.449 2.254 20 0 DEADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(OC)c(O)c1 ZINC000290854786 404338123 /nfs/dbraw/zinc/33/81/23/404338123.db2.gz ZUFJFDPDBKJIRA-DZGCQCFKSA-N 1 3 310.438 2.408 20 0 DEADHO CC[NH+](CC)CC1CCN(Cc2c[nH]c(C(=O)OC)c2)CC1 ZINC000350174331 404340117 /nfs/dbraw/zinc/34/01/17/404340117.db2.gz BILKXGPUKYFFAC-UHFFFAOYSA-N 1 3 307.438 2.355 20 0 DEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C)CC[C@@H]1C ZINC000355502231 404344871 /nfs/dbraw/zinc/34/48/71/404344871.db2.gz GSOCVGZZXFRANN-TWMKSMIVSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C)CC[C@@H]1C ZINC000355502231 404344879 /nfs/dbraw/zinc/34/48/79/404344879.db2.gz GSOCVGZZXFRANN-TWMKSMIVSA-N 1 3 324.513 2.088 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)CC1 ZINC000344700565 404316758 /nfs/dbraw/zinc/31/67/58/404316758.db2.gz PHZGVFADSKHKKR-MRXNPFEDSA-N 1 3 321.509 2.440 20 0 DEADHO CN(c1ccccc1CN1CCCOCC1)C1CC[NH+](C)CC1 ZINC000370071756 404325364 /nfs/dbraw/zinc/32/53/64/404325364.db2.gz IRVYTAXISZGQAG-UHFFFAOYSA-N 1 3 317.477 2.439 20 0 DEADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC(C)(C)OCCO)CC1 ZINC000352478128 404399242 /nfs/dbraw/zinc/39/92/42/404399242.db2.gz SODWSMOZQNCPMX-DOTOQJQBSA-N 1 3 312.498 2.407 20 0 DEADHO C[C@H]1CCCC[C@H]1N1CCC([NH2+]CC(C)(C)OCCO)CC1 ZINC000352478128 404399247 /nfs/dbraw/zinc/39/92/47/404399247.db2.gz SODWSMOZQNCPMX-DOTOQJQBSA-N 1 3 312.498 2.407 20 0 DEADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC(C)(C)OCCO)CC2)C1 ZINC000352488753 404406735 /nfs/dbraw/zinc/40/67/35/404406735.db2.gz UEQBSCRRHBWVAB-NVXWUHKLSA-N 1 3 312.498 2.407 20 0 DEADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CC(C)(C)OCCO)CC2)C1 ZINC000352488753 404406744 /nfs/dbraw/zinc/40/67/44/404406744.db2.gz UEQBSCRRHBWVAB-NVXWUHKLSA-N 1 3 312.498 2.407 20 0 DEADHO C(CN[C@@H]1CCCC[C@H]1N1CCOCC1)C[NH+]1CCCCC1 ZINC000373068176 404527116 /nfs/dbraw/zinc/52/71/16/404527116.db2.gz DNIJAXAMUSAPHR-QZTJIDSGSA-N 1 3 309.498 2.095 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C[C@H](C)O1 ZINC000567453340 292314137 /nfs/dbraw/zinc/31/41/37/292314137.db2.gz MATNQAGSICPSGC-SFUIVIKGSA-N 1 3 318.461 2.299 20 0 DEADHO CC[C@@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)cn1 ZINC000352749965 404592183 /nfs/dbraw/zinc/59/21/83/404592183.db2.gz VBYBQUYHIVRRJS-JKSUJKDBSA-N 1 3 309.429 2.498 20 0 DEADHO CC[C@@H](NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)cn1 ZINC000352749965 404592194 /nfs/dbraw/zinc/59/21/94/404592194.db2.gz VBYBQUYHIVRRJS-JKSUJKDBSA-N 1 3 309.429 2.498 20 0 DEADHO C[C@H]1CN(CCC2CC[NH+](CC3(O)CCC3)CC2)C[C@H](C)O1 ZINC000342354904 404528819 /nfs/dbraw/zinc/52/88/19/404528819.db2.gz HHPSLXPUXZKPRS-HOTGVXAUSA-N 1 3 310.482 2.113 20 0 DEADHO CC[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)[C@H]1CC1(C)C ZINC000414199817 404546922 /nfs/dbraw/zinc/54/69/22/404546922.db2.gz RLWAFMZHZWHMDO-SJORKVTESA-N 1 3 323.525 2.197 20 0 DEADHO CC[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)[C@@H]1CC1(C)C ZINC000414199816 404547176 /nfs/dbraw/zinc/54/71/76/404547176.db2.gz RLWAFMZHZWHMDO-IRXDYDNUSA-N 1 3 323.525 2.197 20 0 DEADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C2CCN(C3CC3)CC2)C1 ZINC000338836311 404573092 /nfs/dbraw/zinc/57/30/92/404573092.db2.gz KOWYVUYVAAZHGV-MRXNPFEDSA-N 1 3 319.493 2.051 20 0 DEADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C2CCN(C3CC3)CC2)C1 ZINC000338836311 404573098 /nfs/dbraw/zinc/57/30/98/404573098.db2.gz KOWYVUYVAAZHGV-MRXNPFEDSA-N 1 3 319.493 2.051 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)NCC[N@H+](C)C(C)C)c1ccco1 ZINC000352722213 404574746 /nfs/dbraw/zinc/57/47/46/404574746.db2.gz OCAKAJXOIUKINM-LSDHHAIUSA-N 1 3 324.469 2.348 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)NCC[N@@H+](C)C(C)C)c1ccco1 ZINC000352722213 404574752 /nfs/dbraw/zinc/57/47/52/404574752.db2.gz OCAKAJXOIUKINM-LSDHHAIUSA-N 1 3 324.469 2.348 20 0 DEADHO CC[N@@H+]1CC[C@H](CN[C@H](C)c2ccc(CCNC(C)=O)cc2)C1 ZINC000356674425 404649990 /nfs/dbraw/zinc/64/99/90/404649990.db2.gz IZPAVEXTJZNUJG-CRAIPNDOSA-N 1 3 317.477 2.358 20 0 DEADHO CC[N@H+]1CC[C@H](CN[C@H](C)c2ccc(CCNC(C)=O)cc2)C1 ZINC000356674425 404649997 /nfs/dbraw/zinc/64/99/97/404649997.db2.gz IZPAVEXTJZNUJG-CRAIPNDOSA-N 1 3 317.477 2.358 20 0 DEADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(CCNC(C)=O)cc2)C1 ZINC000356674425 404650003 /nfs/dbraw/zinc/65/00/03/404650003.db2.gz IZPAVEXTJZNUJG-CRAIPNDOSA-N 1 3 317.477 2.358 20 0 DEADHO CN1CCC(C[NH2+]CCC2CCCCC2)(N2CCOCC2)CC1 ZINC000414485161 404650642 /nfs/dbraw/zinc/65/06/42/404650642.db2.gz PBKGYOXPKMKNFG-UHFFFAOYSA-N 1 3 323.525 2.343 20 0 DEADHO C[C@@H]1CCC[C@H](C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000414488946 404653196 /nfs/dbraw/zinc/65/31/96/404653196.db2.gz VCKVICWUWLBNMT-MSOLQXFVSA-N 1 3 323.525 2.199 20 0 DEADHO C[N@H+](C[C@H](O)CN1CCC[C@@H](Cc2ccccc2)C1)C1CC1 ZINC000351487224 404598667 /nfs/dbraw/zinc/59/86/67/404598667.db2.gz BUJCVBYCMWSQBJ-HKUYNNGSSA-N 1 3 302.462 2.396 20 0 DEADHO C[N@@H+](C[C@H](O)CN1CCC[C@@H](Cc2ccccc2)C1)C1CC1 ZINC000351487224 404598673 /nfs/dbraw/zinc/59/86/73/404598673.db2.gz BUJCVBYCMWSQBJ-HKUYNNGSSA-N 1 3 302.462 2.396 20 0 DEADHO Cc1nccn1C[C@@H](C)C[NH2+]Cc1ncc(CN(C)C)s1 ZINC000352759208 404599018 /nfs/dbraw/zinc/59/90/18/404599018.db2.gz JFACCEUWSXEMGB-LBPRGKRZSA-N 1 3 307.467 2.136 20 0 DEADHO CN(C[C@H](O)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000351500179 404611023 /nfs/dbraw/zinc/61/10/23/404611023.db2.gz WTXAPPKJGMAXFH-HKUYNNGSSA-N 1 3 323.525 2.030 20 0 DEADHO [NH3+][C@@H]1CC[C@@H]2CN(CCC(=O)NCc3ccccc3Cl)C[C@@H]12 ZINC000351497858 404612589 /nfs/dbraw/zinc/61/25/89/404612589.db2.gz VAYDFFJDZRQKNW-IIAWOOMASA-N 1 3 321.852 2.015 20 0 DEADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H](CO)[C@@H]2CCCOC2)CC1 ZINC000414537982 404671103 /nfs/dbraw/zinc/67/11/03/404671103.db2.gz AHJRVCWJLBGUNS-RWQQGDIJSA-N 1 3 324.509 2.407 20 0 DEADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H](CO)[C@@H]2CCCOC2)CC1 ZINC000414537982 404671107 /nfs/dbraw/zinc/67/11/07/404671107.db2.gz AHJRVCWJLBGUNS-RWQQGDIJSA-N 1 3 324.509 2.407 20 0 DEADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H](CO)[C@H]2CCCOC2)CC1 ZINC000414537981 404671214 /nfs/dbraw/zinc/67/12/14/404671214.db2.gz AHJRVCWJLBGUNS-NEPXVJNWSA-N 1 3 324.509 2.407 20 0 DEADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H](CO)[C@H]2CCCOC2)CC1 ZINC000414537981 404671220 /nfs/dbraw/zinc/67/12/20/404671220.db2.gz AHJRVCWJLBGUNS-NEPXVJNWSA-N 1 3 324.509 2.407 20 0 DEADHO C[NH2+]CCC1CCN(Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC000414654271 404701088 /nfs/dbraw/zinc/70/10/88/404701088.db2.gz BTAHBPGKSSLKSR-UHFFFAOYSA-N 1 3 308.422 2.231 20 0 DEADHO CCOC(=O)c1ccc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000414784419 404734630 /nfs/dbraw/zinc/73/46/30/404734630.db2.gz RENDBKUBBZJXLH-KBPBESRZSA-N 1 3 306.406 2.278 20 0 DEADHO CCOC(=O)c1ccc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000414784423 404734919 /nfs/dbraw/zinc/73/49/19/404734919.db2.gz RENDBKUBBZJXLH-ZIAGYGMSSA-N 1 3 306.406 2.278 20 0 DEADHO c1csc(-c2ncc(CNCCCN3CC[NH2+]CC3)s2)c1 ZINC000414785279 404734984 /nfs/dbraw/zinc/73/49/84/404734984.db2.gz UWKIFPUWSWCOIR-UHFFFAOYSA-N 1 3 322.503 2.257 20 0 DEADHO COc1c(C)cc(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1C ZINC000414795394 404737944 /nfs/dbraw/zinc/73/79/44/404737944.db2.gz WKUFWHYUZYDXMO-QGZVFWFLSA-N 1 3 318.461 2.499 20 0 DEADHO CCOc1c(OC)cc(CN[C@H]2CCC[C@@H]2C[NH3+])cc1OC ZINC000414806021 404739751 /nfs/dbraw/zinc/73/97/51/404739751.db2.gz ZEYZIHFQXJUTSS-KGLIPLIRSA-N 1 3 308.422 2.320 20 0 DEADHO C[C@H](N)CC[NH2+][C@@H](C)CCCCN1C(=O)c2ccccc2C1=O ZINC000414822522 404741892 /nfs/dbraw/zinc/74/18/92/404741892.db2.gz MWROPIPTNNPGSM-KBPBESRZSA-N 1 3 317.433 2.168 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)NC[C@@H]2CCC[NH2+]C2)c1 ZINC000414823964 404743062 /nfs/dbraw/zinc/74/30/62/404743062.db2.gz FGRIAUYAVHWBQQ-UONOGXRCSA-N 1 3 305.422 2.002 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCNC2)c1 ZINC000414823964 404743065 /nfs/dbraw/zinc/74/30/65/404743065.db2.gz FGRIAUYAVHWBQQ-UONOGXRCSA-N 1 3 305.422 2.002 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@H]1CCCCN1CC ZINC000357816699 404744581 /nfs/dbraw/zinc/74/45/81/404744581.db2.gz ZLCHGKNLRSAORM-JKSUJKDBSA-N 1 3 312.502 2.280 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@H]1CCCCN1CC ZINC000357816699 404744584 /nfs/dbraw/zinc/74/45/84/404744584.db2.gz ZLCHGKNLRSAORM-JKSUJKDBSA-N 1 3 312.502 2.280 20 0 DEADHO CC(C)N1CCc2nc(CNCC[C@@H]3CCC[NH2+]C3)sc2C1 ZINC000414838869 404746153 /nfs/dbraw/zinc/74/61/53/404746153.db2.gz LSJSJZBAEAGJIG-AWEZNQCLSA-N 1 3 322.522 2.389 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000414853498 404749488 /nfs/dbraw/zinc/74/94/88/404749488.db2.gz KVBQVRARYNJGOG-SOUVJXGZSA-N 1 3 319.449 2.390 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000357970631 404749782 /nfs/dbraw/zinc/74/97/82/404749782.db2.gz GDAWAEMGSRTLSC-HOTGVXAUSA-N 1 3 312.502 2.135 20 0 DEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000357970631 404749785 /nfs/dbraw/zinc/74/97/85/404749785.db2.gz GDAWAEMGSRTLSC-HOTGVXAUSA-N 1 3 312.502 2.135 20 0 DEADHO C[C@@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)[C@H]1CCCNC1 ZINC000414858811 404750239 /nfs/dbraw/zinc/75/02/39/404750239.db2.gz SJFMQSQTTYOLOA-OLZOCXBDSA-N 1 3 307.404 2.381 20 0 DEADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NCC[C@H]2CCOC2)cc1 ZINC000414875930 404754844 /nfs/dbraw/zinc/75/48/44/404754844.db2.gz CPEWCWZXXWRMNM-JCGIZDLHSA-N 1 3 304.434 2.157 20 0 DEADHO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC2(C1)CC[NH2+]CC2 ZINC000358507592 404765338 /nfs/dbraw/zinc/76/53/38/404765338.db2.gz KYAWAWKFAJGXIU-PMPSAXMXSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@@H]1C[C@@H](CN2CCN(C(=O)CC3CCCCC3)CC2)CC[NH2+]1 ZINC000414754408 404724952 /nfs/dbraw/zinc/72/49/52/404724952.db2.gz XUGJVNFJQXTEBJ-AEFFLSMTSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)C[C@@H](C)N(C)C(=O)CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357084389 404727194 /nfs/dbraw/zinc/72/71/94/404727194.db2.gz QBPFWFGFZIULJY-NVXWUHKLSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]C2CCN(CCc3ccccc3)CC2)CCN1 ZINC000414957726 404776346 /nfs/dbraw/zinc/77/63/46/404776346.db2.gz WJTDXMYGZFIWQH-VQIMIIECSA-N 1 3 301.478 2.424 20 0 DEADHO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H](CN)c2ccc(F)cc2)C1 ZINC000358853886 404778280 /nfs/dbraw/zinc/77/82/80/404778280.db2.gz JEDGCEWXLQHOQP-PBHICJAKSA-N 1 3 321.440 2.058 20 0 DEADHO Cc1cccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1C ZINC000414989249 404781539 /nfs/dbraw/zinc/78/15/39/404781539.db2.gz QNFAFZPWMGERFJ-HNNXBMFYSA-N 1 3 315.383 2.229 20 0 DEADHO Cc1cccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1C ZINC000414989250 404781598 /nfs/dbraw/zinc/78/15/98/404781598.db2.gz QNFAFZPWMGERFJ-OAHLLOKOSA-N 1 3 315.383 2.229 20 0 DEADHO C[C@H](CCC[NH3+])NCc1cc2c(cc1OC(F)F)OCO2 ZINC000415026625 404790087 /nfs/dbraw/zinc/79/00/87/404790087.db2.gz UZZVCRCKMUEIFV-SECBINFHSA-N 1 3 302.321 2.234 20 0 DEADHO CCN1CCN(c2ccccc2CNCCC[NH2+]C2CC2)CC1 ZINC000415070280 404800720 /nfs/dbraw/zinc/80/07/20/404800720.db2.gz QMLCXDHUOAMBII-UHFFFAOYSA-N 1 3 316.493 2.060 20 0 DEADHO CCC[NH+]1CCC(N[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000376145541 404809214 /nfs/dbraw/zinc/80/92/14/404809214.db2.gz UJVUZUBRKYHWOU-QGZVFWFLSA-N 1 3 322.497 2.131 20 0 DEADHO COc1ccccc1CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415118122 404811456 /nfs/dbraw/zinc/81/14/56/404811456.db2.gz DPURQYOXLYGQTK-WMZOPIPTSA-N 1 3 304.434 2.414 20 0 DEADHO CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000353372932 404816485 /nfs/dbraw/zinc/81/64/85/404816485.db2.gz PRNMHHZMVZGMCG-INIZCTEOSA-N 1 3 322.497 2.131 20 0 DEADHO N[C@H]1CCC[C@@H]([NH2+]CCCC(=O)N2CCc3ccccc32)C1 ZINC000568248204 292325897 /nfs/dbraw/zinc/32/58/97/292325897.db2.gz KHJQOUOOVMOALO-JKSUJKDBSA-N 1 3 301.434 2.215 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000423829824 404877335 /nfs/dbraw/zinc/87/73/35/404877335.db2.gz AABUXZJTIHGWPR-PVAVHDDUSA-N 1 3 303.450 2.011 20 0 DEADHO C[NH+]1CCC(C)(CNC(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000434351823 404885785 /nfs/dbraw/zinc/88/57/85/404885785.db2.gz LNCOVWBANUORRL-MRXNPFEDSA-N 1 3 322.497 2.034 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000415585443 404889232 /nfs/dbraw/zinc/88/92/32/404889232.db2.gz XMWJDXMNCLZAAP-HIFRSBDPSA-N 1 3 304.438 2.040 20 0 DEADHO CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000353638794 404897352 /nfs/dbraw/zinc/89/73/52/404897352.db2.gz ORGQJJQNJLWPSN-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO CCCC[C@H](N)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000353502304 404849591 /nfs/dbraw/zinc/84/95/91/404849591.db2.gz PJBLOOLWGXQCPA-SFHVURJKSA-N 1 3 317.477 2.327 20 0 DEADHO C[C@@H](CCc1ccc(F)cc1F)[NH2+]CC1(O)CCN(C)CC1 ZINC000353537166 404859841 /nfs/dbraw/zinc/85/98/41/404859841.db2.gz ZPGJHXYYYHWJDM-ZDUSSCGKSA-N 1 3 312.404 2.332 20 0 DEADHO CC(C)[C@@H]([NH3+])CNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000416781048 404907501 /nfs/dbraw/zinc/90/75/01/404907501.db2.gz DIXJFQRLXUYUQK-DLBZAZTESA-N 1 3 318.465 2.106 20 0 DEADHO CCC[C@@H]([NH3+])C(=O)N[C@@H](CN1CCCC1)c1ccc(OC)cc1 ZINC000423886179 404911632 /nfs/dbraw/zinc/91/16/32/404911632.db2.gz FBXDDZRYXZPAEG-SJORKVTESA-N 1 3 319.449 2.076 20 0 DEADHO C[NH2+]Cc1cccc(NC(=O)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000415914445 404969799 /nfs/dbraw/zinc/96/97/99/404969799.db2.gz AOAUJHQBCFVTNE-KRWDZBQOSA-N 1 3 316.449 2.498 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N(C)C1CC([NH3+])C1)c1ccccc1 ZINC000416836915 404929245 /nfs/dbraw/zinc/92/92/45/404929245.db2.gz GZTJAAHEPXRNQE-JCYILVPMSA-N 1 3 318.465 2.201 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000423938604 404936554 /nfs/dbraw/zinc/93/65/54/404936554.db2.gz JPDDKZOSTWBXKS-SFHVURJKSA-N 1 3 317.477 2.485 20 0 DEADHO C[C@@H]1CN(C(=O)NCCC[N@H+](C)C2CCCCC2)[C@@H](C)CN1 ZINC000417023217 405005718 /nfs/dbraw/zinc/00/57/18/405005718.db2.gz LQOAYYZLOOGKRT-CABCVRRESA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1CN(C(=O)NCCC[N@@H+](C)C2CCCCC2)[C@@H](C)CN1 ZINC000417023217 405005723 /nfs/dbraw/zinc/00/57/23/405005723.db2.gz LQOAYYZLOOGKRT-CABCVRRESA-N 1 3 310.486 2.033 20 0 DEADHO CCC[NH+]1CCC(NC(=O)[C@@H](C(C)C)N2CCCCC2)CC1 ZINC000354063155 405025537 /nfs/dbraw/zinc/02/55/37/405025537.db2.gz HACCGAPHJUTQID-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000417074755 405026765 /nfs/dbraw/zinc/02/67/65/405026765.db2.gz UOYQBYOSNCOFER-YOEHRIQHSA-N 1 3 318.465 2.017 20 0 DEADHO C[C@H](C[C@@H]1COCCN1)[NH2+]CC[C@H](C)N(C)Cc1ccccc1 ZINC000379651147 405027374 /nfs/dbraw/zinc/02/73/74/405027374.db2.gz UEXGFAVIAUKNEF-ZIFCJYIRSA-N 1 3 319.493 2.254 20 0 DEADHO C[C@@H]([NH3+])C1CCN(C(=O)NCc2cccc(CN(C)C)c2)CC1 ZINC000417075551 405028460 /nfs/dbraw/zinc/02/84/60/405028460.db2.gz VEZCHEZJOLAXKH-CQSZACIVSA-N 1 3 318.465 2.017 20 0 DEADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000382716054 405032178 /nfs/dbraw/zinc/03/21/78/405032178.db2.gz DQUWPJKRHKOGBK-BQFCYCMXSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000424039188 404979842 /nfs/dbraw/zinc/97/98/42/404979842.db2.gz JONKPIZLDDZMJP-JKIFEVAISA-N 1 3 307.482 2.096 20 0 DEADHO CNCc1cccc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000415947206 404980321 /nfs/dbraw/zinc/98/03/21/404980321.db2.gz VYFSTOAFTQYZTG-MRXNPFEDSA-N 1 3 316.449 2.356 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000424047865 404983757 /nfs/dbraw/zinc/98/37/57/404983757.db2.gz WDJIKXVGYLNBMX-MGMWPHTOSA-N 1 3 319.493 2.131 20 0 DEADHO C[C@@H]1[C@H](NC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CCCN1C ZINC000415977659 404992364 /nfs/dbraw/zinc/99/23/64/404992364.db2.gz SWDARRHNPNHVCN-BXUZGUMPSA-N 1 3 320.412 2.076 20 0 DEADHO C[C@@H]1C[C@@H](C)N(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C[NH3+] ZINC000424080201 404998379 /nfs/dbraw/zinc/99/83/79/404998379.db2.gz VIRWFHPOOOMGBH-CKEIUWERSA-N 1 3 303.450 2.194 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H](C[NH3+])C1)c1ccsc1 ZINC000417010977 405000446 /nfs/dbraw/zinc/00/04/46/405000446.db2.gz QWAPRHAOOMKFFC-UKRRQHHQSA-N 1 3 324.494 2.121 20 0 DEADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2cccc3c[nH]nc32)C1 ZINC000354098533 405042453 /nfs/dbraw/zinc/04/24/53/405042453.db2.gz XYOIPWPFMBLOQZ-KRWDZBQOSA-N 1 3 316.449 2.496 20 0 DEADHO CC(C)CN(C(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)C1CC1 ZINC000424291386 405060168 /nfs/dbraw/zinc/06/01/68/405060168.db2.gz NTBABLSPLPNDPA-HNNXBMFYSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N2CCNC(C)(C)C2)C1 ZINC000417222596 405067030 /nfs/dbraw/zinc/06/70/30/405067030.db2.gz QKAXYUWMMXJWGJ-GJZGRUSLSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCCN(C)Cc1ccccc1 ZINC000417229996 405069342 /nfs/dbraw/zinc/06/93/42/405069342.db2.gz JIDKIYIYVSBCBF-KRWDZBQOSA-N 1 3 320.481 2.133 20 0 DEADHO COc1cc(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)cc2c1OCO2 ZINC000424384300 405079397 /nfs/dbraw/zinc/07/93/97/405079397.db2.gz VHKPAPLDOJQCBK-ZDUSSCGKSA-N 1 3 318.417 2.388 20 0 DEADHO Cc1nn2c(CN3CC4(C[C@@H]3C)CC[NH2+]CC4)c(C)nc2s1 ZINC000424382764 405079621 /nfs/dbraw/zinc/07/96/21/405079621.db2.gz SMISDCNNTMJQNR-NSHDSACASA-N 1 3 319.478 2.372 20 0 DEADHO Cc1cc(CN)cc(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000424426105 405091592 /nfs/dbraw/zinc/09/15/92/405091592.db2.gz LIXNTHKOZDFTEB-INIZCTEOSA-N 1 3 304.438 2.402 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418238958 405118580 /nfs/dbraw/zinc/11/85/80/405118580.db2.gz PTRGXYLKQYGRTI-IKGGRYGDSA-N 1 3 322.497 2.033 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[C@](C)(C[NH3+])C2)cc1 ZINC000418356312 405123618 /nfs/dbraw/zinc/12/36/18/405123618.db2.gz PXCIMBIKAUPPDC-FUHWJXTLSA-N 1 3 318.465 2.190 20 0 DEADHO C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000418356411 405124143 /nfs/dbraw/zinc/12/41/43/405124143.db2.gz PYLRAUWDSXNRQK-DLBZAZTESA-N 1 3 318.465 2.203 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418623289 405141683 /nfs/dbraw/zinc/14/16/83/405141683.db2.gz NWGWOGJKIDLTDN-QGZVFWFLSA-N 1 3 324.513 2.411 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000418704020 405174099 /nfs/dbraw/zinc/17/40/99/405174099.db2.gz MMGIQAFSTAUJJP-OAHLLOKOSA-N 1 3 312.502 2.267 20 0 DEADHO O=C(NCCC[NH2+]C1CCCCC1)C1CCN(C2CC2)CC1 ZINC000419887689 405270800 /nfs/dbraw/zinc/27/08/00/405270800.db2.gz DRFJXRGXLZVQBC-UHFFFAOYSA-N 1 3 307.482 2.289 20 0 DEADHO CC[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccsc1 ZINC000453089682 405282901 /nfs/dbraw/zinc/28/29/01/405282901.db2.gz BLHRSRUYVKCMEZ-UKRRQHHQSA-N 1 3 309.479 2.376 20 0 DEADHO C[C@@H](NCCc1ccc(OCC[NH+](C)C)cc1)c1ccncn1 ZINC000453099410 405283810 /nfs/dbraw/zinc/28/38/10/405283810.db2.gz KZEBQQBGRVBLDS-OAHLLOKOSA-N 1 3 314.433 2.310 20 0 DEADHO OC1CCN(Cc2ccccc2C[NH2+]CC[C@H]2CCOC2)CC1 ZINC000438172149 405235858 /nfs/dbraw/zinc/23/58/58/405235858.db2.gz ANNUFFMXYYWYSB-INIZCTEOSA-N 1 3 318.461 2.160 20 0 DEADHO CN(CC[C@H]1CC[NH2+]C1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000420305540 405312317 /nfs/dbraw/zinc/31/23/17/405312317.db2.gz PNRTVRKAAMISNZ-CZUORRHYSA-N 1 3 321.852 2.377 20 0 DEADHO COc1cc(F)ccc1N1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420309145 405313609 /nfs/dbraw/zinc/31/36/09/405313609.db2.gz DMNTUUGGVSHSMY-HNNXBMFYSA-N 1 3 321.440 2.346 20 0 DEADHO C[C@@H](CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1)[NH+](C)C ZINC000454235762 405314995 /nfs/dbraw/zinc/31/49/95/405314995.db2.gz HDVQKTKUORQKGM-RDJZCZTQSA-N 1 3 318.465 2.073 20 0 DEADHO COC(=O)c1ccc(F)c(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420321105 405318427 /nfs/dbraw/zinc/31/84/27/405318427.db2.gz CHSLWYDHFVAYFZ-CABCVRRESA-N 1 3 320.408 2.434 20 0 DEADHO Cc1cccc(OCCN2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420321615 405318922 /nfs/dbraw/zinc/31/89/22/405318922.db2.gz DAZKAWUUBUUTOD-INIZCTEOSA-N 1 3 304.434 2.061 20 0 DEADHO CCc1cnc(N2CCN(CC[C@H]3CCC[NH2+]C3)CC2)s1 ZINC000420327764 405320514 /nfs/dbraw/zinc/32/05/14/405320514.db2.gz ZCPFSZWPNZGBEN-CQSZACIVSA-N 1 3 308.495 2.217 20 0 DEADHO COC(=O)c1ccc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000420332640 405322591 /nfs/dbraw/zinc/32/25/91/405322591.db2.gz SBXFKQAPQXOGOE-CHWSQXEVSA-N 1 3 308.447 2.356 20 0 DEADHO CN(C(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)C1CCCCC1 ZINC000420341443 405325594 /nfs/dbraw/zinc/32/55/94/405325594.db2.gz OMILWLBPJKZXSH-HZPDHXFCSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@H](C)N(C)C ZINC000454306060 405325673 /nfs/dbraw/zinc/32/56/73/405325673.db2.gz HFRXQKNDFWUUDY-HNNXBMFYSA-N 1 3 320.481 2.276 20 0 DEADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H](C)N(C)C ZINC000454306060 405325677 /nfs/dbraw/zinc/32/56/77/405325677.db2.gz HFRXQKNDFWUUDY-HNNXBMFYSA-N 1 3 320.481 2.276 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)[NH+]1CCCCC1 ZINC000440924794 405331063 /nfs/dbraw/zinc/33/10/63/405331063.db2.gz JZPKFPXVVIFEIT-YQQAZPJKSA-N 1 3 307.482 2.238 20 0 DEADHO [NH3+][C@H]1CCO[C@H](C2CCN(CCOc3ccccc3)CC2)C1 ZINC000420393755 405342436 /nfs/dbraw/zinc/34/24/36/405342436.db2.gz QYKRAMXHDGOGKN-WMZOPIPTSA-N 1 3 304.434 2.284 20 0 DEADHO CC(C)[C@@H]([NH3+])CCN(C)CCC(=O)N1CCc2sccc2C1 ZINC000430565094 405458205 /nfs/dbraw/zinc/45/82/05/405458205.db2.gz OJHWKEDTYULSSQ-HNNXBMFYSA-N 1 3 323.506 2.328 20 0 DEADHO C[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)N(C)C ZINC000455931001 405462183 /nfs/dbraw/zinc/46/21/83/405462183.db2.gz PBMXVDHIKHTKKC-MLGOLLRUSA-N 1 3 304.438 2.307 20 0 DEADHO [NH3+]C[C@@H]1CCCN(CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000430624521 405468912 /nfs/dbraw/zinc/46/89/12/405468912.db2.gz IYAGDMOBOCQHOP-YJBOKZPZSA-N 1 3 315.461 2.241 20 0 DEADHO C[C@@H](C(=O)NCc1ccccc1Cl)N1CCC(C[NH3+])CC1 ZINC000430642868 405477217 /nfs/dbraw/zinc/47/72/17/405477217.db2.gz PNSUYTNPFMWJQS-LBPRGKRZSA-N 1 3 309.841 2.015 20 0 DEADHO CN1CCC[C@H](CNC(=O)CC[NH2+]C2CC2)[C@@H]1c1cccs1 ZINC000577625685 405483434 /nfs/dbraw/zinc/48/34/34/405483434.db2.gz PLRWHJLNFSWCRG-CXAGYDPISA-N 1 3 321.490 2.389 20 0 DEADHO CN1CCC[C@H](CNC(=O)C(C)(C)C[NH3+])[C@H]1c1cccs1 ZINC000430811484 405511241 /nfs/dbraw/zinc/51/12/41/405511241.db2.gz PLOQNSBYFBIJOS-OCCSQVGLSA-N 1 3 309.479 2.232 20 0 DEADHO C[C@H](CC(=O)NCCN1[C@H](C)CCC[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000430889888 405520787 /nfs/dbraw/zinc/52/07/87/405520787.db2.gz PSYTWJJIVBZOSR-WCXIOVBPSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)N1CC[C@@H](N(C)C(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000458661820 405528618 /nfs/dbraw/zinc/52/86/18/405528618.db2.gz PFMZZYOLFHCCKD-MRXNPFEDSA-N 1 3 324.513 2.233 20 0 DEADHO [NH3+]C[C@@H]1CCN(CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000430929300 405533564 /nfs/dbraw/zinc/53/35/64/405533564.db2.gz ORUAFVVRKNPZIA-NSHDSACASA-N 1 3 315.339 2.315 20 0 DEADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)COc2cccc(CC)c2)C1 ZINC000577947835 405541630 /nfs/dbraw/zinc/54/16/30/405541630.db2.gz DIXPPQUSSUIXAK-MSOLQXFVSA-N 1 3 320.477 2.310 20 0 DEADHO [NH3+][C@@H]1CCCCC[C@@H]1NCc1ccccc1CN1CCOCC1 ZINC000568617194 292353949 /nfs/dbraw/zinc/35/39/49/292353949.db2.gz UYDJKVLZUDUYMJ-MOPGFXCFSA-N 1 3 317.477 2.268 20 0 DEADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000568617194 292353950 /nfs/dbraw/zinc/35/39/50/292353950.db2.gz UYDJKVLZUDUYMJ-MOPGFXCFSA-N 1 3 317.477 2.268 20 0 DEADHO [NH3+][C@H]1CCCCC[C@H]1NCc1ccccc1CN1CCOCC1 ZINC000568617196 292354457 /nfs/dbraw/zinc/35/44/57/292354457.db2.gz UYDJKVLZUDUYMJ-RBUKOAKNSA-N 1 3 317.477 2.268 20 0 DEADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000568617196 292354459 /nfs/dbraw/zinc/35/44/59/292354459.db2.gz UYDJKVLZUDUYMJ-RBUKOAKNSA-N 1 3 317.477 2.268 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000449574191 405622454 /nfs/dbraw/zinc/62/24/54/405622454.db2.gz VXGKZKAPFUJEQR-GDBMZVCRSA-N 1 3 321.440 2.281 20 0 DEADHO CCCN(CCC(=O)Nc1cccc(OC)c1)C1CC[NH2+]CC1 ZINC000431074469 405572652 /nfs/dbraw/zinc/57/26/52/405572652.db2.gz USCHQDBCHPSEOP-UHFFFAOYSA-N 1 3 319.449 2.488 20 0 DEADHO C[C@@H](NC(=O)NC(C)(C)C[NH+](C)C)[C@H](c1ccccc1)N(C)C ZINC000458773727 405582840 /nfs/dbraw/zinc/58/28/40/405582840.db2.gz OBWLDOFXRCFHQX-GDBMZVCRSA-N 1 3 320.481 2.317 20 0 DEADHO C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000638735579 405639964 /nfs/dbraw/zinc/63/99/64/405639964.db2.gz PLZBSRWFPXGMPT-GOEBONIOSA-N 1 3 307.482 2.430 20 0 DEADHO CC[C@H](C)[C@H](CNC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)OC ZINC000638747154 405647126 /nfs/dbraw/zinc/64/71/26/405647126.db2.gz BCNMZQZOZCQNFY-OWLYRPNTSA-N 1 3 312.498 2.405 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NCCN(C)C1CC1 ZINC000431692565 405663028 /nfs/dbraw/zinc/66/30/28/405663028.db2.gz PNGJEYCJYSJICJ-DOTOQJQBSA-N 1 3 324.513 2.280 20 0 DEADHO CCCOCc1ccccc1CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000422688139 405675667 /nfs/dbraw/zinc/67/56/67/405675667.db2.gz CQRSCMUGELSWFF-ZTFGCOKTSA-N 1 3 306.450 2.455 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C2CCN(C3CC3)CC2)C1 ZINC000494315667 405676138 /nfs/dbraw/zinc/67/61/38/405676138.db2.gz UDZVLVQGUALJLW-IYBDPMFKSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2CCN(C3CC3)CC2)C1 ZINC000494315667 405676146 /nfs/dbraw/zinc/67/61/46/405676146.db2.gz UDZVLVQGUALJLW-IYBDPMFKSA-N 1 3 321.509 2.345 20 0 DEADHO Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2CN)N2CCOCC2)cc1 ZINC000422706607 405676960 /nfs/dbraw/zinc/67/69/60/405676960.db2.gz FMZQVDVQMCTCKC-OTWHNJEPSA-N 1 3 317.477 2.085 20 0 DEADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C[C@H](c2ccccc2)N(C)C)C1 ZINC000431856924 405686634 /nfs/dbraw/zinc/68/66/34/405686634.db2.gz WVOMVIHVDUHAJO-SJLPKXTDSA-N 1 3 317.477 2.480 20 0 DEADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@H](c2ccccc2)N(C)C)C1 ZINC000431856924 405686644 /nfs/dbraw/zinc/68/66/44/405686644.db2.gz WVOMVIHVDUHAJO-SJLPKXTDSA-N 1 3 317.477 2.480 20 0 DEADHO C[C@H](c1ccncc1)N1CCC([NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000422971458 405693863 /nfs/dbraw/zinc/69/38/63/405693863.db2.gz YGKNXCNXBLRALR-QGPMSJSTSA-N 1 3 302.466 2.324 20 0 DEADHO COc1ccc(C[C@H](C)CN[C@@H]2C[NH2+]CC[C@H]2C)cc1OC ZINC000423027937 405695604 /nfs/dbraw/zinc/69/56/04/405695604.db2.gz RYPXZXCXLGWYBR-SQWLQELKSA-N 1 3 306.450 2.470 20 0 DEADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000459045734 405712748 /nfs/dbraw/zinc/71/27/48/405712748.db2.gz UJHWWICKJOMLSO-INIZCTEOSA-N 1 3 320.481 2.018 20 0 DEADHO CCN(C)C(=O)[C@@H](N[C@@H](C)c1ccc(C[NH3+])nc1C)C(C)C ZINC000423151820 405703795 /nfs/dbraw/zinc/70/37/95/405703795.db2.gz CXGFEDKPAQEWSD-BBRMVZONSA-N 1 3 306.454 2.002 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000457106636 405704546 /nfs/dbraw/zinc/70/45/46/405704546.db2.gz DIFCSAMVIHTLSS-KRWDZBQOSA-N 1 3 303.450 2.303 20 0 DEADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000457106636 405704556 /nfs/dbraw/zinc/70/45/56/405704556.db2.gz DIFCSAMVIHTLSS-KRWDZBQOSA-N 1 3 303.450 2.303 20 0 DEADHO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000449716857 405708724 /nfs/dbraw/zinc/70/87/24/405708724.db2.gz DCMZVPLWDYLQRT-JCHJZTRSSA-N 1 3 318.461 2.291 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000423196494 405719781 /nfs/dbraw/zinc/71/97/81/405719781.db2.gz ZVMYYWNIGDHVEC-IUODEOHRSA-N 1 3 317.408 2.415 20 0 DEADHO CCOc1ccc(Cl)cc1[C@H](C)NCCN1CC[NH2+]CC1 ZINC000423205364 405722971 /nfs/dbraw/zinc/72/29/71/405722971.db2.gz PINVZHZWTGXAQW-ZDUSSCGKSA-N 1 3 311.857 2.295 20 0 DEADHO CC(C)(CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)S(C)(=O)=O ZINC000423188842 405715191 /nfs/dbraw/zinc/71/51/91/405715191.db2.gz QPLCRYKOMBCBRS-SOUVJXGZSA-N 1 3 316.511 2.100 20 0 DEADHO C[C@H](NCCN1CC[NH2+]CC1)c1cc(Br)cs1 ZINC000423200165 405718589 /nfs/dbraw/zinc/71/85/89/405718589.db2.gz DQCWOJRSWLTPAV-JTQLQIEISA-N 1 3 318.284 2.066 20 0 DEADHO C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1ccc(S(C)(=O)=O)cc1 ZINC000423266243 405742366 /nfs/dbraw/zinc/74/23/66/405742366.db2.gz DHGOMZDWLLQVDO-NOLJZWGESA-N 1 3 310.463 2.258 20 0 DEADHO CC(C)N1CC[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000583450089 405743995 /nfs/dbraw/zinc/74/39/95/405743995.db2.gz FITJZHGOWGHZLB-SFHVURJKSA-N 1 3 317.477 2.345 20 0 DEADHO Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H](N)C(C)C)cc1 ZINC000423277117 405746071 /nfs/dbraw/zinc/74/60/71/405746071.db2.gz PGCFGXGXLFGBOF-IAGOWNOFSA-N 1 3 301.438 2.291 20 0 DEADHO C[C@H](C[NH3+])CN[C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000423297189 405751494 /nfs/dbraw/zinc/75/14/94/405751494.db2.gz JBZWPXAUJLSSND-ZIAGYGMSSA-N 1 3 302.422 2.245 20 0 DEADHO CN1CCO[C@H]([C@@H](NCCCC[NH3+])c2ccc(Cl)cc2)C1 ZINC000423318820 405757731 /nfs/dbraw/zinc/75/77/31/405757731.db2.gz DTWNKEFSSXDEPI-HOTGVXAUSA-N 1 3 311.857 2.040 20 0 DEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423354974 405775341 /nfs/dbraw/zinc/77/53/41/405775341.db2.gz DKMWHNYGIRCMHT-NUJGCVRESA-N 1 3 302.466 2.024 20 0 DEADHO C[C@@H](N[C@@H]1CC[NH2+][C@H](C)C1)c1ccc(OCCN(C)C)cc1 ZINC000423374800 405782138 /nfs/dbraw/zinc/78/21/38/405782138.db2.gz KAZBVBDQRYESQW-BFYDXBDKSA-N 1 3 305.466 2.418 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H]2CSCCN2Cc2ccccc2)C1 ZINC000568781924 292367471 /nfs/dbraw/zinc/36/74/71/292367471.db2.gz AOWIIVWAZPTXRI-KURKYZTESA-N 1 3 319.518 2.464 20 0 DEADHO CN[C@H](CC(C)(C)C)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000638978184 405793053 /nfs/dbraw/zinc/79/30/53/405793053.db2.gz XIFTXMGRUFIPFN-OAHLLOKOSA-N 1 3 321.469 2.113 20 0 DEADHO CCN1C[C@H](C)[C@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000423478559 405819634 /nfs/dbraw/zinc/81/96/34/405819634.db2.gz TXJMPCUHDTVJFP-IAAVTCLWSA-N 1 3 319.468 2.449 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[N@H+](C)CCc1cccs1 ZINC001422914584 1172927002 /nfs/dbraw/zinc/92/70/02/1172927002.db2.gz FONVDALUIKFQBN-CQSZACIVSA-N 1 3 311.495 2.067 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[N@@H+](C)CCc1cccs1 ZINC001422914584 1172927018 /nfs/dbraw/zinc/92/70/18/1172927018.db2.gz FONVDALUIKFQBN-CQSZACIVSA-N 1 3 311.495 2.067 20 0 DEADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H](N)C1CCC1 ZINC000423339234 405767272 /nfs/dbraw/zinc/76/72/72/405767272.db2.gz SESMXCCVKKUPDI-QGZVFWFLSA-N 1 3 303.450 2.270 20 0 DEADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](N)C1CCC1 ZINC000423339234 405767278 /nfs/dbraw/zinc/76/72/78/405767278.db2.gz SESMXCCVKKUPDI-QGZVFWFLSA-N 1 3 303.450 2.270 20 0 DEADHO C[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423339851 405767652 /nfs/dbraw/zinc/76/76/52/405767652.db2.gz ZSNLBYBOKFGUPX-MEDUHNTESA-N 1 3 302.422 2.358 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H](N)c1ccccc1 ZINC000423348140 405770656 /nfs/dbraw/zinc/77/06/56/405770656.db2.gz SSEYHXUHYQGZKM-YOEHRIQHSA-N 1 3 315.461 2.313 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@H](N)c1ccccc1 ZINC000423348140 405770666 /nfs/dbraw/zinc/77/06/66/405770666.db2.gz SSEYHXUHYQGZKM-YOEHRIQHSA-N 1 3 315.461 2.313 20 0 DEADHO CC(C)[C@@H](C[NH3+])C(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000433127505 405873890 /nfs/dbraw/zinc/87/38/90/405873890.db2.gz IDVDWTVOTZRDGI-OAHLLOKOSA-N 1 3 318.465 2.362 20 0 DEADHO CCc1cc(N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc[nH+]1 ZINC000450406980 405882064 /nfs/dbraw/zinc/88/20/64/405882064.db2.gz HGWXUAKQMLDTLE-YJBOKZPZSA-N 1 3 302.466 2.106 20 0 DEADHO CC[C@H](CNC(=O)[C@H](C[NH3+])C(C)C)N1CCc2ccccc2C1 ZINC000433157541 405882556 /nfs/dbraw/zinc/88/25/56/405882556.db2.gz GMVUYDVQILAJKL-QZTJIDSGSA-N 1 3 317.477 2.170 20 0 DEADHO CCc1cc(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)cc[nH+]1 ZINC000450410928 405883898 /nfs/dbraw/zinc/88/38/98/405883898.db2.gz NOMDPSBKPUDARG-RBUKOAKNSA-N 1 3 311.429 2.113 20 0 DEADHO CCc1cc(NCc2ccnc(OCCN(C)C)c2)cc[nH+]1 ZINC000450414573 405886245 /nfs/dbraw/zinc/88/62/45/405886245.db2.gz XXYZSTDSUYSWOI-UHFFFAOYSA-N 1 3 300.406 2.013 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000423506744 405831827 /nfs/dbraw/zinc/83/18/27/405831827.db2.gz MGYOMOUCJZRIJV-GOEBONIOSA-N 1 3 316.449 2.134 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000633800606 405846827 /nfs/dbraw/zinc/84/68/27/405846827.db2.gz UTLJGHILVXVVPC-FUHWJXTLSA-N 1 3 317.477 2.213 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000633800606 405846833 /nfs/dbraw/zinc/84/68/33/405846833.db2.gz UTLJGHILVXVVPC-FUHWJXTLSA-N 1 3 317.477 2.213 20 0 DEADHO Cn1cc([C@H](N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccccc2)cn1 ZINC000423537561 405847692 /nfs/dbraw/zinc/84/76/92/405847692.db2.gz DCEBEWSLFWNVNF-RNIPGJKVSA-N 1 3 310.445 2.487 20 0 DEADHO C[C@H](CC(=O)N1CCN(C2CCCCC2)CC1)C1CC[NH2+]CC1 ZINC000423713241 405925029 /nfs/dbraw/zinc/92/50/29/405925029.db2.gz PXFYKKBMIOSWPY-MRXNPFEDSA-N 1 3 321.509 2.489 20 0 DEADHO C[NH+](C)Cc1ccc(CNC(=O)C[C@@H](N)c2ccccc2)cc1 ZINC000423736604 405936698 /nfs/dbraw/zinc/93/66/98/405936698.db2.gz SPAYBRSIOIFRSZ-GOSISDBHSA-N 1 3 311.429 2.455 20 0 DEADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C1(N)CCCC1 ZINC000423742030 405940314 /nfs/dbraw/zinc/94/03/14/405940314.db2.gz KWJXHKRJGNIKSM-UHFFFAOYSA-N 1 3 303.450 2.368 20 0 DEADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000531400433 405954362 /nfs/dbraw/zinc/95/43/62/405954362.db2.gz BEYKPOSGMASDIX-HOTGVXAUSA-N 1 3 324.513 2.375 20 0 DEADHO CN(C)C[C@@H](NC(=O)[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423779220 405962054 /nfs/dbraw/zinc/96/20/54/405962054.db2.gz UYHSMNCAXCAOBH-DZGCQCFKSA-N 1 3 309.841 2.059 20 0 DEADHO Cn1c(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc2ccccc21 ZINC000639135595 405912196 /nfs/dbraw/zinc/91/21/96/405912196.db2.gz FIFLIXZFNHNYMV-UHFFFAOYSA-N 1 3 314.477 2.294 20 0 DEADHO CN(C)CCNC(=O)c1ccc(C[NH2+]C2CC(C)(C)C2)cc1 ZINC000433285401 405912546 /nfs/dbraw/zinc/91/25/46/405912546.db2.gz SIPYWKGTCZCQBS-UHFFFAOYSA-N 1 3 303.450 2.256 20 0 DEADHO CCN1CC[C@H]([NH2+]Cc2cnn(CC(F)(F)F)c2)[C@@H](C)C1 ZINC000531988921 406032262 /nfs/dbraw/zinc/03/22/62/406032262.db2.gz WMIZPDVNINIBKT-AAEUAGOBSA-N 1 3 304.360 2.265 20 0 DEADHO CC1CCC(O)(CNC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000568858017 292372267 /nfs/dbraw/zinc/37/22/67/292372267.db2.gz YTZLYXRUQRLKEP-UPTPFMHGSA-N 1 3 310.482 2.018 20 0 DEADHO CCc1cc(NC[C@@H]2CCC[N@@H+]2CCCO)c2ccccc2n1 ZINC000450600860 405973870 /nfs/dbraw/zinc/97/38/70/405973870.db2.gz WSXPNYCIFZGHSA-INIZCTEOSA-N 1 3 313.445 2.478 20 0 DEADHO CCc1cc(NC[C@@H]2CCC[N@H+]2CCCO)c2ccccc2n1 ZINC000450600860 405973876 /nfs/dbraw/zinc/97/38/76/405973876.db2.gz WSXPNYCIFZGHSA-INIZCTEOSA-N 1 3 313.445 2.478 20 0 DEADHO Cc1ncc2c(n1)CC[C@@H](NC1CC[NH+](CC3CC3)CC1)C2 ZINC000531690969 405993811 /nfs/dbraw/zinc/99/38/11/405993811.db2.gz PCXLWOMDBWEPEU-QGZVFWFLSA-N 1 3 300.450 2.106 20 0 DEADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000531733716 405999404 /nfs/dbraw/zinc/99/94/04/405999404.db2.gz MFIZCGAZIHSOPL-NTZNESFSSA-N 1 3 304.360 2.264 20 0 DEADHO O[C@H]1CCC[C@H]1[NH+]1CCC(NCc2ccc3[nH]cnc3c2)CC1 ZINC000531759834 406002599 /nfs/dbraw/zinc/00/25/99/406002599.db2.gz STWVBRHIYBUTSI-MSOLQXFVSA-N 1 3 314.433 2.030 20 0 DEADHO O[C@H]1CCC[C@H]1[NH+]1CCC(NCc2ccc3nc[nH]c3c2)CC1 ZINC000531759834 406002603 /nfs/dbraw/zinc/00/26/03/406002603.db2.gz STWVBRHIYBUTSI-MSOLQXFVSA-N 1 3 314.433 2.030 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000462719868 406086518 /nfs/dbraw/zinc/08/65/18/406086518.db2.gz ONPABSDVEQDYBG-ZACQAIPSSA-N 1 3 324.513 2.233 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000462719868 406086521 /nfs/dbraw/zinc/08/65/21/406086521.db2.gz ONPABSDVEQDYBG-ZACQAIPSSA-N 1 3 324.513 2.233 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+][C@H]2CC[C@@H](OC)C2)CC1 ZINC000471807526 406120330 /nfs/dbraw/zinc/12/03/30/406120330.db2.gz CBHDUVJHFSUOBQ-ZWKOTPCHSA-N 1 3 317.477 2.486 20 0 DEADHO COc1ccccc1C1(CNC[C@@H](O)C[N@H+](C)C2CC2)CCC1 ZINC000567710887 406124235 /nfs/dbraw/zinc/12/42/35/406124235.db2.gz UWADODUGLZOBCX-MRXNPFEDSA-N 1 3 318.461 2.162 20 0 DEADHO COc1ccccc1C1(CNC[C@@H](O)C[N@@H+](C)C2CC2)CCC1 ZINC000567710887 406124237 /nfs/dbraw/zinc/12/42/37/406124237.db2.gz UWADODUGLZOBCX-MRXNPFEDSA-N 1 3 318.461 2.162 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000533512951 406148304 /nfs/dbraw/zinc/14/83/04/406148304.db2.gz CEJPGHMUIRMBKP-RDJZCZTQSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000533512951 406148309 /nfs/dbraw/zinc/14/83/09/406148309.db2.gz CEJPGHMUIRMBKP-RDJZCZTQSA-N 1 3 307.482 2.240 20 0 DEADHO FC(F)(F)c1ccn(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000634686662 406225563 /nfs/dbraw/zinc/22/55/63/406225563.db2.gz PJAVXTKPJFSSDQ-NEPJUHHUSA-N 1 3 302.344 2.118 20 0 DEADHO FC(F)(F)c1ccn(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000634686662 406225565 /nfs/dbraw/zinc/22/55/65/406225565.db2.gz PJAVXTKPJFSSDQ-NEPJUHHUSA-N 1 3 302.344 2.118 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@H]1NCCc1nc(-c2ccncc2)cs1 ZINC000519767372 406250662 /nfs/dbraw/zinc/25/06/62/406250662.db2.gz VVNUGUOXJGJSNR-UONOGXRCSA-N 1 3 302.447 2.465 20 0 DEADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000519767372 406250663 /nfs/dbraw/zinc/25/06/63/406250663.db2.gz VVNUGUOXJGJSNR-UONOGXRCSA-N 1 3 302.447 2.465 20 0 DEADHO CC[NH+](CC)CCCNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000487537891 406243214 /nfs/dbraw/zinc/24/32/14/406243214.db2.gz LFRVTJICOTVYDZ-IXDOHACOSA-N 1 3 324.513 2.090 20 0 DEADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)[C@H]2CC[NH2+]2)cc1 ZINC000520224531 406276849 /nfs/dbraw/zinc/27/68/49/406276849.db2.gz JWJGPVSISYCEBX-LJQANCHMSA-N 1 3 323.440 2.393 20 0 DEADHO CC(C)[NH2+]CCCNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000637485725 406325706 /nfs/dbraw/zinc/32/57/06/406325706.db2.gz ATCLMDJNHJCBFL-MRXNPFEDSA-N 1 3 324.444 2.116 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)NCCC[NH2+]C(C)C)N(C)C)cc1 ZINC000570029535 406336268 /nfs/dbraw/zinc/33/62/68/406336268.db2.gz DDBDCFUBMXNHOH-QGZVFWFLSA-N 1 3 320.481 2.285 20 0 DEADHO COc1cc2nccc(N[C@@H]3CCC[NH2+]CC3)c2cc1OC ZINC000634813210 406297067 /nfs/dbraw/zinc/29/70/67/406297067.db2.gz BXKCQYXRNWZBHZ-GFCCVEGCSA-N 1 3 301.390 2.228 20 0 DEADHO N[C@H]1CCC[C@@H]([NH2+]CCCCn2cc(Br)cn2)C1 ZINC000570410948 406390038 /nfs/dbraw/zinc/39/00/38/406390038.db2.gz RULZZTBNAWPALH-QWHCGFSZSA-N 1 3 315.259 2.285 20 0 DEADHO [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H](c2nnc[n-]2)c2ccc(F)cc2)CC1 ZINC000635005909 406397179 /nfs/dbraw/zinc/39/71/79/406397179.db2.gz QFWZQOLJGMTWOZ-KCPJHIHWSA-N 1 3 303.385 2.140 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)N1CCCC[C@H]1C ZINC000489789096 406430891 /nfs/dbraw/zinc/43/08/91/406430891.db2.gz IXUURHIGWJYCPP-QBPKDAKJSA-N 1 3 324.513 2.421 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000524877848 406465000 /nfs/dbraw/zinc/46/50/00/406465000.db2.gz REMAICUZIKDIJV-WMZOPIPTSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000524877848 406465003 /nfs/dbraw/zinc/46/50/03/406465003.db2.gz REMAICUZIKDIJV-WMZOPIPTSA-N 1 3 315.461 2.061 20 0 DEADHO CC[NH2+][C@H](C)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000638098329 406568492 /nfs/dbraw/zinc/56/84/92/406568492.db2.gz BRQRMNXWQKGUKH-OAHLLOKOSA-N 1 3 303.450 2.107 20 0 DEADHO CC[NH2+][C@@H](C)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000638098328 406569185 /nfs/dbraw/zinc/56/91/85/406569185.db2.gz BRQRMNXWQKGUKH-HNNXBMFYSA-N 1 3 303.450 2.107 20 0 DEADHO CC[NH2+][C@H](C)C(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC ZINC000638059642 406548561 /nfs/dbraw/zinc/54/85/61/406548561.db2.gz VTRCETLZIJXDRN-PBHICJAKSA-N 1 3 321.465 2.192 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc2cc[nH]c21 ZINC000526162926 406551031 /nfs/dbraw/zinc/55/10/31/406551031.db2.gz JNSGFOWEDFYHAN-UHFFFAOYSA-N 1 3 317.437 2.125 20 0 DEADHO CC[NH+](CC)Cc1cccc(NC(=O)[C@@]2(C)C[C@@H](OC)CN2)c1 ZINC000638065850 406552763 /nfs/dbraw/zinc/55/27/63/406552763.db2.gz BUSYMWRJSIZAEY-SJLPKXTDSA-N 1 3 319.449 2.234 20 0 DEADHO CC(C)OC1CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000548843889 406559193 /nfs/dbraw/zinc/55/91/93/406559193.db2.gz BQELIRMXZUVZER-UHFFFAOYSA-N 1 3 311.514 2.292 20 0 DEADHO CCOC[C@H](O)CNCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000571754874 406560290 /nfs/dbraw/zinc/56/02/90/406560290.db2.gz PLXNAVVDJASJMU-LJQANCHMSA-N 1 3 320.477 2.406 20 0 DEADHO CN1CCC(N(Cc2ccco2)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000635556762 406588995 /nfs/dbraw/zinc/58/89/95/406588995.db2.gz RSEWQAWLEFEXFL-UHFFFAOYSA-N 1 3 319.449 2.044 20 0 DEADHO C[NH+](C)CCC1CCN(C(=O)[C@@H]2CCN2C2CCCC2)CC1 ZINC000635558913 406591071 /nfs/dbraw/zinc/59/10/71/406591071.db2.gz OLQYFZAKIMXCIV-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO CC[NH+](CC)Cc1ccccc1CNC[C@]1(OC)CCOC1 ZINC000638311731 406690899 /nfs/dbraw/zinc/69/08/99/406690899.db2.gz AYFNREYTIJYCJB-GOSISDBHSA-N 1 3 306.450 2.424 20 0 DEADHO CC1(C)CN[C@@H]1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000645928105 406705528 /nfs/dbraw/zinc/70/55/28/406705528.db2.gz WWNQRHSLFOJQNP-HZPDHXFCSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H]2NCC2(C)C)C1 ZINC000645989575 406733133 /nfs/dbraw/zinc/73/31/33/406733133.db2.gz MIHBVXOJLGPUMQ-OWCLPIDISA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]2NCC2(C)C)C1 ZINC000645989575 406733137 /nfs/dbraw/zinc/73/31/37/406733137.db2.gz MIHBVXOJLGPUMQ-OWCLPIDISA-N 1 3 307.482 2.097 20 0 DEADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)CN2CCCCC2)[C@]12CCCO2 ZINC000638391143 406743058 /nfs/dbraw/zinc/74/30/58/406743058.db2.gz PDPWMORBTYIMCI-BRSBDYLESA-N 1 3 310.482 2.425 20 0 DEADHO CCC[C@H](C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)OC ZINC000638367628 406728807 /nfs/dbraw/zinc/72/88/07/406728807.db2.gz QEEUCNHSMSSQHT-LJQANCHMSA-N 1 3 319.493 2.339 20 0 DEADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000527941476 406792586 /nfs/dbraw/zinc/79/25/86/406792586.db2.gz ZVNKWTZGACPMQI-FDYHWXHSSA-N 1 3 304.360 2.305 20 0 DEADHO CCc1[nH+]c2ccccc2c(NC[C@H]2CN(C)CCN2C)c1C ZINC000554475915 406800118 /nfs/dbraw/zinc/80/01/18/406800118.db2.gz UWSXQLXZJPNCEH-HNNXBMFYSA-N 1 3 312.461 2.185 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000646246782 406825159 /nfs/dbraw/zinc/82/51/59/406825159.db2.gz UARRVUDHPZTVHL-UHFFFAOYSA-N 1 3 315.461 2.306 20 0 DEADHO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000646479666 406871064 /nfs/dbraw/zinc/87/10/64/406871064.db2.gz SPRQQYKUMJZPIR-BPQIPLTHSA-N 1 3 315.461 2.202 20 0 DEADHO CC[NH+](CC)CC[C@H](CO)N[C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000641769401 406888374 /nfs/dbraw/zinc/88/83/74/406888374.db2.gz ATICZMLWJWJMIH-BSDSXHPESA-N 1 3 312.498 2.264 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N(C)CCCC[NH+]2CCCCC2)CCN1C ZINC000641809709 406899046 /nfs/dbraw/zinc/89/90/46/406899046.db2.gz UKWZVNYLWMJXAN-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO CCCN1CC[C@@H](NC(=O)N(C)CCCC[NH+]2CCCCC2)C1 ZINC000641837585 406903535 /nfs/dbraw/zinc/90/35/35/406903535.db2.gz NVIGXWAJFSIDTR-QGZVFWFLSA-N 1 3 324.513 2.378 20 0 DEADHO C[C@@H](C(=O)N(C)CCC[NH3+])N1CCC(Cc2ccccc2)CC1 ZINC000646783199 406907745 /nfs/dbraw/zinc/90/77/45/406907745.db2.gz UHNJSOWBKRVNOQ-INIZCTEOSA-N 1 3 317.477 2.137 20 0 DEADHO CN1CCN(CCCC[NH2+][C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000643307474 406978427 /nfs/dbraw/zinc/97/84/27/406978427.db2.gz QVDLRVHIJGGQBN-LJQANCHMSA-N 1 3 317.477 2.387 20 0 DEADHO C[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000643538681 407012536 /nfs/dbraw/zinc/01/25/36/407012536.db2.gz RPKAZPUXJGTKOT-BGTYHANMSA-N 1 3 305.441 2.187 20 0 DEADHO FC(F)CN1CCC(N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000643459979 407003228 /nfs/dbraw/zinc/00/32/28/407003228.db2.gz FXJJBFRAPZAOKD-SOUVJXGZSA-N 1 3 301.425 2.226 20 0 DEADHO Cc1cc(CN(C)CCN2CC[NH2+]CC2)ccc1C(F)(F)F ZINC000647492727 407006697 /nfs/dbraw/zinc/00/66/97/407006697.db2.gz VKTCJULYACGPNG-UHFFFAOYSA-N 1 3 315.383 2.351 20 0 DEADHO Cc1cc(CCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)on1 ZINC000643489061 407006892 /nfs/dbraw/zinc/00/68/92/407006892.db2.gz MSELRGDKINMZPH-FUHWJXTLSA-N 1 3 313.401 2.371 20 0 DEADHO CN(C(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000647975207 407091374 /nfs/dbraw/zinc/09/13/74/407091374.db2.gz QIAPGHKPFUUZOP-IAGOWNOFSA-N 1 3 315.461 2.361 20 0 DEADHO CN(C(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)C1CCCCC1 ZINC000647975247 407091888 /nfs/dbraw/zinc/09/18/88/407091888.db2.gz RZTIAUBEWBZLQF-SJORKVTESA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)CN(C(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)C1CC1 ZINC000647978134 407092573 /nfs/dbraw/zinc/09/25/73/407092573.db2.gz NBMVUDABWBTDFV-IRXDYDNUSA-N 1 3 321.509 2.345 20 0 DEADHO CCCN(CCC)C(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976784 407092691 /nfs/dbraw/zinc/09/26/91/407092691.db2.gz UHUVMXDTANWTDZ-IRXDYDNUSA-N 1 3 309.498 2.347 20 0 DEADHO CC[C@H]1CN(CCC(=O)N2CCc3ccccc32)CC[C@@H]1[NH3+] ZINC000647938450 407079967 /nfs/dbraw/zinc/07/99/67/407079967.db2.gz NKBJQDOLDIJADR-HOCLYGCPSA-N 1 3 301.434 2.025 20 0 DEADHO COc1ccccc1C(C)(C)CNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000644531342 407137413 /nfs/dbraw/zinc/13/74/13/407137413.db2.gz MXZFPIUKRICWRJ-OAHLLOKOSA-N 1 3 306.450 2.018 20 0 DEADHO COc1ccccc1C(C)(C)CNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000644531342 407137415 /nfs/dbraw/zinc/13/74/15/407137415.db2.gz MXZFPIUKRICWRJ-OAHLLOKOSA-N 1 3 306.450 2.018 20 0 DEADHO Cc1cc(CN[C@@H](C)C2CC[NH+](C)CC2)nc(N2CCCC2)n1 ZINC000644558440 407142452 /nfs/dbraw/zinc/14/24/52/407142452.db2.gz LLGGSQMCTJHNAC-HNNXBMFYSA-N 1 3 317.481 2.205 20 0 DEADHO C[C@@H](C1CC1)N(C(=O)CN1CCC([C@H]2CCC[NH2+]2)CC1)C1CC1 ZINC000420333545 286789205 /nfs/dbraw/zinc/78/92/05/286789205.db2.gz HRRAJBLOEXCILK-KBXCAEBGSA-N 1 3 319.493 2.240 20 0 DEADHO CCCN(C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1)[C@@H]1CCN(C)C1 ZINC000645162716 407240195 /nfs/dbraw/zinc/24/01/95/407240195.db2.gz QJXXGKJOGHOTCY-YESZJQIVSA-N 1 3 324.513 2.233 20 0 DEADHO CCCN(C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1)[C@@H]1CCN(C)C1 ZINC000645162716 407240196 /nfs/dbraw/zinc/24/01/96/407240196.db2.gz QJXXGKJOGHOTCY-YESZJQIVSA-N 1 3 324.513 2.233 20 0 DEADHO CCCN(C(=O)NC[C@H](C)[NH+]1CCC(C)CC1)[C@H]1CCN(C)C1 ZINC000645222852 407248790 /nfs/dbraw/zinc/24/87/90/407248790.db2.gz RUCWXJKQHYXMRK-IRXDYDNUSA-N 1 3 324.513 2.233 20 0 DEADHO CCCN(C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)[C@@H]1CCN(C)C1 ZINC000645361822 407268746 /nfs/dbraw/zinc/26/87/46/407268746.db2.gz ZRRXQMNCVYOPIQ-IAGOWNOFSA-N 1 3 324.513 2.090 20 0 DEADHO CCCN(C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1)[C@@H]1CCN(C)C1 ZINC000645361822 407268748 /nfs/dbraw/zinc/26/87/48/407268748.db2.gz ZRRXQMNCVYOPIQ-IAGOWNOFSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000345098031 298566917 /nfs/dbraw/zinc/56/69/17/298566917.db2.gz DMALZLAACFCKEJ-IKGGRYGDSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H](NC1CCN([C@H](C)c2ccncc2)CC1)[C@H]1CCC[NH2+]1 ZINC000422971484 287013685 /nfs/dbraw/zinc/01/36/85/287013685.db2.gz YKUMRSHLQQWBPJ-IIDMSEBBSA-N 1 3 302.466 2.337 20 0 DEADHO C[C@@H](O)CC[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000292131900 287079558 /nfs/dbraw/zinc/07/95/58/287079558.db2.gz LQTQANQRXZNPDK-GDBMZVCRSA-N 1 3 304.434 2.335 20 0 DEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000423838487 287157625 /nfs/dbraw/zinc/15/76/25/287157625.db2.gz CHVIRYZGHVYAGB-XJKSGUPXSA-N 1 3 318.465 2.097 20 0 DEADHO CC[C@@H](C)N[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccco1 ZINC000571915268 292581451 /nfs/dbraw/zinc/58/14/51/292581451.db2.gz YVXHUXCWERUIDC-FMKPAKJESA-N 1 3 309.454 2.411 20 0 DEADHO C[NH+](C)CCC1CCN(C(=O)C2CCN(C3CC3)CC2)CC1 ZINC000194604385 225185071 /nfs/dbraw/zinc/18/50/71/225185071.db2.gz QWZYYTGYDDTFMH-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000291144837 222171744 /nfs/dbraw/zinc/17/17/44/222171744.db2.gz GOGHTYYGXXNIFR-NYTXWWLZSA-N 1 3 319.424 2.249 20 0 DEADHO CCN1CC[C@H]([NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)[C@H](C)C1 ZINC000291155504 222179320 /nfs/dbraw/zinc/17/93/20/222179320.db2.gz HRSBDJYKYLFKJP-YCPHGPKFSA-N 1 3 319.424 2.251 20 0 DEADHO COc1ccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c(OC)c1 ZINC000414783985 228557524 /nfs/dbraw/zinc/55/75/24/228557524.db2.gz IDQUFTQBKAZXFE-AEFFLSMTSA-N 1 3 320.433 2.032 20 0 DEADHO C[C@]1(CNC(=O)N2CCC[C@H]2CN2CCCCC2)CCC[NH2+]C1 ZINC000418541104 229381713 /nfs/dbraw/zinc/38/17/13/229381713.db2.gz NCONVHVMSHFXLU-WMZOPIPTSA-N 1 3 322.497 2.036 20 0 DEADHO COCCN(C)CC[C@@H](N[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000422712528 230171303 /nfs/dbraw/zinc/17/13/03/230171303.db2.gz ILQIOXQKZQLLLU-RTBURBONSA-N 1 3 319.493 2.428 20 0 DEADHO Cc1cccc(N2CCC(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)n1 ZINC000422752254 230190510 /nfs/dbraw/zinc/19/05/10/230190510.db2.gz CKOWBCYYHVNFHC-SJPCQFCGSA-N 1 3 300.450 2.231 20 0 DEADHO COc1cc(OC)c(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(OC)c1 ZINC000422886152 230260108 /nfs/dbraw/zinc/26/01/08/230260108.db2.gz HXAAOASDYYGNGR-PBWFPOADSA-N 1 3 320.433 2.128 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CCC[C@@H]2[NH3+])C[C@H](C)O1 ZINC000422951080 230291214 /nfs/dbraw/zinc/29/12/14/230291214.db2.gz XKQJHASNWVCPQB-QGWWYQLQSA-N 1 3 317.477 2.265 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2N)C[C@H](C)O1 ZINC000422951080 230291221 /nfs/dbraw/zinc/29/12/21/230291221.db2.gz XKQJHASNWVCPQB-QGWWYQLQSA-N 1 3 317.477 2.265 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCNC(=O)c1ccccc1Cl ZINC000422957484 230292705 /nfs/dbraw/zinc/29/27/05/230292705.db2.gz UJJVRXVZAGHBNL-DOMZBBRYSA-N 1 3 309.841 2.177 20 0 DEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCNC(=O)c1ccccc1Cl ZINC000422957484 230292711 /nfs/dbraw/zinc/29/27/11/230292711.db2.gz UJJVRXVZAGHBNL-DOMZBBRYSA-N 1 3 309.841 2.177 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1cccc(CN2CCCC2=O)c1 ZINC000422956097 230293087 /nfs/dbraw/zinc/29/30/87/230293087.db2.gz KOKRZZJXVNDKIK-IRXDYDNUSA-N 1 3 301.434 2.026 20 0 DEADHO O=C(NCCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1cccs1 ZINC000422958725 230295010 /nfs/dbraw/zinc/29/50/10/230295010.db2.gz YWWDMHFKJKOUOW-ZNMIVQPWSA-N 1 3 321.490 2.378 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@H]1Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000422983646 230305182 /nfs/dbraw/zinc/30/51/82/230305182.db2.gz ULOGTATWVSOVHC-DNVCBOLYSA-N 1 3 317.477 2.301 20 0 DEADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000422984832 230305392 /nfs/dbraw/zinc/30/53/92/230305392.db2.gz BMDFGMKVOYOMRM-XKQJLSEDSA-N 1 3 306.425 2.490 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCC1(Cc2ccc(F)cc2)CC1 ZINC000422984832 230305394 /nfs/dbraw/zinc/30/53/94/230305394.db2.gz BMDFGMKVOYOMRM-XKQJLSEDSA-N 1 3 306.425 2.490 20 0 DEADHO C[C@H]1CC[NH2+]CC[C@H]1NCCOc1ncccc1C(F)(F)F ZINC000422994301 230309462 /nfs/dbraw/zinc/30/94/62/230309462.db2.gz HMCTYTFIEBWGHI-WCQYABFASA-N 1 3 317.355 2.457 20 0 DEADHO C[C@H](NCCCc1nc(-c2ccc(F)cc2)no1)C1C[NH2+]C1 ZINC000423035545 230324337 /nfs/dbraw/zinc/32/43/37/230324337.db2.gz RTHRFWVDLRSWIO-NSHDSACASA-N 1 3 304.369 2.006 20 0 DEADHO C[C@H]([NH2+]CCCc1nc(-c2ccc(F)cc2)no1)C1CNC1 ZINC000423035545 230324341 /nfs/dbraw/zinc/32/43/41/230324341.db2.gz RTHRFWVDLRSWIO-NSHDSACASA-N 1 3 304.369 2.006 20 0 DEADHO C[C@H](NCCCOc1ccc(C(F)(F)F)cn1)[C@@H]1CC[NH2+]C1 ZINC000423068352 230337815 /nfs/dbraw/zinc/33/78/15/230337815.db2.gz BLWSZSJYPFUQJH-NWDGAFQWSA-N 1 3 317.355 2.457 20 0 DEADHO C[C@H](C[C@H](C)N)[NH2+]CCCCn1cc(Br)cn1 ZINC000423082552 230344013 /nfs/dbraw/zinc/34/40/13/230344013.db2.gz DJIMZBWDCFIZQU-WDEREUQCSA-N 1 3 303.248 2.141 20 0 DEADHO CCCN(C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)[C@H]1CCN(C)C1 ZINC000637470212 424853131 /nfs/dbraw/zinc/85/31/31/424853131.db2.gz KGBJUIZXGNEGGK-SJORKVTESA-N 1 3 322.497 2.129 20 0 DEADHO CCCN(C(=O)NC[C@H]1CC[N@H+]1C1CCCC1)[C@H]1CCN(C)C1 ZINC000637470212 424853133 /nfs/dbraw/zinc/85/31/33/424853133.db2.gz KGBJUIZXGNEGGK-SJORKVTESA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H](c1ccc(OC(F)F)cc1)N(C)CCN1CC[NH2+]CC1 ZINC000316119995 424898042 /nfs/dbraw/zinc/89/80/42/424898042.db2.gz PDMAMQLLTVRUAF-CYBMUJFWSA-N 1 3 313.392 2.186 20 0 DEADHO c1ccc(N2CC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)nc1 ZINC000415088173 424950124 /nfs/dbraw/zinc/95/01/24/424950124.db2.gz UWVZEMDIXYUSOS-MWDXBVQZSA-N 1 3 300.450 2.171 20 0 DEADHO CN1CC=C(CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416196543 424956447 /nfs/dbraw/zinc/95/64/47/424956447.db2.gz WXZBBVJMWGDHMK-KRWDZBQOSA-N 1 3 301.434 2.058 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@H]2CCCCCN2)C1 ZINC000649307202 424989614 /nfs/dbraw/zinc/98/96/14/424989614.db2.gz ADSFEXKRWXAJKO-OWCLPIDISA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@H]2CCCCCN2)C1 ZINC000649307202 424989616 /nfs/dbraw/zinc/98/96/16/424989616.db2.gz ADSFEXKRWXAJKO-OWCLPIDISA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@]1(C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649342574 424997783 /nfs/dbraw/zinc/99/77/83/424997783.db2.gz ADUSOPGAXNRQMM-PKOBYXMFSA-N 1 3 315.461 2.252 20 0 DEADHO COc1ccc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1O ZINC000650705808 425038103 /nfs/dbraw/zinc/03/81/03/425038103.db2.gz WLRVXAOCFCKWOF-MPGHIAIKSA-N 1 3 320.433 2.119 20 0 DEADHO CC[C@H](OCCN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])c1ccccc1 ZINC000650741700 425046737 /nfs/dbraw/zinc/04/67/37/425046737.db2.gz JUWYARXUEHJRSE-HPBDAGMYSA-N 1 3 306.450 2.496 20 0 DEADHO C[C@@H](C1CCN(C)CC1)[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000651393550 425133500 /nfs/dbraw/zinc/13/35/00/425133500.db2.gz AJGNZCPMGHWZHO-GJZGRUSLSA-N 1 3 309.498 2.330 20 0 DEADHO C[C@@H](C1CCN(C)CC1)[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000651393550 425133501 /nfs/dbraw/zinc/13/35/01/425133501.db2.gz AJGNZCPMGHWZHO-GJZGRUSLSA-N 1 3 309.498 2.330 20 0 DEADHO CN1CCC(N2CC[C@H]([NH2+]Cc3cccc4c3CCC4)C2)CC1 ZINC000651709292 425144106 /nfs/dbraw/zinc/14/41/06/425144106.db2.gz QVSKPJMERDBOOF-SFHVURJKSA-N 1 3 313.489 2.433 20 0 DEADHO CN(CCN1CCCCC1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000650935489 425079427 /nfs/dbraw/zinc/07/94/27/425079427.db2.gz KPYSNWLCGYADCA-ALOPSCKCSA-N 1 3 322.497 2.129 20 0 DEADHO CN(CCN1CCCCC1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000650935489 425079430 /nfs/dbraw/zinc/07/94/30/425079430.db2.gz KPYSNWLCGYADCA-ALOPSCKCSA-N 1 3 322.497 2.129 20 0 DEADHO Cn1nnc2cc(CN3CCC([C@H]4CCC[NH2+]C4)CC3)ccc21 ZINC000656785144 425188257 /nfs/dbraw/zinc/18/82/57/425188257.db2.gz JLEDQYUMBMCWEH-INIZCTEOSA-N 1 3 313.449 2.180 20 0 DEADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)COCc1cccs1)C2 ZINC000660653904 425193068 /nfs/dbraw/zinc/19/30/68/425193068.db2.gz DKFIHRMNCHDDCR-NVXWUHKLSA-N 1 3 324.490 2.043 20 0 DEADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)COCc1cccs1)C2 ZINC000660653904 425193070 /nfs/dbraw/zinc/19/30/70/425193070.db2.gz DKFIHRMNCHDDCR-NVXWUHKLSA-N 1 3 324.490 2.043 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCC[N@@H+]2CCCC[C@@H]2CC)C1 ZINC000660660430 425198346 /nfs/dbraw/zinc/19/83/46/425198346.db2.gz VHEUFABRQONKCY-HOTGVXAUSA-N 1 3 310.486 2.034 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCC[N@H+]2CCCC[C@@H]2CC)C1 ZINC000660660430 425198351 /nfs/dbraw/zinc/19/83/51/425198351.db2.gz VHEUFABRQONKCY-HOTGVXAUSA-N 1 3 310.486 2.034 20 0 DEADHO C[N@@H+]1CC[C@@]2(C1)CCCN(C[C@H](O)CCc1ccccc1)C2 ZINC000660665664 425200325 /nfs/dbraw/zinc/20/03/25/425200325.db2.gz WYUJFSWZUNTZFC-RTBURBONSA-N 1 3 302.462 2.398 20 0 DEADHO C[N@H+]1CC[C@@]2(C1)CCCN(C[C@H](O)CCc1ccccc1)C2 ZINC000660665664 425200332 /nfs/dbraw/zinc/20/03/32/425200332.db2.gz WYUJFSWZUNTZFC-RTBURBONSA-N 1 3 302.462 2.398 20 0 DEADHO CCN(C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[C@H]1CCN(C)C1 ZINC000663654576 425206302 /nfs/dbraw/zinc/20/63/02/425206302.db2.gz HZTDNOBVELVEJT-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO CCN(C(=O)NCCCC[N@H+]1CCCC[C@H]1C)[C@H]1CCN(C)C1 ZINC000663654576 425206306 /nfs/dbraw/zinc/20/63/06/425206306.db2.gz HZTDNOBVELVEJT-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC[C@]2(O)CCOC2)CC1 ZINC000651944354 425153207 /nfs/dbraw/zinc/15/32/07/425153207.db2.gz SXSDOGMSUPGCGR-NXHRZFHOSA-N 1 3 310.482 2.161 20 0 DEADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CC[C@]2(O)CCOC2)CC1 ZINC000651944354 425153208 /nfs/dbraw/zinc/15/32/08/425153208.db2.gz SXSDOGMSUPGCGR-NXHRZFHOSA-N 1 3 310.482 2.161 20 0 DEADHO CCN(C(=O)NC[C@H](C)C[NH+]1CCCCC1)[C@@H]1CCN(CC)C1 ZINC000663756334 425228859 /nfs/dbraw/zinc/22/88/59/425228859.db2.gz VWXSEAZQQCQSTH-DLBZAZTESA-N 1 3 324.513 2.234 20 0 DEADHO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000660821425 425245259 /nfs/dbraw/zinc/24/52/59/425245259.db2.gz CXXDSAZNADYDBD-HZPDHXFCSA-N 1 3 312.502 2.136 20 0 DEADHO Cc1ccc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c(C)n1 ZINC000652349706 425245749 /nfs/dbraw/zinc/24/57/49/425245749.db2.gz ZTXFAIOCVXGDKT-KSZLIROESA-N 1 3 303.450 2.417 20 0 DEADHO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000660821427 425246352 /nfs/dbraw/zinc/24/63/52/425246352.db2.gz CXXDSAZNADYDBD-JKSUJKDBSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@H](CNC(=O)NC[C@@H]1CCN1C(C)(C)C)[NH+]1CCC(C)CC1 ZINC000660846793 425255294 /nfs/dbraw/zinc/25/52/94/425255294.db2.gz IRPYAIYMZOYQSL-CVEARBPZSA-N 1 3 324.513 2.279 20 0 DEADHO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(c2nccc3[nH]ccc32)C1 ZINC000663899592 425263019 /nfs/dbraw/zinc/26/30/19/425263019.db2.gz JZLRGRDIHRWZDO-KBPBESRZSA-N 1 3 300.406 2.252 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CCCCCC1 ZINC000654311043 425323253 /nfs/dbraw/zinc/32/32/53/425323253.db2.gz MUAQOGMNVYZVHM-ZACQAIPSSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)N1CCCCCC1 ZINC000654311043 425323255 /nfs/dbraw/zinc/32/32/55/425323255.db2.gz MUAQOGMNVYZVHM-ZACQAIPSSA-N 1 3 307.482 2.384 20 0 DEADHO CCN(C(=O)NCCCCC[NH+]1CCCCC1)[C@@H]1CCN(C)C1 ZINC000664186424 425326929 /nfs/dbraw/zinc/32/69/29/425326929.db2.gz QVWMBJDIJWEZMI-QGZVFWFLSA-N 1 3 324.513 2.378 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000664213288 425332059 /nfs/dbraw/zinc/33/20/59/425332059.db2.gz NIPCIXLFYQQAME-DOTOQJQBSA-N 1 3 322.497 2.177 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000664213288 425332063 /nfs/dbraw/zinc/33/20/63/425332063.db2.gz NIPCIXLFYQQAME-DOTOQJQBSA-N 1 3 322.497 2.177 20 0 DEADHO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CO1 ZINC000657350627 425311711 /nfs/dbraw/zinc/31/17/11/425311711.db2.gz VFAMJDHZLPELSI-PKOBYXMFSA-N 1 3 318.461 2.300 20 0 DEADHO Cn1nc(C(F)(F)F)cc1CNCCCC[N@H+](C)C1CC1 ZINC000657486700 425347528 /nfs/dbraw/zinc/34/75/28/425347528.db2.gz AJAMUWHZDOSYQD-UHFFFAOYSA-N 1 3 304.360 2.403 20 0 DEADHO Cn1nc(C(F)(F)F)cc1CNCCCC[N@@H+](C)C1CC1 ZINC000657486700 425347532 /nfs/dbraw/zinc/34/75/32/425347532.db2.gz AJAMUWHZDOSYQD-UHFFFAOYSA-N 1 3 304.360 2.403 20 0 DEADHO CC[NH+]1CCC(CNC(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000654419226 425347621 /nfs/dbraw/zinc/34/76/21/425347621.db2.gz NHUQQFMURBNIFZ-IRXDYDNUSA-N 1 3 322.497 2.034 20 0 DEADHO C[NH+]1CCC(CCNC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000654427249 425351724 /nfs/dbraw/zinc/35/17/24/425351724.db2.gz GQLSXZFDEJJSJJ-SJORKVTESA-N 1 3 322.497 2.034 20 0 DEADHO Cc1n[nH]c(C)c1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657535975 425358696 /nfs/dbraw/zinc/35/86/96/425358696.db2.gz VQRXKGIJSUDJOF-UHFFFAOYSA-N 1 3 306.454 2.007 20 0 DEADHO CC(C)n1ccnc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657537162 425359160 /nfs/dbraw/zinc/35/91/60/425359160.db2.gz ANDRTJXOZPATBR-UHFFFAOYSA-N 1 3 320.481 2.445 20 0 DEADHO C[C@H](C[NH+]1CCC(C)CC1)NCc1ccnn1-c1ccncc1 ZINC000657694607 425387859 /nfs/dbraw/zinc/38/78/59/425387859.db2.gz NJEXITPPVNUHJR-MRXNPFEDSA-N 1 3 313.449 2.477 20 0 DEADHO C[C@H](CN1CCC(C)CC1)[NH2+]Cc1ccnn1-c1ccncc1 ZINC000657694607 425387862 /nfs/dbraw/zinc/38/78/62/425387862.db2.gz NJEXITPPVNUHJR-MRXNPFEDSA-N 1 3 313.449 2.477 20 0 DEADHO CC(C)(C)N1CC[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000661406165 425400403 /nfs/dbraw/zinc/40/04/03/425400403.db2.gz IPIMXBSOSJZEQB-KGLIPLIRSA-N 1 3 310.486 2.031 20 0 DEADHO CC(C)(C)N1CC[C@H]1CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661406165 425400404 /nfs/dbraw/zinc/40/04/04/425400404.db2.gz IPIMXBSOSJZEQB-KGLIPLIRSA-N 1 3 310.486 2.031 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000653112312 425407418 /nfs/dbraw/zinc/40/74/18/425407418.db2.gz UYIWHWJBIJZQTJ-IRXDYDNUSA-N 1 3 303.450 2.104 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2COC3(CCC3)C2)[C@@H](C)C1 ZINC000657883937 425412548 /nfs/dbraw/zinc/41/25/48/425412548.db2.gz HMXKJPLJWAEQRB-BBWFWOEESA-N 1 3 310.482 2.425 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2COC3(CCC3)C2)[C@@H](C)C1 ZINC000657883937 425412549 /nfs/dbraw/zinc/41/25/49/425412549.db2.gz HMXKJPLJWAEQRB-BBWFWOEESA-N 1 3 310.482 2.425 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000654524055 425374400 /nfs/dbraw/zinc/37/44/00/425374400.db2.gz RCCCXKNDOHWNMS-HNNXBMFYSA-N 1 3 322.497 2.153 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000654524055 425374403 /nfs/dbraw/zinc/37/44/03/425374403.db2.gz RCCCXKNDOHWNMS-HNNXBMFYSA-N 1 3 322.497 2.153 20 0 DEADHO CC[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CO1 ZINC000657613249 425375215 /nfs/dbraw/zinc/37/52/15/425375215.db2.gz JQIRRXKSMPZHOJ-ZWKOTPCHSA-N 1 3 303.450 2.451 20 0 DEADHO Cc1nn(C)cc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657612930 425375748 /nfs/dbraw/zinc/37/57/48/425375748.db2.gz FQECUONYBPBQII-UHFFFAOYSA-N 1 3 313.449 2.125 20 0 DEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653148829 425418173 /nfs/dbraw/zinc/41/81/73/425418173.db2.gz MRUOKCFGDVXFML-MRXNPFEDSA-N 1 3 321.440 2.106 20 0 DEADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+]C2CC(CF)(CF)C2)C1 ZINC000657968595 425422589 /nfs/dbraw/zinc/42/25/89/425422589.db2.gz CRMDTIGVMDLUIY-QGZVFWFLSA-N 1 3 324.415 2.431 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000661508345 425430544 /nfs/dbraw/zinc/43/05/44/425430544.db2.gz WALRRMVQEYWQLX-HZPDHXFCSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000661508345 425430549 /nfs/dbraw/zinc/43/05/49/425430549.db2.gz WALRRMVQEYWQLX-HZPDHXFCSA-N 1 3 322.497 2.129 20 0 DEADHO CC[N@H+](CCCNC(=O)[C@H](N)CC(F)F)C1CCCCC1 ZINC000653200361 425431970 /nfs/dbraw/zinc/43/19/70/425431970.db2.gz BOXVHYISPVYDEK-CYBMUJFWSA-N 1 3 305.413 2.130 20 0 DEADHO CC[N@@H+](CCCNC(=O)[C@H](N)CC(F)F)C1CCCCC1 ZINC000653200361 425431974 /nfs/dbraw/zinc/43/19/74/425431974.db2.gz BOXVHYISPVYDEK-CYBMUJFWSA-N 1 3 305.413 2.130 20 0 DEADHO Cc1n[nH]cc1[C@H](C)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658135914 425442961 /nfs/dbraw/zinc/44/29/61/425442961.db2.gz FVBFBAGJFCRTMY-SUMWQHHRSA-N 1 3 314.433 2.136 20 0 DEADHO Cc1n[nH]cc1[C@H](C)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658135914 425442964 /nfs/dbraw/zinc/44/29/64/425442964.db2.gz FVBFBAGJFCRTMY-SUMWQHHRSA-N 1 3 314.433 2.136 20 0 DEADHO C[C@H](CCCCO)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168426 425449584 /nfs/dbraw/zinc/44/95/84/425449584.db2.gz XBGVYPNQQPGFOB-MRXNPFEDSA-N 1 3 305.466 2.434 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]3C)CC2)CC1 ZINC000654846972 425453578 /nfs/dbraw/zinc/45/35/78/425453578.db2.gz SKPHKDYVINDGBL-HNNXBMFYSA-N 1 3 307.482 2.194 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000661897202 425521661 /nfs/dbraw/zinc/52/16/61/425521661.db2.gz HRAYHYHZHXRPBF-IAGOWNOFSA-N 1 3 324.513 2.233 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000661897201 425522084 /nfs/dbraw/zinc/52/20/84/425522084.db2.gz HRAYHYHZHXRPBF-DLBZAZTESA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H](C[C@H]1CCCCCN1)[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000665235613 425525430 /nfs/dbraw/zinc/52/54/30/425525430.db2.gz XGHIIBSRTBXOHQ-HUUCEWRRSA-N 1 3 316.511 2.102 20 0 DEADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCC1(CS(C)(=O)=O)CC1 ZINC000665235613 425525433 /nfs/dbraw/zinc/52/54/33/425525433.db2.gz XGHIIBSRTBXOHQ-HUUCEWRRSA-N 1 3 316.511 2.102 20 0 DEADHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(COC[C@@H]2CCCO2)c1 ZINC000665294211 425539224 /nfs/dbraw/zinc/53/92/24/425539224.db2.gz KJNAMLOIKXZHTA-KSZLIROESA-N 1 3 304.434 2.352 20 0 DEADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000665357670 425552114 /nfs/dbraw/zinc/55/21/14/425552114.db2.gz SIPVGRGNXMLDPT-OAGGEKHMSA-N 1 3 322.497 2.127 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCN2C(C)(C)C)C[C@@H]1C ZINC000665364128 425555134 /nfs/dbraw/zinc/55/51/34/425555134.db2.gz KIXKCLZISWIPGJ-HRCADAONSA-N 1 3 324.513 2.373 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCN2C(C)(C)C)C[C@@H]1C ZINC000665364128 425555137 /nfs/dbraw/zinc/55/51/37/425555137.db2.gz KIXKCLZISWIPGJ-HRCADAONSA-N 1 3 324.513 2.373 20 0 DEADHO C[C@@H]1C[C@H](N(C)C(=O)C[C@@H]2NCc3ccccc32)CC[N@@H+]1C ZINC000659264934 425563275 /nfs/dbraw/zinc/56/32/75/425563275.db2.gz WLJNKYVRKCDYLO-UNEWFSDZSA-N 1 3 301.434 2.162 20 0 DEADHO C[C@@H]1C[C@H](N(C)C(=O)C[C@@H]2NCc3ccccc32)CC[N@H+]1C ZINC000659264934 425563278 /nfs/dbraw/zinc/56/32/78/425563278.db2.gz WLJNKYVRKCDYLO-UNEWFSDZSA-N 1 3 301.434 2.162 20 0 DEADHO Cc1cc(CN(C)C)cc(NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)c1 ZINC000655469972 425575567 /nfs/dbraw/zinc/57/55/67/425575567.db2.gz GFKQYEWOELGKIJ-FUHWJXTLSA-N 1 3 301.434 2.385 20 0 DEADHO COCC[C@@H](c1ccccc1)[NH+]1CCC(N2CC[C@@H](O)C2)CC1 ZINC000662153000 425577893 /nfs/dbraw/zinc/57/78/93/425577893.db2.gz LVBLVUMMDYFYBP-MOPGFXCFSA-N 1 3 318.461 2.295 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000655494710 425581143 /nfs/dbraw/zinc/58/11/43/425581143.db2.gz NKBKHDUKPBCJLE-MRXNPFEDSA-N 1 3 303.450 2.409 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000655494467 425581959 /nfs/dbraw/zinc/58/19/59/425581959.db2.gz CMHZBQKJDBYVDA-QGZVFWFLSA-N 1 3 315.461 2.206 20 0 DEADHO CC(C)(C)N1CC[C@@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000665557341 425595708 /nfs/dbraw/zinc/59/57/08/425595708.db2.gz RYZGXFBSQKZMMZ-CVEARBPZSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662256343 425603751 /nfs/dbraw/zinc/60/37/51/425603751.db2.gz IKKKAFQYBNQEQC-KBAYOESNSA-N 1 3 300.446 2.461 20 0 DEADHO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662256343 425603755 /nfs/dbraw/zinc/60/37/55/425603755.db2.gz IKKKAFQYBNQEQC-KBAYOESNSA-N 1 3 300.446 2.461 20 0 DEADHO CN(Cc1ccccc1N1CCCC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662259719 425603978 /nfs/dbraw/zinc/60/39/78/425603978.db2.gz AROPRFVVDVGEHV-QGZVFWFLSA-N 1 3 315.461 2.240 20 0 DEADHO COc1ccccc1[C@@H]1CC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662257049 425604369 /nfs/dbraw/zinc/60/43/69/425604369.db2.gz PGIPDILIRXMHKI-CABCVRRESA-N 1 3 302.418 2.006 20 0 DEADHO COc1ccccc1[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662257049 425604372 /nfs/dbraw/zinc/60/43/72/425604372.db2.gz PGIPDILIRXMHKI-CABCVRRESA-N 1 3 302.418 2.006 20 0 DEADHO C([C@@H]1CCC2(CNC2)O1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000662261320 425606140 /nfs/dbraw/zinc/60/61/40/425606140.db2.gz HRKQONRHIRVFGJ-MSOLQXFVSA-N 1 3 321.509 2.095 20 0 DEADHO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662261916 425607129 /nfs/dbraw/zinc/60/71/29/425607129.db2.gz CGXTUWMLNMWYLR-IRXDYDNUSA-N 1 3 315.461 2.238 20 0 DEADHO CC[C@H]1CN(C)c2ccccc2C[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662261916 425607132 /nfs/dbraw/zinc/60/71/32/425607132.db2.gz CGXTUWMLNMWYLR-IRXDYDNUSA-N 1 3 315.461 2.238 20 0 DEADHO C[NH2+]C[C@@H](C)NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000659456889 425607249 /nfs/dbraw/zinc/60/72/49/425607249.db2.gz SOGDNXQHYUQBLX-HUUCEWRRSA-N 1 3 318.465 2.119 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659459287 425608108 /nfs/dbraw/zinc/60/81/08/425608108.db2.gz WXIPPBKZQLCBNJ-PMPSAXMXSA-N 1 3 310.486 2.020 20 0 DEADHO CO[C@@H](CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1ccccc1 ZINC000662273792 425609676 /nfs/dbraw/zinc/60/96/76/425609676.db2.gz PELLJMGXCPIDCE-SQNIBIBYSA-N 1 3 304.434 2.202 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc2c(s1)CCNC2 ZINC000662405657 425642813 /nfs/dbraw/zinc/64/28/13/425642813.db2.gz ZZVAOQFUOQBGFL-STQMWFEESA-N 1 3 321.490 2.244 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc2c(s1)CCNC2 ZINC000662405657 425642816 /nfs/dbraw/zinc/64/28/16/425642816.db2.gz ZZVAOQFUOQBGFL-STQMWFEESA-N 1 3 321.490 2.244 20 0 DEADHO O=C(NCC[NH2+]C1CCCCCC1)c1cccc2c1CNC2 ZINC000662423645 425647519 /nfs/dbraw/zinc/64/75/19/425647519.db2.gz ZOMKJSYTQCEYJQ-UHFFFAOYSA-N 1 3 301.434 2.332 20 0 DEADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C[C@@H]1NCc2ccccc21 ZINC000662462066 425656851 /nfs/dbraw/zinc/65/68/51/425656851.db2.gz GKVGUVAQOQVKRG-WBVHZDCISA-N 1 3 301.434 2.212 20 0 DEADHO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C[C@H]2C[C@@H](N(C)C)C2)cc1 ZINC000655804860 425658963 /nfs/dbraw/zinc/65/89/63/425658963.db2.gz DQXCERIUZKZLPB-HRCADAONSA-N 1 3 324.490 2.087 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)N(CCCc1ccccc1)CCN(C)C ZINC000662473391 425659615 /nfs/dbraw/zinc/65/96/15/425659615.db2.gz INPZBRVTFYEUJZ-KRWDZBQOSA-N 1 3 305.466 2.007 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)c2cccc3c2CNC3)CC1 ZINC000662475538 425661441 /nfs/dbraw/zinc/66/14/41/425661441.db2.gz FINXTFSKAWKZRV-UHFFFAOYSA-N 1 3 301.434 2.142 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc3c(s2)CCNC3)C1 ZINC000662499350 425666974 /nfs/dbraw/zinc/66/69/74/425666974.db2.gz ZGDRRHZFTQDIMH-CYBMUJFWSA-N 1 3 321.490 2.102 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cc3c(s2)CCNC3)C1 ZINC000662499350 425666977 /nfs/dbraw/zinc/66/69/77/425666977.db2.gz ZGDRRHZFTQDIMH-CYBMUJFWSA-N 1 3 321.490 2.102 20 0 DEADHO Cc1ccc(CN(CC2CC2)C[C@@H]2CCC3(C[NH2+]C3)O2)cn1 ZINC000662282042 425612601 /nfs/dbraw/zinc/61/26/01/425612601.db2.gz BNLKUEQRYKNXFN-KRWDZBQOSA-N 1 3 301.434 2.123 20 0 DEADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N(C)CC(C)(C)[NH3+])N(C)C ZINC000659492103 425615214 /nfs/dbraw/zinc/61/52/14/425615214.db2.gz JBGVPIRRWMNGSG-GOEBONIOSA-N 1 3 320.481 2.365 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)N(C)CC(C)(C)[NH3+])c1ccco1 ZINC000659491668 425615590 /nfs/dbraw/zinc/61/55/90/425615590.db2.gz CNYCSCPGAOUNHR-STQMWFEESA-N 1 3 310.442 2.088 20 0 DEADHO CC(C)NC(=O)[C@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000662316687 425621589 /nfs/dbraw/zinc/62/15/89/425621589.db2.gz LXBCLFGJJIJMML-KRWDZBQOSA-N 1 3 315.461 2.069 20 0 DEADHO C(CN1CCCCCC1)[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000655685842 425628558 /nfs/dbraw/zinc/62/85/58/425628558.db2.gz QYJVMRMLZJTINQ-SFHVURJKSA-N 1 3 309.498 2.095 20 0 DEADHO C[C@H]1CCCN(C(C)(C)C[NH2+]C2CCN([C@H]3CCOC3)CC2)C1 ZINC000655698740 425631923 /nfs/dbraw/zinc/63/19/23/425631923.db2.gz WCTCTEYPIDBLEV-WMZOPIPTSA-N 1 3 323.525 2.340 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC ZINC000662366040 425634383 /nfs/dbraw/zinc/63/43/83/425634383.db2.gz ZVBAFKYVIBDJFC-IRXDYDNUSA-N 1 3 321.465 2.192 20 0 DEADHO C[C@@H]1CCC[C@@H](C)N1CC[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000655711086 425634403 /nfs/dbraw/zinc/63/44/03/425634403.db2.gz GOBVSSUTBCADTB-ZHALLVOQSA-N 1 3 323.525 2.482 20 0 DEADHO CC(C)[NH+](CCCNC1CCN([C@@H]2CCOC2)CC1)C(C)C ZINC000655717877 425635900 /nfs/dbraw/zinc/63/59/00/425635900.db2.gz FJNYARZONKHPOW-GOSISDBHSA-N 1 3 311.514 2.338 20 0 DEADHO CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000659623079 425639152 /nfs/dbraw/zinc/63/91/52/425639152.db2.gz AMPJSUPFGACPKA-HZPDHXFCSA-N 1 3 310.486 2.020 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](C2CCC2)C1 ZINC000665763728 425641454 /nfs/dbraw/zinc/64/14/54/425641454.db2.gz KJTVUPPBUWEPQE-RDJZCZTQSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](C2CCC2)C1 ZINC000665763728 425641456 /nfs/dbraw/zinc/64/14/56/425641456.db2.gz KJTVUPPBUWEPQE-RDJZCZTQSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc2c1CCNC2 ZINC000662788496 425734783 /nfs/dbraw/zinc/73/47/83/425734783.db2.gz KHIRUZAAVCQXOM-AWEZNQCLSA-N 1 3 315.461 2.135 20 0 DEADHO O=C(N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1(NC2CC2)CCC1 ZINC000662805892 425740825 /nfs/dbraw/zinc/74/08/25/425740825.db2.gz OJZWLRRABQOAJF-YOEHRIQHSA-N 1 3 317.477 2.136 20 0 DEADHO O=C(N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1(NC2CC2)CCC1 ZINC000662805892 425740826 /nfs/dbraw/zinc/74/08/26/425740826.db2.gz OJZWLRRABQOAJF-YOEHRIQHSA-N 1 3 317.477 2.136 20 0 DEADHO C[C@H](C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)N1CCCCCC1 ZINC000662598569 425690471 /nfs/dbraw/zinc/69/04/71/425690471.db2.gz WGMZYYJSGMWKLG-AEFFLSMTSA-N 1 3 321.509 2.489 20 0 DEADHO Cc1c(CN)c(NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)nn1C ZINC000662835965 425744262 /nfs/dbraw/zinc/74/42/62/425744262.db2.gz ROOJOQPQBKBPFK-CQSZACIVSA-N 1 3 321.469 2.204 20 0 DEADHO [NH3+][C@H]1C[C@H](C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000662682515 425713016 /nfs/dbraw/zinc/71/30/16/425713016.db2.gz LMBRGWPSMPNTBR-BRWVUGGUSA-N 1 3 301.434 2.067 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000662694468 425714191 /nfs/dbraw/zinc/71/41/91/425714191.db2.gz QVYUVGYMDQNKMK-HOTGVXAUSA-N 1 3 309.498 2.249 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662836090 425744549 /nfs/dbraw/zinc/74/45/49/425744549.db2.gz VNPMIBVMNRHTOS-IXDOHACOSA-N 1 3 307.482 2.417 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662836090 425744552 /nfs/dbraw/zinc/74/45/52/425744552.db2.gz VNPMIBVMNRHTOS-IXDOHACOSA-N 1 3 307.482 2.417 20 0 DEADHO C[C@H]1C[C@H](N(C)C(=O)[C@H]2C[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000662725969 425722795 /nfs/dbraw/zinc/72/27/95/425722795.db2.gz BWQIOTKRPSPAJF-LEUOFYLZSA-N 1 3 315.461 2.235 20 0 DEADHO Cc1cc(NC(=O)CC2([NH3+])CC2)ccc1OCCN1CCCC1 ZINC000662740452 425726477 /nfs/dbraw/zinc/72/64/77/425726477.db2.gz UWPGIEJJTOWBQR-UHFFFAOYSA-N 1 3 317.433 2.290 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c(s2)CCNC3)C[C@@H]1C ZINC000662743623 425726874 /nfs/dbraw/zinc/72/68/74/425726874.db2.gz RIXBEXORPXHWFM-JSGCOSHPSA-N 1 3 321.490 2.339 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc3c(s2)CCNC3)C[C@@H]1C ZINC000662743623 425726878 /nfs/dbraw/zinc/72/68/78/425726878.db2.gz RIXBEXORPXHWFM-JSGCOSHPSA-N 1 3 321.490 2.339 20 0 DEADHO c1c([C@H]2CCC[NH2+]C2)nnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000656455369 425772485 /nfs/dbraw/zinc/77/24/85/425772485.db2.gz FFJDQSHWXLPPOK-DLBZAZTESA-N 1 3 311.433 2.192 20 0 DEADHO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000662872731 425753421 /nfs/dbraw/zinc/75/34/21/425753421.db2.gz PEZZMPCVDYLKIM-IAGOWNOFSA-N 1 3 317.477 2.135 20 0 DEADHO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000662872731 425753422 /nfs/dbraw/zinc/75/34/22/425753422.db2.gz PEZZMPCVDYLKIM-IAGOWNOFSA-N 1 3 317.477 2.135 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCN(C3CCOCC3)C[C@@H]2C)C1 ZINC000660434592 425813019 /nfs/dbraw/zinc/81/30/19/425813019.db2.gz CCNSMXIPOCHQOB-KURKYZTESA-N 1 3 323.525 2.149 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000660450124 425816372 /nfs/dbraw/zinc/81/63/72/425816372.db2.gz CPQOKORCCYIBJV-HOTGVXAUSA-N 1 3 324.513 2.280 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000660450124 425816373 /nfs/dbraw/zinc/81/63/73/425816373.db2.gz CPQOKORCCYIBJV-HOTGVXAUSA-N 1 3 324.513 2.280 20 0 DEADHO Cn1cccc1C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397506081 269106940 /nfs/dbraw/zinc/10/69/40/269106940.db2.gz IZRADDCCHVMOBD-UHFFFAOYSA-N 1 3 313.445 2.142 20 0 DEADHO CC1(C)C[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CO1 ZINC000397558574 269107028 /nfs/dbraw/zinc/10/70/28/269107028.db2.gz RCWWLODNZKEADF-KRWDZBQOSA-N 1 3 318.461 2.171 20 0 DEADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](N)C2CCC2)cc1 ZINC000399078340 269110743 /nfs/dbraw/zinc/11/07/43/269110743.db2.gz QRCVSMBAYHMNFY-KRWDZBQOSA-N 1 3 303.450 2.272 20 0 DEADHO CC(C)COC(=O)N1CCC([NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000495931539 269186405 /nfs/dbraw/zinc/18/64/05/269186405.db2.gz GJPWTAVDZNULSC-HOCLYGCPSA-N 1 3 311.470 2.351 20 0 DEADHO CN(C)C[C@@H]1CC[N@H+](C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)C1 ZINC000495964414 269188722 /nfs/dbraw/zinc/18/87/22/269188722.db2.gz XTBCWBPAPXGMOL-HDMKZQKVSA-N 1 3 323.481 2.127 20 0 DEADHO CN(C)C[C@@H]1CC[N@@H+](C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)C1 ZINC000495964414 269188723 /nfs/dbraw/zinc/18/87/23/269188723.db2.gz XTBCWBPAPXGMOL-HDMKZQKVSA-N 1 3 323.481 2.127 20 0 DEADHO NC(=O)OC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCCC[C@H]1N ZINC000496094245 269199833 /nfs/dbraw/zinc/19/98/33/269199833.db2.gz WITZUPLEGNMYPL-ARFHVFGLSA-N 1 3 305.422 2.357 20 0 DEADHO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](C[C@H]3CCCNC3)C[C@@H]2C1 ZINC000496491573 269223779 /nfs/dbraw/zinc/22/37/79/269223779.db2.gz KQWJJFRJXQEGRS-ARFHVFGLSA-N 1 3 323.481 2.175 20 0 DEADHO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](C[C@H]3CCCNC3)C[C@@H]2C1 ZINC000496491573 269223781 /nfs/dbraw/zinc/22/37/81/269223781.db2.gz KQWJJFRJXQEGRS-ARFHVFGLSA-N 1 3 323.481 2.175 20 0 DEADHO CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@H]3CCC[NH2+]C3)C[C@@H]2C1 ZINC000496491573 269223782 /nfs/dbraw/zinc/22/37/82/269223782.db2.gz KQWJJFRJXQEGRS-ARFHVFGLSA-N 1 3 323.481 2.175 20 0 DEADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2CCCNC(=O)OC(C)(C)C)C1 ZINC000497227892 269295242 /nfs/dbraw/zinc/29/52/42/269295242.db2.gz PMVSXBHHSGBUCX-CABCVRRESA-N 1 3 311.470 2.317 20 0 DEADHO C[N@H+]1CC[C@H]2[C@H](CCCN2CCCNC(=O)OC(C)(C)C)C1 ZINC000497227892 269295243 /nfs/dbraw/zinc/29/52/43/269295243.db2.gz PMVSXBHHSGBUCX-CABCVRRESA-N 1 3 311.470 2.317 20 0 DEADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2CCCNC(=O)OC(C)(C)C)C1 ZINC000497227892 269295244 /nfs/dbraw/zinc/29/52/44/269295244.db2.gz PMVSXBHHSGBUCX-CABCVRRESA-N 1 3 311.470 2.317 20 0 DEADHO CN1CC[C@H]2[C@H](CCC[N@H+]2CCCNC(=O)OC(C)(C)C)C1 ZINC000497227892 269295245 /nfs/dbraw/zinc/29/52/45/269295245.db2.gz PMVSXBHHSGBUCX-CABCVRRESA-N 1 3 311.470 2.317 20 0 DEADHO C[N@@H+]1CC[C@H](N[C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@@H]2CCC[C@H]21 ZINC000497189001 269292146 /nfs/dbraw/zinc/29/21/46/269292146.db2.gz CJUBLEFHLZTRBO-YHUYYLMFSA-N 1 3 323.481 2.458 20 0 DEADHO C[N@H+]1CC[C@H](N[C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@@H]2CCC[C@H]21 ZINC000497189001 269292148 /nfs/dbraw/zinc/29/21/48/269292148.db2.gz CJUBLEFHLZTRBO-YHUYYLMFSA-N 1 3 323.481 2.458 20 0 DEADHO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CNCc2ccccc21 ZINC000514725097 269329359 /nfs/dbraw/zinc/32/93/59/269329359.db2.gz MYCLXHSNDWQVEK-CRAIPNDOSA-N 1 3 313.445 2.007 20 0 DEADHO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CNCc2ccccc21 ZINC000514725097 269329361 /nfs/dbraw/zinc/32/93/61/269329361.db2.gz MYCLXHSNDWQVEK-CRAIPNDOSA-N 1 3 313.445 2.007 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)C3CC3)CC2)CC1 ZINC000514873037 269335509 /nfs/dbraw/zinc/33/55/09/269335509.db2.gz MZPLWVWXBIZQAX-AWEZNQCLSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000515299194 269348267 /nfs/dbraw/zinc/34/82/67/269348267.db2.gz QWETVAFFYXTJGX-HOTGVXAUSA-N 1 3 324.513 2.458 20 0 DEADHO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1)C1=CCN(C)CC1 ZINC000517232100 269380227 /nfs/dbraw/zinc/38/02/27/269380227.db2.gz WAMZNLGCLNLLRD-XJKSGUPXSA-N 1 3 324.852 2.320 20 0 DEADHO CC[C@@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)N(C)C ZINC000177848713 273712719 /nfs/dbraw/zinc/71/27/19/273712719.db2.gz PPNOBXIAUVMSPT-SFHVURJKSA-N 1 3 317.477 2.150 20 0 DEADHO CC[C@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)N(C)C ZINC000177848724 273740142 /nfs/dbraw/zinc/74/01/42/273740142.db2.gz PPNOBXIAUVMSPT-GOSISDBHSA-N 1 3 317.477 2.150 20 0 DEADHO C[NH+](C)C1CCN(CCN[C@H]2CCc3c2cccc3F)CC1 ZINC000268920657 276773099 /nfs/dbraw/zinc/77/30/99/276773099.db2.gz JXYSCCCEHJOYBN-SFHVURJKSA-N 1 3 305.441 2.429 20 0 DEADHO CN1CCC(O)(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000269071822 277032251 /nfs/dbraw/zinc/03/22/51/277032251.db2.gz XGYWZVDYXIXVTC-MRXNPFEDSA-N 1 3 316.445 2.479 20 0 DEADHO CC(C)(C)[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000236695312 277249026 /nfs/dbraw/zinc/24/90/26/277249026.db2.gz ACQYVHJPDKVPPA-GXTWGEPZSA-N 1 3 309.479 2.375 20 0 DEADHO COc1cc(C)c(CN2CCC(OCCC[NH3+])CC2)c(C)n1 ZINC000346686150 277371964 /nfs/dbraw/zinc/37/19/64/277371964.db2.gz SXWWCWVQWJNQDZ-UHFFFAOYSA-N 1 3 307.438 2.037 20 0 DEADHO CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)C1(C)C ZINC000368155223 277692511 /nfs/dbraw/zinc/69/25/11/277692511.db2.gz YKFUUSWKNQWKAX-KBAYOESNSA-N 1 3 323.525 2.337 20 0 DEADHO C[C@H](C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)N1CCCCCC1 ZINC000423958368 278138467 /nfs/dbraw/zinc/13/84/67/278138467.db2.gz BARNWHCSXCKZKC-BRWVUGGUSA-N 1 3 307.482 2.242 20 0 DEADHO CC1(C)CCCN[C@H]1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000423422544 278222658 /nfs/dbraw/zinc/22/26/58/278222658.db2.gz BIKBAJHAEFBTEG-HOTGVXAUSA-N 1 3 307.482 2.099 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000354906737 279263947 /nfs/dbraw/zinc/26/39/47/279263947.db2.gz VLTKIZOTXJOYMG-QGZVFWFLSA-N 1 3 307.482 2.338 20 0 DEADHO CCN1CCO[C@@H](CN[C@@H](C)C[C@H](C)[NH3+])[C@@H]1c1ccccc1 ZINC000423100332 279386826 /nfs/dbraw/zinc/38/68/26/279386826.db2.gz GREFQMRWZQPTCI-LAQRGFTBSA-N 1 3 305.466 2.164 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)N1CCCCC1 ZINC000343630487 279765168 /nfs/dbraw/zinc/76/51/68/279765168.db2.gz UGVVHRKCVIBEDH-WMZOPIPTSA-N 1 3 307.482 2.099 20 0 DEADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000351849588 280097948 /nfs/dbraw/zinc/09/79/48/280097948.db2.gz PGOUUFPTVPDPBT-HUUCEWRRSA-N 1 3 312.502 2.088 20 0 DEADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000351849588 280097949 /nfs/dbraw/zinc/09/79/49/280097949.db2.gz PGOUUFPTVPDPBT-HUUCEWRRSA-N 1 3 312.502 2.088 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000433166264 280236884 /nfs/dbraw/zinc/23/68/84/280236884.db2.gz FOTPJFZZEPWSEQ-IJEWVQPXSA-N 1 3 323.506 2.478 20 0 DEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H](C2CC2)[C@H]2CNCCO2)C1 ZINC000422911638 280278097 /nfs/dbraw/zinc/27/80/97/280278097.db2.gz UBGSOVAFWMPHAC-KBAYOESNSA-N 1 3 323.525 2.244 20 0 DEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@H](C2CC2)[C@H]2CNCCO2)C1 ZINC000422911638 280278098 /nfs/dbraw/zinc/27/80/98/280278098.db2.gz UBGSOVAFWMPHAC-KBAYOESNSA-N 1 3 323.525 2.244 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](C)CN1CCCCC1 ZINC000355479851 281056942 /nfs/dbraw/zinc/05/69/42/281056942.db2.gz KDSXWNNKAFRSHB-SJORKVTESA-N 1 3 324.513 2.425 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@H](C)CN1CCCCC1 ZINC000355479851 281056945 /nfs/dbraw/zinc/05/69/45/281056945.db2.gz KDSXWNNKAFRSHB-SJORKVTESA-N 1 3 324.513 2.425 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC000130710458 281947187 /nfs/dbraw/zinc/94/71/87/281947187.db2.gz GUPVIGRONHYHPK-HOTGVXAUSA-N 1 3 315.461 2.328 20 0 DEADHO C[C@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C)N1[C@H](C)CC[C@@H]1C ZINC000412338493 289298335 /nfs/dbraw/zinc/29/83/35/289298335.db2.gz AQKJYECEXLEONH-ZHCJQAHYSA-N 1 3 307.482 2.333 20 0 DEADHO CN1CCC(C[NH2+][C@H]2CCC23CCCC3)(N2CCOCC2)CC1 ZINC000414204018 289880067 /nfs/dbraw/zinc/88/00/67/289880067.db2.gz VYXXROJYYASIFU-KRWDZBQOSA-N 1 3 321.509 2.095 20 0 DEADHO COC[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000422938370 293162720 /nfs/dbraw/zinc/16/27/20/293162720.db2.gz PMMNARMZUTTWND-RYRKJORJSA-N 1 3 302.418 2.257 20 0 DEADHO N[C@@H](CC1CCCCC1)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000423439257 295293666 /nfs/dbraw/zinc/29/36/66/295293666.db2.gz HVIBJMTZDUPKNA-DLBZAZTESA-N 1 3 307.482 2.275 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@H]3CCCN(c4ccccc4)C3=O)C[C@@H]21 ZINC000342089753 295309704 /nfs/dbraw/zinc/30/97/04/295309704.db2.gz BHRCBGVESXIEJV-SPUZQDLCSA-N 1 3 313.445 2.241 20 0 DEADHO O=C(CC1CC[NH2+]CC1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000238145431 295468238 /nfs/dbraw/zinc/46/82/38/295468238.db2.gz BHSDDASGYSVDIB-GOSISDBHSA-N 1 3 315.461 2.329 20 0 DEADHO C[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000348168739 298083352 /nfs/dbraw/zinc/08/33/52/298083352.db2.gz MWMYRCLAMOZRHT-KYHPRHEASA-N 1 3 321.509 2.438 20 0 DEADHO C[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000348168739 298083356 /nfs/dbraw/zinc/08/33/56/298083356.db2.gz MWMYRCLAMOZRHT-KYHPRHEASA-N 1 3 321.509 2.438 20 0 DEADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NC(C)(C)CC[NH3+])N(C)C ZINC000422623047 302138797 /nfs/dbraw/zinc/13/87/97/302138797.db2.gz UOYUCAKCIGXNJW-GOEBONIOSA-N 1 3 320.481 2.413 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)CN(C)C(C)C)[NH+](C)C ZINC000357851550 302200765 /nfs/dbraw/zinc/20/07/65/302200765.db2.gz ASJKEYFCELPRQW-QAPCUYQASA-N 1 3 305.466 2.443 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H](C)CC[NH3+])N(C)C ZINC000418176450 302205998 /nfs/dbraw/zinc/20/59/98/302205998.db2.gz HAJLBMBVAIPYNQ-YCPHGPKFSA-N 1 3 306.454 2.023 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423017230 302589248 /nfs/dbraw/zinc/58/92/48/302589248.db2.gz OCXOCJSPTFSYLL-WBQNTZJQSA-N 1 3 301.434 2.457 20 0 DEADHO O=C(NCCCCC[NH+]1CCCCC1)NCCN1CCCCC1 ZINC000171896802 325724968 /nfs/dbraw/zinc/72/49/68/325724968.db2.gz SOGJJXKUYSMMIW-UHFFFAOYSA-N 1 3 324.513 2.428 20 0 DEADHO CCc1cccc(OC[C@H](O)C[NH2+][C@H](C)C2=CCN(C)CC2)c1 ZINC000573112078 326025373 /nfs/dbraw/zinc/02/53/73/326025373.db2.gz ILQJSATXAUWLFA-CRAIPNDOSA-N 1 3 318.461 2.229 20 0 DEADHO CCN1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000574171283 326130277 /nfs/dbraw/zinc/13/02/77/326130277.db2.gz WDRLRPNSTPMYGZ-QGZVFWFLSA-N 1 3 303.450 2.005 20 0 DEADHO C[C@H]1CC[NH2+]CC[C@@H]1NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000574391202 326149884 /nfs/dbraw/zinc/14/98/84/326149884.db2.gz PDMKGWULYWLOET-ATGSNQNLSA-N 1 3 320.437 2.145 20 0 DEADHO C[C@H]1CCNCC[C@@H]1[NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000574391202 326149885 /nfs/dbraw/zinc/14/98/85/326149885.db2.gz PDMKGWULYWLOET-ATGSNQNLSA-N 1 3 320.437 2.145 20 0 DEADHO CN(C[C@H](O)CNc1cccc(CC[NH+]2CCCC2)c1)C1CC1 ZINC000574513264 326161291 /nfs/dbraw/zinc/16/12/91/326161291.db2.gz JOOVWHPUQHUKJM-LJQANCHMSA-N 1 3 317.477 2.192 20 0 DEADHO C[C@@H](CCCc1cccnc1)[NH2+]CCCCN1CCN(C)CC1 ZINC000576467556 326295999 /nfs/dbraw/zinc/29/59/99/326295999.db2.gz ICLNUGDDJPTXSE-SFHVURJKSA-N 1 3 318.509 2.410 20 0 DEADHO CCO[C@H]1C[C@H]1NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000576814144 326321094 /nfs/dbraw/zinc/32/10/94/326321094.db2.gz YPCIELQQLSFCHN-MJGOQNOKSA-N 1 3 317.477 2.484 20 0 DEADHO Cc1ccc(NC(=O)CCNC2CC[NH+](C3CCC3)CC2)nc1 ZINC000577099110 326342556 /nfs/dbraw/zinc/34/25/56/326342556.db2.gz WLMKHHLGRJQLOU-UHFFFAOYSA-N 1 3 316.449 2.325 20 0 DEADHO CCc1ccc([C@H](CNC(=O)N[C@H](C)C[C@H](C)[NH3+])N(C)C)cc1 ZINC000577391933 326363460 /nfs/dbraw/zinc/36/34/60/326363460.db2.gz CNFUUHNWZQTSKM-VBQJREDUSA-N 1 3 320.481 2.277 20 0 DEADHO CC[C@](CN[C@@H]1CCC[C@H]([NH3+])C1)(C(=O)OC)c1ccccc1 ZINC000584004593 331560415 /nfs/dbraw/zinc/56/04/15/331560415.db2.gz POLBPJDQJVHXOJ-LZLYRXPVSA-N 1 3 304.434 2.367 20 0 DEADHO COc1ccc([C@H](C)[NH2+]CCCCN2CCN(C)CC2)cc1O ZINC000582456105 337066632 /nfs/dbraw/zinc/06/66/32/337066632.db2.gz BFLFRACSKFVXPD-HNNXBMFYSA-N 1 3 321.465 2.079 20 0 DEADHO C[C@@H](CNC[C@H](O)Cc1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000582481340 337096686 /nfs/dbraw/zinc/09/66/86/337096686.db2.gz SSFANKYOJPDBQH-MAUKXSAKSA-N 1 3 308.441 2.441 20 0 DEADHO C[C@@H](C[NH2+]C[C@H](O)Cc1ccc(F)cc1)CN1CCCCC1 ZINC000582481340 337096687 /nfs/dbraw/zinc/09/66/87/337096687.db2.gz SSFANKYOJPDBQH-MAUKXSAKSA-N 1 3 308.441 2.441 20 0 DEADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](O)COc2cccc(C)c2)C1 ZINC000582959508 337218643 /nfs/dbraw/zinc/21/86/43/337218643.db2.gz CSLDHFGZAWZUFR-DLBZAZTESA-N 1 3 306.450 2.056 20 0 DEADHO N[C@H]1C[C@H]([NH2+]CCc2nnc3n2CCCCC3)c2ccccc21 ZINC000583137837 337243465 /nfs/dbraw/zinc/24/34/65/337243465.db2.gz HMOWRKZKLLGJLN-HOTGVXAUSA-N 1 3 311.433 2.281 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H](NC/C=C\Cl)C1)[NH+]1CCCC1 ZINC001376353222 1159354534 /nfs/dbraw/zinc/35/45/34/1159354534.db2.gz PWHKHCIGVCSJTI-UWERJEOXSA-N 1 3 313.873 2.050 20 0 DEADHO Cc1cc(F)ccc1C[N@@H+](C)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001378240395 1152244185 /nfs/dbraw/zinc/24/41/85/1152244185.db2.gz UUBKDSSNKCSGPG-OAHLLOKOSA-N 1 3 323.456 2.411 20 0 DEADHO Cc1cc(F)ccc1C[N@H+](C)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001378240395 1152244192 /nfs/dbraw/zinc/24/41/92/1152244192.db2.gz UUBKDSSNKCSGPG-OAHLLOKOSA-N 1 3 323.456 2.411 20 0 DEADHO Cc1cccc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2C)c1 ZINC001089037379 782128619 /nfs/dbraw/zinc/12/86/19/782128619.db2.gz BYAOHNHJNQRRRD-NXHRZFHOSA-N 1 3 315.461 2.026 20 0 DEADHO Cc1cccc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C)c1 ZINC001089037379 782128626 /nfs/dbraw/zinc/12/86/26/782128626.db2.gz BYAOHNHJNQRRRD-NXHRZFHOSA-N 1 3 315.461 2.026 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001377703520 1160753389 /nfs/dbraw/zinc/75/33/89/1160753389.db2.gz BYLHKBXLLZNRRB-MRXNPFEDSA-N 1 3 311.514 2.449 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001377703520 1160753402 /nfs/dbraw/zinc/75/34/02/1160753402.db2.gz BYLHKBXLLZNRRB-MRXNPFEDSA-N 1 3 311.514 2.449 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[N@H+](C)CC1CC(C)(C)C1 ZINC001378136534 1161047221 /nfs/dbraw/zinc/04/72/21/1161047221.db2.gz FHZLLKXTCBPUBN-GJZGRUSLSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[N@@H+](C)CC1CC(C)(C)C1 ZINC001378136534 1161047231 /nfs/dbraw/zinc/04/72/31/1161047231.db2.gz FHZLLKXTCBPUBN-GJZGRUSLSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[N@@H+](C)[C@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001378146959 1161056125 /nfs/dbraw/zinc/05/61/25/1161056125.db2.gz SFOCITAFMUOBJN-CJNGLKHVSA-N 1 3 301.450 2.044 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]Cc1ccc(F)cc1 ZINC001378612705 1152394464 /nfs/dbraw/zinc/39/44/64/1152394464.db2.gz XREUOKXABXSTPI-CABCVRRESA-N 1 3 321.440 2.009 20 0 DEADHO C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418205844 533729762 /nfs/dbraw/zinc/72/97/62/533729762.db2.gz NPNIGFLCRCEIAL-GUYCJALGSA-N 1 3 314.433 2.089 20 0 DEADHO C[C@@H](CN(C)C)NC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418205844 533729766 /nfs/dbraw/zinc/72/97/66/533729766.db2.gz NPNIGFLCRCEIAL-GUYCJALGSA-N 1 3 314.433 2.089 20 0 DEADHO C[C@H](NC1CC1)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000296017654 533800683 /nfs/dbraw/zinc/80/06/83/533800683.db2.gz MBTHKKKQAPJVMU-ZDUSSCGKSA-N 1 3 314.433 2.282 20 0 DEADHO C[C@H](CCCC[NH3+])NCC(=O)Nc1ccc(F)c(F)c1F ZINC000422930512 533844409 /nfs/dbraw/zinc/84/44/09/533844409.db2.gz USFVTHQDFMGOFK-SECBINFHSA-N 1 3 303.328 2.150 20 0 DEADHO COc1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)ccc1C ZINC000441377279 533875843 /nfs/dbraw/zinc/87/58/43/533875843.db2.gz GDZPASCLOKBCKF-UHFFFAOYSA-N 1 3 305.466 2.119 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)[C@@H](C)O1 ZINC000295642207 533958231 /nfs/dbraw/zinc/95/82/31/533958231.db2.gz IHHADDKHYVQMEI-CLCXKQKWSA-N 1 3 318.461 2.299 20 0 DEADHO COc1ccccc1C1(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])CC1 ZINC000422847354 534000799 /nfs/dbraw/zinc/00/07/99/534000799.db2.gz RGWZUGDDKYRBCJ-OFQRWUPVSA-N 1 3 304.434 2.069 20 0 DEADHO COc1ccccc1C1(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)N)CC1 ZINC000422847354 534000803 /nfs/dbraw/zinc/00/08/03/534000803.db2.gz RGWZUGDDKYRBCJ-OFQRWUPVSA-N 1 3 304.434 2.069 20 0 DEADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H]1NCCc2ccccc21 ZINC000423414174 534178357 /nfs/dbraw/zinc/17/83/57/534178357.db2.gz BTXGWIQZXMKDJD-BEVDRBHNSA-N 1 3 309.457 2.422 20 0 DEADHO C[C@@H](Cc1ccc(F)cc1Cl)NC[C@H](O)C[NH+]1CCCC1 ZINC000421824567 534233187 /nfs/dbraw/zinc/23/31/87/534233187.db2.gz JJBCQNCSUQMQMQ-WFASDCNBSA-N 1 3 314.832 2.456 20 0 DEADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000422770819 534389984 /nfs/dbraw/zinc/38/99/84/534389984.db2.gz WSNRTOVJLFMNAE-WJFTUGDTSA-N 1 3 302.462 2.348 20 0 DEADHO CC(C)N(C[C@H](O)COc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000339408883 519653495 /nfs/dbraw/zinc/65/34/95/519653495.db2.gz FTDPLIHEUNWBGG-IRXDYDNUSA-N 1 3 306.450 2.136 20 0 DEADHO CC(C)[N@H+](C[C@H](O)COc1ccccc1)C[C@H]1CCCNC1 ZINC000339408883 519653498 /nfs/dbraw/zinc/65/34/98/519653498.db2.gz FTDPLIHEUNWBGG-IRXDYDNUSA-N 1 3 306.450 2.136 20 0 DEADHO CC(C)[N@@H+](C[C@H](O)COc1ccccc1)C[C@H]1CCCNC1 ZINC000339408883 519653501 /nfs/dbraw/zinc/65/35/01/519653501.db2.gz FTDPLIHEUNWBGG-IRXDYDNUSA-N 1 3 306.450 2.136 20 0 DEADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000339950222 520718081 /nfs/dbraw/zinc/71/80/81/520718081.db2.gz YYBCDPIKQSDXMD-NVXWUHKLSA-N 1 3 320.481 2.319 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001401986170 1162207539 /nfs/dbraw/zinc/20/75/39/1162207539.db2.gz MSUKPDGATWAZEE-OAGGEKHMSA-N 1 3 307.482 2.001 20 0 DEADHO CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CCCN2C)cc1)C1CC1 ZINC000338075683 521303130 /nfs/dbraw/zinc/30/31/30/521303130.db2.gz GYMVYZHFPVEAEB-GOSISDBHSA-N 1 3 315.461 2.495 20 0 DEADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CCCN2C)cc1)C1CC1 ZINC000338075683 521303136 /nfs/dbraw/zinc/30/31/36/521303136.db2.gz GYMVYZHFPVEAEB-GOSISDBHSA-N 1 3 315.461 2.495 20 0 DEADHO [NH3+]C1CCC(NCc2cn3cc(Br)ccc3n2)CC1 ZINC000422733487 534561812 /nfs/dbraw/zinc/56/18/12/534561812.db2.gz QVHWOUXPTASPJE-UHFFFAOYSA-N 1 3 323.238 2.456 20 0 DEADHO CC[NH+]1CCC(NC(=O)N2CCN(CCC(C)(C)C)CC2)CC1 ZINC000339522745 521572276 /nfs/dbraw/zinc/57/22/76/521572276.db2.gz ATXSVMBZQYJXLO-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO CCN1CCN(CCCC[NH2+][C@H](C)c2cnc(C)nc2C)CC1 ZINC000154477961 521680154 /nfs/dbraw/zinc/68/01/54/521680154.db2.gz PBSKSXBEJMYVGX-OAHLLOKOSA-N 1 3 319.497 2.162 20 0 DEADHO CN(C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H]1C1CC1)c1ccccc1 ZINC000364278658 522012814 /nfs/dbraw/zinc/01/28/14/522012814.db2.gz JVGNBTLDWOIPII-ROUUACIJSA-N 1 3 315.461 2.280 20 0 DEADHO CN(C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H]1C1CC1)c1ccccc1 ZINC000364278658 522012823 /nfs/dbraw/zinc/01/28/23/522012823.db2.gz JVGNBTLDWOIPII-ROUUACIJSA-N 1 3 315.461 2.280 20 0 DEADHO C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCN(C2CC2)C1)C1CCCCC1 ZINC000339445873 522020382 /nfs/dbraw/zinc/02/03/82/522020382.db2.gz SMZABLUKPZVBJF-RDJZCZTQSA-N 1 3 322.497 2.033 20 0 DEADHO C[NH+](C)[C@H](CNC(=O)CN1CCC2(CCC2)C1)c1ccccc1 ZINC000158900747 522072328 /nfs/dbraw/zinc/07/23/28/522072328.db2.gz HOEWCNOBYMBKLP-QGZVFWFLSA-N 1 3 315.461 2.282 20 0 DEADHO CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001402083364 1162239779 /nfs/dbraw/zinc/23/97/79/1162239779.db2.gz SOEJIPHCYTYAPO-CABCVRRESA-N 1 3 301.450 2.047 20 0 DEADHO CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001402083364 1162239783 /nfs/dbraw/zinc/23/97/83/1162239783.db2.gz SOEJIPHCYTYAPO-CABCVRRESA-N 1 3 301.450 2.047 20 0 DEADHO Cc1cccc(C)c1OCCC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N ZINC000422949141 534680864 /nfs/dbraw/zinc/68/08/64/534680864.db2.gz SXPMVNGEAHTRFF-IXDOHACOSA-N 1 3 306.450 2.414 20 0 DEADHO Cc1cccc(C)c1OCCCN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000422949141 534680868 /nfs/dbraw/zinc/68/08/68/534680868.db2.gz SXPMVNGEAHTRFF-IXDOHACOSA-N 1 3 306.450 2.414 20 0 DEADHO COCCC[NH+]1CCC(N[C@H](COC)Cc2ccccc2)CC1 ZINC000159138173 523302000 /nfs/dbraw/zinc/30/20/00/523302000.db2.gz PAXKDHIRHCWLDY-IBGZPJMESA-N 1 3 320.477 2.335 20 0 DEADHO N[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl ZINC000422907107 534711697 /nfs/dbraw/zinc/71/16/97/534711697.db2.gz WOLQKQMZXHEFFV-WCQGTBRESA-N 1 3 319.232 2.203 20 0 DEADHO CCn1nc(C)c(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000105424507 523644817 /nfs/dbraw/zinc/64/48/17/523644817.db2.gz VOQBYFMVJRCPFI-GASCZTMLSA-N 1 3 322.497 2.499 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000154397375 523822522 /nfs/dbraw/zinc/82/25/22/523822522.db2.gz DQTFGROHWXFQJH-LSDHHAIUSA-N 1 3 303.454 2.346 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000154397375 523822529 /nfs/dbraw/zinc/82/25/29/523822529.db2.gz DQTFGROHWXFQJH-LSDHHAIUSA-N 1 3 303.454 2.346 20 0 DEADHO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000249031797 524849636 /nfs/dbraw/zinc/84/96/36/524849636.db2.gz MAJCKSNTZJCXGD-YQQAZPJKSA-N 1 3 303.450 2.141 20 0 DEADHO Cc1ccccc1CN1CCC(NC(=O)/C=C/C[NH+](C)C)CC1 ZINC000364805525 525137018 /nfs/dbraw/zinc/13/70/18/525137018.db2.gz PMXUQPRQZMHGLI-RMKNXTFCSA-N 1 3 315.461 2.193 20 0 DEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)/C=C/CN(C)C)CC1 ZINC000364805525 525137027 /nfs/dbraw/zinc/13/70/27/525137027.db2.gz PMXUQPRQZMHGLI-RMKNXTFCSA-N 1 3 315.461 2.193 20 0 DEADHO COc1cccc(CN(C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000126455232 525912472 /nfs/dbraw/zinc/91/24/72/525912472.db2.gz JLCSGRUWJGCKRP-UHFFFAOYSA-N 1 3 305.466 2.153 20 0 DEADHO CC(=O)Nc1cccc(OCCN[C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422938317 527075617 /nfs/dbraw/zinc/07/56/17/527075617.db2.gz DPCQFYVYQZRNOX-DYVFJYSZSA-N 1 3 305.422 2.002 20 0 DEADHO CC(C)(C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)[C@@H](N)c1ccccc1 ZINC000331369586 527507518 /nfs/dbraw/zinc/50/75/18/527507518.db2.gz BEQCZBKQOXWERJ-QFBILLFUSA-N 1 3 315.461 2.315 20 0 DEADHO CCO[C@@H]1C[C@H](N[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C12CCC2 ZINC000422783661 527950543 /nfs/dbraw/zinc/95/05/43/527950543.db2.gz OPRVXVFQMPIHFL-ZOFXXKQRSA-N 1 3 308.466 2.081 20 0 DEADHO CC1CCC(N2CCN(C(=O)NCCC[NH2+]C3CC3)CC2)CC1 ZINC000418286498 528194052 /nfs/dbraw/zinc/19/40/52/528194052.db2.gz HWDPJNFLENGMHU-UHFFFAOYSA-N 1 3 322.497 2.034 20 0 DEADHO CCN(CC)[C@H](CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+])c1ccccc1 ZINC000422730232 528280218 /nfs/dbraw/zinc/28/02/18/528280218.db2.gz JKYXRLSDMIJZEY-GDAAHCPNSA-N 1 3 319.493 2.411 20 0 DEADHO CCCCN(C)CCNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000417612966 528343835 /nfs/dbraw/zinc/34/38/35/528343835.db2.gz SBQLDMHMLQTWBV-SJORKVTESA-N 1 3 324.513 2.282 20 0 DEADHO CC(C)C[C@H](C[NH3+])NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000417982745 528514086 /nfs/dbraw/zinc/51/40/86/528514086.db2.gz NMPCOKHFZZGNHL-NVXWUHKLSA-N 1 3 320.481 2.180 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418389647 528779299 /nfs/dbraw/zinc/77/92/99/528779299.db2.gz WOJXPAQISABHNF-KRWDZBQOSA-N 1 3 318.465 2.032 20 0 DEADHO CCC(CC)[C@@H](C[NH2+][C@H](C)[C@@H]1CCCCN1)N1CCOCC1 ZINC000422817789 528822724 /nfs/dbraw/zinc/82/27/24/528822724.db2.gz INYKXZSWNCIOCR-BPQIPLTHSA-N 1 3 311.514 2.244 20 0 DEADHO CC(C)[NH+](CCN(C)C(=O)NC[C@H](N)c1ccccc1)C(C)C ZINC000418424967 528888112 /nfs/dbraw/zinc/88/81/12/528888112.db2.gz HJRJKAIMZXPFJP-KRWDZBQOSA-N 1 3 320.481 2.447 20 0 DEADHO CCN1CCN(Cc2ccc(N[C@@H]3CCC[C@H]3C[NH3+])cc2)CC1 ZINC000422924223 529149461 /nfs/dbraw/zinc/14/94/61/529149461.db2.gz TUXRVZWVKXRJFF-PKOBYXMFSA-N 1 3 316.493 2.363 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)N1CC[C@@](C)(C[NH3+])C1)c1ccco1 ZINC000418169451 529182063 /nfs/dbraw/zinc/18/20/63/529182063.db2.gz PWYSVQASQAZBJA-ZQIUZPCESA-N 1 3 322.453 2.089 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1)c1ccco1 ZINC000418166053 529182987 /nfs/dbraw/zinc/18/29/87/529182987.db2.gz KHACGHZHOKBFGH-BYNSBNAKSA-N 1 3 322.453 2.135 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000417708418 529272206 /nfs/dbraw/zinc/27/22/06/529272206.db2.gz VUEUQOAQXIVJQG-HZPDHXFCSA-N 1 3 310.486 2.021 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000417709921 529272276 /nfs/dbraw/zinc/27/22/76/529272276.db2.gz WXIPPBKZQLCBNJ-BZUAXINKSA-N 1 3 310.486 2.020 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)Cc2cnccn2)[C@@H](C)C1 ZINC000360856069 535526594 /nfs/dbraw/zinc/52/65/94/535526594.db2.gz GFTVYHWDDIADOO-JZXOWHBKSA-N 1 3 320.481 2.134 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)Cc2cnccn2)[C@@H](C)C1 ZINC000360856069 535526598 /nfs/dbraw/zinc/52/65/98/535526598.db2.gz GFTVYHWDDIADOO-JZXOWHBKSA-N 1 3 320.481 2.134 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000368402995 535995482 /nfs/dbraw/zinc/99/54/82/535995482.db2.gz POGBECSCOFAMED-SFHVURJKSA-N 1 3 315.461 2.352 20 0 DEADHO CC[C@H](C)CCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000377131037 536119844 /nfs/dbraw/zinc/11/98/44/536119844.db2.gz UBQCIVLHMOANHU-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCN1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000193500151 536370407 /nfs/dbraw/zinc/37/04/07/536370407.db2.gz YJZLDVMPCHWCEG-OWCLPIDISA-N 1 3 323.481 2.269 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCN1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000193500151 536370409 /nfs/dbraw/zinc/37/04/09/536370409.db2.gz YJZLDVMPCHWCEG-OWCLPIDISA-N 1 3 323.481 2.269 20 0 DEADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000449063907 536408367 /nfs/dbraw/zinc/40/83/67/536408367.db2.gz RUHGGOKRFXTMJE-DLBZAZTESA-N 1 3 319.493 2.300 20 0 DEADHO CO[C@@H]1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000353845826 536688100 /nfs/dbraw/zinc/68/81/00/536688100.db2.gz NVCHJXSLTMDPGR-GOSISDBHSA-N 1 3 317.477 2.438 20 0 DEADHO COCCOc1cccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000346835559 536709418 /nfs/dbraw/zinc/70/94/18/536709418.db2.gz TYGZGSQWMVNOBS-CGTJXYLNSA-N 1 3 304.434 2.271 20 0 DEADHO COc1cc(OC)c(OC)cc1CN1CCC([C@@H](C)[NH3+])CC1 ZINC000261839936 536866232 /nfs/dbraw/zinc/86/62/32/536866232.db2.gz CLIRYELIOFBSSC-GFCCVEGCSA-N 1 3 308.422 2.272 20 0 DEADHO COc1cccc2c(CNC[C@@]3(O)CC[N@H+](C)C3)cccc12 ZINC000449245031 536933407 /nfs/dbraw/zinc/93/34/07/536933407.db2.gz XWDBQZDZDUJTTG-SFHVURJKSA-N 1 3 300.402 2.005 20 0 DEADHO COc1cccc2c(CNC[C@@]3(O)CC[N@@H+](C)C3)cccc12 ZINC000449245031 536933415 /nfs/dbraw/zinc/93/34/15/536933415.db2.gz XWDBQZDZDUJTTG-SFHVURJKSA-N 1 3 300.402 2.005 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CN(C)C2CCC2)cc1 ZINC001379146724 1152581415 /nfs/dbraw/zinc/58/14/15/1152581415.db2.gz MAUAZDREGPIFOT-MRXNPFEDSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1ccc(F)cc1C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCN1C ZINC001379201562 1152590070 /nfs/dbraw/zinc/59/00/70/1152590070.db2.gz XFOLINFPKOTUHJ-RHSMWYFYSA-N 1 3 321.440 2.165 20 0 DEADHO Cc1cccc(Cl)c1CNC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379460243 1152627826 /nfs/dbraw/zinc/62/78/26/1152627826.db2.gz LXUYQKRYVOWGPV-ZIAGYGMSSA-N 1 3 323.868 2.194 20 0 DEADHO Cc1cccc(Cl)c1CNC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379460243 1152627827 /nfs/dbraw/zinc/62/78/27/1152627827.db2.gz LXUYQKRYVOWGPV-ZIAGYGMSSA-N 1 3 323.868 2.194 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1)N(C)C ZINC001379555193 1152641905 /nfs/dbraw/zinc/64/19/05/1152641905.db2.gz ZSKUEMIRBRCBSP-XEZPLFJOSA-N 1 3 309.429 2.321 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC3CCC3)[C@H]2C1 ZINC001379629093 1152658229 /nfs/dbraw/zinc/65/82/29/1152658229.db2.gz SHWYVFSVLREPHZ-BZSNNMDCSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001008166229 625367300 /nfs/dbraw/zinc/36/73/00/625367300.db2.gz ZELURJKQWQBLGL-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001008166229 625367304 /nfs/dbraw/zinc/36/73/04/625367304.db2.gz ZELURJKQWQBLGL-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO c1ccc(N2CC[C@H](N[C@H]3CC[NH2+]C[C@H]3C3CCCC3)C2)nc1 ZINC000925607135 625443638 /nfs/dbraw/zinc/44/36/38/625443638.db2.gz ODFYMMZHRGMYJQ-BZSNNMDCSA-N 1 3 314.477 2.418 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NC1CCC([NH2+]CC2CCC2)CC1 ZINC001026560686 625522811 /nfs/dbraw/zinc/52/28/11/625522811.db2.gz BNFGACCZLLXGCF-ODIFPOPNSA-N 1 3 307.482 2.288 20 0 DEADHO C[NH+](C)CCCCNCc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC000892740756 625536166 /nfs/dbraw/zinc/53/61/66/625536166.db2.gz NZCWGSDBMADTSV-UHFFFAOYSA-N 1 3 323.441 2.255 20 0 DEADHO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)c1ccccc1 ZINC000969588740 622831753 /nfs/dbraw/zinc/83/17/53/622831753.db2.gz RTRPVIGIXQBJDX-KZNAEPCWSA-N 1 3 315.461 2.422 20 0 DEADHO CC(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC000969655643 622869169 /nfs/dbraw/zinc/86/91/69/622869169.db2.gz ZIBUDLMBEXCNSY-NVXWUHKLSA-N 1 3 309.498 2.342 20 0 DEADHO CCN1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000969680433 622879839 /nfs/dbraw/zinc/87/98/39/622879839.db2.gz LSKHICXBPSRYOD-HUUCEWRRSA-N 1 3 307.482 2.097 20 0 DEADHO CCN1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000969680433 622879843 /nfs/dbraw/zinc/87/98/43/622879843.db2.gz LSKHICXBPSRYOD-HUUCEWRRSA-N 1 3 307.482 2.097 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCC(C)C)C1 ZINC000969792434 622922944 /nfs/dbraw/zinc/92/29/44/622922944.db2.gz JEXYPCVHZUEMBY-NVXWUHKLSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001020588529 622927070 /nfs/dbraw/zinc/92/70/70/622927070.db2.gz DTHMZMUGBVZHCS-ZTFGCOKTSA-N 1 3 315.461 2.074 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC000969955671 623021606 /nfs/dbraw/zinc/02/16/06/623021606.db2.gz RGPHLESRBIAMPI-SJLPKXTDSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC000969955995 623021707 /nfs/dbraw/zinc/02/17/07/623021707.db2.gz TWNIXAKZXRITMR-NVXWUHKLSA-N 1 3 305.466 2.019 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC000969955992 623022259 /nfs/dbraw/zinc/02/22/59/623022259.db2.gz TWNIXAKZXRITMR-DOTOQJQBSA-N 1 3 305.466 2.019 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000970104107 623123381 /nfs/dbraw/zinc/12/33/81/623123381.db2.gz AFPCFEWRKRNVSY-CRAIPNDOSA-N 1 3 324.428 2.220 20 0 DEADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccncc1CO ZINC000892820661 625635018 /nfs/dbraw/zinc/63/50/18/625635018.db2.gz RDTARLJMQODUEU-YJBOKZPZSA-N 1 3 311.429 2.318 20 0 DEADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccncc1CO ZINC000892820661 625635020 /nfs/dbraw/zinc/63/50/20/625635020.db2.gz RDTARLJMQODUEU-YJBOKZPZSA-N 1 3 311.429 2.318 20 0 DEADHO C[C@H]1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCC2CC2)C1 ZINC001021380448 623577412 /nfs/dbraw/zinc/57/74/12/623577412.db2.gz GVSAFXMUTCLKIX-MIGBEJBISA-N 1 3 319.493 2.240 20 0 DEADHO C[C@H]1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC2CC2)C1 ZINC001021380448 623577418 /nfs/dbraw/zinc/57/74/18/623577418.db2.gz GVSAFXMUTCLKIX-MIGBEJBISA-N 1 3 319.493 2.240 20 0 DEADHO CN(CC(=O)N1CCC[C@H]2C[N@H+](CC3CC3)CC[C@@H]21)C1CCC1 ZINC001021605821 623823354 /nfs/dbraw/zinc/82/33/54/623823354.db2.gz NSALEXTTWKVJEH-WMZOPIPTSA-N 1 3 319.493 2.194 20 0 DEADHO CN(CC(=O)N1CCC[C@H]2C[N@@H+](CC3CC3)CC[C@@H]21)C1CCC1 ZINC001021605821 623823360 /nfs/dbraw/zinc/82/33/60/623823360.db2.gz NSALEXTTWKVJEH-WMZOPIPTSA-N 1 3 319.493 2.194 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCC2)C1 ZINC001024278137 625685890 /nfs/dbraw/zinc/68/58/90/625685890.db2.gz DLPVAUUFFNDGLZ-QZTJIDSGSA-N 1 3 321.509 2.489 20 0 DEADHO Cc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC001026726142 625686824 /nfs/dbraw/zinc/68/68/24/625686824.db2.gz RCTUTTCODRVZNK-ZWKOTPCHSA-N 1 3 315.461 2.027 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC2CCCCC2)C1 ZINC000971200819 624068497 /nfs/dbraw/zinc/06/84/97/624068497.db2.gz JHOLLQBCSVIQDP-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC2CCCCC2)C1 ZINC000971200819 624068499 /nfs/dbraw/zinc/06/84/99/624068499.db2.gz JHOLLQBCSVIQDP-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]([NH2+]CC2CC(C)C2)C1 ZINC001022069394 624190991 /nfs/dbraw/zinc/19/09/91/624190991.db2.gz JTASNGAXZPTOCK-GADNRMJZSA-N 1 3 307.482 2.142 20 0 DEADHO CC[NH+](CC)CC1CCN(Cc2c3c(nn2C)CCC3)CC1 ZINC000891610739 624492143 /nfs/dbraw/zinc/49/21/43/624492143.db2.gz CVBVEBOJZHXRBT-UHFFFAOYSA-N 1 3 304.482 2.463 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)C1CC1 ZINC000971685490 624505691 /nfs/dbraw/zinc/50/56/91/624505691.db2.gz NGKGPRZDESUNHH-ZWKOTPCHSA-N 1 3 315.461 2.060 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)C1CC1 ZINC000971685490 624505695 /nfs/dbraw/zinc/50/56/95/624505695.db2.gz NGKGPRZDESUNHH-ZWKOTPCHSA-N 1 3 315.461 2.060 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2C)C1)N(C)C ZINC000971780269 624544583 /nfs/dbraw/zinc/54/45/83/624544583.db2.gz WRVGNOMQRKVRPD-ZWKOTPCHSA-N 1 3 317.477 2.368 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2C)C1)N(C)C ZINC000971780269 624544584 /nfs/dbraw/zinc/54/45/84/624544584.db2.gz WRVGNOMQRKVRPD-ZWKOTPCHSA-N 1 3 317.477 2.368 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC2CC3(CCC3)C2)C1)N(C)C ZINC000971779517 624546071 /nfs/dbraw/zinc/54/60/71/624546071.db2.gz SORXITWSELURRU-IAGOWNOFSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2CC3(CCC3)C2)C1)N(C)C ZINC000971779517 624546073 /nfs/dbraw/zinc/54/60/73/624546073.db2.gz SORXITWSELURRU-IAGOWNOFSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H](NC(=O)N1CCCC[C@H]1C[NH3+])[C@@H](c1ccccc1)N(C)C ZINC000891895018 624649633 /nfs/dbraw/zinc/64/96/33/624649633.db2.gz ZTNSKYZRGFZCCM-PVAVHDDUSA-N 1 3 318.465 2.201 20 0 DEADHO C[N@H+](CC1CCCC1)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972339089 624934018 /nfs/dbraw/zinc/93/40/18/624934018.db2.gz KVETYEMGOTYSBQ-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO C[N@@H+](CC1CCCC1)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972339089 624934020 /nfs/dbraw/zinc/93/40/20/624934020.db2.gz KVETYEMGOTYSBQ-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO Nc1cc(NCC2([NH+]3CCCC3)CCOCC2)c(Cl)cn1 ZINC000892338664 625162851 /nfs/dbraw/zinc/16/28/51/625162851.db2.gz ASTWWOPTVKZOES-UHFFFAOYSA-N 1 3 310.829 2.374 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001007326717 625219163 /nfs/dbraw/zinc/21/91/63/625219163.db2.gz IUGRNLSCGJYAQD-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001007326717 625219165 /nfs/dbraw/zinc/21/91/65/625219165.db2.gz IUGRNLSCGJYAQD-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CCC4CC4)[C@@H]3C2)CCC1 ZINC001026282358 625257670 /nfs/dbraw/zinc/25/76/70/625257670.db2.gz RVWBMAMHJCUVBY-BBWFWOEESA-N 1 3 319.493 2.097 20 0 DEADHO CN(CC(=O)N1C[C@@H]2CC[C@H]([NH2+]CC3CCC3)[C@@H]2C1)C1CCC1 ZINC001026285203 625262109 /nfs/dbraw/zinc/26/21/09/625262109.db2.gz YCKFJHVZRBAKFE-JQHSSLGASA-N 1 3 319.493 2.097 20 0 DEADHO COC(=O)c1c[nH]c(C[NH2+]C[C@H]2CCCN(C)C2)c1C1CC1 ZINC000892946516 625759444 /nfs/dbraw/zinc/75/94/44/625759444.db2.gz FFNOOOUWFWEGRF-GFCCVEGCSA-N 1 3 305.422 2.110 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+]CC3CC(C)(C)C3)C2)CCC1 ZINC000999355715 634565309 /nfs/dbraw/zinc/56/53/09/634565309.db2.gz WAYPHLSLFDWBIH-INIZCTEOSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2)C1)C1CC1 ZINC000999374968 634572353 /nfs/dbraw/zinc/57/23/53/634572353.db2.gz SPEOQCCXTFWAKD-ZWKOTPCHSA-N 1 3 315.461 2.107 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CC2CCCC2)C1)C1CC1 ZINC000999372218 634578382 /nfs/dbraw/zinc/57/83/82/634578382.db2.gz OPCGLCGQKAOKHI-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C)cc2)C1)N(C)C ZINC000999497924 634609861 /nfs/dbraw/zinc/60/98/61/634609861.db2.gz SQKCOVUJAUWIHS-QZTJIDSGSA-N 1 3 317.477 2.416 20 0 DEADHO CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC000979708970 634745894 /nfs/dbraw/zinc/74/58/94/634745894.db2.gz GBLMABBPTKTZGU-YESZJQIVSA-N 1 3 321.509 2.488 20 0 DEADHO CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC000979708970 634745897 /nfs/dbraw/zinc/74/58/97/634745897.db2.gz GBLMABBPTKTZGU-YESZJQIVSA-N 1 3 321.509 2.488 20 0 DEADHO CCC[NH2+][C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001000210094 634794704 /nfs/dbraw/zinc/79/47/04/634794704.db2.gz QNLPVYLTOOPNLB-YOEHRIQHSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)(C(=O)N1C[C@H]([NH2+]CC2CC2)C(C)(C)C1)N1CCCCC1 ZINC000995824055 633123238 /nfs/dbraw/zinc/12/32/38/633123238.db2.gz PRDWDKMSRUWWKQ-INIZCTEOSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](C)C[N@@H+]1C[C@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC000974768319 633293812 /nfs/dbraw/zinc/29/38/12/633293812.db2.gz UGGTZHHGUSTVAM-HOTGVXAUSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](C)C[N@H+]1C[C@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC000974768319 633293818 /nfs/dbraw/zinc/29/38/18/633293818.db2.gz UGGTZHHGUSTVAM-HOTGVXAUSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1cccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001027217195 633500154 /nfs/dbraw/zinc/50/01/54/633500154.db2.gz HDUSKISZONFGOZ-GOSISDBHSA-N 1 3 315.461 2.029 20 0 DEADHO CCC[NH2+]C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000997007807 633560498 /nfs/dbraw/zinc/56/04/98/633560498.db2.gz QKNFDIOGFCVWFW-KRWDZBQOSA-N 1 3 313.461 2.190 20 0 DEADHO CC[C@@H](C(=O)N1CCC([NH2+]CCc2ccccc2)CC1)N(C)C ZINC000997011569 633561532 /nfs/dbraw/zinc/56/15/32/633561532.db2.gz ZZVXZGDEKYZJPL-SFHVURJKSA-N 1 3 317.477 2.150 20 0 DEADHO CCC[NH2+]C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000997356868 633712527 /nfs/dbraw/zinc/71/25/27/633712527.db2.gz PEQPLNZHRJBAIK-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@H]([N@H+](C)CCC3CC3)C2)CCC1 ZINC001027439483 633787467 /nfs/dbraw/zinc/78/74/67/633787467.db2.gz LRSGSWVATLIVRO-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@H]([N@@H+](C)CCC3CC3)C2)CCC1 ZINC001027439483 633787470 /nfs/dbraw/zinc/78/74/70/633787470.db2.gz LRSGSWVATLIVRO-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO C[NH+](C)CCOc1ccccc1CNCc1cc[nH]c(=O)c1 ZINC000921621811 633803219 /nfs/dbraw/zinc/80/32/19/633803219.db2.gz ADCXARYCFQOQGP-UHFFFAOYSA-N 1 3 301.390 2.017 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([N@H+](C)CCC2CC2)C1 ZINC001027576134 634182504 /nfs/dbraw/zinc/18/25/04/634182504.db2.gz KTTNQUCZDQUCHY-WBVHZDCISA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([N@@H+](C)CCC2CC2)C1 ZINC001027576134 634182506 /nfs/dbraw/zinc/18/25/06/634182506.db2.gz KTTNQUCZDQUCHY-WBVHZDCISA-N 1 3 307.482 2.194 20 0 DEADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]CC2CCCCC2)C1 ZINC000998534688 634317372 /nfs/dbraw/zinc/31/73/72/634317372.db2.gz GSPKBAMATRYRKT-JCYILVPMSA-N 1 3 307.482 2.240 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCC2CC2)C1 ZINC000980486585 635018097 /nfs/dbraw/zinc/01/80/97/635018097.db2.gz USHPTIAMLAPZGE-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCC2CC2)C1 ZINC000980486585 635018100 /nfs/dbraw/zinc/01/81/00/635018100.db2.gz USHPTIAMLAPZGE-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]([NH2+][C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001000311571 635142253 /nfs/dbraw/zinc/14/22/53/635142253.db2.gz JLTBOIOKUXRLCR-HOCLYGCPSA-N 1 3 312.417 2.294 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC(C)C ZINC001027985322 635168060 /nfs/dbraw/zinc/16/80/60/635168060.db2.gz GRNNYIONWOVVFF-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(C)C ZINC001027985322 635168062 /nfs/dbraw/zinc/16/80/62/635168062.db2.gz GRNNYIONWOVVFF-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)=CCN1CC=C(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001000708581 635282835 /nfs/dbraw/zinc/28/28/35/635282835.db2.gz OUBNHHDPSJPEGY-SFHVURJKSA-N 1 3 317.477 2.043 20 0 DEADHO CS(=O)(=O)C1CCC(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000925803245 635419641 /nfs/dbraw/zinc/41/96/41/635419641.db2.gz WJFBUECUKIHQSL-CXMPNGEBSA-N 1 3 322.474 2.324 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC1=CC[N@H+](CC(C)C)CC1 ZINC001001472725 635504636 /nfs/dbraw/zinc/50/46/36/635504636.db2.gz VEWCPKKGLPUXRP-KRWDZBQOSA-N 1 3 307.482 2.265 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC1=CC[N@@H+](CC(C)C)CC1 ZINC001001472725 635504641 /nfs/dbraw/zinc/50/46/41/635504641.db2.gz VEWCPKKGLPUXRP-KRWDZBQOSA-N 1 3 307.482 2.265 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001016328561 635783069 /nfs/dbraw/zinc/78/30/69/635783069.db2.gz DVPYKJHYBIOANZ-QGZVFWFLSA-N 1 3 315.461 2.352 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001016328561 635783074 /nfs/dbraw/zinc/78/30/74/635783074.db2.gz DVPYKJHYBIOANZ-QGZVFWFLSA-N 1 3 315.461 2.352 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CCC[N@H+](CC2CCC2)C3)C1 ZINC000982012748 635811629 /nfs/dbraw/zinc/81/16/29/635811629.db2.gz GEMWPMKOLKGZIA-MRXNPFEDSA-N 1 3 319.493 2.053 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CCC[N@@H+](CC2CCC2)C3)C1 ZINC000982012748 635811631 /nfs/dbraw/zinc/81/16/31/635811631.db2.gz GEMWPMKOLKGZIA-MRXNPFEDSA-N 1 3 319.493 2.053 20 0 DEADHO CN(C)[C@H](CC[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C)C(F)(F)F ZINC000925837034 635872639 /nfs/dbraw/zinc/87/26/39/635872639.db2.gz MZDLZWCSBADZEE-FVCCEPFGSA-N 1 3 307.404 2.235 20 0 DEADHO CN(C)[C@H](CCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C(F)(F)F ZINC000925837034 635872641 /nfs/dbraw/zinc/87/26/41/635872641.db2.gz MZDLZWCSBADZEE-FVCCEPFGSA-N 1 3 307.404 2.235 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cc(C)ns3)C2)[C@@H]1C(C)C ZINC000922396533 636157820 /nfs/dbraw/zinc/15/78/20/636157820.db2.gz XNUXFXKYGHKEFZ-WCXIOVBPSA-N 1 3 323.506 2.411 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cc(C)ns3)C2)[C@@H]1C(C)C ZINC000922396533 636157822 /nfs/dbraw/zinc/15/78/22/636157822.db2.gz XNUXFXKYGHKEFZ-WCXIOVBPSA-N 1 3 323.506 2.411 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001028579165 636368726 /nfs/dbraw/zinc/36/87/26/636368726.db2.gz BESVOHBEVJLWQG-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001028579165 636368730 /nfs/dbraw/zinc/36/87/30/636368730.db2.gz BESVOHBEVJLWQG-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN(C/C=C\Cl)C1 ZINC001028580170 636373484 /nfs/dbraw/zinc/37/34/84/636373484.db2.gz RGGZITDWJOSKHZ-DGPIVGRDSA-N 1 3 313.873 2.051 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN(C/C=C\Cl)C1 ZINC001028580170 636373491 /nfs/dbraw/zinc/37/34/91/636373491.db2.gz RGGZITDWJOSKHZ-DGPIVGRDSA-N 1 3 313.873 2.051 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+]Cc2nccc3ccccc32)CC1 ZINC000894176728 636393123 /nfs/dbraw/zinc/39/31/23/636393123.db2.gz UZVOUDHBIMNJEZ-INIZCTEOSA-N 1 3 312.461 2.350 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001004547576 636484574 /nfs/dbraw/zinc/48/45/74/636484574.db2.gz OSHQWDHAXCZCFH-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001004547576 636484575 /nfs/dbraw/zinc/48/45/75/636484575.db2.gz OSHQWDHAXCZCFH-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc2c(c1)OCCCO2 ZINC000924923644 636560337 /nfs/dbraw/zinc/56/03/37/636560337.db2.gz KXWPNHJPSGGFAY-MVVMVCHASA-N 1 3 302.418 2.278 20 0 DEADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc2c(c1)OCCCO2 ZINC000924923644 636560341 /nfs/dbraw/zinc/56/03/41/636560341.db2.gz KXWPNHJPSGGFAY-MVVMVCHASA-N 1 3 302.418 2.278 20 0 DEADHO CC(C)CCN1CCC([NH2+][C@@H](C)[C@H](C)N2CCOCC2)CC1 ZINC000924974001 636730006 /nfs/dbraw/zinc/73/00/06/636730006.db2.gz QOLZCASAZMXDCL-IRXDYDNUSA-N 1 3 311.514 2.196 20 0 DEADHO CC1(C)COC[C@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000894316857 636823892 /nfs/dbraw/zinc/82/38/92/636823892.db2.gz IQADFDQVRYKAOW-GOSISDBHSA-N 1 3 318.461 2.158 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC2CC2)C1 ZINC001028918560 636852312 /nfs/dbraw/zinc/85/23/12/636852312.db2.gz IMWPGKOZOAECHI-QZTJIDSGSA-N 1 3 321.509 2.489 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001028918560 636852315 /nfs/dbraw/zinc/85/23/15/636852315.db2.gz IMWPGKOZOAECHI-QZTJIDSGSA-N 1 3 321.509 2.489 20 0 DEADHO [NH3+]C[C@@H]1CCCN(C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000923282800 637083202 /nfs/dbraw/zinc/08/32/02/637083202.db2.gz XXJBEPPCRZBFIT-JSGCOSHPSA-N 1 3 316.367 2.280 20 0 DEADHO CN(CCC[NH3+])C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000923292672 637094763 /nfs/dbraw/zinc/09/47/63/637094763.db2.gz YVVACWJRFSLNTH-OAHLLOKOSA-N 1 3 311.429 2.436 20 0 DEADHO CN(Cc1ccccc1N1CCCC1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923320444 637114827 /nfs/dbraw/zinc/11/48/27/637114827.db2.gz YPFFXELXUIPEFR-QGZVFWFLSA-N 1 3 315.461 2.097 20 0 DEADHO NC1(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CCC1 ZINC000923333752 637119616 /nfs/dbraw/zinc/11/96/16/637119616.db2.gz SHJBHRSSFLMQIM-NSHDSACASA-N 1 3 319.232 2.204 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000923333029 637120665 /nfs/dbraw/zinc/12/06/65/637120665.db2.gz STZRABRJODBSHT-LNSITVRQSA-N 1 3 316.367 2.278 20 0 DEADHO CCc1onc(C)c1CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000923375522 637145299 /nfs/dbraw/zinc/14/52/99/637145299.db2.gz NUEVSWYDVPFIGC-DOTOQJQBSA-N 1 3 307.438 2.264 20 0 DEADHO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+][C@@H]2CCCC[C@H]2N)c1 ZINC000923382837 637149215 /nfs/dbraw/zinc/14/92/15/637149215.db2.gz RSOPWHUZBBYKNR-NWANDNLSSA-N 1 3 312.841 2.248 20 0 DEADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@H](O)Cc1ccccc1C(F)(F)F ZINC000923421705 637168908 /nfs/dbraw/zinc/16/89/08/637168908.db2.gz NXOUIYNDZMBZCF-BNOWGMLFSA-N 1 3 316.367 2.324 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CC)C[C@H]2CC1 ZINC000946904322 637197187 /nfs/dbraw/zinc/19/71/87/637197187.db2.gz BAAVLGUFPKQTBM-IXDOHACOSA-N 1 3 307.482 2.051 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC)C[C@H]2CC1 ZINC000946904322 637197189 /nfs/dbraw/zinc/19/71/89/637197189.db2.gz BAAVLGUFPKQTBM-IXDOHACOSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H](NC(=O)CN1CC[C@H](CC[NH3+])C1)c1ccccc1Cl ZINC000923488647 637208876 /nfs/dbraw/zinc/20/88/76/637208876.db2.gz LRPCBYROIMSKMW-OLZOCXBDSA-N 1 3 309.841 2.188 20 0 DEADHO C[C@@H]1CN(C[C@H](O)c2ccc(F)cc2Cl)CC[C@@H]1C[NH3+] ZINC000923492816 637210489 /nfs/dbraw/zinc/21/04/89/637210489.db2.gz POGZPYWWZDROQI-HFAKWTLXSA-N 1 3 300.805 2.429 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923504363 637219466 /nfs/dbraw/zinc/21/94/66/637219466.db2.gz QUNDLTOAXPHWBL-MHKQFDIHSA-N 1 3 309.498 2.233 20 0 DEADHO CC(C)[NH2+][C@@H](C)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001029144151 637274823 /nfs/dbraw/zinc/27/48/23/637274823.db2.gz RRFRIALEOFSHLT-HNNXBMFYSA-N 1 3 309.498 2.343 20 0 DEADHO COc1nccc(CNCC2CC[NH+](CC3CC3)CC2)c1F ZINC000895474007 638043046 /nfs/dbraw/zinc/04/30/46/638043046.db2.gz SMRRMTROCKIKBG-UHFFFAOYSA-N 1 3 307.413 2.441 20 0 DEADHO CN(C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCCN(C)C1 ZINC000895804901 638207688 /nfs/dbraw/zinc/20/76/88/638207688.db2.gz NSSYEKBADDWKTD-NVXWUHKLSA-N 1 3 322.497 2.129 20 0 DEADHO CN(C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCCN(C)C1 ZINC000895804901 638207690 /nfs/dbraw/zinc/20/76/90/638207690.db2.gz NSSYEKBADDWKTD-NVXWUHKLSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001029503215 639004711 /nfs/dbraw/zinc/00/47/11/639004711.db2.gz MQANWVHHGLUKBN-KSZLIROESA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001029503215 639004714 /nfs/dbraw/zinc/00/47/14/639004714.db2.gz MQANWVHHGLUKBN-KSZLIROESA-N 1 3 319.493 2.335 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CCCC2CCC2)C1 ZINC001029584499 639322564 /nfs/dbraw/zinc/32/25/64/639322564.db2.gz WKAKOFHXXPBDLV-KURKYZTESA-N 1 3 319.493 2.194 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CCCC2CCC2)C1 ZINC001029584499 639322569 /nfs/dbraw/zinc/32/25/69/639322569.db2.gz WKAKOFHXXPBDLV-KURKYZTESA-N 1 3 319.493 2.194 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2)C1 ZINC001029673130 639410829 /nfs/dbraw/zinc/41/08/29/639410829.db2.gz WEGOOHZVDWDZKS-MSOLQXFVSA-N 1 3 315.461 2.061 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC001029673130 639410835 /nfs/dbraw/zinc/41/08/35/639410835.db2.gz WEGOOHZVDWDZKS-MSOLQXFVSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@@H](NCC1([NH+]2CCCCC2)CCN(C)CC1)c1cn(C)cn1 ZINC000925157190 639483494 /nfs/dbraw/zinc/48/34/94/639483494.db2.gz TURBAKDNTMQACE-MRXNPFEDSA-N 1 3 319.497 2.021 20 0 DEADHO C[C@@H]1[C@H]([NH2+]Cc2ccccc2)CCN1C(=O)CN(C)C1CCC1 ZINC000986358227 639885842 /nfs/dbraw/zinc/88/58/42/639885842.db2.gz XKJQFXIROZMWHF-CRAIPNDOSA-N 1 3 315.461 2.250 20 0 DEADHO C[C@@H]1[C@@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CN(C)C1CCC1 ZINC000986358024 639886312 /nfs/dbraw/zinc/88/63/12/639886312.db2.gz VWYBQWKQMACVLS-PBHICJAKSA-N 1 3 321.509 2.486 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H]2C)c1 ZINC000987059746 640072635 /nfs/dbraw/zinc/07/26/35/640072635.db2.gz SFBUGHFNLRMRGM-PBHICJAKSA-N 1 3 312.417 2.040 20 0 DEADHO CC(C)(C)OC(=O)NC1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000897423898 640093641 /nfs/dbraw/zinc/09/36/41/640093641.db2.gz SFJUXENHTWPSIR-UONOGXRCSA-N 1 3 309.454 2.260 20 0 DEADHO CC(C)(C)OC(=O)NC1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000897423898 640093642 /nfs/dbraw/zinc/09/36/42/640093642.db2.gz SFJUXENHTWPSIR-UONOGXRCSA-N 1 3 309.454 2.260 20 0 DEADHO C[C@H]1[C@H]([NH2+]CC2CCCC2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987256027 640144029 /nfs/dbraw/zinc/14/40/29/640144029.db2.gz RVSDOBCACVVBOM-FUHWJXTLSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1[C@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CN1CCCC1 ZINC000987534767 640214545 /nfs/dbraw/zinc/21/45/45/640214545.db2.gz WKUCEWFXUVLVAA-GOEBONIOSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1[C@@H]([NH2+]CC2CC2)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC000987565646 640223324 /nfs/dbraw/zinc/22/33/24/640223324.db2.gz FMMGBAGZKZQOSN-KDOFPFPSSA-N 1 3 315.461 2.351 20 0 DEADHO CCCN(C(=O)C[C@@H](N)c1cc(C)nc(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000841848038 650578590 /nfs/dbraw/zinc/57/85/90/650578590.db2.gz RLIISZILKSZRPW-UONOGXRCSA-N 1 3 324.856 2.034 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N2CCCC[C@@H]2CC[NH3+])cc(Cl)n1 ZINC000841851645 650580275 /nfs/dbraw/zinc/58/02/75/650580275.db2.gz RVTAUVDIYGJBDF-ZIAGYGMSSA-N 1 3 324.856 2.163 20 0 DEADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000841855451 650581457 /nfs/dbraw/zinc/58/14/57/650581457.db2.gz OYNOGXSINSHADI-NJINODPHSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@H]1C[C@H](NCC2CCN(c3cc[nH+]cc3)CC2)c2ncnn21 ZINC000925300692 640739082 /nfs/dbraw/zinc/73/90/82/640739082.db2.gz OGHKFDXJUCXXPB-BBRMVZONSA-N 1 3 312.421 2.185 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC2CCCCC2)CN1C(=O)Cc1c[nH]cn1 ZINC000989493055 641123844 /nfs/dbraw/zinc/12/38/44/641123844.db2.gz QTNRQNGGDXNJGV-CJNGLKHVSA-N 1 3 304.438 2.112 20 0 DEADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccnn1C1CCC1 ZINC000924661656 641551850 /nfs/dbraw/zinc/55/18/50/641551850.db2.gz PDZVGEFESRPALR-INIZCTEOSA-N 1 3 319.497 2.286 20 0 DEADHO CC(C)(C)N1CCC([NH2+][C@@H](CO)C[C@H](O)c2ccccc2)CC1 ZINC000773110963 641730112 /nfs/dbraw/zinc/73/01/12/641730112.db2.gz WOAFBNRXZPATLZ-MSOLQXFVSA-N 1 3 320.477 2.324 20 0 DEADHO [NH3+]CCCCCCCN1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000842472084 650747447 /nfs/dbraw/zinc/74/74/47/650747447.db2.gz QABIPHZENXGMJA-QGZVFWFLSA-N 1 3 303.450 2.459 20 0 DEADHO CN(CC1CC[NH+](C)CC1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000779437597 642499092 /nfs/dbraw/zinc/49/90/92/642499092.db2.gz SSNMKVSCRFRYAM-SFHVURJKSA-N 1 3 315.461 2.061 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)N(C)C ZINC000900960201 642532274 /nfs/dbraw/zinc/53/22/74/642532274.db2.gz QUONULMQIHEUQF-SZMVWBNQSA-N 1 3 317.477 2.353 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)N(C)C ZINC000900960201 642532279 /nfs/dbraw/zinc/53/22/79/642532279.db2.gz QUONULMQIHEUQF-SZMVWBNQSA-N 1 3 317.477 2.353 20 0 DEADHO C[NH+]1CCN(c2cccc(Cl)c2CNC2CSC2)CC1 ZINC000780878447 642683537 /nfs/dbraw/zinc/68/35/37/642683537.db2.gz LFYUDCFXDNHIQJ-UHFFFAOYSA-N 1 3 311.882 2.297 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781403482 642747415 /nfs/dbraw/zinc/74/74/15/642747415.db2.gz YLHBMUGUOPNVRV-GJZGRUSLSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000781403482 642747419 /nfs/dbraw/zinc/74/74/19/642747419.db2.gz YLHBMUGUOPNVRV-GJZGRUSLSA-N 1 3 307.482 2.240 20 0 DEADHO CCNc1ccccc1C[NH2+]CCCN1CCN(CC)CC1 ZINC000902065681 642906904 /nfs/dbraw/zinc/90/69/04/642906904.db2.gz KHNQDLYCMGFCKA-UHFFFAOYSA-N 1 3 304.482 2.236 20 0 DEADHO CNC(=O)C[C@H](C)N[C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902386294 643025767 /nfs/dbraw/zinc/02/57/67/643025767.db2.gz FFLLWIDKJOTDJO-NHYWBVRUSA-N 1 3 313.392 2.249 20 0 DEADHO Cc1ncc2c(n1)CC[C@H](NC1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC1)C2 ZINC000903065521 643235684 /nfs/dbraw/zinc/23/56/84/643235684.db2.gz IBRFONZYWIOGHS-UNPWZGGWSA-N 1 3 312.461 2.390 20 0 DEADHO Cc1ncc2c(n1)CC[C@H](NC1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)C2 ZINC000903065521 643235689 /nfs/dbraw/zinc/23/56/89/643235689.db2.gz IBRFONZYWIOGHS-UNPWZGGWSA-N 1 3 312.461 2.390 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H](c2ccccn2)C2CC2)CC1 ZINC000903065045 643236022 /nfs/dbraw/zinc/23/60/22/643236022.db2.gz GEZBBLMAGGSWEM-GOSISDBHSA-N 1 3 302.466 2.150 20 0 DEADHO Fc1ccccc1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903511448 643373407 /nfs/dbraw/zinc/37/34/07/643373407.db2.gz UENLURLYGPEYJA-CALCHBBNSA-N 1 3 303.425 2.226 20 0 DEADHO Clc1cc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)ccn1 ZINC000903508576 643373766 /nfs/dbraw/zinc/37/37/66/643373766.db2.gz MGHPJBRPHCAVPH-IYBDPMFKSA-N 1 3 320.868 2.136 20 0 DEADHO Clc1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)ccn1 ZINC000903508576 643373771 /nfs/dbraw/zinc/37/37/71/643373771.db2.gz MGHPJBRPHCAVPH-IYBDPMFKSA-N 1 3 320.868 2.136 20 0 DEADHO Clc1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)ccn1 ZINC000903508576 643373773 /nfs/dbraw/zinc/37/37/73/643373773.db2.gz MGHPJBRPHCAVPH-IYBDPMFKSA-N 1 3 320.868 2.136 20 0 DEADHO O=C(CCN1CCc2ccccc2C1)OCC[NH+]1CCCCC1 ZINC000786828611 643415676 /nfs/dbraw/zinc/41/56/76/643415676.db2.gz PHRMSKPVHWCSCZ-UHFFFAOYSA-N 1 3 316.445 2.464 20 0 DEADHO Cc1ccc(OCCN(C)C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903718439 643437901 /nfs/dbraw/zinc/43/79/01/643437901.db2.gz MNNNHIYXVCDMPD-GOSISDBHSA-N 1 3 318.461 2.464 20 0 DEADHO COCCN(Cc1cccs1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718157 643438232 /nfs/dbraw/zinc/43/82/32/643438232.db2.gz HOUUGWRBVKCUFZ-HNNXBMFYSA-N 1 3 324.490 2.355 20 0 DEADHO CCCCCNC(=O)C1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903723544 643439892 /nfs/dbraw/zinc/43/98/92/643439892.db2.gz IEPUPTNKMBTPON-MRXNPFEDSA-N 1 3 309.498 2.395 20 0 DEADHO COc1ccc(CN(C)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1C ZINC000903727586 643441110 /nfs/dbraw/zinc/44/11/10/643441110.db2.gz VOKUOFYSNLIAND-FUHWJXTLSA-N 1 3 304.434 2.204 20 0 DEADHO COc1ccc(CN(C)C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)cc1C ZINC000903727588 643441149 /nfs/dbraw/zinc/44/11/49/643441149.db2.gz VOKUOFYSNLIAND-WMZOPIPTSA-N 1 3 304.434 2.204 20 0 DEADHO COC(=O)c1ccc(CN2CC[C@H]([C@H](C)[NH3+])C2)c2ncccc12 ZINC000903742522 643450563 /nfs/dbraw/zinc/45/05/63/643450563.db2.gz BYDWSOSSQSPXJB-STQMWFEESA-N 1 3 313.401 2.191 20 0 DEADHO C([C@H]1CCC2(CCC2)CO1)[N@@H+]1CCNCCC12CCOCC2 ZINC000903820024 643471739 /nfs/dbraw/zinc/47/17/39/643471739.db2.gz RQLIAPSAHKIWGV-MRXNPFEDSA-N 1 3 308.466 2.180 20 0 DEADHO C([C@H]1CCC2(CCC2)CO1)[N@H+]1CCNCCC12CCOCC2 ZINC000903820024 643471742 /nfs/dbraw/zinc/47/17/42/643471742.db2.gz RQLIAPSAHKIWGV-MRXNPFEDSA-N 1 3 308.466 2.180 20 0 DEADHO Cc1c(C[C@H](CN)C[NH2+]CCc2cccc(Cl)c2)cnn1C ZINC000903921238 643508137 /nfs/dbraw/zinc/50/81/37/643508137.db2.gz NTBPTPKHSMBAFK-OAHLLOKOSA-N 1 3 320.868 2.332 20 0 DEADHO c1cnn(-c2cc(CNCc3cccc4c3CC[NH2+]C4)ccn2)c1 ZINC000903923641 643508568 /nfs/dbraw/zinc/50/85/68/643508568.db2.gz ZEVSSMICFLRLOX-UHFFFAOYSA-N 1 3 319.412 2.203 20 0 DEADHO c1ccc2c(C[NH2+][C@H]3CNCC4(CCOCC4)C3)ccnc2c1 ZINC000903974916 643531818 /nfs/dbraw/zinc/53/18/18/643531818.db2.gz VMEGKRZTJGVIOL-MRXNPFEDSA-N 1 3 311.429 2.483 20 0 DEADHO CCOc1ccccc1CN1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000904389650 643651234 /nfs/dbraw/zinc/65/12/34/643651234.db2.gz PVLXSYCGROXQKU-MRXNPFEDSA-N 1 3 304.434 2.415 20 0 DEADHO COC(=O)c1cccc2c1OCCN(C[C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC000904389511 643651890 /nfs/dbraw/zinc/65/18/90/643651890.db2.gz LTFOUEGXJOMLAQ-KBPBESRZSA-N 1 3 318.417 2.056 20 0 DEADHO CC(C)(C)CC[C@H]([NH3+])CN1CCC[C@H](N2CCOCC2)CC1 ZINC000904376560 643653976 /nfs/dbraw/zinc/65/39/76/643653976.db2.gz BVQCBFWCDOUWOL-IRXDYDNUSA-N 1 3 311.514 2.327 20 0 DEADHO CCOc1c(CN2CC[C@H](CC[NH3+])C2)c(C)nn1CC(C)C ZINC000904411307 643662297 /nfs/dbraw/zinc/66/22/97/643662297.db2.gz UJAVKZXQBXJSNI-HNNXBMFYSA-N 1 3 308.470 2.417 20 0 DEADHO CCCCCCNC(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843387219 650963724 /nfs/dbraw/zinc/96/37/24/650963724.db2.gz PHPIZOXAPOKAJV-IAGOWNOFSA-N 1 3 309.498 2.395 20 0 DEADHO CC(C)N1CCN(CCC[NH2+]C(C)(C)C2CCOCC2)CC1 ZINC000800382592 645264216 /nfs/dbraw/zinc/26/42/16/645264216.db2.gz ZGERHVDSFIKEHF-UHFFFAOYSA-N 1 3 311.514 2.197 20 0 DEADHO CC[N@@H+]1CCCN(C(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000910281327 645386486 /nfs/dbraw/zinc/38/64/86/645386486.db2.gz JZJMEMIFEBTKRA-HNNXBMFYSA-N 1 3 303.450 2.305 20 0 DEADHO CC[N@H+]1CCCN(C(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000910281327 645386490 /nfs/dbraw/zinc/38/64/90/645386490.db2.gz JZJMEMIFEBTKRA-HNNXBMFYSA-N 1 3 303.450 2.305 20 0 DEADHO O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@]12C[C@H]1CCCN2 ZINC000912014671 645915704 /nfs/dbraw/zinc/91/57/04/645915704.db2.gz LRQOZVSBFSRBPW-APWZRJJASA-N 1 3 319.493 2.434 20 0 DEADHO N[C@@H](CC1CC1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000323765912 646161495 /nfs/dbraw/zinc/16/14/95/646161495.db2.gz XLUAYLCXFCGRSZ-SFHVURJKSA-N 1 3 315.461 2.416 20 0 DEADHO C[N@H+](C[C@H](O)CN[C@@H](c1ccccc1)C1CCOCC1)C1CC1 ZINC000809972671 646306033 /nfs/dbraw/zinc/30/60/33/646306033.db2.gz LNDWKFZLXAEVFQ-MOPGFXCFSA-N 1 3 318.461 2.199 20 0 DEADHO C[N@@H+](C[C@H](O)CN[C@@H](c1ccccc1)C1CCOCC1)C1CC1 ZINC000809972671 646306038 /nfs/dbraw/zinc/30/60/38/646306038.db2.gz LNDWKFZLXAEVFQ-MOPGFXCFSA-N 1 3 318.461 2.199 20 0 DEADHO C[NH+]1C[C@]2(C)CN(C(=O)C(C)(C)N3CCCCC3)C[C@@]2(C)C1 ZINC000913269754 646307437 /nfs/dbraw/zinc/30/74/37/646307437.db2.gz JADBKYYNQPCRJT-QZTJIDSGSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1CCCCN1CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810141554 646330716 /nfs/dbraw/zinc/33/07/16/646330716.db2.gz BITGTEDVOZIOJL-WMLDXEAASA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H]1CCCCN1CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810141554 646330721 /nfs/dbraw/zinc/33/07/21/646330721.db2.gz BITGTEDVOZIOJL-WMLDXEAASA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001015052812 646892056 /nfs/dbraw/zinc/89/20/56/646892056.db2.gz NYSJSBRHRKHANU-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001015052812 646892062 /nfs/dbraw/zinc/89/20/62/646892062.db2.gz NYSJSBRHRKHANU-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO CC[N@@H+]1CC[C@@]2(NC(=O)c3cccc(CN(C)C)c3)CCC[C@@H]12 ZINC000992505932 647077672 /nfs/dbraw/zinc/07/76/72/647077672.db2.gz IMRCXIRONSKMPM-MJGOQNOKSA-N 1 3 315.461 2.495 20 0 DEADHO CC[N@H+]1CC[C@@]2(NC(=O)c3cccc(CN(C)C)c3)CCC[C@@H]12 ZINC000992505932 647077673 /nfs/dbraw/zinc/07/76/73/647077673.db2.gz IMRCXIRONSKMPM-MJGOQNOKSA-N 1 3 315.461 2.495 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000817898662 647375778 /nfs/dbraw/zinc/37/57/78/647375778.db2.gz IXJXVVSLWSEXSX-GTNSWQLSSA-N 1 3 303.381 2.372 20 0 DEADHO COc1cccc([C@H](O)C[NH2+][C@@H](C)c2ccc(CN)nc2C)c1 ZINC000817904967 647378395 /nfs/dbraw/zinc/37/83/95/647378395.db2.gz JCGQXMUYQLQKKZ-KPZWWZAWSA-N 1 3 315.417 2.242 20 0 DEADHO C[C@](O)(CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000817924857 647384076 /nfs/dbraw/zinc/38/40/76/647384076.db2.gz ZKAWBORHYJPPMF-MKXGPGLRSA-N 1 3 318.461 2.031 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000817931675 647385818 /nfs/dbraw/zinc/38/58/18/647385818.db2.gz NMXFRZCVAKALOI-IHRRRGAJSA-N 1 3 304.438 2.383 20 0 DEADHO CCCC[C@H](CN)[NH2+][C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000817961774 647394355 /nfs/dbraw/zinc/39/43/55/647394355.db2.gz BXZAOLXZMGLSBJ-UHOSZYNNSA-N 1 3 319.493 2.383 20 0 DEADHO CCC1([NH+]2CCCCC2)CCN(C(=O)CN2CCCC2)CC1 ZINC000915124618 647481019 /nfs/dbraw/zinc/48/10/19/647481019.db2.gz AAJMXFPJDOWXLI-UHFFFAOYSA-N 1 3 307.482 2.339 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CCN(CCF)CC(C)(C)C1)[NH+](C)C ZINC001388844083 1155135049 /nfs/dbraw/zinc/13/50/49/1155135049.db2.gz WXIKYEOVUYZWBW-GJZGRUSLSA-N 1 3 315.477 2.149 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC(C)(C)CC1 ZINC000820068731 647778104 /nfs/dbraw/zinc/77/81/04/647778104.db2.gz OJUXPRSBJZFADF-HNNXBMFYSA-N 1 3 312.502 2.090 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC(C)(C)CC1 ZINC000820068731 647778105 /nfs/dbraw/zinc/77/81/05/647778105.db2.gz OJUXPRSBJZFADF-HNNXBMFYSA-N 1 3 312.502 2.090 20 0 DEADHO CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC000994504704 647972918 /nfs/dbraw/zinc/97/29/18/647972918.db2.gz YBCRWNMDJSKPEK-PBHICJAKSA-N 1 3 303.450 2.351 20 0 DEADHO CC[N@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC000994504704 647972919 /nfs/dbraw/zinc/97/29/19/647972919.db2.gz YBCRWNMDJSKPEK-PBHICJAKSA-N 1 3 303.450 2.351 20 0 DEADHO CC(C)CC[NH+]1CCC(CNC(=O)N[C@H]2CCN(C)[C@H]2C)CC1 ZINC000921362774 648294204 /nfs/dbraw/zinc/29/42/04/648294204.db2.gz ATRKKHXXKHFSBH-RDJZCZTQSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C(C)C)CC1(C)C ZINC000940738112 648935758 /nfs/dbraw/zinc/93/57/58/648935758.db2.gz WKKQOZRQXKJBNJ-HZPDHXFCSA-N 1 3 309.498 2.484 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C(C)C)CC1(C)C ZINC000940738112 648935760 /nfs/dbraw/zinc/93/57/60/648935760.db2.gz WKKQOZRQXKJBNJ-HZPDHXFCSA-N 1 3 309.498 2.484 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)C[C@@H]([NH3+])C1CC1)c1ccsc1 ZINC000827024024 648961770 /nfs/dbraw/zinc/96/17/70/648961770.db2.gz PLYGGSBFYZBISE-CABCVRRESA-N 1 3 309.479 2.375 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000827548972 649049651 /nfs/dbraw/zinc/04/96/51/649049651.db2.gz UIHSHEYEELWTOP-RYQLBKOJSA-N 1 3 315.461 2.470 20 0 DEADHO CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC000942053184 649142731 /nfs/dbraw/zinc/14/27/31/649142731.db2.gz KVSBYTVNMLPGON-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC000942053184 649142734 /nfs/dbraw/zinc/14/27/34/649142734.db2.gz KVSBYTVNMLPGON-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO COC[C@H](C)CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000848998087 651576490 /nfs/dbraw/zinc/57/64/90/651576490.db2.gz NZALBGVNUCMKTP-OAHLLOKOSA-N 1 3 318.465 2.047 20 0 DEADHO CCN(CC)C(=[NH2+])NCC1(N2CCC(OC)CC2)CCCC1 ZINC000849006414 651579420 /nfs/dbraw/zinc/57/94/20/651579420.db2.gz HASWNDHKKIBUFG-UHFFFAOYSA-N 1 3 310.486 2.276 20 0 DEADHO COC1CCN(C2(CNC(=[NH2+])NC3CCC3)CCCC2)CC1 ZINC000849006583 651579867 /nfs/dbraw/zinc/57/98/67/651579867.db2.gz SEMUNJHBHDPZRD-UHFFFAOYSA-N 1 3 308.470 2.076 20 0 DEADHO CN(C)C(=O)C1(C[NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CCCC1 ZINC000925488620 651617250 /nfs/dbraw/zinc/61/72/50/651617250.db2.gz USWDOVASGVKVMQ-QLFBSQMISA-N 1 3 307.482 2.001 20 0 DEADHO CN(C)C(=O)C1(CN[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCCC1 ZINC000925488620 651617253 /nfs/dbraw/zinc/61/72/53/651617253.db2.gz USWDOVASGVKVMQ-QLFBSQMISA-N 1 3 307.482 2.001 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(F)CCCCC1 ZINC000855347173 651679818 /nfs/dbraw/zinc/67/98/18/651679818.db2.gz XBADIANJJKHXDY-AWEZNQCLSA-N 1 3 301.450 2.047 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(F)CCCCC1 ZINC000855347173 651679821 /nfs/dbraw/zinc/67/98/21/651679821.db2.gz XBADIANJJKHXDY-AWEZNQCLSA-N 1 3 301.450 2.047 20 0 DEADHO CCOC(=O)NC1CCC([NH2+]C[C@@H](C)CN2CCCC2)CC1 ZINC000850425950 651926754 /nfs/dbraw/zinc/92/67/54/651926754.db2.gz YFFHXLHBPJPHHR-QQFBHYJXSA-N 1 3 311.470 2.365 20 0 DEADHO C[N@@H+]1CC[C@@H](N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000858135727 652262235 /nfs/dbraw/zinc/26/22/35/652262235.db2.gz AJTMAWIPCDJZEH-ZIAGYGMSSA-N 1 3 311.470 2.458 20 0 DEADHO C[N@H+]1CC[C@@H](N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000858135727 652262240 /nfs/dbraw/zinc/26/22/40/652262240.db2.gz AJTMAWIPCDJZEH-ZIAGYGMSSA-N 1 3 311.470 2.458 20 0 DEADHO CC[N@H+](C[C@H](O)CN(C)C(C)C)[C@H](C)[C@H](O)c1ccccc1 ZINC000852065640 652330577 /nfs/dbraw/zinc/33/05/77/652330577.db2.gz HTHDZWVZMYNOER-NXHRZFHOSA-N 1 3 308.466 2.132 20 0 DEADHO CC[N@@H+](C[C@H](O)CN(C)C(C)C)[C@H](C)[C@H](O)c1ccccc1 ZINC000852065640 652330579 /nfs/dbraw/zinc/33/05/79/652330579.db2.gz HTHDZWVZMYNOER-NXHRZFHOSA-N 1 3 308.466 2.132 20 0 DEADHO CC1CCC(N2CCN(C(=O)C=C3CC[NH2+]CC3)CC2)CC1 ZINC000852869146 652473225 /nfs/dbraw/zinc/47/32/25/652473225.db2.gz WYXHLXNKULAMLW-UHFFFAOYSA-N 1 3 305.466 2.019 20 0 DEADHO Cc1cc(C[NH2+]CC2CC(NC(=O)CN(C)C(C)C)C2)cs1 ZINC001393908421 1158059456 /nfs/dbraw/zinc/05/94/56/1158059456.db2.gz PVJGAVURLZPMGT-UHFFFAOYSA-N 1 3 323.506 2.381 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001374931692 1158097718 /nfs/dbraw/zinc/09/77/18/1158097718.db2.gz OGCVFDLSUTUQMB-BFHYXJOUSA-N 1 3 319.440 2.102 20 0 DEADHO C[C@H](CCNC(=O)[C@@H](N)CC1CC1)[N@H+](C)Cc1ccccc1 ZINC000379681199 685393034 /nfs/dbraw/zinc/39/30/34/685393034.db2.gz PQJQKJSDLCYRIS-PBHICJAKSA-N 1 3 303.450 2.141 20 0 DEADHO C[C@H](CCNC(=O)[C@@H](N)CC1CC1)[N@@H+](C)Cc1ccccc1 ZINC000379681199 685393039 /nfs/dbraw/zinc/39/30/39/685393039.db2.gz PQJQKJSDLCYRIS-PBHICJAKSA-N 1 3 303.450 2.141 20 0 DEADHO C[C@@H]1[C@H](NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCN1C ZINC000928445635 693781814 /nfs/dbraw/zinc/78/18/14/693781814.db2.gz SHBMOTIFJUPLAL-BPQIPLTHSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1[C@H](NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000928445635 693781817 /nfs/dbraw/zinc/78/18/17/693781817.db2.gz SHBMOTIFJUPLAL-BPQIPLTHSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)Cc1ccccc1 ZINC000119883137 684088657 /nfs/dbraw/zinc/08/86/57/684088657.db2.gz AHUVATCFSAVMBQ-OAHLLOKOSA-N 1 3 303.450 2.107 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)Cc1ccccc1 ZINC000119883137 684088661 /nfs/dbraw/zinc/08/86/61/684088661.db2.gz AHUVATCFSAVMBQ-OAHLLOKOSA-N 1 3 303.450 2.107 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000154488729 684267273 /nfs/dbraw/zinc/26/72/73/684267273.db2.gz PREDCLBGUYLILI-MRXNPFEDSA-N 1 3 315.461 2.252 20 0 DEADHO CC[N@H+](C)Cc1cccc(CNC(=O)C2(N(C)C)CCC2)c1 ZINC000158782634 684304644 /nfs/dbraw/zinc/30/46/44/684304644.db2.gz UYQPLYABQYZKOZ-UHFFFAOYSA-N 1 3 303.450 2.239 20 0 DEADHO CC[N@@H+](C)Cc1cccc(CNC(=O)C2(N(C)C)CCC2)c1 ZINC000158782634 684304648 /nfs/dbraw/zinc/30/46/48/684304648.db2.gz UYQPLYABQYZKOZ-UHFFFAOYSA-N 1 3 303.450 2.239 20 0 DEADHO CN(CC(=O)N1CCC[C@]2(CC[N@H+](CC3CC3)C2)C1)C1CCC1 ZINC001054145479 693862238 /nfs/dbraw/zinc/86/22/38/693862238.db2.gz QQMIHUZJHVMVTG-LJQANCHMSA-N 1 3 319.493 2.195 20 0 DEADHO CN(CC(=O)N1CCC[C@]2(CC[N@@H+](CC3CC3)C2)C1)C1CCC1 ZINC001054145479 693862241 /nfs/dbraw/zinc/86/22/41/693862241.db2.gz QQMIHUZJHVMVTG-LJQANCHMSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@]3(CC[N@H+](CC4CC4)C3)C2)C1 ZINC001054197936 693879530 /nfs/dbraw/zinc/87/95/30/693879530.db2.gz LYEJTLDVIODRKG-VQIMIIECSA-N 1 3 319.493 2.053 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@]3(CC[N@@H+](CC4CC4)C3)C2)C1 ZINC001054197936 693879533 /nfs/dbraw/zinc/87/95/33/693879533.db2.gz LYEJTLDVIODRKG-VQIMIIECSA-N 1 3 319.493 2.053 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001054205204 693881918 /nfs/dbraw/zinc/88/19/18/693881918.db2.gz MSZXHXLBIGNHJH-SFHVURJKSA-N 1 3 316.449 2.067 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001054205204 693881921 /nfs/dbraw/zinc/88/19/21/693881921.db2.gz MSZXHXLBIGNHJH-SFHVURJKSA-N 1 3 316.449 2.067 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@H+](CC)C2)C1 ZINC001054245614 693898847 /nfs/dbraw/zinc/89/88/47/693898847.db2.gz WWIBKQNCGCDAEP-SJLPKXTDSA-N 1 3 307.482 2.195 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CC)C2)C1 ZINC001054245614 693898852 /nfs/dbraw/zinc/89/88/52/693898852.db2.gz WWIBKQNCGCDAEP-SJLPKXTDSA-N 1 3 307.482 2.195 20 0 DEADHO CN(Cc1ccc(C[NH+](C)C)cc1)CC1CCS(=O)(=O)CC1 ZINC000859213193 685682782 /nfs/dbraw/zinc/68/27/82/685682782.db2.gz VDDDHPGRPAPJNU-UHFFFAOYSA-N 1 3 324.490 2.005 20 0 DEADHO CCN(C(=O)C1(C[NH+](C)C)CCCCC1)C1CCN(C)CC1 ZINC000861892137 686200367 /nfs/dbraw/zinc/20/03/67/686200367.db2.gz BXLSJRTTXXVEFR-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1[NH2+]CCC1CC1 ZINC001054648945 694014467 /nfs/dbraw/zinc/01/44/67/694014467.db2.gz KODPMVYGMWLVFL-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC23CCC3)C1 ZINC000863481450 686507688 /nfs/dbraw/zinc/50/76/88/686507688.db2.gz DNQWBHJHZZAJSG-FRRDWIJNSA-N 1 3 316.392 2.228 20 0 DEADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]Cc1ccsc1 ZINC001054738514 694035978 /nfs/dbraw/zinc/03/59/78/694035978.db2.gz QRHYTYKKAOASCU-ZFWWWQNUSA-N 1 3 321.490 2.169 20 0 DEADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]Cc1ccsc1 ZINC001054738511 694036013 /nfs/dbraw/zinc/03/60/13/694036013.db2.gz QRHYTYKKAOASCU-DZGCQCFKSA-N 1 3 321.490 2.169 20 0 DEADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]CC1=CCCCC1 ZINC001054739516 694036415 /nfs/dbraw/zinc/03/64/15/694036415.db2.gz UFIFODIZFCIDJP-RDJZCZTQSA-N 1 3 319.493 2.408 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001054740013 694036622 /nfs/dbraw/zinc/03/66/22/694036622.db2.gz UTFZMGPAKICQQB-GDBMZVCRSA-N 1 3 321.509 2.343 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]Cc1ccsc1 ZINC001054741662 694036809 /nfs/dbraw/zinc/03/68/09/694036809.db2.gz ZPUNHEXGKRALIO-CZUORRHYSA-N 1 3 321.490 2.169 20 0 DEADHO Cc1cc(CN2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c(C)s1 ZINC001016249913 687570689 /nfs/dbraw/zinc/57/06/89/687570689.db2.gz KWHZECMKOAUSCF-HOCLYGCPSA-N 1 3 321.490 2.007 20 0 DEADHO Cc1cc(CN2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c(C)s1 ZINC001016249913 687570692 /nfs/dbraw/zinc/57/06/92/687570692.db2.gz KWHZECMKOAUSCF-HOCLYGCPSA-N 1 3 321.490 2.007 20 0 DEADHO CCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001016332779 687595365 /nfs/dbraw/zinc/59/53/65/687595365.db2.gz SJASNEVIXLDPLQ-KRWDZBQOSA-N 1 3 303.450 2.352 20 0 DEADHO CCCC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001016332779 687595366 /nfs/dbraw/zinc/59/53/66/687595366.db2.gz SJASNEVIXLDPLQ-KRWDZBQOSA-N 1 3 303.450 2.352 20 0 DEADHO COC(=O)/C=C\c1ccc(OCC[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000866667734 687646479 /nfs/dbraw/zinc/64/64/79/687646479.db2.gz WYQWCFXWWWONRB-RIDHJDLKSA-N 1 3 318.417 2.111 20 0 DEADHO COc1ccc([C@H](CN)C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)cc1 ZINC000866702998 687658836 /nfs/dbraw/zinc/65/88/36/687658836.db2.gz CUHMAHMYVRBUPG-OAGGEKHMSA-N 1 3 306.475 2.422 20 0 DEADHO COc1ccc([C@H](CN)C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)cc1 ZINC000866702998 687658838 /nfs/dbraw/zinc/65/88/38/687658838.db2.gz CUHMAHMYVRBUPG-OAGGEKHMSA-N 1 3 306.475 2.422 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](C(C)C)CC2 ZINC001016651940 687674656 /nfs/dbraw/zinc/67/46/56/687674656.db2.gz LOWXDCJYGBEOMM-JKSUJKDBSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000930335975 694140033 /nfs/dbraw/zinc/14/00/33/694140033.db2.gz DEOSRNMXRZBGOF-QZTJIDSGSA-N 1 3 317.477 2.148 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001018966392 688262983 /nfs/dbraw/zinc/26/29/83/688262983.db2.gz HLOUXSNFZSPJES-ZWKOTPCHSA-N 1 3 315.461 2.026 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001019382885 688343480 /nfs/dbraw/zinc/34/34/80/688343480.db2.gz NZISBNQBAXNNJM-AEFFLSMTSA-N 1 3 319.493 2.409 20 0 DEADHO CC1(C)CC(C[NH2+][C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001019386870 688343847 /nfs/dbraw/zinc/34/38/47/688343847.db2.gz WMLHIGWWVMELSY-INIZCTEOSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)C[NH2+][C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001019812262 688413630 /nfs/dbraw/zinc/41/36/30/688413630.db2.gz GCCSGCOODXEQJZ-INIZCTEOSA-N 1 3 303.450 2.208 20 0 DEADHO [NH3+][C@H]1CC[C@@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000870864954 688671142 /nfs/dbraw/zinc/67/11/42/688671142.db2.gz SJPLRLVRIISRBV-FGTMMUONSA-N 1 3 315.461 2.285 20 0 DEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)CC[NH2+]CC1CC1 ZINC000870908447 688683312 /nfs/dbraw/zinc/68/33/12/688683312.db2.gz LDXYQKWTPSBUQI-UHFFFAOYSA-N 1 3 321.440 2.106 20 0 DEADHO C[N@@H+]1CC[C@H](NCc2ccc3oc(=O)[nH]c3c2)[C@@H]2CCC[C@@H]21 ZINC000872122845 688932576 /nfs/dbraw/zinc/93/25/76/688932576.db2.gz OVPWFEWKZCRFND-YDHLFZDLSA-N 1 3 301.390 2.496 20 0 DEADHO C[N@H+]1CC[C@H](NCc2ccc3oc(=O)[nH]c3c2)[C@@H]2CCC[C@@H]21 ZINC000872122845 688932579 /nfs/dbraw/zinc/93/25/79/688932579.db2.gz OVPWFEWKZCRFND-YDHLFZDLSA-N 1 3 301.390 2.496 20 0 DEADHO [NH3+][C@H](C[C@H]1CCCN(CC(=O)N2CCCC2)C1)C1CCCC1 ZINC000872158014 688941053 /nfs/dbraw/zinc/94/10/53/688941053.db2.gz RNLTYAWCQDWZCF-NVXWUHKLSA-N 1 3 307.482 2.228 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1CN(CC2=CCCCC2)C1 ZINC001031665759 688976362 /nfs/dbraw/zinc/97/63/62/688976362.db2.gz GOFDTWUGUNVXSA-SFHVURJKSA-N 1 3 319.493 2.408 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1CN(CC2=CCCCC2)C1 ZINC001031665759 688976364 /nfs/dbraw/zinc/97/63/64/688976364.db2.gz GOFDTWUGUNVXSA-SFHVURJKSA-N 1 3 319.493 2.408 20 0 DEADHO CC[C@H](C)C[NH+]1CC(CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001032026958 689044640 /nfs/dbraw/zinc/04/46/40/689044640.db2.gz LIXQXMFESIOSHJ-DOTOQJQBSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC1C[NH+](CCC2CC2)C1 ZINC001032027399 689045014 /nfs/dbraw/zinc/04/50/14/689045014.db2.gz QUNXMZRKRIXEIA-KRWDZBQOSA-N 1 3 307.482 2.097 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC1C[NH+](CCCC2CCC2)C1 ZINC001032205598 689083233 /nfs/dbraw/zinc/08/32/33/689083233.db2.gz CMEYZSZERMSTMI-SFHVURJKSA-N 1 3 321.509 2.489 20 0 DEADHO CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001032445408 689153408 /nfs/dbraw/zinc/15/34/08/689153408.db2.gz FIHVVLMECOKGFE-IKGGRYGDSA-N 1 3 307.482 2.335 20 0 DEADHO CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001032445408 689153413 /nfs/dbraw/zinc/15/34/13/689153413.db2.gz FIHVVLMECOKGFE-IKGGRYGDSA-N 1 3 307.482 2.335 20 0 DEADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCC1)C1CC1 ZINC001032445740 689153823 /nfs/dbraw/zinc/15/38/23/689153823.db2.gz PCQHXKCONOAKGB-BZSNNMDCSA-N 1 3 319.493 2.192 20 0 DEADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCC1)C1CC1 ZINC001032445740 689153826 /nfs/dbraw/zinc/15/38/26/689153826.db2.gz PCQHXKCONOAKGB-BZSNNMDCSA-N 1 3 319.493 2.192 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC1 ZINC001032492909 689166769 /nfs/dbraw/zinc/16/67/69/689166769.db2.gz CYIQMOUNCSVDPN-BZSNNMDCSA-N 1 3 319.493 2.192 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC1 ZINC001032492909 689166770 /nfs/dbraw/zinc/16/67/70/689166770.db2.gz CYIQMOUNCSVDPN-BZSNNMDCSA-N 1 3 319.493 2.192 20 0 DEADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001032493485 689166998 /nfs/dbraw/zinc/16/69/98/689166998.db2.gz VXLQETORNXOZJR-BZSNNMDCSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001032493485 689167001 /nfs/dbraw/zinc/16/70/01/689167001.db2.gz VXLQETORNXOZJR-BZSNNMDCSA-N 1 3 321.509 2.438 20 0 DEADHO c1c(CN2CCS[C@H]3COCC[C@@H]32)sc2c1C[NH2+]CC2 ZINC000873208654 689183991 /nfs/dbraw/zinc/18/39/91/689183991.db2.gz ZPGOAENUGXIQOM-ZFWWWQNUSA-N 1 3 310.488 2.100 20 0 DEADHO c1c(CN2CCOCC3(CCOCC3)C2)sc2c1C[NH2+]CC2 ZINC000873210171 689184583 /nfs/dbraw/zinc/18/45/83/689184583.db2.gz XGQMFAWKOYELIQ-UHFFFAOYSA-N 1 3 322.474 2.023 20 0 DEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1CC2(CO1)CCOCC2 ZINC000873251542 689194157 /nfs/dbraw/zinc/19/41/57/689194157.db2.gz KZIZFVSGEHDCRZ-IXDOHACOSA-N 1 3 310.482 2.473 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2C[C@H](C(=O)OCc3ccccc3)C2)C1 ZINC000873273870 689200089 /nfs/dbraw/zinc/20/00/89/689200089.db2.gz OBPCCDGYTUUADJ-QBPKDAKJSA-N 1 3 302.418 2.368 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001033127569 689398214 /nfs/dbraw/zinc/39/82/14/689398214.db2.gz WAFQJBCXKXKZDD-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033127569 689398216 /nfs/dbraw/zinc/39/82/16/689398216.db2.gz WAFQJBCXKXKZDD-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001033295837 689451821 /nfs/dbraw/zinc/45/18/21/689451821.db2.gz NPUQQKYFJFGXNN-QZTJIDSGSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001033295837 689451822 /nfs/dbraw/zinc/45/18/22/689451822.db2.gz NPUQQKYFJFGXNN-QZTJIDSGSA-N 1 3 321.509 2.440 20 0 DEADHO CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001033415918 689493122 /nfs/dbraw/zinc/49/31/22/689493122.db2.gz MMTMFTNYYNADRM-YOEHRIQHSA-N 1 3 313.461 2.142 20 0 DEADHO CCC[N@H+]1CC[C@H](N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001033415918 689493125 /nfs/dbraw/zinc/49/31/25/689493125.db2.gz MMTMFTNYYNADRM-YOEHRIQHSA-N 1 3 313.461 2.142 20 0 DEADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000874828415 689503143 /nfs/dbraw/zinc/50/31/43/689503143.db2.gz HXFKSSGQWYQTFE-MSOLQXFVSA-N 1 3 315.461 2.099 20 0 DEADHO CN(C)Cc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](CCCF)C2)c1 ZINC001033683573 689583343 /nfs/dbraw/zinc/58/33/43/689583343.db2.gz HXRLVZZXTYGVSH-QGZVFWFLSA-N 1 3 321.440 2.254 20 0 DEADHO CN(C)Cc1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](CCCF)C2)c1 ZINC001033683573 689583347 /nfs/dbraw/zinc/58/33/47/689583347.db2.gz HXRLVZZXTYGVSH-QGZVFWFLSA-N 1 3 321.440 2.254 20 0 DEADHO CCN(C(=O)[C@@H]1CCCN1C(C)C)[C@@H]1CC[N@H+](CCCF)C1 ZINC001033829144 689629291 /nfs/dbraw/zinc/62/92/91/689629291.db2.gz UAMQUHWMVBJPAP-CVEARBPZSA-N 1 3 313.461 2.142 20 0 DEADHO CCN(C(=O)[C@@H]1CCCN1C(C)C)[C@@H]1CC[N@@H+](CCCF)C1 ZINC001033829144 689629293 /nfs/dbraw/zinc/62/92/93/689629293.db2.gz UAMQUHWMVBJPAP-CVEARBPZSA-N 1 3 313.461 2.142 20 0 DEADHO CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)[C@@H]1CCN(CCCF)C1 ZINC001033829144 689629297 /nfs/dbraw/zinc/62/92/97/689629297.db2.gz UAMQUHWMVBJPAP-CVEARBPZSA-N 1 3 313.461 2.142 20 0 DEADHO CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)[C@@H]1CCN(CCCF)C1 ZINC001033829144 689629299 /nfs/dbraw/zinc/62/92/99/689629299.db2.gz UAMQUHWMVBJPAP-CVEARBPZSA-N 1 3 313.461 2.142 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1F ZINC001034882537 689977730 /nfs/dbraw/zinc/97/77/30/689977730.db2.gz YEWZSHQJAMUMGB-NVXWUHKLSA-N 1 3 319.424 2.001 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001034884950 689977959 /nfs/dbraw/zinc/97/79/59/689977959.db2.gz NTGYAVXTDNFNKY-QZTJIDSGSA-N 1 3 315.461 2.170 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CC(C)(C)C1)N(C)C ZINC001034974182 690001880 /nfs/dbraw/zinc/00/18/80/690001880.db2.gz FOZATJOUJICEDN-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[C@H](N)C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000877227008 690050341 /nfs/dbraw/zinc/05/03/41/690050341.db2.gz LGRIZTABVMJPBU-KRWDZBQOSA-N 1 3 317.477 2.140 20 0 DEADHO CC[C@@H](C(=O)N1CCC2(CC[N@H+](CC3CC3)C2)CC1)N(C)C ZINC001035229573 690066943 /nfs/dbraw/zinc/06/69/43/690066943.db2.gz RPJMXGZVZNABDX-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](C(=O)N1CCC2(CC[N@@H+](CC3CC3)C2)CC1)N(C)C ZINC001035229573 690066944 /nfs/dbraw/zinc/06/69/44/690066944.db2.gz RPJMXGZVZNABDX-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001035231756 690067966 /nfs/dbraw/zinc/06/79/66/690067966.db2.gz QLMXDLKVRQHZOI-HNNXBMFYSA-N 1 3 318.465 2.313 20 0 DEADHO CC[C@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001035231756 690067967 /nfs/dbraw/zinc/06/79/67/690067967.db2.gz QLMXDLKVRQHZOI-HNNXBMFYSA-N 1 3 318.465 2.313 20 0 DEADHO [NH3+][C@H](CC1CCCCC1)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000877341554 690081402 /nfs/dbraw/zinc/08/14/02/690081402.db2.gz UNAWCRYXPXUWDM-QZTJIDSGSA-N 1 3 315.461 2.115 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@]3(C)C=CCC3)CC2)CC1 ZINC000931216361 694342382 /nfs/dbraw/zinc/34/23/82/694342382.db2.gz GCWKHCSXWNZROU-SFHVURJKSA-N 1 3 305.466 2.018 20 0 DEADHO CC1CC(C[NH+]2CC3(C2)CCN(C(=O)[C@H]2CCCN2C)CC3)C1 ZINC001035668539 690147533 /nfs/dbraw/zinc/14/75/33/690147533.db2.gz HQVFBRFUXACYJK-OFLPRAFFSA-N 1 3 319.493 2.051 20 0 DEADHO CC(C)=CCN1CC2(C1)CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001035834912 690188393 /nfs/dbraw/zinc/18/83/93/690188393.db2.gz PVGLXFMXZGYHAS-KRWDZBQOSA-N 1 3 319.493 2.219 20 0 DEADHO CC(C)=CCN1CC2(C1)CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)CC2 ZINC001035834912 690188396 /nfs/dbraw/zinc/18/83/96/690188396.db2.gz PVGLXFMXZGYHAS-KRWDZBQOSA-N 1 3 319.493 2.219 20 0 DEADHO CC(C)CC[NH+]1CC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001035851585 690193497 /nfs/dbraw/zinc/19/34/97/690193497.db2.gz SFNMZEVPQOKULF-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO CN1CC[NH+](C2CCN(Cc3ccc4cnccc4c3)CC2)CC1 ZINC000877746271 690213843 /nfs/dbraw/zinc/21/38/43/690213843.db2.gz KIAJRWYLBCRXHZ-UHFFFAOYSA-N 1 3 324.472 2.447 20 0 DEADHO CC[NH2+][C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC001036304469 690315677 /nfs/dbraw/zinc/31/56/77/690315677.db2.gz QVBRQBHUJHBNDG-WMLDXEAASA-N 1 3 303.450 2.208 20 0 DEADHO C[C@@H]([NH2+]CC1CC1)[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001036462528 690355536 /nfs/dbraw/zinc/35/55/36/690355536.db2.gz WKLTZYUYFNBUMM-AEFFLSMTSA-N 1 3 321.509 2.345 20 0 DEADHO CN(CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCC2CC2)C1)C1CCC1 ZINC001036737226 690453255 /nfs/dbraw/zinc/45/32/55/690453255.db2.gz NFZCROBCGJKPTO-WMZOPIPTSA-N 1 3 319.493 2.194 20 0 DEADHO CN(CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCC2CC2)C1)C1CCC1 ZINC001036737226 690453257 /nfs/dbraw/zinc/45/32/57/690453257.db2.gz NFZCROBCGJKPTO-WMZOPIPTSA-N 1 3 319.493 2.194 20 0 DEADHO CN(CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC2CCC2)C1)C1CCC1 ZINC001036737979 690453824 /nfs/dbraw/zinc/45/38/24/690453824.db2.gz ZASIPNKIZDEUDK-AEFFLSMTSA-N 1 3 319.493 2.194 20 0 DEADHO CN(CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC2CCC2)C1)C1CCC1 ZINC001036737979 690453826 /nfs/dbraw/zinc/45/38/26/690453826.db2.gz ZASIPNKIZDEUDK-AEFFLSMTSA-N 1 3 319.493 2.194 20 0 DEADHO CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001037119983 690573630 /nfs/dbraw/zinc/57/36/30/690573630.db2.gz FIQDLORHJZDRQN-SJORKVTESA-N 1 3 303.450 2.256 20 0 DEADHO CNC(=O)c1cccc(CN2CCC3(CC2)CC[NH+](C)CC3)c1 ZINC000879248499 690602602 /nfs/dbraw/zinc/60/26/02/690602602.db2.gz UHKPUKGOZCMTHF-UHFFFAOYSA-N 1 3 315.461 2.354 20 0 DEADHO CC[NH2+][C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1CC ZINC001037853451 690623698 /nfs/dbraw/zinc/62/36/98/690623698.db2.gz IUTXCLHNDKZMAA-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CCC1CC1 ZINC001037859675 690625644 /nfs/dbraw/zinc/62/56/44/690625644.db2.gz KUWKMCDPECXUET-WMZOPIPTSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CC(C)C ZINC001037859381 690625756 /nfs/dbraw/zinc/62/57/56/690625756.db2.gz IOXXJIQHWNHRHR-DOTOQJQBSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1[NH2+]C(C)C ZINC001037924794 690641386 /nfs/dbraw/zinc/64/13/86/690641386.db2.gz BJODJJSPYDUXRW-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1ccccc1OCC[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000879591260 690682947 /nfs/dbraw/zinc/68/29/47/690682947.db2.gz SHCAOEUMNMWFME-UHFFFAOYSA-N 1 3 317.477 2.086 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2CCCC2CCC2)CC[N@@H+]1C ZINC001038272687 690764901 /nfs/dbraw/zinc/76/49/01/690764901.db2.gz KTIDVNGRPQFQDA-FGTMMUONSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2CCCC2CCC2)CC[N@H+]1C ZINC001038272687 690764903 /nfs/dbraw/zinc/76/49/03/690764903.db2.gz KTIDVNGRPQFQDA-FGTMMUONSA-N 1 3 321.509 2.488 20 0 DEADHO O=C(NC[C@@H]1CCN1CCC1CC1)C1CC[NH+](CC2CC2)CC1 ZINC001038895898 690959374 /nfs/dbraw/zinc/95/93/74/690959374.db2.gz HXSPZLFKPHNQMO-SFHVURJKSA-N 1 3 319.493 2.099 20 0 DEADHO CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039237496 691064031 /nfs/dbraw/zinc/06/40/31/691064031.db2.gz INUBNLVBKKAMAK-HOCLYGCPSA-N 1 3 304.438 2.065 20 0 DEADHO CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039237496 691064034 /nfs/dbraw/zinc/06/40/34/691064034.db2.gz INUBNLVBKKAMAK-HOCLYGCPSA-N 1 3 304.438 2.065 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1[C@@H]1CC[N@@H+](CCCF)C1 ZINC001039236483 691064259 /nfs/dbraw/zinc/06/42/59/691064259.db2.gz CQYBWWVWWYFNIN-ZBFHGGJFSA-N 1 3 322.428 2.015 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1[C@@H]1CC[N@H+](CCCF)C1 ZINC001039236483 691064260 /nfs/dbraw/zinc/06/42/60/691064260.db2.gz CQYBWWVWWYFNIN-ZBFHGGJFSA-N 1 3 322.428 2.015 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[C@@H](C)C1 ZINC001039437169 691105852 /nfs/dbraw/zinc/10/58/52/691105852.db2.gz DOCVHOCKZRETKS-KURKYZTESA-N 1 3 319.493 2.360 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[C@@H](C)C1 ZINC001039437169 691105854 /nfs/dbraw/zinc/10/58/54/691105854.db2.gz DOCVHOCKZRETKS-KURKYZTESA-N 1 3 319.493 2.360 20 0 DEADHO CC[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CCC1CC1)C2)N(C)C ZINC001040260356 691222403 /nfs/dbraw/zinc/22/24/03/691222403.db2.gz CNTQXKCPAMRETK-IEBWSBKVSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC1CC1)C2)N(C)C ZINC001040260356 691222406 /nfs/dbraw/zinc/22/24/06/691222406.db2.gz CNTQXKCPAMRETK-IEBWSBKVSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000882486487 691293658 /nfs/dbraw/zinc/29/36/58/691293658.db2.gz RXHFYYVLYZMAEO-SJORKVTESA-N 1 3 303.450 2.280 20 0 DEADHO CC[C@H](C(=O)N1CC[C@]2(CC[N@H+](CCC3CC3)C2)C1)N(C)C ZINC001041404295 691371232 /nfs/dbraw/zinc/37/12/32/691371232.db2.gz RZBYJIOLRAIOSP-AEFFLSMTSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CCC3CC3)C2)C1)N(C)C ZINC001041404295 691371234 /nfs/dbraw/zinc/37/12/34/691371234.db2.gz RZBYJIOLRAIOSP-AEFFLSMTSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001041646428 691405025 /nfs/dbraw/zinc/40/50/25/691405025.db2.gz QRMJBYMAGWJKAX-AEFFLSMTSA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001041646428 691405026 /nfs/dbraw/zinc/40/50/26/691405026.db2.gz QRMJBYMAGWJKAX-AEFFLSMTSA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001041675186 691408926 /nfs/dbraw/zinc/40/89/26/691408926.db2.gz NWFVQAHJCSDWIF-MJGOQNOKSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)CC[N@H+]1CC[C@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001041675186 691408931 /nfs/dbraw/zinc/40/89/31/691408931.db2.gz NWFVQAHJCSDWIF-MJGOQNOKSA-N 1 3 321.509 2.441 20 0 DEADHO COC[C@H](NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCCOC1 ZINC000883173384 691447855 /nfs/dbraw/zinc/44/78/55/691447855.db2.gz JWBQMEAAJUDXKF-MHORFTMASA-N 1 3 312.498 2.386 20 0 DEADHO COC[C@H](NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCCOC1 ZINC000883173384 691447858 /nfs/dbraw/zinc/44/78/58/691447858.db2.gz JWBQMEAAJUDXKF-MHORFTMASA-N 1 3 312.498 2.386 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@H]21 ZINC001042312982 691566673 /nfs/dbraw/zinc/56/66/73/691566673.db2.gz GWPPOTAHQVGEKW-ZIAGYGMSSA-N 1 3 304.438 2.020 20 0 DEADHO CCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@H]21 ZINC001042312982 691566676 /nfs/dbraw/zinc/56/66/76/691566676.db2.gz GWPPOTAHQVGEKW-ZIAGYGMSSA-N 1 3 304.438 2.020 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])CC2CC2)N2CCCC2)cc1 ZINC000884203737 691681565 /nfs/dbraw/zinc/68/15/65/691681565.db2.gz CXZPPWBNTJQKPH-ZWKOTPCHSA-N 1 3 315.461 2.376 20 0 DEADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H](N)CC3CC3)C2)CC1 ZINC000884204988 691682326 /nfs/dbraw/zinc/68/23/26/691682326.db2.gz JODJAVMTSJNSPZ-IAGOWNOFSA-N 1 3 307.482 2.084 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(F)c1)N(C)C ZINC001045090116 691936918 /nfs/dbraw/zinc/93/69/18/691936918.db2.gz UMBGJWBRBKXCRD-DLBZAZTESA-N 1 3 321.440 2.247 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]2C[NH2+]Cc2ccccc2)C1 ZINC001045199810 691951540 /nfs/dbraw/zinc/95/15/40/691951540.db2.gz JAXVGVPBBDKUGG-AEFFLSMTSA-N 1 3 315.461 2.109 20 0 DEADHO CC1CC(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001045202843 691951609 /nfs/dbraw/zinc/95/16/09/691951609.db2.gz ZAKGHCYKYCFELD-JCYILVPMSA-N 1 3 321.509 2.345 20 0 DEADHO CC1CCN(CCC[NH2+][C@H]2CCOC3(CCOCC3)C2)CC1 ZINC000885903346 691960727 /nfs/dbraw/zinc/96/07/27/691960727.db2.gz NCVHSMSOUMQAJG-KRWDZBQOSA-N 1 3 310.482 2.426 20 0 DEADHO CC(C)[NH2+]C[C@@H]1CCCN1C(=O)c1ccccc1CN(C)C ZINC001045321510 691963170 /nfs/dbraw/zinc/96/31/70/691963170.db2.gz TYIWAZNGCFDNSN-INIZCTEOSA-N 1 3 303.450 2.351 20 0 DEADHO C[C@@H]1OC[C@]2(CC[C@H](CN[C@@H]3CC[N@H+](C)C(C)(C)C3)O2)[C@H]1C ZINC000886336124 692060137 /nfs/dbraw/zinc/06/01/37/692060137.db2.gz MYEQVPNYXDLJEF-ZNFSNMQZSA-N 1 3 310.482 2.421 20 0 DEADHO C[C@@H]1OC[C@]2(CC[C@H](CN[C@@H]3CC[N@@H+](C)C(C)(C)C3)O2)[C@H]1C ZINC000886336124 692060141 /nfs/dbraw/zinc/06/01/41/692060141.db2.gz MYEQVPNYXDLJEF-ZNFSNMQZSA-N 1 3 310.482 2.421 20 0 DEADHO C(CN1CC[C@@H]([C@H]2CCCO2)C1)C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886822384 692201634 /nfs/dbraw/zinc/20/16/34/692201634.db2.gz PYQIFJIRFYMNSQ-MKXGPGLRSA-N 1 3 322.493 2.378 20 0 DEADHO C(CN1CC[C@@H]([C@H]2CCCO2)C1)C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886822384 692201637 /nfs/dbraw/zinc/20/16/37/692201637.db2.gz PYQIFJIRFYMNSQ-MKXGPGLRSA-N 1 3 322.493 2.378 20 0 DEADHO C(CN1CC[C@@H]([C@@H]2CCCO2)C1)C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886822384 692201639 /nfs/dbraw/zinc/20/16/39/692201639.db2.gz PYQIFJIRFYMNSQ-MKXGPGLRSA-N 1 3 322.493 2.378 20 0 DEADHO C(CN1CC[C@@H]([C@@H]2CCCO2)C1)C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886822384 692201642 /nfs/dbraw/zinc/20/16/42/692201642.db2.gz PYQIFJIRFYMNSQ-MKXGPGLRSA-N 1 3 322.493 2.378 20 0 DEADHO CC(C)=CCN1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001046568913 692226970 /nfs/dbraw/zinc/22/69/70/692226970.db2.gz DBEWCUGQOZAIBC-XYJFISCASA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)=CCN1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001046568913 692226973 /nfs/dbraw/zinc/22/69/73/692226973.db2.gz DBEWCUGQOZAIBC-XYJFISCASA-N 1 3 307.482 2.264 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C[NH2+]CC1CCCC1 ZINC001048279230 692589904 /nfs/dbraw/zinc/58/99/04/692589904.db2.gz HSWHPLGYEYLNIM-WBVHZDCISA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]CC1CCC1 ZINC001048415155 692614412 /nfs/dbraw/zinc/61/44/12/692614412.db2.gz AGHOQAXIHIZXCQ-SJLPKXTDSA-N 1 3 321.509 2.203 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N2C[C@H](N(C)C)Cc3ccccc32)CC[N@@H+]1C ZINC000888874745 692621086 /nfs/dbraw/zinc/62/10/86/692621086.db2.gz WHVVBKVIAHRTOB-BHYGNILZSA-N 1 3 315.461 2.236 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N2C[C@H](N(C)C)Cc3ccccc32)CC[N@H+]1C ZINC000888874745 692621089 /nfs/dbraw/zinc/62/10/89/692621089.db2.gz WHVVBKVIAHRTOB-BHYGNILZSA-N 1 3 315.461 2.236 20 0 DEADHO C[NH+](C)CCCC(=O)NCC1(C)CCN(C/C=C/Cl)CC1 ZINC001375925630 1158987257 /nfs/dbraw/zinc/98/72/57/1158987257.db2.gz WJTIIRKQLQTTTE-WEVVVXLNSA-N 1 3 315.889 2.299 20 0 DEADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1)CN1CCCC1 ZINC000924714093 693175656 /nfs/dbraw/zinc/17/56/56/693175656.db2.gz HVYFAKQDAFARLU-BPQIPLTHSA-N 1 3 304.482 2.453 20 0 DEADHO CC(C)CCN1CCC([NH2+]CCN2CCOC(C)(C)C2)CC1 ZINC000924963351 693207142 /nfs/dbraw/zinc/20/71/42/693207142.db2.gz XVIPTRCQWAIZNF-UHFFFAOYSA-N 1 3 311.514 2.197 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C1)CC[NH+](CC1CCCC1)CC2)N(C)C ZINC001050667721 693228231 /nfs/dbraw/zinc/22/82/31/693228231.db2.gz DLCALLZUSXLFSU-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C1)CC[NH+](CC1CC(C)C1)CC2)N(C)C ZINC001050669157 693228290 /nfs/dbraw/zinc/22/82/90/693228290.db2.gz SRFSHUALJZVMEA-JCYILVPMSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc([O-])cc(F)c1 ZINC000925216782 693242876 /nfs/dbraw/zinc/24/28/76/693242876.db2.gz ULSSLOVCHDSCGC-CYBMUJFWSA-N 1 3 309.429 2.208 20 0 DEADHO C[C@@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000925491394 693281712 /nfs/dbraw/zinc/28/17/12/693281712.db2.gz CJHOJQQFFGXINY-CZUORRHYSA-N 1 3 301.434 2.162 20 0 DEADHO C(C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)COC[C@H]1CCOC1 ZINC000925523887 693288289 /nfs/dbraw/zinc/28/82/89/693288289.db2.gz VXWFAVGQNJTBDK-KBAYOESNSA-N 1 3 310.482 2.188 20 0 DEADHO CC1(C)[NH2+]CC[C@H]1NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000925649312 693316761 /nfs/dbraw/zinc/31/67/61/693316761.db2.gz DCTJGHHXKNODSU-ZWKOTPCHSA-N 1 3 317.477 2.008 20 0 DEADHO COC(=O)N1CCC(C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925670124 693321851 /nfs/dbraw/zinc/32/18/51/693321851.db2.gz HBWYNZMMWHKMPF-IRXDYDNUSA-N 1 3 323.481 2.223 20 0 DEADHO CC(C)(C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1)C(=O)N1CCCC1 ZINC000925720172 693329662 /nfs/dbraw/zinc/32/96/62/693329662.db2.gz XLERERHUQMZLSA-DLBZAZTESA-N 1 3 321.509 2.393 20 0 DEADHO Cn1cc(CC[NH2+][C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)c2cccnc21 ZINC000925728382 693330774 /nfs/dbraw/zinc/33/07/74/693330774.db2.gz UDOGNTCADACPAA-IKGGRYGDSA-N 1 3 312.461 2.482 20 0 DEADHO CC1(C)[C@H](NC[C@H]2CC[C@@H](C(F)(F)F)O2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925805947 693345457 /nfs/dbraw/zinc/34/54/57/693345457.db2.gz MUVIOPAXQHBANJ-NAWOPXAZSA-N 1 3 306.372 2.463 20 0 DEADHO Cc1cc([C@H](C)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c(C)o1 ZINC000925854740 693354463 /nfs/dbraw/zinc/35/44/63/693354463.db2.gz SJXKIBXYOBPSGR-JSGCOSHPSA-N 1 3 306.406 2.232 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000925936940 693369324 /nfs/dbraw/zinc/36/93/24/693369324.db2.gz CXBQBSARVCQHLJ-OCCSQVGLSA-N 1 3 320.437 2.006 20 0 DEADHO C[C@@H]([NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1)c1cnnn1C ZINC000926353334 693436390 /nfs/dbraw/zinc/43/63/90/693436390.db2.gz KONGFJKEAUTWRF-CRAIPNDOSA-N 1 3 313.449 2.378 20 0 DEADHO CC[C@H]1COC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000926695242 693493811 /nfs/dbraw/zinc/49/38/11/693493811.db2.gz ZGFBEVHVMVBJFU-ZWKOTPCHSA-N 1 3 303.450 2.308 20 0 DEADHO C([NH2+][C@H]1CCOC12CCOCC2)[C@H]1CCCN(CC2CC2)C1 ZINC000926739692 693501774 /nfs/dbraw/zinc/50/17/74/693501774.db2.gz XJVVFNRZIZJHAM-SJORKVTESA-N 1 3 308.466 2.036 20 0 DEADHO CC(C)CCN1CCC([NH2+][C@@H]2C[C@@H](O)C23CCOCC3)CC1 ZINC000926872776 693522526 /nfs/dbraw/zinc/52/25/26/693522526.db2.gz AKLUFYGKFAMJRX-IAGOWNOFSA-N 1 3 310.482 2.017 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2CCC[N@H+](CC3CCCC3)CC2)C1 ZINC001052703219 693598920 /nfs/dbraw/zinc/59/89/20/693598920.db2.gz RLBNUQZQQWLLGJ-AEFFLSMTSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2CCC[N@@H+](CC3CCCC3)CC2)C1 ZINC001052703219 693598923 /nfs/dbraw/zinc/59/89/23/693598923.db2.gz RLBNUQZQQWLLGJ-AEFFLSMTSA-N 1 3 321.509 2.489 20 0 DEADHO CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099221 693689018 /nfs/dbraw/zinc/68/90/18/693689018.db2.gz SQUHNBSWCMTXAW-HOCLYGCPSA-N 1 3 304.438 2.065 20 0 DEADHO CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099221 693689022 /nfs/dbraw/zinc/68/90/22/693689022.db2.gz SQUHNBSWCMTXAW-HOCLYGCPSA-N 1 3 304.438 2.065 20 0 DEADHO CC(C)=CCN(C)CCN(C(=O)C1(C[NH+](C)C)CC1)C(C)C ZINC001332724224 1149884898 /nfs/dbraw/zinc/88/48/98/1149884898.db2.gz SEDPQQYQYRRDCF-UHFFFAOYSA-N 1 3 309.498 2.463 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)C2)CCC1 ZINC001402606581 1162408109 /nfs/dbraw/zinc/40/81/09/1162408109.db2.gz XVGXIBNTOZLBFF-JJTUDDRGSA-N 1 3 319.493 2.144 20 0 DEADHO CN1CCN(CCCNc2cc[nH+]cc2)[C@@H](c2ccccc2)C1 ZINC001354011949 1151867052 /nfs/dbraw/zinc/86/70/52/1151867052.db2.gz NQFNOLPUFNQIGE-LJQANCHMSA-N 1 3 310.445 2.294 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CC1)N(C)C ZINC001380160812 1152759683 /nfs/dbraw/zinc/75/96/83/1152759683.db2.gz QBMLGGOYLICUGC-HOCLYGCPSA-N 1 3 303.450 2.326 20 0 DEADHO CN(CC(=O)NC1(C)CC[NH+](CCCF)CC1)CC(C)(C)C ZINC001380314930 1152786993 /nfs/dbraw/zinc/78/69/93/1152786993.db2.gz MZFQATCCOPMTFH-UHFFFAOYSA-N 1 3 315.477 2.295 20 0 DEADHO CC[C@@H](C)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001381012096 1152892253 /nfs/dbraw/zinc/89/22/53/1152892253.db2.gz NSQACLCAHAHHFB-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC001381226016 1152960234 /nfs/dbraw/zinc/96/02/34/1152960234.db2.gz HDICCOIGHXNRIJ-LBPRGKRZSA-N 1 3 318.396 2.084 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@@H]1c2ccccc2CCN1C(C)C ZINC001381244241 1152965882 /nfs/dbraw/zinc/96/58/82/1152965882.db2.gz BEXXVLWPCMPAAZ-GOSISDBHSA-N 1 3 317.477 2.452 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1c2ccccc2CCN1C(C)C ZINC001381244241 1152965886 /nfs/dbraw/zinc/96/58/86/1152965886.db2.gz BEXXVLWPCMPAAZ-GOSISDBHSA-N 1 3 317.477 2.452 20 0 DEADHO Cc1ccc(F)c(CN[C@@H](C)[C@H](C)NC(=O)CCC[NH+](C)C)c1 ZINC001381422432 1153052380 /nfs/dbraw/zinc/05/23/80/1153052380.db2.gz VJGIPUVIANFVHF-GJZGRUSLSA-N 1 3 323.456 2.459 20 0 DEADHO Cc1cccc(CN(C)[C@H](C)CNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001381572517 1153134919 /nfs/dbraw/zinc/13/49/19/1153134919.db2.gz KJWIGQKTHAELEQ-MRXNPFEDSA-N 1 3 317.477 2.273 20 0 DEADHO CC1CC[NH+](CC[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)CC1 ZINC001363173473 1153253888 /nfs/dbraw/zinc/25/38/88/1153253888.db2.gz KIGHTLRLANTZRU-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001381906232 1153270229 /nfs/dbraw/zinc/27/02/29/1153270229.db2.gz RMWRAUXYDYYJLY-XLAORIBOSA-N 1 3 321.509 2.201 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001381906232 1153270236 /nfs/dbraw/zinc/27/02/36/1153270236.db2.gz RMWRAUXYDYYJLY-XLAORIBOSA-N 1 3 321.509 2.201 20 0 DEADHO C[C@@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccsc1 ZINC001382125495 1153368307 /nfs/dbraw/zinc/36/83/07/1153368307.db2.gz PZSYSLIPVPLKOI-KBPBESRZSA-N 1 3 309.479 2.026 20 0 DEADHO CC[NH+](CC)[C@H](C(=O)N1CC(N2CCCC2)C1)c1ccccc1 ZINC001363474353 1153425040 /nfs/dbraw/zinc/42/50/40/1153425040.db2.gz NSBYRFWYNVEIDP-SFHVURJKSA-N 1 3 315.461 2.376 20 0 DEADHO CN1C[C@@H]2CC[C@@H]([NH2+]CC3(CNC(=O)OC(C)(C)C)CC3)[C@@H]2C1 ZINC001363691390 1153558083 /nfs/dbraw/zinc/55/80/83/1153558083.db2.gz ZWDFWCFEVKSLOL-RRFJBIMHSA-N 1 3 323.481 2.221 20 0 DEADHO CC[C@H](F)CN[C@@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001403067791 1162686814 /nfs/dbraw/zinc/68/68/14/1162686814.db2.gz JYURUDPYAAIJBG-BBRMVZONSA-N 1 3 309.429 2.204 20 0 DEADHO O=C(CCC[NH+]1CCCCC1)N1CC[C@H](NC/C=C/Cl)C1 ZINC001389817064 1155440440 /nfs/dbraw/zinc/44/04/40/1155440440.db2.gz CREDXLQLMFGIOG-PXTSUWAFSA-N 1 3 313.873 2.196 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2C)C1)N(C)C ZINC001390011626 1155499395 /nfs/dbraw/zinc/49/93/95/1155499395.db2.gz QLKRUCODUGKHRC-BBWFWOEESA-N 1 3 321.440 2.211 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C1)N(C)C ZINC001390012819 1155499633 /nfs/dbraw/zinc/49/96/33/1155499633.db2.gz SVXGDMPCLJGZEE-VZEFYGNVSA-N 1 3 321.440 2.464 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)CC(C)C)C[C@H]21)N(C)C ZINC001371037380 1155665946 /nfs/dbraw/zinc/66/59/46/1155665946.db2.gz SPHDOHFNZVCJOD-NRKLIOEPSA-N 1 3 309.498 2.055 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)CC(C)C)C[C@H]21)N(C)C ZINC001371037380 1155665950 /nfs/dbraw/zinc/66/59/50/1155665950.db2.gz SPHDOHFNZVCJOD-NRKLIOEPSA-N 1 3 309.498 2.055 20 0 DEADHO Cc1cc(C)cc(C[NH2+][C@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001390391185 1155695589 /nfs/dbraw/zinc/69/55/89/1155695589.db2.gz ACVUADIHMZOANL-MRXNPFEDSA-N 1 3 317.477 2.382 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC001390531967 1155796880 /nfs/dbraw/zinc/79/68/80/1155796880.db2.gz FXZYZHHCKGXBPS-RHSMWYFYSA-N 1 3 303.450 2.108 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H](C)NC/C=C/Cl)[NH+]1CCCCC1 ZINC001390538139 1155799265 /nfs/dbraw/zinc/79/92/65/1155799265.db2.gz NAFHESYNHROHKV-FHFZEBMASA-N 1 3 315.889 2.344 20 0 DEADHO CC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccccc1C)N(C)C ZINC001390711787 1155846463 /nfs/dbraw/zinc/84/64/63/1155846463.db2.gz GRYMSWREQIQUCQ-NVXWUHKLSA-N 1 3 305.466 2.320 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](CC)C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001390966383 1156015894 /nfs/dbraw/zinc/01/58/94/1156015894.db2.gz RQBAXXQTSDVRDR-KGLIPLIRSA-N 1 3 319.440 2.200 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](CC)C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001390966383 1156015898 /nfs/dbraw/zinc/01/58/98/1156015898.db2.gz RQBAXXQTSDVRDR-KGLIPLIRSA-N 1 3 319.440 2.200 20 0 DEADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1cc(C)sc1C ZINC001391025864 1156054631 /nfs/dbraw/zinc/05/46/31/1156054631.db2.gz RVWVCYFJOFTVTK-HNNXBMFYSA-N 1 3 323.506 2.255 20 0 DEADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1cc(C)sc1C ZINC001391025864 1156054634 /nfs/dbraw/zinc/05/46/34/1156054634.db2.gz RVWVCYFJOFTVTK-HNNXBMFYSA-N 1 3 323.506 2.255 20 0 DEADHO CC1CC(C[N@H+](C)CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001371974835 1156092977 /nfs/dbraw/zinc/09/29/77/1156092977.db2.gz XDKYTUCCBWEEPP-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CC1CC(C[N@@H+](C)CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001371974835 1156092981 /nfs/dbraw/zinc/09/29/81/1156092981.db2.gz XDKYTUCCBWEEPP-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CCC(CC)C[N@@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001391090829 1156097065 /nfs/dbraw/zinc/09/70/65/1156097065.db2.gz BUHCBDYAWWMPKP-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CCC(CC)C[N@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001391090829 1156097072 /nfs/dbraw/zinc/09/70/72/1156097072.db2.gz BUHCBDYAWWMPKP-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CN(CCF)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001391351634 1156351710 /nfs/dbraw/zinc/35/17/10/1156351710.db2.gz WPAAFBGOSGSMRV-OAHLLOKOSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccc(C)cc1 ZINC001391720092 1156736300 /nfs/dbraw/zinc/73/63/00/1156736300.db2.gz LSSCGALCRRBDBX-AEFFLSMTSA-N 1 3 317.477 2.321 20 0 DEADHO CCCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1cccc(F)c1 ZINC001372749729 1156737128 /nfs/dbraw/zinc/73/71/28/1156737128.db2.gz UETHRIPVESTAEJ-INIZCTEOSA-N 1 3 321.440 2.106 20 0 DEADHO CCCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1cccc(F)c1 ZINC001372749729 1156737144 /nfs/dbraw/zinc/73/71/44/1156737144.db2.gz UETHRIPVESTAEJ-INIZCTEOSA-N 1 3 321.440 2.106 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC(C)C2)CC1)N(C)C ZINC001391831290 1156812057 /nfs/dbraw/zinc/81/20/57/1156812057.db2.gz HZKLQCORKMZETM-YOTSKQKMSA-N 1 3 309.498 2.390 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)c1cccc(F)c1)N(C)C ZINC001372953117 1156827609 /nfs/dbraw/zinc/82/76/09/1156827609.db2.gz YNSGEVSFQSOANT-BBRMVZONSA-N 1 3 309.429 2.275 20 0 DEADHO CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001373035838 1156843645 /nfs/dbraw/zinc/84/36/45/1156843645.db2.gz QKWOSTKRQXTBQY-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](F)CC[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCCC1 ZINC001392006768 1156848257 /nfs/dbraw/zinc/84/82/57/1156848257.db2.gz CTTNYEYSKBTGOW-CQSZACIVSA-N 1 3 313.461 2.237 20 0 DEADHO Cc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001392048624 1156857007 /nfs/dbraw/zinc/85/70/07/1156857007.db2.gz HVKISOMZIBNAOF-RDJZCZTQSA-N 1 3 303.450 2.026 20 0 DEADHO CCc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCN2C)c1 ZINC001392053682 1156858400 /nfs/dbraw/zinc/85/84/00/1156858400.db2.gz VUVWOVYFVFJSBX-CRAIPNDOSA-N 1 3 317.477 2.280 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccsc1)N(C)C ZINC001392133071 1156873562 /nfs/dbraw/zinc/87/35/62/1156873562.db2.gz NPMBIFSWHDHJPU-ZFWWWQNUSA-N 1 3 311.495 2.271 20 0 DEADHO Cc1cc(C)cc(CN(C)CCN(C)C(=O)CC[NH+](C)C)c1 ZINC001392305396 1157007149 /nfs/dbraw/zinc/00/71/49/1157007149.db2.gz VFGKOFPWELWVBT-UHFFFAOYSA-N 1 3 305.466 2.145 20 0 DEADHO Cc1cccc(C)c1C[NH2+]C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001392482832 1157068970 /nfs/dbraw/zinc/06/89/70/1157068970.db2.gz VFDDJBCJMUDSNZ-MRXNPFEDSA-N 1 3 317.477 2.382 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1(C[NH2+]CC2CCC2)CCCCC1 ZINC001403271011 1162833419 /nfs/dbraw/zinc/83/34/19/1162833419.db2.gz WVAKWHLLTHNVES-UHFFFAOYSA-N 1 3 318.465 2.469 20 0 DEADHO CC[C@@H](C(=O)NCC1C[NH+]([C@H](C)c2ccccc2)C1)N(C)C ZINC001373548740 1157090823 /nfs/dbraw/zinc/09/08/23/1157090823.db2.gz CHVBLGAJTNDPOW-PBHICJAKSA-N 1 3 303.450 2.136 20 0 DEADHO CC(C)[C@H](C(=O)NCC1CN([C@@H](C)c2ccccc2)C1)[NH+](C)C ZINC001373547706 1157091570 /nfs/dbraw/zinc/09/15/70/1157091570.db2.gz WAIXXBYSAYUTKZ-MAUKXSAKSA-N 1 3 317.477 2.382 20 0 DEADHO C[C@@H](CNCc1ccccc1F)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001392582247 1157163993 /nfs/dbraw/zinc/16/39/93/1157163993.db2.gz GFPUGZMGVVIUED-AWEZNQCLSA-N 1 3 321.440 2.294 20 0 DEADHO CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NCC=C(Cl)Cl ZINC001373795749 1157370521 /nfs/dbraw/zinc/37/05/21/1157370521.db2.gz ZDZVURBTYTWGDO-LLVKDONJSA-N 1 3 322.280 2.132 20 0 DEADHO CC(C)CC[N@@H+]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001403360641 1162862902 /nfs/dbraw/zinc/86/29/02/1162862902.db2.gz NSLGSBGVPPHAPP-HOTGVXAUSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)CC[N@H+]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001403360641 1162862905 /nfs/dbraw/zinc/86/29/05/1162862905.db2.gz NSLGSBGVPPHAPP-HOTGVXAUSA-N 1 3 311.514 2.445 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1csc(C)c1 ZINC001373970866 1157507944 /nfs/dbraw/zinc/50/79/44/1157507944.db2.gz JWZQGXQRVNYNKY-MRXNPFEDSA-N 1 3 323.506 2.479 20 0 DEADHO CC[C@H](C(=O)NC1(C)CC[NH+](CC2CC(C)C2)CC1)N(C)C ZINC001393071942 1157656831 /nfs/dbraw/zinc/65/68/31/1157656831.db2.gz ZHSNDQBUPCEOIR-UYSNPLJNSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccsc2)C1 ZINC001393157889 1157727425 /nfs/dbraw/zinc/72/74/25/1157727425.db2.gz GHDOHFJDSGGFLO-KRWDZBQOSA-N 1 3 323.506 2.418 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](C)CCC(C)(C)C)CC1 ZINC001403473997 1162894137 /nfs/dbraw/zinc/89/41/37/1162894137.db2.gz WZOGCKDJZVEIGU-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)CCC(C)(C)C)CC1 ZINC001403473997 1162894138 /nfs/dbraw/zinc/89/41/38/1162894138.db2.gz WZOGCKDJZVEIGU-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001374322891 1157812498 /nfs/dbraw/zinc/81/24/98/1157812498.db2.gz UPOYJRBYDYGMBR-WMLDXEAASA-N 1 3 323.456 2.348 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[N@H+](C)[C@H]1CCc2ccccc21)N(C)C ZINC001374534875 1157891339 /nfs/dbraw/zinc/89/13/39/1157891339.db2.gz RPEWVXWCEHRSNA-ROUUACIJSA-N 1 3 317.477 2.404 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)[C@H]1CCc2ccccc21)N(C)C ZINC001374534875 1157891340 /nfs/dbraw/zinc/89/13/40/1157891340.db2.gz RPEWVXWCEHRSNA-ROUUACIJSA-N 1 3 317.477 2.404 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(Cl)s1 ZINC001374962914 1158133482 /nfs/dbraw/zinc/13/34/82/1158133482.db2.gz NPVVVLLWMRPUOB-NSHDSACASA-N 1 3 317.886 2.338 20 0 DEADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)Cc1ccc(F)cc1 ZINC001394063010 1158226450 /nfs/dbraw/zinc/22/64/50/1158226450.db2.gz SNJPGBSECYYWNG-JJRVBVJISA-N 1 3 321.440 2.102 20 0 DEADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)Cc1ccc(F)cc1 ZINC001394063010 1158226464 /nfs/dbraw/zinc/22/64/64/1158226464.db2.gz SNJPGBSECYYWNG-JJRVBVJISA-N 1 3 321.440 2.102 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[N@H+](C)CC1CC(C)(C)C1 ZINC001394131028 1158324767 /nfs/dbraw/zinc/32/47/67/1158324767.db2.gz LLUORGUNEWLRRF-GFCCVEGCSA-N 1 3 306.454 2.133 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[N@@H+](C)CC1CC(C)(C)C1 ZINC001394131028 1158324774 /nfs/dbraw/zinc/32/47/74/1158324774.db2.gz LLUORGUNEWLRRF-GFCCVEGCSA-N 1 3 306.454 2.133 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@H+](C)CCc1ccccc1 ZINC001394139561 1158331905 /nfs/dbraw/zinc/33/19/05/1158331905.db2.gz OQIRKQLOMSPTKT-MRXNPFEDSA-N 1 3 305.466 2.006 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@@H+](C)CCc1ccccc1 ZINC001394139561 1158331915 /nfs/dbraw/zinc/33/19/15/1158331915.db2.gz OQIRKQLOMSPTKT-MRXNPFEDSA-N 1 3 305.466 2.006 20 0 DEADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001394544595 1158625369 /nfs/dbraw/zinc/62/53/69/1158625369.db2.gz UOQSERKBUZLESB-AWEZNQCLSA-N 1 3 309.429 2.104 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CCC3)[C@@H]2C1 ZINC001394681048 1158671446 /nfs/dbraw/zinc/67/14/46/1158671446.db2.gz CMGCBBRFLSEQJZ-RCCFBDPRSA-N 1 3 321.509 2.343 20 0 DEADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]CC2CC(C)(C)C2)C1 ZINC001394856976 1158815513 /nfs/dbraw/zinc/81/55/13/1158815513.db2.gz KVJBSGLWBYZAGS-UHFFFAOYSA-N 1 3 309.498 2.343 20 0 DEADHO O=C(CCC[NH+]1CCCC1)N1CCCCC[C@@H](NCCF)C1 ZINC001375653070 1158838151 /nfs/dbraw/zinc/83/81/51/1158838151.db2.gz STHRMWJLOXWPOC-MRXNPFEDSA-N 1 3 313.461 2.193 20 0 DEADHO CC(C)C[C@H](C)C[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001375759275 1158863255 /nfs/dbraw/zinc/86/32/55/1158863255.db2.gz GFCOLSPINZWHOX-GOEBONIOSA-N 1 3 306.454 2.215 20 0 DEADHO CC[C@H](C)C[NH2+]C[C@@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001375873633 1158898933 /nfs/dbraw/zinc/89/89/33/1158898933.db2.gz DAMTZANANQAVNC-DOTOQJQBSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1csc(C)c1)N(C)C ZINC001403588741 1163026144 /nfs/dbraw/zinc/02/61/44/1163026144.db2.gz KATPLABOZZSDPP-WFASDCNBSA-N 1 3 311.495 2.333 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C)C1)N(C)C ZINC001376377633 1159372780 /nfs/dbraw/zinc/37/27/80/1159372780.db2.gz SXBITYZCQYRTIT-BRWVUGGUSA-N 1 3 303.450 2.072 20 0 DEADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CCC1CCCCC1 ZINC001403608962 1163046518 /nfs/dbraw/zinc/04/65/18/1163046518.db2.gz USCLZTZYQZUWCX-AWEZNQCLSA-N 1 3 306.454 2.359 20 0 DEADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1cccc(Cl)c1 ZINC001376746189 1159759766 /nfs/dbraw/zinc/75/97/66/1159759766.db2.gz ZTZXIYROSUZWMI-CYBMUJFWSA-N 1 3 323.868 2.419 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]Cc1cccc(F)c1)N(C)C ZINC001376801069 1159804688 /nfs/dbraw/zinc/80/46/88/1159804688.db2.gz KEBONYUGRYCEKK-XJKSGUPXSA-N 1 3 309.429 2.006 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc2c(c1)CCC2)N(C)C ZINC001376808905 1159808965 /nfs/dbraw/zinc/80/89/65/1159808965.db2.gz IOHUXGRYFJQNJW-KSSFIOAISA-N 1 3 317.477 2.110 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1)N(C)C ZINC001376858891 1159824994 /nfs/dbraw/zinc/82/49/94/1159824994.db2.gz VZLSQEIHHDZZGN-KDOFPFPSSA-N 1 3 317.477 2.499 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001376912398 1159843597 /nfs/dbraw/zinc/84/35/97/1159843597.db2.gz LHMJMQAQIYBKKF-SFHVURJKSA-N 1 3 317.477 2.498 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001376912398 1159843600 /nfs/dbraw/zinc/84/36/00/1159843600.db2.gz LHMJMQAQIYBKKF-SFHVURJKSA-N 1 3 317.477 2.498 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[C@H]([NH2+]CC2CC(C)C2)C1)N(C)C ZINC001397061375 1159931646 /nfs/dbraw/zinc/93/16/46/1159931646.db2.gz LICXLKVODKJKJJ-ZKLCHKPXSA-N 1 3 309.498 2.103 20 0 DEADHO CN1CCC[C@@H]1C(=O)NCC[N@H+](C)Cc1ccccc1C1CC1 ZINC001377208235 1160034631 /nfs/dbraw/zinc/03/46/31/1160034631.db2.gz YRMVAFUYGPJPSB-GOSISDBHSA-N 1 3 315.461 2.206 20 0 DEADHO CN1CCC[C@@H]1C(=O)NCC[N@@H+](C)Cc1ccccc1C1CC1 ZINC001377208235 1160034640 /nfs/dbraw/zinc/03/46/40/1160034640.db2.gz YRMVAFUYGPJPSB-GOSISDBHSA-N 1 3 315.461 2.206 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001377275193 1160101158 /nfs/dbraw/zinc/10/11/58/1160101158.db2.gz CSKPXKHBAXAQLF-WBVHZDCISA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C[C@@H]1CCN1CC1CC1)[NH+]1CCCCC1 ZINC001397579601 1160344206 /nfs/dbraw/zinc/34/42/06/1160344206.db2.gz NSGSBBSFMXIVHR-ROUUACIJSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)C[N@H+](CCNC(=O)[C@@H]1CCCCN1C(C)C)C1CC1 ZINC001377545594 1160533204 /nfs/dbraw/zinc/53/32/04/1160533204.db2.gz FUCIIEAHKFOBAA-KRWDZBQOSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[N@@H+](CCNC(=O)[C@@H]1CCCCN1C(C)C)C1CC1 ZINC001377545594 1160533212 /nfs/dbraw/zinc/53/32/12/1160533212.db2.gz FUCIIEAHKFOBAA-KRWDZBQOSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[N@H+](C)[C@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001378146959 1161056120 /nfs/dbraw/zinc/05/61/20/1161056120.db2.gz SFOCITAFMUOBJN-CJNGLKHVSA-N 1 3 301.450 2.044 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1cccc(F)c1)N(C)C ZINC001398943084 1161160882 /nfs/dbraw/zinc/16/08/82/1161160882.db2.gz KEBONYUGRYCEKK-BBRMVZONSA-N 1 3 309.429 2.006 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001398946661 1161163067 /nfs/dbraw/zinc/16/30/67/1161163067.db2.gz NKLCQKGWMKZLOZ-RDJZCZTQSA-N 1 3 305.466 2.176 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2csc(C)c2)C1 ZINC001399250797 1161302791 /nfs/dbraw/zinc/30/27/91/1161302791.db2.gz PZAYLKDQRXBSLY-HNNXBMFYSA-N 1 3 323.506 2.336 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H](C)CCNC(=O)C(C)(C)N1CCCCC1 ZINC001399324207 1161346949 /nfs/dbraw/zinc/34/69/49/1161346949.db2.gz XQMBWVYVCYFOEY-HUUCEWRRSA-N 1 3 315.477 2.483 20 0 DEADHO CCc1ccc(CN(C)CCNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001399571286 1161460596 /nfs/dbraw/zinc/46/05/96/1161460596.db2.gz OQBBHMWAFBECKX-UHFFFAOYSA-N 1 3 317.477 2.139 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2)C1 ZINC001400232723 1161694132 /nfs/dbraw/zinc/69/41/32/1161694132.db2.gz WBOKVIQWTOFAMI-SFHVURJKSA-N 1 3 317.477 2.309 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC001400232723 1161694133 /nfs/dbraw/zinc/69/41/33/1161694133.db2.gz WBOKVIQWTOFAMI-SFHVURJKSA-N 1 3 317.477 2.309 20 0 DEADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)NCCF ZINC001400806746 1161825144 /nfs/dbraw/zinc/82/51/44/1161825144.db2.gz PWKAHCFSSFKQDY-GJZGRUSLSA-N 1 3 313.461 2.095 20 0 DEADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)NCCF ZINC001400806746 1161825147 /nfs/dbraw/zinc/82/51/47/1161825147.db2.gz PWKAHCFSSFKQDY-GJZGRUSLSA-N 1 3 313.461 2.095 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](CC)[NH2+]CCC(F)(F)F ZINC001400807591 1161825627 /nfs/dbraw/zinc/82/56/27/1161825627.db2.gz VCCRPTLNTAJZMW-QWHCGFSZSA-N 1 3 323.403 2.298 20 0 DEADHO CCc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCN2C)cc1 ZINC001401210197 1161895193 /nfs/dbraw/zinc/89/51/93/1161895193.db2.gz ZDOFAEDXXTZRFP-QAPCUYQASA-N 1 3 317.477 2.280 20 0 DEADHO CC[N@H+](C)CCC(=O)N(C)[C@@H](C)CNCc1ccccc1F ZINC001401262867 1161909020 /nfs/dbraw/zinc/90/90/20/1161909020.db2.gz RCALYNRABIRVQK-AWEZNQCLSA-N 1 3 309.429 2.104 20 0 DEADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CNCc1ccccc1F ZINC001401262867 1161909023 /nfs/dbraw/zinc/90/90/23/1161909023.db2.gz RCALYNRABIRVQK-AWEZNQCLSA-N 1 3 309.429 2.104 20 0 DEADHO CN(CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC2CC2)C1)CC(C)(C)C ZINC001401496885 1162020976 /nfs/dbraw/zinc/02/09/76/1162020976.db2.gz PTGBBKVXXQRDFJ-IRXDYDNUSA-N 1 3 321.509 2.297 20 0 DEADHO CN(CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC2CC2)C1)CC(C)(C)C ZINC001401496885 1162020978 /nfs/dbraw/zinc/02/09/78/1162020978.db2.gz PTGBBKVXXQRDFJ-IRXDYDNUSA-N 1 3 321.509 2.297 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001401624970 1162050669 /nfs/dbraw/zinc/05/06/69/1162050669.db2.gz ILUKZHQBUNGMCA-CQSZACIVSA-N 1 3 321.440 2.213 20 0 DEADHO CC1CC(C[NH2+]C[C@H](NC(=O)C(C)(C)N2CCCC2)C2CC2)C1 ZINC001401848563 1162152906 /nfs/dbraw/zinc/15/29/06/1162152906.db2.gz LKLJOVOEBQYWPH-DQPZFDDXSA-N 1 3 321.509 2.391 20 0 DEADHO CC(C)[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C1CC1 ZINC001401872299 1162161587 /nfs/dbraw/zinc/16/15/87/1162161587.db2.gz NXESSBYVCHPZBN-SJORKVTESA-N 1 3 309.498 2.390 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]Cc2cc(C)ccc2C)CC1)N(C)C ZINC001401957548 1162196550 /nfs/dbraw/zinc/19/65/50/1162196550.db2.gz RPNNDEYELRLWBR-QGZVFWFLSA-N 1 3 317.477 2.382 20 0 DEADHO CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001402083373 1162240183 /nfs/dbraw/zinc/24/01/83/1162240183.db2.gz SOEJIPHCYTYAPO-GJZGRUSLSA-N 1 3 301.450 2.047 20 0 DEADHO CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001402083373 1162240186 /nfs/dbraw/zinc/24/01/86/1162240186.db2.gz SOEJIPHCYTYAPO-GJZGRUSLSA-N 1 3 301.450 2.047 20 0 DEADHO CCc1ccc(C[N@H+](C)CCNC(=O)CN(C)C(C)C)cc1 ZINC001403784620 1163181753 /nfs/dbraw/zinc/18/17/53/1163181753.db2.gz GKPAXBBDXDEAQW-UHFFFAOYSA-N 1 3 305.466 2.137 20 0 DEADHO CCc1ccc(C[N@@H+](C)CCNC(=O)CN(C)C(C)C)cc1 ZINC001403784620 1163181768 /nfs/dbraw/zinc/18/17/68/1163181768.db2.gz GKPAXBBDXDEAQW-UHFFFAOYSA-N 1 3 305.466 2.137 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1)N(C)C ZINC001405541763 1164143007 /nfs/dbraw/zinc/14/30/07/1164143007.db2.gz WFKKFMOYKXDXLA-BRWVUGGUSA-N 1 3 309.498 2.390 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC2CC[NH+](CC3CCC3)CC2)C1 ZINC001405560029 1164149065 /nfs/dbraw/zinc/14/90/65/1164149065.db2.gz UKFCYYRFPGZDSZ-INIZCTEOSA-N 1 3 321.509 2.347 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001405700378 1164193025 /nfs/dbraw/zinc/19/30/25/1164193025.db2.gz OLZVZPQICSQBGS-NVXWUHKLSA-N 1 3 323.525 2.495 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]CC1CC1)C1CCCCC1 ZINC001405944229 1164351287 /nfs/dbraw/zinc/35/12/87/1164351287.db2.gz DSCKRCSRFRZLJW-KRWDZBQOSA-N 1 3 309.498 2.391 20 0 DEADHO CCN(CC[NH2+][C@H](C)c1ccccc1)C(=O)[C@H]1CCCN1C ZINC001406321136 1164531137 /nfs/dbraw/zinc/53/11/37/1164531137.db2.gz YUILSPZWONYVFF-NVXWUHKLSA-N 1 3 303.450 2.280 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2cc(F)ccc2C)CC1 ZINC001407007783 1164920893 /nfs/dbraw/zinc/92/08/93/1164920893.db2.gz YUPYZNAXPKGOPF-UHFFFAOYSA-N 1 3 321.440 2.214 20 0 DEADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccccc1 ZINC001408197909 1165529232 /nfs/dbraw/zinc/52/92/32/1165529232.db2.gz HIXLZABZPPBZTG-HNNXBMFYSA-N 1 3 303.450 2.155 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC001408350752 1165607295 /nfs/dbraw/zinc/60/72/95/1165607295.db2.gz BQGIBFBAMMUVPC-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC001408350752 1165607297 /nfs/dbraw/zinc/60/72/97/1165607297.db2.gz BQGIBFBAMMUVPC-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(C(C)(C)CC)CC1 ZINC001414628964 1165906605 /nfs/dbraw/zinc/90/66/05/1165906605.db2.gz AYKYCOCGVJYPNY-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(C(C)(C)CC)CC1 ZINC001414628964 1165906628 /nfs/dbraw/zinc/90/66/28/1165906628.db2.gz AYKYCOCGVJYPNY-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1CCCCN1C ZINC001414642116 1165914979 /nfs/dbraw/zinc/91/49/79/1165914979.db2.gz MMLPHUXXOPNQMG-DLBZAZTESA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001417618280 1167088789 /nfs/dbraw/zinc/08/87/89/1167088789.db2.gz QULNGYICHKHYRG-SOLBZPMBSA-N 1 3 309.498 2.486 20 0 DEADHO Cc1ccc(CCN2CC[C@H]2CN(C)C(=O)CC[NH+](C)C)cc1 ZINC001417755837 1167190140 /nfs/dbraw/zinc/19/01/40/1167190140.db2.gz POMFBLHFVAMVSR-SFHVURJKSA-N 1 3 317.477 2.022 20 0 DEADHO CC(C)N(C)CC(=O)N1CC2(C[C@H]1C)CC[NH+](C(C)C)CC2 ZINC001417816535 1167232452 /nfs/dbraw/zinc/23/24/52/1167232452.db2.gz WXXRKKWIISXOGC-MRXNPFEDSA-N 1 3 309.498 2.438 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC12CC[NH+](C[C@@H](F)CC)CC2 ZINC001417957280 1167327432 /nfs/dbraw/zinc/32/74/32/1167327432.db2.gz ROZQEVJQHXITAQ-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)(C(=O)NC[C@@H]([NH2+]C/C=C\Cl)C1CC1)N1CCCC1 ZINC001417993200 1167350149 /nfs/dbraw/zinc/35/01/49/1167350149.db2.gz QHPRPIGENGTJTN-BMWLXYDHSA-N 1 3 313.873 2.098 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C)C1)N(C)C ZINC001418111138 1167416227 /nfs/dbraw/zinc/41/62/27/1167416227.db2.gz SXBITYZCQYRTIT-IXDOHACOSA-N 1 3 303.450 2.072 20 0 DEADHO Cc1ccc(F)cc1C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001418270548 1167536012 /nfs/dbraw/zinc/53/60/12/1167536012.db2.gz QKGGDXZGIDDLMT-RHSMWYFYSA-N 1 3 323.456 2.315 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001418301743 1167562312 /nfs/dbraw/zinc/56/23/12/1167562312.db2.gz IMWQBZKUJXDEGY-CYBMUJFWSA-N 1 3 306.454 2.325 20 0 DEADHO CC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001418409400 1167633872 /nfs/dbraw/zinc/63/38/72/1167633872.db2.gz ZFFCLTRBRZBLEC-RHSMWYFYSA-N 1 3 323.456 2.459 20 0 DEADHO C[C@@H](c1ccccc1)N(C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001418512484 1167742934 /nfs/dbraw/zinc/74/29/34/1167742934.db2.gz OFOIRSUJFXCEEK-JKSUJKDBSA-N 1 3 303.450 2.137 20 0 DEADHO C[C@@H](c1ccccc1)N(C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001418512484 1167742947 /nfs/dbraw/zinc/74/29/47/1167742947.db2.gz OFOIRSUJFXCEEK-JKSUJKDBSA-N 1 3 303.450 2.137 20 0 DEADHO Cc1cc(C)cc(C[N@@H+](C)CCNC(=O)CN(C)C(C)C)c1 ZINC001418525905 1167767643 /nfs/dbraw/zinc/76/76/43/1167767643.db2.gz AHQLVSWUMWBRDB-UHFFFAOYSA-N 1 3 305.466 2.192 20 0 DEADHO Cc1cc(C)cc(C[N@H+](C)CCNC(=O)CN(C)C(C)C)c1 ZINC001418525905 1167767668 /nfs/dbraw/zinc/76/76/68/1167767668.db2.gz AHQLVSWUMWBRDB-UHFFFAOYSA-N 1 3 305.466 2.192 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC[N@H+](C)CC1CCCCC1 ZINC001418528022 1167770545 /nfs/dbraw/zinc/77/05/45/1167770545.db2.gz RNYNXLHODMVWOC-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC[N@@H+](C)CC1CCCCC1 ZINC001418528022 1167770560 /nfs/dbraw/zinc/77/05/60/1167770560.db2.gz RNYNXLHODMVWOC-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2csc(C)c2)C1 ZINC001418704909 1167898008 /nfs/dbraw/zinc/89/80/08/1167898008.db2.gz RWFOLUMURXIZGO-KOMQPUFPSA-N 1 3 323.506 2.383 20 0 DEADHO Cc1ccccc1C[N@@H+](CCNC(=O)[C@H]1CCCN1C)C1CC1 ZINC001418753484 1167943077 /nfs/dbraw/zinc/94/30/77/1167943077.db2.gz OJQFHTXSKHNXPL-GOSISDBHSA-N 1 3 315.461 2.170 20 0 DEADHO Cc1ccccc1C[N@H+](CCNC(=O)[C@H]1CCCN1C)C1CC1 ZINC001418753484 1167943079 /nfs/dbraw/zinc/94/30/79/1167943079.db2.gz OJQFHTXSKHNXPL-GOSISDBHSA-N 1 3 315.461 2.170 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@H](C)c1cccc(F)c1 ZINC001418839202 1168000449 /nfs/dbraw/zinc/00/04/49/1168000449.db2.gz JFHAVTKGMWREDD-CQSZACIVSA-N 1 3 309.429 2.277 20 0 DEADHO CN(CC(=O)NC[C@H]([NH2+]C/C=C\Cl)C1CC1)CC(C)(C)C ZINC001419301736 1168385872 /nfs/dbraw/zinc/38/58/72/1168385872.db2.gz XMZZDNGCLNLLMM-PODYEWJSSA-N 1 3 315.889 2.201 20 0 DEADHO C[C@H](F)CC[NH2+][C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001419376001 1168430077 /nfs/dbraw/zinc/43/00/77/1168430077.db2.gz HZDWILUEEMIFJP-KKUMJFAQSA-N 1 3 313.461 2.236 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H](CC[NH+](C)C)C2)c1 ZINC001419415102 1168456568 /nfs/dbraw/zinc/45/65/68/1168456568.db2.gz NTVMMSHIIGKGER-OAHLLOKOSA-N 1 3 303.450 2.162 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C)sc2C)C1 ZINC001419435520 1168473053 /nfs/dbraw/zinc/47/30/53/1168473053.db2.gz DKHIUXPAROEPBU-WKILWMFISA-N 1 3 323.506 2.444 20 0 DEADHO Cn1nccc1[C@@H]1OCC[C@H]1[NH2+]C1CCN(C(C)(C)C)CC1 ZINC001548390149 1168551496 /nfs/dbraw/zinc/55/14/96/1168551496.db2.gz KRWZAIGWHBQSNR-GDBMZVCRSA-N 1 3 306.454 2.103 20 0 DEADHO CCCN(C)CC(=O)NCC[N@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC001420345019 1169382979 /nfs/dbraw/zinc/38/29/79/1169382979.db2.gz ZQZDTIRRTQAQSM-CQSZACIVSA-N 1 3 319.440 2.202 20 0 DEADHO CCCN(C)CC(=O)NCC[N@@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC001420345019 1169382988 /nfs/dbraw/zinc/38/29/88/1169382988.db2.gz ZQZDTIRRTQAQSM-CQSZACIVSA-N 1 3 319.440 2.202 20 0 DEADHO CC(C)CCC[N@@H+]1CC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001420543784 1169755597 /nfs/dbraw/zinc/75/55/97/1169755597.db2.gz LSEYGVPBQMOVMD-IAGOWNOFSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)CCC[N@H+]1CC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001420543784 1169755612 /nfs/dbraw/zinc/75/56/12/1169755612.db2.gz LSEYGVPBQMOVMD-IAGOWNOFSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@H](C[N@@H+](C)CC[C@H](C)F)NC(=O)CN(C)CC(C)(C)C ZINC001420630931 1169840976 /nfs/dbraw/zinc/84/09/76/1169840976.db2.gz HTQPSKLRRHAGGK-UONOGXRCSA-N 1 3 303.466 2.149 20 0 DEADHO C[C@H](C[N@H+](C)CC[C@H](C)F)NC(=O)CN(C)CC(C)(C)C ZINC001420630931 1169840978 /nfs/dbraw/zinc/84/09/78/1169840978.db2.gz HTQPSKLRRHAGGK-UONOGXRCSA-N 1 3 303.466 2.149 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@H](C)c1cccc(OC)c1)N(C)C ZINC001420727455 1171089812 /nfs/dbraw/zinc/08/98/12/1171089812.db2.gz NBJNAUKNJNLNHG-PBHICJAKSA-N 1 3 321.465 2.144 20 0 DEADHO CC(C)(C(=O)NCC1([NH2+]CCC(F)(F)F)CC1)N1CCCC1 ZINC001420967665 1171386650 /nfs/dbraw/zinc/38/66/50/1171386650.db2.gz FUSMCJFQWQWSEV-UHFFFAOYSA-N 1 3 321.387 2.052 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1(C[NH2+]CC2CC(C)C2)CCCC1 ZINC001421533822 1171836968 /nfs/dbraw/zinc/83/69/68/1171836968.db2.gz KXPPMBGEQGARPQ-UHFFFAOYSA-N 1 3 318.465 2.325 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+]Cc1ccc(C)cc1 ZINC001421765179 1171976521 /nfs/dbraw/zinc/97/65/21/1171976521.db2.gz FDSACRWQGKJPLC-CQSZACIVSA-N 1 3 314.433 2.111 20 0 DEADHO Cc1cccc(C[NH2+]C[C@H](C)CNC(=O)CN(C)C(C)C)c1 ZINC001421770054 1171982544 /nfs/dbraw/zinc/98/25/44/1171982544.db2.gz YUNMHQWCWMUMEH-INIZCTEOSA-N 1 3 305.466 2.177 20 0 DEADHO Cc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)CN2CC[C@H](C)C2)c1 ZINC001421935492 1172151320 /nfs/dbraw/zinc/15/13/20/1172151320.db2.gz BMYYWOSBDJANBG-DLBZAZTESA-N 1 3 317.477 2.273 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001422316941 1172485234 /nfs/dbraw/zinc/48/52/34/1172485234.db2.gz DOEURLDWOCIKEF-HOTGVXAUSA-N 1 3 317.477 2.462 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)[N@H+](C)CC1CC(C)C1 ZINC001422549223 1172696867 /nfs/dbraw/zinc/69/68/67/1172696867.db2.gz VBTKNOBCPXCKBV-PCKAHOCUSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)[N@@H+](C)CC1CC(C)C1 ZINC001422549223 1172696871 /nfs/dbraw/zinc/69/68/71/1172696871.db2.gz VBTKNOBCPXCKBV-PCKAHOCUSA-N 1 3 309.498 2.343 20 0 DEADHO CCC(CC)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC001422850903 1172885354 /nfs/dbraw/zinc/88/53/54/1172885354.db2.gz ZNVZEBHSBKPUFV-OSYLJGHBSA-N 1 3 321.509 2.201 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC001422850903 1172885355 /nfs/dbraw/zinc/88/53/55/1172885355.db2.gz ZNVZEBHSBKPUFV-OSYLJGHBSA-N 1 3 321.509 2.201 20 0 DEADHO C[C@H]1CC[N@H+](CC(=O)N2CCC(N(C)C/C=C/Cl)CC2)C1 ZINC001422929441 1172949342 /nfs/dbraw/zinc/94/93/42/1172949342.db2.gz UIOCAZDREVUHBI-RRFAQUSLSA-N 1 3 313.873 2.004 20 0 DEADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC(N(C)C/C=C/Cl)CC2)C1 ZINC001422929441 1172949366 /nfs/dbraw/zinc/94/93/66/1172949366.db2.gz UIOCAZDREVUHBI-RRFAQUSLSA-N 1 3 313.873 2.004 20 0 DEADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3cc(-n4ccnc4)cs3)[C@H]2C1 ZINC001422970695 1172986184 /nfs/dbraw/zinc/98/61/84/1172986184.db2.gz KIWTYQKHTGSETN-VBNZEHGJSA-N 1 3 302.447 2.364 20 0 DEADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCN2CC2CC3(CCC3)C2)C1 ZINC001423163040 1173133328 /nfs/dbraw/zinc/13/33/28/1173133328.db2.gz CXMKOCSMFSSEPY-RDJZCZTQSA-N 1 3 319.493 2.099 20 0 DEADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCN2CC2CC3(CCC3)C2)C1 ZINC001423163040 1173133336 /nfs/dbraw/zinc/13/33/36/1173133336.db2.gz CXMKOCSMFSSEPY-RDJZCZTQSA-N 1 3 319.493 2.099 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]CCc2ccc(C)cc2)CC1)N(C)C ZINC001423240786 1173180137 /nfs/dbraw/zinc/18/01/37/1173180137.db2.gz FBCCZJNIJUSUJQ-QGZVFWFLSA-N 1 3 317.477 2.116 20 0 DEADHO CC(C)N(CC[N@H+](C)Cc1ccccc1)C(=O)[C@H]1CCCN1C ZINC001423555255 1173406353 /nfs/dbraw/zinc/40/63/53/1173406353.db2.gz IVWLRDMOBMVENX-GOSISDBHSA-N 1 3 317.477 2.450 20 0 DEADHO CC(C)N(CC[N@@H+](C)Cc1ccccc1)C(=O)[C@H]1CCCN1C ZINC001423555255 1173406357 /nfs/dbraw/zinc/40/63/57/1173406357.db2.gz IVWLRDMOBMVENX-GOSISDBHSA-N 1 3 317.477 2.450 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](CC[C@H](C)F)CC1(C)C ZINC001424514979 1173817241 /nfs/dbraw/zinc/81/72/41/1173817241.db2.gz RYVDRJMKGLXAPN-LSDHHAIUSA-N 1 3 315.477 2.293 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](CC[C@H](C)F)CC1(C)C ZINC001424514979 1173817242 /nfs/dbraw/zinc/81/72/42/1173817242.db2.gz RYVDRJMKGLXAPN-LSDHHAIUSA-N 1 3 315.477 2.293 20 0 DEADHO CCCC[C@@H](C[NH2+]CC)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001425187247 1174217062 /nfs/dbraw/zinc/21/70/62/1174217062.db2.gz MMFJAUUIURIHFJ-YOEHRIQHSA-N 1 3 315.477 2.483 20 0 DEADHO CC[C@@H](C)C[NH+]1CC([C@@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001425242934 1174256442 /nfs/dbraw/zinc/25/64/42/1174256442.db2.gz RNKJDVUCBUOSCD-HUUCEWRRSA-N 1 3 309.498 2.343 20 0 DEADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCc2ccccc2F)C[C@@H]1C ZINC001425915970 1174510805 /nfs/dbraw/zinc/51/08/05/1174510805.db2.gz NUDNYLJCGYBZME-HOCLYGCPSA-N 1 3 321.440 2.247 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCc2ccccc2F)C[C@@H]1C ZINC001425915970 1174510814 /nfs/dbraw/zinc/51/08/14/1174510814.db2.gz NUDNYLJCGYBZME-HOCLYGCPSA-N 1 3 321.440 2.247 20 0 DEADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001426221044 1174656244 /nfs/dbraw/zinc/65/62/44/1174656244.db2.gz DCQKJLBUKBEYKP-JCYILVPMSA-N 1 3 321.440 2.245 20 0 DEADHO CC(C)[C@H](C(=O)N(C)CCN1CCCCC1)[NH+]1CCCCC1 ZINC001434150031 1178288458 /nfs/dbraw/zinc/28/84/58/1178288458.db2.gz PVLOGASLNFAPAF-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+][C@H]1CCc2c1cccc2F ZINC001437264059 1179675501 /nfs/dbraw/zinc/67/55/01/1179675501.db2.gz UTADVDZZXNBDRV-DYVFJYSZSA-N 1 3 321.440 2.248 20 0 DEADHO C[C@H](F)CC[N@H+](C)CCNC(=O)c1cccc(CN(C)C)c1 ZINC001437563069 1179846867 /nfs/dbraw/zinc/84/68/67/1179846867.db2.gz HGUVPBDBGKOSHZ-AWEZNQCLSA-N 1 3 309.429 2.158 20 0 DEADHO C[C@H](F)CC[N@@H+](C)CCNC(=O)c1cccc(CN(C)C)c1 ZINC001437563069 1179846869 /nfs/dbraw/zinc/84/68/69/1179846869.db2.gz HGUVPBDBGKOSHZ-AWEZNQCLSA-N 1 3 309.429 2.158 20 0 DEADHO CCC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)Cc1ccccc1 ZINC001437760194 1179955679 /nfs/dbraw/zinc/95/56/79/1179955679.db2.gz CJTYTJCWVSQPBN-QGZVFWFLSA-N 1 3 317.477 2.357 20 0 DEADHO CCC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)Cc1ccccc1 ZINC001437760194 1179955687 /nfs/dbraw/zinc/95/56/87/1179955687.db2.gz CJTYTJCWVSQPBN-QGZVFWFLSA-N 1 3 317.477 2.357 20 0 DEADHO C[C@H](F)CC[N@@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001437919679 1180078154 /nfs/dbraw/zinc/07/81/54/1180078154.db2.gz CKRPPMWLXYUXDF-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H](F)CC[N@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001437919679 1180078159 /nfs/dbraw/zinc/07/81/59/1180078159.db2.gz CKRPPMWLXYUXDF-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCC2CCCC2)C1 ZINC001437973927 1180117885 /nfs/dbraw/zinc/11/78/85/1180117885.db2.gz HDKUIKLYTAYJDD-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCC2CCCC2)C1 ZINC001437973927 1180117894 /nfs/dbraw/zinc/11/78/94/1180117894.db2.gz HDKUIKLYTAYJDD-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCC2)C1)N1CCCCC1 ZINC001438197819 1180233271 /nfs/dbraw/zinc/23/32/71/1180233271.db2.gz CQXUPMVVYSWDCB-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCC2)C1)N1CCCCC1 ZINC001438197819 1180233277 /nfs/dbraw/zinc/23/32/77/1180233277.db2.gz CQXUPMVVYSWDCB-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)C[NH2+]C[C@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001438533615 1180562684 /nfs/dbraw/zinc/56/26/84/1180562684.db2.gz UFIVNUOWMOCIPT-YOEHRIQHSA-N 1 3 315.477 2.197 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]C/C=C/Cl)C1 ZINC001438761559 1180806601 /nfs/dbraw/zinc/80/66/01/1180806601.db2.gz BVLRYCMLKMWUIS-ODYMAQSMSA-N 1 3 315.889 2.296 20 0 DEADHO CC(C)[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCC(C)(C)C ZINC001438827259 1180823180 /nfs/dbraw/zinc/82/31/80/1180823180.db2.gz IWCKUSZQDWJADU-CVEARBPZSA-N 1 3 311.514 2.495 20 0 DEADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)CCc2cccs2)CC[N@@H+]1C ZINC001438873864 1180839520 /nfs/dbraw/zinc/83/95/20/1180839520.db2.gz NNMWRBWCPNXVGV-GDBMZVCRSA-N 1 3 323.506 2.021 20 0 DEADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)CCc2cccs2)CC[N@H+]1C ZINC001438873864 1180839521 /nfs/dbraw/zinc/83/95/21/1180839521.db2.gz NNMWRBWCPNXVGV-GDBMZVCRSA-N 1 3 323.506 2.021 20 0 DEADHO CCc1cccc(CN(C)CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001438940317 1180859173 /nfs/dbraw/zinc/85/91/73/1180859173.db2.gz XHHNPUSQAUOCBP-SFHVURJKSA-N 1 3 317.477 2.091 20 0 DEADHO CCc1cccc(CN(C)CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001438940317 1180859174 /nfs/dbraw/zinc/85/91/74/1180859174.db2.gz XHHNPUSQAUOCBP-SFHVURJKSA-N 1 3 317.477 2.091 20 0 DEADHO Cc1cccc(C)c1C[NH2+]C[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001439155590 1180900217 /nfs/dbraw/zinc/90/02/17/1180900217.db2.gz VMSSKXDFFFXRKC-RHSMWYFYSA-N 1 3 317.477 2.240 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C[NH2+]CC1CC2(CCC2)C1)C1CC1)N(C)C ZINC001439481767 1181107474 /nfs/dbraw/zinc/10/74/74/1181107474.db2.gz SFGDBBBQTOCYBE-SJORKVTESA-N 1 3 321.509 2.391 20 0 DEADHO CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001440125088 1181359380 /nfs/dbraw/zinc/35/93/80/1181359380.db2.gz CYONUYRFZLAOFC-YVSFHVDLSA-N 1 3 309.498 2.342 20 0 DEADHO CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001440125088 1181359385 /nfs/dbraw/zinc/35/93/85/1181359385.db2.gz CYONUYRFZLAOFC-YVSFHVDLSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1(N(C)C)CCC1)C2 ZINC001440132036 1181363057 /nfs/dbraw/zinc/36/30/57/1181363057.db2.gz JTNNDFDCIVFEOR-BJWYYQGGSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1(N(C)C)CCC1)C2 ZINC001440132036 1181363061 /nfs/dbraw/zinc/36/30/61/1181363061.db2.gz JTNNDFDCIVFEOR-BJWYYQGGSA-N 1 3 321.509 2.486 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2F)C1 ZINC001440325290 1181449332 /nfs/dbraw/zinc/44/93/32/1181449332.db2.gz ZGLASIVTDWXQCG-FZNQNYSPSA-N 1 3 321.440 2.152 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CCC[N@H+](C)Cc1ccc(F)cc1 ZINC001440484930 1181551218 /nfs/dbraw/zinc/55/12/18/1181551218.db2.gz UNHURGHKRSIECW-UHFFFAOYSA-N 1 3 323.456 2.446 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CCC[N@@H+](C)Cc1ccc(F)cc1 ZINC001440484930 1181551224 /nfs/dbraw/zinc/55/12/24/1181551224.db2.gz UNHURGHKRSIECW-UHFFFAOYSA-N 1 3 323.456 2.446 20 0 DEADHO CCCN1Cc2ccc(CNC(=O)C3(C[NH+](C)C)CC3)cc2C1 ZINC001440578818 1181600540 /nfs/dbraw/zinc/60/05/40/1181600540.db2.gz JNUGLPMCGXBRBR-UHFFFAOYSA-N 1 3 315.461 2.370 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C1CCC([NH2+]CC2CC2)CC1)N(C)C ZINC001440858181 1181732935 /nfs/dbraw/zinc/73/29/35/1181732935.db2.gz OKYRHAHVABYFKL-JCYILVPMSA-N 1 3 309.498 2.342 20 0 DEADHO C[C@H](CNC(=O)CC[NH+](C)C)N(C)[C@@H](C)c1ccc(F)cc1 ZINC001440964382 1181801945 /nfs/dbraw/zinc/80/19/45/1181801945.db2.gz ULJJCBVJKFEZEZ-KGLIPLIRSA-N 1 3 309.429 2.275 20 0 DEADHO C[C@H]([NH2+]CCF)[C@@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001440989691 1181815063 /nfs/dbraw/zinc/81/50/63/1181815063.db2.gz IIPSJGVJTXMGLW-GJZGRUSLSA-N 1 3 315.477 2.293 20 0 DEADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)Cc1ccc(CF)cc1 ZINC001441006580 1181822970 /nfs/dbraw/zinc/82/29/70/1181822970.db2.gz CNTBDXZOKPDRFL-YOEHRIQHSA-N 1 3 321.440 2.044 20 0 DEADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)Cc1ccc(CF)cc1 ZINC001441006580 1181822974 /nfs/dbraw/zinc/82/29/74/1181822974.db2.gz CNTBDXZOKPDRFL-YOEHRIQHSA-N 1 3 321.440 2.044 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC12CC[NH+](CC[C@@H](C)F)CC2 ZINC001441162119 1181877647 /nfs/dbraw/zinc/87/76/47/1181877647.db2.gz SDIXZFBRRIUBEI-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001441290230 1181932275 /nfs/dbraw/zinc/93/22/75/1181932275.db2.gz DSBHTZGALFMORG-OAHLLOKOSA-N 1 3 306.454 2.169 20 0 DEADHO CC(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001441290230 1181932281 /nfs/dbraw/zinc/93/22/81/1181932281.db2.gz DSBHTZGALFMORG-OAHLLOKOSA-N 1 3 306.454 2.169 20 0 DEADHO Cc1ccc(F)c(CN[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C)c1 ZINC001441823437 1182176676 /nfs/dbraw/zinc/17/66/76/1182176676.db2.gz MOIDAMZMLVGKLO-RHSMWYFYSA-N 1 3 321.440 2.165 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccc(CF)cc1 ZINC001441953149 1182266244 /nfs/dbraw/zinc/26/62/44/1182266244.db2.gz REFCYHUWASUGQX-HUUCEWRRSA-N 1 3 321.440 2.092 20 0 DEADHO CN(CC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)CC(C)(C)C ZINC001442035322 1182296136 /nfs/dbraw/zinc/29/61/36/1182296136.db2.gz VAOIXPHBIVONAC-KRWDZBQOSA-N 1 3 319.493 2.253 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]CCc2ccccc2)C1 ZINC001442259734 1182393956 /nfs/dbraw/zinc/39/39/56/1182393956.db2.gz LZRRXUBDVAZSDY-UHFFFAOYSA-N 1 3 317.477 2.148 20 0 DEADHO C[C@H](F)CC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001442813195 1182722583 /nfs/dbraw/zinc/72/25/83/1182722583.db2.gz MZPCCIXOCGECLZ-GJZGRUSLSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H](F)CC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001442813195 1182722590 /nfs/dbraw/zinc/72/25/90/1182722590.db2.gz MZPCCIXOCGECLZ-GJZGRUSLSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H]([NH2+]CCN(C)C(=O)CN1CC[C@H](C)C1)c1cccc(F)c1 ZINC001443078426 1182842379 /nfs/dbraw/zinc/84/23/79/1182842379.db2.gz KZICIUIQYPQKFO-LSDHHAIUSA-N 1 3 321.440 2.277 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@H+](C)C/C=C/Cl)C2)CCC1 ZINC001443316327 1182922194 /nfs/dbraw/zinc/92/21/94/1182922194.db2.gz AMLJRBNMTYAXQP-KVEVGEHQSA-N 1 3 313.873 2.004 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@@H+](C)C/C=C/Cl)C2)CCC1 ZINC001443316327 1182922206 /nfs/dbraw/zinc/92/22/06/1182922206.db2.gz AMLJRBNMTYAXQP-KVEVGEHQSA-N 1 3 313.873 2.004 20 0 DEADHO CC1CCC(C[NH+]2CC(CNC(=O)CN(C)C3CCC3)C2)CC1 ZINC001443588725 1183042187 /nfs/dbraw/zinc/04/21/87/1183042187.db2.gz OKBFJZXOXABTBS-UHFFFAOYSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@H](C(=O)NCC1C[NH+](CC2CCC3(CC3)CC2)C1)N(C)C ZINC001443593005 1183044312 /nfs/dbraw/zinc/04/43/12/1183044312.db2.gz XOIXITUPRYUULZ-QGZVFWFLSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H](c1ccccc1)N1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001443623571 1183059299 /nfs/dbraw/zinc/05/92/99/1183059299.db2.gz OFQSUMYVKIYTHL-OAHLLOKOSA-N 1 3 303.450 2.137 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C)c(C)c1)N(C)C ZINC001444321334 1183346295 /nfs/dbraw/zinc/34/62/95/1183346295.db2.gz IJMLEPLNUTZBAV-KBXCAEBGSA-N 1 3 319.493 2.486 20 0 DEADHO C[C@@H](C[NH2+]CC1CCCCC1)N(C)C(=O)CN(C)C1CCC1 ZINC001444636344 1183494221 /nfs/dbraw/zinc/49/42/21/1183494221.db2.gz QTDGMPZCNUSKIC-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](c1ccccc1)N(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001444984935 1183688915 /nfs/dbraw/zinc/68/89/15/1183688915.db2.gz CCXBQNVYJJLPTA-JFIYKMOQSA-N 1 3 317.477 2.478 20 0 DEADHO C[C@H](c1ccccc1)N(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001444984935 1183688919 /nfs/dbraw/zinc/68/89/19/1183688919.db2.gz CCXBQNVYJJLPTA-JFIYKMOQSA-N 1 3 317.477 2.478 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC2CCC2)C1 ZINC001445127775 1183788253 /nfs/dbraw/zinc/78/82/53/1183788253.db2.gz LFKVUMSQOXBTTR-SJORKVTESA-N 1 3 307.482 2.051 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC2CCC2)C1 ZINC001445127775 1183788256 /nfs/dbraw/zinc/78/82/56/1183788256.db2.gz LFKVUMSQOXBTTR-SJORKVTESA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)CC[NH2+][C@@H]1CCc2ccccc21 ZINC001445311020 1183830537 /nfs/dbraw/zinc/83/05/37/1183830537.db2.gz SQGWWYRJPQLPFL-MAUKXSAKSA-N 1 3 317.477 2.499 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@H+](CC[C@H](C)F)C2 ZINC001448480666 1185249836 /nfs/dbraw/zinc/24/98/36/1185249836.db2.gz ICZMSEDZCWYLEM-HNNXBMFYSA-N 1 3 313.461 2.001 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@@H+](CC[C@H](C)F)C2 ZINC001448480666 1185249841 /nfs/dbraw/zinc/24/98/41/1185249841.db2.gz ICZMSEDZCWYLEM-HNNXBMFYSA-N 1 3 313.461 2.001 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)Cc2c[nH]cn2)c(C)c1 ZINC001448723304 1185383439 /nfs/dbraw/zinc/38/34/39/1185383439.db2.gz AUIZLLDZIDKWMX-OAHLLOKOSA-N 1 3 314.433 2.206 20 0 DEADHO C[C@@H]1[C@@H]([NH2+]C/C=C\c2ccccc2)CCN1C(=O)Cc1c[nH]cn1 ZINC001448976649 1185468665 /nfs/dbraw/zinc/46/86/65/1185468665.db2.gz GMNUQUMUKVFAEH-MDTOGDBOSA-N 1 3 324.428 2.245 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@H](NC(=O)CN(C)C1CCC1)C(C)(C)C ZINC001449291765 1185628423 /nfs/dbraw/zinc/62/84/23/1185628423.db2.gz JBRFHGDOEKRSGW-ZFWWWQNUSA-N 1 3 315.477 2.339 20 0 DEADHO C[C@@H]1CN(C)[C@@H](C)CN1c1cccc(OCC[NH+]2CCCC2)n1 ZINC001164637133 719226997 /nfs/dbraw/zinc/22/69/97/719226997.db2.gz LCDXRGFWRFXQTB-JKSUJKDBSA-N 1 3 318.465 2.085 20 0 DEADHO CC(C)=CCN1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001332197394 1149833212 /nfs/dbraw/zinc/83/32/12/1149833212.db2.gz BJMRZGKUENMCEB-CVEARBPZSA-N 1 3 307.482 2.264 20 0 DEADHO Cc1cc(CNCCNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)cs1 ZINC001127256530 782379031 /nfs/dbraw/zinc/37/90/31/782379031.db2.gz OUVCOPGYQNQPQG-HOTGVXAUSA-N 1 3 321.490 2.137 20 0 DEADHO Cc1cc(CNCCNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)cs1 ZINC001127256530 782379041 /nfs/dbraw/zinc/37/90/41/782379041.db2.gz OUVCOPGYQNQPQG-HOTGVXAUSA-N 1 3 321.490 2.137 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CC[C@H](C[NH2+]CCCF)C1)N1CCCC1 ZINC001332293615 1149845196 /nfs/dbraw/zinc/84/51/96/1149845196.db2.gz RHNQFDSSLHEIMB-LSDHHAIUSA-N 1 3 313.461 2.095 20 0 DEADHO CC/C=C\CC[NH2+][C@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC001332425273 1149859274 /nfs/dbraw/zinc/85/92/74/1149859274.db2.gz ZDQCJYFHBKACGU-YVACAVLKSA-N 1 3 304.438 2.135 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC(C)C ZINC001408359236 1165612955 /nfs/dbraw/zinc/61/29/55/1165612955.db2.gz VWVARIVOQXVTTI-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC(C)C ZINC001408359236 1165612958 /nfs/dbraw/zinc/61/29/58/1165612958.db2.gz VWVARIVOQXVTTI-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001106673617 782843634 /nfs/dbraw/zinc/84/36/34/782843634.db2.gz IYGQFKOITQJBMJ-QOOKESJHSA-N 1 3 309.498 2.367 20 0 DEADHO CC(C)[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001075344556 776585790 /nfs/dbraw/zinc/58/57/90/776585790.db2.gz PKPTVLXXLCQNRL-IAGOWNOFSA-N 1 3 309.498 2.201 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H](C[NH2+]CC3CC3)[C@@H](C)C2)CC1 ZINC001075349196 776634322 /nfs/dbraw/zinc/63/43/22/776634322.db2.gz SZCBLBZCBSQUAS-WMZOPIPTSA-N 1 3 321.509 2.203 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]CCc2cccs2)C1 ZINC001211286542 777029154 /nfs/dbraw/zinc/02/91/54/777029154.db2.gz VYZOPSGZUMMWSA-OAHLLOKOSA-N 1 3 323.506 2.211 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C/C=C\Cl)C1)N(C)C ZINC001104348313 777096144 /nfs/dbraw/zinc/09/61/44/777096144.db2.gz DFPBSHHJIOVACA-ILUVHHAISA-N 1 3 315.889 2.153 20 0 DEADHO C[NH+](C)CC(C)(C)CN1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC001207286512 777329829 /nfs/dbraw/zinc/32/98/29/777329829.db2.gz VOXYGGPSCCSJNV-INIZCTEOSA-N 1 3 309.498 2.299 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]CCC(C)(C)C)C1 ZINC001100677091 777676455 /nfs/dbraw/zinc/67/64/55/777676455.db2.gz YJGCPHXWKLSDLY-FHERZECASA-N 1 3 309.498 2.391 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3nc[nH]c3C)C(C)(C)[C@H]21 ZINC001087316528 777776946 /nfs/dbraw/zinc/77/69/46/777776946.db2.gz SWIJEHDKXANWKG-XYPHTWIQSA-N 1 3 318.465 2.276 20 0 DEADHO CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3nc[nH]c3C)C(C)(C)[C@H]21 ZINC001087316528 777776953 /nfs/dbraw/zinc/77/69/53/777776953.db2.gz SWIJEHDKXANWKG-XYPHTWIQSA-N 1 3 318.465 2.276 20 0 DEADHO CCN(CC)Cc1cc(OC)ccc1-n1ccc(C[NH3+])cc1=N ZINC001167693665 777847155 /nfs/dbraw/zinc/84/71/55/777847155.db2.gz ZHKCPDJUZAXQPY-UHFFFAOYSA-N 1 3 314.433 2.266 20 0 DEADHO CCOC(=O)[C@H]1CN([C@H](C)CCC[NH+](CC)CC)CCS1 ZINC001167840134 778699190 /nfs/dbraw/zinc/69/91/90/778699190.db2.gz DYRSVXOILNEMRR-HUUCEWRRSA-N 1 3 316.511 2.477 20 0 DEADHO [NH3+]CCCN1CCN([C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171105847 790645318 /nfs/dbraw/zinc/64/53/18/790645318.db2.gz WYMGMJSAWAITQT-QGZVFWFLSA-N 1 3 307.869 2.164 20 0 DEADHO CN(C)C(=O)C1CC[NH+](C2CCN([C@H]3C[C@H]4C[C@H]4C3)CC2)CC1 ZINC001167938026 778941773 /nfs/dbraw/zinc/94/17/73/778941773.db2.gz DHYJKXJZZRUEIT-VQFNDLOPSA-N 1 3 319.493 2.050 20 0 DEADHO CC(C)CC[N@@H+]1CCC2(CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC001073453989 790666151 /nfs/dbraw/zinc/66/61/51/790666151.db2.gz DIPLETUFZFOGPT-IRXDYDNUSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)CC[N@H+]1CCC2(CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC001073453989 790666158 /nfs/dbraw/zinc/66/61/58/790666158.db2.gz DIPLETUFZFOGPT-IRXDYDNUSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC2(C1)CC[N@H+](CC1CCC1)C2 ZINC001073454927 790666213 /nfs/dbraw/zinc/66/62/13/790666213.db2.gz UPGHIZLBLALFIG-IYBDPMFKSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC2(C1)CC[N@@H+](CC1CCC1)C2 ZINC001073454927 790666216 /nfs/dbraw/zinc/66/62/16/790666216.db2.gz UPGHIZLBLALFIG-IYBDPMFKSA-N 1 3 319.493 2.194 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCF)[C@@H]1CC ZINC001087593456 779367883 /nfs/dbraw/zinc/36/78/83/779367883.db2.gz HPXGNXYUIMFDQZ-ARFHVFGLSA-N 1 3 313.461 2.190 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCCF)[C@@H]1CC ZINC001087593456 779367889 /nfs/dbraw/zinc/36/78/89/779367889.db2.gz HPXGNXYUIMFDQZ-ARFHVFGLSA-N 1 3 313.461 2.190 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107191 779706211 /nfs/dbraw/zinc/70/62/11/779706211.db2.gz LTCDQUHUTISFPB-SJORKVTESA-N 1 3 321.509 2.299 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107191 779706218 /nfs/dbraw/zinc/70/62/18/779706218.db2.gz LTCDQUHUTISFPB-SJORKVTESA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CC2CC2)C1)N(C)C ZINC001088376636 780040566 /nfs/dbraw/zinc/04/05/66/780040566.db2.gz MAUWLKHZDMHBNT-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCCCC[C@@H]([NH2+]CCC3CC3)C2)C1 ZINC001088381928 780051143 /nfs/dbraw/zinc/05/11/43/780051143.db2.gz QBRPBCIGCURDQI-FUHWJXTLSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCCC[C@@H]([NH2+]CC3CCC3)C2)C1 ZINC001088381723 780051300 /nfs/dbraw/zinc/05/13/00/780051300.db2.gz KYJIKLFKJMKEAV-SJLPKXTDSA-N 1 3 321.509 2.489 20 0 DEADHO C[NH+](C)C1CCC(N2CCN(c3ccc(Cl)nn3)CC2)CC1 ZINC001168328121 780844850 /nfs/dbraw/zinc/84/48/50/780844850.db2.gz WKOBQGQXSXGOHV-UHFFFAOYSA-N 1 3 323.872 2.125 20 0 DEADHO CC(C)=CCN1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001088768814 780968592 /nfs/dbraw/zinc/96/85/92/780968592.db2.gz FKPDCEHYBUFEAB-BPQIPLTHSA-N 1 3 319.493 2.406 20 0 DEADHO C[C@@H](F)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@H]1C ZINC001088791858 780992699 /nfs/dbraw/zinc/99/26/99/780992699.db2.gz GZHPHYIRJWJKBE-KFWWJZLASA-N 1 3 313.461 2.188 20 0 DEADHO C[C@@H](F)CC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@H]1C ZINC001088791858 780992701 /nfs/dbraw/zinc/99/27/01/780992701.db2.gz GZHPHYIRJWJKBE-KFWWJZLASA-N 1 3 313.461 2.188 20 0 DEADHO CC(C)=CCN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1C ZINC001088817076 781048037 /nfs/dbraw/zinc/04/80/37/781048037.db2.gz AMDWQUUASJGRRI-YVSFHVDLSA-N 1 3 307.482 2.262 20 0 DEADHO CC(C)=CCN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1C ZINC001088817076 781048043 /nfs/dbraw/zinc/04/80/43/781048043.db2.gz AMDWQUUASJGRRI-YVSFHVDLSA-N 1 3 307.482 2.262 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001127077745 781720618 /nfs/dbraw/zinc/72/06/18/781720618.db2.gz JJFRDYQRUDIZAZ-ZIAGYGMSSA-N 1 3 317.424 2.000 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001127077744 781721046 /nfs/dbraw/zinc/72/10/46/781721046.db2.gz JJFRDYQRUDIZAZ-UONOGXRCSA-N 1 3 317.424 2.000 20 0 DEADHO FC1(F)CO[C@@]2(CC[N@@H+](C3CCN(CC4CC4)CC3)C2)C1 ZINC001168387696 781773551 /nfs/dbraw/zinc/77/35/51/781773551.db2.gz QEBWYEAOMAUWKM-HNNXBMFYSA-N 1 3 300.393 2.361 20 0 DEADHO FC1(F)CO[C@@]2(CC[N@H+](C3CCN(CC4CC4)CC3)C2)C1 ZINC001168387696 781773558 /nfs/dbraw/zinc/77/35/58/781773558.db2.gz QEBWYEAOMAUWKM-HNNXBMFYSA-N 1 3 300.393 2.361 20 0 DEADHO c1cncc(O[C@H]2CC[N@@H+](C3CCN(CC4CC4)CC3)C2)c1 ZINC001168390283 781779311 /nfs/dbraw/zinc/77/93/11/781779311.db2.gz GHUQLTFPIQSPTL-SFHVURJKSA-N 1 3 301.434 2.409 20 0 DEADHO c1cncc(O[C@H]2CC[N@H+](C3CCN(CC4CC4)CC3)C2)c1 ZINC001168390283 781779320 /nfs/dbraw/zinc/77/93/20/781779320.db2.gz GHUQLTFPIQSPTL-SFHVURJKSA-N 1 3 301.434 2.409 20 0 DEADHO CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001089639032 783307759 /nfs/dbraw/zinc/30/77/59/783307759.db2.gz LNPVCGVLRRCWAH-CVEARBPZSA-N 1 3 309.498 2.486 20 0 DEADHO CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001089639032 783307767 /nfs/dbraw/zinc/30/77/67/783307767.db2.gz LNPVCGVLRRCWAH-CVEARBPZSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)c2cccc(F)c2)CC[N@@H+]1C ZINC001127705392 783542650 /nfs/dbraw/zinc/54/26/50/783542650.db2.gz CGGCVOKYYTVFRY-RRQGHBQHSA-N 1 3 321.440 2.323 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)c2cccc(F)c2)CC[N@H+]1C ZINC001127705392 783542653 /nfs/dbraw/zinc/54/26/53/783542653.db2.gz CGGCVOKYYTVFRY-RRQGHBQHSA-N 1 3 321.440 2.323 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC1 ZINC001085217743 783588036 /nfs/dbraw/zinc/58/80/36/783588036.db2.gz ORTMQPQWAYSBRP-ZACQAIPSSA-N 1 3 307.482 2.288 20 0 DEADHO CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC001085285025 783620841 /nfs/dbraw/zinc/62/08/41/783620841.db2.gz XXMXZFGYWQWPSE-BRWVUGGUSA-N 1 3 307.482 2.288 20 0 DEADHO CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001085688356 783968029 /nfs/dbraw/zinc/96/80/29/783968029.db2.gz HZCUVHLHIWISQY-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001085688356 783968032 /nfs/dbraw/zinc/96/80/32/783968032.db2.gz HZCUVHLHIWISQY-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1C ZINC000967923680 784177685 /nfs/dbraw/zinc/17/76/85/784177685.db2.gz AVBDHEPBBWWBMC-MSOLQXFVSA-N 1 3 315.461 2.088 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CC1 ZINC001085987111 784282855 /nfs/dbraw/zinc/28/28/55/784282855.db2.gz UTJFUPHHLYDKTQ-KRWDZBQOSA-N 1 3 315.461 2.305 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CC1 ZINC001085987111 784282860 /nfs/dbraw/zinc/28/28/60/784282860.db2.gz UTJFUPHHLYDKTQ-KRWDZBQOSA-N 1 3 315.461 2.305 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CC1 ZINC001074063427 791034760 /nfs/dbraw/zinc/03/47/60/791034760.db2.gz LTPVQZUASURNNC-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC1 ZINC001074063427 791034766 /nfs/dbraw/zinc/03/47/66/791034766.db2.gz LTPVQZUASURNNC-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1C[C@@H]([NH2+]CC2CC(C)C2)C1 ZINC001086364362 784626091 /nfs/dbraw/zinc/62/60/91/784626091.db2.gz AUXNEZVKEORXTG-NHHFINERSA-N 1 3 321.509 2.390 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC001169077860 785036069 /nfs/dbraw/zinc/03/60/69/785036069.db2.gz AULNFOLTMPYXTH-ZQDZILKHSA-N 1 3 309.454 2.211 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC001169077860 785036076 /nfs/dbraw/zinc/03/60/76/785036076.db2.gz AULNFOLTMPYXTH-ZQDZILKHSA-N 1 3 309.454 2.211 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC(NC(=O)C3CCCC3)CC1)C2 ZINC001169140172 785059319 /nfs/dbraw/zinc/05/93/19/785059319.db2.gz IAYABRJDCGUQBG-PIIMJCKOSA-N 1 3 319.493 2.382 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC(NC(=O)C3CCCC3)CC1)C2 ZINC001169140172 785059325 /nfs/dbraw/zinc/05/93/25/785059325.db2.gz IAYABRJDCGUQBG-PIIMJCKOSA-N 1 3 319.493 2.382 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1nc(C(F)(F)F)c3c1CCNC3)C2 ZINC001169153298 785070038 /nfs/dbraw/zinc/07/00/38/785070038.db2.gz IWCSDVBHWAOXAY-JGPRNRPPSA-N 1 3 314.355 2.345 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1nc(C(F)(F)F)c3c1CCNC3)C2 ZINC001169153298 785070042 /nfs/dbraw/zinc/07/00/42/785070042.db2.gz IWCSDVBHWAOXAY-JGPRNRPPSA-N 1 3 314.355 2.345 20 0 DEADHO Cc1cnccc1O[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3C)C1 ZINC001169155141 785070845 /nfs/dbraw/zinc/07/08/45/785070845.db2.gz YLZBEZDCDPNLLA-LTIDMASMSA-N 1 3 301.434 2.468 20 0 DEADHO Cc1cnccc1O[C@@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3C)C1 ZINC001169155141 785070849 /nfs/dbraw/zinc/07/08/49/785070849.db2.gz YLZBEZDCDPNLLA-LTIDMASMSA-N 1 3 301.434 2.468 20 0 DEADHO Cc1cnccc1O[C@@H]1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169155141 785070852 /nfs/dbraw/zinc/07/08/52/785070852.db2.gz YLZBEZDCDPNLLA-LTIDMASMSA-N 1 3 301.434 2.468 20 0 DEADHO Cc1cnccc1O[C@@H]1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169155141 785070855 /nfs/dbraw/zinc/07/08/55/785070855.db2.gz YLZBEZDCDPNLLA-LTIDMASMSA-N 1 3 301.434 2.468 20 0 DEADHO CCN(CC)C(=O)C[C@H](C)N1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001169489681 785223930 /nfs/dbraw/zinc/22/39/30/785223930.db2.gz MYFWYTWCGZGBFF-INIZCTEOSA-N 1 3 318.465 2.159 20 0 DEADHO CC(C)(C)C(=O)Nc1ccc(CN)nc1NCC[C@H]1CCC[NH2+]1 ZINC001169558474 785241225 /nfs/dbraw/zinc/24/12/25/785241225.db2.gz FHKJCCPJVGYJDO-GFCCVEGCSA-N 1 3 319.453 2.079 20 0 DEADHO CC(=O)N1CCC[C@H](NC2CC[NH+](C[C@H]3CC=CCC3)CC2)C1 ZINC001169596730 785254735 /nfs/dbraw/zinc/25/47/35/785254735.db2.gz JMBLKYAVUMOKCJ-HKUYNNGSSA-N 1 3 319.493 2.408 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001008746077 785291533 /nfs/dbraw/zinc/29/15/33/785291533.db2.gz HMDRVWQOSZFZHW-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001008746077 785291537 /nfs/dbraw/zinc/29/15/37/785291537.db2.gz HMDRVWQOSZFZHW-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO C[NH+](C)CCC(C)(C)Nc1cncc([C@H]2CN3CCC2CC3)n1 ZINC001169717762 785325055 /nfs/dbraw/zinc/32/50/55/785325055.db2.gz KKGBRRRKDVJGJO-HNNXBMFYSA-N 1 3 317.481 2.428 20 0 DEADHO [NH3+][C@H]1CCC[C@H](N[C@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169742143 785331356 /nfs/dbraw/zinc/33/13/56/785331356.db2.gz CUQKLGAIIMZXRZ-ULQDDVLXSA-N 1 3 301.434 2.151 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001009628629 785495605 /nfs/dbraw/zinc/49/56/05/785495605.db2.gz QMDCNYTYNHOMEH-KRWDZBQOSA-N 1 3 315.461 2.352 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001009628629 785495606 /nfs/dbraw/zinc/49/56/06/785495606.db2.gz QMDCNYTYNHOMEH-KRWDZBQOSA-N 1 3 315.461 2.352 20 0 DEADHO C[C@H](CCCC[NH2+]CC1CCC1)NC(=O)[C@H](C1CC1)N(C)C ZINC001171246035 791119060 /nfs/dbraw/zinc/11/90/60/791119060.db2.gz DJFDSRVKUVDWRQ-PBHICJAKSA-N 1 3 309.498 2.391 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1CCN(C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001113571596 786696901 /nfs/dbraw/zinc/69/69/01/786696901.db2.gz WXZNABSTYOWSTI-FGTMMUONSA-N 1 3 321.509 2.299 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1CCN(C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001113571596 786696908 /nfs/dbraw/zinc/69/69/08/786696908.db2.gz WXZNABSTYOWSTI-FGTMMUONSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)=CCN1CC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001014723405 786724405 /nfs/dbraw/zinc/72/44/05/786724405.db2.gz PNAPSWIEABMOIR-IRXDYDNUSA-N 1 3 307.482 2.406 20 0 DEADHO CC(C)=CCN1CC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001014723405 786724408 /nfs/dbraw/zinc/72/44/08/786724408.db2.gz PNAPSWIEABMOIR-IRXDYDNUSA-N 1 3 307.482 2.406 20 0 DEADHO C[C@@H](NCCNC(=O)[C@@H](C1CC1)[NH+](C)C)c1ccccc1Cl ZINC001129455706 787213914 /nfs/dbraw/zinc/21/39/14/787213914.db2.gz VTTILBIGQFIWHU-MLGOLLRUSA-N 1 3 323.868 2.447 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001129949740 787262669 /nfs/dbraw/zinc/26/26/69/787262669.db2.gz IGWPEDXTIYHBMF-AWEZNQCLSA-N 1 3 319.440 2.104 20 0 DEADHO Cc1cc(C[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C)c(C)s1 ZINC001129953999 787263650 /nfs/dbraw/zinc/26/36/50/787263650.db2.gz WSQXJVQBGPONBS-HNNXBMFYSA-N 1 3 311.495 2.157 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+][C@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001130203387 787313790 /nfs/dbraw/zinc/31/37/90/787313790.db2.gz JPPRRGLOEVSNBB-RDTXWAMCSA-N 1 3 317.477 2.282 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+]Cc1ccccc1C1CC1)N(C)C ZINC001130203419 787314618 /nfs/dbraw/zinc/31/46/18/787314618.db2.gz KTFCZCSMMXUJCH-QGZVFWFLSA-N 1 3 303.450 2.110 20 0 DEADHO CC(C)CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001100320723 787438446 /nfs/dbraw/zinc/43/84/46/787438446.db2.gz OZDPQRCTUYNMFM-JCYILVPMSA-N 1 3 309.498 2.390 20 0 DEADHO Cc1ccc(CN2C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]2C)cc1 ZINC001132274492 788005637 /nfs/dbraw/zinc/00/56/37/788005637.db2.gz VECLMXQZISSYQS-SJLPKXTDSA-N 1 3 317.477 2.416 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C(C)C ZINC001097405634 788097592 /nfs/dbraw/zinc/09/75/92/788097592.db2.gz OXBNJVGYACEXLY-WCXIOVBPSA-N 1 3 307.482 2.237 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C(C)C ZINC001097405634 788097598 /nfs/dbraw/zinc/09/75/98/788097598.db2.gz OXBNJVGYACEXLY-WCXIOVBPSA-N 1 3 307.482 2.237 20 0 DEADHO CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)N1CCCC1)C2 ZINC001097580774 788138793 /nfs/dbraw/zinc/13/87/93/788138793.db2.gz KJBCWCBZGWIVNF-ZJPYXAASSA-N 1 3 319.493 2.382 20 0 DEADHO CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)N1CCCC1)C2 ZINC001097580774 788138797 /nfs/dbraw/zinc/13/87/97/788138797.db2.gz KJBCWCBZGWIVNF-ZJPYXAASSA-N 1 3 319.493 2.382 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCCF)C1 ZINC001132938765 788232222 /nfs/dbraw/zinc/23/22/22/788232222.db2.gz YZJVNIKKBWSPCL-GJZGRUSLSA-N 1 3 315.477 2.151 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCC(C)C)C1 ZINC001133182110 788309074 /nfs/dbraw/zinc/30/90/74/788309074.db2.gz OEGKCYPMRGDCBC-IAGOWNOFSA-N 1 3 311.514 2.449 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001000191452 788336596 /nfs/dbraw/zinc/33/65/96/788336596.db2.gz JAHHVVLLPJALEG-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]C/C=C/Cl)C1 ZINC001133347540 788377427 /nfs/dbraw/zinc/37/74/27/788377427.db2.gz XOMITWGSUBLWDO-ZWXLGZMVSA-N 1 3 315.889 2.153 20 0 DEADHO CC[C@H](C(=O)NCCNCc1ccc(C)nc1C)[NH+](CC)CC ZINC001133684240 788554319 /nfs/dbraw/zinc/55/43/19/788554319.db2.gz FRTBUNHJDJDJNV-QGZVFWFLSA-N 1 3 320.481 2.025 20 0 DEADHO CC(C)CCC[NH2+]CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001133856600 788641434 /nfs/dbraw/zinc/64/14/34/788641434.db2.gz KRKQKGYSAVGPIN-QGZVFWFLSA-N 1 3 315.477 2.341 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+]CCc1ccccc1 ZINC001134762786 789068390 /nfs/dbraw/zinc/06/83/90/789068390.db2.gz GOYPFFUKLBKPSN-SFHVURJKSA-N 1 3 317.477 2.198 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+]CC1CC(F)(F)C1 ZINC001134766008 789069271 /nfs/dbraw/zinc/06/92/71/789069271.db2.gz CJQVTDDYMNEYSN-CQSZACIVSA-N 1 3 317.424 2.000 20 0 DEADHO CCCCCCN(C)CC(=O)NCC[NH2+]CCOCCCC ZINC001135440144 789351317 /nfs/dbraw/zinc/35/13/17/789351317.db2.gz GTJLCQPEVVLYNT-UHFFFAOYSA-N 1 3 315.502 2.021 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC(F)(F)F ZINC001135747755 789476683 /nfs/dbraw/zinc/47/66/83/789476683.db2.gz UNXUHVIIPUYCBP-RYUDHWBXSA-N 1 3 311.392 2.154 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001135981197 789583039 /nfs/dbraw/zinc/58/30/39/789583039.db2.gz ZCZFNSUSKLGZTE-STQMWFEESA-N 1 3 319.440 2.246 20 0 DEADHO N[C@@H](CC1CC1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000397491242 790191659 /nfs/dbraw/zinc/19/16/59/790191659.db2.gz JKKOPPWSHJQJBS-SFHVURJKSA-N 1 3 315.461 2.142 20 0 DEADHO CN(C)C1(C(=O)N2C[C@H]3C[N@H+](CC4CCC4)C[C@@]3(C)C2)CCC1 ZINC001091735236 791773339 /nfs/dbraw/zinc/77/33/39/791773339.db2.gz MUKVLORXNHJYIF-AEFFLSMTSA-N 1 3 319.493 2.051 20 0 DEADHO CN(C)C1(C(=O)N2C[C@H]3C[N@@H+](CC4CCC4)C[C@@]3(C)C2)CCC1 ZINC001091735236 791773342 /nfs/dbraw/zinc/77/33/42/791773342.db2.gz MUKVLORXNHJYIF-AEFFLSMTSA-N 1 3 319.493 2.051 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001148656088 791781973 /nfs/dbraw/zinc/78/19/73/791781973.db2.gz UWXBPTMQVISMFK-ZDUSSCGKSA-N 1 3 311.857 2.449 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001091759234 791814669 /nfs/dbraw/zinc/81/46/69/791814669.db2.gz CCOKLFMFFMSKIS-RYRKJORJSA-N 1 3 309.498 2.009 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001091759234 791814673 /nfs/dbraw/zinc/81/46/73/791814673.db2.gz CCOKLFMFFMSKIS-RYRKJORJSA-N 1 3 309.498 2.009 20 0 DEADHO C[C@@H]1CC2(CN1C(=O)[C@@H]1CCCN1C)CC[NH+](CC1CC1)CC2 ZINC001086910688 791847453 /nfs/dbraw/zinc/84/74/53/791847453.db2.gz ZFOJRNMNKMKJNC-WBVHZDCISA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)C[C@]2(C)C1 ZINC001091910107 791898206 /nfs/dbraw/zinc/89/82/06/791898206.db2.gz IQMYVRQUTGNPHY-QAPCUYQASA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)C[C@]2(C)C1 ZINC001091910107 791898218 /nfs/dbraw/zinc/89/82/18/791898218.db2.gz IQMYVRQUTGNPHY-QAPCUYQASA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)=CC[N@H+]1C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092013281 791922897 /nfs/dbraw/zinc/92/28/97/791922897.db2.gz MBBYNLOLHAECSG-LMMKCTJWSA-N 1 3 319.493 2.075 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092013281 791922898 /nfs/dbraw/zinc/92/28/98/791922898.db2.gz MBBYNLOLHAECSG-LMMKCTJWSA-N 1 3 319.493 2.075 20 0 DEADHO CCC(CC)C[NH2+]C1CC(CNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001100407813 792633622 /nfs/dbraw/zinc/63/36/22/792633622.db2.gz KUNZCFFLKHBPDB-BDVYOWHSSA-N 1 3 309.498 2.247 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1CC([NH2+]CC2CCCC2)C1)N(C)C ZINC001100426578 792642969 /nfs/dbraw/zinc/64/29/69/792642969.db2.gz PCIBAPLZVSNYIG-JCYILVPMSA-N 1 3 309.498 2.247 20 0 DEADHO CC/C=C\CC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001100426413 792643007 /nfs/dbraw/zinc/64/30/07/792643007.db2.gz HDCIFOZIYKTKKN-LPRSTGIPSA-N 1 3 309.498 2.413 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]CC2=CCCCC2)C1 ZINC001100676234 792782334 /nfs/dbraw/zinc/78/23/34/792782334.db2.gz LFSTXZIQIZCPCK-ZLPCBKJTSA-N 1 3 319.493 2.456 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC2CC([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001100678326 792784619 /nfs/dbraw/zinc/78/46/19/792784619.db2.gz HKPKZOHTEIUWRM-UQPPLGOBSA-N 1 3 321.509 2.249 20 0 DEADHO CC(C)C[NH2+]C1CC(CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001100731850 792818515 /nfs/dbraw/zinc/81/85/15/792818515.db2.gz IXWBNHKGNBAJAX-KLAILNCOSA-N 1 3 309.498 2.391 20 0 DEADHO CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110161772 793057107 /nfs/dbraw/zinc/05/71/07/793057107.db2.gz SIBKMOJDPYVLNV-QZWWFDLISA-N 1 3 307.482 2.238 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CCCCOC)N(C)C ZINC001171508133 793117660 /nfs/dbraw/zinc/11/76/60/793117660.db2.gz AKMMRWDNRMZHLY-HZPDHXFCSA-N 1 3 315.502 2.018 20 0 DEADHO CN1C(C)(C)CC([NH+]2CCC(N3CCOCC3)CC2)CC1(C)C ZINC001171629447 793141272 /nfs/dbraw/zinc/14/12/72/793141272.db2.gz RMGOWHVKNDHGDC-UHFFFAOYSA-N 1 3 323.525 2.434 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+][C@H](C)c1cccc(C)c1 ZINC001171770033 793200322 /nfs/dbraw/zinc/20/03/22/793200322.db2.gz KKMRUFSHYBQLMD-MRXNPFEDSA-N 1 3 305.466 2.494 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+][C@H](C)c1cccc(OC)c1 ZINC001171770053 793201929 /nfs/dbraw/zinc/20/19/29/793201929.db2.gz LIXLAOZZIFULSX-OAHLLOKOSA-N 1 3 321.465 2.194 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCN[C@@H]2CCN(C3CC3)C(=O)C2)C1 ZINC001172000746 793273715 /nfs/dbraw/zinc/27/37/15/793273715.db2.gz SQKWQVJVPJDHOA-BZUAXINKSA-N 1 3 307.482 2.097 20 0 DEADHO CN(Cc1ccccc1)C(=O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172104010 793328850 /nfs/dbraw/zinc/32/88/50/793328850.db2.gz YRRKMPQGBOQAMT-BCDXTJNWSA-N 1 3 315.461 2.250 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H](CO)Cc1cccc(F)c1)C2 ZINC001172119431 793340544 /nfs/dbraw/zinc/34/05/44/793340544.db2.gz ZUYCEHBNAVZSJB-TVFCKZIOSA-N 1 3 306.425 2.334 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H](CO)Cc1cccc(F)c1)C2 ZINC001172119431 793340550 /nfs/dbraw/zinc/34/05/50/793340550.db2.gz ZUYCEHBNAVZSJB-TVFCKZIOSA-N 1 3 306.425 2.334 20 0 DEADHO [NH3+]C1(CC2CCC2)CCN([C@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172161373 793356093 /nfs/dbraw/zinc/35/60/93/793356093.db2.gz VEWFHUGTTYQVBT-JKSUJKDBSA-N 1 3 305.466 2.123 20 0 DEADHO CCC(CC)N1CCC([NH2+][C@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172164156 793357129 /nfs/dbraw/zinc/35/71/29/793357129.db2.gz YRPNDRAIRXZJJU-RDJZCZTQSA-N 1 3 307.482 2.382 20 0 DEADHO COCCCN1CCC([NH2+]C2CCN(C3CCC3)CC2)CC1 ZINC001172246698 793386568 /nfs/dbraw/zinc/38/65/68/793386568.db2.gz PRENYAMJHQDMSN-UHFFFAOYSA-N 1 3 309.498 2.094 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CN(C/C=C/Cl)C[C@H]1C)[NH+](C)C ZINC001102071846 793493871 /nfs/dbraw/zinc/49/38/71/793493871.db2.gz XRKYDLKKCAYSPO-AZDQDMGWSA-N 1 3 315.889 2.009 20 0 DEADHO Cc1ccc2c(c1)C[C@@H]([NH2+]CCN1CCN(C(C)C)CC1)CC2 ZINC001172833901 793509792 /nfs/dbraw/zinc/50/97/92/793509792.db2.gz CBJZYRYZPPFHLP-FQEVSTJZSA-N 1 3 315.505 2.468 20 0 DEADHO C[C@@H](CCN(C)C(=O)OC(C)(C)C)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001172974065 793548777 /nfs/dbraw/zinc/54/87/77/793548777.db2.gz GECMCAJKMWVOMX-SOUVJXGZSA-N 1 3 311.470 2.125 20 0 DEADHO C[C@@H](CCN(C)C(=O)OC(C)(C)C)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001172974065 793548781 /nfs/dbraw/zinc/54/87/81/793548781.db2.gz GECMCAJKMWVOMX-SOUVJXGZSA-N 1 3 311.470 2.125 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C)N(C)C ZINC001102378076 793595895 /nfs/dbraw/zinc/59/58/95/793595895.db2.gz MVLBGKBARKHONU-OIISXLGYSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C)N(C)C ZINC001102378076 793595905 /nfs/dbraw/zinc/59/59/05/793595905.db2.gz MVLBGKBARKHONU-OIISXLGYSA-N 1 3 309.498 2.201 20 0 DEADHO COc1cccc2c1C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)CO2 ZINC001173163110 793613935 /nfs/dbraw/zinc/61/39/35/793613935.db2.gz KONLEGXKQSYRIK-QLFBSQMISA-N 1 3 304.434 2.461 20 0 DEADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](CCCCCF)C[C@H]1C ZINC001102475647 793626131 /nfs/dbraw/zinc/62/61/31/793626131.db2.gz XYKRLKVQWMERIB-HZPDHXFCSA-N 1 3 315.477 2.152 20 0 DEADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](CCCCCF)C[C@H]1C ZINC001102475647 793626134 /nfs/dbraw/zinc/62/61/34/793626134.db2.gz XYKRLKVQWMERIB-HZPDHXFCSA-N 1 3 315.477 2.152 20 0 DEADHO CCOC(=O)[C@H]1CC12CCC([N@@H+]1C[C@H]3CCN(C)C[C@H]3C1)CC2 ZINC001173613770 793770101 /nfs/dbraw/zinc/77/01/01/793770101.db2.gz XYKDDZWFOLMYML-XAZSACEBSA-N 1 3 320.477 2.382 20 0 DEADHO CCOC(=O)[C@H]1CC12CCC([N@H+]1C[C@H]3CCN(C)C[C@H]3C1)CC2 ZINC001173613770 793770110 /nfs/dbraw/zinc/77/01/10/793770110.db2.gz XYKDDZWFOLMYML-XAZSACEBSA-N 1 3 320.477 2.382 20 0 DEADHO COC(=O)c1ccc(C[C@H](C)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC001173730409 793847457 /nfs/dbraw/zinc/84/74/57/793847457.db2.gz OBWMMVJJNDKUJG-KXBFYZLASA-N 1 3 316.445 2.432 20 0 DEADHO COC(=O)c1ccc(C[C@H](C)N2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC001173730409 793847465 /nfs/dbraw/zinc/84/74/65/793847465.db2.gz OBWMMVJJNDKUJG-KXBFYZLASA-N 1 3 316.445 2.432 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001174691999 794041760 /nfs/dbraw/zinc/04/17/60/794041760.db2.gz OLKNJXDDZDDARJ-LBPRGKRZSA-N 1 3 318.396 2.257 20 0 DEADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C)N(C)C ZINC001103443637 794093717 /nfs/dbraw/zinc/09/37/17/794093717.db2.gz DUXUWVNQLFEIAS-OIISXLGYSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C)N(C)C ZINC001103443637 794093722 /nfs/dbraw/zinc/09/37/22/794093722.db2.gz DUXUWVNQLFEIAS-OIISXLGYSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001103676981 794188529 /nfs/dbraw/zinc/18/85/29/794188529.db2.gz DMTYTFOTGVVIFT-SQWLQELKSA-N 1 3 320.481 2.381 20 0 DEADHO CC[C@H](C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001103676981 794188532 /nfs/dbraw/zinc/18/85/32/794188532.db2.gz DMTYTFOTGVVIFT-SQWLQELKSA-N 1 3 320.481 2.381 20 0 DEADHO Cc1cc(N2CCN(C)CC2)ccc1NC1=CCC[N@H+](C)C1 ZINC001175578957 794247452 /nfs/dbraw/zinc/24/74/52/794247452.db2.gz LPFHNDCYWDOQRP-UHFFFAOYSA-N 1 3 300.450 2.378 20 0 DEADHO Cc1cc(N2CCN(C)CC2)ccc1NC1=CCC[N@@H+](C)C1 ZINC001175578957 794247456 /nfs/dbraw/zinc/24/74/56/794247456.db2.gz LPFHNDCYWDOQRP-UHFFFAOYSA-N 1 3 300.450 2.378 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]C[C@@H](F)CC ZINC001176286408 794390815 /nfs/dbraw/zinc/39/08/15/794390815.db2.gz VJNAWFWVELZCNJ-GJZGRUSLSA-N 1 3 303.466 2.341 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]C[C@@H](CC)OC ZINC001176285252 794391572 /nfs/dbraw/zinc/39/15/72/794391572.db2.gz NYYDCBWTWNINQA-JKSUJKDBSA-N 1 3 315.502 2.018 20 0 DEADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cnc(Cl)c(C)c2)CC1 ZINC001177724686 794729147 /nfs/dbraw/zinc/72/91/47/794729147.db2.gz IBEDIEQSUBRVJE-CQSZACIVSA-N 1 3 324.900 2.407 20 0 DEADHO CN(C)[C@H](C(=O)NCC1([NH2+]CCCF)CCCCC1)C1CC1 ZINC001115573111 794826304 /nfs/dbraw/zinc/82/63/04/794826304.db2.gz ILAIDKOBFHXMJW-HNNXBMFYSA-N 1 3 313.461 2.095 20 0 DEADHO C[C@H](F)CC[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@H]1C ZINC001179550002 795135369 /nfs/dbraw/zinc/13/53/69/795135369.db2.gz PJTFDVLWJJIGHD-KKUMJFAQSA-N 1 3 315.477 2.291 20 0 DEADHO C[C@H](F)CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H]1C ZINC001179546086 795135461 /nfs/dbraw/zinc/13/54/61/795135461.db2.gz CKAFNDKHXKORAI-KKUMJFAQSA-N 1 3 313.461 2.045 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCCCCCC[NH2+]C/C=C/Cl ZINC001179580472 795145220 /nfs/dbraw/zinc/14/52/20/795145220.db2.gz HQZGYVJPABPTDO-HEWZJLJBSA-N 1 3 315.889 2.489 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C)c2)[C@@H]1C ZINC001179762967 795174550 /nfs/dbraw/zinc/17/45/50/795174550.db2.gz DASZKVDFSIDYII-WMZOPIPTSA-N 1 3 317.477 2.416 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(F)c2)[C@@H]1C ZINC001179764281 795174699 /nfs/dbraw/zinc/17/46/99/795174699.db2.gz XTLDOPQYUHWUHH-YOEHRIQHSA-N 1 3 321.440 2.247 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC2CCCCC2)[C@@H]1C ZINC001179983243 795214949 /nfs/dbraw/zinc/21/49/49/795214949.db2.gz QNOSAYDHGWMTBQ-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)NCCCCCC[NH2+]Cc1cc(C)no1 ZINC001180120888 795245030 /nfs/dbraw/zinc/24/50/30/795245030.db2.gz AKGNWYBRRNBCRK-UHFFFAOYSA-N 1 3 324.469 2.091 20 0 DEADHO CCCN(C)CC(=O)NCCCCCC[NH2+]C[C@@H](F)CC ZINC001180124541 795245576 /nfs/dbraw/zinc/24/55/76/795245576.db2.gz ZHTLUWCJUDYONA-HNNXBMFYSA-N 1 3 303.466 2.343 20 0 DEADHO CCCN(C)CC(=O)NCCCCCC[NH2+]Cc1cnoc1C ZINC001180123867 795245772 /nfs/dbraw/zinc/24/57/72/795245772.db2.gz LYTONZIXBYFODY-UHFFFAOYSA-N 1 3 324.469 2.091 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCCCCC[NH2+]CC[C@@H](C)F ZINC001180159015 795252945 /nfs/dbraw/zinc/25/29/45/795252945.db2.gz UFHVFRWNQDCJOT-CYBMUJFWSA-N 1 3 312.433 2.275 20 0 DEADHO CC[C@H](F)C[NH2+]C1(CNC(=O)CN(C)C(C)C)CCCCC1 ZINC001120208264 795422233 /nfs/dbraw/zinc/42/22/33/795422233.db2.gz XOMBXVRIPKOVEQ-HNNXBMFYSA-N 1 3 315.477 2.483 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001181653356 795514052 /nfs/dbraw/zinc/51/40/52/795514052.db2.gz YTVBPQHYBMTTOO-OLZOCXBDSA-N 1 3 321.387 2.004 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CC2)C1 ZINC001181941226 795565746 /nfs/dbraw/zinc/56/57/46/795565746.db2.gz CDJQEPSDSKMCNW-RDTXWAMCSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001121246123 795607527 /nfs/dbraw/zinc/60/75/27/795607527.db2.gz MACQDOCCCCFPKK-KICZYLIISA-N 1 3 321.509 2.390 20 0 DEADHO CC(C)[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CC1CCC1)C2)N(C)C ZINC001121267450 795610008 /nfs/dbraw/zinc/61/00/08/795610008.db2.gz MYOQCCVQOQHEBP-RFSHTEQGSA-N 1 3 321.509 2.390 20 0 DEADHO CC[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CC1CCC1)C2)N(C)C ZINC001121798012 795688911 /nfs/dbraw/zinc/68/89/11/795688911.db2.gz DQGBRXCXWZPNTE-HVEGKCCWSA-N 1 3 307.482 2.144 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC2CC2)C1)N(C)C ZINC001182517367 795697181 /nfs/dbraw/zinc/69/71/81/795697181.db2.gz RCXDOKLHIANXSM-SZVBFZGTSA-N 1 3 323.525 2.447 20 0 DEADHO CCC[NH2+]C[C@]1(C)CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001182623295 795713678 /nfs/dbraw/zinc/71/36/78/795713678.db2.gz GQYAVSJZPKUTDK-CRAIPNDOSA-N 1 3 309.498 2.203 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC(C)C)C1)N(C)C ZINC001182637346 795717213 /nfs/dbraw/zinc/71/72/13/795717213.db2.gz ALZUEAHPCZAKJV-SOLBZPMBSA-N 1 3 311.514 2.447 20 0 DEADHO CN(C(=O)CCCCC1CC[NH2+]CC1)[C@@H]1CN2CCC1CC2 ZINC001122178699 795732840 /nfs/dbraw/zinc/73/28/40/795732840.db2.gz LSNTVBGEGSWCDW-QGZVFWFLSA-N 1 3 307.482 2.099 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@]1(C)CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001182932637 795786457 /nfs/dbraw/zinc/78/64/57/795786457.db2.gz COEJIPYYNIIZHX-HLLBOEOZSA-N 1 3 315.477 2.151 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@]1(C)CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001182934253 795787051 /nfs/dbraw/zinc/78/70/51/795787051.db2.gz VNXRFOWLPYUAQC-JFIYKMOQSA-N 1 3 311.514 2.449 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]CCCC3CCC3)C2)CCC1 ZINC001183230175 795829832 /nfs/dbraw/zinc/82/98/32/795829832.db2.gz UOLVDWAKWUODFJ-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001183765176 795926419 /nfs/dbraw/zinc/92/64/19/795926419.db2.gz OVHIWSXZSNEDOG-OAHLLOKOSA-N 1 3 309.498 2.343 20 0 DEADHO CCCCC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001185214042 796214420 /nfs/dbraw/zinc/21/44/20/796214420.db2.gz GLVFBRJEWHAWQV-HUUCEWRRSA-N 1 3 306.454 2.217 20 0 DEADHO C[NH+]1CCC2(CCN(Cc3ccnn3[C@H]3CCCCO3)C2)CC1 ZINC001138783555 796277287 /nfs/dbraw/zinc/27/72/87/796277287.db2.gz WWWHNWIHMGMRMK-QGZVFWFLSA-N 1 3 318.465 2.500 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CC2CCC2)[C@H](C)C1 ZINC001185551475 796280854 /nfs/dbraw/zinc/28/08/54/796280854.db2.gz ZSSOIHRFJJXPQK-NVXWUHKLSA-N 1 3 309.498 2.203 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCc2ccsc2)C1)N(C)C ZINC001185715310 796308917 /nfs/dbraw/zinc/30/89/17/796308917.db2.gz AGBCCUYQWTTZSH-CVEARBPZSA-N 1 3 323.506 2.211 20 0 DEADHO COC(=O)c1ccc(CN(C)CC2CC[NH+](C(C)C)CC2)nc1 ZINC001139494200 796387226 /nfs/dbraw/zinc/38/72/26/796387226.db2.gz CRMHFPHVFBSCNA-UHFFFAOYSA-N 1 3 319.449 2.420 20 0 DEADHO CCN(CC)CC(=O)N1CCC([NH2+]Cc2csc(C)c2)CC1 ZINC001203010531 796487803 /nfs/dbraw/zinc/48/78/03/796487803.db2.gz QXQXROHJNCCOSE-UHFFFAOYSA-N 1 3 323.506 2.479 20 0 DEADHO CC(C)NC(=O)c1ccc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC001140617209 796546093 /nfs/dbraw/zinc/54/60/93/796546093.db2.gz HGTNJSKGFRXXKZ-IBGZPJMESA-N 1 3 315.461 2.352 20 0 DEADHO CC(C)NC(=O)c1ccc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC001140617209 796546097 /nfs/dbraw/zinc/54/60/97/796546097.db2.gz HGTNJSKGFRXXKZ-IBGZPJMESA-N 1 3 315.461 2.352 20 0 DEADHO COc1cc(C)cc(C[NH+]2CCC(N3CCN(C)CC3)CC2)c1 ZINC001143158104 796806013 /nfs/dbraw/zinc/80/60/13/796806013.db2.gz UYNRUMJCJGRRMW-UHFFFAOYSA-N 1 3 317.477 2.215 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC[NH2+]CCC(F)(F)F)c1 ZINC001152245811 797162064 /nfs/dbraw/zinc/16/20/64/797162064.db2.gz MTPCZTBKKGBDTM-UHFFFAOYSA-N 1 3 317.355 2.020 20 0 DEADHO Cc1ccc(CNCCNC(=O)CC[NH+]2CCCCC2)cc1F ZINC001152348946 797174934 /nfs/dbraw/zinc/17/49/34/797174934.db2.gz UBKPSXCOMZCJQF-UHFFFAOYSA-N 1 3 321.440 2.216 20 0 DEADHO CN(Cc1ccc(F)cc1)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192007910 797304635 /nfs/dbraw/zinc/30/46/35/797304635.db2.gz SWRXMXJNJSSOLJ-KRWDZBQOSA-N 1 3 321.440 2.200 20 0 DEADHO CC(C)CCC[N@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001192353171 797370208 /nfs/dbraw/zinc/37/02/08/797370208.db2.gz BGHOFEVXLYACSA-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001192353171 797370215 /nfs/dbraw/zinc/37/02/15/797370215.db2.gz BGHOFEVXLYACSA-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([N@H+](C)CCCCCF)C2)C1 ZINC001192355603 797372209 /nfs/dbraw/zinc/37/22/09/797372209.db2.gz RFTPVZRETRSKQX-HOTGVXAUSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CCCCCF)C2)C1 ZINC001192355603 797372212 /nfs/dbraw/zinc/37/22/12/797372212.db2.gz RFTPVZRETRSKQX-HOTGVXAUSA-N 1 3 313.461 2.001 20 0 DEADHO c1cnc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)c(CN2CCCC2)c1 ZINC001155635352 797812785 /nfs/dbraw/zinc/81/27/85/797812785.db2.gz JEZPLGVTJVAGRI-SJLPKXTDSA-N 1 3 316.449 2.000 20 0 DEADHO [NH3+]Cc1cc2cc(Cl)ccc2n1-c1ncnc2c1CCNC2 ZINC001155989163 797899462 /nfs/dbraw/zinc/89/94/62/797899462.db2.gz BILFYUSGRNTBEO-UHFFFAOYSA-N 1 3 313.792 2.178 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC[N@H+](CC2CC(C)C2)CC1 ZINC001196341447 798041595 /nfs/dbraw/zinc/04/15/95/798041595.db2.gz PHDQSENPGCRIBN-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC[N@@H+](CC2CC(C)C2)CC1 ZINC001196341447 798041601 /nfs/dbraw/zinc/04/16/01/798041601.db2.gz PHDQSENPGCRIBN-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO Cc1cccc(CN2CCCN(C(=O)CCC[NH+](C)C)CC2)c1 ZINC001196970683 798127900 /nfs/dbraw/zinc/12/79/00/798127900.db2.gz QNCBMBHIIWLCEY-UHFFFAOYSA-N 1 3 317.477 2.371 20 0 DEADHO C[C@H]1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)Cc2ccccc21 ZINC001157982545 798320565 /nfs/dbraw/zinc/32/05/65/798320565.db2.gz OMUCWEJPGWRDNT-WMLDXEAASA-N 1 3 313.445 2.007 20 0 DEADHO C[C@H]1CN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)Cc2ccccc21 ZINC001157982545 798320570 /nfs/dbraw/zinc/32/05/70/798320570.db2.gz OMUCWEJPGWRDNT-WMLDXEAASA-N 1 3 313.445 2.007 20 0 DEADHO C[C@H](F)CC[NH2+]CCCNC(=O)C(C)(C)N1CCCCC1 ZINC001158079538 798338091 /nfs/dbraw/zinc/33/80/91/798338091.db2.gz FHPCIRPXKNRKCE-AWEZNQCLSA-N 1 3 301.450 2.095 20 0 DEADHO Cc1nc(N(C2CC[NH2+]CC2)C2CCN(C)CC2)ncc1Cl ZINC001158575641 798433424 /nfs/dbraw/zinc/43/34/24/798433424.db2.gz OXNFJGLCTXJVSW-UHFFFAOYSA-N 1 3 323.872 2.091 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC1CC1 ZINC001158786784 798468852 /nfs/dbraw/zinc/46/88/52/798468852.db2.gz GTWAIRRUFFJEDD-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC1CC1 ZINC001158786784 798468855 /nfs/dbraw/zinc/46/88/55/798468855.db2.gz GTWAIRRUFFJEDD-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CN(C)[C@H](C(=O)NCCC[NH2+]CCCc1ccccc1)C1CC1 ZINC001159932189 798627809 /nfs/dbraw/zinc/62/78/09/798627809.db2.gz OJBIVLCMHOTCPY-SFHVURJKSA-N 1 3 317.477 2.055 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159997518 798638161 /nfs/dbraw/zinc/63/81/61/798638161.db2.gz QEXKUMLMMOHPNR-UHFFFAOYSA-N 1 3 321.440 2.214 20 0 DEADHO CC/C=C/CC[NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001201037105 798709102 /nfs/dbraw/zinc/70/91/02/798709102.db2.gz CRIWRFPRLKLSGW-AATRIKPKSA-N 1 3 307.482 2.408 20 0 DEADHO CCC(CC)C[NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001201037085 798709116 /nfs/dbraw/zinc/70/91/16/798709116.db2.gz CAPBIDVPXFKNSL-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)C1(C)CN(C(=O)C[C@H]([NH3+])c2cccc3ccccc32)C1 ZINC001160646096 798714239 /nfs/dbraw/zinc/71/42/39/798714239.db2.gz VPHDSRUQNOLEJW-KRWDZBQOSA-N 1 3 311.429 2.392 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+]Cc1sccc1Cl)N(C)C ZINC001160883002 798754918 /nfs/dbraw/zinc/75/49/18/798754918.db2.gz DYAYEQAPLZEXSD-GFCCVEGCSA-N 1 3 317.886 2.338 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+]Cc1cc(C)ccc1F)N(C)C ZINC001160890198 798756193 /nfs/dbraw/zinc/75/61/93/798756193.db2.gz YIZGBBFYRVPGCQ-MRXNPFEDSA-N 1 3 309.429 2.070 20 0 DEADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](CC1CCCC1)CC2 ZINC001202137977 798832219 /nfs/dbraw/zinc/83/22/19/798832219.db2.gz AMIDLEBTVJODBZ-UHFFFAOYSA-N 1 3 317.477 2.001 20 0 DEADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](CC1CCCC1)CC2 ZINC001202137977 798832220 /nfs/dbraw/zinc/83/22/20/798832220.db2.gz AMIDLEBTVJODBZ-UHFFFAOYSA-N 1 3 317.477 2.001 20 0 DEADHO CCCc1ccc(C(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)s1 ZINC001161449152 798860902 /nfs/dbraw/zinc/86/09/02/798860902.db2.gz KFANHZTVZPGVDX-AWEZNQCLSA-N 1 3 323.506 2.456 20 0 DEADHO C[C@@H](CC(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001161442717 798860996 /nfs/dbraw/zinc/86/09/96/798860996.db2.gz FRXVSNZLKZKRAV-WMZOPIPTSA-N 1 3 317.477 2.322 20 0 DEADHO CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)CN(CC)CC)C2 ZINC001110617049 798922642 /nfs/dbraw/zinc/92/26/42/798922642.db2.gz ZWAHUYJJWXEASG-QXSJWSMHSA-N 1 3 313.461 2.188 20 0 DEADHO CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)CN(CC)CC)C2 ZINC001110617049 798922646 /nfs/dbraw/zinc/92/26/46/798922646.db2.gz ZWAHUYJJWXEASG-QXSJWSMHSA-N 1 3 313.461 2.188 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCCCC3)C[C@H]21)N(C)C ZINC001114464479 799129013 /nfs/dbraw/zinc/12/90/13/799129013.db2.gz VAXRNKNDQSTPOS-XDNAFOTISA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCCCC3)C[C@H]21)N(C)C ZINC001114464479 799129016 /nfs/dbraw/zinc/12/90/16/799129016.db2.gz VAXRNKNDQSTPOS-XDNAFOTISA-N 1 3 321.509 2.343 20 0 DEADHO CCC[NH2+]CCN(CCc1ccccc1)C(=O)CN(C)CCC ZINC001162987761 799216282 /nfs/dbraw/zinc/21/62/82/799216282.db2.gz XHAAHYDICIHQTH-UHFFFAOYSA-N 1 3 319.493 2.399 20 0 DEADHO C[C@@H](CNC(=O)CC[NH2+]CC1CC1)N(C)Cc1ccccc1 ZINC000717202206 799259650 /nfs/dbraw/zinc/25/96/50/799259650.db2.gz WOOZFBOXBYEFPZ-HNNXBMFYSA-N 1 3 303.450 2.013 20 0 DEADHO c1ccc(-c2cnccc2N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)cc1 ZINC001163329421 799312918 /nfs/dbraw/zinc/31/29/18/799312918.db2.gz YHDPUYQCMLXMIP-VQIMIIECSA-N 1 3 309.413 2.494 20 0 DEADHO C[C@H]([NH2+]CCCNC(=O)CN1CCC[C@@H]1C)c1ccc(F)cc1 ZINC001166626961 799904894 /nfs/dbraw/zinc/90/48/94/799904894.db2.gz NCWOMEOBKKOZRB-GJZGRUSLSA-N 1 3 321.440 2.467 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]C/C=C/c1ccccc1 ZINC001166633358 799907029 /nfs/dbraw/zinc/90/70/29/799907029.db2.gz DXLASVGAPHIMFM-OPGUWZMBSA-N 1 3 315.461 2.280 20 0 DEADHO Cc1cccc(C)c1C[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166633670 799907271 /nfs/dbraw/zinc/90/72/71/799907271.db2.gz JGUSBRGPTXECBB-QGZVFWFLSA-N 1 3 317.477 2.384 20 0 DEADHO Cc1ccc(C)c(C[NH2+]CCCNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001166667999 799916006 /nfs/dbraw/zinc/91/60/06/799916006.db2.gz NRBVYDWIQLDSRO-MRXNPFEDSA-N 1 3 317.477 2.241 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]([NH2+]CCC(C)C)C12CCC2 ZINC001203657936 800100414 /nfs/dbraw/zinc/10/04/14/800100414.db2.gz AHUCWBXXYIIOJC-JKSUJKDBSA-N 1 3 318.465 2.324 20 0 DEADHO CN1CCN(Cc2ccc(Nc3cc[nH+]c4c3CCC4)cc2)CC1 ZINC001204734233 800250988 /nfs/dbraw/zinc/25/09/88/800250988.db2.gz MNEOVKXTVVLMBH-UHFFFAOYSA-N 1 3 322.456 2.483 20 0 DEADHO [NH3+]C[C@]1(O)CCCN(Cc2cccn2-c2ccccc2F)CC1 ZINC001205221692 800321943 /nfs/dbraw/zinc/32/19/43/800321943.db2.gz WJGRCNCQSWMCJH-SFHVURJKSA-N 1 3 317.408 2.292 20 0 DEADHO C[C@@]1([NH3+])CCCN(Cc2cccc(CN3CCOCC3)c2)CC1 ZINC001205273847 800334144 /nfs/dbraw/zinc/33/41/44/800334144.db2.gz QDEQWSXYEFKDFC-LJQANCHMSA-N 1 3 317.477 2.222 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC)C1 ZINC001205452352 800358818 /nfs/dbraw/zinc/35/88/18/800358818.db2.gz AYYUAKNOGNLUKF-DLBZAZTESA-N 1 3 321.440 2.071 20 0 DEADHO C[C@@H]1CCN(Cc2cnn3ccc(Cl)nc23)CC[C@H]1C[NH3+] ZINC001205651953 800393499 /nfs/dbraw/zinc/39/34/99/800393499.db2.gz MNBJXQCGWFWHFG-NEPJUHHUSA-N 1 3 307.829 2.190 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC(C[NH2+]C/C=C\Cl)CC1)N(C)C ZINC001206169888 800483619 /nfs/dbraw/zinc/48/36/19/800483619.db2.gz SXZPDOUOSLCPRD-GTBONMDNSA-N 1 3 315.889 2.153 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC(C[NH2+]CC2CC(C)C2)CC1 ZINC001206954428 800639962 /nfs/dbraw/zinc/63/99/62/800639962.db2.gz IZJDXJUIWNRMGI-UHFFFAOYSA-N 1 3 309.498 2.201 20 0 DEADHO FCCN1CCN(CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207292119 800724794 /nfs/dbraw/zinc/72/47/94/800724794.db2.gz KACLNOJSLOBEPQ-UHFFFAOYSA-N 1 3 319.468 2.486 20 0 DEADHO C[N@H+]1C[C@H]2CN(CCc3ccc(Br)cc3)C[C@H]2C1 ZINC001207386369 800742681 /nfs/dbraw/zinc/74/26/81/800742681.db2.gz WIDAFOAZCSEUGV-OKILXGFUSA-N 1 3 309.251 2.485 20 0 DEADHO C[N@@H+]1C[C@H]2CN(CCc3ccc(Br)cc3)C[C@H]2C1 ZINC001207386369 800742684 /nfs/dbraw/zinc/74/26/84/800742684.db2.gz WIDAFOAZCSEUGV-OKILXGFUSA-N 1 3 309.251 2.485 20 0 DEADHO Cc1cccnc1N1CCN(CCC2CC[NH+](C)CC2)CC1 ZINC001207479081 800762992 /nfs/dbraw/zinc/76/29/92/800762992.db2.gz CVVAFXQRSSWYNZ-UHFFFAOYSA-N 1 3 302.466 2.244 20 0 DEADHO c1cnn(CCCN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001208077689 800908022 /nfs/dbraw/zinc/90/80/22/800908022.db2.gz AIPZAXQDELZIMY-KDURUIRLSA-N 1 3 310.445 2.337 20 0 DEADHO c1cnn(CCCN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001208077689 800908024 /nfs/dbraw/zinc/90/80/24/800908024.db2.gz AIPZAXQDELZIMY-KDURUIRLSA-N 1 3 310.445 2.337 20 0 DEADHO Cc1cccnc1N1CCN(CC2(C)CC[NH+](C)CC2)CC1 ZINC001208104442 800912512 /nfs/dbraw/zinc/91/25/12/800912512.db2.gz NFGVPONZULADNQ-UHFFFAOYSA-N 1 3 302.466 2.244 20 0 DEADHO CC/C=C/CC[NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208328917 800956663 /nfs/dbraw/zinc/95/66/63/800956663.db2.gz KLEMFDQIUJEULT-JFDDCEBESA-N 1 3 307.482 2.408 20 0 DEADHO CN1CCC[C@H](C[NH+]2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)C1 ZINC001208612629 801034424 /nfs/dbraw/zinc/03/44/24/801034424.db2.gz MXNVHAGHYIJPEB-XUVXKRRUSA-N 1 3 313.489 2.392 20 0 DEADHO C[NH+](C)CCC(=O)N1CCC[C@H](NCc2ccccc2Cl)C1 ZINC001209447376 801192381 /nfs/dbraw/zinc/19/23/81/801192381.db2.gz ZMSVQTBSHJJTAK-HNNXBMFYSA-N 1 3 323.868 2.372 20 0 DEADHO FC1(F)CN(C2CC[NH+](CCCN3CCCCC3)CC2)C1 ZINC001209451473 801193507 /nfs/dbraw/zinc/19/35/07/801193507.db2.gz ZVSZPAIGAGAPAT-UHFFFAOYSA-N 1 3 301.425 2.278 20 0 DEADHO CC[C@@H](C[N@@H+]1CC[C@]2(CCN(C)C2)C1)NC(=O)OC(C)(C)C ZINC001209465525 801195561 /nfs/dbraw/zinc/19/55/61/801195561.db2.gz GRWLWGHCFYERMK-YOEHRIQHSA-N 1 3 311.470 2.317 20 0 DEADHO CC[C@@H](C[N@H+]1CC[C@]2(CCN(C)C2)C1)NC(=O)OC(C)(C)C ZINC001209465525 801195564 /nfs/dbraw/zinc/19/55/64/801195564.db2.gz GRWLWGHCFYERMK-YOEHRIQHSA-N 1 3 311.470 2.317 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209661168 801248589 /nfs/dbraw/zinc/24/85/89/801248589.db2.gz UAXUXCCHYNBAKA-MRXNPFEDSA-N 1 3 307.482 2.265 20 0 DEADHO COC(=O)C[C@@H](C)N(Cc1ccccc1)Cc1c[nH+]ccc1N ZINC001209736045 801269346 /nfs/dbraw/zinc/26/93/46/801269346.db2.gz CEQNVTOZWKLQOM-CQSZACIVSA-N 1 3 313.401 2.448 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001229933295 801338161 /nfs/dbraw/zinc/33/81/61/801338161.db2.gz KFQHAQRLJAFSLG-HUUCEWRRSA-N 1 3 304.438 2.244 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccsc2)C1 ZINC001216002559 801925370 /nfs/dbraw/zinc/92/53/70/801925370.db2.gz VECIINNHVVAEPX-UKRRQHHQSA-N 1 3 309.479 2.026 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cc(C(C)(C)C)nn1C ZINC001218604577 802213625 /nfs/dbraw/zinc/21/36/25/802213625.db2.gz CTXGUHMQJDRRPH-ZDUSSCGKSA-N 1 3 323.485 2.152 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1nccc2cnccc21 ZINC001218637934 802218259 /nfs/dbraw/zinc/21/82/59/802218259.db2.gz TYEFNJIXLGJTAQ-HNNXBMFYSA-N 1 3 315.421 2.064 20 0 DEADHO C[C@@H](C(=O)Nc1cc([C@@H]2CCCN2)no1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001218709875 802230089 /nfs/dbraw/zinc/23/00/89/802230089.db2.gz BQLBQBDACFBWAD-LPWJVIDDSA-N 1 3 306.410 2.062 20 0 DEADHO Cc1nc2c(F)cccc2cc1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001218711199 802230793 /nfs/dbraw/zinc/23/07/93/802230793.db2.gz UDRADEMYNADDLJ-ZDUSSCGKSA-N 1 3 304.369 2.077 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1c(N)cccc1Cl ZINC001218909354 802257405 /nfs/dbraw/zinc/25/74/05/802257405.db2.gz PIVFDRUHSMTTTD-ZDUSSCGKSA-N 1 3 312.845 2.356 20 0 DEADHO NC1(C(=O)Nc2ccc(C3([NH3+])CCC3)cc2)Cc2ccccc2C1 ZINC001218973167 802268116 /nfs/dbraw/zinc/26/81/16/802268116.db2.gz XGYMFRWICQZVGN-UHFFFAOYSA-N 1 3 321.424 2.459 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccccc1-c1ncc[nH]1 ZINC001219167508 802291761 /nfs/dbraw/zinc/29/17/61/802291761.db2.gz AGOJYRDIJIKUED-AWEZNQCLSA-N 1 3 315.421 2.074 20 0 DEADHO N[C@H](CCC[NH3+])C(=O)Nc1ccccc1-c1ccc(Cl)cn1 ZINC001219400437 802322676 /nfs/dbraw/zinc/32/26/76/802322676.db2.gz NFYPDQUWFZTVBK-CYBMUJFWSA-N 1 3 318.808 2.407 20 0 DEADHO CC[NH+](CC)CCNC(=O)[C@H]1CCC[C@H](c2ccccc2)N1 ZINC001219555803 802345636 /nfs/dbraw/zinc/34/56/36/802345636.db2.gz SMXFXCKEDNQINX-IAGOWNOFSA-N 1 3 303.450 2.328 20 0 DEADHO O=C(N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)c1cc2c(s1)CNCC2 ZINC001220168085 802419740 /nfs/dbraw/zinc/41/97/40/802419740.db2.gz XRIMPKMZRKXIGO-CXAGYDPISA-N 1 3 319.474 2.046 20 0 DEADHO C=Cc1ccc(CNC(=O)[C@@H](N)CCCC[NH2+]C(C)C)cc1 ZINC001220219186 802428947 /nfs/dbraw/zinc/42/89/47/802428947.db2.gz SGCWRWSZCGBNDE-KRWDZBQOSA-N 1 3 303.450 2.441 20 0 DEADHO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H](N)CCCc1ccccc1 ZINC001220221222 802429004 /nfs/dbraw/zinc/42/90/04/802429004.db2.gz VOKHYSLLMBXZHI-BZSNNMDCSA-N 1 3 317.477 2.326 20 0 DEADHO N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220884582 802508461 /nfs/dbraw/zinc/50/84/61/802508461.db2.gz HUKHGIOLZMFBPF-OALUTQOASA-N 1 3 323.440 2.092 20 0 DEADHO CC(C)c1ccc([C@@H](C)NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cc1 ZINC001220964957 802516157 /nfs/dbraw/zinc/51/61/57/802516157.db2.gz VEUGOPHILXDWCG-LSBZLQRGSA-N 1 3 315.461 2.186 20 0 DEADHO N[C@H](CC(=O)NCCCC[NH3+])c1cccc(Cl)c1Cl ZINC001221348213 802558397 /nfs/dbraw/zinc/55/83/97/802558397.db2.gz WDIURGLQBOJVNO-LLVKDONJSA-N 1 3 304.221 2.238 20 0 DEADHO Clc1[nH]c2ccccc2c1CN1CCNC2(CC[NH2+]CC2)C1 ZINC001222091312 802641513 /nfs/dbraw/zinc/64/15/13/802641513.db2.gz PYUWNLLLCVDLOT-UHFFFAOYSA-N 1 3 318.852 2.349 20 0 DEADHO CCOC(=O)c1ccc(CCC[N@@H+]2CC[C@H]3CNCC[C@H]32)cc1 ZINC001222616027 802718216 /nfs/dbraw/zinc/71/82/16/802718216.db2.gz VXFTZAJMZJHGKG-ZWKOTPCHSA-N 1 3 316.445 2.480 20 0 DEADHO CCOC(=O)c1ccc(CCC[N@H+]2CC[C@H]3CNCC[C@H]32)cc1 ZINC001222616027 802718220 /nfs/dbraw/zinc/71/82/20/802718220.db2.gz VXFTZAJMZJHGKG-ZWKOTPCHSA-N 1 3 316.445 2.480 20 0 DEADHO CCOC(=O)c1ccc(CCCN2CC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001222616027 802718223 /nfs/dbraw/zinc/71/82/23/802718223.db2.gz VXFTZAJMZJHGKG-ZWKOTPCHSA-N 1 3 316.445 2.480 20 0 DEADHO CCC[N@H+](C)CCC(=O)NCC1CCN(C[C@@H](F)CC)CC1 ZINC001225244678 802946671 /nfs/dbraw/zinc/94/66/71/802946671.db2.gz LHYVYDYCXDQDEC-INIZCTEOSA-N 1 3 315.477 2.295 20 0 DEADHO CCC[N@@H+](C)CCC(=O)NCC1CCN(C[C@@H](F)CC)CC1 ZINC001225244678 802946675 /nfs/dbraw/zinc/94/66/75/802946675.db2.gz LHYVYDYCXDQDEC-INIZCTEOSA-N 1 3 315.477 2.295 20 0 DEADHO CC(C)N(C)CC(=O)NCC1CC[NH+](Cc2ccsc2)CC1 ZINC001225582342 802986759 /nfs/dbraw/zinc/98/67/59/802986759.db2.gz KQXTUEAFNDMSAV-UHFFFAOYSA-N 1 3 323.506 2.417 20 0 DEADHO CN(C)C1(C(=O)NC2CC[NH+](CCCCCF)CC2)CCC1 ZINC001227806909 803282798 /nfs/dbraw/zinc/28/27/98/803282798.db2.gz HPSCVINRNINKCB-UHFFFAOYSA-N 1 3 313.461 2.191 20 0 DEADHO CC/C=C/CC[NH+]1CCC(NC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001227818610 803283909 /nfs/dbraw/zinc/28/39/09/803283909.db2.gz XNTPERXTDXZGDD-FUTAKVPZSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCF)N1CCCC1 ZINC001227900941 803293246 /nfs/dbraw/zinc/29/32/46/803293246.db2.gz SKEVJGDCZWUVGT-HUUCEWRRSA-N 1 3 313.461 2.237 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001417790921 1167215517 /nfs/dbraw/zinc/21/55/17/1167215517.db2.gz IMRNVKMQEDFPAJ-VGWMRTNUSA-N 1 3 313.461 2.093 20 0 DEADHO CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](F)CN(CC)CC ZINC001418151475 1167441917 /nfs/dbraw/zinc/44/19/17/1167441917.db2.gz UZDGGSQDNBGOSO-LSDHHAIUSA-N 1 3 301.450 2.047 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1cc(C)ccc1C)N(C)C ZINC001418239011 1167511699 /nfs/dbraw/zinc/51/16/99/1167511699.db2.gz UIJVTCKKQYCAAN-NVXWUHKLSA-N 1 3 305.466 2.238 20 0 DEADHO CC[N@H+](CCNC(=O)CN(C)C(C)C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001418584494 1167827260 /nfs/dbraw/zinc/82/72/60/1167827260.db2.gz CLBSXMFKDZCUKP-IXDOHACOSA-N 1 3 309.498 2.201 20 0 DEADHO CC[N@@H+](CCNC(=O)CN(C)C(C)C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001418584494 1167827263 /nfs/dbraw/zinc/82/72/63/1167827263.db2.gz CLBSXMFKDZCUKP-IXDOHACOSA-N 1 3 309.498 2.201 20 0 DEADHO CC[N@@H+]1CC[C@H](CNCCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC001335395375 1150405503 /nfs/dbraw/zinc/40/55/03/1150405503.db2.gz UTNBMEOZBWJMTL-GFCCVEGCSA-N 1 3 311.376 2.225 20 0 DEADHO CC[N@H+]1CC[C@H](CNCCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC001335395375 1150405508 /nfs/dbraw/zinc/40/55/08/1150405508.db2.gz UTNBMEOZBWJMTL-GFCCVEGCSA-N 1 3 311.376 2.225 20 0 DEADHO CCN1CC[C@H](C[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC001335395375 1150405512 /nfs/dbraw/zinc/40/55/12/1150405512.db2.gz UTNBMEOZBWJMTL-GFCCVEGCSA-N 1 3 311.376 2.225 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@H](C[N@H+](C)CCC3CC3)C2)C1 ZINC001370302308 1149503616 /nfs/dbraw/zinc/50/36/16/1149503616.db2.gz IKAWRZXXIPFZKN-FUHWJXTLSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@H](C[N@@H+](C)CCC3CC3)C2)C1 ZINC001370302308 1149503642 /nfs/dbraw/zinc/50/36/42/1149503642.db2.gz IKAWRZXXIPFZKN-FUHWJXTLSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@H](F)CC[N@H+]1CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001404076539 1163423640 /nfs/dbraw/zinc/42/36/40/1163423640.db2.gz HBGPYPQWGKMNHJ-GJZGRUSLSA-N 1 3 315.477 2.151 20 0 DEADHO CC(C)(C)C(=O)N1CCC[C@H](C[N@@H+]2C[C@H]3CCC[C@@]3(N)C2)C1 ZINC001575098410 1069365654 /nfs/dbraw/zinc/36/56/54/1069365654.db2.gz CYPCFLVUKISMOG-IIDMSEBBSA-N 1 3 307.482 2.084 20 0 DEADHO CC(C)(C)C(=O)N1CCC[C@H](C[N@H+]2C[C@H]3CCC[C@@]3(N)C2)C1 ZINC001575098410 1069365672 /nfs/dbraw/zinc/36/56/72/1069365672.db2.gz CYPCFLVUKISMOG-IIDMSEBBSA-N 1 3 307.482 2.084 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)[C@@H]1[NH2+]CC[C@H]2CCCC[C@@H]21 ZINC001575139895 1069377172 /nfs/dbraw/zinc/37/71/72/1069377172.db2.gz OLWORPYRSXURBA-LVQVYYBASA-N 1 3 307.482 2.144 20 0 DEADHO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CC2(CN)CCC2)CC1 ZINC001575188349 1069388561 /nfs/dbraw/zinc/38/85/61/1069388561.db2.gz YEJPCGUHWZLJLU-AWEZNQCLSA-N 1 3 311.470 2.495 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2ccccc2)CCC1 ZINC001368494853 1148467092 /nfs/dbraw/zinc/46/70/92/1148467092.db2.gz UHZZMYYFNAXQJH-UHFFFAOYSA-N 1 3 303.450 2.157 20 0 DEADHO CN(CCC[N@H+](C)Cc1cccc(F)c1)C(=O)[C@@H]1CCCN1C ZINC001368522026 1148476704 /nfs/dbraw/zinc/47/67/04/1148476704.db2.gz DXJUOICEEJIEQE-KRWDZBQOSA-N 1 3 321.440 2.200 20 0 DEADHO CN(CCC[N@@H+](C)Cc1cccc(F)c1)C(=O)[C@@H]1CCCN1C ZINC001368522026 1148476713 /nfs/dbraw/zinc/47/67/13/1148476713.db2.gz DXJUOICEEJIEQE-KRWDZBQOSA-N 1 3 321.440 2.200 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)CCC[N@H+](C)CC2CCCC2)C1 ZINC001368554513 1148492024 /nfs/dbraw/zinc/49/20/24/1148492024.db2.gz CPXVGTCJRKWXLJ-MRXNPFEDSA-N 1 3 309.498 2.299 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)CCC[N@@H+](C)CC2CCCC2)C1 ZINC001368554513 1148492027 /nfs/dbraw/zinc/49/20/27/1148492027.db2.gz CPXVGTCJRKWXLJ-MRXNPFEDSA-N 1 3 309.498 2.299 20 0 DEADHO Cc1ccccc1C[N@H+]1CC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001493267249 1057658351 /nfs/dbraw/zinc/65/83/51/1057658351.db2.gz OEKJPNLIEJRFAX-KRWDZBQOSA-N 1 3 317.477 2.273 20 0 DEADHO Cc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001493267249 1057658355 /nfs/dbraw/zinc/65/83/55/1057658355.db2.gz OEKJPNLIEJRFAX-KRWDZBQOSA-N 1 3 317.477 2.273 20 0 DEADHO CC(C)CCOCCN1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001460948279 1058545486 /nfs/dbraw/zinc/54/54/86/1058545486.db2.gz TWSKSYUVJDSWBP-UHFFFAOYSA-N 1 3 312.498 2.362 20 0 DEADHO COc1cc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)ccc1F ZINC001461342730 1058642707 /nfs/dbraw/zinc/64/27/07/1058642707.db2.gz DRUDAPDELIKFAW-DLBZAZTESA-N 1 3 322.424 2.302 20 0 DEADHO CN1C[C@@H]2CC[C@H]([NH2+]C[C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)[C@H]2C1 ZINC001462672927 1058882041 /nfs/dbraw/zinc/88/20/41/1058882041.db2.gz WGSXIECYNVLLAR-QMHWVQJVSA-N 1 3 323.481 2.220 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCN(C3CC3)C[C@@H](C)C2)C1 ZINC001468521422 1059800720 /nfs/dbraw/zinc/80/07/20/1059800720.db2.gz CQAPGDPPRDQSOK-CVEARBPZSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](C(=O)N2CCN(C3CC3)C[C@@H](C)C2)C1 ZINC001468521422 1059800744 /nfs/dbraw/zinc/80/07/44/1059800744.db2.gz CQAPGDPPRDQSOK-CVEARBPZSA-N 1 3 307.482 2.050 20 0 DEADHO CC1CC(C[N@@H+]2CCC[C@@H](NC(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001502126166 1059966588 /nfs/dbraw/zinc/96/65/88/1059966588.db2.gz RMHVMCJXGTWCEE-OFLPRAFFSA-N 1 3 321.509 2.488 20 0 DEADHO CC1CC(C[N@H+]2CCC[C@@H](NC(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001502126166 1059966612 /nfs/dbraw/zinc/96/66/12/1059966612.db2.gz RMHVMCJXGTWCEE-OFLPRAFFSA-N 1 3 321.509 2.488 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCC=C(Cl)Cl)C1 ZINC001502750169 1060271164 /nfs/dbraw/zinc/27/11/64/1060271164.db2.gz CSCSLBIVLXBDLA-NEPJUHHUSA-N 1 3 322.280 2.084 20 0 DEADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCC=C(Cl)Cl)C1 ZINC001502750169 1060271143 /nfs/dbraw/zinc/27/11/43/1060271143.db2.gz CSCSLBIVLXBDLA-NEPJUHHUSA-N 1 3 322.280 2.084 20 0 DEADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]CC1=CCCCC1 ZINC001505625769 1060791528 /nfs/dbraw/zinc/79/15/28/1060791528.db2.gz NNBWVYFQPMFMQO-GJZGRUSLSA-N 1 3 307.482 2.454 20 0 DEADHO CC1(C)OCC[C@H]1C[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001474636435 1060905372 /nfs/dbraw/zinc/90/53/72/1060905372.db2.gz KLTRYGXVTCIRQZ-HJOIGYKYSA-N 1 3 310.482 2.425 20 0 DEADHO CN(C(=O)NCC1([NH+](C)C)CCCCCC1)[C@H]1CCCN(C)C1 ZINC001477331083 1061165514 /nfs/dbraw/zinc/16/55/14/1061165514.db2.gz JWCZLIPTHQLNEA-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001479408900 1061444315 /nfs/dbraw/zinc/44/43/15/1061444315.db2.gz MLNGJLFLYBEABU-JCNLHEQBSA-N 1 3 321.509 2.393 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CC=C(C)C)CC[C@@H]2C1 ZINC001479672194 1061582856 /nfs/dbraw/zinc/58/28/56/1061582856.db2.gz CZLWBAGCMQFAPS-SJORKVTESA-N 1 3 307.482 2.075 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CC=C(C)C)CC[C@@H]2C1 ZINC001479672194 1061582898 /nfs/dbraw/zinc/58/28/98/1061582898.db2.gz CZLWBAGCMQFAPS-SJORKVTESA-N 1 3 307.482 2.075 20 0 DEADHO CC(C)[C@@H](CCNC(=O)[C@@H]1CCCCN1C(C)C)[NH2+]CCF ZINC001506990666 1062642527 /nfs/dbraw/zinc/64/25/27/1062642527.db2.gz NIQHWMHDABTUBM-CVEARBPZSA-N 1 3 315.477 2.339 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC1)N1CCCC1 ZINC001480331949 1062669680 /nfs/dbraw/zinc/66/96/80/1062669680.db2.gz OFSPAKHJJPSZNV-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC1CC1)N1CCCC1 ZINC001480331949 1062669690 /nfs/dbraw/zinc/66/96/90/1062669690.db2.gz OFSPAKHJJPSZNV-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC1CC1)N1CCCC1 ZINC001480331947 1062669729 /nfs/dbraw/zinc/66/97/29/1062669729.db2.gz OFSPAKHJJPSZNV-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1CC1CC1)N1CCCC1 ZINC001480331947 1062669735 /nfs/dbraw/zinc/66/97/35/1062669735.db2.gz OFSPAKHJJPSZNV-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](C)N1CCCCCC1 ZINC001507026248 1062689025 /nfs/dbraw/zinc/68/90/25/1062689025.db2.gz GRZKZQODANBEOC-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCC(F)(F)F ZINC001480549860 1063021985 /nfs/dbraw/zinc/02/19/85/1063021985.db2.gz VERGOICTJGWUPL-QWHCGFSZSA-N 1 3 323.403 2.296 20 0 DEADHO Cc1ccc(F)c(CN[C@@H]2C[C@@H](C)N(C(=O)CC[NH+](C)C)C2)c1 ZINC001507319691 1063087976 /nfs/dbraw/zinc/08/79/76/1063087976.db2.gz KYGCJQCGKLOUPT-GDBMZVCRSA-N 1 3 321.440 2.165 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC2CC3(CCC3)C2)C[C@H]1C ZINC001507326765 1063101171 /nfs/dbraw/zinc/10/11/71/1063101171.db2.gz GPDYEVUOEZIBLG-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO CN(CC(=O)N1CC[C@@H](C[NH2+]C/C=C/Cl)C1)CC(C)(C)C ZINC001480664846 1063160126 /nfs/dbraw/zinc/16/01/26/1063160126.db2.gz FQXZVJAOHRBXND-DYLGSBMWSA-N 1 3 315.889 2.155 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@@H](NCc2nccs2)C1 ZINC001480697660 1063203746 /nfs/dbraw/zinc/20/37/46/1063203746.db2.gz HEGVWHGGRPHJLP-ZIAGYGMSSA-N 1 3 324.494 2.002 20 0 DEADHO C[C@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccccc1 ZINC001480789316 1063344166 /nfs/dbraw/zinc/34/41/66/1063344166.db2.gz COAGBEFPYGCUFD-JKSUJKDBSA-N 1 3 303.450 2.013 20 0 DEADHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccccc1 ZINC001480789315 1063345099 /nfs/dbraw/zinc/34/50/99/1063345099.db2.gz COAGBEFPYGCUFD-HZPDHXFCSA-N 1 3 303.450 2.013 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC001480813587 1063377431 /nfs/dbraw/zinc/37/74/31/1063377431.db2.gz IWCBQXYZFRUZKE-QAPCUYQASA-N 1 3 317.477 2.499 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CC[N@H+](CC2CCCC2)C1)N1CCCC1 ZINC001493223119 1063649412 /nfs/dbraw/zinc/64/94/12/1063649412.db2.gz MAVDZMLWHYHGAQ-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CC[N@@H+](CC2CCCC2)C1)N1CCCC1 ZINC001493223119 1063649416 /nfs/dbraw/zinc/64/94/16/1063649416.db2.gz MAVDZMLWHYHGAQ-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO Cc1cc(C[NH2+]CCN(C)C(=O)[C@H](C(C)C)N(C)C)cs1 ZINC001493586038 1063875254 /nfs/dbraw/zinc/87/52/54/1063875254.db2.gz CFIARYIDBOOHSI-HNNXBMFYSA-N 1 3 311.495 2.191 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@@H]1CCc2c1cccc2F ZINC001493769343 1063954942 /nfs/dbraw/zinc/95/49/42/1063954942.db2.gz MTHDCPAXILOVAJ-QGZVFWFLSA-N 1 3 321.440 2.203 20 0 DEADHO CN(CCNCc1ccsc1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001567516448 1064232621 /nfs/dbraw/zinc/23/26/21/1064232621.db2.gz UGQQOEJDMMYGOT-UHFFFAOYSA-N 1 3 321.490 2.172 20 0 DEADHO Cc1nc(C(C)C)ccc1CNCCN(C)C(=O)CC[NH+](C)C ZINC001567555650 1064250834 /nfs/dbraw/zinc/25/08/34/1064250834.db2.gz WYYARAJFBRHXIU-UHFFFAOYSA-N 1 3 320.481 2.013 20 0 DEADHO Cc1cccc([C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]2CCCN2C)c1 ZINC001568828296 1065144317 /nfs/dbraw/zinc/14/43/17/1065144317.db2.gz XCJQRZFURJINEU-CJEFGCBOSA-N 1 3 315.461 2.412 20 0 DEADHO C[C@H](C[N@H+](C)CC1=CCCCC1)NC(=O)CN(C)C1CCC1 ZINC001569122334 1065305294 /nfs/dbraw/zinc/30/52/94/1065305294.db2.gz ZWBRWPMBLDFLSP-OAHLLOKOSA-N 1 3 307.482 2.408 20 0 DEADHO C[C@H](C[N@@H+](C)CC1=CCCCC1)NC(=O)CN(C)C1CCC1 ZINC001569122334 1065305307 /nfs/dbraw/zinc/30/53/07/1065305307.db2.gz ZWBRWPMBLDFLSP-OAHLLOKOSA-N 1 3 307.482 2.408 20 0 DEADHO CN(CC(=O)N1CCCC[C@H]1CC[NH2+]CCF)CC(C)(C)C ZINC001496412749 1065455879 /nfs/dbraw/zinc/45/58/79/1065455879.db2.gz WMJQUSTWZFZKHH-HNNXBMFYSA-N 1 3 315.477 2.295 20 0 DEADHO CCCCCN1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001569369619 1065465818 /nfs/dbraw/zinc/46/58/18/1065465818.db2.gz IKBLJTUHDMWMBC-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO CCCCCN1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001569369619 1065465825 /nfs/dbraw/zinc/46/58/25/1065465825.db2.gz IKBLJTUHDMWMBC-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO CCN(CCNC/C=C/Cl)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001497403721 1066075664 /nfs/dbraw/zinc/07/56/64/1066075664.db2.gz MYHYISYBWORLCS-KVEVGEHQSA-N 1 3 301.862 2.051 20 0 DEADHO CCN(CCNC/C=C/Cl)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001497403721 1066075671 /nfs/dbraw/zinc/07/56/71/1066075671.db2.gz MYHYISYBWORLCS-KVEVGEHQSA-N 1 3 301.862 2.051 20 0 DEADHO CN(CC(=O)NC/C=C/C[NH2+]Cc1cccc(F)c1)C1CCC1 ZINC001497597306 1066184102 /nfs/dbraw/zinc/18/41/02/1066184102.db2.gz OHBWLGMIKNAOTG-NSCUHMNNSA-N 1 3 319.424 2.072 20 0 DEADHO CC(C)(C[NH3+])C1CCN(Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC001575310541 1066262739 /nfs/dbraw/zinc/26/27/39/1066262739.db2.gz KVINCROHSRQMGW-UHFFFAOYSA-N 1 3 317.433 2.214 20 0 DEADHO CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc1c(C)cccc1C)N(C)C ZINC001497727996 1066269719 /nfs/dbraw/zinc/26/97/19/1066269719.db2.gz QBUUZKOPWARBAL-DVBCCOPCSA-N 1 3 317.477 2.406 20 0 DEADHO CC(C)N(C(=O)[C@H]1C[C@H]([NH3+])C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001575681733 1066399848 /nfs/dbraw/zinc/39/98/48/1066399848.db2.gz RUHONEQWQJKJET-KZNAEPCWSA-N 1 3 315.461 2.235 20 0 DEADHO CC(C)c1cc([C@@H]2CCCN(Cc3c(C[NH3+])cnn3C)C2)n[nH]1 ZINC001575850517 1066444328 /nfs/dbraw/zinc/44/43/28/1066444328.db2.gz QBMROXUXGXKFJJ-CYBMUJFWSA-N 1 3 316.453 2.105 20 0 DEADHO CC(C)c1cc([C@@H]2CCCN(Cc3c(C[NH3+])cnn3C)C2)[nH]n1 ZINC001575850517 1066444332 /nfs/dbraw/zinc/44/43/32/1066444332.db2.gz QBMROXUXGXKFJJ-CYBMUJFWSA-N 1 3 316.453 2.105 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC[C@@H]1CCCC1(F)F)N(C)C ZINC001498115121 1066511648 /nfs/dbraw/zinc/51/16/48/1066511648.db2.gz OHKCIGXZTPTNAO-IHRRRGAJSA-N 1 3 319.440 2.246 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001498196966 1066550879 /nfs/dbraw/zinc/55/08/79/1066550879.db2.gz DASKLLJGGDSKFE-RYUDHWBXSA-N 1 3 324.296 2.005 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC2(CN)CCC2)CCN1C(=O)OC(C)(C)C ZINC001576623370 1066648205 /nfs/dbraw/zinc/64/82/05/1066648205.db2.gz KDGSRFUCEFMZGA-ZIAGYGMSSA-N 1 3 311.470 2.493 20 0 DEADHO Cc1ccc(CN(C)C[C@H](C)NC(=O)CC[NH+](C)C)cc1F ZINC001498394807 1066676725 /nfs/dbraw/zinc/67/67/25/1066676725.db2.gz MFGNVGNQENAIHC-AWEZNQCLSA-N 1 3 309.429 2.022 20 0 DEADHO CCCN(C)[C@H](CNC(=O)[C@H]1C[C@H]1C[NH3+])c1ccc(Cl)cc1 ZINC001577495640 1066859411 /nfs/dbraw/zinc/85/94/11/1066859411.db2.gz UDZCKPQIPYHMQM-CWRNSKLLSA-N 1 3 323.868 2.434 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)C2(F)CC[NH2+]CC2)N(C)C)cc1 ZINC001578253644 1067034407 /nfs/dbraw/zinc/03/44/07/1067034407.db2.gz HYMPSMVAVVTURG-MRXNPFEDSA-N 1 3 321.440 2.060 20 0 DEADHO CN(C(=O)c1ccccc1C[NH3+])[C@@H]1CCN(Cc2ccccc2)C1 ZINC001578391731 1067079326 /nfs/dbraw/zinc/07/93/26/1067079326.db2.gz LDUWVHCUFPYLPH-GOSISDBHSA-N 1 3 323.440 2.492 20 0 DEADHO CN(C)C[C@H]1CCc2ccccc2N1C(=O)CC1([NH3+])CCC1 ZINC001578412885 1067091021 /nfs/dbraw/zinc/09/10/21/1067091021.db2.gz WHDYPVZUQPVJFB-OAHLLOKOSA-N 1 3 301.434 2.168 20 0 DEADHO CN(CC(=O)N(CC[NH3+])Cc1cccc(Cl)c1)C1CCC1 ZINC001578433486 1067099325 /nfs/dbraw/zinc/09/93/25/1067099325.db2.gz UTXMHBHDUAAMPZ-UHFFFAOYSA-N 1 3 309.841 2.112 20 0 DEADHO CN(Cc1cc(-c2ccccc2)n[nH]1)C[C@@]1(O)CCC[NH2+]CC1 ZINC001578486470 1067117527 /nfs/dbraw/zinc/11/75/27/1067117527.db2.gz XYVZURKOFYHVNH-GOSISDBHSA-N 1 3 314.433 2.013 20 0 DEADHO Cc1ccc(C[NH2+]C2(CNC(=O)CN(C)C3CCC3)CC2)cc1 ZINC001499249388 1067156140 /nfs/dbraw/zinc/15/61/40/1067156140.db2.gz RQBULILYQGTDIZ-UHFFFAOYSA-N 1 3 315.461 2.218 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@@H]2CC[N@H+](CCC)C2)CC1 ZINC001499477300 1067232736 /nfs/dbraw/zinc/23/27/36/1067232736.db2.gz BJYCTUKAIDDWKW-QGZVFWFLSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@@H]2CC[N@@H+](CCC)C2)CC1 ZINC001499477300 1067232741 /nfs/dbraw/zinc/23/27/41/1067232741.db2.gz BJYCTUKAIDDWKW-QGZVFWFLSA-N 1 3 309.498 2.299 20 0 DEADHO CSc1ccc([C@@H](CNC(=O)[C@H]([NH3+])C2CCC2)N(C)C)cc1 ZINC001579387800 1067322878 /nfs/dbraw/zinc/32/28/78/1067322878.db2.gz NFPXCYJQWVRKBJ-HZPDHXFCSA-N 1 3 321.490 2.255 20 0 DEADHO Cc1ccc([C@H](NCC[C@H]2CC[NH2+]C2)[C@@H](C)S(C)(=O)=O)cc1 ZINC001579671792 1067402646 /nfs/dbraw/zinc/40/26/46/1067402646.db2.gz OOVBKMAKJKMQRF-BFYDXBDKSA-N 1 3 324.490 2.058 20 0 DEADHO N[C@H](C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)C1CCCCCC1 ZINC001580108811 1067495369 /nfs/dbraw/zinc/49/53/69/1067495369.db2.gz IOCHMCBRSMISHO-SJORKVTESA-N 1 3 307.482 2.371 20 0 DEADHO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1ccc(C(F)F)nc1)CC2 ZINC001580257350 1067543844 /nfs/dbraw/zinc/54/38/44/1067543844.db2.gz KFJKTINBCGYRHU-ZDUSSCGKSA-N 1 3 311.376 2.349 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)CCC[NH2+]Cc2ccccc2F)C1 ZINC001483493435 1078567471 /nfs/dbraw/zinc/56/74/71/1078567471.db2.gz YPTRCYAJKGTORP-HNNXBMFYSA-N 1 3 321.440 2.106 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CCCCCF)C1)N(C)C ZINC001267114221 1078591324 /nfs/dbraw/zinc/59/13/24/1078591324.db2.gz YUUBLDYZHQHNBT-HOTGVXAUSA-N 1 3 315.477 2.389 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CCCCCF)C1)N(C)C ZINC001267114221 1078591330 /nfs/dbraw/zinc/59/13/30/1078591330.db2.gz YUUBLDYZHQHNBT-HOTGVXAUSA-N 1 3 315.477 2.389 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CC1CCCCC1 ZINC001267116564 1078594187 /nfs/dbraw/zinc/59/41/87/1078594187.db2.gz DMCUWMUIDFOFLG-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO Cc1ccc(C[NH2+]CCN(C)C(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001267387945 1078820633 /nfs/dbraw/zinc/82/06/33/1078820633.db2.gz WAMAWUBSDYDLLL-KRWDZBQOSA-N 1 3 305.466 2.129 20 0 DEADHO CC[C@@H]1CN(C(=O)NCC[N@@H+]2CCCC[C@H]2CC)[C@H](CC)CN1 ZINC001573717134 1069076999 /nfs/dbraw/zinc/07/69/99/1069076999.db2.gz FRLBTELDPDZTMB-BRWVUGGUSA-N 1 3 324.513 2.423 20 0 DEADHO CC[C@@H]1CN(C(=O)NCC[N@H+]2CCCC[C@H]2CC)[C@H](CC)CN1 ZINC001573717134 1069077003 /nfs/dbraw/zinc/07/70/03/1069077003.db2.gz FRLBTELDPDZTMB-BRWVUGGUSA-N 1 3 324.513 2.423 20 0 DEADHO CC[C@@H]1CN(C(=O)NC[C@@H](C)[NH+]2CCCCC2)[C@@H](CC)CN1 ZINC001573717810 1069077440 /nfs/dbraw/zinc/07/74/40/1069077440.db2.gz HUSZPCJMIQVGRR-OAGGEKHMSA-N 1 3 310.486 2.033 20 0 DEADHO CN(CCCC[NH+]1CCCCC1)C(=O)NC[C@H]1CCCCN1C ZINC001521262223 1069225476 /nfs/dbraw/zinc/22/54/76/1069225476.db2.gz ZPBQEIALSHPVIO-QGZVFWFLSA-N 1 3 324.513 2.378 20 0 DEADHO CCCCCC[NH+]1CCC2(CCN(CCN(C)C)C2=O)CC1 ZINC001272475170 1078906496 /nfs/dbraw/zinc/90/64/96/1078906496.db2.gz AGCPPKPPPUKRAQ-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001483740377 1078973974 /nfs/dbraw/zinc/97/39/74/1078973974.db2.gz CULFOOKYBAHWFY-HNNXBMFYSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC2(C[NH+](C3CCCC3)C2)CC1)N(C)C ZINC001272607851 1079003592 /nfs/dbraw/zinc/00/35/92/1079003592.db2.gz GYMZOVMALKTRFK-QGZVFWFLSA-N 1 3 321.509 2.440 20 0 DEADHO NC[C@]12CCC[C@@H]1C[N@H+](CCC(=O)Nc1ccc(F)cc1)C2 ZINC001549116202 1073028531 /nfs/dbraw/zinc/02/85/31/1073028531.db2.gz MCGVIGDOMGUXON-DYVFJYSZSA-N 1 3 305.397 2.215 20 0 DEADHO NC[C@]12CCC[C@@H]1C[N@@H+](CCC(=O)Nc1ccc(F)cc1)C2 ZINC001549116202 1073028541 /nfs/dbraw/zinc/02/85/41/1073028541.db2.gz MCGVIGDOMGUXON-DYVFJYSZSA-N 1 3 305.397 2.215 20 0 DEADHO COc1cccc(NC(=O)CC[N@@H+]2C[C@H]3CCC[C@]3(CN)C2)c1 ZINC001549117506 1073030580 /nfs/dbraw/zinc/03/05/80/1073030580.db2.gz SMFFOTGGNLOCNT-KDOFPFPSSA-N 1 3 317.433 2.085 20 0 DEADHO COc1cccc(NC(=O)CC[N@H+]2C[C@H]3CCC[C@]3(CN)C2)c1 ZINC001549117506 1073030586 /nfs/dbraw/zinc/03/05/86/1073030586.db2.gz SMFFOTGGNLOCNT-KDOFPFPSSA-N 1 3 317.433 2.085 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)NCC[C@H](C)[NH2+]C)c1ccco1 ZINC001645846068 1079023729 /nfs/dbraw/zinc/02/37/29/1079023729.db2.gz KWBKGSLUNOBLDE-MELADBBJSA-N 1 3 310.442 2.006 20 0 DEADHO C[C@@H]1C[C@H](N[C@H]2CCCC[C@@H]2NC(=O)c2ccccc2)CC[NH2+]1 ZINC001549337698 1073129550 /nfs/dbraw/zinc/12/95/50/1073129550.db2.gz IQCULGPCSIQRML-BGTYHANMSA-N 1 3 315.461 2.458 20 0 DEADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2NC(=O)c2ccccc2)CCN1 ZINC001549337698 1073129558 /nfs/dbraw/zinc/12/95/58/1073129558.db2.gz IQCULGPCSIQRML-BGTYHANMSA-N 1 3 315.461 2.458 20 0 DEADHO C[C@@H](NC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1)c1ccc(F)cc1 ZINC001483790125 1079123587 /nfs/dbraw/zinc/12/35/87/1079123587.db2.gz BZLSGSVXAWROJW-UKRRQHHQSA-N 1 3 319.424 2.077 20 0 DEADHO C[C@@H](NC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)c1ccc(F)cc1 ZINC001483790125 1079123598 /nfs/dbraw/zinc/12/35/98/1079123598.db2.gz BZLSGSVXAWROJW-UKRRQHHQSA-N 1 3 319.424 2.077 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3ccc(C)cn3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550424126 1073649730 /nfs/dbraw/zinc/64/97/30/1073649730.db2.gz YGGBOXNHJLJSCK-XWSJACJDSA-N 1 3 317.477 2.349 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3ccc(C)cn3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550424126 1073649733 /nfs/dbraw/zinc/64/97/33/1073649733.db2.gz YGGBOXNHJLJSCK-XWSJACJDSA-N 1 3 317.477 2.349 20 0 DEADHO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(c2cc(N)ncc2Cl)C1 ZINC001550624426 1073752398 /nfs/dbraw/zinc/75/23/98/1073752398.db2.gz RTQMTQKPONZUBG-RYUDHWBXSA-N 1 3 310.829 2.007 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](Nc1cc(N)ncc1Cl)C2 ZINC001550646067 1073768816 /nfs/dbraw/zinc/76/88/16/1073768816.db2.gz GTZBBQHOBQODAR-VDERGJSUSA-N 1 3 324.856 2.209 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](Nc1cc(N)ncc1Cl)C2 ZINC001550646067 1073768817 /nfs/dbraw/zinc/76/88/17/1073768817.db2.gz GTZBBQHOBQODAR-VDERGJSUSA-N 1 3 324.856 2.209 20 0 DEADHO CC(C)=CC[N@@H+](C)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001267603542 1079161739 /nfs/dbraw/zinc/16/17/39/1079161739.db2.gz XTCFREZHJMAXDB-UHFFFAOYSA-N 1 3 304.438 2.089 20 0 DEADHO CC(C)=CC[N@H+](C)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001267603542 1079161742 /nfs/dbraw/zinc/16/17/42/1079161742.db2.gz XTCFREZHJMAXDB-UHFFFAOYSA-N 1 3 304.438 2.089 20 0 DEADHO CCn1cc(O[C@@H]2CCC[C@H]2NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC001550675354 1073795683 /nfs/dbraw/zinc/79/56/83/1073795683.db2.gz WFSCCVCFDOBHQN-SSLSDULLSA-N 1 3 318.465 2.418 20 0 DEADHO CCn1cc(O[C@@H]2CCC[C@H]2NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC001550675354 1073795689 /nfs/dbraw/zinc/79/56/89/1073795689.db2.gz WFSCCVCFDOBHQN-SSLSDULLSA-N 1 3 318.465 2.418 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]C2CCC(C)(N3CCOCC3)CC2)CN1C1CC1 ZINC001551393515 1074202715 /nfs/dbraw/zinc/20/27/15/1074202715.db2.gz ZLEIRDAALAQOBP-XNGIKWSVSA-N 1 3 321.509 2.235 20 0 DEADHO C[C@H]1NCCN(C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)[C@H]1C ZINC001551476822 1074233777 /nfs/dbraw/zinc/23/37/77/1074233777.db2.gz HUACJZBJEDNFMQ-MHAAMQRSSA-N 1 3 322.497 2.175 20 0 DEADHO O[C@H](CN1CCCC2(CC[NH2+]CC2)C1)c1ccc(F)cc1F ZINC001646280561 1074398941 /nfs/dbraw/zinc/39/89/41/1074398941.db2.gz STMVNFWGFYZLIO-MRXNPFEDSA-N 1 3 310.388 2.464 20 0 DEADHO CO[C@H]1COC[C@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC001552061332 1074453318 /nfs/dbraw/zinc/45/33/18/1074453318.db2.gz BDZIRDVIURHWLA-MSOLQXFVSA-N 1 3 304.434 2.176 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC001646617543 1074503651 /nfs/dbraw/zinc/50/36/51/1074503651.db2.gz CUJNQKOWMRZYIA-IRXDYDNUSA-N 1 3 303.450 2.280 20 0 DEADHO CN(C(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1)[C@H]1CCN(C)C1 ZINC001552304087 1074533661 /nfs/dbraw/zinc/53/36/61/1074533661.db2.gz SNIOABYHBDBHNX-MSOLQXFVSA-N 1 3 315.461 2.272 20 0 DEADHO CN(C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)[C@H]1CCN(C)C1 ZINC001552304087 1074533665 /nfs/dbraw/zinc/53/36/65/1074533665.db2.gz SNIOABYHBDBHNX-MSOLQXFVSA-N 1 3 315.461 2.272 20 0 DEADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)[C@H]1CCCC[NH2+]C1 ZINC001552421799 1074573332 /nfs/dbraw/zinc/57/33/32/1074573332.db2.gz CSRRNPYDLYFEQF-ZWKOTPCHSA-N 1 3 315.461 2.157 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)C1([NH2+]C)CCC1)c1ccsc1 ZINC001646736893 1074586404 /nfs/dbraw/zinc/58/64/04/1074586404.db2.gz LTTBJMNIMOCCEK-AWEZNQCLSA-N 1 3 309.479 2.389 20 0 DEADHO C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)c1ccc([C@@H]2CCCC[NH2+]2)n1C ZINC001646795014 1074621926 /nfs/dbraw/zinc/62/19/26/1074621926.db2.gz LMJYTIPNKPQNTI-XQLPTFJDSA-N 1 3 318.465 2.051 20 0 DEADHO [NH3+]CCc1ccc2c(c1)CCCN2C(=O)c1cccc2c1CNC2 ZINC001646828434 1074638660 /nfs/dbraw/zinc/63/86/60/1074638660.db2.gz TVSHCTHXMQLAJZ-UHFFFAOYSA-N 1 3 321.424 2.384 20 0 DEADHO C[NH+](C)CCC(=O)N1CC[C@@](C)(CNC/C(Cl)=C/Cl)C1 ZINC001484111026 1079309125 /nfs/dbraw/zinc/30/91/25/1079309125.db2.gz URJXXOZBZYPFLS-UNJUUPHPSA-N 1 3 322.280 2.085 20 0 DEADHO CCCN1CCCC[C@H]1C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC001647245977 1074855823 /nfs/dbraw/zinc/85/58/23/1074855823.db2.gz KUJCJIOYXVQWAB-WBVHZDCISA-N 1 3 309.498 2.440 20 0 DEADHO C[NH2+][C@@H](C)C(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC001649983290 1079337040 /nfs/dbraw/zinc/33/70/40/1079337040.db2.gz FQSSGTWFRBZEQL-VIFPVBQESA-N 1 3 303.328 2.313 20 0 DEADHO Cc1cnc2ccccc2c1N1C[C@@H]([NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001553807513 1074980850 /nfs/dbraw/zinc/98/08/50/1074980850.db2.gz ULRUHLUGRGBEFC-SJORKVTESA-N 1 3 322.416 2.126 20 0 DEADHO CCCCCN1CC[C@H]1CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001565819420 1075014264 /nfs/dbraw/zinc/01/42/64/1075014264.db2.gz GEUDRYZWTBJXSP-INIZCTEOSA-N 1 3 307.482 2.338 20 0 DEADHO COCCOc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)cc1 ZINC001560622919 1075144111 /nfs/dbraw/zinc/14/41/11/1075144111.db2.gz OSPXCLBMKUSHAF-CGTJXYLNSA-N 1 3 304.434 2.142 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CCCF)C1CC1 ZINC001566722835 1075327280 /nfs/dbraw/zinc/32/72/80/1075327280.db2.gz QBKAHSULXNALKT-JKSUJKDBSA-N 1 3 313.461 2.093 20 0 DEADHO C[C@@H](CCNC(=O)C(C)(C)N1CCCCC1)[NH2+]CCCF ZINC001567214921 1075465650 /nfs/dbraw/zinc/46/56/50/1075465650.db2.gz HSWVPROOBWTUKA-AWEZNQCLSA-N 1 3 301.450 2.095 20 0 DEADHO [NH3+]Cc1cccc(CN2CCCC[C@H]2COC(=O)NC2CC2)c1 ZINC001580342881 1075906940 /nfs/dbraw/zinc/90/69/40/1075906940.db2.gz MJZBCOPULHQCBA-KRWDZBQOSA-N 1 3 317.433 2.388 20 0 DEADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC001580651984 1075969486 /nfs/dbraw/zinc/96/94/86/1075969486.db2.gz PMNBQOVLCDSFGW-UBDQQSCGSA-N 1 3 319.493 2.430 20 0 DEADHO O=C(c1ccc(NC2=NCCC2)cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001580815807 1076001557 /nfs/dbraw/zinc/00/15/57/1076001557.db2.gz OIEQGSYNXWWFEJ-CVEARBPZSA-N 1 3 312.417 2.257 20 0 DEADHO CC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590470197 1076635532 /nfs/dbraw/zinc/63/55/32/1076635532.db2.gz PCELKLXFCCXILL-UGFHNGPFSA-N 1 3 300.410 2.035 20 0 DEADHO CC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590470197 1076635534 /nfs/dbraw/zinc/63/55/34/1076635534.db2.gz PCELKLXFCCXILL-UGFHNGPFSA-N 1 3 300.410 2.035 20 0 DEADHO C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC001609109536 1077763820 /nfs/dbraw/zinc/76/38/20/1077763820.db2.gz DVEXJMOITKSITP-MNOVXSKESA-N 1 3 306.389 2.174 20 0 DEADHO C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC001609109536 1077763825 /nfs/dbraw/zinc/76/38/25/1077763825.db2.gz DVEXJMOITKSITP-MNOVXSKESA-N 1 3 306.389 2.174 20 0 DEADHO CN(CC(=O)N1CC[C@H](CC[NH2+]CC2CC2)C1)CC(C)(C)C ZINC001484538279 1079650484 /nfs/dbraw/zinc/65/04/84/1079650484.db2.gz WPNNXOFBEVWSSZ-INIZCTEOSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1 ZINC001484574357 1079667206 /nfs/dbraw/zinc/66/72/06/1079667206.db2.gz DJUDQTKXUIYSGE-QAQDUYKDSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C ZINC001481304240 1079693196 /nfs/dbraw/zinc/69/31/96/1079693196.db2.gz NFOGNKOSHDWDAY-KRWDZBQOSA-N 1 3 316.449 2.056 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC001650551201 1079711948 /nfs/dbraw/zinc/71/19/48/1079711948.db2.gz NATRPLNFEDBZFG-INIZCTEOSA-N 1 3 322.497 2.131 20 0 DEADHO CC[C@H](F)C[NH2+][C@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001481344214 1079738005 /nfs/dbraw/zinc/73/80/05/1079738005.db2.gz VXKSLTUJITZGTK-ZBFHGGJFSA-N 1 3 313.461 2.047 20 0 DEADHO C[NH+](C)CCC(=O)N1CCC(C)(NC/C(Cl)=C\Cl)CC1 ZINC001484921375 1079862903 /nfs/dbraw/zinc/86/29/03/1079862903.db2.gz SJXPAXKTFICQOE-ZRDIBKRKSA-N 1 3 322.280 2.228 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001484904937 1079853277 /nfs/dbraw/zinc/85/32/77/1079853277.db2.gz LSNSXBYBPJDQPV-WBVHZDCISA-N 1 3 309.498 2.345 20 0 DEADHO CCCCCCN1CC[C@H]1CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001656103151 1080045822 /nfs/dbraw/zinc/04/58/22/1080045822.db2.gz XPMBNFNVQBISDQ-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCCCCN1CC[C@H]1CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001656103151 1080045832 /nfs/dbraw/zinc/04/58/32/1080045832.db2.gz XPMBNFNVQBISDQ-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)NCC=C(Cl)Cl ZINC001485186629 1080050156 /nfs/dbraw/zinc/05/01/56/1080050156.db2.gz PCNKKXFNSBKZBC-WDEREUQCSA-N 1 3 322.280 2.130 20 0 DEADHO CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001279281371 1080173280 /nfs/dbraw/zinc/17/32/80/1080173280.db2.gz HANIFPVUXJKNHM-BRWVUGGUSA-N 1 3 309.498 2.250 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C1C[NH+](Cc2cccc(C)c2)C1 ZINC001485532435 1080288888 /nfs/dbraw/zinc/28/88/88/1080288888.db2.gz FWVYEHUDYPPYRE-MRXNPFEDSA-N 1 3 317.477 2.273 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC000076198558 1080296276 /nfs/dbraw/zinc/29/62/76/1080296276.db2.gz LNBLVPOXWBUWHW-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001485653201 1080344953 /nfs/dbraw/zinc/34/49/53/1080344953.db2.gz JGPXIVAMSNQHTJ-BBWFWOEESA-N 1 3 321.509 2.488 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001485653201 1080344958 /nfs/dbraw/zinc/34/49/58/1080344958.db2.gz JGPXIVAMSNQHTJ-BBWFWOEESA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CN(C)C1CCC1 ZINC001485814635 1080490235 /nfs/dbraw/zinc/49/02/35/1080490235.db2.gz TVICNBJDLTTXFW-KRWDZBQOSA-N 1 3 307.482 2.264 20 0 DEADHO CN1CCN(c2cc(CNCc3ccccc3F)ccn2)CC1 ZINC000078459849 1080616916 /nfs/dbraw/zinc/61/69/16/1080616916.db2.gz XZZGLPBLIJSYGI-UHFFFAOYSA-N 1 3 314.408 2.262 20 0 DEADHO CN1CCN(c2cc(C[NH2+]Cc3ccccc3F)ccn2)CC1 ZINC000078459849 1080616920 /nfs/dbraw/zinc/61/69/20/1080616920.db2.gz XZZGLPBLIJSYGI-UHFFFAOYSA-N 1 3 314.408 2.262 20 0 DEADHO C[NH+]1CCN(c2cc(CNCc3ccccc3F)ccn2)CC1 ZINC000078459849 1080616921 /nfs/dbraw/zinc/61/69/21/1080616921.db2.gz XZZGLPBLIJSYGI-UHFFFAOYSA-N 1 3 314.408 2.262 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]CCC(C)(C)C)C2)C1 ZINC001662686051 1080634362 /nfs/dbraw/zinc/63/43/62/1080634362.db2.gz VLISJHUMZLRLSN-JKSUJKDBSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]CCC(C)(C)C)C2)C1 ZINC001662686050 1080634680 /nfs/dbraw/zinc/63/46/80/1080634680.db2.gz VLISJHUMZLRLSN-HZPDHXFCSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001662713255 1080639838 /nfs/dbraw/zinc/63/98/38/1080639838.db2.gz YRPDLISUVQNPLS-IAGOWNOFSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)=CC[N@@H+](C)[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001662861596 1080667999 /nfs/dbraw/zinc/66/79/99/1080667999.db2.gz BSKLXRXTSYSEAD-IRXDYDNUSA-N 1 3 307.482 2.217 20 0 DEADHO CC(C)=CC[N@H+](C)[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001662861596 1080668002 /nfs/dbraw/zinc/66/80/02/1080668002.db2.gz BSKLXRXTSYSEAD-IRXDYDNUSA-N 1 3 307.482 2.217 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@H](CC[NH2+]CC3CCC3)C2)C1 ZINC001481983734 1080668371 /nfs/dbraw/zinc/66/83/71/1080668371.db2.gz KISNVIMYWGPEJK-FUHWJXTLSA-N 1 3 321.509 2.347 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]CC2CCC2)C1)N(C)C ZINC001481983950 1080669361 /nfs/dbraw/zinc/66/93/61/1080669361.db2.gz LQVZFDDCWNUKFZ-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CC1CC2(CCC2)C1 ZINC001482108832 1080810670 /nfs/dbraw/zinc/81/06/70/1080810670.db2.gz XPQWMLXVBPWMBR-HNNXBMFYSA-N 1 3 321.509 2.393 20 0 DEADHO CC[C@@H](C(=O)NC/C=C/C[NH2+]C[C@H]1CCC(F)(F)C1)N(C)C ZINC001268592892 1080838553 /nfs/dbraw/zinc/83/85/53/1080838553.db2.gz LVENIBSPLDSGKQ-BEVHLOIGSA-N 1 3 317.424 2.024 20 0 DEADHO CC(C)[C@@H](C(=O)NC/C=C\C[NH2+]CC1CCCCC1)N(C)C ZINC001268617787 1080895859 /nfs/dbraw/zinc/89/58/59/1080895859.db2.gz TXZKARNSYSUYEP-JJEJIETFSA-N 1 3 309.498 2.415 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC([C@H](C)[NH2+]CCCF)CC1)N(C)C ZINC001664462079 1080912602 /nfs/dbraw/zinc/91/26/02/1080912602.db2.gz BIFYSYLLVREXEE-GOEBONIOSA-N 1 3 315.477 2.149 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC1=CCCCC1 ZINC001268689073 1080936043 /nfs/dbraw/zinc/93/60/43/1080936043.db2.gz QWJUAHUINJHUCQ-DOTOQJQBSA-N 1 3 307.482 2.454 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@@H]1CC[NH2+]CCCF)N(C)C ZINC001667302321 1081235323 /nfs/dbraw/zinc/23/53/23/1081235323.db2.gz VDXKAWNGHYRAMR-HUUCEWRRSA-N 1 3 301.450 2.047 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCCF)N1CCCC1 ZINC001667743834 1081284016 /nfs/dbraw/zinc/28/40/16/1081284016.db2.gz LZACUSFUGKLSRI-HUUCEWRRSA-N 1 3 313.461 2.095 20 0 DEADHO CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)N1CCCC1)C2 ZINC001095812362 1081408493 /nfs/dbraw/zinc/40/84/93/1081408493.db2.gz KJBCWCBZGWIVNF-OWSLCNJRSA-N 1 3 319.493 2.382 20 0 DEADHO CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)N1CCCC1)C2 ZINC001095812362 1081408496 /nfs/dbraw/zinc/40/84/96/1081408496.db2.gz KJBCWCBZGWIVNF-OWSLCNJRSA-N 1 3 319.493 2.382 20 0 DEADHO O=C(NC/C=C/CNC/C=C\Cl)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001669085761 1081426757 /nfs/dbraw/zinc/42/67/57/1081426757.db2.gz DRQJRFIVBUPEGL-AGODBVITSA-N 1 3 311.857 2.018 20 0 DEADHO O=C(NC/C=C/CNC/C=C\Cl)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001669085761 1081426760 /nfs/dbraw/zinc/42/67/60/1081426760.db2.gz DRQJRFIVBUPEGL-AGODBVITSA-N 1 3 311.857 2.018 20 0 DEADHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/CNCc1ccsc1 ZINC001669208755 1081438434 /nfs/dbraw/zinc/43/84/34/1081438434.db2.gz VQGPXRIKTLDKOG-DWTRPJMMSA-N 1 3 321.490 2.385 20 0 DEADHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/CNCc1ccsc1 ZINC001669208755 1081438439 /nfs/dbraw/zinc/43/84/39/1081438439.db2.gz VQGPXRIKTLDKOG-DWTRPJMMSA-N 1 3 321.490 2.385 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2C[NH2+]CCC2CCCC2)C1 ZINC001270136683 1081458413 /nfs/dbraw/zinc/45/84/13/1081458413.db2.gz PAUSLXLGISFXDT-WMZOPIPTSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC[C@H]1CC1(Cl)Cl)N(C)C ZINC001669592011 1081459284 /nfs/dbraw/zinc/45/92/84/1081459284.db2.gz NWGYTJVLPBOPHQ-SDDRHHMPSA-N 1 3 324.296 2.005 20 0 DEADHO Cc1ccc(F)c(C[NH2+]CCCN(C)C(=O)CN(C)C(C)C)c1 ZINC001670357682 1081512459 /nfs/dbraw/zinc/51/24/59/1081512459.db2.gz NOYVPRIPKDTTQL-UHFFFAOYSA-N 1 3 323.456 2.412 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCCCCF)C1 ZINC001672761498 1081623706 /nfs/dbraw/zinc/62/37/06/1081623706.db2.gz KMLAACQNGXPAST-HZPDHXFCSA-N 1 3 313.461 2.049 20 0 DEADHO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCN1C1CCCCC1)C2 ZINC001270915988 1081836241 /nfs/dbraw/zinc/83/62/41/1081836241.db2.gz LGPCHBWHXHSIOJ-IEBWSBKVSA-N 1 3 319.493 2.338 20 0 DEADHO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCN1C1CCCCC1)C2 ZINC001270915988 1081836248 /nfs/dbraw/zinc/83/62/48/1081836248.db2.gz LGPCHBWHXHSIOJ-IEBWSBKVSA-N 1 3 319.493 2.338 20 0 DEADHO C[C@@H](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCCF ZINC001674233345 1081853813 /nfs/dbraw/zinc/85/38/13/1081853813.db2.gz BHIXCPNVBVGJQG-XJKSGUPXSA-N 1 3 319.440 2.043 20 0 DEADHO CN(CC(=O)NCC[N@H+](C)CCC1=CCCCC1)C1CCC1 ZINC001266282863 1081938673 /nfs/dbraw/zinc/93/86/73/1081938673.db2.gz UYOIHFAFXPBCGK-UHFFFAOYSA-N 1 3 307.482 2.409 20 0 DEADHO CN(CC(=O)NCC[N@@H+](C)CCC1=CCCCC1)C1CCC1 ZINC001266282863 1081938677 /nfs/dbraw/zinc/93/86/77/1081938677.db2.gz UYOIHFAFXPBCGK-UHFFFAOYSA-N 1 3 307.482 2.409 20 0 DEADHO [NH3+]C1CC(CC(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC001648965664 1081960499 /nfs/dbraw/zinc/96/04/99/1081960499.db2.gz QQEAWHJIFOBQNV-VMWRSERWSA-N 1 3 315.461 2.457 20 0 DEADHO CCCC[C@@H](CC)CN1CCC12CN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001271222725 1081994105 /nfs/dbraw/zinc/99/41/05/1081994105.db2.gz FCTPRYHNBRBITJ-IAGOWNOFSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[C@@H](CC)CN1CCC12CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001271222725 1081994109 /nfs/dbraw/zinc/99/41/09/1081994109.db2.gz FCTPRYHNBRBITJ-IAGOWNOFSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]C/C=C\Cl)N(C)C ZINC001266870395 1082418077 /nfs/dbraw/zinc/41/80/77/1082418077.db2.gz JGXVYVPTFWEKFH-TXKQXAOOSA-N 1 3 301.862 2.050 20 0 DEADHO Cc1ccccc1CN(C)CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001482628767 1082420631 /nfs/dbraw/zinc/42/06/31/1082420631.db2.gz YFNVMJRXQBLMRD-INIZCTEOSA-N 1 3 317.477 2.227 20 0 DEADHO Cc1ccccc1CN(C)CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482628767 1082420636 /nfs/dbraw/zinc/42/06/36/1082420636.db2.gz YFNVMJRXQBLMRD-INIZCTEOSA-N 1 3 317.477 2.227 20 0 DEADHO C[NH+](C)CCC(=O)NC/C=C/CN[C@@H]1CCc2c1cccc2F ZINC001483054864 1082670879 /nfs/dbraw/zinc/67/08/79/1082670879.db2.gz SJCDZGQEFKRXPA-REMYHPOOSA-N 1 3 319.424 2.027 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(Cl)s1 ZINC001483198017 1082800092 /nfs/dbraw/zinc/80/00/92/1082800092.db2.gz UPBKAECNCMOHNB-LLVKDONJSA-N 1 3 317.886 2.336 20 0 DEADHO C[C@@H](NCCF)[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001409382511 1082858454 /nfs/dbraw/zinc/85/84/54/1082858454.db2.gz SFQIEMGSAMAWON-OLZOCXBDSA-N 1 3 301.450 2.092 20 0 DEADHO C[C@@H](NCCF)[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001409382511 1082858458 /nfs/dbraw/zinc/85/84/58/1082858458.db2.gz SFQIEMGSAMAWON-OLZOCXBDSA-N 1 3 301.450 2.092 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[N@H+](C)CCc1cccs1 ZINC001409612522 1082983190 /nfs/dbraw/zinc/98/31/90/1082983190.db2.gz CIAPKCJDBGFIMJ-LSDHHAIUSA-N 1 3 323.506 2.069 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[N@@H+](C)CCc1cccs1 ZINC001409612522 1082983192 /nfs/dbraw/zinc/98/31/92/1082983192.db2.gz CIAPKCJDBGFIMJ-LSDHHAIUSA-N 1 3 323.506 2.069 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]Cc1cc(C)ccc1C ZINC001483286432 1083073075 /nfs/dbraw/zinc/07/30/75/1083073075.db2.gz ZSLZXZJQUMTQNJ-INIZCTEOSA-N 1 3 305.466 2.240 20 0 DEADHO CCSc1ncc(CN2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cn1 ZINC001276696284 1083552233 /nfs/dbraw/zinc/55/22/33/1083552233.db2.gz LMNZGRXMBYALJE-GASCZTMLSA-N 1 3 306.479 2.362 20 0 DEADHO CCSc1ncc(CN2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)cn1 ZINC001276696284 1083552240 /nfs/dbraw/zinc/55/22/40/1083552240.db2.gz LMNZGRXMBYALJE-GASCZTMLSA-N 1 3 306.479 2.362 20 0 DEADHO CN1CC[C@]2(C1)CCC[N@H+](Cc1cccc(-n3cncn3)c1)C2 ZINC001276818285 1083628266 /nfs/dbraw/zinc/62/82/66/1083628266.db2.gz VSHITPUXLVEMIC-SFHVURJKSA-N 1 3 311.433 2.185 20 0 DEADHO CN1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(-n3cncn3)c1)C2 ZINC001276818285 1083628272 /nfs/dbraw/zinc/62/82/72/1083628272.db2.gz VSHITPUXLVEMIC-SFHVURJKSA-N 1 3 311.433 2.185 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC001490949563 1083969559 /nfs/dbraw/zinc/96/95/59/1083969559.db2.gz LXNINSNESZKSEU-BQFCYCMXSA-N 1 3 315.461 2.253 20 0 DEADHO CCCC[NH2+][C@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001490958138 1083972629 /nfs/dbraw/zinc/97/26/29/1083972629.db2.gz PDEVZPXCOJOBEO-QAQDUYKDSA-N 1 3 303.450 2.399 20 0 DEADHO CN(C)CC[N@@H+]1C[C@@H]2CCN(Cc3cncc(C4CC4)c3)[C@@H]2C1 ZINC001277626998 1084065733 /nfs/dbraw/zinc/06/57/33/1084065733.db2.gz KNHSYOHGDHDMRR-PKOBYXMFSA-N 1 3 314.477 2.027 20 0 DEADHO CN(C)CC[N@H+]1C[C@@H]2CCN(Cc3cncc(C4CC4)c3)[C@@H]2C1 ZINC001277626998 1084065741 /nfs/dbraw/zinc/06/57/41/1084065741.db2.gz KNHSYOHGDHDMRR-PKOBYXMFSA-N 1 3 314.477 2.027 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@H]1C ZINC001491338084 1084241333 /nfs/dbraw/zinc/24/13/33/1084241333.db2.gz BKOSIRPSNPPGTO-JXBNZGBSSA-N 1 3 319.493 2.262 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@H]1C ZINC001491338084 1084241345 /nfs/dbraw/zinc/24/13/45/1084241345.db2.gz BKOSIRPSNPPGTO-JXBNZGBSSA-N 1 3 319.493 2.262 20 0 DEADHO FC1(F)CCNC[C@@]12CC[N@H+](Cc1cccc3c1NCC3)C2 ZINC001235093690 1084311030 /nfs/dbraw/zinc/31/10/30/1084311030.db2.gz NKQSKGZEQFFMGZ-MRXNPFEDSA-N 1 3 307.388 2.475 20 0 DEADHO FC1(F)CCNC[C@@]12CC[N@@H+](Cc1cccc3c1NCC3)C2 ZINC001235093690 1084311038 /nfs/dbraw/zinc/31/10/38/1084311038.db2.gz NKQSKGZEQFFMGZ-MRXNPFEDSA-N 1 3 307.388 2.475 20 0 DEADHO OCCCCC[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235362170 1084407163 /nfs/dbraw/zinc/40/71/63/1084407163.db2.gz LVNIATLXQYDETM-RBUKOAKNSA-N 1 3 302.462 2.402 20 0 DEADHO OCCCCC[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235362170 1084407169 /nfs/dbraw/zinc/40/71/69/1084407169.db2.gz LVNIATLXQYDETM-RBUKOAKNSA-N 1 3 302.462 2.402 20 0 DEADHO Brc1cccc([C@H]2CN(C[C@H]3CCC[NH2+]3)CCN2)c1 ZINC001235791698 1084531320 /nfs/dbraw/zinc/53/13/20/1084531320.db2.gz BYGRAVJPSCZUOZ-HUUCEWRRSA-N 1 3 324.266 2.147 20 0 DEADHO Brc1cccc([C@@H]2CN(C[C@H]3CC[NH2+]C3)CCN2)c1 ZINC001235795746 1084531415 /nfs/dbraw/zinc/53/14/15/1084531415.db2.gz PPVOCWLTVLWNOB-WFASDCNBSA-N 1 3 324.266 2.005 20 0 DEADHO C[NH+]1CCN(c2ccc(-c3cc(-n4ccnc4)ccn3)cn2)CC1 ZINC001235974966 1084579490 /nfs/dbraw/zinc/57/94/90/1084579490.db2.gz RPJSHDTVHQLDIV-UHFFFAOYSA-N 1 3 320.400 2.081 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCC2)C12CCC2 ZINC001078794365 1084898081 /nfs/dbraw/zinc/89/80/81/1084898081.db2.gz GCLNRJCAVQYZJO-HZPDHXFCSA-N 1 3 316.449 2.078 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001485884732 1084962096 /nfs/dbraw/zinc/96/20/96/1084962096.db2.gz GCQQIQJNZOJJCW-OCCSQVGLSA-N 1 3 319.440 2.054 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(F)cc2)C[C@@H]1C ZINC001486127926 1085094147 /nfs/dbraw/zinc/09/41/47/1085094147.db2.gz HUYDUZLOJWTORN-WMLDXEAASA-N 1 3 321.440 2.247 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961442307 1085734904 /nfs/dbraw/zinc/73/49/04/1085734904.db2.gz RLQWFKGYHLJOJF-SFHVURJKSA-N 1 3 321.509 2.443 20 0 DEADHO CCC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961442307 1085734910 /nfs/dbraw/zinc/73/49/10/1085734910.db2.gz RLQWFKGYHLJOJF-SFHVURJKSA-N 1 3 321.509 2.443 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@H](C)c1cccc(C)c1 ZINC001128545093 1086211254 /nfs/dbraw/zinc/21/12/54/1086211254.db2.gz UECRRUAWYGPDNM-WBVHZDCISA-N 1 3 323.456 2.442 20 0 DEADHO CN(C(=O)[C@@H]1CCCN1C)C1CCC([NH2+]CCC2CC2)CC1 ZINC000963155910 1086317410 /nfs/dbraw/zinc/31/74/10/1086317410.db2.gz DBSRYCQAHVKADB-JCYILVPMSA-N 1 3 307.482 2.240 20 0 DEADHO CCN1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C(C)(C)C1 ZINC001410026584 1087577432 /nfs/dbraw/zinc/57/74/32/1087577432.db2.gz GWGGSQFOFSICND-HNNXBMFYSA-N 1 3 309.498 2.486 20 0 DEADHO CCN1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C(C)(C)C1 ZINC001410026584 1087577433 /nfs/dbraw/zinc/57/74/33/1087577433.db2.gz GWGGSQFOFSICND-HNNXBMFYSA-N 1 3 309.498 2.486 20 0 DEADHO CC[N@H+](CC1CC1)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000957691003 1088550824 /nfs/dbraw/zinc/55/08/24/1088550824.db2.gz XPHHZRSXDGZEIN-QGZVFWFLSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@@H+](CC1CC1)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000957691003 1088550835 /nfs/dbraw/zinc/55/08/35/1088550835.db2.gz XPHHZRSXDGZEIN-QGZVFWFLSA-N 1 3 307.482 2.051 20 0 DEADHO CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2CC(C)C)C1 ZINC001080021755 1088566471 /nfs/dbraw/zinc/56/64/71/1088566471.db2.gz PYHADXVBEOCHGW-BRWVUGGUSA-N 1 3 309.498 2.343 20 0 DEADHO CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2CC(C)C)C1 ZINC001080021755 1088566482 /nfs/dbraw/zinc/56/64/82/1088566482.db2.gz PYHADXVBEOCHGW-BRWVUGGUSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC001080037772 1088592577 /nfs/dbraw/zinc/59/25/77/1088592577.db2.gz UKDXFEGGRLWEPB-NVXWUHKLSA-N 1 3 319.493 2.242 20 0 DEADHO C[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC001080037772 1088592590 /nfs/dbraw/zinc/59/25/90/1088592590.db2.gz UKDXFEGGRLWEPB-NVXWUHKLSA-N 1 3 319.493 2.242 20 0 DEADHO CC[N@H+](CC1CC1)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC000957776433 1088611319 /nfs/dbraw/zinc/61/13/19/1088611319.db2.gz MDPBTRCRCBKLSX-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO CC[N@@H+](CC1CC1)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC000957776433 1088611329 /nfs/dbraw/zinc/61/13/29/1088611329.db2.gz MDPBTRCRCBKLSX-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO Cc1ncsc1CN1CCC2(CC[N@@H+](CCN(C)C)C2)CC1 ZINC001276323365 1088985404 /nfs/dbraw/zinc/98/54/04/1088985404.db2.gz ZLZRKRJWWJRYTR-UHFFFAOYSA-N 1 3 322.522 2.301 20 0 DEADHO Cc1ncsc1CN1CCC2(CC[N@H+](CCN(C)C)C2)CC1 ZINC001276323365 1088985411 /nfs/dbraw/zinc/98/54/11/1088985411.db2.gz ZLZRKRJWWJRYTR-UHFFFAOYSA-N 1 3 322.522 2.301 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1ccsc1)N(C)C ZINC001276340633 1089100758 /nfs/dbraw/zinc/10/07/58/1089100758.db2.gz WZSFTGSFNDUMDA-HNNXBMFYSA-N 1 3 311.495 2.272 20 0 DEADHO CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)[C@@H]1CCC[NH2+]1 ZINC000719958895 1089419306 /nfs/dbraw/zinc/41/93/06/1089419306.db2.gz MIHNJGYIFKNPEG-MSOLQXFVSA-N 1 3 315.461 2.252 20 0 DEADHO CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC000959891627 1089832333 /nfs/dbraw/zinc/83/23/33/1089832333.db2.gz GDJCKGCAKKGWGP-ZSHCYNCHSA-N 1 3 307.482 2.097 20 0 DEADHO CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC000959891627 1089832354 /nfs/dbraw/zinc/83/23/54/1089832354.db2.gz GDJCKGCAKKGWGP-ZSHCYNCHSA-N 1 3 307.482 2.097 20 0 DEADHO CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000960138035 1089979205 /nfs/dbraw/zinc/97/92/05/1089979205.db2.gz SILBTAPXXNRZLX-YOEHRIQHSA-N 1 3 313.461 2.190 20 0 DEADHO CCC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001082743334 1090067343 /nfs/dbraw/zinc/06/73/43/1090067343.db2.gz UMFARNGBDAZYNK-CKEIUWERSA-N 1 3 313.461 2.045 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]Cc1ccsc1 ZINC001082741294 1090067733 /nfs/dbraw/zinc/06/77/33/1090067733.db2.gz WELJARQRTAVJSH-IIAWOOMASA-N 1 3 321.490 2.169 20 0 DEADHO CCN1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346719 1090272892 /nfs/dbraw/zinc/27/28/92/1090272892.db2.gz YADWPFJEVDVSCS-SOLBZPMBSA-N 1 3 319.493 2.194 20 0 DEADHO CCN1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346719 1090272899 /nfs/dbraw/zinc/27/28/99/1090272899.db2.gz YADWPFJEVDVSCS-SOLBZPMBSA-N 1 3 319.493 2.194 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC(C)C)C[C@H]21 ZINC001084388295 1090286277 /nfs/dbraw/zinc/28/62/77/1090286277.db2.gz QNKSANWZDWRVMN-BRWVUGGUSA-N 1 3 307.482 2.050 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC(C)C)C[C@H]21 ZINC001084388295 1090286281 /nfs/dbraw/zinc/28/62/81/1090286281.db2.gz QNKSANWZDWRVMN-BRWVUGGUSA-N 1 3 307.482 2.050 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(CC)C[C@H]21 ZINC001084768122 1090433388 /nfs/dbraw/zinc/43/33/88/1090433388.db2.gz WEQVQWNJIRPJGU-BRWVUGGUSA-N 1 3 307.482 2.194 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(CC)C[C@H]21 ZINC001084768122 1090433396 /nfs/dbraw/zinc/43/33/96/1090433396.db2.gz WEQVQWNJIRPJGU-BRWVUGGUSA-N 1 3 307.482 2.194 20 0 DEADHO CCCN(C)CC(=O)N1CCC([N@H+](C)CC2CCCC2)CC1 ZINC001410251140 1090472754 /nfs/dbraw/zinc/47/27/54/1090472754.db2.gz KYQSCJUABNBXQT-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCC([N@@H+](C)CC2CCCC2)CC1 ZINC001410251140 1090472757 /nfs/dbraw/zinc/47/27/57/1090472757.db2.gz KYQSCJUABNBXQT-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001084850087 1090476829 /nfs/dbraw/zinc/47/68/29/1090476829.db2.gz JJTHSUVDFMRJDR-QZTJIDSGSA-N 1 3 315.461 2.305 20 0 DEADHO CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001084850087 1090476833 /nfs/dbraw/zinc/47/68/33/1090476833.db2.gz JJTHSUVDFMRJDR-QZTJIDSGSA-N 1 3 315.461 2.305 20 0 DEADHO C[C@H]1C[C@@H](C(=O)NC/C=C/CNCc2ccsc2)CC[N@@H+]1C ZINC001274310401 1091182399 /nfs/dbraw/zinc/18/23/99/1091182399.db2.gz QHHFELNEDBINCQ-BVWQNDCPSA-N 1 3 321.490 2.240 20 0 DEADHO C[C@H]1C[C@@H](C(=O)NC/C=C/CNCc2ccsc2)CC[N@H+]1C ZINC001274310401 1091182402 /nfs/dbraw/zinc/18/24/02/1091182402.db2.gz QHHFELNEDBINCQ-BVWQNDCPSA-N 1 3 321.490 2.240 20 0 DEADHO CCN1CC2(C1)CN(Cc1ccc(OCCC[NH+](C)C)cc1)C2 ZINC001275084971 1091548113 /nfs/dbraw/zinc/54/81/13/1091548113.db2.gz JQNINHJOCZDJCB-UHFFFAOYSA-N 1 3 317.477 2.155 20 0 DEADHO O=c1cccc(CN2CC[C@H]3C[N@@H+](CC4CC4)C[C@H]3CC2)[nH]1 ZINC001275137340 1091581076 /nfs/dbraw/zinc/58/10/76/1091581076.db2.gz YTJKLKNEIIABLE-IYBDPMFKSA-N 1 3 301.434 2.341 20 0 DEADHO O=c1cccc(CN2CC[C@H]3C[N@H+](CC4CC4)C[C@H]3CC2)[nH]1 ZINC001275137340 1091581085 /nfs/dbraw/zinc/58/10/85/1091581085.db2.gz YTJKLKNEIIABLE-IYBDPMFKSA-N 1 3 301.434 2.341 20 0 DEADHO Cc1ncoc1CN1CCC2(CCC[N@@H+](CCN(C)C)C2)CC1 ZINC001276212091 1091705731 /nfs/dbraw/zinc/70/57/31/1091705731.db2.gz NJEIOPOLVLBDRA-UHFFFAOYSA-N 1 3 320.481 2.223 20 0 DEADHO Cc1ncoc1CN1CCC2(CCC[N@H+](CCN(C)C)C2)CC1 ZINC001276212091 1091705740 /nfs/dbraw/zinc/70/57/40/1091705740.db2.gz NJEIOPOLVLBDRA-UHFFFAOYSA-N 1 3 320.481 2.223 20 0 DEADHO O=C(CC[NH+]1CCCCC1)NC1(CNCCF)CCCCC1 ZINC001276243927 1091734773 /nfs/dbraw/zinc/73/47/73/1091734773.db2.gz IPXDBFOOOVTFAP-UHFFFAOYSA-N 1 3 313.461 2.241 20 0 DEADHO CN1CC[C@H]2[C@@H]1CCN2C(=O)c1ccccc1C[NH+]1CCCC1 ZINC001275536646 1091838501 /nfs/dbraw/zinc/83/85/01/1091838501.db2.gz COIKZEUVBLKGLS-ROUUACIJSA-N 1 3 313.445 2.201 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)[C@H]2CCC[N@H+](CCCF)CC2)C1 ZINC000948778671 1091930793 /nfs/dbraw/zinc/93/07/93/1091930793.db2.gz AFIGTWDSVMLGCA-CVEARBPZSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)[C@H]2CCC[N@@H+](CCCF)CC2)C1 ZINC000948778671 1091930797 /nfs/dbraw/zinc/93/07/97/1091930797.db2.gz AFIGTWDSVMLGCA-CVEARBPZSA-N 1 3 313.461 2.001 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CCC(C)CC2)CC1 ZINC000948887033 1091981477 /nfs/dbraw/zinc/98/14/77/1091981477.db2.gz UXZQYOPXNBFSEU-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](N(C)C(=O)CN2CCC(C)CC2)CC1 ZINC000948887033 1091981479 /nfs/dbraw/zinc/98/14/79/1091981479.db2.gz UXZQYOPXNBFSEU-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@]3(CCN(C)C3)C2)cc1 ZINC001275786612 1092120409 /nfs/dbraw/zinc/12/04/09/1092120409.db2.gz VGMOJCBRWPPQCQ-LJQANCHMSA-N 1 3 316.445 2.320 20 0 DEADHO COC(=O)Cc1ccc(C[N@H+]2CCC[C@]3(CCN(C)C3)C2)cc1 ZINC001275786612 1092120413 /nfs/dbraw/zinc/12/04/13/1092120413.db2.gz VGMOJCBRWPPQCQ-LJQANCHMSA-N 1 3 316.445 2.320 20 0 DEADHO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2Cc1ccc(O)cc1Cl ZINC001275934679 1092338625 /nfs/dbraw/zinc/33/86/25/1092338625.db2.gz NRRSXBAPJKHYRE-IRXDYDNUSA-N 1 3 323.868 2.256 20 0 DEADHO Cc1ccc(C)c(CN2CC[C@H]2CN(C)C(=O)CC[NH+](C)C)c1 ZINC001488652028 1092661015 /nfs/dbraw/zinc/66/10/15/1092661015.db2.gz COWTXMCCTOKFEZ-SFHVURJKSA-N 1 3 317.477 2.288 20 0 DEADHO c1c[nH]c(CN2CC3(C2)CCN(CC[NH+]2CCCC2)CC3)c1 ZINC001278059297 1138511487 /nfs/dbraw/zinc/51/14/87/1138511487.db2.gz BCXDXEBRSLMNIG-UHFFFAOYSA-N 1 3 302.466 2.008 20 0 DEADHO Fc1cccc2c1CC[C@]21CCC[N@H+](CC[C@H]2CNCCO2)C1 ZINC001237189014 1138521775 /nfs/dbraw/zinc/52/17/75/1138521775.db2.gz SPAFXFOZDHNEFV-KXBFYZLASA-N 1 3 318.436 2.484 20 0 DEADHO Fc1cccc2c1CC[C@]21CCC[N@@H+](CC[C@H]2CNCCO2)C1 ZINC001237189014 1138521795 /nfs/dbraw/zinc/52/17/95/1138521795.db2.gz SPAFXFOZDHNEFV-KXBFYZLASA-N 1 3 318.436 2.484 20 0 DEADHO CCOC(=O)[C@H]1CN(Cc2cc(C)cc(F)c2)CCC12C[NH2+]C2 ZINC001237430781 1138622843 /nfs/dbraw/zinc/62/28/43/1138622843.db2.gz NALBOLKNILWHGQ-MRXNPFEDSA-N 1 3 320.408 2.109 20 0 DEADHO O=C(NC[C@H]1CCC2(CCNCC2)[NH2+]1)Nc1ccc(Cl)cc1 ZINC001239217819 1138990387 /nfs/dbraw/zinc/99/03/87/1138990387.db2.gz UOVSRZCPLWOOIL-CQSZACIVSA-N 1 3 322.840 2.336 20 0 DEADHO Cc1ccc(NC(=S)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)cc1 ZINC001239361676 1139029223 /nfs/dbraw/zinc/02/92/23/1139029223.db2.gz CGLLJQPTUVTQGK-HNNXBMFYSA-N 1 3 318.490 2.156 20 0 DEADHO CC(C)CC[NH2+][C@@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001491580068 1140173559 /nfs/dbraw/zinc/17/35/59/1140173559.db2.gz QBDPLRAYEQDULQ-WMLDXEAASA-N 1 3 315.477 2.339 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC2CCC2)CN1C(=O)CN(C)CC(C)(C)C ZINC001369407060 1148943310 /nfs/dbraw/zinc/94/33/10/1148943310.db2.gz RRRZOWGFHJWNMO-GDBMZVCRSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](F)CC[NH2+]C[C@H](C)N(C)C(=O)CN(C)CC(C)(C)C ZINC001319534005 1140611410 /nfs/dbraw/zinc/61/14/10/1140611410.db2.gz NETFCMYLSBJICB-KGLIPLIRSA-N 1 3 303.466 2.149 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@@H]1CC[NH2+]CCC1CC1)N(C)C ZINC001319779447 1140712562 /nfs/dbraw/zinc/71/25/62/1140712562.db2.gz UBHDPXGDBKIXCE-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1C[NH2+]C[C@@H]1CNC[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001245976163 1140840365 /nfs/dbraw/zinc/84/03/65/1140840365.db2.gz BNBIQWVNDYOARZ-INMHGKMJSA-N 1 3 320.477 2.169 20 0 DEADHO CC(C)c1ccc(OC[C@@H](O)CNC[C@H]2C[NH2+]C[C@@H](C)C2)cc1 ZINC001245994171 1140843739 /nfs/dbraw/zinc/84/37/39/1140843739.db2.gz QIDGMTMDZDOAAA-JZXOWHBKSA-N 1 3 320.477 2.385 20 0 DEADHO c1ccc(CC2CCN(CCN[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC001246093639 1140860267 /nfs/dbraw/zinc/86/02/67/1140860267.db2.gz PSSXUCSNENEUEV-LJQANCHMSA-N 1 3 301.478 2.283 20 0 DEADHO O[C@]1(CN[C@@H]2CCc3cccc(Cl)c3C2)CCCC[NH2+]C1 ZINC001246096434 1140860981 /nfs/dbraw/zinc/86/09/81/1140860981.db2.gz LLRJSLVVOUYZMX-RHSMWYFYSA-N 1 3 308.853 2.292 20 0 DEADHO C[C@H]1CC[C@H](CNC2CCN(Cc3ccncc3)CC2)[NH2+]C1 ZINC001246117027 1140862950 /nfs/dbraw/zinc/86/29/50/1140862950.db2.gz YXESDCLGZZXWSG-MAUKXSAKSA-N 1 3 302.466 2.024 20 0 DEADHO C[C@@H]1CC[C@@H](CNC2CCN(Cc3ccncc3)CC2)[NH2+]C1 ZINC001246117028 1140863304 /nfs/dbraw/zinc/86/33/04/1140863304.db2.gz YXESDCLGZZXWSG-QAPCUYQASA-N 1 3 302.466 2.024 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@@H]1CN[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001246121736 1140863393 /nfs/dbraw/zinc/86/33/93/1140863393.db2.gz SELYWJQCVMSXIR-NXHRZFHOSA-N 1 3 315.461 2.126 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)C3CCCCC3)CC2)CCN1 ZINC001246352475 1140886991 /nfs/dbraw/zinc/88/69/91/1140886991.db2.gz RSNOWPOKOCPPBR-YOEHRIQHSA-N 1 3 307.482 2.288 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(CC(=O)c3ccccc3)CC2)CCN1 ZINC001246359970 1140887852 /nfs/dbraw/zinc/88/78/52/1140887852.db2.gz QBAFBTHFJXKTQB-QAPCUYQASA-N 1 3 315.461 2.064 20 0 DEADHO NC(=O)[C@@H](N)CCCC[NH2+]C1CCC(c2ccccc2)CC1 ZINC001246413124 1140895441 /nfs/dbraw/zinc/89/54/41/1140895441.db2.gz GGDYOZGANXFVSE-JCYILVPMSA-N 1 3 303.450 2.285 20 0 DEADHO O=C(N[C@H]1CC[C@H]([NH2+]C2CCNCC2)CC1)c1ccccc1 ZINC001246446719 1140900297 /nfs/dbraw/zinc/90/02/97/1140900297.db2.gz MCTBHQIVOYDJOP-WKILWMFISA-N 1 3 301.434 2.069 20 0 DEADHO COc1ccc([C@@H]2C[C@@H]([N@@H+]3C[C@H](C)[C@H](CN)C3)CCO2)cc1 ZINC001246538695 1140945348 /nfs/dbraw/zinc/94/53/48/1140945348.db2.gz FGHPJSDXUCULKO-DNMXQMFDSA-N 1 3 304.434 2.442 20 0 DEADHO COc1ccc([C@@H]2C[C@@H]([N@H+]3C[C@H](C)[C@H](CN)C3)CCO2)cc1 ZINC001246538695 1140945362 /nfs/dbraw/zinc/94/53/62/1140945362.db2.gz FGHPJSDXUCULKO-DNMXQMFDSA-N 1 3 304.434 2.442 20 0 DEADHO COc1ccc(Cl)c2c1C[C@H](N1C[C@H]3C[NH2+]C[C@H]3C1)CC2 ZINC001246628066 1141012029 /nfs/dbraw/zinc/01/20/29/1141012029.db2.gz WSPGSYQSYODWSD-FRRDWIJNSA-N 1 3 306.837 2.357 20 0 DEADHO CCC[C@H](CCc1ccccc1)N1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246642710 1141020263 /nfs/dbraw/zinc/02/02/63/1141020263.db2.gz NDJJKXZXRWAQBT-RTBURBONSA-N 1 3 301.478 2.425 20 0 DEADHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC1CCCCCC1 ZINC001320995925 1141022200 /nfs/dbraw/zinc/02/22/00/1141022200.db2.gz BAIQSLRAPOUBJQ-DKRLNXSXSA-N 1 3 307.482 2.313 20 0 DEADHO Cc1cc(C)cc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCCN2C)c1 ZINC001320999215 1141025218 /nfs/dbraw/zinc/02/52/18/1141025218.db2.gz SPBWHYCPZHLHIU-WRFKIARRSA-N 1 3 315.461 2.160 20 0 DEADHO COC(=O)[C@@H]1CCN([C@H]2CC[NH2+][C@H](C)C2)[C@H]1c1ccccc1 ZINC001246679414 1141034036 /nfs/dbraw/zinc/03/40/36/1141034036.db2.gz WREXALDGGHVLQH-XBVQOTNRSA-N 1 3 302.418 2.363 20 0 DEADHO O=C1N(CC2CCCC2)CCC12CCN(C1CC[NH2+]CC1)CC2 ZINC001246705924 1141039963 /nfs/dbraw/zinc/03/99/63/1141039963.db2.gz ZIMCTHGEAIPMSE-UHFFFAOYSA-N 1 3 319.493 2.243 20 0 DEADHO COCC[C@H]1CO[C@@]2(C1)CCCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246717452 1141043975 /nfs/dbraw/zinc/04/39/75/1141043975.db2.gz IREMQPNDJLDCHF-FNNOIMFVSA-N 1 3 308.466 2.177 20 0 DEADHO F[C@@H]1CNCC[C@H]1N(Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246846515 1141085128 /nfs/dbraw/zinc/08/51/28/1141085128.db2.gz OIRCJTGAXCQOOC-ICBNADEASA-N 1 3 317.452 2.472 20 0 DEADHO CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc1cccc(C)c1)N(C)C ZINC001321248841 1141098255 /nfs/dbraw/zinc/09/82/55/1141098255.db2.gz DPSFRIXAUMSSAN-LXXRFIIISA-N 1 3 303.450 2.097 20 0 DEADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@H]3[NH2+]CCC[C@@H]3C1)C2 ZINC001247013082 1141242575 /nfs/dbraw/zinc/24/25/75/1141242575.db2.gz FLCKIAABTNBIES-UHDSXZAQSA-N 1 3 321.465 2.212 20 0 DEADHO CCCCCN1CC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001323322055 1141841445 /nfs/dbraw/zinc/84/14/45/1141841445.db2.gz APQZLHDHQSRDEO-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO COc1ccc2nc(CN3CCC(C[NH+](C)C)CC3)[nH]c2c1 ZINC001249413943 1141884942 /nfs/dbraw/zinc/88/49/42/1141884942.db2.gz LNMRSOADQAQZMV-UHFFFAOYSA-N 1 3 302.422 2.345 20 0 DEADHO CN1CC2(C1)CC[NH+](C[C@H](O)COc1ccc(Cl)cc1)CC2 ZINC001250671954 1142262460 /nfs/dbraw/zinc/26/24/60/1142262460.db2.gz QSDWXYUSUGUJKV-HNNXBMFYSA-N 1 3 324.852 2.107 20 0 DEADHO CN(CC(=O)N[C@H]1CC[C@H](C[NH2+]CCCF)C1)CC(C)(C)C ZINC001278592383 1142278468 /nfs/dbraw/zinc/27/84/68/1142278468.db2.gz BMWWMHWIWGHVDV-GJZGRUSLSA-N 1 3 315.477 2.198 20 0 DEADHO O[C@H](C[NH2+]C1CCN(CC2CCC2)CC1)COc1ccccc1 ZINC001251250373 1142408257 /nfs/dbraw/zinc/40/82/57/1142408257.db2.gz BMEXHTAVTXCAKC-GOSISDBHSA-N 1 3 318.461 2.280 20 0 DEADHO CCN(CC)C[C@@H](O)C[N@H+](C)CCCc1cccc(OC)c1 ZINC001253188463 1142851270 /nfs/dbraw/zinc/85/12/70/1142851270.db2.gz YZYBLAICTWENNC-KRWDZBQOSA-N 1 3 308.466 2.262 20 0 DEADHO CCN(CC)C[C@@H](O)C[N@@H+](C)CCCc1cccc(OC)c1 ZINC001253188463 1142851271 /nfs/dbraw/zinc/85/12/71/1142851271.db2.gz YZYBLAICTWENNC-KRWDZBQOSA-N 1 3 308.466 2.262 20 0 DEADHO CCN(CC)C[C@@H](O)C[NH+]1CCC2(COc3ccccc32)CC1 ZINC001253193289 1142851967 /nfs/dbraw/zinc/85/19/67/1142851967.db2.gz GGZUNIWBJIAGCN-MRXNPFEDSA-N 1 3 318.461 2.115 20 0 DEADHO CC[NH+](CC)C[C@H](O)CNCCc1c[nH]c2c1cccc2C ZINC001253202953 1142853562 /nfs/dbraw/zinc/85/35/62/1142853562.db2.gz CZUIEXQAIGVLNI-MRXNPFEDSA-N 1 3 303.450 2.311 20 0 DEADHO CC[NH+](CC)C[C@@H](O)CNCCc1c[nH]c2ccc(F)cc12 ZINC001253204642 1142853776 /nfs/dbraw/zinc/85/37/76/1142853776.db2.gz SQFJUZBWHJWUNW-HNNXBMFYSA-N 1 3 307.413 2.142 20 0 DEADHO CC(C)Oc1ccccc1OC[C@@H](O)C[N@H+](C)CCCN(C)C ZINC001253987847 1143020492 /nfs/dbraw/zinc/02/04/92/1143020492.db2.gz TZNAFLBJMZOIHX-INIZCTEOSA-N 1 3 324.465 2.097 20 0 DEADHO CC(C)Oc1ccccc1OC[C@@H](O)C[N@@H+](C)CCCN(C)C ZINC001253987847 1143020499 /nfs/dbraw/zinc/02/04/99/1143020499.db2.gz TZNAFLBJMZOIHX-INIZCTEOSA-N 1 3 324.465 2.097 20 0 DEADHO CO[C@H]1CCC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254028986 1143028069 /nfs/dbraw/zinc/02/80/69/1143028069.db2.gz ALQHYODDMWLNMB-SFHVURJKSA-N 1 3 318.461 2.124 20 0 DEADHO CO[C@H]1CCC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254028986 1143028078 /nfs/dbraw/zinc/02/80/78/1143028078.db2.gz ALQHYODDMWLNMB-SFHVURJKSA-N 1 3 318.461 2.124 20 0 DEADHO CC1(C)C[C@@H](C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)O1 ZINC001254049800 1143030995 /nfs/dbraw/zinc/03/09/95/1143030995.db2.gz MYXDSTDSLVWDER-KRWDZBQOSA-N 1 3 318.461 2.171 20 0 DEADHO CC(=O)N1CCC([N@@H+](Cc2ccccc2)C[C@@H](C)CN)CC1 ZINC001254419146 1143111270 /nfs/dbraw/zinc/11/12/70/1143111270.db2.gz MBHLXPQZWLUGBN-HNNXBMFYSA-N 1 3 303.450 2.094 20 0 DEADHO CC(=O)N1CCC([N@H+](Cc2ccccc2)C[C@@H](C)CN)CC1 ZINC001254419146 1143111283 /nfs/dbraw/zinc/11/12/83/1143111283.db2.gz MBHLXPQZWLUGBN-HNNXBMFYSA-N 1 3 303.450 2.094 20 0 DEADHO CC(=O)N1CCC(N(Cc2ccccc2)C[C@@H](C)C[NH3+])CC1 ZINC001254419146 1143111289 /nfs/dbraw/zinc/11/12/89/1143111289.db2.gz MBHLXPQZWLUGBN-HNNXBMFYSA-N 1 3 303.450 2.094 20 0 DEADHO C[C@@H]([NH2+][C@H]1CCCN(C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC001254499537 1143140387 /nfs/dbraw/zinc/14/03/87/1143140387.db2.gz IPVOIUCHWBTXSS-HIFRSBDPSA-N 1 3 310.463 2.225 20 0 DEADHO C[N@@H+]1CCC[C@H](N2CCCN(c3ccc(F)cn3)CC2)CC1 ZINC001254515688 1143171841 /nfs/dbraw/zinc/17/18/41/1143171841.db2.gz AXWWHLXHLQIUPT-INIZCTEOSA-N 1 3 306.429 2.217 20 0 DEADHO C[N@H+]1CCC[C@H](N2CCCN(c3ccc(F)cn3)CC2)CC1 ZINC001254515688 1143171863 /nfs/dbraw/zinc/17/18/63/1143171863.db2.gz AXWWHLXHLQIUPT-INIZCTEOSA-N 1 3 306.429 2.217 20 0 DEADHO C[N@@H+]1CCC[C@@H](N2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)CC1 ZINC001254521744 1143194686 /nfs/dbraw/zinc/19/46/86/1143194686.db2.gz WUCKELBLOMVPMW-BZUAXINKSA-N 1 3 323.481 2.412 20 0 DEADHO C[N@H+]1CCC[C@@H](N2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)CC1 ZINC001254521744 1143194704 /nfs/dbraw/zinc/19/47/04/1143194704.db2.gz WUCKELBLOMVPMW-BZUAXINKSA-N 1 3 323.481 2.412 20 0 DEADHO Cc1cccnc1N1CCCN([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254523610 1143202902 /nfs/dbraw/zinc/20/29/02/1143202902.db2.gz QCMOYCIAGLQDLO-QGZVFWFLSA-N 1 3 302.466 2.386 20 0 DEADHO Cc1cccnc1N1CCCN([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254523610 1143202927 /nfs/dbraw/zinc/20/29/27/1143202927.db2.gz QCMOYCIAGLQDLO-QGZVFWFLSA-N 1 3 302.466 2.386 20 0 DEADHO Cc1cccc(N2CCCN([C@@H]3CCC[N@@H+](C)CC3)CC2)n1 ZINC001254529585 1143220321 /nfs/dbraw/zinc/22/03/21/1143220321.db2.gz OGAXSEXJLLLTSH-QGZVFWFLSA-N 1 3 302.466 2.386 20 0 DEADHO Cc1cccc(N2CCCN([C@@H]3CCC[N@H+](C)CC3)CC2)n1 ZINC001254529585 1143220342 /nfs/dbraw/zinc/22/03/42/1143220342.db2.gz OGAXSEXJLLLTSH-QGZVFWFLSA-N 1 3 302.466 2.386 20 0 DEADHO FC(F)(F)c1nn([C@H]2CC3CC[NH+](CC3)C2)c2c1CNCC2 ZINC001254863283 1143344531 /nfs/dbraw/zinc/34/45/31/1143344531.db2.gz BLYKBFZZVGXPRC-NSHDSACASA-N 1 3 314.355 2.204 20 0 DEADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](N3CCC(C)([NH3+])CC3)C[C@@H]2C1 ZINC001254895945 1143355237 /nfs/dbraw/zinc/35/52/37/1143355237.db2.gz NVUDDLXDGKVYHE-QDMKHBRRSA-N 1 3 323.481 2.445 20 0 DEADHO CCCN1C[C@@H]2C[N@H+]([C@@H]3CCC[C@H](C(=O)OCC)C3)C[C@@H]2C1 ZINC001255377141 1143584709 /nfs/dbraw/zinc/58/47/09/1143584709.db2.gz GHHAGVCDOYADES-MWDXBVQZSA-N 1 3 308.466 2.382 20 0 DEADHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3CCC[C@H](C(=O)OCC)C3)C[C@@H]2C1 ZINC001255377141 1143584721 /nfs/dbraw/zinc/58/47/21/1143584721.db2.gz GHHAGVCDOYADES-MWDXBVQZSA-N 1 3 308.466 2.382 20 0 DEADHO O=C(C[NH2+][C@@H]1CCCN(Cc2ccccc2)CC1)N1CCCC1 ZINC001255382477 1143588210 /nfs/dbraw/zinc/58/82/10/1143588210.db2.gz CKXQAPOYUPBATQ-GOSISDBHSA-N 1 3 315.461 2.253 20 0 DEADHO O=C(C[NH2+][C@H]1CCCN(Cc2ccccc2)CC1)NC1CCC1 ZINC001255392179 1143595676 /nfs/dbraw/zinc/59/56/76/1143595676.db2.gz YWNHEVLONQLDHL-KRWDZBQOSA-N 1 3 315.461 2.299 20 0 DEADHO CC1CC[NH+](CCCNC(=O)c2cc3c(s2)CNCC3)CC1 ZINC001341541194 1143624678 /nfs/dbraw/zinc/62/46/78/1143624678.db2.gz YJXCSTHOAULWPP-UHFFFAOYSA-N 1 3 321.490 2.246 20 0 DEADHO CC[NH+](CC)CC[C@@H](C)N[C@H]1CCN(Cc2cccnc2)C1 ZINC001255952550 1143816218 /nfs/dbraw/zinc/81/62/18/1143816218.db2.gz FFJOPBYAIKGHDI-AEFFLSMTSA-N 1 3 304.482 2.366 20 0 DEADHO CC[NH+](CC)CC[C@H](C)N[C@H]1CCN(Cc2ccncc2)C1 ZINC001255954363 1143816754 /nfs/dbraw/zinc/81/67/54/1143816754.db2.gz VJXPLZGSJABLFW-WMZOPIPTSA-N 1 3 304.482 2.366 20 0 DEADHO C[NH+]1CCC(N2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)CC1 ZINC001256203014 1143834923 /nfs/dbraw/zinc/83/49/23/1143834923.db2.gz PAEOEMNMPBPAOC-UKRRQHHQSA-N 1 3 309.454 2.022 20 0 DEADHO CC(C)(C)N1CCC([NH+]2CCC(C(C)(C)C(N)=O)CC2)CC1 ZINC001256573561 1143854487 /nfs/dbraw/zinc/85/44/87/1143854487.db2.gz KDFRTCRPUDHRJM-UHFFFAOYSA-N 1 3 309.498 2.473 20 0 DEADHO CC(C)(C)N1CCC([N@H+]2CCc3ccc(=O)[nH]c3CC2)CC1 ZINC001256575523 1143854844 /nfs/dbraw/zinc/85/48/44/1143854844.db2.gz PJYGNLSIWIYXRI-UHFFFAOYSA-N 1 3 303.450 2.451 20 0 DEADHO CC(C)(C)N1CCC([N@@H+]2CCc3ccc(=O)[nH]c3CC2)CC1 ZINC001256575523 1143854845 /nfs/dbraw/zinc/85/48/45/1143854845.db2.gz PJYGNLSIWIYXRI-UHFFFAOYSA-N 1 3 303.450 2.451 20 0 DEADHO Fc1ccc(OCC[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256677708 1143861393 /nfs/dbraw/zinc/86/13/93/1143861393.db2.gz HKQHCZWVCGVEDA-UHFFFAOYSA-N 1 3 322.424 2.438 20 0 DEADHO CCCc1cc(C[NH3+])nn1C1CCC(N2CCOCC2)CC1 ZINC001256684184 1143862009 /nfs/dbraw/zinc/86/20/09/1143862009.db2.gz OBKRKRSRUQKWFX-UHFFFAOYSA-N 1 3 306.454 2.110 20 0 DEADHO CC(C)[N@H+](C1CCC(N2CCOCC2)CC1)C1CCN(C)CC1 ZINC001256700344 1143863481 /nfs/dbraw/zinc/86/34/81/1143863481.db2.gz VLJMACXHKUSPLI-UHFFFAOYSA-N 1 3 323.525 2.434 20 0 DEADHO CC(C)[N@@H+](C1CCC(N2CCOCC2)CC1)C1CCN(C)CC1 ZINC001256700344 1143863483 /nfs/dbraw/zinc/86/34/83/1143863483.db2.gz VLJMACXHKUSPLI-UHFFFAOYSA-N 1 3 323.525 2.434 20 0 DEADHO CC(C)[NH+]1CCC(N2CCC3(C[C@H]3C(=O)N(C)C)CC2)CC1 ZINC001257217671 1143894148 /nfs/dbraw/zinc/89/41/48/1143894148.db2.gz VSTJQZHWIRRFNA-INIZCTEOSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C[NH2+]C/C=C\Cl)C(C)(C)C)N(C)C ZINC001279002405 1143894958 /nfs/dbraw/zinc/89/49/58/1143894958.db2.gz NTXUCFADWNOTMP-GFUJYOBASA-N 1 3 303.878 2.200 20 0 DEADHO C[C@@H](CN)C[NH2+]C1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001257754323 1143952552 /nfs/dbraw/zinc/95/25/52/1143952552.db2.gz OJGJEZJRYYLEIS-ZDUSSCGKSA-N 1 3 311.470 2.351 20 0 DEADHO CC(C)CN1CCC([NH2+]C[C@]2(O)CCOc3ccccc32)CC1 ZINC001258006002 1143964143 /nfs/dbraw/zinc/96/41/43/1143964143.db2.gz BQZSNMSWJXFSEM-LJQANCHMSA-N 1 3 318.461 2.367 20 0 DEADHO CC(C)CN1CCC([N@@H+]2CCC[C@@]3(CCCC(=O)N3)C2)CC1 ZINC001258015538 1143966221 /nfs/dbraw/zinc/96/62/21/1143966221.db2.gz VKMBPXLBRRUBJP-SFHVURJKSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)CN1CCC([N@H+]2CCC[C@@]3(CCCC(=O)N3)C2)CC1 ZINC001258015538 1143966222 /nfs/dbraw/zinc/96/62/22/1143966222.db2.gz VKMBPXLBRRUBJP-SFHVURJKSA-N 1 3 307.482 2.242 20 0 DEADHO CCC[NH+]1CCC(N[C@@H](CO)Cc2cccc(OC)c2)CC1 ZINC001258768562 1144039106 /nfs/dbraw/zinc/03/91/06/1144039106.db2.gz RDFVAMVQYPZSNZ-QGZVFWFLSA-N 1 3 306.450 2.063 20 0 DEADHO CCC[NH+]1CCC(N2CC[C@@]3(C2)CCCCN3C(C)=O)CC1 ZINC001258773951 1144040453 /nfs/dbraw/zinc/04/04/53/1144040453.db2.gz FKPYDGJRNBPXFJ-GOSISDBHSA-N 1 3 307.482 2.338 20 0 DEADHO C[N@@H+]1CCCC[C@H](CNCCC(=O)Nc2ccccc2F)C1 ZINC001262571442 1144320492 /nfs/dbraw/zinc/32/04/92/1144320492.db2.gz VCOXGVBTUJPGBG-CQSZACIVSA-N 1 3 307.413 2.476 20 0 DEADHO C[N@H+]1CCCC[C@H](CNCCC(=O)Nc2ccccc2F)C1 ZINC001262571442 1144320494 /nfs/dbraw/zinc/32/04/94/1144320494.db2.gz VCOXGVBTUJPGBG-CQSZACIVSA-N 1 3 307.413 2.476 20 0 DEADHO CN1CCCC[C@H](C[NH2+]CCC(=O)Nc2ccccc2F)C1 ZINC001262571442 1144320496 /nfs/dbraw/zinc/32/04/96/1144320496.db2.gz VCOXGVBTUJPGBG-CQSZACIVSA-N 1 3 307.413 2.476 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[N@H+](C)CCC1CC1 ZINC001265933828 1144762088 /nfs/dbraw/zinc/76/20/88/1144762088.db2.gz UCUUTUBPMDOGPZ-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[N@@H+](C)CCC1CC1 ZINC001265933828 1144762093 /nfs/dbraw/zinc/76/20/93/1144762093.db2.gz UCUUTUBPMDOGPZ-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[C@@H]2CCC[N@@H+]2CC2CCC2)C1 ZINC001266234739 1144817384 /nfs/dbraw/zinc/81/73/84/1144817384.db2.gz JXHAWYBXAHYMHP-SJLPKXTDSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[C@@H]2CCC[N@H+]2CC2CCC2)C1 ZINC001266234739 1144817385 /nfs/dbraw/zinc/81/73/85/1144817385.db2.gz JXHAWYBXAHYMHP-SJLPKXTDSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)N(C)CC(=O)NCC1=CC[N@H+](Cc2ccccc2)CC1 ZINC001279694986 1144827351 /nfs/dbraw/zinc/82/73/51/1144827351.db2.gz HGHVKLWXHGBFDZ-UHFFFAOYSA-N 1 3 315.461 2.275 20 0 DEADHO CC(C)N(C)CC(=O)NCC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001279694986 1144827352 /nfs/dbraw/zinc/82/73/52/1144827352.db2.gz HGHVKLWXHGBFDZ-UHFFFAOYSA-N 1 3 315.461 2.275 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]CC2CCCC2)C1)N(C)C ZINC001280263846 1144834687 /nfs/dbraw/zinc/83/46/87/1144834687.db2.gz NQORLJNSKFDKHH-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)[C@H]1CCCN(C)C1 ZINC001364202593 1145075507 /nfs/dbraw/zinc/07/55/07/1145075507.db2.gz MBPXWUSIJITFOP-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(C)[C@H]1CCCN(C)C1 ZINC001364202593 1145075512 /nfs/dbraw/zinc/07/55/12/1145075512.db2.gz MBPXWUSIJITFOP-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO CC(C)[N@H+](C)C[C@H](O)CN1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001364486157 1145291446 /nfs/dbraw/zinc/29/14/46/1145291446.db2.gz MZONCSYKTOZDSZ-HCXYKTFWSA-N 1 3 302.462 2.423 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](O)CN1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001364486157 1145291453 /nfs/dbraw/zinc/29/14/53/1145291453.db2.gz MZONCSYKTOZDSZ-HCXYKTFWSA-N 1 3 302.462 2.423 20 0 DEADHO OC1(C[NH+]2CCCCC2)CCN(C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC001364520770 1145314245 /nfs/dbraw/zinc/31/42/45/1145314245.db2.gz FMABWYMUUKWLCA-FGTMMUONSA-N 1 3 322.493 2.257 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC2=CCCCC2)C[C@H]1C ZINC001284025393 1145756660 /nfs/dbraw/zinc/75/66/60/1145756660.db2.gz JQVDFPSEVZHVIG-NVXWUHKLSA-N 1 3 307.482 2.408 20 0 DEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)C2(N(C)C)CCCC2)C1 ZINC001291557481 1146845060 /nfs/dbraw/zinc/84/50/60/1146845060.db2.gz GXNMSFYDMLLZPT-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)C2(N(C)C)CCCC2)C1 ZINC001291557481 1146845062 /nfs/dbraw/zinc/84/50/62/1146845062.db2.gz GXNMSFYDMLLZPT-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCC(C)C)C1 ZINC001491856394 1146922331 /nfs/dbraw/zinc/92/23/31/1146922331.db2.gz QMGUMXWDMBQKSS-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCc3ccccc32)C1)N(C)C ZINC001366161796 1147085194 /nfs/dbraw/zinc/08/51/94/1147085194.db2.gz ZSRJICSEKNRGAJ-MVJTYMMSSA-N 1 3 315.461 2.251 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C ZINC001366287666 1147192957 /nfs/dbraw/zinc/19/29/57/1147192957.db2.gz RGGURGDCOIEOCI-AEFFLSMTSA-N 1 3 317.477 2.464 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001366292643 1147195760 /nfs/dbraw/zinc/19/57/60/1147195760.db2.gz HFZQRVGDWZPQQC-SWLSCSKDSA-N 1 3 311.857 2.275 20 0 DEADHO C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)NC/C=C/Cl ZINC001366343953 1147225451 /nfs/dbraw/zinc/22/54/51/1147225451.db2.gz JYPBWUTYJIAKBY-FAFAAHBOSA-N 1 3 309.841 2.209 20 0 DEADHO Cc1ccc(F)c(CN[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001366345903 1147225677 /nfs/dbraw/zinc/22/56/77/1147225677.db2.gz KNRKINIZXMNDHB-WMLDXEAASA-N 1 3 323.456 2.315 20 0 DEADHO Cc1cc(C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)cs1 ZINC001366349903 1147228469 /nfs/dbraw/zinc/22/84/69/1147228469.db2.gz XSABNAXKFCWPCJ-IUODEOHRSA-N 1 3 311.495 2.237 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1cc2ccccc2o1)N(C)C ZINC001366351095 1147229031 /nfs/dbraw/zinc/22/90/31/1147229031.db2.gz HFHHRLZNKBQTSV-BBRMVZONSA-N 1 3 317.433 2.367 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)NCc1nccs1 ZINC001366458434 1147293062 /nfs/dbraw/zinc/29/30/62/1147293062.db2.gz CQYUVALIDJDQHC-KGLIPLIRSA-N 1 3 324.494 2.002 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)NCc1nccs1 ZINC001366458434 1147293071 /nfs/dbraw/zinc/29/30/71/1147293071.db2.gz CQYUVALIDJDQHC-KGLIPLIRSA-N 1 3 324.494 2.002 20 0 DEADHO CN(CCNC(=O)CC[NH+](C)C)[C@H]1CCc2c1cccc2Cl ZINC001366556257 1147349127 /nfs/dbraw/zinc/34/91/27/1147349127.db2.gz BUJMQTBUMZXSDC-INIZCTEOSA-N 1 3 323.868 2.327 20 0 DEADHO CN(C)C1(C(=O)NCCC[N@H+](C)CC2=CCCCC2)CCC1 ZINC001316830207 1147610265 /nfs/dbraw/zinc/61/02/65/1147610265.db2.gz NGYDJWIJCFWMPB-UHFFFAOYSA-N 1 3 307.482 2.409 20 0 DEADHO CN(C)C1(C(=O)NCCC[N@@H+](C)CC2=CCCCC2)CCC1 ZINC001316830207 1147610269 /nfs/dbraw/zinc/61/02/69/1147610269.db2.gz NGYDJWIJCFWMPB-UHFFFAOYSA-N 1 3 307.482 2.409 20 0 DEADHO CC[C@@H](C(=O)NCCC[N@H+](C)CC1CC2(CCC2)C1)N(C)C ZINC001316851291 1147614860 /nfs/dbraw/zinc/61/48/60/1147614860.db2.gz UIZZZKLFNBHFNX-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)NCCC[N@@H+](C)CC1CC2(CCC2)C1)N(C)C ZINC001316851291 1147614862 /nfs/dbraw/zinc/61/48/62/1147614862.db2.gz UIZZZKLFNBHFNX-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCC(C)(C)C)C1 ZINC001366997455 1147630275 /nfs/dbraw/zinc/63/02/75/1147630275.db2.gz FJVIZKJKGLLIAG-JYJNAYRXSA-N 1 3 307.482 2.050 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCC(C)(C)C)C1 ZINC001366997455 1147630277 /nfs/dbraw/zinc/63/02/77/1147630277.db2.gz FJVIZKJKGLLIAG-JYJNAYRXSA-N 1 3 307.482 2.050 20 0 DEADHO CN(CC(=O)N[C@](C)(C[NH2+]CC1CC1)C1CC1)CC(C)(C)C ZINC001367176614 1147660649 /nfs/dbraw/zinc/66/06/49/1147660649.db2.gz LVZSRRIEILIMHI-GOSISDBHSA-N 1 3 309.498 2.249 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC1CC[NH+](CC[C@@H](C)F)CC1 ZINC001367213210 1147665060 /nfs/dbraw/zinc/66/50/60/1147665060.db2.gz IHCVQYBACSQZBC-CYBMUJFWSA-N 1 3 324.444 2.227 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC1CC[NH+](CC[C@H](C)F)CC1 ZINC001367213214 1147665091 /nfs/dbraw/zinc/66/50/91/1147665091.db2.gz IHCVQYBACSQZBC-ZDUSSCGKSA-N 1 3 324.444 2.227 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001367255531 1147670227 /nfs/dbraw/zinc/67/02/27/1147670227.db2.gz AJSDWQQMMOBIJA-CXAGYDPISA-N 1 3 323.456 2.316 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1 ZINC001367264814 1147671230 /nfs/dbraw/zinc/67/12/30/1147671230.db2.gz WEXLOCWEWXNMML-AEFFLSMTSA-N 1 3 317.477 2.403 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]CC1CC(C)(C)C1)N(C)C ZINC001367269165 1147672030 /nfs/dbraw/zinc/67/20/30/1147672030.db2.gz KVJBJMBEBHPVJB-GDBMZVCRSA-N 1 3 311.514 2.351 20 0 DEADHO CCCC[NH2+][C@@H](C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001480792066 1147676518 /nfs/dbraw/zinc/67/65/18/1147676518.db2.gz IIMJURNNHLGJCO-YOEHRIQHSA-N 1 3 315.477 2.483 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCCc2ccsc2)C1 ZINC001317308666 1147688903 /nfs/dbraw/zinc/68/89/03/1147688903.db2.gz QEMMIQIEALJCFM-INIZCTEOSA-N 1 3 323.506 2.213 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1)C(C)C)N(C)C ZINC001367473436 1147699453 /nfs/dbraw/zinc/69/94/53/1147699453.db2.gz MUAASLDDBWZFSB-IAGOWNOFSA-N 1 3 305.466 2.257 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[N@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001367545654 1147713763 /nfs/dbraw/zinc/71/37/63/1147713763.db2.gz GVHBQXHGHLUTHA-ZACQAIPSSA-N 1 3 309.498 2.155 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[N@@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001367545654 1147713765 /nfs/dbraw/zinc/71/37/65/1147713765.db2.gz GVHBQXHGHLUTHA-ZACQAIPSSA-N 1 3 309.498 2.155 20 0 DEADHO Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)N(C)C)c(C)c1 ZINC001317652412 1147739094 /nfs/dbraw/zinc/73/90/94/1147739094.db2.gz LSOLDEFNHLBHDZ-GOSISDBHSA-N 1 3 319.493 2.438 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001367766250 1147739916 /nfs/dbraw/zinc/73/99/16/1147739916.db2.gz OOXYFBKUVBMFKU-YOEHRIQHSA-N 1 3 323.456 2.315 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[N@@H+](C)C[C@@H](C)CC(C)C ZINC001367855276 1147761559 /nfs/dbraw/zinc/76/15/59/1147761559.db2.gz VSNHITUJIHBAFK-KBPBESRZSA-N 1 3 308.470 2.379 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[N@H+](C)C[C@@H](C)CC(C)C ZINC001367855276 1147761561 /nfs/dbraw/zinc/76/15/61/1147761561.db2.gz VSNHITUJIHBAFK-KBPBESRZSA-N 1 3 308.470 2.379 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(F)cc1)C1CC1)N(C)C ZINC001367902923 1147768056 /nfs/dbraw/zinc/76/80/56/1147768056.db2.gz QJGMMTGFYHGZOB-IRXDYDNUSA-N 1 3 321.440 2.150 20 0 DEADHO CC(C)=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001324785389 1147844367 /nfs/dbraw/zinc/84/43/67/1147844367.db2.gz XPHAZWAEZVSIAD-SJLPKXTDSA-N 1 3 309.498 2.367 20 0 DEADHO OCCCOCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001325887616 1148014844 /nfs/dbraw/zinc/01/48/44/1148014844.db2.gz GZYBISVGYIEZJA-REPLKXPHSA-N 1 3 318.461 2.171 20 0 DEADHO OCCCOCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001325887616 1148014846 /nfs/dbraw/zinc/01/48/46/1148014846.db2.gz GZYBISVGYIEZJA-REPLKXPHSA-N 1 3 318.461 2.171 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CCC)CC1 ZINC001368202847 1148322628 /nfs/dbraw/zinc/32/26/28/1148322628.db2.gz WZQXPRJNYICUQQ-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CC[C@@H](C)[NH2+][C@H](CNC(=O)N1CCNC(C)(C)C1)c1ccco1 ZINC000418166778 529375317 /nfs/dbraw/zinc/37/53/17/529375317.db2.gz LTKFNWILPYIYQT-ZIAGYGMSSA-N 1 3 322.453 2.102 20 0 DEADHO CN1CCN(CCCSCC[N@H+](C)Cc2ccccc2)CC1 ZINC000278650688 214302463 /nfs/dbraw/zinc/30/24/63/214302463.db2.gz MJLGMNVAFSFKRZ-UHFFFAOYSA-N 1 3 321.534 2.489 20 0 DEADHO CN1CCN(CCCSCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000278650688 214302465 /nfs/dbraw/zinc/30/24/65/214302465.db2.gz MJLGMNVAFSFKRZ-UHFFFAOYSA-N 1 3 321.534 2.489 20 0 DEADHO CC[C@@H](CS(=O)(=O)c1ccccc1)N[C@H](C)CCCC[NH3+] ZINC000423006945 529525676 /nfs/dbraw/zinc/52/56/76/529525676.db2.gz WWBUBTMRWKXDMI-CABCVRRESA-N 1 3 312.479 2.346 20 0 DEADHO CC[C@@H]([NH3+])CNC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000418229639 529561301 /nfs/dbraw/zinc/56/13/01/529561301.db2.gz HQXLPVMYKIKTAR-HIFRSBDPSA-N 1 3 324.494 2.048 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000417828765 529613019 /nfs/dbraw/zinc/61/30/19/529613019.db2.gz HQPLKLSPLGBTDF-UWWQBHOKSA-N 1 3 317.477 2.391 20 0 DEADHO CC[C@H](N[C@@H]1CCOC[C@H]1[C@H](C)[NH3+])c1ccc2c(c1)OCCO2 ZINC000422939729 529659582 /nfs/dbraw/zinc/65/95/82/529659582.db2.gz IJGPSMIPBFLHFA-QCEMKRCNSA-N 1 3 320.433 2.251 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000068262441 539344720 /nfs/dbraw/zinc/34/47/20/539344720.db2.gz IFERDDVSMQTLSZ-UHFFFAOYSA-N 1 3 324.428 2.106 20 0 DEADHO Cc1nn2c(CN3CC4(C[C@H]3C)CC[NH2+]CC4)c(C)nc2s1 ZINC000424382763 282303771 /nfs/dbraw/zinc/30/37/71/282303771.db2.gz SMISDCNNTMJQNR-LLVKDONJSA-N 1 3 319.478 2.372 20 0 DEADHO CN(CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)CC(F)(F)F ZINC000422713935 529917792 /nfs/dbraw/zinc/91/77/92/529917792.db2.gz QEZHPRFCMNMARO-HZSPNIEDSA-N 1 3 307.404 2.381 20 0 DEADHO C[NH2+]CCCNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000417358822 529968369 /nfs/dbraw/zinc/96/83/69/529968369.db2.gz UPKUZSHGQKKLGR-KRWDZBQOSA-N 1 3 318.465 2.041 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)Cc3ccc(F)cc3)CC[C@@H]21 ZINC000292691493 530059126 /nfs/dbraw/zinc/05/91/26/530059126.db2.gz CODFMEBDWWTFSO-NXHRZFHOSA-N 1 3 306.425 2.145 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C[C@H](O)Cc3ccc(F)cc3)CC[C@@H]21 ZINC000292691493 530059127 /nfs/dbraw/zinc/05/91/27/530059127.db2.gz CODFMEBDWWTFSO-NXHRZFHOSA-N 1 3 306.425 2.145 20 0 DEADHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)Cc3ccc(F)cc3)CC[C@@H]21 ZINC000292691493 530059128 /nfs/dbraw/zinc/05/91/28/530059128.db2.gz CODFMEBDWWTFSO-NXHRZFHOSA-N 1 3 306.425 2.145 20 0 DEADHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)Cc3ccc(F)cc3)CC[C@@H]21 ZINC000292691493 530059129 /nfs/dbraw/zinc/05/91/29/530059129.db2.gz CODFMEBDWWTFSO-NXHRZFHOSA-N 1 3 306.425 2.145 20 0 DEADHO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000093482185 539432286 /nfs/dbraw/zinc/43/22/86/539432286.db2.gz UZKQPXBHKJWWMZ-WBVHZDCISA-N 1 3 306.450 2.362 20 0 DEADHO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000093482185 539432290 /nfs/dbraw/zinc/43/22/90/539432290.db2.gz UZKQPXBHKJWWMZ-WBVHZDCISA-N 1 3 306.450 2.362 20 0 DEADHO C[C@]1(NCc2ccc(OCC[NH+]3CCCC3)cc2)CCOC1 ZINC000120191552 539450437 /nfs/dbraw/zinc/45/04/37/539450437.db2.gz SJORETJFAUXDNL-SFHVURJKSA-N 1 3 304.434 2.430 20 0 DEADHO O=C(c1cccc(CN2CCCC2)c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000291933498 222723328 /nfs/dbraw/zinc/72/33/28/222723328.db2.gz CFFMYDFPTHUFOP-MSOLQXFVSA-N 1 3 313.445 2.106 20 0 DEADHO CN(C)CCN1CCC([NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000150978858 539524291 /nfs/dbraw/zinc/52/42/91/539524291.db2.gz FRTFKFBJIOLCHZ-SFHVURJKSA-N 1 3 305.441 2.429 20 0 DEADHO CCN1CC[C@H](NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000616307530 362823363 /nfs/dbraw/zinc/82/33/63/362823363.db2.gz QXKZRXKTGQPMQF-ZWKOTPCHSA-N 1 3 315.461 2.076 20 0 DEADHO CCC(C)(CC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000158869558 539579265 /nfs/dbraw/zinc/57/92/65/539579265.db2.gz FZXRHTLAFYCNQS-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)C1=CCN(C)CC1 ZINC000357809522 299147025 /nfs/dbraw/zinc/14/70/25/299147025.db2.gz BETZYNOZMQOSBU-HNNXBMFYSA-N 1 3 322.497 2.201 20 0 DEADHO CC(C)(CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])N1CCc2ccccc2C1 ZINC000164920976 539606648 /nfs/dbraw/zinc/60/66/48/539606648.db2.gz NDZWIHMACVHMMR-SJORKVTESA-N 1 3 315.461 2.067 20 0 DEADHO C[NH+](C)CCCOc1ccc(NC(=O)[C@H]2CCCCN2)cc1 ZINC000168435022 539611782 /nfs/dbraw/zinc/61/17/82/539611782.db2.gz CVFUGWVNIKDWHW-MRXNPFEDSA-N 1 3 305.422 2.098 20 0 DEADHO Cn1cc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c(C(C)(C)C)n1 ZINC000414792792 282634211 /nfs/dbraw/zinc/63/42/11/282634211.db2.gz SKDRFRZFWLGYOD-CVEARBPZSA-N 1 3 320.481 2.046 20 0 DEADHO COc1cccc([C@H](C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)N(C)C)c1 ZINC000133620885 186000268 /nfs/dbraw/zinc/00/02/68/186000268.db2.gz DEWWANONOOYZOW-LESCRADOSA-N 1 3 305.466 2.370 20 0 DEADHO COc1cccc([C@H](CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)N(C)C)c1 ZINC000133620885 186000269 /nfs/dbraw/zinc/00/02/69/186000269.db2.gz DEWWANONOOYZOW-LESCRADOSA-N 1 3 305.466 2.370 20 0 DEADHO COc1cccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)N(C)C)c1 ZINC000133620885 186000271 /nfs/dbraw/zinc/00/02/71/186000271.db2.gz DEWWANONOOYZOW-LESCRADOSA-N 1 3 305.466 2.370 20 0 DEADHO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)N1CCCCCC1 ZINC000616995285 362986137 /nfs/dbraw/zinc/98/61/37/362986137.db2.gz ONJXEBBADAFKIU-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)N1CCCCCC1 ZINC000616995285 362986141 /nfs/dbraw/zinc/98/61/41/362986141.db2.gz ONJXEBBADAFKIU-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+](Cc1ccc(CN(C)C)cc1)Cc1ccn(C)c(=O)c1 ZINC000626062202 366031655 /nfs/dbraw/zinc/03/16/55/366031655.db2.gz LHYLRXNKSUXZGZ-UHFFFAOYSA-N 1 3 313.445 2.469 20 0 DEADHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)Cc1ccn(C)c(=O)c1 ZINC000626062202 366031657 /nfs/dbraw/zinc/03/16/57/366031657.db2.gz LHYLRXNKSUXZGZ-UHFFFAOYSA-N 1 3 313.445 2.469 20 0 DEADHO C[NH+](C)CCCC(=O)N1CCC[C@@H]([C@H]2CCCN2CCF)C1 ZINC001120422294 781929003 /nfs/dbraw/zinc/92/90/03/781929003.db2.gz LFVDHIJNVXYWSQ-HZPDHXFCSA-N 1 3 313.461 2.001 20 0 DEADHO COc1cccc(NC(=O)CCN(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000072637773 191207983 /nfs/dbraw/zinc/20/79/83/191207983.db2.gz WZGWLKZIHICAHQ-OAHLLOKOSA-N 1 3 319.449 2.297 20 0 DEADHO COc1cccc(NC(=O)CCN(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000072637773 191207986 /nfs/dbraw/zinc/20/79/86/191207986.db2.gz WZGWLKZIHICAHQ-OAHLLOKOSA-N 1 3 319.449 2.297 20 0 DEADHO C[C@@H]1CCN[C@@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000309744366 539878065 /nfs/dbraw/zinc/87/80/65/539878065.db2.gz SYVIUSVBVPAVIC-KBAYOESNSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@@H]1CCN[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000309744366 539878069 /nfs/dbraw/zinc/87/80/69/539878069.db2.gz SYVIUSVBVPAVIC-KBAYOESNSA-N 1 3 315.461 2.013 20 0 DEADHO COC1(C[NH2+]CC2CCN(c3ccncc3)CC2)CCOCC1 ZINC000277122372 213307829 /nfs/dbraw/zinc/30/78/29/213307829.db2.gz ZBVRMZVFGBIGKF-UHFFFAOYSA-N 1 3 319.449 2.083 20 0 DEADHO C[C@H](CCNC(=O)C1CCN(C)CC1)[N@H+](C)Cc1ccccc1 ZINC000174415091 198332616 /nfs/dbraw/zinc/33/26/16/198332616.db2.gz LRRRHUJAUADTBS-MRXNPFEDSA-N 1 3 317.477 2.355 20 0 DEADHO C[C@H](CCNC(=O)C1CCN(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000174415091 198332618 /nfs/dbraw/zinc/33/26/18/198332618.db2.gz LRRRHUJAUADTBS-MRXNPFEDSA-N 1 3 317.477 2.355 20 0 DEADHO C[C@@H](CC[NH+](C)C)NC[C@@H](O)COCc1ccc(Cl)cc1 ZINC000049557529 354361153 /nfs/dbraw/zinc/36/11/53/354361153.db2.gz IFHUPYSEXUDYIW-XJKSGUPXSA-N 1 3 314.857 2.147 20 0 DEADHO CCC[C@]1(C)CCCN(CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000076145994 355130065 /nfs/dbraw/zinc/13/00/65/355130065.db2.gz COKQLCHMNLYEMZ-GOSISDBHSA-N 1 3 309.498 2.489 20 0 DEADHO CCOc1ccc(C[NH2+]CC2(O)CCN(C)CC2)cc1OCC ZINC000077450002 355205571 /nfs/dbraw/zinc/20/55/71/355205571.db2.gz FCJJFWZGZMGCRJ-UHFFFAOYSA-N 1 3 322.449 2.030 20 0 DEADHO CC(C)(CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCCCC1 ZINC000079219063 355301197 /nfs/dbraw/zinc/30/11/97/355301197.db2.gz NARKOVRHXYUSFU-HZPDHXFCSA-N 1 3 322.497 2.177 20 0 DEADHO CC(C)(CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCCCC1 ZINC000079219063 355301199 /nfs/dbraw/zinc/30/11/99/355301199.db2.gz NARKOVRHXYUSFU-HZPDHXFCSA-N 1 3 322.497 2.177 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000415572763 540160887 /nfs/dbraw/zinc/16/08/87/540160887.db2.gz NMXDYBFQQLTDAU-GJZGRUSLSA-N 1 3 304.438 2.182 20 0 DEADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C23CCCN2CCC3)C1 ZINC000370533626 283126039 /nfs/dbraw/zinc/12/60/39/283126039.db2.gz OHQITRYNNLBVJD-HNNXBMFYSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C23CCCN2CCC3)C1 ZINC000370533626 283126042 /nfs/dbraw/zinc/12/60/42/283126042.db2.gz OHQITRYNNLBVJD-HNNXBMFYSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C12CCCN1CCC2 ZINC000370526244 283126331 /nfs/dbraw/zinc/12/63/31/283126331.db2.gz CJVSYZAMSKVKSJ-OAGGEKHMSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@@H](N)C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000130533456 355843368 /nfs/dbraw/zinc/84/33/68/355843368.db2.gz LOIPFWGBXDDDAI-OAHLLOKOSA-N 1 3 305.422 2.145 20 0 DEADHO CCS(=O)(=O)C[C@H](C)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000182456738 356127285 /nfs/dbraw/zinc/12/72/85/356127285.db2.gz PCAHKNQJIRTGJH-XHSDSOJGSA-N 1 3 318.527 2.157 20 0 DEADHO CCS(=O)(=O)C[C@H](C)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000182456738 356127288 /nfs/dbraw/zinc/12/72/88/356127288.db2.gz PCAHKNQJIRTGJH-XHSDSOJGSA-N 1 3 318.527 2.157 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000182682046 356139446 /nfs/dbraw/zinc/13/94/46/356139446.db2.gz GBFCALHVLFXQSJ-MRXNPFEDSA-N 1 3 312.502 2.233 20 0 DEADHO C[C@H](CCNC(=O)N(C)C[C@H]1CCCN(C)C1)[NH+]1CCCCC1 ZINC000182689686 356139581 /nfs/dbraw/zinc/13/95/81/356139581.db2.gz JJWWHWSEOSHTAD-SJORKVTESA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000184836921 356198665 /nfs/dbraw/zinc/19/86/65/356198665.db2.gz DZIOWZPZFNSSHO-IAGOWNOFSA-N 1 3 324.513 2.425 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2ccnn2C)[C@@H](C)C1 ZINC000248744337 356324613 /nfs/dbraw/zinc/32/46/13/356324613.db2.gz ARXKTTNJPRMFDG-JYJNAYRXSA-N 1 3 308.470 2.208 20 0 DEADHO C[C@H]1C[C@@H]1N1CCN(C(=O)CC[N@@H+]2CCCC[C@@H]2C)C[C@@H](C)C1 ZINC000346202317 291095146 /nfs/dbraw/zinc/09/51/46/291095146.db2.gz UBTDYRHDEBXDOO-XSLAGTTESA-N 1 3 321.509 2.440 20 0 DEADHO C[C@H]1C[C@@H]1N1CCN(C(=O)CC[N@H+]2CCCC[C@@H]2C)C[C@@H](C)C1 ZINC000346202317 291095147 /nfs/dbraw/zinc/09/51/47/291095147.db2.gz UBTDYRHDEBXDOO-XSLAGTTESA-N 1 3 321.509 2.440 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CNCc2ccccc21 ZINC000321001776 356448010 /nfs/dbraw/zinc/44/80/10/356448010.db2.gz NDPNPDCCYYBFQK-MAUKXSAKSA-N 1 3 315.461 2.254 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CNCc2ccccc21 ZINC000321001776 356448011 /nfs/dbraw/zinc/44/80/11/356448011.db2.gz NDPNPDCCYYBFQK-MAUKXSAKSA-N 1 3 315.461 2.254 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCCC12CCN(C)CC2 ZINC000360893053 283175109 /nfs/dbraw/zinc/17/51/09/283175109.db2.gz FVZGAFCWVZMOPA-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCCC12CCN(C)CC2 ZINC000360893053 283175113 /nfs/dbraw/zinc/17/51/13/283175113.db2.gz FVZGAFCWVZMOPA-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](N)C(C)C)Cc1ccccc1 ZINC000236826854 202028952 /nfs/dbraw/zinc/02/89/52/202028952.db2.gz IUVVBFLZYUVIBX-SJORKVTESA-N 1 3 305.466 2.039 20 0 DEADHO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000236910346 202067086 /nfs/dbraw/zinc/06/70/86/202067086.db2.gz UVNDUBRQDWFMOY-ABFRBSLYSA-N 1 3 303.450 2.139 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000236946932 202086476 /nfs/dbraw/zinc/08/64/76/202086476.db2.gz VVLFUROCXPXYNL-PBHICJAKSA-N 1 3 321.465 2.007 20 0 DEADHO CC[NH+](CC)Cc1ccc(CNC(=O)C2(N)CCCC2)cc1 ZINC000236916853 202070450 /nfs/dbraw/zinc/07/04/50/202070450.db2.gz FKRIYWACLJSXDH-UHFFFAOYSA-N 1 3 303.450 2.416 20 0 DEADHO CC[C@@H](C)[C@H]([NH3+])C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000236917281 202070606 /nfs/dbraw/zinc/07/06/06/202070606.db2.gz UAGSPLAJOQJIRU-PBHICJAKSA-N 1 3 317.477 2.313 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)[C@@H]2CCCC[NH2+]2)N(C)C)cc1 ZINC000236959381 202093498 /nfs/dbraw/zinc/09/34/98/202093498.db2.gz ABUVEPRZTHZYBF-DLBZAZTESA-N 1 3 303.450 2.110 20 0 DEADHO C[C@H]([NH2+]C1CC1)C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000423770734 283200312 /nfs/dbraw/zinc/20/03/12/283200312.db2.gz IEUSSPUFCSEYOV-NHYWBVRUSA-N 1 3 309.841 2.199 20 0 DEADHO CC(C)CN(C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)C1CCN(C)CC1 ZINC000423767636 283198035 /nfs/dbraw/zinc/19/80/35/283198035.db2.gz WLJSFEQQEJZDQM-ZWKOTPCHSA-N 1 3 321.509 2.201 20 0 DEADHO CCc1cccc(OC[C@H](O)CNC2CC[NH+](CC)CC2)c1 ZINC000387454247 356703700 /nfs/dbraw/zinc/70/37/00/356703700.db2.gz VMXMKTXWBJNFTH-QGZVFWFLSA-N 1 3 306.450 2.063 20 0 DEADHO CC(C)[NH+]1CCC(NC[C@H](O)COCc2cccs2)CC1 ZINC000387387703 356703739 /nfs/dbraw/zinc/70/37/39/356703739.db2.gz IUAIVUKDIMHXDW-HNNXBMFYSA-N 1 3 312.479 2.088 20 0 DEADHO CC(C)[NH+]1CCC(NC[C@H](O)COCc2ccccc2F)CC1 ZINC000387393958 356704165 /nfs/dbraw/zinc/70/41/65/356704165.db2.gz JTDNGHSADPHHJH-KRWDZBQOSA-N 1 3 324.440 2.166 20 0 DEADHO CC(C)(C)C(=O)N1CCC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000393407727 356713173 /nfs/dbraw/zinc/71/31/73/356713173.db2.gz WPLOHGAFVWISED-HZPDHXFCSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)(C)C(=O)N1CCC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000393407727 356713178 /nfs/dbraw/zinc/71/31/78/356713178.db2.gz WPLOHGAFVWISED-HZPDHXFCSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)(C)C(=O)N1CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000393407727 356713182 /nfs/dbraw/zinc/71/31/82/356713182.db2.gz WPLOHGAFVWISED-HZPDHXFCSA-N 1 3 307.482 2.240 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)c2ccc(C[NH3+])cc2)N(C)C)cc1 ZINC000237202910 202189164 /nfs/dbraw/zinc/18/91/64/202189164.db2.gz MTKAUUCSCWHJNC-GOSISDBHSA-N 1 3 311.429 2.486 20 0 DEADHO O[C@H](C[NH2+]CC1CCN(c2ccncc2)CC1)CC(F)(F)F ZINC000581365473 357174540 /nfs/dbraw/zinc/17/45/40/357174540.db2.gz SWJULRQKOBSRBM-AWEZNQCLSA-N 1 3 317.355 2.201 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418800394 283254248 /nfs/dbraw/zinc/25/42/48/283254248.db2.gz WQVMYEQOPLJXEO-SJORKVTESA-N 1 3 324.513 2.411 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000591158891 357683288 /nfs/dbraw/zinc/68/32/88/357683288.db2.gz PSQZOIWNLFKANU-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000591158891 357683290 /nfs/dbraw/zinc/68/32/90/357683290.db2.gz PSQZOIWNLFKANU-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO C[N@H+](CCNC(=O)N1CCCN(C(C)(C)C)CC1)C1CCCC1 ZINC000591626747 357746588 /nfs/dbraw/zinc/74/65/88/357746588.db2.gz IYTLJLNGMXNHHM-UHFFFAOYSA-N 1 3 324.513 2.377 20 0 DEADHO C[N@@H+](CCNC(=O)N1CCCN(C(C)(C)C)CC1)C1CCCC1 ZINC000591626747 357746589 /nfs/dbraw/zinc/74/65/89/357746589.db2.gz IYTLJLNGMXNHHM-UHFFFAOYSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)/C=C\CN(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000492090790 283308620 /nfs/dbraw/zinc/30/86/20/283308620.db2.gz RDDCBKNEOZRMMK-FNKXVUGSSA-N 1 3 315.461 2.274 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)/C=C\CN(C)C)CC[N@H+]1Cc1ccccc1 ZINC000492090790 283308622 /nfs/dbraw/zinc/30/86/22/283308622.db2.gz RDDCBKNEOZRMMK-FNKXVUGSSA-N 1 3 315.461 2.274 20 0 DEADHO CCCN1CC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)C1 ZINC000666924481 540364092 /nfs/dbraw/zinc/36/40/92/540364092.db2.gz GNQWEZXTIISOLS-ZACQAIPSSA-N 1 3 322.497 2.127 20 0 DEADHO CCCN1CC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)C1 ZINC000666924481 540364095 /nfs/dbraw/zinc/36/40/95/540364095.db2.gz GNQWEZXTIISOLS-ZACQAIPSSA-N 1 3 322.497 2.127 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000349188093 283332766 /nfs/dbraw/zinc/33/27/66/283332766.db2.gz KOMMOROYYIZWQC-IAGOWNOFSA-N 1 3 307.482 2.338 20 0 DEADHO NCc1cn([C@H]2CCC[N@H+](Cc3ccccc3C3CC3)C2)nn1 ZINC000667040361 540384696 /nfs/dbraw/zinc/38/46/96/540384696.db2.gz BXQNPOLIDTXVGV-KRWDZBQOSA-N 1 3 311.433 2.451 20 0 DEADHO NCc1cn([C@H]2CCC[N@@H+](Cc3ccccc3C3CC3)C2)nn1 ZINC000667040361 540384699 /nfs/dbraw/zinc/38/46/99/540384699.db2.gz BXQNPOLIDTXVGV-KRWDZBQOSA-N 1 3 311.433 2.451 20 0 DEADHO CCC(CC)[C@H](CNC[C@H]1CNc2ccnn2C1)[NH+]1CCCC1 ZINC000595138215 358392757 /nfs/dbraw/zinc/39/27/57/358392757.db2.gz BJPOUPVYQXXXOG-RDJZCZTQSA-N 1 3 319.497 2.415 20 0 DEADHO C[C@H]([NH3+])c1ccc(NC(=O)Nc2cnn(CCN(C)C)c2)cc1 ZINC000667156550 540404505 /nfs/dbraw/zinc/40/45/05/540404505.db2.gz VSRATYQJZYBVIJ-LBPRGKRZSA-N 1 3 316.409 2.108 20 0 DEADHO COC(=O)[C@H]1C[C@H](N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000597244154 358867695 /nfs/dbraw/zinc/86/76/95/358867695.db2.gz JPGRWPPMKXGOHC-DKIMLUQUSA-N 1 3 316.445 2.438 20 0 DEADHO COC(=O)[C@H]1C[C@H](N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000597244154 358867697 /nfs/dbraw/zinc/86/76/97/358867697.db2.gz JPGRWPPMKXGOHC-DKIMLUQUSA-N 1 3 316.445 2.438 20 0 DEADHO NCc1cccc(NC(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000667735294 540517614 /nfs/dbraw/zinc/51/76/14/540517614.db2.gz PMAGAZSXEIYUKW-UHFFFAOYSA-N 1 3 302.422 2.141 20 0 DEADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000667833333 540536100 /nfs/dbraw/zinc/53/61/00/540536100.db2.gz SMICNRCEUXFFFL-BPQIPLTHSA-N 1 3 315.461 2.256 20 0 DEADHO Cn1ncc(C2CC2)c1CN1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000668169100 540606259 /nfs/dbraw/zinc/60/62/59/540606259.db2.gz IWYHCVQNBLKRPZ-INIZCTEOSA-N 1 3 302.466 2.461 20 0 DEADHO CN1CCC[C@@H](NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000668330420 540649696 /nfs/dbraw/zinc/64/96/96/540649696.db2.gz RKVGLHONRACLDG-MSOLQXFVSA-N 1 3 315.461 2.076 20 0 DEADHO Cc1ccccc1CN1CCC(NC(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000237729107 202341067 /nfs/dbraw/zinc/34/10/67/202341067.db2.gz SRTIYDOMEJOWBB-LJQANCHMSA-N 1 3 315.461 2.075 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)cc1 ZINC000668555653 540686748 /nfs/dbraw/zinc/68/67/48/540686748.db2.gz BAFXPXPYKXGMNM-IBGZPJMESA-N 1 3 318.461 2.364 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+]2CCC[C@@](O)(C3CC3)C2)cc1 ZINC000668555653 540686749 /nfs/dbraw/zinc/68/67/49/540686749.db2.gz BAFXPXPYKXGMNM-IBGZPJMESA-N 1 3 318.461 2.364 20 0 DEADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C3(N)CCC3)cc2)C1 ZINC000449323213 240361764 /nfs/dbraw/zinc/36/17/64/240361764.db2.gz STESBGCQKLFKER-HNNXBMFYSA-N 1 3 315.461 2.416 20 0 DEADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C3(N)CCC3)cc2)C1 ZINC000449323213 240361777 /nfs/dbraw/zinc/36/17/77/240361777.db2.gz STESBGCQKLFKER-HNNXBMFYSA-N 1 3 315.461 2.416 20 0 DEADHO COC(=O)c1ccc(CNCC2CC[NH+](CC3CC3)CC2)n1C ZINC000602029359 360246250 /nfs/dbraw/zinc/24/62/50/360246250.db2.gz VCQZCPOHYWZIAP-UHFFFAOYSA-N 1 3 319.449 2.023 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000669529920 540854208 /nfs/dbraw/zinc/85/42/08/540854208.db2.gz IYCNWAOMDPCAPF-SJORKVTESA-N 1 3 322.497 2.034 20 0 DEADHO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000237941013 283594066 /nfs/dbraw/zinc/59/40/66/283594066.db2.gz WAFJWKBXJZBHQT-ZACQAIPSSA-N 1 3 301.434 2.067 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)NC[C@H](C)[NH3+])N(CC)CC)cc1 ZINC000669590897 540870681 /nfs/dbraw/zinc/87/06/81/540870681.db2.gz STUJULBIGMIGMD-WMLDXEAASA-N 1 3 320.481 2.278 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC(C)([NH3+])CC1)c1ccco1 ZINC000669584117 540869138 /nfs/dbraw/zinc/86/91/38/540869138.db2.gz GXWRTCXWGQGXKD-UONOGXRCSA-N 1 3 322.453 2.232 20 0 DEADHO CN1CCC(CC(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000292662369 223190157 /nfs/dbraw/zinc/19/01/57/223190157.db2.gz ATDAQXTZIZEYOH-UHFFFAOYSA-N 1 3 317.477 2.139 20 0 DEADHO C[NH+]1CCC(C(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1 ZINC000193426996 201050015 /nfs/dbraw/zinc/05/00/15/201050015.db2.gz CZDOMXCJWLPYNR-GOSISDBHSA-N 1 3 311.429 2.298 20 0 DEADHO C[C@H](NCCOCC[NH+](C)C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000447601543 239035322 /nfs/dbraw/zinc/03/53/22/239035322.db2.gz QGADHCCAIWYKEZ-ZDUSSCGKSA-N 1 3 319.449 2.145 20 0 DEADHO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000619900054 363895949 /nfs/dbraw/zinc/89/59/49/363895949.db2.gz RLDFCSZQSCMUHD-SFHVURJKSA-N 1 3 324.428 2.461 20 0 DEADHO CCC[N@H+]1CC[C@H](NC(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000619900054 363895952 /nfs/dbraw/zinc/89/59/52/363895952.db2.gz RLDFCSZQSCMUHD-SFHVURJKSA-N 1 3 324.428 2.461 20 0 DEADHO C[C@@H](NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)C1=CCN(C)CC1 ZINC000352072851 296055367 /nfs/dbraw/zinc/05/53/67/296055367.db2.gz AUGCQJRKGNFICV-CABCVRRESA-N 1 3 322.497 2.009 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000620930898 364205300 /nfs/dbraw/zinc/20/53/00/364205300.db2.gz ZQPISRHFBFFFSM-QGZVFWFLSA-N 1 3 307.482 2.099 20 0 DEADHO C[NH+](C)C1CC(NC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000622007145 364632017 /nfs/dbraw/zinc/63/20/17/364632017.db2.gz SMNCGNNCGRDKRZ-UHFFFAOYSA-N 1 3 315.461 2.495 20 0 DEADHO C[C@H](NC(=O)Nc1cccc(CN(C)C)c1)[C@H]1CCC[NH2+]C1 ZINC000623055317 364869820 /nfs/dbraw/zinc/86/98/20/364869820.db2.gz PBTYLXFQJJXIGU-ZFWWWQNUSA-N 1 3 304.438 2.258 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000623072353 364875213 /nfs/dbraw/zinc/87/52/13/364875213.db2.gz YUPFLFJMHLZDER-GJZGRUSLSA-N 1 3 302.422 2.140 20 0 DEADHO FC(F)CN1CCC(C[NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000623089480 364880580 /nfs/dbraw/zinc/88/05/80/364880580.db2.gz JQUHGCBRXXUUEC-GJZGRUSLSA-N 1 3 301.425 2.180 20 0 DEADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]C[C@@H](O)C(F)F)CC1 ZINC000449172894 240153439 /nfs/dbraw/zinc/15/34/39/240153439.db2.gz NAAFYBBZFRTKFW-XJKSGUPXSA-N 1 3 312.404 2.298 20 0 DEADHO CN1CCCC[C@@H](C[NH2+]C2CCN(c3ccccn3)CC2)C1 ZINC000624120936 365296486 /nfs/dbraw/zinc/29/64/86/365296486.db2.gz KKUMCZHDKLKFOD-INIZCTEOSA-N 1 3 302.466 2.372 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CCCC[N@H+](C)C2)c1 ZINC000628746452 366950305 /nfs/dbraw/zinc/95/03/05/366950305.db2.gz CCEIIDDIHFWAKQ-MRXNPFEDSA-N 1 3 303.450 2.210 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000628746452 366950313 /nfs/dbraw/zinc/95/03/13/366950313.db2.gz CCEIIDDIHFWAKQ-MRXNPFEDSA-N 1 3 303.450 2.210 20 0 DEADHO CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000449816532 241114617 /nfs/dbraw/zinc/11/46/17/241114617.db2.gz XZTFRRZSYNTUBR-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000449816532 241114629 /nfs/dbraw/zinc/11/46/29/241114629.db2.gz XZTFRRZSYNTUBR-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO c1c(CN[C@@H]2CCC[C@H]2c2ccccc2)nnn1[C@H]1CC[NH2+]C1 ZINC000629404514 367190893 /nfs/dbraw/zinc/19/08/93/367190893.db2.gz GBURTXUJTZBGRT-OKZBNKHCSA-N 1 3 311.433 2.238 20 0 DEADHO CC1(C)C[C@]1(CNC[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000629585318 367263509 /nfs/dbraw/zinc/26/35/09/367263509.db2.gz RDQJOXQBOOIFDE-MJGOQNOKSA-N 1 3 302.462 2.401 20 0 DEADHO Cc1ccc(C(C)(C)CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000629524858 367234710 /nfs/dbraw/zinc/23/47/10/367234710.db2.gz VEAZVIOQCSDRRZ-YESZJQIVSA-N 1 3 317.477 2.414 20 0 DEADHO Fc1cccc(OC2CCN(C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)c1 ZINC000629552844 367246061 /nfs/dbraw/zinc/24/60/61/367246061.db2.gz RFZDFKDBIVYPTJ-KRWDZBQOSA-N 1 3 320.408 2.190 20 0 DEADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+]CC2=CCCOC2)cc1 ZINC000629649279 367286268 /nfs/dbraw/zinc/28/62/68/367286268.db2.gz OCWPXJFDYSKYBK-AEFFLSMTSA-N 1 3 304.409 2.455 20 0 DEADHO C[C@@H](C[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1)C1CCCCC1 ZINC000629661065 367291107 /nfs/dbraw/zinc/29/11/07/367291107.db2.gz APDKPTIRPKUEDI-HOTGVXAUSA-N 1 3 309.498 2.332 20 0 DEADHO C[C@@H](C[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1)C1CCCCC1 ZINC000629661065 367291111 /nfs/dbraw/zinc/29/11/11/367291111.db2.gz APDKPTIRPKUEDI-HOTGVXAUSA-N 1 3 309.498 2.332 20 0 DEADHO CN(CC(=O)NCc1ccccc1C[NH+]1CCCC1)C1CCC1 ZINC000629944309 367388256 /nfs/dbraw/zinc/38/82/56/367388256.db2.gz MKXVOWCHPXKUPZ-UHFFFAOYSA-N 1 3 315.461 2.383 20 0 DEADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[N@H+](C)Cc1ccccc1 ZINC000629966493 367403086 /nfs/dbraw/zinc/40/30/86/367403086.db2.gz YCUDRKNUYXDXRX-INIZCTEOSA-N 1 3 317.477 2.498 20 0 DEADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[N@@H+](C)Cc1ccccc1 ZINC000629966493 367403092 /nfs/dbraw/zinc/40/30/92/367403092.db2.gz YCUDRKNUYXDXRX-INIZCTEOSA-N 1 3 317.477 2.498 20 0 DEADHO CC[C@@H](C)[NH2+][C@H](CNC(=O)CN(C)C1CCC1)c1ccco1 ZINC000629991954 367424771 /nfs/dbraw/zinc/42/47/71/367424771.db2.gz IXTDEAIMFWNGEC-UKRRQHHQSA-N 1 3 307.438 2.309 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCN(CC(C)(C)O)C[C@@H]1C ZINC000450810420 242250736 /nfs/dbraw/zinc/25/07/36/242250736.db2.gz MMAJEQWJZDUHRI-DLBZAZTESA-N 1 3 311.514 2.026 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1CN1CCN(CC(C)(C)O)C[C@@H]1C ZINC000450810420 242250746 /nfs/dbraw/zinc/25/07/46/242250746.db2.gz MMAJEQWJZDUHRI-DLBZAZTESA-N 1 3 311.514 2.026 20 0 DEADHO FC(F)[C@@H]1CCN(CCOCC[N@@H+]2CC[C@@H](C(F)F)C2)C1 ZINC000677735430 541623418 /nfs/dbraw/zinc/62/34/18/541623418.db2.gz ZSFCNMHBTCHTET-VXGBXAGGSA-N 1 3 312.351 2.177 20 0 DEADHO FC(F)[C@@H]1CCN(CCOCC[N@H+]2CC[C@@H](C(F)F)C2)C1 ZINC000677735430 541623421 /nfs/dbraw/zinc/62/34/21/541623421.db2.gz ZSFCNMHBTCHTET-VXGBXAGGSA-N 1 3 312.351 2.177 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C1CCN(C)CC1 ZINC000631195346 368073123 /nfs/dbraw/zinc/07/31/23/368073123.db2.gz FOUSKMNOZXTIMD-FUHWJXTLSA-N 1 3 301.478 2.438 20 0 DEADHO CN(C)CCN(Cc1ccccc1F)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261647057 203087009 /nfs/dbraw/zinc/08/70/09/203087009.db2.gz BCADYSRPEMEZHW-GDBMZVCRSA-N 1 3 321.440 2.091 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(C)nc2C)CC1 ZINC000678412437 541726044 /nfs/dbraw/zinc/72/60/44/541726044.db2.gz WNEHDYVFDLGLFZ-MRXNPFEDSA-N 1 3 304.482 2.377 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)CC[C@@H]2CC[NH2+]C2)CN1Cc1ccccc1 ZINC000261914888 203150245 /nfs/dbraw/zinc/15/02/45/203150245.db2.gz WYCBTDZGHWZRMS-NUJGCVRESA-N 1 3 315.461 2.155 20 0 DEADHO CCC[C@@](C)(N)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000262141591 203210255 /nfs/dbraw/zinc/21/02/55/203210255.db2.gz PCQCDOGCRYQXKE-PKOBYXMFSA-N 1 3 317.477 2.484 20 0 DEADHO CCC[C@@](C)(N)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000262141591 203210258 /nfs/dbraw/zinc/21/02/58/203210258.db2.gz PCQCDOGCRYQXKE-PKOBYXMFSA-N 1 3 317.477 2.484 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262395607 203283214 /nfs/dbraw/zinc/28/32/14/203283214.db2.gz QFRXIYXKFVVDQA-YJBOKZPZSA-N 1 3 317.477 2.485 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000262563086 203331868 /nfs/dbraw/zinc/33/18/68/203331868.db2.gz APRQXLGQPRAMDO-RYQLBKOJSA-N 1 3 315.461 2.237 20 0 DEADHO CN1CCC(Nc2ccccc2NC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000262629290 203356714 /nfs/dbraw/zinc/35/67/14/203356714.db2.gz DAEKRAIHNQOZDZ-KGLIPLIRSA-N 1 3 316.449 2.259 20 0 DEADHO N[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000262655626 203366480 /nfs/dbraw/zinc/36/64/80/203366480.db2.gz CJMBGIQLJLAYKF-QZTJIDSGSA-N 1 3 315.461 2.033 20 0 DEADHO CCC[C@@](C)(N)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000262707935 203389462 /nfs/dbraw/zinc/38/94/62/203389462.db2.gz NWJMPQGGWQXPRW-IEBWSBKVSA-N 1 3 317.477 2.185 20 0 DEADHO CCC[C@@](C)(N)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000262707935 203389464 /nfs/dbraw/zinc/38/94/64/203389464.db2.gz NWJMPQGGWQXPRW-IEBWSBKVSA-N 1 3 317.477 2.185 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)[C@@H](C)C1 ZINC000453333199 245074638 /nfs/dbraw/zinc/07/46/38/245074638.db2.gz BEULOXNGBNCMJZ-DHVPZBTDSA-N 1 3 323.525 2.338 20 0 DEADHO C[C@@H]([NH2+]C[C@H](O)C1CCC1)c1ccc(OCCN(C)C)cc1 ZINC000453389518 245114496 /nfs/dbraw/zinc/11/44/96/245114496.db2.gz RKXDGMINEWHPKO-KDOFPFPSSA-N 1 3 306.450 2.439 20 0 DEADHO CC1(C)[C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H]1O ZINC000679375058 541846050 /nfs/dbraw/zinc/84/60/50/541846050.db2.gz YRDIVJQOMGWBJI-MSOLQXFVSA-N 1 3 318.461 2.410 20 0 DEADHO C[C@H](CCC[NH3+])N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000530222674 284377918 /nfs/dbraw/zinc/37/79/18/284377918.db2.gz SUXDVFJMBPRDGI-MFKMUULPSA-N 1 3 313.804 2.301 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000458368065 248277749 /nfs/dbraw/zinc/27/77/49/248277749.db2.gz DMAIFKFTJFLMIW-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO CN1CCC[C@@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC000681512514 542159115 /nfs/dbraw/zinc/15/91/15/542159115.db2.gz NTGOWCPELSONJZ-MRXNPFEDSA-N 1 3 324.513 2.425 20 0 DEADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000309820121 291692512 /nfs/dbraw/zinc/69/25/12/291692512.db2.gz ZFQRYRVZFMCKPW-MAUKXSAKSA-N 1 3 315.461 2.107 20 0 DEADHO CC[N@H+](C)Cc1cccc(CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC000106460070 194217719 /nfs/dbraw/zinc/21/77/19/194217719.db2.gz DKQZVGIJBDUBKI-KRWDZBQOSA-N 1 3 305.466 2.341 20 0 DEADHO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC000106460070 194217722 /nfs/dbraw/zinc/21/77/22/194217722.db2.gz DKQZVGIJBDUBKI-KRWDZBQOSA-N 1 3 305.466 2.341 20 0 DEADHO CC[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc2c(c1)CCO2 ZINC000268879766 207047983 /nfs/dbraw/zinc/04/79/83/207047983.db2.gz XMJNMDRSAQEXLU-DLBZAZTESA-N 1 3 304.434 2.119 20 0 DEADHO CO[C@H]1CN(Cc2ccc(OCC[NH+](C)C)cc2)CC[C@@H]1C ZINC000682245309 542280867 /nfs/dbraw/zinc/28/08/67/542280867.db2.gz HQINKPMVSBNHHZ-YJBOKZPZSA-N 1 3 306.450 2.484 20 0 DEADHO CN1CCC(O)(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000268956871 207120579 /nfs/dbraw/zinc/12/05/79/207120579.db2.gz DRJWUJGQLDRTQG-ZWKOTPCHSA-N 1 3 302.462 2.444 20 0 DEADHO COc1ccc([C@H](C)[C@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000269051510 207201492 /nfs/dbraw/zinc/20/14/92/207201492.db2.gz RHFADIKUWCLAAB-CABCVRRESA-N 1 3 306.450 2.234 20 0 DEADHO [NH3+]CC1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000269192308 207312387 /nfs/dbraw/zinc/31/23/87/207312387.db2.gz RGYUFGKAMBIFNB-UHFFFAOYSA-N 1 3 315.461 2.096 20 0 DEADHO CCN(CC)[C@H](CNC(=O)CCC[NH2+]C)c1cccc(OC)c1 ZINC000269241225 207371986 /nfs/dbraw/zinc/37/19/86/207371986.db2.gz RCEOGOWGBHZHNV-QGZVFWFLSA-N 1 3 321.465 2.194 20 0 DEADHO COc1ccc(C)cc1CN1CCN(CC2CC[NH2+]CC2)CC1 ZINC000682703625 542344461 /nfs/dbraw/zinc/34/44/61/542344461.db2.gz KHBYHIPYNDYHAJ-UHFFFAOYSA-N 1 3 317.477 2.121 20 0 DEADHO CCN(CC)CC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000119670881 195014824 /nfs/dbraw/zinc/01/48/24/195014824.db2.gz JVKIZFQTTKTQKI-HNNXBMFYSA-N 1 3 323.506 2.418 20 0 DEADHO CCN(CC)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000119670881 195014827 /nfs/dbraw/zinc/01/48/27/195014827.db2.gz JVKIZFQTTKTQKI-HNNXBMFYSA-N 1 3 323.506 2.418 20 0 DEADHO CC[NH+](CC)Cc1ccccc1CN[C@H]1CCCN(C)C1=O ZINC000538707102 285050932 /nfs/dbraw/zinc/05/09/32/285050932.db2.gz WPTFTWQILBTRKR-KRWDZBQOSA-N 1 3 303.450 2.239 20 0 DEADHO COc1ccc([C@@H](CN(C)C)NC(=O)CCCC[NH+](C)C)cc1 ZINC000557204490 291861982 /nfs/dbraw/zinc/86/19/82/291861982.db2.gz ARDGJIMGTZNKAB-QGZVFWFLSA-N 1 3 321.465 2.146 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000557232562 291863096 /nfs/dbraw/zinc/86/30/96/291863096.db2.gz AEFJLOVOHNHMOA-BBWFWOEESA-N 1 3 322.497 2.164 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000158460932 197273778 /nfs/dbraw/zinc/27/37/78/197273778.db2.gz UMRCIUOPGSFXGF-MRXNPFEDSA-N 1 3 312.502 2.088 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000158460932 197273781 /nfs/dbraw/zinc/27/37/81/197273781.db2.gz UMRCIUOPGSFXGF-MRXNPFEDSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H](NC(=O)NCCC[NH2+]C1CC1)[C@H](c1ccccc1)N(C)C ZINC000418159572 533161522 /nfs/dbraw/zinc/16/15/22/533161522.db2.gz AJYARLLACRCPON-RHSMWYFYSA-N 1 3 318.465 2.119 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CC=CC[C@@H]1C ZINC000342569679 285247854 /nfs/dbraw/zinc/24/78/54/285247854.db2.gz AZFWDFWHBKPYAF-KSZLIROESA-N 1 3 321.509 2.463 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CC=CC[C@@H]1C ZINC000342569679 285247856 /nfs/dbraw/zinc/24/78/56/285247856.db2.gz AZFWDFWHBKPYAF-KSZLIROESA-N 1 3 321.509 2.463 20 0 DEADHO OCCOCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453068481 285262480 /nfs/dbraw/zinc/26/24/80/285262480.db2.gz AHTVHUXZYCDNAN-OTWHNJEPSA-N 1 3 318.461 2.028 20 0 DEADHO OCCOCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453068481 285262481 /nfs/dbraw/zinc/26/24/81/285262481.db2.gz AHTVHUXZYCDNAN-OTWHNJEPSA-N 1 3 318.461 2.028 20 0 DEADHO OCC[C@H]1CCCC[N@H+]1C/C=C/CN1CCCC[C@H]1CCO ZINC000111240093 285266502 /nfs/dbraw/zinc/26/65/02/285266502.db2.gz RSSURZGMTHKROJ-FBLDJFESSA-N 1 3 310.482 2.016 20 0 DEADHO OCC[C@H]1CCCC[N@@H+]1C/C=C/CN1CCCC[C@H]1CCO ZINC000111240093 285266504 /nfs/dbraw/zinc/26/65/04/285266504.db2.gz RSSURZGMTHKROJ-FBLDJFESSA-N 1 3 310.482 2.016 20 0 DEADHO OCC[C@H]1CCCCN1C/C=C/C[N@@H+]1CCCC[C@H]1CCO ZINC000111240093 285266505 /nfs/dbraw/zinc/26/65/05/285266505.db2.gz RSSURZGMTHKROJ-FBLDJFESSA-N 1 3 310.482 2.016 20 0 DEADHO OCC[C@H]1CCCCN1C/C=C/C[N@H+]1CCCC[C@H]1CCO ZINC000111240093 285266507 /nfs/dbraw/zinc/26/65/07/285266507.db2.gz RSSURZGMTHKROJ-FBLDJFESSA-N 1 3 310.482 2.016 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H](C)SC ZINC000339830218 285276989 /nfs/dbraw/zinc/27/69/89/285276989.db2.gz RUNCIZZSMSPEFM-GJZGRUSLSA-N 1 3 315.527 2.003 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H](C)SC ZINC000339830218 285276992 /nfs/dbraw/zinc/27/69/92/285276992.db2.gz RUNCIZZSMSPEFM-GJZGRUSLSA-N 1 3 315.527 2.003 20 0 DEADHO C[C@H]1CSC[C@H]1[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000294878174 224280108 /nfs/dbraw/zinc/28/01/08/224280108.db2.gz XHRZMAMQSQVMQY-KBXCAEBGSA-N 1 3 320.502 2.484 20 0 DEADHO COc1ccsc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000289888240 221293503 /nfs/dbraw/zinc/29/35/03/221293503.db2.gz SQKDAHZETIVLBC-UHFFFAOYSA-N 1 3 311.495 2.215 20 0 DEADHO CN(C)CCN1CCC([NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000683927574 542519255 /nfs/dbraw/zinc/51/92/55/542519255.db2.gz LLHIZCJCRCCJTN-UHFFFAOYSA-N 1 3 300.450 2.284 20 0 DEADHO C[C@@H]([NH2+]CC1(N(C)C)CC1)c1ccc(OCCN(C)C)cc1 ZINC000417356029 533358938 /nfs/dbraw/zinc/35/89/38/533358938.db2.gz OXIZUAWEEGKCEX-OAHLLOKOSA-N 1 3 305.466 2.372 20 0 DEADHO C[C@@H](NC(C)(C)CNC(=O)NCC(C)(C)[NH3+])c1ccccc1 ZINC000417699695 533322454 /nfs/dbraw/zinc/32/24/54/533322454.db2.gz HUNUBDAFUHDUSJ-CYBMUJFWSA-N 1 3 306.454 2.152 20 0 DEADHO COc1cccc(C2(CN[C@@H]3CCOC[C@H]3[C@H](C)[NH3+])CC2)c1 ZINC000423127630 533436351 /nfs/dbraw/zinc/43/63/51/533436351.db2.gz UJAMXXNAKCZHIS-RRQGHBQHSA-N 1 3 304.434 2.069 20 0 DEADHO COc1cccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@H](C)N)CC2)c1 ZINC000423127630 533436355 /nfs/dbraw/zinc/43/63/55/533436355.db2.gz UJAMXXNAKCZHIS-RRQGHBQHSA-N 1 3 304.434 2.069 20 0 DEADHO C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])c1cc(F)ccc1N1CCN(C)CC1 ZINC000422747683 533498103 /nfs/dbraw/zinc/49/81/03/533498103.db2.gz ZIIVMVYKYAHKGG-SOUVJXGZSA-N 1 3 322.472 2.354 20 0 DEADHO CN1CCN(CC[NH2+]Cc2cc3ccccc3[nH]2)CC1(C)C ZINC000685043656 542703305 /nfs/dbraw/zinc/70/33/05/542703305.db2.gz YNRLLBIKLBLMNJ-UHFFFAOYSA-N 1 3 300.450 2.284 20 0 DEADHO CSC1(CNCc2cc(C(F)(F)F)n[nH]2)CC[NH+](C)CC1 ZINC000353214251 132959148 /nfs/dbraw/zinc/95/91/48/132959148.db2.gz CDQCUOMDCQMFBD-UHFFFAOYSA-N 1 3 322.400 2.346 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC(C[NH+](C)C)CC1)N1CCCCC1 ZINC000358017291 133115790 /nfs/dbraw/zinc/11/57/90/133115790.db2.gz VRAQGQUAZRYLRJ-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO O=C(C1CCC1)N(CCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000358082612 133119514 /nfs/dbraw/zinc/11/95/14/133119514.db2.gz JOIGFWZWGMEJGZ-FUHWJXTLSA-N 1 3 319.493 2.384 20 0 DEADHO O=C(C1CCC1)N(CCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000358082612 133119515 /nfs/dbraw/zinc/11/95/15/133119515.db2.gz JOIGFWZWGMEJGZ-FUHWJXTLSA-N 1 3 319.493 2.384 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)C2=CCN(C)CC2)C[C@H]1C ZINC000358101834 133120848 /nfs/dbraw/zinc/12/08/48/133120848.db2.gz HHKLRQDSYOIHSO-VYDXJSESSA-N 1 3 322.497 2.151 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)C2=CCN(C)CC2)C[C@H]1C ZINC000358101834 133120849 /nfs/dbraw/zinc/12/08/49/133120849.db2.gz HHKLRQDSYOIHSO-VYDXJSESSA-N 1 3 322.497 2.151 20 0 DEADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2cccnc2)C[C@@H]1C ZINC000358228497 133130007 /nfs/dbraw/zinc/13/00/07/133130007.db2.gz VOJZLMURNHNPCM-GOEBONIOSA-N 1 3 304.438 2.215 20 0 DEADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2cccnc2)C[C@@H]1C ZINC000358228497 133130008 /nfs/dbraw/zinc/13/00/08/133130008.db2.gz VOJZLMURNHNPCM-GOEBONIOSA-N 1 3 304.438 2.215 20 0 DEADHO CN(C(=O)c1ccc(Nc2ccncc2)cc1)C1CC[NH+](C)CC1 ZINC000360182118 133167521 /nfs/dbraw/zinc/16/75/21/133167521.db2.gz GKHOTYBBGIBQRJ-UHFFFAOYSA-N 1 3 324.428 2.413 20 0 DEADHO C[C@H]1CN(CCCc2ccncc2)CC[N@@H+]1C1CCN(C)CC1 ZINC000360470215 133184251 /nfs/dbraw/zinc/18/42/51/133184251.db2.gz RTQBNJPFGLZIFM-KRWDZBQOSA-N 1 3 316.493 2.115 20 0 DEADHO C[C@H]1CN(CCCc2ccncc2)CC[N@H+]1C1CCN(C)CC1 ZINC000360470215 133184252 /nfs/dbraw/zinc/18/42/52/133184252.db2.gz RTQBNJPFGLZIFM-KRWDZBQOSA-N 1 3 316.493 2.115 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CCn2cncn2)CC1 ZINC000368553458 133278381 /nfs/dbraw/zinc/27/83/81/133278381.db2.gz CUQQSBOFYLSZFQ-INIZCTEOSA-N 1 3 305.470 2.255 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCC1CCN(CCn2cncn2)CC1 ZINC000368553458 133278382 /nfs/dbraw/zinc/27/83/82/133278382.db2.gz CUQQSBOFYLSZFQ-INIZCTEOSA-N 1 3 305.470 2.255 20 0 DEADHO O=C(CC[NH2+]C[C@@H]1CCN(C2CC2)C1)Nc1cc(F)cc(F)c1 ZINC000562988253 292022288 /nfs/dbraw/zinc/02/22/88/292022288.db2.gz NEQVKIYXRBECJB-LBPRGKRZSA-N 1 3 323.387 2.367 20 0 DEADHO O=C(CCNC[C@@H]1CC[N@@H+](C2CC2)C1)Nc1cc(F)cc(F)c1 ZINC000562988253 292022289 /nfs/dbraw/zinc/02/22/89/292022289.db2.gz NEQVKIYXRBECJB-LBPRGKRZSA-N 1 3 323.387 2.367 20 0 DEADHO O=C(CCNC[C@@H]1CC[N@H+](C2CC2)C1)Nc1cc(F)cc(F)c1 ZINC000562988253 292022290 /nfs/dbraw/zinc/02/22/90/292022290.db2.gz NEQVKIYXRBECJB-LBPRGKRZSA-N 1 3 323.387 2.367 20 0 DEADHO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC000376561489 133300494 /nfs/dbraw/zinc/30/04/94/133300494.db2.gz IPFAKRWLKJQYGS-YJBOKZPZSA-N 1 3 315.461 2.447 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000376571343 133300815 /nfs/dbraw/zinc/30/08/15/133300815.db2.gz AALKZSFPOAXKPC-IRXDYDNUSA-N 1 3 322.497 2.131 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000376571343 133300816 /nfs/dbraw/zinc/30/08/16/133300816.db2.gz AALKZSFPOAXKPC-IRXDYDNUSA-N 1 3 322.497 2.131 20 0 DEADHO C[NH+](C)C[C@H]1CCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000563097631 292031346 /nfs/dbraw/zinc/03/13/46/292031346.db2.gz ZICBUYHJPHRRLG-GDBMZVCRSA-N 1 3 303.450 2.123 20 0 DEADHO C[C@H](C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)[C@H](N)c1ccccc1 ZINC000563875206 292077644 /nfs/dbraw/zinc/07/76/44/292077644.db2.gz XKZKGKWPYGCUNT-HPBDAGMYSA-N 1 3 315.461 2.313 20 0 DEADHO C[C@@H]([NH2+]CCc1cncn1C)c1ccc(OCCN(C)C)cc1 ZINC000564748073 292108726 /nfs/dbraw/zinc/10/87/26/292108726.db2.gz IPLMLGLICXSCGW-OAHLLOKOSA-N 1 3 316.449 2.254 20 0 DEADHO CC(C)[NH2+]CCC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000564907820 292120092 /nfs/dbraw/zinc/12/00/92/292120092.db2.gz QYCQLZNDTCYAIM-NVXWUHKLSA-N 1 3 303.450 2.326 20 0 DEADHO [NH3+]CC[C@H]1CCCN(Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000261753564 145222979 /nfs/dbraw/zinc/22/29/79/145222979.db2.gz CIKDEQGRSDDLEK-CYBMUJFWSA-N 1 3 319.840 2.482 20 0 DEADHO C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000261826932 145230992 /nfs/dbraw/zinc/23/09/92/145230992.db2.gz BEUJXUCUNIPZMG-HUUCEWRRSA-N 1 3 301.434 2.025 20 0 DEADHO COc1cc2c(cc1OC)CN(CC[C@H]1CCC[NH2+]C1)CC2 ZINC000262017383 145253847 /nfs/dbraw/zinc/25/38/47/145253847.db2.gz XBXKQJMJAYTLEL-CQSZACIVSA-N 1 3 304.434 2.452 20 0 DEADHO Cc1cc(Cl)cc(C)c1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262148849 145265866 /nfs/dbraw/zinc/26/58/66/145265866.db2.gz QUKSMJXPCCOIHZ-INIZCTEOSA-N 1 3 307.869 2.436 20 0 DEADHO FC(F)(F)CN1CC[C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000262290743 145273722 /nfs/dbraw/zinc/27/37/22/145273722.db2.gz NEBRUJWQAQIDLL-KBUPBQIOSA-N 1 3 319.415 2.381 20 0 DEADHO c1cn(CCN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000310009560 145352405 /nfs/dbraw/zinc/35/24/05/145352405.db2.gz JOJGSYVZYYHGLV-OALUTQOASA-N 1 3 310.445 2.337 20 0 DEADHO c1cn(CCN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000310009560 145352407 /nfs/dbraw/zinc/35/24/07/145352407.db2.gz JOJGSYVZYYHGLV-OALUTQOASA-N 1 3 310.445 2.337 20 0 DEADHO Cc1ccc(C)c(OCCCN2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000324052220 145381155 /nfs/dbraw/zinc/38/11/55/145381155.db2.gz UUKJPWMUSXTHSN-SFHVURJKSA-N 1 3 317.477 2.052 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000346427457 146079940 /nfs/dbraw/zinc/07/99/40/146079940.db2.gz GFOXDYYCONEYGY-UHFFFAOYSA-N 1 3 306.454 2.135 20 0 DEADHO CCOCCC[N@@H+]1CC[C@@H](NCCn2nc(C)cc2C)[C@@H](C)C1 ZINC000346546939 146100421 /nfs/dbraw/zinc/10/04/21/146100421.db2.gz RFGFEFNXNNGFJM-MAUKXSAKSA-N 1 3 322.497 2.227 20 0 DEADHO CCOCCC[N@H+]1CC[C@@H](NCCn2nc(C)cc2C)[C@@H](C)C1 ZINC000346546939 146100422 /nfs/dbraw/zinc/10/04/22/146100422.db2.gz RFGFEFNXNNGFJM-MAUKXSAKSA-N 1 3 322.497 2.227 20 0 DEADHO C[NH2+]CCC1CCN(Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000346693735 146125715 /nfs/dbraw/zinc/12/57/15/146125715.db2.gz PFOBIJDMIVKKPY-UHFFFAOYSA-N 1 3 304.360 2.267 20 0 DEADHO C[NH2+]CC1CCN(Cc2ccc(O[C@@H](C)C(=O)OC)cc2)CC1 ZINC000347120941 146197212 /nfs/dbraw/zinc/19/72/12/146197212.db2.gz ZFFAVZRBILDQCI-AWEZNQCLSA-N 1 3 320.433 2.058 20 0 DEADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCCc1cccc(F)c1 ZINC000348757538 146303656 /nfs/dbraw/zinc/30/36/56/146303656.db2.gz WUTDJOPHHWIAJT-KRWDZBQOSA-N 1 3 321.440 2.078 20 0 DEADHO COc1ccsc1CN1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000349063827 146346044 /nfs/dbraw/zinc/34/60/44/146346044.db2.gz RVZYLUULAARBCG-UHFFFAOYSA-N 1 3 323.506 2.216 20 0 DEADHO CC[NH+](CC)CCOCCN[C@H](C)c1ccc2c(c1)OCCO2 ZINC000349688158 146396687 /nfs/dbraw/zinc/39/66/87/146396687.db2.gz ACBVRGUSQAZHKZ-OAHLLOKOSA-N 1 3 322.449 2.467 20 0 DEADHO COc1cc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)cc2c1OCO2 ZINC000357052337 147031395 /nfs/dbraw/zinc/03/13/95/147031395.db2.gz NQYPZARJNGVHIA-OAHLLOKOSA-N 1 3 318.417 2.245 20 0 DEADHO [NH3+]CCOCCNC1(c2ccc(Br)cc2)CCC1 ZINC000357102077 147041510 /nfs/dbraw/zinc/04/15/10/147041510.db2.gz IBANZMXXBDNFKS-UHFFFAOYSA-N 1 3 313.239 2.393 20 0 DEADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357105182 147042541 /nfs/dbraw/zinc/04/25/41/147042541.db2.gz NKUSSAGCWRLIFI-CGTJXYLNSA-N 1 3 321.509 2.488 20 0 DEADHO CN(CC1CCCCC1)C(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358507996 147147791 /nfs/dbraw/zinc/14/77/91/147147791.db2.gz NXBDMBWZRUGGMF-UHFFFAOYSA-N 1 3 307.482 2.101 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000358675114 147179337 /nfs/dbraw/zinc/17/93/37/147179337.db2.gz BJIROKZHKVUVQW-AHCXZYCDSA-N 1 3 315.461 2.326 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)[C@H](CN)c2ccc(F)cc2)CC1 ZINC000358862824 147220992 /nfs/dbraw/zinc/22/09/92/147220992.db2.gz YDERUTDJKLUUOB-QGZVFWFLSA-N 1 3 321.440 2.105 20 0 DEADHO CO[C@]1(C[NH2+][C@H](C)c2cccc(OCCN(C)C)c2)CCOC1 ZINC000359406946 147322503 /nfs/dbraw/zinc/32/25/03/147322503.db2.gz AZIFVRJPVFCTTL-QAPCUYQASA-N 1 3 322.449 2.083 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)[C@H]1C[C@]12CC[NH2+]C2)c1ccccc1 ZINC000375256064 148348545 /nfs/dbraw/zinc/34/85/45/148348545.db2.gz MFBKLJXGVQLILD-GMBSWORKSA-N 1 3 315.461 2.232 20 0 DEADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@H](C)N2CCC(C)CC2)CC1 ZINC000111843232 401725691 /nfs/dbraw/zinc/72/56/91/401725691.db2.gz TVZSECKBUOGMRQ-INIZCTEOSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)[NH+](CCNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)C(C)C ZINC000127312233 401728767 /nfs/dbraw/zinc/72/87/67/401728767.db2.gz RCWLHMZMAMARMB-CABCVRRESA-N 1 3 310.486 2.030 20 0 DEADHO Cc1ccc(NC(=O)CCNC[C@@H]2CC[N@@H+](CC(C)C)C2)nc1 ZINC000566113343 292206785 /nfs/dbraw/zinc/20/67/85/292206785.db2.gz YGHDNYRFFATIAA-INIZCTEOSA-N 1 3 318.465 2.286 20 0 DEADHO Cc1ccc(NC(=O)CCNC[C@@H]2CC[N@H+](CC(C)C)C2)nc1 ZINC000566113343 292206787 /nfs/dbraw/zinc/20/67/87/292206787.db2.gz YGHDNYRFFATIAA-INIZCTEOSA-N 1 3 318.465 2.286 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)C[NH+]1CCCCC1 ZINC000126766371 401707494 /nfs/dbraw/zinc/70/74/94/401707494.db2.gz BSCYFRHEZSXHOY-OAGGEKHMSA-N 1 3 322.497 2.033 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000126937781 401713801 /nfs/dbraw/zinc/71/38/01/401713801.db2.gz LPJUPMNNFCLCIN-GOEBONIOSA-N 1 3 322.497 2.033 20 0 DEADHO CCN1CCC(NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000127022220 401716756 /nfs/dbraw/zinc/71/67/56/401716756.db2.gz SOUUPHXXHMKQBJ-MRXNPFEDSA-N 1 3 324.513 2.282 20 0 DEADHO CCN1CCC(NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000127022220 401716759 /nfs/dbraw/zinc/71/67/59/401716759.db2.gz SOUUPHXXHMKQBJ-MRXNPFEDSA-N 1 3 324.513 2.282 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000077644824 401823191 /nfs/dbraw/zinc/82/31/91/401823191.db2.gz JHMFVXXMFYJPSC-QGZVFWFLSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H]1CCN(C(=O)C[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000130896601 401840481 /nfs/dbraw/zinc/84/04/81/401840481.db2.gz DURJPDXFNQBATC-AEFFLSMTSA-N 1 3 315.461 2.109 20 0 DEADHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)N(C)c2ccccc2)C1 ZINC000135126770 401927897 /nfs/dbraw/zinc/92/78/97/401927897.db2.gz FBWHHSXCUJTTOB-MRXNPFEDSA-N 1 3 303.450 2.313 20 0 DEADHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)N(C)c2ccccc2)C1 ZINC000135126770 401927901 /nfs/dbraw/zinc/92/79/01/401927901.db2.gz FBWHHSXCUJTTOB-MRXNPFEDSA-N 1 3 303.450 2.313 20 0 DEADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@@H](Cc1ccccc1)N(C)C ZINC000132898218 401876630 /nfs/dbraw/zinc/87/66/30/401876630.db2.gz GKEWMXVDONSXNL-PSBWJHGTSA-N 1 3 303.494 2.478 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@@H](Cc1ccccc1)N(C)C ZINC000132898218 401876632 /nfs/dbraw/zinc/87/66/32/401876632.db2.gz GKEWMXVDONSXNL-PSBWJHGTSA-N 1 3 303.494 2.478 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H](Cc1ccccc1)N(C)C ZINC000132898218 401876634 /nfs/dbraw/zinc/87/66/34/401876634.db2.gz GKEWMXVDONSXNL-PSBWJHGTSA-N 1 3 303.494 2.478 20 0 DEADHO C[N@H+](CCCc1nc(-c2cccs2)no1)C1CCNCC1 ZINC000036301348 401904565 /nfs/dbraw/zinc/90/45/65/401904565.db2.gz NAXIUVUILCRSFP-UHFFFAOYSA-N 1 3 306.435 2.415 20 0 DEADHO C[N@@H+](CCCc1nc(-c2cccs2)no1)C1CCNCC1 ZINC000036301348 401904568 /nfs/dbraw/zinc/90/45/68/401904568.db2.gz NAXIUVUILCRSFP-UHFFFAOYSA-N 1 3 306.435 2.415 20 0 DEADHO Cc1n[nH]c(C)c1CN1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000120615130 401996106 /nfs/dbraw/zinc/99/61/06/401996106.db2.gz AUNZMMDPQZEFNB-OKILXGFUSA-N 1 3 320.481 2.348 20 0 DEADHO Cc1n[nH]c(C)c1CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000120615130 401996109 /nfs/dbraw/zinc/99/61/09/401996109.db2.gz AUNZMMDPQZEFNB-OKILXGFUSA-N 1 3 320.481 2.348 20 0 DEADHO CC(C)C[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)N1CCOCC1 ZINC000121240215 402022747 /nfs/dbraw/zinc/02/27/47/402022747.db2.gz LNHYANPRGUNQJQ-XMTFNYHQSA-N 1 3 311.514 2.052 20 0 DEADHO CC(C)C[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)N1CCOCC1 ZINC000121240215 402022750 /nfs/dbraw/zinc/02/27/50/402022750.db2.gz LNHYANPRGUNQJQ-XMTFNYHQSA-N 1 3 311.514 2.052 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCN1CCc2ccccc2C1 ZINC000121740330 402051037 /nfs/dbraw/zinc/05/10/37/402051037.db2.gz BCFBHEDFUITFIP-JTDSTZFVSA-N 1 3 301.478 2.363 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCN1CCc2ccccc2C1 ZINC000121740330 402051040 /nfs/dbraw/zinc/05/10/40/402051040.db2.gz BCFBHEDFUITFIP-JTDSTZFVSA-N 1 3 301.478 2.363 20 0 DEADHO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000152212562 402082096 /nfs/dbraw/zinc/08/20/96/402082096.db2.gz ILHTWEIXBORPPS-PBHICJAKSA-N 1 3 303.450 2.256 20 0 DEADHO CCCN(C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000063761441 402115504 /nfs/dbraw/zinc/11/55/04/402115504.db2.gz KOFVSOUPKAOHEB-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CCN(CC)CC1 ZINC000066697626 402139965 /nfs/dbraw/zinc/13/99/65/402139965.db2.gz NEMYUZYWGZJGQD-QGZVFWFLSA-N 1 3 324.513 2.425 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CCN(CC)CC1 ZINC000066697626 402139967 /nfs/dbraw/zinc/13/99/67/402139967.db2.gz NEMYUZYWGZJGQD-QGZVFWFLSA-N 1 3 324.513 2.425 20 0 DEADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CN(C)C(C)C ZINC000066725647 402140516 /nfs/dbraw/zinc/14/05/16/402140516.db2.gz XMTJZTCDWYUGPA-UHFFFAOYSA-N 1 3 305.466 2.437 20 0 DEADHO CCc1ccc(CN2CCCC[C@H]2CNC(=O)CC[NH3+])s1 ZINC000566230311 292219636 /nfs/dbraw/zinc/21/96/36/292219636.db2.gz APBCRJSSBYPUSA-ZDUSSCGKSA-N 1 3 309.479 2.130 20 0 DEADHO CC[C@H](C)[C@@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000101998139 402160870 /nfs/dbraw/zinc/16/08/70/402160870.db2.gz YRCJTMZZEWQYDQ-LSDHHAIUSA-N 1 3 324.513 2.279 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(OC)cc2)CC1 ZINC000154312532 402205342 /nfs/dbraw/zinc/20/53/42/402205342.db2.gz MEYJEWUPKRUMIG-MRXNPFEDSA-N 1 3 305.466 2.373 20 0 DEADHO C[C@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)N(C)C1CC1 ZINC000105166782 402206619 /nfs/dbraw/zinc/20/66/19/402206619.db2.gz INBNBVXVJLAIGT-CYBMUJFWSA-N 1 3 310.486 2.031 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N(C)C ZINC000125011495 402208808 /nfs/dbraw/zinc/20/88/08/402208808.db2.gz JSCIICBNBUITSA-ZBFHGGJFSA-N 1 3 323.506 2.417 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N(C)C ZINC000125011495 402208810 /nfs/dbraw/zinc/20/88/10/402208810.db2.gz JSCIICBNBUITSA-ZBFHGGJFSA-N 1 3 323.506 2.417 20 0 DEADHO CC(C)(C)OC(=O)N1CCC[C@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000220788445 402303047 /nfs/dbraw/zinc/30/30/47/402303047.db2.gz NNDKCIYVWCSSRK-GJZGRUSLSA-N 1 3 323.481 2.460 20 0 DEADHO CC(C)(C)OC(=O)N1CCC[C@H](NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000220788445 402303049 /nfs/dbraw/zinc/30/30/49/402303049.db2.gz NNDKCIYVWCSSRK-GJZGRUSLSA-N 1 3 323.481 2.460 20 0 DEADHO O=C(CN1CCC2(CCCC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000158366745 402305227 /nfs/dbraw/zinc/30/52/27/402305227.db2.gz PZUWSOZLILPLFR-UHFFFAOYSA-N 1 3 319.493 2.386 20 0 DEADHO CC(C)(C)[C@H](N)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000236688809 402374372 /nfs/dbraw/zinc/37/43/72/402374372.db2.gz GKBHYACAXMHXKD-OAHLLOKOSA-N 1 3 323.506 2.450 20 0 DEADHO CC(C)(C)[C@H](N)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000236696152 402375134 /nfs/dbraw/zinc/37/51/34/402375134.db2.gz RGKIRHVMQBKTGN-HZPDHXFCSA-N 1 3 303.450 2.141 20 0 DEADHO CC(C)(C)[C@H](N)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000236696152 402375136 /nfs/dbraw/zinc/37/51/36/402375136.db2.gz RGKIRHVMQBKTGN-HZPDHXFCSA-N 1 3 303.450 2.141 20 0 DEADHO CCCC[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000236837062 402385125 /nfs/dbraw/zinc/38/51/25/402385125.db2.gz NDEWCBWWRWAGHW-OIISXLGYSA-N 1 3 303.450 2.283 20 0 DEADHO C[C@@H](CC(=O)N1CCN(C2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000237361957 402405947 /nfs/dbraw/zinc/40/59/47/402405947.db2.gz BDBXQCOHXIBLRJ-HOTGVXAUSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CNC2CC2)CC1 ZINC000237481172 402409418 /nfs/dbraw/zinc/40/94/18/402409418.db2.gz JOVJURIJNFHUDL-AWEZNQCLSA-N 1 3 301.434 2.080 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000237481586 402409640 /nfs/dbraw/zinc/40/96/40/402409640.db2.gz MJHAUPSWRPBGID-YJBOKZPZSA-N 1 3 315.461 2.470 20 0 DEADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CCCCN2)C1 ZINC000237517631 402410801 /nfs/dbraw/zinc/41/08/01/402410801.db2.gz KLBRRPFAYMILIU-YESZJQIVSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CCCCN2)C1 ZINC000237517631 402410805 /nfs/dbraw/zinc/41/08/05/402410805.db2.gz KLBRRPFAYMILIU-YESZJQIVSA-N 1 3 307.482 2.242 20 0 DEADHO COC(C[N@H+](C)CCC1CCN(c2ccncc2)CC1)OC ZINC000162211320 402413240 /nfs/dbraw/zinc/41/32/40/402413240.db2.gz ZFBIQWRXFNHMAI-UHFFFAOYSA-N 1 3 307.438 2.239 20 0 DEADHO COC(C[N@@H+](C)CCC1CCN(c2ccncc2)CC1)OC ZINC000162211320 402413243 /nfs/dbraw/zinc/41/32/43/402413243.db2.gz ZFBIQWRXFNHMAI-UHFFFAOYSA-N 1 3 307.438 2.239 20 0 DEADHO [NH3+]C[C@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000237889677 402424756 /nfs/dbraw/zinc/42/47/56/402424756.db2.gz QAJVOWKCDMJAFE-MRXNPFEDSA-N 1 3 301.434 2.093 20 0 DEADHO CC(C)N1CCC([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000162879040 402435471 /nfs/dbraw/zinc/43/54/71/402435471.db2.gz URAHQRNIEGXYBW-IAGOWNOFSA-N 1 3 311.514 2.338 20 0 DEADHO C[C@@H]([NH2+]Cc1ccc(CN(C)C)cc1)C1CCS(=O)(=O)CC1 ZINC000186945898 402472977 /nfs/dbraw/zinc/47/29/77/402472977.db2.gz SUNQLCFZZBQLHN-CQSZACIVSA-N 1 3 324.490 2.051 20 0 DEADHO Cc1ccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)c(OCCN(C)C)c1 ZINC000169088183 402499849 /nfs/dbraw/zinc/49/98/49/402499849.db2.gz IXIAIEHYQFKLIZ-LSDHHAIUSA-N 1 3 319.449 2.391 20 0 DEADHO NC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000178801528 402541452 /nfs/dbraw/zinc/54/14/52/402541452.db2.gz HNEMKGGALSPVHE-QZTJIDSGSA-N 1 3 315.461 2.110 20 0 DEADHO NC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000178801528 402541456 /nfs/dbraw/zinc/54/14/56/402541456.db2.gz HNEMKGGALSPVHE-QZTJIDSGSA-N 1 3 315.461 2.110 20 0 DEADHO C[NH+](C)CCCCCCCNC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000171053430 402552973 /nfs/dbraw/zinc/55/29/73/402552973.db2.gz VSZSTWFMNBVRDZ-KRWDZBQOSA-N 1 3 324.513 2.378 20 0 DEADHO CC[N@@H+]1CC[C@H](NCc2ccccc2OCCN(C)C)[C@@H](C)C1 ZINC000247185008 402559386 /nfs/dbraw/zinc/55/93/86/402559386.db2.gz ZKUPSKQGBAFUAE-WMZOPIPTSA-N 1 3 319.493 2.447 20 0 DEADHO CC[N@H+]1CC[C@H](NCc2ccccc2OCCN(C)C)[C@@H](C)C1 ZINC000247185008 402559388 /nfs/dbraw/zinc/55/93/88/402559388.db2.gz ZKUPSKQGBAFUAE-WMZOPIPTSA-N 1 3 319.493 2.447 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000246181124 402515983 /nfs/dbraw/zinc/51/59/83/402515983.db2.gz HFNPQJNUADDOFK-OAGGEKHMSA-N 1 3 324.513 2.231 20 0 DEADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2(N)CCCC2)C1 ZINC000178740651 402532962 /nfs/dbraw/zinc/53/29/62/402532962.db2.gz JDUPOUJHRXNZGF-HOTGVXAUSA-N 1 3 307.482 2.371 20 0 DEADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C2(N)CCCC2)C1 ZINC000178740651 402532964 /nfs/dbraw/zinc/53/29/64/402532964.db2.gz JDUPOUJHRXNZGF-HOTGVXAUSA-N 1 3 307.482 2.371 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1C=CCCC1 ZINC000246561553 402536460 /nfs/dbraw/zinc/53/64/60/402536460.db2.gz NJSFSZOCHBUMAK-IAGOWNOFSA-N 1 3 322.497 2.153 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1C=CCCC1 ZINC000246561553 402536462 /nfs/dbraw/zinc/53/64/62/402536462.db2.gz NJSFSZOCHBUMAK-IAGOWNOFSA-N 1 3 322.497 2.153 20 0 DEADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CCCCN1CC ZINC000190170684 402581332 /nfs/dbraw/zinc/58/13/32/402581332.db2.gz BHENQGPFELWXGN-QGZVFWFLSA-N 1 3 324.513 2.378 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000173893934 402717815 /nfs/dbraw/zinc/71/78/15/402717815.db2.gz AALIIYHAKNHBMK-DLBZAZTESA-N 1 3 324.513 2.282 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000173893934 402717816 /nfs/dbraw/zinc/71/78/16/402717816.db2.gz AALIIYHAKNHBMK-DLBZAZTESA-N 1 3 324.513 2.282 20 0 DEADHO CC(C)N1CCN(CCC[N@H+](C)CCOc2ccccc2)CC1 ZINC000191404914 402667274 /nfs/dbraw/zinc/66/72/74/402667274.db2.gz OZKGEUPFRHIFNE-UHFFFAOYSA-N 1 3 319.493 2.413 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+](C)CCOc2ccccc2)CC1 ZINC000191404914 402667277 /nfs/dbraw/zinc/66/72/77/402667277.db2.gz OZKGEUPFRHIFNE-UHFFFAOYSA-N 1 3 319.493 2.413 20 0 DEADHO COC[C@@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)C(C)C ZINC000182263398 402677087 /nfs/dbraw/zinc/67/70/87/402677087.db2.gz NEQAJSUSJWODQB-ZWKOTPCHSA-N 1 3 306.450 2.014 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000174287656 402735181 /nfs/dbraw/zinc/73/51/81/402735181.db2.gz TVHOADTZQSXIOR-INIZCTEOSA-N 1 3 312.502 2.279 20 0 DEADHO O=C(C1CCN(C2CC2)CC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000192582848 402738753 /nfs/dbraw/zinc/73/87/53/402738753.db2.gz FUYSENBTJWXUAB-KRWDZBQOSA-N 1 3 319.493 2.338 20 0 DEADHO CCC[C@](C)(N)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000263274442 402753420 /nfs/dbraw/zinc/75/34/20/402753420.db2.gz PXIBLIKQAITGGO-KRWDZBQOSA-N 1 3 320.437 2.033 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)CC[C@H](C)[NH3+])c1cccc(OC)c1 ZINC000193293342 402769761 /nfs/dbraw/zinc/76/97/61/402769761.db2.gz JQAGFNWXIOFFGY-YOEHRIQHSA-N 1 3 321.465 2.322 20 0 DEADHO COCC1(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CCCCC1 ZINC000423142172 292248173 /nfs/dbraw/zinc/24/81/73/292248173.db2.gz UKJICSTXNDZYPU-IXDOHACOSA-N 1 3 310.482 2.330 20 0 DEADHO CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H]2CCCN2C)CC1 ZINC000175451434 402807868 /nfs/dbraw/zinc/80/78/68/402807868.db2.gz RACLDHNHSHUKFJ-QGZVFWFLSA-N 1 3 324.513 2.138 20 0 DEADHO Cc1ccncc1[C@H](C)[NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000271459345 402873002 /nfs/dbraw/zinc/87/30/02/402873002.db2.gz FZENFPRFTZHYRR-BMGDILEWSA-N 1 3 303.450 2.418 20 0 DEADHO O[C@H](CNCCCc1c(F)cccc1Cl)C[NH+]1CCCC1 ZINC000278893968 402882959 /nfs/dbraw/zinc/88/29/59/402882959.db2.gz QEHZHZKIDMQLHS-CYBMUJFWSA-N 1 3 314.832 2.458 20 0 DEADHO CN(C)C/C=C/C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000265680699 402939728 /nfs/dbraw/zinc/93/97/28/402939728.db2.gz VSSFLHDYLVOOGP-AATRIKPKSA-N 1 3 301.434 2.381 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CN(CCCF)CC1(C)C)[NH+](CC)CC ZINC001422785736 1172861188 /nfs/dbraw/zinc/86/11/88/1172861188.db2.gz LHGCEPFCNJBOHH-HUUCEWRRSA-N 1 3 315.477 2.293 20 0 DEADHO COc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)CN2CCCC2)cc1C ZINC000273210047 402982718 /nfs/dbraw/zinc/98/27/18/402982718.db2.gz SVBOPGORMFLWFT-JKSUJKDBSA-N 1 3 306.450 2.419 20 0 DEADHO C[C@H](N[C@@H]1C=C[C@H](CO)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274823523 403091317 /nfs/dbraw/zinc/09/13/17/403091317.db2.gz BXTGGMMUGMMZCZ-DSLXNQLJSA-N 1 3 300.446 2.424 20 0 DEADHO C[C@H](N[C@@H]1C=C[C@H](CO)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274823523 403091319 /nfs/dbraw/zinc/09/13/19/403091319.db2.gz BXTGGMMUGMMZCZ-DSLXNQLJSA-N 1 3 300.446 2.424 20 0 DEADHO C[C@@H](NC1CC[NH+](C2CC2)CC1)c1ccc(NC(N)=O)cc1 ZINC000268776745 403112871 /nfs/dbraw/zinc/11/28/71/403112871.db2.gz VXTLKXBFJDWSFK-GFCCVEGCSA-N 1 3 302.422 2.455 20 0 DEADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2ccccn2)[C@@H](C)C1 ZINC000268721970 403109911 /nfs/dbraw/zinc/10/99/11/403109911.db2.gz OYHIWIRRBFBITL-FUHWJXTLSA-N 1 3 305.466 2.351 20 0 DEADHO CCOCCC[N@H+]1CC[C@@H](NCCc2ccccn2)[C@@H](C)C1 ZINC000268721970 403109912 /nfs/dbraw/zinc/10/99/12/403109912.db2.gz OYHIWIRRBFBITL-FUHWJXTLSA-N 1 3 305.466 2.351 20 0 DEADHO COc1ccc(CCN[C@H](C)C2C[NH2+]C2)cc1OC(F)F ZINC000422878893 286301020 /nfs/dbraw/zinc/30/10/20/286301020.db2.gz LEIOQVJCGZIUKE-SNVBAGLBSA-N 1 3 300.349 2.037 20 0 DEADHO COc1ccc(CC[NH2+][C@H](C)C2CNC2)cc1OC(F)F ZINC000422878893 286301024 /nfs/dbraw/zinc/30/10/24/286301024.db2.gz LEIOQVJCGZIUKE-SNVBAGLBSA-N 1 3 300.349 2.037 20 0 DEADHO C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000268988880 403122310 /nfs/dbraw/zinc/12/23/10/403122310.db2.gz MBYCPDHQPAMNAY-GUYCJALGSA-N 1 3 306.425 2.495 20 0 DEADHO Cc1ccncc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000269596148 403149717 /nfs/dbraw/zinc/14/97/17/403149717.db2.gz JPMRMVLIRFXVLM-UHFFFAOYSA-N 1 3 303.450 2.467 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000277451396 403219212 /nfs/dbraw/zinc/21/92/12/403219212.db2.gz GNJIFMSXRLSNCE-YJBOKZPZSA-N 1 3 315.461 2.155 20 0 DEADHO CN(C)CCN1CCC([NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000283919588 403232253 /nfs/dbraw/zinc/23/22/53/403232253.db2.gz DPBCURIEWNEBSQ-SFHVURJKSA-N 1 3 317.477 2.385 20 0 DEADHO COC1(CCN2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CCC1 ZINC000338946224 403292815 /nfs/dbraw/zinc/29/28/15/403292815.db2.gz VPCLELJHGDTJNC-ROUUACIJSA-N 1 3 323.525 2.436 20 0 DEADHO C[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)c1cn[nH]c1 ZINC000284199529 403253142 /nfs/dbraw/zinc/25/31/42/403253142.db2.gz SASKCHCCWTXLLV-CQSZACIVSA-N 1 3 302.422 2.243 20 0 DEADHO Cn1cc2c(n1)CCC[C@@H]2[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298072859 403314895 /nfs/dbraw/zinc/31/48/95/403314895.db2.gz LEWZMFCVGIJUDK-KRWDZBQOSA-N 1 3 311.433 2.451 20 0 DEADHO C[C@H]([NH2+]CCCN1CCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000285567464 403329085 /nfs/dbraw/zinc/32/90/85/403329085.db2.gz HRQRQNZSRUPHHH-ZDUSSCGKSA-N 1 3 303.406 2.154 20 0 DEADHO CN(C)CCNC(=O)C1CC[NH+]([C@H]2C=CCCCCC2)CC1 ZINC000339033919 403329875 /nfs/dbraw/zinc/32/98/75/403329875.db2.gz PCDKPOGHRHEJKX-KRWDZBQOSA-N 1 3 307.482 2.265 20 0 DEADHO COc1ccc([C@H]([NH2+]C[C@@H](O)CN2CCCC2)C2CC2)cc1 ZINC000298213418 403332486 /nfs/dbraw/zinc/33/24/86/403332486.db2.gz MMMLMIKGPYYUCQ-SJLPKXTDSA-N 1 3 304.434 2.193 20 0 DEADHO Cc1nccn1C[C@@H](C)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298500923 403397518 /nfs/dbraw/zinc/39/75/18/403397518.db2.gz QKVINXRHHMGFOO-HNNXBMFYSA-N 1 3 313.449 2.481 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)CCCN1C ZINC000345765115 403475720 /nfs/dbraw/zinc/47/57/20/403475720.db2.gz YRXQFVHCNKURSL-WBVHZDCISA-N 1 3 324.513 2.233 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H]([NH3+])CC(F)F)c1ccsc1 ZINC000345767985 403476305 /nfs/dbraw/zinc/47/63/05/403476305.db2.gz WLOGRLFHQMXFCO-VXGBXAGGSA-N 1 3 319.421 2.230 20 0 DEADHO CN(C)CC[C@@H]([NH2+]Cc1ccc2c(c1)NC(=O)CO2)C(C)(C)C ZINC000293503468 403489517 /nfs/dbraw/zinc/48/95/17/403489517.db2.gz BQQUMMPUAJBSHU-MRXNPFEDSA-N 1 3 319.449 2.474 20 0 DEADHO CN(CCCNC(=O)C[C@H]1CCC[C@H]1[NH3+])Cc1ccccc1 ZINC000340114023 403552245 /nfs/dbraw/zinc/55/22/45/403552245.db2.gz ZZTCJPUCTBMGQX-IAGOWNOFSA-N 1 3 303.450 2.142 20 0 DEADHO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H]2CCCN2C)CC1 ZINC000339936174 403498192 /nfs/dbraw/zinc/49/81/92/403498192.db2.gz ADUAAMSVOGOSFJ-QGZVFWFLSA-N 1 3 324.513 2.234 20 0 DEADHO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H]2CCCN2C)CC1 ZINC000339936174 403498198 /nfs/dbraw/zinc/49/81/98/403498198.db2.gz ADUAAMSVOGOSFJ-QGZVFWFLSA-N 1 3 324.513 2.234 20 0 DEADHO C[NH+](C)CC1CCN(CCOCC(F)(F)C(F)(F)F)CC1 ZINC000345869709 403516200 /nfs/dbraw/zinc/51/62/00/403516200.db2.gz WJQMRAUEWFMMKW-UHFFFAOYSA-N 1 3 318.330 2.474 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1cccc(N2CCOCC2)c1 ZINC000293605778 403516517 /nfs/dbraw/zinc/51/65/17/403516517.db2.gz DSXLIQPWCNQTHQ-JTDSTZFVSA-N 1 3 317.477 2.342 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1cccc(N2CCOCC2)c1 ZINC000293605778 403516523 /nfs/dbraw/zinc/51/65/23/403516523.db2.gz DSXLIQPWCNQTHQ-JTDSTZFVSA-N 1 3 317.477 2.342 20 0 DEADHO C[C@H]([NH2+]CC(C)(C)OCCO)c1cccc(OCCN(C)C)c1 ZINC000287381783 403587486 /nfs/dbraw/zinc/58/74/86/403587486.db2.gz PKMQOKKZJITYEL-HNNXBMFYSA-N 1 3 324.465 2.065 20 0 DEADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H](C)CN(C)C)cc1 ZINC000293879638 403589597 /nfs/dbraw/zinc/58/95/97/403589597.db2.gz YQAMRZMCKJWHLJ-UONOGXRCSA-N 1 3 307.438 2.200 20 0 DEADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@H](C)C[NH+](C)C)cc1 ZINC000293879638 403589602 /nfs/dbraw/zinc/58/96/02/403589602.db2.gz YQAMRZMCKJWHLJ-UONOGXRCSA-N 1 3 307.438 2.200 20 0 DEADHO Cn1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(-c2ccncc2)n1 ZINC000346857555 403605481 /nfs/dbraw/zinc/60/54/81/403605481.db2.gz WYCQHSIYYZGACW-UAGQMJEPSA-N 1 3 311.433 2.041 20 0 DEADHO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000300219925 403582450 /nfs/dbraw/zinc/58/24/50/403582450.db2.gz ZVRPWZWEQLAXEW-ZVDSWSACSA-N 1 3 321.465 2.068 20 0 DEADHO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000300219925 403582452 /nfs/dbraw/zinc/58/24/52/403582452.db2.gz ZVRPWZWEQLAXEW-ZVDSWSACSA-N 1 3 321.465 2.068 20 0 DEADHO COc1ccc([C@@H](NCC2=CCN(C)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423018450 286359153 /nfs/dbraw/zinc/35/91/53/286359153.db2.gz QXQJGMNEERHBSP-RTBURBONSA-N 1 3 315.461 2.340 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CC1CCCC1 ZINC001422838297 1172881791 /nfs/dbraw/zinc/88/17/91/1172881791.db2.gz SJJCGHOGVNDKOX-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CC1CCCC1 ZINC001422838297 1172881792 /nfs/dbraw/zinc/88/17/92/1172881792.db2.gz SJJCGHOGVNDKOX-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CC[NH2+]CC1CCN(Cc2ccc(OCC(=O)OC)cc2)CC1 ZINC000347202154 403621705 /nfs/dbraw/zinc/62/17/05/403621705.db2.gz KBEWQKJRXOZHDU-UHFFFAOYSA-N 1 3 320.433 2.060 20 0 DEADHO Cc1cc(N2CCC([NH2+][C@@H](C)[C@H]3CCCCN3)CC2)nc(C)n1 ZINC000333254917 403708158 /nfs/dbraw/zinc/70/81/58/403708158.db2.gz HRCHBHUATFRKKZ-WMLDXEAASA-N 1 3 317.481 2.182 20 0 DEADHO Cc1cc(N2CCC(N[C@@H](C)[C@H]3CCCC[NH2+]3)CC2)nc(C)n1 ZINC000333254917 403708162 /nfs/dbraw/zinc/70/81/62/403708162.db2.gz HRCHBHUATFRKKZ-WMLDXEAASA-N 1 3 317.481 2.182 20 0 DEADHO CC(C)c1nnc2n1C[C@H](N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)CC2 ZINC000333257564 403709209 /nfs/dbraw/zinc/70/92/09/403709209.db2.gz IGZWBYZQRRLRSA-LVQVYYBASA-N 1 3 317.481 2.227 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)NCC2([NH+](C)C)CCCCC2)CCN1C ZINC000340899015 403690142 /nfs/dbraw/zinc/69/01/42/403690142.db2.gz KGIJXXMAKURFGE-GJZGRUSLSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1[C@H](NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCCN1C ZINC000343861634 403763936 /nfs/dbraw/zinc/76/39/36/403763936.db2.gz GRTILKZATJPDSD-HYVNUMGLSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H]1[C@H](NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCCN1C ZINC000343861634 403763939 /nfs/dbraw/zinc/76/39/39/403763939.db2.gz GRTILKZATJPDSD-HYVNUMGLSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@]1(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)CCCCN1 ZINC000333512134 403770105 /nfs/dbraw/zinc/77/01/05/403770105.db2.gz FPARARFGERHIQQ-HNNXBMFYSA-N 1 3 308.451 2.081 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)CNC2 ZINC000347496984 403731025 /nfs/dbraw/zinc/73/10/25/403731025.db2.gz HYROFRCSZCNGSC-KRWDZBQOSA-N 1 3 301.434 2.140 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)CNC2 ZINC000347496984 403731028 /nfs/dbraw/zinc/73/10/28/403731028.db2.gz HYROFRCSZCNGSC-KRWDZBQOSA-N 1 3 301.434 2.140 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc2c(c1)CNC2 ZINC000347505552 403733472 /nfs/dbraw/zinc/73/34/72/403733472.db2.gz QVBYDSZONJSQTR-KGLIPLIRSA-N 1 3 301.434 2.140 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc2c(c1)CNC2 ZINC000347505552 403733478 /nfs/dbraw/zinc/73/34/78/403733478.db2.gz QVBYDSZONJSQTR-KGLIPLIRSA-N 1 3 301.434 2.140 20 0 DEADHO FC(F)C1CCC(NCc2nnc(C3CC[NH2+]CC3)[nH]2)CC1 ZINC000333357782 403733896 /nfs/dbraw/zinc/73/38/96/403733896.db2.gz CKBQCXBRMQSKOJ-UHFFFAOYSA-N 1 3 313.396 2.185 20 0 DEADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343790961 403735120 /nfs/dbraw/zinc/73/51/20/403735120.db2.gz IVDIZJLACIRJRW-QKPAOTATSA-N 1 3 310.486 2.031 20 0 DEADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343790961 403735122 /nfs/dbraw/zinc/73/51/22/403735122.db2.gz IVDIZJLACIRJRW-QKPAOTATSA-N 1 3 310.486 2.031 20 0 DEADHO C[C@H]([NH2+]C1CC1)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000294909692 403737926 /nfs/dbraw/zinc/73/79/26/403737926.db2.gz CAAOQKPOIQHCDG-MAUKXSAKSA-N 1 3 315.461 2.298 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N[C@@H]1CCCN(C)[C@@H]1C)C(C)C ZINC000343850079 403758253 /nfs/dbraw/zinc/75/82/53/403758253.db2.gz KEGKXEAHVVYCCF-HZPDHXFCSA-N 1 3 312.502 2.277 20 0 DEADHO C[C@H]1C[C@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)CCN1C ZINC000341209954 403835959 /nfs/dbraw/zinc/83/59/59/403835959.db2.gz VMFOIFDBWBNXCZ-JKSUJKDBSA-N 1 3 322.497 2.129 20 0 DEADHO CSC[C@@H](CCO)NC1CC[NH+](C2CCCCC2)CC1 ZINC000305105988 403834329 /nfs/dbraw/zinc/83/43/29/403834329.db2.gz BJUVNMAPAUBWCS-OAHLLOKOSA-N 1 3 300.512 2.487 20 0 DEADHO CSC[C@@H](CCO)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000305105988 403834336 /nfs/dbraw/zinc/83/43/36/403834336.db2.gz BJUVNMAPAUBWCS-OAHLLOKOSA-N 1 3 300.512 2.487 20 0 DEADHO C[C@H]1CC2(CN1Cc1cc(-c3cnn(C)c3)no1)CC[NH2+]CC2 ZINC000333634826 403798275 /nfs/dbraw/zinc/79/82/75/403798275.db2.gz WIGYIZNCLYPMOP-ZDUSSCGKSA-N 1 3 315.421 2.039 20 0 DEADHO C[C@@H](CNC(=O)c1ccc2c(c1)CNC2)[N@@H+]1CCCC[C@H]1C ZINC000347672988 403799556 /nfs/dbraw/zinc/79/95/56/403799556.db2.gz PZIJKHQHRAEYIM-KGLIPLIRSA-N 1 3 301.434 2.283 20 0 DEADHO C[C@@H](CNC(=O)c1ccc2c(c1)CNC2)[N@H+]1CCCC[C@H]1C ZINC000347672988 403799561 /nfs/dbraw/zinc/79/95/61/403799561.db2.gz PZIJKHQHRAEYIM-KGLIPLIRSA-N 1 3 301.434 2.283 20 0 DEADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]CC1(N(C)C)Cc2ccccc2C1 ZINC000361763502 403850282 /nfs/dbraw/zinc/85/02/82/403850282.db2.gz FAXCCTWZSWDKDD-QAPCUYQASA-N 1 3 301.478 2.015 20 0 DEADHO C[N@@H+]1CC[C@H](CNC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000411557464 403894150 /nfs/dbraw/zinc/89/41/50/403894150.db2.gz ZJBGLBFQSPLBBR-QGZVFWFLSA-N 1 3 315.461 2.354 20 0 DEADHO C[N@H+]1CC[C@H](CNC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000411557464 403894156 /nfs/dbraw/zinc/89/41/56/403894156.db2.gz ZJBGLBFQSPLBBR-QGZVFWFLSA-N 1 3 315.461 2.354 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000341324046 403909135 /nfs/dbraw/zinc/90/91/35/403909135.db2.gz MWAXMZFIKBMOAK-PBHICJAKSA-N 1 3 322.497 2.033 20 0 DEADHO CCN1CCC(NC(=O)C[N@H+](CC)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000411606315 403910480 /nfs/dbraw/zinc/91/04/80/403910480.db2.gz BCXQHKVYZHRFDK-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO CCN1CCC(NC(=O)C[N@@H+](CC)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000411606315 403910484 /nfs/dbraw/zinc/91/04/84/403910484.db2.gz BCXQHKVYZHRFDK-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N1CCCN(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000341489150 403996047 /nfs/dbraw/zinc/99/60/47/403996047.db2.gz CTNSJARSGZATCC-DLBZAZTESA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)N1CCCN(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000341489150 403996057 /nfs/dbraw/zinc/99/60/57/403996057.db2.gz CTNSJARSGZATCC-DLBZAZTESA-N 1 3 324.513 2.233 20 0 DEADHO Cn1cc([C@@H](O)C[C@H]2CCCN2CC[C@H]2CCCC[N@@H+]2C)cn1 ZINC000369255733 404023432 /nfs/dbraw/zinc/02/34/32/404023432.db2.gz WQMKSZLLEPZTQH-KURKYZTESA-N 1 3 320.481 2.182 20 0 DEADHO Cn1cc([C@@H](O)C[C@H]2CCCN2CC[C@H]2CCCC[N@H+]2C)cn1 ZINC000369255733 404023434 /nfs/dbraw/zinc/02/34/34/404023434.db2.gz WQMKSZLLEPZTQH-KURKYZTESA-N 1 3 320.481 2.182 20 0 DEADHO CN1CC=C(C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)CC1 ZINC000344291781 404035929 /nfs/dbraw/zinc/03/59/29/404035929.db2.gz DUYIUFYSMRHWNE-UHFFFAOYSA-N 1 3 307.482 2.265 20 0 DEADHO NCc1cc(NC(=O)C[C@@H]2CC[NH2+]C2)cc(C(F)(F)F)c1 ZINC000362587818 403970173 /nfs/dbraw/zinc/97/01/73/403970173.db2.gz JQSLSMYCBUCKAP-VIFPVBQESA-N 1 3 301.312 2.102 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H](C(C)(C)C)C2)CC1 ZINC000344208967 403978527 /nfs/dbraw/zinc/97/85/27/403978527.db2.gz KPKWQQSNAMLDSV-OAHLLOKOSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCN(C3CC3)C2)c(C)c1 ZINC000321072848 404073873 /nfs/dbraw/zinc/07/38/73/404073873.db2.gz PZBWASUTXNQJAR-FUHWJXTLSA-N 1 3 318.461 2.117 20 0 DEADHO Cc1ccc(OC[C@H](O)CNC[C@@H]2CC[N@@H+](C3CC3)C2)c(C)c1 ZINC000321072848 404073884 /nfs/dbraw/zinc/07/38/84/404073884.db2.gz PZBWASUTXNQJAR-FUHWJXTLSA-N 1 3 318.461 2.117 20 0 DEADHO Cc1ccc(OC[C@H](O)CNC[C@@H]2CC[N@H+](C3CC3)C2)c(C)c1 ZINC000321072848 404073893 /nfs/dbraw/zinc/07/38/93/404073893.db2.gz PZBWASUTXNQJAR-FUHWJXTLSA-N 1 3 318.461 2.117 20 0 DEADHO COc1cc([C@@H](C)[NH2+]CC[C@H]2CCCN2C)ccc1OCCO ZINC000341586190 404051232 /nfs/dbraw/zinc/05/12/32/404051232.db2.gz MZYYSKQSFSQINJ-GDBMZVCRSA-N 1 3 322.449 2.201 20 0 DEADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000290168045 404065916 /nfs/dbraw/zinc/06/59/16/404065916.db2.gz MNEYJEXBZUHCJW-BZSNNMDCSA-N 1 3 315.461 2.011 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000341617103 404072105 /nfs/dbraw/zinc/07/21/05/404072105.db2.gz QLDYCGCFCNLOFY-BMFZPTHFSA-N 1 3 324.513 2.135 20 0 DEADHO C[C@H](F)CCN1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000352007757 404072880 /nfs/dbraw/zinc/07/28/80/404072880.db2.gz YVFYCMDSFWYENX-KRWDZBQOSA-N 1 3 307.457 2.484 20 0 DEADHO C[C@H](F)CCN1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000352007757 404072882 /nfs/dbraw/zinc/07/28/82/404072882.db2.gz YVFYCMDSFWYENX-KRWDZBQOSA-N 1 3 307.457 2.484 20 0 DEADHO C[C@@H](C[N@H+](C)CC1CC(C)(C)C1)NC(=O)CN1CC[C@H](C)C1 ZINC001422876599 1172892854 /nfs/dbraw/zinc/89/28/54/1172892854.db2.gz LWXGUIXGFVKFHH-GJZGRUSLSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H](C[N@@H+](C)CC1CC(C)(C)C1)NC(=O)CN1CC[C@H](C)C1 ZINC001422876599 1172892858 /nfs/dbraw/zinc/89/28/58/1172892858.db2.gz LWXGUIXGFVKFHH-GJZGRUSLSA-N 1 3 309.498 2.201 20 0 DEADHO CCOc1cccc(CNCC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000344629423 404273544 /nfs/dbraw/zinc/27/35/44/404273544.db2.gz JRCXSWIUIHCKFT-UHFFFAOYSA-N 1 3 306.450 2.410 20 0 DEADHO CC(C)[C@H](C(=O)NCC[N@H+](C)C1CCCC1)N1CCCCC1 ZINC000355203212 404279252 /nfs/dbraw/zinc/27/92/52/404279252.db2.gz XCGHZTPYSUZIKW-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@H](C(=O)NCC[N@@H+](C)C1CCCC1)N1CCCCC1 ZINC000355203212 404279263 /nfs/dbraw/zinc/27/92/63/404279263.db2.gz XCGHZTPYSUZIKW-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000355412332 404331524 /nfs/dbraw/zinc/33/15/24/404331524.db2.gz PKMFWLPKQLOUJR-IYBDPMFKSA-N 1 3 307.482 2.336 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000344722809 404331713 /nfs/dbraw/zinc/33/17/13/404331713.db2.gz LSUGYLPUSINDMF-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000344722809 404331717 /nfs/dbraw/zinc/33/17/17/404331717.db2.gz LSUGYLPUSINDMF-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1ccc(OC)c(O)c1 ZINC000290854794 404338206 /nfs/dbraw/zinc/33/82/06/404338206.db2.gz ZUFJFDPDBKJIRA-UKRRQHHQSA-N 1 3 310.438 2.408 20 0 DEADHO CC[NH+](CC)CCO[C@@H]1CCN(CCOc2ccccc2)C1 ZINC000350198473 404345511 /nfs/dbraw/zinc/34/55/11/404345511.db2.gz AUMOESKZVKUBFA-GOSISDBHSA-N 1 3 306.450 2.498 20 0 DEADHO CCC(CC)[C@H](CNC(=O)N[C@H](C)CN(C)C)[NH+]1CCCC1 ZINC000350247467 404352801 /nfs/dbraw/zinc/35/28/01/404352801.db2.gz KRQXSTVFNSHFGH-ZBFHGGJFSA-N 1 3 312.502 2.136 20 0 DEADHO CCn1nccc1CCN1CCC(OCC[NH+](CC)CC)CC1 ZINC000338543739 404392500 /nfs/dbraw/zinc/39/25/00/404392500.db2.gz DCYHQBJMBWWBKR-UHFFFAOYSA-N 1 3 322.497 2.268 20 0 DEADHO C[C@H](c1ccccc1)[C@@H](O)CNCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000567464998 292315538 /nfs/dbraw/zinc/31/55/38/292315538.db2.gz GUGZOJMYQWLAEL-LMMKCTJWSA-N 1 3 320.477 2.242 20 0 DEADHO C[C@H](c1ccccc1)[C@@H](O)CNCCC[N@H+]1CCCO[C@H](C)C1 ZINC000567464998 292315539 /nfs/dbraw/zinc/31/55/39/292315539.db2.gz GUGZOJMYQWLAEL-LMMKCTJWSA-N 1 3 320.477 2.242 20 0 DEADHO COC(=O)[C@@H](C)Oc1ccc(CN2CCCC[C@@H]2CC[NH3+])cc1 ZINC000352525404 404435718 /nfs/dbraw/zinc/43/57/18/404435718.db2.gz GIIGOTPFOVZNMM-GDBMZVCRSA-N 1 3 320.433 2.330 20 0 DEADHO C[C@H]1CCC[N@H+](CCCCNCc2cnc(N(C)C)n2C)C1 ZINC000414290479 404566530 /nfs/dbraw/zinc/56/65/30/404566530.db2.gz SQKKAOPHMDAMSM-HNNXBMFYSA-N 1 3 307.486 2.088 20 0 DEADHO C[C@H]1CCC[N@@H+](CCCCNCc2cnc(N(C)C)n2C)C1 ZINC000414290479 404566539 /nfs/dbraw/zinc/56/65/39/404566539.db2.gz SQKKAOPHMDAMSM-HNNXBMFYSA-N 1 3 307.486 2.088 20 0 DEADHO O=C(CC[C@H]1CCC[NH2+]1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000292067012 404653520 /nfs/dbraw/zinc/65/35/20/404653520.db2.gz KSXUEDCRDSGFIA-MSOLQXFVSA-N 1 3 315.461 2.299 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414491335 404653637 /nfs/dbraw/zinc/65/36/37/404653637.db2.gz YRPSJPMGEAFJME-QGZVFWFLSA-N 1 3 311.514 2.055 20 0 DEADHO CCc1ccc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)cn1 ZINC000352781334 404616963 /nfs/dbraw/zinc/61/69/63/404616963.db2.gz YZVJPQHYGOVMBM-ZWKOTPCHSA-N 1 3 303.450 2.111 20 0 DEADHO CC(C)N(C)CCC[NH2+][C@H](C)Cn1cc(Br)cn1 ZINC000345226889 404625433 /nfs/dbraw/zinc/62/54/33/404625433.db2.gz FRLFTLLZCVXAEM-GFCCVEGCSA-N 1 3 317.275 2.354 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)NCC1([NH3+])CCC1 ZINC000342605745 404675405 /nfs/dbraw/zinc/67/54/05/404675405.db2.gz KVGHFEQFNNWAIQ-UHFFFAOYSA-N 1 3 301.390 2.106 20 0 DEADHO [NH3+]C1(CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CCC1 ZINC000342616279 404679929 /nfs/dbraw/zinc/67/99/29/404679929.db2.gz HPWQYMUPFJRLJU-OAHLLOKOSA-N 1 3 319.424 2.035 20 0 DEADHO CN(C[C@H](O)CN(C)C(C)(C)C[NH+]1CCCCCC1)C1CC1 ZINC000351610202 404669787 /nfs/dbraw/zinc/66/97/87/404669787.db2.gz NMMNSUMALUEVRU-KRWDZBQOSA-N 1 3 311.514 2.028 20 0 DEADHO FC(F)(F)Cn1cc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000414772034 404729610 /nfs/dbraw/zinc/72/96/10/404729610.db2.gz BCTXKTCHENTTAX-UONOGXRCSA-N 1 3 316.371 2.267 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)CCN(C)C1CC1 ZINC000353059269 404733692 /nfs/dbraw/zinc/73/36/92/404733692.db2.gz VRFRQPSVCMQJSV-QGZVFWFLSA-N 1 3 324.513 2.377 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)CCN(C)C1CC1 ZINC000353059269 404733693 /nfs/dbraw/zinc/73/36/93/404733693.db2.gz VRFRQPSVCMQJSV-QGZVFWFLSA-N 1 3 324.513 2.377 20 0 DEADHO COc1ccc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1C ZINC000414788696 404736085 /nfs/dbraw/zinc/73/60/85/404736085.db2.gz NGYUTGNGTOWCID-INIZCTEOSA-N 1 3 304.434 2.191 20 0 DEADHO COc1c(C)cc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1C ZINC000414795393 404737548 /nfs/dbraw/zinc/73/75/48/404737548.db2.gz WKUFWHYUZYDXMO-KRWDZBQOSA-N 1 3 318.461 2.499 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000365876492 404738002 /nfs/dbraw/zinc/73/80/02/404738002.db2.gz IXYLNNVSOBVKPG-WMZOPIPTSA-N 1 3 315.461 2.305 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000365876492 404738005 /nfs/dbraw/zinc/73/80/05/404738005.db2.gz IXYLNNVSOBVKPG-WMZOPIPTSA-N 1 3 315.461 2.305 20 0 DEADHO CCCC[C@H](N)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000353090745 404740551 /nfs/dbraw/zinc/74/05/51/404740551.db2.gz UEENPWBTYYWULV-KRWDZBQOSA-N 1 3 303.450 2.416 20 0 DEADHO NC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000414813650 404740671 /nfs/dbraw/zinc/74/06/71/404740671.db2.gz YOGWLFMXYYFQMR-HKUYNNGSSA-N 1 3 301.478 2.411 20 0 DEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](C)CN(C)C)C1 ZINC000353105890 404743875 /nfs/dbraw/zinc/74/38/75/404743875.db2.gz AGNOSVLYUIINSW-HUUCEWRRSA-N 1 3 312.502 2.136 20 0 DEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](C)CN(C)C)C1 ZINC000353105890 404743878 /nfs/dbraw/zinc/74/38/78/404743878.db2.gz AGNOSVLYUIINSW-HUUCEWRRSA-N 1 3 312.502 2.136 20 0 DEADHO Cc1ccc(C)c([C@@H](C)[N@H+](C)C[C@H]2CCCN(C(=O)CN)C2)c1 ZINC000414709450 404713095 /nfs/dbraw/zinc/71/30/95/404713095.db2.gz RFHQOAVFGIMKFG-IAGOWNOFSA-N 1 3 317.477 2.494 20 0 DEADHO Cc1ccc(C)c([C@@H](C)[N@@H+](C)C[C@H]2CCCN(C(=O)CN)C2)c1 ZINC000414709450 404713099 /nfs/dbraw/zinc/71/30/99/404713099.db2.gz RFHQOAVFGIMKFG-IAGOWNOFSA-N 1 3 317.477 2.494 20 0 DEADHO C[C@H]1C[C@H]([NH2+]C2CCN(CCc3ccccc3)CC2)CCN1 ZINC000414957725 404776351 /nfs/dbraw/zinc/77/63/51/404776351.db2.gz WJTDXMYGZFIWQH-QFBILLFUSA-N 1 3 301.478 2.424 20 0 DEADHO O=C1CC[C@@H](NCc2cccc(Cl)c2)[C@H](C2CC[NH2+]CC2)N1 ZINC000414990532 404782185 /nfs/dbraw/zinc/78/21/85/404782185.db2.gz PKENNNBZIMTYEP-WBVHZDCISA-N 1 3 321.852 2.076 20 0 DEADHO C[C@@H](CC(=O)NCCc1ccccc1)N[C@@H](C[NH3+])C1CCCC1 ZINC000415073502 404801189 /nfs/dbraw/zinc/80/11/89/404801189.db2.gz ZIXWBGPCCRIHIS-YJBOKZPZSA-N 1 3 317.477 2.231 20 0 DEADHO CC1CCN(C[C@@H](O)C[NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000353332235 404805405 /nfs/dbraw/zinc/80/54/05/404805405.db2.gz PFTKUKAGSYSNSC-FUHWJXTLSA-N 1 3 306.425 2.495 20 0 DEADHO COC(=O)c1cccc2c1CCN(C[C@H]1CC[NH2+][C@H](C)C1)C2 ZINC000415099349 404807207 /nfs/dbraw/zinc/80/72/07/404807207.db2.gz XYGSHFDCWDUIOK-KGLIPLIRSA-N 1 3 302.418 2.219 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000415104297 404807985 /nfs/dbraw/zinc/80/79/85/404807985.db2.gz LAOUQKDUDPYEDP-DZGCQCFKSA-N 1 3 319.474 2.010 20 0 DEADHO CC[C@](CN[C@@H]1CCC[NH2+]CC1)(C(=O)OC)c1ccccc1 ZINC000415132150 404814670 /nfs/dbraw/zinc/81/46/70/404814670.db2.gz AIHDUKFQOGMAID-SJLPKXTDSA-N 1 3 304.434 2.239 20 0 DEADHO CC[C@@](CNC[C@@]1(C)CC[NH2+]C1)(C(=O)OC)c1ccccc1 ZINC000415132086 404814987 /nfs/dbraw/zinc/81/49/87/404814987.db2.gz ACRZZSXPLLRKJY-ROUUACIJSA-N 1 3 304.434 2.097 20 0 DEADHO [NH3+]C1(CNCc2ccncc2)CCN(Cc2ccccc2)CC1 ZINC000415133239 404815802 /nfs/dbraw/zinc/81/58/02/404815802.db2.gz MTTRAQURQZYWGV-UHFFFAOYSA-N 1 3 310.445 2.165 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(OC)c(O)c2)CC1 ZINC000353381442 404818494 /nfs/dbraw/zinc/81/84/94/404818494.db2.gz FGMGWGMPYOFYGG-LSDHHAIUSA-N 1 3 321.465 2.077 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)N1CCCCC1 ZINC000353388830 404819887 /nfs/dbraw/zinc/81/98/87/404819887.db2.gz QBFBEPVEUAQAAA-MSOLQXFVSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)C(N)C(F)(F)F)c1ccccc1 ZINC000353441091 404832319 /nfs/dbraw/zinc/83/23/19/404832319.db2.gz DYYHYYVPDQRDLV-PWSUYJOCSA-N 1 3 317.355 2.122 20 0 DEADHO C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1ccc2c(c1)OCC(=O)N2 ZINC000353443712 404832341 /nfs/dbraw/zinc/83/23/41/404832341.db2.gz SRKBUSCMYLNUIT-GFCCVEGCSA-N 1 3 305.422 2.256 20 0 DEADHO COC[C@@]1(CNC2CCN(Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000414948784 404773547 /nfs/dbraw/zinc/77/35/47/404773547.db2.gz XZQZVBMLVZPQDR-IBGZPJMESA-N 1 3 317.477 2.009 20 0 DEADHO C[C@@H]1CCN(C(=O)Nc2ccccc2CCN(C)C)[C@H](C[NH3+])C1 ZINC000415554050 404881862 /nfs/dbraw/zinc/88/18/62/404881862.db2.gz AXTQTWSXRQIZKU-ZBFHGGJFSA-N 1 3 318.465 2.382 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000361036960 404888570 /nfs/dbraw/zinc/88/85/70/404888570.db2.gz MGMDUVYEDBYKQL-GOSISDBHSA-N 1 3 317.477 2.355 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000361036960 404888575 /nfs/dbraw/zinc/88/85/75/404888575.db2.gz MGMDUVYEDBYKQL-GOSISDBHSA-N 1 3 317.477 2.355 20 0 DEADHO CC[NH+]1CCC(Nc2cccc(CN3CC[C@H](O)C3)c2)CC1 ZINC000361052930 404895004 /nfs/dbraw/zinc/89/50/04/404895004.db2.gz PMPOEORCHKTKGZ-SFHVURJKSA-N 1 3 303.450 2.149 20 0 DEADHO COC[C@H](C)NC(=[NH2+])NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000366819649 404852741 /nfs/dbraw/zinc/85/27/41/404852741.db2.gz NHZUOFJOPZSVEJ-MAUKXSAKSA-N 1 3 318.465 2.047 20 0 DEADHO CC1CC[NH+](CCc2cccc(NC(=O)C3(N)CC3)c2)CC1 ZINC000353745074 404952945 /nfs/dbraw/zinc/95/29/45/404952945.db2.gz JXKKQAUISHRVKY-UHFFFAOYSA-N 1 3 301.434 2.391 20 0 DEADHO C[C@H](C(=O)Nc1cnc2c(c1)CNCC2)[C@@H]([NH3+])c1ccccc1 ZINC000378404259 404955667 /nfs/dbraw/zinc/95/56/67/404955667.db2.gz OVEQJTAIZUKXJX-YVEFUNNKSA-N 1 3 310.401 2.002 20 0 DEADHO C[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000415906369 404967295 /nfs/dbraw/zinc/96/72/95/404967295.db2.gz XNOWSGJQAOYUAP-AWEZNQCLSA-N 1 3 304.438 2.402 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCCc3ccc(O)cc32)CC1 ZINC000361082926 404909046 /nfs/dbraw/zinc/90/90/46/404909046.db2.gz WUFLZQKZVUSXGL-KXBFYZLASA-N 1 3 317.477 2.385 20 0 DEADHO C[C@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C[C@H]1C[NH3+] ZINC000424010930 404970270 /nfs/dbraw/zinc/97/02/70/404970270.db2.gz IUXQVEBMSIPKKH-MAUKXSAKSA-N 1 3 315.461 2.339 20 0 DEADHO C[C@@H]1CCN(C(=O)NCC(C)(C)N2CCCCC2)[C@H](C[NH3+])C1 ZINC000416836323 404928964 /nfs/dbraw/zinc/92/89/64/404928964.db2.gz VAPNQKULQRQBDH-CABCVRRESA-N 1 3 310.486 2.020 20 0 DEADHO C[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCCCCC2)[C@H](C)CN1 ZINC000416848064 404934072 /nfs/dbraw/zinc/93/40/72/404934072.db2.gz KYPDXFGLYLOAPY-HUUCEWRRSA-N 1 3 310.486 2.033 20 0 DEADHO CC[NH2+]CCNC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000417013862 405002051 /nfs/dbraw/zinc/00/20/51/405002051.db2.gz YYYTYIUVUIHYRF-CQSZACIVSA-N 1 3 312.483 2.040 20 0 DEADHO C[C@H](CNC(=O)NC[C@H](N)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000417023255 405006878 /nfs/dbraw/zinc/00/68/78/405006878.db2.gz VVPXCRHLYIXXDN-INMHGKMJSA-N 1 3 318.465 2.106 20 0 DEADHO C[C@H](CNC(=O)NC[C@H](N)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000417023255 405006885 /nfs/dbraw/zinc/00/68/85/405006885.db2.gz VVPXCRHLYIXXDN-INMHGKMJSA-N 1 3 318.465 2.106 20 0 DEADHO Cc1cc(C)cc(OC[C@H](O)CN[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000388912056 405036882 /nfs/dbraw/zinc/03/68/82/405036882.db2.gz UNCULWDNJMRTQK-IXDOHACOSA-N 1 3 306.450 2.115 20 0 DEADHO Cc1cc(C)cc(OC[C@H](O)CN[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000388912056 405036887 /nfs/dbraw/zinc/03/68/87/405036887.db2.gz UNCULWDNJMRTQK-IXDOHACOSA-N 1 3 306.450 2.115 20 0 DEADHO CC[NH+](CC)CCOC1CCN(Cc2cn(C)nc2C)CC1 ZINC000354033223 405012979 /nfs/dbraw/zinc/01/29/79/405012979.db2.gz JKHFDLFFLYCMFV-UHFFFAOYSA-N 1 3 308.470 2.051 20 0 DEADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000417074750 405027195 /nfs/dbraw/zinc/02/71/95/405027195.db2.gz UOYQBYOSNCOFER-PBHICJAKSA-N 1 3 318.465 2.017 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000417087919 405031390 /nfs/dbraw/zinc/03/13/90/405031390.db2.gz IQSZXOFZDWAGSW-NVXWUHKLSA-N 1 3 318.465 2.078 20 0 DEADHO CC(C)[NH2+]CCC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000382721907 405032003 /nfs/dbraw/zinc/03/20/03/405032003.db2.gz NPLFDVWWNQQEND-KRWDZBQOSA-N 1 3 317.477 2.498 20 0 DEADHO COC(=O)COc1c(C)cc(CN2C[C@@H](C[NH3+])C[C@@H]2C)cc1C ZINC000435372560 404974455 /nfs/dbraw/zinc/97/44/55/404974455.db2.gz RXMMWRCCPDGRFA-GOEBONIOSA-N 1 3 320.433 2.024 20 0 DEADHO CN(C)CCN(C)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415955269 404982380 /nfs/dbraw/zinc/98/23/80/404982380.db2.gz LUANNEXDKQWHAY-UHFFFAOYSA-N 1 3 318.343 2.189 20 0 DEADHO CC(C)O[C@@H]1C[C@H](NC[C@@H](O)C[NH+]2CCC(C)CC2)C1(C)C ZINC000361236091 404986551 /nfs/dbraw/zinc/98/65/51/404986551.db2.gz CJKYIFBTWSMCDD-IXDOHACOSA-N 1 3 312.498 2.261 20 0 DEADHO CCN(CC)[C@H](CNC(=O)NC[C@H](C)C[NH3+])c1ccsc1 ZINC000417003914 404994898 /nfs/dbraw/zinc/99/48/98/404994898.db2.gz HLVHOZPACDMSFD-TZMCWYRMSA-N 1 3 312.483 2.025 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH3+])c1ccsc1 ZINC000417006584 404997597 /nfs/dbraw/zinc/99/75/97/404997597.db2.gz JSYXWVNMFBPXKZ-YRGRVCCFSA-N 1 3 312.483 2.166 20 0 DEADHO Cc1cc(C)cc(OC[C@H](O)CN[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000388912042 405036577 /nfs/dbraw/zinc/03/65/77/405036577.db2.gz UNCULWDNJMRTQK-BRWVUGGUSA-N 1 3 306.450 2.115 20 0 DEADHO Cc1cc(C)cc(OC[C@H](O)CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000388912042 405036583 /nfs/dbraw/zinc/03/65/83/405036583.db2.gz UNCULWDNJMRTQK-BRWVUGGUSA-N 1 3 306.450 2.115 20 0 DEADHO CC(C)[C@@H](CNC(=O)N1CCNC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC000417013515 405001295 /nfs/dbraw/zinc/00/12/95/405001295.db2.gz YPISIYJFRGGVIO-MRXNPFEDSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000389991085 405043127 /nfs/dbraw/zinc/04/31/27/405043127.db2.gz OGECRPAMCWAZPO-SPUZQDLCSA-N 1 3 315.461 2.141 20 0 DEADHO CN(CCN(C)C1CC1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416209878 405058828 /nfs/dbraw/zinc/05/88/28/405058828.db2.gz NFJPNSGANZMAKM-QGZVFWFLSA-N 1 3 303.450 2.232 20 0 DEADHO CCC[NH2+]CCNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000417218133 405065351 /nfs/dbraw/zinc/06/53/51/405065351.db2.gz GBSFOOMXJPUDEX-WBVHZDCISA-N 1 3 318.465 2.121 20 0 DEADHO C[C@H](C(=O)N1CCCC[C@@H]1C[NH+](C)C)[C@H](N)c1ccccc1 ZINC000404909928 405069223 /nfs/dbraw/zinc/06/92/23/405069223.db2.gz BLLDTIPHKYSGDT-UAGQMJEPSA-N 1 3 303.450 2.265 20 0 DEADHO C[C@H](CNC(=O)N(C)CC(C)(C)C[NH3+])N(C)Cc1ccccc1 ZINC000417562645 405092444 /nfs/dbraw/zinc/09/24/44/405092444.db2.gz CHWWVCYYHRSZSX-OAHLLOKOSA-N 1 3 320.481 2.133 20 0 DEADHO Cc1cc(C[NH3+])cc(NC(=O)N[C@@H](C)C2=CCN(C)CC2)c1 ZINC000424429844 405092941 /nfs/dbraw/zinc/09/29/41/405092941.db2.gz XYJVULYGSKPVMY-ZDUSSCGKSA-N 1 3 302.422 2.226 20 0 DEADHO CN(Cc1ccccc1)C1(CNC(=O)NC(C)(C)C[NH3+])CCC1 ZINC000418235961 405118837 /nfs/dbraw/zinc/11/88/37/405118837.db2.gz ATMHRMMJPFJNMZ-UHFFFAOYSA-N 1 3 318.465 2.078 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000418232423 405119111 /nfs/dbraw/zinc/11/91/11/405119111.db2.gz DPQYNPCQBFDEFM-IXDOHACOSA-N 1 3 324.513 2.266 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418604161 405136244 /nfs/dbraw/zinc/13/62/44/405136244.db2.gz XIBWZLASWLFFOE-IAGOWNOFSA-N 1 3 318.465 2.066 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000418646438 405147441 /nfs/dbraw/zinc/14/74/41/405147441.db2.gz FJOGNRFSYWAUQN-YSVLISHTSA-N 1 3 318.465 2.018 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000418644832 405147909 /nfs/dbraw/zinc/14/79/09/405147909.db2.gz CPMNGJSZZSHSTE-XYPHTWIQSA-N 1 3 318.465 2.160 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000418644831 405147947 /nfs/dbraw/zinc/14/79/47/405147947.db2.gz CPMNGJSZZSHSTE-XKQJLSEDSA-N 1 3 318.465 2.160 20 0 DEADHO CN(C)C[C@@H]1CCCCN1C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000367753439 405144574 /nfs/dbraw/zinc/14/45/74/405144574.db2.gz KOEIUBXHPFMTMK-YKDOHLLJSA-N 1 3 307.482 2.083 20 0 DEADHO CN1CCCN(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000438341126 405243604 /nfs/dbraw/zinc/24/36/04/405243604.db2.gz AGQMNGZITUNBRV-KRWDZBQOSA-N 1 3 322.497 2.131 20 0 DEADHO CN1CCCN(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000438341126 405243606 /nfs/dbraw/zinc/24/36/06/405243606.db2.gz AGQMNGZITUNBRV-KRWDZBQOSA-N 1 3 322.497 2.131 20 0 DEADHO CCC[NH+]1CCC(NC(=O)[C@H]2CCCN2C2CCCC2)CC1 ZINC000438577676 405251394 /nfs/dbraw/zinc/25/13/94/405251394.db2.gz RDQQLTQRUDFFQR-QGZVFWFLSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CN1C1CC1 ZINC000440274980 405308376 /nfs/dbraw/zinc/30/83/76/405308376.db2.gz IWSDYRPVTMPJSM-CPUCHLNUSA-N 1 3 305.466 2.135 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CN1C1CC1 ZINC000440274980 405308379 /nfs/dbraw/zinc/30/83/79/405308379.db2.gz IWSDYRPVTMPJSM-CPUCHLNUSA-N 1 3 305.466 2.135 20 0 DEADHO C[NH2+]CCC1CCN(CCOc2ccccc2C(=O)OC)CC1 ZINC000420302446 405311468 /nfs/dbraw/zinc/31/14/68/405311468.db2.gz GGBPKSBSRWSOFC-UHFFFAOYSA-N 1 3 320.433 2.174 20 0 DEADHO c1ccc2nc(N3CCN(CC[C@@H]4CC[NH2+]C4)CC3)ccc2c1 ZINC000420312533 405315282 /nfs/dbraw/zinc/31/52/82/405315282.db2.gz HXMJNVZSFVFUQP-INIZCTEOSA-N 1 3 310.445 2.356 20 0 DEADHO CCO[C@H]1C[C@H]([N@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)C1(C)C ZINC000420312339 405315557 /nfs/dbraw/zinc/31/55/57/405315557.db2.gz WTALKGXARJTTEF-XSLAGTTESA-N 1 3 320.477 2.053 20 0 DEADHO CCO[C@H]1C[C@H]([N@@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)C1(C)C ZINC000420312339 405315561 /nfs/dbraw/zinc/31/55/61/405315561.db2.gz WTALKGXARJTTEF-XSLAGTTESA-N 1 3 320.477 2.053 20 0 DEADHO CCO[C@H]1C[C@H](N(C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1(C)C ZINC000420312339 405315562 /nfs/dbraw/zinc/31/55/62/405315562.db2.gz WTALKGXARJTTEF-XSLAGTTESA-N 1 3 320.477 2.053 20 0 DEADHO CCN(CCOc1cccc(C(=O)OC)c1)[C@H]1CCC[NH2+]CC1 ZINC000420319210 405317473 /nfs/dbraw/zinc/31/74/73/405317473.db2.gz XMQACCABSHMLNO-INIZCTEOSA-N 1 3 320.433 2.316 20 0 DEADHO COc1ccccc1[C@H]1CNCCN1CC[C@H]1CCC[NH2+]C1 ZINC000420319138 405317835 /nfs/dbraw/zinc/31/78/35/405317835.db2.gz XEPBFIFUDRDMLB-NVXWUHKLSA-N 1 3 303.450 2.031 20 0 DEADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@@H](n3cccn3)C2)cc1 ZINC000420328153 405321507 /nfs/dbraw/zinc/32/15/07/405321507.db2.gz ZMEJGWAMMQMOKS-DLBZAZTESA-N 1 3 314.433 2.271 20 0 DEADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H](n3cccn3)C2)cc1 ZINC000420328153 405321510 /nfs/dbraw/zinc/32/15/10/405321510.db2.gz ZMEJGWAMMQMOKS-DLBZAZTESA-N 1 3 314.433 2.271 20 0 DEADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H](n3cccn3)C2)cc1 ZINC000420328153 405321512 /nfs/dbraw/zinc/32/15/12/405321512.db2.gz ZMEJGWAMMQMOKS-DLBZAZTESA-N 1 3 314.433 2.271 20 0 DEADHO CC1CCC(NC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000420330622 405322223 /nfs/dbraw/zinc/32/22/23/405322223.db2.gz AZHQRRDWBJHGGV-GMRIPVOYSA-N 1 3 307.482 2.003 20 0 DEADHO C[C@H](NC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1cccs1 ZINC000420341459 405325799 /nfs/dbraw/zinc/32/57/99/405325799.db2.gz OPVLDIXYOLVYCI-RRFJBIMHSA-N 1 3 321.490 2.247 20 0 DEADHO Cc1cccc(NC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420343388 405326204 /nfs/dbraw/zinc/32/62/04/405326204.db2.gz QXSQGZTWDFLWKH-CVEARBPZSA-N 1 3 301.434 2.255 20 0 DEADHO COC(=O)CC1(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000440785371 405326595 /nfs/dbraw/zinc/32/65/95/405326595.db2.gz WUQAPSGKQRBDPK-HOCLYGCPSA-N 1 3 306.450 2.278 20 0 DEADHO COC(=O)CC1(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000440785371 405326597 /nfs/dbraw/zinc/32/65/97/405326597.db2.gz WUQAPSGKQRBDPK-HOCLYGCPSA-N 1 3 306.450 2.278 20 0 DEADHO C[C@H]1C[C@H](NC(=O)NCC2([NH+](C)C)CCCCC2)CN1C1CC1 ZINC000440792657 405326906 /nfs/dbraw/zinc/32/69/06/405326906.db2.gz TYGGBHLVOKVLGD-GJZGRUSLSA-N 1 3 322.497 2.175 20 0 DEADHO CC1(C)C[NH2+]CC[C@@H]1NCCC(=O)N1CCc2sccc2C1 ZINC000420355843 405330150 /nfs/dbraw/zinc/33/01/50/405330150.db2.gz FJDIRFAIWYKSHU-HNNXBMFYSA-N 1 3 321.490 2.001 20 0 DEADHO CC1(C)CNCC[C@@H]1[NH2+]CCC(=O)N1CCc2sccc2C1 ZINC000420355843 405330151 /nfs/dbraw/zinc/33/01/51/405330151.db2.gz FJDIRFAIWYKSHU-HNNXBMFYSA-N 1 3 321.490 2.001 20 0 DEADHO COc1ccccc1[C@H]1CC[C@@H](C)CN1CCN1CC[NH2+]CC1 ZINC000420372602 405336247 /nfs/dbraw/zinc/33/62/47/405336247.db2.gz LOJGVOLWZDMJLV-SJLPKXTDSA-N 1 3 317.477 2.373 20 0 DEADHO [NH3+]CCOCCN1CCC(c2noc3cc(F)ccc32)CC1 ZINC000420382861 405338881 /nfs/dbraw/zinc/33/88/81/405338881.db2.gz YVYGLIHXFSGXSV-UHFFFAOYSA-N 1 3 307.369 2.122 20 0 DEADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCCCOc1ccc2c(c1)OCO2 ZINC000420381247 405339212 /nfs/dbraw/zinc/33/92/12/405339212.db2.gz ZCGGHMOGSSJVJO-PBFPGSCMSA-N 1 3 306.406 2.160 20 0 DEADHO CO[C@@H](CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000425490647 405299073 /nfs/dbraw/zinc/29/90/73/405299073.db2.gz ZJZNGDYHZTWXGM-OTWHNJEPSA-N 1 3 300.446 2.475 20 0 DEADHO CO[C@@H](CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000425490647 405299075 /nfs/dbraw/zinc/29/90/75/405299075.db2.gz ZJZNGDYHZTWXGM-OTWHNJEPSA-N 1 3 300.446 2.475 20 0 DEADHO COC(=O)c1cc2cc(CN3CCC(C[NH3+])CC3)ccc2o1 ZINC000420278534 405305966 /nfs/dbraw/zinc/30/59/66/405305966.db2.gz VRMQHNMXARMONO-UHFFFAOYSA-N 1 3 302.374 2.390 20 0 DEADHO C[NH+](C)C1CCC(NC(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000420774846 405382234 /nfs/dbraw/zinc/38/22/34/405382234.db2.gz SSWYHMNPDJRJMU-UHFFFAOYSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420806636 405388260 /nfs/dbraw/zinc/38/82/60/405388260.db2.gz PQNGLHXCGNKDGO-FHERZECASA-N 1 3 310.486 2.033 20 0 DEADHO CN(C[C@@H]1CCCN1C)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000420913515 405403813 /nfs/dbraw/zinc/40/38/13/405403813.db2.gz JKYRSIQXRIKNOS-DLBZAZTESA-N 1 3 324.513 2.233 20 0 DEADHO CN(C)Cc1ccc(-c2noc(CC[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000427554660 405411975 /nfs/dbraw/zinc/41/19/75/405411975.db2.gz SPROGHZCUVCSCN-HNNXBMFYSA-N 1 3 300.406 2.483 20 0 DEADHO C[C@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)N1CCCC[C@@H]1C ZINC000446136522 405373839 /nfs/dbraw/zinc/37/38/39/405373839.db2.gz FXBRGNQOFHTEGL-JKSUJKDBSA-N 1 3 324.513 2.375 20 0 DEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000454773661 405376977 /nfs/dbraw/zinc/37/69/77/405376977.db2.gz DIIAOSAXPXCWBZ-ULQDDVLXSA-N 1 3 324.513 2.279 20 0 DEADHO COc1ccc(NC(=O)CCN(C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000430558400 405456552 /nfs/dbraw/zinc/45/65/52/405456552.db2.gz AKZJZPLCLARYSP-MRXNPFEDSA-N 1 3 307.438 2.329 20 0 DEADHO COc1ccc(NC(=O)CCN2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000430594136 405463571 /nfs/dbraw/zinc/46/35/71/405463571.db2.gz JVTDZGJNFWECOO-UONOGXRCSA-N 1 3 305.422 2.083 20 0 DEADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CCN1C1CCCC1 ZINC000635747795 405470698 /nfs/dbraw/zinc/47/06/98/405470698.db2.gz XFKYMGWIYRFXIU-WMLDXEAASA-N 1 3 307.482 2.192 20 0 DEADHO CO[C@@H](CNC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CCOC1 ZINC000638453549 405477693 /nfs/dbraw/zinc/47/76/93/405477693.db2.gz FEZJEGHHRZJNTI-AEFFLSMTSA-N 1 3 310.482 2.282 20 0 DEADHO CO[C@@H](C[NH2+]C1CCN(CC2CCCC2)CC1)[C@@H]1CCOC1 ZINC000638453549 405477703 /nfs/dbraw/zinc/47/77/03/405477703.db2.gz FEZJEGHHRZJNTI-AEFFLSMTSA-N 1 3 310.482 2.282 20 0 DEADHO CC1CCC(N(C)C(=O)CN2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000431038699 405567151 /nfs/dbraw/zinc/56/71/51/405567151.db2.gz OUFRTGQMCUFMOQ-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H](CCNC(=O)[C@@H]1CCN1C1CCCC1)[NH+]1CCCCC1 ZINC000635796116 405513647 /nfs/dbraw/zinc/51/36/47/405513647.db2.gz YFLFFVRSBFHVMX-WBVHZDCISA-N 1 3 307.482 2.384 20 0 DEADHO C[C@H](NC1CC1)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000449122934 405518273 /nfs/dbraw/zinc/51/82/73/405518273.db2.gz BBIIGFTZDLKBDC-PMPSAXMXSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H](NC1CC1)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000449122934 405518275 /nfs/dbraw/zinc/51/82/75/405518275.db2.gz BBIIGFTZDLKBDC-PMPSAXMXSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430887102 405521586 /nfs/dbraw/zinc/52/15/86/405521586.db2.gz DKDLOPJLQNJOIT-DQIHPLBOSA-N 1 3 307.482 2.286 20 0 DEADHO C[NH2+]CC1CCN(CC(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000430934343 405535111 /nfs/dbraw/zinc/53/51/11/405535111.db2.gz ORZHFNPRVYJXDY-UHFFFAOYSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@H](CC(=O)N1CCCc2cccc(CN)c21)[C@@H]1CCC[NH2+]C1 ZINC000638546439 405541062 /nfs/dbraw/zinc/54/10/62/405541062.db2.gz DXYCWCROTBXNML-RHSMWYFYSA-N 1 3 315.461 2.450 20 0 DEADHO C[C@@H]([NH3+])C1CCN([C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000430963042 405549148 /nfs/dbraw/zinc/54/91/48/405549148.db2.gz RXVNVDIPMRMWSR-HZSPNIEDSA-N 1 3 321.440 2.451 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000458703576 405552086 /nfs/dbraw/zinc/55/20/86/405552086.db2.gz HUSZJDDVQBQCHY-IAGOWNOFSA-N 1 3 322.497 2.127 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000458703576 405552090 /nfs/dbraw/zinc/55/20/90/405552090.db2.gz HUSZJDDVQBQCHY-IAGOWNOFSA-N 1 3 322.497 2.127 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC(CC[NH3+])CC1 ZINC000580455527 405622803 /nfs/dbraw/zinc/62/28/03/405622803.db2.gz JWYVPXRZPDKTBV-MRXNPFEDSA-N 1 3 310.486 2.021 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1[C@H](C2CC2)[C@@H]1C ZINC000528338134 405568687 /nfs/dbraw/zinc/56/86/87/405568687.db2.gz UOTFHFBHPTVSTO-XOYOTBSWSA-N 1 3 321.509 2.153 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1[C@H](C2CC2)[C@@H]1C ZINC000528338134 405568689 /nfs/dbraw/zinc/56/86/89/405568689.db2.gz UOTFHFBHPTVSTO-XOYOTBSWSA-N 1 3 321.509 2.153 20 0 DEADHO CCN(Cc1ccc(C(=O)N(C)C2CC([NH3+])C2)cc1)C1CC1 ZINC000449630702 405647528 /nfs/dbraw/zinc/64/75/28/405647528.db2.gz IUDRRGILUDZEDD-UHFFFAOYSA-N 1 3 301.434 2.233 20 0 DEADHO CO[C@](C)(CNC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C1CC1 ZINC000638747685 405647836 /nfs/dbraw/zinc/64/78/36/405647836.db2.gz FFKAATFCTQVJIY-OKZBNKHCSA-N 1 3 310.482 2.159 20 0 DEADHO Cc1cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1-n1cncn1 ZINC000558423723 405658802 /nfs/dbraw/zinc/65/88/02/405658802.db2.gz OVCYRVNZBJCMBB-DOTOQJQBSA-N 1 3 313.449 2.348 20 0 DEADHO Cc1cc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1-n1cncn1 ZINC000558423723 405658808 /nfs/dbraw/zinc/65/88/08/405658808.db2.gz OVCYRVNZBJCMBB-DOTOQJQBSA-N 1 3 313.449 2.348 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422244145 405666665 /nfs/dbraw/zinc/66/66/65/405666665.db2.gz JXIUUFUZVAKRKP-BACDZXNISA-N 1 3 322.497 2.127 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000494248321 405669153 /nfs/dbraw/zinc/66/91/53/405669153.db2.gz QTLOTNCQJMQUSL-QGZVFWFLSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1C[C@@H](C)N(CCc2nc3ccccc3n2C)C[C@H]1C[NH3+] ZINC000422625248 405674398 /nfs/dbraw/zinc/67/43/98/405674398.db2.gz BAWIDDMCIKUGKN-RBSFLKMASA-N 1 3 300.450 2.421 20 0 DEADHO C[C@@H]1C[C@@H](C)[N@H+](CCc2nc3ccccc3n2C)C[C@H]1CN ZINC000422625248 405674403 /nfs/dbraw/zinc/67/44/03/405674403.db2.gz BAWIDDMCIKUGKN-RBSFLKMASA-N 1 3 300.450 2.421 20 0 DEADHO C[C@@H]1C[C@@H](C)[N@@H+](CCc2nc3ccccc3n2C)C[C@H]1CN ZINC000422625248 405674407 /nfs/dbraw/zinc/67/44/07/405674407.db2.gz BAWIDDMCIKUGKN-RBSFLKMASA-N 1 3 300.450 2.421 20 0 DEADHO COCCN(C)CC[C@H](N[C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422722822 405675047 /nfs/dbraw/zinc/67/50/47/405675047.db2.gz YXMKHJCVANFLST-UHOSZYNNSA-N 1 3 319.493 2.426 20 0 DEADHO CC[C@H](C)[C@H](O)CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422712000 405675176 /nfs/dbraw/zinc/67/51/76/405675176.db2.gz NPGGTFMPZMLDLB-AAJLLMFJSA-N 1 3 304.434 2.239 20 0 DEADHO CC(C)CC[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638800965 405675890 /nfs/dbraw/zinc/67/58/90/405675890.db2.gz RGANSIQJEAWGGG-ZWKOTPCHSA-N 1 3 317.477 2.388 20 0 DEADHO CC(C)CC[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638800965 405675896 /nfs/dbraw/zinc/67/58/96/405675896.db2.gz RGANSIQJEAWGGG-ZWKOTPCHSA-N 1 3 317.477 2.388 20 0 DEADHO [NH3+]Cc1ccc2c(c1)N(C(=O)C[C@H]1NCc3ccccc31)CCO2 ZINC000638808687 405681334 /nfs/dbraw/zinc/68/13/34/405681334.db2.gz ZVAHXEQDXIUXLL-MRXNPFEDSA-N 1 3 323.396 2.105 20 0 DEADHO C[C@H](c1ccncc1)N1CCC(N[C@@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000422971483 405692829 /nfs/dbraw/zinc/69/28/29/405692829.db2.gz YKUMRSHLQQWBPJ-HDMKZQKVSA-N 1 3 302.466 2.337 20 0 DEADHO N[C@H](CC(=O)NCc1cccc2c1CC[NH2+]C2)c1ccccc1 ZINC000638844065 405709551 /nfs/dbraw/zinc/70/95/51/405709551.db2.gz WWOSPHRHEMUNTE-GOSISDBHSA-N 1 3 309.413 2.039 20 0 DEADHO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H](C)N(C)C)CC1 ZINC000459041120 405710036 /nfs/dbraw/zinc/71/00/36/405710036.db2.gz NDUYFBHWDOQQPK-HNNXBMFYSA-N 1 3 312.502 2.090 20 0 DEADHO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H](C)N(C)C)CC1 ZINC000459041120 405710043 /nfs/dbraw/zinc/71/00/43/405710043.db2.gz NDUYFBHWDOQQPK-HNNXBMFYSA-N 1 3 312.502 2.090 20 0 DEADHO C[C@H](C(=O)NCc1cccc2c1CC[NH2+]C2)N1CCCCCC1 ZINC000638843173 405708601 /nfs/dbraw/zinc/70/86/01/405708601.db2.gz BLQJRXADRIYQID-OAHLLOKOSA-N 1 3 315.461 2.213 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](N)c2ccccc2)[C@H](C)C1 ZINC000423246775 405735449 /nfs/dbraw/zinc/73/54/49/405735449.db2.gz PZOCGICESJMERY-NEWSRXKRSA-N 1 3 319.493 2.413 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](N)c2ccccc2)[C@H](C)C1 ZINC000423246775 405735454 /nfs/dbraw/zinc/73/54/54/405735454.db2.gz PZOCGICESJMERY-NEWSRXKRSA-N 1 3 319.493 2.413 20 0 DEADHO C[NH2+]C[C@@H](C)CN[C@@H](CCn1cncn1)c1ccc(C)cc1 ZINC000423281111 405748208 /nfs/dbraw/zinc/74/82/08/405748208.db2.gz VKOBZYJSNUUSAY-WBVHZDCISA-N 1 3 301.438 2.163 20 0 DEADHO COc1cc([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)ccn1 ZINC000559920502 405760201 /nfs/dbraw/zinc/76/02/01/405760201.db2.gz AKOCHJJSHPCYMG-JQFCIGGWSA-N 1 3 319.449 2.119 20 0 DEADHO CC(C)[NH+]1CCC(N2CCN(C[C@@H]3CCSC3)CC2)CC1 ZINC000494930661 405784361 /nfs/dbraw/zinc/78/43/61/405784361.db2.gz ALQLSDKKFGMKOT-INIZCTEOSA-N 1 3 311.539 2.230 20 0 DEADHO CN1CCC[C@@H](CNC(=O)CC2(C[NH3+])CC2)[C@@H]1c1cccs1 ZINC000423416907 405798046 /nfs/dbraw/zinc/79/80/46/405798046.db2.gz DQUNOCGATKEHIP-XJKSGUPXSA-N 1 3 321.490 2.376 20 0 DEADHO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000639003715 405813947 /nfs/dbraw/zinc/81/39/47/405813947.db2.gz BXDFCQSVKYFGJG-XIRDDKMYSA-N 1 3 303.450 2.059 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)c3ccc(C[NH3+])cc3)C2)cc1 ZINC000639003482 405814444 /nfs/dbraw/zinc/81/44/44/405814444.db2.gz AMPWPBOHQHLIEL-IBGZPJMESA-N 1 3 323.440 2.458 20 0 DEADHO C[C@H]1C[C@@H]([NH3+])CCN1CCC(=O)NCc1ccccc1Cl ZINC000584060941 405817924 /nfs/dbraw/zinc/81/79/24/405817924.db2.gz LQFVGLSDZMUARW-JSGCOSHPSA-N 1 3 309.841 2.158 20 0 DEADHO CC[C@@H](C(=O)N1C[C@H](C[NH3+])Cc2ccccc21)N(CC)CC ZINC000639021055 405823835 /nfs/dbraw/zinc/82/38/35/405823835.db2.gz DWIWOEPAUWWHKL-HOCLYGCPSA-N 1 3 303.450 2.271 20 0 DEADHO CN[C@H](CC(C)(C)C)C(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000639024040 405825537 /nfs/dbraw/zinc/82/55/37/405825537.db2.gz NLTZMGBPMKEYFB-DZGCQCFKSA-N 1 3 303.450 2.175 20 0 DEADHO COCCOc1ccc([C@@H](C)[NH2+]CC2(N)CCC2)cc1OC ZINC000423330642 405763426 /nfs/dbraw/zinc/76/34/26/405763426.db2.gz PMPNPBMVKKXMGY-CYBMUJFWSA-N 1 3 308.422 2.252 20 0 DEADHO COCCOc1ccc([C@H](C)[NH2+]CC2(N)CCC2)cc1OC ZINC000423330643 405763447 /nfs/dbraw/zinc/76/34/47/405763447.db2.gz PMPNPBMVKKXMGY-ZDUSSCGKSA-N 1 3 308.422 2.252 20 0 DEADHO N[C@@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)C1CCC1 ZINC000423351036 405773260 /nfs/dbraw/zinc/77/32/60/405773260.db2.gz HGWVXRMFUILPKI-QGZVFWFLSA-N 1 3 307.482 2.228 20 0 DEADHO N[C@@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)C1CCC1 ZINC000423351036 405773263 /nfs/dbraw/zinc/77/32/63/405773263.db2.gz HGWVXRMFUILPKI-QGZVFWFLSA-N 1 3 307.482 2.228 20 0 DEADHO CC(C)N1CC[C@H](N(C)C(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000457437571 405842077 /nfs/dbraw/zinc/84/20/77/405842077.db2.gz PCCDFKRIEFLGKJ-INIZCTEOSA-N 1 3 324.513 2.375 20 0 DEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCCNC1CC1 ZINC000423533315 405844893 /nfs/dbraw/zinc/84/48/93/405844893.db2.gz XHKUHYOSUTXYIF-QAPCUYQASA-N 1 3 302.466 2.024 20 0 DEADHO COC(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000496374807 405967157 /nfs/dbraw/zinc/96/71/57/405967157.db2.gz MIPPCNZYHUMOAM-ARFHVFGLSA-N 1 3 309.454 2.118 20 0 DEADHO C[C@H]([NH3+])CCC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000423744495 405941872 /nfs/dbraw/zinc/94/18/72/405941872.db2.gz LJNBAXVVAWBWQG-ZDUSSCGKSA-N 1 3 311.857 2.358 20 0 DEADHO [NH3+]CCC(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000423757429 405950160 /nfs/dbraw/zinc/95/01/60/405950160.db2.gz MFGCAJVUSDQSPP-UHFFFAOYSA-N 1 3 309.841 2.113 20 0 DEADHO CN(C)CCNC(=O)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC000450548330 405951620 /nfs/dbraw/zinc/95/16/20/405951620.db2.gz RNPBJVOGCSBCFX-UHFFFAOYSA-N 1 3 307.482 2.267 20 0 DEADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423760430 405951721 /nfs/dbraw/zinc/95/17/21/405951721.db2.gz NFAAAOGMNRAQSZ-ZBSSRIJBSA-N 1 3 307.482 2.096 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000433228347 405903407 /nfs/dbraw/zinc/90/34/07/405903407.db2.gz OVHPIRDIYKJCOP-DLBZAZTESA-N 1 3 301.434 2.105 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000433228347 405903413 /nfs/dbraw/zinc/90/34/13/405903413.db2.gz OVHPIRDIYKJCOP-DLBZAZTESA-N 1 3 301.434 2.105 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C)[C@H](C)C3)CC2)CC1 ZINC000561269108 405915555 /nfs/dbraw/zinc/91/55/55/405915555.db2.gz DTLOSEMLODNUQH-IYBDPMFKSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423712382 405922301 /nfs/dbraw/zinc/92/23/01/405922301.db2.gz ODJFTVUHXWWVSJ-SQNIBIBYSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633944101 405922353 /nfs/dbraw/zinc/92/23/53/405922353.db2.gz LOVWCJKOCUUMKL-HOTGVXAUSA-N 1 3 307.482 2.336 20 0 DEADHO COCC[N@H+](C)CCCN[C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000531939443 406025393 /nfs/dbraw/zinc/02/53/93/406025393.db2.gz SLHRFWOHTXUJAQ-AWEZNQCLSA-N 1 3 319.449 2.190 20 0 DEADHO COCC[N@@H+](C)CCCN[C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000531939443 406025397 /nfs/dbraw/zinc/02/53/97/406025397.db2.gz SLHRFWOHTXUJAQ-AWEZNQCLSA-N 1 3 319.449 2.190 20 0 DEADHO COC1CCN(C(C)(C)C[NH2+]C2CCN(CC3CC3)CC2)CC1 ZINC000531975063 406029707 /nfs/dbraw/zinc/02/97/07/406029707.db2.gz WWVURMLWDSHKGF-UHFFFAOYSA-N 1 3 323.525 2.340 20 0 DEADHO OC[C@@H]([C@H]([NH2+]C1CCN(c2ccncc2)CC1)C1CC1)C1CC1 ZINC000459588531 405971387 /nfs/dbraw/zinc/97/13/87/405971387.db2.gz XSQSPZPQGPTYOO-RTBURBONSA-N 1 3 315.461 2.437 20 0 DEADHO C[NH+]1CCC(CCNC(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000433923208 405999559 /nfs/dbraw/zinc/99/95/59/405999559.db2.gz YAMFJWCLIZFKLO-QGZVFWFLSA-N 1 3 322.497 2.034 20 0 DEADHO C[NH+](C)C1CCC(NC(=O)Nc2cccc3c2CCNC3)CC1 ZINC000567637932 406109723 /nfs/dbraw/zinc/10/97/23/406109723.db2.gz JGTPEUINOSCJTL-UHFFFAOYSA-N 1 3 316.449 2.327 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000518371019 406137212 /nfs/dbraw/zinc/13/72/12/406137212.db2.gz LMBQUVRWQLIJTR-LJIGWXMPSA-N 1 3 318.465 2.247 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000533512949 406147897 /nfs/dbraw/zinc/14/78/97/406147897.db2.gz CEJPGHMUIRMBKP-DOTOQJQBSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000533512949 406147899 /nfs/dbraw/zinc/14/78/99/406147899.db2.gz CEJPGHMUIRMBKP-DOTOQJQBSA-N 1 3 307.482 2.240 20 0 DEADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCC(=O)N(C)C)C2)s1 ZINC000567994929 406177645 /nfs/dbraw/zinc/17/76/45/406177645.db2.gz YLRWIZNCSGBWFS-HNNXBMFYSA-N 1 3 323.506 2.289 20 0 DEADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCC(=O)N(C)C)C2)s1 ZINC000567994929 406177648 /nfs/dbraw/zinc/17/76/48/406177648.db2.gz YLRWIZNCSGBWFS-HNNXBMFYSA-N 1 3 323.506 2.289 20 0 DEADHO CN1CCC([NH+]2CCC(NC/C=C\c3ccncc3)CC2)CC1 ZINC000486937918 406191598 /nfs/dbraw/zinc/19/15/98/406191598.db2.gz IGOIRBRGMFGBCH-IHWYPQMZSA-N 1 3 314.477 2.243 20 0 DEADHO CC[NH+](CC)CCO[C@@H]1CCN(CCc2ccncc2C)C1 ZINC000519600732 406219309 /nfs/dbraw/zinc/21/93/09/406219309.db2.gz SSEHCGDKVMYCGG-GOSISDBHSA-N 1 3 305.466 2.365 20 0 DEADHO [NH3+]C[C@@H](NC(=O)NC[C@@H]1CCCCN1C1CC1)C1CCCCC1 ZINC000568966191 292379914 /nfs/dbraw/zinc/37/99/14/292379914.db2.gz BQNNZUWDUHGTNX-DLBZAZTESA-N 1 3 322.497 2.210 20 0 DEADHO CC(C)CN(C(=O)CN1CCC2(C1)CC[NH+](C)CC2)C1CC1 ZINC000639757645 406238141 /nfs/dbraw/zinc/23/81/41/406238141.db2.gz KMJHJSXPJVNCAN-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H](C(=O)N(C)c1ccccc1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639760397 406240196 /nfs/dbraw/zinc/24/01/96/406240196.db2.gz WVQGEUWUHBAJJA-INIZCTEOSA-N 1 3 315.461 2.456 20 0 DEADHO CC[C@@H]1CN(C(=O)N[C@@H](CC(C)C)CN2CCCC2)CC[C@@H]1[NH3+] ZINC000632914289 406318250 /nfs/dbraw/zinc/31/82/50/406318250.db2.gz GMHRYGJZQPAZKC-IKGGRYGDSA-N 1 3 324.513 2.266 20 0 DEADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@@H]2CCN2C2CCCC2)CC1 ZINC000637472897 406320760 /nfs/dbraw/zinc/32/07/60/406320760.db2.gz MPGJTBQTMJNEOH-KRWDZBQOSA-N 1 3 322.497 2.175 20 0 DEADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000488592550 406334483 /nfs/dbraw/zinc/33/44/83/406334483.db2.gz HUDVHGXBGBJEDP-WCXIOVBPSA-N 1 3 324.513 2.088 20 0 DEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000488592550 406334485 /nfs/dbraw/zinc/33/44/85/406334485.db2.gz HUDVHGXBGBJEDP-WCXIOVBPSA-N 1 3 324.513 2.088 20 0 DEADHO CC[N@H+](CCNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1)C(C)C ZINC000488685632 406337163 /nfs/dbraw/zinc/33/71/63/406337163.db2.gz NTZRMAOCAWEVTC-YESZJQIVSA-N 1 3 324.513 2.088 20 0 DEADHO CC[N@@H+](CCNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1)C(C)C ZINC000488685632 406337166 /nfs/dbraw/zinc/33/71/66/406337166.db2.gz NTZRMAOCAWEVTC-YESZJQIVSA-N 1 3 324.513 2.088 20 0 DEADHO Cc1ccccc1OC[C@@H](O)C[NH2+]CC(C)(C)CN1CCCC1 ZINC000570082849 406342200 /nfs/dbraw/zinc/34/22/00/406342200.db2.gz XSDXCGKQUIKOQK-KRWDZBQOSA-N 1 3 320.477 2.446 20 0 DEADHO CN1CCC[C@H](CNC(=O)[C@@]2(C)CCC[NH2+]2)[C@@H]1c1cccs1 ZINC000521442440 406347523 /nfs/dbraw/zinc/34/75/23/406347523.db2.gz FEDBBNJDRLOPBR-FRFSOERESA-N 1 3 321.490 2.389 20 0 DEADHO COc1ccc(C[C@H](C)C[NH+]2CCC(NCCO)CC2)cc1F ZINC000635001045 406393299 /nfs/dbraw/zinc/39/32/99/406393299.db2.gz DAODRXCIEFGLNH-AWEZNQCLSA-N 1 3 324.440 2.059 20 0 DEADHO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)c1ccc(S(C)(=O)=O)cc1 ZINC000635010943 406398512 /nfs/dbraw/zinc/39/85/12/406398512.db2.gz CCFNBNBLJJIAMD-FRFSOERESA-N 1 3 324.490 2.301 20 0 DEADHO CC(C)n1cc([C@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)cn1 ZINC000635010222 406398950 /nfs/dbraw/zinc/39/89/50/406398950.db2.gz RBTGTNGXTLTHFE-AWEZNQCLSA-N 1 3 314.437 2.442 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000523218651 406419742 /nfs/dbraw/zinc/41/97/42/406419742.db2.gz RENAIKHLXSNMRM-DLBZAZTESA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000523218651 406419743 /nfs/dbraw/zinc/41/97/43/406419743.db2.gz RENAIKHLXSNMRM-DLBZAZTESA-N 1 3 324.513 2.136 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000523649339 406428800 /nfs/dbraw/zinc/42/88/00/406428800.db2.gz GISZDMLKNRNCMJ-QGZVFWFLSA-N 1 3 303.450 2.048 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000523649339 406428804 /nfs/dbraw/zinc/42/88/04/406428804.db2.gz GISZDMLKNRNCMJ-QGZVFWFLSA-N 1 3 303.450 2.048 20 0 DEADHO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]C1CCN(CC2CC2)CC1 ZINC000548021186 406468844 /nfs/dbraw/zinc/46/88/44/406468844.db2.gz DAURPYGAOMWWDS-IRXDYDNUSA-N 1 3 318.465 2.197 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC2([NH3+])CCC2)C1 ZINC000571147960 406482955 /nfs/dbraw/zinc/48/29/55/406482955.db2.gz DXPGGGJUTBDVSQ-GDBMZVCRSA-N 1 3 316.449 2.003 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000524300465 406444764 /nfs/dbraw/zinc/44/47/64/406444764.db2.gz QNHYOEMISFOUDD-GJZGRUSLSA-N 1 3 321.490 2.028 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000524300465 406444770 /nfs/dbraw/zinc/44/47/70/406444770.db2.gz QNHYOEMISFOUDD-GJZGRUSLSA-N 1 3 321.490 2.028 20 0 DEADHO CN(CCCC[NH+]1CCCCC1)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000640533137 406535250 /nfs/dbraw/zinc/53/52/50/406535250.db2.gz NGGHYUKRQGYQJT-HDICACEKSA-N 1 3 309.498 2.048 20 0 DEADHO C[NH+](C)CC1(C(=O)N2CCN(CC3CCCCC3)CC2)CC1 ZINC000635440157 406538106 /nfs/dbraw/zinc/53/81/06/406538106.db2.gz VVJZJCIFGLAFDN-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO CC[NH2+][C@H](C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000638084360 406561523 /nfs/dbraw/zinc/56/15/23/406561523.db2.gz KEGOPOQCYQOOFG-KGLIPLIRSA-N 1 3 309.479 2.074 20 0 DEADHO CC1CCC(N2CCN(C(=O)N[C@@H]3CCC[NH2+]CC3)CC2)CC1 ZINC000641090060 406624548 /nfs/dbraw/zinc/62/45/48/406624548.db2.gz DXDKQUAMGBAQIC-AQFXKWCLSA-N 1 3 322.497 2.034 20 0 DEADHO CC[NH2+][C@H](C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000638114088 406576576 /nfs/dbraw/zinc/57/65/76/406576576.db2.gz XBMBRBUYFVRYIA-LZLYRXPVSA-N 1 3 317.477 2.496 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC000635720586 406703397 /nfs/dbraw/zinc/70/33/97/406703397.db2.gz VNRWDKCTEQHTNV-INIZCTEOSA-N 1 3 311.514 2.449 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC000635720586 406703402 /nfs/dbraw/zinc/70/34/02/406703402.db2.gz VNRWDKCTEQHTNV-INIZCTEOSA-N 1 3 311.514 2.449 20 0 DEADHO CC(C)CC[C@H](N)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000638290099 406675284 /nfs/dbraw/zinc/67/52/84/406675284.db2.gz YWGZSKBGMTXRKY-KRWDZBQOSA-N 1 3 318.465 2.178 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2CCN2C2CCCC2)CC1 ZINC000527643089 406701842 /nfs/dbraw/zinc/70/18/42/406701842.db2.gz VKNGVQPJNXUSPQ-KRWDZBQOSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000553313278 406749393 /nfs/dbraw/zinc/74/93/93/406749393.db2.gz DPAKBZRTMGMHCQ-MRXNPFEDSA-N 1 3 317.477 2.252 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000527826360 406764379 /nfs/dbraw/zinc/76/43/79/406764379.db2.gz HQDQMIANTJUUMB-DJIMGWMZSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000646139631 406795783 /nfs/dbraw/zinc/79/57/83/406795783.db2.gz IFSKPZHWUXSSDA-RDJZCZTQSA-N 1 3 317.477 2.081 20 0 DEADHO C[C@H](Cc1cccs1)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000646215167 406818144 /nfs/dbraw/zinc/81/81/44/406818144.db2.gz HOMIEWGAQWQILM-OAHLLOKOSA-N 1 3 323.506 2.261 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000646211551 406817572 /nfs/dbraw/zinc/81/75/72/406817572.db2.gz NLCHIRWAXDZISN-HOTGVXAUSA-N 1 3 318.465 2.030 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000555217124 406836571 /nfs/dbraw/zinc/83/65/71/406836571.db2.gz OPVIHKSYUMWMGI-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)CC[C@@H]([NH3+])c2ccccc2)CN1C1CC1 ZINC000646530050 406878067 /nfs/dbraw/zinc/87/80/67/406878067.db2.gz NJIIXZIFXVAHAL-UKPHBRMFSA-N 1 3 301.434 2.208 20 0 DEADHO COc1ccccc1[C@H](N)CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000646605136 406885400 /nfs/dbraw/zinc/88/54/00/406885400.db2.gz ZGVKCBKLHACQLA-GDBMZVCRSA-N 1 3 319.449 2.076 20 0 DEADHO COc1ccccc1[C@H](N)CNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000646605136 406885404 /nfs/dbraw/zinc/88/54/04/406885404.db2.gz ZGVKCBKLHACQLA-GDBMZVCRSA-N 1 3 319.449 2.076 20 0 DEADHO COc1ccccc1[C@@H](N)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000646603550 406885431 /nfs/dbraw/zinc/88/54/31/406885431.db2.gz OKYLWSZHEJEISI-ZBFHGGJFSA-N 1 3 319.449 2.076 20 0 DEADHO CC1(C)[C@H]([NH3+])C[C@H]1NCCCc1nc(-c2cccs2)no1 ZINC000641807111 406897800 /nfs/dbraw/zinc/89/78/00/406897800.db2.gz QKCDOMYEORGHBU-VXGBXAGGSA-N 1 3 306.435 2.446 20 0 DEADHO C[C@@H]1C[C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)CO1 ZINC000647182160 406966519 /nfs/dbraw/zinc/96/65/19/406966519.db2.gz KWMDXXHQIZSKHI-WBVHZDCISA-N 1 3 304.434 2.428 20 0 DEADHO CCC[NH+]1CCC(CNCc2ccnn2-c2ccccn2)CC1 ZINC000647179893 406966819 /nfs/dbraw/zinc/96/68/19/406966819.db2.gz UYVMIJUAOOQQKJ-UHFFFAOYSA-N 1 3 313.449 2.479 20 0 DEADHO CC[C@@H]1CN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000647010021 406940188 /nfs/dbraw/zinc/94/01/88/406940188.db2.gz MWESOOUTXFINLD-SQNIBIBYSA-N 1 3 315.461 2.237 20 0 DEADHO C[NH+](C)CCOc1ccccc1-c1nc([C@H]2CCCN2)no1 ZINC000647151304 406959888 /nfs/dbraw/zinc/95/98/88/406959888.db2.gz AZKGKNCCBFEHSN-CYBMUJFWSA-N 1 3 302.378 2.102 20 0 DEADHO Cc1nn(C)c(N(C)C)c1CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543492 407017930 /nfs/dbraw/zinc/01/79/30/407017930.db2.gz OIDJYXCRRXZEBV-JKSUJKDBSA-N 1 3 319.497 2.006 20 0 DEADHO C[C@H]1CC[NH2+]C[C@@H]1NC1CCN(C(=O)NC2CCCCC2)CC1 ZINC000643470001 407004305 /nfs/dbraw/zinc/00/43/05/407004305.db2.gz OVESOZKGEULKBM-YOEHRIQHSA-N 1 3 322.497 2.081 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCCCN1Cc1ccc(OCCN(C)C)cc1 ZINC000647483742 407006019 /nfs/dbraw/zinc/00/60/19/407006019.db2.gz GERQXJAFLZKZCJ-MAUKXSAKSA-N 1 3 305.466 2.329 20 0 DEADHO C[C@@H]1CCCN(Cc2ccc(OCCN(C)C)cc2)[C@@H]1C[NH3+] ZINC000647496750 407008095 /nfs/dbraw/zinc/00/80/95/407008095.db2.gz NZPDUCIYNDRJCY-CRAIPNDOSA-N 1 3 305.466 2.186 20 0 DEADHO CC(C)N(C(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)C(C)C ZINC000647976752 407091685 /nfs/dbraw/zinc/09/16/85/407091685.db2.gz TUISLCWQANAYDH-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO O=C(CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)NC(C1CC1)C1CC1 ZINC000647977197 407092442 /nfs/dbraw/zinc/09/24/42/407092442.db2.gz ZDOACUCCYIUMEF-DLBZAZTESA-N 1 3 319.493 2.003 20 0 DEADHO CN(CCCC1CC[NH2+]CC1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000647888180 407068159 /nfs/dbraw/zinc/06/81/59/407068159.db2.gz XIPXSOSZQFQSPJ-CVEARBPZSA-N 1 3 316.511 2.054 20 0 DEADHO CCOc1ccccc1NC(=O)CCN1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000647934437 407078686 /nfs/dbraw/zinc/07/86/86/407078686.db2.gz FWWAETLHUGAQFF-LSDHHAIUSA-N 1 3 319.449 2.473 20 0 DEADHO CC[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)CCO1 ZINC000648510658 407190665 /nfs/dbraw/zinc/19/06/65/407190665.db2.gz FZMMCZMSEXGUOU-GUDVDZBRSA-N 1 3 318.461 2.300 20 0 DEADHO CCOC[C@@H](O)CNCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000644522431 407135269 /nfs/dbraw/zinc/13/52/69/407135269.db2.gz XFKZPQRUICAAPQ-APWZRJJASA-N 1 3 320.477 2.406 20 0 DEADHO CCOC[C@@H](O)CNCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000644522431 407135271 /nfs/dbraw/zinc/13/52/71/407135271.db2.gz XFKZPQRUICAAPQ-APWZRJJASA-N 1 3 320.477 2.406 20 0 DEADHO Cc1ccccc1CN1CCCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000645472431 407282994 /nfs/dbraw/zinc/28/29/94/407282994.db2.gz KKTYZMAOUTZFLE-UHFFFAOYSA-N 1 3 315.461 2.301 20 0 DEADHO CCCN(C(=O)NCC(C)(C)C[NH+]1CCCC1)[C@@H]1CCN(C)C1 ZINC000645473795 407283006 /nfs/dbraw/zinc/28/30/06/407283006.db2.gz YSQMQWBGAYXKRA-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H](CCCC[NH3+])NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000416804442 298388396 /nfs/dbraw/zinc/38/83/96/298388396.db2.gz JZVALWQXHVSNLW-GDBMZVCRSA-N 1 3 306.454 2.106 20 0 DEADHO N[C@@H]1CCC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)C1 ZINC000570294369 292475040 /nfs/dbraw/zinc/47/50/40/292475040.db2.gz RFSFHONLMZXAKH-UKRRQHHQSA-N 1 3 319.424 2.290 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(CCN(C)C)C(C)C ZINC000159043372 287008438 /nfs/dbraw/zinc/00/84/38/287008438.db2.gz VWXKWZSXYGWINX-MRXNPFEDSA-N 1 3 312.502 2.233 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(CCN(C)C)C(C)C ZINC000159043372 287008439 /nfs/dbraw/zinc/00/84/39/287008439.db2.gz VWXKWZSXYGWINX-MRXNPFEDSA-N 1 3 312.502 2.233 20 0 DEADHO C[C@H]1C[C@H](C[NH3+])CN1CCOc1ccc(Br)cc1 ZINC000131664765 196189327 /nfs/dbraw/zinc/18/93/27/196189327.db2.gz KEIKUMYBHAUBMU-NWDGAFQWSA-N 1 3 313.239 2.497 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C[C@H](O)CN(C)C2CC2)C1 ZINC000336875511 287273146 /nfs/dbraw/zinc/27/31/46/287273146.db2.gz IABPKFAZWAUNFE-ZHALLVOQSA-N 1 3 323.525 2.028 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C[C@H](O)CN(C)C2CC2)C1 ZINC000336875511 287273148 /nfs/dbraw/zinc/27/31/48/287273148.db2.gz IABPKFAZWAUNFE-ZHALLVOQSA-N 1 3 323.525 2.028 20 0 DEADHO CC[C@@]1(C)C[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000134072499 196359419 /nfs/dbraw/zinc/35/94/19/196359419.db2.gz BYARMCXYMYLFFX-WMZOPIPTSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1csc(C(=O)N(CCN(C)C)CC[NH+](C)C)c1Cl ZINC000571733453 292568454 /nfs/dbraw/zinc/56/84/54/292568454.db2.gz XIXJQGQFNFAMFS-UHFFFAOYSA-N 1 3 317.886 2.275 20 0 DEADHO CC[C@@H](C)C[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC001369434356 1148983040 /nfs/dbraw/zinc/98/30/40/1148983040.db2.gz GVBIXVHEWGFVTO-CABCVRRESA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1C[C@@H](CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000423118227 288502338 /nfs/dbraw/zinc/50/23/38/288502338.db2.gz ZMBNLRWKBIVOEZ-NWCWSAAOSA-N 1 3 310.482 2.327 20 0 DEADHO C[C@H](CNC(=O)NC[C@H](N)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000417309151 229006553 /nfs/dbraw/zinc/00/65/53/229006553.db2.gz IHZGDPABPHZOHY-WBVHZDCISA-N 1 3 318.465 2.106 20 0 DEADHO N[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000417698918 229071375 /nfs/dbraw/zinc/07/13/75/229071375.db2.gz FESICSPXUKFZQZ-WBVHZDCISA-N 1 3 316.449 2.003 20 0 DEADHO N[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000417698918 229071377 /nfs/dbraw/zinc/07/13/77/229071377.db2.gz FESICSPXUKFZQZ-WBVHZDCISA-N 1 3 316.449 2.003 20 0 DEADHO C[C@H]1[C@H](NC(=O)N(CCC[NH3+])Cc2ccccc2)CCCN1C ZINC000418004780 229184020 /nfs/dbraw/zinc/18/40/20/229184020.db2.gz ORQBAPHQEKFBOS-DOTOQJQBSA-N 1 3 318.465 2.030 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccccc1N1CCOCC1 ZINC000422696140 230168228 /nfs/dbraw/zinc/16/82/28/230168228.db2.gz QVENNSDEJJOTNH-DOTOQJQBSA-N 1 3 303.450 2.130 20 0 DEADHO c1ccc(CCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000422732475 230180805 /nfs/dbraw/zinc/18/08/05/230180805.db2.gz OLOCQVTVCUUMPN-PKOBYXMFSA-N 1 3 309.413 2.470 20 0 DEADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccc2c(c1)OCCO2 ZINC000422759941 230194484 /nfs/dbraw/zinc/19/44/84/230194484.db2.gz PPOBVVZIQSVHRH-GFCCVEGCSA-N 1 3 313.401 2.471 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cc(F)ccc1N1CCOCC1 ZINC000422776787 230203987 /nfs/dbraw/zinc/20/39/87/230203987.db2.gz DXQAATUCBQMOGV-PBHICJAKSA-N 1 3 321.440 2.269 20 0 DEADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCCCOc1ccc(F)cc1 ZINC000422834337 230234254 /nfs/dbraw/zinc/23/42/54/230234254.db2.gz NSPTZCYKRNUHLJ-XKQJLSEDSA-N 1 3 310.413 2.327 20 0 DEADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCCCOc1ccc(F)cc1 ZINC000422834334 230234765 /nfs/dbraw/zinc/23/47/65/230234765.db2.gz NSPTZCYKRNUHLJ-IAOVAPTHSA-N 1 3 310.413 2.327 20 0 DEADHO COC1CCN(C2(CN[C@H](C)[C@@H]3CCC[NH2+]3)CCCC2)CC1 ZINC000422887398 230258618 /nfs/dbraw/zinc/25/86/18/230258618.db2.gz KWODZVFXOAFSEY-WBVHZDCISA-N 1 3 309.498 2.140 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000422897612 230267028 /nfs/dbraw/zinc/26/70/28/230267028.db2.gz CHFKSVROLLJQMO-AXFHLTTASA-N 1 3 321.248 2.449 20 0 DEADHO c1cc2c(cc1CCCNC1C[C@H]3CC[C@@H](C1)[NH2+]3)OCCO2 ZINC000422932373 230283480 /nfs/dbraw/zinc/28/34/80/230283480.db2.gz ZCFOHGAUYSSONG-XYPWUTKMSA-N 1 3 302.418 2.263 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1cccc(OC(F)F)c1 ZINC000422950386 230291531 /nfs/dbraw/zinc/29/15/31/230291531.db2.gz XWBQZRWRXAOQTM-LEWSCRJBSA-N 1 3 300.349 2.130 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cccc(CN2CCCC2=O)c1 ZINC000422961515 230296745 /nfs/dbraw/zinc/29/67/45/230296745.db2.gz ZAELHEOPFYPLPE-ROUUACIJSA-N 1 3 315.461 2.416 20 0 DEADHO c1ccc2c(c1)CC(CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000422979350 230303744 /nfs/dbraw/zinc/30/37/44/230303744.db2.gz JKIOIKAZZFBAHQ-GBESFXJTSA-N 1 3 300.446 2.148 20 0 DEADHO [NH3+]C[C@H]1CCC[C@H]1NCCOc1ncccc1C(F)(F)F ZINC000422996011 230309620 /nfs/dbraw/zinc/30/96/20/230309620.db2.gz KUGFMFPHHOLKCB-ZYHUDNBSSA-N 1 3 303.328 2.196 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000423027365 230323401 /nfs/dbraw/zinc/32/34/01/230323401.db2.gz DDRMWVVKDNZYIT-KSSFIOAISA-N 1 3 313.445 2.493 20 0 DEADHO c1c(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)nc2n1CCS2 ZINC000423067933 230337709 /nfs/dbraw/zinc/33/77/09/230337709.db2.gz IUONPCAAMULUKD-OWCLPIDISA-N 1 3 320.506 2.432 20 0 DEADHO Cc1c2ccccc2n(C)c1CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000423083326 230345644 /nfs/dbraw/zinc/34/56/44/230345644.db2.gz FUYMCDCKNAAINW-VNQPRFMTSA-N 1 3 301.434 2.329 20 0 DEADHO C[C@H](CC(=O)Nc1ccc2c(c1)CNCC2)[C@@H]1CCC[NH2+]C1 ZINC000429337041 533686032 /nfs/dbraw/zinc/68/60/32/533686032.db2.gz SFMQIDUKUBQMNP-UKRRQHHQSA-N 1 3 301.434 2.297 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)CCCC[NH+](C)C)C2)cc1 ZINC000634457368 424844209 /nfs/dbraw/zinc/84/42/09/424844209.db2.gz XEIKPLCCGOTTQB-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO CCN1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000126048317 424856048 /nfs/dbraw/zinc/85/60/48/424856048.db2.gz CACOWWKFAALNNI-UHFFFAOYSA-N 1 3 317.477 2.299 20 0 DEADHO NCc1cccc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000382473608 424909349 /nfs/dbraw/zinc/90/93/49/424909349.db2.gz GCNXLCITTIONLE-MRXNPFEDSA-N 1 3 302.422 2.237 20 0 DEADHO C[C@@H]1[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1Cc1ccccc1 ZINC000648905837 424926235 /nfs/dbraw/zinc/92/62/35/424926235.db2.gz SCFDDOKKSUKPFH-JOCBIADPSA-N 1 3 315.461 2.106 20 0 DEADHO C[C@@H]1[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1Cc1ccccc1 ZINC000648905837 424926239 /nfs/dbraw/zinc/92/62/39/424926239.db2.gz SCFDDOKKSUKPFH-JOCBIADPSA-N 1 3 315.461 2.106 20 0 DEADHO [NH3+]C1CCC(NCc2cccnc2OCC(F)(F)F)CC1 ZINC000415086993 424950265 /nfs/dbraw/zinc/95/02/65/424950265.db2.gz SMKWJQNUQSBYJV-UHFFFAOYSA-N 1 3 303.328 2.382 20 0 DEADHO C[N@H+](CCCNC(=O)[C@H]1CNCCC1(F)F)C1CCCCC1 ZINC000649293704 424985587 /nfs/dbraw/zinc/98/55/87/424985587.db2.gz FONLGJLULLDRAV-CQSZACIVSA-N 1 3 317.424 2.002 20 0 DEADHO C[N@@H+](CCCNC(=O)[C@H]1CNCCC1(F)F)C1CCCCC1 ZINC000649293704 424985590 /nfs/dbraw/zinc/98/55/90/424985590.db2.gz FONLGJLULLDRAV-CQSZACIVSA-N 1 3 317.424 2.002 20 0 DEADHO CC1(C)C[NH2+][C@@H]1C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000649293728 424986010 /nfs/dbraw/zinc/98/60/10/424986010.db2.gz GUEHPRMGTJIKCW-IAGOWNOFSA-N 1 3 315.461 2.328 20 0 DEADHO CCN(C(=O)[C@H]1CCC[NH2+]1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000649305995 424990028 /nfs/dbraw/zinc/99/00/28/424990028.db2.gz SMUXJMUGAWUNQW-RYQLBKOJSA-N 1 3 315.461 2.422 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000649363542 425001041 /nfs/dbraw/zinc/00/10/41/425001041.db2.gz FMQFKIKNQVFORG-TWMKSMIVSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C[C@@H]2CCC(=O)N2)CC1 ZINC000649552173 425040875 /nfs/dbraw/zinc/04/08/75/425040875.db2.gz ZJVRYUCNKGYIPX-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C[C@@H]2CCC(=O)N2)CC1 ZINC000649552173 425040877 /nfs/dbraw/zinc/04/08/77/425040877.db2.gz ZJVRYUCNKGYIPX-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2cccc3c2OCO3)C1 ZINC000650722497 425041996 /nfs/dbraw/zinc/04/19/96/425041996.db2.gz VVHOMSIECPMAPR-HLLBOEOZSA-N 1 3 318.417 2.276 20 0 DEADHO CC(C)n1cc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cn1 ZINC000650722793 425042610 /nfs/dbraw/zinc/04/26/10/425042610.db2.gz BINUPWQPVNXBQI-BBWFWOEESA-N 1 3 306.454 2.325 20 0 DEADHO C[NH2+]Cc1ccccc1CNCc1cc(OC)c(O)c(OC)c1 ZINC000650719941 425042760 /nfs/dbraw/zinc/04/27/60/425042760.db2.gz APARQBREBQQJOK-UHFFFAOYSA-N 1 3 316.401 2.419 20 0 DEADHO CC(C)O[C@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000649702723 425064956 /nfs/dbraw/zinc/06/49/56/425064956.db2.gz LRNYFPPXXJDJBX-SFHVURJKSA-N 1 3 311.514 2.292 20 0 DEADHO CC(C)O[C@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000649702723 425064959 /nfs/dbraw/zinc/06/49/59/425064959.db2.gz LRNYFPPXXJDJBX-SFHVURJKSA-N 1 3 311.514 2.292 20 0 DEADHO COC[C@H]1C[C@@H](O)CN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000649765048 425077421 /nfs/dbraw/zinc/07/74/21/425077421.db2.gz ZIYPSWWPUMUSEA-RTBURBONSA-N 1 3 318.461 2.254 20 0 DEADHO CCN1C[C@H](CN(C)CC[C@@H]2CC[NH2+]C2)Oc2ccccc21 ZINC000649411413 425013335 /nfs/dbraw/zinc/01/33/35/425013335.db2.gz UXNPNZYJXKOGGG-HOTGVXAUSA-N 1 3 303.450 2.205 20 0 DEADHO CC[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccncc1 ZINC000651228261 425119837 /nfs/dbraw/zinc/11/98/37/425119837.db2.gz FVNHDYIBKKKEEM-WMZOPIPTSA-N 1 3 302.466 2.291 20 0 DEADHO [NH3+]CCC[C@H](NCc1nc2c(s1)CNCC2)c1ccccc1 ZINC000663497013 425171869 /nfs/dbraw/zinc/17/18/69/425171869.db2.gz KSNDODAXCPONLX-AWEZNQCLSA-N 1 3 316.474 2.359 20 0 DEADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000660633057 425183803 /nfs/dbraw/zinc/18/38/03/425183803.db2.gz BFEPYXASWLHYIU-HUUCEWRRSA-N 1 3 310.486 2.033 20 0 DEADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000660633057 425183806 /nfs/dbraw/zinc/18/38/06/425183806.db2.gz BFEPYXASWLHYIU-HUUCEWRRSA-N 1 3 310.486 2.033 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCCC3(CCCC3)CC2)C1 ZINC000656786854 425189472 /nfs/dbraw/zinc/18/94/72/425189472.db2.gz BJEGXEPTEWLULA-MRXNPFEDSA-N 1 3 307.482 2.230 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCCC3(CCCC3)CC2)C1 ZINC000656786854 425189475 /nfs/dbraw/zinc/18/94/75/425189475.db2.gz BJEGXEPTEWLULA-MRXNPFEDSA-N 1 3 307.482 2.230 20 0 DEADHO CC(C)C[C@H](CN(C)C)NC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652130847 425192219 /nfs/dbraw/zinc/19/22/19/425192219.db2.gz BJXUMCKLYDKPGK-OAHLLOKOSA-N 1 3 324.444 2.060 20 0 DEADHO C[N@@H+]1CC[C@@]2(C1)CCCN(C[C@@H](O)CCc1ccccc1)C2 ZINC000660665661 425199933 /nfs/dbraw/zinc/19/99/33/425199933.db2.gz WYUJFSWZUNTZFC-RBUKOAKNSA-N 1 3 302.462 2.398 20 0 DEADHO C[N@H+]1CC[C@@]2(C1)CCCN(C[C@@H](O)CCc1ccccc1)C2 ZINC000660665661 425199939 /nfs/dbraw/zinc/19/99/39/425199939.db2.gz WYUJFSWZUNTZFC-RBUKOAKNSA-N 1 3 302.462 2.398 20 0 DEADHO CC(C)OCC[C@H](O)C[NH+]1CCC(NCc2ccccc2)CC1 ZINC000660675366 425202538 /nfs/dbraw/zinc/20/25/38/425202538.db2.gz JBVOSSQCSSBHCR-IBGZPJMESA-N 1 3 320.477 2.417 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCN(CCN(C)C)Cc2ccccn2)C1 ZINC000660680981 425204613 /nfs/dbraw/zinc/20/46/13/425204613.db2.gz YQLYBUSSAPXXJG-QZTJIDSGSA-N 1 3 318.509 2.423 20 0 DEADHO CC[NH+]1CCC(CCNCc2cnnn2-c2ccccc2)CC1 ZINC000651723296 425144842 /nfs/dbraw/zinc/14/48/42/425144842.db2.gz KNJMKEGXOHYVJS-UHFFFAOYSA-N 1 3 313.449 2.479 20 0 DEADHO CC(C)CN(CCN(C)C)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000652281223 425230128 /nfs/dbraw/zinc/23/01/28/425230128.db2.gz QQRGWVNAWBKVRV-UHFFFAOYSA-N 1 3 324.444 2.014 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](OC3CCC3)C2)CC1 ZINC000653812074 425234840 /nfs/dbraw/zinc/23/48/40/425234840.db2.gz AXXAJBWPBFCQCP-LJQANCHMSA-N 1 3 323.525 2.436 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](OC3CCC3)C2)CC1 ZINC000653812074 425234843 /nfs/dbraw/zinc/23/48/43/425234843.db2.gz AXXAJBWPBFCQCP-LJQANCHMSA-N 1 3 323.525 2.436 20 0 DEADHO CCCN1CC[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000660795720 425239294 /nfs/dbraw/zinc/23/92/94/425239294.db2.gz DIIZGWNSIODOFY-INIZCTEOSA-N 1 3 322.497 2.177 20 0 DEADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000660828292 425247713 /nfs/dbraw/zinc/24/77/13/425247713.db2.gz XAMNRKGMGWTGDX-GJZGRUSLSA-N 1 3 312.502 2.135 20 0 DEADHO C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000660825302 425247912 /nfs/dbraw/zinc/24/79/12/425247912.db2.gz UKYSWYTXIMHODR-HUUCEWRRSA-N 1 3 310.486 2.033 20 0 DEADHO C[NH2+]Cc1ccccc1CNC(=O)NCc1ccc2c(c1)CNC2 ZINC000652216558 425215144 /nfs/dbraw/zinc/21/51/44/425215144.db2.gz YWNGBBJHOQCFMG-UHFFFAOYSA-N 1 3 324.428 2.009 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)NCCC1(C[NH3+])CC1 ZINC000652234278 425220482 /nfs/dbraw/zinc/22/04/82/425220482.db2.gz YZXANANKHRBHLD-UHFFFAOYSA-N 1 3 324.513 2.413 20 0 DEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000661095501 425322556 /nfs/dbraw/zinc/32/25/56/425322556.db2.gz LJCOXZIASMNSMS-LSDHHAIUSA-N 1 3 324.513 2.279 20 0 DEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661095501 425322560 /nfs/dbraw/zinc/32/25/60/425322560.db2.gz LJCOXZIASMNSMS-LSDHHAIUSA-N 1 3 324.513 2.279 20 0 DEADHO Cc1cc(N[C@@H](C)C[N@H+](C)CCCN(C)C)nc(C2CC2)n1 ZINC000664196294 425329429 /nfs/dbraw/zinc/32/94/29/425329429.db2.gz JCYLLHVTAIJZSX-AWEZNQCLSA-N 1 3 305.470 2.346 20 0 DEADHO Cc1cc(N[C@@H](C)C[N@@H+](C)CCCN(C)C)nc(C2CC2)n1 ZINC000664196294 425329430 /nfs/dbraw/zinc/32/94/30/425329430.db2.gz JCYLLHVTAIJZSX-AWEZNQCLSA-N 1 3 305.470 2.346 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+]Cc2cc(COC)cs2)CC1 ZINC000657311178 425299726 /nfs/dbraw/zinc/29/97/26/425299726.db2.gz VALYGVWSLBEQNU-CQSZACIVSA-N 1 3 311.495 2.010 20 0 DEADHO CC[C@H]1C[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CO1 ZINC000657497067 425351274 /nfs/dbraw/zinc/35/12/74/425351274.db2.gz UFRMOBRRVIEKQU-MSOLQXFVSA-N 1 3 318.461 2.171 20 0 DEADHO Cc1cccc2c(NCC[N@@H+](C)CCCN(C)C)ncnc12 ZINC000664247593 425344366 /nfs/dbraw/zinc/34/43/66/425344366.db2.gz COYIREBPRYJZCP-UHFFFAOYSA-N 1 3 301.438 2.234 20 0 DEADHO Cc1cccc2c(NCC[N@H+](C)CCCN(C)C)ncnc12 ZINC000664247593 425344369 /nfs/dbraw/zinc/34/43/69/425344369.db2.gz COYIREBPRYJZCP-UHFFFAOYSA-N 1 3 301.438 2.234 20 0 DEADHO CN(C)CCC[N@H+](C)CCNc1ncnc2c(F)cccc12 ZINC000664247788 425344887 /nfs/dbraw/zinc/34/48/87/425344887.db2.gz HVBCYPRTDBEUBG-UHFFFAOYSA-N 1 3 305.401 2.064 20 0 DEADHO CN(C)CCC[N@@H+](C)CCNc1ncnc2c(F)cccc12 ZINC000664247788 425344888 /nfs/dbraw/zinc/34/48/88/425344888.db2.gz HVBCYPRTDBEUBG-UHFFFAOYSA-N 1 3 305.401 2.064 20 0 DEADHO C[C@H](NC(=O)N[C@H]1CCCN2CCCC[C@@H]12)C1CC[NH+](C)CC1 ZINC000654452466 425356631 /nfs/dbraw/zinc/35/66/31/425356631.db2.gz SMPXRUKDNZCHBS-XIRDDKMYSA-N 1 3 322.497 2.033 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000653049193 425389173 /nfs/dbraw/zinc/38/91/73/425389173.db2.gz YUQCHMHGMVAIDE-SJORKVTESA-N 1 3 303.450 2.316 20 0 DEADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@H]1CCC[NH2+]CC1 ZINC000653105910 425406270 /nfs/dbraw/zinc/40/62/70/425406270.db2.gz NCKFEACKYGAEKP-ZWKOTPCHSA-N 1 3 315.461 2.329 20 0 DEADHO CN1CCC(N2CCC([NH2+][C@@H]3CCCSCC3)CC2)CC1 ZINC000657863012 425410913 /nfs/dbraw/zinc/41/09/13/425410913.db2.gz HMQVCHTUFQMIHN-OAHLLOKOSA-N 1 3 311.539 2.420 20 0 DEADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cn(C)nc1C(C)(C)C ZINC000657573479 425368489 /nfs/dbraw/zinc/36/84/89/425368489.db2.gz OFMBFOIFOXZVRL-HNNXBMFYSA-N 1 3 323.529 2.079 20 0 DEADHO CCC[N@H+](C)CC(C)(C)NC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000664367115 425370796 /nfs/dbraw/zinc/37/07/96/425370796.db2.gz HBAKMMXQGAHTCD-ZIAGYGMSSA-N 1 3 310.486 2.031 20 0 DEADHO CCC[N@@H+](C)CC(C)(C)NC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000664367115 425370797 /nfs/dbraw/zinc/37/07/97/425370797.db2.gz HBAKMMXQGAHTCD-ZIAGYGMSSA-N 1 3 310.486 2.031 20 0 DEADHO Cc1ncccc1CNCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657594591 425372205 /nfs/dbraw/zinc/37/22/05/425372205.db2.gz IYBZOIDVCGGJFK-LJQANCHMSA-N 1 3 311.429 2.246 20 0 DEADHO Cc1ncccc1CNCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657594591 425372208 /nfs/dbraw/zinc/37/22/08/425372208.db2.gz IYBZOIDVCGGJFK-LJQANCHMSA-N 1 3 311.429 2.246 20 0 DEADHO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)CCO1 ZINC000657596143 425373316 /nfs/dbraw/zinc/37/33/16/425373316.db2.gz LHORJPPBJAVRTH-GBESFXJTSA-N 1 3 318.461 2.300 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653148594 425417535 /nfs/dbraw/zinc/41/75/35/425417535.db2.gz DSCCGMKQVVVNFO-GOSISDBHSA-N 1 3 317.477 2.486 20 0 DEADHO CCCN(C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1CCN(C)C1 ZINC000654737295 425430497 /nfs/dbraw/zinc/43/04/97/425430497.db2.gz NVADXUOIESVARS-BRWVUGGUSA-N 1 3 322.497 2.129 20 0 DEADHO CCCN(C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1CCN(C)C1 ZINC000654737295 425430501 /nfs/dbraw/zinc/43/05/01/425430501.db2.gz NVADXUOIESVARS-BRWVUGGUSA-N 1 3 322.497 2.129 20 0 DEADHO C[NH+](C)CCCC(C)(C)NC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654738999 425431481 /nfs/dbraw/zinc/43/14/81/425431481.db2.gz WELMCCOVUFJYBI-HZPDHXFCSA-N 1 3 324.513 2.423 20 0 DEADHO CC[C@H]([NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1)[C@@H]1CCOC1 ZINC000658140307 425444213 /nfs/dbraw/zinc/44/42/13/425444213.db2.gz PSIYLPGAFGYOBY-QRVBRYPASA-N 1 3 318.461 2.158 20 0 DEADHO C[C@H](CN1CCC(C)CC1)[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000658240204 425459016 /nfs/dbraw/zinc/45/90/16/425459016.db2.gz QWQAAGIXSWWRJT-IEBWSBKVSA-N 1 3 323.525 2.340 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2C[C@@H](O)C23CCC3)[C@H](C)C1 ZINC000658255709 425462414 /nfs/dbraw/zinc/46/24/14/425462414.db2.gz SHEYUTMWLWZLJD-YYIAUSFCSA-N 1 3 310.482 2.017 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2C[C@@H](O)C23CCC3)[C@H](C)C1 ZINC000658255709 425462418 /nfs/dbraw/zinc/46/24/18/425462418.db2.gz SHEYUTMWLWZLJD-YYIAUSFCSA-N 1 3 310.482 2.017 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NC3CC=CC3)CC2)CC1 ZINC000654895567 425463172 /nfs/dbraw/zinc/46/31/72/425463172.db2.gz ZPVPKHBNRCDGMT-UHFFFAOYSA-N 1 3 305.466 2.018 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000655269600 425525867 /nfs/dbraw/zinc/52/58/67/425525867.db2.gz REGGYEJVHMSDSM-UHFFFAOYSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H]1CN(C2CC2)C[C@@H]1N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665257785 425530663 /nfs/dbraw/zinc/53/06/63/425530663.db2.gz UWXPFGQZFGVADM-CJODITQLSA-N 1 3 317.452 2.344 20 0 DEADHO Nc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000665272810 425533535 /nfs/dbraw/zinc/53/35/35/425533535.db2.gz LTSMPIJAMCKXHK-XLAORIBOSA-N 1 3 301.434 2.003 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000655410709 425556715 /nfs/dbraw/zinc/55/67/15/425556715.db2.gz AIAXHDSEEOQQEX-IXDOHACOSA-N 1 3 307.482 2.384 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000655410709 425556717 /nfs/dbraw/zinc/55/67/17/425556717.db2.gz AIAXHDSEEOQQEX-IXDOHACOSA-N 1 3 307.482 2.384 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000655410706 425556831 /nfs/dbraw/zinc/55/68/31/425556831.db2.gz AIAXHDSEEOQQEX-BRWVUGGUSA-N 1 3 307.482 2.384 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000655410706 425556833 /nfs/dbraw/zinc/55/68/33/425556833.db2.gz AIAXHDSEEOQQEX-BRWVUGGUSA-N 1 3 307.482 2.384 20 0 DEADHO CN(CCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21)Cc1ccccc1 ZINC000659288157 425566917 /nfs/dbraw/zinc/56/69/17/425566917.db2.gz CLIQWYLNYTTYIN-IBGZPJMESA-N 1 3 323.440 2.469 20 0 DEADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655449212 425569929 /nfs/dbraw/zinc/56/99/29/425569929.db2.gz PKHWQNGBCZGMPQ-MAUKXSAKSA-N 1 3 301.434 2.385 20 0 DEADHO CC1CCC(N2CCN(C(=O)[C@@H]3C[C@]34CCC[NH2+]C4)CC2)CC1 ZINC000655448359 425570345 /nfs/dbraw/zinc/57/03/45/425570345.db2.gz GIJNMRNAIGTHPI-AKSNENBUSA-N 1 3 319.493 2.099 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)NCc1ccc2c(c1)C[NH2+]C2 ZINC000659305789 425572961 /nfs/dbraw/zinc/57/29/61/425572961.db2.gz YQAPBWPQGLKEMO-SFHVURJKSA-N 1 3 307.397 2.141 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655467777 425575442 /nfs/dbraw/zinc/57/54/42/425575442.db2.gz JNSXPRIPLKKTKM-PKOBYXMFSA-N 1 3 321.509 2.347 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000655494466 425581451 /nfs/dbraw/zinc/58/14/51/425581451.db2.gz CMHZBQKJDBYVDA-KRWDZBQOSA-N 1 3 315.461 2.206 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000655494709 425581704 /nfs/dbraw/zinc/58/17/04/425581704.db2.gz NKBKHDUKPBCJLE-INIZCTEOSA-N 1 3 303.450 2.409 20 0 DEADHO CN[C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659381836 425589419 /nfs/dbraw/zinc/58/94/19/425589419.db2.gz MXBRDCXHIBNKPN-DOTOQJQBSA-N 1 3 315.461 2.013 20 0 DEADHO CN[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659381836 425589421 /nfs/dbraw/zinc/58/94/21/425589421.db2.gz MXBRDCXHIBNKPN-DOTOQJQBSA-N 1 3 315.461 2.013 20 0 DEADHO CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC1 ZINC000665555355 425596203 /nfs/dbraw/zinc/59/62/03/425596203.db2.gz CAVBMEXPMZWINH-OAHLLOKOSA-N 1 3 310.486 2.031 20 0 DEADHO C[NH2+]C[C@@H](C)NC(=O)NCc1ccccc1CN1CCCCC1 ZINC000659429295 425601715 /nfs/dbraw/zinc/60/17/15/425601715.db2.gz PTEMBNIDGUFPPK-OAHLLOKOSA-N 1 3 318.465 2.080 20 0 DEADHO COc1cccc(C2CC[NH+](C[C@H]3CCC4(CNC4)O3)CC2)c1 ZINC000662255136 425602030 /nfs/dbraw/zinc/60/20/30/425602030.db2.gz AIVVJEKHPKCGQQ-GOSISDBHSA-N 1 3 316.445 2.396 20 0 DEADHO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662256346 425604685 /nfs/dbraw/zinc/60/46/85/425604685.db2.gz IKKKAFQYBNQEQC-NJAFHUGGSA-N 1 3 300.446 2.461 20 0 DEADHO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662256346 425604687 /nfs/dbraw/zinc/60/46/87/425604687.db2.gz IKKKAFQYBNQEQC-NJAFHUGGSA-N 1 3 300.446 2.461 20 0 DEADHO C[N@H+](C[C@@H]1CCC2(CNC2)O1)[C@H]1CCCN(c2ccccc2)C1 ZINC000662263116 425605695 /nfs/dbraw/zinc/60/56/95/425605695.db2.gz KWDNKZKLTRWHPM-ROUUACIJSA-N 1 3 315.461 2.108 20 0 DEADHO C[N@@H+](C[C@@H]1CCC2(CNC2)O1)[C@H]1CCCN(c2ccccc2)C1 ZINC000662263116 425605700 /nfs/dbraw/zinc/60/57/00/425605700.db2.gz KWDNKZKLTRWHPM-ROUUACIJSA-N 1 3 315.461 2.108 20 0 DEADHO C[NH2+]C[C@@H](C)NC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000659454906 425607314 /nfs/dbraw/zinc/60/73/14/425607314.db2.gz PSGFPUWIWFFCCZ-ZIAGYGMSSA-N 1 3 306.454 2.023 20 0 DEADHO C[NH2+]C[C@H](C)NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000659456890 425607798 /nfs/dbraw/zinc/60/77/98/425607798.db2.gz SOGDNXQHYUQBLX-LSDHHAIUSA-N 1 3 318.465 2.119 20 0 DEADHO C[C@H](CC[NH2+]C1CCN(C[C@H]2CCCO2)CC1)N1CCCCC1 ZINC000655754422 425646819 /nfs/dbraw/zinc/64/68/19/425646819.db2.gz QEEYUEAQVPHDES-IEBWSBKVSA-N 1 3 323.525 2.484 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000662425351 425647022 /nfs/dbraw/zinc/64/70/22/425647022.db2.gz FXAQCDWPZFEXQZ-HNNXBMFYSA-N 1 3 309.479 2.074 20 0 DEADHO C[C@@H]([NH3+])c1ccc(CNC(=O)c2cc3c(s2)CCNC3)cc1 ZINC000662430255 425648424 /nfs/dbraw/zinc/64/84/24/425648424.db2.gz ONTUSAOIMZIHMA-LLVKDONJSA-N 1 3 315.442 2.344 20 0 DEADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cccc2c1CNC2 ZINC000662453010 425653920 /nfs/dbraw/zinc/65/39/20/425653920.db2.gz RRPWXRSOMWZCKF-ZIAGYGMSSA-N 1 3 301.434 2.283 20 0 DEADHO CC(C)NCC(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000662466569 425658625 /nfs/dbraw/zinc/65/86/25/425658625.db2.gz UBULUKXJJZTGRD-UHFFFAOYSA-N 1 3 313.829 2.217 20 0 DEADHO O=C(c1cccc2c1CNC2)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662524073 425674227 /nfs/dbraw/zinc/67/42/27/425674227.db2.gz UDYAHEDTSBUEEX-HOCLYGCPSA-N 1 3 313.445 2.142 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662523693 425674677 /nfs/dbraw/zinc/67/46/77/425674677.db2.gz QXFSBXWAJWFJNF-KYJSFNMBSA-N 1 3 313.445 2.069 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCC1([NH3+])CCCC1 ZINC000659477833 425611962 /nfs/dbraw/zinc/61/19/62/425611962.db2.gz ODEMPAANLVHYDI-OAHLLOKOSA-N 1 3 318.465 2.078 20 0 DEADHO CC[C@H](CC(F)F)C[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000662283493 425612888 /nfs/dbraw/zinc/61/28/88/425612888.db2.gz UECUEGJPCJANTL-YPMHNXCESA-N 1 3 301.385 2.055 20 0 DEADHO CC[C@H](CC(F)F)C[N@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000662283493 425612891 /nfs/dbraw/zinc/61/28/91/425612891.db2.gz UECUEGJPCJANTL-YPMHNXCESA-N 1 3 301.385 2.055 20 0 DEADHO CCC(C)(C)NC(=O)[C@@H](C)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290842 425614701 /nfs/dbraw/zinc/61/47/01/425614701.db2.gz LUYWBGUCQCFWJI-GDBMZVCRSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCC[C@H](C3CC[NH2+]CC3)C2)C1 ZINC000662294118 425615880 /nfs/dbraw/zinc/61/58/80/425615880.db2.gz JDTSXFCGLNSGHP-JZXOWHBKSA-N 1 3 321.509 2.203 20 0 DEADHO CCC[C@H](C)NC(=O)[C@@H](C)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294532 425616547 /nfs/dbraw/zinc/61/65/47/425616547.db2.gz CGCFNXCMSYHJSX-UXLLHSPISA-N 1 3 309.498 2.391 20 0 DEADHO O=C(CN1CCC[C@@H](C2CC[NH2+]CC2)C1)NCC1CCCCC1 ZINC000662292824 425616870 /nfs/dbraw/zinc/61/68/70/425616870.db2.gz AGEKTZBCQYYAQO-GOSISDBHSA-N 1 3 321.509 2.395 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN2CCCC[C@H]2[C@H](C)CO)cc1 ZINC000662301778 425619130 /nfs/dbraw/zinc/61/91/30/425619130.db2.gz UGTSXKYNDPXRQC-KYJSFNMBSA-N 1 3 306.450 2.220 20 0 DEADHO CN(C)[C@H](CNC1CC[NH+]([C@H]2CCOC2)CC1)c1cccs1 ZINC000655689862 425629739 /nfs/dbraw/zinc/62/97/39/425629739.db2.gz DMMHUIQYZPTHEJ-JKSUJKDBSA-N 1 3 323.506 2.194 20 0 DEADHO CN(C)[C@@H](C[NH2+]C1CCN([C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000655692319 425630373 /nfs/dbraw/zinc/63/03/73/425630373.db2.gz OMFDGHJITRZYBU-MOPGFXCFSA-N 1 3 323.525 2.340 20 0 DEADHO CC[C@@H](C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)N1CCCC1 ZINC000655688048 425630465 /nfs/dbraw/zinc/63/04/65/425630465.db2.gz HPWFGACIQQBFJC-ZWKOTPCHSA-N 1 3 309.498 2.094 20 0 DEADHO CN(C)[C@@H](CNC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccsc1 ZINC000655695347 425632022 /nfs/dbraw/zinc/63/20/22/425632022.db2.gz JZDHXPKRNBNGEV-SJORKVTESA-N 1 3 323.506 2.194 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCNC(=O)C[C@@H]1NCc2ccccc21 ZINC000662387102 425638703 /nfs/dbraw/zinc/63/87/03/425638703.db2.gz HNGQZWYJRPQUBY-YOEHRIQHSA-N 1 3 301.434 2.212 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCNC(=O)C[C@@H]1NCc2ccccc21 ZINC000662387102 425638707 /nfs/dbraw/zinc/63/87/07/425638707.db2.gz HNGQZWYJRPQUBY-YOEHRIQHSA-N 1 3 301.434 2.212 20 0 DEADHO CC(C)[C@H]([NH3+])CCNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000659625687 425639941 /nfs/dbraw/zinc/63/99/41/425639941.db2.gz XNCRJFSBNOGJQS-QGZVFWFLSA-N 1 3 324.513 2.267 20 0 DEADHO C[NH+](C)Cc1cccc(CNC(=O)C2(N)CC3(CCC3)C2)c1 ZINC000662672812 425708917 /nfs/dbraw/zinc/70/89/17/425708917.db2.gz FOHQPLNIEIVNHC-UHFFFAOYSA-N 1 3 301.434 2.026 20 0 DEADHO NC1(C(=O)N2CCC([NH+]3CCCCC3)CC2)CC2(CCC2)C1 ZINC000662673290 425709425 /nfs/dbraw/zinc/70/94/25/425709425.db2.gz KDKKDJBVLMUCMO-UHFFFAOYSA-N 1 3 305.466 2.125 20 0 DEADHO C[NH+](C)CC[C@H](NC(=O)c1cc2c(s1)CCNC2)C(C)(C)C ZINC000662732621 425723566 /nfs/dbraw/zinc/72/35/66/425723566.db2.gz FOPSWZZKYXXGTH-HNNXBMFYSA-N 1 3 323.506 2.490 20 0 DEADHO C[NH+](C)CC[C@H](NC(=O)c1cccc2c1CCNC2)C(C)(C)C ZINC000662733505 425725069 /nfs/dbraw/zinc/72/50/69/425725069.db2.gz KVKHCXIXKPKSNQ-KRWDZBQOSA-N 1 3 317.477 2.429 20 0 DEADHO CC[C@H](CC(F)F)C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000660057422 425726302 /nfs/dbraw/zinc/72/63/02/425726302.db2.gz QGVOEBTWXCQVQA-CYBMUJFWSA-N 1 3 319.440 2.058 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H](c2cccc(F)c2)N2CCOCC2)C1 ZINC000656196086 425728709 /nfs/dbraw/zinc/72/87/09/425728709.db2.gz YHUBMFFPWKGYKD-SQNIBIBYSA-N 1 3 321.440 2.059 20 0 DEADHO C[NH2+]C[C@H](C)NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000662966119 425767977 /nfs/dbraw/zinc/76/79/77/425767977.db2.gz PLYMERXNUIVQMX-HOTGVXAUSA-N 1 3 317.477 2.054 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662883441 425756292 /nfs/dbraw/zinc/75/62/92/425756292.db2.gz KBKDAKUWOGPJTN-CKEIUWERSA-N 1 3 317.433 2.159 20 0 DEADHO C[C@@H]1CCCN(C(=O)[C@H]2CNCc3ccccc32)[C@@H]1CCC[NH3+] ZINC000662892904 425759022 /nfs/dbraw/zinc/75/90/22/425759022.db2.gz PCEODYWXWDTTTK-FHLIZLRMSA-N 1 3 315.461 2.239 20 0 DEADHO C[NH2+]C1CCN(c2ccnc3cc(OC)c(OC)cc32)CC1 ZINC000663241000 425820997 /nfs/dbraw/zinc/82/09/97/425820997.db2.gz YCVCTVLGDFOTLR-UHFFFAOYSA-N 1 3 301.390 2.440 20 0 DEADHO CC(C)c1cccc(C[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)c1 ZINC000663315486 425827626 /nfs/dbraw/zinc/82/76/26/425827626.db2.gz KOPVWFWSCFWIFO-GOSISDBHSA-N 1 3 317.477 2.487 20 0 DEADHO CCCN1CCN(c2ccccc2C[NH2+]CCOCCF)CC1 ZINC000663340546 425830120 /nfs/dbraw/zinc/83/01/20/425830120.db2.gz PTBWJLXDCPBQAF-UHFFFAOYSA-N 1 3 323.456 2.294 20 0 DEADHO C[C@H]1CN(C(=O)NCCN2CCC3(CCCCC3)CC2)C[C@H]1[NH3+] ZINC000333719835 268982700 /nfs/dbraw/zinc/98/27/00/268982700.db2.gz GLCDBKUXEVBOQS-JKSUJKDBSA-N 1 3 322.497 2.021 20 0 DEADHO CSCC[C@H](CO)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000358307086 269041737 /nfs/dbraw/zinc/04/17/37/269041737.db2.gz UTBNQDJWCWFNMC-OAHLLOKOSA-N 1 3 300.512 2.487 20 0 DEADHO C[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]1)N(C)Cc1ccccc1 ZINC000390718037 269098034 /nfs/dbraw/zinc/09/80/34/269098034.db2.gz LTSDRKUEKJAOJM-DOTOQJQBSA-N 1 3 303.450 2.155 20 0 DEADHO OC1(C[NH2+]C[C@H]2CCCOC2)CCN(Cc2ccccc2)CC1 ZINC000397527752 269106971 /nfs/dbraw/zinc/10/69/71/269106971.db2.gz XKSRTVGKZBYRBJ-GOSISDBHSA-N 1 3 318.461 2.030 20 0 DEADHO CS(=O)(=O)CC1CCC(N[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000423142903 269115761 /nfs/dbraw/zinc/11/57/61/269115761.db2.gz BOXFPKWIBSVTDF-SMELUJQZSA-N 1 3 322.474 2.324 20 0 DEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CCN(C3CC3)CC2)C[C@H]1C ZINC000426787969 269120759 /nfs/dbraw/zinc/12/07/59/269120759.db2.gz JEYREBBKWOJIPR-RHSMWYFYSA-N 1 3 307.482 2.192 20 0 DEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C2CCN(C3CC3)CC2)C[C@H]1C ZINC000426787969 269120760 /nfs/dbraw/zinc/12/07/60/269120760.db2.gz JEYREBBKWOJIPR-RHSMWYFYSA-N 1 3 307.482 2.192 20 0 DEADHO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCC[C@H]1CN ZINC000430551421 269134611 /nfs/dbraw/zinc/13/46/11/269134611.db2.gz HYTSAFLYYHFMSG-LBPRGKRZSA-N 1 3 311.813 2.100 20 0 DEADHO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCC[C@H]1CN ZINC000430551421 269134612 /nfs/dbraw/zinc/13/46/12/269134612.db2.gz HYTSAFLYYHFMSG-LBPRGKRZSA-N 1 3 311.813 2.100 20 0 DEADHO CC(C)COC(=O)N1CCCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000496883408 269262326 /nfs/dbraw/zinc/26/23/26/269262326.db2.gz LSNKLURZESERCF-MRXNPFEDSA-N 1 3 311.470 2.176 20 0 DEADHO CCOC[C@@H](O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499250002 269303858 /nfs/dbraw/zinc/30/38/58/269303858.db2.gz LADYKAQZOJBDAM-RDGPPVDQSA-N 1 3 318.461 2.169 20 0 DEADHO CCOC[C@@H](O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499250002 269303859 /nfs/dbraw/zinc/30/38/59/269303859.db2.gz LADYKAQZOJBDAM-RDGPPVDQSA-N 1 3 318.461 2.169 20 0 DEADHO C[C@H](Cc1ccsc1)[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000515473859 269350766 /nfs/dbraw/zinc/35/07/66/269350766.db2.gz BKOURWDNPXBTGD-CQSZACIVSA-N 1 3 323.506 2.069 20 0 DEADHO COc1ccc2c(c1)OC[C@H](N[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)C2 ZINC000271576646 274130977 /nfs/dbraw/zinc/13/09/77/274130977.db2.gz WLMHDFIJTVMGMR-TZDHZFECSA-N 1 3 304.434 2.317 20 0 DEADHO COc1ccc2c(c1)OC[C@H](N[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)C2 ZINC000271576646 274130978 /nfs/dbraw/zinc/13/09/78/274130978.db2.gz WLMHDFIJTVMGMR-TZDHZFECSA-N 1 3 304.434 2.317 20 0 DEADHO COc1ccccc1NC(=O)C[C@@H](C)NC[C@@H]1CCC[NH2+]C1 ZINC000423202070 274161303 /nfs/dbraw/zinc/16/13/03/274161303.db2.gz AKCZCZASLUTJNT-ZIAGYGMSSA-N 1 3 305.422 2.002 20 0 DEADHO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCNC1 ZINC000423202070 274161304 /nfs/dbraw/zinc/16/13/04/274161304.db2.gz AKCZCZASLUTJNT-ZIAGYGMSSA-N 1 3 305.422 2.002 20 0 DEADHO O[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248416254 275053622 /nfs/dbraw/zinc/05/36/22/275053622.db2.gz PBRXQUQZMRVYPE-BRIYLRKRSA-N 1 3 300.446 2.400 20 0 DEADHO Brc1ccc2c(c1)CC[C@H](N[C@@H]1[C@H]3C[NH2+]C[C@H]31)C2 ZINC000423421085 275370991 /nfs/dbraw/zinc/37/09/91/275370991.db2.gz CAOYNSMFTOHRBG-BYNSBNAKSA-N 1 3 307.235 2.114 20 0 DEADHO CC(C)(CNC(=O)NC[C@H](N)c1ccccc1)[NH+]1CCCCC1 ZINC000416826196 275548627 /nfs/dbraw/zinc/54/86/27/275548627.db2.gz JXDXDDJKKBDNKZ-INIZCTEOSA-N 1 3 318.465 2.250 20 0 DEADHO CC(C)[C@H](O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000340280961 276024320 /nfs/dbraw/zinc/02/43/20/276024320.db2.gz VRWTZGPWGHMXAX-JFIYKMOQSA-N 1 3 312.498 2.215 20 0 DEADHO CC[NH+](CC)CCCNC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000291445985 276325668 /nfs/dbraw/zinc/32/56/68/276325668.db2.gz LEVNSCADOKYMHW-CVEARBPZSA-N 1 3 318.417 2.139 20 0 DEADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC000370047731 276348139 /nfs/dbraw/zinc/34/81/39/276348139.db2.gz ZYVUOWLJJYWSQY-HNNXBMFYSA-N 1 3 307.482 2.242 20 0 DEADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC000370047731 276348140 /nfs/dbraw/zinc/34/81/40/276348140.db2.gz ZYVUOWLJJYWSQY-HNNXBMFYSA-N 1 3 307.482 2.242 20 0 DEADHO CN1CCC(O)(C[NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000269065680 277032585 /nfs/dbraw/zinc/03/25/85/277032585.db2.gz VKKCLZXRSSGBOS-AWEZNQCLSA-N 1 3 310.438 2.409 20 0 DEADHO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC(C[NH3+])CC1 ZINC000430627037 277550470 /nfs/dbraw/zinc/55/04/70/277550470.db2.gz LULKJLJPLBXFOE-GOBPUOAWSA-N 1 3 319.493 2.131 20 0 DEADHO CO[C@H]1COCC[C@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000449457109 277751730 /nfs/dbraw/zinc/75/17/30/277751730.db2.gz NJQPYBGAWLKCFJ-YJBOKZPZSA-N 1 3 310.482 2.425 20 0 DEADHO CC(=O)N1CC[C@H]([NH2+]C[C@H](C)CN(C)C)c2ccccc2C1 ZINC000425943354 278056274 /nfs/dbraw/zinc/05/62/74/278056274.db2.gz IMNDOCBZBDHFER-KSSFIOAISA-N 1 3 303.450 2.267 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000343872863 278179609 /nfs/dbraw/zinc/17/96/09/278179609.db2.gz MRCJSXNCDHSQCL-HLLBOEOZSA-N 1 3 303.450 2.011 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000079116346 278252461 /nfs/dbraw/zinc/25/24/61/278252461.db2.gz WVGBEWGASJNVEX-INIZCTEOSA-N 1 3 324.513 2.472 20 0 DEADHO C[C@H]1CC2(CN1CC(=O)N[C@@H]1CCCC[C@H]1C)CC[NH2+]CC2 ZINC000424295120 278327901 /nfs/dbraw/zinc/32/79/01/278327901.db2.gz QRUCOASSXKTDLJ-OWCLPIDISA-N 1 3 307.482 2.145 20 0 DEADHO CC1CCN(CC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000119969938 278537852 /nfs/dbraw/zinc/53/78/52/278537852.db2.gz DDGRUXJWONKIED-QGZVFWFLSA-N 1 3 307.482 2.195 20 0 DEADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3CCCCN3)C2)CC1 ZINC000236625522 278546655 /nfs/dbraw/zinc/54/66/55/278546655.db2.gz YOKPWVXVQLRDFM-DLBZAZTESA-N 1 3 307.482 2.099 20 0 DEADHO CC1CCN([C@@H](CNC(=O)[C@@H]2CC[NH2+]C2)c2cccs2)CC1 ZINC000236652300 278550452 /nfs/dbraw/zinc/55/04/52/278550452.db2.gz GHGBKIRNOMTNLQ-CABCVRRESA-N 1 3 321.490 2.247 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000275126225 278566143 /nfs/dbraw/zinc/56/61/43/278566143.db2.gz LGLSLCGKWITXFF-CRAIPNDOSA-N 1 3 315.461 2.013 20 0 DEADHO CCCC[C@@H](N)C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000449645500 278726174 /nfs/dbraw/zinc/72/61/74/278726174.db2.gz KLZIKVFTYJYABJ-USXIJHARSA-N 1 3 321.440 2.153 20 0 DEADHO CCCN(C(=O)[C@@H](C)[C@H](N)c1ccccc1)C1CC[NH2+]CC1 ZINC000236812776 278746623 /nfs/dbraw/zinc/74/66/23/278746623.db2.gz VGOMZAJHEVCBMV-YOEHRIQHSA-N 1 3 303.450 2.313 20 0 DEADHO CC(C)C[C@@H](CN(C)C)NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000417084358 278971993 /nfs/dbraw/zinc/97/19/93/278971993.db2.gz ACRZMXOAMVWWQA-GJZGRUSLSA-N 1 3 312.502 2.040 20 0 DEADHO CCN(Cc1ccc(C(=O)N2CCC[C@@H]([NH3+])C2)cc1)C1CC1 ZINC000158399207 279234662 /nfs/dbraw/zinc/23/46/62/279234662.db2.gz GHIXHVONFFIJAA-MRXNPFEDSA-N 1 3 301.434 2.234 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000245897448 279266759 /nfs/dbraw/zinc/26/67/59/279266759.db2.gz ISNJYZSJFATLAS-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000245897448 279266761 /nfs/dbraw/zinc/26/67/61/279266761.db2.gz ISNJYZSJFATLAS-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)[N@H+](C)CCNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000352721949 279357945 /nfs/dbraw/zinc/35/79/45/279357945.db2.gz MXMWSUXVIPBIOA-NVXWUHKLSA-N 1 3 320.481 2.317 20 0 DEADHO CC(C)[N@@H+](C)CCNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000352721949 279357948 /nfs/dbraw/zinc/35/79/48/279357948.db2.gz MXMWSUXVIPBIOA-NVXWUHKLSA-N 1 3 320.481 2.317 20 0 DEADHO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000237960781 279679396 /nfs/dbraw/zinc/67/93/96/279679396.db2.gz WAFJWKBXJZBHQT-BBWFWOEESA-N 1 3 301.434 2.067 20 0 DEADHO C[C@H]1[C@H](NC(=O)NC(C)(C)CC[NH3+])CCN1Cc1ccccc1 ZINC000422623548 280117990 /nfs/dbraw/zinc/11/79/90/280117990.db2.gz WMSGVBKFUUZRMD-GOEBONIOSA-N 1 3 318.465 2.076 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)N1CCCCC1 ZINC000342715936 280164744 /nfs/dbraw/zinc/16/47/44/280164744.db2.gz PYKLZRZJSYTPSS-LUKYLMHMSA-N 1 3 307.482 2.083 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000236651451 280236970 /nfs/dbraw/zinc/23/69/70/280236970.db2.gz XARGGYGJWQAKLM-DLBZAZTESA-N 1 3 303.450 2.171 20 0 DEADHO Cc1cc(C)c(NC(=O)CN(C)CC2CC[NH2+]CC2)c(C)c1 ZINC000237187795 280391143 /nfs/dbraw/zinc/39/11/43/280391143.db2.gz CESBKYJFOIQBKK-UHFFFAOYSA-N 1 3 303.450 2.482 20 0 DEADHO CC(C)c1ccc([C@@H](N)C[NH2+][C@H](C)C[C@H]2COCCN2)cc1 ZINC000423240135 280615371 /nfs/dbraw/zinc/61/53/71/280615371.db2.gz KOHLGSNWUCVYDP-JLSDUUJJSA-N 1 3 305.466 2.166 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC000130710690 281947610 /nfs/dbraw/zinc/94/76/10/281947610.db2.gz GUPVIGRONHYHPK-CVEARBPZSA-N 1 3 315.461 2.328 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000133933202 282029308 /nfs/dbraw/zinc/02/93/08/282029308.db2.gz POYPXEAEDDFFBK-WBVHZDCISA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000133933202 282029313 /nfs/dbraw/zinc/02/93/13/282029313.db2.gz POYPXEAEDDFFBK-WBVHZDCISA-N 1 3 324.513 2.279 20 0 DEADHO C[C@H](C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)N1CCCCCC1 ZINC000353045322 289262477 /nfs/dbraw/zinc/26/24/77/289262477.db2.gz GXKVVCFHOUVLOE-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO CN(C)[C@@H]1CCCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000176025296 289291779 /nfs/dbraw/zinc/29/17/79/289291779.db2.gz HGQXXDOVOKJCSE-QGZVFWFLSA-N 1 3 322.497 2.129 20 0 DEADHO CN(C)[C@@H]1CCCN(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000105126321 289355129 /nfs/dbraw/zinc/35/51/29/289355129.db2.gz URYKYJCQXDSUJB-IAGOWNOFSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)[C@H](C(=O)NCC1(C)CC[NH+](CCCF)CC1)N(C)C ZINC001423667851 1173477975 /nfs/dbraw/zinc/47/79/75/1173477975.db2.gz CAKGYHBTUCBUNW-OAHLLOKOSA-N 1 3 315.477 2.151 20 0 DEADHO COc1ccc(CCN[C@H]2CC[NH2+]CC[C@H]2C)c(OC)c1OC ZINC000422709403 295122000 /nfs/dbraw/zinc/12/20/00/295122000.db2.gz ZFMDJTASMCQZEY-HIFRSBDPSA-N 1 3 322.449 2.233 20 0 DEADHO COc1ccc(CC[NH2+][C@H]2CCNCC[C@H]2C)c(OC)c1OC ZINC000422709403 295122002 /nfs/dbraw/zinc/12/20/02/295122002.db2.gz ZFMDJTASMCQZEY-HIFRSBDPSA-N 1 3 322.449 2.233 20 0 DEADHO COc1cccc([C@H](CNC(=O)CC[C@H](C)[NH3+])N2CCCC2)c1 ZINC000193291540 295325352 /nfs/dbraw/zinc/32/53/52/295325352.db2.gz ZDZCKDOZRKQIKJ-YOEHRIQHSA-N 1 3 319.449 2.076 20 0 DEADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000418649050 298268949 /nfs/dbraw/zinc/26/89/49/298268949.db2.gz VMRXWMKGJKEHJP-ZBFHGGJFSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@H](CC(C)(C)O)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423154113 298325670 /nfs/dbraw/zinc/32/56/70/298325670.db2.gz HEFSJUUSHGQSJD-QIIPPGSGSA-N 1 3 304.434 2.381 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)C23CCC[NH+]2CCC3)N(C)C)cc1 ZINC000278923158 301714886 /nfs/dbraw/zinc/71/48/86/301714886.db2.gz SBWLKIXIQCFNMP-QGZVFWFLSA-N 1 3 315.461 2.342 20 0 DEADHO [NH3+]CC1(CC(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000423306563 303370357 /nfs/dbraw/zinc/37/03/57/303370357.db2.gz LUBRJOYWWXLIFR-ZDUSSCGKSA-N 1 3 307.463 2.130 20 0 DEADHO NC[C@H]1CCC[C@@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000422821451 303424680 /nfs/dbraw/zinc/42/46/80/303424680.db2.gz WHEQVWVSHKEQKG-KGLIPLIRSA-N 1 3 307.404 2.368 20 0 DEADHO CCC[NH2+]C1(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CCC1 ZINC001424212126 1173703133 /nfs/dbraw/zinc/70/31/33/1173703133.db2.gz HQNLCKKREAWBPM-QGZVFWFLSA-N 1 3 313.461 2.237 20 0 DEADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccc(OC)cc2F)CC1 ZINC000568030037 325902648 /nfs/dbraw/zinc/90/26/48/325902648.db2.gz FNQWNSQLWICTKY-HNNXBMFYSA-N 1 3 323.456 2.198 20 0 DEADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CCCc1ccccc1)CCN(C)C ZINC000572480451 325939425 /nfs/dbraw/zinc/93/94/25/325939425.db2.gz MPNOXVBGOJKTGP-WMZOPIPTSA-N 1 3 317.477 2.007 20 0 DEADHO [NH3+][C@H]1CCC[C@@H](NCCc2ccc(OCC(F)(F)F)nc2)C1 ZINC000573267044 326039650 /nfs/dbraw/zinc/03/96/50/326039650.db2.gz XZXDAKGPEGCIED-QWHCGFSZSA-N 1 3 317.355 2.425 20 0 DEADHO N[C@H]1CCC[C@@H]([NH2+]CCc2ccc(OCC(F)(F)F)nc2)C1 ZINC000573267044 326039651 /nfs/dbraw/zinc/03/96/51/326039651.db2.gz XZXDAKGPEGCIED-QWHCGFSZSA-N 1 3 317.355 2.425 20 0 DEADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000573850416 326098677 /nfs/dbraw/zinc/09/86/77/326098677.db2.gz LEDZRHFVGMGFPW-OKZBNKHCSA-N 1 3 315.461 2.094 20 0 DEADHO C[C@H](N[C@@H]1CCN(C(=O)C2CCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000573902381 326102868 /nfs/dbraw/zinc/10/28/68/326102868.db2.gz KSQSDGKMZPVOMT-BHYGNILZSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)[C@H]1CCCNC1 ZINC000573902381 326102869 /nfs/dbraw/zinc/10/28/69/326102869.db2.gz KSQSDGKMZPVOMT-BHYGNILZSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000573916913 326104254 /nfs/dbraw/zinc/10/42/54/326104254.db2.gz ZZZKZDSYXHNSOW-WBVHZDCISA-N 1 3 303.450 2.315 20 0 DEADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](O)COc2cc(C)ccc2C)C1 ZINC000574632142 326172269 /nfs/dbraw/zinc/17/22/69/326172269.db2.gz OMQOZQSMVCZBIN-ZWKOTPCHSA-N 1 3 320.477 2.365 20 0 DEADHO CC(C)[NH+]1CCC(O)(CNCc2ccc3[nH]ccc3c2)CC1 ZINC000574822122 326190731 /nfs/dbraw/zinc/19/07/31/326190731.db2.gz BIECKPLYMBXTRY-UHFFFAOYSA-N 1 3 301.434 2.493 20 0 DEADHO CN1CCC(CCO)([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000575002016 326209296 /nfs/dbraw/zinc/20/92/96/326209296.db2.gz VDEOKRKSDMNLAW-UHFFFAOYSA-N 1 3 323.525 2.220 20 0 DEADHO O[C@@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)Cc1cccc(Cl)c1 ZINC000575981557 326260343 /nfs/dbraw/zinc/26/03/43/326260343.db2.gz RJSPREDHXZKTOO-WMLDXEAASA-N 1 3 308.853 2.317 20 0 DEADHO O[C@@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)Cc1cccc(Cl)c1 ZINC000575981557 326260345 /nfs/dbraw/zinc/26/03/45/326260345.db2.gz RJSPREDHXZKTOO-WMLDXEAASA-N 1 3 308.853 2.317 20 0 DEADHO O[C@@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)Cc1cccc(Cl)c1 ZINC000575981557 326260347 /nfs/dbraw/zinc/26/03/47/326260347.db2.gz RJSPREDHXZKTOO-WMLDXEAASA-N 1 3 308.853 2.317 20 0 DEADHO Cc1cc(C)cc(OC[C@@H](O)C[NH2+][C@H](C)C2=CCN(C)CC2)c1 ZINC000576459697 326295253 /nfs/dbraw/zinc/29/52/53/326295253.db2.gz KZBASBMVMRCWLX-AEFFLSMTSA-N 1 3 318.461 2.283 20 0 DEADHO C[N@H+](C[C@@H](O)CNCC1(Sc2ccccc2)CC1)C1CC1 ZINC000577172220 326347110 /nfs/dbraw/zinc/34/71/10/326347110.db2.gz MGSGLSTYJORFBF-HNNXBMFYSA-N 1 3 306.475 2.356 20 0 DEADHO C[N@@H+](C[C@@H](O)CNCC1(Sc2ccccc2)CC1)C1CC1 ZINC000577172220 326347112 /nfs/dbraw/zinc/34/71/12/326347112.db2.gz MGSGLSTYJORFBF-HNNXBMFYSA-N 1 3 306.475 2.356 20 0 DEADHO CC1CCC(O)(CNC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000577365837 326360473 /nfs/dbraw/zinc/36/04/73/326360473.db2.gz IXHIAZRSBHEVQZ-FTJRRQOFSA-N 1 3 324.509 2.285 20 0 DEADHO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc3c2CCNC3)C1 ZINC000577471435 326368779 /nfs/dbraw/zinc/36/87/79/326368779.db2.gz ACFFLWBAJCCKDN-CQSZACIVSA-N 1 3 316.449 2.138 20 0 DEADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc3c2CCNC3)C1 ZINC000577471435 326368780 /nfs/dbraw/zinc/36/87/80/326368780.db2.gz ACFFLWBAJCCKDN-CQSZACIVSA-N 1 3 316.449 2.138 20 0 DEADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCN(CCCF)C2)CCCCC1 ZINC001376148079 1159170814 /nfs/dbraw/zinc/17/08/14/1159170814.db2.gz OWHQCSBURUKLOJ-OAHLLOKOSA-N 1 3 313.461 2.049 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)CCCC[NH3+])CC1 ZINC000580308502 333090150 /nfs/dbraw/zinc/09/01/50/333090150.db2.gz HYVXQFDOVHJWSP-HNNXBMFYSA-N 1 3 303.450 2.457 20 0 DEADHO CC(C)[C@@H](C[NH3+])C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388436102 333306107 /nfs/dbraw/zinc/30/61/07/333306107.db2.gz DDFZAFZXEOXQAJ-ZWKOTPCHSA-N 1 3 317.477 2.340 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(C)CC2(N(C)C)CCC2)C1 ZINC000189986308 336258438 /nfs/dbraw/zinc/25/84/38/336258438.db2.gz WNNNGOJQKFNMDR-INIZCTEOSA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N(C)CC2(N(C)C)CCC2)C1 ZINC000189986308 336258439 /nfs/dbraw/zinc/25/84/39/336258439.db2.gz WNNNGOJQKFNMDR-INIZCTEOSA-N 1 3 324.513 2.090 20 0 DEADHO CCN(C(=O)[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000582847384 337209927 /nfs/dbraw/zinc/20/99/27/337209927.db2.gz MJOOKWVSDNVSCE-DZJNRPSUSA-N 1 3 315.461 2.408 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000583142508 337245029 /nfs/dbraw/zinc/24/50/29/337245029.db2.gz AEKJDLGEWMXIKT-KSZLIROESA-N 1 3 315.461 2.203 20 0 DEADHO C[C@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000398108169 337305652 /nfs/dbraw/zinc/30/56/52/337305652.db2.gz BZWUZASGUHAKHD-AHCXZYCDSA-N 1 3 315.461 2.011 20 0 DEADHO CN(C[C@H]1CCN1CCCC1CCCC1)C(=O)CC[NH+](C)C ZINC001396997704 1159894182 /nfs/dbraw/zinc/89/41/82/1159894182.db2.gz WTGMZRXHEGBKEC-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@H](F)C[NH+]1CCC(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001378468265 1152340754 /nfs/dbraw/zinc/34/07/54/1152340754.db2.gz FAZJIQGVEFPGTD-JKSUJKDBSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C1C[NH+](CC2CCC2)C1 ZINC001378557917 1152375265 /nfs/dbraw/zinc/37/52/65/1152375265.db2.gz KWJUNCMGOAQYKT-CVEARBPZSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]Cc1ccc(F)cc1 ZINC001378612708 1152394346 /nfs/dbraw/zinc/39/43/46/1152394346.db2.gz XREUOKXABXSTPI-LSDHHAIUSA-N 1 3 321.440 2.009 20 0 DEADHO CCCN(C)CC(=O)NC1(C2CC[NH+](CC(C)C)CC2)CC1 ZINC001369586970 1149053033 /nfs/dbraw/zinc/05/30/33/1149053033.db2.gz XVVGLOAOCHNDLZ-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CCc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001378751602 1152434643 /nfs/dbraw/zinc/43/46/43/1152434643.db2.gz ITPARWLPRCVOKL-QAPCUYQASA-N 1 3 317.477 2.280 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]CC1CCCCC1)N(C)C ZINC001401123823 1161878209 /nfs/dbraw/zinc/87/82/09/1161878209.db2.gz GSWDJLLDZBOTMT-NVXWUHKLSA-N 1 3 311.514 2.495 20 0 DEADHO C[C@H](CCCC[NH3+])NCc1ccncc1OC[C@H]1CCOC1 ZINC000423118897 533849771 /nfs/dbraw/zinc/84/97/71/533849771.db2.gz CODMPBQDAJOQPG-CABCVRRESA-N 1 3 307.438 2.104 20 0 DEADHO C[C@H](NC[C@H](CO)Cc1c(F)cccc1Cl)[C@H]1CC[NH2+]C1 ZINC000422790444 533895395 /nfs/dbraw/zinc/89/53/95/533895395.db2.gz BZDNHPFXEUCNPY-XQQFMLRXSA-N 1 3 314.832 2.218 20 0 DEADHO COC(=O)c1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000422999441 534146837 /nfs/dbraw/zinc/14/68/37/534146837.db2.gz FBQPKWDJEKSLLH-UKRRQHHQSA-N 1 3 306.406 2.089 20 0 DEADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCCOC[C@@H]1CCCO1 ZINC000422776399 534180176 /nfs/dbraw/zinc/18/01/76/534180176.db2.gz ALMQUQWKXMSBKB-RYQLBKOJSA-N 1 3 306.450 2.120 20 0 DEADHO C[C@@H](C[C@H]1COCCN1)[NH2+]CC(C)(C)N1C[C@H](C)C[C@H](C)C1 ZINC000422755943 534210983 /nfs/dbraw/zinc/21/09/83/534210983.db2.gz IHKODRGFCQFGHX-YVSFHVDLSA-N 1 3 311.514 2.100 20 0 DEADHO C[C@@H](C[C@H]1COCCN1)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422755943 534210987 /nfs/dbraw/zinc/21/09/87/534210987.db2.gz IHKODRGFCQFGHX-YVSFHVDLSA-N 1 3 311.514 2.100 20 0 DEADHO C[C@@H](C[C@H]1COCCN1)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422755943 534210992 /nfs/dbraw/zinc/21/09/92/534210992.db2.gz IHKODRGFCQFGHX-YVSFHVDLSA-N 1 3 311.514 2.100 20 0 DEADHO C[C@H](NC(=O)N1CCCC[C@@H]1C[NH3+])[C@H](c1ccccc1)N(C)C ZINC000418193765 534211565 /nfs/dbraw/zinc/21/15/65/534211565.db2.gz ZTNSKYZRGFZCCM-USXIJHARSA-N 1 3 318.465 2.201 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccsc2)C1)N(C)C ZINC001378854874 1152468716 /nfs/dbraw/zinc/46/87/16/1152468716.db2.gz ZTIYARNZMYJZHN-KKUMJFAQSA-N 1 3 309.479 2.073 20 0 DEADHO O=C(NCC[C@H]1CCC[NH2+]1)N1CCN(CC2CCCCC2)CC1 ZINC000418549363 534424915 /nfs/dbraw/zinc/42/49/15/534424915.db2.gz MIXOGRGWLYTYOK-QGZVFWFLSA-N 1 3 322.497 2.036 20 0 DEADHO CC(C)N(C(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C)C2)C(C)C ZINC000339435629 519568574 /nfs/dbraw/zinc/56/85/74/519568574.db2.gz DNOSJMHBWFNJFN-SJLPKXTDSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)N(C(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCCN(C)C2)C(C)C ZINC000339435629 519568579 /nfs/dbraw/zinc/56/85/79/519568579.db2.gz DNOSJMHBWFNJFN-SJLPKXTDSA-N 1 3 309.498 2.438 20 0 DEADHO CC[NH+](CC)CC1CCN(CCn2c(C)csc2=O)CC1 ZINC000336834794 520587652 /nfs/dbraw/zinc/58/76/52/520587652.db2.gz HIVDBRYZSHAQJP-UHFFFAOYSA-N 1 3 311.495 2.272 20 0 DEADHO CCN1CCC(NC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000337371629 521575828 /nfs/dbraw/zinc/57/58/28/521575828.db2.gz RFXUSUHPVSXBFB-HZPDHXFCSA-N 1 3 324.513 2.138 20 0 DEADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H]1C1CC1)c1ccccc1 ZINC000364278659 522072214 /nfs/dbraw/zinc/07/22/14/522072214.db2.gz JVGNBTLDWOIPII-ZWKOTPCHSA-N 1 3 315.461 2.280 20 0 DEADHO CN(C)[C@H](CNC(=O)C[N@H+]1CCC[C@H]1C1CC1)c1ccccc1 ZINC000364278659 522072227 /nfs/dbraw/zinc/07/22/27/522072227.db2.gz JVGNBTLDWOIPII-ZWKOTPCHSA-N 1 3 315.461 2.280 20 0 DEADHO COC1CCC([N@H+](C)CCCN2CCN(C(C)C)CC2)CC1 ZINC000337261059 522685052 /nfs/dbraw/zinc/68/50/52/522685052.db2.gz XODVUABCBKQNAV-UHFFFAOYSA-N 1 3 311.514 2.292 20 0 DEADHO COC1CCC([N@@H+](C)CCCN2CCN(C(C)C)CC2)CC1 ZINC000337261059 522685062 /nfs/dbraw/zinc/68/50/62/522685062.db2.gz XODVUABCBKQNAV-UHFFFAOYSA-N 1 3 311.514 2.292 20 0 DEADHO CCc1cc(OC)ccc1C[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000337335240 523838425 /nfs/dbraw/zinc/83/84/25/523838425.db2.gz LHVXNVNRSJYXQK-QGZVFWFLSA-N 1 3 306.450 2.194 20 0 DEADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CCC2CCOCC2)CC1 ZINC000336875373 524400103 /nfs/dbraw/zinc/40/01/03/524400103.db2.gz FVFMEPAOJVFQJT-ROUUACIJSA-N 1 3 323.525 2.294 20 0 DEADHO C[C@@H]1CCC[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000104816439 524424060 /nfs/dbraw/zinc/42/40/60/524424060.db2.gz XDVGMTVTVWKUBT-RHSMWYFYSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCCC[C@H]1C ZINC000337353096 524431573 /nfs/dbraw/zinc/43/15/73/524431573.db2.gz ANEKUKCQWGLBJY-NCOADZHNSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)N1CCCC[C@H]1C ZINC000337353096 524431581 /nfs/dbraw/zinc/43/15/81/524431581.db2.gz ANEKUKCQWGLBJY-NCOADZHNSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000248998641 524849452 /nfs/dbraw/zinc/84/94/52/524849452.db2.gz IEYGXNMWXYGFNC-PMPSAXMXSA-N 1 3 303.450 2.093 20 0 DEADHO C[C@H]([NH2+]CCc1cnn(C)c1)c1cccc(OCCN(C)C)c1 ZINC000127833951 525374322 /nfs/dbraw/zinc/37/43/22/525374322.db2.gz HDLCIVLNUNJPRF-HNNXBMFYSA-N 1 3 316.449 2.254 20 0 DEADHO CC(C)CC[NH+]1CCC(CNC(=O)N2C[C@H](C)NC[C@H]2C)CC1 ZINC000417857805 527723022 /nfs/dbraw/zinc/72/30/22/527723022.db2.gz YHBKTVAUPZEYDH-JKSUJKDBSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CCN[C@H](C)[C@@H]2C)CC1 ZINC000417856028 527723292 /nfs/dbraw/zinc/72/32/92/527723292.db2.gz WAWQHSMVFNVVIZ-CVEARBPZSA-N 1 3 324.513 2.136 20 0 DEADHO CCN(CC)CCN[C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422748217 528137198 /nfs/dbraw/zinc/13/71/98/528137198.db2.gz SNJIFXCOOSBGRS-MSOLQXFVSA-N 1 3 305.466 2.420 20 0 DEADHO CC(C)C[C@@H](C[NH3+])NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000418440511 528298173 /nfs/dbraw/zinc/29/81/73/528298173.db2.gz KVVZXNCNAVNCCQ-HNNXBMFYSA-N 1 3 324.469 2.116 20 0 DEADHO CCOC1(C)CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000428759454 528449473 /nfs/dbraw/zinc/44/94/73/528449473.db2.gz OUEIIACLXPXNCH-UHFFFAOYSA-N 1 3 311.514 2.294 20 0 DEADHO CC(C)[C@@H](N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000292608484 528499512 /nfs/dbraw/zinc/49/95/12/528499512.db2.gz XEXFLJUCCMSKAD-HYVNUMGLSA-N 1 3 303.450 2.139 20 0 DEADHO CC(C)[C@@H](N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000292608484 528499518 /nfs/dbraw/zinc/49/95/18/528499518.db2.gz XEXFLJUCCMSKAD-HYVNUMGLSA-N 1 3 303.450 2.139 20 0 DEADHO CCCCNC(=O)c1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422948059 528551202 /nfs/dbraw/zinc/55/12/02/528551202.db2.gz ZIHRORCGFATULR-IAGOWNOFSA-N 1 3 303.450 2.434 20 0 DEADHO CCOc1cccc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422992486 528642394 /nfs/dbraw/zinc/64/23/94/528642394.db2.gz CRKMCCWKYSVAQP-IPMKNSEASA-N 1 3 318.461 2.375 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418502280 528779452 /nfs/dbraw/zinc/77/94/52/528779452.db2.gz ULXSVPWACPQLRI-QGZVFWFLSA-N 1 3 318.465 2.017 20 0 DEADHO CCOCCOCc1cccc(C[NH2+][C@@H]2CNCC[C@@H]2C)c1 ZINC000422859937 528811683 /nfs/dbraw/zinc/81/16/83/528811683.db2.gz KREUPQCSXNRQBN-MAUKXSAKSA-N 1 3 306.450 2.327 20 0 DEADHO CCC([NH3+])(CC)CNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000418422153 528929319 /nfs/dbraw/zinc/92/93/19/528929319.db2.gz CLVJHCZZOMIEKG-UHFFFAOYSA-N 1 3 310.486 2.164 20 0 DEADHO CC1(C)CCCN(CCNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000444842736 528935398 /nfs/dbraw/zinc/93/53/98/528935398.db2.gz AJSBIMLUCGBYLO-JKSUJKDBSA-N 1 3 322.497 2.034 20 0 DEADHO CC1(C)CCCN(CCNC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000444842736 528935403 /nfs/dbraw/zinc/93/54/03/528935403.db2.gz AJSBIMLUCGBYLO-JKSUJKDBSA-N 1 3 322.497 2.034 20 0 DEADHO CC(C)N(Cc1ccccc1)C(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000443058183 528947630 /nfs/dbraw/zinc/94/76/30/528947630.db2.gz JQMHWURPEIHAGS-SFHVURJKSA-N 1 3 317.477 2.484 20 0 DEADHO CC(C)N1CCC([NH2+]Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417859120 529001054 /nfs/dbraw/zinc/00/10/54/529001054.db2.gz QVDSWMQRQLEEAR-UHFFFAOYSA-N 1 3 303.450 2.351 20 0 DEADHO CC(C)[C@H](CN[C@H](C)C[C@@H]1COCCN1)[NH+]1CCCCCC1 ZINC000422964873 529016331 /nfs/dbraw/zinc/01/63/31/529016331.db2.gz MXOZKWXMOHUADE-KURKYZTESA-N 1 3 311.514 2.244 20 0 DEADHO CC(C)[C@H](C[NH2+][C@H](C)C[C@@H]1COCCN1)N1CCCCCC1 ZINC000422964873 529016335 /nfs/dbraw/zinc/01/63/35/529016335.db2.gz MXOZKWXMOHUADE-KURKYZTESA-N 1 3 311.514 2.244 20 0 DEADHO CC1(C)[NH2+]CC[C@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000449749781 534985304 /nfs/dbraw/zinc/98/53/04/534985304.db2.gz GYZOJOLYVLDBHT-MRXNPFEDSA-N 1 3 301.434 2.153 20 0 DEADHO CCCNC(=[NH2+])NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000376716208 535004985 /nfs/dbraw/zinc/00/49/85/535004985.db2.gz MKQYTQBAMKMILU-UHFFFAOYSA-N 1 3 304.438 2.184 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC1CCN(C2CC2)CC1 ZINC000357638822 535229549 /nfs/dbraw/zinc/22/95/49/535229549.db2.gz MWJQRCVHUUPLCU-CQSZACIVSA-N 1 3 310.486 2.033 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC1CCN(C2CC2)CC1 ZINC000357638822 535229554 /nfs/dbraw/zinc/22/95/54/535229554.db2.gz MWJQRCVHUUPLCU-CQSZACIVSA-N 1 3 310.486 2.033 20 0 DEADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)/C=C\CN(C)C ZINC000492972231 535527707 /nfs/dbraw/zinc/52/77/07/535527707.db2.gz JIOIZOBSMLTVHX-RAXLEYEMSA-N 1 3 317.477 2.475 20 0 DEADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCCN1CCOCC1 ZINC000348325870 535577454 /nfs/dbraw/zinc/57/74/54/535577454.db2.gz XJYHVRDTYNYKGP-ROUUACIJSA-N 1 3 311.514 2.199 20 0 DEADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cn(C(C)C)nc2C)CC1 ZINC000361890076 535707964 /nfs/dbraw/zinc/70/79/64/535707964.db2.gz SOCAPSISXCCWLV-INIZCTEOSA-N 1 3 321.513 2.136 20 0 DEADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccncc2F)CC1 ZINC000340231103 535708065 /nfs/dbraw/zinc/70/80/65/535708065.db2.gz JUSBMKZQFMFYGE-LSDHHAIUSA-N 1 3 308.445 2.145 20 0 DEADHO CCN(Cc1ccc(C(=O)NC[C@H]([NH3+])C2CC2)cc1)C1CC1 ZINC000261939302 535782258 /nfs/dbraw/zinc/78/22/58/535782258.db2.gz MTUCOXYDFBDVPB-KRWDZBQOSA-N 1 3 301.434 2.138 20 0 DEADHO CN(C)CCOc1ccc(NC(=O)C2CC[NH+](C)CC2)cc1F ZINC000458290490 535906973 /nfs/dbraw/zinc/90/69/73/535906973.db2.gz MZZIEJAHUCBSTK-UHFFFAOYSA-N 1 3 323.412 2.046 20 0 DEADHO CN1CCC(CC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000368276673 536336027 /nfs/dbraw/zinc/33/60/27/536336027.db2.gz LUZITBDNYSKYSS-QGZVFWFLSA-N 1 3 307.482 2.195 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C[C@H](N)c3ccccc3)CC[C@H]21 ZINC000262316034 536377787 /nfs/dbraw/zinc/37/77/87/536377787.db2.gz QIGNTBNEINKPSB-IXDOHACOSA-N 1 3 301.434 2.019 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C[C@H](N)c3ccccc3)CC[C@H]21 ZINC000262316034 536377790 /nfs/dbraw/zinc/37/77/90/536377790.db2.gz QIGNTBNEINKPSB-IXDOHACOSA-N 1 3 301.434 2.019 20 0 DEADHO C[NH2+]CCc1ccccc1C(=O)N[C@@H](C)CN1CCCCC1 ZINC000262297319 536447160 /nfs/dbraw/zinc/44/71/60/536447160.db2.gz OAWJYNUYJXLKBB-HNNXBMFYSA-N 1 3 303.450 2.053 20 0 DEADHO COC(=O)[C@H](C1CC1)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000359596231 536644792 /nfs/dbraw/zinc/64/47/92/536644792.db2.gz MPSAIDDKPKRFQK-KRWDZBQOSA-N 1 3 317.433 2.181 20 0 DEADHO COCCOc1cccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000346835562 536709712 /nfs/dbraw/zinc/70/97/12/536709712.db2.gz TYGZGSQWMVNOBS-SZMVWBNQSA-N 1 3 304.434 2.271 20 0 DEADHO COc1cc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc(OC)c1OC ZINC000262126016 536808743 /nfs/dbraw/zinc/80/87/43/536808743.db2.gz LATJNDSUKUSXDJ-UONOGXRCSA-N 1 3 308.422 2.320 20 0 DEADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001379220918 1152592172 /nfs/dbraw/zinc/59/21/72/1152592172.db2.gz FKJUAXFCRWAWHM-ZBFHGGJFSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](C[NH2+]Cc1ccc(Cl)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001379518151 1152636114 /nfs/dbraw/zinc/63/61/14/1152636114.db2.gz ZUSDSDWXFRGLKM-ZDUSSCGKSA-N 1 3 323.868 2.419 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCC2CCCC2)[C@H]1C ZINC001379560191 1152642991 /nfs/dbraw/zinc/64/29/91/1152642991.db2.gz BYOBTHBZEMPQCU-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)CNCc1ccccc1F)[NH+](C)C ZINC001379581469 1152646372 /nfs/dbraw/zinc/64/63/72/1152646372.db2.gz WKENAIOQHAPJEK-BBRMVZONSA-N 1 3 309.429 2.006 20 0 DEADHO Cc1ccc(C)c(C[NH2+]C[C@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001379595034 1152648731 /nfs/dbraw/zinc/64/87/31/1152648731.db2.gz FBYQTEZDJKXEIQ-INIZCTEOSA-N 1 3 305.466 2.238 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+]1CCC1CCCC1)N(C)C ZINC001380021392 1152733018 /nfs/dbraw/zinc/73/30/18/1152733018.db2.gz PHONJPGLQXDRCT-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1C ZINC001381635183 1153164475 /nfs/dbraw/zinc/16/44/75/1153164475.db2.gz YHIOLUMUWFHMRW-INIZCTEOSA-N 1 3 305.466 2.273 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1C ZINC001381635183 1153164479 /nfs/dbraw/zinc/16/44/79/1153164479.db2.gz YHIOLUMUWFHMRW-INIZCTEOSA-N 1 3 305.466 2.273 20 0 DEADHO CCCN(C)CC(=O)N1C[C@]2(C)C[N@@H+](CC(C)C)C[C@]2(C)C1 ZINC001381949741 1153285847 /nfs/dbraw/zinc/28/58/47/1153285847.db2.gz USSWZFLWHLZTFT-HDICACEKSA-N 1 3 309.498 2.155 20 0 DEADHO CC(C)N(CC[N@H+](C)CCC1CC1)C(=O)CN1CC[C@H](C)C1 ZINC001382505551 1153456781 /nfs/dbraw/zinc/45/67/81/1153456781.db2.gz JWZDQAXDJPXEMA-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)N(CC[N@@H+](C)CCC1CC1)C(=O)CN1CC[C@H](C)C1 ZINC001382505551 1153456784 /nfs/dbraw/zinc/45/67/84/1153456784.db2.gz JWZDQAXDJPXEMA-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CC1(C)C[C@@H]([NH3+])C[C@H](NCCC(=O)NCc2ccccc2)C1 ZINC000925544031 625294856 /nfs/dbraw/zinc/29/48/56/625294856.db2.gz PRTNDMRNODGUTI-HOTGVXAUSA-N 1 3 303.450 2.189 20 0 DEADHO CCN1CCN(CCC[NH2+]C[C@@H]2CCc3ccccc32)CC1 ZINC000893327095 625477293 /nfs/dbraw/zinc/47/72/93/625477293.db2.gz FDWAZQDKIUIBDM-SFHVURJKSA-N 1 3 301.478 2.334 20 0 DEADHO CN(CC(=O)N1CCC[C@@H](C[NH2+]CC2CCCC2)C1)C1CCC1 ZINC001024018939 625545580 /nfs/dbraw/zinc/54/55/80/625545580.db2.gz UTVXQMYOOHDFOB-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CC1(C)C[C@H]([NH3+])C[C@@H](N[C@@H]2CCCN(C(=O)N3CCCC3)C2)C1 ZINC000925669343 625585165 /nfs/dbraw/zinc/58/51/65/625585165.db2.gz ATFOGYRIBGKRTA-BZUAXINKSA-N 1 3 322.497 2.162 20 0 DEADHO CC(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC000969655644 622869502 /nfs/dbraw/zinc/86/95/02/622869502.db2.gz ZIBUDLMBEXCNSY-RDJZCZTQSA-N 1 3 309.498 2.342 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2F)C1 ZINC001020586355 622925382 /nfs/dbraw/zinc/92/53/82/622925382.db2.gz MASWXTSLZFBBRU-BPUTZDHNSA-N 1 3 319.424 2.047 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@@H]2C[C@@H]([NH2+]CC3CCC(C)CC3)C2)C1 ZINC001020588800 622926923 /nfs/dbraw/zinc/92/69/23/622926923.db2.gz MXANRUKSCQESCH-YKFHYGQGSA-N 1 3 321.509 2.391 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC[C@@H]([NH2+]CCC3CCCC3)C2)C1 ZINC000969969144 623027514 /nfs/dbraw/zinc/02/75/14/623027514.db2.gz YTINYMBBXDWGAF-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001020980500 623235666 /nfs/dbraw/zinc/23/56/66/623235666.db2.gz KUUZQTXIZUNRFN-WKILWMFISA-N 1 3 312.417 2.006 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCC2)C1 ZINC001021093816 623337614 /nfs/dbraw/zinc/33/76/14/623337614.db2.gz JFLJFHHDHNXJFU-BRWVUGGUSA-N 1 3 307.482 2.288 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]([NH2+]CC2CC2)C1 ZINC001021094144 623338039 /nfs/dbraw/zinc/33/80/39/623338039.db2.gz LYBSJYARBCGTMF-WKILWMFISA-N 1 3 301.434 2.009 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001024155972 625641106 /nfs/dbraw/zinc/64/11/06/625641106.db2.gz GAMWZIPDFSIIQZ-WBVHZDCISA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H](C[NH2+]CC2CCC2)C1 ZINC001024155969 625641299 /nfs/dbraw/zinc/64/12/99/625641299.db2.gz GAMWZIPDFSIIQZ-DOTOQJQBSA-N 1 3 307.482 2.099 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CC3CCCC3)C2)CC1 ZINC000970335534 623408899 /nfs/dbraw/zinc/40/88/99/623408899.db2.gz QQKUVUHLKFQBQF-QGZVFWFLSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)[NH+]1CC([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000970911628 623785051 /nfs/dbraw/zinc/78/50/51/623785051.db2.gz ARDXSWWGSTVOIC-CQSZACIVSA-N 1 3 303.450 2.207 20 0 DEADHO CC1CC(C[N@H+](C)[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000971674391 624500305 /nfs/dbraw/zinc/50/03/05/624500305.db2.gz SAKQCMKIYSURKH-GPANFISMSA-N 1 3 307.482 2.050 20 0 DEADHO CC1CC(C[N@@H+](C)[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000971674391 624500310 /nfs/dbraw/zinc/50/03/10/624500310.db2.gz SAKQCMKIYSURKH-GPANFISMSA-N 1 3 307.482 2.050 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC2CCCCC2)C1)C1CC1 ZINC000971676666 624500340 /nfs/dbraw/zinc/50/03/40/624500340.db2.gz GLNGGTADARLLMX-MSOLQXFVSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2CCCCC2)C1)C1CC1 ZINC000971676666 624500343 /nfs/dbraw/zinc/50/03/43/624500343.db2.gz GLNGGTADARLLMX-MSOLQXFVSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)C1CC1 ZINC000971685488 624505659 /nfs/dbraw/zinc/50/56/59/624505659.db2.gz NGKGPRZDESUNHH-QZTJIDSGSA-N 1 3 315.461 2.060 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)C1CC1 ZINC000971685488 624505660 /nfs/dbraw/zinc/50/56/60/624505660.db2.gz NGKGPRZDESUNHH-QZTJIDSGSA-N 1 3 315.461 2.060 20 0 DEADHO CN(C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)[C@H]1CCCN(C)C1 ZINC000891888095 624646806 /nfs/dbraw/zinc/64/68/06/624646806.db2.gz DAVZNBIKKWKDED-IRXDYDNUSA-N 1 3 324.513 2.233 20 0 DEADHO CCN(C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C)[C@@H]1CC[NH2+]C1 ZINC000891894766 624649682 /nfs/dbraw/zinc/64/96/82/624649682.db2.gz RZTJXLRKKPDHFQ-DJIMGWMZSA-N 1 3 318.465 2.071 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC001022714270 624866946 /nfs/dbraw/zinc/86/69/46/624866946.db2.gz SJAGTLRTCQRKQF-OIISXLGYSA-N 1 3 319.493 2.145 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCC3)C[C@H]21 ZINC001026148651 625155500 /nfs/dbraw/zinc/15/55/00/625155500.db2.gz WZCJWFCOXGFVJJ-RFEVWBHWSA-N 1 3 319.493 2.096 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21 ZINC001026148651 625155502 /nfs/dbraw/zinc/15/55/02/625155502.db2.gz WZCJWFCOXGFVJJ-RFEVWBHWSA-N 1 3 319.493 2.096 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001007326709 625219106 /nfs/dbraw/zinc/21/91/06/625219106.db2.gz IUGRNLSCGJYAQD-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001007326709 625219109 /nfs/dbraw/zinc/21/91/09/625219109.db2.gz IUGRNLSCGJYAQD-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO FC(F)CN1CCC([NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925534031 625237832 /nfs/dbraw/zinc/23/78/32/625237832.db2.gz IPMMINCYUNFDNX-JKSUJKDBSA-N 1 3 315.452 2.474 20 0 DEADHO COc1ccccc1N1CCC(N[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925535435 625239409 /nfs/dbraw/zinc/23/94/09/625239409.db2.gz WPUDHJAQKZISJE-GOEBONIOSA-N 1 3 303.450 2.394 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCCF)C1 ZINC001023366171 625240810 /nfs/dbraw/zinc/24/08/10/625240810.db2.gz OUFZAQULVQYGPA-HOTGVXAUSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCCF)C1 ZINC001023366171 625240812 /nfs/dbraw/zinc/24/08/12/625240812.db2.gz OUFZAQULVQYGPA-HOTGVXAUSA-N 1 3 313.461 2.047 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CCCF)C1 ZINC001023404519 625256004 /nfs/dbraw/zinc/25/60/04/625256004.db2.gz UQFYABCTNIDOTN-HZPDHXFCSA-N 1 3 313.461 2.049 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CCCF)C1 ZINC001023404519 625256007 /nfs/dbraw/zinc/25/60/07/625256007.db2.gz UQFYABCTNIDOTN-HZPDHXFCSA-N 1 3 313.461 2.049 20 0 DEADHO CC[N@H+](C)[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001027693102 634447396 /nfs/dbraw/zinc/44/73/96/634447396.db2.gz RVHXVMWTSZXKAI-KRWDZBQOSA-N 1 3 303.450 2.305 20 0 DEADHO CC[N@@H+](C)[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001027693102 634447400 /nfs/dbraw/zinc/44/74/00/634447400.db2.gz RVHXVMWTSZXKAI-KRWDZBQOSA-N 1 3 303.450 2.305 20 0 DEADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001019774800 625832058 /nfs/dbraw/zinc/83/20/58/625832058.db2.gz IYMDMIQWHDIJSH-KRWDZBQOSA-N 1 3 305.466 2.163 20 0 DEADHO Cc1cccc([C@H](C)[NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001019774897 625832106 /nfs/dbraw/zinc/83/21/06/625832106.db2.gz MRWSAUQZJOGGOC-WMZOPIPTSA-N 1 3 315.461 2.342 20 0 DEADHO CN(C)CCN(C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)C1CCCC1 ZINC000892496268 625896419 /nfs/dbraw/zinc/89/64/19/625896419.db2.gz XIZAQZRBDKBFFQ-HNNXBMFYSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H](NCCOCC[NH+](C)C)c1cnn(-c2ccccc2)c1 ZINC000318445181 625945758 /nfs/dbraw/zinc/94/57/58/625945758.db2.gz QFJVNIXXFDTPMM-HNNXBMFYSA-N 1 3 302.422 2.101 20 0 DEADHO C[C@@H]1OC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@@H]1C ZINC000926695922 625964571 /nfs/dbraw/zinc/96/45/71/625964571.db2.gz ZLQGAUFQVYBWDM-VKJFTORMSA-N 1 3 303.450 2.307 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC2CCC2)C1 ZINC000999142551 634492473 /nfs/dbraw/zinc/49/24/73/634492473.db2.gz BCFPAJPXSBFAEX-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]CC2CCCCC2)C1 ZINC000999474159 634603158 /nfs/dbraw/zinc/60/31/58/634603158.db2.gz SHIVFWZSSQHLDV-UHFFFAOYSA-N 1 3 304.438 2.112 20 0 DEADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]Cc2ccccc2F)C1 ZINC000999834064 634692045 /nfs/dbraw/zinc/69/20/45/634692045.db2.gz PYFIDGTVANNIFJ-UHFFFAOYSA-N 1 3 319.424 2.001 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001000219608 634798407 /nfs/dbraw/zinc/79/84/07/634798407.db2.gz AEYZNYFCTREDHY-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC2CCC2)C(C)(C)C1 ZINC000995790145 633122394 /nfs/dbraw/zinc/12/23/94/633122394.db2.gz AXWTVPSLDFLEKY-IAGOWNOFSA-N 1 3 321.509 2.486 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC(C)C)C(C)(C)C1 ZINC000995872131 633131681 /nfs/dbraw/zinc/13/16/81/633131681.db2.gz LZTIKMQMOPWARU-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO CC1CC(C[NH2+][C@H]2CN(C(=O)C3(N(C)C)CCC3)CC2(C)C)C1 ZINC000995883621 633137317 /nfs/dbraw/zinc/13/73/17/633137317.db2.gz DCBMEXYIELKVEJ-GPANFISMSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)(C(=O)N1C[C@@H]([NH2+]CC2CCC2)C(C)(C)C1)N1CCCC1 ZINC000996129262 633192599 /nfs/dbraw/zinc/19/25/99/633192599.db2.gz VBQADNYIRUOQCM-MRXNPFEDSA-N 1 3 321.509 2.488 20 0 DEADHO CCN1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974681694 633231852 /nfs/dbraw/zinc/23/18/52/633231852.db2.gz KQNVERMRVOUOER-HOTGVXAUSA-N 1 3 307.482 2.240 20 0 DEADHO CCN1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974681694 633231854 /nfs/dbraw/zinc/23/18/54/633231854.db2.gz KQNVERMRVOUOER-HOTGVXAUSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)CC1(C)C ZINC000996381757 633251193 /nfs/dbraw/zinc/25/11/93/633251193.db2.gz YHWBMKFHNQDQLF-HZPDHXFCSA-N 1 3 309.498 2.484 20 0 DEADHO C[NH+](C)Cc1ccccc1C(=O)N1C[C@H](NCCF)C(C)(C)C1 ZINC000996671732 633345188 /nfs/dbraw/zinc/34/51/88/633345188.db2.gz MNBOLHVYPRQLMW-INIZCTEOSA-N 1 3 321.440 2.158 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1C[C@H]([NH2+]CCF)C(C)(C)C1 ZINC000996671732 633345191 /nfs/dbraw/zinc/34/51/91/633345191.db2.gz MNBOLHVYPRQLMW-INIZCTEOSA-N 1 3 321.440 2.158 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccccc2F)C1)N(C)C ZINC001027069126 633384252 /nfs/dbraw/zinc/38/42/52/633384252.db2.gz LIZYBQGNEJWBJV-PBHICJAKSA-N 1 3 321.440 2.104 20 0 DEADHO CC(C)[NH2+]C[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001027235952 633506731 /nfs/dbraw/zinc/50/67/31/633506731.db2.gz YYIDGKKNDWQXJI-OAHLLOKOSA-N 1 3 303.450 2.208 20 0 DEADHO CC1CC(C[NH2+]C2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC000997116427 633596361 /nfs/dbraw/zinc/59/63/61/633596361.db2.gz ZBYBJPGQIZSCBK-UHFFFAOYSA-N 1 3 321.509 2.345 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CCC2)C1)C1CC1 ZINC001027444537 633795564 /nfs/dbraw/zinc/79/55/64/633795564.db2.gz SRGAIXVRVVOQTI-IAGOWNOFSA-N 1 3 307.482 2.050 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC2)C1)C1CC1 ZINC001027444537 633795569 /nfs/dbraw/zinc/79/55/69/633795569.db2.gz SRGAIXVRVVOQTI-IAGOWNOFSA-N 1 3 307.482 2.050 20 0 DEADHO CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC000997586770 633885822 /nfs/dbraw/zinc/88/58/22/633885822.db2.gz KABBETQTSCACLY-DOTOQJQBSA-N 1 3 309.498 2.486 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](CCC)CC1 ZINC000997614979 633899793 /nfs/dbraw/zinc/89/97/93/633899793.db2.gz VVPHUPXXKIZNRJ-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccsc2)CC1 ZINC000997615319 633901170 /nfs/dbraw/zinc/90/11/70/633901170.db2.gz UCZHFPNSVBLWBM-MRXNPFEDSA-N 1 3 321.490 2.171 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([N@H+](C)CCC3CC3)C2)C1 ZINC001027576801 634178704 /nfs/dbraw/zinc/17/87/04/634178704.db2.gz WZUWMQIHNMYGMS-RDJZCZTQSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([N@@H+](C)CCC3CC3)C2)C1 ZINC001027576801 634178708 /nfs/dbraw/zinc/17/87/08/634178708.db2.gz WZUWMQIHNMYGMS-RDJZCZTQSA-N 1 3 307.482 2.051 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC2CCC2)C1 ZINC000980485680 635018078 /nfs/dbraw/zinc/01/80/78/635018078.db2.gz KYNCBGCXEXGMBQ-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC2CCC2)C1 ZINC000980485680 635018081 /nfs/dbraw/zinc/01/80/81/635018081.db2.gz KYNCBGCXEXGMBQ-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc2c(c1)CCC(=O)N2 ZINC000925781274 635143292 /nfs/dbraw/zinc/14/32/92/635143292.db2.gz XUXBSIGPKGTYJA-FZMZJTMJSA-N 1 3 323.387 2.467 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCCN(CC[C@H](C)F)CC1 ZINC000981148680 635332828 /nfs/dbraw/zinc/33/28/28/635332828.db2.gz LDGYZJRMGWPUFN-JKSUJKDBSA-N 1 3 313.461 2.142 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCCN(CC[C@H](C)F)CC1 ZINC000981148680 635332834 /nfs/dbraw/zinc/33/28/34/635332834.db2.gz LDGYZJRMGWPUFN-JKSUJKDBSA-N 1 3 313.461 2.142 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC1=CC[N@H+](CCC2CC2)CC1 ZINC001001471499 635503212 /nfs/dbraw/zinc/50/32/12/635503212.db2.gz JKUGBGGZBGKWLB-GOSISDBHSA-N 1 3 319.493 2.409 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC1=CC[N@@H+](CCC2CC2)CC1 ZINC001001471499 635503218 /nfs/dbraw/zinc/50/32/18/635503218.db2.gz JKUGBGGZBGKWLB-GOSISDBHSA-N 1 3 319.493 2.409 20 0 DEADHO CC(C)(C(=O)N1CCC[N@H+](CC2CCC2)CC1)N1CCCC1 ZINC000981742426 635623920 /nfs/dbraw/zinc/62/39/20/635623920.db2.gz GAZCQENBSGGYSS-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)(C(=O)N1CCC[N@@H+](CC2CCC2)CC1)N1CCCC1 ZINC000981742426 635623922 /nfs/dbraw/zinc/62/39/22/635623922.db2.gz GAZCQENBSGGYSS-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001002793603 635799896 /nfs/dbraw/zinc/79/98/96/635799896.db2.gz XFXUZDYZMCLPJX-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CC[N@@H+]1CCCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC000982012124 635810153 /nfs/dbraw/zinc/81/01/53/635810153.db2.gz PMWOIVKRUJYNCG-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)CC[N@H+]1CCCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC000982012124 635810155 /nfs/dbraw/zinc/81/01/55/635810155.db2.gz PMWOIVKRUJYNCG-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnn(C(C)C)c1)C2 ZINC000922390378 636152615 /nfs/dbraw/zinc/15/26/15/636152615.db2.gz YYMXWMCTSSXGBJ-ZJPYXAASSA-N 1 3 320.481 2.033 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnn(C(C)C)c1)C2 ZINC000922390378 636152617 /nfs/dbraw/zinc/15/26/17/636152617.db2.gz YYMXWMCTSSXGBJ-ZJPYXAASSA-N 1 3 320.481 2.033 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC2CC[NH+](CCCF)CC2)c1 ZINC001004203237 636222460 /nfs/dbraw/zinc/22/24/60/636222460.db2.gz JVWXQLODYDVQGD-UHFFFAOYSA-N 1 3 321.440 2.302 20 0 DEADHO CC(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982554495 636263156 /nfs/dbraw/zinc/26/31/56/636263156.db2.gz XXEXAVZGKIEITO-YTQUADARSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982554495 636263158 /nfs/dbraw/zinc/26/31/58/636263158.db2.gz XXEXAVZGKIEITO-YTQUADARSA-N 1 3 321.509 2.297 20 0 DEADHO CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)N3CCCCCC3)C[C@@]2(C)C1 ZINC000982617426 636306163 /nfs/dbraw/zinc/30/61/63/636306163.db2.gz NDBZKHLLHXOZPE-YTQUADARSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)N3CCCCCC3)C[C@@]2(C)C1 ZINC000982617426 636306167 /nfs/dbraw/zinc/30/61/67/636306167.db2.gz NDBZKHLLHXOZPE-YTQUADARSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]2C[N@H+](C(C)C)C[C@H]2CC1)N(C)C ZINC000946765576 636623380 /nfs/dbraw/zinc/62/33/80/636623380.db2.gz PMDLFBYJFLBBHH-IXDOHACOSA-N 1 3 309.498 2.151 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]2C[N@@H+](C(C)C)C[C@H]2CC1)N(C)C ZINC000946765576 636623383 /nfs/dbraw/zinc/62/33/83/636623383.db2.gz PMDLFBYJFLBBHH-IXDOHACOSA-N 1 3 309.498 2.151 20 0 DEADHO CCC(CC)C[NH+]1CCC(N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC001005186231 636684954 /nfs/dbraw/zinc/68/49/54/636684954.db2.gz ZOUSRUBJJXBYOV-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H]([NH2+]CC1CCC1)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001029065264 637024239 /nfs/dbraw/zinc/02/42/39/637024239.db2.gz FFZOSJRSADRMNC-WMLDXEAASA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@H](C)C[NH+]1CCC(N(C)C(=O)CN2CCC[C@H]2C)CC1 ZINC001005992722 637048683 /nfs/dbraw/zinc/04/86/83/637048683.db2.gz VGAOKOSBHKIZRZ-JKSUJKDBSA-N 1 3 309.498 2.440 20 0 DEADHO CN(CC(C)(C)C[NH+](C)C)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000894458318 637049009 /nfs/dbraw/zinc/04/90/09/637049009.db2.gz PJCGBWIZMLBRTD-MRXNPFEDSA-N 1 3 324.513 2.233 20 0 DEADHO c1ccc([C@@H]2CSCCN2C[C@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923300180 637093592 /nfs/dbraw/zinc/09/35/92/637093592.db2.gz DABDXWSLYWSKKV-CVEARBPZSA-N 1 3 304.459 2.155 20 0 DEADHO Cc1ccc([C@H]2CSCCN2C[C@@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923316361 637107044 /nfs/dbraw/zinc/10/70/44/637107044.db2.gz PCEJLPVYULCJIR-DLBZAZTESA-N 1 3 318.486 2.463 20 0 DEADHO CCc1nc2c(s1)[C@@H](N(C)C[C@H]1CC3(C[NH2+]C3)CO1)CCC2 ZINC000923371025 637141021 /nfs/dbraw/zinc/14/10/21/637141021.db2.gz NXYXWVJKKLEECV-OCCSQVGLSA-N 1 3 321.490 2.393 20 0 DEADHO C[C@@H]1CCN[C@H](C)[C@H]1[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC000923369551 637141047 /nfs/dbraw/zinc/14/10/47/637141047.db2.gz KPEIWLQRFCCQMB-RPVFDAQASA-N 1 3 300.805 2.489 20 0 DEADHO CC(C)(C)[C@]1(C[NH3+])CCN(C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000923412831 637166471 /nfs/dbraw/zinc/16/64/71/637166471.db2.gz BYCALZIPURSTKL-QAPCUYQASA-N 1 3 324.440 2.262 20 0 DEADHO C[C@@H](NC(=O)CN1CC[C@H](CC[NH3+])C1)c1ccc(Cl)cc1 ZINC000923487195 637201389 /nfs/dbraw/zinc/20/13/89/637201389.db2.gz ARQJKGSTGIBFDE-OLZOCXBDSA-N 1 3 309.841 2.188 20 0 DEADHO C[C@@H](NC(=O)CN1CC[C@@H](CC[NH3+])C1)c1ccc(Cl)cc1 ZINC000923487194 637201799 /nfs/dbraw/zinc/20/17/99/637201799.db2.gz ARQJKGSTGIBFDE-CHWSQXEVSA-N 1 3 309.841 2.188 20 0 DEADHO [NH3+]CC[C@H]1CCN(C[C@H](O)c2cccc(Br)c2)C1 ZINC000923479175 637202709 /nfs/dbraw/zinc/20/27/09/637202709.db2.gz NUNRMHVSUCVBCN-FZMZJTMJSA-N 1 3 313.239 2.153 20 0 DEADHO Cc1ccc(N2CCC[C@H](N3CC[C@@H](C[NH3+])[C@H](C)C3)C2=O)cc1 ZINC000923497442 637214248 /nfs/dbraw/zinc/21/42/48/637214248.db2.gz LQGSWHFWGVNWII-RYRKJORJSA-N 1 3 315.461 2.407 20 0 DEADHO C[C@@H]1CN([C@H]2CCCN(c3ccccc3)C2=O)CC[C@@H]1C[NH3+] ZINC000923497886 637215340 /nfs/dbraw/zinc/21/53/40/637215340.db2.gz NDLILLYYUMPEJK-INMHGKMJSA-N 1 3 301.434 2.099 20 0 DEADHO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000303314444 637226425 /nfs/dbraw/zinc/22/64/25/637226425.db2.gz DZVUQDVVNCMWLK-FGTMMUONSA-N 1 3 315.461 2.285 20 0 DEADHO [NH3+]CCCCCCN1C[C@H](C[C@H]2COCCN2)c2ccccc21 ZINC000923538719 637237818 /nfs/dbraw/zinc/23/78/18/637237818.db2.gz AUAOCYWFKMTGGU-IRXDYDNUSA-N 1 3 317.477 2.488 20 0 DEADHO c1ccc2c(c1)[C@H](C[C@H]1COCCN1)CN2CCC[NH2+]C1CC1 ZINC000923546475 637240002 /nfs/dbraw/zinc/24/00/02/637240002.db2.gz VEMKOZPXOJEFGD-WBVHZDCISA-N 1 3 315.461 2.111 20 0 DEADHO C[C@H]([NH2+]CC1CC1)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001029107211 637239911 /nfs/dbraw/zinc/23/99/11/637239911.db2.gz JNVRFOQXGGSFIT-AWEZNQCLSA-N 1 3 307.482 2.097 20 0 DEADHO OC[C@H]1c2ccccc2OCCN1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923553577 637243785 /nfs/dbraw/zinc/24/37/85/637243785.db2.gz KPRDEADATDDQHZ-MMNRESRNSA-N 1 3 316.445 2.335 20 0 DEADHO CCCC[NH+]1CCC(N(C)C(=O)CN2CCC(C)CC2)CC1 ZINC001006182801 637268848 /nfs/dbraw/zinc/26/88/48/637268848.db2.gz GCNKSONYCLOHHD-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)[NH2+][C@@H](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001029160276 637281996 /nfs/dbraw/zinc/28/19/96/637281996.db2.gz ULTDDJKBSRVALB-INIZCTEOSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]([NH2+]CC1CCCC1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001029173255 637291485 /nfs/dbraw/zinc/29/14/85/637291485.db2.gz NFBSJQCRRQYUIF-MRXNPFEDSA-N 1 3 321.509 2.489 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]C(C)C)CC1 ZINC001029174015 637293719 /nfs/dbraw/zinc/29/37/19/637293719.db2.gz XGPJKLKIKOLUDY-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO CC1=NO[C@@H](CNCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000895311077 637914023 /nfs/dbraw/zinc/91/40/23/637914023.db2.gz OCKRLMIDKSFJCZ-GOSISDBHSA-N 1 3 317.433 2.416 20 0 DEADHO COc1ccc(OC)c([C@H](O)C[N@H+](C)C[C@H]2CCCN(C)C2)c1 ZINC000741252600 637957073 /nfs/dbraw/zinc/95/70/73/637957073.db2.gz RHHAXWDNKMXHKO-WMLDXEAASA-N 1 3 322.449 2.011 20 0 DEADHO COc1ccc(OC)c([C@H](O)C[N@@H+](C)C[C@H]2CCCN(C)C2)c1 ZINC000741252600 637957076 /nfs/dbraw/zinc/95/70/76/637957076.db2.gz RHHAXWDNKMXHKO-WMLDXEAASA-N 1 3 322.449 2.011 20 0 DEADHO CN(C)c1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]3CN)CC2)cc1 ZINC000841031749 650409654 /nfs/dbraw/zinc/40/96/54/650409654.db2.gz WLNBQMNCBNBAPE-DNVCBOLYSA-N 1 3 316.493 2.438 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CCN[C@@H](C)C2)C1 ZINC000841060655 650417823 /nfs/dbraw/zinc/41/78/23/650417823.db2.gz AGUJGQIGYFLODJ-CRWXNKLISA-N 1 3 318.408 2.474 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CCCCC2)C1 ZINC001029673894 639411845 /nfs/dbraw/zinc/41/18/45/639411845.db2.gz ANFSUJJWTOXOMB-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCCC2)C1 ZINC001029673894 639411849 /nfs/dbraw/zinc/41/18/49/639411849.db2.gz ANFSUJJWTOXOMB-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](C[N@H+](C)CC2CCCC2)C1 ZINC001029840493 639535771 /nfs/dbraw/zinc/53/57/71/639535771.db2.gz BLDJUXVRAJYCSI-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001029840493 639535773 /nfs/dbraw/zinc/53/57/73/639535773.db2.gz BLDJUXVRAJYCSI-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO C[NH+]1CCC([C@H]2CCN(CN3C(=O)C(C)(C)C3(C)C)C2)CC1 ZINC000755779034 639587706 /nfs/dbraw/zinc/58/77/06/639587706.db2.gz PQAIMAIUVRVVHL-HNNXBMFYSA-N 1 3 307.482 2.255 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[N@H+](C)CC2CC2)CC1 ZINC001030014700 640052476 /nfs/dbraw/zinc/05/24/76/640052476.db2.gz IHGDDKLUINONEH-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)CC2CC2)CC1 ZINC001030014700 640052477 /nfs/dbraw/zinc/05/24/77/640052477.db2.gz IHGDDKLUINONEH-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1[C@@H]([NH2+]CC2CCCCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987060633 640070433 /nfs/dbraw/zinc/07/04/33/640070433.db2.gz VVFLZAIIDAMWLA-CJNGLKHVSA-N 1 3 304.438 2.112 20 0 DEADHO C[C@@H]1[C@@H]([NH2+]Cc2ccccc2F)CCN1C(=O)CN1CCCC1 ZINC000987520305 640211235 /nfs/dbraw/zinc/21/12/35/640211235.db2.gz QZXCWFOGYFSABQ-PBHICJAKSA-N 1 3 319.424 2.001 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CCN2CCOC2=O)CC1 ZINC000763435050 640542405 /nfs/dbraw/zinc/54/24/05/640542405.db2.gz WZIZDQAOKDPEEV-INIZCTEOSA-N 1 3 323.481 2.415 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCC1CCN(CCN2CCOC2=O)CC1 ZINC000763435050 640542409 /nfs/dbraw/zinc/54/24/09/640542409.db2.gz WZIZDQAOKDPEEV-INIZCTEOSA-N 1 3 323.481 2.415 20 0 DEADHO Cc1nonc1[C@@H](C)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000925301302 640746993 /nfs/dbraw/zinc/74/69/93/640746993.db2.gz SCOVDPXXDYWBLP-GFCCVEGCSA-N 1 3 301.394 2.340 20 0 DEADHO CC(C)(C)N1CCC([NH2+]CCNC(=O)c2ccc(F)cc2)CC1 ZINC000765310533 640765046 /nfs/dbraw/zinc/76/50/46/640765046.db2.gz KYJCAHDIXHLBCA-UHFFFAOYSA-N 1 3 321.440 2.408 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCC[N@H+](CCC2CC2)CC1 ZINC000989728849 641211625 /nfs/dbraw/zinc/21/16/25/641211625.db2.gz YFQPQJPAGWXIPG-HOTGVXAUSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCC[N@@H+](CCC2CC2)CC1 ZINC000989728849 641211628 /nfs/dbraw/zinc/21/16/28/641211628.db2.gz YFQPQJPAGWXIPG-HOTGVXAUSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000989827141 641249378 /nfs/dbraw/zinc/24/93/78/641249378.db2.gz YZWDAIFVPCBJNY-RHSMWYFYSA-N 1 3 303.450 2.351 20 0 DEADHO C[NH+](C)C1CCN(CCN[C@@H]2CCc3ccc(Cl)nc32)CC1 ZINC000771180272 641476529 /nfs/dbraw/zinc/47/65/29/641476529.db2.gz WDHBGFQXDMNBHL-OAHLLOKOSA-N 1 3 322.884 2.338 20 0 DEADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccnn1C1CCC1 ZINC000924661658 641552000 /nfs/dbraw/zinc/55/20/00/641552000.db2.gz PDZVGEFESRPALR-MRXNPFEDSA-N 1 3 319.497 2.286 20 0 DEADHO CC(C)(C)OC(=O)N1CC[C@@H]1C[NH2+]C1CCN(CC2CC2)CC1 ZINC000927000147 641571623 /nfs/dbraw/zinc/57/16/23/641571623.db2.gz ARFIPPKFGQQZNI-MRXNPFEDSA-N 1 3 323.481 2.460 20 0 DEADHO CC(C)(C)OC(=O)N1CC[C@@H]1CNC1CC[NH+](CC2CC2)CC1 ZINC000927000147 641571626 /nfs/dbraw/zinc/57/16/26/641571626.db2.gz ARFIPPKFGQQZNI-MRXNPFEDSA-N 1 3 323.481 2.460 20 0 DEADHO CCCN1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)C1 ZINC000924751785 641975733 /nfs/dbraw/zinc/97/57/33/641975733.db2.gz LKWPAPDLTBKLCP-NXHRZFHOSA-N 1 3 304.482 2.453 20 0 DEADHO C[N@H+](CCNC(=O)c1ccc(NC2=NCCC2)cc1)C1CC1 ZINC000900367800 642344560 /nfs/dbraw/zinc/34/45/60/642344560.db2.gz VGYBZCYVKIVIBZ-UHFFFAOYSA-N 1 3 300.406 2.115 20 0 DEADHO C[N@@H+](CCNC(=O)c1ccc(NC2=NCCC2)cc1)C1CC1 ZINC000900367800 642344564 /nfs/dbraw/zinc/34/45/64/642344564.db2.gz VGYBZCYVKIVIBZ-UHFFFAOYSA-N 1 3 300.406 2.115 20 0 DEADHO c1ccc2c(c1)CC[C@@H]2CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000780284033 642608232 /nfs/dbraw/zinc/60/82/32/642608232.db2.gz APTZTMQIDYHYDV-LJQANCHMSA-N 1 3 313.489 2.430 20 0 DEADHO [NH3+]CCCC[C@H](NC[C@@H]1COCCO1)c1ccc(F)cc1F ZINC000902321717 642989960 /nfs/dbraw/zinc/98/99/60/642989960.db2.gz XMXKHUVDQNCYKM-CJNGLKHVSA-N 1 3 314.376 2.140 20 0 DEADHO CC1(C)C[NH2+]CC[C@@H](NCCC(=O)NCc2ccccc2)C1 ZINC000902339513 642999708 /nfs/dbraw/zinc/99/97/08/642999708.db2.gz RIQBYFXACLMNIE-MRXNPFEDSA-N 1 3 303.450 2.061 20 0 DEADHO COc1cc(NCCN[C@H]2CC[NH2+]CC(C)(C)C2)cc(OC)c1 ZINC000902362847 643020321 /nfs/dbraw/zinc/02/03/21/643020321.db2.gz SKHOUWKSJRKBLG-AWEZNQCLSA-N 1 3 321.465 2.484 20 0 DEADHO COC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H]1CCCOC1 ZINC000903221899 643294801 /nfs/dbraw/zinc/29/48/01/643294801.db2.gz UKTOSOWQXQJPEE-LRVKYRPXSA-N 1 3 308.466 2.175 20 0 DEADHO COC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H]1CCCOC1 ZINC000903221899 643294806 /nfs/dbraw/zinc/29/48/06/643294806.db2.gz UKTOSOWQXQJPEE-LRVKYRPXSA-N 1 3 308.466 2.175 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCCN(Cc2ccc(F)cc2)CC1 ZINC000903442031 643353778 /nfs/dbraw/zinc/35/37/78/643353778.db2.gz GPPWUZGTPHMMHZ-WBVHZDCISA-N 1 3 305.441 2.189 20 0 DEADHO CC(C)(C)NC(=O)[C@@H]1CCCN1Cc1cccc2c1CC[NH2+]C2 ZINC000903575988 643394919 /nfs/dbraw/zinc/39/49/19/643394919.db2.gz XUJQTFWYFJRUMW-KRWDZBQOSA-N 1 3 315.461 2.211 20 0 DEADHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786838999 643416736 /nfs/dbraw/zinc/41/67/36/643416736.db2.gz PLAZXQOBQWGVAC-HUUCEWRRSA-N 1 3 316.449 2.209 20 0 DEADHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786838999 643416740 /nfs/dbraw/zinc/41/67/40/643416740.db2.gz PLAZXQOBQWGVAC-HUUCEWRRSA-N 1 3 316.449 2.209 20 0 DEADHO Cc1cccc(OCCN(C)C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)c1 ZINC000903718572 643437704 /nfs/dbraw/zinc/43/77/04/643437704.db2.gz PCEPUHZLVPHTMY-QZTJIDSGSA-N 1 3 304.434 2.074 20 0 DEADHO CCOc1ccc(CN(C)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903718324 643438291 /nfs/dbraw/zinc/43/82/91/643438291.db2.gz KRXPCUUKLUYGON-ZWKOTPCHSA-N 1 3 304.434 2.286 20 0 DEADHO CN(CCOc1ccccc1F)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717459 643438299 /nfs/dbraw/zinc/43/82/99/643438299.db2.gz AQAWUNANEYWCBV-HNNXBMFYSA-N 1 3 322.424 2.295 20 0 DEADHO O=C(CC1CCN(C[C@H]2CCCC[NH2+]C2)CC1)N1CCCC1 ZINC000903721659 643439032 /nfs/dbraw/zinc/43/90/32/643439032.db2.gz CRJIYHZWVORZHZ-KRWDZBQOSA-N 1 3 307.482 2.101 20 0 DEADHO CC[C@H](C)NC(=O)[C@H](C)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793360 643457633 /nfs/dbraw/zinc/45/76/33/643457633.db2.gz BLESZDOHQFTNNM-HOTGVXAUSA-N 1 3 317.477 2.282 20 0 DEADHO C[C@H](C(=O)N1CCC(C)CC1)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000903789508 643463385 /nfs/dbraw/zinc/46/33/85/643463385.db2.gz WHQHFFYXHGOLGU-OAHLLOKOSA-N 1 3 309.498 2.330 20 0 DEADHO COCc1cccc(C[N@@H+]2CCNCCC23CCOCC3)c1 ZINC000903818949 643471716 /nfs/dbraw/zinc/47/17/16/643471716.db2.gz ZEPYITDJJXKAMA-UHFFFAOYSA-N 1 3 304.434 2.178 20 0 DEADHO COCc1cccc(C[N@H+]2CCNCCC23CCOCC3)c1 ZINC000903818949 643471719 /nfs/dbraw/zinc/47/17/19/643471719.db2.gz ZEPYITDJJXKAMA-UHFFFAOYSA-N 1 3 304.434 2.178 20 0 DEADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(CCCc1nc(-c3ccccc3)no1)C2 ZINC000903848354 643482786 /nfs/dbraw/zinc/48/27/86/643482786.db2.gz QHGBLHABJXXJLM-IMJJTQAJSA-N 1 3 312.417 2.481 20 0 DEADHO CCSCC[C@H](C)[N@H+](C)C[C@H](CN)Cc1cnn(C)c1C ZINC000903899503 643501164 /nfs/dbraw/zinc/50/11/64/643501164.db2.gz SMLJUBLDWXAJPB-ZFWWWQNUSA-N 1 3 312.527 2.309 20 0 DEADHO CCSCC[C@H](C)[N@@H+](C)C[C@H](CN)Cc1cnn(C)c1C ZINC000903899503 643501166 /nfs/dbraw/zinc/50/11/66/643501166.db2.gz SMLJUBLDWXAJPB-ZFWWWQNUSA-N 1 3 312.527 2.309 20 0 DEADHO C[C@H]1CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1CC(F)(F)F ZINC000903899965 643501830 /nfs/dbraw/zinc/50/18/30/643501830.db2.gz XDLSGJGKSNVNDR-FUDCBSFHSA-N 1 3 305.388 2.085 20 0 DEADHO Cn1cc(C[NH2+]C[C@@H]2CNCCC2(F)F)c(-c2ccccc2)n1 ZINC000903955580 643529291 /nfs/dbraw/zinc/52/92/91/643529291.db2.gz WLDHTRDRFAFMBL-HNNXBMFYSA-N 1 3 320.387 2.422 20 0 DEADHO C[C@H](NCC1([NH+]2CCCC2)CCOCC1)c1cc[nH]c(=O)c1 ZINC000788592666 643626589 /nfs/dbraw/zinc/62/65/89/643626589.db2.gz FBSBCDQLCRUBKD-AWEZNQCLSA-N 1 3 305.422 2.083 20 0 DEADHO C[C@]1(CN2CCC(OC[C@H]3CCCCO3)CC2)CCC[NH2+]C1 ZINC000904326420 643637646 /nfs/dbraw/zinc/63/76/46/643637646.db2.gz JESVUCAPUDBNKL-MSOLQXFVSA-N 1 3 310.482 2.426 20 0 DEADHO CC(C)(C)CC[C@H](N)C[NH2+]C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000904367454 643646879 /nfs/dbraw/zinc/64/68/79/643646879.db2.gz BAIJUYFCSHENKZ-ZBFHGGJFSA-N 1 3 323.456 2.213 20 0 DEADHO CCN1CCCN(C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC1 ZINC000904577313 643694272 /nfs/dbraw/zinc/69/42/72/643694272.db2.gz NTRCNTNLGXZMLO-UHFFFAOYSA-N 1 3 304.438 2.440 20 0 DEADHO C[C@H](C[NH2+]C[C@H](O)CC1(CO)CCCC1)CN1CCCCC1 ZINC000905054961 643775648 /nfs/dbraw/zinc/77/56/48/643775648.db2.gz MBUYLETWNCXJHW-IAGOWNOFSA-N 1 3 312.498 2.002 20 0 DEADHO C[C@H](CNC[C@H](O)CC1(CO)CCCC1)C[NH+]1CCCCC1 ZINC000905054961 643775649 /nfs/dbraw/zinc/77/56/49/643775649.db2.gz MBUYLETWNCXJHW-IAGOWNOFSA-N 1 3 312.498 2.002 20 0 DEADHO CC(C)CN1CCC([NH2+]C[C@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC000905066475 643785851 /nfs/dbraw/zinc/78/58/51/643785851.db2.gz RSORHXZGSNHQMF-RTBURBONSA-N 1 3 320.477 2.181 20 0 DEADHO C[NH+](C)CCCOc1ccc(CNC[C@](C)(O)C(F)F)cc1 ZINC000905098197 643799854 /nfs/dbraw/zinc/79/98/54/643799854.db2.gz RBQVEBYRNZSIHS-INIZCTEOSA-N 1 3 316.392 2.123 20 0 DEADHO Cc1cccc([C@H](O)C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000905129179 643804515 /nfs/dbraw/zinc/80/45/15/643804515.db2.gz WZXNFHVTMMSUED-QFBILLFUSA-N 1 3 318.461 2.119 20 0 DEADHO C[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc[nH]c(=O)c1 ZINC000791135496 643932888 /nfs/dbraw/zinc/93/28/88/643932888.db2.gz JOHBABZTNHXTIC-JQFCIGGWSA-N 1 3 319.449 2.206 20 0 DEADHO COc1ccc2c(c1)[nH+]ccc2N1CCN(C[C@H](C)O)C[C@@H]1C ZINC000795141328 644527394 /nfs/dbraw/zinc/52/73/94/644527394.db2.gz SHJMABFKMHRPJU-KBPBESRZSA-N 1 3 315.417 2.135 20 0 DEADHO COc1ccc2c(c1)nccc2N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000795141328 644527399 /nfs/dbraw/zinc/52/73/99/644527399.db2.gz SHJMABFKMHRPJU-KBPBESRZSA-N 1 3 315.417 2.135 20 0 DEADHO COc1ccc2c(c1)nccc2N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000795141328 644527402 /nfs/dbraw/zinc/52/74/02/644527402.db2.gz SHJMABFKMHRPJU-KBPBESRZSA-N 1 3 315.417 2.135 20 0 DEADHO [NH3+]CCOCCN(Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000843359597 650956932 /nfs/dbraw/zinc/95/69/32/650956932.db2.gz ZGAMZCMDHFAKGA-INIZCTEOSA-N 1 3 320.458 2.259 20 0 DEADHO C[NH+](C)C1CCC2(CC1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC000908503440 644891885 /nfs/dbraw/zinc/89/18/85/644891885.db2.gz KUGGWGIVKUZRFS-UHFFFAOYSA-N 1 3 304.438 2.065 20 0 DEADHO CN1CCN(C(=O)CC2CC[NH+](C)CC2)CC12CCCCC2 ZINC000908572603 644913745 /nfs/dbraw/zinc/91/37/45/644913745.db2.gz FPYZAVVGYQVTOT-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CCCCC[C@H](C)NC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843388562 650964416 /nfs/dbraw/zinc/96/44/16/650964416.db2.gz RSWVBCPGKLKKST-BBWFWOEESA-N 1 3 309.498 2.393 20 0 DEADHO CN1CCN(CC[NH2+]Cc2cncc3ccccc32)CC1(C)C ZINC000799347109 645162375 /nfs/dbraw/zinc/16/23/75/645162375.db2.gz WXHPDEYVLQBBMZ-UHFFFAOYSA-N 1 3 312.461 2.350 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000912524872 646097689 /nfs/dbraw/zinc/09/76/89/646097689.db2.gz XXGRBWWQKFMXFC-GVDBMIGSSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000912524872 646097692 /nfs/dbraw/zinc/09/76/92/646097692.db2.gz XXGRBWWQKFMXFC-GVDBMIGSSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[NH+](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC000809942809 646302041 /nfs/dbraw/zinc/30/20/41/646302041.db2.gz YDEMYHUKFISHQT-KRWDZBQOSA-N 1 3 315.477 2.434 20 0 DEADHO CC1CCN(CCNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000810133207 646329627 /nfs/dbraw/zinc/32/96/27/646329627.db2.gz DLHZVGPCYHPSSL-KRWDZBQOSA-N 1 3 313.461 2.047 20 0 DEADHO CC1CCN(CCNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000810133207 646329633 /nfs/dbraw/zinc/32/96/33/646329633.db2.gz DLHZVGPCYHPSSL-KRWDZBQOSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H]1CCCCN1CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810141553 646331262 /nfs/dbraw/zinc/33/12/62/646331262.db2.gz BITGTEDVOZIOJL-RHSMWYFYSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H]1CCCCN1CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810141553 646331268 /nfs/dbraw/zinc/33/12/68/646331268.db2.gz BITGTEDVOZIOJL-RHSMWYFYSA-N 1 3 313.461 2.190 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810379560 646358289 /nfs/dbraw/zinc/35/82/89/646358289.db2.gz ZVIFWIPSEPZPKZ-WMLDXEAASA-N 1 3 313.461 2.190 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810379560 646358295 /nfs/dbraw/zinc/35/82/95/646358295.db2.gz ZVIFWIPSEPZPKZ-WMLDXEAASA-N 1 3 313.461 2.190 20 0 DEADHO c1nncn1CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814223311 646864543 /nfs/dbraw/zinc/86/45/43/646864543.db2.gz FPBVOYIKZBDARZ-UHFFFAOYSA-N 1 3 311.433 2.224 20 0 DEADHO CC[N@@H+]1CC[C@@]2(NC(=O)c3cccc(CN(C)C)c3)CCC[C@H]12 ZINC000992505923 647077914 /nfs/dbraw/zinc/07/79/14/647077914.db2.gz IMRCXIRONSKMPM-HKUYNNGSSA-N 1 3 315.461 2.495 20 0 DEADHO CC[N@H+]1CC[C@@]2(NC(=O)c3cccc(CN(C)C)c3)CCC[C@H]12 ZINC000992505923 647077927 /nfs/dbraw/zinc/07/79/27/647077927.db2.gz IMRCXIRONSKMPM-HKUYNNGSSA-N 1 3 315.461 2.495 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCN1C ZINC000914100983 647155169 /nfs/dbraw/zinc/15/51/69/647155169.db2.gz UNLDUOCJPXYDQN-YYIAUSFCSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCN1C ZINC000914100983 647155175 /nfs/dbraw/zinc/15/51/75/647155175.db2.gz UNLDUOCJPXYDQN-YYIAUSFCSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]21 ZINC000992820673 647280406 /nfs/dbraw/zinc/28/04/06/647280406.db2.gz UDWWTMFCKXGCTL-YESZJQIVSA-N 1 3 321.509 2.343 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC[C@H](O)c1ccccc1Br ZINC000817937330 647386951 /nfs/dbraw/zinc/38/69/51/647386951.db2.gz YGIZRZLTOVQYGW-KWBADKCTSA-N 1 3 301.228 2.198 20 0 DEADHO COc1ccc([C@H](C)[NH2+]CC2(N)CCC2)cc1Cn1cccn1 ZINC000817965400 647395491 /nfs/dbraw/zinc/39/54/91/647395491.db2.gz TZYUYHFETBBGTQ-AWEZNQCLSA-N 1 3 314.433 2.472 20 0 DEADHO CC[C@@H](N)C[NH2+][C@@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000817980875 647400021 /nfs/dbraw/zinc/40/00/21/647400021.db2.gz YAPDGNMRKFWTCE-XJKSGUPXSA-N 1 3 302.422 2.328 20 0 DEADHO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H]1CCCCNC1 ZINC000817984390 647400650 /nfs/dbraw/zinc/40/06/50/647400650.db2.gz RXVSFHPCJNPNOM-RYUDHWBXSA-N 1 3 310.829 2.184 20 0 DEADHO COCC[N@H+](C)CCCNC[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000818958554 647549622 /nfs/dbraw/zinc/54/96/22/647549622.db2.gz QSAOQUKTHURRAT-OAHLLOKOSA-N 1 3 318.820 2.070 20 0 DEADHO COCC[N@@H+](C)CCCNC[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000818958554 647549625 /nfs/dbraw/zinc/54/96/25/647549625.db2.gz QSAOQUKTHURRAT-OAHLLOKOSA-N 1 3 318.820 2.070 20 0 DEADHO COCC[N@H+](C)CCCNC[C@H](O)c1ccc(Cl)c(F)c1 ZINC000818958553 647549651 /nfs/dbraw/zinc/54/96/51/647549651.db2.gz QSAOQUKTHURRAT-HNNXBMFYSA-N 1 3 318.820 2.070 20 0 DEADHO COCC[N@@H+](C)CCCNC[C@H](O)c1ccc(Cl)c(F)c1 ZINC000818958553 647549654 /nfs/dbraw/zinc/54/96/54/647549654.db2.gz QSAOQUKTHURRAT-HNNXBMFYSA-N 1 3 318.820 2.070 20 0 DEADHO Cc1cc(C)cc([C@@H](O)CNCCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000819264809 647621288 /nfs/dbraw/zinc/62/12/88/647621288.db2.gz GEIVPGVHUBMESH-MJGOQNOKSA-N 1 3 320.477 2.427 20 0 DEADHO Cc1cc(C)cc([C@@H](O)CNCCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000819264809 647621292 /nfs/dbraw/zinc/62/12/92/647621292.db2.gz GEIVPGVHUBMESH-MJGOQNOKSA-N 1 3 320.477 2.427 20 0 DEADHO C[NH+](C)CCCOc1cnccc1CNCC1(O)CCCCC1 ZINC000819317782 647633118 /nfs/dbraw/zinc/63/31/18/647633118.db2.gz ZSOVBKGUDAQELU-UHFFFAOYSA-N 1 3 321.465 2.197 20 0 DEADHO CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H]2CCN(C)[C@H]2C)CC1 ZINC000921362772 648294088 /nfs/dbraw/zinc/29/40/88/648294088.db2.gz ATRKKHXXKHFSBH-DOTOQJQBSA-N 1 3 324.513 2.136 20 0 DEADHO Cc1cccc(CN2CC[C@@H](NC(=O)CC[NH2+]C(C)(C)C)C2)c1 ZINC000828215875 649150463 /nfs/dbraw/zinc/15/04/63/649150463.db2.gz KCPMZQPCCYUUKS-QGZVFWFLSA-N 1 3 317.477 2.464 20 0 DEADHO CCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](C)C1 ZINC000942557842 649243555 /nfs/dbraw/zinc/24/35/55/649243555.db2.gz NWJPXIWROJFSAA-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](C)C1 ZINC000942557842 649243558 /nfs/dbraw/zinc/24/35/58/649243558.db2.gz NWJPXIWROJFSAA-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C[C@@H]1C ZINC000944447084 649527622 /nfs/dbraw/zinc/52/76/22/649527622.db2.gz XGHUOOGIMFLZDE-XJKSGUPXSA-N 1 3 318.465 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C[C@@H]1C ZINC000944447084 649527624 /nfs/dbraw/zinc/52/76/24/649527624.db2.gz XGHUOOGIMFLZDE-XJKSGUPXSA-N 1 3 318.465 2.277 20 0 DEADHO CN(C)CCN(Cc1ccccc1F)C(=O)CCCCC[NH3+] ZINC000831412876 649589024 /nfs/dbraw/zinc/58/90/24/649589024.db2.gz YMLSGKOSAIQIQU-UHFFFAOYSA-N 1 3 309.429 2.235 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000831960661 649663838 /nfs/dbraw/zinc/66/38/38/649663838.db2.gz MPPQYXSXOZVXCB-RYQLBKOJSA-N 1 3 315.461 2.155 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC(C)([NH+]2CCCCC2)CC1)N(C)C ZINC000832234253 649688481 /nfs/dbraw/zinc/68/84/81/649688481.db2.gz KJHHYSGYVRSCCV-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H](C(=O)Nc1cccc(OCC[NH3+])c1)N1CCCCCC1 ZINC000832606900 649728343 /nfs/dbraw/zinc/72/83/43/649728343.db2.gz NTTSJMASGLBMHI-CQSZACIVSA-N 1 3 305.422 2.227 20 0 DEADHO [NH3+]CCCCCCN1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000846220214 651315941 /nfs/dbraw/zinc/31/59/41/651315941.db2.gz KYVUZTAUUBZJIE-UHFFFAOYSA-N 1 3 310.873 2.372 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CC[C@@H](C)C3)CC2)CC1 ZINC000847845357 651422934 /nfs/dbraw/zinc/42/29/34/651422934.db2.gz OBAGDKZHWCJVAO-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO COC(=O)/C=C\c1ccc(CNCC2CC[NH+](C3CC3)CC2)o1 ZINC000848907104 651555023 /nfs/dbraw/zinc/55/50/23/651555023.db2.gz IMRQIGHXESWNLV-SREVYHEPSA-N 1 3 318.417 2.430 20 0 DEADHO CCc1ccc(NC(=[NH2+])NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000848999702 651576693 /nfs/dbraw/zinc/57/66/93/651576693.db2.gz GQSFXAKKGOPVBA-HZPDHXFCSA-N 1 3 302.422 2.048 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@@]1(C)c1ccccc1 ZINC000849010493 651581534 /nfs/dbraw/zinc/58/15/34/651581534.db2.gz SOEQVAPIUQVVQG-RYRKJORJSA-N 1 3 300.450 2.315 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC000849024533 651586781 /nfs/dbraw/zinc/58/67/81/651586781.db2.gz LAKDFNZFLAIFMY-HYVNUMGLSA-N 1 3 316.449 2.149 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC2(CCCC2)O1 ZINC000849049352 651595391 /nfs/dbraw/zinc/59/53/91/651595391.db2.gz MYQNDRQNOVIIPX-LSDHHAIUSA-N 1 3 308.470 2.076 20 0 DEADHO C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc2c(c1)CCCO2 ZINC000850426842 651926938 /nfs/dbraw/zinc/92/69/38/651926938.db2.gz FZPQENQVLBTIHT-PBHICJAKSA-N 1 3 304.434 2.119 20 0 DEADHO [NH3+]CCCCCCCN[C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000857087792 652048548 /nfs/dbraw/zinc/04/85/48/652048548.db2.gz VNGUKDZIMKQGRP-MRXNPFEDSA-N 1 3 310.463 2.155 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCc3cn[nH]c32)C[C@@H](C)O1 ZINC000857860266 652189266 /nfs/dbraw/zinc/18/92/66/652189266.db2.gz TUQJDBAIUJOVEM-FMKPAKJESA-N 1 3 306.454 2.266 20 0 DEADHO O=C1CC[C@H](C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)O1 ZINC000852039228 652320500 /nfs/dbraw/zinc/32/05/00/652320500.db2.gz CYRIPWZIHRKZLN-IEBWSBKVSA-N 1 3 314.429 2.290 20 0 DEADHO O=C1CC[C@H](C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)O1 ZINC000852039228 652320502 /nfs/dbraw/zinc/32/05/02/652320502.db2.gz CYRIPWZIHRKZLN-IEBWSBKVSA-N 1 3 314.429 2.290 20 0 DEADHO C[C@H](CNC(=O)C[C@@H]1NCc2ccccc21)[NH+]1CCCCC1 ZINC000852792719 652457973 /nfs/dbraw/zinc/45/79/73/652457973.db2.gz AHGLMHFGRKQYPX-PBHICJAKSA-N 1 3 301.434 2.212 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)NC/C=C/Cl ZINC001371199932 1155779755 /nfs/dbraw/zinc/77/97/55/1155779755.db2.gz JKLRZEQOSYKFGH-JHTAHENJSA-N 1 3 313.873 2.240 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)NC/C=C/Cl ZINC001371199932 1155779763 /nfs/dbraw/zinc/77/97/63/1155779763.db2.gz JKLRZEQOSYKFGH-JHTAHENJSA-N 1 3 313.873 2.240 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001390542962 1155800812 /nfs/dbraw/zinc/80/08/12/1155800812.db2.gz UONNVNURAHTPMF-KBPBESRZSA-N 1 3 309.429 2.321 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC(C)C1 ZINC001393880245 1158040604 /nfs/dbraw/zinc/04/06/04/1158040604.db2.gz BHSNZCPOYWPQIC-OFLPRAFFSA-N 1 3 309.498 2.297 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC(C)C1 ZINC001393880245 1158040613 /nfs/dbraw/zinc/04/06/13/1158040613.db2.gz BHSNZCPOYWPQIC-OFLPRAFFSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H](CCNC(=O)[C@H](N)CC1CC1)[N@H+](C)Cc1ccccc1 ZINC000379681200 685392372 /nfs/dbraw/zinc/39/23/72/685392372.db2.gz PQJQKJSDLCYRIS-RHSMWYFYSA-N 1 3 303.450 2.141 20 0 DEADHO C[C@H](CCNC(=O)[C@H](N)CC1CC1)[N@@H+](C)Cc1ccccc1 ZINC000379681200 685392378 /nfs/dbraw/zinc/39/23/78/685392378.db2.gz PQJQKJSDLCYRIS-RHSMWYFYSA-N 1 3 303.450 2.141 20 0 DEADHO C[C@@H]1[C@H](NC(=O)c2ccc(NC3=NCCC3)cc2)CC[N@@H+]1C ZINC000928428345 693776459 /nfs/dbraw/zinc/77/64/59/693776459.db2.gz MNCCJNQVCJNDQZ-IUODEOHRSA-N 1 3 300.406 2.113 20 0 DEADHO C[C@@H]1[C@H](NC(=O)c2ccc(NC3=NCCC3)cc2)CC[N@H+]1C ZINC000928428345 693776462 /nfs/dbraw/zinc/77/64/62/693776462.db2.gz MNCCJNQVCJNDQZ-IUODEOHRSA-N 1 3 300.406 2.113 20 0 DEADHO COc1ccc(C(C)(C)[NH2+]C[C@@H](O)CN2CCCC2)cc1F ZINC000859641892 685781685 /nfs/dbraw/zinc/78/16/85/685781685.db2.gz MSYRKYFASHRBLW-CQSZACIVSA-N 1 3 310.413 2.116 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000929470171 693962349 /nfs/dbraw/zinc/96/23/49/693962349.db2.gz ZJRJZHYOPMOSTK-ZWKOTPCHSA-N 1 3 317.477 2.148 20 0 DEADHO CC(=O)NCC1CCC([NH2+]C[C@H]2CCCN(C(C)C)C2)CC1 ZINC000865450454 687216642 /nfs/dbraw/zinc/21/66/42/687216642.db2.gz PMFCHDJIWYJJDX-LXPRWKDFSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H](CCc1cccnc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000866351482 687544395 /nfs/dbraw/zinc/54/43/95/687544395.db2.gz AOQIBULUWMOAPG-INIZCTEOSA-N 1 3 304.482 2.018 20 0 DEADHO CC(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001016614484 687664582 /nfs/dbraw/zinc/66/45/82/687664582.db2.gz ORECRZDUUDPMGE-IAGOWNOFSA-N 1 3 321.509 2.486 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCC)CC2 ZINC001016652734 687674781 /nfs/dbraw/zinc/67/47/81/687674781.db2.gz VZTYKBRQJOZSOH-HOTGVXAUSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)C[NH+]1CCC2(C[C@@H]2NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001016829623 687711512 /nfs/dbraw/zinc/71/15/12/687711512.db2.gz MHOHRVOMYNUXMX-HOTGVXAUSA-N 1 3 307.482 2.097 20 0 DEADHO CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001016861053 687720950 /nfs/dbraw/zinc/72/09/50/687720950.db2.gz NNEQLRVSKRKWGL-CVEARBPZSA-N 1 3 307.482 2.242 20 0 DEADHO CC1(C)[C@H](N)c2ccccc2N1C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000867988508 687863467 /nfs/dbraw/zinc/86/34/67/687863467.db2.gz NELXHMOAOQUMOC-WCQYABFASA-N 1 3 309.360 2.056 20 0 DEADHO CN1CCC[C@H](NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC000868363056 687991350 /nfs/dbraw/zinc/99/13/50/687991350.db2.gz ITCQWTHEYYSOPT-DOTOQJQBSA-N 1 3 322.497 2.177 20 0 DEADHO CN1CCC[C@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC000868363056 687991353 /nfs/dbraw/zinc/99/13/53/687991353.db2.gz ITCQWTHEYYSOPT-DOTOQJQBSA-N 1 3 322.497 2.177 20 0 DEADHO CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001018302371 688105723 /nfs/dbraw/zinc/10/57/23/688105723.db2.gz DGSNFLGMUAXCJB-CALCHBBNSA-N 1 3 307.482 2.338 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001018635100 688190589 /nfs/dbraw/zinc/19/05/89/688190589.db2.gz NBFUMINOZYUKKR-IRXDYDNUSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)c1 ZINC001018965124 688262933 /nfs/dbraw/zinc/26/29/33/688262933.db2.gz UABRGEBEBWMPPH-ROUUACIJSA-N 1 3 315.461 2.026 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001018998986 688267263 /nfs/dbraw/zinc/26/72/63/688267263.db2.gz BRWFKRIJNFMTBT-HOTGVXAUSA-N 1 3 309.498 2.199 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cc(C)ccc2C)C1)N(C)C ZINC001019032487 688273514 /nfs/dbraw/zinc/27/35/14/688273514.db2.gz ZQJXDFPHPQEORU-ZWKOTPCHSA-N 1 3 317.477 2.334 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001019241613 688305475 /nfs/dbraw/zinc/30/54/75/688305475.db2.gz OINHVGUTSPKHDT-XYJFISCASA-N 1 3 315.461 2.341 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001019380727 688343704 /nfs/dbraw/zinc/34/37/04/688343704.db2.gz KHWIPUXHZGFAOT-WBVHZDCISA-N 1 3 305.466 2.162 20 0 DEADHO COc1ccc2c(c1)C[C@H](C[N@@H+]1CCC[C@@]3(CCN(C)C3)C1)O2 ZINC000930601378 694197878 /nfs/dbraw/zinc/19/78/78/694197878.db2.gz HEUFOJDZUKNSKC-MJGOQNOKSA-N 1 3 316.445 2.416 20 0 DEADHO COc1ccc2c(c1)C[C@H](C[N@H+]1CCC[C@@]3(CCN(C)C3)C1)O2 ZINC000930601378 694197881 /nfs/dbraw/zinc/19/78/81/694197881.db2.gz HEUFOJDZUKNSKC-MJGOQNOKSA-N 1 3 316.445 2.416 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC(C[N@H+](C)CC2CC2)CC1)N(C)C ZINC001029992982 688585320 /nfs/dbraw/zinc/58/53/20/688585320.db2.gz PTQPNPWFBDKWPM-QGZVFWFLSA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC(C[N@@H+](C)CC2CC2)CC1)N(C)C ZINC001029992982 688585323 /nfs/dbraw/zinc/58/53/23/688585323.db2.gz PTQPNPWFBDKWPM-QGZVFWFLSA-N 1 3 309.498 2.153 20 0 DEADHO C[C@H](CNC(=O)CCC12CC(C1)C[NH2+]2)N(C)Cc1ccccc1 ZINC000870885048 688678346 /nfs/dbraw/zinc/67/83/46/688678346.db2.gz JIIKQLUPKBJPCI-LSJNQWAISA-N 1 3 315.461 2.155 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)CC[NH2+]CC1CC1 ZINC000870902373 688681388 /nfs/dbraw/zinc/68/13/88/688681388.db2.gz QLERVBJUFCAEHE-UHFFFAOYSA-N 1 3 309.479 2.028 20 0 DEADHO CC[N@@H+]1CC[C@H](NCCOC(F)(F)C(F)(F)F)[C@@H](C)C1 ZINC000872110799 688931175 /nfs/dbraw/zinc/93/11/75/688931175.db2.gz QMUBHAFEYJCDHM-UWVGGRQHSA-N 1 3 304.303 2.478 20 0 DEADHO CC[N@H+]1CC[C@H](NCCOC(F)(F)C(F)(F)F)[C@@H](C)C1 ZINC000872110799 688931178 /nfs/dbraw/zinc/93/11/78/688931178.db2.gz QMUBHAFEYJCDHM-UWVGGRQHSA-N 1 3 304.303 2.478 20 0 DEADHO C([C@@H]1CC2(CO1)CCOCC2)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000872143411 688935334 /nfs/dbraw/zinc/93/53/34/688935334.db2.gz RTHJBXAVZRVLEW-YESZJQIVSA-N 1 3 308.466 2.036 20 0 DEADHO CC(C)CNC(=O)CN1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156728 688940551 /nfs/dbraw/zinc/94/05/51/688940551.db2.gz CRSDPTHCTLRZJF-RDJZCZTQSA-N 1 3 309.498 2.378 20 0 DEADHO CC(C)OC[C@@H](O)C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000872205477 688951981 /nfs/dbraw/zinc/95/19/81/688951981.db2.gz IAUHGNLFVNYKAL-WDSOQIARSA-N 1 3 320.477 2.273 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2ccccc2)C1 ZINC001031666086 688976708 /nfs/dbraw/zinc/97/67/08/688976708.db2.gz LGJZRKJVGKPJON-SFHVURJKSA-N 1 3 315.461 2.107 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2ccccc2)C1 ZINC001031666086 688976710 /nfs/dbraw/zinc/97/67/10/688976710.db2.gz LGJZRKJVGKPJON-SFHVURJKSA-N 1 3 315.461 2.107 20 0 DEADHO O[C@H](CNc1cc[nH+]cc1C1CC1)CN1CCc2ccccc2C1 ZINC000872407805 688994433 /nfs/dbraw/zinc/99/44/33/688994433.db2.gz DHLKBVGQGIALDR-GOSISDBHSA-N 1 3 323.440 2.212 20 0 DEADHO CC[C@H](C)C[NH+]1CC(CNC(=O)c2ccccc2CN(C)C)C1 ZINC001032205303 689083282 /nfs/dbraw/zinc/08/32/82/689083282.db2.gz VDPPPGWBSXKXKB-HNNXBMFYSA-N 1 3 317.477 2.456 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)N(C)C ZINC001032459752 689156260 /nfs/dbraw/zinc/15/62/60/689156260.db2.gz LPHDYWRYJOQSAO-ULQDDVLXSA-N 1 3 309.498 2.294 20 0 DEADHO CCC(CC)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)N(C)C ZINC001032459752 689156261 /nfs/dbraw/zinc/15/62/61/689156261.db2.gz LPHDYWRYJOQSAO-ULQDDVLXSA-N 1 3 309.498 2.294 20 0 DEADHO CN(C)C(=O)CC1CCN(Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873210000 689184662 /nfs/dbraw/zinc/18/46/62/689184662.db2.gz ULRRUNLTBAAUBE-UHFFFAOYSA-N 1 3 321.490 2.084 20 0 DEADHO Brc1ccc2c(c1)[C@@H]1[C@H](C2)[C@@H]1NC1CC[NH2+]CC1 ZINC000873222644 689187408 /nfs/dbraw/zinc/18/74/08/689187408.db2.gz CJXJNNFSEAIUEP-ZNMIVQPWSA-N 1 3 307.235 2.429 20 0 DEADHO Brc1ccc2c(c1)[C@@H]1[C@H](C2)[C@@H]1[NH2+]C1CCNCC1 ZINC000873222644 689187412 /nfs/dbraw/zinc/18/74/12/689187412.db2.gz CJXJNNFSEAIUEP-ZNMIVQPWSA-N 1 3 307.235 2.429 20 0 DEADHO C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3CC2CC(C)(C)C2)CC1 ZINC001032603317 689198243 /nfs/dbraw/zinc/19/82/43/689198243.db2.gz WWLKBWNYVKDNJQ-IRXDYDNUSA-N 1 3 319.493 2.050 20 0 DEADHO c1cnc2cccc(CN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)c2c1 ZINC000873284978 689202864 /nfs/dbraw/zinc/20/28/64/689202864.db2.gz WJYFWOLMJCFSGH-YTQUADARSA-N 1 3 311.429 2.482 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CCC[C@@H]1C ZINC001032626688 689205545 /nfs/dbraw/zinc/20/55/45/689205545.db2.gz KAOKYVXAADUYCK-XIRDDKMYSA-N 1 3 307.482 2.192 20 0 DEADHO CCC(CC)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CCC[C@@H]1C ZINC001032626688 689205549 /nfs/dbraw/zinc/20/55/49/689205549.db2.gz KAOKYVXAADUYCK-XIRDDKMYSA-N 1 3 307.482 2.192 20 0 DEADHO C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CC1)[NH+]1CCCCCC1 ZINC001032665034 689218074 /nfs/dbraw/zinc/21/80/74/689218074.db2.gz WPQYFLHAOZSKSP-SZMVWBNQSA-N 1 3 319.493 2.336 20 0 DEADHO CC(C)=CCN1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033143682 689402931 /nfs/dbraw/zinc/40/29/31/689402931.db2.gz JQKXHCZXPAIZIX-ROUUACIJSA-N 1 3 321.509 2.463 20 0 DEADHO CC(C)=CCN1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033143682 689402933 /nfs/dbraw/zinc/40/29/33/689402933.db2.gz JQKXHCZXPAIZIX-ROUUACIJSA-N 1 3 321.509 2.463 20 0 DEADHO CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001033296723 689452339 /nfs/dbraw/zinc/45/23/39/689452339.db2.gz YEYQVNCTVJDIKD-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001033296723 689452341 /nfs/dbraw/zinc/45/23/41/689452341.db2.gz YEYQVNCTVJDIKD-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO CC[C@H](CO)[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000931094340 694314359 /nfs/dbraw/zinc/31/43/59/694314359.db2.gz MXXVNCDVZLKZKU-SJLPKXTDSA-N 1 3 321.465 2.146 20 0 DEADHO CC[C@H](CO)[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000931094340 694314363 /nfs/dbraw/zinc/31/43/63/694314363.db2.gz MXXVNCDVZLKZKU-SJLPKXTDSA-N 1 3 321.465 2.146 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001034329283 689811826 /nfs/dbraw/zinc/81/18/26/689811826.db2.gz GJSGOONOEAPZNY-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001034329283 689811830 /nfs/dbraw/zinc/81/18/30/689811830.db2.gz GJSGOONOEAPZNY-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000876728464 689918494 /nfs/dbraw/zinc/91/84/94/689918494.db2.gz MWNRBYQKJLGIKK-UHFFFAOYSA-N 1 3 317.433 2.228 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876883444 689963681 /nfs/dbraw/zinc/96/36/81/689963681.db2.gz BWHLTFBJSJRMEO-MVGZEHJDSA-N 1 3 321.490 2.194 20 0 DEADHO C[C@H](NC1CC[NH+](CC(C)(C)O)CC1)[C@@H](O)c1ccc(F)cc1 ZINC000877034634 690003672 /nfs/dbraw/zinc/00/36/72/690003672.db2.gz LZVASQICEGRWBN-SUMWQHHRSA-N 1 3 324.440 2.073 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CC2=CCCCC2)C1 ZINC001035050166 690021070 /nfs/dbraw/zinc/02/10/70/690021070.db2.gz WKOZNXIQZYGREQ-FUHWJXTLSA-N 1 3 319.493 2.409 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)c1 ZINC000877154708 690032264 /nfs/dbraw/zinc/03/22/64/690032264.db2.gz XIPMJWKPPZJGRW-INIZCTEOSA-N 1 3 303.450 2.256 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000877450410 690116843 /nfs/dbraw/zinc/11/68/43/690116843.db2.gz GWMOARLIYSEFBB-NVXWUHKLSA-N 1 3 309.498 2.474 20 0 DEADHO CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001035668552 690147486 /nfs/dbraw/zinc/14/74/86/690147486.db2.gz IABCSULJBKCTEO-HOTGVXAUSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@H](C(=O)N1CCC2(C[NH+](C[C@@H](C)CC)C2)CC1)N(C)C ZINC001035731813 690163130 /nfs/dbraw/zinc/16/31/30/690163130.db2.gz NCXNWJJLCGGKLP-JKSUJKDBSA-N 1 3 309.498 2.297 20 0 DEADHO COCCN(Cc1cccc(F)c1N)CC1CC[NH+](C)CC1 ZINC000877664228 690182735 /nfs/dbraw/zinc/18/27/35/690182735.db2.gz KKDXGBZGAZPAGB-UHFFFAOYSA-N 1 3 309.429 2.198 20 0 DEADHO C[C@@H]([NH2+]CC1CCC1)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001036411379 690344411 /nfs/dbraw/zinc/34/44/11/690344411.db2.gz KDKBWSFYLMTLCW-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C[C@H]2CC3(CO2)CCOCC3)[C@H](C)C1 ZINC000878258035 690359693 /nfs/dbraw/zinc/35/96/93/690359693.db2.gz MLUPVKYZCJABJQ-ZACQAIPSSA-N 1 3 310.482 2.234 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C[C@H]2CC3(CO2)CCOCC3)[C@H](C)C1 ZINC000878258035 690359697 /nfs/dbraw/zinc/35/96/97/690359697.db2.gz MLUPVKYZCJABJQ-ZACQAIPSSA-N 1 3 310.482 2.234 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CC3CC3)C2)C1 ZINC001036820444 690485578 /nfs/dbraw/zinc/48/55/78/690485578.db2.gz IYMFRIUWMTYIRA-IAGOWNOFSA-N 1 3 319.493 2.051 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CC3CC3)C2)C1 ZINC001036820444 690485581 /nfs/dbraw/zinc/48/55/81/690485581.db2.gz IYMFRIUWMTYIRA-IAGOWNOFSA-N 1 3 319.493 2.051 20 0 DEADHO CCC[N@@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820812 690485811 /nfs/dbraw/zinc/48/58/11/690485811.db2.gz PBAKPCBEZBCVHT-HOTGVXAUSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820812 690485814 /nfs/dbraw/zinc/48/58/14/690485814.db2.gz PBAKPCBEZBCVHT-HOTGVXAUSA-N 1 3 307.482 2.051 20 0 DEADHO CCc1ccc(CN(CCOC)CC2CC[NH+](C)CC2)nc1 ZINC000879125739 690573409 /nfs/dbraw/zinc/57/34/09/690573409.db2.gz HLCYJUXOKHPPRF-UHFFFAOYSA-N 1 3 305.466 2.434 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC1CCCC1 ZINC001037155912 690582300 /nfs/dbraw/zinc/58/23/00/690582300.db2.gz BXGRDNFTEULOKV-HOTGVXAUSA-N 1 3 318.465 2.325 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001038327829 690783716 /nfs/dbraw/zinc/78/37/16/690783716.db2.gz KIEJLZWYIWEOQC-DLBZAZTESA-N 1 3 321.509 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001038327829 690783721 /nfs/dbraw/zinc/78/37/21/690783721.db2.gz KIEJLZWYIWEOQC-DLBZAZTESA-N 1 3 321.509 2.488 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCN2CCC2CC2)C1 ZINC001038620689 690877768 /nfs/dbraw/zinc/87/77/68/690877768.db2.gz CHPSQNJDQWZSOI-IAGOWNOFSA-N 1 3 307.482 2.099 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CCN2CCC2CC2)C1 ZINC001038620689 690877770 /nfs/dbraw/zinc/87/77/70/690877770.db2.gz CHPSQNJDQWZSOI-IAGOWNOFSA-N 1 3 307.482 2.099 20 0 DEADHO CC1(N2CCC2)CC[NH+](C[C@@H]2CCC3(CCOCC3)O2)CC1 ZINC000880476226 690906727 /nfs/dbraw/zinc/90/67/27/690906727.db2.gz RGDZSCXXWRTMDH-INIZCTEOSA-N 1 3 308.466 2.275 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001039111754 691022432 /nfs/dbraw/zinc/02/24/32/691022432.db2.gz ADYTUVQRNPNKQJ-QZTJIDSGSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001039111754 691022434 /nfs/dbraw/zinc/02/24/34/691022434.db2.gz ADYTUVQRNPNKQJ-QZTJIDSGSA-N 1 3 321.509 2.297 20 0 DEADHO CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001039154109 691034357 /nfs/dbraw/zinc/03/43/57/691034357.db2.gz PXXJVFAJSFHLEO-DLBZAZTESA-N 1 3 309.498 2.153 20 0 DEADHO CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001039154109 691034358 /nfs/dbraw/zinc/03/43/58/691034358.db2.gz PXXJVFAJSFHLEO-DLBZAZTESA-N 1 3 309.498 2.153 20 0 DEADHO CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001039165694 691037812 /nfs/dbraw/zinc/03/78/12/691037812.db2.gz RHOYHPYTVUKPEO-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001039165694 691037816 /nfs/dbraw/zinc/03/78/16/691037816.db2.gz RHOYHPYTVUKPEO-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001039486624 691118020 /nfs/dbraw/zinc/11/80/20/691118020.db2.gz ONGAZRDPWAINOQ-QGZVFWFLSA-N 1 3 307.482 2.050 20 0 DEADHO CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001039486624 691118021 /nfs/dbraw/zinc/11/80/21/691118021.db2.gz ONGAZRDPWAINOQ-QGZVFWFLSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001040239895 691218697 /nfs/dbraw/zinc/21/86/97/691218697.db2.gz ALFRQZJPJVVEIB-IEBWSBKVSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001040239895 691218702 /nfs/dbraw/zinc/21/87/02/691218702.db2.gz ALFRQZJPJVVEIB-IEBWSBKVSA-N 1 3 321.509 2.297 20 0 DEADHO CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001040241860 691219281 /nfs/dbraw/zinc/21/92/81/691219281.db2.gz UMQJOCQPFMQIKT-AEFFLSMTSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001040241860 691219284 /nfs/dbraw/zinc/21/92/84/691219284.db2.gz UMQJOCQPFMQIKT-AEFFLSMTSA-N 1 3 307.482 2.051 20 0 DEADHO CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001041672331 691407453 /nfs/dbraw/zinc/40/74/53/691407453.db2.gz BGCPTVDKCIFNLF-SJLPKXTDSA-N 1 3 307.482 2.195 20 0 DEADHO CCCC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001041672331 691407455 /nfs/dbraw/zinc/40/74/55/691407455.db2.gz BGCPTVDKCIFNLF-SJLPKXTDSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@]3(CC[N@H+](CC4CCC4)C3)C2)C1 ZINC001041678949 691409771 /nfs/dbraw/zinc/40/97/71/691409771.db2.gz KBUTZZHKPMJCBB-LPHOPBHVSA-N 1 3 319.493 2.053 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@]3(CC[N@@H+](CC4CCC4)C3)C2)C1 ZINC001041678949 691409772 /nfs/dbraw/zinc/40/97/72/691409772.db2.gz KBUTZZHKPMJCBB-LPHOPBHVSA-N 1 3 319.493 2.053 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001041846023 691444074 /nfs/dbraw/zinc/44/40/74/691444074.db2.gz VDIIOECIVIZEAE-SJLPKXTDSA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@H+](C(C)C)C2)C1 ZINC001041846023 691444077 /nfs/dbraw/zinc/44/40/77/691444077.db2.gz VDIIOECIVIZEAE-SJLPKXTDSA-N 1 3 307.482 2.194 20 0 DEADHO CCCN1CCC([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)CC1 ZINC000883358664 691488430 /nfs/dbraw/zinc/48/84/30/691488430.db2.gz PBAIYWCSAYSSQW-JTQLQIEISA-N 1 3 304.303 2.009 20 0 DEADHO O[C@H](C[NH2+]C1CCN(CC2CC2)CC1)C(F)(F)C(F)(F)F ZINC000883360265 691489079 /nfs/dbraw/zinc/48/90/79/691489079.db2.gz YUJZOGSUOHLRIK-LLVKDONJSA-N 1 3 316.314 2.009 20 0 DEADHO CCC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001042185385 691531880 /nfs/dbraw/zinc/53/18/80/691531880.db2.gz BIHKKOJMNHGFHI-HOTGVXAUSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001042185385 691531882 /nfs/dbraw/zinc/53/18/82/691531882.db2.gz BIHKKOJMNHGFHI-HOTGVXAUSA-N 1 3 307.482 2.194 20 0 DEADHO N[C@H](CC1CC1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000884180812 691675725 /nfs/dbraw/zinc/67/57/25/691675725.db2.gz KZMABCVDTSWAGH-QGZVFWFLSA-N 1 3 301.434 2.026 20 0 DEADHO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000884291577 691701724 /nfs/dbraw/zinc/70/17/24/691701724.db2.gz BPZYSLTWBHRGRP-OAHLLOKOSA-N 1 3 305.422 2.117 20 0 DEADHO CC(C)[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001045942877 692059392 /nfs/dbraw/zinc/05/93/92/692059392.db2.gz BWVDUAXWGXJVSM-MJGOQNOKSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001045942877 692059395 /nfs/dbraw/zinc/05/93/95/692059395.db2.gz BWVDUAXWGXJVSM-MJGOQNOKSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001045967629 692064301 /nfs/dbraw/zinc/06/43/01/692064301.db2.gz YXFYIRJFEULYEK-HKUYNNGSSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001045967629 692064304 /nfs/dbraw/zinc/06/43/04/692064304.db2.gz YXFYIRJFEULYEK-HKUYNNGSSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1C[C@]2(CC[C@@H](CNC3CC[NH+](CC4CC4)CC3)O2)CO1 ZINC000886761462 692185383 /nfs/dbraw/zinc/18/53/83/692185383.db2.gz FFCQBDNDBPIACO-FHLIZLRMSA-N 1 3 308.466 2.177 20 0 DEADHO CC(C)[NH+]1CCC(NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)CC1 ZINC000886771938 692188298 /nfs/dbraw/zinc/18/82/98/692188298.db2.gz QGUFOGNUWXMKJQ-MXSMSXNCSA-N 1 3 310.482 2.421 20 0 DEADHO C[C@@H]([NH2+]CC1CCC1)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047865127 692503596 /nfs/dbraw/zinc/50/35/96/692503596.db2.gz QEZYIKQPONTYSK-ZBFHGGJFSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]([NH2+]Cc1ccsc1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047986814 692528259 /nfs/dbraw/zinc/52/82/59/692528259.db2.gz FSSCGGRUUCSQGS-OCCSQVGLSA-N 1 3 318.446 2.041 20 0 DEADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001048397898 692611733 /nfs/dbraw/zinc/61/17/33/692611733.db2.gz NFYBAHFHZKGDIO-GDBMZVCRSA-N 1 3 316.449 2.137 20 0 DEADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001048397901 692611779 /nfs/dbraw/zinc/61/17/79/692611779.db2.gz NFYBAHFHZKGDIO-ZBFHGGJFSA-N 1 3 316.449 2.137 20 0 DEADHO CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001048481186 692627350 /nfs/dbraw/zinc/62/73/50/692627350.db2.gz YGXLVYXSKVVDSE-WMLDXEAASA-N 1 3 303.450 2.066 20 0 DEADHO CCC(CC)C[N@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001048864505 692712867 /nfs/dbraw/zinc/71/28/67/692712867.db2.gz IAQQTOOQQKBGTK-CALCHBBNSA-N 1 3 321.509 2.297 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001048864505 692712868 /nfs/dbraw/zinc/71/28/68/692712868.db2.gz IAQQTOOQQKBGTK-CALCHBBNSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@@H]2C1)N(C)C ZINC001049038046 692749381 /nfs/dbraw/zinc/74/93/81/692749381.db2.gz DUVWFSULKYCKBT-IXDOHACOSA-N 1 3 323.525 2.399 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCC(C)(C)C)C[C@@H]2C1)N(C)C ZINC001049038046 692749382 /nfs/dbraw/zinc/74/93/82/692749382.db2.gz DUVWFSULKYCKBT-IXDOHACOSA-N 1 3 323.525 2.399 20 0 DEADHO CC(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001049039103 692749652 /nfs/dbraw/zinc/74/96/52/692749652.db2.gz OGIFSPXETAQEHN-IXDOHACOSA-N 1 3 309.498 2.009 20 0 DEADHO CC(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001049039103 692749657 /nfs/dbraw/zinc/74/96/57/692749657.db2.gz OGIFSPXETAQEHN-IXDOHACOSA-N 1 3 309.498 2.009 20 0 DEADHO CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001049097096 692763214 /nfs/dbraw/zinc/76/32/14/692763214.db2.gz FSNZJOBMIBVWPV-BBWFWOEESA-N 1 3 307.482 2.050 20 0 DEADHO CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001049097096 692763218 /nfs/dbraw/zinc/76/32/18/692763218.db2.gz FSNZJOBMIBVWPV-BBWFWOEESA-N 1 3 307.482 2.050 20 0 DEADHO CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCCN1C(C)C ZINC001049766504 692993253 /nfs/dbraw/zinc/99/32/53/692993253.db2.gz LSBGBQSCCMVWRH-GVDBMIGSSA-N 1 3 307.482 2.335 20 0 DEADHO CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCCN1C(C)C ZINC001049766504 692993256 /nfs/dbraw/zinc/99/32/56/692993256.db2.gz LSBGBQSCCMVWRH-GVDBMIGSSA-N 1 3 307.482 2.335 20 0 DEADHO CC(C)[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001050104573 693108719 /nfs/dbraw/zinc/10/87/19/693108719.db2.gz WRSMFFXUCVIFBP-RCCFBDPRSA-N 1 3 319.493 2.192 20 0 DEADHO CC(C)[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001050104573 693108723 /nfs/dbraw/zinc/10/87/23/693108723.db2.gz WRSMFFXUCVIFBP-RCCFBDPRSA-N 1 3 319.493 2.192 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H](C)c2cnn(C3CCC3)c2)CC1 ZINC000924656597 693166199 /nfs/dbraw/zinc/16/61/99/693166199.db2.gz BPFNOIJSYZBHLA-MRXNPFEDSA-N 1 3 319.497 2.286 20 0 DEADHO CC[C@H](C)C[NH+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)CC1 ZINC001050543409 693204030 /nfs/dbraw/zinc/20/40/30/693204030.db2.gz JNFGPXVCZFGJPS-RDJZCZTQSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)CC[NH+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001050542585 693204063 /nfs/dbraw/zinc/20/40/63/693204063.db2.gz HXZUUBWZEZPBJN-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[NH+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001050544071 693204495 /nfs/dbraw/zinc/20/44/95/693204495.db2.gz NQYVESPBHRLAJQ-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CC[NH+](CCC1CC1)CC2 ZINC001050663113 693226566 /nfs/dbraw/zinc/22/65/66/693226566.db2.gz QUTUGEPOEAWFGA-INIZCTEOSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@H](Cc1ccccn1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000925438675 693273051 /nfs/dbraw/zinc/27/30/51/693273051.db2.gz ZWKKQJYDOKSHBB-ZACQAIPSSA-N 1 3 305.466 2.492 20 0 DEADHO CN(C)C(=O)C1(C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CCCC1 ZINC000925488322 693281020 /nfs/dbraw/zinc/28/10/20/693281020.db2.gz RTCCCOFDVVHNIF-DLBZAZTESA-N 1 3 321.509 2.393 20 0 DEADHO Cc1ncc2c(n1)CC[C@@H](N[C@@H]1[C@@H]3CCC[NH2+][C@@H]3C1(C)C)C2 ZINC000925535048 693290632 /nfs/dbraw/zinc/29/06/32/693290632.db2.gz BGEBCPUGHJITJX-TXCZRRACSA-N 1 3 300.450 2.009 20 0 DEADHO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H]1[C@@H]3CCCN[C@@H]3C1(C)C)C2 ZINC000925535048 693290636 /nfs/dbraw/zinc/29/06/36/693290636.db2.gz BGEBCPUGHJITJX-TXCZRRACSA-N 1 3 300.450 2.009 20 0 DEADHO Cc1ncc2c(n1)CC[C@H](N[C@@H]1[C@@H]3CCC[NH2+][C@@H]3C1(C)C)C2 ZINC000925535043 693290852 /nfs/dbraw/zinc/29/08/52/693290852.db2.gz BGEBCPUGHJITJX-HDEZJCGLSA-N 1 3 300.450 2.009 20 0 DEADHO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1[C@@H]3CCCN[C@@H]3C1(C)C)C2 ZINC000925535043 693290856 /nfs/dbraw/zinc/29/08/56/693290856.db2.gz BGEBCPUGHJITJX-HDEZJCGLSA-N 1 3 300.450 2.009 20 0 DEADHO O=C1CCCCN1CCC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925549464 693295047 /nfs/dbraw/zinc/29/50/47/693295047.db2.gz LITSKJCHUWSZRP-IRXDYDNUSA-N 1 3 307.482 2.147 20 0 DEADHO COC(=O)Nc1ccc(CCN[C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925579835 693302113 /nfs/dbraw/zinc/30/21/13/693302113.db2.gz HABBLSHOCRZADG-HUUCEWRRSA-N 1 3 303.406 2.267 20 0 DEADHO C[C@@H](c1ccncc1)N1CCC([NH2+][C@H]2CCCN[C@H]2C)CC1 ZINC000925608319 693307943 /nfs/dbraw/zinc/30/79/43/693307943.db2.gz VWJHKFBMSAOMDL-MPGHIAIKSA-N 1 3 302.466 2.337 20 0 DEADHO Cn1nc(CCN[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c2ccccc21 ZINC000925641144 693314438 /nfs/dbraw/zinc/31/44/38/693314438.db2.gz KYBBYFKKSLVOJD-FHLIZLRMSA-N 1 3 312.461 2.482 20 0 DEADHO Cn1nc(CC[NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)c2ccccc21 ZINC000925641144 693314441 /nfs/dbraw/zinc/31/44/41/693314441.db2.gz KYBBYFKKSLVOJD-FHLIZLRMSA-N 1 3 312.461 2.482 20 0 DEADHO C[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccccc1-n1ccnn1 ZINC000925779327 693340821 /nfs/dbraw/zinc/34/08/21/693340821.db2.gz XBKULCNBEHNKEQ-OLZOCXBDSA-N 1 3 321.375 2.163 20 0 DEADHO C[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(-n2cncn2)cc1 ZINC000925779437 693341158 /nfs/dbraw/zinc/34/11/58/693341158.db2.gz NLRQQJUGNBWRGC-OCCSQVGLSA-N 1 3 321.375 2.163 20 0 DEADHO CC(C)CCN1CCC([NH2+]CC(C)(C)[C@@]2(O)CCOC2)CC1 ZINC000926638832 693483963 /nfs/dbraw/zinc/48/39/63/693483963.db2.gz RFNJMJFYBVRMBV-GOSISDBHSA-N 1 3 312.498 2.264 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@@H]1CCC2(CCOCC2)CO1 ZINC000926870167 693521529 /nfs/dbraw/zinc/52/15/29/693521529.db2.gz CJBPJRWZMNVKLI-KTGAGVNESA-N 1 3 322.493 2.282 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCF)CC1 ZINC001052428973 693533017 /nfs/dbraw/zinc/53/30/17/693533017.db2.gz KUZHOYDQMXVBBF-CVEARBPZSA-N 1 3 313.461 2.191 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCF)CC1 ZINC001052428973 693533020 /nfs/dbraw/zinc/53/30/20/693533020.db2.gz KUZHOYDQMXVBBF-CVEARBPZSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001052620539 693580682 /nfs/dbraw/zinc/58/06/82/693580682.db2.gz QFYHMZAJPZEWTA-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001052620539 693580685 /nfs/dbraw/zinc/58/06/85/693580685.db2.gz QFYHMZAJPZEWTA-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[N@H+](CCC2CC2)CC1 ZINC001052897924 693643470 /nfs/dbraw/zinc/64/34/70/693643470.db2.gz ORUUBEJALQNYFG-OAHLLOKOSA-N 1 3 304.438 2.031 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC001052897924 693643473 /nfs/dbraw/zinc/64/34/73/693643473.db2.gz ORUUBEJALQNYFG-OAHLLOKOSA-N 1 3 304.438 2.031 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[N@@H+](CCC(C)C)CC1 ZINC001052898860 693644131 /nfs/dbraw/zinc/64/41/31/693644131.db2.gz IZLMTPYMPVTOND-HNNXBMFYSA-N 1 3 306.454 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[N@H+](CCC(C)C)CC1 ZINC001052898860 693644132 /nfs/dbraw/zinc/64/41/32/693644132.db2.gz IZLMTPYMPVTOND-HNNXBMFYSA-N 1 3 306.454 2.277 20 0 DEADHO CN(C)[C@H]1Cc2ccccc2N(C(=O)CC[NH2+]C(C)(C)C)C1 ZINC000932417042 694609893 /nfs/dbraw/zinc/60/98/93/694609893.db2.gz ZBKUFWMNDJMAKT-HNNXBMFYSA-N 1 3 303.450 2.284 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001402416388 1162349661 /nfs/dbraw/zinc/34/96/61/1162349661.db2.gz KUSVPSKECSROQB-SJORKVTESA-N 1 3 309.498 2.058 20 0 DEADHO Cc1ccc2[nH]cc(CCNC[C@H](O)C[NH+]3CCCC3)c2c1 ZINC001335366535 1150400284 /nfs/dbraw/zinc/40/02/84/1150400284.db2.gz HMSZVIYIVRWBJF-INIZCTEOSA-N 1 3 301.434 2.065 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]Cc2ccccc2C)CCC1)N(C)C ZINC001402565909 1162394210 /nfs/dbraw/zinc/39/42/10/1162394210.db2.gz MTPUJOWGLGAWDU-QGZVFWFLSA-N 1 3 317.477 2.464 20 0 DEADHO CC[C@@H](C(=O)N1CCC(CC)([NH2+]CC[C@@H](C)F)CC1)N(C)C ZINC001402702565 1162445380 /nfs/dbraw/zinc/44/53/80/1162445380.db2.gz MZQIGLICLCJCAN-CABCVRRESA-N 1 3 315.477 2.436 20 0 DEADHO Cc1cccc(CN(C)CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC001379117120 1152573329 /nfs/dbraw/zinc/57/33/29/1152573329.db2.gz JZKCGWXFQLPJNY-SFHVURJKSA-N 1 3 319.493 2.471 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@@H](C[NH2+]Cc2ccsc2)C2CC2)C1 ZINC001379896339 1152710333 /nfs/dbraw/zinc/71/03/33/1152710333.db2.gz KWINFCHGOQQDPO-BBRMVZONSA-N 1 3 321.490 2.074 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CC1CC2(CCC2)C1)N(C)C ZINC001380021342 1152732840 /nfs/dbraw/zinc/73/28/40/1152732840.db2.gz OXPWZHDMYIJKNT-IRXDYDNUSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+]1CC1CC2(CCC2)C1)N(C)C ZINC001380021342 1152732841 /nfs/dbraw/zinc/73/28/41/1152732841.db2.gz OXPWZHDMYIJKNT-IRXDYDNUSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCC1)N(C)C ZINC001380021392 1152733017 /nfs/dbraw/zinc/73/30/17/1152733017.db2.gz PHONJPGLQXDRCT-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CCc1cccc(C[NH2+]C2(CNC(=O)CN(C)C(C)C)CC2)c1 ZINC001380171841 1152761874 /nfs/dbraw/zinc/76/18/74/1152761874.db2.gz PTHDTUYFBWVGRI-UHFFFAOYSA-N 1 3 317.477 2.328 20 0 DEADHO CC[N@H+](C)Cc1ccccc1CNC(=O)C1(N(C)C)CCC1 ZINC001380780686 1152856313 /nfs/dbraw/zinc/85/63/13/1152856313.db2.gz WDZMABPQGYKNFM-UHFFFAOYSA-N 1 3 303.450 2.239 20 0 DEADHO CC[N@@H+](C)Cc1ccccc1CNC(=O)C1(N(C)C)CCC1 ZINC001380780686 1152856314 /nfs/dbraw/zinc/85/63/14/1152856314.db2.gz WDZMABPQGYKNFM-UHFFFAOYSA-N 1 3 303.450 2.239 20 0 DEADHO CCC1([NH2+]C/C=C\Cl)CCN(C(=O)CN2CCCC2)CC1 ZINC001381020937 1152893927 /nfs/dbraw/zinc/89/39/27/1152893927.db2.gz HNJLOFFJQVJTIT-YVMONPNESA-N 1 3 313.873 2.196 20 0 DEADHO C[C@H](NCc1cc2ccccc2o1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001381416926 1153048976 /nfs/dbraw/zinc/04/89/76/1153048976.db2.gz IHAKOWXADZBLIW-KBPBESRZSA-N 1 3 317.433 2.367 20 0 DEADHO CCCN(C)CC(=O)N1C[C@]2(C)C[N@H+](CC(C)C)C[C@]2(C)C1 ZINC001381949741 1153285843 /nfs/dbraw/zinc/28/58/43/1153285843.db2.gz USSWZFLWHLZTFT-HDICACEKSA-N 1 3 309.498 2.155 20 0 DEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC001363375556 1153369217 /nfs/dbraw/zinc/36/92/17/1153369217.db2.gz ZQCRAHQPSLLHSB-BBWFWOEESA-N 1 3 309.498 2.486 20 0 DEADHO COC(=O)N1CCC([NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)CC1 ZINC001363586323 1153473043 /nfs/dbraw/zinc/47/30/43/1153473043.db2.gz YRWCAKATJDWOBF-CABCVRRESA-N 1 3 323.481 2.460 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]CC2CC3(CCC3)C2)C1 ZINC001382590166 1153477154 /nfs/dbraw/zinc/47/71/54/1153477154.db2.gz NYQLENRLGODNLV-UHFFFAOYSA-N 1 3 321.509 2.486 20 0 DEADHO C[C@@H]1C[C@H](CN2CCC([NH2+]C3CCOCC3)CC2)C[C@H](C)O1 ZINC001363838056 1153659678 /nfs/dbraw/zinc/65/96/78/1153659678.db2.gz SSOMPKLJUCZWJH-ZSHCYNCHSA-N 1 3 310.482 2.423 20 0 DEADHO CN(C(=O)[C@H]1CCCN1C)C1CCC([NH2+]C/C=C\Cl)CC1 ZINC001403055853 1162674510 /nfs/dbraw/zinc/67/45/10/1162674510.db2.gz JOFYRQKOWNLPCE-WQBNOVDZSA-N 1 3 313.873 2.192 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2C)C1 ZINC001389504654 1155356637 /nfs/dbraw/zinc/35/66/37/1155356637.db2.gz YQNNBLZILFATEZ-SFHVURJKSA-N 1 3 317.477 2.336 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2C)C1 ZINC001389504654 1155356639 /nfs/dbraw/zinc/35/66/39/1155356639.db2.gz YQNNBLZILFATEZ-SFHVURJKSA-N 1 3 317.477 2.336 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(F)cc1)C1CC1)N(C)C ZINC001389690004 1155396288 /nfs/dbraw/zinc/39/62/88/1155396288.db2.gz KUUJEYIFCYMJNQ-IAGOWNOFSA-N 1 3 321.440 2.150 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[N@@H+](C)CC[C@@H](C)F)C1 ZINC001389749931 1155415390 /nfs/dbraw/zinc/41/53/90/1155415390.db2.gz XBGLYIZYFUSTIU-HZPDHXFCSA-N 1 3 315.477 2.245 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[N@H+](C)CC[C@@H](C)F)C1 ZINC001389749931 1155415393 /nfs/dbraw/zinc/41/53/93/1155415393.db2.gz XBGLYIZYFUSTIU-HZPDHXFCSA-N 1 3 315.477 2.245 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]2C[N@H+](CC3CCC3)CC[C@H]21 ZINC001389961615 1155483882 /nfs/dbraw/zinc/48/38/82/1155483882.db2.gz TYRNXORLFMEVRJ-ZWKOTPCHSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]2C[N@@H+](CC3CCC3)CC[C@H]21 ZINC001389961615 1155483883 /nfs/dbraw/zinc/48/38/83/1155483883.db2.gz TYRNXORLFMEVRJ-ZWKOTPCHSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)sc2C)C1)N(C)C ZINC001389997550 1155494944 /nfs/dbraw/zinc/49/49/44/1155494944.db2.gz GNGFBSXQSTZTCF-XHSDSOJGSA-N 1 3 323.506 2.442 20 0 DEADHO C[C@@H](F)CC[N@@H+]1CCC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001390034744 1155504712 /nfs/dbraw/zinc/50/47/12/1155504712.db2.gz HUPUKQYHUTUYNU-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H](F)CC[N@H+]1CCC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001390034744 1155504716 /nfs/dbraw/zinc/50/47/16/1155504716.db2.gz HUPUKQYHUTUYNU-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@H]1C ZINC001371041449 1155666441 /nfs/dbraw/zinc/66/64/41/1155666441.db2.gz IMUAGAHURVTZAT-RXYDEIHYSA-N 1 3 321.509 2.342 20 0 DEADHO CC(C)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@H]1C ZINC001371041449 1155666442 /nfs/dbraw/zinc/66/64/42/1155666442.db2.gz IMUAGAHURVTZAT-RXYDEIHYSA-N 1 3 321.509 2.342 20 0 DEADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H](C)c1ccccc1 ZINC001390391427 1155696206 /nfs/dbraw/zinc/69/62/06/1155696206.db2.gz BEFCRXHATWDYRR-HUUCEWRRSA-N 1 3 303.450 2.326 20 0 DEADHO C[C@H](CNC(=O)CC[NH+](C)C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC001390468931 1155738737 /nfs/dbraw/zinc/73/87/37/1155738737.db2.gz POWDPEARXMYGJN-NEPJUHHUSA-N 1 3 313.392 2.072 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCCN2C(C)C)cc1 ZINC001371176170 1155762299 /nfs/dbraw/zinc/76/22/99/1155762299.db2.gz IDWZLXZRBAVIOM-SJLPKXTDSA-N 1 3 317.477 2.462 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001390542975 1155800848 /nfs/dbraw/zinc/80/08/48/1155800848.db2.gz UONNVNURAHTPMF-ZIAGYGMSSA-N 1 3 309.429 2.321 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CCC3CC3)C2)CCC1 ZINC001390625909 1155818426 /nfs/dbraw/zinc/81/84/26/1155818426.db2.gz XVFUBXBNXPCOOJ-HZPDHXFCSA-N 1 3 307.482 2.288 20 0 DEADHO Cc1ccc(C)c(C[NH2+][C@H](C)CNC(=O)CN2CC[C@H](C)C2)c1 ZINC001371366031 1155835171 /nfs/dbraw/zinc/83/51/71/1155835171.db2.gz UJSMBYKURXRJSN-DOTOQJQBSA-N 1 3 317.477 2.240 20 0 DEADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]C/C=C\Cl ZINC001371463562 1155856285 /nfs/dbraw/zinc/85/62/85/1155856285.db2.gz GCEZYXFUEVUZFZ-DMTLFAOVSA-N 1 3 309.841 2.209 20 0 DEADHO C[C@@H]1CC[N@H+](CC(=O)NCCN(C)Cc2ccc(Cl)cc2)C1 ZINC001390820156 1155883055 /nfs/dbraw/zinc/88/30/55/1155883055.db2.gz RWGUYCVQPHZKAD-CQSZACIVSA-N 1 3 323.868 2.230 20 0 DEADHO C[C@@H]1CC[N@@H+](CC(=O)NCCN(C)Cc2ccc(Cl)cc2)C1 ZINC001390820156 1155883056 /nfs/dbraw/zinc/88/30/56/1155883056.db2.gz RWGUYCVQPHZKAD-CQSZACIVSA-N 1 3 323.868 2.230 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001391059175 1156076121 /nfs/dbraw/zinc/07/61/21/1156076121.db2.gz GGJJFXLEOGAKLS-YOEHRIQHSA-N 1 3 313.461 2.188 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001391059175 1156076124 /nfs/dbraw/zinc/07/61/24/1156076124.db2.gz GGJJFXLEOGAKLS-YOEHRIQHSA-N 1 3 313.461 2.188 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1)N(C)C ZINC001391109147 1156120785 /nfs/dbraw/zinc/12/07/85/1156120785.db2.gz JNRPMNQVJABORV-WBVHZDCISA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1)N(C)C ZINC001391109147 1156120788 /nfs/dbraw/zinc/12/07/88/1156120788.db2.gz JNRPMNQVJABORV-WBVHZDCISA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](CC1CCCCC1)C1CC1)N(C)C ZINC001391170983 1156210673 /nfs/dbraw/zinc/21/06/73/1156210673.db2.gz IANWOSRGLNAOAI-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](CC1CCCCC1)C1CC1)N(C)C ZINC001391170983 1156210681 /nfs/dbraw/zinc/21/06/81/1156210681.db2.gz IANWOSRGLNAOAI-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[N@H+](CC1CCCC1)C1CC1 ZINC001391201466 1156247800 /nfs/dbraw/zinc/24/78/00/1156247800.db2.gz XPFUHFXQDMASDR-UHFFFAOYSA-N 1 3 304.438 2.031 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[N@@H+](CC1CCCC1)C1CC1 ZINC001391201466 1156247823 /nfs/dbraw/zinc/24/78/23/1156247823.db2.gz XPFUHFXQDMASDR-UHFFFAOYSA-N 1 3 304.438 2.031 20 0 DEADHO CC[C@H](C(=O)N(C)CC[NH2+][C@H](C)c1cccc(F)c1)N(C)C ZINC001391216838 1156258603 /nfs/dbraw/zinc/25/86/03/1156258603.db2.gz YNSGEVSFQSOANT-CZUORRHYSA-N 1 3 309.429 2.275 20 0 DEADHO CC(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001391358314 1156356747 /nfs/dbraw/zinc/35/67/47/1156356747.db2.gz UCTUXXKKIRURSN-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001391358314 1156356755 /nfs/dbraw/zinc/35/67/55/1156356755.db2.gz UCTUXXKKIRURSN-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO C[NH+](C)CCC(=O)NCC1CN(CC/C=C\c2ccccc2)C1 ZINC001391494624 1156462465 /nfs/dbraw/zinc/46/24/65/1156462465.db2.gz DFDPNAQNINQEOD-POHAHGRESA-N 1 3 315.461 2.090 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCCC2)C1)N(C)C ZINC001391591935 1156578370 /nfs/dbraw/zinc/57/83/70/1156578370.db2.gz GDHWWCIDZFIRFM-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)C1)N(C)C ZINC001391591935 1156578388 /nfs/dbraw/zinc/57/83/88/1156578388.db2.gz GDHWWCIDZFIRFM-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccc(C)cc1 ZINC001391720094 1156735307 /nfs/dbraw/zinc/73/53/07/1156735307.db2.gz LSSCGALCRRBDBX-FUHWJXTLSA-N 1 3 317.477 2.321 20 0 DEADHO CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1ccc(F)cc1 ZINC001391743845 1156767746 /nfs/dbraw/zinc/76/77/46/1156767746.db2.gz QGXQXOGLATUWFX-DLBZAZTESA-N 1 3 323.456 2.396 20 0 DEADHO Cc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)CN(C)C(C)C)c1 ZINC001391867526 1156819307 /nfs/dbraw/zinc/81/93/07/1156819307.db2.gz UEHNBLANNYITMB-GOSISDBHSA-N 1 3 317.477 2.416 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(F)c1 ZINC001391867465 1156819539 /nfs/dbraw/zinc/81/95/39/1156819539.db2.gz RUOKARVMWKCGDH-QGZVFWFLSA-N 1 3 321.440 2.247 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccsc1)N(C)C ZINC001391899886 1156827895 /nfs/dbraw/zinc/82/78/95/1156827895.db2.gz NQWACHXPNPQIIX-ZFWWWQNUSA-N 1 3 311.495 2.176 20 0 DEADHO C[C@@H](C[NH2+]Cc1ccc(F)cc1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001392102213 1156867815 /nfs/dbraw/zinc/86/78/15/1156867815.db2.gz RLNFRDVPYDYGRI-CABCVRRESA-N 1 3 321.440 2.104 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CCCF)C1 ZINC001373248767 1156898787 /nfs/dbraw/zinc/89/87/87/1156898787.db2.gz USLZPTVEFLCTEY-HOTGVXAUSA-N 1 3 313.461 2.049 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CCCF)C1 ZINC001373248767 1156898790 /nfs/dbraw/zinc/89/87/90/1156898790.db2.gz USLZPTVEFLCTEY-HOTGVXAUSA-N 1 3 313.461 2.049 20 0 DEADHO CC(C)C[N@H+](C)C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001373290856 1156937352 /nfs/dbraw/zinc/93/73/52/1156937352.db2.gz GQCZUCMTQUDWGW-MRXNPFEDSA-N 1 3 311.514 2.401 20 0 DEADHO CC(C)C[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001373290856 1156937373 /nfs/dbraw/zinc/93/73/73/1156937373.db2.gz GQCZUCMTQUDWGW-MRXNPFEDSA-N 1 3 311.514 2.401 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC001403235712 1162824262 /nfs/dbraw/zinc/82/42/62/1162824262.db2.gz DFXUFZGSWYNOST-GOSISDBHSA-N 1 3 317.477 2.275 20 0 DEADHO CC(C)C[C@H](C)C[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001403247783 1162827038 /nfs/dbraw/zinc/82/70/38/1162827038.db2.gz AMPYUSKPMUXBAU-DLBZAZTESA-N 1 3 311.514 2.447 20 0 DEADHO C[C@H](C[NH2+]Cc1ccc(Cl)cc1)NC(=O)CN1CC[C@@H](C)C1 ZINC001392509463 1157083347 /nfs/dbraw/zinc/08/33/47/1157083347.db2.gz HLKZLNFVBMKAPO-ZIAGYGMSSA-N 1 3 323.868 2.276 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCc2c1cccc2F ZINC001392620974 1157221017 /nfs/dbraw/zinc/22/10/17/1157221017.db2.gz YTBRMTCPZMULTQ-SUMWQHHRSA-N 1 3 321.440 2.248 20 0 DEADHO Cc1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)CN2CC[C@H](C)C2)c1 ZINC001392683189 1157331392 /nfs/dbraw/zinc/33/13/92/1157331392.db2.gz IAOSRVZHAIHYDL-DLBZAZTESA-N 1 3 317.477 2.273 20 0 DEADHO Cc1cccc(C[N@H+](C)C[C@@H](C)NC(=O)CN2CC[C@H](C)C2)c1 ZINC001392683189 1157331402 /nfs/dbraw/zinc/33/14/02/1157331402.db2.gz IAOSRVZHAIHYDL-DLBZAZTESA-N 1 3 317.477 2.273 20 0 DEADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCc1ccccc1 ZINC001373756913 1157343205 /nfs/dbraw/zinc/34/32/05/1157343205.db2.gz AJWHWFGONCUSIF-QGZVFWFLSA-N 1 3 317.477 2.198 20 0 DEADHO C[C@@H](CN(C)Cc1ccc(Cl)cc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001392728854 1157376704 /nfs/dbraw/zinc/37/67/04/1157376704.db2.gz RGSFHYNDHRGVFP-ZFWWWQNUSA-N 1 3 323.868 2.228 20 0 DEADHO C[C@@H](CN(C)Cc1ccc(Cl)cc1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392728854 1157376712 /nfs/dbraw/zinc/37/67/12/1157376712.db2.gz RGSFHYNDHRGVFP-ZFWWWQNUSA-N 1 3 323.868 2.228 20 0 DEADHO CC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001403376443 1162868374 /nfs/dbraw/zinc/86/83/74/1162868374.db2.gz DHTJVPIMXRJVSV-NVXWUHKLSA-N 1 3 305.466 2.320 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1cc(C)ccc1F)N(C)C ZINC001374102770 1157625551 /nfs/dbraw/zinc/62/55/51/1157625551.db2.gz ZVMWODDUHSCASO-PBHICJAKSA-N 1 3 323.456 2.316 20 0 DEADHO CC(C)[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001393158721 1157727683 /nfs/dbraw/zinc/72/76/83/1157727683.db2.gz JNPIATNDARDFLO-SJLPKXTDSA-N 1 3 309.498 2.486 20 0 DEADHO CN(CC[N@H+](C)CCCc1ccsc1)C(=O)[C@H]1CCCN1C ZINC001374520220 1157885707 /nfs/dbraw/zinc/88/57/07/1157885707.db2.gz MJRUFVXOYCYAFS-MRXNPFEDSA-N 1 3 323.506 2.165 20 0 DEADHO CN(CC[N@@H+](C)CCCc1ccsc1)C(=O)[C@H]1CCCN1C ZINC001374520220 1157885708 /nfs/dbraw/zinc/88/57/08/1157885708.db2.gz MJRUFVXOYCYAFS-MRXNPFEDSA-N 1 3 323.506 2.165 20 0 DEADHO CC[N@H+](CCF)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001393856428 1158024395 /nfs/dbraw/zinc/02/43/95/1158024395.db2.gz LSXXUJKLOXIGEJ-UHFFFAOYSA-N 1 3 313.461 2.001 20 0 DEADHO CC[N@@H+](CCF)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001393856428 1158024401 /nfs/dbraw/zinc/02/44/01/1158024401.db2.gz LSXXUJKLOXIGEJ-UHFFFAOYSA-N 1 3 313.461 2.001 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccccc1)N(C)C ZINC001374897605 1158080789 /nfs/dbraw/zinc/08/07/89/1158080789.db2.gz IPFAVPMEBDEKRE-ZOBUZTSGSA-N 1 3 305.466 2.428 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)cc1F ZINC001374930939 1158097531 /nfs/dbraw/zinc/09/75/31/1158097531.db2.gz DJJVBAZFQNENRL-WMLDXEAASA-N 1 3 323.456 2.315 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N(C)Cc1cccc(F)c1 ZINC001394128951 1158320870 /nfs/dbraw/zinc/32/08/70/1158320870.db2.gz NFIRHHZFSLFDGE-AWEZNQCLSA-N 1 3 309.429 2.104 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N(C)Cc1cccc(F)c1 ZINC001394128951 1158320878 /nfs/dbraw/zinc/32/08/78/1158320878.db2.gz NFIRHHZFSLFDGE-AWEZNQCLSA-N 1 3 309.429 2.104 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[N@H+](C)CC1CCCCC1 ZINC001394129957 1158323378 /nfs/dbraw/zinc/32/33/78/1158323378.db2.gz HSCZCUADZFZTGZ-CYBMUJFWSA-N 1 3 306.454 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[N@@H+](C)CC1CCCCC1 ZINC001394129957 1158323386 /nfs/dbraw/zinc/32/33/86/1158323386.db2.gz HSCZCUADZFZTGZ-CYBMUJFWSA-N 1 3 306.454 2.277 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](CCC2CCCC2)C1)N(C)C ZINC001394255677 1158397806 /nfs/dbraw/zinc/39/78/06/1158397806.db2.gz AHZOKHWZXPYTSQ-YOEHRIQHSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccsc2)C1)N(C)C ZINC001394370867 1158438741 /nfs/dbraw/zinc/43/87/41/1158438741.db2.gz UHKDWLHYRGLYEZ-BZUAXINKSA-N 1 3 323.506 2.319 20 0 DEADHO CC[C@H](F)CN[C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001394505928 1158596712 /nfs/dbraw/zinc/59/67/12/1158596712.db2.gz QVJMQSUSHMOPPX-KGLIPLIRSA-N 1 3 301.450 2.045 20 0 DEADHO C[C@@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]CCC1CCCC1 ZINC001394527534 1158612620 /nfs/dbraw/zinc/61/26/20/1158612620.db2.gz KANGGFFDBRSGSC-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2cccc(F)c2)C[C@H]1C ZINC001394667359 1158661734 /nfs/dbraw/zinc/66/17/34/1158661734.db2.gz IVFPDZGXWMFTOA-RHSMWYFYSA-N 1 3 321.440 2.247 20 0 DEADHO CC[C@@H](F)CNC1(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001375434550 1158676686 /nfs/dbraw/zinc/67/66/86/1158676686.db2.gz DFAPPSNYCFUENU-CABCVRRESA-N 1 3 313.461 2.093 20 0 DEADHO CC[C@@H](F)CNC1(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001375434550 1158676694 /nfs/dbraw/zinc/67/66/94/1158676694.db2.gz DFAPPSNYCFUENU-CABCVRRESA-N 1 3 313.461 2.093 20 0 DEADHO CCCC[NH+]1CCC([C@@H](C)NC(=O)C2(N(C)C)CCC2)CC1 ZINC001394841024 1158809390 /nfs/dbraw/zinc/80/93/90/1158809390.db2.gz WIQGGZLDHMCACS-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CN(CC(=O)NC[C@H]1C[C@H]([NH2+]C/C=C/Cl)C1)CC(C)(C)C ZINC001375549837 1158810097 /nfs/dbraw/zinc/81/00/97/1158810097.db2.gz NLIJRMKFKBOEEJ-GUUMZZRISA-N 1 3 315.889 2.201 20 0 DEADHO O=C(CC[NH+]1CCCCC1)NCC1(NCc2ccccc2)CC1 ZINC001375550630 1158810304 /nfs/dbraw/zinc/81/03/04/1158810304.db2.gz BNSTVSMFWIQILS-UHFFFAOYSA-N 1 3 315.461 2.301 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1(NC/C=C\Cl)CC1)[NH+]1CCCC1 ZINC001375553650 1158810974 /nfs/dbraw/zinc/81/09/74/1158810974.db2.gz DFKYDNVMMHGPMJ-PODYEWJSSA-N 1 3 313.873 2.098 20 0 DEADHO CN(C)C1(C(=O)N(C)C2CC([NH2+]CC3CC(C)(C)C3)C2)CCC1 ZINC001394854944 1158814914 /nfs/dbraw/zinc/81/49/14/1158814914.db2.gz VJRYOGMPFBXSTN-UHFFFAOYSA-N 1 3 321.509 2.486 20 0 DEADHO CC[C@@H](C(=O)NCc1ccc(C[NH2+]C(C)C)cc1F)N(C)C ZINC001394866046 1158818428 /nfs/dbraw/zinc/81/84/28/1158818428.db2.gz JCRBKFYFOGIXPP-INIZCTEOSA-N 1 3 309.429 2.280 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CCC[N@H+](CC2CCC2)C1)N(CC)CC ZINC001376067376 1159081701 /nfs/dbraw/zinc/08/17/01/1159081701.db2.gz CIIWHTVVEFGFEF-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CCC[N@@H+](CC2CCC2)C1)N(CC)CC ZINC001376067376 1159081706 /nfs/dbraw/zinc/08/17/06/1159081706.db2.gz CIIWHTVVEFGFEF-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]([NH2+]CCC(F)(F)F)C1CC1)N(C)C ZINC001376217522 1159253843 /nfs/dbraw/zinc/25/38/43/1159253843.db2.gz UWPXLXRSPMHXDD-STQMWFEESA-N 1 3 323.403 2.009 20 0 DEADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1csc(C)c1)N(C)C ZINC001403588732 1163025986 /nfs/dbraw/zinc/02/59/86/1163025986.db2.gz KATPLABOZZSDPP-DOMZBBRYSA-N 1 3 311.495 2.333 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](CN(C)C/C=C/Cl)C1 ZINC001376294881 1159322184 /nfs/dbraw/zinc/32/21/84/1159322184.db2.gz QKWULMNDAZRMSJ-RZIFZGNASA-N 1 3 315.889 2.251 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](CN(C)C/C=C/Cl)C1 ZINC001376294881 1159322192 /nfs/dbraw/zinc/32/21/92/1159322192.db2.gz QKWULMNDAZRMSJ-RZIFZGNASA-N 1 3 315.889 2.251 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001376461425 1159447346 /nfs/dbraw/zinc/44/73/46/1159447346.db2.gz GKWDRILASLFFJG-CALCHBBNSA-N 1 3 315.461 2.216 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001376513050 1159493438 /nfs/dbraw/zinc/49/34/38/1159493438.db2.gz MEAVPSLSBPXXTI-OIISXLGYSA-N 1 3 303.450 2.325 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001376608717 1159597054 /nfs/dbraw/zinc/59/70/54/1159597054.db2.gz MKBANUVUYCAGCV-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCc2ccccc21 ZINC001376744186 1159757102 /nfs/dbraw/zinc/75/71/02/1159757102.db2.gz VVWRLEMMQIYFHL-RDTXWAMCSA-N 1 3 315.461 2.253 20 0 DEADHO Cc1cc(C)cc(C[NH2+][C@@H](C)CNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001376804374 1159806794 /nfs/dbraw/zinc/80/67/94/1159806794.db2.gz VCZPNWDFBIDTDZ-PBHICJAKSA-N 1 3 317.477 2.240 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@H]([NH2+]CC3CCC3)C2)CCC1 ZINC001376957868 1159856673 /nfs/dbraw/zinc/85/66/73/1159856673.db2.gz GXGSKOVEYIOCLT-JKSUJKDBSA-N 1 3 307.482 2.288 20 0 DEADHO CN(CCC[N@H+](C)CCc1cccs1)C(=O)[C@H]1CCCN1C ZINC001376967399 1159859492 /nfs/dbraw/zinc/85/94/92/1159859492.db2.gz SWQHZKRVSIMZDN-MRXNPFEDSA-N 1 3 323.506 2.165 20 0 DEADHO CN(CCC[N@@H+](C)CCc1cccs1)C(=O)[C@H]1CCCN1C ZINC001376967399 1159859494 /nfs/dbraw/zinc/85/94/94/1159859494.db2.gz SWQHZKRVSIMZDN-MRXNPFEDSA-N 1 3 323.506 2.165 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH2+]CC1CCCCC1 ZINC001377102285 1159899999 /nfs/dbraw/zinc/89/99/99/1159899999.db2.gz XGKUDZQAZXLIBG-ZDUSSCGKSA-N 1 3 306.454 2.325 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](C)CC1CCC(F)(F)CC1)N(C)C ZINC001403680211 1163087511 /nfs/dbraw/zinc/08/75/11/1163087511.db2.gz BVZHWXMZEVYQNE-AWEZNQCLSA-N 1 3 319.440 2.200 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](C)CC1CCC(F)(F)CC1)N(C)C ZINC001403680211 1163087520 /nfs/dbraw/zinc/08/75/20/1163087520.db2.gz BVZHWXMZEVYQNE-AWEZNQCLSA-N 1 3 319.440 2.200 20 0 DEADHO CCN(CCNC(=O)C1(C[NH+](C)C)CC1)Cc1ccc(F)cc1 ZINC001377337154 1160232148 /nfs/dbraw/zinc/23/21/48/1160232148.db2.gz DKHMLRRNVUQHTL-UHFFFAOYSA-N 1 3 321.440 2.106 20 0 DEADHO CCN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)Cc1cccc(F)c1 ZINC001377360615 1160265865 /nfs/dbraw/zinc/26/58/65/1160265865.db2.gz LNUWCPLYLCXZHQ-MRXNPFEDSA-N 1 3 321.440 2.106 20 0 DEADHO CCN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)Cc1cccc(F)c1 ZINC001377360615 1160265884 /nfs/dbraw/zinc/26/58/84/1160265884.db2.gz LNUWCPLYLCXZHQ-MRXNPFEDSA-N 1 3 321.440 2.106 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](Cc1ccccc1C)C1CC1)N(C)C ZINC001377552205 1160539476 /nfs/dbraw/zinc/53/94/76/1160539476.db2.gz FVUAGZHARPWVQV-SFHVURJKSA-N 1 3 317.477 2.416 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](Cc1ccccc1C)C1CC1)N(C)C ZINC001377552205 1160539485 /nfs/dbraw/zinc/53/94/85/1160539485.db2.gz FVUAGZHARPWVQV-SFHVURJKSA-N 1 3 317.477 2.416 20 0 DEADHO CN(C)C1(C(=O)NC2CC(C[NH2+]CC3CCCC3)C2)CCC1 ZINC001377713934 1160772750 /nfs/dbraw/zinc/77/27/50/1160772750.db2.gz INYDEQRCUUXNKS-UHFFFAOYSA-N 1 3 307.482 2.145 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CC4(CCC4)C3)C2)CCC1 ZINC001398625208 1161024263 /nfs/dbraw/zinc/02/42/63/1161024263.db2.gz RLAFXJQMXZURGS-IYBDPMFKSA-N 1 3 319.493 2.288 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CCC(F)(F)F)C1)N(C)C ZINC001398708538 1161068148 /nfs/dbraw/zinc/06/81/48/1161068148.db2.gz QBEUPTSLSVBEIX-STQMWFEESA-N 1 3 323.403 2.107 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CCC(F)(F)F)C1)N(C)C ZINC001398708538 1161068155 /nfs/dbraw/zinc/06/81/55/1161068155.db2.gz QBEUPTSLSVBEIX-STQMWFEESA-N 1 3 323.403 2.107 20 0 DEADHO Cc1ccccc1C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001398946669 1161162889 /nfs/dbraw/zinc/16/28/89/1161162889.db2.gz NKLCQKGWMKZLOZ-WBVHZDCISA-N 1 3 305.466 2.176 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CNC(=O)CN2CC[C@@H](C)C2)cc1F ZINC001399023120 1161193536 /nfs/dbraw/zinc/19/35/36/1161193536.db2.gz KPGXLSFMNUDFDJ-HIFRSBDPSA-N 1 3 321.440 2.070 20 0 DEADHO Cc1cccc(C)c1C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001399060017 1161210852 /nfs/dbraw/zinc/21/08/52/1161210852.db2.gz YVMZBHJMCXNPEM-FUHWJXTLSA-N 1 3 319.493 2.484 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C)c(C)c1 ZINC001399089213 1161224739 /nfs/dbraw/zinc/22/47/39/1161224739.db2.gz GLMRUTBWMPQBQX-WMZOPIPTSA-N 1 3 319.493 2.484 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]C/C=C\c1ccccc1)N(C)C ZINC001399110526 1161239243 /nfs/dbraw/zinc/23/92/43/1161239243.db2.gz RJMBTVVPSAZTJE-IBDJODRUSA-N 1 3 317.477 2.380 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[N@H+](CC3CC(C)(C)C3)C2)C1 ZINC001399932207 1161610737 /nfs/dbraw/zinc/61/07/37/1161610737.db2.gz MZOYFNISBRGYEV-HZPDHXFCSA-N 1 3 321.509 2.203 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[N@@H+](CC3CC(C)(C)C3)C2)C1 ZINC001399932207 1161610739 /nfs/dbraw/zinc/61/07/39/1161610739.db2.gz MZOYFNISBRGYEV-HZPDHXFCSA-N 1 3 321.509 2.203 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001399933639 1161611599 /nfs/dbraw/zinc/61/15/99/1161611599.db2.gz QXKUWEPEISZXFF-OAHLLOKOSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001399933639 1161611602 /nfs/dbraw/zinc/61/16/02/1161611602.db2.gz QXKUWEPEISZXFF-OAHLLOKOSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CCC2)C1)N1CCCC1 ZINC001400683261 1161800137 /nfs/dbraw/zinc/80/01/37/1161800137.db2.gz APWBXXYIDNWRAY-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCC2)C1)N1CCCC1 ZINC001400683261 1161800140 /nfs/dbraw/zinc/80/01/40/1161800140.db2.gz APWBXXYIDNWRAY-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO CCCN(C)CC(=O)N[C@]1(C[NH2+]CC2CC2)CCCC[C@@H]1C ZINC001401064159 1161865721 /nfs/dbraw/zinc/86/57/21/1161865721.db2.gz VQPAOIZFBXWQIU-YJBOKZPZSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001401607540 1162044402 /nfs/dbraw/zinc/04/44/02/1162044402.db2.gz JCKHWLTYXXIDTM-SJORKVTESA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001401675308 1162070348 /nfs/dbraw/zinc/07/03/48/1162070348.db2.gz UCIZGYFACJXXLS-DYVFJYSZSA-N 1 3 321.440 2.248 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001401716097 1162088771 /nfs/dbraw/zinc/08/87/71/1162088771.db2.gz DSALNTTYRKLOPN-XJKSGUPXSA-N 1 3 309.429 2.006 20 0 DEADHO CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001402006915 1162214093 /nfs/dbraw/zinc/21/40/93/1162214093.db2.gz ZJMGECJFRYMVIA-GOSISDBHSA-N 1 3 309.498 2.299 20 0 DEADHO CCC[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001402006915 1162214100 /nfs/dbraw/zinc/21/41/00/1162214100.db2.gz ZJMGECJFRYMVIA-GOSISDBHSA-N 1 3 309.498 2.299 20 0 DEADHO C[NH+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccsc1 ZINC001402106278 1162248737 /nfs/dbraw/zinc/24/87/37/1162248737.db2.gz KMQDYQGQDJTTCY-CVEARBPZSA-N 1 3 321.490 2.265 20 0 DEADHO C[C@H](F)CC[N@@H+]1CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001404076539 1163423629 /nfs/dbraw/zinc/42/36/29/1163423629.db2.gz HBGPYPQWGKMNHJ-GJZGRUSLSA-N 1 3 315.477 2.151 20 0 DEADHO CC[C@H](C(=O)NCC1C[NH+]([C@H](C)c2ccccc2C)C1)N(C)C ZINC001404882220 1163845818 /nfs/dbraw/zinc/84/58/18/1163845818.db2.gz HDHJCSMAILMCPA-CRAIPNDOSA-N 1 3 317.477 2.444 20 0 DEADHO CCc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CN2CCCC2)cc1 ZINC001405894251 1164317713 /nfs/dbraw/zinc/31/77/13/1164317713.db2.gz QKSXWKOXLUANNC-MRXNPFEDSA-N 1 3 317.477 2.281 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1CC(C)(C)C1 ZINC001406430495 1164596316 /nfs/dbraw/zinc/59/63/16/1164596316.db2.gz KZXXTOSBVLUIEY-ZBFHGGJFSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1cc(C)cc(C[NH2+]C[C@H](C)NC(=O)CN2CC[C@H](C)C2)c1 ZINC001406523355 1164655179 /nfs/dbraw/zinc/65/51/79/1164655179.db2.gz RUARQFNCOHITPO-YOEHRIQHSA-N 1 3 317.477 2.240 20 0 DEADHO C[C@@H](C[N@H+](C)CC1CC2(CCC2)C1)NC(=O)C1(N(C)C)CCC1 ZINC001406612625 1164730298 /nfs/dbraw/zinc/73/02/98/1164730298.db2.gz LXXQYUXBVXQZOD-HNNXBMFYSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](C[N@@H+](C)CC1CC2(CCC2)C1)NC(=O)C1(N(C)C)CCC1 ZINC001406612625 1164730300 /nfs/dbraw/zinc/73/03/00/1164730300.db2.gz LXXQYUXBVXQZOD-HNNXBMFYSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](F)CN1CCC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001407030476 1164932938 /nfs/dbraw/zinc/93/29/38/1164932938.db2.gz KNFPQGNAZVXSIY-RDJZCZTQSA-N 1 3 313.461 2.001 20 0 DEADHO C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CCN2Cc1ccsc1 ZINC001407654251 1165243044 /nfs/dbraw/zinc/24/30/44/1165243044.db2.gz HUZUUXXBLHWZSX-HZPDHXFCSA-N 1 3 321.490 2.265 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001407689159 1165258113 /nfs/dbraw/zinc/25/81/13/1165258113.db2.gz HUFPNLYBCXALNU-RBSFLKMASA-N 1 3 324.444 2.273 20 0 DEADHO CCCN(C)CC(=O)NCc1cccc2c1CC[N@H+](CC)C2 ZINC001407747871 1165282624 /nfs/dbraw/zinc/28/26/24/1165282624.db2.gz RAHRSMTUQZABSW-UHFFFAOYSA-N 1 3 303.450 2.023 20 0 DEADHO CCCN(C)CC(=O)NCc1cccc2c1CC[N@@H+](CC)C2 ZINC001407747871 1165282635 /nfs/dbraw/zinc/28/26/35/1165282635.db2.gz RAHRSMTUQZABSW-UHFFFAOYSA-N 1 3 303.450 2.023 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001408254478 1165550340 /nfs/dbraw/zinc/55/03/40/1165550340.db2.gz VPSUXLPGXGNDQX-GXTWGEPZSA-N 1 3 319.440 2.102 20 0 DEADHO CCC(CC)CN1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001415135427 1166139352 /nfs/dbraw/zinc/13/93/52/1166139352.db2.gz JACPECPUHVPIOX-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CC[C@@H](C)C[NH2+][C@H](CNC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001417991106 1167349177 /nfs/dbraw/zinc/34/91/77/1167349177.db2.gz JRTDEZPQOJAQLS-GDBMZVCRSA-N 1 3 309.498 2.391 20 0 DEADHO CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](F)CN(CC)CC ZINC001418151475 1167441913 /nfs/dbraw/zinc/44/19/13/1167441913.db2.gz UZDGGSQDNBGOSO-LSDHHAIUSA-N 1 3 301.450 2.047 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001418169047 1167456535 /nfs/dbraw/zinc/45/65/35/1167456535.db2.gz JCTUDBKSDSWCRN-LSDHHAIUSA-N 1 3 301.450 2.045 20 0 DEADHO CCc1cccc(C[NH2+][C@@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001418232937 1167508576 /nfs/dbraw/zinc/50/85/76/1167508576.db2.gz HZCHWOBBHFPREJ-HNNXBMFYSA-N 1 3 317.477 2.328 20 0 DEADHO CCC[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)c1ccccc1 ZINC001418849473 1168008158 /nfs/dbraw/zinc/00/81/58/1168008158.db2.gz FMXFYWZFSQRBDN-DLBZAZTESA-N 1 3 305.466 2.430 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](C(C)C)C1 ZINC001418908375 1168059089 /nfs/dbraw/zinc/05/90/89/1168059089.db2.gz OBJFKCLJMZDMKZ-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](C(C)C)C1 ZINC001418908375 1168059091 /nfs/dbraw/zinc/05/90/91/1168059091.db2.gz OBJFKCLJMZDMKZ-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[C@H]1CC[N@@H+](C(C)C)C1 ZINC001418908373 1168059717 /nfs/dbraw/zinc/05/97/17/1168059717.db2.gz OBJFKCLJMZDMKZ-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[C@H]1CC[N@H+](C(C)C)C1 ZINC001418908373 1168059724 /nfs/dbraw/zinc/05/97/24/1168059724.db2.gz OBJFKCLJMZDMKZ-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]CCC(F)(F)F ZINC001419238487 1168337187 /nfs/dbraw/zinc/33/71/87/1168337187.db2.gz IYTWKNHOXWLEEH-VXGBXAGGSA-N 1 3 311.392 2.009 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]([NH2+]Cc1ccc(F)cc1)C1CC1 ZINC001419323692 1168402158 /nfs/dbraw/zinc/40/21/58/1168402158.db2.gz LTDFSFWSMYHZPU-QGZVFWFLSA-N 1 3 321.440 2.150 20 0 DEADHO CC(C)[NH2+]Cc1ccc(CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001419383919 1168436331 /nfs/dbraw/zinc/43/63/31/1168436331.db2.gz AFGJOMTUDFWNAO-UHFFFAOYSA-N 1 3 303.450 2.285 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2CCC[N@H+](CC3CCC3)C2)CCC1 ZINC001419550401 1168591160 /nfs/dbraw/zinc/59/11/60/1168591160.db2.gz FECIMBJQVBLCNP-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2CCC[N@@H+](CC3CCC3)C2)CCC1 ZINC001419550401 1168591169 /nfs/dbraw/zinc/59/11/69/1168591169.db2.gz FECIMBJQVBLCNP-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(C)C)C1 ZINC001419560944 1168600487 /nfs/dbraw/zinc/60/04/87/1168600487.db2.gz AULZBIPZCMOMSY-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C ZINC001419892578 1168894501 /nfs/dbraw/zinc/89/45/01/1168894501.db2.gz LBBVMAFYOIBELW-GUYCJALGSA-N 1 3 316.449 2.102 20 0 DEADHO CC(C)[NH2+][C@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001419896757 1168896762 /nfs/dbraw/zinc/89/67/62/1168896762.db2.gz AWDWZRFVDIYMGU-PBHICJAKSA-N 1 3 315.477 2.338 20 0 DEADHO C[C@@H](c1ccccc1)[N@H+](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001420296624 1169332108 /nfs/dbraw/zinc/33/21/08/1169332108.db2.gz QYIAHHPJHOIJHU-HOTGVXAUSA-N 1 3 303.450 2.137 20 0 DEADHO C[C@@H](c1ccccc1)[N@@H+](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001420296624 1169332117 /nfs/dbraw/zinc/33/21/17/1169332117.db2.gz QYIAHHPJHOIJHU-HOTGVXAUSA-N 1 3 303.450 2.137 20 0 DEADHO CC(C)C[NH2+]C[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C1CC1 ZINC001420767784 1171131123 /nfs/dbraw/zinc/13/11/23/1171131123.db2.gz FKSNYSJFHNZNRV-NVXWUHKLSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC2C[NH+](CC3CCC(C)CC3)C2)C1 ZINC001421156335 1171536059 /nfs/dbraw/zinc/53/60/59/1171536059.db2.gz OXXRLTCBQCIKLI-CGZBRXJRSA-N 1 3 321.509 2.203 20 0 DEADHO CC[C@H](C)C[NH+]1CCC(C)(NC(=O)Cc2nc[nH]c2C)CC1 ZINC001421207875 1171589389 /nfs/dbraw/zinc/58/93/89/1171589389.db2.gz CQUQITVENAGCFE-ZDUSSCGKSA-N 1 3 306.454 2.277 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccsc1 ZINC001421697262 1171909595 /nfs/dbraw/zinc/90/95/95/1171909595.db2.gz FMBDXJJISUQFKX-GDBMZVCRSA-N 1 3 323.506 2.464 20 0 DEADHO C[C@@H](CNCc1ccccc1F)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001421939777 1172155992 /nfs/dbraw/zinc/15/59/92/1172155992.db2.gz SUTAQPFWRRIAHA-AWEZNQCLSA-N 1 3 321.440 2.104 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001421957854 1172183443 /nfs/dbraw/zinc/18/34/43/1172183443.db2.gz OFCLIGQFRLGINX-GOSISDBHSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001421957854 1172183468 /nfs/dbraw/zinc/18/34/68/1172183468.db2.gz OFCLIGQFRLGINX-GOSISDBHSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001422071321 1172273733 /nfs/dbraw/zinc/27/37/33/1172273733.db2.gz ZXBNKIGULNBOGA-PBHICJAKSA-N 1 3 321.440 2.102 20 0 DEADHO Cc1ccccc1C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCCN1C ZINC001422172819 1172370424 /nfs/dbraw/zinc/37/04/24/1172370424.db2.gz AVYACDMZYMYTPZ-SFHVURJKSA-N 1 3 317.477 2.370 20 0 DEADHO Cc1ccccc1C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCCN1C ZINC001422172819 1172370431 /nfs/dbraw/zinc/37/04/31/1172370431.db2.gz AVYACDMZYMYTPZ-SFHVURJKSA-N 1 3 317.477 2.370 20 0 DEADHO CC[N@H+](CCCF)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001422197864 1172387027 /nfs/dbraw/zinc/38/70/27/1172387027.db2.gz ULEHTUDVADUGKD-INIZCTEOSA-N 1 3 313.461 2.001 20 0 DEADHO CC[N@@H+](CCCF)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001422197864 1172387032 /nfs/dbraw/zinc/38/70/32/1172387032.db2.gz ULEHTUDVADUGKD-INIZCTEOSA-N 1 3 313.461 2.001 20 0 DEADHO CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](CC)N(C)C ZINC001422228231 1172414361 /nfs/dbraw/zinc/41/43/61/1172414361.db2.gz HVBCMEHOXFFFNW-BRWVUGGUSA-N 1 3 303.450 2.108 20 0 DEADHO CCCN(C)CC(=O)NC1CC(C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001422293251 1172461090 /nfs/dbraw/zinc/46/10/90/1172461090.db2.gz KFEZRSYFKIPKJR-UHFFFAOYSA-N 1 3 321.509 2.393 20 0 DEADHO C[C@@H](NCCF)[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001422353283 1172509908 /nfs/dbraw/zinc/50/99/08/1172509908.db2.gz KOMBJHXPZXUZLI-ZIAGYGMSSA-N 1 3 301.450 2.093 20 0 DEADHO C[C@@H](NCCF)[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001422353283 1172509923 /nfs/dbraw/zinc/50/99/23/1172509923.db2.gz KOMBJHXPZXUZLI-ZIAGYGMSSA-N 1 3 301.450 2.093 20 0 DEADHO Cc1ccc(F)c(CN[C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001422386218 1172540003 /nfs/dbraw/zinc/54/00/03/1172540003.db2.gz NBBGWJONZJRCDH-KBPBESRZSA-N 1 3 309.429 2.069 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc2c(c1)CCC2)N(C)C ZINC001422695966 1172814350 /nfs/dbraw/zinc/81/43/50/1172814350.db2.gz MANMWZJIBZSSRI-KSSFIOAISA-N 1 3 317.477 2.110 20 0 DEADHO COc1cccc([C@H](C)[NH2+]C[C@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001422761222 1172846107 /nfs/dbraw/zinc/84/61/07/1172846107.db2.gz PIYGLYBLQFLHIR-GJZGRUSLSA-N 1 3 321.465 2.191 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21)N(C)C ZINC001422844286 1172883595 /nfs/dbraw/zinc/88/35/95/1172883595.db2.gz PYVKNRHDJWURAQ-ZJPYXAASSA-N 1 3 321.509 2.057 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CCCC3)C[C@H]21)N(C)C ZINC001422844286 1172883597 /nfs/dbraw/zinc/88/35/97/1172883597.db2.gz PYVKNRHDJWURAQ-ZJPYXAASSA-N 1 3 321.509 2.057 20 0 DEADHO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CN(C)C(C)C)C2)cc1 ZINC001423343588 1173271012 /nfs/dbraw/zinc/27/10/12/1173271012.db2.gz FICFUPOZHJPJJW-FUHWJXTLSA-N 1 3 317.477 2.414 20 0 DEADHO CCCN(C)CC(=O)N1CCC2(C1)CC[NH+](CCC1CC1)CC2 ZINC001423373951 1173313418 /nfs/dbraw/zinc/31/34/18/1173313418.db2.gz ONTCIEJFQBDPLN-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CCC[NH2+]C1(CNC(=O)c2cccc(CN(C)C)c2)CCC1 ZINC001424211429 1173703042 /nfs/dbraw/zinc/70/30/42/1173703042.db2.gz MTPKRILIEZPXDI-UHFFFAOYSA-N 1 3 303.450 2.400 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCC2CCCC2)C1 ZINC001424481237 1173804886 /nfs/dbraw/zinc/80/48/86/1173804886.db2.gz IIHSGHSOXAARHP-DOTOQJQBSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]CCc1ccccc1 ZINC001425580900 1174382751 /nfs/dbraw/zinc/38/27/51/1174382751.db2.gz QUBPBLBUOMPZRW-MRXNPFEDSA-N 1 3 317.477 2.150 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)[C@@H]1C ZINC001425880017 1174494397 /nfs/dbraw/zinc/49/43/97/1174494397.db2.gz BFGSJOMDYBNGNF-DOTOQJQBSA-N 1 3 321.509 2.486 20 0 DEADHO C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(C2CCCCC2)CC1 ZINC001428357035 1175335951 /nfs/dbraw/zinc/33/59/51/1175335951.db2.gz UNOHLDQIFTYUIP-KRWDZBQOSA-N 1 3 322.497 2.131 20 0 DEADHO C[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(C2CCCCC2)CC1 ZINC001428357035 1175335959 /nfs/dbraw/zinc/33/59/59/1175335959.db2.gz UNOHLDQIFTYUIP-KRWDZBQOSA-N 1 3 322.497 2.131 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(C)C2(CCCCC2)C1 ZINC001434007648 1178135930 /nfs/dbraw/zinc/13/59/30/1178135930.db2.gz WZCMHRLESLSNPW-IYBDPMFKSA-N 1 3 307.482 2.336 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN(C)C2(CCCCC2)C1 ZINC001434007648 1178135937 /nfs/dbraw/zinc/13/59/37/1178135937.db2.gz WZCMHRLESLSNPW-IYBDPMFKSA-N 1 3 307.482 2.336 20 0 DEADHO CCN1CCN(c2cccc(N[C@H]3CCC[N@H+](C)C3)c2)CC1 ZINC001434527805 1178775862 /nfs/dbraw/zinc/77/58/62/1178775862.db2.gz SBQRVHCCMWNSOR-KRWDZBQOSA-N 1 3 302.466 2.335 20 0 DEADHO CCN1CCN(c2cccc(N[C@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC001434527805 1178775887 /nfs/dbraw/zinc/77/58/87/1178775887.db2.gz SBQRVHCCMWNSOR-KRWDZBQOSA-N 1 3 302.466 2.335 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN(C)C(C)C)C2)cc1 ZINC001436935453 1179308400 /nfs/dbraw/zinc/30/84/00/1179308400.db2.gz NGGYRVZBBWWDLU-QAQDUYKDSA-N 1 3 303.450 2.072 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001437497154 1179824154 /nfs/dbraw/zinc/82/41/54/1179824154.db2.gz DBTCQJADAYLHMN-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO CCC(CC)C[N@@H+]1CC[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001437729418 1179911587 /nfs/dbraw/zinc/91/15/87/1179911587.db2.gz STNXJFKKLSZLMW-RDJZCZTQSA-N 1 3 309.498 2.203 20 0 DEADHO CCC(CC)C[N@H+]1CC[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001437729418 1179911596 /nfs/dbraw/zinc/91/15/96/1179911596.db2.gz STNXJFKKLSZLMW-RDJZCZTQSA-N 1 3 309.498 2.203 20 0 DEADHO O=C(CCC[NH+]1CCCCC1)NCC[C@@H]1CCN(CCF)C1 ZINC001437961735 1180111446 /nfs/dbraw/zinc/11/14/46/1180111446.db2.gz UIDCSAJNJDTSAB-MRXNPFEDSA-N 1 3 313.461 2.050 20 0 DEADHO CN(CC(=O)N1CC[C@@H](C[N@H+](C)CCCF)C1)CC(C)(C)C ZINC001437990778 1180143033 /nfs/dbraw/zinc/14/30/33/1180143033.db2.gz UIBIJCAGUUVNJL-HNNXBMFYSA-N 1 3 315.477 2.104 20 0 DEADHO CN(CC(=O)N1CC[C@@H](C[N@@H+](C)CCCF)C1)CC(C)(C)C ZINC001437990778 1180143036 /nfs/dbraw/zinc/14/30/36/1180143036.db2.gz UIBIJCAGUUVNJL-HNNXBMFYSA-N 1 3 315.477 2.104 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+]CC1CCCC1 ZINC001438524708 1180544923 /nfs/dbraw/zinc/54/49/23/1180544923.db2.gz XLUDNGLCWCDAHH-OAHLLOKOSA-N 1 3 309.498 2.393 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001439222216 1180948362 /nfs/dbraw/zinc/94/83/62/1180948362.db2.gz ONZBAEPUEVGOBH-HNNXBMFYSA-N 1 3 303.450 2.074 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[N@H+](C)CCC1CCCC1 ZINC001439402362 1181075042 /nfs/dbraw/zinc/07/50/42/1181075042.db2.gz QVNMUAQXVKXPIM-CYBMUJFWSA-N 1 3 306.454 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[N@@H+](C)CCC1CCCC1 ZINC001439402362 1181075052 /nfs/dbraw/zinc/07/50/52/1181075052.db2.gz QVNMUAQXVKXPIM-CYBMUJFWSA-N 1 3 306.454 2.277 20 0 DEADHO C[C@@H](NC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1)c1cccc(F)c1 ZINC001439666888 1181193125 /nfs/dbraw/zinc/19/31/25/1181193125.db2.gz IWWIVSGZJBZOKI-HIFRSBDPSA-N 1 3 319.424 2.077 20 0 DEADHO C[C@@H](NC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1)c1cccc(F)c1 ZINC001439666888 1181193127 /nfs/dbraw/zinc/19/31/27/1181193127.db2.gz IWWIVSGZJBZOKI-HIFRSBDPSA-N 1 3 319.424 2.077 20 0 DEADHO CC(C)CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H](C)C1 ZINC001439776261 1181231061 /nfs/dbraw/zinc/23/10/61/1181231061.db2.gz HIMBCEKAAYUYAQ-JKSUJKDBSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CN(CC)CCC1(F)F)[NH+](CC)CC ZINC001439964677 1181329252 /nfs/dbraw/zinc/32/92/52/1181329252.db2.gz BQBDCCHROHDLAZ-UONOGXRCSA-N 1 3 319.440 2.200 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H](F)CC)CCC1 ZINC001440323247 1181448540 /nfs/dbraw/zinc/44/85/40/1181448540.db2.gz MNKDGQDZFJXCSY-CABCVRRESA-N 1 3 313.461 2.237 20 0 DEADHO CC[N@H+](C)CCC(=O)NCC1(NCc2cccc(F)c2)CCC1 ZINC001440349551 1181459409 /nfs/dbraw/zinc/45/94/09/1181459409.db2.gz ZORVVDYFDAGWHE-UHFFFAOYSA-N 1 3 321.440 2.296 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCC1(NCc2cccc(F)c2)CCC1 ZINC001440349551 1181459418 /nfs/dbraw/zinc/45/94/18/1181459418.db2.gz ZORVVDYFDAGWHE-UHFFFAOYSA-N 1 3 321.440 2.296 20 0 DEADHO CC1CC(C[N@H+](C)CCCN(C)C(=O)CN2CC[C@H](C)C2)C1 ZINC001440464536 1181533395 /nfs/dbraw/zinc/53/33/95/1181533395.db2.gz MDUREMMSINDACL-GTPINHCMSA-N 1 3 309.498 2.155 20 0 DEADHO CC1CC(C[N@@H+](C)CCCN(C)C(=O)CN2CC[C@H](C)C2)C1 ZINC001440464536 1181533404 /nfs/dbraw/zinc/53/34/04/1181533404.db2.gz MDUREMMSINDACL-GTPINHCMSA-N 1 3 309.498 2.155 20 0 DEADHO C[NH+](C)CCC(=O)N1CCC[C@@]2(CCN(C/C=C\Cl)C2)C1 ZINC001440540280 1181589695 /nfs/dbraw/zinc/58/96/95/1181589695.db2.gz TVNDEWGRLJRTDN-FAOGRTBUSA-N 1 3 313.873 2.005 20 0 DEADHO CCC(CC)C[N@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001440732990 1181662601 /nfs/dbraw/zinc/66/26/01/1181662601.db2.gz MDKSFMKEJJEFPM-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCC(CC)C[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001440732990 1181662603 /nfs/dbraw/zinc/66/26/03/1181662603.db2.gz MDKSFMKEJJEFPM-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@@H]2C1 ZINC001441289144 1181931318 /nfs/dbraw/zinc/93/13/18/1181931318.db2.gz UCTRIJXQBJQGML-XLAORIBOSA-N 1 3 321.509 2.058 20 0 DEADHO CC(C)CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@@H]2C1 ZINC001441289144 1181931327 /nfs/dbraw/zinc/93/13/27/1181931327.db2.gz UCTRIJXQBJQGML-XLAORIBOSA-N 1 3 321.509 2.058 20 0 DEADHO CC[C@@H](F)C[N@H+](C)C[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001441302221 1181938121 /nfs/dbraw/zinc/93/81/21/1181938121.db2.gz ZUMSHMDHRHLIGY-JKSUJKDBSA-N 1 3 315.477 2.245 20 0 DEADHO CC[C@@H](F)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001441302221 1181938126 /nfs/dbraw/zinc/93/81/26/1181938126.db2.gz ZUMSHMDHRHLIGY-JKSUJKDBSA-N 1 3 315.477 2.245 20 0 DEADHO C[C@H](F)CC[N@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001441382716 1181966528 /nfs/dbraw/zinc/96/65/28/1181966528.db2.gz JGXIGMAXEBUQCH-AWEZNQCLSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@H](F)CC[N@@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001441382716 1181966541 /nfs/dbraw/zinc/96/65/41/1181966541.db2.gz JGXIGMAXEBUQCH-AWEZNQCLSA-N 1 3 313.461 2.142 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CC1CCC1)C1CC1 ZINC001441436589 1181994497 /nfs/dbraw/zinc/99/44/97/1181994497.db2.gz FIXHKRGXECBSHE-ZWKOTPCHSA-N 1 3 321.509 2.486 20 0 DEADHO CCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001441460885 1182005737 /nfs/dbraw/zinc/00/57/37/1182005737.db2.gz MREIYYKEPQFYNE-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001441460885 1182005740 /nfs/dbraw/zinc/00/57/40/1182005740.db2.gz MREIYYKEPQFYNE-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC001441586255 1182075826 /nfs/dbraw/zinc/07/58/26/1182075826.db2.gz PNPPHYHOLJCDGC-OAHLLOKOSA-N 1 3 323.506 2.418 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC001441586255 1182075835 /nfs/dbraw/zinc/07/58/35/1182075835.db2.gz PNPPHYHOLJCDGC-OAHLLOKOSA-N 1 3 323.506 2.418 20 0 DEADHO C[C@@H](F)CC[NH2+]C1CCC(NC(=O)C2(N(C)C)CCC2)CC1 ZINC001441728777 1182137791 /nfs/dbraw/zinc/13/77/91/1182137791.db2.gz HZDWILUEEMIFJP-WLYUNCDWSA-N 1 3 313.461 2.236 20 0 DEADHO C[C@H](NCCN(C)C(=O)CC[NH+](C)C)c1ccccc1Cl ZINC001443080137 1182843077 /nfs/dbraw/zinc/84/30/77/1182843077.db2.gz PESAYGVFJOZYDX-ZDUSSCGKSA-N 1 3 311.857 2.401 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC[C@@H](C)F)CC1)N(C)C ZINC001444170241 1183306742 /nfs/dbraw/zinc/30/67/42/1183306742.db2.gz PJAWHXLNHQVFLY-KBUPBQIOSA-N 1 3 301.450 2.092 20 0 DEADHO Cc1cc(C)cc(C[NH2+]C[C@H](C)N(C)C(=O)Cc2c[nH]cn2)c1 ZINC001444690794 1183520315 /nfs/dbraw/zinc/52/03/15/1183520315.db2.gz QPMWFGHDYYKHTM-HNNXBMFYSA-N 1 3 314.433 2.206 20 0 DEADHO C[C@H](CN(C)Cc1ccc(C2CC2)cc1)NC(=O)CC[NH+](C)C ZINC001445790668 1184056526 /nfs/dbraw/zinc/05/65/26/1184056526.db2.gz BGPOKXMRHXYILB-OAHLLOKOSA-N 1 3 317.477 2.452 20 0 DEADHO Cc1cccc(CN(C)C[C@@H](C)NC(=O)CCC[NH+](C)C)c1 ZINC001445810452 1184067330 /nfs/dbraw/zinc/06/73/30/1184067330.db2.gz KSNGEUSYQMUUPH-MRXNPFEDSA-N 1 3 305.466 2.273 20 0 DEADHO Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)CN(C)C(C)C)cc1 ZINC001445880305 1184112098 /nfs/dbraw/zinc/11/20/98/1184112098.db2.gz ZCMNYNFWQKWLJT-INIZCTEOSA-N 1 3 305.466 2.272 20 0 DEADHO Cc1ccc(C[N@H+](C)C[C@H](C)NC(=O)CN(C)C(C)C)cc1 ZINC001445880305 1184112106 /nfs/dbraw/zinc/11/21/06/1184112106.db2.gz ZCMNYNFWQKWLJT-INIZCTEOSA-N 1 3 305.466 2.272 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@]2(C1)CCC[N@H+](CCC1CC1)C2 ZINC001446329680 1184311769 /nfs/dbraw/zinc/31/17/69/1184311769.db2.gz JUQBVSJHWAOWNC-LJQANCHMSA-N 1 3 321.509 2.443 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC1CC1)C2 ZINC001446329680 1184311772 /nfs/dbraw/zinc/31/17/72/1184311772.db2.gz JUQBVSJHWAOWNC-LJQANCHMSA-N 1 3 321.509 2.443 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC(C)([NH2+]CCC(F)(F)F)CC1 ZINC001447567622 1184812149 /nfs/dbraw/zinc/81/21/49/1184812149.db2.gz IIDLRTFDDMUIOD-UHFFFAOYSA-N 1 3 323.403 2.250 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[N@H+](C)Cc1cccc(C)c1 ZINC001448121491 1185087588 /nfs/dbraw/zinc/08/75/88/1185087588.db2.gz YFMXSYMCQBTXOZ-INIZCTEOSA-N 1 3 305.466 2.273 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[N@@H+](C)Cc1cccc(C)c1 ZINC001448121491 1185087591 /nfs/dbraw/zinc/08/75/91/1185087591.db2.gz YFMXSYMCQBTXOZ-INIZCTEOSA-N 1 3 305.466 2.273 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[N@H+](C)CCC1CCCC1 ZINC001448122459 1185087614 /nfs/dbraw/zinc/08/76/14/1185087614.db2.gz NZZDHGPLJWLZSX-CYBMUJFWSA-N 1 3 306.454 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[N@@H+](C)CCC1CCCC1 ZINC001448122459 1185087618 /nfs/dbraw/zinc/08/76/18/1185087618.db2.gz NZZDHGPLJWLZSX-CYBMUJFWSA-N 1 3 306.454 2.277 20 0 DEADHO CN(CC(=O)N1CCC([N@H+](C)C/C=C/Cl)CC1)C1CCC1 ZINC001448537956 1185281749 /nfs/dbraw/zinc/28/17/49/1185281749.db2.gz QJWFXUQJVLAXBA-RUDMXATFSA-N 1 3 313.873 2.146 20 0 DEADHO CN(CC(=O)N1CCC([N@@H+](C)C/C=C/Cl)CC1)C1CCC1 ZINC001448537956 1185281757 /nfs/dbraw/zinc/28/17/57/1185281757.db2.gz QJWFXUQJVLAXBA-RUDMXATFSA-N 1 3 313.873 2.146 20 0 DEADHO CC(C)N(C)CC(=O)NC1(C2CC[NH+](CC3CCC3)CC2)CC1 ZINC001449413648 1185707337 /nfs/dbraw/zinc/70/73/37/1185707337.db2.gz UTUAPUOYLXKUSU-UHFFFAOYSA-N 1 3 321.509 2.488 20 0 DEADHO [NH3+]C1([C@@H]2CN(c3ncccc3CN3CCCC3)C[C@H]2CF)CC1 ZINC001164623760 719125522 /nfs/dbraw/zinc/12/55/22/719125522.db2.gz RVKSCYDYXHZSBL-HZPDHXFCSA-N 1 3 318.440 2.191 20 0 DEADHO C[C@@H]1CN(c2cc(OC3CC[NH+](C)CC3)ccn2)[C@@H](C)CN1C ZINC001164631730 719250842 /nfs/dbraw/zinc/25/08/42/719250842.db2.gz FSULFFHHURVWTG-CABCVRRESA-N 1 3 318.465 2.083 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCCNC(=O)OC(C)(C)C ZINC001332414047 1149858034 /nfs/dbraw/zinc/85/80/34/1149858034.db2.gz YMJIKHGAGSUJAC-YIONKMFJSA-N 1 3 311.470 2.221 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCC(F)(F)F)CC1)N(C)C ZINC001407846382 1165341932 /nfs/dbraw/zinc/34/19/32/1165341932.db2.gz HJPGLBOGZZAVGR-CHWSQXEVSA-N 1 3 323.403 2.250 20 0 DEADHO Cc1cccc(C[NH2+][C@@H](C)CCNC(=O)CN(C)C(C)C)c1 ZINC001408248682 1165547448 /nfs/dbraw/zinc/54/74/48/1165547448.db2.gz DQZZGARRFBNLAL-INIZCTEOSA-N 1 3 305.466 2.320 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCC(C)C)[C@H](C)C1 ZINC001106336485 782660253 /nfs/dbraw/zinc/66/02/53/782660253.db2.gz QCIUYZZRFKNCQI-HZPDHXFCSA-N 1 3 311.514 2.447 20 0 DEADHO CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001106666900 782840789 /nfs/dbraw/zinc/84/07/89/782840789.db2.gz ZBNYGRCLKTTWJC-CPRFOPHYSA-N 1 3 321.509 2.369 20 0 DEADHO CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001106666823 782841151 /nfs/dbraw/zinc/84/11/51/782841151.db2.gz WWOOPYFBCOTNSP-RCCFBDPRSA-N 1 3 323.525 2.449 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC2=CC[N@H+](CC3CCCC3)CC2)C1 ZINC001333398566 1150044928 /nfs/dbraw/zinc/04/49/28/1150044928.db2.gz BGEWRKXNOTZEFH-MRXNPFEDSA-N 1 3 319.493 2.267 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC2=CC[N@@H+](CC3CCCC3)CC2)C1 ZINC001333398566 1150044932 /nfs/dbraw/zinc/04/49/32/1150044932.db2.gz BGEWRKXNOTZEFH-MRXNPFEDSA-N 1 3 319.493 2.267 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2)[C@H](C)C1 ZINC001106778267 782931024 /nfs/dbraw/zinc/93/10/24/782931024.db2.gz BMNXSUPXSOWGEP-SJLPKXTDSA-N 1 3 317.477 2.213 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC2CC(C)C2)[C@H](C)C1 ZINC001106784937 782934668 /nfs/dbraw/zinc/93/46/68/782934668.db2.gz OSALKAQXRYSWNL-MNAZLIDISA-N 1 3 309.498 2.058 20 0 DEADHO CC(C)CC[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001167045311 776529013 /nfs/dbraw/zinc/52/90/13/776529013.db2.gz SHZKAZHGPMNQGM-MRXNPFEDSA-N 1 3 311.514 2.495 20 0 DEADHO CC[NH2+]CC1(CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001167233032 776786632 /nfs/dbraw/zinc/78/66/32/776786632.db2.gz YXOGCRXWEZMMSI-KRWDZBQOSA-N 1 3 313.461 2.095 20 0 DEADHO CC(C)CCC[NH2+]C1CC(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001100678464 777690158 /nfs/dbraw/zinc/69/01/58/777690158.db2.gz LYMCLXICFZHXKE-KLAILNCOSA-N 1 3 309.498 2.249 20 0 DEADHO CCCC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001104676634 778015887 /nfs/dbraw/zinc/01/58/87/778015887.db2.gz SAQWIFUQKZNYIZ-BRWVUGGUSA-N 1 3 309.498 2.345 20 0 DEADHO CCC[N@@H+]1CCC2(CN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001073455393 790665670 /nfs/dbraw/zinc/66/56/70/790665670.db2.gz GSURKMUZCUHRLY-UHFFFAOYSA-N 1 3 315.461 2.306 20 0 DEADHO CCC[N@H+]1CCC2(CN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001073455393 790665674 /nfs/dbraw/zinc/66/56/74/790665674.db2.gz GSURKMUZCUHRLY-UHFFFAOYSA-N 1 3 315.461 2.306 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC2(C1)CC[N@H+](CCC1CC1)C2 ZINC001073454356 790665908 /nfs/dbraw/zinc/66/59/08/790665908.db2.gz KIMCBQCBDCTPGH-IYBDPMFKSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC2(C1)CC[N@@H+](CCC1CC1)C2 ZINC001073454356 790665912 /nfs/dbraw/zinc/66/59/12/790665912.db2.gz KIMCBQCBDCTPGH-IYBDPMFKSA-N 1 3 319.493 2.194 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC1CCC1)C2 ZINC001073461898 790671285 /nfs/dbraw/zinc/67/12/85/790671285.db2.gz KMLRSBKHYMTFJA-KRWDZBQOSA-N 1 3 319.493 2.195 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC1CCC1)C2 ZINC001073461898 790671291 /nfs/dbraw/zinc/67/12/91/790671291.db2.gz KMLRSBKHYMTFJA-KRWDZBQOSA-N 1 3 319.493 2.195 20 0 DEADHO CN(C)[C@H](C(=O)N1CCCCC[C@H]([NH2+]CCC2CC2)C1)C1CC1 ZINC001088326169 779957667 /nfs/dbraw/zinc/95/76/67/779957667.db2.gz IVLKQMIVFWQUQG-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)C[NH2+][C@@H]1CCCCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001088382179 780052312 /nfs/dbraw/zinc/05/23/12/780052312.db2.gz WEWQCRDQOPMONJ-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CC2)[C@@H]1C ZINC001088693084 780827754 /nfs/dbraw/zinc/82/77/54/780827754.db2.gz KQSIDYIDHYGWGN-HYVNUMGLSA-N 1 3 307.482 2.096 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC2)[C@@H]1C ZINC001088693084 780827763 /nfs/dbraw/zinc/82/77/63/780827763.db2.gz KQSIDYIDHYGWGN-HYVNUMGLSA-N 1 3 307.482 2.096 20 0 DEADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]Cc2ccccc2)CC1 ZINC001168320606 780837710 /nfs/dbraw/zinc/83/77/10/780837710.db2.gz GAMBGIWTVYFFAJ-UHFFFAOYSA-N 1 3 317.477 2.403 20 0 DEADHO c1cncc(N2CCC[N@@H+](C3CCN(CC4CC4)CC3)CC2)c1 ZINC001168395274 781789432 /nfs/dbraw/zinc/78/94/32/781789432.db2.gz SWSNFICLBMWDIC-UHFFFAOYSA-N 1 3 314.477 2.468 20 0 DEADHO c1cncc(N2CCC[N@H+](C3CCN(CC4CC4)CC3)CC2)c1 ZINC001168395274 781789439 /nfs/dbraw/zinc/78/94/39/781789439.db2.gz SWSNFICLBMWDIC-UHFFFAOYSA-N 1 3 314.477 2.468 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CCC2CC2)[C@@H](C)C1 ZINC000947979870 783283279 /nfs/dbraw/zinc/28/32/79/783283279.db2.gz MINPNWCLVUCBQD-WFASDCNBSA-N 1 3 304.438 2.030 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CCC2CC2)[C@@H](C)C1 ZINC000947979870 783283289 /nfs/dbraw/zinc/28/32/89/783283289.db2.gz MINPNWCLVUCBQD-WFASDCNBSA-N 1 3 304.438 2.030 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC ZINC001089645866 783318040 /nfs/dbraw/zinc/31/80/40/783318040.db2.gz BVNIKDVLKKVBCY-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC ZINC001089645866 783318046 /nfs/dbraw/zinc/31/80/46/783318046.db2.gz BVNIKDVLKKVBCY-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2(N(C)C)CCC2)C1 ZINC001089820753 783480483 /nfs/dbraw/zinc/48/04/83/783480483.db2.gz OOYUBLOTMSIGEJ-QAETUUGQSA-N 1 3 319.493 2.050 20 0 DEADHO CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2(N(C)C)CCC2)C1 ZINC001089820753 783480486 /nfs/dbraw/zinc/48/04/86/783480486.db2.gz OOYUBLOTMSIGEJ-QAETUUGQSA-N 1 3 319.493 2.050 20 0 DEADHO CCCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CCCN2CCC3)C1 ZINC000967205556 783905604 /nfs/dbraw/zinc/90/56/04/783905604.db2.gz LKZNOEHMJUJBBJ-CVEARBPZSA-N 1 3 307.482 2.242 20 0 DEADHO CCCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CCCN2CCC3)C1 ZINC000967205556 783905608 /nfs/dbraw/zinc/90/56/08/783905608.db2.gz LKZNOEHMJUJBBJ-CVEARBPZSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)CN1CC[C@@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001085668623 783941341 /nfs/dbraw/zinc/94/13/41/783941341.db2.gz HQOIWWPKCCJPRF-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CCCN1CC[C@H]1CN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001085742231 784028329 /nfs/dbraw/zinc/02/83/29/784028329.db2.gz MCEOKUOYZAYHSD-KRWDZBQOSA-N 1 3 317.477 2.347 20 0 DEADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c(C)s1 ZINC000967709107 784099059 /nfs/dbraw/zinc/09/90/59/784099059.db2.gz WFJOQXQRJRKCDE-CVEARBPZSA-N 1 3 321.490 2.150 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC000967926793 784177330 /nfs/dbraw/zinc/17/73/30/784177330.db2.gz ZGZHWGWBXZOXSN-SJORKVTESA-N 1 3 305.466 2.162 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000967925065 784178312 /nfs/dbraw/zinc/17/83/12/784178312.db2.gz NBFUMINOZYUKKR-SJORKVTESA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H]2CCN2CC2CC2)CC1 ZINC001085902249 784193296 /nfs/dbraw/zinc/19/32/96/784193296.db2.gz XXIBWVYHPBFRAV-KRWDZBQOSA-N 1 3 307.482 2.050 20 0 DEADHO C[C@H]1CC[N@H+](Cc2ccsc2)C[C@@H]1NC(=O)CN1CCCC1 ZINC000968651692 784521590 /nfs/dbraw/zinc/52/15/90/784521590.db2.gz LVSGOECZRHKMAM-HOCLYGCPSA-N 1 3 321.490 2.171 20 0 DEADHO C[C@H]1CC[N@@H+](Cc2ccsc2)C[C@@H]1NC(=O)CN1CCCC1 ZINC000968651692 784521598 /nfs/dbraw/zinc/52/15/98/784521598.db2.gz LVSGOECZRHKMAM-HOCLYGCPSA-N 1 3 321.490 2.171 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCNCc2cccc(F)c2)C1 ZINC001129328245 784524527 /nfs/dbraw/zinc/52/45/27/784524527.db2.gz NTNQBCWOMUJEHV-MRXNPFEDSA-N 1 3 321.440 2.009 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCNCc2cccc(F)c2)C1 ZINC001129328245 784524537 /nfs/dbraw/zinc/52/45/37/784524537.db2.gz NTNQBCWOMUJEHV-MRXNPFEDSA-N 1 3 321.440 2.009 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]CC3=CCCCC3)C2)CCC1 ZINC000968907901 784646046 /nfs/dbraw/zinc/64/60/46/784646046.db2.gz YKXDKMZMORPYMG-MRXNPFEDSA-N 1 3 305.466 2.162 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1)C1CC1 ZINC000968912427 784646583 /nfs/dbraw/zinc/64/65/83/784646583.db2.gz GSZVRYDODVTONK-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C1)N(C)C ZINC000969077502 784716359 /nfs/dbraw/zinc/71/63/59/784716359.db2.gz UNFSYPHMJRNYKD-QZTJIDSGSA-N 1 3 317.477 2.334 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001007327990 784890135 /nfs/dbraw/zinc/89/01/35/784890135.db2.gz OOFROVVKYRSVBC-IAGOWNOFSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001007327990 784890140 /nfs/dbraw/zinc/89/01/40/784890140.db2.gz OOFROVVKYRSVBC-IAGOWNOFSA-N 1 3 309.498 2.486 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001007457455 784924781 /nfs/dbraw/zinc/92/47/81/784924781.db2.gz NUHFJXCKFAIWFD-IAGOWNOFSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001007457455 784924785 /nfs/dbraw/zinc/92/47/85/784924785.db2.gz NUHFJXCKFAIWFD-IAGOWNOFSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001007457458 784925461 /nfs/dbraw/zinc/92/54/61/784925461.db2.gz NUHFJXCKFAIWFD-SJORKVTESA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001007457458 784925464 /nfs/dbraw/zinc/92/54/64/784925464.db2.gz NUHFJXCKFAIWFD-SJORKVTESA-N 1 3 307.482 2.242 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CC(=O)N(Cc3ccccc3)C1)C2 ZINC001169094557 785030871 /nfs/dbraw/zinc/03/08/71/785030871.db2.gz MNIXFLJAQDPGTB-TVFCKZIOSA-N 1 3 313.445 2.002 20 0 DEADHO COc1cccc([C@H](CCO)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC001169093999 785031228 /nfs/dbraw/zinc/03/12/28/785031228.db2.gz JZRRZDVRJYDVMF-CUSZFKRNSA-N 1 3 304.434 2.334 20 0 DEADHO CN1CCOc2c1cnnc2N[C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169139790 785055630 /nfs/dbraw/zinc/05/56/30/785055630.db2.gz DJVXEHIGQYFUBJ-SJCJKPOMSA-N 1 3 319.453 2.261 20 0 DEADHO CC[NH+]1CCC(N2C[C@@H](C(=O)OC)[C@@H](c3ccccc3)C2)CC1 ZINC001169265583 785103822 /nfs/dbraw/zinc/10/38/22/785103822.db2.gz YKSKHBMJBSMXFZ-QZTJIDSGSA-N 1 3 316.445 2.359 20 0 DEADHO CCN1CCC([N@@H+]2CCC[C@]3(C2)COCCN(C(C)C)C3)CC1 ZINC001169250809 785117222 /nfs/dbraw/zinc/11/72/22/785117222.db2.gz SMNAFCFJVKGJGY-IBGZPJMESA-N 1 3 323.525 2.294 20 0 DEADHO CCN1CCC([N@H+]2CCC[C@]3(C2)COCCN(C(C)C)C3)CC1 ZINC001169250809 785117226 /nfs/dbraw/zinc/11/72/26/785117226.db2.gz SMNAFCFJVKGJGY-IBGZPJMESA-N 1 3 323.525 2.294 20 0 DEADHO CCOC(=O)[C@@H]1CC[C@@H](N2C(C)(C)CC([NH3+])CC2(C)C)CO1 ZINC001169317015 785129995 /nfs/dbraw/zinc/12/99/95/785129995.db2.gz AFBUBTXQSBXSDH-KGLIPLIRSA-N 1 3 312.454 2.077 20 0 DEADHO CCOC(=O)[C@H]1CC[C@H](N2C(C)(C)CC([NH3+])CC2(C)C)CO1 ZINC001169317016 785130614 /nfs/dbraw/zinc/13/06/14/785130614.db2.gz AFBUBTXQSBXSDH-UONOGXRCSA-N 1 3 312.454 2.077 20 0 DEADHO CC(=O)N1CCC[C@@H](NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)C1 ZINC001169596731 785254821 /nfs/dbraw/zinc/25/48/21/785254821.db2.gz JMBLKYAVUMOKCJ-IEBWSBKVSA-N 1 3 319.493 2.408 20 0 DEADHO C[C@H](CCCC[NH2+]C/C=C\Cl)NC(=O)[C@H](C1CC1)N(C)C ZINC001171248949 791126537 /nfs/dbraw/zinc/12/65/37/791126537.db2.gz ZGZSLUTVBJCHDU-BIZJWQCTSA-N 1 3 315.889 2.344 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001109928525 786102978 /nfs/dbraw/zinc/10/29/78/786102978.db2.gz ZWFDPJWXCZKLRP-SQNIBIBYSA-N 1 3 315.461 2.250 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001109928525 786102980 /nfs/dbraw/zinc/10/29/80/786102980.db2.gz ZWFDPJWXCZKLRP-SQNIBIBYSA-N 1 3 315.461 2.250 20 0 DEADHO CCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC001114285775 787197915 /nfs/dbraw/zinc/19/79/15/787197915.db2.gz TWMONZACWIEYTO-FVQHAEBGSA-N 1 3 321.509 2.488 20 0 DEADHO CCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC001114285775 787197918 /nfs/dbraw/zinc/19/79/18/787197918.db2.gz TWMONZACWIEYTO-FVQHAEBGSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[NH2+]C[C@H]1CCCC(F)(F)C1)N(C)C ZINC001129949536 787262176 /nfs/dbraw/zinc/26/21/76/787262176.db2.gz FIEYTOUEGPRMLW-KBPBESRZSA-N 1 3 319.440 2.104 20 0 DEADHO CCc1ccc(C[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001129950727 787262629 /nfs/dbraw/zinc/26/26/29/787262629.db2.gz YLGDTQQGPRTKFP-KRWDZBQOSA-N 1 3 305.466 2.041 20 0 DEADHO Cc1ccc(C)c(C[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001129947156 787265131 /nfs/dbraw/zinc/26/51/31/787265131.db2.gz MDVGBFNSMLDZLO-KRWDZBQOSA-N 1 3 305.466 2.095 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC[NH2+][C@@H](C)c1ccccc1C ZINC001130421622 787385547 /nfs/dbraw/zinc/38/55/47/787385547.db2.gz CRIKDRBENYBLGX-HNNXBMFYSA-N 1 3 305.466 2.492 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]C/C=C\c1ccccc1 ZINC001130419120 787393658 /nfs/dbraw/zinc/39/36/58/787393658.db2.gz LXJOBYYSTWJYHF-XFXZXTDPSA-N 1 3 303.450 2.136 20 0 DEADHO C[C@H](Nc1ccc([C@@H]2CCCC[N@@H+]2C)cn1)[C@@H]1CNCCO1 ZINC001170574751 787667199 /nfs/dbraw/zinc/66/71/99/787667199.db2.gz WPPIQKVQZFBRJE-BPUTZDHNSA-N 1 3 304.438 2.027 20 0 DEADHO C[C@H](Nc1ccc([C@@H]2CCCC[N@H+]2C)cn1)[C@@H]1CNCCO1 ZINC001170574751 787667203 /nfs/dbraw/zinc/66/72/03/787667203.db2.gz WPPIQKVQZFBRJE-BPUTZDHNSA-N 1 3 304.438 2.027 20 0 DEADHO C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCCCCF ZINC001133134151 788291306 /nfs/dbraw/zinc/29/13/06/788291306.db2.gz AFBAPHFORISUAX-LSDHHAIUSA-N 1 3 324.444 2.166 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCC2CC2)C1 ZINC001133177291 788307843 /nfs/dbraw/zinc/30/78/43/788307843.db2.gz DFPSWOXUNOVTKC-NVXWUHKLSA-N 1 3 309.498 2.203 20 0 DEADHO CCC[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@H]1C ZINC001133195476 788313602 /nfs/dbraw/zinc/31/36/02/788313602.db2.gz RFTSWTJMQALPDK-SJORKVTESA-N 1 3 309.498 2.203 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCC2CC2)C1 ZINC001133275853 788347033 /nfs/dbraw/zinc/34/70/33/788347033.db2.gz XJSKHZQSAPANTP-NVXWUHKLSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)=CC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C ZINC001133347771 788376853 /nfs/dbraw/zinc/37/68/53/788376853.db2.gz ZPQGUZMNELNKLY-IRXDYDNUSA-N 1 3 309.498 2.367 20 0 DEADHO Cc1ccc(C[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C)cc1C ZINC001133419739 788409742 /nfs/dbraw/zinc/40/97/42/788409742.db2.gz WOFXRGJKSHEZMO-QGZVFWFLSA-N 1 3 305.466 2.095 20 0 DEADHO Cc1cccc(CCC[NH2+]CCNC(=O)CN2CCC[C@@H]2C)c1 ZINC001133819890 788617909 /nfs/dbraw/zinc/61/79/09/788617909.db2.gz QMNNJMCYCAGTIS-KRWDZBQOSA-N 1 3 317.477 2.118 20 0 DEADHO Cc1ccc(C)c(C[NH2+]CCNC(=O)CN2CCC(C)(C)C2)c1 ZINC001133873378 788652934 /nfs/dbraw/zinc/65/29/34/788652934.db2.gz XIKFODFTKUCSAD-UHFFFAOYSA-N 1 3 317.477 2.241 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133894234 788662245 /nfs/dbraw/zinc/66/22/45/788662245.db2.gz YUMGSEHTNNVTCX-MRXNPFEDSA-N 1 3 317.477 2.494 20 0 DEADHO Cc1ccccc1C[NH2+]CCNC(=O)CN(C)CC(C)(C)C ZINC001133899608 788669348 /nfs/dbraw/zinc/66/93/48/788669348.db2.gz OHVFMLPSPNGYOA-UHFFFAOYSA-N 1 3 305.466 2.179 20 0 DEADHO C[C@H](C[C@H](C)NC(=O)C1(N(C)C)CCC1)[NH2+]C/C=C\Cl ZINC001134582907 788987557 /nfs/dbraw/zinc/98/75/57/788987557.db2.gz BICOROYGVATREW-VDQNYZKDSA-N 1 3 301.862 2.096 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccccc1 ZINC001134763054 789069741 /nfs/dbraw/zinc/06/97/41/789069741.db2.gz KFBZMOQWAUMHGG-KRWDZBQOSA-N 1 3 303.450 2.155 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccnc1 ZINC001134774246 789074621 /nfs/dbraw/zinc/07/46/21/789074621.db2.gz WUIBDSJJLNWWBS-LSDHHAIUSA-N 1 3 320.481 2.185 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC(F)(F)F ZINC001135979127 789581526 /nfs/dbraw/zinc/58/15/26/789581526.db2.gz CMTFJYOJYSWEDS-VXGBXAGGSA-N 1 3 311.392 2.154 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001135981195 789583101 /nfs/dbraw/zinc/58/31/01/789583101.db2.gz ZCZFNSUSKLGZTE-OLZOCXBDSA-N 1 3 319.440 2.246 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC2(C1)CC[N@H+](CC1CC(C)C1)C2 ZINC001147811579 791619828 /nfs/dbraw/zinc/61/98/28/791619828.db2.gz QDXZQAHTSFZFOO-UHFFFAOYSA-N 1 3 321.509 2.297 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC2(C1)CC[N@@H+](CC1CC(C)C1)C2 ZINC001147811579 791619834 /nfs/dbraw/zinc/61/98/34/791619834.db2.gz QDXZQAHTSFZFOO-UHFFFAOYSA-N 1 3 321.509 2.297 20 0 DEADHO Cc1ccc(CN(C)C(=O)[C@@H](N)CCCC[NH+](C)C)cc1C ZINC001161096547 791707744 /nfs/dbraw/zinc/70/77/44/791707744.db2.gz HLEUUFRKTLJJID-KRWDZBQOSA-N 1 3 305.466 2.321 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+][C@@H]1CCCc2ccccc21 ZINC001148642397 791779990 /nfs/dbraw/zinc/77/99/90/791779990.db2.gz HHNQGVNKMGZVKV-QGZVFWFLSA-N 1 3 303.450 2.112 20 0 DEADHO Cc1c(C(=O)N(CCCC[NH3+])C(=N)N)cccc1C(F)(F)F ZINC001148746756 791796049 /nfs/dbraw/zinc/79/60/49/791796049.db2.gz PMFZIMIHHJCGMX-UHFFFAOYSA-N 1 3 316.327 2.088 20 0 DEADHO CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001086941594 791856745 /nfs/dbraw/zinc/85/67/45/791856745.db2.gz YIKBADQTHNLMIF-MRXNPFEDSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C[C@@H]1C)CC[NH+](C(C)C)CC2)N(C)C ZINC001086943050 791858004 /nfs/dbraw/zinc/85/80/04/791858004.db2.gz INUZZTGUUSSSGJ-HOTGVXAUSA-N 1 3 309.498 2.438 20 0 DEADHO C[C@H]1CC2(CN1C(=O)Cc1c[nH]cn1)CC[NH+](CC1CC1)CC2 ZINC001086946287 791858502 /nfs/dbraw/zinc/85/85/02/791858502.db2.gz VMOJQWRFVMXKEB-AWEZNQCLSA-N 1 3 316.449 2.065 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C ZINC001092603010 792082131 /nfs/dbraw/zinc/08/21/31/792082131.db2.gz QYVKRYGHOZDSON-KBAYOESNSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C ZINC001092603010 792082142 /nfs/dbraw/zinc/08/21/42/792082142.db2.gz QYVKRYGHOZDSON-KBAYOESNSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC001093025009 792205267 /nfs/dbraw/zinc/20/52/67/792205267.db2.gz MKYHVOGFHGHCEK-BRWVUGGUSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC001093025009 792205270 /nfs/dbraw/zinc/20/52/70/792205270.db2.gz MKYHVOGFHGHCEK-BRWVUGGUSA-N 1 3 309.498 2.342 20 0 DEADHO CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N(C)CC ZINC001099497865 792225701 /nfs/dbraw/zinc/22/57/01/792225701.db2.gz RCGLLBWJOVRAKH-HZMVEIRTSA-N 1 3 321.509 2.296 20 0 DEADHO CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N(C)CC ZINC001099497865 792225707 /nfs/dbraw/zinc/22/57/07/792225707.db2.gz RCGLLBWJOVRAKH-HZMVEIRTSA-N 1 3 321.509 2.296 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(CC)CC ZINC001099539109 792235182 /nfs/dbraw/zinc/23/51/82/792235182.db2.gz ZGADNVYJQASZBF-FJIDUMEYSA-N 1 3 321.509 2.297 20 0 DEADHO CCCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(CC)CC ZINC001099539109 792235191 /nfs/dbraw/zinc/23/51/91/792235191.db2.gz ZGADNVYJQASZBF-FJIDUMEYSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@H](C(=O)NCC1CC([NH2+]CC2=CCCCC2)C1)N(C)C ZINC001100442625 792655208 /nfs/dbraw/zinc/65/52/08/792655208.db2.gz OUHVVYFOZGDPMF-OFLPRAFFSA-N 1 3 307.482 2.311 20 0 DEADHO CC(C)[C@H](C(=O)NCC1CC([NH2+]Cc2ccccc2)C1)N(C)C ZINC001100651783 792769716 /nfs/dbraw/zinc/76/97/16/792769716.db2.gz JANSJJVPBNBTCN-DAWZGUTISA-N 1 3 317.477 2.257 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCC1CC([NH2+]CC2CCCC2)C1 ZINC001100677030 792782443 /nfs/dbraw/zinc/78/24/43/792782443.db2.gz WPFANGKFPNWIOB-ODIFPOPNSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC2CC([NH2+]CCC(C)(C)C)C2)C1 ZINC001100678719 792784229 /nfs/dbraw/zinc/78/42/29/792784229.db2.gz VFDYBFWLMPCRNU-FHERZECASA-N 1 3 309.498 2.249 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1CC([NH2+]CCC(C)(C)C)C1 ZINC001100918183 792918393 /nfs/dbraw/zinc/91/83/93/792918393.db2.gz HYAAOVZSDQSBRV-UHFFFAOYSA-N 1 3 306.454 2.181 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC1)N1CCCC1 ZINC001110161473 793054842 /nfs/dbraw/zinc/05/48/42/793054842.db2.gz GUILCWNXFZIOKK-OWSLCNJRSA-N 1 3 319.493 2.238 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC1)N1CCCC1 ZINC001110161473 793054858 /nfs/dbraw/zinc/05/48/58/793054858.db2.gz GUILCWNXFZIOKK-OWSLCNJRSA-N 1 3 319.493 2.238 20 0 DEADHO CCCCC[N@@H+]1C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101364402 793134027 /nfs/dbraw/zinc/13/40/27/793134027.db2.gz RUFHABKLPZBQQH-SCTDSRPQSA-N 1 3 321.509 2.299 20 0 DEADHO CCCCC[N@H+]1C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101364402 793134028 /nfs/dbraw/zinc/13/40/28/793134028.db2.gz RUFHABKLPZBQQH-SCTDSRPQSA-N 1 3 321.509 2.299 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](C[C@H](C)CC)C[C@@]2(C)C1 ZINC001101443699 793163917 /nfs/dbraw/zinc/16/39/17/793163917.db2.gz OUGMYAVOQPAXPO-NUJGCVRESA-N 1 3 309.498 2.155 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](C[C@H](C)CC)C[C@@]2(C)C1 ZINC001101443699 793163923 /nfs/dbraw/zinc/16/39/23/793163923.db2.gz OUGMYAVOQPAXPO-NUJGCVRESA-N 1 3 309.498 2.155 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@H+](CC3CCCC3)C[C@@]2(C)C1 ZINC001101476353 793173541 /nfs/dbraw/zinc/17/35/41/793173541.db2.gz PAPSVJZPEUGSLA-MJGOQNOKSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@@H+](CC3CCCC3)C[C@@]2(C)C1 ZINC001101476353 793173547 /nfs/dbraw/zinc/17/35/47/793173547.db2.gz PAPSVJZPEUGSLA-MJGOQNOKSA-N 1 3 321.509 2.297 20 0 DEADHO COC(=O)CC[N@H+](CCCN(C)C)[C@@H]1Cc2cccc(F)c2C1 ZINC001171801171 793216940 /nfs/dbraw/zinc/21/69/40/793216940.db2.gz JCWMPPRBVNWTQD-OAHLLOKOSA-N 1 3 322.424 2.110 20 0 DEADHO COC(=O)CC[N@@H+](CCCN(C)C)[C@@H]1Cc2cccc(F)c2C1 ZINC001171801171 793216946 /nfs/dbraw/zinc/21/69/46/793216946.db2.gz JCWMPPRBVNWTQD-OAHLLOKOSA-N 1 3 322.424 2.110 20 0 DEADHO CC[C@@H](C(=O)N1CCC(C(C)(C)C[NH2+]CCF)CC1)N(C)C ZINC001101575815 793242021 /nfs/dbraw/zinc/24/20/21/793242021.db2.gz HFZBWIJTGZOFFE-HNNXBMFYSA-N 1 3 315.477 2.151 20 0 DEADHO NC1CC([NH2+]C2CCN(c3ccc(Br)cc3)CC2)C1 ZINC001171989756 793272424 /nfs/dbraw/zinc/27/24/24/793272424.db2.gz AMABNWFUWHQAFP-UHFFFAOYSA-N 1 3 324.266 2.497 20 0 DEADHO [NH3+]C1CC(NC2CCN(c3ccc(Br)cc3)CC2)C1 ZINC001171989756 793272429 /nfs/dbraw/zinc/27/24/29/793272429.db2.gz AMABNWFUWHQAFP-UHFFFAOYSA-N 1 3 324.266 2.497 20 0 DEADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc3c(c1)NC(=O)CO3)C2 ZINC001172109447 793332680 /nfs/dbraw/zinc/33/26/80/793332680.db2.gz DETLKRGOYHEEQU-QDMKHBRRSA-N 1 3 315.417 2.122 20 0 DEADHO CO[C@H]1CCC[C@@H]([NH2+]C2CCN(CC3CCOCC3)CC2)C1 ZINC001172926933 793535004 /nfs/dbraw/zinc/53/50/04/793535004.db2.gz ULQUXCHKHJPYTH-MSOLQXFVSA-N 1 3 310.482 2.425 20 0 DEADHO CC[NH+](CC)C1CCC(N2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)CC1 ZINC001173110202 793580873 /nfs/dbraw/zinc/58/08/73/793580873.db2.gz PWRNXINQKHBNJV-VLMYXLFRSA-N 1 3 310.482 2.111 20 0 DEADHO CC(C)CC[N@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102372290 793590664 /nfs/dbraw/zinc/59/06/64/793590664.db2.gz ATWYROIUJQXMGO-GVDBMIGSSA-N 1 3 309.498 2.058 20 0 DEADHO CC(C)CC[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102372290 793590670 /nfs/dbraw/zinc/59/06/70/793590670.db2.gz ATWYROIUJQXMGO-GVDBMIGSSA-N 1 3 309.498 2.058 20 0 DEADHO CCC[N@H+]1C[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)[C@H](C)C1 ZINC001102430108 793613086 /nfs/dbraw/zinc/61/30/86/793613086.db2.gz FKCCZYWXRKLQBU-IXDOHACOSA-N 1 3 309.498 2.345 20 0 DEADHO CCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)[C@H](C)C1 ZINC001102430108 793613091 /nfs/dbraw/zinc/61/30/91/793613091.db2.gz FKCCZYWXRKLQBU-IXDOHACOSA-N 1 3 309.498 2.345 20 0 DEADHO NC1CC([NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC001173414387 793714820 /nfs/dbraw/zinc/71/48/20/793714820.db2.gz CURZNFMHRRYVKN-UHFFFAOYSA-N 1 3 307.825 2.024 20 0 DEADHO [NH3+]C1CC(NC2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC001173414387 793714824 /nfs/dbraw/zinc/71/48/24/793714824.db2.gz CURZNFMHRRYVKN-UHFFFAOYSA-N 1 3 307.825 2.024 20 0 DEADHO COC(=O)c1ccc(C[C@@H](C)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC001173730407 793847913 /nfs/dbraw/zinc/84/79/13/793847913.db2.gz OBWMMVJJNDKUJG-DNVCBOLYSA-N 1 3 316.445 2.432 20 0 DEADHO COC(=O)c1ccc(C[C@@H](C)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC001173730407 793847920 /nfs/dbraw/zinc/84/79/20/793847920.db2.gz OBWMMVJJNDKUJG-DNVCBOLYSA-N 1 3 316.445 2.432 20 0 DEADHO CCc1cccc(C[NH2+]CCCNC(=O)Cc2nc[nH]c2C)c1 ZINC001174681886 794038803 /nfs/dbraw/zinc/03/88/03/794038803.db2.gz BZLCWKJCKXZUOW-UHFFFAOYSA-N 1 3 314.433 2.119 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)CCCC[NH2+]CC[C@@H](C)F ZINC001175786350 794288210 /nfs/dbraw/zinc/28/82/10/794288210.db2.gz JMWJNZIKDVJESC-CABCVRRESA-N 1 3 303.466 2.341 20 0 DEADHO CCOCCC[NH2+]CCCC[C@H](C)NC(=O)CN(CC)CC ZINC001175786356 794288749 /nfs/dbraw/zinc/28/87/49/794288749.db2.gz JRSXYNIXXQXIME-INIZCTEOSA-N 1 3 315.502 2.019 20 0 DEADHO Cc1cc(C[NH2+]CCCC[C@H](C)NC(=O)CN(C)C(C)C)on1 ZINC001176753668 794497389 /nfs/dbraw/zinc/49/73/89/794497389.db2.gz JZBCTRMCILYBRV-AWEZNQCLSA-N 1 3 324.469 2.088 20 0 DEADHO Cc1ccc(C)c(C[NH2+]CCCNC(=O)CN(C)C(C)C)c1 ZINC001176975177 794544776 /nfs/dbraw/zinc/54/47/76/794544776.db2.gz LRTHKTHTANQSPR-UHFFFAOYSA-N 1 3 305.466 2.240 20 0 DEADHO CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)Cc1c[nH]cn1 ZINC001177431177 794674729 /nfs/dbraw/zinc/67/47/29/794674729.db2.gz NTVUKTALKQZLQN-UHFFFAOYSA-N 1 3 306.454 2.359 20 0 DEADHO CC(C)N(C)CC(=O)N(CCC[NH2+]CCF)CC1CCCC1 ZINC001177489025 794680607 /nfs/dbraw/zinc/68/06/07/794680607.db2.gz RFFWEXPXTBBHJR-UHFFFAOYSA-N 1 3 315.477 2.295 20 0 DEADHO CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H]1C ZINC001178356215 794906941 /nfs/dbraw/zinc/90/69/41/794906941.db2.gz JDPWSNCRTZPDCE-RIGXYXMPSA-N 1 3 307.482 2.406 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CCC2CC2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001179550511 795135895 /nfs/dbraw/zinc/13/58/95/795135895.db2.gz YKSMJRRMCIYCJI-HOCLYGCPSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCCCCF)[C@@H]1C)N(C)C ZINC001179553953 795136892 /nfs/dbraw/zinc/13/68/92/795136892.db2.gz HTJZZAYRFRJROZ-KKUMJFAQSA-N 1 3 301.450 2.045 20 0 DEADHO CCN(CC)CC(=O)NCCCCCC[NH2+]Cc1ocnc1C ZINC001179851124 795188202 /nfs/dbraw/zinc/18/82/02/795188202.db2.gz VFBCILZTISQPNQ-UHFFFAOYSA-N 1 3 324.469 2.091 20 0 DEADHO C[N@H+](CC(=O)NCCc1c[nH]c2ccncc12)C1CCCC1 ZINC001180630983 795347495 /nfs/dbraw/zinc/34/74/95/795347495.db2.gz USVZQTXFBFPWDW-UHFFFAOYSA-N 1 3 300.406 2.096 20 0 DEADHO C[N@@H+](CC(=O)NCCc1c[nH]c2ccncc12)C1CCCC1 ZINC001180630983 795347498 /nfs/dbraw/zinc/34/74/98/795347498.db2.gz USVZQTXFBFPWDW-UHFFFAOYSA-N 1 3 300.406 2.096 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CCF)C1 ZINC001120449081 795462346 /nfs/dbraw/zinc/46/23/46/795462346.db2.gz JDTFVHGIIFRDLU-HZPDHXFCSA-N 1 3 313.461 2.001 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+]2CCF)C1 ZINC001120449081 795462349 /nfs/dbraw/zinc/46/23/49/795462349.db2.gz JDTFVHGIIFRDLU-HZPDHXFCSA-N 1 3 313.461 2.001 20 0 DEADHO CC(C)C[NH2+]C[C@]1(C)CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001181736836 795536379 /nfs/dbraw/zinc/53/63/79/795536379.db2.gz ZSJHMUZKGFBEKU-CRAIPNDOSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001181810691 795547427 /nfs/dbraw/zinc/54/74/27/795547427.db2.gz SXFKMPKKSNBLJN-SOLBZPMBSA-N 1 3 311.514 2.303 20 0 DEADHO CN(C)C1(C(=O)NC2CC3(C2)CC([NH2+]CC2CCC2)C3)CCC1 ZINC001121238778 795607182 /nfs/dbraw/zinc/60/71/82/795607182.db2.gz VXCJWYLOGYDRCJ-UHFFFAOYSA-N 1 3 319.493 2.288 20 0 DEADHO CC(C)C[NH2+]C1CC2(CC(NC(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001121267437 795609982 /nfs/dbraw/zinc/60/99/82/795609982.db2.gz MCEXCZBVRDENJX-HVEGKCCWSA-N 1 3 309.498 2.246 20 0 DEADHO CCN(C)C(C)(C)C(=O)NC1CC2(C1)CC([NH2+]CC(C)C)C2 ZINC001121318246 795616192 /nfs/dbraw/zinc/61/61/92/795616192.db2.gz AYAIZVDYCOQFLB-UHFFFAOYSA-N 1 3 309.498 2.390 20 0 DEADHO CC(C)=CC[NH2+]C1CC2(CC(NC(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001121772529 795685724 /nfs/dbraw/zinc/68/57/24/795685724.db2.gz CSHFUSAWBRMBFQ-FIXVGMIGSA-N 1 3 319.493 2.311 20 0 DEADHO CCN(CC)CC(=O)NC1CC2(C1)CC([NH2+]CC[C@@H](C)F)C2 ZINC001121935124 795706739 /nfs/dbraw/zinc/70/67/39/795706739.db2.gz IEMPZHPWZGJNPY-HOUHCIJLSA-N 1 3 313.461 2.093 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC2CC2)C1 ZINC001182615345 795722004 /nfs/dbraw/zinc/72/20/04/795722004.db2.gz WMGFVRPFFWXUQR-JTDSTZFVSA-N 1 3 321.509 2.345 20 0 DEADHO CCCN(C)CC(=O)NC1CC2(C1)CC([NH2+]CC1CCC1)C2 ZINC001122106283 795726225 /nfs/dbraw/zinc/72/62/25/795726225.db2.gz DBLWKKGATICZFW-UHFFFAOYSA-N 1 3 307.482 2.145 20 0 DEADHO CN(CC(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C1)C1CCC1 ZINC001183288790 795844486 /nfs/dbraw/zinc/84/44/86/795844486.db2.gz OMNDRXMWKFFXSJ-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO C[NH+](C)[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC001183379353 795869979 /nfs/dbraw/zinc/86/99/79/795869979.db2.gz HXFHWDPENGQPHG-OKZBNKHCSA-N 1 3 315.461 2.107 20 0 DEADHO CCCC[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001184565137 796084338 /nfs/dbraw/zinc/08/43/38/796084338.db2.gz FPGZNANCLGKYGD-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H](C[NH2+]CC2CCC2)[C@H](C)C1 ZINC001185357859 796238001 /nfs/dbraw/zinc/23/80/01/796238001.db2.gz FDCBBDMEOUWRLV-WBVHZDCISA-N 1 3 309.498 2.203 20 0 DEADHO C[C@H](N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)c1ccccc1F ZINC001185401540 796249636 /nfs/dbraw/zinc/24/96/36/796249636.db2.gz RZOYBJWEHLXASS-UONOGXRCSA-N 1 3 307.413 2.029 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001185924940 796339880 /nfs/dbraw/zinc/33/98/80/796339880.db2.gz HTXLWPXIKBZTCV-RLXIPRIJSA-N 1 3 324.428 2.246 20 0 DEADHO COCc1ccc(CN2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)s1 ZINC001139829980 796432724 /nfs/dbraw/zinc/43/27/24/796432724.db2.gz GIPFZDALZSJOLE-DLBZAZTESA-N 1 3 323.506 2.105 20 0 DEADHO CCN(CC)CC(=O)N1CCC([NH2+]CC=C(Cl)Cl)CC1 ZINC001203009998 796487481 /nfs/dbraw/zinc/48/74/81/796487481.db2.gz DOYTXLXHXICUEV-UHFFFAOYSA-N 1 3 322.280 2.228 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2C)C1 ZINC001187291654 796515060 /nfs/dbraw/zinc/51/50/60/796515060.db2.gz ZMCXDHYOAQFCEJ-QGZVFWFLSA-N 1 3 321.440 2.166 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC001187291453 796515118 /nfs/dbraw/zinc/51/51/18/796515118.db2.gz UBKRAMDGPHQZBT-QGZVFWFLSA-N 1 3 303.450 2.027 20 0 DEADHO CC[C@H](F)C[NH2+]C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001203042291 796529210 /nfs/dbraw/zinc/52/92/10/796529210.db2.gz VPBPWADHDZFNLI-HNNXBMFYSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001188146168 796632520 /nfs/dbraw/zinc/63/25/20/796632520.db2.gz WXXQNINSZDQRRY-MRXNPFEDSA-N 1 3 323.868 2.371 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001188158901 796640830 /nfs/dbraw/zinc/64/08/30/796640830.db2.gz ZIWWLAXZRMSVFF-CYBMUJFWSA-N 1 3 323.403 2.250 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001189389950 796816661 /nfs/dbraw/zinc/81/66/61/796816661.db2.gz MNECKQSMXWJJOG-HOTGVXAUSA-N 1 3 309.498 2.440 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001189389950 796816664 /nfs/dbraw/zinc/81/66/64/796816664.db2.gz MNECKQSMXWJJOG-HOTGVXAUSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)=CCN(C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001190653554 797049548 /nfs/dbraw/zinc/04/95/48/797049548.db2.gz DMWNWKLANCKSFJ-ZWKOTPCHSA-N 1 3 321.509 2.463 20 0 DEADHO CC(C)=CCN(C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001190653554 797049553 /nfs/dbraw/zinc/04/95/53/797049553.db2.gz DMWNWKLANCKSFJ-ZWKOTPCHSA-N 1 3 321.509 2.463 20 0 DEADHO CC/C=C\CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001190776036 797074345 /nfs/dbraw/zinc/07/43/45/797074345.db2.gz MHAWUEVZLIDPDC-JIPXFFRKSA-N 1 3 309.498 2.462 20 0 DEADHO CC/C=C\CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001190776036 797074349 /nfs/dbraw/zinc/07/43/49/797074349.db2.gz MHAWUEVZLIDPDC-JIPXFFRKSA-N 1 3 309.498 2.462 20 0 DEADHO O=C(CCCC[NH+]1CCCC1)NCCNCc1cccc(F)c1 ZINC001153314610 797320338 /nfs/dbraw/zinc/32/03/38/797320338.db2.gz PFBUGILWANGKJY-UHFFFAOYSA-N 1 3 321.440 2.298 20 0 DEADHO CC(C)CCC[N@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001192343454 797367066 /nfs/dbraw/zinc/36/70/66/797367066.db2.gz PFGCTCZAFUCFBJ-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CCC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001192343454 797367073 /nfs/dbraw/zinc/36/70/73/797367073.db2.gz PFGCTCZAFUCFBJ-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO C[N@H+](CCCC1CCCC1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192551975 797405159 /nfs/dbraw/zinc/40/51/59/797405159.db2.gz VFUASFFLEOYLBN-KRWDZBQOSA-N 1 3 318.465 2.455 20 0 DEADHO C[N@@H+](CCCC1CCCC1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192551975 797405163 /nfs/dbraw/zinc/40/51/63/797405163.db2.gz VFUASFFLEOYLBN-KRWDZBQOSA-N 1 3 318.465 2.455 20 0 DEADHO CCN(C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)CC[C@@H](C)F ZINC001154069945 797455338 /nfs/dbraw/zinc/45/53/38/797455338.db2.gz PYRURMIVMZYOGV-ZIAGYGMSSA-N 1 3 303.466 2.291 20 0 DEADHO CCN(C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CC[C@@H](C)F ZINC001154069945 797455339 /nfs/dbraw/zinc/45/53/39/797455339.db2.gz PYRURMIVMZYOGV-ZIAGYGMSSA-N 1 3 303.466 2.291 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC[C@H]([N@H+](C)CCCF)C1 ZINC001192904736 797468725 /nfs/dbraw/zinc/46/87/25/797468725.db2.gz CFTZYVIDBWMDQY-INIZCTEOSA-N 1 3 315.477 2.391 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)CCCF)C1 ZINC001192904736 797468726 /nfs/dbraw/zinc/46/87/26/797468726.db2.gz CFTZYVIDBWMDQY-INIZCTEOSA-N 1 3 315.477 2.391 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(F)cc2)C1 ZINC001192957320 797474397 /nfs/dbraw/zinc/47/43/97/797474397.db2.gz BDDWSEPYWRPDMO-KRWDZBQOSA-N 1 3 321.440 2.200 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001192957320 797474402 /nfs/dbraw/zinc/47/44/02/797474402.db2.gz BDDWSEPYWRPDMO-KRWDZBQOSA-N 1 3 321.440 2.200 20 0 DEADHO [NH3+]CCN(c1cc2c(nn1)CCNC2)c1cccc2ccccc21 ZINC001154683100 797589663 /nfs/dbraw/zinc/58/96/63/797589663.db2.gz GIVCVXLFENVMIS-UHFFFAOYSA-N 1 3 319.412 2.372 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC001193641685 797599739 /nfs/dbraw/zinc/59/97/39/797599739.db2.gz IXCKQBISLOBUCZ-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001193641685 797599742 /nfs/dbraw/zinc/59/97/42/797599742.db2.gz IXCKQBISLOBUCZ-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CC=C(C)C)C1 ZINC001194266336 797702805 /nfs/dbraw/zinc/70/28/05/797702805.db2.gz PAOBYJNSRUJIQF-IAGOWNOFSA-N 1 3 307.482 2.360 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC=C(C)C)C1 ZINC001194266336 797702807 /nfs/dbraw/zinc/70/28/07/797702807.db2.gz PAOBYJNSRUJIQF-IAGOWNOFSA-N 1 3 307.482 2.360 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)CC2CCCCC2)C1 ZINC001194295585 797711310 /nfs/dbraw/zinc/71/13/10/797711310.db2.gz RHKYGUCIOAJVAH-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001194295585 797711313 /nfs/dbraw/zinc/71/13/13/797711313.db2.gz RHKYGUCIOAJVAH-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCCN2C)c(Cl)c1 ZINC001155814145 797853654 /nfs/dbraw/zinc/85/36/54/797853654.db2.gz WZKFKFAGJOQYJJ-INIZCTEOSA-N 1 3 323.868 2.339 20 0 DEADHO CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001156617758 798043824 /nfs/dbraw/zinc/04/38/24/798043824.db2.gz QYKASRJTEVQMGW-WBTMPAOCSA-N 1 3 306.454 2.444 20 0 DEADHO CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001156617758 798043831 /nfs/dbraw/zinc/04/38/31/798043831.db2.gz QYKASRJTEVQMGW-WBTMPAOCSA-N 1 3 306.454 2.444 20 0 DEADHO C[NH+](C)CCCC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC001196970431 798127573 /nfs/dbraw/zinc/12/75/73/798127573.db2.gz DQTPXBZSLVEPML-UHFFFAOYSA-N 1 3 303.450 2.063 20 0 DEADHO CN(C(=O)[C@H](N)CCC[NH3+])C(c1ccccc1)c1ccccc1 ZINC001157498058 798218226 /nfs/dbraw/zinc/21/82/26/798218226.db2.gz WNTSBMKYDRHTBN-QGZVFWFLSA-N 1 3 311.429 2.301 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1c(C)cccc1C ZINC001152445595 798322147 /nfs/dbraw/zinc/32/21/47/798322147.db2.gz KINRTPHYHUXNHZ-GOSISDBHSA-N 1 3 317.477 2.384 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([NH2+]CC2=CCCCC2)CC1 ZINC001203925951 798442656 /nfs/dbraw/zinc/44/26/56/798442656.db2.gz ZZQVOXYQQPIHNH-UHFFFAOYSA-N 1 3 307.482 2.408 20 0 DEADHO Cc1nc(NCC23CC[NH+](CC2)CC3)cc(N2CCCC2)n1 ZINC001158823986 798474443 /nfs/dbraw/zinc/47/44/43/798474443.db2.gz IAPXPCNVXSNCMG-UHFFFAOYSA-N 1 3 301.438 2.283 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001199788416 798538574 /nfs/dbraw/zinc/53/85/74/798538574.db2.gz PHZYRIZPIGARQJ-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](N)c1ncc(-c2ccccc2)n1-c1cc(C2C[NH2+]C2)ncn1 ZINC001159598198 798585984 /nfs/dbraw/zinc/58/59/84/798585984.db2.gz WEXKHLYAVWWKGZ-LBPRGKRZSA-N 1 3 320.400 2.036 20 0 DEADHO CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001159628899 798590797 /nfs/dbraw/zinc/59/07/97/798590797.db2.gz QLILDSCBQAEROS-NVXWUHKLSA-N 1 3 307.482 2.265 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001159628899 798590799 /nfs/dbraw/zinc/59/07/99/798590799.db2.gz QLILDSCBQAEROS-NVXWUHKLSA-N 1 3 307.482 2.265 20 0 DEADHO CC1CC(C[N@H+]2CC=C(CCNC(=O)[C@H]3CCCN3C)CC2)C1 ZINC001159628399 798591223 /nfs/dbraw/zinc/59/12/23/798591223.db2.gz HSYXNGJASRRVOZ-VMWRSERWSA-N 1 3 319.493 2.265 20 0 DEADHO CC1CC(C[N@@H+]2CC=C(CCNC(=O)[C@H]3CCCN3C)CC2)C1 ZINC001159628399 798591229 /nfs/dbraw/zinc/59/12/29/798591229.db2.gz HSYXNGJASRRVOZ-VMWRSERWSA-N 1 3 319.493 2.265 20 0 DEADHO C[C@@H]([NH2+]CCCNC(=O)C1(N(C)C)CCC1)c1cccc(F)c1 ZINC001159860779 798619378 /nfs/dbraw/zinc/61/93/78/798619378.db2.gz FSBHEYOIOZWPQB-CQSZACIVSA-N 1 3 321.440 2.467 20 0 DEADHO CN(C)[C@H](C(=O)NCCC[NH2+]Cc1ccc(Cl)cc1)C1CC1 ZINC001159917473 798626234 /nfs/dbraw/zinc/62/62/34/798626234.db2.gz XBEMPMDRIQBBAW-INIZCTEOSA-N 1 3 323.868 2.276 20 0 DEADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CC1CCC2(CC2)CC1)C1CC1 ZINC001159932572 798627726 /nfs/dbraw/zinc/62/77/26/798627726.db2.gz SASGMADGJLBUQZ-QGZVFWFLSA-N 1 3 321.509 2.393 20 0 DEADHO [NH3+]Cc1ccc(Nc2ncc3c(n2)CCNC3)c(C(F)(F)F)c1 ZINC001160417846 798686967 /nfs/dbraw/zinc/68/69/67/798686967.db2.gz LFHXGUYEZIPWNS-UHFFFAOYSA-N 1 3 323.322 2.343 20 0 DEADHO N[C@H](C(=O)N1CCCC[C@@H]1C[NH+]1CCCC1)C1CCCCC1 ZINC001160460888 798691431 /nfs/dbraw/zinc/69/14/31/798691431.db2.gz GGIOASIHLKSCCE-SJORKVTESA-N 1 3 307.482 2.371 20 0 DEADHO O=C(NCCC1=CCN(CCF)CC1)c1ccn2c[nH+]cc2c1 ZINC001160617766 798713050 /nfs/dbraw/zinc/71/30/50/798713050.db2.gz RWGIEWNCDAAYML-UHFFFAOYSA-N 1 3 316.380 2.056 20 0 DEADHO CC[C@@H](C)CN1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001201509541 798764039 /nfs/dbraw/zinc/76/40/39/798764039.db2.gz RTILJUUJIJSEIE-OAHLLOKOSA-N 1 3 308.470 2.213 20 0 DEADHO CC(C)[C@H](C(=O)NCCC1=CC[N@H+](CCCF)CC1)N(C)C ZINC001161133731 798800933 /nfs/dbraw/zinc/80/09/33/798800933.db2.gz NZOCNEOQWPEKOL-MRXNPFEDSA-N 1 3 313.461 2.071 20 0 DEADHO CC(C)[C@H](C(=O)NCCC1=CC[N@@H+](CCCF)CC1)N(C)C ZINC001161133731 798800940 /nfs/dbraw/zinc/80/09/40/798800940.db2.gz NZOCNEOQWPEKOL-MRXNPFEDSA-N 1 3 313.461 2.071 20 0 DEADHO C[C@H](C(=O)N(Cc1ccccc1)C1CC[NH2+]CC1)N1CCCC1 ZINC001161424827 798853356 /nfs/dbraw/zinc/85/33/56/798853356.db2.gz NWJNUEAQMRDFPZ-MRXNPFEDSA-N 1 3 315.461 2.252 20 0 DEADHO CC(C)N(C(=O)[C@@H](N)C1CC[NH2+]CC1)[C@@H](C)c1ccccc1 ZINC001161443383 798861258 /nfs/dbraw/zinc/86/12/58/798861258.db2.gz RRLRPVOXWHEITP-YOEHRIQHSA-N 1 3 303.450 2.312 20 0 DEADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[C@H](N)c1cccc(C(F)(F)F)c1 ZINC001161530111 798876695 /nfs/dbraw/zinc/87/66/95/798876695.db2.gz SGBZHLNFTMPQFU-ICCXJUOJSA-N 1 3 315.339 2.043 20 0 DEADHO CC(C)(C)C(=O)Nc1ccc(CN)nc1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001162391128 799075555 /nfs/dbraw/zinc/07/55/55/799075555.db2.gz AABARNVWQVHSNI-NEPJUHHUSA-N 1 3 319.453 2.207 20 0 DEADHO CN1CCCC[C@@H]1c1ccc(N[C@@H]2COCCC23C[NH2+]C3)nc1 ZINC001163075115 799238621 /nfs/dbraw/zinc/23/86/21/799238621.db2.gz YDUOCGOJZASDKU-HZPDHXFCSA-N 1 3 316.449 2.029 20 0 DEADHO CCN(CC)CCNC(=[NH2+])Nc1nc(Cl)cc2[nH]ccc21 ZINC001163123217 799252472 /nfs/dbraw/zinc/25/24/72/799252472.db2.gz ZHZKQXKEIWCLET-UHFFFAOYSA-N 1 3 308.817 2.494 20 0 DEADHO CC[NH+](CC)CCNC(=N)Nc1cnc(-c2ccco2)cn1 ZINC001163126034 799253291 /nfs/dbraw/zinc/25/32/91/799253291.db2.gz NSDFPBRVQGTKFI-UHFFFAOYSA-N 1 3 302.382 2.015 20 0 DEADHO CCN(CC)Cc1cccc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)c1F ZINC001163147487 799260952 /nfs/dbraw/zinc/26/09/52/799260952.db2.gz XJEDKRZCZAUALH-FVQBIDKESA-N 1 3 307.413 2.066 20 0 DEADHO [NH3+]Cc1cc2cc(Cl)ccc2n1-c1ncnc2c1CNCC2 ZINC001163896242 799453454 /nfs/dbraw/zinc/45/34/54/799453454.db2.gz BXFUDMFCFNPNAO-UHFFFAOYSA-N 1 3 313.792 2.178 20 0 DEADHO COC(=O)c1ccc(OC)c(CN(C)CC2CC[NH+](C)CC2)c1 ZINC001137247776 799460519 /nfs/dbraw/zinc/46/05/19/799460519.db2.gz SDZLGEVQNVAEFR-UHFFFAOYSA-N 1 3 320.433 2.255 20 0 DEADHO CC(C)N(C)CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000198665256 799533580 /nfs/dbraw/zinc/53/35/80/799533580.db2.gz XNPDCZHDFFHDQP-UHFFFAOYSA-N 1 3 303.450 2.107 20 0 DEADHO CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001095533728 799650559 /nfs/dbraw/zinc/65/05/59/799650559.db2.gz LIJXYDQWVAIRES-QZWWFDLISA-N 1 3 305.466 2.135 20 0 DEADHO CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001095533728 799650561 /nfs/dbraw/zinc/65/05/61/799650561.db2.gz LIJXYDQWVAIRES-QZWWFDLISA-N 1 3 305.466 2.135 20 0 DEADHO CN(Cc1ccc(N2CC[C@@]3(C2)CCC[NH2+]C3)nc1)C1CC1 ZINC001165244968 799684766 /nfs/dbraw/zinc/68/47/66/799684766.db2.gz YYDQQPBLBFUCCU-SFHVURJKSA-N 1 3 300.450 2.256 20 0 DEADHO CN(C)[C@@H](C(=O)NCCC1(C[NH2+]CC2CCCC2)CC1)C1CC1 ZINC001165485118 799736997 /nfs/dbraw/zinc/73/69/97/799736997.db2.gz MLMRYUCCMNHKJU-QGZVFWFLSA-N 1 3 321.509 2.393 20 0 DEADHO CC[C@H](C)C[NH2+]CC1(CCNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001165617412 799751821 /nfs/dbraw/zinc/75/18/21/799751821.db2.gz NLZRYFTXRXNWRO-HOTGVXAUSA-N 1 3 311.514 2.495 20 0 DEADHO CC[C@H](C(=O)NCCC1(C[NH2+]Cc2ccsc2)CC1)N(C)C ZINC001165718284 799765729 /nfs/dbraw/zinc/76/57/29/799765729.db2.gz HIODLNGVQMHWAA-OAHLLOKOSA-N 1 3 323.506 2.464 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCC1(C[NH2+]CC2CCC2)CC1 ZINC001165810210 799777537 /nfs/dbraw/zinc/77/75/37/799777537.db2.gz ZUBLYCOZUOJQMK-UHFFFAOYSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)[C@H](C(=O)NCCC[NH2+][C@@H]1CCc2ccccc21)N(C)C ZINC001166010887 799812627 /nfs/dbraw/zinc/81/26/27/799812627.db2.gz UARUIWSPWHJEKI-QZTJIDSGSA-N 1 3 317.477 2.356 20 0 DEADHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2ccccc2C)CC1 ZINC001203455289 800051134 /nfs/dbraw/zinc/05/11/34/800051134.db2.gz FLDBQQDSFYLUKF-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO CC(C)C[C@H](C)C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203709748 800109794 /nfs/dbraw/zinc/10/97/94/800109794.db2.gz YIGLFLGORYNONJ-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203794721 800123892 /nfs/dbraw/zinc/12/38/92/800123892.db2.gz XZFUCPJIEATPEZ-HZPDHXFCSA-N 1 3 307.482 2.310 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC001203925642 800147268 /nfs/dbraw/zinc/14/72/68/800147268.db2.gz TZPLOEHNPOOOBO-UHFFFAOYSA-N 1 3 303.450 2.107 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCC2CCCC2)CC1 ZINC001204798930 800259185 /nfs/dbraw/zinc/25/91/85/800259185.db2.gz OVBWKOBDBOYRNP-SFHVURJKSA-N 1 3 321.509 2.489 20 0 DEADHO [NH3+]CC1CCN(Cc2ccc(O)c(OC(F)(F)F)c2)CC1 ZINC001205052740 800290669 /nfs/dbraw/zinc/29/06/69/800290669.db2.gz BDPUXZHIQBWEFK-UHFFFAOYSA-N 1 3 304.312 2.462 20 0 DEADHO CC(C)CC[NH2+]CC1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001205462499 800360375 /nfs/dbraw/zinc/36/03/75/800360375.db2.gz ZJSOEIMBPXAVAV-KRWDZBQOSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)CC[NH2+]CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001205469693 800361608 /nfs/dbraw/zinc/36/16/08/800361608.db2.gz UAXZHRUGHXWDDR-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO COc1ccc2c(c1)[nH]nc2CN1CCC[C@@](F)(C[NH3+])CC1 ZINC001205592582 800382184 /nfs/dbraw/zinc/38/21/84/800382184.db2.gz WQCHLDBHWAWPNM-INIZCTEOSA-N 1 3 306.385 2.224 20 0 DEADHO NC[C@@]1(O)CCCC[N@H+](Cc2ccc(O)c3ccccc23)C1 ZINC001205674119 800399779 /nfs/dbraw/zinc/39/97/79/800399779.db2.gz ZRVBTUOJOPBXLY-SFHVURJKSA-N 1 3 300.402 2.221 20 0 DEADHO NC[C@@]1(O)CCCC[N@@H+](Cc2ccc(O)c3ccccc23)C1 ZINC001205674119 800399785 /nfs/dbraw/zinc/39/97/85/800399785.db2.gz ZRVBTUOJOPBXLY-SFHVURJKSA-N 1 3 300.402 2.221 20 0 DEADHO NC[C@]1(O)CCCC[N@H+](Cc2ccc3cc(O)ccc3c2)C1 ZINC001205683022 800400961 /nfs/dbraw/zinc/40/09/61/800400961.db2.gz WLGHLDWEYRRIKC-GOSISDBHSA-N 1 3 300.402 2.221 20 0 DEADHO NC[C@]1(O)CCCC[N@@H+](Cc2ccc3cc(O)ccc3c2)C1 ZINC001205683022 800400963 /nfs/dbraw/zinc/40/09/63/800400963.db2.gz WLGHLDWEYRRIKC-GOSISDBHSA-N 1 3 300.402 2.221 20 0 DEADHO [NH3+]C[C@]1(O)CCCCN(Cc2ccc3cc(O)ccc3c2)C1 ZINC001205683022 800400965 /nfs/dbraw/zinc/40/09/65/800400965.db2.gz WLGHLDWEYRRIKC-GOSISDBHSA-N 1 3 300.402 2.221 20 0 DEADHO Nc1ccc(OC(F)(F)F)cc1C[N@@H+]1CC[C@@H](F)[C@@H](N)CC1 ZINC001206174244 800484862 /nfs/dbraw/zinc/48/48/62/800484862.db2.gz MUJATNTXBVNTJE-YPMHNXCESA-N 1 3 321.318 2.429 20 0 DEADHO Nc1ccc(OC(F)(F)F)cc1C[N@H+]1CC[C@@H](F)[C@@H](N)CC1 ZINC001206174244 800484864 /nfs/dbraw/zinc/48/48/64/800484864.db2.gz MUJATNTXBVNTJE-YPMHNXCESA-N 1 3 321.318 2.429 20 0 DEADHO [NH3+]C[C@@H]1CCCCN(Cc2ccccc2N2CCC(O)CC2)C1 ZINC001206616921 800566282 /nfs/dbraw/zinc/56/62/82/800566282.db2.gz UFOGRCXPEBHMJS-INIZCTEOSA-N 1 3 317.477 2.209 20 0 DEADHO CN(C)CC(C)(C)C[N@@H+]1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001207278888 800721233 /nfs/dbraw/zinc/72/12/33/800721233.db2.gz GAQJOJAOUVHRHE-BTTYYORXSA-N 1 3 311.470 2.029 20 0 DEADHO CN(C)CC(C)(C)C[N@H+]1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001207278888 800721239 /nfs/dbraw/zinc/72/12/39/800721239.db2.gz GAQJOJAOUVHRHE-BTTYYORXSA-N 1 3 311.470 2.029 20 0 DEADHO CC(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001208035486 800898691 /nfs/dbraw/zinc/89/86/91/800898691.db2.gz KGUANWUSBZASEP-IAGOWNOFSA-N 1 3 309.498 2.486 20 0 DEADHO C[NH+]1CCC(C)(CN2CCN(c3ccc(O)cc3)CC2)CC1 ZINC001208107008 800913329 /nfs/dbraw/zinc/91/33/29/800913329.db2.gz IKONXSBBQSLUEC-UHFFFAOYSA-N 1 3 303.450 2.246 20 0 DEADHO CN(CC1(C)CC[NH+](C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001208113493 800914976 /nfs/dbraw/zinc/91/49/76/800914976.db2.gz KEOTWWODMQNFOP-UHFFFAOYSA-N 1 3 311.470 2.269 20 0 DEADHO CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208328920 800956514 /nfs/dbraw/zinc/95/65/14/800956514.db2.gz KLEMFDQIUJEULT-SQRWCISFSA-N 1 3 307.482 2.408 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+]CCCCCF)C2)CCC1 ZINC001208331198 800956528 /nfs/dbraw/zinc/95/65/28/800956528.db2.gz NKOIQBZPDAZNFA-HNNXBMFYSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@H]1C)N(C)C ZINC001208530019 801004962 /nfs/dbraw/zinc/00/49/62/801004962.db2.gz BLMAXVNYGLHJPR-BZUAXINKSA-N 1 3 315.477 2.149 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCCCCF)C[C@H]1C)N(C)C ZINC001208530019 801004967 /nfs/dbraw/zinc/00/49/67/801004967.db2.gz BLMAXVNYGLHJPR-BZUAXINKSA-N 1 3 315.477 2.149 20 0 DEADHO C[N@@H+]1CCC[C@@H](CN2CC[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)C1 ZINC001208608888 801029965 /nfs/dbraw/zinc/02/99/65/801029965.db2.gz XHCNLGPIZRZLEX-OWCLPIDISA-N 1 3 323.481 2.412 20 0 DEADHO C[N@H+]1CCC[C@@H](CN2CC[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)C1 ZINC001208608888 801029970 /nfs/dbraw/zinc/02/99/70/801029970.db2.gz XHCNLGPIZRZLEX-OWCLPIDISA-N 1 3 323.481 2.412 20 0 DEADHO C[C@@H]1CN(C[C@@H]2CCC[N@H+](C)C2)CCC[C@@]1(O)C(F)(F)F ZINC001208608155 801030295 /nfs/dbraw/zinc/03/02/95/801030295.db2.gz QKFPAHPBUNFUPS-MCIONIFRSA-N 1 3 308.388 2.354 20 0 DEADHO C[C@@H]1CN(C[C@@H]2CCC[N@@H+](C)C2)CCC[C@@]1(O)C(F)(F)F ZINC001208608155 801030300 /nfs/dbraw/zinc/03/03/00/801030300.db2.gz QKFPAHPBUNFUPS-MCIONIFRSA-N 1 3 308.388 2.354 20 0 DEADHO COC(=O)C[C@H]1CCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208957990 801101852 /nfs/dbraw/zinc/10/18/52/801101852.db2.gz NATHTVKAGZDIOU-QZTJIDSGSA-N 1 3 316.445 2.394 20 0 DEADHO COC(=O)C[C@H]1CCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208957990 801101856 /nfs/dbraw/zinc/10/18/56/801101856.db2.gz NATHTVKAGZDIOU-QZTJIDSGSA-N 1 3 316.445 2.394 20 0 DEADHO CN1CC2(C1)CC[NH+](C[C@H]1CCN1C(=O)OC(C)(C)C)CC2 ZINC001209005264 801110768 /nfs/dbraw/zinc/11/07/68/801110768.db2.gz RZWAIDDIGBGHON-CQSZACIVSA-N 1 3 309.454 2.023 20 0 DEADHO Cc1ccc(F)c(CN[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001209456341 801195248 /nfs/dbraw/zinc/19/52/48/801195248.db2.gz ZUMBGIZRGYNPJN-INIZCTEOSA-N 1 3 321.440 2.166 20 0 DEADHO Cc1cc(CN2CCC(NC(=O)CC[NH+](C)C)CC2)cs1 ZINC001229008590 801208741 /nfs/dbraw/zinc/20/87/41/801208741.db2.gz QOYNWNLTYVBERR-UHFFFAOYSA-N 1 3 309.479 2.089 20 0 DEADHO CCCCC[NH2+][C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209661226 801249045 /nfs/dbraw/zinc/24/90/45/801249045.db2.gz VMNYRYVHDTZLRX-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001210812023 801468231 /nfs/dbraw/zinc/46/82/31/801468231.db2.gz SSHLYXKAQKNMFF-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)CCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001214861277 801768020 /nfs/dbraw/zinc/76/80/20/801768020.db2.gz OGTSJCRFBQKPLR-NVXWUHKLSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CCCCCF ZINC001215540625 801872809 /nfs/dbraw/zinc/87/28/09/801872809.db2.gz OIDJPPPAGAPODQ-BZUAXINKSA-N 1 3 313.461 2.047 20 0 DEADHO Cc1noc2nc(O[C@H]3CC[NH2+]C(C)(C)C3)c3c(c12)CCNC3 ZINC001218469573 802188630 /nfs/dbraw/zinc/18/86/30/802188630.db2.gz LMKZFGFJFLMYRM-NSHDSACASA-N 1 3 316.405 2.086 20 0 DEADHO Cc1cc(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)n(C2CCC2)n1 ZINC001218728971 802232961 /nfs/dbraw/zinc/23/29/61/802232961.db2.gz SKROGHYCDJTZOP-HNNXBMFYSA-N 1 3 321.469 2.351 20 0 DEADHO N[C@@H](CCC[NH3+])C(=O)Nc1ccc(C2(C(F)(F)F)CC2)cc1 ZINC001218817100 802243857 /nfs/dbraw/zinc/24/38/57/802243857.db2.gz YBAPOCROHNUODF-LBPRGKRZSA-N 1 3 315.339 2.285 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc2ccncc2c1 ZINC001218889848 802253333 /nfs/dbraw/zinc/25/33/33/802253333.db2.gz XLRSNCRFVPTFBP-INIZCTEOSA-N 1 3 300.406 2.233 20 0 DEADHO [NH3+]C1(c2ccc(NC(=O)c3ccc4c(n3)CCNC4)cc2)CCC1 ZINC001218973644 802268080 /nfs/dbraw/zinc/26/80/80/802268080.db2.gz NNNDQHRHGWLDNT-UHFFFAOYSA-N 1 3 322.412 2.318 20 0 DEADHO C[C@@H](C(=O)Nc1ccc2c(c1)CNCCO2)[C@H]1CC[NH2+][C@H](C)C1 ZINC001219028147 802276017 /nfs/dbraw/zinc/27/60/17/802276017.db2.gz QSUAXZLADZHNSR-MCIONIFRSA-N 1 3 317.433 2.131 20 0 DEADHO COc1cccc2c(NC(=O)[C@H](N)C3CC[NH2+]CC3)cccc12 ZINC001219362017 802316792 /nfs/dbraw/zinc/31/67/92/802316792.db2.gz BXWLJEALTICARI-QGZVFWFLSA-N 1 3 313.401 2.114 20 0 DEADHO COc1cc(C)c(NC(=O)[C@@H](N)CCCC[NH+](C)C)cc1C ZINC001219391417 802321892 /nfs/dbraw/zinc/32/18/92/802321892.db2.gz VXGZLLDJFJPQDU-AWEZNQCLSA-N 1 3 307.438 2.310 20 0 DEADHO NC1(C(=O)Nc2ccc3c(c2)CC[C@H]([NH+]2CCCC2)CC3)CC1 ZINC001219487093 802337366 /nfs/dbraw/zinc/33/73/66/802337366.db2.gz YNRYZGNPVIBMAI-QGZVFWFLSA-N 1 3 313.445 2.460 20 0 DEADHO O=C(NCc1cccc(C(F)F)c1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219739088 802372665 /nfs/dbraw/zinc/37/26/65/802372665.db2.gz GYXNTTMWISYJNU-CQSZACIVSA-N 1 3 323.387 2.115 20 0 DEADHO O=C(NCc1cccc(C(F)F)c1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219739088 802372672 /nfs/dbraw/zinc/37/26/72/802372672.db2.gz GYXNTTMWISYJNU-CQSZACIVSA-N 1 3 323.387 2.115 20 0 DEADHO CC(C)(NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)c1cccc(F)c1 ZINC001220393384 802453306 /nfs/dbraw/zinc/45/33/06/802453306.db2.gz UNMRBKZNXRKUGN-HNNXBMFYSA-N 1 3 319.424 2.051 20 0 DEADHO CC(C)(NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)c1cccc(F)c1 ZINC001220393384 802453313 /nfs/dbraw/zinc/45/33/13/802453313.db2.gz UNMRBKZNXRKUGN-HNNXBMFYSA-N 1 3 319.424 2.051 20 0 DEADHO Nc1cnc(CN2CCCC3(CCCC[NH2+]C3)CCC2)cn1 ZINC001222119296 802646658 /nfs/dbraw/zinc/64/66/58/802646658.db2.gz CBNWBIZHVROYHE-UHFFFAOYSA-N 1 3 303.454 2.195 20 0 DEADHO OCCC[N@@H+]1[C@H](COCc2ccccc2)CCC12CCNCC2 ZINC001222573761 802710163 /nfs/dbraw/zinc/71/01/63/802710163.db2.gz DJFWIBYFDGXMLN-SFHVURJKSA-N 1 3 318.461 2.172 20 0 DEADHO OCCC[N@H+]1[C@H](COCc2ccccc2)CCC12CCNCC2 ZINC001222573761 802710166 /nfs/dbraw/zinc/71/01/66/802710166.db2.gz DJFWIBYFDGXMLN-SFHVURJKSA-N 1 3 318.461 2.172 20 0 DEADHO OCCCN1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222573761 802710170 /nfs/dbraw/zinc/71/01/70/802710170.db2.gz DJFWIBYFDGXMLN-SFHVURJKSA-N 1 3 318.461 2.172 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC(CNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001224535163 802879415 /nfs/dbraw/zinc/87/94/15/802879415.db2.gz DEVWPFBAUYDSJN-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CC/C=C/CC[NH+]1CCC(NC(=O)C2(N(C)C)CCC2)CC1 ZINC001227807527 803282998 /nfs/dbraw/zinc/28/29/98/803282998.db2.gz SGUUETRUOGKMOK-AATRIKPKSA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]CCc2cccs2)C1 ZINC001330708100 1149263426 /nfs/dbraw/zinc/26/34/26/1149263426.db2.gz IRDYJCDZXFCRAK-SHTZXODSSA-N 1 3 323.506 2.115 20 0 DEADHO CC(C)(C(=O)NC[C@@H]([NH2+]C/C=C/Cl)C1CC1)N1CCCC1 ZINC001417993205 1167350788 /nfs/dbraw/zinc/35/07/88/1167350788.db2.gz QHPRPIGENGTJTN-LHRNQBEKSA-N 1 3 313.873 2.098 20 0 DEADHO C[NH+](C)CCC(=O)N[C@@H]1CCN(Cc2ccccc2C2CC2)C1 ZINC001370020094 1149352020 /nfs/dbraw/zinc/35/20/20/1149352020.db2.gz RUXROVXLQPYOHU-QGZVFWFLSA-N 1 3 315.461 2.206 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001370060645 1149372315 /nfs/dbraw/zinc/37/23/15/1149372315.db2.gz KKNXWTQHVAPTLD-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001370060645 1149372321 /nfs/dbraw/zinc/37/23/21/1149372321.db2.gz KKNXWTQHVAPTLD-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+](C)C[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001419330812 1168405197 /nfs/dbraw/zinc/40/51/97/1168405197.db2.gz GVBIQFQUYSUASA-DLBZAZTESA-N 1 3 309.498 2.155 20 0 DEADHO CC(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001419330812 1168405204 /nfs/dbraw/zinc/40/52/04/1168405204.db2.gz GVBIQFQUYSUASA-DLBZAZTESA-N 1 3 309.498 2.155 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]([NH2+]C/C=C\Cl)C2)c1 ZINC001370425890 1149696350 /nfs/dbraw/zinc/69/63/50/1149696350.db2.gz HYAAIXTVSIOPNL-FAOGRTBUSA-N 1 3 321.852 2.305 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](COC(=O)C2CCCN(C3CC3)C2=O)C1 ZINC001345072028 1150862988 /nfs/dbraw/zinc/86/29/88/1150862988.db2.gz SUUWYRBISWXBHF-ZBFHGGJFSA-N 1 3 322.449 2.051 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](COC(=O)C2CCCN(C3CC3)C2=O)C1 ZINC001345072028 1150862989 /nfs/dbraw/zinc/86/29/89/1150862989.db2.gz SUUWYRBISWXBHF-ZBFHGGJFSA-N 1 3 322.449 2.051 20 0 DEADHO CC[NH2+][C@@H](C)c1ccc(CNC(=O)Cc2nc[nH]c2C)cc1 ZINC001368415539 1148438909 /nfs/dbraw/zinc/43/89/09/1148438909.db2.gz SDXSLSKNWHMLDP-LBPRGKRZSA-N 1 3 300.406 2.248 20 0 DEADHO CC(C)(C)C(=O)N1CCC(CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC001575098618 1069366514 /nfs/dbraw/zinc/36/65/14/1069366514.db2.gz JNKUOYNJEQTJIJ-KDURUIRLSA-N 1 3 321.509 2.203 20 0 DEADHO CC(C)(C)CCN1CCN(Cc2nc3c(s2)C[NH2+]CC3)CC1 ZINC001575132846 1069374984 /nfs/dbraw/zinc/37/49/84/1069374984.db2.gz QLGCCLKTOVQDSL-UHFFFAOYSA-N 1 3 322.522 2.343 20 0 DEADHO CC(C)(C)N1CC[C@@](F)(C(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC001575141661 1069376482 /nfs/dbraw/zinc/37/64/82/1069376482.db2.gz XRLGNFFBADITLD-SFHVURJKSA-N 1 3 319.424 2.483 20 0 DEADHO CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+]2C[C@H]3CCC[C@]3(N)C2)C1 ZINC001575188059 1069389780 /nfs/dbraw/zinc/38/97/80/1069389780.db2.gz WCFCXJNHVGDDSK-RKVPGOIHSA-N 1 3 323.481 2.447 20 0 DEADHO CC(C)(C)OC(=O)N1CCC[C@H](C[N@H+]2C[C@H]3CCC[C@]3(N)C2)C1 ZINC001575188059 1069389787 /nfs/dbraw/zinc/38/97/87/1069389787.db2.gz WCFCXJNHVGDDSK-RKVPGOIHSA-N 1 3 323.481 2.447 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)N(C)C ZINC001368494352 1148467183 /nfs/dbraw/zinc/46/71/83/1148467183.db2.gz FFFRIISRMLMTNB-IXDOHACOSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001604054924 1070189563 /nfs/dbraw/zinc/18/95/63/1070189563.db2.gz MTKZINMIKMIXIP-GLQYFDAESA-N 1 3 300.410 2.035 20 0 DEADHO CC[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001604054924 1070189567 /nfs/dbraw/zinc/18/95/67/1070189567.db2.gz MTKZINMIKMIXIP-GLQYFDAESA-N 1 3 300.410 2.035 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CCCN(C/C=C/Cl)CC1)[NH+](C)C ZINC001368519293 1148475333 /nfs/dbraw/zinc/47/53/33/1148475333.db2.gz YEKFLOLDUPSNMB-VOTDVEDPSA-N 1 3 315.889 2.296 20 0 DEADHO C[C@@H](NC(=O)CN1CC[C@H](C)C1)C1C[NH+](CCC2CCCC2)C1 ZINC001369091074 1148846921 /nfs/dbraw/zinc/84/69/21/1148846921.db2.gz LYJOJWVKYIXTMU-JKSUJKDBSA-N 1 3 321.509 2.345 20 0 DEADHO CCCN(C(=O)C1C[NH+](C2CCCCC2)C1)[C@H]1CCN(C)C1 ZINC001452143666 1057015704 /nfs/dbraw/zinc/01/57/04/1057015704.db2.gz AMIRSXAIDVQQHR-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]2C[NH2+]CCC(C)(C)C)C1 ZINC001499925885 1058381431 /nfs/dbraw/zinc/38/14/31/1058381431.db2.gz CZGMKHPOOBKZDZ-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C)C1(C)CC1 ZINC001460888194 1058532364 /nfs/dbraw/zinc/53/23/64/1058532364.db2.gz FCCQIWHQWMINCU-GOEBONIOSA-N 1 3 303.450 2.184 20 0 DEADHO C[NH+](C)CCOc1ccc(CCNCc2nccs2)cc1 ZINC001461180843 1058605220 /nfs/dbraw/zinc/60/52/20/1058605220.db2.gz ULUIEVZCIWIVOE-UHFFFAOYSA-N 1 3 305.447 2.416 20 0 DEADHO CC(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001500620385 1058968252 /nfs/dbraw/zinc/96/82/52/1058968252.db2.gz LYIDQWODRNXOQI-CQSZACIVSA-N 1 3 319.440 2.056 20 0 DEADHO CC(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001500620385 1058968266 /nfs/dbraw/zinc/96/82/66/1058968266.db2.gz LYIDQWODRNXOQI-CQSZACIVSA-N 1 3 319.440 2.056 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001501170452 1059346680 /nfs/dbraw/zinc/34/66/80/1059346680.db2.gz VTHMGBTWWKTBQO-NRSFXHEJSA-N 1 3 319.493 2.097 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001501170452 1059346698 /nfs/dbraw/zinc/34/66/98/1059346698.db2.gz VTHMGBTWWKTBQO-NRSFXHEJSA-N 1 3 319.493 2.097 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]CC[C@H](C)F)CCC1 ZINC001501950535 1059800862 /nfs/dbraw/zinc/80/08/62/1059800862.db2.gz KTOMKMZHSFATQG-LSDHHAIUSA-N 1 3 313.461 2.236 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC2CCCCC2)C1 ZINC001502762813 1060280409 /nfs/dbraw/zinc/28/04/09/1060280409.db2.gz WRWKURAJINFJCF-DOTOQJQBSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)NC/C(Cl)=C\Cl ZINC001503473239 1060449235 /nfs/dbraw/zinc/44/92/35/1060449235.db2.gz AUMDFDMLJPHYKZ-LSHIQYPYSA-N 1 3 322.280 2.132 20 0 DEADHO C[C@@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)NC/C(Cl)=C\Cl ZINC001503473239 1060449246 /nfs/dbraw/zinc/44/92/46/1060449246.db2.gz AUMDFDMLJPHYKZ-LSHIQYPYSA-N 1 3 322.280 2.132 20 0 DEADHO CC(C)CCC[NH2+]CC1CC(NC(=O)CN2CC[C@H](C)C2)C1 ZINC001505518378 1060674776 /nfs/dbraw/zinc/67/47/76/1060674776.db2.gz HHMCYHSUECSKQC-GTPINHCMSA-N 1 3 309.498 2.249 20 0 DEADHO CCCN(C)CC(=O)NC1CC(C[NH2+]CC2CC(C)(C)C2)C1 ZINC001505530874 1060680199 /nfs/dbraw/zinc/68/01/99/1060680199.db2.gz GXVUZJUHXKJVQA-UHFFFAOYSA-N 1 3 309.498 2.249 20 0 DEADHO CC(C)c1cccc(CN[C@H](C)[C@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001505686591 1060867229 /nfs/dbraw/zinc/86/72/29/1060867229.db2.gz RIENTUSCQMABPV-CABCVRRESA-N 1 3 320.481 2.140 20 0 DEADHO Cc1noc(C2CC(NC[C@H]3CCC[N@H+](CC4CC4)C3)C2)n1 ZINC001474644936 1060909335 /nfs/dbraw/zinc/90/93/35/1060909335.db2.gz GJCTYGHQAZVZNQ-QQFBHYJXSA-N 1 3 304.438 2.336 20 0 DEADHO Cc1noc(C2CC(NC[C@H]3CCC[N@@H+](CC4CC4)C3)C2)n1 ZINC001474644936 1060909349 /nfs/dbraw/zinc/90/93/49/1060909349.db2.gz GJCTYGHQAZVZNQ-QQFBHYJXSA-N 1 3 304.438 2.336 20 0 DEADHO Cc1noc(C2CC([NH2+]C[C@H]3CCCN(CC4CC4)C3)C2)n1 ZINC001474644936 1060909369 /nfs/dbraw/zinc/90/93/69/1060909369.db2.gz GJCTYGHQAZVZNQ-QQFBHYJXSA-N 1 3 304.438 2.336 20 0 DEADHO CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001480296511 1062600066 /nfs/dbraw/zinc/60/00/66/1062600066.db2.gz BRMOZXAXZVHEAJ-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CCC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)N(C)C ZINC001480394796 1062792915 /nfs/dbraw/zinc/79/29/15/1062792915.db2.gz LPCSXSPWFDIMSN-QAESJKGTSA-N 1 3 307.482 2.119 20 0 DEADHO CCC/C=C/CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)N(C)C ZINC001480394796 1062792929 /nfs/dbraw/zinc/79/29/29/1062792929.db2.gz LPCSXSPWFDIMSN-QAESJKGTSA-N 1 3 307.482 2.119 20 0 DEADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]Cc1cccc(F)c1 ZINC001507087613 1062810700 /nfs/dbraw/zinc/81/07/00/1062810700.db2.gz FUDZGKUGAHSSPI-AWEZNQCLSA-N 1 3 321.440 2.247 20 0 DEADHO Cc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001507087130 1062811174 /nfs/dbraw/zinc/81/11/74/1062811174.db2.gz CQHJYCHZCGKACC-INIZCTEOSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1cccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCCN2C(C)C)c1 ZINC001480458299 1062893789 /nfs/dbraw/zinc/89/37/89/1062893789.db2.gz CHGFHWPPQHWTPI-WMZOPIPTSA-N 1 3 317.477 2.462 20 0 DEADHO C[C@H]1[C@H]([NH2+]CCCC2CCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001507288666 1063040012 /nfs/dbraw/zinc/04/00/12/1063040012.db2.gz MXYAXUYVAPSAHJ-XJKSGUPXSA-N 1 3 304.438 2.112 20 0 DEADHO Cc1ccc(F)c(CN[C@H]2C[C@@H](C)N(C(=O)CC[NH+](C)C)C2)c1 ZINC001507319694 1063087807 /nfs/dbraw/zinc/08/78/07/1063087807.db2.gz KYGCJQCGKLOUPT-ZBFHGGJFSA-N 1 3 321.440 2.165 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccsc2)C(C)(C)C1 ZINC001507454186 1063303881 /nfs/dbraw/zinc/30/38/81/1063303881.db2.gz TYIALIIFASWISS-OAHLLOKOSA-N 1 3 323.506 2.415 20 0 DEADHO CC[N@H+](CCNC(=O)[C@@H]1CCCCN1C(C)C)CC[C@H](C)F ZINC001493029235 1063491056 /nfs/dbraw/zinc/49/10/56/1063491056.db2.gz RTKWBAOBBKSYRZ-HOTGVXAUSA-N 1 3 315.477 2.436 20 0 DEADHO CC[N@@H+](CCNC(=O)[C@@H]1CCCCN1C(C)C)CC[C@H](C)F ZINC001493029235 1063491064 /nfs/dbraw/zinc/49/10/64/1063491064.db2.gz RTKWBAOBBKSYRZ-HOTGVXAUSA-N 1 3 315.477 2.436 20 0 DEADHO CC/C=C\CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CCC)C1 ZINC001494709619 1064425959 /nfs/dbraw/zinc/42/59/59/1064425959.db2.gz KNZJMJXTYLHLLD-JEZUCGJFSA-N 1 3 307.482 2.408 20 0 DEADHO CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CCC)C1 ZINC001494709619 1064425964 /nfs/dbraw/zinc/42/59/64/1064425964.db2.gz KNZJMJXTYLHLLD-JEZUCGJFSA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@](C)(C[NH2+]CCCF)C1CC1 ZINC001495250735 1064786985 /nfs/dbraw/zinc/78/69/85/1064786985.db2.gz USYUFNHGHIQEOJ-DOTOQJQBSA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H](CC[NH2+]C/C=C/Cl)C1 ZINC001495392617 1064876330 /nfs/dbraw/zinc/87/63/30/1064876330.db2.gz GJMMTUWDFAREOI-SBJJXXPASA-N 1 3 315.889 2.297 20 0 DEADHO CCN(CC[NH2+]Cc1ccccc1C)C(=O)CN(C)C1CCC1 ZINC001568749284 1065099044 /nfs/dbraw/zinc/09/90/44/1065099044.db2.gz YIEDYFHPUDUAJT-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO Cc1cc(CNC/C=C\CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cs1 ZINC001568952250 1065210496 /nfs/dbraw/zinc/21/04/96/1065210496.db2.gz VWQSZQXZKSUNER-JZIMQPMSSA-N 1 3 321.490 2.160 20 0 DEADHO Cc1cc(CNC/C=C\CNC(=O)C[C@@H]2CC[N@H+](C)C2)cs1 ZINC001568952250 1065210506 /nfs/dbraw/zinc/21/05/06/1065210506.db2.gz VWQSZQXZKSUNER-JZIMQPMSSA-N 1 3 321.490 2.160 20 0 DEADHO C[C@H]([NH2+]CCF)[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001496445588 1065474995 /nfs/dbraw/zinc/47/49/95/1065474995.db2.gz CEYFLSPQGUXLRL-LSDHHAIUSA-N 1 3 315.477 2.151 20 0 DEADHO O=C(CN1CCCC1)N1CCC[C@H]1C[NH2+]CCCC1CCC1 ZINC001569565266 1065596741 /nfs/dbraw/zinc/59/67/41/1065596741.db2.gz XIEAAIDTPQZJAE-KRWDZBQOSA-N 1 3 307.482 2.243 20 0 DEADHO C[C@@]1(C[NH2+]CCC2CCCC2)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001569686001 1065672579 /nfs/dbraw/zinc/67/25/79/1065672579.db2.gz WZICRNDPNCLCEK-SFHVURJKSA-N 1 3 318.465 2.361 20 0 DEADHO CC(C)C[N@H+](C)CCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001496781392 1065709158 /nfs/dbraw/zinc/70/91/58/1065709158.db2.gz OZZDVMZBKQLKKL-KRWDZBQOSA-N 1 3 315.477 2.245 20 0 DEADHO CC(C)C[N@@H+](C)CCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001496781392 1065709170 /nfs/dbraw/zinc/70/91/70/1065709170.db2.gz OZZDVMZBKQLKKL-KRWDZBQOSA-N 1 3 315.477 2.245 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H](CC[NH2+]CC2CC(C)C2)C1 ZINC001570022655 1065887266 /nfs/dbraw/zinc/88/72/66/1065887266.db2.gz YTGNIDYWJJDHGC-CGZBRXJRSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H](CC[NH2+]Cc1ccc(F)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001497204337 1065960716 /nfs/dbraw/zinc/96/07/16/1065960716.db2.gz BSIOGPLYDRCGAB-AWEZNQCLSA-N 1 3 321.440 2.294 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001497314564 1066023669 /nfs/dbraw/zinc/02/36/69/1066023669.db2.gz ZRSDOKJJQMEEHP-PBHICJAKSA-N 1 3 323.456 2.396 20 0 DEADHO CCCC[NH2+]CCN(CC)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001497453390 1066102445 /nfs/dbraw/zinc/10/24/45/1066102445.db2.gz BNUQGLOKBDLUJE-QGZVFWFLSA-N 1 3 315.477 2.437 20 0 DEADHO CCCC[NH2+]C/C=C\CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001497681668 1066234379 /nfs/dbraw/zinc/23/43/79/1066234379.db2.gz SYAGFQAROXXHAV-QWPQOLDESA-N 1 3 313.461 2.261 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC001575698938 1066404261 /nfs/dbraw/zinc/40/42/61/1066404261.db2.gz ACJVFZKIYOOWPG-SJLPKXTDSA-N 1 3 315.461 2.110 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](C(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC001575698938 1066404267 /nfs/dbraw/zinc/40/42/67/1066404267.db2.gz ACJVFZKIYOOWPG-SJLPKXTDSA-N 1 3 315.461 2.110 20 0 DEADHO C[C@](O)(CN[C@@H]1C[C@H]([NH3+])C12CCOCC2)c1ccccc1Cl ZINC001576267100 1066541409 /nfs/dbraw/zinc/54/14/09/1066541409.db2.gz UYZGTGYQXCABPE-XHSDSOJGSA-N 1 3 324.852 2.034 20 0 DEADHO CC1(C)O[C@@H]2C[C@@H]([NH2+]Cc3cc4c(s3)CCNC4)C[C@@H]2O1 ZINC001576494686 1066622615 /nfs/dbraw/zinc/62/26/15/1066622615.db2.gz DMRSZZOBIJWSFA-DEZZGGKRSA-N 1 3 308.447 2.166 20 0 DEADHO C[C@H]1[C@@H](NC(=O)CC[C@@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC001576574876 1066637762 /nfs/dbraw/zinc/63/77/62/1066637762.db2.gz ZGCOMDRPIVICLC-SZMVWBNQSA-N 1 3 315.461 2.298 20 0 DEADHO CC[C@](C)(C[NH3+])C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC001576947835 1066729581 /nfs/dbraw/zinc/72/95/81/1066729581.db2.gz BWUDAKXKULOAPQ-LJQANCHMSA-N 1 3 317.477 2.315 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001498505514 1066750717 /nfs/dbraw/zinc/75/07/17/1066750717.db2.gz SAEILCZLUNFZHF-SJORKVTESA-N 1 3 309.498 2.391 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC001577770304 1066924514 /nfs/dbraw/zinc/92/45/14/1066924514.db2.gz DPLMMINNWQLKPA-JENIJYKNSA-N 1 3 315.461 2.036 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)[C@H](N)C3CCCCC3)C[C@@H]2C1 ZINC001578410690 1067090534 /nfs/dbraw/zinc/09/05/34/1067090534.db2.gz JRMQQECPZTZQQW-YYIAUSFCSA-N 1 3 307.482 2.083 20 0 DEADHO CN(C)CCN(Cc1ccsc1)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC001578418944 1067091253 /nfs/dbraw/zinc/09/12/53/1067091253.db2.gz RBLBYJVIVCTZHH-LSDHHAIUSA-N 1 3 309.479 2.156 20 0 DEADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCN2CCCC2CCC2)C1 ZINC001499099851 1067093416 /nfs/dbraw/zinc/09/34/16/1067093416.db2.gz IAWKTHKDKMYBRM-SJORKVTESA-N 1 3 307.482 2.099 20 0 DEADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CCN2CCCC2CCC2)C1 ZINC001499099851 1067093430 /nfs/dbraw/zinc/09/34/30/1067093430.db2.gz IAWKTHKDKMYBRM-SJORKVTESA-N 1 3 307.482 2.099 20 0 DEADHO CN(C)c1nc(Cl)c(CNCCC[C@H]2CCC[NH2+]2)s1 ZINC001578430431 1067099567 /nfs/dbraw/zinc/09/95/67/1067099567.db2.gz UFJOWGWKCGDSPF-JTQLQIEISA-N 1 3 302.875 2.484 20 0 DEADHO CN(CCCN(C)C(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)Cc1ccco1 ZINC001578466299 1067111870 /nfs/dbraw/zinc/11/18/70/1067111870.db2.gz KSUXDKXETJVYNH-DLBZAZTESA-N 1 3 319.449 2.091 20 0 DEADHO CN(CCNC[C@H]([NH3+])CC(F)(F)F)Cc1ccc(F)cc1 ZINC001578473848 1067113801 /nfs/dbraw/zinc/11/38/01/1067113801.db2.gz QZTZSUKKRFRGRM-CYBMUJFWSA-N 1 3 307.335 2.127 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC001578529251 1067126968 /nfs/dbraw/zinc/12/69/68/1067126968.db2.gz SDXGANFJWXWBBP-IAGOWNOFSA-N 1 3 315.461 2.279 20 0 DEADHO C[NH2+]CC1CCN(C[C@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC001578664300 1067147365 /nfs/dbraw/zinc/14/73/65/1067147365.db2.gz PYKDPYSZJWLOPX-INIZCTEOSA-N 1 3 309.454 2.071 20 0 DEADHO COC(=O)C1(CNCc2cc(C(C)(C)[NH3+])no2)CCCCC1 ZINC001578780697 1067170180 /nfs/dbraw/zinc/17/01/80/1067170180.db2.gz GTGSKSMPIVHBSV-UHFFFAOYSA-N 1 3 309.410 2.082 20 0 DEADHO C[C@H](C(=O)NCC1([NH2+]CCC2CC2)CC1)N1CCCCCC1 ZINC001499370646 1067199684 /nfs/dbraw/zinc/19/96/84/1067199684.db2.gz AZQTUJNZRQYAMO-OAHLLOKOSA-N 1 3 307.482 2.289 20 0 DEADHO CO[C@H](c1ccccc1Cl)[C@@H](C)NCc1c(C[NH3+])cnn1C ZINC001578921052 1067200718 /nfs/dbraw/zinc/20/07/18/1067200718.db2.gz ZSPUWBWDQSFJGD-BZNIZROVSA-N 1 3 322.840 2.398 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001267019523 1078506470 /nfs/dbraw/zinc/50/64/70/1078506470.db2.gz VKWFBIBQNSVDQG-HNNXBMFYSA-N 1 3 304.438 2.113 20 0 DEADHO CCCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001267071224 1078546212 /nfs/dbraw/zinc/54/62/12/1078546212.db2.gz SWTQLDLOYIPXKV-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)C1C[NH+](CC2=CCCCC2)C1 ZINC001570843481 1068137608 /nfs/dbraw/zinc/13/76/08/1068137608.db2.gz JFGVXWYEFNUKHS-HNNXBMFYSA-N 1 3 319.493 2.408 20 0 DEADHO CC[C@@H](C(=O)NCC1=CC[N@H+](CC2CC(C)C2)CC1)N(C)C ZINC001571695504 1068487085 /nfs/dbraw/zinc/48/70/85/1068487085.db2.gz QIEOYDQHBHDZQS-PREGVCBESA-N 1 3 307.482 2.121 20 0 DEADHO CC[C@@H](C(=O)NCC1=CC[N@@H+](CC2CC(C)C2)CC1)N(C)C ZINC001571695504 1068487092 /nfs/dbraw/zinc/48/70/92/1068487092.db2.gz QIEOYDQHBHDZQS-PREGVCBESA-N 1 3 307.482 2.121 20 0 DEADHO CN(C)C1(C(=O)N(C)CC[NH2+]CCCc2ccccc2)CCC1 ZINC001267383835 1078817788 /nfs/dbraw/zinc/81/77/88/1078817788.db2.gz AKXPLXDFNYBSKA-UHFFFAOYSA-N 1 3 317.477 2.152 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCC[C@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001272419846 1078858870 /nfs/dbraw/zinc/85/88/70/1078858870.db2.gz ISQJCMRADDMBSJ-FUHWJXTLSA-N 1 3 309.498 2.299 20 0 DEADHO CC[C@H](C)C[N@H+]1CCC[C@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001272419846 1078858876 /nfs/dbraw/zinc/85/88/76/1078858876.db2.gz ISQJCMRADDMBSJ-FUHWJXTLSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H](CC[NH2+]C/C=C\Cl)C1)N(C)C ZINC001272465440 1078899419 /nfs/dbraw/zinc/89/94/19/1078899419.db2.gz GLMVZGFVSUBIBM-PYMSSDGJSA-N 1 3 315.889 2.153 20 0 DEADHO CN(C)[C@@H](CNC(=O)[C@H]([NH3+])C1CCCCC1)c1ccccc1 ZINC001645892253 1079040665 /nfs/dbraw/zinc/04/06/65/1079040665.db2.gz BGTIFCHVTOAIFB-DLBZAZTESA-N 1 3 303.450 2.313 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001549886633 1073315237 /nfs/dbraw/zinc/31/52/37/1073315237.db2.gz ZLLAVZHZQKZLIR-ZXFUBFMLSA-N 1 3 301.434 2.009 20 0 DEADHO [NH3+][C@H]1CCCCC[C@@H]1C(=O)Nc1ccc2c(c1)OCCNC2 ZINC001549902386 1073325219 /nfs/dbraw/zinc/32/52/19/1073325219.db2.gz CEWLPOVVGFPZFT-GJZGRUSLSA-N 1 3 303.406 2.015 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)C[C@@H]3CCC[C@@H]3[NH3+])C2)cc1 ZINC001550101545 1073427168 /nfs/dbraw/zinc/42/71/68/1073427168.db2.gz WWMDUYABMJLJCG-BZSNNMDCSA-N 1 3 315.461 2.203 20 0 DEADHO CN1CCCC[C@@H](CN2CCC(C)([NH+]3CCCC3)CC2)C1=O ZINC001550127502 1073443681 /nfs/dbraw/zinc/44/36/81/1073443681.db2.gz WMRMDZDKOXMLBM-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001550324261 1073591442 /nfs/dbraw/zinc/59/14/42/1073591442.db2.gz OJTKGJIVIKMYNH-QBPKDAKJSA-N 1 3 305.466 2.136 20 0 DEADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001550324261 1073591453 /nfs/dbraw/zinc/59/14/53/1073591453.db2.gz OJTKGJIVIKMYNH-QBPKDAKJSA-N 1 3 305.466 2.136 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001483798551 1079128868 /nfs/dbraw/zinc/12/88/68/1079128868.db2.gz IOVPMHJWJXFYDO-GOSISDBHSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001483798551 1079128869 /nfs/dbraw/zinc/12/88/69/1079128869.db2.gz IOVPMHJWJXFYDO-GOSISDBHSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@H]1C[C@@H]1c1noc(CC2CCN(C[C@H]3C[NH2+]C[C@H]3C)CC2)n1 ZINC001550350096 1073608474 /nfs/dbraw/zinc/60/84/74/1073608474.db2.gz HZZXVTKNOGZLTD-XNISGKROSA-N 1 3 318.465 2.303 20 0 DEADHO Nc1c(F)cccc1CN1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC001550705665 1073818601 /nfs/dbraw/zinc/81/86/01/1073818601.db2.gz ZKNMQICOEZILOI-IMJJTQAJSA-N 1 3 307.413 2.269 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001483952558 1079208446 /nfs/dbraw/zinc/20/84/46/1079208446.db2.gz XYJCQNUPSMNFLD-KRWDZBQOSA-N 1 3 321.440 2.248 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CCN3C3CCCC3)C[C@@H]2C1 ZINC001551322127 1074167498 /nfs/dbraw/zinc/16/74/98/1074167498.db2.gz MEMZPDGBGCWJEB-CYGHRXIMSA-N 1 3 319.493 2.192 20 0 DEADHO C[C@@H]1C[C@@H](C[NH2+]C2CCC(C)(N3CCOCC3)CC2)CCO1 ZINC001551382890 1074198808 /nfs/dbraw/zinc/19/88/08/1074198808.db2.gz YFJFPDAZNKVXCQ-VEZWFGLTSA-N 1 3 310.482 2.425 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001551875193 1074403991 /nfs/dbraw/zinc/40/39/91/1074403991.db2.gz JCKAVASKSFTOIX-YTQUADARSA-N 1 3 319.493 2.195 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001551875193 1074403992 /nfs/dbraw/zinc/40/39/92/1074403992.db2.gz JCKAVASKSFTOIX-YTQUADARSA-N 1 3 319.493 2.195 20 0 DEADHO CN(C)Cc1ccccc1CNC(=O)[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC001552150358 1074476473 /nfs/dbraw/zinc/47/64/73/1074476473.db2.gz ABEHFMLLOMMAEL-QZTJIDSGSA-N 1 3 315.461 2.000 20 0 DEADHO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1NCc2ccccc21 ZINC001552390676 1074564623 /nfs/dbraw/zinc/56/46/23/1074564623.db2.gz GXSKLVQHVYSUNZ-BRWVUGGUSA-N 1 3 301.434 2.210 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCCC[NH2+]C1 ZINC001552399425 1074567498 /nfs/dbraw/zinc/56/74/98/1074567498.db2.gz XOLGFOXVQXXDOX-KBAYOESNSA-N 1 3 315.461 2.013 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)[C@H]2CCCC[NH2+]C2)N(C)C)cc1 ZINC001552413830 1074572207 /nfs/dbraw/zinc/57/22/07/1074572207.db2.gz SVDJPXWNXZOUBU-ZWKOTPCHSA-N 1 3 317.477 2.358 20 0 DEADHO CN(C)Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C[NH3+])cc1C(F)(F)F ZINC001646785116 1074617581 /nfs/dbraw/zinc/61/75/81/1074617581.db2.gz SHJFYFIMQXUVHY-ZYHUDNBSSA-N 1 3 315.339 2.300 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC001646931860 1074703320 /nfs/dbraw/zinc/70/33/20/1074703320.db2.gz OXHOENULMJTUKG-GJZGRUSLSA-N 1 3 312.502 2.136 20 0 DEADHO COc1ccc(C[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(C)C)cc1 ZINC001647276042 1074866654 /nfs/dbraw/zinc/86/66/54/1074866654.db2.gz QMUWLYXCXHQSRM-DOTOQJQBSA-N 1 3 308.466 2.259 20 0 DEADHO COc1ccc(C[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(C)C)cc1 ZINC001647276042 1074866658 /nfs/dbraw/zinc/86/66/58/1074866658.db2.gz QMUWLYXCXHQSRM-DOTOQJQBSA-N 1 3 308.466 2.259 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)NCCCN(Cc2ccsc2)C2CC2)C1 ZINC001566602696 1075294210 /nfs/dbraw/zinc/29/42/10/1075294210.db2.gz LHARJVHXORKUAV-HNNXBMFYSA-N 1 3 321.490 2.171 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)NCCCN(Cc2ccsc2)C2CC2)C1 ZINC001566602696 1075294214 /nfs/dbraw/zinc/29/42/14/1075294214.db2.gz LHARJVHXORKUAV-HNNXBMFYSA-N 1 3 321.490 2.171 20 0 DEADHO CSc1ccc(C[NH2+][C@@H](C)CCCC[NH3+])cc1-c1nnn[n-]1 ZINC001591711786 1076777692 /nfs/dbraw/zinc/77/76/92/1076777692.db2.gz JTMJVKRZTFAAIU-NSHDSACASA-N 1 3 320.466 2.196 20 0 DEADHO CSc1ccc(C[NH2+][C@@H](C)CCCC[NH3+])cc1-c1nn[n-]n1 ZINC001591711786 1076777694 /nfs/dbraw/zinc/77/76/94/1076777694.db2.gz JTMJVKRZTFAAIU-NSHDSACASA-N 1 3 320.466 2.196 20 0 DEADHO C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC001650396117 1079585807 /nfs/dbraw/zinc/58/58/07/1079585807.db2.gz LOPWIAMNHAVAJQ-HRCADAONSA-N 1 3 315.461 2.493 20 0 DEADHO CC[C@@H](F)C[N@@H+]1CCC[C@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001484716582 1079742450 /nfs/dbraw/zinc/74/24/50/1079742450.db2.gz NAVUZYDNNUVLQA-CABCVRRESA-N 1 3 313.461 2.190 20 0 DEADHO CC[C@@H](F)C[N@H+]1CCC[C@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001484716582 1079742455 /nfs/dbraw/zinc/74/24/55/1079742455.db2.gz NAVUZYDNNUVLQA-CABCVRRESA-N 1 3 313.461 2.190 20 0 DEADHO CCCCC[N@@H+]1CC[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001481454861 1079883493 /nfs/dbraw/zinc/88/34/93/1079883493.db2.gz ZLLYZGJMXBYRNM-SJORKVTESA-N 1 3 309.498 2.347 20 0 DEADHO CCCCC[N@H+]1CC[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001481454861 1079883497 /nfs/dbraw/zinc/88/34/97/1079883497.db2.gz ZLLYZGJMXBYRNM-SJORKVTESA-N 1 3 309.498 2.347 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H]([NH2+]CCCC(C)C)C1 ZINC001656234767 1080070187 /nfs/dbraw/zinc/07/01/87/1080070187.db2.gz LEUKTDMWOVPSFD-SHTZXODSSA-N 1 3 306.454 2.181 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C[NH2+]CCCF)C1CCCCC1 ZINC001268122312 1080090853 /nfs/dbraw/zinc/09/08/53/1080090853.db2.gz HFGJFNAIYTYHGO-MRXNPFEDSA-N 1 3 324.444 2.275 20 0 DEADHO CC1CCC(C[NH+]2CC(CNC(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001481629617 1080161068 /nfs/dbraw/zinc/16/10/68/1080161068.db2.gz POSAYMYRVMYOOF-UHFFFAOYSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[N@H+](C)CC1CC(C)C1 ZINC001485350514 1080161257 /nfs/dbraw/zinc/16/12/57/1080161257.db2.gz OFWQMFFJKUHVHA-PCKAHOCUSA-N 1 3 311.514 2.447 20 0 DEADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[N@@H+](C)CC1CC(C)C1 ZINC001485350514 1080161261 /nfs/dbraw/zinc/16/12/61/1080161261.db2.gz OFWQMFFJKUHVHA-PCKAHOCUSA-N 1 3 311.514 2.447 20 0 DEADHO Cc1cc(C[N@@H+](C)CCCNC(=O)[C@@H]2CCCN2C)c(C)s1 ZINC001660080515 1080263204 /nfs/dbraw/zinc/26/32/04/1080263204.db2.gz AGIJDTYEOPEVLO-INIZCTEOSA-N 1 3 323.506 2.397 20 0 DEADHO Cc1cc(C[N@H+](C)CCCNC(=O)[C@@H]2CCCN2C)c(C)s1 ZINC001660080515 1080263214 /nfs/dbraw/zinc/26/32/14/1080263214.db2.gz AGIJDTYEOPEVLO-INIZCTEOSA-N 1 3 323.506 2.397 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCCN2CC)C1 ZINC001485707124 1080373113 /nfs/dbraw/zinc/37/31/13/1080373113.db2.gz SWGATNHHNKLSHH-KLHDSHLOSA-N 1 3 313.461 2.093 20 0 DEADHO Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)CN(C)C(C)C)cs1 ZINC001268427388 1080459682 /nfs/dbraw/zinc/45/96/82/1080459682.db2.gz WVRIFYCMPITXQV-CYBMUJFWSA-N 1 3 311.495 2.381 20 0 DEADHO CCC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001107035378 1080550967 /nfs/dbraw/zinc/55/09/67/1080550967.db2.gz DSSCIQDMMBJGDE-NVXWUHKLSA-N 1 3 317.477 2.456 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H](CC[NH2+]C/C=C/Cl)C1)N(C)C ZINC001481984287 1080669453 /nfs/dbraw/zinc/66/94/53/1080669453.db2.gz OAUZCZYRUNNLGL-SIEMXDPISA-N 1 3 315.889 2.297 20 0 DEADHO CC[C@H](F)CNCCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001663981402 1080845485 /nfs/dbraw/zinc/84/54/85/1080845485.db2.gz FWFOFFHJGCWIJX-GOEBONIOSA-N 1 3 313.461 2.190 20 0 DEADHO CC[C@H](F)CNCCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001663981402 1080845487 /nfs/dbraw/zinc/84/54/87/1080845487.db2.gz FWFOFFHJGCWIJX-GOEBONIOSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CCC1CC1 ZINC001268596624 1080853107 /nfs/dbraw/zinc/85/31/07/1080853107.db2.gz OAUDCZJYSXCOCH-CHYADLBTSA-N 1 3 307.482 2.311 20 0 DEADHO CC[C@H](C(=O)NC/C=C/C[NH2+][C@@H](C)c1ccc(F)cc1)N(C)C ZINC001268617839 1080895061 /nfs/dbraw/zinc/89/50/61/1080895061.db2.gz OTATWIPVCQMRPX-PRDNVKDRSA-N 1 3 321.440 2.489 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[NH2+]Cc1ccc(C)cc1C ZINC001664324761 1080895878 /nfs/dbraw/zinc/89/58/78/1080895878.db2.gz SHPAFULLFJRFFG-UHFFFAOYSA-N 1 3 305.466 2.193 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCC(F)(F)F ZINC001268706329 1080944659 /nfs/dbraw/zinc/94/46/59/1080944659.db2.gz DXZNTFOWWASIJE-QWHCGFSZSA-N 1 3 323.403 2.296 20 0 DEADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCCN(CC3=CCCCC3)C2)CC1 ZINC001665013028 1080983205 /nfs/dbraw/zinc/98/32/05/1080983205.db2.gz AIFBHFRQSSQNIK-QGZVFWFLSA-N 1 3 319.493 2.409 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CC[NH+](CC(C)C)CC1 ZINC001006445571 1081164661 /nfs/dbraw/zinc/16/46/61/1081164661.db2.gz JXJSXDMFJZISIQ-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C(=O)N(CC)CC[NH2+]C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001668618875 1081372969 /nfs/dbraw/zinc/37/29/69/1081372969.db2.gz CFBKZXDOHJLYNZ-KGLIPLIRSA-N 1 3 319.440 2.200 20 0 DEADHO Cc1cc(CNC/C=C\CNC(=O)C2CC[NH+](C)CC2)cs1 ZINC001669020548 1081419190 /nfs/dbraw/zinc/41/91/90/1081419190.db2.gz DQCZWBPXXGGLRJ-ARJAWSKDSA-N 1 3 321.490 2.160 20 0 DEADHO C[C@H](C[NH2+]CCCCC(F)(F)F)NC(=O)CN1CC[C@@H](C)C1 ZINC001669399947 1081449562 /nfs/dbraw/zinc/44/95/62/1081449562.db2.gz VINWWJPAQBLDRT-CHWSQXEVSA-N 1 3 323.403 2.155 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCc1ccccc1)N(C)C ZINC001270166267 1081464378 /nfs/dbraw/zinc/46/43/78/1081464378.db2.gz UTDQDRDOOUITOZ-QZTJIDSGSA-N 1 3 317.477 2.150 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC(C)C ZINC001270193836 1081471456 /nfs/dbraw/zinc/47/14/56/1081471456.db2.gz NFPYTHTYPNBJQT-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)C1(C(=O)N(C)CCC[NH2+]CCC2CCCC2)CCC1 ZINC001670124176 1081497858 /nfs/dbraw/zinc/49/78/58/1081497858.db2.gz ISHLDXDSAQSWIN-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001422562070 1081571047 /nfs/dbraw/zinc/57/10/47/1081571047.db2.gz NDIMJIBCKBCROP-XJKSGUPXSA-N 1 3 301.450 2.045 20 0 DEADHO CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001422562070 1081571053 /nfs/dbraw/zinc/57/10/53/1081571053.db2.gz NDIMJIBCKBCROP-XJKSGUPXSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]C/C=C/Cl)C1)N(C)C ZINC001270744338 1081620775 /nfs/dbraw/zinc/62/07/75/1081620775.db2.gz LPACFVJKAYQFGW-YKNXIFKJSA-N 1 3 315.889 2.153 20 0 DEADHO C[C@H](CNCc1cc2ccccc2o1)N(C)C(=O)CC[NH+](C)C ZINC001482327305 1081721295 /nfs/dbraw/zinc/72/12/95/1081721295.db2.gz ZIWAXRZXBNJZJS-CQSZACIVSA-N 1 3 317.433 2.321 20 0 DEADHO CCCCC[NH2+]C1(CNC(=O)Cc2nc[nH]c2C)CCCC1 ZINC001270818657 1081727802 /nfs/dbraw/zinc/72/78/02/1081727802.db2.gz AGQUCCDSJKXRGW-UHFFFAOYSA-N 1 3 306.454 2.469 20 0 DEADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001482356868 1081757206 /nfs/dbraw/zinc/75/72/06/1081757206.db2.gz SJUKYORPMAUJOT-ZIAGYGMSSA-N 1 3 319.440 2.200 20 0 DEADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001482356866 1081757334 /nfs/dbraw/zinc/75/73/34/1081757334.db2.gz SJUKYORPMAUJOT-KGLIPLIRSA-N 1 3 319.440 2.200 20 0 DEADHO CC(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001482451041 1081887993 /nfs/dbraw/zinc/88/79/93/1081887993.db2.gz QTQXOJDYXWZCPC-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001671257278 1081973730 /nfs/dbraw/zinc/97/37/30/1081973730.db2.gz QBOQFROPYIIMJR-PPPANMTLSA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]CCC(F)(F)F ZINC001482571440 1082251375 /nfs/dbraw/zinc/25/13/75/1082251375.db2.gz IFRSPBHEXYSXLW-GFCCVEGCSA-N 1 3 311.392 2.009 20 0 DEADHO CN(CC[NH2+]CC1CCC2(CC2)CC1)C(=O)CN(C)C1CCC1 ZINC001266726001 1082305680 /nfs/dbraw/zinc/30/56/80/1082305680.db2.gz CRDGZLWSVVMUEH-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266807534 1082360016 /nfs/dbraw/zinc/36/00/16/1082360016.db2.gz NCGIAICXDJGPHS-DLBZAZTESA-N 1 3 311.514 2.447 20 0 DEADHO Cc1cccc(C[NH2+]CC[C@@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001482903021 1082554687 /nfs/dbraw/zinc/55/46/87/1082554687.db2.gz WDXVVLOOCRKPAA-MRXNPFEDSA-N 1 3 305.466 2.320 20 0 DEADHO CCN(CC[NH2+]Cc1ccc(F)cc1C)C(=O)CN(C)C(C)C ZINC001482969941 1082586809 /nfs/dbraw/zinc/58/68/09/1082586809.db2.gz NFOPVFQIFMUILL-UHFFFAOYSA-N 1 3 323.456 2.412 20 0 DEADHO C[C@H]([NH2+]C/C=C\CNC(=O)[C@H]1CCCN1C)c1ccc(F)cc1 ZINC001483044304 1082647703 /nfs/dbraw/zinc/64/77/03/1082647703.db2.gz OMSCXIBLHBCHOJ-VGYGADJXSA-N 1 3 319.424 2.243 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1CC(C[NH2+]C[C@@H](C)CC(C)C)C1 ZINC001409274286 1082726032 /nfs/dbraw/zinc/72/60/32/1082726032.db2.gz GXVNBBILVFHOAQ-JEYLPNPQSA-N 1 3 320.481 2.427 20 0 DEADHO C[C@H](CNCc1cncs1)NC(=O)CCC[NH+]1CCCCC1 ZINC001483196472 1082801431 /nfs/dbraw/zinc/80/14/31/1082801431.db2.gz JRFRCNUKUHAZNZ-CQSZACIVSA-N 1 3 324.494 2.004 20 0 DEADHO C[C@@H](NC(=O)CCC[NH+]1CCCC1)[C@H](C)NCc1ccns1 ZINC001409472814 1082907707 /nfs/dbraw/zinc/90/77/07/1082907707.db2.gz NXPYAQNNEVOLPN-UONOGXRCSA-N 1 3 324.494 2.002 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CCCF ZINC001409631237 1082992377 /nfs/dbraw/zinc/99/23/77/1082992377.db2.gz LKKKRGIJNFQTSZ-GJZGRUSLSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CCCF ZINC001409631237 1082992379 /nfs/dbraw/zinc/99/23/79/1082992379.db2.gz LKKKRGIJNFQTSZ-GJZGRUSLSA-N 1 3 301.450 2.045 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)Cc1cccc(Cl)c1 ZINC001409681057 1083018433 /nfs/dbraw/zinc/01/84/33/1083018433.db2.gz LXGBGGWWCMZFHS-UKRRQHHQSA-N 1 3 323.868 2.228 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)Cc1cccc(Cl)c1 ZINC001409681057 1083018437 /nfs/dbraw/zinc/01/84/37/1083018437.db2.gz LXGBGGWWCMZFHS-UKRRQHHQSA-N 1 3 323.868 2.228 20 0 DEADHO C[C@@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)CN(C)CC(C)(C)C ZINC001483266602 1083064686 /nfs/dbraw/zinc/06/46/86/1083064686.db2.gz PXPBITWIFSXSNW-AWEZNQCLSA-N 1 3 311.514 2.495 20 0 DEADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC1)CC2)N(C)C ZINC001107451343 1083406108 /nfs/dbraw/zinc/40/61/08/1083406108.db2.gz UZZFWBCJVQXTKW-JFIYKMOQSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC1)CC2)N(C)C ZINC001107451343 1083406111 /nfs/dbraw/zinc/40/61/11/1083406111.db2.gz UZZFWBCJVQXTKW-JFIYKMOQSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1ccc(CN2CCCC3(CN(CC[NH+](C)C)C3)C2)c(C)n1 ZINC001276420764 1083424459 /nfs/dbraw/zinc/42/44/59/1083424459.db2.gz OAFHUDONUUUNOJ-UHFFFAOYSA-N 1 3 316.493 2.158 20 0 DEADHO CCCC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C(C)C)CCC[C@@H]12 ZINC001107646389 1083561759 /nfs/dbraw/zinc/56/17/59/1083561759.db2.gz HZMHIHLBNXXBAZ-SJLPKXTDSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1CC[C@@]2(CNC(=O)CN(C)C(C)C)CCC[C@@H]12 ZINC001107646389 1083561768 /nfs/dbraw/zinc/56/17/68/1083561768.db2.gz HZMHIHLBNXXBAZ-SJLPKXTDSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@H](C)CC[NH+](C)C)C2)cc1 ZINC001413425643 1083577119 /nfs/dbraw/zinc/57/71/19/1083577119.db2.gz CUCZKWHWZOVTCS-SJLPKXTDSA-N 1 3 317.477 2.273 20 0 DEADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1cc2ccccc2[nH]1 ZINC001276797808 1083616256 /nfs/dbraw/zinc/61/62/56/1083616256.db2.gz KVJFOLUFJABUER-OALUTQOASA-N 1 3 312.461 2.378 20 0 DEADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1cc2ccccc2[nH]1 ZINC001276797808 1083616266 /nfs/dbraw/zinc/61/62/66/1083616266.db2.gz KVJFOLUFJABUER-OALUTQOASA-N 1 3 312.461 2.378 20 0 DEADHO CCN1C[C@@H](NC(=O)c2cccc(CC[NH+](C)C)c2)C(C)(C)C1 ZINC001413664633 1083827874 /nfs/dbraw/zinc/82/78/74/1083827874.db2.gz YJYWDBIPIOJSDX-QGZVFWFLSA-N 1 3 317.477 2.251 20 0 DEADHO NC(=O)[C@@H]1CCN(CCC[NH+]2CCCCC2)[C@H]1c1ccccc1 ZINC001277182679 1083834472 /nfs/dbraw/zinc/83/44/72/1083834472.db2.gz IIRPTDAKPVZISH-MSOLQXFVSA-N 1 3 315.461 2.411 20 0 DEADHO CC[NH+](CC)CCN(C)C(=O)C12CC(NCc3ccoc3)(C1)C2 ZINC001277183165 1083836601 /nfs/dbraw/zinc/83/66/01/1083836601.db2.gz YABWHOMJLKFEGY-UHFFFAOYSA-N 1 3 319.449 2.092 20 0 DEADHO COc1ccc2nc(CN3CCC4(CC[N@H+](C)C4)CC3)[nH]c2c1 ZINC001277452971 1083977963 /nfs/dbraw/zinc/97/79/63/1083977963.db2.gz XVQRPXLHIBUJTK-UHFFFAOYSA-N 1 3 314.433 2.489 20 0 DEADHO COc1ccc2nc(CN3CCC4(CC[N@@H+](C)C4)CC3)[nH]c2c1 ZINC001277452971 1083977974 /nfs/dbraw/zinc/97/79/74/1083977974.db2.gz XVQRPXLHIBUJTK-UHFFFAOYSA-N 1 3 314.433 2.489 20 0 DEADHO C[C@@H](F)CC[N@@H+]1CCC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001491109315 1084082604 /nfs/dbraw/zinc/08/26/04/1084082604.db2.gz HCGWJTVJOIWFGY-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H](F)CC[N@H+]1CCC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001491109315 1084082614 /nfs/dbraw/zinc/08/26/14/1084082614.db2.gz HCGWJTVJOIWFGY-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)CC[C@@H](N)C(=O)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC001649089318 1084105808 /nfs/dbraw/zinc/10/58/08/1084105808.db2.gz HPWQWCMGGDXYGH-DOTOQJQBSA-N 1 3 309.498 2.378 20 0 DEADHO C[NH+]1CCC(CCN2CC[C@H]3C[C@]32C(=O)NC(C)(C)C)CC1 ZINC001277838528 1084168999 /nfs/dbraw/zinc/16/89/99/1084168999.db2.gz LCOMLNYODPZVJM-MAUKXSAKSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)(C)OC(=O)NCCN1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235232435 1084354415 /nfs/dbraw/zinc/35/44/15/1084354415.db2.gz IVIVXIQAWJEBRC-HNNXBMFYSA-N 1 3 311.470 2.365 20 0 DEADHO CC1(N2CCN(Cc3cccc4c3CCC4)CC2)CC[NH2+]CC1 ZINC001235821002 1084537759 /nfs/dbraw/zinc/53/77/59/1084537759.db2.gz WLLASEAESKYPIW-UHFFFAOYSA-N 1 3 313.489 2.435 20 0 DEADHO CCOC(=O)[C@]12CN(Cc3cccc(C)c3C)C[C@H]1C[NH2+]CC2 ZINC001236039100 1084596283 /nfs/dbraw/zinc/59/62/83/1084596283.db2.gz QYECSLDWKCHTRX-IEBWSBKVSA-N 1 3 316.445 2.278 20 0 DEADHO CSc1cc(C)cc(CN2CCC[C@@H](N3CC([NH3+])C3)C2)c1 ZINC001236079820 1084608008 /nfs/dbraw/zinc/60/80/08/1084608008.db2.gz ZCGUZYVRIKBHGH-MRXNPFEDSA-N 1 3 305.491 2.324 20 0 DEADHO C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)NCc1ccccc1F ZINC001485922689 1084986825 /nfs/dbraw/zinc/98/68/25/1084986825.db2.gz PPMZFWRSBPEBQR-CABCVRRESA-N 1 3 321.440 2.104 20 0 DEADHO C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)NCc1ccccc1F ZINC001485922689 1084986834 /nfs/dbraw/zinc/98/68/34/1084986834.db2.gz PPMZFWRSBPEBQR-CABCVRRESA-N 1 3 321.440 2.104 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC000960174705 1085138135 /nfs/dbraw/zinc/13/81/35/1085138135.db2.gz KYRMCPWAYJGHLE-VVLHAWIVSA-N 1 3 321.509 2.343 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC000960174705 1085138140 /nfs/dbraw/zinc/13/81/40/1085138140.db2.gz KYRMCPWAYJGHLE-VVLHAWIVSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)N(CC[N@H+](C)CC1CC1)C(=O)CN1CCC(C)CC1 ZINC001486378041 1085253754 /nfs/dbraw/zinc/25/37/54/1085253754.db2.gz WGZXBTQWPGIDCB-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)N(CC[N@@H+](C)CC1CC1)C(=O)CN1CCC(C)CC1 ZINC001486378041 1085253763 /nfs/dbraw/zinc/25/37/63/1085253763.db2.gz WGZXBTQWPGIDCB-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CC[NH2+]Cc1ccc(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)c(F)c1 ZINC001486525794 1085407790 /nfs/dbraw/zinc/40/77/90/1085407790.db2.gz YJBMZDRGALAEHH-KBPBESRZSA-N 1 3 321.440 2.424 20 0 DEADHO CC(C)C[NH2+]C1CC2(CC(NC(=O)CN3CCC[C@H]3C)C2)C1 ZINC000965061258 1085511013 /nfs/dbraw/zinc/51/10/13/1085511013.db2.gz BFNOHIJECSFPAS-XOGYLQAWSA-N 1 3 307.482 2.144 20 0 DEADHO CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961189845 1085630037 /nfs/dbraw/zinc/63/00/37/1085630037.db2.gz ZURHCKSTLMKLLW-HZPDHXFCSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961189845 1085630039 /nfs/dbraw/zinc/63/00/39/1085630039.db2.gz ZURHCKSTLMKLLW-HZPDHXFCSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1CC2(C1)CC([NH2+]CC1CC1)C2 ZINC000965933200 1085701541 /nfs/dbraw/zinc/70/15/41/1085701541.db2.gz SDNWTWJUQIHIGE-XTCOBUCRSA-N 1 3 319.493 2.286 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cc(C)ccc1F)N(C)C ZINC001273122782 1086277783 /nfs/dbraw/zinc/27/77/83/1086277783.db2.gz HTUCSISAZQGPTF-YOEHRIQHSA-N 1 3 323.456 2.459 20 0 DEADHO COc1nc(CNCC2(SC)CC[NH+](C)CC2)ccc1C ZINC001434526586 1086498585 /nfs/dbraw/zinc/49/85/85/1086498585.db2.gz FKVWRMMZGPEBLY-UHFFFAOYSA-N 1 3 309.479 2.316 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1ccc(C)cc1C ZINC001168763479 1087422059 /nfs/dbraw/zinc/42/20/59/1087422059.db2.gz OFMBXIIZUNVCJC-UHFFFAOYSA-N 1 3 305.466 2.241 20 0 DEADHO CC[C@H](C(=O)N1CCC2(CC1)CC[NH+](CC1CC1)CC2)N(C)C ZINC000957568997 1088417474 /nfs/dbraw/zinc/41/74/74/1088417474.db2.gz URWUREYWEVANPZ-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+](CC1CCC1)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000957689392 1088547871 /nfs/dbraw/zinc/54/78/71/1088547871.db2.gz BUKKZZKTGMLRAR-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+](CC1CCC1)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000957689392 1088547879 /nfs/dbraw/zinc/54/78/79/1088547879.db2.gz BUKKZZKTGMLRAR-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+](CC1CC1)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000957691002 1088549069 /nfs/dbraw/zinc/54/90/69/1088549069.db2.gz XPHHZRSXDGZEIN-KRWDZBQOSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@@H+](CC1CC1)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000957691002 1088549076 /nfs/dbraw/zinc/54/90/76/1088549076.db2.gz XPHHZRSXDGZEIN-KRWDZBQOSA-N 1 3 307.482 2.051 20 0 DEADHO CN(C)CC[NH2+][C@@]12CC[C@@](NCc3ccc(F)nc3)(C1)CCC2 ZINC001276327796 1089023188 /nfs/dbraw/zinc/02/31/88/1089023188.db2.gz HFKOGUPXFLSPLD-ZWKOTPCHSA-N 1 3 320.456 2.307 20 0 DEADHO CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001080554537 1089062112 /nfs/dbraw/zinc/06/21/12/1089062112.db2.gz UWRWEMPBOSARLF-BRWVUGGUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001080554537 1089062121 /nfs/dbraw/zinc/06/21/21/1089062121.db2.gz UWRWEMPBOSARLF-BRWVUGGUSA-N 1 3 309.498 2.488 20 0 DEADHO CC1CC(C[NH2+][C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C)C1 ZINC001082743940 1090067637 /nfs/dbraw/zinc/06/76/37/1090067637.db2.gz KJPCIIVUQMJYEZ-MNAZLIDISA-N 1 3 321.509 2.201 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CC3CCCC3)C[C@H]21)N(C)C ZINC001084638456 1090359650 /nfs/dbraw/zinc/35/96/50/1090359650.db2.gz DNRVHYGZZVQKPP-KZNAEPCWSA-N 1 3 321.509 2.296 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC3CCCC3)C[C@H]21)N(C)C ZINC001084638456 1090359655 /nfs/dbraw/zinc/35/96/55/1090359655.db2.gz DNRVHYGZZVQKPP-KZNAEPCWSA-N 1 3 321.509 2.296 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CC3)C[C@H]21 ZINC001084701772 1090402476 /nfs/dbraw/zinc/40/24/76/1090402476.db2.gz RBEQIIMCIUVYOP-KZNAEPCWSA-N 1 3 319.493 2.192 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CC3)C[C@H]21 ZINC001084701772 1090402479 /nfs/dbraw/zinc/40/24/79/1090402479.db2.gz RBEQIIMCIUVYOP-KZNAEPCWSA-N 1 3 319.493 2.192 20 0 DEADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]C/C=C/c1ccccc1)N(C)C ZINC001410431165 1090646298 /nfs/dbraw/zinc/64/62/98/1090646298.db2.gz FSDTZAFEVXOYLL-BSECCWRJSA-N 1 3 317.477 2.477 20 0 DEADHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]C/C=C/c1ccccc1 ZINC001274264301 1091156915 /nfs/dbraw/zinc/15/69/15/1091156915.db2.gz XTFAGTYTCMUYJR-QIHQHKENSA-N 1 3 313.445 2.056 20 0 DEADHO CC[C@@H](C(=O)NC/C=C/C[NH2+]CC1CCC(C)CC1)N(C)C ZINC001274371639 1091210893 /nfs/dbraw/zinc/21/08/93/1091210893.db2.gz YGNSJONZYZNQHJ-LUXGMQOYSA-N 1 3 309.498 2.415 20 0 DEADHO CC1CC[NH+](CC[C@H]2CCCN2C(=O)[C@H]2CCCN2C)CC1 ZINC001412459764 1091425546 /nfs/dbraw/zinc/42/55/46/1091425546.db2.gz KIGHTLRLANTZRU-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1ccccc1F)N(C)C ZINC001276058235 1091498686 /nfs/dbraw/zinc/49/86/86/1091498686.db2.gz VQXDHQLRBAIWFE-KRWDZBQOSA-N 1 3 323.456 2.350 20 0 DEADHO c1csc(CC[NH+]2CC3(C2)CCN(CCn2ccnc2)C3)c1 ZINC001274991642 1091508265 /nfs/dbraw/zinc/50/82/65/1091508265.db2.gz YDAXLVVQMLNVLC-UHFFFAOYSA-N 1 3 316.474 2.195 20 0 DEADHO CN(CCC[NH2+]Cc1ccsc1)C(=O)[C@@H]1CCCCN1C ZINC001276077345 1091511815 /nfs/dbraw/zinc/51/18/15/1091511815.db2.gz WXQIPNOZAVTTBD-HNNXBMFYSA-N 1 3 309.479 2.171 20 0 DEADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCN(C2CCCC2)[C@H](C)C1 ZINC001412610723 1091584334 /nfs/dbraw/zinc/58/43/34/1091584334.db2.gz LTLHHHWHGVJODZ-BZUAXINKSA-N 1 3 307.482 2.335 20 0 DEADHO COc1ccc(CN2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)cc1F ZINC001275301418 1091659668 /nfs/dbraw/zinc/65/96/68/1091659668.db2.gz LQOGRVVHMYPLIS-IRXDYDNUSA-N 1 3 321.440 2.045 20 0 DEADHO C[N@@H+]1CCC2(CN(C(=O)c3cccc(CN4CCCC4)c3)C2)C1 ZINC001275574732 1091876317 /nfs/dbraw/zinc/87/63/17/1091876317.db2.gz CRXVYIWJEJYMFH-UHFFFAOYSA-N 1 3 313.445 2.060 20 0 DEADHO C[N@H+]1CCC2(CN(C(=O)c3cccc(CN4CCCC4)c3)C2)C1 ZINC001275574732 1091876326 /nfs/dbraw/zinc/87/63/26/1091876326.db2.gz CRXVYIWJEJYMFH-UHFFFAOYSA-N 1 3 313.445 2.060 20 0 DEADHO CN(C)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2C[C@H]1CC=CCC1 ZINC001273517178 1091898859 /nfs/dbraw/zinc/89/88/59/1091898859.db2.gz YYXYTWKPTXFZSS-HKUYNNGSSA-N 1 3 319.493 2.361 20 0 DEADHO CN(C)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2C[C@H]1CC=CCC1 ZINC001273517178 1091898866 /nfs/dbraw/zinc/89/88/66/1091898866.db2.gz YYXYTWKPTXFZSS-HKUYNNGSSA-N 1 3 319.493 2.361 20 0 DEADHO CC[C@H](C)CN1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948755811 1091917703 /nfs/dbraw/zinc/91/77/03/1091917703.db2.gz MHITWFZBWCZVKT-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C)CN1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948755811 1091917711 /nfs/dbraw/zinc/91/77/11/1091917711.db2.gz MHITWFZBWCZVKT-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CCN(CC[NH2+]CCC1CCCC1)C(=O)CN1CC[C@H](C)C1 ZINC001273611168 1091953689 /nfs/dbraw/zinc/95/36/89/1091953689.db2.gz UVODIGAUKHADBI-INIZCTEOSA-N 1 3 309.498 2.347 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001411644114 1091957371 /nfs/dbraw/zinc/95/73/71/1091957371.db2.gz IMLYSCBPOAKRLC-BRWVUGGUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001411644114 1091957376 /nfs/dbraw/zinc/95/73/76/1091957376.db2.gz IMLYSCBPOAKRLC-BRWVUGGUSA-N 1 3 309.498 2.343 20 0 DEADHO CCC(CC)CN1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000948854237 1091967332 /nfs/dbraw/zinc/96/73/32/1091967332.db2.gz KPUPDMLFEKDLRC-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCC(CC)CN1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000948854237 1091967344 /nfs/dbraw/zinc/96/73/44/1091967344.db2.gz KPUPDMLFEKDLRC-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO C[NH+](C)CCN1CC2(C1)CCN(Cc1ccc(F)c(F)c1)CC2 ZINC001275933353 1092345335 /nfs/dbraw/zinc/34/53/35/1092345335.db2.gz DCEUJDXCXFIZHT-UHFFFAOYSA-N 1 3 323.431 2.424 20 0 DEADHO Cc1cc(C[N@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)cs1 ZINC001273943274 1092528211 /nfs/dbraw/zinc/52/82/11/1092528211.db2.gz YOIHYFFUJPYRKM-QGZVFWFLSA-N 1 3 321.490 2.043 20 0 DEADHO Cc1cc(C[N@@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)cs1 ZINC001273943274 1092528224 /nfs/dbraw/zinc/52/82/24/1092528224.db2.gz YOIHYFFUJPYRKM-QGZVFWFLSA-N 1 3 321.490 2.043 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001488828760 1092789688 /nfs/dbraw/zinc/78/96/88/1092789688.db2.gz NSRVNAQXYAHJFH-FPCVCCKLSA-N 1 3 313.461 2.092 20 0 DEADHO CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001489208131 1092973655 /nfs/dbraw/zinc/97/36/55/1092973655.db2.gz LUXLGNUKWIKWRL-DFOOCIKTSA-N 1 3 321.509 2.463 20 0 DEADHO CC/C=C\CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001489208131 1092973659 /nfs/dbraw/zinc/97/36/59/1092973659.db2.gz LUXLGNUKWIKWRL-DFOOCIKTSA-N 1 3 321.509 2.463 20 0 DEADHO CCN(CCF)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001490348837 1093295711 /nfs/dbraw/zinc/29/57/11/1093295711.db2.gz IHJPELRBCXNNDE-HNNXBMFYSA-N 1 3 301.450 2.047 20 0 DEADHO CCN(CCF)CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001490348837 1093295719 /nfs/dbraw/zinc/29/57/19/1093295719.db2.gz IHJPELRBCXNNDE-HNNXBMFYSA-N 1 3 301.450 2.047 20 0 DEADHO CC(C)=CC[NH+]1CCC2(C[C@@H]2NC(=O)C2(N(C)C)CCC2)CC1 ZINC001490594691 1093435844 /nfs/dbraw/zinc/43/58/44/1093435844.db2.gz HUJZKOSIVZHVTO-INIZCTEOSA-N 1 3 319.493 2.408 20 0 DEADHO c1cc2n(c1CN([C@@H]1CC[NH2+]C1)C1CCCCC1)CCNC2 ZINC001236650740 1138390389 /nfs/dbraw/zinc/39/03/89/1138390389.db2.gz DYVBALMQUWXWBW-QGZVFWFLSA-N 1 3 302.466 2.088 20 0 DEADHO CC(C)N1CCN(c2ccc(C3=CCC[NH2+]CC3)cn2)CC1 ZINC001238939713 1138888899 /nfs/dbraw/zinc/88/88/99/1138888899.db2.gz JUMDFXZBTVBFPV-UHFFFAOYSA-N 1 3 300.450 2.379 20 0 DEADHO Cc1cc(NC(=O)NC[C@H]2CCC3(CCNCC3)[NH2+]2)ccc1F ZINC001239215124 1138989163 /nfs/dbraw/zinc/98/91/63/1138989163.db2.gz JHLCDOHBDGPBPB-CQSZACIVSA-N 1 3 320.412 2.130 20 0 DEADHO Cc1ccc(NC(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)cc1C ZINC001239218258 1138991969 /nfs/dbraw/zinc/99/19/69/1138991969.db2.gz XNPOPMNPQLIBJQ-INIZCTEOSA-N 1 3 316.449 2.299 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+]CCC(F)(F)F ZINC001319224756 1140529522 /nfs/dbraw/zinc/52/95/22/1140529522.db2.gz JOGCSUXAZWPFOJ-GFCCVEGCSA-N 1 3 323.403 2.155 20 0 DEADHO c1cc(-c2ncc3c(n2)CCNC3)ccc1COC1CC[NH2+]CC1 ZINC001245402378 1140643379 /nfs/dbraw/zinc/64/33/79/1140643379.db2.gz JNDOHUBMZZMXBR-UHFFFAOYSA-N 1 3 324.428 2.058 20 0 DEADHO O[C@@]1(CNCC2c3ccccc3CCc3ccccc32)CC[NH2+]C1 ZINC001246006942 1140845234 /nfs/dbraw/zinc/84/52/34/1140845234.db2.gz WPJKCGBXZULFPO-NRFANRHFSA-N 1 3 322.452 2.231 20 0 DEADHO [NH3+][C@@H]1CCCN(C[C@H](O)COc2cccc3ccccc32)CC1 ZINC001246018327 1140846189 /nfs/dbraw/zinc/84/61/89/1140846189.db2.gz VOQBXFKSNSARTE-SJORKVTESA-N 1 3 314.429 2.393 20 0 DEADHO O[C@@]1(CN[C@H]2CCc3cc(Cl)ccc3C2)CCCC[NH2+]C1 ZINC001246090991 1140860497 /nfs/dbraw/zinc/86/04/97/1140860497.db2.gz CLBCLQOJLQSGER-IRXDYDNUSA-N 1 3 308.853 2.292 20 0 DEADHO O[C@@]1(C[NH2+][C@H]2CCc3cc(Cl)ccc3C2)CCCCNC1 ZINC001246090991 1140860498 /nfs/dbraw/zinc/86/04/98/1140860498.db2.gz CLBCLQOJLQSGER-IRXDYDNUSA-N 1 3 308.853 2.292 20 0 DEADHO C[C@H]1C[C@H]([NH2+]C2CCN(C(=O)C3CCCCC3)CC2)CCN1 ZINC001246352472 1140886903 /nfs/dbraw/zinc/88/69/03/1140886903.db2.gz RSNOWPOKOCPPBR-WMLDXEAASA-N 1 3 307.482 2.288 20 0 DEADHO O=C(OC1CCC([NH2+][C@H]2CC23CNC3)CC1)c1ccccc1 ZINC001246443661 1140899693 /nfs/dbraw/zinc/89/96/93/1140899693.db2.gz HROYITSETXFBEC-GPANFISMSA-N 1 3 300.402 2.106 20 0 DEADHO O=C(OC1CCC(N[C@H]2CC23C[NH2+]C3)CC1)c1ccccc1 ZINC001246443661 1140899695 /nfs/dbraw/zinc/89/96/95/1140899695.db2.gz HROYITSETXFBEC-GPANFISMSA-N 1 3 300.402 2.106 20 0 DEADHO CCN(CC[NH2+]Cc1ccc(F)cc1)C(=O)CN(C)C1CCC1 ZINC001320756744 1140913624 /nfs/dbraw/zinc/91/36/24/1140913624.db2.gz QOGXCIRCJRANPI-UHFFFAOYSA-N 1 3 321.440 2.248 20 0 DEADHO C[C@@H]1CC(N2C[C@@H](F)[C@@H](N)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001246525684 1140936193 /nfs/dbraw/zinc/93/61/93/1140936193.db2.gz KJEGUDLURUZZNQ-DTDBQYNISA-N 1 3 305.441 2.409 20 0 DEADHO COC(=O)[C@@H]1CCC[C@H](N2CCC(F)(F)[C@@H](C[NH3+])C2)CC1 ZINC001246553555 1140960214 /nfs/dbraw/zinc/96/02/14/1140960214.db2.gz BFYVOXVACKRXAO-AGIUHOORSA-N 1 3 304.381 2.024 20 0 DEADHO COC(=O)c1ccc(C[C@H](C)N2C[C@@H](C[NH3+])CC[C@@H]2C)cc1 ZINC001246595415 1140997435 /nfs/dbraw/zinc/99/74/35/1140997435.db2.gz ZNGJNOJPSHSNMY-OFQRWUPVSA-N 1 3 304.434 2.463 20 0 DEADHO COC(=O)c1ccc(C[C@H](C)[N@@H+]2C[C@@H](CN)CC[C@@H]2C)cc1 ZINC001246595415 1140997445 /nfs/dbraw/zinc/99/74/45/1140997445.db2.gz ZNGJNOJPSHSNMY-OFQRWUPVSA-N 1 3 304.434 2.463 20 0 DEADHO COC(=O)c1ccc(C[C@H](C)[N@H+]2C[C@@H](CN)CC[C@@H]2C)cc1 ZINC001246595415 1140997453 /nfs/dbraw/zinc/99/74/53/1140997453.db2.gz ZNGJNOJPSHSNMY-OFQRWUPVSA-N 1 3 304.434 2.463 20 0 DEADHO C[C@@H](Cc1ccc(F)cc1)N1CCNC[C@]2(CCCC[NH2+]2)C1 ZINC001246633235 1141014589 /nfs/dbraw/zinc/01/45/89/1141014589.db2.gz NETSAXHMENGMBR-MAUKXSAKSA-N 1 3 305.441 2.174 20 0 DEADHO Fc1ccc2c(c1)CC[C@@H](N1CC[NH2+]C[C@@]3(CCCCN3)C1)C2 ZINC001246637090 1141016472 /nfs/dbraw/zinc/01/64/72/1141016472.db2.gz XSSKYLFZYDRHQV-MOPGFXCFSA-N 1 3 317.452 2.101 20 0 DEADHO FC(F)(F)[C@@H]1C[C@@H]([N@H+](C[C@H]2CCCNC2)C2CC2)CCN1 ZINC001246975887 1141205605 /nfs/dbraw/zinc/20/56/05/1141205605.db2.gz UJCXSOCAXRQJHC-UBHSHLNASA-N 1 3 305.388 2.133 20 0 DEADHO FC(F)(F)[C@@H]1C[C@@H]([N@@H+](C[C@H]2CCCNC2)C2CC2)CCN1 ZINC001246975887 1141205624 /nfs/dbraw/zinc/20/56/24/1141205624.db2.gz UJCXSOCAXRQJHC-UBHSHLNASA-N 1 3 305.388 2.133 20 0 DEADHO COC(=O)c1ccc(CC2CC[NH+](C3CCNCC3)CC2)cc1 ZINC001246995760 1141229371 /nfs/dbraw/zinc/22/93/71/1141229371.db2.gz DXKNYSXLYOJORK-UHFFFAOYSA-N 1 3 316.445 2.480 20 0 DEADHO COC(=O)c1ccc(CC2CCN(C3CC[NH2+]CC3)CC2)cc1 ZINC001246995760 1141229392 /nfs/dbraw/zinc/22/93/92/1141229392.db2.gz DXKNYSXLYOJORK-UHFFFAOYSA-N 1 3 316.445 2.480 20 0 DEADHO O=C(CN1CCCC1)NC/C=C/C[NH2+]CCC1=CCCCC1 ZINC001321406510 1141231514 /nfs/dbraw/zinc/23/15/14/1141231514.db2.gz XMJUANHMAGQNJZ-SNAWJCMRSA-N 1 3 305.466 2.235 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCC2CC2)C1 ZINC001278582409 1142251963 /nfs/dbraw/zinc/25/19/63/1142251963.db2.gz LTKKYYOYGRMQLV-PKOBYXMFSA-N 1 3 321.509 2.489 20 0 DEADHO CCN(CC)C[C@H](O)C[N@H+](C1CCCC1)C1CCN(C)CC1 ZINC001253192671 1142851437 /nfs/dbraw/zinc/85/14/37/1142851437.db2.gz WPMCHRPFTSEZPP-SFHVURJKSA-N 1 3 311.514 2.028 20 0 DEADHO CCN(CC)C[C@H](O)C[N@@H+](C1CCCC1)C1CCN(C)CC1 ZINC001253192671 1142851438 /nfs/dbraw/zinc/85/14/38/1142851438.db2.gz WPMCHRPFTSEZPP-SFHVURJKSA-N 1 3 311.514 2.028 20 0 DEADHO CC[NH+](CC)C[C@@H](O)CNCCc1c[nH]c2c1cccc2C ZINC001253202952 1142853461 /nfs/dbraw/zinc/85/34/61/1142853461.db2.gz CZUIEXQAIGVLNI-INIZCTEOSA-N 1 3 303.450 2.311 20 0 DEADHO C[C@@H]1C[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)CCCO1 ZINC001254030620 1143028840 /nfs/dbraw/zinc/02/88/40/1143028840.db2.gz ZRBDTJUUGLIHDV-QGZVFWFLSA-N 1 3 318.461 2.124 20 0 DEADHO C[C@@H]1C[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)CCCO1 ZINC001254030620 1143028848 /nfs/dbraw/zinc/02/88/48/1143028848.db2.gz ZRBDTJUUGLIHDV-QGZVFWFLSA-N 1 3 318.461 2.124 20 0 DEADHO CC(=O)CC(C)(C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254051611 1143032649 /nfs/dbraw/zinc/03/26/49/1143032649.db2.gz UMLXYQGOLIHPEQ-UHFFFAOYSA-N 1 3 318.461 2.361 20 0 DEADHO COc1cc(C[NH2+][C@@H]2CCCN(C)CC2)ccc1OC1COC1 ZINC001254505069 1143146432 /nfs/dbraw/zinc/14/64/32/1143146432.db2.gz YSFJUWCOFJOUEN-OAHLLOKOSA-N 1 3 320.433 2.047 20 0 DEADHO CC[NH+](CC)CCCN1CCN(C2C[C@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254956786 1143372935 /nfs/dbraw/zinc/37/29/35/1143372935.db2.gz ODVMDAIGILBYDZ-IRXDYDNUSA-N 1 3 321.509 2.094 20 0 DEADHO C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCN(C)C1 ZINC001255427669 1143621971 /nfs/dbraw/zinc/62/19/71/1143621971.db2.gz UHUHTWYXWUGMKF-NEWSRXKRSA-N 1 3 301.478 2.438 20 0 DEADHO CC/C=C\CCN1CC[C@@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001479240627 1143802980 /nfs/dbraw/zinc/80/29/80/1143802980.db2.gz IIVJMFJBJHZHTQ-MWWKQMNYSA-N 1 3 307.482 2.217 20 0 DEADHO CCN(CC)CC[C@@H](C)[NH2+]C1CCN(c2ccncn2)CC1 ZINC001255951147 1143816289 /nfs/dbraw/zinc/81/62/89/1143816289.db2.gz GXCYGXWNMFKCGW-OAHLLOKOSA-N 1 3 305.470 2.155 20 0 DEADHO CC[NH+](CC)CC[C@@H](C)N[C@@H]1CCN(Cc2ccccn2)C1 ZINC001255953793 1143816621 /nfs/dbraw/zinc/81/66/21/1143816621.db2.gz OSQOZIJNPVRFKI-SJLPKXTDSA-N 1 3 304.482 2.366 20 0 DEADHO CC(C)CC[C@H](C)N1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001256374347 1143845132 /nfs/dbraw/zinc/84/51/32/1143845132.db2.gz ZJEPJUDQKDVXNG-HNNXBMFYSA-N 1 3 309.498 2.473 20 0 DEADHO CC[N@H+](C)C1CCN(C2CCN(Cc3ccncc3)CC2)CC1 ZINC001256597384 1143856279 /nfs/dbraw/zinc/85/62/79/1143856279.db2.gz RZNLXBZCEYMQEW-UHFFFAOYSA-N 1 3 316.493 2.462 20 0 DEADHO CC[N@@H+](C)C1CCN(C2CCN(Cc3ccncc3)CC2)CC1 ZINC001256597384 1143856280 /nfs/dbraw/zinc/85/62/80/1143856280.db2.gz RZNLXBZCEYMQEW-UHFFFAOYSA-N 1 3 316.493 2.462 20 0 DEADHO COc1ccc(C[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256678110 1143861610 /nfs/dbraw/zinc/86/16/10/1143861610.db2.gz KTHMLOUXFOTEMC-UHFFFAOYSA-N 1 3 304.434 2.428 20 0 DEADHO CCOC(CC[NH2+]C1CCC(N2CCOCC2)CC1)OCC ZINC001256683042 1143861988 /nfs/dbraw/zinc/86/19/88/1143861988.db2.gz QPMIJJGUQSAAAN-UHFFFAOYSA-N 1 3 314.470 2.009 20 0 DEADHO [NH3+]Cc1cccc2c1cnn2C1CCC(N2CCOCC2)CC1 ZINC001256683279 1143862016 /nfs/dbraw/zinc/86/20/16/1143862016.db2.gz VPBMTVZIGVTDRI-UHFFFAOYSA-N 1 3 314.433 2.311 20 0 DEADHO CC(C)N(C)[C@@H]1CC[N@@H+](C2CCC(N3CCOCC3)CC2)C1 ZINC001256697020 1143863099 /nfs/dbraw/zinc/86/30/99/1143863099.db2.gz RIRPEABYMNVCIG-DAWZGUTISA-N 1 3 309.498 2.044 20 0 DEADHO CC(C)N(C)[C@@H]1CC[N@H+](C2CCC(N3CCOCC3)CC2)C1 ZINC001256697020 1143863100 /nfs/dbraw/zinc/86/31/00/1143863100.db2.gz RIRPEABYMNVCIG-DAWZGUTISA-N 1 3 309.498 2.044 20 0 DEADHO FCCn1ccc(CNC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC001256853356 1143870614 /nfs/dbraw/zinc/87/06/14/1143870614.db2.gz ZJDVTFCVTJRBGG-UHFFFAOYSA-N 1 3 303.385 2.006 20 0 DEADHO COC(=O)Cc1cccc(C[NH2+]C2CCN(C(C)C)CC2)c1 ZINC001257213368 1143893677 /nfs/dbraw/zinc/89/36/77/1143893677.db2.gz LKQAQZOYHOFDOX-UHFFFAOYSA-N 1 3 304.434 2.365 20 0 DEADHO CC(C)[NH+]1CCC(N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC001257220453 1143894362 /nfs/dbraw/zinc/89/43/62/1143894362.db2.gz PSWHYEWXCCSJKU-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H](Cc1cccnc1)N[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001258619551 1144025791 /nfs/dbraw/zinc/02/57/91/1144025791.db2.gz RSAAMLKJUQJQOY-CRAIPNDOSA-N 1 3 303.450 2.103 20 0 DEADHO C[C@H](Cc1cccnc1)N[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001258619551 1144025793 /nfs/dbraw/zinc/02/57/93/1144025793.db2.gz RSAAMLKJUQJQOY-CRAIPNDOSA-N 1 3 303.450 2.103 20 0 DEADHO CCCN1CCC([N@@H+]2CC[C@@H](Oc3ncncc3C)C2)CC1 ZINC001258778091 1144041319 /nfs/dbraw/zinc/04/13/19/1144041319.db2.gz VMMDPJIRMFYEBU-MRXNPFEDSA-N 1 3 304.438 2.113 20 0 DEADHO CCCN1CCC([N@H+]2CC[C@@H](Oc3ncncc3C)C2)CC1 ZINC001258778091 1144041322 /nfs/dbraw/zinc/04/13/22/1144041322.db2.gz VMMDPJIRMFYEBU-MRXNPFEDSA-N 1 3 304.438 2.113 20 0 DEADHO CC[NH+](CC)CCC[C@H](C)NCc1cc(OCCOC)ncn1 ZINC001258905804 1144052701 /nfs/dbraw/zinc/05/27/01/1144052701.db2.gz XTXXCAOVIIURTQ-HNNXBMFYSA-N 1 3 324.469 2.102 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cn(CC)nc2C)[C@@H](C)C1 ZINC001262360423 1144309104 /nfs/dbraw/zinc/30/91/04/1144309104.db2.gz GGIPZSBDIHJPFV-MAUKXSAKSA-N 1 3 322.497 2.438 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]Cc2cn(CC)nc2C)[C@@H](C)C1 ZINC001262360425 1144309291 /nfs/dbraw/zinc/30/92/91/1144309291.db2.gz GGIPZSBDIHJPFV-YJBOKZPZSA-N 1 3 322.497 2.438 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H](C[NH2+]C/C=C\Cl)C1)N(C)C ZINC001265633598 1144719862 /nfs/dbraw/zinc/71/98/62/1144719862.db2.gz ZQFFBSDXYPHQGZ-JHSOUAKNSA-N 1 3 315.889 2.153 20 0 DEADHO CC[N@H+](CCCNC(=O)c1cccc(CN(C)C)c1)C1CC1 ZINC001266174742 1144811789 /nfs/dbraw/zinc/81/17/89/1144811789.db2.gz SJJCCWNKUFDIGV-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO CC[N@@H+](CCCNC(=O)c1cccc(CN(C)C)c1)C1CC1 ZINC001266174742 1144811790 /nfs/dbraw/zinc/81/17/90/1144811790.db2.gz SJJCCWNKUFDIGV-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO CC[N@H+](C)C[C@@H](O)CN1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001364544180 1145330079 /nfs/dbraw/zinc/33/00/79/1145330079.db2.gz CUGURIZEOOSPCV-FUHWJXTLSA-N 1 3 306.450 2.102 20 0 DEADHO CC[N@@H+](C)C[C@@H](O)CN1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001364544180 1145330088 /nfs/dbraw/zinc/33/00/88/1145330088.db2.gz CUGURIZEOOSPCV-FUHWJXTLSA-N 1 3 306.450 2.102 20 0 DEADHO C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001364640224 1145395907 /nfs/dbraw/zinc/39/59/07/1145395907.db2.gz PGQKVOKJOGHWMN-TXCZRRACSA-N 1 3 301.434 2.334 20 0 DEADHO CC[N@H+](CCC1CCN(CCNC(=O)C2CC2)CC1)CC1CC1 ZINC001364660092 1145420926 /nfs/dbraw/zinc/42/09/26/1145420926.db2.gz XWNLXRYOUNWJJI-UHFFFAOYSA-N 1 3 321.509 2.347 20 0 DEADHO CC[N@@H+](CCC1CCN(CCNC(=O)C2CC2)CC1)CC1CC1 ZINC001364660092 1145420955 /nfs/dbraw/zinc/42/09/55/1145420955.db2.gz XWNLXRYOUNWJJI-UHFFFAOYSA-N 1 3 321.509 2.347 20 0 DEADHO CC[NH+]1CCC(CN2CCNC(=O)C[C@@H]2c2ccccc2)CC1 ZINC001364676509 1145451331 /nfs/dbraw/zinc/45/13/31/1145451331.db2.gz MRLCPMWTGZVENA-GOSISDBHSA-N 1 3 315.461 2.282 20 0 DEADHO CC(C)N1CCC[C@@H](N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)C1=O ZINC001365348430 1145854619 /nfs/dbraw/zinc/85/46/19/1145854619.db2.gz ULOIINSJFADTSD-QRQLOZEOSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)N1CCC[C@@H](N2C[C@]34C[N@@H+](C)C[C@@]3(C2)CCCC4)C1=O ZINC001365348430 1145854620 /nfs/dbraw/zinc/85/46/20/1145854620.db2.gz ULOIINSJFADTSD-QRQLOZEOSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCCN1CCCCC1 ZINC001365391711 1145864573 /nfs/dbraw/zinc/86/45/73/1145864573.db2.gz JMEHLNSDRYCNMP-KRWDZBQOSA-N 1 3 324.513 2.282 20 0 DEADHO CC(C)(C)[C@@H](C[NH2+]CCF)NC(=O)C(C)(C)N1CCCCC1 ZINC001284590967 1145875698 /nfs/dbraw/zinc/87/56/98/1145875698.db2.gz RBQXYCBVGWKIRS-CQSZACIVSA-N 1 3 315.477 2.341 20 0 DEADHO CC[NH+]1CCC(CN2CCCN(CC(F)(F)F)CC2)CC1 ZINC001365553297 1145891770 /nfs/dbraw/zinc/89/17/70/1145891770.db2.gz SDMFVICERJSLMC-UHFFFAOYSA-N 1 3 307.404 2.288 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H](C)NCc1ccsc1)[NH+]1CCCC1 ZINC001366363862 1147235271 /nfs/dbraw/zinc/23/52/71/1147235271.db2.gz GVZKPVQVEPQAAQ-GOEBONIOSA-N 1 3 323.506 2.463 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[N@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001366567297 1147358835 /nfs/dbraw/zinc/35/88/35/1147358835.db2.gz SAXHUHCBXLKSTE-MRXNPFEDSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[N@@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001366567297 1147358841 /nfs/dbraw/zinc/35/88/41/1147358841.db2.gz SAXHUHCBXLKSTE-MRXNPFEDSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@H](c1ccc(Cl)cc1)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001366587806 1147375331 /nfs/dbraw/zinc/37/53/31/1147375331.db2.gz RHGRKFLGRBSXMO-UKRRQHHQSA-N 1 3 323.868 2.401 20 0 DEADHO C[C@H](c1ccc(Cl)cc1)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001366587806 1147375335 /nfs/dbraw/zinc/37/53/35/1147375335.db2.gz RHGRKFLGRBSXMO-UKRRQHHQSA-N 1 3 323.868 2.401 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@H+](C)[C@@H]1CCc2c1cccc2F ZINC001366597755 1147382125 /nfs/dbraw/zinc/38/21/25/1147382125.db2.gz UGCHAAAASDEYNW-QGZVFWFLSA-N 1 3 321.440 2.201 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@@H+](C)[C@@H]1CCc2c1cccc2F ZINC001366597755 1147382129 /nfs/dbraw/zinc/38/21/29/1147382129.db2.gz UGCHAAAASDEYNW-QGZVFWFLSA-N 1 3 321.440 2.201 20 0 DEADHO CC[N@H+](CCNC(=O)Cc1nc[nH]c1C)CCC1CCCC1 ZINC001366639052 1147426982 /nfs/dbraw/zinc/42/69/82/1147426982.db2.gz CCVCPEXNFSWGDQ-UHFFFAOYSA-N 1 3 306.454 2.279 20 0 DEADHO CC[N@@H+](CCNC(=O)Cc1nc[nH]c1C)CCC1CCCC1 ZINC001366639052 1147426986 /nfs/dbraw/zinc/42/69/86/1147426986.db2.gz CCVCPEXNFSWGDQ-UHFFFAOYSA-N 1 3 306.454 2.279 20 0 DEADHO Cc1ccccc1CN1CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001366985183 1147628732 /nfs/dbraw/zinc/62/87/32/1147628732.db2.gz LNADFAQOLRYORU-GOSISDBHSA-N 1 3 317.477 2.129 20 0 DEADHO CC[C@@H](C(=O)N(C)C1CC[NH+](CCCCCF)CC1)N(C)C ZINC001316933756 1147634325 /nfs/dbraw/zinc/63/43/25/1147634325.db2.gz NEZSJTRCGOPGQF-INIZCTEOSA-N 1 3 315.477 2.389 20 0 DEADHO C[C@@H](C[NH2+]CC1CCC2(CC2)CC1)N(C)C(=O)[C@@H]1CCCN1C ZINC001367362551 1147684265 /nfs/dbraw/zinc/68/42/65/1147684265.db2.gz UOTLEVRFFKWZEA-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[N@H+](C)Cc1ccc(C)cc1)N(C)C ZINC001367534207 1147710990 /nfs/dbraw/zinc/71/09/90/1147710990.db2.gz URHFPDCJAFXISW-KRWDZBQOSA-N 1 3 305.466 2.225 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)Cc1ccc(C)cc1)N(C)C ZINC001367534207 1147710991 /nfs/dbraw/zinc/71/09/91/1147710991.db2.gz URHFPDCJAFXISW-KRWDZBQOSA-N 1 3 305.466 2.225 20 0 DEADHO Cc1cc(C)cc(C[NH2+]C[C@@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001367678438 1147725762 /nfs/dbraw/zinc/72/57/62/1147725762.db2.gz ZYJGMRBPIIUDSY-MRXNPFEDSA-N 1 3 317.477 2.382 20 0 DEADHO C[C@H](CN[C@@H](C)c1ccc(F)c(F)c1)NC(=O)CC[NH+](C)C ZINC001367697804 1147728735 /nfs/dbraw/zinc/72/87/35/1147728735.db2.gz WFENDMYKTXBBDG-NEPJUHHUSA-N 1 3 313.392 2.072 20 0 DEADHO CN(CC[NH2+]CC1CCCCCC1)C(=O)CN(C)C1CCC1 ZINC001317595952 1147730700 /nfs/dbraw/zinc/73/07/00/1147730700.db2.gz MMKQXXDIXSWXKE-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO Cc1ccc(CN(C)C[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)cc1F ZINC001367861337 1147763166 /nfs/dbraw/zinc/76/31/66/1147763166.db2.gz ZACMTUYWBMWWEX-ZBFHGGJFSA-N 1 3 321.440 2.022 20 0 DEADHO Cc1ccc(CN(C)C[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)cc1F ZINC001367861337 1147763168 /nfs/dbraw/zinc/76/31/68/1147763168.db2.gz ZACMTUYWBMWWEX-ZBFHGGJFSA-N 1 3 321.440 2.022 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCC2CC2)[C@@H](CC)C1 ZINC001367942084 1147794217 /nfs/dbraw/zinc/79/42/17/1147794217.db2.gz OTYIHWCTRISYKB-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001368061538 1147845329 /nfs/dbraw/zinc/84/53/29/1147845329.db2.gz HDGOXOFSODLCPM-SFHVURJKSA-N 1 3 309.498 2.443 20 0 DEADHO CCCC[N@H+]1CCC[C@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001368061538 1147845330 /nfs/dbraw/zinc/84/53/30/1147845330.db2.gz HDGOXOFSODLCPM-SFHVURJKSA-N 1 3 309.498 2.443 20 0 DEADHO CC(C)=CC[NH2+]CC[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001326365655 1148086348 /nfs/dbraw/zinc/08/63/48/1148086348.db2.gz UDDOZPHNGAMUGI-IAGOWNOFSA-N 1 3 307.482 2.123 20 0 DEADHO C[C@@]1(C[NH2+]Cc2ccsc2)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001368198411 1148319628 /nfs/dbraw/zinc/31/96/28/1148319628.db2.gz PGKWKGKKESLDCD-INIZCTEOSA-N 1 3 318.446 2.042 20 0 DEADHO C[C@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)[C@@H]2C[C@H](C)CCN2)C1 ZINC000423729805 230540968 /nfs/dbraw/zinc/54/09/68/230540968.db2.gz OJBBXRSNMABKAW-XAJHFOFHSA-N 1 3 307.482 2.238 20 0 DEADHO C[C@H](Cn1cccn1)NCc1cccc(OCC[NH+](C)C)c1 ZINC000138116407 282098738 /nfs/dbraw/zinc/09/87/38/282098738.db2.gz FBFKPCLHHZMSDT-OAHLLOKOSA-N 1 3 302.422 2.002 20 0 DEADHO CN(C)CCOc1ccc(NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])cc1 ZINC000263308727 282110215 /nfs/dbraw/zinc/11/02/15/282110215.db2.gz YGBOGOCSSQEWBI-AEFFLSMTSA-N 1 3 319.449 2.473 20 0 DEADHO OC1(CN2C[C@@H]3C[NH2+]C[C@H]3C2)CCC(c2ccccc2)CC1 ZINC000625098203 365642834 /nfs/dbraw/zinc/64/28/34/365642834.db2.gz NVHCQUYPZRVDIB-YBXZHIRMSA-N 1 3 300.446 2.227 20 0 DEADHO CC[C@@H](C)N[C@@H](CNC(=O)NCC[C@H]1CCC[NH2+]1)c1ccco1 ZINC000418161390 529375351 /nfs/dbraw/zinc/37/53/51/529375351.db2.gz FDOULWYOOQXUQR-KFWWJZLASA-N 1 3 322.453 2.150 20 0 DEADHO CC[C@@H](C)N[C@@H](CNC(=O)NC1CCC([NH3+])CC1)c1ccco1 ZINC000418167247 529375524 /nfs/dbraw/zinc/37/55/24/529375524.db2.gz MGDQYHXWEOMZBL-URGYJCLVSA-N 1 3 322.453 2.278 20 0 DEADHO CN(C(=O)C[C@@H](c1ccccc1)[NH+](C)C)C1CCN(C)CC1 ZINC000433100339 282168601 /nfs/dbraw/zinc/16/86/01/282168601.db2.gz DFLXNEYEBREDMQ-KRWDZBQOSA-N 1 3 303.450 2.232 20 0 DEADHO CN1CCN(Cc2ccc(C[NH2+][C@H]3COC(C)(C)C3)cc2)CC1 ZINC000417874632 529774234 /nfs/dbraw/zinc/77/42/34/529774234.db2.gz PIXCJEWNPWTFJQ-GOSISDBHSA-N 1 3 317.477 2.091 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCN(C/C=C/Cl)CC1)[NH+](C)C ZINC001421838937 1172032995 /nfs/dbraw/zinc/03/29/95/1172032995.db2.gz YEKFLOLDUPSNMB-SIEMXDPISA-N 1 3 315.889 2.296 20 0 DEADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C[C@@H](N)c2ccccc2)C1 ZINC000448235528 529861630 /nfs/dbraw/zinc/86/16/30/529861630.db2.gz YJRHLFRIQZTFDZ-SJLPKXTDSA-N 1 3 315.461 2.267 20 0 DEADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C[C@@H](N)c2ccccc2)C1 ZINC000448235528 529861632 /nfs/dbraw/zinc/86/16/32/529861632.db2.gz YJRHLFRIQZTFDZ-SJLPKXTDSA-N 1 3 315.461 2.267 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NCC[N@H+](C)C1CCCC1 ZINC000448009971 529914755 /nfs/dbraw/zinc/91/47/55/529914755.db2.gz LOZRUGHXGGDAEA-INIZCTEOSA-N 1 3 324.513 2.280 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000448009971 529914756 /nfs/dbraw/zinc/91/47/56/529914756.db2.gz LOZRUGHXGGDAEA-INIZCTEOSA-N 1 3 324.513 2.280 20 0 DEADHO C[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000417814707 530000623 /nfs/dbraw/zinc/00/06/23/530000623.db2.gz QSNXPUXUWAHXDM-ZBFHGGJFSA-N 1 3 303.450 2.171 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000448258184 530048275 /nfs/dbraw/zinc/04/82/75/530048275.db2.gz UZDNYBLTTOVJOQ-HNNXBMFYSA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)[C@H](CNC(=O)NC[C@H]1CCCN1C)[NH+]1CCCCCC1 ZINC000195125250 282369208 /nfs/dbraw/zinc/36/92/08/282369208.db2.gz FOSBUVPCQXQHNS-SJORKVTESA-N 1 3 324.513 2.280 20 0 DEADHO COc1cccc(OC)c1CNCCCC[N@@H+]1CCC[C@H]1CO ZINC000286759294 219150748 /nfs/dbraw/zinc/15/07/48/219150748.db2.gz ZGALCADQHLTAIO-HNNXBMFYSA-N 1 3 322.449 2.030 20 0 DEADHO COc1cccc(OC)c1CNCCCC[N@H+]1CCC[C@H]1CO ZINC000286759294 219150750 /nfs/dbraw/zinc/15/07/50/219150750.db2.gz ZGALCADQHLTAIO-HNNXBMFYSA-N 1 3 322.449 2.030 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N[C@@H](C)C[NH+](C)C)c1ccccc1 ZINC000287017515 219271543 /nfs/dbraw/zinc/27/15/43/219271543.db2.gz HDMITCIWJCDPEP-RDJZCZTQSA-N 1 3 320.481 2.319 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000237046850 539741925 /nfs/dbraw/zinc/74/19/25/539741925.db2.gz LNYLOVSAYUQJCL-ZDUSSCGKSA-N 1 3 315.417 2.366 20 0 DEADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(OC(F)F)cc1 ZINC000268978079 282693439 /nfs/dbraw/zinc/69/34/39/282693439.db2.gz JUONCKJDLWYGJW-GFCCVEGCSA-N 1 3 314.376 2.395 20 0 DEADHO CCN1CCN(CCC[NH2+]Cc2ccc(C)c(OC)c2)CC1 ZINC000194238269 186271361 /nfs/dbraw/zinc/27/13/61/186271361.db2.gz GMQDGXRJZQYKSG-UHFFFAOYSA-N 1 3 305.466 2.121 20 0 DEADHO CCCN1CCC([NH2+]Cc2ccc(Cn3cncn3)cc2)CC1 ZINC000268744534 186375616 /nfs/dbraw/zinc/37/56/16/186375616.db2.gz HELABONVOSPMPD-UHFFFAOYSA-N 1 3 313.449 2.290 20 0 DEADHO CCCN1CCC([NH2+]Cc2ccccc2Cn2cncn2)CC1 ZINC000268754368 186379665 /nfs/dbraw/zinc/37/96/65/186379665.db2.gz JANWQDLXCPPNGV-UHFFFAOYSA-N 1 3 313.449 2.290 20 0 DEADHO C[C@@H]1CN(CC2CC[NH+](CCc3cccnc3)CC2)C[C@H](C)O1 ZINC000172076392 198035746 /nfs/dbraw/zinc/03/57/46/198035746.db2.gz AVPVDMFWGZMLLS-CALCHBBNSA-N 1 3 317.477 2.445 20 0 DEADHO CN(C)[C@H](CNC(=O)c1cccc2c1CC[NH2+]C2)c1ccccc1 ZINC000325950784 539907966 /nfs/dbraw/zinc/90/79/66/539907966.db2.gz DLCBCFJZEGHUJC-LJQANCHMSA-N 1 3 323.440 2.365 20 0 DEADHO CC(C)N1CCC([NH2+][C@H](C)C(=O)NCCc2cccs2)CC1 ZINC000173620366 198233853 /nfs/dbraw/zinc/23/38/53/198233853.db2.gz XYNOZWSFPKGXMP-CQSZACIVSA-N 1 3 323.506 2.258 20 0 DEADHO CN(C)CCOc1cccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339070292 539985580 /nfs/dbraw/zinc/98/55/80/539985580.db2.gz LJVZSXVGANIYST-ROUUACIJSA-N 1 3 317.477 2.343 20 0 DEADHO CN(C)CCOc1cccc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339070292 539985583 /nfs/dbraw/zinc/98/55/83/539985583.db2.gz LJVZSXVGANIYST-ROUUACIJSA-N 1 3 317.477 2.343 20 0 DEADHO CCC[NH+]1CCC(NC(=O)[C@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000236776227 202003245 /nfs/dbraw/zinc/00/32/45/202003245.db2.gz NAXANTIGPNFGJZ-RHSMWYFYSA-N 1 3 303.450 2.313 20 0 DEADHO CCCN(C(=O)NC[C@@H]1CCCCN1CC)C1CC[NH2+]CC1 ZINC000417582661 283005078 /nfs/dbraw/zinc/00/50/78/283005078.db2.gz IZZVZXCSZRHALP-INIZCTEOSA-N 1 3 310.486 2.034 20 0 DEADHO CC1CC[NH+](CCCNC(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000048190261 354344720 /nfs/dbraw/zinc/34/47/20/354344720.db2.gz HMHMOFITZLHDCJ-UHFFFAOYSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@H](CCN1CCC[C@](C)(O)CC1)[N@@H+]1CCC[C@](C)(O)CC1 ZINC000348379203 540021892 /nfs/dbraw/zinc/02/18/92/540021892.db2.gz UJQSSZHIZKOZOC-SQNIBIBYSA-N 1 3 312.498 2.239 20 0 DEADHO C[C@H](CCN1CCC[C@](C)(O)CC1)[N@H+]1CCC[C@](C)(O)CC1 ZINC000348379203 540021895 /nfs/dbraw/zinc/02/18/95/540021895.db2.gz UJQSSZHIZKOZOC-SQNIBIBYSA-N 1 3 312.498 2.239 20 0 DEADHO C[C@H](CC[N@@H+]1CCC[C@](C)(O)CC1)N1CCC[C@](C)(O)CC1 ZINC000348379203 540021897 /nfs/dbraw/zinc/02/18/97/540021897.db2.gz UJQSSZHIZKOZOC-SQNIBIBYSA-N 1 3 312.498 2.239 20 0 DEADHO C[C@H](CC[N@H+]1CCC[C@](C)(O)CC1)N1CCC[C@](C)(O)CC1 ZINC000348379203 540021900 /nfs/dbraw/zinc/02/19/00/540021900.db2.gz UJQSSZHIZKOZOC-SQNIBIBYSA-N 1 3 312.498 2.239 20 0 DEADHO C[C@@H](CC[NH+](C)C)NC[C@H](O)COCc1ccc(Cl)cc1 ZINC000049557527 354361513 /nfs/dbraw/zinc/36/15/13/354361513.db2.gz IFHUPYSEXUDYIW-BBRMVZONSA-N 1 3 314.857 2.147 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000060335677 354610608 /nfs/dbraw/zinc/61/06/08/354610608.db2.gz MAGSFNZNRAQMBM-VVLHAWIVSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000060335677 354610610 /nfs/dbraw/zinc/61/06/10/354610610.db2.gz MAGSFNZNRAQMBM-VVLHAWIVSA-N 1 3 309.498 2.343 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000075180966 355072046 /nfs/dbraw/zinc/07/20/46/355072046.db2.gz JKJJAQQEMZBYDX-QGZVFWFLSA-N 1 3 303.450 2.061 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000075180966 355072047 /nfs/dbraw/zinc/07/20/47/355072047.db2.gz JKJJAQQEMZBYDX-QGZVFWFLSA-N 1 3 303.450 2.061 20 0 DEADHO C[C@@H](C[NH3+])NC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000417213823 295896442 /nfs/dbraw/zinc/89/64/42/295896442.db2.gz JTXLDNWKJZAGPU-DOTOQJQBSA-N 1 3 318.465 2.106 20 0 DEADHO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cccc(CN)c3)CC[C@H]21 ZINC000387742373 540128701 /nfs/dbraw/zinc/12/87/01/540128701.db2.gz QIAQEKNHEJSTDT-GOEBONIOSA-N 1 3 302.422 2.093 20 0 DEADHO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cccc(CN)c3)CC[C@H]21 ZINC000387742373 540128706 /nfs/dbraw/zinc/12/87/06/540128706.db2.gz QIAQEKNHEJSTDT-GOEBONIOSA-N 1 3 302.422 2.093 20 0 DEADHO C[NH+](C)C1(CNC(=O)c2cccc3c2CCNC3)CCCCC1 ZINC000391538531 540136925 /nfs/dbraw/zinc/13/69/25/540136925.db2.gz WQQJLFQNACLXCR-UHFFFAOYSA-N 1 3 315.461 2.327 20 0 DEADHO CN(C(=O)/C=C/C[NH+](C)C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000080501872 355367631 /nfs/dbraw/zinc/36/76/31/355367631.db2.gz HPXFCAIBQLQROU-RXNMKEHESA-N 1 3 315.461 2.227 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)/C=C/CN(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000079952706 355338336 /nfs/dbraw/zinc/33/83/36/355338336.db2.gz RDDCBKNEOZRMMK-XMIMXHRVSA-N 1 3 315.461 2.274 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)/C=C/CN(C)C)CC[N@H+]1Cc1ccccc1 ZINC000079952706 355338340 /nfs/dbraw/zinc/33/83/40/355338340.db2.gz RDDCBKNEOZRMMK-XMIMXHRVSA-N 1 3 315.461 2.274 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)/C=C/CN(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000079952708 355338677 /nfs/dbraw/zinc/33/86/77/355338677.db2.gz RDDCBKNEOZRMMK-IGHXGINGSA-N 1 3 315.461 2.274 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)/C=C/CN(C)C)CC[N@H+]1Cc1ccccc1 ZINC000079952708 355338680 /nfs/dbraw/zinc/33/86/80/355338680.db2.gz RDDCBKNEOZRMMK-IGHXGINGSA-N 1 3 315.461 2.274 20 0 DEADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCOc1ccc(C(F)(F)F)cn1 ZINC000090409639 355561410 /nfs/dbraw/zinc/56/14/10/355561410.db2.gz NUVFCNFBTXFGHT-AAEUAGOBSA-N 1 3 317.355 2.409 20 0 DEADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCOc1ccc(C(F)(F)F)cn1 ZINC000090409639 355561412 /nfs/dbraw/zinc/56/14/12/355561412.db2.gz NUVFCNFBTXFGHT-AAEUAGOBSA-N 1 3 317.355 2.409 20 0 DEADHO COc1ccc2c(c1)OC[C@H](N[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)C2 ZINC000090964951 355570039 /nfs/dbraw/zinc/57/00/39/355570039.db2.gz WLMHDFIJTVMGMR-IARIHHJXSA-N 1 3 304.434 2.317 20 0 DEADHO COc1ccc2c(c1)OC[C@H](N[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)C2 ZINC000090964951 355570042 /nfs/dbraw/zinc/57/00/42/355570042.db2.gz WLMHDFIJTVMGMR-IARIHHJXSA-N 1 3 304.434 2.317 20 0 DEADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000447963597 540186911 /nfs/dbraw/zinc/18/69/11/540186911.db2.gz NOWHOUVFJRUGJD-CABCVRRESA-N 1 3 312.502 2.136 20 0 DEADHO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000447963600 540186861 /nfs/dbraw/zinc/18/68/61/540186861.db2.gz NOWHOUVFJRUGJD-LSDHHAIUSA-N 1 3 312.502 2.136 20 0 DEADHO CC[NH+](CC)C[C@H](C)NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000447333545 540186325 /nfs/dbraw/zinc/18/63/25/540186325.db2.gz NNAWLFHVHDUKJW-HNNXBMFYSA-N 1 3 324.469 2.083 20 0 DEADHO Cc1ccc(C)c(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000119647198 355786775 /nfs/dbraw/zinc/78/67/75/355786775.db2.gz FBYAMOORXZJTFE-UHFFFAOYSA-N 1 3 306.454 2.261 20 0 DEADHO CCO[C@H]1C[C@@H]([NH2+]CCCCN2CCN(CC)CC2)C1(C)C ZINC000181493207 356083143 /nfs/dbraw/zinc/08/31/43/356083143.db2.gz YRPDTQUSWRIKNE-SJORKVTESA-N 1 3 311.514 2.197 20 0 DEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000212979721 356270804 /nfs/dbraw/zinc/27/08/04/356270804.db2.gz KTKLIIPBDFRWJV-UFYCRDLUSA-N 1 3 310.441 2.407 20 0 DEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000212979721 356270805 /nfs/dbraw/zinc/27/08/05/356270805.db2.gz KTKLIIPBDFRWJV-UFYCRDLUSA-N 1 3 310.441 2.407 20 0 DEADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@H](c2ccccc2)C1 ZINC000212979721 356270807 /nfs/dbraw/zinc/27/08/07/356270807.db2.gz KTKLIIPBDFRWJV-UFYCRDLUSA-N 1 3 310.441 2.407 20 0 DEADHO CN1CCCN(CCC[NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000237171443 356295228 /nfs/dbraw/zinc/29/52/28/356295228.db2.gz TZQWZNKJJDXOMR-UHFFFAOYSA-N 1 3 300.450 2.285 20 0 DEADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CNC2CC2)cc1 ZINC000237524169 356298314 /nfs/dbraw/zinc/29/83/14/356298314.db2.gz NJXJZYHKIABPQX-HNNXBMFYSA-N 1 3 315.461 2.429 20 0 DEADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CNC2CC2)cc1 ZINC000237524169 356298316 /nfs/dbraw/zinc/29/83/16/356298316.db2.gz NJXJZYHKIABPQX-HNNXBMFYSA-N 1 3 315.461 2.429 20 0 DEADHO C[C@H]1CCCN(CCNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000237497987 356298407 /nfs/dbraw/zinc/29/84/07/356298407.db2.gz ZZZKZDSYXHNSOW-DOTOQJQBSA-N 1 3 303.450 2.315 20 0 DEADHO CC(C)[NH2+]CCC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000316139190 356427627 /nfs/dbraw/zinc/42/76/27/356427627.db2.gz QFXCFVWTVOSIIW-KRWDZBQOSA-N 1 3 303.450 2.328 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)CN[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000316705986 356430591 /nfs/dbraw/zinc/43/05/91/356430591.db2.gz CQQKNUHWGDBPLI-BRWVUGGUSA-N 1 3 306.450 2.115 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000316705986 356430593 /nfs/dbraw/zinc/43/05/93/356430593.db2.gz CQQKNUHWGDBPLI-BRWVUGGUSA-N 1 3 306.450 2.115 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000462634376 283175232 /nfs/dbraw/zinc/17/52/32/283175232.db2.gz YFIFKFVCFRNDIX-ARFHVFGLSA-N 1 3 312.502 2.088 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000462634376 283175234 /nfs/dbraw/zinc/17/52/34/283175234.db2.gz YFIFKFVCFRNDIX-ARFHVFGLSA-N 1 3 312.502 2.088 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000360888739 283182373 /nfs/dbraw/zinc/18/23/73/283182373.db2.gz ONPABSDVEQDYBG-BBWFWOEESA-N 1 3 324.513 2.233 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000360888739 283182376 /nfs/dbraw/zinc/18/23/76/283182376.db2.gz ONPABSDVEQDYBG-BBWFWOEESA-N 1 3 324.513 2.233 20 0 DEADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@@H](N)C(C)C ZINC000236872688 202047051 /nfs/dbraw/zinc/04/70/51/202047051.db2.gz GGOYUAMNRZKAAZ-KRWDZBQOSA-N 1 3 321.465 2.007 20 0 DEADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](N)CCSC ZINC000236907538 202065567 /nfs/dbraw/zinc/06/55/67/202065567.db2.gz VLBBYOKBILXHQJ-INIZCTEOSA-N 1 3 323.506 2.225 20 0 DEADHO CCC[C@H](N)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000236954038 202091438 /nfs/dbraw/zinc/09/14/38/202091438.db2.gz YEKGZFBLBQJMKT-HNNXBMFYSA-N 1 3 302.422 2.269 20 0 DEADHO CN(C)C[C@@H](NC(=O)C[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423771360 283200512 /nfs/dbraw/zinc/20/05/12/283200512.db2.gz JDZCMBOYXQEXSU-HUUCEWRRSA-N 1 3 309.841 2.201 20 0 DEADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)CN(C)C ZINC000381886105 356672929 /nfs/dbraw/zinc/67/29/29/356672929.db2.gz QFRVBVRHAOYQPA-RBSFLKMASA-N 1 3 313.486 2.467 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CC[NH2+]C1CC1 ZINC000382767864 356677904 /nfs/dbraw/zinc/67/79/04/356677904.db2.gz YESOUVGNAAOGOW-MRXNPFEDSA-N 1 3 315.461 2.252 20 0 DEADHO C[C@H]1C[N@H+](C)CC[C@H]1NCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000382834919 356678121 /nfs/dbraw/zinc/67/81/21/356678121.db2.gz MXIHHSGURVKICA-GOEBONIOSA-N 1 3 323.481 2.483 20 0 DEADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000382834919 356678126 /nfs/dbraw/zinc/67/81/26/356678126.db2.gz MXIHHSGURVKICA-GOEBONIOSA-N 1 3 323.481 2.483 20 0 DEADHO CN(CCCNC(=O)[C@]1(C)CCC[NH2+]C1)Cc1ccccc1 ZINC000237073550 202144743 /nfs/dbraw/zinc/14/47/43/202144743.db2.gz JFCTZGJOJFOWSJ-GOSISDBHSA-N 1 3 303.450 2.014 20 0 DEADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000390755623 356710052 /nfs/dbraw/zinc/71/00/52/356710052.db2.gz VSMTWPBBGWFADY-IRXDYDNUSA-N 1 3 317.477 2.403 20 0 DEADHO CCN1CCC(N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000579373221 356966358 /nfs/dbraw/zinc/96/63/58/356966358.db2.gz YDXSUHHQTZTXOQ-UHFFFAOYSA-N 1 3 317.477 2.347 20 0 DEADHO CN[C@@H](C)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000579258428 356948965 /nfs/dbraw/zinc/94/89/65/356948965.db2.gz MQLWQODPIQYXCF-GJZGRUSLSA-N 1 3 303.450 2.374 20 0 DEADHO CN(C[C@H](O)CNc1ccc(CC[NH+]2CCCC2)cc1)C1CC1 ZINC000579703956 357016926 /nfs/dbraw/zinc/01/69/26/357016926.db2.gz NVMWFDHIIZHWKD-LJQANCHMSA-N 1 3 317.477 2.192 20 0 DEADHO C[NH+](C)Cc1cccc(CNC[C@H](O)COCc2ccco2)c1 ZINC000581483487 357194907 /nfs/dbraw/zinc/19/49/07/357194907.db2.gz QBRXKDSYKQSAFB-KRWDZBQOSA-N 1 3 318.417 2.009 20 0 DEADHO CN(C)Cc1cccc(C[NH2+]C[C@H](O)COCc2ccco2)c1 ZINC000581483487 357194911 /nfs/dbraw/zinc/19/49/11/357194911.db2.gz QBRXKDSYKQSAFB-KRWDZBQOSA-N 1 3 318.417 2.009 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC(C)(C)C1=CCCC1 ZINC000581869793 357258056 /nfs/dbraw/zinc/25/80/56/357258056.db2.gz JGRSQMPOCHSITN-UHFFFAOYSA-N 1 3 324.513 2.258 20 0 DEADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000584834038 357318046 /nfs/dbraw/zinc/31/80/46/357318046.db2.gz NRRXTUOMUCLPGW-IAGOWNOFSA-N 1 3 309.498 2.129 20 0 DEADHO CCOC(=O)C1([C@H](C)NCc2cc(C(C)C)no2)CC[NH2+]CC1 ZINC000591567841 357736545 /nfs/dbraw/zinc/73/65/45/357736545.db2.gz WHXAIFPMMFOBSK-ZDUSSCGKSA-N 1 3 323.437 2.209 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N2CCN(C3CC3)C[C@H](C)C2)CC1 ZINC000452162748 283285782 /nfs/dbraw/zinc/28/57/82/283285782.db2.gz ITAAHKQMKBAFSB-HNNXBMFYSA-N 1 3 307.482 2.050 20 0 DEADHO C[C@@H]1CN(CCOCC2CCCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000459366640 283299357 /nfs/dbraw/zinc/29/93/57/283299357.db2.gz CWOITZUNOOEDQS-IEBWSBKVSA-N 1 3 323.525 2.151 20 0 DEADHO C[C@H](NC1CC[NH+](C2CCN(C)CC2)CC1)c1ccccn1 ZINC000179468211 199041160 /nfs/dbraw/zinc/04/11/60/199041160.db2.gz UGAQJHOPVDWJAA-HNNXBMFYSA-N 1 3 302.466 2.291 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@H]2[NH2+]CCC2(C)C)N(C)C)cc1 ZINC000662689071 540333414 /nfs/dbraw/zinc/33/34/14/540333414.db2.gz DKSXYLLZBJVULC-HZPDHXFCSA-N 1 3 303.450 2.102 20 0 DEADHO NCc1cn([C@H]2CCC[N@H+](Cc3nccc4ccccc43)C2)nn1 ZINC000667040475 540384510 /nfs/dbraw/zinc/38/45/10/540384510.db2.gz SSUZHEAFRZYSPJ-INIZCTEOSA-N 1 3 322.416 2.122 20 0 DEADHO NCc1cn([C@H]2CCC[N@@H+](Cc3nccc4ccccc43)C2)nn1 ZINC000667040475 540384513 /nfs/dbraw/zinc/38/45/13/540384513.db2.gz SSUZHEAFRZYSPJ-INIZCTEOSA-N 1 3 322.416 2.122 20 0 DEADHO CC[NH+](CC)CCSCC(=O)N(C)CCN1CCCCC1 ZINC000593884822 358165119 /nfs/dbraw/zinc/16/51/19/358165119.db2.gz XKPRMHGPBNIEOQ-UHFFFAOYSA-N 1 3 315.527 2.006 20 0 DEADHO C[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000237373165 202246295 /nfs/dbraw/zinc/24/62/95/202246295.db2.gz ASTRPVKPPVEEST-KBAYOESNSA-N 1 3 315.461 2.237 20 0 DEADHO C[C@@H](NC(C)(C)CNC(=O)[C@]1(C)CC[NH2+]C1)c1ccccc1 ZINC000237384548 202250394 /nfs/dbraw/zinc/25/03/94/202250394.db2.gz ZQFSTCKNIUEGNE-RDTXWAMCSA-N 1 3 303.450 2.232 20 0 DEADHO COC(=O)c1cc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)c[nH]1 ZINC000594735202 358328837 /nfs/dbraw/zinc/32/88/37/358328837.db2.gz HRUUMPIZQOXGCC-HNNXBMFYSA-N 1 3 305.422 2.013 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)N1CCCCC1 ZINC000594695187 358320211 /nfs/dbraw/zinc/32/02/11/358320211.db2.gz MUFLTYZODCVOTO-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCCCC1 ZINC000594695187 358320216 /nfs/dbraw/zinc/32/02/16/358320216.db2.gz MUFLTYZODCVOTO-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](C(=O)NCCC1CC[NH+](C)CC1)[C@@H](N)c1ccccc1 ZINC000237432150 202263787 /nfs/dbraw/zinc/26/37/87/202263787.db2.gz MLGQBHSRQSZSDD-WMLDXEAASA-N 1 3 303.450 2.171 20 0 DEADHO C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CCN(CC3CC3)C2)cc1 ZINC000667843260 540538068 /nfs/dbraw/zinc/53/80/68/540538068.db2.gz DFRFCUVETQCLBM-MRXNPFEDSA-N 1 3 302.422 2.012 20 0 DEADHO c1cc(N2CCC(C[NH2+][C@@H]3CO[C@H](C4CC4)C3)CC2)ccn1 ZINC000667923510 540550888 /nfs/dbraw/zinc/55/08/88/540550888.db2.gz OLVOWUXPSYTJQR-WMZOPIPTSA-N 1 3 301.434 2.455 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)[C@]1(C)CC[NH2+]C1)c1ccccc1 ZINC000237511872 202266473 /nfs/dbraw/zinc/26/64/73/202266473.db2.gz ZQFSTCKNIUEGNE-KBXCAEBGSA-N 1 3 303.450 2.232 20 0 DEADHO C[C@@H](CCNC(=O)[C@H]1CCCCN1)[N@H+](C)Cc1ccccc1 ZINC000237562179 202284327 /nfs/dbraw/zinc/28/43/27/202284327.db2.gz IMXMZMYUYVWAAZ-DOTOQJQBSA-N 1 3 303.450 2.155 20 0 DEADHO C[C@@H](CCNC(=O)[C@H]1CCCCN1)[N@@H+](C)Cc1ccccc1 ZINC000237562179 202284330 /nfs/dbraw/zinc/28/43/30/202284330.db2.gz IMXMZMYUYVWAAZ-DOTOQJQBSA-N 1 3 303.450 2.155 20 0 DEADHO C[C@]1(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CCC[NH2+]C1 ZINC000237562210 202285175 /nfs/dbraw/zinc/28/51/75/202285175.db2.gz ZRJBSINTNINQSB-HKUYNNGSSA-N 1 3 315.461 2.157 20 0 DEADHO C[C@@H](C(=O)NCC[N@H+](C)C1CCCC1)[C@@H](N)c1ccccc1 ZINC000237608068 202302790 /nfs/dbraw/zinc/30/27/90/202302790.db2.gz LHMCBCYSMDTYKX-RHSMWYFYSA-N 1 3 303.450 2.313 20 0 DEADHO C[C@@H](C(=O)NCC[N@@H+](C)C1CCCC1)[C@@H](N)c1ccccc1 ZINC000237608068 202302794 /nfs/dbraw/zinc/30/27/94/202302794.db2.gz LHMCBCYSMDTYKX-RHSMWYFYSA-N 1 3 303.450 2.313 20 0 DEADHO N[C@H](CC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000237832986 202365711 /nfs/dbraw/zinc/36/57/11/202365711.db2.gz FOSUMCIPEGTTML-DLBZAZTESA-N 1 3 301.434 2.163 20 0 DEADHO NC1(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000237930429 202394257 /nfs/dbraw/zinc/39/42/57/202394257.db2.gz ATOWOAOWPSNWNE-UHFFFAOYSA-N 1 3 301.434 2.170 20 0 DEADHO Cc1ccccc1C[C@@H](C)NC(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000443062951 238101138 /nfs/dbraw/zinc/10/11/38/238101138.db2.gz YFAKBVIRIGNAOZ-SJORKVTESA-N 1 3 317.477 2.103 20 0 DEADHO C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443061161 238101204 /nfs/dbraw/zinc/10/12/04/238101204.db2.gz RALKLNAQFTXWIR-HIFRSBDPSA-N 1 3 323.868 2.406 20 0 DEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000449329289 240364312 /nfs/dbraw/zinc/36/43/12/240364312.db2.gz NDZLLVYGCRINDG-SQNIBIBYSA-N 1 3 317.477 2.183 20 0 DEADHO C[C@@H](Cc1ccoc1)NCc1ccncc1OCC[NH+](C)C ZINC000449329865 240364522 /nfs/dbraw/zinc/36/45/22/240364522.db2.gz QEWSAYBPURQVBB-AWEZNQCLSA-N 1 3 303.406 2.336 20 0 DEADHO C[C@@H]([NH3+])CNC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000669402615 540826247 /nfs/dbraw/zinc/82/62/47/540826247.db2.gz RNVCOEOCNYHHTF-WBVHZDCISA-N 1 3 318.465 2.106 20 0 DEADHO [NH3+][C@@H](CCC(=O)Nc1cnc2c(c1)CNCC2)c1ccccc1 ZINC000669513326 540849764 /nfs/dbraw/zinc/84/97/64/540849764.db2.gz BCBMPLWQLXFWFV-INIZCTEOSA-N 1 3 310.401 2.146 20 0 DEADHO CC[C@@H](CN1CCCC1)NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000669529170 540853125 /nfs/dbraw/zinc/85/31/25/540853125.db2.gz GYDPNZLIQFTVET-KRWDZBQOSA-N 1 3 324.513 2.411 20 0 DEADHO C[C@@H]([NH3+])[C@H](C)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000192110711 200821160 /nfs/dbraw/zinc/82/11/60/200821160.db2.gz JJWRLCVGJKNYMH-LSDHHAIUSA-N 1 3 303.450 2.093 20 0 DEADHO Cn1cc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)c(-c2ccncc2)n1 ZINC000292794711 223249152 /nfs/dbraw/zinc/24/91/52/223249152.db2.gz MUBFRSJDDYSURP-GOSISDBHSA-N 1 3 311.433 2.010 20 0 DEADHO Cn1cc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)c(-c2ccncc2)n1 ZINC000292794711 223249155 /nfs/dbraw/zinc/24/91/55/223249155.db2.gz MUBFRSJDDYSURP-GOSISDBHSA-N 1 3 311.433 2.010 20 0 DEADHO C[C@H]([NH3+])CCC(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000193303588 201023831 /nfs/dbraw/zinc/02/38/31/201023831.db2.gz PVZDFSKSCUTPFD-NSHDSACASA-N 1 3 313.829 2.346 20 0 DEADHO C[C@H](NC(=O)N[C@@H]1CCCN(C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000672754211 541060591 /nfs/dbraw/zinc/06/05/91/541060591.db2.gz SOFFGCPQLYTCPJ-USXIJHARSA-N 1 3 318.465 2.071 20 0 DEADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCCn2cncn2)CC1 ZINC000628213251 366770142 /nfs/dbraw/zinc/77/01/42/366770142.db2.gz DCLFIBLIXMWCON-RDJZCZTQSA-N 1 3 305.470 2.301 20 0 DEADHO C[C@H]1CCCC[C@@H]1N1CCC([NH2+]CCCn2cncn2)CC1 ZINC000628213251 366770148 /nfs/dbraw/zinc/77/01/48/366770148.db2.gz DCLFIBLIXMWCON-RDJZCZTQSA-N 1 3 305.470 2.301 20 0 DEADHO CN1CCC(O)(C[NH2+]CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628218858 366771505 /nfs/dbraw/zinc/77/15/05/366771505.db2.gz SQJMKDMMSGMFIB-UHFFFAOYSA-N 1 3 316.367 2.294 20 0 DEADHO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc2c(c1)CNC2 ZINC000415988251 291282993 /nfs/dbraw/zinc/28/29/93/291282993.db2.gz CEOSXLIGSMYSRQ-GUYCJALGSA-N 1 3 314.433 2.380 20 0 DEADHO CO[C@@H]1CCC[C@@H](NCc2ccncc2OCCC[NH+](C)C)C1 ZINC000673852069 541150842 /nfs/dbraw/zinc/15/08/42/541150842.db2.gz ZZXUNUOWZZRPDI-IAGOWNOFSA-N 1 3 321.465 2.459 20 0 DEADHO CN1CCC[C@@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000673876680 541154700 /nfs/dbraw/zinc/15/47/00/541154700.db2.gz SKFHBRCYSXRNCS-MRXNPFEDSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@H](CNC(=O)NC[C@H]1N(C)CCCC1(C)C)C[NH+]1CCCC1 ZINC000447951689 239176754 /nfs/dbraw/zinc/17/67/54/239176754.db2.gz NKFCQJWJLHQOSS-HZPDHXFCSA-N 1 3 324.513 2.138 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000675194525 541299767 /nfs/dbraw/zinc/29/97/67/541299767.db2.gz SENLRZCZVIBHOE-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000675194525 541299771 /nfs/dbraw/zinc/29/97/71/541299771.db2.gz SENLRZCZVIBHOE-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000620931604 364206244 /nfs/dbraw/zinc/20/62/44/364206244.db2.gz JABIYUIQZCHPEA-HUUCEWRRSA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)Cc1cccc(CNC(=O)CC[C@H]2CCC[NH2+]C2)c1 ZINC000621641551 364485303 /nfs/dbraw/zinc/48/53/03/364485303.db2.gz NZZDBWXDAXZTLI-OAHLLOKOSA-N 1 3 303.450 2.144 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1CC(C)C1 ZINC000621573616 364460112 /nfs/dbraw/zinc/46/01/12/364460112.db2.gz FXLKGOYBSOWWTK-OFLPRAFFSA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1CC(C)C1 ZINC000621573616 364460114 /nfs/dbraw/zinc/46/01/14/364460114.db2.gz FXLKGOYBSOWWTK-OFLPRAFFSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H]1CC[N@H+](Cc2ccc(OCCN(C)C)cc2)C[C@@H]1CO ZINC000621737612 364532569 /nfs/dbraw/zinc/53/25/69/364532569.db2.gz TWXCHZQWKUBGST-NVXWUHKLSA-N 1 3 306.450 2.077 20 0 DEADHO C[C@@H]1CC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C[C@@H]1CO ZINC000621737612 364532574 /nfs/dbraw/zinc/53/25/74/364532574.db2.gz TWXCHZQWKUBGST-NVXWUHKLSA-N 1 3 306.450 2.077 20 0 DEADHO C[C@@H]1C[C@@H](NCCNC(=O)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000675780141 541381653 /nfs/dbraw/zinc/38/16/53/541381653.db2.gz CCZSGVFITZROBY-DOMZBBRYSA-N 1 3 309.841 2.142 20 0 DEADHO C[C@@H]1C[C@@H](NCCNC(=O)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000675780141 541381655 /nfs/dbraw/zinc/38/16/55/541381655.db2.gz CCZSGVFITZROBY-DOMZBBRYSA-N 1 3 309.841 2.142 20 0 DEADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1cccc(CN(C)C)c1 ZINC000623054338 364869578 /nfs/dbraw/zinc/86/95/78/364869578.db2.gz KFASAMLPXUIFQW-CJNGLKHVSA-N 1 3 304.438 2.482 20 0 DEADHO CN(C)Cc1cccc(NC(=O)NCCC2CC[NH2+]CC2)c1 ZINC000623057883 364870835 /nfs/dbraw/zinc/87/08/35/364870835.db2.gz JVVSHCQBCJAVSG-UHFFFAOYSA-N 1 3 304.438 2.259 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+][C@H]2CCN(CC3CC3)C2)[C@@H](C)C1 ZINC000675833698 541389610 /nfs/dbraw/zinc/38/96/10/541389610.db2.gz NHHAEPYHWWEADY-WDSOQIARSA-N 1 3 323.525 2.197 20 0 DEADHO C[C@@H](NC1CC1)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000449118926 240077709 /nfs/dbraw/zinc/07/77/09/240077709.db2.gz UZXQHNDJAKOHFD-HZPDHXFCSA-N 1 3 307.482 2.242 20 0 DEADHO COc1cc(F)cc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000449196368 240178014 /nfs/dbraw/zinc/17/80/14/240178014.db2.gz YEHMKEPJOYCRTH-QZTJIDSGSA-N 1 3 322.424 2.302 20 0 DEADHO C[N@@H+]1CCCC[C@H](CNC(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000624316385 365377649 /nfs/dbraw/zinc/37/76/49/365377649.db2.gz OWBNVGMPCOCPLH-IXDOHACOSA-N 1 3 322.497 2.034 20 0 DEADHO C[N@H+]1CCCC[C@H](CNC(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000624316385 365377656 /nfs/dbraw/zinc/37/76/56/365377656.db2.gz OWBNVGMPCOCPLH-IXDOHACOSA-N 1 3 322.497 2.034 20 0 DEADHO COc1ccc2c(c1)CCC[C@H]2CNC[C@H](O)C[NH+]1CCCC1 ZINC000629574108 367256784 /nfs/dbraw/zinc/25/67/84/367256784.db2.gz LQWYNIVJYHFQKH-IRXDYDNUSA-N 1 3 318.461 2.161 20 0 DEADHO Cc1c(Br)cccc1CN(C)CCOCC[NH3+] ZINC000629577378 367257556 /nfs/dbraw/zinc/25/75/56/367257556.db2.gz HANBWUKVHHSWOH-UHFFFAOYSA-N 1 3 301.228 2.165 20 0 DEADHO O[C@H](C[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl)CN1CCCC1 ZINC000629578713 367258802 /nfs/dbraw/zinc/25/88/02/367258802.db2.gz LZFORNYGLRCMOL-LALPHHSUSA-N 1 3 312.816 2.381 20 0 DEADHO C[C@H](c1cccc(Br)c1)N(C)CCOCC[NH3+] ZINC000629580457 367260393 /nfs/dbraw/zinc/26/03/93/367260393.db2.gz CKQCPRVVGGCFCQ-LLVKDONJSA-N 1 3 301.228 2.417 20 0 DEADHO CNCC(=O)Nc1ccc(-c2ccc(CC[NH+](C)C)cc2)cn1 ZINC000629732309 367318888 /nfs/dbraw/zinc/31/88/88/367318888.db2.gz TYYCDGDCSWFBCF-UHFFFAOYSA-N 1 3 312.417 2.011 20 0 DEADHO CN(CC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)C1CCC1 ZINC000629973274 367410767 /nfs/dbraw/zinc/41/07/67/367410767.db2.gz MWOWSIWNSXEZLR-UHFFFAOYSA-N 1 3 321.440 2.200 20 0 DEADHO C[NH+](C)CCOc1ccc(CNC[C@](C)(O)C(F)(F)F)cc1 ZINC000677662360 541613302 /nfs/dbraw/zinc/61/33/02/541613302.db2.gz KAHDOVNDTVCKNT-AWEZNQCLSA-N 1 3 320.355 2.030 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000630578098 367735893 /nfs/dbraw/zinc/73/58/93/367735893.db2.gz GRTCJVGUCSEJJE-OAHLLOKOSA-N 1 3 302.422 2.154 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H]2CCCc3ncccc32)CC1 ZINC000631565859 368289990 /nfs/dbraw/zinc/28/99/90/368289990.db2.gz JTSSHGOXBCRYSE-SFHVURJKSA-N 1 3 302.466 2.076 20 0 DEADHO C[C@H](Cn1cncn1)[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000631661604 368331112 /nfs/dbraw/zinc/33/11/12/368331112.db2.gz ADBAJFZNGHODAH-JFIYKMOQSA-N 1 3 313.449 2.024 20 0 DEADHO C[C@H](Cn1cncn1)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631661604 368331122 /nfs/dbraw/zinc/33/11/22/368331122.db2.gz ADBAJFZNGHODAH-JFIYKMOQSA-N 1 3 313.449 2.024 20 0 DEADHO C[C@H](Cn1cncn1)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631661604 368331127 /nfs/dbraw/zinc/33/11/27/368331127.db2.gz ADBAJFZNGHODAH-JFIYKMOQSA-N 1 3 313.449 2.024 20 0 DEADHO C[C@H](N[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)[C@H](C)N1CCOCC1 ZINC000415085651 299388490 /nfs/dbraw/zinc/38/84/90/299388490.db2.gz SWICSYUULQTBRF-RNIPGJKVSA-N 1 3 317.477 2.179 20 0 DEADHO CC[N@@H+](Cc1ccc(OCCN(C)C)cc1)C[C@H]1CCOC1 ZINC000678152286 541686211 /nfs/dbraw/zinc/68/62/11/541686211.db2.gz ZHFFCJBTDSNNIN-QGZVFWFLSA-N 1 3 306.450 2.485 20 0 DEADHO CC[N@H+](Cc1ccc(OCCN(C)C)cc1)C[C@H]1CCOC1 ZINC000678152286 541686215 /nfs/dbraw/zinc/68/62/15/541686215.db2.gz ZHFFCJBTDSNNIN-QGZVFWFLSA-N 1 3 306.450 2.485 20 0 DEADHO [NH3+]C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000261535158 203076214 /nfs/dbraw/zinc/07/62/14/203076214.db2.gz PIRSGVNSVOUSED-RTBURBONSA-N 1 3 323.440 2.120 20 0 DEADHO O=C(CCC1CC[NH2+]CC1)Nc1ccc2c(c1F)CCNC2 ZINC000261702680 203097138 /nfs/dbraw/zinc/09/71/38/203097138.db2.gz JUOJKUNHRANVHU-UHFFFAOYSA-N 1 3 305.397 2.190 20 0 DEADHO O=C(CC[C@H]1CC[NH2+]C1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000261803194 203120587 /nfs/dbraw/zinc/12/05/87/203120587.db2.gz FUZCEGDLPCUVTP-WMZOPIPTSA-N 1 3 315.461 2.329 20 0 DEADHO NC[C@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000261820274 203123991 /nfs/dbraw/zinc/12/39/91/203123991.db2.gz WNNCYXRVCJBUMA-SFHVURJKSA-N 1 3 315.461 2.206 20 0 DEADHO CCC[C@@](C)([NH3+])C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000262170957 203218418 /nfs/dbraw/zinc/21/84/18/203218418.db2.gz XGDSTPKNQZSJEG-LJQANCHMSA-N 1 3 317.477 2.457 20 0 DEADHO CCC[C@](C)([NH3+])C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000262303342 203254314 /nfs/dbraw/zinc/25/43/14/203254314.db2.gz LLGCKNNWIJNTFK-AEFFLSMTSA-N 1 3 305.466 2.485 20 0 DEADHO c1ccc2nc(N3CCN(CC4CC[NH2+]CC4)CC3)ccc2c1 ZINC000262309399 203256854 /nfs/dbraw/zinc/25/68/54/203256854.db2.gz YUQWLEBCJIKYBI-UHFFFAOYSA-N 1 3 310.445 2.356 20 0 DEADHO CN(C(=O)C[NH2+]CC1CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000262616080 203350924 /nfs/dbraw/zinc/35/09/24/203350924.db2.gz CVIHNWJDEYYPCV-SFHVURJKSA-N 1 3 315.461 2.109 20 0 DEADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000295042015 284328837 /nfs/dbraw/zinc/32/88/37/284328837.db2.gz OVICYZGCLACXBY-RCBQFDQVSA-N 1 3 315.417 2.028 20 0 DEADHO COCCN(CCO)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411215329 227362356 /nfs/dbraw/zinc/36/23/56/227362356.db2.gz HKXAWYIFGSVYCU-UHFFFAOYSA-N 1 3 306.450 2.113 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000267495586 206105757 /nfs/dbraw/zinc/10/57/57/206105757.db2.gz XBNAKYVINWPKFD-SJLPKXTDSA-N 1 3 317.477 2.355 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000267495586 206105761 /nfs/dbraw/zinc/10/57/61/206105761.db2.gz XBNAKYVINWPKFD-SJLPKXTDSA-N 1 3 317.477 2.355 20 0 DEADHO C[C@H](CNC(=O)NCC[C@H]1CCC[N@H+](C)C1)N1CCC(C)CC1 ZINC000458057814 248131387 /nfs/dbraw/zinc/13/13/87/248131387.db2.gz YQHQNMGYJYEHQC-IAGOWNOFSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1)N1CCC(C)CC1 ZINC000458057814 248131389 /nfs/dbraw/zinc/13/13/89/248131389.db2.gz YQHQNMGYJYEHQC-IAGOWNOFSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H]1[C@H](C)N(C)CCN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000681490941 542155935 /nfs/dbraw/zinc/15/59/35/542155935.db2.gz FPEKEVOAFAHOQL-JKSUJKDBSA-N 1 3 305.466 2.151 20 0 DEADHO CN(C)C/C=C/C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000492369938 249049773 /nfs/dbraw/zinc/04/97/73/249049773.db2.gz WZDFAVOSEQFZSH-VMPITWQZSA-N 1 3 301.434 2.380 20 0 DEADHO CN(C)C/C=C/C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000492369938 249049776 /nfs/dbraw/zinc/04/97/76/249049776.db2.gz WZDFAVOSEQFZSH-VMPITWQZSA-N 1 3 301.434 2.380 20 0 DEADHO C[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)C1CCSCC1 ZINC000681738834 542198163 /nfs/dbraw/zinc/19/81/63/542198163.db2.gz OHFISQWCKHVJOG-HOCLYGCPSA-N 1 3 311.539 2.276 20 0 DEADHO CN(C)CCOc1cccc(NC(=O)[C@@H]2CCCCC[NH2+]2)c1 ZINC000315364423 291696382 /nfs/dbraw/zinc/69/63/82/291696382.db2.gz LURNYZUIJNMXID-INIZCTEOSA-N 1 3 305.422 2.098 20 0 DEADHO O=C(C[C@@H]1CCC[NH2+]C1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000320125590 291704214 /nfs/dbraw/zinc/70/42/14/291704214.db2.gz JNMZGSGHXWNRNG-WMZOPIPTSA-N 1 3 315.461 2.329 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)N2CCC[C@@H](N(C)C)C2)CC1 ZINC000105133806 194077216 /nfs/dbraw/zinc/07/72/16/194077216.db2.gz KIIKPCPGXHDQKF-QGZVFWFLSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000359234833 296310558 /nfs/dbraw/zinc/31/05/58/296310558.db2.gz YQUZFHMLKXVCHP-HZPDHXFCSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000359234833 296310561 /nfs/dbraw/zinc/31/05/61/296310561.db2.gz YQUZFHMLKXVCHP-HZPDHXFCSA-N 1 3 322.497 2.177 20 0 DEADHO C[NH+](C)C1(CNC(=O)[C@@H](N)Cc2ccccc2)CCCCCC1 ZINC000269246664 207381910 /nfs/dbraw/zinc/38/19/10/207381910.db2.gz VEELBEDYVPBPRO-KRWDZBQOSA-N 1 3 317.477 2.327 20 0 DEADHO COC[C@H](CCC[NH3+])NCc1cn(-c2ccc(F)cc2)nc1C ZINC000422844234 533019043 /nfs/dbraw/zinc/01/90/43/533019043.db2.gz LGUDFAVMXMRZGW-INIZCTEOSA-N 1 3 320.412 2.163 20 0 DEADHO C[C@@H]1C[C@@H](NCc2ccncc2OCCC[NH+](C)C)CCO1 ZINC000288720333 220370315 /nfs/dbraw/zinc/37/03/15/220370315.db2.gz ZVAWFOGNUCOBFW-ZBFHGGJFSA-N 1 3 307.438 2.069 20 0 DEADHO C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc([O-])cc(F)c1 ZINC000289831227 221256740 /nfs/dbraw/zinc/25/67/40/221256740.db2.gz OUWDNVRBLTWYGR-UHFFFAOYSA-N 1 3 311.445 2.237 20 0 DEADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000289841012 221263317 /nfs/dbraw/zinc/26/33/17/221263317.db2.gz KHECOGCSLRXYDA-KBAYOESNSA-N 1 3 315.461 2.155 20 0 DEADHO CN1CCN(CCCC[NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000683927595 542519282 /nfs/dbraw/zinc/51/92/82/542519282.db2.gz MJLORXFAJJTZIG-UHFFFAOYSA-N 1 3 300.450 2.285 20 0 DEADHO C[C@@H]1CCC[C@@](CNC(=O)N2CCC[C@@H](N(C)C)C2)([NH+](C)C)C1 ZINC000246390022 296454386 /nfs/dbraw/zinc/45/43/86/296454386.db2.gz IMSRKYLWAHDOKQ-JFIYKMOQSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](NC1CC1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000294742868 533334112 /nfs/dbraw/zinc/33/41/12/533334112.db2.gz JYBYAVQDWXVBQT-CQSZACIVSA-N 1 3 301.434 2.039 20 0 DEADHO C[C@@H](NC(C)(C)CNC(=O)N1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000417713861 533323162 /nfs/dbraw/zinc/32/31/62/533323162.db2.gz YSONCDVXUXUWAB-CABCVRRESA-N 1 3 318.465 2.106 20 0 DEADHO COc1cccc(CC[NH2+][C@@H](C)c2ccc(CN)nc2C)n1 ZINC000423004622 533466793 /nfs/dbraw/zinc/46/67/93/533466793.db2.gz KJFXPJWRTQMZHO-LBPRGKRZSA-N 1 3 300.406 2.146 20 0 DEADHO Cc1cc(CN2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)ccc1-n1cncn1 ZINC000422561336 533636903 /nfs/dbraw/zinc/63/69/03/533636903.db2.gz KRKAHNFVKVHZGL-KMFMINBZSA-N 1 3 313.449 2.381 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)[C@@H](C)O1 ZINC000295642212 533652885 /nfs/dbraw/zinc/65/28/85/533652885.db2.gz IHHADDKHYVQMEI-SPYBWZPUSA-N 1 3 318.461 2.299 20 0 DEADHO CC(C)[NH2+]CCCNC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000562815685 292012908 /nfs/dbraw/zinc/01/29/08/292012908.db2.gz GWUPGKRAJVRVCG-UHFFFAOYSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc2c(c1)CNC2 ZINC000347503256 132766036 /nfs/dbraw/zinc/76/60/36/132766036.db2.gz JKVQBOCFLLBHSI-KFWWJZLASA-N 1 3 315.461 2.386 20 0 DEADHO CCCC[C@H]([NH3+])C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000353442633 132975130 /nfs/dbraw/zinc/97/51/30/132975130.db2.gz SQTGPKCLPIRMKC-XIRDDKMYSA-N 1 3 303.450 2.456 20 0 DEADHO CC(C)[NH+](CCN(C)C(=O)NC[C@@H](C)N(C)C1CC1)C(C)C ZINC000355962156 133057993 /nfs/dbraw/zinc/05/79/93/133057993.db2.gz MSHUTCZBVHCEGP-OAHLLOKOSA-N 1 3 312.502 2.229 20 0 DEADHO CC(C)[NH+](CCN(C)C(=O)NC[C@H](C)N(C)C1CC1)C(C)C ZINC000355962153 133058044 /nfs/dbraw/zinc/05/80/44/133058044.db2.gz MSHUTCZBVHCEGP-HNNXBMFYSA-N 1 3 312.502 2.229 20 0 DEADHO C[C@H](NC(=O)C1CCN(C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358108765 133121664 /nfs/dbraw/zinc/12/16/64/133121664.db2.gz WUSILAXJGMLMAN-HOCLYGCPSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](NC(=O)C1CCN(C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358108765 133121665 /nfs/dbraw/zinc/12/16/65/133121665.db2.gz WUSILAXJGMLMAN-HOCLYGCPSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000358178007 133126407 /nfs/dbraw/zinc/12/64/07/133126407.db2.gz YEVFSFVTDLWERA-DOTOQJQBSA-N 1 3 320.481 2.317 20 0 DEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000358178007 133126408 /nfs/dbraw/zinc/12/64/08/133126408.db2.gz YEVFSFVTDLWERA-DOTOQJQBSA-N 1 3 320.481 2.317 20 0 DEADHO COC1(CNC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCCC1 ZINC000359698175 133139579 /nfs/dbraw/zinc/13/95/79/133139579.db2.gz DQCPTEBHDDGEFK-SJORKVTESA-N 1 3 310.482 2.303 20 0 DEADHO CC[C@@H](N)C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000563090355 292030666 /nfs/dbraw/zinc/03/06/66/292030666.db2.gz NKTKGMDQEJPUOA-HYVNUMGLSA-N 1 3 303.450 2.141 20 0 DEADHO CC[C@@H](N)C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000563090355 292030667 /nfs/dbraw/zinc/03/06/67/292030667.db2.gz NKTKGMDQEJPUOA-HYVNUMGLSA-N 1 3 303.450 2.141 20 0 DEADHO C[C@@H](CNC(=O)Nc1ccc2c(c1)CNCC2)C[NH+]1CCCC1 ZINC000563500566 292059801 /nfs/dbraw/zinc/05/98/01/292059801.db2.gz MKBFSNMXAYNFQG-AWEZNQCLSA-N 1 3 316.449 2.186 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000563536702 292062018 /nfs/dbraw/zinc/06/20/18/292062018.db2.gz DIPSUCUACSZSGU-LSDHHAIUSA-N 1 3 303.450 2.141 20 0 DEADHO Cc1cccc(OC[C@H](O)C[NH2+]CC(C)(C)CN2CCCC2)c1 ZINC000563617898 292066474 /nfs/dbraw/zinc/06/64/74/292066474.db2.gz JAXKJDJVKKHRRK-QGZVFWFLSA-N 1 3 320.477 2.446 20 0 DEADHO C[C@H](C[NH2+]C1CCN(CCc2ccccc2)CC1)CN(C)C ZINC000291693958 404481983 /nfs/dbraw/zinc/48/19/83/404481983.db2.gz JKWXJSXOVSAEPV-QGZVFWFLSA-N 1 3 303.494 2.481 20 0 DEADHO CCN(CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C)C(=O)OC(C)(C)C ZINC000192807327 145079549 /nfs/dbraw/zinc/07/95/49/145079549.db2.gz XGMAPZVHLPTTKV-GOOCMWNKSA-N 1 3 311.470 2.458 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)C[C@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000246718301 145111858 /nfs/dbraw/zinc/11/18/58/145111858.db2.gz XLMHSKQGPRKYHK-NXHRZFHOSA-N 1 3 315.461 2.298 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)C[C@@H](C)O1 ZINC000247139550 145127264 /nfs/dbraw/zinc/12/72/64/145127264.db2.gz WDYMDVRPHJXSFU-QXDIGNSFSA-N 1 3 311.514 2.194 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000247596620 145141876 /nfs/dbraw/zinc/14/18/76/145141876.db2.gz SLXKHROEUZGWKC-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000247596620 145141878 /nfs/dbraw/zinc/14/18/78/145141878.db2.gz SLXKHROEUZGWKC-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO CN(C)[C@H](CNC(=O)C[NH+]1C[C@@H]2CCC[C@H]2C1)c1ccccc1 ZINC000248399235 145152993 /nfs/dbraw/zinc/15/29/93/145152993.db2.gz OOWZQGCYCPRXSH-OKZBNKHCSA-N 1 3 315.461 2.137 20 0 DEADHO FC(F)(F)CN1CC[C@H](CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000252514572 145199314 /nfs/dbraw/zinc/19/93/14/145199314.db2.gz OHUWNWITXRRIQU-RDBSUJKOSA-N 1 3 305.388 2.087 20 0 DEADHO FC(F)(F)CN1CC[C@H](CN[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000252514572 145199315 /nfs/dbraw/zinc/19/93/15/145199315.db2.gz OHUWNWITXRRIQU-RDBSUJKOSA-N 1 3 305.388 2.087 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)CC1CC[NH2+]CC1 ZINC000261541153 145206527 /nfs/dbraw/zinc/20/65/27/145206527.db2.gz FRBYVZRVADUKBM-OAHLLOKOSA-N 1 3 303.450 2.013 20 0 DEADHO O=C(CC[C@H]1CCC[NH2+]1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000261549691 145206995 /nfs/dbraw/zinc/20/69/95/145206995.db2.gz PAKJWMATRVCQDK-MSOLQXFVSA-N 1 3 315.461 2.299 20 0 DEADHO C[C@H](NC(=O)C1(N)CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261557593 145207852 /nfs/dbraw/zinc/20/78/52/145207852.db2.gz XNOUFLZMWBEJTH-RDJZCZTQSA-N 1 3 315.461 2.285 20 0 DEADHO C[C@H](NC(=O)C1(N)CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261557593 145207853 /nfs/dbraw/zinc/20/78/53/145207853.db2.gz XNOUFLZMWBEJTH-RDJZCZTQSA-N 1 3 315.461 2.285 20 0 DEADHO [NH3+][C@@H]1CC[C@@H]2CN(CCC(=O)Nc3ccccc3Cl)C[C@@H]12 ZINC000261615970 145210624 /nfs/dbraw/zinc/21/06/24/145210624.db2.gz FRQXPCUADWUBDJ-YRGRVCCFSA-N 1 3 307.825 2.338 20 0 DEADHO O=C(CC[C@@H]1CC[NH2+]C1)N1CCN(CC2CCCCC2)CC1 ZINC000261774673 145225049 /nfs/dbraw/zinc/22/50/49/145225049.db2.gz IZKBJHCJLRKYEF-MRXNPFEDSA-N 1 3 307.482 2.101 20 0 DEADHO Cc1ccc(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)s1 ZINC000261813662 145228853 /nfs/dbraw/zinc/22/88/53/145228853.db2.gz AFBBKBUWEFTIJO-GOEBONIOSA-N 1 3 321.490 2.137 20 0 DEADHO C[C@@H](c1ccccc1)N(C)C(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000261860223 145234884 /nfs/dbraw/zinc/23/48/84/145234884.db2.gz FWVZTWAWIYCHJE-JKSUJKDBSA-N 1 3 303.450 2.267 20 0 DEADHO Cc1cccc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000261950488 145246076 /nfs/dbraw/zinc/24/60/76/145246076.db2.gz WFBQAGRVCSCQRE-MSOLQXFVSA-N 1 3 315.461 2.075 20 0 DEADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC(CC[NH2+]C)CC1 ZINC000262008702 145253149 /nfs/dbraw/zinc/25/31/49/145253149.db2.gz SJFFEQGJEJZIJK-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO c1ccc(-c2cccc(CN3CC[C@H](N4CC[NH2+]CC4)C3)c2)nc1 ZINC000262082850 145260071 /nfs/dbraw/zinc/26/00/71/145260071.db2.gz FNSAGSJZVGBEAW-IBGZPJMESA-N 1 3 322.456 2.228 20 0 DEADHO c1cc(CN2CC[C@H](N3CC[NH2+]CC3)C2)cc(-c2ccncc2)c1 ZINC000262102488 145262220 /nfs/dbraw/zinc/26/22/20/145262220.db2.gz IZUFPVRMWRISQE-FQEVSTJZSA-N 1 3 322.456 2.228 20 0 DEADHO COc1ccc(CN2CCC3(C2)CC[NH2+]CC3)c(OC)c1OC ZINC000262139505 145265351 /nfs/dbraw/zinc/26/53/51/145265351.db2.gz YYDFXBGRNQFNRW-UHFFFAOYSA-N 1 3 320.433 2.288 20 0 DEADHO C[C@H](C(=O)NC[C@H]1CCCCN1Cc1ccccc1)C1C[NH2+]C1 ZINC000262315312 145275484 /nfs/dbraw/zinc/27/54/84/145275484.db2.gz DIURFJIVPJWJMK-MAUKXSAKSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@H]1C[C@@H](N(C)C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CCN1C ZINC000262377989 145280310 /nfs/dbraw/zinc/28/03/10/145280310.db2.gz XNDOJVXNNDWLAX-LBIHUFLLSA-N 1 3 307.482 2.081 20 0 DEADHO NCc1cc(NC(=O)C[C@H]2CCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000263012092 145317701 /nfs/dbraw/zinc/31/77/01/145317701.db2.gz RGVJZTUWLIKWEL-LLVKDONJSA-N 1 3 301.312 2.245 20 0 DEADHO c1cn(CCN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000310009559 145351945 /nfs/dbraw/zinc/35/19/45/145351945.db2.gz JOJGSYVZYYHGLV-MOPGFXCFSA-N 1 3 310.445 2.337 20 0 DEADHO c1cn(CCN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000310009559 145351947 /nfs/dbraw/zinc/35/19/47/145351947.db2.gz JOJGSYVZYYHGLV-MOPGFXCFSA-N 1 3 310.445 2.337 20 0 DEADHO CC(C)[C@@H](CN[C@H](C)C[C@H]1CCCCC[NH2+]1)N1CCN(C)CC1 ZINC000321029375 145376219 /nfs/dbraw/zinc/37/62/19/145376219.db2.gz WMIBLVNNXOQGQO-GUDVDZBRSA-N 1 3 324.557 2.159 20 0 DEADHO CCN(C[C@@H](O)C[N@H+](C)CC)[C@@H](C)Cc1ccc(OC)cc1 ZINC000565165528 292139626 /nfs/dbraw/zinc/13/96/26/292139626.db2.gz QVWNIEKFUCJLAV-RDJZCZTQSA-N 1 3 308.466 2.261 20 0 DEADHO CCN(C[C@@H](O)C[N@@H+](C)CC)[C@@H](C)Cc1ccc(OC)cc1 ZINC000565165528 292139627 /nfs/dbraw/zinc/13/96/27/292139627.db2.gz QVWNIEKFUCJLAV-RDJZCZTQSA-N 1 3 308.466 2.261 20 0 DEADHO FC(F)(F)Cn1cc(CN2CCC([C@H]3CCC[NH2+]3)CC2)cn1 ZINC000347033701 146183590 /nfs/dbraw/zinc/18/35/90/146183590.db2.gz BXOUEAYFGYHYMI-CQSZACIVSA-N 1 3 316.371 2.409 20 0 DEADHO CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000348374899 146262287 /nfs/dbraw/zinc/26/22/87/146262287.db2.gz GKOLJRWEDOVMLL-RDJZCZTQSA-N 1 3 303.450 2.256 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000348642076 146294682 /nfs/dbraw/zinc/29/46/82/146294682.db2.gz NBUODCFLMNWUDD-YESZJQIVSA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000348642076 146294684 /nfs/dbraw/zinc/29/46/84/146294684.db2.gz NBUODCFLMNWUDD-YESZJQIVSA-N 1 3 324.513 2.280 20 0 DEADHO FC(F)(F)Cn1cc(CN2CCC([C@H]3CC[NH2+]C3)CC2)cn1 ZINC000357073723 147036629 /nfs/dbraw/zinc/03/66/29/147036629.db2.gz IEQURMYMWYWESF-AWEZNQCLSA-N 1 3 316.371 2.267 20 0 DEADHO CCC[NH+]1CCC(CNC(=O)[C@@H](CN)c2ccc(F)cc2)CC1 ZINC000358864760 147222021 /nfs/dbraw/zinc/22/20/21/147222021.db2.gz LMFTXAPDLFSGQL-KRWDZBQOSA-N 1 3 321.440 2.106 20 0 DEADHO CO[C@]1(C[NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)CCOC1 ZINC000359416175 147324480 /nfs/dbraw/zinc/32/44/80/147324480.db2.gz JBSYXXYCZOBETB-YJBOKZPZSA-N 1 3 322.449 2.083 20 0 DEADHO Cc1nc(CN2CCC(C[NH2+][C@@H]3CCC[C@@H](N)C3)CC2)oc1C ZINC000565550405 292170693 /nfs/dbraw/zinc/17/06/93/292170693.db2.gz XHXXGIYQLQLJHN-IAGOWNOFSA-N 1 3 320.481 2.363 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2)c1ccccc1 ZINC000375256067 148348759 /nfs/dbraw/zinc/34/87/59/148348759.db2.gz MFBKLJXGVQLILD-ZSZQSSIHSA-N 1 3 315.461 2.232 20 0 DEADHO Fc1cccnc1N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000566089212 292203808 /nfs/dbraw/zinc/20/38/08/292203808.db2.gz GZHAZQHFZZHORW-HDEZJCGLSA-N 1 3 318.440 2.310 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000073659815 401720037 /nfs/dbraw/zinc/72/00/37/401720037.db2.gz VPTBRLCECAJMJM-MRXNPFEDSA-N 1 3 324.513 2.140 20 0 DEADHO Cc1nccn1-c1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)cn1 ZINC000126378445 401691468 /nfs/dbraw/zinc/69/14/68/401691468.db2.gz RRZPMXBFGSTBGZ-JJRVBVJISA-N 1 3 313.449 2.394 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000126938223 401713698 /nfs/dbraw/zinc/71/36/98/401713698.db2.gz LPJUPMNNFCLCIN-GDBMZVCRSA-N 1 3 322.497 2.033 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+](C)C[C@@H]2CCCO2)CC1 ZINC000128085947 401762199 /nfs/dbraw/zinc/76/21/99/401762199.db2.gz DVVUYWBOLUEYOG-SFHVURJKSA-N 1 3 317.477 2.439 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+](C)C[C@@H]2CCCO2)CC1 ZINC000128085947 401762201 /nfs/dbraw/zinc/76/22/01/401762201.db2.gz DVVUYWBOLUEYOG-SFHVURJKSA-N 1 3 317.477 2.439 20 0 DEADHO C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000113456177 401779803 /nfs/dbraw/zinc/77/98/03/401779803.db2.gz AIXJXRWVJRYHEB-QZTJIDSGSA-N 1 3 315.461 2.061 20 0 DEADHO O=C(C[C@@H]1CC[NH2+]C1)NC[C@H](c1cccs1)N1CCCC1 ZINC000130304731 401826651 /nfs/dbraw/zinc/82/66/51/401826651.db2.gz QXENGZSOUBEYRI-UONOGXRCSA-N 1 3 307.463 2.001 20 0 DEADHO Cc1ccc([C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000077782196 401830942 /nfs/dbraw/zinc/83/09/42/401830942.db2.gz IDEQUGZSFVHUGL-INIZCTEOSA-N 1 3 320.481 2.191 20 0 DEADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCCC1 ZINC000025419013 401834266 /nfs/dbraw/zinc/83/42/66/401834266.db2.gz JTAGIMFNCFDBPI-INIZCTEOSA-N 1 3 315.461 2.252 20 0 DEADHO CN1CCC[C@H](CNC(=O)C[C@@H]2CC[NH2+]C2)[C@@H]1c1cccs1 ZINC000130852856 401840022 /nfs/dbraw/zinc/84/00/22/401840022.db2.gz UOCLJPSDKIMXLX-JJRVBVJISA-N 1 3 321.490 2.247 20 0 DEADHO CC(=O)NC1CCC([NH2+]CCCN2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000132553788 401869051 /nfs/dbraw/zinc/86/90/51/401869051.db2.gz FGTCIQPUNILRCI-RCDYEMGKSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)[C@H]1CCCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000117347418 401874809 /nfs/dbraw/zinc/87/48/09/401874809.db2.gz XKVWKAALUUSBAY-QGZVFWFLSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@]1(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CCC[NH2+]1 ZINC000134606087 401908316 /nfs/dbraw/zinc/90/83/16/401908316.db2.gz MWTOEARTWUMOLG-PKOBYXMFSA-N 1 3 315.461 2.299 20 0 DEADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000085386132 401914909 /nfs/dbraw/zinc/91/49/09/401914909.db2.gz CTCXMELPEOPTCA-HIFRSBDPSA-N 1 3 324.513 2.277 20 0 DEADHO Cc1n[nH]c(C)c1CN1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000120615274 401995853 /nfs/dbraw/zinc/99/58/53/401995853.db2.gz AUNZMMDPQZEFNB-ZIAGYGMSSA-N 1 3 320.481 2.348 20 0 DEADHO CCCN1CC[C@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000151101315 402015863 /nfs/dbraw/zinc/01/58/63/402015863.db2.gz IJJQQZHFORWESR-CYBMUJFWSA-N 1 3 307.404 2.335 20 0 DEADHO COc1ccc2c(c1)[C@H](NCCC[NH+]1CCC(O)CC1)CC2 ZINC000151361621 402032058 /nfs/dbraw/zinc/03/20/58/402032058.db2.gz BRFMKSRRRKDKEQ-GOSISDBHSA-N 1 3 304.434 2.119 20 0 DEADHO C[C@H]1Cc2ccc(F)cc2[C@H]1NCCC[NH+]1CCC(O)CC1 ZINC000151382120 402033441 /nfs/dbraw/zinc/03/34/41/402033441.db2.gz KQIIELAGPANANU-UGSOOPFHSA-N 1 3 306.425 2.495 20 0 DEADHO CC[N@@H+]1CC[C@H](NCc2ccccc2OCCN(C)C)[C@H](C)C1 ZINC000122310796 402072175 /nfs/dbraw/zinc/07/21/75/402072175.db2.gz ZKUPSKQGBAFUAE-AEFFLSMTSA-N 1 3 319.493 2.447 20 0 DEADHO CC[N@H+]1CC[C@H](NCc2ccccc2OCCN(C)C)[C@H](C)C1 ZINC000122310796 402072177 /nfs/dbraw/zinc/07/21/77/402072177.db2.gz ZKUPSKQGBAFUAE-AEFFLSMTSA-N 1 3 319.493 2.447 20 0 DEADHO CCN(CC)CC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000058880051 402102888 /nfs/dbraw/zinc/10/28/88/402102888.db2.gz WHLCGOLLQKXKJF-UHFFFAOYSA-N 1 3 309.429 2.058 20 0 DEADHO COc1ccccc1[C@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)N(C)C ZINC000153274384 402136666 /nfs/dbraw/zinc/13/66/66/402136666.db2.gz IYHZNROECRWYIT-INMHGKMJSA-N 1 3 305.466 2.370 20 0 DEADHO COc1ccccc1[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)N(C)C ZINC000153274384 402136668 /nfs/dbraw/zinc/13/66/68/402136668.db2.gz IYHZNROECRWYIT-INMHGKMJSA-N 1 3 305.466 2.370 20 0 DEADHO COc1ccccc1[C@H](C[NH2+][C@@H]1CCN(C)[C@H](C)C1)N(C)C ZINC000153274384 402136671 /nfs/dbraw/zinc/13/66/71/402136671.db2.gz IYHZNROECRWYIT-INMHGKMJSA-N 1 3 305.466 2.370 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CCN(C)CC1 ZINC000066697410 402140160 /nfs/dbraw/zinc/14/01/60/402140160.db2.gz GDBOEJCHESGHJB-INIZCTEOSA-N 1 3 310.486 2.034 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC1CCN(C)CC1 ZINC000066697410 402140162 /nfs/dbraw/zinc/14/01/62/402140162.db2.gz GDBOEJCHESGHJB-INIZCTEOSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@H](C)N1 ZINC000154026919 402188375 /nfs/dbraw/zinc/18/83/75/402188375.db2.gz KOIWUQMSYFWRDK-GJZGRUSLSA-N 1 3 301.434 2.105 20 0 DEADHO COc1cc(C[NH2+]C[C@@H]2CCCN(C)C2)cc(OC)c1OC ZINC000068722719 402204320 /nfs/dbraw/zinc/20/43/20/402204320.db2.gz UFGASFNCTYZGAK-ZDUSSCGKSA-N 1 3 308.422 2.144 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N(C)C ZINC000125120432 402214700 /nfs/dbraw/zinc/21/47/00/402214700.db2.gz YSSFLLPJPWVVLJ-QZTJIDSGSA-N 1 3 317.477 2.007 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N(C)C ZINC000125120432 402214703 /nfs/dbraw/zinc/21/47/03/402214703.db2.gz YSSFLLPJPWVVLJ-QZTJIDSGSA-N 1 3 317.477 2.007 20 0 DEADHO C[C@@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)N1CCCCCC1 ZINC000155200557 402248429 /nfs/dbraw/zinc/24/84/29/402248429.db2.gz FYKSPJWSYHOFNO-GVDBMIGSSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)N1CCCCCC1 ZINC000155200557 402248430 /nfs/dbraw/zinc/24/84/30/402248430.db2.gz FYKSPJWSYHOFNO-GVDBMIGSSA-N 1 3 307.482 2.194 20 0 DEADHO C[NH+](C)C1(CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)CCCC1 ZINC000225877001 402324963 /nfs/dbraw/zinc/32/49/63/402324963.db2.gz FABQYPJCTWDQDR-AWEZNQCLSA-N 1 3 311.470 2.460 20 0 DEADHO C[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)N(C)C1CC1 ZINC000159102470 402317532 /nfs/dbraw/zinc/31/75/32/402317532.db2.gz ZKIDSOJWOREASO-DOTOQJQBSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)C[C@H](N)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000236652369 402371831 /nfs/dbraw/zinc/37/18/31/402371831.db2.gz BHBYFPWHBBSYQU-KRWDZBQOSA-N 1 3 309.498 2.474 20 0 DEADHO CC[C@H](N)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000236917804 402388616 /nfs/dbraw/zinc/38/86/16/402388616.db2.gz XNTNAAQDQGAOLD-YOEHRIQHSA-N 1 3 303.450 2.415 20 0 DEADHO CC[C@H](N)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000236917804 402388620 /nfs/dbraw/zinc/38/86/20/402388620.db2.gz XNTNAAQDQGAOLD-YOEHRIQHSA-N 1 3 303.450 2.415 20 0 DEADHO CN(CCOc1ccccc1)CCN(C)C1CC[NH+](C)CC1 ZINC000177372638 402395683 /nfs/dbraw/zinc/39/56/83/402395683.db2.gz XUUGCYRGSBJHNE-UHFFFAOYSA-N 1 3 305.466 2.023 20 0 DEADHO C[NH2+]C[C@@H](C)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000237184428 402398243 /nfs/dbraw/zinc/39/82/43/402398243.db2.gz UGEFUKCWPFLNTR-CABCVRRESA-N 1 3 303.450 2.184 20 0 DEADHO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000237233360 402400561 /nfs/dbraw/zinc/40/05/61/402400561.db2.gz JIIKUUQRDFCOHA-ROUUACIJSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@H](C(=O)NCCC[NH+]1CCCCC1)[C@H](N)c1ccccc1 ZINC000177461052 402404944 /nfs/dbraw/zinc/40/49/44/402404944.db2.gz LSDYVWMAQVMYQR-RDJZCZTQSA-N 1 3 303.450 2.315 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H](N)Cc1ccccc1 ZINC000237497148 402410267 /nfs/dbraw/zinc/41/02/67/402410267.db2.gz IEATWIPEDCYGKM-WMZOPIPTSA-N 1 3 317.477 2.327 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H](N)Cc1ccccc1 ZINC000237497148 402410270 /nfs/dbraw/zinc/41/02/70/402410270.db2.gz IEATWIPEDCYGKM-WMZOPIPTSA-N 1 3 317.477 2.327 20 0 DEADHO C[C@H]1C[C@H](N(C)C(=O)[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000237561490 402412699 /nfs/dbraw/zinc/41/26/99/402412699.db2.gz XPJGDDVICYOHOC-CGTJXYLNSA-N 1 3 315.461 2.107 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000237622528 402415389 /nfs/dbraw/zinc/41/53/89/402415389.db2.gz NLDZOCFRWNSNPM-IRXDYDNUSA-N 1 3 301.434 2.000 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@@]2(C)CCCCN2)C1 ZINC000237714655 402419191 /nfs/dbraw/zinc/41/91/91/402419191.db2.gz WPECOAUYTLVROO-RVKKMQEKSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@]2(C)CCCCN2)C1 ZINC000237714655 402419193 /nfs/dbraw/zinc/41/91/93/402419193.db2.gz WPECOAUYTLVROO-RVKKMQEKSA-N 1 3 309.498 2.391 20 0 DEADHO N[C@H](CC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000237869613 402424058 /nfs/dbraw/zinc/42/40/58/402424058.db2.gz XPPQGLAQQFKSNG-QZTJIDSGSA-N 1 3 315.461 2.457 20 0 DEADHO N[C@H](CC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000237869613 402424061 /nfs/dbraw/zinc/42/40/61/402424061.db2.gz XPPQGLAQQFKSNG-QZTJIDSGSA-N 1 3 315.461 2.457 20 0 DEADHO CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000177998228 402451219 /nfs/dbraw/zinc/45/12/19/402451219.db2.gz YQPWEIJVPDFYPT-LZLYRXPVSA-N 1 3 317.477 2.353 20 0 DEADHO O=C(NCc1ccccc1CN1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000238029602 402433653 /nfs/dbraw/zinc/43/36/53/402433653.db2.gz VLTOXWLOXRQNFT-KRWDZBQOSA-N 1 3 301.434 2.041 20 0 DEADHO CSCC[C@H](N)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000164605713 402465707 /nfs/dbraw/zinc/46/57/07/402465707.db2.gz OGXFXRJOZWCBPJ-INIZCTEOSA-N 1 3 323.506 2.223 20 0 DEADHO CSCC[C@H](N)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000164605713 402465710 /nfs/dbraw/zinc/46/57/10/402465710.db2.gz OGXFXRJOZWCBPJ-INIZCTEOSA-N 1 3 323.506 2.223 20 0 DEADHO NC[C@@H](C(=O)NCC[NH2+]C1CCCCCC1)c1ccccc1 ZINC000178177173 402468356 /nfs/dbraw/zinc/46/83/56/402468356.db2.gz ZKBSREBWQRPZCO-QGZVFWFLSA-N 1 3 303.450 2.158 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)c1ccsc1 ZINC000164901359 402470298 /nfs/dbraw/zinc/47/02/98/402470298.db2.gz JTELIBNZLMIUHE-ZBFHGGJFSA-N 1 3 309.479 2.247 20 0 DEADHO CC(C)[NH2+]CCC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000165492407 402476876 /nfs/dbraw/zinc/47/68/76/402476876.db2.gz XAHQNHXZTBOXLL-GOSISDBHSA-N 1 3 317.477 2.498 20 0 DEADHO CN1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1=O ZINC000245675728 402478775 /nfs/dbraw/zinc/47/87/75/402478775.db2.gz HZZLZZMFSVSIRV-MHORFTMASA-N 1 3 313.445 2.002 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000167789633 402493727 /nfs/dbraw/zinc/49/37/27/402493727.db2.gz FVYDWRQHBRZYTR-RDJZCZTQSA-N 1 3 315.461 2.328 20 0 DEADHO CN1CCC[C@H](CNC(=O)C[C@@H]2CCC[NH2+]2)[C@@H]1c1cccs1 ZINC000178816492 402543396 /nfs/dbraw/zinc/54/33/96/402543396.db2.gz RDQYAPXHSPAAHD-JKIFEVAISA-N 1 3 321.490 2.389 20 0 DEADHO CC[N@@H+]1CC[C@H](NCCC(=O)NCc2ccccc2)[C@@H](C)C1 ZINC000246948088 402550195 /nfs/dbraw/zinc/55/01/95/402550195.db2.gz IBXRCAIUUAILHR-RDJZCZTQSA-N 1 3 303.450 2.013 20 0 DEADHO CC[N@H+]1CC[C@H](NCCC(=O)NCc2ccccc2)[C@@H](C)C1 ZINC000246948088 402550199 /nfs/dbraw/zinc/55/01/99/402550199.db2.gz IBXRCAIUUAILHR-RDJZCZTQSA-N 1 3 303.450 2.013 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246311607 402524875 /nfs/dbraw/zinc/52/48/75/402524875.db2.gz BWTZQXASAMLXHE-QKPAOTATSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000246311607 402524876 /nfs/dbraw/zinc/52/48/76/402524876.db2.gz BWTZQXASAMLXHE-QKPAOTATSA-N 1 3 322.497 2.031 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000246453539 402532069 /nfs/dbraw/zinc/53/20/69/402532069.db2.gz FBHVQDAGAMTJQU-HOTGVXAUSA-N 1 3 312.502 2.088 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000246453539 402532071 /nfs/dbraw/zinc/53/20/71/402532071.db2.gz FBHVQDAGAMTJQU-HOTGVXAUSA-N 1 3 312.502 2.088 20 0 DEADHO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCCN1 ZINC000178731046 402532166 /nfs/dbraw/zinc/53/21/66/402532166.db2.gz AMMDAPZKEUNICT-GOSISDBHSA-N 1 3 315.461 2.157 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000246468584 402532378 /nfs/dbraw/zinc/53/23/78/402532378.db2.gz VGXIXNYKEFJLNI-HUUCEWRRSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@H](CNC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)N(C)C1CC1 ZINC000246508950 402534444 /nfs/dbraw/zinc/53/44/44/402534444.db2.gz UNNYQFYAVLQFTR-XUWVNRHRSA-N 1 3 324.513 2.135 20 0 DEADHO C[C@H](CNC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)N(C)C1CC1 ZINC000246508950 402534447 /nfs/dbraw/zinc/53/44/47/402534447.db2.gz UNNYQFYAVLQFTR-XUWVNRHRSA-N 1 3 324.513 2.135 20 0 DEADHO CC(C)COC[C@H](O)CN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248566307 402596130 /nfs/dbraw/zinc/59/61/30/402596130.db2.gz KVOHDQCEFXTVIC-XYJFISCASA-N 1 3 312.498 2.263 20 0 DEADHO CC(C)COC[C@H](O)CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248566307 402596132 /nfs/dbraw/zinc/59/61/32/402596132.db2.gz KVOHDQCEFXTVIC-XYJFISCASA-N 1 3 312.498 2.263 20 0 DEADHO CC(C)COC[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000248566307 402596134 /nfs/dbraw/zinc/59/61/34/402596134.db2.gz KVOHDQCEFXTVIC-XYJFISCASA-N 1 3 312.498 2.263 20 0 DEADHO CC(C)n1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000171840836 402627518 /nfs/dbraw/zinc/62/75/18/402627518.db2.gz ZWDKFZMBIJWKTJ-IYBDPMFKSA-N 1 3 308.470 2.443 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@H]2CCCN2C)C1 ZINC000249890947 402643032 /nfs/dbraw/zinc/64/30/32/402643032.db2.gz SVVHUMOWWAKMEJ-IXDOHACOSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@H]2CCCN2C)C1 ZINC000249890947 402643033 /nfs/dbraw/zinc/64/30/33/402643033.db2.gz SVVHUMOWWAKMEJ-IXDOHACOSA-N 1 3 324.513 2.138 20 0 DEADHO CCO[C@H]1C[C@@H]([NH2+]CCCCN2CCN(CC)CC2)C12CCC2 ZINC000181493510 402647079 /nfs/dbraw/zinc/64/70/79/402647079.db2.gz XNLNPXAUGJBQIX-MSOLQXFVSA-N 1 3 323.525 2.341 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000173848032 402715253 /nfs/dbraw/zinc/71/52/53/402715253.db2.gz RHRDAXMEVQNFFQ-SJORKVTESA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000173848032 402715254 /nfs/dbraw/zinc/71/52/54/402715254.db2.gz RHRDAXMEVQNFFQ-SJORKVTESA-N 1 3 324.513 2.234 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)C3C(C)(C)C3(C)C)CC2)CC1 ZINC000174404216 402739531 /nfs/dbraw/zinc/73/95/31/402739531.db2.gz HRWBMEOXQIOAKC-UHFFFAOYSA-N 1 3 321.509 2.343 20 0 DEADHO C[C@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)[C@H](N)c1ccccc1 ZINC000263229981 402748220 /nfs/dbraw/zinc/74/82/20/402748220.db2.gz BSIUGRIOHMQXIF-JQHSSLGASA-N 1 3 315.461 2.409 20 0 DEADHO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000263260891 402751645 /nfs/dbraw/zinc/75/16/45/402751645.db2.gz MFEGIAPUWNVLMF-KZNAEPCWSA-N 1 3 315.461 2.285 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)C1 ZINC000175311297 402796666 /nfs/dbraw/zinc/79/66/66/402796666.db2.gz BKXDQKRXAOHURS-TWMKSMIVSA-N 1 3 309.498 2.438 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)C1 ZINC000175311297 402796669 /nfs/dbraw/zinc/79/66/69/402796669.db2.gz BKXDQKRXAOHURS-TWMKSMIVSA-N 1 3 309.498 2.438 20 0 DEADHO C[C@H](C(=O)N(CC[NH3+])Cc1ccccc1)[C@H](N)c1ccccc1 ZINC000184207323 402826558 /nfs/dbraw/zinc/82/65/58/402826558.db2.gz WXOSLGQAIPFZQW-YJBOKZPZSA-N 1 3 311.429 2.310 20 0 DEADHO Cc1ccncc1[C@H](C)[NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000271459347 402873012 /nfs/dbraw/zinc/87/30/12/402873012.db2.gz FZENFPRFTZHYRR-JCGIZDLHSA-N 1 3 303.450 2.418 20 0 DEADHO Cc1ccc(NC(=O)NC[C@H](C)[NH+](C)C)c(OCCN(C)C)c1 ZINC000265700681 402941322 /nfs/dbraw/zinc/94/13/22/402941322.db2.gz IIWTXYUEGMPSFE-AWEZNQCLSA-N 1 3 322.453 2.007 20 0 DEADHO COc1coc(C[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)cc1=O ZINC000273306695 402992697 /nfs/dbraw/zinc/99/26/97/402992697.db2.gz SPCQIRZCPSIVQE-KBPBESRZSA-N 1 3 320.433 2.391 20 0 DEADHO CN(C(=O)[C@H]1CCN(CC[C@H]2CCC[N@@H+]2C)C1)c1ccccc1 ZINC000280492501 403005600 /nfs/dbraw/zinc/00/56/00/403005600.db2.gz ARVVISWTJBHUJD-DLBZAZTESA-N 1 3 315.461 2.456 20 0 DEADHO CN(C(=O)[C@H]1CCN(CC[C@H]2CCC[N@H+]2C)C1)c1ccccc1 ZINC000280492501 403005601 /nfs/dbraw/zinc/00/56/01/403005601.db2.gz ARVVISWTJBHUJD-DLBZAZTESA-N 1 3 315.461 2.456 20 0 DEADHO CN(C)[C@H](CNC(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC000273180806 402979916 /nfs/dbraw/zinc/97/99/16/402979916.db2.gz DYKIWIZGAPNHQO-QGZVFWFLSA-N 1 3 303.450 2.137 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)N(C)C)cc1 ZINC000342765960 292254349 /nfs/dbraw/zinc/25/43/49/292254349.db2.gz REXWBUIFFRTXGZ-PVAVHDDUSA-N 1 3 303.450 2.102 20 0 DEADHO Cc1ccc([C@H](CNC(=O)CC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000273215599 402983630 /nfs/dbraw/zinc/98/36/30/402983630.db2.gz MATFNDYJXFQAKQ-SFHVURJKSA-N 1 3 317.477 2.446 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000350947864 404494176 /nfs/dbraw/zinc/49/41/76/404494176.db2.gz GLROCJPVCVKWSG-QGZVFWFLSA-N 1 3 324.513 2.236 20 0 DEADHO COc1cc(CNCC2(O)CC[NH+](C(C)C)CC2)cc(OC)c1 ZINC000268452722 403084685 /nfs/dbraw/zinc/08/46/85/403084685.db2.gz WIGHTAJNMIAPCY-UHFFFAOYSA-N 1 3 322.449 2.029 20 0 DEADHO Cc1n[nH]c(CC[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000274819025 403090878 /nfs/dbraw/zinc/09/08/78/403090878.db2.gz ZZGPCTRLMGCQMS-YOEHRIQHSA-N 1 3 313.449 2.156 20 0 DEADHO CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268685405 403105847 /nfs/dbraw/zinc/10/58/47/403105847.db2.gz HHVXEYHOIXZWPP-GOSISDBHSA-N 1 3 315.461 2.061 20 0 DEADHO CC(C)C(=O)NCCN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268707960 403108499 /nfs/dbraw/zinc/10/84/99/403108499.db2.gz FIDAJMIBEQEMID-FUHWJXTLSA-N 1 3 317.477 2.259 20 0 DEADHO CC(C)C(=O)NCCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268707960 403108500 /nfs/dbraw/zinc/10/85/00/403108500.db2.gz FIDAJMIBEQEMID-FUHWJXTLSA-N 1 3 317.477 2.259 20 0 DEADHO C[C@H](Cc1ccc(F)cc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000281863007 403099405 /nfs/dbraw/zinc/09/94/05/403099405.db2.gz AOUKKIPHWBBHAF-OAHLLOKOSA-N 1 3 307.457 2.372 20 0 DEADHO COc1cccc2c1CC[C@H]2[NH2+]C1CCN(CCN(C)C)CC1 ZINC000268790779 403114056 /nfs/dbraw/zinc/11/40/56/403114056.db2.gz XTIOIPFUFOPZFP-GOSISDBHSA-N 1 3 317.477 2.298 20 0 DEADHO CC[N@@H+]1CC[C@@H](NCCNC(=O)c2cccc(C)c2)[C@@H](C)C1 ZINC000268827379 403118506 /nfs/dbraw/zinc/11/85/06/403118506.db2.gz ZNDNWKCFXRJGMZ-DOTOQJQBSA-N 1 3 303.450 2.045 20 0 DEADHO CC[N@H+]1CC[C@@H](NCCNC(=O)c2cccc(C)c2)[C@@H](C)C1 ZINC000268827379 403118508 /nfs/dbraw/zinc/11/85/08/403118508.db2.gz ZNDNWKCFXRJGMZ-DOTOQJQBSA-N 1 3 303.450 2.045 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000269267306 403126483 /nfs/dbraw/zinc/12/64/83/403126483.db2.gz LDGLSUOHYFJLSK-ZWKOTPCHSA-N 1 3 315.461 2.142 20 0 DEADHO C[C@@H]1C[C@@H](NCCC(=O)Nc2cc(F)cc(F)c2)CC[N@@H+]1C ZINC000566733324 292264489 /nfs/dbraw/zinc/26/44/89/292264489.db2.gz PXPZULBWVUZOTA-RISCZKNCSA-N 1 3 311.376 2.366 20 0 DEADHO C[C@@H]1C[C@@H](NCCC(=O)Nc2cc(F)cc(F)c2)CC[N@H+]1C ZINC000566733324 292264492 /nfs/dbraw/zinc/26/44/92/292264492.db2.gz PXPZULBWVUZOTA-RISCZKNCSA-N 1 3 311.376 2.366 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C[NH2+]CC1CC1 ZINC000269277994 403127659 /nfs/dbraw/zinc/12/76/59/403127659.db2.gz YPYZRGNLPCOLBS-MAUKXSAKSA-N 1 3 315.461 2.013 20 0 DEADHO COCCC[NH+]1CCC(N[C@H](C)c2cccc(CO)c2)CC1 ZINC000270519272 403197772 /nfs/dbraw/zinc/19/77/72/403197772.db2.gz RDJQPSNYUAEDPE-OAHLLOKOSA-N 1 3 306.450 2.330 20 0 DEADHO CCNC(=O)CCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285742175 403370046 /nfs/dbraw/zinc/37/00/46/403370046.db2.gz YEYBRROFOLSXQR-IBGZPJMESA-N 1 3 315.461 2.111 20 0 DEADHO CCNC(=O)CCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285742175 403370050 /nfs/dbraw/zinc/37/00/50/403370050.db2.gz YEYBRROFOLSXQR-IBGZPJMESA-N 1 3 315.461 2.111 20 0 DEADHO OC1CCC([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)CC1 ZINC000285998629 403427316 /nfs/dbraw/zinc/42/73/16/403427316.db2.gz IMYZPMDFCOWGPK-LMDPOFIKSA-N 1 3 302.462 2.444 20 0 DEADHO CC[NH+](CC)CC1CCN([C@H](C)C(=O)N2CCCCC2)CC1 ZINC000343047850 403443313 /nfs/dbraw/zinc/44/33/13/403443313.db2.gz YXMYVAUCNNMFRX-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000345898907 403524734 /nfs/dbraw/zinc/52/47/34/403524734.db2.gz GHNKFGBFBVTAAH-IXDOHACOSA-N 1 3 307.482 2.336 20 0 DEADHO CC(C)[C@H](C(=O)N(C)CCCN(C)Cc1ccco1)[NH+](C)C ZINC000286752600 403544882 /nfs/dbraw/zinc/54/48/82/403544882.db2.gz SVJBZRAJJKMTJT-MRXNPFEDSA-N 1 3 309.454 2.146 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCCN(C)CC2)C1 ZINC000339988246 403517617 /nfs/dbraw/zinc/51/76/17/403517617.db2.gz SSANEPIMBUVZKE-IYBDPMFKSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCCN(C)CC2)C1 ZINC000339988246 403517622 /nfs/dbraw/zinc/51/76/22/403517622.db2.gz SSANEPIMBUVZKE-IYBDPMFKSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H](Cc1cnccn1)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000340437069 403615029 /nfs/dbraw/zinc/61/50/29/403615029.db2.gz SDFJBRUFAWSGOP-OAHLLOKOSA-N 1 3 314.433 2.138 20 0 DEADHO CCN1CC[C@H]([NH2+]Cc2cccc(C(=O)N(C)C)c2)[C@H](C)C1 ZINC000347215524 403624352 /nfs/dbraw/zinc/62/43/52/403624352.db2.gz YGPSAMHDMDOSNI-PBHICJAKSA-N 1 3 303.450 2.208 20 0 DEADHO CCN1CCN(Cc2ccc(C[NH2+]C3CC(OC)C3)cc2)CC1 ZINC000347309401 403658533 /nfs/dbraw/zinc/65/85/33/403658533.db2.gz VUOZPOAYICXQGM-UHFFFAOYSA-N 1 3 317.477 2.091 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCCN1C ZINC000343613539 403663541 /nfs/dbraw/zinc/66/35/41/403663541.db2.gz GPOMPTQALKYKLS-OCCSQVGLSA-N 1 3 310.486 2.078 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)N[C@H]2CCCN(C)[C@@H]2C)CC1 ZINC000343801102 403738784 /nfs/dbraw/zinc/73/87/84/403738784.db2.gz QQOWHKXMVZOVQL-SJORKVTESA-N 1 3 324.513 2.280 20 0 DEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)CNC3)C[C@H]1C ZINC000347608578 403772311 /nfs/dbraw/zinc/77/23/11/403772311.db2.gz CPDCGGOTCGTPCX-CXAGYDPISA-N 1 3 301.434 2.235 20 0 DEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)CNC3)C[C@H]1C ZINC000347608578 403772317 /nfs/dbraw/zinc/77/23/17/403772317.db2.gz CPDCGGOTCGTPCX-CXAGYDPISA-N 1 3 301.434 2.235 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000347562680 403753430 /nfs/dbraw/zinc/75/34/30/403753430.db2.gz UALUVCXRRIYBDH-CQSZACIVSA-N 1 3 301.434 2.140 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000347562680 403753434 /nfs/dbraw/zinc/75/34/34/403753434.db2.gz UALUVCXRRIYBDH-CQSZACIVSA-N 1 3 301.434 2.140 20 0 DEADHO Cc1cccc(OC[C@H](O)CN2CCC(C[NH+](C)C)CC2)c1 ZINC000341199512 403824146 /nfs/dbraw/zinc/82/41/46/403824146.db2.gz XDCQNXCONOIIKY-QGZVFWFLSA-N 1 3 306.450 2.008 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(CCC(C)(C)C)CC2)CC[N@@H+]1C ZINC000341206616 403832933 /nfs/dbraw/zinc/83/29/33/403832933.db2.gz SXBYWAIXSQNIBC-CVEARBPZSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(CCC(C)(C)C)CC2)CC[N@H+]1C ZINC000341206616 403832937 /nfs/dbraw/zinc/83/29/37/403832937.db2.gz SXBYWAIXSQNIBC-CVEARBPZSA-N 1 3 324.513 2.233 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000343897580 403781413 /nfs/dbraw/zinc/78/14/13/403781413.db2.gz XDWRQMXRMPKPED-KRWDZBQOSA-N 1 3 303.450 2.096 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000295210760 403797949 /nfs/dbraw/zinc/79/79/49/403797949.db2.gz PYTYFGMFPVAAIS-JFIYKMOQSA-N 1 3 317.477 2.401 20 0 DEADHO [NH3+]C1(CNC(=O)NCCN2CCC3(CCCCC3)CC2)CCC1 ZINC000333779901 403858287 /nfs/dbraw/zinc/85/82/87/403858287.db2.gz KSOJTWGKOGUZMI-UHFFFAOYSA-N 1 3 322.497 2.213 20 0 DEADHO C[C@@H]([NH3+])[C@@H]1CCN(CCC(=O)NCc2ccccc2Cl)C1 ZINC000351854348 403963490 /nfs/dbraw/zinc/96/34/90/403963490.db2.gz QMGNONDKJOVICI-TZMCWYRMSA-N 1 3 309.841 2.015 20 0 DEADHO CCC[C@](C)(N)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309902095 403964281 /nfs/dbraw/zinc/96/42/81/403964281.db2.gz PEQXAMLZKJEDTM-AEFFLSMTSA-N 1 3 303.450 2.142 20 0 DEADHO CCC[C@](C)(N)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309902095 403964292 /nfs/dbraw/zinc/96/42/92/403964292.db2.gz PEQXAMLZKJEDTM-AEFFLSMTSA-N 1 3 303.450 2.142 20 0 DEADHO CCOC[C@H]1CCC[C@H]1[NH2+]Cc1ccnc(OCCN(C)C)c1 ZINC000354651815 403928192 /nfs/dbraw/zinc/92/81/92/403928192.db2.gz QUVFBBCEUISUNG-IAGOWNOFSA-N 1 3 321.465 2.317 20 0 DEADHO CCC[N@H+](CC[C@H]1CCCCO1)CCN1CCN(CC)CC1 ZINC000344146403 403939409 /nfs/dbraw/zinc/93/94/09/403939409.db2.gz PVLDEMWEGHKFGA-GOSISDBHSA-N 1 3 311.514 2.295 20 0 DEADHO CCC[N@@H+](CC[C@H]1CCCCO1)CCN1CCN(CC)CC1 ZINC000344146403 403939415 /nfs/dbraw/zinc/93/94/15/403939415.db2.gz PVLDEMWEGHKFGA-GOSISDBHSA-N 1 3 311.514 2.295 20 0 DEADHO CCC[N@@H+](CCc1cncs1)CCN1CCN(CC)CC1 ZINC000411732883 403953595 /nfs/dbraw/zinc/95/35/95/403953595.db2.gz FDULGBANXXKKKU-UHFFFAOYSA-N 1 3 310.511 2.035 20 0 DEADHO CCC[N@H+](CCc1cncs1)CCN1CCN(CC)CC1 ZINC000411732883 403953603 /nfs/dbraw/zinc/95/36/03/403953603.db2.gz FDULGBANXXKKKU-UHFFFAOYSA-N 1 3 310.511 2.035 20 0 DEADHO Cn1cc([C@@H](O)C[C@@H]2CCCN2CC[C@H]2CCCC[N@@H+]2C)cn1 ZINC000369255735 404023520 /nfs/dbraw/zinc/02/35/20/404023520.db2.gz WQMKSZLLEPZTQH-SQNIBIBYSA-N 1 3 320.481 2.182 20 0 DEADHO Cn1cc([C@@H](O)C[C@@H]2CCCN2CC[C@H]2CCCC[N@H+]2C)cn1 ZINC000369255735 404023525 /nfs/dbraw/zinc/02/35/25/404023525.db2.gz WQMKSZLLEPZTQH-SQNIBIBYSA-N 1 3 320.481 2.182 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CNCc2ccccc21)C[NH+]1CCCCC1 ZINC000321320176 404074885 /nfs/dbraw/zinc/07/48/85/404074885.db2.gz OGNWMMQQIAVYLT-CRAIPNDOSA-N 1 3 315.461 2.112 20 0 DEADHO CC(C)N1CCN(C2CC[NH+](C[C@@H]3CCC=CO3)CC2)CC1 ZINC000369325865 404046844 /nfs/dbraw/zinc/04/68/44/404046844.db2.gz ARYMFFIBDHXHNW-SFHVURJKSA-N 1 3 307.482 2.170 20 0 DEADHO COCC[N@H+](C)CCCC1CCN(Cc2cccnc2N)CC1 ZINC000290171296 404068327 /nfs/dbraw/zinc/06/83/27/404068327.db2.gz YKHAMJUTJGRSQG-UHFFFAOYSA-N 1 3 320.481 2.234 20 0 DEADHO COCC[N@@H+](C)CCCC1CCN(Cc2cccnc2N)CC1 ZINC000290171296 404068336 /nfs/dbraw/zinc/06/83/36/404068336.db2.gz YKHAMJUTJGRSQG-UHFFFAOYSA-N 1 3 320.481 2.234 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000290182361 404072428 /nfs/dbraw/zinc/07/24/28/404072428.db2.gz PRAZRFJCDWVSHC-WBVHZDCISA-N 1 3 321.440 2.104 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)NC1CC1)Cc1ccccc1 ZINC000296374235 404218667 /nfs/dbraw/zinc/21/86/67/404218667.db2.gz KBNVMSATEWNVTO-QAPCUYQASA-N 1 3 317.477 2.196 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+](CC)CCOC)CC1 ZINC000349862107 404233055 /nfs/dbraw/zinc/23/30/55/404233055.db2.gz TUKARUASELONGW-UHFFFAOYSA-N 1 3 305.466 2.297 20 0 DEADHO COCCOc1cccc(CN2CCC(C[NH+](C)C)CC2)c1 ZINC000350149885 404331845 /nfs/dbraw/zinc/33/18/45/404331845.db2.gz VMKXAQKTLXZUEO-UHFFFAOYSA-N 1 3 306.450 2.485 20 0 DEADHO c1[nH]c2nccnc2c1C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000290853716 404338637 /nfs/dbraw/zinc/33/86/37/404338637.db2.gz JWUWWRZHTFGYPJ-UHFFFAOYSA-N 1 3 322.416 2.359 20 0 DEADHO C[C@@H]1CN(CCC2CC[NH+](CCC(C)(C)O)CC2)C[C@H](C)O1 ZINC000370215298 404369715 /nfs/dbraw/zinc/36/97/15/404369715.db2.gz KYQPGNOXASJPBT-IYBDPMFKSA-N 1 3 312.498 2.359 20 0 DEADHO C[N@@H+]1CCCC[C@H]1CCN1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000364433531 404392048 /nfs/dbraw/zinc/39/20/48/404392048.db2.gz HAXFLBHZPXEDHX-HNAYVOBHSA-N 1 3 313.445 2.457 20 0 DEADHO C[N@H+]1CCCC[C@H]1CCN1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000364433531 404392053 /nfs/dbraw/zinc/39/20/53/404392053.db2.gz HAXFLBHZPXEDHX-HNAYVOBHSA-N 1 3 313.445 2.457 20 0 DEADHO C[C@H](CC(=O)N1CCCCCC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000370676325 404403111 /nfs/dbraw/zinc/40/31/11/404403111.db2.gz JMXIWAWQDKVAIA-BRWVUGGUSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@H](CC(=O)N1CCCCCC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000370676325 404403119 /nfs/dbraw/zinc/40/31/19/404403119.db2.gz JMXIWAWQDKVAIA-BRWVUGGUSA-N 1 3 307.482 2.384 20 0 DEADHO [NH3+]CC[C@H]1CCCCN1CCC(=O)N1CCc2ccccc21 ZINC000352511535 404424893 /nfs/dbraw/zinc/42/48/93/404424893.db2.gz SADMPKFRHSDYRM-MRXNPFEDSA-N 1 3 301.434 2.169 20 0 DEADHO COCc1ccccc1/C=C(\C)C[NH2+]CC1(O)CCN(C)CC1 ZINC000352625130 404498321 /nfs/dbraw/zinc/49/83/21/404498321.db2.gz DPSYDPLSFPFEES-FOWTUZBSSA-N 1 3 318.461 2.283 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000351069040 404508259 /nfs/dbraw/zinc/50/82/59/404508259.db2.gz ZTDCJZQUJAPICG-DLBZAZTESA-N 1 3 322.497 2.131 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000351069040 404508264 /nfs/dbraw/zinc/50/82/64/404508264.db2.gz ZTDCJZQUJAPICG-DLBZAZTESA-N 1 3 322.497 2.131 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000342342909 404521120 /nfs/dbraw/zinc/52/11/20/404521120.db2.gz YMGFZJMMRNZFAJ-RHSMWYFYSA-N 1 3 322.497 2.081 20 0 DEADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000342342910 404522168 /nfs/dbraw/zinc/52/21/68/404522168.db2.gz YMGFZJMMRNZFAJ-WMLDXEAASA-N 1 3 322.497 2.081 20 0 DEADHO O=S1(=O)CCCC[C@H]1CN[C@@H]1CCCc2c(O)cccc21 ZINC000329749061 404438881 /nfs/dbraw/zinc/43/88/81/404438881.db2.gz TZZQYLGDWHUHNU-SWLSCSKDSA-N 1 3 309.431 2.327 20 0 DEADHO O=S1(=O)CCCC[C@H]1C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000329749061 404438889 /nfs/dbraw/zinc/43/88/89/404438889.db2.gz TZZQYLGDWHUHNU-SWLSCSKDSA-N 1 3 309.431 2.327 20 0 DEADHO CC(C)(C)n1cnc(C(=O)NC2CC[NH+](C3CCCC3)CC2)n1 ZINC000329746062 404439284 /nfs/dbraw/zinc/43/92/84/404439284.db2.gz RQGNYTPCAVAEKD-UHFFFAOYSA-N 1 3 319.453 2.170 20 0 DEADHO C[C@@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1[C@H](C)CC[C@H]1C ZINC000342465258 404595095 /nfs/dbraw/zinc/59/50/95/404595095.db2.gz PBSLMQOMKBYFMM-QNGFNYMWSA-N 1 3 307.482 2.331 20 0 DEADHO C[C@@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1[C@H](C)CC[C@H]1C ZINC000342465258 404595100 /nfs/dbraw/zinc/59/51/00/404595100.db2.gz PBSLMQOMKBYFMM-QNGFNYMWSA-N 1 3 307.482 2.331 20 0 DEADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(C(=O)N(C)C)cc2)C1 ZINC000292065895 404652895 /nfs/dbraw/zinc/65/28/95/404652895.db2.gz HBUXFJHIIIQJCI-HUUCEWRRSA-N 1 3 303.450 2.381 20 0 DEADHO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)N1CCC(C[NH+](C)C)CC1 ZINC000356569504 404597512 /nfs/dbraw/zinc/59/75/12/404597512.db2.gz MQPIHXTYWNSLGJ-HRCADAONSA-N 1 3 309.498 2.438 20 0 DEADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CCN(C)C)Cc1ccccn1 ZINC000356586365 404607635 /nfs/dbraw/zinc/60/76/35/404607635.db2.gz BHJQFTNBEHNMRK-HNNXBMFYSA-N 1 3 320.481 2.139 20 0 DEADHO [NH3+][C@@H]1CC[C@@H]2CN(CCC(=O)NCc3ccccc3Cl)C[C@H]12 ZINC000351497859 404612212 /nfs/dbraw/zinc/61/22/12/404612212.db2.gz VAYDFFJDZRQKNW-IJEWVQPXSA-N 1 3 321.852 2.015 20 0 DEADHO OCC1([NH2+][C@H]2CCN3CCC[C@@H]3C2)C2CC3CC(C2)CC1C3 ZINC000414560754 404680733 /nfs/dbraw/zinc/68/07/33/404680733.db2.gz RKBDVFGNTFPIQX-XCWFVBJVSA-N 1 3 304.478 2.390 20 0 DEADHO Cc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414673877 404705019 /nfs/dbraw/zinc/70/50/19/404705019.db2.gz CZNKYKHLFHOBMD-SJLPKXTDSA-N 1 3 315.461 2.329 20 0 DEADHO Cc1ccc([C@H]2CCC[N@H+]2C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414673877 404705023 /nfs/dbraw/zinc/70/50/23/404705023.db2.gz CZNKYKHLFHOBMD-SJLPKXTDSA-N 1 3 315.461 2.329 20 0 DEADHO NCC(=O)N1CCC[C@H](C[NH+]2CCC(c3ccccc3)CC2)C1 ZINC000414678286 404706675 /nfs/dbraw/zinc/70/66/75/404706675.db2.gz KFQGRCPJNOLZKV-MRXNPFEDSA-N 1 3 315.461 2.063 20 0 DEADHO CCc1cccnc1[C@H](C)[NH2+]CCCN1CCN(CC)CC1 ZINC000356845857 404706963 /nfs/dbraw/zinc/70/69/63/404706963.db2.gz IOMVUIILWCVOPG-INIZCTEOSA-N 1 3 304.482 2.322 20 0 DEADHO C[C@@H](CC1CCOCC1)C[N@@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000414773583 404730775 /nfs/dbraw/zinc/73/07/75/404730775.db2.gz DNUFASVAUIFMAX-RDJZCZTQSA-N 1 3 310.482 2.127 20 0 DEADHO C[C@@H](CC1CCOCC1)C[N@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000414773583 404730776 /nfs/dbraw/zinc/73/07/76/404730776.db2.gz DNUFASVAUIFMAX-RDJZCZTQSA-N 1 3 310.482 2.127 20 0 DEADHO c1cc(-c2ncc(CNCCCN3CC[NH2+]CC3)s2)cs1 ZINC000414780538 404733250 /nfs/dbraw/zinc/73/32/50/404733250.db2.gz LPLMYTQABWAMGD-UHFFFAOYSA-N 1 3 322.503 2.257 20 0 DEADHO Fc1cc(CNCCCN2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC000414783822 404734123 /nfs/dbraw/zinc/73/41/23/404734123.db2.gz RGAARYUYQRTHCS-UHFFFAOYSA-N 1 3 319.346 2.229 20 0 DEADHO Cc1nn(C)c2ncc(CN3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc12 ZINC000414785592 404734642 /nfs/dbraw/zinc/73/46/42/404734642.db2.gz SVIPQOCZCNRGDE-JKSUJKDBSA-N 1 3 313.449 2.098 20 0 DEADHO c1ccc(OC2CCCC2)c(CNCCCN2CC[NH2+]CC2)c1 ZINC000414786121 404735030 /nfs/dbraw/zinc/73/50/30/404735030.db2.gz WVIMWCRFFICGJJ-UHFFFAOYSA-N 1 3 317.477 2.393 20 0 DEADHO CC(C)N1CCN(C2CC[NH+](C[C@H]3CCSC3)CC2)CC1 ZINC000375750900 404738896 /nfs/dbraw/zinc/73/88/96/404738896.db2.gz XETMDZCAADXGNE-MRXNPFEDSA-N 1 3 311.539 2.230 20 0 DEADHO CCC(N)(CC)C[NH2+][C@H](C)Cn1cc(Br)cn1 ZINC000414807247 404739349 /nfs/dbraw/zinc/73/93/49/404739349.db2.gz IVXSVALEYPXZTJ-SNVBAGLBSA-N 1 3 303.248 2.141 20 0 DEADHO COc1cc2c(c(CNCC[C@H]3CCC[NH2+]C3)c1)O[C@H](C)C2 ZINC000414849259 404748711 /nfs/dbraw/zinc/74/87/11/404748711.db2.gz LJCKZLVHIGVJJG-ZIAGYGMSSA-N 1 3 304.434 2.498 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)N[C@H](C[NH3+])CC(C)C)cc1 ZINC000414856694 404749395 /nfs/dbraw/zinc/74/93/95/404749395.db2.gz ZIZHGYCLOOMVHF-ZFWWWQNUSA-N 1 3 307.438 2.375 20 0 DEADHO COc1ccc(CNC[C@H](C)C[NH3+])cc1OCc1cccnc1 ZINC000414882763 404757070 /nfs/dbraw/zinc/75/70/70/404757070.db2.gz UGKFGXLRSPOTSU-CQSZACIVSA-N 1 3 315.417 2.354 20 0 DEADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CC1(N)CCC1 ZINC000414885719 404758191 /nfs/dbraw/zinc/75/81/91/404758191.db2.gz XHFAGHAHMIKGOL-UHFFFAOYSA-N 1 3 318.373 2.199 20 0 DEADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@@H](N)C1CC1 ZINC000414895087 404761125 /nfs/dbraw/zinc/76/11/25/404761125.db2.gz VWRDRTBJEWJAIT-CYBMUJFWSA-N 1 3 318.373 2.055 20 0 DEADHO C[C@@H]1CCC[C@@H](NC(=O)CN2CCC3(C2)CC[NH2+]CC3)[C@H]1C ZINC000358501872 404765262 /nfs/dbraw/zinc/76/52/62/404765262.db2.gz BGDXTZHKLLCVLB-OWCLPIDISA-N 1 3 307.482 2.003 20 0 DEADHO C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414683060 404708011 /nfs/dbraw/zinc/70/80/11/404708011.db2.gz SIPDFOZSAQTVIY-KGLIPLIRSA-N 1 3 307.413 2.016 20 0 DEADHO C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414683060 404708013 /nfs/dbraw/zinc/70/80/13/404708013.db2.gz SIPDFOZSAQTVIY-KGLIPLIRSA-N 1 3 307.413 2.016 20 0 DEADHO CC[C@@H]1c2ccsc2CC[N@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414701005 404711108 /nfs/dbraw/zinc/71/11/08/404711108.db2.gz JZCXKBYRVPHFEX-DZGCQCFKSA-N 1 3 321.490 2.255 20 0 DEADHO CC[C@@H]1c2ccsc2CC[N@@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414701005 404711110 /nfs/dbraw/zinc/71/11/10/404711110.db2.gz JZCXKBYRVPHFEX-DZGCQCFKSA-N 1 3 321.490 2.255 20 0 DEADHO COCC1(CNCc2cc(F)c(F)c(F)c2)CC[NH2+]CC1 ZINC000414969666 404778586 /nfs/dbraw/zinc/77/85/86/404778586.db2.gz HCQFMVOEYQNVNN-UHFFFAOYSA-N 1 3 302.340 2.210 20 0 DEADHO FC(F)(F)[C@@H](CNCc1cccc(Cl)c1)N1CC[NH2+]CC1 ZINC000414991616 404782609 /nfs/dbraw/zinc/78/26/09/404782609.db2.gz SOHJNERPYVBEKN-CYBMUJFWSA-N 1 3 321.774 2.266 20 0 DEADHO C[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000415013580 404787859 /nfs/dbraw/zinc/78/78/59/404787859.db2.gz YMPUTCOVCGGINO-QILLFSRXSA-N 1 3 316.424 2.394 20 0 DEADHO C[C@@H](Cn1cccn1)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415013580 404787861 /nfs/dbraw/zinc/78/78/61/404787861.db2.gz YMPUTCOVCGGINO-QILLFSRXSA-N 1 3 316.424 2.394 20 0 DEADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)[C@H](C1CC1)N1CCCC1 ZINC000359294167 404789094 /nfs/dbraw/zinc/78/90/94/404789094.db2.gz BEDQNXIITVPRGV-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO [NH3+]C[C@H]1CC[C@@H](NCc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000415046842 404795533 /nfs/dbraw/zinc/79/55/33/404795533.db2.gz VKBGZWGXHOFTRU-GXSJLCMTSA-N 1 3 314.332 2.234 20 0 DEADHO Cc1cc(F)ccc1CN1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000415102472 404808337 /nfs/dbraw/zinc/80/83/37/404808337.db2.gz CHHJVUHWGYXXRR-MRXNPFEDSA-N 1 3 303.385 2.021 20 0 DEADHO C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccc(Cl)cc1 ZINC000415116283 404810420 /nfs/dbraw/zinc/81/04/20/404810420.db2.gz FGOAIEJRSYMADW-OLZOCXBDSA-N 1 3 309.841 2.188 20 0 DEADHO Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(=O)CN)C2)c(C)s1 ZINC000415127203 404813714 /nfs/dbraw/zinc/81/37/14/404813714.db2.gz VLIGNUKDELSTGN-OCCSQVGLSA-N 1 3 309.479 2.213 20 0 DEADHO CC(=O)N1CC[C@H]([NH2+]CC2=CCN(C)CC2)c2ccccc2C1 ZINC000376179519 404814368 /nfs/dbraw/zinc/81/43/68/404814368.db2.gz BAMPKQUWHKIHTK-IBGZPJMESA-N 1 3 313.445 2.331 20 0 DEADHO COc1cccc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000415129991 404814994 /nfs/dbraw/zinc/81/49/94/404814994.db2.gz WBCGPNKXZISHRT-SJLPKXTDSA-N 1 3 304.434 2.414 20 0 DEADHO N[C@@H]1CCC[C@@H]([NH2+]CCCC(=O)N2CCc3ccccc32)C1 ZINC000568248203 292325937 /nfs/dbraw/zinc/32/59/37/292325937.db2.gz KHJQOUOOVMOALO-HZPDHXFCSA-N 1 3 301.434 2.215 20 0 DEADHO COC[C@@]1(C[NH2+][C@@H](C)CCc2n[nH]c3ccccc32)CCCN1 ZINC000414948212 404773491 /nfs/dbraw/zinc/77/34/91/404773491.db2.gz WVPAFPATXKSVLS-KSSFIOAISA-N 1 3 316.449 2.242 20 0 DEADHO C[NH+](C)CCc1ccccc1NC(=O)C12CCCN1CCC2 ZINC000415509464 404874430 /nfs/dbraw/zinc/87/44/30/404874430.db2.gz WLYDDXPMJIKEMJ-UHFFFAOYSA-N 1 3 301.434 2.358 20 0 DEADHO C[NH+]1CCC(C)(CNC(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000434351822 404885322 /nfs/dbraw/zinc/88/53/22/404885322.db2.gz LNCOVWBANUORRL-INIZCTEOSA-N 1 3 322.497 2.034 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000415585382 404889417 /nfs/dbraw/zinc/88/94/17/404889417.db2.gz XJBONCRBJUCOHI-HOCLYGCPSA-N 1 3 318.465 2.430 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)NC(C)(C)CCC[NH3+] ZINC000415582117 404889426 /nfs/dbraw/zinc/88/94/26/404889426.db2.gz TWYOZYTYOYGLOV-UHFFFAOYSA-N 1 3 306.454 2.430 20 0 DEADHO CC(C)C[C@H](C[NH3+])NC(=O)Nc1ccccc1CCN(C)C ZINC000415588449 404890566 /nfs/dbraw/zinc/89/05/66/404890566.db2.gz ZRCAIQIJYXURHE-OAHLLOKOSA-N 1 3 306.454 2.286 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000353476006 404840644 /nfs/dbraw/zinc/84/06/44/404840644.db2.gz YSHIEZYERUBDRU-AYBZRNKSSA-N 1 3 315.461 2.328 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000360897405 404847440 /nfs/dbraw/zinc/84/74/40/404847440.db2.gz XVPFHSKVLBPKTG-CVEARBPZSA-N 1 3 312.502 2.090 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000360897405 404847442 /nfs/dbraw/zinc/84/74/42/404847442.db2.gz XVPFHSKVLBPKTG-CVEARBPZSA-N 1 3 312.502 2.090 20 0 DEADHO CCc1nocc1CN(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000353503807 404850772 /nfs/dbraw/zinc/85/07/72/404850772.db2.gz PXHKDQSGGFZNEQ-MRXNPFEDSA-N 1 3 308.470 2.085 20 0 DEADHO CCc1nocc1CN(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000353503807 404850773 /nfs/dbraw/zinc/85/07/73/404850773.db2.gz PXHKDQSGGFZNEQ-MRXNPFEDSA-N 1 3 308.470 2.085 20 0 DEADHO CCN1CCN(CCCC[NH2+]Cc2cn(C(C)C)nc2C)CC1 ZINC000360988534 404870393 /nfs/dbraw/zinc/87/03/93/404870393.db2.gz ZDXRBOJVYRVDNO-UHFFFAOYSA-N 1 3 321.513 2.280 20 0 DEADHO C[C@@H]1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C[C@H]1C[NH3+] ZINC000424008018 404968957 /nfs/dbraw/zinc/96/89/57/404968957.db2.gz GXLQJJOWPQPYAU-NXHRZFHOSA-N 1 3 315.461 2.094 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000416801875 404917653 /nfs/dbraw/zinc/91/76/53/404917653.db2.gz HCYGSLNATZBZSQ-UAGQMJEPSA-N 1 3 318.465 2.201 20 0 DEADHO COc1ccc([C@H](C)NCCOCC[NH+](C)C)c(C)c1OC ZINC000353682414 404918302 /nfs/dbraw/zinc/91/83/02/404918302.db2.gz CYVFETDEVXEIJM-AWEZNQCLSA-N 1 3 310.438 2.241 20 0 DEADHO NC1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCCCC1 ZINC000423898291 404918484 /nfs/dbraw/zinc/91/84/84/404918484.db2.gz ICXDPEWNLVHMIQ-GOEBONIOSA-N 1 3 305.466 2.123 20 0 DEADHO NC1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCCCC1 ZINC000423898291 404918488 /nfs/dbraw/zinc/91/84/88/404918488.db2.gz ICXDPEWNLVHMIQ-GOEBONIOSA-N 1 3 305.466 2.123 20 0 DEADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000361108744 404921918 /nfs/dbraw/zinc/92/19/18/404921918.db2.gz KUSFTGGCAXNVCU-MISYRCLQSA-N 1 3 315.505 2.481 20 0 DEADHO CC[C@@H](CNC(=O)CC[C@@H](C)[NH3+])N1CCc2ccccc2C1 ZINC000434671160 404922317 /nfs/dbraw/zinc/92/23/17/404922317.db2.gz GLFWGTQAWJJULM-PBHICJAKSA-N 1 3 303.450 2.067 20 0 DEADHO CC(C)[C@H](CNC(=O)CC[C@@H](C)[NH3+])N1CCc2ccccc2C1 ZINC000434689694 404924724 /nfs/dbraw/zinc/92/47/24/404924724.db2.gz CBUAFTFFZPWHKW-QAPCUYQASA-N 1 3 317.477 2.313 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]([NH2+]C)C1)c1ccccc1 ZINC000416842217 404931930 /nfs/dbraw/zinc/93/19/30/404931930.db2.gz MWPCVWKWHABVOI-IAGOWNOFSA-N 1 3 318.465 2.073 20 0 DEADHO C[C@@H](C(=O)N1C[C@@H]([NH3+])Cc2ccccc21)N1CCCCCC1 ZINC000424086508 405001420 /nfs/dbraw/zinc/00/14/20/405001420.db2.gz ZGPMQOXROVVMDN-HOCLYGCPSA-N 1 3 301.434 2.168 20 0 DEADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc4c(c3)CNC4)C2)C1 ZINC000416002877 405002715 /nfs/dbraw/zinc/00/27/15/405002715.db2.gz DNKSFVIIEKVEMU-SFHVURJKSA-N 1 3 314.433 2.239 20 0 DEADHO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc4c(c3)CNC4)C2)C1 ZINC000416002877 405002722 /nfs/dbraw/zinc/00/27/22/405002722.db2.gz DNKSFVIIEKVEMU-SFHVURJKSA-N 1 3 314.433 2.239 20 0 DEADHO C[C@@H](CNC(=O)NC[C@H](N)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000417023256 405007417 /nfs/dbraw/zinc/00/74/17/405007417.db2.gz VVPXCRHLYIXXDN-VYDXJSESSA-N 1 3 318.465 2.106 20 0 DEADHO C[C@@H](CNC(=O)NC[C@H](N)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000417023256 405007421 /nfs/dbraw/zinc/00/74/21/405007421.db2.gz VVPXCRHLYIXXDN-VYDXJSESSA-N 1 3 318.465 2.106 20 0 DEADHO CCC[NH2+]CCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000417042111 405014911 /nfs/dbraw/zinc/01/49/11/405014911.db2.gz WRMQPJNRMUDKRN-QGZVFWFLSA-N 1 3 318.465 2.122 20 0 DEADHO [NH3+][C@H](CCC(=O)N1CCN2CCC[C@@H]2C1)CC1CCCCC1 ZINC000424142909 405019194 /nfs/dbraw/zinc/01/91/94/405019194.db2.gz IYOIOVKSHYUGBU-IAGOWNOFSA-N 1 3 307.482 2.371 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2C[C@@H]2N)C1 ZINC000424138725 405019501 /nfs/dbraw/zinc/01/95/01/405019501.db2.gz URJHPKNWGCRHFI-NONVJHHQSA-N 1 3 315.461 2.128 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@@H]2C[C@@H]2N)C1 ZINC000424138725 405019505 /nfs/dbraw/zinc/01/95/05/405019505.db2.gz URJHPKNWGCRHFI-NONVJHHQSA-N 1 3 315.461 2.128 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCN[C@H](C)[C@@H]2C)C1 ZINC000417051472 405021464 /nfs/dbraw/zinc/02/14/64/405021464.db2.gz ZXYLIMLHTBMNGE-TWMKSMIVSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCN[C@H](C)[C@@H]2C)C1 ZINC000417051472 405021468 /nfs/dbraw/zinc/02/14/68/405021468.db2.gz ZXYLIMLHTBMNGE-TWMKSMIVSA-N 1 3 324.513 2.136 20 0 DEADHO CN(C)Cc1cccc(CNC(=O)NCCC[C@H]2CCC[NH2+]2)c1 ZINC000417060153 405023508 /nfs/dbraw/zinc/02/35/08/405023508.db2.gz CWAPJZFHAMESSA-QGZVFWFLSA-N 1 3 318.465 2.080 20 0 DEADHO C[C@H](C[C@H]1COCCN1)[NH2+]CC[C@H](C)N(C)Cc1ccccc1 ZINC000379651143 405027216 /nfs/dbraw/zinc/02/72/16/405027216.db2.gz UEXGFAVIAUKNEF-AOIWGVFYSA-N 1 3 319.493 2.254 20 0 DEADHO C[C@@H](CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)N(C)C1CC1 ZINC000435926796 405028771 /nfs/dbraw/zinc/02/87/71/405028771.db2.gz KTOBENRIAWRQFK-YOEHRIQHSA-N 1 3 303.450 2.278 20 0 DEADHO COC(=O)COc1c(C)cc(CN2C[C@@H](C[NH3+])C[C@H]2C)cc1C ZINC000435372556 404974584 /nfs/dbraw/zinc/97/45/84/404974584.db2.gz RXMMWRCCPDGRFA-GDBMZVCRSA-N 1 3 320.433 2.024 20 0 DEADHO CCCN1CCN(c2ccccc2CN2CCC[NH2+]CC2)CC1 ZINC000435376128 404975779 /nfs/dbraw/zinc/97/57/79/404975779.db2.gz PSAHOJMSACKZQZ-UHFFFAOYSA-N 1 3 316.493 2.014 20 0 DEADHO COC1CCN(C2(C[NH2+][C@@H]3CCN(C)[C@H](C)C3)CCCC2)CC1 ZINC000361221721 404980245 /nfs/dbraw/zinc/98/02/45/404980245.db2.gz UYPIKZQCDYFHNW-IAGOWNOFSA-N 1 3 323.525 2.482 20 0 DEADHO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C[C@H](N)c2ccccc2)CC1 ZINC000424045445 404982768 /nfs/dbraw/zinc/98/27/68/404982768.db2.gz UGVFNGLOFBLJIV-WMZOPIPTSA-N 1 3 315.461 2.313 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415962484 404985322 /nfs/dbraw/zinc/98/53/22/404985322.db2.gz SUPYTSJWDPETRF-UHFFFAOYSA-N 1 3 304.438 2.485 20 0 DEADHO CCN(CC)[C@H](CNC(=O)NCC1([NH3+])CCC1)c1ccsc1 ZINC000417011495 405000364 /nfs/dbraw/zinc/00/03/64/405000364.db2.gz RZNGTQHCVWLHMY-CQSZACIVSA-N 1 3 324.494 2.312 20 0 DEADHO C[C@H](C[NH3+])N(C)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000417737743 405094965 /nfs/dbraw/zinc/09/49/65/405094965.db2.gz OEGXUBLDXJAEJK-NFAWXSAZSA-N 1 3 324.494 2.120 20 0 DEADHO CC[C@]1(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)CCC[NH2+]1 ZINC000389856463 405040893 /nfs/dbraw/zinc/04/08/93/405040893.db2.gz AEBBJWNVOBPYPI-SZVBFZGTSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C[C@H]2CCN(C)C(=O)C2)CC1 ZINC000424323123 405068786 /nfs/dbraw/zinc/06/87/86/405068786.db2.gz KNFZCFBXWBKBMY-RYRKJORJSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@H]2CCN(C)C(=O)C2)CC1 ZINC000424323123 405068793 /nfs/dbraw/zinc/06/87/93/405068793.db2.gz KNFZCFBXWBKBMY-RYRKJORJSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)C[C@@H]1CCCCN1C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000404907830 405069801 /nfs/dbraw/zinc/06/98/01/405069801.db2.gz AFRSWAGUFCHOGE-IRXDYDNUSA-N 1 3 303.450 2.409 20 0 DEADHO [NH3+]CCOCCN1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000424329902 405070262 /nfs/dbraw/zinc/07/02/62/405070262.db2.gz HFNUAADCNSHBSS-UHFFFAOYSA-N 1 3 309.479 2.177 20 0 DEADHO CCOC(=O)c1ccc(CN2CC3(C[C@H]2C)CC[NH2+]CC3)o1 ZINC000424381557 405079114 /nfs/dbraw/zinc/07/91/14/405079114.db2.gz RBWSFRCUCITKFQ-CYBMUJFWSA-N 1 3 306.406 2.420 20 0 DEADHO C[C@@H]1CCN(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)[C@H](C[NH3+])C1 ZINC000417526844 405089870 /nfs/dbraw/zinc/08/98/70/405089870.db2.gz CQVOHEIMDOSFIS-WCVJEAGWSA-N 1 3 310.486 2.018 20 0 DEADHO C[C@H](CNC(=O)N(CCC[NH3+])CC1CCCC1)N(C)C1CC1 ZINC000417551056 405092271 /nfs/dbraw/zinc/09/22/71/405092271.db2.gz NJAYSHPFWWQVQL-CQSZACIVSA-N 1 3 310.486 2.020 20 0 DEADHO CCCC[C@@H](C[NH3+])NC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000418437470 405127671 /nfs/dbraw/zinc/12/76/71/405127671.db2.gz CXWXXCFUHOIBTR-GJZGRUSLSA-N 1 3 310.486 2.020 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@@H](C[NH3+])CC(C)C)c1ccco1 ZINC000418169893 405115072 /nfs/dbraw/zinc/11/50/72/405115072.db2.gz QUJNADLUOILUFA-ZNMIVQPWSA-N 1 3 324.469 2.381 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000418242841 405118498 /nfs/dbraw/zinc/11/84/98/405118498.db2.gz VKGSLYAHUSDTAL-BBWFWOEESA-N 1 3 324.513 2.123 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000418245538 405119127 /nfs/dbraw/zinc/11/91/27/405119127.db2.gz YIOFVTDTJBVKQQ-IKGGRYGDSA-N 1 3 324.513 2.184 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418343589 405122474 /nfs/dbraw/zinc/12/24/74/405122474.db2.gz RFKNEPNJZVHOLB-QGZVFWFLSA-N 1 3 324.513 2.284 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCCC[C@H]2C[NH3+])cc1 ZINC000418357702 405124289 /nfs/dbraw/zinc/12/42/89/405124289.db2.gz RESXHUPJRPVBHQ-DLBZAZTESA-N 1 3 318.465 2.333 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418604163 405136153 /nfs/dbraw/zinc/13/61/53/405136153.db2.gz XIBWZLASWLFFOE-SJORKVTESA-N 1 3 318.465 2.066 20 0 DEADHO C[C@@H](CCC[NH3+])NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000418695525 405170418 /nfs/dbraw/zinc/17/04/18/405170418.db2.gz YEAPZLXSNHFDKR-AWEZNQCLSA-N 1 3 324.444 2.026 20 0 DEADHO CC[C@@H]([NH3+])CNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418696421 405170486 /nfs/dbraw/zinc/17/04/86/405170486.db2.gz KSHFEMXOYLPGIS-IAGOWNOFSA-N 1 3 318.465 2.030 20 0 DEADHO CC[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccsc1 ZINC000453089684 405283017 /nfs/dbraw/zinc/28/30/17/405283017.db2.gz BLHRSRUYVKCMEZ-ZFWWWQNUSA-N 1 3 309.479 2.376 20 0 DEADHO CCOc1ccccc1NC(=O)CCN[C@](C)(C[NH3+])C1CC1 ZINC000420296613 405309841 /nfs/dbraw/zinc/30/98/41/405309841.db2.gz XGFDMGBUQFIQAZ-QGZVFWFLSA-N 1 3 305.422 2.131 20 0 DEADHO CN(C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@@H]1CCc2ccccc2C1 ZINC000420300946 405311346 /nfs/dbraw/zinc/31/13/46/405311346.db2.gz KTZOZXWKOKYWDV-HKBOAZHASA-N 1 3 324.468 2.407 20 0 DEADHO CCc1nsc(N2CCCN(CC[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000420308035 405313276 /nfs/dbraw/zinc/31/32/76/405313276.db2.gz CIPAVXFNXAZESE-AWEZNQCLSA-N 1 3 323.510 2.002 20 0 DEADHO CCN(CCOc1ccccc1C(=O)OC)[C@@H]1CCC[NH2+]CC1 ZINC000420318092 405317238 /nfs/dbraw/zinc/31/72/38/405317238.db2.gz VSAQATDDMAEDHY-OAHLLOKOSA-N 1 3 320.433 2.316 20 0 DEADHO CN(CC[C@@H]1CC[NH2+]C1)C[C@H](c1cccs1)N1CCOCC1 ZINC000420326435 405320353 /nfs/dbraw/zinc/32/03/53/405320353.db2.gz XMTJRLYHSQKHHL-JKSUJKDBSA-N 1 3 323.506 2.053 20 0 DEADHO O=C1[C@H](N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CCN1c1ccccc1 ZINC000420330552 405322038 /nfs/dbraw/zinc/32/20/38/405322038.db2.gz QCDFZEROVMOZCW-SOLBZPMBSA-N 1 3 313.445 2.113 20 0 DEADHO COC(=O)c1ccc(F)c(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420333295 405323155 /nfs/dbraw/zinc/32/31/55/405323155.db2.gz KGOTVGCMPFKOCT-OKILXGFUSA-N 1 3 306.381 2.044 20 0 DEADHO [NH3+]C[C@@H]1CN(CCCOc2ccccc2)CC12CCOCC2 ZINC000420336750 405324715 /nfs/dbraw/zinc/32/47/15/405324715.db2.gz WFUKZKYSMBOIAL-MRXNPFEDSA-N 1 3 304.434 2.143 20 0 DEADHO NC[C@@H]1C[N@H+](CCCOc2ccccc2)CC12CCOCC2 ZINC000420336750 405324718 /nfs/dbraw/zinc/32/47/18/405324718.db2.gz WFUKZKYSMBOIAL-MRXNPFEDSA-N 1 3 304.434 2.143 20 0 DEADHO NC[C@@H]1C[N@@H+](CCCOc2ccccc2)CC12CCOCC2 ZINC000420336750 405324720 /nfs/dbraw/zinc/32/47/20/405324720.db2.gz WFUKZKYSMBOIAL-MRXNPFEDSA-N 1 3 304.434 2.143 20 0 DEADHO C[C@H]1CCCN(CCNC(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC000454330111 405330185 /nfs/dbraw/zinc/33/01/85/405330185.db2.gz WQVBDURCQVUFNK-HNNXBMFYSA-N 1 3 322.497 2.034 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](C)CN(C)C)c1 ZINC000425932422 405331318 /nfs/dbraw/zinc/33/13/18/405331318.db2.gz QAEUOXRAJFMXBS-KGLIPLIRSA-N 1 3 307.438 2.200 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)NC[C@@H](C)C[NH+](C)C)c1 ZINC000425932422 405331319 /nfs/dbraw/zinc/33/13/19/405331319.db2.gz QAEUOXRAJFMXBS-KGLIPLIRSA-N 1 3 307.438 2.200 20 0 DEADHO NCc1cn([C@H]2CCC[N@H+](CCCc3ccsc3)C2)nn1 ZINC000420390279 405342038 /nfs/dbraw/zinc/34/20/38/405342038.db2.gz ZGGXQGXPBFPPQG-HNNXBMFYSA-N 1 3 305.451 2.068 20 0 DEADHO NCc1cn([C@H]2CCC[N@@H+](CCCc3ccsc3)C2)nn1 ZINC000420390279 405342040 /nfs/dbraw/zinc/34/20/40/405342040.db2.gz ZGGXQGXPBFPPQG-HNNXBMFYSA-N 1 3 305.451 2.068 20 0 DEADHO O=C(NCC1CC[NH+](C2CC2)CC1)[C@@H]1CCCN1C1CCCC1 ZINC000446465684 405383098 /nfs/dbraw/zinc/38/30/98/405383098.db2.gz WGNYHXDFSXWZTC-SFHVURJKSA-N 1 3 319.493 2.384 20 0 DEADHO CCOc1ccc([C@H](C)NCCN2CC[NH2+]CC2)cc1OCC ZINC000423200443 286569010 /nfs/dbraw/zinc/56/90/10/286569010.db2.gz FPBKZWWXOSBGAH-HNNXBMFYSA-N 1 3 321.465 2.040 20 0 DEADHO N[C@@H]1CCCCC[C@H]1[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000577720362 405496995 /nfs/dbraw/zinc/49/69/95/405496995.db2.gz UFAYTRJLCSIEDH-QZTJIDSGSA-N 1 3 302.466 2.296 20 0 DEADHO [NH3+][C@@H]1CCCCC[C@H]1NC1CCN(Cc2ccncc2)CC1 ZINC000577720362 405497003 /nfs/dbraw/zinc/49/70/03/405497003.db2.gz UFAYTRJLCSIEDH-QZTJIDSGSA-N 1 3 302.466 2.296 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCCN(CCc2nc(-c3ccccc3)no2)C1 ZINC000430564255 405458446 /nfs/dbraw/zinc/45/84/46/405458446.db2.gz LCOCIMIZZOGCFK-ZFWWWQNUSA-N 1 3 300.406 2.338 20 0 DEADHO CCc1cccc(OCCN2CCC(OCCC[NH3+])CC2)c1 ZINC000430572123 405459597 /nfs/dbraw/zinc/45/95/97/405459597.db2.gz JEJDXWQAGWXIIH-UHFFFAOYSA-N 1 3 306.450 2.458 20 0 DEADHO CNC(=O)CCN[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638443158 405471812 /nfs/dbraw/zinc/47/18/12/405471812.db2.gz IGISLCHIMHXNDZ-RDJZCZTQSA-N 1 3 301.434 2.080 20 0 DEADHO CNC(=O)CCN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638443158 405471822 /nfs/dbraw/zinc/47/18/22/405471822.db2.gz IGISLCHIMHXNDZ-RDJZCZTQSA-N 1 3 301.434 2.080 20 0 DEADHO CCc1ccc([C@@H](C)NC(=O)[C@@H](C)N2CCC(C[NH3+])CC2)cc1 ZINC000430628266 405472400 /nfs/dbraw/zinc/47/24/00/405472400.db2.gz VFVWWXWNYYDQGX-HUUCEWRRSA-N 1 3 317.477 2.485 20 0 DEADHO CO[C@H](CNC1CC[NH+](CC2CCCC2)CC1)[C@H]1CCOC1 ZINC000638453550 405478509 /nfs/dbraw/zinc/47/85/09/405478509.db2.gz FEZJEGHHRZJNTI-FUHWJXTLSA-N 1 3 310.482 2.282 20 0 DEADHO CO[C@H](C[NH2+]C1CCN(CC2CCCC2)CC1)[C@H]1CCOC1 ZINC000638453550 405478519 /nfs/dbraw/zinc/47/85/19/405478519.db2.gz FEZJEGHHRZJNTI-FUHWJXTLSA-N 1 3 310.482 2.282 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)NC(C)(C)C3CC3)CC2)CC1 ZINC000556719745 405513581 /nfs/dbraw/zinc/51/35/81/405513581.db2.gz VAONHGJWIXAVDN-UHFFFAOYSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000430892407 405522942 /nfs/dbraw/zinc/52/29/42/405522942.db2.gz DWGLPHOOISEMTQ-ALYAQQCSSA-N 1 3 307.482 2.286 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000577863391 405529150 /nfs/dbraw/zinc/52/91/50/405529150.db2.gz BCQSUARBUZWFRH-WMLDXEAASA-N 1 3 303.450 2.095 20 0 DEADHO C[C@H]1CN(CCC(=O)NCc2ccccc2Cl)CC[C@@H]1[NH3+] ZINC000430940151 405537248 /nfs/dbraw/zinc/53/72/48/405537248.db2.gz OANXNZRXLBSVRI-WFASDCNBSA-N 1 3 309.841 2.015 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000458703575 405551586 /nfs/dbraw/zinc/55/15/86/405551586.db2.gz HUSZJDDVQBQCHY-DLBZAZTESA-N 1 3 322.497 2.127 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000458703575 405551588 /nfs/dbraw/zinc/55/15/88/405551588.db2.gz HUSZJDDVQBQCHY-DLBZAZTESA-N 1 3 322.497 2.127 20 0 DEADHO CN(C(=O)[C@@H]1CCN1C1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000635921620 405605157 /nfs/dbraw/zinc/60/51/57/405605157.db2.gz KVPPYZXJDGHLRJ-WFVVYAPDSA-N 1 3 305.466 2.087 20 0 DEADHO CN(C(=O)[C@@H]1CCN1C1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000635921620 405605165 /nfs/dbraw/zinc/60/51/65/405605165.db2.gz KVPPYZXJDGHLRJ-WFVVYAPDSA-N 1 3 305.466 2.087 20 0 DEADHO CO[C@H](CNC1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCCC1 ZINC000638669709 405606892 /nfs/dbraw/zinc/60/68/92/405606892.db2.gz VWROLJKOPDUMDN-MAUKXSAKSA-N 1 3 310.482 2.282 20 0 DEADHO C[NH+](C)CC[C@@H](NCCC(=O)Nc1cccnc1)C(C)(C)C ZINC000568619797 292354058 /nfs/dbraw/zinc/35/40/58/292354058.db2.gz ISDRIUZMDNAIRM-OAHLLOKOSA-N 1 3 306.454 2.366 20 0 DEADHO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CN1CCC(C)(C)C1 ZINC000580464415 405624238 /nfs/dbraw/zinc/62/42/38/405624238.db2.gz OZFVWTVGCMJFNQ-MRXNPFEDSA-N 1 3 317.477 2.355 20 0 DEADHO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CN1CCC(C)(C)C1 ZINC000580464415 405624240 /nfs/dbraw/zinc/62/42/40/405624240.db2.gz OZFVWTVGCMJFNQ-MRXNPFEDSA-N 1 3 317.477 2.355 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000431063023 405570392 /nfs/dbraw/zinc/57/03/92/405570392.db2.gz WNPUQYNLULCZEQ-DZUCGIPZSA-N 1 3 301.434 2.066 20 0 DEADHO C[NH+](C)CCCCC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000557037293 405572316 /nfs/dbraw/zinc/57/23/16/405572316.db2.gz PPEKOYKGGQPONJ-KRWDZBQOSA-N 1 3 303.450 2.109 20 0 DEADHO O=C(NCC[NH2+]C1CCCCCC1)N1CC[C@@H](N2CCCC2)C1 ZINC000638718499 405632326 /nfs/dbraw/zinc/63/23/26/405632326.db2.gz JOMIHCSOTIEISS-QGZVFWFLSA-N 1 3 322.497 2.179 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000557222135 405586707 /nfs/dbraw/zinc/58/67/07/405586707.db2.gz UEEAWMFKCARWTN-HNNXBMFYSA-N 1 3 310.486 2.020 20 0 DEADHO C[C@H](CC(=O)Nc1ccc2c(c1)OCCNC2)C1CC[NH2+]CC1 ZINC000638665221 405602779 /nfs/dbraw/zinc/60/27/79/405602779.db2.gz AKOSEMDBCVQBHL-CYBMUJFWSA-N 1 3 317.433 2.133 20 0 DEADHO C[C@H]([NH3+])C(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000638664000 405603472 /nfs/dbraw/zinc/60/34/72/405603472.db2.gz KRPYAHWQEODQJF-UFBFGSQYSA-N 1 3 304.221 2.060 20 0 DEADHO CC[NH+]1CCC(N[C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)CC1 ZINC000449654684 405663430 /nfs/dbraw/zinc/66/34/30/405663430.db2.gz FIERGTRFAXWELV-ZACQAIPSSA-N 1 3 320.481 2.454 20 0 DEADHO CCc1ccc([C@H](CNC(=O)NC(C)(C)CC[NH3+])N(C)C)cc1 ZINC000422593362 405672000 /nfs/dbraw/zinc/67/20/00/405672000.db2.gz PVZKQKJEXPQXSE-INIZCTEOSA-N 1 3 320.481 2.278 20 0 DEADHO CC(C)(CC[NH3+])NC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000422604485 405673003 /nfs/dbraw/zinc/67/30/03/405673003.db2.gz BZEPXEQRGYNXMX-MRXNPFEDSA-N 1 3 314.433 2.266 20 0 DEADHO Cc1cc(N2CCC([NH2+][C@@H]3CCCC[C@H]3CN)CC2)nc(C)n1 ZINC000422840228 405686373 /nfs/dbraw/zinc/68/63/73/405686373.db2.gz SJDCQTMQMMCHBG-DOTOQJQBSA-N 1 3 317.481 2.169 20 0 DEADHO CC[C@H](CS(=O)(=O)c1ccccc1)N[C@H](C)CCCC[NH3+] ZINC000423006956 405695848 /nfs/dbraw/zinc/69/58/48/405695848.db2.gz WWBUBTMRWKXDMI-HUUCEWRRSA-N 1 3 312.479 2.346 20 0 DEADHO N[C@@H](CC(=O)NCc1cccc2c1CC[NH2+]C2)c1ccccc1 ZINC000638844066 405710021 /nfs/dbraw/zinc/71/00/21/405710021.db2.gz WWOSPHRHEMUNTE-SFHVURJKSA-N 1 3 309.413 2.039 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000638834508 405702684 /nfs/dbraw/zinc/70/26/84/405702684.db2.gz GVJACLJMRXRBGT-IDCNUPLLSA-N 1 3 317.477 2.244 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000638834508 405702692 /nfs/dbraw/zinc/70/26/92/405702692.db2.gz GVJACLJMRXRBGT-IDCNUPLLSA-N 1 3 317.477 2.244 20 0 DEADHO C[C@H](C(=O)NCc1cccc2c1CC[NH2+]C2)[C@@H](N)c1ccccc1 ZINC000638841608 405707818 /nfs/dbraw/zinc/70/78/18/405707818.db2.gz VRNBYYOOQZYYDA-IFXJQAMLSA-N 1 3 323.440 2.285 20 0 DEADHO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000449716858 405707902 /nfs/dbraw/zinc/70/79/02/405707902.db2.gz DCMZVPLWDYLQRT-NXWXRZEISA-N 1 3 318.461 2.291 20 0 DEADHO C[C@@H]1CC[C@H](CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)O1 ZINC000423165694 405708662 /nfs/dbraw/zinc/70/86/62/405708662.db2.gz QCJAHOXZQPGIRV-AHEZYBDSSA-N 1 3 302.418 2.399 20 0 DEADHO CC(C)(CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)S(C)(=O)=O ZINC000423188841 405715752 /nfs/dbraw/zinc/71/57/52/405715752.db2.gz QPLCRYKOMBCBRS-RRFJBIMHSA-N 1 3 316.511 2.100 20 0 DEADHO CC[C@@H](CNC(=O)[C@H]([NH3+])C1CCC1)N1CCc2ccccc2C1 ZINC000423319971 405760605 /nfs/dbraw/zinc/76/06/05/405760605.db2.gz FVCMPVHHCYXNAA-ZWKOTPCHSA-N 1 3 315.461 2.067 20 0 DEADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)CCCC[NH3+] ZINC000582418772 405725627 /nfs/dbraw/zinc/72/56/27/405725627.db2.gz PKMJEZKAMPPAAS-GOSISDBHSA-N 1 3 317.477 2.486 20 0 DEADHO Cn1cc([C@@H](NCC[C@@H]2CC[NH2+]C2)c2cccc(F)c2)cn1 ZINC000423244517 405735398 /nfs/dbraw/zinc/73/53/98/405735398.db2.gz HOCMIZYQXIPLHS-GUYCJALGSA-N 1 3 302.397 2.238 20 0 DEADHO N[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)C1CCC1 ZINC000423309513 405755698 /nfs/dbraw/zinc/75/56/98/405755698.db2.gz LOMUFNYMJYQLGZ-SFHVURJKSA-N 1 3 315.461 2.416 20 0 DEADHO O=C(NCc1ccccc1CN1CCCCC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423311784 405757170 /nfs/dbraw/zinc/75/71/70/405757170.db2.gz QPJZCJKJKHFIRE-MJGOQNOKSA-N 1 3 313.445 2.041 20 0 DEADHO CN1CCO[C@@H]([C@H](NCCCC[NH3+])c2ccc(Cl)cc2)C1 ZINC000423318821 405758483 /nfs/dbraw/zinc/75/84/83/405758483.db2.gz DTWNKEFSSXDEPI-HZPDHXFCSA-N 1 3 311.857 2.040 20 0 DEADHO N[C@@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000423381718 405784207 /nfs/dbraw/zinc/78/42/07/405784207.db2.gz NXRLORKNXCRXTA-WBVHZDCISA-N 1 3 307.482 2.417 20 0 DEADHO N[C@@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000423381718 405784208 /nfs/dbraw/zinc/78/42/08/405784208.db2.gz NXRLORKNXCRXTA-WBVHZDCISA-N 1 3 307.482 2.417 20 0 DEADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C[C@H]2CCSC2)CC1 ZINC000494946847 405787061 /nfs/dbraw/zinc/78/70/61/405787061.db2.gz IVBBITAHCJWGDR-BRWVUGGUSA-N 1 3 311.539 2.230 20 0 DEADHO C[NH+](C)C1CCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)CC1 ZINC000423448845 405808601 /nfs/dbraw/zinc/80/86/01/405808601.db2.gz FQLVUFBXLUAOJT-INIZCTEOSA-N 1 3 303.450 2.265 20 0 DEADHO Cc1c([C@H](C)N[C@H](C)CCC[NH3+])nnn1-c1ccc(F)cc1 ZINC000423471735 405817223 /nfs/dbraw/zinc/81/72/23/405817223.db2.gz ZRLKZFCZIWPHCN-NEPJUHHUSA-N 1 3 305.401 2.493 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)C2)cc1 ZINC000639006773 405818130 /nfs/dbraw/zinc/81/81/30/405818130.db2.gz ZCADOMPRZBLDLE-HZPDHXFCSA-N 1 3 303.450 2.059 20 0 DEADHO CC1CCN([C@H](CNC(=O)C2(C)C[NH2+]C2)c2ccccc2)CC1 ZINC000423340572 405769518 /nfs/dbraw/zinc/76/95/18/405769518.db2.gz BVABKUZEFTZFJL-QGZVFWFLSA-N 1 3 315.461 2.185 20 0 DEADHO C[NH2+]CCc1ccccc1C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000423353049 405772417 /nfs/dbraw/zinc/77/24/17/405772417.db2.gz CEZTXVHUGHFTPU-INIZCTEOSA-N 1 3 317.477 2.299 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000494852149 405774572 /nfs/dbraw/zinc/77/45/72/405774572.db2.gz YPZIEQOZPWOGGG-IRXDYDNUSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000494852149 405774580 /nfs/dbraw/zinc/77/45/80/405774580.db2.gz YPZIEQOZPWOGGG-IRXDYDNUSA-N 1 3 309.498 2.299 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000561159693 405899085 /nfs/dbraw/zinc/89/90/85/405899085.db2.gz RRHAZXKMIDCKNL-HOTGVXAUSA-N 1 3 310.486 2.068 20 0 DEADHO C[C@@H](Cc1ccsc1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000560973734 405882487 /nfs/dbraw/zinc/88/24/87/405882487.db2.gz JOGCQDREIHTABO-AAEUAGOBSA-N 1 3 321.412 2.105 20 0 DEADHO CCN1CCC[C@@H](C[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000459388110 405882609 /nfs/dbraw/zinc/88/26/09/405882609.db2.gz LDERYQMLAFNEIN-INIZCTEOSA-N 1 3 302.466 2.372 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000530950610 405887441 /nfs/dbraw/zinc/88/74/41/405887441.db2.gz RKUKMZMUGOKLLJ-BPQIPLTHSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000530950610 405887443 /nfs/dbraw/zinc/88/74/43/405887443.db2.gz RKUKMZMUGOKLLJ-BPQIPLTHSA-N 1 3 315.461 2.107 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561089983 405889138 /nfs/dbraw/zinc/88/91/38/405889138.db2.gz OSZYHNXMRHTBGE-ZWKOTPCHSA-N 1 3 315.461 2.109 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561089983 405889143 /nfs/dbraw/zinc/88/91/43/405889143.db2.gz OSZYHNXMRHTBGE-ZWKOTPCHSA-N 1 3 315.461 2.109 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC000636327914 405894894 /nfs/dbraw/zinc/89/48/94/405894894.db2.gz BEHYHFOGFDYVHE-MSOLQXFVSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC000636327914 405894904 /nfs/dbraw/zinc/89/49/04/405894904.db2.gz BEHYHFOGFDYVHE-MSOLQXFVSA-N 1 3 315.461 2.027 20 0 DEADHO COc1ccccc1NC(=O)C[C@@H](C)NCCC[NH2+]C1CC1 ZINC000423522011 405838917 /nfs/dbraw/zinc/83/89/17/405838917.db2.gz GYMXHFWRKIPRFA-CYBMUJFWSA-N 1 3 305.422 2.144 20 0 DEADHO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCCNC1CC1 ZINC000423522011 405838921 /nfs/dbraw/zinc/83/89/21/405838921.db2.gz GYMXHFWRKIPRFA-CYBMUJFWSA-N 1 3 305.422 2.144 20 0 DEADHO CCn1ccnc1[C@H]1OCCC[C@@H]1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000639079441 405868264 /nfs/dbraw/zinc/86/82/64/405868264.db2.gz OBKCQUAWHJCNGI-WCVJEAGWSA-N 1 3 306.454 2.195 20 0 DEADHO CCn1ccnc1[C@H]1OCCC[C@@H]1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000639079441 405868273 /nfs/dbraw/zinc/86/82/73/405868273.db2.gz OBKCQUAWHJCNGI-WCVJEAGWSA-N 1 3 306.454 2.195 20 0 DEADHO CCC1([NH+]2CCCC2)CCN(C(=O)C2CCN(C)CC2)CC1 ZINC000633953621 405927166 /nfs/dbraw/zinc/92/71/66/405927166.db2.gz DUWNFGZLACXAMD-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000423744845 405941535 /nfs/dbraw/zinc/94/15/35/405941535.db2.gz LPOQIRHZZVKSMX-IRXDYDNUSA-N 1 3 317.477 2.137 20 0 DEADHO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN ZINC000423758110 405950261 /nfs/dbraw/zinc/95/02/61/405950261.db2.gz JGUCKJRWRHHLLT-UHFFFAOYSA-N 1 3 318.248 2.232 20 0 DEADHO CC(C)N1CCC[C@H](NC(=O)C2C[NH+](C3CCCCC3)C2)C1 ZINC000457753517 405985281 /nfs/dbraw/zinc/98/52/81/405985281.db2.gz UPSIGTNHYGOMOT-INIZCTEOSA-N 1 3 307.482 2.240 20 0 DEADHO CCN1CCC(NC(=O)C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)CC1 ZINC000464882847 406090670 /nfs/dbraw/zinc/09/06/70/406090670.db2.gz LHAJVGKHBONERZ-BFYDXBDKSA-N 1 3 307.482 2.240 20 0 DEADHO CCN1CCC(NC(=O)C[N@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)CC1 ZINC000464882847 406090672 /nfs/dbraw/zinc/09/06/72/406090672.db2.gz LHAJVGKHBONERZ-BFYDXBDKSA-N 1 3 307.482 2.240 20 0 DEADHO CO[C@H](CNC[C@H]1CCC[N@H+](CC2CC2)C1)C1CCOCC1 ZINC000639338337 406054542 /nfs/dbraw/zinc/05/45/42/406054542.db2.gz UIXGPLCNTANINZ-SJLPKXTDSA-N 1 3 310.482 2.140 20 0 DEADHO CO[C@H](CNC[C@H]1CCC[N@@H+](CC2CC2)C1)C1CCOCC1 ZINC000639338337 406054548 /nfs/dbraw/zinc/05/45/48/406054548.db2.gz UIXGPLCNTANINZ-SJLPKXTDSA-N 1 3 310.482 2.140 20 0 DEADHO CO[C@H](C[NH2+]C[C@H]1CCCN(CC2CC2)C1)C1CCOCC1 ZINC000639338337 406054553 /nfs/dbraw/zinc/05/45/53/406054553.db2.gz UIXGPLCNTANINZ-SJLPKXTDSA-N 1 3 310.482 2.140 20 0 DEADHO C[NH+](C)C1CCC(NC(=O)N2CCCN(C(C)(C)C)CC2)CC1 ZINC000518513489 406142935 /nfs/dbraw/zinc/14/29/35/406142935.db2.gz ZLNXKKLUXHZOKH-UHFFFAOYSA-N 1 3 324.513 2.375 20 0 DEADHO CN1CCCC[C@@H]1CC[N@H+](C)CC(C)(C)CN1CCOCC1 ZINC000533560335 406153736 /nfs/dbraw/zinc/15/37/36/406153736.db2.gz QOZUXRCENWOKDM-QGZVFWFLSA-N 1 3 311.514 2.151 20 0 DEADHO CN1CCCC[C@@H]1CC[N@@H+](C)CC(C)(C)CN1CCOCC1 ZINC000533560335 406153740 /nfs/dbraw/zinc/15/37/40/406153740.db2.gz QOZUXRCENWOKDM-QGZVFWFLSA-N 1 3 311.514 2.151 20 0 DEADHO CN(CC[C@H]1CCCC[N@@H+]1C)CC(C)(C)CN1CCOCC1 ZINC000533560335 406153745 /nfs/dbraw/zinc/15/37/45/406153745.db2.gz QOZUXRCENWOKDM-QGZVFWFLSA-N 1 3 311.514 2.151 20 0 DEADHO CN(CC[C@H]1CCCC[N@H+]1C)CC(C)(C)CN1CCOCC1 ZINC000533560335 406153748 /nfs/dbraw/zinc/15/37/48/406153748.db2.gz QOZUXRCENWOKDM-QGZVFWFLSA-N 1 3 311.514 2.151 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCCN(C)C1 ZINC000518716845 406153997 /nfs/dbraw/zinc/15/39/97/406153997.db2.gz MRMRMWJQSYLPLE-SJORKVTESA-N 1 3 324.513 2.282 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCCN(C)C1 ZINC000518716845 406153999 /nfs/dbraw/zinc/15/39/99/406153999.db2.gz MRMRMWJQSYLPLE-SJORKVTESA-N 1 3 324.513 2.282 20 0 DEADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc(OC)cc2F)CC1 ZINC000568030038 406182414 /nfs/dbraw/zinc/18/24/14/406182414.db2.gz FNQWNSQLWICTKY-OAHLLOKOSA-N 1 3 323.456 2.198 20 0 DEADHO [NH3+]CCOCCN1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000519407768 406197433 /nfs/dbraw/zinc/19/74/33/406197433.db2.gz YXNMHIKMZZEXQM-ZDUSSCGKSA-N 1 3 305.447 2.451 20 0 DEADHO c1cc(N2CCCN(CCO[C@H]3CCCCO3)CC2)cc[nH+]1 ZINC000639705211 406213444 /nfs/dbraw/zinc/21/34/44/406213444.db2.gz UWSCQOYIBFPDKZ-KRWDZBQOSA-N 1 3 305.422 2.137 20 0 DEADHO COC(=O)c1cc(CN2CCC(C[N@H+](C)C(C)C)CC2)c[nH]1 ZINC000535813252 406240747 /nfs/dbraw/zinc/24/07/47/406240747.db2.gz WXBASTIQFWUZQX-UHFFFAOYSA-N 1 3 307.438 2.354 20 0 DEADHO COC(=O)c1cc(CN2CCC(C[N@@H+](C)C(C)C)CC2)c[nH]1 ZINC000535813252 406240752 /nfs/dbraw/zinc/24/07/52/406240752.db2.gz WXBASTIQFWUZQX-UHFFFAOYSA-N 1 3 307.438 2.354 20 0 DEADHO CCOCC[C@H](O)C[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000634724853 406249064 /nfs/dbraw/zinc/24/90/64/406249064.db2.gz YVOALJIMTZYDNT-NEWSRXKRSA-N 1 3 320.477 2.132 20 0 DEADHO CCOCC[C@H](O)CNC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000634724853 406249069 /nfs/dbraw/zinc/24/90/69/406249069.db2.gz YVOALJIMTZYDNT-NEWSRXKRSA-N 1 3 320.477 2.132 20 0 DEADHO CCOCC[C@H](O)CNC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000634724853 406249075 /nfs/dbraw/zinc/24/90/75/406249075.db2.gz YVOALJIMTZYDNT-NEWSRXKRSA-N 1 3 320.477 2.132 20 0 DEADHO CC1(C)CNCC[C@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)C1 ZINC000634732799 406252652 /nfs/dbraw/zinc/25/26/52/406252652.db2.gz PACPUWZAFYOFGD-INIZCTEOSA-N 1 3 319.449 2.252 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000569501377 406263222 /nfs/dbraw/zinc/26/32/22/406263222.db2.gz AJPFZIOEZQOACR-BRWVUGGUSA-N 1 3 324.513 2.171 20 0 DEADHO N[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2N2CCOCC2)c2ccccc21 ZINC000569919045 406318974 /nfs/dbraw/zinc/31/89/74/406318974.db2.gz DURZFNWZQHVSPN-YDZRNGNQSA-N 1 3 315.461 2.364 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000488504135 406325904 /nfs/dbraw/zinc/32/59/04/406325904.db2.gz KZXQRYRHWUZEOC-WMZOPIPTSA-N 1 3 317.477 2.355 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000488504135 406325906 /nfs/dbraw/zinc/32/59/06/406325906.db2.gz KZXQRYRHWUZEOC-WMZOPIPTSA-N 1 3 317.477 2.355 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000637518651 406337058 /nfs/dbraw/zinc/33/70/58/406337058.db2.gz PTHDIYKDWCHCGM-IAGOWNOFSA-N 1 3 318.465 2.251 20 0 DEADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000546016244 406345312 /nfs/dbraw/zinc/34/53/12/406345312.db2.gz CZKMAISTGWRZKZ-DOTOQJQBSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000546016244 406345314 /nfs/dbraw/zinc/34/53/14/406345314.db2.gz CZKMAISTGWRZKZ-DOTOQJQBSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H]1C[C@H]1CN1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000488290024 406308587 /nfs/dbraw/zinc/30/85/87/406308587.db2.gz GVTDFPHSABTSDU-SJORKVTESA-N 1 3 317.477 2.405 20 0 DEADHO C[C@H]1C[N@H+](CCCNCCC(=O)Nc2ccccc2)CCCO1 ZINC000570444803 406394796 /nfs/dbraw/zinc/39/47/96/406394796.db2.gz OHODWWOPDRHYBF-INIZCTEOSA-N 1 3 319.449 2.106 20 0 DEADHO C[C@H]1C[N@@H+](CCCNCCC(=O)Nc2ccccc2)CCCO1 ZINC000570444803 406394799 /nfs/dbraw/zinc/39/47/99/406394799.db2.gz OHODWWOPDRHYBF-INIZCTEOSA-N 1 3 319.449 2.106 20 0 DEADHO C[C@@H]1C[C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)[C@@H](C)O1 ZINC000635003278 406396219 /nfs/dbraw/zinc/39/62/19/406396219.db2.gz BMJXRASJZVXQDT-UHOVARLQSA-N 1 3 302.418 2.398 20 0 DEADHO C[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(-n2cnnn2)cc1 ZINC000635010245 406398056 /nfs/dbraw/zinc/39/80/56/406398056.db2.gz JFRIOBGOWSQGTH-ZFWWWQNUSA-N 1 3 314.437 2.091 20 0 DEADHO FC(F)(F)c1ccn(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000635014073 406400777 /nfs/dbraw/zinc/40/07/77/406400777.db2.gz LWWLWJBRDOTKIF-YNEHKIRRSA-N 1 3 316.371 2.412 20 0 DEADHO C[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(S(C)(=O)=O)cc1 ZINC000635014189 406401342 /nfs/dbraw/zinc/40/13/42/406401342.db2.gz YWIOHPVVEXLOBO-VHDGCEQUSA-N 1 3 310.463 2.053 20 0 DEADHO C[C@H](C[NH2+][C@@H]1CCC[C@H](N)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000635014189 406401349 /nfs/dbraw/zinc/40/13/49/406401349.db2.gz YWIOHPVVEXLOBO-VHDGCEQUSA-N 1 3 310.463 2.053 20 0 DEADHO O=C1CC[C@H]([NH2+]CC2CCN(Cc3cccs3)CC2)CCN1 ZINC000634957004 406370667 /nfs/dbraw/zinc/37/06/67/406370667.db2.gz AOTUDYUYHYVAOP-HNNXBMFYSA-N 1 3 321.490 2.218 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCN1C1CCCC1 ZINC000635125644 406432796 /nfs/dbraw/zinc/43/27/96/406432796.db2.gz NMBYAENOYRMVKZ-NVXWUHKLSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCN1C1CCCC1 ZINC000635125644 406432799 /nfs/dbraw/zinc/43/27/99/406432799.db2.gz NMBYAENOYRMVKZ-NVXWUHKLSA-N 1 3 307.482 2.384 20 0 DEADHO CC1CC[NH+](CCCNC(=O)[C@@H]2CCN2C2CCCC2)CC1 ZINC000635130915 406434628 /nfs/dbraw/zinc/43/46/28/406434628.db2.gz VOZWBFNZOLCIQO-KRWDZBQOSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(Cc2cccc(C(N)=O)c2)CC1 ZINC000524155887 406442063 /nfs/dbraw/zinc/44/20/63/406442063.db2.gz JKIJXERYORWDBY-UHFFFAOYSA-N 1 3 303.450 2.338 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(Cc2cccc(C(N)=O)c2)CC1 ZINC000524155887 406442068 /nfs/dbraw/zinc/44/20/68/406442068.db2.gz JKIJXERYORWDBY-UHFFFAOYSA-N 1 3 303.450 2.338 20 0 DEADHO CN(CCCC[NH+]1CCCCC1)CCc1nnn(C(C)(C)C)n1 ZINC000640533098 406535304 /nfs/dbraw/zinc/53/53/04/406535304.db2.gz CPTIHFLZEBYELT-UHFFFAOYSA-N 1 3 322.501 2.169 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548716473 406543509 /nfs/dbraw/zinc/54/35/09/406543509.db2.gz ZGNVCIWZGIOXSA-RHSMWYFYSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548716473 406543511 /nfs/dbraw/zinc/54/35/11/406543511.db2.gz ZGNVCIWZGIOXSA-RHSMWYFYSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548716472 406544054 /nfs/dbraw/zinc/54/40/54/406544054.db2.gz ZGNVCIWZGIOXSA-PBHICJAKSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548716472 406544058 /nfs/dbraw/zinc/54/40/58/406544058.db2.gz ZGNVCIWZGIOXSA-PBHICJAKSA-N 1 3 307.482 2.240 20 0 DEADHO Cc1noc([C@H]2CCCN(Cc3ccc4c(c3)C[NH2+]CC4)C2)n1 ZINC000571810892 406569332 /nfs/dbraw/zinc/56/93/32/406569332.db2.gz HGRBACBEAGLHEZ-INIZCTEOSA-N 1 3 312.417 2.403 20 0 DEADHO C[NH+](C)CCOC1CCN(Cc2ccc3nccnc3c2)CC1 ZINC000638062008 406549998 /nfs/dbraw/zinc/54/99/98/406549998.db2.gz OVBGEMQFKQILPC-UHFFFAOYSA-N 1 3 314.433 2.172 20 0 DEADHO CC[NH2+][C@H](C)C(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC000638088232 406563838 /nfs/dbraw/zinc/56/38/38/406563838.db2.gz DQCWWEWUZGYVKM-CQSZACIVSA-N 1 3 321.490 2.480 20 0 DEADHO CO[C@@](C)(CN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)C1CC1 ZINC000637984675 406508730 /nfs/dbraw/zinc/50/87/30/406508730.db2.gz JWIZVMALRSWUQM-SCTDSRPQSA-N 1 3 323.525 2.292 20 0 DEADHO CO[C@@](C)(CN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)C1CC1 ZINC000637984675 406508735 /nfs/dbraw/zinc/50/87/35/406508735.db2.gz JWIZVMALRSWUQM-SCTDSRPQSA-N 1 3 323.525 2.292 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC000571870086 406576604 /nfs/dbraw/zinc/57/66/04/406576604.db2.gz IZPVNCWZJMKZPW-OAHLLOKOSA-N 1 3 303.450 2.208 20 0 DEADHO CC(C)[N@H+]1CC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC000571870086 406576610 /nfs/dbraw/zinc/57/66/10/406576610.db2.gz IZPVNCWZJMKZPW-OAHLLOKOSA-N 1 3 303.450 2.208 20 0 DEADHO CO[C@@H](CN1CC[C@@H](C[N@H+](C)CC2CC2)C1)C1CCOCC1 ZINC000638134678 406587990 /nfs/dbraw/zinc/58/79/90/406587990.db2.gz PXYSJYSBXOQSCA-WMZOPIPTSA-N 1 3 310.482 2.092 20 0 DEADHO CO[C@@H](CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1)C1CCOCC1 ZINC000638134678 406587995 /nfs/dbraw/zinc/58/79/95/406587995.db2.gz PXYSJYSBXOQSCA-WMZOPIPTSA-N 1 3 310.482 2.092 20 0 DEADHO CC(C)N1CCN(C2CC[NH+](CCC[C@H]3CCOC3)CC2)CC1 ZINC000645842546 406662092 /nfs/dbraw/zinc/66/20/92/406662092.db2.gz ZFIITXYJYMDGPW-SFHVURJKSA-N 1 3 323.525 2.294 20 0 DEADHO CO[C@H](C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)C1CC1 ZINC000638275545 406666774 /nfs/dbraw/zinc/66/67/74/406666774.db2.gz UJXDVAGBFWRZIF-LJQANCHMSA-N 1 3 318.461 2.158 20 0 DEADHO CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000635690030 406682471 /nfs/dbraw/zinc/68/24/71/406682471.db2.gz OPQIKMGBDXQOSR-ROUUACIJSA-N 1 3 315.461 2.061 20 0 DEADHO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000635690030 406682475 /nfs/dbraw/zinc/68/24/75/406682475.db2.gz OPQIKMGBDXQOSR-ROUUACIJSA-N 1 3 315.461 2.061 20 0 DEADHO CC[NH+](CC)Cc1ccc(CNC[C@]2(OC)CCOC2)cc1 ZINC000638310075 406689581 /nfs/dbraw/zinc/68/95/81/406689581.db2.gz VTOIYJYNMOSWAQ-GOSISDBHSA-N 1 3 306.450 2.424 20 0 DEADHO COc1ccc(C[NH2+]C2CCN(CC(C)(C)O)CC2)cc1F ZINC000638321897 406698353 /nfs/dbraw/zinc/69/83/53/406698353.db2.gz RWUWWNVDZQWHFU-UHFFFAOYSA-N 1 3 310.413 2.159 20 0 DEADHO O=C(CC[NH2+]C1CC1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000572302677 406641354 /nfs/dbraw/zinc/64/13/54/406641354.db2.gz MHIQQYWEZOGZBW-AWEZNQCLSA-N 1 3 321.490 2.218 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000645987387 406731937 /nfs/dbraw/zinc/73/19/37/406731937.db2.gz KRTAAVVMDCOLMF-XYJFISCASA-N 1 3 307.482 2.147 20 0 DEADHO CN(CC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)CC(C)(C)C ZINC000638402428 406750709 /nfs/dbraw/zinc/75/07/09/406750709.db2.gz MNVMOYVUBFZSAV-MRXNPFEDSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000527815419 406759930 /nfs/dbraw/zinc/75/99/30/406759930.db2.gz LPKMCVWNZWOYJB-HYVNUMGLSA-N 1 3 322.497 2.031 20 0 DEADHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000527815419 406759934 /nfs/dbraw/zinc/75/99/34/406759934.db2.gz LPKMCVWNZWOYJB-HYVNUMGLSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000645951170 406720254 /nfs/dbraw/zinc/72/02/54/406720254.db2.gz FHAMSOPMIZRGJB-NXNVCVFFSA-N 1 3 307.482 2.001 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC[C@@H](C[NH3+])C2)cc1 ZINC000572705744 406723898 /nfs/dbraw/zinc/72/38/98/406723898.db2.gz GGAFCVUXSODQQW-WMLDXEAASA-N 1 3 318.465 2.190 20 0 DEADHO CC[C@@](C)(C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)OC ZINC000638366025 406727209 /nfs/dbraw/zinc/72/72/09/406727209.db2.gz GANVNFQFRRAGNN-IBGZPJMESA-N 1 3 319.493 2.339 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000646105898 406782562 /nfs/dbraw/zinc/78/25/62/406782562.db2.gz KSNKLNBISWOTEL-SQNIBIBYSA-N 1 3 315.461 2.107 20 0 DEADHO COc1ccc(CN2CC[C@@H]2CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000527972361 406802114 /nfs/dbraw/zinc/80/21/14/406802114.db2.gz WPXSSOCDYZGFAC-CGTJXYLNSA-N 1 3 317.477 2.342 20 0 DEADHO COc1ccc(CN2CC[C@@H]2CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000527972361 406802120 /nfs/dbraw/zinc/80/21/20/406802120.db2.gz WPXSSOCDYZGFAC-CGTJXYLNSA-N 1 3 317.477 2.342 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000646212935 406818380 /nfs/dbraw/zinc/81/83/80/406818380.db2.gz WODKAIFWNARZEF-UONOGXRCSA-N 1 3 324.444 2.025 20 0 DEADHO CC[C@@H]1CN(C)CCN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000646281710 406834373 /nfs/dbraw/zinc/83/43/73/406834373.db2.gz SHJXFKCCPNVAMX-QGZVFWFLSA-N 1 3 305.466 2.153 20 0 DEADHO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000646479669 406871411 /nfs/dbraw/zinc/87/14/11/406871411.db2.gz SPRQQYKUMJZPIR-NXHRZFHOSA-N 1 3 315.461 2.202 20 0 DEADHO CN(C)CC1(C[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)CCCC1 ZINC000641747862 406883298 /nfs/dbraw/zinc/88/32/98/406883298.db2.gz PRNDRQMPJCJBCY-UHFFFAOYSA-N 1 3 302.422 2.480 20 0 DEADHO COc1ccccc1[C@@H](N)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000646603549 406885412 /nfs/dbraw/zinc/88/54/12/406885412.db2.gz OKYLWSZHEJEISI-HOCLYGCPSA-N 1 3 319.449 2.076 20 0 DEADHO C[C@@H](CNC(=O)N(C)CCCC[NH+]1CCCCC1)N(C)C1CC1 ZINC000641782506 406891105 /nfs/dbraw/zinc/89/11/05/406891105.db2.gz DBMQIWXZWMSKMJ-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCC(=O)NCc1ccccc1Cl ZINC000641802885 406895446 /nfs/dbraw/zinc/89/54/46/406895446.db2.gz BSNVYARQMDMBDK-KGLIPLIRSA-N 1 3 309.841 2.062 20 0 DEADHO C[C@H]1C[C@H]([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)CO1 ZINC000647209632 406972594 /nfs/dbraw/zinc/97/25/94/406972594.db2.gz SDFRQAWNWQFKNV-HOCLYGCPSA-N 1 3 304.434 2.427 20 0 DEADHO COC1([C@@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)CCCC1 ZINC000643346169 406986437 /nfs/dbraw/zinc/98/64/37/406986437.db2.gz GLJDXOLOBFBWSA-CVEARBPZSA-N 1 3 309.498 2.092 20 0 DEADHO COc1ccc([C@H](CN[C@H]2CCC[C@@H]2[NH3+])N2CCCC2)cc1 ZINC000643456577 407002115 /nfs/dbraw/zinc/00/21/15/407002115.db2.gz JXZVXSVKKIBHTG-BZSNNMDCSA-N 1 3 303.450 2.302 20 0 DEADHO COc1ccc([C@H](C[NH2+][C@H]2CCC[C@@H]2N)N2CCCC2)cc1 ZINC000643456577 407002118 /nfs/dbraw/zinc/00/21/18/407002118.db2.gz JXZVXSVKKIBHTG-BZSNNMDCSA-N 1 3 303.450 2.302 20 0 DEADHO Cc1noc(C)c1C[C@H](C)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000647908967 407072284 /nfs/dbraw/zinc/07/22/84/407072284.db2.gz BUDIVJYFBDSVAQ-LBPRGKRZSA-N 1 3 309.454 2.047 20 0 DEADHO COc1cc(C)ccc1C[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000647909510 407072433 /nfs/dbraw/zinc/07/24/33/407072433.db2.gz TXSHMGXBINMREM-UHFFFAOYSA-N 1 3 306.450 2.329 20 0 DEADHO COc1ccccc1[C@H](N)CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000644092183 407085396 /nfs/dbraw/zinc/08/53/96/407085396.db2.gz IUVXMHKKCUTSEZ-OWCLPIDISA-N 1 3 319.449 2.109 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CC2([NH3+])CCC2)C1 ZINC000645693292 407297091 /nfs/dbraw/zinc/29/70/91/407297091.db2.gz OXKLGECBHVCXIX-GOEBONIOSA-N 1 3 301.434 2.210 20 0 DEADHO CC(C)OCC[C@H](O)C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000570509299 292487528 /nfs/dbraw/zinc/48/75/28/292487528.db2.gz XFRWHKYXYXHYCM-SFHVURJKSA-N 1 3 321.465 2.064 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000358113743 287011903 /nfs/dbraw/zinc/01/19/03/287011903.db2.gz PKWIECWZDSZJTK-NVXWUHKLSA-N 1 3 322.497 2.201 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000358113743 287011905 /nfs/dbraw/zinc/01/19/05/287011905.db2.gz PKWIECWZDSZJTK-NVXWUHKLSA-N 1 3 322.497 2.201 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000417695804 287007863 /nfs/dbraw/zinc/00/78/63/287007863.db2.gz GFNAQNCLKFZPGW-HZPDHXFCSA-N 1 3 312.502 2.266 20 0 DEADHO CC(C)[C@H](CNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)[NH+]1CCCC1 ZINC000129002153 196010879 /nfs/dbraw/zinc/01/08/79/196010879.db2.gz WCZKRRJOOOPDRT-UXLLHSPISA-N 1 3 322.497 2.031 20 0 DEADHO C[NH2+][C@@H]1CCCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000133815482 196338134 /nfs/dbraw/zinc/33/81/34/196338134.db2.gz POMJEMDNXIFHTC-CYBMUJFWSA-N 1 3 315.417 2.318 20 0 DEADHO Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)CN(C)C2CCC2)cs1 ZINC001423071987 1173056632 /nfs/dbraw/zinc/05/66/32/1173056632.db2.gz BGLXJBAWCQYQTP-ZDUSSCGKSA-N 1 3 323.506 2.477 20 0 DEADHO C[C@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)N1CCC(C)CC1 ZINC000189969244 225070196 /nfs/dbraw/zinc/07/01/96/225070196.db2.gz SHPWUKTXITXCCG-MRXNPFEDSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H]1C[C@@H](CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000423118229 288502343 /nfs/dbraw/zinc/50/23/43/288502343.db2.gz ZMBNLRWKBIVOEZ-SISKNIMQSA-N 1 3 310.482 2.327 20 0 DEADHO Cc1noc(C)c1CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000291439360 222390713 /nfs/dbraw/zinc/39/07/13/222390713.db2.gz KFKAQAOPVLSUCJ-UHFFFAOYSA-N 1 3 300.406 2.488 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)N(CCC[NH3+])CC2CCCC2)CN1C1CC1 ZINC000417858694 229126469 /nfs/dbraw/zinc/12/64/69/229126469.db2.gz PZPICXPXYBALTN-GOEBONIOSA-N 1 3 322.497 2.162 20 0 DEADHO C[C@@H]1[C@H](NC(=O)N(CCC[NH3+])CC2CCCC2)CCCN1C ZINC000417994997 229179223 /nfs/dbraw/zinc/17/92/23/229179223.db2.gz CSYIJABLKKTZCK-GDBMZVCRSA-N 1 3 310.486 2.020 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NC(C)(C)CC[NH3+])CN1Cc1ccccc1 ZINC000422606584 230152735 /nfs/dbraw/zinc/15/27/35/230152735.db2.gz SMHYDAADAPZCMU-ZBFHGGJFSA-N 1 3 318.465 2.076 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000422732972 230180794 /nfs/dbraw/zinc/18/07/94/230180794.db2.gz AOUJAGPTWMTFTD-NWANDNLSSA-N 1 3 318.465 2.146 20 0 DEADHO C[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N)COCc1ccccc1 ZINC000422772492 230200526 /nfs/dbraw/zinc/20/05/26/230200526.db2.gz ZCKMAHLUGJEBCP-MXSMSXNCSA-N 1 3 306.450 2.181 20 0 DEADHO COc1ccc([C@@H](NC2CCN(C)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422786740 230210383 /nfs/dbraw/zinc/21/03/83/230210383.db2.gz QPKWVKLPJOHGHP-QZTJIDSGSA-N 1 3 303.450 2.172 20 0 DEADHO Cc1ccc([C@H](C[NH2+][C@@H]2CCCCC[C@@H]2N)N2CCOCC2)o1 ZINC000422798789 230213384 /nfs/dbraw/zinc/21/33/84/230213384.db2.gz SVZMYNLIBYTIGB-BBWFWOEESA-N 1 3 321.465 2.211 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H](CO)Cc1c(F)cccc1Cl ZINC000422794886 230214370 /nfs/dbraw/zinc/21/43/70/230214370.db2.gz HEKPNKFDJQPESV-TUAOUCFPSA-N 1 3 302.821 2.346 20 0 DEADHO C[C@H](C[C@H](C)N)[NH2+]C[C@@H](CO)Cc1c(F)cccc1Cl ZINC000422794886 230214376 /nfs/dbraw/zinc/21/43/76/230214376.db2.gz HEKPNKFDJQPESV-TUAOUCFPSA-N 1 3 302.821 2.346 20 0 DEADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccccc1OCCN(C)C ZINC000422817446 230225361 /nfs/dbraw/zinc/22/53/61/230225361.db2.gz DALFOBNRUDGZLQ-RDJZCZTQSA-N 1 3 305.466 2.105 20 0 DEADHO N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000422846806 230240109 /nfs/dbraw/zinc/24/01/09/230240109.db2.gz QGZMOHPEFBWFSR-DLBZAZTESA-N 1 3 310.401 2.303 20 0 DEADHO Cc1cccc([C@H](CN[C@H](C)C[C@H](C)[NH3+])N2CCOCC2)c1 ZINC000422870537 230253000 /nfs/dbraw/zinc/25/30/00/230253000.db2.gz YVXQTWDMWGPZGX-JZXOWHBKSA-N 1 3 305.466 2.084 20 0 DEADHO Cc1cccc([C@H](CN[C@@H](C)C[C@H](C)[NH3+])N2CCOCC2)c1 ZINC000422870536 230253385 /nfs/dbraw/zinc/25/33/85/230253385.db2.gz YVXQTWDMWGPZGX-BQFCYCMXSA-N 1 3 305.466 2.084 20 0 DEADHO COc1ccc([C@@H](NCCN(C)C(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422879501 230256993 /nfs/dbraw/zinc/25/69/93/230256993.db2.gz MEGGACSTCHXAJV-QZTJIDSGSA-N 1 3 305.466 2.418 20 0 DEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000422902967 230268853 /nfs/dbraw/zinc/26/88/53/230268853.db2.gz VJUIPNNCCQECRO-YJBOKZPZSA-N 1 3 302.466 2.153 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1cc(Br)cs1 ZINC000422902707 230270511 /nfs/dbraw/zinc/27/05/11/230270511.db2.gz VBYLFTFANJYBTF-KPXOXKRLSA-N 1 3 319.268 2.353 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000422908790 230272036 /nfs/dbraw/zinc/27/20/36/230272036.db2.gz ZHRSGFBFMTYPHA-ARFHVFGLSA-N 1 3 305.466 2.123 20 0 DEADHO C[C@H](C[C@H](C)N)[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000422908769 230272713 /nfs/dbraw/zinc/27/27/13/230272713.db2.gz ZDLVBCFXDOTYRN-UONOGXRCSA-N 1 3 320.433 2.179 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000422908769 230272718 /nfs/dbraw/zinc/27/27/18/230272718.db2.gz ZDLVBCFXDOTYRN-UONOGXRCSA-N 1 3 320.433 2.179 20 0 DEADHO CSC1(CN[C@H](Cc2ccccc2)[C@H](C)[NH3+])CCOCC1 ZINC000422927483 230281152 /nfs/dbraw/zinc/28/11/52/230281152.db2.gz ZDKYDBYTCAUXHC-GOEBONIOSA-N 1 3 308.491 2.447 20 0 DEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000422955877 230292485 /nfs/dbraw/zinc/29/24/85/230292485.db2.gz KCZRFSJESWYLBT-IRXDYDNUSA-N 1 3 315.461 2.463 20 0 DEADHO COc1cccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)N)c1 ZINC000423008266 230315788 /nfs/dbraw/zinc/31/57/88/230315788.db2.gz ZQMBKJCHKDQMBU-KBRIMQKVSA-N 1 3 306.450 2.315 20 0 DEADHO COc1cccc(C(C)(C)CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000423008266 230315790 /nfs/dbraw/zinc/31/57/90/230315790.db2.gz ZQMBKJCHKDQMBU-KBRIMQKVSA-N 1 3 306.450 2.315 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@H](C)Oc1ccc(Cl)cc1 ZINC000423072992 230336290 /nfs/dbraw/zinc/33/62/90/230336290.db2.gz IAPHPGUKNMDAAK-GVAFMPQTSA-N 1 3 312.841 2.449 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NC[C@H](C)Oc1ccc(Cl)cc1 ZINC000423072994 230336937 /nfs/dbraw/zinc/33/69/37/230336937.db2.gz IAPHPGUKNMDAAK-RKLWJJNISA-N 1 3 312.841 2.449 20 0 DEADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000423082060 230342328 /nfs/dbraw/zinc/34/23/28/230342328.db2.gz CJLRWOPVYXPGQY-IPELMVKDSA-N 1 3 317.477 2.245 20 0 DEADHO c1cc2cc(CCN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)ccc2[nH]1 ZINC000423093689 230346489 /nfs/dbraw/zinc/34/64/89/230346489.db2.gz ABAUKJMDQKNXCG-NZSAHSFTSA-N 1 3 313.445 2.457 20 0 DEADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(N2CCOCC2)c1 ZINC000423138997 230362023 /nfs/dbraw/zinc/36/20/23/230362023.db2.gz UTXSIFQYLDFEBP-MSOLQXFVSA-N 1 3 303.450 2.273 20 0 DEADHO C[C@@H]1[C@H](C(=O)N(Cc2ccco2)C2CCN(C)CC2)CC[N@@H+]1C ZINC000648781793 424905785 /nfs/dbraw/zinc/90/57/85/424905785.db2.gz ZQELPJSTAYIEMO-RHSMWYFYSA-N 1 3 319.449 2.043 20 0 DEADHO C[C@@H]1[C@H](C(=O)N(Cc2ccco2)C2CCN(C)CC2)CC[N@H+]1C ZINC000648781793 424905787 /nfs/dbraw/zinc/90/57/87/424905787.db2.gz ZQELPJSTAYIEMO-RHSMWYFYSA-N 1 3 319.449 2.043 20 0 DEADHO c1cn(Cc2ccccc2)nc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401058348 424923311 /nfs/dbraw/zinc/92/33/11/424923311.db2.gz FELPBWXQRSHSPE-FGTMMUONSA-N 1 3 310.445 2.409 20 0 DEADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000248998637 424886749 /nfs/dbraw/zinc/88/67/49/424886749.db2.gz IEYGXNMWXYGFNC-JYJNAYRXSA-N 1 3 303.450 2.093 20 0 DEADHO C[C@H]1CN(Cc2cccc(CN[C@H]3CCC[NH2+]CC3)c2)CCO1 ZINC000415087907 424950081 /nfs/dbraw/zinc/95/00/81/424950081.db2.gz VQAKQHIYRLLZIF-LPHOPBHVSA-N 1 3 317.477 2.139 20 0 DEADHO CC1(C)C[NH2+]CCN1C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000649273447 424981964 /nfs/dbraw/zinc/98/19/64/424981964.db2.gz KTWPQKYIROQKAS-UHFFFAOYSA-N 1 3 310.401 2.071 20 0 DEADHO COc1ccccc1CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650705300 425038169 /nfs/dbraw/zinc/03/81/69/425038169.db2.gz BTGPWOWOLXJHCR-XYJFISCASA-N 1 3 304.434 2.414 20 0 DEADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2cnc3ccccn23)C1 ZINC000650722253 425042426 /nfs/dbraw/zinc/04/24/26/425042426.db2.gz NXAWVRKYVXTPTO-PVAVHDDUSA-N 1 3 314.433 2.195 20 0 DEADHO C[NH2+]Cc1ccccc1CNCc1cc2c(c(OC)c1)OCO2 ZINC000650718496 425042694 /nfs/dbraw/zinc/04/26/94/425042694.db2.gz PCXKNOLTMVUKEX-UHFFFAOYSA-N 1 3 314.385 2.433 20 0 DEADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2cncc(C)n2)[C@H](C)C1 ZINC000649587450 425045637 /nfs/dbraw/zinc/04/56/37/425045637.db2.gz JSYLFZGCIWLPIV-CRAIPNDOSA-N 1 3 320.481 2.054 20 0 DEADHO CCOCCC[N@H+]1CC[C@@H](NCCc2cncc(C)n2)[C@H](C)C1 ZINC000649587450 425045638 /nfs/dbraw/zinc/04/56/38/425045638.db2.gz JSYLFZGCIWLPIV-CRAIPNDOSA-N 1 3 320.481 2.054 20 0 DEADHO Fc1ccc([C@H](NCCC2CC[NH2+]CC2)c2nnc[nH]2)cc1 ZINC000650762304 425049237 /nfs/dbraw/zinc/04/92/37/425049237.db2.gz ZLODXVSNBIFEOJ-HNNXBMFYSA-N 1 3 303.385 2.013 20 0 DEADHO CCN(CCNC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC000660588227 425170931 /nfs/dbraw/zinc/17/09/31/425170931.db2.gz ZFQVZUVXIFODLN-HNNXBMFYSA-N 1 3 322.497 2.177 20 0 DEADHO CCN(CCNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC000660588227 425170935 /nfs/dbraw/zinc/17/09/35/425170935.db2.gz ZFQVZUVXIFODLN-HNNXBMFYSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC(N3CCOC[C@@H]3C)CC2)C1 ZINC000660590802 425171375 /nfs/dbraw/zinc/17/13/75/425171375.db2.gz QMMZXFMRMGNEPW-KURKYZTESA-N 1 3 323.525 2.149 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)N[C@@H]2CCC[NH2+]CC2)c1 ZINC000666858117 425198936 /nfs/dbraw/zinc/19/89/36/425198936.db2.gz YADYVPBYLKXKTQ-UONOGXRCSA-N 1 3 305.422 2.144 20 0 DEADHO OC[C@H]1CCC[N@@H+]1CCCCNCc1cc2cnccc2o1 ZINC000651713961 425144588 /nfs/dbraw/zinc/14/45/88/425144588.db2.gz KQRBXUCHTJAGFC-OAHLLOKOSA-N 1 3 303.406 2.154 20 0 DEADHO OC[C@H]1CCC[N@H+]1CCCCNCc1cc2cnccc2o1 ZINC000651713961 425144589 /nfs/dbraw/zinc/14/45/89/425144589.db2.gz KQRBXUCHTJAGFC-OAHLLOKOSA-N 1 3 303.406 2.154 20 0 DEADHO OC[C@]1(C[NH2+]C2CCN(CC3CC3)CC2)CCc2ccccc21 ZINC000651884462 425150673 /nfs/dbraw/zinc/15/06/73/425150673.db2.gz IODFPKHHPOAGLP-HXUWFJFHSA-N 1 3 314.473 2.327 20 0 DEADHO OC[C@]1(CNC2CC[NH+](CC3CC3)CC2)CCc2ccccc21 ZINC000651884462 425150674 /nfs/dbraw/zinc/15/06/74/425150674.db2.gz IODFPKHHPOAGLP-HXUWFJFHSA-N 1 3 314.473 2.327 20 0 DEADHO COc1ccc([C@H]([NH2+]C[C@@H](O)CN(C)C(C)C)C2CC2)cc1 ZINC000656694514 425161856 /nfs/dbraw/zinc/16/18/56/425161856.db2.gz QRXGPPNDQYHHLM-SJLPKXTDSA-N 1 3 306.450 2.437 20 0 DEADHO C[NH2+]Cc1ccccc1CNC(=O)N1CCCN(C(C)C)CC1 ZINC000652285274 425231669 /nfs/dbraw/zinc/23/16/69/425231669.db2.gz SSPVJWWUTZCIBZ-UHFFFAOYSA-N 1 3 318.465 2.032 20 0 DEADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000660869897 425263732 /nfs/dbraw/zinc/26/37/32/425263732.db2.gz UUJAHZCZCWXZEU-XHSDSOJGSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654374558 425336206 /nfs/dbraw/zinc/33/62/06/425336206.db2.gz JMXFKALBLKBGLU-IXDOHACOSA-N 1 3 322.497 2.177 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNCc2ccnn2-c2ccncc2)C1 ZINC000657348523 425312117 /nfs/dbraw/zinc/31/21/17/425312117.db2.gz YRLXUEUJVWKMAV-MRXNPFEDSA-N 1 3 313.449 2.477 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNCc2ccnn2-c2ccncc2)C1 ZINC000657348523 425312120 /nfs/dbraw/zinc/31/21/20/425312120.db2.gz YRLXUEUJVWKMAV-MRXNPFEDSA-N 1 3 313.449 2.477 20 0 DEADHO COc1cc2nccc(NCC[C@@H](C)[NH+](C)C)c2cc1OC ZINC000664246818 425345341 /nfs/dbraw/zinc/34/53/41/425345341.db2.gz YTCCEWCJSZGHPK-GFCCVEGCSA-N 1 3 303.406 2.426 20 0 DEADHO Cn1ncc(C(F)(F)F)c1CNCCCC[N@H+](C)C1CC1 ZINC000657486987 425347473 /nfs/dbraw/zinc/34/74/73/425347473.db2.gz DZMITTLHEAKTRT-UHFFFAOYSA-N 1 3 304.360 2.403 20 0 DEADHO Cn1ncc(C(F)(F)F)c1CNCCCC[N@@H+](C)C1CC1 ZINC000657486987 425347474 /nfs/dbraw/zinc/34/74/74/425347474.db2.gz DZMITTLHEAKTRT-UHFFFAOYSA-N 1 3 304.360 2.403 20 0 DEADHO C[NH+](C)C1CCC(NC(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000654596449 425394380 /nfs/dbraw/zinc/39/43/80/425394380.db2.gz PJNKHKDWLQVTDE-SJJHQCBESA-N 1 3 322.497 2.175 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)[C@@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000653106166 425405684 /nfs/dbraw/zinc/40/56/84/425405684.db2.gz WGTUBJIAJLMOEY-QZTJIDSGSA-N 1 3 317.477 2.358 20 0 DEADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000653109760 425406482 /nfs/dbraw/zinc/40/64/82/425406482.db2.gz LVPOAQADUSRFTM-MSOLQXFVSA-N 1 3 315.461 2.329 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)N(C)C)cc1 ZINC000653112076 425407678 /nfs/dbraw/zinc/40/76/78/425407678.db2.gz LBXIONWUESQKSE-SQNIBIBYSA-N 1 3 315.461 2.245 20 0 DEADHO CN1CCC(N2CCC([NH2+][C@H]3CCCSCC3)CC2)CC1 ZINC000657863007 425411268 /nfs/dbraw/zinc/41/12/68/425411268.db2.gz HMQVCHTUFQMIHN-HNNXBMFYSA-N 1 3 311.539 2.420 20 0 DEADHO COC1([C@H](C)[NH2+]CC2(N3CCCCC3)CCN(C)CC2)CCC1 ZINC000657893790 425413645 /nfs/dbraw/zinc/41/36/45/425413645.db2.gz UFLFAPMGMCVLPJ-KRWDZBQOSA-N 1 3 323.525 2.484 20 0 DEADHO C[C@H](NC(=O)N[C@H]1CCCN2CCCC[C@@H]12)C(C)(C)C[NH+](C)C ZINC000654482234 425364161 /nfs/dbraw/zinc/36/41/61/425364161.db2.gz DNQGQLGMZXNDOG-JYJNAYRXSA-N 1 3 324.513 2.279 20 0 DEADHO COc1cc(C)c(CN[C@@H](C)CN(C)CCC[NH+](C)C)c(C)n1 ZINC000657574038 425368065 /nfs/dbraw/zinc/36/80/65/425368065.db2.gz XBKAUAKRIZVWEE-HNNXBMFYSA-N 1 3 322.497 2.069 20 0 DEADHO COCC(C)(C)C[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000657597326 425373525 /nfs/dbraw/zinc/37/35/25/425373525.db2.gz UHGRDCWDHYJXBY-KRWDZBQOSA-N 1 3 306.450 2.015 20 0 DEADHO C[N@H+](CCCCNC(=O)NC[C@H]1CCN1C(C)(C)C)C1CC1 ZINC000661298454 425373732 /nfs/dbraw/zinc/37/37/32/425373732.db2.gz PGWHKNBDRYGCDX-OAHLLOKOSA-N 1 3 310.486 2.033 20 0 DEADHO C[N@@H+](CCCCNC(=O)NC[C@H]1CCN1C(C)(C)C)C1CC1 ZINC000661298454 425373736 /nfs/dbraw/zinc/37/37/36/425373736.db2.gz PGWHKNBDRYGCDX-OAHLLOKOSA-N 1 3 310.486 2.033 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000653149012 425418561 /nfs/dbraw/zinc/41/85/61/425418561.db2.gz SVOGLCSWKZAKKJ-KRWDZBQOSA-N 1 3 309.498 2.347 20 0 DEADHO C[C@@H](NCCOCC[NH+](C)C)c1cncc(Br)c1 ZINC000657987484 425424466 /nfs/dbraw/zinc/42/44/66/425424466.db2.gz PKPDDYFXIMCSOR-LLVKDONJSA-N 1 3 316.243 2.073 20 0 DEADHO C[NH+]1CCC(C)(CNC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000654731872 425426279 /nfs/dbraw/zinc/42/62/79/425426279.db2.gz OHQGXIZDJUBNHF-CVEARBPZSA-N 1 3 322.497 2.034 20 0 DEADHO CC[C@H](NCC1CC[NH+](C2CCOCC2)CC1)c1ccn(C)n1 ZINC000658071250 425434117 /nfs/dbraw/zinc/43/41/17/425434117.db2.gz WQFYRUMWKZNFRN-KRWDZBQOSA-N 1 3 320.481 2.352 20 0 DEADHO Cc1cc([C@H](C)NCC2CC[NH+](C3CCOCC3)CC2)nn1C ZINC000658071402 425434379 /nfs/dbraw/zinc/43/43/79/425434379.db2.gz WXWAVFMAGWPARO-HNNXBMFYSA-N 1 3 320.481 2.270 20 0 DEADHO CC(C)(C)N1CC[C@H]([NH2+]C2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000658095724 425438213 /nfs/dbraw/zinc/43/82/13/425438213.db2.gz KPDSQFFALXCOCH-DLBZAZTESA-N 1 3 309.498 2.092 20 0 DEADHO COC(C)(C)[C@@H](C)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658138028 425443428 /nfs/dbraw/zinc/44/34/28/425443428.db2.gz MALBWJKTXPODAS-PBHICJAKSA-N 1 3 306.450 2.156 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2C[C@@H](O)C23CCC3)[C@@H](C)C1 ZINC000658255706 425461760 /nfs/dbraw/zinc/46/17/60/425461760.db2.gz SHEYUTMWLWZLJD-MWDXBVQZSA-N 1 3 310.482 2.017 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2C[C@@H](O)C23CCC3)[C@@H](C)C1 ZINC000658255706 425461762 /nfs/dbraw/zinc/46/17/62/425461762.db2.gz SHEYUTMWLWZLJD-MWDXBVQZSA-N 1 3 310.482 2.017 20 0 DEADHO CCCN1CC[C@H]([NH2+][C@@H]2CCN(CCCOCC)C[C@@H]2C)C1 ZINC000658286466 425467054 /nfs/dbraw/zinc/46/70/54/425467054.db2.gz AEHAQNIJFWLVBI-OKZBNKHCSA-N 1 3 311.514 2.197 20 0 DEADHO CN(C[C@@H]1CCCN1C)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000661854085 425513618 /nfs/dbraw/zinc/51/36/18/425513618.db2.gz HANMTAPKHKEUMT-RDJZCZTQSA-N 1 3 322.497 2.129 20 0 DEADHO CN(C[C@@H]1CCCN1C)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000661854085 425513622 /nfs/dbraw/zinc/51/36/22/425513622.db2.gz HANMTAPKHKEUMT-RDJZCZTQSA-N 1 3 322.497 2.129 20 0 DEADHO CCCN1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000661858776 425515094 /nfs/dbraw/zinc/51/50/94/425515094.db2.gz VPGKUBVPLYMFTJ-HOTGVXAUSA-N 1 3 322.497 2.177 20 0 DEADHO CCCN1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000661858776 425515095 /nfs/dbraw/zinc/51/50/95/425515095.db2.gz VPGKUBVPLYMFTJ-HOTGVXAUSA-N 1 3 322.497 2.177 20 0 DEADHO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1(N)CCCC1 ZINC000665249229 425528489 /nfs/dbraw/zinc/52/84/89/425528489.db2.gz LUWNJCFMBCBTIM-CYBMUJFWSA-N 1 3 305.422 2.273 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@H]2CCN2C(C)(C)C)C1 ZINC000665365660 425555050 /nfs/dbraw/zinc/55/50/50/425555050.db2.gz IQNHYKCYSCFYKQ-HUUCEWRRSA-N 1 3 310.486 2.031 20 0 DEADHO CC(C)(C)N1CC[C@H]1CNC(=O)NCCC[NH2+]C1CCCCC1 ZINC000665368672 425556162 /nfs/dbraw/zinc/55/61/62/425556162.db2.gz YJSXCHKPQPQNBS-INIZCTEOSA-N 1 3 324.513 2.471 20 0 DEADHO CO[C@@H](C[N@@H+]1C[C@H](CN)C2(C1)CCOCC2)C1CCCCC1 ZINC000662272296 425610372 /nfs/dbraw/zinc/61/03/72/425610372.db2.gz DOTWBACCEKQYHT-IRXDYDNUSA-N 1 3 310.482 2.269 20 0 DEADHO CO[C@@H](C[N@H+]1C[C@H](CN)C2(C1)CCOCC2)C1CCCCC1 ZINC000662272296 425610373 /nfs/dbraw/zinc/61/03/73/425610373.db2.gz DOTWBACCEKQYHT-IRXDYDNUSA-N 1 3 310.482 2.269 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)CC1CCCC1 ZINC000665640024 425610706 /nfs/dbraw/zinc/61/07/06/425610706.db2.gz MAFOJEXELDTPOA-HNNXBMFYSA-N 1 3 312.502 2.090 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)CC1CCCC1 ZINC000665640024 425610709 /nfs/dbraw/zinc/61/07/09/425610709.db2.gz MAFOJEXELDTPOA-HNNXBMFYSA-N 1 3 312.502 2.090 20 0 DEADHO [NH3+]Cc1ccc(CNC(=O)C[C@@H]2NCc3ccccc32)c(F)c1 ZINC000659327342 425578693 /nfs/dbraw/zinc/57/86/93/425578693.db2.gz BMKGYBWCQCNEAY-KRWDZBQOSA-N 1 3 313.376 2.135 20 0 DEADHO C[C@H]([NH2+]C[C@H]1CCC2(CNC2)O1)c1cccc(-n2cccn2)c1 ZINC000662281346 425611395 /nfs/dbraw/zinc/61/13/95/425611395.db2.gz JSNIBQQTNBXDHC-WMLDXEAASA-N 1 3 312.417 2.044 20 0 DEADHO C[NH+](C)CCC1CCN(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC1 ZINC000665556829 425596333 /nfs/dbraw/zinc/59/63/33/425596333.db2.gz FSSIHMQBBXOYRZ-MRXNPFEDSA-N 1 3 324.513 2.233 20 0 DEADHO Fc1ccc(OC2CCN(C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000662255478 425601110 /nfs/dbraw/zinc/60/11/10/425601110.db2.gz YVUHJIICLPZWJQ-KRWDZBQOSA-N 1 3 320.408 2.190 20 0 DEADHO c1ccc2c(c1)COC21CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662258447 425604729 /nfs/dbraw/zinc/60/47/29/425604729.db2.gz XIOMOPDMKCHJQG-MRXNPFEDSA-N 1 3 314.429 2.029 20 0 DEADHO C[NH2+]C[C@H](C)NC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000659454905 425607120 /nfs/dbraw/zinc/60/71/20/425607120.db2.gz PSGFPUWIWFFCCZ-UONOGXRCSA-N 1 3 306.454 2.023 20 0 DEADHO CN(CCNC(=O)c1cccc2c1C[NH2+]C2)Cc1ccccc1 ZINC000662402639 425643292 /nfs/dbraw/zinc/64/32/92/425643292.db2.gz MFINSJMDESTTLX-UHFFFAOYSA-N 1 3 309.413 2.152 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000662474046 425659943 /nfs/dbraw/zinc/65/99/43/425659943.db2.gz QUSIZSHFJZOBRE-VNHYZAJKSA-N 1 3 309.479 2.245 20 0 DEADHO C[NH+](C)C[C@H]1CCCCN1C(=O)C[C@H]1NCc2ccccc21 ZINC000662484569 425662470 /nfs/dbraw/zinc/66/24/70/425662470.db2.gz KSXBQQWJGMGGNX-NVXWUHKLSA-N 1 3 301.434 2.164 20 0 DEADHO C[C@@H](C(=O)N1CCCCC1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292190 425616032 /nfs/dbraw/zinc/61/60/32/425616032.db2.gz CBCSJCPVGGDYNO-DOTOQJQBSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCC[C@H](C3CC[NH2+]CC3)C2)C1 ZINC000662294122 425616364 /nfs/dbraw/zinc/61/63/64/425616364.db2.gz JDTSXFCGLNSGHP-NUJGCVRESA-N 1 3 321.509 2.203 20 0 DEADHO CCC(C)(C)NC(=O)[C@@H](C)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294069 425616440 /nfs/dbraw/zinc/61/64/40/425616440.db2.gz ASMJJJWRPYICAQ-ZBFHGGJFSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H](C(=O)N1CCCCCC1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295247 425616949 /nfs/dbraw/zinc/61/69/49/425616949.db2.gz GGKLXEDMORMHDH-WMZOPIPTSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CCCN(CC(=O)NCc2cccs2)[C@@H]1CCC[NH3+] ZINC000662313669 425621055 /nfs/dbraw/zinc/62/10/55/425621055.db2.gz VIICKFMUVWVDEO-UKRRQHHQSA-N 1 3 309.479 2.204 20 0 DEADHO C[C@H](C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)N1CCC[C@@H](C)C1 ZINC000655690100 425629762 /nfs/dbraw/zinc/62/97/62/425629762.db2.gz VMNQEYQRBSQUJP-LMMKCTJWSA-N 1 3 323.525 2.340 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)NCCC[NH+]1CCCCC1 ZINC000662356540 425630824 /nfs/dbraw/zinc/63/08/24/425630824.db2.gz PIVOWQPMDKVGNW-KRWDZBQOSA-N 1 3 301.434 2.213 20 0 DEADHO C[C@@H]1CCCN(C(C)(C)C[NH2+]C2CCN([C@@H]3CCOC3)CC2)C1 ZINC000655698739 425632290 /nfs/dbraw/zinc/63/22/90/425632290.db2.gz WCTCTEYPIDBLEV-SJLPKXTDSA-N 1 3 323.525 2.340 20 0 DEADHO CC[C@H]1CCCCN1CC[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000655712898 425634170 /nfs/dbraw/zinc/63/41/70/425634170.db2.gz UOPYJXIFXFVPMG-ROUUACIJSA-N 1 3 309.498 2.094 20 0 DEADHO CC[C@H]1[C@H](C)CCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665761431 425640316 /nfs/dbraw/zinc/64/03/16/425640316.db2.gz CRLYEJQBIZBHEU-PMPSAXMXSA-N 1 3 312.502 2.088 20 0 DEADHO CC[C@H]1[C@H](C)CCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665761431 425640318 /nfs/dbraw/zinc/64/03/18/425640318.db2.gz CRLYEJQBIZBHEU-PMPSAXMXSA-N 1 3 312.502 2.088 20 0 DEADHO CN1CCCN(CCC[NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000655730272 425640444 /nfs/dbraw/zinc/64/04/44/425640444.db2.gz QXDACQSVIGHLJL-UHFFFAOYSA-N 1 3 300.450 2.285 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000655962664 425694576 /nfs/dbraw/zinc/69/45/76/425694576.db2.gz AFCNPVSTVXAPTA-HUUCEWRRSA-N 1 3 310.486 2.020 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)NCC1([NH3+])CCCC1 ZINC000662650796 425702901 /nfs/dbraw/zinc/70/29/01/425702901.db2.gz IEAWHOPXPABKNU-UHFFFAOYSA-N 1 3 315.417 2.496 20 0 DEADHO CN(C)Cc1ccccc1CNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662672002 425707541 /nfs/dbraw/zinc/70/75/41/425707541.db2.gz RDDAZSGXEYPJBJ-UHFFFAOYSA-N 1 3 301.434 2.039 20 0 DEADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc2c(c1)CNC2 ZINC000662693835 425713680 /nfs/dbraw/zinc/71/36/80/425713680.db2.gz LYPDDHRKELHKQA-AWEZNQCLSA-N 1 3 301.434 2.140 20 0 DEADHO C[C@H](NC(=O)c1cccc2c1CCNC2)C(C)(C)C[NH+](C)C ZINC000662744368 425726216 /nfs/dbraw/zinc/72/62/16/425726216.db2.gz CRLLBLAFAUNGED-ZDUSSCGKSA-N 1 3 303.450 2.038 20 0 DEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc3c2CCNC3)[C@@H](C)C1 ZINC000662744731 425726823 /nfs/dbraw/zinc/72/68/23/425726823.db2.gz GTHOBQKPGQNSDD-KBXCAEBGSA-N 1 3 315.461 2.135 20 0 DEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc3c2CCNC3)[C@@H](C)C1 ZINC000662744731 425726825 /nfs/dbraw/zinc/72/68/25/425726825.db2.gz GTHOBQKPGQNSDD-KBXCAEBGSA-N 1 3 315.461 2.135 20 0 DEADHO CCC[NH+]1CCC(NC(=O)NC[C@H]2CCN2C(C)(C)C)CC1 ZINC000660249678 425775372 /nfs/dbraw/zinc/77/53/72/425775372.db2.gz BCAQCDCPLXKFKB-OAHLLOKOSA-N 1 3 310.486 2.033 20 0 DEADHO CC[C@](C)(N)c1cn(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656468683 425776374 /nfs/dbraw/zinc/77/63/74/425776374.db2.gz RAXHPMLNXYGWCI-AEFFLSMTSA-N 1 3 313.449 2.384 20 0 DEADHO CC[C@](C)(N)c1cn(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656468683 425776376 /nfs/dbraw/zinc/77/63/76/425776376.db2.gz RAXHPMLNXYGWCI-AEFFLSMTSA-N 1 3 313.449 2.384 20 0 DEADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000662840059 425745571 /nfs/dbraw/zinc/74/55/71/425745571.db2.gz XFRAWVQQNKKTKX-ZOFXXKQRSA-N 1 3 305.466 2.040 20 0 DEADHO CO[C@@H](CN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1CCCC1 ZINC000660140992 425750883 /nfs/dbraw/zinc/75/08/83/425750883.db2.gz QGHAKPITWDIINS-MOPGFXCFSA-N 1 3 323.525 2.292 20 0 DEADHO CO[C@@H](CN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)C1CCCC1 ZINC000660140992 425750885 /nfs/dbraw/zinc/75/08/85/425750885.db2.gz QGHAKPITWDIINS-MOPGFXCFSA-N 1 3 323.525 2.292 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N(CC)CC ZINC000662868031 425752624 /nfs/dbraw/zinc/75/26/24/425752624.db2.gz RNVLVLGNCJQQJS-KZNAEPCWSA-N 1 3 317.477 2.369 20 0 DEADHO CCC(CC)(C[NH3+])C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000662881660 425755130 /nfs/dbraw/zinc/75/51/30/425755130.db2.gz AKJVLAKOEUXLJV-HNNXBMFYSA-N 1 3 305.422 2.051 20 0 DEADHO CCN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1CCN(C)C1 ZINC000663409011 425836411 /nfs/dbraw/zinc/83/64/11/425836411.db2.gz JQXRNPAJAGDAEN-CQSZACIVSA-N 1 3 310.486 2.031 20 0 DEADHO C[C@@H]([NH3+])C[C@@H](C)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000423142588 269115367 /nfs/dbraw/zinc/11/53/67/269115367.db2.gz AQBMIXFYCYFRIR-VXGBXAGGSA-N 1 3 318.870 2.219 20 0 DEADHO CC[NH+](CC)CCCC1CCN(C[C@H]2CN(C)C(=O)O2)CC1 ZINC000495733248 269173241 /nfs/dbraw/zinc/17/32/41/269173241.db2.gz ZOWYLEFSSMOJHX-MRXNPFEDSA-N 1 3 311.470 2.271 20 0 DEADHO CN1CCC2(CCC[N@@H+]2CCCNC(=O)OC(C)(C)C)CC1 ZINC000495959775 269188169 /nfs/dbraw/zinc/18/81/69/269188169.db2.gz JPKSKBLTPJQJHI-UHFFFAOYSA-N 1 3 311.470 2.461 20 0 DEADHO CN1CCC2(CCC[N@H+]2CCCNC(=O)OC(C)(C)C)CC1 ZINC000495959775 269188171 /nfs/dbraw/zinc/18/81/71/269188171.db2.gz JPKSKBLTPJQJHI-UHFFFAOYSA-N 1 3 311.470 2.461 20 0 DEADHO C[C@H](C[NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)CN(C)C ZINC000496004747 269191970 /nfs/dbraw/zinc/19/19/70/269191970.db2.gz LNLSBWTZEWXUJJ-HZSPNIEDSA-N 1 3 301.475 2.466 20 0 DEADHO NC(=O)OC[C@H](Cc1ccccc1)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000496327008 269211999 /nfs/dbraw/zinc/21/19/99/269211999.db2.gz NBLMRPGWCFLIGR-HRCADAONSA-N 1 3 305.422 2.214 20 0 DEADHO O=C1O[C@]2(CN1CN1CC[C@@H]3CCCC[C@@H]31)C[NH+]1CCC2CC1 ZINC000496326762 269212093 /nfs/dbraw/zinc/21/20/93/269212093.db2.gz LWWJREUTNGGGIM-ZVZYQTTQSA-N 1 3 319.449 2.125 20 0 DEADHO CC[C@H]([NH3+])CNC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496646119 269236788 /nfs/dbraw/zinc/23/67/88/269236788.db2.gz ZVIHVLGODBNKOK-HNNXBMFYSA-N 1 3 305.422 2.115 20 0 DEADHO C[C@@H]1C[N@H+](C)CC[C@H]1N[C@@H](COC(N)=O)Cc1ccccc1 ZINC000496759641 269249311 /nfs/dbraw/zinc/24/93/11/269249311.db2.gz OOTYFYXBMLNXLE-FVQBIDKESA-N 1 3 305.422 2.037 20 0 DEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@@H](COC(N)=O)Cc1ccccc1 ZINC000496759641 269249312 /nfs/dbraw/zinc/24/93/12/269249312.db2.gz OOTYFYXBMLNXLE-FVQBIDKESA-N 1 3 305.422 2.037 20 0 DEADHO CC(C)([NH3+])CNCC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496908412 269265345 /nfs/dbraw/zinc/26/53/45/269265345.db2.gz FDAQZHUPUMSBPR-UHFFFAOYSA-N 1 3 319.449 2.362 20 0 DEADHO COC(=O)Nc1ccc(CC[NH2+][C@H]2CCNCC[C@H]2C)cc1 ZINC000496976372 269272827 /nfs/dbraw/zinc/27/28/27/269272827.db2.gz GKWYNDAHISQFPG-CJNGLKHVSA-N 1 3 305.422 2.385 20 0 DEADHO COC(=O)Nc1ccc(CCN[C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000496976372 269272828 /nfs/dbraw/zinc/27/28/28/269272828.db2.gz GKWYNDAHISQFPG-CJNGLKHVSA-N 1 3 305.422 2.385 20 0 DEADHO O=C1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CN1 ZINC000499155553 269303941 /nfs/dbraw/zinc/30/39/41/269303941.db2.gz ZQIAKBRLZAOIFX-XLAORIBOSA-N 1 3 313.445 2.050 20 0 DEADHO O=C1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CN1 ZINC000499155553 269303942 /nfs/dbraw/zinc/30/39/42/269303942.db2.gz ZQIAKBRLZAOIFX-XLAORIBOSA-N 1 3 313.445 2.050 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000514799697 269332348 /nfs/dbraw/zinc/33/23/48/269332348.db2.gz VHXHAZSQKNPEPZ-NVXWUHKLSA-N 1 3 324.513 2.314 20 0 DEADHO C[C@@H](Cc1ccsc1)[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000515473858 269350707 /nfs/dbraw/zinc/35/07/07/269350707.db2.gz BKOURWDNPXBTGD-AWEZNQCLSA-N 1 3 323.506 2.069 20 0 DEADHO C[C@@H](CC(N)=O)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000290200237 274207326 /nfs/dbraw/zinc/20/73/26/274207326.db2.gz PBBDZRRRAVHRIW-RDJZCZTQSA-N 1 3 303.450 2.142 20 0 DEADHO C[C@@H](CC(N)=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000290200237 274207327 /nfs/dbraw/zinc/20/73/27/274207327.db2.gz PBBDZRRRAVHRIW-RDJZCZTQSA-N 1 3 303.450 2.142 20 0 DEADHO C[C@@H](CC(N)=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290200237 274207328 /nfs/dbraw/zinc/20/73/28/274207328.db2.gz PBBDZRRRAVHRIW-RDJZCZTQSA-N 1 3 303.450 2.142 20 0 DEADHO C[C@@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)C[C@@]1(C)C[NH3+] ZINC000423986048 274331816 /nfs/dbraw/zinc/33/18/16/274331816.db2.gz SJQOWAVSOGUBFX-DNVCBOLYSA-N 1 3 315.461 2.339 20 0 DEADHO O[C@]1(C[NH2+]C2CCN(c3ccncc3)CC2)CCc2ccccc21 ZINC000294123002 275060010 /nfs/dbraw/zinc/06/00/10/275060010.db2.gz DXSFLTKLYIBLOJ-FQEVSTJZSA-N 1 3 323.440 2.474 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)[NH+]1CCCCC1 ZINC000440924793 276013881 /nfs/dbraw/zinc/01/38/81/276013881.db2.gz JZPKFPXVVIFEIT-HLLBOEOZSA-N 1 3 307.482 2.238 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000261657592 276058324 /nfs/dbraw/zinc/05/83/24/276058324.db2.gz AHDRQRTUVWNGKW-BRWVUGGUSA-N 1 3 303.450 2.301 20 0 DEADHO CCN(C(=O)[C@H]1CC[NH2+]1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000444159165 276064384 /nfs/dbraw/zinc/06/43/84/276064384.db2.gz ITLGKFPEZJOCLX-HYVNUMGLSA-N 1 3 301.434 2.032 20 0 DEADHO CC1CCC(O)(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000130427921 276191836 /nfs/dbraw/zinc/19/18/36/276191836.db2.gz OZZBFFCPYZLWQE-XBMUEBEBSA-N 1 3 323.525 2.030 20 0 DEADHO CC1CCC(O)(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000130427921 276191838 /nfs/dbraw/zinc/19/18/38/276191838.db2.gz OZZBFFCPYZLWQE-XBMUEBEBSA-N 1 3 323.525 2.030 20 0 DEADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3C[C@@H](C)CCN3)C2)CC1 ZINC000423361340 276198549 /nfs/dbraw/zinc/19/85/49/276198549.db2.gz RQUGRCAQMDGINF-OKZBNKHCSA-N 1 3 321.509 2.345 20 0 DEADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)[C@@H](C)OC)CC1 ZINC000359989455 276385546 /nfs/dbraw/zinc/38/55/46/276385546.db2.gz YDYSPKCEMLFULC-DLBZAZTESA-N 1 3 319.493 2.337 20 0 DEADHO C[NH2+]CCN(C)C(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000237297974 277269930 /nfs/dbraw/zinc/26/99/30/277269930.db2.gz BBBUFPJIUFRPPU-MRXNPFEDSA-N 1 3 317.477 2.007 20 0 DEADHO CC(C)(CO)CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423158587 277304109 /nfs/dbraw/zinc/30/41/09/277304109.db2.gz OGBGDOKADLQHDT-QAPCUYQASA-N 1 3 304.434 2.241 20 0 DEADHO CC(C)CC1(C[NH2+]C[C@@H]2CCCN(C(=O)CN)C2)CCCC1 ZINC000415076022 277348841 /nfs/dbraw/zinc/34/88/41/277348841.db2.gz CCXMWOAIVAWNSX-INIZCTEOSA-N 1 3 309.498 2.380 20 0 DEADHO CC(C)[C@@H](CNC(=O)[C@H]1C[C@@H](C)CCN1)[NH+]1CCC(C)CC1 ZINC000423322816 277743140 /nfs/dbraw/zinc/74/31/40/277743140.db2.gz IRZHVGVINKPJST-GVDBMIGSSA-N 1 3 309.498 2.247 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@H]2CCCN2C2CC2)C1 ZINC000494263912 278002504 /nfs/dbraw/zinc/00/25/04/278002504.db2.gz BRCKOCIDHTXLAI-SOLBZPMBSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H]2CCCN2C2CC2)C1 ZINC000494263912 278002506 /nfs/dbraw/zinc/00/25/06/278002506.db2.gz BRCKOCIDHTXLAI-SOLBZPMBSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](CNC(=O)C[C@H](N)c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000448236418 278197804 /nfs/dbraw/zinc/19/78/04/278197804.db2.gz BHKOMBSVSJVITK-INMHGKMJSA-N 1 3 303.450 2.456 20 0 DEADHO C[C@H](CNC(=O)C[C@H](N)c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000448236418 278197805 /nfs/dbraw/zinc/19/78/05/278197805.db2.gz BHKOMBSVSJVITK-INMHGKMJSA-N 1 3 303.450 2.456 20 0 DEADHO C[C@H](NC1CC1)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000449118927 278253308 /nfs/dbraw/zinc/25/33/08/278253308.db2.gz UZXQHNDJAKOHFD-JKSUJKDBSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]([NH2+]C1CC1)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000449135441 278253429 /nfs/dbraw/zinc/25/34/29/278253429.db2.gz POBDPFOSJAPPML-WOSRLPQWSA-N 1 3 321.490 2.388 20 0 DEADHO CC[C@H]([NH2+]CCCN(C)C)c1ccccc1OCC(=O)N(C)C ZINC000268696283 288039729 /nfs/dbraw/zinc/03/97/29/288039729.db2.gz BZGLKEAOYZYSGU-INIZCTEOSA-N 1 3 321.465 2.146 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000303476767 279281072 /nfs/dbraw/zinc/28/10/72/279281072.db2.gz OYOYXDQRLFUHDI-INIZCTEOSA-N 1 3 324.513 2.425 20 0 DEADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@@H](C)O1 ZINC000339015564 288156914 /nfs/dbraw/zinc/15/69/14/288156914.db2.gz ZQPGTOHHDODRIJ-NUJGCVRESA-N 1 3 310.482 2.377 20 0 DEADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCCN(C2CCCC2)CC1 ZINC000353448442 280068325 /nfs/dbraw/zinc/06/83/25/280068325.db2.gz MNNSDDMOUIQWPF-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433607632 280099599 /nfs/dbraw/zinc/09/95/99/280099599.db2.gz IEQLQWPPBIEJOD-ZBFHGGJFSA-N 1 3 310.486 2.033 20 0 DEADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433607632 280099600 /nfs/dbraw/zinc/09/96/00/280099600.db2.gz IEQLQWPPBIEJOD-ZBFHGGJFSA-N 1 3 310.486 2.033 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000290076384 280571023 /nfs/dbraw/zinc/57/10/23/280571023.db2.gz VUMCPVBNUPHELJ-KKUMJFAQSA-N 1 3 321.490 2.389 20 0 DEADHO CN(C)C/C=C\C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000491893540 289040702 /nfs/dbraw/zinc/04/07/02/289040702.db2.gz PLDULWXPNOLBAE-KTKRTIGZSA-N 1 3 307.482 2.409 20 0 DEADHO C[C@@H]1[C@H](NC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CCCN1C ZINC000418012730 289051238 /nfs/dbraw/zinc/05/12/38/289051238.db2.gz YFAUSCIMJQVTQK-TWMKSMIVSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCN2CCCOCC2)C1 ZINC000429682526 290390978 /nfs/dbraw/zinc/39/09/78/290390978.db2.gz GTZJJMCZXOZCBI-RBUKOAKNSA-N 1 3 323.525 2.295 20 0 DEADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCN2CCCOCC2)C1 ZINC000429682526 290390979 /nfs/dbraw/zinc/39/09/79/290390979.db2.gz GTZJJMCZXOZCBI-RBUKOAKNSA-N 1 3 323.525 2.295 20 0 DEADHO [NH3+]CC[C@H]1CCCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000443062654 295240290 /nfs/dbraw/zinc/24/02/90/295240290.db2.gz UPXXEMPFHKBGKY-DGTBMVLOSA-N 1 3 319.493 2.132 20 0 DEADHO NC[C@@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccccc1 ZINC000178752017 295240934 /nfs/dbraw/zinc/24/09/34/295240934.db2.gz RDFDSSGPGZKBQU-GOSISDBHSA-N 1 3 315.461 2.206 20 0 DEADHO NC[C@@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccccc1 ZINC000178752017 295240937 /nfs/dbraw/zinc/24/09/37/295240937.db2.gz RDFDSSGPGZKBQU-GOSISDBHSA-N 1 3 315.461 2.206 20 0 DEADHO NC[C@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000237807225 295261049 /nfs/dbraw/zinc/26/10/49/295261049.db2.gz BTBIQJGWWZUZBH-WMZOPIPTSA-N 1 3 315.461 2.063 20 0 DEADHO N[C@@H](CC1CCCCC1)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423647602 295293966 /nfs/dbraw/zinc/29/39/66/295293966.db2.gz XZYDYHWJJPSNGR-IRXDYDNUSA-N 1 3 307.482 2.132 20 0 DEADHO C[C@H](C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CCCCCC1 ZINC000449198492 298039252 /nfs/dbraw/zinc/03/92/52/298039252.db2.gz BWDDGDLJOBMVEI-IKGGRYGDSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H](C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C)N1CCCCCC1 ZINC000346153159 298083594 /nfs/dbraw/zinc/08/35/94/298083594.db2.gz FRVCRDXKUDLLRN-BBWFWOEESA-N 1 3 307.482 2.336 20 0 DEADHO C[C@H](C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C)N1CCCCCC1 ZINC000342445001 298105559 /nfs/dbraw/zinc/10/55/59/298105559.db2.gz RCIIBYRYJCFXGB-BRWVUGGUSA-N 1 3 307.482 2.336 20 0 DEADHO C[C@H](CCCC[NH3+])NC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000418184269 298389487 /nfs/dbraw/zinc/38/94/87/298389487.db2.gz PRMMIMKPQYAUOT-INMHGKMJSA-N 1 3 320.481 2.495 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420806637 298568032 /nfs/dbraw/zinc/56/80/32/298568032.db2.gz PQNGLHXCGNKDGO-QQFBHYJXSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(CN(C)C)cc1 ZINC000288328923 300421385 /nfs/dbraw/zinc/42/13/85/300421385.db2.gz JGSRTMVYJQJDTR-MAUKXSAKSA-N 1 3 315.461 2.447 20 0 DEADHO CCC[N@H+](C)CCC(=O)NC[C@H]1CN(C(C)C)CCC1(F)F ZINC001423745696 1173522382 /nfs/dbraw/zinc/52/23/82/1173522382.db2.gz DRWDDKDIHXPAPI-AWEZNQCLSA-N 1 3 319.440 2.200 20 0 DEADHO CCC[N@@H+](C)CCC(=O)NC[C@H]1CN(C(C)C)CCC1(F)F ZINC001423745696 1173522388 /nfs/dbraw/zinc/52/23/88/1173522388.db2.gz DRWDDKDIHXPAPI-AWEZNQCLSA-N 1 3 319.440 2.200 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000414688347 303365473 /nfs/dbraw/zinc/36/54/73/303365473.db2.gz DCRYOMXHIWVYQT-INIZCTEOSA-N 1 3 307.482 2.230 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCCC3(CCCCC3)C2)C1 ZINC000414690542 303365866 /nfs/dbraw/zinc/36/58/66/303365866.db2.gz HRAPDCJWFCOAMF-MRXNPFEDSA-N 1 3 307.482 2.230 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCCC3(CCCCC3)C2)C1 ZINC000414690542 303365867 /nfs/dbraw/zinc/36/58/67/303365867.db2.gz HRAPDCJWFCOAMF-MRXNPFEDSA-N 1 3 307.482 2.230 20 0 DEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCNC(=O)/C=C\c1ccccc1 ZINC000493464084 303402332 /nfs/dbraw/zinc/40/23/32/303402332.db2.gz LCVDQHSVSRLKGR-IXTIOBCPSA-N 1 3 315.461 2.313 20 0 DEADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCCN(C)CCC(F)(F)F)C1 ZINC001424321542 1173758699 /nfs/dbraw/zinc/75/86/99/1173758699.db2.gz PKCUNSIKPSICFA-ZDUSSCGKSA-N 1 3 323.403 2.061 20 0 DEADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)CCC(F)(F)F)C1 ZINC001424321542 1173758702 /nfs/dbraw/zinc/75/87/02/1173758702.db2.gz PKCUNSIKPSICFA-ZDUSSCGKSA-N 1 3 323.403 2.061 20 0 DEADHO CC(C)[NH+]1CCC(N2CCN(C[C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000573613964 326074973 /nfs/dbraw/zinc/07/49/73/326074973.db2.gz NWPABEOPJUTMNH-MJGOQNOKSA-N 1 3 323.525 2.028 20 0 DEADHO Cc1ccc(NC(=O)CCNC[C@@H](C)C[NH+]2CCCC2)nc1 ZINC000573713361 326084837 /nfs/dbraw/zinc/08/48/37/326084837.db2.gz ZLQQXWGDBXCGNA-OAHLLOKOSA-N 1 3 304.438 2.040 20 0 DEADHO Cc1ccc(NC(=O)CC[NH2+]C[C@@H](C)CN2CCCC2)nc1 ZINC000573713361 326084840 /nfs/dbraw/zinc/08/48/40/326084840.db2.gz ZLQQXWGDBXCGNA-OAHLLOKOSA-N 1 3 304.438 2.040 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)NCc1ccc(C[NH3+])cc1 ZINC000574054295 326119276 /nfs/dbraw/zinc/11/92/76/326119276.db2.gz DHQMBTRBLRBRKW-OAHLLOKOSA-N 1 3 318.465 2.065 20 0 DEADHO CN(CCC[NH3+])C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000574059669 326119657 /nfs/dbraw/zinc/11/96/57/326119657.db2.gz PEXTVJOPHZLLKN-ZFWWWQNUSA-N 1 3 324.494 2.121 20 0 DEADHO CN1CCC[C@@]2(CCN(C(=O)Nc3ccc(C[NH3+])cc3)C2)C1 ZINC000574424934 326154057 /nfs/dbraw/zinc/15/40/57/326154057.db2.gz LVOAYWSHMDAWBP-QGZVFWFLSA-N 1 3 302.422 2.095 20 0 DEADHO CCC(CC)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000574864703 326194440 /nfs/dbraw/zinc/19/44/40/326194440.db2.gz VLJQNSGFTRPNSR-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCC[C@H](N)C3)CC2)cc1 ZINC000575331246 326235100 /nfs/dbraw/zinc/23/51/00/326235100.db2.gz NQHICEGJNDLXPI-FUHWJXTLSA-N 1 3 315.461 2.459 20 0 DEADHO C[NH+]1CCC(CCNC(=O)Nc2cccc3c2CCNC3)CC1 ZINC000575731645 326241236 /nfs/dbraw/zinc/24/12/36/326241236.db2.gz FXHMNRWYNASZFO-UHFFFAOYSA-N 1 3 316.449 2.186 20 0 DEADHO CSc1ccc([C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)N(C)C)cc1 ZINC000576426463 326292883 /nfs/dbraw/zinc/29/28/83/326292883.db2.gz JHYZLRAFRPABCF-ZBFHGGJFSA-N 1 3 321.490 2.079 20 0 DEADHO CSc1ccc([C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)N(C)C)cc1 ZINC000576426463 326292884 /nfs/dbraw/zinc/29/28/84/326292884.db2.gz JHYZLRAFRPABCF-ZBFHGGJFSA-N 1 3 321.490 2.079 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000576455846 326294666 /nfs/dbraw/zinc/29/46/66/326294666.db2.gz KOWVSRXDRHRNHK-RDGPPVDQSA-N 1 3 323.525 2.028 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000576455846 326294669 /nfs/dbraw/zinc/29/46/69/326294669.db2.gz KOWVSRXDRHRNHK-RDGPPVDQSA-N 1 3 323.525 2.028 20 0 DEADHO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1Cl)C1=CCN(C)CC1 ZINC000576745891 326315684 /nfs/dbraw/zinc/31/56/84/326315684.db2.gz CBTGLZQPZRNEGG-UKRRQHHQSA-N 1 3 324.852 2.320 20 0 DEADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc2c(c1)CNC2 ZINC000582486902 337097693 /nfs/dbraw/zinc/09/76/93/337097693.db2.gz SMISVVAWPWBZMS-KRWDZBQOSA-N 1 3 317.433 2.022 20 0 DEADHO Cc1cccc(OC[C@H](O)C[NH2+]C[C@@H](C)CN2CCCCC2)c1 ZINC000582601379 337112059 /nfs/dbraw/zinc/11/20/59/337112059.db2.gz KFGSWNGEXDIYQD-QZTJIDSGSA-N 1 3 320.477 2.446 20 0 DEADHO N[C@@H]1C[C@H]([NH2+]CCc2nnc3n2CCCCC3)c2ccccc21 ZINC000583137836 337243346 /nfs/dbraw/zinc/24/33/46/337243346.db2.gz HMOWRKZKLLGJLN-CVEARBPZSA-N 1 3 311.433 2.281 20 0 DEADHO CC(C)[C@H](C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)[C@H](C)[NH3+] ZINC000399356974 337315792 /nfs/dbraw/zinc/31/57/92/337315792.db2.gz GAISLXMBNQJJKK-JQHSSLGASA-N 1 3 317.477 2.339 20 0 DEADHO Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@H](C)C2=CCN(C)CC2)c1 ZINC000584406388 337320401 /nfs/dbraw/zinc/32/04/01/337320401.db2.gz FFOOILJDNOHESH-AEFFLSMTSA-N 1 3 318.461 2.283 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CNCc2ccccc21 ZINC000583810011 337336137 /nfs/dbraw/zinc/33/61/37/337336137.db2.gz RAQUHXVXQJOONA-WMZOPIPTSA-N 1 3 315.461 2.254 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CNCc2ccccc21 ZINC000583810011 337336138 /nfs/dbraw/zinc/33/61/38/337336138.db2.gz RAQUHXVXQJOONA-WMZOPIPTSA-N 1 3 315.461 2.254 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001376608716 1159595874 /nfs/dbraw/zinc/59/58/74/1159595874.db2.gz MKBANUVUYCAGCV-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]C/C=C\Cl)CCC1 ZINC001376734837 1159741795 /nfs/dbraw/zinc/74/17/95/1159741795.db2.gz HUXLDYJQXSOHCL-UQYHUFHVSA-N 1 3 313.873 2.240 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+](CC2CCCC2)C1)N(C)C ZINC001377436452 1160365689 /nfs/dbraw/zinc/36/56/89/1160365689.db2.gz CROFOWQNXXZNRG-SJORKVTESA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+](CC2CCCC2)C1)N(C)C ZINC001377436452 1160365697 /nfs/dbraw/zinc/36/56/97/1160365697.db2.gz CROFOWQNXXZNRG-SJORKVTESA-N 1 3 309.498 2.201 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001398220568 1160825164 /nfs/dbraw/zinc/82/51/64/1160825164.db2.gz DMVBBGKPNDNOLG-HZPDHXFCSA-N 1 3 313.461 2.047 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001398220568 1160825166 /nfs/dbraw/zinc/82/51/66/1160825166.db2.gz DMVBBGKPNDNOLG-HZPDHXFCSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1([NH2+]CC2CCC2)CCCC1)N(C)C ZINC001378693764 1152416857 /nfs/dbraw/zinc/41/68/57/1152416857.db2.gz ORDYWHOYDNXFAQ-INIZCTEOSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]CCC(F)(F)F)CCCC1)N(C)C ZINC001378713639 1152421721 /nfs/dbraw/zinc/42/17/21/1152421721.db2.gz HGMIMJMTKPWXDJ-LBPRGKRZSA-N 1 3 323.403 2.298 20 0 DEADHO C[C@@H](C[NH3+])N(C)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000417694248 533780069 /nfs/dbraw/zinc/78/00/69/533780069.db2.gz RUVIADADJVBLFP-GJZGRUSLSA-N 1 3 318.465 2.201 20 0 DEADHO COC(=O)c1cc(CN2CCC3(CC[NH2+]C3)CC2)c(C)s1 ZINC000420341871 533789281 /nfs/dbraw/zinc/78/92/81/533789281.db2.gz QMPYWTITMXXIJG-UHFFFAOYSA-N 1 3 308.447 2.419 20 0 DEADHO C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)C1 ZINC000422750162 533791563 /nfs/dbraw/zinc/79/15/63/533791563.db2.gz ADJRXXDDKVTXOY-MVJTYMMSSA-N 1 3 323.525 2.100 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@@H](C2CC2)[C@@H]2CNCCO2)C1 ZINC000422750162 533791572 /nfs/dbraw/zinc/79/15/72/533791572.db2.gz ADJRXXDDKVTXOY-MVJTYMMSSA-N 1 3 323.525 2.100 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@@H](C2CC2)[C@@H]2CNCCO2)C1 ZINC000422750162 533791581 /nfs/dbraw/zinc/79/15/81/533791581.db2.gz ADJRXXDDKVTXOY-MVJTYMMSSA-N 1 3 323.525 2.100 20 0 DEADHO CC1CC(C[NH+]2CC(CNC(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001400526976 1161762769 /nfs/dbraw/zinc/76/27/69/1161762769.db2.gz HQNLBSGLLLEOPS-UHFFFAOYSA-N 1 3 309.498 2.058 20 0 DEADHO COC(=O)c1cc2c(o1)c(OC)ccc2CN[C@H](C)CC[NH3+] ZINC000414896644 533936479 /nfs/dbraw/zinc/93/64/79/533936479.db2.gz PPJQQBOHYZBRAX-SNVBAGLBSA-N 1 3 306.362 2.055 20 0 DEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCN(C(=O)C1CCC1)C1CC1 ZINC000422958781 534066142 /nfs/dbraw/zinc/06/61/42/534066142.db2.gz PYDPEEWJCJRRTR-PBHICJAKSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC(C)(C)CC[NH3+])C1 ZINC000422590774 534131142 /nfs/dbraw/zinc/13/11/42/534131142.db2.gz BBLOWCINHIXRJU-ZBFHGGJFSA-N 1 3 318.465 2.249 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](N[C@H]2CCOC[C@H]2[C@H](C)[NH3+])C1 ZINC000422735929 534134716 /nfs/dbraw/zinc/13/47/16/534134716.db2.gz FORREXZVPQLJHN-PTIUUAQKSA-N 1 3 317.477 2.164 20 0 DEADHO C[C@@H]([NH3+])C1CCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)CC1 ZINC000417793341 534287718 /nfs/dbraw/zinc/28/77/18/534287718.db2.gz ZXVVSQUFRMOFJO-CJNGLKHVSA-N 1 3 303.450 2.298 20 0 DEADHO C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC([C@H](C)[NH3+])CC1 ZINC000430959001 534292018 /nfs/dbraw/zinc/29/20/18/534292018.db2.gz VIDRFHZWRARNMZ-UONOGXRCSA-N 1 3 321.440 2.232 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000339449890 518645376 /nfs/dbraw/zinc/64/53/76/518645376.db2.gz VETZQRUEBZQWBY-UHFFFAOYSA-N 1 3 324.513 2.236 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000111439154 521601538 /nfs/dbraw/zinc/60/15/38/521601538.db2.gz UOEUCYYNTOFTRF-INIZCTEOSA-N 1 3 310.486 2.033 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001402068225 1162235178 /nfs/dbraw/zinc/23/51/78/1162235178.db2.gz AJRYAKIGBODLAA-INIZCTEOSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H]1CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000368956277 523260359 /nfs/dbraw/zinc/26/03/59/523260359.db2.gz LACOONGAZYZTFL-MRXNPFEDSA-N 1 3 322.497 2.129 20 0 DEADHO Cc1cc(C)n(CCN2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000336869410 524526466 /nfs/dbraw/zinc/52/64/66/524526466.db2.gz BTJOYFMAHOJFSQ-UHFFFAOYSA-N 1 3 320.481 2.077 20 0 DEADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C23CCCN2CCC3)C1 ZINC000339253019 524882428 /nfs/dbraw/zinc/88/24/28/524882428.db2.gz ZZQQGVBXXHZSOC-HOTGVXAUSA-N 1 3 321.509 2.488 20 0 DEADHO COCCOCCN1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471833688 536498939 /nfs/dbraw/zinc/49/89/39/536498939.db2.gz LFLITOWHGSHKFZ-RBUKOAKNSA-N 1 3 320.477 2.322 20 0 DEADHO CC(=O)Nc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)N)cn1 ZINC000423088291 526984781 /nfs/dbraw/zinc/98/47/81/526984781.db2.gz PTTPUAUIYXSCKL-DYVFJYSZSA-N 1 3 312.417 2.088 20 0 DEADHO CC(=O)Nc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)N)cn1 ZINC000423088293 526987668 /nfs/dbraw/zinc/98/76/68/526987668.db2.gz PTTPUAUIYXSCKL-SUMWQHHRSA-N 1 3 312.417 2.088 20 0 DEADHO Cc1nccn1CCCC[N@H+]1CCN(C2CCOCC2)C[C@@H]1C ZINC000365144499 527396367 /nfs/dbraw/zinc/39/63/67/527396367.db2.gz NYCPADXZKMSTGC-INIZCTEOSA-N 1 3 320.481 2.157 20 0 DEADHO Cc1nccn1CCCC[N@@H+]1CCN(C2CCOCC2)C[C@@H]1C ZINC000365144499 527396370 /nfs/dbraw/zinc/39/63/70/527396370.db2.gz NYCPADXZKMSTGC-INIZCTEOSA-N 1 3 320.481 2.157 20 0 DEADHO CC(C)(C(=O)N[C@H](CC[NH3+])C(F)(F)F)[C@@H](N)c1ccccc1 ZINC000417826963 527533640 /nfs/dbraw/zinc/53/36/40/527533640.db2.gz FBCMBLRKZBSPRN-NEPJUHHUSA-N 1 3 317.355 2.109 20 0 DEADHO CC1(C)OCC[C@@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000294851809 527804823 /nfs/dbraw/zinc/80/48/23/527804823.db2.gz SMZYGEZFROWDSY-SFHVURJKSA-N 1 3 318.461 2.300 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](N)c2ccccc2)C[C@H]1C ZINC000418433153 527823339 /nfs/dbraw/zinc/82/33/39/527823339.db2.gz UBMFKQAGJMYHGF-PVAVHDDUSA-N 1 3 318.465 2.201 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](N)c2ccccc2)C[C@H]1C ZINC000418433153 527823342 /nfs/dbraw/zinc/82/33/42/527823342.db2.gz UBMFKQAGJMYHGF-PVAVHDDUSA-N 1 3 318.465 2.201 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418369694 528081752 /nfs/dbraw/zinc/08/17/52/528081752.db2.gz URUOKNBWMBTHEH-QGZVFWFLSA-N 1 3 324.513 2.411 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)N[C@H](C)CC[NH+](C)C)cc1 ZINC000417322415 528134424 /nfs/dbraw/zinc/13/44/24/528134424.db2.gz VTYSPBJFRRQKLQ-PBHICJAKSA-N 1 3 320.481 2.449 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCc1ccc2c(c1)CNC2 ZINC000418193631 528351039 /nfs/dbraw/zinc/35/10/39/528351039.db2.gz CIISTQGTHNBLFH-CQSZACIVSA-N 1 3 318.465 2.209 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCc1ccc2c(c1)CNC2 ZINC000418193631 528351043 /nfs/dbraw/zinc/35/10/43/528351043.db2.gz CIISTQGTHNBLFH-CQSZACIVSA-N 1 3 318.465 2.209 20 0 DEADHO CC(C)[C@@H]1CCCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000444773716 528667040 /nfs/dbraw/zinc/66/70/40/528667040.db2.gz SGHXEMBSUUERIC-MRXNPFEDSA-N 1 3 309.498 2.343 20 0 DEADHO CCN(Cc1ccc(C(=O)NC[C@@H](C)C[NH2+]C)cc1)C1CC1 ZINC000429242332 528775247 /nfs/dbraw/zinc/77/52/47/528775247.db2.gz SBRSBVWADRWJPX-AWEZNQCLSA-N 1 3 303.450 2.256 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H](C)CC[NH3+] ZINC000418535221 528779281 /nfs/dbraw/zinc/77/92/81/528779281.db2.gz YUXJHCSTDNSVHS-AWEZNQCLSA-N 1 3 306.454 2.017 20 0 DEADHO CCC(CC)[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)N1CCOCC1 ZINC000422816060 528855757 /nfs/dbraw/zinc/85/57/57/528855757.db2.gz DDFMEQNRUPNRFD-KSZLIROESA-N 1 3 311.514 2.231 20 0 DEADHO CCC(CC)[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])N1CCOCC1 ZINC000422816060 528855764 /nfs/dbraw/zinc/85/57/64/528855764.db2.gz DDFMEQNRUPNRFD-KSZLIROESA-N 1 3 311.514 2.231 20 0 DEADHO CC[NH+]1CCC(NC(=O)C(C)(C)[C@@H](N)c2ccccc2)CC1 ZINC000423300298 528976169 /nfs/dbraw/zinc/97/61/69/528976169.db2.gz DIFHPMCPNZWVRB-INIZCTEOSA-N 1 3 303.450 2.313 20 0 DEADHO CC(C)[C@H](C[NH2+][C@H](C1CC1)[C@H]1CNCCO1)N1CCCCCC1 ZINC000422969190 529015242 /nfs/dbraw/zinc/01/52/42/529015242.db2.gz ZAWACCOZNZQONP-IPMKNSEASA-N 1 3 323.525 2.244 20 0 DEADHO CC(C)[C@H](CN[C@H](C1CC1)[C@H]1CNCCO1)[NH+]1CCCCCC1 ZINC000422969190 529015246 /nfs/dbraw/zinc/01/52/46/529015246.db2.gz ZAWACCOZNZQONP-IPMKNSEASA-N 1 3 323.525 2.244 20 0 DEADHO CCN1CCN(Cc2ccc(N[C@H](C)C[C@H](C)[NH3+])cc2)CC1 ZINC000422916266 529149402 /nfs/dbraw/zinc/14/94/02/529149402.db2.gz DCYLSDUSLCBUPY-JKSUJKDBSA-N 1 3 304.482 2.362 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000417696034 529272233 /nfs/dbraw/zinc/27/22/33/529272233.db2.gz GKVJUPGIWLWEEC-BZUAXINKSA-N 1 3 310.486 2.020 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000331865659 529272614 /nfs/dbraw/zinc/27/26/14/529272614.db2.gz BXVVMEBBAGYXBA-HZMVEIRTSA-N 1 3 322.497 2.020 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](N)c1ccccc1 ZINC000417709274 529272709 /nfs/dbraw/zinc/27/27/09/529272709.db2.gz WOKHGEMVUSQTQL-IAGOWNOFSA-N 1 3 318.465 2.250 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](N)c1ccccc1 ZINC000417709274 529272711 /nfs/dbraw/zinc/27/27/11/529272711.db2.gz WOKHGEMVUSQTQL-IAGOWNOFSA-N 1 3 318.465 2.250 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC000362893681 535133187 /nfs/dbraw/zinc/13/31/87/535133187.db2.gz SWBATWDQMYJAJQ-INIZCTEOSA-N 1 3 317.477 2.456 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC000362893681 535133192 /nfs/dbraw/zinc/13/31/92/535133192.db2.gz SWBATWDQMYJAJQ-INIZCTEOSA-N 1 3 317.477 2.456 20 0 DEADHO CCN(C(=O)/C=C/C[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000373421660 535652216 /nfs/dbraw/zinc/65/22/16/535652216.db2.gz JDNMOIHHLYSGEN-MZEUMTGBSA-N 1 3 315.461 2.227 20 0 DEADHO CCC[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cccnc1 ZINC000349445565 535704116 /nfs/dbraw/zinc/70/41/16/535704116.db2.gz FVCIYUVKOGBVLO-SJORKVTESA-N 1 3 318.465 2.100 20 0 DEADHO CN(C)CCOc1cccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000261975935 535913881 /nfs/dbraw/zinc/91/38/81/535913881.db2.gz QTPNLEBSELDOKI-UONOGXRCSA-N 1 3 305.422 2.083 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309902553 535953933 /nfs/dbraw/zinc/95/39/33/535953933.db2.gz PHERICSAWQQECX-JQHSSLGASA-N 1 3 317.477 2.388 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309902553 535953937 /nfs/dbraw/zinc/95/39/37/535953937.db2.gz PHERICSAWQQECX-JQHSSLGASA-N 1 3 317.477 2.388 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCCC23CC[NH+](C)CC3)c1 ZINC000374318949 536022221 /nfs/dbraw/zinc/02/22/21/536022221.db2.gz UGBYYPMRFFFITH-UHFFFAOYSA-N 1 3 315.461 2.449 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000247322108 536024235 /nfs/dbraw/zinc/02/42/35/536024235.db2.gz SOSZQYJCJRFJPY-ZWKOTPCHSA-N 1 3 315.461 2.305 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000247322108 536024241 /nfs/dbraw/zinc/02/42/41/536024241.db2.gz SOSZQYJCJRFJPY-ZWKOTPCHSA-N 1 3 315.461 2.305 20 0 DEADHO CN(C)Cc1cccc(NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000377743885 536037914 /nfs/dbraw/zinc/03/79/14/536037914.db2.gz KHZFIJLIOHMILR-DLBZAZTESA-N 1 3 301.434 2.322 20 0 DEADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000449097641 536354151 /nfs/dbraw/zinc/35/41/51/536354151.db2.gz FFJFCRRXGWXOEA-SJORKVTESA-N 1 3 319.493 2.300 20 0 DEADHO CN1CCC[C@H](CNC(=O)C[NH2+]CC2CC2)[C@H]1c1cccs1 ZINC000252671427 536385826 /nfs/dbraw/zinc/38/58/26/536385826.db2.gz VSMATHBABLGFBD-PBHICJAKSA-N 1 3 321.490 2.247 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CC1CC1)C1CC1 ZINC001379015023 1152531873 /nfs/dbraw/zinc/53/18/73/1152531873.db2.gz OJOAWDKPPAESOS-IRXDYDNUSA-N 1 3 307.482 2.096 20 0 DEADHO Cc1cc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CN(C)C(C)C)C2)cs1 ZINC001379593006 1152648244 /nfs/dbraw/zinc/64/82/44/1152648244.db2.gz XGWNKRNPQYBHTQ-XJKSGUPXSA-N 1 3 323.506 2.476 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CCC[N@@H+](C)Cc1ccccc1 ZINC001380988102 1152890188 /nfs/dbraw/zinc/89/01/88/1152890188.db2.gz JJALRCZUPOFCPY-UHFFFAOYSA-N 1 3 305.466 2.307 20 0 DEADHO COc1ccc2nccc(N3CC[N@H+](C[C@H](C)O)C[C@@H]3C)c2c1 ZINC000893258357 625323168 /nfs/dbraw/zinc/32/31/68/625323168.db2.gz FWLXJOXCHILJBJ-KBPBESRZSA-N 1 3 315.417 2.135 20 0 DEADHO COc1ccc2nccc(N3CC[N@@H+](C[C@H](C)O)C[C@@H]3C)c2c1 ZINC000893258357 625323171 /nfs/dbraw/zinc/32/31/71/625323171.db2.gz FWLXJOXCHILJBJ-KBPBESRZSA-N 1 3 315.417 2.135 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H]([N@H+](C)CC3CCC3)C2)CC1 ZINC000972611396 625355823 /nfs/dbraw/zinc/35/58/23/625355823.db2.gz BKHYZAPHQMVSBM-KRWDZBQOSA-N 1 3 307.482 2.051 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CC3CCC3)C2)CC1 ZINC000972611396 625355826 /nfs/dbraw/zinc/35/58/26/625355826.db2.gz BKHYZAPHQMVSBM-KRWDZBQOSA-N 1 3 307.482 2.051 20 0 DEADHO CC1(C)C[C@H]([NH3+])C[C@@H](N[C@@H]2CCN(C(=O)C3CCCC3)C2)C1 ZINC000925559793 625366784 /nfs/dbraw/zinc/36/67/84/625366784.db2.gz KADMWGCOMMEXLQ-BZUAXINKSA-N 1 3 307.482 2.273 20 0 DEADHO COc1ccc(C[C@H](C)N[C@H]2C[C@@H]([NH3+])C23CCC3)cc1OC ZINC000925575224 625398808 /nfs/dbraw/zinc/39/88/08/625398808.db2.gz REHUESUMIVSOJJ-VUCTXSBTSA-N 1 3 304.434 2.494 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2)C1)N(C)C ZINC001024039027 625555897 /nfs/dbraw/zinc/55/58/97/625555897.db2.gz MVQQCCJCKIJNTH-ZWKOTPCHSA-N 1 3 317.477 2.355 20 0 DEADHO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(CC2=CCCCC2)C1 ZINC000969703012 622890699 /nfs/dbraw/zinc/89/06/99/622890699.db2.gz CPICBJGYOFCOLR-IIDMSEBBSA-N 1 3 319.493 2.264 20 0 DEADHO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(CC2=CCCCC2)C1 ZINC000969703012 622890702 /nfs/dbraw/zinc/89/07/02/622890702.db2.gz CPICBJGYOFCOLR-IIDMSEBBSA-N 1 3 319.493 2.264 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001020585961 622925167 /nfs/dbraw/zinc/92/51/67/622925167.db2.gz AIVXPWPFLZZIGD-SZMVWBNQSA-N 1 3 315.461 2.216 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC001020585960 622925432 /nfs/dbraw/zinc/92/54/32/622925432.db2.gz AIVXPWPFLZZIGD-KBAYOESNSA-N 1 3 315.461 2.216 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001020588712 622926714 /nfs/dbraw/zinc/92/67/14/622926714.db2.gz KAJLPIMXABAFTK-KBAYOESNSA-N 1 3 319.493 2.456 20 0 DEADHO CC(C)=CCN1CC([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000969943027 623010829 /nfs/dbraw/zinc/01/08/29/623010829.db2.gz AJVAQCUDAWSVRF-MRXNPFEDSA-N 1 3 319.493 2.265 20 0 DEADHO CC(C)=CCN1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000970327905 623404129 /nfs/dbraw/zinc/40/41/29/623404129.db2.gz HIUWUCCGXCIKOD-JYJNAYRXSA-N 1 3 307.482 2.119 20 0 DEADHO CC(C)=CCN1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000970327905 623404133 /nfs/dbraw/zinc/40/41/33/623404133.db2.gz HIUWUCCGXCIKOD-JYJNAYRXSA-N 1 3 307.482 2.119 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCC2CC2)C1 ZINC000970528168 623520931 /nfs/dbraw/zinc/52/09/31/623520931.db2.gz CHPMDGJFTVVSDT-CRAIPNDOSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCC2)C1 ZINC000970529569 623523740 /nfs/dbraw/zinc/52/37/40/623523740.db2.gz PWZOJRIUDUKDIP-YJBOKZPZSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021606165 623823808 /nfs/dbraw/zinc/82/38/08/623823808.db2.gz PCYNVUFWYOROOC-FUHWJXTLSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021606165 623823810 /nfs/dbraw/zinc/82/38/10/623823810.db2.gz PCYNVUFWYOROOC-FUHWJXTLSA-N 1 3 321.509 2.440 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021607705 623824694 /nfs/dbraw/zinc/82/46/94/623824694.db2.gz XQTFVXIJRIIRSD-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021607705 623824700 /nfs/dbraw/zinc/82/47/00/623824700.db2.gz XQTFVXIJRIIRSD-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021680656 623950931 /nfs/dbraw/zinc/95/09/31/623950931.db2.gz YYVVJBAMYDRYCT-RDJZCZTQSA-N 1 3 316.449 2.231 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021680656 623950934 /nfs/dbraw/zinc/95/09/34/623950934.db2.gz YYVVJBAMYDRYCT-RDJZCZTQSA-N 1 3 316.449 2.231 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CC2CCCCC2)C1 ZINC000971200817 624068439 /nfs/dbraw/zinc/06/84/39/624068439.db2.gz JHOLLQBCSVIQDP-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC2CCCCC2)C1 ZINC000971200817 624068440 /nfs/dbraw/zinc/06/84/40/624068440.db2.gz JHOLLQBCSVIQDP-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H](NC(=O)N1CCCC[C@@H]1C[NH3+])[C@H](c1ccccc1)N(C)C ZINC000891895015 624649639 /nfs/dbraw/zinc/64/96/39/624649639.db2.gz ZTNSKYZRGFZCCM-DJIMGWMZSA-N 1 3 318.465 2.201 20 0 DEADHO OCc1cnccc1NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000892003664 624737644 /nfs/dbraw/zinc/73/76/44/624737644.db2.gz CLZDLTMSNCHEDC-UHFFFAOYSA-N 1 3 311.429 2.320 20 0 DEADHO C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)CN2CCC[C@@H]2C)C1)c1ccccc1 ZINC001022711607 624863811 /nfs/dbraw/zinc/86/38/11/624863811.db2.gz BZNGZRULYHEAEQ-CIRFHOKZSA-N 1 3 315.461 2.469 20 0 DEADHO C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1)c1ccccc1 ZINC001022713276 624865653 /nfs/dbraw/zinc/86/56/53/624865653.db2.gz JTBGAJMCPMZOEY-AHCXZYCDSA-N 1 3 315.461 2.326 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CC2CCCC2)C1)N(C)C ZINC000972264389 624910101 /nfs/dbraw/zinc/91/01/01/624910101.db2.gz GNZULBQEBVWFRC-DLBZAZTESA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC2CCCC2)C1)N(C)C ZINC000972264389 624910103 /nfs/dbraw/zinc/91/01/03/624910103.db2.gz GNZULBQEBVWFRC-DLBZAZTESA-N 1 3 309.498 2.296 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CCC3CCCC3)C2)C1 ZINC000972336246 624933014 /nfs/dbraw/zinc/93/30/14/624933014.db2.gz VDHCKRDACFENLD-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CCC3CCCC3)C2)C1 ZINC000972336246 624933015 /nfs/dbraw/zinc/93/30/15/624933015.db2.gz VDHCKRDACFENLD-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO CC1CCN([C@H](CN[C@H]2C[NH2+]CCOC2)c2cccs2)CC1 ZINC000925503582 625107273 /nfs/dbraw/zinc/10/72/73/625107273.db2.gz OJUKDNNTTAJOOK-JKSUJKDBSA-N 1 3 323.506 2.099 20 0 DEADHO CC[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(C)C ZINC001026086857 625131767 /nfs/dbraw/zinc/13/17/67/625131767.db2.gz UMMBPMRMXFSMSD-ZBRFXRBCSA-N 1 3 321.509 2.342 20 0 DEADHO CC[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(C)C ZINC001026086857 625131768 /nfs/dbraw/zinc/13/17/68/625131768.db2.gz UMMBPMRMXFSMSD-ZBRFXRBCSA-N 1 3 321.509 2.342 20 0 DEADHO CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC001026265883 625239144 /nfs/dbraw/zinc/23/91/44/625239144.db2.gz BCUAVCVUCUGTEE-ARFHVFGLSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CCCF)C1 ZINC001023366172 625241044 /nfs/dbraw/zinc/24/10/44/625241044.db2.gz OUFZAQULVQYGPA-HZPDHXFCSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CCCF)C1 ZINC001023366172 625241046 /nfs/dbraw/zinc/24/10/46/625241046.db2.gz OUFZAQULVQYGPA-HZPDHXFCSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)=CCN1CCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001024438747 625776489 /nfs/dbraw/zinc/77/64/89/625776489.db2.gz VYLYACNYBBDBGP-ROUUACIJSA-N 1 3 319.493 2.265 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCCF ZINC001024468148 625794806 /nfs/dbraw/zinc/79/48/06/625794806.db2.gz IPMHSAGYGLCOHF-JKSUJKDBSA-N 1 3 313.461 2.191 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCCF ZINC001024468148 625794811 /nfs/dbraw/zinc/79/48/11/625794811.db2.gz IPMHSAGYGLCOHF-JKSUJKDBSA-N 1 3 313.461 2.191 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(C)Cc2ccccc2C1 ZINC000093887493 634549983 /nfs/dbraw/zinc/54/99/83/634549983.db2.gz VZBIPHVNLKBBTN-KRWDZBQOSA-N 1 3 314.477 2.180 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)CCC1 ZINC000999349315 634570097 /nfs/dbraw/zinc/57/00/97/634570097.db2.gz SKKRGJXYGZBLEN-QGZVFWFLSA-N 1 3 315.461 2.252 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC2CCCC2)C1)N(C)C ZINC000999425407 634589773 /nfs/dbraw/zinc/58/97/73/634589773.db2.gz TWWCWWIHNSYYPC-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]([NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1)c1ccccc1 ZINC000999832313 634691060 /nfs/dbraw/zinc/69/10/60/634691060.db2.gz DKQORXBGAKZRLS-FAEJEUNOSA-N 1 3 315.461 2.422 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCC2CCCC2)C1)N(C)C ZINC001000228833 634804307 /nfs/dbraw/zinc/80/43/07/634804307.db2.gz VIPWJIWBOKPXKQ-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC000995806302 633119965 /nfs/dbraw/zinc/11/99/65/633119965.db2.gz WCTKUTZBDGVIJE-JKSUJKDBSA-N 1 3 307.482 2.096 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H](NCCF)C(C)(C)C1 ZINC000996377635 633250608 /nfs/dbraw/zinc/25/06/08/633250608.db2.gz BNNSEWOHLMIHSD-GJZGRUSLSA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@H](NCCF)C(C)(C)C1 ZINC000996377635 633250612 /nfs/dbraw/zinc/25/06/12/633250612.db2.gz BNNSEWOHLMIHSD-GJZGRUSLSA-N 1 3 313.461 2.045 20 0 DEADHO CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974865902 633340170 /nfs/dbraw/zinc/34/01/70/633340170.db2.gz XSDODAZDNUDODS-CVEARBPZSA-N 1 3 307.482 2.097 20 0 DEADHO CCC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974865902 633340176 /nfs/dbraw/zinc/34/01/76/633340176.db2.gz XSDODAZDNUDODS-CVEARBPZSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccsc2)C1)N(C)C ZINC001027044968 633370301 /nfs/dbraw/zinc/37/03/01/633370301.db2.gz JCRGRMGFMFZQFE-GOEBONIOSA-N 1 3 323.506 2.272 20 0 DEADHO CCN1C[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975039969 633394343 /nfs/dbraw/zinc/39/43/43/633394343.db2.gz OLKQIGSGKPXVNE-CXAGYDPISA-N 1 3 313.461 2.045 20 0 DEADHO CCN1C[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975039969 633394348 /nfs/dbraw/zinc/39/43/48/633394348.db2.gz OLKQIGSGKPXVNE-CXAGYDPISA-N 1 3 313.461 2.045 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@H](C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC001027091244 633431065 /nfs/dbraw/zinc/43/10/65/633431065.db2.gz IAJHZGGZWUVRHT-RDTXWAMCSA-N 1 3 324.428 2.078 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001027235586 633506398 /nfs/dbraw/zinc/50/63/98/633506398.db2.gz SMPDXVOXIMHXEN-ZWKOTPCHSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCC)CC1 ZINC000997122209 633606249 /nfs/dbraw/zinc/60/62/49/633606249.db2.gz VVPHUPXXKIZNRJ-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CN(C(=O)NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCCN(C)C1 ZINC000893436547 633637788 /nfs/dbraw/zinc/63/77/88/633637788.db2.gz KFKQCJRCNASUSQ-QGZVFWFLSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2CC2)C1 ZINC001027409804 633747863 /nfs/dbraw/zinc/74/78/63/633747863.db2.gz NYINXGDZLRAUIB-DLBZAZTESA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2CC2)C1 ZINC001027409804 633747868 /nfs/dbraw/zinc/74/78/68/633747868.db2.gz NYINXGDZLRAUIB-DLBZAZTESA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)=CCN1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977456901 633994516 /nfs/dbraw/zinc/99/45/16/633994516.db2.gz XFFIOXULSJRYNU-CVEARBPZSA-N 1 3 307.482 2.121 20 0 DEADHO CC(C)=CCN1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977456901 633994519 /nfs/dbraw/zinc/99/45/19/633994519.db2.gz XFFIOXULSJRYNU-CVEARBPZSA-N 1 3 307.482 2.121 20 0 DEADHO CCN(C(=O)[C@H]1CCCN1C)[C@@H]1CCC[N@H+](CCCF)CC1 ZINC000997947215 634071512 /nfs/dbraw/zinc/07/15/12/634071512.db2.gz ASEQYXSKELUQLJ-HZPDHXFCSA-N 1 3 313.461 2.143 20 0 DEADHO CCN(C(=O)[C@H]1CCCN1C)[C@@H]1CCC[N@@H+](CCCF)CC1 ZINC000997947215 634071517 /nfs/dbraw/zinc/07/15/17/634071517.db2.gz ASEQYXSKELUQLJ-HZPDHXFCSA-N 1 3 313.461 2.143 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CC2CC2)CC1 ZINC000998290283 634201172 /nfs/dbraw/zinc/20/11/72/634201172.db2.gz RRXMBMSIABRHOG-QGZVFWFLSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC000978147976 634225945 /nfs/dbraw/zinc/22/59/45/634225945.db2.gz ONSFLZAGLRRBBN-ZJPYXAASSA-N 1 3 321.509 2.199 20 0 DEADHO CC(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC000978147976 634225949 /nfs/dbraw/zinc/22/59/49/634225949.db2.gz ONSFLZAGLRRBBN-ZJPYXAASSA-N 1 3 321.509 2.199 20 0 DEADHO Cc1ccccc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC000998553134 634324391 /nfs/dbraw/zinc/32/43/91/634324391.db2.gz VHCLMTVSRJZIRN-ABHNRTSZSA-N 1 3 315.461 2.168 20 0 DEADHO C[C@@H]1C[C@@H](C[NH2+]CC2CCC2)CN1C(=O)CN(C)C1CCC1 ZINC000980608043 635061609 /nfs/dbraw/zinc/06/16/09/635061609.db2.gz YLWWGHOQIJFEES-ZBFHGGJFSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1C[C@H](C[NH2+]CC2=CCCCC2)CN1C(=O)Cc1c[nH]cn1 ZINC000980709507 635109096 /nfs/dbraw/zinc/10/90/96/635109096.db2.gz YCVIAAQTVOMVEE-GOEBONIOSA-N 1 3 316.449 2.279 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001000312752 635141973 /nfs/dbraw/zinc/14/19/73/635141973.db2.gz PPKGAOQVQIEMOP-INIZCTEOSA-N 1 3 316.449 2.423 20 0 DEADHO Cc1cc(C(F)(F)F)nn1CCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925804123 635428327 /nfs/dbraw/zinc/42/83/27/635428327.db2.gz CFOSPCVVTGASIA-WDEREUQCSA-N 1 3 302.344 2.070 20 0 DEADHO Cc1cc(C(F)(F)F)nn1CC[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000925804123 635428329 /nfs/dbraw/zinc/42/83/29/635428329.db2.gz CFOSPCVVTGASIA-WDEREUQCSA-N 1 3 302.344 2.070 20 0 DEADHO CCCN1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000981332361 635438915 /nfs/dbraw/zinc/43/89/15/635438915.db2.gz VBPDKYKTNXYXGH-QGZVFWFLSA-N 1 3 307.482 2.338 20 0 DEADHO CCCN1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000981332361 635438919 /nfs/dbraw/zinc/43/89/19/635438919.db2.gz VBPDKYKTNXYXGH-QGZVFWFLSA-N 1 3 307.482 2.338 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCC1CC[NH+](CC2CCC2)CC1 ZINC001001469197 635503232 /nfs/dbraw/zinc/50/32/32/635503232.db2.gz UDLDHIIKWVDFCI-SFHVURJKSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCc1ccc(C[NH2+]CC)cc1F ZINC001001519679 635521365 /nfs/dbraw/zinc/52/13/65/635521365.db2.gz MDVFXGVUROIUAG-QGZVFWFLSA-N 1 3 321.440 2.426 20 0 DEADHO C[C@H](NC(=O)N[C@@H]1CCN(C)[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000921879662 635664539 /nfs/dbraw/zinc/66/45/39/635664539.db2.gz RDCMCXWALCTPIA-LJIGWXMPSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@H](NC(=O)N[C@@H]1CCN(C)[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000921879662 635664543 /nfs/dbraw/zinc/66/45/43/635664543.db2.gz RDCMCXWALCTPIA-LJIGWXMPSA-N 1 3 322.497 2.031 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCCN2CCSC[C@H]12 ZINC000925825294 635713823 /nfs/dbraw/zinc/71/38/23/635713823.db2.gz HRUZLOSOWMQCOK-IAOVAPTHSA-N 1 3 320.506 2.079 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC[C@@H](N(C)C)C(F)(F)F ZINC000925838624 635895890 /nfs/dbraw/zinc/89/58/90/635895890.db2.gz ZTCZVFUWPSDBGF-QMTHXVAHSA-N 1 3 318.387 2.382 20 0 DEADHO CC(C)[N@@H+]1C[C@@]2(C)CN(C(=O)C3(N(C)C)CCC3)C[C@@]2(C)C1 ZINC000982296566 635955127 /nfs/dbraw/zinc/95/51/27/635955127.db2.gz VBSHLHKGTZRXSK-CALCHBBNSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[N@H+]1C[C@@]2(C)CN(C(=O)C3(N(C)C)CCC3)C[C@@]2(C)C1 ZINC000982296566 635955129 /nfs/dbraw/zinc/95/51/29/635955129.db2.gz VBSHLHKGTZRXSK-CALCHBBNSA-N 1 3 307.482 2.050 20 0 DEADHO COC(=O)[C@H]1[C@H](CN2CCC(C[N@H+](C)C(C)C)CC2)C1(F)F ZINC000893966759 636077594 /nfs/dbraw/zinc/07/75/94/636077594.db2.gz DWJAIWFQTFIFQD-UONOGXRCSA-N 1 3 318.408 2.093 20 0 DEADHO COC(=O)[C@H]1[C@H](CN2CCC(C[N@@H+](C)C(C)C)CC2)C1(F)F ZINC000893966759 636077597 /nfs/dbraw/zinc/07/75/97/636077597.db2.gz DWJAIWFQTFIFQD-UONOGXRCSA-N 1 3 318.408 2.093 20 0 DEADHO Cc1[nH]nc(CN2CCC(OCC[NH+]3CCCC3)CC2)c1C ZINC000894063500 636101886 /nfs/dbraw/zinc/10/18/86/636101886.db2.gz CEMFWANNMBCMRT-UHFFFAOYSA-N 1 3 306.454 2.103 20 0 DEADHO Cc1ccc(CN2CCC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001028313893 636125279 /nfs/dbraw/zinc/12/52/79/636125279.db2.gz CUHJVJFPFDTWFD-MSOLQXFVSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccc(CN2CCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001028313893 636125281 /nfs/dbraw/zinc/12/52/81/636125281.db2.gz CUHJVJFPFDTWFD-MSOLQXFVSA-N 1 3 315.461 2.027 20 0 DEADHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1ccc(Cl)nc1)C2 ZINC000922389492 636144389 /nfs/dbraw/zinc/14/43/89/636144389.db2.gz WROUEZQCXIYVPZ-SRABZTEZSA-N 1 3 323.868 2.304 20 0 DEADHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1ccc(Cl)nc1)C2 ZINC000922389492 636144497 /nfs/dbraw/zinc/14/44/97/636144497.db2.gz WROUEZQCXIYVPZ-SRABZTEZSA-N 1 3 323.868 2.304 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1ccc(Cl)nc1)C2 ZINC000922389493 636150469 /nfs/dbraw/zinc/15/04/69/636150469.db2.gz WROUEZQCXIYVPZ-TXCZRRACSA-N 1 3 323.868 2.304 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1ccc(Cl)nc1)C2 ZINC000922389493 636150473 /nfs/dbraw/zinc/15/04/73/636150473.db2.gz WROUEZQCXIYVPZ-TXCZRRACSA-N 1 3 323.868 2.304 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cncn1C(C)C)C2 ZINC000922391403 636153466 /nfs/dbraw/zinc/15/34/66/636153466.db2.gz WBBPAWVAQCRPCN-BDXSIMOUSA-N 1 3 320.481 2.033 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cncn1C(C)C)C2 ZINC000922391403 636153467 /nfs/dbraw/zinc/15/34/67/636153467.db2.gz WBBPAWVAQCRPCN-BDXSIMOUSA-N 1 3 320.481 2.033 20 0 DEADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3ccc(F)nc3)C2)[C@@H]1C(C)C ZINC000922393461 636155699 /nfs/dbraw/zinc/15/56/99/636155699.db2.gz KSFGXZQQMLHWBV-LMSBXDPUSA-N 1 3 321.440 2.180 20 0 DEADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3ccc(F)nc3)C2)[C@@H]1C(C)C ZINC000922393461 636155703 /nfs/dbraw/zinc/15/57/03/636155703.db2.gz KSFGXZQQMLHWBV-LMSBXDPUSA-N 1 3 321.440 2.180 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NC1CC[NH+](CCC2CC2)CC1 ZINC001004204721 636223688 /nfs/dbraw/zinc/22/36/88/636223688.db2.gz VJWCHIUHNWEDKK-GJZGRUSLSA-N 1 3 307.482 2.240 20 0 DEADHO CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)N3CCCCCC3)C[C@@]2(C)C1 ZINC000982617423 636306696 /nfs/dbraw/zinc/30/66/96/636306696.db2.gz NDBZKHLLHXOZPE-QRQLOZEOSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)N3CCCCCC3)C[C@@]2(C)C1 ZINC000982617423 636306699 /nfs/dbraw/zinc/30/66/99/636306699.db2.gz NDBZKHLLHXOZPE-QRQLOZEOSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+]Cc2cccc3c2NCCC3)CC1 ZINC000894175428 636391142 /nfs/dbraw/zinc/39/11/42/636391142.db2.gz HEUFGSUTAROIIO-MRXNPFEDSA-N 1 3 316.493 2.160 20 0 DEADHO C[N@@H+]1CC[C@H](NC[C@@H]2CCN2C(=O)OC(C)(C)C)CC1(C)C ZINC000922790265 636401517 /nfs/dbraw/zinc/40/15/17/636401517.db2.gz ADSIHJDIKKHHCE-KBPBESRZSA-N 1 3 311.470 2.458 20 0 DEADHO C[N@H+]1CC[C@H](NC[C@@H]2CCN2C(=O)OC(C)(C)C)CC1(C)C ZINC000922790265 636401520 /nfs/dbraw/zinc/40/15/20/636401520.db2.gz ADSIHJDIKKHHCE-KBPBESRZSA-N 1 3 311.470 2.458 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623782 636476264 /nfs/dbraw/zinc/47/62/64/636476264.db2.gz QUQDVYWCOJQCCQ-FGTMMUONSA-N 1 3 321.509 2.153 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623782 636476268 /nfs/dbraw/zinc/47/62/68/636476268.db2.gz QUQDVYWCOJQCCQ-FGTMMUONSA-N 1 3 321.509 2.153 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC001028919195 636851145 /nfs/dbraw/zinc/85/11/45/636851145.db2.gz SCXMJFGTEWILMO-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC001028919195 636851146 /nfs/dbraw/zinc/85/11/46/636851146.db2.gz SCXMJFGTEWILMO-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@](C[NH3+])(NC[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000923295660 637096498 /nfs/dbraw/zinc/09/64/98/637096498.db2.gz DFBLZKSMASJWEE-GJZGRUSLSA-N 1 3 316.367 2.326 20 0 DEADHO C[N@H+](CCc1ccccc1)[C@@H]1CCN(c2ccncc2CO)C1 ZINC000894550171 637103808 /nfs/dbraw/zinc/10/38/08/637103808.db2.gz VZJBJQIIBVOWEV-GOSISDBHSA-N 1 3 311.429 2.327 20 0 DEADHO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(c2ccncc2CO)C1 ZINC000894550171 637103813 /nfs/dbraw/zinc/10/38/13/637103813.db2.gz VZJBJQIIBVOWEV-GOSISDBHSA-N 1 3 311.429 2.327 20 0 DEADHO CN(CCC[NH2+]C1CC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000923313074 637104692 /nfs/dbraw/zinc/10/46/92/637104692.db2.gz SQDTYHOYCVTQKU-UHFFFAOYSA-N 1 3 315.461 2.365 20 0 DEADHO C[N@H+](CCCNC1CC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000923313074 637104695 /nfs/dbraw/zinc/10/46/95/637104695.db2.gz SQDTYHOYCVTQKU-UHFFFAOYSA-N 1 3 315.461 2.365 20 0 DEADHO C[N@@H+](CCCNC1CC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000923313074 637104698 /nfs/dbraw/zinc/10/46/98/637104698.db2.gz SQDTYHOYCVTQKU-UHFFFAOYSA-N 1 3 315.461 2.365 20 0 DEADHO c1ccc(CN(C[C@H]2CCCO2)C[C@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923310823 637110314 /nfs/dbraw/zinc/11/03/14/637110314.db2.gz YWHUZVCDCRWOMQ-QZTJIDSGSA-N 1 3 316.445 2.046 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]2CN(C[C@H](O)COc3ccccc3Cl)C[C@@H]21 ZINC000923331259 637117097 /nfs/dbraw/zinc/11/70/97/637117097.db2.gz FGHVNFHVYXAZDC-ORIJERBGSA-N 1 3 324.852 2.139 20 0 DEADHO CCOC[C@@H](O)CN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000923341484 637128618 /nfs/dbraw/zinc/12/86/18/637128618.db2.gz KUZVCOZQKZJLGN-HOTGVXAUSA-N 1 3 324.490 2.090 20 0 DEADHO Cc1ccc(OC[C@@H](O)CN2CCCC[C@H]2CC[NH3+])c(C)c1 ZINC000923353941 637134857 /nfs/dbraw/zinc/13/48/57/637134857.db2.gz OMYDXPJVSFXAOW-IRXDYDNUSA-N 1 3 306.450 2.246 20 0 DEADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000923372615 637140191 /nfs/dbraw/zinc/14/01/91/637140191.db2.gz IDIXANZMLATUGQ-UNQGMJICSA-N 1 3 314.351 2.345 20 0 DEADHO C[C@H](NC(=O)CN1CC[C@H](C[NH3+])[C@@H](C)C1)c1ccccc1Cl ZINC000923502587 637212851 /nfs/dbraw/zinc/21/28/51/637212851.db2.gz CGCMIULJRCNYTE-MELADBBJSA-N 1 3 323.868 2.434 20 0 DEADHO C[C@@H](C(=O)NCc1ccccc1Cl)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923501014 637217089 /nfs/dbraw/zinc/21/70/89/637217089.db2.gz QTEQIHSJEACVSJ-HZSPNIEDSA-N 1 3 323.868 2.261 20 0 DEADHO CC[C@H](C)NC(=O)[C@H](C)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923504309 637219810 /nfs/dbraw/zinc/21/98/10/637219810.db2.gz XAHUIBLLEQUYKF-JYJNAYRXSA-N 1 3 309.498 2.391 20 0 DEADHO O=C1[C@H](N2CCC([C@@H]3CCC[NH2+]CC3)CC2)CCN1C1CCC1 ZINC000923506217 637220680 /nfs/dbraw/zinc/22/06/80/637220680.db2.gz IZUZSHUOGNGGPP-CRAIPNDOSA-N 1 3 319.493 2.242 20 0 DEADHO [NH3+]CCCCCCN1C[C@H](C[C@@H]2COCCN2)c2ccccc21 ZINC000923538717 637237446 /nfs/dbraw/zinc/23/74/46/637237446.db2.gz AUAOCYWFKMTGGU-DLBZAZTESA-N 1 3 317.477 2.488 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)N(C)C)cc1 ZINC000237195253 637529754 /nfs/dbraw/zinc/52/97/54/637529754.db2.gz JKDRXNKYGOMZAT-BRWVUGGUSA-N 1 3 303.450 2.231 20 0 DEADHO O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001029356483 637648521 /nfs/dbraw/zinc/64/85/21/637648521.db2.gz ODSLSFRIQFNJOL-BDXSIMOUSA-N 1 3 317.477 2.089 20 0 DEADHO O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001029356483 637648526 /nfs/dbraw/zinc/64/85/26/637648526.db2.gz ODSLSFRIQFNJOL-BDXSIMOUSA-N 1 3 317.477 2.089 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001029375179 637679962 /nfs/dbraw/zinc/67/99/62/637679962.db2.gz GNEGWRYEUPTWQU-KSZLIROESA-N 1 3 319.493 2.192 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001029375179 637679966 /nfs/dbraw/zinc/67/99/66/637679966.db2.gz GNEGWRYEUPTWQU-KSZLIROESA-N 1 3 319.493 2.192 20 0 DEADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[NH+]1CCCCC1 ZINC000741277322 637960499 /nfs/dbraw/zinc/96/04/99/637960499.db2.gz GBHOQXUYZZFJEQ-HNNXBMFYSA-N 1 3 303.450 2.352 20 0 DEADHO COc1ccc([C@@H](NC(C)C)C(=O)N[C@H](C)CC[NH+](C)C)cc1 ZINC000896708413 638649844 /nfs/dbraw/zinc/64/98/44/638649844.db2.gz RMZSDBOXMZWCCS-RHSMWYFYSA-N 1 3 321.465 2.191 20 0 DEADHO CCC[NH+](CCC)CCCNC(=S)NC1CCN(C)CC1 ZINC000727978542 638726765 /nfs/dbraw/zinc/72/67/65/638726765.db2.gz XLHFZLUYDBUODF-UHFFFAOYSA-N 1 3 314.543 2.057 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CCCCC2)C1 ZINC001029673893 639412090 /nfs/dbraw/zinc/41/20/90/639412090.db2.gz ANFSUJJWTOXOMB-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCCC2)C1 ZINC001029673893 639412094 /nfs/dbraw/zinc/41/20/94/639412094.db2.gz ANFSUJJWTOXOMB-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[N@H+](C)CC3CCCC3)C2)C1 ZINC001029840406 639535057 /nfs/dbraw/zinc/53/50/57/639535057.db2.gz YAHNQDICYKFOKE-WMZOPIPTSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[N@@H+](C)CC3CCCC3)C2)C1 ZINC001029840406 639535058 /nfs/dbraw/zinc/53/50/58/639535058.db2.gz YAHNQDICYKFOKE-WMZOPIPTSA-N 1 3 321.509 2.299 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H](C[N@H+](C)CC3CCC3)C2)CC1 ZINC001029875152 639695192 /nfs/dbraw/zinc/69/51/92/639695192.db2.gz DVNFNZUZLOTERA-GOSISDBHSA-N 1 3 321.509 2.299 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H](C[N@@H+](C)CC3CCC3)C2)CC1 ZINC001029875152 639695196 /nfs/dbraw/zinc/69/51/96/639695196.db2.gz DVNFNZUZLOTERA-GOSISDBHSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@@H]1[C@H]([NH2+]CC2CCCCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987060635 640070491 /nfs/dbraw/zinc/07/04/91/640070491.db2.gz VVFLZAIIDAMWLA-CZUORRHYSA-N 1 3 304.438 2.112 20 0 DEADHO C[C@@H]1[C@@H]([NH2+]CC2=CCCCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987070657 640072182 /nfs/dbraw/zinc/07/21/82/640072182.db2.gz SIPDASXJQFGODD-CJNGLKHVSA-N 1 3 302.422 2.032 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N[C@H](C[NH3+])C2CCCC2)cc(Cl)n1 ZINC000841858010 650582288 /nfs/dbraw/zinc/58/22/88/650582288.db2.gz XYDCTKCAVXIFPP-ZIAGYGMSSA-N 1 3 324.856 2.067 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC2CCCC2)CN1C(=O)CN(C)C1CCC1 ZINC000988955022 640695342 /nfs/dbraw/zinc/69/53/42/640695342.db2.gz JDBYVNBLVFJYQZ-ZBFHGGJFSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NCC[N@@H+]1CC[C@H](C)C1 ZINC000766383165 640875755 /nfs/dbraw/zinc/87/57/55/640875755.db2.gz QPNSSYBRXLIASC-STQMWFEESA-N 1 3 324.856 2.384 20 0 DEADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NCC[N@H+]1CC[C@H](C)C1 ZINC000766383165 640875758 /nfs/dbraw/zinc/87/57/58/640875758.db2.gz QPNSSYBRXLIASC-STQMWFEESA-N 1 3 324.856 2.384 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CCC2CC2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989450548 641004046 /nfs/dbraw/zinc/00/40/46/641004046.db2.gz NUHJOCGHCDZZEJ-HOCLYGCPSA-N 1 3 307.482 2.097 20 0 DEADHO CN(CC1CN(C(=O)OC(C)(C)C)C1)CC(C)(C)C[NH+](C)C ZINC000898308040 641097095 /nfs/dbraw/zinc/09/70/95/641097095.db2.gz MOYMONONFOONAC-UHFFFAOYSA-N 1 3 313.486 2.373 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CCC2CCCC2)CN1C(=O)CN1CCCC1 ZINC000989795778 641234463 /nfs/dbraw/zinc/23/44/63/641234463.db2.gz BMKIZKKRYFDKIK-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO C[NH+](C)C1CCN(CCN[C@H]2CCc3ccc(Cl)nc32)CC1 ZINC000771180265 641476480 /nfs/dbraw/zinc/47/64/80/641476480.db2.gz WDHBGFQXDMNBHL-HNNXBMFYSA-N 1 3 322.884 2.338 20 0 DEADHO c1cnn(-c2ncccc2CN[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000924640463 641529401 /nfs/dbraw/zinc/52/94/01/641529401.db2.gz LWRASJPFXKCUEG-IRXDYDNUSA-N 1 3 311.433 2.374 20 0 DEADHO c1cnn(-c2ncccc2CN[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000924640463 641529403 /nfs/dbraw/zinc/52/94/03/641529403.db2.gz LWRASJPFXKCUEG-IRXDYDNUSA-N 1 3 311.433 2.374 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H](C)c2cccc3c2OCO3)CC1 ZINC000924661574 641552346 /nfs/dbraw/zinc/55/23/46/641552346.db2.gz NQXUXTNBXSWJKN-OAHLLOKOSA-N 1 3 319.449 2.094 20 0 DEADHO CN(C)Cc1ccc(-c2noc(CCSCCC[NH3+])n2)cc1 ZINC000900004277 642232651 /nfs/dbraw/zinc/23/26/51/642232651.db2.gz IFQTUUWSCVEQPX-UHFFFAOYSA-N 1 3 320.462 2.423 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000900560308 642414231 /nfs/dbraw/zinc/41/42/31/642414231.db2.gz HLUBOLKZABMDFR-HNNXBMFYSA-N 1 3 304.438 2.067 20 0 DEADHO C[NH+](C)C1CCN(C(=O)c2ccc(NC3=NCCC3)cc2)CC1 ZINC000900636540 642430712 /nfs/dbraw/zinc/43/07/12/642430712.db2.gz UEZHQQXMTXGAOA-UHFFFAOYSA-N 1 3 314.433 2.457 20 0 DEADHO CC(=O)Nc1cccc(OCCN[C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902362345 643019394 /nfs/dbraw/zinc/01/93/94/643019394.db2.gz SWUAQAVKKOWQKF-INIZCTEOSA-N 1 3 319.449 2.392 20 0 DEADHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000903196191 643282518 /nfs/dbraw/zinc/28/25/18/643282518.db2.gz JMZKLGKHBJTBRN-NHZBIIOPSA-N 1 3 321.509 2.232 20 0 DEADHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000903196191 643282521 /nfs/dbraw/zinc/28/25/21/643282521.db2.gz JMZKLGKHBJTBRN-NHZBIIOPSA-N 1 3 321.509 2.232 20 0 DEADHO C[S@](=O)[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C2CC2)C1 ZINC000903198812 643283136 /nfs/dbraw/zinc/28/31/36/643283136.db2.gz GRDVNIWHNOKJSB-HCQUJUEWSA-N 1 3 310.507 2.424 20 0 DEADHO CC[NH+]1CCC(N[C@@H](C)c2ccc(N3CCNC3=O)cc2)CC1 ZINC000786785493 643408635 /nfs/dbraw/zinc/40/86/35/643408635.db2.gz YOQFJEGCEWEHTR-AWEZNQCLSA-N 1 3 316.449 2.351 20 0 DEADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786830644 643415697 /nfs/dbraw/zinc/41/56/97/643415697.db2.gz UWRIBAWDSMUMNE-OFQRWUPVSA-N 1 3 316.449 2.350 20 0 DEADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786830644 643415699 /nfs/dbraw/zinc/41/56/99/643415699.db2.gz UWRIBAWDSMUMNE-OFQRWUPVSA-N 1 3 316.449 2.350 20 0 DEADHO COc1ccccc1C1(NC[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903763511 643452494 /nfs/dbraw/zinc/45/24/94/643452494.db2.gz LFRLHCBCQXBPPV-PBHICJAKSA-N 1 3 302.418 2.043 20 0 DEADHO CC(C)CN(C(=O)CN1CCC(C(C)(C)C[NH3+])CC1)C1CC1 ZINC000903790429 643456617 /nfs/dbraw/zinc/45/66/17/643456617.db2.gz IMXDMZFJDCEFKA-UHFFFAOYSA-N 1 3 309.498 2.330 20 0 DEADHO CC(C)CNC(=O)[C@H](C)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793997 643457216 /nfs/dbraw/zinc/45/72/16/643457216.db2.gz MLZZMMGYYOBENA-INIZCTEOSA-N 1 3 317.477 2.140 20 0 DEADHO [NH3+]CC1([C@@H]2CCCCN2C[C@@H](O)COc2ccccc2)CCC1 ZINC000903810757 643470985 /nfs/dbraw/zinc/47/09/85/643470985.db2.gz GUXDMCITDULAGN-AEFFLSMTSA-N 1 3 318.461 2.410 20 0 DEADHO C[N@H+](C[C@@H]1[C@@H](c2ccccc2)C1(F)F)C1(CN)CCOCC1 ZINC000903809852 643471225 /nfs/dbraw/zinc/47/12/25/643471225.db2.gz NUIPRVAWROTISM-HUUCEWRRSA-N 1 3 310.388 2.475 20 0 DEADHO C[N@@H+](C[C@@H]1[C@@H](c2ccccc2)C1(F)F)C1(CN)CCOCC1 ZINC000903809852 643471227 /nfs/dbraw/zinc/47/12/27/643471227.db2.gz NUIPRVAWROTISM-HUUCEWRRSA-N 1 3 310.388 2.475 20 0 DEADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN1CC[C@@H](c2ccccc2)C1 ZINC000903884042 643496654 /nfs/dbraw/zinc/49/66/54/643496654.db2.gz PVDBZJXMVKTKDK-SJORKVTESA-N 1 3 311.433 2.192 20 0 DEADHO Cc1c(C[C@H](CN)C[NH2+]CCCc2cccc(F)c2)cnn1C ZINC000903920310 643507997 /nfs/dbraw/zinc/50/79/97/643507997.db2.gz IEFBHRPTHULULC-MRXNPFEDSA-N 1 3 318.440 2.207 20 0 DEADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN[C@@H]1C[C@H]1C1CCCCC1 ZINC000903927373 643511019 /nfs/dbraw/zinc/51/10/19/643511019.db2.gz RGDFBOLJDUEGJG-HYVNUMGLSA-N 1 3 303.454 2.261 20 0 DEADHO COc1cc(C)c(C[NH2+]C[C@H]2CNCCC2(F)F)cc1OC ZINC000903954231 643529386 /nfs/dbraw/zinc/52/93/86/643529386.db2.gz AWYJJAOSULRLSS-CYBMUJFWSA-N 1 3 314.376 2.347 20 0 DEADHO FC1(F)CCNC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000903955955 643529985 /nfs/dbraw/zinc/52/99/85/643529985.db2.gz CYBRKUHFFUIINX-LBPRGKRZSA-N 1 3 312.389 2.473 20 0 DEADHO COc1ccccc1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980611 643534113 /nfs/dbraw/zinc/53/41/13/643534113.db2.gz VTDOWDGVKFUZJD-HDICACEKSA-N 1 3 315.461 2.096 20 0 DEADHO COc1ccccc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903980611 643534115 /nfs/dbraw/zinc/53/41/15/643534115.db2.gz VTDOWDGVKFUZJD-HDICACEKSA-N 1 3 315.461 2.096 20 0 DEADHO COc1ccccc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903980611 643534117 /nfs/dbraw/zinc/53/41/17/643534117.db2.gz VTDOWDGVKFUZJD-HDICACEKSA-N 1 3 315.461 2.096 20 0 DEADHO Cc1nn(C)c2nc(Cl)c(CN3CC[C@H](CC[NH3+])C3)cc12 ZINC000904405653 643659839 /nfs/dbraw/zinc/65/98/39/643659839.db2.gz METMFIMGOJACQT-NSHDSACASA-N 1 3 307.829 2.101 20 0 DEADHO COc1cc(C[NH2+]CC2(N)CC2)ccc1OCc1ccncc1 ZINC000904449997 643674107 /nfs/dbraw/zinc/67/41/07/643674107.db2.gz OLLPWVCRHOPCOG-UHFFFAOYSA-N 1 3 313.401 2.250 20 0 DEADHO CC(C)[NH+]1CCC(NC[C@@H](O)CCOCc2ccccc2)CC1 ZINC000905029004 643775729 /nfs/dbraw/zinc/77/57/29/643775729.db2.gz VSWPICZJHAPABV-IBGZPJMESA-N 1 3 320.477 2.417 20 0 DEADHO O[C@H](C[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F)CN1CCCC1 ZINC000905588274 643967615 /nfs/dbraw/zinc/96/76/15/643967615.db2.gz UOHGDYZSSJNBKR-BZUAXINKSA-N 1 3 310.388 2.082 20 0 DEADHO CCCCCCN(CCN1CCOCC1)C[C@H]1CCC[NH2+]C1 ZINC000843060133 650880927 /nfs/dbraw/zinc/88/09/27/650880927.db2.gz FHCDZVXVZXLJMO-SFHVURJKSA-N 1 3 311.514 2.201 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC000906807244 644346990 /nfs/dbraw/zinc/34/69/90/644346990.db2.gz VLBPIQSDJZLLIP-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CN(C)C[C@H](NC(=O)C12CC[NH+](CC1)C2)c1ccc(Cl)cc1 ZINC000908069196 644741376 /nfs/dbraw/zinc/74/13/76/644741376.db2.gz RCNLTOUHUDATKF-HNNXBMFYSA-N 1 3 321.852 2.155 20 0 DEADHO C[N@@H+]1CC[C@H](NCc2n[nH]c(-c3ccccc3)n2)[C@@H]2CCC[C@@H]21 ZINC000796895206 644809019 /nfs/dbraw/zinc/80/90/19/644809019.db2.gz ACZLPQOJCCXZCR-JYJNAYRXSA-N 1 3 311.433 2.434 20 0 DEADHO C[N@H+]1CC[C@H](NCc2n[nH]c(-c3ccccc3)n2)[C@@H]2CCC[C@@H]21 ZINC000796895206 644809021 /nfs/dbraw/zinc/80/90/21/644809021.db2.gz ACZLPQOJCCXZCR-JYJNAYRXSA-N 1 3 311.433 2.434 20 0 DEADHO Cc1ccc(N2CC[C@H](N3CCC[C@@H](CC[NH3+])C3)C2=O)cc1 ZINC000843378442 650962055 /nfs/dbraw/zinc/96/20/55/650962055.db2.gz XBIDRGVMXJMTSJ-RDJZCZTQSA-N 1 3 301.434 2.161 20 0 DEADHO C[N@@H+](Cc1ccccc1)CC1CCN(CC[S@@](C)=O)CC1 ZINC000798194792 644982247 /nfs/dbraw/zinc/98/22/47/644982247.db2.gz IYKZVXBCGPDNOU-OAQYLSRUSA-N 1 3 308.491 2.209 20 0 DEADHO C[N@H+](Cc1ccccc1)CC1CCN(CC[S@@](C)=O)CC1 ZINC000798194792 644982249 /nfs/dbraw/zinc/98/22/49/644982249.db2.gz IYKZVXBCGPDNOU-OAQYLSRUSA-N 1 3 308.491 2.209 20 0 DEADHO C[C@@H](Cc1cccc(F)c1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000799727153 645213780 /nfs/dbraw/zinc/21/37/80/645213780.db2.gz XEQMLUMLHGHPJU-HNNXBMFYSA-N 1 3 307.457 2.372 20 0 DEADHO CCN1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000910273304 645382455 /nfs/dbraw/zinc/38/24/55/645382455.db2.gz HNFWFTMQQMOOJP-INIZCTEOSA-N 1 3 317.477 2.347 20 0 DEADHO CCN1CCCN(C(=O)CSCC[NH+](CC)CC)[C@@H](C)C1 ZINC000910281717 645386757 /nfs/dbraw/zinc/38/67/57/645386757.db2.gz LVNNJYNBWFUUBK-HNNXBMFYSA-N 1 3 315.527 2.004 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001015052813 646892387 /nfs/dbraw/zinc/89/23/87/646892387.db2.gz NYSJSBRHRKHANU-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001015052813 646892389 /nfs/dbraw/zinc/89/23/89/646892389.db2.gz NYSJSBRHRKHANU-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]21 ZINC000992819105 647278230 /nfs/dbraw/zinc/27/82/30/647278230.db2.gz RFBFITUAGGKKHP-BRWVUGGUSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000817901435 647377092 /nfs/dbraw/zinc/37/70/92/647377092.db2.gz VPZQCZDMGBHVPP-KWBADKCTSA-N 1 3 306.328 2.334 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@H](O)c1ccc2ccccc2c1 ZINC000817905448 647378246 /nfs/dbraw/zinc/37/82/46/647378246.db2.gz NJIBRNMYPSYGNR-VKOGCVSHSA-N 1 3 314.429 2.215 20 0 DEADHO C[C@H](NC1CCC(O)(c2cccnc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000817924494 647383014 /nfs/dbraw/zinc/38/30/14/647383014.db2.gz HGTYFCOVXUGMAC-VNCIIQTRSA-N 1 3 303.450 2.332 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H](O)c1cccc(Br)c1 ZINC000817929966 647385157 /nfs/dbraw/zinc/38/51/57/647385157.db2.gz WWSVFQDPISJFTR-IACUBPJLSA-N 1 3 313.239 2.200 20 0 DEADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(N2CCNC2=O)cc1 ZINC000817970136 647396782 /nfs/dbraw/zinc/39/67/82/647396782.db2.gz MJSOPNDQBSMPGD-AEGPPILISA-N 1 3 302.422 2.137 20 0 DEADHO COC(=O)COc1c(C)cc(C[NH2+][C@@H]2CCCC[C@H]2N)cc1C ZINC000818431987 647464687 /nfs/dbraw/zinc/46/46/87/647464687.db2.gz ZPNRLMKMILKJTB-HZPDHXFCSA-N 1 3 320.433 2.215 20 0 DEADHO C[C@@H](Cc1ccco1)NC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000818954275 647548674 /nfs/dbraw/zinc/54/86/74/647548674.db2.gz UZAPZLOKGXLADO-RDJZCZTQSA-N 1 3 302.418 2.293 20 0 DEADHO C[C@@H](Cc1ccco1)NC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000818954275 647548678 /nfs/dbraw/zinc/54/86/78/647548678.db2.gz UZAPZLOKGXLADO-RDJZCZTQSA-N 1 3 302.418 2.293 20 0 DEADHO O[C@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(F)c1 ZINC000819062425 647575673 /nfs/dbraw/zinc/57/56/73/647575673.db2.gz PRLKVKBUXKETKW-QZTJIDSGSA-N 1 3 322.424 2.092 20 0 DEADHO C[C@@H]1C[C@H](NCCC(=O)Nc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000819105592 647584602 /nfs/dbraw/zinc/58/46/02/647584602.db2.gz MYYZHDSVLMBLDI-GDBMZVCRSA-N 1 3 318.465 2.154 20 0 DEADHO C[C@@H]1C[C@H](NCCC(=O)Nc2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000819105592 647584604 /nfs/dbraw/zinc/58/46/04/647584604.db2.gz MYYZHDSVLMBLDI-GDBMZVCRSA-N 1 3 318.465 2.154 20 0 DEADHO Cc1ccc(N2CCC[C@@H](NC[C@@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC000819113222 647585211 /nfs/dbraw/zinc/58/52/11/647585211.db2.gz MOEDOLOPEDOJTK-VQIMIIECSA-N 1 3 317.477 2.009 20 0 DEADHO Cc1ccc(N2CCC[C@@H](NC[C@@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC000819113222 647585215 /nfs/dbraw/zinc/58/52/15/647585215.db2.gz MOEDOLOPEDOJTK-VQIMIIECSA-N 1 3 317.477 2.009 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](NC(=O)C23CCCN2CCC3)[C@H]1C ZINC000993526858 647690161 /nfs/dbraw/zinc/69/01/61/647690161.db2.gz IBSOUFOZQUYDEI-CVEARBPZSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](NC(=O)C23CCCN2CCC3)[C@H]1C ZINC000993526858 647690163 /nfs/dbraw/zinc/69/01/63/647690163.db2.gz IBSOUFOZQUYDEI-CVEARBPZSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCCN1CCC(F)(F)F ZINC000994415090 647945484 /nfs/dbraw/zinc/94/54/84/647945484.db2.gz ZYFJWPAQEVOINU-CHWSQXEVSA-N 1 3 321.387 2.004 20 0 DEADHO C[C@@H]1[C@H](NC(=O)CN2CCCC2)CCC[N@@H+]1CCC(F)(F)F ZINC000994415090 647945488 /nfs/dbraw/zinc/94/54/88/647945488.db2.gz ZYFJWPAQEVOINU-CHWSQXEVSA-N 1 3 321.387 2.004 20 0 DEADHO C[C@@H]1[C@H](NC(=O)CN2CCCC2)CCC[N@H+]1CCC(F)(F)F ZINC000994415090 647945489 /nfs/dbraw/zinc/94/54/89/647945489.db2.gz ZYFJWPAQEVOINU-CHWSQXEVSA-N 1 3 321.387 2.004 20 0 DEADHO CC(C)N1C[C@@H](N[C@H](C)c2cccc(C[NH+](C)C)c2)CC1=O ZINC000925453761 648084754 /nfs/dbraw/zinc/08/47/54/648084754.db2.gz MVCMUCPQJSFFHG-PBHICJAKSA-N 1 3 303.450 2.408 20 0 DEADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@H](O)c1c(F)cccc1Cl ZINC000925461002 648128306 /nfs/dbraw/zinc/12/83/06/648128306.db2.gz NRMRJBJGZIWKGT-LMHUECFGSA-N 1 3 312.816 2.442 20 0 DEADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@H](O)c1c(F)cccc1Cl ZINC000925461002 648128308 /nfs/dbraw/zinc/12/83/08/648128308.db2.gz NRMRJBJGZIWKGT-LMHUECFGSA-N 1 3 312.816 2.442 20 0 DEADHO COc1nccc(CNC2CCC([NH+]3CCCCC3)CC2)n1 ZINC000823966475 648505954 /nfs/dbraw/zinc/50/59/54/648505954.db2.gz QFHFLVWAYGWSKB-UHFFFAOYSA-N 1 3 304.438 2.372 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C(C)C)CC1(C)C ZINC000940738114 648935528 /nfs/dbraw/zinc/93/55/28/648935528.db2.gz WKKQOZRQXKJBNJ-JKSUJKDBSA-N 1 3 309.498 2.484 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C(C)C)CC1(C)C ZINC000940738114 648935530 /nfs/dbraw/zinc/93/55/30/648935530.db2.gz WKKQOZRQXKJBNJ-JKSUJKDBSA-N 1 3 309.498 2.484 20 0 DEADHO CC(C)(C(=O)N[C@H]1CC[N@H+](CC2CC2)CC1(C)C)N1CCCC1 ZINC000940945055 648975892 /nfs/dbraw/zinc/97/58/92/648975892.db2.gz WXAFGOIUZGWOGP-INIZCTEOSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)(C(=O)N[C@H]1CC[N@@H+](CC2CC2)CC1(C)C)N1CCCC1 ZINC000940945055 648975895 /nfs/dbraw/zinc/97/58/95/648975895.db2.gz WXAFGOIUZGWOGP-INIZCTEOSA-N 1 3 321.509 2.488 20 0 DEADHO CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)C(C)(C)C1 ZINC000941074374 648994544 /nfs/dbraw/zinc/99/45/44/648994544.db2.gz CKSHMTJIQBPWBQ-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)C(C)(C)C1 ZINC000941074374 648994547 /nfs/dbraw/zinc/99/45/47/648994547.db2.gz CKSHMTJIQBPWBQ-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO N[C@H](CC(F)F)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000827864945 649096841 /nfs/dbraw/zinc/09/68/41/649096841.db2.gz ZJAIWJCNSKSMGX-CQSZACIVSA-N 1 3 317.424 2.130 20 0 DEADHO CC(C)C1CCC(N2CCN(C(=O)C[C@@H]([NH3+])C3CC3)CC2)CC1 ZINC000831138554 649542549 /nfs/dbraw/zinc/54/25/49/649542549.db2.gz ZEIJPWVFVMBVKK-VMWRSERWSA-N 1 3 321.509 2.473 20 0 DEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)CCCCC[NH3+])CC1 ZINC000831431356 649591193 /nfs/dbraw/zinc/59/11/93/649591193.db2.gz GMHKURWXSMZQHG-OAHLLOKOSA-N 1 3 318.465 2.242 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000831729086 649634790 /nfs/dbraw/zinc/63/47/90/649634790.db2.gz XVRSQHHUEDONSM-IRXDYDNUSA-N 1 3 309.498 2.347 20 0 DEADHO [NH3+]CCCCCCN1CCCN(C(=O)c2ccsc2)CC1 ZINC000846218505 651315600 /nfs/dbraw/zinc/31/56/00/651315600.db2.gz PGIWBICKPRBVJL-UHFFFAOYSA-N 1 3 309.479 2.415 20 0 DEADHO CC[C@@H]1CN(C)CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000846987021 651366910 /nfs/dbraw/zinc/36/69/10/651366910.db2.gz DTSRRBSEAYTFHY-GOSISDBHSA-N 1 3 317.477 2.347 20 0 DEADHO CN(C)C(=O)C1(C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CCCC1 ZINC000925488325 651501867 /nfs/dbraw/zinc/50/18/67/651501867.db2.gz RTCCCOFDVVHNIF-SJORKVTESA-N 1 3 321.509 2.393 20 0 DEADHO COC(=O)/C=C\c1ccc(CNCC[C@@H]2CCC[N@H+](C)C2)o1 ZINC000848916592 651560236 /nfs/dbraw/zinc/56/02/36/651560236.db2.gz KGBVDAWSEMSTOP-DANTVBBOSA-N 1 3 306.406 2.287 20 0 DEADHO COC(=O)/C=C\c1ccc(CNCC[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000848916592 651560242 /nfs/dbraw/zinc/56/02/42/651560242.db2.gz KGBVDAWSEMSTOP-DANTVBBOSA-N 1 3 306.406 2.287 20 0 DEADHO C[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)N1CCCC1 ZINC000848986637 651572286 /nfs/dbraw/zinc/57/22/86/651572286.db2.gz OHOGQCVDWWOJOD-UKRRQHHQSA-N 1 3 302.422 2.108 20 0 DEADHO CC[C@@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)OC ZINC000849029644 651588717 /nfs/dbraw/zinc/58/87/17/651588717.db2.gz DWCHSFCQTKVTCA-KRWDZBQOSA-N 1 3 318.465 2.190 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCOc1ccc(C)cc1C ZINC000849053513 651596825 /nfs/dbraw/zinc/59/68/25/651596825.db2.gz QEZHQMFBPGSHND-INIZCTEOSA-N 1 3 318.465 2.281 20 0 DEADHO COC(=O)N(C)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000850389761 651918377 /nfs/dbraw/zinc/91/83/77/651918377.db2.gz FTHHNOQPCAXMRP-DOTOQJQBSA-N 1 3 319.449 2.327 20 0 DEADHO COC(=O)N(C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000850389761 651918378 /nfs/dbraw/zinc/91/83/78/651918378.db2.gz FTHHNOQPCAXMRP-DOTOQJQBSA-N 1 3 319.449 2.327 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@H+](CCCF)CC[C@@H]21 ZINC001389954107 1155481980 /nfs/dbraw/zinc/48/19/80/1155481980.db2.gz NMLHHNWPECJGIO-CVEARBPZSA-N 1 3 313.461 2.001 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@@H+](CCCF)CC[C@@H]21 ZINC001389954107 1155481981 /nfs/dbraw/zinc/48/19/81/1155481981.db2.gz NMLHHNWPECJGIO-CVEARBPZSA-N 1 3 313.461 2.001 20 0 DEADHO COc1cccc([C@@H](CNc2ccnc(CO)c2)[NH+](C)C)c1 ZINC000858316268 652303406 /nfs/dbraw/zinc/30/34/06/652303406.db2.gz QBDYOSXCFDMYCW-QGZVFWFLSA-N 1 3 301.390 2.297 20 0 DEADHO C[NH+](C)CCOc1ccccc1CNc1ccnc(CO)c1 ZINC000858373266 652320592 /nfs/dbraw/zinc/32/05/92/652320592.db2.gz ALMNXFCXEVWXBH-UHFFFAOYSA-N 1 3 301.390 2.126 20 0 DEADHO CC1(C)CN(C[C@@H](O)C[NH+]2CCCC2)CCc2ccccc21 ZINC000852348540 652389137 /nfs/dbraw/zinc/38/91/37/652389137.db2.gz MFUXMZZQUOYFEL-KRWDZBQOSA-N 1 3 302.462 2.279 20 0 DEADHO CN(C)c1ccc(N2CCC([NH2+]CC34CC(C3)CN4)CC2)cc1 ZINC000853246665 652529042 /nfs/dbraw/zinc/52/90/42/652529042.db2.gz PEBFHFROZJATQL-UHFFFAOYSA-N 1 3 314.477 2.063 20 0 DEADHO C[NH2+]C[C@H](C)N[C@H](C)CCCCN1C(=O)c2ccccc2C1=O ZINC000853250039 652529824 /nfs/dbraw/zinc/52/98/24/652529824.db2.gz ZFXZDUYCCYIMFV-KGLIPLIRSA-N 1 3 317.433 2.039 20 0 DEADHO Cc1cc(C[NH2+]C[C@H](C)N(C)C(=O)CN(C)C(C)C)cs1 ZINC001374333741 1157816293 /nfs/dbraw/zinc/81/62/93/1157816293.db2.gz ZEADVAQEBLNTBJ-ZDUSSCGKSA-N 1 3 311.495 2.333 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[N@@H+](C)CCCC1CCC1 ZINC001394131663 1158323961 /nfs/dbraw/zinc/32/39/61/1158323961.db2.gz NJXWCPQGMDBVTO-ZDUSSCGKSA-N 1 3 306.454 2.277 20 0 DEADHO CC(C)[NH2+]C[C@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001375255960 1158412144 /nfs/dbraw/zinc/41/21/44/1158412144.db2.gz DKVFQIXIOLJYLN-YOEHRIQHSA-N 1 3 313.461 2.092 20 0 DEADHO C[C@H](NC(=O)[C@H](N)CC1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382063722 685403210 /nfs/dbraw/zinc/40/32/10/685403210.db2.gz QISRPCQGVHKLQN-BMGDILEWSA-N 1 3 315.461 2.141 20 0 DEADHO C[C@H](NC(=O)[C@H](N)CC1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382063722 685403216 /nfs/dbraw/zinc/40/32/16/685403216.db2.gz QISRPCQGVHKLQN-BMGDILEWSA-N 1 3 315.461 2.141 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCN(CCOc2cccc(Br)c2)C1 ZINC000127194391 684161058 /nfs/dbraw/zinc/16/10/58/684161058.db2.gz ISCWZDQGTHOJHK-RYUDHWBXSA-N 1 3 313.239 2.497 20 0 DEADHO CN(CC(=O)N1CCC[C@@]2(CC[N@H+](CC3CC3)C2)C1)C1CCC1 ZINC001054145478 693862019 /nfs/dbraw/zinc/86/20/19/693862019.db2.gz QQMIHUZJHVMVTG-IBGZPJMESA-N 1 3 319.493 2.195 20 0 DEADHO CN(CC(=O)N1CCC[C@@]2(CC[N@@H+](CC3CC3)C2)C1)C1CCC1 ZINC001054145478 693862021 /nfs/dbraw/zinc/86/20/21/693862021.db2.gz QQMIHUZJHVMVTG-IBGZPJMESA-N 1 3 319.493 2.195 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@]2(CC[N@H+](CCCF)C2)C1)N(C)C ZINC001054154009 693865403 /nfs/dbraw/zinc/86/54/03/693865403.db2.gz OOWCQHLSCCQICR-NVXWUHKLSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@]2(CC[N@@H+](CCCF)C2)C1)N(C)C ZINC001054154009 693865404 /nfs/dbraw/zinc/86/54/04/693865404.db2.gz OOWCQHLSCCQICR-NVXWUHKLSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001054197975 693878849 /nfs/dbraw/zinc/87/88/49/693878849.db2.gz MOPLWJDQFXSTQZ-APWZRJJASA-N 1 3 319.493 2.195 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001054197975 693878854 /nfs/dbraw/zinc/87/88/54/693878854.db2.gz MOPLWJDQFXSTQZ-APWZRJJASA-N 1 3 319.493 2.195 20 0 DEADHO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000303314446 685232335 /nfs/dbraw/zinc/23/23/35/685232335.db2.gz DZVUQDVVNCMWLK-OKZBNKHCSA-N 1 3 315.461 2.285 20 0 DEADHO C[C@@H]([NH3+])CN(C)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000861581350 686149764 /nfs/dbraw/zinc/14/97/64/686149764.db2.gz NLFNYNDRINBHMH-NVXWUHKLSA-N 1 3 318.465 2.202 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCCN2CC)C1 ZINC001375509740 1158785796 /nfs/dbraw/zinc/78/57/96/1158785796.db2.gz FBJIIBHHXCJATC-LVQVYYBASA-N 1 3 313.461 2.093 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CC1CCCCC1 ZINC001054736673 694035607 /nfs/dbraw/zinc/03/56/07/694035607.db2.gz LDAFYTJPEAQTRZ-YJBOKZPZSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]Cc1ccsc1 ZINC001054738512 694036294 /nfs/dbraw/zinc/03/62/94/694036294.db2.gz QRHYTYKKAOASCU-HIFRSBDPSA-N 1 3 321.490 2.169 20 0 DEADHO CCc1onc(C)c1CN(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000930118030 694094340 /nfs/dbraw/zinc/09/43/40/694094340.db2.gz CDXBPISBLHTDHG-MRXNPFEDSA-N 1 3 320.481 2.146 20 0 DEADHO CCc1onc(C)c1CN(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000930118022 694094664 /nfs/dbraw/zinc/09/46/64/694094664.db2.gz CDXBPISBLHTDHG-INIZCTEOSA-N 1 3 320.481 2.146 20 0 DEADHO CC[N@H+](C)CCC(=O)N(C)C1CC(NCC=C(Cl)Cl)C1 ZINC001394863893 1158817754 /nfs/dbraw/zinc/81/77/54/1158817754.db2.gz XUTNVJHFVBKEME-UHFFFAOYSA-N 1 3 322.280 2.226 20 0 DEADHO CC[N@@H+](C)CCC(=O)N(C)C1CC(NCC=C(Cl)Cl)C1 ZINC001394863893 1158817756 /nfs/dbraw/zinc/81/77/56/1158817756.db2.gz XUTNVJHFVBKEME-UHFFFAOYSA-N 1 3 322.280 2.226 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001015794489 687423942 /nfs/dbraw/zinc/42/39/42/687423942.db2.gz HKXONHFDKAALDG-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001015794489 687423945 /nfs/dbraw/zinc/42/39/45/687423945.db2.gz HKXONHFDKAALDG-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)=CCN1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001015928865 687468757 /nfs/dbraw/zinc/46/87/57/687468757.db2.gz LGMMXNHCIUADPJ-QGZVFWFLSA-N 1 3 307.482 2.264 20 0 DEADHO CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001016862144 687721002 /nfs/dbraw/zinc/72/10/02/687721002.db2.gz RYGSRDGNHQESNQ-CVEARBPZSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H](C[N@H+](C)CC2CCC2)C1 ZINC001017208885 687824652 /nfs/dbraw/zinc/82/46/52/687824652.db2.gz KPWHRHVKKLMKEW-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H](C[N@@H+](C)CC2CCC2)C1 ZINC001017208885 687824657 /nfs/dbraw/zinc/82/46/57/687824657.db2.gz KPWHRHVKKLMKEW-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001017267654 687850020 /nfs/dbraw/zinc/85/00/20/687850020.db2.gz RROKBETXONPUPY-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC001017267654 687850025 /nfs/dbraw/zinc/85/00/25/687850025.db2.gz RROKBETXONPUPY-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001017852572 687972113 /nfs/dbraw/zinc/97/21/13/687972113.db2.gz ZEPMDAUDKFRASX-LUKYLMHMSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001017852572 687972118 /nfs/dbraw/zinc/97/21/18/687972118.db2.gz ZEPMDAUDKFRASX-LUKYLMHMSA-N 1 3 307.482 2.048 20 0 DEADHO CC1CCC(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC001019241695 688305117 /nfs/dbraw/zinc/30/51/17/688305117.db2.gz VFVPTNFTTZDBRQ-SJJHQCBESA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001019383035 688342901 /nfs/dbraw/zinc/34/29/01/688342901.db2.gz TWNIXAKZXRITMR-WBVHZDCISA-N 1 3 305.466 2.019 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1)N(C)C ZINC001019394174 688345490 /nfs/dbraw/zinc/34/54/90/688345490.db2.gz AULWJQJTVHCVCD-ROUUACIJSA-N 1 3 317.477 2.334 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001019820582 688413270 /nfs/dbraw/zinc/41/32/70/688413270.db2.gz PPIWUJOBOKGDDZ-DLBZAZTESA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CCCC2)C1)C1CC1 ZINC001029756147 688572920 /nfs/dbraw/zinc/57/29/20/688572920.db2.gz RJRMTWKEDUDMAY-WMZOPIPTSA-N 1 3 321.509 2.297 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCC2)C1)C1CC1 ZINC001029756147 688572922 /nfs/dbraw/zinc/57/29/22/688572922.db2.gz RJRMTWKEDUDMAY-WMZOPIPTSA-N 1 3 321.509 2.297 20 0 DEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870908029 688683534 /nfs/dbraw/zinc/68/35/34/688683534.db2.gz DCCFKQXRIUHIAF-WOVMCDHWSA-N 1 3 321.440 2.233 20 0 DEADHO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2cc3c(s2)CCNC3)C1 ZINC000870989678 688705382 /nfs/dbraw/zinc/70/53/82/688705382.db2.gz MLNNYOAFBCEPTE-KRWDZBQOSA-N 1 3 321.490 2.231 20 0 DEADHO C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc([O-])c1F ZINC000872036256 688917739 /nfs/dbraw/zinc/91/77/39/688917739.db2.gz QQYLWQJANJMGQW-KBPBESRZSA-N 1 3 310.413 2.419 20 0 DEADHO C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc([O-])c1F ZINC000872036256 688917742 /nfs/dbraw/zinc/91/77/42/688917742.db2.gz QQYLWQJANJMGQW-KBPBESRZSA-N 1 3 310.413 2.419 20 0 DEADHO Cc1ccc(CNC(=O)[C@@H](C)N(C)CCCCCC[NH3+])cc1 ZINC000872154775 688939716 /nfs/dbraw/zinc/93/97/16/688939716.db2.gz ALFYIMIJFBFTAH-MRXNPFEDSA-N 1 3 305.466 2.451 20 0 DEADHO CC(C)OC[C@@H](O)C[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000872218402 688956131 /nfs/dbraw/zinc/95/61/31/688956131.db2.gz NIFKNXAJBWHOMZ-WDSOQIARSA-N 1 3 320.477 2.130 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC(C)C)C1 ZINC001032581472 689193238 /nfs/dbraw/zinc/19/32/38/689193238.db2.gz UYAYKKNGHANJAH-IKGGRYGDSA-N 1 3 307.482 2.050 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC(C)C)C1 ZINC001032581472 689193239 /nfs/dbraw/zinc/19/32/39/689193239.db2.gz UYAYKKNGHANJAH-IKGGRYGDSA-N 1 3 307.482 2.050 20 0 DEADHO Cc1cccc(CN2CCO[C@H](CN[C@@H]3CCC[C@@H]([NH3+])C3)C2)c1 ZINC000873266937 689197969 /nfs/dbraw/zinc/19/79/69/689197969.db2.gz ULAQTRSTENTIGS-GUDVDZBRSA-N 1 3 317.477 2.055 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(CC=C(C)C)C1 ZINC001033125422 689398071 /nfs/dbraw/zinc/39/80/71/689398071.db2.gz DIKGPBHSKLGWAS-IRXDYDNUSA-N 1 3 307.482 2.360 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(CC=C(C)C)C1 ZINC001033125422 689398074 /nfs/dbraw/zinc/39/80/74/689398074.db2.gz DIKGPBHSKLGWAS-IRXDYDNUSA-N 1 3 307.482 2.360 20 0 DEADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000874831550 689506507 /nfs/dbraw/zinc/50/65/07/689506507.db2.gz ZAGALFSGNGWSHZ-KURKYZTESA-N 1 3 319.493 2.479 20 0 DEADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000874831550 689506511 /nfs/dbraw/zinc/50/65/11/689506511.db2.gz ZAGALFSGNGWSHZ-KURKYZTESA-N 1 3 319.493 2.479 20 0 DEADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000874840011 689512713 /nfs/dbraw/zinc/51/27/13/689512713.db2.gz ZATRGNLEECJPQA-BPQIPLTHSA-N 1 3 319.493 2.336 20 0 DEADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000874840011 689512716 /nfs/dbraw/zinc/51/27/16/689512716.db2.gz ZATRGNLEECJPQA-BPQIPLTHSA-N 1 3 319.493 2.336 20 0 DEADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001033591952 689553485 /nfs/dbraw/zinc/55/34/85/689553485.db2.gz WGRDQOAHCSTPLX-AWEZNQCLSA-N 1 3 304.438 2.020 20 0 DEADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033591952 689553491 /nfs/dbraw/zinc/55/34/91/689553491.db2.gz WGRDQOAHCSTPLX-AWEZNQCLSA-N 1 3 304.438 2.020 20 0 DEADHO CC1CC(C[N@@H+]2CC[C@H](N(C)C(=O)C(C)(C)c3c[nH]cn3)C2)C1 ZINC001033590843 689554165 /nfs/dbraw/zinc/55/41/65/689554165.db2.gz RDLIROUWNTWZGN-NRXISQOPSA-N 1 3 318.465 2.266 20 0 DEADHO CC1CC(C[N@H+]2CC[C@H](N(C)C(=O)C(C)(C)c3c[nH]cn3)C2)C1 ZINC001033590843 689554168 /nfs/dbraw/zinc/55/41/68/689554168.db2.gz RDLIROUWNTWZGN-NRXISQOPSA-N 1 3 318.465 2.266 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CC2)C1 ZINC001034285322 689795393 /nfs/dbraw/zinc/79/53/93/689795393.db2.gz BSBBEULAYHZLCK-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CC2)C1 ZINC001034285322 689795396 /nfs/dbraw/zinc/79/53/96/689795396.db2.gz BSBBEULAYHZLCK-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1ccc([C@H](CNC(=O)/C=C/[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000876731160 689919010 /nfs/dbraw/zinc/91/90/10/689919010.db2.gz FWLFZVVJUXSTCC-FRGBQATDSA-N 1 3 315.461 2.270 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1 ZINC001034734888 689936440 /nfs/dbraw/zinc/93/64/40/689936440.db2.gz BNFGACCZLLXGCF-XIRDDKMYSA-N 1 3 307.482 2.288 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876883421 689963853 /nfs/dbraw/zinc/96/38/53/689963853.db2.gz BMZYIGAYUXGAQL-KGLIPLIRSA-N 1 3 309.479 2.012 20 0 DEADHO COc1c(C)cnc(CNCC2(O)CC[NH+](C(C)C)CC2)c1C ZINC000877085134 690015040 /nfs/dbraw/zinc/01/50/40/690015040.db2.gz LWIGSPKQEMRVAY-UHFFFAOYSA-N 1 3 321.465 2.032 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001035052890 690021688 /nfs/dbraw/zinc/02/16/88/690021688.db2.gz XLPUFVNEJHCJNT-SJORKVTESA-N 1 3 321.440 2.247 20 0 DEADHO O=C(CN1CCCC1)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001035125046 690034090 /nfs/dbraw/zinc/03/40/90/690034090.db2.gz CFZYDILOVJBXDP-QGZVFWFLSA-N 1 3 307.482 2.243 20 0 DEADHO O=C(N[C@@H]1CCCCC12CC[NH2+]CC2)c1ccc2c(c1)CNC2 ZINC000877403845 690103469 /nfs/dbraw/zinc/10/34/69/690103469.db2.gz UVYZXRHLJHSMIP-QGZVFWFLSA-N 1 3 313.445 2.332 20 0 DEADHO CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001035668554 690147329 /nfs/dbraw/zinc/14/73/29/690147329.db2.gz IABCSULJBKCTEO-HZPDHXFCSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)(O)C[NH+]1CCC(NC[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000877564853 690153503 /nfs/dbraw/zinc/15/35/03/690153503.db2.gz NEFHOBSITBJZGW-CYBMUJFWSA-N 1 3 309.281 2.395 20 0 DEADHO CN(CC(=O)N1CCC2(C[NH+](CC3CCC3)C2)CC1)C1CCC1 ZINC001035722371 690160985 /nfs/dbraw/zinc/16/09/85/690160985.db2.gz QPFPKGUKEKAPQH-UHFFFAOYSA-N 1 3 319.493 2.195 20 0 DEADHO CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCCN1CC)CC2 ZINC001035857001 690194805 /nfs/dbraw/zinc/19/48/05/690194805.db2.gz IKSBMVCIEOWAFU-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CCC1CC1 ZINC001036055525 690247813 /nfs/dbraw/zinc/24/78/13/690247813.db2.gz PVTSLANTYQGUPH-GDBMZVCRSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CC1CCC1 ZINC001036055702 690248485 /nfs/dbraw/zinc/24/84/85/690248485.db2.gz RBCOVMIFNGTSSH-GOEBONIOSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001036206152 690290876 /nfs/dbraw/zinc/29/08/76/690290876.db2.gz PGYPJMNKGSRSPU-YOEHRIQHSA-N 1 3 316.449 2.279 20 0 DEADHO C[C@H]([NH2+]CC1CCC1)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001036415964 690345439 /nfs/dbraw/zinc/34/54/39/690345439.db2.gz TYADUYMRISMUKS-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H]2CCC3(CCOCC3)O2)[C@H](C)C1 ZINC000878256370 690360217 /nfs/dbraw/zinc/36/02/17/690360217.db2.gz CJHODIRVXSSPHO-IKGGRYGDSA-N 1 3 310.482 2.377 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C[C@@H]2CCC3(CCOCC3)O2)[C@H](C)C1 ZINC000878256370 690360219 /nfs/dbraw/zinc/36/02/19/690360219.db2.gz CJHODIRVXSSPHO-IKGGRYGDSA-N 1 3 310.482 2.377 20 0 DEADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H]1CCC(C)(C)CO1 ZINC000878312398 690375501 /nfs/dbraw/zinc/37/55/01/690375501.db2.gz MCDVHHXGSFJYDI-QGZVFWFLSA-N 1 3 311.514 2.149 20 0 DEADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H]1CCC(C)(C)CO1 ZINC000878312398 690375503 /nfs/dbraw/zinc/37/55/03/690375503.db2.gz MCDVHHXGSFJYDI-QGZVFWFLSA-N 1 3 311.514 2.149 20 0 DEADHO CC1(C)C[C@@H](CN2CCC(CO)([NH2+]CC3CC3)CC2)C(C)(C)O1 ZINC000878693936 690477939 /nfs/dbraw/zinc/47/79/39/690477939.db2.gz KJTNJBSHDJZJRH-INIZCTEOSA-N 1 3 324.509 2.407 20 0 DEADHO CC1(C)C[C@@H](C[NH+]2CCC(CO)(NCC3CC3)CC2)C(C)(C)O1 ZINC000878693936 690477942 /nfs/dbraw/zinc/47/79/42/690477942.db2.gz KJTNJBSHDJZJRH-INIZCTEOSA-N 1 3 324.509 2.407 20 0 DEADHO O[C@H](CN1CCCN(c2cc[nH+]cc2)CC1)c1cccc(F)c1 ZINC000878744521 690490035 /nfs/dbraw/zinc/49/00/35/690490035.db2.gz SSLNXJUKNQMAOK-GOSISDBHSA-N 1 3 315.392 2.466 20 0 DEADHO CC(C)(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001036830487 690490394 /nfs/dbraw/zinc/49/03/94/690490394.db2.gz WCRGGXIPGOIBQU-GDBMZVCRSA-N 1 3 318.465 2.311 20 0 DEADHO CC(C)(C)CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001036830487 690490395 /nfs/dbraw/zinc/49/03/95/690490395.db2.gz WCRGGXIPGOIBQU-GDBMZVCRSA-N 1 3 318.465 2.311 20 0 DEADHO CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001036829704 690490455 /nfs/dbraw/zinc/49/04/55/690490455.db2.gz JWNRVGQCQRUCSL-NVXWUHKLSA-N 1 3 318.465 2.311 20 0 DEADHO CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001036829704 690490456 /nfs/dbraw/zinc/49/04/56/690490456.db2.gz JWNRVGQCQRUCSL-NVXWUHKLSA-N 1 3 318.465 2.311 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1 ZINC001036830592 690491046 /nfs/dbraw/zinc/49/10/46/690491046.db2.gz XZEGGYPYXYXYEA-FUHWJXTLSA-N 1 3 324.428 2.075 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccccc2)C1 ZINC001036830592 690491048 /nfs/dbraw/zinc/49/10/48/690491048.db2.gz XZEGGYPYXYXYEA-FUHWJXTLSA-N 1 3 324.428 2.075 20 0 DEADHO Cc1cccc(C2(NCC(=O)NC3CC[NH+](C)CC3)CCC2)c1 ZINC000878761640 690493824 /nfs/dbraw/zinc/49/38/24/690493824.db2.gz POLNNAUFMRGZJC-UHFFFAOYSA-N 1 3 315.461 2.174 20 0 DEADHO CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@H]21 ZINC001036902400 690522000 /nfs/dbraw/zinc/52/20/00/690522000.db2.gz KDHPAXREFQNUHZ-QZTJIDSGSA-N 1 3 315.461 2.305 20 0 DEADHO CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@H]21 ZINC001036902400 690522003 /nfs/dbraw/zinc/52/20/03/690522003.db2.gz KDHPAXREFQNUHZ-QZTJIDSGSA-N 1 3 315.461 2.305 20 0 DEADHO Cc1cccc([C@H](NCC(=O)NC2CC[NH+](C)CC2)C(C)C)c1 ZINC000879052734 690558360 /nfs/dbraw/zinc/55/83/60/690558360.db2.gz FGENELJHCIIYHD-LJQANCHMSA-N 1 3 317.477 2.492 20 0 DEADHO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCC3(CC2)CC[NH+](C)CC3)C1 ZINC000879247327 690602684 /nfs/dbraw/zinc/60/26/84/690602684.db2.gz RWQYRFDNRJHVNJ-CALCHBBNSA-N 1 3 321.509 2.299 20 0 DEADHO CN(C)c1cc(CN2CCC3(CC2)CC[NH+](C)CC3)ccn1 ZINC000879250139 690603202 /nfs/dbraw/zinc/60/32/02/690603202.db2.gz NKESMJRHROUOQB-UHFFFAOYSA-N 1 3 302.466 2.455 20 0 DEADHO CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1[NH2+]C(C)C ZINC001037924799 690641142 /nfs/dbraw/zinc/64/11/42/690641142.db2.gz BJODJJSPYDUXRW-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO COc1cccc([C@@H]2CN(CC[C@@H]3CCC[N@@H+]3C)CCN2)c1 ZINC000879523422 690661968 /nfs/dbraw/zinc/66/19/68/690661968.db2.gz CNUPSKFLKFERMC-WMZOPIPTSA-N 1 3 303.450 2.126 20 0 DEADHO COc1cccc([C@@H]2CN(CC[C@@H]3CCC[N@H+]3C)CCN2)c1 ZINC000879523422 690661970 /nfs/dbraw/zinc/66/19/70/690661970.db2.gz CNUPSKFLKFERMC-WMZOPIPTSA-N 1 3 303.450 2.126 20 0 DEADHO CN1CC[NH+](C2CCN(C[C@@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000879595079 690683758 /nfs/dbraw/zinc/68/37/58/690683758.db2.gz WZUFPEKDUPLOSQ-CQSZACIVSA-N 1 3 320.308 2.282 20 0 DEADHO CC(C)CN1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038249707 690757900 /nfs/dbraw/zinc/75/79/00/690757900.db2.gz WEOCSOXARVIMNM-AEFFLSMTSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CN1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038249707 690757902 /nfs/dbraw/zinc/75/79/02/690757902.db2.gz WEOCSOXARVIMNM-AEFFLSMTSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2CCC2CCCC2)CC[N@@H+]1C ZINC001038268514 690762724 /nfs/dbraw/zinc/76/27/24/690762724.db2.gz JRIIUNOWLRKLHS-HYVNUMGLSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2CCC2CCCC2)CC[N@H+]1C ZINC001038268514 690762728 /nfs/dbraw/zinc/76/27/28/690762728.db2.gz JRIIUNOWLRKLHS-HYVNUMGLSA-N 1 3 307.482 2.097 20 0 DEADHO CCC(CC)CN1CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001038456538 690827577 /nfs/dbraw/zinc/82/75/77/690827577.db2.gz WHBCCDLHCVEGFR-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CCCCN1CC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038701049 690901174 /nfs/dbraw/zinc/90/11/74/690901174.db2.gz UYBBBDHASQVFDW-SFHVURJKSA-N 1 3 317.477 2.395 20 0 DEADHO CC(C)=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001039460270 691110708 /nfs/dbraw/zinc/11/07/08/691110708.db2.gz IOOIIUFPUDFKQK-KURKYZTESA-N 1 3 319.493 2.360 20 0 DEADHO CC(C)=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001039460270 691110710 /nfs/dbraw/zinc/11/07/10/691110710.db2.gz IOOIIUFPUDFKQK-KURKYZTESA-N 1 3 319.493 2.360 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC(C)C)CC[N@@H+]1C ZINC001039607005 691134521 /nfs/dbraw/zinc/13/45/21/691134521.db2.gz BALIZFSNLOPTLW-XWTMOSNGSA-N 1 3 321.509 2.438 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC(C)C)CC[N@H+]1C ZINC001039607005 691134522 /nfs/dbraw/zinc/13/45/22/691134522.db2.gz BALIZFSNLOPTLW-XWTMOSNGSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001040239897 691218683 /nfs/dbraw/zinc/21/86/83/691218683.db2.gz ALFRQZJPJVVEIB-MJGOQNOKSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001040239897 691218685 /nfs/dbraw/zinc/21/86/85/691218685.db2.gz ALFRQZJPJVVEIB-MJGOQNOKSA-N 1 3 321.509 2.297 20 0 DEADHO CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040241618 691219019 /nfs/dbraw/zinc/21/90/19/691219019.db2.gz PZNKRGGHEBXVRP-SFHVURJKSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[N@H+]1CCC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040241618 691219022 /nfs/dbraw/zinc/21/90/22/691219022.db2.gz PZNKRGGHEBXVRP-SFHVURJKSA-N 1 3 307.482 2.195 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2)C1CC1 ZINC001040240803 691219416 /nfs/dbraw/zinc/21/94/16/691219416.db2.gz JOSMIKVABXSIAM-PKOBYXMFSA-N 1 3 319.493 2.051 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CC1)C2)C1CC1 ZINC001040240803 691219420 /nfs/dbraw/zinc/21/94/20/691219420.db2.gz JOSMIKVABXSIAM-PKOBYXMFSA-N 1 3 319.493 2.051 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001041378138 691369029 /nfs/dbraw/zinc/36/90/29/691369029.db2.gz HNANLSPSCLIBPA-HKUYNNGSSA-N 1 3 321.509 2.463 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001041378138 691369031 /nfs/dbraw/zinc/36/90/31/691369031.db2.gz HNANLSPSCLIBPA-HKUYNNGSSA-N 1 3 321.509 2.463 20 0 DEADHO COCc1c(C)cc(C)c(C[NH2+]C[C@@H](O)CN2CCCC2)c1C ZINC000882916144 691385977 /nfs/dbraw/zinc/38/59/77/691385977.db2.gz ICZYBOAHCZUJEH-QGZVFWFLSA-N 1 3 320.477 2.305 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001041644837 691404817 /nfs/dbraw/zinc/40/48/17/691404817.db2.gz HNANLSPSCLIBPA-IEBWSBKVSA-N 1 3 321.509 2.463 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001041644837 691404820 /nfs/dbraw/zinc/40/48/20/691404820.db2.gz HNANLSPSCLIBPA-IEBWSBKVSA-N 1 3 321.509 2.463 20 0 DEADHO CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001041647573 691405054 /nfs/dbraw/zinc/40/50/54/691405054.db2.gz YJUTYLYRKBOALF-AEFFLSMTSA-N 1 3 309.498 2.297 20 0 DEADHO CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001041647573 691405055 /nfs/dbraw/zinc/40/50/55/691405055.db2.gz YJUTYLYRKBOALF-AEFFLSMTSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001041674049 691408483 /nfs/dbraw/zinc/40/84/83/691408483.db2.gz HOAJHNAEYOXOEM-APWZRJJASA-N 1 3 319.493 2.195 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001041674049 691408486 /nfs/dbraw/zinc/40/84/86/691408486.db2.gz HOAJHNAEYOXOEM-APWZRJJASA-N 1 3 319.493 2.195 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001041674129 691408647 /nfs/dbraw/zinc/40/86/47/691408647.db2.gz IESYLTFQHSILRK-FUHWJXTLSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)C[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001041674129 691408649 /nfs/dbraw/zinc/40/86/49/691408649.db2.gz IESYLTFQHSILRK-FUHWJXTLSA-N 1 3 307.482 2.051 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@H]21 ZINC001042311825 691565546 /nfs/dbraw/zinc/56/55/46/691565546.db2.gz ANRHATOJVMZZAF-CABCVRRESA-N 1 3 318.465 2.410 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@H]21 ZINC001042311825 691565549 /nfs/dbraw/zinc/56/55/49/691565549.db2.gz ANRHATOJVMZZAF-CABCVRRESA-N 1 3 318.465 2.410 20 0 DEADHO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCc1ccccc1CN(C)C ZINC000884180991 691675453 /nfs/dbraw/zinc/67/54/53/691675453.db2.gz RKSXOLOOZUBLEG-MRXNPFEDSA-N 1 3 305.466 2.374 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000884201359 691681139 /nfs/dbraw/zinc/68/11/39/691681139.db2.gz WFBTVRYVJCTDKY-PVAVHDDUSA-N 1 3 315.461 2.184 20 0 DEADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](N)CC2CC2)CC1 ZINC000884213499 691684066 /nfs/dbraw/zinc/68/40/66/691684066.db2.gz DAFAGTRMZHRCGM-RDTXWAMCSA-N 1 3 315.461 2.456 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CCC2CC2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001044741399 691880676 /nfs/dbraw/zinc/88/06/76/691880676.db2.gz ACYFRUUBOGXEKZ-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044750439 691881538 /nfs/dbraw/zinc/88/15/38/691881538.db2.gz OIUWUQHVDRIPPT-HOCLYGCPSA-N 1 3 312.417 2.122 20 0 DEADHO CN(CC(=O)N1CCC[C@H]1C[NH2+]CC1CCCC1)C1CCC1 ZINC001045070793 691935276 /nfs/dbraw/zinc/93/52/76/691935276.db2.gz WFXKZNNNCBKLGF-KRWDZBQOSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1F)N(C)C ZINC001045089696 691936690 /nfs/dbraw/zinc/93/66/90/691936690.db2.gz LWBHVYZCRFIGSJ-DOTOQJQBSA-N 1 3 321.440 2.247 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccsc1)N(C)C ZINC001045205143 691951218 /nfs/dbraw/zinc/95/12/18/691951218.db2.gz FVFBRTIEUDINOL-GJZGRUSLSA-N 1 3 309.479 2.169 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2C[NH2+]CC2CCCCC2)C1 ZINC001045200279 691951257 /nfs/dbraw/zinc/95/12/57/691951257.db2.gz SFMPFGGUNWQJCL-WMZOPIPTSA-N 1 3 321.509 2.489 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]1C[NH2+][C@H]1CCc2ccccc21 ZINC001045218540 691953148 /nfs/dbraw/zinc/95/31/48/691953148.db2.gz SLEVROIWGIVEKO-WMZOPIPTSA-N 1 3 324.428 2.220 20 0 DEADHO O=C(CN1CCCC1)N1CCC[C@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001045310208 691961564 /nfs/dbraw/zinc/96/15/64/691961564.db2.gz JVFKTDDXWSKABR-KRWDZBQOSA-N 1 3 319.424 2.002 20 0 DEADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H]1CCC2(CCC2)CO1 ZINC000886090435 692001375 /nfs/dbraw/zinc/00/13/75/692001375.db2.gz XXFCYZRKMJVEBK-GOSISDBHSA-N 1 3 323.525 2.294 20 0 DEADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H]1CCC2(CCC2)CO1 ZINC000886090435 692001379 /nfs/dbraw/zinc/00/13/79/692001379.db2.gz XXFCYZRKMJVEBK-GOSISDBHSA-N 1 3 323.525 2.294 20 0 DEADHO CC(C)[C@@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cnn(C)c1 ZINC000886526957 692102151 /nfs/dbraw/zinc/10/21/51/692102151.db2.gz VZOLXPWXBVIEOQ-QZTJIDSGSA-N 1 3 320.481 2.350 20 0 DEADHO Cc1ccc(CN2CC[C@@](C)(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001046834923 692312568 /nfs/dbraw/zinc/31/25/68/692312568.db2.gz XYDSQCYEGMCALS-IEBWSBKVSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccc(CN2CC[C@@](C)(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001046834923 692312571 /nfs/dbraw/zinc/31/25/71/692312571.db2.gz XYDSQCYEGMCALS-IEBWSBKVSA-N 1 3 315.461 2.027 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CC(C)C3)C[C@@H]2C1)N(C)C ZINC001049039060 692749481 /nfs/dbraw/zinc/74/94/81/692749481.db2.gz NSIXLKLNHFFJFU-KWXGJIJISA-N 1 3 321.509 2.009 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CC3CC(C)C3)C[C@@H]2C1)N(C)C ZINC001049039060 692749483 /nfs/dbraw/zinc/74/94/83/692749483.db2.gz NSIXLKLNHFFJFU-KWXGJIJISA-N 1 3 321.509 2.009 20 0 DEADHO CCC[N@H+]1C[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]2C1 ZINC001049231566 692795587 /nfs/dbraw/zinc/79/55/87/692795587.db2.gz AMZPJBFILGZHPZ-CALCHBBNSA-N 1 3 315.461 2.162 20 0 DEADHO CCC[N@@H+]1C[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]2C1 ZINC001049231566 692795589 /nfs/dbraw/zinc/79/55/89/692795589.db2.gz AMZPJBFILGZHPZ-CALCHBBNSA-N 1 3 315.461 2.162 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCC1)N(C)C ZINC001049713035 692972495 /nfs/dbraw/zinc/97/24/95/692972495.db2.gz WNXADYCKCLLYQB-KZNAEPCWSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CCC1)N(C)C ZINC001049713035 692972500 /nfs/dbraw/zinc/97/25/00/692972500.db2.gz WNXADYCKCLLYQB-KZNAEPCWSA-N 1 3 321.509 2.438 20 0 DEADHO COC(=O)[C@H]1[C@H](CN2CCC(CCC[NH+](C)C)CC2)C1(F)F ZINC000894057498 692974772 /nfs/dbraw/zinc/97/47/72/692974772.db2.gz KXLTWDQFQBXIBP-UONOGXRCSA-N 1 3 318.408 2.095 20 0 DEADHO CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCCN1C(C)C ZINC001049766503 692993334 /nfs/dbraw/zinc/99/33/34/692993334.db2.gz LSBGBQSCCMVWRH-BRWVUGGUSA-N 1 3 307.482 2.335 20 0 DEADHO CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCCN1C(C)C ZINC001049766503 692993336 /nfs/dbraw/zinc/99/33/36/692993336.db2.gz LSBGBQSCCMVWRH-BRWVUGGUSA-N 1 3 307.482 2.335 20 0 DEADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2c(C)noc2C)CC1 ZINC000924949611 693206223 /nfs/dbraw/zinc/20/62/23/693206223.db2.gz HCDSSKAFCMCGRC-KBPBESRZSA-N 1 3 308.470 2.216 20 0 DEADHO COC1CCN(CCNC2CC[NH+](CCC(C)C)CC2)CC1 ZINC000925233238 693245184 /nfs/dbraw/zinc/24/51/84/693245184.db2.gz SZGDUMKGXHVUET-UHFFFAOYSA-N 1 3 311.514 2.197 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1nc2c(s1)CCCC2 ZINC000925405600 693268872 /nfs/dbraw/zinc/26/88/72/693268872.db2.gz WYZXPGDNJVFRRM-MPYYAJLASA-N 1 3 305.491 2.494 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCN3CCCC[C@H]23)C[C@@H](C)O1 ZINC000925439499 693273083 /nfs/dbraw/zinc/27/30/83/693273083.db2.gz KYNIVCVNIXNVMT-NCXUSEDFSA-N 1 3 323.525 2.482 20 0 DEADHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCc2cccc(CS(C)(=O)=O)c2)C1 ZINC000925546677 693294012 /nfs/dbraw/zinc/29/40/12/693294012.db2.gz MHIMTBAJDFIFLW-JKSUJKDBSA-N 1 3 324.490 2.227 20 0 DEADHO C[C@H]1[NH2+]CCC[C@@H]1NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000925547504 693294097 /nfs/dbraw/zinc/29/40/97/693294097.db2.gz VZTVLMBOQNUYDH-DYVFJYSZSA-N 1 3 319.424 2.160 20 0 DEADHO NC(=O)c1cccc(CC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)c1 ZINC000925592832 693304630 /nfs/dbraw/zinc/30/46/30/693304630.db2.gz JDMNPHYDOUJFQN-ZWKOTPCHSA-N 1 3 315.461 2.086 20 0 DEADHO [NH3+]CCC[C@H](NC[C@@H]1CCCCS1(=O)=O)c1ccccc1 ZINC000925635378 693313973 /nfs/dbraw/zinc/31/39/73/693313973.db2.gz QFVPPINHWMYJSQ-HOTGVXAUSA-N 1 3 310.463 2.024 20 0 DEADHO COc1ccc([C@H](CO)CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925684450 693324560 /nfs/dbraw/zinc/32/45/60/693324560.db2.gz BEYBZPUZADQFIK-HRCADAONSA-N 1 3 306.450 2.267 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC(C)C1)N(C)C ZINC001051356873 693344979 /nfs/dbraw/zinc/34/49/79/693344979.db2.gz ZCCPFNNOLRRGDX-BACDZXNISA-N 1 3 309.498 2.343 20 0 DEADHO COC[C@H](NCCN1CCC([NH3+])CC1)c1cccc(Cl)c1 ZINC000925817719 693347732 /nfs/dbraw/zinc/34/77/32/693347732.db2.gz VZIKGLHQVNXUPX-INIZCTEOSA-N 1 3 311.857 2.040 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000926284640 693428580 /nfs/dbraw/zinc/42/85/80/693428580.db2.gz NUWZRHACGGMSFY-KLFQPIRESA-N 1 3 318.436 2.222 20 0 DEADHO CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C2 ZINC001402439702 1162355517 /nfs/dbraw/zinc/35/55/17/1162355517.db2.gz MAICWDRXABPCFN-ZJPYXAASSA-N 1 3 321.509 2.488 20 0 DEADHO CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C2 ZINC001402439702 1162355522 /nfs/dbraw/zinc/35/55/22/1162355522.db2.gz MAICWDRXABPCFN-ZJPYXAASSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC(C)([NH2+]Cc2ccccc2)CC1 ZINC001402783181 1162471113 /nfs/dbraw/zinc/47/11/13/1162471113.db2.gz ROHHGBANDRITRO-UHFFFAOYSA-N 1 3 317.477 2.498 20 0 DEADHO CC1CCN(CC[C@H]2CCC[N@@H+]2C[C@@]2(O)CCCOC2)CC1 ZINC001414038046 1152544022 /nfs/dbraw/zinc/54/40/22/1152544022.db2.gz UACHAULMBMANAN-MSOLQXFVSA-N 1 3 310.482 2.114 20 0 DEADHO CC1CCN(CC[C@H]2CCC[N@H+]2C[C@@]2(O)CCCOC2)CC1 ZINC001414038046 1152544023 /nfs/dbraw/zinc/54/40/23/1152544023.db2.gz UACHAULMBMANAN-MSOLQXFVSA-N 1 3 310.482 2.114 20 0 DEADHO C[C@H]1CCN(CC(=O)NC2CCC([NH2+]C/C=C\Cl)CC2)C1 ZINC001402831127 1162488368 /nfs/dbraw/zinc/48/83/68/1162488368.db2.gz UOBGETDKJNZJNG-DMGQAFJOSA-N 1 3 313.873 2.098 20 0 DEADHO C[C@@H](CC[NH+](C)C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001361638857 1152700188 /nfs/dbraw/zinc/70/01/88/1152700188.db2.gz CBODCUMDGUCEEL-WMZOPIPTSA-N 1 3 317.477 2.355 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C1CC[NH+](CC2CCC2)CC1)N(C)C ZINC001380142666 1152756343 /nfs/dbraw/zinc/75/63/43/1152756343.db2.gz ITZHIUUZZLIWAA-WMLDXEAASA-N 1 3 309.498 2.343 20 0 DEADHO Cc1cc(CNC2(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC2)cs1 ZINC001380161492 1152759866 /nfs/dbraw/zinc/75/98/66/1152759866.db2.gz ZJTOPKVKNVBCJL-HNNXBMFYSA-N 1 3 323.506 2.381 20 0 DEADHO CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)C1CCCCCC1 ZINC001380179862 1152763206 /nfs/dbraw/zinc/76/32/06/1152763206.db2.gz QYWNWUQUBMXZOC-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)C1CCCCCC1 ZINC001380179862 1152763208 /nfs/dbraw/zinc/76/32/08/1152763208.db2.gz QYWNWUQUBMXZOC-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)N1CCCN(C(=O)c2cccc(CC[NH+](C)C)c2)CC1 ZINC001361900544 1152771377 /nfs/dbraw/zinc/77/13/77/1152771377.db2.gz VMPBUYPQUZFFMX-UHFFFAOYSA-N 1 3 317.477 2.347 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccccc2)C1 ZINC001380675086 1152842458 /nfs/dbraw/zinc/84/24/58/1152842458.db2.gz IHWMKTCGIKQQRX-FUHWJXTLSA-N 1 3 317.477 2.353 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CCC[N@H+](C)Cc1ccccc1 ZINC001380988102 1152890186 /nfs/dbraw/zinc/89/01/86/1152890186.db2.gz JJALRCZUPOFCPY-UHFFFAOYSA-N 1 3 305.466 2.307 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001381028261 1152894904 /nfs/dbraw/zinc/89/49/04/1152894904.db2.gz BFKCXECLWGKDQR-LJQANCHMSA-N 1 3 321.509 2.443 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001381028261 1152894907 /nfs/dbraw/zinc/89/49/07/1152894907.db2.gz BFKCXECLWGKDQR-LJQANCHMSA-N 1 3 321.509 2.443 20 0 DEADHO CC(C)N1Cc2ccccc2C[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001381031154 1152895421 /nfs/dbraw/zinc/89/54/21/1152895421.db2.gz LRQQYULXDHHTQU-GOSISDBHSA-N 1 3 317.477 2.280 20 0 DEADHO CC[C@@H](C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001381299153 1152994738 /nfs/dbraw/zinc/99/47/38/1152994738.db2.gz SBHHHPMRYFXAHI-CVEARBPZSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001381299153 1152994745 /nfs/dbraw/zinc/99/47/45/1152994745.db2.gz SBHHHPMRYFXAHI-CVEARBPZSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001381390709 1153036321 /nfs/dbraw/zinc/03/63/21/1153036321.db2.gz NBAJAJKZCFFQRQ-UONOGXRCSA-N 1 3 321.440 2.293 20 0 DEADHO C[C@@H](NCc1cncs1)[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001381445685 1153065330 /nfs/dbraw/zinc/06/53/30/1153065330.db2.gz GIPCKUQZMMIRHQ-ZIAGYGMSSA-N 1 3 324.494 2.002 20 0 DEADHO O=C(N[C@@]12CCN(C1)CCC2)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001363202061 1153266003 /nfs/dbraw/zinc/26/60/03/1153266003.db2.gz OSFAWDNFWARKQZ-WMZOPIPTSA-N 1 3 305.466 2.138 20 0 DEADHO O=C(N[C@@]12CCN(C1)CCC2)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001363202061 1153266005 /nfs/dbraw/zinc/26/60/05/1153266005.db2.gz OSFAWDNFWARKQZ-WMZOPIPTSA-N 1 3 305.466 2.138 20 0 DEADHO CC[C@@H](F)C[N@H+](C)C1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC001381982208 1153303906 /nfs/dbraw/zinc/30/39/06/1153303906.db2.gz WMKCPASVJKPMNY-GDBMZVCRSA-N 1 3 313.461 2.142 20 0 DEADHO CC[C@@H](F)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC001381982208 1153303912 /nfs/dbraw/zinc/30/39/12/1153303912.db2.gz WMKCPASVJKPMNY-GDBMZVCRSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@H](C(=O)N(C)[C@H](C[NH2+]CC1CC1)C1CC1)N1CCCCCC1 ZINC001382035497 1153325844 /nfs/dbraw/zinc/32/58/44/1153325844.db2.gz VBGDKSYWFQNYCB-CRAIPNDOSA-N 1 3 321.509 2.488 20 0 DEADHO CN1CCC[C@@H]1CC[N@H+](C)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001363322235 1153335302 /nfs/dbraw/zinc/33/53/02/1153335302.db2.gz FKHMPDGZXNEINO-WCVJEAGWSA-N 1 3 323.481 2.268 20 0 DEADHO CN1CCC[C@@H]1CC[N@@H+](C)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001363322235 1153335309 /nfs/dbraw/zinc/33/53/09/1153335309.db2.gz FKHMPDGZXNEINO-WCVJEAGWSA-N 1 3 323.481 2.268 20 0 DEADHO C[C@@H](CN(C)C(=O)CN(C)CC(C)(C)C)[NH2+]C/C=C\Cl ZINC001382118776 1153365261 /nfs/dbraw/zinc/36/52/61/1153365261.db2.gz JASUHPUTBDJPRC-WSROAFLRSA-N 1 3 303.878 2.153 20 0 DEADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]CC=C(Cl)Cl)C1)N(C)C ZINC001382589085 1153476998 /nfs/dbraw/zinc/47/69/98/1153476998.db2.gz KSVYQOMVFQBNSL-MCIGGMRASA-N 1 3 322.280 2.225 20 0 DEADHO CN1C[C@@H]2CC[C@H]([NH2+]CC3(CNC(=O)OC(C)(C)C)CC3)[C@@H]2C1 ZINC001363691397 1153558001 /nfs/dbraw/zinc/55/80/01/1153558001.db2.gz ZWDFWCFEVKSLOL-ZNMIVQPWSA-N 1 3 323.481 2.221 20 0 DEADHO C[NH+](C)CCC(=O)N[C@@H]1CCCN(CCCc2ccsc2)C1 ZINC001389394647 1155329033 /nfs/dbraw/zinc/32/90/33/1155329033.db2.gz VESMGZVQHLPGQV-MRXNPFEDSA-N 1 3 323.506 2.213 20 0 DEADHO CCc1ccc(CN2CC[C@H](NC(=O)CC[N@@H+](C)CC)C2)cc1 ZINC001389492731 1155352696 /nfs/dbraw/zinc/35/26/96/1155352696.db2.gz AHWQMKBSLOOPLA-SFHVURJKSA-N 1 3 317.477 2.281 20 0 DEADHO CCc1ccc(CN2CC[C@H](NC(=O)CC[N@H+](C)CC)C2)cc1 ZINC001389492731 1155352700 /nfs/dbraw/zinc/35/27/00/1155352700.db2.gz AHWQMKBSLOOPLA-SFHVURJKSA-N 1 3 317.477 2.281 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001389822403 1155443442 /nfs/dbraw/zinc/44/34/42/1155443442.db2.gz ALUBPWHHOGNNQJ-JCYILVPMSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2c(C)cccc2C)C1)N(C)C ZINC001389892593 1155464619 /nfs/dbraw/zinc/46/46/19/1155464619.db2.gz CEDNWARSNVSEEP-BQFCYCMXSA-N 1 3 317.477 2.380 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001390531619 1155795100 /nfs/dbraw/zinc/79/51/00/1155795100.db2.gz FDCHBTXRYBGNBZ-KGLIPLIRSA-N 1 3 319.440 2.246 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC1CCCCCC1 ZINC001371362584 1155833766 /nfs/dbraw/zinc/83/37/66/1155833766.db2.gz JXUSFUZPHFYEMZ-CVEARBPZSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@@H](c1ccccc1)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001390767969 1155864790 /nfs/dbraw/zinc/86/47/90/1155864790.db2.gz RYVQZJHNSQVGRF-ZMSDIMECSA-N 1 3 303.450 2.136 20 0 DEADHO C[C@@H](c1ccccc1)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001390767969 1155864791 /nfs/dbraw/zinc/86/47/91/1155864791.db2.gz RYVQZJHNSQVGRF-ZMSDIMECSA-N 1 3 303.450 2.136 20 0 DEADHO Cc1cccc([C@H](C)[N@H+](C)CCNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001390813772 1155879917 /nfs/dbraw/zinc/87/99/17/1155879917.db2.gz BVRRKRUDFAFMGP-SJORKVTESA-N 1 3 317.477 2.446 20 0 DEADHO Cc1cccc([C@H](C)[N@@H+](C)CCNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001390813772 1155879918 /nfs/dbraw/zinc/87/99/18/1155879918.db2.gz BVRRKRUDFAFMGP-SJORKVTESA-N 1 3 317.477 2.446 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2nccs2)C1 ZINC001371656318 1155896051 /nfs/dbraw/zinc/89/60/51/1155896051.db2.gz CYXYFMYXBKDPLP-ZIAGYGMSSA-N 1 3 324.494 2.002 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001391059171 1156075706 /nfs/dbraw/zinc/07/57/06/1156075706.db2.gz GGJJFXLEOGAKLS-RHSMWYFYSA-N 1 3 313.461 2.188 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001391059171 1156075713 /nfs/dbraw/zinc/07/57/13/1156075713.db2.gz GGJJFXLEOGAKLS-RHSMWYFYSA-N 1 3 313.461 2.188 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[N@H+](C)CC2CCCCCC2)C1 ZINC001372103110 1156211706 /nfs/dbraw/zinc/21/17/06/1156211706.db2.gz NXLPXYUZQUEHII-MRXNPFEDSA-N 1 3 309.498 2.347 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[N@@H+](C)CC2CCCCCC2)C1 ZINC001372103110 1156211720 /nfs/dbraw/zinc/21/17/20/1156211720.db2.gz NXLPXYUZQUEHII-MRXNPFEDSA-N 1 3 309.498 2.347 20 0 DEADHO CC[C@H](C(=O)NCC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC001391302254 1156322667 /nfs/dbraw/zinc/32/26/67/1156322667.db2.gz UPHQXGNSVDUEMK-QZTJIDSGSA-N 1 3 317.477 2.355 20 0 DEADHO CC[C@H](C(=O)NCC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC001391302254 1156322671 /nfs/dbraw/zinc/32/26/71/1156322671.db2.gz UPHQXGNSVDUEMK-QZTJIDSGSA-N 1 3 317.477 2.355 20 0 DEADHO CC[N@H+](CCNC(=O)[C@@H]1CCCN1C)Cc1ccc(Cl)cc1 ZINC001372282813 1156340640 /nfs/dbraw/zinc/34/06/40/1156340640.db2.gz HZDDRRWPZULRHZ-INIZCTEOSA-N 1 3 323.868 2.372 20 0 DEADHO CC[N@@H+](CCNC(=O)[C@@H]1CCCN1C)Cc1ccc(Cl)cc1 ZINC001372282813 1156340645 /nfs/dbraw/zinc/34/06/45/1156340645.db2.gz HZDDRRWPZULRHZ-INIZCTEOSA-N 1 3 323.868 2.372 20 0 DEADHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001391716100 1156726906 /nfs/dbraw/zinc/72/69/06/1156726906.db2.gz BZGITJDSDZPZKH-GDBMZVCRSA-N 1 3 309.498 2.249 20 0 DEADHO CC[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]C/C=C\Cl ZINC001391721045 1156735007 /nfs/dbraw/zinc/73/50/07/1156735007.db2.gz TWTMRNMLKNUNDX-MEJMFZKBSA-N 1 3 301.862 2.098 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N(C)Cc1ccc(C)c(F)c1 ZINC001403197935 1162816273 /nfs/dbraw/zinc/81/62/73/1162816273.db2.gz UHRCYJXQNYVWNZ-HNNXBMFYSA-N 1 3 323.456 2.412 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N(C)Cc1ccc(C)c(F)c1 ZINC001403197935 1162816274 /nfs/dbraw/zinc/81/62/74/1162816274.db2.gz UHRCYJXQNYVWNZ-HNNXBMFYSA-N 1 3 323.456 2.412 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+](CC2CCC2)C1)N1CCCC1 ZINC001373407366 1157033955 /nfs/dbraw/zinc/03/39/55/1157033955.db2.gz MXFLROLFHLSZTI-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CCC[N@@H+](CC2CCC2)C1)N1CCCC1 ZINC001373407366 1157033959 /nfs/dbraw/zinc/03/39/59/1157033959.db2.gz MXFLROLFHLSZTI-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001392505626 1157081042 /nfs/dbraw/zinc/08/10/42/1157081042.db2.gz RJBSYDJRFZKIMF-NVXWUHKLSA-N 1 3 305.466 2.176 20 0 DEADHO CCc1ccccc1C[NH+]1CC(CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001373550297 1157092076 /nfs/dbraw/zinc/09/20/76/1157092076.db2.gz PJDLLENMTKGHEO-GOSISDBHSA-N 1 3 317.477 2.137 20 0 DEADHO CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1ccccc1 ZINC001373789463 1157365723 /nfs/dbraw/zinc/36/57/23/1157365723.db2.gz FLAMPXKUNDYKDF-IAGOWNOFSA-N 1 3 305.466 2.257 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cc(C)ccc1F)N(C)C ZINC001374102781 1157624906 /nfs/dbraw/zinc/62/49/06/1157624906.db2.gz ZVMWODDUHSCASO-YOEHRIQHSA-N 1 3 323.456 2.316 20 0 DEADHO CC[N@H+](C)CCC(=O)NCC1(C)CCN(C/C=C/Cl)CC1 ZINC001393188516 1157746123 /nfs/dbraw/zinc/74/61/23/1157746123.db2.gz UNYFMJRUTOMGGW-WEVVVXLNSA-N 1 3 315.889 2.299 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCC1(C)CCN(C/C=C/Cl)CC1 ZINC001393188516 1157746131 /nfs/dbraw/zinc/74/61/31/1157746131.db2.gz UNYFMJRUTOMGGW-WEVVVXLNSA-N 1 3 315.889 2.299 20 0 DEADHO C[N@H+](CCC(=O)NCC1(NCCF)CCC1)C1CCCCC1 ZINC001393548639 1157860062 /nfs/dbraw/zinc/86/00/62/1157860062.db2.gz KHIIXNBQNNRGJY-UHFFFAOYSA-N 1 3 313.461 2.239 20 0 DEADHO C[N@@H+](CCC(=O)NCC1(NCCF)CCC1)C1CCCCC1 ZINC001393548639 1157860064 /nfs/dbraw/zinc/86/00/64/1157860064.db2.gz KHIIXNBQNNRGJY-UHFFFAOYSA-N 1 3 313.461 2.239 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[N@H+](C)[C@@H](C)c1ccccc1)N(C)C ZINC001374533096 1157890651 /nfs/dbraw/zinc/89/06/51/1157890651.db2.gz BAXCBCYNTBCUPH-RDJZCZTQSA-N 1 3 305.466 2.478 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)[C@@H](C)c1ccccc1)N(C)C ZINC001374533096 1157890652 /nfs/dbraw/zinc/89/06/52/1157890652.db2.gz BAXCBCYNTBCUPH-RDJZCZTQSA-N 1 3 305.466 2.478 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[N@H+](C)[C@@H]1CCc2ccccc21)N(C)C ZINC001374534879 1157891098 /nfs/dbraw/zinc/89/10/98/1157891098.db2.gz RPEWVXWCEHRSNA-ZWKOTPCHSA-N 1 3 317.477 2.404 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)[C@@H]1CCc2ccccc21)N(C)C ZINC001374534879 1157891099 /nfs/dbraw/zinc/89/10/99/1157891099.db2.gz RPEWVXWCEHRSNA-ZWKOTPCHSA-N 1 3 317.477 2.404 20 0 DEADHO CCC1([NH2+]C/C=C/Cl)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001393680805 1157899796 /nfs/dbraw/zinc/89/97/96/1157899796.db2.gz UFDLVSPBPAQBND-RMKNXTFCSA-N 1 3 315.889 2.440 20 0 DEADHO Cc1cc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)cs1 ZINC001374767361 1158013949 /nfs/dbraw/zinc/01/39/49/1158013949.db2.gz ANNQHXDZEZAEPH-DOMZBBRYSA-N 1 3 311.495 2.237 20 0 DEADHO C[C@H](C[NH2+][C@@H](C)c1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001374769948 1158015160 /nfs/dbraw/zinc/01/51/60/1158015160.db2.gz FNRSBFQJGZGNCO-CABCVRRESA-N 1 3 303.450 2.326 20 0 DEADHO CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001375107471 1158322516 /nfs/dbraw/zinc/32/25/16/1158322516.db2.gz ZPYUSJJZQHXORA-CZUORRHYSA-N 1 3 301.450 2.045 20 0 DEADHO CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001375107471 1158322524 /nfs/dbraw/zinc/32/25/24/1158322524.db2.gz ZPYUSJJZQHXORA-CZUORRHYSA-N 1 3 301.450 2.045 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[N@H+](C)CCCC1CCC1 ZINC001394131663 1158323953 /nfs/dbraw/zinc/32/39/53/1158323953.db2.gz NJXWCPQGMDBVTO-ZDUSSCGKSA-N 1 3 306.454 2.277 20 0 DEADHO CC(C)[C@H](CCN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]CC1CC1 ZINC001394195522 1158360719 /nfs/dbraw/zinc/36/07/19/1158360719.db2.gz ZAQCBYZRMGPNIE-WBVHZDCISA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NCC2(NC/C=C\Cl)CC2)CC1 ZINC001375516649 1158796216 /nfs/dbraw/zinc/79/62/16/1158796216.db2.gz FATJDJCMQSUSRY-BAQGIRSFSA-N 1 3 313.873 2.098 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccccc2C)CC1)N(C)C ZINC001375522106 1158800889 /nfs/dbraw/zinc/80/08/89/1158800889.db2.gz PMBBUSFPPMNLLP-INIZCTEOSA-N 1 3 303.450 2.074 20 0 DEADHO CCCN(C)CC(=O)NC1(C2CC[NH+](CCC3CC3)CC2)CC1 ZINC001394858738 1158816615 /nfs/dbraw/zinc/81/66/15/1158816615.db2.gz DRBDLFQBNBWEDW-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)[NH+]1CCC(C2(NC(=O)CN(C)C3CCC3)CC2)CC1 ZINC001394863925 1158817899 /nfs/dbraw/zinc/81/78/99/1158817899.db2.gz WSUVJEYCSQHGGD-UHFFFAOYSA-N 1 3 307.482 2.240 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCN1CCC(F)(F)F ZINC001375612447 1158828876 /nfs/dbraw/zinc/82/88/76/1158828876.db2.gz BORXYPVGRSQENZ-QWHCGFSZSA-N 1 3 323.403 2.250 20 0 DEADHO CCCN(C)CC(=O)N1CCCCC[C@@H]([NH2+]C[C@@H](F)CC)C1 ZINC001375653768 1158839433 /nfs/dbraw/zinc/83/94/33/1158839433.db2.gz WACYVLYOBIGDEA-JKSUJKDBSA-N 1 3 315.477 2.437 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCC(F)(F)F)C[C@H]1C ZINC001375737168 1158857946 /nfs/dbraw/zinc/85/79/46/1158857946.db2.gz HSWDYHLIOQCXIN-OLZOCXBDSA-N 1 3 323.403 2.248 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@@H]1CCCN1C(=O)CN(C)CC(C)(C)C ZINC001375759821 1158863864 /nfs/dbraw/zinc/86/38/64/1158863864.db2.gz GXXPUMMJDODXCF-GJZGRUSLSA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@H]1CCCN1C(=O)CN(C)CC(C)(C)C ZINC001375759823 1158863994 /nfs/dbraw/zinc/86/39/94/1158863994.db2.gz GXXPUMMJDODXCF-LSDHHAIUSA-N 1 3 315.477 2.293 20 0 DEADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)NC[C@H](NCCF)C1CC1 ZINC001376225130 1159259582 /nfs/dbraw/zinc/25/95/82/1159259582.db2.gz DCDMELJOIUJXTC-HNNXBMFYSA-N 1 3 313.461 2.093 20 0 DEADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)NC[C@H](NCCF)C1CC1 ZINC001376225130 1159259590 /nfs/dbraw/zinc/25/95/90/1159259590.db2.gz DCDMELJOIUJXTC-HNNXBMFYSA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001376404847 1159391457 /nfs/dbraw/zinc/39/14/57/1159391457.db2.gz GGOREIAFGKCHGD-FRYAIAEPSA-N 1 3 315.461 2.277 20 0 DEADHO Cc1ccccc1C[NH2+][C@H](C)CCNC(=O)CN(C)C1CCC1 ZINC001377035487 1159882236 /nfs/dbraw/zinc/88/22/36/1159882236.db2.gz LUVKCUPKDCXAJW-MRXNPFEDSA-N 1 3 317.477 2.464 20 0 DEADHO CN(CCNC(=O)CCC[NH+](C)C)Cc1ccc2c(c1)CCC2 ZINC001403677630 1163086081 /nfs/dbraw/zinc/08/60/81/1163086081.db2.gz WONBBJYTBJDRMR-UHFFFAOYSA-N 1 3 317.477 2.065 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C[C@H]1CCN1CC1CC1)[NH+]1CCCCC1 ZINC001397579600 1160343551 /nfs/dbraw/zinc/34/35/51/1160343551.db2.gz NSGSBBSFMXIVHR-QZTJIDSGSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H](c1cccc(F)c1)N(C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001403736117 1163123513 /nfs/dbraw/zinc/12/35/13/1163123513.db2.gz PGXRFOSUYDYAOA-LSDHHAIUSA-N 1 3 321.440 2.277 20 0 DEADHO C[C@@H](c1cccc(F)c1)N(C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001403736117 1163123520 /nfs/dbraw/zinc/12/35/20/1163123520.db2.gz PGXRFOSUYDYAOA-LSDHHAIUSA-N 1 3 321.440 2.277 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC001398527191 1160948662 /nfs/dbraw/zinc/94/86/62/1160948662.db2.gz KLEWOGRZKSKTLT-WMZOPIPTSA-N 1 3 315.461 2.206 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2F)C1)N(C)C ZINC001398533453 1160952393 /nfs/dbraw/zinc/95/23/93/1160952393.db2.gz HLNGMZIONPMXAD-VMUDFCTBSA-N 1 3 321.440 2.464 20 0 DEADHO Cc1cccc(C[N@@H+](C)[C@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001378064203 1160977497 /nfs/dbraw/zinc/97/74/97/1160977497.db2.gz NCIRKHOKGHPIMJ-MRXNPFEDSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1cccc(C[N@H+](C)[C@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001378064203 1160977504 /nfs/dbraw/zinc/97/75/04/1160977504.db2.gz NCIRKHOKGHPIMJ-MRXNPFEDSA-N 1 3 317.477 2.416 20 0 DEADHO CC(C)[C@H](C(=O)N(C)[C@H]1CC[N@H+](CC2CCCC2)C1)N(C)C ZINC001378164706 1161069331 /nfs/dbraw/zinc/06/93/31/1161069331.db2.gz KEGCKXWGMWZUJA-DLBZAZTESA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CC2CCCC2)C1)N(C)C ZINC001378164706 1161069336 /nfs/dbraw/zinc/06/93/36/1161069336.db2.gz KEGCKXWGMWZUJA-DLBZAZTESA-N 1 3 309.498 2.296 20 0 DEADHO Cc1ccccc1[C@@H](C)[N@@H+](C)CCNC(=O)CN(C)C(C)C ZINC001399652094 1161503504 /nfs/dbraw/zinc/50/35/04/1161503504.db2.gz BRBWPIHZSKMFSJ-MRXNPFEDSA-N 1 3 305.466 2.444 20 0 DEADHO Cc1ccccc1[C@@H](C)[N@H+](C)CCNC(=O)CN(C)C(C)C ZINC001399652094 1161503510 /nfs/dbraw/zinc/50/35/10/1161503510.db2.gz BRBWPIHZSKMFSJ-MRXNPFEDSA-N 1 3 305.466 2.444 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CC[N@H+](CC2CCCCC2)C1)N(C)C ZINC001399916714 1161606647 /nfs/dbraw/zinc/60/66/47/1161606647.db2.gz RAOXNDKWILXWJC-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](CC2CCCCC2)C1)N(C)C ZINC001399916714 1161606649 /nfs/dbraw/zinc/60/66/49/1161606649.db2.gz RAOXNDKWILXWJC-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CCC2CCCC2)C1)N(C)C ZINC001399926080 1161609243 /nfs/dbraw/zinc/60/92/43/1161609243.db2.gz CBPMIAKRMXWCQJ-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCC2CCCC2)C1)N(C)C ZINC001399926080 1161609245 /nfs/dbraw/zinc/60/92/45/1161609245.db2.gz CBPMIAKRMXWCQJ-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)NCCC1CC[NH+](CC2CCC2)CC1)N(C)C ZINC001401083664 1161869149 /nfs/dbraw/zinc/86/91/49/1161869149.db2.gz ZSBYWMOTPHMFKY-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001401225695 1161898282 /nfs/dbraw/zinc/89/82/82/1161898282.db2.gz CLTKCCPJVBWQMK-NVXWUHKLSA-N 1 3 305.466 2.272 20 0 DEADHO C[C@H](CNCc1cncs1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001401650917 1162060152 /nfs/dbraw/zinc/06/01/52/1162060152.db2.gz IXEXPNOOHVLTLD-ZIAGYGMSSA-N 1 3 324.494 2.002 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(C)cc1 ZINC001401673624 1162069799 /nfs/dbraw/zinc/06/97/99/1162069799.db2.gz RQYLBOJNBHKQPS-SJLPKXTDSA-N 1 3 317.477 2.464 20 0 DEADHO CCc1ccc(C[NH2+]C[C@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001401684528 1162075351 /nfs/dbraw/zinc/07/53/51/1162075351.db2.gz DJFLPLJSRGGJKT-HNNXBMFYSA-N 1 3 317.477 2.328 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001401688069 1162076268 /nfs/dbraw/zinc/07/62/68/1162076268.db2.gz OGCVFDLSUTUQMB-MJBXVCDLSA-N 1 3 319.440 2.102 20 0 DEADHO Cc1cc(C)cc(CN2CC[C@@H]2CNC(=O)C[NH+]2CCCC2)c1 ZINC001401915424 1162180041 /nfs/dbraw/zinc/18/00/41/1162180041.db2.gz IRJLZGDFFLYACG-GOSISDBHSA-N 1 3 315.461 2.090 20 0 DEADHO CCCC[NH+]1CCC2(CCN(C(=O)CN(C)CCC)C2)CC1 ZINC001402000238 1162212628 /nfs/dbraw/zinc/21/26/28/1162212628.db2.gz FEJKBUGLQVAEFZ-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO C[C@@H](NCCN(C)C(=O)CC[NH+](C)C)c1ccc(F)c(F)c1 ZINC001404327362 1163588245 /nfs/dbraw/zinc/58/82/45/1163588245.db2.gz PPRGYSIQLAYCLG-GFCCVEGCSA-N 1 3 313.392 2.026 20 0 DEADHO C[C@@H](C[NH2+]CC1CCCCCC1)N(C)C(=O)CN1CCCC1 ZINC001405879461 1164307639 /nfs/dbraw/zinc/30/76/39/1164307639.db2.gz AKUYELQZSFUFGZ-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC2CCCC2)[C@H](C)C1 ZINC001405985321 1164372058 /nfs/dbraw/zinc/37/20/58/1164372058.db2.gz XCGGGEINOJAWCF-WBVHZDCISA-N 1 3 309.498 2.343 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC(CC[N@H+](C)CC)CC1 ZINC001406004764 1164382653 /nfs/dbraw/zinc/38/26/53/1164382653.db2.gz ONAAYSUNUGVSEV-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)CC)CC1 ZINC001406004764 1164382657 /nfs/dbraw/zinc/38/26/57/1164382657.db2.gz ONAAYSUNUGVSEV-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CNCc1ccns1 ZINC001406413965 1164580005 /nfs/dbraw/zinc/58/00/05/1164580005.db2.gz VGIBIQKIDVYLNY-UKRRQHHQSA-N 1 3 324.494 2.000 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CNCc1ccns1 ZINC001406413965 1164580022 /nfs/dbraw/zinc/58/00/22/1164580022.db2.gz VGIBIQKIDVYLNY-UKRRQHHQSA-N 1 3 324.494 2.000 20 0 DEADHO Cc1cccc(C)c1C[NH2+]C[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001406524295 1164656313 /nfs/dbraw/zinc/65/63/13/1164656313.db2.gz VMSSKXDFFFXRKC-PBHICJAKSA-N 1 3 317.477 2.240 20 0 DEADHO CC1CC(C[NH2+]C[C@@H](NC(=O)CN(C)CC(C)(C)C)C2CC2)C1 ZINC001406792336 1164830865 /nfs/dbraw/zinc/83/08/65/1164830865.db2.gz LJESSLDYEXJHHC-VMBOVVBDSA-N 1 3 323.525 2.495 20 0 DEADHO CC[C@H](F)CNC1(CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001407010016 1164922427 /nfs/dbraw/zinc/92/24/27/1164922427.db2.gz QPWAEINXKJHNBT-INIZCTEOSA-N 1 3 321.440 2.348 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccsc2)C1)N(C)C ZINC001407225431 1165053680 /nfs/dbraw/zinc/05/36/80/1165053680.db2.gz JAUIFSCWGYUPAB-WBVHZDCISA-N 1 3 323.506 2.417 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CC2CCC2)C3)CCC1 ZINC001407468638 1165159717 /nfs/dbraw/zinc/15/97/17/1165159717.db2.gz DKAJUWFQBDREKK-ULQDDVLXSA-N 1 3 319.493 2.240 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC2CCC2)C3)CCC1 ZINC001407468638 1165159720 /nfs/dbraw/zinc/15/97/20/1165159720.db2.gz DKAJUWFQBDREKK-ULQDDVLXSA-N 1 3 319.493 2.240 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CCC(F)(F)F)CC1)N(C)C ZINC001407846382 1165341929 /nfs/dbraw/zinc/34/19/29/1165341929.db2.gz HJPGLBOGZZAVGR-CHWSQXEVSA-N 1 3 323.403 2.250 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001408080505 1165467402 /nfs/dbraw/zinc/46/74/02/1165467402.db2.gz CJCJRDPALAFRDN-HIFRSBDPSA-N 1 3 309.479 2.025 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCc2cccs2)[C@@H](C)C1 ZINC001408113047 1165482809 /nfs/dbraw/zinc/48/28/09/1165482809.db2.gz YLOLDBCZJPUPCP-HOCLYGCPSA-N 1 3 323.506 2.069 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)CCN1Cc1ccc(F)cc1 ZINC001408181829 1165520950 /nfs/dbraw/zinc/52/09/50/1165520950.db2.gz KVZJZJZTOYAAIV-PBHICJAKSA-N 1 3 321.440 2.247 20 0 DEADHO C[C@@H](F)CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001408353349 1165607906 /nfs/dbraw/zinc/60/79/06/1165607906.db2.gz VOYSTOIPCXXNDJ-CABCVRRESA-N 1 3 313.461 2.142 20 0 DEADHO C[C@@H](F)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001408353349 1165607909 /nfs/dbraw/zinc/60/79/09/1165607909.db2.gz VOYSTOIPCXXNDJ-CABCVRRESA-N 1 3 313.461 2.142 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001417810496 1167229261 /nfs/dbraw/zinc/22/92/61/1167229261.db2.gz AUSVTEPNKZMREX-DLBZAZTESA-N 1 3 309.498 2.391 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]C/C=C/Cl ZINC001417892645 1167287407 /nfs/dbraw/zinc/28/74/07/1167287407.db2.gz QMLBKRIQFSWBLD-LPXAQJHASA-N 1 3 315.889 2.440 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H](C[N@H+](C)CCC2CC2)C1 ZINC001418019122 1167365573 /nfs/dbraw/zinc/36/55/73/1167365573.db2.gz GCJZGFZBNVXWNF-KRWDZBQOSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H](C[N@@H+](C)CCC2CC2)C1 ZINC001418019122 1167365577 /nfs/dbraw/zinc/36/55/77/1167365577.db2.gz GCJZGFZBNVXWNF-KRWDZBQOSA-N 1 3 309.498 2.299 20 0 DEADHO Cc1cc(C)cc(C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001418238516 1167510157 /nfs/dbraw/zinc/51/01/57/1167510157.db2.gz KLRFNAZUEVVQAV-AEFFLSMTSA-N 1 3 319.493 2.484 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1cc(C)ccc1C)N(C)C ZINC001418238982 1167511467 /nfs/dbraw/zinc/51/14/67/1167511467.db2.gz UIJVTCKKQYCAAN-DOTOQJQBSA-N 1 3 305.466 2.238 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]C/C=C/Cl)C1 ZINC001418357071 1167594226 /nfs/dbraw/zinc/59/42/26/1167594226.db2.gz JVAGHWVZNJSRLK-VTDTZARESA-N 1 3 301.862 2.096 20 0 DEADHO CCC(CC)C[N@@H+]1CC[C@@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001418688072 1167887780 /nfs/dbraw/zinc/88/77/80/1167887780.db2.gz JZZPAXLXYLHBME-HNNXBMFYSA-N 1 3 306.454 2.135 20 0 DEADHO CCC(CC)C[N@H+]1CC[C@@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001418688072 1167887782 /nfs/dbraw/zinc/88/77/82/1167887782.db2.gz JZZPAXLXYLHBME-HNNXBMFYSA-N 1 3 306.454 2.135 20 0 DEADHO CC(C)CC[NH2+][C@H]1C[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001418697741 1167893126 /nfs/dbraw/zinc/89/31/26/1167893126.db2.gz LVOLJPHJRLRCCG-WKILWMFISA-N 1 3 311.514 2.495 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1)N(C)C ZINC001418960552 1168099007 /nfs/dbraw/zinc/09/90/07/1168099007.db2.gz VMAIFABTSLWTIY-IAGOWNOFSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1)N(C)C ZINC001418960552 1168099011 /nfs/dbraw/zinc/09/90/11/1168099011.db2.gz VMAIFABTSLWTIY-IAGOWNOFSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@H](C(=O)NC[C@H]([NH2+]Cc1ccsc1)C1CC1)N(C)C ZINC001419269496 1168363132 /nfs/dbraw/zinc/36/31/32/1168363132.db2.gz GHOCLEWYFHVAIR-LSDHHAIUSA-N 1 3 309.479 2.073 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H](C[N@H+](C)CC[C@H](C)F)C1 ZINC001419353166 1168414238 /nfs/dbraw/zinc/41/42/38/1168414238.db2.gz YKPGEQLWVOODIQ-JKSUJKDBSA-N 1 3 315.477 2.247 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H](C[N@@H+](C)CC[C@H](C)F)C1 ZINC001419353166 1168414241 /nfs/dbraw/zinc/41/42/41/1168414241.db2.gz YKPGEQLWVOODIQ-JKSUJKDBSA-N 1 3 315.477 2.247 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC001419521224 1168570030 /nfs/dbraw/zinc/57/00/30/1168570030.db2.gz TUFQACCSTJOUHX-JZXOWHBKSA-N 1 3 315.461 2.251 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1c(C)cccc1C)N(C)C ZINC001419527910 1168575632 /nfs/dbraw/zinc/57/56/32/1168575632.db2.gz KERFYNFYXUQNPL-KDOFPFPSSA-N 1 3 319.493 2.486 20 0 DEADHO C[C@H](C[NH2+]CC1CCCCC1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001419714483 1168815784 /nfs/dbraw/zinc/81/57/84/1168815784.db2.gz GDXANZCMFUWVKL-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1cccc(C)c1 ZINC001420240928 1169272715 /nfs/dbraw/zinc/27/27/15/1169272715.db2.gz SXHTYBIMURCXBN-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1cccc(C)c1 ZINC001420240928 1169272725 /nfs/dbraw/zinc/27/27/25/1169272725.db2.gz SXHTYBIMURCXBN-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CN(CCNC(=O)CCC[NH+](C)C)[C@@H]1CCc2c1cccc2F ZINC001420294111 1169329258 /nfs/dbraw/zinc/32/92/58/1169329258.db2.gz NSQDUUAHNRDHOI-QGZVFWFLSA-N 1 3 321.440 2.203 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCc2c1cccc2F)N(C)C ZINC001420339523 1169376799 /nfs/dbraw/zinc/37/67/99/1169376799.db2.gz DOIXKDBSDHGUBZ-DQYPLSBCSA-N 1 3 321.440 2.248 20 0 DEADHO C[C@@H](C[NH2+]Cc1ccc(Cl)cc1)NC(=O)CN1CC[C@@H](C)C1 ZINC001420467392 1169605399 /nfs/dbraw/zinc/60/53/99/1169605399.db2.gz HLKZLNFVBMKAPO-KGLIPLIRSA-N 1 3 323.868 2.276 20 0 DEADHO CC[NH2+][C@@H](CNC(=O)[C@H]1CCCN1C(C)C)c1ccccc1 ZINC001420758722 1171119289 /nfs/dbraw/zinc/11/92/89/1171119289.db2.gz FOXNGFBGXRXRKV-DLBZAZTESA-N 1 3 303.450 2.326 20 0 DEADHO CC(C)CCCN1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001420838967 1171250631 /nfs/dbraw/zinc/25/06/31/1171250631.db2.gz YXGOLXMIWZPYLU-SJORKVTESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CCCN1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001420838967 1171250660 /nfs/dbraw/zinc/25/06/60/1171250660.db2.gz YXGOLXMIWZPYLU-SJORKVTESA-N 1 3 309.498 2.486 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CCC2CC2)C1 ZINC001420942837 1171368258 /nfs/dbraw/zinc/36/82/58/1171368258.db2.gz BCNOKDXBPFAPOO-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCC2CC2)C1 ZINC001420942837 1171368263 /nfs/dbraw/zinc/36/82/63/1171368263.db2.gz BCNOKDXBPFAPOO-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO CN(CCC[N@H+](C)CCc1ccccc1)C(=O)[C@@H]1CCCN1C ZINC001421838178 1172033526 /nfs/dbraw/zinc/03/35/26/1172033526.db2.gz GXQNXQJJLOQZJJ-SFHVURJKSA-N 1 3 317.477 2.104 20 0 DEADHO CN(CCC[N@@H+](C)CCc1ccccc1)C(=O)[C@@H]1CCCN1C ZINC001421838178 1172033531 /nfs/dbraw/zinc/03/35/31/1172033531.db2.gz GXQNXQJJLOQZJJ-SFHVURJKSA-N 1 3 317.477 2.104 20 0 DEADHO CCc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1 ZINC001421992126 1172215936 /nfs/dbraw/zinc/21/59/36/1172215936.db2.gz KSLHRLIVKFJUNT-INIZCTEOSA-N 1 3 317.477 2.281 20 0 DEADHO CC[N@H+](C)CCC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001422062603 1172266485 /nfs/dbraw/zinc/26/64/85/1172266485.db2.gz NIKGKIQONNDTPY-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CC[N@@H+](C)CCC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001422062603 1172266493 /nfs/dbraw/zinc/26/64/93/1172266493.db2.gz NIKGKIQONNDTPY-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO C[C@H](CN1CCOCC1)N1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001422162665 1172361313 /nfs/dbraw/zinc/36/13/13/1172361313.db2.gz ZLPXZZYJAXCWHA-MOPGFXCFSA-N 1 3 323.525 2.294 20 0 DEADHO CC(C)N1CCc2ccccc2[C@H]1CNC(=O)CC[NH+](C)C ZINC001422178691 1172374785 /nfs/dbraw/zinc/37/47/85/1172374785.db2.gz PAYMVKUNPCEIGY-QGZVFWFLSA-N 1 3 303.450 2.062 20 0 DEADHO C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)[C@H](C)NCCF ZINC001422353278 1172510728 /nfs/dbraw/zinc/51/07/28/1172510728.db2.gz KOMBJHXPZXUZLI-UONOGXRCSA-N 1 3 301.450 2.093 20 0 DEADHO C[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)[C@H](C)NCCF ZINC001422353278 1172510734 /nfs/dbraw/zinc/51/07/34/1172510734.db2.gz KOMBJHXPZXUZLI-UONOGXRCSA-N 1 3 301.450 2.093 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C1C[NH+](CCc2ccccc2)C1 ZINC001422750936 1172842684 /nfs/dbraw/zinc/84/26/84/1172842684.db2.gz AGWBJOMKFCEYBK-INIZCTEOSA-N 1 3 317.477 2.007 20 0 DEADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3ccc4c(c3)CCC(=O)N4C)[C@H]2C1 ZINC001422975374 1172990380 /nfs/dbraw/zinc/99/03/80/1172990380.db2.gz WQYPSGIRLJFSMN-ULQDDVLXSA-N 1 3 313.445 2.025 20 0 DEADHO C[C@H](C(=O)NCC1([NH2+]CC[C@H](C)F)CC1)N1CCCCCC1 ZINC001423287889 1173207695 /nfs/dbraw/zinc/20/76/95/1173207695.db2.gz PXOOASQQUZOAGV-LSDHHAIUSA-N 1 3 313.461 2.237 20 0 DEADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001423680719 1173487240 /nfs/dbraw/zinc/48/72/40/1173487240.db2.gz FFEJLMOHXUACMF-JCYILVPMSA-N 1 3 321.440 2.245 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC001423943619 1173585662 /nfs/dbraw/zinc/58/56/62/1173585662.db2.gz CXJMOABNVXYMER-ZBFHGGJFSA-N 1 3 323.506 2.274 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[N@@H+](CC[C@@H](C)F)CC1 ZINC001424275980 1173733490 /nfs/dbraw/zinc/73/34/90/1173733490.db2.gz GTZMISIMANAMEF-HUUCEWRRSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[N@H+](CC[C@@H](C)F)CC1 ZINC001424275980 1173733495 /nfs/dbraw/zinc/73/34/95/1173733495.db2.gz GTZMISIMANAMEF-HUUCEWRRSA-N 1 3 301.450 2.045 20 0 DEADHO CC[C@H](C(=O)N(C)CCC[N@H+](C)CC1CC(F)(F)C1)N(C)C ZINC001424325185 1173761140 /nfs/dbraw/zinc/76/11/40/1173761140.db2.gz GWKIPEUFIKFBKB-CQSZACIVSA-N 1 3 319.440 2.152 20 0 DEADHO CC[C@H](C(=O)N(C)CCC[N@@H+](C)CC1CC(F)(F)C1)N(C)C ZINC001424325185 1173761143 /nfs/dbraw/zinc/76/11/43/1173761143.db2.gz GWKIPEUFIKFBKB-CQSZACIVSA-N 1 3 319.440 2.152 20 0 DEADHO CCC1([NH2+]C/C=C/Cl)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001424375378 1173774221 /nfs/dbraw/zinc/77/42/21/1173774221.db2.gz HAFPFDQVVAQUEF-ZZXKWVIFSA-N 1 3 310.829 2.066 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CCC(C)(C)C ZINC001424486602 1173807138 /nfs/dbraw/zinc/80/71/38/1173807138.db2.gz TZSLOJMABIFHTH-ZBFHGGJFSA-N 1 3 309.498 2.343 20 0 DEADHO CN(Cc1ccc(F)cc1)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001424721112 1173887048 /nfs/dbraw/zinc/88/70/48/1173887048.db2.gz UWHKUWMVPAFNFH-KRWDZBQOSA-N 1 3 321.440 2.200 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC([N@H+](C)CC[C@@H](C)F)CC1)N(C)C ZINC001425439479 1174321772 /nfs/dbraw/zinc/32/17/72/1174321772.db2.gz GHGYRJQPCXFBRT-GDBMZVCRSA-N 1 3 315.477 2.244 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC([N@@H+](C)CC[C@@H](C)F)CC1)N(C)C ZINC001425439479 1174321776 /nfs/dbraw/zinc/32/17/76/1174321776.db2.gz GHGYRJQPCXFBRT-GDBMZVCRSA-N 1 3 315.477 2.244 20 0 DEADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC001425682502 1174457352 /nfs/dbraw/zinc/45/73/52/1174457352.db2.gz PLYDVWCKLPNHIL-CRAIPNDOSA-N 1 3 317.477 2.452 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC2CCCCC2)[C@H]1C ZINC001425899743 1174504881 /nfs/dbraw/zinc/50/48/81/1174504881.db2.gz QNOSAYDHGWMTBQ-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]21 ZINC001425917645 1174511902 /nfs/dbraw/zinc/51/19/02/1174511902.db2.gz IORRPIYTZODKSM-ARFHVFGLSA-N 1 3 309.498 2.201 20 0 DEADHO CCc1cc(N[C@@H](C)C[N@H+](C)CCCN(C)C)nc(CC)n1 ZINC001434447792 1178567616 /nfs/dbraw/zinc/56/76/16/1178567616.db2.gz AQVBEIGJSZRQIM-AWEZNQCLSA-N 1 3 307.486 2.285 20 0 DEADHO CCc1cc(N[C@@H](C)C[N@@H+](C)CCCN(C)C)nc(CC)n1 ZINC001434447792 1178567631 /nfs/dbraw/zinc/56/76/31/1178567631.db2.gz AQVBEIGJSZRQIM-AWEZNQCLSA-N 1 3 307.486 2.285 20 0 DEADHO CCN1CCC(C[N@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)CC1 ZINC001434519606 1178744391 /nfs/dbraw/zinc/74/43/91/1178744391.db2.gz GTPHFNFNBYCXDU-HZPDHXFCSA-N 1 3 316.511 2.006 20 0 DEADHO CCN1CCC(C[N@@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)CC1 ZINC001434519606 1178744413 /nfs/dbraw/zinc/74/44/13/1178744413.db2.gz GTPHFNFNBYCXDU-HZPDHXFCSA-N 1 3 316.511 2.006 20 0 DEADHO C[C@@H]1C[C@@H](C[NH2+]C2CCC(C)(N3CCOCC3)CC2)[C@@H](C)O1 ZINC001434533345 1178796245 /nfs/dbraw/zinc/79/62/45/1178796245.db2.gz PRMKWXFDDARVDQ-ZGOKBZQCSA-N 1 3 310.482 2.423 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@@H+](CC3CC(C)C3)CC[C@@H]2C1 ZINC001436460862 1179114323 /nfs/dbraw/zinc/11/43/23/1179114323.db2.gz OUXZVPXAOKDXDI-HIEASXQVSA-N 1 3 321.509 2.153 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@H+](CC3CC(C)C3)CC[C@@H]2C1 ZINC001436460862 1179114331 /nfs/dbraw/zinc/11/43/31/1179114331.db2.gz OUXZVPXAOKDXDI-HIEASXQVSA-N 1 3 321.509 2.153 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCCC[C@H]([NH2+]C/C=C/Cl)C1 ZINC001436472048 1179124644 /nfs/dbraw/zinc/12/46/44/1179124644.db2.gz ODTGNDAKQORJSH-HEWZJLJBSA-N 1 3 315.889 2.440 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]([NH2+]Cc1ccccc1F)C1CC1 ZINC001436834096 1179270781 /nfs/dbraw/zinc/27/07/81/1179270781.db2.gz QJEFUFQKOYOSOD-QGZVFWFLSA-N 1 3 321.440 2.150 20 0 DEADHO CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001436836681 1179271464 /nfs/dbraw/zinc/27/14/64/1179271464.db2.gz GAXRTBDJGUBLJH-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001436836681 1179271472 /nfs/dbraw/zinc/27/14/72/1179271472.db2.gz GAXRTBDJGUBLJH-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@@H](C[N@H+](C)CCC3CC3)C2)CCC1 ZINC001436844770 1179277243 /nfs/dbraw/zinc/27/72/43/1179277243.db2.gz RWQBGSCTEJBUCH-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@@H](C[N@@H+](C)CCC3CC3)C2)CCC1 ZINC001436844770 1179277252 /nfs/dbraw/zinc/27/72/52/1179277252.db2.gz RWQBGSCTEJBUCH-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CN(CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)Cc1ccccc1 ZINC001437542787 1179841115 /nfs/dbraw/zinc/84/11/15/1179841115.db2.gz VDLAYLQOTWLFIE-QZTJIDSGSA-N 1 3 317.477 2.355 20 0 DEADHO CC[N@H+](CCNC(=O)[C@H]1CCCCN1C(C)C)CC1CCC1 ZINC001437626296 1179868664 /nfs/dbraw/zinc/86/86/64/1179868664.db2.gz SLWYJVXHOPOTPC-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@@H+](CCNC(=O)[C@H]1CCCCN1C(C)C)CC1CCC1 ZINC001437626296 1179868670 /nfs/dbraw/zinc/86/86/70/1179868670.db2.gz SLWYJVXHOPOTPC-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccc(F)cc1C ZINC001437648901 1179875830 /nfs/dbraw/zinc/87/58/30/1179875830.db2.gz VPWJEYIANLDKQX-MRXNPFEDSA-N 1 3 321.440 2.024 20 0 DEADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccc(F)cc1C ZINC001437648901 1179875831 /nfs/dbraw/zinc/87/58/31/1179875831.db2.gz VPWJEYIANLDKQX-MRXNPFEDSA-N 1 3 321.440 2.024 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CC[N@H+](CCCF)C1)N1CCCCC1 ZINC001437711330 1179896800 /nfs/dbraw/zinc/89/68/00/1179896800.db2.gz ZZGGYRYQDOQNHG-HNNXBMFYSA-N 1 3 313.461 2.049 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CC[N@@H+](CCCF)C1)N1CCCCC1 ZINC001437711330 1179896803 /nfs/dbraw/zinc/89/68/03/1179896803.db2.gz ZZGGYRYQDOQNHG-HNNXBMFYSA-N 1 3 313.461 2.049 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001437851417 1180029835 /nfs/dbraw/zinc/02/98/35/1180029835.db2.gz HAERNHRHTBXUHS-AWEZNQCLSA-N 1 3 309.429 2.277 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@H]1CC[N@H+](C/C=C\Cl)C1)N(C)C ZINC001437929823 1180086795 /nfs/dbraw/zinc/08/67/95/1180086795.db2.gz ITXSFYLWNVBKLP-PYMSSDGJSA-N 1 3 315.889 2.153 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@H]1CC[N@@H+](C/C=C\Cl)C1)N(C)C ZINC001437929823 1180086800 /nfs/dbraw/zinc/08/68/00/1180086800.db2.gz ITXSFYLWNVBKLP-PYMSSDGJSA-N 1 3 315.889 2.153 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCC2CCCC2)C1 ZINC001437973924 1180117388 /nfs/dbraw/zinc/11/73/88/1180117388.db2.gz HDKUIKLYTAYJDD-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCC2CCCC2)C1 ZINC001437973924 1180117389 /nfs/dbraw/zinc/11/73/89/1180117389.db2.gz HDKUIKLYTAYJDD-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO CN(CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC1CC1)CC(C)(C)C ZINC001438961635 1180865152 /nfs/dbraw/zinc/86/51/52/1180865152.db2.gz LOXYBQTVUATSDS-CVEARBPZSA-N 1 3 309.498 2.249 20 0 DEADHO Cc1cc(C)cc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001439152762 1180899152 /nfs/dbraw/zinc/89/91/52/1180899152.db2.gz PQSKLVYEMFTEJB-AEFFLSMTSA-N 1 3 319.493 2.484 20 0 DEADHO C[C@H](CN(C)Cc1ccc(F)cc1)NC(=O)C1CC[NH+](C)CC1 ZINC001439361489 1181044238 /nfs/dbraw/zinc/04/42/38/1181044238.db2.gz HROFXMMSQCVXOT-CQSZACIVSA-N 1 3 321.440 2.104 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN1[C@@H]1CCc2ccccc21 ZINC001439558057 1181142557 /nfs/dbraw/zinc/14/25/57/1181142557.db2.gz DJEZXFOKWUAYCT-SJLPKXTDSA-N 1 3 315.461 2.206 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN1[C@@H]1CCc2ccccc21 ZINC001439558057 1181142559 /nfs/dbraw/zinc/14/25/59/1181142559.db2.gz DJEZXFOKWUAYCT-SJLPKXTDSA-N 1 3 315.461 2.206 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCN1CCCC1CCC1)[NH+](C)C ZINC001439558468 1181142697 /nfs/dbraw/zinc/14/26/97/1181142697.db2.gz ACRFDLBJDYIPBU-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO C[NH+](C)CCC(=O)NCC1(N[C@H]2CCc3ccc(F)cc32)CC1 ZINC001439641017 1181181966 /nfs/dbraw/zinc/18/19/66/1181181966.db2.gz LSCLHAXIYBFPGU-INIZCTEOSA-N 1 3 319.424 2.003 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C/C=C/Cl)C1 ZINC001440363679 1181465788 /nfs/dbraw/zinc/46/57/88/1181465788.db2.gz UGRWOVITTSQJIA-SQVJTMBNSA-N 1 3 313.873 2.098 20 0 DEADHO CC(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001440523868 1181580515 /nfs/dbraw/zinc/58/05/15/1181580515.db2.gz YQKNWAQHDQFPEI-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001440523868 1181580527 /nfs/dbraw/zinc/58/05/27/1181580527.db2.gz YQKNWAQHDQFPEI-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CCCN(C)CC(=O)NC1CC(C[NH2+]Cc2ccccc2F)C1 ZINC001440761395 1181678113 /nfs/dbraw/zinc/67/81/13/1181678113.db2.gz PPEVGWVGSAZBPC-UHFFFAOYSA-N 1 3 321.440 2.152 20 0 DEADHO CN(CC(C)(C)C[NH2+]CC1CC(C)(C)C1)C(=O)Cc1c[nH]cn1 ZINC001440884925 1181741694 /nfs/dbraw/zinc/74/16/94/1181741694.db2.gz ZWEZAKLZDXPBGB-UHFFFAOYSA-N 1 3 320.481 2.463 20 0 DEADHO CCc1cccc(CN(C)[C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001441014579 1181826114 /nfs/dbraw/zinc/82/61/14/1181826114.db2.gz SOUYMOPTRRZTJA-YJBOKZPZSA-N 1 3 317.477 2.137 20 0 DEADHO CCc1cccc(CN(C)[C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001441014579 1181826117 /nfs/dbraw/zinc/82/61/17/1181826117.db2.gz SOUYMOPTRRZTJA-YJBOKZPZSA-N 1 3 317.477 2.137 20 0 DEADHO CN(CC(=O)N(C)C1CC[NH+](CC2CC2)CC1)CC(C)(C)C ZINC001441017600 1181827063 /nfs/dbraw/zinc/82/70/63/1181827063.db2.gz YLJFCVPVCXYJHF-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](F)CN(C)C[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001441304060 1181938805 /nfs/dbraw/zinc/93/88/05/1181938805.db2.gz SJBHVEZRWZYJFB-CVEARBPZSA-N 1 3 315.477 2.247 20 0 DEADHO CC[C@H](F)CN(C)C[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001441304060 1181938813 /nfs/dbraw/zinc/93/88/13/1181938813.db2.gz SJBHVEZRWZYJFB-CVEARBPZSA-N 1 3 315.477 2.247 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001441363626 1181957840 /nfs/dbraw/zinc/95/78/40/1181957840.db2.gz DJDYZRJZUKLOCC-SAABIXHNSA-N 1 3 317.477 2.320 20 0 DEADHO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1)c1ccccc1 ZINC001441483958 1182017790 /nfs/dbraw/zinc/01/77/90/1182017790.db2.gz CKPIQBPIEJDKOJ-OIISXLGYSA-N 1 3 315.461 2.469 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)C[NH+]1CCCCC1 ZINC001441921325 1182251036 /nfs/dbraw/zinc/25/10/36/1182251036.db2.gz YNPIDGFNPNKYAN-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccns2)C1 ZINC001442198509 1182362408 /nfs/dbraw/zinc/36/24/08/1182362408.db2.gz GLPSNMNAQPZWQL-KGLIPLIRSA-N 1 3 324.494 2.002 20 0 DEADHO C[C@H](F)CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001442888795 1182769402 /nfs/dbraw/zinc/76/94/02/1182769402.db2.gz QECKJZVJMSKMOV-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H](F)CC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001442888795 1182769412 /nfs/dbraw/zinc/76/94/12/1182769412.db2.gz QECKJZVJMSKMOV-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO CCC[N@H+](CCNC(=O)[C@H]1CCCCN1C(C)C)CC1CC1 ZINC001442967615 1182814477 /nfs/dbraw/zinc/81/44/77/1182814477.db2.gz STHJHHQGLYSGEK-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@@H+](CCNC(=O)[C@H]1CCCCN1C(C)C)CC1CC1 ZINC001442967615 1182814479 /nfs/dbraw/zinc/81/44/79/1182814479.db2.gz STHJHHQGLYSGEK-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1C[NH+](CC2CCCCCC2)C1 ZINC001443638821 1183064998 /nfs/dbraw/zinc/06/49/98/1183064998.db2.gz VHNLALYIHTXXOD-UHFFFAOYSA-N 1 3 318.465 2.279 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCC(F)(F)F)[C@@H](C)C1 ZINC001444792991 1183556248 /nfs/dbraw/zinc/55/62/48/1183556248.db2.gz RWRNJXMIUVZSCG-STQMWFEESA-N 1 3 323.403 2.107 20 0 DEADHO Cc1ccccc1CN(C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001445025460 1183720914 /nfs/dbraw/zinc/72/09/14/1183720914.db2.gz BVEAKEYMAFXKJW-UHFFFAOYSA-N 1 3 317.477 2.227 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@H+](C[C@@H](F)CC)CC1 ZINC001447322326 1184723440 /nfs/dbraw/zinc/72/34/40/1184723440.db2.gz QVZTTWBUTPCPIJ-LSDHHAIUSA-N 1 3 301.450 2.047 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](F)CC)CC1 ZINC001447322326 1184723444 /nfs/dbraw/zinc/72/34/44/1184723444.db2.gz QVZTTWBUTPCPIJ-LSDHHAIUSA-N 1 3 301.450 2.047 20 0 DEADHO CC(C)[NH+]1CC([C@@H](C)NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001448319400 1185161611 /nfs/dbraw/zinc/16/16/11/1185161611.db2.gz LVTYRFMBAOJKJW-CXAGYDPISA-N 1 3 313.461 2.044 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(C)cc2)C[C@H]1C ZINC001449008328 1185483416 /nfs/dbraw/zinc/48/34/16/1185483416.db2.gz IOOZEKGJUSXIBZ-AEFFLSMTSA-N 1 3 317.477 2.416 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(C)cc2)C[C@@H]1C ZINC001449008342 1185484006 /nfs/dbraw/zinc/48/40/06/1185484006.db2.gz IOOZEKGJUSXIBZ-WMZOPIPTSA-N 1 3 317.477 2.416 20 0 DEADHO C[C@H]1C[C@H](NCc2ccsc2)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001449027067 1185495997 /nfs/dbraw/zinc/49/59/97/1185495997.db2.gz NKLXOFVDCDGPRO-ZFWWWQNUSA-N 1 3 321.490 2.169 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2)C1 ZINC001449062661 1185514599 /nfs/dbraw/zinc/51/45/99/1185514599.db2.gz NLOWICGWZYFDAE-ROUUACIJSA-N 1 3 317.477 2.401 20 0 DEADHO CC[C@H](F)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC001449071599 1185517732 /nfs/dbraw/zinc/51/77/32/1185517732.db2.gz FSKWVOLRDWSUJU-DZGCQCFKSA-N 1 3 313.461 2.045 20 0 DEADHO CC[C@H](C(=O)N(C)C1CC([NH2+]CCC2CCCC2)C1)N(C)C ZINC001449405532 1185703631 /nfs/dbraw/zinc/70/36/31/1185703631.db2.gz WQMVVDRWUALVLG-OFLPRAFFSA-N 1 3 309.498 2.486 20 0 DEADHO CN(C)Cc1ccnc(N2C[C@@H]3[NH2+]Cc4ccccc4[C@H]3C2)c1 ZINC001164423993 718946756 /nfs/dbraw/zinc/94/67/56/718946756.db2.gz LLQHTXLUZHZDBX-MSOLQXFVSA-N 1 3 308.429 2.219 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CC1CCC1)N(C)C ZINC001089226056 782293362 /nfs/dbraw/zinc/29/33/62/782293362.db2.gz RXOLFFNCNQJYDG-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CCC1)N(C)C ZINC001089226056 782293370 /nfs/dbraw/zinc/29/33/70/782293370.db2.gz RXOLFFNCNQJYDG-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)[N@H+](C)C[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001089245914 782314227 /nfs/dbraw/zinc/31/42/27/782314227.db2.gz OMIWYSSFNPLZHB-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001089245914 782314236 /nfs/dbraw/zinc/31/42/36/782314236.db2.gz OMIWYSSFNPLZHB-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CCCCC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001106666302 782840127 /nfs/dbraw/zinc/84/01/27/782840127.db2.gz JQTKEJCEWGQDNV-BRWVUGGUSA-N 1 3 309.498 2.203 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001208454598 776593208 /nfs/dbraw/zinc/59/32/08/776593208.db2.gz YWPPKAWWZINXBR-KGLIPLIRSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)=CC[NH2+]CC1(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001167225704 776781496 /nfs/dbraw/zinc/78/14/96/776781496.db2.gz XYGXMOBUZPYLJZ-INIZCTEOSA-N 1 3 307.482 2.313 20 0 DEADHO CC(C)CC[NH2+]CC1(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001167232681 776786134 /nfs/dbraw/zinc/78/61/34/776786134.db2.gz MGCLKZQJNHGMOW-INIZCTEOSA-N 1 3 309.498 2.250 20 0 DEADHO CC(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001104291949 776949485 /nfs/dbraw/zinc/94/94/85/776949485.db2.gz AVCYDUDPKUSXGP-NXHRZFHOSA-N 1 3 323.525 2.447 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CCC1)N(C)C ZINC001087181584 777221533 /nfs/dbraw/zinc/22/15/33/777221533.db2.gz YRMRHTZHGPWPHI-HYVNUMGLSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+]C/C=C\Cl ZINC001167633448 777410405 /nfs/dbraw/zinc/41/04/05/777410405.db2.gz CMZJUFBJZXVHBN-BMWLXYDHSA-N 1 3 301.862 2.098 20 0 DEADHO CC(C)CC[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001104681839 778020009 /nfs/dbraw/zinc/02/00/09/778020009.db2.gz RJBJPMCVDJKBMT-KZNAEPCWSA-N 1 3 323.525 2.449 20 0 DEADHO CCCN(C)CC(=O)NCCC1(C[NH2+]CC2CC(C)C2)CC1 ZINC001167836576 778694182 /nfs/dbraw/zinc/69/41/82/778694182.db2.gz ZSVILXBQKMTVTD-UHFFFAOYSA-N 1 3 309.498 2.250 20 0 DEADHO CCOC(=O)[C@@H]1CN([C@H](C)CCC[NH+](CC)CC)CCS1 ZINC001167840131 778699251 /nfs/dbraw/zinc/69/92/51/778699251.db2.gz DYRSVXOILNEMRR-CABCVRRESA-N 1 3 316.511 2.477 20 0 DEADHO CSc1nc2ccnc(NC(=N)NCCCC[NH3+])c2s1 ZINC001167878807 778742365 /nfs/dbraw/zinc/74/23/65/778742365.db2.gz DUQPSXJADGUYOU-UHFFFAOYSA-N 1 3 310.452 2.088 20 0 DEADHO Cc1cc2nc(Cl)nc(NC(=N)NCCCC[NH3+])c2s1 ZINC001167879589 778743134 /nfs/dbraw/zinc/74/31/34/778743134.db2.gz LTDUYZVKMXAGPI-UHFFFAOYSA-N 1 3 312.830 2.328 20 0 DEADHO CC/C=C/CC[NH2+]CC1(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001167901330 778766711 /nfs/dbraw/zinc/76/67/11/778766711.db2.gz SSHSILDGRLIOPF-SNAWJCMRSA-N 1 3 318.465 2.493 20 0 DEADHO C[NH+]1CC2(C1)CCN(Cc1cnc(C(F)(F)F)nc1)CC2 ZINC001141465128 778932219 /nfs/dbraw/zinc/93/22/19/778932219.db2.gz YVUXFRRSOFDYJH-UHFFFAOYSA-N 1 3 300.328 2.023 20 0 DEADHO CC(C)=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001112536049 779222816 /nfs/dbraw/zinc/22/28/16/779222816.db2.gz NNZIPMJWLHFNLH-YJBOKZPZSA-N 1 3 316.449 2.137 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]2C1 ZINC001088150434 779730723 /nfs/dbraw/zinc/73/07/23/779730723.db2.gz CKMRCRYRIDOYNN-MSOLQXFVSA-N 1 3 321.509 2.299 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]2C1 ZINC001088150434 779730729 /nfs/dbraw/zinc/73/07/29/779730729.db2.gz CKMRCRYRIDOYNN-MSOLQXFVSA-N 1 3 321.509 2.299 20 0 DEADHO CC[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CCC2CC2)C1)N(C)C ZINC001088334720 779984497 /nfs/dbraw/zinc/98/44/97/779984497.db2.gz OAMSWHSNOPVWJO-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CC2CCN(Cc3cccnc3)CC2)CCO1 ZINC001168093101 780015407 /nfs/dbraw/zinc/01/54/07/780015407.db2.gz LOUCORWKNJYEQV-YJBOKZPZSA-N 1 3 303.450 2.451 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N2CCCCC[C@H](NCCF)C2)CC[N@@H+]1C ZINC001088369970 780031108 /nfs/dbraw/zinc/03/11/08/780031108.db2.gz XGQGOCAMEGAUHW-JYJNAYRXSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N2CCCCC[C@H](NCCF)C2)CC[N@H+]1C ZINC001088369970 780031112 /nfs/dbraw/zinc/03/11/12/780031112.db2.gz XGQGOCAMEGAUHW-JYJNAYRXSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(CCCF)[C@@H]1C ZINC001088693272 780828015 /nfs/dbraw/zinc/82/80/15/780828015.db2.gz SIYZYNAPSOKWNZ-PMPSAXMXSA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(CCCF)[C@@H]1C ZINC001088693272 780828020 /nfs/dbraw/zinc/82/80/20/780828020.db2.gz SIYZYNAPSOKWNZ-PMPSAXMXSA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCF)[C@@H]1C ZINC001088693272 780828030 /nfs/dbraw/zinc/82/80/30/780828030.db2.gz SIYZYNAPSOKWNZ-PMPSAXMXSA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCF)[C@@H]1C ZINC001088693272 780828039 /nfs/dbraw/zinc/82/80/39/780828039.db2.gz SIYZYNAPSOKWNZ-PMPSAXMXSA-N 1 3 313.461 2.045 20 0 DEADHO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ncc4c(n3)CNCC4)c2c1 ZINC001171165785 790870702 /nfs/dbraw/zinc/87/07/02/790870702.db2.gz QMADIVDVBMAXQC-CYBMUJFWSA-N 1 3 321.428 2.264 20 0 DEADHO CC(C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001089821377 783480623 /nfs/dbraw/zinc/48/06/23/783480623.db2.gz SOEGDQGAWKLSEA-HZMVEIRTSA-N 1 3 319.493 2.048 20 0 DEADHO CC(C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001089821377 783480630 /nfs/dbraw/zinc/48/06/30/783480630.db2.gz SOEGDQGAWKLSEA-HZMVEIRTSA-N 1 3 319.493 2.048 20 0 DEADHO CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N(C)CC ZINC001099497868 783522107 /nfs/dbraw/zinc/52/21/07/783522107.db2.gz RCGLLBWJOVRAKH-YVSFHVDLSA-N 1 3 321.509 2.296 20 0 DEADHO CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N(C)CC ZINC001099497868 783522115 /nfs/dbraw/zinc/52/21/15/783522115.db2.gz RCGLLBWJOVRAKH-YVSFHVDLSA-N 1 3 321.509 2.296 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CCCN2CCC3)C1 ZINC000967204207 783904225 /nfs/dbraw/zinc/90/42/25/783904225.db2.gz HIIDJBDPAXBTPX-SJORKVTESA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CCCN2CCC3)C1 ZINC000967204207 783904234 /nfs/dbraw/zinc/90/42/34/783904234.db2.gz HIIDJBDPAXBTPX-SJORKVTESA-N 1 3 321.509 2.488 20 0 DEADHO CCCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C23CCCN2CCC3)C1 ZINC000967205557 783905290 /nfs/dbraw/zinc/90/52/90/783905290.db2.gz LKZNOEHMJUJBBJ-HOTGVXAUSA-N 1 3 307.482 2.242 20 0 DEADHO CCCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C23CCCN2CCC3)C1 ZINC000967205557 783905294 /nfs/dbraw/zinc/90/52/94/783905294.db2.gz LKZNOEHMJUJBBJ-HOTGVXAUSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CCN1CC1CCC1 ZINC001085686784 783965981 /nfs/dbraw/zinc/96/59/81/783965981.db2.gz BOSNSDVXRDUITE-QZTJIDSGSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CCN1CC1CCC1 ZINC001085686784 783965987 /nfs/dbraw/zinc/96/59/87/783965987.db2.gz BOSNSDVXRDUITE-QZTJIDSGSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@@H](C)CN1CC[C@@H]1CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001085696011 783973857 /nfs/dbraw/zinc/97/38/57/783973857.db2.gz XOJWMUFZGKNBMP-HZPDHXFCSA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967423542 783994577 /nfs/dbraw/zinc/99/45/77/783994577.db2.gz GNWQTLURFJMGPH-QAPCUYQASA-N 1 3 317.477 2.251 20 0 DEADHO CCCN1CC[C@H]1CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001085820391 784110172 /nfs/dbraw/zinc/11/01/72/784110172.db2.gz YSNHRAXEPLNECD-SFHVURJKSA-N 1 3 317.477 2.347 20 0 DEADHO CCCN1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085875972 784166444 /nfs/dbraw/zinc/16/64/44/784166444.db2.gz NLKBQEORJXZTSV-KRWDZBQOSA-N 1 3 303.450 2.305 20 0 DEADHO CN(C[C@H]1CCN1CCCC1CCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001085928078 784224036 /nfs/dbraw/zinc/22/40/36/784224036.db2.gz NFKTXDFTMDXODH-QGZVFWFLSA-N 1 3 319.493 2.195 20 0 DEADHO CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968327985 784291671 /nfs/dbraw/zinc/29/16/71/784291671.db2.gz VQTIKZWUSVUTIE-QAPCUYQASA-N 1 3 317.477 2.251 20 0 DEADHO Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC000968904761 784644187 /nfs/dbraw/zinc/64/41/87/784644187.db2.gz ZEEAUWRKLHTFQJ-QGZVFWFLSA-N 1 3 315.461 2.170 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1)N(C)C ZINC000969074535 784716215 /nfs/dbraw/zinc/71/62/15/784716215.db2.gz HYHPLTSSLJZPGL-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001007747054 784989310 /nfs/dbraw/zinc/98/93/10/784989310.db2.gz PBEINWPRGIMKPQ-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001007747054 784989315 /nfs/dbraw/zinc/98/93/15/784989315.db2.gz PBEINWPRGIMKPQ-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001007747041 784989427 /nfs/dbraw/zinc/98/94/27/784989427.db2.gz PBEINWPRGIMKPQ-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001007747041 784989433 /nfs/dbraw/zinc/98/94/33/784989433.db2.gz PBEINWPRGIMKPQ-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC[NH+]1CCC(N2CCC3(C[C@H]3C(=O)NC3CCC3)CC2)CC1 ZINC001169253252 785117152 /nfs/dbraw/zinc/11/71/52/785117152.db2.gz AIFGFVAHGKINOM-KRWDZBQOSA-N 1 3 319.493 2.242 20 0 DEADHO CC(=O)N1CCC[C@H]([N@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)C1 ZINC001169625933 785269426 /nfs/dbraw/zinc/26/94/26/785269426.db2.gz PONQDFGWJVVMLN-BZSNNMDCSA-N 1 3 307.482 2.336 20 0 DEADHO CC(=O)N1CCC[C@H]([N@@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)C1 ZINC001169625933 785269435 /nfs/dbraw/zinc/26/94/35/785269435.db2.gz PONQDFGWJVVMLN-BZSNNMDCSA-N 1 3 307.482 2.336 20 0 DEADHO CC(=O)N1CCC[C@H](N2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)C1 ZINC001169625933 785269444 /nfs/dbraw/zinc/26/94/44/785269444.db2.gz PONQDFGWJVVMLN-BZSNNMDCSA-N 1 3 307.482 2.336 20 0 DEADHO CC(=O)N1CCC[C@H](N2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)C1 ZINC001169625933 785269449 /nfs/dbraw/zinc/26/94/49/785269449.db2.gz PONQDFGWJVVMLN-BZSNNMDCSA-N 1 3 307.482 2.336 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CC1)N(C)C ZINC001109688552 785988469 /nfs/dbraw/zinc/98/84/69/785988469.db2.gz VLZUGRSWBCMRRY-LTIDMASMSA-N 1 3 307.482 2.094 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1)N(C)C ZINC001109688552 785988474 /nfs/dbraw/zinc/98/84/74/785988474.db2.gz VLZUGRSWBCMRRY-LTIDMASMSA-N 1 3 307.482 2.094 20 0 DEADHO CC[C@H](C)CN1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001113049025 786381881 /nfs/dbraw/zinc/38/18/81/786381881.db2.gz AQELLQURYJKLFN-INIZCTEOSA-N 1 3 318.465 2.098 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1CCN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001113571597 786697658 /nfs/dbraw/zinc/69/76/58/786697658.db2.gz WXZNABSTYOWSTI-KURKYZTESA-N 1 3 321.509 2.299 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1CCN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001113571597 786697661 /nfs/dbraw/zinc/69/76/61/786697661.db2.gz WXZNABSTYOWSTI-KURKYZTESA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001157702216 786854184 /nfs/dbraw/zinc/85/41/84/786854184.db2.gz ONGZNSWODAMAEW-SJORKVTESA-N 1 3 307.482 2.360 20 0 DEADHO CC(C)=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001157702216 786854194 /nfs/dbraw/zinc/85/41/94/786854194.db2.gz ONGZNSWODAMAEW-SJORKVTESA-N 1 3 307.482 2.360 20 0 DEADHO CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(C)C ZINC001114262890 787191316 /nfs/dbraw/zinc/19/13/16/787191316.db2.gz LNYQTGUDUDBOMG-XWTMOSNGSA-N 1 3 321.509 2.486 20 0 DEADHO CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(C)C ZINC001114262890 787191322 /nfs/dbraw/zinc/19/13/22/787191322.db2.gz LNYQTGUDUDBOMG-XWTMOSNGSA-N 1 3 321.509 2.486 20 0 DEADHO Cc1ccc(CNCCNC(=O)CC[C@H]2CCC[N@H+]2C)cc1F ZINC001129842354 787249883 /nfs/dbraw/zinc/24/98/83/787249883.db2.gz WRUHETPYOWXHGG-MRXNPFEDSA-N 1 3 321.440 2.214 20 0 DEADHO Cc1ccc(CNCCNC(=O)CC[C@H]2CCC[N@@H+]2C)cc1F ZINC001129842354 787249884 /nfs/dbraw/zinc/24/98/84/787249884.db2.gz WRUHETPYOWXHGG-MRXNPFEDSA-N 1 3 321.440 2.214 20 0 DEADHO C[C@@H](NCCNC(=O)CC[C@H]1CCC[N@@H+]1C)c1cccc(F)c1 ZINC001129855524 787251747 /nfs/dbraw/zinc/25/17/47/787251747.db2.gz GWOQGCJLZPSLQC-RHSMWYFYSA-N 1 3 321.440 2.467 20 0 DEADHO C[C@@H](NCCNC(=O)CC[C@H]1CCC[N@H+]1C)c1cccc(F)c1 ZINC001129855524 787251754 /nfs/dbraw/zinc/25/17/54/787251754.db2.gz GWOQGCJLZPSLQC-RHSMWYFYSA-N 1 3 321.440 2.467 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[NH2+]CC1CCC(C)(C)CC1)N(C)C ZINC001129947148 787264796 /nfs/dbraw/zinc/26/47/96/787264796.db2.gz LRAZAEQVPORGBV-INIZCTEOSA-N 1 3 311.514 2.495 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+][C@@H](C)c1cc(C)ccc1C)N(C)C ZINC001130204904 787314258 /nfs/dbraw/zinc/31/42/58/787314258.db2.gz CSEYLCRKFHWAMG-DOTOQJQBSA-N 1 3 305.466 2.410 20 0 DEADHO C[C@H](Nc1ccc([C@H]2CCCC[N@@H+]2C)cn1)[C@H]1CNCCO1 ZINC001170574754 787666521 /nfs/dbraw/zinc/66/65/21/787666521.db2.gz WPPIQKVQZFBRJE-NUEKZKHPSA-N 1 3 304.438 2.027 20 0 DEADHO C[C@H](Nc1ccc([C@H]2CCCC[N@H+]2C)cn1)[C@H]1CNCCO1 ZINC001170574754 787666526 /nfs/dbraw/zinc/66/65/26/787666526.db2.gz WPPIQKVQZFBRJE-NUEKZKHPSA-N 1 3 304.438 2.027 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC2=CCCCC2)C1 ZINC001096538785 787715783 /nfs/dbraw/zinc/71/57/83/787715783.db2.gz OQOJVFWXYQQNNH-BDXSIMOUSA-N 1 3 317.477 2.160 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC2=CCCCC2)C1 ZINC001096538785 787715789 /nfs/dbraw/zinc/71/57/89/787715789.db2.gz OQOJVFWXYQQNNH-BDXSIMOUSA-N 1 3 317.477 2.160 20 0 DEADHO CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001158474466 787770962 /nfs/dbraw/zinc/77/09/62/787770962.db2.gz ZUXHADKYYSQAGC-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001158474466 787770965 /nfs/dbraw/zinc/77/09/65/787770965.db2.gz ZUXHADKYYSQAGC-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)N1CCCC1)C2 ZINC001097580773 788138891 /nfs/dbraw/zinc/13/88/91/788138891.db2.gz KJBCWCBZGWIVNF-BDXSIMOUSA-N 1 3 319.493 2.382 20 0 DEADHO CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)N1CCCC1)C2 ZINC001097580773 788138895 /nfs/dbraw/zinc/13/88/95/788138895.db2.gz KJBCWCBZGWIVNF-BDXSIMOUSA-N 1 3 319.493 2.382 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCNCc2ccsc2)C1 ZINC001132739310 788179237 /nfs/dbraw/zinc/17/92/37/788179237.db2.gz PBEGCHTWUKXWCX-OAHLLOKOSA-N 1 3 309.479 2.076 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCNCc2ccsc2)C1 ZINC001132739310 788179238 /nfs/dbraw/zinc/17/92/38/788179238.db2.gz PBEGCHTWUKXWCX-OAHLLOKOSA-N 1 3 309.479 2.076 20 0 DEADHO Cc1ccc(CNCCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC001132893303 788220055 /nfs/dbraw/zinc/22/00/55/788220055.db2.gz MYKQIFQGRVSZDA-HOCLYGCPSA-N 1 3 321.440 2.070 20 0 DEADHO Cc1ccc(CNCCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1F ZINC001132893303 788220060 /nfs/dbraw/zinc/22/00/60/788220060.db2.gz MYKQIFQGRVSZDA-HOCLYGCPSA-N 1 3 321.440 2.070 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(C)C)C1 ZINC001132937472 788231200 /nfs/dbraw/zinc/23/12/00/788231200.db2.gz LJIQAUOINVMINA-JKSUJKDBSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)[C@H](C(=O)NCCNCc1ccc(Cl)s1)[NH+](C)C ZINC001133415556 788407703 /nfs/dbraw/zinc/40/77/03/788407703.db2.gz DDLROOVYJLHAEH-CYBMUJFWSA-N 1 3 317.886 2.194 20 0 DEADHO CC(C)c1ccc(C[NH2+]CCNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001133845722 788638031 /nfs/dbraw/zinc/63/80/31/788638031.db2.gz MHNQMQNNDRROOU-INIZCTEOSA-N 1 3 317.477 2.358 20 0 DEADHO CCCc1ccc(C[NH2+]CCNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001133845532 788638353 /nfs/dbraw/zinc/63/83/53/788638353.db2.gz IDNSMQGYAVUBQZ-INIZCTEOSA-N 1 3 317.477 2.187 20 0 DEADHO CC[C@H]([NH2+]CCNC(=O)CN1CC[C@@H](C)C1)c1ccccc1 ZINC001133849756 788640643 /nfs/dbraw/zinc/64/06/43/788640643.db2.gz DAAFLPDMOHDDPG-WBVHZDCISA-N 1 3 303.450 2.185 20 0 DEADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCC[NH2+]CC2CCCC2)C1 ZINC001133856426 788641149 /nfs/dbraw/zinc/64/11/49/788641149.db2.gz FFMHJYTZEVECRH-KRWDZBQOSA-N 1 3 313.461 2.095 20 0 DEADHO C[C@@H](C[C@H](C)[NH2+]CCCF)NC(=O)C(C)(C)N1CCCCC1 ZINC001134369915 788900942 /nfs/dbraw/zinc/90/09/42/788900942.db2.gz UTWGNONKJHWOAZ-GJZGRUSLSA-N 1 3 315.477 2.483 20 0 DEADHO C[C@H](C[C@@H](C)[NH2+]Cc1ccns1)NC(=O)CN(C)C1CCC1 ZINC001134612306 788997816 /nfs/dbraw/zinc/99/78/16/788997816.db2.gz KTPRQTLTKMUGPS-CHWSQXEVSA-N 1 3 324.494 2.000 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CCC2CCCC2)CCN1C(=O)[C@@H]1CCCN1C ZINC001074565034 791233581 /nfs/dbraw/zinc/23/35/81/791233581.db2.gz OLZCWNSRTPZLQS-XIRDDKMYSA-N 1 3 307.482 2.240 20 0 DEADHO COCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146599348 791320078 /nfs/dbraw/zinc/32/00/78/791320078.db2.gz BEEOIQOOIPYAFX-HOTGVXAUSA-N 1 3 315.502 2.016 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCNC[C@H](F)CC ZINC001147357937 791516474 /nfs/dbraw/zinc/51/64/74/791516474.db2.gz ABXWUKNXJGVLHS-HUUCEWRRSA-N 1 3 301.450 2.095 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCNC[C@H](F)CC ZINC001147357937 791516485 /nfs/dbraw/zinc/51/64/85/791516485.db2.gz ABXWUKNXJGVLHS-HUUCEWRRSA-N 1 3 301.450 2.095 20 0 DEADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1C[NH2+]CC1CCC1 ZINC001075289956 791562324 /nfs/dbraw/zinc/56/23/24/791562324.db2.gz DYHAPESTYMWYSF-RDJZCZTQSA-N 1 3 321.509 2.345 20 0 DEADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+](CC1CCCCC1)C2 ZINC001148457843 791750083 /nfs/dbraw/zinc/75/00/83/791750083.db2.gz CDYKXDAMODQQOC-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+](CC1CCCCC1)C2 ZINC001148457843 791750084 /nfs/dbraw/zinc/75/00/84/791750084.db2.gz CDYKXDAMODQQOC-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CC[C@@H](C)C[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@]2(C)C1 ZINC001091741096 791784618 /nfs/dbraw/zinc/78/46/18/791784618.db2.gz ZWQNXNUGTINCSU-MDZRGWNJSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@@H](C)C[N@H+]1C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@]2(C)C1 ZINC001091741096 791784622 /nfs/dbraw/zinc/78/46/22/791784622.db2.gz ZWQNXNUGTINCSU-MDZRGWNJSA-N 1 3 321.509 2.297 20 0 DEADHO CCCc1ccc(C[NH2+]CCNC(=O)CN(C)CCC)cc1 ZINC001148638979 791787271 /nfs/dbraw/zinc/78/72/71/791787271.db2.gz WHVAWVRRMTUQKC-UHFFFAOYSA-N 1 3 305.466 2.187 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCF)C2)c1 ZINC001086882053 791835145 /nfs/dbraw/zinc/83/51/45/791835145.db2.gz YCVSICBRBRLRSI-WMLDXEAASA-N 1 3 321.440 2.206 20 0 DEADHO CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001086926869 791853904 /nfs/dbraw/zinc/85/39/04/791853904.db2.gz MMGXVXIAHFFRAN-OAHLLOKOSA-N 1 3 307.482 2.194 20 0 DEADHO CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CCC(C)C)C[C@@]2(C)C1)N(C)C ZINC001092021869 791923866 /nfs/dbraw/zinc/92/38/66/791923866.db2.gz KVLSUEYRAKTYHR-RYRKJORJSA-N 1 3 309.498 2.153 20 0 DEADHO CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCC(C)C)C[C@@]2(C)C1)N(C)C ZINC001092021869 791923870 /nfs/dbraw/zinc/92/38/70/791923870.db2.gz KVLSUEYRAKTYHR-RYRKJORJSA-N 1 3 309.498 2.153 20 0 DEADHO CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@]2(C)C1 ZINC001092071345 791928645 /nfs/dbraw/zinc/92/86/45/791928645.db2.gz RZFBXDNNPKLNTQ-NUJGCVRESA-N 1 3 307.482 2.050 20 0 DEADHO CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@]2(C)C1 ZINC001092071345 791928649 /nfs/dbraw/zinc/92/86/49/791928649.db2.gz RZFBXDNNPKLNTQ-NUJGCVRESA-N 1 3 307.482 2.050 20 0 DEADHO CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111467698 792111628 /nfs/dbraw/zinc/11/16/28/792111628.db2.gz SIBKMOJDPYVLNV-NCOADZHNSA-N 1 3 307.482 2.238 20 0 DEADHO CC[C@@H](F)C[NH2+]C1CC(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001100562578 792721530 /nfs/dbraw/zinc/72/15/30/792721530.db2.gz RVCGTWZJIBJGSE-SHARSMKWSA-N 1 3 313.461 2.093 20 0 DEADHO CC[C@@H](C(=O)NCC1CC([NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001100684556 792788293 /nfs/dbraw/zinc/78/82/93/792788293.db2.gz JHQXHQSRGBFXJX-PREGVCBESA-N 1 3 321.509 2.391 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1ccc(CF)cc1 ZINC001171757246 793197674 /nfs/dbraw/zinc/19/76/74/793197674.db2.gz GLEWJEXSKZPNDA-UHFFFAOYSA-N 1 3 309.429 2.094 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CC2CC2)CC1 ZINC001101522362 793204975 /nfs/dbraw/zinc/20/49/75/793204975.db2.gz XAXPFHNWMUQMDX-QGZVFWFLSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)(C)OC(=O)N1CC[C@@H](NC2(C[NH3+])CC2)CC12CCC2 ZINC001171843904 793229403 /nfs/dbraw/zinc/22/94/03/793229403.db2.gz DBUNPAGKVUFOEN-CYBMUJFWSA-N 1 3 309.454 2.390 20 0 DEADHO N[C@H]1CCC[N@@H+]([C@@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001171869606 793236429 /nfs/dbraw/zinc/23/64/29/793236429.db2.gz MWNDCWUTXGIKRO-DLBZAZTESA-N 1 3 301.434 2.104 20 0 DEADHO N[C@H]1CCC[N@H+]([C@@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001171869606 793236434 /nfs/dbraw/zinc/23/64/34/793236434.db2.gz MWNDCWUTXGIKRO-DLBZAZTESA-N 1 3 301.434 2.104 20 0 DEADHO CC(C)(C[NH2+]CCCF)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001101579670 793245054 /nfs/dbraw/zinc/24/50/54/793245054.db2.gz QUVAGSYRUJYKRE-UHFFFAOYSA-N 1 3 324.444 2.166 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCC(=O)NC1CCCCC1)C2 ZINC001172107420 793330934 /nfs/dbraw/zinc/33/09/34/793330934.db2.gz XFSBKJJIQHTOPC-BJWYYQGGSA-N 1 3 307.482 2.430 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCC(=O)NC1CCCCC1)C2 ZINC001172107420 793330942 /nfs/dbraw/zinc/33/09/42/793330942.db2.gz XFSBKJJIQHTOPC-BJWYYQGGSA-N 1 3 307.482 2.430 20 0 DEADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC(=O)NCc1ccc(F)cc1)C2 ZINC001172116235 793337052 /nfs/dbraw/zinc/33/70/52/793337052.db2.gz YTKCQCLMHSOPSI-BJWYYQGGSA-N 1 3 319.424 2.047 20 0 DEADHO O=C1CC[C@@H]2C[C@H]([NH2+]C3CCN(C4CCCC4)CC3)CCN12 ZINC001172166885 793358845 /nfs/dbraw/zinc/35/88/45/793358845.db2.gz VFNDOPBJFKTHAM-NVXWUHKLSA-N 1 3 305.466 2.136 20 0 DEADHO COCCC[NH+]1CCC(N2CC[C@@H](c3cccnc3)C2)CC1 ZINC001172255750 793391682 /nfs/dbraw/zinc/39/16/82/793391682.db2.gz MRNZXCSUYJJSFQ-QGZVFWFLSA-N 1 3 303.450 2.372 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C)N(C)C ZINC001102065994 793492770 /nfs/dbraw/zinc/49/27/70/793492770.db2.gz AXFYWCQBVLPFBV-NXHRZFHOSA-N 1 3 323.525 2.447 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C)N(C)C ZINC001102065994 793492774 /nfs/dbraw/zinc/49/27/74/793492774.db2.gz AXFYWCQBVLPFBV-NXHRZFHOSA-N 1 3 323.525 2.447 20 0 DEADHO CC(C)N1CCN(CC[NH2+]C2CCC3(CCOCC3)CC2)CC1 ZINC001173040272 793562669 /nfs/dbraw/zinc/56/26/69/793562669.db2.gz CDRMPRLEEKWTHZ-UHFFFAOYSA-N 1 3 323.525 2.341 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C)N(C)C ZINC001102330082 793575897 /nfs/dbraw/zinc/57/58/97/793575897.db2.gz AXFYWCQBVLPFBV-KBAYOESNSA-N 1 3 323.525 2.447 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C)N(C)C ZINC001102330082 793575900 /nfs/dbraw/zinc/57/59/00/793575900.db2.gz AXFYWCQBVLPFBV-KBAYOESNSA-N 1 3 323.525 2.447 20 0 DEADHO CCCCC[N@H+]1C[C@@H](CNC(=O)CN2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368488 793587514 /nfs/dbraw/zinc/58/75/14/793587514.db2.gz WJDSUPGXILOYHC-IXDOHACOSA-N 1 3 309.498 2.345 20 0 DEADHO CCCCC[N@@H+]1C[C@@H](CNC(=O)CN2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368488 793587517 /nfs/dbraw/zinc/58/75/17/793587517.db2.gz WJDSUPGXILOYHC-IXDOHACOSA-N 1 3 309.498 2.345 20 0 DEADHO CCCCC[N@H+]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001102531785 793643842 /nfs/dbraw/zinc/64/38/42/793643842.db2.gz FTWCFDBXMZYXMN-UKRRQHHQSA-N 1 3 306.454 2.135 20 0 DEADHO CCCCC[N@@H+]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001102531785 793643844 /nfs/dbraw/zinc/64/38/44/793643844.db2.gz FTWCFDBXMZYXMN-UKRRQHHQSA-N 1 3 306.454 2.135 20 0 DEADHO CC[C@@H]1CC[C@@H](N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2[NH3+])C1 ZINC001173273515 793654397 /nfs/dbraw/zinc/65/43/97/793654397.db2.gz FPNLGKXLZYTJBJ-TUVASFSCSA-N 1 3 311.470 2.491 20 0 DEADHO C[C@H](CN)C[N@H+](C)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173413726 793715371 /nfs/dbraw/zinc/71/53/71/793715371.db2.gz RPGZCPBBXYINRS-CYBMUJFWSA-N 1 3 323.868 2.471 20 0 DEADHO C[C@H](CN)C[N@@H+](C)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173413726 793715375 /nfs/dbraw/zinc/71/53/75/793715375.db2.gz RPGZCPBBXYINRS-CYBMUJFWSA-N 1 3 323.868 2.471 20 0 DEADHO CCCN1C[C@@H]2C[NH+]([C@@H]3CC[C@H](CC(=O)OCC)C3)C[C@H]2C1 ZINC001173661118 793797495 /nfs/dbraw/zinc/79/74/95/793797495.db2.gz OXUSTDUAKDGITA-YLFCFFPRSA-N 1 3 308.466 2.382 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001174692821 794059228 /nfs/dbraw/zinc/05/92/28/794059228.db2.gz XAFPHEINDVYQNO-LBPRGKRZSA-N 1 3 318.396 2.257 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)CCCC[NH2+]C/C=C\Cl ZINC001176760059 794498752 /nfs/dbraw/zinc/49/87/52/794498752.db2.gz PGNBKGYEYKCMRC-IUCKJTJTSA-N 1 3 303.878 2.344 20 0 DEADHO CCOCCC[NH2+]CCCC[C@H](C)NC(=O)CN(C)C(C)C ZINC001176759888 794499196 /nfs/dbraw/zinc/49/91/96/794499196.db2.gz NTLWBRGNXDPXEL-INIZCTEOSA-N 1 3 315.502 2.018 20 0 DEADHO C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1CN(Cc1ccsc1)C2 ZINC001111864283 794505783 /nfs/dbraw/zinc/50/57/83/794505783.db2.gz IQAFQVYPPCKLKN-RDJZCZTQSA-N 1 3 321.490 2.171 20 0 DEADHO CC[NH+]1CCC(CC2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC001176831147 794509432 /nfs/dbraw/zinc/50/94/32/794509432.db2.gz MFIWTLZVGXROIC-UHFFFAOYSA-N 1 3 318.465 2.313 20 0 DEADHO CCN1CCN(CCC[NH2+]Cc2ccc3c(c2)CCC3)CC1 ZINC001177245352 794617145 /nfs/dbraw/zinc/61/71/45/794617145.db2.gz PIZWBGWMBKQFIN-UHFFFAOYSA-N 1 3 301.478 2.293 20 0 DEADHO CC[NH2+]CCCN(CC1CCCC1)C(=O)CN(C)C1CCC1 ZINC001177345215 794643994 /nfs/dbraw/zinc/64/39/94/794643994.db2.gz UWTWGXPYOTYCNN-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CC[NH2+]CCCN(CC1CCCC1)C(=O)CN1CCC[C@@H]1C ZINC001177415989 794666165 /nfs/dbraw/zinc/66/61/65/794666165.db2.gz QOSRINHTNZRYOZ-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO C[NH+](C)CCCCC(=O)N[C@@H]1[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC001115144586 794689172 /nfs/dbraw/zinc/68/91/72/794689172.db2.gz ZHGRPZYKAKNCCZ-QLPKVWCKSA-N 1 3 321.490 2.026 20 0 DEADHO CCC(CC)C[NH2+][C@H]1CCN(C(=O)CN2CC[C@H](C)C2)[C@H]1C ZINC001179539201 795134670 /nfs/dbraw/zinc/13/46/70/795134670.db2.gz QWQPVZQNJPMVDP-ZOBUZTSGSA-N 1 3 309.498 2.343 20 0 DEADHO CCC(CC)C[NH2+][C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)[C@H]1C ZINC001179539199 795134754 /nfs/dbraw/zinc/13/47/54/795134754.db2.gz QWQPVZQNJPMVDP-VYDXJSESSA-N 1 3 309.498 2.343 20 0 DEADHO C[NH+]1CCC(CN2CCN(Cc3ccccc3F)CC2)CC1 ZINC001203360164 795138847 /nfs/dbraw/zinc/13/88/47/795138847.db2.gz SZFDUSDDSMHJJB-UHFFFAOYSA-N 1 3 305.441 2.285 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCCCCCC[NH2+]C/C=C\Cl ZINC001179580474 795145031 /nfs/dbraw/zinc/14/50/31/795145031.db2.gz HQZGYVJPABPTDO-SOIVGHGOSA-N 1 3 315.889 2.489 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC[C@H]([NH2+]CCCF)[C@@H]1C ZINC001179749065 795172080 /nfs/dbraw/zinc/17/20/80/795172080.db2.gz WCOZMEXJQUMFKE-HOTGVXAUSA-N 1 3 315.477 2.437 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001180131572 795238574 /nfs/dbraw/zinc/23/85/74/795238574.db2.gz GXARIJVEEPUUTE-IKGGRYGDSA-N 1 3 309.498 2.343 20 0 DEADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)C(C)(C)c1ccc(C)cc1 ZINC001180608005 795344114 /nfs/dbraw/zinc/34/41/14/795344114.db2.gz RRVDJLSDOKBIKP-UHFFFAOYSA-N 1 3 318.465 2.336 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CC2CC2)C1 ZINC001120448741 795461833 /nfs/dbraw/zinc/46/18/33/795461833.db2.gz FOJDYNABZRSYEL-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CC2CC2)C1 ZINC001120448741 795461837 /nfs/dbraw/zinc/46/18/37/795461837.db2.gz FOJDYNABZRSYEL-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO O=C(N1CCN(CC2CCCCC2)CC1)C12CC[NH+](CC1)CC2 ZINC001181545896 795491429 /nfs/dbraw/zinc/49/14/29/795491429.db2.gz LGJYPQVEVXKZKP-UHFFFAOYSA-N 1 3 319.493 2.197 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](C(=O)N(C)CCN(C)Cc2ccccc2)C1 ZINC001181975837 795586716 /nfs/dbraw/zinc/58/67/16/795586716.db2.gz FNIYZCAPEWQUJV-SFHVURJKSA-N 1 3 317.477 2.307 20 0 DEADHO CC(C)[N@H+]1CC[C@H](C(=O)N(C)CCN(C)Cc2ccccc2)C1 ZINC001181975837 795586718 /nfs/dbraw/zinc/58/67/18/795586718.db2.gz FNIYZCAPEWQUJV-SFHVURJKSA-N 1 3 317.477 2.307 20 0 DEADHO CC(C)=CC[NH2+]C1CC2(CC(NC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001121238889 795607234 /nfs/dbraw/zinc/60/72/34/795607234.db2.gz WHKSKIWAOPXWRC-UHFFFAOYSA-N 1 3 319.493 2.454 20 0 DEADHO CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001121773641 795685995 /nfs/dbraw/zinc/68/59/95/795685995.db2.gz SVUNCBWVUYUXKK-YKZJWBAHSA-N 1 3 321.509 2.391 20 0 DEADHO CC(C)[NH2+]C1CC2(CC(NC(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001121791790 795687190 /nfs/dbraw/zinc/68/71/90/795687190.db2.gz ZKSMQBZZIOCERO-UHFFFAOYSA-N 1 3 309.498 2.390 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CC2CC2)[C@H](C)C1 ZINC001182562938 795707366 /nfs/dbraw/zinc/70/73/66/795707366.db2.gz UBHGDKGGQMSMEW-PVAVHDDUSA-N 1 3 307.482 2.096 20 0 DEADHO CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CC2CC2)[C@H](C)C1 ZINC001182562938 795707371 /nfs/dbraw/zinc/70/73/71/795707371.db2.gz UBHGDKGGQMSMEW-PVAVHDDUSA-N 1 3 307.482 2.096 20 0 DEADHO CC[C@H](C)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001182589276 795711662 /nfs/dbraw/zinc/71/16/62/795711662.db2.gz BIDFTCRDQKMYLN-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[NH2+]C[C@]1(C)CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001182614145 795721994 /nfs/dbraw/zinc/72/19/94/795721994.db2.gz CFQSXVFJRLUPMJ-JFIYKMOQSA-N 1 3 309.498 2.201 20 0 DEADHO CN(CC(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1)C1CCC1 ZINC001183289449 795844836 /nfs/dbraw/zinc/84/48/36/795844836.db2.gz YKRGCMQQIBHIJU-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C ZINC001183517208 795879242 /nfs/dbraw/zinc/87/92/42/795879242.db2.gz UUNGJFXBQOIOCZ-JFIYKMOQSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]C/C=C/c2ccccc2)C1)N(C)C ZINC001183582099 795896710 /nfs/dbraw/zinc/89/67/10/795896710.db2.gz SPMKAPXCIRPKGY-BBUPJTBGSA-N 1 3 315.461 2.231 20 0 DEADHO CC(C)[NH+]1CCC(CN(C)Cc2cnc(N(C)C)nc2)CC1 ZINC001138352149 796202878 /nfs/dbraw/zinc/20/28/78/796202878.db2.gz ONOGTZQJMVJYJV-UHFFFAOYSA-N 1 3 305.470 2.095 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CCC2CC2)[C@H](C)C1 ZINC001185549052 796280231 /nfs/dbraw/zinc/28/02/31/796280231.db2.gz OXCQMZBBBZVOME-NVXWUHKLSA-N 1 3 309.498 2.203 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC[C@@H]([NH2+]CCCCCF)C2)C1 ZINC001185676290 796308159 /nfs/dbraw/zinc/30/81/59/796308159.db2.gz SRHRUNUPLWWOGS-OAHLLOKOSA-N 1 3 313.461 2.049 20 0 DEADHO C[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC001186370258 796395821 /nfs/dbraw/zinc/39/58/21/796395821.db2.gz RNBFZODWPTVOED-ROUUACIJSA-N 1 3 315.461 2.109 20 0 DEADHO C[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC001186370258 796395825 /nfs/dbraw/zinc/39/58/25/796395825.db2.gz RNBFZODWPTVOED-ROUUACIJSA-N 1 3 315.461 2.109 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001186486601 796407707 /nfs/dbraw/zinc/40/77/07/796407707.db2.gz BYNNNZFXRCFAHZ-CYBMUJFWSA-N 1 3 323.403 2.251 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)cc2C)C1 ZINC001186488707 796408127 /nfs/dbraw/zinc/40/81/27/796408127.db2.gz SNZNBYUCZRECDE-QGZVFWFLSA-N 1 3 321.440 2.166 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CCCC3CCC3)C2)CC1 ZINC001186555905 796416017 /nfs/dbraw/zinc/41/60/17/796416017.db2.gz YIKRNHYTHUKPJG-GOSISDBHSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCC2)C12CCC2 ZINC001203650064 796459848 /nfs/dbraw/zinc/45/98/48/796459848.db2.gz FNAXMYWIUPMFPA-HZPDHXFCSA-N 1 3 307.482 2.145 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001187283873 796513935 /nfs/dbraw/zinc/51/39/35/796513935.db2.gz CJDBBKZQDSKSPF-QGZVFWFLSA-N 1 3 303.450 2.027 20 0 DEADHO CCCC[NH2+][C@@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203028113 796515128 /nfs/dbraw/zinc/51/51/28/796515128.db2.gz KXVUVNSQLSUVOK-HUUCEWRRSA-N 1 3 307.482 2.288 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203030569 796516457 /nfs/dbraw/zinc/51/64/57/796516457.db2.gz ZVCLMHDFDDSLSN-HZPDHXFCSA-N 1 3 319.493 2.454 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001187307102 796522423 /nfs/dbraw/zinc/52/24/23/796522423.db2.gz UTWHWNYIJXQODG-DOTOQJQBSA-N 1 3 303.450 2.280 20 0 DEADHO Cc1ccc(C)c(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001188145139 796632574 /nfs/dbraw/zinc/63/25/74/796632574.db2.gz DTPXKJQFNGWEON-GOSISDBHSA-N 1 3 317.477 2.334 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC[NH2+]CCCc1ccsc1 ZINC001152146814 797150882 /nfs/dbraw/zinc/15/08/82/797150882.db2.gz JVPTYCNTRLSLDT-GJZGRUSLSA-N 1 3 323.506 2.259 20 0 DEADHO Cc1ccc(CNCCNC(=O)CCC[NH+]2CCCC2)cc1F ZINC001152236814 797161433 /nfs/dbraw/zinc/16/14/33/797161433.db2.gz FGMYTOBZVIZOAB-UHFFFAOYSA-N 1 3 321.440 2.216 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCc2ccccc21 ZINC001152457070 797191066 /nfs/dbraw/zinc/19/10/66/797191066.db2.gz ARFRBANVCFTVJZ-ZWKOTPCHSA-N 1 3 315.461 2.254 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001152479716 797193806 /nfs/dbraw/zinc/19/38/06/797193806.db2.gz JIKANJXYYOMAFJ-WMLDXEAASA-N 1 3 321.440 2.467 20 0 DEADHO COc1cc(O)cc(OC)c1CN1CCC[C@](F)(C[NH3+])CC1 ZINC001205569929 797241767 /nfs/dbraw/zinc/24/17/67/797241767.db2.gz AMLYESOOULUIRN-MRXNPFEDSA-N 1 3 312.385 2.062 20 0 DEADHO CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001192342269 797367015 /nfs/dbraw/zinc/36/70/15/797367015.db2.gz BTWBWNNFEBGQNP-SDKBWNRFSA-N 1 3 307.482 2.360 20 0 DEADHO CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001192342269 797367022 /nfs/dbraw/zinc/36/70/22/797367022.db2.gz BTWBWNNFEBGQNP-SDKBWNRFSA-N 1 3 307.482 2.360 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CCCCCF)C2)C1 ZINC001192355605 797372790 /nfs/dbraw/zinc/37/27/90/797372790.db2.gz RFTPVZRETRSKQX-JKSUJKDBSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CCCCCF)C2)C1 ZINC001192355605 797372798 /nfs/dbraw/zinc/37/27/98/797372798.db2.gz RFTPVZRETRSKQX-JKSUJKDBSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CCc1ccccc1)N(C)C ZINC001154000994 797441331 /nfs/dbraw/zinc/44/13/31/797441331.db2.gz NOHOOGDNWUXCBQ-SJLPKXTDSA-N 1 3 319.493 2.396 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCc1ccccc1)N(C)C ZINC001154000994 797441335 /nfs/dbraw/zinc/44/13/35/797441335.db2.gz NOHOOGDNWUXCBQ-SJLPKXTDSA-N 1 3 319.493 2.396 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)CC2CCCCC2)C1 ZINC001193641639 797599820 /nfs/dbraw/zinc/59/98/20/797599820.db2.gz IIEBJFPHUWOJRO-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001193641639 797599823 /nfs/dbraw/zinc/59/98/23/797599823.db2.gz IIEBJFPHUWOJRO-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO C[N@H+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194037352 797666781 /nfs/dbraw/zinc/66/67/81/797666781.db2.gz FZFNZMHVOUZLOI-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO C[N@@H+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194037352 797666784 /nfs/dbraw/zinc/66/67/84/797666784.db2.gz FZFNZMHVOUZLOI-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)CCc2cccs2)C1 ZINC001194294955 797711042 /nfs/dbraw/zinc/71/10/42/797711042.db2.gz NPNOLSCCHQBEIV-OAHLLOKOSA-N 1 3 323.506 2.164 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCc2cccs2)C1 ZINC001194294955 797711045 /nfs/dbraw/zinc/71/10/45/797711045.db2.gz NPNOLSCCHQBEIV-OAHLLOKOSA-N 1 3 323.506 2.164 20 0 DEADHO CN(C)Cc1ccnc(N2CC[NH2+]C[C@H]2c2cccs2)c1 ZINC001156119713 797927954 /nfs/dbraw/zinc/92/79/54/797927954.db2.gz FVWLKVFPECUFJZ-AWEZNQCLSA-N 1 3 302.447 2.356 20 0 DEADHO CCN(Cc1ccc(F)cc1)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156194592 797945165 /nfs/dbraw/zinc/94/51/65/797945165.db2.gz UUQKJNHAXOVUNK-OAHLLOKOSA-N 1 3 323.456 2.494 20 0 DEADHO CCN(Cc1ccc(F)cc1)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156194592 797945169 /nfs/dbraw/zinc/94/51/69/797945169.db2.gz UUQKJNHAXOVUNK-OAHLLOKOSA-N 1 3 323.456 2.494 20 0 DEADHO [NH3+]C1CCN(c2cccc(NC3(C4CCOCC4)CC3)n2)CC1 ZINC001156919518 798109105 /nfs/dbraw/zinc/10/91/05/798109105.db2.gz KGPMNCLXYYTUKC-UHFFFAOYSA-N 1 3 316.449 2.380 20 0 DEADHO CCC/C=C\CCN1CCCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001197158738 798157724 /nfs/dbraw/zinc/15/77/24/798157724.db2.gz VJEVYLTXBDNICV-XXCOWLKOSA-N 1 3 321.509 2.465 20 0 DEADHO CCC/C=C\CCN1CCCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001197158738 798157725 /nfs/dbraw/zinc/15/77/25/798157725.db2.gz VJEVYLTXBDNICV-XXCOWLKOSA-N 1 3 321.509 2.465 20 0 DEADHO CC(C)(C)[C@H]([NH3+])CC(=O)N1CCN(CC2CCCCC2)CC1 ZINC001157580045 798234516 /nfs/dbraw/zinc/23/45/16/798234516.db2.gz WNJAHLUSVNNWOF-MRXNPFEDSA-N 1 3 309.498 2.474 20 0 DEADHO C[NH+]1CCC(CN2CCN(c3ccc4c(n3)CCC4)CC2)CC1 ZINC001157838049 798290465 /nfs/dbraw/zinc/29/04/65/798290465.db2.gz PIDHDJWMCZPYBD-UHFFFAOYSA-N 1 3 314.477 2.034 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]C/C=C\Cl)CC1 ZINC001203903069 798324862 /nfs/dbraw/zinc/32/48/62/798324862.db2.gz KPAQIJCAWYCOPO-ZHMISCPASA-N 1 3 313.873 2.194 20 0 DEADHO CCc1ccc(C[NH2+]CCCNC(=O)[C@@H](C2CC2)N(C)C)cc1 ZINC001159931473 798627913 /nfs/dbraw/zinc/62/79/13/798627913.db2.gz DJUZMGARTWIYTQ-GOSISDBHSA-N 1 3 317.477 2.185 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC[NH2+]C/C=C\c1ccccc1)N(C)C ZINC001160420419 798686751 /nfs/dbraw/zinc/68/67/51/798686751.db2.gz FHXYOAJUBLCRCB-QCSXQHJISA-N 1 3 317.477 2.382 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC([NH2+]CCC(C)(C)C)CC1)C1CC1 ZINC001201053818 798711339 /nfs/dbraw/zinc/71/13/39/798711339.db2.gz YMEGNDSHSSWYGU-INIZCTEOSA-N 1 3 309.498 2.343 20 0 DEADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(CCCSC)C2 ZINC001201681109 798782501 /nfs/dbraw/zinc/78/25/01/798782501.db2.gz RFDKKYWSLMPAES-SJORKVTESA-N 1 3 312.523 2.420 20 0 DEADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(CCCSC)C2 ZINC001201681109 798782503 /nfs/dbraw/zinc/78/25/03/798782503.db2.gz RFDKKYWSLMPAES-SJORKVTESA-N 1 3 312.523 2.420 20 0 DEADHO C[NH+](C)CCC(=O)NCCC1=CCN(Cc2ccsc2)CC1 ZINC001161106975 798795947 /nfs/dbraw/zinc/79/59/47/798795947.db2.gz SQUQVHCQISTUGO-UHFFFAOYSA-N 1 3 321.490 2.338 20 0 DEADHO CC(C)C[N@H+]1CC=C(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001161214071 798811358 /nfs/dbraw/zinc/81/13/58/798811358.db2.gz RWVNCHCMZKVTSO-INIZCTEOSA-N 1 3 307.482 2.123 20 0 DEADHO CC(C)C[N@@H+]1CC=C(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001161214071 798811364 /nfs/dbraw/zinc/81/13/64/798811364.db2.gz RWVNCHCMZKVTSO-INIZCTEOSA-N 1 3 307.482 2.123 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]Cc1ccc(C)cc1 ZINC001161244793 798815349 /nfs/dbraw/zinc/81/53/49/798815349.db2.gz DOUYVVHUSURKOJ-UHFFFAOYSA-N 1 3 305.466 2.321 20 0 DEADHO CC(C)(C)CN(c1ncc2c(n1)CCNC2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161675305 798909402 /nfs/dbraw/zinc/90/94/02/798909402.db2.gz XFGSJYGPCMKUHT-SHTZXODSSA-N 1 3 317.481 2.245 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC1=CC[N@@H+](C(C)C)CC1 ZINC001161952728 798977405 /nfs/dbraw/zinc/97/74/05/798977405.db2.gz KWDWCKFSFXHSLJ-QGZVFWFLSA-N 1 3 307.482 2.408 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC1=CC[N@H+](C(C)C)CC1 ZINC001161952728 798977410 /nfs/dbraw/zinc/97/74/10/798977410.db2.gz KWDWCKFSFXHSLJ-QGZVFWFLSA-N 1 3 307.482 2.408 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]CCCC3CCC3)CC2)C1 ZINC001202495837 798983358 /nfs/dbraw/zinc/98/33/58/798983358.db2.gz JDFMZQDFUJVFES-INIZCTEOSA-N 1 3 321.509 2.489 20 0 DEADHO CCCCCC[NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001202503321 799024345 /nfs/dbraw/zinc/02/43/45/799024345.db2.gz LAXRLPNJJDORRX-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)N1CCN(c2ccc(N[C@H]3CCC[C@H]([NH3+])C3)cn2)CC1 ZINC001162397364 799077322 /nfs/dbraw/zinc/07/73/22/799077322.db2.gz TZSOUFCHNIDILX-HOTGVXAUSA-N 1 3 317.481 2.294 20 0 DEADHO CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001114414518 799095393 /nfs/dbraw/zinc/09/53/93/799095393.db2.gz WRRKIHCSHCXKKW-VQFNDLOPSA-N 1 3 307.482 2.097 20 0 DEADHO CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001114414518 799095401 /nfs/dbraw/zinc/09/54/01/799095401.db2.gz WRRKIHCSHCXKKW-VQFNDLOPSA-N 1 3 307.482 2.097 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)CC(C)C)C[C@H]21 ZINC001114488230 799147059 /nfs/dbraw/zinc/14/70/59/799147059.db2.gz JCLSCTDZRBUCQD-NCOADZHNSA-N 1 3 323.525 2.445 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)CC(C)C)C[C@H]21 ZINC001114488230 799147063 /nfs/dbraw/zinc/14/70/63/799147063.db2.gz JCLSCTDZRBUCQD-NCOADZHNSA-N 1 3 323.525 2.445 20 0 DEADHO C[C@@H](F)CC[NH2+]C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001202539120 799162180 /nfs/dbraw/zinc/16/21/80/799162180.db2.gz JPGVGDJHYJXWMV-CQSZACIVSA-N 1 3 315.477 2.293 20 0 DEADHO CCc1ccc(C(C)(C)NCC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000878370258 799203859 /nfs/dbraw/zinc/20/38/59/799203859.db2.gz YBXICCCWMZUAOZ-UHFFFAOYSA-N 1 3 317.477 2.284 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)CC[NH2+]CC2CC2)CN1Cc1ccccc1 ZINC000717193904 799258363 /nfs/dbraw/zinc/25/83/63/799258363.db2.gz UKJIGKPUQLTSNA-QAPCUYQASA-N 1 3 315.461 2.155 20 0 DEADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CCN(Cc2ccsc2)CC1 ZINC001006400861 799392228 /nfs/dbraw/zinc/39/22/28/799392228.db2.gz OLWGZBOFRDRWHH-HNNXBMFYSA-N 1 3 321.490 2.123 20 0 DEADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CCN(Cc2ccsc2)CC1 ZINC001006400861 799392236 /nfs/dbraw/zinc/39/22/36/799392236.db2.gz OLWGZBOFRDRWHH-HNNXBMFYSA-N 1 3 321.490 2.123 20 0 DEADHO Cc1cc(CN)nn1-c1ccc(SC2CC[NH2+]CC2)cc1 ZINC001163988989 799473398 /nfs/dbraw/zinc/47/33/98/799473398.db2.gz YYEDAYJUNHPUMS-UHFFFAOYSA-N 1 3 302.447 2.484 20 0 DEADHO Nc1cccc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)n1 ZINC001165303511 799701654 /nfs/dbraw/zinc/70/16/54/799701654.db2.gz IVJNCZOREFOGBA-JTQLQIEISA-N 1 3 300.328 2.317 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC1(C[NH2+]CC[C@H](C)F)CC1)N(C)C ZINC001165617059 799752095 /nfs/dbraw/zinc/75/20/95/799752095.db2.gz HLOYQJJQUQUORB-GJZGRUSLSA-N 1 3 315.477 2.197 20 0 DEADHO Cc1cc(C[NH2+]CCCNC(=O)CN2CCC[C@@H]2C)cs1 ZINC001166626664 799904731 /nfs/dbraw/zinc/90/47/31/799904731.db2.gz IVBZTRYYHNODGK-ZDUSSCGKSA-N 1 3 309.479 2.137 20 0 DEADHO Cc1cc(C[NH2+]CCCNC(=O)CN2CC[C@H](C)C2)c(C)s1 ZINC001166676712 799917752 /nfs/dbraw/zinc/91/77/52/799917752.db2.gz BPKJOUDVRMNXBK-ZDUSSCGKSA-N 1 3 323.506 2.303 20 0 DEADHO CCc1ccc(C[NH2+]CCCNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001166677222 799918202 /nfs/dbraw/zinc/91/82/02/799918202.db2.gz HJPQSPXELZIYIJ-MRXNPFEDSA-N 1 3 317.477 2.187 20 0 DEADHO CCN(CC)CC(=O)N[C@H]1C[C@@H]([NH2+]CC=C(C)C)C12CCC2 ZINC001203524566 800069073 /nfs/dbraw/zinc/06/90/73/800069073.db2.gz XAMZXFZGHCVSTE-CVEARBPZSA-N 1 3 307.482 2.311 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([NH2+]CCCCCF)CC1 ZINC001203924575 800147225 /nfs/dbraw/zinc/14/72/25/800147225.db2.gz DXNAMAVINGWYMK-UHFFFAOYSA-N 1 3 301.450 2.047 20 0 DEADHO CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001204793869 800258201 /nfs/dbraw/zinc/25/82/01/800258201.db2.gz PSWSLFPOXJVNHN-BDUNBXCCSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC(C[NH2+]C/C=C/Cl)CC1)N(C)C ZINC001205493159 800364992 /nfs/dbraw/zinc/36/49/92/800364992.db2.gz SXZPDOUOSLCPRD-PXTSUWAFSA-N 1 3 315.889 2.153 20 0 DEADHO CCOC(=O)c1ccnc(CN2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1 ZINC001205636495 800390997 /nfs/dbraw/zinc/39/09/97/800390997.db2.gz CWTCEAWIEIYRMN-ZFWWWQNUSA-N 1 3 305.422 2.065 20 0 DEADHO NC[C@@]1(O)CCCC[N@H+](Cc2ccc(-c3ccncc3)cc2)C1 ZINC001205683322 800400390 /nfs/dbraw/zinc/40/03/90/800400390.db2.gz YLNOTVSDTCFIRE-IBGZPJMESA-N 1 3 311.429 2.424 20 0 DEADHO NC[C@@]1(O)CCCC[N@@H+](Cc2ccc(-c3ccncc3)cc2)C1 ZINC001205683322 800400395 /nfs/dbraw/zinc/40/03/95/800400395.db2.gz YLNOTVSDTCFIRE-IBGZPJMESA-N 1 3 311.429 2.424 20 0 DEADHO [NH3+]C[C@@]1(O)CCCCN(Cc2ccc(-c3ccncc3)cc2)C1 ZINC001205683322 800400399 /nfs/dbraw/zinc/40/03/99/800400399.db2.gz YLNOTVSDTCFIRE-IBGZPJMESA-N 1 3 311.429 2.424 20 0 DEADHO [NH3+]C[C@]1(O)CCCCN(Cc2cc(O)cc3ccccc32)C1 ZINC001205726680 800409768 /nfs/dbraw/zinc/40/97/68/800409768.db2.gz WRUPEZONLLJUDK-GOSISDBHSA-N 1 3 300.402 2.221 20 0 DEADHO COc1cc(C[N@@H+]2CC[C@@H](N)[C@H](F)CC2)ccc1-n1ccnc1 ZINC001206195960 800488628 /nfs/dbraw/zinc/48/86/28/800488628.db2.gz AHJXMGGGQZPWMF-HUUCEWRRSA-N 1 3 318.396 2.142 20 0 DEADHO COc1cc(C[N@H+]2CC[C@@H](N)[C@H](F)CC2)ccc1-n1ccnc1 ZINC001206195960 800488630 /nfs/dbraw/zinc/48/86/30/800488630.db2.gz AHJXMGGGQZPWMF-HUUCEWRRSA-N 1 3 318.396 2.142 20 0 DEADHO C[C@H]1C[C@@H](CF)N(Cc2cccc(CN3CC[NH2+]CC3)c2)C1 ZINC001206336255 800511183 /nfs/dbraw/zinc/51/11/83/800511183.db2.gz KHWUAKUZCRAJLO-YJBOKZPZSA-N 1 3 305.441 2.272 20 0 DEADHO COC(C[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1)OC ZINC001207254692 800717332 /nfs/dbraw/zinc/71/73/32/800717332.db2.gz UCDGMVGHCKATNX-UHFFFAOYSA-N 1 3 304.434 2.203 20 0 DEADHO COC(=O)CC[N@H+](CCCN(C)C)CCc1ccccc1F ZINC001207499231 800766831 /nfs/dbraw/zinc/76/68/31/800766831.db2.gz FIJGVDDBUIELFO-UHFFFAOYSA-N 1 3 310.413 2.185 20 0 DEADHO COC(=O)CC[N@@H+](CCCN(C)C)CCc1ccccc1F ZINC001207499231 800766834 /nfs/dbraw/zinc/76/68/34/800766834.db2.gz FIJGVDDBUIELFO-UHFFFAOYSA-N 1 3 310.413 2.185 20 0 DEADHO CCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001207859266 800849382 /nfs/dbraw/zinc/84/93/82/800849382.db2.gz NBNIQCXPUZHWIM-HZPDHXFCSA-N 1 3 307.482 2.242 20 0 DEADHO CCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001207859266 800849389 /nfs/dbraw/zinc/84/93/89/800849389.db2.gz NBNIQCXPUZHWIM-HZPDHXFCSA-N 1 3 307.482 2.242 20 0 DEADHO CN1CCC[C@H](C[N@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)C1 ZINC001208606666 801028961 /nfs/dbraw/zinc/02/89/61/801028961.db2.gz GFMQZVHVUNGCIC-YESZJQIVSA-N 1 3 319.518 2.454 20 0 DEADHO CN1CCC[C@H](C[N@@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)C1 ZINC001208606666 801028966 /nfs/dbraw/zinc/02/89/66/801028966.db2.gz GFMQZVHVUNGCIC-YESZJQIVSA-N 1 3 319.518 2.454 20 0 DEADHO O[C@@H]1CCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[C@@H]1F ZINC001208941841 801098390 /nfs/dbraw/zinc/09/83/90/801098390.db2.gz NJVXFXWTRUZAMU-FGTMMUONSA-N 1 3 306.425 2.303 20 0 DEADHO O[C@@H]1CCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[C@@H]1F ZINC001208941841 801098394 /nfs/dbraw/zinc/09/83/94/801098394.db2.gz NJVXFXWTRUZAMU-FGTMMUONSA-N 1 3 306.425 2.303 20 0 DEADHO OC[C@H]1C[N@H+](C[C@H]2CCN(Cc3ccccc3)C2)CCC1(F)F ZINC001208948458 801100525 /nfs/dbraw/zinc/10/05/25/801100525.db2.gz QMYBTNRQXDXSJV-DLBZAZTESA-N 1 3 324.415 2.458 20 0 DEADHO OC[C@H]1C[N@@H+](C[C@H]2CCN(Cc3ccccc3)C2)CCC1(F)F ZINC001208948458 801100526 /nfs/dbraw/zinc/10/05/26/801100526.db2.gz QMYBTNRQXDXSJV-DLBZAZTESA-N 1 3 324.415 2.458 20 0 DEADHO CCOC(=O)[C@@H]1CCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208948196 801100707 /nfs/dbraw/zinc/10/07/07/801100707.db2.gz FMSWUTHVASARQE-QZTJIDSGSA-N 1 3 316.445 2.394 20 0 DEADHO CCOC(=O)[C@@H]1CCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208948196 801100712 /nfs/dbraw/zinc/10/07/12/801100712.db2.gz FMSWUTHVASARQE-QZTJIDSGSA-N 1 3 316.445 2.394 20 0 DEADHO CC(=O)N[C@H]1CCC[N@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208948598 801101119 /nfs/dbraw/zinc/10/11/19/801101119.db2.gz HBLWHNASRKKQMX-OALUTQOASA-N 1 3 315.461 2.109 20 0 DEADHO CC(=O)N[C@H]1CCC[N@@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208948598 801101121 /nfs/dbraw/zinc/10/11/21/801101121.db2.gz HBLWHNASRKKQMX-OALUTQOASA-N 1 3 315.461 2.109 20 0 DEADHO CCOC(=O)[C@H]1CC[C@H](C[NH+]2CCC3(CN(C)C3)CC2)CC1 ZINC001209011048 801111119 /nfs/dbraw/zinc/11/11/19/801111119.db2.gz KRMGIJSOBSURCR-WKILWMFISA-N 1 3 308.466 2.384 20 0 DEADHO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN(C[C@@H]3C[C@@H]3C)CC2)C1 ZINC001209419840 801189619 /nfs/dbraw/zinc/18/96/19/801189619.db2.gz ZFMOQCYGEYXBSR-XHSDSOJGSA-N 1 3 308.466 2.382 20 0 DEADHO CCOC(=O)[C@@H]1CCC[N@H+](C2CCN(C[C@@H]3C[C@@H]3C)CC2)C1 ZINC001209419840 801189623 /nfs/dbraw/zinc/18/96/23/801189623.db2.gz ZFMOQCYGEYXBSR-XHSDSOJGSA-N 1 3 308.466 2.382 20 0 DEADHO CC(C)CCC[NH+]1CCC(NC(=O)CN2CCC[C@H]2C)CC1 ZINC001229184770 801237384 /nfs/dbraw/zinc/23/73/84/801237384.db2.gz BGROPOACDPRFSY-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CN(CC(=O)N1CCC[C@H]([NH2+]C/C=C/Cl)C1)CC(C)(C)C ZINC001209690553 801255973 /nfs/dbraw/zinc/25/59/73/801255973.db2.gz RRGBAFNWUNLHHF-OWNNVSBGSA-N 1 3 315.889 2.297 20 0 DEADHO C[C@@H]1CN(Cc2c[nH+]ccc2N)CCC[C@@]1(O)C(F)(F)F ZINC001209729388 801266218 /nfs/dbraw/zinc/26/62/18/801266218.db2.gz JIDZMKDGKPXYCS-MFKMUULPSA-N 1 3 303.328 2.019 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cncs1 ZINC001229525057 801289402 /nfs/dbraw/zinc/28/94/02/801289402.db2.gz XAMYMQGVAPZUMX-HUUCEWRRSA-N 1 3 324.494 2.002 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cncs1 ZINC001229525057 801289408 /nfs/dbraw/zinc/28/94/08/801289408.db2.gz XAMYMQGVAPZUMX-HUUCEWRRSA-N 1 3 324.494 2.002 20 0 DEADHO CCN(CC)CC(=O)NC1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001229678961 801303734 /nfs/dbraw/zinc/30/37/34/801303734.db2.gz PHCSIRXAIKGOMX-ZACQAIPSSA-N 1 3 321.509 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/Cl ZINC001229877354 801332339 /nfs/dbraw/zinc/33/23/39/801332339.db2.gz RCRQKSALZYYACA-VAIDBEGPSA-N 1 3 301.862 2.098 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001210219751 801352237 /nfs/dbraw/zinc/35/22/37/801352237.db2.gz UEEZOXCPFJBDMN-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CCCCCF)C1 ZINC001210231016 801355724 /nfs/dbraw/zinc/35/57/24/801355724.db2.gz ZSJRYGUBVHYCHU-HNNXBMFYSA-N 1 3 301.450 2.049 20 0 DEADHO CCCN(C)CC(=O)NC1CC[NH+](CC2=CCCCC2)CC1 ZINC001230113197 801362460 /nfs/dbraw/zinc/36/24/60/801362460.db2.gz WSKJVAPULNHZGH-UHFFFAOYSA-N 1 3 307.482 2.409 20 0 DEADHO COc1cnccc1Nc1c(F)cccc1N1CC[NH+](C)CC1 ZINC001211265041 801540251 /nfs/dbraw/zinc/54/02/51/801540251.db2.gz LIVOUSKJYCHLGP-UHFFFAOYSA-N 1 3 316.380 2.147 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccsc2)C1 ZINC001211284289 801541897 /nfs/dbraw/zinc/54/18/97/801541897.db2.gz KQOWMYRLSVTSPL-HNNXBMFYSA-N 1 3 309.479 2.169 20 0 DEADHO CCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@H]1C ZINC001214611314 801739086 /nfs/dbraw/zinc/73/90/86/801739086.db2.gz ZIRYVPCOFZUZET-ZACQAIPSSA-N 1 3 309.498 2.486 20 0 DEADHO CC(=O)N1CC[C@@H]([N@@H+](Cc2cc3cnccc3[nH]2)C(C)C)C1 ZINC001232016735 801769942 /nfs/dbraw/zinc/76/99/42/801769942.db2.gz DNBCTJUSJHAMED-MRXNPFEDSA-N 1 3 300.406 2.394 20 0 DEADHO CC(=O)N1CC[C@@H]([N@H+](Cc2cc3cnccc3[nH]2)C(C)C)C1 ZINC001232016735 801769943 /nfs/dbraw/zinc/76/99/43/801769943.db2.gz DNBCTJUSJHAMED-MRXNPFEDSA-N 1 3 300.406 2.394 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]C/C=C/Cl ZINC001215567908 801876980 /nfs/dbraw/zinc/87/69/80/801876980.db2.gz GIVCSACQMZLYEU-JLVOYYQZSA-N 1 3 315.889 2.153 20 0 DEADHO CC(C)(C)c1ccc(-c2nnc(C34CNCC3C[NH2+]C4)o2)cc1 ZINC001217705884 802102119 /nfs/dbraw/zinc/10/21/19/802102119.db2.gz HXXRCEIQYDNCPM-UHFFFAOYSA-N 1 3 312.417 2.095 20 0 DEADHO N[C@@H](C(=O)Nc1ncc(-c2ccccc2)s1)C1CC[NH2+]CC1 ZINC001218525268 802198355 /nfs/dbraw/zinc/19/83/55/802198355.db2.gz WOCWDYYLMAHAIT-CQSZACIVSA-N 1 3 316.430 2.076 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccnc(Cl)c1Cl ZINC001218559726 802205064 /nfs/dbraw/zinc/20/50/64/802205064.db2.gz URIVXDOMLTZMEN-VIFPVBQESA-N 1 3 319.236 2.386 20 0 DEADHO C[NH2+]Cc1ccc(C(=O)Nc2cc([C@@H]3CCCN3)no2)cc1 ZINC001218712787 802231255 /nfs/dbraw/zinc/23/12/55/802231255.db2.gz JGKLFEJQOPYBFW-ZDUSSCGKSA-N 1 3 300.362 2.071 20 0 DEADHO Cc1n[nH]c2cc(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)ccc12 ZINC001218930617 802261794 /nfs/dbraw/zinc/26/17/94/802261794.db2.gz ALSZGMDFPVKLER-HNNXBMFYSA-N 1 3 317.437 2.305 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccc2oncc2c1 ZINC001218943635 802263096 /nfs/dbraw/zinc/26/30/96/802263096.db2.gz VPNSGDQCYSXLEH-AWEZNQCLSA-N 1 3 304.394 2.262 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cccc2c1OCCC2 ZINC001218974265 802267786 /nfs/dbraw/zinc/26/77/86/802267786.db2.gz JBQYNYCNKGJVML-AWEZNQCLSA-N 1 3 305.422 2.009 20 0 DEADHO N[C@@H](CSCC[NH3+])C(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC001220441304 802461834 /nfs/dbraw/zinc/46/18/34/802461834.db2.gz YAKUXZBAWXODGP-HOTGVXAUSA-N 1 3 321.490 2.053 20 0 DEADHO [NH3+][C@@]12CC[C@@](NC(=O)C[C@@H]3Cc4ccccc4CN3)(C1)CCC2 ZINC001220777263 802496436 /nfs/dbraw/zinc/49/64/36/802496436.db2.gz KRAXAQUBAYUNHX-YTQUADARSA-N 1 3 313.445 2.011 20 0 DEADHO CC[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1ccc(C)cc1C ZINC001220962582 802516649 /nfs/dbraw/zinc/51/66/49/802516649.db2.gz NSEMUICHLMDCJY-SZVBFZGTSA-N 1 3 315.461 2.070 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789314 802616140 /nfs/dbraw/zinc/61/61/40/802616140.db2.gz PDGUGLCEWLUIQC-KBAYOESNSA-N 1 3 315.461 2.232 20 0 DEADHO CCCC[NH+]1CCC(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001225543757 802980372 /nfs/dbraw/zinc/98/03/72/802980372.db2.gz YPLHAZDXUFPNTF-IYBDPMFKSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\Cl)N(C)C ZINC001226922070 803176169 /nfs/dbraw/zinc/17/61/69/803176169.db2.gz LFPDLIPJQCEGFN-TYEZFOBJSA-N 1 3 315.889 2.342 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC[C@H](C)F ZINC001227149860 803208288 /nfs/dbraw/zinc/20/82/88/803208288.db2.gz GHBWQSAROMCNIL-RRFJBIMHSA-N 1 3 315.477 2.482 20 0 DEADHO CC[C@H](C(=O)NC1CC[NH+](CC2CC3(CCC3)C2)CC1)N(C)C ZINC001227986596 803302104 /nfs/dbraw/zinc/30/21/04/803302104.db2.gz GPKSCPTVKDIHHB-QGZVFWFLSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC001334126004 1150202212 /nfs/dbraw/zinc/20/22/12/1150202212.db2.gz NKOSLHPOFCYBJN-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC001334126004 1150202222 /nfs/dbraw/zinc/20/22/22/1150202222.db2.gz NKOSLHPOFCYBJN-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC=C(C)C)C1 ZINC001330708757 1149263601 /nfs/dbraw/zinc/26/36/01/1149263601.db2.gz PBABEUWOTBBMCX-BRWVUGGUSA-N 1 3 307.482 2.311 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)C1 ZINC001370058424 1149371233 /nfs/dbraw/zinc/37/12/33/1149371233.db2.gz DPLXBJBWTBGILZ-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)C1 ZINC001370058424 1149371237 /nfs/dbraw/zinc/37/12/37/1149371237.db2.gz DPLXBJBWTBGILZ-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](C)N1CCCCCC1 ZINC001331331729 1149420303 /nfs/dbraw/zinc/42/03/03/1149420303.db2.gz CIPPDKPGHMSTCO-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](CNC(=O)[C@@H](CC)N(C)C)[NH2+]Cc1cccc(F)c1 ZINC001419207801 1168314658 /nfs/dbraw/zinc/31/46/58/1168314658.db2.gz GIMTYBOWVPSQRC-HZPDHXFCSA-N 1 3 309.429 2.150 20 0 DEADHO CC(C)[C@@H]1CC(=O)N(CN2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)C1 ZINC001335253899 1150390600 /nfs/dbraw/zinc/39/06/00/1150390600.db2.gz PZEKGVRWQQONPC-HZMVEIRTSA-N 1 3 307.482 2.111 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[N@H+](C)CC1CCCC1 ZINC001420304074 1169339613 /nfs/dbraw/zinc/33/96/13/1169339613.db2.gz AEMMITZBQSYLNV-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[N@@H+](C)CC1CCCC1 ZINC001420304074 1169339624 /nfs/dbraw/zinc/33/96/24/1169339624.db2.gz AEMMITZBQSYLNV-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001368348262 1148420801 /nfs/dbraw/zinc/42/08/01/1148420801.db2.gz AFKDZJDXBXQLPX-QBPKDAKJSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H](F)CC[N@@H+]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001404076552 1163422327 /nfs/dbraw/zinc/42/23/27/1163422327.db2.gz HBGPYPQWGKMNHJ-HUUCEWRRSA-N 1 3 315.477 2.151 20 0 DEADHO C[C@@H](F)CC[N@H+]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001404076552 1163422331 /nfs/dbraw/zinc/42/23/31/1163422331.db2.gz HBGPYPQWGKMNHJ-HUUCEWRRSA-N 1 3 315.477 2.151 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CN(C)CCF)CC1 ZINC001404619757 1163755989 /nfs/dbraw/zinc/75/59/89/1163755989.db2.gz VWVGIBGUMABYJZ-INIZCTEOSA-N 1 3 313.461 2.001 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(CN(C)CCF)CC1 ZINC001404619757 1163755996 /nfs/dbraw/zinc/75/59/96/1163755996.db2.gz VWVGIBGUMABYJZ-INIZCTEOSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCCC3)C2)C1 ZINC001368500077 1148469108 /nfs/dbraw/zinc/46/91/08/1148469108.db2.gz IPNKQMHJEZWRGW-OIISXLGYSA-N 1 3 307.482 2.003 20 0 DEADHO C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001603649832 1070017379 /nfs/dbraw/zinc/01/73/79/1070017379.db2.gz GKZBOYCXFZUZAE-JQRITLKVSA-N 1 3 314.437 2.390 20 0 DEADHO C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001603649832 1070017388 /nfs/dbraw/zinc/01/73/88/1070017388.db2.gz GKZBOYCXFZUZAE-JQRITLKVSA-N 1 3 314.437 2.390 20 0 DEADHO CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(-c2nnn[n-]2)cc1 ZINC001604052401 1070187499 /nfs/dbraw/zinc/18/74/99/1070187499.db2.gz BCSRWMUVPSWJMN-WFASDCNBSA-N 1 3 302.426 2.425 20 0 DEADHO CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(-c2nn[n-]n2)cc1 ZINC001604052401 1070187503 /nfs/dbraw/zinc/18/75/03/1070187503.db2.gz BCSRWMUVPSWJMN-WFASDCNBSA-N 1 3 302.426 2.425 20 0 DEADHO CC[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001604060982 1070193089 /nfs/dbraw/zinc/19/30/89/1070193089.db2.gz IUZZTOMXPWQQLD-BLLLJJGKSA-N 1 3 314.437 2.296 20 0 DEADHO CC[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001604060982 1070193091 /nfs/dbraw/zinc/19/30/91/1070193091.db2.gz IUZZTOMXPWQQLD-BLLLJJGKSA-N 1 3 314.437 2.296 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCCC1CCC1)N(C)C ZINC001499926668 1058382193 /nfs/dbraw/zinc/38/21/93/1058382193.db2.gz POUGSSODPAZJNJ-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CCC2)CCC1 ZINC001501960838 1059810488 /nfs/dbraw/zinc/81/04/88/1059810488.db2.gz SLHIYYPDZLYBME-MRXNPFEDSA-N 1 3 307.482 2.289 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@@H]1CCCN(C/C=C/Cl)CC1 ZINC001502135728 1059981688 /nfs/dbraw/zinc/98/16/88/1059981688.db2.gz PUDPMSBDDZWRGL-VZUFXWRPSA-N 1 3 301.862 2.051 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](Cc2cccc(C)c2)C1)N(C)C ZINC001369169965 1148860605 /nfs/dbraw/zinc/86/06/05/1148860605.db2.gz VDTDXQWQXAQRGQ-YJBOKZPZSA-N 1 3 317.477 2.272 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CC[N@H+](CC3CC3)CC2(C)C)CCC1 ZINC001502829220 1060332067 /nfs/dbraw/zinc/33/20/67/1060332067.db2.gz QGVQLLOUMCVNFZ-OAHLLOKOSA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)CC2(C)C)CCC1 ZINC001502829220 1060332091 /nfs/dbraw/zinc/33/20/91/1060332091.db2.gz QGVQLLOUMCVNFZ-OAHLLOKOSA-N 1 3 307.482 2.097 20 0 DEADHO CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CN(C)CCC ZINC001505416527 1060554634 /nfs/dbraw/zinc/55/46/34/1060554634.db2.gz MZQKIRGVLJEKBV-SJLPKXTDSA-N 1 3 303.450 2.110 20 0 DEADHO Cc1cc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)C(C)C)cs1 ZINC001505761012 1060939933 /nfs/dbraw/zinc/93/99/33/1060939933.db2.gz QFGSPRGGWAGFRZ-UONOGXRCSA-N 1 3 311.495 2.380 20 0 DEADHO C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC001479474209 1061469543 /nfs/dbraw/zinc/46/95/43/1061469543.db2.gz CYFBOZOJJOTFDC-INIZCTEOSA-N 1 3 322.497 2.131 20 0 DEADHO C[C@H]1CCC[N@H+]1CCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC001479474209 1061469550 /nfs/dbraw/zinc/46/95/50/1061469550.db2.gz CYFBOZOJJOTFDC-INIZCTEOSA-N 1 3 322.497 2.131 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[N@H+](C)CCC1CC1 ZINC001479738604 1061665142 /nfs/dbraw/zinc/66/51/42/1061665142.db2.gz GTWAIRRUFFJEDD-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[N@@H+](C)CCC1CC1 ZINC001479738604 1061665154 /nfs/dbraw/zinc/66/51/54/1061665154.db2.gz GTWAIRRUFFJEDD-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO Cc1cc(C[N@@H+](C)CCCNC(=O)[C@H]2CCCN2C)c(C)s1 ZINC001479788659 1061763565 /nfs/dbraw/zinc/76/35/65/1061763565.db2.gz AGIJDTYEOPEVLO-MRXNPFEDSA-N 1 3 323.506 2.397 20 0 DEADHO Cc1cc(C[N@H+](C)CCCNC(=O)[C@H]2CCCN2C)c(C)s1 ZINC001479788659 1061763580 /nfs/dbraw/zinc/76/35/80/1061763580.db2.gz AGIJDTYEOPEVLO-MRXNPFEDSA-N 1 3 323.506 2.397 20 0 DEADHO CC(C)[NH+]1CCC2(C[C@@H]2NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001479985696 1062147007 /nfs/dbraw/zinc/14/70/07/1062147007.db2.gz UTPRLGUYGADBFN-HNNXBMFYSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]([NH2+]CCC(C)(C)C)C2CC2)C1 ZINC001480047034 1062238884 /nfs/dbraw/zinc/23/88/84/1062238884.db2.gz NVFZNLMDLDPXOP-ZBFHGGJFSA-N 1 3 309.498 2.249 20 0 DEADHO CCCC[NH+]1CC([C@H](C)NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001506658096 1062246186 /nfs/dbraw/zinc/24/61/86/1062246186.db2.gz CZGWXUSEAOABMY-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC001480173398 1062427967 /nfs/dbraw/zinc/42/79/67/1062427967.db2.gz HWTNFNSVZLHMJA-RBSFLKMASA-N 1 3 321.440 2.464 20 0 DEADHO Cc1cccc(C[NH2+][C@H](C)CN(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001507087131 1062810304 /nfs/dbraw/zinc/81/03/04/1062810304.db2.gz CQHJYCHZCGKACC-MRXNPFEDSA-N 1 3 317.477 2.416 20 0 DEADHO C[C@H](CN(C)C(=O)CCC[NH+]1CCCC1)NC/C=C/Cl ZINC001507161541 1062935109 /nfs/dbraw/zinc/93/51/09/1062935109.db2.gz LYFLLABJYOBWIZ-IZPAUZPXSA-N 1 3 301.862 2.051 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCc2cccs2)C[C@H]1C ZINC001507327928 1063101425 /nfs/dbraw/zinc/10/14/25/1063101425.db2.gz LPKKPMMMADUQRQ-HUUCEWRRSA-N 1 3 323.506 2.211 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001480674935 1063173773 /nfs/dbraw/zinc/17/37/73/1063173773.db2.gz BCSVUJFFVPDPQJ-KRWDZBQOSA-N 1 3 307.482 2.267 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@H](NCc2nccs2)C1 ZINC001480697659 1063205716 /nfs/dbraw/zinc/20/57/16/1063205716.db2.gz HEGVWHGGRPHJLP-UONOGXRCSA-N 1 3 324.494 2.002 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CC[C@@H](C[NH2+]C/C=C/Cl)C2)CCC1 ZINC001507397943 1063225936 /nfs/dbraw/zinc/22/59/36/1063225936.db2.gz ICIZWSLREYNDMW-SYVBBQGSSA-N 1 3 313.873 2.098 20 0 DEADHO CC[NH2+]CCc1ccc(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)cc1 ZINC001480716394 1063234687 /nfs/dbraw/zinc/23/46/87/1063234687.db2.gz JFTDFNPCZXFAIP-HOTGVXAUSA-N 1 3 317.477 2.328 20 0 DEADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1cc(F)ccc1C ZINC001493058252 1063522986 /nfs/dbraw/zinc/52/29/86/1063522986.db2.gz IACZEFOXFDNYMS-OAHLLOKOSA-N 1 3 321.440 2.024 20 0 DEADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1cc(F)ccc1C ZINC001493058252 1063523008 /nfs/dbraw/zinc/52/30/08/1063523008.db2.gz IACZEFOXFDNYMS-OAHLLOKOSA-N 1 3 321.440 2.024 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CCN(C/C=C\Cl)C1)[NH+]1CCCC1 ZINC001493224044 1063649372 /nfs/dbraw/zinc/64/93/72/1063649372.db2.gz UZBSPSHHGSFCIS-BRLPQQTGSA-N 1 3 313.873 2.051 20 0 DEADHO CCCCC[NH2+][C@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001493852232 1063993660 /nfs/dbraw/zinc/99/36/60/1063993660.db2.gz ZMNGTLFGLJNQPZ-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CC[C@H](F)CNCCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001567571069 1064259376 /nfs/dbraw/zinc/25/93/76/1064259376.db2.gz MSYNWZYZRBZEJU-CABCVRRESA-N 1 3 301.450 2.047 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1CN(CC2=CCCCC2)C1 ZINC001494564909 1064321583 /nfs/dbraw/zinc/32/15/83/1064321583.db2.gz ZDJJAWOHRCVLHB-GOSISDBHSA-N 1 3 319.493 2.409 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCC1CN(CC2=CCCCC2)C1 ZINC001494564909 1064321589 /nfs/dbraw/zinc/32/15/89/1064321589.db2.gz ZDJJAWOHRCVLHB-GOSISDBHSA-N 1 3 319.493 2.409 20 0 DEADHO CC(C)C[NH2+]CCC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001568094086 1064643385 /nfs/dbraw/zinc/64/33/85/1064643385.db2.gz PZZDOQGSBAXKNL-MRXNPFEDSA-N 1 3 309.498 2.203 20 0 DEADHO CC[C@H](F)C[NH2+]CC1(NC(=O)CN2CC[C@@H](C)C2)CCCC1 ZINC001495189203 1064752668 /nfs/dbraw/zinc/75/26/68/1064752668.db2.gz VMIIYAWLXBIQEV-CABCVRRESA-N 1 3 313.461 2.095 20 0 DEADHO CC(C)=CC[NH2+]C[C@](C)(NC(=O)Cc1nc[nH]c1C)C1CC1 ZINC001495297658 1064815485 /nfs/dbraw/zinc/81/54/85/1064815485.db2.gz LQSJNHHETFEFAV-KRWDZBQOSA-N 1 3 304.438 2.101 20 0 DEADHO CCCC[NH2+]CC[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001568678106 1065044132 /nfs/dbraw/zinc/04/41/32/1065044132.db2.gz LAVZTRSAOKNAID-WMLDXEAASA-N 1 3 315.477 2.483 20 0 DEADHO CC[C@H](F)CNCCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001568781955 1065115296 /nfs/dbraw/zinc/11/52/96/1065115296.db2.gz VZPWGDKWOALPOM-HOTGVXAUSA-N 1 3 315.477 2.436 20 0 DEADHO CC[C@H](F)CNCCN(CC)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001568781955 1065115300 /nfs/dbraw/zinc/11/53/00/1065115300.db2.gz VZPWGDKWOALPOM-HOTGVXAUSA-N 1 3 315.477 2.436 20 0 DEADHO C[C@H](C[NH2+]Cc1ccccc1)N(C)C(=O)CN1CCC(C)CC1 ZINC001496196211 1065335664 /nfs/dbraw/zinc/33/56/64/1065335664.db2.gz OKBLAPQZKRVBPX-QGZVFWFLSA-N 1 3 317.477 2.355 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC=C(C)C)C1CC1 ZINC001569305839 1065418503 /nfs/dbraw/zinc/41/85/03/1065418503.db2.gz BECNOMYNMCDEHP-DLBZAZTESA-N 1 3 307.482 2.311 20 0 DEADHO C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)[C@H]1C[NH2+]CCC1CC1 ZINC001496482650 1065500365 /nfs/dbraw/zinc/50/03/65/1065500365.db2.gz JIXIFVXJSIYNEX-QAPCUYQASA-N 1 3 321.509 2.488 20 0 DEADHO O=C(CN1CCCC1)N1CCC[C@@H]1C[NH2+]CCCC1CCC1 ZINC001569565267 1065597121 /nfs/dbraw/zinc/59/71/21/1065597121.db2.gz XIEAAIDTPQZJAE-QGZVFWFLSA-N 1 3 307.482 2.243 20 0 DEADHO CCC[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001569668911 1065660574 /nfs/dbraw/zinc/66/05/74/1065660574.db2.gz CVRZOJVUABPAOM-SFHVURJKSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)=CC[NH+]1CCC(C)(CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001569706975 1065681579 /nfs/dbraw/zinc/68/15/79/1065681579.db2.gz GONAZCWGMUNQCS-UHFFFAOYSA-N 1 3 318.465 2.445 20 0 DEADHO CC(C)(C[NH3+])CC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC001575310226 1066260398 /nfs/dbraw/zinc/26/03/98/1066260398.db2.gz DHIIDIVNLPYIEQ-CYBMUJFWSA-N 1 3 309.479 2.376 20 0 DEADHO CC(C)(C)OC(=O)N1CC[C@H]2CN(CC(C)(C)C[NH3+])CC[C@H]21 ZINC001575315053 1066262231 /nfs/dbraw/zinc/26/22/31/1066262231.db2.gz FZQBQJLXGZABGR-UONOGXRCSA-N 1 3 311.470 2.303 20 0 DEADHO C[C@H](CN[C@H](C)c1ccccc1F)NC(=O)C1CC[NH+](C)CC1 ZINC001497900001 1066403607 /nfs/dbraw/zinc/40/36/07/1066403607.db2.gz QVWHZGALIXWOJO-ZIAGYGMSSA-N 1 3 321.440 2.323 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCc2ccccc21)N(C)C ZINC001497905599 1066407245 /nfs/dbraw/zinc/40/72/45/1066407245.db2.gz NPBPETWLUFPMSE-ZTFGCOKTSA-N 1 3 317.477 2.354 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001497993692 1066449766 /nfs/dbraw/zinc/44/97/66/1066449766.db2.gz TXXJWKJOACZADN-KGLIPLIRSA-N 1 3 309.429 2.321 20 0 DEADHO C[C@](O)(CN[C@H]1C[C@@H]([NH3+])C12CCOCC2)c1ccccc1Cl ZINC001576267098 1066541609 /nfs/dbraw/zinc/54/16/09/1066541609.db2.gz UYZGTGYQXCABPE-PMPSAXMXSA-N 1 3 324.852 2.034 20 0 DEADHO C[C@@H]1C[C@H](CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)CC[NH2+]1 ZINC001576599937 1066643550 /nfs/dbraw/zinc/64/35/50/1066643550.db2.gz YTLQOXDOXJIPSL-QLFBSQMISA-N 1 3 311.470 2.316 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC001576798058 1066692115 /nfs/dbraw/zinc/69/21/15/1066692115.db2.gz LMOWUYCQAFXVHU-TXCZRRACSA-N 1 3 322.497 2.018 20 0 DEADHO C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C[NH2+]CC(C)(C)N ZINC001576893601 1066713201 /nfs/dbraw/zinc/71/32/01/1066713201.db2.gz AEAKPSFFDJBJBK-VXGBXAGGSA-N 1 3 315.458 2.074 20 0 DEADHO CC[C@@H](C)N[C@@H](CNC(=O)C1=CCC[NH2+]CC1)c1ccco1 ZINC001577002138 1066742552 /nfs/dbraw/zinc/74/25/52/1066742552.db2.gz CQQMUOHCEFCHCT-HIFRSBDPSA-N 1 3 305.422 2.135 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CC[C@H](C)F ZINC001498658730 1066826319 /nfs/dbraw/zinc/82/63/19/1066826319.db2.gz QOPXEYNFIIBXFW-GJZGRUSLSA-N 1 3 301.450 2.047 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@]12CC[C@H]1C[NH2+]C2)c1ccsc1 ZINC001577681494 1066903172 /nfs/dbraw/zinc/90/31/72/1066903172.db2.gz WNRSHVRGAMAMSO-UXLLHSPISA-N 1 3 321.490 2.247 20 0 DEADHO CCN(Cc1ccc(CN2CCOCC2)cc1)C1CC[NH2+]CC1 ZINC001577734107 1066916805 /nfs/dbraw/zinc/91/68/05/1066916805.db2.gz GCZAYBWKMLITAI-UHFFFAOYSA-N 1 3 317.477 2.093 20 0 DEADHO CCOC(=O)N1CCC[C@H]([C@H](C)N[C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC001577991205 1066960982 /nfs/dbraw/zinc/96/09/82/1066960982.db2.gz KANLUOXWRYZRGA-XUWVNRHRSA-N 1 3 311.470 2.364 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC001578410021 1067089165 /nfs/dbraw/zinc/08/91/65/1067089165.db2.gz BTNNCJAJODMEAA-JZXOWHBKSA-N 1 3 315.461 2.110 20 0 DEADHO CN(C)c1cccc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)n1 ZINC001578427011 1067097754 /nfs/dbraw/zinc/09/77/54/1067097754.db2.gz LEQNLSYSXGWBLU-DJIMGWMZSA-N 1 3 318.465 2.008 20 0 DEADHO C[C@H]([NH2+]C1(CNC(=O)CN(C)C2CCC2)CC1)c1ccccc1 ZINC001499251179 1067156335 /nfs/dbraw/zinc/15/63/35/1067156335.db2.gz YSKSIWCPMORFQV-HNNXBMFYSA-N 1 3 315.461 2.470 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1 ZINC001368612052 1148525284 /nfs/dbraw/zinc/52/52/84/1148525284.db2.gz XRUCZVUPIZNFON-QAQDUYKDSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H](C(=O)NCC1([NH2+]CCC2CC2)CC1)N1CCCCCC1 ZINC001499370645 1067199733 /nfs/dbraw/zinc/19/97/33/1067199733.db2.gz AZQTUJNZRQYAMO-HNNXBMFYSA-N 1 3 307.482 2.289 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@H]2CC[N@H+](CCC)C2)CC1 ZINC001499477299 1067231980 /nfs/dbraw/zinc/23/19/80/1067231980.db2.gz BJYCTUKAIDDWKW-KRWDZBQOSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@H]2CC[N@@H+](CCC)C2)CC1 ZINC001499477299 1067231985 /nfs/dbraw/zinc/23/19/85/1067231985.db2.gz BJYCTUKAIDDWKW-KRWDZBQOSA-N 1 3 309.498 2.299 20 0 DEADHO C[C@H](NC[C@@H](O)CC[NH3+])c1cc(Cl)ccc1OC(F)F ZINC001579485867 1067352657 /nfs/dbraw/zinc/35/26/57/1067352657.db2.gz VCCKIVYNKRUVLC-WPRPVWTQSA-N 1 3 308.756 2.302 20 0 DEADHO Cc1nnsc1[C@H](C)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC001579915704 1067451926 /nfs/dbraw/zinc/45/19/26/1067451926.db2.gz RZHGIDPMHMPEDE-FQUUOJAGSA-N 1 3 310.467 2.126 20 0 DEADHO [NH3+][C@H](CNc1ccccc1CN1CCC(O)CC1)CC(F)F ZINC001580132399 1067504209 /nfs/dbraw/zinc/50/42/09/1067504209.db2.gz NXLJCAGKVHKMFD-ZDUSSCGKSA-N 1 3 313.392 2.038 20 0 DEADHO [NH3+][C@H]1C[C@@H](NCCc2ccc3c(c2)OCCCO3)C12CCC2 ZINC001580165299 1067515273 /nfs/dbraw/zinc/51/52/73/1067515273.db2.gz UOEGOQXFAQJPGA-DLBZAZTESA-N 1 3 302.418 2.250 20 0 DEADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3cnc(C4CC4)nc3)C2)C1 ZINC001580200440 1067522518 /nfs/dbraw/zinc/52/25/18/1067522518.db2.gz QZHOJUGISVWEBR-BBWFWOEESA-N 1 3 316.449 2.072 20 0 DEADHO CN(CCC[NH2+][C@@H]1CCc2ccccc21)C(=O)[C@H]1CCCN1C ZINC001483455845 1078544431 /nfs/dbraw/zinc/54/44/31/1078544431.db2.gz FVQYBRFMUYSSCJ-QZTJIDSGSA-N 1 3 315.461 2.206 20 0 DEADHO [NH3+]C[C@@]12CCC[C@H]1CN(Cc1ccccc1N1CCOCC1)C2 ZINC001549087535 1073010975 /nfs/dbraw/zinc/01/09/75/1073010975.db2.gz PWOXUAKUIJGORQ-PKOBYXMFSA-N 1 3 315.461 2.084 20 0 DEADHO O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccccc1)c1cccc2c1CNC2 ZINC001549296929 1073114971 /nfs/dbraw/zinc/11/49/71/1073114971.db2.gz URSCJUNJAFFBTF-QFBILLFUSA-N 1 3 321.424 2.165 20 0 DEADHO CCn1cc([C@@H]2OCCC[C@@H]2C[NH2+][C@H]2CCC[C@@H]2CN)cn1 ZINC001549338088 1073131728 /nfs/dbraw/zinc/13/17/28/1073131728.db2.gz FGJPZBPDJFUBJI-TXCZRRACSA-N 1 3 306.454 2.088 20 0 DEADHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCCN(C)C2)[C@@H](n2cncn2)C1 ZINC001549547493 1073188490 /nfs/dbraw/zinc/18/84/90/1073188490.db2.gz VPAZKGDKQJJFLM-QZWWFDLISA-N 1 3 305.470 2.329 20 0 DEADHO [NH3+][C@H]1CCCC[C@@H]1CC(=O)Nc1ccc2c(c1)OCCNC2 ZINC001549756139 1073254049 /nfs/dbraw/zinc/25/40/49/1073254049.db2.gz XFUYWXNRASRIIH-DOMZBBRYSA-N 1 3 303.406 2.015 20 0 DEADHO CN1CC[NH+]([C@H]2CCN(c3ccnc4ccsc43)C2)CC1 ZINC001549906371 1073327860 /nfs/dbraw/zinc/32/78/60/1073327860.db2.gz SGFHSDYCFUZLKG-ZDUSSCGKSA-N 1 3 302.447 2.122 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001550231846 1073522198 /nfs/dbraw/zinc/52/21/98/1073522198.db2.gz UJGCEZJCUHGUCM-PKOBYXMFSA-N 1 3 313.445 2.213 20 0 DEADHO CCN(CCF)CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001649437224 1079118956 /nfs/dbraw/zinc/11/89/56/1079118956.db2.gz OGLCXXJAWKIAPT-INIZCTEOSA-N 1 3 313.461 2.191 20 0 DEADHO CCN(CCF)CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001649437224 1079118960 /nfs/dbraw/zinc/11/89/60/1079118960.db2.gz OGLCXXJAWKIAPT-INIZCTEOSA-N 1 3 313.461 2.191 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@H]1CCCN1Cc1ccc(CF)cc1 ZINC001481055512 1079133835 /nfs/dbraw/zinc/13/38/35/1079133835.db2.gz HQBABZKLVKCFLP-QGZVFWFLSA-N 1 3 321.440 2.188 20 0 DEADHO C[N@@H+]1CC[C@H]2CN(CCc3nc(-c4ccccc4)no3)C[C@H]2C1 ZINC001550541238 1073710062 /nfs/dbraw/zinc/71/00/62/1073710062.db2.gz SQTRCGANROEXHV-JKSUJKDBSA-N 1 3 312.417 2.163 20 0 DEADHO C[N@H+]1CC[C@H]2CN(CCc3nc(-c4ccccc4)no3)C[C@H]2C1 ZINC001550541238 1073710069 /nfs/dbraw/zinc/71/00/69/1073710069.db2.gz SQTRCGANROEXHV-JKSUJKDBSA-N 1 3 312.417 2.163 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H]([NH2+]Cc1ccc([O-])c(F)c1)C2 ZINC001550665533 1073783865 /nfs/dbraw/zinc/78/38/65/1073783865.db2.gz NSXNJRLOBANEKA-DKIMLUQUSA-N 1 3 322.424 2.101 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H]([NH2+]Cc1ccc([O-])c(F)c1)C2 ZINC001550665533 1073783873 /nfs/dbraw/zinc/78/38/73/1073783873.db2.gz NSXNJRLOBANEKA-DKIMLUQUSA-N 1 3 322.424 2.101 20 0 DEADHO [NH3+]CC[C@@H]1CCCCN1C[C@H](O)COc1ccc(Cl)cc1 ZINC001646279611 1074397969 /nfs/dbraw/zinc/39/79/69/1074397969.db2.gz CIHUSKLVMXKBSD-GJZGRUSLSA-N 1 3 312.841 2.283 20 0 DEADHO CN(C(=O)[C@H]1CCN1C1CCCC1)C1CC[NH+](C2CC2)CC1 ZINC001551889749 1074412476 /nfs/dbraw/zinc/41/24/76/1074412476.db2.gz PYCHNRZHLXQEKT-QGZVFWFLSA-N 1 3 305.466 2.089 20 0 DEADHO COC[C@H]1C[C@H](O)CN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001552169435 1074482439 /nfs/dbraw/zinc/48/24/39/1074482439.db2.gz ZIYPSWWPUMUSEA-MOPGFXCFSA-N 1 3 318.461 2.254 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H]2CCCC[C@H]2[NH3+])N(C)C)cc1 ZINC001649858295 1079269667 /nfs/dbraw/zinc/26/96/67/1079269667.db2.gz UBCXZTWJWWHDPV-BBWFWOEESA-N 1 3 303.450 2.231 20 0 DEADHO [NH3+][C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2cccc3c2CNC3)C1 ZINC001552433151 1074576245 /nfs/dbraw/zinc/57/62/45/1074576245.db2.gz GEHVAZJLGATANW-QAPCUYQASA-N 1 3 307.397 2.204 20 0 DEADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1 ZINC001646769932 1074610157 /nfs/dbraw/zinc/61/01/57/1074610157.db2.gz ZEIHZPAUEAYANU-HSFUPAIVSA-N 1 3 319.493 2.430 20 0 DEADHO CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001553025714 1074740591 /nfs/dbraw/zinc/74/05/91/1074740591.db2.gz MUVIOPAXQHBANJ-SJHCENCUSA-N 1 3 306.372 2.463 20 0 DEADHO CC1(C)[C@@H]2NCCC[C@@H]2[C@H]1[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC001553026677 1074741164 /nfs/dbraw/zinc/74/11/64/1074741164.db2.gz XAKUTBOQPRYKMG-BFHYXJOUSA-N 1 3 319.415 2.379 20 0 DEADHO CN1CC[C@H](CN[C@@H]2CC[NH2+]C23CCCC3)[C@@H]1c1cccnc1 ZINC001553027821 1074741742 /nfs/dbraw/zinc/74/17/42/1074741742.db2.gz OTWVZUIWRVPTNI-KURKYZTESA-N 1 3 314.477 2.339 20 0 DEADHO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(C2CCCC2)CC1 ZINC001647085859 1074786093 /nfs/dbraw/zinc/78/60/93/1074786093.db2.gz OMVRKCXKSAWREQ-DLBZAZTESA-N 1 3 322.497 2.129 20 0 DEADHO CCCN1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001647106585 1074797691 /nfs/dbraw/zinc/79/76/91/1074797691.db2.gz REWBWHHPCBEVQX-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CCCN1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001647106585 1074797697 /nfs/dbraw/zinc/79/76/97/1074797697.db2.gz REWBWHHPCBEVQX-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC(C(C)(C)C[NH+](C)C)CC1)N(C)C ZINC001647419646 1074921828 /nfs/dbraw/zinc/92/18/28/1074921828.db2.gz WPZWTPUUTIXVGL-MRXNPFEDSA-N 1 3 311.514 2.399 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNCCF ZINC001566942234 1075394208 /nfs/dbraw/zinc/39/42/08/1075394208.db2.gz HVXVADYHWCTVJQ-HOTGVXAUSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNCCF ZINC001566942234 1075394215 /nfs/dbraw/zinc/39/42/15/1075394215.db2.gz HVXVADYHWCTVJQ-HOTGVXAUSA-N 1 3 313.461 2.047 20 0 DEADHO O=C(CCN1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)Nc1cccnc1 ZINC001580534059 1075946192 /nfs/dbraw/zinc/94/61/92/1075946192.db2.gz NCIYMIKQCAKCAV-DOTOQJQBSA-N 1 3 316.449 2.264 20 0 DEADHO c1c(CNCC[C@H]2CCC[NH2+]CC2)nnn1Cc1ccccc1 ZINC001580893203 1076016337 /nfs/dbraw/zinc/01/63/37/1076016337.db2.gz XLSXPKITVOWMDE-INIZCTEOSA-N 1 3 313.449 2.196 20 0 DEADHO [NH3+]CCCCCC[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001592743809 1076958273 /nfs/dbraw/zinc/95/82/73/1076958273.db2.gz DJHQZPQXPAALGE-MRXNPFEDSA-N 1 3 314.437 2.353 20 0 DEADHO [NH3+]CCCCCC[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001592743809 1076958275 /nfs/dbraw/zinc/95/82/75/1076958275.db2.gz DJHQZPQXPAALGE-MRXNPFEDSA-N 1 3 314.437 2.353 20 0 DEADHO CC[C@H](C)C[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC001650369352 1079568115 /nfs/dbraw/zinc/56/81/15/1079568115.db2.gz WZAQLNNYEUBJKX-PQEBFOHHSA-N 1 3 303.450 2.012 20 0 DEADHO N[C@H](C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)C1CCCCCC1 ZINC001650373867 1079570151 /nfs/dbraw/zinc/57/01/51/1079570151.db2.gz OIDOTWPDOXYRIF-KRWDZBQOSA-N 1 3 317.433 2.405 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]CCC1CC1 ZINC001484376705 1079572358 /nfs/dbraw/zinc/57/23/58/1079572358.db2.gz JDGNQRWAOKHVAV-DOTOQJQBSA-N 1 3 323.525 2.449 20 0 DEADHO CN(CCNC/C=C\Cl)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001481279856 1079598716 /nfs/dbraw/zinc/59/87/16/1079598716.db2.gz ORUSYRVTKHGHJM-WMZJFQQLSA-N 1 3 323.868 2.205 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[N@H+](CCCCCF)CC1 ZINC001484725517 1079750432 /nfs/dbraw/zinc/75/04/32/1079750432.db2.gz BKTRPPWPEZGWCQ-OAHLLOKOSA-N 1 3 324.444 2.371 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[N@@H+](CCCCCF)CC1 ZINC001484725517 1079750436 /nfs/dbraw/zinc/75/04/36/1079750436.db2.gz BKTRPPWPEZGWCQ-OAHLLOKOSA-N 1 3 324.444 2.371 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001484904491 1079853430 /nfs/dbraw/zinc/85/34/30/1079853430.db2.gz KFOLKZAMVHOECV-WBVHZDCISA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCc2ccccc2)C1 ZINC001484909888 1079855320 /nfs/dbraw/zinc/85/53/20/1079855320.db2.gz QNDPLXIKCLVPGG-AEFFLSMTSA-N 1 3 317.477 2.006 20 0 DEADHO CCCC[N@@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)C(C)(C)C1 ZINC001484935920 1079867905 /nfs/dbraw/zinc/86/79/05/1079867905.db2.gz CHIAXSLGDKOEDI-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)C(C)(C)C1 ZINC001484935920 1079867916 /nfs/dbraw/zinc/86/79/16/1079867916.db2.gz CHIAXSLGDKOEDI-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CCC(CC)C[NH2+]CC1CC(NC(=O)C2(N(C)C)CCC2)C1 ZINC001485093294 1079976984 /nfs/dbraw/zinc/97/69/84/1079976984.db2.gz FCFVIYGJKKWOCK-UHFFFAOYSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]([NH2+]Cc1ccsc1)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001485156827 1080029443 /nfs/dbraw/zinc/02/94/43/1080029443.db2.gz PUIFOZFAXPVTEB-OLZOCXBDSA-N 1 3 309.479 2.215 20 0 DEADHO CC(C)N1CCN(CCC[NH2+]C2([C@H]3CCCO3)CCC2)CC1 ZINC001656524271 1080099588 /nfs/dbraw/zinc/09/95/88/1080099588.db2.gz VISKZFCKPKPNBE-QGZVFWFLSA-N 1 3 309.498 2.094 20 0 DEADHO CN(CC(C)(C)C[NH2+]CC1CC1)C(=O)C(C)(C)N1CCCC1 ZINC001485257390 1080104258 /nfs/dbraw/zinc/10/42/58/1080104258.db2.gz KRSMORUEPNGFQH-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CCCCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001268193799 1080180760 /nfs/dbraw/zinc/18/07/60/1080180760.db2.gz XGRQEBNXYUTING-HOCLYGCPSA-N 1 3 306.454 2.359 20 0 DEADHO CC[C@H](F)CN(C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001660321741 1080310615 /nfs/dbraw/zinc/31/06/15/1080310615.db2.gz KWZZPDNIQLKADA-HOTGVXAUSA-N 1 3 315.477 2.436 20 0 DEADHO CC[C@H](F)CN(C)CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001660321741 1080310620 /nfs/dbraw/zinc/31/06/20/1080310620.db2.gz KWZZPDNIQLKADA-HOTGVXAUSA-N 1 3 315.477 2.436 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001485651996 1080344578 /nfs/dbraw/zinc/34/45/78/1080344578.db2.gz APQIACJGLXEQGY-GVDBMIGSSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001485651996 1080344579 /nfs/dbraw/zinc/34/45/79/1080344579.db2.gz APQIACJGLXEQGY-GVDBMIGSSA-N 1 3 321.509 2.343 20 0 DEADHO CCN(C/C=C/Cl)CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001660576938 1080361960 /nfs/dbraw/zinc/36/19/60/1080361960.db2.gz RVHNXWPIVVKTCL-QKNOVVFDSA-N 1 3 315.889 2.297 20 0 DEADHO CCN(C/C=C/Cl)CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001660576938 1080361966 /nfs/dbraw/zinc/36/19/66/1080361966.db2.gz RVHNXWPIVVKTCL-QKNOVVFDSA-N 1 3 315.889 2.297 20 0 DEADHO CC[N@H+](CCCNC(=O)CN1CC[C@@H](C)C1)CC1CCCC1 ZINC001660588718 1080363099 /nfs/dbraw/zinc/36/30/99/1080363099.db2.gz BUSYWNFGRBATNP-MRXNPFEDSA-N 1 3 309.498 2.347 20 0 DEADHO CC[N@@H+](CCCNC(=O)CN1CC[C@@H](C)C1)CC1CCCC1 ZINC001660588718 1080363105 /nfs/dbraw/zinc/36/31/05/1080363105.db2.gz BUSYWNFGRBATNP-MRXNPFEDSA-N 1 3 309.498 2.347 20 0 DEADHO CCN(CC[NH2+]C/C=C/c1ccccc1)C(=O)[C@@H]1CCCN1C ZINC001268438495 1080466882 /nfs/dbraw/zinc/46/68/82/1080466882.db2.gz JCBPRTFJHADRAN-DBEXCURXSA-N 1 3 315.461 2.232 20 0 DEADHO CN(C)C1(C(=O)N(C)[C@H](C[NH2+]CC2CCCC2)C2CC2)CCC1 ZINC001485813740 1080485953 /nfs/dbraw/zinc/48/59/53/1080485953.db2.gz MFSJICGRKTXWPL-QGZVFWFLSA-N 1 3 321.509 2.488 20 0 DEADHO CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107040656 1080553492 /nfs/dbraw/zinc/55/34/92/1080553492.db2.gz LCKORQZCJRQWTH-PMKBXARWSA-N 1 3 309.498 2.367 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CCCCCF)[C@H](C)C1 ZINC001107040033 1080555761 /nfs/dbraw/zinc/55/57/61/1080555761.db2.gz ADJUNSRVYFVNDE-HZPDHXFCSA-N 1 3 315.477 2.151 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2)[C@H](C)C1 ZINC001107039810 1080556179 /nfs/dbraw/zinc/55/61/79/1080556179.db2.gz ZLSBGSYWBFSIFV-SJLPKXTDSA-N 1 3 317.477 2.211 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CNCc1ccsc1 ZINC001268547456 1080743323 /nfs/dbraw/zinc/74/33/23/1080743323.db2.gz HCKQMUIVCSRFMN-QDLOVBKTSA-N 1 3 321.490 2.385 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CNCc1ccsc1 ZINC001268547456 1080743334 /nfs/dbraw/zinc/74/33/34/1080743334.db2.gz HCKQMUIVCSRFMN-QDLOVBKTSA-N 1 3 321.490 2.385 20 0 DEADHO CC(C)=CC[N@@H+](C)C[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001664835359 1080968745 /nfs/dbraw/zinc/96/87/45/1080968745.db2.gz FTOJBXBCQXGSCI-IAGOWNOFSA-N 1 3 307.482 2.075 20 0 DEADHO CC(C)=CC[N@H+](C)C[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001664835359 1080968749 /nfs/dbraw/zinc/96/87/49/1080968749.db2.gz FTOJBXBCQXGSCI-IAGOWNOFSA-N 1 3 307.482 2.075 20 0 DEADHO CC[C@H](C(=O)N(C)CCC[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001268800447 1080997802 /nfs/dbraw/zinc/99/78/02/1080997802.db2.gz ODMFMEFMNMTAEV-QGZVFWFLSA-N 1 3 305.466 2.273 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1[NH2+]CCCF ZINC001667198164 1081223778 /nfs/dbraw/zinc/22/37/78/1081223778.db2.gz NNRXFLSEDVXSEN-LSDHHAIUSA-N 1 3 315.477 2.151 20 0 DEADHO CCCCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001667763257 1081287105 /nfs/dbraw/zinc/28/71/05/1081287105.db2.gz HYVBTKKNQRSVTK-LSDHHAIUSA-N 1 3 306.454 2.325 20 0 DEADHO CCN(CC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)C1(N(C)C)CCC1 ZINC001668453753 1081356927 /nfs/dbraw/zinc/35/69/27/1081356927.db2.gz YENGQKRCPYRHFM-IXDOHACOSA-N 1 3 321.509 2.345 20 0 DEADHO CCN(CC[NH2+]Cc1ccc(C)c(C)c1)C(=O)[C@H]1CCCN1C ZINC001668521884 1081364081 /nfs/dbraw/zinc/36/40/81/1081364081.db2.gz ZXNRALDLDLKDCO-GOSISDBHSA-N 1 3 317.477 2.336 20 0 DEADHO CCc1ccccc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCN1C ZINC001668746513 1081390619 /nfs/dbraw/zinc/39/06/19/1081390619.db2.gz ZCLSNQDYSZAYPV-MJRGOJFPSA-N 1 3 315.461 2.105 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCc1ccccc1)N(C)C ZINC001270137117 1081458099 /nfs/dbraw/zinc/45/80/99/1081458099.db2.gz UTDQDRDOOUITOZ-ROUUACIJSA-N 1 3 317.477 2.150 20 0 DEADHO CCC/C=C\CC[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001270189117 1081470475 /nfs/dbraw/zinc/47/04/75/1081470475.db2.gz YEHWKYJDHBYJBQ-CHYADLBTSA-N 1 3 307.482 2.409 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CC3=CCCCC3)C[C@@H]2C1 ZINC001672442499 1081599271 /nfs/dbraw/zinc/59/92/71/1081599271.db2.gz INMHKUGXAOXITP-HDICACEKSA-N 1 3 319.493 2.219 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CC3=CCCCC3)C[C@@H]2C1 ZINC001672442499 1081599278 /nfs/dbraw/zinc/59/92/78/1081599278.db2.gz INMHKUGXAOXITP-HDICACEKSA-N 1 3 319.493 2.219 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1CC[NH2+]C/C=C\Cl ZINC001482456319 1081905639 /nfs/dbraw/zinc/90/56/39/1081905639.db2.gz LZJVGKBIMLGYNH-JHAQOBCDSA-N 1 3 310.829 2.066 20 0 DEADHO CN(CCNC(=O)C(C)(C)[NH+]1CCCCC1)Cc1ccccc1 ZINC001480864355 1081939566 /nfs/dbraw/zinc/93/95/66/1081939566.db2.gz OUJSGKYOBTWGLB-UHFFFAOYSA-N 1 3 317.477 2.499 20 0 DEADHO CC1CCN(CCNC(=O)[C@H]2CCCCC23CC[NH2+]CC3)CC1 ZINC001648964633 1081959818 /nfs/dbraw/zinc/95/98/18/1081959818.db2.gz DFZYGCXZYUMQJB-QGZVFWFLSA-N 1 3 321.509 2.395 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1CC[NH2+]C/C=C\Cl ZINC001271598576 1082089059 /nfs/dbraw/zinc/08/90/59/1082089059.db2.gz AODHFXFRACBTCO-AJHXJQRKSA-N 1 3 315.889 2.442 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](CC1CC(C)C1)C1CC1 ZINC001493450703 1082165837 /nfs/dbraw/zinc/16/58/37/1082165837.db2.gz VXMKCIVAIPQENU-LEOMRAHMSA-N 1 3 321.509 2.488 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](CC1CC(C)C1)C1CC1 ZINC001493450703 1082165838 /nfs/dbraw/zinc/16/58/38/1082165838.db2.gz VXMKCIVAIPQENU-LEOMRAHMSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](C[NH2+]C/C=C\Cl)C1)N(C)C ZINC001266794437 1082348929 /nfs/dbraw/zinc/34/89/29/1082348929.db2.gz ZQFFBSDXYPHQGZ-MSSSOJMCSA-N 1 3 315.889 2.153 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCNC/C=C\Cl ZINC001266854144 1082398238 /nfs/dbraw/zinc/39/82/38/1082398238.db2.gz BUNJRWRKEGXMLH-IQCBXXCUSA-N 1 3 301.862 2.050 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)CCNC/C=C\Cl ZINC001266854144 1082398241 /nfs/dbraw/zinc/39/82/41/1082398241.db2.gz BUNJRWRKEGXMLH-IQCBXXCUSA-N 1 3 301.862 2.050 20 0 DEADHO Cc1ccc(C[N@@H+](C)CCN(C)C(=O)[C@H]2CCCN2C)cc1C ZINC001482618689 1082411132 /nfs/dbraw/zinc/41/11/32/1082411132.db2.gz IFOUDBRLAXHYNQ-GOSISDBHSA-N 1 3 317.477 2.288 20 0 DEADHO Cc1ccc(C[N@H+](C)CCN(C)C(=O)[C@H]2CCCN2C)cc1C ZINC001482618689 1082411133 /nfs/dbraw/zinc/41/11/33/1082411133.db2.gz IFOUDBRLAXHYNQ-GOSISDBHSA-N 1 3 317.477 2.288 20 0 DEADHO CCN(CC[NH2+]Cc1ccccc1C)C(=O)[C@H]1CCCN1C ZINC001482914320 1082560808 /nfs/dbraw/zinc/56/08/08/1082560808.db2.gz LRVDSQVRYOJMLP-QGZVFWFLSA-N 1 3 303.450 2.027 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1C ZINC001409437428 1082888739 /nfs/dbraw/zinc/88/87/39/1082888739.db2.gz QXWCSAFDTCDSGB-HOTGVXAUSA-N 1 3 305.466 2.320 20 0 DEADHO C[C@@H](F)CC[N@H+](C)[C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001409587704 1082970424 /nfs/dbraw/zinc/97/04/24/1082970424.db2.gz XXXDJGHXFYYPPF-HUUCEWRRSA-N 1 3 315.477 2.436 20 0 DEADHO C[C@@H](F)CC[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001409587704 1082970427 /nfs/dbraw/zinc/97/04/27/1082970427.db2.gz XXXDJGHXFYYPPF-HUUCEWRRSA-N 1 3 315.477 2.436 20 0 DEADHO C[C@@H](C[NH2+]CCCc1ccccc1)NC(=O)CN1CC[C@H](C)C1 ZINC001483266484 1083064526 /nfs/dbraw/zinc/06/45/26/1083064526.db2.gz MMBCZYQQHSRHKT-IRXDYDNUSA-N 1 3 317.477 2.055 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001483285650 1083073946 /nfs/dbraw/zinc/07/39/46/1083073946.db2.gz GATXBEBOICDFGT-HNNXBMFYSA-N 1 3 309.498 2.393 20 0 DEADHO Cc1ccc(C[NH2+]CCCN(C)C(=O)CN(C)C(C)C)cc1 ZINC001276400011 1083378375 /nfs/dbraw/zinc/37/83/75/1083378375.db2.gz UNHZVZJHIALYLK-UHFFFAOYSA-N 1 3 305.466 2.273 20 0 DEADHO CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438546 1083396227 /nfs/dbraw/zinc/39/62/27/1083396227.db2.gz DVRBEBXVTSAVRH-ZHALLVOQSA-N 1 3 321.509 2.488 20 0 DEADHO CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438546 1083396237 /nfs/dbraw/zinc/39/62/37/1083396237.db2.gz DVRBEBXVTSAVRH-ZHALLVOQSA-N 1 3 321.509 2.488 20 0 DEADHO CC/C=C\CC[NH+]1CC([C@H](C)NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001276454246 1083444667 /nfs/dbraw/zinc/44/46/67/1083444667.db2.gz UZEMSXBIXODNFT-UTXVFXJSSA-N 1 3 309.498 2.365 20 0 DEADHO CC(C)(C(=O)N[C@@H](C[NH2+]CCC1CC1)C1CC1)N1CCCC1 ZINC001276633543 1083525861 /nfs/dbraw/zinc/52/58/61/1083525861.db2.gz ILJOVKRHYCPYDV-INIZCTEOSA-N 1 3 307.482 2.145 20 0 DEADHO COC(=O)c1cc(F)ccc1CN1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001276989597 1083723044 /nfs/dbraw/zinc/72/30/44/1083723044.db2.gz JROFIXIDLWPSFE-OKILXGFUSA-N 1 3 320.408 2.386 20 0 DEADHO COC(=O)c1cc(F)ccc1CN1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001276989597 1083723052 /nfs/dbraw/zinc/72/30/52/1083723052.db2.gz JROFIXIDLWPSFE-OKILXGFUSA-N 1 3 320.408 2.386 20 0 DEADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCCN2C)C1 ZINC001413713723 1083893732 /nfs/dbraw/zinc/89/37/32/1083893732.db2.gz IWVIEZRZPUBFIS-HOTGVXAUSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCCN2C)C1 ZINC001413713723 1083893750 /nfs/dbraw/zinc/89/37/50/1083893750.db2.gz IWVIEZRZPUBFIS-HOTGVXAUSA-N 1 3 324.513 2.280 20 0 DEADHO Cc1cc(C)cc(C[NH2+][C@H]2C[C@H](NC(=O)CN(C)C(C)C)C2)c1 ZINC001490958341 1083972997 /nfs/dbraw/zinc/97/29/97/1083972997.db2.gz VYOYLRPYXGNAMU-IYARVYRRSA-N 1 3 317.477 2.380 20 0 DEADHO C[C@@H](F)CC[N@@H+]1CCC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001491109313 1084084208 /nfs/dbraw/zinc/08/42/08/1084084208.db2.gz HCGWJTVJOIWFGY-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H](F)CC[N@H+]1CCC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001491109313 1084084220 /nfs/dbraw/zinc/08/42/20/1084084220.db2.gz HCGWJTVJOIWFGY-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)CC[C@H](N)C(=O)N1C[C@@H](CC[NH3+])Cc2ccccc21 ZINC001649102457 1084118431 /nfs/dbraw/zinc/11/84/31/1084118431.db2.gz DZXPUZCZSHEUDQ-HOCLYGCPSA-N 1 3 303.450 2.304 20 0 DEADHO C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000721932791 1084123826 /nfs/dbraw/zinc/12/38/26/1084123826.db2.gz VIBCMWPIYDTIBP-IXIBIKRGSA-N 1 3 323.481 2.457 20 0 DEADHO C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000721932791 1084123829 /nfs/dbraw/zinc/12/38/29/1084123829.db2.gz VIBCMWPIYDTIBP-IXIBIKRGSA-N 1 3 323.481 2.457 20 0 DEADHO CCCCCCN(C)CC(=O)NCCC[NH2+]C[C@H](CC)OC ZINC001168606099 1084137129 /nfs/dbraw/zinc/13/71/29/1084137129.db2.gz CBMNJTMFPUNIAV-INIZCTEOSA-N 1 3 315.502 2.019 20 0 DEADHO Cn1cncc1N1CCC2(CCC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001277765825 1084137672 /nfs/dbraw/zinc/13/76/72/1084137672.db2.gz SNTZZHZJWDTKFH-UHFFFAOYSA-N 1 3 314.437 2.026 20 0 DEADHO Cn1cncc1N1CCC2(CCC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001277765825 1084137675 /nfs/dbraw/zinc/13/76/75/1084137675.db2.gz SNTZZHZJWDTKFH-UHFFFAOYSA-N 1 3 314.437 2.026 20 0 DEADHO Cn1cncc1N1CCC[C@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001277769487 1084138824 /nfs/dbraw/zinc/13/88/24/1084138824.db2.gz FTQWSIJSPRPZHS-QGZVFWFLSA-N 1 3 304.438 2.034 20 0 DEADHO Cn1cncc1N1CCC[C@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001277769487 1084138827 /nfs/dbraw/zinc/13/88/27/1084138827.db2.gz FTQWSIJSPRPZHS-QGZVFWFLSA-N 1 3 304.438 2.034 20 0 DEADHO CCCCCCN(C)CC(=O)NCCC[NH2+]C/C=C\Cl ZINC001168615382 1084183971 /nfs/dbraw/zinc/18/39/71/1084183971.db2.gz PRMOMBSHDAEWNE-CLFYSBASSA-N 1 3 303.878 2.347 20 0 DEADHO CCCCCCN(C)CC(=O)NCCC[NH2+]C/C=C/Cl ZINC001168615385 1084183989 /nfs/dbraw/zinc/18/39/89/1084183989.db2.gz PRMOMBSHDAEWNE-VQHVLOKHSA-N 1 3 303.878 2.347 20 0 DEADHO C[NH+]1CCC2(CN(Cc3cccc(N4CCOCC4)c3)C2)CC1 ZINC001235084341 1084303725 /nfs/dbraw/zinc/30/37/25/1084303725.db2.gz WKRJNLOAKBVTPQ-UHFFFAOYSA-N 1 3 315.461 2.051 20 0 DEADHO CCOC(=O)c1ccc(CCCN2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001235186087 1084338060 /nfs/dbraw/zinc/33/80/60/1084338060.db2.gz BMKUIRCCNAPRLT-MSOLQXFVSA-N 1 3 316.445 2.337 20 0 DEADHO Cc1ccc(F)cc1C[NH2+][C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001491478561 1084339077 /nfs/dbraw/zinc/33/90/77/1084339077.db2.gz QTNLXYUFMCMVIE-CQSZACIVSA-N 1 3 321.440 2.213 20 0 DEADHO CC/C=C\CCCN1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001235204740 1084342410 /nfs/dbraw/zinc/34/24/10/1084342410.db2.gz HZEJLAIKPQWOED-ARJAWSKDSA-N 1 3 320.481 2.206 20 0 DEADHO CCCCCCN1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001235206855 1084344909 /nfs/dbraw/zinc/34/49/09/1084344909.db2.gz XRAJMJFNLPLCQL-UHFFFAOYSA-N 1 3 308.470 2.040 20 0 DEADHO C[NH2+]CCCN1C[C@@H]2CC[C@H](C1)C2C(=O)Nc1cccc(F)c1 ZINC001235597706 1084475307 /nfs/dbraw/zinc/47/53/07/1084475307.db2.gz QBYYUNRYGKYRAM-VMZNBEPHSA-N 1 3 319.424 2.332 20 0 DEADHO CC[NH2+]CCN1CCN[C@@H](c2cccc(Br)c2)C1 ZINC001235793489 1084530800 /nfs/dbraw/zinc/53/08/00/1084530800.db2.gz IHRZAHUWOQTDEQ-CQSZACIVSA-N 1 3 312.255 2.005 20 0 DEADHO Fc1ccccc1CC1CC[NH+](CC[C@@H]2CNCCO2)CC1 ZINC001235866027 1084553023 /nfs/dbraw/zinc/55/30/23/1084553023.db2.gz FYPKRQYFJMGTJS-QGZVFWFLSA-N 1 3 306.425 2.459 20 0 DEADHO CN(CCN1CC[NH2+]CC1)Cc1ccc(OC(C)(C)C)cc1 ZINC001236083482 1084610014 /nfs/dbraw/zinc/61/00/14/1084610014.db2.gz RTQBFDCHNWTRHO-UHFFFAOYSA-N 1 3 305.466 2.201 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]([NH2+]CCC2CC2)C12CCC2 ZINC001078794512 1084897775 /nfs/dbraw/zinc/89/77/75/1084897775.db2.gz IINQLGGYVFVMMH-JKSUJKDBSA-N 1 3 316.449 2.078 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(F)c1)N(C)C ZINC001485920634 1084985997 /nfs/dbraw/zinc/98/59/97/1084985997.db2.gz RQBWVJMVRVULFA-WMLDXEAASA-N 1 3 323.456 2.348 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CCCCCF)CN1C(=O)CN(C)C1CCC1 ZINC001486117039 1085074660 /nfs/dbraw/zinc/07/46/60/1085074660.db2.gz XZDXVLCVJYLWHQ-LSDHHAIUSA-N 1 3 313.461 2.190 20 0 DEADHO CC[NH2+][C@@H](CCNC(=O)CN1CC[C@H](C)C1)Cc1ccccc1 ZINC001486187735 1085115804 /nfs/dbraw/zinc/11/58/04/1085115804.db2.gz BSVMGMBSNNNSFP-WMZOPIPTSA-N 1 3 317.477 2.055 20 0 DEADHO C[C@H]1CCN(CC(=O)NC2CC3(C2)CC([NH2+]CC2CCC2)C3)C1 ZINC000965062324 1085510973 /nfs/dbraw/zinc/51/09/73/1085510973.db2.gz IFSWXAYAXAFZHI-SZVPOOPASA-N 1 3 319.493 2.145 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC2CC3(C2)CC([NH2+]CCC2CC2)C3)C1 ZINC000965065732 1085511724 /nfs/dbraw/zinc/51/17/24/1085511724.db2.gz ZQIKQWJIIWFQFN-AEGNVBMISA-N 1 3 319.493 2.145 20 0 DEADHO CC(C)[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961185787 1085627770 /nfs/dbraw/zinc/62/77/70/1085627770.db2.gz QCEGTEDQECQLEM-SJORKVTESA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961185787 1085627777 /nfs/dbraw/zinc/62/77/77/1085627777.db2.gz QCEGTEDQECQLEM-SJORKVTESA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CC2)CC1(C)C)N(CC)CC ZINC001410029501 1087815743 /nfs/dbraw/zinc/81/57/43/1087815743.db2.gz QULSXLDHLOPIOQ-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CC2)CC1(C)C)N(CC)CC ZINC001410029501 1087815770 /nfs/dbraw/zinc/81/57/70/1087815770.db2.gz QULSXLDHLOPIOQ-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N2CCN(CC3CCCC3)CC2)CC1 ZINC000957032050 1087973339 /nfs/dbraw/zinc/97/33/39/1087973339.db2.gz RCMBXZHJZTYLTD-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCN(CC3CCCCCC3)CC2)C1 ZINC000957328080 1088178635 /nfs/dbraw/zinc/17/86/35/1088178635.db2.gz FOOWBDAPVUFETI-SFHVURJKSA-N 1 3 321.509 2.443 20 0 DEADHO C[N@H+]1CC[C@@H](CC(=O)N2CCN(CC3CCCCCC3)CC2)C1 ZINC000957328080 1088178648 /nfs/dbraw/zinc/17/86/48/1088178648.db2.gz FOOWBDAPVUFETI-SFHVURJKSA-N 1 3 321.509 2.443 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001079681283 1088313005 /nfs/dbraw/zinc/31/30/05/1088313005.db2.gz FJNXRPYKYRZQTP-ZACQAIPSSA-N 1 3 307.482 2.262 20 0 DEADHO CC(C)=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001079681283 1088313023 /nfs/dbraw/zinc/31/30/23/1088313023.db2.gz FJNXRPYKYRZQTP-ZACQAIPSSA-N 1 3 307.482 2.262 20 0 DEADHO CC[C@H](C(=O)N1CCC(C[N@H+](CC)CC2CC2)CC1)N(C)C ZINC000957725615 1088578508 /nfs/dbraw/zinc/57/85/08/1088578508.db2.gz BEAQAUXXZINNPV-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C(=O)N1CCC(C[N@@H+](CC)CC2CC2)CC1)N(C)C ZINC000957725615 1088578522 /nfs/dbraw/zinc/57/85/22/1088578522.db2.gz BEAQAUXXZINNPV-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO CCCN1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC001084406586 1090291537 /nfs/dbraw/zinc/29/15/37/1090291537.db2.gz SZYNLGOEPOHQLD-BPQIPLTHSA-N 1 3 319.493 2.336 20 0 DEADHO CCCN1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC001084406586 1090291541 /nfs/dbraw/zinc/29/15/41/1090291541.db2.gz SZYNLGOEPOHQLD-BPQIPLTHSA-N 1 3 319.493 2.336 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001084571959 1090333401 /nfs/dbraw/zinc/33/34/01/1090333401.db2.gz NIKIUPCFAPLVSN-HZPDHXFCSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001084571959 1090333408 /nfs/dbraw/zinc/33/34/08/1090333408.db2.gz NIKIUPCFAPLVSN-HZPDHXFCSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001410312826 1090540777 /nfs/dbraw/zinc/54/07/77/1090540777.db2.gz MOOHCURJBQDGHO-LSDHHAIUSA-N 1 3 313.461 2.045 20 0 DEADHO CCc1ccccc1C[NH2+]CCN(CC)C(=O)[C@@H]1CCCN1C ZINC001273297823 1090782354 /nfs/dbraw/zinc/78/23/54/1090782354.db2.gz CITVXIWBFWNLRV-SFHVURJKSA-N 1 3 317.477 2.281 20 0 DEADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCCN3CCCC(C)(C)C3)C[N@@H+]2C1 ZINC001412081298 1091140459 /nfs/dbraw/zinc/14/04/59/1091140459.db2.gz XGVHVINPHOUARL-IKGGRYGDSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCCN3CCCC(C)(C)C3)C[N@H+]2C1 ZINC001412081298 1091140463 /nfs/dbraw/zinc/14/04/63/1091140463.db2.gz XGVHVINPHOUARL-IKGGRYGDSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H](NC(=O)CC[NH+](C)C)C1CCN(Cc2ccsc2)CC1 ZINC001411232241 1091446226 /nfs/dbraw/zinc/44/62/26/1091446226.db2.gz UADVGASFGARWKQ-CQSZACIVSA-N 1 3 323.506 2.417 20 0 DEADHO Cc1cc(C[NH2+]C2CC(N(C)C(=O)CN(C)C(C)C)C2)cs1 ZINC001411256488 1091481043 /nfs/dbraw/zinc/48/10/43/1091481043.db2.gz XUCVHTXKCHMFAG-UHFFFAOYSA-N 1 3 323.506 2.476 20 0 DEADHO COCCC[NH+]1CCC2(CCN(Cc3cc(C)nn3C)C2)CC1 ZINC001274939328 1091483692 /nfs/dbraw/zinc/48/36/92/1091483692.db2.gz HDKQVCVLQGDRMF-UHFFFAOYSA-N 1 3 320.481 2.053 20 0 DEADHO COCC[NH+]1CCC2(CCCN(Cc3cccc(=O)[nH]3)C2)CC1 ZINC001274981379 1091498979 /nfs/dbraw/zinc/49/89/79/1091498979.db2.gz DNAVAIJVRRZSHI-UHFFFAOYSA-N 1 3 319.449 2.112 20 0 DEADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](C[C@@H]1CC=CCC1)CC2 ZINC001275040925 1091527793 /nfs/dbraw/zinc/52/77/93/1091527793.db2.gz WORPEOJLUFJKLJ-QGZVFWFLSA-N 1 3 319.493 2.219 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(C2CCCC2)[C@H](C)C1 ZINC001412610734 1091584744 /nfs/dbraw/zinc/58/47/44/1091584744.db2.gz LTLHHHWHGVJODZ-OWCLPIDISA-N 1 3 307.482 2.335 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN(C2CCCC2)[C@H](C)C1 ZINC001412610734 1091584750 /nfs/dbraw/zinc/58/47/50/1091584750.db2.gz LTLHHHWHGVJODZ-OWCLPIDISA-N 1 3 307.482 2.335 20 0 DEADHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3ccco3)(C1)CCC2 ZINC001275235950 1091627983 /nfs/dbraw/zinc/62/79/83/1091627983.db2.gz JIZVWWBXDYLZBO-SJORKVTESA-N 1 3 308.422 2.425 20 0 DEADHO Cc1ccc(C)c(CN2CC3(C2)CC[N@@H+](CCN(C)C)C3)c1 ZINC001275292279 1091654862 /nfs/dbraw/zinc/65/48/62/1091654862.db2.gz WIIIPTPSFBVFES-UHFFFAOYSA-N 1 3 301.478 2.373 20 0 DEADHO Cc1ccc(C)c(CN2CC3(C2)CC[N@H+](CCN(C)C)C3)c1 ZINC001275292279 1091654867 /nfs/dbraw/zinc/65/48/67/1091654867.db2.gz WIIIPTPSFBVFES-UHFFFAOYSA-N 1 3 301.478 2.373 20 0 DEADHO CN(C)CC[N@@H+]1CCC2(CN(Cc3cccc4ccncc43)C2)C1 ZINC001275319955 1091667231 /nfs/dbraw/zinc/66/72/31/1091667231.db2.gz YMALVLXQZORGRH-UHFFFAOYSA-N 1 3 324.472 2.304 20 0 DEADHO CN(C)CC[N@H+]1CCC2(CN(Cc3cccc4ccncc43)C2)C1 ZINC001275319955 1091667237 /nfs/dbraw/zinc/66/72/37/1091667237.db2.gz YMALVLXQZORGRH-UHFFFAOYSA-N 1 3 324.472 2.304 20 0 DEADHO Brc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC13CNC3)CC2 ZINC001246442947 1091720595 /nfs/dbraw/zinc/72/05/95/1091720595.db2.gz FGVKZIHBTWOTQE-KGLIPLIRSA-N 1 3 307.235 2.258 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCCN2CCC(C)(C)C2)C1 ZINC001411575229 1091885533 /nfs/dbraw/zinc/88/55/33/1091885533.db2.gz BEZROPMZLCYFBY-QGZVFWFLSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCCN2CCC(C)(C)C2)C1 ZINC001411575229 1091885539 /nfs/dbraw/zinc/88/55/39/1091885539.db2.gz BEZROPMZLCYFBY-QGZVFWFLSA-N 1 3 313.461 2.047 20 0 DEADHO CCN(CC[NH2+]Cc1cc(C)cc(C)c1)C(=O)[C@H]1CCCN1C ZINC001273545580 1091915471 /nfs/dbraw/zinc/91/54/71/1091915471.db2.gz CCCIFWPEEIGDAO-GOSISDBHSA-N 1 3 317.477 2.336 20 0 DEADHO CCN(CC[NH2+]CCCc1ccccc1)C(=O)[C@H]1CCCN1C ZINC001273545835 1091915884 /nfs/dbraw/zinc/91/58/84/1091915884.db2.gz FJEKYAVUIXIHIR-GOSISDBHSA-N 1 3 317.477 2.152 20 0 DEADHO C[NH+](C)CCN1CC[C@]2(C1)CCCN(Cc1cccnc1F)C2 ZINC001275650553 1091945674 /nfs/dbraw/zinc/94/56/74/1091945674.db2.gz QIVMDZAJXWRHGV-SFHVURJKSA-N 1 3 320.456 2.070 20 0 DEADHO CC(C)CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001190653496 1091950809 /nfs/dbraw/zinc/95/08/09/1091950809.db2.gz CYVMCLAFWHRFBL-IRXDYDNUSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001190653496 1091950818 /nfs/dbraw/zinc/95/08/18/1091950818.db2.gz CYVMCLAFWHRFBL-IRXDYDNUSA-N 1 3 309.498 2.296 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)C1CC[NH+](CC2CC2)CC1 ZINC001006444496 1092186627 /nfs/dbraw/zinc/18/66/27/1092186627.db2.gz URFZNTXPTSELSB-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO Nc1nccnc1CN1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001275895793 1092280050 /nfs/dbraw/zinc/28/00/50/1092280050.db2.gz XUULIQYJRFPYNS-GASCZTMLSA-N 1 3 315.465 2.145 20 0 DEADHO Nc1nccnc1CN1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001275895793 1092280060 /nfs/dbraw/zinc/28/00/60/1092280060.db2.gz XUULIQYJRFPYNS-GASCZTMLSA-N 1 3 315.465 2.145 20 0 DEADHO CC1CC(C[NH2+][C@@H]2CC[C@H](CNC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001488916598 1092815836 /nfs/dbraw/zinc/81/58/36/1092815836.db2.gz YSRUTPNIVPOSPB-ODZFXCKXSA-N 1 3 321.509 2.391 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[N@H+](C)CC2CC(C)(C)C2)C1 ZINC001490250807 1093261527 /nfs/dbraw/zinc/26/15/27/1093261527.db2.gz QCWKCXWXBKOGTK-HNNXBMFYSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001490250807 1093261532 /nfs/dbraw/zinc/26/15/32/1093261532.db2.gz QCWKCXWXBKOGTK-HNNXBMFYSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[N@H+](C)CC2CC(C)(C)C2)C1 ZINC001490250808 1093262455 /nfs/dbraw/zinc/26/24/55/1093262455.db2.gz QCWKCXWXBKOGTK-OAHLLOKOSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001490250808 1093262460 /nfs/dbraw/zinc/26/24/60/1093262460.db2.gz QCWKCXWXBKOGTK-OAHLLOKOSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]C/C=C/Cl)CCN1C(=O)CN(C)C1CCC1 ZINC001421102254 1171495086 /nfs/dbraw/zinc/49/50/86/1171495086.db2.gz NCKRGZCQNIHVQA-RFHLNLMPSA-N 1 3 313.873 2.192 20 0 DEADHO CN(C)[C@H](CNC(=O)[C@@H]1C[C@@H]1C1CC[NH2+]CC1)c1ccccc1 ZINC000353006669 1138316189 /nfs/dbraw/zinc/31/61/89/1138316189.db2.gz XMSCUETWLYZJQY-KZNAEPCWSA-N 1 3 315.461 2.041 20 0 DEADHO C[NH+](C)CCN1CCN(Cc2cccc3ccoc32)CCC1=O ZINC001236735947 1138404734 /nfs/dbraw/zinc/40/47/34/1138404734.db2.gz QYQRJLAWNNDKBF-UHFFFAOYSA-N 1 3 315.417 2.029 20 0 DEADHO CCOC(=O)[C@H]1CN(Cc2c(C)cccc2F)CCC12C[NH2+]C2 ZINC001237429639 1138620862 /nfs/dbraw/zinc/62/08/62/1138620862.db2.gz GKWIHANRKKXSSF-OAHLLOKOSA-N 1 3 320.408 2.109 20 0 DEADHO [NH3+][C@H](Cc1ccccc1)CN1CC[C@H](N2CCCCC2)[C@@H](F)C1 ZINC001237454732 1138637010 /nfs/dbraw/zinc/63/70/10/1138637010.db2.gz JVEREYFDXOMTAT-QYZOEREBSA-N 1 3 319.468 2.455 20 0 DEADHO C[C@H](NC(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1)C1CCCCC1 ZINC001239214296 1138988383 /nfs/dbraw/zinc/98/83/83/1138988383.db2.gz GOMFPONFIYKAQH-GOEBONIOSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H](NC(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1)C1CCCCC1 ZINC001239214298 1138988513 /nfs/dbraw/zinc/98/85/13/1138988513.db2.gz GOMFPONFIYKAQH-HOCLYGCPSA-N 1 3 322.497 2.129 20 0 DEADHO Cc1ccc(NC(=O)NC[C@H]2CCC3(CCNCC3)[NH2+]2)c(C)c1 ZINC001239216577 1138991755 /nfs/dbraw/zinc/99/17/55/1138991755.db2.gz OKIKSMUNEBXJTH-OAHLLOKOSA-N 1 3 316.449 2.299 20 0 DEADHO Cc1ccccc1NC(=S)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239364411 1139029436 /nfs/dbraw/zinc/02/94/36/1139029436.db2.gz XIOVKLYPNLRKOB-CQSZACIVSA-N 1 3 318.490 2.156 20 0 DEADHO CN(C)c1ccnc(-c2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC001241767396 1139850172 /nfs/dbraw/zinc/85/01/72/1139850172.db2.gz SAFQGWRAOFHART-UHFFFAOYSA-N 1 3 312.417 2.106 20 0 DEADHO C[C@]1(C[NH3+])CCCCN(C[C@H](O)COc2cccc(F)c2)C1 ZINC001246018310 1140846419 /nfs/dbraw/zinc/84/64/19/1140846419.db2.gz ASWZRNRUTGHTQT-DOTOQJQBSA-N 1 3 310.413 2.016 20 0 DEADHO CCCC[C@H](CC)COC[C@H](O)CN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001246018491 1140847530 /nfs/dbraw/zinc/84/75/30/1140847530.db2.gz DSMBZHMONYSRFK-XLAORIBOSA-N 1 3 314.514 2.497 20 0 DEADHO O[C@@]1(CN2CCC(Cc3ccc(F)cc3F)CC2)CCC[NH2+]C1 ZINC001246049967 1140853878 /nfs/dbraw/zinc/85/38/78/1140853878.db2.gz UGUBCDWGVJTCKN-SFHVURJKSA-N 1 3 324.415 2.334 20 0 DEADHO O[C@@]1(C[NH+]2CCC(Cc3ccc(F)cc3F)CC2)CCCNC1 ZINC001246049967 1140853879 /nfs/dbraw/zinc/85/38/79/1140853879.db2.gz UGUBCDWGVJTCKN-SFHVURJKSA-N 1 3 324.415 2.334 20 0 DEADHO N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001246058424 1140855580 /nfs/dbraw/zinc/85/55/80/1140855580.db2.gz WGUGXTHWCGOZIA-QHAWAJNXSA-N 1 3 324.468 2.482 20 0 DEADHO N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001246058424 1140855581 /nfs/dbraw/zinc/85/55/81/1140855581.db2.gz WGUGXTHWCGOZIA-QHAWAJNXSA-N 1 3 324.468 2.482 20 0 DEADHO COc1ccc(CN2CCC([NH2+][C@@H]3CCCNC3)CC2)cc1 ZINC001246173309 1140870047 /nfs/dbraw/zinc/87/00/47/1140870047.db2.gz SMSOMKAIYQMMAL-QGZVFWFLSA-N 1 3 303.450 2.001 20 0 DEADHO COc1cccc(CN2CCC([NH2+][C@H]3CC[C@@H](C)NC3)CC2)c1 ZINC001246348320 1140886601 /nfs/dbraw/zinc/88/66/01/1140886601.db2.gz FJFFBVUIKPKGBM-QAPCUYQASA-N 1 3 317.477 2.390 20 0 DEADHO Fc1cccc(CN2CCC([NH2+]C3CCNCC3)CC2)c1F ZINC001246355444 1140887546 /nfs/dbraw/zinc/88/75/46/1140887546.db2.gz OINBZBDMVZLTPC-UHFFFAOYSA-N 1 3 309.404 2.271 20 0 DEADHO Fc1ccc(CN2CCC([NH2+]C3CCNCC3)CC2)c(F)c1 ZINC001246353747 1140887687 /nfs/dbraw/zinc/88/76/87/1140887687.db2.gz DUZVALAKMRAWJX-UHFFFAOYSA-N 1 3 309.404 2.271 20 0 DEADHO COc1ccc(CN2CCC([NH2+][C@H]3CCCNC3)CC2)cc1F ZINC001246359877 1140887847 /nfs/dbraw/zinc/88/78/47/1140887847.db2.gz DHSLYTRXIXPXRY-INIZCTEOSA-N 1 3 321.440 2.140 20 0 DEADHO COc1ccc(CN2CCC(N[C@H]3CCC[NH2+]C3)CC2)cc1F ZINC001246359877 1140887848 /nfs/dbraw/zinc/88/78/48/1140887848.db2.gz DHSLYTRXIXPXRY-INIZCTEOSA-N 1 3 321.440 2.140 20 0 DEADHO Cc1ccc(CN2CCC(N[C@H]3CCC[NH2+]C3)CC2)c(F)c1 ZINC001246365522 1140888932 /nfs/dbraw/zinc/88/89/32/1140888932.db2.gz YGDFHCPQXSYEGK-KRWDZBQOSA-N 1 3 305.441 2.440 20 0 DEADHO CCc1ccc(C[NH2+]CCN(CC)C(=O)[C@@H]2CCCN2C)cc1 ZINC001320694406 1140895821 /nfs/dbraw/zinc/89/58/21/1140895821.db2.gz KUJJOJPTMGVBLB-SFHVURJKSA-N 1 3 317.477 2.281 20 0 DEADHO COC(=O)c1ccc(C[C@@H](C)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001246611527 1141002806 /nfs/dbraw/zinc/00/28/06/1141002806.db2.gz UWPLGHIFWYNVPL-BEFAXECRSA-N 1 3 316.445 2.480 20 0 DEADHO C[C@H](Cc1ccc(F)cc1)N1CCNC[C@]2(CCCC[NH2+]2)C1 ZINC001246633233 1141015310 /nfs/dbraw/zinc/01/53/10/1141015310.db2.gz NETSAXHMENGMBR-CRAIPNDOSA-N 1 3 305.441 2.174 20 0 DEADHO CCOC(=O)c1ccc(C[C@@H](C)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001246665442 1141028932 /nfs/dbraw/zinc/02/89/32/1141028932.db2.gz HIINSSHOUXCHOH-ZTFGCOKTSA-N 1 3 316.445 2.336 20 0 DEADHO COCC[C@@H]1CO[C@]2(C1)CCCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246717451 1141043581 /nfs/dbraw/zinc/04/35/81/1141043581.db2.gz IREMQPNDJLDCHF-AQDBYXPISA-N 1 3 308.466 2.177 20 0 DEADHO CC[C@@H]1C[C@@H](N2C[C@@H]3CC[C@H](C2)C3C(=O)OC)C[C@H](CC)[NH2+]1 ZINC001246828177 1141076530 /nfs/dbraw/zinc/07/65/30/1141076530.db2.gz ZGWXGNPNEUHASK-DDVZNRJRSA-N 1 3 308.466 2.427 20 0 DEADHO CC[C@@H]1C[C@H](N2C[C@@H]3CC[C@H](C2)C3C(=O)OC)C[C@H](CC)[NH2+]1 ZINC001246828178 1141078037 /nfs/dbraw/zinc/07/80/37/1141078037.db2.gz ZGWXGNPNEUHASK-FLBPKRMOSA-N 1 3 308.466 2.427 20 0 DEADHO FC(F)(F)[C@H]1CNCCN1[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246985770 1141217478 /nfs/dbraw/zinc/21/74/78/1141217478.db2.gz CAEMDWMGCKQMTB-QWHCGFSZSA-N 1 3 305.388 2.277 20 0 DEADHO FC(F)(F)[C@@H]1CNCCN1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246990992 1141223749 /nfs/dbraw/zinc/22/37/49/1141223749.db2.gz OQKPIPXFDBBPNB-MOKVOYLWSA-N 1 3 305.388 2.135 20 0 DEADHO Cc1ccc(-c2noc([C@H]3CNCC34C[NH2+]C4)n2)c2ccccc12 ZINC001247831549 1141544497 /nfs/dbraw/zinc/54/44/97/1141544497.db2.gz UFPYQHCWXSHWFN-MRXNPFEDSA-N 1 3 320.396 2.475 20 0 DEADHO Cc1ccc(F)c(C[NH2+]CCCN(C)C(=O)[C@H]2CCCN2C)c1 ZINC001322649020 1141665657 /nfs/dbraw/zinc/66/56/57/1141665657.db2.gz RMCDGZPYEWDDFT-QGZVFWFLSA-N 1 3 321.440 2.166 20 0 DEADHO CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001278556580 1142096481 /nfs/dbraw/zinc/09/64/81/1142096481.db2.gz SDJLIBAZLPCXPP-AEFFLSMTSA-N 1 3 309.498 2.488 20 0 DEADHO CN1CCN(c2cc[nH+]cc2Nc2ccc3cncn3c2)CC1 ZINC001250327907 1142152385 /nfs/dbraw/zinc/15/23/85/1142152385.db2.gz GEXKRENEPIRZRQ-UHFFFAOYSA-N 1 3 308.389 2.225 20 0 DEADHO CC(C)N1CC[C@@H]([NH2+]C[C@H](O)COc2ccc(F)cc2)[C@H](C)C1 ZINC001251953100 1142563401 /nfs/dbraw/zinc/56/34/01/1142563401.db2.gz RJCOSDOKYQAACR-UWWQBHOKSA-N 1 3 324.440 2.274 20 0 DEADHO CCCC[C@H](O)CN1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001252085229 1142630286 /nfs/dbraw/zinc/63/02/86/1142630286.db2.gz FYNQLDIFUQHVHK-CEXWTWQISA-N 1 3 324.509 2.218 20 0 DEADHO CCCC[C@H](O)CN1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001252085229 1142630295 /nfs/dbraw/zinc/63/02/95/1142630295.db2.gz FYNQLDIFUQHVHK-CEXWTWQISA-N 1 3 324.509 2.218 20 0 DEADHO CCCC[C@H](O)C[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001252112278 1142645761 /nfs/dbraw/zinc/64/57/61/1142645761.db2.gz MDEHKAQZJPXTHB-IBGZPJMESA-N 1 3 319.493 2.075 20 0 DEADHO O[C@H](C[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1)c1ccc(F)cc1 ZINC001252866808 1142825239 /nfs/dbraw/zinc/82/52/39/1142825239.db2.gz FQMPWLGLHKICDO-KZNAEPCWSA-N 1 3 322.424 2.092 20 0 DEADHO CC[NH+](CC)C[C@@H](O)CN[C@@H]1CCc2ccc(Cl)cc2C1 ZINC001253209988 1142854547 /nfs/dbraw/zinc/85/45/47/1142854547.db2.gz KHTJHTRQMNOLNM-SJORKVTESA-N 1 3 310.869 2.490 20 0 DEADHO CCN(CC)C[C@H](O)C[NH2+]C1(Cc2ccccc2OC)CC1 ZINC001253215273 1142855288 /nfs/dbraw/zinc/85/52/88/1142855288.db2.gz WPWLDMXMKBLTQF-MRXNPFEDSA-N 1 3 306.450 2.063 20 0 DEADHO CC[NH+](CC)CCCNC[C@H](O)CCOCc1ccccc1 ZINC001253259328 1142858043 /nfs/dbraw/zinc/85/80/43/1142858043.db2.gz UEBKHWKMFVVFOZ-GOSISDBHSA-N 1 3 308.466 2.276 20 0 DEADHO CC(C)(C)[NH2+]C[C@@H](O)CNC1(Cc2ccccc2)CCOCC1 ZINC001253411782 1142870370 /nfs/dbraw/zinc/87/03/70/1142870370.db2.gz WRBORAUXRXCFTK-QGZVFWFLSA-N 1 3 320.477 2.117 20 0 DEADHO COC(=O)C[C@H]([NH2+][C@H]1CCCN(C)CC1)c1ccc(O)cc1 ZINC001254507417 1143155000 /nfs/dbraw/zinc/15/50/00/1143155000.db2.gz BQTITUPHNBFKBW-HOCLYGCPSA-N 1 3 306.406 2.070 20 0 DEADHO C[N@@H+]1CCC[C@H](N2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)CC1 ZINC001254521745 1143190333 /nfs/dbraw/zinc/19/03/33/1143190333.db2.gz WUCKELBLOMVPMW-OWCLPIDISA-N 1 3 323.481 2.412 20 0 DEADHO C[N@H+]1CCC[C@H](N2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)CC1 ZINC001254521745 1143190346 /nfs/dbraw/zinc/19/03/46/1143190346.db2.gz WUCKELBLOMVPMW-OWCLPIDISA-N 1 3 323.481 2.412 20 0 DEADHO C[C@@H](CN)C[N@H+](C)[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254765981 1143321613 /nfs/dbraw/zinc/32/16/13/1143321613.db2.gz BSFGJNHWAWXURV-UONOGXRCSA-N 1 3 311.470 2.303 20 0 DEADHO C[C@@H](CN)C[N@@H+](C)[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254765981 1143321621 /nfs/dbraw/zinc/32/16/21/1143321621.db2.gz BSFGJNHWAWXURV-UONOGXRCSA-N 1 3 311.470 2.303 20 0 DEADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CN(C)C3)CC1)C2 ZINC001255215884 1143509601 /nfs/dbraw/zinc/50/96/01/1143509601.db2.gz YROXBCUHJWRIBG-ZSHCYNCHSA-N 1 3 321.465 2.166 20 0 DEADHO Cc1cc(CN(C)C)cc(NC(=O)CCSCCC[NH3+])c1 ZINC001340987248 1143516967 /nfs/dbraw/zinc/51/69/67/1143516967.db2.gz SBYGUSWUYJGAER-UHFFFAOYSA-N 1 3 309.479 2.467 20 0 DEADHO CN(Cc1ccccc1F)C1CC[NH+]([C@H]2CCN(C)C2)CC1 ZINC001255441231 1143630043 /nfs/dbraw/zinc/63/00/43/1143630043.db2.gz MHXZWIMYAZNWCP-KRWDZBQOSA-N 1 3 305.441 2.426 20 0 DEADHO CN1CC[C@@]2(CC[N@@H+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001255606515 1143778046 /nfs/dbraw/zinc/77/80/46/1143778046.db2.gz CRAVYSCMPPNKTD-WMLDXEAASA-N 1 3 309.454 2.023 20 0 DEADHO CN1CC[C@@]2(CC[N@H+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001255606515 1143778055 /nfs/dbraw/zinc/77/80/55/1143778055.db2.gz CRAVYSCMPPNKTD-WMLDXEAASA-N 1 3 309.454 2.023 20 0 DEADHO CN(C)C[C@H](NC(=O)/C=C\[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC001342281279 1143808993 /nfs/dbraw/zinc/80/89/93/1143808993.db2.gz QXSWRPXWLNOUDS-QQHDIXKGSA-N 1 3 319.424 2.100 20 0 DEADHO CC(C)N1CCN(CC[NH2+][C@H](C)Cc2ccccc2F)CC1 ZINC001255836251 1143810091 /nfs/dbraw/zinc/81/00/91/1143810091.db2.gz OFUADOCQPBRLCT-MRXNPFEDSA-N 1 3 307.457 2.372 20 0 DEADHO CCOC(=O)[C@H]1CCN(C2CC[NH+](C(C)(C)C)CC2)CCC1=O ZINC001256572187 1143854517 /nfs/dbraw/zinc/85/45/17/1143854517.db2.gz PGYJREMTYLXONF-HNNXBMFYSA-N 1 3 324.465 2.094 20 0 DEADHO c1cn2c(n1)CC[N@H+](C1CCN(Cc3ccccc3)CC1)CC2 ZINC001256609952 1143857289 /nfs/dbraw/zinc/85/72/89/1143857289.db2.gz VKTDGDQOEHCLOB-UHFFFAOYSA-N 1 3 310.445 2.406 20 0 DEADHO c1cn2c(n1)CC[N@@H+](C1CCN(Cc3ccccc3)CC1)CC2 ZINC001256609952 1143857290 /nfs/dbraw/zinc/85/72/90/1143857290.db2.gz VKTDGDQOEHCLOB-UHFFFAOYSA-N 1 3 310.445 2.406 20 0 DEADHO [NH3+][C@H]1Cc2ccccc2N(C2CCC(N3CCOCC3)CC2)C1 ZINC001256676646 1143861614 /nfs/dbraw/zinc/86/16/14/1143861614.db2.gz GGJDPEOBYAMNEJ-AOCRQIFASA-N 1 3 315.461 2.020 20 0 DEADHO CC(C)n1cncc1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256681588 1143861792 /nfs/dbraw/zinc/86/17/92/1143861792.db2.gz XZKNJTTWCMSXQW-UHFFFAOYSA-N 1 3 306.454 2.197 20 0 DEADHO CC1(C)C[C@H](C[NH2+]C2CCC(N3CCOCC3)CC2)CCO1 ZINC001256680745 1143861905 /nfs/dbraw/zinc/86/19/05/1143861905.db2.gz BWNXAQHTELBMJN-KLAILNCOSA-N 1 3 310.482 2.425 20 0 DEADHO c1ccc2c(c1)COC[C@@H]2[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256685059 1143862152 /nfs/dbraw/zinc/86/21/52/1143862152.db2.gz XNELXCPSRNIOGY-TVPLGVNVSA-N 1 3 316.445 2.491 20 0 DEADHO Clc1cncc(CNC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC001256850370 1143870465 /nfs/dbraw/zinc/87/04/65/1143870465.db2.gz AGKIWOBJTXSYIJ-UHFFFAOYSA-N 1 3 303.797 2.284 20 0 DEADHO CC(C)[NH+]1CCC(N2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)CC1 ZINC001257224165 1143894687 /nfs/dbraw/zinc/89/46/87/1143894687.db2.gz QLJQLMHRZMFVRC-ZBFHGGJFSA-N 1 3 323.481 2.410 20 0 DEADHO OCC1CCN(C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258142793 1143978111 /nfs/dbraw/zinc/97/81/11/1143978111.db2.gz LCUHIQUEVDANOS-UHFFFAOYSA-N 1 3 302.462 2.398 20 0 DEADHO CCC[NH+]1CCC(N[C@H]2CCN(Cc3ccncc3)C2)CC1 ZINC001258770199 1144039499 /nfs/dbraw/zinc/03/94/99/1144039499.db2.gz UFDXCDXUGIUVKR-SFHVURJKSA-N 1 3 302.466 2.120 20 0 DEADHO CCOC(=O)c1c(CN)ncn1[C@H](C)CCC[NH+](CC)CC ZINC001258897503 1144052330 /nfs/dbraw/zinc/05/23/30/1144052330.db2.gz LQORDXIBXLGWJP-CYBMUJFWSA-N 1 3 310.442 2.202 20 0 DEADHO N[C@@H](Cc1ccccc1)C(=O)NCCCCCC1CC[NH2+]CC1 ZINC001263191683 1144360520 /nfs/dbraw/zinc/36/05/20/1144360520.db2.gz WNNFGTWALDJDIU-SFHVURJKSA-N 1 3 317.477 2.233 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1)N(C)C ZINC001263849590 1144410793 /nfs/dbraw/zinc/41/07/93/1144410793.db2.gz OUHVVYFOZGDPMF-BBWFWOEESA-N 1 3 307.482 2.311 20 0 DEADHO CC(C)C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001263954842 1144431601 /nfs/dbraw/zinc/43/16/01/1144431601.db2.gz CVZDEFPEAHSZCI-GDBMZVCRSA-N 1 3 306.454 2.215 20 0 DEADHO CC/C=C\CCN1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001265292684 1144684896 /nfs/dbraw/zinc/68/48/96/1144684896.db2.gz QQJDEHSJSXOUHZ-QGZUEGPWSA-N 1 3 305.466 2.162 20 0 DEADHO CC(C)(C(=O)NC[C@H]([NH2+]CCCF)C1CC1)N1CCCCC1 ZINC001265356227 1144697777 /nfs/dbraw/zinc/69/77/77/1144697777.db2.gz KAJDPRJBGZGEJF-HNNXBMFYSA-N 1 3 313.461 2.095 20 0 DEADHO CC(C)(C(=O)NC[C@@H]([NH2+]CCCF)C1CC1)N1CCCCC1 ZINC001265356228 1144697935 /nfs/dbraw/zinc/69/79/35/1144697935.db2.gz KAJDPRJBGZGEJF-OAHLLOKOSA-N 1 3 313.461 2.095 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001265448036 1144704621 /nfs/dbraw/zinc/70/46/21/1144704621.db2.gz HTXLWPXIKBZTCV-LYLYKKCESA-N 1 3 324.428 2.246 20 0 DEADHO CCC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001265568445 1144712564 /nfs/dbraw/zinc/71/25/64/1144712564.db2.gz XCTDUBIVBFLNNL-FKZIUMHTSA-N 1 3 304.438 2.244 20 0 DEADHO C[C@@H]1CCC[C@@](CNC(=O)N(C)[C@H]2CCCN(C)C2)([NH+](C)C)C1 ZINC001364507062 1145304601 /nfs/dbraw/zinc/30/46/01/1145304601.db2.gz GAULDTZAJJFQKZ-SOLBZPMBSA-N 1 3 324.513 2.233 20 0 DEADHO Cc1cc(C)cc(CNC2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC001364566381 1145347579 /nfs/dbraw/zinc/34/75/79/1145347579.db2.gz CJDHOTOHAXODNX-UHFFFAOYSA-N 1 3 317.477 2.336 20 0 DEADHO C[NH+](C)CCOc1ccc(CNCc2cccc(CO)c2)cc1 ZINC001364600219 1145369913 /nfs/dbraw/zinc/36/99/13/1145369913.db2.gz TZCCKVOGPUQJCF-UHFFFAOYSA-N 1 3 314.429 2.409 20 0 DEADHO CCO[C@H](CNC1CC(c2cccc(OC)c2)C1)C[NH+](C)C ZINC001364724362 1145508111 /nfs/dbraw/zinc/50/81/11/1145508111.db2.gz LYOMDSHVVOOYQE-LEOMRAHMSA-N 1 3 306.450 2.498 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+][C@@H]2COC[C@@H]2C2CC2)CC1 ZINC001364772702 1145554043 /nfs/dbraw/zinc/55/40/43/1145554043.db2.gz RUILKEMOZKJQPG-QLOLRVAOSA-N 1 3 308.466 2.035 20 0 DEADHO Cc1cc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)cc(C)n1 ZINC001364959019 1145712369 /nfs/dbraw/zinc/71/23/69/1145712369.db2.gz FIDPFZAEXHGNFV-UHFFFAOYSA-N 1 3 316.493 2.158 20 0 DEADHO CC[C@@H](F)CN[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC1(C)C ZINC001284345657 1145839919 /nfs/dbraw/zinc/83/99/19/1145839919.db2.gz BWTFBFKVHPXSCA-HUUCEWRRSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)NC1(CO)CC[NH+](C[C@H]2CCCC23CCOCC3)CC1 ZINC001365296431 1145840525 /nfs/dbraw/zinc/84/05/25/1145840525.db2.gz BARYJVPKVARTTJ-QGZVFWFLSA-N 1 3 324.509 2.408 20 0 DEADHO CC(C)[NH2+]C1(CO)CCN(C[C@H]2CCCC23CCOCC3)CC1 ZINC001365296431 1145840526 /nfs/dbraw/zinc/84/05/26/1145840526.db2.gz BARYJVPKVARTTJ-QGZVFWFLSA-N 1 3 324.509 2.408 20 0 DEADHO C[N@H+](CCCCCF)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001491951771 1147015407 /nfs/dbraw/zinc/01/54/07/1147015407.db2.gz LSCGCFCRBJYXJE-OAHLLOKOSA-N 1 3 310.417 2.015 20 0 DEADHO C[N@@H+](CCCCCF)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001491951771 1147015409 /nfs/dbraw/zinc/01/54/09/1147015409.db2.gz LSCGCFCRBJYXJE-OAHLLOKOSA-N 1 3 310.417 2.015 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001366161486 1147084615 /nfs/dbraw/zinc/08/46/15/1147084615.db2.gz IFCYDAVUAIRXIP-UGJSGUFQSA-N 1 3 313.873 2.239 20 0 DEADHO CCc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001366322008 1147213412 /nfs/dbraw/zinc/21/34/12/1147213412.db2.gz JNZZXOLCALSDII-CRAIPNDOSA-N 1 3 319.493 2.430 20 0 DEADHO C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)NC/C=C\Cl ZINC001366343960 1147224973 /nfs/dbraw/zinc/22/49/73/1147224973.db2.gz JYPBWUTYJIAKBY-VVOKDJNJSA-N 1 3 309.841 2.209 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1c(C)cccc1C)N(C)C ZINC001366354725 1147230610 /nfs/dbraw/zinc/23/06/10/1147230610.db2.gz RQEZNJTXJDNASW-WBVHZDCISA-N 1 3 305.466 2.238 20 0 DEADHO CCCCC[N@H+](C)[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001480735043 1147288869 /nfs/dbraw/zinc/28/88/69/1147288869.db2.gz BNSJNXGVMQHRFX-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCCC[N@@H+](C)[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001480735043 1147288873 /nfs/dbraw/zinc/28/88/73/1147288873.db2.gz BNSJNXGVMQHRFX-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@H](C(=O)NCCC[N@H+](C)[C@@H]1CCc2ccccc21)N(C)C ZINC001316834146 1147338264 /nfs/dbraw/zinc/33/82/64/1147338264.db2.gz HLNYNWSXGSFKPO-QZTJIDSGSA-N 1 3 317.477 2.452 20 0 DEADHO CC[C@H](C(=O)NCCC[N@@H+](C)[C@@H]1CCc2ccccc21)N(C)C ZINC001316834146 1147338271 /nfs/dbraw/zinc/33/82/71/1147338271.db2.gz HLNYNWSXGSFKPO-QZTJIDSGSA-N 1 3 317.477 2.452 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC[N@@H+](C)CC[C@H](C)F ZINC001366569550 1147361266 /nfs/dbraw/zinc/36/12/66/1147361266.db2.gz FMCAYLWFGNOVLU-GJZGRUSLSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC[N@H+](C)CC[C@H](C)F ZINC001366569550 1147361274 /nfs/dbraw/zinc/36/12/74/1147361274.db2.gz FMCAYLWFGNOVLU-GJZGRUSLSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@H+](C)[C@H]1CCc2c1cccc2F ZINC001366597753 1147381751 /nfs/dbraw/zinc/38/17/51/1147381751.db2.gz UGCHAAAASDEYNW-KRWDZBQOSA-N 1 3 321.440 2.201 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@@H+](C)[C@H]1CCc2c1cccc2F ZINC001366597753 1147381754 /nfs/dbraw/zinc/38/17/54/1147381754.db2.gz UGCHAAAASDEYNW-KRWDZBQOSA-N 1 3 321.440 2.201 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC001366714165 1147507521 /nfs/dbraw/zinc/50/75/21/1147507521.db2.gz ZQWCWCDIWQJMJQ-QGZVFWFLSA-N 1 3 317.477 2.275 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC001366714165 1147507522 /nfs/dbraw/zinc/50/75/22/1147507522.db2.gz ZQWCWCDIWQJMJQ-QGZVFWFLSA-N 1 3 317.477 2.275 20 0 DEADHO CN(C)C1(C(=O)NCC[C@H]2CC[N@H+](CC3CCC3)C2)CCC1 ZINC001366833890 1147586842 /nfs/dbraw/zinc/58/68/42/1147586842.db2.gz ZSGBRDHDXSPSBV-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO CN(C)C1(C(=O)NCC[C@H]2CC[N@@H+](CC3CCC3)C2)CCC1 ZINC001366833890 1147586847 /nfs/dbraw/zinc/58/68/47/1147586847.db2.gz ZSGBRDHDXSPSBV-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO CC1CC(C[N@H+](C)CCCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001316850790 1147615357 /nfs/dbraw/zinc/61/53/57/1147615357.db2.gz IVYKSWGUMZBHPN-UHFFFAOYSA-N 1 3 311.514 2.449 20 0 DEADHO CC1CC(C[N@@H+](C)CCCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001316850790 1147615360 /nfs/dbraw/zinc/61/53/60/1147615360.db2.gz IVYKSWGUMZBHPN-UHFFFAOYSA-N 1 3 311.514 2.449 20 0 DEADHO CC(C)(C(=O)NCC1C[NH+](CC2CCCC2)C1)N1CCCC1 ZINC001366975625 1147627409 /nfs/dbraw/zinc/62/74/09/1147627409.db2.gz RKNKSSQARZFMEH-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO CC[C@@H](F)CN(CCCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001316921309 1147631740 /nfs/dbraw/zinc/63/17/40/1147631740.db2.gz BRZJIGANMQXVDY-OAHLLOKOSA-N 1 3 313.461 2.047 20 0 DEADHO CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001316977555 1147642239 /nfs/dbraw/zinc/64/22/39/1147642239.db2.gz JHACERKLSXWHHB-JEZUCGJFSA-N 1 3 307.482 2.406 20 0 DEADHO CC/C=C\CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001316977555 1147642242 /nfs/dbraw/zinc/64/22/42/1147642242.db2.gz JHACERKLSXWHHB-JEZUCGJFSA-N 1 3 307.482 2.406 20 0 DEADHO CC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001367098321 1147649399 /nfs/dbraw/zinc/64/93/99/1147649399.db2.gz FBAIGQFVWXGDPH-JKSUJKDBSA-N 1 3 309.429 2.150 20 0 DEADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccccc1F ZINC001367104659 1147650508 /nfs/dbraw/zinc/65/05/08/1147650508.db2.gz UIZNVVGJZUQJIG-OAHLLOKOSA-N 1 3 321.440 2.294 20 0 DEADHO CC[C@H](CNC(=O)Cc1nc[nH]c1C)[NH2+]CC1CC(C)(C)C1 ZINC001367131825 1147654233 /nfs/dbraw/zinc/65/42/33/1147654233.db2.gz DUCMKVSLRKQBON-CQSZACIVSA-N 1 3 306.454 2.181 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1ccc(F)cc1 ZINC001367246623 1147669005 /nfs/dbraw/zinc/66/90/05/1147669005.db2.gz SVNRRUAHZWEPOO-CQSZACIVSA-N 1 3 321.440 2.152 20 0 DEADHO Cc1ccc(F)c(CNC[C@@H](C)N(C)C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001367408732 1147690330 /nfs/dbraw/zinc/69/03/30/1147690330.db2.gz VCMRCWURXYOCGM-CABCVRRESA-N 1 3 321.440 2.022 20 0 DEADHO Cc1ccc(F)c(CNC[C@@H](C)N(C)C(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001367408732 1147690332 /nfs/dbraw/zinc/69/03/32/1147690332.db2.gz VCMRCWURXYOCGM-CABCVRRESA-N 1 3 321.440 2.022 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001317346772 1147694053 /nfs/dbraw/zinc/69/40/53/1147694053.db2.gz YQCSTBLXXSRENO-KRWDZBQOSA-N 1 3 307.482 2.265 20 0 DEADHO C[C@@H](C[N@H+](C)CC1CC1)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001367834873 1147756372 /nfs/dbraw/zinc/75/63/72/1147756372.db2.gz OBQTWENNPUAARA-SUMWQHHRSA-N 1 3 313.461 2.045 20 0 DEADHO C[C@@H](C[N@@H+](C)CC1CC1)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001367834873 1147756373 /nfs/dbraw/zinc/75/63/73/1147756373.db2.gz OBQTWENNPUAARA-SUMWQHHRSA-N 1 3 313.461 2.045 20 0 DEADHO CN(C/C=C\Cl)C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001317856285 1147758354 /nfs/dbraw/zinc/75/83/54/1147758354.db2.gz FQQLJUKIPFTWMZ-AJHXJQRKSA-N 1 3 315.889 2.251 20 0 DEADHO Cc1ccc(CN(C)C[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)cc1F ZINC001367861325 1147762962 /nfs/dbraw/zinc/76/29/62/1147762962.db2.gz ZACMTUYWBMWWEX-GOEBONIOSA-N 1 3 321.440 2.022 20 0 DEADHO Cc1ccc(CN(C)C[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)cc1F ZINC001367861325 1147762963 /nfs/dbraw/zinc/76/29/63/1147762963.db2.gz ZACMTUYWBMWWEX-GOEBONIOSA-N 1 3 321.440 2.022 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H](CC[NH2+]C/C=C\Cl)C1)N(C)C ZINC001326351450 1148083104 /nfs/dbraw/zinc/08/31/04/1148083104.db2.gz GLMVZGFVSUBIBM-OVUXIIJLSA-N 1 3 315.889 2.153 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@]1(C)CCC[N@H+](CC2CC2)C1)N(C)C ZINC001368214675 1148330709 /nfs/dbraw/zinc/33/07/09/1148330709.db2.gz AHWLRMUYORTOHI-FUHWJXTLSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@]1(C)CCC[N@@H+](CC2CC2)C1)N(C)C ZINC001368214675 1148330718 /nfs/dbraw/zinc/33/07/18/1148330718.db2.gz AHWLRMUYORTOHI-FUHWJXTLSA-N 1 3 309.498 2.201 20 0 DEADHO CCC[NH+]1CCC(NC(=O)N(CCN(C)C)C2CCCC2)CC1 ZINC000151265669 282113424 /nfs/dbraw/zinc/11/34/24/282113424.db2.gz WTPPFFJOIXVCND-UHFFFAOYSA-N 1 3 324.513 2.377 20 0 DEADHO C[NH2+]CCC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000262549567 290641623 /nfs/dbraw/zinc/64/16/23/290641623.db2.gz OLWWUJUOTPOFEG-CQSZACIVSA-N 1 3 309.479 2.247 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000489809220 282192084 /nfs/dbraw/zinc/19/20/84/282192084.db2.gz VDCFBQDPXYICCK-GVDBMIGSSA-N 1 3 322.497 2.129 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C)[NH+](C)C ZINC000294601010 529607889 /nfs/dbraw/zinc/60/78/89/529607889.db2.gz XMQJQFWTSVBVEY-CVEARBPZSA-N 1 3 323.506 2.468 20 0 DEADHO CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CCC[C@H](CC[NH3+])C1 ZINC000443069666 529621192 /nfs/dbraw/zinc/62/11/92/529621192.db2.gz KGHWULPFWLRPQD-RHSMWYFYSA-N 1 3 319.449 2.473 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417846225 529612683 /nfs/dbraw/zinc/61/26/83/529612683.db2.gz YIFOSCNNVFGWJI-NPVYPNSJSA-N 1 3 315.461 2.286 20 0 DEADHO CC[C@H](C)[N@H+](C)CCNC(=O)NCCN1CCCC(C)(C)C1 ZINC000445026243 529688506 /nfs/dbraw/zinc/68/85/06/529688506.db2.gz YAZOJBANTPWFMN-HNNXBMFYSA-N 1 3 312.502 2.138 20 0 DEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NCCN1CCCC(C)(C)C1 ZINC000445026243 529688508 /nfs/dbraw/zinc/68/85/08/529688508.db2.gz YAZOJBANTPWFMN-HNNXBMFYSA-N 1 3 312.502 2.138 20 0 DEADHO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000373879755 282254020 /nfs/dbraw/zinc/25/40/20/282254020.db2.gz DPDWUCDCYAKEGO-IRXDYDNUSA-N 1 3 307.482 2.336 20 0 DEADHO CCc1ccc([C@H](CNC(=O)N[C@@H](C)C[NH3+])N(CC)CC)cc1 ZINC000418208290 529723231 /nfs/dbraw/zinc/72/32/31/529723231.db2.gz DAFDABLEBLIOIU-YOEHRIQHSA-N 1 3 320.481 2.278 20 0 DEADHO C[NH2+]CC1CCN([C@@H](C)C(=O)N(C)Cc2cccc(F)c2)CC1 ZINC000430940560 529959277 /nfs/dbraw/zinc/95/92/77/529959277.db2.gz PRZZBJOMVPTNGQ-AWEZNQCLSA-N 1 3 321.440 2.104 20 0 DEADHO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000418178901 529989854 /nfs/dbraw/zinc/98/98/54/529989854.db2.gz JGFWCIAEVSJBKF-BHYGNILZSA-N 1 3 318.465 2.071 20 0 DEADHO CN1CCC[C@@H](CNC(=O)NCCCC[NH3+])[C@@H]1c1cccs1 ZINC000417744842 530055024 /nfs/dbraw/zinc/05/50/24/530055024.db2.gz YZBQKXXPRKFLCR-DZGCQCFKSA-N 1 3 324.494 2.169 20 0 DEADHO C[C@@H](N[C@H]1CCN(c2ccccc2F)C1=O)C1CC[NH+](C)CC1 ZINC000089621432 539411726 /nfs/dbraw/zinc/41/17/26/539411726.db2.gz PRHOWDPECHDRLE-CJNGLKHVSA-N 1 3 319.424 2.251 20 0 DEADHO CN(CCCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422757040 282421745 /nfs/dbraw/zinc/42/17/45/282421745.db2.gz JEYOHVMISYTDDE-GUDVDZBRSA-N 1 3 317.477 2.260 20 0 DEADHO CCC[NH+]1CCC(Nc2cc(C(N)=O)ccc2CN(C)C)CC1 ZINC000154190794 539548644 /nfs/dbraw/zinc/54/86/44/539548644.db2.gz LDRIBAWKFWMNMF-UHFFFAOYSA-N 1 3 318.465 2.133 20 0 DEADHO C[NH+](C)CCCOc1ccc(NC(=O)[C@@H]2CCCCN2)cc1 ZINC000168434912 539611903 /nfs/dbraw/zinc/61/19/03/539611903.db2.gz CVFUGWVNIKDWHW-INIZCTEOSA-N 1 3 305.422 2.098 20 0 DEADHO C[C@@H](CCNC(=O)C1(N)CCCC1)[N@H+](C)Cc1ccccc1 ZINC000178857647 539637829 /nfs/dbraw/zinc/63/78/29/539637829.db2.gz BRHZETNMJNLWFH-HNNXBMFYSA-N 1 3 303.450 2.285 20 0 DEADHO C[C@@H](CCNC(=O)C1(N)CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000178857647 539637832 /nfs/dbraw/zinc/63/78/32/539637832.db2.gz BRHZETNMJNLWFH-HNNXBMFYSA-N 1 3 303.450 2.285 20 0 DEADHO [NH3+]C1(CC(=O)NC[C@H](c2ccccc2)N2CCCC2)CCC1 ZINC000237997630 539752749 /nfs/dbraw/zinc/75/27/49/539752749.db2.gz MXUOCLLKFVWZEW-MRXNPFEDSA-N 1 3 301.434 2.211 20 0 DEADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(C(=O)C3CCCC3)C2)[C@@H](C)C1 ZINC000246902451 539767490 /nfs/dbraw/zinc/76/74/90/539767490.db2.gz FGHNOQZBCPXRFX-XIRDDKMYSA-N 1 3 307.482 2.097 20 0 DEADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(C(=O)C3CCCC3)C2)[C@@H](C)C1 ZINC000246902451 539767496 /nfs/dbraw/zinc/76/74/96/539767496.db2.gz FGHNOQZBCPXRFX-XIRDDKMYSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]([NH2+]CCCC(=O)N(C)C)c1cccc(OCCN(C)C)c1 ZINC000268852003 282691608 /nfs/dbraw/zinc/69/16/08/282691608.db2.gz TVARODGLPIYAKQ-HNNXBMFYSA-N 1 3 321.465 2.146 20 0 DEADHO COc1ccc(NC(=O)CCN(C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000152473270 186076672 /nfs/dbraw/zinc/07/66/72/186076672.db2.gz HBHVMRSKVTXBPP-OAHLLOKOSA-N 1 3 319.449 2.297 20 0 DEADHO COc1ccc(NC(=O)CCN(C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000152473270 186076674 /nfs/dbraw/zinc/07/66/74/186076674.db2.gz HBHVMRSKVTXBPP-OAHLLOKOSA-N 1 3 319.449 2.297 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H](N)C(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000237439942 186289168 /nfs/dbraw/zinc/28/91/68/186289168.db2.gz XLJHRWCYOOLPBP-VNQPRFMTSA-N 1 3 303.450 2.139 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H](N)C(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000237439942 186289169 /nfs/dbraw/zinc/28/91/69/186289169.db2.gz XLJHRWCYOOLPBP-VNQPRFMTSA-N 1 3 303.450 2.139 20 0 DEADHO FCC1CCN(CCOCC[NH+]2CCC(CF)CC2)CC1 ZINC000451399621 303127629 /nfs/dbraw/zinc/12/76/29/303127629.db2.gz ZIGXRIKIYDKLEF-UHFFFAOYSA-N 1 3 304.425 2.366 20 0 DEADHO CC(CN(C)C[C@H]1CCCOC1)C[N@H+](C)C[C@H]1CCCOC1 ZINC000346640036 535176485 /nfs/dbraw/zinc/17/64/85/535176485.db2.gz IHGUFMWEQJEHHR-QZTJIDSGSA-N 1 3 312.498 2.339 20 0 DEADHO CC(CN(C)C[C@H]1CCCOC1)C[N@@H+](C)C[C@H]1CCCOC1 ZINC000346640036 535176489 /nfs/dbraw/zinc/17/64/89/535176489.db2.gz IHGUFMWEQJEHHR-QZTJIDSGSA-N 1 3 312.498 2.339 20 0 DEADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1scnc1C1CC1 ZINC000349065140 540027745 /nfs/dbraw/zinc/02/77/45/540027745.db2.gz XUSCOXHPXBAYEO-UHFFFAOYSA-N 1 3 322.522 2.478 20 0 DEADHO Cc1nccn1CCC[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000069754473 354875841 /nfs/dbraw/zinc/87/58/41/354875841.db2.gz UXTOBPQJTDHGMR-UHFFFAOYSA-N 1 3 316.449 2.312 20 0 DEADHO [NH3+][C@H]1CCC[C@@H](NC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000332524908 235059996 /nfs/dbraw/zinc/05/99/96/235059996.db2.gz BORLJHJICGWFCS-DLBZAZTESA-N 1 3 322.497 2.164 20 0 DEADHO C[NH+]1CCC(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000073726246 191348002 /nfs/dbraw/zinc/34/80/02/191348002.db2.gz RQNQCAQFAHOLOB-GOSISDBHSA-N 1 3 315.461 2.109 20 0 DEADHO O=C(c1cccc2c1CCNC2)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000391479630 540136981 /nfs/dbraw/zinc/13/69/81/540136981.db2.gz XCXSRTFUYQASFV-INIZCTEOSA-N 1 3 313.445 2.033 20 0 DEADHO CN1CCC(O)(C[NH2+]Cc2cnc(-c3ccsc3)s2)CC1 ZINC000084664438 355485859 /nfs/dbraw/zinc/48/58/59/355485859.db2.gz WTZSVSSKQPFEQU-UHFFFAOYSA-N 1 3 323.487 2.418 20 0 DEADHO C[C@H](NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)[C@H](c1ccccc1)N(C)C ZINC000418178467 540170108 /nfs/dbraw/zinc/17/01/08/540170108.db2.gz IWFANHGSBKYGSI-RKTXRCNFSA-N 1 3 318.465 2.247 20 0 DEADHO COc1cc(NCCN[C@H]2CC[N@H+](C)C[C@H]2C)cc(OC)c1 ZINC000090719338 355567299 /nfs/dbraw/zinc/56/72/99/355567299.db2.gz FAHGKDBNUFYBLF-DYVFJYSZSA-N 1 3 307.438 2.046 20 0 DEADHO COc1cc(NCCN[C@H]2CC[N@@H+](C)C[C@H]2C)cc(OC)c1 ZINC000090719338 355567301 /nfs/dbraw/zinc/56/73/01/355567301.db2.gz FAHGKDBNUFYBLF-DYVFJYSZSA-N 1 3 307.438 2.046 20 0 DEADHO CCc1ccc([C@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000103213095 355714911 /nfs/dbraw/zinc/71/49/11/355714911.db2.gz RALRUGRIPYURNR-INIZCTEOSA-N 1 3 319.493 2.304 20 0 DEADHO CC(C)[NH2+]CCC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000167669173 355978283 /nfs/dbraw/zinc/97/82/83/355978283.db2.gz CVZSIEHAMZQWKG-UHFFFAOYSA-N 1 3 317.477 2.498 20 0 DEADHO C[C@@H](CCNC(=O)NCCN1CCCCC1)[NH+]1CCCCC1 ZINC000181589132 356087477 /nfs/dbraw/zinc/08/74/77/356087477.db2.gz PDLRIKSYOZTZTQ-INIZCTEOSA-N 1 3 310.486 2.036 20 0 DEADHO C[C@@H](CNC(=O)NCC(C)(C)N1CCCCC1)C[NH+]1CCCC1 ZINC000079857264 191978923 /nfs/dbraw/zinc/97/89/23/191978923.db2.gz HDCVDNYZHPTGEI-INIZCTEOSA-N 1 3 324.513 2.282 20 0 DEADHO Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H](C)CN1CCCC1 ZINC000314965739 356420223 /nfs/dbraw/zinc/42/02/23/356420223.db2.gz FFZKQYZOUSWTBN-NVXWUHKLSA-N 1 3 306.450 2.056 20 0 DEADHO CCC[C@H]([NH3+])C(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000236873837 202046926 /nfs/dbraw/zinc/04/69/26/202046926.db2.gz XXDRCAHVXVTJME-IRXDYDNUSA-N 1 3 303.450 2.067 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000423770379 283199665 /nfs/dbraw/zinc/19/96/65/283199665.db2.gz DGZJONYPRJRZLE-BFYDXBDKSA-N 1 3 303.450 2.011 20 0 DEADHO CN(C)C[C@H](NC(=O)C[NH2+]CC1CC1)c1ccc(Cl)cc1 ZINC000423783122 283201087 /nfs/dbraw/zinc/20/10/87/283201087.db2.gz ZZGYFQAGTNZWRG-HNNXBMFYSA-N 1 3 309.841 2.059 20 0 DEADHO C[NH+](C)[C@@H](CNC(=O)[C@@H](N)Cc1ccccc1)C1CCCCC1 ZINC000237140296 202164551 /nfs/dbraw/zinc/16/45/51/202164551.db2.gz VTTRWUGPSPLLRS-ROUUACIJSA-N 1 3 317.477 2.183 20 0 DEADHO CCCCN(C)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000578387922 356809055 /nfs/dbraw/zinc/80/90/55/356809055.db2.gz FMMCBMFGEVJLPG-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO Cc1ccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)c(OCCN(C)C)c1 ZINC000237183480 202179324 /nfs/dbraw/zinc/17/93/24/202179324.db2.gz SWJGAGHPZOXBJJ-KBPBESRZSA-N 1 3 305.422 2.001 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000578436594 356816738 /nfs/dbraw/zinc/81/67/38/356816738.db2.gz IYJLRCDRGUTCLO-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NCC[N@H+]1CCCC1(C)C ZINC000578436594 356816740 /nfs/dbraw/zinc/81/67/40/356816740.db2.gz IYJLRCDRGUTCLO-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO CCOC[C@@H](O)CNCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000578498630 356827115 /nfs/dbraw/zinc/82/71/15/356827115.db2.gz AZCAKPCHZCUTEW-IBGZPJMESA-N 1 3 320.477 2.406 20 0 DEADHO CC[NH+](CC)CCSCC(=O)Nc1cccc2c1CCNC2 ZINC000579358249 356963678 /nfs/dbraw/zinc/96/36/78/356963678.db2.gz MGUNLRVVCNUOFL-UHFFFAOYSA-N 1 3 321.490 2.346 20 0 DEADHO CC[NH2+]CCCNC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000579452410 356975454 /nfs/dbraw/zinc/97/54/54/356975454.db2.gz CHYSRLNAPVGZJF-HNNXBMFYSA-N 1 3 320.481 2.415 20 0 DEADHO [NH3+][C@H]1C[C@H](Nc2ccc(N3CCNCC3)cn2)c2ccccc21 ZINC000579822506 357035423 /nfs/dbraw/zinc/03/54/23/357035423.db2.gz WTNQSVJAINBXNS-IRXDYDNUSA-N 1 3 309.417 2.048 20 0 DEADHO Cn1cc([C@H](N[C@@H]2CC[C@H](C[NH3+])C2)c2cccc(F)c2)cn1 ZINC000579825506 357036787 /nfs/dbraw/zinc/03/67/87/357036787.db2.gz IWIQMEJDBLEIKY-JCURWCKSSA-N 1 3 302.397 2.366 20 0 DEADHO COc1ccc([C@H]2C[C@H](NC[C@@H](O)C[N@H+](C)C3CC3)C2)cc1F ZINC000581247363 357154505 /nfs/dbraw/zinc/15/45/05/357154505.db2.gz WXDXYBLMBIVXNO-IIAWOOMASA-N 1 3 322.424 2.125 20 0 DEADHO COc1ccc([C@H]2C[C@H](NC[C@@H](O)C[N@@H+](C)C3CC3)C2)cc1F ZINC000581247363 357154506 /nfs/dbraw/zinc/15/45/06/357154506.db2.gz WXDXYBLMBIVXNO-IIAWOOMASA-N 1 3 322.424 2.125 20 0 DEADHO C[C@@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)C1=CCN(C)CC1 ZINC000581544283 357204132 /nfs/dbraw/zinc/20/41/32/357204132.db2.gz VSBXMSUMKTVSMW-CXAGYDPISA-N 1 3 308.853 2.483 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](NCc2ccc(CN3CCCC3=O)cc2)C1 ZINC000584729881 357299852 /nfs/dbraw/zinc/29/98/52/357299852.db2.gz HKLWLYLGRPMPIZ-SJORKVTESA-N 1 3 301.434 2.169 20 0 DEADHO NCc1cn([C@H]2CCC[N@H+](Cc3ccc4c(c3)CCC4)C2)nn1 ZINC000581990996 357279880 /nfs/dbraw/zinc/27/98/80/357279880.db2.gz LKBHPXDJDXHYGS-SFHVURJKSA-N 1 3 311.433 2.063 20 0 DEADHO NCc1cn([C@H]2CCC[N@@H+](Cc3ccc4c(c3)CCC4)C2)nn1 ZINC000581990996 357279884 /nfs/dbraw/zinc/27/98/84/357279884.db2.gz LKBHPXDJDXHYGS-SFHVURJKSA-N 1 3 311.433 2.063 20 0 DEADHO COc1cc2c(cc1CNCC[C@@H]1CCC[NH2+]C1)O[C@H](C)C2 ZINC000584826379 357315931 /nfs/dbraw/zinc/31/59/31/357315931.db2.gz LCWLXYWBHOHLMD-KGLIPLIRSA-N 1 3 304.434 2.498 20 0 DEADHO COCCC[NH+]1CCC(NCc2[nH]nc3ccccc32)CC1 ZINC000589649475 357487417 /nfs/dbraw/zinc/48/74/17/357487417.db2.gz ORBIGETWJHLMLW-UHFFFAOYSA-N 1 3 302.422 2.153 20 0 DEADHO COCCCN1CCC([NH2+]Cc2[nH]nc3ccccc32)CC1 ZINC000589649475 357487420 /nfs/dbraw/zinc/48/74/20/357487420.db2.gz ORBIGETWJHLMLW-UHFFFAOYSA-N 1 3 302.422 2.153 20 0 DEADHO COC(=O)c1ccc(Cl)c(CN[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000591281617 357699149 /nfs/dbraw/zinc/69/91/49/357699149.db2.gz FHZFZCAKGBKLAQ-CQSZACIVSA-N 1 3 308.809 2.358 20 0 DEADHO COC(=O)c1cc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c[nH]1 ZINC000592433552 357875669 /nfs/dbraw/zinc/87/56/69/357875669.db2.gz ATCGXEBHMHRSIO-GJZGRUSLSA-N 1 3 305.422 2.013 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000592443449 357877511 /nfs/dbraw/zinc/87/75/11/357877511.db2.gz VKIWELDNNUZSDK-GOSISDBHSA-N 1 3 317.477 2.357 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000592443449 357877514 /nfs/dbraw/zinc/87/75/14/357877514.db2.gz VKIWELDNNUZSDK-GOSISDBHSA-N 1 3 317.477 2.357 20 0 DEADHO CC1(C)C[C@@]1([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000663515030 540340931 /nfs/dbraw/zinc/34/09/31/540340931.db2.gz YJBZRZKYKHROFX-HNAYVOBHSA-N 1 3 315.461 2.099 20 0 DEADHO CCCN1CC[C@@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000666925323 540364427 /nfs/dbraw/zinc/36/44/27/540364427.db2.gz WFHNUFXKYUMBME-QGZVFWFLSA-N 1 3 324.513 2.234 20 0 DEADHO c1nc(-c2ccccn2)sc1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000666952297 540368958 /nfs/dbraw/zinc/36/89/58/540368958.db2.gz PGJVIOKVYXZCDK-CQSZACIVSA-N 1 3 300.431 2.437 20 0 DEADHO Cc1nn(-c2ccncc2)cc1CN[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666997026 540376991 /nfs/dbraw/zinc/37/69/91/540376991.db2.gz SELZUFOAEDIAKW-MRXNPFEDSA-N 1 3 311.433 2.340 20 0 DEADHO Cc1ccnc(C)c1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000667062311 540389857 /nfs/dbraw/zinc/38/98/57/540389857.db2.gz AERDYASSKFRBHU-AWEZNQCLSA-N 1 3 321.469 2.092 20 0 DEADHO Cc1ccnc(C)c1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000667062311 540389861 /nfs/dbraw/zinc/38/98/61/540389861.db2.gz AERDYASSKFRBHU-AWEZNQCLSA-N 1 3 321.469 2.092 20 0 DEADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3cnc4ccccn34)CC2)C1 ZINC000667054059 540387584 /nfs/dbraw/zinc/38/75/84/540387584.db2.gz BZAFGAKJUUCATF-NVXWUHKLSA-N 1 3 314.433 2.053 20 0 DEADHO C[C@@H]1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000237375021 202248872 /nfs/dbraw/zinc/24/88/72/202248872.db2.gz VFQWEOBCOVVHQL-VQIMIIECSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@@H]1CCC[C@](CNC(=O)[C@@H](N)Cc2ccccc2)([NH+](C)C)C1 ZINC000237367544 202245646 /nfs/dbraw/zinc/24/56/46/202245646.db2.gz PVABZRLGWMRYDV-AYBZRNKSSA-N 1 3 317.477 2.183 20 0 DEADHO COC(=O)C1CCC([NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC000596094342 358609201 /nfs/dbraw/zinc/60/92/01/358609201.db2.gz KWRRDRADQGXXPD-KLAILNCOSA-N 1 3 308.466 2.430 20 0 DEADHO CC(C)COC(=O)N1CCC([NH2+]C[C@@]2(C)CCCNC2)CC1 ZINC000496289419 283397638 /nfs/dbraw/zinc/39/76/38/283397638.db2.gz CZOPCVRSUOMGQI-KRWDZBQOSA-N 1 3 311.470 2.223 20 0 DEADHO [NH3+]C1CCC(NC(=O)N2CCN(CC3CCCCC3)CC2)CC1 ZINC000332516708 283411400 /nfs/dbraw/zinc/41/14/00/283411400.db2.gz HPTYNRQZABLIMB-UHFFFAOYSA-N 1 3 322.497 2.164 20 0 DEADHO COCc1csc(CN2CCC(OCC[NH+](C)C)CC2)c1 ZINC000667616996 540487853 /nfs/dbraw/zinc/48/78/53/540487853.db2.gz DEDDKCHIRIFEGD-UHFFFAOYSA-N 1 3 312.479 2.437 20 0 DEADHO CCN(C(=O)CSCC[NH+](CC)CC)C1CCN(C)CC1 ZINC000599986182 359629332 /nfs/dbraw/zinc/62/93/32/359629332.db2.gz PMOQABUMFWSNTH-UHFFFAOYSA-N 1 3 315.527 2.004 20 0 DEADHO C[C@]1(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CC[NH2+]C1 ZINC000237566593 202287302 /nfs/dbraw/zinc/28/73/02/202287302.db2.gz FLWUKSOMTDSMQY-PBHICJAKSA-N 1 3 321.490 2.076 20 0 DEADHO COC(=O)c1cnc(C2CCN(CC[C@H]3CC[NH2+]C3)CC2)s1 ZINC000600721301 359810346 /nfs/dbraw/zinc/81/03/46/359810346.db2.gz CDQBMIXOTSUUFU-GFCCVEGCSA-N 1 3 323.462 2.109 20 0 DEADHO C[C@@H]1C[NH+](Cc2ccc(OCCN(C)C)cc2)C[C@@H](C)C1O ZINC000668555595 540686956 /nfs/dbraw/zinc/68/69/56/540686956.db2.gz ZVCAHLVAJDEISP-HUUCEWRRSA-N 1 3 306.450 2.076 20 0 DEADHO CC[C@@H]1CN(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC[C@H]1[NH3+] ZINC000668562696 540689407 /nfs/dbraw/zinc/68/94/07/540689407.db2.gz PYOWECCKCMDTHD-OIISXLGYSA-N 1 3 318.465 2.058 20 0 DEADHO CCN(C)C(=O)[C@@H](C)N[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000189412956 200396716 /nfs/dbraw/zinc/39/67/16/200396716.db2.gz LXBZEKWDQFPPCL-HUUCEWRRSA-N 1 3 321.465 2.144 20 0 DEADHO C[C@@H]1CCC[C@@H]([NH2+]CC(=O)NCCN2CCCCCC2)[C@@H]1C ZINC000516986459 283537355 /nfs/dbraw/zinc/53/73/55/283537355.db2.gz MILRKPHYJFSMJR-BRWVUGGUSA-N 1 3 309.498 2.393 20 0 DEADHO CN1CCC(N2CC[C@@H]([NH2+]Cc3cccc4cc[nH]c43)C2)CC1 ZINC000602278734 360329219 /nfs/dbraw/zinc/32/92/19/360329219.db2.gz ZFJMFFSYMCCHJW-QGZVFWFLSA-N 1 3 312.461 2.426 20 0 DEADHO C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000443077640 238102779 /nfs/dbraw/zinc/10/27/79/238102779.db2.gz VCGMTEYUGXWSLB-CABCVRRESA-N 1 3 321.440 2.406 20 0 DEADHO C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443077664 238103049 /nfs/dbraw/zinc/10/30/49/238103049.db2.gz VDONSZBSLGJIFB-XHSDSOJGSA-N 1 3 303.450 2.313 20 0 DEADHO [NH3+]CCCN(CC1CCCC1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000669491430 540843500 /nfs/dbraw/zinc/84/35/00/540843500.db2.gz YYBQEEWUPKGRQB-QGZVFWFLSA-N 1 3 322.497 2.021 20 0 DEADHO CC[C@@H]1CN(C(=O)C(C)(C)[C@H](N)c2ccccc2)CC[C@H]1[NH3+] ZINC000669515852 540850375 /nfs/dbraw/zinc/85/03/75/540850375.db2.gz GXNVTPAZWQXZIT-FVQBIDKESA-N 1 3 303.450 2.298 20 0 DEADHO CC1(C)CCCN[C@@H]1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669519690 540850789 /nfs/dbraw/zinc/85/07/89/540850789.db2.gz OJBBIWMHOVTMNN-BZUAXINKSA-N 1 3 307.482 2.003 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCC(C)([NH3+])CC1)c1ccco1 ZINC000669584115 540869439 /nfs/dbraw/zinc/86/94/39/540869439.db2.gz GXWRTCXWGQGXKD-KBPBESRZSA-N 1 3 322.453 2.232 20 0 DEADHO C[C@@H]1CN(CCN2CCC(C[NH+]3CCCCCC3)CC2)CCO1 ZINC000669688317 540880588 /nfs/dbraw/zinc/88/05/88/540880588.db2.gz NSZZHFULMGOIQU-GOSISDBHSA-N 1 3 323.525 2.295 20 0 DEADHO CC[NH+]1CCC(CNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC000607384731 361087138 /nfs/dbraw/zinc/08/71/38/361087138.db2.gz YLGLJTZVWMWYCO-UHFFFAOYSA-N 1 3 303.450 2.210 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NCC1([NH+](C)C)CCCC1 ZINC000447961258 239193107 /nfs/dbraw/zinc/19/31/07/239193107.db2.gz GLRXMFOBANIDDA-HNNXBMFYSA-N 1 3 324.513 2.280 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000195156038 201349753 /nfs/dbraw/zinc/34/97/53/201349753.db2.gz YJMYPXWKUFLPBO-DZGCQCFKSA-N 1 3 309.479 2.247 20 0 DEADHO CN(C)CCN(C(=O)C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000195392678 201387091 /nfs/dbraw/zinc/38/70/91/201387091.db2.gz PAWADAHDLMPHBZ-UHFFFAOYSA-N 1 3 315.461 2.456 20 0 DEADHO CCCN1CC[C@@H](NC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000619903238 363900322 /nfs/dbraw/zinc/90/03/22/363900322.db2.gz YNVGLLNVYPYFGG-IAGOWNOFSA-N 1 3 303.450 2.280 20 0 DEADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(CN(C)C)cc1 ZINC000287396995 291305931 /nfs/dbraw/zinc/30/59/31/291305931.db2.gz YREDZFGJDIUSBK-MAUKXSAKSA-N 1 3 315.461 2.447 20 0 DEADHO Cc1ccccc1CN1CCCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000621502320 364429099 /nfs/dbraw/zinc/42/90/99/364429099.db2.gz AOSROFKNMKAHIE-UHFFFAOYSA-N 1 3 315.461 2.029 20 0 DEADHO C[C@H]([NH2+][C@@H]1CCCN(C)C1)c1cccc(OCCN(C)C)c1 ZINC000675765651 541381208 /nfs/dbraw/zinc/38/12/08/541381208.db2.gz DHLSTAFDXZMGMB-DOTOQJQBSA-N 1 3 305.466 2.372 20 0 DEADHO COc1ccc2c(c1)C[C@@H]([NH2+]CCCN(C)CCN(C)C)CC2 ZINC000623087685 364879394 /nfs/dbraw/zinc/87/93/94/364879394.db2.gz CGGNMPJNOHZMIV-SFHVURJKSA-N 1 3 319.493 2.026 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000449099519 240061069 /nfs/dbraw/zinc/06/10/69/240061069.db2.gz NXGKCPFQGDALQX-INMHGKMJSA-N 1 3 303.450 2.326 20 0 DEADHO C[C@@H](NC1CC1)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000449110805 240062031 /nfs/dbraw/zinc/06/20/31/240062031.db2.gz GTXZOKBKSPZXKJ-HZPDHXFCSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1cc(C)c(NC(=O)CCCN2C[C@@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000675953519 541398483 /nfs/dbraw/zinc/39/84/83/541398483.db2.gz LWLJGNSMKPPWJJ-IRXDYDNUSA-N 1 3 315.461 2.482 20 0 DEADHO Cn1c(=O)ccc2c1CCC[C@H]2N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623560749 365079327 /nfs/dbraw/zinc/07/93/27/365079327.db2.gz QQFLHIQRMAEHRN-DZGCQCFKSA-N 1 3 303.450 2.225 20 0 DEADHO Cn1c(=O)ccc2c1CCC[C@H]2N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623560749 365079334 /nfs/dbraw/zinc/07/93/34/365079334.db2.gz QQFLHIQRMAEHRN-DZGCQCFKSA-N 1 3 303.450 2.225 20 0 DEADHO CCN1C[C@H](NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)[C@@H](C)C1 ZINC000623743320 365158303 /nfs/dbraw/zinc/15/83/03/365158303.db2.gz PDEKUSBIKXBRJC-UAGQMJEPSA-N 1 3 322.497 2.033 20 0 DEADHO CCN1C[C@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)[C@@H](C)C1 ZINC000623743320 365158311 /nfs/dbraw/zinc/15/83/11/365158311.db2.gz PDEKUSBIKXBRJC-UAGQMJEPSA-N 1 3 322.497 2.033 20 0 DEADHO CN(C)CC[NH+]1CCC(CN[C@H]2CCCc3scnc32)CC1 ZINC000623887672 365209867 /nfs/dbraw/zinc/20/98/67/365209867.db2.gz JTVBJDTZSSJEJM-HNNXBMFYSA-N 1 3 322.522 2.384 20 0 DEADHO C[NH+](C)CC1CCN([C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528355988 283870313 /nfs/dbraw/zinc/87/03/13/283870313.db2.gz OOIKQSCTQFXWMN-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H](O)C2CCC2)CC1 ZINC000449738923 241014006 /nfs/dbraw/zinc/01/40/06/241014006.db2.gz HAHRYDCYDKBNIN-IBGZPJMESA-N 1 3 317.477 2.079 20 0 DEADHO FC(F)CN1CCC[C@@H]1CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000629518983 367232356 /nfs/dbraw/zinc/23/23/56/367232356.db2.gz NSFHRKLNVJOVPH-LXTVHRRPSA-N 1 3 301.425 2.226 20 0 DEADHO N[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c2ccccc21 ZINC000629534991 367239253 /nfs/dbraw/zinc/23/92/53/367239253.db2.gz BTFFNLPMGWDEQH-DFGXFYAUSA-N 1 3 311.385 2.352 20 0 DEADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3cc(CO)ccc3F)C2)C1 ZINC000629541660 367242371 /nfs/dbraw/zinc/24/23/71/367242371.db2.gz YNFNHHOKCVRSIC-QGPMSJSTSA-N 1 3 322.424 2.036 20 0 DEADHO CC(C)[C@H]1CC[C@@H](C)C[C@H]1NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000629545478 367243392 /nfs/dbraw/zinc/24/33/92/367243392.db2.gz BQRKOLSPWBMLTN-MWQQHZPXSA-N 1 3 305.470 2.363 20 0 DEADHO CC[C@H](C[NH2+]C[C@H](O)CN1CCCC1)Oc1ccccc1F ZINC000629567587 367255103 /nfs/dbraw/zinc/25/51/03/367255103.db2.gz YTIGVWOCDIJTOY-LSDHHAIUSA-N 1 3 310.413 2.029 20 0 DEADHO COc1cccc(C(C)(C)CNC[C@H](O)C[NH+]2CCCC2)c1 ZINC000629570112 367256215 /nfs/dbraw/zinc/25/62/15/367256215.db2.gz IDCPSZUYMSFGJQ-INIZCTEOSA-N 1 3 306.450 2.019 20 0 DEADHO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCNCC(C)(C)C2)C12CCOCC2 ZINC000630681624 367791552 /nfs/dbraw/zinc/79/15/52/367791552.db2.gz LAHVQCVUCJORBX-BZUAXINKSA-N 1 3 310.482 2.328 20 0 DEADHO CCO[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)C12CCOCC2 ZINC000630681624 367791558 /nfs/dbraw/zinc/79/15/58/367791558.db2.gz LAHVQCVUCJORBX-BZUAXINKSA-N 1 3 310.482 2.328 20 0 DEADHO CN1CCC(C[N@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000678239075 541697905 /nfs/dbraw/zinc/69/79/05/541697905.db2.gz PDTVGQPZSQXEOK-UHFFFAOYSA-N 1 3 315.461 2.352 20 0 DEADHO CN1CCC(C[N@@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000678239075 541697907 /nfs/dbraw/zinc/69/79/07/541697907.db2.gz PDTVGQPZSQXEOK-UHFFFAOYSA-N 1 3 315.461 2.352 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000678284817 541706809 /nfs/dbraw/zinc/70/68/09/541706809.db2.gz IWQNCNHQZXLDRW-ZWKOTPCHSA-N 1 3 318.461 2.485 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000678284817 541706812 /nfs/dbraw/zinc/70/68/12/541706812.db2.gz IWQNCNHQZXLDRW-ZWKOTPCHSA-N 1 3 318.461 2.485 20 0 DEADHO CN1CCC[C@@H]2C[N@H+](Cc3ccccc3-n3cncn3)CC[C@H]21 ZINC000678340735 541714424 /nfs/dbraw/zinc/71/44/24/541714424.db2.gz VOJOQZNXISXMPS-NVXWUHKLSA-N 1 3 311.433 2.183 20 0 DEADHO CN1CCC[C@@H]2C[N@@H+](Cc3ccccc3-n3cncn3)CC[C@H]21 ZINC000678340735 541714427 /nfs/dbraw/zinc/71/44/27/541714427.db2.gz VOJOQZNXISXMPS-NVXWUHKLSA-N 1 3 311.433 2.183 20 0 DEADHO c1ccc(C[N@@H+]2CC[C@@H](N3CCN(c4ccncc4)CC3)C2)cc1 ZINC000678348789 541716999 /nfs/dbraw/zinc/71/69/99/541716999.db2.gz AYUFDCONVWNYJC-HXUWFJFHSA-N 1 3 322.456 2.478 20 0 DEADHO c1ccc(C[N@H+]2CC[C@@H](N3CCN(c4ccncc4)CC3)C2)cc1 ZINC000678348789 541717001 /nfs/dbraw/zinc/71/70/01/541717001.db2.gz AYUFDCONVWNYJC-HXUWFJFHSA-N 1 3 322.456 2.478 20 0 DEADHO CCC[C@H](N)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261539611 203074624 /nfs/dbraw/zinc/07/46/24/203074624.db2.gz CVJFFMRAOLLYLQ-XIRDDKMYSA-N 1 3 303.450 2.141 20 0 DEADHO CCC[C@H](N)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261539611 203074627 /nfs/dbraw/zinc/07/46/27/203074627.db2.gz CVJFFMRAOLLYLQ-XIRDDKMYSA-N 1 3 303.450 2.141 20 0 DEADHO Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c(OCCN(C)C)c1 ZINC000261645769 203087051 /nfs/dbraw/zinc/08/70/51/203087051.db2.gz DBXCSISNCWHABY-HUUCEWRRSA-N 1 3 319.449 2.249 20 0 DEADHO C[NH2+][C@@H]1CCCN(C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000261782933 203116560 /nfs/dbraw/zinc/11/65/60/203116560.db2.gz SRCJFIPWHAGPBV-GOSISDBHSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@@H]1CCC[C@](CNC(=O)[C@H](CN)c2ccccc2)([NH+](C)C)C1 ZINC000261848142 203132379 /nfs/dbraw/zinc/13/23/79/203132379.db2.gz ZNWDEHHXUCSTSH-SUMDDJOVSA-N 1 3 317.477 2.356 20 0 DEADHO CN(C)CCN(Cc1ccccc1F)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262351642 203271419 /nfs/dbraw/zinc/27/14/19/203271419.db2.gz JEAAQUMFLFJRNR-ZBFHGGJFSA-N 1 3 321.440 2.233 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000262323333 203261041 /nfs/dbraw/zinc/26/10/41/203261041.db2.gz DBTVTZWLAYNKGV-RYQLBKOJSA-N 1 3 315.461 2.155 20 0 DEADHO CCC[NH+]1CCC(N2CCC[C@@H](CC(C)(C)C(N)=O)C2)CC1 ZINC000453272521 245042669 /nfs/dbraw/zinc/04/26/69/245042669.db2.gz DWYCZCCIUCIBHW-HNNXBMFYSA-N 1 3 309.498 2.474 20 0 DEADHO C[C@H](Cc1ccccc1F)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282522740 217059841 /nfs/dbraw/zinc/05/98/41/217059841.db2.gz ZUFANSFRFZCFGU-OAHLLOKOSA-N 1 3 307.457 2.372 20 0 DEADHO O=C(Nc1ccc2c(c1)CNCCO2)c1ccc2c(c1)C[NH2+]C2 ZINC000361098735 284329360 /nfs/dbraw/zinc/32/93/60/284329360.db2.gz USNVWHUGABTJIH-UHFFFAOYSA-N 1 3 309.369 2.024 20 0 DEADHO COc1cc(OC)c(OC)cc1CNCC1=CC[N@H+](C)CC1 ZINC000271788225 209215465 /nfs/dbraw/zinc/21/54/65/209215465.db2.gz GCOJCIHUYKNWLN-UHFFFAOYSA-N 1 3 306.406 2.064 20 0 DEADHO COc1cc(OC)c(OC)cc1CNCC1=CC[N@@H+](C)CC1 ZINC000271788225 209215468 /nfs/dbraw/zinc/21/54/68/209215468.db2.gz GCOJCIHUYKNWLN-UHFFFAOYSA-N 1 3 306.406 2.064 20 0 DEADHO Cc1ccc(NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)c(OCCN(C)C)c1 ZINC000288542634 220220034 /nfs/dbraw/zinc/22/00/34/220220034.db2.gz FLWDALUAUBKYQM-HUUCEWRRSA-N 1 3 319.449 2.262 20 0 DEADHO CCCCNc1cc(C)nc(N[C@@H](C)[C@@H]2CN(C)CCN2C)n1 ZINC001354267191 1151881178 /nfs/dbraw/zinc/88/11/78/1151881178.db2.gz WQHHQABSFAYMEE-GJZGRUSLSA-N 1 3 320.485 2.043 20 0 DEADHO CCCCNc1cc(C)nc(N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)n1 ZINC001354267191 1151881181 /nfs/dbraw/zinc/88/11/81/1151881181.db2.gz WQHHQABSFAYMEE-GJZGRUSLSA-N 1 3 320.485 2.043 20 0 DEADHO CCCCNc1cc(C)nc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)n1 ZINC001354267191 1151881183 /nfs/dbraw/zinc/88/11/83/1151881183.db2.gz WQHHQABSFAYMEE-GJZGRUSLSA-N 1 3 320.485 2.043 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CN(C)CC(C)(C)C ZINC001422268289 1172451229 /nfs/dbraw/zinc/45/12/29/1172451229.db2.gz IYMYSCXOMYIWRA-HOTGVXAUSA-N 1 3 311.514 2.495 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)NCCCCC[NH+]2CCCC2)CN1C1CC1 ZINC000454645433 246023149 /nfs/dbraw/zinc/02/31/49/246023149.db2.gz BHFNUPDANXQHGL-JKSUJKDBSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@H](CCNC(=O)N[C@H]1CCN(CC2CC2)C1)[NH+]1CCCCC1 ZINC000680281337 541977460 /nfs/dbraw/zinc/97/74/60/541977460.db2.gz HAJRERSRQJBLGV-WBVHZDCISA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H](c1cccnc1)N1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000343720192 296242382 /nfs/dbraw/zinc/24/23/82/296242382.db2.gz ANVQQGSLZDOGAV-HOTGVXAUSA-N 1 3 302.466 2.243 20 0 DEADHO C[C@@H](c1cccnc1)N1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000343720192 296242384 /nfs/dbraw/zinc/24/23/84/296242384.db2.gz ANVQQGSLZDOGAV-HOTGVXAUSA-N 1 3 302.466 2.243 20 0 DEADHO C[C@@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)N(C)C ZINC000458374383 248280377 /nfs/dbraw/zinc/28/03/77/248280377.db2.gz OKQFZBKIPCONEZ-GJZGRUSLSA-N 1 3 320.481 2.365 20 0 DEADHO C[C@H](NC(=O)N1CCN(C2CC2)C[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000458527113 248357938 /nfs/dbraw/zinc/35/79/38/248357938.db2.gz SNDDNBZQZYVSTE-GJZGRUSLSA-N 1 3 324.513 2.088 20 0 DEADHO CCN(CC)CCN[C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422748218 284635898 /nfs/dbraw/zinc/63/58/98/284635898.db2.gz SNJIFXCOOSBGRS-QZTJIDSGSA-N 1 3 305.466 2.420 20 0 DEADHO C[NH+]1CCC(O)(CNCc2sccc2Br)CC1 ZINC000274093967 211349324 /nfs/dbraw/zinc/34/93/24/211349324.db2.gz QPKPMAAZIMKDBC-UHFFFAOYSA-N 1 3 319.268 2.057 20 0 DEADHO C[C@@H]1CC2(CN1CC(=O)NC1CCC(C)CC1)CC[NH2+]CC2 ZINC000424284118 296294648 /nfs/dbraw/zinc/29/46/48/296294648.db2.gz COMDCTOKKPWJLS-HWOWSKLDSA-N 1 3 307.482 2.145 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H](C)[C@H](C)[NH3+])c1cccc(OC)c1 ZINC000249092717 284819988 /nfs/dbraw/zinc/81/99/88/284819988.db2.gz SXQMFESFWLJEGI-GRDNDAEWSA-N 1 3 321.465 2.178 20 0 DEADHO CC[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(OC)c(OC)c1 ZINC000268887281 207056726 /nfs/dbraw/zinc/05/67/26/207056726.db2.gz ZBKJHZFJRRREKG-CVEARBPZSA-N 1 3 322.449 2.201 20 0 DEADHO COCC[C@@](C)(O)C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000268909758 207076674 /nfs/dbraw/zinc/07/66/74/207076674.db2.gz MYWHGOGAWTVNQH-CRAIPNDOSA-N 1 3 324.465 2.065 20 0 DEADHO CN1CCC(O)(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000268956868 207122136 /nfs/dbraw/zinc/12/21/36/207122136.db2.gz DRJWUJGQLDRTQG-ROUUACIJSA-N 1 3 302.462 2.444 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)CC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000273215597 210592025 /nfs/dbraw/zinc/59/20/25/210592025.db2.gz MATFNDYJXFQAKQ-GOSISDBHSA-N 1 3 317.477 2.446 20 0 DEADHO CC[NH+](CC)CCOc1ccc(NC(=O)CNCC2CC2)cc1 ZINC000269233359 207358531 /nfs/dbraw/zinc/35/85/31/207358531.db2.gz KIGZJWJVQMDIQP-UHFFFAOYSA-N 1 3 319.449 2.345 20 0 DEADHO C[C@@H](N)C[C@H](C)[NH2+]CCCCn1cc(Br)cn1 ZINC000423082550 532964262 /nfs/dbraw/zinc/96/42/62/532964262.db2.gz DJIMZBWDCFIZQU-MNOVXSKESA-N 1 3 303.248 2.141 20 0 DEADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC1(C(=O)N(C)C)CCCC1 ZINC000422738031 532975460 /nfs/dbraw/zinc/97/54/60/532975460.db2.gz YHNSPBONRGRNAV-NVXWUHKLSA-N 1 3 317.477 2.183 20 0 DEADHO C[C@@H](N)[C@H]1COCC[C@H]1[NH2+]CCCO[C@@H](C)c1ccccc1 ZINC000422793922 533003361 /nfs/dbraw/zinc/00/33/61/533003361.db2.gz XRUDRZCQWJDTHE-CYGHRXIMSA-N 1 3 306.450 2.496 20 0 DEADHO COc1cc2nccc(NCC3CC[NH+](C)CC3)c2cc1OC ZINC000413104950 533145820 /nfs/dbraw/zinc/14/58/20/533145820.db2.gz HZPPRRIXZJNUBN-UHFFFAOYSA-N 1 3 315.417 2.428 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000155624771 197072561 /nfs/dbraw/zinc/07/25/61/197072561.db2.gz ZAUWLXFSPYABSC-KSSFIOAISA-N 1 3 317.477 2.449 20 0 DEADHO C[C@H](NC(=O)NC[C@H]1CCCCN1C1CC1)C1CC[NH+](C)CC1 ZINC000683386489 542439878 /nfs/dbraw/zinc/43/98/78/542439878.db2.gz OADJBWOLESWRJF-WMLDXEAASA-N 1 3 322.497 2.033 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000341029579 285258221 /nfs/dbraw/zinc/25/82/21/285258221.db2.gz YDLPFJPCQLVZEJ-LZLYRXPVSA-N 1 3 324.513 2.280 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCC=C(C)C ZINC000359358449 285277706 /nfs/dbraw/zinc/27/77/06/285277706.db2.gz FWJGBPOKDUDXIN-KRWDZBQOSA-N 1 3 324.513 2.400 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCC=C(C)C ZINC000359358449 285277708 /nfs/dbraw/zinc/27/77/08/285277708.db2.gz FWJGBPOKDUDXIN-KRWDZBQOSA-N 1 3 324.513 2.400 20 0 DEADHO C[C@@H](NC(=O)NCCN1CCCC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000683564044 542472078 /nfs/dbraw/zinc/47/20/78/542472078.db2.gz AGEPDUTVQUJDGZ-OAHLLOKOSA-N 1 3 324.513 2.138 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@H]2CC[NH2+][C@H]2CC)N(C)C)cc1 ZINC000289835570 221258890 /nfs/dbraw/zinc/25/88/90/221258890.db2.gz DVKOGGNNSMWFNP-BZSNNMDCSA-N 1 3 317.477 2.356 20 0 DEADHO CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000544875704 285380338 /nfs/dbraw/zinc/38/03/38/285380338.db2.gz LHTWFVALFPZKBT-ZWKOTPCHSA-N 1 3 315.461 2.061 20 0 DEADHO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000544875704 285380342 /nfs/dbraw/zinc/38/03/42/285380342.db2.gz LHTWFVALFPZKBT-ZWKOTPCHSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NC(C)(C)C[NH3+])CCN1Cc1ccccc1 ZINC000417828623 533613602 /nfs/dbraw/zinc/61/36/02/533613602.db2.gz FQVRMGWLDLRNMK-ZBFHGGJFSA-N 1 3 318.465 2.076 20 0 DEADHO CN1CCC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000684792723 542664706 /nfs/dbraw/zinc/66/47/06/542664706.db2.gz XQCQPAWBDJDCGU-NVXWUHKLSA-N 1 3 322.497 2.177 20 0 DEADHO CN1CCC[C@@H](NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000684792723 542664708 /nfs/dbraw/zinc/66/47/08/542664708.db2.gz XQCQPAWBDJDCGU-NVXWUHKLSA-N 1 3 322.497 2.177 20 0 DEADHO CC(C)[NH2+]CCCNC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000562815445 292012900 /nfs/dbraw/zinc/01/29/00/292012900.db2.gz GHUOVPWZIXLQKA-UHFFFAOYSA-N 1 3 320.481 2.148 20 0 DEADHO CCCN1CCC([NH2+][C@@H](C)C(=O)N2Cc3ccccc3C2)CC1 ZINC000355531146 133032031 /nfs/dbraw/zinc/03/20/31/133032031.db2.gz LYYHJWMCJQWEPU-HNNXBMFYSA-N 1 3 315.461 2.381 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000357857729 133105316 /nfs/dbraw/zinc/10/53/16/133105316.db2.gz DAPAVMPWOOGCGG-SOUVJXGZSA-N 1 3 310.486 2.031 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000357857729 133105317 /nfs/dbraw/zinc/10/53/17/133105317.db2.gz DAPAVMPWOOGCGG-SOUVJXGZSA-N 1 3 310.486 2.031 20 0 DEADHO CC1CCN(CCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000359996557 133156680 /nfs/dbraw/zinc/15/66/80/133156680.db2.gz XGADQZNHMKHXMB-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CC1CCN(CCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000359996557 133156681 /nfs/dbraw/zinc/15/66/81/133156681.db2.gz XGADQZNHMKHXMB-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CSCC[C@@H](N)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000362571231 133239541 /nfs/dbraw/zinc/23/95/41/133239541.db2.gz VPMOVTZWABHLDM-LLVKDONJSA-N 1 3 321.368 2.183 20 0 DEADHO CC[NH2+]CCNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000417354269 285595686 /nfs/dbraw/zinc/59/56/86/285595686.db2.gz LRADZYCBVNBEGM-KRWDZBQOSA-N 1 3 318.465 2.041 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000563799298 292073601 /nfs/dbraw/zinc/07/36/01/292073601.db2.gz ORGZKUIIRKIXMH-INIZCTEOSA-N 1 3 324.513 2.410 20 0 DEADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@H](N)c1ccccc1 ZINC000563875322 292077731 /nfs/dbraw/zinc/07/77/31/292077731.db2.gz KKSNHLFTPUPHJV-SJORKVTESA-N 1 3 318.465 2.202 20 0 DEADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@H](N)c1ccccc1 ZINC000563875322 292077732 /nfs/dbraw/zinc/07/77/32/292077732.db2.gz KKSNHLFTPUPHJV-SJORKVTESA-N 1 3 318.465 2.202 20 0 DEADHO CC[C@H]([NH2+]Cc1ccncc1OCCN(C)C)C1CCOCC1 ZINC000564149917 292087076 /nfs/dbraw/zinc/08/70/76/292087076.db2.gz AJLIKGWXVZVPEH-KRWDZBQOSA-N 1 3 321.465 2.317 20 0 DEADHO [NH3+]CCCCC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000564653681 292103666 /nfs/dbraw/zinc/10/36/66/292103666.db2.gz NKQRQWSQNHNOHR-UHFFFAOYSA-N 1 3 309.479 2.205 20 0 DEADHO CN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000350830946 404478983 /nfs/dbraw/zinc/47/89/83/404478983.db2.gz PIYFBZLHKLHGAE-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO c1ccc(CN2CCC([NH2+]CCCN3CCCC3)CC2)nc1 ZINC000564788570 292110604 /nfs/dbraw/zinc/11/06/04/292110604.db2.gz VUBJVPFIXNZCQG-UHFFFAOYSA-N 1 3 302.466 2.122 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@@H]3C=CCCC3)CC2)CC1 ZINC000188833970 145018058 /nfs/dbraw/zinc/01/80/58/145018058.db2.gz MSSZAHPPYQUCNF-MRXNPFEDSA-N 1 3 319.493 2.408 20 0 DEADHO CCOC[C@@H]1CCN(C[C@@H](C)C[N@@H+]2CC[C@H](COCC)C2)C1 ZINC000246145020 145093526 /nfs/dbraw/zinc/09/35/26/145093526.db2.gz GSZHNLNXQJAZHA-NNZMDNLPSA-N 1 3 312.498 2.339 20 0 DEADHO CCOC[C@@H]1CCN(C[C@@H](C)C[N@H+]2CC[C@H](COCC)C2)C1 ZINC000246145020 145093529 /nfs/dbraw/zinc/09/35/29/145093529.db2.gz GSZHNLNXQJAZHA-NNZMDNLPSA-N 1 3 312.498 2.339 20 0 DEADHO CCOC[C@@H]1CC[N@@H+](C[C@@H](C)CN2CC[C@H](COCC)C2)C1 ZINC000246145020 145093531 /nfs/dbraw/zinc/09/35/31/145093531.db2.gz GSZHNLNXQJAZHA-NNZMDNLPSA-N 1 3 312.498 2.339 20 0 DEADHO CCOC[C@@H]1CC[N@H+](C[C@@H](C)CN2CC[C@H](COCC)C2)C1 ZINC000246145020 145093532 /nfs/dbraw/zinc/09/35/32/145093532.db2.gz GSZHNLNXQJAZHA-NNZMDNLPSA-N 1 3 312.498 2.339 20 0 DEADHO COC[C@@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)C(C)C ZINC000248447043 145155538 /nfs/dbraw/zinc/15/55/38/145155538.db2.gz NEQAJSUSJWODQB-QZTJIDSGSA-N 1 3 306.450 2.014 20 0 DEADHO C[C@H](C[S@](C)=O)N[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000248496353 145156891 /nfs/dbraw/zinc/15/68/91/145156891.db2.gz QSGIBEVILZBMEP-LKBUQDJMSA-N 1 3 312.479 2.045 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1CCCCN1Cc1ccccc1)[C@H](C)[NH3+] ZINC000249031796 145175862 /nfs/dbraw/zinc/17/58/62/145175862.db2.gz MAJCKSNTZJCXGD-HLLBOEOZSA-N 1 3 303.450 2.141 20 0 DEADHO CCN(CC)Cc1cccc(NC(=O)COC2CC[NH2+]CC2)c1 ZINC000261733451 145221604 /nfs/dbraw/zinc/22/16/04/145221604.db2.gz MXIBPBUSHTVGAN-UHFFFAOYSA-N 1 3 319.449 2.236 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCC(=O)Nc3cccc(F)c3)C[C@H]21 ZINC000262092907 145260665 /nfs/dbraw/zinc/26/06/65/145260665.db2.gz IBQSXOMANPTPDE-DAXOMENPSA-N 1 3 305.397 2.214 20 0 DEADHO COC[C@@H]1CCCN(C[C@@H](C)C[N@@H+]2CCC[C@H](COC)C2)C1 ZINC000346640030 146115452 /nfs/dbraw/zinc/11/54/52/146115452.db2.gz IFZMMZHQUGDZOC-NNZMDNLPSA-N 1 3 312.498 2.339 20 0 DEADHO COC[C@@H]1CCCN(C[C@@H](C)C[N@H+]2CCC[C@H](COC)C2)C1 ZINC000346640030 146115454 /nfs/dbraw/zinc/11/54/54/146115454.db2.gz IFZMMZHQUGDZOC-NNZMDNLPSA-N 1 3 312.498 2.339 20 0 DEADHO COC[C@@H]1CCC[N@@H+](C[C@@H](C)CN2CCC[C@H](COC)C2)C1 ZINC000346640030 146115455 /nfs/dbraw/zinc/11/54/55/146115455.db2.gz IFZMMZHQUGDZOC-NNZMDNLPSA-N 1 3 312.498 2.339 20 0 DEADHO COC[C@@H]1CCC[N@H+](C[C@@H](C)CN2CCC[C@H](COC)C2)C1 ZINC000346640030 146115457 /nfs/dbraw/zinc/11/54/57/146115457.db2.gz IFZMMZHQUGDZOC-NNZMDNLPSA-N 1 3 312.498 2.339 20 0 DEADHO COCCOc1ccccc1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000346836762 146151249 /nfs/dbraw/zinc/15/12/49/146151249.db2.gz VOHXMPFYVLPMPP-BHYGNILZSA-N 1 3 304.434 2.271 20 0 DEADHO C[NH2+]CC1CCN(Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000347003937 146178021 /nfs/dbraw/zinc/17/80/21/146178021.db2.gz ADPKXYCKQYJGDR-UHFFFAOYSA-N 1 3 302.397 2.443 20 0 DEADHO CCC[N@H+](Cc1cc(OC)c2c(c1)OCCO2)C1CCNCC1 ZINC000347014945 146179977 /nfs/dbraw/zinc/17/99/77/146179977.db2.gz AVQNJNSALYZMQJ-UHFFFAOYSA-N 1 3 320.433 2.430 20 0 DEADHO CCC[N@@H+](Cc1cc(OC)c2c(c1)OCCO2)C1CCNCC1 ZINC000347014945 146179979 /nfs/dbraw/zinc/17/99/79/146179979.db2.gz AVQNJNSALYZMQJ-UHFFFAOYSA-N 1 3 320.433 2.430 20 0 DEADHO Cc1nn(C)c2ncc(CN3CCC([C@@H]4CCC[NH2+]4)CC3)cc12 ZINC000347019203 146181418 /nfs/dbraw/zinc/18/14/18/146181418.db2.gz LTLAMKPPVZWUJM-KRWDZBQOSA-N 1 3 313.449 2.241 20 0 DEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC2CCN(C)CC2)C1 ZINC000347047682 146186238 /nfs/dbraw/zinc/18/62/38/146186238.db2.gz VJZPZDDUPLKQGE-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CC2CCN(C)CC2)C1 ZINC000347047682 146186240 /nfs/dbraw/zinc/18/62/40/146186240.db2.gz VJZPZDDUPLKQGE-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO COC(=O)[C@H](C)Oc1ccc(CN2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000347094317 146193095 /nfs/dbraw/zinc/19/30/95/146193095.db2.gz HHNNJFILHLPITH-KGLIPLIRSA-N 1 3 320.433 2.186 20 0 DEADHO CC[C@@H]1CC[C@H]1[NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000348371117 146262440 /nfs/dbraw/zinc/26/24/40/146262440.db2.gz FEAIVLYIVJQAQI-KURKYZTESA-N 1 3 317.477 2.054 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000348642075 146294493 /nfs/dbraw/zinc/29/44/93/146294493.db2.gz NBUODCFLMNWUDD-IXDOHACOSA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000348642075 146294495 /nfs/dbraw/zinc/29/44/95/146294495.db2.gz NBUODCFLMNWUDD-IXDOHACOSA-N 1 3 324.513 2.280 20 0 DEADHO Cc1ccc(NC(=O)N[C@@H](C)C[NH+](C)C)c(OCCN(C)C)c1 ZINC000287206532 292153450 /nfs/dbraw/zinc/15/34/50/292153450.db2.gz GRCDIEZTEGNKPY-AWEZNQCLSA-N 1 3 322.453 2.007 20 0 DEADHO Cc1ccc(NC(=O)N[C@@H](C)CN(C)C)c(OCC[NH+](C)C)c1 ZINC000287206532 292153453 /nfs/dbraw/zinc/15/34/53/292153453.db2.gz GRCDIEZTEGNKPY-AWEZNQCLSA-N 1 3 322.453 2.007 20 0 DEADHO C[C@@H](C(=O)NCCc1ccccc1)N1CCC(C[NH+](C)C)CC1 ZINC000356572830 146936700 /nfs/dbraw/zinc/93/67/00/146936700.db2.gz SNUVNYLEHKRATH-INIZCTEOSA-N 1 3 317.477 2.007 20 0 DEADHO C[C@@H](CN(C)C)NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000358511968 147147756 /nfs/dbraw/zinc/14/77/56/147147756.db2.gz XVQKTSHIVDAHRB-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)NCCC1CCCCC1 ZINC000358513955 147148472 /nfs/dbraw/zinc/14/84/72/147148472.db2.gz WVOBAZMRBRVOCS-UHFFFAOYSA-N 1 3 307.482 2.149 20 0 DEADHO Cc1cccc(NC(=O)[C@@H](C)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358522038 147149071 /nfs/dbraw/zinc/14/90/71/147149071.db2.gz ZIHOCINJRURKHF-OAHLLOKOSA-N 1 3 301.434 2.398 20 0 DEADHO C[C@@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)C1CCOCC1 ZINC000359242511 147289647 /nfs/dbraw/zinc/28/96/47/147289647.db2.gz QBLMJRNNUYDRNO-DNVCBOLYSA-N 1 3 318.461 2.158 20 0 DEADHO CCCN(C)CC(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000359260410 147293468 /nfs/dbraw/zinc/29/34/68/147293468.db2.gz IGFZOJOFMPFQCI-UHFFFAOYSA-N 1 3 305.466 2.439 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cc(N(C)C)nc2ccccc21 ZINC000565660383 292175413 /nfs/dbraw/zinc/17/54/13/292175413.db2.gz OGAQYDOMLDDRLM-RYUDHWBXSA-N 1 3 300.406 2.156 20 0 DEADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)/C=C/CN(C)C)C2)CC1 ZINC000371706297 148132938 /nfs/dbraw/zinc/13/29/38/148132938.db2.gz QPPJCUPXOKMGRP-QQOXCAACSA-N 1 3 307.482 2.075 20 0 DEADHO CCN(CC)Cc1cccc(NC(=O)[C@H]2C[C@]23CC[NH2+]C3)c1 ZINC000372431959 148207797 /nfs/dbraw/zinc/20/77/97/148207797.db2.gz QFULIJPCOXDXIQ-AEFFLSMTSA-N 1 3 301.434 2.467 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]C[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC000166240734 286059076 /nfs/dbraw/zinc/05/90/76/286059076.db2.gz IEGIKFUFYXKBCI-NXHRZFHOSA-N 1 3 311.514 2.053 20 0 DEADHO Cc1nccnc1CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000565945151 292192529 /nfs/dbraw/zinc/19/25/29/292192529.db2.gz WAGWBFHEOQIFTL-MJGOQNOKSA-N 1 3 324.428 2.173 20 0 DEADHO CCN(Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)C2)cc1)C1CC1 ZINC000110651414 401692487 /nfs/dbraw/zinc/69/24/87/401692487.db2.gz PJZRZVJHABLEML-INIZCTEOSA-N 1 3 315.461 2.352 20 0 DEADHO CCN(Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1)C1CC1 ZINC000110651414 401692489 /nfs/dbraw/zinc/69/24/89/401692489.db2.gz PJZRZVJHABLEML-INIZCTEOSA-N 1 3 315.461 2.352 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000071923557 401697983 /nfs/dbraw/zinc/69/79/83/401697983.db2.gz SNOVSYSRJKGVMZ-SJORKVTESA-N 1 3 324.513 2.282 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)NCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000071923557 401697986 /nfs/dbraw/zinc/69/79/86/401697986.db2.gz SNOVSYSRJKGVMZ-SJORKVTESA-N 1 3 324.513 2.282 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)[NH+]1CCC(C)CC1 ZINC000126875027 401712086 /nfs/dbraw/zinc/71/20/86/401712086.db2.gz XRFUEDQETCDCGX-ARFHVFGLSA-N 1 3 322.497 2.031 20 0 DEADHO CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(C)C ZINC000129245842 401800666 /nfs/dbraw/zinc/80/06/66/401800666.db2.gz FEDAVFQAMVBHRZ-KRWDZBQOSA-N 1 3 303.450 2.239 20 0 DEADHO C[C@@H](CC[NH2+]C[C@@H](O)COc1ccccc1)N1CCCCC1 ZINC000566132046 292208826 /nfs/dbraw/zinc/20/88/26/292208826.db2.gz JFNNKWZKRXIFQV-DLBZAZTESA-N 1 3 306.450 2.280 20 0 DEADHO CC[C@H]1CCCC[C@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000077777932 401830972 /nfs/dbraw/zinc/83/09/72/401830972.db2.gz QWUISUWDYCWDFZ-JKSUJKDBSA-N 1 3 312.502 2.090 20 0 DEADHO CN1CCC(NC(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000078511917 401853835 /nfs/dbraw/zinc/85/38/35/401853835.db2.gz FJWZQDXVCBRPJX-UHFFFAOYSA-N 1 3 310.486 2.034 20 0 DEADHO CN1CCC(NC(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000078511917 401853838 /nfs/dbraw/zinc/85/38/38/401853838.db2.gz FJWZQDXVCBRPJX-UHFFFAOYSA-N 1 3 310.486 2.034 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@H]2CCC(C)C)CC1 ZINC000135321204 401936203 /nfs/dbraw/zinc/93/62/03/401936203.db2.gz JMGBVNWVIXNGIM-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000134623022 401908890 /nfs/dbraw/zinc/90/88/90/401908890.db2.gz TTXCHKADJYBJPC-YQQAZPJKSA-N 1 3 304.434 2.215 20 0 DEADHO CN(CCC(=O)Nc1ccccc1F)C[C@H]1CCC[N@H+](C)C1 ZINC000118841818 401911846 /nfs/dbraw/zinc/91/18/46/401911846.db2.gz GTTGCXVOXFKNQA-AWEZNQCLSA-N 1 3 307.413 2.428 20 0 DEADHO CN(CCC(=O)Nc1ccccc1F)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841818 401911848 /nfs/dbraw/zinc/91/18/48/401911848.db2.gz GTTGCXVOXFKNQA-AWEZNQCLSA-N 1 3 307.413 2.428 20 0 DEADHO CCN1CCN(Cc2ccccc2C[NH2+]Cc2cc[nH]c2)CC1 ZINC000086251129 401922052 /nfs/dbraw/zinc/92/20/52/401922052.db2.gz WKDAGHBZWWDSND-UHFFFAOYSA-N 1 3 312.461 2.442 20 0 DEADHO CC[N@@H+]1CC[C@H](NC[C@@H](CC(C)C)N2CCOCC2)[C@H](C)C1 ZINC000120226070 401983249 /nfs/dbraw/zinc/98/32/49/401983249.db2.gz HOZLYWJWLQVQJE-KURKYZTESA-N 1 3 311.514 2.053 20 0 DEADHO CC[N@H+]1CC[C@H](NC[C@@H](CC(C)C)N2CCOCC2)[C@H](C)C1 ZINC000120226070 401983252 /nfs/dbraw/zinc/98/32/52/401983252.db2.gz HOZLYWJWLQVQJE-KURKYZTESA-N 1 3 311.514 2.053 20 0 DEADHO C[C@@H](CCCO)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000151156985 402019973 /nfs/dbraw/zinc/01/99/73/402019973.db2.gz YEGOCCFXMLUCAZ-INIZCTEOSA-N 1 3 319.493 2.468 20 0 DEADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2cccc(CO)c2)CC1 ZINC000121203984 402020355 /nfs/dbraw/zinc/02/03/55/402020355.db2.gz UTZKZCGYJMDQDJ-KRWDZBQOSA-N 1 3 319.493 2.247 20 0 DEADHO O=C1[C@H](N2CCC(CCC[NH+]3CCCC3)CC2)CCN1C1CC1 ZINC000121592694 402045905 /nfs/dbraw/zinc/04/59/05/402045905.db2.gz MDZXXTPNTQFOGI-GOSISDBHSA-N 1 3 319.493 2.338 20 0 DEADHO CCO[C@H](CC[NH+](C)C)CNCc1c[nH]nc1-c1ccc(C)o1 ZINC000150990755 402009447 /nfs/dbraw/zinc/00/94/47/402009447.db2.gz CLTFBOGIGXWUDK-OAHLLOKOSA-N 1 3 320.437 2.425 20 0 DEADHO CC[C@H](C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1)N(C)C ZINC000123546948 402133394 /nfs/dbraw/zinc/13/33/94/402133394.db2.gz RAOZCAFKFCDHJD-QGZVFWFLSA-N 1 3 305.466 2.483 20 0 DEADHO CC[C@H](C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1)N(C)C ZINC000123546948 402133396 /nfs/dbraw/zinc/13/33/96/402133396.db2.gz RAOZCAFKFCDHJD-QGZVFWFLSA-N 1 3 305.466 2.483 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCCN(C)C1 ZINC000066704538 402140123 /nfs/dbraw/zinc/14/01/23/402140123.db2.gz MRMRMWJQSYLPLE-DLBZAZTESA-N 1 3 324.513 2.282 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCCN(C)C1 ZINC000066704538 402140124 /nfs/dbraw/zinc/14/01/24/402140124.db2.gz MRMRMWJQSYLPLE-DLBZAZTESA-N 1 3 324.513 2.282 20 0 DEADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H](C)N1 ZINC000154085889 402191542 /nfs/dbraw/zinc/19/15/42/402191542.db2.gz NGWOIHVEVHCKGE-JFIYKMOQSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)N1 ZINC000154085889 402191545 /nfs/dbraw/zinc/19/15/45/402191545.db2.gz NGWOIHVEVHCKGE-JFIYKMOQSA-N 1 3 315.461 2.107 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)N1CCCCC1 ZINC000566292785 292226181 /nfs/dbraw/zinc/22/61/81/292226181.db2.gz CEHZBXGUFORHEF-ULQDDVLXSA-N 1 3 309.498 2.378 20 0 DEADHO Cc1ccc([C@H](CNC(=O)NCC[N@@H+](C)C(C)C)N(C)C)cc1 ZINC000102005158 402161428 /nfs/dbraw/zinc/16/14/28/402161428.db2.gz GQSCRFNCJRBXLP-KRWDZBQOSA-N 1 3 320.481 2.237 20 0 DEADHO Cc1ccc([C@H](CNC(=O)NCC[N@H+](C)C(C)C)N(C)C)cc1 ZINC000102005158 402161431 /nfs/dbraw/zinc/16/14/31/402161431.db2.gz GQSCRFNCJRBXLP-KRWDZBQOSA-N 1 3 320.481 2.237 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000125486313 402235472 /nfs/dbraw/zinc/23/54/72/402235472.db2.gz KBELVHFPMZUHHG-HZPDHXFCSA-N 1 3 324.513 2.423 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cnn(C(C)C)c2)CC1 ZINC000155725860 402265863 /nfs/dbraw/zinc/26/58/63/402265863.db2.gz GMDJVZJMTZCFML-JKSUJKDBSA-N 1 3 307.486 2.141 20 0 DEADHO CC(C)[C@@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)N(C)C ZINC000155882015 402269437 /nfs/dbraw/zinc/26/94/37/402269437.db2.gz PWXIHZAKYLUUIP-KRWDZBQOSA-N 1 3 309.498 2.486 20 0 DEADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CNC1CC1 ZINC000236903490 402387188 /nfs/dbraw/zinc/38/71/88/402387188.db2.gz HXLWEMUSLUQQKD-KRWDZBQOSA-N 1 3 315.461 2.109 20 0 DEADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CNC1CC1 ZINC000236903490 402387191 /nfs/dbraw/zinc/38/71/91/402387191.db2.gz HXLWEMUSLUQQKD-KRWDZBQOSA-N 1 3 315.461 2.109 20 0 DEADHO CC(C)C[C@H](CNC(=O)[C@H](C)[C@@H](N)c1ccccc1)[NH+](C)C ZINC000236631545 402369690 /nfs/dbraw/zinc/36/96/90/402369690.db2.gz RLQMJCNALVTMAS-DJIMGWMZSA-N 1 3 305.466 2.415 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000236651551 402371117 /nfs/dbraw/zinc/37/11/17/402371117.db2.gz XARGGYGJWQAKLM-IRXDYDNUSA-N 1 3 303.450 2.171 20 0 DEADHO CC1CCN([C@H](CNC(=O)[C@H]2CC[NH2+]C2)c2cccs2)CC1 ZINC000236661523 402372037 /nfs/dbraw/zinc/37/20/37/402372037.db2.gz GHGBKIRNOMTNLQ-LSDHHAIUSA-N 1 3 321.490 2.247 20 0 DEADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000236753476 402380223 /nfs/dbraw/zinc/38/02/23/402380223.db2.gz ATGBLXHOYTVKHK-USXIJHARSA-N 1 3 305.466 2.415 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)N(C)CCN(C)C2CC2)CC1 ZINC000185148768 402328314 /nfs/dbraw/zinc/32/83/14/402328314.db2.gz JDPQVWVTFZFSIX-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)N(C)CC[NH+](C)C ZINC000176807468 402339327 /nfs/dbraw/zinc/33/93/27/402339327.db2.gz GTSPBGJRJLOQAU-UHFFFAOYSA-N 1 3 303.406 2.128 20 0 DEADHO C[NH2+]C[C@H](C)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000237328430 402404589 /nfs/dbraw/zinc/40/45/89/402404589.db2.gz UYNVDKSJCMJFSD-GUTXKFCHSA-N 1 3 309.479 2.103 20 0 DEADHO CC[NH+](CC)CCC[C@H](C)NC(=O)C1(N)Cc2ccccc2C1 ZINC000163429311 402449850 /nfs/dbraw/zinc/44/98/50/402449850.db2.gz AQQPACZTOPDDNM-HNNXBMFYSA-N 1 3 317.477 2.109 20 0 DEADHO CC[C@H](C)[C@@H]([NH3+])C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000237060635 402393790 /nfs/dbraw/zinc/39/37/90/402393790.db2.gz UAGSPLAJOQJIRU-WMLDXEAASA-N 1 3 317.477 2.313 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000237070936 402393862 /nfs/dbraw/zinc/39/38/62/402393862.db2.gz SDFJBHKJZHNCRA-UHFFFAOYSA-N 1 3 315.461 2.352 20 0 DEADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000166002155 402480788 /nfs/dbraw/zinc/48/07/88/402480788.db2.gz KIKBMQSAHVUGPE-HOCLYGCPSA-N 1 3 322.449 2.465 20 0 DEADHO COCCOCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245749165 402485596 /nfs/dbraw/zinc/48/55/96/402485596.db2.gz TUFBPYYNNQNIKJ-REPLKXPHSA-N 1 3 318.461 2.435 20 0 DEADHO COCCOCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245749165 402485598 /nfs/dbraw/zinc/48/55/98/402485598.db2.gz TUFBPYYNNQNIKJ-REPLKXPHSA-N 1 3 318.461 2.435 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000245876150 402493186 /nfs/dbraw/zinc/49/31/86/402493186.db2.gz IEYGRBWKHYVAGD-YVSFHVDLSA-N 1 3 322.497 2.127 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000167790280 402493785 /nfs/dbraw/zinc/49/37/85/402493785.db2.gz MJHAUPSWRPBGID-MAUKXSAKSA-N 1 3 315.461 2.470 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000246739387 402542677 /nfs/dbraw/zinc/54/26/77/402542677.db2.gz AXFZURZIKNNIRQ-IAGOWNOFSA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000246739387 402542681 /nfs/dbraw/zinc/54/26/81/402542681.db2.gz AXFZURZIKNNIRQ-IAGOWNOFSA-N 1 3 324.513 2.138 20 0 DEADHO CCn1cc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000246850259 402547293 /nfs/dbraw/zinc/54/72/93/402547293.db2.gz BKRBSGJHWMGKPB-JYJNAYRXSA-N 1 3 308.470 2.443 20 0 DEADHO CC[N@@H+]1CC[C@@H](NCc2ccccc2OCCN(C)C)[C@@H](C)C1 ZINC000247185003 402559627 /nfs/dbraw/zinc/55/96/27/402559627.db2.gz ZKUPSKQGBAFUAE-FUHWJXTLSA-N 1 3 319.493 2.447 20 0 DEADHO CC[N@H+]1CC[C@@H](NCc2ccccc2OCCN(C)C)[C@@H](C)C1 ZINC000247185003 402559629 /nfs/dbraw/zinc/55/96/29/402559629.db2.gz ZKUPSKQGBAFUAE-FUHWJXTLSA-N 1 3 319.493 2.447 20 0 DEADHO CN(CC1CC[NH2+]CC1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000178972891 402560652 /nfs/dbraw/zinc/56/06/52/402560652.db2.gz QXKFRBXAWXDYKO-INIZCTEOSA-N 1 3 321.852 2.377 20 0 DEADHO CC[N@@H+]1CC[C@@H](NCCN2CCc3sccc3C2)[C@@H](C)C1 ZINC000247247486 402561755 /nfs/dbraw/zinc/56/17/55/402561755.db2.gz ZIOGEWGNZFTXAZ-GOEBONIOSA-N 1 3 307.507 2.426 20 0 DEADHO CC[N@H+]1CC[C@@H](NCCN2CCc3sccc3C2)[C@@H](C)C1 ZINC000247247486 402561758 /nfs/dbraw/zinc/56/17/58/402561758.db2.gz ZIOGEWGNZFTXAZ-GOEBONIOSA-N 1 3 307.507 2.426 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CC[C@@H](CN(C)C)C2)c1C ZINC000247461513 402567754 /nfs/dbraw/zinc/56/77/54/402567754.db2.gz QVTDYBRFVFCVIL-ZWKOTPCHSA-N 1 3 320.477 2.235 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CC[C@@H](CN(C)C)C2)c1C ZINC000247461513 402567756 /nfs/dbraw/zinc/56/77/56/402567756.db2.gz QVTDYBRFVFCVIL-ZWKOTPCHSA-N 1 3 320.477 2.235 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000178723112 402530854 /nfs/dbraw/zinc/53/08/54/402530854.db2.gz DPQUBVSULKBDLA-QGZVFWFLSA-N 1 3 317.477 2.309 20 0 DEADHO CCC[C@@H](N)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000178731263 402532098 /nfs/dbraw/zinc/53/20/98/402532098.db2.gz TXEUEXJFZPDWQL-QGZVFWFLSA-N 1 3 303.450 2.142 20 0 DEADHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc2c(c1)CCO2 ZINC000178778251 402538656 /nfs/dbraw/zinc/53/86/56/402538656.db2.gz MJJBACLGDZBTLL-MRXNPFEDSA-N 1 3 317.477 2.300 20 0 DEADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1CCCCN1CC ZINC000190170700 402581249 /nfs/dbraw/zinc/58/12/49/402581249.db2.gz BHENQGPFELWXGN-KRWDZBQOSA-N 1 3 324.513 2.378 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC1CCN(C2CC2)CC1 ZINC000249774987 402641921 /nfs/dbraw/zinc/64/19/21/402641921.db2.gz MSVAHNAQUULXGW-CABCVRRESA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC1CCN(C2CC2)CC1 ZINC000249774987 402641922 /nfs/dbraw/zinc/64/19/22/402641922.db2.gz MSVAHNAQUULXGW-CABCVRRESA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000566438637 292240660 /nfs/dbraw/zinc/24/06/60/292240660.db2.gz RBXCQJVNBXFXHF-WBVHZDCISA-N 1 3 315.461 2.107 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000566438637 292240662 /nfs/dbraw/zinc/24/06/62/292240662.db2.gz RBXCQJVNBXFXHF-WBVHZDCISA-N 1 3 315.461 2.107 20 0 DEADHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000182659471 402706997 /nfs/dbraw/zinc/70/69/97/402706997.db2.gz VDZRGCHCOSFAJG-QGZVFWFLSA-N 1 3 324.490 2.194 20 0 DEADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000182659471 402706999 /nfs/dbraw/zinc/70/69/99/402706999.db2.gz VDZRGCHCOSFAJG-QGZVFWFLSA-N 1 3 324.490 2.194 20 0 DEADHO CC(C)N(C)Cc1cccc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)c1 ZINC000182659471 402707002 /nfs/dbraw/zinc/70/70/02/402707002.db2.gz VDZRGCHCOSFAJG-QGZVFWFLSA-N 1 3 324.490 2.194 20 0 DEADHO CC[C@H](CO)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000182695337 402709314 /nfs/dbraw/zinc/70/93/14/402709314.db2.gz MSJDSBABDMFKQO-MRXNPFEDSA-N 1 3 305.466 2.078 20 0 DEADHO COCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CCOCC1 ZINC000423133330 292247492 /nfs/dbraw/zinc/24/74/92/292247492.db2.gz QDMVOWMPQXBDGC-GVDBMIGSSA-N 1 3 310.482 2.330 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)N(C)C1CC1 ZINC000174739444 402754688 /nfs/dbraw/zinc/75/46/88/402754688.db2.gz TZPVBOBVZISLNY-ZBFHGGJFSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)N(C)C1CC1 ZINC000174739444 402754691 /nfs/dbraw/zinc/75/46/91/402754691.db2.gz TZPVBOBVZISLNY-ZBFHGGJFSA-N 1 3 322.497 2.033 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000175136819 402782438 /nfs/dbraw/zinc/78/24/38/402782438.db2.gz ITUPCSJVZXCXPG-KRWDZBQOSA-N 1 3 324.513 2.426 20 0 DEADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262373468 402724836 /nfs/dbraw/zinc/72/48/36/402724836.db2.gz MAQPVPZTPVGMMS-UIBIWLFHSA-N 1 3 307.482 2.003 20 0 DEADHO CN1CCC[C@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000175748206 402829427 /nfs/dbraw/zinc/82/94/27/402829427.db2.gz IQOPBSUTOHSOGQ-OAHLLOKOSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@H](N[C@@H]1C=C[C@H](CO)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274823528 403091480 /nfs/dbraw/zinc/09/14/80/403091480.db2.gz BXTGGMMUGMMZCZ-GDAAHCPNSA-N 1 3 300.446 2.424 20 0 DEADHO C[C@H](N[C@@H]1C=C[C@H](CO)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274823528 403091482 /nfs/dbraw/zinc/09/14/82/403091482.db2.gz BXTGGMMUGMMZCZ-GDAAHCPNSA-N 1 3 300.446 2.424 20 0 DEADHO CC(C)[NH+]1CCC(O)(CNCC2=Cc3ccccc3OC2)CC1 ZINC000268406029 403080531 /nfs/dbraw/zinc/08/05/31/403080531.db2.gz FRUKVPKIXWIQAL-UHFFFAOYSA-N 1 3 316.445 2.287 20 0 DEADHO COCc1cccc(CNCC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000268461599 403085203 /nfs/dbraw/zinc/08/52/03/403085203.db2.gz ZGTGJPOAHGFIGW-UHFFFAOYSA-N 1 3 306.450 2.158 20 0 DEADHO CC(C)C(=O)NCCN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268707961 403108595 /nfs/dbraw/zinc/10/85/95/403108595.db2.gz FIDAJMIBEQEMID-SJLPKXTDSA-N 1 3 317.477 2.259 20 0 DEADHO CC(C)C(=O)NCCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268707961 403108596 /nfs/dbraw/zinc/10/85/96/403108596.db2.gz FIDAJMIBEQEMID-SJLPKXTDSA-N 1 3 317.477 2.259 20 0 DEADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000268781291 403113134 /nfs/dbraw/zinc/11/31/34/403113134.db2.gz YDNDOJGFUXUIFJ-JKIFEVAISA-N 1 3 303.450 2.207 20 0 DEADHO CCN1CC[C@@H]([NH2+]Cc2ccc(CS(C)(=O)=O)cc2)[C@@H](C)C1 ZINC000268764802 403111976 /nfs/dbraw/zinc/11/19/76/403111976.db2.gz BFQZRPRTWPJNMN-WMLDXEAASA-N 1 3 324.490 2.051 20 0 DEADHO Cc1ccc(C[C@H]([NH2+]CC2(O)CCN(C)CC2)C2CC2)cc1 ZINC000269005358 403122400 /nfs/dbraw/zinc/12/24/00/403122400.db2.gz QGZRWHKZLDEHRK-SFHVURJKSA-N 1 3 302.462 2.362 20 0 DEADHO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC1(O)CCN(C)CC1 ZINC000269052798 403122895 /nfs/dbraw/zinc/12/28/95/403122895.db2.gz RKPGLESPVHUUKT-MRXNPFEDSA-N 1 3 304.434 2.255 20 0 DEADHO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282119331 403124642 /nfs/dbraw/zinc/12/46/42/403124642.db2.gz AQJDOPKABHIESY-SJLPKXTDSA-N 1 3 319.493 2.378 20 0 DEADHO COCC[N@H+](C)CCCNCc1ccc(-c2cnn(C)c2)s1 ZINC000282243716 403136214 /nfs/dbraw/zinc/13/62/14/403136214.db2.gz MIDNADIECOEEFP-UHFFFAOYSA-N 1 3 322.478 2.207 20 0 DEADHO COCC[N@@H+](C)CCCNCc1ccc(-c2cnn(C)c2)s1 ZINC000282243716 403136216 /nfs/dbraw/zinc/13/62/16/403136216.db2.gz MIDNADIECOEEFP-UHFFFAOYSA-N 1 3 322.478 2.207 20 0 DEADHO CN(C)C1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)Cc2ccccc2C1 ZINC000339071015 403343994 /nfs/dbraw/zinc/34/39/94/403343994.db2.gz OPXRHXGOTRSAMX-MOPGFXCFSA-N 1 3 313.489 2.302 20 0 DEADHO CN(C)C1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)Cc2ccccc2C1 ZINC000339071015 403343997 /nfs/dbraw/zinc/34/39/97/403343997.db2.gz OPXRHXGOTRSAMX-MOPGFXCFSA-N 1 3 313.489 2.302 20 0 DEADHO C[C@@H](C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C)N1[C@H](C)CC[C@H]1C ZINC000342750391 403334206 /nfs/dbraw/zinc/33/42/06/403334206.db2.gz BKCXBNIANGDKTQ-MTSZKFMLSA-N 1 3 307.482 2.333 20 0 DEADHO CC[C@@H](C(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1)N(C)C ZINC000298520773 403403986 /nfs/dbraw/zinc/40/39/86/403403986.db2.gz IGNICWWESCGKRU-INIZCTEOSA-N 1 3 305.466 2.353 20 0 DEADHO CC[C@@H](C(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1)N(C)C ZINC000298520773 403403988 /nfs/dbraw/zinc/40/39/88/403403988.db2.gz IGNICWWESCGKRU-INIZCTEOSA-N 1 3 305.466 2.353 20 0 DEADHO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000285976379 403423355 /nfs/dbraw/zinc/42/33/55/403423355.db2.gz HNMOMVJUVQFPNZ-VKJFTORMSA-N 1 3 315.461 2.399 20 0 DEADHO CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CCCN(C)[C@@H]2C)CC1 ZINC000345735829 403462207 /nfs/dbraw/zinc/46/22/07/403462207.db2.gz DBZNWSKLZBYKFL-NVXWUHKLSA-N 1 3 324.513 2.233 20 0 DEADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000566857156 292272980 /nfs/dbraw/zinc/27/29/80/292272980.db2.gz LBDIDTIFCWPVSA-UONOGXRCSA-N 1 3 305.422 2.083 20 0 DEADHO [NH3+][C@H]1CCC[C@H]1CC(=O)NCCCN1CCc2ccccc2C1 ZINC000340127151 403556618 /nfs/dbraw/zinc/55/66/18/403556618.db2.gz UQEDMVVFEDMMBX-WMZOPIPTSA-N 1 3 315.461 2.069 20 0 DEADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)NCCCN1CCc2ccccc2C1 ZINC000340127145 403556650 /nfs/dbraw/zinc/55/66/50/403556650.db2.gz UQEDMVVFEDMMBX-FUHWJXTLSA-N 1 3 315.461 2.069 20 0 DEADHO O[C@@H]1C[NH2+]C[C@@H]1CNCCCCc1cccc(C(F)(F)F)c1 ZINC000345992330 403562629 /nfs/dbraw/zinc/56/26/29/403562629.db2.gz BPHODWOIVKYJJJ-DZGCQCFKSA-N 1 3 316.367 2.198 20 0 DEADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cccc(F)c1 ZINC000346064356 403572027 /nfs/dbraw/zinc/57/20/27/403572027.db2.gz JASKLKWUUAXVPY-DZGCQCFKSA-N 1 3 307.413 2.064 20 0 DEADHO CC(C)[C@H](O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000340280964 403576486 /nfs/dbraw/zinc/57/64/86/403576486.db2.gz VRWTZGPWGHMXAX-SOLBZPMBSA-N 1 3 312.498 2.215 20 0 DEADHO C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)NCCN(C)C)C1CCC1 ZINC000347263675 403642278 /nfs/dbraw/zinc/64/22/78/403642278.db2.gz ICAFONSWHXQWKJ-CRAIPNDOSA-N 1 3 317.477 2.054 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)CCCN1C ZINC000343600278 403657403 /nfs/dbraw/zinc/65/74/03/403657403.db2.gz JVVNKFJZOAOMHJ-CABCVRRESA-N 1 3 310.486 2.033 20 0 DEADHO CC[NH+](CC)CCO[C@H]1CCN(C[C@H](O)Cc2ccccc2)C1 ZINC000343725562 403708528 /nfs/dbraw/zinc/70/85/28/403708528.db2.gz VZHURSKXPODHSR-MOPGFXCFSA-N 1 3 320.477 2.023 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCCN(C(C)C)CC2)C1 ZINC000340830350 403666897 /nfs/dbraw/zinc/66/68/97/403666897.db2.gz XVYOWXZNBAPFMH-KRWDZBQOSA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCCN(C(C)C)CC2)C1 ZINC000340830350 403666902 /nfs/dbraw/zinc/66/69/02/403666902.db2.gz XVYOWXZNBAPFMH-KRWDZBQOSA-N 1 3 324.513 2.090 20 0 DEADHO CCCN1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000343637402 403672970 /nfs/dbraw/zinc/67/29/70/403672970.db2.gz JOGAYYLBTDTHKM-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CCc1ncc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)s1 ZINC000333204524 403694135 /nfs/dbraw/zinc/69/41/35/403694135.db2.gz YRNDNFZKDSQGPA-UKRRQHHQSA-N 1 3 309.479 2.424 20 0 DEADHO CCc1ncc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)s1 ZINC000333204521 403694349 /nfs/dbraw/zinc/69/43/49/403694349.db2.gz YRNDNFZKDSQGPA-DZGCQCFKSA-N 1 3 309.479 2.424 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)NCC1=CCN(C)CC1 ZINC000343698350 403697315 /nfs/dbraw/zinc/69/73/15/403697315.db2.gz VLKRWWVOIKQVEG-UHFFFAOYSA-N 1 3 310.486 2.060 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000343872807 403770086 /nfs/dbraw/zinc/77/00/86/403770086.db2.gz MOOBMWNTWRVADI-WMZOPIPTSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1ccc2c(c1)CNC2 ZINC000347500154 403732193 /nfs/dbraw/zinc/73/21/93/403732193.db2.gz GXRXNEKUJUMVJZ-KBPBESRZSA-N 1 3 301.434 2.283 20 0 DEADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000347531630 403743281 /nfs/dbraw/zinc/74/32/81/403743281.db2.gz OHUZXIKYKPQLEC-GJZGRUSLSA-N 1 3 315.461 2.388 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000341045791 403749489 /nfs/dbraw/zinc/74/94/89/403749489.db2.gz IEEXVPLHNOKJKG-GOEBONIOSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H](C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)[C@H](N)c1ccccc1 ZINC000295088670 403755998 /nfs/dbraw/zinc/75/59/98/403755998.db2.gz SWOPJYKNTZUPES-JKQORVJESA-N 1 3 303.450 2.204 20 0 DEADHO Cc1cccc(C)c1OC[C@@H](O)CN1CCC(C[NH+](C)C)CC1 ZINC000341181855 403809939 /nfs/dbraw/zinc/80/99/39/403809939.db2.gz FVSBKIQTFKHUIF-SFHVURJKSA-N 1 3 320.477 2.317 20 0 DEADHO C[C@H](CNC(=O)N(C)CCC[NH+]1CCCC1)N1CCC[C@H](C)C1 ZINC000347637138 403786277 /nfs/dbraw/zinc/78/62/77/403786277.db2.gz RSHFASNOOPNZOM-DLBZAZTESA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H](CC1CCOCC1)[NH2+]Cc1ccncc1OCCN(C)C ZINC000343925952 403795239 /nfs/dbraw/zinc/79/52/39/403795239.db2.gz IYALZPDKUCPJBV-OAHLLOKOSA-N 1 3 321.465 2.317 20 0 DEADHO CC1(C)CCCN[C@@H]1C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000333626927 403796773 /nfs/dbraw/zinc/79/67/73/403796773.db2.gz SGQOFAYXGOXMQR-CYBMUJFWSA-N 1 3 322.478 2.327 20 0 DEADHO O[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(F)F ZINC000567165947 292293473 /nfs/dbraw/zinc/29/34/73/292293473.db2.gz DAXMEPAULYTHLZ-LSDHHAIUSA-N 1 3 310.388 2.399 20 0 DEADHO O[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(F)F ZINC000567165947 292293474 /nfs/dbraw/zinc/29/34/74/292293474.db2.gz DAXMEPAULYTHLZ-LSDHHAIUSA-N 1 3 310.388 2.399 20 0 DEADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CCN(C3CCCC3)CC2)CC1 ZINC000333760168 403849824 /nfs/dbraw/zinc/84/98/24/403849824.db2.gz AIDRRSGETZCKAT-WKILWMFISA-N 1 3 322.497 2.021 20 0 DEADHO CCN1CCC(NC(=O)C[NH2+][C@@H]2CCC(C)(C)C[C@H]2C)CC1 ZINC000411546666 403889428 /nfs/dbraw/zinc/88/94/28/403889428.db2.gz BFHSPMKTQNYOOM-GDBMZVCRSA-N 1 3 309.498 2.391 20 0 DEADHO O[C@H](C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)C(F)(F)F ZINC000309673363 403962075 /nfs/dbraw/zinc/96/20/75/403962075.db2.gz USCVLNQLMPCHCK-UONOGXRCSA-N 1 3 302.340 2.021 20 0 DEADHO c1cncc(CN2CCC([NH2+]CCCN3CCCC3)CC2)c1 ZINC000341346401 403922781 /nfs/dbraw/zinc/92/27/81/403922781.db2.gz UPURWKCNLXYEAN-UHFFFAOYSA-N 1 3 302.466 2.122 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCN(CCCc2nc(-c3ccccc3)no2)C1 ZINC000351848627 403958318 /nfs/dbraw/zinc/95/83/18/403958318.db2.gz DOUKWEDEVXHZJN-DZGCQCFKSA-N 1 3 300.406 2.338 20 0 DEADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H](C)NC2CC2)c1 ZINC000295594278 403998565 /nfs/dbraw/zinc/99/85/65/403998565.db2.gz CHAJZDXDZVKMKQ-AWEZNQCLSA-N 1 3 303.450 2.284 20 0 DEADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H](C)NC2CC2)c1 ZINC000295594278 403998572 /nfs/dbraw/zinc/99/85/72/403998572.db2.gz CHAJZDXDZVKMKQ-AWEZNQCLSA-N 1 3 303.450 2.284 20 0 DEADHO CCC[NH2+][C@@H](C)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000295757752 404011394 /nfs/dbraw/zinc/01/13/94/404011394.db2.gz QASRLYYCKBEONL-GJZGRUSLSA-N 1 3 318.465 2.111 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NC[C@H](c2ccccc2)N(C)C)CCC[N@@H+]1C ZINC000344293664 404035674 /nfs/dbraw/zinc/03/56/74/404035674.db2.gz PAPIGVAPWMQVLW-DJIMGWMZSA-N 1 3 318.465 2.071 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NC[C@H](c2ccccc2)N(C)C)CCC[N@H+]1C ZINC000344293664 404035679 /nfs/dbraw/zinc/03/56/79/404035679.db2.gz PAPIGVAPWMQVLW-DJIMGWMZSA-N 1 3 318.465 2.071 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](O)CC2)CC1 ZINC000354729072 403972173 /nfs/dbraw/zinc/97/21/73/403972173.db2.gz HWEUEQDEHGXSMP-GOSISDBHSA-N 1 3 317.477 2.175 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](O)CC2)CC1 ZINC000354729072 403972178 /nfs/dbraw/zinc/97/21/78/403972178.db2.gz HWEUEQDEHGXSMP-GOSISDBHSA-N 1 3 317.477 2.175 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCCN(C)[C@H]2C)C1 ZINC000344290347 404033397 /nfs/dbraw/zinc/03/33/97/404033397.db2.gz NARYXOKSTIKHCP-GVDBMIGSSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCCN(C)[C@H]2C)C1 ZINC000344290347 404033404 /nfs/dbraw/zinc/03/34/04/404033404.db2.gz NARYXOKSTIKHCP-GVDBMIGSSA-N 1 3 324.513 2.136 20 0 DEADHO COCCC[C@@H](C)NCc1ccncc1OCCC[NH+](C)C ZINC000290169485 404068011 /nfs/dbraw/zinc/06/80/11/404068011.db2.gz DQZRWJXQYCEAGX-OAHLLOKOSA-N 1 3 309.454 2.317 20 0 DEADHO C[C@H](NC1CC1)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000296171474 404126742 /nfs/dbraw/zinc/12/67/42/404126742.db2.gz XHGATOOZPPBQOB-AWEZNQCLSA-N 1 3 301.434 2.404 20 0 DEADHO COC[C@H](NCc1ccncc1OCCC[NH+](C)C)C(C)C ZINC000290361230 404139810 /nfs/dbraw/zinc/13/98/10/404139810.db2.gz QTQGRARYQBTHFK-INIZCTEOSA-N 1 3 309.454 2.173 20 0 DEADHO CN(CC[NH+](C)C)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412157225 404164399 /nfs/dbraw/zinc/16/43/99/404164399.db2.gz KSHCKZNLPHQZEV-UHFFFAOYSA-N 1 3 303.450 2.306 20 0 DEADHO CCO[C@H](CC[NH+](C)C)CNCC1=Cc2ccccc2OC1 ZINC000151001647 286442158 /nfs/dbraw/zinc/44/21/58/286442158.db2.gz FCLHAXPRJUMQEL-QGZVFWFLSA-N 1 3 304.434 2.409 20 0 DEADHO CC(C)OCC[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000349887070 404246343 /nfs/dbraw/zinc/24/63/43/404246343.db2.gz YNLPYLUJQFGALF-BQFCYCMXSA-N 1 3 312.498 2.405 20 0 DEADHO CC(C)OCC[C@H](O)CN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000349887070 404246354 /nfs/dbraw/zinc/24/63/54/404246354.db2.gz YNLPYLUJQFGALF-BQFCYCMXSA-N 1 3 312.498 2.405 20 0 DEADHO CC(C)OCC[C@H](O)CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000349887070 404246367 /nfs/dbraw/zinc/24/63/67/404246367.db2.gz YNLPYLUJQFGALF-BQFCYCMXSA-N 1 3 312.498 2.405 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N2CCN(C3CCC3)C[C@H](C)C2)CC1 ZINC000344700564 404316578 /nfs/dbraw/zinc/31/65/78/404316578.db2.gz PHZGVFADSKHKKR-INIZCTEOSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@H]1CN(CCC2CC[NH+](CCC(C)(C)O)CC2)C[C@H](C)O1 ZINC000370215293 404370702 /nfs/dbraw/zinc/37/07/02/404370702.db2.gz KYQPGNOXASJPBT-HOTGVXAUSA-N 1 3 312.498 2.359 20 0 DEADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]C1CCN(C(C)=O)CC1 ZINC000344824570 404389681 /nfs/dbraw/zinc/38/96/81/404389681.db2.gz MTNAVEJNQSGSOO-SJLPKXTDSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC([N@H+](C)Cc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000350519611 404411672 /nfs/dbraw/zinc/41/16/72/404411672.db2.gz ZIQSWPUQBUGOAL-UHFFFAOYSA-N 1 3 317.433 2.438 20 0 DEADHO CCCN1CCC([N@@H+](C)Cc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000350519611 404411681 /nfs/dbraw/zinc/41/16/81/404411681.db2.gz ZIQSWPUQBUGOAL-UHFFFAOYSA-N 1 3 317.433 2.438 20 0 DEADHO O=C(N[C@H]1CCN(C2CC2)C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338579299 404413657 /nfs/dbraw/zinc/41/36/57/404413657.db2.gz HZCZIJOSOWRSEJ-KRWDZBQOSA-N 1 3 313.445 2.249 20 0 DEADHO C[C@H]1CN(C2CCN(CC[C@H]3CCCC[N@@H+]3C)CC2)CCO1 ZINC000351225418 404531923 /nfs/dbraw/zinc/53/19/23/404531923.db2.gz LMWSJRLJORJNJH-DLBZAZTESA-N 1 3 309.498 2.046 20 0 DEADHO C[C@H]1CN(C2CCN(CC[C@H]3CCCC[N@H+]3C)CC2)CCO1 ZINC000351225418 404531927 /nfs/dbraw/zinc/53/19/27/404531927.db2.gz LMWSJRLJORJNJH-DLBZAZTESA-N 1 3 309.498 2.046 20 0 DEADHO C[C@H]1CN(C2CC[NH+](CC[C@H]3CCCCN3C)CC2)CCO1 ZINC000351225418 404531930 /nfs/dbraw/zinc/53/19/30/404531930.db2.gz LMWSJRLJORJNJH-DLBZAZTESA-N 1 3 309.498 2.046 20 0 DEADHO CCCN1CCC([NH2+]Cc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000352749092 404593199 /nfs/dbraw/zinc/59/31/99/404593199.db2.gz LNXGLIYQWPWEMU-UHFFFAOYSA-N 1 3 303.406 2.096 20 0 DEADHO OCC[C@@H](NC1CCN(c2cc[nH+]cc2)CC1)c1ccco1 ZINC000297294724 404540437 /nfs/dbraw/zinc/54/04/37/404540437.db2.gz ASFDUDCIYAYWBF-MRXNPFEDSA-N 1 3 301.390 2.357 20 0 DEADHO CC(C)N1CCN(C2CC[NH+](C[C@H]3CCC(C)(C)O3)CC2)CC1 ZINC000373452116 404544392 /nfs/dbraw/zinc/54/43/92/404544392.db2.gz IZBINPPDKYUFSS-GOSISDBHSA-N 1 3 323.525 2.434 20 0 DEADHO [NH3+][C@@H]1CC[C@H]2CN(CCC(=O)Nc3ccc(Cl)cc3)C[C@@H]12 ZINC000351480441 404595406 /nfs/dbraw/zinc/59/54/06/404595406.db2.gz UXBMEGCBRWFTFM-NILFDRSVSA-N 1 3 307.825 2.338 20 0 DEADHO C[C@H]1C[C@H](C)CN(C(C)(C)C[NH2+]Cc2cnc(N(C)C)n2C)C1 ZINC000414325727 404577748 /nfs/dbraw/zinc/57/77/48/404577748.db2.gz XMSCVASHZGGULH-GJZGRUSLSA-N 1 3 321.513 2.332 20 0 DEADHO c1nc2cnccn2c1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000373828679 404605780 /nfs/dbraw/zinc/60/57/80/404605780.db2.gz KJXAPVMGXCVSFL-KRWDZBQOSA-N 1 3 321.428 2.341 20 0 DEADHO O=C(c1cccc(CN2CCCC2)c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000365358438 404631071 /nfs/dbraw/zinc/63/10/71/404631071.db2.gz OKOXLQBVZZJIQX-SJLPKXTDSA-N 1 3 313.445 2.106 20 0 DEADHO Cc1ccc([C@H](C)[N@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414673191 404705194 /nfs/dbraw/zinc/70/51/94/404705194.db2.gz IRQGVPQSGMJGMO-HOTGVXAUSA-N 1 3 303.450 2.185 20 0 DEADHO Cc1ccc([C@H](C)[N@@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414673191 404705196 /nfs/dbraw/zinc/70/51/96/404705196.db2.gz IRQGVPQSGMJGMO-HOTGVXAUSA-N 1 3 303.450 2.185 20 0 DEADHO Clc1oc2ccccc2c1CNCCCN1CC[NH2+]CC1 ZINC000414781892 404733890 /nfs/dbraw/zinc/73/38/90/404733890.db2.gz NUPAZHZIZOEDQF-UHFFFAOYSA-N 1 3 307.825 2.471 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000365876487 404737651 /nfs/dbraw/zinc/73/76/51/404737651.db2.gz IXYLNNVSOBVKPG-AEFFLSMTSA-N 1 3 315.461 2.305 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000365876487 404737655 /nfs/dbraw/zinc/73/76/55/404737655.db2.gz IXYLNNVSOBVKPG-AEFFLSMTSA-N 1 3 315.461 2.305 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CCCCN1CC ZINC000357816695 404744501 /nfs/dbraw/zinc/74/45/01/404744501.db2.gz ZLCHGKNLRSAORM-HZPDHXFCSA-N 1 3 312.502 2.280 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CCCCN1CC ZINC000357816695 404744505 /nfs/dbraw/zinc/74/45/05/404744505.db2.gz ZLCHGKNLRSAORM-HZPDHXFCSA-N 1 3 312.502 2.280 20 0 DEADHO C[C@H]1CN(C)CC[C@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000357867558 404746877 /nfs/dbraw/zinc/74/68/77/404746877.db2.gz KDXGPXWHMUJFFR-MAUKXSAKSA-N 1 3 302.466 2.228 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000414850097 404748937 /nfs/dbraw/zinc/74/89/37/404748937.db2.gz HPGLWYAWBQRONU-SOUVJXGZSA-N 1 3 319.449 2.390 20 0 DEADHO COc1cccc(NC(=O)C[C@@H](C)NC[C@@]2(C)CCC[NH2+]C2)c1 ZINC000414918560 404765711 /nfs/dbraw/zinc/76/57/11/404765711.db2.gz UVOBXLGGROBFIE-KDOFPFPSSA-N 1 3 319.449 2.392 20 0 DEADHO COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@]2(C)CCCNC2)c1 ZINC000414918560 404765715 /nfs/dbraw/zinc/76/57/15/404765715.db2.gz UVOBXLGGROBFIE-KDOFPFPSSA-N 1 3 319.449 2.392 20 0 DEADHO CCc1nc(CN2CCN(C[C@@H]3CC[NH2+][C@H](C)C3)CC2)cs1 ZINC000414684108 404708222 /nfs/dbraw/zinc/70/82/22/404708222.db2.gz CPERHJGOOCLRJP-HUUCEWRRSA-N 1 3 322.522 2.211 20 0 DEADHO CC(C)CC[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414697023 404710302 /nfs/dbraw/zinc/71/03/02/404710302.db2.gz CCWOMSUOWGFWPX-IAGOWNOFSA-N 1 3 309.498 2.474 20 0 DEADHO CC(C)CC[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414697023 404710305 /nfs/dbraw/zinc/71/03/05/404710305.db2.gz CCWOMSUOWGFWPX-IAGOWNOFSA-N 1 3 309.498 2.474 20 0 DEADHO C[C@H](c1cccnc1)N1CCN(C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414696416 404710412 /nfs/dbraw/zinc/71/04/12/404710412.db2.gz PHEBWRHLAUHMBX-ZACQAIPSSA-N 1 3 302.466 2.148 20 0 DEADHO C[C@@H]1C[C@H](CN2CCN(c3cc(F)ccc3F)CC2)CC[NH2+]1 ZINC000414702930 404712095 /nfs/dbraw/zinc/71/20/95/404712095.db2.gz VNNYESJXJXPUQX-ZIAGYGMSSA-N 1 3 309.404 2.475 20 0 DEADHO COC(=O)c1ccc2c(c1)CN(C[C@@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000414705654 404712901 /nfs/dbraw/zinc/71/29/01/404712901.db2.gz FVGFULXBUNMBCV-ZIAGYGMSSA-N 1 3 302.418 2.219 20 0 DEADHO Cc1ccccc1CC(C)(C)[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414710834 404714315 /nfs/dbraw/zinc/71/43/15/404714315.db2.gz QOEVZSGQANULIX-INIZCTEOSA-N 1 3 317.477 2.103 20 0 DEADHO C[C@H]1C[C@H](CN2CCN(C(=O)NC3CCCCC3)CC2)CC[NH2+]1 ZINC000414738508 404720168 /nfs/dbraw/zinc/72/01/68/404720168.db2.gz PCQNTIDMKYGCPK-JKSUJKDBSA-N 1 3 322.497 2.034 20 0 DEADHO Cc1nc(COc2ccc(CNCCC[NH+]3CCC3)cc2)no1 ZINC000568236819 292324651 /nfs/dbraw/zinc/32/46/51/292324651.db2.gz VQSWPBATCYKPTF-UHFFFAOYSA-N 1 3 316.405 2.142 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N(C)CCN(C)C1CC1)C(C)C ZINC000353232205 404777271 /nfs/dbraw/zinc/77/72/71/404777271.db2.gz KZGPZENTSXNLKN-UHFFFAOYSA-N 1 3 312.502 2.231 20 0 DEADHO Cc1ccc2[nH]c3c(c2c1)C[C@H](NC[C@H]1C[NH2+]CCCO1)CC3 ZINC000415033326 404791952 /nfs/dbraw/zinc/79/19/52/404791952.db2.gz GXVGMEPMSRCKQV-HUUCEWRRSA-N 1 3 313.445 2.302 20 0 DEADHO COc1ccc(-n2ccc(CNC[C@@H]3CC[NH2+][C@H](C)C3)n2)cc1 ZINC000415097727 404807377 /nfs/dbraw/zinc/80/73/77/404807377.db2.gz DFAVGOVECCIUCP-HUUCEWRRSA-N 1 3 314.433 2.359 20 0 DEADHO C[C@H](NC[C@@H]1C[C@H](F)CN1Cc1cccs1)[C@H]1CC[NH2+]C1 ZINC000415108654 404810022 /nfs/dbraw/zinc/81/00/22/404810022.db2.gz QJWFZFJZFLXXHZ-AJNGGQMLSA-N 1 3 311.470 2.248 20 0 DEADHO C[C@]1(CNCCc2nc(-c3ccccn3)cs2)CC[NH2+]C1 ZINC000415116790 404811598 /nfs/dbraw/zinc/81/15/98/404811598.db2.gz VEPRHRMCKUADIH-MRXNPFEDSA-N 1 3 302.447 2.337 20 0 DEADHO COc1ccc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000415130621 404814975 /nfs/dbraw/zinc/81/49/75/404814975.db2.gz XLBKOAHIUBMIAJ-SJLPKXTDSA-N 1 3 304.434 2.414 20 0 DEADHO CC[NH+](CC)Cc1ccc(CNC(=O)C(N)C(F)(F)F)cc1 ZINC000353467247 404838193 /nfs/dbraw/zinc/83/81/93/404838193.db2.gz LARBPJYBMPPKPB-ZDUSSCGKSA-N 1 3 317.355 2.034 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000353468538 404839234 /nfs/dbraw/zinc/83/92/34/404839234.db2.gz OPRVSXHCQGWSTH-DKIMLUQUSA-N 1 3 315.461 2.326 20 0 DEADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000358761534 404774008 /nfs/dbraw/zinc/77/40/08/404774008.db2.gz WVUVIIRCPIYBGQ-HOTGVXAUSA-N 1 3 324.513 2.090 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)N[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414951274 404774460 /nfs/dbraw/zinc/77/44/60/404774460.db2.gz PMPKJTQKKIVMTA-YDHLFZDLSA-N 1 3 305.422 2.142 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCN[C@@H](C)C2)cc1 ZINC000414951274 404774464 /nfs/dbraw/zinc/77/44/64/404774464.db2.gz PMPKJTQKKIVMTA-YDHLFZDLSA-N 1 3 305.422 2.142 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)Nc2ccccc2CCN(C)C)CC[NH2+]1 ZINC000415586030 404889270 /nfs/dbraw/zinc/88/92/70/404889270.db2.gz XXYYIQMTQLGQTR-UKRRQHHQSA-N 1 3 304.438 2.053 20 0 DEADHO CC(C)N1CCN(c2cccc(NC(=O)[C@H](C)[C@@H](C)[NH3+])c2)CC1 ZINC000423855456 404892252 /nfs/dbraw/zinc/89/22/52/404892252.db2.gz WUTUYZGCTHIRAA-HUUCEWRRSA-N 1 3 318.465 2.139 20 0 DEADHO N[C@H]1CCC[C@@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000568252794 292326903 /nfs/dbraw/zinc/32/69/03/292326903.db2.gz XBFUJYDCXISJDF-STQMWFEESA-N 1 3 306.797 2.402 20 0 DEADHO CC[NH2+][C@H](C)CNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000366880488 404862708 /nfs/dbraw/zinc/86/27/08/404862708.db2.gz QARQCOPGJOHLPD-OAHLLOKOSA-N 1 3 303.450 2.013 20 0 DEADHO Cn1ccnc1[C@@H](O)C1CC[NH+](CC[C@@H]2CCCCN2C)CC1 ZINC000366878565 404862852 /nfs/dbraw/zinc/86/28/52/404862852.db2.gz MMUWKASAJLYIDC-IRXDYDNUSA-N 1 3 320.481 2.040 20 0 DEADHO C[NH2+]Cc1ccccc1NC(=O)NCCN1CCC(C)CC1 ZINC000415897639 404965727 /nfs/dbraw/zinc/96/57/27/404965727.db2.gz GIXIJDJIDIGOBQ-UHFFFAOYSA-N 1 3 304.438 2.259 20 0 DEADHO CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000415921842 404972549 /nfs/dbraw/zinc/97/25/49/404972549.db2.gz RKKQMZWPOIQVJH-PBHICJAKSA-N 1 3 316.449 2.354 20 0 DEADHO C[NH2+]Cc1cccc(NC(=O)N2CCCN(C(C)C)CC2)c1 ZINC000415923971 404972607 /nfs/dbraw/zinc/97/26/07/404972607.db2.gz XIYHBXXCNINFNQ-UHFFFAOYSA-N 1 3 304.438 2.354 20 0 DEADHO C[C@@H]1CC[C@H]([NH2+]CC(=O)NCCN2CCCCCC2)[C@H](C)C1 ZINC000353668840 404911146 /nfs/dbraw/zinc/91/11/46/404911146.db2.gz BAPJUYJDFKRXMQ-ZACQAIPSSA-N 1 3 309.498 2.393 20 0 DEADHO CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CCCN(C)[C@@H]2C)c1 ZINC000415911959 404969898 /nfs/dbraw/zinc/96/98/98/404969898.db2.gz FLJONFIQFFSMAZ-CJNGLKHVSA-N 1 3 304.438 2.400 20 0 DEADHO C[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)[C@H](C[NH3+])C1 ZINC000416806507 404918416 /nfs/dbraw/zinc/91/84/16/404918416.db2.gz MIKAQMPZRZHGPT-PVAVHDDUSA-N 1 3 318.465 2.058 20 0 DEADHO C[C@@H]1C[C@@H](CCNC(=O)C2(N)CCC2)C[N@@H+]1Cc1ccccc1 ZINC000423902019 404921530 /nfs/dbraw/zinc/92/15/30/404921530.db2.gz LLUOMGUXPOKXGF-NVXWUHKLSA-N 1 3 315.461 2.285 20 0 DEADHO C[C@@H]1C[C@@H](CCNC(=O)C2(N)CCC2)C[N@H+]1Cc1ccccc1 ZINC000423902019 404921536 /nfs/dbraw/zinc/92/15/36/404921536.db2.gz LLUOMGUXPOKXGF-NVXWUHKLSA-N 1 3 315.461 2.285 20 0 DEADHO CC(C)(CNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)N1CCCCC1 ZINC000416837536 404929431 /nfs/dbraw/zinc/92/94/31/404929431.db2.gz XHKPOXOUPSCRII-HUUCEWRRSA-N 1 3 310.486 2.068 20 0 DEADHO CC(C)(CNC(=O)N1CCC[C@H](CC[NH3+])C1)N1CCCCC1 ZINC000416836912 404929740 /nfs/dbraw/zinc/92/97/40/404929740.db2.gz WLSMOPWTKCCJMI-OAHLLOKOSA-N 1 3 310.486 2.021 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCN[C@@H](C)[C@H]2C)C1 ZINC000417051473 405020959 /nfs/dbraw/zinc/02/09/59/405020959.db2.gz ZXYLIMLHTBMNGE-VVLHAWIVSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCN[C@@H](C)[C@H]2C)C1 ZINC000417051473 405020965 /nfs/dbraw/zinc/02/09/65/405020965.db2.gz ZXYLIMLHTBMNGE-VVLHAWIVSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@H]1C[C@H](NC(=O)CCCC[NH3+])CCN1Cc1ccccc1 ZINC000379660478 405027284 /nfs/dbraw/zinc/02/72/84/405027284.db2.gz CFBMIGUUJWWSCO-DOTOQJQBSA-N 1 3 303.450 2.285 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000417087921 405031709 /nfs/dbraw/zinc/03/17/09/405031709.db2.gz IQSZXOFZDWAGSW-WBVHZDCISA-N 1 3 318.465 2.078 20 0 DEADHO COCC1(C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)CCC1 ZINC000361348407 405033129 /nfs/dbraw/zinc/03/31/29/405033129.db2.gz KMLCAFMMOUIQDZ-UHFFFAOYSA-N 1 3 323.525 2.294 20 0 DEADHO CC[NH2+]Cc1ccccc1NC(=O)N1CCN(C)CC[C@H]1C ZINC000415930096 404974465 /nfs/dbraw/zinc/97/44/65/404974465.db2.gz JERUNBPOIQOBGD-CQSZACIVSA-N 1 3 304.438 2.354 20 0 DEADHO COC(=O)COc1c(C)cc(CN2C[C@H](C[NH3+])C[C@H]2C)cc1C ZINC000435372563 404975935 /nfs/dbraw/zinc/97/59/35/404975935.db2.gz RXMMWRCCPDGRFA-ZBFHGGJFSA-N 1 3 320.433 2.024 20 0 DEADHO COC(=O)COc1c(C)cc(CN2CC[C@H]([C@@H](C)[NH3+])C2)cc1C ZINC000435374127 404976043 /nfs/dbraw/zinc/97/60/43/404976043.db2.gz HIGGRXWFRZHLAX-ZBFHGGJFSA-N 1 3 320.433 2.024 20 0 DEADHO C[NH2+]Cc1cccc(NC(=O)NCCN2CCC(C)CC2)c1 ZINC000415934239 404976928 /nfs/dbraw/zinc/97/69/28/404976928.db2.gz RBOKYYCQRRYRLB-UHFFFAOYSA-N 1 3 304.438 2.259 20 0 DEADHO CC(C)O[C@@H]1C[C@@H](NC[C@@H](O)C[NH+]2CCC(C)CC2)C1(C)C ZINC000361236089 404986497 /nfs/dbraw/zinc/98/64/97/404986497.db2.gz CJKYIFBTWSMCDD-BRWVUGGUSA-N 1 3 312.498 2.261 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)NCC1([NH+](C)C)CC1 ZINC000416305080 405095989 /nfs/dbraw/zinc/09/59/89/405095989.db2.gz WCSMUOYVQDDSQA-UHFFFAOYSA-N 1 3 315.417 2.318 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000389911519 405040948 /nfs/dbraw/zinc/04/09/48/405040948.db2.gz JJFAQTHDQGSEDQ-XYVMCAHJSA-N 1 3 315.461 2.011 20 0 DEADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)/C=C/CN(C)C)CC1 ZINC000361375232 405044813 /nfs/dbraw/zinc/04/48/13/405044813.db2.gz CBNWPILVFPQMGP-JCVNQNCUSA-N 1 3 315.461 2.446 20 0 DEADHO C[C@@H](C(=O)NCC(C)(C)C[NH+]1CCCC1)N1[C@H](C)CC[C@H]1C ZINC000361386817 405051118 /nfs/dbraw/zinc/05/11/18/405051118.db2.gz PDGKXBNDNSTNES-OAGGEKHMSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]C[C@H]2CCN(C)C(=O)C2)CC1 ZINC000424323125 405069063 /nfs/dbraw/zinc/06/90/63/405069063.db2.gz KNFZCFBXWBKBMY-SOLBZPMBSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@H]2CCN(C)C(=O)C2)CC1 ZINC000424323125 405069065 /nfs/dbraw/zinc/06/90/65/405069065.db2.gz KNFZCFBXWBKBMY-SOLBZPMBSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)NCCN1CCC[C@H](C)C1)[NH+]1CCCCC1 ZINC000354165097 405077833 /nfs/dbraw/zinc/07/78/33/405077833.db2.gz DOSAHKHFQMMKAG-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN(C)[C@H]2CCC(C)(C)C2)CC1 ZINC000361472465 405087034 /nfs/dbraw/zinc/08/70/34/405087034.db2.gz XVEGZVDFKSKOJZ-INIZCTEOSA-N 1 3 309.498 2.486 20 0 DEADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)CC[NH3+])N2CCCC2)cc1 ZINC000417353204 405087260 /nfs/dbraw/zinc/08/72/60/405087260.db2.gz IDXGUDCIVJVRAI-WBVHZDCISA-N 1 3 318.465 2.168 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CN(CC)C[C@H]2C)[C@@H](C)C1 ZINC000361483321 405092666 /nfs/dbraw/zinc/09/26/66/405092666.db2.gz DEMXLAJUZAAOMY-XWTMOSNGSA-N 1 3 311.514 2.053 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCN1C ZINC000361510813 405108040 /nfs/dbraw/zinc/10/80/40/405108040.db2.gz LPUWBOOQYKRMSH-BZUAXINKSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCN1C ZINC000361510813 405108045 /nfs/dbraw/zinc/10/80/45/405108045.db2.gz LPUWBOOQYKRMSH-BZUAXINKSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1CCN(C)CCN1C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418681655 405164928 /nfs/dbraw/zinc/16/49/28/405164928.db2.gz VNWUHBQPVKRDJU-WBVHZDCISA-N 1 3 318.465 2.202 20 0 DEADHO CC[C@@H]([NH3+])CNC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418718633 405179357 /nfs/dbraw/zinc/17/93/57/405179357.db2.gz HVPZYAFRNQUXKE-SJORKVTESA-N 1 3 318.465 2.030 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC000437127416 405184166 /nfs/dbraw/zinc/18/41/66/405184166.db2.gz QHUQKBQNWHNXMS-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC000437127416 405184171 /nfs/dbraw/zinc/18/41/71/405184171.db2.gz QHUQKBQNWHNXMS-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC000437216217 405191140 /nfs/dbraw/zinc/19/11/40/405191140.db2.gz TVFBCZXDXJUXOG-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CN(C)CCN(C(=O)NCCC[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000418767501 405198963 /nfs/dbraw/zinc/19/89/63/405198963.db2.gz LNUZVNUIVBHCLC-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000418792884 405203380 /nfs/dbraw/zinc/20/33/80/405203380.db2.gz PHIUIOXEWQTYJT-IRXDYDNUSA-N 1 3 324.513 2.267 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000418689381 405168015 /nfs/dbraw/zinc/16/80/15/405168015.db2.gz OMCMOTPRJKSCDK-OAHLLOKOSA-N 1 3 310.486 2.021 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC1([NH+](C)C)CCCC1 ZINC000439259531 405271626 /nfs/dbraw/zinc/27/16/26/405271626.db2.gz NOCOYEORUAQYHP-CVEARBPZSA-N 1 3 322.497 2.129 20 0 DEADHO COC(=O)[C@@H](CC[N@@H+]1CC[C@@H](CN(C)C)C1)c1ccccc1 ZINC000425403867 405285909 /nfs/dbraw/zinc/28/59/09/405285909.db2.gz KIYNQPSCDKHQHP-RDJZCZTQSA-N 1 3 304.434 2.217 20 0 DEADHO COC(=O)[C@@H](CC[N@H+]1CC[C@@H](CN(C)C)C1)c1ccccc1 ZINC000425403867 405285913 /nfs/dbraw/zinc/28/59/13/405285913.db2.gz KIYNQPSCDKHQHP-RDJZCZTQSA-N 1 3 304.434 2.217 20 0 DEADHO CC[C@H](C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1)N(C)C ZINC000452734088 405235076 /nfs/dbraw/zinc/23/50/76/405235076.db2.gz UKUFGLQGECFZQA-QGZVFWFLSA-N 1 3 317.477 2.498 20 0 DEADHO CC[C@H](C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1)N(C)C ZINC000452734088 405235081 /nfs/dbraw/zinc/23/50/81/405235081.db2.gz UKUFGLQGECFZQA-QGZVFWFLSA-N 1 3 317.477 2.498 20 0 DEADHO COc1cccc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000368528001 405243016 /nfs/dbraw/zinc/24/30/16/405243016.db2.gz YAMVAWRVNQHOMO-UHFFFAOYSA-N 1 3 317.477 2.155 20 0 DEADHO C[C@H](NC(=O)[C@H]1CCCN1C1CCCC1)C(C)(C)C[NH+](C)C ZINC000438545077 405250009 /nfs/dbraw/zinc/25/00/09/405250009.db2.gz LHBIKZNYONQRHW-GOEBONIOSA-N 1 3 309.498 2.486 20 0 DEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000420303585 405312145 /nfs/dbraw/zinc/31/21/45/405312145.db2.gz KTKLIIPBDFRWJV-AABGKKOBSA-N 1 3 310.441 2.407 20 0 DEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000420303585 405312146 /nfs/dbraw/zinc/31/21/46/405312146.db2.gz KTKLIIPBDFRWJV-AABGKKOBSA-N 1 3 310.441 2.407 20 0 DEADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@@H](c2ccccc2)C1 ZINC000420303585 405312147 /nfs/dbraw/zinc/31/21/47/405312147.db2.gz KTKLIIPBDFRWJV-AABGKKOBSA-N 1 3 310.441 2.407 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N1CCC[C@H]2CN(C)C[C@H]21)C(C)C ZINC000425686595 405313640 /nfs/dbraw/zinc/31/36/40/405313640.db2.gz SENVRHBBBRLJGZ-DLBZAZTESA-N 1 3 324.513 2.231 20 0 DEADHO CN(CC[C@H]1CC[NH2+]C1)C[C@H](c1cccs1)N1CCOCC1 ZINC000420326425 405320045 /nfs/dbraw/zinc/32/00/45/405320045.db2.gz XMTJRLYHSQKHHL-HZPDHXFCSA-N 1 3 323.506 2.053 20 0 DEADHO Cc1ccc(C)c(OCCN2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420326313 405320349 /nfs/dbraw/zinc/32/03/49/405320349.db2.gz JSMXUEVCDMNOTA-QGZVFWFLSA-N 1 3 318.461 2.370 20 0 DEADHO FC(F)C(F)(F)COCCN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420332667 405322865 /nfs/dbraw/zinc/32/28/65/405322865.db2.gz GUSSTZPZEBHPPZ-GFCCVEGCSA-N 1 3 312.351 2.367 20 0 DEADHO COC(=O)c1ccc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000420332645 405322870 /nfs/dbraw/zinc/32/28/70/405322870.db2.gz SBXFKQAPQXOGOE-QWHCGFSZSA-N 1 3 308.447 2.356 20 0 DEADHO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420345422 405326916 /nfs/dbraw/zinc/32/69/16/405326916.db2.gz VISUUUBBFPCOPN-WCXIOVBPSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NCC2([NH+](C)C)CCCCC2)CN1C1CC1 ZINC000440792655 405327008 /nfs/dbraw/zinc/32/70/08/405327008.db2.gz TYGGBHLVOKVLGD-CABCVRRESA-N 1 3 322.497 2.175 20 0 DEADHO [NH3+]CCOCCN1CCC[C@H](COc2ccccc2Cl)C1 ZINC000420369409 405334493 /nfs/dbraw/zinc/33/44/93/405334493.db2.gz IXNNVTYPYVKPLU-AWEZNQCLSA-N 1 3 312.841 2.406 20 0 DEADHO O=C(CCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccccc1 ZINC000420385768 405340114 /nfs/dbraw/zinc/34/01/14/405340114.db2.gz FHQORBSEFZZMRZ-WBVHZDCISA-N 1 3 301.434 2.479 20 0 DEADHO C[C@H](C[NH+]1CCCCC1)NC(=O)NCCN1CCCC(C)(C)C1 ZINC000444849611 405342832 /nfs/dbraw/zinc/34/28/32/405342832.db2.gz NQLRGGUBXOKPGQ-MRXNPFEDSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@@H]1CCN(CCC(=O)Nc2cc(F)cc(F)c2)C[C@H]1C[NH3+] ZINC000420418639 405348063 /nfs/dbraw/zinc/34/80/63/405348063.db2.gz XCBDPCHJRUTJIZ-VXGBXAGGSA-N 1 3 311.376 2.210 20 0 DEADHO COCC(C)(C)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000426358082 405354107 /nfs/dbraw/zinc/35/41/07/405354107.db2.gz FZZGCKVJLVLLPV-UHFFFAOYSA-N 1 3 311.514 2.009 20 0 DEADHO [NH3+]CCNC(=O)[C@H]1CCCN([C@@H]2CCc3c2cccc3Cl)C1 ZINC000420284022 405306914 /nfs/dbraw/zinc/30/69/14/405306914.db2.gz CHDUNKIFJAPBOV-BLLLJJGKSA-N 1 3 321.852 2.114 20 0 DEADHO C[C@H](CCNC(=O)NC[C@H](C)N(C)C)[N@H+](C)Cc1ccccc1 ZINC000454614277 405372570 /nfs/dbraw/zinc/37/25/70/405372570.db2.gz UMEDNJQORCVLDB-CVEARBPZSA-N 1 3 320.481 2.146 20 0 DEADHO C[C@H](CCNC(=O)NC[C@H](C)N(C)C)[N@@H+](C)Cc1ccccc1 ZINC000454614277 405372571 /nfs/dbraw/zinc/37/25/71/405372571.db2.gz UMEDNJQORCVLDB-CVEARBPZSA-N 1 3 320.481 2.146 20 0 DEADHO CCN(Cc1ccc(C(=O)N[C@@H](C[NH3+])C2CC2)cc1)C1CC1 ZINC000429549853 405435903 /nfs/dbraw/zinc/43/59/03/405435903.db2.gz VGUUSRMKEGGMJP-KRWDZBQOSA-N 1 3 301.434 2.138 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1 ZINC000421076978 405444389 /nfs/dbraw/zinc/44/43/89/405444389.db2.gz BHBPKSNDUZSYSE-INIZCTEOSA-N 1 3 304.438 2.306 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N(C)C[C@@H]2CCC[N@H+]2C)c1 ZINC000421076978 405444391 /nfs/dbraw/zinc/44/43/91/405444391.db2.gz BHBPKSNDUZSYSE-INIZCTEOSA-N 1 3 304.438 2.306 20 0 DEADHO CC(C)C[C@@H]1C[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000448832673 405453743 /nfs/dbraw/zinc/45/37/43/405453743.db2.gz DSHASJVUULINOE-CRAIPNDOSA-N 1 3 321.509 2.343 20 0 DEADHO C[C@H]1CCCC[C@H]1N(C)C(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000431035911 405564381 /nfs/dbraw/zinc/56/43/81/405564381.db2.gz GQVFHBOHHPFIGW-JKSUJKDBSA-N 1 3 307.482 2.099 20 0 DEADHO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000430893570 405523194 /nfs/dbraw/zinc/52/31/94/405523194.db2.gz GIESVGMTQCOSLX-YESZJQIVSA-N 1 3 307.482 2.371 20 0 DEADHO C[C@H](NC(=O)C1(C[NH+](C)C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000635810065 405524257 /nfs/dbraw/zinc/52/42/57/405524257.db2.gz FOHJLEOXKKAIPA-HOCLYGCPSA-N 1 3 303.450 2.136 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000449367270 405527279 /nfs/dbraw/zinc/52/72/79/405527279.db2.gz UXMZDHCDCVCHDY-CTASWTNQSA-N 1 3 321.490 2.103 20 0 DEADHO NCc1cccc2c1N(C(=O)CC[C@H]1CCC[NH2+]C1)CCC2 ZINC000638543354 405539152 /nfs/dbraw/zinc/53/91/52/405539152.db2.gz XGAXQTWHPREJDT-CQSZACIVSA-N 1 3 301.434 2.204 20 0 DEADHO C[C@@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)N(C)C ZINC000449555180 405612771 /nfs/dbraw/zinc/61/27/71/405612771.db2.gz FXZSCSFDPRGEJG-WZGPROSRSA-N 1 3 301.478 2.437 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1[C@H](C)[C@H]1C1CC1 ZINC000528338124 405567453 /nfs/dbraw/zinc/56/74/53/405567453.db2.gz UOTFHFBHPTVSTO-NRSFXHEJSA-N 1 3 321.509 2.153 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1[C@H](C)[C@H]1C1CC1 ZINC000528338124 405567460 /nfs/dbraw/zinc/56/74/60/405567460.db2.gz UOTFHFBHPTVSTO-NRSFXHEJSA-N 1 3 321.509 2.153 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000431063025 405570453 /nfs/dbraw/zinc/57/04/53/405570453.db2.gz WNPUQYNLULCZEQ-SIXLDLHFSA-N 1 3 301.434 2.066 20 0 DEADHO CCCN1CC[C@H](NC(=O)N2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000633355946 405591631 /nfs/dbraw/zinc/59/16/31/405591631.db2.gz DBVKVSJWFOGPEI-INIZCTEOSA-N 1 3 322.497 2.131 20 0 DEADHO CN(C)C(=O)[C@@H]1CCC[C@H](N[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000422745149 405678103 /nfs/dbraw/zinc/67/81/03/405678103.db2.gz UPGSUFWFGUNMMQ-OQUILHJVSA-N 1 3 301.434 2.368 20 0 DEADHO CO[C@@H](C[NH2+]CC1(O)CCN(C(C)C)CC1)Cc1ccccc1 ZINC000638738370 405641086 /nfs/dbraw/zinc/64/10/86/405641086.db2.gz IZZXHHDBJQZLNV-GOSISDBHSA-N 1 3 320.477 2.069 20 0 DEADHO CC(C)CC[C@@H](O)C[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000580555009 405644029 /nfs/dbraw/zinc/64/40/29/405644029.db2.gz AZPYCUABNOZWGA-RTBURBONSA-N 1 3 320.477 2.140 20 0 DEADHO COc1cccc([C@H](CN[C@@H]2CC[NH2+]CC[C@@H]2C)N(C)C)c1 ZINC000422726122 405678757 /nfs/dbraw/zinc/67/87/57/405678757.db2.gz DCJWZQRXEGWDRG-QGTPRVQTSA-N 1 3 305.466 2.276 20 0 DEADHO Cc1cc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)ccc1-n1cncn1 ZINC000558423726 405658266 /nfs/dbraw/zinc/65/82/66/405658266.db2.gz OVCYRVNZBJCMBB-WBVHZDCISA-N 1 3 313.449 2.348 20 0 DEADHO Cc1cc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)ccc1-n1cncn1 ZINC000558423726 405658271 /nfs/dbraw/zinc/65/82/71/405658271.db2.gz OVCYRVNZBJCMBB-WBVHZDCISA-N 1 3 313.449 2.348 20 0 DEADHO CC(C)CN1CCO[C@H](CN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)C1 ZINC000422756424 405679539 /nfs/dbraw/zinc/67/95/39/405679539.db2.gz CKTSWVKHQBLUFF-OKZBNKHCSA-N 1 3 311.514 2.244 20 0 DEADHO C1CC1[C@@H](NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CNCCO1 ZINC000422817878 405685021 /nfs/dbraw/zinc/68/50/21/405685021.db2.gz FCDIFEZPLSRGKH-RBUKOAKNSA-N 1 3 321.509 2.140 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@H]1SCCc2ccccc21 ZINC000422842097 405686608 /nfs/dbraw/zinc/68/66/08/405686608.db2.gz XOSOAQXWYNHIQP-STECZYCISA-N 1 3 306.475 2.359 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000422842097 405686614 /nfs/dbraw/zinc/68/66/14/405686614.db2.gz XOSOAQXWYNHIQP-STECZYCISA-N 1 3 306.475 2.359 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(Br)cc1 ZINC000422766545 405681559 /nfs/dbraw/zinc/68/15/59/405681559.db2.gz RUAAYPMXKNIMPV-LEWSCRJBSA-N 1 3 313.239 2.291 20 0 DEADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCCOCC1CCOCC1 ZINC000422781111 405681683 /nfs/dbraw/zinc/68/16/83/405681683.db2.gz KKAOYEFNIIAKEE-QFBILLFUSA-N 1 3 320.477 2.368 20 0 DEADHO CC(C)[C@H](O)CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422791994 405682116 /nfs/dbraw/zinc/68/21/16/405682116.db2.gz YZLZTZQISJIBRP-LZLYRXPVSA-N 1 3 304.434 2.239 20 0 DEADHO CCC(O)(CC)CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422971547 405692864 /nfs/dbraw/zinc/69/28/64/405692864.db2.gz JBQNTQWXVKTHKI-YJBOKZPZSA-N 1 3 304.434 2.383 20 0 DEADHO COc1ccccc1C1(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])CCC1 ZINC000423029899 405696228 /nfs/dbraw/zinc/69/62/28/405696228.db2.gz ARRGWXPIVHLMRX-HLLBOEOZSA-N 1 3 318.461 2.459 20 0 DEADHO COc1ccccc1C1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)N)CCC1 ZINC000423029899 405696237 /nfs/dbraw/zinc/69/62/37/405696237.db2.gz ARRGWXPIVHLMRX-HLLBOEOZSA-N 1 3 318.461 2.459 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000457106638 405704369 /nfs/dbraw/zinc/70/43/69/405704369.db2.gz DIFCSAMVIHTLSS-QGZVFWFLSA-N 1 3 303.450 2.303 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000457106638 405704373 /nfs/dbraw/zinc/70/43/73/405704373.db2.gz DIFCSAMVIHTLSS-QGZVFWFLSA-N 1 3 303.450 2.303 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000449728946 405715034 /nfs/dbraw/zinc/71/50/34/405715034.db2.gz XZKASZLCSGXNRH-STQMWFEESA-N 1 3 315.417 2.352 20 0 DEADHO O=C(CC[C@H]1CCC[NH2+]1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000494655954 405737973 /nfs/dbraw/zinc/73/79/73/405737973.db2.gz MVKIBZSSESZFSN-MSOLQXFVSA-N 1 3 315.461 2.472 20 0 DEADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H](N)C2CC2)c2ccccc21 ZINC000423325613 405761673 /nfs/dbraw/zinc/76/16/73/405761673.db2.gz QIQTZGMFAZAGLY-BRWVUGGUSA-N 1 3 302.418 2.495 20 0 DEADHO N[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)C1CCC1 ZINC000423309509 405756492 /nfs/dbraw/zinc/75/64/92/405756492.db2.gz LOMUFNYMJYQLGZ-GOSISDBHSA-N 1 3 315.461 2.416 20 0 DEADHO CC(=O)NCCc1ccc([C@H](C)[NH2+][C@@H]2CCN[C@@H](C)C2)cc1 ZINC000423364117 405777579 /nfs/dbraw/zinc/77/75/79/405777579.db2.gz ATKYYCOYFCLBRY-SUNYJGFJSA-N 1 3 303.450 2.156 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2C2CCCCC2)CC[N@@H+]1C ZINC000633673429 405781992 /nfs/dbraw/zinc/78/19/92/405781992.db2.gz FDQQZNKTZVFVEE-IXDOHACOSA-N 1 3 307.482 2.240 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2C2CCCCC2)CC[N@H+]1C ZINC000633673429 405781998 /nfs/dbraw/zinc/78/19/98/405781998.db2.gz FDQQZNKTZVFVEE-IXDOHACOSA-N 1 3 307.482 2.240 20 0 DEADHO c1ccc(CN2CCC([NH2+]Cc3ccc4c(c3)CNC4)CC2)nc1 ZINC000423387513 405785367 /nfs/dbraw/zinc/78/53/67/405785367.db2.gz NAQDEZFDLLNLSC-UHFFFAOYSA-N 1 3 322.456 2.439 20 0 DEADHO FC(F)(F)[C@@H](CN[C@@H]1CCc2ccccc21)N1CC[NH2+]CC1 ZINC000423392315 405786288 /nfs/dbraw/zinc/78/62/88/405786288.db2.gz QBYKMKRMTATZSB-HUUCEWRRSA-N 1 3 313.367 2.100 20 0 DEADHO COCCN1CC[C@H](N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000423408458 405794424 /nfs/dbraw/zinc/79/44/24/405794424.db2.gz XNDBGODEOJPFQK-OALUTQOASA-N 1 3 313.445 2.150 20 0 DEADHO COCCN1CC[C@H]([NH2+][C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000423408458 405794430 /nfs/dbraw/zinc/79/44/30/405794430.db2.gz XNDBGODEOJPFQK-OALUTQOASA-N 1 3 313.445 2.150 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)CS1 ZINC000638976149 405794596 /nfs/dbraw/zinc/79/45/96/405794596.db2.gz FPARBDVWAMRAIW-XOKHGSTOSA-N 1 3 306.475 2.237 20 0 DEADHO Cc1ccc(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)c(OCCN(C)C)c1 ZINC000423411325 405796075 /nfs/dbraw/zinc/79/60/75/405796075.db2.gz FLWDALUAUBKYQM-LSDHHAIUSA-N 1 3 319.449 2.262 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H](N)CC2CCCCC2)C1 ZINC000423412090 405796677 /nfs/dbraw/zinc/79/66/77/405796677.db2.gz WCLFCDONSYIXIQ-IAGOWNOFSA-N 1 3 309.498 2.378 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H](N)CC2CCCCC2)C1 ZINC000423412090 405796681 /nfs/dbraw/zinc/79/66/81/405796681.db2.gz WCLFCDONSYIXIQ-IAGOWNOFSA-N 1 3 309.498 2.378 20 0 DEADHO Cc1ccc(NC(=O)CCNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)nc1 ZINC000583989644 405802376 /nfs/dbraw/zinc/80/23/76/405802376.db2.gz LGXQOJWYHKVBCD-MQVJKMGUSA-N 1 3 316.449 2.324 20 0 DEADHO Cc1ccc(NC(=O)CCNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)nc1 ZINC000583989644 405802381 /nfs/dbraw/zinc/80/23/81/405802381.db2.gz LGXQOJWYHKVBCD-MQVJKMGUSA-N 1 3 316.449 2.324 20 0 DEADHO COC[C@]1(CN[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CCC[NH2+]1 ZINC000423446903 405808516 /nfs/dbraw/zinc/80/85/16/405808516.db2.gz ZITUKDNAHPAUER-BHIYHBOVSA-N 1 3 317.477 2.008 20 0 DEADHO CC[NH2+]CCCNC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000584042902 405812956 /nfs/dbraw/zinc/81/29/56/405812956.db2.gz GJOYEPGSHGXROX-DOTOQJQBSA-N 1 3 320.481 2.285 20 0 DEADHO [NH3+]C[C@H]1Cc2ccccc2N(C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000639024480 405826887 /nfs/dbraw/zinc/82/68/87/405826887.db2.gz OSQCFTBQCAAXAM-RDTXWAMCSA-N 1 3 321.424 2.038 20 0 DEADHO C[NH+](C)CC1(C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)CC1 ZINC000636127864 405764224 /nfs/dbraw/zinc/76/42/24/405764224.db2.gz HGQKQCFMFPZCLC-GOSISDBHSA-N 1 3 315.461 2.109 20 0 DEADHO CC(C)(CNC(=O)[C@H]([NH3+])C1CCC1)N1CCc2ccccc2C1 ZINC000423332727 405764977 /nfs/dbraw/zinc/76/49/77/405764977.db2.gz QZEFIWOXLLKPDB-QGZVFWFLSA-N 1 3 315.461 2.067 20 0 DEADHO CCN1C[C@H](C)[C@H](N[C@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)C1 ZINC000423337706 405767734 /nfs/dbraw/zinc/76/77/34/405767734.db2.gz RJJJEIDEBOVYFS-UDTPNQRGSA-N 1 3 317.477 2.071 20 0 DEADHO CN(C)[C@H](CNC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000459374247 405879014 /nfs/dbraw/zinc/87/90/14/405879014.db2.gz JEJBMPDTENRUCO-IBGZPJMESA-N 1 3 301.478 2.376 20 0 DEADHO C[C@@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)[C@@H]2CCCC[C@H]12 ZINC000560957228 405879464 /nfs/dbraw/zinc/87/94/64/405879464.db2.gz NZEAIAVNYRFMCH-YYIAUSFCSA-N 1 3 307.482 2.084 20 0 DEADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)[C@@H]2CCCC[C@H]12 ZINC000560957228 405879469 /nfs/dbraw/zinc/87/94/69/405879469.db2.gz NZEAIAVNYRFMCH-YYIAUSFCSA-N 1 3 307.482 2.084 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000530950617 405886681 /nfs/dbraw/zinc/88/66/81/405886681.db2.gz RKUKMZMUGOKLLJ-KBAYOESNSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000530950617 405886689 /nfs/dbraw/zinc/88/66/89/405886689.db2.gz RKUKMZMUGOKLLJ-KBAYOESNSA-N 1 3 315.461 2.107 20 0 DEADHO CCN(CC)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000633795127 405841969 /nfs/dbraw/zinc/84/19/69/405841969.db2.gz CVECZVNZZZSKBQ-WMZOPIPTSA-N 1 3 317.477 2.213 20 0 DEADHO CCN(CC)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000633795127 405841974 /nfs/dbraw/zinc/84/19/74/405841974.db2.gz CVECZVNZZZSKBQ-WMZOPIPTSA-N 1 3 317.477 2.213 20 0 DEADHO C[C@H]1OCC[C@]1(O)CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000433015782 405851176 /nfs/dbraw/zinc/85/11/76/405851176.db2.gz LUMYISYAOLOLKA-LMSBXDPUSA-N 1 3 310.482 2.159 20 0 DEADHO C[C@H]1OCC[C@]1(O)C[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000433015782 405851181 /nfs/dbraw/zinc/85/11/81/405851181.db2.gz LUMYISYAOLOLKA-LMSBXDPUSA-N 1 3 310.482 2.159 20 0 DEADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000423734719 405934152 /nfs/dbraw/zinc/93/41/52/405934152.db2.gz BHIZEYNPWBQOMY-QZTJIDSGSA-N 1 3 317.477 2.485 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000423736652 405936535 /nfs/dbraw/zinc/93/65/35/405936535.db2.gz DCMVQZPCDBKSBK-DLBZAZTESA-N 1 3 303.450 2.224 20 0 DEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000423737276 405937379 /nfs/dbraw/zinc/93/73/79/405937379.db2.gz AAXXSSDKXPOZKX-QGZVFWFLSA-N 1 3 321.440 2.248 20 0 DEADHO C[C@H]([NH3+])CCC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000423747034 405942894 /nfs/dbraw/zinc/94/28/94/405942894.db2.gz OPHYZHKAVOLNOE-KRWDZBQOSA-N 1 3 317.477 2.281 20 0 DEADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H](N)C(C)(C)C ZINC000423749562 405944514 /nfs/dbraw/zinc/94/45/14/405944514.db2.gz WDQNVJRDQKOYAJ-MRXNPFEDSA-N 1 3 305.466 2.470 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000423755729 405948369 /nfs/dbraw/zinc/94/83/69/405948369.db2.gz FTFQPHJPFTVOAL-IRXDYDNUSA-N 1 3 309.498 2.474 20 0 DEADHO CC(C)N1CCC[C@H](N2CCC(C[N@H+](C)C(C)C)CC2)C1=O ZINC000531381878 405950550 /nfs/dbraw/zinc/95/05/50/405950550.db2.gz UFENLVLJXSCCFI-KRWDZBQOSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)N1CCC[C@H](N2CCC(C[N@@H+](C)C(C)C)CC2)C1=O ZINC000531381878 405950555 /nfs/dbraw/zinc/95/05/55/405950555.db2.gz UFENLVLJXSCCFI-KRWDZBQOSA-N 1 3 309.498 2.438 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000423777973 405960082 /nfs/dbraw/zinc/96/00/82/405960082.db2.gz SELAGMWTXUJBKC-OAHLLOKOSA-N 1 3 323.506 2.418 20 0 DEADHO C([NH2+]C1CCN(C2CC2)CC1)C1(N2CCCCC2)CCOCC1 ZINC000459457205 405909680 /nfs/dbraw/zinc/90/96/80/405909680.db2.gz CWCQYIKTKCJKCP-UHFFFAOYSA-N 1 3 321.509 2.238 20 0 DEADHO NCc1cn([C@@H]2CCC[N@H+](CCSc3ccccc3)C2)nn1 ZINC000561280324 405915528 /nfs/dbraw/zinc/91/55/28/405915528.db2.gz IMJUCTLVCXSAIQ-OAHLLOKOSA-N 1 3 317.462 2.166 20 0 DEADHO NCc1cn([C@@H]2CCC[N@@H+](CCSc3ccccc3)C2)nn1 ZINC000561280324 405915531 /nfs/dbraw/zinc/91/55/31/405915531.db2.gz IMJUCTLVCXSAIQ-OAHLLOKOSA-N 1 3 317.462 2.166 20 0 DEADHO CC(C)CN(CCN(C)C)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000423714795 405923786 /nfs/dbraw/zinc/92/37/86/405923786.db2.gz SVDAIMFTYPULMZ-RYTJFDOTSA-N 1 3 309.498 2.186 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)NCCC[NH2+]CC ZINC000634086250 405999013 /nfs/dbraw/zinc/99/90/13/405999013.db2.gz COKGIWSFUZHPGV-UHFFFAOYSA-N 1 3 312.502 2.284 20 0 DEADHO Cn1cc([C@H]2OCCC[C@@H]2[NH2+]C2CCN(C(C)(C)C)CC2)cn1 ZINC000433951065 406001748 /nfs/dbraw/zinc/00/17/48/406001748.db2.gz RDJFIISGDPXDDY-DLBZAZTESA-N 1 3 320.481 2.493 20 0 DEADHO C[C@@H]1CCC[C@@H]([NH2+]CC(=O)NCCN2CCCCCC2)[C@H]1C ZINC000516986461 406119082 /nfs/dbraw/zinc/11/90/82/406119082.db2.gz MILRKPHYJFSMJR-IXDOHACOSA-N 1 3 309.498 2.393 20 0 DEADHO CC[NH+](CC)CCO[C@H]1CCN(CCc2cccc(C)n2)C1 ZINC000567762183 406135529 /nfs/dbraw/zinc/13/55/29/406135529.db2.gz ZURYZDLEHOLBLJ-SFHVURJKSA-N 1 3 305.466 2.365 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CN1CCC(C)(C)C1 ZINC000518584897 406149694 /nfs/dbraw/zinc/14/96/94/406149694.db2.gz VQQYZLPTFDKGFL-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)CN1CCC(C)(C)C1 ZINC000518584897 406149701 /nfs/dbraw/zinc/14/97/01/406149701.db2.gz VQQYZLPTFDKGFL-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CC[C@@H](C)N(C)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000568192658 406209346 /nfs/dbraw/zinc/20/93/46/406209346.db2.gz QFZDXBJYQYXIGS-OAHLLOKOSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H](C(=O)NC1CCCCC1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639759738 406238043 /nfs/dbraw/zinc/23/80/43/406238043.db2.gz IBCBOQDXXXKVEF-OAHLLOKOSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H](C(=O)NCc1ccccc1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639760014 406239552 /nfs/dbraw/zinc/23/95/52/406239552.db2.gz POQANEQLYDESFR-MRXNPFEDSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@H](C(=O)NCC1CCCCC1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639760665 406239737 /nfs/dbraw/zinc/23/97/37/406239737.db2.gz ZDEDILFKWXFENE-MRXNPFEDSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)(C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[C@@H](N)c1ccccc1 ZINC000634742361 406258685 /nfs/dbraw/zinc/25/86/85/406258685.db2.gz JOQHEKURUDDEMB-ZYSHUDEJSA-N 1 3 315.461 2.171 20 0 DEADHO CN(C)[C@@H](CNC(=O)C[NH2+][C@H]1CCC1(C)C)c1ccccc1 ZINC000569017694 292384690 /nfs/dbraw/zinc/38/46/90/292384690.db2.gz UVLRMCQJSLZXBB-HOTGVXAUSA-N 1 3 303.450 2.184 20 0 DEADHO CC1(C)C[NH2+]CC[C@H](NC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000634763704 406271805 /nfs/dbraw/zinc/27/18/05/406271805.db2.gz BHKVLUOMBZWADE-HOCLYGCPSA-N 1 3 301.434 2.115 20 0 DEADHO C[C@@H]1CCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000639827726 406275583 /nfs/dbraw/zinc/27/55/83/406275583.db2.gz OHPCJAKOZFUCBT-AOIWGVFYSA-N 1 3 318.461 2.123 20 0 DEADHO C[C@@H]1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000639827726 406275587 /nfs/dbraw/zinc/27/55/87/406275587.db2.gz OHPCJAKOZFUCBT-AOIWGVFYSA-N 1 3 318.461 2.123 20 0 DEADHO COc1ccccc1N1CC[C@H](C[NH2+][C@H]2CCC[C@@H](N)C2)C1 ZINC000569624281 406280438 /nfs/dbraw/zinc/28/04/38/406280438.db2.gz WHNMMBGUYILGJF-OAGGEKHMSA-N 1 3 303.450 2.381 20 0 DEADHO C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000637370101 406283167 /nfs/dbraw/zinc/28/31/67/406283167.db2.gz LWMFIEVDZUSXSI-IAGOWNOFSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000520807762 406316737 /nfs/dbraw/zinc/31/67/37/406316737.db2.gz QTZBNVPFERPXEW-OGHNNQOOSA-N 1 3 314.433 2.265 20 0 DEADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000637473444 406320927 /nfs/dbraw/zinc/32/09/27/406320927.db2.gz QFJPOIDNHLVSIN-RDJZCZTQSA-N 1 3 322.497 2.175 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000488504134 406325579 /nfs/dbraw/zinc/32/55/79/406325579.db2.gz KZXQRYRHWUZEOC-SJLPKXTDSA-N 1 3 317.477 2.355 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000488504134 406325580 /nfs/dbraw/zinc/32/55/80/406325580.db2.gz KZXQRYRHWUZEOC-SJLPKXTDSA-N 1 3 317.477 2.355 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000632937347 406326634 /nfs/dbraw/zinc/32/66/34/406326634.db2.gz CIKGVXPDKAYPGQ-KOMQPUFPSA-N 1 3 318.465 2.430 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NCCC(C)C)CC2)CC1 ZINC000521595719 406356209 /nfs/dbraw/zinc/35/62/09/406356209.db2.gz CYHHLMUOCQICPN-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489213578 406384341 /nfs/dbraw/zinc/38/43/41/406384341.db2.gz HVZPVFKPKYNTCB-VVLHAWIVSA-N 1 3 324.513 2.421 20 0 DEADHO C[C@@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1cccc(-n2cnnn2)c1 ZINC000635009044 406398552 /nfs/dbraw/zinc/39/85/52/406398552.db2.gz GEXRWBJQUAAOQH-HIFRSBDPSA-N 1 3 314.437 2.091 20 0 DEADHO c1cc(N2CCNCC2)cc(N[C@H]2CCCC23CCOCC3)[nH+]1 ZINC000635013507 406400128 /nfs/dbraw/zinc/40/01/28/406400128.db2.gz YUMVEZPYIHYDGI-INIZCTEOSA-N 1 3 316.449 2.252 20 0 DEADHO FC(F)(F)c1ccn(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000635014070 406401393 /nfs/dbraw/zinc/40/13/93/406401393.db2.gz LWWLWJBRDOTKIF-JHJVBQTASA-N 1 3 316.371 2.412 20 0 DEADHO C[NH+](C)CC[C@H](NC(=O)[C@@H]1CNCc2ccccc21)C(C)(C)C ZINC000570573163 406410861 /nfs/dbraw/zinc/41/08/61/406410861.db2.gz HWBJRSNBFXCVFN-SJORKVTESA-N 1 3 317.477 2.356 20 0 DEADHO CN(C)C1(CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000640222577 406434686 /nfs/dbraw/zinc/43/46/86/406434686.db2.gz PXPYMPNZXOMSMI-MRXNPFEDSA-N 1 3 316.449 2.451 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC000637830774 406437911 /nfs/dbraw/zinc/43/79/11/406437911.db2.gz FJKNDZGYKXZOJV-MRXNPFEDSA-N 1 3 303.450 2.268 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000571639264 406546680 /nfs/dbraw/zinc/54/66/80/406546680.db2.gz TURRTMRTLLOBHP-MAUKXSAKSA-N 1 3 315.461 2.064 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000571639264 406546683 /nfs/dbraw/zinc/54/66/83/406546683.db2.gz TURRTMRTLLOBHP-MAUKXSAKSA-N 1 3 315.461 2.064 20 0 DEADHO CC[NH2+][C@@H](C)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000638083951 406561470 /nfs/dbraw/zinc/56/14/70/406561470.db2.gz ICHZIIYAJOKOAC-ZDUSSCGKSA-N 1 3 309.479 2.074 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC000635412048 406525857 /nfs/dbraw/zinc/52/58/57/406525857.db2.gz OHTSHMDPTUMFBG-RDJZCZTQSA-N 1 3 315.461 2.280 20 0 DEADHO c1[nH]nc2c1CC[C@H](N[C@@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000572111815 406607010 /nfs/dbraw/zinc/60/70/10/406607010.db2.gz VMTKADJBCGOAKP-POZUXBRTSA-N 1 3 324.428 2.113 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)/C=C/C[NH+](C)C)c1ccsc1 ZINC000491624263 406637289 /nfs/dbraw/zinc/63/72/89/406637289.db2.gz BHIWKJYJOHGLCX-KIUWMYQTSA-N 1 3 309.479 2.365 20 0 DEADHO CC(C)(CNC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)N1CCCCC1 ZINC000635528491 406576023 /nfs/dbraw/zinc/57/60/23/406576023.db2.gz UDMDZRGDTKPEKF-HNNXBMFYSA-N 1 3 324.513 2.328 20 0 DEADHO CCN[C@@H](C)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000638136157 406588815 /nfs/dbraw/zinc/58/88/15/406588815.db2.gz YAPVBVXCRMMWPH-GJZGRUSLSA-N 1 3 319.449 2.344 20 0 DEADHO CCN[C@@H](C)C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000638136157 406588821 /nfs/dbraw/zinc/58/88/21/406588821.db2.gz YAPVBVXCRMMWPH-GJZGRUSLSA-N 1 3 319.449 2.344 20 0 DEADHO CC1(C)CN[C@@H]1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000645928106 406704555 /nfs/dbraw/zinc/70/45/55/406704555.db2.gz WWNQRHSLFOJQNP-JKSUJKDBSA-N 1 3 307.482 2.099 20 0 DEADHO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)[C@@H]1CCCCCN1 ZINC000572499532 406682603 /nfs/dbraw/zinc/68/26/03/406682603.db2.gz HLKDAVCHFLAMTN-LBPRGKRZSA-N 1 3 308.451 2.081 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000645896423 406689446 /nfs/dbraw/zinc/68/94/46/406689446.db2.gz UTLIOTAIZYOTRG-MRXNPFEDSA-N 1 3 303.450 2.095 20 0 DEADHO CN1CC[NH+](CCCNCc2c(F)ccc(F)c2Cl)CC1 ZINC000527630917 406696706 /nfs/dbraw/zinc/69/67/06/406696706.db2.gz CHXYKMXFEYCXDO-UHFFFAOYSA-N 1 3 317.811 2.345 20 0 DEADHO CC(C)CC[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000638412822 406757222 /nfs/dbraw/zinc/75/72/22/406757222.db2.gz MLWOZLLUYSDYFT-IXDOHACOSA-N 1 3 321.440 2.151 20 0 DEADHO C[NH+]1CCC(O)(CNCc2ccsc2C(F)(F)F)CC1 ZINC000527665947 406709903 /nfs/dbraw/zinc/70/99/03/406709903.db2.gz RZGIRXJKFWZCCB-UHFFFAOYSA-N 1 3 308.369 2.313 20 0 DEADHO CCN1CCN(CCCC[NH2+]C[C@H](OC)C2CCCC2)CC1 ZINC000638359719 406722513 /nfs/dbraw/zinc/72/25/13/406722513.db2.gz MDYHITVGKJHVGA-SFHVURJKSA-N 1 3 311.514 2.199 20 0 DEADHO C[C@H](CNC1CC[NH+](CC(C)(C)O)CC1)N(C)c1ccccc1 ZINC000638362543 406724367 /nfs/dbraw/zinc/72/43/67/406724367.db2.gz HDMDMWRPZQBLNS-MRXNPFEDSA-N 1 3 319.493 2.336 20 0 DEADHO C[C@@H]1CCCC[C@H]1OCCNC1CC[NH+](CC(C)(C)O)CC1 ZINC000638366681 406727337 /nfs/dbraw/zinc/72/73/37/406727337.db2.gz KFSHFFVZRNXMJD-NVXWUHKLSA-N 1 3 312.498 2.407 20 0 DEADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000646212947 406818432 /nfs/dbraw/zinc/81/84/32/406818432.db2.gz XFVBVKLWZIKBSC-KGLIPLIRSA-N 1 3 324.444 2.025 20 0 DEADHO CCN(C(=O)NC[C@H](C)[NH3+])[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000641505924 406828700 /nfs/dbraw/zinc/82/87/00/406828700.db2.gz PFODUTJTZJLLEV-YQQAZPJKSA-N 1 3 318.465 2.201 20 0 DEADHO C[NH2+]CCCC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000646409882 406859612 /nfs/dbraw/zinc/85/96/12/406859612.db2.gz CCWLKFZRUKYGPW-QGZVFWFLSA-N 1 3 303.450 2.329 20 0 DEADHO CN(C)C[C@@H](NC(=O)CC1([NH3+])CCC1)c1ccc(Cl)cc1 ZINC000646452550 406866026 /nfs/dbraw/zinc/86/60/26/406866026.db2.gz DBQCPERBDCEEHR-CQSZACIVSA-N 1 3 309.841 2.330 20 0 DEADHO C[C@H]1CCCCN1CCOc1ccccc1C(=O)NCCC[NH3+] ZINC000646584403 406883286 /nfs/dbraw/zinc/88/32/86/406883286.db2.gz KTWWXMRPKJYXEN-HNNXBMFYSA-N 1 3 319.449 2.018 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000641927422 406907269 /nfs/dbraw/zinc/90/72/69/406907269.db2.gz XISGHLLRWWWNQH-NVXWUHKLSA-N 1 3 318.465 2.030 20 0 DEADHO CC(C)[C@H]1CN(Cc2ccc(OCCN(C)C)cc2)CC[NH2+]1 ZINC000647532079 407014288 /nfs/dbraw/zinc/01/42/88/407014288.db2.gz WULIVUYSSINXNF-GOSISDBHSA-N 1 3 305.466 2.057 20 0 DEADHO CCCN1CCN(c2ccccc2CN[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000647552194 407019490 /nfs/dbraw/zinc/01/94/90/407019490.db2.gz MCZVFLRKGCSJAF-DLBZAZTESA-N 1 3 318.509 2.434 20 0 DEADHO CC[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1nnc2n1CCCCC2 ZINC000647790395 407051187 /nfs/dbraw/zinc/05/11/87/407051187.db2.gz XOFKZZBIAYMCPX-JONQDZQNSA-N 1 3 317.481 2.433 20 0 DEADHO C[NH+](C)CCOc1ccc(CN2CC[C@@H](n3cccn3)C2)cc1 ZINC000643351887 406987417 /nfs/dbraw/zinc/98/74/17/406987417.db2.gz KQGRGPOAXZEEGO-QGZVFWFLSA-N 1 3 314.433 2.271 20 0 DEADHO CO[C@H](CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])c1ccccc1Cl ZINC000643467527 407004481 /nfs/dbraw/zinc/00/44/81/407004481.db2.gz SFYXEJUTZIKLCF-KSZJFAHPSA-N 1 3 312.841 2.369 20 0 DEADHO C[NH2+]CC1CCN(Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000647494516 407007606 /nfs/dbraw/zinc/00/76/06/407007606.db2.gz UXZJWHHGPDKANY-UHFFFAOYSA-N 1 3 301.434 2.010 20 0 DEADHO CCCN(CCC)C(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976785 407092452 /nfs/dbraw/zinc/09/24/52/407092452.db2.gz UHUVMXDTANWTDZ-SJORKVTESA-N 1 3 309.498 2.347 20 0 DEADHO O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)NC(C1CC1)C1CC1 ZINC000647977199 407092733 /nfs/dbraw/zinc/09/27/33/407092733.db2.gz ZDOACUCCYIUMEF-IRXDYDNUSA-N 1 3 319.493 2.003 20 0 DEADHO CC[C@@H]1CN(CCCC2CC[NH2+]CC2)CCN1CC(F)F ZINC000647989685 407095163 /nfs/dbraw/zinc/09/51/63/407095163.db2.gz XEHRADSJZCUEIX-OAHLLOKOSA-N 1 3 303.441 2.428 20 0 DEADHO c1cc2n(n1)C[C@@H](CNC[C@@H]1CCC[N@@H+]1C1CCCCC1)CN2 ZINC000648030720 407105243 /nfs/dbraw/zinc/10/52/43/407105243.db2.gz OESQJVFYJVHBTK-RDJZCZTQSA-N 1 3 317.481 2.312 20 0 DEADHO c1cc2n(n1)C[C@@H](CNC[C@@H]1CCC[N@H+]1C1CCCCC1)CN2 ZINC000648030720 407105246 /nfs/dbraw/zinc/10/52/46/407105246.db2.gz OESQJVFYJVHBTK-RDJZCZTQSA-N 1 3 317.481 2.312 20 0 DEADHO CC[C@H]1C[C@@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)CCO1 ZINC000648503489 407190300 /nfs/dbraw/zinc/19/03/00/407190300.db2.gz PIQWXPHUNPWTBI-HOTGVXAUSA-N 1 3 307.438 2.069 20 0 DEADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000648199103 407137008 /nfs/dbraw/zinc/13/70/08/407137008.db2.gz QSUBJABUOPDIJN-CVEARBPZSA-N 1 3 303.450 2.095 20 0 DEADHO CCCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)[C@H]1CCN(C)C1 ZINC000645179581 407243105 /nfs/dbraw/zinc/24/31/05/407243105.db2.gz RBUKMBLABFIYHS-HOTGVXAUSA-N 1 3 312.502 2.088 20 0 DEADHO CCCN(C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)[C@H]1CCN(C)C1 ZINC000645361823 407268808 /nfs/dbraw/zinc/26/88/08/407268808.db2.gz ZRRXQMNCVYOPIQ-IRXDYDNUSA-N 1 3 324.513 2.090 20 0 DEADHO CCCN(C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)[C@H]1CCN(C)C1 ZINC000645361823 407268810 /nfs/dbraw/zinc/26/88/10/407268810.db2.gz ZRRXQMNCVYOPIQ-IRXDYDNUSA-N 1 3 324.513 2.090 20 0 DEADHO CCCN(C(=O)NCC[C@H](C)[NH+]1CCCCC1)[C@H]1CCN(C)C1 ZINC000645427654 407277168 /nfs/dbraw/zinc/27/71/68/407277168.db2.gz MOTQERFBRGGYJM-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CC2([NH3+])CCC2)C1 ZINC000645693294 407297175 /nfs/dbraw/zinc/29/71/75/407297175.db2.gz OXKLGECBHVCXIX-ZBFHGGJFSA-N 1 3 301.434 2.210 20 0 DEADHO CC[NH2+]CCCNC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000569911223 292450757 /nfs/dbraw/zinc/45/07/57/292450757.db2.gz LCSMMXFJOVYSHS-KRWDZBQOSA-N 1 3 320.481 2.151 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000417696019 287011808 /nfs/dbraw/zinc/01/18/08/287011808.db2.gz GKDGODFARQMEKO-BZUAXINKSA-N 1 3 310.486 2.068 20 0 DEADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000570573717 292491526 /nfs/dbraw/zinc/49/15/26/292491526.db2.gz YZMBWHYVIIYGCT-ZFWWWQNUSA-N 1 3 316.449 2.129 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000129025457 196013169 /nfs/dbraw/zinc/01/31/69/196013169.db2.gz OIRWTCPYXBCSJI-SJORKVTESA-N 1 3 324.513 2.280 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000571550573 292556422 /nfs/dbraw/zinc/55/64/22/292556422.db2.gz FVSSVKDQTYHAAQ-MDASCCDHSA-N 1 3 310.445 2.255 20 0 DEADHO C[C@H](NCCOCC[NH+](C)C)c1ccc(Br)cn1 ZINC000571613064 292559751 /nfs/dbraw/zinc/55/97/51/292559751.db2.gz IMFAFKHPDWTZMV-NSHDSACASA-N 1 3 316.243 2.073 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C[C@H]2CCNC(=O)CC2)C1 ZINC000450408598 287273462 /nfs/dbraw/zinc/27/34/62/287273462.db2.gz WAWARMPVRGMOIP-KZNAEPCWSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C[C@H]2CCNC(=O)CC2)C1 ZINC000450408598 287273463 /nfs/dbraw/zinc/27/34/63/287273463.db2.gz WAWARMPVRGMOIP-KZNAEPCWSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CCCCN1C[C@@H]1CCC[N@H+](C[C@H]2CCNC(=O)CC2)C1 ZINC000450408598 287273464 /nfs/dbraw/zinc/27/34/64/287273464.db2.gz WAWARMPVRGMOIP-KZNAEPCWSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CCCCN1C[C@@H]1CCC[N@@H+](C[C@H]2CCNC(=O)CC2)C1 ZINC000450408598 287273465 /nfs/dbraw/zinc/27/34/65/287273465.db2.gz WAWARMPVRGMOIP-KZNAEPCWSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC001369434364 1148982999 /nfs/dbraw/zinc/98/29/99/1148982999.db2.gz GVBIXVHEWGFVTO-HUUCEWRRSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000416797283 228898999 /nfs/dbraw/zinc/89/89/99/228898999.db2.gz AKOYTLWALGMTJM-USXIJHARSA-N 1 3 318.465 2.058 20 0 DEADHO C[C@H](NC(=O)C(C)(C)[C@@H](N)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000417777969 229095811 /nfs/dbraw/zinc/09/58/11/229095811.db2.gz DWTRAOSQWMSNJB-IMJJTQAJSA-N 1 3 303.450 2.217 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NCC[C@H](C)[NH3+])CC1 ZINC000417692235 229070406 /nfs/dbraw/zinc/07/04/06/229070406.db2.gz OFVIGNXPAIKLDG-LSDHHAIUSA-N 1 3 318.465 2.249 20 0 DEADHO C[C@H](NC(=O)N1CCN[C@H](C)[C@@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417996903 229178995 /nfs/dbraw/zinc/17/89/95/229178995.db2.gz QZKBLAKMOCNMAM-UGUYLWEFSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@H](NC(=O)N1CCN[C@H](C)[C@@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000417996903 229178999 /nfs/dbraw/zinc/17/89/99/229178999.db2.gz QZKBLAKMOCNMAM-UGUYLWEFSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418501563 229369219 /nfs/dbraw/zinc/36/92/19/229369219.db2.gz RGURGQNWLAYLQN-CXAGYDPISA-N 1 3 314.433 2.266 20 0 DEADHO COc1ccc(CCN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000420325508 229653980 /nfs/dbraw/zinc/65/39/80/229653980.db2.gz IOTPCSLBFWOTKG-MSOLQXFVSA-N 1 3 304.434 2.066 20 0 DEADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(CCOc2cccc(F)c2)CC1 ZINC000420388607 229692321 /nfs/dbraw/zinc/69/23/21/229692321.db2.gz XDZXXFYDNQOCOD-ZWKOTPCHSA-N 1 3 322.424 2.423 20 0 DEADHO C[C@H]1CC[NH2+]C[C@@H]1NCC(C)(C)N1CCc2ccccc2C1 ZINC000422702208 230170485 /nfs/dbraw/zinc/17/04/85/230170485.db2.gz KFLCQEFDRASZOF-YJBOKZPZSA-N 1 3 301.478 2.411 20 0 DEADHO C[C@H]1CCNC[C@@H]1[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000422702208 230170488 /nfs/dbraw/zinc/17/04/88/230170488.db2.gz KFLCQEFDRASZOF-YJBOKZPZSA-N 1 3 301.478 2.411 20 0 DEADHO COCCN(C)CC[C@H](N[C@@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000422718800 230175870 /nfs/dbraw/zinc/17/58/70/230175870.db2.gz QCATWKUAGREOAC-NZSAHSFTSA-N 1 3 319.493 2.284 20 0 DEADHO N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000422849153 230242243 /nfs/dbraw/zinc/24/22/43/230242243.db2.gz URZBBKUMXKTWON-IAGOWNOFSA-N 1 3 310.401 2.303 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000422896110 230265339 /nfs/dbraw/zinc/26/53/39/230265339.db2.gz HHNGAAXGXOEMBB-GMXVVIOVSA-N 1 3 320.355 2.161 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1cc(Br)cs1 ZINC000422902709 230270528 /nfs/dbraw/zinc/27/05/28/230270528.db2.gz VBYLFTFANJYBTF-XXILOJSOSA-N 1 3 319.268 2.353 20 0 DEADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+])Oc1cccc(Cl)c1 ZINC000422920490 230278719 /nfs/dbraw/zinc/27/87/19/230278719.db2.gz MFQGTTUBDZEUAN-GUYJKWIASA-N 1 3 312.841 2.449 20 0 DEADHO C[C@@H]1CCN[C@H](C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000423366764 287631884 /nfs/dbraw/zinc/63/18/84/287631884.db2.gz CWBXPMXHQHIARL-SQNIBIBYSA-N 1 3 321.509 2.489 20 0 DEADHO Cc1ccc(C[C@H](CO)N[C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000423060305 230333120 /nfs/dbraw/zinc/33/31/20/230333120.db2.gz ODCIZFLKUWCREB-PWIZWCRZSA-N 1 3 312.457 2.447 20 0 DEADHO OC[C@H](Cc1ccc(F)cc1)N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423078746 230343264 /nfs/dbraw/zinc/34/32/64/230343264.db2.gz PEGQRPCJBJMETL-BSDSXHPESA-N 1 3 306.425 2.239 20 0 DEADHO Cc1cccnc1C(C)(C)CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423135171 230360459 /nfs/dbraw/zinc/36/04/59/230360459.db2.gz FHSPIIYBRCEZCD-GVDBMIGSSA-N 1 3 317.477 2.414 20 0 DEADHO Cc1ccc(OC[C@H](O)CN[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000388728653 424914740 /nfs/dbraw/zinc/91/47/40/424914740.db2.gz BDWJHXAVBWUYJI-YESZJQIVSA-N 1 3 306.450 2.115 20 0 DEADHO Cc1ccc(OC[C@H](O)CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000388728653 424914743 /nfs/dbraw/zinc/91/47/43/424914743.db2.gz BDWJHXAVBWUYJI-YESZJQIVSA-N 1 3 306.450 2.115 20 0 DEADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC000648873696 424921035 /nfs/dbraw/zinc/92/10/35/424921035.db2.gz DLJLYRVTPDQQSR-JOCBIADPSA-N 1 3 317.477 2.443 20 0 DEADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC000648873696 424921037 /nfs/dbraw/zinc/92/10/37/424921037.db2.gz DLJLYRVTPDQQSR-JOCBIADPSA-N 1 3 317.477 2.443 20 0 DEADHO C[C@@H]1[C@H](C(=O)Nc2ccc(OCCN(C)C)c(F)c2)CC[N@@H+]1C ZINC000648928588 424931181 /nfs/dbraw/zinc/93/11/81/424931181.db2.gz RKSQXROECWHMIA-TZMCWYRMSA-N 1 3 323.412 2.045 20 0 DEADHO C[C@@H]1[C@H](C(=O)Nc2ccc(OCCN(C)C)c(F)c2)CC[N@H+]1C ZINC000648928588 424931184 /nfs/dbraw/zinc/93/11/84/424931184.db2.gz RKSQXROECWHMIA-TZMCWYRMSA-N 1 3 323.412 2.045 20 0 DEADHO CCCN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@@H]1CCN(C)C1 ZINC000648997499 424939877 /nfs/dbraw/zinc/93/98/77/424939877.db2.gz QYBCVXJYKULCGS-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CCN(C)C1 ZINC000649000871 424941734 /nfs/dbraw/zinc/94/17/34/424941734.db2.gz FCCOMRZOELLOFI-KRWDZBQOSA-N 1 3 303.450 2.305 20 0 DEADHO C[C@@H]1[C@H](C(=O)N(CCN(C)C)Cc2ccccc2F)CC[N@@H+]1C ZINC000648749029 424902039 /nfs/dbraw/zinc/90/20/39/424902039.db2.gz HXBCAAMJOCBYAR-GDBMZVCRSA-N 1 3 321.440 2.056 20 0 DEADHO C[C@@H]1[C@H](C(=O)N(CCN(C)C)Cc2ccccc2F)CC[N@H+]1C ZINC000648749029 424902040 /nfs/dbraw/zinc/90/20/40/424902040.db2.gz HXBCAAMJOCBYAR-GDBMZVCRSA-N 1 3 321.440 2.056 20 0 DEADHO CN1CCC[C@@H]([NH2+]C[C@H](O)CN2CCCC2)c2ccccc21 ZINC000650198540 424962338 /nfs/dbraw/zinc/96/23/38/424962338.db2.gz PPDNAPUSEOHGTA-DOTOQJQBSA-N 1 3 303.450 2.004 20 0 DEADHO CC1(C)CNCCN1C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000649273279 424982419 /nfs/dbraw/zinc/98/24/19/424982419.db2.gz ADGOQJKDCNQXSM-KRWDZBQOSA-N 1 3 315.461 2.109 20 0 DEADHO CC1(C)CNCCN1C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000649273279 424982422 /nfs/dbraw/zinc/98/24/22/424982422.db2.gz ADGOQJKDCNQXSM-KRWDZBQOSA-N 1 3 315.461 2.109 20 0 DEADHO C[NH+](C)C1(CNC(=O)[C@H]2CNCCC2(F)F)CCCCCC1 ZINC000649280432 424983317 /nfs/dbraw/zinc/98/33/17/424983317.db2.gz SUPPDEIYJAULCH-CYBMUJFWSA-N 1 3 317.424 2.002 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CNCCC1(F)F)CC(C)C ZINC000649285321 424983654 /nfs/dbraw/zinc/98/36/54/424983654.db2.gz JRHUVEOMYPUBTD-KGLIPLIRSA-N 1 3 319.440 2.104 20 0 DEADHO C[C@H]1CCN[C@@H](C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000649328720 424993136 /nfs/dbraw/zinc/99/31/36/424993136.db2.gz CNAVSPCQNXGSCQ-WMLDXEAASA-N 1 3 319.449 2.344 20 0 DEADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)CCC(C)(C)[NH3+])C1 ZINC000649342632 424997438 /nfs/dbraw/zinc/99/74/38/424997438.db2.gz FMINUYQDIWSKPS-INIZCTEOSA-N 1 3 303.450 2.237 20 0 DEADHO C[C@H](CNC(=O)N(C)CCN1CCCCC1)[N@@H+]1CCCC[C@@H]1C ZINC000650642367 425029107 /nfs/dbraw/zinc/02/91/07/425029107.db2.gz ALFOZIXKJDDWBH-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H](CNC(=O)N(C)CCN1CCCCC1)[N@H+]1CCCC[C@@H]1C ZINC000650642367 425029109 /nfs/dbraw/zinc/02/91/09/425029109.db2.gz ALFOZIXKJDDWBH-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO COc1ccc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1O ZINC000650705806 425038496 /nfs/dbraw/zinc/03/84/96/425038496.db2.gz WLRVXAOCFCKWOF-DAYGRLMNSA-N 1 3 320.433 2.119 20 0 DEADHO NC[C@@H]1C[N@H+](Cc2cccc3c2CCC3)CC12CCOCC2 ZINC000650703905 425038600 /nfs/dbraw/zinc/03/86/00/425038600.db2.gz XHTBXIPEPOMMLE-QGZVFWFLSA-N 1 3 300.446 2.363 20 0 DEADHO NC[C@@H]1C[N@@H+](Cc2cccc3c2CCC3)CC12CCOCC2 ZINC000650703905 425038602 /nfs/dbraw/zinc/03/86/02/425038602.db2.gz XHTBXIPEPOMMLE-QGZVFWFLSA-N 1 3 300.446 2.363 20 0 DEADHO C[C@@H](CNC(=O)N(C)CCN1CCCCC1)C[NH+]1CCCCC1 ZINC000650710199 425040267 /nfs/dbraw/zinc/04/02/67/425040267.db2.gz HMZOGVCGWFZHNT-KRWDZBQOSA-N 1 3 324.513 2.236 20 0 DEADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(C)CCN1CCCCC1 ZINC000650731454 425044294 /nfs/dbraw/zinc/04/42/94/425044294.db2.gz YFOIMIZSAGNHEO-DLBZAZTESA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(C)CCN1CCCCC1 ZINC000650731454 425044304 /nfs/dbraw/zinc/04/43/04/425044304.db2.gz YFOIMIZSAGNHEO-DLBZAZTESA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H](NCCC1(C[NH3+])CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000650744808 425046018 /nfs/dbraw/zinc/04/60/18/425046018.db2.gz WCZPBOJOAPUYAV-NSHDSACASA-N 1 3 314.426 2.009 20 0 DEADHO FC1(F)Oc2ccc(CCNC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2O1 ZINC000650761076 425049763 /nfs/dbraw/zinc/04/97/63/425049763.db2.gz RPGMYHVQONDZHH-FUNVUKJBSA-N 1 3 310.344 2.423 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000651196850 425114485 /nfs/dbraw/zinc/11/44/85/425114485.db2.gz OXMLWXLMTGWPDS-SFHVURJKSA-N 1 3 324.513 2.092 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000651196850 425114488 /nfs/dbraw/zinc/11/44/88/425114488.db2.gz OXMLWXLMTGWPDS-SFHVURJKSA-N 1 3 324.513 2.092 20 0 DEADHO C[C@H](C1CCN(C)CC1)[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000651393551 425133399 /nfs/dbraw/zinc/13/33/99/425133399.db2.gz AJGNZCPMGHWZHO-HUUCEWRRSA-N 1 3 309.498 2.330 20 0 DEADHO C[C@H](C1CCN(C)CC1)[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000651393551 425133400 /nfs/dbraw/zinc/13/34/00/425133400.db2.gz AJGNZCPMGHWZHO-HUUCEWRRSA-N 1 3 309.498 2.330 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000663482214 425169415 /nfs/dbraw/zinc/16/94/15/425169415.db2.gz QGUVIJXQHQXUDQ-HZPDHXFCSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000663482214 425169416 /nfs/dbraw/zinc/16/94/16/425169416.db2.gz QGUVIJXQHQXUDQ-HZPDHXFCSA-N 1 3 324.513 2.423 20 0 DEADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000660588709 425170420 /nfs/dbraw/zinc/17/04/20/425170420.db2.gz ZRPRIAJRUBQZML-HZPDHXFCSA-N 1 3 312.502 2.136 20 0 DEADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000660588709 425170422 /nfs/dbraw/zinc/17/04/22/425170422.db2.gz ZRPRIAJRUBQZML-HZPDHXFCSA-N 1 3 312.502 2.136 20 0 DEADHO COc1cccc(OCC[N@@H+]2CCC[C@@]3(CCN(C)C3)C2)c1 ZINC000660656859 425192814 /nfs/dbraw/zinc/19/28/14/425192814.db2.gz AFABDFIYHUEZHF-SFHVURJKSA-N 1 3 304.434 2.492 20 0 DEADHO COc1cccc(OCC[N@H+]2CCC[C@@]3(CCN(C)C3)C2)c1 ZINC000660656859 425192818 /nfs/dbraw/zinc/19/28/18/425192818.db2.gz AFABDFIYHUEZHF-SFHVURJKSA-N 1 3 304.434 2.492 20 0 DEADHO [NH3+][C@H]1CCC[C@@H](NCc2ccc(Cl)cc2-n2cncn2)C1 ZINC000666853882 425197151 /nfs/dbraw/zinc/19/71/51/425197151.db2.gz DGZNJYLKDYJYCE-UONOGXRCSA-N 1 3 305.813 2.280 20 0 DEADHO CCN1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000666663514 425155367 /nfs/dbraw/zinc/15/53/67/425155367.db2.gz OUINMLNYTUPSNT-MRXNPFEDSA-N 1 3 322.497 2.131 20 0 DEADHO CCN1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000666663514 425155370 /nfs/dbraw/zinc/15/53/70/425155370.db2.gz OUINMLNYTUPSNT-MRXNPFEDSA-N 1 3 322.497 2.131 20 0 DEADHO COC1([C@H](C)[NH2+]C[C@@H]2CCCN(CC3CC3)C2)CCOCC1 ZINC000663465299 425164146 /nfs/dbraw/zinc/16/41/46/425164146.db2.gz JGWAFZYIIYAVML-RDJZCZTQSA-N 1 3 310.482 2.282 20 0 DEADHO COC1([C@H](C)NC[C@@H]2CCC[N@H+](CC3CC3)C2)CCOCC1 ZINC000663465299 425164150 /nfs/dbraw/zinc/16/41/50/425164150.db2.gz JGWAFZYIIYAVML-RDJZCZTQSA-N 1 3 310.482 2.282 20 0 DEADHO COC1([C@H](C)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CCOCC1 ZINC000663465299 425164155 /nfs/dbraw/zinc/16/41/55/425164155.db2.gz JGWAFZYIIYAVML-RDJZCZTQSA-N 1 3 310.482 2.282 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](OC3CCC3)C2)CC1 ZINC000653812073 425234395 /nfs/dbraw/zinc/23/43/95/425234395.db2.gz AXXAJBWPBFCQCP-IBGZPJMESA-N 1 3 323.525 2.436 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](OC3CCC3)C2)CC1 ZINC000653812073 425234399 /nfs/dbraw/zinc/23/43/99/425234399.db2.gz AXXAJBWPBFCQCP-IBGZPJMESA-N 1 3 323.525 2.436 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000660840574 425252657 /nfs/dbraw/zinc/25/26/57/425252657.db2.gz ZKXZCYJZCVPVTM-DLBZAZTESA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000660840574 425252658 /nfs/dbraw/zinc/25/26/58/425252658.db2.gz ZKXZCYJZCVPVTM-DLBZAZTESA-N 1 3 324.513 2.136 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N(CC)[C@H]2CCN(CC)C2)CC1 ZINC000663892090 425259654 /nfs/dbraw/zinc/25/96/54/425259654.db2.gz ISAGIUHQUCRAJD-KRWDZBQOSA-N 1 3 324.513 2.377 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCN2C(C)(C)C)C1 ZINC000660890657 425270218 /nfs/dbraw/zinc/27/02/18/425270218.db2.gz RSJYXKSIBSSXGK-JKSUJKDBSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCN2C(C)(C)C)C1 ZINC000660890657 425270221 /nfs/dbraw/zinc/27/02/21/425270221.db2.gz RSJYXKSIBSSXGK-JKSUJKDBSA-N 1 3 324.513 2.136 20 0 DEADHO CN(CCN1CCCCC1)C(=O)NCC1([NH3+])CCCCCC1 ZINC000652200624 425212240 /nfs/dbraw/zinc/21/22/40/425212240.db2.gz DBVRHDAIFDWOJT-UHFFFAOYSA-N 1 3 310.486 2.165 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000663703879 425217810 /nfs/dbraw/zinc/21/78/10/425217810.db2.gz JXYOPPROEDRAAQ-OWCLPIDISA-N 1 3 312.502 2.136 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000663703879 425217813 /nfs/dbraw/zinc/21/78/13/425217813.db2.gz JXYOPPROEDRAAQ-OWCLPIDISA-N 1 3 312.502 2.136 20 0 DEADHO COC[C@@H](C)Oc1ccc(C[NH2+]CC2=CCN(C)CC2)cc1 ZINC000657428093 425331105 /nfs/dbraw/zinc/33/11/05/425331105.db2.gz XZKFVSZLWCQAHW-OAHLLOKOSA-N 1 3 304.434 2.452 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000654380285 425337933 /nfs/dbraw/zinc/33/79/33/425337933.db2.gz CDBGLETWGXFWCC-HZPDHXFCSA-N 1 3 322.497 2.129 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000654380285 425337936 /nfs/dbraw/zinc/33/79/36/425337936.db2.gz CDBGLETWGXFWCC-HZPDHXFCSA-N 1 3 322.497 2.129 20 0 DEADHO CCN(C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)[C@@H]1CCN(CC)C1 ZINC000664003890 425285720 /nfs/dbraw/zinc/28/57/20/425285720.db2.gz UUCSTIIRSJDZEW-IAGOWNOFSA-N 1 3 324.513 2.233 20 0 DEADHO CCN(C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)[C@@H]1CCN(CC)C1 ZINC000664003890 425285723 /nfs/dbraw/zinc/28/57/23/425285723.db2.gz UUCSTIIRSJDZEW-IAGOWNOFSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)[C@H](C[NH2+]Cc1ccnn1-c1ccncc1)N1CCCC1 ZINC000657303990 425297195 /nfs/dbraw/zinc/29/71/95/425297195.db2.gz ULEXPJRZSZCCRF-SFHVURJKSA-N 1 3 313.449 2.477 20 0 DEADHO NC(=O)c1csc(CNCC2CC[NH+](CC3CC3)CC2)c1 ZINC000657812806 425405208 /nfs/dbraw/zinc/40/52/08/425405208.db2.gz FJVGQIBHGLAOTM-UHFFFAOYSA-N 1 3 307.463 2.059 20 0 DEADHO O=C([C@@H]1CCC[NH2+]CC1)N1CCN(CC2CCCCC2)CC1 ZINC000653108063 425406191 /nfs/dbraw/zinc/40/61/91/425406191.db2.gz HLSLBAHVSMDKML-QGZVFWFLSA-N 1 3 307.482 2.101 20 0 DEADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC000654657622 425407774 /nfs/dbraw/zinc/40/77/74/425407774.db2.gz AJLZZNMWUJNIAF-IYBDPMFKSA-N 1 3 324.513 2.090 20 0 DEADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000653120358 425410152 /nfs/dbraw/zinc/41/01/52/425410152.db2.gz PAYWEGZKCGWBLE-QZTJIDSGSA-N 1 3 315.461 2.157 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000661317158 425379162 /nfs/dbraw/zinc/37/91/62/425379162.db2.gz ZDFHZXYHCBJKOG-IAGOWNOFSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000661317158 425379165 /nfs/dbraw/zinc/37/91/65/425379165.db2.gz ZDFHZXYHCBJKOG-IAGOWNOFSA-N 1 3 324.513 2.138 20 0 DEADHO CN(C(=O)[C@@H]1CCC[NH2+]CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000653148209 425417590 /nfs/dbraw/zinc/41/75/90/425417590.db2.gz RVPHVPNIMVGZMY-QZTJIDSGSA-N 1 3 315.461 2.109 20 0 DEADHO CN(C)CCOc1cc(C[NH2+][C@@H]2CCCSCC2)ccn1 ZINC000657934912 425418228 /nfs/dbraw/zinc/41/82/28/425418228.db2.gz HQTMNQTXSKMLJC-OAHLLOKOSA-N 1 3 309.479 2.397 20 0 DEADHO COC1([C@@H](C)[NH2+]Cc2ccccc2CN2CC[C@H](O)C2)CCC1 ZINC000657969120 425423001 /nfs/dbraw/zinc/42/30/01/425423001.db2.gz IUNWBDYTEKQHMD-QAPCUYQASA-N 1 3 318.461 2.300 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000661516216 425432274 /nfs/dbraw/zinc/43/22/74/425432274.db2.gz YZGJVGLTJFWMGP-HOTGVXAUSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661516216 425432278 /nfs/dbraw/zinc/43/22/78/425432278.db2.gz YZGJVGLTJFWMGP-HOTGVXAUSA-N 1 3 324.513 2.279 20 0 DEADHO CCCCCN(CCNC(=O)[C@H]1CC[NH2+]1)Cc1ccccc1 ZINC000653201086 425433475 /nfs/dbraw/zinc/43/34/75/425433475.db2.gz ZOXXEPVLPXTBSG-QGZVFWFLSA-N 1 3 303.450 2.157 20 0 DEADHO C[C@@H](CN(C)CCC[NH+](C)C)N[C@@H](C)c1cn2ccccc2n1 ZINC000658105607 425438987 /nfs/dbraw/zinc/43/89/87/425438987.db2.gz BENQCHISJYTDON-HOTGVXAUSA-N 1 3 317.481 2.257 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](NCCO[C@@H]2CC2(F)F)[C@@H](C)C1 ZINC000658171575 425450687 /nfs/dbraw/zinc/45/06/87/425450687.db2.gz ZLWSFSOIGQIGPQ-SOUVJXGZSA-N 1 3 320.424 2.137 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](NCCO[C@@H]2CC2(F)F)[C@@H](C)C1 ZINC000658171575 425450689 /nfs/dbraw/zinc/45/06/89/425450689.db2.gz ZLWSFSOIGQIGPQ-SOUVJXGZSA-N 1 3 320.424 2.137 20 0 DEADHO C[NH2+]Cc1ccccc1CNC(=O)c1ccc(CN(C)C)cc1 ZINC000653349667 425467950 /nfs/dbraw/zinc/46/79/50/425467950.db2.gz XBGDUSIQGPMACM-UHFFFAOYSA-N 1 3 311.429 2.398 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)C3CCC3)CC2)CC1 ZINC000654960287 425472319 /nfs/dbraw/zinc/47/23/19/425472319.db2.gz LHOWXRVGPKMKND-HNNXBMFYSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](CC(N)=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658319819 425472878 /nfs/dbraw/zinc/47/28/78/425472878.db2.gz JETQUBHTGPNWQI-NVXWUHKLSA-N 1 3 315.461 2.142 20 0 DEADHO C[C@H](CC(N)=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658319819 425472881 /nfs/dbraw/zinc/47/28/81/425472881.db2.gz JETQUBHTGPNWQI-NVXWUHKLSA-N 1 3 315.461 2.142 20 0 DEADHO CCCN1CC[C@@H](NC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000661858775 425515393 /nfs/dbraw/zinc/51/53/93/425515393.db2.gz VPGKUBVPLYMFTJ-CVEARBPZSA-N 1 3 322.497 2.177 20 0 DEADHO CCCN1CC[C@@H](NC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000661858775 425515397 /nfs/dbraw/zinc/51/53/97/425515397.db2.gz VPGKUBVPLYMFTJ-CVEARBPZSA-N 1 3 322.497 2.177 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(C)CC=CC3)CC2)CC1 ZINC000655227031 425518663 /nfs/dbraw/zinc/51/86/63/425518663.db2.gz BKQUONJRPHEUQQ-UHFFFAOYSA-N 1 3 319.493 2.408 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000661898790 425521188 /nfs/dbraw/zinc/52/11/88/425521188.db2.gz SIEXQTSUCLPCHH-YESZJQIVSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000661898790 425521190 /nfs/dbraw/zinc/52/11/90/425521190.db2.gz SIEXQTSUCLPCHH-YESZJQIVSA-N 1 3 322.497 2.033 20 0 DEADHO CO[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000665283806 425535356 /nfs/dbraw/zinc/53/53/56/425535356.db2.gz VMHUECMQCZYMHI-BSDSXHPESA-N 1 3 310.482 2.328 20 0 DEADHO C[NH2+]CCCC(=O)N1CCC(N[C@@H](C)c2csc(C)n2)CC1 ZINC000665289775 425538101 /nfs/dbraw/zinc/53/81/01/425538101.db2.gz XAOSNUCPGAMYKG-LBPRGKRZSA-N 1 3 324.494 2.093 20 0 DEADHO CN(CCC(=O)N[C@@H]1CCCN2CCCC[C@H]12)c1cc[nH+]cc1 ZINC000655352687 425542629 /nfs/dbraw/zinc/54/26/29/425542629.db2.gz OCVBSOMLLHBDGN-IAGOWNOFSA-N 1 3 316.449 2.041 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000665365640 425553586 /nfs/dbraw/zinc/55/35/86/425553586.db2.gz IJTGRTARWGMTSW-HZPDHXFCSA-N 1 3 322.497 2.129 20 0 DEADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@@H]2CCN2C(C)(C)C)CC1 ZINC000665365451 425553813 /nfs/dbraw/zinc/55/38/13/425553813.db2.gz DKGNUWHYTIMGHQ-INIZCTEOSA-N 1 3 324.513 2.375 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC000655414364 425558193 /nfs/dbraw/zinc/55/81/93/425558193.db2.gz MEVUPYJZCXQIIH-SCTDSRPQSA-N 1 3 315.461 2.316 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)cc1 ZINC000655414365 425558327 /nfs/dbraw/zinc/55/83/27/425558327.db2.gz MEVUPYJZCXQIIH-YQVWRLOYSA-N 1 3 315.461 2.316 20 0 DEADHO O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CCN(CC2CCCCC2)CC1 ZINC000655443383 425567618 /nfs/dbraw/zinc/56/76/18/425567618.db2.gz IBXFDAPZLCKLJE-PKOBYXMFSA-N 1 3 319.493 2.101 20 0 DEADHO O=C([C@H]1C[C@]12CCC[NH2+]C2)N1CCN(CC2CCCCC2)CC1 ZINC000655443382 425567683 /nfs/dbraw/zinc/56/76/83/425567683.db2.gz IBXFDAPZLCKLJE-MJGOQNOKSA-N 1 3 319.493 2.101 20 0 DEADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655449214 425569970 /nfs/dbraw/zinc/56/99/70/425569970.db2.gz PKHWQNGBCZGMPQ-YJBOKZPZSA-N 1 3 301.434 2.385 20 0 DEADHO Oc1ccc(N2CCN(Cc3cccc4c3CC[NH2+]C4)CC2)cc1 ZINC000662258056 425604598 /nfs/dbraw/zinc/60/45/98/425604598.db2.gz HRACJDDXFZBSJR-UHFFFAOYSA-N 1 3 323.440 2.360 20 0 DEADHO COc1ccccc1[C@H]1CC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662257050 425604708 /nfs/dbraw/zinc/60/47/08/425604708.db2.gz PGIPDILIRXMHKI-GJZGRUSLSA-N 1 3 302.418 2.006 20 0 DEADHO COc1ccccc1[C@H]1CC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662257050 425604709 /nfs/dbraw/zinc/60/47/09/425604709.db2.gz PGIPDILIRXMHKI-GJZGRUSLSA-N 1 3 302.418 2.006 20 0 DEADHO CCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc3c2CCNC3)C1 ZINC000662258211 425604748 /nfs/dbraw/zinc/60/47/48/425604748.db2.gz SPDVMSPEOZADJO-KRWDZBQOSA-N 1 3 315.461 2.071 20 0 DEADHO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc3c2CCNC3)C1 ZINC000662258211 425604750 /nfs/dbraw/zinc/60/47/50/425604750.db2.gz SPDVMSPEOZADJO-KRWDZBQOSA-N 1 3 315.461 2.071 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662261446 425605675 /nfs/dbraw/zinc/60/56/75/425605675.db2.gz YPICDFCSZNTVOX-SQNIBIBYSA-N 1 3 321.509 2.094 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662261446 425605680 /nfs/dbraw/zinc/60/56/80/425605680.db2.gz YPICDFCSZNTVOX-SQNIBIBYSA-N 1 3 321.509 2.094 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662419719 425646679 /nfs/dbraw/zinc/64/66/79/425646679.db2.gz MPRCVPGWNODNDF-WMLDXEAASA-N 1 3 301.434 2.068 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662419719 425646682 /nfs/dbraw/zinc/64/66/82/425646682.db2.gz MPRCVPGWNODNDF-WMLDXEAASA-N 1 3 301.434 2.068 20 0 DEADHO CC[C@@H]([NH2+]C)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000662425225 425647077 /nfs/dbraw/zinc/64/70/77/425647077.db2.gz CDKKNASHFKGEFF-SJORKVTESA-N 1 3 303.450 2.246 20 0 DEADHO O=C(C[C@H]1NCc2ccccc21)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000662451478 425653845 /nfs/dbraw/zinc/65/38/45/425653845.db2.gz BTQHYCRGCQIQRM-SJLPKXTDSA-N 1 3 313.445 2.308 20 0 DEADHO O=C(c1cc2c(s1)CCNC2)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000662452859 425654549 /nfs/dbraw/zinc/65/45/49/425654549.db2.gz PVOUJBAHADBBSH-CQSZACIVSA-N 1 3 319.474 2.094 20 0 DEADHO CO[C@](C)(CO)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000655786356 425655103 /nfs/dbraw/zinc/65/51/03/425655103.db2.gz PIVGWIBZOPVPMV-JQHSSLGASA-N 1 3 306.450 2.027 20 0 DEADHO CO[C@](C)(CO)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000655786356 425655107 /nfs/dbraw/zinc/65/51/07/425655107.db2.gz PIVGWIBZOPVPMV-JQHSSLGASA-N 1 3 306.450 2.027 20 0 DEADHO C[NH+](C)C[C@@H]1CCCCN1C(=O)C[C@@H]1NCc2ccccc21 ZINC000662484574 425662699 /nfs/dbraw/zinc/66/26/99/425662699.db2.gz KSXBQQWJGMGGNX-RDJZCZTQSA-N 1 3 301.434 2.164 20 0 DEADHO Cn1nnc2c1CC[C@@H](NC1CC[NH+](C3CCCCC3)CC1)C2 ZINC000655829677 425667501 /nfs/dbraw/zinc/66/75/01/425667501.db2.gz PSMZAGAFHJEVNP-OAHLLOKOSA-N 1 3 317.481 2.059 20 0 DEADHO Cn1nnc2c1CC[C@@H]([NH2+]C1CCN(C3CCCCC3)CC1)C2 ZINC000655829677 425667504 /nfs/dbraw/zinc/66/75/04/425667504.db2.gz PSMZAGAFHJEVNP-OAHLLOKOSA-N 1 3 317.481 2.059 20 0 DEADHO C[C@@H]1C[N@H+](C[C@@H]2CCC3(CNC3)O2)CCc2ccc(F)cc21 ZINC000662284956 425614074 /nfs/dbraw/zinc/61/40/74/425614074.db2.gz SCRQPPIDSMDPNZ-CJNGLKHVSA-N 1 3 304.409 2.308 20 0 DEADHO C[C@@H]1C[N@@H+](C[C@@H]2CCC3(CNC3)O2)CCc2ccc(F)cc21 ZINC000662284956 425614077 /nfs/dbraw/zinc/61/40/77/425614077.db2.gz SCRQPPIDSMDPNZ-CJNGLKHVSA-N 1 3 304.409 2.308 20 0 DEADHO CC1CCC(NC(=O)CN2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662296209 425615359 /nfs/dbraw/zinc/61/53/59/425615359.db2.gz XWTAFIXXIBIXBZ-IIIMJFFVSA-N 1 3 321.509 2.393 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)NCC1([NH3+])CCCC1)c1ccco1 ZINC000659492132 425615395 /nfs/dbraw/zinc/61/53/95/425615395.db2.gz KBKAWPKEGKPAPE-KBPBESRZSA-N 1 3 322.453 2.280 20 0 DEADHO CC[C@H]1CCCCN1C(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292930 425616280 /nfs/dbraw/zinc/61/62/80/425616280.db2.gz CDCPYVIWEOZSES-MSOLQXFVSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H](C(=O)N1CCC(C)CC1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295067 425616410 /nfs/dbraw/zinc/61/64/10/425616410.db2.gz DVBNOMRDBXYSGW-AEFFLSMTSA-N 1 3 321.509 2.345 20 0 DEADHO CC1CC[NH+](CCCNC(=O)c2cccc3c2CNC3)CC1 ZINC000662356731 425631409 /nfs/dbraw/zinc/63/14/09/425631409.db2.gz VISAJGRAHIEPNP-UHFFFAOYSA-N 1 3 301.434 2.142 20 0 DEADHO C[C@H]1CC[C@H]([NH2+]C2CCN(C3CCN(C)CC3)CC2)CS1 ZINC000655713458 425635528 /nfs/dbraw/zinc/63/55/28/425635528.db2.gz MWOFJKXMOKRRDK-HOCLYGCPSA-N 1 3 311.539 2.419 20 0 DEADHO C[C@H](CNC(=O)C[C@@H]1NCc2ccccc21)C[NH+]1CCCC1 ZINC000662392749 425639799 /nfs/dbraw/zinc/63/97/99/425639799.db2.gz HIYBQVCOFPWFPI-PBHICJAKSA-N 1 3 301.434 2.069 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC12CCC(CC1)CC2 ZINC000665764079 425642601 /nfs/dbraw/zinc/64/26/01/425642601.db2.gz UAYDFNVXMMBFGQ-HJOIGYKYSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC12CCC(CC1)CC2 ZINC000665764079 425642605 /nfs/dbraw/zinc/64/26/05/425642605.db2.gz UAYDFNVXMMBFGQ-HJOIGYKYSA-N 1 3 324.513 2.280 20 0 DEADHO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cc(C(C)(C)N)no2)c1 ZINC000662792708 425736796 /nfs/dbraw/zinc/73/67/96/425736796.db2.gz CKAWPTYRQRHBAL-UHFFFAOYSA-N 1 3 316.405 2.491 20 0 DEADHO NC1(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC2(CCC2)C1 ZINC000662804318 425739492 /nfs/dbraw/zinc/73/94/92/425739492.db2.gz DMUHADIGKWMILS-HOCLYGCPSA-N 1 3 317.477 2.123 20 0 DEADHO NC1(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC2(CCC2)C1 ZINC000662804318 425739495 /nfs/dbraw/zinc/73/94/95/425739495.db2.gz DMUHADIGKWMILS-HOCLYGCPSA-N 1 3 317.477 2.123 20 0 DEADHO COc1ccc(C(C)C)cc1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000655940400 425692775 /nfs/dbraw/zinc/69/27/75/425692775.db2.gz AFOFEWZPXAIPLB-SFHVURJKSA-N 1 3 317.477 2.298 20 0 DEADHO [NH3+]C[C@H](NC(=O)N[C@H]1CCCN2CCCC[C@H]12)C1CCCCC1 ZINC000655964425 425695957 /nfs/dbraw/zinc/69/59/57/425695957.db2.gz SXYPHCUEHYUOSC-YESZJQIVSA-N 1 3 322.497 2.210 20 0 DEADHO CC1(C)CC[NH2+][C@H]1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000662658911 425704602 /nfs/dbraw/zinc/70/46/02/425704602.db2.gz MFBJHTCKOWYMQS-KRWDZBQOSA-N 1 3 315.461 2.155 20 0 DEADHO CN(C[C@@H]1CCOC1)CC1(C[N@H+](C)C[C@@H]2CCOC2)CCC1 ZINC000659988355 425707458 /nfs/dbraw/zinc/70/74/58/425707458.db2.gz UZMKHZSOSSYMIF-IRXDYDNUSA-N 1 3 310.482 2.093 20 0 DEADHO CN(C[C@@H]1CCOC1)CC1(C[N@@H+](C)C[C@@H]2CCOC2)CCC1 ZINC000659988355 425707460 /nfs/dbraw/zinc/70/74/60/425707460.db2.gz UZMKHZSOSSYMIF-IRXDYDNUSA-N 1 3 310.482 2.093 20 0 DEADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc2c(s1)CCNC2 ZINC000662694788 425714647 /nfs/dbraw/zinc/71/46/47/425714647.db2.gz SQTBBOBQGZQDJR-CYBMUJFWSA-N 1 3 321.490 2.244 20 0 DEADHO CC[C@H](NC)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000662705513 425719181 /nfs/dbraw/zinc/71/91/81/425719181.db2.gz OIRNABNQUIECPC-AWEZNQCLSA-N 1 3 304.438 2.129 20 0 DEADHO CC[C@@H](CC(F)F)CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000660074802 425729954 /nfs/dbraw/zinc/72/99/54/425729954.db2.gz QLAHSENJVHTBFH-LSDHHAIUSA-N 1 3 303.441 2.380 20 0 DEADHO CC[C@@H](CC(F)F)CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000660074802 425729957 /nfs/dbraw/zinc/72/99/57/425729957.db2.gz QLAHSENJVHTBFH-LSDHHAIUSA-N 1 3 303.441 2.380 20 0 DEADHO CC1(C)CC[NH2+][C@H]1C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000662772550 425732439 /nfs/dbraw/zinc/73/24/39/425732439.db2.gz AKIHIXMOEZZECE-LBPRGKRZSA-N 1 3 315.339 2.491 20 0 DEADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000660231447 425772354 /nfs/dbraw/zinc/77/23/54/425772354.db2.gz BMKSSWCTANVUDZ-SJORKVTESA-N 1 3 306.450 2.088 20 0 DEADHO CC(C)N(C)C[C@H](O)C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000660231447 425772357 /nfs/dbraw/zinc/77/23/57/425772357.db2.gz BMKSSWCTANVUDZ-SJORKVTESA-N 1 3 306.450 2.088 20 0 DEADHO CC1(C)CCCN[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663005954 425777608 /nfs/dbraw/zinc/77/76/08/425777608.db2.gz ZTWXOXAKWQTPCH-HZPDHXFCSA-N 1 3 307.482 2.003 20 0 DEADHO CC1(C)CCCN[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663005954 425777612 /nfs/dbraw/zinc/77/76/12/425777612.db2.gz ZTWXOXAKWQTPCH-HZPDHXFCSA-N 1 3 307.482 2.003 20 0 DEADHO CC1(C)CCCN[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662878136 425754554 /nfs/dbraw/zinc/75/45/54/425754554.db2.gz OJHGQVNLLGBFFQ-GDBMZVCRSA-N 1 3 307.482 2.288 20 0 DEADHO CC1(C)CCCN[C@@H]1C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662878136 425754556 /nfs/dbraw/zinc/75/45/56/425754556.db2.gz OJHGQVNLLGBFFQ-GDBMZVCRSA-N 1 3 307.482 2.288 20 0 DEADHO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1(NC2CC2)CCC1 ZINC000662878628 425755435 /nfs/dbraw/zinc/75/54/35/425755435.db2.gz UQOBWPFKEIFULC-OAHLLOKOSA-N 1 3 305.466 2.184 20 0 DEADHO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)C1(NC2CC2)CCC1 ZINC000662878628 425755438 /nfs/dbraw/zinc/75/54/38/425755438.db2.gz UQOBWPFKEIFULC-OAHLLOKOSA-N 1 3 305.466 2.184 20 0 DEADHO COC[C@H](C[N@H+](C)CCC1CCN(c2ccncc2)CC1)OC ZINC000660166486 425757549 /nfs/dbraw/zinc/75/75/49/425757549.db2.gz RBPOMNJDQIXLDM-SFHVURJKSA-N 1 3 321.465 2.281 20 0 DEADHO COC[C@H](C[N@@H+](C)CCC1CCN(c2ccncc2)CC1)OC ZINC000660166486 425757553 /nfs/dbraw/zinc/75/75/53/425757553.db2.gz RBPOMNJDQIXLDM-SFHVURJKSA-N 1 3 321.465 2.281 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CCO1 ZINC000397680726 269106520 /nfs/dbraw/zinc/10/65/20/269106520.db2.gz LPIKJAHGJSKLIX-FUHWJXTLSA-N 1 3 318.461 2.171 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000398101705 269107955 /nfs/dbraw/zinc/10/79/55/269107955.db2.gz ZLEIDLZBTBBCMV-SZMVWBNQSA-N 1 3 317.477 2.244 20 0 DEADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](N)C1CCC1 ZINC000399069397 269110787 /nfs/dbraw/zinc/11/07/87/269110787.db2.gz NGHCLVFPJGJEHT-QGZVFWFLSA-N 1 3 303.450 2.272 20 0 DEADHO C[C@@H](CN)C[NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496148697 269202923 /nfs/dbraw/zinc/20/29/23/269202923.db2.gz UFZCGADDCRWHLO-HNNXBMFYSA-N 1 3 319.449 2.220 20 0 DEADHO COc1ccc2c(c1)[C@H]([NH2+]CCCN1CCCN(C)CC1)CC2 ZINC000128305191 274135822 /nfs/dbraw/zinc/13/58/22/274135822.db2.gz JCTNVTSJPGMYGI-LJQANCHMSA-N 1 3 317.477 2.300 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)N(C)C ZINC000424030158 275665416 /nfs/dbraw/zinc/66/54/16/275665416.db2.gz FCBJINQYCPYGHK-IKGGRYGDSA-N 1 3 321.440 2.055 20 0 DEADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000289474855 276006380 /nfs/dbraw/zinc/00/63/80/276006380.db2.gz BFFSTGNCRRBOTE-ZACQAIPSSA-N 1 3 303.450 2.040 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)NC(C)(C)CC[NH3+])cc1 ZINC000422611022 276056395 /nfs/dbraw/zinc/05/63/95/276056395.db2.gz RGDIHVKVXKHTFX-HNNXBMFYSA-N 1 3 306.454 2.236 20 0 DEADHO CCN(C(=O)[C@@H]1CC[NH2+]C1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000368454533 276063445 /nfs/dbraw/zinc/06/34/45/276063445.db2.gz SSTNNHKYPJMOCI-NXHRZFHOSA-N 1 3 315.461 2.280 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)[C@@H](N)Cc1ccccc1)CC(C)C ZINC000164406173 276119401 /nfs/dbraw/zinc/11/94/01/276119401.db2.gz CTWRPSSUZUXLOM-ROUUACIJSA-N 1 3 319.493 2.429 20 0 DEADHO CC[NH+]1CCC(NC[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000429420893 276151130 /nfs/dbraw/zinc/15/11/30/276151130.db2.gz WUZUQXPIVDSUGA-QZTJIDSGSA-N 1 3 306.425 2.366 20 0 DEADHO CCC(CC)NC(=O)[C@H](C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374162837 276211259 /nfs/dbraw/zinc/21/12/59/276211259.db2.gz OLJANQBSJNRVSL-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CCN(C)CCNC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000338312378 276304861 /nfs/dbraw/zinc/30/48/61/276304861.db2.gz ISVXAJZUIWPQHU-UHFFFAOYSA-N 1 3 324.513 2.426 20 0 DEADHO CCO[C@@H](CC[NH+](C)C)CNCC1=Cc2ccccc2OC1 ZINC000151001617 276335364 /nfs/dbraw/zinc/33/53/64/276335364.db2.gz FCLHAXPRJUMQEL-KRWDZBQOSA-N 1 3 304.434 2.409 20 0 DEADHO CC[C@H](C(=O)Nc1ccc2c(c1)CNCCO2)[NH+](CC)CC ZINC000291022684 276547165 /nfs/dbraw/zinc/54/71/65/276547165.db2.gz FQUKOSFVELFXPF-OAHLLOKOSA-N 1 3 305.422 2.228 20 0 DEADHO CC(=O)NCCc1ccc([C@H](C)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000423209349 277034574 /nfs/dbraw/zinc/03/45/74/277034574.db2.gz DZXMQJIURQOGIG-DOXZYTNZSA-N 1 3 317.477 2.404 20 0 DEADHO C[C@H](CC[NH3+])NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000418525407 278171180 /nfs/dbraw/zinc/17/11/80/278171180.db2.gz MIJWMNQOEOTRAM-CVEARBPZSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCCOC[C@@H]1CCCO1 ZINC000422776401 278230208 /nfs/dbraw/zinc/23/02/08/278230208.db2.gz ALMQUQWKXMSBKB-SZMVWBNQSA-N 1 3 306.450 2.120 20 0 DEADHO CC[C@H]([NH2+]C[C@H](CC(C)C)N1CCOCC1)[C@H]1CCCCN1 ZINC000422801374 288048000 /nfs/dbraw/zinc/04/80/00/288048000.db2.gz FIAFKRDXKAGGQU-OKZBNKHCSA-N 1 3 311.514 2.244 20 0 DEADHO CC(C)(C)[C@H](N)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000236679705 278525721 /nfs/dbraw/zinc/52/57/21/278525721.db2.gz GEYSYVMGJXBJGT-HZPDHXFCSA-N 1 3 309.498 2.474 20 0 DEADHO CC(C)CC1(C[NH2+]C[C@H]2CCCN(C(=O)CN)C2)CCCC1 ZINC000415076024 278746046 /nfs/dbraw/zinc/74/60/46/278746046.db2.gz CCXMWOAIVAWNSX-MRXNPFEDSA-N 1 3 309.498 2.380 20 0 DEADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000358761537 288077823 /nfs/dbraw/zinc/07/78/23/288077823.db2.gz WVUVIIRCPIYBGQ-HZPDHXFCSA-N 1 3 324.513 2.090 20 0 DEADHO CC[NH+](CC)[C@H](CN[C@H](C1CC1)[C@@H]1CNCCO1)CC(C)C ZINC000422822913 279165143 /nfs/dbraw/zinc/16/51/43/279165143.db2.gz BVBJRWZPOYWIPO-OKZBNKHCSA-N 1 3 311.514 2.100 20 0 DEADHO CCN(CC)[C@H](C[NH2+][C@H](C1CC1)[C@@H]1CNCCO1)CC(C)C ZINC000422822913 279165144 /nfs/dbraw/zinc/16/51/44/279165144.db2.gz BVBJRWZPOYWIPO-OKZBNKHCSA-N 1 3 311.514 2.100 20 0 DEADHO CC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H](C)c1ccc(F)cc1 ZINC000414705910 279230055 /nfs/dbraw/zinc/23/00/55/279230055.db2.gz NZAPELYXMZPDDE-HUUCEWRRSA-N 1 3 321.440 2.406 20 0 DEADHO CC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H](C)c1ccc(F)cc1 ZINC000414705910 279230058 /nfs/dbraw/zinc/23/00/58/279230058.db2.gz NZAPELYXMZPDDE-HUUCEWRRSA-N 1 3 321.440 2.406 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC1CCC([NH3+])CC1 ZINC000417972470 279282497 /nfs/dbraw/zinc/28/24/97/279282497.db2.gz BNXIDUHEIYBUJY-ODIFPOPNSA-N 1 3 318.465 2.076 20 0 DEADHO CC(C)[C@@H](CNC(=O)N1C[C@H](C)NC[C@H]1C)[NH+]1CCC(C)CC1 ZINC000417007511 279843481 /nfs/dbraw/zinc/84/34/81/279843481.db2.gz KZWIVPVRPHMHDQ-GVDBMIGSSA-N 1 3 324.513 2.135 20 0 DEADHO C[C@H]1[C@@H](C)[N@@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)C[C@H]1C ZINC000419328828 280097059 /nfs/dbraw/zinc/09/70/59/280097059.db2.gz AKDRQCLGXLKWKT-YFHUEUNASA-N 1 3 317.477 2.382 20 0 DEADHO C[C@H]1[C@@H](C)[N@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)C[C@H]1C ZINC000419328828 280097062 /nfs/dbraw/zinc/09/70/62/280097062.db2.gz AKDRQCLGXLKWKT-YFHUEUNASA-N 1 3 317.477 2.382 20 0 DEADHO C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CC[C@@H](N3CCNCC3)C2)C1 ZINC000414780817 280173237 /nfs/dbraw/zinc/17/32/37/280173237.db2.gz HEQMJFRAZCBSQV-AQNXPRMDSA-N 1 3 313.489 2.476 20 0 DEADHO C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CC[C@@H](N3CCNCC3)C2)C1 ZINC000414780817 280173239 /nfs/dbraw/zinc/17/32/39/280173239.db2.gz HEQMJFRAZCBSQV-AQNXPRMDSA-N 1 3 313.489 2.476 20 0 DEADHO C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CC[C@@H](N3CCNCC3)C2)C1 ZINC000414780825 280173953 /nfs/dbraw/zinc/17/39/53/280173953.db2.gz HEQMJFRAZCBSQV-ZCNNSNEGSA-N 1 3 313.489 2.476 20 0 DEADHO C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CC[C@@H](N3CCNCC3)C2)C1 ZINC000414780825 280173956 /nfs/dbraw/zinc/17/39/56/280173956.db2.gz HEQMJFRAZCBSQV-ZCNNSNEGSA-N 1 3 313.489 2.476 20 0 DEADHO Cc1ccc([C@H](CNC(=O)NC2(C)CC[NH2+]CC2)N(C)C)cc1 ZINC000417311930 280984538 /nfs/dbraw/zinc/98/45/38/280984538.db2.gz MPQISGURQYYBOA-INIZCTEOSA-N 1 3 318.465 2.039 20 0 DEADHO C[NH+](C)C/C=C/C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000265618241 282018937 /nfs/dbraw/zinc/01/89/37/282018937.db2.gz GSONWBAFPMQETH-JXMROGBWSA-N 1 3 315.461 2.057 20 0 DEADHO C[C@H](C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1)N1CCCCCC1 ZINC000423958375 289269114 /nfs/dbraw/zinc/26/91/14/289269114.db2.gz BARNWHCSXCKZKC-ZACQAIPSSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C)[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000422128526 289279379 /nfs/dbraw/zinc/27/93/79/289279379.db2.gz FNSMEHQRTVMKOI-SJORKVTESA-N 1 3 318.465 2.025 20 0 DEADHO CN(C)[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000422128526 289279381 /nfs/dbraw/zinc/27/93/81/289279381.db2.gz FNSMEHQRTVMKOI-SJORKVTESA-N 1 3 318.465 2.025 20 0 DEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000423058357 295267286 /nfs/dbraw/zinc/26/72/86/295267286.db2.gz BWPNOULBFOQYJD-KGLIPLIRSA-N 1 3 307.404 2.368 20 0 DEADHO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000332325324 295270412 /nfs/dbraw/zinc/27/04/12/295270412.db2.gz RHDDDGGDMPGYCY-SJORKVTESA-N 1 3 322.497 2.021 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N(C)CCC[NH3+])c1ccsc1 ZINC000572943363 326000725 /nfs/dbraw/zinc/00/07/25/326000725.db2.gz HJEKTEAOHVRVRR-CQSZACIVSA-N 1 3 312.483 2.121 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)CC1 ZINC000574635036 326172870 /nfs/dbraw/zinc/17/28/70/326172870.db2.gz XBGACFBXJBRZLN-RBUKOAKNSA-N 1 3 323.525 2.294 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)CC1 ZINC000574635036 326172872 /nfs/dbraw/zinc/17/28/72/326172872.db2.gz XBGACFBXJBRZLN-RBUKOAKNSA-N 1 3 323.525 2.294 20 0 DEADHO C[N@H+](Cc1ccccc1CNCCC(N)=O)C1CCCCC1 ZINC000575040472 326212418 /nfs/dbraw/zinc/21/24/18/326212418.db2.gz ZCDJKOIRIFRHQE-UHFFFAOYSA-N 1 3 303.450 2.416 20 0 DEADHO C[N@@H+](Cc1ccccc1CNCCC(N)=O)C1CCCCC1 ZINC000575040472 326212422 /nfs/dbraw/zinc/21/24/22/326212422.db2.gz ZCDJKOIRIFRHQE-UHFFFAOYSA-N 1 3 303.450 2.416 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@H](O)COCc2ccccc2)C1 ZINC000575052833 326213961 /nfs/dbraw/zinc/21/39/61/326213961.db2.gz MXOKXDLBLCJOIW-OALUTQOASA-N 1 3 320.477 2.274 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC[C@H](O)COCc2ccccc2)C1 ZINC000575052833 326213964 /nfs/dbraw/zinc/21/39/64/326213964.db2.gz MXOKXDLBLCJOIW-OALUTQOASA-N 1 3 320.477 2.274 20 0 DEADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](O)COCc2ccccc2)C1 ZINC000575052833 326213965 /nfs/dbraw/zinc/21/39/65/326213965.db2.gz MXOKXDLBLCJOIW-OALUTQOASA-N 1 3 320.477 2.274 20 0 DEADHO Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCC[C@@H](N)C3)CC2)cc1 ZINC000575331247 326235116 /nfs/dbraw/zinc/23/51/16/326235116.db2.gz NQHICEGJNDLXPI-SJLPKXTDSA-N 1 3 315.461 2.459 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)N(C)CCC[NH+](C)C)c1ccco1 ZINC000576492440 326298164 /nfs/dbraw/zinc/29/81/64/326298164.db2.gz XPNWBFUIJGQXSH-GJZGRUSLSA-N 1 3 324.469 2.302 20 0 DEADHO CC[C@H](O)C[NH2+]CCCOC1CCN(Cc2ccccc2)CC1 ZINC000576627626 326306973 /nfs/dbraw/zinc/30/69/73/326306973.db2.gz ABHQSNQNCDMHSZ-SFHVURJKSA-N 1 3 320.477 2.418 20 0 DEADHO CC[N@H+](C)C[C@H](O)CN(C)C[C@H](C)Cc1ccc(OC)cc1 ZINC000577289643 326355612 /nfs/dbraw/zinc/35/56/12/326355612.db2.gz CENONWLPCHCJFC-WBVHZDCISA-N 1 3 308.466 2.118 20 0 DEADHO CC[N@@H+](C)C[C@H](O)CN(C)C[C@H](C)Cc1ccc(OC)cc1 ZINC000577289643 326355614 /nfs/dbraw/zinc/35/56/14/326355614.db2.gz CENONWLPCHCJFC-WBVHZDCISA-N 1 3 308.466 2.118 20 0 DEADHO CCc1cc(N2CCC[C@H]([NH2+][C@H]3CCCC[C@@H]3CN)C2)ncn1 ZINC000584285782 332212846 /nfs/dbraw/zinc/21/28/46/332212846.db2.gz RMODPOCIEOSMIM-PVAVHDDUSA-N 1 3 317.481 2.115 20 0 DEADHO CCc1cc(N2CCC[C@H](N[C@H]3CCCC[C@@H]3C[NH3+])C2)ncn1 ZINC000584285782 332212847 /nfs/dbraw/zinc/21/28/47/332212847.db2.gz RMODPOCIEOSMIM-PVAVHDDUSA-N 1 3 317.481 2.115 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000582656019 337121473 /nfs/dbraw/zinc/12/14/73/337121473.db2.gz IEMDWGZLYFTKJE-GJZGRUSLSA-N 1 3 310.486 2.020 20 0 DEADHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)COc2cccc(C)c2)C1 ZINC000582959510 337218744 /nfs/dbraw/zinc/21/87/44/337218744.db2.gz CSLDHFGZAWZUFR-IRXDYDNUSA-N 1 3 306.450 2.056 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CNCc2ccccc21 ZINC000583810008 337336144 /nfs/dbraw/zinc/33/61/44/337336144.db2.gz RAQUHXVXQJOONA-AEFFLSMTSA-N 1 3 315.461 2.254 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CNCc2ccccc21 ZINC000583810008 337336145 /nfs/dbraw/zinc/33/61/45/337336145.db2.gz RAQUHXVXQJOONA-AEFFLSMTSA-N 1 3 315.461 2.254 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](CN(C)C/C=C/Cl)C1 ZINC001376294879 1159320848 /nfs/dbraw/zinc/32/08/48/1159320848.db2.gz QKWULMNDAZRMSJ-PPYMECGQSA-N 1 3 315.889 2.251 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](CN(C)C/C=C/Cl)C1 ZINC001376294879 1159320860 /nfs/dbraw/zinc/32/08/60/1159320860.db2.gz QKWULMNDAZRMSJ-PPYMECGQSA-N 1 3 315.889 2.251 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](C[C@H](C)CC)CC[C@@H]2C1 ZINC001397217476 1160059016 /nfs/dbraw/zinc/05/90/16/1160059016.db2.gz NDMMVLIAVUTEQC-ZACQAIPSSA-N 1 3 309.498 2.155 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](C[C@H](C)CC)CC[C@@H]2C1 ZINC001397217476 1160059024 /nfs/dbraw/zinc/05/90/24/1160059024.db2.gz NDMMVLIAVUTEQC-ZACQAIPSSA-N 1 3 309.498 2.155 20 0 DEADHO CC[C@@H](F)CN(C)C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001398467023 1160899630 /nfs/dbraw/zinc/89/96/30/1160899630.db2.gz DAHYDGULXQIOOS-JKSUJKDBSA-N 1 3 315.477 2.247 20 0 DEADHO CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001089058769 782142162 /nfs/dbraw/zinc/14/21/62/782142162.db2.gz IBLSXOHIHMPASU-PBHICJAKSA-N 1 3 303.450 2.351 20 0 DEADHO CCC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001089058769 782142166 /nfs/dbraw/zinc/14/21/66/782142166.db2.gz IBLSXOHIHMPASU-PBHICJAKSA-N 1 3 303.450 2.351 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]CC2CC(C)C2)CCCC1)N(C)C ZINC001378710800 1152420690 /nfs/dbraw/zinc/42/06/90/1152420690.db2.gz QEUVBEMEPTUWHQ-GPANFISMSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCC1)N(C)C ZINC001399906225 1161604445 /nfs/dbraw/zinc/60/44/45/1161604445.db2.gz QJUZUTWDYBVVRT-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCC1)N(C)C ZINC001399906225 1161604447 /nfs/dbraw/zinc/60/44/47/1161604447.db2.gz QJUZUTWDYBVVRT-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCOc1ncccc1C(F)(F)F ZINC000422994302 534067983 /nfs/dbraw/zinc/06/79/83/534067983.db2.gz HMCTYTFIEBWGHI-YPMHNXCESA-N 1 3 317.355 2.457 20 0 DEADHO C[C@@H]1CN(C(C)(C)CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000422797396 534436958 /nfs/dbraw/zinc/43/69/58/534436958.db2.gz MJUNRHQVOPADQI-CWQOZTLDSA-N 1 3 323.525 2.385 20 0 DEADHO CC[NH+](CC)CCCNC(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000337369569 520613606 /nfs/dbraw/zinc/61/36/06/520613606.db2.gz OJWJRAHFFNEMCV-CVEARBPZSA-N 1 3 312.502 2.280 20 0 DEADHO CC[N@H+](CCNC(=O)NCc1ccc(CN(C)C)cc1)C(C)C ZINC000102549496 521058992 /nfs/dbraw/zinc/05/89/92/521058992.db2.gz MROHNMDRTZMNFL-UHFFFAOYSA-N 1 3 320.481 2.278 20 0 DEADHO CC[N@@H+](CCNC(=O)NCc1ccc(CN(C)C)cc1)C(C)C ZINC000102549496 521058995 /nfs/dbraw/zinc/05/89/95/521058995.db2.gz MROHNMDRTZMNFL-UHFFFAOYSA-N 1 3 320.481 2.278 20 0 DEADHO CC(C)CCC[N@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001378902813 1152484690 /nfs/dbraw/zinc/48/46/90/1152484690.db2.gz IDZMWSSXWRINQV-UHFFFAOYSA-N 1 3 306.454 2.311 20 0 DEADHO CC(C)CCC[N@@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001378902813 1152484695 /nfs/dbraw/zinc/48/46/95/1152484695.db2.gz IDZMWSSXWRINQV-UHFFFAOYSA-N 1 3 306.454 2.311 20 0 DEADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CCN2CCCC2)C1 ZINC000112745656 524084853 /nfs/dbraw/zinc/08/48/53/524084853.db2.gz ZHEDYCMRYFLHKM-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CCN2CCCC2)C1 ZINC000112745656 524084857 /nfs/dbraw/zinc/08/48/57/524084857.db2.gz ZHEDYCMRYFLHKM-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO Cc1ccccc1C[C@H](C)NC(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000443062944 534817409 /nfs/dbraw/zinc/81/74/09/534817409.db2.gz YFAKBVIRIGNAOZ-DLBZAZTESA-N 1 3 317.477 2.103 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NC1CCN(C2CC2)CC1 ZINC000339412835 526247885 /nfs/dbraw/zinc/24/78/85/526247885.db2.gz IRSSCXKMWPYYTI-HNNXBMFYSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)NC1CCN(C2CC2)CC1 ZINC000339412835 526247887 /nfs/dbraw/zinc/24/78/87/526247887.db2.gz IRSSCXKMWPYYTI-HNNXBMFYSA-N 1 3 322.497 2.177 20 0 DEADHO C(N[C@H](C1CC1)[C@@H]1CNCCO1)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423094101 527490972 /nfs/dbraw/zinc/49/09/72/527490972.db2.gz JIXUSDBGYJQCGB-CEXWTWQISA-N 1 3 321.509 2.140 20 0 DEADHO C(N[C@H](C1CC1)[C@@H]1CNCCO1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000423094101 527490983 /nfs/dbraw/zinc/49/09/83/527490983.db2.gz JIXUSDBGYJQCGB-CEXWTWQISA-N 1 3 321.509 2.140 20 0 DEADHO C([NH2+][C@H](C1CC1)[C@@H]1CNCCO1)[C@H]1CCCN1C1CCCCC1 ZINC000423094101 527490988 /nfs/dbraw/zinc/49/09/88/527490988.db2.gz JIXUSDBGYJQCGB-CEXWTWQISA-N 1 3 321.509 2.140 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)[C@H](N)c1ccccc1 ZINC000417830304 527523644 /nfs/dbraw/zinc/52/36/44/527523644.db2.gz JDUCLERQYFPTOW-FVQBIDKESA-N 1 3 303.450 2.346 20 0 DEADHO CCCN(C(=O)NCCN1CCCC[C@H]1CC)[C@@H]1CC[NH2+]C1 ZINC000417709965 527752726 /nfs/dbraw/zinc/75/27/26/527752726.db2.gz XBWZOGALJYMCSR-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418369692 528079899 /nfs/dbraw/zinc/07/98/99/528079899.db2.gz URUOKNBWMBTHEH-KRWDZBQOSA-N 1 3 324.513 2.411 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@@H](C)CCC[NH3+])cc1 ZINC000418346924 528143542 /nfs/dbraw/zinc/14/35/42/528143542.db2.gz IFNCWDDCWBDHJT-XJKSGUPXSA-N 1 3 306.454 2.236 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N[C@H](C)CCCC[NH3+] ZINC000418245488 528313682 /nfs/dbraw/zinc/31/36/82/528313682.db2.gz YFEFYPJQTUFINS-CVEARBPZSA-N 1 3 312.502 2.314 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000418245540 528315059 /nfs/dbraw/zinc/31/50/59/528315059.db2.gz YIOFVTDTJBVKQQ-ULQDDVLXSA-N 1 3 324.513 2.184 20 0 DEADHO CC[NH2+]CCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000417739998 528316137 /nfs/dbraw/zinc/31/61/37/528316137.db2.gz RFGFGXDMPDWZTK-HIFRSBDPSA-N 1 3 324.494 2.040 20 0 DEADHO CCOC(=O)c1csc(CC[NH2+][C@H]2CCCCC[C@@H]2N)n1 ZINC000423065742 528337279 /nfs/dbraw/zinc/33/72/79/528337279.db2.gz BWPPDLXSSLNKPP-RYUDHWBXSA-N 1 3 311.451 2.112 20 0 DEADHO CCCC[N@H+](C)CCNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000447959080 528342498 /nfs/dbraw/zinc/34/24/98/528342498.db2.gz MIJUQDYOWPRFRT-HNNXBMFYSA-N 1 3 312.502 2.138 20 0 DEADHO CCCC[N@@H+](C)CCNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000447959080 528342509 /nfs/dbraw/zinc/34/25/09/528342509.db2.gz MIJUQDYOWPRFRT-HNNXBMFYSA-N 1 3 312.502 2.138 20 0 DEADHO CC[NH2+][C@H](C)CNC(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000418596358 528400474 /nfs/dbraw/zinc/40/04/74/528400474.db2.gz YOEYYUBQQGDRMK-OAHLLOKOSA-N 1 3 320.481 2.278 20 0 DEADHO CC[NH2+][C@H](C)CNC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418497919 528413853 /nfs/dbraw/zinc/41/38/53/528413853.db2.gz JDWGKECIYPJDAD-DYVFJYSZSA-N 1 3 314.433 2.137 20 0 DEADHO CCN(CCCN1CC[C@]2(CC[N@H+](C)C2)C1)CC(F)(F)F ZINC000429002938 528451326 /nfs/dbraw/zinc/45/13/26/528451326.db2.gz CIXLAODJDZDOKL-AWEZNQCLSA-N 1 3 307.404 2.288 20 0 DEADHO CCN(CCCN1CC[C@]2(CC[N@@H+](C)C2)C1)CC(F)(F)F ZINC000429002938 528451329 /nfs/dbraw/zinc/45/13/29/528451329.db2.gz CIXLAODJDZDOKL-AWEZNQCLSA-N 1 3 307.404 2.288 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000423747158 528778617 /nfs/dbraw/zinc/77/86/17/528778617.db2.gz SCTGGQHYIQOQNK-GOSISDBHSA-N 1 3 303.450 2.096 20 0 DEADHO CCOCCOCc1cccc(CN[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422862121 528812029 /nfs/dbraw/zinc/81/20/29/528812029.db2.gz NLAVUSVINJQNAB-MSOLQXFVSA-N 1 3 306.450 2.457 20 0 DEADHO CC(C)N(C)c1ccccc1CN[C@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000423059117 528854368 /nfs/dbraw/zinc/85/43/68/528854368.db2.gz LELRPXSSKRWAEH-UAGQMJEPSA-N 1 3 305.466 2.373 20 0 DEADHO CCC(CC)[C@H](C[NH2+][C@H](C)C[C@@H]1COCCN1)N1CCCC1 ZINC000422820981 528855370 /nfs/dbraw/zinc/85/53/70/528855370.db2.gz TXTAQYBPKIXYOB-NXHRZFHOSA-N 1 3 311.514 2.244 20 0 DEADHO CCC(CC)[C@H](CN[C@H](C)C[C@@H]1COCCN1)[NH+]1CCCC1 ZINC000422820981 528855374 /nfs/dbraw/zinc/85/53/74/528855374.db2.gz TXTAQYBPKIXYOB-NXHRZFHOSA-N 1 3 311.514 2.244 20 0 DEADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000417577366 528941904 /nfs/dbraw/zinc/94/19/04/528941904.db2.gz JGAJJACGQIYSNN-NVXWUHKLSA-N 1 3 320.481 2.324 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000447962960 528997795 /nfs/dbraw/zinc/99/77/95/528997795.db2.gz CAJVDFUQSLWKQM-INIZCTEOSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)[C@H]([NH3+])CNC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000418384323 529057348 /nfs/dbraw/zinc/05/73/48/529057348.db2.gz KEEGHVOWTQXPQM-MRXNPFEDSA-N 1 3 320.481 2.180 20 0 DEADHO CCN1CCN(Cc2ccc(N[C@H](C)[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000422916022 529149534 /nfs/dbraw/zinc/14/95/34/529149534.db2.gz CENLWFYMOMJZBW-APWZRJJASA-N 1 3 316.493 2.377 20 0 DEADHO CC[C@@H](NCc1cccc(OCCN(C)C)c1)[C@@H]1CCC[NH2+]1 ZINC000422899305 529185889 /nfs/dbraw/zinc/18/58/89/529185889.db2.gz OINBGUQRKPSUDI-MSOLQXFVSA-N 1 3 305.466 2.247 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCCN1CCC[C@H](C)C1 ZINC000357610260 535306417 /nfs/dbraw/zinc/30/64/17/535306417.db2.gz SMYHJGNIHQCNST-JKSUJKDBSA-N 1 3 312.502 2.138 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCCN1CCC[C@H](C)C1 ZINC000357610260 535306423 /nfs/dbraw/zinc/30/64/23/535306423.db2.gz SMYHJGNIHQCNST-JKSUJKDBSA-N 1 3 312.502 2.138 20 0 DEADHO CC[NH2+]CC1CCN(Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000347020933 535459812 /nfs/dbraw/zinc/45/98/12/535459812.db2.gz NHVYNOUKPMHNPN-UHFFFAOYSA-N 1 3 304.360 2.267 20 0 DEADHO CC[NH2+]CC1CCN(Cc2cnc3nc(C)cc(C)n23)CC1 ZINC000347037070 535459921 /nfs/dbraw/zinc/45/99/21/535459921.db2.gz FQPKZKXTJSWEES-UHFFFAOYSA-N 1 3 301.438 2.168 20 0 DEADHO CCN(C(=O)/C=C\C[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000492622281 535656516 /nfs/dbraw/zinc/65/65/16/535656516.db2.gz JDNMOIHHLYSGEN-IBWPDUFMSA-N 1 3 315.461 2.227 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)c1ccsc1 ZINC000372440176 535674620 /nfs/dbraw/zinc/67/46/20/535674620.db2.gz WWWPCZUDKVLFSP-ZMSDIMECSA-N 1 3 321.490 2.247 20 0 DEADHO CCOC[C@@H](O)CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449160615 535676056 /nfs/dbraw/zinc/67/60/56/535676056.db2.gz CBJBHHQWWDOMFX-LPHOPBHVSA-N 1 3 320.477 2.069 20 0 DEADHO CCc1ccc(CN(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)cn1 ZINC000349036161 536172813 /nfs/dbraw/zinc/17/28/13/536172813.db2.gz NCXDLPBKUMABCS-IBGZPJMESA-N 1 3 318.509 2.492 20 0 DEADHO CCc1ccc(CN(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)cn1 ZINC000349036161 536172818 /nfs/dbraw/zinc/17/28/18/536172818.db2.gz NCXDLPBKUMABCS-IBGZPJMESA-N 1 3 318.509 2.492 20 0 DEADHO COCCOc1ccc(CN2CCC(OCCC[NH3+])CC2)cc1 ZINC000346685545 536619076 /nfs/dbraw/zinc/61/90/76/536619076.db2.gz SVLMIKRRCPEBRE-UHFFFAOYSA-N 1 3 322.449 2.042 20 0 DEADHO COc1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000317243725 536841580 /nfs/dbraw/zinc/84/15/80/536841580.db2.gz MPCSRDHXAWUVLZ-CVEARBPZSA-N 1 3 304.434 2.463 20 0 DEADHO COc1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000317243725 536841586 /nfs/dbraw/zinc/84/15/86/536841586.db2.gz MPCSRDHXAWUVLZ-CVEARBPZSA-N 1 3 304.434 2.463 20 0 DEADHO COc1cc(OC)c(OC)cc1CN1CCC([C@H](C)[NH3+])CC1 ZINC000261839937 536866359 /nfs/dbraw/zinc/86/63/59/536866359.db2.gz CLIRYELIOFBSSC-LBPRGKRZSA-N 1 3 308.422 2.272 20 0 DEADHO CC[C@H](C(=O)NC[C@H]([NH2+]Cc1ccc(F)cc1)C(C)C)N(C)C ZINC001379005368 1152526371 /nfs/dbraw/zinc/52/63/71/1152526371.db2.gz ZXKVUFNOCHUGAN-DLBZAZTESA-N 1 3 323.456 2.396 20 0 DEADHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccc(F)cc1 ZINC001368737853 1148628349 /nfs/dbraw/zinc/62/83/49/1148628349.db2.gz TVMZQCQKAWXIEW-CABCVRRESA-N 1 3 321.440 2.152 20 0 DEADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001379220912 1152592178 /nfs/dbraw/zinc/59/21/78/1152592178.db2.gz FKJUAXFCRWAWHM-HOCLYGCPSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)CCC1CC1)N(C)C ZINC001368811663 1148681012 /nfs/dbraw/zinc/68/10/12/1148681012.db2.gz DWGAJIVXTUZPID-IRXDYDNUSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CCC1CC1)N(C)C ZINC001368811663 1148681020 /nfs/dbraw/zinc/68/10/20/1148681020.db2.gz DWGAJIVXTUZPID-IRXDYDNUSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCC2CCCC2)[C@H]1C ZINC001379560193 1152642968 /nfs/dbraw/zinc/64/29/68/1152642968.db2.gz BYOBTHBZEMPQCU-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H]1C[C@@H](NC/C=C/Cl)CN1C(=O)CC1CC[NH+](C)CC1 ZINC001379588480 1152647396 /nfs/dbraw/zinc/64/73/96/1152647396.db2.gz SYDMXRNLKGHNBG-YYAKZPHOSA-N 1 3 313.873 2.050 20 0 DEADHO CN1CCC(N(CC[NH+](C)C)C(=O)OC2CCCCC2)CC1 ZINC000867123567 649931769 /nfs/dbraw/zinc/93/17/69/649931769.db2.gz BMZPBUYOQGPCJD-UHFFFAOYSA-N 1 3 311.470 2.414 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC(C)C)[C@@H]2C1 ZINC001379634004 1152659362 /nfs/dbraw/zinc/65/93/62/1152659362.db2.gz YRUUJFCITQITJI-GVDBMIGSSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)(C)CCCN1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001380026005 1152734287 /nfs/dbraw/zinc/73/42/87/1152734287.db2.gz NSKSQOWAECXUGP-HNNXBMFYSA-N 1 3 307.482 2.099 20 0 DEADHO C[N@H+](Cc1ccccc1)[C@@H](CNc1ccncc1CO)C1CC1 ZINC000893254582 625314994 /nfs/dbraw/zinc/31/49/94/625314994.db2.gz AICNRBGZKZEPLL-IBGZPJMESA-N 1 3 311.429 2.318 20 0 DEADHO C[N@@H+](Cc1ccccc1)[C@@H](CNc1ccncc1CO)C1CC1 ZINC000893254582 625314998 /nfs/dbraw/zinc/31/49/98/625314998.db2.gz AICNRBGZKZEPLL-IBGZPJMESA-N 1 3 311.429 2.318 20 0 DEADHO COc1ccc(C[C@H](C)N[C@H]2C[C@H]([NH3+])C23CCC3)cc1OC ZINC000925575225 625398677 /nfs/dbraw/zinc/39/86/77/625398677.db2.gz REHUESUMIVSOJJ-ZLIFDBKOSA-N 1 3 304.434 2.494 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1)N(C)C ZINC001019395679 625484369 /nfs/dbraw/zinc/48/43/69/625484369.db2.gz HFJKBKJFLSDXOJ-COXVUDFISA-N 1 3 321.440 2.417 20 0 DEADHO COc1ccc(CCNC(=[NH2+])NCCN(C(C)C)C(C)C)cc1 ZINC000066242591 622739054 /nfs/dbraw/zinc/73/90/54/622739054.db2.gz ZYFHKRQSJZQBCP-UHFFFAOYSA-N 1 3 320.481 2.470 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 ZINC001020586662 622927858 /nfs/dbraw/zinc/92/78/58/622927858.db2.gz VEXDUVRQFNSDBN-XIRDDKMYSA-N 1 3 307.482 2.288 20 0 DEADHO C[NH+]1CCC(CC(=O)N2CC[C@@H](NCc3ccsc3)C2)CC1 ZINC000970177737 623281465 /nfs/dbraw/zinc/28/14/65/623281465.db2.gz CVGPMGNDZPFMHH-MRXNPFEDSA-N 1 3 321.490 2.171 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2CC2)C1 ZINC000970530404 623522807 /nfs/dbraw/zinc/52/28/07/623522807.db2.gz ZBJFBGNCIPIZIG-PBHICJAKSA-N 1 3 307.482 2.096 20 0 DEADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC000970717186 623639876 /nfs/dbraw/zinc/63/98/76/623639876.db2.gz KNHHCKLUHVTMLC-QGZVFWFLSA-N 1 3 319.493 2.243 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021606160 623823229 /nfs/dbraw/zinc/82/32/29/623823229.db2.gz PCYNVUFWYOROOC-AEFFLSMTSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021606160 623823234 /nfs/dbraw/zinc/82/32/34/623823234.db2.gz PCYNVUFWYOROOC-AEFFLSMTSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)[C@@H](CNC(=O)N(C)[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000891476043 624211261 /nfs/dbraw/zinc/21/12/61/624211261.db2.gz LPYNDBQLVAVFRD-IRXDYDNUSA-N 1 3 318.465 2.025 20 0 DEADHO CN(C)[C@@H](CNC(=O)N(C)[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000891476043 624211262 /nfs/dbraw/zinc/21/12/62/624211262.db2.gz LPYNDBQLVAVFRD-IRXDYDNUSA-N 1 3 318.465 2.025 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC2=CCCCC2)C1)C1CC1 ZINC000971687585 624505230 /nfs/dbraw/zinc/50/52/30/624505230.db2.gz ZSBRSYJYIUWUQI-QZTJIDSGSA-N 1 3 319.493 2.360 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2=CCCCC2)C1)C1CC1 ZINC000971687585 624505232 /nfs/dbraw/zinc/50/52/32/624505232.db2.gz ZSBRSYJYIUWUQI-QZTJIDSGSA-N 1 3 319.493 2.360 20 0 DEADHO COc1cncc(/C=C/CCN2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c1 ZINC000933734717 624609837 /nfs/dbraw/zinc/60/98/37/624609837.db2.gz VOBBIMOXIXNWII-VFQYTZJCSA-N 1 3 301.434 2.377 20 0 DEADHO COc1cncc(/C=C/CCN2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c1 ZINC000933734717 624609838 /nfs/dbraw/zinc/60/98/38/624609838.db2.gz VOBBIMOXIXNWII-VFQYTZJCSA-N 1 3 301.434 2.377 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC001022711530 624863959 /nfs/dbraw/zinc/86/39/59/624863959.db2.gz AIVXPWPFLZZIGD-NXHRZFHOSA-N 1 3 315.461 2.216 20 0 DEADHO Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@H](C)C3)C2)cs1 ZINC001022717055 624869925 /nfs/dbraw/zinc/86/99/25/624869925.db2.gz OHQMRSZOFVAYBF-VBNZEHGJSA-N 1 3 321.490 2.135 20 0 DEADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000226876203 624931311 /nfs/dbraw/zinc/93/13/11/624931311.db2.gz YWWYVERDENBNLI-VHDGCEQUSA-N 1 3 312.841 2.152 20 0 DEADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2ccc(Cl)cc2)CC[N@H+]1C ZINC000226876203 624931313 /nfs/dbraw/zinc/93/13/13/624931313.db2.gz YWWYVERDENBNLI-VHDGCEQUSA-N 1 3 312.841 2.152 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CC3=CCCCC3)C2)C1 ZINC000972332336 624931546 /nfs/dbraw/zinc/93/15/46/624931546.db2.gz BRXUQQCZBXODIJ-FUHWJXTLSA-N 1 3 319.493 2.361 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CC3=CCCCC3)C2)C1 ZINC000972332336 624931547 /nfs/dbraw/zinc/93/15/47/624931547.db2.gz BRXUQQCZBXODIJ-FUHWJXTLSA-N 1 3 319.493 2.361 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC000972333606 624932244 /nfs/dbraw/zinc/93/22/44/624932244.db2.gz YASUEOJMDOTGQK-RDJZCZTQSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC000972333606 624932245 /nfs/dbraw/zinc/93/22/45/624932245.db2.gz YASUEOJMDOTGQK-RDJZCZTQSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000892286863 624939737 /nfs/dbraw/zinc/93/97/37/624939737.db2.gz TTWYFZUKKWSNPC-YYIAUSFCSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000892286863 624939738 /nfs/dbraw/zinc/93/97/38/624939738.db2.gz TTWYFZUKKWSNPC-YYIAUSFCSA-N 1 3 324.513 2.088 20 0 DEADHO C[N@H+](CC1CC2(CCC2)C1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972426844 625071329 /nfs/dbraw/zinc/07/13/29/625071329.db2.gz QQIQYPIEWSGDLI-INIZCTEOSA-N 1 3 316.449 2.065 20 0 DEADHO C[N@@H+](CC1CC2(CCC2)C1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972426844 625071337 /nfs/dbraw/zinc/07/13/37/625071337.db2.gz QQIQYPIEWSGDLI-INIZCTEOSA-N 1 3 316.449 2.065 20 0 DEADHO CC(C)[NH+]1CCC(O)(CNCc2cc(O)cc(Cl)c2)CC1 ZINC000893105041 625117291 /nfs/dbraw/zinc/11/72/91/625117291.db2.gz BTYVINQANSMUEG-UHFFFAOYSA-N 1 3 312.841 2.371 20 0 DEADHO CC[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C(C)C ZINC001026086854 625131458 /nfs/dbraw/zinc/13/14/58/625131458.db2.gz UMMBPMRMXFSMSD-QXDIGNSFSA-N 1 3 321.509 2.342 20 0 DEADHO CC[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C(C)C ZINC001026086854 625131460 /nfs/dbraw/zinc/13/14/60/625131460.db2.gz UMMBPMRMXFSMSD-QXDIGNSFSA-N 1 3 321.509 2.342 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(CC(C)C)nc2)CC1 ZINC000892575052 625162522 /nfs/dbraw/zinc/16/25/22/625162522.db2.gz QMACHZHWLFXNME-KRWDZBQOSA-N 1 3 318.509 2.396 20 0 DEADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)NCCCCCCC[NH+](C)C ZINC000892339954 625164595 /nfs/dbraw/zinc/16/45/95/625164595.db2.gz KEBWQCYVOJIEJY-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(C)C2)C1 ZINC001023130765 625165037 /nfs/dbraw/zinc/16/50/37/625165037.db2.gz HAOJXHMFOQGFJJ-ZKLCHKPXSA-N 1 3 307.482 2.144 20 0 DEADHO C(C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1)COC[C@H]1CCCO1 ZINC000925522478 625187145 /nfs/dbraw/zinc/18/71/45/625187145.db2.gz ZWERWIMWZZUWJM-FGTMMUONSA-N 1 3 310.482 2.330 20 0 DEADHO CC1(C)CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]CC2CC2)C1 ZINC001025085616 625200640 /nfs/dbraw/zinc/20/06/40/625200640.db2.gz VAOASFAFIIZWBP-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC(C)C)C1 ZINC001007455592 625248569 /nfs/dbraw/zinc/24/85/69/625248569.db2.gz CKQIOLQZIAKGET-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC(C)C)C1 ZINC001007455592 625248578 /nfs/dbraw/zinc/24/85/78/625248578.db2.gz CKQIOLQZIAKGET-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC4CCC4)[C@@H]3C2)CCC1 ZINC001026282001 625254892 /nfs/dbraw/zinc/25/48/92/625254892.db2.gz LYOWVZDQJGQCOE-GVDBMIGSSA-N 1 3 319.493 2.097 20 0 DEADHO CN(CC(=O)N1C[C@@H]2CC[C@H]([NH2+]CCC3CC3)[C@@H]2C1)C1CCC1 ZINC001026285015 625261952 /nfs/dbraw/zinc/26/19/52/625261952.db2.gz WXCJWGFGDOCHAW-JQHSSLGASA-N 1 3 319.493 2.097 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001024437496 625773774 /nfs/dbraw/zinc/77/37/74/625773774.db2.gz SIGSMAZZEBKLLM-IAGOWNOFSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001024437496 625773783 /nfs/dbraw/zinc/77/37/83/625773783.db2.gz SIGSMAZZEBKLLM-IAGOWNOFSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H]1[C@H](N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CCN1Cc1ccccc1 ZINC000328509568 625780732 /nfs/dbraw/zinc/78/07/32/625780732.db2.gz ANTLORDWEKYISN-QKVQVLEHSA-N 1 3 311.473 2.235 20 0 DEADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001019774735 625831335 /nfs/dbraw/zinc/83/13/35/625831335.db2.gz GBRQYXKUNSEATB-KRWDZBQOSA-N 1 3 307.482 2.243 20 0 DEADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001019775792 625832183 /nfs/dbraw/zinc/83/21/83/625832183.db2.gz FHZKYYQIQCHQPH-INIZCTEOSA-N 1 3 321.852 2.126 20 0 DEADHO COC(=O)[C@H](C)Oc1ccccc1C[NH2+]C[C@@H]1CCCN(C)C1 ZINC000921714472 634804349 /nfs/dbraw/zinc/80/43/49/634804349.db2.gz ASYQEZZNCPRCOJ-GJZGRUSLSA-N 1 3 320.433 2.058 20 0 DEADHO CN1CCC([N@@H+]2CC[C@@H](NCc3nc(C(C)(C)C)co3)C2)CC1 ZINC000921733788 634813738 /nfs/dbraw/zinc/81/37/38/634813738.db2.gz QBECCRHMWIPHGB-CQSZACIVSA-N 1 3 320.481 2.230 20 0 DEADHO CN1CCC([N@H+]2CC[C@@H](NCc3nc(C(C)(C)C)co3)C2)CC1 ZINC000921733788 634813742 /nfs/dbraw/zinc/81/37/42/634813742.db2.gz QBECCRHMWIPHGB-CQSZACIVSA-N 1 3 320.481 2.230 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC000995880327 633134044 /nfs/dbraw/zinc/13/40/44/633134044.db2.gz JSTKCZZTLHKLAT-HZPDHXFCSA-N 1 3 307.482 2.097 20 0 DEADHO CN(CC(=O)N1C[C@H]([NH2+]CC2CCCC2)C(C)(C)C1)C1CCC1 ZINC000995900853 633135839 /nfs/dbraw/zinc/13/58/39/633135839.db2.gz AIBJWXUUKDDPAX-KRWDZBQOSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](C)C[N@@H+]1C[C@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC000974768318 633293249 /nfs/dbraw/zinc/29/32/49/633293249.db2.gz UGGTZHHGUSTVAM-CVEARBPZSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](C)C[N@H+]1C[C@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC000974768318 633293254 /nfs/dbraw/zinc/29/32/54/633293254.db2.gz UGGTZHHGUSTVAM-CVEARBPZSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC([NH2+]CC2CC(C)(C)C2)CC1)C1CC1 ZINC000996680861 633348300 /nfs/dbraw/zinc/34/83/00/633348300.db2.gz VXQHUSCAJCXRTE-KRWDZBQOSA-N 1 3 321.509 2.343 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001027062757 633384715 /nfs/dbraw/zinc/38/47/15/633384715.db2.gz BFPZXIBOXPKCLW-NVXWUHKLSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC001027063499 633385324 /nfs/dbraw/zinc/38/53/24/633385324.db2.gz MLFHMBOYSIZURY-CABCVRRESA-N 1 3 321.490 2.171 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2csc(C)c2)C1)N(C)C ZINC001027070070 633419574 /nfs/dbraw/zinc/41/95/74/633419574.db2.gz ITWYJZNMFMWEOI-ZBFHGGJFSA-N 1 3 323.506 2.335 20 0 DEADHO CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC000997072019 633566679 /nfs/dbraw/zinc/56/66/79/633566679.db2.gz KABBETQTSCACLY-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](CC2CC2)CC1 ZINC000997079099 633567449 /nfs/dbraw/zinc/56/74/49/633567449.db2.gz OGJWDMLTQJYENU-CRAIPNDOSA-N 1 3 321.509 2.486 20 0 DEADHO CC[C@H](C(=O)N1CCC(C[NH2+]Cc2ccccc2)CC1)N(C)C ZINC000997854448 634011923 /nfs/dbraw/zinc/01/19/23/634011923.db2.gz DYCUNZGYYYNJOA-GOSISDBHSA-N 1 3 317.477 2.355 20 0 DEADHO CCN(C(=O)[C@@H]1CCCN1C)[C@@H]1CCC[N@H+](CC(C)C)CC1 ZINC000997950792 634075656 /nfs/dbraw/zinc/07/56/56/634075656.db2.gz UJIRIXDYYHXNCK-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CCN(C(=O)[C@@H]1CCCN1C)[C@@H]1CCC[N@@H+](CC(C)C)CC1 ZINC000997950792 634075662 /nfs/dbraw/zinc/07/56/62/634075662.db2.gz UJIRIXDYYHXNCK-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([N@H+](C)CC3CCC3)C2)C1 ZINC001027576347 634183625 /nfs/dbraw/zinc/18/36/25/634183625.db2.gz NHWGXPRMOXFYCU-RDJZCZTQSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([N@@H+](C)CC3CCC3)C2)C1 ZINC001027576347 634183628 /nfs/dbraw/zinc/18/36/28/634183628.db2.gz NHWGXPRMOXFYCU-RDJZCZTQSA-N 1 3 307.482 2.051 20 0 DEADHO C[N@H+](CC1CC1)[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027577717 634187882 /nfs/dbraw/zinc/18/78/82/634187882.db2.gz RJQQHNYGOQUOJC-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO C[N@@H+](CC1CC1)[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027577717 634187885 /nfs/dbraw/zinc/18/78/85/634187885.db2.gz RJQQHNYGOQUOJC-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CC1 ZINC001027918686 634965164 /nfs/dbraw/zinc/96/51/64/634965164.db2.gz PEWFPGQHTWKWBU-IRXDYDNUSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1CC1 ZINC001027918686 634965168 /nfs/dbraw/zinc/96/51/68/634965168.db2.gz PEWFPGQHTWKWBU-IRXDYDNUSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H](c1ccccc1)[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406467 634989487 /nfs/dbraw/zinc/98/94/87/634989487.db2.gz PGNIGXSZJUYAFC-SJLPKXTDSA-N 1 3 315.461 2.376 20 0 DEADHO C[C@H](c1ccccc1)[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406467 634989489 /nfs/dbraw/zinc/98/94/89/634989489.db2.gz PGNIGXSZJUYAFC-SJLPKXTDSA-N 1 3 315.461 2.376 20 0 DEADHO C[C@@H]1C[C@@H](C[NH2+]CC2CCCC2)CN1C(=O)CN(C)C1CCC1 ZINC000980607593 635060840 /nfs/dbraw/zinc/06/08/40/635060840.db2.gz RYPXBMSDRDLGGO-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)(C)N1CC[C@](F)(C(=O)NC(C)(C)C[NH+]2CCCC2)C1 ZINC000837178441 650171559 /nfs/dbraw/zinc/17/15/59/650171559.db2.gz PZDWRSQAXLFBTK-QGZVFWFLSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000837189062 650172930 /nfs/dbraw/zinc/17/29/30/650172930.db2.gz HKFNDAVCNFLGJB-RHSMWYFYSA-N 1 3 313.461 2.140 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000837189062 650172932 /nfs/dbraw/zinc/17/29/32/650172932.db2.gz HKFNDAVCNFLGJB-RHSMWYFYSA-N 1 3 313.461 2.140 20 0 DEADHO C[C@@H]1C[C@H](C[NH2+]Cc2ccsc2)CN1C(=O)CN1CCCC1 ZINC000980799240 635155634 /nfs/dbraw/zinc/15/56/34/635155634.db2.gz FYQRBEQBJHSAIM-GDBMZVCRSA-N 1 3 321.490 2.171 20 0 DEADHO C[C@@H]1C[C@H](C[NH2+]CC2=CCCCC2)CN1C(=O)CN1CCCC1 ZINC000980802568 635159497 /nfs/dbraw/zinc/15/94/97/635159497.db2.gz ZUIXWMSCNCCEBF-SJLPKXTDSA-N 1 3 319.493 2.409 20 0 DEADHO CC(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC000981146795 635331571 /nfs/dbraw/zinc/33/15/71/635331571.db2.gz CUHCZTBNCWQVHC-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CC[N@H+]1CCCN(C(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC000981146795 635331576 /nfs/dbraw/zinc/33/15/76/635331576.db2.gz CUHCZTBNCWQVHC-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO O=C(CN1CCCC1)N1CCC[C@@H]([NH2+]Cc2ccccc2F)C1 ZINC001000920187 635350653 /nfs/dbraw/zinc/35/06/53/635350653.db2.gz PABQLQWCONLDOC-MRXNPFEDSA-N 1 3 319.424 2.002 20 0 DEADHO CC(C)[NH2+][C@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001000990145 635383597 /nfs/dbraw/zinc/38/35/97/635383597.db2.gz AGBCELCWJNNVQU-INIZCTEOSA-N 1 3 303.450 2.351 20 0 DEADHO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCCN(CC2CC2)CC1 ZINC000981330677 635437877 /nfs/dbraw/zinc/43/78/77/635437877.db2.gz GXCIYSASDGFZSV-GOSISDBHSA-N 1 3 319.493 2.338 20 0 DEADHO O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCCN(CC2CC2)CC1 ZINC000981330677 635437885 /nfs/dbraw/zinc/43/78/85/635437885.db2.gz GXCIYSASDGFZSV-GOSISDBHSA-N 1 3 319.493 2.338 20 0 DEADHO CC(C)[N@@H+]1CCCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000982009717 635808598 /nfs/dbraw/zinc/80/85/98/635808598.db2.gz YDTPBJHEUKOIMB-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[N@H+]1CCCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000982009717 635808601 /nfs/dbraw/zinc/80/86/01/635808601.db2.gz YDTPBJHEUKOIMB-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)=CC[N@H+]1CCCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC000982011423 635810019 /nfs/dbraw/zinc/81/00/19/635810019.db2.gz CFDPKPXDGWNYKN-QGZVFWFLSA-N 1 3 319.493 2.219 20 0 DEADHO CC(C)=CC[N@@H+]1CCCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC000982011423 635810024 /nfs/dbraw/zinc/81/00/24/635810024.db2.gz CFDPKPXDGWNYKN-QGZVFWFLSA-N 1 3 319.493 2.219 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CCC[N@H+](CCC2CC2)C3)C1 ZINC000982012528 635810056 /nfs/dbraw/zinc/81/00/56/635810056.db2.gz YRLBSRKQKKSEBZ-MRXNPFEDSA-N 1 3 319.493 2.053 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CCC[N@@H+](CCC2CC2)C3)C1 ZINC000982012528 635810064 /nfs/dbraw/zinc/81/00/64/635810064.db2.gz YRLBSRKQKKSEBZ-MRXNPFEDSA-N 1 3 319.493 2.053 20 0 DEADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000261539040 635886695 /nfs/dbraw/zinc/88/66/95/635886695.db2.gz BKRACTRHMPRPSU-VYDXJSESSA-N 1 3 303.450 2.011 20 0 DEADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3ccc(F)nc3)C2)[C@H]1C(C)C ZINC000922393455 636155617 /nfs/dbraw/zinc/15/56/17/636155617.db2.gz KSFGXZQQMLHWBV-AHCXZYCDSA-N 1 3 321.440 2.180 20 0 DEADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3ccc(F)nc3)C2)[C@H]1C(C)C ZINC000922393455 636155622 /nfs/dbraw/zinc/15/56/22/636155622.db2.gz KSFGXZQQMLHWBV-AHCXZYCDSA-N 1 3 321.440 2.180 20 0 DEADHO CCO[C@@H]1C[C@@H](NC[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1OC ZINC000894134649 636264264 /nfs/dbraw/zinc/26/42/64/636264264.db2.gz LUFCKXBZQZMFQB-NCXUSEDFSA-N 1 3 318.461 2.291 20 0 DEADHO CCO[C@@H]1C[C@@H](NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1OC ZINC000894134649 636264267 /nfs/dbraw/zinc/26/42/67/636264267.db2.gz LUFCKXBZQZMFQB-NCXUSEDFSA-N 1 3 318.461 2.291 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+]Cc2nccc3ccccc32)CC1 ZINC000894176730 636392720 /nfs/dbraw/zinc/39/27/20/636392720.db2.gz UZVOUDHBIMNJEZ-MRXNPFEDSA-N 1 3 312.461 2.350 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001004586166 636494971 /nfs/dbraw/zinc/49/49/71/636494971.db2.gz QFPSLZSETSASFN-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001004586166 636494973 /nfs/dbraw/zinc/49/49/73/636494973.db2.gz QFPSLZSETSASFN-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(OC)ccn2)CC1 ZINC000924951440 636643259 /nfs/dbraw/zinc/64/32/59/636643259.db2.gz MATNRDZAXQCKLV-JKSUJKDBSA-N 1 3 320.481 2.014 20 0 DEADHO CN(C(=O)[C@H]1CCCN1C)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001005182049 636684902 /nfs/dbraw/zinc/68/49/02/636684902.db2.gz CILKPIBYJJLKJL-QGZVFWFLSA-N 1 3 321.509 2.440 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC001028919193 636850769 /nfs/dbraw/zinc/85/07/69/636850769.db2.gz SCXMJFGTEWILMO-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC001028919193 636850775 /nfs/dbraw/zinc/85/07/75/636850775.db2.gz SCXMJFGTEWILMO-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO COCCOc1ccc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)o1 ZINC000894479893 637063593 /nfs/dbraw/zinc/06/35/93/637063593.db2.gz VAPIBPQCVZVTMD-INIZCTEOSA-N 1 3 322.449 2.469 20 0 DEADHO CN(C[C@H](O)CO[C@H]1CCCc2ccccc21)CC(C)(C)C[NH3+] ZINC000923295194 637096984 /nfs/dbraw/zinc/09/69/84/637096984.db2.gz WHCFDLYCPYRWOR-WMZOPIPTSA-N 1 3 320.477 2.358 20 0 DEADHO C[C@@H]1CCCN(C[C@@H](O)COc2ccc(F)cc2)[C@@H]1CC[NH3+] ZINC000923385365 637154258 /nfs/dbraw/zinc/15/42/58/637154258.db2.gz AIFLOIBZUZIOGA-FRFSOERESA-N 1 3 310.413 2.015 20 0 DEADHO Fc1cccc(OC2CCN(C[C@H]3CC4(C[NH2+]C4)CO3)CC2)c1 ZINC000923400003 637159785 /nfs/dbraw/zinc/15/97/85/637159785.db2.gz VTKROPWKJBBQKA-QGZVFWFLSA-N 1 3 320.408 2.047 20 0 DEADHO Cc1ccccc1OC[C@H](O)CN1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000923414960 637167662 /nfs/dbraw/zinc/16/76/62/637167662.db2.gz NZVYORWURSCLRV-APWZRJJASA-N 1 3 320.477 2.432 20 0 DEADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000923420110 637175017 /nfs/dbraw/zinc/17/50/17/637175017.db2.gz GBMZUYAPBSOSIC-MCIONIFRSA-N 1 3 316.367 2.324 20 0 DEADHO [NH3+]CC[C@@H]1CCN(C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000923480009 637202569 /nfs/dbraw/zinc/20/25/69/637202569.db2.gz TYVJZVSWDIOHQX-RISCZKNCSA-N 1 3 302.340 2.410 20 0 DEADHO C[C@H]1CCc2ccccc2N1C(=O)CN1CC[C@H](CC[NH3+])C1 ZINC000923489003 637208681 /nfs/dbraw/zinc/20/86/81/637208681.db2.gz VSHMVRMPVKXXMM-GJZGRUSLSA-N 1 3 301.434 2.025 20 0 DEADHO Cc1ccc([C@@H](C)NC(=O)CN2CC[C@@H](CC[NH3+])C2)cc1C ZINC000923489620 637208756 /nfs/dbraw/zinc/20/87/56/637208756.db2.gz PYCLCJBARSTFBK-HZPDHXFCSA-N 1 3 303.450 2.151 20 0 DEADHO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923497665 637213901 /nfs/dbraw/zinc/21/39/01/637213901.db2.gz IJKZLBCTHQSUDK-QAETUUGQSA-N 1 3 317.477 2.477 20 0 DEADHO C[C@@H]1CN([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC[C@@H]1C[NH3+] ZINC000923497938 637215014 /nfs/dbraw/zinc/21/50/14/637215014.db2.gz NLFPRRUWIQWTOP-XJKCOSOUSA-N 1 3 321.852 2.362 20 0 DEADHO CCc1ccccc1NC(=O)[C@H](C)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923501275 637219001 /nfs/dbraw/zinc/21/90/01/637219001.db2.gz YYZYFTGMKNZCOU-OFQRWUPVSA-N 1 3 303.450 2.493 20 0 DEADHO CC(C)N(C)C(=O)[C@H](C)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923506521 637220756 /nfs/dbraw/zinc/22/07/56/637220756.db2.gz XPKVPEIALKILRT-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CC1CCN(CC(=O)N(C)C2CC[NH+](CCCF)CC2)CC1 ZINC001006179087 637268206 /nfs/dbraw/zinc/26/82/06/637268206.db2.gz ABYDYKMKBLDVHP-UHFFFAOYSA-N 1 3 313.461 2.001 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C ZINC001029330027 637610909 /nfs/dbraw/zinc/61/09/09/637610909.db2.gz REBXRSCDQRHQKM-BBWFWOEESA-N 1 3 307.482 2.192 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C ZINC001029330027 637610913 /nfs/dbraw/zinc/61/09/13/637610913.db2.gz REBXRSCDQRHQKM-BBWFWOEESA-N 1 3 307.482 2.192 20 0 DEADHO O=C(N1C[C@H]2CC[C@@H](C1)N2CC1CCC1)C12CCC[NH+]1CCC2 ZINC001029378593 637687642 /nfs/dbraw/zinc/68/76/42/637687642.db2.gz SAECWPCQVZSMTA-CALCHBBNSA-N 1 3 317.477 2.090 20 0 DEADHO C[C@@H](NCCC(=O)N1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000838930032 637719916 /nfs/dbraw/zinc/71/99/16/637719916.db2.gz QBHAROSPYXNKSQ-CVEARBPZSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H](NCCC(=O)N1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000838930032 637719921 /nfs/dbraw/zinc/71/99/21/637719921.db2.gz QBHAROSPYXNKSQ-CVEARBPZSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000895628070 638121742 /nfs/dbraw/zinc/12/17/42/638121742.db2.gz WGOUGJVVJBEWEM-MRXNPFEDSA-N 1 3 322.497 2.175 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]CCCNC2CC2)C1 ZINC000841091465 650428622 /nfs/dbraw/zinc/42/86/22/650428622.db2.gz YHPRRINTWLFAKA-TZMCWYRMSA-N 1 3 318.408 2.475 20 0 DEADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CC3CCCC3)C2)C1 ZINC000984802570 638695042 /nfs/dbraw/zinc/69/50/42/638695042.db2.gz BTSHZQXVJZJGHJ-QAQDUYKDSA-N 1 3 321.509 2.393 20 0 DEADHO CCc1cnc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)s1 ZINC000925165547 639502930 /nfs/dbraw/zinc/50/29/30/639502930.db2.gz SKIGWVBMPJXACO-GOOCMWNKSA-N 1 3 323.506 2.479 20 0 DEADHO CCc1cnc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)s1 ZINC000925165547 639502931 /nfs/dbraw/zinc/50/29/31/639502931.db2.gz SKIGWVBMPJXACO-GOOCMWNKSA-N 1 3 323.506 2.479 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC([N@H+](C)CC3CCC3)CC2)C1 ZINC000985649196 639562881 /nfs/dbraw/zinc/56/28/81/639562881.db2.gz BPHGCHQTUVGIPH-HNNXBMFYSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC([N@@H+](C)CC3CCC3)CC2)C1 ZINC000985649196 639562882 /nfs/dbraw/zinc/56/28/82/639562882.db2.gz BPHGCHQTUVGIPH-HNNXBMFYSA-N 1 3 307.482 2.051 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN[C@H](C)c2ccc(C)s2)CC1 ZINC000839553555 639749694 /nfs/dbraw/zinc/74/96/94/639749694.db2.gz QSTFNSJBZYITGG-CYBMUJFWSA-N 1 3 309.479 2.308 20 0 DEADHO c1ccn2c(c1)nnc2CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000321032221 639894752 /nfs/dbraw/zinc/89/47/52/639894752.db2.gz XDFNAKSYVRCMMV-ARFHVFGLSA-N 1 3 313.449 2.172 20 0 DEADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H]2C)cc1 ZINC000987065126 640071438 /nfs/dbraw/zinc/07/14/38/640071438.db2.gz HXLVAKVEIOCTSC-RHSMWYFYSA-N 1 3 312.417 2.040 20 0 DEADHO CC(C)[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@@H]1C ZINC000987569093 640225119 /nfs/dbraw/zinc/22/51/19/640225119.db2.gz VLXSBQDKJGUNFF-RHSMWYFYSA-N 1 3 303.450 2.349 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc(Cl)n1 ZINC000841847101 650577854 /nfs/dbraw/zinc/57/78/54/650577854.db2.gz ZGYOPLQFBXVBLK-IACUBPJLSA-N 1 3 324.856 2.162 20 0 DEADHO O=C(CCCC[NH+]1CCCC1)N1CCN(C2CCCC2)CC1 ZINC000729313311 640439002 /nfs/dbraw/zinc/43/90/02/640439002.db2.gz UUNPYXWRHLCCOW-UHFFFAOYSA-N 1 3 307.482 2.339 20 0 DEADHO CCCN(C(=O)C[C@@H](N)c1cc(C)nc(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000841848039 650578741 /nfs/dbraw/zinc/57/87/41/650578741.db2.gz RLIISZILKSZRPW-ZIAGYGMSSA-N 1 3 324.856 2.034 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N[C@@H](C[NH3+])C2CCCC2)cc(Cl)n1 ZINC000841858006 650582430 /nfs/dbraw/zinc/58/24/30/650582430.db2.gz XYDCTKCAVXIFPP-KGLIPLIRSA-N 1 3 324.856 2.067 20 0 DEADHO COCOc1ccc(OC)cc1C[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000766473432 640886240 /nfs/dbraw/zinc/88/62/40/640886240.db2.gz IMRWEQBTUHXKHK-DZGCQCFKSA-N 1 3 308.422 2.250 20 0 DEADHO CCCN1CCN(c2ccccc2C[N@@H+]2C[C@H](C)[C@H](O)C2)CC1 ZINC000897679997 640900339 /nfs/dbraw/zinc/90/03/39/640900339.db2.gz DQMJTTKFCPKMSQ-QFBILLFUSA-N 1 3 317.477 2.031 20 0 DEADHO CCCN1CCN(c2ccccc2C[N@H+]2C[C@H](C)[C@H](O)C2)CC1 ZINC000897679997 640900344 /nfs/dbraw/zinc/90/03/44/640900344.db2.gz DQMJTTKFCPKMSQ-QFBILLFUSA-N 1 3 317.477 2.031 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CCC2CCCC2)CN1C(=O)Cc1c[nH]cn1 ZINC000989490756 641122857 /nfs/dbraw/zinc/12/28/57/641122857.db2.gz ACIZKCYPNXCQBY-CZUORRHYSA-N 1 3 304.438 2.112 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000768956094 641148957 /nfs/dbraw/zinc/14/89/57/641148957.db2.gz IMDCZMDIPHGUCC-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000768956094 641148961 /nfs/dbraw/zinc/14/89/61/641148961.db2.gz IMDCZMDIPHGUCC-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CC2CCCC2)CN1C(=O)CN1CCC(C)CC1 ZINC000989606479 641167870 /nfs/dbraw/zinc/16/78/70/641167870.db2.gz RNVMGSHFWWHRHE-WMZOPIPTSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1cc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)cs1 ZINC000989801089 641229484 /nfs/dbraw/zinc/22/94/84/641229484.db2.gz YBZRWYQFQUNNAM-XJKSGUPXSA-N 1 3 321.490 2.231 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC000989795954 641234840 /nfs/dbraw/zinc/23/48/40/641234840.db2.gz FAIMUHATNGYICA-AEFFLSMTSA-N 1 3 315.461 2.170 20 0 DEADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000775307363 642027088 /nfs/dbraw/zinc/02/70/88/642027088.db2.gz IOPVOLZHPXZXRC-INIZCTEOSA-N 1 3 315.461 2.417 20 0 DEADHO O[C@H](CNC1CC(Sc2ccccc2)C1)C[NH+]1CCCC1 ZINC000924756035 642064943 /nfs/dbraw/zinc/06/49/43/642064943.db2.gz KIVBSKKCXQMMJD-ISXOHVOVSA-N 1 3 306.475 2.356 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC(CC)([NH+]2CCC2)CC1 ZINC000899562614 642104728 /nfs/dbraw/zinc/10/47/28/642104728.db2.gz ZOXSUYCIJXOZHS-MRXNPFEDSA-N 1 3 307.482 2.338 20 0 DEADHO CC[NH+](CC)CCNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000899904076 642207194 /nfs/dbraw/zinc/20/71/94/642207194.db2.gz FITJCWKYFCBBPN-UHFFFAOYSA-N 1 3 302.422 2.362 20 0 DEADHO C[NH2+][C@H](C)Cc1noc(-c2ccc(CN3CCCCC3)o2)n1 ZINC000900008727 642235617 /nfs/dbraw/zinc/23/56/17/642235617.db2.gz ACHOSAIGVJXHDO-GFCCVEGCSA-N 1 3 304.394 2.466 20 0 DEADHO CC1(C)C[NH2+]CC[C@@H](N[C@H]2CCN(c3ncccc3F)C2)C1 ZINC000902345868 643002465 /nfs/dbraw/zinc/00/24/65/643002465.db2.gz MVEUESLCIWJRPL-KGLIPLIRSA-N 1 3 306.429 2.167 20 0 DEADHO COc1cc(OC)cc([C@@H](O)CN[C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902331045 643007602 /nfs/dbraw/zinc/00/76/02/643007602.db2.gz SAPVAJBVBRPKSJ-PBHICJAKSA-N 1 3 322.449 2.105 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@H](NC[C@@H]2CCCCC[NH2+]2)C1 ZINC000902485090 643057865 /nfs/dbraw/zinc/05/78/65/643057865.db2.gz YVJSLKALUHGUSR-RDBSUJKOSA-N 1 3 318.408 2.475 20 0 DEADHO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000903107095 643251034 /nfs/dbraw/zinc/25/10/34/643251034.db2.gz LNUIGEJLLHUSPU-RBUKOAKNSA-N 1 3 318.461 2.300 20 0 DEADHO C(C1CC1)N1CCC([NH2+][C@@H]2CCCN3CCSC[C@@H]23)CC1 ZINC000903270101 643306176 /nfs/dbraw/zinc/30/61/76/643306176.db2.gz BMEKZHAOCFNIJO-SJORKVTESA-N 1 3 309.523 2.030 20 0 DEADHO Cc1cccc(OCCN(C)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)c1 ZINC000903718574 643438052 /nfs/dbraw/zinc/43/80/52/643438052.db2.gz PCEPUHZLVPHTMY-ZWKOTPCHSA-N 1 3 304.434 2.074 20 0 DEADHO CC(C)[C@H]1CCCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903896202 643498294 /nfs/dbraw/zinc/49/82/94/643498294.db2.gz TZJGYQMCFIKYGF-HOTGVXAUSA-N 1 3 305.470 2.461 20 0 DEADHO CC(C)[C@@H]1CCCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903896201 643498549 /nfs/dbraw/zinc/49/85/49/643498549.db2.gz TZJGYQMCFIKYGF-CVEARBPZSA-N 1 3 305.470 2.461 20 0 DEADHO CCc1noc(-c2ccc(CCNC[C@H]([NH3+])CC(F)F)cc2)n1 ZINC000903923536 643509256 /nfs/dbraw/zinc/50/92/56/643509256.db2.gz WMKIAJKCSHYXIZ-CYBMUJFWSA-N 1 3 324.375 2.414 20 0 DEADHO CC(C)(C)[C@H]1CCCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903918082 643517555 /nfs/dbraw/zinc/51/75/55/643517555.db2.gz ROIXXBUZFSANEL-GJZGRUSLSA-N 1 3 305.470 2.461 20 0 DEADHO FC1(F)CC[NH2+]C[C@H]1CNCc1cc(-n2ccnc2)cs1 ZINC000903955725 643529211 /nfs/dbraw/zinc/52/92/11/643529211.db2.gz ASPNLTZJNBSFOW-NSHDSACASA-N 1 3 312.389 2.268 20 0 DEADHO Cc1cccc(NC(=O)C[C@@H](C)NC[C@@H]2C[NH2+]C[C@H]2C)c1C ZINC000903966821 643536845 /nfs/dbraw/zinc/53/68/45/643536845.db2.gz CNXUNQHMNSCBQP-FMKPAKJESA-N 1 3 303.450 2.466 20 0 DEADHO CCc1ccccc1NC(=O)C[C@@H](C)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903967733 643537804 /nfs/dbraw/zinc/53/78/04/643537804.db2.gz MNNGBMIVTFTNNQ-FMKPAKJESA-N 1 3 303.450 2.411 20 0 DEADHO CC(C)(C)CC[C@@H]([NH3+])CN1CCC(C)(N2CCOCC2)CC1 ZINC000904379639 643654907 /nfs/dbraw/zinc/65/49/07/643654907.db2.gz ANLIZJHQUALPKG-MRXNPFEDSA-N 1 3 311.514 2.327 20 0 DEADHO COC(=O)c1ccc(C[NH2+]C[C@H]2CNCCC2(F)F)cc1C ZINC000904385790 643657140 /nfs/dbraw/zinc/65/71/40/643657140.db2.gz GCOGIAFOQLEIIR-CYBMUJFWSA-N 1 3 312.360 2.116 20 0 DEADHO COCCn1cc(CN2CCC([C@H]3CCC[NH2+]CC3)CC2)cn1 ZINC000904415852 643663867 /nfs/dbraw/zinc/66/38/67/643663867.db2.gz CCKZMIOQBWUUJD-KRWDZBQOSA-N 1 3 320.481 2.131 20 0 DEADHO Cc1nn(C)c2ncc(CN3CCC(C(C)(C)C[NH3+])CC3)cc12 ZINC000904444057 643672961 /nfs/dbraw/zinc/67/29/61/643672961.db2.gz NWXXPTHOBCYQNH-UHFFFAOYSA-N 1 3 315.465 2.474 20 0 DEADHO C[C@@](O)(CNC[C@@H]1CC[N@@H+](C2CC2)C1)C(F)(F)C(F)(F)F ZINC000905058058 643782913 /nfs/dbraw/zinc/78/29/13/643782913.db2.gz CFCIMQADFDCSAZ-GXSJLCMTSA-N 1 3 316.314 2.009 20 0 DEADHO C[C@@](O)(CNC[C@@H]1CC[N@H+](C2CC2)C1)C(F)(F)C(F)(F)F ZINC000905058058 643782915 /nfs/dbraw/zinc/78/29/15/643782915.db2.gz CFCIMQADFDCSAZ-GXSJLCMTSA-N 1 3 316.314 2.009 20 0 DEADHO C[C@@](O)(C[NH2+]C[C@@H]1CCN(C2CC2)C1)C(F)(F)C(F)(F)F ZINC000905058058 643782918 /nfs/dbraw/zinc/78/29/18/643782918.db2.gz CFCIMQADFDCSAZ-GXSJLCMTSA-N 1 3 316.314 2.009 20 0 DEADHO CC(C)(C[NH2+]C[C@H](O)CC1(CO)CCCC1)CN1CCCC1 ZINC000905234235 643845761 /nfs/dbraw/zinc/84/57/61/643845761.db2.gz YFJUXUYTBGWSQU-MRXNPFEDSA-N 1 3 312.498 2.002 20 0 DEADHO CC(C)(CNC[C@H](O)CC1(CO)CCCC1)C[NH+]1CCCC1 ZINC000905234235 643845763 /nfs/dbraw/zinc/84/57/63/643845763.db2.gz YFJUXUYTBGWSQU-MRXNPFEDSA-N 1 3 312.498 2.002 20 0 DEADHO CN1c2ccc(CN3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cc2CCC1=O ZINC000843059910 650880864 /nfs/dbraw/zinc/88/08/64/650880864.db2.gz UNIFKCDHHDVUAM-YESZJQIVSA-N 1 3 313.445 2.155 20 0 DEADHO CCCCCCNC(=O)[C@@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000843060709 650880936 /nfs/dbraw/zinc/88/09/36/650880936.db2.gz MBLMZAXJPDBLLD-IAGOWNOFSA-N 1 3 309.498 2.395 20 0 DEADHO CN1CC[C@H]([NH2+]C2CCN(C[C@@H]3CCCO3)CC2)[C@@H]2CCC[C@@H]21 ZINC000796765077 644789853 /nfs/dbraw/zinc/78/98/53/644789853.db2.gz WCNSVPMNSWSAHY-VJANTYMQSA-N 1 3 321.509 2.092 20 0 DEADHO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000908345335 644827309 /nfs/dbraw/zinc/82/73/09/644827309.db2.gz BSKVTWRZERUQHC-HOCLYGCPSA-N 1 3 312.417 2.067 20 0 DEADHO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000908345335 644827314 /nfs/dbraw/zinc/82/73/14/644827314.db2.gz BSKVTWRZERUQHC-HOCLYGCPSA-N 1 3 312.417 2.067 20 0 DEADHO CN(CCCS(=O)(=O)c1ccccc1)C1CCC([NH3+])CC1 ZINC000843355770 650956458 /nfs/dbraw/zinc/95/64/58/650956458.db2.gz WTGHAPCYFQNTIA-UHFFFAOYSA-N 1 3 310.463 2.052 20 0 DEADHO Cc1cc(=O)oc2cc(OCCN3C[C@H](C[NH3+])C[C@@H]3C)ccc12 ZINC000843362455 650957673 /nfs/dbraw/zinc/95/76/73/650957673.db2.gz HNXMDHXQEKCLAC-KBPBESRZSA-N 1 3 316.401 2.149 20 0 DEADHO COC(=O)c1cc(CN2CCCC3(CC[NH+](C)CC3)C2)c[nH]1 ZINC000798957028 645103120 /nfs/dbraw/zinc/10/31/20/645103120.db2.gz JBPCLEUMKQYAMY-UHFFFAOYSA-N 1 3 305.422 2.109 20 0 DEADHO CCCN(C)CC(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000799014874 645109008 /nfs/dbraw/zinc/10/90/08/645109008.db2.gz KNSQLHXZRLGKFS-IBGZPJMESA-N 1 3 317.477 2.357 20 0 DEADHO CCCN(C)CC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000799014874 645109011 /nfs/dbraw/zinc/10/90/11/645109011.db2.gz KNSQLHXZRLGKFS-IBGZPJMESA-N 1 3 317.477 2.357 20 0 DEADHO CC(C)(C)[NH2+]CCC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000323734479 645366483 /nfs/dbraw/zinc/36/64/83/645366483.db2.gz OBSGGXPKQWNLFB-UHFFFAOYSA-N 1 3 317.477 2.499 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000811599428 646549574 /nfs/dbraw/zinc/54/95/74/646549574.db2.gz PRXKKUUPTZLARI-PBHICJAKSA-N 1 3 315.477 2.436 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000811599428 646549576 /nfs/dbraw/zinc/54/95/76/646549576.db2.gz PRXKKUUPTZLARI-PBHICJAKSA-N 1 3 315.477 2.436 20 0 DEADHO CC(C)N1CCC[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000813520267 646781730 /nfs/dbraw/zinc/78/17/30/646781730.db2.gz FNFMVNBYJVKKOV-RHSMWYFYSA-N 1 3 313.461 2.188 20 0 DEADHO CC(C)N1CCC[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000813520267 646781733 /nfs/dbraw/zinc/78/17/33/646781733.db2.gz FNFMVNBYJVKKOV-RHSMWYFYSA-N 1 3 313.461 2.188 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]C[C@@H](C)CN(C)C)C1 ZINC000813877047 646818798 /nfs/dbraw/zinc/81/87/98/646818798.db2.gz JEFBBKBEOKHRIE-UPJWGTAASA-N 1 3 306.397 2.141 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)CCN1C ZINC000914077615 647147107 /nfs/dbraw/zinc/14/71/07/647147107.db2.gz SAXCHEMKEZESOP-ZBFHGGJFSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)CCN1C ZINC000914077615 647147111 /nfs/dbraw/zinc/14/71/11/647147111.db2.gz SAXCHEMKEZESOP-ZBFHGGJFSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000817892956 647374198 /nfs/dbraw/zinc/37/41/98/647374198.db2.gz AGFNMXCDYKWZDM-XDKFSHSGSA-N 1 3 320.477 2.359 20 0 DEADHO C[C@H](CC(=O)Nc1cccnc1Cl)NC[C@@H]1CCC[NH2+]C1 ZINC000817945509 647390340 /nfs/dbraw/zinc/39/03/40/647390340.db2.gz FFNIANHOVDBIMQ-VXGBXAGGSA-N 1 3 310.829 2.041 20 0 DEADHO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H]1CCCCNC1 ZINC000817984388 647400514 /nfs/dbraw/zinc/40/05/14/647400514.db2.gz RXVSFHPCJNPNOM-NEPJUHHUSA-N 1 3 310.829 2.184 20 0 DEADHO Cc1ccccc1[C@@H](O)C[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000819085414 647580417 /nfs/dbraw/zinc/58/04/17/647580417.db2.gz UZHTXHOJPHSPBC-APWZRJJASA-N 1 3 318.461 2.119 20 0 DEADHO Cc1nc(CN2CCC(C[NH2+][C@H]3CCCN[C@@H]3C)CC2)oc1C ZINC000925479512 648223031 /nfs/dbraw/zinc/22/30/31/648223031.db2.gz RQZJOUDMYTUOGH-PBHICJAKSA-N 1 3 320.481 2.234 20 0 DEADHO C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824584978 648618282 /nfs/dbraw/zinc/61/82/82/648618282.db2.gz KTETXJURZOBBIB-CYBMUJFWSA-N 1 3 314.437 2.249 20 0 DEADHO C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824584978 648618287 /nfs/dbraw/zinc/61/82/87/648618287.db2.gz KTETXJURZOBBIB-CYBMUJFWSA-N 1 3 314.437 2.249 20 0 DEADHO CC(C)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001389347759 1155315884 /nfs/dbraw/zinc/31/58/84/1155315884.db2.gz OIZHNVNZWBLVDB-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO c1ccc2c(c1)n[nH]c2CNC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000733330987 649546024 /nfs/dbraw/zinc/54/60/24/649546024.db2.gz WMMXJBBBJBRLEC-HNNXBMFYSA-N 1 3 314.433 2.296 20 0 DEADHO CCCCCCN(C)CC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000834588798 649820116 /nfs/dbraw/zinc/82/01/16/649820116.db2.gz GXBROPIYOPKYEG-UHFFFAOYSA-N 1 3 303.450 2.418 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000847295470 651386878 /nfs/dbraw/zinc/38/68/78/651386878.db2.gz UHWQMVRZMXQXEZ-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO COC1CCN(C2(CNC(=[NH2+])NCC(C)C)CCCC2)CC1 ZINC000849006354 651579685 /nfs/dbraw/zinc/57/96/85/651579685.db2.gz AUAYUKCMOFPKAJ-UHFFFAOYSA-N 1 3 310.486 2.180 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@](C)(OC)c1ccccc1 ZINC000849035536 651590672 /nfs/dbraw/zinc/59/06/72/651590672.db2.gz MZDNATWJDRZHFS-AEFFLSMTSA-N 1 3 318.465 2.146 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000849037128 651590829 /nfs/dbraw/zinc/59/08/29/651590829.db2.gz PJYLUEDZUHWDLQ-BZUAXINKSA-N 1 3 310.486 2.036 20 0 DEADHO C[C@H](O)c1ncc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000849350782 651655881 /nfs/dbraw/zinc/65/58/81/651655881.db2.gz WDOQBMHVSMYJOZ-GXTWGEPZSA-N 1 3 309.479 2.408 20 0 DEADHO COc1cncc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000850144745 651841798 /nfs/dbraw/zinc/84/17/98/651841798.db2.gz LMUFDJQVHMJXAQ-GASCZTMLSA-N 1 3 307.438 2.069 20 0 DEADHO CN1CC[C@H]([NH2+]C[C@]23OCCC[C@H]2C3(F)F)[C@@H]2CCC[C@H]21 ZINC000850532987 651948133 /nfs/dbraw/zinc/94/81/33/651948133.db2.gz QSEAYLLSEHWWRE-AHDPXTMNSA-N 1 3 300.393 2.263 20 0 DEADHO C[N@@H+]1CC[C@H](NC[C@]23OCCC[C@H]2C3(F)F)[C@@H]2CCC[C@H]21 ZINC000850532987 651948138 /nfs/dbraw/zinc/94/81/38/651948138.db2.gz QSEAYLLSEHWWRE-AHDPXTMNSA-N 1 3 300.393 2.263 20 0 DEADHO C[N@H+]1CC[C@H](NC[C@]23OCCC[C@H]2C3(F)F)[C@@H]2CCC[C@H]21 ZINC000850532987 651948141 /nfs/dbraw/zinc/94/81/41/651948141.db2.gz QSEAYLLSEHWWRE-AHDPXTMNSA-N 1 3 300.393 2.263 20 0 DEADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H](C)CO)C2)ccn1 ZINC000856604234 651957495 /nfs/dbraw/zinc/95/74/95/651957495.db2.gz UUCKYCMLULVWHL-CRAIPNDOSA-N 1 3 321.465 2.003 20 0 DEADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H](C)CO)C2)ccn1 ZINC000856604234 651957499 /nfs/dbraw/zinc/95/74/99/651957499.db2.gz UUCKYCMLULVWHL-CRAIPNDOSA-N 1 3 321.465 2.003 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCc3cn[nH]c32)C[C@H](C)O1 ZINC000857860272 652189428 /nfs/dbraw/zinc/18/94/28/652189428.db2.gz TUQJDBAIUJOVEM-LZWOXQAQSA-N 1 3 306.454 2.266 20 0 DEADHO C[NH2+]C[C@@H](C)N[C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000854233245 652662894 /nfs/dbraw/zinc/66/28/94/652662894.db2.gz YEPKKDVHRGYFFQ-CABCVRRESA-N 1 3 305.422 2.237 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001374281412 1157800758 /nfs/dbraw/zinc/80/07/58/1157800758.db2.gz OEHHDECLBQMGHQ-ZBFHGGJFSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC2CCC2)CC1)N(C)C ZINC001393605182 1157878701 /nfs/dbraw/zinc/87/87/01/1157878701.db2.gz YYFYTCJTERLEDN-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)CC1)N(C)C ZINC001393605182 1157878702 /nfs/dbraw/zinc/87/87/02/1157878702.db2.gz YYFYTCJTERLEDN-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO Cc1cccc(C[N@@H+](C)C[C@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001375162059 1158364251 /nfs/dbraw/zinc/36/42/51/1158364251.db2.gz XKPARYMOXVQISF-INIZCTEOSA-N 1 3 305.466 2.272 20 0 DEADHO Cc1cccc(C[N@H+](C)C[C@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001375162059 1158364261 /nfs/dbraw/zinc/36/42/61/1158364261.db2.gz XKPARYMOXVQISF-INIZCTEOSA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@@H](F)CN1CCCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001394217082 1158378502 /nfs/dbraw/zinc/37/85/02/1158378502.db2.gz RKAGLQFJIJCFHC-CABCVRRESA-N 1 3 301.450 2.047 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@@H](N)CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379660525 685393190 /nfs/dbraw/zinc/39/31/90/685393190.db2.gz ABBDGHCKZLFFNY-JLSDUUJJSA-N 1 3 315.461 2.283 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@@H](N)CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000379660525 685393196 /nfs/dbraw/zinc/39/31/96/685393196.db2.gz ABBDGHCKZLFFNY-JLSDUUJJSA-N 1 3 315.461 2.283 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CCCCC[NH3+] ZINC000389897215 685436937 /nfs/dbraw/zinc/43/69/37/685436937.db2.gz ZYQVUMHDEPPMMD-DOTOQJQBSA-N 1 3 303.450 2.142 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCN(CCOc2cccc(Br)c2)C1 ZINC000127193917 684160928 /nfs/dbraw/zinc/16/09/28/684160928.db2.gz ISCWZDQGTHOJHK-NWDGAFQWSA-N 1 3 313.239 2.497 20 0 DEADHO CC(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054145809 693861798 /nfs/dbraw/zinc/86/17/98/693861798.db2.gz XPLKYBZSOLYQBT-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054145809 693861802 /nfs/dbraw/zinc/86/18/02/693861802.db2.gz XPLKYBZSOLYQBT-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@]2(CC[N@@H+](C(C)C)C2)C1)N(C)C ZINC001054191868 693875775 /nfs/dbraw/zinc/87/57/75/693875775.db2.gz NYBIFTKPYXBAES-SJLPKXTDSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@]2(CC[N@H+](C(C)C)C2)C1)N(C)C ZINC001054191868 693875777 /nfs/dbraw/zinc/87/57/77/693875777.db2.gz NYBIFTKPYXBAES-SJLPKXTDSA-N 1 3 309.498 2.296 20 0 DEADHO CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001054195648 693878241 /nfs/dbraw/zinc/87/82/41/693878241.db2.gz AOBWUEPIKFMOCM-IBGZPJMESA-N 1 3 321.509 2.443 20 0 DEADHO CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001054195648 693878244 /nfs/dbraw/zinc/87/82/44/693878244.db2.gz AOBWUEPIKFMOCM-IBGZPJMESA-N 1 3 321.509 2.443 20 0 DEADHO C[C@H]([NH3+])CN(C)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000861581349 686149382 /nfs/dbraw/zinc/14/93/82/686149382.db2.gz NLFNYNDRINBHMH-DOTOQJQBSA-N 1 3 318.465 2.202 20 0 DEADHO CCN(C(=O)c1ccc(CC[NH+](C)C)cc1)C1CCN(C)CC1 ZINC000861890774 686200630 /nfs/dbraw/zinc/20/06/30/686200630.db2.gz MSWPCODAQBNTKW-UHFFFAOYSA-N 1 3 317.477 2.347 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC1=CCCCC1 ZINC001054735577 694035230 /nfs/dbraw/zinc/03/52/30/694035230.db2.gz HFHHIPWSQWMSIS-MAUKXSAKSA-N 1 3 319.493 2.408 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]Cc1ccsc1 ZINC001054741657 694037263 /nfs/dbraw/zinc/03/72/63/694037263.db2.gz ZPUNHEXGKRALIO-BBRMVZONSA-N 1 3 321.490 2.169 20 0 DEADHO CN(C)CC[NH+]1CCC(N[C@@H]2c3ccccc3OC[C@H]2F)CC1 ZINC000866227093 687500044 /nfs/dbraw/zinc/50/00/44/687500044.db2.gz ACECJDXBCNDSAR-SJLPKXTDSA-N 1 3 321.440 2.074 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[N@H+](CC3CCC3)C2)c1 ZINC001016322813 687591820 /nfs/dbraw/zinc/59/18/20/687591820.db2.gz LTXQMNQVVILDKB-GOSISDBHSA-N 1 3 315.461 2.352 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](CC3CCC3)C2)c1 ZINC001016322813 687591825 /nfs/dbraw/zinc/59/18/25/687591825.db2.gz LTXQMNQVVILDKB-GOSISDBHSA-N 1 3 315.461 2.352 20 0 DEADHO Fc1ccc(N2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)c(F)c1 ZINC000866702687 687658479 /nfs/dbraw/zinc/65/84/79/687658479.db2.gz FKNYJAQDXVMDQY-AWEZNQCLSA-N 1 3 309.404 2.477 20 0 DEADHO CC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001016621733 687667038 /nfs/dbraw/zinc/66/70/38/687667038.db2.gz RKAJOHRKSWQRCG-OAHLLOKOSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001016830090 687711800 /nfs/dbraw/zinc/71/18/00/687711800.db2.gz PNMPMWPOOFPWAY-WBVHZDCISA-N 1 3 319.493 2.242 20 0 DEADHO CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001017550161 687910191 /nfs/dbraw/zinc/91/01/91/687910191.db2.gz SFXYZGBIMHPVPO-XLAORIBOSA-N 1 3 319.493 2.192 20 0 DEADHO CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001017550161 687910196 /nfs/dbraw/zinc/91/01/96/687910196.db2.gz SFXYZGBIMHPVPO-XLAORIBOSA-N 1 3 319.493 2.192 20 0 DEADHO CC[C@@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[C@@H](C)C1 ZINC001017942919 688006582 /nfs/dbraw/zinc/00/65/82/688006582.db2.gz VMQQEZZESJWRPZ-VQHPVUNQSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[C@@H](C)C1 ZINC001017942919 688006587 /nfs/dbraw/zinc/00/65/87/688006587.db2.gz VMQQEZZESJWRPZ-VQHPVUNQSA-N 1 3 307.482 2.050 20 0 DEADHO CN(CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2)C1)C1CCC1 ZINC001018971893 688264069 /nfs/dbraw/zinc/26/40/69/688264069.db2.gz YYEBNQITFPXJLH-INIZCTEOSA-N 1 3 319.424 2.001 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCc3ccccc32)C1)N(C)C ZINC001019394503 688346114 /nfs/dbraw/zinc/34/61/14/688346114.db2.gz JOHZQNZGSUZXGD-SZMVWBNQSA-N 1 3 315.461 2.205 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2)C1)N(C)C ZINC001029767557 688574236 /nfs/dbraw/zinc/57/42/36/688574236.db2.gz ULOPJUUQMCYWLG-QZTJIDSGSA-N 1 3 317.477 2.307 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2)C1)N(C)C ZINC001029767557 688574239 /nfs/dbraw/zinc/57/42/39/688574239.db2.gz ULOPJUUQMCYWLG-QZTJIDSGSA-N 1 3 317.477 2.307 20 0 DEADHO c1ccc2c(c1)CNC[C@H]2c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871800752 688872766 /nfs/dbraw/zinc/87/27/66/688872766.db2.gz SKARSAJTPKBIDK-NQKGRLOXSA-N 1 3 310.401 2.303 20 0 DEADHO C[C@]1(C(F)(F)F)CC[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000872146641 688936810 /nfs/dbraw/zinc/93/68/10/688936810.db2.gz UEFIMSJNHAGPSS-KKUMJFAQSA-N 1 3 316.367 2.192 20 0 DEADHO C[C@]1(C(F)(F)F)CC[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000872146641 688936813 /nfs/dbraw/zinc/93/68/13/688936813.db2.gz UEFIMSJNHAGPSS-KKUMJFAQSA-N 1 3 316.367 2.192 20 0 DEADHO COc1ccccc1N1CC[C@H](N(C)CCCCCC[NH3+])C1=O ZINC000872155726 688940112 /nfs/dbraw/zinc/94/01/12/688940112.db2.gz UTVCYEKSOAELOY-INIZCTEOSA-N 1 3 319.449 2.251 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCC1C[NH+](CC2CCCCC2)C1 ZINC001031665973 688976644 /nfs/dbraw/zinc/97/66/44/688976644.db2.gz KBABRZBRNUTCMU-GOSISDBHSA-N 1 3 321.509 2.488 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2ccccc2)C1 ZINC001031715557 688985416 /nfs/dbraw/zinc/98/54/16/688985416.db2.gz VPBMCSZWJMACEL-SFHVURJKSA-N 1 3 315.461 2.109 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2ccccc2)C1 ZINC001031715557 688985417 /nfs/dbraw/zinc/98/54/17/688985417.db2.gz VPBMCSZWJMACEL-SFHVURJKSA-N 1 3 315.461 2.109 20 0 DEADHO C[NH+]1CCC2(CC1)CN(C[C@H]1C[C@@H]3[C@H](C1)C3(F)F)CCO2 ZINC000930823307 694250458 /nfs/dbraw/zinc/25/04/58/694250458.db2.gz HUDGCZBUZCPLEN-BTTYYORXSA-N 1 3 300.393 2.074 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC1 ZINC001032492910 689167012 /nfs/dbraw/zinc/16/70/12/689167012.db2.gz CYIQMOUNCSVDPN-OKZBNKHCSA-N 1 3 319.493 2.192 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC1 ZINC001032492910 689167013 /nfs/dbraw/zinc/16/70/13/689167013.db2.gz CYIQMOUNCSVDPN-OKZBNKHCSA-N 1 3 319.493 2.192 20 0 DEADHO N[C@@H]1C[C@H]([NH2+]C[C@@H]2CC3(CO2)CCOCC3)c2ccccc21 ZINC000873251028 689194183 /nfs/dbraw/zinc/19/41/83/689194183.db2.gz IAKDPLIKNOIBNV-XKQJLSEDSA-N 1 3 302.418 2.307 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000873249880 689194231 /nfs/dbraw/zinc/19/42/31/689194231.db2.gz DBDGMKSGDQUVFV-BBRMVZONSA-N 1 3 319.449 2.085 20 0 DEADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H]1CC2(CO1)CCOCC2 ZINC000873251539 689194451 /nfs/dbraw/zinc/19/44/51/689194451.db2.gz KZIZFVSGEHDCRZ-BRWVUGGUSA-N 1 3 310.482 2.473 20 0 DEADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H]1Cc2ccccc2CN1 ZINC000873296662 689205071 /nfs/dbraw/zinc/20/50/71/689205071.db2.gz KYVFMXAODUPFPW-CWFSZBLJSA-N 1 3 309.457 2.249 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC(C)(C)C ZINC001032627032 689206772 /nfs/dbraw/zinc/20/67/72/689206772.db2.gz QSKAOUVNAWDEDE-PMPSAXMXSA-N 1 3 307.482 2.192 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC(C)(C)C ZINC001032627032 689206776 /nfs/dbraw/zinc/20/67/76/689206776.db2.gz QSKAOUVNAWDEDE-PMPSAXMXSA-N 1 3 307.482 2.192 20 0 DEADHO CC[C@H](C(=O)N[C@]1(C)CCN(CCCF)C1)[NH+](CC)CC ZINC001375847526 1158890265 /nfs/dbraw/zinc/89/02/65/1158890265.db2.gz XQYXOOOSIDYSRW-GDBMZVCRSA-N 1 3 301.450 2.047 20 0 DEADHO CC[C@H](C(=O)N[C@]1(C)CC[N@H+](CCCF)C1)N(CC)CC ZINC001375847526 1158890267 /nfs/dbraw/zinc/89/02/67/1158890267.db2.gz XQYXOOOSIDYSRW-GDBMZVCRSA-N 1 3 301.450 2.047 20 0 DEADHO CC[C@H](C(=O)N[C@]1(C)CC[N@@H+](CCCF)C1)N(CC)CC ZINC001375847526 1158890269 /nfs/dbraw/zinc/89/02/69/1158890269.db2.gz XQYXOOOSIDYSRW-GDBMZVCRSA-N 1 3 301.450 2.047 20 0 DEADHO C[C@H]1CCCN1CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001033415720 689493227 /nfs/dbraw/zinc/49/32/27/689493227.db2.gz KEOXMWDHJLTOQX-WMZOPIPTSA-N 1 3 315.461 2.204 20 0 DEADHO C[C@H]1CCCN1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001033415720 689493232 /nfs/dbraw/zinc/49/32/32/689493232.db2.gz KEOXMWDHJLTOQX-WMZOPIPTSA-N 1 3 315.461 2.204 20 0 DEADHO CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CCN(CC=C(C)C)C1 ZINC001033830991 689630160 /nfs/dbraw/zinc/63/01/60/689630160.db2.gz RHWXJTDBSHFURA-ZWKOTPCHSA-N 1 3 319.493 2.217 20 0 DEADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCN(CC=C(C)C)C1 ZINC001033832989 689630767 /nfs/dbraw/zinc/63/07/67/689630767.db2.gz CEAVWBFRJGZUAD-BRWVUGGUSA-N 1 3 307.482 2.216 20 0 DEADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCN(CC=C(C)C)C1 ZINC001033832989 689630770 /nfs/dbraw/zinc/63/07/70/689630770.db2.gz CEAVWBFRJGZUAD-BRWVUGGUSA-N 1 3 307.482 2.216 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](C(C)C)C1 ZINC001034288026 689796012 /nfs/dbraw/zinc/79/60/12/689796012.db2.gz LJUQGIHRFRLMRP-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](C(C)C)C1 ZINC001034288026 689796014 /nfs/dbraw/zinc/79/60/14/689796014.db2.gz LJUQGIHRFRLMRP-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC)cc1 ZINC001034816496 689953821 /nfs/dbraw/zinc/95/38/21/689953821.db2.gz AFVVCZGHCMOYPJ-KRWDZBQOSA-N 1 3 303.450 2.287 20 0 DEADHO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CCN(C2CCCCC2)CC1 ZINC000876874011 689960811 /nfs/dbraw/zinc/96/08/11/689960811.db2.gz YAWGMDJKLAWBJY-FDMDGMSGSA-N 1 3 305.466 2.019 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001035052441 690021940 /nfs/dbraw/zinc/02/19/40/690021940.db2.gz XHQGMORMCMXDKD-GOEBONIOSA-N 1 3 321.490 2.313 20 0 DEADHO Cc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)Cc2c[nH]cn2)c1 ZINC001035063610 690024304 /nfs/dbraw/zinc/02/43/04/690024304.db2.gz ZRFIBELNTHTOSW-QGZVFWFLSA-N 1 3 312.417 2.041 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001035166559 690045991 /nfs/dbraw/zinc/04/59/91/690045991.db2.gz QBHSQUGJYWCISR-SJORKVTESA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001035166559 690045994 /nfs/dbraw/zinc/04/59/94/690045994.db2.gz QBHSQUGJYWCISR-SJORKVTESA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)N1CCC2(CC[N@H+](CC(C)C)C2)CC1)N(C)C ZINC001035229271 690066819 /nfs/dbraw/zinc/06/68/19/690066819.db2.gz FOBASALHEWGNOJ-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C(=O)N1CCC2(CC[N@@H+](CC(C)C)C2)CC1)N(C)C ZINC001035229271 690066821 /nfs/dbraw/zinc/06/68/21/690066821.db2.gz FOBASALHEWGNOJ-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](CC)N(C)C)CC2 ZINC001035229296 690066953 /nfs/dbraw/zinc/06/69/53/690066953.db2.gz GTTWFRUDEKTNRA-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](CC)N(C)C)CC2 ZINC001035229296 690066956 /nfs/dbraw/zinc/06/69/56/690066956.db2.gz GTTWFRUDEKTNRA-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@H](C(=O)NC[C@@H]1Cc2ccccc2CN1)[NH+]1CCCCCC1 ZINC000877342826 690082817 /nfs/dbraw/zinc/08/28/17/690082817.db2.gz FVLLCCGZPANGEJ-YJBOKZPZSA-N 1 3 315.461 2.082 20 0 DEADHO N[C@H](CC(F)F)C(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000877452690 690117159 /nfs/dbraw/zinc/11/71/59/690117159.db2.gz QMCRHFGEOXNYOO-FPMFFAJLSA-N 1 3 317.424 2.115 20 0 DEADHO CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001035669746 690147703 /nfs/dbraw/zinc/14/77/03/690147703.db2.gz WPGZTIKEMROKND-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO COCCN(Cc1cccc2nccn21)CC1CC[NH+](C)CC1 ZINC000877663919 690182836 /nfs/dbraw/zinc/18/28/36/690182836.db2.gz DGJDYMNUWJNUPE-UHFFFAOYSA-N 1 3 316.449 2.125 20 0 DEADHO CC(C)=CCN1CC2(C1)CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)CC2 ZINC001035834913 690188284 /nfs/dbraw/zinc/18/82/84/690188284.db2.gz PVGLXFMXZGYHAS-QGZVFWFLSA-N 1 3 319.493 2.219 20 0 DEADHO CC(C)=CCN1CC2(C1)CCN(C(=O)C[C@H]1CC[N@H+](C)C1)CC2 ZINC001035834913 690188288 /nfs/dbraw/zinc/18/82/88/690188288.db2.gz PVGLXFMXZGYHAS-QGZVFWFLSA-N 1 3 319.493 2.219 20 0 DEADHO COC(=O)c1ccc(CN2CCC3(CC2)CC[NH+](C)CC3)[nH]1 ZINC000877684717 690190592 /nfs/dbraw/zinc/19/05/92/690190592.db2.gz ULSHLWDFLRIEJN-UHFFFAOYSA-N 1 3 305.422 2.109 20 0 DEADHO CN1CCN(C2CC[NH+](Cc3cnc4ccccc4c3)CC2)CC1 ZINC000877747389 690213673 /nfs/dbraw/zinc/21/36/73/690213673.db2.gz JMJHVSQVABDCNJ-UHFFFAOYSA-N 1 3 324.472 2.447 20 0 DEADHO CC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001036306025 690315916 /nfs/dbraw/zinc/31/59/16/690315916.db2.gz VWFMXBFEHLLEND-YOEHRIQHSA-N 1 3 303.450 2.208 20 0 DEADHO C[C@H]([NH2+]CC1CC1)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001036420252 690346398 /nfs/dbraw/zinc/34/63/98/690346398.db2.gz YKPRWUXRMDEJFK-GOEBONIOSA-N 1 3 307.482 2.097 20 0 DEADHO C[NH+]1CCC(NC(=O)CN[C@@]2(C)CCCc3ccccc32)CC1 ZINC000878240301 690355079 /nfs/dbraw/zinc/35/50/79/690355079.db2.gz PJEVUMPGZIFTGM-IBGZPJMESA-N 1 3 315.461 2.038 20 0 DEADHO O[C@@H]1CCN(C2CC[NH+](CC[C@H]3CCCC3(F)F)CC2)C1 ZINC000878992797 690543765 /nfs/dbraw/zinc/54/37/65/690543765.db2.gz DGHRJNMTSYHRGG-UKRRQHHQSA-N 1 3 302.409 2.343 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2CCCC2CCC2)CC[N@@H+]1C ZINC001038265860 690762894 /nfs/dbraw/zinc/76/28/94/690762894.db2.gz NNXVNYHBHSJRCN-HYVNUMGLSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2CCCC2CCC2)CC[N@H+]1C ZINC001038265860 690762897 /nfs/dbraw/zinc/76/28/97/690762897.db2.gz NNXVNYHBHSJRCN-HYVNUMGLSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)CCN1CC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001038392915 690804764 /nfs/dbraw/zinc/80/47/64/690804764.db2.gz DWVPUDQQSVLIBD-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCN2CCCC2CCC2)CC[N@@H+]1C ZINC001038629629 690880873 /nfs/dbraw/zinc/88/08/73/690880873.db2.gz JFRWXLZTFQHGMN-SZMVWBNQSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCN2CCCC2CCC2)CC[N@H+]1C ZINC001038629629 690880877 /nfs/dbraw/zinc/88/08/77/690880877.db2.gz JFRWXLZTFQHGMN-SZMVWBNQSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC1CC1 ZINC001038783476 690925737 /nfs/dbraw/zinc/92/57/37/690925737.db2.gz XUFNKCVMVOZBIW-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCC1CC1 ZINC001038783476 690925738 /nfs/dbraw/zinc/92/57/38/690925738.db2.gz XUFNKCVMVOZBIW-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ncsc1C1CC1 ZINC000880663871 690952011 /nfs/dbraw/zinc/95/20/11/690952011.db2.gz HKRWCOYODUXOFQ-LBPRGKRZSA-N 1 3 324.494 2.022 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ncsc1C1CC1 ZINC000880663871 690952013 /nfs/dbraw/zinc/95/20/13/690952013.db2.gz HKRWCOYODUXOFQ-LBPRGKRZSA-N 1 3 324.494 2.022 20 0 DEADHO O=C(NC[C@H]1CCN1CCC1CC1)C1CC[NH+](CC2CC2)CC1 ZINC001038895897 690959347 /nfs/dbraw/zinc/95/93/47/690959347.db2.gz HXSPZLFKPHNQMO-GOSISDBHSA-N 1 3 319.493 2.099 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCN2CCC2CCCCC2)C1 ZINC001039027667 690996600 /nfs/dbraw/zinc/99/66/00/690996600.db2.gz KJEPJOCVIGVXEL-DLBZAZTESA-N 1 3 307.482 2.099 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCN2CCC2CCCCC2)C1 ZINC001039027667 690996605 /nfs/dbraw/zinc/99/66/05/690996605.db2.gz KJEPJOCVIGVXEL-DLBZAZTESA-N 1 3 307.482 2.099 20 0 DEADHO CCCCN1CC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001039049760 691003547 /nfs/dbraw/zinc/00/35/47/691003547.db2.gz MYHSKMJMQUJXRS-MRXNPFEDSA-N 1 3 303.450 2.352 20 0 DEADHO CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001039136391 691030690 /nfs/dbraw/zinc/03/06/90/691030690.db2.gz JLMPYNBQEGAKCT-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001039136391 691030693 /nfs/dbraw/zinc/03/06/93/691030693.db2.gz JLMPYNBQEGAKCT-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCC[C@H]1C ZINC001039298287 691076758 /nfs/dbraw/zinc/07/67/58/691076758.db2.gz UGZVOTMEILOQPX-MGNMYUMUSA-N 1 3 307.482 2.381 20 0 DEADHO CC[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040390971 691241126 /nfs/dbraw/zinc/24/11/26/691241126.db2.gz NENIGVUOAUERAL-SFHVURJKSA-N 1 3 307.482 2.053 20 0 DEADHO CC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040390971 691241129 /nfs/dbraw/zinc/24/11/29/691241129.db2.gz NENIGVUOAUERAL-SFHVURJKSA-N 1 3 307.482 2.053 20 0 DEADHO CC[C@H](C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041358764 691366943 /nfs/dbraw/zinc/36/69/43/691366943.db2.gz QTUSOVCOSYYZPA-QFBILLFUSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C)C[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041358764 691366944 /nfs/dbraw/zinc/36/69/44/691366944.db2.gz QTUSOVCOSYYZPA-QFBILLFUSA-N 1 3 321.509 2.441 20 0 DEADHO CN(CC(=O)N1CC[C@]2(CC[N@H+](CC3CCC3)C2)C1)C1CCC1 ZINC001041359840 691367166 /nfs/dbraw/zinc/36/71/66/691367166.db2.gz VOUCYOJPXBYPNQ-IBGZPJMESA-N 1 3 319.493 2.195 20 0 DEADHO CN(CC(=O)N1CC[C@]2(CC[N@@H+](CC3CCC3)C2)C1)C1CCC1 ZINC001041359840 691367169 /nfs/dbraw/zinc/36/71/69/691367169.db2.gz VOUCYOJPXBYPNQ-IBGZPJMESA-N 1 3 319.493 2.195 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001041379487 691369745 /nfs/dbraw/zinc/36/97/45/691369745.db2.gz QRMJBYMAGWJKAX-FUHWJXTLSA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001041379487 691369749 /nfs/dbraw/zinc/36/97/49/691369749.db2.gz QRMJBYMAGWJKAX-FUHWJXTLSA-N 1 3 309.498 2.153 20 0 DEADHO CC[NH+](CC)CC[C@H](CO)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000883160657 691444029 /nfs/dbraw/zinc/44/40/29/691444029.db2.gz XDJALIFTKCFJAG-BZUAXINKSA-N 1 3 300.487 2.263 20 0 DEADHO CC[NH+](CC)CC[C@H](CO)N[C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000883160656 691444419 /nfs/dbraw/zinc/44/44/19/691444419.db2.gz XDJALIFTKCFJAG-ARFHVFGLSA-N 1 3 300.487 2.263 20 0 DEADHO CC[NH+](CC)CC[C@H](CO)N[C@@H]1CCc2cccnc2CC1 ZINC000883159964 691444554 /nfs/dbraw/zinc/44/45/54/691444554.db2.gz AYLGOIHIFDVGDF-IAGOWNOFSA-N 1 3 305.466 2.011 20 0 DEADHO O=c1oc2ccc(CN[C@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2o1 ZINC000883161936 691444853 /nfs/dbraw/zinc/44/48/53/691444853.db2.gz FZGTYBMCVPXVMS-KBPBESRZSA-N 1 3 302.374 2.493 20 0 DEADHO O=c1oc2ccc(CN[C@H]3CCC[N@H+]4CCCC[C@@H]34)cc2o1 ZINC000883161936 691444854 /nfs/dbraw/zinc/44/48/54/691444854.db2.gz FZGTYBMCVPXVMS-KBPBESRZSA-N 1 3 302.374 2.493 20 0 DEADHO C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1CCC2(CCOCC2)CO1 ZINC000883262071 691467607 /nfs/dbraw/zinc/46/76/07/691467607.db2.gz VNPDJXBTWVAPEX-SFHVURJKSA-N 1 3 322.493 2.426 20 0 DEADHO CCC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@H]21 ZINC001042185387 691532105 /nfs/dbraw/zinc/53/21/05/691532105.db2.gz BIHKKOJMNHGFHI-JKSUJKDBSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@H]21 ZINC001042185387 691532108 /nfs/dbraw/zinc/53/21/08/691532108.db2.gz BIHKKOJMNHGFHI-JKSUJKDBSA-N 1 3 307.482 2.194 20 0 DEADHO CC1CC(C[NH2+]C[C@@H]2CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001045070672 691935212 /nfs/dbraw/zinc/93/52/12/691935212.db2.gz QSAILNZIHRJBJK-DQPZFDDXSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1C)N(C)C ZINC001045089382 691936513 /nfs/dbraw/zinc/93/65/13/691936513.db2.gz HMSQXVLJGOIEDW-ZWKOTPCHSA-N 1 3 317.477 2.416 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]2C[NH2+]Cc2ccsc2)C1 ZINC001045200300 691951308 /nfs/dbraw/zinc/95/13/08/691951308.db2.gz TWYWTAFVQVKIQZ-ZBFHGGJFSA-N 1 3 321.490 2.171 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000885922316 691963316 /nfs/dbraw/zinc/96/33/16/691963316.db2.gz ANYOAKFLARNDPQ-GOSISDBHSA-N 1 3 323.525 2.486 20 0 DEADHO CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001045967153 692064183 /nfs/dbraw/zinc/06/41/83/692064183.db2.gz NXVMRFFOBCFRKB-MJGOQNOKSA-N 1 3 321.509 2.443 20 0 DEADHO CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001045967153 692064185 /nfs/dbraw/zinc/06/41/85/692064185.db2.gz NXVMRFFOBCFRKB-MJGOQNOKSA-N 1 3 321.509 2.443 20 0 DEADHO CC(C)N(C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886619102 692134953 /nfs/dbraw/zinc/13/49/53/692134953.db2.gz SGEXBQCPERXNOK-IHRRRGAJSA-N 1 3 308.388 2.352 20 0 DEADHO CC(C)N(C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886619102 692134956 /nfs/dbraw/zinc/13/49/56/692134956.db2.gz SGEXBQCPERXNOK-IHRRRGAJSA-N 1 3 308.388 2.352 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCC1)C2 ZINC001047190036 692389694 /nfs/dbraw/zinc/38/96/94/692389694.db2.gz JKXLDMFSRMDYJW-XHSDSOJGSA-N 1 3 316.449 2.030 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCC1)C2 ZINC001047190036 692389698 /nfs/dbraw/zinc/38/96/98/692389698.db2.gz JKXLDMFSRMDYJW-XHSDSOJGSA-N 1 3 316.449 2.030 20 0 DEADHO CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)CC1 ZINC001047244872 692401821 /nfs/dbraw/zinc/40/18/21/692401821.db2.gz VUDKPANPRCOPTB-ROUUACIJSA-N 1 3 321.509 2.297 20 0 DEADHO CC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001048069474 692541959 /nfs/dbraw/zinc/54/19/59/692541959.db2.gz REFNJNUHQNMITB-PBHICJAKSA-N 1 3 303.450 2.208 20 0 DEADHO CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001048069476 692542612 /nfs/dbraw/zinc/54/26/12/692542612.db2.gz REFNJNUHQNMITB-WMLDXEAASA-N 1 3 303.450 2.208 20 0 DEADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](CC3CCCC3)C[C@@H]2C1)C1CCC1 ZINC001048864569 692713320 /nfs/dbraw/zinc/71/33/20/692713320.db2.gz JZHGEWNSGXGMLF-CALCHBBNSA-N 1 3 319.493 2.051 20 0 DEADHO CN(CC(=O)N1C[C@@H]2C[N@H+](CC3CCCC3)C[C@@H]2C1)C1CCC1 ZINC001048864569 692713323 /nfs/dbraw/zinc/71/33/23/692713323.db2.gz JZHGEWNSGXGMLF-CALCHBBNSA-N 1 3 319.493 2.051 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@@H]2C1 ZINC001049058481 692753963 /nfs/dbraw/zinc/75/39/63/692753963.db2.gz ZXEZJVOLZBMSGQ-YESZJQIVSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CCC(C)(C)C)C[C@@H]2C1 ZINC001049058481 692753965 /nfs/dbraw/zinc/75/39/65/692753965.db2.gz ZXEZJVOLZBMSGQ-YESZJQIVSA-N 1 3 321.509 2.297 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2ccnnc2)[C@H](C)C1 ZINC000925077787 693223490 /nfs/dbraw/zinc/22/34/90/693223490.db2.gz IMPHLEZDSITVFN-INMHGKMJSA-N 1 3 306.454 2.264 20 0 DEADHO CC(C)CC[NH+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001050663583 693227453 /nfs/dbraw/zinc/22/74/53/693227453.db2.gz VRKHXLHYLVEGGA-QGZVFWFLSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)CCN1CCC([NH2+]C[C@@H](C)CN2CCOCC2)CC1 ZINC000925112302 693228090 /nfs/dbraw/zinc/22/80/90/693228090.db2.gz LWAGDVCOMJINFP-QGZVFWFLSA-N 1 3 311.514 2.055 20 0 DEADHO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925498598 693283296 /nfs/dbraw/zinc/28/32/96/693283296.db2.gz HBNRYCSSXGWJEY-XMTFNYHQSA-N 1 3 321.509 2.391 20 0 DEADHO COc1cc(OC)cc([C@H](O)CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925500979 693283845 /nfs/dbraw/zinc/28/38/45/693283845.db2.gz ANGLLWJYVSIBJH-JKIFEVAISA-N 1 3 322.449 2.233 20 0 DEADHO c1ccn2c(c1)nnc2CCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925512082 693286137 /nfs/dbraw/zinc/28/61/37/693286137.db2.gz ZEWMZLDREBAZGE-CVEARBPZSA-N 1 3 313.449 2.030 20 0 DEADHO O[C@H](CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)COc1ccccc1 ZINC000925534105 693290816 /nfs/dbraw/zinc/29/08/16/693290816.db2.gz SCHYDYLHEGGSQG-NZSAHSFTSA-N 1 3 318.461 2.184 20 0 DEADHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCc2ccc(Cn3cncn3)cc2)C1 ZINC000925536307 693291483 /nfs/dbraw/zinc/29/14/83/693291483.db2.gz COKHJWCFRRKZSC-DLBZAZTESA-N 1 3 313.449 2.322 20 0 DEADHO CCN1CCN(Cc2ccc(N[C@H]3CCC[NH2+][C@H]3C)cc2)CC1 ZINC000925571393 693299969 /nfs/dbraw/zinc/29/99/69/693299969.db2.gz HLKKQMRZBURDSO-LPHOPBHVSA-N 1 3 316.493 2.377 20 0 DEADHO O=C(NCCC[NH2+][C@H]1CCNC[C@H]1C1CCCC1)C1CCC1 ZINC000925577495 693301217 /nfs/dbraw/zinc/30/12/17/693301217.db2.gz SGSDCEVJUKKRAI-IRXDYDNUSA-N 1 3 307.482 2.051 20 0 DEADHO OC1(C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)Cc2ccccc2C1 ZINC000925610747 693308860 /nfs/dbraw/zinc/30/88/60/693308860.db2.gz HNGWKMLGXAFMIO-RBUKOAKNSA-N 1 3 314.473 2.274 20 0 DEADHO OC1(CN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)Cc2ccccc2C1 ZINC000925610747 693308866 /nfs/dbraw/zinc/30/88/66/693308866.db2.gz HNGWKMLGXAFMIO-RBUKOAKNSA-N 1 3 314.473 2.274 20 0 DEADHO CC1(C)[C@@H](NCCc2cnc(C3CC3)nc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925624745 693310968 /nfs/dbraw/zinc/31/09/68/693310968.db2.gz BCSBPVAVQFFUEY-PMPSAXMXSA-N 1 3 300.450 2.263 20 0 DEADHO C[C@H]1[NH2+]CCC[C@@H]1NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000925673593 693322022 /nfs/dbraw/zinc/32/20/22/693322022.db2.gz ZFQOUWJZVAZUMH-RISCZKNCSA-N 1 3 324.856 2.003 20 0 DEADHO N[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](C(=O)OCc3ccccc3)C2)C12CCC2 ZINC000925729413 693331460 /nfs/dbraw/zinc/33/14/60/693331460.db2.gz PWFVLKJMAQWSLC-LUKYLMHMSA-N 1 3 314.429 2.368 20 0 DEADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCC1(C2(O)CCOCC2)CC1 ZINC000925828088 693348789 /nfs/dbraw/zinc/34/87/89/693348789.db2.gz ZMGJEDFAASOJFW-HZPDHXFCSA-N 1 3 310.482 2.209 20 0 DEADHO C[C@H](CC(=O)N1CCCCCC1)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925843491 693351076 /nfs/dbraw/zinc/35/10/76/693351076.db2.gz QJNNFBJNSALTMF-JFIYKMOQSA-N 1 3 307.482 2.289 20 0 DEADHO CCOC(=O)N1CC[C@H]([NH2+]C2CCN(CCC(C)C)CC2)C1 ZINC000926200731 693413813 /nfs/dbraw/zinc/41/38/13/693413813.db2.gz JFERHQHIUOVBBO-INIZCTEOSA-N 1 3 311.470 2.317 20 0 DEADHO CCN1CCC[C@@H](N[C@H](C)c2cccc(C[NH+](C)C)c2)C1=O ZINC000926898841 693526439 /nfs/dbraw/zinc/52/64/39/693526439.db2.gz HDBQLCLDAYUJKU-RHSMWYFYSA-N 1 3 303.450 2.410 20 0 DEADHO CC[C@H](F)CN1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052680407 693595118 /nfs/dbraw/zinc/59/51/18/693595118.db2.gz KEKOEYFSRUPARN-HOTGVXAUSA-N 1 3 313.461 2.047 20 0 DEADHO CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099223 693688627 /nfs/dbraw/zinc/68/86/27/693688627.db2.gz SQUHNBSWCMTXAW-ZBFHGGJFSA-N 1 3 304.438 2.065 20 0 DEADHO CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099223 693688629 /nfs/dbraw/zinc/68/86/29/693688629.db2.gz SQUHNBSWCMTXAW-ZBFHGGJFSA-N 1 3 304.438 2.065 20 0 DEADHO CC(C)CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001402393647 1162342877 /nfs/dbraw/zinc/34/28/77/1162342877.db2.gz JEGBDAFDOKRDAH-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)CC1 ZINC001402401380 1162344619 /nfs/dbraw/zinc/34/46/19/1162344619.db2.gz BZRBEPJJEGEIMU-WKILWMFISA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001402408242 1162346851 /nfs/dbraw/zinc/34/68/51/1162346851.db2.gz ITXFCLKNXFPVIC-KZNAEPCWSA-N 1 3 323.525 2.496 20 0 DEADHO c1[nH]nc2cc(CNC3CC[NH+](C[C@@H]4CCCO4)CC3)ccc12 ZINC001414084826 1150364510 /nfs/dbraw/zinc/36/45/10/1150364510.db2.gz MCSJPFWNNGHOLC-KRWDZBQOSA-N 1 3 314.433 2.296 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]C[C@H](O)c2ccc(F)cc2)C[C@H](C)O1 ZINC001335352023 1150399038 /nfs/dbraw/zinc/39/90/38/1150399038.db2.gz VPKJHWVHIDDCLS-DAYGRLMNSA-N 1 3 324.440 2.338 20 0 DEADHO CC[NH+](CC)CC(C)(C)COC(=O)C1CCCN(C2CC2)C1=O ZINC001346135693 1150943522 /nfs/dbraw/zinc/94/35/22/1150943522.db2.gz UTWNKBGWRRFPFA-HNNXBMFYSA-N 1 3 324.465 2.299 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001402712898 1162447981 /nfs/dbraw/zinc/44/79/81/1162447981.db2.gz JZENOXGPGYZMLJ-IBGZPJMESA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001402712898 1162447983 /nfs/dbraw/zinc/44/79/83/1162447983.db2.gz JZENOXGPGYZMLJ-IBGZPJMESA-N 1 3 321.509 2.441 20 0 DEADHO Cc1ccc(F)c(CN[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)c1 ZINC001402801567 1162476441 /nfs/dbraw/zinc/47/64/41/1162476441.db2.gz ZEBALIFRQSQDTN-PBHICJAKSA-N 1 3 321.440 2.022 20 0 DEADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccsc1 ZINC001402824246 1162485239 /nfs/dbraw/zinc/48/52/39/1162485239.db2.gz RUJKXMTZVVGNTC-ZDUSSCGKSA-N 1 3 309.479 2.217 20 0 DEADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001402840704 1162492865 /nfs/dbraw/zinc/49/28/65/1162492865.db2.gz MGQKAJSRLJUJMS-MJBXVCDLSA-N 1 3 319.440 2.246 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1cccnc1)C(C)(C)C)N(C)C ZINC001380086480 1152748488 /nfs/dbraw/zinc/74/84/88/1152748488.db2.gz XWEOQATUZAIZFO-JKSUJKDBSA-N 1 3 320.481 2.042 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1C ZINC001380287309 1152781873 /nfs/dbraw/zinc/78/18/73/1152781873.db2.gz RPERZFFLDWSPFL-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CC[NH+]1CCC(C)(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001380439473 1152812207 /nfs/dbraw/zinc/81/22/07/1152812207.db2.gz JIKFXJJKPCGOML-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CCC3CCCC3)C[C@@H]2C1 ZINC001380706620 1152847512 /nfs/dbraw/zinc/84/75/12/1152847512.db2.gz WBXAYEFAUHACQJ-HDICACEKSA-N 1 3 321.509 2.299 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CCC3CCCC3)C[C@@H]2C1 ZINC001380706620 1152847515 /nfs/dbraw/zinc/84/75/15/1152847515.db2.gz WBXAYEFAUHACQJ-HDICACEKSA-N 1 3 321.509 2.299 20 0 DEADHO CN(C)C1(C(=O)N(C)CCC[N@H+](C)Cc2ccccc2)CCC1 ZINC001380977404 1152888768 /nfs/dbraw/zinc/88/87/68/1152888768.db2.gz FNPZQUNKFBGAIJ-UHFFFAOYSA-N 1 3 317.477 2.451 20 0 DEADHO CN(C)C1(C(=O)N(C)CCC[N@@H+](C)Cc2ccccc2)CCC1 ZINC001380977404 1152888770 /nfs/dbraw/zinc/88/87/70/1152888770.db2.gz FNPZQUNKFBGAIJ-UHFFFAOYSA-N 1 3 317.477 2.451 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001381124605 1152917983 /nfs/dbraw/zinc/91/79/83/1152917983.db2.gz SLZVOTADXSFCQB-PBHICJAKSA-N 1 3 321.440 2.104 20 0 DEADHO CCCN1CCCC[C@@H]1C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC001362719783 1153057668 /nfs/dbraw/zinc/05/76/68/1153057668.db2.gz NOAOIHQWDGFQQN-BZUAXINKSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H](CN(C)C(=O)CN(C)CC(C)(C)C)[NH2+]C/C=C/Cl ZINC001382118768 1153365206 /nfs/dbraw/zinc/36/52/06/1153365206.db2.gz JASUHPUTBDJPRC-SBDDDAINSA-N 1 3 303.878 2.153 20 0 DEADHO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC001363401607 1153379982 /nfs/dbraw/zinc/37/99/82/1153379982.db2.gz VZNIWMDOMSNKMG-RCCFBDPRSA-N 1 3 315.461 2.375 20 0 DEADHO CSC[C@H](O)CN1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001363816094 1153646961 /nfs/dbraw/zinc/64/69/61/1153646961.db2.gz RKCIPPCUCPVLGZ-HZPDHXFCSA-N 1 3 300.512 2.297 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001388700092 1155069805 /nfs/dbraw/zinc/06/98/05/1155069805.db2.gz VKGBBBXEHWDBJM-HDICACEKSA-N 1 3 317.477 2.321 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001388704528 1155071462 /nfs/dbraw/zinc/07/14/62/1155071462.db2.gz UGRWOVITTSQJIA-XPGCVZSKSA-N 1 3 313.873 2.098 20 0 DEADHO CCC[NH+]1CCC2(C[C@H]2NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001389522060 1155360964 /nfs/dbraw/zinc/36/09/64/1155360964.db2.gz KLXMSKXXBZHPLD-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](N[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)c1ccccc1F ZINC001389880946 1155460535 /nfs/dbraw/zinc/46/05/35/1155460535.db2.gz UVWOHVJRKPXEMH-MGPQQGTHSA-N 1 3 307.413 2.075 20 0 DEADHO C[NH+](C)CCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC001389933240 1155475105 /nfs/dbraw/zinc/47/51/05/1155475105.db2.gz SWMMEWZWHRMMTI-HCAHTGKVSA-N 1 3 313.873 2.192 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCc2cccs2)C1)N(C)C ZINC001390008616 1155497600 /nfs/dbraw/zinc/49/76/00/1155497600.db2.gz JATYBTCHRISTRK-LZWOXQAQSA-N 1 3 323.506 2.114 20 0 DEADHO CC[C@H](C)C[NH2+]C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001390070198 1155519978 /nfs/dbraw/zinc/51/99/78/1155519978.db2.gz DZORJAOMIIEUDD-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001403100479 1162714236 /nfs/dbraw/zinc/71/42/36/1162714236.db2.gz LFUYTLWILVGSOR-INIZCTEOSA-N 1 3 305.466 2.240 20 0 DEADHO CC(C)[C@H](C(=O)NC1CCC([NH2+]CC2CCC2)CC1)N(C)C ZINC001371075038 1155684886 /nfs/dbraw/zinc/68/48/86/1155684886.db2.gz WFKKFMOYKXDXLA-OFLPRAFFSA-N 1 3 309.498 2.390 20 0 DEADHO CCc1cccc(C[NH2+][C@H](C)CNC(=O)[C@H](CC)N(C)C)c1 ZINC001390476434 1155747416 /nfs/dbraw/zinc/74/74/16/1155747416.db2.gz GHYIFNKHSPBKTL-PBHICJAKSA-N 1 3 305.466 2.184 20 0 DEADHO Cc1cccc(C)c1C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001371215640 1155792275 /nfs/dbraw/zinc/79/22/75/1155792275.db2.gz YVMZBHJMCXNPEM-AEFFLSMTSA-N 1 3 319.493 2.484 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CCc1ccccc1 ZINC001371311101 1155819537 /nfs/dbraw/zinc/81/95/37/1155819537.db2.gz YYJSAUZEXDEPKR-MRXNPFEDSA-N 1 3 317.477 2.198 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)NCc1cncs1 ZINC001371386252 1155840931 /nfs/dbraw/zinc/84/09/31/1155840931.db2.gz OGOOTFWESHGCDW-HIFRSBDPSA-N 1 3 324.494 2.000 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)NCc1cncs1 ZINC001371386252 1155840934 /nfs/dbraw/zinc/84/09/34/1155840934.db2.gz OGOOTFWESHGCDW-HIFRSBDPSA-N 1 3 324.494 2.000 20 0 DEADHO C[C@@H](CCNC(=O)CN(C)CC(C)(C)C)[NH2+]CC1CC(C)C1 ZINC001390705691 1155844310 /nfs/dbraw/zinc/84/43/10/1155844310.db2.gz LHVICJIJXMCPEJ-PCKAHOCUSA-N 1 3 311.514 2.495 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]CC1CC(C)(C)C1)N(C)C ZINC001390708214 1155844872 /nfs/dbraw/zinc/84/48/72/1155844872.db2.gz YBBUUQKZDCTQRF-GOEBONIOSA-N 1 3 311.514 2.493 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001390715472 1155847767 /nfs/dbraw/zinc/84/77/67/1155847767.db2.gz BQZGQIFZMJHVBI-CQSZACIVSA-N 1 3 314.433 2.254 20 0 DEADHO CC[C@H](F)CN[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001371539713 1155868876 /nfs/dbraw/zinc/86/88/76/1155868876.db2.gz XENMNRIVQDFMQP-HOTGVXAUSA-N 1 3 313.461 2.045 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccccc2C)C1 ZINC001371630259 1155888208 /nfs/dbraw/zinc/88/82/08/1155888208.db2.gz ZTEMXJCRRYIXPX-QGZVFWFLSA-N 1 3 317.477 2.275 20 0 DEADHO C[C@H](c1ccc(F)cc1)N1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001391059528 1156075877 /nfs/dbraw/zinc/07/58/77/1156075877.db2.gz HAYUPWDRXQBBFD-PBHICJAKSA-N 1 3 321.440 2.419 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC(C)C)C1 ZINC001391364672 1156362300 /nfs/dbraw/zinc/36/23/00/1156362300.db2.gz YZWHRUUSBCXJNN-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC(C)C)C1 ZINC001391364672 1156362308 /nfs/dbraw/zinc/36/23/08/1156362308.db2.gz YZWHRUUSBCXJNN-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccccc1 ZINC001391721021 1156739216 /nfs/dbraw/zinc/73/92/16/1156739216.db2.gz OEKUDMWIOOMKDF-WBVHZDCISA-N 1 3 303.450 2.013 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(F)cc1C)N(C)C ZINC001403181511 1162810820 /nfs/dbraw/zinc/81/08/20/1162810820.db2.gz KPSCNLXJJPWCSL-PBHICJAKSA-N 1 3 323.456 2.411 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1C)N(C)C ZINC001403181511 1162810822 /nfs/dbraw/zinc/81/08/22/1162810822.db2.gz KPSCNLXJJPWCSL-PBHICJAKSA-N 1 3 323.456 2.411 20 0 DEADHO C[C@@H](C[NH2+]Cc1ccc(CF)cc1)N(C)C(=O)[C@@H]1CCCN1C ZINC001392051432 1156857718 /nfs/dbraw/zinc/85/77/18/1156857718.db2.gz REJZQMHOERYMKY-YOEHRIQHSA-N 1 3 321.440 2.187 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]CCC(F)(F)F)C(C)C)N(C)C ZINC001392248571 1156915297 /nfs/dbraw/zinc/91/52/97/1156915297.db2.gz QKNDMOKSANDLRR-NEPJUHHUSA-N 1 3 311.392 2.009 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H](CN(C)C/C=C/Cl)C1)[NH+](C)C ZINC001373291020 1156936665 /nfs/dbraw/zinc/93/66/65/1156936665.db2.gz GZGKBKBVPQGRPP-VKGGURKZSA-N 1 3 315.889 2.105 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)CCC(F)(F)F)C1)N(C)C ZINC001373290678 1156938232 /nfs/dbraw/zinc/93/82/32/1156938232.db2.gz NRKXEDBIFOFUKD-CHWSQXEVSA-N 1 3 323.403 2.059 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CCC(F)(F)F)C1)N(C)C ZINC001373290678 1156938241 /nfs/dbraw/zinc/93/82/41/1156938241.db2.gz NRKXEDBIFOFUKD-CHWSQXEVSA-N 1 3 323.403 2.059 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2F)C1 ZINC001403246233 1162826736 /nfs/dbraw/zinc/82/67/36/1162826736.db2.gz QGOOKPFYDRTAFC-HNNXBMFYSA-N 1 3 321.440 2.106 20 0 DEADHO CN(CCN(C)[C@H]1CCc2ccc(F)cc21)C(=O)CC[NH+](C)C ZINC001392303064 1157004875 /nfs/dbraw/zinc/00/48/75/1157004875.db2.gz KIBOHTWYAZPFMB-KRWDZBQOSA-N 1 3 321.440 2.155 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCCc2ccccc21)N(C)C ZINC001392486419 1157070241 /nfs/dbraw/zinc/07/02/41/1157070241.db2.gz COQQDGSGWJENID-ZTFGCOKTSA-N 1 3 317.477 2.499 20 0 DEADHO CCCC[NH+]1CC(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001373536059 1157086025 /nfs/dbraw/zinc/08/60/25/1157086025.db2.gz DOUIHMHVDQBYBZ-KRWDZBQOSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)[C@H](C(=O)NCC1CN([C@H](C)c2ccccc2)C1)[NH+](C)C ZINC001373547704 1157090833 /nfs/dbraw/zinc/09/08/33/1157090833.db2.gz WAIXXBYSAYUTKZ-CRAIPNDOSA-N 1 3 317.477 2.382 20 0 DEADHO CC[C@@H](c1ccc(F)cc1)N1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001373641205 1157197450 /nfs/dbraw/zinc/19/74/50/1157197450.db2.gz XDDOSUCISAMHGI-SJORKVTESA-N 1 3 321.440 2.419 20 0 DEADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cccc(F)c1 ZINC001373757817 1157343540 /nfs/dbraw/zinc/34/35/40/1157343540.db2.gz IYPSEJHKUIFREM-INIZCTEOSA-N 1 3 321.440 2.294 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+][C@H](C)c1ccccc1 ZINC001374112393 1157633576 /nfs/dbraw/zinc/63/35/76/1157633576.db2.gz NRAWNBWXXJZMJL-HZPDHXFCSA-N 1 3 305.466 2.430 20 0 DEADHO C[C@H](NC[C@H](C)N(C)C(=O)CC[NH+](C)C)c1ccccc1F ZINC001374277846 1157797573 /nfs/dbraw/zinc/79/75/73/1157797573.db2.gz RMYSFFKDYSILJW-KBPBESRZSA-N 1 3 309.429 2.275 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(F)cc2)CCC1)N(C)C ZINC001393553896 1157862016 /nfs/dbraw/zinc/86/20/16/1157862016.db2.gz BNNQPKDRHLJWER-INIZCTEOSA-N 1 3 321.440 2.294 20 0 DEADHO CN(CCC[N@H+](C)Cc1ccc(F)cc1)C(=O)[C@@H]1CCCN1C ZINC001393612555 1157881594 /nfs/dbraw/zinc/88/15/94/1157881594.db2.gz GAJVGBKNHILLHC-KRWDZBQOSA-N 1 3 321.440 2.200 20 0 DEADHO CN(CCC[N@@H+](C)Cc1ccc(F)cc1)C(=O)[C@@H]1CCCN1C ZINC001393612555 1157881600 /nfs/dbraw/zinc/88/16/00/1157881600.db2.gz GAJVGBKNHILLHC-KRWDZBQOSA-N 1 3 321.440 2.200 20 0 DEADHO C[C@H](NC(=O)C(C)(C)N1CCCCC1)[C@H](C)[NH2+]C/C=C/Cl ZINC001393931364 1158079738 /nfs/dbraw/zinc/07/97/38/1158079738.db2.gz IZZHJRFLDBVSRD-CFYKVZDHSA-N 1 3 315.889 2.486 20 0 DEADHO Cc1cc(C)cc(C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001374963010 1158133749 /nfs/dbraw/zinc/13/37/49/1158133749.db2.gz PQSKLVYEMFTEJB-WMZOPIPTSA-N 1 3 319.493 2.484 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001394000754 1158151794 /nfs/dbraw/zinc/15/17/94/1158151794.db2.gz MFHCUFYRXSJCKF-UONOGXRCSA-N 1 3 309.429 2.149 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21)N(C)C ZINC001394316859 1158410717 /nfs/dbraw/zinc/41/07/17/1158410717.db2.gz CJFBDDFVIBRVPJ-NXOAAHMSSA-N 1 3 323.525 2.447 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21)N(C)C ZINC001394316859 1158410726 /nfs/dbraw/zinc/41/07/26/1158410726.db2.gz CJFBDDFVIBRVPJ-NXOAAHMSSA-N 1 3 323.525 2.447 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1)N(C)C ZINC001375497660 1158772537 /nfs/dbraw/zinc/77/25/37/1158772537.db2.gz JANSJJVPBNBTCN-KSZLIROESA-N 1 3 317.477 2.257 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H](F)CC)C1 ZINC001375538726 1158806806 /nfs/dbraw/zinc/80/68/06/1158806806.db2.gz OARQOBOQAOLNJI-VGWMRTNUSA-N 1 3 313.461 2.093 20 0 DEADHO CN(CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1)C1CCC1 ZINC001375540070 1158807398 /nfs/dbraw/zinc/80/73/98/1158807398.db2.gz XLSVZSVSYOHCCO-SHTZXODSSA-N 1 3 321.490 2.217 20 0 DEADHO CC[C@H](C(=O)N(C)C1CC([NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001394855631 1158815025 /nfs/dbraw/zinc/81/50/25/1158815025.db2.gz YSEKQVWQBDWAGY-UYSNPLJNSA-N 1 3 309.498 2.342 20 0 DEADHO CC[C@@H](F)CN1CCC(C)(CNC(=O)CCC[NH+](C)C)CC1 ZINC001375923124 1158982297 /nfs/dbraw/zinc/98/22/97/1158982297.db2.gz MDLTZTFTQYFQOF-OAHLLOKOSA-N 1 3 315.477 2.295 20 0 DEADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CCc1ccccc1 ZINC001403583638 1163021879 /nfs/dbraw/zinc/02/18/79/1163021879.db2.gz NTEVKMYFKIXAIA-MRXNPFEDSA-N 1 3 317.477 2.150 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001376513036 1159493705 /nfs/dbraw/zinc/49/37/05/1159493705.db2.gz MEAVPSLSBPXXTI-BHYGNILZSA-N 1 3 303.450 2.325 20 0 DEADHO C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)NCc1ccccc1F ZINC001403618333 1163052659 /nfs/dbraw/zinc/05/26/59/1163052659.db2.gz TURGOSRXQNIUDU-GJZGRUSLSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1ccccc1F ZINC001403618333 1163052668 /nfs/dbraw/zinc/05/26/68/1163052668.db2.gz TURGOSRXQNIUDU-GJZGRUSLSA-N 1 3 321.440 2.104 20 0 DEADHO Cc1cc(C[NH2+][C@H](C)CNC(=O)CN2CC[C@@H](C)C2)c(C)s1 ZINC001376804214 1159806253 /nfs/dbraw/zinc/80/62/53/1159806253.db2.gz UOMRBSDYZYKFBR-CHWSQXEVSA-N 1 3 323.506 2.301 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+]CC=C(Cl)Cl ZINC001377103714 1159901398 /nfs/dbraw/zinc/90/13/98/1159901398.db2.gz DWVGEVVGCPTDQZ-LLVKDONJSA-N 1 3 310.269 2.130 20 0 DEADHO Cc1ccccc1C[N@@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001377173070 1160010216 /nfs/dbraw/zinc/01/02/16/1160010216.db2.gz XWDHYOYNFDADSB-UHFFFAOYSA-N 1 3 303.450 2.027 20 0 DEADHO Cc1ccccc1C[N@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001377173070 1160010226 /nfs/dbraw/zinc/01/02/26/1160010226.db2.gz XWDHYOYNFDADSB-UHFFFAOYSA-N 1 3 303.450 2.027 20 0 DEADHO CC[C@@H](C(=O)N1CCC(C)([NH2+]CCC(F)(F)F)CC1)N(C)C ZINC001377300803 1160171038 /nfs/dbraw/zinc/17/10/38/1160171038.db2.gz KMQXYUQCOAEXOF-LBPRGKRZSA-N 1 3 323.403 2.250 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccsc2)C1)N(C)C ZINC001377466692 1160395495 /nfs/dbraw/zinc/39/54/95/1160395495.db2.gz IIPWDYNPQRBJLB-UKRRQHHQSA-N 1 3 309.479 2.026 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccsc2)C1)N(C)C ZINC001377466692 1160395499 /nfs/dbraw/zinc/39/54/99/1160395499.db2.gz IIPWDYNPQRBJLB-UKRRQHHQSA-N 1 3 309.479 2.026 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)CC[NH+](C)C)[C@H]2C)cc1 ZINC001397795548 1160514767 /nfs/dbraw/zinc/51/47/67/1160514767.db2.gz AMITZGMKDRIFOG-WBVHZDCISA-N 1 3 303.450 2.026 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]C(C)C)N(C)C ZINC001377621534 1160599902 /nfs/dbraw/zinc/59/99/02/1160599902.db2.gz XYNJWJQHWAZIMA-BRWVUGGUSA-N 1 3 303.450 2.107 20 0 DEADHO Cc1ccccc1CN(C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001403752792 1163138037 /nfs/dbraw/zinc/13/80/37/1163138037.db2.gz QEQKVDIUOJNDKZ-QGZVFWFLSA-N 1 3 305.466 2.129 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cc(F)ccc1C ZINC001377888836 1160862534 /nfs/dbraw/zinc/86/25/34/1160862534.db2.gz YZBXFTKBJMUIRU-LSDHHAIUSA-N 1 3 323.456 2.459 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]([NH2+]CC1CC2(CCC2)C1)C1CC1)N(C)C ZINC001398380853 1160871299 /nfs/dbraw/zinc/87/12/99/1160871299.db2.gz AYTDUGPCIPJDEZ-IAGOWNOFSA-N 1 3 321.509 2.391 20 0 DEADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2F)C1)C1CCC1 ZINC001398540910 1160960540 /nfs/dbraw/zinc/96/05/40/1160960540.db2.gz QLYROSHZLKEZIC-SHTZXODSSA-N 1 3 319.424 2.047 20 0 DEADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001398749521 1161087274 /nfs/dbraw/zinc/08/72/74/1161087274.db2.gz GWRCSAASXKYFRL-SFHVURJKSA-N 1 3 317.477 2.499 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]Cc1ccc(F)cc1 ZINC001399022947 1161193481 /nfs/dbraw/zinc/19/34/81/1161193481.db2.gz MCEAKCWOJRGLJS-AWEZNQCLSA-N 1 3 321.440 2.294 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)c(C)c1 ZINC001399089185 1161225013 /nfs/dbraw/zinc/22/50/13/1161225013.db2.gz GLMRUTBWMPQBQX-FUHWJXTLSA-N 1 3 319.493 2.484 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001399235739 1161295702 /nfs/dbraw/zinc/29/57/02/1161295702.db2.gz CASGXTZEBOZPMM-QGZVFWFLSA-N 1 3 309.498 2.347 20 0 DEADHO C[C@H](F)CC[N@H+](C)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001399277816 1161316183 /nfs/dbraw/zinc/31/61/83/1161316183.db2.gz BBPJGTJDFYGWFA-GJZGRUSLSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@H](F)CC[N@@H+](C)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001399277816 1161316189 /nfs/dbraw/zinc/31/61/89/1161316189.db2.gz BBPJGTJDFYGWFA-GJZGRUSLSA-N 1 3 313.461 2.142 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[N@H+](C)CC1CCC(C)CC1)N(C)C ZINC001399494677 1161426123 /nfs/dbraw/zinc/42/61/23/1161426123.db2.gz JYNIRVISAORDOY-JCYILVPMSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[N@@H+](C)CC1CCC(C)CC1)N(C)C ZINC001399494677 1161426126 /nfs/dbraw/zinc/42/61/26/1161426126.db2.gz JYNIRVISAORDOY-JCYILVPMSA-N 1 3 311.514 2.447 20 0 DEADHO Cc1cc(C)cc(CN(C)CCNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001399570254 1161459794 /nfs/dbraw/zinc/45/97/94/1161459794.db2.gz PFRUYFCNNJZSNI-UHFFFAOYSA-N 1 3 317.477 2.193 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CC[N@H+](CC2CCC2)C1)N1CCCC1 ZINC001399918016 1161606953 /nfs/dbraw/zinc/60/69/53/1161606953.db2.gz KXQHZAUCXYNFKJ-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CC[N@@H+](CC2CCC2)C1)N1CCCC1 ZINC001399918016 1161606956 /nfs/dbraw/zinc/60/69/56/1161606956.db2.gz KXQHZAUCXYNFKJ-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@@H]1CCCc2ccccc21 ZINC001400074972 1161647385 /nfs/dbraw/zinc/64/73/85/1161647385.db2.gz LPPHDJAXMVYNEI-GOSISDBHSA-N 1 3 317.477 2.454 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@H]1CCCc2ccccc21 ZINC001400074973 1161647635 /nfs/dbraw/zinc/64/76/35/1161647635.db2.gz LPPHDJAXMVYNEI-SFHVURJKSA-N 1 3 317.477 2.454 20 0 DEADHO CC[NH2+][C@@H](CNC(=O)CN(C)CC(C)(C)C)c1ccccc1 ZINC001400111791 1161655578 /nfs/dbraw/zinc/65/55/78/1161655578.db2.gz XNIWCUPZIRAOPE-INIZCTEOSA-N 1 3 305.466 2.431 20 0 DEADHO CC(C)[C@H](C(=O)NCC1C[NH+](CC2CCC(C)CC2)C1)N(C)C ZINC001400525547 1161762481 /nfs/dbraw/zinc/76/24/81/1161762481.db2.gz HLQASYUNEAJDPM-LEOMRAHMSA-N 1 3 323.525 2.447 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[N@H+](C)Cc1cccc(C)c1 ZINC001401422243 1161986326 /nfs/dbraw/zinc/98/63/26/1161986326.db2.gz IIFUFGGXIYDRQG-UHFFFAOYSA-N 1 3 305.466 2.227 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[N@@H+](C)Cc1cccc(C)c1 ZINC001401422243 1161986332 /nfs/dbraw/zinc/98/63/32/1161986332.db2.gz IIFUFGGXIYDRQG-UHFFFAOYSA-N 1 3 305.466 2.227 20 0 DEADHO CN(CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC2CC2)C1)CC(C)(C)C ZINC001401496871 1162020912 /nfs/dbraw/zinc/02/09/12/1162020912.db2.gz PTGBBKVXXQRDFJ-IAGOWNOFSA-N 1 3 321.509 2.297 20 0 DEADHO CN(CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC2CC2)C1)CC(C)(C)C ZINC001401496871 1162020914 /nfs/dbraw/zinc/02/09/14/1162020914.db2.gz PTGBBKVXXQRDFJ-IAGOWNOFSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCCc2ccccc21)N(C)C ZINC001401645862 1162057506 /nfs/dbraw/zinc/05/75/06/1162057506.db2.gz COQQDGSGWJENID-JLSDUUJJSA-N 1 3 317.477 2.499 20 0 DEADHO CC[C@@H](F)CN1CC[C@@]2(CCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001402015579 1162217380 /nfs/dbraw/zinc/21/73/80/1162217380.db2.gz RNGFLEBUNSMFDS-NVXWUHKLSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@@H](F)CN1CC[C@@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001402015579 1162217383 /nfs/dbraw/zinc/21/73/83/1162217383.db2.gz RNGFLEBUNSMFDS-NVXWUHKLSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@H]([NH2+]CCC1CC1)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001402047864 1162227975 /nfs/dbraw/zinc/22/79/75/1162227975.db2.gz PZXNVIYJTBOUPO-XJKSGUPXSA-N 1 3 304.438 2.112 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCC(F)(F)F)C(C)(C)C1 ZINC001403842137 1163244549 /nfs/dbraw/zinc/24/45/49/1163244549.db2.gz TVDXRKBSEKDVEP-GFCCVEGCSA-N 1 3 323.403 2.106 20 0 DEADHO CC[N@H+](CCNC(=O)CN(C)C1CCC1)CC1CC2(CCC2)C1 ZINC001403940070 1163314229 /nfs/dbraw/zinc/31/42/29/1163314229.db2.gz YFHWPKDYNLROSB-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CC[N@@H+](CCNC(=O)CN(C)C1CCC1)CC1CC2(CCC2)C1 ZINC001403940070 1163314232 /nfs/dbraw/zinc/31/42/32/1163314232.db2.gz YFHWPKDYNLROSB-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@@H]1CCN(CC)C1 ZINC001404443913 1163644848 /nfs/dbraw/zinc/64/48/48/1163644848.db2.gz RNWSXHKPGBOMQQ-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001404536804 1163700525 /nfs/dbraw/zinc/70/05/25/1163700525.db2.gz SQPCCSDBKMRSBR-ZDUSSCGKSA-N 1 3 323.403 2.109 20 0 DEADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC001404536804 1163700531 /nfs/dbraw/zinc/70/05/31/1163700531.db2.gz SQPCCSDBKMRSBR-ZDUSSCGKSA-N 1 3 323.403 2.109 20 0 DEADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001405918799 1164335013 /nfs/dbraw/zinc/33/50/13/1164335013.db2.gz ORHNFGARZCBING-KGLIPLIRSA-N 1 3 319.440 2.199 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC2CCCC2)[C@H](C)C1 ZINC001405985261 1164371524 /nfs/dbraw/zinc/37/15/24/1164371524.db2.gz XCGGGEINOJAWCF-NVXWUHKLSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+][C@@H]1CCCc2ccccc21 ZINC001406430369 1164594579 /nfs/dbraw/zinc/59/45/79/1164594579.db2.gz KALBAWHBKAHLLC-CRAIPNDOSA-N 1 3 317.477 2.499 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C[NH2+]CC1CCCC1)C1CC1)N(C)C ZINC001406777832 1164826604 /nfs/dbraw/zinc/82/66/04/1164826604.db2.gz NLJPXEILKBFCBW-SJORKVTESA-N 1 3 309.498 2.247 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]Cc2csc(C)c2)CC1)N(C)C ZINC001406937151 1164887614 /nfs/dbraw/zinc/88/76/14/1164887614.db2.gz KYIRTEJTHWZULE-CQSZACIVSA-N 1 3 309.479 2.135 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)C)CCN1C(=O)CN1CCCC1 ZINC001407080518 1164959115 /nfs/dbraw/zinc/95/91/15/1164959115.db2.gz CZKIZMYFZYPQRA-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001407513662 1165177810 /nfs/dbraw/zinc/17/78/10/1165177810.db2.gz AYRWUBPGOMVRCI-IAGOWNOFSA-N 1 3 309.498 2.201 20 0 DEADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C(C)(C)CC)CC1 ZINC001414551938 1165874686 /nfs/dbraw/zinc/87/46/86/1165874686.db2.gz NSQDOOCVBAYHJS-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C(C)(C)CC)CC1 ZINC001414551938 1165874688 /nfs/dbraw/zinc/87/46/88/1165874688.db2.gz NSQDOOCVBAYHJS-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H]1CC[N@H+](CC(=O)N2CCN(C3CCC(C)CC3)CC2)C1 ZINC001417645121 1167106871 /nfs/dbraw/zinc/10/68/71/1167106871.db2.gz HWLXJBDQKNFSJR-AQFXKWCLSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C3CCC(C)CC3)CC2)C1 ZINC001417645121 1167106874 /nfs/dbraw/zinc/10/68/74/1167106874.db2.gz HWLXJBDQKNFSJR-AQFXKWCLSA-N 1 3 307.482 2.051 20 0 DEADHO CC1(C)CCCN(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001417729335 1167172267 /nfs/dbraw/zinc/17/22/67/1167172267.db2.gz ZPAUITNELNRISN-HZPDHXFCSA-N 1 3 307.482 2.242 20 0 DEADHO CC1(C)CCCN(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001417729335 1167172271 /nfs/dbraw/zinc/17/22/71/1167172271.db2.gz ZPAUITNELNRISN-HZPDHXFCSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)C[C@H]2CC[N@@H+]2CCC2CCCC2)C1 ZINC001417759092 1167193013 /nfs/dbraw/zinc/19/30/13/1167193013.db2.gz QMAFXMJJHMKFKA-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)C[C@H]2CC[N@H+]2CCC2CCCC2)C1 ZINC001417759092 1167193020 /nfs/dbraw/zinc/19/30/20/1167193020.db2.gz QMAFXMJJHMKFKA-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO Cc1cccc(Cl)c1CN[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001418043557 1167379842 /nfs/dbraw/zinc/37/98/42/1167379842.db2.gz HRWFUDFCWGUWNC-AWEZNQCLSA-N 1 3 323.868 2.291 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@@H](NCc2ccns2)C1)[NH+](CC)CC ZINC001418104562 1167412319 /nfs/dbraw/zinc/41/23/19/1167412319.db2.gz QZGSCKNGCZNWCW-VNHYZAJKSA-N 1 3 324.494 2.000 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001418120959 1167422352 /nfs/dbraw/zinc/42/23/52/1167422352.db2.gz COWRNHDMSVKVNH-DLBZAZTESA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001418120959 1167422355 /nfs/dbraw/zinc/42/23/55/1167422355.db2.gz COWRNHDMSVKVNH-DLBZAZTESA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C)N1CCCCC1 ZINC001418161359 1167452123 /nfs/dbraw/zinc/45/21/23/1167452123.db2.gz MFVIIMHFSZWLCM-ARFHVFGLSA-N 1 3 309.498 2.342 20 0 DEADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)NCc1ccsc1 ZINC001418278942 1167542588 /nfs/dbraw/zinc/54/25/88/1167542588.db2.gz AWLPXMZZCZQVPY-CYBMUJFWSA-N 1 3 309.479 2.074 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+][C@@H](C)CNC(=O)CN(C)C(C)C)c1 ZINC001418319501 1167573254 /nfs/dbraw/zinc/57/32/54/1167573254.db2.gz RNZJQICCKJCILT-JKSUJKDBSA-N 1 3 305.466 2.491 20 0 DEADHO Cc1cccc([C@H](C)[NH2+][C@@H](C)CNC(=O)CN(C)C(C)C)c1 ZINC001418319498 1167573553 /nfs/dbraw/zinc/57/35/53/1167573553.db2.gz RNZJQICCKJCILT-HOTGVXAUSA-N 1 3 305.466 2.491 20 0 DEADHO CCC(CC)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001418335047 1167583700 /nfs/dbraw/zinc/58/37/00/1167583700.db2.gz YPFRIKJRHZSVFM-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](CC[NH+](C)C)C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC001418356415 1167590456 /nfs/dbraw/zinc/59/04/56/1167590456.db2.gz LIQIUQLSPVCQNM-QFBILLFUSA-N 1 3 317.477 2.355 20 0 DEADHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccc(F)cc1 ZINC001418417704 1167640985 /nfs/dbraw/zinc/64/09/85/1167640985.db2.gz TVMZQCQKAWXIEW-HUUCEWRRSA-N 1 3 321.440 2.152 20 0 DEADHO C[C@H](c1ccc(F)cc1)N(C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001418493097 1167711137 /nfs/dbraw/zinc/71/11/37/1167711137.db2.gz FZWWHOHGFFYYLA-LSDHHAIUSA-N 1 3 321.440 2.277 20 0 DEADHO C[C@H](c1ccc(F)cc1)N(C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001418493097 1167711147 /nfs/dbraw/zinc/71/11/47/1167711147.db2.gz FZWWHOHGFFYYLA-LSDHHAIUSA-N 1 3 321.440 2.277 20 0 DEADHO CN(CC(=O)NCC[N@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1)CC(C)(C)C ZINC001418493891 1167715032 /nfs/dbraw/zinc/71/50/32/1167715032.db2.gz HWDNLXPIMOZJTI-IXDOHACOSA-N 1 3 323.525 2.449 20 0 DEADHO CN(CC(=O)NCC[N@@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1)CC(C)(C)C ZINC001418493891 1167715041 /nfs/dbraw/zinc/71/50/41/1167715041.db2.gz HWDNLXPIMOZJTI-IXDOHACOSA-N 1 3 323.525 2.449 20 0 DEADHO C[C@H](c1cccc(Cl)c1)N(C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001418519155 1167756128 /nfs/dbraw/zinc/75/61/28/1167756128.db2.gz JASFUOLRJSVKJL-HIFRSBDPSA-N 1 3 323.868 2.401 20 0 DEADHO C[C@H](c1cccc(Cl)c1)N(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001418519155 1167756139 /nfs/dbraw/zinc/75/61/39/1167756139.db2.gz JASFUOLRJSVKJL-HIFRSBDPSA-N 1 3 323.868 2.401 20 0 DEADHO CC[C@H](C)C[NH+]1CC(CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001419032905 1168147670 /nfs/dbraw/zinc/14/76/70/1168147670.db2.gz XCFCXIYCRJLXHM-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001419515444 1168562665 /nfs/dbraw/zinc/56/26/65/1168562665.db2.gz GGOREIAFGKCHGD-FUBFTIANSA-N 1 3 315.461 2.277 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001419601947 1168653360 /nfs/dbraw/zinc/65/33/60/1168653360.db2.gz AXXKLMRRRDEIEL-QGZVFWFLSA-N 1 3 303.450 2.109 20 0 DEADHO C[C@@H](C[NH2+]Cc1cccc(Cl)c1)N(C)C(=O)[C@H]1CCCN1C ZINC001419698234 1168806800 /nfs/dbraw/zinc/80/68/00/1168806800.db2.gz IOJNCXFVCDLJLK-XJKSGUPXSA-N 1 3 323.868 2.371 20 0 DEADHO Cc1ccc(F)c(CN[C@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001419890459 1168894126 /nfs/dbraw/zinc/89/41/26/1168894126.db2.gz BTAZRPSINWMQEH-HUUCEWRRSA-N 1 3 321.440 2.070 20 0 DEADHO Cc1ccc(F)c(CN[C@H](C)CNC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001419890459 1168894128 /nfs/dbraw/zinc/89/41/28/1168894128.db2.gz BTAZRPSINWMQEH-HUUCEWRRSA-N 1 3 321.440 2.070 20 0 DEADHO CC(C)[NH2+][C@H](C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001420134625 1169186535 /nfs/dbraw/zinc/18/65/35/1169186535.db2.gz WSFVZWMOVZWQPK-CZUORRHYSA-N 1 3 301.450 2.092 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+][C@H](C)c1ccccc1)N(C)C ZINC001420338476 1169374101 /nfs/dbraw/zinc/37/41/01/1169374101.db2.gz IPFAVPMEBDEKRE-BFYDXBDKSA-N 1 3 305.466 2.428 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CC1CCCC1 ZINC001420681129 1169865880 /nfs/dbraw/zinc/86/58/80/1169865880.db2.gz SMOBBMACMSAUIH-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)CC1CCCC1 ZINC001420681129 1169865882 /nfs/dbraw/zinc/86/58/82/1169865882.db2.gz SMOBBMACMSAUIH-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[N@H+](CCC(C)(C)C)C2CC2)C1 ZINC001420680626 1169866124 /nfs/dbraw/zinc/86/61/24/1169866124.db2.gz JARJGZFGZUORJH-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[N@@H+](CCC(C)(C)C)C2CC2)C1 ZINC001420680626 1169866128 /nfs/dbraw/zinc/86/61/28/1169866128.db2.gz JARJGZFGZUORJH-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccccc1)C1CC1)N(C)C ZINC001420769067 1171134362 /nfs/dbraw/zinc/13/43/62/1171134362.db2.gz MLRPVBVNXVSUMW-ZWKOTPCHSA-N 1 3 317.477 2.257 20 0 DEADHO C[C@H](NC[C@H](NC(=O)CC[NH+](C)C)C1CC1)c1ccccc1F ZINC001420769867 1171135453 /nfs/dbraw/zinc/13/54/53/1171135453.db2.gz OMAQUJDIMNYPAY-GUYCJALGSA-N 1 3 321.440 2.323 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1([NH2+]CCc2ccccc2)CC1)N(C)C ZINC001420950798 1171375237 /nfs/dbraw/zinc/37/52/37/1171375237.db2.gz DLXMEZXUUFQNAW-KRWDZBQOSA-N 1 3 317.477 2.054 20 0 DEADHO C[NH+](C)Cc1cccc(C(=O)NCC2(NC/C=C/Cl)CC2)c1 ZINC001421008163 1171423745 /nfs/dbraw/zinc/42/37/45/1171423745.db2.gz WZVLGLCLSXBIHL-RUDMXATFSA-N 1 3 321.852 2.353 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2)C[C@@H]1C ZINC001421102896 1171494797 /nfs/dbraw/zinc/49/47/97/1171494797.db2.gz KFIIKGCVPZNFMQ-FUHWJXTLSA-N 1 3 317.477 2.498 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCN(C/C=C\Cl)CC1)[NH+](C)C ZINC001421838924 1172032836 /nfs/dbraw/zinc/03/28/36/1172032836.db2.gz YEKFLOLDUPSNMB-IIQYJXCPSA-N 1 3 315.889 2.296 20 0 DEADHO Cc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)CN2CC[C@H](C)C2)c1 ZINC001421935515 1172151023 /nfs/dbraw/zinc/15/10/23/1172151023.db2.gz BMYYWOSBDJANBG-IRXDYDNUSA-N 1 3 317.477 2.273 20 0 DEADHO CN(CC[N@H+](C)[C@@H]1CCc2ccccc21)C(=O)[C@H]1CCCN1C ZINC001422182803 1172378295 /nfs/dbraw/zinc/37/82/95/1172378295.db2.gz OIHHBGDRLJSSML-QZTJIDSGSA-N 1 3 315.461 2.158 20 0 DEADHO CN(CC[N@@H+](C)[C@@H]1CCc2ccccc21)C(=O)[C@H]1CCCN1C ZINC001422182803 1172378302 /nfs/dbraw/zinc/37/83/02/1172378302.db2.gz OIHHBGDRLJSSML-QZTJIDSGSA-N 1 3 315.461 2.158 20 0 DEADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]CCc1cccs1 ZINC001422319128 1172486521 /nfs/dbraw/zinc/48/65/21/1172486521.db2.gz HFDUOERKNDDVGG-KBPBESRZSA-N 1 3 323.506 2.258 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[N@H+](C)CCC1CC1 ZINC001422520611 1172672002 /nfs/dbraw/zinc/67/20/02/1172672002.db2.gz OEODUZUGGFYWMB-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[N@@H+](C)CCC1CC1 ZINC001422520611 1172672007 /nfs/dbraw/zinc/67/20/07/1172672007.db2.gz OEODUZUGGFYWMB-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001422620127 1172768707 /nfs/dbraw/zinc/76/87/07/1172768707.db2.gz ZGHVPHGNDXWHFG-CVEARBPZSA-N 1 3 305.466 2.491 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CC1CCCC1 ZINC001422838295 1172881764 /nfs/dbraw/zinc/88/17/64/1172881764.db2.gz SJJCGHOGVNDKOX-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC1CCCC1 ZINC001422838295 1172881768 /nfs/dbraw/zinc/88/17/68/1172881768.db2.gz SJJCGHOGVNDKOX-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](CN(C)[C@H](C)c1cccc(F)c1)NC(=O)CC[NH+](C)C ZINC001422884492 1172896225 /nfs/dbraw/zinc/89/62/25/1172896225.db2.gz KMGFRZNGKKLQTK-ZIAGYGMSSA-N 1 3 309.429 2.275 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC001423330773 1173250307 /nfs/dbraw/zinc/25/03/07/1173250307.db2.gz ZUUZQTJREYBDFC-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001423330773 1173250323 /nfs/dbraw/zinc/25/03/23/1173250323.db2.gz ZUUZQTJREYBDFC-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]CC1CCC1)C1CCCC1 ZINC001423539667 1173394458 /nfs/dbraw/zinc/39/44/58/1173394458.db2.gz ZEOPSEIQSWMGTO-KRWDZBQOSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@@H](F)CNC1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC001424187222 1173690508 /nfs/dbraw/zinc/69/05/08/1173690508.db2.gz NGCORILDSXHLHM-SOUVJXGZSA-N 1 3 313.461 2.093 20 0 DEADHO CC[C@@H](F)CNC1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC001424187222 1173690511 /nfs/dbraw/zinc/69/05/11/1173690511.db2.gz NGCORILDSXHLHM-SOUVJXGZSA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC(C)([NH2+]C/C=C/Cl)CC1)N(C)C ZINC001424477035 1173803371 /nfs/dbraw/zinc/80/33/71/1173803371.db2.gz SPPLMRBLQPGATG-MRZGDXHCSA-N 1 3 315.889 2.296 20 0 DEADHO C[C@@H](NCc1ccns1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001424828394 1173967121 /nfs/dbraw/zinc/96/71/21/1173967121.db2.gz SZDAQDACRKVUMA-OLZOCXBDSA-N 1 3 324.494 2.000 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)C(C)C)c(C)n1 ZINC001424858173 1173993893 /nfs/dbraw/zinc/99/38/93/1173993893.db2.gz PDJDEQQQIYVHIP-HUUCEWRRSA-N 1 3 320.481 2.021 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]CC1CC(C)C1)C(C)(C)C ZINC001426158791 1174623273 /nfs/dbraw/zinc/62/32/73/1174623273.db2.gz BXFMZBDMXULTEK-GPANFISMSA-N 1 3 311.514 2.493 20 0 DEADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(-n3cncn3)c(C)c2)C1 ZINC001434501518 1178687326 /nfs/dbraw/zinc/68/73/26/1178687326.db2.gz WDXBNNCAZKNNJV-KRWDZBQOSA-N 1 3 313.449 2.397 20 0 DEADHO C[C@@H](NCCF)[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001436662630 1179172830 /nfs/dbraw/zinc/17/28/30/1179172830.db2.gz DVPVSJMKFTUEFK-CVEARBPZSA-N 1 3 313.461 2.191 20 0 DEADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](F)CC ZINC001436934703 1179308595 /nfs/dbraw/zinc/30/85/95/1179308595.db2.gz FJDDDXRSGABGEB-HNSVSWJLSA-N 1 3 313.461 2.188 20 0 DEADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](F)CC ZINC001436934703 1179308601 /nfs/dbraw/zinc/30/86/01/1179308601.db2.gz FJDDDXRSGABGEB-HNSVSWJLSA-N 1 3 313.461 2.188 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCc1ccccc1 ZINC001437148193 1179486569 /nfs/dbraw/zinc/48/65/69/1179486569.db2.gz MNXMIQDDNOTWCX-AEFFLSMTSA-N 1 3 317.477 2.198 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCc1ccccc1F ZINC001437150296 1179491830 /nfs/dbraw/zinc/49/18/30/1179491830.db2.gz GHHWCDVXFIKVKO-WMLDXEAASA-N 1 3 321.440 2.294 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCc1ccccc1F ZINC001437150296 1179491875 /nfs/dbraw/zinc/49/18/75/1179491875.db2.gz GHHWCDVXFIKVKO-WMLDXEAASA-N 1 3 321.440 2.294 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001437239643 1179632324 /nfs/dbraw/zinc/63/23/24/1179632324.db2.gz ACUZCJFIIVEVNW-INIZCTEOSA-N 1 3 305.466 2.240 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001437290740 1179698444 /nfs/dbraw/zinc/69/84/44/1179698444.db2.gz SDDFRRMJRPADLW-KRWDZBQOSA-N 1 3 303.450 2.026 20 0 DEADHO CN(CC(=O)NCC1C[NH+](CCCC2CCC2)C1)C1CCC1 ZINC001438128837 1180207826 /nfs/dbraw/zinc/20/78/26/1180207826.db2.gz OMMWSDDGMOEHCM-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCc1cccs1 ZINC001438332985 1180351233 /nfs/dbraw/zinc/35/12/33/1180351233.db2.gz MSSQJTRLJFXDDG-HUUCEWRRSA-N 1 3 323.506 2.117 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN(C)Cc1ccc(F)cc1 ZINC001439387108 1181064755 /nfs/dbraw/zinc/06/47/55/1181064755.db2.gz MYEAZTZEOCBDCB-AWEZNQCLSA-N 1 3 309.429 2.104 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN(C)Cc1ccc(F)cc1 ZINC001439387108 1181064758 /nfs/dbraw/zinc/06/47/58/1181064758.db2.gz MYEAZTZEOCBDCB-AWEZNQCLSA-N 1 3 309.429 2.104 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+][C@@H]2CCc3ccccc32)CC1)N(C)C ZINC001439619168 1181171939 /nfs/dbraw/zinc/17/19/39/1181171939.db2.gz AMENOHMIOAGBPH-IAGOWNOFSA-N 1 3 315.461 2.253 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]Cc2ccc(C)cc2C)CC1)N(C)C ZINC001439621006 1181172994 /nfs/dbraw/zinc/17/29/94/1181172994.db2.gz KAWDROFIGFUUJW-QGZVFWFLSA-N 1 3 317.477 2.382 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+][C@H]2CCc3ccccc32)CC1)N(C)C ZINC001439665749 1181191594 /nfs/dbraw/zinc/19/15/94/1181191594.db2.gz AMENOHMIOAGBPH-IRXDYDNUSA-N 1 3 315.461 2.253 20 0 DEADHO CC[C@@H](F)CNC1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001440314910 1181443951 /nfs/dbraw/zinc/44/39/51/1181443951.db2.gz NCDPXLJUUIVWEG-CABCVRRESA-N 1 3 313.461 2.237 20 0 DEADHO CC[C@@H](F)CNC1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CCC1 ZINC001440314910 1181443953 /nfs/dbraw/zinc/44/39/53/1181443953.db2.gz NCDPXLJUUIVWEG-CABCVRRESA-N 1 3 313.461 2.237 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001440325121 1181449242 /nfs/dbraw/zinc/44/92/42/1181449242.db2.gz WZVICFFJADDEGG-IYBDPMFKSA-N 1 3 318.465 2.325 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC2)C1 ZINC001440362913 1181466009 /nfs/dbraw/zinc/46/60/09/1181466009.db2.gz PHYHUHUMMXVKRV-OTRWWLKZSA-N 1 3 307.482 2.144 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCCN(C/C=C\Cl)CC1 ZINC001440396351 1181480327 /nfs/dbraw/zinc/48/03/27/1181480327.db2.gz HWYFMHOPZBSRTH-ZHMISCPASA-N 1 3 315.889 2.442 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCCN(C/C=C\Cl)CC1 ZINC001440396351 1181480330 /nfs/dbraw/zinc/48/03/30/1181480330.db2.gz HWYFMHOPZBSRTH-ZHMISCPASA-N 1 3 315.889 2.442 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001440522355 1181578701 /nfs/dbraw/zinc/57/87/01/1181578701.db2.gz REEJYBFJNBCFIG-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001440522355 1181578709 /nfs/dbraw/zinc/57/87/09/1181578709.db2.gz REEJYBFJNBCFIG-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+]CC1CC(C)C1)N(C)C ZINC001440882403 1181741573 /nfs/dbraw/zinc/74/15/73/1181741573.db2.gz WRLWILUIYVECJF-UYSNPLJNSA-N 1 3 311.514 2.447 20 0 DEADHO Cc1ccccc1C[N@@H+](C)[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001440969629 1181804944 /nfs/dbraw/zinc/80/49/44/1181804944.db2.gz MKQMRNHWCDEODQ-NVXWUHKLSA-N 1 3 317.477 2.273 20 0 DEADHO Cc1ccccc1C[N@H+](C)[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001440969629 1181804951 /nfs/dbraw/zinc/80/49/51/1181804951.db2.gz MKQMRNHWCDEODQ-NVXWUHKLSA-N 1 3 317.477 2.273 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC12CC[NH+](CC1CCC1)CC2 ZINC001441154608 1181874174 /nfs/dbraw/zinc/87/41/74/1181874174.db2.gz PAADHVPIXWWBKI-MRXNPFEDSA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)C1(C(=O)NC[C@@H]([NH2+]CC2CC(C)(C)C2)C2CC2)CCC1 ZINC001441193935 1181890760 /nfs/dbraw/zinc/89/07/60/1181890760.db2.gz AGTXSBOZFJNZCD-MRXNPFEDSA-N 1 3 321.509 2.391 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@H+](CCC1CC1)C2 ZINC001441333835 1181947352 /nfs/dbraw/zinc/94/73/52/1181947352.db2.gz BOMLTMDMWXQHJA-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@@H+](CCC1CC1)C2 ZINC001441333835 1181947356 /nfs/dbraw/zinc/94/73/56/1181947356.db2.gz BOMLTMDMWXQHJA-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001441597020 1182082730 /nfs/dbraw/zinc/08/27/30/1182082730.db2.gz XIJUYPJMQHXENS-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)C[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@@H](C)C1 ZINC001441717151 1182136558 /nfs/dbraw/zinc/13/65/58/1182136558.db2.gz OLLDDCJNCBUIQA-BCDMZGRMSA-N 1 3 321.509 2.057 20 0 DEADHO CC(C)C[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@@H](C)C1 ZINC001441717151 1182136560 /nfs/dbraw/zinc/13/65/60/1182136560.db2.gz OLLDDCJNCBUIQA-BCDMZGRMSA-N 1 3 321.509 2.057 20 0 DEADHO C[C@@H]1[C@H](NCc2ccccc2Cl)CCN1C(=O)CC[NH+](C)C ZINC001441826592 1182179209 /nfs/dbraw/zinc/17/92/09/1182179209.db2.gz QCQREKFGGVDSKS-CZUORRHYSA-N 1 3 323.868 2.371 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]Cc2cccc(F)c2)C[C@@H]1C ZINC001441838149 1182205961 /nfs/dbraw/zinc/20/59/61/1182205961.db2.gz PVZUFVSBOVTXOI-YOEHRIQHSA-N 1 3 321.440 2.245 20 0 DEADHO C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCc1ccsc1 ZINC001441852274 1182215834 /nfs/dbraw/zinc/21/58/34/1182215834.db2.gz ADVRZZQQZGHZJB-UKRRQHHQSA-N 1 3 309.479 2.217 20 0 DEADHO C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCc1ccsc1 ZINC001441852274 1182215839 /nfs/dbraw/zinc/21/58/39/1182215839.db2.gz ADVRZZQQZGHZJB-UKRRQHHQSA-N 1 3 309.479 2.217 20 0 DEADHO CC(C)CC[NH2+][C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001442075195 1182309544 /nfs/dbraw/zinc/30/95/44/1182309544.db2.gz OHMDSAMMCSXLFN-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CC1CCN(CC(=O)N(C)C2CC([NH2+]C/C=C\Cl)C2)CC1 ZINC001442257618 1182393727 /nfs/dbraw/zinc/39/37/27/1182393727.db2.gz ZHPIYZXXIFYRQD-UTCJRWHESA-N 1 3 313.873 2.050 20 0 DEADHO CC[C@H](C)C[NH2+]C1(CNC(=O)Cc2nc[nH]c2C)CCCC1 ZINC001444538692 1183440515 /nfs/dbraw/zinc/44/05/15/1183440515.db2.gz XLWNUUSJRAPVCX-ZDUSSCGKSA-N 1 3 306.454 2.325 20 0 DEADHO C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]1CNC/C(Cl)=C\Cl ZINC001445114906 1183781334 /nfs/dbraw/zinc/78/13/34/1183781334.db2.gz PYTZNWNIDNMGDP-NUBPSFNZSA-N 1 3 322.280 2.132 20 0 DEADHO C[C@H](C[NH2+][C@H](C)c1ccccc1F)NC(=O)C1(N(C)C)CCC1 ZINC001445387649 1183857877 /nfs/dbraw/zinc/85/78/77/1183857877.db2.gz GJLYOMLRYPFZAM-ZIAGYGMSSA-N 1 3 321.440 2.465 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)c1cccc(F)c1 ZINC001445504795 1183887823 /nfs/dbraw/zinc/88/78/23/1183887823.db2.gz QIXZPGOGOSNBFG-KGLIPLIRSA-N 1 3 309.429 2.321 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CC1CCCC1 ZINC001445714223 1184009296 /nfs/dbraw/zinc/00/92/96/1184009296.db2.gz BRMFPHOBYPIICJ-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CC1CCCC1 ZINC001445714223 1184009302 /nfs/dbraw/zinc/00/93/02/1184009302.db2.gz BRMFPHOBYPIICJ-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H](C(=O)NC[C@@H]1CCN1CCC1CC1)[NH+]1CCCCCC1 ZINC001446095307 1184224005 /nfs/dbraw/zinc/22/40/05/1184224005.db2.gz GMUWBAHRLJPFTI-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC([N@H+](CCCF)CC2CC2)CC1 ZINC001446305706 1184302420 /nfs/dbraw/zinc/30/24/20/1184302420.db2.gz PBYGKSMFEXTOOM-UHFFFAOYSA-N 1 3 322.428 2.015 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC([N@@H+](CCCF)CC2CC2)CC1 ZINC001446305706 1184302424 /nfs/dbraw/zinc/30/24/24/1184302424.db2.gz PBYGKSMFEXTOOM-UHFFFAOYSA-N 1 3 322.428 2.015 20 0 DEADHO CCc1cccc(CN2CC[C@@](C)(NC(=O)CC[NH+](C)C)C2)c1 ZINC001446553974 1184409987 /nfs/dbraw/zinc/40/99/87/1184409987.db2.gz DDJNHIWPZNZYOU-LJQANCHMSA-N 1 3 317.477 2.281 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001446944369 1184586934 /nfs/dbraw/zinc/58/69/34/1184586934.db2.gz VTILJVNVOQEUJO-RDJZCZTQSA-N 1 3 323.525 2.449 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CC2)CC1(C)C)N1CCCC1 ZINC001448398827 1185201746 /nfs/dbraw/zinc/20/17/46/1185201746.db2.gz QNPXSJFMONLSTK-SJORKVTESA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CC2)CC1(C)C)N1CCCC1 ZINC001448398827 1185201755 /nfs/dbraw/zinc/20/17/55/1185201755.db2.gz QNPXSJFMONLSTK-SJORKVTESA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)CCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001448530915 1185278642 /nfs/dbraw/zinc/27/86/42/1185278642.db2.gz VKPUVFXVELZNDZ-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001448530915 1185278649 /nfs/dbraw/zinc/27/86/49/1185278649.db2.gz VKPUVFXVELZNDZ-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)cc2)[C@H]1C ZINC001448966876 1185464305 /nfs/dbraw/zinc/46/43/05/1185464305.db2.gz BSDOOBQIMHWPJH-RHSMWYFYSA-N 1 3 321.440 2.245 20 0 DEADHO CC[C@H](F)CN1CC[C@]2(NC(=O)CC[N@H+](C)CC)CCC[C@@H]12 ZINC001449013535 1185487121 /nfs/dbraw/zinc/48/71/21/1185487121.db2.gz LTIFFEMHKCTNOQ-ZMSDIMECSA-N 1 3 313.461 2.190 20 0 DEADHO CC[C@H](F)CN1CC[C@]2(NC(=O)CC[N@@H+](C)CC)CCC[C@@H]12 ZINC001449013535 1185487125 /nfs/dbraw/zinc/48/71/25/1185487125.db2.gz LTIFFEMHKCTNOQ-ZMSDIMECSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001370565699 1149810732 /nfs/dbraw/zinc/81/07/32/1149810732.db2.gz QAVQUDTZGHVOIA-KBRIMQKVSA-N 1 3 321.440 2.347 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccc(C)cc2)C1)N(C)C ZINC001370710945 1149828680 /nfs/dbraw/zinc/82/86/80/1149828680.db2.gz HPRJGALEZZPMCC-FGTMMUONSA-N 1 3 317.477 2.115 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001407039526 1164937724 /nfs/dbraw/zinc/93/77/24/1164937724.db2.gz LJRNHPBNZFODCD-GOSISDBHSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001407039526 1164937732 /nfs/dbraw/zinc/93/77/32/1164937732.db2.gz LJRNHPBNZFODCD-GOSISDBHSA-N 1 3 307.482 2.051 20 0 DEADHO [NH3+][C@H]1CCCN(Cc2ccc(N3CCC(O)CC3)s2)CC1 ZINC001205103075 782498681 /nfs/dbraw/zinc/49/86/81/782498681.db2.gz YCBPFINGIGLDHS-ZDUSSCGKSA-N 1 3 309.479 2.022 20 0 DEADHO CC[C@H](F)CNCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127357478 782799010 /nfs/dbraw/zinc/79/90/10/782799010.db2.gz ZBVFEXSPUFZTBM-GJZGRUSLSA-N 1 3 313.461 2.095 20 0 DEADHO CC[C@H](F)CNCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127357478 782799012 /nfs/dbraw/zinc/79/90/12/782799012.db2.gz ZBVFEXSPUFZTBM-GJZGRUSLSA-N 1 3 313.461 2.095 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CCCF)CC(C)(C)C1 ZINC001089549418 783201028 /nfs/dbraw/zinc/20/10/28/783201028.db2.gz YBMXJFRACYCWGD-AWEZNQCLSA-N 1 3 324.444 2.227 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CCCF)CC(C)(C)C1 ZINC001089549418 783201037 /nfs/dbraw/zinc/20/10/37/783201037.db2.gz YBMXJFRACYCWGD-AWEZNQCLSA-N 1 3 324.444 2.227 20 0 DEADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C[NH2+]CC2CCCC2)C1 ZINC001087219074 777367333 /nfs/dbraw/zinc/36/73/33/777367333.db2.gz HCAABXGUEAIGNM-PBHICJAKSA-N 1 3 318.465 2.359 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCC2)C1)N(C)C ZINC001104641401 777989370 /nfs/dbraw/zinc/98/93/70/777989370.db2.gz QDOXSTHSLRDCRO-KBAYOESNSA-N 1 3 323.525 2.447 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC2CC2)C1 ZINC001104937529 778264367 /nfs/dbraw/zinc/26/43/67/778264367.db2.gz CRDMHOVMSKAAAL-NVXWUHKLSA-N 1 3 309.498 2.203 20 0 DEADHO CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001112524381 778482919 /nfs/dbraw/zinc/48/29/19/778482919.db2.gz LCVQNBOXNGSURB-JZXOWHBKSA-N 1 3 309.498 2.201 20 0 DEADHO CCCN(C)CC(=O)NCCC1(C[NH2+]CCCCCF)CC1 ZINC001167836071 778693653 /nfs/dbraw/zinc/69/36/53/778693653.db2.gz POKDUECIEMNUBN-UHFFFAOYSA-N 1 3 315.477 2.344 20 0 DEADHO C[C@@H]1C[C@@H](NCCC(=O)N(C)C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168008252 779287414 /nfs/dbraw/zinc/28/74/14/779287414.db2.gz DIBMMKJOWPGHBA-ALXJQNPVSA-N 1 3 317.477 2.496 20 0 DEADHO C[C@@H]1C[C@@H](NCCC(=O)N(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168008252 779287420 /nfs/dbraw/zinc/28/74/20/779287420.db2.gz DIBMMKJOWPGHBA-ALXJQNPVSA-N 1 3 317.477 2.496 20 0 DEADHO CCN(CC)CC(=O)N1CCC([C@H]2[N@H+](CC)CC23CCC3)CC1 ZINC001105396928 779387520 /nfs/dbraw/zinc/38/75/20/779387520.db2.gz ZDFOODQJPYLHBU-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CCN(CC)CC(=O)N1CCC([C@H]2[N@@H+](CC)CC23CCC3)CC1 ZINC001105396928 779387523 /nfs/dbraw/zinc/38/75/23/779387523.db2.gz ZDFOODQJPYLHBU-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@@H]2C1 ZINC001088212701 779775430 /nfs/dbraw/zinc/77/54/30/779775430.db2.gz IOPDDUWWFDLYGN-IXDOHACOSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@@H]2C1 ZINC001088212701 779775434 /nfs/dbraw/zinc/77/54/34/779775434.db2.gz IOPDDUWWFDLYGN-IXDOHACOSA-N 1 3 307.482 2.051 20 0 DEADHO CN(C)C1(C(=O)N2CCC([N@H+](C)CC3CCC3)CC2)CCC1 ZINC000985470990 779854898 /nfs/dbraw/zinc/85/48/98/779854898.db2.gz RRZHBIYXTOJFMR-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)C1(C(=O)N2CCC([N@@H+](C)CC3CCC3)CC2)CCC1 ZINC000985470990 779854902 /nfs/dbraw/zinc/85/49/02/779854902.db2.gz RRZHBIYXTOJFMR-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)C[NH2+][C@@H]1CCCCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001088325916 779956237 /nfs/dbraw/zinc/95/62/37/779956237.db2.gz BRWNUTHRWDUPRB-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](Cc1ccc(Cl)cc1)N1CCN(CC[NH+](C)C)CC1 ZINC001168171048 780349914 /nfs/dbraw/zinc/34/99/14/780349914.db2.gz UHBDRPUVRDOFOT-HNNXBMFYSA-N 1 3 309.885 2.450 20 0 DEADHO CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)[C@H]1C ZINC001088693193 780830142 /nfs/dbraw/zinc/83/01/42/780830142.db2.gz OTERFDOCQFNBOM-IKGGRYGDSA-N 1 3 309.498 2.486 20 0 DEADHO CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)[C@H]1C ZINC001088693193 780830151 /nfs/dbraw/zinc/83/01/51/780830151.db2.gz OTERFDOCQFNBOM-IKGGRYGDSA-N 1 3 309.498 2.486 20 0 DEADHO Cc1cc(C)nc(N2CCN(C3CCC([NH+](C)C)CC3)CC2)n1 ZINC001168322556 780838147 /nfs/dbraw/zinc/83/81/47/780838147.db2.gz FBMLWWNYHUTIJM-UHFFFAOYSA-N 1 3 317.481 2.088 20 0 DEADHO O[C@H]1CCc2ccccc2[C@H]1[NH2+]C1CCN(CC2CC2)CC1 ZINC001168359929 780950677 /nfs/dbraw/zinc/95/06/77/780950677.db2.gz IGBGQZJKZLYCRH-RBUKOAKNSA-N 1 3 300.446 2.499 20 0 DEADHO CC(C)[C@H]([NH2+]C1CCN(CC2CC2)CC1)C(=O)NC(C)(C)C ZINC001168365837 781060916 /nfs/dbraw/zinc/06/09/16/781060916.db2.gz XWDDJGPIVFTBCN-INIZCTEOSA-N 1 3 309.498 2.390 20 0 DEADHO N[C@H]([C@@H]1CCC[N@@H+](C2CCN(CC3CC3)CC2)C1)C(F)(F)F ZINC001168368338 781526830 /nfs/dbraw/zinc/52/68/30/781526830.db2.gz IOTJVSPBNUJGMA-UKRRQHHQSA-N 1 3 319.415 2.462 20 0 DEADHO N[C@H]([C@@H]1CCC[N@H+](C2CCN(CC3CC3)CC2)C1)C(F)(F)F ZINC001168368338 781526835 /nfs/dbraw/zinc/52/68/35/781526835.db2.gz IOTJVSPBNUJGMA-UKRRQHHQSA-N 1 3 319.415 2.462 20 0 DEADHO CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)N1CCCCCC1)C2 ZINC001099509694 783534734 /nfs/dbraw/zinc/53/47/34/783534734.db2.gz RGJBOWXNHYWWJE-LNLFQRSKSA-N 1 3 321.509 2.489 20 0 DEADHO CCCCN1CC[C@@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001085668341 783941960 /nfs/dbraw/zinc/94/19/60/783941960.db2.gz AUJIKAGFCUCGHF-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1CC1CC1 ZINC001085687841 783968862 /nfs/dbraw/zinc/96/88/62/783968862.db2.gz WOLVNHNYHQHGNQ-DLBZAZTESA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1CC1CC1 ZINC001085687841 783968869 /nfs/dbraw/zinc/96/88/69/783968869.db2.gz WOLVNHNYHQHGNQ-DLBZAZTESA-N 1 3 307.482 2.050 20 0 DEADHO CC1CC(CN2CC[C@H]2CN(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001085695311 783972816 /nfs/dbraw/zinc/97/28/16/783972816.db2.gz GJYUMKLSVQQANJ-JCYILVPMSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)=CCN1CC[C@H]1CN(C)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085699067 783981277 /nfs/dbraw/zinc/98/12/77/783981277.db2.gz FGZXKWYUGVAMLA-INIZCTEOSA-N 1 3 312.417 2.447 20 0 DEADHO CCc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1 ZINC000967708658 784099203 /nfs/dbraw/zinc/09/92/03/784099203.db2.gz OFYQUTWKTLUFCS-MSOLQXFVSA-N 1 3 315.461 2.034 20 0 DEADHO CC1CC(C[NH2+][C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000968673572 784533389 /nfs/dbraw/zinc/53/33/89/784533389.db2.gz YLVOECCFCSEYBX-OFLPRAFFSA-N 1 3 321.509 2.488 20 0 DEADHO CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCN1CC(C)C ZINC000968928283 784655012 /nfs/dbraw/zinc/65/50/12/784655012.db2.gz HDORGHLLOZDLJS-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCN1CC(C)C ZINC000968928283 784655017 /nfs/dbraw/zinc/65/50/17/784655017.db2.gz HDORGHLLOZDLJS-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC000968989964 784682502 /nfs/dbraw/zinc/68/25/02/784682502.db2.gz OLJJSYFFNOUCSY-MSOLQXFVSA-N 1 3 317.477 2.272 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@H](NCc2ccccc2F)C1)[NH+](C)C ZINC000968996288 784684876 /nfs/dbraw/zinc/68/48/76/784684876.db2.gz DNVRKLKSKFGIJR-WBVHZDCISA-N 1 3 321.440 2.102 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCCN(CCCF)C1 ZINC001007500812 784937987 /nfs/dbraw/zinc/93/79/87/784937987.db2.gz VPZHGFSETREOTP-JKSUJKDBSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCCN(CCCF)C1 ZINC001007500812 784937992 /nfs/dbraw/zinc/93/79/92/784937992.db2.gz VPZHGFSETREOTP-JKSUJKDBSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)C[NH2+]C1CC(CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001091267201 791074287 /nfs/dbraw/zinc/07/42/87/791074287.db2.gz DGYNRIOTLRBBGY-OFLPRAFFSA-N 1 3 309.498 2.390 20 0 DEADHO C[C@@H]1C[C@@H](N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)CN1C(=O)OC(C)(C)C ZINC001168882556 784956863 /nfs/dbraw/zinc/95/68/63/784956863.db2.gz OQNUGNPYRIVKET-ATNYBXOESA-N 1 3 323.481 2.268 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(OC3COC3)c1)C2 ZINC001169099979 785034177 /nfs/dbraw/zinc/03/41/77/785034177.db2.gz YGKSKDSCSXLRCX-PHZGNYQRSA-N 1 3 302.418 2.179 20 0 DEADHO Cc1cc2c(cc1C[NH2+][C@@H]1C[C@H]3CC[C@@H](C1)N3C)OCCO2 ZINC001169079082 785035863 /nfs/dbraw/zinc/03/58/63/785035863.db2.gz IVEKAEBUOIDJMK-PHZGNYQRSA-N 1 3 302.418 2.481 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1CCN(C(=O)c3ccccc3)C1)C2 ZINC001169113991 785059945 /nfs/dbraw/zinc/05/99/45/785059945.db2.gz VNILXUNIHBDMMG-TVFCKZIOSA-N 1 3 313.445 2.116 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1CCN(C(=O)c3ccccc3)C1)C2 ZINC001169113991 785059951 /nfs/dbraw/zinc/05/99/51/785059951.db2.gz VNILXUNIHBDMMG-TVFCKZIOSA-N 1 3 313.445 2.116 20 0 DEADHO COC(=O)[C@@H]1C[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3C)Cc2ccccc21 ZINC001169155771 785072518 /nfs/dbraw/zinc/07/25/18/785072518.db2.gz UNRITMXWXVOJHC-MUQADHOPSA-N 1 3 314.429 2.384 20 0 DEADHO COC(=O)[C@@H]1C[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3C)Cc2ccccc21 ZINC001169155771 785072525 /nfs/dbraw/zinc/07/25/25/785072525.db2.gz UNRITMXWXVOJHC-MUQADHOPSA-N 1 3 314.429 2.384 20 0 DEADHO C[C@H](N)c1ccn(-c2ccc(COC3CC[NH2+]CC3)cc2)n1 ZINC001169234187 785099905 /nfs/dbraw/zinc/09/99/05/785099905.db2.gz UNPXPKDDQXDNEX-ZDUSSCGKSA-N 1 3 300.406 2.161 20 0 DEADHO CCOC(=O)N1CCC[C@@H]([NH+]2CCC3(CN(C)C3)CC2)CC1 ZINC001169707821 785319341 /nfs/dbraw/zinc/31/93/41/785319341.db2.gz WACBUVJGUNBSAU-OAHLLOKOSA-N 1 3 309.454 2.025 20 0 DEADHO CC(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(N(C)C)CCC1)C2 ZINC001108703802 785494073 /nfs/dbraw/zinc/49/40/73/785494073.db2.gz WAJMXBDVEYNEAY-BBWFWOEESA-N 1 3 321.509 2.486 20 0 DEADHO CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)(C)C1)C2 ZINC001108766559 785532572 /nfs/dbraw/zinc/53/25/72/785532572.db2.gz ZZMXOSNFUNOGNW-BBWFWOEESA-N 1 3 321.509 2.488 20 0 DEADHO Cc1cccc([C@H](C)[NH2+]CCNC(=O)C2(N(C)C)CCC2)c1 ZINC001129364595 785542462 /nfs/dbraw/zinc/54/24/62/785542462.db2.gz XSAXEFBLYWZTIN-HNNXBMFYSA-N 1 3 303.450 2.246 20 0 DEADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110002308 786126431 /nfs/dbraw/zinc/12/64/31/786126431.db2.gz ASYQNGQHUKQVTJ-IKGGRYGDSA-N 1 3 307.482 2.406 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001014412095 786576198 /nfs/dbraw/zinc/57/61/98/786576198.db2.gz GBGQZRVCXOTYKI-CVEARBPZSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001014412095 786576203 /nfs/dbraw/zinc/57/62/03/786576203.db2.gz GBGQZRVCXOTYKI-CVEARBPZSA-N 1 3 309.498 2.486 20 0 DEADHO CN1CC(CNc2ccc3c(c2)ncn3[C@H]2CCC[NH2+]CC2)C1 ZINC001170254831 786889140 /nfs/dbraw/zinc/88/91/40/786889140.db2.gz UUSNNOTWNFVFLO-INIZCTEOSA-N 1 3 313.449 2.324 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCN(CC=C(C)C)C2)C1 ZINC001015596786 787128056 /nfs/dbraw/zinc/12/80/56/787128056.db2.gz HFONQIMANIJVPR-DLBZAZTESA-N 1 3 307.482 2.265 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCN(CC=C(C)C)C2)C1 ZINC001015596786 787128060 /nfs/dbraw/zinc/12/80/60/787128060.db2.gz HFONQIMANIJVPR-DLBZAZTESA-N 1 3 307.482 2.265 20 0 DEADHO Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)[C@@H](C2CC2)N(C)C)c1 ZINC001129444348 787212455 /nfs/dbraw/zinc/21/24/55/787212455.db2.gz RTDFQGMTNBBFSH-MAUKXSAKSA-N 1 3 317.477 2.410 20 0 DEADHO Cc1cccc([C@H](C)[NH2+]CCNC(=O)[C@H](C2CC2)N(C)C)c1 ZINC001129442692 787215127 /nfs/dbraw/zinc/21/51/27/787215127.db2.gz CYTHDLNCOWRBIZ-YOEHRIQHSA-N 1 3 303.450 2.102 20 0 DEADHO CC[C@H]([NH2+]CCNC(=O)CN(C)C1CCC1)c1ccc(F)cc1 ZINC001129535684 787225112 /nfs/dbraw/zinc/22/51/12/787225112.db2.gz YCLJFBUCHIVXMU-KRWDZBQOSA-N 1 3 321.440 2.467 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC[NH2+][C@H](C)c1ccccc1C ZINC001130421623 787386896 /nfs/dbraw/zinc/38/68/96/787386896.db2.gz CRIKDRBENYBLGX-OAHLLOKOSA-N 1 3 305.466 2.492 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CCC2CC2)C1 ZINC001132153962 787946781 /nfs/dbraw/zinc/94/67/81/787946781.db2.gz VKKNHHAMNXXYDD-HOCLYGCPSA-N 1 3 309.498 2.486 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC2CC2)C1 ZINC001132153962 787946786 /nfs/dbraw/zinc/94/67/86/787946786.db2.gz VKKNHHAMNXXYDD-HOCLYGCPSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H](NCCNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1F ZINC001132286958 788011303 /nfs/dbraw/zinc/01/13/03/788011303.db2.gz OWKGWVJBDSGYKA-CQSZACIVSA-N 1 3 321.440 2.467 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001133347539 788378158 /nfs/dbraw/zinc/37/81/58/788378158.db2.gz XOMITWGSUBLWDO-JFOCPDPESA-N 1 3 315.889 2.153 20 0 DEADHO C[C@@H]([NH2+]CCNC(=O)CN1CC[C@@H](C)C1)c1ccc(Cl)cc1 ZINC001133851154 788632359 /nfs/dbraw/zinc/63/23/59/788632359.db2.gz XVMLPAUIDGGKKZ-ZIAGYGMSSA-N 1 3 323.868 2.449 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)CN1CC[C@@H](C)C1 ZINC001133845365 788638336 /nfs/dbraw/zinc/63/83/36/788638336.db2.gz CMNBCDKLGWPSRA-ZBFHGGJFSA-N 1 3 303.450 2.104 20 0 DEADHO CC1(C)CCN(CC(=O)NCC[NH2+]CCC2CCCCC2)C1 ZINC001133893546 788660850 /nfs/dbraw/zinc/66/08/50/788660850.db2.gz JPBJKSRXUKPLNN-UHFFFAOYSA-N 1 3 309.498 2.395 20 0 DEADHO CN(CC(=O)NCC[NH2+][C@@H]1CCc2ccccc21)CC(C)(C)C ZINC001133905455 788665906 /nfs/dbraw/zinc/66/59/06/788665906.db2.gz AMGXDLBOTZAMAB-QGZVFWFLSA-N 1 3 317.477 2.358 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+][C@H](C)c1cccc(Cl)c1)N(C)C ZINC001133963735 788693143 /nfs/dbraw/zinc/69/31/43/788693143.db2.gz YKRDDBQXZXHHEL-DOMZBBRYSA-N 1 3 311.857 2.447 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+]C/C=C\c1ccc(Cl)cc1)N(C)C ZINC001133965677 788695465 /nfs/dbraw/zinc/69/54/65/788695465.db2.gz DRDVIFKPQQWEKF-KJPDOMRESA-N 1 3 323.868 2.399 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+]Cc1c(C)cc(C)cc1C)N(C)C ZINC001133968169 788696876 /nfs/dbraw/zinc/69/68/76/788696876.db2.gz QEYKOFCGIWFORS-KRWDZBQOSA-N 1 3 305.466 2.158 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+][C@@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001133965775 788696965 /nfs/dbraw/zinc/69/69/65/788696965.db2.gz JPPRRGLOEVSNBB-KSSFIOAISA-N 1 3 317.477 2.282 20 0 DEADHO C[C@H](C[C@H](C)NC(=O)C1(N(C)C)CCC1)[NH2+]C/C=C/Cl ZINC001134582906 788987516 /nfs/dbraw/zinc/98/75/16/788987516.db2.gz BICOROYGVATREW-RXFWDACYSA-N 1 3 301.862 2.096 20 0 DEADHO C[C@H](C[C@@H](C)[NH2+]C/C=C/Cl)NC(=O)CN1CCC(C)(C)C1 ZINC001135476375 789364696 /nfs/dbraw/zinc/36/46/96/789364696.db2.gz KCZZIOAJSQTVFW-VTGPQGOBSA-N 1 3 315.889 2.344 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ncccc1C ZINC001135744247 789475053 /nfs/dbraw/zinc/47/50/53/789475053.db2.gz YDVASBWCYIBVHS-CVEARBPZSA-N 1 3 320.481 2.105 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCc1ccccc1 ZINC001135980706 789581734 /nfs/dbraw/zinc/58/17/34/789581734.db2.gz RQXPHXDIHPUYKF-DLBZAZTESA-N 1 3 319.493 2.444 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1ocnc1C ZINC001135995339 789589359 /nfs/dbraw/zinc/58/93/59/789589359.db2.gz CXKVGKXGGWGPFN-KGLIPLIRSA-N 1 3 324.469 2.088 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1ocnc1C ZINC001135995339 789589370 /nfs/dbraw/zinc/58/93/70/789589370.db2.gz CXKVGKXGGWGPFN-KGLIPLIRSA-N 1 3 324.469 2.088 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC(F)(F)F ZINC001136031838 789601432 /nfs/dbraw/zinc/60/14/32/789601432.db2.gz RCYYALKSEYVKGJ-NXEZZACHSA-N 1 3 320.359 2.086 20 0 DEADHO N[C@H](CCC[NH3+])Nc1ccc2c(c1)N(c1ccccc1)C(=O)C2 ZINC001170904807 789648970 /nfs/dbraw/zinc/64/89/70/789648970.db2.gz PNHLJUDJMSHHGS-KRWDZBQOSA-N 1 3 310.401 2.343 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)[C@H]2C)cc1 ZINC001074561623 791232677 /nfs/dbraw/zinc/23/26/77/791232677.db2.gz HMUQYFHVFBJPHO-RYQLBKOJSA-N 1 3 315.461 2.168 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CC2CCCCC2)CCN1C(=O)[C@H]1CCCN1C ZINC001074564921 791233893 /nfs/dbraw/zinc/23/38/93/791233893.db2.gz JRUBCPSAFHEYEJ-BHYGNILZSA-N 1 3 307.482 2.240 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)[C@@H]1C)N(C)C ZINC001074709457 791271203 /nfs/dbraw/zinc/27/12/03/791271203.db2.gz DENQBTXTPPQBQQ-BHYGNILZSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001146593077 791317622 /nfs/dbraw/zinc/31/76/22/791317622.db2.gz NRMLJLYEZSDVCT-QWHCGFSZSA-N 1 3 319.440 2.245 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1 ZINC001146595200 791319273 /nfs/dbraw/zinc/31/92/73/791319273.db2.gz XNSUGHZSLLFYIC-CVEARBPZSA-N 1 3 305.466 2.400 20 0 DEADHO CC(C)OCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146600055 791320022 /nfs/dbraw/zinc/32/00/22/791320022.db2.gz FDCJVUYUFYCHDO-CVEARBPZSA-N 1 3 315.502 2.015 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]Cc3ccsc3)[C@@H]2C)C1 ZINC001074878317 791363910 /nfs/dbraw/zinc/36/39/10/791363910.db2.gz NAZZHOZGXMAZJG-DZKIICNBSA-N 1 3 321.490 2.169 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccccc2C)[C@@H]1C)N(C)C ZINC001074885411 791369089 /nfs/dbraw/zinc/36/90/89/791369089.db2.gz BXYGQWXPODDRNY-SZMVWBNQSA-N 1 3 317.477 2.414 20 0 DEADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCNCc2ccsc2)C1 ZINC001147833741 791633220 /nfs/dbraw/zinc/63/32/20/791633220.db2.gz AWDIFSKGXBYSLU-CABCVRRESA-N 1 3 309.479 2.074 20 0 DEADHO CC(C)(C)CCC[N@@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001148350940 791735337 /nfs/dbraw/zinc/73/53/37/791735337.db2.gz FVAMBXLCRDNAIS-UHFFFAOYSA-N 1 3 318.465 2.313 20 0 DEADHO CC(C)(C)CCC[N@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001148350940 791735339 /nfs/dbraw/zinc/73/53/39/791735339.db2.gz FVAMBXLCRDNAIS-UHFFFAOYSA-N 1 3 318.465 2.313 20 0 DEADHO CC(C)[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCCN3C)C2)CC1 ZINC001086907945 791846157 /nfs/dbraw/zinc/84/61/57/791846157.db2.gz JBXBCVKQWVPBIA-CVEARBPZSA-N 1 3 307.482 2.192 20 0 DEADHO CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@]2(C)C1 ZINC001092071502 791928730 /nfs/dbraw/zinc/92/87/30/791928730.db2.gz YIXYMBBBTMUSMZ-AOIWGVFYSA-N 1 3 321.509 2.440 20 0 DEADHO CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@]2(C)C1 ZINC001092071502 791928734 /nfs/dbraw/zinc/92/87/34/791928734.db2.gz YIXYMBBBTMUSMZ-AOIWGVFYSA-N 1 3 321.509 2.440 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC(C)C)C[C@@]2(C)C1 ZINC001092302933 791974005 /nfs/dbraw/zinc/97/40/05/791974005.db2.gz HUNPKGCGOXJRCE-LMMKCTJWSA-N 1 3 321.509 2.297 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC(C)C)C[C@@]2(C)C1 ZINC001092302933 791974013 /nfs/dbraw/zinc/97/40/13/791974013.db2.gz HUNPKGCGOXJRCE-LMMKCTJWSA-N 1 3 321.509 2.297 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@]2(C)C1 ZINC001092301435 791974332 /nfs/dbraw/zinc/97/43/32/791974332.db2.gz ILWGVQGWJMSKGP-AOIWGVFYSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@]2(C)C1 ZINC001092301435 791974339 /nfs/dbraw/zinc/97/43/39/791974339.db2.gz ILWGVQGWJMSKGP-AOIWGVFYSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C ZINC001092658403 792103069 /nfs/dbraw/zinc/10/30/69/792103069.db2.gz SUDNODBMCPMYIT-KBAYOESNSA-N 1 3 321.509 2.345 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C ZINC001092658403 792103076 /nfs/dbraw/zinc/10/30/76/792103076.db2.gz SUDNODBMCPMYIT-KBAYOESNSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@H](C(=O)N1CCC([C@@H]2[N@H+](CC)CC23CCC3)CC1)N(C)C ZINC001093374013 792347576 /nfs/dbraw/zinc/34/75/76/792347576.db2.gz XATAJYGSUGPVJL-SJORKVTESA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@H](C(=O)N1CCC([C@@H]2[N@@H+](CC)CC23CCC3)CC1)N(C)C ZINC001093374013 792347587 /nfs/dbraw/zinc/34/75/87/792347587.db2.gz XATAJYGSUGPVJL-SJORKVTESA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)[C@@H](C(=O)NCC1CC([NH2+]CCC(C)(C)C)C1)C1CC1 ZINC001100408246 792633661 /nfs/dbraw/zinc/63/36/61/792633661.db2.gz ZVQIUXNDCZYJCR-AVVWSFFYSA-N 1 3 309.498 2.247 20 0 DEADHO CCCCCC[NH2+]C1CC(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001100678513 792784469 /nfs/dbraw/zinc/78/44/69/792784469.db2.gz NJXUTBAEHPAHHP-KLAILNCOSA-N 1 3 309.498 2.393 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]CCCc1ccccc1 ZINC001171770420 793202511 /nfs/dbraw/zinc/20/25/11/793202511.db2.gz QMFZGGAAYSSOQR-UHFFFAOYSA-N 1 3 305.466 2.057 20 0 DEADHO [NH3+]CC1(NC2CCN(c3ccc(Br)cc3)CC2)CC1 ZINC001171994335 793272761 /nfs/dbraw/zinc/27/27/61/793272761.db2.gz DQFNMBFLFIOIEO-UHFFFAOYSA-N 1 3 324.266 2.499 20 0 DEADHO CC(C)(C)C[NH+]1CCC(N[C@@H]2CCN(C3CC3)C(=O)C2)CC1 ZINC001172006650 793279237 /nfs/dbraw/zinc/27/92/37/793279237.db2.gz YNMHXPIFPCKHPU-OAHLLOKOSA-N 1 3 307.482 2.240 20 0 DEADHO CCN1CC[C@@H](NC2CC[NH+](CC3CCCC3)CC2)CC1=O ZINC001172033420 793298251 /nfs/dbraw/zinc/29/82/51/793298251.db2.gz ZSJQVGWUMJFTCI-QGZVFWFLSA-N 1 3 307.482 2.242 20 0 DEADHO CCN1CC[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)CC1=O ZINC001172033420 793298261 /nfs/dbraw/zinc/29/82/61/793298261.db2.gz ZSJQVGWUMJFTCI-QGZVFWFLSA-N 1 3 307.482 2.242 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@H](O)COc1ccccc1)C2 ZINC001172101871 793314306 /nfs/dbraw/zinc/31/43/06/793314306.db2.gz IBJFSOYXOLAEMK-NXOAAHMSSA-N 1 3 304.434 2.031 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@H](O)COc1ccccc1)C2 ZINC001172101871 793314310 /nfs/dbraw/zinc/31/43/10/793314310.db2.gz IBJFSOYXOLAEMK-NXOAAHMSSA-N 1 3 304.434 2.031 20 0 DEADHO Cc1nccnc1O[C@H]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172134385 793323525 /nfs/dbraw/zinc/32/35/25/793323525.db2.gz XAXUBYMTLRSHPC-YVSFHVDLSA-N 1 3 316.449 2.253 20 0 DEADHO Cc1nccnc1O[C@H]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172134385 793323532 /nfs/dbraw/zinc/32/35/32/793323532.db2.gz XAXUBYMTLRSHPC-YVSFHVDLSA-N 1 3 316.449 2.253 20 0 DEADHO COCCC[NH+]1CCC(NCCOc2ccc(OC)cc2)CC1 ZINC001172242529 793383368 /nfs/dbraw/zinc/38/33/68/793383368.db2.gz DVBOQOHCIZEWEC-UHFFFAOYSA-N 1 3 322.449 2.165 20 0 DEADHO COCCCN1CCC([NH2+]CCN(C)Cc2ccccc2)CC1 ZINC001172244740 793384274 /nfs/dbraw/zinc/38/42/74/793384274.db2.gz KIPORVJUSNIWOB-UHFFFAOYSA-N 1 3 319.493 2.209 20 0 DEADHO COCCC[NH+]1CCC(NCCOc2ccccc2C)CC1 ZINC001172244575 793384814 /nfs/dbraw/zinc/38/48/14/793384814.db2.gz VFSWYUQQNMNIEM-UHFFFAOYSA-N 1 3 306.450 2.464 20 0 DEADHO COCCC[NH+]1CCC(NCCOc2ccc(F)cc2)CC1 ZINC001172244415 793384981 /nfs/dbraw/zinc/38/49/81/793384981.db2.gz QMQJYMXIVFKDOY-UHFFFAOYSA-N 1 3 310.413 2.295 20 0 DEADHO CC(C)CC[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102066514 793493248 /nfs/dbraw/zinc/49/32/48/793493248.db2.gz OWBJVYGOZOAANS-ZACQAIPSSA-N 1 3 311.514 2.303 20 0 DEADHO CC(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102066514 793493251 /nfs/dbraw/zinc/49/32/51/793493251.db2.gz OWBJVYGOZOAANS-ZACQAIPSSA-N 1 3 311.514 2.303 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C)N(C)C ZINC001102088063 793500056 /nfs/dbraw/zinc/50/00/56/793500056.db2.gz KTFQZUOGAMBRBB-BZUAXINKSA-N 1 3 311.514 2.447 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C)N(C)C ZINC001102088063 793500059 /nfs/dbraw/zinc/50/00/59/793500059.db2.gz KTFQZUOGAMBRBB-BZUAXINKSA-N 1 3 311.514 2.447 20 0 DEADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](CC2CC(C)C2)C[C@H]1C ZINC001102101003 793505016 /nfs/dbraw/zinc/50/50/16/793505016.db2.gz HYZGLNCGGNPEFB-MNAZLIDISA-N 1 3 323.525 2.447 20 0 DEADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](CC2CC(C)C2)C[C@H]1C ZINC001102101003 793505020 /nfs/dbraw/zinc/50/50/20/793505020.db2.gz HYZGLNCGGNPEFB-MNAZLIDISA-N 1 3 323.525 2.447 20 0 DEADHO CCC(CC)C[N@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369948 793589505 /nfs/dbraw/zinc/58/95/05/793589505.db2.gz LVOVAFKLLGVCFT-JFIYKMOQSA-N 1 3 323.525 2.449 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369948 793589510 /nfs/dbraw/zinc/58/95/10/793589510.db2.gz LVOVAFKLLGVCFT-JFIYKMOQSA-N 1 3 323.525 2.449 20 0 DEADHO CCSC[C@H](C)N[C@@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001173293655 793661994 /nfs/dbraw/zinc/66/19/94/793661994.db2.gz GHHVWBBWRIJPRI-NWDGAFQWSA-N 1 3 305.488 2.307 20 0 DEADHO CN1C(C)(C)CC([NH2+][C@H]2CCC[C@@H](n3ncnn3)C2)CC1(C)C ZINC001173757871 793841490 /nfs/dbraw/zinc/84/14/90/793841490.db2.gz PRDWGURVEQGBRB-DZGCQCFKSA-N 1 3 320.485 2.398 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[C@@H]2C[N@H+](CCC3CC3)C[C@H]2C)C1 ZINC001103436039 794091413 /nfs/dbraw/zinc/09/14/13/794091413.db2.gz IIFNYAQSPZXERN-LZLYRXPVSA-N 1 3 321.509 2.203 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[C@@H]2C[N@@H+](CCC3CC3)C[C@H]2C)C1 ZINC001103436039 794091421 /nfs/dbraw/zinc/09/14/21/794091421.db2.gz IIFNYAQSPZXERN-LZLYRXPVSA-N 1 3 321.509 2.203 20 0 DEADHO Cc1ncoc1CNCCCC[C@H](C)NC(=O)CCC[NH+](C)C ZINC001174947499 794108892 /nfs/dbraw/zinc/10/88/92/794108892.db2.gz CCSWCFMHYWLDHJ-AWEZNQCLSA-N 1 3 324.469 2.089 20 0 DEADHO C[C@H](CCCC[NH2+]C/C=C/Cl)NC(=O)CN1CCC[C@H]1C ZINC001175255824 794170405 /nfs/dbraw/zinc/17/04/05/794170405.db2.gz HJQGTPMFTDNRLC-VOTDVEDPSA-N 1 3 315.889 2.488 20 0 DEADHO C[C@H](CCCC[NH2+]C/C=C\Cl)NC(=O)CN1CC[C@@H](C)C1 ZINC001175265506 794173881 /nfs/dbraw/zinc/17/38/81/794173881.db2.gz YXVRJUBBYULVOM-OVUXIIJLSA-N 1 3 315.889 2.345 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1cc(C)no1)N(C)C ZINC001175318132 794180534 /nfs/dbraw/zinc/18/05/34/794180534.db2.gz WCUNZLBTPYYXOS-BBRMVZONSA-N 1 3 324.469 2.088 20 0 DEADHO CC(C)OCC[NH2+]CCCC[C@H](C)NC(=O)CN(C)C(C)C ZINC001176759312 794499328 /nfs/dbraw/zinc/49/93/28/794499328.db2.gz IOPUXBJHTTWHRB-INIZCTEOSA-N 1 3 315.502 2.016 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001176972203 794542953 /nfs/dbraw/zinc/54/29/53/794542953.db2.gz QJXBTBNGGCHMHT-AWEZNQCLSA-N 1 3 319.440 2.248 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccsc1 ZINC001176991478 794551424 /nfs/dbraw/zinc/55/14/24/794551424.db2.gz CDRFRKXLMFOGOZ-OAHLLOKOSA-N 1 3 309.479 2.218 20 0 DEADHO CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C1CCC1)C2 ZINC001112401681 794624088 /nfs/dbraw/zinc/62/40/88/794624088.db2.gz SCXUVHPTKXMCQZ-LPHOPBHVSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCC3CCCC3)C[C@H]21 ZINC001115159368 794693188 /nfs/dbraw/zinc/69/31/88/794693188.db2.gz HBAKQPTVUGIGFC-DZFIZOCASA-N 1 3 321.509 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC3CCCC3)C[C@H]21 ZINC001115159368 794693190 /nfs/dbraw/zinc/69/31/90/794693190.db2.gz HBAKQPTVUGIGFC-DZFIZOCASA-N 1 3 321.509 2.345 20 0 DEADHO C[NH+](C)CCC(=O)NCC1(NCc2ccns2)CCCCC1 ZINC001115708173 794888896 /nfs/dbraw/zinc/88/88/96/794888896.db2.gz RVZHTYOOTNWXHL-UHFFFAOYSA-N 1 3 324.494 2.004 20 0 DEADHO C[C@H]1[C@@H](NCCF)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001179234480 795081387 /nfs/dbraw/zinc/08/13/87/795081387.db2.gz PNCWXEWEJLUCPO-HOCLYGCPSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H]1[C@@H](NCCF)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001179234480 795081393 /nfs/dbraw/zinc/08/13/93/795081393.db2.gz PNCWXEWEJLUCPO-HOCLYGCPSA-N 1 3 313.461 2.190 20 0 DEADHO CN(CC(=O)N1CCC([NH3+])(CC2CCC2)CC1)C1CCCC1 ZINC001180630953 795347241 /nfs/dbraw/zinc/34/72/41/795347241.db2.gz STXALJOQIPTTRU-UHFFFAOYSA-N 1 3 307.482 2.371 20 0 DEADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@@]1(C)C[NH2+]CCC1CC1 ZINC001181755476 795533940 /nfs/dbraw/zinc/53/39/40/795533940.db2.gz RQFVFDDQLCDEFP-DKSSEZFCSA-N 1 3 321.509 2.201 20 0 DEADHO CCCC[NH2+]C1CC2(CC(NC(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001121268055 795609968 /nfs/dbraw/zinc/60/99/68/795609968.db2.gz XBSGNTLZAKGCBG-HVEGKCCWSA-N 1 3 309.498 2.390 20 0 DEADHO O=C([C@@H]1CCCN1CC1CC1)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001182557657 795701353 /nfs/dbraw/zinc/70/13/53/795701353.db2.gz YXLJMGUSVOEUME-MSOLQXFVSA-N 1 3 319.493 2.338 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2CC2CC2)[C@H](C)C1 ZINC001182562937 795706758 /nfs/dbraw/zinc/70/67/58/795706758.db2.gz UBHGDKGGQMSMEW-OIISXLGYSA-N 1 3 307.482 2.096 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2CC2CC2)[C@H](C)C1 ZINC001182562937 795706759 /nfs/dbraw/zinc/70/67/59/795706759.db2.gz UBHGDKGGQMSMEW-OIISXLGYSA-N 1 3 307.482 2.096 20 0 DEADHO CC(C)=CC[NH2+]C[C@]1(C)CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001182629624 795714539 /nfs/dbraw/zinc/71/45/39/795714539.db2.gz JVGMDFYHZQSDRS-ZHALLVOQSA-N 1 3 321.509 2.369 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC[C@@H](C)F)C1)N(C)C ZINC001182637550 795717169 /nfs/dbraw/zinc/71/71/69/795717169.db2.gz IPHWTZMSIXFQMN-PNBKFKSVSA-N 1 3 315.477 2.149 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC2CC2)C1 ZINC001182933832 795787329 /nfs/dbraw/zinc/78/73/29/795787329.db2.gz OUWIECAQUGERHQ-CRAIPNDOSA-N 1 3 309.498 2.203 20 0 DEADHO CN(CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2)C1)CC(C)(C)C ZINC001185723556 796309609 /nfs/dbraw/zinc/30/96/09/796309609.db2.gz NJZVARMDKUIZOJ-QGZVFWFLSA-N 1 3 317.477 2.355 20 0 DEADHO CCC[N@H+](CCCN(C)C)Cc1ccc(N2CCOCC2)nc1 ZINC001139436333 796375360 /nfs/dbraw/zinc/37/53/60/796375360.db2.gz LUQQXAGKBJDRQD-UHFFFAOYSA-N 1 3 320.481 2.082 20 0 DEADHO CCC[N@@H+](CCCN(C)C)Cc1ccc(N2CCOCC2)nc1 ZINC001139436333 796375365 /nfs/dbraw/zinc/37/53/65/796375365.db2.gz LUQQXAGKBJDRQD-UHFFFAOYSA-N 1 3 320.481 2.082 20 0 DEADHO CCN(CC)CC(=O)N1CCC([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001203009959 796487573 /nfs/dbraw/zinc/48/75/73/796487573.db2.gz CTJDLNOJGSELJJ-ZACQAIPSSA-N 1 3 321.509 2.345 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001187291156 796514975 /nfs/dbraw/zinc/51/49/75/796514975.db2.gz KXKXACCJCSECRC-MRXNPFEDSA-N 1 3 323.868 2.372 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001187322156 796517465 /nfs/dbraw/zinc/51/74/65/796517465.db2.gz LTCDEEOSUOJDGQ-MRXNPFEDSA-N 1 3 321.440 2.166 20 0 DEADHO CC[C@@H](F)C[NH2+]C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001203042292 796529080 /nfs/dbraw/zinc/52/90/80/796529080.db2.gz VPBPWADHDZFNLI-OAHLLOKOSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H](F)CC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001188084160 796625490 /nfs/dbraw/zinc/62/54/90/796625490.db2.gz FVPCLYWVRXIPRP-WMLDXEAASA-N 1 3 321.440 2.300 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001188157953 796640238 /nfs/dbraw/zinc/64/02/38/796640238.db2.gz ALUBPWHHOGNNQJ-OFLPRAFFSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C)C[NH2+]CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001205490789 796947118 /nfs/dbraw/zinc/94/71/18/796947118.db2.gz ZJTPALNMYJGLKX-RDJZCZTQSA-N 1 3 311.514 2.447 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]([N@H+](C)CC=C(C)C)C1 ZINC001190445747 796999434 /nfs/dbraw/zinc/99/94/34/796999434.db2.gz ZZSBBGDCEIWNNM-JKSUJKDBSA-N 1 3 313.461 2.165 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]([N@@H+](C)CC=C(C)C)C1 ZINC001190445747 796999438 /nfs/dbraw/zinc/99/94/38/796999438.db2.gz ZZSBBGDCEIWNNM-JKSUJKDBSA-N 1 3 313.461 2.165 20 0 DEADHO CC(C)c1ccc(C[NH2+]CCNC(=O)CN(C)C(C)C)cc1 ZINC001152439201 797187059 /nfs/dbraw/zinc/18/70/59/797187059.db2.gz DTVMRFPFZIZXFY-UHFFFAOYSA-N 1 3 305.466 2.356 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]CCCc1ccsc1 ZINC001152452152 797189582 /nfs/dbraw/zinc/18/95/82/797189582.db2.gz UZFXWTZDSJDTKP-MRXNPFEDSA-N 1 3 323.506 2.261 20 0 DEADHO CCC/C=C\CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001191728058 797248675 /nfs/dbraw/zinc/24/86/75/797248675.db2.gz VINSOSABCCKWHI-QVOWHETESA-N 1 3 307.482 2.360 20 0 DEADHO CCC/C=C\CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001191728058 797248678 /nfs/dbraw/zinc/24/86/78/797248678.db2.gz VINSOSABCCKWHI-QVOWHETESA-N 1 3 307.482 2.360 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCCCCF)C1)N(C)C ZINC001192190062 797334164 /nfs/dbraw/zinc/33/41/64/797334164.db2.gz LKRMDXPVDNVKIZ-HZPDHXFCSA-N 1 3 315.477 2.245 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCCCF)C1)N(C)C ZINC001192190062 797334168 /nfs/dbraw/zinc/33/41/68/797334168.db2.gz LKRMDXPVDNVKIZ-HZPDHXFCSA-N 1 3 315.477 2.245 20 0 DEADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1ccc(SC)s1 ZINC001192650953 797423422 /nfs/dbraw/zinc/42/34/22/797423422.db2.gz OCSRNVFUCCTVIY-UHFFFAOYSA-N 1 3 314.480 2.147 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)CCC2CCCC2)C1 ZINC001192947439 797473848 /nfs/dbraw/zinc/47/38/48/797473848.db2.gz IMFJYWZBCZNZHV-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001192947439 797473851 /nfs/dbraw/zinc/47/38/51/797473851.db2.gz IMFJYWZBCZNZHV-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193027245 797492162 /nfs/dbraw/zinc/49/21/62/797492162.db2.gz OHRVAKOUCYUSOB-DOTOQJQBSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193027245 797492167 /nfs/dbraw/zinc/49/21/67/797492167.db2.gz OHRVAKOUCYUSOB-DOTOQJQBSA-N 1 3 309.498 2.297 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]([N@H+](C)CCCF)C1 ZINC001194246281 797699793 /nfs/dbraw/zinc/69/97/93/797699793.db2.gz KLKKVQYOPWZHAM-INIZCTEOSA-N 1 3 321.440 2.254 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]([N@@H+](C)CCCF)C1 ZINC001194246281 797699798 /nfs/dbraw/zinc/69/97/98/797699798.db2.gz KLKKVQYOPWZHAM-INIZCTEOSA-N 1 3 321.440 2.254 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001194285116 797709881 /nfs/dbraw/zinc/70/98/81/797709881.db2.gz PPRQZHPLENLCQI-QGZVFWFLSA-N 1 3 307.482 2.360 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001194285116 797709886 /nfs/dbraw/zinc/70/98/86/797709886.db2.gz PPRQZHPLENLCQI-QGZVFWFLSA-N 1 3 307.482 2.360 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC001194292940 797710753 /nfs/dbraw/zinc/71/07/53/797710753.db2.gz CGYBYABLAFFNHY-MRXNPFEDSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001194292940 797710757 /nfs/dbraw/zinc/71/07/57/797710757.db2.gz CGYBYABLAFFNHY-MRXNPFEDSA-N 1 3 309.498 2.296 20 0 DEADHO CN1CCC[C@H]1C(=O)NCCC[NH2+]Cc1sccc1Cl ZINC001155790647 797849089 /nfs/dbraw/zinc/84/90/89/797849089.db2.gz LEVWNCIMMPPQDK-LBPRGKRZSA-N 1 3 315.870 2.092 20 0 DEADHO CCc1cccc(CN2CCCN(C(=O)CC[NH+](C)C)CC2)c1 ZINC001197044228 798137125 /nfs/dbraw/zinc/13/71/25/798137125.db2.gz PXHNHINMZVOLOH-UHFFFAOYSA-N 1 3 317.477 2.235 20 0 DEADHO CCCCCC[N@@H+]1CCCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001197157976 798156452 /nfs/dbraw/zinc/15/64/52/798156452.db2.gz BTNMQRFODZSMFD-QGZVFWFLSA-N 1 3 309.498 2.443 20 0 DEADHO CCCCCC[N@H+]1CCCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001197157976 798156454 /nfs/dbraw/zinc/15/64/54/798156454.db2.gz BTNMQRFODZSMFD-QGZVFWFLSA-N 1 3 309.498 2.443 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NCC[NH2+]Cc1ccsc1 ZINC001152383193 798269570 /nfs/dbraw/zinc/26/95/70/798269570.db2.gz DRUGORISMFCZDZ-UHFFFAOYSA-N 1 3 317.458 2.329 20 0 DEADHO Cc1cc2ncnc(N3CCC([N@@H+]4CC[C@@H](N)C4)CC3)c2s1 ZINC001158260889 798368645 /nfs/dbraw/zinc/36/86/45/798368645.db2.gz HOIWOCNEAHPILJ-GFCCVEGCSA-N 1 3 317.462 2.002 20 0 DEADHO Cc1cc2ncnc(N3CCC([N@H+]4CC[C@@H](N)C4)CC3)c2s1 ZINC001158260889 798368651 /nfs/dbraw/zinc/36/86/51/798368651.db2.gz HOIWOCNEAHPILJ-GFCCVEGCSA-N 1 3 317.462 2.002 20 0 DEADHO COc1ccnc(N(c2cc(N)c(C)cn2)C2CC[NH2+]CC2)c1 ZINC001158322942 798384477 /nfs/dbraw/zinc/38/44/77/798384477.db2.gz QIXWSDYHVGBPLI-UHFFFAOYSA-N 1 3 313.405 2.266 20 0 DEADHO CC(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC[C@H]1C ZINC001158474444 798412128 /nfs/dbraw/zinc/41/21/28/798412128.db2.gz ZIYVWGALXXEJAZ-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC[C@H]1C ZINC001158474444 798412131 /nfs/dbraw/zinc/41/21/31/798412131.db2.gz ZIYVWGALXXEJAZ-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO Cc1cc(N(C2CC[NH2+]CC2)C2CCN(C)CC2)ncc1F ZINC001158575714 798433354 /nfs/dbraw/zinc/43/33/54/798433354.db2.gz SJMLEZKETYMGLB-UHFFFAOYSA-N 1 3 306.429 2.182 20 0 DEADHO CN1CCC(N(c2ccnc(C3CC3)n2)C2CC[NH2+]CC2)CC1 ZINC001158581081 798433478 /nfs/dbraw/zinc/43/34/78/798433478.db2.gz PPIFZVARZQDLTP-UHFFFAOYSA-N 1 3 315.465 2.007 20 0 DEADHO CCN(CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC[C@H](C)F ZINC001158625600 798440006 /nfs/dbraw/zinc/44/00/06/798440006.db2.gz QXRSBXPRVQQXEX-JKSUJKDBSA-N 1 3 315.477 2.389 20 0 DEADHO CCN(CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC[C@H](C)F ZINC001158625600 798440007 /nfs/dbraw/zinc/44/00/07/798440007.db2.gz QXRSBXPRVQQXEX-JKSUJKDBSA-N 1 3 315.477 2.389 20 0 DEADHO C[C@@H]([NH2+]CCCNC(=O)C1(N(C)C)CCC1)c1ccccc1 ZINC001159861296 798619443 /nfs/dbraw/zinc/61/94/43/798619443.db2.gz LSLFSTLVHIWHHL-OAHLLOKOSA-N 1 3 303.450 2.328 20 0 DEADHO CN(CC(=O)NCCC1=CC[N@H+](CC2CC2)CC1)C1CCC1 ZINC001160379907 798681643 /nfs/dbraw/zinc/68/16/43/798681643.db2.gz RJFZBNIPWTWBMR-UHFFFAOYSA-N 1 3 305.466 2.019 20 0 DEADHO CN(CC(=O)NCCC1=CC[N@@H+](CC2CC2)CC1)C1CCC1 ZINC001160379907 798681645 /nfs/dbraw/zinc/68/16/45/798681645.db2.gz RJFZBNIPWTWBMR-UHFFFAOYSA-N 1 3 305.466 2.019 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+]Cc1c(C)cccc1C)N(C)C ZINC001160883409 798755447 /nfs/dbraw/zinc/75/54/47/798755447.db2.gz MLVWHLAGKNHCGK-QGZVFWFLSA-N 1 3 305.466 2.240 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1ccccn1 ZINC001160935516 798764983 /nfs/dbraw/zinc/76/49/83/798764983.db2.gz BCEBWEJXUPFVNI-DOTOQJQBSA-N 1 3 318.465 2.241 20 0 DEADHO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@](C)(N)Cc2ccc(F)cc2)C1 ZINC001161051417 798787817 /nfs/dbraw/zinc/78/78/17/798787817.db2.gz VJONJYBNUPWSHS-AEFFLSMTSA-N 1 3 321.440 2.027 20 0 DEADHO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@](C)(N)Cc2ccc(F)cc2)C1 ZINC001161051417 798787823 /nfs/dbraw/zinc/78/78/23/798787823.db2.gz VJONJYBNUPWSHS-AEFFLSMTSA-N 1 3 321.440 2.027 20 0 DEADHO CCCC[N@H+]1CC=C(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001161205281 798809823 /nfs/dbraw/zinc/80/98/23/798809823.db2.gz CEVPVYRHTLNVCJ-INIZCTEOSA-N 1 3 307.482 2.409 20 0 DEADHO CCCC[N@@H+]1CC=C(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001161205281 798809828 /nfs/dbraw/zinc/80/98/28/798809828.db2.gz CEVPVYRHTLNVCJ-INIZCTEOSA-N 1 3 307.482 2.409 20 0 DEADHO C[C@]1(C[NH3+])CCCN(C(=O)[C@@H]2CCC[C@@H](c3ccccc3)N2)C1 ZINC001161487756 798869040 /nfs/dbraw/zinc/86/90/40/798869040.db2.gz IJMBSHOCLPTJDH-JENIJYKNSA-N 1 3 315.461 2.457 20 0 DEADHO CC(C)N1CCN(Cc2ccc(NCC[NH+](C)C)c(F)c2)CC1 ZINC001161672853 798908551 /nfs/dbraw/zinc/90/85/51/798908551.db2.gz KWORKFBFLYHSLW-UHFFFAOYSA-N 1 3 322.472 2.325 20 0 DEADHO CCCN(C)CC(=O)NCCC1=CC[N@H+](CC2CCC2)CC1 ZINC001161755441 798931613 /nfs/dbraw/zinc/93/16/13/798931613.db2.gz XZEIVLUNSLOCKJ-UHFFFAOYSA-N 1 3 307.482 2.267 20 0 DEADHO CCCN(C)CC(=O)NCCC1=CC[N@@H+](CC2CCC2)CC1 ZINC001161755441 798931614 /nfs/dbraw/zinc/93/16/14/798931614.db2.gz XZEIVLUNSLOCKJ-UHFFFAOYSA-N 1 3 307.482 2.267 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000250514465 799046661 /nfs/dbraw/zinc/04/66/61/799046661.db2.gz QBLPJRNAGONSPX-IAGOWNOFSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000250514465 799046668 /nfs/dbraw/zinc/04/66/68/799046668.db2.gz QBLPJRNAGONSPX-IAGOWNOFSA-N 1 3 309.498 2.486 20 0 DEADHO CCN(CC)CCNC(=[NH2+])Nc1cnc2cccc(C)c2n1 ZINC001163125348 799251497 /nfs/dbraw/zinc/25/14/97/799251497.db2.gz AGQPVKBQHIFXAU-UHFFFAOYSA-N 1 3 300.410 2.216 20 0 DEADHO CCN(CC)CCNC(=[NH2+])Nc1ncnc2sc(C)cc21 ZINC001163123078 799252439 /nfs/dbraw/zinc/25/24/39/799252439.db2.gz XZAFKZGXKFKCKX-UHFFFAOYSA-N 1 3 306.439 2.278 20 0 DEADHO CCN(CC)CCNC(=[NH2+])Nc1nnc(C)c2ccccc21 ZINC001163129428 799253911 /nfs/dbraw/zinc/25/39/11/799253911.db2.gz XMXZEQHFYYAEMM-UHFFFAOYSA-N 1 3 300.410 2.216 20 0 DEADHO C[C@H]1C[C@H](NC(=O)CC[NH2+]CC2CC2)CN1Cc1ccccc1 ZINC000717193911 799258258 /nfs/dbraw/zinc/25/82/58/799258258.db2.gz UKJIGKPUQLTSNA-YJBOKZPZSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)CC[NH2+]CC2CC2)CN1Cc1ccccc1 ZINC000717193890 799258269 /nfs/dbraw/zinc/25/82/69/799258269.db2.gz UKJIGKPUQLTSNA-CRAIPNDOSA-N 1 3 315.461 2.155 20 0 DEADHO Cc1cc2nccn2cc1NCC1([NH+](C)C)CCN(C)CC1 ZINC001164212842 799540525 /nfs/dbraw/zinc/54/05/25/799540525.db2.gz GOFXSILWXJHZKE-UHFFFAOYSA-N 1 3 301.438 2.081 20 0 DEADHO CC[C@H](C(=O)NCCC1(C[NH2+]CCC(F)(F)F)CC1)N(C)C ZINC001165718312 799765262 /nfs/dbraw/zinc/76/52/62/799765262.db2.gz IMMXMOXAVZEJHN-GFCCVEGCSA-N 1 3 323.403 2.155 20 0 DEADHO C[C@@H](NCCCNC(=O)CC[NH+](C)C)c1c(F)cccc1F ZINC001165801136 799776575 /nfs/dbraw/zinc/77/65/75/799776575.db2.gz OKHFRYSFEUSRHD-GFCCVEGCSA-N 1 3 313.392 2.073 20 0 DEADHO CCc1ccc(C[NH2+]CCCNC(=O)CN2CCC[C@H]2C)cc1 ZINC001166626949 799904315 /nfs/dbraw/zinc/90/43/15/799904315.db2.gz MXDDZXQMDVEUIJ-MRXNPFEDSA-N 1 3 317.477 2.329 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]C/C=C\c2ccccc2)C1 ZINC001166667948 799915852 /nfs/dbraw/zinc/91/58/52/799915852.db2.gz MKHZKVMJTOYXOM-OOYWPUHTSA-N 1 3 315.461 2.138 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CCC2CCCCC2)C1 ZINC001166678886 799919437 /nfs/dbraw/zinc/91/94/37/799919437.db2.gz XWTITIFAMPKPFH-MRXNPFEDSA-N 1 3 309.498 2.395 20 0 DEADHO CC[C@H](C)C[NH2+]CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001166687215 799922286 /nfs/dbraw/zinc/92/22/86/799922286.db2.gz JDBYJFZPKSUJIS-YOEHRIQHSA-N 1 3 315.477 2.341 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1ccc(C)c(C)c1)N(C)C ZINC001166858488 799966654 /nfs/dbraw/zinc/96/66/54/799966654.db2.gz VKSWCTCXVCBXGR-KRWDZBQOSA-N 1 3 305.466 2.240 20 0 DEADHO CN1CCCC[C@@H]1CC[NH+]1CCC(N2CCCOC2=O)CC1 ZINC000933622960 800140496 /nfs/dbraw/zinc/14/04/96/800140496.db2.gz JNVBGUJUKUIYJI-OAHLLOKOSA-N 1 3 309.454 2.168 20 0 DEADHO C[NH+](C)Cc1ccc(-c2noc([C@@H]3CCNC[C@@H]3F)n2)cc1 ZINC001205220637 800321177 /nfs/dbraw/zinc/32/11/77/800321177.db2.gz ZDZGELIFJOMFAZ-KGLIPLIRSA-N 1 3 304.369 2.213 20 0 DEADHO CC[C@H](C(=O)N1CCC(C[NH2+]CCC(F)(F)F)CC1)N(C)C ZINC001205516266 800366437 /nfs/dbraw/zinc/36/64/37/800366437.db2.gz WLBZMBFNAPDWIM-CYBMUJFWSA-N 1 3 323.403 2.107 20 0 DEADHO CC(C)C[NH2+]CC1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001206287974 800502538 /nfs/dbraw/zinc/50/25/38/800502538.db2.gz LQRKHFLVJCYDLI-UHFFFAOYSA-N 1 3 309.498 2.203 20 0 DEADHO CCOC(=O)c1cccc(CN2CCC[C@@](C)(C[NH3+])CC2)n1 ZINC001206325715 800508881 /nfs/dbraw/zinc/50/88/81/800508881.db2.gz HWWJJVMNKZIVCD-QGZVFWFLSA-N 1 3 305.422 2.209 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1C ZINC001207232369 800714268 /nfs/dbraw/zinc/71/42/68/800714268.db2.gz TUYQEMSFGIUATP-BZUAXINKSA-N 1 3 313.461 2.069 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CC=C(C)C)C[C@H]1C ZINC001207232369 800714270 /nfs/dbraw/zinc/71/42/70/800714270.db2.gz TUYQEMSFGIUATP-BZUAXINKSA-N 1 3 313.461 2.069 20 0 DEADHO COC(=O)CC[N@H+](CCCN(C)C)CCc1ccccc1OC ZINC001207455917 800755648 /nfs/dbraw/zinc/75/56/48/800755648.db2.gz FWVRFCGEWRCIJQ-UHFFFAOYSA-N 1 3 322.449 2.055 20 0 DEADHO COC(=O)CC[N@@H+](CCCN(C)C)CCc1ccccc1OC ZINC001207455917 800755655 /nfs/dbraw/zinc/75/56/55/800755655.db2.gz FWVRFCGEWRCIJQ-UHFFFAOYSA-N 1 3 322.449 2.055 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001207649999 800797811 /nfs/dbraw/zinc/79/78/11/800797811.db2.gz RORMXVLZJJJXHQ-QOOKESJHSA-N 1 3 309.498 2.365 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001207649999 800797816 /nfs/dbraw/zinc/79/78/16/800797816.db2.gz RORMXVLZJJJXHQ-QOOKESJHSA-N 1 3 309.498 2.365 20 0 DEADHO CC(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001208035485 800898759 /nfs/dbraw/zinc/89/87/59/800898759.db2.gz KGUANWUSBZASEP-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CC1(C)CC[NH+](C)CC1 ZINC001208108670 800913548 /nfs/dbraw/zinc/91/35/48/800913548.db2.gz GGUQSWGGXYDTHX-JYJNAYRXSA-N 1 3 308.466 2.382 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]([NH2+]CCCCCF)C1)C1CCC1 ZINC001208339470 800960004 /nfs/dbraw/zinc/96/00/04/800960004.db2.gz AGYOTFSYPHVNQE-OAHLLOKOSA-N 1 3 313.461 2.191 20 0 DEADHO C[C@@H]1CN(CCCCC(F)(F)F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208491882 800995136 /nfs/dbraw/zinc/99/51/36/800995136.db2.gz AGAJYJHQYPGPPH-CHWSQXEVSA-N 1 3 323.403 2.107 20 0 DEADHO CC[NH+]1CCC(CN2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)CC1 ZINC001208599636 801024734 /nfs/dbraw/zinc/02/47/34/801024734.db2.gz NLAGUVYPKCPRQE-IPMKNSEASA-N 1 3 322.493 2.377 20 0 DEADHO CN1CCC[C@H](C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)C1 ZINC001208612620 801032909 /nfs/dbraw/zinc/03/29/09/801032909.db2.gz MXNVHAGHYIJPEB-SLFFLAALSA-N 1 3 313.489 2.392 20 0 DEADHO CN1CCC[C@H](C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)C1 ZINC001208612620 801032915 /nfs/dbraw/zinc/03/29/15/801032915.db2.gz MXNVHAGHYIJPEB-SLFFLAALSA-N 1 3 313.489 2.392 20 0 DEADHO C[N@@H+]1CCC[C@@H](CN2CCC(NC(=O)CC(C)(C)C)CC2)C1 ZINC001208618810 801038050 /nfs/dbraw/zinc/03/80/50/801038050.db2.gz SHPWDXYRFMOLTF-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO C[N@H+]1CCC[C@@H](CN2CCC(NC(=O)CC(C)(C)C)CC2)C1 ZINC001208618810 801038055 /nfs/dbraw/zinc/03/80/55/801038055.db2.gz SHPWDXYRFMOLTF-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO O[C@@H]1CCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[C@H]1F ZINC001208941845 801098693 /nfs/dbraw/zinc/09/86/93/801098693.db2.gz NJVXFXWTRUZAMU-KZNAEPCWSA-N 1 3 306.425 2.303 20 0 DEADHO O[C@@H]1CCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[C@H]1F ZINC001208941845 801098700 /nfs/dbraw/zinc/09/87/00/801098700.db2.gz NJVXFXWTRUZAMU-KZNAEPCWSA-N 1 3 306.425 2.303 20 0 DEADHO CCCCCC[NH2+][C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001209643740 801244929 /nfs/dbraw/zinc/24/49/29/801244929.db2.gz WGQUNAJVKUCTKB-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO CC[C@H](F)C[NH2+][C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209661654 801248847 /nfs/dbraw/zinc/24/88/47/801248847.db2.gz YQMDNHAUPUKUTL-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H](F)CC[NH2+][C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209660308 801249214 /nfs/dbraw/zinc/24/92/14/801249214.db2.gz PJLPNPUZXXRBFE-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO CCN(CC)CC(=O)NC1CC[NH+](CCC2CCCC2)CC1 ZINC001229664617 801301896 /nfs/dbraw/zinc/30/18/96/801301896.db2.gz SONVYCUNNXOGNB-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CCN(CC)CC(=O)NC1CC[NH+](CC2=CCCCC2)CC1 ZINC001229678927 801303832 /nfs/dbraw/zinc/30/38/32/801303832.db2.gz NYLHWWCSMAFJJH-UHFFFAOYSA-N 1 3 307.482 2.409 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001210216847 801352130 /nfs/dbraw/zinc/35/21/30/801352130.db2.gz ADHLGXQQHYMSIC-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@@H]2CCCCN2C)C1 ZINC001211319802 801546835 /nfs/dbraw/zinc/54/68/35/801546835.db2.gz FHTNOHGFDQSCMW-BBWFWOEESA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC[C@@H]2CCCCN2C)C1 ZINC001211319802 801546841 /nfs/dbraw/zinc/54/68/41/801546841.db2.gz FHTNOHGFDQSCMW-BBWFWOEESA-N 1 3 324.513 2.138 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC2=CCCCC2)C1)N(C)C ZINC001330656811 1149236432 /nfs/dbraw/zinc/23/64/32/1149236432.db2.gz UEVPXXQNWYCWRJ-ULQDDVLXSA-N 1 3 307.482 2.311 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCC2CCCC2)C1)N(C)C ZINC001330656816 1149236786 /nfs/dbraw/zinc/23/67/86/1149236786.db2.gz UFOREJAOOFFALQ-ULQDDVLXSA-N 1 3 309.498 2.391 20 0 DEADHO CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001214904609 801774199 /nfs/dbraw/zinc/77/41/99/801774199.db2.gz ATFYAQQVBOZSDL-QOOKESJHSA-N 1 3 309.498 2.365 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC(C)C2)C1 ZINC001214997614 801788646 /nfs/dbraw/zinc/78/86/46/801788646.db2.gz KELSLYIFAMTCQB-GYTBAZASSA-N 1 3 309.498 2.199 20 0 DEADHO COC(=O)[C@H]1CN(Cc2cc(F)cc(C[NH+](C)C)c2)C[C@@H]1C ZINC001232148449 801801044 /nfs/dbraw/zinc/80/10/44/801801044.db2.gz CMZHEOTWZZTFPS-LRDDRELGSA-N 1 3 308.397 2.128 20 0 DEADHO CC(=O)N1CCC[C@@H](N(C)Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232150414 801801469 /nfs/dbraw/zinc/80/14/69/801801469.db2.gz VPLDXGFRQROSFQ-GOSISDBHSA-N 1 3 321.440 2.330 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001215994067 801924102 /nfs/dbraw/zinc/92/41/02/801924102.db2.gz OLWLLZDSGGRVIC-RHSMWYFYSA-N 1 3 321.440 2.104 20 0 DEADHO [NH3+]CC1(CC(=O)Nc2cc([C@@H]3CCCN3)no2)CCCCC1 ZINC001218713945 802231743 /nfs/dbraw/zinc/23/17/43/802231743.db2.gz VMBHQDDQDNTICG-LBPRGKRZSA-N 1 3 306.410 2.337 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cnc2occc2c1 ZINC001218749482 802236834 /nfs/dbraw/zinc/23/68/34/802236834.db2.gz BYZDXPAWPCLPCB-AWEZNQCLSA-N 1 3 304.394 2.262 20 0 DEADHO CC(=O)c1cccc(NC(=O)[C@@H](N)CCCC[NH+](C)C)c1C ZINC001219258462 802303335 /nfs/dbraw/zinc/30/33/35/802303335.db2.gz OGAAEILDLHWSRX-HNNXBMFYSA-N 1 3 305.422 2.195 20 0 DEADHO CC[NH+](CC)CCNC(=O)[C@@H](N)CSCc1ccc(C)cc1 ZINC001219555928 802344596 /nfs/dbraw/zinc/34/45/96/802344596.db2.gz ZDKIFEHEGHBMEL-INIZCTEOSA-N 1 3 323.506 2.014 20 0 DEADHO CCC[NH+]1CCC(NC(=O)[C@@](C)(N)Cc2ccc(F)cc2)CC1 ZINC001219954606 802394036 /nfs/dbraw/zinc/39/40/36/802394036.db2.gz MNVBVXPTTVPTOV-SFHVURJKSA-N 1 3 321.440 2.076 20 0 DEADHO CC(C)c1ccc([C@@H](C)NC(=O)[C@H](N)C2CC[NH2+]CC2)cc1 ZINC001220964936 802516379 /nfs/dbraw/zinc/51/63/79/802516379.db2.gz UVLZJNALCVIKQN-CXAGYDPISA-N 1 3 303.450 2.314 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NC[C@H]1CCc2ccccc21 ZINC001221104006 802528254 /nfs/dbraw/zinc/52/82/54/802528254.db2.gz VFSDTETUZQCAJQ-AEFFLSMTSA-N 1 3 317.477 2.328 20 0 DEADHO CCC[NH+](CCC)CCCC(=O)N1C[C@H]2CCN(CC)C[C@H]21 ZINC001221942536 802627967 /nfs/dbraw/zinc/62/79/67/802627967.db2.gz ORXLJXVAESZPRF-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO Clc1ccc2[nH]cc(CN3CCNC4(CC[NH2+]CC4)C3)c2c1 ZINC001222090771 802640195 /nfs/dbraw/zinc/64/01/95/802640195.db2.gz JWWBIDGJOXTEIH-UHFFFAOYSA-N 1 3 318.852 2.349 20 0 DEADHO CCCCC[NH+]1CCC(CNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001224538172 802880759 /nfs/dbraw/zinc/88/07/59/802880759.db2.gz UGXYXFWXBDSZSH-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccns1)N(C)C ZINC001228661861 803389801 /nfs/dbraw/zinc/38/98/01/803389801.db2.gz YGZHXNVSEWMKRL-KFWWJZLASA-N 1 3 324.494 2.000 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CCc2ccccc2)C1)N(C)C ZINC001370023002 1149354079 /nfs/dbraw/zinc/35/40/79/1149354079.db2.gz ZOYQAHGQVSXTCD-QZTJIDSGSA-N 1 3 317.477 2.006 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N(C)C ZINC001370023002 1149354085 /nfs/dbraw/zinc/35/40/85/1149354085.db2.gz ZOYQAHGQVSXTCD-QZTJIDSGSA-N 1 3 317.477 2.006 20 0 DEADHO CC1CC(C[NH2+][C@@H](CNC(=O)C(C)(C)N2CCCC2)C2CC2)C1 ZINC001370214979 1149425866 /nfs/dbraw/zinc/42/58/66/1149425866.db2.gz FOIUFGNIGJIKPP-DQPZFDDXSA-N 1 3 321.509 2.391 20 0 DEADHO CC(C)(C)OC(=O)NOCCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001335567669 1150457715 /nfs/dbraw/zinc/45/77/15/1150457715.db2.gz KEPOFCFMJSJDAK-KBPBESRZSA-N 1 3 313.442 2.049 20 0 DEADHO CC(C)(C)OC(=O)NOCCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001335567669 1150457722 /nfs/dbraw/zinc/45/77/22/1150457722.db2.gz KEPOFCFMJSJDAK-KBPBESRZSA-N 1 3 313.442 2.049 20 0 DEADHO CC(C)[NH2+][C@@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001419896775 1168896564 /nfs/dbraw/zinc/89/65/64/1168896564.db2.gz AWDWZRFVDIYMGU-YOEHRIQHSA-N 1 3 315.477 2.338 20 0 DEADHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@@H](C)[NH2+]Cc1cccnc1 ZINC001368861830 1148726246 /nfs/dbraw/zinc/72/62/46/1148726246.db2.gz BDRNNDTVEKZSQA-HUUCEWRRSA-N 1 3 320.481 2.042 20 0 DEADHO CC(C)[C@@H]1CCN(CN2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)C1=O ZINC001345108130 1150865446 /nfs/dbraw/zinc/86/54/46/1150865446.db2.gz HLDPAQCFGDDPLQ-YVSFHVDLSA-N 1 3 307.482 2.111 20 0 DEADHO CC(C)[C@@H]1CCN(CN2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)C1=O ZINC001345108124 1150865482 /nfs/dbraw/zinc/86/54/82/1150865482.db2.gz HLDPAQCFGDDPLQ-HZMVEIRTSA-N 1 3 307.482 2.111 20 0 DEADHO CCCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@H]1CCN(CC)C1 ZINC001404443892 1163644123 /nfs/dbraw/zinc/64/41/23/1163644123.db2.gz RNWSXHKPGBOMQQ-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO C[NH2+]CCCN(C)C(=O)[C@H]1CCCCN1Cc1cccc(C)c1 ZINC001328594556 1148814131 /nfs/dbraw/zinc/81/41/31/1148814131.db2.gz YVQYJUZQRKQMHU-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO C[NH+](C)CCCC(C)(C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001604684030 1070465465 /nfs/dbraw/zinc/46/54/65/1070465465.db2.gz TZYAKPRJTWAMTR-UHFFFAOYSA-N 1 3 302.426 2.077 20 0 DEADHO C[NH+](C)CCCC(C)(C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001604684030 1070465468 /nfs/dbraw/zinc/46/54/68/1070465468.db2.gz TZYAKPRJTWAMTR-UHFFFAOYSA-N 1 3 302.426 2.077 20 0 DEADHO C[C@@H](CNC(=O)CCC[NH+]1CCCC1)N(C)Cc1ccccc1 ZINC001369007345 1148827077 /nfs/dbraw/zinc/82/70/77/1148827077.db2.gz RHSBJAXDXBQSLK-KRWDZBQOSA-N 1 3 317.477 2.499 20 0 DEADHO [NH3+]C1CCC([NH2+][C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)CC1 ZINC001606436784 1071144706 /nfs/dbraw/zinc/14/47/06/1071144706.db2.gz IWPWRAZLNWERJS-XUJLQICISA-N 1 3 312.421 2.104 20 0 DEADHO [NH3+]C1CCC([NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)CC1 ZINC001606436784 1071144713 /nfs/dbraw/zinc/14/47/13/1071144713.db2.gz IWPWRAZLNWERJS-XUJLQICISA-N 1 3 312.421 2.104 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@H+](CC1CC(C)C1)C2 ZINC001369147867 1148856660 /nfs/dbraw/zinc/85/66/60/1148856660.db2.gz CBSAWPCDUUUPJO-UHFFFAOYSA-N 1 3 321.509 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@@H+](CC1CC(C)C1)C2 ZINC001369147867 1148856661 /nfs/dbraw/zinc/85/66/61/1148856661.db2.gz CBSAWPCDUUUPJO-UHFFFAOYSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C)C1(C)CC1 ZINC001460888196 1058535804 /nfs/dbraw/zinc/53/58/04/1058535804.db2.gz FCCQIWHQWMINCU-ZBFHGGJFSA-N 1 3 303.450 2.184 20 0 DEADHO CC(C)CC[NH2+]C[C@]1(C)CCN(C(=O)CN(C)C2CCC2)C1 ZINC001500354420 1058717445 /nfs/dbraw/zinc/71/74/45/1058717445.db2.gz RNWVGKFESKHTJW-SFHVURJKSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CCC(F)(F)F)C1)N(C)C ZINC001500393033 1058746848 /nfs/dbraw/zinc/74/68/48/1058746848.db2.gz KKQZTKUSDVZYJX-JSGCOSHPSA-N 1 3 323.403 2.107 20 0 DEADHO CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN(C)C(C)C)C2 ZINC001501174077 1059352022 /nfs/dbraw/zinc/35/20/22/1059352022.db2.gz ZXIPXTBLBGGZIB-BJWYYQGGSA-N 1 3 309.498 2.486 20 0 DEADHO CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN(C)C(C)C)C2 ZINC001501174077 1059352045 /nfs/dbraw/zinc/35/20/45/1059352045.db2.gz ZXIPXTBLBGGZIB-BJWYYQGGSA-N 1 3 309.498 2.486 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+]CC2(CO)CCCC2)CC1 ZINC001474628509 1060906000 /nfs/dbraw/zinc/90/60/00/1060906000.db2.gz LFWVFJONFKSPJC-UHFFFAOYSA-N 1 3 310.482 2.162 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)CC1CCCC1 ZINC001505918067 1061133507 /nfs/dbraw/zinc/13/35/07/1061133507.db2.gz FQRAUXITADAGRS-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC1CCCC1 ZINC001505918067 1061133516 /nfs/dbraw/zinc/13/35/16/1061133516.db2.gz FQRAUXITADAGRS-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[C@H](CCN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CC1CCC1 ZINC001506159134 1061694369 /nfs/dbraw/zinc/69/43/69/1061694369.db2.gz NLWNJJGRLISOGL-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001480085442 1062303739 /nfs/dbraw/zinc/30/37/39/1062303739.db2.gz RKAUTTPMUGEEHI-ROUUACIJSA-N 1 3 321.509 2.465 20 0 DEADHO CC(C)=CC[N@H+](C)C[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001480085442 1062303757 /nfs/dbraw/zinc/30/37/57/1062303757.db2.gz RKAUTTPMUGEEHI-ROUUACIJSA-N 1 3 321.509 2.465 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[N@@H+](C(C)C)CC1(C)C)N1CCCC1 ZINC001506753081 1062366591 /nfs/dbraw/zinc/36/65/91/1062366591.db2.gz NBSPLLINIMXCLG-JKSUJKDBSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[N@H+](C(C)C)CC1(C)C)N1CCCC1 ZINC001506753081 1062366606 /nfs/dbraw/zinc/36/66/06/1062366606.db2.gz NBSPLLINIMXCLG-JKSUJKDBSA-N 1 3 309.498 2.342 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001506903869 1062491953 /nfs/dbraw/zinc/49/19/53/1062491953.db2.gz RWGOCSBIZBHGJQ-HAQNSBGRSA-N 1 3 322.280 2.132 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)[C@@H](C[NH2+]CC2CCCC2)C2CC2)C1 ZINC001507026387 1062692840 /nfs/dbraw/zinc/69/28/40/1062692840.db2.gz CCAIJKAQLLCELH-YJBOKZPZSA-N 1 3 321.509 2.345 20 0 DEADHO CCc1ccccc1C[NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001480476048 1062911146 /nfs/dbraw/zinc/91/11/46/1062911146.db2.gz VYKCTELXIPAGRS-HNNXBMFYSA-N 1 3 317.477 2.328 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCc2cccs2)C[C@H]1C ZINC001507327924 1063100967 /nfs/dbraw/zinc/10/09/67/1063100967.db2.gz LPKKPMMMADUQRQ-CABCVRRESA-N 1 3 323.506 2.211 20 0 DEADHO CC(C)[NH+]1CCC(C2(NC(=O)CN3CC[C@@H](C)C3)CC2)CC1 ZINC001508166519 1063588329 /nfs/dbraw/zinc/58/83/29/1063588329.db2.gz SQMASUWDDBIZDW-OAHLLOKOSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@H](C(=O)NCC1=CC[N@H+](CC[C@@H](C)F)CC1)N(C)C ZINC001508219201 1063614051 /nfs/dbraw/zinc/61/40/51/1063614051.db2.gz DEEPCQSVFVYZJK-GDBMZVCRSA-N 1 3 313.461 2.069 20 0 DEADHO CC(C)[C@H](C(=O)NCC1=CC[N@@H+](CC[C@@H](C)F)CC1)N(C)C ZINC001508219201 1063614060 /nfs/dbraw/zinc/61/40/60/1063614060.db2.gz DEEPCQSVFVYZJK-GDBMZVCRSA-N 1 3 313.461 2.069 20 0 DEADHO CC[C@H](F)C[NH2+][C@H](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001493852146 1063992740 /nfs/dbraw/zinc/99/27/40/1063992740.db2.gz XTESCUYSBSZYPC-ZBFHGGJFSA-N 1 3 315.477 2.291 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1cccc(C)c1 ZINC001567611394 1064279922 /nfs/dbraw/zinc/27/99/22/1064279922.db2.gz FMGCYOWHWASDDB-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO CCCCC[N@@H+]1CC[C@H](N(CC)C(=O)CN2CC[C@H](C)C2)C1 ZINC001494910512 1064568463 /nfs/dbraw/zinc/56/84/63/1064568463.db2.gz NIRHMKBKBSTSFL-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO CCCCC[N@H+]1CC[C@H](N(CC)C(=O)CN2CC[C@H](C)C2)C1 ZINC001494910512 1064568477 /nfs/dbraw/zinc/56/84/77/1064568477.db2.gz NIRHMKBKBSTSFL-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO CC[NH2+]C[C@](C)(NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001495277409 1064803002 /nfs/dbraw/zinc/80/30/02/1064803002.db2.gz OWFGHOQOUBFVEZ-IRXDYDNUSA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]CC2CC2)C1)N(C)C ZINC001495379565 1064870925 /nfs/dbraw/zinc/87/09/25/1064870925.db2.gz NFZFGVBIQZNMJT-IRXDYDNUSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@H](CC[NH2+]CC1CC2(CCC2)C1)NC(=O)CN1CC[C@H](C)C1 ZINC001568677768 1065044592 /nfs/dbraw/zinc/04/45/92/1065044592.db2.gz GEPHCAALGOMCDC-JKSUJKDBSA-N 1 3 321.509 2.393 20 0 DEADHO C[NH+](C)Cc1ccc(C(=O)NC/C=C/CNC/C=C\Cl)cc1 ZINC001568937817 1065200158 /nfs/dbraw/zinc/20/01/58/1065200158.db2.gz ZGHIXOLBHWPMCW-STMOGGTPSA-N 1 3 321.852 2.376 20 0 DEADHO C[C@@H](C[NH2+]CCC1=CCCCC1)NC(=O)C1(N(C)C)CCC1 ZINC001569061426 1065264566 /nfs/dbraw/zinc/26/45/66/1065264566.db2.gz HFHPEYBQVWPVHE-HNNXBMFYSA-N 1 3 307.482 2.456 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CC1CCC1 ZINC001496483807 1065502660 /nfs/dbraw/zinc/50/26/60/1065502660.db2.gz AFSCWLPPKARCKY-NVXWUHKLSA-N 1 3 309.498 2.345 20 0 DEADHO CCCCC[NH+]1CCC(C)(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001569575542 1065603333 /nfs/dbraw/zinc/60/33/33/1065603333.db2.gz UYNLMBROCWEBFN-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CCN(CCNC/C=C\Cl)C(=O)C12CCC[NH+](CCC1)C2 ZINC001497406453 1066077777 /nfs/dbraw/zinc/07/77/77/1066077777.db2.gz AVXHDHHQCFHZDS-YVMONPNESA-N 1 3 313.873 2.053 20 0 DEADHO CC(C)(C[NH3+])CC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC001575310235 1066260294 /nfs/dbraw/zinc/26/02/94/1066260294.db2.gz DHIIDIVNLPYIEQ-ZDUSSCGKSA-N 1 3 309.479 2.376 20 0 DEADHO C[C@H](CN1CCC(CC[NH3+])CC1)c1ccc(S(C)(=O)=O)cc1 ZINC001576004894 1066474397 /nfs/dbraw/zinc/47/43/97/1066474397.db2.gz IJUCLFJTDDGINY-CQSZACIVSA-N 1 3 324.490 2.254 20 0 DEADHO C[C@H]1C[C@H](C[N@@H+]2CCC[C@@H](N)C2)CCN1C(=O)OC(C)(C)C ZINC001576600246 1066643733 /nfs/dbraw/zinc/64/37/33/1066643733.db2.gz ZUOQWRIENZUNPW-RRFJBIMHSA-N 1 3 311.470 2.445 20 0 DEADHO C[C@H]1C[C@H](C[N@H+]2CCC[C@@H](N)C2)CCN1C(=O)OC(C)(C)C ZINC001576600246 1066643736 /nfs/dbraw/zinc/64/37/36/1066643736.db2.gz ZUOQWRIENZUNPW-RRFJBIMHSA-N 1 3 311.470 2.445 20 0 DEADHO CC[C@@H](CNC(=O)[C@@](C)(CC)C[NH3+])N1CCc2ccccc2C1 ZINC001577084699 1066759465 /nfs/dbraw/zinc/75/94/65/1066759465.db2.gz FJIUWTDENDDHIF-HKUYNNGSSA-N 1 3 317.477 2.315 20 0 DEADHO CC[C@@H]1CN(C(=O)c2ccc(NC3=NCCC3)cc2)CC[C@@H]1[NH3+] ZINC001577279725 1066806485 /nfs/dbraw/zinc/80/64/85/1066806485.db2.gz OWNGPTRUUKWLSS-CJNGLKHVSA-N 1 3 314.433 2.490 20 0 DEADHO CC[C@@H]1CN(C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC[C@H]1[NH3+] ZINC001577279588 1066807157 /nfs/dbraw/zinc/80/71/57/1066807157.db2.gz LEQNVEYHEVVOBH-APIJFGDWSA-N 1 3 311.470 2.349 20 0 DEADHO CC[C@@H]1C[N@H+](C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC[C@H]1N ZINC001577279588 1066807165 /nfs/dbraw/zinc/80/71/65/1066807165.db2.gz LEQNVEYHEVVOBH-APIJFGDWSA-N 1 3 311.470 2.349 20 0 DEADHO CC[C@@H]1C[N@@H+](C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC[C@H]1N ZINC001577279588 1066807173 /nfs/dbraw/zinc/80/71/73/1066807173.db2.gz LEQNVEYHEVVOBH-APIJFGDWSA-N 1 3 311.470 2.349 20 0 DEADHO CCN(C(=O)[C@@H]1CC[NH2+][C@H]1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001577628558 1066889889 /nfs/dbraw/zinc/88/98/89/1066889889.db2.gz UDTOAHIVWXZVIV-CGTJXYLNSA-N 1 3 315.461 2.107 20 0 DEADHO CN(C)c1cc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)ccn1 ZINC001578422605 1067093944 /nfs/dbraw/zinc/09/39/44/1067093944.db2.gz AUQMTUYKPNKRFM-QGZVFWFLSA-N 1 3 302.466 2.359 20 0 DEADHO CCCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001499605740 1067275050 /nfs/dbraw/zinc/27/50/50/1067275050.db2.gz HDARSCIUEPLYQE-AEFFLSMTSA-N 1 3 309.498 2.441 20 0 DEADHO CCCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001499605740 1067275057 /nfs/dbraw/zinc/27/50/57/1067275057.db2.gz HDARSCIUEPLYQE-AEFFLSMTSA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@H](F)CN1CC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001499613880 1067278079 /nfs/dbraw/zinc/27/80/79/1067278079.db2.gz IMRVSWPMSPMPQX-DOTOQJQBSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@@H](F)CN1CC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001499613881 1067278239 /nfs/dbraw/zinc/27/82/39/1067278239.db2.gz IMRVSWPMSPMPQX-NVXWUHKLSA-N 1 3 313.461 2.001 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CC2CC2)CCC1 ZINC001483438436 1078533878 /nfs/dbraw/zinc/53/38/78/1078533878.db2.gz SXBBKYHPCUNFBM-JKSUJKDBSA-N 1 3 307.482 2.145 20 0 DEADHO FC1(c2ccccn2)CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC001580028494 1067474952 /nfs/dbraw/zinc/47/49/52/1067474952.db2.gz ZLAYSXCLDDIKID-RDJZCZTQSA-N 1 3 319.424 2.111 20 0 DEADHO CC[C@H](C(=O)N(C)CCC[NH2+]CC=C(Cl)Cl)N(C)C ZINC001483474531 1078556649 /nfs/dbraw/zinc/55/66/49/1078556649.db2.gz RSZBRSKVGWLNDE-LLVKDONJSA-N 1 3 310.269 2.084 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]CC1=CCCCC1)C1CC1 ZINC001483608889 1078624592 /nfs/dbraw/zinc/62/45/92/1078624592.db2.gz VTLOXASNVUJLDO-KRWDZBQOSA-N 1 3 307.482 2.311 20 0 DEADHO C[C@H](NC(=O)C(C)(C)N1CCCCC1)[C@H](C)[NH2+]CCCF ZINC001570604979 1068033275 /nfs/dbraw/zinc/03/32/75/1068033275.db2.gz OSTQELJTDJTAIT-KBPBESRZSA-N 1 3 301.450 2.093 20 0 DEADHO CCCCC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC001571463751 1068312831 /nfs/dbraw/zinc/31/28/31/1068312831.db2.gz AOJJVGPZJOQDGO-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC2=CCCCC2)[C@@H]1C ZINC001571466192 1068318056 /nfs/dbraw/zinc/31/80/56/1068318056.db2.gz QWLIQQZXOXDYTL-DOTOQJQBSA-N 1 3 307.482 2.408 20 0 DEADHO CCCCC[N@H+]1CC=C(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001571689268 1068481850 /nfs/dbraw/zinc/48/18/50/1068481850.db2.gz PZZBXBLHSPURJU-UHFFFAOYSA-N 1 3 307.482 2.409 20 0 DEADHO CCCCC[N@@H+]1CC=C(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001571689268 1068481857 /nfs/dbraw/zinc/48/18/57/1068481857.db2.gz PZZBXBLHSPURJU-UHFFFAOYSA-N 1 3 307.482 2.409 20 0 DEADHO CC[C@@H]1CN(C(=O)NCC[N@@H+]2CCCC[C@@H]2CC)[C@H](CC)CN1 ZINC001573717137 1069077572 /nfs/dbraw/zinc/07/75/72/1069077572.db2.gz FRLBTELDPDZTMB-IXDOHACOSA-N 1 3 324.513 2.423 20 0 DEADHO CC[C@@H]1CN(C(=O)NCC[N@H+]2CCCC[C@@H]2CC)[C@H](CC)CN1 ZINC001573717137 1069077578 /nfs/dbraw/zinc/07/75/78/1069077578.db2.gz FRLBTELDPDZTMB-IXDOHACOSA-N 1 3 324.513 2.423 20 0 DEADHO CN(C)c1nc(C(F)(F)F)ccc1CN1CCC(C[NH3+])CC1 ZINC001573866121 1069123713 /nfs/dbraw/zinc/12/37/13/1069123713.db2.gz ZFYZHJYDZRLUGI-UHFFFAOYSA-N 1 3 316.371 2.337 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[NH2+]Cc1cc(C)sc1C)N(C)C ZINC001267456550 1078864697 /nfs/dbraw/zinc/86/46/97/1078864697.db2.gz AXSWPIBVOQBHDG-HNNXBMFYSA-N 1 3 311.495 2.253 20 0 DEADHO COC(=O)c1ccccc1CN1CCCC2(CC[NH2+]CC2)C1 ZINC001645878280 1079036139 /nfs/dbraw/zinc/03/61/39/1079036139.db2.gz UWAUKINZSNQUOT-UHFFFAOYSA-N 1 3 302.418 2.439 20 0 DEADHO c1n[nH]cc1[C@@H]1OCCC[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001549549878 1073189952 /nfs/dbraw/zinc/18/99/52/1073189952.db2.gz RIKIDLZJQZVBGU-MWQQHZPXSA-N 1 3 304.438 2.094 20 0 DEADHO c1n[nH]cc1[C@@H]1OCCC[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001549549878 1073189957 /nfs/dbraw/zinc/18/99/57/1073189957.db2.gz RIKIDLZJQZVBGU-MWQQHZPXSA-N 1 3 304.438 2.094 20 0 DEADHO CC[NH+](CC)C1CCN(C(=O)NC[C@@H]2CCN2C(C)(C)C)CC1 ZINC001645964883 1079062498 /nfs/dbraw/zinc/06/24/98/1079062498.db2.gz RIEDQQQBIJUTAS-INIZCTEOSA-N 1 3 324.513 2.375 20 0 DEADHO CCn1cc([C@@H]2OCC[C@@H]2C[N@@H+]2CC[C@H]3[C@@H](CCN3C)C2)cn1 ZINC001550129731 1073445194 /nfs/dbraw/zinc/44/51/94/1073445194.db2.gz YQBCWKXDRWRETI-CIRFHOKZSA-N 1 3 318.465 2.007 20 0 DEADHO CCn1cc([C@@H]2OCC[C@@H]2C[N@H+]2CC[C@H]3[C@@H](CCN3C)C2)cn1 ZINC001550129731 1073445196 /nfs/dbraw/zinc/44/51/96/1073445196.db2.gz YQBCWKXDRWRETI-CIRFHOKZSA-N 1 3 318.465 2.007 20 0 DEADHO Cc1cc(C)c(CN[C@@H]2CCC[C@H]2[N@@H+]2CC[C@@H](O)C2)c(C)n1 ZINC001550133424 1073449599 /nfs/dbraw/zinc/44/95/99/1073449599.db2.gz GFVJTTOKIHSQRC-KBAYOESNSA-N 1 3 303.450 2.084 20 0 DEADHO Cc1cc(C)c(CN[C@@H]2CCC[C@H]2[N@H+]2CC[C@@H](O)C2)c(C)n1 ZINC001550133424 1073449603 /nfs/dbraw/zinc/44/96/03/1073449603.db2.gz GFVJTTOKIHSQRC-KBAYOESNSA-N 1 3 303.450 2.084 20 0 DEADHO CC(C)C[NH2+]C1(CNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001483793383 1079124360 /nfs/dbraw/zinc/12/43/60/1079124360.db2.gz CYGWIYBVQQGRQL-UHFFFAOYSA-N 1 3 303.450 2.256 20 0 DEADHO CCc1ncc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@@H]2O)s1 ZINC001550422175 1073647208 /nfs/dbraw/zinc/64/72/08/1073647208.db2.gz OPDVPSHAGNODJM-OHFALNGGSA-N 1 3 323.506 2.275 20 0 DEADHO CCc1ncc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@@H]2O)s1 ZINC001550422175 1073647202 /nfs/dbraw/zinc/64/72/02/1073647202.db2.gz OPDVPSHAGNODJM-OHFALNGGSA-N 1 3 323.506 2.275 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@H]2CN(Cc3cc4n(n3)CCCC4)C[C@@H]2C1 ZINC001551263980 1074140092 /nfs/dbraw/zinc/14/00/92/1074140092.db2.gz ZYUYQGVAVSJKDL-YQQAZPJKSA-N 1 3 302.466 2.382 20 0 DEADHO CCC[N@@H+]1CC[C@](C)(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001484057880 1079280089 /nfs/dbraw/zinc/28/00/89/1079280089.db2.gz MMLITYQTJBAMBN-IRXDYDNUSA-N 1 3 313.461 2.190 20 0 DEADHO CCC[N@H+]1CC[C@](C)(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001484057880 1079280101 /nfs/dbraw/zinc/28/01/01/1079280101.db2.gz MMLITYQTJBAMBN-IRXDYDNUSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H]1CCCN(C(=O)c2cc3c(s2)CCNC3)[C@H]1CCC[NH3+] ZINC001552441027 1074576330 /nfs/dbraw/zinc/57/63/30/1074576330.db2.gz TXLZDDUHILTWHI-JSGCOSHPSA-N 1 3 321.490 2.373 20 0 DEADHO Cc1cccc(F)c1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001649906056 1079297208 /nfs/dbraw/zinc/29/72/08/1079297208.db2.gz VOZIRHOQDZMXGD-AWEZNQCLSA-N 1 3 309.429 2.136 20 0 DEADHO Cc1cccc(F)c1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001649906056 1079297211 /nfs/dbraw/zinc/29/72/11/1079297211.db2.gz VOZIRHOQDZMXGD-AWEZNQCLSA-N 1 3 309.429 2.136 20 0 DEADHO CC[NH+](CC)CC[C@@H](C)NC(=O)c1ccc2c(c1)OCCNC2 ZINC001646837763 1074643318 /nfs/dbraw/zinc/64/33/18/1074643318.db2.gz NCTSKAAESRUBKQ-CQSZACIVSA-N 1 3 319.449 2.019 20 0 DEADHO CCC[NH+](CCC)CCCN1CCN(CCCCCO)CC1 ZINC001236434360 1079304039 /nfs/dbraw/zinc/30/40/39/1079304039.db2.gz RIHVPHWMDUKQBA-UHFFFAOYSA-N 1 3 313.530 2.279 20 0 DEADHO CC1(C)[C@@H]2NCCC[C@H]2[C@@H]1[NH2+]C1CCN(c2nccs2)CC1 ZINC001553026841 1074741849 /nfs/dbraw/zinc/74/18/49/1074741849.db2.gz ZANQKAGFTKIQFA-KFWWJZLASA-N 1 3 320.506 2.478 20 0 DEADHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]C/C=C/c1ccccc1)N(C)C ZINC001369281997 1148890551 /nfs/dbraw/zinc/89/05/51/1148890551.db2.gz FSDTZAFEVXOYLL-PZQFMBMYSA-N 1 3 317.477 2.477 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@H+](CC1CC(C)(C)C1)C1CC1 ZINC001481199412 1079330976 /nfs/dbraw/zinc/33/09/76/1079330976.db2.gz FAKLIHPJTUWPQV-UHFFFAOYSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@@H+](CC1CC(C)(C)C1)C1CC1 ZINC001481199412 1079330979 /nfs/dbraw/zinc/33/09/79/1079330979.db2.gz FAKLIHPJTUWPQV-UHFFFAOYSA-N 1 3 309.498 2.343 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)N1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC001553556595 1074914850 /nfs/dbraw/zinc/91/48/50/1074914850.db2.gz YCQHXDNUTWXAFY-CVEARBPZSA-N 1 3 322.497 2.164 20 0 DEADHO CC(C)CCC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001566775431 1075341049 /nfs/dbraw/zinc/34/10/49/1075341049.db2.gz GNFSPIMEKQIWDK-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO CCCCC[N@@H+]1CCC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001566878279 1075371359 /nfs/dbraw/zinc/37/13/59/1075371359.db2.gz OVKFQSBIFORTRS-DLBZAZTESA-N 1 3 309.498 2.347 20 0 DEADHO CCCCC[N@H+]1CCC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001566878279 1075371361 /nfs/dbraw/zinc/37/13/61/1075371361.db2.gz OVKFQSBIFORTRS-DLBZAZTESA-N 1 3 309.498 2.347 20 0 DEADHO CCCCCC[NH2+]C[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001567140259 1075442756 /nfs/dbraw/zinc/44/27/56/1075442756.db2.gz KSHQPBVRXAVJLH-DLBZAZTESA-N 1 3 309.498 2.347 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001567142131 1075443611 /nfs/dbraw/zinc/44/36/11/1075443611.db2.gz PTNINWYXHPXPIL-INIZCTEOSA-N 1 3 316.449 2.281 20 0 DEADHO CN1CC[C@@H](C[NH2+]C[C@H](O)c2ccccc2Br)C1 ZINC001650160037 1079428170 /nfs/dbraw/zinc/42/81/70/1079428170.db2.gz YCIZMKRWUBZSQB-FZMZJTMJSA-N 1 3 313.239 2.024 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@H](CNC[C@@H](O)CC2(CO)CCCC2)C1 ZINC001650160750 1079428177 /nfs/dbraw/zinc/42/81/77/1079428177.db2.gz NXKQWQTTZCYNBZ-CVEARBPZSA-N 1 3 312.498 2.000 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@H](CNC[C@@H](O)CC2(CO)CCCC2)C1 ZINC001650160750 1079428179 /nfs/dbraw/zinc/42/81/79/1079428179.db2.gz NXKQWQTTZCYNBZ-CVEARBPZSA-N 1 3 312.498 2.000 20 0 DEADHO c1ccc2c(c1)C[NH2+]CC1(CCN(CCOC3CC3)CC1)O2 ZINC001580896553 1076017832 /nfs/dbraw/zinc/01/78/32/1076017832.db2.gz HWZNZVFVLFXBMJ-UHFFFAOYSA-N 1 3 302.418 2.182 20 0 DEADHO C[C@@H]([NH2+]CCCF)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001484346780 1079554974 /nfs/dbraw/zinc/55/49/74/1079554974.db2.gz CQANTJDKQLDVBG-CABCVRRESA-N 1 3 315.477 2.151 20 0 DEADHO C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC001650396120 1079585906 /nfs/dbraw/zinc/58/59/06/1079585906.db2.gz LOPWIAMNHAVAJQ-PMPSAXMXSA-N 1 3 315.461 2.493 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC001650413647 1079602950 /nfs/dbraw/zinc/60/29/50/1079602950.db2.gz QCXKTENWTGDNHO-XHSDSOJGSA-N 1 3 307.482 2.369 20 0 DEADHO CC1(C)CC(C[NH2+]CC[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001484539533 1079651547 /nfs/dbraw/zinc/65/15/47/1079651547.db2.gz NTGNGLFORDHIRK-AWEZNQCLSA-N 1 3 318.465 2.217 20 0 DEADHO C[C@@H](NCCF)c1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001484564007 1079662470 /nfs/dbraw/zinc/66/24/70/1079662470.db2.gz ZFVWAAQWRUJPOJ-CQSZACIVSA-N 1 3 319.424 2.019 20 0 DEADHO CCCC[NH2+][C@H](C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001481342237 1079736497 /nfs/dbraw/zinc/73/64/97/1079736497.db2.gz NGYGJBZTNUZCRK-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO CN(CC(=O)NC[C@H]([NH2+]CC1CC1)c1ccccc1)C1CCC1 ZINC001481367170 1079761136 /nfs/dbraw/zinc/76/11/36/1079761136.db2.gz MLYLFZCVIQGXIL-SFHVURJKSA-N 1 3 315.461 2.328 20 0 DEADHO CC[NH+](CC)CCOCCNCc1cnc(C(C)(C)C)nc1 ZINC001650921452 1079781046 /nfs/dbraw/zinc/78/10/46/1079781046.db2.gz BENMRLHVLPQOER-UHFFFAOYSA-N 1 3 308.470 2.222 20 0 DEADHO COCCOc1cccc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)c1 ZINC001651697842 1079826901 /nfs/dbraw/zinc/82/69/01/1079826901.db2.gz KCQCBCUTUBAJDS-RYQLBKOJSA-N 1 3 304.434 2.142 20 0 DEADHO CC(C)=CC[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCCC1 ZINC001268034089 1079856795 /nfs/dbraw/zinc/85/67/95/1079856795.db2.gz APZIPASLAOCPOF-UHFFFAOYSA-N 1 3 307.482 2.456 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]CCCF)CCCC1 ZINC001268035908 1079865573 /nfs/dbraw/zinc/86/55/73/1079865573.db2.gz SVPKDVNYXLVSRP-HNNXBMFYSA-N 1 3 313.461 2.239 20 0 DEADHO CCOc1cccc(C[NH2+]C[C@H](C)N2CCN(CC)CC2)c1 ZINC000069681297 1079969035 /nfs/dbraw/zinc/96/90/35/1079969035.db2.gz VCKHQHVRAFMCHO-INIZCTEOSA-N 1 3 305.466 2.201 20 0 DEADHO CCCN(C)CC(=O)NC1CC(C[NH2+]CC=C(Cl)Cl)C1 ZINC001485108905 1079986797 /nfs/dbraw/zinc/98/67/97/1079986797.db2.gz RWGOCSBIZBHGJQ-UHFFFAOYSA-N 1 3 322.280 2.132 20 0 DEADHO C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)NCc1ccccc1F ZINC001485185452 1080044629 /nfs/dbraw/zinc/04/46/29/1080044629.db2.gz FKJZGGFFRHKKBZ-UONOGXRCSA-N 1 3 309.429 2.150 20 0 DEADHO CCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001268171221 1080159393 /nfs/dbraw/zinc/15/93/93/1080159393.db2.gz LRWHFCFACVGRJB-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000074249188 1080205341 /nfs/dbraw/zinc/20/53/41/1080205341.db2.gz OJCVLZHXMLTZOK-GOSISDBHSA-N 1 3 317.477 2.499 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000074249188 1080205350 /nfs/dbraw/zinc/20/53/50/1080205350.db2.gz OJCVLZHXMLTZOK-GOSISDBHSA-N 1 3 317.477 2.499 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001485622954 1080338106 /nfs/dbraw/zinc/33/81/06/1080338106.db2.gz GFTXUHYCUXONTH-PHZGNYQRSA-N 1 3 309.498 2.058 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC001485622954 1080338108 /nfs/dbraw/zinc/33/81/08/1080338108.db2.gz GFTXUHYCUXONTH-PHZGNYQRSA-N 1 3 309.498 2.058 20 0 DEADHO CC(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001485683216 1080366901 /nfs/dbraw/zinc/36/69/01/1080366901.db2.gz IZYZNJIKZFBGIH-WKILWMFISA-N 1 3 309.498 2.391 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)CCNC/C=C/Cl ZINC001268457357 1080519521 /nfs/dbraw/zinc/51/95/21/1080519521.db2.gz YCXUZAXAYWXDCJ-IZPAUZPXSA-N 1 3 301.862 2.051 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(CC)CCNC/C=C/Cl ZINC001268457357 1080519523 /nfs/dbraw/zinc/51/95/23/1080519523.db2.gz YCXUZAXAYWXDCJ-IZPAUZPXSA-N 1 3 301.862 2.051 20 0 DEADHO CC(C)CCC[NH2+]C[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001662713257 1080639509 /nfs/dbraw/zinc/63/95/09/1080639509.db2.gz YRPDLISUVQNPLS-SJORKVTESA-N 1 3 311.514 2.447 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[N@H+](CC3=CCCCC3)C2)C1 ZINC001663620078 1080790213 /nfs/dbraw/zinc/79/02/13/1080790213.db2.gz KDPFCCCNJUMUML-FUHWJXTLSA-N 1 3 319.493 2.267 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001663620078 1080790222 /nfs/dbraw/zinc/79/02/22/1080790222.db2.gz KDPFCCCNJUMUML-FUHWJXTLSA-N 1 3 319.493 2.267 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCc2ccsc2)CC[N@@H+]1C ZINC001663942785 1080839918 /nfs/dbraw/zinc/83/99/18/1080839918.db2.gz XEEXWBFWRSBEDQ-LSDHHAIUSA-N 1 3 309.479 2.026 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCc2ccsc2)CC[N@H+]1C ZINC001663942785 1080839927 /nfs/dbraw/zinc/83/99/27/1080839927.db2.gz XEEXWBFWRSBEDQ-LSDHHAIUSA-N 1 3 309.479 2.026 20 0 DEADHO CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc1ccc(C)c(C)c1)N(C)C ZINC001268593220 1080840729 /nfs/dbraw/zinc/84/07/29/1080840729.db2.gz RZKCAHHOUVURKP-DVBCCOPCSA-N 1 3 317.477 2.406 20 0 DEADHO CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc1ccc(C)c(C)c1)N(C)C ZINC001268593221 1080841090 /nfs/dbraw/zinc/84/10/90/1080841090.db2.gz RZKCAHHOUVURKP-ZEVQVBBLSA-N 1 3 317.477 2.406 20 0 DEADHO CC(C)[C@H](C(=O)N(C)CC[NH2+]C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001664320457 1080894032 /nfs/dbraw/zinc/89/40/32/1080894032.db2.gz AHLJQKABOBOEBQ-ZIAGYGMSSA-N 1 3 319.440 2.056 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCC(F)(F)F ZINC001268706330 1080944381 /nfs/dbraw/zinc/94/43/81/1080944381.db2.gz DXZNTFOWWASIJE-STQMWFEESA-N 1 3 323.403 2.296 20 0 DEADHO C[C@@H](C[NH2+]C/C=C\Cl)NC(=O)c1cccc(CN(C)C)c1 ZINC001268716526 1080947748 /nfs/dbraw/zinc/94/77/48/1080947748.db2.gz GBNTXPOMZDDEDE-UJZCVKTISA-N 1 3 309.841 2.209 20 0 DEADHO CCc1ccccc1C[NH2+]CCCN(C)C(=O)Cc1c[nH]cn1 ZINC001268861625 1081023635 /nfs/dbraw/zinc/02/36/35/1081023635.db2.gz ZARQTHWHQAFRMM-UHFFFAOYSA-N 1 3 314.433 2.153 20 0 DEADHO CC/C=C/CC[NH+]1CC(CNC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001268910726 1081041532 /nfs/dbraw/zinc/04/15/32/1081041532.db2.gz CUKQAAMSUYROIW-DOOVEFGSSA-N 1 3 307.482 2.264 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC(CC[NH2+]CCC3CC3)CC2)C1 ZINC001666244707 1081136333 /nfs/dbraw/zinc/13/63/33/1081136333.db2.gz GOOMZJBVLFHKFV-MRXNPFEDSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(CC2CCCCCC2)CC1 ZINC000950509934 1081357704 /nfs/dbraw/zinc/35/77/04/1081357704.db2.gz KCNXPEUHLRCTDN-SJLPKXTDSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(CC2CCCCCC2)CC1 ZINC000950509934 1081357711 /nfs/dbraw/zinc/35/77/11/1081357711.db2.gz KCNXPEUHLRCTDN-SJLPKXTDSA-N 1 3 321.509 2.299 20 0 DEADHO CN(C)Cc1cccc(C(=O)N(C)CCC[NH2+]CC2CC2)c1 ZINC001670357410 1081512678 /nfs/dbraw/zinc/51/26/78/1081512678.db2.gz DSZUJKPAMGIEGV-UHFFFAOYSA-N 1 3 303.450 2.210 20 0 DEADHO C[N@H+]1CC[C@H]2CN(C(=O)[C@@H]3CCN3C3CCCCC3)C[C@H]2CC1 ZINC001270915943 1081836353 /nfs/dbraw/zinc/83/63/53/1081836353.db2.gz LEXAESUWOUNCFS-JZXOWHBKSA-N 1 3 319.493 2.194 20 0 DEADHO C[N@@H+]1CC[C@H]2CN(C(=O)[C@@H]3CCN3C3CCCCC3)C[C@H]2CC1 ZINC001270915943 1081836357 /nfs/dbraw/zinc/83/63/57/1081836357.db2.gz LEXAESUWOUNCFS-JZXOWHBKSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](CCCCCF)[C@H](C)C1 ZINC001674156804 1081849280 /nfs/dbraw/zinc/84/92/80/1081849280.db2.gz WTLWHORMPVBLAU-HZPDHXFCSA-N 1 3 315.477 2.436 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](CCCCCF)[C@H](C)C1 ZINC001674156804 1081849284 /nfs/dbraw/zinc/84/92/84/1081849284.db2.gz WTLWHORMPVBLAU-HZPDHXFCSA-N 1 3 315.477 2.436 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H]1CCCN(C)C1 ZINC000088717698 1081867617 /nfs/dbraw/zinc/86/76/17/1081867617.db2.gz FFDYEEIXEFMDSV-NEWSRXKRSA-N 1 3 301.478 2.438 20 0 DEADHO CC(C)C[C@@H](C[NH2+]CCF)NC(=O)[C@H]1CCCCN1C(C)C ZINC001271304727 1082008899 /nfs/dbraw/zinc/00/88/99/1082008899.db2.gz MSCRQAYHNNBZBO-JKSUJKDBSA-N 1 3 315.477 2.339 20 0 DEADHO C[C@H](F)CC[NH2+]C[C@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001266870921 1082418435 /nfs/dbraw/zinc/41/84/35/1082418435.db2.gz QJYQHUDFCAPFSN-LSDHHAIUSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H](CC[NH2+]C/C=C\Cl)NC(=O)C(C)(C)N1CCCCC1 ZINC001482833365 1082524105 /nfs/dbraw/zinc/52/41/05/1082524105.db2.gz LVXAECHDBYRNMB-IUCKJTJTSA-N 1 3 315.889 2.488 20 0 DEADHO Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)CN(C)C2CCC2)cc1 ZINC001482840754 1082526996 /nfs/dbraw/zinc/52/69/96/1082526996.db2.gz ZZLGZZZTOQEFGG-INIZCTEOSA-N 1 3 317.477 2.464 20 0 DEADHO CC1CCC(C[NH2+]C/C=C\CNC(=O)[C@H]2CCCN2C)CC1 ZINC001483043259 1082644561 /nfs/dbraw/zinc/64/45/61/1082644561.db2.gz HBOUOTYWNDTGGW-WKVDGTPLSA-N 1 3 307.482 2.169 20 0 DEADHO C[C@@H](NCCF)[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001409382483 1082858423 /nfs/dbraw/zinc/85/84/23/1082858423.db2.gz SFQIEMGSAMAWON-CHWSQXEVSA-N 1 3 301.450 2.092 20 0 DEADHO C[C@@H](NCCF)[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001409382483 1082858427 /nfs/dbraw/zinc/85/84/27/1082858427.db2.gz SFQIEMGSAMAWON-CHWSQXEVSA-N 1 3 301.450 2.092 20 0 DEADHO CC(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001409617967 1082989034 /nfs/dbraw/zinc/98/90/34/1082989034.db2.gz NOAHQLNSXSKUTP-WMLDXEAASA-N 1 3 315.477 2.291 20 0 DEADHO CC(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001409617967 1082989039 /nfs/dbraw/zinc/98/90/39/1082989039.db2.gz NOAHQLNSXSKUTP-WMLDXEAASA-N 1 3 315.477 2.291 20 0 DEADHO CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438548 1083395299 /nfs/dbraw/zinc/39/52/99/1083395299.db2.gz DVRBEBXVTSAVRH-ZIFCJYIRSA-N 1 3 321.509 2.488 20 0 DEADHO CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438548 1083395304 /nfs/dbraw/zinc/39/53/04/1083395304.db2.gz DVRBEBXVTSAVRH-ZIFCJYIRSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1ncsc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCN(C)C ZINC001276463219 1083452313 /nfs/dbraw/zinc/45/23/13/1083452313.db2.gz FNMUWJSKXPLUMN-GOOCMWNKSA-N 1 3 308.495 2.098 20 0 DEADHO Cc1ncsc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN(C)C ZINC001276463219 1083452320 /nfs/dbraw/zinc/45/23/20/1083452320.db2.gz FNMUWJSKXPLUMN-GOOCMWNKSA-N 1 3 308.495 2.098 20 0 DEADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(C)C)CC2 ZINC001107617727 1083523416 /nfs/dbraw/zinc/52/34/16/1083523416.db2.gz QHJZMBGNRAEUNW-SJLPKXTDSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(C)C)CC2 ZINC001107617727 1083523434 /nfs/dbraw/zinc/52/34/34/1083523434.db2.gz QHJZMBGNRAEUNW-SJLPKXTDSA-N 1 3 309.498 2.345 20 0 DEADHO CN(C)CC[N@@H+]1C[C@@H]2CCN(Cc3cc4ccccc4[nH]3)[C@@H]2C1 ZINC001276797754 1083616221 /nfs/dbraw/zinc/61/62/21/1083616221.db2.gz IXUHKCURYVSPNA-QFBILLFUSA-N 1 3 312.461 2.236 20 0 DEADHO CN(C)CC[N@H+]1C[C@@H]2CCN(Cc3cc4ccccc4[nH]3)[C@@H]2C1 ZINC001276797754 1083616228 /nfs/dbraw/zinc/61/62/28/1083616228.db2.gz IXUHKCURYVSPNA-QFBILLFUSA-N 1 3 312.461 2.236 20 0 DEADHO CC/C=C\CCN1CC2(C[C@@H]2C(=O)N(C)CC[NH+](CC)CC)C1 ZINC001277526814 1084018924 /nfs/dbraw/zinc/01/89/24/1084018924.db2.gz OFDDLNOPTBPBDX-XZVRFQMRSA-N 1 3 321.509 2.465 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[NH2+]CCC(F)(F)F)C1 ZINC001491190868 1084137598 /nfs/dbraw/zinc/13/75/98/1084137598.db2.gz OWSGYKOLUIQPRM-ZDUSSCGKSA-N 1 3 323.403 2.107 20 0 DEADHO CN(CC(=O)N1CCCC[C@@H]1C[NH2+]CCC1CC1)C1CCC1 ZINC001491251612 1084183263 /nfs/dbraw/zinc/18/32/63/1084183263.db2.gz WKZVNVSQDXFGBB-QGZVFWFLSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CCc1cccs1 ZINC001491546614 1084407590 /nfs/dbraw/zinc/40/75/90/1084407590.db2.gz GXIXSKQGOOJJGO-CQSZACIVSA-N 1 3 323.506 2.259 20 0 DEADHO COCCCN(Cc1ccc2c(c1)NCC2)C1CC[NH2+]CC1 ZINC001235939403 1084568952 /nfs/dbraw/zinc/56/89/52/1084568952.db2.gz BAGBVTNTAVHLRS-UHFFFAOYSA-N 1 3 303.450 2.245 20 0 DEADHO COCCC[N@H+](Cc1ccc2c(c1)NCC2)C1CCNCC1 ZINC001235939403 1084568959 /nfs/dbraw/zinc/56/89/59/1084568959.db2.gz BAGBVTNTAVHLRS-UHFFFAOYSA-N 1 3 303.450 2.245 20 0 DEADHO COCCC[N@@H+](Cc1ccc2c(c1)NCC2)C1CCNCC1 ZINC001235939403 1084568963 /nfs/dbraw/zinc/56/89/63/1084568963.db2.gz BAGBVTNTAVHLRS-UHFFFAOYSA-N 1 3 303.450 2.245 20 0 DEADHO CC(C)COc1ccc(CN2CCC[C@H](N3CC([NH3+])C3)C2)cc1 ZINC001236073576 1084605003 /nfs/dbraw/zinc/60/50/03/1084605003.db2.gz PBAZPQIGTMNODK-SFHVURJKSA-N 1 3 317.477 2.329 20 0 DEADHO CN(CCN1CC[NH2+]CC1)Cc1c[nH]c(-c2ccccc2F)c1 ZINC001236081868 1084608182 /nfs/dbraw/zinc/60/81/82/1084608182.db2.gz RQSHZSDMROWPAW-UHFFFAOYSA-N 1 3 316.424 2.158 20 0 DEADHO CC[NH2+][C@@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C12CCC2 ZINC001078819832 1084900300 /nfs/dbraw/zinc/90/03/00/1084900300.db2.gz RWQQMKYYWIURMA-SJORKVTESA-N 1 3 315.461 2.399 20 0 DEADHO C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)NCc1ccccc1F ZINC001485922691 1084986768 /nfs/dbraw/zinc/98/67/68/1084986768.db2.gz PPMZFWRSBPEBQR-HUUCEWRRSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)NCc1ccccc1F ZINC001485922691 1084986776 /nfs/dbraw/zinc/98/67/76/1084986776.db2.gz PPMZFWRSBPEBQR-HUUCEWRRSA-N 1 3 321.440 2.104 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CC(C)(C)C1 ZINC000960484628 1085309829 /nfs/dbraw/zinc/30/98/29/1085309829.db2.gz AHATXULBGOJQEH-IRXDYDNUSA-N 1 3 321.509 2.440 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC(C)(C)C1 ZINC000960484628 1085309845 /nfs/dbraw/zinc/30/98/45/1085309845.db2.gz AHATXULBGOJQEH-IRXDYDNUSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@H]1CCN(CC(=O)NC2CC3(C2)CC([NH2+]CCC2CC2)C3)C1 ZINC000965065733 1085512961 /nfs/dbraw/zinc/51/29/61/1085512961.db2.gz ZQIKQWJIIWFQFN-SZVPOOPASA-N 1 3 319.493 2.145 20 0 DEADHO CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC000965345629 1085593964 /nfs/dbraw/zinc/59/39/64/1085593964.db2.gz BTDMJYXPXIOZPX-LMBQMVEXSA-N 1 3 307.482 2.286 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961180344 1085627014 /nfs/dbraw/zinc/62/70/14/1085627014.db2.gz GOYKCWGVJLAFAJ-IAGOWNOFSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961180344 1085627020 /nfs/dbraw/zinc/62/70/20/1085627020.db2.gz GOYKCWGVJLAFAJ-IAGOWNOFSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1CC2(C1)CC([NH2+]CC1CC1)C2 ZINC000965933198 1085701427 /nfs/dbraw/zinc/70/14/27/1085701427.db2.gz SDNWTWJUQIHIGE-DGRBMMKXSA-N 1 3 319.493 2.286 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC1 ZINC001085196608 1086060540 /nfs/dbraw/zinc/06/05/40/1086060540.db2.gz HACSYHAERWDQQE-ZACQAIPSSA-N 1 3 307.482 2.286 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1CC(C[NH2+]CC2CCCCC2)C1 ZINC000962600767 1086181790 /nfs/dbraw/zinc/18/17/90/1086181790.db2.gz FLLCCIILRPUIMW-UHFFFAOYSA-N 1 3 318.465 2.325 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+]Cc1ccc(C)cc1C ZINC001128533457 1086188361 /nfs/dbraw/zinc/18/83/61/1086188361.db2.gz MVBSKDZEKRWYSE-KRWDZBQOSA-N 1 3 323.456 2.189 20 0 DEADHO CC(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(CN(C)C)c1 ZINC000962731329 1086212439 /nfs/dbraw/zinc/21/24/39/1086212439.db2.gz ULJCOKSSOSDDHX-PIIMJCKOSA-N 1 3 315.461 2.064 20 0 DEADHO CC(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(CN(C)C)c1 ZINC000962731329 1086212448 /nfs/dbraw/zinc/21/24/48/1086212448.db2.gz ULJCOKSSOSDDHX-PIIMJCKOSA-N 1 3 315.461 2.064 20 0 DEADHO CC/C=C\CCC[N@@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001273116801 1086253813 /nfs/dbraw/zinc/25/38/13/1086253813.db2.gz UDARYXIPXSIZNP-OOFWQKGWSA-N 1 3 307.482 2.219 20 0 DEADHO CC/C=C\CCC[N@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001273116801 1086253824 /nfs/dbraw/zinc/25/38/24/1086253824.db2.gz UDARYXIPXSIZNP-OOFWQKGWSA-N 1 3 307.482 2.219 20 0 DEADHO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000963357880 1086423909 /nfs/dbraw/zinc/42/39/09/1086423909.db2.gz BGCRYOVLXIAHKW-IRXDYDNUSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000963357880 1086423914 /nfs/dbraw/zinc/42/39/14/1086423914.db2.gz BGCRYOVLXIAHKW-IRXDYDNUSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C)CCN1CC[C@@]2(CCC[N@H+](CCC3CC3)CC2)C1=O ZINC001273164726 1087119370 /nfs/dbraw/zinc/11/93/70/1087119370.db2.gz ZEPPVEPMUVXJDE-SFHVURJKSA-N 1 3 307.482 2.053 20 0 DEADHO CN(C)CCN1CC[C@@]2(CCC[N@@H+](CCC3CC3)CC2)C1=O ZINC001273164726 1087119373 /nfs/dbraw/zinc/11/93/73/1087119373.db2.gz ZEPPVEPMUVXJDE-SFHVURJKSA-N 1 3 307.482 2.053 20 0 DEADHO CN(C)CCN1CCC2(CC[NH+](CCC3CCCC3)CC2)C1=O ZINC001273167470 1087140571 /nfs/dbraw/zinc/14/05/71/1087140571.db2.gz QDICHIIGCIKOIX-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CC(C)C[NH+]1CCC2(CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC000957612228 1088458684 /nfs/dbraw/zinc/45/86/84/1088458684.db2.gz KUBSCIUEEDMZLJ-UHFFFAOYSA-N 1 3 318.465 2.313 20 0 DEADHO CC(C)=CCN1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001080037898 1088591291 /nfs/dbraw/zinc/59/12/91/1088591291.db2.gz VLDAJLJUXTWGLP-HZPDHXFCSA-N 1 3 305.466 2.018 20 0 DEADHO CCC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)CN3CCC[C@H]3C)[C@@H]2C1 ZINC001114832226 1088929251 /nfs/dbraw/zinc/92/92/51/1088929251.db2.gz NMFOBGXWNOCARK-UHOZYBFCSA-N 1 3 319.493 2.264 20 0 DEADHO CCC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)CN3CCC[C@H]3C)[C@@H]2C1 ZINC001114832226 1088929264 /nfs/dbraw/zinc/92/92/64/1088929264.db2.gz NMFOBGXWNOCARK-UHOZYBFCSA-N 1 3 319.493 2.264 20 0 DEADHO C[C@H](C(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C)N1CCCCCC1 ZINC001080554310 1089059545 /nfs/dbraw/zinc/05/95/45/1089059545.db2.gz KSTIIWNSLUNPAN-JFIYKMOQSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](C(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C)N1CCCCCC1 ZINC001080554310 1089059557 /nfs/dbraw/zinc/05/95/57/1089059557.db2.gz KSTIIWNSLUNPAN-JFIYKMOQSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1ccsc1)N(C)C ZINC001276340634 1089100144 /nfs/dbraw/zinc/10/01/44/1089100144.db2.gz WZSFTGSFNDUMDA-OAHLLOKOSA-N 1 3 311.495 2.272 20 0 DEADHO CSc1ccccc1CN1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001276340789 1089100550 /nfs/dbraw/zinc/10/05/50/1089100550.db2.gz PAHAZDSCPGFIEM-UHFFFAOYSA-N 1 3 319.518 2.478 20 0 DEADHO CC[NH2+]C[C@@H]1c2ccccc2CCN1C(=O)[C@H](C1CC1)N(C)C ZINC000958791375 1089184916 /nfs/dbraw/zinc/18/49/16/1089184916.db2.gz QPQHMVDTOMVFJH-MSOLQXFVSA-N 1 3 315.461 2.062 20 0 DEADHO CC[NH2+]C[C@@H]1c2ccccc2CCN1C(=O)CN1CC[C@@H](C)C1 ZINC000958803422 1089192758 /nfs/dbraw/zinc/19/27/58/1089192758.db2.gz TVBJUIBQTZUMPS-CRAIPNDOSA-N 1 3 315.461 2.064 20 0 DEADHO C[N@H+](CCCN1CCC(Cc2ccccc2)CC1)CCC(N)=O ZINC001412986058 1089974932 /nfs/dbraw/zinc/97/49/32/1089974932.db2.gz ZNZKUJBLCKYEAJ-UHFFFAOYSA-N 1 3 317.477 2.138 20 0 DEADHO C[N@@H+](CCCN1CCC(Cc2ccccc2)CC1)CCC(N)=O ZINC001412986058 1089974947 /nfs/dbraw/zinc/97/49/47/1089974947.db2.gz ZNZKUJBLCKYEAJ-UHFFFAOYSA-N 1 3 317.477 2.138 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccccc2)C1)N(C)C ZINC001082589092 1090012390 /nfs/dbraw/zinc/01/23/90/1090012390.db2.gz HYKOLBFGQKGWKP-KBAYOESNSA-N 1 3 317.477 2.006 20 0 DEADHO CC(C)[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001082743135 1090067470 /nfs/dbraw/zinc/06/74/70/1090067470.db2.gz JYWRTQXZKQOECK-CKEIUWERSA-N 1 3 313.461 2.044 20 0 DEADHO CC(C)(C(=O)N1C[C@H]2CC[N@H+](CC3CCC3)C[C@H]21)N1CCCC1 ZINC001084571881 1090330178 /nfs/dbraw/zinc/33/01/78/1090330178.db2.gz JYMSEUXHHOYPRD-IAGOWNOFSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)(C(=O)N1C[C@H]2CC[N@@H+](CC3CCC3)C[C@H]21)N1CCCC1 ZINC001084571881 1090330185 /nfs/dbraw/zinc/33/01/85/1090330185.db2.gz JYMSEUXHHOYPRD-IAGOWNOFSA-N 1 3 319.493 2.194 20 0 DEADHO Cc1nn(CCO)c(C)c1CN(C)CCCC[NH+]1CCCCC1 ZINC001119449923 1090342285 /nfs/dbraw/zinc/34/22/85/1090342285.db2.gz AUIFNTZAJRVUBS-UHFFFAOYSA-N 1 3 322.497 2.190 20 0 DEADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001410486278 1091012720 /nfs/dbraw/zinc/01/27/20/1091012720.db2.gz HYVIFTMMXYTMMP-PBHICJAKSA-N 1 3 323.456 2.433 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001274299617 1091178045 /nfs/dbraw/zinc/17/80/45/1091178045.db2.gz VJQRGITWDHOUDX-DOTOQJQBSA-N 1 3 307.482 2.264 20 0 DEADHO C[NH+](C)CCC(=O)N[C@@]12CCC[C@H]1N(Cc1ccsc1)CC2 ZINC001410896208 1091199911 /nfs/dbraw/zinc/19/99/11/1091199911.db2.gz KDHRKPGYIYKYAU-NVXWUHKLSA-N 1 3 321.490 2.313 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]C/C=C/c1ccccc1)N(C)C ZINC001274913677 1091473222 /nfs/dbraw/zinc/47/32/22/1091473222.db2.gz RWYSXYLAEGUQKG-ULVFTUSLSA-N 1 3 317.477 2.380 20 0 DEADHO CN(C)C1(C(=O)N(C)CCC[NH2+]CCc2ccccc2)CCC1 ZINC001276048703 1091486029 /nfs/dbraw/zinc/48/60/29/1091486029.db2.gz VZEACAJGRCCPSG-UHFFFAOYSA-N 1 3 317.477 2.152 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]C/C=C\Cl)C1 ZINC001275030836 1091520289 /nfs/dbraw/zinc/52/02/89/1091520289.db2.gz ADTRUGRHCSDVQG-JBLNNTITSA-N 1 3 313.873 2.051 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)[C@H]2CCC[N@H+](CC3CCC3)CC2)C1 ZINC000948767210 1091925764 /nfs/dbraw/zinc/92/57/64/1091925764.db2.gz SHUULAZCRDPAQV-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)[C@H]2CCC[N@@H+](CC3CCC3)CC2)C1 ZINC000948767210 1091925770 /nfs/dbraw/zinc/92/57/70/1091925770.db2.gz SHUULAZCRDPAQV-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCCCN1C ZINC000948932404 1092004480 /nfs/dbraw/zinc/00/44/80/1092004480.db2.gz IZCAVBNVHGDVGO-QZTJIDSGSA-N 1 3 315.461 2.206 20 0 DEADHO CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCCCN1C ZINC000948932404 1092004490 /nfs/dbraw/zinc/00/44/90/1092004490.db2.gz IZCAVBNVHGDVGO-QZTJIDSGSA-N 1 3 315.461 2.206 20 0 DEADHO CCOc1ccc(CN2CC3(C2)CCN(CC[NH+](C)C)C3)cc1 ZINC001275839882 1092205918 /nfs/dbraw/zinc/20/59/18/1092205918.db2.gz FZDTZWYMCPVYAX-UHFFFAOYSA-N 1 3 317.477 2.155 20 0 DEADHO C[NH+](C)CCN1CCC2(CN(Cc3cncc4ccccc43)C2)C1 ZINC001275847676 1092225124 /nfs/dbraw/zinc/22/51/24/1092225124.db2.gz XDWSYLRJIWJOQS-UHFFFAOYSA-N 1 3 324.472 2.304 20 0 DEADHO C[C@H](CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC001412043701 1092502499 /nfs/dbraw/zinc/50/24/99/1092502499.db2.gz LSYANGUJUCMNCP-VYDXJSESSA-N 1 3 305.466 2.382 20 0 DEADHO CC(C)=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1c[nH]cn1 ZINC001489049887 1092890249 /nfs/dbraw/zinc/89/02/49/1092890249.db2.gz GHKNENUOHGRXRI-ZBFHGGJFSA-N 1 3 304.438 2.135 20 0 DEADHO CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001490809703 1093614935 /nfs/dbraw/zinc/61/49/35/1093614935.db2.gz UHSCYEFYBIXMNG-CALCHBBNSA-N 1 3 307.482 2.338 20 0 DEADHO CC(=O)OC[C@H]1CCC2(C1)CCN(C[C@@H]1C[NH2+]C(C)(C)O1)CC2 ZINC001236322889 1138352194 /nfs/dbraw/zinc/35/21/94/1138352194.db2.gz VNDAKIHPWYVKEJ-HOTGVXAUSA-N 1 3 324.465 2.156 20 0 DEADHO C[C@H]1CNCC(F)(F)[C@H]1CN1CC[NH2+][C@H](c2ccccc2)C1 ZINC001236428528 1138361337 /nfs/dbraw/zinc/36/13/37/1138361337.db2.gz MBJSNRVWSHAKOS-BPUTZDHNSA-N 1 3 309.404 2.124 20 0 DEADHO CCC[NH2+]C[C@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001278006088 1138409762 /nfs/dbraw/zinc/40/97/62/1138409762.db2.gz PVCIIRRKKWHKPX-QGZVFWFLSA-N 1 3 303.450 2.352 20 0 DEADHO [NH3+]CCCCN1CCN(c2ccc(-c3ncccn3)cc2)CC1 ZINC001237000078 1138478476 /nfs/dbraw/zinc/47/84/76/1138478476.db2.gz PJULMORCSXDNHP-UHFFFAOYSA-N 1 3 311.433 2.005 20 0 DEADHO CCOC(=O)[C@@H]1CN(Cc2ccc(C)cc2F)CCC12C[NH2+]C2 ZINC001237429722 1138619769 /nfs/dbraw/zinc/61/97/69/1138619769.db2.gz ISKNMNNCPDFGJA-HNNXBMFYSA-N 1 3 320.408 2.109 20 0 DEADHO c1c[nH]c(CN2C[C@@H]3CCN(CC[NH+]4CCCCC4)[C@@H]3C2)c1 ZINC001278152826 1138802671 /nfs/dbraw/zinc/80/26/71/1138802671.db2.gz ALDCAAJKAMQBJF-FUHWJXTLSA-N 1 3 302.466 2.007 20 0 DEADHO Cn1ccc2c1cc[nH+]c2-c1ccnc(N2CCN(C)CC2)c1 ZINC001238818324 1138878735 /nfs/dbraw/zinc/87/87/35/1138878735.db2.gz ZGAXNFILMSWXGW-UHFFFAOYSA-N 1 3 307.401 2.387 20 0 DEADHO CCc1ccccc1NC(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239218416 1138992272 /nfs/dbraw/zinc/99/22/72/1138992272.db2.gz ZNOJTVODKQOEJL-OAHLLOKOSA-N 1 3 316.449 2.245 20 0 DEADHO C[C@@H](NC(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC001239308222 1139017836 /nfs/dbraw/zinc/01/78/36/1139017836.db2.gz UBVAXNFKORHFBD-WBVHZDCISA-N 1 3 324.513 2.280 20 0 DEADHO CCc1cccc(C)c1NC(=S)NCCC[NH2+]CCCN ZINC001239396988 1139034520 /nfs/dbraw/zinc/03/45/20/1139034520.db2.gz SPRASRQLQRHBFN-UHFFFAOYSA-N 1 3 308.495 2.172 20 0 DEADHO CN1CCN(Cc2cccc(-c3[nH+]ccc4c3CCN4)c2)CC1 ZINC001240284133 1139317640 /nfs/dbraw/zinc/31/76/40/1139317640.db2.gz VCOMAGGNDGFPSK-UHFFFAOYSA-N 1 3 308.429 2.464 20 0 DEADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccccc1 ZINC001491579774 1140172188 /nfs/dbraw/zinc/17/21/88/1140172188.db2.gz NQEPRWHVKOLWJE-OAHLLOKOSA-N 1 3 305.466 2.259 20 0 DEADHO C[C@H](F)CC[NH2+]CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001318873660 1140448463 /nfs/dbraw/zinc/44/84/63/1140448463.db2.gz BESLXDYJOKCJSH-GOEBONIOSA-N 1 3 313.461 2.047 20 0 DEADHO CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001319534541 1140611387 /nfs/dbraw/zinc/61/13/87/1140611387.db2.gz QAAHAPPXMISEBM-RHSMWYFYSA-N 1 3 315.477 2.436 20 0 DEADHO O[C@]1(CN2CCC(Cc3ccc(F)cc3F)CC2)CCC[NH2+]C1 ZINC001246049966 1140853402 /nfs/dbraw/zinc/85/34/02/1140853402.db2.gz UGUBCDWGVJTCKN-GOSISDBHSA-N 1 3 324.415 2.334 20 0 DEADHO O[C@]1(C[NH+]2CCC(Cc3ccc(F)cc3F)CC2)CCCNC1 ZINC001246049966 1140853404 /nfs/dbraw/zinc/85/34/04/1140853404.db2.gz UGUBCDWGVJTCKN-GOSISDBHSA-N 1 3 324.415 2.334 20 0 DEADHO O[C@@]1(C[NH2+][C@H]2CCC[C@H](c3ccccc3)C2)CCNC[C@@H]1F ZINC001246082383 1140858472 /nfs/dbraw/zinc/85/84/72/1140858472.db2.gz LSGJQFZIURIASY-XLAORIBOSA-N 1 3 306.425 2.365 20 0 DEADHO O[C@@]1(CN[C@@H]2CCc3c(Cl)cccc3C2)CCCC[NH2+]C1 ZINC001246094908 1140860355 /nfs/dbraw/zinc/86/03/55/1140860355.db2.gz GWLRUVFLCSJNHU-PBHICJAKSA-N 1 3 308.853 2.292 20 0 DEADHO O[C@@]1(C[NH2+][C@@H]2CCc3c(Cl)cccc3C2)CCCCNC1 ZINC001246094908 1140860359 /nfs/dbraw/zinc/86/03/59/1140860359.db2.gz GWLRUVFLCSJNHU-PBHICJAKSA-N 1 3 308.853 2.292 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CCC2CCN(C(=O)C(C)(C)C)CC2)CCN1 ZINC001246258614 1140879040 /nfs/dbraw/zinc/87/90/40/1140879040.db2.gz XRVYPGQKYFPIKV-GOEBONIOSA-N 1 3 309.498 2.391 20 0 DEADHO COc1cccc(CN2CCC([NH2+][C@H]3CC[C@H](C)NC3)CC2)c1 ZINC001246348331 1140886297 /nfs/dbraw/zinc/88/62/97/1140886297.db2.gz FJFFBVUIKPKGBM-YJBOKZPZSA-N 1 3 317.477 2.390 20 0 DEADHO COc1ccc(F)c(CN2CCC(N[C@H]3CCC[NH2+]C3)CC2)c1 ZINC001246361981 1140888179 /nfs/dbraw/zinc/88/81/79/1140888179.db2.gz ZICDPZFUQDOJCU-INIZCTEOSA-N 1 3 321.440 2.140 20 0 DEADHO Cc1cc(F)cc(CN2CCC([NH2+][C@@H]3CCCNC3)CC2)c1 ZINC001246361525 1140888399 /nfs/dbraw/zinc/88/83/99/1140888399.db2.gz YEARUTUDIGRXEP-GOSISDBHSA-N 1 3 305.441 2.440 20 0 DEADHO Brc1cccc2c1C[C@H]([NH2+][C@H]1CC13CNC3)CC2 ZINC001246447886 1140899878 /nfs/dbraw/zinc/89/98/78/1140899878.db2.gz XJSXQFNLLYHEKH-RISCZKNCSA-N 1 3 307.235 2.258 20 0 DEADHO C[C@]1(N)CC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)C1 ZINC001246532688 1140939223 /nfs/dbraw/zinc/93/92/23/1140939223.db2.gz XXBSYKQTHGTZQO-RZRMAFQFSA-N 1 3 313.445 2.245 20 0 DEADHO C[C@]1(N)CC[N@H+](C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)C1 ZINC001246532688 1140939235 /nfs/dbraw/zinc/93/92/35/1140939235.db2.gz XXBSYKQTHGTZQO-RZRMAFQFSA-N 1 3 313.445 2.245 20 0 DEADHO Cc1cccc2c1CC[C@H](N1CC[NH2+]C[C@@]3(CCCCN3)C1)C2 ZINC001246637561 1141017957 /nfs/dbraw/zinc/01/79/57/1141017957.db2.gz YNBRSJLAIIXRTD-ICSRJNTNSA-N 1 3 313.489 2.270 20 0 DEADHO CC(C)CC[C@@H](C)N1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001246670802 1141030731 /nfs/dbraw/zinc/03/07/31/1141030731.db2.gz XUEZVIFCEMRTHX-MRXNPFEDSA-N 1 3 322.497 2.285 20 0 DEADHO O=C1C[C@@]2(CCN(C3CC[NH2+]CC3)C2)CN1c1cccc(F)c1 ZINC001246753222 1141052475 /nfs/dbraw/zinc/05/24/75/1141052475.db2.gz CEPCZVKLPCNIBD-GOSISDBHSA-N 1 3 317.408 2.007 20 0 DEADHO O=C1C[C@@]2(CC[N@@H+](C3CCNCC3)C2)CN1c1cccc(F)c1 ZINC001246753222 1141052484 /nfs/dbraw/zinc/05/24/84/1141052484.db2.gz CEPCZVKLPCNIBD-GOSISDBHSA-N 1 3 317.408 2.007 20 0 DEADHO O=C1C[C@@]2(CC[N@H+](C3CCNCC3)C2)CN1c1cccc(F)c1 ZINC001246753222 1141052494 /nfs/dbraw/zinc/05/24/94/1141052494.db2.gz CEPCZVKLPCNIBD-GOSISDBHSA-N 1 3 317.408 2.007 20 0 DEADHO F[C@@H]1CNCC[C@H]1N(Cc1ccccc1)[C@@H]1CCCC[NH2+]C1 ZINC001246845380 1141084929 /nfs/dbraw/zinc/08/49/29/1141084929.db2.gz LMKOMDFIHARHNC-KZNAEPCWSA-N 1 3 305.441 2.331 20 0 DEADHO CC[C@@H]1CO[C@@](C)(CCC(C)C)N1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246845721 1141085703 /nfs/dbraw/zinc/08/57/03/1141085703.db2.gz NGALVRQMKSJSHL-IKGGRYGDSA-N 1 3 309.498 2.344 20 0 DEADHO CCC[C@@H](COC)N(CCC(=O)OCC)[C@H](C)CC[NH2+]C ZINC001246889425 1141102701 /nfs/dbraw/zinc/10/27/01/1141102701.db2.gz DRNHOUIFRDNEQZ-CABCVRRESA-N 1 3 302.459 2.055 20 0 DEADHO CCC[C@H](COC)[N@H+](CCC(=O)OCC)[C@@H]1CCN[C@H](C)C1 ZINC001246893253 1141104253 /nfs/dbraw/zinc/10/42/53/1141104253.db2.gz VIIYTHGVMXMFND-BZUAXINKSA-N 1 3 314.470 2.197 20 0 DEADHO CCC[C@H](COC)[N@@H+](CCC(=O)OCC)[C@@H]1CCN[C@H](C)C1 ZINC001246893253 1141104281 /nfs/dbraw/zinc/10/42/81/1141104281.db2.gz VIIYTHGVMXMFND-BZUAXINKSA-N 1 3 314.470 2.197 20 0 DEADHO CCC[C@H](COC)N(CCC(=O)OCC)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246893253 1141104292 /nfs/dbraw/zinc/10/42/92/1141104292.db2.gz VIIYTHGVMXMFND-BZUAXINKSA-N 1 3 314.470 2.197 20 0 DEADHO C[C@@H]1C[C@H](N2CC[C@@]3(c4ccccc4OC3=O)C2(C)C)CC[NH2+]1 ZINC001246925818 1141125152 /nfs/dbraw/zinc/12/51/52/1141125152.db2.gz PSNBOWIVWGRKQQ-LPMFXHHGSA-N 1 3 314.429 2.468 20 0 DEADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@]3(c4ccccc4OC3=O)C2(C)C)CCN1 ZINC001246925818 1141125191 /nfs/dbraw/zinc/12/51/91/1141125191.db2.gz PSNBOWIVWGRKQQ-LPMFXHHGSA-N 1 3 314.429 2.468 20 0 DEADHO C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(c4ccccc4OC3=O)C2(C)C)CCN1 ZINC001246925818 1141125223 /nfs/dbraw/zinc/12/52/23/1141125223.db2.gz PSNBOWIVWGRKQQ-LPMFXHHGSA-N 1 3 314.429 2.468 20 0 DEADHO Cc1cc(C[NH2+]CCCN(C)C(=O)CN2CC[C@H](C)C2)cs1 ZINC001322695160 1141686448 /nfs/dbraw/zinc/68/64/48/1141686448.db2.gz XIZSKASQEPNPKM-AWEZNQCLSA-N 1 3 323.506 2.336 20 0 DEADHO CC(C)c1ccc(OC[C@@H](O)C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC001250759805 1142307546 /nfs/dbraw/zinc/30/75/46/1142307546.db2.gz XPJZVPQSDRYAJE-KSZLIROESA-N 1 3 318.461 2.043 20 0 DEADHO CC(C)c1ccc(OC[C@@H](O)C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC001250759805 1142307553 /nfs/dbraw/zinc/30/75/53/1142307553.db2.gz XPJZVPQSDRYAJE-KSZLIROESA-N 1 3 318.461 2.043 20 0 DEADHO C[C@H](O)C[NH+]1CCC2(C[C@@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001251961066 1142564554 /nfs/dbraw/zinc/56/45/54/1142564554.db2.gz XYHYGOCIYHCUHC-FUHWJXTLSA-N 1 3 318.461 2.123 20 0 DEADHO CCCN(CCC[NH+](C)C)C[C@H](O)COCc1ccccc1 ZINC001252287132 1142673440 /nfs/dbraw/zinc/67/34/40/1142673440.db2.gz FZGQXQNPOHJRFY-SFHVURJKSA-N 1 3 308.466 2.228 20 0 DEADHO CCN(CC)C[C@@H](O)C[NH2+][C@@H](C)COc1c(C)cccc1C ZINC001253208144 1142853842 /nfs/dbraw/zinc/85/38/42/1142853842.db2.gz NLSCOLRJUBJGBZ-IRXDYDNUSA-N 1 3 308.466 2.363 20 0 DEADHO CC[NH+](CC)C[C@@H](O)CNCC1(Cc2ccc(F)cc2)CC1 ZINC001253214306 1142855608 /nfs/dbraw/zinc/85/56/08/1142855608.db2.gz ZJABWYGWPKMZLH-KRWDZBQOSA-N 1 3 308.441 2.441 20 0 DEADHO CCC[NH+]1CCC(NC[C@H](O)CCOCc2ccccc2)CC1 ZINC001253292853 1142861814 /nfs/dbraw/zinc/86/18/14/1142861814.db2.gz YSWGVIDUCNPGHC-LJQANCHMSA-N 1 3 320.477 2.418 20 0 DEADHO CC(C)N1CCOC[C@@]2(CCC[N@@H+]([C@H]3CCCN(C)CC3)C2)C1 ZINC001254519698 1143179527 /nfs/dbraw/zinc/17/95/27/1143179527.db2.gz JYPPUQPXCIBISM-OALUTQOASA-N 1 3 323.525 2.294 20 0 DEADHO CC(C)N1CCOC[C@@]2(CCC[N@H+]([C@H]3CCCN(C)CC3)C2)C1 ZINC001254519698 1143179546 /nfs/dbraw/zinc/17/95/46/1143179546.db2.gz JYPPUQPXCIBISM-OALUTQOASA-N 1 3 323.525 2.294 20 0 DEADHO FC(F)(F)c1nn([C@H]2CC3CC[NH+](CC3)C2)c2c1CCNC2 ZINC001254865056 1143346701 /nfs/dbraw/zinc/34/67/01/1143346701.db2.gz WEWHTDOKMAQNHK-NSHDSACASA-N 1 3 314.355 2.204 20 0 DEADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1C[C@H]3CCN(C)C[C@H]3C1)C2 ZINC001255205599 1143497291 /nfs/dbraw/zinc/49/72/91/1143497291.db2.gz SARKPMVPPSXCOE-ALYAQQCSSA-N 1 3 321.465 2.022 20 0 DEADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1C[C@H]3CCN(C)C[C@H]3C1)C2 ZINC001255205599 1143497318 /nfs/dbraw/zinc/49/73/18/1143497318.db2.gz SARKPMVPPSXCOE-ALYAQQCSSA-N 1 3 321.465 2.022 20 0 DEADHO CN1CC[C@]2(CC[N@@H+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001255606516 1143779612 /nfs/dbraw/zinc/77/96/12/1143779612.db2.gz CRAVYSCMPPNKTD-YOEHRIQHSA-N 1 3 309.454 2.023 20 0 DEADHO CN1CC[C@]2(CC[N@H+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001255606516 1143779620 /nfs/dbraw/zinc/77/96/20/1143779620.db2.gz CRAVYSCMPPNKTD-YOEHRIQHSA-N 1 3 309.454 2.023 20 0 DEADHO CCN(C(=O)C[C@@H](N)c1cc(C)nc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC001342173828 1143800862 /nfs/dbraw/zinc/80/08/62/1143800862.db2.gz NQOTZGZHOLOYFU-ZIAGYGMSSA-N 1 3 324.856 2.034 20 0 DEADHO C[C@H](CSc1ccc(F)cc1)NCCC[N@H+](C)CCO ZINC001255739992 1143804749 /nfs/dbraw/zinc/80/47/49/1143804749.db2.gz MJLSEASKYXJHRL-CYBMUJFWSA-N 1 3 300.443 2.210 20 0 DEADHO C[C@H](CSc1ccc(F)cc1)NCCC[N@@H+](C)CCO ZINC001255739992 1143804750 /nfs/dbraw/zinc/80/47/50/1143804750.db2.gz MJLSEASKYXJHRL-CYBMUJFWSA-N 1 3 300.443 2.210 20 0 DEADHO C[N@@H+]1CC[C@@]2(CCN(C3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC001256297228 1143840938 /nfs/dbraw/zinc/84/09/38/1143840938.db2.gz YHAJPWYZGTZLHV-GOSISDBHSA-N 1 3 323.481 2.414 20 0 DEADHO C[N@H+]1CC[C@@]2(CCN(C3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC001256297228 1143840939 /nfs/dbraw/zinc/84/09/39/1143840939.db2.gz YHAJPWYZGTZLHV-GOSISDBHSA-N 1 3 323.481 2.414 20 0 DEADHO CC(C)CC[C@@H](C)N1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001256374348 1143845314 /nfs/dbraw/zinc/84/53/14/1143845314.db2.gz ZJEPJUDQKDVXNG-OAHLLOKOSA-N 1 3 309.498 2.473 20 0 DEADHO C[C@H](Cc1ccccn1)N[C@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001256403425 1143846923 /nfs/dbraw/zinc/84/69/23/1143846923.db2.gz YSWRKDMPYANSPQ-HIFRSBDPSA-N 1 3 322.453 2.192 20 0 DEADHO CC(C)(C)N1CCC([NH2+]CCOc2ccc(C(N)=O)cc2)CC1 ZINC001256564070 1143854418 /nfs/dbraw/zinc/85/44/18/1143854418.db2.gz QIHHCDDEYCOGEQ-UHFFFAOYSA-N 1 3 319.449 2.017 20 0 DEADHO CCN(CC)[C@H]1CC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC001256593595 1143856150 /nfs/dbraw/zinc/85/61/50/1143856150.db2.gz WMCPBNFYIDYYKL-IBGZPJMESA-N 1 3 316.493 2.462 20 0 DEADHO CCN(CC)[C@H]1CC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC001256593595 1143856151 /nfs/dbraw/zinc/85/61/51/1143856151.db2.gz WMCPBNFYIDYYKL-IBGZPJMESA-N 1 3 316.493 2.462 20 0 DEADHO CC[NH+](CC)[C@H]1CCN(C2CCN(Cc3ccncc3)CC2)C1 ZINC001256593595 1143856153 /nfs/dbraw/zinc/85/61/53/1143856153.db2.gz WMCPBNFYIDYYKL-IBGZPJMESA-N 1 3 316.493 2.462 20 0 DEADHO C[C@@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)N3C)CC[C@]1(O)C(F)(F)F ZINC001256622264 1143858244 /nfs/dbraw/zinc/85/82/44/1143858244.db2.gz GIFAJZASRIZLRR-SYCZCVCYSA-N 1 3 306.372 2.247 20 0 DEADHO C[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)N3C)CC[C@]1(O)C(F)(F)F ZINC001256622264 1143858245 /nfs/dbraw/zinc/85/82/45/1143858245.db2.gz GIFAJZASRIZLRR-SYCZCVCYSA-N 1 3 306.372 2.247 20 0 DEADHO CCc1nc(C2CC[NH+](C3C[C@H]4CC[C@@H](C3)N4C)CC2)no1 ZINC001256628524 1143858819 /nfs/dbraw/zinc/85/88/19/1143858819.db2.gz IHPZWHJBYQHPLF-YIONKMFJSA-N 1 3 304.438 2.437 20 0 DEADHO Clc1cnccc1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256683429 1143862037 /nfs/dbraw/zinc/86/20/37/1143862037.db2.gz BHRCSWAFFMVGTP-UHFFFAOYSA-N 1 3 309.841 2.468 20 0 DEADHO c1cc2cccc(C[NH2+]C3CCC(N4CCOCC4)CC3)n2n1 ZINC001256686612 1143862475 /nfs/dbraw/zinc/86/24/75/1143862475.db2.gz QYIDWLNDBOXQLU-UHFFFAOYSA-N 1 3 314.433 2.067 20 0 DEADHO COC(=O)c1ccc(CN)n1[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256904986 1143874448 /nfs/dbraw/zinc/87/44/48/1143874448.db2.gz LWECISRKGKFHHQ-OAHLLOKOSA-N 1 3 305.422 2.313 20 0 DEADHO COC(=O)c1ccc(CN)n1[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256904986 1143874450 /nfs/dbraw/zinc/87/44/50/1143874450.db2.gz LWECISRKGKFHHQ-OAHLLOKOSA-N 1 3 305.422 2.313 20 0 DEADHO CCO[C@@H]1C[C@H]2CN([C@@H]3CCC[N@@H+](C4CCCC4)C3)CCN2C1 ZINC001256918511 1143875174 /nfs/dbraw/zinc/87/51/74/1143875174.db2.gz MNCIIYCPEWWLRI-CEXWTWQISA-N 1 3 321.509 2.188 20 0 DEADHO CCO[C@@H]1C[C@H]2CN([C@@H]3CCC[N@H+](C4CCCC4)C3)CCN2C1 ZINC001256918511 1143875175 /nfs/dbraw/zinc/87/51/75/1143875175.db2.gz MNCIIYCPEWWLRI-CEXWTWQISA-N 1 3 321.509 2.188 20 0 DEADHO COC(=O)CC1CCC([NH+]2CCN(c3ccncc3)CC2)CC1 ZINC001256981763 1143878291 /nfs/dbraw/zinc/87/82/91/1143878291.db2.gz MWIJXPKMYGQZIW-UHFFFAOYSA-N 1 3 317.433 2.326 20 0 DEADHO CCCN1C[C@@H]2C[N@H+](C3CCC(CC(=O)OC)CC3)C[C@@H]2C1 ZINC001256990349 1143879005 /nfs/dbraw/zinc/87/90/05/1143879005.db2.gz DZVMADKICLREPD-HPZPOOBXSA-N 1 3 308.466 2.382 20 0 DEADHO CCCN1C[C@@H]2C[N@@H+](C3CCC(CC(=O)OC)CC3)C[C@@H]2C1 ZINC001256990349 1143879006 /nfs/dbraw/zinc/87/90/06/1143879006.db2.gz DZVMADKICLREPD-HPZPOOBXSA-N 1 3 308.466 2.382 20 0 DEADHO CCC(CC)C(=O)N1CC[C@@H](NC2CC[NH+](C(C)C)CC2)C1 ZINC001257211823 1143893471 /nfs/dbraw/zinc/89/34/71/1143893471.db2.gz NVZOQCHVCCCTJW-QGZVFWFLSA-N 1 3 309.498 2.486 20 0 DEADHO CCC[C@@H](CC)[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001257261458 1143895788 /nfs/dbraw/zinc/89/57/88/1143895788.db2.gz YTHFKEGEUKWOFU-QGZVFWFLSA-N 1 3 319.493 2.389 20 0 DEADHO CCC[C@@H](CC)[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001257261458 1143895789 /nfs/dbraw/zinc/89/57/89/1143895789.db2.gz YTHFKEGEUKWOFU-QGZVFWFLSA-N 1 3 319.493 2.389 20 0 DEADHO C[C@H](Cc1ccco1)N[C@@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001258177816 1143980914 /nfs/dbraw/zinc/98/09/14/1143980914.db2.gz FGZNKGIYEOOHIL-TZMCWYRMSA-N 1 3 311.426 2.390 20 0 DEADHO CN(C[C@H]1CCN1CC1=CCCCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001263817170 1144399672 /nfs/dbraw/zinc/39/96/72/1144399672.db2.gz PHLHMJSORQAWBG-QZTJIDSGSA-N 1 3 319.493 2.361 20 0 DEADHO CN(C[C@H]1CCN1CC1=CCCCC1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001263817170 1144399675 /nfs/dbraw/zinc/39/96/75/1144399675.db2.gz PHLHMJSORQAWBG-QZTJIDSGSA-N 1 3 319.493 2.361 20 0 DEADHO C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1CC[NH2+]CCC1CC1 ZINC001263955512 1144431638 /nfs/dbraw/zinc/43/16/38/1144431638.db2.gz MDZILEFKCMTBFJ-WMLDXEAASA-N 1 3 318.465 2.359 20 0 DEADHO Cc1ccc(C[N@@H+](C)CCCNC(=O)[C@@H]2CCCN2C)cc1F ZINC001264971527 1144615355 /nfs/dbraw/zinc/61/53/55/1144615355.db2.gz VSJHKGYUOYMVFG-KRWDZBQOSA-N 1 3 321.440 2.166 20 0 DEADHO Cc1ccc(C[N@H+](C)CCCNC(=O)[C@@H]2CCCN2C)cc1F ZINC001264971527 1144615356 /nfs/dbraw/zinc/61/53/56/1144615356.db2.gz VSJHKGYUOYMVFG-KRWDZBQOSA-N 1 3 321.440 2.166 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1)N(C)C ZINC001265545424 1144710618 /nfs/dbraw/zinc/71/06/18/1144710618.db2.gz ZHLRWYADCUXTFE-BBWFWOEESA-N 1 3 307.482 2.310 20 0 DEADHO CC(C)[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]C/C=C/Cl)N(C)C ZINC001265682325 1144727029 /nfs/dbraw/zinc/72/70/29/1144727029.db2.gz PRGWSIJUTOCFRX-VIGJRRFGSA-N 1 3 315.889 2.296 20 0 DEADHO CCC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)N(C)C ZINC001265718246 1144733888 /nfs/dbraw/zinc/73/38/88/1144733888.db2.gz CBGLLIQQWJYQPZ-GTUIKHEBSA-N 1 3 321.509 2.365 20 0 DEADHO CCC/C=C\CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)N(C)C ZINC001265718246 1144733891 /nfs/dbraw/zinc/73/38/91/1144733891.db2.gz CBGLLIQQWJYQPZ-GTUIKHEBSA-N 1 3 321.509 2.365 20 0 DEADHO CC[C@H](C(=O)NCCC[N@H+](C)Cc1ccc(F)cc1C)N(C)C ZINC001265872246 1144749875 /nfs/dbraw/zinc/74/98/75/1144749875.db2.gz SLUKYZDUXJHFLJ-QGZVFWFLSA-N 1 3 323.456 2.412 20 0 DEADHO CC[C@H](C(=O)NCCC[N@@H+](C)Cc1ccc(F)cc1C)N(C)C ZINC001265872246 1144749877 /nfs/dbraw/zinc/74/98/77/1144749877.db2.gz SLUKYZDUXJHFLJ-QGZVFWFLSA-N 1 3 323.456 2.412 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+]C/C=C\Cl ZINC001280458102 1144840912 /nfs/dbraw/zinc/84/09/12/1144840912.db2.gz NTIBURNWVZLGRY-IQCBXXCUSA-N 1 3 301.862 2.051 20 0 DEADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)CC1=CCCCC1 ZINC001282398278 1145060958 /nfs/dbraw/zinc/06/09/58/1145060958.db2.gz LMULFILTOOHKAR-HNNXBMFYSA-N 1 3 307.482 2.408 20 0 DEADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)CC1=CCCCC1 ZINC001282398278 1145060965 /nfs/dbraw/zinc/06/09/65/1145060965.db2.gz LMULFILTOOHKAR-HNNXBMFYSA-N 1 3 307.482 2.408 20 0 DEADHO C[C@@H](CN1CCOCC1)CN1CCC(C)([NH+]2CCCCC2)CC1 ZINC001364508201 1145305276 /nfs/dbraw/zinc/30/52/76/1145305276.db2.gz YEJBFEGFAJZZND-GOSISDBHSA-N 1 3 323.525 2.295 20 0 DEADHO CCn1cnc(Cl)c1CNCC1(SC)CC[NH+](C)CC1 ZINC001364606519 1145373913 /nfs/dbraw/zinc/37/39/13/1145373913.db2.gz FFIYDGUGAVEXMD-UHFFFAOYSA-N 1 3 316.902 2.473 20 0 DEADHO CC[N@H+](C)[C@H]1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC001365304005 1145842681 /nfs/dbraw/zinc/84/26/81/1145842681.db2.gz JKEKTFUAIVIVET-DLBZAZTESA-N 1 3 318.465 2.025 20 0 DEADHO CC[N@@H+](C)[C@H]1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC001365304005 1145842683 /nfs/dbraw/zinc/84/26/83/1145842683.db2.gz JKEKTFUAIVIVET-DLBZAZTESA-N 1 3 318.465 2.025 20 0 DEADHO CC[C@H](C(=O)N[C@H](C[NH2+]C/C=C\Cl)C(C)(C)C)N(C)C ZINC001284604131 1145878045 /nfs/dbraw/zinc/87/80/45/1145878045.db2.gz NTXUCFADWNOTMP-WACGGTQYSA-N 1 3 303.878 2.200 20 0 DEADHO CC(C)=CCN1CC=C(CNC(=O)CCCC[NH+](C)C)CC1 ZINC001284976211 1146000554 /nfs/dbraw/zinc/00/05/54/1146000554.db2.gz CRUNGAGYVLEQGP-UHFFFAOYSA-N 1 3 307.482 2.433 20 0 DEADHO Cc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)CN(C)C(C)C)C2)cs1 ZINC001365832270 1146022746 /nfs/dbraw/zinc/02/27/46/1146022746.db2.gz XNGFPUGPCBRLIJ-FZNQNYSPSA-N 1 3 323.506 2.381 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1)N(C)C ZINC001365843358 1146025750 /nfs/dbraw/zinc/02/57/50/1146025750.db2.gz JANSJJVPBNBTCN-KZNAEPCWSA-N 1 3 317.477 2.257 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001365846489 1146026785 /nfs/dbraw/zinc/02/67/85/1146026785.db2.gz PCCJVUPOOSXCFP-IYARVYRRSA-N 1 3 317.477 2.321 20 0 DEADHO C[C@@H](N[C@@H](CNC(=O)CC[NH+](C)C)C1CC1)c1ccccc1F ZINC001366061404 1147034000 /nfs/dbraw/zinc/03/40/00/1147034000.db2.gz NKTYRVSZIJZICR-DYVFJYSZSA-N 1 3 321.440 2.323 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1F ZINC001366103930 1147057570 /nfs/dbraw/zinc/05/75/70/1147057570.db2.gz NFNZYBIHSOKKKC-INIZCTEOSA-N 1 3 321.440 2.165 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H](C)F)C1 ZINC001366163122 1147085347 /nfs/dbraw/zinc/08/53/47/1147085347.db2.gz SQMNEUIQSUAVBU-JONQDZQNSA-N 1 3 313.461 2.234 20 0 DEADHO CN(C)C1(C(=O)NCCC[C@@H]2CCC[N@@H+]2CC2CC2)CCC1 ZINC001492158738 1147104203 /nfs/dbraw/zinc/10/42/03/1147104203.db2.gz SEXPDFADAHSBCV-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C)C1(C(=O)NCCC[C@@H]2CCC[N@H+]2CC2CC2)CCC1 ZINC001492158738 1147104207 /nfs/dbraw/zinc/10/42/07/1147104207.db2.gz SEXPDFADAHSBCV-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H](F)CC[NH2+]C[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001317190700 1147119675 /nfs/dbraw/zinc/11/96/75/1147119675.db2.gz QNOLDUNSYNSJSC-GDBMZVCRSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H]([NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1)c1ccccc1 ZINC001366286458 1147193297 /nfs/dbraw/zinc/19/32/97/1147193297.db2.gz LTRKCMJWRMOUPO-LSDHHAIUSA-N 1 3 303.450 2.326 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001366347345 1147226692 /nfs/dbraw/zinc/22/66/92/1147226692.db2.gz PMHGVZOQIJJTAU-KBPBESRZSA-N 1 3 309.429 2.323 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1c(C)cccc1C)N(C)C ZINC001366354723 1147230955 /nfs/dbraw/zinc/23/09/55/1147230955.db2.gz RQEZNJTXJDNASW-NVXWUHKLSA-N 1 3 305.466 2.238 20 0 DEADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]Cc2ccccc2C2CC2)C1 ZINC001308255187 1147461448 /nfs/dbraw/zinc/46/14/48/1147461448.db2.gz CCLXJFPLWZWDRW-QGZVFWFLSA-N 1 3 315.461 2.241 20 0 DEADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@H+](CCC(F)(F)F)C1)N(C)C ZINC001366840666 1147589749 /nfs/dbraw/zinc/58/97/49/1147589749.db2.gz CWVQARPMELJPGD-STQMWFEESA-N 1 3 323.403 2.107 20 0 DEADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@@H+](CCC(F)(F)F)C1)N(C)C ZINC001366840666 1147589752 /nfs/dbraw/zinc/58/97/52/1147589752.db2.gz CWVQARPMELJPGD-STQMWFEESA-N 1 3 323.403 2.107 20 0 DEADHO C[NH+](C)CCCC(=O)N1C[C@@H]2C[C@H]1CN2CCCC(C)(C)C ZINC001366996625 1147630007 /nfs/dbraw/zinc/63/00/07/1147630007.db2.gz OQNXYCZLHVZWID-HOTGVXAUSA-N 1 3 309.498 2.440 20 0 DEADHO CN1CCC[C@H]1C(=O)NCCC[N@H+](Cc1ccsc1)C1CC1 ZINC001316913726 1147630268 /nfs/dbraw/zinc/63/02/68/1147630268.db2.gz HCJITUCHBYIWEV-INIZCTEOSA-N 1 3 321.490 2.313 20 0 DEADHO CN1CCC[C@H]1C(=O)NCCC[N@@H+](Cc1ccsc1)C1CC1 ZINC001316913726 1147630270 /nfs/dbraw/zinc/63/02/70/1147630270.db2.gz HCJITUCHBYIWEV-INIZCTEOSA-N 1 3 321.490 2.313 20 0 DEADHO C[NH+](C)CCCCC(=O)N[C@@H]1CCN(CCc2cccs2)C1 ZINC001316991593 1147645264 /nfs/dbraw/zinc/64/52/64/1147645264.db2.gz PDHAGQQUCJQKCM-OAHLLOKOSA-N 1 3 323.506 2.213 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1)N(C)C ZINC001367253930 1147669971 /nfs/dbraw/zinc/66/99/71/1147669971.db2.gz RLENAEOIHARQPF-RDJZCZTQSA-N 1 3 305.466 2.115 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001367269499 1147672015 /nfs/dbraw/zinc/67/20/15/1147672015.db2.gz MIQDPWIPGBKHCI-WMLDXEAASA-N 1 3 323.456 2.254 20 0 DEADHO Cc1cccc(C[NH2+]C[C@H](C)CNC(=O)CN2CC[C@H](C)C2)c1 ZINC001367270025 1147672236 /nfs/dbraw/zinc/67/22/36/1147672236.db2.gz HNZPJFPMGAEYLH-IRXDYDNUSA-N 1 3 317.477 2.179 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+]Cc1cccc(C)c1 ZINC001367288184 1147674433 /nfs/dbraw/zinc/67/44/33/1147674433.db2.gz LNBFAXNZMHHKKM-AWEZNQCLSA-N 1 3 314.433 2.111 20 0 DEADHO Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCN2C)c(C)s1 ZINC001367354650 1147683124 /nfs/dbraw/zinc/68/31/24/1147683124.db2.gz ICDONUYTBRZRBM-MLGOLLRUSA-N 1 3 323.506 2.396 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccccc1 ZINC001367557596 1147716031 /nfs/dbraw/zinc/71/60/31/1147716031.db2.gz ACNOEGWJHMESKI-ROUUACIJSA-N 1 3 317.477 2.401 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001317629592 1147735382 /nfs/dbraw/zinc/73/53/82/1147735382.db2.gz YFHGQPGTPAXMFD-QGZVFWFLSA-N 1 3 323.456 2.268 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]Cc1cc(C)cc(C)c1 ZINC001367766961 1147740006 /nfs/dbraw/zinc/74/00/06/1147740006.db2.gz YBNUTNHDAJMUTH-INIZCTEOSA-N 1 3 305.466 2.240 20 0 DEADHO CN(C)C1(C(=O)N[C@@H](C[NH2+]Cc2ccccc2)C2CC2)CCC1 ZINC001367894292 1147766910 /nfs/dbraw/zinc/76/69/10/1147766910.db2.gz GCKKDYNCQXWCSX-KRWDZBQOSA-N 1 3 315.461 2.155 20 0 DEADHO CC(C)CCCN1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001367962208 1147805078 /nfs/dbraw/zinc/80/50/78/1147805078.db2.gz RACFGMOBZDYBLY-ULQDDVLXSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CCCN1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001367962208 1147805079 /nfs/dbraw/zinc/80/50/79/1147805079.db2.gz RACFGMOBZDYBLY-ULQDDVLXSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CCN1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001367974577 1147811757 /nfs/dbraw/zinc/81/17/57/1147811757.db2.gz FGVWWONBGTUBHL-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CCCCC[NH2+]CC[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001326285230 1148069888 /nfs/dbraw/zinc/06/98/88/1148069888.db2.gz CMQAMDYARCHATN-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO COc1cc(C[NH2+]CCCN2CCCO[C@@H](C)C2)ccc1F ZINC001326375439 1148087662 /nfs/dbraw/zinc/08/76/62/1148087662.db2.gz JGIVNTMEUBKOTP-AWEZNQCLSA-N 1 3 310.413 2.425 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2ccsc2)C1)N(C)C ZINC001326410562 1148095024 /nfs/dbraw/zinc/09/50/24/1148095024.db2.gz AFRCJWQIEQZPPX-GOEBONIOSA-N 1 3 323.506 2.417 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCC1(C)CC[NH+](C(C)C)CC1 ZINC001368202201 1148322092 /nfs/dbraw/zinc/32/20/92/1148322092.db2.gz RAJAFXJKRHBVIF-INIZCTEOSA-N 1 3 309.498 2.486 20 0 DEADHO CCC(CC)(C[NH2+][C@@H](C)c1ccc(CN)nc1C)C(=O)OC ZINC000423032150 282120659 /nfs/dbraw/zinc/12/06/59/282120659.db2.gz DXFMXYOAJKTSLW-LBPRGKRZSA-N 1 3 307.438 2.479 20 0 DEADHO COC[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)OC ZINC000278631627 214290490 /nfs/dbraw/zinc/29/04/90/214290490.db2.gz GYYUHHBOABTXMX-OKYOBFRVSA-N 1 3 318.461 2.433 20 0 DEADHO COC[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)OC ZINC000278631627 214290491 /nfs/dbraw/zinc/29/04/91/214290491.db2.gz GYYUHHBOABTXMX-OKYOBFRVSA-N 1 3 318.461 2.433 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)N(C)C[C@@H]2CCCN(C)C2)CC1 ZINC000175951321 282197627 /nfs/dbraw/zinc/19/76/27/282197627.db2.gz CSNIJHFZLWFZJI-QGZVFWFLSA-N 1 3 324.513 2.092 20 0 DEADHO CCCCN(C)C(=O)C1CC[NH+](CC[C@@H]2CCCN2C)CC1 ZINC000179405879 282224717 /nfs/dbraw/zinc/22/47/17/282224717.db2.gz CXYMTMOXJKIKGR-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO COc1cc(NCCN[C@H]2CC[N@H+](C)[C@@H](C)C2)cc(OC)c1 ZINC000181604385 199326062 /nfs/dbraw/zinc/32/60/62/199326062.db2.gz MUVMAXOQOKYCLA-KBPBESRZSA-N 1 3 307.438 2.188 20 0 DEADHO COc1cc(NCCN[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(OC)c1 ZINC000181604385 199326064 /nfs/dbraw/zinc/32/60/64/199326064.db2.gz MUVMAXOQOKYCLA-KBPBESRZSA-N 1 3 307.438 2.188 20 0 DEADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000417814701 529987057 /nfs/dbraw/zinc/98/70/57/529987057.db2.gz QSNXPUXUWAHXDM-HOCLYGCPSA-N 1 3 303.450 2.171 20 0 DEADHO CN(Cc1cccc(C[NH+]2CCCCC2)c1)CC(C)(CO)CO ZINC000411318327 529993679 /nfs/dbraw/zinc/99/36/79/529993679.db2.gz CFCKAXUIYIAYEN-UHFFFAOYSA-N 1 3 320.477 2.095 20 0 DEADHO C[NH2+]C[C@H](C)CNC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000417622322 529996041 /nfs/dbraw/zinc/99/60/41/529996041.db2.gz IFZDZAZJGOGWOK-GJZGRUSLSA-N 1 3 320.481 2.271 20 0 DEADHO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000093482186 539431826 /nfs/dbraw/zinc/43/18/26/539431826.db2.gz UZKQPXBHKJWWMZ-DOTOQJQBSA-N 1 3 306.450 2.362 20 0 DEADHO C[C@H](O)C[C@H]1CCC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000093482186 539431830 /nfs/dbraw/zinc/43/18/30/539431830.db2.gz UZKQPXBHKJWWMZ-DOTOQJQBSA-N 1 3 306.450 2.362 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCCN2C)C1 ZINC000245390702 282384612 /nfs/dbraw/zinc/38/46/12/282384612.db2.gz MWEAAFWGQJTIGT-OWCLPIDISA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCCN2C)C1 ZINC000245390702 282384613 /nfs/dbraw/zinc/38/46/13/282384613.db2.gz MWEAAFWGQJTIGT-OWCLPIDISA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@H]2CCCN2C)C1 ZINC000245390701 282384628 /nfs/dbraw/zinc/38/46/28/282384628.db2.gz MWEAAFWGQJTIGT-BZUAXINKSA-N 1 3 324.513 2.136 20 0 DEADHO C[NH+](C)CCC1CCN(C[C@@H]2COc3ccccc3O2)CC1 ZINC000615462791 362613542 /nfs/dbraw/zinc/61/35/42/362613542.db2.gz WGHJDAAJLTWIRX-MRXNPFEDSA-N 1 3 304.434 2.490 20 0 DEADHO OCCN(Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000153632080 539545919 /nfs/dbraw/zinc/54/59/19/539545919.db2.gz ZVARVBSLTCIGHK-UHFFFAOYSA-N 1 3 304.434 2.118 20 0 DEADHO c1ccc(CN2CCC(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000161583653 539592721 /nfs/dbraw/zinc/59/27/21/539592721.db2.gz AQIOKZBZCHRVPQ-PKOBYXMFSA-N 1 3 314.477 2.262 20 0 DEADHO c1ccc(CN2CCC(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000161583653 539592724 /nfs/dbraw/zinc/59/27/24/539592724.db2.gz AQIOKZBZCHRVPQ-PKOBYXMFSA-N 1 3 314.477 2.262 20 0 DEADHO C[C@@H]1C[C@H](NCCc2nc3c(cccc3F)n2C)CC[N@@H+]1C ZINC000180862980 539647391 /nfs/dbraw/zinc/64/73/91/539647391.db2.gz AMYYZDNYBQJGBC-CHWSQXEVSA-N 1 3 304.413 2.327 20 0 DEADHO C[C@@H]1C[C@H](NCCc2nc3c(cccc3F)n2C)CC[N@H+]1C ZINC000180862980 539647393 /nfs/dbraw/zinc/64/73/93/539647393.db2.gz AMYYZDNYBQJGBC-CHWSQXEVSA-N 1 3 304.413 2.327 20 0 DEADHO C[C@@H]([NH2+]CC1(CO)CCC1)c1cccc(OCCN(C)C)c1 ZINC000184535805 539668527 /nfs/dbraw/zinc/66/85/27/539668527.db2.gz JSQMBGLENUETPE-OAHLLOKOSA-N 1 3 306.450 2.440 20 0 DEADHO C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CCN1Cc1ccccc1 ZINC000237373037 539745027 /nfs/dbraw/zinc/74/50/27/539745027.db2.gz XKYNCTHTGVYTBJ-NXHRZFHOSA-N 1 3 315.461 2.237 20 0 DEADHO Cc1ccc([C@H](CNC(=O)CC(C)(C)[NH3+])N2CCCC2)cc1 ZINC000237787093 539749605 /nfs/dbraw/zinc/74/96/05/539749605.db2.gz AQJPXMZRYHDOBY-INIZCTEOSA-N 1 3 303.450 2.376 20 0 DEADHO Cc1ccc(C[C@@H]([NH2+]CC2(O)CCN(C)CC2)C2CC2)cc1 ZINC000269005357 282694317 /nfs/dbraw/zinc/69/43/17/282694317.db2.gz QGZRWHKZLDEHRK-GOSISDBHSA-N 1 3 302.462 2.362 20 0 DEADHO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000625943922 365966978 /nfs/dbraw/zinc/96/69/78/365966978.db2.gz YMMZXZBQYNSGIH-CYBMUJFWSA-N 1 3 320.437 2.020 20 0 DEADHO CN(C)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000617352328 363105565 /nfs/dbraw/zinc/10/55/65/363105565.db2.gz XKEAGXGYNMFXPC-INIZCTEOSA-N 1 3 303.450 2.351 20 0 DEADHO CN(C)Cc1ccc(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000617352328 363105568 /nfs/dbraw/zinc/10/55/68/363105568.db2.gz XKEAGXGYNMFXPC-INIZCTEOSA-N 1 3 303.450 2.351 20 0 DEADHO C[C@@H]1CN(C(C)(C)CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@H](C)O1 ZINC000339067206 539986388 /nfs/dbraw/zinc/98/63/88/539986388.db2.gz FHERPCSAGNIBPC-TWMKSMIVSA-N 1 3 309.498 2.091 20 0 DEADHO C[C@@H]1CN(C(C)(C)CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@H](C)O1 ZINC000339067206 539986393 /nfs/dbraw/zinc/98/63/93/539986393.db2.gz FHERPCSAGNIBPC-TWMKSMIVSA-N 1 3 309.498 2.091 20 0 DEADHO CCO[C@H]1C[C@@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C1(C)C ZINC000182090988 199385934 /nfs/dbraw/zinc/38/59/34/199385934.db2.gz CTDLCKUIKMKYFK-CVEARBPZSA-N 1 3 321.465 2.315 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)NCCN(C)Cc1ccccc1 ZINC000339259805 539988169 /nfs/dbraw/zinc/98/81/69/539988169.db2.gz YWPDTMLJJVUKNI-QGZVFWFLSA-N 1 3 317.477 2.499 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCC(=O)NCCN(C)Cc1ccccc1 ZINC000339259805 539988173 /nfs/dbraw/zinc/98/81/73/539988173.db2.gz YWPDTMLJJVUKNI-QGZVFWFLSA-N 1 3 317.477 2.499 20 0 DEADHO FC(F)COCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423065018 282940269 /nfs/dbraw/zinc/94/02/69/282940269.db2.gz ARUBKXMQOYFVMP-CJNGLKHVSA-N 1 3 312.360 2.114 20 0 DEADHO CCN1CCC(NC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000043292316 354217932 /nfs/dbraw/zinc/21/79/32/354217932.db2.gz UBFWDNWMZUZJLN-QGZVFWFLSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H](N[C@@H]1CCc2ccccc2NC1=O)C1CC[NH+](C)CC1 ZINC000396460192 540138917 /nfs/dbraw/zinc/13/89/17/540138917.db2.gz DSAATMSOZHSIFZ-SUMWQHHRSA-N 1 3 301.434 2.260 20 0 DEADHO C[C@H](NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[C@@H](c1ccccc1)N(C)C ZINC000418178464 540170201 /nfs/dbraw/zinc/17/02/01/540170201.db2.gz IWFANHGSBKYGSI-LLLHUVSDSA-N 1 3 318.465 2.247 20 0 DEADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCc1nnc(-c2ccccc2)o1 ZINC000090658643 355566281 /nfs/dbraw/zinc/56/62/81/355566281.db2.gz MCHMAJDCBUOSQW-ZFWWWQNUSA-N 1 3 300.406 2.209 20 0 DEADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCc1nnc(-c2ccccc2)o1 ZINC000090658643 355566282 /nfs/dbraw/zinc/56/62/82/355566282.db2.gz MCHMAJDCBUOSQW-ZFWWWQNUSA-N 1 3 300.406 2.209 20 0 DEADHO CCN(CCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C1CC1 ZINC000101973266 355710393 /nfs/dbraw/zinc/71/03/93/355710393.db2.gz RSPHSCHOAQMABH-UHFFFAOYSA-N 1 3 310.486 2.079 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000449333019 540187418 /nfs/dbraw/zinc/18/74/18/540187418.db2.gz FTCJDLGTVWEKSN-DZUCGIPZSA-N 1 3 301.434 2.066 20 0 DEADHO CN1CCCN(CCC[NH2+]Cc2cccc3cccnc32)CC1 ZINC000105476660 355720202 /nfs/dbraw/zinc/72/02/02/355720202.db2.gz HUFKDJJGEQUZPQ-UHFFFAOYSA-N 1 3 312.461 2.352 20 0 DEADHO CN1CCCN(CCC[NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000105476246 355720243 /nfs/dbraw/zinc/72/02/43/355720243.db2.gz UMDHJJNBIJIBSO-UHFFFAOYSA-N 1 3 300.450 2.285 20 0 DEADHO COc1ccc(C)cc1CNCCC[N@@H+]1CCCN(C)CC1 ZINC000105476751 355720720 /nfs/dbraw/zinc/72/07/20/355720720.db2.gz SZUKWWLQUBYNRL-UHFFFAOYSA-N 1 3 305.466 2.121 20 0 DEADHO COc1ccc(C)cc1CNCCC[N@H+]1CCCN(C)CC1 ZINC000105476751 355720728 /nfs/dbraw/zinc/72/07/28/355720728.db2.gz SZUKWWLQUBYNRL-UHFFFAOYSA-N 1 3 305.466 2.121 20 0 DEADHO C[N@@H+]1CCC[C@H](CCNCc2cnn(CC(F)(F)F)c2)C1 ZINC000459747077 540209516 /nfs/dbraw/zinc/20/95/16/540209516.db2.gz ZSAJYZWXRQABEG-GFCCVEGCSA-N 1 3 304.360 2.267 20 0 DEADHO C[N@H+]1CCC[C@H](CCNCc2cnn(CC(F)(F)F)c2)C1 ZINC000459747077 540209521 /nfs/dbraw/zinc/20/95/21/540209521.db2.gz ZSAJYZWXRQABEG-GFCCVEGCSA-N 1 3 304.360 2.267 20 0 DEADHO C[C@@H](C(=O)N(C1CC1)C1CC[NH2+]CC1)[C@H](N)c1ccccc1 ZINC000370787241 283135413 /nfs/dbraw/zinc/13/54/13/283135413.db2.gz MXFYPPZVXJJMNY-DYVFJYSZSA-N 1 3 301.434 2.066 20 0 DEADHO CCS(=O)(=O)C[C@H](C)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000182456775 356127259 /nfs/dbraw/zinc/12/72/59/356127259.db2.gz PCAHKNQJIRTGJH-JYJNAYRXSA-N 1 3 318.527 2.157 20 0 DEADHO C[C@H]1CCCC[C@H]1C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000183021825 356156879 /nfs/dbraw/zinc/15/68/79/356156879.db2.gz GIEYGSDLUSVHGI-RDJZCZTQSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@@H](C1CC1)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000184937706 356199807 /nfs/dbraw/zinc/19/98/07/356199807.db2.gz MPLDBJPXMVFPNY-YOEHRIQHSA-N 1 3 303.450 2.136 20 0 DEADHO C[C@@H](C1CC1)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000184937706 356199813 /nfs/dbraw/zinc/19/98/13/356199813.db2.gz MPLDBJPXMVFPNY-YOEHRIQHSA-N 1 3 303.450 2.136 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CNC2CC2)cc1 ZINC000237348262 356296388 /nfs/dbraw/zinc/29/63/88/356296388.db2.gz NJXJZYHKIABPQX-OAHLLOKOSA-N 1 3 315.461 2.429 20 0 DEADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CNC2CC2)cc1 ZINC000237348262 356296391 /nfs/dbraw/zinc/29/63/91/356296391.db2.gz NJXJZYHKIABPQX-OAHLLOKOSA-N 1 3 315.461 2.429 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[C@@H](C)[NH3+] ZINC000399389070 283152392 /nfs/dbraw/zinc/15/23/92/283152392.db2.gz ROHNRXXLYUSFRT-NJAFHUGGSA-N 1 3 317.477 2.387 20 0 DEADHO Cc1cccc(OC[C@H](O)C[NH2+]C[C@@H](C)CN2CCCC2)c1 ZINC000315053211 356421115 /nfs/dbraw/zinc/42/11/15/356421115.db2.gz PRCHEHWFEMOTAF-IAGOWNOFSA-N 1 3 306.450 2.056 20 0 DEADHO CC[NH+](CC)Cc1cccc(CNC(=O)C2(N)CCCC2)c1 ZINC000236922146 202074376 /nfs/dbraw/zinc/07/43/76/202074376.db2.gz FAZGOTAMIHDLSK-UHFFFAOYSA-N 1 3 303.450 2.416 20 0 DEADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(CCN(C)C)Cc1cccs1 ZINC000423768157 283198236 /nfs/dbraw/zinc/19/82/36/283198236.db2.gz CSFAYHOHWXOVIX-LSDHHAIUSA-N 1 3 309.479 2.026 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C[NH2+]CC1CC1 ZINC000382723505 356677482 /nfs/dbraw/zinc/67/74/82/356677482.db2.gz PJNNYYKLRMGJBG-INIZCTEOSA-N 1 3 315.461 2.109 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618660365 363563215 /nfs/dbraw/zinc/56/32/15/363563215.db2.gz JCXSOZQUUOQSMA-NVXWUHKLSA-N 1 3 307.482 2.384 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618660365 363563221 /nfs/dbraw/zinc/56/32/21/363563221.db2.gz JCXSOZQUUOQSMA-NVXWUHKLSA-N 1 3 307.482 2.384 20 0 DEADHO CN(C)[C@@H](CNC(=O)CCC1CC[NH2+]CC1)c1ccccc1 ZINC000237134979 202162582 /nfs/dbraw/zinc/16/25/82/202162582.db2.gz JXCYFJYOFKWUPQ-KRWDZBQOSA-N 1 3 303.450 2.185 20 0 DEADHO COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)C1CC[NH+](C)CC1 ZINC000396496255 356716776 /nfs/dbraw/zinc/71/67/76/356716776.db2.gz RGKZNSWHXWGXFI-LBPRGKRZSA-N 1 3 307.394 2.423 20 0 DEADHO C[C@H]1C[C@H]1N1CCN(C(=O)NCC2([NH3+])CCCCC2)C[C@@H](C)C1 ZINC000578744131 356866090 /nfs/dbraw/zinc/86/60/90/356866090.db2.gz IZTAUSRGRBZYRQ-HRCADAONSA-N 1 3 322.497 2.020 20 0 DEADHO CCCN(CCN(C)C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000344836872 283228673 /nfs/dbraw/zinc/22/86/73/283228673.db2.gz VZYRSMFLDYCGOR-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(CCN(C)C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000344836872 283228678 /nfs/dbraw/zinc/22/86/78/283228678.db2.gz VZYRSMFLDYCGOR-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO CN(Cc1ccccc1N(C)C1CCN(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000579712170 357019312 /nfs/dbraw/zinc/01/93/12/357019312.db2.gz ODYFLPVDVCMENI-GOSISDBHSA-N 1 3 316.493 2.011 20 0 DEADHO COc1ccc([C@H]2C[C@H](N[C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])C2)cc1F ZINC000580827817 357086085 /nfs/dbraw/zinc/08/60/85/357086085.db2.gz QVGDAQIFIFFXKW-XMSFWSCYSA-N 1 3 322.424 2.422 20 0 DEADHO COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@H](C)N)C2)cc1F ZINC000580827817 357086091 /nfs/dbraw/zinc/08/60/91/357086091.db2.gz QVGDAQIFIFFXKW-XMSFWSCYSA-N 1 3 322.424 2.422 20 0 DEADHO Cc1ccc(C2(CNC[C@@H](O)C[N@@H+](C)C3CC3)CC2)c(C)c1 ZINC000581007178 357116305 /nfs/dbraw/zinc/11/63/05/357116305.db2.gz JMTVBCTUVQOLNB-QGZVFWFLSA-N 1 3 302.462 2.380 20 0 DEADHO Cc1ccc(C2(CNC[C@@H](O)C[N@H+](C)C3CC3)CC2)c(C)c1 ZINC000581007178 357116307 /nfs/dbraw/zinc/11/63/07/357116307.db2.gz JMTVBCTUVQOLNB-QGZVFWFLSA-N 1 3 302.462 2.380 20 0 DEADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1ccc2c(c1)OCC(=O)N2 ZINC000581489508 357196292 /nfs/dbraw/zinc/19/62/92/357196292.db2.gz BOJXOXQQRYOQRI-GFCCVEGCSA-N 1 3 311.385 2.327 20 0 DEADHO CC[NH+]1CCC(CNC(=O)NC[C@@H](C)N2CCC(C)CC2)CC1 ZINC000581679431 357230894 /nfs/dbraw/zinc/23/08/94/357230894.db2.gz XPTFHXVRUSKQTR-MRXNPFEDSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000660838692 540312751 /nfs/dbraw/zinc/31/27/51/540312751.db2.gz KRPUZDCASOVHSW-OWCLPIDISA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000660838692 540312753 /nfs/dbraw/zinc/31/27/53/540312753.db2.gz KRPUZDCASOVHSW-OWCLPIDISA-N 1 3 324.513 2.279 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000661954404 540324469 /nfs/dbraw/zinc/32/44/69/540324469.db2.gz WMJYCNORALIOBY-DLBZAZTESA-N 1 3 324.513 2.138 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000661954404 540324472 /nfs/dbraw/zinc/32/44/72/540324472.db2.gz WMJYCNORALIOBY-DLBZAZTESA-N 1 3 324.513 2.138 20 0 DEADHO CCC[C@@H](C)C[N@@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663512923 540340571 /nfs/dbraw/zinc/34/05/71/540340571.db2.gz QLSBAOCPDOAWRR-CVEARBPZSA-N 1 3 319.497 2.435 20 0 DEADHO CCC[C@@H](C)C[N@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663512923 540340574 /nfs/dbraw/zinc/34/05/74/540340574.db2.gz QLSBAOCPDOAWRR-CVEARBPZSA-N 1 3 319.497 2.435 20 0 DEADHO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CNC[C@H]2c2ccccc2)[C@H]1C ZINC000423499590 291124238 /nfs/dbraw/zinc/12/42/38/291124238.db2.gz CDWLPGYETWPYFM-PEJOBZMASA-N 1 3 316.445 2.309 20 0 DEADHO CCCN1CC[C@@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000666926086 540364998 /nfs/dbraw/zinc/36/49/98/540364998.db2.gz IWVMMFIJBSWENX-MRXNPFEDSA-N 1 3 322.497 2.131 20 0 DEADHO CCCN1CC[C@@H](NC(=O)N2CCC[N@H+](C3CCCC3)CC2)C1 ZINC000666926086 540365000 /nfs/dbraw/zinc/36/50/00/540365000.db2.gz IWVMMFIJBSWENX-MRXNPFEDSA-N 1 3 322.497 2.131 20 0 DEADHO Cc1cc(C[NH2+][C@H]2CCNC3(CCC3)C2)ccc1-n1cncn1 ZINC000666997039 540377004 /nfs/dbraw/zinc/37/70/04/540377004.db2.gz SSJLSSHHUFVTFX-INIZCTEOSA-N 1 3 311.433 2.340 20 0 DEADHO C[C@H](CNC(=O)[C@@H](C)[C@@H](N)c1ccccc1)C[NH+]1CCCC1 ZINC000237424901 202261804 /nfs/dbraw/zinc/26/18/04/202261804.db2.gz VIGSDTXDWZHESS-HLLBOEOZSA-N 1 3 303.450 2.171 20 0 DEADHO COC(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000496374809 283405930 /nfs/dbraw/zinc/40/59/30/283405930.db2.gz MIPPCNZYHUMOAM-HRCADAONSA-N 1 3 309.454 2.118 20 0 DEADHO O=C(Nc1cccc2c1CCNC2)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000667754025 540520908 /nfs/dbraw/zinc/52/09/08/540520908.db2.gz SJUDNOZOHGBBBG-HUUCEWRRSA-N 1 3 314.433 2.081 20 0 DEADHO O=C(Nc1cccc2c1CCNC2)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000667754025 540520912 /nfs/dbraw/zinc/52/09/12/540520912.db2.gz SJUDNOZOHGBBBG-HUUCEWRRSA-N 1 3 314.433 2.081 20 0 DEADHO CC[NH2+]Cc1cccc(NC(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000667768778 540523382 /nfs/dbraw/zinc/52/33/82/540523382.db2.gz PJAHQPYBNVCLOF-KRWDZBQOSA-N 1 3 316.449 2.498 20 0 DEADHO CCOC(=O)c1cccc(CN(C)CC2CC[NH+](C)CC2)n1 ZINC000600118044 359653914 /nfs/dbraw/zinc/65/39/14/359653914.db2.gz PVQIGDQCFYHKBZ-UHFFFAOYSA-N 1 3 305.422 2.032 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)N(C)C ZINC000187467520 200115876 /nfs/dbraw/zinc/11/58/76/200115876.db2.gz DLFREYWNBKIFCH-ZWKOTPCHSA-N 1 3 317.477 2.353 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)N(C)C ZINC000187467520 200115877 /nfs/dbraw/zinc/11/58/77/200115877.db2.gz DLFREYWNBKIFCH-ZWKOTPCHSA-N 1 3 317.477 2.353 20 0 DEADHO C[C@@]1(C(=O)NCCCN2CCc3ccccc3C2)CCCC[NH2+]1 ZINC000237579024 202290061 /nfs/dbraw/zinc/29/00/61/202290061.db2.gz CQAZTFJEZYJOAW-IBGZPJMESA-N 1 3 315.461 2.083 20 0 DEADHO C[C@H]1C[C@H](NC(=O)CC2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000237562754 202284418 /nfs/dbraw/zinc/28/44/18/202284418.db2.gz SUVWEHCFZDRFTB-YJBOKZPZSA-N 1 3 315.461 2.155 20 0 DEADHO CCN(C(=O)C1C[NH+](C2CCCCC2)C1)C1CCN(C)CC1 ZINC000627615716 366566153 /nfs/dbraw/zinc/56/61/53/366566153.db2.gz KZSZECKYIUQDJJ-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO [NH3+]C[C@@H]1CCCCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000237854789 202370192 /nfs/dbraw/zinc/37/01/92/202370192.db2.gz PHTXBWGANWVPNV-KRWDZBQOSA-N 1 3 301.434 2.236 20 0 DEADHO O=C([C@@H]1CCCN1C1CC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000426875568 296016165 /nfs/dbraw/zinc/01/61/65/296016165.db2.gz OLOVJAKNCSQTEY-RDJZCZTQSA-N 1 3 305.466 2.090 20 0 DEADHO C[C@@H](C[NH+]1CCC(N2CC[C@@H](O)C2)CC1)c1ccc(F)cc1 ZINC000668739163 540722035 /nfs/dbraw/zinc/72/20/35/540722035.db2.gz JROJPVIATXVSJV-KBXCAEBGSA-N 1 3 306.425 2.460 20 0 DEADHO C[C@@H](C(=O)NCc1ccccc1Cl)N1CCC[C@@H](CC[NH3+])C1 ZINC000443064289 238102398 /nfs/dbraw/zinc/10/23/98/238102398.db2.gz XWNYAHUIACRTPM-KBPBESRZSA-N 1 3 323.868 2.406 20 0 DEADHO Cc1ccccc1CNC(=O)[C@@H](C)N1CCC[C@@H](CC[NH3+])C1 ZINC000443060613 238102417 /nfs/dbraw/zinc/10/24/17/238102417.db2.gz PIKXYWLEPZGUKT-CVEARBPZSA-N 1 3 303.450 2.061 20 0 DEADHO [NH3+]CC[C@@H]1CCCN(CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000443070931 238102982 /nfs/dbraw/zinc/10/29/82/238102982.db2.gz LWWKFXZBOKLZBC-KRWDZBQOSA-N 1 3 315.461 2.238 20 0 DEADHO CCC[C@@H](C)NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000608616571 361240594 /nfs/dbraw/zinc/24/05/94/361240594.db2.gz YEJWWULFNVMYEH-CVEARBPZSA-N 1 3 312.502 2.233 20 0 DEADHO CCC[C@@H](C)NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000608616571 361240603 /nfs/dbraw/zinc/24/06/03/361240603.db2.gz YEJWWULFNVMYEH-CVEARBPZSA-N 1 3 312.502 2.233 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@@H+](CC[C@H](C)F)CC1(C)C ZINC001422095629 1172300291 /nfs/dbraw/zinc/30/02/91/1172300291.db2.gz WVEUCERPTLLERY-GJZGRUSLSA-N 1 3 315.477 2.291 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@H+](CC[C@H](C)F)CC1(C)C ZINC001422095629 1172300301 /nfs/dbraw/zinc/30/03/01/1172300301.db2.gz WVEUCERPTLLERY-GJZGRUSLSA-N 1 3 315.477 2.291 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CCC)C1 ZINC001120448843 781943043 /nfs/dbraw/zinc/94/30/43/781943043.db2.gz HGIXMRNQJSHVOW-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CCC)C1 ZINC001120448843 781943053 /nfs/dbraw/zinc/94/30/53/781943053.db2.gz HGIXMRNQJSHVOW-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CCC[C@@](C)([NH3+])C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000262015888 283690953 /nfs/dbraw/zinc/69/09/53/283690953.db2.gz WZPJMIMTPSJTDG-FUHWJXTLSA-N 1 3 303.450 2.457 20 0 DEADHO CN(C)[C@@H](CNC(=O)C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000195270870 201371686 /nfs/dbraw/zinc/37/16/86/201371686.db2.gz NLSMHCZKXKYGHG-SFHVURJKSA-N 1 3 315.461 2.280 20 0 DEADHO CCC[NH+]1CCC(N(C)C(=O)N[C@H](CC)CN2CCCC2)CC1 ZINC000675192994 541300345 /nfs/dbraw/zinc/30/03/45/541300345.db2.gz AVZGUIAHTSUFHU-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)N(CC)CC ZINC000621105827 364257978 /nfs/dbraw/zinc/25/79/78/364257978.db2.gz YVWWOCUIEZJZIL-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)N(CC)CC ZINC000621105827 364257985 /nfs/dbraw/zinc/25/79/85/364257985.db2.gz YVWWOCUIEZJZIL-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](NC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)[C@H](c1ccccc1)N(C)C ZINC000418187623 296069183 /nfs/dbraw/zinc/06/91/83/296069183.db2.gz SVSNJYCKQHVPFP-XOSAIJSUSA-N 1 3 318.465 2.057 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1cccc(CN(C)C)c1 ZINC000623054337 364869674 /nfs/dbraw/zinc/86/96/74/364869674.db2.gz KFASAMLPXUIFQW-BBRMVZONSA-N 1 3 304.438 2.482 20 0 DEADHO FC(F)CN1CCC(C[NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000623089482 364881773 /nfs/dbraw/zinc/88/17/73/364881773.db2.gz JQUHGCBRXXUUEC-LSDHHAIUSA-N 1 3 301.425 2.180 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000449330569 240383133 /nfs/dbraw/zinc/38/31/33/240383133.db2.gz UVSAPDKJZDPHTF-JKSUJKDBSA-N 1 3 309.498 2.474 20 0 DEADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@H](C)NC1CC1 ZINC000449335463 240383462 /nfs/dbraw/zinc/38/34/62/240383462.db2.gz IMBWGQCPYVJVHM-INIZCTEOSA-N 1 3 317.477 2.498 20 0 DEADHO CCN1C[C@H](C)[C@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000623743319 365158638 /nfs/dbraw/zinc/15/86/38/365158638.db2.gz PDEKUSBIKXBRJC-BHYGNILZSA-N 1 3 322.497 2.033 20 0 DEADHO CCN1C[C@H](C)[C@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000623743319 365158644 /nfs/dbraw/zinc/15/86/44/365158644.db2.gz PDEKUSBIKXBRJC-BHYGNILZSA-N 1 3 322.497 2.033 20 0 DEADHO C[N@@H+]1CCCN(CCCN[C@@H]2CCCc3scnc32)CC1 ZINC000623888360 365211996 /nfs/dbraw/zinc/21/19/96/365211996.db2.gz CTBGQDYLMWQKRB-CQSZACIVSA-N 1 3 308.495 2.138 20 0 DEADHO C[N@H+]1CCCN(CCCN[C@@H]2CCCc3scnc32)CC1 ZINC000623888360 365211998 /nfs/dbraw/zinc/21/19/98/365211998.db2.gz CTBGQDYLMWQKRB-CQSZACIVSA-N 1 3 308.495 2.138 20 0 DEADHO C[C@@H](NC[C@@H]1CCCC[N@H+](C)C1)c1cccc(-n2cnnn2)c1 ZINC000624119676 365296210 /nfs/dbraw/zinc/29/62/10/365296210.db2.gz GVTKGNNHVMYRSX-CABCVRRESA-N 1 3 314.437 2.045 20 0 DEADHO C[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1cccc(-n2cnnn2)c1 ZINC000624119676 365296211 /nfs/dbraw/zinc/29/62/11/365296211.db2.gz GVTKGNNHVMYRSX-CABCVRRESA-N 1 3 314.437 2.045 20 0 DEADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccc(-n2cnnn2)c1 ZINC000624119676 365296212 /nfs/dbraw/zinc/29/62/12/365296212.db2.gz GVTKGNNHVMYRSX-CABCVRRESA-N 1 3 314.437 2.045 20 0 DEADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000624123966 365298440 /nfs/dbraw/zinc/29/84/40/365298440.db2.gz VBNOTNQBAKLJCW-KBPBESRZSA-N 1 3 317.433 2.400 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000624338651 365386659 /nfs/dbraw/zinc/38/66/59/365386659.db2.gz ZODYXNPMXARRMT-HOCLYGCPSA-N 1 3 322.497 2.175 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000624338651 365386665 /nfs/dbraw/zinc/38/66/65/365386665.db2.gz ZODYXNPMXARRMT-HOCLYGCPSA-N 1 3 322.497 2.175 20 0 DEADHO CCc1nc(C(C)C)ccc1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000629537346 367240006 /nfs/dbraw/zinc/24/00/06/367240006.db2.gz PVHMCQKTHCYYEI-KRWDZBQOSA-N 1 3 316.493 2.247 20 0 DEADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2cc(CO)ccc2F)C1 ZINC000629548452 367244670 /nfs/dbraw/zinc/24/46/70/367244670.db2.gz NSGJGIBXTDOVJM-NXHRZFHOSA-N 1 3 322.424 2.179 20 0 DEADHO c1c(CN[C@@H]2CCCC23CCCCC3)nnn1[C@@H]1CC[NH2+]C1 ZINC000629551680 367246020 /nfs/dbraw/zinc/24/60/20/367246020.db2.gz WPVPFSJVELCMHY-HZPDHXFCSA-N 1 3 303.454 2.405 20 0 DEADHO O[C@H](CNCC1(c2ccc(F)cc2)CCC1)C[NH+]1CCCC1 ZINC000629559587 367251046 /nfs/dbraw/zinc/25/10/46/367251046.db2.gz UTAQYOITOINTNO-QGZVFWFLSA-N 1 3 306.425 2.294 20 0 DEADHO C[C@@H](C[NH2+]C[C@H](O)CN1CCCC1)Oc1cccc(Cl)c1 ZINC000629563618 367253306 /nfs/dbraw/zinc/25/33/06/367253306.db2.gz HLEDNDMYBYBEOB-ZFWWWQNUSA-N 1 3 312.841 2.154 20 0 DEADHO Cc1ccc([C@@H]2OCCC[C@H]2[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000629564933 367255341 /nfs/dbraw/zinc/25/53/41/367255341.db2.gz LYLHCEOHISRLMF-OTWHNJEPSA-N 1 3 318.461 2.261 20 0 DEADHO O[C@H](CNCCN1CCC2(CCCCC2)CC1)C[NH+]1CCCC1 ZINC000629577889 367258617 /nfs/dbraw/zinc/25/86/17/367258617.db2.gz KQAPNLAQUGOCFG-GOSISDBHSA-N 1 3 323.525 2.079 20 0 DEADHO CN(CCOCC[NH3+])Cc1c(-c2ccccc2)nc2ccccn21 ZINC000629578593 367259189 /nfs/dbraw/zinc/25/91/89/367259189.db2.gz SRNLYRTWHCAMIQ-UHFFFAOYSA-N 1 3 324.428 2.408 20 0 DEADHO CN(CC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)C1CCC1 ZINC000629972776 367408383 /nfs/dbraw/zinc/40/83/83/367408383.db2.gz FCPXHRHJFAVRAD-UHFFFAOYSA-N 1 3 321.440 2.200 20 0 DEADHO CN(CC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1)C1CCC1 ZINC000630011634 367437373 /nfs/dbraw/zinc/43/73/73/367437373.db2.gz LOGHOPYESUGEBJ-UHFFFAOYSA-N 1 3 317.477 2.498 20 0 DEADHO CN(CC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1)C1CCC1 ZINC000630011634 367437376 /nfs/dbraw/zinc/43/73/76/367437376.db2.gz LOGHOPYESUGEBJ-UHFFFAOYSA-N 1 3 317.477 2.498 20 0 DEADHO CCO[C@H]1C[C@H]([NH2+]CCCN2CCN(C(C)C)CC2)C12CCC2 ZINC000451481268 243009537 /nfs/dbraw/zinc/00/95/37/243009537.db2.gz RBTMUZSYURJIOP-ROUUACIJSA-N 1 3 323.525 2.340 20 0 DEADHO CCC1(O)CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000678277457 541706179 /nfs/dbraw/zinc/70/61/79/541706179.db2.gz JJAREPQPFJDJEM-UHFFFAOYSA-N 1 3 306.450 2.364 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261546864 203075656 /nfs/dbraw/zinc/07/56/56/203075656.db2.gz LKDSACXGKDGHLM-MVJTYMMSSA-N 1 3 317.477 2.387 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261546864 203075660 /nfs/dbraw/zinc/07/56/60/203075660.db2.gz LKDSACXGKDGHLM-MVJTYMMSSA-N 1 3 317.477 2.387 20 0 DEADHO O=C(CC[C@@H]1CCC[NH2+]1)NC1CCN(Cc2ccccc2)CC1 ZINC000261533434 203076340 /nfs/dbraw/zinc/07/63/40/203076340.db2.gz AZAGJFOESKGLCR-KRWDZBQOSA-N 1 3 315.461 2.299 20 0 DEADHO CC(C)C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000262428235 203291170 /nfs/dbraw/zinc/29/11/70/203291170.db2.gz BHJVZICDMGUROW-GOSISDBHSA-N 1 3 317.477 2.081 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)[C@@H](C)C1 ZINC000453333198 245070166 /nfs/dbraw/zinc/07/01/66/245070166.db2.gz BEULOXNGBNCMJZ-BDZKXGRMSA-N 1 3 323.525 2.338 20 0 DEADHO C[C@@H]([NH2+]C[C@@H](O)C1CCC1)c1ccc(OCCN(C)C)cc1 ZINC000453389520 245114021 /nfs/dbraw/zinc/11/40/21/245114021.db2.gz RKXDGMINEWHPKO-RDTXWAMCSA-N 1 3 306.450 2.439 20 0 DEADHO CN1CCC(CC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000529716364 284248514 /nfs/dbraw/zinc/24/85/14/284248514.db2.gz AZMMSKDGEVSWNE-KRWDZBQOSA-N 1 3 307.482 2.242 20 0 DEADHO CN1CCC(CC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000529716364 284248516 /nfs/dbraw/zinc/24/85/16/284248516.db2.gz AZMMSKDGEVSWNE-KRWDZBQOSA-N 1 3 307.482 2.242 20 0 DEADHO C[NH+](C)C/C=C/C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000264648252 204053071 /nfs/dbraw/zinc/05/30/71/204053071.db2.gz RUEDKHKTDIRBHH-VGMNTSGFSA-N 1 3 301.434 2.058 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)/C=C/CN(C)C)Cc1ccccc1 ZINC000264652252 204054300 /nfs/dbraw/zinc/05/43/00/204054300.db2.gz SQPSTVSXQXPQJO-LVMGUKCRSA-N 1 3 317.477 2.174 20 0 DEADHO CC(C)(C)CC(=O)N1CCC([NH2+][C@H]2CCNC23CCC3)CC1 ZINC000530179254 284361050 /nfs/dbraw/zinc/36/10/50/284361050.db2.gz RGXCJCCWZLPZCU-HNNXBMFYSA-N 1 3 307.482 2.288 20 0 DEADHO COc1cc2nccc(N[C@@H]3CC[NH2+]C34CCC4)c2cc1OC ZINC000530180137 284361518 /nfs/dbraw/zinc/36/15/18/284361518.db2.gz SGPOALSVMULQBO-QGZVFWFLSA-N 1 3 313.401 2.370 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCC3CC3)[C@H]2C1 ZINC001369421226 1148965228 /nfs/dbraw/zinc/96/52/28/1148965228.db2.gz PWUGUPVRPZXBLT-BZSNNMDCSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H](CCC[NH3+])N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000530222677 284377762 /nfs/dbraw/zinc/37/77/62/284377762.db2.gz SUXDVFJMBPRDGI-ZWNOBZJWSA-N 1 3 313.804 2.301 20 0 DEADHO Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N ZINC000530223327 284377934 /nfs/dbraw/zinc/37/79/34/284377934.db2.gz UAYMCUXGGJQEDZ-YMRXKLBXSA-N 1 3 319.424 2.500 20 0 DEADHO CNC[C@](C)(O)C[N@@H+]1C[C@@H](c2cccc(OC)c2)C(C)(C)C1 ZINC000530230565 284381174 /nfs/dbraw/zinc/38/11/74/284381174.db2.gz HQXVLXXSWNHORU-WMZOPIPTSA-N 1 3 306.450 2.091 20 0 DEADHO CNC[C@](C)(O)C[N@H+]1C[C@@H](c2cccc(OC)c2)C(C)(C)C1 ZINC000530230565 284381175 /nfs/dbraw/zinc/38/11/75/284381175.db2.gz HQXVLXXSWNHORU-WMZOPIPTSA-N 1 3 306.450 2.091 20 0 DEADHO CCc1ncc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)s1 ZINC000530249004 284385501 /nfs/dbraw/zinc/38/55/01/284385501.db2.gz SIIPSYVAOOAIBS-CQSZACIVSA-N 1 3 309.479 2.296 20 0 DEADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2=CCN(C)CC2)cc1 ZINC000271818905 209242808 /nfs/dbraw/zinc/24/28/08/209242808.db2.gz BYNWLEGHSWDBJM-CQSZACIVSA-N 1 3 317.433 2.264 20 0 DEADHO C[C@H](NC(=O)/C=C\CN(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492394589 249056004 /nfs/dbraw/zinc/05/60/04/249056004.db2.gz FUJYTKHSOWKJIA-JIMGESQPSA-N 1 3 315.461 2.131 20 0 DEADHO C[C@H](NC(=O)/C=C\CN(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492394589 249056005 /nfs/dbraw/zinc/05/60/05/249056005.db2.gz FUJYTKHSOWKJIA-JIMGESQPSA-N 1 3 315.461 2.131 20 0 DEADHO CN(C)C/C=C\C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000492747579 249130536 /nfs/dbraw/zinc/13/05/36/249130536.db2.gz CSDJVBBFVGHMCG-KOTDBNOLSA-N 1 3 315.461 2.275 20 0 DEADHO CN(C)C/C=C\C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000492747579 249130539 /nfs/dbraw/zinc/13/05/39/249130539.db2.gz CSDJVBBFVGHMCG-KOTDBNOLSA-N 1 3 315.461 2.275 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)CC1 ZINC000681673752 542187685 /nfs/dbraw/zinc/18/76/85/542187685.db2.gz UPHSQJJLNBKHGF-MRXNPFEDSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)cc1 ZINC000681750976 542200820 /nfs/dbraw/zinc/20/08/20/542200820.db2.gz PALDMVZSTVHCRN-QGZVFWFLSA-N 1 3 306.450 2.362 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+]2CCC[C@@H]2C(C)(C)O)cc1 ZINC000681750976 542200823 /nfs/dbraw/zinc/20/08/23/542200823.db2.gz PALDMVZSTVHCRN-QGZVFWFLSA-N 1 3 306.450 2.362 20 0 DEADHO CN(C)C/C=C/C(=O)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000493779643 249397332 /nfs/dbraw/zinc/39/73/32/249397332.db2.gz CRJYXIGWQZHZON-DHZHZOJOSA-N 1 3 307.482 2.361 20 0 DEADHO CN1CCN(CC[C@H]2CCC[N@@H+]2C)C[C@@H]1Cc1ccccc1 ZINC000284739186 218156426 /nfs/dbraw/zinc/15/64/26/218156426.db2.gz KPXKZPBGSRIMJB-MOPGFXCFSA-N 1 3 301.478 2.329 20 0 DEADHO CN1CCN(CC[C@H]2CCC[N@H+]2C)C[C@@H]1Cc1ccccc1 ZINC000284739186 218156427 /nfs/dbraw/zinc/15/64/27/218156427.db2.gz KPXKZPBGSRIMJB-MOPGFXCFSA-N 1 3 301.478 2.329 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H]2CCc3c2cccc3OC)CC1 ZINC000268857489 207023987 /nfs/dbraw/zinc/02/39/87/207023987.db2.gz XXKKFJGJVCHUEG-SFHVURJKSA-N 1 3 317.477 2.300 20 0 DEADHO CC(C)N(C)CC(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000110872339 194364999 /nfs/dbraw/zinc/36/49/99/194364999.db2.gz XLEYRXXEIAKVBA-UHFFFAOYSA-N 1 3 305.466 2.483 20 0 DEADHO CC(C)N(C)CC(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000110872339 194365001 /nfs/dbraw/zinc/36/50/01/194365001.db2.gz XLEYRXXEIAKVBA-UHFFFAOYSA-N 1 3 305.466 2.483 20 0 DEADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2c(c1)CC(=O)N2C ZINC000268902861 207070777 /nfs/dbraw/zinc/07/07/77/207070777.db2.gz MQVOIAUBUZERLL-XEZPLFJOSA-N 1 3 301.434 2.339 20 0 DEADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2c(c1)CC(=O)N2C ZINC000268902861 207070778 /nfs/dbraw/zinc/07/07/78/207070778.db2.gz MQVOIAUBUZERLL-XEZPLFJOSA-N 1 3 301.434 2.339 20 0 DEADHO O=C(NC[C@@H]1CCC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000269214876 207333763 /nfs/dbraw/zinc/33/37/63/207333763.db2.gz QJGCBYYNLQZFHR-QGZVFWFLSA-N 1 3 315.461 2.014 20 0 DEADHO C[NH+](C)C1(CNC(=O)[C@@H](CN)c2ccccc2)CCCCCC1 ZINC000269242734 207374674 /nfs/dbraw/zinc/37/46/74/207374674.db2.gz RQDURLAIBPRGSV-KRWDZBQOSA-N 1 3 317.477 2.500 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(CN(C)C)cc2)C1 ZINC000119796531 195038035 /nfs/dbraw/zinc/03/80/35/195038035.db2.gz AYZXBXRCQVLGOP-KRWDZBQOSA-N 1 3 317.477 2.456 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(CN(C)C)cc2)C1 ZINC000119796531 195038036 /nfs/dbraw/zinc/03/80/36/195038036.db2.gz AYZXBXRCQVLGOP-KRWDZBQOSA-N 1 3 317.477 2.456 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000120165246 195109193 /nfs/dbraw/zinc/10/91/93/195109193.db2.gz NKUVIEDJSGVJNT-UXLLHSPISA-N 1 3 303.450 2.278 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000120165246 195109195 /nfs/dbraw/zinc/10/91/95/195109195.db2.gz NKUVIEDJSGVJNT-UXLLHSPISA-N 1 3 303.450 2.278 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000158130759 197246352 /nfs/dbraw/zinc/24/63/52/197246352.db2.gz MBKMYTWROYCHQL-INIZCTEOSA-N 1 3 312.502 2.088 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000157311786 197179296 /nfs/dbraw/zinc/17/92/96/197179296.db2.gz OQHAJYRXKGOOKB-UHFFFAOYSA-N 1 3 312.502 2.090 20 0 DEADHO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000541720723 285181796 /nfs/dbraw/zinc/18/17/96/285181796.db2.gz TXCLEKOFMHTCGD-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000541720723 285181799 /nfs/dbraw/zinc/18/17/99/285181799.db2.gz TXCLEKOFMHTCGD-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@]2(C)CCC[NH2+]C2)CN1Cc1ccccc1 ZINC000120449054 195168436 /nfs/dbraw/zinc/16/84/36/195168436.db2.gz KJNNQQXRYMOGOM-SZVBFZGTSA-N 1 3 315.461 2.155 20 0 DEADHO CCN(C[C@H](O)C[N@H+](C)C1CC1)[C@H](C)Cc1ccc(OC)cc1 ZINC000289510974 221030198 /nfs/dbraw/zinc/03/01/98/221030198.db2.gz ALERDDDSMXVEBK-CRAIPNDOSA-N 1 3 320.477 2.403 20 0 DEADHO CCN(C[C@H](O)C[N@@H+](C)C1CC1)[C@H](C)Cc1ccc(OC)cc1 ZINC000289510974 221030200 /nfs/dbraw/zinc/03/02/00/221030200.db2.gz ALERDDDSMXVEBK-CRAIPNDOSA-N 1 3 320.477 2.403 20 0 DEADHO CC[NH+]1CCC(NC[C@@]2(COC)OCCc3ccccc32)CC1 ZINC000289855544 221271269 /nfs/dbraw/zinc/27/12/69/221271269.db2.gz QSSHXIFEOSBDLH-IBGZPJMESA-N 1 3 318.461 2.175 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CN1Cc1ccccc1 ZINC000290038806 221395688 /nfs/dbraw/zinc/39/56/88/221395688.db2.gz ULWRHBFGVSONDE-XYVMCAHJSA-N 1 3 315.461 2.154 20 0 DEADHO O[C@@H]1c2ccccc2C[C@@H]1[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000247782656 285338688 /nfs/dbraw/zinc/33/86/88/285338688.db2.gz UEZBQMSEZQAUAH-ZYSHUDEJSA-N 1 3 300.446 2.453 20 0 DEADHO O[C@@H]1c2ccccc2C[C@@H]1[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000247782656 285338689 /nfs/dbraw/zinc/33/86/89/285338689.db2.gz UEZBQMSEZQAUAH-ZYSHUDEJSA-N 1 3 300.446 2.453 20 0 DEADHO COc1ccc(CCN[C@@H]2CCC[C@@H]2[NH3+])cc1OC(F)F ZINC000422883031 533498641 /nfs/dbraw/zinc/49/86/41/533498641.db2.gz UCNOWPDIUDILDT-NWDGAFQWSA-N 1 3 300.349 2.309 20 0 DEADHO C[C@H](CC(=O)NCc1ccc(CN(C)C)cc1)C1CC[NH2+]CC1 ZINC000423730010 533662495 /nfs/dbraw/zinc/66/24/95/533662495.db2.gz NBVZCZAAXHIWNS-OAHLLOKOSA-N 1 3 317.477 2.390 20 0 DEADHO COCc1ccc(CN(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000685457353 542727203 /nfs/dbraw/zinc/72/72/03/542727203.db2.gz BEOULOKVNJOCBV-INIZCTEOSA-N 1 3 321.465 2.026 20 0 DEADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCCN1CCN(CC)CC1 ZINC000353918414 133011420 /nfs/dbraw/zinc/01/14/20/133011420.db2.gz TXQIJXWEELDZPR-ROUUACIJSA-N 1 3 311.514 2.199 20 0 DEADHO CCOc1ccc(C[NH2+]CCCCN2CCN(C)CC2)cc1F ZINC000562926301 292017011 /nfs/dbraw/zinc/01/70/11/292017011.db2.gz RBCDJAXFOWQAOM-UHFFFAOYSA-N 1 3 323.456 2.342 20 0 DEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1cccc(CN2CCCC2=O)c1 ZINC000358101416 133121001 /nfs/dbraw/zinc/12/10/01/133121001.db2.gz USTPGBIQPQSSBU-QAPCUYQASA-N 1 3 315.461 2.239 20 0 DEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1cccc(CN2CCCC2=O)c1 ZINC000358101416 133121002 /nfs/dbraw/zinc/12/10/02/133121002.db2.gz USTPGBIQPQSSBU-QAPCUYQASA-N 1 3 315.461 2.239 20 0 DEADHO C[NH+](C)CC1CCN(CCc2ccc3c(c2)OCCO3)CC1 ZINC000360011742 133157605 /nfs/dbraw/zinc/15/76/05/133157605.db2.gz XZDXGLPTHFQOKC-UHFFFAOYSA-N 1 3 304.434 2.274 20 0 DEADHO CN1CCC[C@@H]2C[N@H+](CCc3ccc4c(c3)OCCO4)CC[C@@H]21 ZINC000360028223 133157777 /nfs/dbraw/zinc/15/77/77/133157777.db2.gz RXNASTPDMWACIP-SJORKVTESA-N 1 3 316.445 2.416 20 0 DEADHO CN1CCC[C@@H]2C[N@@H+](CCc3ccc4c(c3)OCCO4)CC[C@@H]21 ZINC000360028223 133157778 /nfs/dbraw/zinc/15/77/78/133157778.db2.gz RXNASTPDMWACIP-SJORKVTESA-N 1 3 316.445 2.416 20 0 DEADHO CCN(CC)[C@@H](C[NH2+]C1CCN(CCOC)CC1)c1ccco1 ZINC000360153444 133165773 /nfs/dbraw/zinc/16/57/73/133165773.db2.gz BGRIDNWTHXOAKE-KRWDZBQOSA-N 1 3 323.481 2.363 20 0 DEADHO CCN(CC)[C@@H](CNC1CC[NH+](CCOC)CC1)c1ccco1 ZINC000360153444 133165774 /nfs/dbraw/zinc/16/57/74/133165774.db2.gz BGRIDNWTHXOAKE-KRWDZBQOSA-N 1 3 323.481 2.363 20 0 DEADHO C[C@H](C[NH2+]C1CCN(Cc2ccccn2)CC1)CN1CCCC1 ZINC000360416366 133181024 /nfs/dbraw/zinc/18/10/24/133181024.db2.gz GPECDESYXVXCMH-QGZVFWFLSA-N 1 3 316.493 2.368 20 0 DEADHO CSCC[C@H](N)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000362571232 133239667 /nfs/dbraw/zinc/23/96/67/133239667.db2.gz VPMOVTZWABHLDM-NSHDSACASA-N 1 3 321.368 2.183 20 0 DEADHO CN1CCC(CC(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000368279635 133267711 /nfs/dbraw/zinc/26/77/11/133267711.db2.gz OYIZFJQCBYWADH-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO Cn1nccc1N1CCC[C@H](NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000376468348 133296133 /nfs/dbraw/zinc/29/61/33/133296133.db2.gz KJUXPSQGRHGIRH-INIZCTEOSA-N 1 3 319.497 2.241 20 0 DEADHO C(CN[C@H]1CCCC[C@H]1N1CCOCC1)C[NH+]1CCCCC1 ZINC000373068178 133376770 /nfs/dbraw/zinc/37/67/70/133376770.db2.gz DNIJAXAMUSAPHR-ZWKOTPCHSA-N 1 3 309.498 2.095 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CN1C1CC1 ZINC000563380955 292051742 /nfs/dbraw/zinc/05/17/42/292051742.db2.gz IJTWPBKJSHIZST-RHSMWYFYSA-N 1 3 315.461 2.146 20 0 DEADHO [NH3+][C@H]1CCC[C@H](N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)C1 ZINC000564470277 292096699 /nfs/dbraw/zinc/09/66/99/292096699.db2.gz LLTDTUSUGBDRPT-RWMBFGLXSA-N 1 3 321.387 2.179 20 0 DEADHO N[C@H]1CCC[C@H]([NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)C1 ZINC000564470277 292096700 /nfs/dbraw/zinc/09/67/00/292096700.db2.gz LLTDTUSUGBDRPT-RWMBFGLXSA-N 1 3 321.387 2.179 20 0 DEADHO CC(C)C[C@@H](CNC(=O)c1ccccc1CN(C)C)[NH+](C)C ZINC000564884560 292118020 /nfs/dbraw/zinc/11/80/20/292118020.db2.gz DASCTYTWJJFPMN-INIZCTEOSA-N 1 3 305.466 2.454 20 0 DEADHO CSCC[C@@H](C)[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000191574877 145061096 /nfs/dbraw/zinc/06/10/96/145061096.db2.gz FCSPGOOQUFDIBQ-MRXNPFEDSA-N 1 3 301.544 2.476 20 0 DEADHO CSCC[C@@H](C)[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000191574877 145061098 /nfs/dbraw/zinc/06/10/98/145061098.db2.gz FCSPGOOQUFDIBQ-MRXNPFEDSA-N 1 3 301.544 2.476 20 0 DEADHO CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000247172326 145127954 /nfs/dbraw/zinc/12/79/54/145127954.db2.gz YQPWEIJVPDFYPT-JFIYKMOQSA-N 1 3 317.477 2.353 20 0 DEADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000261553199 145206786 /nfs/dbraw/zinc/20/67/86/145206786.db2.gz SHTOWLKMRGYJBP-RDJZCZTQSA-N 1 3 315.461 2.013 20 0 DEADHO C[NH2+]CCC1CCN([C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000261985391 145250458 /nfs/dbraw/zinc/25/04/58/145250458.db2.gz JPQUERUXKUWPOW-BZUAXINKSA-N 1 3 309.498 2.201 20 0 DEADHO CCN(CCC[NH+](CC)CC)C(=O)[C@@H](N)Cc1ccccc1 ZINC000318408322 145368291 /nfs/dbraw/zinc/36/82/91/145368291.db2.gz VWWUJYUSTAXVHL-KRWDZBQOSA-N 1 3 305.466 2.137 20 0 DEADHO COCCN1CC[C@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000346442693 146082724 /nfs/dbraw/zinc/08/27/24/146082724.db2.gz VHVGBNPGQSUTFX-KRWDZBQOSA-N 1 3 309.498 2.094 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000346653266 146118085 /nfs/dbraw/zinc/11/80/85/146118085.db2.gz PCKVDRUOOOFRJO-ZACQAIPSSA-N 1 3 307.482 2.336 20 0 DEADHO Cc1nc(COc2ccc(CN3C[C@H](C[NH3+])C[C@@H]3C)cc2)no1 ZINC000346686174 146123773 /nfs/dbraw/zinc/12/37/73/146123773.db2.gz TVXVHPYNAMACSW-WFASDCNBSA-N 1 3 316.405 2.126 20 0 DEADHO O=C(NCc1ccccc1)C1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346827188 146148996 /nfs/dbraw/zinc/14/89/96/146148996.db2.gz HSVINGZJAQXJJE-QGZVFWFLSA-N 1 3 315.461 2.014 20 0 DEADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3c[nH]nc3-c3ccc(F)cc3)C[C@H]12 ZINC000346834770 146150539 /nfs/dbraw/zinc/15/05/39/146150539.db2.gz SYNYRBNFYSGTQY-UHOFOFEASA-N 1 3 300.381 2.385 20 0 DEADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3c[nH]nc3-c3ccc(F)cc3)C[C@H]12 ZINC000346834772 146150689 /nfs/dbraw/zinc/15/06/89/146150689.db2.gz SYNYRBNFYSGTQY-VBNZEHGJSA-N 1 3 300.381 2.385 20 0 DEADHO COC(=O)[C@@H](C)Oc1ccc(CN2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000347094336 146192739 /nfs/dbraw/zinc/19/27/39/146192739.db2.gz HHNNJFILHLPITH-ZIAGYGMSSA-N 1 3 320.433 2.186 20 0 DEADHO C[C@H](CN(C)C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000348306960 146252585 /nfs/dbraw/zinc/25/25/85/146252585.db2.gz PPYGVNVXFKCFGK-OQIJWPOYSA-N 1 3 301.478 2.437 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000348567797 146288103 /nfs/dbraw/zinc/28/81/03/146288103.db2.gz FMGDDNXYOZQVOZ-GVDBMIGSSA-N 1 3 324.513 2.423 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000348567797 146288104 /nfs/dbraw/zinc/28/81/04/146288104.db2.gz FMGDDNXYOZQVOZ-GVDBMIGSSA-N 1 3 324.513 2.423 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000349114535 146351901 /nfs/dbraw/zinc/35/19/01/146351901.db2.gz ALKWSBMCRLAUBW-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCN1CCC(NC(=O)C[N@H+](CC(C)C)C2CCCC2)CC1 ZINC000349257972 146363551 /nfs/dbraw/zinc/36/35/51/146363551.db2.gz OMHAJCMCLHLILE-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CCN1CCC(NC(=O)C[N@@H+](CC(C)C)C2CCCC2)CC1 ZINC000349257972 146363553 /nfs/dbraw/zinc/36/35/53/146363553.db2.gz OMHAJCMCLHLILE-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO COC(=O)c1ccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000357039843 147027943 /nfs/dbraw/zinc/02/79/43/147027943.db2.gz AYTKZHHAJBYMCV-KRWDZBQOSA-N 1 3 302.418 2.295 20 0 DEADHO COC(=O)c1cccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000357061065 147033254 /nfs/dbraw/zinc/03/32/54/147033254.db2.gz ZGPVUZPRVIPJEP-QGZVFWFLSA-N 1 3 302.418 2.295 20 0 DEADHO COc1ccc(OCCN2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000357085651 147038692 /nfs/dbraw/zinc/03/86/92/147038692.db2.gz LDLJGGWPPSJAIA-INIZCTEOSA-N 1 3 304.434 2.396 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@H](C)C2C[NH2+]C2)CC1 ZINC000357235404 147069522 /nfs/dbraw/zinc/06/95/22/147069522.db2.gz CYNKLZIJNSDNCA-LSDHHAIUSA-N 1 3 315.461 2.184 20 0 DEADHO C[C@H]1C[C@H](NCCc2ncn(C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000358371851 147121913 /nfs/dbraw/zinc/12/19/13/147121913.db2.gz AYVAPQVWGCWGEM-DOTOQJQBSA-N 1 3 313.449 2.000 20 0 DEADHO C[C@H]1C[C@H](NCCc2ncn(C)n2)CC[N@H+]1Cc1ccccc1 ZINC000358371851 147121916 /nfs/dbraw/zinc/12/19/16/147121916.db2.gz AYVAPQVWGCWGEM-DOTOQJQBSA-N 1 3 313.449 2.000 20 0 DEADHO C[C@@H](NC(=O)[C@@H](C)N1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000358514766 147148804 /nfs/dbraw/zinc/14/88/04/147148804.db2.gz XOVDPITXXZYSEF-HZPDHXFCSA-N 1 3 315.461 2.328 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000358675117 147179270 /nfs/dbraw/zinc/17/92/70/147179270.db2.gz BJIROKZHKVUVQW-JOCBIADPSA-N 1 3 315.461 2.326 20 0 DEADHO C[C@H]([NH3+])c1ccc(CNC(=O)[C@H](CN)c2ccc(F)cc2)cc1 ZINC000358744318 147194986 /nfs/dbraw/zinc/19/49/86/147194986.db2.gz NSFKNPCMWDKRAT-YVEFUNNKSA-N 1 3 315.392 2.204 20 0 DEADHO CS[C@H]1CN(CCCn2ccnc2C)C[C@@H]1[NH+]1CCCC1 ZINC000358827433 147214172 /nfs/dbraw/zinc/21/41/72/147214172.db2.gz QELAQLLIADWFHA-HOTGVXAUSA-N 1 3 308.495 2.093 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000358918518 147230648 /nfs/dbraw/zinc/23/06/48/147230648.db2.gz WNFJORRSJRKREW-HOTGVXAUSA-N 1 3 303.450 2.237 20 0 DEADHO CO[C@]1(C[NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)CCOC1 ZINC000359431735 147326933 /nfs/dbraw/zinc/32/69/33/147326933.db2.gz UVJNXZWZXGWZNP-NJAFHUGGSA-N 1 3 310.482 2.425 20 0 DEADHO C[C@@H](NC(=O)[C@H]([NH3+])C1CCC1)c1nc(C2CCCCC2)no1 ZINC000565651982 292175090 /nfs/dbraw/zinc/17/50/90/292175090.db2.gz WFZOFUUZWDFMAZ-ZWNOBZJWSA-N 1 3 306.410 2.422 20 0 DEADHO CC[C@@H](C(=O)NC1CC[NH+](CC2CCCCC2)CC1)N(C)C ZINC000370679439 148043539 /nfs/dbraw/zinc/04/35/39/148043539.db2.gz QUIKKGOYOZLXNB-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H](C)C3(CCC3)C2)CC1 ZINC000371434652 148102418 /nfs/dbraw/zinc/10/24/18/148102418.db2.gz QNHWNANMMBTAFW-MRXNPFEDSA-N 1 3 321.509 2.488 20 0 DEADHO CCN(CC)Cc1cccc(NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)c1 ZINC000372431961 148207885 /nfs/dbraw/zinc/20/78/85/148207885.db2.gz QFULIJPCOXDXIQ-SJLPKXTDSA-N 1 3 301.434 2.467 20 0 DEADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000565845029 292186860 /nfs/dbraw/zinc/18/68/60/292186860.db2.gz ISUMPCOGUPVELM-XHSDSOJGSA-N 1 3 310.486 2.018 20 0 DEADHO OC1(CCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000566088754 292204015 /nfs/dbraw/zinc/20/40/15/292204015.db2.gz JLINBDQVZXVISH-CRAIPNDOSA-N 1 3 302.418 2.137 20 0 DEADHO CCN1CC[C@H]([NH2+]Cc2ccc(-n3ccnc3C)nc2)[C@H](C)C1 ZINC000126349823 401690336 /nfs/dbraw/zinc/69/03/36/401690336.db2.gz DYHRQWSMGVPVRA-PBHICJAKSA-N 1 3 313.449 2.396 20 0 DEADHO Cc1nccn1-c1ccc(C[NH2+][C@H]2C[C@H](C)N(C)C[C@@H]2C)cn1 ZINC000126378218 401691345 /nfs/dbraw/zinc/69/13/45/401691345.db2.gz RRZPMXBFGSTBGZ-ZQIUZPCESA-N 1 3 313.449 2.394 20 0 DEADHO Cc1nccn1-c1ccc(C[NH2+][C@H]2C[C@@H](C)N(C)C[C@@H]2C)cn1 ZINC000126378663 401691623 /nfs/dbraw/zinc/69/16/23/401691623.db2.gz RRZPMXBFGSTBGZ-VBQJREDUSA-N 1 3 313.449 2.394 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000129245594 401801033 /nfs/dbraw/zinc/80/10/33/401801033.db2.gz HKPRLEWIAUVEQY-CVEARBPZSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000129245594 401801036 /nfs/dbraw/zinc/80/10/36/401801036.db2.gz HKPRLEWIAUVEQY-CVEARBPZSA-N 1 3 324.513 2.136 20 0 DEADHO CC[NH+](CC)CCCNC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000350899865 404488778 /nfs/dbraw/zinc/48/87/78/404488778.db2.gz MWJPPTNQNAYCSN-HNNXBMFYSA-N 1 3 312.502 2.090 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)C[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000130688440 401837155 /nfs/dbraw/zinc/83/71/55/401837155.db2.gz SHZTZWBRMMBCON-NJAFHUGGSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H]1C[C@H](C[NH3+])CN1CCCc1nc(-c2cccs2)no1 ZINC000131618163 401853547 /nfs/dbraw/zinc/85/35/47/401853547.db2.gz FZGKIRFKANNHJO-NWDGAFQWSA-N 1 3 306.435 2.400 20 0 DEADHO CN(C)[C@H]1CCCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000116566496 401854651 /nfs/dbraw/zinc/85/46/51/401854651.db2.gz HZNWGTDZRIFGGN-GJZGRUSLSA-N 1 3 312.502 2.088 20 0 DEADHO CC(=O)NC1CCC([NH2+]CCCN2C[C@H](C)C[C@H](C)C2)CC1 ZINC000132553378 401869317 /nfs/dbraw/zinc/86/93/17/401869317.db2.gz FGTCIQPUNILRCI-BXXOZEPKSA-N 1 3 309.498 2.391 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000079945531 401884237 /nfs/dbraw/zinc/88/42/37/401884237.db2.gz UZAGUURRJDMCHJ-SJLPKXTDSA-N 1 3 317.477 2.498 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000079945531 401884241 /nfs/dbraw/zinc/88/42/41/401884241.db2.gz UZAGUURRJDMCHJ-SJLPKXTDSA-N 1 3 317.477 2.498 20 0 DEADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@@H]1CCN(C2CC2)C1 ZINC000422739318 296626448 /nfs/dbraw/zinc/62/64/48/296626448.db2.gz LBSKQTADHFRBPC-DKSSEZFCSA-N 1 3 313.445 2.069 20 0 DEADHO CN(CCC(=O)Nc1cccc(F)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000118842424 401911512 /nfs/dbraw/zinc/91/15/12/401911512.db2.gz BHNYOAZIIOJQAS-AWEZNQCLSA-N 1 3 307.413 2.428 20 0 DEADHO CN(CCC(=O)Nc1cccc(F)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842424 401911515 /nfs/dbraw/zinc/91/15/15/401911515.db2.gz BHNYOAZIIOJQAS-AWEZNQCLSA-N 1 3 307.413 2.428 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000137564224 401984609 /nfs/dbraw/zinc/98/46/09/401984609.db2.gz AYHZEEWGWJEFCZ-QGZVFWFLSA-N 1 3 307.482 2.053 20 0 DEADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cnc(C)nc2C)CC1 ZINC000121205364 402020402 /nfs/dbraw/zinc/02/04/02/402020402.db2.gz SVKFQOPRGVHKIY-LSDHHAIUSA-N 1 3 319.497 2.018 20 0 DEADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC2CCN(C)CC2)C1 ZINC000097216317 402118179 /nfs/dbraw/zinc/11/81/79/402118179.db2.gz FQFYMVVPXPZOQD-GJZGRUSLSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)CN(C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000065961403 402128033 /nfs/dbraw/zinc/12/80/33/402128033.db2.gz HOAFEMKGYBNBRQ-UHFFFAOYSA-N 1 3 317.477 2.486 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000566286970 292225341 /nfs/dbraw/zinc/22/53/41/292225341.db2.gz VALLORJYCARTMD-BPQIPLTHSA-N 1 3 315.461 2.470 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)[C@@H](C2CC2)N2CCCC2)CC1 ZINC000124083540 402162930 /nfs/dbraw/zinc/16/29/30/402162930.db2.gz SRNKTYTZOPRGKD-QGZVFWFLSA-N 1 3 307.482 2.242 20 0 DEADHO COCC[N@H+](C)CCCN[C@H](C)c1ccc2c(c1)OCCCO2 ZINC000153796586 402171439 /nfs/dbraw/zinc/17/14/39/402171439.db2.gz WSJOHIGYCULRDL-OAHLLOKOSA-N 1 3 322.449 2.467 20 0 DEADHO COCC[N@@H+](C)CCCN[C@H](C)c1ccc2c(c1)OCCCO2 ZINC000153796586 402171441 /nfs/dbraw/zinc/17/14/41/402171441.db2.gz WSJOHIGYCULRDL-OAHLLOKOSA-N 1 3 322.449 2.467 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](CO)C2)CC1 ZINC000154578903 402219367 /nfs/dbraw/zinc/21/93/67/402219367.db2.gz KPDJKFXDZOPFMM-KRWDZBQOSA-N 1 3 317.477 2.033 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](CO)C2)CC1 ZINC000154578903 402219368 /nfs/dbraw/zinc/21/93/68/402219368.db2.gz KPDJKFXDZOPFMM-KRWDZBQOSA-N 1 3 317.477 2.033 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)CN1C1CC1 ZINC000154576057 402219717 /nfs/dbraw/zinc/21/97/17/402219717.db2.gz VKHXROWXYSJUOU-CABCVRRESA-N 1 3 322.497 2.175 20 0 DEADHO COCC[NH+]1CCC(N[C@@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC000154861708 402236308 /nfs/dbraw/zinc/23/63/08/402236308.db2.gz WINLLWNEQINRTP-RCDICMHDSA-N 1 3 324.490 2.185 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H]2CCCN(C)C2)C1 ZINC000108554350 402257386 /nfs/dbraw/zinc/25/73/86/402257386.db2.gz WWLPFFDVVTUDOF-SJORKVTESA-N 1 3 324.513 2.140 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H]2CCCN(C)C2)C1 ZINC000108554350 402257387 /nfs/dbraw/zinc/25/73/87/402257387.db2.gz WWLPFFDVVTUDOF-SJORKVTESA-N 1 3 324.513 2.140 20 0 DEADHO C[C@@H](CNC(=O)NC[C@H](c1ccccc1)N(C)C)[N@H+](C)C1CC1 ZINC000105075247 402206154 /nfs/dbraw/zinc/20/61/54/402206154.db2.gz BXEGXHUSXJZJKR-WMLDXEAASA-N 1 3 318.465 2.071 20 0 DEADHO C[C@@H](CNC(=O)NC[C@H](c1ccccc1)N(C)C)[N@@H+](C)C1CC1 ZINC000105075247 402206157 /nfs/dbraw/zinc/20/61/57/402206157.db2.gz BXEGXHUSXJZJKR-WMLDXEAASA-N 1 3 318.465 2.071 20 0 DEADHO CN(CCNC(=O)CCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000155946595 402271095 /nfs/dbraw/zinc/27/10/95/402271095.db2.gz UQGZPVCYOJAJMF-UHFFFAOYSA-N 1 3 303.450 2.014 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)N(CCN(C)C)C(C)C)CC1 ZINC000157396264 402294580 /nfs/dbraw/zinc/29/45/80/402294580.db2.gz ODLYNFRFMVXMAQ-UHFFFAOYSA-N 1 3 312.502 2.088 20 0 DEADHO CC(=O)NCCCN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000158839310 402312349 /nfs/dbraw/zinc/31/23/49/402312349.db2.gz CMMXWZOQAAISPX-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CC(=O)NCCCN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158839310 402312351 /nfs/dbraw/zinc/31/23/51/402312351.db2.gz CMMXWZOQAAISPX-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CN(C)[C@H](CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1)c1ccccc1 ZINC000184980511 402314313 /nfs/dbraw/zinc/31/43/13/402314313.db2.gz OOWZQGCYCPRXSH-FGTMMUONSA-N 1 3 315.461 2.137 20 0 DEADHO CN(C)[C@H](CNC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2C1)c1ccccc1 ZINC000184980511 402314317 /nfs/dbraw/zinc/31/43/17/402314317.db2.gz OOWZQGCYCPRXSH-FGTMMUONSA-N 1 3 315.461 2.137 20 0 DEADHO COC(=O)COc1ccc([C@H](C)[NH2+]CC[C@H]2CCCN2C)cc1 ZINC000185656646 402367373 /nfs/dbraw/zinc/36/73/73/402367373.db2.gz JHMVMCMTHOZDBN-GOEBONIOSA-N 1 3 320.433 2.373 20 0 DEADHO CN(CCC(=O)Nc1cc(N)ccc1F)C[C@@H]1CCC[N@H+](C)C1 ZINC000177079738 402367501 /nfs/dbraw/zinc/36/75/01/402367501.db2.gz DAALEPNYEURCPL-CYBMUJFWSA-N 1 3 322.428 2.010 20 0 DEADHO CN(CCC(=O)Nc1cc(N)ccc1F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000177079738 402367503 /nfs/dbraw/zinc/36/75/03/402367503.db2.gz DAALEPNYEURCPL-CYBMUJFWSA-N 1 3 322.428 2.010 20 0 DEADHO CC1CCN([C@@H](CNC(=O)C(C)(C)[NH3+])c2ccccc2)CC1 ZINC000236720039 402377759 /nfs/dbraw/zinc/37/77/59/402377759.db2.gz RWUFRKYVYPBVBU-INIZCTEOSA-N 1 3 303.450 2.313 20 0 DEADHO CCCC[C@@H]([NH3+])C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000236733212 402379005 /nfs/dbraw/zinc/37/90/05/402379005.db2.gz VZRTWZKLOASADJ-QGZVFWFLSA-N 1 3 317.477 2.457 20 0 DEADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000186094447 402400739 /nfs/dbraw/zinc/40/07/39/402400739.db2.gz PQZAIAYRFYXJNN-BBWFWOEESA-N 1 3 324.513 2.375 20 0 DEADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000186117233 402403371 /nfs/dbraw/zinc/40/33/71/402403371.db2.gz UUFUFIQTEGFZJD-IKGGRYGDSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000237408635 402406895 /nfs/dbraw/zinc/40/68/95/402406895.db2.gz MJHAUPSWRPBGID-QAPCUYQASA-N 1 3 315.461 2.470 20 0 DEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)C2(N)CCCC2)CC1 ZINC000237727410 402419004 /nfs/dbraw/zinc/41/90/04/402419004.db2.gz QOBQIDALDSEPCV-UHFFFAOYSA-N 1 3 315.461 2.347 20 0 DEADHO Cc1ccccc1CN1CCC(NC(=O)C(C)(C)C[NH3+])CC1 ZINC000237726966 402419148 /nfs/dbraw/zinc/41/91/48/402419148.db2.gz URBWIIZDSLXNOY-UHFFFAOYSA-N 1 3 303.450 2.061 20 0 DEADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000177793393 402436828 /nfs/dbraw/zinc/43/68/28/402436828.db2.gz DUGUGMRMTDCXIG-DLTWYDFYSA-N 1 3 301.434 2.110 20 0 DEADHO C[C@@H]1CCCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000177793277 402437079 /nfs/dbraw/zinc/43/70/79/402437079.db2.gz ZKSDYRPMHXCYBH-WBVHZDCISA-N 1 3 303.450 2.137 20 0 DEADHO O=C(CC1CC[NH2+]CC1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000238139982 402439290 /nfs/dbraw/zinc/43/92/90/402439290.db2.gz ZTDCPPBPULKXRE-HNNXBMFYSA-N 1 3 321.490 2.391 20 0 DEADHO C[C@@H]1CCC[C@H]1CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000185924279 402389610 /nfs/dbraw/zinc/38/96/10/402389610.db2.gz GTKDBYSTQSAJNR-CVEARBPZSA-N 1 3 321.509 2.488 20 0 DEADHO CCc1ccc([C@H](CNC(=O)C2(C[NH3+])CCCC2)N(C)C)cc1 ZINC000236979693 402390231 /nfs/dbraw/zinc/39/02/31/402390231.db2.gz DBTIPMKVAIIQFY-KRWDZBQOSA-N 1 3 317.477 2.487 20 0 DEADHO CC[C@H](C)[C@@H](N)C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000237039116 402392319 /nfs/dbraw/zinc/39/23/19/402392319.db2.gz JPBBGWLOYLZNCJ-WMLDXEAASA-N 1 3 305.466 2.470 20 0 DEADHO CC(=O)NC1CCC([NH2+]Cc2ccc(CN(C)C)cc2)CC1 ZINC000237052388 402392853 /nfs/dbraw/zinc/39/28/53/402392853.db2.gz LRBFLBDTODOBIU-UHFFFAOYSA-N 1 3 303.450 2.285 20 0 DEADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)C1CC1 ZINC000177351222 402393922 /nfs/dbraw/zinc/39/39/22/402393922.db2.gz CJNUJLMAKCAZBE-HNNXBMFYSA-N 1 3 315.461 2.400 20 0 DEADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@@H](Cc1ccccc1)[NH+](CC)CC ZINC000237074815 402394482 /nfs/dbraw/zinc/39/44/82/402394482.db2.gz SNBDIHWSSXAJHW-CGTJXYLNSA-N 1 3 319.493 2.429 20 0 DEADHO C[C@H](CNC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000245201997 402452583 /nfs/dbraw/zinc/45/25/83/402452583.db2.gz OKXCMRRHMFNYLR-NQNKBUKLSA-N 1 3 309.498 2.484 20 0 DEADHO C[C@H](CNC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000245201997 402452585 /nfs/dbraw/zinc/45/25/85/402452585.db2.gz OKXCMRRHMFNYLR-NQNKBUKLSA-N 1 3 309.498 2.484 20 0 DEADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000245400644 402456000 /nfs/dbraw/zinc/45/60/00/402456000.db2.gz YLDOVLMPLNLHGM-HOTGVXAUSA-N 1 3 312.502 2.136 20 0 DEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000245400644 402456004 /nfs/dbraw/zinc/45/60/04/402456004.db2.gz YLDOVLMPLNLHGM-HOTGVXAUSA-N 1 3 312.502 2.136 20 0 DEADHO [NH3+][C@@H]1CC[C@@H](C(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000163888882 402459173 /nfs/dbraw/zinc/45/91/73/402459173.db2.gz LRTGXOGTWVVQQW-CRAIPNDOSA-N 1 3 315.461 2.416 20 0 DEADHO CN1CCC(Nc2ccccc2NC(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000166853189 402487760 /nfs/dbraw/zinc/48/77/60/402487760.db2.gz NQQHOKHEARKEBQ-HNNXBMFYSA-N 1 3 316.449 2.273 20 0 DEADHO C[C@H]([NH3+])C1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000178868544 402548405 /nfs/dbraw/zinc/54/84/05/402548405.db2.gz FLJQAYAFSYNZDK-MAUKXSAKSA-N 1 3 315.461 2.237 20 0 DEADHO C(CN(C[C@H]1CCOC1)C1CC1)C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000247102934 402557088 /nfs/dbraw/zinc/55/70/88/402557088.db2.gz VFRFBCMRNZQCDV-IAGOWNOFSA-N 1 3 322.493 2.378 20 0 DEADHO C(CN(C[C@H]1CCOC1)C1CC1)C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000247102934 402557090 /nfs/dbraw/zinc/55/70/90/402557090.db2.gz VFRFBCMRNZQCDV-IAGOWNOFSA-N 1 3 322.493 2.378 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)C[C@H](C)O1 ZINC000247139537 402558074 /nfs/dbraw/zinc/55/80/74/402558074.db2.gz WDYMDVRPHJXSFU-NNPSNHGLSA-N 1 3 311.514 2.194 20 0 DEADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(CN(C)C)cc1 ZINC000247416382 402566664 /nfs/dbraw/zinc/56/66/64/402566664.db2.gz NPIDJHUIYNMQJC-WMLDXEAASA-N 1 3 303.450 2.160 20 0 DEADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc(CN(C)C)cc1 ZINC000247416382 402566665 /nfs/dbraw/zinc/56/66/65/402566665.db2.gz NPIDJHUIYNMQJC-WMLDXEAASA-N 1 3 303.450 2.160 20 0 DEADHO C[C@@H](CCNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C)[NH+]1CCCCC1 ZINC000248493267 402593130 /nfs/dbraw/zinc/59/31/30/402593130.db2.gz PBBNJGFSNPMYGL-IKGGRYGDSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)CCN(C)C1CC1 ZINC000248586377 402597390 /nfs/dbraw/zinc/59/73/90/402597390.db2.gz VVSXHGCXBWWWKL-XHSDSOJGSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)CCN(C)C1CC1 ZINC000248586377 402597391 /nfs/dbraw/zinc/59/73/91/402597391.db2.gz VVSXHGCXBWWWKL-XHSDSOJGSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000248995969 402617330 /nfs/dbraw/zinc/61/73/30/402617330.db2.gz HUUVPJSXNAGEKN-CVYDXHPNSA-N 1 3 317.477 2.481 20 0 DEADHO C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)N1CCC(C)CC1 ZINC000252651758 402660168 /nfs/dbraw/zinc/66/01/68/402660168.db2.gz IRYHKUTUWZJTPK-ZACQAIPSSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)N1CCC(C)CC1 ZINC000252651758 402660171 /nfs/dbraw/zinc/66/01/71/402660171.db2.gz IRYHKUTUWZJTPK-ZACQAIPSSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000192110716 402711740 /nfs/dbraw/zinc/71/17/40/402711740.db2.gz JJWRLCVGJKNYMH-HUUCEWRRSA-N 1 3 303.450 2.093 20 0 DEADHO COCCC[C@H](C)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000182264378 402677279 /nfs/dbraw/zinc/67/72/79/402677279.db2.gz SBNINMMZXSJPDA-YJBOKZPZSA-N 1 3 306.450 2.158 20 0 DEADHO CC(C)N1CCN(CCC[N@H+](C)CCC2CCOCC2)CC1 ZINC000192757236 402748077 /nfs/dbraw/zinc/74/80/77/402748077.db2.gz YCXABASNCOINII-UHFFFAOYSA-N 1 3 311.514 2.151 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+](C)CCC2CCOCC2)CC1 ZINC000192757236 402748080 /nfs/dbraw/zinc/74/80/80/402748080.db2.gz YCXABASNCOINII-UHFFFAOYSA-N 1 3 311.514 2.151 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C[C@H](N)c2ccccc2)C1 ZINC000263308515 402756737 /nfs/dbraw/zinc/75/67/37/402756737.db2.gz FTTMIMMAQAVAGU-RDJZCZTQSA-N 1 3 303.450 2.171 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C[C@H](N)c2ccccc2)C1 ZINC000263308515 402756740 /nfs/dbraw/zinc/75/67/40/402756740.db2.gz FTTMIMMAQAVAGU-RDJZCZTQSA-N 1 3 303.450 2.171 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)NCCC[NH+]1CCCCC1 ZINC000193203179 402767783 /nfs/dbraw/zinc/76/77/83/402767783.db2.gz OHYZDQAQCUAJDP-INIZCTEOSA-N 1 3 310.486 2.036 20 0 DEADHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1cncc(F)c1 ZINC000271457420 402872992 /nfs/dbraw/zinc/87/29/92/402872992.db2.gz FOERRWVGWJTMTE-AFAVFJNCSA-N 1 3 307.413 2.249 20 0 DEADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2cnccc2C)CC1 ZINC000271519621 402878675 /nfs/dbraw/zinc/87/86/75/402878675.db2.gz VOJHJDGZDBPQDA-KRWDZBQOSA-N 1 3 304.482 2.458 20 0 DEADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@@]2(COC)CCCN2)C12CCCCC2 ZINC000423417485 286284176 /nfs/dbraw/zinc/28/41/76/286284176.db2.gz SLQSLQYGEUNHSW-BRWVUGGUSA-N 1 3 310.482 2.473 20 0 DEADHO C[NH+]1CCC(O)(CNCc2csc(Br)c2)CC1 ZINC000265906398 402961025 /nfs/dbraw/zinc/96/10/25/402961025.db2.gz WJURAVWGFVVOMU-UHFFFAOYSA-N 1 3 319.268 2.057 20 0 DEADHO CCC[C@H](N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000272412265 402933733 /nfs/dbraw/zinc/93/37/33/402933733.db2.gz FQOJYQHJLVQHAS-YOEHRIQHSA-N 1 3 319.449 2.473 20 0 DEADHO CCC[C@H](N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000272412265 402933734 /nfs/dbraw/zinc/93/37/34/402933734.db2.gz FQOJYQHJLVQHAS-YOEHRIQHSA-N 1 3 319.449 2.473 20 0 DEADHO C[C@H]([NH2+]Cc1cc(=O)c(O)co1)[C@H]1CCCN(C2CCC2)C1 ZINC000273279549 402990390 /nfs/dbraw/zinc/99/03/90/402990390.db2.gz NPUMNVACBAULEX-STQMWFEESA-N 1 3 306.406 2.088 20 0 DEADHO CN(C(=O)[C@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)C1)c1ccccc1 ZINC000280492515 403005538 /nfs/dbraw/zinc/00/55/38/403005538.db2.gz ARVVISWTJBHUJD-IRXDYDNUSA-N 1 3 315.461 2.456 20 0 DEADHO CN(C(=O)[C@H]1CCN(CC[C@@H]2CCC[N@H+]2C)C1)c1ccccc1 ZINC000280492515 403005539 /nfs/dbraw/zinc/00/55/39/403005539.db2.gz ARVVISWTJBHUJD-IRXDYDNUSA-N 1 3 315.461 2.456 20 0 DEADHO Cc1ccc([C@H](CN[C@H]2CCCC[C@H]2C[NH3+])N2CCOCC2)o1 ZINC000422797463 292256376 /nfs/dbraw/zinc/25/63/76/292256376.db2.gz MPMBVDZSYUDONJ-ULQDDVLXSA-N 1 3 321.465 2.068 20 0 DEADHO CN1CCC(O)(C[NH2+]Cc2ccc(Cl)c3cccnc23)CC1 ZINC000268457159 403085213 /nfs/dbraw/zinc/08/52/13/403085213.db2.gz YKLHJMSSOLRSLY-UHFFFAOYSA-N 1 3 319.836 2.435 20 0 DEADHO COC[C@H](C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)OC ZINC000274814353 403090410 /nfs/dbraw/zinc/09/04/10/403090410.db2.gz YPXUJUXFFJJNRL-SZMVWBNQSA-N 1 3 306.450 2.148 20 0 DEADHO COC[C@H](CN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC000274814353 403090412 /nfs/dbraw/zinc/09/04/12/403090412.db2.gz YPXUJUXFFJJNRL-SZMVWBNQSA-N 1 3 306.450 2.148 20 0 DEADHO COC[C@H](CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)OC ZINC000274814353 403090413 /nfs/dbraw/zinc/09/04/13/403090413.db2.gz YPXUJUXFFJJNRL-SZMVWBNQSA-N 1 3 306.450 2.148 20 0 DEADHO CN1CCC(O)(C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000275680820 403114943 /nfs/dbraw/zinc/11/49/43/403114943.db2.gz ZXULKOHNYFPJFM-ROUUACIJSA-N 1 3 302.462 2.444 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc3c(c2)COC3)CC1 ZINC000268832635 403119202 /nfs/dbraw/zinc/11/92/02/403119202.db2.gz RKEPSVBFHFYYDW-INIZCTEOSA-N 1 3 317.477 2.395 20 0 DEADHO C[C@H](NCC1([S@](C)=O)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000282145956 403126904 /nfs/dbraw/zinc/12/69/04/403126904.db2.gz CJZUULKFPNXRAP-FPTDNZKUSA-N 1 3 324.490 2.189 20 0 DEADHO CC[C@H](N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000269263067 403125524 /nfs/dbraw/zinc/12/55/24/403125524.db2.gz NYNVFRMFDIYVBX-CJNGLKHVSA-N 1 3 305.422 2.083 20 0 DEADHO CC[C@H](N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000269263067 403125525 /nfs/dbraw/zinc/12/55/25/403125525.db2.gz NYNVFRMFDIYVBX-CJNGLKHVSA-N 1 3 305.422 2.083 20 0 DEADHO CC(C)N1CCN(CCC[N@H+](C)[C@@H](CO)c2ccccc2)CC1 ZINC000283322216 403189615 /nfs/dbraw/zinc/18/96/15/403189615.db2.gz OSPMQMPWHKUCRZ-IBGZPJMESA-N 1 3 319.493 2.068 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+](C)[C@@H](CO)c2ccccc2)CC1 ZINC000283322216 403189617 /nfs/dbraw/zinc/18/96/17/403189617.db2.gz OSPMQMPWHKUCRZ-IBGZPJMESA-N 1 3 319.493 2.068 20 0 DEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000292082390 403286254 /nfs/dbraw/zinc/28/62/54/403286254.db2.gz MHJLLMFYUKGZGP-QGZVFWFLSA-N 1 3 321.440 2.248 20 0 DEADHO COC(C[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1)OC ZINC000285727343 403366395 /nfs/dbraw/zinc/36/63/95/403366395.db2.gz XIJKEUAJWVGPOT-SFHVURJKSA-N 1 3 304.434 2.203 20 0 DEADHO COC(C[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1)OC ZINC000285727343 403366400 /nfs/dbraw/zinc/36/64/00/403366400.db2.gz XIJKEUAJWVGPOT-SFHVURJKSA-N 1 3 304.434 2.203 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000342700571 403313881 /nfs/dbraw/zinc/31/38/81/403313881.db2.gz IECOJRCYFLPWCL-SZMVWBNQSA-N 1 3 315.461 2.328 20 0 DEADHO COC(=O)[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC000339058393 403338523 /nfs/dbraw/zinc/33/85/23/403338523.db2.gz CRJSXMNJZBXQOY-OKZBNKHCSA-N 1 3 316.445 2.359 20 0 DEADHO COC(=O)[C@@H]1CN(CC[C@@H]2CCC[N@H+]2C)C[C@H]1c1ccccc1 ZINC000339058393 403338524 /nfs/dbraw/zinc/33/85/24/403338524.db2.gz CRJSXMNJZBXQOY-OKZBNKHCSA-N 1 3 316.445 2.359 20 0 DEADHO COC(=O)[C@@H]1C[N@H+](CC[C@@H]2CCCN2C)C[C@H]1c1ccccc1 ZINC000339058393 403338525 /nfs/dbraw/zinc/33/85/25/403338525.db2.gz CRJSXMNJZBXQOY-OKZBNKHCSA-N 1 3 316.445 2.359 20 0 DEADHO COC(=O)[C@@H]1C[N@@H+](CC[C@@H]2CCCN2C)C[C@H]1c1ccccc1 ZINC000339058393 403338528 /nfs/dbraw/zinc/33/85/28/403338528.db2.gz CRJSXMNJZBXQOY-OKZBNKHCSA-N 1 3 316.445 2.359 20 0 DEADHO Cn1cc2c(n1)CCC[C@H]2[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000331542949 403412308 /nfs/dbraw/zinc/41/23/08/403412308.db2.gz IFYQBSHNCAIQFB-DZGCQCFKSA-N 1 3 319.453 2.024 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)N(CC)CC ZINC000345682358 403434565 /nfs/dbraw/zinc/43/45/65/403434565.db2.gz XFFICCVBYLXCAA-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)N(CC)CC ZINC000345682358 403434568 /nfs/dbraw/zinc/43/45/68/403434568.db2.gz XFFICCVBYLXCAA-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H](N)CC(F)F)C1 ZINC000345704546 403445326 /nfs/dbraw/zinc/44/53/26/403445326.db2.gz DSXJJWQWQVFQBM-RDBSUJKOSA-N 1 3 317.424 2.082 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H](N)CC(F)F)C1 ZINC000345704546 403445327 /nfs/dbraw/zinc/44/53/27/403445327.db2.gz DSXJJWQWQVFQBM-RDBSUJKOSA-N 1 3 317.424 2.082 20 0 DEADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@H](N)CC(F)F)c1 ZINC000345710187 403448820 /nfs/dbraw/zinc/44/88/20/403448820.db2.gz KNIKMWDSICUSPI-CQSZACIVSA-N 1 3 313.392 2.127 20 0 DEADHO CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CCCN(C)[C@H]2C)CC1 ZINC000345735830 403461701 /nfs/dbraw/zinc/46/17/01/403461701.db2.gz DBZNWSKLZBYKFL-RDJZCZTQSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H]1[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CCCN1C ZINC000345746643 403466921 /nfs/dbraw/zinc/46/69/21/403466921.db2.gz LPUBUZWZRNTFKT-IXDOHACOSA-N 1 3 322.497 2.129 20 0 DEADHO CN(C)CCN(Cc1ccccc1F)C(=O)CC1CC[NH2+]CC1 ZINC000286295805 403493625 /nfs/dbraw/zinc/49/36/25/403493625.db2.gz XEWXVEOOIJLGMI-UHFFFAOYSA-N 1 3 321.440 2.106 20 0 DEADHO C[C@H]1C[C@@H](NCc2cccc(N3CCOCC3)c2)CC[N@@H+]1C ZINC000293628274 403522638 /nfs/dbraw/zinc/52/26/38/403522638.db2.gz GHHGKUFPCSERAE-RDJZCZTQSA-N 1 3 303.450 2.096 20 0 DEADHO C[C@H]1C[C@@H](NCc2cccc(N3CCOCC3)c2)CC[N@H+]1C ZINC000293628274 403522641 /nfs/dbraw/zinc/52/26/41/403522641.db2.gz GHHGKUFPCSERAE-RDJZCZTQSA-N 1 3 303.450 2.096 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)NCC1=CCN(C)CC1)CC(C)C ZINC000343360204 403554487 /nfs/dbraw/zinc/55/44/87/403554487.db2.gz MBDDGWUSCSXWSL-KRWDZBQOSA-N 1 3 324.513 2.304 20 0 DEADHO C[C@H](C[NH2+][C@@H](C)[C@H](c1ccccc1)N1CCOCC1)CN(C)C ZINC000293830297 403574780 /nfs/dbraw/zinc/57/47/80/403574780.db2.gz WKULSZNHNGISCA-ZIFCJYIRSA-N 1 3 319.493 2.236 20 0 DEADHO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)CN2[C@H](C)CC[C@@H]2C)C[C@@H](C)C1 ZINC000346230223 403579917 /nfs/dbraw/zinc/57/99/17/403579917.db2.gz MGHVYCGWFVISIE-VIQHNZTISA-N 1 3 307.482 2.048 20 0 DEADHO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)CN2[C@H](C)CC[C@@H]2C)C[C@@H](C)C1 ZINC000346230223 403579919 /nfs/dbraw/zinc/57/99/19/403579919.db2.gz MGHVYCGWFVISIE-VIQHNZTISA-N 1 3 307.482 2.048 20 0 DEADHO [NH3+][C@@H](CC(=O)Nc1ccc2c(c1)CNCC2)Cc1ccccc1 ZINC000567030789 292284172 /nfs/dbraw/zinc/28/41/72/292284172.db2.gz DFUMBYATRHIHQM-QGZVFWFLSA-N 1 3 309.413 2.231 20 0 DEADHO C[C@H]([NH2+]Cc1ccnc(OCCN(C)C)c1)[C@@]1(C)CCCO1 ZINC000340521637 403636127 /nfs/dbraw/zinc/63/61/27/403636127.db2.gz VTDZUTHYQXPGCC-WMLDXEAASA-N 1 3 307.438 2.069 20 0 DEADHO C[C@H]1[C@@H](NC(=O)NCc2ccc(C[NH+](C)C)cc2)CCCN1C ZINC000343588917 403652894 /nfs/dbraw/zinc/65/28/94/403652894.db2.gz GKLKMWNGYRXHSZ-YOEHRIQHSA-N 1 3 318.465 2.030 20 0 DEADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2cccc3c2OCO3)CC1 ZINC000333122298 403671403 /nfs/dbraw/zinc/67/14/03/403671403.db2.gz IJMMHMLFVFRAEP-DOTOQJQBSA-N 1 3 318.417 2.134 20 0 DEADHO CCN1CCN(CCCC[NH2+][C@H](C)Cc2ccc(O)cc2)CC1 ZINC000294229828 403678238 /nfs/dbraw/zinc/67/82/38/403678238.db2.gz MHHNTYUWJYCQQE-QGZVFWFLSA-N 1 3 319.493 2.331 20 0 DEADHO CC1(C)CCCN[C@@H]1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000333153939 403679877 /nfs/dbraw/zinc/67/98/77/403679877.db2.gz FNKWLLQJYSWLDD-OAHLLOKOSA-N 1 3 305.397 2.188 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000347386396 403689814 /nfs/dbraw/zinc/68/98/14/403689814.db2.gz YGADVKHHYFMHGK-INMHGKMJSA-N 1 3 307.482 2.050 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000347386396 403689818 /nfs/dbraw/zinc/68/98/18/403689818.db2.gz YGADVKHHYFMHGK-INMHGKMJSA-N 1 3 307.482 2.050 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000340903757 403692493 /nfs/dbraw/zinc/69/24/93/403692493.db2.gz SNKOFAKOBZSRLN-RYQLBKOJSA-N 1 3 317.477 2.383 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000340903757 403692495 /nfs/dbraw/zinc/69/24/95/403692495.db2.gz SNKOFAKOBZSRLN-RYQLBKOJSA-N 1 3 317.477 2.383 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000340903755 403692571 /nfs/dbraw/zinc/69/25/71/403692571.db2.gz SNKOFAKOBZSRLN-KBAYOESNSA-N 1 3 317.477 2.383 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000340903755 403692572 /nfs/dbraw/zinc/69/25/72/403692572.db2.gz SNKOFAKOBZSRLN-KBAYOESNSA-N 1 3 317.477 2.383 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000340956932 403712527 /nfs/dbraw/zinc/71/25/27/403712527.db2.gz OGTAVHABWRUJQQ-IXDOHACOSA-N 1 3 324.513 2.138 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000340956932 403712530 /nfs/dbraw/zinc/71/25/30/403712530.db2.gz OGTAVHABWRUJQQ-IXDOHACOSA-N 1 3 324.513 2.138 20 0 DEADHO [NH3+][C@H]1CCCC[C@H]1CC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000295138466 403771492 /nfs/dbraw/zinc/77/14/92/403771492.db2.gz ZKARXDTZIRRQKF-WFASDCNBSA-N 1 3 303.406 2.015 20 0 DEADHO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)CNC2 ZINC000347544375 403747361 /nfs/dbraw/zinc/74/73/61/403747361.db2.gz ZUCOIPTZCFKTKZ-LJQANCHMSA-N 1 3 323.440 2.193 20 0 DEADHO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)CNC2 ZINC000347544374 403747618 /nfs/dbraw/zinc/74/76/18/403747618.db2.gz ZUCOIPTZCFKTKZ-IBGZPJMESA-N 1 3 323.440 2.193 20 0 DEADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccc2c(c1)CNCCO2 ZINC000295142175 403772520 /nfs/dbraw/zinc/77/25/20/403772520.db2.gz ZWXZCFJLRUKJQX-LQDVMPOASA-N 1 3 315.417 2.028 20 0 DEADHO C[C@H]1CN(CCC2CC[NH+](CCc3cn[nH]c3)CC2)C[C@H](C)O1 ZINC000347732182 403832439 /nfs/dbraw/zinc/83/24/39/403832439.db2.gz FANHQCGWTZKBIP-HOTGVXAUSA-N 1 3 320.481 2.164 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)CNC3)[C@@H](C)C1 ZINC000347660609 403795569 /nfs/dbraw/zinc/79/55/69/403795569.db2.gz ZWBOSUFVHWFFJM-GUYCJALGSA-N 1 3 301.434 2.092 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)CNC3)[C@@H](C)C1 ZINC000347660609 403795572 /nfs/dbraw/zinc/79/55/72/403795572.db2.gz ZWBOSUFVHWFFJM-GUYCJALGSA-N 1 3 301.434 2.092 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000341149709 403797435 /nfs/dbraw/zinc/79/74/35/403797435.db2.gz XZWAQKRHOKXNNS-JKSUJKDBSA-N 1 3 312.502 2.280 20 0 DEADHO O=C(NCCC[NH+]1CCCCCC1)c1ccc2c(c1)CNC2 ZINC000347674328 403801023 /nfs/dbraw/zinc/80/10/23/403801023.db2.gz RBUWVZKAHQLYIK-UHFFFAOYSA-N 1 3 301.434 2.286 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCCCC1 ZINC000354594761 403895770 /nfs/dbraw/zinc/89/57/70/403895770.db2.gz FZBTUDYFVJCRKB-GVDBMIGSSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCCCC1 ZINC000354594761 403895778 /nfs/dbraw/zinc/89/57/78/403895778.db2.gz FZBTUDYFVJCRKB-GVDBMIGSSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCCN(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000341310074 403901556 /nfs/dbraw/zinc/90/15/56/403901556.db2.gz XFGPVRJPFCSIDS-KRWDZBQOSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000341239554 403857382 /nfs/dbraw/zinc/85/73/82/403857382.db2.gz MGDRFARZAJZXRV-HOCLYGCPSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1cccc(OCCN(C)C)c1 ZINC000305178052 403863496 /nfs/dbraw/zinc/86/34/96/403863496.db2.gz VQTSAWVOBYWUMZ-PBHICJAKSA-N 1 3 324.490 2.146 20 0 DEADHO CN1CCN(CC2(C)CC[NH+](CCc3cncs3)CC2)CC1 ZINC000411529151 403881753 /nfs/dbraw/zinc/88/17/53/403881753.db2.gz UEHVFMOMZPXERV-UHFFFAOYSA-N 1 3 322.522 2.035 20 0 DEADHO O[C@H](C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1)C(F)(F)F ZINC000309673365 403961601 /nfs/dbraw/zinc/96/16/01/403961601.db2.gz USCVLNQLMPCHCK-ZIAGYGMSSA-N 1 3 302.340 2.021 20 0 DEADHO CCC[N@H+](CCN1CCN(CC)CC1)[C@H](C)c1cccnc1 ZINC000344145386 403939260 /nfs/dbraw/zinc/93/92/60/403939260.db2.gz PBFUEYSWWLJKGX-QGZVFWFLSA-N 1 3 304.482 2.492 20 0 DEADHO CCC[N@@H+](CCN1CCN(CC)CC1)[C@H](C)c1cccnc1 ZINC000344145386 403939269 /nfs/dbraw/zinc/93/92/69/403939269.db2.gz PBFUEYSWWLJKGX-QGZVFWFLSA-N 1 3 304.482 2.492 20 0 DEADHO C[C@@H]1CCNC(=O)[C@@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411701399 403943772 /nfs/dbraw/zinc/94/37/72/403943772.db2.gz ZTELVWBCIVWAQS-CRAIPNDOSA-N 1 3 315.461 2.287 20 0 DEADHO C[C@H](CNC(=O)NCCN1CCCCC1)[N@@H+]1CCCC[C@H]1C ZINC000337363394 403982659 /nfs/dbraw/zinc/98/26/59/403982659.db2.gz JRBRIFPBBUPBCV-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@H](CNC(=O)NCCN1CCCCC1)[N@H+]1CCCC[C@H]1C ZINC000337363394 403982665 /nfs/dbraw/zinc/98/26/65/403982665.db2.gz JRBRIFPBBUPBCV-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@@H](CNC(=O)NCCN1CCC(C)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000337367182 403982868 /nfs/dbraw/zinc/98/28/68/403982868.db2.gz MLSHDACAIQCQIW-IRXDYDNUSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H](CNC(=O)NCCN1CCC(C)CC1)[N@H+]1CCCC[C@@H]1C ZINC000337367182 403982873 /nfs/dbraw/zinc/98/28/73/403982873.db2.gz MLSHDACAIQCQIW-IRXDYDNUSA-N 1 3 324.513 2.280 20 0 DEADHO CCCN1CC[C@@H](C[NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000341509451 404007148 /nfs/dbraw/zinc/00/71/48/404007148.db2.gz LSZXQQNEURILPH-KRWDZBQOSA-N 1 3 316.493 2.368 20 0 DEADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000362969281 404028096 /nfs/dbraw/zinc/02/80/96/404028096.db2.gz KFXLCOIVRWIBDX-NVXWUHKLSA-N 1 3 317.477 2.211 20 0 DEADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000362969281 404028104 /nfs/dbraw/zinc/02/81/04/404028104.db2.gz KFXLCOIVRWIBDX-NVXWUHKLSA-N 1 3 317.477 2.211 20 0 DEADHO CSC1(CNCc2ccncc2OCCC[NH+](C)C)CC1 ZINC000290117125 404049113 /nfs/dbraw/zinc/04/91/13/404049113.db2.gz IOQCHFBHLRVQGB-UHFFFAOYSA-N 1 3 309.479 2.397 20 0 DEADHO CCC[NH+](CCC)CCCN[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000351979065 404052107 /nfs/dbraw/zinc/05/21/07/404052107.db2.gz HJOWANRSRJQFJB-CVEARBPZSA-N 1 3 318.527 2.444 20 0 DEADHO CN(C)CCOc1cccc(C[NH2+]C[C@@H](O)CC(F)(F)F)c1 ZINC000567261842 292301422 /nfs/dbraw/zinc/30/14/22/292301422.db2.gz QXRIJLMRLVQANP-ZDUSSCGKSA-N 1 3 320.355 2.030 20 0 DEADHO CC[N@H+](C)CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000352168474 404188643 /nfs/dbraw/zinc/18/86/43/404188643.db2.gz VMXJRHWUHWIHQK-RDJZCZTQSA-N 1 3 320.481 2.237 20 0 DEADHO CC[N@@H+](C)CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000352168474 404188650 /nfs/dbraw/zinc/18/86/50/404188650.db2.gz VMXJRHWUHWIHQK-RDJZCZTQSA-N 1 3 320.481 2.237 20 0 DEADHO CCC[NH2+][C@@H](C)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000296412563 404236369 /nfs/dbraw/zinc/23/63/69/404236369.db2.gz MAXYLLLQJULVHY-INIZCTEOSA-N 1 3 317.477 2.198 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000344585262 404240993 /nfs/dbraw/zinc/24/09/93/404240993.db2.gz SPMRQMBJAWBBQS-HLLBOEOZSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H]1CC[C@H](C)[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000414180451 296704024 /nfs/dbraw/zinc/70/40/24/296704024.db2.gz BCHLDHDOOGTRBK-FGTMMUONSA-N 1 3 323.525 2.197 20 0 DEADHO Cc1ccc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)o1 ZINC000369891779 404264234 /nfs/dbraw/zinc/26/42/34/404264234.db2.gz GYABYRPLEGDXSV-UHFFFAOYSA-N 1 3 305.466 2.438 20 0 DEADHO C[C@H]([NH2+]C1CC1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000296508749 404282432 /nfs/dbraw/zinc/28/24/32/404282432.db2.gz RKRBJUXDFMGFJA-YOEHRIQHSA-N 1 3 301.434 2.080 20 0 DEADHO COCCOc1ccc(CN2CCC(C[NH+](C)C)CC2)cc1 ZINC000350150337 404331580 /nfs/dbraw/zinc/33/15/80/404331580.db2.gz VXEILZIKGMAGFF-UHFFFAOYSA-N 1 3 306.450 2.485 20 0 DEADHO CCN(CCNC(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1)C1CC1 ZINC000338482554 404371953 /nfs/dbraw/zinc/37/19/53/404371953.db2.gz FDZJNCRWKQEPKQ-HRCADAONSA-N 1 3 324.513 2.136 20 0 DEADHO CC[C@H](C(N)=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291436497 404384451 /nfs/dbraw/zinc/38/44/51/404384451.db2.gz JYTAGJQPVVZCMX-QGZVFWFLSA-N 1 3 315.461 2.238 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000370679134 404401682 /nfs/dbraw/zinc/40/16/82/404401682.db2.gz LDAPNDZPTNWOSD-QZTJIDSGSA-N 1 3 317.477 2.355 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000370679134 404401687 /nfs/dbraw/zinc/40/16/87/404401687.db2.gz LDAPNDZPTNWOSD-QZTJIDSGSA-N 1 3 317.477 2.355 20 0 DEADHO C[C@@H]([NH2+]CC1(N)CCC1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000342151345 404404868 /nfs/dbraw/zinc/40/48/68/404404868.db2.gz XTFAEURDCHARCH-CHWSQXEVSA-N 1 3 307.463 2.271 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@H]2CCCCC[NH2+]2)N(C)C)cc1 ZINC000372485137 404500606 /nfs/dbraw/zinc/50/06/06/404500606.db2.gz POIJZGGQNQRVHD-IAGOWNOFSA-N 1 3 303.450 2.246 20 0 DEADHO C[C@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1[C@H](C)CC[C@@H]1C ZINC000342464883 404596046 /nfs/dbraw/zinc/59/60/46/404596046.db2.gz PBSLMQOMKBYFMM-AQPDWMJNSA-N 1 3 307.482 2.331 20 0 DEADHO C[C@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1[C@H](C)CC[C@@H]1C ZINC000342464883 404596051 /nfs/dbraw/zinc/59/60/51/404596051.db2.gz PBSLMQOMKBYFMM-AQPDWMJNSA-N 1 3 307.482 2.331 20 0 DEADHO CC(C)[C@@H](N)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000291945459 404593267 /nfs/dbraw/zinc/59/32/67/404593267.db2.gz DGWOQGHBFPQIMC-QGZVFWFLSA-N 1 3 318.465 2.130 20 0 DEADHO COc1ccc([C@H](CO)CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000414190583 404541690 /nfs/dbraw/zinc/54/16/90/404541690.db2.gz RVGIPFDEPWLWDP-JSSFPYSZSA-N 1 3 306.450 2.089 20 0 DEADHO COc1ccc([C@H](CO)CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000414190583 404541701 /nfs/dbraw/zinc/54/17/01/404541701.db2.gz RVGIPFDEPWLWDP-JSSFPYSZSA-N 1 3 306.450 2.089 20 0 DEADHO C[C@@H]1CCC[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)[C@@H]1C ZINC000414200323 404547218 /nfs/dbraw/zinc/54/72/18/404547218.db2.gz RTJNISRPBKSNMG-KZNAEPCWSA-N 1 3 323.525 2.197 20 0 DEADHO CC[C@@H]1CCC[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000414207317 404548557 /nfs/dbraw/zinc/54/85/57/404548557.db2.gz ZLNVFLCPPLESMS-QZTJIDSGSA-N 1 3 323.525 2.341 20 0 DEADHO C[C@H](CNC(=O)N(C)CC1CC[NH+](C)CC1)N1CCCC[C@H]1C ZINC000351347386 404557244 /nfs/dbraw/zinc/55/72/44/404557244.db2.gz AHXJGOPPDZXAHN-HZPDHXFCSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H]1CCCC[C@H]1C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414479300 404647481 /nfs/dbraw/zinc/64/74/81/404647481.db2.gz HGIAGVWWCKOIAN-ROUUACIJSA-N 1 3 323.525 2.199 20 0 DEADHO CN(C)[C@@H]1CCC[N@H+](CCC(=O)NCC2CCCCC2)CC1 ZINC000365400836 404648645 /nfs/dbraw/zinc/64/86/45/404648645.db2.gz BPAWKAYCCKYILL-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)NCC2CCCCC2)CC1 ZINC000365400836 404648649 /nfs/dbraw/zinc/64/86/49/404648649.db2.gz BPAWKAYCCKYILL-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1CN(C)C[C@H]1c1ccccc1 ZINC000351482946 404596755 /nfs/dbraw/zinc/59/67/55/404596755.db2.gz DJSJRYTUOZTROM-MVJTYMMSSA-N 1 3 315.461 2.073 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1CN(C)C[C@H]1c1ccccc1 ZINC000351482946 404596760 /nfs/dbraw/zinc/59/67/60/404596760.db2.gz DJSJRYTUOZTROM-MVJTYMMSSA-N 1 3 315.461 2.073 20 0 DEADHO Cc1nccn1C[C@H](C)C[NH2+]Cc1ncc(CN(C)C)s1 ZINC000352759207 404598155 /nfs/dbraw/zinc/59/81/55/404598155.db2.gz JFACCEUWSXEMGB-GFCCVEGCSA-N 1 3 307.467 2.136 20 0 DEADHO c1ccc2c(c1)OC[C@H](CCN[C@H]1CC[N@@H+]3CCC[C@H]3C1)O2 ZINC000414384324 404605875 /nfs/dbraw/zinc/60/58/75/404605875.db2.gz VLTACPWWSQOERB-JYJNAYRXSA-N 1 3 302.418 2.433 20 0 DEADHO c1ccc2c(c1)OC[C@H](CCN[C@H]1CC[N@H+]3CCC[C@H]3C1)O2 ZINC000414384324 404605881 /nfs/dbraw/zinc/60/58/81/404605881.db2.gz VLTACPWWSQOERB-JYJNAYRXSA-N 1 3 302.418 2.433 20 0 DEADHO C[C@H](CCN(C)C)[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000345199941 404608753 /nfs/dbraw/zinc/60/87/53/404608753.db2.gz GCHJYHQUTVYTAD-CHWSQXEVSA-N 1 3 313.467 2.049 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000365526281 404682819 /nfs/dbraw/zinc/68/28/19/404682819.db2.gz IZOJIMQLPDTSES-GOSISDBHSA-N 1 3 315.461 2.449 20 0 DEADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H](CO)[C@@H]2CCCOC2)CC1 ZINC000414537979 404670749 /nfs/dbraw/zinc/67/07/49/404670749.db2.gz AHJRVCWJLBGUNS-FPAYPSAMSA-N 1 3 324.509 2.407 20 0 DEADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H](CO)[C@@H]2CCCOC2)CC1 ZINC000414537979 404670755 /nfs/dbraw/zinc/67/07/55/404670755.db2.gz AHJRVCWJLBGUNS-FPAYPSAMSA-N 1 3 324.509 2.407 20 0 DEADHO C[C@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](c1ccccc1)N(C)C ZINC000365612727 404700011 /nfs/dbraw/zinc/70/00/11/404700011.db2.gz YUXAPKDVXMZKEL-DOTOQJQBSA-N 1 3 315.461 2.422 20 0 DEADHO C[C@H](CC1CCOCC1)C[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000414773577 404730623 /nfs/dbraw/zinc/73/06/23/404730623.db2.gz DNUFASVAUIFMAX-NVXWUHKLSA-N 1 3 310.482 2.127 20 0 DEADHO C[C@H](CC1CCOCC1)C[N@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000414773577 404730624 /nfs/dbraw/zinc/73/06/24/404730624.db2.gz DNUFASVAUIFMAX-NVXWUHKLSA-N 1 3 310.482 2.127 20 0 DEADHO CCOc1ccccc1CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414793877 404737978 /nfs/dbraw/zinc/73/79/78/404737978.db2.gz UQRTZLNKBOYKOT-AEFFLSMTSA-N 1 3 304.434 2.414 20 0 DEADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000357867556 404746577 /nfs/dbraw/zinc/74/65/77/404746577.db2.gz KDXGPXWHMUJFFR-CRAIPNDOSA-N 1 3 302.466 2.228 20 0 DEADHO C[C@H](Cn1cc(Br)cn1)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414848264 404748138 /nfs/dbraw/zinc/74/81/38/404748138.db2.gz GFXRJZRKDGLZSB-GRYCIOLGSA-N 1 3 315.259 2.012 20 0 DEADHO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000414848264 404748140 /nfs/dbraw/zinc/74/81/40/404748140.db2.gz GFXRJZRKDGLZSB-GRYCIOLGSA-N 1 3 315.259 2.012 20 0 DEADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccccc1CN(C)C ZINC000366081206 404752854 /nfs/dbraw/zinc/75/28/54/404752854.db2.gz AWAPPZXYGXQLSI-DOTOQJQBSA-N 1 3 315.461 2.447 20 0 DEADHO CCCN1CCC[C@@H]1CNC(=O)N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000358287345 404759401 /nfs/dbraw/zinc/75/94/01/404759401.db2.gz CAINTMHUMKYTPU-IAGOWNOFSA-N 1 3 324.513 2.234 20 0 DEADHO CCCN1CCC[C@@H]1CNC(=O)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000358287345 404759403 /nfs/dbraw/zinc/75/94/03/404759403.db2.gz CAINTMHUMKYTPU-IAGOWNOFSA-N 1 3 324.513 2.234 20 0 DEADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC[C@@H]2CCCOC2)cc1 ZINC000414891658 404760504 /nfs/dbraw/zinc/76/05/04/404760504.db2.gz VZCCZFRUHUWTOK-WBAXXEDZSA-N 1 3 304.434 2.157 20 0 DEADHO CSC1(CNCc2nc3ccccc3n2C)CC[NH+](C)CC1 ZINC000353214984 404772360 /nfs/dbraw/zinc/77/23/60/404772360.db2.gz VMSXGEYPOCSCKY-UHFFFAOYSA-N 1 3 318.490 2.490 20 0 DEADHO CC[C@H]1CCCCN1C(=O)[C@@H](C)N1CCC2(C1)CC[NH2+]CC2 ZINC000358507097 404765357 /nfs/dbraw/zinc/76/53/57/404765357.db2.gz NCCZCENQCJFRRV-CVEARBPZSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1C[C@H](CN2CCN(CCOc3ccccc3)CC2)CC[NH2+]1 ZINC000414682503 404707738 /nfs/dbraw/zinc/70/77/38/404707738.db2.gz RHKVBPJBSUGYIC-ZWKOTPCHSA-N 1 3 317.477 2.071 20 0 DEADHO C[C@H]1C[C@H](CN2CCN(C(=O)C3CCCCC3)CC2)CC[NH2+]1 ZINC000414696019 404710558 /nfs/dbraw/zinc/71/05/58/404710558.db2.gz VEHZGTCMPBJACN-JKSUJKDBSA-N 1 3 307.482 2.099 20 0 DEADHO Cc1ccc(C)c([C@@H](C)[N@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)c1 ZINC000414709456 404713377 /nfs/dbraw/zinc/71/33/77/404713377.db2.gz RFHQOAVFGIMKFG-SJORKVTESA-N 1 3 317.477 2.494 20 0 DEADHO Cc1ccc(C)c([C@@H](C)[N@@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)c1 ZINC000414709456 404713379 /nfs/dbraw/zinc/71/33/79/404713379.db2.gz RFHQOAVFGIMKFG-SJORKVTESA-N 1 3 317.477 2.494 20 0 DEADHO Cc1ccc(C(=O)N2CCN(C[C@H]3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC000414736032 404720730 /nfs/dbraw/zinc/72/07/30/404720730.db2.gz CNFJZTIAZQTDIS-SJORKVTESA-N 1 3 315.461 2.141 20 0 DEADHO C[C@@H]1C[C@@H](CN(C)[C@H]2CCN(c3ccccc3F)C2=O)CC[NH2+]1 ZINC000414745812 404722836 /nfs/dbraw/zinc/72/28/36/404722836.db2.gz RKQWFARWJSYDSQ-KEYYUXOJSA-N 1 3 319.424 2.251 20 0 DEADHO C[C@H]1C[C@H](CN2CCN(C(=O)CC3CCCCC3)CC2)CC[NH2+]1 ZINC000414754409 404725107 /nfs/dbraw/zinc/72/51/07/404725107.db2.gz XUGJVNFJQXTEBJ-FUHWJXTLSA-N 1 3 321.509 2.489 20 0 DEADHO FC(F)(F)[C@@H](CNC/C=C/c1ccccc1)N1CC[NH2+]CC1 ZINC000414966780 404778195 /nfs/dbraw/zinc/77/81/95/404778195.db2.gz DWYXCIZWPLCQKM-NFBGWVBBSA-N 1 3 313.367 2.126 20 0 DEADHO COCC1(CNCc2nc3c(s2)C[C@@H](C)CC3)CC[NH2+]CC1 ZINC000414978803 404780203 /nfs/dbraw/zinc/78/02/03/404780203.db2.gz TYPINKOGJQSETJ-ZDUSSCGKSA-N 1 3 323.506 2.374 20 0 DEADHO CC[C@@H]([NH3+])CNC1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000414992445 404782970 /nfs/dbraw/zinc/78/29/70/404782970.db2.gz RPCJJEPVKOMELI-GFCCVEGCSA-N 1 3 309.841 2.272 20 0 DEADHO COc1cc(OC)c(CNC[C@@H]2CCC[C@@H]([NH3+])C2)c(OC)c1 ZINC000415003785 404786134 /nfs/dbraw/zinc/78/61/34/404786134.db2.gz XKNZAYXAFNRNSI-CHWSQXEVSA-N 1 3 308.422 2.320 20 0 DEADHO CCOc1c(CN[C@H]2CC[C@H](C[NH3+])C2)c(C)nn1CC(C)C ZINC000415031199 404791628 /nfs/dbraw/zinc/79/16/28/404791628.db2.gz GUDRGQXSTYPTLY-GJZGRUSLSA-N 1 3 308.470 2.463 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)NCCC[NH2+]C2CC2)c1 ZINC000415073904 404801346 /nfs/dbraw/zinc/80/13/46/404801346.db2.gz ZCUDAKGTIIZOBX-ZDUSSCGKSA-N 1 3 305.422 2.144 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)[NH2+]CCCNC2CC2)c1 ZINC000415073904 404801349 /nfs/dbraw/zinc/80/13/49/404801349.db2.gz ZCUDAKGTIIZOBX-ZDUSSCGKSA-N 1 3 305.422 2.144 20 0 DEADHO COc1cccc(NC(=O)C[C@@H](C)NCCC[NH2+]C2CC2)c1 ZINC000415073903 404801380 /nfs/dbraw/zinc/80/13/80/404801380.db2.gz ZCUDAKGTIIZOBX-CYBMUJFWSA-N 1 3 305.422 2.144 20 0 DEADHO COc1cccc(NC(=O)C[C@@H](C)[NH2+]CCCNC2CC2)c1 ZINC000415073903 404801384 /nfs/dbraw/zinc/80/13/84/404801384.db2.gz ZCUDAKGTIIZOBX-CYBMUJFWSA-N 1 3 305.422 2.144 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC000415081214 404802897 /nfs/dbraw/zinc/80/28/97/404802897.db2.gz KBQBDWRQZQEZSZ-LRDDRELGSA-N 1 3 321.852 2.114 20 0 DEADHO COc1ccsc1CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415125078 404813093 /nfs/dbraw/zinc/81/30/93/404813093.db2.gz NQJFPDJVCMWZFV-ZFWWWQNUSA-N 1 3 310.463 2.475 20 0 DEADHO COc1ccc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000415137690 404816786 /nfs/dbraw/zinc/81/67/86/404816786.db2.gz YFUTYIVMXBYGAX-ROUUACIJSA-N 1 3 304.434 2.414 20 0 DEADHO CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000353430384 404829055 /nfs/dbraw/zinc/82/90/55/404829055.db2.gz ABIFVJYRXQCXGC-MRXNPFEDSA-N 1 3 322.497 2.131 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415585445 404889440 /nfs/dbraw/zinc/88/94/40/404889440.db2.gz XMWJDXMNCLZAAP-UKRRQHHQSA-N 1 3 304.438 2.040 20 0 DEADHO COC[C@]1(C)CCN(CC(C)C[N@@H+]2CC[C@@](C)(COC)C2)C1 ZINC000451203912 404900325 /nfs/dbraw/zinc/90/03/25/404900325.db2.gz RWIBNIXICZWVOA-QZTJIDSGSA-N 1 3 312.498 2.339 20 0 DEADHO COC[C@]1(C)CCN(CC(C)C[N@H+]2CC[C@@](C)(COC)C2)C1 ZINC000451203912 404900329 /nfs/dbraw/zinc/90/03/29/404900329.db2.gz RWIBNIXICZWVOA-QZTJIDSGSA-N 1 3 312.498 2.339 20 0 DEADHO C[C@@H]([NH2+]C[C@@H](CO)C1CC1)c1cccc(OCCN(C)C)c1 ZINC000353489898 404845011 /nfs/dbraw/zinc/84/50/11/404845011.db2.gz QESVALDFMBXWCF-PBHICJAKSA-N 1 3 306.450 2.296 20 0 DEADHO Cc1nccn1CC[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000360940129 404857528 /nfs/dbraw/zinc/85/75/28/404857528.db2.gz DUPLOPNTMHGGDM-HNNXBMFYSA-N 1 3 316.449 2.483 20 0 DEADHO CC(C)[C@H](N)C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000353752428 404957654 /nfs/dbraw/zinc/95/76/54/404957654.db2.gz GNJPIFWNAVHCFP-JQHSSLGASA-N 1 3 317.477 2.387 20 0 DEADHO CC(C)[C@H](N)C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000353752428 404957658 /nfs/dbraw/zinc/95/76/58/404957658.db2.gz GNJPIFWNAVHCFP-JQHSSLGASA-N 1 3 317.477 2.387 20 0 DEADHO CC[NH2+]Cc1cccc(NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c1 ZINC000415923857 404972782 /nfs/dbraw/zinc/97/27/82/404972782.db2.gz VRIDOBRJMMUKQX-DOTOQJQBSA-N 1 3 316.449 2.354 20 0 DEADHO CC(C)(CNC(=O)NC[C@@H](N)c1ccccc1)[NH+]1CCCCC1 ZINC000416826197 404925603 /nfs/dbraw/zinc/92/56/03/404925603.db2.gz JXDXDDJKKBDNKZ-MRXNPFEDSA-N 1 3 318.465 2.250 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)N(CC)CC ZINC000424015294 404971411 /nfs/dbraw/zinc/97/14/11/404971411.db2.gz YSMRYENJWRFXGJ-BBWFWOEESA-N 1 3 321.440 2.199 20 0 DEADHO CC1CC[NH+](C[C@@H]2CCCN(CCN3CCCOCC3)C2)CC1 ZINC000361294263 405011323 /nfs/dbraw/zinc/01/13/23/405011323.db2.gz DNANVFUQCDQTQC-LJQANCHMSA-N 1 3 323.525 2.153 20 0 DEADHO O=C(c1ccco1)N1CCC([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000361344266 405031664 /nfs/dbraw/zinc/03/16/64/405031664.db2.gz SKYPTXRKBDWHEO-HOTGVXAUSA-N 1 3 317.433 2.101 20 0 DEADHO O=C(c1ccco1)N1CCC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000361344266 405031667 /nfs/dbraw/zinc/03/16/67/405031667.db2.gz SKYPTXRKBDWHEO-HOTGVXAUSA-N 1 3 317.433 2.101 20 0 DEADHO O=C(c1ccco1)N1CCC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000361344266 405031671 /nfs/dbraw/zinc/03/16/71/405031671.db2.gz SKYPTXRKBDWHEO-HOTGVXAUSA-N 1 3 317.433 2.101 20 0 DEADHO CNCc1cccc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000415931079 404975029 /nfs/dbraw/zinc/97/50/29/404975029.db2.gz LMXROPMCPTXJIX-CVEARBPZSA-N 1 3 302.422 2.154 20 0 DEADHO CNCc1cccc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000415931079 404975031 /nfs/dbraw/zinc/97/50/31/404975031.db2.gz LMXROPMCPTXJIX-CVEARBPZSA-N 1 3 302.422 2.154 20 0 DEADHO C[NH2+]Cc1cccc(NC(=O)N[C@@H](C)C2=CCN(C)CC2)c1 ZINC000415932084 404975100 /nfs/dbraw/zinc/97/51/00/404975100.db2.gz NTPDSGUMRKDZHW-ZDUSSCGKSA-N 1 3 302.422 2.178 20 0 DEADHO CC[NH2+]Cc1cccc(NC(=O)NC2CCN(CC)CC2)c1 ZINC000415934320 404976745 /nfs/dbraw/zinc/97/67/45/404976745.db2.gz PNOUHCNEXDFWTF-UHFFFAOYSA-N 1 3 304.438 2.402 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)N(CC)CC ZINC000424039952 404979725 /nfs/dbraw/zinc/97/97/25/404979725.db2.gz FCFOUZGTRRUYFE-MGMWPHTOSA-N 1 3 321.509 2.377 20 0 DEADHO CC[C@H](C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)N(CC)CC ZINC000424046800 404983608 /nfs/dbraw/zinc/98/36/08/404983608.db2.gz WGVVDXANNBZLNS-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO C[NH2+]Cc1ccc(NC(=O)N(CCN(C)C)CC(C)C)cc1 ZINC000415976952 404992351 /nfs/dbraw/zinc/99/23/51/404992351.db2.gz XBFNDQMZAKEVLU-UHFFFAOYSA-N 1 3 306.454 2.458 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H](C)C[NH3+])c1ccsc1 ZINC000417003912 404994643 /nfs/dbraw/zinc/99/46/43/404994643.db2.gz HLVHOZPACDMSFD-JSGCOSHPSA-N 1 3 312.483 2.025 20 0 DEADHO Cc1cc(CN)cc(NC(=O)NCC[N@@H+](C)C2CCCC2)c1 ZINC000424437654 405094458 /nfs/dbraw/zinc/09/44/58/405094458.db2.gz OFPHGTFBCQZSHJ-UHFFFAOYSA-N 1 3 304.438 2.450 20 0 DEADHO Cc1cc(CN)cc(NC(=O)NCC[N@H+](C)C2CCCC2)c1 ZINC000424437654 405094463 /nfs/dbraw/zinc/09/44/63/405094463.db2.gz OFPHGTFBCQZSHJ-UHFFFAOYSA-N 1 3 304.438 2.450 20 0 DEADHO CN(C)[C@@H](CC(=O)N1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000416159696 405040906 /nfs/dbraw/zinc/04/09/06/405040906.db2.gz NFMZBLPOZOSXAP-SFHVURJKSA-N 1 3 317.477 2.480 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000389978545 405042775 /nfs/dbraw/zinc/04/27/75/405042775.db2.gz HCSBEGIGOCQTNU-YJBOKZPZSA-N 1 3 315.461 2.013 20 0 DEADHO CCN(CCC[NH+](C)C)C(=O)C[C@H](c1ccccc1)N(C)C ZINC000416219280 405061063 /nfs/dbraw/zinc/06/10/63/405061063.db2.gz WRJILTUAYJAXLG-QGZVFWFLSA-N 1 3 305.466 2.480 20 0 DEADHO CC(C)[C@H]([NH3+])CNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000417221754 405067133 /nfs/dbraw/zinc/06/71/33/405067133.db2.gz OQZQKTKCKCDFTI-DJIMGWMZSA-N 1 3 318.465 2.104 20 0 DEADHO CO[C@H]1C[C@@H]([N@H+](C)CCCN2CCN(C(C)C)CC2)C12CCC2 ZINC000451861417 405069521 /nfs/dbraw/zinc/06/95/21/405069521.db2.gz XMCYVSQMPZIBEX-MSOLQXFVSA-N 1 3 323.525 2.292 20 0 DEADHO CO[C@H]1C[C@@H]([N@@H+](C)CCCN2CCN(C(C)C)CC2)C12CCC2 ZINC000451861417 405069526 /nfs/dbraw/zinc/06/95/26/405069526.db2.gz XMCYVSQMPZIBEX-MSOLQXFVSA-N 1 3 323.525 2.292 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCNC(=O)CCCc1ccccc1 ZINC000424379045 405077187 /nfs/dbraw/zinc/07/71/87/405077187.db2.gz OHSNUIWAUKIART-ROUUACIJSA-N 1 3 317.477 2.233 20 0 DEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCNC(=O)CCCc1ccccc1 ZINC000424379045 405077192 /nfs/dbraw/zinc/07/71/92/405077192.db2.gz OHSNUIWAUKIART-ROUUACIJSA-N 1 3 317.477 2.233 20 0 DEADHO C[C@H]1CCCC[C@@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000424629283 405132508 /nfs/dbraw/zinc/13/25/08/405132508.db2.gz OILHPMAYOHLXSK-YJBOKZPZSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C[C@H]1CCCN(C)C1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361502007 405103600 /nfs/dbraw/zinc/10/36/00/405103600.db2.gz UZHMUTYCVMTBIR-IRXDYDNUSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C[C@H]1CCCN(C)C1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361502007 405103604 /nfs/dbraw/zinc/10/36/04/405103604.db2.gz UZHMUTYCVMTBIR-IRXDYDNUSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424473011 405104987 /nfs/dbraw/zinc/10/49/87/405104987.db2.gz GNLKQEJOBGJSBS-BRWVUGGUSA-N 1 3 318.465 2.379 20 0 DEADHO CC(C)[C@@H]([NH3+])CNC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000418386925 405125181 /nfs/dbraw/zinc/12/51/81/405125181.db2.gz SCKUPGDUGYOWSD-INIZCTEOSA-N 1 3 312.502 2.123 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)NC[C@@H](C)C[NH2+]C ZINC000418368606 405125305 /nfs/dbraw/zinc/12/53/05/405125305.db2.gz MFSKYSNHVXUSJC-INIZCTEOSA-N 1 3 312.502 2.140 20 0 DEADHO Cc1ccccc1CN1CCC(NC(=O)CCCC[NH3+])CC1 ZINC000568386179 292336772 /nfs/dbraw/zinc/33/67/72/292336772.db2.gz AGINDMHJAFEKFJ-UHFFFAOYSA-N 1 3 303.450 2.205 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)CC2CCCCC2)CC[NH2+]1 ZINC000418614905 405139470 /nfs/dbraw/zinc/13/94/70/405139470.db2.gz XNKPGCKNVNMHDS-WBVHZDCISA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H](C[NH3+])NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000418564155 405133445 /nfs/dbraw/zinc/13/34/45/405133445.db2.gz IXZGHTOJURGASW-ZMSDIMECSA-N 1 3 318.465 2.028 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000418644829 405147748 /nfs/dbraw/zinc/14/77/48/405147748.db2.gz CPMNGJSZZSHSTE-IAOVAPTHSA-N 1 3 318.465 2.160 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000418647942 405149422 /nfs/dbraw/zinc/14/94/22/405149422.db2.gz HGXLDANQHNKMAR-SUMWQHHRSA-N 1 3 318.465 2.018 20 0 DEADHO CN(C)CCN(C(=O)NC[C@H]1[NH2+]CCCC1(C)C)C1CCCC1 ZINC000418636055 405144850 /nfs/dbraw/zinc/14/48/50/405144850.db2.gz HPKZLELTDTUSDK-MRXNPFEDSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H](CCCC[NH3+])NC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000418717682 405179448 /nfs/dbraw/zinc/17/94/48/405179448.db2.gz ZPUUZVFFZHCKRZ-HOTGVXAUSA-N 1 3 310.486 2.164 20 0 DEADHO c1csc(N2CCC(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)n1 ZINC000367919288 405191809 /nfs/dbraw/zinc/19/18/09/405191809.db2.gz WSAQDIGTSHHQMV-GJZGRUSLSA-N 1 3 306.479 2.328 20 0 DEADHO c1csc(N2CCC(N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)n1 ZINC000367919288 405191814 /nfs/dbraw/zinc/19/18/14/405191814.db2.gz WSAQDIGTSHHQMV-GJZGRUSLSA-N 1 3 306.479 2.328 20 0 DEADHO c1csc(N2CCC([NH2+][C@H]3CCN4CCC[C@H]4C3)CC2)n1 ZINC000367919288 405191819 /nfs/dbraw/zinc/19/18/19/405191819.db2.gz WSAQDIGTSHHQMV-GJZGRUSLSA-N 1 3 306.479 2.328 20 0 DEADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@H](C)CCCC[NH3+])o1 ZINC000418697315 405171295 /nfs/dbraw/zinc/17/12/95/405171295.db2.gz NHBMAFNLRIQGBO-CQSZACIVSA-N 1 3 324.469 2.179 20 0 DEADHO OC1CCN(Cc2ccccc2C[NH2+]CC[C@@H]2CCOC2)CC1 ZINC000438172150 405235532 /nfs/dbraw/zinc/23/55/32/405235532.db2.gz ANNUFFMXYYWYSB-MRXNPFEDSA-N 1 3 318.461 2.160 20 0 DEADHO C[N@H+](CCCCN[C@H](C(=O)NC1CC1)c1ccccc1)C1CC1 ZINC000419298277 405236940 /nfs/dbraw/zinc/23/69/40/405236940.db2.gz ICNBBLWFCXVZMG-SFHVURJKSA-N 1 3 315.461 2.470 20 0 DEADHO C[N@@H+](CCCCN[C@H](C(=O)NC1CC1)c1ccccc1)C1CC1 ZINC000419298277 405236942 /nfs/dbraw/zinc/23/69/42/405236942.db2.gz ICNBBLWFCXVZMG-SFHVURJKSA-N 1 3 315.461 2.470 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+](C)CC2(CO)CC2)CC1 ZINC000438338504 405243035 /nfs/dbraw/zinc/24/30/35/405243035.db2.gz AJDSBALPKMOHRD-UHFFFAOYSA-N 1 3 317.477 2.033 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+](C)CC2(CO)CC2)CC1 ZINC000438338504 405243036 /nfs/dbraw/zinc/24/30/36/405243036.db2.gz AJDSBALPKMOHRD-UHFFFAOYSA-N 1 3 317.477 2.033 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000439694026 405288859 /nfs/dbraw/zinc/28/88/59/405288859.db2.gz VFFKKUZCNDXGLC-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000439694026 405288860 /nfs/dbraw/zinc/28/88/60/405288860.db2.gz VFFKKUZCNDXGLC-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CO[C@]1(C)C[C@H]([N@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)C1(C)C ZINC000420301127 405311838 /nfs/dbraw/zinc/31/18/38/405311838.db2.gz LAXYAQPHNUWFHP-LSTDLKDCSA-N 1 3 320.477 2.053 20 0 DEADHO CO[C@]1(C)C[C@H]([N@@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)C1(C)C ZINC000420301127 405311841 /nfs/dbraw/zinc/31/18/41/405311841.db2.gz LAXYAQPHNUWFHP-LSTDLKDCSA-N 1 3 320.477 2.053 20 0 DEADHO CO[C@]1(C)C[C@H](N(C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1(C)C ZINC000420301127 405311843 /nfs/dbraw/zinc/31/18/43/405311843.db2.gz LAXYAQPHNUWFHP-LSTDLKDCSA-N 1 3 320.477 2.053 20 0 DEADHO CN(CC[C@H]1CC[NH2+]C1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000420311020 405314447 /nfs/dbraw/zinc/31/44/47/405314447.db2.gz VRYAABQUUXKTMI-NVXWUHKLSA-N 1 3 301.434 2.113 20 0 DEADHO CC[N@H+](CCc1ccccc1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420318338 405317909 /nfs/dbraw/zinc/31/79/09/405317909.db2.gz OMSBXVPKWRSKPM-PMACEKPBSA-N 1 3 312.457 2.482 20 0 DEADHO CC[N@@H+](CCc1ccccc1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420318338 405317911 /nfs/dbraw/zinc/31/79/11/405317911.db2.gz OMSBXVPKWRSKPM-PMACEKPBSA-N 1 3 312.457 2.482 20 0 DEADHO CCN(CCc1ccccc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420318338 405317913 /nfs/dbraw/zinc/31/79/13/405317913.db2.gz OMSBXVPKWRSKPM-PMACEKPBSA-N 1 3 312.457 2.482 20 0 DEADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000420320422 405318674 /nfs/dbraw/zinc/31/86/74/405318674.db2.gz QFEQCKWULIMQLM-HOTGVXAUSA-N 1 3 314.433 2.340 20 0 DEADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000420320422 405318677 /nfs/dbraw/zinc/31/86/77/405318677.db2.gz QFEQCKWULIMQLM-HOTGVXAUSA-N 1 3 314.433 2.340 20 0 DEADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000420320422 405318678 /nfs/dbraw/zinc/31/86/78/405318678.db2.gz QFEQCKWULIMQLM-HOTGVXAUSA-N 1 3 314.433 2.340 20 0 DEADHO COc1cccc(OCCN2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000420324560 405319615 /nfs/dbraw/zinc/31/96/15/405319615.db2.gz ZUQMVNKUIXPYLP-INIZCTEOSA-N 1 3 304.434 2.396 20 0 DEADHO CC(C)CN(C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)C(C)C ZINC000420333757 405323163 /nfs/dbraw/zinc/32/31/63/405323163.db2.gz SWMACRZEMKWPTC-IRXDYDNUSA-N 1 3 309.498 2.201 20 0 DEADHO [NH3+]C[C@@H]1CN(CCCOc2ccc(F)cc2)CC12CCOCC2 ZINC000420336708 405324393 /nfs/dbraw/zinc/32/43/93/405324393.db2.gz WENVHXPXNPMXBR-OAHLLOKOSA-N 1 3 322.424 2.282 20 0 DEADHO NC[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)CC12CCOCC2 ZINC000420336708 405324395 /nfs/dbraw/zinc/32/43/95/405324395.db2.gz WENVHXPXNPMXBR-OAHLLOKOSA-N 1 3 322.424 2.282 20 0 DEADHO NC[C@@H]1C[N@@H+](CCCOc2ccc(F)cc2)CC12CCOCC2 ZINC000420336708 405324396 /nfs/dbraw/zinc/32/43/96/405324396.db2.gz WENVHXPXNPMXBR-OAHLLOKOSA-N 1 3 322.424 2.282 20 0 DEADHO Fc1ccc(-n2ccc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)cc1 ZINC000420339572 405324967 /nfs/dbraw/zinc/32/49/67/405324967.db2.gz OJZZFGHKWAXUDN-GASCZTMLSA-N 1 3 314.408 2.443 20 0 DEADHO CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H](C)N(C)C)c1 ZINC000454303924 405325148 /nfs/dbraw/zinc/32/51/48/405325148.db2.gz YBHCWGILVMTSDX-HNNXBMFYSA-N 1 3 320.481 2.278 20 0 DEADHO C[N@H+](CCCCOc1cccc(C(F)(F)F)c1)C[C@H](O)CN ZINC000420360981 405331479 /nfs/dbraw/zinc/33/14/79/405331479.db2.gz XFTAUPWULLLVJG-CYBMUJFWSA-N 1 3 320.355 2.116 20 0 DEADHO C[N@@H+](CCCCOc1cccc(C(F)(F)F)c1)C[C@H](O)CN ZINC000420360981 405331481 /nfs/dbraw/zinc/33/14/81/405331481.db2.gz XFTAUPWULLLVJG-CYBMUJFWSA-N 1 3 320.355 2.116 20 0 DEADHO CN(CCCCOc1cccc(C(F)(F)F)c1)C[C@H](O)C[NH3+] ZINC000420360981 405331485 /nfs/dbraw/zinc/33/14/85/405331485.db2.gz XFTAUPWULLLVJG-CYBMUJFWSA-N 1 3 320.355 2.116 20 0 DEADHO CC1(C)C[NH2+]CC[C@@H]1NCCC(=O)Nc1cc(F)cc(F)c1 ZINC000420364924 405332985 /nfs/dbraw/zinc/33/29/85/405332985.db2.gz POFBHDUVVQAKOF-AWEZNQCLSA-N 1 3 311.376 2.271 20 0 DEADHO CC1(C)CNCC[C@@H]1[NH2+]CCC(=O)Nc1cc(F)cc(F)c1 ZINC000420364924 405332988 /nfs/dbraw/zinc/33/29/88/405332988.db2.gz POFBHDUVVQAKOF-AWEZNQCLSA-N 1 3 311.376 2.271 20 0 DEADHO [NH3+][C@H]1CCO[C@H](C2CCN(CCOc3cccc(F)c3)CC2)C1 ZINC000420392868 405342536 /nfs/dbraw/zinc/34/25/36/405342536.db2.gz PVUPOZREOOWSJQ-WMZOPIPTSA-N 1 3 322.424 2.423 20 0 DEADHO O=C(NCCCCC[NH+]1CCCCC1)[C@H]1CCCN1C1CC1 ZINC000426335915 405351882 /nfs/dbraw/zinc/35/18/82/405351882.db2.gz RGZTVDDNWREXBA-QGZVFWFLSA-N 1 3 307.482 2.386 20 0 DEADHO CC(C)N1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000427190211 405393932 /nfs/dbraw/zinc/39/39/32/405393932.db2.gz APPKELYSWVJPIX-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO FC(F)(F)Cn1ccnc1CNCC1CC[NH+](C2CC2)CC1 ZINC000446886591 405396041 /nfs/dbraw/zinc/39/60/41/405396041.db2.gz HJAVRUPJHHYCLB-UHFFFAOYSA-N 1 3 316.371 2.409 20 0 DEADHO CN(C[C@@H]1CCCN1C)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000420913517 405403684 /nfs/dbraw/zinc/40/36/84/405403684.db2.gz JKYRSIQXRIKNOS-IRXDYDNUSA-N 1 3 324.513 2.233 20 0 DEADHO CC(=O)N[C@@H]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000420965523 405416721 /nfs/dbraw/zinc/41/67/21/405416721.db2.gz YFJLYEMTRJJOAW-LJQANCHMSA-N 1 3 315.461 2.383 20 0 DEADHO CCN1CCC([N@@H+]2CCCN(Cc3c(C)noc3C)CC2)CC1 ZINC000420984058 405421413 /nfs/dbraw/zinc/42/14/13/405421413.db2.gz SBRSXNHMJLKJPO-UHFFFAOYSA-N 1 3 320.481 2.283 20 0 DEADHO CCN1CCC([N@H+]2CCCN(Cc3c(C)noc3C)CC2)CC1 ZINC000420984058 405421414 /nfs/dbraw/zinc/42/14/14/405421414.db2.gz SBRSXNHMJLKJPO-UHFFFAOYSA-N 1 3 320.481 2.283 20 0 DEADHO CN1CCC[C@@H]1C[N@H+](C)Cc1ccc(CN2CCOCC2)cc1 ZINC000420994677 405422774 /nfs/dbraw/zinc/42/27/74/405422774.db2.gz GXJWJQOVKKFOMY-LJQANCHMSA-N 1 3 317.477 2.045 20 0 DEADHO CN1CCC[C@@H]1C[N@@H+](C)Cc1ccc(CN2CCOCC2)cc1 ZINC000420994677 405422775 /nfs/dbraw/zinc/42/27/75/405422775.db2.gz GXJWJQOVKKFOMY-LJQANCHMSA-N 1 3 317.477 2.045 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2CCCCC(C)(C)C2)CC1 ZINC000446069179 405368709 /nfs/dbraw/zinc/36/87/09/405368709.db2.gz UZMFIHLYPHNWIV-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000454773662 405377007 /nfs/dbraw/zinc/37/70/07/405377007.db2.gz DIIAOSAXPXCWBZ-YESZJQIVSA-N 1 3 324.513 2.279 20 0 DEADHO CC[NH+]1CCC(NC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000429420891 405429493 /nfs/dbraw/zinc/42/94/93/405429493.db2.gz WUZUQXPIVDSUGA-MSOLQXFVSA-N 1 3 306.425 2.366 20 0 DEADHO CCN(Cc1ccc(C(=O)N2CC[C@H](C[NH2+]C)C2)cc1)C1CC1 ZINC000429460156 405431497 /nfs/dbraw/zinc/43/14/97/405431497.db2.gz XAYQWYQGJMIVTD-MRXNPFEDSA-N 1 3 315.461 2.352 20 0 DEADHO CO[C@@H](C[NH2+]C1CCN(C2CCN(C)CC2)CC1)C1CCCC1 ZINC000638458426 405482341 /nfs/dbraw/zinc/48/23/41/405482341.db2.gz DEOGDUZSOWCEQY-IBGZPJMESA-N 1 3 323.525 2.340 20 0 DEADHO CN(C)CC[C@H]([NH2+]C1CCN(CC(C)(C)O)CC1)C(C)(C)C ZINC000638602423 405566805 /nfs/dbraw/zinc/56/68/05/405566805.db2.gz CMCDCLVZDGJGIA-INIZCTEOSA-N 1 3 313.530 2.178 20 0 DEADHO C[NH2+]C[C@](C)(O)CN1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000577759513 405510469 /nfs/dbraw/zinc/51/04/69/405510469.db2.gz KQDNGGUCLZZEHY-KSSFIOAISA-N 1 3 316.449 2.021 20 0 DEADHO C[NH2+]C[C@](C)(O)CN1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000577759513 405510473 /nfs/dbraw/zinc/51/04/73/405510473.db2.gz KQDNGGUCLZZEHY-KSSFIOAISA-N 1 3 316.449 2.021 20 0 DEADHO CC(C)N1CC[C@@H](N(C)C(=O)NCC[C@H](C)[NH+]2CCCCC2)C1 ZINC000458633373 405513805 /nfs/dbraw/zinc/51/38/05/405513805.db2.gz CFLCSHQNPYVJAD-DLBZAZTESA-N 1 3 324.513 2.375 20 0 DEADHO O=C1C[C@@H](NC[C@H]2CCC[N@@H+]2CC2CCCCC2)CCCN1 ZINC000638522172 405524911 /nfs/dbraw/zinc/52/49/11/405524911.db2.gz NVMBSPCDIFVLRS-DLBZAZTESA-N 1 3 307.482 2.289 20 0 DEADHO O=C1C[C@@H](NC[C@H]2CCC[N@H+]2CC2CCCCC2)CCCN1 ZINC000638522172 405524916 /nfs/dbraw/zinc/52/49/16/405524916.db2.gz NVMBSPCDIFVLRS-DLBZAZTESA-N 1 3 307.482 2.289 20 0 DEADHO C[C@H](CC[NH+](C)C)NC[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000577842175 405525214 /nfs/dbraw/zinc/52/52/14/405525214.db2.gz LPOLJQMEZOXMON-HHXXYDBFSA-N 1 3 320.477 2.371 20 0 DEADHO C[C@@H]([NH3+])C1CCN([C@@H](C)C(=O)N2CCc3sccc3C2)CC1 ZINC000430936335 405535395 /nfs/dbraw/zinc/53/53/95/405535395.db2.gz UIVJBABWKHKXRH-OLZOCXBDSA-N 1 3 321.490 2.081 20 0 DEADHO CCc1ccc(CN(C)C(=O)CN2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000430964476 405549296 /nfs/dbraw/zinc/54/92/96/405549296.db2.gz ZEHFNGDJMKHCGP-HNNXBMFYSA-N 1 3 317.477 2.267 20 0 DEADHO C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000493876017 405604655 /nfs/dbraw/zinc/60/46/55/405604655.db2.gz SRWPUHZKLMOASG-LSDHHAIUSA-N 1 3 303.450 2.272 20 0 DEADHO C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000493876016 405604935 /nfs/dbraw/zinc/60/49/35/405604935.db2.gz SRWPUHZKLMOASG-HUUCEWRRSA-N 1 3 303.450 2.272 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000458817473 405608664 /nfs/dbraw/zinc/60/86/64/405608664.db2.gz QEWJUAUZAQIXRA-FUHWJXTLSA-N 1 3 324.513 2.234 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000458817473 405608672 /nfs/dbraw/zinc/60/86/72/405608672.db2.gz QEWJUAUZAQIXRA-FUHWJXTLSA-N 1 3 324.513 2.234 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000458742933 405567576 /nfs/dbraw/zinc/56/75/76/405567576.db2.gz NSXBBNVDUYMLMX-CVEARBPZSA-N 1 3 324.513 2.231 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000458742933 405567585 /nfs/dbraw/zinc/56/75/85/405567585.db2.gz NSXBBNVDUYMLMX-CVEARBPZSA-N 1 3 324.513 2.231 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C2(C[NH3+])CCCC2)C1 ZINC000431062398 405569881 /nfs/dbraw/zinc/56/98/81/405569881.db2.gz PUWYMMLJJBZLCM-WBVHZDCISA-N 1 3 315.461 2.457 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000431063026 405570682 /nfs/dbraw/zinc/57/06/82/405570682.db2.gz WNPUQYNLULCZEQ-XBVQOTNRSA-N 1 3 301.434 2.066 20 0 DEADHO CCCN[C@H](C)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000449506874 405587609 /nfs/dbraw/zinc/58/76/09/405587609.db2.gz SNMNZVCHFVJLIH-SECBINFHSA-N 1 3 303.328 2.491 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000449506874 405587614 /nfs/dbraw/zinc/58/76/14/405587614.db2.gz SNMNZVCHFVJLIH-SECBINFHSA-N 1 3 303.328 2.491 20 0 DEADHO C[C@H](CCN[C@@H]1CCO[C@@H]1C1CC1)[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000580161211 405595253 /nfs/dbraw/zinc/59/52/53/405595253.db2.gz FDEIKFGGQSXPQC-SOGIYBJLSA-N 1 3 308.466 2.079 20 0 DEADHO C[C@H](CC[NH2+][C@@H]1CCO[C@@H]1C1CC1)N[C@H]1CCO[C@@H]1C1CC1 ZINC000580161211 405595257 /nfs/dbraw/zinc/59/52/57/405595257.db2.gz FDEIKFGGQSXPQC-SOGIYBJLSA-N 1 3 308.466 2.079 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000458796982 405598555 /nfs/dbraw/zinc/59/85/55/405598555.db2.gz DHXKIDMFLOQYGH-CVEARBPZSA-N 1 3 324.513 2.233 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000458796982 405598556 /nfs/dbraw/zinc/59/85/56/405598556.db2.gz DHXKIDMFLOQYGH-CVEARBPZSA-N 1 3 324.513 2.233 20 0 DEADHO COCC(C)(C)C[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000494090270 405641306 /nfs/dbraw/zinc/64/13/06/405641306.db2.gz QHIHCTRNUZMYFO-UHFFFAOYSA-N 1 3 320.477 2.406 20 0 DEADHO CC[NH+](CC)CCOc1ccccc1NC(=O)CNC1CC1 ZINC000580555015 405643943 /nfs/dbraw/zinc/64/39/43/405643943.db2.gz JEAWGAKWZPJQST-UHFFFAOYSA-N 1 3 305.422 2.098 20 0 DEADHO OCc1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000638749210 405649746 /nfs/dbraw/zinc/64/97/46/405649746.db2.gz KRKXTJYPFRPEAB-RBUKOAKNSA-N 1 3 318.461 2.036 20 0 DEADHO CC(C)CN1CCC[C@H](C[NH2+][C@H](C)C[C@H]2CCCC(=O)N2)C1 ZINC000638788461 405669585 /nfs/dbraw/zinc/66/95/85/405669585.db2.gz KIQWLNKWCFBMJH-BRWVUGGUSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]1C[C@H](CN2CCNC(=O)[C@@H]2CC2CCCCC2)CC[NH2+]1 ZINC000422558554 405671226 /nfs/dbraw/zinc/67/12/26/405671226.db2.gz OLDJPDQECBVFRE-OIISXLGYSA-N 1 3 307.482 2.145 20 0 DEADHO COCCC1CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000528576908 405672135 /nfs/dbraw/zinc/67/21/35/405672135.db2.gz FSCAGQMCUNTGEJ-UHFFFAOYSA-N 1 3 311.514 2.151 20 0 DEADHO c1ccc(C2(CN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422814443 405684938 /nfs/dbraw/zinc/68/49/38/405684938.db2.gz UUXYTAAWIWKLKF-RCCFBDPRSA-N 1 3 300.446 2.465 20 0 DEADHO CC(C)[C@@H](C[NH2+][C@@H](C)C[C@@H]1COCCN1)N1CCC(C)CC1 ZINC000422850914 405687463 /nfs/dbraw/zinc/68/74/63/405687463.db2.gz WGTZBICPDHJTKW-RCCFBDPRSA-N 1 3 311.514 2.100 20 0 DEADHO CC(C)[C@@H](CN[C@@H](C)C[C@@H]1COCCN1)[NH+]1CCC(C)CC1 ZINC000422850914 405687468 /nfs/dbraw/zinc/68/74/68/405687468.db2.gz WGTZBICPDHJTKW-RCCFBDPRSA-N 1 3 311.514 2.100 20 0 DEADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1CCCCN1 ZINC000638837094 405704285 /nfs/dbraw/zinc/70/42/85/405704285.db2.gz XWUYLVAFURQORO-JQHSSLGASA-N 1 3 315.461 2.013 20 0 DEADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1CCCCN1 ZINC000638837094 405704288 /nfs/dbraw/zinc/70/42/88/405704288.db2.gz XWUYLVAFURQORO-JQHSSLGASA-N 1 3 315.461 2.013 20 0 DEADHO COc1cc(F)cc(C[C@H](C)[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)N)c1 ZINC000423159157 405706290 /nfs/dbraw/zinc/70/62/90/405706290.db2.gz FKCHCMNSKRKCEA-JQHQGBHXSA-N 1 3 310.413 2.107 20 0 DEADHO COc1cc(F)cc(C[C@H](C)N[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000423159157 405706296 /nfs/dbraw/zinc/70/62/96/405706296.db2.gz FKCHCMNSKRKCEA-JQHQGBHXSA-N 1 3 310.413 2.107 20 0 DEADHO Cc1cc(Cl)cc2c1OCCC[C@@H]2NCCN1CC[NH2+]CC1 ZINC000423200652 405720997 /nfs/dbraw/zinc/72/09/97/405720997.db2.gz GEBIIJJIZXAMDO-INIZCTEOSA-N 1 3 323.868 2.357 20 0 DEADHO COc1cc([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)ccn1 ZINC000559920504 405760639 /nfs/dbraw/zinc/76/06/39/405760639.db2.gz AKOCHJJSHPCYMG-XKQJLSEDSA-N 1 3 319.449 2.119 20 0 DEADHO C[C@H](NC[C@@H]1CCC[NH2+]C1)c1cccc(OCCN(C)C)c1 ZINC000423219137 405727245 /nfs/dbraw/zinc/72/72/45/405727245.db2.gz WFHIWQBLELFKRX-JKSUJKDBSA-N 1 3 305.466 2.277 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](N)c2ccccc2)[C@H](C)C1 ZINC000423246776 405735526 /nfs/dbraw/zinc/73/55/26/405735526.db2.gz PZOCGICESJMERY-QRQLOZEOSA-N 1 3 319.493 2.413 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](N)c2ccccc2)[C@H](C)C1 ZINC000423246776 405735532 /nfs/dbraw/zinc/73/55/32/405735532.db2.gz PZOCGICESJMERY-QRQLOZEOSA-N 1 3 319.493 2.413 20 0 DEADHO O=C(CC[C@H]1CCC[NH2+]1)NCCCN1CCc2ccccc2C1 ZINC000494655396 405738563 /nfs/dbraw/zinc/73/85/63/405738563.db2.gz QFLMGKXHSQTOEW-GOSISDBHSA-N 1 3 315.461 2.083 20 0 DEADHO CC(=O)NCCc1ccc([C@H](C)N[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000423280443 405747732 /nfs/dbraw/zinc/74/77/32/405747732.db2.gz UEULBKOUJKYREB-KKXDTOCCSA-N 1 3 303.450 2.143 20 0 DEADHO C[C@@H](NC[C@@H](C)C[NH3+])c1ccc(OCc2nccn2C)cc1 ZINC000423297188 405751801 /nfs/dbraw/zinc/75/18/01/405751801.db2.gz JBZWPXAUJLSSND-UONOGXRCSA-N 1 3 302.422 2.245 20 0 DEADHO CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H](N)C2CCC2)cc1 ZINC000423307317 405754231 /nfs/dbraw/zinc/75/42/31/405754231.db2.gz VQNUAWOCHYMHJQ-KRWDZBQOSA-N 1 3 319.449 2.473 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CC2(C[NH3+])CC2)C1 ZINC000423361738 405776205 /nfs/dbraw/zinc/77/62/05/405776205.db2.gz MMXZNWDGQBJRKA-GOEBONIOSA-N 1 3 301.434 2.067 20 0 DEADHO C[C@@H]1CCN[C@@H](C(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000423360780 405776515 /nfs/dbraw/zinc/77/65/15/405776515.db2.gz QXODPIVTCOKDGJ-RHSMWYFYSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000423367192 405780333 /nfs/dbraw/zinc/78/03/33/405780333.db2.gz QYKNFUZSONRVEN-KBRIMQKVSA-N 1 3 301.434 2.066 20 0 DEADHO C[C@H]1C[C@H](N(C)C(=O)C2(C)C[NH2+]C2)CCN1Cc1ccccc1 ZINC000423394164 405789273 /nfs/dbraw/zinc/78/92/73/405789273.db2.gz PYEJBINWZRELDT-DOTOQJQBSA-N 1 3 315.461 2.107 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000423445776 405809076 /nfs/dbraw/zinc/80/90/76/405809076.db2.gz NILWDUDXJOTFBE-SFHVURJKSA-N 1 3 315.461 2.352 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000639001925 405812142 /nfs/dbraw/zinc/81/21/42/405812142.db2.gz RJHHLCSHKJEJBZ-ZWKOTPCHSA-N 1 3 315.461 2.075 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CCC[NH2+][C@H]3C)C2)cc1 ZINC000639001662 405813199 /nfs/dbraw/zinc/81/31/99/405813199.db2.gz LSURQSNZKNCCHR-RYQLBKOJSA-N 1 3 315.461 2.074 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)CC3CC[NH2+]CC3)C2)cc1 ZINC000639004823 405817158 /nfs/dbraw/zinc/81/71/58/405817158.db2.gz KYCYCRJSHMKFFH-GOSISDBHSA-N 1 3 315.461 2.075 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CCC[C@H]3C[NH3+])C2)cc1 ZINC000639006048 405818554 /nfs/dbraw/zinc/81/85/54/405818554.db2.gz QSZCFZHGWWBONN-OKZBNKHCSA-N 1 3 315.461 2.061 20 0 DEADHO CCN1C[C@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@@H](C)C1 ZINC000423478563 405820068 /nfs/dbraw/zinc/82/00/68/405820068.db2.gz TXJMPCUHDTVJFP-WQCNXYOZSA-N 1 3 319.468 2.449 20 0 DEADHO [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)c2cccc3c2CNC3)C1 ZINC000639024935 405827024 /nfs/dbraw/zinc/82/70/24/405827024.db2.gz RYMXNKDUVYUFKL-ZDUSSCGKSA-N 1 3 307.397 2.068 20 0 DEADHO C[C@@H]1CCN[C@H](C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000423332140 405766102 /nfs/dbraw/zinc/76/61/02/405766102.db2.gz PABDLMIRKLBVJT-QZWWFDLISA-N 1 3 309.498 2.249 20 0 DEADHO C[C@H]1CCN[C@H](C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000423341389 405769236 /nfs/dbraw/zinc/76/92/36/405769236.db2.gz UHMLWSZREWGUDK-YJBOKZPZSA-N 1 3 315.461 2.287 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(C(F)F)c1 ZINC000530881009 405876561 /nfs/dbraw/zinc/87/65/61/405876561.db2.gz UHNHYEFPQDQCLT-UHFFFAOYSA-N 1 3 313.392 2.190 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@@H](C[NH3+])C(C)C)N2CCCC2)cc1 ZINC000433151713 405880373 /nfs/dbraw/zinc/88/03/73/405880373.db2.gz ZVDGEBOZRCFTAQ-ZWKOTPCHSA-N 1 3 317.477 2.479 20 0 DEADHO C[C@H](CNC(=O)OC(C)(C)C)NC1CC[NH+](CC2CC2)CC1 ZINC000495417875 405893554 /nfs/dbraw/zinc/89/35/54/405893554.db2.gz FHBKOCTYGDZMSL-CYBMUJFWSA-N 1 3 311.470 2.364 20 0 DEADHO CCC[N@H+](C)CC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000530589513 405831781 /nfs/dbraw/zinc/83/17/81/405831781.db2.gz XWTDUOOHRIGHPQ-HNNXBMFYSA-N 1 3 311.857 2.401 20 0 DEADHO CCC[N@@H+](C)CC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000530589513 405831788 /nfs/dbraw/zinc/83/17/88/405831788.db2.gz XWTDUOOHRIGHPQ-HNNXBMFYSA-N 1 3 311.857 2.401 20 0 DEADHO CN1CCNC[C@H]1CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000423509719 405833850 /nfs/dbraw/zinc/83/38/50/405833850.db2.gz IYLIPICQJSWOAA-KRWDZBQOSA-N 1 3 324.557 2.159 20 0 DEADHO Cc1cnc([C@H](C)CNC2CC[NH+](CC(C)(C)O)CC2)s1 ZINC000639046985 405842854 /nfs/dbraw/zinc/84/28/54/405842854.db2.gz YXLQCTOIMSWYEH-GFCCVEGCSA-N 1 3 311.495 2.380 20 0 DEADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459309282 405845498 /nfs/dbraw/zinc/84/54/98/405845498.db2.gz NDUOOXONIKKOLO-JKSUJKDBSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459309282 405845504 /nfs/dbraw/zinc/84/55/04/405845504.db2.gz NDUOOXONIKKOLO-JKSUJKDBSA-N 1 3 324.513 2.090 20 0 DEADHO CCn1cc([C@H]2OCCC[C@@H]2N[C@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000639079796 405868974 /nfs/dbraw/zinc/86/89/74/405868974.db2.gz NENCBXIGULSNKR-QSPRXWTASA-N 1 3 306.454 2.195 20 0 DEADHO CCn1cc([C@H]2OCCC[C@@H]2N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000639079796 405868977 /nfs/dbraw/zinc/86/89/77/405868977.db2.gz NENCBXIGULSNKR-QSPRXWTASA-N 1 3 306.454 2.195 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@@]2(C)CCCCN2)C1 ZINC000423724919 405929636 /nfs/dbraw/zinc/92/96/36/405929636.db2.gz HQJPVTHNRGACGM-UIBIWLFHSA-N 1 3 307.482 2.382 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@@]2(C)CCCCN2)C1 ZINC000423724919 405929637 /nfs/dbraw/zinc/92/96/37/405929637.db2.gz HQJPVTHNRGACGM-UIBIWLFHSA-N 1 3 307.482 2.382 20 0 DEADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000531302254 405940396 /nfs/dbraw/zinc/94/03/96/405940396.db2.gz LJLHSWBOZRVROP-MSOLQXFVSA-N 1 3 315.461 2.061 20 0 DEADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000531302254 405940399 /nfs/dbraw/zinc/94/03/99/405940399.db2.gz LJLHSWBOZRVROP-MSOLQXFVSA-N 1 3 315.461 2.061 20 0 DEADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc(C)ns1 ZINC000639170687 405942607 /nfs/dbraw/zinc/94/26/07/405942607.db2.gz FRTWAZPCRPIZFY-HNNXBMFYSA-N 1 3 310.511 2.299 20 0 DEADHO CCc1ccc(CCC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000531357266 405947412 /nfs/dbraw/zinc/94/74/12/405947412.db2.gz NOWDDYHXNZBYMT-UHFFFAOYSA-N 1 3 319.493 2.133 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000423775524 405957895 /nfs/dbraw/zinc/95/78/95/405957895.db2.gz OZZIKBZZMSUCEM-DOMZBBRYSA-N 1 3 311.857 2.447 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000457709823 405964335 /nfs/dbraw/zinc/96/43/35/405964335.db2.gz NDMWJBVMMDMANW-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO CCN(CCNC(=O)c1ccc(CC[NH+](C)C)cc1)C1CC1 ZINC000561220693 405908205 /nfs/dbraw/zinc/90/82/05/405908205.db2.gz TXUCZLNIHKGUMY-UHFFFAOYSA-N 1 3 303.450 2.005 20 0 DEADHO COc1ccc([C@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1Cl ZINC000532515531 406081938 /nfs/dbraw/zinc/08/19/38/406081938.db2.gz DXDVHUBDCHCUOF-LBPRGKRZSA-N 1 3 312.841 2.456 20 0 DEADHO CCOC(=O)c1cc(CNCC[C@@H]2CCC[N@H+](C)C2)[nH]c1C ZINC000459783965 406044532 /nfs/dbraw/zinc/04/45/32/406044532.db2.gz NPKMSWYRUKYVOJ-AWEZNQCLSA-N 1 3 307.438 2.321 20 0 DEADHO CCOC(=O)c1cc(CNCC[C@@H]2CCC[N@@H+](C)C2)[nH]c1C ZINC000459783965 406044533 /nfs/dbraw/zinc/04/45/33/406044533.db2.gz NPKMSWYRUKYVOJ-AWEZNQCLSA-N 1 3 307.438 2.321 20 0 DEADHO CCOC1CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634643501 406205208 /nfs/dbraw/zinc/20/52/08/406205208.db2.gz CRNJDRUURAVBNS-LJQANCHMSA-N 1 3 318.461 2.124 20 0 DEADHO CCOC1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634643501 406205211 /nfs/dbraw/zinc/20/52/11/406205211.db2.gz CRNJDRUURAVBNS-LJQANCHMSA-N 1 3 318.461 2.124 20 0 DEADHO c1cc(N2CCCN(CCO[C@@H]3CCCCO3)CC2)cc[nH+]1 ZINC000639705212 406213690 /nfs/dbraw/zinc/21/36/90/406213690.db2.gz UWSCQOYIBFPDKZ-QGZVFWFLSA-N 1 3 305.422 2.137 20 0 DEADHO COC(=O)c1cc2c(o1)c(OC)ccc2CN[C@@H](C)C[C@H](C)[NH3+] ZINC000519606042 406220593 /nfs/dbraw/zinc/22/05/93/406220593.db2.gz JXIBVXBFJSUZGJ-QWRGUYRKSA-N 1 3 320.389 2.443 20 0 DEADHO Cc1ccc(CCNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000634699083 406230552 /nfs/dbraw/zinc/23/05/52/406230552.db2.gz FFDAZAZOAKCTMQ-IBGZPJMESA-N 1 3 314.429 2.357 20 0 DEADHO Cc1ccc(CCNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000634699083 406230559 /nfs/dbraw/zinc/23/05/59/406230559.db2.gz FFDAZAZOAKCTMQ-IBGZPJMESA-N 1 3 314.429 2.357 20 0 DEADHO CC[C@@H]1CN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCCO1 ZINC000639623929 406175158 /nfs/dbraw/zinc/17/51/58/406175158.db2.gz VQRIDCAFXSHCOY-MOPGFXCFSA-N 1 3 318.461 2.124 20 0 DEADHO CC[C@@H]1CN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCCO1 ZINC000639623929 406175162 /nfs/dbraw/zinc/17/51/62/406175162.db2.gz VQRIDCAFXSHCOY-MOPGFXCFSA-N 1 3 318.461 2.124 20 0 DEADHO C[C@@H]1CCC[C@@H](NC(=O)CN2CCC3(C2)CC[NH+](C)CC3)[C@H]1C ZINC000639762515 406241709 /nfs/dbraw/zinc/24/17/09/406241709.db2.gz LVMOYQWAAVDVDD-IXDOHACOSA-N 1 3 321.509 2.345 20 0 DEADHO O[C@@H]1CC[N@H+](Cc2ccccc2CNC/C=C\c2ccncc2)C1 ZINC000487555660 406246883 /nfs/dbraw/zinc/24/68/83/406246883.db2.gz GWCANAHWFKXMCN-HZQHCPKGSA-N 1 3 323.440 2.451 20 0 DEADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CNC/C=C\c2ccncc2)C1 ZINC000487555660 406246886 /nfs/dbraw/zinc/24/68/86/406246886.db2.gz GWCANAHWFKXMCN-HZQHCPKGSA-N 1 3 323.440 2.451 20 0 DEADHO CC[NH+](CC)CCCNC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000487540688 406243866 /nfs/dbraw/zinc/24/38/66/406243866.db2.gz PPGCELAAVNGHSF-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO [NH3+]CCC1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000569468561 406257903 /nfs/dbraw/zinc/25/79/03/406257903.db2.gz LKUCZGJBOPGSQA-UHFFFAOYSA-N 1 3 315.461 2.483 20 0 DEADHO C[C@H](C[NH2+]C[C@@H](O)COc1ccc(F)cc1)CN1CCCCC1 ZINC000569712490 406294234 /nfs/dbraw/zinc/29/42/34/406294234.db2.gz HQCZNAZICCHLBV-NVXWUHKLSA-N 1 3 324.440 2.277 20 0 DEADHO CCCC[N@H+](C)CCNC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000488958424 406364577 /nfs/dbraw/zinc/36/45/77/406364577.db2.gz XDRVCTFXBVCEGE-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO CCCC[N@@H+](C)CCNC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000488958424 406364583 /nfs/dbraw/zinc/36/45/83/406364583.db2.gz XDRVCTFXBVCEGE-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO CCC[N@H+](CC)CCNC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000489275346 406388234 /nfs/dbraw/zinc/38/82/34/406388234.db2.gz GZKJQDAMPIVCLT-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO CCC[N@@H+](CC)CCNC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000489275346 406388238 /nfs/dbraw/zinc/38/82/38/406388238.db2.gz GZKJQDAMPIVCLT-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO N[C@@H]1CCC[C@@H]([NH2+]CCCCn2cc(Br)cn2)C1 ZINC000570410939 406390372 /nfs/dbraw/zinc/39/03/72/406390372.db2.gz RULZZTBNAWPALH-CHWSQXEVSA-N 1 3 315.259 2.285 20 0 DEADHO CC[C@@](C)([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccc(F)cc1 ZINC000634998451 406392646 /nfs/dbraw/zinc/39/26/46/406392646.db2.gz FXOIWHQPPPWOSM-KBXCAEBGSA-N 1 3 321.440 2.238 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)N2CCCC2)cc1 ZINC000522146643 406394875 /nfs/dbraw/zinc/39/48/75/406394875.db2.gz QDLHNEPKRKOXMC-MSOLQXFVSA-N 1 3 315.461 2.200 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)N2CCCC2)cc1 ZINC000522146643 406394878 /nfs/dbraw/zinc/39/48/78/406394878.db2.gz QDLHNEPKRKOXMC-MSOLQXFVSA-N 1 3 315.461 2.200 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](C3CCC3)CC2)C1 ZINC000635002759 406395181 /nfs/dbraw/zinc/39/51/81/406395181.db2.gz YUZDVKOCAUKZOU-WBVHZDCISA-N 1 3 307.482 2.086 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](C3CCC3)CC2)C1 ZINC000635002759 406395185 /nfs/dbraw/zinc/39/51/85/406395185.db2.gz YUZDVKOCAUKZOU-WBVHZDCISA-N 1 3 307.482 2.086 20 0 DEADHO c1cnc2c(c1)CCC[C@H]2Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635007226 406396763 /nfs/dbraw/zinc/39/67/63/406396763.db2.gz FIWAZKCOWIGVLZ-MRXNPFEDSA-N 1 3 309.417 2.376 20 0 DEADHO CC[N@H+](C)C[C@H](O)CN[C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000570460852 406396989 /nfs/dbraw/zinc/39/69/89/406396989.db2.gz HEIISEQRROUYEY-KURKYZTESA-N 1 3 320.477 2.273 20 0 DEADHO CC[N@@H+](C)C[C@H](O)CN[C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000570460852 406396996 /nfs/dbraw/zinc/39/69/96/406396996.db2.gz HEIISEQRROUYEY-KURKYZTESA-N 1 3 320.477 2.273 20 0 DEADHO C[NH+](C)CC[C@H](NC(=O)[C@H]1CNCc2ccccc21)C(C)(C)C ZINC000570573162 406410920 /nfs/dbraw/zinc/41/09/20/406410920.db2.gz HWBJRSNBFXCVFN-IRXDYDNUSA-N 1 3 317.477 2.356 20 0 DEADHO CCC1([NH+]2CCCC2)CCN(C(=O)NC[C@@H]2CCCN2C)CC1 ZINC000633084352 406375738 /nfs/dbraw/zinc/37/57/38/406375738.db2.gz XWRNFDSSYCJJTH-INIZCTEOSA-N 1 3 322.497 2.131 20 0 DEADHO CO[C@]1(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)CCOC1 ZINC000638021326 406527737 /nfs/dbraw/zinc/52/77/37/406527737.db2.gz CMVYXVYZOXARDY-MSOLQXFVSA-N 1 3 310.482 2.380 20 0 DEADHO CC(C)CC[C@H](N)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000638053010 406545635 /nfs/dbraw/zinc/54/56/35/406545635.db2.gz DYECVOWNCPHJNI-KRWDZBQOSA-N 1 3 305.466 2.388 20 0 DEADHO CC(C)CC[C@H](N)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000638053010 406545642 /nfs/dbraw/zinc/54/56/42/406545642.db2.gz DYECVOWNCPHJNI-KRWDZBQOSA-N 1 3 305.466 2.388 20 0 DEADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC000635412214 406525720 /nfs/dbraw/zinc/52/57/20/406525720.db2.gz IPFSRJXWUKSPIK-JKSUJKDBSA-N 1 3 307.482 2.099 20 0 DEADHO CO[C@](C)(C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1)C1CC1 ZINC000638151552 406595512 /nfs/dbraw/zinc/59/55/12/406595512.db2.gz FTDVZBSRWSAXGY-LJQANCHMSA-N 1 3 323.525 2.292 20 0 DEADHO CC[C@](C)(C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1)OC ZINC000638151496 406595713 /nfs/dbraw/zinc/59/57/13/406595713.db2.gz DMZNYTALKFQDFW-GOSISDBHSA-N 1 3 311.514 2.292 20 0 DEADHO c1[nH]nc2c1CC[C@@H](N[C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000572111813 406606629 /nfs/dbraw/zinc/60/66/29/406606629.db2.gz VMTKADJBCGOAKP-DKSSEZFCSA-N 1 3 324.428 2.113 20 0 DEADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000635527568 406575985 /nfs/dbraw/zinc/57/59/85/406575985.db2.gz KCNFOYXLUIYLLP-MCIONIFRSA-N 1 3 322.478 2.016 20 0 DEADHO CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000635690031 406682674 /nfs/dbraw/zinc/68/26/74/406682674.db2.gz OPQIKMGBDXQOSR-ZWKOTPCHSA-N 1 3 315.461 2.061 20 0 DEADHO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000635690031 406682679 /nfs/dbraw/zinc/68/26/79/406682679.db2.gz OPQIKMGBDXQOSR-ZWKOTPCHSA-N 1 3 315.461 2.061 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](CN[C@H](c2cn[nH]n2)c2ccc(F)cc2)C1 ZINC000572510859 406684989 /nfs/dbraw/zinc/68/49/89/406684989.db2.gz XZNCVQZRNLVHMM-XFJVYGCCSA-N 1 3 303.385 2.140 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)CC1([NH3+])CCC1 ZINC000645896322 406689077 /nfs/dbraw/zinc/68/90/77/406689077.db2.gz FLBFYNMWISUYDF-UHFFFAOYSA-N 1 3 303.450 2.368 20 0 DEADHO CC(C)[C@H]1CCC[C@H]1[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000646215677 406818202 /nfs/dbraw/zinc/81/82/02/406818202.db2.gz MQMOGEDWUGHEIM-IAGOWNOFSA-N 1 3 309.498 2.393 20 0 DEADHO C[NH+](C)CCCOc1ccc(NC(=O)[C@@H](N)C2CCC2)cc1 ZINC000646279068 406833533 /nfs/dbraw/zinc/83/35/33/406833533.db2.gz WGLYVWIBCMWMJB-INIZCTEOSA-N 1 3 305.422 2.083 20 0 DEADHO CC1(C(=O)N2CC[C@@H](C[NH3+])C2)CCN(Cc2ccccc2)CC1 ZINC000646670153 406891914 /nfs/dbraw/zinc/89/19/14/406891914.db2.gz GIIQAPIITFPETK-KRWDZBQOSA-N 1 3 315.461 2.096 20 0 DEADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H]2CO[C@@H](C)C2)CC1 ZINC000647172156 406964523 /nfs/dbraw/zinc/96/45/23/406964523.db2.gz KPCSSONNBKBBRG-QFBILLFUSA-N 1 3 317.477 2.091 20 0 DEADHO CC[C@@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)CC[C@H]1[NH3+] ZINC000647009521 406940478 /nfs/dbraw/zinc/94/04/78/406940478.db2.gz FETPZSPSHJKAFT-SJLPKXTDSA-N 1 3 315.461 2.482 20 0 DEADHO Cc1ccc([C@H](CCn2cncn2)[NH2+][C@@H]2CCN[C@H](C)C2)cc1 ZINC000643525781 407010554 /nfs/dbraw/zinc/01/05/54/407010554.db2.gz CNWZNNDFVZCWRN-NXHRZFHOSA-N 1 3 313.449 2.448 20 0 DEADHO FC(F)CN1CCC(N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000643459977 407003077 /nfs/dbraw/zinc/00/30/77/407003077.db2.gz FXJJBFRAPZAOKD-RBSFLKMASA-N 1 3 301.425 2.226 20 0 DEADHO COc1cccc([C@H]2C[C@H](N[C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])C2)c1 ZINC000643493365 407007651 /nfs/dbraw/zinc/00/76/51/407007651.db2.gz JZNCTKAXRPVJJR-MDOOTNJJSA-N 1 3 304.434 2.283 20 0 DEADHO COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)N)C2)c1 ZINC000643493365 407007652 /nfs/dbraw/zinc/00/76/52/407007652.db2.gz JZNCTKAXRPVJJR-MDOOTNJJSA-N 1 3 304.434 2.283 20 0 DEADHO CC(C)[C@@H]([NH3+])CCN(C)Cc1ccc(OCCN(C)C)cc1 ZINC000647506231 407008566 /nfs/dbraw/zinc/00/85/66/407008566.db2.gz VEKSBIYKUODHAM-SFHVURJKSA-N 1 3 307.482 2.432 20 0 DEADHO CC(C)N(C(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)C(C)C ZINC000647976753 407091989 /nfs/dbraw/zinc/09/19/89/407091989.db2.gz TUISLCWQANAYDH-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1CCCC1CC[NH2+]CC1 ZINC000647889453 407068681 /nfs/dbraw/zinc/06/86/81/407068681.db2.gz SDLRZBIRESKEDL-ROUUACIJSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1cc(CN(C)C)cc(NC(=O)[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000648158263 407128362 /nfs/dbraw/zinc/12/83/62/407128362.db2.gz REFHHRSONVBGEK-CQSZACIVSA-N 1 3 311.376 2.240 20 0 DEADHO CC(C)([NH3+])CCC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000648180203 407132187 /nfs/dbraw/zinc/13/21/87/407132187.db2.gz GTTCHODOCDTVRL-DLBZAZTESA-N 1 3 315.461 2.237 20 0 DEADHO Cc1ccccc1CN1CCC(NC(=O)[C@H]2CC[NH2+][C@@H]2C)CC1 ZINC000645564934 407294340 /nfs/dbraw/zinc/29/43/40/407294340.db2.gz KICQHJINPJAMCI-QAPCUYQASA-N 1 3 315.461 2.074 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000131975119 196215763 /nfs/dbraw/zinc/21/57/63/196215763.db2.gz KWWXQOKWQOXLIZ-KRWDZBQOSA-N 1 3 309.498 2.299 20 0 DEADHO C[C@H](Cn1cc(Br)cn1)NCC(C)(C)C[NH+](C)C ZINC000132137973 196229514 /nfs/dbraw/zinc/22/95/14/196229514.db2.gz GZTDTIXQJVPLGI-LLVKDONJSA-N 1 3 317.275 2.212 20 0 DEADHO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)CN(C)C ZINC000132172494 196232419 /nfs/dbraw/zinc/23/24/19/196232419.db2.gz IFELYSDUPSDVRI-WMZOPIPTSA-N 1 3 318.509 2.469 20 0 DEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)CN(C)C ZINC000132172297 196232471 /nfs/dbraw/zinc/23/24/71/196232471.db2.gz IFELYSDUPSDVRI-AEFFLSMTSA-N 1 3 318.509 2.469 20 0 DEADHO C[C@@H]1CCCCN1CCNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000372979180 287269756 /nfs/dbraw/zinc/26/97/56/287269756.db2.gz LMFZCUGMSJIZHR-KLAILNCOSA-N 1 3 322.497 2.177 20 0 DEADHO CC[C@@]1(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)CCC[NH2+]1 ZINC000134367786 196381509 /nfs/dbraw/zinc/38/15/09/196381509.db2.gz NNUBWPOBGRTKDG-WMZOPIPTSA-N 1 3 303.450 2.458 20 0 DEADHO Cc1cncc(CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000189911997 225068628 /nfs/dbraw/zinc/06/86/28/225068628.db2.gz HIBVWCOGRIMFAA-UHFFFAOYSA-N 1 3 303.450 2.467 20 0 DEADHO c1ccc2c(c1)cncc2N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000297462006 227199154 /nfs/dbraw/zinc/19/91/54/227199154.db2.gz QXGWWBSBQRDUFQ-UHFFFAOYSA-N 1 3 310.445 2.356 20 0 DEADHO CC[C@H](C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[NH+](C)C ZINC000155245136 287487634 /nfs/dbraw/zinc/48/76/34/287487634.db2.gz BKXYGLMSQGFVMM-WMLDXEAASA-N 1 3 318.465 2.063 20 0 DEADHO CC(C)[NH2+]CCCNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000572467195 292620789 /nfs/dbraw/zinc/62/07/89/292620789.db2.gz NUPGFHCBJKRKKX-WBVHZDCISA-N 1 3 320.481 2.365 20 0 DEADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCCNCC1)c1ccccc1 ZINC000417704158 229073289 /nfs/dbraw/zinc/07/32/89/229073289.db2.gz LXZXCGRBGPBWMG-OAHLLOKOSA-N 1 3 318.465 2.121 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418587424 229395842 /nfs/dbraw/zinc/39/58/42/229395842.db2.gz RAXMOVQJTAOREJ-IRXDYDNUSA-N 1 3 324.513 2.410 20 0 DEADHO C[C@@H]1C[C@@H](C)N(CCC(=O)N2CCc3ccccc32)C[C@@H]1C[NH3+] ZINC000422639664 230161885 /nfs/dbraw/zinc/16/18/85/230161885.db2.gz UCLCJMWCXSNZBV-INMHGKMJSA-N 1 3 315.461 2.271 20 0 DEADHO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)N2CCc3ccccc32)C[C@@H]1CN ZINC000422639664 230161890 /nfs/dbraw/zinc/16/18/90/230161890.db2.gz UCLCJMWCXSNZBV-INMHGKMJSA-N 1 3 315.461 2.271 20 0 DEADHO C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)N2CCc3ccccc32)C[C@@H]1CN ZINC000422639664 230161893 /nfs/dbraw/zinc/16/18/93/230161893.db2.gz UCLCJMWCXSNZBV-INMHGKMJSA-N 1 3 315.461 2.271 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccccc1N1CCOCC1 ZINC000422696141 230167566 /nfs/dbraw/zinc/16/75/66/230167566.db2.gz QVENNSDEJJOTNH-NVXWUHKLSA-N 1 3 303.450 2.130 20 0 DEADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000422720545 230175968 /nfs/dbraw/zinc/17/59/68/230175968.db2.gz SQVTVYAFRAOXAB-GDBMZVCRSA-N 1 3 324.428 2.305 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(CN2CCCC2=O)cc1 ZINC000422722502 230176209 /nfs/dbraw/zinc/17/62/09/230176209.db2.gz YCYYQZXUSKKVRJ-ZWKOTPCHSA-N 1 3 315.461 2.416 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000422897615 230267855 /nfs/dbraw/zinc/26/78/55/230267855.db2.gz CHFKSVROLLJQMO-HBNTYKKESA-N 1 3 321.248 2.449 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCc1ccc(F)cc1Cl ZINC000422957937 230293542 /nfs/dbraw/zinc/29/35/42/230293542.db2.gz WEPPNJOBVSZCDI-PSOPSSQASA-N 1 3 300.805 2.364 20 0 DEADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC000422957937 230293545 /nfs/dbraw/zinc/29/35/45/230293545.db2.gz WEPPNJOBVSZCDI-PSOPSSQASA-N 1 3 300.805 2.364 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCc1csc(C(C)(C)C)n1 ZINC000423020835 230319249 /nfs/dbraw/zinc/31/92/49/230319249.db2.gz CWSCWYOORIGSCA-YUTCNCBUSA-N 1 3 311.495 2.325 20 0 DEADHO O[C@]1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[C@@H](C(F)(F)F)C1 ZINC000423059620 230331361 /nfs/dbraw/zinc/33/13/61/230331361.db2.gz GDDHLNXOWPXUBD-SYCZCVCYSA-N 1 3 306.372 2.343 20 0 DEADHO Cc1cccc(C[C@H](CO)N[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000423062289 230334303 /nfs/dbraw/zinc/33/43/03/230334303.db2.gz SUZFCZCKSAGMGN-AHRSYUTCSA-N 1 3 312.457 2.447 20 0 DEADHO C[C@H](CC(=O)Nc1ccc2c(c1)CNCC2)[C@H]1CCC[NH2+]C1 ZINC000429337039 533686080 /nfs/dbraw/zinc/68/60/80/533686080.db2.gz SFMQIDUKUBQMNP-HIFRSBDPSA-N 1 3 301.434 2.297 20 0 DEADHO CS[C@@H](CO)[C@H](C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000154178448 424861230 /nfs/dbraw/zinc/86/12/30/424861230.db2.gz YZJOUCJCDRGDMW-BBRMVZONSA-N 1 3 300.512 2.486 20 0 DEADHO CS[C@@H](CO)[C@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000154178448 424861231 /nfs/dbraw/zinc/86/12/31/424861231.db2.gz YZJOUCJCDRGDMW-BBRMVZONSA-N 1 3 300.512 2.486 20 0 DEADHO C[NH+](C)CCOc1ccc(CNC2(CF)CCOCC2)cc1 ZINC000648712392 424896535 /nfs/dbraw/zinc/89/65/35/424896535.db2.gz BWCVZYAQDFSGQW-UHFFFAOYSA-N 1 3 310.413 2.235 20 0 DEADHO C[C@@H](c1ccc(OC(F)F)cc1)N(C)CCN1CC[NH2+]CC1 ZINC000316119996 424898011 /nfs/dbraw/zinc/89/80/11/424898011.db2.gz PDMAMQLLTVRUAF-ZDUSSCGKSA-N 1 3 313.392 2.186 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648731494 424899881 /nfs/dbraw/zinc/89/98/81/424899881.db2.gz ZYKGGKVZDZKUGE-TZMCWYRMSA-N 1 3 305.422 2.036 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648731494 424899885 /nfs/dbraw/zinc/89/98/85/424899885.db2.gz ZYKGGKVZDZKUGE-TZMCWYRMSA-N 1 3 305.422 2.036 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1)N1CCCCC1 ZINC000649370734 425003298 /nfs/dbraw/zinc/00/32/98/425003298.db2.gz WKLGPVZAEGSQOU-HOTGVXAUSA-N 1 3 307.482 2.288 20 0 DEADHO COc1ccc(Cl)c(N2CCN(CC3CC[NH2+]CC3)CC2)c1 ZINC000650497654 425006703 /nfs/dbraw/zinc/00/67/03/425006703.db2.gz RFDQYMXCKXCCDE-UHFFFAOYSA-N 1 3 323.868 2.470 20 0 DEADHO [NH3+][C@H]1C[C@@H](C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000649293840 424985806 /nfs/dbraw/zinc/98/58/06/424985806.db2.gz LMBRGWPSMPNTBR-BBWFWOEESA-N 1 3 301.434 2.067 20 0 DEADHO CC(C)n1nccc1CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708327 425039959 /nfs/dbraw/zinc/03/99/59/425039959.db2.gz XWEWTQDTMPIOPT-ZOBUZTSGSA-N 1 3 306.454 2.182 20 0 DEADHO [NH3+]CCC1CCN(Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000650721097 425042166 /nfs/dbraw/zinc/04/21/66/425042166.db2.gz QCCKKAIJZCJLEF-UHFFFAOYSA-N 1 3 301.434 2.140 20 0 DEADHO [NH3+]Cc1ccc(CNC2CCN(CC(F)(F)F)CC2)c(F)c1 ZINC000650718015 425043205 /nfs/dbraw/zinc/04/32/05/425043205.db2.gz UTGWHZMTOIDLNC-UHFFFAOYSA-N 1 3 319.346 2.401 20 0 DEADHO CCN(C(=O)NCC1([NH+](C)C)CCCCCC1)[C@H]1CCN(C)C1 ZINC000663475426 425167399 /nfs/dbraw/zinc/16/73/99/425167399.db2.gz XJYQIRTWHBGGFQ-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC12CC(C1)CN2 ZINC000663498324 425171883 /nfs/dbraw/zinc/17/18/83/425171883.db2.gz OROPBKHJVIBJBA-CSLYMUCUSA-N 1 3 304.434 2.367 20 0 DEADHO CCCN(C(=O)N[C@H](C)C[NH+]1CCC(C)CC1)[C@@H]1CCN(C)C1 ZINC000666753361 425174637 /nfs/dbraw/zinc/17/46/37/425174637.db2.gz USYVRWUSQRGETP-IAGOWNOFSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000666761317 425177695 /nfs/dbraw/zinc/17/76/95/425177695.db2.gz VVULNVWWMHSTAM-IAGOWNOFSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000666761317 425177699 /nfs/dbraw/zinc/17/76/99/425177699.db2.gz VVULNVWWMHSTAM-IAGOWNOFSA-N 1 3 324.513 2.090 20 0 DEADHO c1cc([C@@H]2CNCCO2)ccc1N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000656792074 425190301 /nfs/dbraw/zinc/19/03/01/425190301.db2.gz IVGYIDKFLIRNQC-ATLSCFEFSA-N 1 3 301.434 2.148 20 0 DEADHO Cc1cccc(OC[C@H](O)C[N@H+]2CCC[C@]3(CCN(C)C3)C2)c1 ZINC000660653969 425194340 /nfs/dbraw/zinc/19/43/40/425194340.db2.gz DXZJHNRDMKYJSO-IEBWSBKVSA-N 1 3 318.461 2.152 20 0 DEADHO Cc1cccc(OC[C@H](O)C[N@@H+]2CCC[C@]3(CCN(C)C3)C2)c1 ZINC000660653969 425194344 /nfs/dbraw/zinc/19/43/44/425194344.db2.gz DXZJHNRDMKYJSO-IEBWSBKVSA-N 1 3 318.461 2.152 20 0 DEADHO CC(C)[NH+]1CCC(NC[C@]2(CO)CCc3ccccc32)CC1 ZINC000651884709 425150713 /nfs/dbraw/zinc/15/07/13/425150713.db2.gz OGSYZIZFHQNRRL-IBGZPJMESA-N 1 3 302.462 2.325 20 0 DEADHO C[C@H](NCC1CC[NH+](C2CCOCC2)CC1)c1cnccn1 ZINC000656677769 425157811 /nfs/dbraw/zinc/15/78/11/425157811.db2.gz PNGXTPOXFFJATQ-AWEZNQCLSA-N 1 3 304.438 2.018 20 0 DEADHO CC(C)N(C)C[C@H](O)C[N@H+](C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000660555383 425157964 /nfs/dbraw/zinc/15/79/64/425157964.db2.gz YHDWWAQYFAKMFQ-LNLFQRSKSA-N 1 3 322.493 2.174 20 0 DEADHO CC(C)N(C)C[C@H](O)C[N@@H+](C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000660555383 425157969 /nfs/dbraw/zinc/15/79/69/425157969.db2.gz YHDWWAQYFAKMFQ-LNLFQRSKSA-N 1 3 322.493 2.174 20 0 DEADHO CN(c1ccccc1CN[C@@H](CO)CCF)C1CC[NH+](C)CC1 ZINC000652018228 425162152 /nfs/dbraw/zinc/16/21/52/425162152.db2.gz NSZISYZHHAQAQA-MRXNPFEDSA-N 1 3 323.456 2.027 20 0 DEADHO CCN(C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCN(C)C1 ZINC000663799628 425238853 /nfs/dbraw/zinc/23/88/53/425238853.db2.gz DUJCHIIKZHHEPQ-TWMKSMIVSA-N 1 3 324.513 2.088 20 0 DEADHO CCN(C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCN(C)C1 ZINC000663799628 425238857 /nfs/dbraw/zinc/23/88/57/425238857.db2.gz DUJCHIIKZHHEPQ-TWMKSMIVSA-N 1 3 324.513 2.088 20 0 DEADHO C[NH+](C)C1(CNC(=O)NC[C@@H]2CCN2C(C)(C)C)CCCC1 ZINC000660820202 425243976 /nfs/dbraw/zinc/24/39/76/425243976.db2.gz BBWFCTYKDBMHHV-AWEZNQCLSA-N 1 3 310.486 2.033 20 0 DEADHO COc1cccc(NC(=O)CC[N@@H+]2CCC[C@H](C)[C@H]2CCN)c1 ZINC000652354627 425247217 /nfs/dbraw/zinc/24/72/17/425247217.db2.gz CZUNISJJUBEKBE-WMLDXEAASA-N 1 3 319.449 2.473 20 0 DEADHO COc1cccc(NC(=O)CC[N@H+]2CCC[C@H](C)[C@H]2CCN)c1 ZINC000652354627 425247220 /nfs/dbraw/zinc/24/72/20/425247220.db2.gz CZUNISJJUBEKBE-WMLDXEAASA-N 1 3 319.449 2.473 20 0 DEADHO COc1cccc(NC(=O)CCN2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000652354627 425247222 /nfs/dbraw/zinc/24/72/22/425247222.db2.gz CZUNISJJUBEKBE-WMLDXEAASA-N 1 3 319.449 2.473 20 0 DEADHO CCCn1nccc1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000657366865 425318930 /nfs/dbraw/zinc/31/89/30/425318930.db2.gz LHEOQQGRHIKJMC-HOTGVXAUSA-N 1 3 308.470 2.272 20 0 DEADHO CCc1cc(NCc2ccc(CN3CC[C@H](O)C3)cc2)cc[nH+]1 ZINC000664238162 425340580 /nfs/dbraw/zinc/34/05/80/425340580.db2.gz XOAPPIHKHSEJRL-IBGZPJMESA-N 1 3 311.429 2.245 20 0 DEADHO CCCC[N@H+](C)CCNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654440609 425353261 /nfs/dbraw/zinc/35/32/61/425353261.db2.gz OTNAEWMFXRZSAE-HOTGVXAUSA-N 1 3 310.486 2.034 20 0 DEADHO CCCC[N@@H+](C)CCNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654440609 425353263 /nfs/dbraw/zinc/35/32/63/425353263.db2.gz OTNAEWMFXRZSAE-HOTGVXAUSA-N 1 3 310.486 2.034 20 0 DEADHO CCC[NH+]1CCC(NC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000654460082 425359498 /nfs/dbraw/zinc/35/94/98/425359498.db2.gz KXABCFOFHYBCHV-SJORKVTESA-N 1 3 322.497 2.177 20 0 DEADHO CN(CCCNC(=O)[C@@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000653106852 425405255 /nfs/dbraw/zinc/40/52/55/425405255.db2.gz OGDGXDDTHUOXHR-QGZVFWFLSA-N 1 3 303.450 2.014 20 0 DEADHO Cc1ncsc1CNCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657594700 425371471 /nfs/dbraw/zinc/37/14/71/425371471.db2.gz KLIDNBIVYOUGAT-MRXNPFEDSA-N 1 3 317.458 2.308 20 0 DEADHO Cc1ncsc1CNCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657594700 425371476 /nfs/dbraw/zinc/37/14/76/425371476.db2.gz KLIDNBIVYOUGAT-MRXNPFEDSA-N 1 3 317.458 2.308 20 0 DEADHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@@H]3CCCSC3)cc2)C1 ZINC000657597690 425373225 /nfs/dbraw/zinc/37/32/25/425373225.db2.gz WOGZUXNTVMVRNV-IAGOWNOFSA-N 1 3 306.475 2.238 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000654524056 425374311 /nfs/dbraw/zinc/37/43/11/425374311.db2.gz RCCCXKNDOHWNMS-OAHLLOKOSA-N 1 3 322.497 2.153 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000654524056 425374314 /nfs/dbraw/zinc/37/43/14/425374314.db2.gz RCCCXKNDOHWNMS-OAHLLOKOSA-N 1 3 322.497 2.153 20 0 DEADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000664409946 425378771 /nfs/dbraw/zinc/37/87/71/425378771.db2.gz ROIJXRFVEKHYEB-SJORKVTESA-N 1 3 324.513 2.280 20 0 DEADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000664409944 425379033 /nfs/dbraw/zinc/37/90/33/425379033.db2.gz ROIJXRFVEKHYEB-IRXDYDNUSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCn3nccc32)C[C@@H](C)O1 ZINC000657920085 425417353 /nfs/dbraw/zinc/41/73/53/425417353.db2.gz WADIDDUOLIDJRM-BZUAXINKSA-N 1 3 306.454 2.197 20 0 DEADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC[N@@H+]1C ZINC000654729896 425425453 /nfs/dbraw/zinc/42/54/53/425425453.db2.gz XPVGESOJKCSQNL-WCXIOVBPSA-N 1 3 322.497 2.127 20 0 DEADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC[N@H+]1C ZINC000654729896 425425456 /nfs/dbraw/zinc/42/54/56/425425456.db2.gz XPVGESOJKCSQNL-WCXIOVBPSA-N 1 3 322.497 2.127 20 0 DEADHO C[NH+](C)CCCOc1cnccc1CN[C@H]1COC2(CCC2)C1 ZINC000658014874 425427483 /nfs/dbraw/zinc/42/74/83/425427483.db2.gz ZXVNNBMAEWHHCQ-MRXNPFEDSA-N 1 3 319.449 2.213 20 0 DEADHO C[NH2+]Cc1ccccc1CNC(=O)[C@H](C)N1CCCCCC1 ZINC000653214482 425435618 /nfs/dbraw/zinc/43/56/18/425435618.db2.gz XGPLXJIMIKYNNW-HNNXBMFYSA-N 1 3 303.450 2.287 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCc2ccc(C[NH3+])cc2F)c1 ZINC000653224682 425436846 /nfs/dbraw/zinc/43/68/46/425436846.db2.gz ZWPDPJPDAPZTJD-UHFFFAOYSA-N 1 3 315.392 2.276 20 0 DEADHO COc1cc([C@@H](C)N[C@@H](C)CN(C)CCC[NH+](C)C)ccn1 ZINC000658108781 425440484 /nfs/dbraw/zinc/44/04/84/425440484.db2.gz SBBQXFLBEIONRJ-LSDHHAIUSA-N 1 3 308.470 2.013 20 0 DEADHO C[C@H]([NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1)C1CCOCC1 ZINC000658138353 425444714 /nfs/dbraw/zinc/44/47/14/425444714.db2.gz JHDMTTZYJGJVLV-HNAYVOBHSA-N 1 3 318.461 2.158 20 0 DEADHO CC(C)(C)N1C[C@@H](C[NH2+]C2CCN(C(C)(C)C)CC2)CC1=O ZINC000658303089 425470177 /nfs/dbraw/zinc/47/01/77/425470177.db2.gz PVRVRXYSBFNKHM-CQSZACIVSA-N 1 3 309.498 2.486 20 0 DEADHO Fc1ccc([C@@H]2CCNC[C@@H]2[NH2+]C2CCN(C3CC3)CC2)cc1 ZINC000665258505 425530832 /nfs/dbraw/zinc/53/08/32/425530832.db2.gz BGRRMOMMOOGHOM-OALUTQOASA-N 1 3 317.452 2.488 20 0 DEADHO C[C@H](NCC12CC(C1)C[NH2+]2)c1cccc(OCCN(C)C)c1 ZINC000665277608 425534292 /nfs/dbraw/zinc/53/42/92/425534292.db2.gz GFBZXDLCSHZNRK-SYJJWHGVSA-N 1 3 303.450 2.030 20 0 DEADHO N[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(COC[C@@H]2CCCO2)c1 ZINC000665294214 425540014 /nfs/dbraw/zinc/54/00/14/425540014.db2.gz KJNAMLOIKXZHTA-RCCFBDPRSA-N 1 3 304.434 2.352 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000664935884 425482216 /nfs/dbraw/zinc/48/22/16/425482216.db2.gz MZDGDSWYAQKNGK-JKSUJKDBSA-N 1 3 312.502 2.233 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000664935884 425482219 /nfs/dbraw/zinc/48/22/19/425482219.db2.gz MZDGDSWYAQKNGK-JKSUJKDBSA-N 1 3 312.502 2.233 20 0 DEADHO CC[C@@H]1C[C@H]1NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000655050396 425490974 /nfs/dbraw/zinc/49/09/74/425490974.db2.gz YTAGBPCWCMFUHL-RHSMWYFYSA-N 1 3 307.482 2.097 20 0 DEADHO CC1CCC(N2CCN(C(=O)[C@H]3C[C@]34CCC[NH2+]C4)CC2)CC1 ZINC000655448362 425569693 /nfs/dbraw/zinc/56/96/93/425569693.db2.gz GIJNMRNAIGTHPI-WXVPWVKJSA-N 1 3 319.493 2.099 20 0 DEADHO NC[C@@H](NC(=O)CC[C@@H]([NH3+])CC1CCCCC1)C(F)(F)F ZINC000655518742 425588044 /nfs/dbraw/zinc/58/80/44/425588044.db2.gz LJJJRLKVHQBQHN-VXGBXAGGSA-N 1 3 309.376 2.070 20 0 DEADHO CC(C)CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1CC1 ZINC000665638988 425611197 /nfs/dbraw/zinc/61/11/97/425611197.db2.gz IJEYZSODWOXWGJ-HNNXBMFYSA-N 1 3 312.502 2.088 20 0 DEADHO CC(C)CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1CC1 ZINC000665638988 425611199 /nfs/dbraw/zinc/61/11/99/425611199.db2.gz IJEYZSODWOXWGJ-HNNXBMFYSA-N 1 3 312.502 2.088 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665555369 425596858 /nfs/dbraw/zinc/59/68/58/425596858.db2.gz CEKSBGWBEXOCOR-XHSDSOJGSA-N 1 3 322.497 2.127 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665555369 425596859 /nfs/dbraw/zinc/59/68/59/425596859.db2.gz CEKSBGWBEXOCOR-XHSDSOJGSA-N 1 3 322.497 2.127 20 0 DEADHO COc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662249716 425601007 /nfs/dbraw/zinc/60/10/07/425601007.db2.gz YIPQCQFYJXPYGV-SJORKVTESA-N 1 3 302.418 2.353 20 0 DEADHO COc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662249716 425601009 /nfs/dbraw/zinc/60/10/09/425601009.db2.gz YIPQCQFYJXPYGV-SJORKVTESA-N 1 3 302.418 2.353 20 0 DEADHO COc1cccc(C[C@H]2CCC[N@@H+]2C[C@H]2CCC3(CNC3)O2)c1 ZINC000662254038 425601807 /nfs/dbraw/zinc/60/18/07/425601807.db2.gz YTSMQJOHKHIQAH-SJLPKXTDSA-N 1 3 316.445 2.223 20 0 DEADHO COc1cccc(C[C@H]2CCC[N@H+]2C[C@H]2CCC3(CNC3)O2)c1 ZINC000662254038 425601811 /nfs/dbraw/zinc/60/18/11/425601811.db2.gz YTSMQJOHKHIQAH-SJLPKXTDSA-N 1 3 316.445 2.223 20 0 DEADHO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662256341 425604670 /nfs/dbraw/zinc/60/46/70/425604670.db2.gz IKKKAFQYBNQEQC-BPQIPLTHSA-N 1 3 300.446 2.461 20 0 DEADHO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662256341 425604671 /nfs/dbraw/zinc/60/46/71/425604671.db2.gz IKKKAFQYBNQEQC-BPQIPLTHSA-N 1 3 300.446 2.461 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@H](C3CCC3)C2)CC1 ZINC000662041352 425549291 /nfs/dbraw/zinc/54/92/91/425549291.db2.gz YVWIQMSRQYIPLZ-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C[C@@H]1NCc2ccccc21 ZINC000662404732 425643324 /nfs/dbraw/zinc/64/33/24/425643324.db2.gz UVMXCFIUCABJDO-VKJFTORMSA-N 1 3 315.461 2.458 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C[C@@H]1NCc2ccccc21 ZINC000662404732 425643329 /nfs/dbraw/zinc/64/33/29/425643329.db2.gz UVMXCFIUCABJDO-VKJFTORMSA-N 1 3 315.461 2.458 20 0 DEADHO C[C@@H](CNC(=O)C[C@@H]1NCc2ccccc21)[NH+]1CCC(C)CC1 ZINC000662416565 425645956 /nfs/dbraw/zinc/64/59/56/425645956.db2.gz CZMVHMLVDZYWGS-YJBOKZPZSA-N 1 3 315.461 2.458 20 0 DEADHO [NH3+]C[C@@H](NC(=O)c1cc2c(s1)CCNC2)C1CCCCC1 ZINC000662416944 425646331 /nfs/dbraw/zinc/64/63/31/425646331.db2.gz GVMVFNDLTFHXHV-CYBMUJFWSA-N 1 3 307.463 2.031 20 0 DEADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc2c(s1)CCNC2 ZINC000662450217 425654040 /nfs/dbraw/zinc/65/40/40/425654040.db2.gz LBJIYICESSXDTJ-CHWSQXEVSA-N 1 3 321.490 2.387 20 0 DEADHO CC(C)NCC(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000662486630 425663703 /nfs/dbraw/zinc/66/37/03/425663703.db2.gz YPKMBEYYTHSUQK-OAHLLOKOSA-N 1 3 319.449 2.344 20 0 DEADHO CC(C)NCC(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000662486630 425663707 /nfs/dbraw/zinc/66/37/07/425663707.db2.gz YPKMBEYYTHSUQK-OAHLLOKOSA-N 1 3 319.449 2.344 20 0 DEADHO C[C@@H](C(=O)NC1CCCC1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295744 425615925 /nfs/dbraw/zinc/61/59/25/425615925.db2.gz SCGPPIKAEMWTHQ-GOEBONIOSA-N 1 3 307.482 2.145 20 0 DEADHO O=C(CN1CCC[C@H](C2CC[NH2+]CC2)C1)NCc1ccccc1 ZINC000662296150 425615984 /nfs/dbraw/zinc/61/59/84/425615984.db2.gz WTOZAMVPXBFGCK-SFHVURJKSA-N 1 3 315.461 2.014 20 0 DEADHO CCC[C@H](C)NC(=O)[C@H](C)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294535 425616329 /nfs/dbraw/zinc/61/63/29/425616329.db2.gz CGCFNXCMSYHJSX-ZOBUZTSGSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H](C(=O)NC1CCCC1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295745 425616340 /nfs/dbraw/zinc/61/63/40/425616340.db2.gz SCGPPIKAEMWTHQ-HOCLYGCPSA-N 1 3 307.482 2.145 20 0 DEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(C2CCC2)CC1 ZINC000662299833 425617457 /nfs/dbraw/zinc/61/74/57/425617457.db2.gz YBDHKAVYDLWFLE-OALUTQOASA-N 1 3 302.462 2.429 20 0 DEADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC(C2CCC2)CC1 ZINC000662299833 425617461 /nfs/dbraw/zinc/61/74/61/425617461.db2.gz YBDHKAVYDLWFLE-OALUTQOASA-N 1 3 302.462 2.429 20 0 DEADHO Cc1ccc(CNC(=O)CN2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000662313016 425621671 /nfs/dbraw/zinc/62/16/71/425621671.db2.gz FMYLEZPULDEWIX-SJLPKXTDSA-N 1 3 317.477 2.451 20 0 DEADHO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCC[C@@H](C)[C@H]2CCC[NH3+])C1 ZINC000662313052 425622069 /nfs/dbraw/zinc/62/20/69/425622069.db2.gz GKLWCROEMQGYMQ-YYIAUSFCSA-N 1 3 309.498 2.330 20 0 DEADHO CN(C)CCN(C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)C1CC1 ZINC000662541707 425678789 /nfs/dbraw/zinc/67/87/89/425678789.db2.gz LFOUNLGJQZKOHP-INIZCTEOSA-N 1 3 315.461 2.231 20 0 DEADHO CCCN1CC[C@H](NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)C1 ZINC000659610299 425636429 /nfs/dbraw/zinc/63/64/29/425636429.db2.gz NTNVFIMGJRLUMT-YESZJQIVSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cccc3c2CNC3)C1 ZINC000662386602 425638986 /nfs/dbraw/zinc/63/89/86/425638986.db2.gz KTFHXUOLPKRFBI-GJZGRUSLSA-N 1 3 315.461 2.388 20 0 DEADHO CC(C)[C@H]([NH3+])CCNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000659625147 425639621 /nfs/dbraw/zinc/63/96/21/425639621.db2.gz OHSOHOHICPAFCB-OAHLLOKOSA-N 1 3 312.502 2.123 20 0 DEADHO NC1(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC2(CCC2)C1 ZINC000662804316 425739257 /nfs/dbraw/zinc/73/92/57/425739257.db2.gz DMUHADIGKWMILS-GDBMZVCRSA-N 1 3 317.477 2.123 20 0 DEADHO NC1(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC2(CCC2)C1 ZINC000662804316 425739261 /nfs/dbraw/zinc/73/92/61/425739261.db2.gz DMUHADIGKWMILS-GDBMZVCRSA-N 1 3 317.477 2.123 20 0 DEADHO CO[C@H](C[NH+]1CCC(N(C)C[C@@H](C)O)CC1)C1CCCCC1 ZINC000659897127 425684845 /nfs/dbraw/zinc/68/48/45/425684845.db2.gz STOYNUHANZDBAA-CRAIPNDOSA-N 1 3 312.498 2.359 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000662589757 425687043 /nfs/dbraw/zinc/68/70/43/425687043.db2.gz DJBDIBRMACQGGQ-ZDUSSCGKSA-N 1 3 301.434 2.140 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000662589757 425687046 /nfs/dbraw/zinc/68/70/46/425687046.db2.gz DJBDIBRMACQGGQ-ZDUSSCGKSA-N 1 3 301.434 2.140 20 0 DEADHO C[N@H+](CCCNC(=O)C1(NC2CC2)CCC1)C1CCCCC1 ZINC000662680821 425710312 /nfs/dbraw/zinc/71/03/12/425710312.db2.gz LKBKCIUEMGVFFV-UHFFFAOYSA-N 1 3 307.482 2.432 20 0 DEADHO C[N@@H+](CCCNC(=O)C1(NC2CC2)CCC1)C1CCCCC1 ZINC000662680821 425710313 /nfs/dbraw/zinc/71/03/13/425710313.db2.gz LKBKCIUEMGVFFV-UHFFFAOYSA-N 1 3 307.482 2.432 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662682133 425711714 /nfs/dbraw/zinc/71/17/14/425711714.db2.gz FZQROWQRRCTRDD-OAHLLOKOSA-N 1 3 307.482 2.276 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662682133 425711717 /nfs/dbraw/zinc/71/17/17/425711717.db2.gz FZQROWQRRCTRDD-OAHLLOKOSA-N 1 3 307.482 2.276 20 0 DEADHO O=C(C[C@H]1NCc2ccccc21)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000662698915 425716199 /nfs/dbraw/zinc/71/61/99/425716199.db2.gz UYLIVVPQCCBGLC-SJLPKXTDSA-N 1 3 313.445 2.308 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1(NC2CC2)CCC1 ZINC000662702118 425717421 /nfs/dbraw/zinc/71/74/21/425717421.db2.gz WURZPPVJVUFESZ-MRXNPFEDSA-N 1 3 307.482 2.432 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C1(NC2CC2)CCC1 ZINC000662702118 425717424 /nfs/dbraw/zinc/71/74/24/425717424.db2.gz WURZPPVJVUFESZ-MRXNPFEDSA-N 1 3 307.482 2.432 20 0 DEADHO C[C@H]1C[C@H](N(C)C(=O)CC2([NH3+])CC2)CCN1Cc1ccccc1 ZINC000662727383 425722868 /nfs/dbraw/zinc/72/28/68/425722868.db2.gz WOCCNBABIKJGOI-DOTOQJQBSA-N 1 3 315.461 2.379 20 0 DEADHO CC1(C)CC[NH2+][C@H]1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000662737950 425724942 /nfs/dbraw/zinc/72/49/42/425724942.db2.gz RTMNJRFHGVSUOT-IRXDYDNUSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2[NH2+]CCC2(C)C)CN1Cc1ccccc1 ZINC000662748406 425729161 /nfs/dbraw/zinc/72/91/61/425729161.db2.gz SMIOFTNLKWOPPN-PVAVHDDUSA-N 1 3 315.461 2.154 20 0 DEADHO CC(C)N(C)C[C@@H](O)C[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000660244057 425774507 /nfs/dbraw/zinc/77/45/07/425774507.db2.gz CSORLZFGZCJKBV-GOSISDBHSA-N 1 3 322.497 2.076 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000660402482 425808995 /nfs/dbraw/zinc/80/89/95/425808995.db2.gz HGVOHSWKBKEURF-SJORKVTESA-N 1 3 324.513 2.425 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000660402482 425808998 /nfs/dbraw/zinc/80/89/98/425808998.db2.gz HGVOHSWKBKEURF-SJORKVTESA-N 1 3 324.513 2.425 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+][C@H]2CCC[C@@H](CO)C2)cc1 ZINC000666480218 425761238 /nfs/dbraw/zinc/76/12/38/425761238.db2.gz QHIHCRLHHLHHAV-SJORKVTESA-N 1 3 306.450 2.268 20 0 DEADHO COc1cc2nccc(NCCC[NH2+]C3CC3)c2cc1OC ZINC000663241604 425821478 /nfs/dbraw/zinc/82/14/78/425821478.db2.gz IYXYMDQYKBPBGW-UHFFFAOYSA-N 1 3 301.390 2.228 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC2CCCCC2)C[C@@H]1C ZINC001423342329 1173268731 /nfs/dbraw/zinc/26/87/31/1173268731.db2.gz DCRHCOAOJWOSLJ-DOTOQJQBSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCc2cccs2)C[C@@H]1C ZINC001423349440 1173278434 /nfs/dbraw/zinc/27/84/34/1173278434.db2.gz IICNRYQDBOJEFA-GJZGRUSLSA-N 1 3 323.506 2.210 20 0 DEADHO Cc1nc(CN(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cs1 ZINC000363479670 269065319 /nfs/dbraw/zinc/06/53/19/269065319.db2.gz JDBJQIKYOHGCTB-MRXNPFEDSA-N 1 3 308.495 2.052 20 0 DEADHO OC1(C[NH2+][C@H]2CCCSC2)CCN(Cc2ccccc2)CC1 ZINC000397502429 269106590 /nfs/dbraw/zinc/10/65/90/269106590.db2.gz GDXGMKNLFXFQJR-KRWDZBQOSA-N 1 3 320.502 2.499 20 0 DEADHO COC[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)C(C)C ZINC000397575320 269106632 /nfs/dbraw/zinc/10/66/32/269106632.db2.gz BEAXXJBRGVMGGI-SFHVURJKSA-N 1 3 320.477 2.274 20 0 DEADHO OC1(CNCc2ccccn2)CC[NH+](Cc2ccccc2)CC1 ZINC000397523104 269106735 /nfs/dbraw/zinc/10/67/35/269106735.db2.gz VQFBPVUKNXEFFH-UHFFFAOYSA-N 1 3 311.429 2.198 20 0 DEADHO [NH3+][C@@H](C(=O)NC[C@H]1CCCCN1Cc1ccccc1)C1CCC1 ZINC000398989432 269110531 /nfs/dbraw/zinc/11/05/31/269110531.db2.gz KFVWVMLOBNQRQC-QZTJIDSGSA-N 1 3 315.461 2.285 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000405323815 269113033 /nfs/dbraw/zinc/11/30/33/269113033.db2.gz BFTOTGUYRRMJIL-DZJNRPSUSA-N 1 3 315.461 2.141 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CN1C1CC1 ZINC000433384539 269135403 /nfs/dbraw/zinc/13/54/03/269135403.db2.gz KRPCQNUJHDLJQS-HFTRVMKXSA-N 1 3 315.461 2.421 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1CCCN1C1CC1 ZINC000494277823 269148767 /nfs/dbraw/zinc/14/87/67/269148767.db2.gz UXYMNXCYEMPZMR-RDJZCZTQSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCCN1C1CC1 ZINC000494277823 269148769 /nfs/dbraw/zinc/14/87/69/269148769.db2.gz UXYMNXCYEMPZMR-RDJZCZTQSA-N 1 3 307.482 2.384 20 0 DEADHO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1CC[C@H]1CCCN1C ZINC000495636730 269162563 /nfs/dbraw/zinc/16/25/63/269162563.db2.gz BZRPZCUQWUWEIT-CVEARBPZSA-N 1 3 311.470 2.461 20 0 DEADHO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1CC[C@H]1CCCN1C ZINC000495636730 269162565 /nfs/dbraw/zinc/16/25/65/269162565.db2.gz BZRPZCUQWUWEIT-CVEARBPZSA-N 1 3 311.470 2.461 20 0 DEADHO CN1CCC[C@H]1CC[N@@H+]1CCCC[C@H]1COC(=O)NC1CC1 ZINC000496669077 269239046 /nfs/dbraw/zinc/23/90/46/269239046.db2.gz VNEZWIWYYYBGIY-HOTGVXAUSA-N 1 3 309.454 2.214 20 0 DEADHO CN1CCC[C@H]1CC[N@H+]1CCCC[C@H]1COC(=O)NC1CC1 ZINC000496669077 269239048 /nfs/dbraw/zinc/23/90/48/269239048.db2.gz VNEZWIWYYYBGIY-HOTGVXAUSA-N 1 3 309.454 2.214 20 0 DEADHO CNC[C@H](C)C[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496797319 269253416 /nfs/dbraw/zinc/25/34/16/269253416.db2.gz GYXXHXOKEMLZPE-HNNXBMFYSA-N 1 3 319.449 2.233 20 0 DEADHO C[NH2+]C[C@H](C)CNC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496797319 269253418 /nfs/dbraw/zinc/25/34/18/269253418.db2.gz GYXXHXOKEMLZPE-HNNXBMFYSA-N 1 3 319.449 2.233 20 0 DEADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]CC3(CN)CC3)C[C@@H]2C1 ZINC000497228595 269295216 /nfs/dbraw/zinc/29/52/16/269295216.db2.gz AJPSEEHZOGWCBN-ZNMIVQPWSA-N 1 3 323.481 2.351 20 0 DEADHO CCOC[C@H](O)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499249988 269303516 /nfs/dbraw/zinc/30/35/16/269303516.db2.gz LADYKAQZOJBDAM-AKHDSKFASA-N 1 3 318.461 2.169 20 0 DEADHO CCOC[C@H](O)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499249988 269303517 /nfs/dbraw/zinc/30/35/17/269303517.db2.gz LADYKAQZOJBDAM-AKHDSKFASA-N 1 3 318.461 2.169 20 0 DEADHO C[C@@H](CN(C)C)NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000512436400 269321262 /nfs/dbraw/zinc/32/12/62/269321262.db2.gz JZIBQFSXRNZYSF-ULQDDVLXSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](CN(C)C)NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000512436400 269321261 /nfs/dbraw/zinc/32/12/61/269321261.db2.gz JZIBQFSXRNZYSF-ULQDDVLXSA-N 1 3 324.513 2.233 20 0 DEADHO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CNCc2ccccc21 ZINC000514725098 269329084 /nfs/dbraw/zinc/32/90/84/269329084.db2.gz MYCLXHSNDWQVEK-MAUKXSAKSA-N 1 3 313.445 2.007 20 0 DEADHO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CNCc2ccccc21 ZINC000514725098 269329085 /nfs/dbraw/zinc/32/90/85/269329085.db2.gz MYCLXHSNDWQVEK-MAUKXSAKSA-N 1 3 313.445 2.007 20 0 DEADHO NC(=O)C1(CNC2CC[NH+](C3CCCCC3)CC2)CCCC1 ZINC000515194772 269346900 /nfs/dbraw/zinc/34/69/00/269346900.db2.gz FWKGNGJSPQAYAK-UHFFFAOYSA-N 1 3 307.482 2.419 20 0 DEADHO NC(=O)C1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCCC1 ZINC000515194772 269346902 /nfs/dbraw/zinc/34/69/02/269346902.db2.gz FWKGNGJSPQAYAK-UHFFFAOYSA-N 1 3 307.482 2.419 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H]1CN1CCC(N2CCOC[C@H]2C)CC1 ZINC000517957162 269395400 /nfs/dbraw/zinc/39/54/00/269395400.db2.gz NPLAJCSWKBUKLN-MJGOQNOKSA-N 1 3 323.525 2.434 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H]1CN1CCC(N2CCOC[C@H]2C)CC1 ZINC000517957162 269395401 /nfs/dbraw/zinc/39/54/01/269395401.db2.gz NPLAJCSWKBUKLN-MJGOQNOKSA-N 1 3 323.525 2.434 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000236778519 273563464 /nfs/dbraw/zinc/56/34/64/273563464.db2.gz FMLPZYNUCXJZDN-SJORKVTESA-N 1 3 315.461 2.316 20 0 DEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@]1(C)CCCNC1 ZINC000423335424 274357123 /nfs/dbraw/zinc/35/71/23/274357123.db2.gz RWJVPCXBGVWQLO-BHIYHBOVSA-N 1 3 316.493 2.271 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC000415081213 274944287 /nfs/dbraw/zinc/94/42/87/274944287.db2.gz KBQBDWRQZQEZSZ-BLLLJJGKSA-N 1 3 321.852 2.114 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000349119263 276009811 /nfs/dbraw/zinc/00/98/11/276009811.db2.gz PBWQWXRERIAEOM-BBWFWOEESA-N 1 3 309.498 2.345 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000349119263 276009814 /nfs/dbraw/zinc/00/98/14/276009814.db2.gz PBWQWXRERIAEOM-BBWFWOEESA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000418339733 276058165 /nfs/dbraw/zinc/05/81/65/276058165.db2.gz BLFJINCPIQMCPS-XOKHGSTOSA-N 1 3 318.465 2.250 20 0 DEADHO CC1(C)C[C@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)C(C)(C)O1 ZINC000133112353 276148304 /nfs/dbraw/zinc/14/83/04/276148304.db2.gz AGCBRBZDAGFWKO-HOCLYGCPSA-N 1 3 310.482 2.423 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H]2CCCc3nc(C)sc32)CC1 ZINC000154304395 276195095 /nfs/dbraw/zinc/19/50/95/276195095.db2.gz FFPZDXJGIAHWOM-OAHLLOKOSA-N 1 3 322.522 2.446 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+](C)CC(C)(C)O)CC1 ZINC000093414663 276203283 /nfs/dbraw/zinc/20/32/83/276203283.db2.gz WQLKYOYISWPWSW-UHFFFAOYSA-N 1 3 305.466 2.031 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+](C)CC(C)(C)O)CC1 ZINC000093414663 276203284 /nfs/dbraw/zinc/20/32/84/276203284.db2.gz WQLKYOYISWPWSW-UHFFFAOYSA-N 1 3 305.466 2.031 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccccc1C[NH2+]C ZINC000415907207 276232730 /nfs/dbraw/zinc/23/27/30/276232730.db2.gz ASEHOTVOWDGPPC-CVEARBPZSA-N 1 3 316.449 2.497 20 0 DEADHO CCN(CC)CC(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000377111755 276322850 /nfs/dbraw/zinc/32/28/50/276322850.db2.gz IIRISEQGOWNCOD-IBGZPJMESA-N 1 3 317.477 2.357 20 0 DEADHO CCN(CC)CC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000377111755 276322851 /nfs/dbraw/zinc/32/28/51/276322851.db2.gz IIRISEQGOWNCOD-IBGZPJMESA-N 1 3 317.477 2.357 20 0 DEADHO CC(=O)N1CC[C@@H]([NH2+]C[C@@H](C)CN(C)C)c2ccccc2C1 ZINC000425943356 277005049 /nfs/dbraw/zinc/00/50/49/277005049.db2.gz IMNDOCBZBDHFER-RDTXWAMCSA-N 1 3 303.450 2.267 20 0 DEADHO CC(C)(C)OC[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134941677 277216860 /nfs/dbraw/zinc/21/68/60/277216860.db2.gz HHATVXOFKBLMSG-DJIMGWMZSA-N 1 3 310.482 2.111 20 0 DEADHO CC(C)(C)OC[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134941677 277216861 /nfs/dbraw/zinc/21/68/61/277216861.db2.gz HHATVXOFKBLMSG-DJIMGWMZSA-N 1 3 310.482 2.111 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000418242850 277439225 /nfs/dbraw/zinc/43/92/25/277439225.db2.gz VKGSLYAHUSDTAL-ZACQAIPSSA-N 1 3 324.513 2.123 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)C2(C[NH3+])CCCC2)cc1 ZINC000428911869 278049233 /nfs/dbraw/zinc/04/92/33/278049233.db2.gz GOYUNYPBHWWXLX-MRXNPFEDSA-N 1 3 303.450 2.445 20 0 DEADHO C[C@@]1([NH2+]CCCN[C@@]2(C)CCO[C@H]2C2CC2)CCO[C@@H]1C1CC1 ZINC000371717697 278127992 /nfs/dbraw/zinc/12/79/92/278127992.db2.gz UDBKRCYMSHKMLE-QGFMHUBQSA-N 1 3 322.493 2.471 20 0 DEADHO C[C@@]1(NCCC[NH2+][C@@]2(C)CCO[C@H]2C2CC2)CCO[C@@H]1C1CC1 ZINC000371717697 278127994 /nfs/dbraw/zinc/12/79/94/278127994.db2.gz UDBKRCYMSHKMLE-QGFMHUBQSA-N 1 3 322.493 2.471 20 0 DEADHO C[C@@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N1CCCCCC1 ZINC000423973901 278210853 /nfs/dbraw/zinc/21/08/53/278210853.db2.gz NCYIQNVNDCMGRN-RYQLBKOJSA-N 1 3 315.461 2.123 20 0 DEADHO CC1(C)CCCN[C@H]1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000423422534 278222863 /nfs/dbraw/zinc/22/28/63/278222863.db2.gz BIKBAJHAEFBTEG-CVEARBPZSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)(C(=O)N1CCC2(C1)CC[NH2+]CC2)[C@@H](N)c1ccccc1 ZINC000417799898 278261424 /nfs/dbraw/zinc/26/14/24/278261424.db2.gz BMVDPFZZGHNPJT-INIZCTEOSA-N 1 3 315.461 2.315 20 0 DEADHO C[C@@H](NC1CC[NH+](C2CCCCC2)CC1)[C@@H](C)N1CCOCC1 ZINC000133967659 278335347 /nfs/dbraw/zinc/33/53/47/278335347.db2.gz DCQUGXKLUYZJGK-IAGOWNOFSA-N 1 3 323.525 2.482 20 0 DEADHO C[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H](C)N1CCOCC1 ZINC000133967659 278335349 /nfs/dbraw/zinc/33/53/49/278335349.db2.gz DCQUGXKLUYZJGK-IAGOWNOFSA-N 1 3 323.525 2.482 20 0 DEADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@]2(O)CCSC2)CC1 ZINC000158271641 278335491 /nfs/dbraw/zinc/33/54/91/278335491.db2.gz FXVDGGDUFCFBON-BHYGNILZSA-N 1 3 312.523 2.487 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000422871960 278562475 /nfs/dbraw/zinc/56/24/75/278562475.db2.gz FBSWWQRASXETQS-NFAWXSAZSA-N 1 3 308.857 2.291 20 0 DEADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457594816 288072546 /nfs/dbraw/zinc/07/25/46/288072546.db2.gz JACSEKLNDSHGML-PBHICJAKSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000418243352 278978994 /nfs/dbraw/zinc/97/89/94/278978994.db2.gz WJVBAHJGWOVLBO-IXDOHACOSA-N 1 3 324.513 2.408 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418245543 278981402 /nfs/dbraw/zinc/98/14/02/278981402.db2.gz YIOFVTDTJBVKQQ-ZACQAIPSSA-N 1 3 324.513 2.184 20 0 DEADHO C[C@H](CC(=O)NC[C@H](c1ccccc1)N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000237646260 279246285 /nfs/dbraw/zinc/24/62/85/279246285.db2.gz GKWWDONIIMJBQG-KBAYOESNSA-N 1 3 317.477 2.431 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CC(C)(C)[C@@H]3CCC[C@@H]32)CC1 ZINC000339718763 279259421 /nfs/dbraw/zinc/25/94/21/279259421.db2.gz LQRBXHZEZAHKFT-CVEARBPZSA-N 1 3 307.482 2.097 20 0 DEADHO CCN1CCCN(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000428701110 279285473 /nfs/dbraw/zinc/28/54/73/279285473.db2.gz QASGRPZYZRXJKW-SJLPKXTDSA-N 1 3 324.513 2.234 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000340940368 279311163 /nfs/dbraw/zinc/31/11/63/279311163.db2.gz RCXZRUCQLGTKJQ-BZUAXINKSA-N 1 3 310.486 2.033 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000340940368 279311164 /nfs/dbraw/zinc/31/11/64/279311164.db2.gz RCXZRUCQLGTKJQ-BZUAXINKSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H](CNC(=O)NCCN1CCC(C)CC1)[N@@H+]1CCCC[C@H]1C ZINC000337367181 279335070 /nfs/dbraw/zinc/33/50/70/279335070.db2.gz MLSHDACAIQCQIW-IAGOWNOFSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H](CNC(=O)NCCN1CCC(C)CC1)[N@H+]1CCCC[C@H]1C ZINC000337367181 279335071 /nfs/dbraw/zinc/33/50/71/279335071.db2.gz MLSHDACAIQCQIW-IAGOWNOFSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H]([NH3+])CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000417851397 279397484 /nfs/dbraw/zinc/39/74/84/279397484.db2.gz YMIOJUBDYXMHSD-ZMSDIMECSA-N 1 3 318.465 2.076 20 0 DEADHO C[C@@H]1CN(CCC2CC[NH+](C[C@H]3CCCO3)CC2)C[C@@H](C)O1 ZINC000339015561 288156905 /nfs/dbraw/zinc/15/69/05/288156905.db2.gz ZQPGTOHHDODRIJ-JFIYKMOQSA-N 1 3 310.482 2.377 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C[C@@H](C)O1 ZINC000181616309 288161585 /nfs/dbraw/zinc/16/15/85/288161585.db2.gz WJNAAGUFLFJPPL-SFFUCWETSA-N 1 3 322.493 2.423 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000182698072 280781052 /nfs/dbraw/zinc/78/10/52/280781052.db2.gz FLLFSPOGOAMLQT-RDJZCZTQSA-N 1 3 309.498 2.474 20 0 DEADHO C[C@H]1CN(CCCC[NH2+]Cc2cccc3c2OCO3)C[C@H](C)O1 ZINC000062252796 281503029 /nfs/dbraw/zinc/50/30/29/281503029.db2.gz NVUVVUAYLOOABW-GJZGRUSLSA-N 1 3 320.433 2.394 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)NCCN2CCC(C)CC2)CC1 ZINC000073659174 281544456 /nfs/dbraw/zinc/54/44/56/281544456.db2.gz GXEKLSSKJAHYKB-UHFFFAOYSA-N 1 3 324.513 2.140 20 0 DEADHO C[C@H](CC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1 ZINC000103211453 281651579 /nfs/dbraw/zinc/65/15/79/281651579.db2.gz RBZXFZBYCCYSSO-MRXNPFEDSA-N 1 3 305.466 2.132 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@H](C[NH3+])C(C)C)N(C)C)cc1 ZINC000433133164 288563044 /nfs/dbraw/zinc/56/30/44/288563044.db2.gz DFNIYKHFINSGBD-SJORKVTESA-N 1 3 305.466 2.199 20 0 DEADHO CN(C)C[C@H](NC(=O)[C@@H]([NH3+])CC(F)F)c1ccc(Cl)cc1 ZINC000423771914 289208164 /nfs/dbraw/zinc/20/81/64/289208164.db2.gz KEVLFLMIVHXUDZ-RYUDHWBXSA-N 1 3 319.783 2.041 20 0 DEADHO C[C@H](C(=O)N1CCCCC1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000377404388 289264756 /nfs/dbraw/zinc/26/47/56/289264756.db2.gz VEHMKZLMSKBOIH-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO CN(C)[C@H]1CCCN(C(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000105128107 289369968 /nfs/dbraw/zinc/36/99/68/289369968.db2.gz NJFNQCYJVHTOEA-KRWDZBQOSA-N 1 3 324.513 2.377 20 0 DEADHO CN(C)[C@H]1CCCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000105128107 289369970 /nfs/dbraw/zinc/36/99/70/289369970.db2.gz NJFNQCYJVHTOEA-KRWDZBQOSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H](CC(=O)N1CC[C@H](N2CCCCC2)C1)C1CC[NH2+]CC1 ZINC000430896408 289419543 /nfs/dbraw/zinc/41/95/43/289419543.db2.gz HNRKZVNBLIWOBA-WBVHZDCISA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H](CC(=O)N1CC[C@H](N2CCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000262332587 289420001 /nfs/dbraw/zinc/42/00/01/289420001.db2.gz SQBPYPCVVWNBIN-IKGGRYGDSA-N 1 3 307.482 2.099 20 0 DEADHO COC[C@]1(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)OCCc2ccccc21 ZINC000289947698 293295768 /nfs/dbraw/zinc/29/57/68/293295768.db2.gz WGTMJHCSPUHQRJ-IEZWGBDMSA-N 1 3 318.461 2.173 20 0 DEADHO COC[C@]1(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)OCCc2ccccc21 ZINC000289947698 293295769 /nfs/dbraw/zinc/29/57/69/293295769.db2.gz WGTMJHCSPUHQRJ-IEZWGBDMSA-N 1 3 318.461 2.173 20 0 DEADHO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000279683978 294480222 /nfs/dbraw/zinc/48/02/22/294480222.db2.gz HMQMUMKNRSNXON-APWZRJJASA-N 1 3 319.493 2.378 20 0 DEADHO COc1ccc(C2(C[NH2+][C@H]3CCC[C@@H]3CN)CCOCC2)cc1 ZINC000422905466 295113368 /nfs/dbraw/zinc/11/33/68/295113368.db2.gz ZCFWSPNFXBIOJJ-QAPCUYQASA-N 1 3 318.461 2.460 20 0 DEADHO NC[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000238012564 295241246 /nfs/dbraw/zinc/24/12/46/295241246.db2.gz HYMSAPZTFLOYQM-QZTJIDSGSA-N 1 3 315.461 2.206 20 0 DEADHO NCc1cn([C@@H]2CCC[N@H+](C[C@H]3CCCC(F)(F)C3)C2)nn1 ZINC000420374896 295279359 /nfs/dbraw/zinc/27/93/59/295279359.db2.gz HXHSUGNEPHDVQS-GXTWGEPZSA-N 1 3 313.396 2.199 20 0 DEADHO NCc1cn([C@@H]2CCC[N@@H+](C[C@H]3CCCC(F)(F)C3)C2)nn1 ZINC000420374896 295279361 /nfs/dbraw/zinc/27/93/61/295279361.db2.gz HXHSUGNEPHDVQS-GXTWGEPZSA-N 1 3 313.396 2.199 20 0 DEADHO C[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)N1CCCCCC1 ZINC000356306953 298080761 /nfs/dbraw/zinc/08/07/61/298080761.db2.gz XQHQMMDBQKHNII-AEFFLSMTSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)N1CCCCCC1 ZINC000356306953 298080764 /nfs/dbraw/zinc/08/07/64/298080764.db2.gz XQHQMMDBQKHNII-AEFFLSMTSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000417035023 298562176 /nfs/dbraw/zinc/56/21/76/298562176.db2.gz SEBZMOOINOMWLD-MRXNPFEDSA-N 1 3 322.497 2.036 20 0 DEADHO Cc1cccc(C[C@@H](CO)[NH2+][C@@H](C)c2ccc(CN)nc2C)c1 ZINC000423060311 301986141 /nfs/dbraw/zinc/98/61/41/301986141.db2.gz OEEFKBFVBNKISK-YJBOKZPZSA-N 1 3 313.445 2.411 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC(C)(C)CC[NH3+])N(C)C ZINC000422623049 302200933 /nfs/dbraw/zinc/20/09/33/302200933.db2.gz UOYUCAKCIGXNJW-ZBFHGGJFSA-N 1 3 320.481 2.413 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H]([NH3+])C(C)C)N(C)C ZINC000418162235 302201486 /nfs/dbraw/zinc/20/14/86/302201486.db2.gz CMFUGZSZPLAECH-PVAVHDDUSA-N 1 3 320.481 2.269 20 0 DEADHO NCc1cn([C@H]2CCC[N@H+](Cc3ccnc4ccccc34)C2)nn1 ZINC000573305779 326043088 /nfs/dbraw/zinc/04/30/88/326043088.db2.gz WITYSGFFHFHAPA-INIZCTEOSA-N 1 3 322.416 2.122 20 0 DEADHO NCc1cn([C@H]2CCC[N@@H+](Cc3ccnc4ccccc34)C2)nn1 ZINC000573305779 326043091 /nfs/dbraw/zinc/04/30/91/326043091.db2.gz WITYSGFFHFHAPA-INIZCTEOSA-N 1 3 322.416 2.122 20 0 DEADHO C[C@@H]1CN(CCC[NH2+]Cc2ccc3[nH]cnc3c2)CCCO1 ZINC000574557932 326165939 /nfs/dbraw/zinc/16/59/39/326165939.db2.gz JWBBMYPIUHIYBY-CQSZACIVSA-N 1 3 302.422 2.153 20 0 DEADHO C[C@@H]1CN(CCC[NH2+]Cc2ccc3nc[nH]c3c2)CCCO1 ZINC000574557932 326165941 /nfs/dbraw/zinc/16/59/41/326165941.db2.gz JWBBMYPIUHIYBY-CQSZACIVSA-N 1 3 302.422 2.153 20 0 DEADHO CC(C)[NH2+]CC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000576839243 326323887 /nfs/dbraw/zinc/32/38/87/326323887.db2.gz WIMWFGLHKJOPGL-UHFFFAOYSA-N 1 3 311.857 2.228 20 0 DEADHO CC[N@H+](C)C[C@@H](O)CN(C)C[C@H](C)Cc1ccc(OC)cc1 ZINC000577289641 326355831 /nfs/dbraw/zinc/35/58/31/326355831.db2.gz CENONWLPCHCJFC-NVXWUHKLSA-N 1 3 308.466 2.118 20 0 DEADHO CC[N@@H+](C)C[C@@H](O)CN(C)C[C@H](C)Cc1ccc(OC)cc1 ZINC000577289641 326355833 /nfs/dbraw/zinc/35/58/33/326355833.db2.gz CENONWLPCHCJFC-NVXWUHKLSA-N 1 3 308.466 2.118 20 0 DEADHO C[C@@H]1[C@H](NC(=O)CCCC[NH+](C)C)CCN1Cc1ccccc1 ZINC000583417338 332395758 /nfs/dbraw/zinc/39/57/58/332395758.db2.gz ZCNQMYUTWKAOEO-SJLPKXTDSA-N 1 3 317.477 2.498 20 0 DEADHO CN(C(=O)CCCC[NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388517696 333319395 /nfs/dbraw/zinc/31/93/95/333319395.db2.gz PXUAFGZALWGGIK-KRWDZBQOSA-N 1 3 303.450 2.238 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)C[C@@H](N)Cc2ccccc2)C1 ZINC000583497892 335621256 /nfs/dbraw/zinc/62/12/56/335621256.db2.gz NIKSGEPFLKLUHZ-ROUUACIJSA-N 1 3 317.477 2.137 20 0 DEADHO CN1CCN(CCCC[NH2+]CC2Cc3ccccc3C2)CC1 ZINC000582757186 337135647 /nfs/dbraw/zinc/13/56/47/337135647.db2.gz BFEQNBHRXDRZTI-UHFFFAOYSA-N 1 3 301.478 2.019 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)NCC1CC[NH2+]CC1 ZINC000583023925 337226508 /nfs/dbraw/zinc/22/65/08/337226508.db2.gz VVFYWCAFPGIVPO-UHFFFAOYSA-N 1 3 315.417 2.224 20 0 DEADHO CSC[C@@H](O)CN1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000297617774 533716463 /nfs/dbraw/zinc/71/64/63/533716463.db2.gz LDGKNDANAFRNCO-AWEZNQCLSA-N 1 3 317.458 2.081 20 0 DEADHO CSC[C@@H](O)C[NH+]1CCN(c2ccnc3ccccc32)CC1 ZINC000297617774 533716470 /nfs/dbraw/zinc/71/64/70/533716470.db2.gz LDGKNDANAFRNCO-AWEZNQCLSA-N 1 3 317.458 2.081 20 0 DEADHO COC[C@H](O)CNCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000580640593 341890734 /nfs/dbraw/zinc/89/07/34/341890734.db2.gz BZOJMQUULCALOR-GOSISDBHSA-N 1 3 306.450 2.015 20 0 DEADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccsc1 ZINC001378306550 1152286408 /nfs/dbraw/zinc/28/64/08/1152286408.db2.gz XCHXDWRGOASWQV-DZGCQCFKSA-N 1 3 309.479 2.074 20 0 DEADHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1cccc(F)c1 ZINC001378307333 1152286812 /nfs/dbraw/zinc/28/68/12/1152286812.db2.gz YEFLFQCFNJZAAF-YOEHRIQHSA-N 1 3 321.440 2.152 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]21)N(C)C ZINC001378705207 1152418894 /nfs/dbraw/zinc/41/88/94/1152418894.db2.gz VRHHWUVBJNMFNS-WCXIOVBPSA-N 1 3 321.509 2.057 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]21)N(C)C ZINC001378705207 1152418896 /nfs/dbraw/zinc/41/88/96/1152418896.db2.gz VRHHWUVBJNMFNS-WCXIOVBPSA-N 1 3 321.509 2.057 20 0 DEADHO Cc1cc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCN2C)cs1 ZINC001378748793 1152433999 /nfs/dbraw/zinc/43/39/99/1152433999.db2.gz DSFXCBJNNDJJFG-SWLSCSKDSA-N 1 3 309.479 2.087 20 0 DEADHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001378779143 1152444376 /nfs/dbraw/zinc/44/43/76/1152444376.db2.gz OEHHDECLBQMGHQ-GOEBONIOSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](NC1CC1)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295763459 533798046 /nfs/dbraw/zinc/79/80/46/533798046.db2.gz QILYPRXIGUHCQN-YQQAZPJKSA-N 1 3 315.461 2.154 20 0 DEADHO C[C@H](NC1CC1)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295763459 533798055 /nfs/dbraw/zinc/79/80/55/533798055.db2.gz QILYPRXIGUHCQN-YQQAZPJKSA-N 1 3 315.461 2.154 20 0 DEADHO C[C@H](CCC[NH3+])NCC(=O)Nc1ccc(Br)cc1 ZINC000422689947 533867410 /nfs/dbraw/zinc/86/74/10/533867410.db2.gz FWFYBSNDXYQYHU-SNVBAGLBSA-N 1 3 314.227 2.105 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCC2CC2)C1 ZINC001401292084 1161917557 /nfs/dbraw/zinc/91/75/57/1161917557.db2.gz HTFCPTJNHOWLGN-RDJZCZTQSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](CC[NH3+])NC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000418522942 533898602 /nfs/dbraw/zinc/89/86/02/533898602.db2.gz JPVFCWLVGMPOFA-OAHLLOKOSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@@H]1CCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)C[C@H]1C[NH3+] ZINC000417840509 533935894 /nfs/dbraw/zinc/93/58/94/533935894.db2.gz OKYPULJESJWAJY-BMFZPTHFSA-N 1 3 303.450 2.156 20 0 DEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000422894734 534067188 /nfs/dbraw/zinc/06/71/88/534067188.db2.gz DBOGJCUIKUTZPT-QAPCUYQASA-N 1 3 302.466 2.024 20 0 DEADHO C[C@@H]1CCNC[C@H]1[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000422969371 534101355 /nfs/dbraw/zinc/10/13/55/534101355.db2.gz UGWJVRKEGCCONA-DNVCBOLYSA-N 1 3 318.461 2.470 20 0 DEADHO COc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443057562 534146153 /nfs/dbraw/zinc/14/61/53/534146153.db2.gz GZIRYYMBGDRNBT-KGLIPLIRSA-N 1 3 305.422 2.083 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000339461800 519853154 /nfs/dbraw/zinc/85/31/54/519853154.db2.gz MDIIVUYDWBCEPK-DLBZAZTESA-N 1 3 307.482 2.051 20 0 DEADHO c1ccc(NCCCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422759507 534496647 /nfs/dbraw/zinc/49/66/47/534496647.db2.gz PIOXSWNWHIEMDP-RCCFBDPRSA-N 1 3 303.450 2.235 20 0 DEADHO C[NH+](C)[C@@H](CNC(=O)CN1CCC(C)(C)C1)c1ccccc1 ZINC000158746061 522012622 /nfs/dbraw/zinc/01/26/22/522012622.db2.gz IBQQDUHFHDXUMY-INIZCTEOSA-N 1 3 303.450 2.137 20 0 DEADHO CN(C)[C@@H](CNC(=O)N(C)CC[NH+]1CCCC1)c1ccccc1 ZINC000112739828 522016463 /nfs/dbraw/zinc/01/64/63/522016463.db2.gz SDHTZSMJEZZJJG-KRWDZBQOSA-N 1 3 318.465 2.027 20 0 DEADHO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCN(C2CC2)C1)C1CCCCC1 ZINC000339445872 522078456 /nfs/dbraw/zinc/07/84/56/522078456.db2.gz SMZABLUKPZVBJF-NVXWUHKLSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1)[C@H](C)[NH3+] ZINC000248975602 524168839 /nfs/dbraw/zinc/16/88/39/524168839.db2.gz DTWBEEBBZMCDIQ-ILXRZTDVSA-N 1 3 303.450 2.312 20 0 DEADHO C[C@H](CCc1c(F)cccc1F)[NH2+]CCOCCN(C)C ZINC000338008359 524231044 /nfs/dbraw/zinc/23/10/44/524231044.db2.gz JTBUAJIPUWTMQA-CYBMUJFWSA-N 1 3 300.393 2.454 20 0 DEADHO CN(Cc1ccccc1N(C)C1CC[NH+](C)CC1)C1CC(O)C1 ZINC000355374318 536483211 /nfs/dbraw/zinc/48/32/11/536483211.db2.gz YLVJNPVXLRAZFQ-UHFFFAOYSA-N 1 3 317.477 2.172 20 0 DEADHO O=CN1CCC([NH2+]C2CCN(CC3CCCCC3)CC2)CC1 ZINC000365201170 527139914 /nfs/dbraw/zinc/13/99/14/527139914.db2.gz XUWVKGCVLCPOTM-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO C(C[NH2+][C@H]1CCC[C@@H]1[C@H]1CCCCN1)COC1CCOCC1 ZINC000422914978 527486020 /nfs/dbraw/zinc/48/60/20/527486020.db2.gz ACZXAMZAZATCHN-KURKYZTESA-N 1 3 310.482 2.473 20 0 DEADHO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297613816 527968967 /nfs/dbraw/zinc/96/89/67/527968967.db2.gz KTDDNSUBZQUSBH-ZIAGYGMSSA-N 1 3 305.422 2.228 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)NCC[C@H]2CC[NH2+]C2)cc1 ZINC000418340225 528142906 /nfs/dbraw/zinc/14/29/06/528142906.db2.gz CFHUGDDOEFUDHC-RHSMWYFYSA-N 1 3 318.465 2.109 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000416847278 528272142 /nfs/dbraw/zinc/27/21/42/528272142.db2.gz VFGJZLIJSFXBLP-DOTOQJQBSA-N 1 3 318.465 2.060 20 0 DEADHO CC(C)[C@@H](C[NH3+])C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000433139170 528442679 /nfs/dbraw/zinc/44/26/79/528442679.db2.gz WAOWCOOVHFSOPX-ZIAGYGMSSA-N 1 3 309.479 2.232 20 0 DEADHO CCN(CCC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N)c1ccccc1 ZINC000422783000 528459453 /nfs/dbraw/zinc/45/94/53/528459453.db2.gz KJXGKJYUXOUQOV-CGTJXYLNSA-N 1 3 305.466 2.245 20 0 DEADHO CCN(CCCN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])c1ccccc1 ZINC000422783000 528459459 /nfs/dbraw/zinc/45/94/59/528459459.db2.gz KJXGKJYUXOUQOV-CGTJXYLNSA-N 1 3 305.466 2.245 20 0 DEADHO CC[N@H+](CCNC(=O)NC[C@H]1N(C)CCCC1(C)C)C(C)C ZINC000448014103 528493732 /nfs/dbraw/zinc/49/37/32/528493732.db2.gz YOIMMQGKIKXDCI-OAHLLOKOSA-N 1 3 312.502 2.136 20 0 DEADHO CC[N@@H+](CCNC(=O)NC[C@H]1N(C)CCCC1(C)C)C(C)C ZINC000448014103 528493736 /nfs/dbraw/zinc/49/37/36/528493736.db2.gz YOIMMQGKIKXDCI-OAHLLOKOSA-N 1 3 312.502 2.136 20 0 DEADHO CC(C)[C@@H](N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000292608481 528500218 /nfs/dbraw/zinc/50/02/18/528500218.db2.gz XEXFLJUCCMSKAD-DJIMGWMZSA-N 1 3 303.450 2.139 20 0 DEADHO CC(C)[C@@H](N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000292608481 528500222 /nfs/dbraw/zinc/50/02/22/528500222.db2.gz XEXFLJUCCMSKAD-DJIMGWMZSA-N 1 3 303.450 2.139 20 0 DEADHO CC(C)C[C@H](C[NH3+])NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000418445971 528507528 /nfs/dbraw/zinc/50/75/28/528507528.db2.gz PDUYMNRZBGSCQZ-QGZVFWFLSA-N 1 3 320.481 2.133 20 0 DEADHO CC(CN(C)[C@H](CO)C(C)(C)C)C[N@H+](C)[C@H](CO)C(C)(C)C ZINC000441055812 528705961 /nfs/dbraw/zinc/70/59/61/528705961.db2.gz BEENKFRQLPIZFZ-HZPDHXFCSA-N 1 3 316.530 2.300 20 0 DEADHO CC(CN(C)[C@H](CO)C(C)(C)C)C[N@@H+](C)[C@H](CO)C(C)(C)C ZINC000441055812 528705968 /nfs/dbraw/zinc/70/59/68/528705968.db2.gz BEENKFRQLPIZFZ-HZPDHXFCSA-N 1 3 316.530 2.300 20 0 DEADHO CCN(Cc1ccc(C(=O)NC[C@@H]([NH3+])C(C)C)cc1)C1CC1 ZINC000429197568 528774801 /nfs/dbraw/zinc/77/48/01/528774801.db2.gz OUEVANKSCSGIOA-QGZVFWFLSA-N 1 3 303.450 2.384 20 0 DEADHO CCC(CC)[C@H](C[NH2+][C@H](C)[C@H]1CCCCN1)N1CCOCC1 ZINC000422817794 528855494 /nfs/dbraw/zinc/85/54/94/528855494.db2.gz INYKXZSWNCIOCR-NXHRZFHOSA-N 1 3 311.514 2.244 20 0 DEADHO CCC([NH3+])(CC)CNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000418177969 528940912 /nfs/dbraw/zinc/94/09/12/528940912.db2.gz IBWOSCCXUDUQGN-ZBFHGGJFSA-N 1 3 320.481 2.495 20 0 DEADHO CCCC[C@H](N)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000442710834 528970447 /nfs/dbraw/zinc/97/04/47/528970447.db2.gz CRVBIDQSRBZTDJ-HNNXBMFYSA-N 1 3 320.437 2.033 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H](C)C2(OC)CCCCC2)CC1 ZINC000421821647 529145019 /nfs/dbraw/zinc/14/50/19/529145019.db2.gz SLQAGIXLINMBSR-KRWDZBQOSA-N 1 3 311.514 2.341 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)c1ccco1 ZINC000418171005 529182358 /nfs/dbraw/zinc/18/23/58/529182358.db2.gz TVKOQENVTTZMSI-LXTVHRRPSA-N 1 3 322.453 2.088 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC[C@H]([NH2+]C)C1)c1ccco1 ZINC000418167750 529182567 /nfs/dbraw/zinc/18/25/67/529182567.db2.gz NADXWWUPBOKGRO-SOUVJXGZSA-N 1 3 322.453 2.102 20 0 DEADHO CC[C@H](CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])Oc1ccccc1C ZINC000422918393 529369585 /nfs/dbraw/zinc/36/95/85/529369585.db2.gz HJAMHFNLDJZUDL-YLFCFFPRSA-N 1 3 306.450 2.494 20 0 DEADHO CC[C@H](CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+])Oc1cccc(F)c1 ZINC000422847716 529369789 /nfs/dbraw/zinc/36/97/89/529369789.db2.gz IVMNKUNUSGCYSS-JSQNDZKTSA-N 1 3 310.413 2.325 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000309918524 534986841 /nfs/dbraw/zinc/98/68/41/534986841.db2.gz PMGJTOISFVGSEK-SFHVURJKSA-N 1 3 317.477 2.340 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000357917192 535233184 /nfs/dbraw/zinc/23/31/84/535233184.db2.gz KWQBHSUNKDKPFK-HUUCEWRRSA-N 1 3 310.486 2.056 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000357917192 535233188 /nfs/dbraw/zinc/23/31/88/535233188.db2.gz KWQBHSUNKDKPFK-HUUCEWRRSA-N 1 3 310.486 2.056 20 0 DEADHO CC[NH+](CC)CCCNC(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000249291500 535514623 /nfs/dbraw/zinc/51/46/23/535514623.db2.gz AAQWLTGSDHSAJB-CVEARBPZSA-N 1 3 312.502 2.138 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1csc(C)n1 ZINC000349062766 535595778 /nfs/dbraw/zinc/59/57/78/535595778.db2.gz OBHJMAUAWYGHBP-INIZCTEOSA-N 1 3 310.511 2.299 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1csc(C)n1 ZINC000349062766 535595785 /nfs/dbraw/zinc/59/57/85/535595785.db2.gz OBHJMAUAWYGHBP-INIZCTEOSA-N 1 3 310.511 2.299 20 0 DEADHO CC[C@@H](C)[NH2+][C@H](CNC(=O)N1CCCN(C)CC1)c1ccco1 ZINC000357521296 535604833 /nfs/dbraw/zinc/60/48/33/535604833.db2.gz QROKMBVTWZGOAO-HUUCEWRRSA-N 1 3 322.453 2.056 20 0 DEADHO CCN1CC[NH+](CCCCNCc2ncc(Cl)s2)CC1 ZINC000349668804 535693648 /nfs/dbraw/zinc/69/36/48/535693648.db2.gz OEQLXWDIDHPRHE-UHFFFAOYSA-N 1 3 316.902 2.304 20 0 DEADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccncc2F)CC1 ZINC000340231100 535708598 /nfs/dbraw/zinc/70/85/98/535708598.db2.gz JUSBMKZQFMFYGE-GJZGRUSLSA-N 1 3 308.445 2.145 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458206224 536043264 /nfs/dbraw/zinc/04/32/64/536043264.db2.gz IPEKYDXQDDRBKO-HNNXBMFYSA-N 1 3 303.450 2.210 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458206224 536043269 /nfs/dbraw/zinc/04/32/69/536043269.db2.gz IPEKYDXQDDRBKO-HNNXBMFYSA-N 1 3 303.450 2.210 20 0 DEADHO CN(C)C(=O)c1cccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000357093624 536103885 /nfs/dbraw/zinc/10/38/85/536103885.db2.gz WYTRVKXLJQTZLE-GOSISDBHSA-N 1 3 315.461 2.210 20 0 DEADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000449097640 536353043 /nfs/dbraw/zinc/35/30/43/536353043.db2.gz FFJFCRRXGWXOEA-IRXDYDNUSA-N 1 3 319.493 2.300 20 0 DEADHO COC[C@@H](CC(C)C)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000359209774 536591653 /nfs/dbraw/zinc/59/16/53/536591653.db2.gz BBNHBFKIKGFKTB-MOPGFXCFSA-N 1 3 320.477 2.404 20 0 DEADHO COCCCOc1cccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000346835566 536626712 /nfs/dbraw/zinc/62/67/12/536626712.db2.gz TZELFELJYNUIJK-SZMVWBNQSA-N 1 3 304.434 2.271 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCC2CCCC2)C[C@@H]1C ZINC001425911507 1174509738 /nfs/dbraw/zinc/50/97/38/1174509738.db2.gz KKNYVOLEQHKTST-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO CCN1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001379653361 1152665717 /nfs/dbraw/zinc/66/57/17/1152665717.db2.gz SVAUBCQUTDLWJR-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC001362630366 1153018184 /nfs/dbraw/zinc/01/81/84/1153018184.db2.gz FKLOISPGYSODMM-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC001362630366 1153018190 /nfs/dbraw/zinc/01/81/90/1153018190.db2.gz FKLOISPGYSODMM-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO COc1ccccc1N1CC[C@H](CN[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000925542507 625283504 /nfs/dbraw/zinc/28/35/04/625283504.db2.gz PAADGQQWIPCPOB-OAGGEKHMSA-N 1 3 303.450 2.252 20 0 DEADHO CC(C)CCN1CCC([NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)CC1 ZINC000926600651 625446772 /nfs/dbraw/zinc/44/67/72/625446772.db2.gz MTFQZELTFFVGGQ-WKILWMFISA-N 1 3 309.498 2.378 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NC1CCC([NH2+]CCC2CC2)CC1 ZINC001026561235 625522753 /nfs/dbraw/zinc/52/27/53/625522753.db2.gz TUWZFTQIAYIKNW-ODIFPOPNSA-N 1 3 307.482 2.288 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001020586411 622927346 /nfs/dbraw/zinc/92/73/46/622927346.db2.gz NSWUBVAXXMNXML-BPUTZDHNSA-N 1 3 307.482 2.144 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC000969949613 623015727 /nfs/dbraw/zinc/01/57/27/623015727.db2.gz WCMBTEACGLRLOA-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC000969956028 623021777 /nfs/dbraw/zinc/02/17/77/623021777.db2.gz UKYVLUWTDCHIPO-FUHWJXTLSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC000969956029 623022544 /nfs/dbraw/zinc/02/25/44/623022544.db2.gz UKYVLUWTDCHIPO-SJLPKXTDSA-N 1 3 321.509 2.489 20 0 DEADHO CC(=O)OC1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000093453765 623188750 /nfs/dbraw/zinc/18/87/50/623188750.db2.gz ZKKYMZXUDFBQGK-UHFFFAOYSA-N 1 3 320.433 2.155 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001024178844 625657575 /nfs/dbraw/zinc/65/75/75/625657575.db2.gz GBJCPCVUVFQKNH-INIZCTEOSA-N 1 3 316.449 2.281 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]([NH2+]CC2CCC2)C1 ZINC000970788447 623682689 /nfs/dbraw/zinc/68/26/89/623682689.db2.gz LOPGOKMRAJDQQM-QGZVFWFLSA-N 1 3 315.461 2.352 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCCC2)C1 ZINC000970799660 623686765 /nfs/dbraw/zinc/68/67/65/623686765.db2.gz GLCQVCBCUGNGLV-IAGOWNOFSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000892449855 625679577 /nfs/dbraw/zinc/67/95/77/625679577.db2.gz LWZACQATFYNWJF-WKILWMFISA-N 1 3 324.513 2.267 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001026733210 625701043 /nfs/dbraw/zinc/70/10/43/625701043.db2.gz JIMQVEDPLWIGAM-SJLPKXTDSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccc([C@H](CNC(=O)NCCC(C)(C)[NH3+])N(C)C)cc1 ZINC000891446385 624187120 /nfs/dbraw/zinc/18/71/20/624187120.db2.gz MRUFAIAWIRMZKE-HNNXBMFYSA-N 1 3 306.454 2.024 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2F)C1 ZINC000998719543 634386079 /nfs/dbraw/zinc/38/60/79/634386079.db2.gz GURXUMPMBPRQQP-RDJZCZTQSA-N 1 3 319.424 2.001 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCC2CCCC2)C1)C1CC1 ZINC000971679829 624501926 /nfs/dbraw/zinc/50/19/26/624501926.db2.gz VMYRCNRZLDARIE-MSOLQXFVSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCC2CCCC2)C1)C1CC1 ZINC000971679829 624501928 /nfs/dbraw/zinc/50/19/28/624501928.db2.gz VMYRCNRZLDARIE-MSOLQXFVSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C(=O)NC[C@@H]1CCCCN1C1CC1)C1(C[NH3+])CCCCC1 ZINC000891857405 624631814 /nfs/dbraw/zinc/63/18/14/624631814.db2.gz ANPQSEPGQSOLJM-INIZCTEOSA-N 1 3 322.497 2.306 20 0 DEADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC3CCCC3)C2)C1 ZINC001022717053 624870557 /nfs/dbraw/zinc/87/05/57/624870557.db2.gz NYNBUTITCATLMB-IYBDPMFKSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)CC2CCCC2)C1 ZINC000972333225 624932574 /nfs/dbraw/zinc/93/25/74/624932574.db2.gz UVBGCNPBXZZHNJ-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)CC2CCCC2)C1 ZINC000972333225 624932575 /nfs/dbraw/zinc/93/25/75/624932575.db2.gz UVBGCNPBXZZHNJ-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(F)cc2)C1)N(C)C ZINC000972355000 624939453 /nfs/dbraw/zinc/93/94/53/624939453.db2.gz QLWVMBJOVJMAOQ-IRXDYDNUSA-N 1 3 321.440 2.199 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(F)cc2)C1)N(C)C ZINC000972355000 624939455 /nfs/dbraw/zinc/93/94/55/624939455.db2.gz QLWVMBJOVJMAOQ-IRXDYDNUSA-N 1 3 321.440 2.199 20 0 DEADHO CCn1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c(C)n1 ZINC000893037509 625070067 /nfs/dbraw/zinc/07/00/67/625070067.db2.gz HPGYSNFROVVZKD-HUUCEWRRSA-N 1 3 308.470 2.190 20 0 DEADHO CC1(C)[C@H](NC[C@@H](CO)Cc2ccccc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925504615 625113687 /nfs/dbraw/zinc/11/36/87/625113687.db2.gz QKMKXADWMQIYMI-XWTMOSNGSA-N 1 3 302.462 2.204 20 0 DEADHO CC1(C)[C@H]([NH2+]C[C@@H](CO)Cc2ccccc2)[C@@H]2CCCN[C@@H]21 ZINC000925504615 625113691 /nfs/dbraw/zinc/11/36/91/625113691.db2.gz QKMKXADWMQIYMI-XWTMOSNGSA-N 1 3 302.462 2.204 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@@H]([NH2+]CCC3CC3)C2)c1 ZINC001023126033 625164070 /nfs/dbraw/zinc/16/40/70/625164070.db2.gz GLOGFDWDDGADCF-HDICACEKSA-N 1 3 315.461 2.399 20 0 DEADHO CC[NH2+]C[C@H]1CCCCN1C(=O)c1ccccc1CN(C)C ZINC001025167355 625241530 /nfs/dbraw/zinc/24/15/30/625241530.db2.gz GSZPKIMOEXBIBT-MRXNPFEDSA-N 1 3 303.450 2.352 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001023401985 625253437 /nfs/dbraw/zinc/25/34/37/625253437.db2.gz CKMFQGVDGPIFCT-ROUUACIJSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001023401985 625253445 /nfs/dbraw/zinc/25/34/45/625253445.db2.gz CKMFQGVDGPIFCT-ROUUACIJSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946517607 634483816 /nfs/dbraw/zinc/48/38/16/634483816.db2.gz JIIOHNQYNDJXTM-ZJPYXAASSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946517607 634483819 /nfs/dbraw/zinc/48/38/19/634483819.db2.gz JIIOHNQYNDJXTM-ZJPYXAASSA-N 1 3 321.509 2.297 20 0 DEADHO Cc1ccccc1C[NH2+]C1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC000999469981 634601531 /nfs/dbraw/zinc/60/15/31/634601531.db2.gz PTOFSAAXAPLBLM-UHFFFAOYSA-N 1 3 312.417 2.040 20 0 DEADHO Cc1cnc(Cl)c(C[NH2+]C[C@H](C)CN2CCN(C)CC2)c1 ZINC000921685079 634633367 /nfs/dbraw/zinc/63/33/67/634633367.db2.gz FLYCBWCGFYXYHF-AWEZNQCLSA-N 1 3 310.873 2.017 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC000995806281 633119640 /nfs/dbraw/zinc/11/96/40/633119640.db2.gz WCTKUTZBDGVIJE-CVEARBPZSA-N 1 3 307.482 2.096 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC2CCC2)C(C)(C)C1 ZINC000995874450 633132829 /nfs/dbraw/zinc/13/28/29/633132829.db2.gz UYKJWGFDQZAXHQ-DLBZAZTESA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)C1(C(=O)N2C[C@@H]([NH2+]CC3CCCC3)C(C)(C)C2)CCC1 ZINC000995889946 633140041 /nfs/dbraw/zinc/14/00/41/633140041.db2.gz XHUITLMDWHSRRE-MRXNPFEDSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2C[C@H]([NH2+]CC3CCCC3)C(C)(C)C2)C1 ZINC000996302115 633232744 /nfs/dbraw/zinc/23/27/44/633232744.db2.gz WANGNSKMTADICT-WBVHZDCISA-N 1 3 321.509 2.345 20 0 DEADHO CN(CC(=O)N1CC[C@@H](C[NH2+]CC2CCCC2)C1)C1CCC1 ZINC001026888787 633249953 /nfs/dbraw/zinc/24/99/53/633249953.db2.gz NNEXKRMFULQNEW-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]CC2CCCCC2)CC1)C1CC1 ZINC000996674920 633342958 /nfs/dbraw/zinc/34/29/58/633342958.db2.gz DMEZGCUVSHIETA-GOSISDBHSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2cccc(F)c2)CC1)N(C)C ZINC000996713440 633366118 /nfs/dbraw/zinc/36/61/18/633366118.db2.gz VBUWRKDPMCBNGM-QGZVFWFLSA-N 1 3 321.440 2.247 20 0 DEADHO CC(=O)OC[C@H](C)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000893411809 633513503 /nfs/dbraw/zinc/51/35/03/633513503.db2.gz IJCNOVOXXGCDFZ-RLFYNMQTSA-N 1 3 304.434 2.438 20 0 DEADHO CC(=O)OC[C@H](C)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000893411809 633513504 /nfs/dbraw/zinc/51/35/04/633513504.db2.gz IJCNOVOXXGCDFZ-RLFYNMQTSA-N 1 3 304.434 2.438 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]CC2CCCC2)CC1 ZINC000996996859 633558845 /nfs/dbraw/zinc/55/88/45/633558845.db2.gz AWLNIRUPYXZWSZ-OAHLLOKOSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](CC2CC2)CC1 ZINC000997127024 633613255 /nfs/dbraw/zinc/61/32/55/633613255.db2.gz IMNNQPUXRCWHOI-CRAIPNDOSA-N 1 3 321.509 2.488 20 0 DEADHO C[N@@H+]1CCCN(C(=O)c2ccc(CN3CCCCC3)o2)CC1 ZINC000929224065 633820443 /nfs/dbraw/zinc/82/04/43/633820443.db2.gz IKHOFFFOZWZFIH-UHFFFAOYSA-N 1 3 305.422 2.043 20 0 DEADHO C[N@H+]1CCCN(C(=O)c2ccc(CN3CCCCC3)o2)CC1 ZINC000929224065 633820454 /nfs/dbraw/zinc/82/04/54/633820454.db2.gz IKHOFFFOZWZFIH-UHFFFAOYSA-N 1 3 305.422 2.043 20 0 DEADHO O=c1cc(CNC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc[nH]1 ZINC000921671656 634330931 /nfs/dbraw/zinc/33/09/31/634330931.db2.gz PXWYHGWLJCDJFV-SFHVURJKSA-N 1 3 311.429 2.441 20 0 DEADHO O=c1cc(CNC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc[nH]1 ZINC000921671656 634330935 /nfs/dbraw/zinc/33/09/35/634330935.db2.gz PXWYHGWLJCDJFV-SFHVURJKSA-N 1 3 311.429 2.441 20 0 DEADHO O=c1cc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cc[nH]1 ZINC000921671656 634330940 /nfs/dbraw/zinc/33/09/40/634330940.db2.gz PXWYHGWLJCDJFV-SFHVURJKSA-N 1 3 311.429 2.441 20 0 DEADHO C[C@@H]1C[C@@H](C[NH2+]Cc2ccsc2)CN1C(=O)Cc1c[nH]cn1 ZINC000980709372 635109323 /nfs/dbraw/zinc/10/93/23/635109323.db2.gz WQOOOSDGBSVETB-OCCSQVGLSA-N 1 3 318.446 2.041 20 0 DEADHO C[C@@H]1C[C@H](C[NH2+]CC2CCCC2)CN1C(=O)CN1CCCC1 ZINC000980802382 635160370 /nfs/dbraw/zinc/16/03/70/635160370.db2.gz YOJWWOHAZZWPAW-NVXWUHKLSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1CCCF ZINC001027986441 635165644 /nfs/dbraw/zinc/16/56/44/635165644.db2.gz XCGTWBLDMXMFCY-CVEARBPZSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1CCCF ZINC001027986441 635165647 /nfs/dbraw/zinc/16/56/47/635165647.db2.gz XCGTWBLDMXMFCY-CVEARBPZSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@@H](F)CN1CCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001028002636 635212603 /nfs/dbraw/zinc/21/26/03/635212603.db2.gz FXYDWQZEMHKREV-CABCVRRESA-N 1 3 318.396 2.277 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC000981143953 635330110 /nfs/dbraw/zinc/33/01/10/635330110.db2.gz XGBYWBQLXDVWAP-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C)C[N@H+]1CCCN(C(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC000981143953 635330117 /nfs/dbraw/zinc/33/01/17/635330117.db2.gz XGBYWBQLXDVWAP-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)(C(=O)N[C@H]1CCC[C@@H]([NH2+]CC2CC2)C1)N1CCCC1 ZINC000981269980 635413284 /nfs/dbraw/zinc/41/32/84/635413284.db2.gz FTROHCGRNVISBA-CVEARBPZSA-N 1 3 307.482 2.288 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC2CCC2)C1 ZINC000981485704 635500156 /nfs/dbraw/zinc/50/01/56/635500156.db2.gz KJFMZDPZCMRCAH-CABCVRRESA-N 1 3 304.438 2.078 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000981816374 635667516 /nfs/dbraw/zinc/66/75/16/635667516.db2.gz ZOJBJJHFNPTKKB-MRXNPFEDSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000981816374 635667520 /nfs/dbraw/zinc/66/75/20/635667520.db2.gz ZOJBJJHFNPTKKB-MRXNPFEDSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000981816373 635667804 /nfs/dbraw/zinc/66/78/04/635667804.db2.gz ZOJBJJHFNPTKKB-INIZCTEOSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C)C[N@H+]1CCCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000981816373 635667806 /nfs/dbraw/zinc/66/78/06/635667806.db2.gz ZOJBJJHFNPTKKB-INIZCTEOSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@@H+]1CCCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000982009692 635808548 /nfs/dbraw/zinc/80/85/48/635808548.db2.gz WXYXJAOZKGMDQH-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CCCC[N@H+]1CCCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000982009692 635808549 /nfs/dbraw/zinc/80/85/49/635808549.db2.gz WXYXJAOZKGMDQH-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC1CC[NH+](CC2CC(C)C2)CC1 ZINC001002953599 635858120 /nfs/dbraw/zinc/85/81/20/635858120.db2.gz ARUJAWCLQRQYBC-LEOMRAHMSA-N 1 3 321.509 2.488 20 0 DEADHO CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC000982163413 635890332 /nfs/dbraw/zinc/89/03/32/635890332.db2.gz ABONKXVFURIVNQ-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC000982163413 635890334 /nfs/dbraw/zinc/89/03/34/635890334.db2.gz ABONKXVFURIVNQ-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CCC)C[C@]2(C)C1 ZINC000982292461 635950767 /nfs/dbraw/zinc/95/07/67/635950767.db2.gz JZOIXYGTHFEUQI-YTQUADARSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](CCC)C[C@]2(C)C1 ZINC000982292461 635950769 /nfs/dbraw/zinc/95/07/69/635950769.db2.gz JZOIXYGTHFEUQI-YTQUADARSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cccc(O)c3)C2)[C@H]1C(C)C ZINC000922391519 636153458 /nfs/dbraw/zinc/15/34/58/636153458.db2.gz FFCUUBUFBASFJL-NCXUSEDFSA-N 1 3 318.461 2.352 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cccc(O)c3)C2)[C@H]1C(C)C ZINC000922391519 636153459 /nfs/dbraw/zinc/15/34/59/636153459.db2.gz FFCUUBUFBASFJL-NCXUSEDFSA-N 1 3 318.461 2.352 20 0 DEADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cncn1C(C)C)C2 ZINC000922391404 636153470 /nfs/dbraw/zinc/15/34/70/636153470.db2.gz WBBPAWVAQCRPCN-BRSBDYLESA-N 1 3 320.481 2.033 20 0 DEADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cncn1C(C)C)C2 ZINC000922391404 636153471 /nfs/dbraw/zinc/15/34/71/636153471.db2.gz WBBPAWVAQCRPCN-BRSBDYLESA-N 1 3 320.481 2.033 20 0 DEADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(C)s3)C2)[C@@H]1C(C)C ZINC000922394444 636155434 /nfs/dbraw/zinc/15/54/34/636155434.db2.gz WIHXZFVAFUXEOJ-NCOADZHNSA-N 1 3 323.506 2.411 20 0 DEADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(C)s3)C2)[C@@H]1C(C)C ZINC000922394444 636155437 /nfs/dbraw/zinc/15/54/37/636155437.db2.gz WIHXZFVAFUXEOJ-NCOADZHNSA-N 1 3 323.506 2.411 20 0 DEADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCN2C)CC1 ZINC000922575320 636248168 /nfs/dbraw/zinc/24/81/68/636248168.db2.gz GTLKPAXZLLQBQG-GOSISDBHSA-N 1 3 316.493 2.012 20 0 DEADHO CC[C@@H](C(=O)N1C[C@]2(C)C[N@H+](CC(C)C)C[C@]2(C)C1)N(C)C ZINC000982560872 636265242 /nfs/dbraw/zinc/26/52/42/636265242.db2.gz OYTWRBVHBKFSBX-RYQLBKOJSA-N 1 3 309.498 2.153 20 0 DEADHO CC[C@@H](C(=O)N1C[C@]2(C)C[N@@H+](CC(C)C)C[C@]2(C)C1)N(C)C ZINC000982560872 636265243 /nfs/dbraw/zinc/26/52/43/636265243.db2.gz OYTWRBVHBKFSBX-RYQLBKOJSA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001028537849 636329336 /nfs/dbraw/zinc/32/93/36/636329336.db2.gz TXUJTELJIQDDAD-DLBZAZTESA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001028537849 636329337 /nfs/dbraw/zinc/32/93/37/636329337.db2.gz TXUJTELJIQDDAD-DLBZAZTESA-N 1 3 307.482 2.264 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623169 636475272 /nfs/dbraw/zinc/47/52/72/636475272.db2.gz FPFVQDXMNCJPCN-FGTMMUONSA-N 1 3 321.509 2.297 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623169 636475276 /nfs/dbraw/zinc/47/52/76/636475276.db2.gz FPFVQDXMNCJPCN-FGTMMUONSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@H]([NH2+]CC1CCC1)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001004942818 636614890 /nfs/dbraw/zinc/61/48/90/636614890.db2.gz BDHMMOCLOPYJMA-BBRMVZONSA-N 1 3 304.438 2.112 20 0 DEADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(OC)ccn2)CC1 ZINC000924951438 636643615 /nfs/dbraw/zinc/64/36/15/636643615.db2.gz MATNRDZAXQCKLV-HZPDHXFCSA-N 1 3 320.481 2.014 20 0 DEADHO C[C@@H]([NH2+]CC1CCC1)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001029065263 637024580 /nfs/dbraw/zinc/02/45/80/637024580.db2.gz FFZOSJRSADRMNC-RHSMWYFYSA-N 1 3 307.482 2.097 20 0 DEADHO O[C@@H](Cn1c2ccccc2c2ccccc21)C[N@@H+]1CCCNCC1 ZINC000923278688 637079194 /nfs/dbraw/zinc/07/91/94/637079194.db2.gz ZMNDCQBTVLDEBK-MRXNPFEDSA-N 1 3 323.440 2.451 20 0 DEADHO O[C@@H](Cn1c2ccccc2c2ccccc21)C[N@H+]1CCCNCC1 ZINC000923278688 637079200 /nfs/dbraw/zinc/07/92/00/637079200.db2.gz ZMNDCQBTVLDEBK-MRXNPFEDSA-N 1 3 323.440 2.451 20 0 DEADHO [NH3+]C[C@@H]1CCCN(C[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000923279468 637080093 /nfs/dbraw/zinc/08/00/93/637080093.db2.gz BOJSCLFSKLEEIT-IEZWGBDMSA-N 1 3 318.461 2.112 20 0 DEADHO C[C@](C[NH3+])(NC[C@H](O)CO[C@H]1CCCc2ccccc21)C1CC1 ZINC000923296190 637097960 /nfs/dbraw/zinc/09/79/60/637097960.db2.gz OPMYKTYHOZKXGA-YTQUADARSA-N 1 3 318.461 2.159 20 0 DEADHO C[C@]1(C[NH3+])CCN(C[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000923357614 637131176 /nfs/dbraw/zinc/13/11/76/637131176.db2.gz ZBDIPUCXBLNNMP-NZSAHSFTSA-N 1 3 318.461 2.112 20 0 DEADHO C[NH+]1CCC(CN2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)CC1 ZINC000894688033 637164241 /nfs/dbraw/zinc/16/42/41/637164241.db2.gz LRAUSTFFIIVIJD-ROUUACIJSA-N 1 3 306.425 2.128 20 0 DEADHO Cc1cc(C)c(CN2CCC3(CO[C@H](C[NH3+])C3)CC2)c(C)n1 ZINC000923443554 637179194 /nfs/dbraw/zinc/17/91/94/637179194.db2.gz FQDDNPCPQNABNH-INIZCTEOSA-N 1 3 303.450 2.337 20 0 DEADHO C[C@H]1CN(CC(=O)NC2(c3ccccc3)CCC2)CC[C@@H]1C[NH3+] ZINC000923496485 637207527 /nfs/dbraw/zinc/20/75/27/637207527.db2.gz IWKUGPJGOUBXFT-JKSUJKDBSA-N 1 3 315.461 2.099 20 0 DEADHO Cc1ccc([C@@H](C)NC(=O)CN2CC[C@H](CC[NH3+])C2)cc1C ZINC000923489616 637208339 /nfs/dbraw/zinc/20/83/39/637208339.db2.gz PYCLCJBARSTFBK-CVEARBPZSA-N 1 3 303.450 2.151 20 0 DEADHO CC[C@@H](C(=O)Nc1ccc(OC)cc1)N1CC[C@H](CC[NH3+])C1 ZINC000923489523 637208739 /nfs/dbraw/zinc/20/87/39/637208739.db2.gz YJBIQOZDQDVHOQ-BBRMVZONSA-N 1 3 305.422 2.083 20 0 DEADHO O=C1[C@H](N2CCC([C@H]3CCC[NH2+]CC3)CC2)CCN1C1CCC1 ZINC000923506221 637221075 /nfs/dbraw/zinc/22/10/75/637221075.db2.gz IZUZSHUOGNGGPP-MAUKXSAKSA-N 1 3 319.493 2.242 20 0 DEADHO C[C@@H]([NH2+]CC1CCC1)C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001029107369 637239097 /nfs/dbraw/zinc/23/90/97/637239097.db2.gz LZAUCHHNVUEPMZ-KDOFPFPSSA-N 1 3 321.509 2.343 20 0 DEADHO COCCN(CC1CC[NH+](C)CC1)c1cc(N)ncc1Cl ZINC000894862275 637271067 /nfs/dbraw/zinc/27/10/67/637271067.db2.gz FZRPZNAHQSKZNV-UHFFFAOYSA-N 1 3 312.845 2.112 20 0 DEADHO C[C@H]([NH2+]CC1CCC1)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001029146420 637276159 /nfs/dbraw/zinc/27/61/59/637276159.db2.gz JIEFWQPVEGUHSE-HOTGVXAUSA-N 1 3 321.509 2.345 20 0 DEADHO C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000838150622 637473252 /nfs/dbraw/zinc/47/32/52/637473252.db2.gz VGICNNPBGHEYTI-WMLDXEAASA-N 1 3 313.461 2.047 20 0 DEADHO C[N@H+]1CCC[C@@H](CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000838150622 637473254 /nfs/dbraw/zinc/47/32/54/637473254.db2.gz VGICNNPBGHEYTI-WMLDXEAASA-N 1 3 313.461 2.047 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)NCC[C@@H](C)[NH+](C)C)cc1 ZINC000895292983 637896437 /nfs/dbraw/zinc/89/64/37/637896437.db2.gz FDTSKLFCHRWSBO-UONOGXRCSA-N 1 3 307.438 2.342 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@@H](C)N(C)C)cc1 ZINC000895292983 637896442 /nfs/dbraw/zinc/89/64/42/637896442.db2.gz FDTSKLFCHRWSBO-UONOGXRCSA-N 1 3 307.438 2.342 20 0 DEADHO CO[C@H](CN1CCN(c2cc[nH+]cc2)[C@H](C)C1)C1CCOCC1 ZINC000895557966 638084129 /nfs/dbraw/zinc/08/41/29/638084129.db2.gz UICPENGXUDQMIY-CRAIPNDOSA-N 1 3 319.449 2.034 20 0 DEADHO CC[NH+](CC)CCNC(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC000895579687 638099707 /nfs/dbraw/zinc/09/97/07/638099707.db2.gz AHAAMCWBGNIRLV-QGZVFWFLSA-N 1 3 321.465 2.192 20 0 DEADHO C[N@@H+]1CC[C@H]2CN(C[C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000895841126 638220101 /nfs/dbraw/zinc/22/01/01/638220101.db2.gz DLJOTAIXANJPDL-CAOSSQGBSA-N 1 3 323.481 2.316 20 0 DEADHO C[N@H+]1CC[C@H]2CN(C[C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000895841126 638220105 /nfs/dbraw/zinc/22/01/05/638220105.db2.gz DLJOTAIXANJPDL-CAOSSQGBSA-N 1 3 323.481 2.316 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@@H]2CCN[C@H](C)C2)C1 ZINC000841061835 650418530 /nfs/dbraw/zinc/41/85/30/650418530.db2.gz NOJFTCCKESMZDL-FVCCEPFGSA-N 1 3 304.381 2.084 20 0 DEADHO C[NH2+]C[C@H]1CCCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000237268445 638637491 /nfs/dbraw/zinc/63/74/91/638637491.db2.gz KBKIVTBSRJCSGR-QGZVFWFLSA-N 1 3 301.434 2.106 20 0 DEADHO C[N@H+](CC1CCCC1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985789019 639636917 /nfs/dbraw/zinc/63/69/17/639636917.db2.gz GMAHKCQQYNNMMS-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO C[N@@H+](CC1CCCC1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985789019 639636920 /nfs/dbraw/zinc/63/69/20/639636920.db2.gz GMAHKCQQYNNMMS-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO Cc1cc(CNCC2(O)CC[NH+](C(C)C)CC2)cnc1Cl ZINC000760703616 640220686 /nfs/dbraw/zinc/22/06/86/640220686.db2.gz PRHWVBBZRYMMPM-UHFFFAOYSA-N 1 3 311.857 2.368 20 0 DEADHO C[C@H]1[C@H]([NH2+]CC2CC2)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC000987565642 640223533 /nfs/dbraw/zinc/22/35/33/640223533.db2.gz FMMGBAGZKZQOSN-KBXCAEBGSA-N 1 3 315.461 2.351 20 0 DEADHO CC(C)N1CCN(C2CC[NH+](CCCCCCO)CC2)CC1 ZINC000761124840 640274468 /nfs/dbraw/zinc/27/44/68/640274468.db2.gz USXJZLLBHCTECR-UHFFFAOYSA-N 1 3 311.514 2.030 20 0 DEADHO C[C@@H]1CN(C(=O)NC2CCC([NH+]3CCCCC3)CC2)[C@@H](C)CN1 ZINC000841856317 650581761 /nfs/dbraw/zinc/58/17/61/650581761.db2.gz UTCBMBJHQUWTAJ-XNIRIUNOSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)CN1C(=O)Cc1c[nH]cn1 ZINC000989493052 641123624 /nfs/dbraw/zinc/12/36/24/641123624.db2.gz QTBITNJHMJWHQB-XJKSGUPXSA-N 1 3 302.422 2.032 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)CN1C(=O)CN1CCCC1 ZINC000989797360 641236097 /nfs/dbraw/zinc/23/60/97/641236097.db2.gz XPBBOBCTKAZWBQ-WMLDXEAASA-N 1 3 319.424 2.001 20 0 DEADHO Cc1cccc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000990245765 641410488 /nfs/dbraw/zinc/41/04/88/641410488.db2.gz XJDFWWOQQAHAHJ-SFHVURJKSA-N 1 3 315.461 2.170 20 0 DEADHO Cc1ccccc1C[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000990275619 641430005 /nfs/dbraw/zinc/43/00/05/641430005.db2.gz BYCWKKVMBFUKMO-GOSISDBHSA-N 1 3 315.461 2.170 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC000990276333 641430060 /nfs/dbraw/zinc/43/00/60/641430060.db2.gz HJNKMQUSTDYBEE-MRXNPFEDSA-N 1 3 307.482 2.097 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000926916790 641490275 /nfs/dbraw/zinc/49/02/75/641490275.db2.gz QZMLXMIFCKVGHB-BMNJFWBPSA-N 1 3 306.372 2.416 20 0 DEADHO CCCN1CC[C@H](C[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)C1 ZINC000924751777 641975605 /nfs/dbraw/zinc/97/56/05/641975605.db2.gz LKWPAPDLTBKLCP-NJAFHUGGSA-N 1 3 304.482 2.453 20 0 DEADHO CN(C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000899990660 642231309 /nfs/dbraw/zinc/23/13/09/642231309.db2.gz PAYHQKUOSFQHPC-ROUUACIJSA-N 1 3 315.461 2.381 20 0 DEADHO CN(C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000899990660 642231313 /nfs/dbraw/zinc/23/13/13/642231313.db2.gz PAYHQKUOSFQHPC-ROUUACIJSA-N 1 3 315.461 2.381 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000900333904 642323359 /nfs/dbraw/zinc/32/33/59/642323359.db2.gz FXLDVUVSFFOACV-NVXWUHKLSA-N 1 3 313.445 2.034 20 0 DEADHO CN(CCCCCCC[NH3+])[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000842473171 650748279 /nfs/dbraw/zinc/74/82/79/650748279.db2.gz QJKMSLHXNMZIPT-HUUCEWRRSA-N 1 3 304.500 2.183 20 0 DEADHO C[N@@H+]1CCC[C@H]2CN(CC3CN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000779478295 642503939 /nfs/dbraw/zinc/50/39/39/642503939.db2.gz OLODLHWHUWCKQP-JKSUJKDBSA-N 1 3 323.481 2.269 20 0 DEADHO C[N@H+]1CCC[C@H]2CN(CC3CN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000779478295 642503944 /nfs/dbraw/zinc/50/39/44/642503944.db2.gz OLODLHWHUWCKQP-JKSUJKDBSA-N 1 3 323.481 2.269 20 0 DEADHO CN1CCC[C@H]2C[N@H+](CC3CN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000779478295 642503948 /nfs/dbraw/zinc/50/39/48/642503948.db2.gz OLODLHWHUWCKQP-JKSUJKDBSA-N 1 3 323.481 2.269 20 0 DEADHO CN1CCC[C@H]2C[N@@H+](CC3CN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000779478295 642503954 /nfs/dbraw/zinc/50/39/54/642503954.db2.gz OLODLHWHUWCKQP-JKSUJKDBSA-N 1 3 323.481 2.269 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000901088705 642563507 /nfs/dbraw/zinc/56/35/07/642563507.db2.gz MBAVYNLUGZLPRD-HNNXBMFYSA-N 1 3 318.465 2.455 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000901088705 642563511 /nfs/dbraw/zinc/56/35/11/642563511.db2.gz MBAVYNLUGZLPRD-HNNXBMFYSA-N 1 3 318.465 2.455 20 0 DEADHO CC1(C)C[NH2+]CC[C@@H](NCc2ccc(Cn3cncn3)cc2)C1 ZINC000902336182 643009435 /nfs/dbraw/zinc/00/94/35/643009435.db2.gz WFIGTKWNOPXWKD-QGZVFWFLSA-N 1 3 313.449 2.194 20 0 DEADHO CC1(C)C[NH2+]CC[C@@H](NCCNC(=O)c2ccccc2Cl)C1 ZINC000902364160 643020901 /nfs/dbraw/zinc/02/09/01/643020901.db2.gz PKCRVXAKSWANQQ-CYBMUJFWSA-N 1 3 323.868 2.438 20 0 DEADHO CO[C@@H]1CCC[C@@H]1NCc1ccncc1OCCC[NH+](C)C ZINC000903170678 643280699 /nfs/dbraw/zinc/28/06/99/643280699.db2.gz AOFTWOICSGSXFO-JKSUJKDBSA-N 1 3 307.438 2.069 20 0 DEADHO C[C@@H]1C[C@@]2(CC[C@@H](CNC3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)O2)CO1 ZINC000903219173 643294022 /nfs/dbraw/zinc/29/40/22/643294022.db2.gz GMVYGLBGPSJXFO-FNWGVUOVSA-N 1 3 320.477 2.460 20 0 DEADHO C[C@@H]1C[C@@]2(CC[C@@H](CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)O2)CO1 ZINC000903219173 643294026 /nfs/dbraw/zinc/29/40/26/643294026.db2.gz GMVYGLBGPSJXFO-FNWGVUOVSA-N 1 3 320.477 2.460 20 0 DEADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC2CC(CC(N)=O)C2)CC1 ZINC000903261105 643303319 /nfs/dbraw/zinc/30/33/19/643303319.db2.gz PQGPRYNUPMEDGH-LYSZQXJVSA-N 1 3 307.482 2.273 20 0 DEADHO C[C@@H]1C[C@@H](N[C@@H](CC[NH+](C)C)c2cccnc2)CN1C1CC1 ZINC000903384058 643336155 /nfs/dbraw/zinc/33/61/55/643336155.db2.gz PKYWFXMZTAIVJI-KYJSFNMBSA-N 1 3 302.466 2.289 20 0 DEADHO CC(C)(C)C(=O)NC[C@H]1CCCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903729706 643441820 /nfs/dbraw/zinc/44/18/20/643441820.db2.gz QVDKZHIFADTGBQ-JKSUJKDBSA-N 1 3 309.498 2.250 20 0 DEADHO c1cncc([C@@H]2CCCN2C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903753508 643447297 /nfs/dbraw/zinc/44/72/97/643447297.db2.gz VKKPUZSDAXYZBN-IRXDYDNUSA-N 1 3 301.434 2.377 20 0 DEADHO C[C@@H](C(=O)NC(C)(C)C)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793995 643457618 /nfs/dbraw/zinc/45/76/18/643457618.db2.gz MJSPZMBIMDMGOS-HNNXBMFYSA-N 1 3 317.477 2.282 20 0 DEADHO NC(=O)c1ccc(CN2CCCC[C@@H]2C2(C[NH3+])CCC2)cc1 ZINC000903812967 643470877 /nfs/dbraw/zinc/47/08/77/643470877.db2.gz BXJNECIYRVRRPZ-MRXNPFEDSA-N 1 3 301.434 2.269 20 0 DEADHO [NH3+]CC1([C@H]2CCCCN2C[C@@H](O)COc2ccccc2)CCC1 ZINC000903810759 643471063 /nfs/dbraw/zinc/47/10/63/643471063.db2.gz GUXDMCITDULAGN-SJLPKXTDSA-N 1 3 318.461 2.410 20 0 DEADHO C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCNCCC12CCOCC2 ZINC000903814486 643471688 /nfs/dbraw/zinc/47/16/88/643471688.db2.gz DVLWRKLBHSCKKS-SJORKVTESA-N 1 3 310.482 2.426 20 0 DEADHO C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCNCCC12CCOCC2 ZINC000903814486 643471692 /nfs/dbraw/zinc/47/16/92/643471692.db2.gz DVLWRKLBHSCKKS-SJORKVTESA-N 1 3 310.482 2.426 20 0 DEADHO C[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)C[C@H](C)N1CC(F)(F)F ZINC000903875389 643493003 /nfs/dbraw/zinc/49/30/03/643493003.db2.gz PCZZNYNKUSVFEX-MJBXVCDLSA-N 1 3 307.404 2.333 20 0 DEADHO CCN(Cc1cccs1)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903877757 643493801 /nfs/dbraw/zinc/49/38/01/643493801.db2.gz PNYAELYURUBDBR-CQSZACIVSA-N 1 3 306.479 2.430 20 0 DEADHO CC[N@H+](CCc1cccs1)C[C@H](CN)Cc1cnn(C)c1C ZINC000903887164 643497975 /nfs/dbraw/zinc/49/79/75/643497975.db2.gz ZRRAGHSKAPMUIM-HNNXBMFYSA-N 1 3 320.506 2.472 20 0 DEADHO CC[N@@H+](CCc1cccs1)C[C@H](CN)Cc1cnn(C)c1C ZINC000903887164 643497977 /nfs/dbraw/zinc/49/79/77/643497977.db2.gz ZRRAGHSKAPMUIM-HNNXBMFYSA-N 1 3 320.506 2.472 20 0 DEADHO CCN(CCc1cccs1)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903887164 643497981 /nfs/dbraw/zinc/49/79/81/643497981.db2.gz ZRRAGHSKAPMUIM-HNNXBMFYSA-N 1 3 320.506 2.472 20 0 DEADHO COc1ccccc1-n1nccc1CN1CC[C@@H](CC[NH3+])C1 ZINC000904405015 643660256 /nfs/dbraw/zinc/66/02/56/643660256.db2.gz GZABGKSLOUVJJJ-CQSZACIVSA-N 1 3 300.406 2.052 20 0 DEADHO C[C@@H]1C[C@@H](CN(C)CC(=O)NCCC2=CCCCC2)CC[NH2+]1 ZINC000904442755 643673002 /nfs/dbraw/zinc/67/30/02/643673002.db2.gz GUSYALWGEWKTAI-WBVHZDCISA-N 1 3 307.482 2.313 20 0 DEADHO O[C@H](CNCc1ccccc1C[NH+]1CCCC1)C1(O)CCCC1 ZINC000905026085 643775017 /nfs/dbraw/zinc/77/50/17/643775017.db2.gz MVPJBOXFTVWNDH-GOSISDBHSA-N 1 3 318.461 2.038 20 0 DEADHO C[C@](O)(CNC[C@@H]1CC[N@@H+](C2CC2)C1)C(F)(F)C(F)(F)F ZINC000905058061 643782854 /nfs/dbraw/zinc/78/28/54/643782854.db2.gz CFCIMQADFDCSAZ-ONGXEEELSA-N 1 3 316.314 2.009 20 0 DEADHO C[C@](O)(CNC[C@@H]1CC[N@H+](C2CC2)C1)C(F)(F)C(F)(F)F ZINC000905058061 643782859 /nfs/dbraw/zinc/78/28/59/643782859.db2.gz CFCIMQADFDCSAZ-ONGXEEELSA-N 1 3 316.314 2.009 20 0 DEADHO C[C@](O)(C[NH2+]C[C@@H]1CCN(C2CC2)C1)C(F)(F)C(F)(F)F ZINC000905058061 643782862 /nfs/dbraw/zinc/78/28/62/643782862.db2.gz CFCIMQADFDCSAZ-ONGXEEELSA-N 1 3 316.314 2.009 20 0 DEADHO C(c1noc(C2CN(C3CCCCC3)C2)n1)C1CC[NH2+]CC1 ZINC000905309614 643870974 /nfs/dbraw/zinc/87/09/74/643870974.db2.gz ZNKKNYFOLOIJIA-UHFFFAOYSA-N 1 3 304.438 2.344 20 0 DEADHO CCSc1ccccc1CCNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000905563995 643951535 /nfs/dbraw/zinc/95/15/35/643951535.db2.gz JJOJLDCJAGXTPW-MRXNPFEDSA-N 1 3 308.491 2.386 20 0 DEADHO CCSc1ccccc1CCNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000905563995 643951539 /nfs/dbraw/zinc/95/15/39/643951539.db2.gz JJOJLDCJAGXTPW-MRXNPFEDSA-N 1 3 308.491 2.386 20 0 DEADHO C[C@H](O)c1ncc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000843126059 650901421 /nfs/dbraw/zinc/90/14/21/650901421.db2.gz FOHQAKTUHSIVPK-MJBXVCDLSA-N 1 3 309.479 2.408 20 0 DEADHO COC(=O)COc1c(C)cc(CN[C@@H](C)C[C@@H](C)[NH3+])cc1C ZINC000843129938 650902967 /nfs/dbraw/zinc/90/29/67/650902967.db2.gz UZOPPJXQCGUCNE-KGLIPLIRSA-N 1 3 308.422 2.071 20 0 DEADHO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)[C@H]1CNCc2ccccc21 ZINC000843343719 650953692 /nfs/dbraw/zinc/95/36/92/650953692.db2.gz WZDQYMRFKZCTLC-SFHVURJKSA-N 1 3 321.424 2.312 20 0 DEADHO C[C@@H]1CN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCN(C2CCC2)C1 ZINC000908356824 644844015 /nfs/dbraw/zinc/84/40/15/644844015.db2.gz BQXZXWWDZIWNLE-CGTJXYLNSA-N 1 3 319.493 2.336 20 0 DEADHO C[C@@H]1CN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CCN(C2CCC2)C1 ZINC000908356824 644844016 /nfs/dbraw/zinc/84/40/16/644844016.db2.gz BQXZXWWDZIWNLE-CGTJXYLNSA-N 1 3 319.493 2.336 20 0 DEADHO Cc1ccc(N2CC[C@@H](N3CCC[C@@H](CC[NH3+])C3)C2=O)cc1 ZINC000843378440 650961995 /nfs/dbraw/zinc/96/19/95/650961995.db2.gz XBIDRGVMXJMTSJ-DOTOQJQBSA-N 1 3 301.434 2.161 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000799028937 645110661 /nfs/dbraw/zinc/11/06/61/645110661.db2.gz IPDPMSIJMCTCFE-HZPDHXFCSA-N 1 3 307.482 2.194 20 0 DEADHO COc1c(C)cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1C ZINC000799346698 645162462 /nfs/dbraw/zinc/16/24/62/645162462.db2.gz PTMNFNJQECNTHL-UHFFFAOYSA-N 1 3 319.493 2.428 20 0 DEADHO CC(C)C[C@H]([NH3+])CC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000911636443 645758913 /nfs/dbraw/zinc/75/89/13/645758913.db2.gz PNUOBJCHCAUFIF-SFHVURJKSA-N 1 3 317.477 2.484 20 0 DEADHO N[C@H](C(=O)Nc1cccc(OCC[NH3+])c1)C1CCCCCC1 ZINC000911761020 645825551 /nfs/dbraw/zinc/82/55/51/645825551.db2.gz IMMKUJBUSSNJLW-INIZCTEOSA-N 1 3 305.422 2.260 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000911790279 645829733 /nfs/dbraw/zinc/82/97/33/645829733.db2.gz PFPOHKQUBSRPQS-QGZVFWFLSA-N 1 3 301.434 2.297 20 0 DEADHO C[C@@]1(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CN2CCC1CC2 ZINC000912378371 646038801 /nfs/dbraw/zinc/03/88/01/646038801.db2.gz ILWMBYSKPYKKQY-HNAYVOBHSA-N 1 3 319.493 2.242 20 0 DEADHO C[C@@]1(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CN2CCC1CC2 ZINC000912378371 646038804 /nfs/dbraw/zinc/03/88/04/646038804.db2.gz ILWMBYSKPYKKQY-HNAYVOBHSA-N 1 3 319.493 2.242 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC(C)([NH+](C)C)CC2)c1 ZINC000913396740 646340793 /nfs/dbraw/zinc/34/07/93/646340793.db2.gz GWOMTADHPBAWTM-UHFFFAOYSA-N 1 3 303.450 2.305 20 0 DEADHO CN1CCC(NC(=S)Nc2ccc(C[NH+](C)C)cc2)CC1 ZINC000063149010 646758654 /nfs/dbraw/zinc/75/86/54/646758654.db2.gz QGVYXOUTFHKFIT-UHFFFAOYSA-N 1 3 306.479 2.129 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c1 ZINC000929563641 646881524 /nfs/dbraw/zinc/88/15/24/646881524.db2.gz QRDYUGRPIOSZGX-MAUKXSAKSA-N 1 3 316.449 2.164 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c1 ZINC000929563641 646881528 /nfs/dbraw/zinc/88/15/28/646881528.db2.gz QRDYUGRPIOSZGX-MAUKXSAKSA-N 1 3 316.449 2.164 20 0 DEADHO CC[NH+]1CCC(N2CCCN(CCC(=O)C(C)C)CC2)CC1 ZINC000817284986 647258144 /nfs/dbraw/zinc/25/81/44/647258144.db2.gz CSTQLGICJFORQM-UHFFFAOYSA-N 1 3 309.498 2.094 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000817890419 647371393 /nfs/dbraw/zinc/37/13/93/647371393.db2.gz SZRYLSUKYJCUAZ-DIFFPNOSSA-N 1 3 303.381 2.372 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(N2CCOC2=O)cc1 ZINC000817921939 647382172 /nfs/dbraw/zinc/38/21/72/647382172.db2.gz LEBXDIOAJIVAJC-ZBFHGGJFSA-N 1 3 303.406 2.250 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](CCO)Cc1ccccc1 ZINC000817931891 647386110 /nfs/dbraw/zinc/38/61/10/647386110.db2.gz UQCWDPWKXKJZPN-RHSMWYFYSA-N 1 3 313.445 2.493 20 0 DEADHO C[C@@H](CC(=O)Nc1cccnc1Cl)N[C@@H]1CCC[NH2+]CC1 ZINC000817968475 647396558 /nfs/dbraw/zinc/39/65/58/647396558.db2.gz JYHVNSHALWLXHY-NWDGAFQWSA-N 1 3 310.829 2.184 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)CCN1C ZINC000919651973 648169497 /nfs/dbraw/zinc/16/94/97/648169497.db2.gz SBCUALWIPKMZPY-CVEARBPZSA-N 1 3 310.486 2.034 20 0 DEADHO CC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825451572 648763623 /nfs/dbraw/zinc/76/36/23/648763623.db2.gz JJQKLBSKRPYIHF-ZDUSSCGKSA-N 1 3 314.437 2.249 20 0 DEADHO CC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825451572 648763628 /nfs/dbraw/zinc/76/36/28/648763628.db2.gz JJQKLBSKRPYIHF-ZDUSSCGKSA-N 1 3 314.437 2.249 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000825548024 648778853 /nfs/dbraw/zinc/77/88/53/648778853.db2.gz VEDLQYLLAJCCDH-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC000826833036 648933510 /nfs/dbraw/zinc/93/35/10/648933510.db2.gz WLIZXTDWAXQRST-ZACQAIPSSA-N 1 3 309.498 2.438 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCCCCCC[NH+]2CCCC2)C1 ZINC000847383192 651393185 /nfs/dbraw/zinc/39/31/85/651393185.db2.gz CXLPZAKCXKUTMM-KRWDZBQOSA-N 1 3 309.498 2.491 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000854497866 651489857 /nfs/dbraw/zinc/48/98/57/651489857.db2.gz AUTNHVGVTJVHCA-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CC[NH+]1CCC(CNCc2ccc(/C=C/C(=O)OC)o2)CC1 ZINC000848894339 651549478 /nfs/dbraw/zinc/54/94/78/651549478.db2.gz CTSPIXCRVZSDFC-VOTSOKGWSA-N 1 3 306.406 2.287 20 0 DEADHO C[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)N1CCCC1 ZINC000848986638 651572532 /nfs/dbraw/zinc/57/25/32/651572532.db2.gz OHOGQCVDWWOJOD-ZFWWWQNUSA-N 1 3 302.422 2.108 20 0 DEADHO CCN(C)c1ccccc1CNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000849006309 651579567 /nfs/dbraw/zinc/57/95/67/651579567.db2.gz VGBXYKDVFJXCBI-MRXNPFEDSA-N 1 3 317.481 2.241 20 0 DEADHO C=Cc1ccc(CCNC(=[NH2+])NC[C@@H]2CCCN2CC)cc1 ZINC000849030132 651588757 /nfs/dbraw/zinc/58/87/57/651588757.db2.gz HRKWEVSTJWWYBN-KRWDZBQOSA-N 1 3 300.450 2.470 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC000849038557 651591621 /nfs/dbraw/zinc/59/16/21/651591621.db2.gz RPZONRIXKHHDFP-BHYGNILZSA-N 1 3 316.449 2.149 20 0 DEADHO C[NH+](C)CCc1ccc(C(=O)NC[C@H]2CCN2C(C)(C)C)cc1 ZINC000855163109 651637309 /nfs/dbraw/zinc/63/73/09/651637309.db2.gz SMQXMHDDZFFNRF-QGZVFWFLSA-N 1 3 317.477 2.393 20 0 DEADHO C[C@H](O)c1ncc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000849350783 651655391 /nfs/dbraw/zinc/65/53/91/651655391.db2.gz WDOQBMHVSMYJOZ-JSGCOSHPSA-N 1 3 309.479 2.408 20 0 DEADHO Cc1csc(CNCC2CC[NH+](C3CCOCC3)CC2)n1 ZINC000850344727 651903697 /nfs/dbraw/zinc/90/36/97/651903697.db2.gz UFFLVBRQCPIKKS-UHFFFAOYSA-N 1 3 309.479 2.432 20 0 DEADHO CC[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H](C)N1 ZINC000856408812 651922489 /nfs/dbraw/zinc/92/24/89/651922489.db2.gz UFHZKGKAOYYZQF-WMLDXEAASA-N 1 3 303.450 2.003 20 0 DEADHO CC[C@H](O)C[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856600582 651956122 /nfs/dbraw/zinc/95/61/22/651956122.db2.gz VEJVIGPKBYLXEO-FUHWJXTLSA-N 1 3 321.465 2.146 20 0 DEADHO CC[C@H](O)C[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856600582 651956129 /nfs/dbraw/zinc/95/61/29/651956129.db2.gz VEJVIGPKBYLXEO-FUHWJXTLSA-N 1 3 321.465 2.146 20 0 DEADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000858135726 652262196 /nfs/dbraw/zinc/26/21/96/652262196.db2.gz AJTMAWIPCDJZEH-UONOGXRCSA-N 1 3 311.470 2.458 20 0 DEADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000858135726 652262200 /nfs/dbraw/zinc/26/22/00/652262200.db2.gz AJTMAWIPCDJZEH-UONOGXRCSA-N 1 3 311.470 2.458 20 0 DEADHO O=C1CC[C@H](C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)O1 ZINC000852039230 652320214 /nfs/dbraw/zinc/32/02/14/652320214.db2.gz CYRIPWZIHRKZLN-MJGOQNOKSA-N 1 3 314.429 2.290 20 0 DEADHO O=C1CC[C@H](C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)O1 ZINC000852039230 652320217 /nfs/dbraw/zinc/32/02/17/652320217.db2.gz CYRIPWZIHRKZLN-MJGOQNOKSA-N 1 3 314.429 2.290 20 0 DEADHO CN1CC[C@@]2(C1)CCC[N@H+](CCCNC(=O)OC(C)(C)C)C2 ZINC000852104787 652341069 /nfs/dbraw/zinc/34/10/69/652341069.db2.gz FUDNBDZULDPVMF-QGZVFWFLSA-N 1 3 311.470 2.319 20 0 DEADHO CN1CC[C@@]2(C1)CCC[N@@H+](CCCNC(=O)OC(C)(C)C)C2 ZINC000852104787 652341071 /nfs/dbraw/zinc/34/10/71/652341071.db2.gz FUDNBDZULDPVMF-QGZVFWFLSA-N 1 3 311.470 2.319 20 0 DEADHO CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)C1 ZINC000852864540 652472165 /nfs/dbraw/zinc/47/21/65/652472165.db2.gz ZOHOSOFDVLEKPY-UONOGXRCSA-N 1 3 324.856 2.034 20 0 DEADHO CCC[N@H+]1CC[C@H](NC(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)C1 ZINC000852864540 652472166 /nfs/dbraw/zinc/47/21/66/652472166.db2.gz ZOHOSOFDVLEKPY-UONOGXRCSA-N 1 3 324.856 2.034 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@H](O)c1cccc2ccccc21 ZINC000854221002 652659526 /nfs/dbraw/zinc/65/95/26/652659526.db2.gz DQJQRDIWZAVBEX-YFYLHZKVSA-N 1 3 314.429 2.215 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001391826668 1156811253 /nfs/dbraw/zinc/81/12/53/1156811253.db2.gz NCNRLCFPROJUHF-KLHDSHLOSA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC(CCN(C)CCF)CC1)[NH+](C)C ZINC001374403850 1157841152 /nfs/dbraw/zinc/84/11/52/1157841152.db2.gz TWIARRGGKBAULD-INIZCTEOSA-N 1 3 315.477 2.103 20 0 DEADHO CCCC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001374403730 1157841597 /nfs/dbraw/zinc/84/15/97/1157841597.db2.gz NPNSEJIMMNQFCI-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001374403730 1157841598 /nfs/dbraw/zinc/84/15/98/1157841598.db2.gz NPNSEJIMMNQFCI-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[N@H+](C)Cc1ccccc1 ZINC000120115902 684092516 /nfs/dbraw/zinc/09/25/16/684092516.db2.gz SVWQJLIOCDQCLG-MRXNPFEDSA-N 1 3 317.477 2.498 20 0 DEADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[N@@H+](C)Cc1ccccc1 ZINC000120115902 684092518 /nfs/dbraw/zinc/09/25/18/684092518.db2.gz SVWQJLIOCDQCLG-MRXNPFEDSA-N 1 3 317.477 2.498 20 0 DEADHO CN(C)C1(C(=O)NCCC[N@H+](C)Cc2ccccc2)CCC1 ZINC000158608239 684301641 /nfs/dbraw/zinc/30/16/41/684301641.db2.gz AQNDXPWRRBLIEC-UHFFFAOYSA-N 1 3 303.450 2.109 20 0 DEADHO CN(C)C1(C(=O)NCCC[N@@H+](C)Cc2ccccc2)CCC1 ZINC000158608239 684301642 /nfs/dbraw/zinc/30/16/42/684301642.db2.gz AQNDXPWRRBLIEC-UHFFFAOYSA-N 1 3 303.450 2.109 20 0 DEADHO CC(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145860 693862328 /nfs/dbraw/zinc/86/23/28/693862328.db2.gz YXPOBVMRVAFQRV-IBGZPJMESA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145860 693862330 /nfs/dbraw/zinc/86/23/30/693862330.db2.gz YXPOBVMRVAFQRV-IBGZPJMESA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001054153029 693864164 /nfs/dbraw/zinc/86/41/64/693864164.db2.gz KGGLSBODKVJVHL-SJLPKXTDSA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001054153029 693864168 /nfs/dbraw/zinc/86/41/68/693864168.db2.gz KGGLSBODKVJVHL-SJLPKXTDSA-N 1 3 309.498 2.441 20 0 DEADHO C(CN1CCC(C[NH+]2CCCCCC2)CC1)O[C@H]1CCOC1 ZINC000929265081 693926506 /nfs/dbraw/zinc/92/65/06/693926506.db2.gz XCZOWOKCBXLNCT-SFHVURJKSA-N 1 3 310.482 2.380 20 0 DEADHO CC(=O)Nc1cccc(C[NH+]2C[C@]3(C)CN(C)C[C@@]3(C)C2)c1 ZINC000864054327 686606635 /nfs/dbraw/zinc/60/66/35/686606635.db2.gz WQRVMTCJKZEPFA-ROUUACIJSA-N 1 3 301.434 2.419 20 0 DEADHO C[C@H]1CN(CCc2cccc(F)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000930138064 694098452 /nfs/dbraw/zinc/09/84/52/694098452.db2.gz WRUMVWBZQKLUNN-QFBILLFUSA-N 1 3 319.468 2.326 20 0 DEADHO C[C@H]1C[N@H+](CCc2cccc(F)c2)CC[C@H]1N1CCN(C)CC1 ZINC000930138064 694098455 /nfs/dbraw/zinc/09/84/55/694098455.db2.gz WRUMVWBZQKLUNN-QFBILLFUSA-N 1 3 319.468 2.326 20 0 DEADHO C[C@H]1C[N@@H+](CCc2cccc(F)c2)CC[C@H]1N1CCN(C)CC1 ZINC000930138064 694098460 /nfs/dbraw/zinc/09/84/60/694098460.db2.gz WRUMVWBZQKLUNN-QFBILLFUSA-N 1 3 319.468 2.326 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(CCCF)C1 ZINC001015971619 687485464 /nfs/dbraw/zinc/48/54/64/687485464.db2.gz CCCKRIWGOXROAC-CVEARBPZSA-N 1 3 313.461 2.191 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(CCCF)C1 ZINC001015971619 687485466 /nfs/dbraw/zinc/48/54/66/687485466.db2.gz CCCKRIWGOXROAC-CVEARBPZSA-N 1 3 313.461 2.191 20 0 DEADHO CCN1CC[C@H]([NH2+]Cc2cc3c([nH]c2=O)CCCC3)[C@H](C)C1 ZINC000866641101 687636229 /nfs/dbraw/zinc/63/62/29/687636229.db2.gz OOTFIVADXWHLGR-CJNGLKHVSA-N 1 3 303.450 2.486 20 0 DEADHO CCCC[NH+]1CCC2(C[C@H]2NC(=O)CN2CCC[C@H]2C)CC1 ZINC001016827941 687712086 /nfs/dbraw/zinc/71/20/86/687712086.db2.gz ARCHAHAYJLXNDF-HZPDHXFCSA-N 1 3 307.482 2.242 20 0 DEADHO CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001016862148 687721135 /nfs/dbraw/zinc/72/11/35/687721135.db2.gz RYGSRDGNHQESNQ-JKSUJKDBSA-N 1 3 307.482 2.240 20 0 DEADHO CC[C@H](C)C[NH+]1CCC2(C[C@@H]2NC(=O)Cc2nc[nH]c2C)CC1 ZINC001016950785 687741859 /nfs/dbraw/zinc/74/18/59/687741859.db2.gz OMTJYPOSHYLIAP-BBRMVZONSA-N 1 3 318.465 2.277 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)CC2CCC2)C1)C1CC1 ZINC001017143272 687802133 /nfs/dbraw/zinc/80/21/33/687802133.db2.gz VCYOYVZQQVDSEF-SJLPKXTDSA-N 1 3 321.509 2.297 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC2CCC2)C1)C1CC1 ZINC001017143272 687802138 /nfs/dbraw/zinc/80/21/38/687802138.db2.gz VCYOYVZQQVDSEF-SJLPKXTDSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1ccccc1 ZINC000930517033 694180066 /nfs/dbraw/zinc/18/00/66/694180066.db2.gz JUZDVYKWSDRIOG-KRWDZBQOSA-N 1 3 303.450 2.107 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1ccccc1 ZINC000930517033 694180070 /nfs/dbraw/zinc/18/00/70/694180070.db2.gz JUZDVYKWSDRIOG-KRWDZBQOSA-N 1 3 303.450 2.107 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)Cc1ccccc1 ZINC000930517034 694180195 /nfs/dbraw/zinc/18/01/95/694180195.db2.gz JUZDVYKWSDRIOG-QGZVFWFLSA-N 1 3 303.450 2.107 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN(C)Cc1ccccc1 ZINC000930517034 694180197 /nfs/dbraw/zinc/18/01/97/694180197.db2.gz JUZDVYKWSDRIOG-QGZVFWFLSA-N 1 3 303.450 2.107 20 0 DEADHO C[C@H]([NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)c1ccccc1 ZINC001018963033 688262840 /nfs/dbraw/zinc/26/28/40/688262840.db2.gz VVHDAMSHHLDSKZ-RDJZCZTQSA-N 1 3 315.461 2.422 20 0 DEADHO COc1ccc2c(c1)C[C@@H](C[N@@H+]1CC[C@]3(CCN(C)C3)C1)O2 ZINC000930557680 694189549 /nfs/dbraw/zinc/18/95/49/694189549.db2.gz IUNLDPYCZRZHCK-WMZOPIPTSA-N 1 3 302.418 2.026 20 0 DEADHO COc1ccc2c(c1)C[C@@H](C[N@H+]1CC[C@]3(CCN(C)C3)C1)O2 ZINC000930557680 694189550 /nfs/dbraw/zinc/18/95/50/694189550.db2.gz IUNLDPYCZRZHCK-WMZOPIPTSA-N 1 3 302.418 2.026 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC001019382929 688343319 /nfs/dbraw/zinc/34/33/19/688343319.db2.gz PKHHDDVRMCGKFB-RDJZCZTQSA-N 1 3 319.493 2.099 20 0 DEADHO CCc1cccc(C[NH2+][C@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)c1 ZINC001019397016 688347197 /nfs/dbraw/zinc/34/71/97/688347197.db2.gz FGAMTOFGDQZBGR-ROUUACIJSA-N 1 3 317.477 2.280 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000870872801 688673431 /nfs/dbraw/zinc/67/34/31/688673431.db2.gz KSVXAYPOJMFHGS-BJZZIADLSA-N 1 3 313.445 2.066 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000870872909 688673704 /nfs/dbraw/zinc/67/37/04/688673704.db2.gz QEQUDCZHMPGBKM-HPBDAGMYSA-N 1 3 315.461 2.456 20 0 DEADHO CN(C(=O)[C@H]1CC[C@@H]([NH3+])CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000870908299 688683416 /nfs/dbraw/zinc/68/34/16/688683416.db2.gz ZSOHSBBKLISRQT-KSZLIROESA-N 1 3 315.461 2.237 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000871765518 688863611 /nfs/dbraw/zinc/86/36/11/688863611.db2.gz YQVBHQOAUZTLPJ-SJORKVTESA-N 1 3 316.449 2.449 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC000871765518 688863613 /nfs/dbraw/zinc/86/36/13/688863613.db2.gz YQVBHQOAUZTLPJ-SJORKVTESA-N 1 3 316.449 2.449 20 0 DEADHO C[C@@H](NCCC[N@@H+]1CCCN(C)CC1)c1cc(O)ccc1F ZINC000872033120 688916375 /nfs/dbraw/zinc/91/63/75/688916375.db2.gz FJJDTTHKKXQUGG-CQSZACIVSA-N 1 3 309.429 2.210 20 0 DEADHO C[C@@H](NCCC[N@H+]1CCCN(C)CC1)c1cc(O)ccc1F ZINC000872033120 688916379 /nfs/dbraw/zinc/91/63/79/688916379.db2.gz FJJDTTHKKXQUGG-CQSZACIVSA-N 1 3 309.429 2.210 20 0 DEADHO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(C)CCCCCC[NH3+] ZINC000872155282 688939506 /nfs/dbraw/zinc/93/95/06/688939506.db2.gz QFNIJDRYDQFCEB-ZDUSSCGKSA-N 1 3 321.421 2.193 20 0 DEADHO CN(C(=O)CN1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1)C1CC1 ZINC000872156896 688940405 /nfs/dbraw/zinc/94/04/05/688940405.db2.gz MGKBHAHKOMXTLN-WMLDXEAASA-N 1 3 307.482 2.227 20 0 DEADHO C[C@H]([NH2+]C[C@H](O)CC(C)(C)O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000872205336 688951901 /nfs/dbraw/zinc/95/19/01/688951901.db2.gz BRXSXAJIPIULKH-RYQLBKOJSA-N 1 3 320.477 2.009 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC1C[NH+](CC[C@@H](C)F)C1 ZINC001032026441 689044667 /nfs/dbraw/zinc/04/46/67/689044667.db2.gz FTFUCSQHJBDJOH-ZBFHGGJFSA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)CC[NH+]1CC(CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001032026406 689044889 /nfs/dbraw/zinc/04/48/89/689044889.db2.gz DNXMWYQLIPCFKY-KRWDZBQOSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CN(CC1CC[NH+](C)CC1)CN1CC(C)(C)OC1=O ZINC000872743373 689081458 /nfs/dbraw/zinc/08/14/58/689081458.db2.gz ANSKQLNEZOZJEV-UHFFFAOYSA-N 1 3 311.470 2.475 20 0 DEADHO CC(C)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001032406410 689142183 /nfs/dbraw/zinc/14/21/83/689142183.db2.gz YZJQVEPOBOCGLE-NJAFHUGGSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001032406410 689142184 /nfs/dbraw/zinc/14/21/84/689142184.db2.gz YZJQVEPOBOCGLE-NJAFHUGGSA-N 1 3 319.493 2.335 20 0 DEADHO c1c(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)sc2c1CNCC2 ZINC000873210961 689184536 /nfs/dbraw/zinc/18/45/36/689184536.db2.gz FOMKKZGCSAOGGE-BMFZPTHFSA-N 1 3 304.459 2.441 20 0 DEADHO Cc1cc(C)cc(-n2ncc(CN[C@@H](C)C3CC[NH2+]CC3)n2)c1 ZINC000873222538 689187464 /nfs/dbraw/zinc/18/74/64/689187464.db2.gz YMKISIPDEXBXGF-HNNXBMFYSA-N 1 3 313.449 2.362 20 0 DEADHO N[C@H](CC[NH2+]C1CCC2(CC1)OCCO2)Cc1ccccc1 ZINC000873235921 689190720 /nfs/dbraw/zinc/19/07/20/689190720.db2.gz UVQCFPZUZJNXNO-MRXNPFEDSA-N 1 3 304.434 2.222 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1COc2cccc(Br)c2C1 ZINC000873273087 689199374 /nfs/dbraw/zinc/19/93/74/689199374.db2.gz YKDYAXLPNUFMAN-HBNTYKKESA-N 1 3 313.239 2.468 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2C[C@H](C(=O)OCc3ccccc3)C2)C1 ZINC000873273871 689199984 /nfs/dbraw/zinc/19/99/84/689199984.db2.gz OBPCCDGYTUUADJ-WCXIOVBPSA-N 1 3 302.418 2.368 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CCC[C@H]1C ZINC001032626685 689205252 /nfs/dbraw/zinc/20/52/52/689205252.db2.gz KAOKYVXAADUYCK-PVAVHDDUSA-N 1 3 307.482 2.192 20 0 DEADHO CCC(CC)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CCC[C@H]1C ZINC001032626685 689205254 /nfs/dbraw/zinc/20/52/54/689205254.db2.gz KAOKYVXAADUYCK-PVAVHDDUSA-N 1 3 307.482 2.192 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CC[C@H](C)C1 ZINC001032627900 689207053 /nfs/dbraw/zinc/20/70/53/689207053.db2.gz LYEMZXCSWOZRQP-XIRDDKMYSA-N 1 3 307.482 2.050 20 0 DEADHO CCC(CC)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CC[C@H](C)C1 ZINC001032627900 689207055 /nfs/dbraw/zinc/20/70/55/689207055.db2.gz LYEMZXCSWOZRQP-XIRDDKMYSA-N 1 3 307.482 2.050 20 0 DEADHO C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC1)[NH+]1CCCCCC1 ZINC001032665013 689217524 /nfs/dbraw/zinc/21/75/24/689217524.db2.gz VRXAKCVKQOMFFP-SZMVWBNQSA-N 1 3 319.493 2.336 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001033069252 689375141 /nfs/dbraw/zinc/37/51/41/689375141.db2.gz HPOSKKXPFGOCGK-DLBZAZTESA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033069252 689375145 /nfs/dbraw/zinc/37/51/45/689375145.db2.gz HPOSKKXPFGOCGK-DLBZAZTESA-N 1 3 307.482 2.192 20 0 DEADHO CC[C@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)N2CCCC2)C1 ZINC001033320335 689460667 /nfs/dbraw/zinc/46/06/67/689460667.db2.gz UYJOYTZONSCFBI-HOTGVXAUSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C)C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)N2CCCC2)C1 ZINC001033320335 689460668 /nfs/dbraw/zinc/46/06/68/689460668.db2.gz UYJOYTZONSCFBI-HOTGVXAUSA-N 1 3 309.498 2.440 20 0 DEADHO CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033365524 689477531 /nfs/dbraw/zinc/47/75/31/689477531.db2.gz OIPIGCKYTBSHCO-SJORKVTESA-N 1 3 307.482 2.336 20 0 DEADHO CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033365524 689477533 /nfs/dbraw/zinc/47/75/33/689477533.db2.gz OIPIGCKYTBSHCO-SJORKVTESA-N 1 3 307.482 2.336 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001033415712 689493843 /nfs/dbraw/zinc/49/38/43/689493843.db2.gz KEOXMWDHJLTOQX-AEFFLSMTSA-N 1 3 315.461 2.204 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001033415712 689493844 /nfs/dbraw/zinc/49/38/44/689493844.db2.gz KEOXMWDHJLTOQX-AEFFLSMTSA-N 1 3 315.461 2.204 20 0 DEADHO CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCN(CC=C(C)C)C1 ZINC001033940683 689668896 /nfs/dbraw/zinc/66/88/96/689668896.db2.gz KFQCGHZCWGTCEB-KRWDZBQOSA-N 1 3 307.482 2.217 20 0 DEADHO CC[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001034543393 689893266 /nfs/dbraw/zinc/89/32/66/689893266.db2.gz FNFUWKJOQQRTGN-INIZCTEOSA-N 1 3 303.450 2.352 20 0 DEADHO CC[N@H+]1CCCC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001034543393 689893269 /nfs/dbraw/zinc/89/32/69/689893269.db2.gz FNFUWKJOQQRTGN-INIZCTEOSA-N 1 3 303.450 2.352 20 0 DEADHO CN1CCN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)C2(CCCCC2)C1 ZINC000876778674 689935336 /nfs/dbraw/zinc/93/53/36/689935336.db2.gz LNWJOFKKDDBLPF-PTZVLDCSSA-N 1 3 305.466 2.019 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)cc1 ZINC001034881907 689976831 /nfs/dbraw/zinc/97/68/31/689976831.db2.gz PEAZAVXUBDLHPT-QZTJIDSGSA-N 1 3 315.461 2.170 20 0 DEADHO CC1(C)CC[C@@H](CNC(=O)C[C@H]2NCc3ccccc32)[NH2+]C1 ZINC000877153466 690031500 /nfs/dbraw/zinc/03/15/00/690031500.db2.gz HPOFIVVIVUOVDC-GOEBONIOSA-N 1 3 301.434 2.115 20 0 DEADHO C[NH+]1CCC(CNC(=O)[C@@H](N)C(C)(C)C)(c2ccccc2)CC1 ZINC000877227012 690050153 /nfs/dbraw/zinc/05/01/53/690050153.db2.gz LHUKFGHNVPZJJK-MRXNPFEDSA-N 1 3 317.477 2.140 20 0 DEADHO CC[C@@H](C(=O)N1CCC2(CC[N@H+](CCCF)C2)CC1)N(C)C ZINC001035229522 690066528 /nfs/dbraw/zinc/06/65/28/690066528.db2.gz OXWSIMNCSONVIP-HNNXBMFYSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@@H](C(=O)N1CCC2(CC[N@@H+](CCCF)C2)CC1)N(C)C ZINC001035229522 690066531 /nfs/dbraw/zinc/06/65/31/690066531.db2.gz OXWSIMNCSONVIP-HNNXBMFYSA-N 1 3 313.461 2.001 20 0 DEADHO CC(C)C[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@@H]1C)CC2 ZINC001035227847 690066646 /nfs/dbraw/zinc/06/66/46/690066646.db2.gz AKFWOVXEDMWDIV-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@@H]1C)CC2 ZINC001035227847 690066649 /nfs/dbraw/zinc/06/66/49/690066649.db2.gz AKFWOVXEDMWDIV-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H](C(=O)NC[C@@H]1Cc2ccccc2CN1)[NH+]1CCCCCC1 ZINC000877342825 690082677 /nfs/dbraw/zinc/08/26/77/690082677.db2.gz FVLLCCGZPANGEJ-QAPCUYQASA-N 1 3 315.461 2.082 20 0 DEADHO C[C@H](C(=O)NC[C@@H]1Cc2ccccc2CN1)[C@@H]([NH3+])c1ccccc1 ZINC000877347155 690084131 /nfs/dbraw/zinc/08/41/31/690084131.db2.gz RJACVQHXYTUEBV-ZOCIIQOWSA-N 1 3 323.440 2.153 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1)N(C)C ZINC000877444760 690115127 /nfs/dbraw/zinc/11/51/27/690115127.db2.gz PNVFHHMKVZAVJF-BHYGNILZSA-N 1 3 309.498 2.473 20 0 DEADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001035708896 690157340 /nfs/dbraw/zinc/15/73/40/690157340.db2.gz MFZBNTARGCDIJJ-IAGOWNOFSA-N 1 3 319.493 2.217 20 0 DEADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001035708896 690157342 /nfs/dbraw/zinc/15/73/42/690157342.db2.gz MFZBNTARGCDIJJ-IAGOWNOFSA-N 1 3 319.493 2.217 20 0 DEADHO CC(C)C[NH+]1CC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001035722362 690161073 /nfs/dbraw/zinc/16/10/73/690161073.db2.gz QDKLHBMRRJUBCE-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO COCCN(Cc1ccc2c(n1)CCC2)CC1CC[NH+](C)CC1 ZINC000877664461 690182557 /nfs/dbraw/zinc/18/25/57/690182557.db2.gz PPQBAXDQDKPSIT-UHFFFAOYSA-N 1 3 317.477 2.361 20 0 DEADHO COCCN(Cc1cnn2ccccc12)CC1CC[NH+](C)CC1 ZINC000877665357 690183869 /nfs/dbraw/zinc/18/38/69/690183869.db2.gz SCAOPGUGZGGDBF-UHFFFAOYSA-N 1 3 316.449 2.125 20 0 DEADHO CN1CC[C@H]2C[N@H+](Cc3cc(-n4ccnc4)cs3)CC[C@@H]21 ZINC000877739463 690210080 /nfs/dbraw/zinc/21/00/80/690210080.db2.gz GIBJSIMKVWDVLV-BBRMVZONSA-N 1 3 302.447 2.460 20 0 DEADHO CN1CC[C@H]2C[N@@H+](Cc3cc(-n4ccnc4)cs3)CC[C@@H]21 ZINC000877739463 690210082 /nfs/dbraw/zinc/21/00/82/690210082.db2.gz GIBJSIMKVWDVLV-BBRMVZONSA-N 1 3 302.447 2.460 20 0 DEADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@@H]1[NH2+]CC1CC1 ZINC001036027655 690238758 /nfs/dbraw/zinc/23/87/58/690238758.db2.gz IUPOERXWLBQUJV-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]Cc1ccsc1 ZINC001036206611 690290820 /nfs/dbraw/zinc/29/08/20/690290820.db2.gz REHOTFHCVNEBGN-IUODEOHRSA-N 1 3 318.446 2.041 20 0 DEADHO C[C@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@@H]1[NH2+]CCF ZINC001036305517 690316014 /nfs/dbraw/zinc/31/60/14/690316014.db2.gz UHBQEPLIRBPMFL-YOEHRIQHSA-N 1 3 321.440 2.158 20 0 DEADHO CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001036403103 690342166 /nfs/dbraw/zinc/34/21/66/690342166.db2.gz ZUOBXLDTXLQCLX-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]21 ZINC001036717528 690443374 /nfs/dbraw/zinc/44/33/74/690443374.db2.gz XAZPTXWAKRFWCN-HOTGVXAUSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]21 ZINC001036717528 690443377 /nfs/dbraw/zinc/44/33/77/690443377.db2.gz XAZPTXWAKRFWCN-HOTGVXAUSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CCC3CC3)C2)CCC1 ZINC001036736144 690452483 /nfs/dbraw/zinc/45/24/83/690452483.db2.gz VUVCENASIADMEZ-IAGOWNOFSA-N 1 3 319.493 2.194 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CCC3CC3)C2)CCC1 ZINC001036736144 690452485 /nfs/dbraw/zinc/45/24/85/690452485.db2.gz VUVCENASIADMEZ-IAGOWNOFSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@@H]21 ZINC001036853535 690500027 /nfs/dbraw/zinc/50/00/27/690500027.db2.gz WAINJLIXUKHLDY-MSOLQXFVSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@@H]21 ZINC001036853535 690500029 /nfs/dbraw/zinc/50/00/29/690500029.db2.gz WAINJLIXUKHLDY-MSOLQXFVSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)(C)SCCC[NH+]1CCC(N2CC[C@H](O)C2)CC1 ZINC000878994411 690544594 /nfs/dbraw/zinc/54/45/94/690544594.db2.gz ZOOPUVWDWSAJKP-HNNXBMFYSA-N 1 3 300.512 2.439 20 0 DEADHO CC[NH+](CC)CCCN1CCN[C@H](c2cccc(OC)c2)C1 ZINC000879524800 690662752 /nfs/dbraw/zinc/66/27/52/690662752.db2.gz PFZSNQHLZNOZGG-SFHVURJKSA-N 1 3 305.466 2.373 20 0 DEADHO CC(C)CCN1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001038440248 690823058 /nfs/dbraw/zinc/82/30/58/690823058.db2.gz BPWVBHNAKVNVSF-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CCN1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001038440248 690823061 /nfs/dbraw/zinc/82/30/61/690823061.db2.gz BPWVBHNAKVNVSF-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO COC(=O)c1cncc(CN2CCC3(CC2)CC[NH+](C)CC3)c1 ZINC000931467427 694405257 /nfs/dbraw/zinc/40/52/57/694405257.db2.gz JRPLQUGNKUNSRQ-UHFFFAOYSA-N 1 3 317.433 2.176 20 0 DEADHO CC(C)CCN1CC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001038897925 690960492 /nfs/dbraw/zinc/96/04/92/690960492.db2.gz XYOHWXLNGXOSQJ-SFHVURJKSA-N 1 3 321.509 2.345 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+]2CCC2CC2)c1 ZINC001039040613 691001027 /nfs/dbraw/zinc/00/10/27/691001027.db2.gz SUDKCWRFXFNFCI-SFHVURJKSA-N 1 3 315.461 2.352 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CC[N@H+]2CCC2CC2)c1 ZINC001039040613 691001028 /nfs/dbraw/zinc/00/10/28/691001028.db2.gz SUDKCWRFXFNFCI-SFHVURJKSA-N 1 3 315.461 2.352 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1[C@H]1CC[N@H+](CC2CC2)C1 ZINC001039240419 691064993 /nfs/dbraw/zinc/06/49/93/691064993.db2.gz WXWXPYROYQZSSM-RDJZCZTQSA-N 1 3 316.449 2.065 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001039240419 691064995 /nfs/dbraw/zinc/06/49/95/691064995.db2.gz WXWXPYROYQZSSM-RDJZCZTQSA-N 1 3 316.449 2.065 20 0 DEADHO CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C1CC1)N(C)C ZINC001039288941 691075752 /nfs/dbraw/zinc/07/57/52/691075752.db2.gz KSYUATNODJCNBK-HQSKLWIPSA-N 1 3 321.509 2.484 20 0 DEADHO CC(C)[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001040394984 691242071 /nfs/dbraw/zinc/24/20/71/691242071.db2.gz NJZILWADMMBBHD-WMZOPIPTSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[N@H+]1CCC[C@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001040394984 691242074 /nfs/dbraw/zinc/24/20/74/691242074.db2.gz NJZILWADMMBBHD-WMZOPIPTSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)C1 ZINC001040395337 691242422 /nfs/dbraw/zinc/24/24/22/691242422.db2.gz OHNXZPWGYVQQOP-APWZRJJASA-N 1 3 319.493 2.053 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)C1 ZINC001040395337 691242424 /nfs/dbraw/zinc/24/24/24/691242424.db2.gz OHNXZPWGYVQQOP-APWZRJJASA-N 1 3 319.493 2.053 20 0 DEADHO CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001040401350 691243254 /nfs/dbraw/zinc/24/32/54/691243254.db2.gz ZYTYYEFYUPIXNO-WMZOPIPTSA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001040401350 691243257 /nfs/dbraw/zinc/24/32/57/691243257.db2.gz ZYTYYEFYUPIXNO-WMZOPIPTSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC1 ZINC001040729365 691282727 /nfs/dbraw/zinc/28/27/27/691282727.db2.gz HSHYPHOJTVOSLQ-MRXNPFEDSA-N 1 3 307.482 2.050 20 0 DEADHO CN(CC(=O)N1CCC2(C1)CC[NH+](CC1CC1)CC2)C1CCC1 ZINC001040730658 691282916 /nfs/dbraw/zinc/28/29/16/691282916.db2.gz ZBDTYZVPRMJSBD-UHFFFAOYSA-N 1 3 319.493 2.195 20 0 DEADHO CCCC[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041356664 691366556 /nfs/dbraw/zinc/36/65/56/691366556.db2.gz ARBPKYOIJOOWPH-SFHVURJKSA-N 1 3 307.482 2.195 20 0 DEADHO CCCC[N@H+]1CC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041356664 691366558 /nfs/dbraw/zinc/36/65/58/691366558.db2.gz ARBPKYOIJOOWPH-SFHVURJKSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001041358884 691366765 /nfs/dbraw/zinc/36/67/65/691366765.db2.gz RFMHZBGTBLPMQC-IEBWSBKVSA-N 1 3 319.493 2.217 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001041358884 691366768 /nfs/dbraw/zinc/36/67/68/691366768.db2.gz RFMHZBGTBLPMQC-IEBWSBKVSA-N 1 3 319.493 2.217 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@H+](CC4CCC4)C3)C2)C1 ZINC001041678951 691409161 /nfs/dbraw/zinc/40/91/61/691409161.db2.gz KBUTZZHKPMJCBB-VQIMIIECSA-N 1 3 319.493 2.053 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@@H+](CC4CCC4)C3)C2)C1 ZINC001041678951 691409163 /nfs/dbraw/zinc/40/91/63/691409163.db2.gz KBUTZZHKPMJCBB-VQIMIIECSA-N 1 3 319.493 2.053 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001041845883 691443988 /nfs/dbraw/zinc/44/39/88/691443988.db2.gz QFOWTRPLJPUGCM-IEBWSBKVSA-N 1 3 319.493 2.195 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001041845883 691443990 /nfs/dbraw/zinc/44/39/90/691443990.db2.gz QFOWTRPLJPUGCM-IEBWSBKVSA-N 1 3 319.493 2.195 20 0 DEADHO CN1CC[C@H]([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000883361500 691489652 /nfs/dbraw/zinc/48/96/52/691489652.db2.gz FIWDWSSSPWTRQE-NAKRPEOUSA-N 1 3 316.314 2.007 20 0 DEADHO C[N@@H+]1CC[C@H](NC[C@H](O)C(F)(F)C(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000883361500 691489656 /nfs/dbraw/zinc/48/96/56/691489656.db2.gz FIWDWSSSPWTRQE-NAKRPEOUSA-N 1 3 316.314 2.007 20 0 DEADHO C[N@H+]1CC[C@H](NC[C@H](O)C(F)(F)C(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000883361500 691489658 /nfs/dbraw/zinc/48/96/58/691489658.db2.gz FIWDWSSSPWTRQE-NAKRPEOUSA-N 1 3 316.314 2.007 20 0 DEADHO COCC[C@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000884186365 691677145 /nfs/dbraw/zinc/67/71/45/691677145.db2.gz YANIPFXNQIKDLL-YOEHRIQHSA-N 1 3 319.449 2.221 20 0 DEADHO COCC[C@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000884186365 691677148 /nfs/dbraw/zinc/67/71/48/691677148.db2.gz YANIPFXNQIKDLL-YOEHRIQHSA-N 1 3 319.449 2.221 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@H]([NH3+])CC1CC1)c1ccsc1 ZINC000884188775 691677534 /nfs/dbraw/zinc/67/75/34/691677534.db2.gz OWFCZRUBCIUIMU-CABCVRRESA-N 1 3 309.479 2.375 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H](N)CC2CC2)C1 ZINC000884205481 691682598 /nfs/dbraw/zinc/68/25/98/691682598.db2.gz XUYBJZZHXRIZIF-PVAVHDDUSA-N 1 3 307.482 2.227 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H](N)CC2CC2)C1 ZINC000884205481 691682600 /nfs/dbraw/zinc/68/26/00/691682600.db2.gz XUYBJZZHXRIZIF-PVAVHDDUSA-N 1 3 307.482 2.227 20 0 DEADHO N[C@@H](CC1CC1)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000884210626 691683591 /nfs/dbraw/zinc/68/35/91/691683591.db2.gz FYZAHHBYISPWJJ-SJORKVTESA-N 1 3 307.482 2.228 20 0 DEADHO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H](N)CC3CC3)cc21 ZINC000884224160 691686428 /nfs/dbraw/zinc/68/64/28/691686428.db2.gz IXOBSUZSQGKKIR-MRXNPFEDSA-N 1 3 314.433 2.269 20 0 DEADHO CC(C)CCN1CC(N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001043232698 691690478 /nfs/dbraw/zinc/69/04/78/691690478.db2.gz QTVVTVROXHKYAI-UHFFFAOYSA-N 1 3 300.406 2.137 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CCC2CC2)CCN1C(=O)CN(C)C1CCC1 ZINC001044627651 691861407 /nfs/dbraw/zinc/86/14/07/691861407.db2.gz BIWQCDKLVMJQOL-GDBMZVCRSA-N 1 3 307.482 2.240 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CCCC1)C1CC1 ZINC001045067256 691934754 /nfs/dbraw/zinc/93/47/54/691934754.db2.gz ISMROSUZCRZHJC-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO CN(CC(=O)N1CCC[C@H]1C[NH2+]CC1CC(C)(C)C1)C1CCC1 ZINC001045070282 691935263 /nfs/dbraw/zinc/93/52/63/691935263.db2.gz AQAOKACHZGSSKY-KRWDZBQOSA-N 1 3 321.509 2.488 20 0 DEADHO CC1CCN(CC(=O)N2CCC[C@H]2C[NH2+]CC2CCC2)CC1 ZINC001045251356 691956739 /nfs/dbraw/zinc/95/67/39/691956739.db2.gz OYPFDSGZDAAZNU-KRWDZBQOSA-N 1 3 307.482 2.099 20 0 DEADHO CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045968597 692065410 /nfs/dbraw/zinc/06/54/10/692065410.db2.gz DEWQBSXRWCPEEA-QGZVFWFLSA-N 1 3 304.438 2.067 20 0 DEADHO CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045968597 692065413 /nfs/dbraw/zinc/06/54/13/692065413.db2.gz DEWQBSXRWCPEEA-QGZVFWFLSA-N 1 3 304.438 2.067 20 0 DEADHO CC(C)[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1cnn(C)c1 ZINC000886600890 692128096 /nfs/dbraw/zinc/12/80/96/692128096.db2.gz DSSYNYQAGNCACB-RDJZCZTQSA-N 1 3 308.470 2.208 20 0 DEADHO CC(C)[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cnn(C)c1 ZINC000886600890 692128098 /nfs/dbraw/zinc/12/80/98/692128098.db2.gz DSSYNYQAGNCACB-RDJZCZTQSA-N 1 3 308.470 2.208 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@]2(C)CC[N@H+](CC3CC3)C2)c1 ZINC001046853539 692317367 /nfs/dbraw/zinc/31/73/67/692317367.db2.gz ZPHACLGMKLTAKG-LJQANCHMSA-N 1 3 315.461 2.352 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@]2(C)CC[N@@H+](CC3CC3)C2)c1 ZINC001046853539 692317370 /nfs/dbraw/zinc/31/73/70/692317370.db2.gz ZPHACLGMKLTAKG-LJQANCHMSA-N 1 3 315.461 2.352 20 0 DEADHO C[C@H]([NH2+]CC1=CCCCC1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048059523 692540434 /nfs/dbraw/zinc/54/04/34/692540434.db2.gz SRWLDCNQFLQCKQ-FUHWJXTLSA-N 1 3 319.493 2.409 20 0 DEADHO CC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001048069699 692542781 /nfs/dbraw/zinc/54/27/81/692542781.db2.gz TVNNPDXTYAUPFC-CABCVRRESA-N 1 3 303.450 2.208 20 0 DEADHO CC[C@H](C)C[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001048875510 692714837 /nfs/dbraw/zinc/71/48/37/692714837.db2.gz AAYKXFFNMQIJPJ-NXOAAHMSSA-N 1 3 309.498 2.009 20 0 DEADHO CC[C@H](C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001048875510 692714838 /nfs/dbraw/zinc/71/48/38/692714838.db2.gz AAYKXFFNMQIJPJ-NXOAAHMSSA-N 1 3 309.498 2.009 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCC1)N(C)C ZINC001049713034 692972832 /nfs/dbraw/zinc/97/28/32/692972832.db2.gz WNXADYCKCLLYQB-FGTMMUONSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CCC1)N(C)C ZINC001049713034 692972834 /nfs/dbraw/zinc/97/28/34/692972834.db2.gz WNXADYCKCLLYQB-FGTMMUONSA-N 1 3 321.509 2.438 20 0 DEADHO CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(CN(C)C)c1 ZINC001049913046 693046174 /nfs/dbraw/zinc/04/61/74/693046174.db2.gz SWYJZHBNAVCHTB-QZTJIDSGSA-N 1 3 315.461 2.447 20 0 DEADHO CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(CN(C)C)c1 ZINC001049913046 693046178 /nfs/dbraw/zinc/04/61/78/693046178.db2.gz SWYJZHBNAVCHTB-QZTJIDSGSA-N 1 3 315.461 2.447 20 0 DEADHO CCN(C)C[C@@H](O)C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932190603 694571016 /nfs/dbraw/zinc/57/10/16/694571016.db2.gz OOBAUGYUSUMWGO-ZIAGYGMSSA-N 1 3 323.506 2.124 20 0 DEADHO CCN(C)C[C@@H](O)C[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932190603 694571018 /nfs/dbraw/zinc/57/10/18/694571018.db2.gz OOBAUGYUSUMWGO-ZIAGYGMSSA-N 1 3 323.506 2.124 20 0 DEADHO CCN1CCCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCOC ZINC000925025476 693214989 /nfs/dbraw/zinc/21/49/89/693214989.db2.gz BTWLFBRGCHNSLT-FBVQUNGASA-N 1 3 309.498 2.092 20 0 DEADHO CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCCN3C(C)C)C2)CC1 ZINC001050688197 693232559 /nfs/dbraw/zinc/23/25/59/693232559.db2.gz XRZANSAMEYALMO-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO CC(=O)N1CCC(C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925499994 693284006 /nfs/dbraw/zinc/28/40/06/693284006.db2.gz WAVHSMXEEDPJGF-ROUUACIJSA-N 1 3 307.482 2.003 20 0 DEADHO CC(C)[C@H](CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)N1CCOCC1 ZINC000925519500 693287628 /nfs/dbraw/zinc/28/76/28/693287628.db2.gz RZFOHOJNXSIMQO-QRVBRYPASA-N 1 3 323.525 2.101 20 0 DEADHO CC(C)[C@H](C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)N1CCOCC1 ZINC000925519500 693287630 /nfs/dbraw/zinc/28/76/30/693287630.db2.gz RZFOHOJNXSIMQO-QRVBRYPASA-N 1 3 323.525 2.101 20 0 DEADHO [NH3+]CCC[C@@H](NC[C@@H]1CCCCS1(=O)=O)c1ccccc1 ZINC000925635382 693313581 /nfs/dbraw/zinc/31/35/81/693313581.db2.gz QFVPPINHWMYJSQ-JKSUJKDBSA-N 1 3 310.463 2.024 20 0 DEADHO OC[C@@H](Cc1ccccc1)N[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925641492 693315526 /nfs/dbraw/zinc/31/55/26/693315526.db2.gz NTUOATOTGPBEFY-QYZOEREBSA-N 1 3 302.462 2.348 20 0 DEADHO CC1(C)[NH2+]CC[C@@H]1NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000925649309 693317250 /nfs/dbraw/zinc/31/72/50/693317250.db2.gz DCTJGHHXKNODSU-MSOLQXFVSA-N 1 3 317.477 2.008 20 0 DEADHO [NH3+]CCC[C@H](NCc1cc(=O)n2ccccc2n1)c1ccccc1 ZINC000925701851 693326862 /nfs/dbraw/zinc/32/68/62/693326862.db2.gz HBKGVEGVGIUZFA-KRWDZBQOSA-N 1 3 322.412 2.264 20 0 DEADHO c1ccc(CN2CCCCC[C@@H](N[C@H]3C[NH2+]CCOC3)C2)cc1 ZINC000925724539 693330207 /nfs/dbraw/zinc/33/02/07/693330207.db2.gz KJFOWAMGUMZAEJ-MOPGFXCFSA-N 1 3 317.477 2.009 20 0 DEADHO C[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccccc1-n1ccnn1 ZINC000925779329 693341011 /nfs/dbraw/zinc/34/10/11/693341011.db2.gz XBKULCNBEHNKEQ-STQMWFEESA-N 1 3 321.375 2.163 20 0 DEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC1(C2(O)CCOCC2)CC1 ZINC000925828086 693348501 /nfs/dbraw/zinc/34/85/01/693348501.db2.gz ZMGJEDFAASOJFW-CVEARBPZSA-N 1 3 310.482 2.209 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000926227890 693420316 /nfs/dbraw/zinc/42/03/16/693420316.db2.gz IFOLQTCGGCINEF-YIONKMFJSA-N 1 3 319.415 2.191 20 0 DEADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccnn1C1CCC1 ZINC000926357254 693436438 /nfs/dbraw/zinc/43/64/38/693436438.db2.gz NVKAPTSTGWWFGL-HNNXBMFYSA-N 1 3 319.497 2.285 20 0 DEADHO COC1(OC)CC[C@@H]1[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000926636295 693483484 /nfs/dbraw/zinc/48/34/84/693483484.db2.gz STJSOSCGYVRRKU-IKGGRYGDSA-N 1 3 304.434 2.073 20 0 DEADHO COc1cc([C@@H](C)NCC2CC[NH+](C3CCOCC3)CC2)on1 ZINC000926675863 693490662 /nfs/dbraw/zinc/49/06/62/693490662.db2.gz JHWNMBPPLLEFHY-CYBMUJFWSA-N 1 3 323.437 2.225 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCF)CC1 ZINC001052378482 693518869 /nfs/dbraw/zinc/51/88/69/693518869.db2.gz WGBUQJKFJDIXNN-HOTGVXAUSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCCF)CC1 ZINC001052378482 693518873 /nfs/dbraw/zinc/51/88/73/693518873.db2.gz WGBUQJKFJDIXNN-HOTGVXAUSA-N 1 3 313.461 2.190 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC(C)C)CC1 ZINC001052425730 693530925 /nfs/dbraw/zinc/53/09/25/693530925.db2.gz BURIGNHIQFVJEX-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC(C)C)CC1 ZINC001052425730 693530927 /nfs/dbraw/zinc/53/09/27/693530927.db2.gz BURIGNHIQFVJEX-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CCC[N@H+](CC2CC2)CC1)N1CCCC1 ZINC001052619807 693580896 /nfs/dbraw/zinc/58/08/96/693580896.db2.gz JEPQAXOXAIBDMP-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CCC[N@@H+](CC2CC2)CC1)N1CCCC1 ZINC001052619807 693580899 /nfs/dbraw/zinc/58/08/99/693580899.db2.gz JEPQAXOXAIBDMP-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[N@H+](CCC3CC3)CC2)C1 ZINC001052712914 693601264 /nfs/dbraw/zinc/60/12/64/693601264.db2.gz PQTCNANISGDZIW-NVXWUHKLSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[N@@H+](CCC3CC3)CC2)C1 ZINC001052712914 693601268 /nfs/dbraw/zinc/60/12/68/693601268.db2.gz PQTCNANISGDZIW-NVXWUHKLSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21 ZINC000932416348 694609843 /nfs/dbraw/zinc/60/98/43/694609843.db2.gz OKDHKIBTMVJKSL-FUHWJXTLSA-N 1 3 315.461 2.379 20 0 DEADHO CC(C)[NH2+][C@@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001402321659 1162324339 /nfs/dbraw/zinc/32/43/39/1162324339.db2.gz FZDOOWWIKZRZPH-YOEHRIQHSA-N 1 3 313.461 2.092 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+]CC[C@H](C)N(C)C)c1C ZINC001335422363 1150411704 /nfs/dbraw/zinc/41/17/04/1150411704.db2.gz QVJBAWUHAWDAHQ-DOTOQJQBSA-N 1 3 308.466 2.281 20 0 DEADHO CN1CCN(c2ccc(NCC3CC[NH+](C)CC3)cc2)CC1 ZINC001351975292 1151642376 /nfs/dbraw/zinc/64/23/76/1151642376.db2.gz LWBZSOGNEUSIRK-UHFFFAOYSA-N 1 3 302.466 2.192 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3CCC4(CCC4)C3=O)C[C@H]2C1 ZINC001356055040 1152054948 /nfs/dbraw/zinc/05/49/48/1152054948.db2.gz ACIPTGXVJXBZCR-BZUAXINKSA-N 1 3 305.466 2.009 20 0 DEADHO C[C@@H](NC(=O)C(C)(C)N1CCCC1)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001402771967 1162466884 /nfs/dbraw/zinc/46/68/84/1162466884.db2.gz VPXHBDODCNMKQE-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](NC(=O)C(C)(C)N1CCCC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001402771967 1162466886 /nfs/dbraw/zinc/46/68/86/1162466886.db2.gz VPXHBDODCNMKQE-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccccc1F ZINC001402826652 1162485573 /nfs/dbraw/zinc/48/55/73/1162485573.db2.gz WFCOOFVXCOYDRC-AWEZNQCLSA-N 1 3 321.440 2.294 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CC3CCC3)C2)CCC1 ZINC001379689965 1152673624 /nfs/dbraw/zinc/67/36/24/1152673624.db2.gz XAZVYRSPSDITDR-HZPDHXFCSA-N 1 3 307.482 2.145 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN(C)Cc1cccc(C)c1 ZINC001379764850 1152691761 /nfs/dbraw/zinc/69/17/61/1152691761.db2.gz GIVVJCVBYJUIGZ-INIZCTEOSA-N 1 3 305.466 2.273 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN(C)Cc1cccc(C)c1 ZINC001379764850 1152691764 /nfs/dbraw/zinc/69/17/64/1152691764.db2.gz GIVVJCVBYJUIGZ-INIZCTEOSA-N 1 3 305.466 2.273 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1csc(C)c1)C1CC1)N(C)C ZINC001379919069 1152713481 /nfs/dbraw/zinc/71/34/81/1152713481.db2.gz KWHSWASSYCEERC-JKSUJKDBSA-N 1 3 323.506 2.381 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]CC1CC2(CCC2)C1)C1CC1 ZINC001379926497 1152714123 /nfs/dbraw/zinc/71/41/23/1152714123.db2.gz YYVYXJUBNAJZIJ-KRWDZBQOSA-N 1 3 321.509 2.391 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccccc2)CC1 ZINC001380087500 1152748542 /nfs/dbraw/zinc/74/85/42/1152748542.db2.gz XFGOQBVVHLQRCK-QGZVFWFLSA-N 1 3 315.461 2.298 20 0 DEADHO C[C@H](CC[NH+](C)C)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC001362009565 1152800599 /nfs/dbraw/zinc/80/05/99/1152800599.db2.gz OBYIGNUDPWPKSR-OAHLLOKOSA-N 1 3 323.456 2.304 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccccc2)C1 ZINC001380675080 1152842315 /nfs/dbraw/zinc/84/23/15/1152842315.db2.gz IHWMKTCGIKQQRX-AEFFLSMTSA-N 1 3 317.477 2.353 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](CC)N(C)C)CC1 ZINC001380804176 1152858982 /nfs/dbraw/zinc/85/89/82/1152858982.db2.gz NFBCDJZFTAJPKL-VGWMRTNUSA-N 1 3 315.477 2.339 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccsc2)CCC1)N(C)C ZINC001380879558 1152871892 /nfs/dbraw/zinc/87/18/92/1152871892.db2.gz MBDCUKZLKIIZLV-AWEZNQCLSA-N 1 3 309.479 2.217 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)CC1(C)C)N(C)C ZINC001381135830 1152922590 /nfs/dbraw/zinc/92/25/90/1152922590.db2.gz RDTKOLAFGHDSTJ-JKSUJKDBSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CC2)CC1(C)C)N(C)C ZINC001381135830 1152922594 /nfs/dbraw/zinc/92/25/94/1152922594.db2.gz RDTKOLAFGHDSTJ-JKSUJKDBSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C2(N(C)C)CCCC2)C1 ZINC001362527783 1152958590 /nfs/dbraw/zinc/95/85/90/1152958590.db2.gz HWKRAADJPXQGQM-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C2(N(C)C)CCCC2)C1 ZINC001362527783 1152958600 /nfs/dbraw/zinc/95/86/00/1152958600.db2.gz HWKRAADJPXQGQM-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO C[NH+](C)CC1(CNC(=O)C(C)(C)N2CCCCC2)CCCC1 ZINC001362629096 1153017040 /nfs/dbraw/zinc/01/70/40/1153017040.db2.gz KGCBLFLYOGOEBH-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H](C)CC[NH+](C)C ZINC001363144759 1153241272 /nfs/dbraw/zinc/24/12/72/1153241272.db2.gz WEVMWIJXDWOBGJ-HZPDHXFCSA-N 1 3 305.466 2.211 20 0 DEADHO C[C@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccsc1 ZINC001382125512 1153368231 /nfs/dbraw/zinc/36/82/31/1153368231.db2.gz PZSYSLIPVPLKOI-UONOGXRCSA-N 1 3 309.479 2.026 20 0 DEADHO Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)[C@@H]2C)c1 ZINC001382313348 1153420795 /nfs/dbraw/zinc/42/07/95/1153420795.db2.gz SUTVCCQBVNZQKS-SJLPKXTDSA-N 1 3 317.477 2.414 20 0 DEADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccsc2)C1)N(C)C ZINC001382588715 1153476655 /nfs/dbraw/zinc/47/66/55/1153476655.db2.gz ISQFCYAABOLTLQ-NRXISQOPSA-N 1 3 309.479 2.167 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]1CC[NH+]1CCC(C)CC1)N(C)C ZINC001363598242 1153478946 /nfs/dbraw/zinc/47/89/46/1153478946.db2.gz LHYCWCGSRBRAKK-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[NH+]1CCC(C(=O)NC[C@H]2CCN2C(C)(C)C)CC1 ZINC001363943066 1153733936 /nfs/dbraw/zinc/73/39/36/1153733936.db2.gz ZIWCKUAQVMETOR-MRXNPFEDSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccc(Cl)cc1 ZINC001403006464 1162618551 /nfs/dbraw/zinc/61/85/51/1162618551.db2.gz PAEZVTUJOZIBEF-KGLIPLIRSA-N 1 3 323.868 2.276 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@H](C)[NH2+]CCC1CCCC1 ZINC001403010069 1162622257 /nfs/dbraw/zinc/62/22/57/1162622257.db2.gz MLCCAECTVNYARW-QWHCGFSZSA-N 1 3 306.454 2.324 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CCc1ccccc1 ZINC001403032603 1162642116 /nfs/dbraw/zinc/64/21/16/1162642116.db2.gz JAZZFJRMWHCKSI-JKSUJKDBSA-N 1 3 305.466 2.052 20 0 DEADHO Cc1ccc(F)c(CN[C@@H](C)CNC(=O)C2CC[NH+](C)CC2)c1 ZINC001403045368 1162658462 /nfs/dbraw/zinc/65/84/62/1162658462.db2.gz LEBPIRCRYBKVSH-AWEZNQCLSA-N 1 3 321.440 2.070 20 0 DEADHO CC(C)CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001389757125 1155417760 /nfs/dbraw/zinc/41/77/60/1155417760.db2.gz GCJZNUYVVVSRTQ-OKZBNKHCSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001389757125 1155417765 /nfs/dbraw/zinc/41/77/65/1155417765.db2.gz GCJZNUYVVVSRTQ-OKZBNKHCSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001390037080 1155506273 /nfs/dbraw/zinc/50/62/73/1155506273.db2.gz JWCLNSCDXZNUEC-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001390037080 1155506274 /nfs/dbraw/zinc/50/62/74/1155506274.db2.gz JWCLNSCDXZNUEC-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001390037085 1155506618 /nfs/dbraw/zinc/50/66/18/1155506618.db2.gz JWCLNSCDXZNUEC-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C)C[N@H+]1CCC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001390037085 1155506620 /nfs/dbraw/zinc/50/66/20/1155506620.db2.gz JWCLNSCDXZNUEC-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)N1CCCC1 ZINC001390135287 1155540181 /nfs/dbraw/zinc/54/01/81/1155540181.db2.gz REUYEYPJVZSCQC-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)N1CCCC1 ZINC001390135287 1155540182 /nfs/dbraw/zinc/54/01/82/1155540182.db2.gz REUYEYPJVZSCQC-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001371041450 1155666382 /nfs/dbraw/zinc/66/63/82/1155666382.db2.gz IMUAGAHURVTZAT-YTGMWSOZSA-N 1 3 321.509 2.342 20 0 DEADHO CC(C)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001371041450 1155666390 /nfs/dbraw/zinc/66/63/90/1155666390.db2.gz IMUAGAHURVTZAT-YTGMWSOZSA-N 1 3 321.509 2.342 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001390632825 1155820702 /nfs/dbraw/zinc/82/07/02/1155820702.db2.gz BIFYFMNLIVMVEF-SFHVURJKSA-N 1 3 317.477 2.450 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001390632825 1155820703 /nfs/dbraw/zinc/82/07/03/1155820703.db2.gz BIFYFMNLIVMVEF-SFHVURJKSA-N 1 3 317.477 2.450 20 0 DEADHO Cc1ccccc1C[NH2+][C@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001371772683 1156009121 /nfs/dbraw/zinc/00/91/21/1156009121.db2.gz UVONTRUEIZAHBD-MRXNPFEDSA-N 1 3 317.477 2.464 20 0 DEADHO Cc1ccccc1C[NH2+][C@H](C)CCNC(=O)CN(C)C(C)C ZINC001371886716 1156054178 /nfs/dbraw/zinc/05/41/78/1156054178.db2.gz IXBWPTDKBSSSDZ-MRXNPFEDSA-N 1 3 305.466 2.320 20 0 DEADHO CC[C@@H](F)C[N@@H+]1CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001372663993 1156651110 /nfs/dbraw/zinc/65/11/10/1156651110.db2.gz TWZRZGWUAYFPKK-LSDHHAIUSA-N 1 3 315.477 2.151 20 0 DEADHO CC[C@@H](F)C[N@H+]1CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001372663993 1156651112 /nfs/dbraw/zinc/65/11/12/1156651112.db2.gz TWZRZGWUAYFPKK-LSDHHAIUSA-N 1 3 315.477 2.151 20 0 DEADHO C[C@@H](CNC(=O)CC[NH+](C)C)N(C)Cc1ccc(CF)cc1 ZINC001403161740 1162801384 /nfs/dbraw/zinc/80/13/84/1162801384.db2.gz DBHVKSBWLHNZKY-AWEZNQCLSA-N 1 3 309.429 2.044 20 0 DEADHO Cc1ccc(F)c(CN[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001403215797 1162821022 /nfs/dbraw/zinc/82/10/22/1162821022.db2.gz ZYBIDGKHZLWTQD-INIZCTEOSA-N 1 3 321.440 2.166 20 0 DEADHO CC[C@H](C(=O)NCc1ccc(CC[NH2+]C(C)C)cc1)N(C)C ZINC001403266951 1162831943 /nfs/dbraw/zinc/83/19/43/1162831943.db2.gz GCCSVOFOYWQLJL-QGZVFWFLSA-N 1 3 305.466 2.184 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCc1ccccc1F ZINC001392489403 1157072120 /nfs/dbraw/zinc/07/21/20/1157072120.db2.gz YSNKBGMOBGDSQO-RHSMWYFYSA-N 1 3 321.440 2.294 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCc1ccccc1F ZINC001392489403 1157072127 /nfs/dbraw/zinc/07/21/27/1157072127.db2.gz YSNKBGMOBGDSQO-RHSMWYFYSA-N 1 3 321.440 2.294 20 0 DEADHO CC(C)C[C@H](C)C[NH+]1CC(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001373538789 1157086879 /nfs/dbraw/zinc/08/68/79/1157086879.db2.gz NVXXNCNIXDWQSL-HOTGVXAUSA-N 1 3 309.498 2.058 20 0 DEADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCc1ccccc1 ZINC001373756910 1157342986 /nfs/dbraw/zinc/34/29/86/1157342986.db2.gz AJWHWFGONCUSIF-KRWDZBQOSA-N 1 3 317.477 2.198 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](CC)[NH2+]C/C=C\Cl ZINC001373761954 1157347754 /nfs/dbraw/zinc/34/77/54/1157347754.db2.gz QFNFMPWKZNRLBC-JFDUVMPXSA-N 1 3 301.862 2.098 20 0 DEADHO CC(C)C[C@@H](C)C[NH+]1CC([C@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001403341560 1162855928 /nfs/dbraw/zinc/85/59/28/1162855928.db2.gz CKNYFCYUZARNNO-CVEARBPZSA-N 1 3 311.514 2.445 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2cccc(Cl)c2)CC1 ZINC001392948214 1157560312 /nfs/dbraw/zinc/56/03/12/1157560312.db2.gz GQDKPWNNOVKBTA-UHFFFAOYSA-N 1 3 323.868 2.420 20 0 DEADHO Cc1cccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001374099971 1157623301 /nfs/dbraw/zinc/62/33/01/1157623301.db2.gz SPZFINOHLMIFAN-FUHWJXTLSA-N 1 3 319.493 2.423 20 0 DEADHO CC(C)C[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1CCCC1 ZINC001393081476 1157662074 /nfs/dbraw/zinc/66/20/74/1157662074.db2.gz GSKCWAYKWFWARF-SJORKVTESA-N 1 3 311.514 2.493 20 0 DEADHO C[C@@H]([NH2+]CCC1CC1)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001393391101 1157818621 /nfs/dbraw/zinc/81/86/21/1157818621.db2.gz POUIAOXHXOVMKR-SJLPKXTDSA-N 1 3 321.509 2.345 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CCC(N(C)C/C=C/Cl)CC1 ZINC001403482867 1162896997 /nfs/dbraw/zinc/89/69/97/1162896997.db2.gz IPTUXAYYKUCLBV-WEVVVXLNSA-N 1 3 301.862 2.004 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CCC(N(C)C/C=C/Cl)CC1 ZINC001403482867 1162896998 /nfs/dbraw/zinc/89/69/98/1162896998.db2.gz IPTUXAYYKUCLBV-WEVVVXLNSA-N 1 3 301.862 2.004 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccsc2)[C@H](C)C1 ZINC001374381797 1157833350 /nfs/dbraw/zinc/83/33/50/1157833350.db2.gz HAKJEWQMCVHJQR-GDBMZVCRSA-N 1 3 323.506 2.417 20 0 DEADHO C[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)C(C)(C)N1CCCC1 ZINC001374797632 1158030828 /nfs/dbraw/zinc/03/08/28/1158030828.db2.gz BTRNONLXOWBNCT-CQSZACIVSA-N 1 3 309.498 2.391 20 0 DEADHO CCc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H](CC)N(C)C)cc1 ZINC001374962823 1158132209 /nfs/dbraw/zinc/13/22/09/1158132209.db2.gz WWAAQDFHHZWRKT-WMLDXEAASA-N 1 3 305.466 2.184 20 0 DEADHO Cc1cccc(C[N@@H+](C)[C@@H](C)CNC(=O)CN(C)C(C)C)c1 ZINC001394138500 1158330139 /nfs/dbraw/zinc/33/01/39/1158330139.db2.gz GZKFFJSDFLZHAS-INIZCTEOSA-N 1 3 305.466 2.272 20 0 DEADHO Cc1cccc(C[N@H+](C)[C@@H](C)CNC(=O)CN(C)C(C)C)c1 ZINC001394138500 1158330145 /nfs/dbraw/zinc/33/01/45/1158330145.db2.gz GZKFFJSDFLZHAS-INIZCTEOSA-N 1 3 305.466 2.272 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)C1C[NH+](CC2CCCCC2)C1 ZINC001394233815 1158386975 /nfs/dbraw/zinc/38/69/75/1158386975.db2.gz ZKKAOKSAOVPPCG-HNNXBMFYSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1[NH2+]CC1CCC1 ZINC001375288983 1158427584 /nfs/dbraw/zinc/42/75/84/1158427584.db2.gz QMKIZOHGKXJRTL-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(C)c1 ZINC001394542883 1158624101 /nfs/dbraw/zinc/62/41/01/1158624101.db2.gz QULJTKZVMBVUDL-INIZCTEOSA-N 1 3 305.466 2.273 20 0 DEADHO C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)NC/C=C\Cl ZINC001394568929 1158638679 /nfs/dbraw/zinc/63/86/79/1158638679.db2.gz VQABNDZRRYKINX-IQCBXXCUSA-N 1 3 301.862 2.051 20 0 DEADHO C[C@@H](CN(C)C(=O)CC[NH+]1CCCCC1)NC/C=C/Cl ZINC001394568940 1158638807 /nfs/dbraw/zinc/63/88/07/1158638807.db2.gz VQABNDZRRYKINX-OWNNVSBGSA-N 1 3 301.862 2.051 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CCC2CC2)CN1C(=O)CN(C)CC(C)(C)C ZINC001394671040 1158665108 /nfs/dbraw/zinc/66/51/08/1158665108.db2.gz OXVLJHVFTOUYPM-ZBFHGGJFSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]CC3CCCC3)C2)C1 ZINC001375541080 1158807489 /nfs/dbraw/zinc/80/74/89/1158807489.db2.gz IPNKQMHJEZWRGW-DJIMGWMZSA-N 1 3 307.482 2.003 20 0 DEADHO CCCC[NH+]1CCC(C2(NC(=O)CN3CC[C@H](C)C3)CC2)CC1 ZINC001394860431 1158816609 /nfs/dbraw/zinc/81/66/09/1158816609.db2.gz NMEUJBHKAVUTFP-INIZCTEOSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001376411361 1159395198 /nfs/dbraw/zinc/39/51/98/1159395198.db2.gz WUVSNXRXOCDCCS-WKILWMFISA-N 1 3 323.868 2.417 20 0 DEADHO CCC(CC)C[NH2+]C1(CNC(=O)Cc2nc[nH]c2C)CCC1 ZINC001376809155 1159809007 /nfs/dbraw/zinc/80/90/07/1159809007.db2.gz PIMVJUROUXXNRP-UHFFFAOYSA-N 1 3 306.454 2.325 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1)N(C)C ZINC001376858898 1159824874 /nfs/dbraw/zinc/82/48/74/1159824874.db2.gz VZLSQEIHHDZZGN-KSSFIOAISA-N 1 3 317.477 2.499 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001376857877 1159824911 /nfs/dbraw/zinc/82/49/11/1159824911.db2.gz UHOOLVSVKLSDHK-BBRMVZONSA-N 1 3 309.429 2.069 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001376953202 1159854875 /nfs/dbraw/zinc/85/48/75/1159854875.db2.gz GWPXBLRQHFILDQ-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccsc1)N(C)C ZINC001403642999 1163071987 /nfs/dbraw/zinc/07/19/87/1163071987.db2.gz URNIMORCDYENTB-UKRRQHHQSA-N 1 3 311.495 2.271 20 0 DEADHO CC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001377049363 1159885737 /nfs/dbraw/zinc/88/57/37/1159885737.db2.gz LTZBCTFSLUJLLX-RHSMWYFYSA-N 1 3 323.456 2.459 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001377092265 1159896940 /nfs/dbraw/zinc/89/69/40/1159896940.db2.gz CGVJJIZQRIUSCR-GFCCVEGCSA-N 1 3 318.396 2.084 20 0 DEADHO Cc1ccc(C)c(C[N@@H+](C)CCNC(=O)CN(C)C(C)C)c1 ZINC001377278607 1160105443 /nfs/dbraw/zinc/10/54/43/1160105443.db2.gz XBBHTWVXKMLPHS-UHFFFAOYSA-N 1 3 305.466 2.192 20 0 DEADHO Cc1ccc(C)c(C[N@H+](C)CCNC(=O)CN(C)C(C)C)c1 ZINC001377278607 1160105456 /nfs/dbraw/zinc/10/54/56/1160105456.db2.gz XBBHTWVXKMLPHS-UHFFFAOYSA-N 1 3 305.466 2.192 20 0 DEADHO CC[C@@H](F)C[NH2+]C1(C)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001377284387 1160118704 /nfs/dbraw/zinc/11/87/04/1160118704.db2.gz IECHBBKYVPVQDY-CQSZACIVSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C[C@H]1CCN1CC1CC1)[NH+]1CCCCC1 ZINC001397579599 1160343934 /nfs/dbraw/zinc/34/39/34/1160343934.db2.gz NSGSBBSFMXIVHR-MSOLQXFVSA-N 1 3 321.509 2.440 20 0 DEADHO CC1CC(C[NH2+][C@H]2C[C@@H](CNC(=O)C(C)(C)N3CCCC3)C2)C1 ZINC001397626653 1160369731 /nfs/dbraw/zinc/36/97/31/1160369731.db2.gz MNOOWQBOXARSQP-UCUFBTAOSA-N 1 3 321.509 2.391 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H]1C[C@H]([NH2+]C/C=C/Cl)C1 ZINC001397675863 1160393880 /nfs/dbraw/zinc/39/38/80/1160393880.db2.gz MSGUYFYCNFXITD-ADMUNBKSSA-N 1 3 313.873 2.096 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1 ZINC001397692963 1160404066 /nfs/dbraw/zinc/40/40/66/1160404066.db2.gz GZFDGMOUMRXEBC-WKILWMFISA-N 1 3 318.465 2.325 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@@H]([NH2+]CC2CC2)c2ccccc2)C1 ZINC001377613401 1160590330 /nfs/dbraw/zinc/59/03/30/1160590330.db2.gz MOAFJWONLQZOQK-CRAIPNDOSA-N 1 3 315.461 2.185 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]([NH2+]CC1CC(C)(C)C1)C1CC1)N(C)C ZINC001398444477 1160892406 /nfs/dbraw/zinc/89/24/06/1160892406.db2.gz HEYGNWDMZIOTQK-HZPDHXFCSA-N 1 3 309.498 2.247 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001398463051 1160898662 /nfs/dbraw/zinc/89/86/62/1160898662.db2.gz KQBBLXCBIGNZAR-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001398463051 1160898665 /nfs/dbraw/zinc/89/86/65/1160898665.db2.gz KQBBLXCBIGNZAR-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(C)sc2C)C1 ZINC001398527942 1160947653 /nfs/dbraw/zinc/94/76/53/1160947653.db2.gz RTJQZDKFHMEWEH-INIZCTEOSA-N 1 3 323.506 2.397 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001398574787 1160993653 /nfs/dbraw/zinc/99/36/53/1160993653.db2.gz MEAVPSLSBPXXTI-XIRDDKMYSA-N 1 3 303.450 2.325 20 0 DEADHO Cc1cccc(CN2CCC[C@H](NC(=O)CC[NH+](C)C)[C@H]2C)c1 ZINC001403776292 1163168692 /nfs/dbraw/zinc/16/86/92/1163168692.db2.gz AJBHGYYRSGEYAJ-AEFFLSMTSA-N 1 3 317.477 2.416 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)C/C=C\c1ccccc1)N(C)C ZINC001378129664 1161040476 /nfs/dbraw/zinc/04/04/76/1161040476.db2.gz KFNXFTDMSBEIGU-LTKWUZHNSA-N 1 3 317.477 2.477 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)C/C=C\c1ccccc1)N(C)C ZINC001378129664 1161040482 /nfs/dbraw/zinc/04/04/82/1161040482.db2.gz KFNXFTDMSBEIGU-LTKWUZHNSA-N 1 3 317.477 2.477 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001398676621 1161050434 /nfs/dbraw/zinc/05/04/34/1161050434.db2.gz ZQNZIKXLAMVHMD-FUBFTIANSA-N 1 3 315.461 2.278 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@H](C)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001399438042 1161396290 /nfs/dbraw/zinc/39/62/90/1161396290.db2.gz WWBIDOZFSXVNSW-UONOGXRCSA-N 1 3 319.440 2.246 20 0 DEADHO Cc1cccc(C[N@@H+](C)CCNC(=O)C2(N(C)C)CCC2)c1 ZINC001399496669 1161426653 /nfs/dbraw/zinc/42/66/53/1161426653.db2.gz FFIVPIIVGFWSTN-UHFFFAOYSA-N 1 3 303.450 2.027 20 0 DEADHO Cc1cccc(C[N@H+](C)CCNC(=O)C2(N(C)C)CCC2)c1 ZINC001399496669 1161426660 /nfs/dbraw/zinc/42/66/60/1161426660.db2.gz FFIVPIIVGFWSTN-UHFFFAOYSA-N 1 3 303.450 2.027 20 0 DEADHO Cc1ccc(CC[N@@H+](C)CCNC(=O)C2(N(C)C)CCC2)cc1 ZINC001399500919 1161428545 /nfs/dbraw/zinc/42/85/45/1161428545.db2.gz XBWHPGZPWRNVQZ-UHFFFAOYSA-N 1 3 317.477 2.070 20 0 DEADHO Cc1ccc(CC[N@H+](C)CCNC(=O)C2(N(C)C)CCC2)cc1 ZINC001399500919 1161428552 /nfs/dbraw/zinc/42/85/52/1161428552.db2.gz XBWHPGZPWRNVQZ-UHFFFAOYSA-N 1 3 317.477 2.070 20 0 DEADHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCC1CCCC1 ZINC001400850655 1161834297 /nfs/dbraw/zinc/83/42/97/1161834297.db2.gz IRNLECOVHAIXKO-WBVHZDCISA-N 1 3 309.498 2.393 20 0 DEADHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1csc(C)c1 ZINC001400866983 1161837897 /nfs/dbraw/zinc/83/78/97/1161837897.db2.gz UHACYHJBSXMARF-CZUORRHYSA-N 1 3 323.506 2.383 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001401249963 1161905265 /nfs/dbraw/zinc/90/52/65/1161905265.db2.gz CLTKCCPJVBWQMK-RDJZCZTQSA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001401250015 1161905340 /nfs/dbraw/zinc/90/53/40/1161905340.db2.gz CTTNWVBBCKNOOO-WMLDXEAASA-N 1 3 323.456 2.433 20 0 DEADHO CC(C)[N@H+](C)CCC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001401305398 1161922506 /nfs/dbraw/zinc/92/25/06/1161922506.db2.gz PJJGNVPLRNATTN-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[N@@H+](C)CCC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001401305398 1161922509 /nfs/dbraw/zinc/92/25/09/1161922509.db2.gz PJJGNVPLRNATTN-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@@H](C[NH2+][C@@H](C)c1ccccc1F)NC(=O)C1(N(C)C)CCC1 ZINC001401684712 1162075091 /nfs/dbraw/zinc/07/50/91/1162075091.db2.gz GJLYOMLRYPFZAM-KBPBESRZSA-N 1 3 321.440 2.465 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C[NH2+]CC1CC(C)(C)C1)C1CC1)N(C)C ZINC001401873409 1162161888 /nfs/dbraw/zinc/16/18/88/1162161888.db2.gz OVCRWNGPBHFTIK-IAGOWNOFSA-N 1 3 323.525 2.493 20 0 DEADHO C[NH+](C)CCCC(=O)NC[C@H]1CCN1CC1CC2(CCC2)C1 ZINC001401905739 1162175080 /nfs/dbraw/zinc/17/50/80/1162175080.db2.gz QEUCWQFBDNVDHW-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO Cc1cc(C[NH2+]C2(CNC(=O)CN3CC[C@@H](C)C3)CC2)cs1 ZINC001401960591 1162197598 /nfs/dbraw/zinc/19/75/98/1162197598.db2.gz DYTOVMDBNOXRSN-CYBMUJFWSA-N 1 3 321.490 2.137 20 0 DEADHO CC(C)CC[NH2+][C@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CC1(C)C ZINC001403807383 1163209269 /nfs/dbraw/zinc/20/92/69/1163209269.db2.gz KBXUYXLVPOOWJX-HOTGVXAUSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]Cc1cccnc1)C(C)(C)C ZINC001403987856 1163355125 /nfs/dbraw/zinc/35/51/25/1163355125.db2.gz WYXUJZUQXJRVHR-INIZCTEOSA-N 1 3 320.481 2.042 20 0 DEADHO CC(C)CCC[NH+]1CC(CNC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001404934815 1163864579 /nfs/dbraw/zinc/86/45/79/1163864579.db2.gz VGISBPRCYXXCBE-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH+]1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001404946687 1163867248 /nfs/dbraw/zinc/86/72/48/1163867248.db2.gz NCASOZCGKYZPPJ-MRXNPFEDSA-N 1 3 317.477 2.444 20 0 DEADHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC1CCCCC1 ZINC001405314373 1164049321 /nfs/dbraw/zinc/04/93/21/1164049321.db2.gz YECFPRQCYALJKE-RDJZCZTQSA-N 1 3 309.498 2.393 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@H](C)c1ccccc1C ZINC001406418677 1164582778 /nfs/dbraw/zinc/58/27/78/1164582778.db2.gz COHUPOZGVVFAKH-HZPDHXFCSA-N 1 3 305.466 2.492 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccsc2)C1 ZINC001407516486 1165178647 /nfs/dbraw/zinc/17/86/47/1165178647.db2.gz GBDOKTIYQTVDAL-GDBMZVCRSA-N 1 3 323.506 2.417 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C(C)C ZINC001407750820 1165285470 /nfs/dbraw/zinc/28/54/70/1165285470.db2.gz LNELODCKPJRTJL-SJORKVTESA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@H](F)CNC1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCC1 ZINC001407783644 1165308507 /nfs/dbraw/zinc/30/85/07/1165308507.db2.gz WDUKYPUZAGQARG-SOUVJXGZSA-N 1 3 313.461 2.093 20 0 DEADHO CC[C@H](F)CNC1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCC1 ZINC001407783644 1165308508 /nfs/dbraw/zinc/30/85/08/1165308508.db2.gz WDUKYPUZAGQARG-SOUVJXGZSA-N 1 3 313.461 2.093 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001408107086 1165480492 /nfs/dbraw/zinc/48/04/92/1165480492.db2.gz TYYNJYISBRKKGA-DOTOQJQBSA-N 1 3 321.509 2.345 20 0 DEADHO CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001408359408 1165612972 /nfs/dbraw/zinc/61/29/72/1165612972.db2.gz YRIXJRFOQLFLTG-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001408359408 1165612973 /nfs/dbraw/zinc/61/29/73/1165612973.db2.gz YRIXJRFOQLFLTG-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1CCCCN1C ZINC001414642118 1165915650 /nfs/dbraw/zinc/91/56/50/1165915650.db2.gz MMLPHUXXOPNQMG-IRXDYDNUSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCN1CCCC(C)(C)C1 ZINC001417728924 1167170774 /nfs/dbraw/zinc/17/07/74/1167170774.db2.gz QAXLXMSCGZOULB-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCN1CCCC(C)(C)C1 ZINC001417728924 1167170776 /nfs/dbraw/zinc/17/07/76/1167170776.db2.gz QAXLXMSCGZOULB-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001417772878 1167203299 /nfs/dbraw/zinc/20/32/99/1167203299.db2.gz DPNDBTPJZQACCY-OTVXOJSOSA-N 1 3 318.465 2.181 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001417776099 1167205938 /nfs/dbraw/zinc/20/59/38/1167205938.db2.gz XDIJAFRGQZLCKL-CALCHBBNSA-N 1 3 303.450 2.013 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC001417915925 1167305044 /nfs/dbraw/zinc/30/50/44/1167305044.db2.gz FTQUHEUUQSPMSN-SFHVURJKSA-N 1 3 317.477 2.152 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC001417915925 1167305049 /nfs/dbraw/zinc/30/50/49/1167305049.db2.gz FTQUHEUUQSPMSN-SFHVURJKSA-N 1 3 317.477 2.152 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CC12CC[NH+](CCC1CC1)CC2)N(C)C ZINC001417951592 1167322954 /nfs/dbraw/zinc/32/29/54/1167322954.db2.gz BVSCYLJCQWAANC-JKSUJKDBSA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)CCC1 ZINC001418065119 1167390052 /nfs/dbraw/zinc/39/00/52/1167390052.db2.gz XVGXIBNTOZLBFF-NQNKBUKLSA-N 1 3 319.493 2.144 20 0 DEADHO CC[N@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC001418090406 1167404663 /nfs/dbraw/zinc/40/46/63/1167404663.db2.gz XOMCINOULKGLKU-HCAHTGKVSA-N 1 3 313.873 2.192 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC001418090406 1167404666 /nfs/dbraw/zinc/40/46/66/1167404666.db2.gz XOMCINOULKGLKU-HCAHTGKVSA-N 1 3 313.873 2.192 20 0 DEADHO C[C@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001418089864 1167404915 /nfs/dbraw/zinc/40/49/15/1167404915.db2.gz AGDKSLMDGOZCMH-SOUVJXGZSA-N 1 3 313.461 2.236 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2F)C1)N(C)C ZINC001418093266 1167406384 /nfs/dbraw/zinc/40/63/84/1167406384.db2.gz GFXHBBQVVWCZPT-UXLLHSPISA-N 1 3 321.440 2.149 20 0 DEADHO C[NH+](C)CCC(=O)N1CCC[C@H](CNC/C(Cl)=C/Cl)C1 ZINC001418134481 1167432686 /nfs/dbraw/zinc/43/26/86/1167432686.db2.gz ASFQDIUAXANYDM-YFBAIUBQSA-N 1 3 322.280 2.085 20 0 DEADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)NCc1ccsc1 ZINC001418278943 1167542257 /nfs/dbraw/zinc/54/22/57/1167542257.db2.gz AWLPXMZZCZQVPY-ZDUSSCGKSA-N 1 3 309.479 2.074 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC001418298798 1167559249 /nfs/dbraw/zinc/55/92/49/1167559249.db2.gz LPKRWSXDVTVCKK-HOTGVXAUSA-N 1 3 305.466 2.492 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([N@H+](C)CC2CC(C)C2)C1 ZINC001418373281 1167605194 /nfs/dbraw/zinc/60/51/94/1167605194.db2.gz FKFCGRHGVMAARW-OFLPRAFFSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CC(C)C2)C1 ZINC001418373281 1167605197 /nfs/dbraw/zinc/60/51/97/1167605197.db2.gz FKFCGRHGVMAARW-OFLPRAFFSA-N 1 3 309.498 2.296 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+]Cc1cccc(C)c1 ZINC001418430010 1167649943 /nfs/dbraw/zinc/64/99/43/1167649943.db2.gz UGWAJJUQIRUGEJ-CQSZACIVSA-N 1 3 314.433 2.254 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCC2)C1)N(C)C ZINC001418730703 1167923171 /nfs/dbraw/zinc/92/31/71/1167923171.db2.gz BCOQMSZEPJTQSQ-GVDBMIGSSA-N 1 3 309.498 2.247 20 0 DEADHO CN(CC(=O)NC[C@H]([NH2+]Cc1ccccc1)C1CC1)C1CCC1 ZINC001419268242 1168362016 /nfs/dbraw/zinc/36/20/16/1168362016.db2.gz STTUKBHUCPYIHI-SFHVURJKSA-N 1 3 315.461 2.155 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001419744834 1168829314 /nfs/dbraw/zinc/82/93/14/1168829314.db2.gz JJLKIKUSZHJFFL-ZIAGYGMSSA-N 1 3 301.450 2.093 20 0 DEADHO CC[C@@H](F)C[NH2+][C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001419744832 1168829566 /nfs/dbraw/zinc/82/95/66/1168829566.db2.gz JJLKIKUSZHJFFL-UONOGXRCSA-N 1 3 301.450 2.093 20 0 DEADHO CC(C)[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CC1CC1 ZINC001419877605 1168887218 /nfs/dbraw/zinc/88/72/18/1168887218.db2.gz BZGKWERCSGJVHQ-INIZCTEOSA-N 1 3 309.498 2.391 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cncs2)C1 ZINC001420018853 1169066964 /nfs/dbraw/zinc/06/69/64/1169066964.db2.gz KARXRVNYCRKYHK-ZIAGYGMSSA-N 1 3 324.494 2.002 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001420030503 1169082486 /nfs/dbraw/zinc/08/24/86/1169082486.db2.gz ZMHWBYYFJHJQEY-CHWSQXEVSA-N 1 3 323.403 2.296 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001420166632 1169207077 /nfs/dbraw/zinc/20/70/77/1169207077.db2.gz QVLHTIPMAABJRT-CQSZACIVSA-N 1 3 309.429 2.150 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(C2CC2)cc1)N(C)C ZINC001420313984 1169348452 /nfs/dbraw/zinc/34/84/52/1169348452.db2.gz XUVYUCFDRBWXQE-RDTXWAMCSA-N 1 3 317.477 2.499 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CC[N@H+](CC2CC2)C1)N1CCCCC1 ZINC001420633099 1169842093 /nfs/dbraw/zinc/84/20/93/1169842093.db2.gz AOELPJRHWUEIDI-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCCCC1 ZINC001420633099 1169842096 /nfs/dbraw/zinc/84/20/96/1169842096.db2.gz AOELPJRHWUEIDI-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)C[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001421016958 1171431787 /nfs/dbraw/zinc/43/17/87/1171431787.db2.gz ARASQNGTHPMCPT-GOSISDBHSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)C[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001421016958 1171431794 /nfs/dbraw/zinc/43/17/94/1171431794.db2.gz ARASQNGTHPMCPT-GOSISDBHSA-N 1 3 321.509 2.440 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C)cc1 ZINC001421765175 1171977064 /nfs/dbraw/zinc/97/70/64/1171977064.db2.gz FDSACRWQGKJPLC-AWEZNQCLSA-N 1 3 314.433 2.111 20 0 DEADHO C[C@@H](C[NH2+]Cc1cccc(F)c1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001421945781 1172166194 /nfs/dbraw/zinc/16/61/94/1172166194.db2.gz PEARMJRBYBQHDI-CABCVRRESA-N 1 3 321.440 2.104 20 0 DEADHO CCC[N@H+](C)CCC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001422039359 1172248158 /nfs/dbraw/zinc/24/81/58/1172248158.db2.gz HGGQXUOKHSFUFQ-MRXNPFEDSA-N 1 3 309.498 2.299 20 0 DEADHO CCC[N@@H+](C)CCC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001422039359 1172248162 /nfs/dbraw/zinc/24/81/62/1172248162.db2.gz HGGQXUOKHSFUFQ-MRXNPFEDSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001422071329 1172274619 /nfs/dbraw/zinc/27/46/19/1172274619.db2.gz ZXBNKIGULNBOGA-WMLDXEAASA-N 1 3 321.440 2.102 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]([NH2+]CC1CC(C)(C)C1)C(C)C ZINC001422141499 1172337551 /nfs/dbraw/zinc/33/75/51/1172337551.db2.gz QBWXBCLHCGGDEK-INIZCTEOSA-N 1 3 320.481 2.427 20 0 DEADHO CC[C@H](C(=O)N(C)CC[N@H+](C)CCc1ccc(C)cc1)N(C)C ZINC001422173979 1172370153 /nfs/dbraw/zinc/37/01/53/1172370153.db2.gz HSFNBNYTGDQCEJ-GOSISDBHSA-N 1 3 319.493 2.268 20 0 DEADHO CC[C@H](C(=O)N(C)CC[N@@H+](C)CCc1ccc(C)cc1)N(C)C ZINC001422173979 1172370154 /nfs/dbraw/zinc/37/01/54/1172370154.db2.gz HSFNBNYTGDQCEJ-GOSISDBHSA-N 1 3 319.493 2.268 20 0 DEADHO CN(CCN(C)[C@H]1CCc2c1cccc2F)C(=O)CC[NH+](C)C ZINC001422193348 1172383470 /nfs/dbraw/zinc/38/34/70/1172383470.db2.gz AXERQUGLJHCCRC-KRWDZBQOSA-N 1 3 321.440 2.155 20 0 DEADHO Cc1ccc(C)c(CN(C)CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001422237119 1172424233 /nfs/dbraw/zinc/42/42/33/1172424233.db2.gz NLSMGQNMDSCGPL-QGZVFWFLSA-N 1 3 317.477 2.145 20 0 DEADHO Cc1ccc(C)c(CN(C)CCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001422237119 1172424235 /nfs/dbraw/zinc/42/42/35/1172424235.db2.gz NLSMGQNMDSCGPL-QGZVFWFLSA-N 1 3 317.477 2.145 20 0 DEADHO CCCC[N@H+](C)C[C@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001422244363 1172432481 /nfs/dbraw/zinc/43/24/81/1172432481.db2.gz HNCSZMSHJGPLRJ-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001422244363 1172432484 /nfs/dbraw/zinc/43/24/84/1172432484.db2.gz HNCSZMSHJGPLRJ-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001422268299 1172450876 /nfs/dbraw/zinc/45/08/76/1172450876.db2.gz IYMYSCXOMYIWRA-HZPDHXFCSA-N 1 3 311.514 2.495 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001422587376 1172735615 /nfs/dbraw/zinc/73/56/15/1172735615.db2.gz BNNBVSCEFRFDKW-OCCSQVGLSA-N 1 3 319.440 2.246 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCCc2ccccc21 ZINC001422759739 1172846136 /nfs/dbraw/zinc/84/61/36/1172846136.db2.gz KALBAWHBKAHLLC-MAUKXSAKSA-N 1 3 317.477 2.499 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2C)C1)N(C)C ZINC001422911342 1172922330 /nfs/dbraw/zinc/92/23/30/1172922330.db2.gz LCTOIWDCLHUFCO-KBAYOESNSA-N 1 3 317.477 2.320 20 0 DEADHO Cc1ccc(C)c(C[NH2+]C2(CNC(=O)CN(C)C(C)C)CC2)c1 ZINC001423310213 1173224350 /nfs/dbraw/zinc/22/43/50/1173224350.db2.gz ZIVQCVKCSMSGEV-UHFFFAOYSA-N 1 3 317.477 2.382 20 0 DEADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]CCC2CCCC2)C1)N(C)C ZINC001423686091 1173490849 /nfs/dbraw/zinc/49/08/49/1173490849.db2.gz WQMVVDRWUALVLG-JCYILVPMSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)NCc1ccns1 ZINC001424828399 1173967311 /nfs/dbraw/zinc/96/73/11/1173967311.db2.gz SZDAQDACRKVUMA-QWHCGFSZSA-N 1 3 324.494 2.000 20 0 DEADHO CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001425497506 1174340871 /nfs/dbraw/zinc/34/08/71/1174340871.db2.gz REDRJHHAMSZWTG-WMLDXEAASA-N 1 3 313.461 2.045 20 0 DEADHO C[C@@H]1[C@@H]([NH2+]C/C=C\Cl)CCN1C(=O)CN(C)CC(C)(C)C ZINC001425888871 1174500611 /nfs/dbraw/zinc/50/06/11/1174500611.db2.gz PZGWJFZLHIFYCG-APMKWMSLSA-N 1 3 315.889 2.296 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001427989686 1175214564 /nfs/dbraw/zinc/21/45/64/1175214564.db2.gz IQEGHPQTLPUUMY-SJORKVTESA-N 1 3 322.497 2.177 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001427989686 1175214567 /nfs/dbraw/zinc/21/45/67/1175214567.db2.gz IQEGHPQTLPUUMY-SJORKVTESA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1(N(C)C)CCCC1 ZINC001433662204 1177918112 /nfs/dbraw/zinc/91/81/12/1177918112.db2.gz FZWBXDKNRZAJGV-XHSDSOJGSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1(N(C)C)CCCC1 ZINC001433662204 1177918123 /nfs/dbraw/zinc/91/81/23/1177918123.db2.gz FZWBXDKNRZAJGV-XHSDSOJGSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H](NC/C=C/Cl)C1)[NH+](CC)CC ZINC001436875696 1179286986 /nfs/dbraw/zinc/28/69/86/1179286986.db2.gz LBKXPBJNWYZZNM-LUIPGBGBSA-N 1 3 301.862 2.050 20 0 DEADHO Cc1ccc(CN2CCCC[C@H]2CNC(=O)CC[NH+](C)C)cc1 ZINC001437044920 1179374052 /nfs/dbraw/zinc/37/40/52/1179374052.db2.gz YYGIGRKLBAPILM-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001437059479 1179380074 /nfs/dbraw/zinc/38/00/74/1179380074.db2.gz AELFCWABZJHGEP-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001437059479 1179380082 /nfs/dbraw/zinc/38/00/82/1179380082.db2.gz AELFCWABZJHGEP-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1cccc(C)c1C[NH2+][C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001437142112 1179479718 /nfs/dbraw/zinc/47/97/18/1179479718.db2.gz CJLGGNHGLNTRAO-MRXNPFEDSA-N 1 3 317.477 2.382 20 0 DEADHO C[C@H](CCNC(=O)[C@H]1CCCN1C)[NH2+]Cc1ccccc1Cl ZINC001437375839 1179772135 /nfs/dbraw/zinc/77/21/35/1179772135.db2.gz PBQUJGWYDIPGBR-CZUORRHYSA-N 1 3 323.868 2.419 20 0 DEADHO CN(CC(=O)NCC[N@H+](C)[C@@H]1CCc2ccccc21)C1CCC1 ZINC001437469875 1179815279 /nfs/dbraw/zinc/81/52/79/1179815279.db2.gz AMCBBNHVBYOLLU-GOSISDBHSA-N 1 3 315.461 2.206 20 0 DEADHO CN(CC(=O)NCC[N@@H+](C)[C@@H]1CCc2ccccc21)C1CCC1 ZINC001437469875 1179815282 /nfs/dbraw/zinc/81/52/82/1179815282.db2.gz AMCBBNHVBYOLLU-GOSISDBHSA-N 1 3 315.461 2.206 20 0 DEADHO CN(C)C1(C(=O)NCC[N@H+](C)[C@H]2CCc3ccccc32)CCC1 ZINC001437473824 1179816900 /nfs/dbraw/zinc/81/69/00/1179816900.db2.gz YGRAQGBDPCBOOJ-KRWDZBQOSA-N 1 3 315.461 2.206 20 0 DEADHO CN(C)C1(C(=O)NCC[N@@H+](C)[C@H]2CCc3ccccc32)CCC1 ZINC001437473824 1179816901 /nfs/dbraw/zinc/81/69/01/1179816901.db2.gz YGRAQGBDPCBOOJ-KRWDZBQOSA-N 1 3 315.461 2.206 20 0 DEADHO Cc1ccccc1CN(C)CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001437567801 1179848896 /nfs/dbraw/zinc/84/88/96/1179848896.db2.gz ZIDBDGTVVXKIBA-CALCHBBNSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1ccccc1CN(C)CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001437567801 1179848898 /nfs/dbraw/zinc/84/88/98/1179848898.db2.gz ZIDBDGTVVXKIBA-CALCHBBNSA-N 1 3 317.477 2.416 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](CC)Cc1ccccc1 ZINC001437648068 1179875549 /nfs/dbraw/zinc/87/55/49/1179875549.db2.gz FOSJNDKTXBUZGS-SFHVURJKSA-N 1 3 317.477 2.499 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1ccccc1 ZINC001437648068 1179875550 /nfs/dbraw/zinc/87/55/50/1179875550.db2.gz FOSJNDKTXBUZGS-SFHVURJKSA-N 1 3 317.477 2.499 20 0 DEADHO C[C@H]([NH2+]CCN(C)C(=O)CN1CCCC1)c1ccc(F)cc1 ZINC001437840620 1180025664 /nfs/dbraw/zinc/02/56/64/1180025664.db2.gz GENJDYULKYJPLA-AWEZNQCLSA-N 1 3 307.413 2.031 20 0 DEADHO C[C@H](c1ccccc1)N1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001438132519 1180210748 /nfs/dbraw/zinc/21/07/48/1180210748.db2.gz CCXFTNCCJJYBPM-OAHLLOKOSA-N 1 3 315.461 2.137 20 0 DEADHO CC(C)C[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001438192247 1180232099 /nfs/dbraw/zinc/23/20/99/1180232099.db2.gz SXESYCJZNGJLAP-IXDOHACOSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)C[C@@H](C)C[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001438192247 1180232103 /nfs/dbraw/zinc/23/21/03/1180232103.db2.gz SXESYCJZNGJLAP-IXDOHACOSA-N 1 3 311.514 2.445 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]CC1CC2(CCC2)C1 ZINC001438532988 1180558823 /nfs/dbraw/zinc/55/88/23/1180558823.db2.gz QYFIVLWZXYAXTN-HOTGVXAUSA-N 1 3 321.509 2.250 20 0 DEADHO CN(CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC1CC1)CC(C)(C)C ZINC001438961637 1180865577 /nfs/dbraw/zinc/86/55/77/1180865577.db2.gz LOXYBQTVUATSDS-HZPDHXFCSA-N 1 3 309.498 2.249 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1 ZINC001439275202 1180982676 /nfs/dbraw/zinc/98/26/76/1180982676.db2.gz QKDGHNFOYKRNQA-ZDUSSCGKSA-N 1 3 311.857 2.276 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001439398081 1181069602 /nfs/dbraw/zinc/06/96/02/1181069602.db2.gz QMKMOVGUJVMECP-KGLIPLIRSA-N 1 3 319.440 2.200 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[N@@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001439398081 1181069609 /nfs/dbraw/zinc/06/96/09/1181069609.db2.gz QMKMOVGUJVMECP-KGLIPLIRSA-N 1 3 319.440 2.200 20 0 DEADHO CC(C)CC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001439776252 1181231564 /nfs/dbraw/zinc/23/15/64/1181231564.db2.gz HIMBCEKAAYUYAQ-CVEARBPZSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1)N(C)C ZINC001440124686 1181359256 /nfs/dbraw/zinc/35/92/56/1181359256.db2.gz ZKQFALRGJFOYRM-XMTFNYHQSA-N 1 3 321.509 2.486 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1)N(C)C ZINC001440124686 1181359261 /nfs/dbraw/zinc/35/92/61/1181359261.db2.gz ZKQFALRGJFOYRM-XMTFNYHQSA-N 1 3 321.509 2.486 20 0 DEADHO CN(C[C@@H]1CCN1CCc1ccccc1)C(=O)CCC[NH+](C)C ZINC001440250483 1181403215 /nfs/dbraw/zinc/40/32/15/1181403215.db2.gz NTHNYGZUPUPOQT-SFHVURJKSA-N 1 3 317.477 2.104 20 0 DEADHO CC(C)CC[NH2+][C@H]1C[C@H](CNC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001440362709 1181465844 /nfs/dbraw/zinc/46/58/44/1181465844.db2.gz NMAQUIBRTBIQNQ-QAETUUGQSA-N 1 3 309.498 2.390 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)NCC=C(Cl)Cl ZINC001440826492 1181716051 /nfs/dbraw/zinc/71/60/51/1181716051.db2.gz BVWDJYSGLOWIBZ-MNOVXSKESA-N 1 3 310.269 2.130 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)NCC=C(Cl)Cl ZINC001440826492 1181716057 /nfs/dbraw/zinc/71/60/57/1181716057.db2.gz BVWDJYSGLOWIBZ-MNOVXSKESA-N 1 3 310.269 2.130 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC1CCCCC1 ZINC001440841691 1181721463 /nfs/dbraw/zinc/72/14/63/1181721463.db2.gz KFPGSTGEDAKVTC-OLZOCXBDSA-N 1 3 306.454 2.324 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[N@H+](C)CCCC1CCC1 ZINC001440975207 1181807363 /nfs/dbraw/zinc/80/73/63/1181807363.db2.gz VNPOIPFHCOPICW-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[N@@H+](C)CCCC1CCC1 ZINC001440975207 1181807365 /nfs/dbraw/zinc/80/73/65/1181807365.db2.gz VNPOIPFHCOPICW-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[N@H+](CCC2CC2)C1)N1CCCC1 ZINC001441050632 1181835365 /nfs/dbraw/zinc/83/53/65/1181835365.db2.gz ZFLJASBHDAEZCU-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)C1)N1CCCC1 ZINC001441050632 1181835368 /nfs/dbraw/zinc/83/53/68/1181835368.db2.gz ZFLJASBHDAEZCU-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](F)CN(CC)CC)C(C)(C)C1 ZINC001441249408 1181912624 /nfs/dbraw/zinc/91/26/24/1181912624.db2.gz RCRWLHBEDQDGRL-LSDHHAIUSA-N 1 3 315.477 2.293 20 0 DEADHO CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](F)CN(CC)CC)C(C)(C)C1 ZINC001441249408 1181912628 /nfs/dbraw/zinc/91/26/28/1181912628.db2.gz RCRWLHBEDQDGRL-LSDHHAIUSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001441290224 1181932195 /nfs/dbraw/zinc/93/21/95/1181932195.db2.gz DSBHTZGALFMORG-HNNXBMFYSA-N 1 3 306.454 2.169 20 0 DEADHO CC(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001441290224 1181932201 /nfs/dbraw/zinc/93/22/01/1181932201.db2.gz DSBHTZGALFMORG-HNNXBMFYSA-N 1 3 306.454 2.169 20 0 DEADHO CCCN(C)CC(=O)N1C[C@]2(C)C[N@H+](CC3CCC3)C[C@]2(C)C1 ZINC001441338279 1181948424 /nfs/dbraw/zinc/94/84/24/1181948424.db2.gz PZGWUXSMGNYMJM-KDURUIRLSA-N 1 3 321.509 2.299 20 0 DEADHO CCCN(C)CC(=O)N1C[C@]2(C)C[N@@H+](CC3CCC3)C[C@]2(C)C1 ZINC001441338279 1181948428 /nfs/dbraw/zinc/94/84/28/1181948428.db2.gz PZGWUXSMGNYMJM-KDURUIRLSA-N 1 3 321.509 2.299 20 0 DEADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCCN(Cc2ccsc2)C1 ZINC001441567760 1182063824 /nfs/dbraw/zinc/06/38/24/1182063824.db2.gz KVKUDCXHJHAJLQ-HNNXBMFYSA-N 1 3 323.506 2.418 20 0 DEADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCc1ccsc1 ZINC001441852283 1182215993 /nfs/dbraw/zinc/21/59/93/1182215993.db2.gz ADVRZZQQZGHZJB-ZFWWWQNUSA-N 1 3 309.479 2.217 20 0 DEADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCc1ccsc1 ZINC001441852283 1182215996 /nfs/dbraw/zinc/21/59/96/1182215996.db2.gz ADVRZZQQZGHZJB-ZFWWWQNUSA-N 1 3 309.479 2.217 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[NH2+]CCC1CCCCC1 ZINC001442023923 1182292185 /nfs/dbraw/zinc/29/21/85/1182292185.db2.gz SMQQTUOFEQPPIF-CYBMUJFWSA-N 1 3 306.454 2.325 20 0 DEADHO Cc1ccc(C[N@@H+](C)CCNC(=O)CN(C)C(C)C)cc1C ZINC001442619184 1182577049 /nfs/dbraw/zinc/57/70/49/1182577049.db2.gz LXNUBNIFHQVWFQ-UHFFFAOYSA-N 1 3 305.466 2.192 20 0 DEADHO Cc1ccc(C[N@H+](C)CCNC(=O)CN(C)C(C)C)cc1C ZINC001442619184 1182577052 /nfs/dbraw/zinc/57/70/52/1182577052.db2.gz LXNUBNIFHQVWFQ-UHFFFAOYSA-N 1 3 305.466 2.192 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](C)CCCC1CCC1 ZINC001442622434 1182578513 /nfs/dbraw/zinc/57/85/13/1182578513.db2.gz UIPUQGZQZWEZIC-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](C)CCCC1CCC1 ZINC001442622434 1182578523 /nfs/dbraw/zinc/57/85/23/1182578523.db2.gz UIPUQGZQZWEZIC-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CCN(CCNC(=O)CC[NH+](C)C)Cc1ccc2cc[nH]c2c1 ZINC001442724744 1182667798 /nfs/dbraw/zinc/66/77/98/1182667798.db2.gz LUUYRYHMPGBKLM-UHFFFAOYSA-N 1 3 316.449 2.058 20 0 DEADHO CCN(C/C=C\c1ccccc1)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001442744197 1182681084 /nfs/dbraw/zinc/68/10/84/1182681084.db2.gz KWYHSZWLCXWYAI-VOCYLRNQSA-N 1 3 315.461 2.090 20 0 DEADHO CCN(C/C=C\c1ccccc1)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001442744197 1182681089 /nfs/dbraw/zinc/68/10/89/1182681089.db2.gz KWYHSZWLCXWYAI-VOCYLRNQSA-N 1 3 315.461 2.090 20 0 DEADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCC(C)(C)C)CC[N@@H+]1C ZINC001443667879 1183076044 /nfs/dbraw/zinc/07/60/44/1183076044.db2.gz ABAZBYXTNKDJHC-LTIDMASMSA-N 1 3 321.509 2.438 20 0 DEADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCC(C)(C)C)CC[N@H+]1C ZINC001443667879 1183076052 /nfs/dbraw/zinc/07/60/52/1183076052.db2.gz ABAZBYXTNKDJHC-LTIDMASMSA-N 1 3 321.509 2.438 20 0 DEADHO CC[C@@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CC(C)C ZINC001443986055 1183241938 /nfs/dbraw/zinc/24/19/38/1183241938.db2.gz PMBILAFHZVJWMF-WMLDXEAASA-N 1 3 315.477 2.339 20 0 DEADHO CN(CC(=O)N[C@H]1CC[C@H]([NH2+]C/C=C\Cl)CC1)C1CCC1 ZINC001444175278 1183307506 /nfs/dbraw/zinc/30/75/06/1183307506.db2.gz VFZMNAMZSHXDQZ-UWVIULMBSA-N 1 3 313.873 2.240 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC1CCN(CCF)CC1 ZINC001444227899 1183320882 /nfs/dbraw/zinc/32/08/82/1183320882.db2.gz DPZPRPGIPZJWGL-MRXNPFEDSA-N 1 3 313.461 2.049 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCC1CCN(CCF)CC1 ZINC001444227899 1183320889 /nfs/dbraw/zinc/32/08/89/1183320889.db2.gz DPZPRPGIPZJWGL-MRXNPFEDSA-N 1 3 313.461 2.049 20 0 DEADHO C[C@H](C[NH2+]CC1CCCCC1)N(C)C(=O)CN(C)C1CCC1 ZINC001444636347 1183493873 /nfs/dbraw/zinc/49/38/73/1183493873.db2.gz QTDGMPZCNUSKIC-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C/C=C/Cl)C1 ZINC001444811821 1183564907 /nfs/dbraw/zinc/56/49/07/1183564907.db2.gz IZMSQMBWUMOEJF-OSZGCLPASA-N 1 3 315.889 2.297 20 0 DEADHO CC[N@H+](C)CCC(=O)N(C)CCN(C)[C@@H](C)c1ccccc1 ZINC001445066620 1183753103 /nfs/dbraw/zinc/75/31/03/1183753103.db2.gz TYOVLGOKPFXVQK-INIZCTEOSA-N 1 3 305.466 2.480 20 0 DEADHO CC[N@@H+](C)CCC(=O)N(C)CCN(C)[C@@H](C)c1ccccc1 ZINC001445066620 1183753104 /nfs/dbraw/zinc/75/31/04/1183753104.db2.gz TYOVLGOKPFXVQK-INIZCTEOSA-N 1 3 305.466 2.480 20 0 DEADHO C[C@H](C[NH2+]CC1CCC1)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001445436609 1183871688 /nfs/dbraw/zinc/87/16/88/1183871688.db2.gz UUBNSLBONJDYEM-DYVFJYSZSA-N 1 3 313.461 2.093 20 0 DEADHO C[C@@H](CN(C)Cc1ccc(CF)cc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001445870421 1184105433 /nfs/dbraw/zinc/10/54/33/1184105433.db2.gz NBYWJIIRPPRJJT-WMLDXEAASA-N 1 3 321.440 2.044 20 0 DEADHO C[C@@H](CN(C)Cc1ccc(CF)cc1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001445870421 1184105438 /nfs/dbraw/zinc/10/54/38/1184105438.db2.gz NBYWJIIRPPRJJT-WMLDXEAASA-N 1 3 321.440 2.044 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CCN1CC1CCC1)[NH+]1CCCCC1 ZINC001446126405 1184237931 /nfs/dbraw/zinc/23/79/31/1184237931.db2.gz LLKWYJKBPVZURZ-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C/C=C\Cl)C2 ZINC001446921618 1184578907 /nfs/dbraw/zinc/57/89/07/1184578907.db2.gz GZNUMDCKCOMWJE-SKRFXGAOSA-N 1 3 313.873 2.048 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C/C=C\Cl)C2 ZINC001446921618 1184578913 /nfs/dbraw/zinc/57/89/13/1184578913.db2.gz GZNUMDCKCOMWJE-SKRFXGAOSA-N 1 3 313.873 2.048 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)CCC[N@H+](C)CCCF ZINC001447370925 1184747369 /nfs/dbraw/zinc/74/73/69/1184747369.db2.gz AGFNFFBSFGDDRP-HNNXBMFYSA-N 1 3 301.450 2.001 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)CCC[N@@H+](C)CCCF ZINC001447370925 1184747374 /nfs/dbraw/zinc/74/73/74/1184747374.db2.gz AGFNFFBSFGDDRP-HNNXBMFYSA-N 1 3 301.450 2.001 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCN2CCCC(C)(C)C2)C1 ZINC001448507218 1185264069 /nfs/dbraw/zinc/26/40/69/1185264069.db2.gz GPENVNJEELLDOA-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1C[C@H](NCc2ccsc2)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001449027056 1185496152 /nfs/dbraw/zinc/49/61/52/1185496152.db2.gz NKLXOFVDCDGPRO-HIFRSBDPSA-N 1 3 321.490 2.169 20 0 DEADHO [NH3+]C1CC2(C1)CCN(c1ccc(CN3CCCC3)cn1)CC2 ZINC001164387238 718802345 /nfs/dbraw/zinc/80/23/45/718802345.db2.gz KEQKEXOAPWTRAQ-UHFFFAOYSA-N 1 3 300.450 2.385 20 0 DEADHO CN(C)c1cc[nH+]c(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)c1 ZINC001164731060 720380530 /nfs/dbraw/zinc/38/05/30/720380530.db2.gz YRIUFQRTDWWHFF-QZTJIDSGSA-N 1 3 323.444 2.396 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc(C)c2)C1)N(C)C ZINC001370494762 1149799312 /nfs/dbraw/zinc/79/93/12/1149799312.db2.gz WLOAUDDAOACOMW-RBSFLKMASA-N 1 3 309.479 2.134 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(CF)cc2)C1)N(C)C ZINC001370679909 1149827301 /nfs/dbraw/zinc/82/73/01/1149827301.db2.gz RGISXRWXDJFKRW-BBWFWOEESA-N 1 3 321.440 2.233 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@H]1C[N@H+](C)CC1CC1 ZINC001089226780 782294399 /nfs/dbraw/zinc/29/43/99/782294399.db2.gz LTPVQZUASURNNC-RDJZCZTQSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CC1 ZINC001089226780 782294406 /nfs/dbraw/zinc/29/44/06/782294406.db2.gz LTPVQZUASURNNC-RDJZCZTQSA-N 1 3 307.482 2.194 20 0 DEADHO CC[C@H](F)C[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001408012650 1165433609 /nfs/dbraw/zinc/43/36/09/1165433609.db2.gz WJISWOYAAQKDGE-LSDHHAIUSA-N 1 3 313.461 2.190 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001408078556 1165466829 /nfs/dbraw/zinc/46/68/29/1165466829.db2.gz VLUKNVBRLJLQLD-IIQYJXCPSA-N 1 3 313.873 2.194 20 0 DEADHO CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249310 782570236 /nfs/dbraw/zinc/57/02/36/782570236.db2.gz GFJPLBAABIGGPQ-ZTFGCOKTSA-N 1 3 323.525 2.447 20 0 DEADHO CCCCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001106665022 782839959 /nfs/dbraw/zinc/83/99/59/782839959.db2.gz FRIUZVMQGKUTGX-BRWVUGGUSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC2=CC[N@H+](CC3CCCC3)CC2)C1 ZINC001333398564 1150045122 /nfs/dbraw/zinc/04/51/22/1150045122.db2.gz BGEWRKXNOTZEFH-INIZCTEOSA-N 1 3 319.493 2.267 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC2=CC[N@@H+](CC3CCCC3)CC2)C1 ZINC001333398564 1150045127 /nfs/dbraw/zinc/04/51/27/1150045127.db2.gz BGEWRKXNOTZEFH-INIZCTEOSA-N 1 3 319.493 2.267 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CCCCCF)[C@H](C)C1 ZINC001106783730 782932794 /nfs/dbraw/zinc/93/27/94/782932794.db2.gz VROCMOBNCNBCRY-HZPDHXFCSA-N 1 3 315.477 2.152 20 0 DEADHO CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001106785189 782934552 /nfs/dbraw/zinc/93/45/52/782934552.db2.gz ZKZCOLKDWBHSKZ-NVXWUHKLSA-N 1 3 311.514 2.449 20 0 DEADHO C[C@@H]([NH2+]CCCNC(=O)CN(C)C1CCC1)c1ccccc1F ZINC001160003246 790368004 /nfs/dbraw/zinc/36/80/04/790368004.db2.gz FLZMAKJWVIDPJM-CQSZACIVSA-N 1 3 321.440 2.467 20 0 DEADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1C[NH2+]CC1CC1 ZINC001075332876 776553216 /nfs/dbraw/zinc/55/32/16/776553216.db2.gz ISUOUIFAGUXVFY-DOTOQJQBSA-N 1 3 321.509 2.203 20 0 DEADHO NCc1nn(-c2ccccc2Cn2cc[nH+]c2N)c2ccccc12 ZINC001167700390 777896455 /nfs/dbraw/zinc/89/64/55/777896455.db2.gz GFBFVIUHCPSYHP-UHFFFAOYSA-N 1 3 318.384 2.311 20 0 DEADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]CC1CCCC1 ZINC001104729421 778050379 /nfs/dbraw/zinc/05/03/79/778050379.db2.gz VRNJYTQVRWNEFS-GDBMZVCRSA-N 1 3 318.465 2.217 20 0 DEADHO CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104729637 778050534 /nfs/dbraw/zinc/05/05/34/778050534.db2.gz YDXCVWADCUTREG-FZZYSBJUSA-N 1 3 318.465 2.383 20 0 DEADHO CCN(CC)CC(=O)NCC1CC([NH2+]CC2CC3(CCC3)C2)C1 ZINC001100770716 778145698 /nfs/dbraw/zinc/14/56/98/778145698.db2.gz LJUCNYMULNAGSZ-UHFFFAOYSA-N 1 3 321.509 2.393 20 0 DEADHO CCCCC[NH2+]CC1(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001167900483 778762802 /nfs/dbraw/zinc/76/28/02/778762802.db2.gz JPQGDISOHZVTOV-UHFFFAOYSA-N 1 3 306.454 2.327 20 0 DEADHO CC(C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1ccccc1 ZINC001211729577 778789555 /nfs/dbraw/zinc/78/95/55/778789555.db2.gz CXYVDPYLJMZNNW-ZWKOTPCHSA-N 1 3 317.477 2.319 20 0 DEADHO N=C(Nc1cc(Br)cc2cncn21)SCC[NH3+] ZINC001167916390 778833940 /nfs/dbraw/zinc/83/39/40/778833940.db2.gz SMGMTRAOCBTBLR-UHFFFAOYSA-N 1 3 314.212 2.135 20 0 DEADHO C[C@@H]1C[C@@H](NCCn2ccnn2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168007737 779280636 /nfs/dbraw/zinc/28/06/36/779280636.db2.gz UGABIZBUIOYSAF-ALXJQNPVSA-N 1 3 313.449 2.309 20 0 DEADHO C[C@@H]1C[C@@H](NCCn2ccnn2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168007737 779280641 /nfs/dbraw/zinc/28/06/41/779280641.db2.gz UGABIZBUIOYSAF-ALXJQNPVSA-N 1 3 313.449 2.309 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)CC[C@@H]2C1 ZINC001088212837 779775538 /nfs/dbraw/zinc/77/55/38/779775538.db2.gz URNJJKSDWQZXOQ-SQNIBIBYSA-N 1 3 319.493 2.051 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC3CC3)CC[C@@H]2C1 ZINC001088212837 779775544 /nfs/dbraw/zinc/77/55/44/779775544.db2.gz URNJJKSDWQZXOQ-SQNIBIBYSA-N 1 3 319.493 2.051 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC(N(C)CCF)CC2)C1 ZINC000985593721 779943774 /nfs/dbraw/zinc/94/37/74/779943774.db2.gz OGSJTANACCSBLO-OAHLLOKOSA-N 1 3 313.461 2.001 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCC(N(C)CCF)CC2)C1 ZINC000985593721 779943780 /nfs/dbraw/zinc/94/37/80/779943780.db2.gz OGSJTANACCSBLO-OAHLLOKOSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccccn3)CC2)CCO1 ZINC001168091955 779999838 /nfs/dbraw/zinc/99/98/38/779999838.db2.gz CURLZNVJLFYWBC-WBVHZDCISA-N 1 3 303.450 2.451 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCF)C1 ZINC001088431468 780119501 /nfs/dbraw/zinc/11/95/01/780119501.db2.gz WPTOFGNAVHRFKA-HOTGVXAUSA-N 1 3 313.461 2.191 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(C)C)CC1 ZINC001168335696 780852717 /nfs/dbraw/zinc/85/27/17/780852717.db2.gz QFRCVNJESKXYQH-MRXNPFEDSA-N 1 3 309.498 2.393 20 0 DEADHO Cc1cccc(C[NH2+]C2CC(CNC(=O)CN(C)C(C)C)C2)c1 ZINC001101035777 780953174 /nfs/dbraw/zinc/95/31/74/780953174.db2.gz ABHDNJWVXQOSFQ-UHFFFAOYSA-N 1 3 317.477 2.320 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)CC[N@@H+]1CCC1CC1 ZINC001088768854 780968911 /nfs/dbraw/zinc/96/89/11/780968911.db2.gz HLWIMHBXVWIYCM-FHLIZLRMSA-N 1 3 319.493 2.240 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)CC[N@H+]1CCC1CC1 ZINC001088768854 780968917 /nfs/dbraw/zinc/96/89/17/780968917.db2.gz HLWIMHBXVWIYCM-FHLIZLRMSA-N 1 3 319.493 2.240 20 0 DEADHO C[C@H](F)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@H]1C ZINC001088791859 780992299 /nfs/dbraw/zinc/99/22/99/780992299.db2.gz GZHPHYIRJWJKBE-ZNMIVQPWSA-N 1 3 313.461 2.188 20 0 DEADHO C[C@H](F)CC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@H]1C ZINC001088791859 780992304 /nfs/dbraw/zinc/99/23/04/780992304.db2.gz GZHPHYIRJWJKBE-ZNMIVQPWSA-N 1 3 313.461 2.188 20 0 DEADHO CC(C)CC(=O)NC1CC[NH+](C2CCN(CC3CC3)CC2)CC1 ZINC001168393192 781785632 /nfs/dbraw/zinc/78/56/32/781785632.db2.gz ZCPUKMNIGUOLMI-UHFFFAOYSA-N 1 3 321.509 2.488 20 0 DEADHO CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC000948066027 783307654 /nfs/dbraw/zinc/30/76/54/783307654.db2.gz MADZONKIOQNVSV-ZBFHGGJFSA-N 1 3 303.450 2.351 20 0 DEADHO CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC000948066027 783307664 /nfs/dbraw/zinc/30/76/64/783307664.db2.gz MADZONKIOQNVSV-ZBFHGGJFSA-N 1 3 303.450 2.351 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCN1C(C)C ZINC001085589785 783865743 /nfs/dbraw/zinc/86/57/43/783865743.db2.gz VCFVJMPCBWWWBO-IAGOWNOFSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCN1C(C)C ZINC001085589785 783865751 /nfs/dbraw/zinc/86/57/51/783865751.db2.gz VCFVJMPCBWWWBO-IAGOWNOFSA-N 1 3 309.498 2.438 20 0 DEADHO CC1CC(CN2CC[C@@H]2CN(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001085695312 783973491 /nfs/dbraw/zinc/97/34/91/783973491.db2.gz GJYUMKLSVQQANJ-OFLPRAFFSA-N 1 3 319.493 2.194 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CC2)C1 ZINC001086102141 784410172 /nfs/dbraw/zinc/41/01/72/784410172.db2.gz LAJZLFGKWBFGRR-BBWFWOEESA-N 1 3 307.482 2.145 20 0 DEADHO CCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCCCCC1 ZINC001114922246 784489824 /nfs/dbraw/zinc/48/98/24/784489824.db2.gz VQNPUDRANJTBKG-WNRNVDISSA-N 1 3 321.509 2.488 20 0 DEADHO CCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCCCCC1 ZINC001114922246 784489830 /nfs/dbraw/zinc/48/98/30/784489830.db2.gz VQNPUDRANJTBKG-WNRNVDISSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCCNCc2cccc(F)c2)C1 ZINC001129328244 784524994 /nfs/dbraw/zinc/52/49/94/784524994.db2.gz NTNQBCWOMUJEHV-INIZCTEOSA-N 1 3 321.440 2.009 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCCNCc2cccc(F)c2)C1 ZINC001129328244 784525001 /nfs/dbraw/zinc/52/50/01/784525001.db2.gz NTNQBCWOMUJEHV-INIZCTEOSA-N 1 3 321.440 2.009 20 0 DEADHO CC1CCC(C[NH2+][C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC000968907008 784646168 /nfs/dbraw/zinc/64/61/68/784646168.db2.gz AVUPKENFECAAKK-OFLPRAFFSA-N 1 3 321.509 2.488 20 0 DEADHO CN(CC(=O)N1CC[C@@H]([NH2+]CC2CCCCC2)C1)C1CCC1 ZINC000968921797 784652156 /nfs/dbraw/zinc/65/21/56/784652156.db2.gz JXKYXDLSWJDWAX-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)cc2C)C1)N(C)C ZINC000969074470 784716955 /nfs/dbraw/zinc/71/69/55/784716955.db2.gz FOZCSYRSEWKQGK-IAGOWNOFSA-N 1 3 321.440 2.165 20 0 DEADHO CC(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001086497245 784795127 /nfs/dbraw/zinc/79/51/27/784795127.db2.gz DGYNRIOTLRBBGY-ULQDDVLXSA-N 1 3 309.498 2.390 20 0 DEADHO C[C@H]1C[C@H](NCC[C@H]2CCC[N@@H+]2C)CN1C(=O)OC(C)(C)C ZINC001168830248 784932523 /nfs/dbraw/zinc/93/25/23/784932523.db2.gz RJGNCYBIBNKHLY-SOUVJXGZSA-N 1 3 311.470 2.458 20 0 DEADHO C[C@H]1C[C@H](NCC[C@H]2CCC[N@H+]2C)CN1C(=O)OC(C)(C)C ZINC001168830248 784932529 /nfs/dbraw/zinc/93/25/29/784932529.db2.gz RJGNCYBIBNKHLY-SOUVJXGZSA-N 1 3 311.470 2.458 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CC[C@H]2CCCN2C)CN1C(=O)OC(C)(C)C ZINC001168830248 784932537 /nfs/dbraw/zinc/93/25/37/784932537.db2.gz RJGNCYBIBNKHLY-SOUVJXGZSA-N 1 3 311.470 2.458 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CC2CC2)C1 ZINC001091267456 791074243 /nfs/dbraw/zinc/07/42/43/791074243.db2.gz LQKLLDWDJNDFCS-OFLPRAFFSA-N 1 3 307.482 2.144 20 0 DEADHO CC[NH+]1C[C@@H]2CN([C@@H]3C[C@H](C)N(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC001168879328 784955050 /nfs/dbraw/zinc/95/50/50/784955050.db2.gz HAMRCJOONMCZNI-ZJIFWQFVSA-N 1 3 323.481 2.268 20 0 DEADHO NCc1cccc(-n2c3cc(Cl)ccc3nc2CCC[NH3+])n1 ZINC001168999962 784997757 /nfs/dbraw/zinc/99/77/57/784997757.db2.gz RAQJYHOUOMBIDI-UHFFFAOYSA-N 1 3 315.808 2.424 20 0 DEADHO COCC1(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)Cc2ccccc2C1 ZINC001169123410 785043454 /nfs/dbraw/zinc/04/34/54/785043454.db2.gz KZVDITHGTLSFHK-NNZMDNLPSA-N 1 3 300.446 2.385 20 0 DEADHO COCC1(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)Cc2ccccc2C1 ZINC001169123410 785043462 /nfs/dbraw/zinc/04/34/62/785043462.db2.gz KZVDITHGTLSFHK-NNZMDNLPSA-N 1 3 300.446 2.385 20 0 DEADHO CCc1noc(C2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)N4C)CC2)n1 ZINC001169142168 785062295 /nfs/dbraw/zinc/06/22/95/785062295.db2.gz AHJULTJAEUWQOP-FICVDOATSA-N 1 3 304.438 2.437 20 0 DEADHO COc1ccnc(O[C@@H]2CC[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)N4C)C2)c1 ZINC001169153204 785067924 /nfs/dbraw/zinc/06/79/24/785067924.db2.gz GTXZRRKLAIDFMR-WBTNSWJXSA-N 1 3 317.433 2.169 20 0 DEADHO COc1ccnc(O[C@@H]2CC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)N4C)C2)c1 ZINC001169153204 785067930 /nfs/dbraw/zinc/06/79/30/785067930.db2.gz GTXZRRKLAIDFMR-WBTNSWJXSA-N 1 3 317.433 2.169 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC(NC(=O)C(C)(C)C)CC1)C2 ZINC001169155084 785068961 /nfs/dbraw/zinc/06/89/61/785068961.db2.gz XOWFHPNKVZNMKK-MUJYYYPQSA-N 1 3 307.482 2.238 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC(NC(=O)C(C)(C)C)CC1)C2 ZINC001169155084 785068968 /nfs/dbraw/zinc/06/89/68/785068968.db2.gz XOWFHPNKVZNMKK-MUJYYYPQSA-N 1 3 307.482 2.238 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001008051993 785089874 /nfs/dbraw/zinc/08/98/74/785089874.db2.gz JDWQGCXMWBODGP-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001008051993 785089880 /nfs/dbraw/zinc/08/98/80/785089880.db2.gz JDWQGCXMWBODGP-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN1CCC[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001008505667 785224145 /nfs/dbraw/zinc/22/41/45/785224145.db2.gz BRXBQXXPIVLTDV-PBHICJAKSA-N 1 3 313.461 2.190 20 0 DEADHO CCCN1CCC[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001008505667 785224151 /nfs/dbraw/zinc/22/41/51/785224151.db2.gz BRXBQXXPIVLTDV-PBHICJAKSA-N 1 3 313.461 2.190 20 0 DEADHO CCOC(=O)N1CCC[C@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)CC1 ZINC001169664684 785294054 /nfs/dbraw/zinc/29/40/54/785294054.db2.gz QIVGUDWHCVZNQJ-XHSDSOJGSA-N 1 3 311.470 2.460 20 0 DEADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169730581 785341032 /nfs/dbraw/zinc/34/10/32/785341032.db2.gz NOZUHDHFHAXHMA-QZTJIDSGSA-N 1 3 315.461 2.365 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCN[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169730581 785341035 /nfs/dbraw/zinc/34/10/35/785341035.db2.gz NOZUHDHFHAXHMA-QZTJIDSGSA-N 1 3 315.461 2.365 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCN[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169730581 785341048 /nfs/dbraw/zinc/34/10/48/785341048.db2.gz NOZUHDHFHAXHMA-QZTJIDSGSA-N 1 3 315.461 2.365 20 0 DEADHO CN1CCC[C@H]1CC[NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169730582 785341093 /nfs/dbraw/zinc/34/10/93/785341093.db2.gz NOZUHDHFHAXHMA-ROUUACIJSA-N 1 3 315.461 2.365 20 0 DEADHO C[N@@H+]1CCC[C@H]1CCN[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169730582 785341104 /nfs/dbraw/zinc/34/11/04/785341104.db2.gz NOZUHDHFHAXHMA-ROUUACIJSA-N 1 3 315.461 2.365 20 0 DEADHO C[N@H+]1CCC[C@H]1CCN[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169730582 785341112 /nfs/dbraw/zinc/34/11/12/785341112.db2.gz NOZUHDHFHAXHMA-ROUUACIJSA-N 1 3 315.461 2.365 20 0 DEADHO CCCc1ccc(C[NH2+]CCNC(=O)C2(N(C)C)CCC2)cc1 ZINC001129356135 785491192 /nfs/dbraw/zinc/49/11/92/785491192.db2.gz BWMMGUDULHVLCJ-UHFFFAOYSA-N 1 3 317.477 2.329 20 0 DEADHO CC[C@@H]([NH2+]CCNC(=O)C1(N(C)C)CCC1)c1ccccc1 ZINC001129363471 785536333 /nfs/dbraw/zinc/53/63/33/785536333.db2.gz GPRKDAQDCPAVEE-MRXNPFEDSA-N 1 3 303.450 2.328 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1)N(C)C ZINC001109427059 785869044 /nfs/dbraw/zinc/86/90/44/785869044.db2.gz MBTJANJDNHPRBC-OWSLCNJRSA-N 1 3 321.509 2.484 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1)N(C)C ZINC001109427059 785869050 /nfs/dbraw/zinc/86/90/50/785869050.db2.gz MBTJANJDNHPRBC-OWSLCNJRSA-N 1 3 321.509 2.484 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCF)[NH+](CC)CC ZINC001109714770 785994936 /nfs/dbraw/zinc/99/49/36/785994936.db2.gz VYDRXHJKAMIOOV-UGUYLWEFSA-N 1 3 313.461 2.188 20 0 DEADHO C[NH+](C)CCCCC(=O)N1CCN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001113561460 786692327 /nfs/dbraw/zinc/69/23/27/786692327.db2.gz CNDDGRXLDQRDLH-KURKYZTESA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)=CCN1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001014707529 786716294 /nfs/dbraw/zinc/71/62/94/786716294.db2.gz UGZUEFWVTXFDLF-IAGOWNOFSA-N 1 3 307.482 2.121 20 0 DEADHO CC(C)=CCN1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001014707529 786716300 /nfs/dbraw/zinc/71/63/00/786716300.db2.gz UGZUEFWVTXFDLF-IAGOWNOFSA-N 1 3 307.482 2.121 20 0 DEADHO CC(C)(C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)N1CCCC1 ZINC001015500758 787083780 /nfs/dbraw/zinc/08/37/80/787083780.db2.gz XEHQBQLUIJXQQE-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)(C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)N1CCCC1 ZINC001015500758 787083794 /nfs/dbraw/zinc/08/37/94/787083794.db2.gz XEHQBQLUIJXQQE-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCNCc1ccsc1 ZINC001129423340 787209585 /nfs/dbraw/zinc/20/95/85/787209585.db2.gz SPPXPLPZVCKEHS-OAHLLOKOSA-N 1 3 309.479 2.217 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCNCc1ccsc1 ZINC001129423340 787209588 /nfs/dbraw/zinc/20/95/88/787209588.db2.gz SPPXPLPZVCKEHS-OAHLLOKOSA-N 1 3 309.479 2.217 20 0 DEADHO C[C@@H]([NH2+]CCNC(=O)[C@H](C1CC1)N(C)C)c1cccc(Cl)c1 ZINC001129437353 787213542 /nfs/dbraw/zinc/21/35/42/787213542.db2.gz ZFMPNNBZKUJYBG-WBMJQRKESA-N 1 3 323.868 2.447 20 0 DEADHO CCc1cccc(C[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001129947255 787265110 /nfs/dbraw/zinc/26/51/10/787265110.db2.gz QWTARRNKTXIYIF-KRWDZBQOSA-N 1 3 305.466 2.041 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+][C@H](C)c1cc(C)ccc1C)N(C)C ZINC001130204905 787313748 /nfs/dbraw/zinc/31/37/48/787313748.db2.gz CSEYLCRKFHWAMG-NVXWUHKLSA-N 1 3 305.466 2.410 20 0 DEADHO CC[N@H+](C)C(C)(C)C(=O)NCCN[C@H](C)c1ccccc1F ZINC001130421692 787387131 /nfs/dbraw/zinc/38/71/31/787387131.db2.gz GCXWDPCDTUKZEW-CYBMUJFWSA-N 1 3 309.429 2.323 20 0 DEADHO CC[N@@H+](C)C(C)(C)C(=O)NCCN[C@H](C)c1ccccc1F ZINC001130421692 787387144 /nfs/dbraw/zinc/38/71/44/787387144.db2.gz GCXWDPCDTUKZEW-CYBMUJFWSA-N 1 3 309.429 2.323 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CCCc1cccc(C)c1 ZINC001130425391 787387549 /nfs/dbraw/zinc/38/75/49/787387549.db2.gz XIMQTHBUZYMIKJ-UHFFFAOYSA-N 1 3 319.493 2.364 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC[NH2+][C@@H](C)c1cccc(OC)c1 ZINC001130428025 787389612 /nfs/dbraw/zinc/38/96/12/787389612.db2.gz ZMORGFANCHEBBY-AWEZNQCLSA-N 1 3 321.465 2.192 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]Cc1cc(C)ccc1C ZINC001130419083 787393449 /nfs/dbraw/zinc/39/34/49/787393449.db2.gz KLIAMADPUMFREE-UHFFFAOYSA-N 1 3 305.466 2.240 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2CCC2)C1 ZINC001132153061 787947015 /nfs/dbraw/zinc/94/70/15/787947015.db2.gz MYYWTQQJVPKIQF-GOEBONIOSA-N 1 3 309.498 2.486 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC2CCC2)C1 ZINC001132153061 787947024 /nfs/dbraw/zinc/94/70/24/787947024.db2.gz MYYWTQQJVPKIQF-GOEBONIOSA-N 1 3 309.498 2.486 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCNCc2ccc(F)cc2)C1 ZINC001132737844 788179275 /nfs/dbraw/zinc/17/92/75/788179275.db2.gz RPHOXTJYFQSUCX-MRXNPFEDSA-N 1 3 321.440 2.154 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCNCc2ccc(F)cc2)C1 ZINC001132737844 788179279 /nfs/dbraw/zinc/17/92/79/788179279.db2.gz RPHOXTJYFQSUCX-MRXNPFEDSA-N 1 3 321.440 2.154 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CC2CCCC2)C1 ZINC001000193406 788336301 /nfs/dbraw/zinc/33/63/01/788336301.db2.gz PZGLGPQZKLZGQJ-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC2CCC2)C1 ZINC001133345375 788375961 /nfs/dbraw/zinc/37/59/61/788375961.db2.gz BHDKTAFMSKLJMF-NVXWUHKLSA-N 1 3 309.498 2.201 20 0 DEADHO CCCc1ccc(C[NH2+]CCNC(=O)CN2CCC[C@H]2C)cc1 ZINC001133819707 788618284 /nfs/dbraw/zinc/61/82/84/788618284.db2.gz MELILYZPEWHMTO-MRXNPFEDSA-N 1 3 317.477 2.329 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]CC[C@H]1CCCC1(F)F ZINC001133823399 788619847 /nfs/dbraw/zinc/61/98/47/788619847.db2.gz FJXQXHIJMHFBSE-ZIAGYGMSSA-N 1 3 317.424 2.002 20 0 DEADHO Cc1cc(C)c(C[NH2+]CCNC(=O)CN2CCC[C@@H]2C)c(C)c1 ZINC001133831922 788627320 /nfs/dbraw/zinc/62/73/20/788627320.db2.gz XKAVNEARZYBERR-KRWDZBQOSA-N 1 3 317.477 2.302 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001133834073 788628901 /nfs/dbraw/zinc/62/89/01/788628901.db2.gz NCPPSNHCDHJQAX-SUMWQHHRSA-N 1 3 319.424 2.003 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001133824114 788629589 /nfs/dbraw/zinc/62/95/89/788629589.db2.gz XYULAGQPBYNZJB-HNNXBMFYSA-N 1 3 315.461 2.254 20 0 DEADHO Cc1cc(C)c(C[NH2+]CCNC(=O)CN2CC[C@H](C)C2)c(C)c1 ZINC001133851249 788632700 /nfs/dbraw/zinc/63/27/00/788632700.db2.gz ZXNWPNGLUDOXJD-AWEZNQCLSA-N 1 3 317.477 2.159 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+]Cc1ccc(CC(C)C)cc1)N(C)C ZINC001133965622 788695317 /nfs/dbraw/zinc/69/53/17/788695317.db2.gz BTDOFTXSFMDTPI-SFHVURJKSA-N 1 3 319.493 2.431 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+]Cc1ccc(C(C)C)cc1)N(C)C ZINC001133983071 788705218 /nfs/dbraw/zinc/70/52/18/788705218.db2.gz XUEXHKCQILZQNK-KRWDZBQOSA-N 1 3 305.466 2.356 20 0 DEADHO CN1CCN(Cc2ccccc2C[NH2+][C@@H]2CCCOCC2)CC1 ZINC001170775365 789112889 /nfs/dbraw/zinc/11/28/89/789112889.db2.gz LBHQKZQVOMOWAS-LJQANCHMSA-N 1 3 317.477 2.093 20 0 DEADHO O=C(NCCNCc1ccc(F)cc1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135092712 789200779 /nfs/dbraw/zinc/20/07/79/789200779.db2.gz CGODQVJUDHLEHJ-IAGOWNOFSA-N 1 3 319.424 2.048 20 0 DEADHO O=C(NCCNCc1ccc(F)cc1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135092712 789200785 /nfs/dbraw/zinc/20/07/85/789200785.db2.gz CGODQVJUDHLEHJ-IAGOWNOFSA-N 1 3 319.424 2.048 20 0 DEADHO CCCCCCN(C)CC(=O)NCC[NH2+]CCCCCF ZINC001135437844 789342846 /nfs/dbraw/zinc/34/28/46/789342846.db2.gz YVFLBNQZSFOHCO-UHFFFAOYSA-N 1 3 303.466 2.344 20 0 DEADHO C[C@H](C[C@H](C)NC(=O)CN1CCC(C)(C)C1)[NH2+]CCC1CC1 ZINC001135477119 789364626 /nfs/dbraw/zinc/36/46/26/789364626.db2.gz QXOGDCGREYGITQ-CABCVRRESA-N 1 3 309.498 2.391 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC001135511616 789380292 /nfs/dbraw/zinc/38/02/92/789380292.db2.gz VVVMPUVIIDZNHD-INIZCTEOSA-N 1 3 323.868 2.375 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCCCOC ZINC001135705320 789460083 /nfs/dbraw/zinc/46/00/83/789460083.db2.gz AEFBQFNSHSHNTM-HOTGVXAUSA-N 1 3 315.502 2.018 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cncc(C)c1 ZINC001135743377 789475643 /nfs/dbraw/zinc/47/56/43/789475643.db2.gz JJMFBDFVWYQGOE-HZPDHXFCSA-N 1 3 320.481 2.105 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC(F)(F)F ZINC001135979124 789581707 /nfs/dbraw/zinc/58/17/07/789581707.db2.gz CMTFJYOJYSWEDS-NWDGAFQWSA-N 1 3 311.392 2.154 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1c(C)noc1C ZINC001135976516 789586754 /nfs/dbraw/zinc/58/67/54/789586754.db2.gz KTIORRZGJXQKPI-QWHCGFSZSA-N 1 3 324.469 2.006 20 0 DEADHO CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@@H]1C ZINC001072288668 790106792 /nfs/dbraw/zinc/10/67/92/790106792.db2.gz OWCGVSSCIHNYCA-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](CCCC[NH2+]C/C=C\Cl)NC(=O)CN(C)C1CCC1 ZINC001171261640 791180470 /nfs/dbraw/zinc/18/04/70/791180470.db2.gz XLHTWPCPZGJUMF-APFBBLRHSA-N 1 3 315.889 2.488 20 0 DEADHO C[C@@H](CCCC[NH2+]C/C=C/Cl)NC(=O)CN(C)C1CCC1 ZINC001171261643 791180617 /nfs/dbraw/zinc/18/06/17/791180617.db2.gz XLHTWPCPZGJUMF-XYYIANASSA-N 1 3 315.889 2.488 20 0 DEADHO Cc1ncccc1C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146591367 791318066 /nfs/dbraw/zinc/31/80/66/791318066.db2.gz GIJGEYIBGAZLGW-GJZGRUSLSA-N 1 3 320.481 2.103 20 0 DEADHO Cc1noc(C)c1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146595006 791320206 /nfs/dbraw/zinc/32/02/06/791320206.db2.gz WEPDENJUXFOJDT-QWHCGFSZSA-N 1 3 324.469 2.005 20 0 DEADHO CCCCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146600831 791321569 /nfs/dbraw/zinc/32/15/69/791321569.db2.gz IORXXTJEWAPPIU-HOTGVXAUSA-N 1 3 315.502 2.016 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CC3CC(C)(C)C3)[C@@H]2C)C1 ZINC001074878244 791363889 /nfs/dbraw/zinc/36/38/89/791363889.db2.gz IXZNIPQJCQWYQR-VYDXJSESSA-N 1 3 321.509 2.343 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCNC[C@@H](F)CC ZINC001147357938 791516166 /nfs/dbraw/zinc/51/61/66/791516166.db2.gz ABXWUKNXJGVLHS-LSDHHAIUSA-N 1 3 301.450 2.095 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCNC[C@@H](F)CC ZINC001147357938 791516172 /nfs/dbraw/zinc/51/61/72/791516172.db2.gz ABXWUKNXJGVLHS-LSDHHAIUSA-N 1 3 301.450 2.095 20 0 DEADHO CC(C)CCC[N@@H+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001147732124 791599626 /nfs/dbraw/zinc/59/96/26/791599626.db2.gz YLIZTQVTGPRZGH-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)CCC[N@H+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001147732124 791599635 /nfs/dbraw/zinc/59/96/35/791599635.db2.gz YLIZTQVTGPRZGH-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](CCCCCF)C2)N(C)C ZINC001148292880 791731368 /nfs/dbraw/zinc/73/13/68/791731368.db2.gz YEOKFMGIQDTAFF-HNNXBMFYSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CCCCCF)C2)N(C)C ZINC001148292880 791731371 /nfs/dbraw/zinc/73/13/71/791731371.db2.gz YEOKFMGIQDTAFF-HNNXBMFYSA-N 1 3 313.461 2.001 20 0 DEADHO CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001086945598 791858281 /nfs/dbraw/zinc/85/82/81/791858281.db2.gz FPHHETSECGGDAQ-CQSZACIVSA-N 1 3 304.438 2.065 20 0 DEADHO CC(C)=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001091985494 791913106 /nfs/dbraw/zinc/91/31/06/791913106.db2.gz VCPIKNGSVHOYOE-LMMKCTJWSA-N 1 3 321.509 2.319 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001091985494 791913109 /nfs/dbraw/zinc/91/31/09/791913109.db2.gz VCPIKNGSVHOYOE-LMMKCTJWSA-N 1 3 321.509 2.319 20 0 DEADHO CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CC=C(C)C)C[C@@]2(C)C1)N(C)C ZINC001092021868 791923882 /nfs/dbraw/zinc/92/38/82/791923882.db2.gz KURGWJODVQFSML-RYRKJORJSA-N 1 3 307.482 2.073 20 0 DEADHO CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC=C(C)C)C[C@@]2(C)C1)N(C)C ZINC001092021868 791923885 /nfs/dbraw/zinc/92/38/85/791923885.db2.gz KURGWJODVQFSML-RYRKJORJSA-N 1 3 307.482 2.073 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(C)C)C[C@H]1C ZINC001092658178 792103427 /nfs/dbraw/zinc/10/34/27/792103427.db2.gz KIBIEHRBUXZBCJ-ZACQAIPSSA-N 1 3 309.498 2.201 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(C)C)C[C@H]1C ZINC001092658178 792103433 /nfs/dbraw/zinc/10/34/33/792103433.db2.gz KIBIEHRBUXZBCJ-ZACQAIPSSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)N1CCN(CC[NH2+][C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171404022 792305728 /nfs/dbraw/zinc/30/57/28/792305728.db2.gz FAOKBJHQHDMPRK-KRWDZBQOSA-N 1 3 319.468 2.299 20 0 DEADHO CC[C@@H](C(=O)N1CCC([C@H]2[N@H+](CC)CC23CCC3)CC1)N(C)C ZINC001093380314 792351461 /nfs/dbraw/zinc/35/14/61/792351461.db2.gz XATAJYGSUGPVJL-DLBZAZTESA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CCC([C@H]2[N@@H+](CC)CC23CCC3)CC1)N(C)C ZINC001093380314 792351473 /nfs/dbraw/zinc/35/14/73/792351473.db2.gz XATAJYGSUGPVJL-DLBZAZTESA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1CC([NH2+]CCC(F)(F)F)C1)N(C)C ZINC001100426736 792643349 /nfs/dbraw/zinc/64/33/49/792643349.db2.gz YHDFUGGYJRVDHY-BPCQOVAHSA-N 1 3 323.403 2.009 20 0 DEADHO CCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@]2(C)C1 ZINC001101365684 793134076 /nfs/dbraw/zinc/13/40/76/793134076.db2.gz FAQIGGJTWRXJNO-RYRKJORJSA-N 1 3 309.498 2.297 20 0 DEADHO CCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@]2(C)C1 ZINC001101365684 793134077 /nfs/dbraw/zinc/13/40/77/793134077.db2.gz FAQIGGJTWRXJNO-RYRKJORJSA-N 1 3 309.498 2.297 20 0 DEADHO CN(C)C(=O)N1CCC([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171626058 793156827 /nfs/dbraw/zinc/15/68/27/793156827.db2.gz UUUVHZLCCRHZMT-UHFFFAOYSA-N 1 3 324.513 2.373 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101477513 793174498 /nfs/dbraw/zinc/17/44/98/793174498.db2.gz YCGCXYKEBNLZBY-KRZVHVFCSA-N 1 3 321.509 2.463 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101477513 793174501 /nfs/dbraw/zinc/17/45/01/793174501.db2.gz YCGCXYKEBNLZBY-KRZVHVFCSA-N 1 3 321.509 2.463 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1c(C)cccc1C ZINC001171757003 793196486 /nfs/dbraw/zinc/19/64/86/793196486.db2.gz DTFDODMEVVGEPB-UHFFFAOYSA-N 1 3 305.466 2.241 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001171762783 793199396 /nfs/dbraw/zinc/19/93/96/793199396.db2.gz KXKARQCMNIMSCR-QGZVFWFLSA-N 1 3 303.450 2.112 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1ccc(Cl)cc1 ZINC001171763155 793199501 /nfs/dbraw/zinc/19/95/01/793199501.db2.gz SSIHJBAWCPOBJH-UHFFFAOYSA-N 1 3 311.857 2.278 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001171769686 793200303 /nfs/dbraw/zinc/20/03/03/793200303.db2.gz DMVKKVWVEGXVMJ-AWEZNQCLSA-N 1 3 309.429 2.324 20 0 DEADHO CC1(C)C[C@@H](NCCn2cncn2)CC[N@@H+]1Cc1ccccc1 ZINC001171972797 793282940 /nfs/dbraw/zinc/28/29/40/793282940.db2.gz SQGVXMIQQCBUCC-KRWDZBQOSA-N 1 3 313.449 2.311 20 0 DEADHO CC1(C)C[C@@H](NCCn2cncn2)CC[N@H+]1Cc1ccccc1 ZINC001171972797 793282948 /nfs/dbraw/zinc/28/29/48/793282948.db2.gz SQGVXMIQQCBUCC-KRWDZBQOSA-N 1 3 313.449 2.311 20 0 DEADHO C=CC(=O)NCCN[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984996 793288884 /nfs/dbraw/zinc/28/88/84/793288884.db2.gz ZPLWYJKMFQXWBE-QGZVFWFLSA-N 1 3 315.461 2.321 20 0 DEADHO C=CC(=O)NCCN[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984996 793288891 /nfs/dbraw/zinc/28/88/91/793288891.db2.gz ZPLWYJKMFQXWBE-QGZVFWFLSA-N 1 3 315.461 2.321 20 0 DEADHO CC1(C)C[C@H](n2[n-]c(=O)nc2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC001171984947 793289100 /nfs/dbraw/zinc/28/91/00/793289100.db2.gz YYVGVSMJKZRJDV-CQSZACIVSA-N 1 3 315.421 2.058 20 0 DEADHO CC1(C)C[C@H](n2[n-]c(=O)nc2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001171984947 793289109 /nfs/dbraw/zinc/28/91/09/793289109.db2.gz YYVGVSMJKZRJDV-CQSZACIVSA-N 1 3 315.421 2.058 20 0 DEADHO CN1C(C)(C)CC([NH2+][C@H]2CCN3C(=O)CC[C@@H]3C2)CC1(C)C ZINC001172156226 793351967 /nfs/dbraw/zinc/35/19/67/793351967.db2.gz OSQDDAMIUAKSGQ-DZGCQCFKSA-N 1 3 307.482 2.381 20 0 DEADHO O=C1CC[C@@H]2C[C@@H]([NH+]3CCC(N4CCCCC4)CC3)CCN12 ZINC001172166781 793358199 /nfs/dbraw/zinc/35/81/99/793358199.db2.gz RHJBMOOBIMLUIO-DLBZAZTESA-N 1 3 305.466 2.090 20 0 DEADHO COC1CC[NH+](C2CCN(C3C[C@H]4CC[C@@H](C3)O4)CC2)CC1 ZINC001172233021 793374517 /nfs/dbraw/zinc/37/45/17/793374517.db2.gz OGMVKXLUKDJNHV-ZNXRZULTSA-N 1 3 308.466 2.272 20 0 DEADHO CCCCCN1CCN(C2CC[NH+](CCCOC)CC2)CC1 ZINC001172254973 793391287 /nfs/dbraw/zinc/39/12/87/793391287.db2.gz FGAJRJQSTLILOL-UHFFFAOYSA-N 1 3 311.514 2.295 20 0 DEADHO CC[C@H](C)OCC[C@@H](C)N(CCC[NH+](C)C)CCC(=O)OC ZINC001172343133 793410537 /nfs/dbraw/zinc/41/05/37/793410537.db2.gz QCOKKIARYXIECO-CVEARBPZSA-N 1 3 316.486 2.397 20 0 DEADHO CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)(C)C1)C2 ZINC001094999554 793566907 /nfs/dbraw/zinc/56/69/07/793566907.db2.gz IEPBJGHVTZEGKE-XHSDSOJGSA-N 1 3 307.482 2.097 20 0 DEADHO CC[NH+](CC)C1CCC(NCc2c(OC)ncnc2OC)CC1 ZINC001173101668 793577648 /nfs/dbraw/zinc/57/76/48/793577648.db2.gz NIFUBNCRSVHOBM-UHFFFAOYSA-N 1 3 322.453 2.236 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1C)N(C)C ZINC001102380802 793596921 /nfs/dbraw/zinc/59/69/21/793596921.db2.gz XNWWDMYEAFVTAL-BMFZPTHFSA-N 1 3 323.506 2.272 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1C)N(C)C ZINC001102380802 793596927 /nfs/dbraw/zinc/59/69/27/793596927.db2.gz XNWWDMYEAFVTAL-BMFZPTHFSA-N 1 3 323.506 2.272 20 0 DEADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1C ZINC001102475665 793626391 /nfs/dbraw/zinc/62/63/91/793626391.db2.gz YRORKGWKMNQKLL-GDBMZVCRSA-N 1 3 323.506 2.274 20 0 DEADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1C ZINC001102475665 793626398 /nfs/dbraw/zinc/62/63/98/793626398.db2.gz YRORKGWKMNQKLL-GDBMZVCRSA-N 1 3 323.506 2.274 20 0 DEADHO CCSC[C@H](C)N1CCN(CCC[NH+](CC)CC)CC1 ZINC001173306805 793671885 /nfs/dbraw/zinc/67/18/85/793671885.db2.gz YGZFLXDFEFGWBB-INIZCTEOSA-N 1 3 301.544 2.478 20 0 DEADHO CCN1CC[C@@H]([N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)C1 ZINC001173365581 793705001 /nfs/dbraw/zinc/70/50/01/793705001.db2.gz LDMXUURYXGKXSK-GOSISDBHSA-N 1 3 305.441 2.428 20 0 DEADHO CCN1CC[C@@H]([N@H+]2CCCN(Cc3ccc(F)cc3)CC2)C1 ZINC001173365581 793705006 /nfs/dbraw/zinc/70/50/06/793705006.db2.gz LDMXUURYXGKXSK-GOSISDBHSA-N 1 3 305.441 2.428 20 0 DEADHO NCCC[N@H+](C1CCCCC1)[C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173736047 793827461 /nfs/dbraw/zinc/82/74/61/793827461.db2.gz XPWMDOWPIHMXRC-JKSUJKDBSA-N 1 3 306.458 2.140 20 0 DEADHO NCCC[N@@H+](C1CCCCC1)[C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173736047 793827473 /nfs/dbraw/zinc/82/74/73/793827473.db2.gz XPWMDOWPIHMXRC-JKSUJKDBSA-N 1 3 306.458 2.140 20 0 DEADHO CCC(CC)N1CCC([NH2+][C@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173754975 793838619 /nfs/dbraw/zinc/83/86/19/793838619.db2.gz ZZGHZDIJLFNRPF-RDJZCZTQSA-N 1 3 320.485 2.399 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]Cc1cc(F)ccc1C ZINC001174683725 794040412 /nfs/dbraw/zinc/04/04/12/794040412.db2.gz UYAJZSCTEVNLKN-UHFFFAOYSA-N 1 3 318.396 2.004 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]Cc1ccc(Cl)cc1 ZINC001174683962 794041020 /nfs/dbraw/zinc/04/10/20/794041020.db2.gz XVPUMWGQSXEVEM-UHFFFAOYSA-N 1 3 320.824 2.210 20 0 DEADHO Cc1cc(CNCCCC[C@@H](C)NC(=O)CCC[NH+](C)C)on1 ZINC001174960659 794112691 /nfs/dbraw/zinc/11/26/91/794112691.db2.gz GXVXXRXPNUFZOU-CQSZACIVSA-N 1 3 324.469 2.089 20 0 DEADHO C[C@@H](CCCC[NH2+]CCCF)NC(=O)CN1CCC[C@H]1C ZINC001175257204 794172162 /nfs/dbraw/zinc/17/21/62/794172162.db2.gz WRCNLWARSOABJA-LSDHHAIUSA-N 1 3 301.450 2.095 20 0 DEADHO C[C@@H](CCCC[NH2+]C/C=C/Cl)NC(=O)CN1CC[C@@H](C)C1 ZINC001175265509 794173839 /nfs/dbraw/zinc/17/38/39/794173839.db2.gz YXVRJUBBYULVOM-ZRJDUIELSA-N 1 3 315.889 2.345 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1ocnc1C)N(C)C ZINC001175315784 794180757 /nfs/dbraw/zinc/18/07/57/794180757.db2.gz HGPVUCHEESUZFC-HIFRSBDPSA-N 1 3 324.469 2.088 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccccc1F ZINC001176986105 794546723 /nfs/dbraw/zinc/54/67/23/794546723.db2.gz DXUBNWYIJQITPP-QGZVFWFLSA-N 1 3 321.440 2.296 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)[C@H]1CCCN1C ZINC001178360165 794909141 /nfs/dbraw/zinc/90/91/41/794909141.db2.gz NFSRVLSSXFDVSB-HRCADAONSA-N 1 3 309.498 2.486 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCCCCC[NH2+]C[C@@H](C)OC ZINC001178853679 795013678 /nfs/dbraw/zinc/01/36/78/795013678.db2.gz NUYUALBWHHJHQC-OAHLLOKOSA-N 1 3 315.502 2.018 20 0 DEADHO CC(C)CCC[NH2+][C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)[C@H]1C ZINC001179538679 795134218 /nfs/dbraw/zinc/13/42/18/795134218.db2.gz GPNIZQMGEHRBKS-IKGGRYGDSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCCCCC[NH2+]CCC2CC2)C1 ZINC001179586467 795137944 /nfs/dbraw/zinc/13/79/44/795137944.db2.gz PAOKUWHDULQQCT-INIZCTEOSA-N 1 3 309.498 2.395 20 0 DEADHO C[C@H]1[C@@H]([NH2+]C/C=C/c2ccccc2)CCN1C(=O)Cc1c[nH]cn1 ZINC001179608305 795142747 /nfs/dbraw/zinc/14/27/47/795142747.db2.gz GMNUQUMUKVFAEH-CFHZQUHTSA-N 1 3 324.428 2.245 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2csc(C)c2)[C@@H]1C ZINC001179986868 795214849 /nfs/dbraw/zinc/21/48/49/795214849.db2.gz FIJUCTBSOVNHRF-HOCLYGCPSA-N 1 3 323.506 2.477 20 0 DEADHO CCCN(C)CC(=O)NCCCCCC[NH2+]Cc1cccnc1 ZINC001180121768 795244826 /nfs/dbraw/zinc/24/48/26/795244826.db2.gz VNDBBSQYRSJZPG-UHFFFAOYSA-N 1 3 320.481 2.190 20 0 DEADHO C[NH+](C)CCCC(=O)N1CCC[C@@H]([C@@H]2CCCN2CCF)C1 ZINC001120422292 795455904 /nfs/dbraw/zinc/45/59/04/795455904.db2.gz LFVDHIJNVXYWSQ-CVEARBPZSA-N 1 3 313.461 2.001 20 0 DEADHO CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCN2C(C)C)C[C@H]1C ZINC001181440535 795479852 /nfs/dbraw/zinc/47/98/52/795479852.db2.gz JCWBQULPOSROHB-JFIYKMOQSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CC2)C1 ZINC001181672324 795518970 /nfs/dbraw/zinc/51/89/70/795518970.db2.gz VAKKELJTPVTMTC-HHXXYDBFSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC[C@H](C)F)C1)N(C)C ZINC001181884662 795556041 /nfs/dbraw/zinc/55/60/41/795556041.db2.gz IPHWTZMSIXFQMN-JYYAWHABSA-N 1 3 315.477 2.149 20 0 DEADHO CCN1CCN(c2ccc(NC(=O)CCCC[NH2+]C)cc2)CC1 ZINC001121925554 795704864 /nfs/dbraw/zinc/70/48/64/795704864.db2.gz AQJTXQVBOQYUKP-UHFFFAOYSA-N 1 3 318.465 2.157 20 0 DEADHO O=C(CCCCC1CC[NH2+]CC1)Nc1cnc2c(c1)CNCC2 ZINC001122010069 795716194 /nfs/dbraw/zinc/71/61/94/795716194.db2.gz JINFZEITCDHFHQ-UHFFFAOYSA-N 1 3 316.449 2.226 20 0 DEADHO CC[C@@H](F)C[NH2+]C1CC2(CC(NC(=O)CN(C)C(C)C)C2)C1 ZINC001122249210 795739434 /nfs/dbraw/zinc/73/94/34/795739434.db2.gz PJGKMQXJIQHBHC-HOUHCIJLSA-N 1 3 313.461 2.092 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1C[NH2+]CCC1CC1 ZINC001184557454 796083381 /nfs/dbraw/zinc/08/33/81/796083381.db2.gz XQHRWSIVRBPZQO-WBVHZDCISA-N 1 3 321.509 2.345 20 0 DEADHO CN(C)c1ccc(CN2CCC([NH+]3CCN(C)CC3)CC2)s1 ZINC001138490373 796225932 /nfs/dbraw/zinc/22/59/32/796225932.db2.gz AEWIYCJNCOHJDO-UHFFFAOYSA-N 1 3 322.522 2.026 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CC=C(C)C)[C@@H](C)C1 ZINC001185546207 796289063 /nfs/dbraw/zinc/28/90/63/796289063.db2.gz BEEDCFWNJHBADQ-DLBZAZTESA-N 1 3 309.498 2.369 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CCC(C)C)[C@@H](C)C1 ZINC001185546460 796289837 /nfs/dbraw/zinc/28/98/37/796289837.db2.gz CEYFYCIDGXFRNJ-IRXDYDNUSA-N 1 3 311.514 2.449 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]CCC2CC2)[C@@H](C)C1 ZINC001185750976 796315165 /nfs/dbraw/zinc/31/51/65/796315165.db2.gz NGPVFZTYWHQGJG-RDJZCZTQSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]CC2CCC2)[C@@H](C)C1 ZINC001185751273 796315761 /nfs/dbraw/zinc/31/57/61/796315761.db2.gz OPCHOVARGMDHBC-RDJZCZTQSA-N 1 3 309.498 2.201 20 0 DEADHO CCn1ccc2c1cccc2CN1CCN(CC[NH+](C)C)CC1 ZINC001139151747 796335443 /nfs/dbraw/zinc/33/54/43/796335443.db2.gz JJDWNQXDUOTWIK-UHFFFAOYSA-N 1 3 314.477 2.340 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001186451171 796402664 /nfs/dbraw/zinc/40/26/64/796402664.db2.gz CBTPQUNEUVAQAJ-QGZVFWFLSA-N 1 3 321.440 2.188 20 0 DEADHO CCN(CC)CC(=O)N1CCC([NH2+]CCc2ccccc2)CC1 ZINC001202991889 796461172 /nfs/dbraw/zinc/46/11/72/796461172.db2.gz UACCEYVXYLSKLE-UHFFFAOYSA-N 1 3 317.477 2.152 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001187283896 796513341 /nfs/dbraw/zinc/51/33/41/796513341.db2.gz DGGVQKFYCOIWDU-IEODJVTJSA-N 1 3 315.461 2.232 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCC2CCC2)C1 ZINC001189400875 796822920 /nfs/dbraw/zinc/82/29/20/796822920.db2.gz POUUKQABWYWYRQ-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001189400875 796822923 /nfs/dbraw/zinc/82/29/23/796822923.db2.gz POUUKQABWYWYRQ-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO CC[C@@H](F)C[NH2+]CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001205457626 796865950 /nfs/dbraw/zinc/86/59/50/796865950.db2.gz HQQDVWFKSSCUDF-OAHLLOKOSA-N 1 3 313.461 2.047 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@@H]([N@H+](C)CC=C(C)C)C1 ZINC001190445744 796999566 /nfs/dbraw/zinc/99/95/66/796999566.db2.gz ZZSBBGDCEIWNNM-CVEARBPZSA-N 1 3 313.461 2.165 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@@H]([N@@H+](C)CC=C(C)C)C1 ZINC001190445744 796999570 /nfs/dbraw/zinc/99/95/70/796999570.db2.gz ZZSBBGDCEIWNNM-CVEARBPZSA-N 1 3 313.461 2.165 20 0 DEADHO CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001190653822 797049716 /nfs/dbraw/zinc/04/97/16/797049716.db2.gz GSMGHDCEJSMJOW-TZNMXKOXSA-N 1 3 307.482 2.216 20 0 DEADHO CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001190653822 797049723 /nfs/dbraw/zinc/04/97/23/797049723.db2.gz GSMGHDCEJSMJOW-TZNMXKOXSA-N 1 3 307.482 2.216 20 0 DEADHO CC(C)=CCN(C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001191144540 797153880 /nfs/dbraw/zinc/15/38/80/797153880.db2.gz NSLJISQHVVIALJ-INIZCTEOSA-N 1 3 305.466 2.114 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cccc(C)c1 ZINC001152445892 797188407 /nfs/dbraw/zinc/18/84/07/797188407.db2.gz QOBLPISSWCNQRM-QGZVFWFLSA-N 1 3 303.450 2.075 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)CCC(C)(C)C)C1 ZINC001192343436 797366896 /nfs/dbraw/zinc/36/68/96/797366896.db2.gz OXPYEARPVZNXJR-CVEARBPZSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001192343436 797366904 /nfs/dbraw/zinc/36/69/04/797366904.db2.gz OXPYEARPVZNXJR-CVEARBPZSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C)C[N@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001192377350 797376974 /nfs/dbraw/zinc/37/69/74/797376974.db2.gz KIYFMMRFRFTMRM-CVEARBPZSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001192377350 797376981 /nfs/dbraw/zinc/37/69/81/797376981.db2.gz KIYFMMRFRFTMRM-CVEARBPZSA-N 1 3 309.498 2.297 20 0 DEADHO CCN(Cc1cccc(F)c1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999176 797657470 /nfs/dbraw/zinc/65/74/70/797657470.db2.gz GEIOLQWVYMQDIF-CQSZACIVSA-N 1 3 309.429 2.104 20 0 DEADHO Cc1nc(NC[C@]2(F)CCCC[NH2+]C2)cc(N2CCCC2)n1 ZINC001155114926 797686385 /nfs/dbraw/zinc/68/63/85/797686385.db2.gz HZIXKTUHXXXBBV-INIZCTEOSA-N 1 3 307.417 2.279 20 0 DEADHO Cc1nc(NC[C@@]2(F)CCCC[NH2+]C2)cc(N2CCCC2)n1 ZINC001155114927 797686604 /nfs/dbraw/zinc/68/66/04/797686604.db2.gz HZIXKTUHXXXBBV-MRXNPFEDSA-N 1 3 307.417 2.279 20 0 DEADHO CCN(CC)CC(=O)N1CCC(C[NH2+]CCC(F)(F)F)CC1 ZINC001206654041 797710786 /nfs/dbraw/zinc/71/07/86/797710786.db2.gz UEAJLAMQIQFAQQ-UHFFFAOYSA-N 1 3 323.403 2.109 20 0 DEADHO CC[N@H+](CCCF)[C@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001155621002 797807679 /nfs/dbraw/zinc/80/76/79/797807679.db2.gz LBBCQSVBNXBQDQ-HZPDHXFCSA-N 1 3 315.477 2.436 20 0 DEADHO CC[N@@H+](CCCF)[C@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001155621002 797807687 /nfs/dbraw/zinc/80/76/87/797807687.db2.gz LBBCQSVBNXBQDQ-HZPDHXFCSA-N 1 3 315.477 2.436 20 0 DEADHO [NH3+]C1CCN(c2cccc(NC[C@H]3Cc4ccccc4O3)n2)CC1 ZINC001155972605 797895621 /nfs/dbraw/zinc/89/56/21/797895621.db2.gz KNKVYNRKCSFEML-MRXNPFEDSA-N 1 3 324.428 2.425 20 0 DEADHO CC(C)Oc1ccnc(NCC2(N(C)C)CC[NH+](C)CC2)c1 ZINC001156182454 797940703 /nfs/dbraw/zinc/94/07/03/797940703.db2.gz UKFXGMNVEOMFRS-UHFFFAOYSA-N 1 3 306.454 2.307 20 0 DEADHO CC/C=C/CC[N@@H+]1CCCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001197158915 798157313 /nfs/dbraw/zinc/15/73/13/798157313.db2.gz YITUMOFUNUXCHX-LAQIPUCWSA-N 1 3 307.482 2.219 20 0 DEADHO CC/C=C/CC[N@H+]1CCCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001197158915 798157316 /nfs/dbraw/zinc/15/73/16/798157316.db2.gz YITUMOFUNUXCHX-LAQIPUCWSA-N 1 3 307.482 2.219 20 0 DEADHO Cc1cnc(N2CCN(CC3CC[NH+](C)CC3)CC2)cc1C ZINC001157841631 798291613 /nfs/dbraw/zinc/29/16/13/798291613.db2.gz HISIGXXXPYOSJL-UHFFFAOYSA-N 1 3 302.466 2.162 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]C/C=C/Cl)CC1 ZINC001203903066 798324988 /nfs/dbraw/zinc/32/49/88/798324988.db2.gz KPAQIJCAWYCOPO-BOSPYUDASA-N 1 3 313.873 2.194 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]CC1CC2(CCC2)C1 ZINC001152457090 798344336 /nfs/dbraw/zinc/34/43/36/798344336.db2.gz BEPRRLQMKRYGEV-MRXNPFEDSA-N 1 3 307.482 2.147 20 0 DEADHO CC1(C)C[C@H](Nc2ncc3c(n2)CCNC3)C[C@@](C)(C[NH3+])C1 ZINC001158269552 798370984 /nfs/dbraw/zinc/37/09/84/798370984.db2.gz SCAOPKKNMFBSKV-SUMWQHHRSA-N 1 3 303.454 2.078 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001158646649 798442979 /nfs/dbraw/zinc/44/29/79/798442979.db2.gz REEJYBFJNBCFIG-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001158646649 798442983 /nfs/dbraw/zinc/44/29/83/798442983.db2.gz REEJYBFJNBCFIG-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCN1CCN(CCC[NH2+]Cc2ccc3scnc3c2)CC1 ZINC001199237972 798455470 /nfs/dbraw/zinc/45/54/70/798455470.db2.gz KCBHLSZQHCKZDZ-UHFFFAOYSA-N 1 3 318.490 2.414 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001199788271 798539012 /nfs/dbraw/zinc/53/90/12/798539012.db2.gz NRMOWXAGODBXKF-KRWDZBQOSA-N 1 3 307.482 2.242 20 0 DEADHO CCOC(=O)c1c2c(sc1Nc1ccncc1C)C[NH2+]CC2 ZINC001159204619 798539120 /nfs/dbraw/zinc/53/91/20/798539120.db2.gz BSOKBZBACWGXEQ-UHFFFAOYSA-N 1 3 317.414 2.439 20 0 DEADHO [NH3+]C1CCN(CCc2cn(-c3cnccn3)c3ccccc23)CC1 ZINC001159460083 798567102 /nfs/dbraw/zinc/56/71/02/798567102.db2.gz OABWWLPVFIMKPN-UHFFFAOYSA-N 1 3 321.428 2.386 20 0 DEADHO CSc1cnc(Cl)c(C(F)(F)N[C@@H](N)CCC[NH3+])c1 ZINC001159786682 798607972 /nfs/dbraw/zinc/60/79/72/798607972.db2.gz HFMUDIJMMDDLBE-SECBINFHSA-N 1 3 310.801 2.120 20 0 DEADHO CN(C)[C@@H](C(=O)NCCC[NH2+][C@H]1CCc2ccccc21)C1CC1 ZINC001159933032 798627834 /nfs/dbraw/zinc/62/78/34/798627834.db2.gz YDKSXPVGAOOVLC-ZWKOTPCHSA-N 1 3 315.461 2.110 20 0 DEADHO CCCN(CCC[NH+](C)C)C(=S)NCCN1CCCCC1 ZINC001200428418 798635415 /nfs/dbraw/zinc/63/54/15/798635415.db2.gz QLBCDRIDBJGBCO-UHFFFAOYSA-N 1 3 314.543 2.011 20 0 DEADHO CN(CC(=O)NCCC[NH2+][C@@H]1CCc2ccccc21)C1CCC1 ZINC001159997618 798638107 /nfs/dbraw/zinc/63/81/07/798638107.db2.gz USFASRUONUQRIW-GOSISDBHSA-N 1 3 315.461 2.254 20 0 DEADHO NCc1cnccc1Nc1ccccc1OCC1CC[NH2+]CC1 ZINC001160190107 798659704 /nfs/dbraw/zinc/65/97/04/798659704.db2.gz ZXRFRBBKXNNATJ-UHFFFAOYSA-N 1 3 312.417 2.084 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+][C@@H]1CCc2ccc(F)cc21)N(C)C ZINC001160889077 798756009 /nfs/dbraw/zinc/75/60/09/798756009.db2.gz BGDYORUEJXYMGT-IAGOWNOFSA-N 1 3 321.440 2.249 20 0 DEADHO Cn1cnc2cccc(Nc3cc[nH+]c(N4CCN(C)CC4)c3)c21 ZINC001201667152 798781061 /nfs/dbraw/zinc/78/10/61/798781061.db2.gz BXMPSYUYYQDPCE-UHFFFAOYSA-N 1 3 322.416 2.464 20 0 DEADHO CC[C@]1(C(=O)N(C)CCN(C)Cc2ccccc2)CCC[NH2+]C1 ZINC001161160714 798803260 /nfs/dbraw/zinc/80/32/60/798803260.db2.gz DUGZPARKBRNNMH-IBGZPJMESA-N 1 3 317.477 2.357 20 0 DEADHO CCCC[N@H+]1CC=C(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001161205283 798809554 /nfs/dbraw/zinc/80/95/54/798809554.db2.gz CEVPVYRHTLNVCJ-MRXNPFEDSA-N 1 3 307.482 2.409 20 0 DEADHO CCCC[N@@H+]1CC=C(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001161205283 798809559 /nfs/dbraw/zinc/80/95/59/798809559.db2.gz CEVPVYRHTLNVCJ-MRXNPFEDSA-N 1 3 307.482 2.409 20 0 DEADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[C@@H](c4ccccc4)N3)C[C@@H]12 ZINC001161413314 798849188 /nfs/dbraw/zinc/84/91/88/798849188.db2.gz PDBFUHPTKQQIIB-DZVNLGKHSA-N 1 3 313.445 2.066 20 0 DEADHO C[C@@H]1CC[NH2+][C@H](C(=O)N(C2CCCC2)C2CCN(C)CC2)C1 ZINC001161453342 798861787 /nfs/dbraw/zinc/86/17/87/798861787.db2.gz DOBSHDWVHYIBDQ-PBHICJAKSA-N 1 3 307.482 2.240 20 0 DEADHO C[NH+](C)CCCCNc1cccc2cc([C@H]3CNCCO3)cn21 ZINC001161730679 798924913 /nfs/dbraw/zinc/92/49/13/798924913.db2.gz PKNIXUPEHJEJNS-QGZVFWFLSA-N 1 3 316.449 2.354 20 0 DEADHO CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001161952084 798977264 /nfs/dbraw/zinc/97/72/64/798977264.db2.gz CZXMOCRYEOWXEF-KRWDZBQOSA-N 1 3 307.482 2.409 20 0 DEADHO CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001161952084 798977270 /nfs/dbraw/zinc/97/72/70/798977270.db2.gz CZXMOCRYEOWXEF-KRWDZBQOSA-N 1 3 307.482 2.409 20 0 DEADHO C[C@@H]1C[C@@H](CNc2cccc3cc([C@@H]4CNCCO4)cn32)C[NH2+]1 ZINC001162559727 799117368 /nfs/dbraw/zinc/11/73/68/799117368.db2.gz PYMAIVKPGVXEHJ-CPUCHLNUSA-N 1 3 314.433 2.010 20 0 DEADHO CC[NH2+]CCN(CCc1ccccc1)C(=O)CN1CCC[C@H]1C ZINC001162928331 799203741 /nfs/dbraw/zinc/20/37/41/799203741.db2.gz GJHFUGQECBKQTL-QGZVFWFLSA-N 1 3 317.477 2.152 20 0 DEADHO Cc1cc(CN)nn1-c1ccc2c(c1)ncn2[C@@H]1CCC[NH2+]CC1 ZINC001163984959 799473083 /nfs/dbraw/zinc/47/30/83/799473083.db2.gz GBJCPDRWDWUTPA-OAHLLOKOSA-N 1 3 324.432 2.304 20 0 DEADHO Cc1ncc2ccc(NCC3(N(C)C)CC[NH+](C)CC3)cc2n1 ZINC001164213124 799540485 /nfs/dbraw/zinc/54/04/85/799540485.db2.gz PSHCYRIZZPQBII-UHFFFAOYSA-N 1 3 313.449 2.376 20 0 DEADHO CC(=O)Nc1ccc(NCC2(N(C)C)CC[NH+](C)CC2)cc1C ZINC001164213622 799541039 /nfs/dbraw/zinc/54/10/39/799541039.db2.gz ZELGACCTQFJZAM-UHFFFAOYSA-N 1 3 318.465 2.391 20 0 DEADHO CN(C)[C@H](C(=O)NCCC1(C[NH2+]CC2CCCC2)CC1)C1CC1 ZINC001165485117 799736987 /nfs/dbraw/zinc/73/69/87/799736987.db2.gz MLMRYUCCMNHKJU-KRWDZBQOSA-N 1 3 321.509 2.393 20 0 DEADHO CC(C)=CC[NH2+]CC1(CCNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001165617617 799751927 /nfs/dbraw/zinc/75/19/27/799751927.db2.gz PHJSYYSNVXBOGP-INIZCTEOSA-N 1 3 309.498 2.415 20 0 DEADHO Cc1ccccc1C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166004035 799811857 /nfs/dbraw/zinc/81/18/57/799811857.db2.gz CIEKNLHUJUBZCY-QGZVFWFLSA-N 1 3 305.466 2.177 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]Cc2ccccc2Cl)C1 ZINC001166668283 799916025 /nfs/dbraw/zinc/91/60/25/799916025.db2.gz XSVQNMOLJGKRQP-CQSZACIVSA-N 1 3 323.868 2.278 20 0 DEADHO CC(C)(C)N1CC[C@](F)(C(=O)NCCC[NH2+]C/C=C\Cl)C1 ZINC001166687273 799921343 /nfs/dbraw/zinc/92/13/43/799921343.db2.gz LLXDUOYAVROYRR-IJVDHGTGSA-N 1 3 319.852 2.047 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1sccc1Cl)N(C)C ZINC001166857398 799967061 /nfs/dbraw/zinc/96/70/61/799967061.db2.gz DYAYEQAPLZEXSD-LBPRGKRZSA-N 1 3 317.886 2.338 20 0 DEADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]CC2CC2)C12CCC2)CC(C)(C)C ZINC001203425783 800045347 /nfs/dbraw/zinc/04/53/47/800045347.db2.gz DGVWIYPNCLWAQI-HOTGVXAUSA-N 1 3 321.509 2.391 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]([NH2+]C/C=C/Cl)C12CCC2 ZINC001203792034 800123382 /nfs/dbraw/zinc/12/33/82/800123382.db2.gz MQHFMBCOSITMBG-VTDTZARESA-N 1 3 313.873 2.096 20 0 DEADHO CC[C@@H](C)C[NH2+]C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001203903825 800144351 /nfs/dbraw/zinc/14/43/51/800144351.db2.gz OQWSBCIORVSCIG-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CCCOc1cc(F)ccc1CN1CCC[C@@](O)(C[NH3+])CC1 ZINC001205247098 800329069 /nfs/dbraw/zinc/32/90/69/800329069.db2.gz ATGNXRCCEMVUPP-KRWDZBQOSA-N 1 3 310.413 2.290 20 0 DEADHO CC(C)Oc1cc(F)ccc1CN1CCC[C@@](O)(C[NH3+])CC1 ZINC001205254737 800332396 /nfs/dbraw/zinc/33/23/96/800332396.db2.gz ATPSXVQPVFPVRO-KRWDZBQOSA-N 1 3 310.413 2.289 20 0 DEADHO C[N@@H+]1CCCC[C@H]1CCN1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000934440671 800357786 /nfs/dbraw/zinc/35/77/86/800357786.db2.gz LDPMYWISVCIVDU-CEXWTWQISA-N 1 3 302.462 2.396 20 0 DEADHO C[N@H+]1CCCC[C@H]1CCN1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000934440671 800357791 /nfs/dbraw/zinc/35/77/91/800357791.db2.gz LDPMYWISVCIVDU-CEXWTWQISA-N 1 3 302.462 2.396 20 0 DEADHO COc1cc(CN2CCC[C@@](F)(C[NH3+])CC2)cc(OC)c1O ZINC001205546249 800373432 /nfs/dbraw/zinc/37/34/32/800373432.db2.gz STFYCNCPPZOIKP-INIZCTEOSA-N 1 3 312.385 2.062 20 0 DEADHO C[C@@H]1CCN(Cc2ccnn2[C@H]2CCCCO2)CC[C@@H]1C[NH3+] ZINC001205617806 800387489 /nfs/dbraw/zinc/38/74/89/800387489.db2.gz NZNNPDCFPCUDDI-BFYDXBDKSA-N 1 3 306.454 2.389 20 0 DEADHO NC[C@]1(O)CCCC[N@H+](Cc2ccc(O)c3ccccc23)C1 ZINC001205674118 800400094 /nfs/dbraw/zinc/40/00/94/800400094.db2.gz ZRVBTUOJOPBXLY-GOSISDBHSA-N 1 3 300.402 2.221 20 0 DEADHO NC[C@]1(O)CCCC[N@@H+](Cc2ccc(O)c3ccccc23)C1 ZINC001205674118 800400097 /nfs/dbraw/zinc/40/00/97/800400097.db2.gz ZRVBTUOJOPBXLY-GOSISDBHSA-N 1 3 300.402 2.221 20 0 DEADHO [NH3+]C[C@@H]1CCCCN(Cc2ccc(N3CCC(O)CC3)s2)C1 ZINC001206622827 800567226 /nfs/dbraw/zinc/56/72/26/800567226.db2.gz HGXVJJOWAQNSKV-AWEZNQCLSA-N 1 3 323.506 2.270 20 0 DEADHO Cc1cccc(N2CCC[N@@H+](CC(C)(C)CN(C)C)CC2)n1 ZINC001207282335 800722674 /nfs/dbraw/zinc/72/26/74/800722674.db2.gz IQARDFPPEGGIQC-UHFFFAOYSA-N 1 3 304.482 2.490 20 0 DEADHO Cc1cccc(N2CCC[N@H+](CC(C)(C)CN(C)C)CC2)n1 ZINC001207282335 800722679 /nfs/dbraw/zinc/72/26/79/800722679.db2.gz IQARDFPPEGGIQC-UHFFFAOYSA-N 1 3 304.482 2.490 20 0 DEADHO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCCN2CC1CC[NH2+]CC1 ZINC001207435733 800750982 /nfs/dbraw/zinc/75/09/82/800750982.db2.gz KXWHIDSLHWYZBR-LSDHHAIUSA-N 1 3 309.454 2.070 20 0 DEADHO CN(CCC1CC[NH+](C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001207486419 800765218 /nfs/dbraw/zinc/76/52/18/800765218.db2.gz HVWJNZAFMIDVCM-UHFFFAOYSA-N 1 3 311.470 2.269 20 0 DEADHO COc1ccc(CCCN2CCN(CCC[NH+](C)C)CC2)cc1 ZINC001207583084 800784771 /nfs/dbraw/zinc/78/47/71/800784771.db2.gz ZVVLMTGMLFZXSA-UHFFFAOYSA-N 1 3 319.493 2.197 20 0 DEADHO CC1(C[N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)COC1 ZINC001207799890 800837465 /nfs/dbraw/zinc/83/74/65/800837465.db2.gz HIEMNWPUYFFLPI-QZTJIDSGSA-N 1 3 300.446 2.477 20 0 DEADHO CC1(C[N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)COC1 ZINC001207799890 800837468 /nfs/dbraw/zinc/83/74/68/800837468.db2.gz HIEMNWPUYFFLPI-QZTJIDSGSA-N 1 3 300.446 2.477 20 0 DEADHO CC1(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)COC1 ZINC001207799890 800837476 /nfs/dbraw/zinc/83/74/76/800837476.db2.gz HIEMNWPUYFFLPI-QZTJIDSGSA-N 1 3 300.446 2.477 20 0 DEADHO CC1(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)COC1 ZINC001207799890 800837482 /nfs/dbraw/zinc/83/74/82/800837482.db2.gz HIEMNWPUYFFLPI-QZTJIDSGSA-N 1 3 300.446 2.477 20 0 DEADHO CC(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001208035488 800899015 /nfs/dbraw/zinc/89/90/15/800899015.db2.gz KGUANWUSBZASEP-SJORKVTESA-N 1 3 309.498 2.486 20 0 DEADHO CN(C)CC1(C[NH+]2CCC(N3CCOC3=O)CC2)CCCC1 ZINC001208186523 800925205 /nfs/dbraw/zinc/92/52/05/800925205.db2.gz SWSLJQJVOQSGNO-UHFFFAOYSA-N 1 3 309.454 2.025 20 0 DEADHO CN(C)CC1(C[N@@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)CCCC1 ZINC001208188683 800926799 /nfs/dbraw/zinc/92/67/99/800926799.db2.gz MXRURAOOKADEMZ-OAHLLOKOSA-N 1 3 322.428 2.191 20 0 DEADHO CN(C)CC1(C[N@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)CCCC1 ZINC001208188683 800926804 /nfs/dbraw/zinc/92/68/04/800926804.db2.gz MXRURAOOKADEMZ-OAHLLOKOSA-N 1 3 322.428 2.191 20 0 DEADHO CN(C)CC1(C[N@@H+]2CCC[C@H](Oc3cnccn3)C2)CCCC1 ZINC001208189060 800926991 /nfs/dbraw/zinc/92/69/91/800926991.db2.gz QQFMNALQARCRFT-INIZCTEOSA-N 1 3 318.465 2.442 20 0 DEADHO CN(C)CC1(C[N@H+]2CCC[C@H](Oc3cnccn3)C2)CCCC1 ZINC001208189060 800926992 /nfs/dbraw/zinc/92/69/92/800926992.db2.gz QQFMNALQARCRFT-INIZCTEOSA-N 1 3 318.465 2.442 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCC(C)(C)C)C1)C1CC1 ZINC001208333911 800957628 /nfs/dbraw/zinc/95/76/28/800957628.db2.gz AGNZYGJGGXRVRG-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1)C1CCC1 ZINC001208341194 800960223 /nfs/dbraw/zinc/96/02/23/800960223.db2.gz VWTURRUIIWUSGT-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1ccc(CN2C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001208435136 800982725 /nfs/dbraw/zinc/98/27/25/800982725.db2.gz UPOCPUFXUKADFY-SJLPKXTDSA-N 1 3 317.477 2.273 20 0 DEADHO C[N@@H+]1CCC[C@H](CN2CC[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)C1 ZINC001208608886 801030140 /nfs/dbraw/zinc/03/01/40/801030140.db2.gz XHCNLGPIZRZLEX-JYJNAYRXSA-N 1 3 323.481 2.412 20 0 DEADHO C[N@H+]1CCC[C@H](CN2CC[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)C1 ZINC001208608886 801030144 /nfs/dbraw/zinc/03/01/44/801030144.db2.gz XHCNLGPIZRZLEX-JYJNAYRXSA-N 1 3 323.481 2.412 20 0 DEADHO CN1CCC[C@H](C[NH+]2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)C1 ZINC001208612622 801033267 /nfs/dbraw/zinc/03/32/67/801033267.db2.gz MXNVHAGHYIJPEB-UFYCRDLUSA-N 1 3 313.489 2.392 20 0 DEADHO C[N@@H+]1CCC[C@H](CN2CCC(NC(=O)CC(C)(C)C)CC2)C1 ZINC001208618809 801037496 /nfs/dbraw/zinc/03/74/96/801037496.db2.gz SHPWDXYRFMOLTF-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO C[N@H+]1CCC[C@H](CN2CCC(NC(=O)CC(C)(C)C)CC2)C1 ZINC001208618809 801037503 /nfs/dbraw/zinc/03/75/03/801037503.db2.gz SHPWDXYRFMOLTF-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO O[C@@H]1CCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[C@@H]1F ZINC001208941846 801099348 /nfs/dbraw/zinc/09/93/48/801099348.db2.gz NJVXFXWTRUZAMU-OKZBNKHCSA-N 1 3 306.425 2.303 20 0 DEADHO O[C@@H]1CCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[C@@H]1F ZINC001208941846 801099358 /nfs/dbraw/zinc/09/93/58/801099358.db2.gz NJVXFXWTRUZAMU-OKZBNKHCSA-N 1 3 306.425 2.303 20 0 DEADHO COCOCCCN1C[C@@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001209026836 801114018 /nfs/dbraw/zinc/11/40/18/801114018.db2.gz VWUPTJZLBCRGCY-KDURUIRLSA-N 1 3 318.461 2.369 20 0 DEADHO COCOCCCN1C[C@@H]2C[N@H+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001209026836 801114020 /nfs/dbraw/zinc/11/40/20/801114020.db2.gz VWUPTJZLBCRGCY-KDURUIRLSA-N 1 3 318.461 2.369 20 0 DEADHO CC(C)C(=O)N1CC[C@@H]2C[N@H+](CCCN3CCCCC3)CC[C@@H]21 ZINC001209450129 801192431 /nfs/dbraw/zinc/19/24/31/801192431.db2.gz JPUCBZFOGVWSOD-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C(=O)N1CC[C@@H]2C[N@@H+](CCCN3CCCCC3)CC[C@@H]21 ZINC001209450129 801192434 /nfs/dbraw/zinc/19/24/34/801192434.db2.gz JPUCBZFOGVWSOD-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C[NH+]1CCC2(CN(C)C2)CC1)NC(=O)OC(C)(C)C ZINC001209466405 801196872 /nfs/dbraw/zinc/19/68/72/801196872.db2.gz NOLOZKMPFLRUET-AWEZNQCLSA-N 1 3 311.470 2.317 20 0 DEADHO COc1cc(CN2CCC3(CC2)CC[NH+](C)CC3)cnc1OC ZINC001209621483 801237369 /nfs/dbraw/zinc/23/73/69/801237369.db2.gz YCTHEFRVXVILEK-UHFFFAOYSA-N 1 3 319.449 2.407 20 0 DEADHO CC(C)CC[NH2+][C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209661243 801249060 /nfs/dbraw/zinc/24/90/60/801249060.db2.gz VXEWLJNJUZQYCP-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCCF ZINC001229933534 801338394 /nfs/dbraw/zinc/33/83/94/801338394.db2.gz REFIFLVJIXHSJK-HUUCEWRRSA-N 1 3 324.444 2.417 20 0 DEADHO F[C@@H]1CNCCN(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001210579942 801425224 /nfs/dbraw/zinc/42/52/24/801425224.db2.gz CQTCHHFBFTUZFJ-MSOLQXFVSA-N 1 3 305.441 2.284 20 0 DEADHO F[C@@H]1CNCCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001210579942 801425226 /nfs/dbraw/zinc/42/52/26/801425226.db2.gz CQTCHHFBFTUZFJ-MSOLQXFVSA-N 1 3 305.441 2.284 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCCCF)C1)N(C)C ZINC001214904863 801774537 /nfs/dbraw/zinc/77/45/37/801774537.db2.gz MWVUDQSNHKFLJJ-OAGGEKHMSA-N 1 3 315.477 2.149 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCCCF)C1 ZINC001214998081 801788331 /nfs/dbraw/zinc/78/83/31/801788331.db2.gz RASFOXULXIGIOJ-HUUCEWRRSA-N 1 3 315.477 2.293 20 0 DEADHO CC/C=C\CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001215541248 801873500 /nfs/dbraw/zinc/87/35/00/801873500.db2.gz WMKKYZMMIMTDCH-VMIJOWMCSA-N 1 3 307.482 2.121 20 0 DEADHO Cc1cccc(F)c1CN1CC[C@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001232489096 801900100 /nfs/dbraw/zinc/90/01/00/801900100.db2.gz XQQIAEGMKFQXTL-ZWKOTPCHSA-N 1 3 305.441 2.344 20 0 DEADHO Cc1cccc(F)c1CN1CC[C@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001232489096 801900108 /nfs/dbraw/zinc/90/01/08/801900108.db2.gz XQQIAEGMKFQXTL-ZWKOTPCHSA-N 1 3 305.441 2.344 20 0 DEADHO C[NH+]1CCC(CN2CCN(Cc3cccc(CF)n3)CC2)CC1 ZINC001232541481 801913675 /nfs/dbraw/zinc/91/36/75/801913675.db2.gz WEEGZTYOPYYLEC-UHFFFAOYSA-N 1 3 320.456 2.011 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1nc2c(s1)CCC2 ZINC001218517959 802197032 /nfs/dbraw/zinc/19/70/32/802197032.db2.gz KMAXQTWMSHEJAR-NSHDSACASA-N 1 3 310.467 2.066 20 0 DEADHO Cc1nc(-c2cccc(NC(=O)[C@H](N)CCC[NH3+])c2)cs1 ZINC001218813221 802244290 /nfs/dbraw/zinc/24/42/90/802244290.db2.gz WSBHHRLVEWHLOD-CYBMUJFWSA-N 1 3 304.419 2.123 20 0 DEADHO NC1(C(=O)Nc2ccc([C@H]3CC[NH2+]C3)cc2)Cc2ccccc2C1 ZINC001218997120 802273144 /nfs/dbraw/zinc/27/31/44/802273144.db2.gz RVOZGJZKHQMBBN-KRWDZBQOSA-N 1 3 321.424 2.198 20 0 DEADHO C[C@H]1CC(C)(C)c2cccc(NC(=O)[C@@H]3C[NH2+]CC34CNC4)c21 ZINC001219038575 802276109 /nfs/dbraw/zinc/27/61/09/802276109.db2.gz YWPKELIBXONWGM-JSGCOSHPSA-N 1 3 313.445 2.219 20 0 DEADHO CCC[C@H](N)C(=O)Nc1cccc(F)c1OC1CC[NH2+]CC1 ZINC001219301274 802308904 /nfs/dbraw/zinc/30/89/04/802308904.db2.gz OHHPZFMQVTVTCQ-ZDUSSCGKSA-N 1 3 309.385 2.022 20 0 DEADHO CCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001234344764 802357694 /nfs/dbraw/zinc/35/76/94/802357694.db2.gz DDZGNPGMZAUXQP-IAGOWNOFSA-N 1 3 307.482 2.051 20 0 DEADHO CCCCCN1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001234344765 802359243 /nfs/dbraw/zinc/35/92/43/802359243.db2.gz DDZGNPGMZAUXQP-IRXDYDNUSA-N 1 3 307.482 2.051 20 0 DEADHO COCC[NH+]1CCC(Oc2cccc3c2CCN(C)C3)CC1 ZINC001234423341 802375824 /nfs/dbraw/zinc/37/58/24/802375824.db2.gz JEZSNVDZAVVCQG-UHFFFAOYSA-N 1 3 304.434 2.164 20 0 DEADHO N[C@@H](CCC[NH3+])C(=O)NCc1c(Cl)ccc(Cl)c1Cl ZINC001220814460 802500699 /nfs/dbraw/zinc/50/06/99/802500699.db2.gz BWQKJBZGPUPWIN-JTQLQIEISA-N 1 3 324.639 2.329 20 0 DEADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCc1nnc2ccccn21 ZINC000316334811 802508117 /nfs/dbraw/zinc/50/81/17/802508117.db2.gz CZWJQHQTMOUSNA-LSDHHAIUSA-N 1 3 301.438 2.172 20 0 DEADHO CCN(CC)CC(=O)N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221033516 802522508 /nfs/dbraw/zinc/52/25/08/802522508.db2.gz GPGYLZRUYLBEMV-GOSISDBHSA-N 1 3 321.440 2.324 20 0 DEADHO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001221063052 802525725 /nfs/dbraw/zinc/52/57/25/802525725.db2.gz KHECOGCSLRXYDA-NJAFHUGGSA-N 1 3 315.461 2.155 20 0 DEADHO CCOc1ccc(NC(=O)CN(C)C2CCC([NH3+])CC2)cc1 ZINC000316843406 802527048 /nfs/dbraw/zinc/52/70/48/802527048.db2.gz RHAQLFZHDHJLQO-UHFFFAOYSA-N 1 3 305.422 2.226 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@@H]1CCCc2cnccc21 ZINC001221292232 802549530 /nfs/dbraw/zinc/54/95/30/802549530.db2.gz HZJFVXYUDRYKLN-DLBZAZTESA-N 1 3 318.465 2.071 20 0 DEADHO O=C(NCCCCC1CCCCC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221327868 802555644 /nfs/dbraw/zinc/55/56/44/802555644.db2.gz BEGHHJIZKZXVQP-SJLPKXTDSA-N 1 3 307.482 2.052 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC3CCCC3)C[C@H]21 ZINC001221654863 802601551 /nfs/dbraw/zinc/60/15/51/802601551.db2.gz VSLJWXXNQPHBHI-IAGOWNOFSA-N 1 3 321.509 2.440 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC3CCCC3)C[C@H]21 ZINC001221654863 802601555 /nfs/dbraw/zinc/60/15/55/802601555.db2.gz VSLJWXXNQPHBHI-IAGOWNOFSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@H](C(=O)NCC1CC[NH+](CC2CCCC2)CC1)N(C)C ZINC001223597629 802803240 /nfs/dbraw/zinc/80/32/40/802803240.db2.gz PBTUMAUQBIONLH-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO C[NH+](C)CCC(=O)NCC1CCN(Cc2ccsc2)CC1 ZINC001224346499 802860029 /nfs/dbraw/zinc/86/00/29/802860029.db2.gz KCOMNMYCTLXZCN-UHFFFAOYSA-N 1 3 309.479 2.028 20 0 DEADHO CC[NH+](CC)CCO[C@H]1COCCN(Cc2ccccc2)C1 ZINC001224931547 802918061 /nfs/dbraw/zinc/91/80/61/802918061.db2.gz HPUOBKBLQAEBCW-GOSISDBHSA-N 1 3 306.450 2.246 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCC2)CCC1 ZINC001226765325 803155740 /nfs/dbraw/zinc/15/57/40/803155740.db2.gz BIWMSUFVSGUTPR-HZPDHXFCSA-N 1 3 307.482 2.288 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1)N(C)C ZINC001228445324 803360730 /nfs/dbraw/zinc/36/07/30/803360730.db2.gz OCBSRFMEJYRRGT-BRWVUGGUSA-N 1 3 309.498 2.390 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001418301365 1167562017 /nfs/dbraw/zinc/56/20/17/1167562017.db2.gz WGDFZTVKLVYSMR-ZIAGYGMSSA-N 1 3 319.440 2.248 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC12CC[NH+](CCC(C)C)CC2 ZINC001370075816 1149379401 /nfs/dbraw/zinc/37/94/01/1149379401.db2.gz CPNJAWUATGCWLG-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCCN(C/C=C\Cl)C1 ZINC001419629373 1168708336 /nfs/dbraw/zinc/70/83/36/1168708336.db2.gz CYPXVVOIMIYIBV-XDHNQJSPSA-N 1 3 315.889 2.297 20 0 DEADHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1C)N(C)C ZINC001419689532 1168803895 /nfs/dbraw/zinc/80/38/95/1168803895.db2.gz ZEYAHRSVNXNTIZ-DOTOQJQBSA-N 1 3 305.466 2.272 20 0 DEADHO CC(C)[C@@H]1CCN(CN2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)C1=O ZINC001345108125 1150865572 /nfs/dbraw/zinc/86/55/72/1150865572.db2.gz HLDPAQCFGDDPLQ-NXOAAHMSSA-N 1 3 307.482 2.111 20 0 DEADHO CC[NH2+][C@H](C)c1ccc(CNC(=O)CN(C)C2CCC2)cc1 ZINC001368411314 1148437672 /nfs/dbraw/zinc/43/76/72/1148437672.db2.gz IAZZIYBLVUFSRK-CQSZACIVSA-N 1 3 303.450 2.458 20 0 DEADHO CC(C)(C)C(=O)N1CCC[C@H](C[N@@H+]2C[C@@H]3CCC[C@]3(N)C2)C1 ZINC001575098416 1069366243 /nfs/dbraw/zinc/36/62/43/1069366243.db2.gz CYPCFLVUKISMOG-VKJFTORMSA-N 1 3 307.482 2.084 20 0 DEADHO CC(C)(C)C(=O)N1CCC[C@H](C[N@H+]2C[C@@H]3CCC[C@]3(N)C2)C1 ZINC001575098416 1069366248 /nfs/dbraw/zinc/36/62/48/1069366248.db2.gz CYPCFLVUKISMOG-VKJFTORMSA-N 1 3 307.482 2.084 20 0 DEADHO CC(C)(C)C(=O)N1CCC[C@H](C[N@@H+]2C[C@@H]3CCC[C@@]3(N)C2)C1 ZINC001575098414 1069365890 /nfs/dbraw/zinc/36/58/90/1069365890.db2.gz CYPCFLVUKISMOG-RVKKMQEKSA-N 1 3 307.482 2.084 20 0 DEADHO CC(C)(C)C(=O)N1CCC[C@H](C[N@H+]2C[C@@H]3CCC[C@@]3(N)C2)C1 ZINC001575098414 1069365901 /nfs/dbraw/zinc/36/59/01/1069365901.db2.gz CYPCFLVUKISMOG-RVKKMQEKSA-N 1 3 307.482 2.084 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001368502565 1148469523 /nfs/dbraw/zinc/46/95/23/1148469523.db2.gz WCJOVLMGSXQCTN-RYQLBKOJSA-N 1 3 321.509 2.393 20 0 DEADHO Cc1cc(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2CCCN2C)cs1 ZINC001368520551 1148475867 /nfs/dbraw/zinc/47/58/67/1148475867.db2.gz BYJHTZRAVPZBDS-INIZCTEOSA-N 1 3 323.506 2.431 20 0 DEADHO Cc1cc(C[N@H+](C)CCCN(C)C(=O)[C@@H]2CCCN2C)cs1 ZINC001368520551 1148475868 /nfs/dbraw/zinc/47/58/68/1148475868.db2.gz BYJHTZRAVPZBDS-INIZCTEOSA-N 1 3 323.506 2.431 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CCC2CC2)C1 ZINC001328859247 1148842083 /nfs/dbraw/zinc/84/20/83/1148842083.db2.gz MJRIEJXQZOCJAP-OFLPRAFFSA-N 1 3 307.482 2.144 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@@H]1CN(Cc2ccccc2)CC1(C)C ZINC001369114450 1148851560 /nfs/dbraw/zinc/85/15/60/1148851560.db2.gz JLGLZUKQDXVQDX-QGZVFWFLSA-N 1 3 317.477 2.355 20 0 DEADHO C[C@H]1CN(C[C@@H]2C[C@H]2c2cnn(C)c2)CCN1c1cc[nH+]cc1 ZINC001462547407 1058847587 /nfs/dbraw/zinc/84/75/87/1058847587.db2.gz GJXZANIBWPGYRZ-RLFYNMQTSA-N 1 3 311.433 2.129 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCF)N(C)C ZINC001501166558 1059343858 /nfs/dbraw/zinc/34/38/58/1059343858.db2.gz XJHCAPZWKKWXOL-QKPAOTATSA-N 1 3 313.461 2.045 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCF)N(C)C ZINC001501166558 1059343878 /nfs/dbraw/zinc/34/38/78/1059343878.db2.gz XJHCAPZWKKWXOL-QKPAOTATSA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CCN(C3CC3)C[C@H](C)C2)C1 ZINC001468521425 1059803690 /nfs/dbraw/zinc/80/36/90/1059803690.db2.gz CQAPGDPPRDQSOK-JKSUJKDBSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](C(=O)N2CCN(C3CC3)C[C@H](C)C2)C1 ZINC001468521425 1059803706 /nfs/dbraw/zinc/80/37/06/1059803706.db2.gz CQAPGDPPRDQSOK-JKSUJKDBSA-N 1 3 307.482 2.050 20 0 DEADHO CCC(CC)[C@H](CNC(=O)N[C@@H]1CCN(C)[C@@H]1C)[NH+]1CCCC1 ZINC001471393671 1060216947 /nfs/dbraw/zinc/21/69/47/1060216947.db2.gz BDBCKTXTORFADY-OIISXLGYSA-N 1 3 324.513 2.279 20 0 DEADHO CC[C@@H](C)C[N@H+](C)C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001505434438 1060589947 /nfs/dbraw/zinc/58/99/47/1060589947.db2.gz QXZOZZQHHRBDDD-WBVHZDCISA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001505434438 1060589966 /nfs/dbraw/zinc/58/99/66/1060589966.db2.gz QXZOZZQHHRBDDD-WBVHZDCISA-N 1 3 309.498 2.440 20 0 DEADHO CCN(CCCN1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)CC(F)(F)F ZINC001473842848 1060740306 /nfs/dbraw/zinc/74/03/06/1060740306.db2.gz ZEEJWUOYPHJJLW-KGLIPLIRSA-N 1 3 307.404 2.144 20 0 DEADHO CCN(CCCN1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1)CC(F)(F)F ZINC001473842848 1060740323 /nfs/dbraw/zinc/74/03/23/1060740323.db2.gz ZEEJWUOYPHJJLW-KGLIPLIRSA-N 1 3 307.404 2.144 20 0 DEADHO CCOC(=O)COc1ccc(C[NH2+]CC[C@H](C)N(C)C)cc1 ZINC001474648351 1060910334 /nfs/dbraw/zinc/91/03/34/1060910334.db2.gz BRILOKZLLVZTEO-AWEZNQCLSA-N 1 3 308.422 2.058 20 0 DEADHO CC[C@H](F)C[NH2+]C1CCC(N(C)C(=O)CN(C)C(C)C)CC1 ZINC001505792039 1060969880 /nfs/dbraw/zinc/96/98/80/1060969880.db2.gz UXSNVUNFOMBBOM-FHERZECASA-N 1 3 315.477 2.434 20 0 DEADHO C[C@@H](NC(=O)CN1CC[C@H](C)C1)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC001506657163 1062247886 /nfs/dbraw/zinc/24/78/86/1062247886.db2.gz WSQOISIJPAXEPT-LSDHHAIUSA-N 1 3 321.509 2.201 20 0 DEADHO C[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C1C[NH+](CCC2CC2)C1 ZINC001506661994 1062255742 /nfs/dbraw/zinc/25/57/42/1062255742.db2.gz ROEWJRWQUZTNQZ-CVEARBPZSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](F)C[NH2+]C1CCC(NC(=O)CN(C)C2CCC2)CC1 ZINC001480403119 1062807454 /nfs/dbraw/zinc/80/74/54/1062807454.db2.gz MBPZFBHUPUNWBK-WLYUNCDWSA-N 1 3 313.461 2.236 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]C/C=C\c1ccccc1)N(C)C ZINC001480482146 1062918520 /nfs/dbraw/zinc/91/85/20/1062918520.db2.gz RJMBTVVPSAZTJE-QTVCDNSKSA-N 1 3 317.477 2.380 20 0 DEADHO Cc1ccc(F)c(CN[C@H](C)CNC(=O)CCC[NH+](C)C)c1 ZINC001480527202 1062986427 /nfs/dbraw/zinc/98/64/27/1062986427.db2.gz PAARYYHZVTYBHW-CQSZACIVSA-N 1 3 309.429 2.070 20 0 DEADHO C[C@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CC1CCC1 ZINC001480538299 1063002012 /nfs/dbraw/zinc/00/20/12/1063002012.db2.gz WQWZDPYHWVJKDX-DYVFJYSZSA-N 1 3 313.461 2.093 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC2CC3(CCC3)C2)C[C@@H]1C ZINC001507326763 1063101012 /nfs/dbraw/zinc/10/10/12/1063101012.db2.gz GPDYEVUOEZIBLG-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](F)CN1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001507350134 1063138987 /nfs/dbraw/zinc/13/89/87/1063138987.db2.gz ZUYMTEHGQRPJHB-ZOBUZTSGSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H](F)CC[NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C(C)(C)C ZINC001507952214 1063478236 /nfs/dbraw/zinc/47/82/36/1063478236.db2.gz PBDWQDGONQODLC-ZIAGYGMSSA-N 1 3 315.477 2.339 20 0 DEADHO C[C@H](F)CC[NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C(C)(C)C ZINC001507952213 1063478589 /nfs/dbraw/zinc/47/85/89/1063478589.db2.gz PBDWQDGONQODLC-UONOGXRCSA-N 1 3 315.477 2.339 20 0 DEADHO Cc1cc(C[NH2+]CCN(C)C(=O)CN2CCCC2)c(C)s1 ZINC001493794498 1063965836 /nfs/dbraw/zinc/96/58/36/1063965836.db2.gz XBLITBSCSQWHPM-UHFFFAOYSA-N 1 3 309.479 2.009 20 0 DEADHO CCC/C=C/CC[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001567737435 1064390400 /nfs/dbraw/zinc/39/04/00/1064390400.db2.gz AYUJZJBVAKGSHH-SQRWCISFSA-N 1 3 318.465 2.479 20 0 DEADHO CCC/C=C/CC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001567737435 1064390410 /nfs/dbraw/zinc/39/04/10/1064390410.db2.gz AYUJZJBVAKGSHH-SQRWCISFSA-N 1 3 318.465 2.479 20 0 DEADHO CC(C)[C@H](C(=O)N(C)[C@H]1CC[N@H+](CCCCCF)C1)N(C)C ZINC001567925322 1064528642 /nfs/dbraw/zinc/52/86/42/1064528642.db2.gz LRHCNSXRLMUTRS-JKSUJKDBSA-N 1 3 315.477 2.245 20 0 DEADHO CC(C)[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CCCCCF)C1)N(C)C ZINC001567925322 1064528658 /nfs/dbraw/zinc/52/86/58/1064528658.db2.gz LRHCNSXRLMUTRS-JKSUJKDBSA-N 1 3 315.477 2.245 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@H]1CC[C@H](NCc2nccs2)CC1 ZINC001495467079 1064925842 /nfs/dbraw/zinc/92/58/42/1064925842.db2.gz QQBXFTCDTYXNDN-HDJSIYSDSA-N 1 3 324.494 2.002 20 0 DEADHO CCCCCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001568514827 1064928947 /nfs/dbraw/zinc/92/89/47/1064928947.db2.gz CIOPLQHYPPWCQS-RDJZCZTQSA-N 1 3 318.465 2.455 20 0 DEADHO CCCCCC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001568514827 1064928953 /nfs/dbraw/zinc/92/89/53/1064928953.db2.gz CIOPLQHYPPWCQS-RDJZCZTQSA-N 1 3 318.465 2.455 20 0 DEADHO C[NH+](C)CCC(=O)NC/C=C/CN[C@@H]1CCc2ccc(F)cc21 ZINC001568911744 1065187348 /nfs/dbraw/zinc/18/73/48/1065187348.db2.gz HVTOUWXVMOIEDX-REMYHPOOSA-N 1 3 319.424 2.027 20 0 DEADHO C[NH+](C)Cc1ccc(C(=O)NC/C=C\CNC/C=C/Cl)cc1 ZINC001568937814 1065199713 /nfs/dbraw/zinc/19/97/13/1065199713.db2.gz ZGHIXOLBHWPMCW-DXWLQBKVSA-N 1 3 321.852 2.376 20 0 DEADHO C[C@H](C[NH2+]Cc1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CCCN1C ZINC001496028439 1065236220 /nfs/dbraw/zinc/23/62/20/1065236220.db2.gz QHUFPUCXPTUKDX-CJNGLKHVSA-N 1 3 323.868 2.371 20 0 DEADHO C[C@@H](C[N@H+](C)CC1=CCCCC1)NC(=O)CN(C)C1CCC1 ZINC001569122333 1065303348 /nfs/dbraw/zinc/30/33/48/1065303348.db2.gz ZWBRWPMBLDFLSP-HNNXBMFYSA-N 1 3 307.482 2.408 20 0 DEADHO C[C@@H](C[N@@H+](C)CC1=CCCCC1)NC(=O)CN(C)C1CCC1 ZINC001569122333 1065303357 /nfs/dbraw/zinc/30/33/57/1065303357.db2.gz ZWBRWPMBLDFLSP-HNNXBMFYSA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)(C(=O)N[C@H]1CCCC[C@H]1C[NH2+]CCF)N1CCCC1 ZINC001569165267 1065332976 /nfs/dbraw/zinc/33/29/76/1065332976.db2.gz SAIRQXPVFMEXKO-GJZGRUSLSA-N 1 3 313.461 2.095 20 0 DEADHO CC(C)C[N@H+](C)CCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001496781393 1065710296 /nfs/dbraw/zinc/71/02/96/1065710296.db2.gz OZZDVMZBKQLKKL-QGZVFWFLSA-N 1 3 315.477 2.245 20 0 DEADHO CC(C)C[N@@H+](C)CCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001496781393 1065710305 /nfs/dbraw/zinc/71/03/05/1065710305.db2.gz OZZDVMZBKQLKKL-QGZVFWFLSA-N 1 3 315.477 2.245 20 0 DEADHO CCCCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001569824214 1065744698 /nfs/dbraw/zinc/74/46/98/1065744698.db2.gz OLNWEOWGZGXGRZ-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)=CC[N@H+]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001570177943 1065954920 /nfs/dbraw/zinc/95/49/20/1065954920.db2.gz VUQLJLHYIVISCA-INIZCTEOSA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001570177943 1065954924 /nfs/dbraw/zinc/95/49/24/1065954924.db2.gz VUQLJLHYIVISCA-INIZCTEOSA-N 1 3 307.482 2.408 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]CC[C@@H](C)NC(=O)CN(C)C(C)C ZINC001497330347 1066031437 /nfs/dbraw/zinc/03/14/37/1066031437.db2.gz GXKKEDOQIOEUQK-OAHLLOKOSA-N 1 3 323.456 2.459 20 0 DEADHO CC1CCN(CC(=O)NC/C=C\C[NH2+]Cc2ccccc2)CC1 ZINC001497713701 1066258895 /nfs/dbraw/zinc/25/88/95/1066258895.db2.gz IJKUTAWXEYBMBP-WAYWQWQTSA-N 1 3 315.461 2.181 20 0 DEADHO CC(C)([NH3+])c1ccc(NC(=O)NCCN2CCCCC2)cc1 ZINC001575365093 1066276061 /nfs/dbraw/zinc/27/60/61/1066276061.db2.gz DVAGKXBEWLNGRX-UHFFFAOYSA-N 1 3 304.438 2.488 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC001575698939 1066403856 /nfs/dbraw/zinc/40/38/56/1066403856.db2.gz ACJVFZKIYOOWPG-WMZOPIPTSA-N 1 3 315.461 2.110 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](C(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC001575698939 1066403867 /nfs/dbraw/zinc/40/38/67/1066403867.db2.gz ACJVFZKIYOOWPG-WMZOPIPTSA-N 1 3 315.461 2.110 20 0 DEADHO C[C@@H](NCCC(=O)NCc1ccccc1Cl)[C@H]1CCC[NH2+]C1 ZINC001576243807 1066534466 /nfs/dbraw/zinc/53/44/66/1066534466.db2.gz GDKCOWIUQKSRIO-KGLIPLIRSA-N 1 3 323.868 2.324 20 0 DEADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCC[C@H]1Sc2ccccc2NC1=O ZINC001576747452 1066677963 /nfs/dbraw/zinc/67/79/63/1066677963.db2.gz AGHGCQJZWUNVJF-CZPYZCIJSA-N 1 3 319.474 2.466 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1ccco1 ZINC001577004209 1066744153 /nfs/dbraw/zinc/74/41/53/1066744153.db2.gz SBPSTMLUQKTFCK-BYNSBNAKSA-N 1 3 307.438 2.343 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)c1ccc(CC[NH3+])cc1 ZINC001577523991 1066866762 /nfs/dbraw/zinc/86/67/62/1066866762.db2.gz PIVBUDPTTHCVFT-UHFFFAOYSA-N 1 3 303.450 2.136 20 0 DEADHO CC[N@@H+]1CCCN(C(=O)C[C@@H]2NCc3ccccc32)[C@H](C)C1 ZINC001577773324 1066924669 /nfs/dbraw/zinc/92/46/69/1066924669.db2.gz BOXKYVFPDLMMKB-PBHICJAKSA-N 1 3 301.434 2.164 20 0 DEADHO CC[N@H+]1CCCN(C(=O)C[C@@H]2NCc3ccccc32)[C@H](C)C1 ZINC001577773324 1066924678 /nfs/dbraw/zinc/92/46/78/1066924678.db2.gz BOXKYVFPDLMMKB-PBHICJAKSA-N 1 3 301.434 2.164 20 0 DEADHO CCO[C@@H]1C[C@@](CO)([NH2+]C[C@@H](N)CCC(C)(C)C)C1(C)C ZINC001578086972 1066978800 /nfs/dbraw/zinc/97/88/00/1066978800.db2.gz AYXXKUCTKCDSBN-VBQJREDUSA-N 1 3 300.487 2.296 20 0 DEADHO C[NH2+]C1CC(C(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC001578593261 1067136981 /nfs/dbraw/zinc/13/69/81/1067136981.db2.gz FSYYFTWMAFEWSF-ZALBZXLWSA-N 1 3 309.841 2.057 20 0 DEADHO COCCOc1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)o1 ZINC001579064660 1067228242 /nfs/dbraw/zinc/22/82/42/1067228242.db2.gz WPBGMOKVLHBYRR-INIZCTEOSA-N 1 3 308.422 2.269 20 0 DEADHO COc1cc(CN(C)C)ccc1NC(=O)[C@H]1CCC[NH2+]CC1 ZINC001579150360 1067243923 /nfs/dbraw/zinc/24/39/23/1067243923.db2.gz HVYJKOITJHDVOD-AWEZNQCLSA-N 1 3 305.422 2.085 20 0 DEADHO COc1ccc(CCNC[C@@H]([NH3+])CC(F)(F)F)c(OC)c1 ZINC001579209013 1067252805 /nfs/dbraw/zinc/25/28/05/1067252805.db2.gz CHNSJXIUHZDOGN-NSHDSACASA-N 1 3 306.328 2.116 20 0 DEADHO COc1nccc(CN2CCC3(C[NH2+][C@H]3C(C)C)CC2)c1F ZINC001579325182 1067305805 /nfs/dbraw/zinc/30/58/05/1067305805.db2.gz ICXWGAHEBLMMDJ-HNNXBMFYSA-N 1 3 307.413 2.439 20 0 DEADHO CSc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])C2CCC2)N(C)C)cc1 ZINC001579387798 1067322439 /nfs/dbraw/zinc/32/24/39/1067322439.db2.gz NFPXCYJQWVRKBJ-CVEARBPZSA-N 1 3 321.490 2.255 20 0 DEADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3cn4ccnc4s3)CC2)C1 ZINC001580200667 1067522110 /nfs/dbraw/zinc/52/21/10/1067522110.db2.gz SWXVIZVSNOABIS-DZGCQCFKSA-N 1 3 320.462 2.114 20 0 DEADHO CCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001267071227 1078546039 /nfs/dbraw/zinc/54/60/39/1078546039.db2.gz SWTQLDLOYIPXKV-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO Cc1cc(C)cc(C[NH2+]CCCN(C)C(=O)CN2CCCC2)c1 ZINC001483508851 1078575810 /nfs/dbraw/zinc/57/58/10/1078575810.db2.gz CLJVZTRMIOBWEG-UHFFFAOYSA-N 1 3 317.477 2.337 20 0 DEADHO CC(C)CN1CC[C@H]1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001483681453 1078783496 /nfs/dbraw/zinc/78/34/96/1078783496.db2.gz LRMDIQDNBWJXNS-YOEHRIQHSA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)CN1CC[C@H]1CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001483681453 1078783502 /nfs/dbraw/zinc/78/35/02/1078783502.db2.gz LRMDIQDNBWJXNS-YOEHRIQHSA-N 1 3 313.461 2.045 20 0 DEADHO CCc1cccc(C[NH2+]CCN(C)C(=O)[C@H](C(C)C)N(C)C)c1 ZINC001267387207 1078821097 /nfs/dbraw/zinc/82/10/97/1078821097.db2.gz JQMAICMRRUQJCH-SFHVURJKSA-N 1 3 319.493 2.383 20 0 DEADHO CC[NH+](CC)CCCCNC(=O)c1cc2c(s1)CNCC2 ZINC001521439352 1069241531 /nfs/dbraw/zinc/24/15/31/1069241531.db2.gz OTEOHSYWIFAZQJ-UHFFFAOYSA-N 1 3 309.479 2.246 20 0 DEADHO CCCN1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001645535786 1078911735 /nfs/dbraw/zinc/91/17/35/1078911735.db2.gz XDAWAVLOGDHOBP-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC001645535786 1078911742 /nfs/dbraw/zinc/91/17/42/1078911742.db2.gz XDAWAVLOGDHOBP-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC001548584589 1072697965 /nfs/dbraw/zinc/69/79/65/1072697965.db2.gz LSBFNFDHOZIUTB-OAHLLOKOSA-N 1 3 315.417 2.304 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@H]1CN(C)C[C@@H]1c1ccccc1 ZINC001549034518 1072990556 /nfs/dbraw/zinc/99/05/56/1072990556.db2.gz AJORDTCQLFCNKH-VUBSUSDNSA-N 1 3 313.489 2.404 20 0 DEADHO CC(C)=CC[NH2+]C1(CNC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001483773176 1079104448 /nfs/dbraw/zinc/10/44/48/1079104448.db2.gz GPQCTJZMEXUVAY-INIZCTEOSA-N 1 3 307.482 2.456 20 0 DEADHO FC1(F)Oc2cccc(CN3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c2O1 ZINC001236314268 1079110184 /nfs/dbraw/zinc/11/01/84/1079110184.db2.gz AHEBLPOPWRYMNI-TXEJJXNPSA-N 1 3 310.344 2.440 20 0 DEADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cccnc3)C2)[C@H]1C(C)C ZINC001550423409 1073649261 /nfs/dbraw/zinc/64/92/61/1073649261.db2.gz MQEIRSFFIKNFAP-FJIDUMEYSA-N 1 3 303.450 2.041 20 0 DEADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cccnc3)C2)[C@H]1C(C)C ZINC001550423409 1073649265 /nfs/dbraw/zinc/64/92/65/1073649265.db2.gz MQEIRSFFIKNFAP-FJIDUMEYSA-N 1 3 303.450 2.041 20 0 DEADHO C[NH+](C)CC1(C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CCC2)CC1 ZINC001483825618 1079144758 /nfs/dbraw/zinc/14/47/58/1079144758.db2.gz IDTKHFWLKHVONV-CALCHBBNSA-N 1 3 319.493 2.194 20 0 DEADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3conc3C3CC3)CC2)C1 ZINC001550703980 1073815059 /nfs/dbraw/zinc/81/50/59/1073815059.db2.gz VRBRMUKSHYAOHW-HZPDHXFCSA-N 1 3 305.422 2.270 20 0 DEADHO Nc1c(F)cccc1CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC001550704829 1073816586 /nfs/dbraw/zinc/81/65/86/1073816586.db2.gz IRZUJQAAOAKZEZ-HOCLYGCPSA-N 1 3 307.413 2.126 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC001550833800 1073902955 /nfs/dbraw/zinc/90/29/55/1073902955.db2.gz FKUNSHONJLNUCO-YESZJQIVSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC001550833800 1073902960 /nfs/dbraw/zinc/90/29/60/1073902960.db2.gz FKUNSHONJLNUCO-YESZJQIVSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001550833800 1073902968 /nfs/dbraw/zinc/90/29/68/1073902968.db2.gz FKUNSHONJLNUCO-YESZJQIVSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001550833800 1073902971 /nfs/dbraw/zinc/90/29/71/1073902971.db2.gz FKUNSHONJLNUCO-YESZJQIVSA-N 1 3 307.482 2.240 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2CC[N@H+](CCCCCF)C2)CCC1 ZINC001481095891 1079178889 /nfs/dbraw/zinc/17/88/89/1079178889.db2.gz NYBPZHUQFVYMGO-OAHLLOKOSA-N 1 3 313.461 2.049 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2CC[N@@H+](CCCCCF)C2)CCC1 ZINC001481095891 1079178893 /nfs/dbraw/zinc/17/88/93/1079178893.db2.gz NYBPZHUQFVYMGO-OAHLLOKOSA-N 1 3 313.461 2.049 20 0 DEADHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)N[C@@H](C)c1ccccc1F ZINC001369274641 1148888318 /nfs/dbraw/zinc/88/83/18/1148888318.db2.gz HEZBMRYXUWHRHE-KBPBESRZSA-N 1 3 309.429 2.275 20 0 DEADHO C[NH2+]C[C@H]1CCCCN1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC001646191122 1074367449 /nfs/dbraw/zinc/36/74/49/1074367449.db2.gz ONKGXPSSHUKAQU-IAGOWNOFSA-N 1 3 318.465 2.073 20 0 DEADHO C[NH+](C)CCC(=O)N[C@]1(C)CCN(CCCCC(F)(F)F)C1 ZINC001484058150 1079273441 /nfs/dbraw/zinc/27/34/41/1079273441.db2.gz PVIVLDFAEQFGGO-CQSZACIVSA-N 1 3 323.403 2.251 20 0 DEADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@@H]1CCCC[NH2+]C1 ZINC001552413775 1074572245 /nfs/dbraw/zinc/57/22/45/1074572245.db2.gz BCUNSPCIZUDEBD-HUUCEWRRSA-N 1 3 321.490 2.391 20 0 DEADHO C[C@H]1CCCN(C(=O)c2cc3c(s2)CCNC3)[C@@H]1CCC[NH3+] ZINC001552441026 1074575972 /nfs/dbraw/zinc/57/59/72/1074575972.db2.gz TXLZDDUHILTWHI-GXTWGEPZSA-N 1 3 321.490 2.373 20 0 DEADHO c1c2c(sc1-c1nc([C@H]3CN4CCC3CC4)no1)CC[NH2+]C2 ZINC001552471205 1074584217 /nfs/dbraw/zinc/58/42/17/1074584217.db2.gz ZHQXWCFQCFCERV-LBPRGKRZSA-N 1 3 316.430 2.253 20 0 DEADHO C[C@H]1CN[C@@H](C)[C@H](C)N1C(=O)c1ccc([C@@H]2CCCC[NH2+]2)n1C ZINC001646795012 1074621843 /nfs/dbraw/zinc/62/18/43/1074621843.db2.gz LMJYTIPNKPQNTI-AJNGGQMLSA-N 1 3 318.465 2.051 20 0 DEADHO [NH3+]CC[C@H]1Cc2ccccc2N(C(=O)c2ccc3c(c2)CNC3)C1 ZINC001646812131 1074631265 /nfs/dbraw/zinc/63/12/65/1074631265.db2.gz XCVDLUKLRJWNSB-AWEZNQCLSA-N 1 3 321.424 2.458 20 0 DEADHO CC(C)[C@@H]1CN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)CCN1C ZINC001552753550 1074648417 /nfs/dbraw/zinc/64/84/17/1074648417.db2.gz WTJMSQRYMBYYDS-IRXDYDNUSA-N 1 3 301.434 2.020 20 0 DEADHO Cc1cccc([C@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cc2c[nH]cn2)c1 ZINC001369278652 1148889831 /nfs/dbraw/zinc/88/98/31/1148889831.db2.gz KFYXZRKRIJHZOM-GJZGRUSLSA-N 1 3 314.433 2.458 20 0 DEADHO Cc1cc(N2CCC([NH2+][C@@H]3[C@H]4CCCN[C@H]4C3(C)C)CC2)n[nH]1 ZINC001553024354 1074740430 /nfs/dbraw/zinc/74/04/30/1074740430.db2.gz ZCGSFYNLRIRZKY-USXIJHARSA-N 1 3 317.481 2.053 20 0 DEADHO CC1(C)[C@@H]2NCCC[C@@H]2[C@@H]1[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC001553026687 1074741458 /nfs/dbraw/zinc/74/14/58/1074741458.db2.gz XAKUTBOQPRYKMG-MJBXVCDLSA-N 1 3 319.415 2.379 20 0 DEADHO CC[NH+](CC)CC[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001647013532 1074767762 /nfs/dbraw/zinc/76/77/62/1074767762.db2.gz KOEZFIMRVAPENG-WMLDXEAASA-N 1 3 315.477 2.436 20 0 DEADHO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC001647159358 1074821298 /nfs/dbraw/zinc/82/12/98/1074821298.db2.gz RXKJBKOUWAKHQU-YESZJQIVSA-N 1 3 322.497 2.175 20 0 DEADHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CCc1ccccc1)N(C)C ZINC001369282737 1148891243 /nfs/dbraw/zinc/89/12/43/1148891243.db2.gz GDLKLPXFHRUJFK-NVXWUHKLSA-N 1 3 305.466 2.006 20 0 DEADHO CCCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)C1 ZINC001267735304 1079427311 /nfs/dbraw/zinc/42/73/11/1079427311.db2.gz RYYFBKQIJPONRG-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)C1 ZINC001267735304 1079427313 /nfs/dbraw/zinc/42/73/13/1079427313.db2.gz RYYFBKQIJPONRG-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CN1CC[C@H](C[NH2+]C[C@H](O)c2ccccc2Br)C1 ZINC001650160040 1079428129 /nfs/dbraw/zinc/42/81/29/1079428129.db2.gz YCIZMKRWUBZSQB-RISCZKNCSA-N 1 3 313.239 2.024 20 0 DEADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001369298308 1148894837 /nfs/dbraw/zinc/89/48/37/1148894837.db2.gz UBPMZDYEQNLQJM-KBPBESRZSA-N 1 3 319.440 2.200 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CCC1 ZINC001369299377 1148895199 /nfs/dbraw/zinc/89/51/99/1148895199.db2.gz XXQVKCZKQVHWLI-DOTOQJQBSA-N 1 3 309.498 2.486 20 0 DEADHO O=C([C@H]1C[NH2+]CCC12CCC2)N1CCN(C2CCCCC2)CC1 ZINC001580485082 1075935055 /nfs/dbraw/zinc/93/50/55/1075935055.db2.gz SEGKNVWGLPPUDB-QGZVFWFLSA-N 1 3 319.493 2.243 20 0 DEADHO O[C@@]1(CN2CCC[C@](F)(c3ccccc3)C2)CCC[NH2+]CC1 ZINC001580879946 1076011870 /nfs/dbraw/zinc/01/18/70/1076011870.db2.gz HVKNXQIEDJIKEF-ZWKOTPCHSA-N 1 3 306.425 2.452 20 0 DEADHO O[C@]1(CN2CCC[C@](F)(c3ccccc3)C2)CCC[NH2+]CC1 ZINC001580879944 1076012380 /nfs/dbraw/zinc/01/23/80/1076012380.db2.gz HVKNXQIEDJIKEF-QZTJIDSGSA-N 1 3 306.425 2.452 20 0 DEADHO C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC001589970021 1076539409 /nfs/dbraw/zinc/53/94/09/1076539409.db2.gz HGNNWGFPTUSYAB-CYBMUJFWSA-N 1 3 322.416 2.219 20 0 DEADHO C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589978518 1076542016 /nfs/dbraw/zinc/54/20/16/1076542016.db2.gz NCXKSUNFAXFDOI-LLVKDONJSA-N 1 3 318.400 2.046 20 0 DEADHO C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001589978518 1076542020 /nfs/dbraw/zinc/54/20/20/1076542020.db2.gz NCXKSUNFAXFDOI-LLVKDONJSA-N 1 3 318.400 2.046 20 0 DEADHO CC(C)C[C@](C)(C[NH3+])C(=O)NC[C@H](c1ccccc1)N(C)C ZINC001650334264 1079535273 /nfs/dbraw/zinc/53/52/73/1079535273.db2.gz ZXSKZDHVQMHRGB-SJLPKXTDSA-N 1 3 305.466 2.417 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3[NH2+]2)CN1C1CC1 ZINC001650340987 1079542860 /nfs/dbraw/zinc/54/28/60/1079542860.db2.gz JIKWOZVKTHNZAP-WDTWZTHCSA-N 1 3 305.466 2.039 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccccc1C[NH3+] ZINC001650349645 1079550109 /nfs/dbraw/zinc/55/01/09/1079550109.db2.gz WIARUKDRROTRSR-BEFAXECRSA-N 1 3 323.440 2.396 20 0 DEADHO CCCC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H](C)C1 ZINC001671250394 1079616234 /nfs/dbraw/zinc/61/62/34/1079616234.db2.gz BUTYYBGHHPJUCP-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001484906269 1079854460 /nfs/dbraw/zinc/85/44/60/1079854460.db2.gz QFCLMZKAYATZAD-WBVHZDCISA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)N1CCC([NH2+]Cc2ccccc2N2CCOCC2)CC1 ZINC000066970481 1079866855 /nfs/dbraw/zinc/86/68/55/1079866855.db2.gz IZQINXQGPHOSKC-UHFFFAOYSA-N 1 3 317.477 2.486 20 0 DEADHO CC(C)CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001481480116 1079934087 /nfs/dbraw/zinc/93/40/87/1079934087.db2.gz PTQAAULSNQRNMY-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001481480116 1079934093 /nfs/dbraw/zinc/93/40/93/1079934093.db2.gz PTQAAULSNQRNMY-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](CN(C)C/C=C/Cl)C1 ZINC001481506006 1079967057 /nfs/dbraw/zinc/96/70/57/1079967057.db2.gz XXJMSKKQAWJHKP-SBJJXXPASA-N 1 3 315.889 2.251 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](CN(C)C/C=C/Cl)C1 ZINC001481506006 1079967060 /nfs/dbraw/zinc/96/70/60/1079967060.db2.gz XXJMSKKQAWJHKP-SBJJXXPASA-N 1 3 315.889 2.251 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(CC2=CCCCC2)C1 ZINC001481530225 1080005187 /nfs/dbraw/zinc/00/51/87/1080005187.db2.gz ZWFBQCGWENQUBT-QGZVFWFLSA-N 1 3 307.482 2.409 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(CC2=CCCCC2)C1 ZINC001481530225 1080005196 /nfs/dbraw/zinc/00/51/96/1080005196.db2.gz ZWFBQCGWENQUBT-QGZVFWFLSA-N 1 3 307.482 2.409 20 0 DEADHO C[C@H](NCc1ccccc1F)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001485185450 1080045152 /nfs/dbraw/zinc/04/51/52/1080045152.db2.gz FKJZGGFFRHKKBZ-KBPBESRZSA-N 1 3 309.429 2.150 20 0 DEADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C[NH2+]CCCF)C1 ZINC001656546501 1080101649 /nfs/dbraw/zinc/10/16/49/1080101649.db2.gz GLXQICNMOHGVKC-ZBFHGGJFSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)=CCN1CC([C@@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001485525621 1080282626 /nfs/dbraw/zinc/28/26/26/1080282626.db2.gz BAHUKTOPLPJQGO-OAHLLOKOSA-N 1 3 307.482 2.121 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC12CC[NH+](CC=C(C)C)CC2 ZINC001661077707 1080439016 /nfs/dbraw/zinc/43/90/16/1080439016.db2.gz GXJZKYKHVXOLLC-INIZCTEOSA-N 1 3 307.482 2.265 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCC(F)(F)F ZINC001268426234 1080457811 /nfs/dbraw/zinc/45/78/11/1080457811.db2.gz LRKIUOWIEALMBD-OLZOCXBDSA-N 1 3 323.403 2.298 20 0 DEADHO CCN(CC[NH2+]C/C=C\c1ccccc1)C(=O)[C@H]1CCCN1C ZINC001268438497 1080467518 /nfs/dbraw/zinc/46/75/18/1080467518.db2.gz JCBPRTFJHADRAN-RLGIIYIFSA-N 1 3 315.461 2.232 20 0 DEADHO CN(CC(=O)N(C)[C@@H](C[NH2+]C/C=C\Cl)C1CC1)C1CCC1 ZINC001485813705 1080485310 /nfs/dbraw/zinc/48/53/10/1080485310.db2.gz LHCDZYKWYMSOCB-NOKKCYSASA-N 1 3 313.873 2.050 20 0 DEADHO CC(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001661947554 1080549378 /nfs/dbraw/zinc/54/93/78/1080549378.db2.gz VOCZGOBXACCWQW-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+]CCC(F)(F)F)CC1 ZINC001482027740 1080701318 /nfs/dbraw/zinc/70/13/18/1080701318.db2.gz NTCZKLPALMGZJT-JOCQHMNTSA-N 1 3 323.403 2.296 20 0 DEADHO CC[C@H](F)CNCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001663981403 1080845786 /nfs/dbraw/zinc/84/57/86/1080845786.db2.gz FWFOFFHJGCWIJX-HOCLYGCPSA-N 1 3 313.461 2.190 20 0 DEADHO CC[C@H](F)CNCCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001663981403 1080845795 /nfs/dbraw/zinc/84/57/95/1080845795.db2.gz FWFOFFHJGCWIJX-HOCLYGCPSA-N 1 3 313.461 2.190 20 0 DEADHO CCCN(C)CC(=O)NC/C=C/C[NH2+][C@H]1CCc2ccccc21 ZINC001268616268 1080891310 /nfs/dbraw/zinc/89/13/10/1080891310.db2.gz LHQNNGTUVNCIBE-DKFQHHCZSA-N 1 3 315.461 2.278 20 0 DEADHO C[C@H](C[NH2+]CCc1cccs1)NC(=O)C(C)(C)N1CCCC1 ZINC001268656526 1080919358 /nfs/dbraw/zinc/91/93/58/1080919358.db2.gz AINVNLMUIKFJKV-CQSZACIVSA-N 1 3 323.506 2.259 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1=CCCCC1 ZINC001268674350 1080927778 /nfs/dbraw/zinc/92/77/78/1080927778.db2.gz RDMPSNDYTLUZEV-WBVHZDCISA-N 1 3 307.482 2.456 20 0 DEADHO CN(CCC[NH2+]Cc1ccccc1Cl)C(=O)[C@H]1CCCN1C ZINC001268812137 1081004534 /nfs/dbraw/zinc/00/45/34/1081004534.db2.gz RQSUKPMGGJTLLT-MRXNPFEDSA-N 1 3 323.868 2.372 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC(CC[NH2+]CC[C@@H](C)F)CC1 ZINC001666263001 1081138535 /nfs/dbraw/zinc/13/85/35/1081138535.db2.gz CTIQMMMTQQHPDR-OAHLLOKOSA-N 1 3 315.477 2.293 20 0 DEADHO CCN(CC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)C1(N(C)C)CCC1 ZINC001668453754 1081356943 /nfs/dbraw/zinc/35/69/43/1081356943.db2.gz YENGQKRCPYRHFM-ZACQAIPSSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@H](C(=O)N1CCC(CC[NH2+]CCC2CC2)CC1)N(C)C ZINC001269934962 1081403771 /nfs/dbraw/zinc/40/37/71/1081403771.db2.gz GTATWCKOZQXADQ-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)CC[NH2+]C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001671359441 1081514551 /nfs/dbraw/zinc/51/45/51/1081514551.db2.gz GODKITLGXFKSDC-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO CCCCCC[N@H+]1C[C@H]2CN(C(=O)CN(C)CCC)C[C@H]2C1 ZINC001672443390 1081600623 /nfs/dbraw/zinc/60/06/23/1081600623.db2.gz ZYUPUPUOSMGWCU-CALCHBBNSA-N 1 3 309.498 2.299 20 0 DEADHO CCCCCC[N@@H+]1C[C@H]2CN(C(=O)CN(C)CCC)C[C@H]2C1 ZINC001672443390 1081600625 /nfs/dbraw/zinc/60/06/25/1081600625.db2.gz ZYUPUPUOSMGWCU-CALCHBBNSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCc1ccccc1)N(C)C ZINC001482355458 1081755804 /nfs/dbraw/zinc/75/58/04/1081755804.db2.gz GOHTUKKFRZQZMR-SJLPKXTDSA-N 1 3 319.493 2.252 20 0 DEADHO Cc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C(C)C)c1 ZINC001482369755 1081767321 /nfs/dbraw/zinc/76/73/21/1081767321.db2.gz OVNRKGHSZOPYEM-MRXNPFEDSA-N 1 3 305.466 2.272 20 0 DEADHO CC(C)=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001482457479 1081913514 /nfs/dbraw/zinc/91/35/14/1081913514.db2.gz SERRYZNPHKVWOR-DLBZAZTESA-N 1 3 307.482 2.408 20 0 DEADHO CCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001271646245 1082098979 /nfs/dbraw/zinc/09/89/79/1082098979.db2.gz SRNFJGZWVPPKPP-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccsc1 ZINC001482570666 1082247650 /nfs/dbraw/zinc/24/76/50/1082247650.db2.gz DMJMNJYAVOVTQG-HNNXBMFYSA-N 1 3 311.495 2.319 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H](C[NH2+]C/C=C\Cl)C1)N(C)C ZINC001266794440 1082348737 /nfs/dbraw/zinc/34/87/37/1082348737.db2.gz ZQFFBSDXYPHQGZ-XCRGBYMUSA-N 1 3 315.889 2.153 20 0 DEADHO CN(CC[NH2+]Cc1ccc(Cl)s1)C(=O)[C@H]1CCCN1C ZINC001266803708 1082356218 /nfs/dbraw/zinc/35/62/18/1082356218.db2.gz ORUPOFYZGCHUGA-GFCCVEGCSA-N 1 3 315.870 2.044 20 0 DEADHO Cc1ccc(CC[N@@H+](C)CCN(C)C(=O)[C@H]2CCCN2C)cc1 ZINC001482619901 1082415157 /nfs/dbraw/zinc/41/51/57/1082415157.db2.gz WPMWYVXAVVXOEA-GOSISDBHSA-N 1 3 317.477 2.022 20 0 DEADHO Cc1ccc(CC[N@H+](C)CCN(C)C(=O)[C@H]2CCCN2C)cc1 ZINC001482619901 1082415161 /nfs/dbraw/zinc/41/51/61/1082415161.db2.gz WPMWYVXAVVXOEA-GOSISDBHSA-N 1 3 317.477 2.022 20 0 DEADHO C[C@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482649020 1082432673 /nfs/dbraw/zinc/43/26/73/1082432673.db2.gz GDQSMCSTQZATBS-GDBMZVCRSA-N 1 3 321.440 2.229 20 0 DEADHO C[C@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482649020 1082432676 /nfs/dbraw/zinc/43/26/76/1082432676.db2.gz GDQSMCSTQZATBS-GDBMZVCRSA-N 1 3 321.440 2.229 20 0 DEADHO CCN(CC[NH2+]CC1=CCCCC1)C(=O)CN(C)C1CCC1 ZINC001482930916 1082566344 /nfs/dbraw/zinc/56/63/44/1082566344.db2.gz JHJYPOJSALTSAJ-UHFFFAOYSA-N 1 3 307.482 2.409 20 0 DEADHO CC[C@H](F)CNCCN(CC)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001482960607 1082579680 /nfs/dbraw/zinc/57/96/80/1082579680.db2.gz QZEWVGYBINIZLN-INIZCTEOSA-N 1 3 315.477 2.293 20 0 DEADHO O=C(CN1CCCC1)NC/C=C/C[NH2+]Cc1cccc(Cl)c1 ZINC001483092658 1082703096 /nfs/dbraw/zinc/70/30/96/1082703096.db2.gz HWWPSTOFABFPQE-OWOJBTEDSA-N 1 3 321.852 2.198 20 0 DEADHO CC(C)C[NH2+]CC1CC(NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001409277024 1082737996 /nfs/dbraw/zinc/73/79/96/1082737996.db2.gz OPEOVHCXFQSVFS-JCYILVPMSA-N 1 3 309.498 2.390 20 0 DEADHO CCCC[NH2+]C[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001483167238 1082788201 /nfs/dbraw/zinc/78/82/01/1082788201.db2.gz WTXCEASARQXWOB-CZUORRHYSA-N 1 3 301.450 2.093 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001409359108 1082844028 /nfs/dbraw/zinc/84/40/28/1082844028.db2.gz JTDRDSOKYZUENQ-UONOGXRCSA-N 1 3 309.498 2.390 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)C(C)C)cc1 ZINC001409477536 1082911212 /nfs/dbraw/zinc/91/12/12/1082911212.db2.gz SYHQLQZDANDWFS-JKSUJKDBSA-N 1 3 305.466 2.318 20 0 DEADHO CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)CC[C@H]21 ZINC001496867729 1083056460 /nfs/dbraw/zinc/05/64/60/1083056460.db2.gz LTMDAZVTUOWSSP-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CCCCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)CC[C@H]21 ZINC001496867729 1083056463 /nfs/dbraw/zinc/05/64/63/1083056463.db2.gz LTMDAZVTUOWSSP-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@H](C[NH2+]Cc1ccc(CF)cc1)NC(=O)CN1CC[C@@H](C)C1 ZINC001483266792 1083065153 /nfs/dbraw/zinc/06/51/53/1083065153.db2.gz UFYOIUMZEVDZMV-CABCVRRESA-N 1 3 321.440 2.092 20 0 DEADHO CC(C)OCC[NH+]1CCC(NCc2cccc3nccn32)CC1 ZINC001413132575 1083382896 /nfs/dbraw/zinc/38/28/96/1083382896.db2.gz TYIIZRYEEPDMOC-UHFFFAOYSA-N 1 3 316.449 2.313 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1ccccc1 ZINC001276403815 1083383743 /nfs/dbraw/zinc/38/37/43/1083383743.db2.gz AKROMBJZZVQAIP-GOSISDBHSA-N 1 3 317.477 2.499 20 0 DEADHO C[NH+](C)CCN1CCC[C@@]2(CCCN(Cc3ccns3)C2)C1 ZINC001276591852 1083507909 /nfs/dbraw/zinc/50/79/09/1083507909.db2.gz RGLYRICHULUYCJ-QGZVFWFLSA-N 1 3 322.522 2.383 20 0 DEADHO C[NH2+][C@@]12CC[C@@](NCc3ccc(-n4ccnn4)cc3)(C1)CCC2 ZINC001276796554 1083615041 /nfs/dbraw/zinc/61/50/41/1083615041.db2.gz MGRLDAWAVJRJNX-ZWKOTPCHSA-N 1 3 311.433 2.422 20 0 DEADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cccc(CC[NH+](C)C)c1 ZINC001413523319 1083653093 /nfs/dbraw/zinc/65/30/93/1083653093.db2.gz ZKLPIAABOAZRIE-QZTJIDSGSA-N 1 3 315.461 2.099 20 0 DEADHO CN(C)CC[N@@H+]1C[C@@H]2CCN(Cc3nc(C4CC4)cs3)[C@@H]2C1 ZINC001276952504 1083696612 /nfs/dbraw/zinc/69/66/12/1083696612.db2.gz NEDKTVCSZMAKFV-GOEBONIOSA-N 1 3 320.506 2.088 20 0 DEADHO CN(C)CC[N@H+]1C[C@@H]2CCN(Cc3nc(C4CC4)cs3)[C@@H]2C1 ZINC001276952504 1083696616 /nfs/dbraw/zinc/69/66/16/1083696616.db2.gz NEDKTVCSZMAKFV-GOEBONIOSA-N 1 3 320.506 2.088 20 0 DEADHO Cc1cc(N2CC[C@H]3[C@@H]2CCN3Cc2cccc(=O)[nH]2)cc[nH+]1 ZINC001277065010 1083756997 /nfs/dbraw/zinc/75/69/97/1083756997.db2.gz RYJBIPZSOLUDOZ-IRXDYDNUSA-N 1 3 310.401 2.344 20 0 DEADHO CC[NH2+]CCCN(Cc1ccccc1)C(=O)CN1CC[C@H](C)C1 ZINC001277461487 1083982966 /nfs/dbraw/zinc/98/29/66/1083982966.db2.gz IAOPJSPAROPQLG-KRWDZBQOSA-N 1 3 317.477 2.357 20 0 DEADHO CNC(=O)C(C)(C)N1CCC2(CC[N@@H+](C3CCCC3)C2)CC1 ZINC001277638925 1084070497 /nfs/dbraw/zinc/07/04/97/1084070497.db2.gz KLGCSIIKGPXALM-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO CNC(=O)C(C)(C)N1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001277638925 1084070507 /nfs/dbraw/zinc/07/05/07/1084070507.db2.gz KLGCSIIKGPXALM-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)OCC[N@@H+]1CCC[C@]2(CCN(CCn3ccnc3)C2)C1 ZINC001277656863 1084078610 /nfs/dbraw/zinc/07/86/10/1084078610.db2.gz CMODJDAARTUIMX-SFHVURJKSA-N 1 3 320.481 2.096 20 0 DEADHO CC(C)OCC[N@H+]1CCC[C@]2(CCN(CCn3ccnc3)C2)C1 ZINC001277656863 1084078616 /nfs/dbraw/zinc/07/86/16/1084078616.db2.gz CMODJDAARTUIMX-SFHVURJKSA-N 1 3 320.481 2.096 20 0 DEADHO CCOC(=O)c1ccc(CCC[N@@H+]2CC[C@H]3C[C@@]3(N)C2)cc1 ZINC001235165966 1084332115 /nfs/dbraw/zinc/33/21/15/1084332115.db2.gz NDRDLCGIYAGXFH-FUHWJXTLSA-N 1 3 302.418 2.219 20 0 DEADHO CCOC(=O)c1ccc(CCC[N@H+]2CC[C@H]3C[C@@]3(N)C2)cc1 ZINC001235165966 1084332127 /nfs/dbraw/zinc/33/21/27/1084332127.db2.gz NDRDLCGIYAGXFH-FUHWJXTLSA-N 1 3 302.418 2.219 20 0 DEADHO OCCCCC[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235362171 1084406927 /nfs/dbraw/zinc/40/69/27/1084406927.db2.gz LVNIATLXQYDETM-RTBURBONSA-N 1 3 302.462 2.402 20 0 DEADHO OCCCCC[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235362171 1084406933 /nfs/dbraw/zinc/40/69/33/1084406933.db2.gz LVNIATLXQYDETM-RTBURBONSA-N 1 3 302.462 2.402 20 0 DEADHO CC/C=C\CCN1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001235587134 1084471252 /nfs/dbraw/zinc/47/12/52/1084471252.db2.gz CDUAWSHPSZEBGH-JIPXFFRKSA-N 1 3 309.498 2.462 20 0 DEADHO CC/C=C/CCN1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001235587135 1084471773 /nfs/dbraw/zinc/47/17/73/1084471773.db2.gz CDUAWSHPSZEBGH-LJFOUZCWSA-N 1 3 309.498 2.462 20 0 DEADHO CCOC(=O)[C@]12C[N@H+](Cc3ccc(CC)s3)C[C@H]1CNCC2 ZINC001236040041 1084596683 /nfs/dbraw/zinc/59/66/83/1084596683.db2.gz DUODPBXFTIOBGL-CXAGYDPISA-N 1 3 322.474 2.285 20 0 DEADHO CCOC(=O)[C@]12C[N@@H+](Cc3ccc(CC)s3)C[C@H]1CNCC2 ZINC001236040041 1084596688 /nfs/dbraw/zinc/59/66/88/1084596688.db2.gz DUODPBXFTIOBGL-CXAGYDPISA-N 1 3 322.474 2.285 20 0 DEADHO CCOC(=O)c1ccc(CCC[N@H+]2C[C@H](N)C[C@H](C)C2)cc1 ZINC001236045025 1084598059 /nfs/dbraw/zinc/59/80/59/1084598059.db2.gz RNKWSDLKTIDHHI-WMLDXEAASA-N 1 3 304.434 2.465 20 0 DEADHO CCOC(=O)c1ccc(CCC[N@@H+]2C[C@H](N)C[C@H](C)C2)cc1 ZINC001236045025 1084598064 /nfs/dbraw/zinc/59/80/64/1084598064.db2.gz RNKWSDLKTIDHHI-WMLDXEAASA-N 1 3 304.434 2.465 20 0 DEADHO Fc1cccc(CC2CC[NH+](CC[C@H]3CNCCO3)CC2)c1 ZINC001236092146 1084611638 /nfs/dbraw/zinc/61/16/38/1084611638.db2.gz HWGPHTYPPXZRSU-SFHVURJKSA-N 1 3 306.425 2.459 20 0 DEADHO CCC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)N2CCCC2)C12CCC2 ZINC001078695651 1084828677 /nfs/dbraw/zinc/82/86/77/1084828677.db2.gz POCRYRSZOHZMFZ-HUUCEWRRSA-N 1 3 307.482 2.288 20 0 DEADHO C[NH+](C)CCN1C[C@]2(CC1=O)CCCCN2Cc1cccs1 ZINC001272932001 1084852662 /nfs/dbraw/zinc/85/26/62/1084852662.db2.gz HJVHCHQWUIUWNX-QGZVFWFLSA-N 1 3 321.490 2.267 20 0 DEADHO C[C@H](CN(C)C(=O)CN1CCC(C)CC1)[NH2+]Cc1ccsc1 ZINC001485938252 1085006991 /nfs/dbraw/zinc/00/69/91/1085006991.db2.gz NVNNVNNGOOHSCL-OAHLLOKOSA-N 1 3 323.506 2.417 20 0 DEADHO Cc1ccc(CN2CCC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]2C)cc1 ZINC001486178855 1085107838 /nfs/dbraw/zinc/10/78/38/1085107838.db2.gz GBRGYNAAPURFPN-FUHWJXTLSA-N 1 3 317.477 2.416 20 0 DEADHO CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961189192 1085629849 /nfs/dbraw/zinc/62/98/49/1085629849.db2.gz YJKGOFLJIFMTPS-HOTGVXAUSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961189192 1085629854 /nfs/dbraw/zinc/62/98/54/1085629854.db2.gz YJKGOFLJIFMTPS-HOTGVXAUSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961442305 1085734247 /nfs/dbraw/zinc/73/42/47/1085734247.db2.gz RLQWFKGYHLJOJF-GOSISDBHSA-N 1 3 321.509 2.443 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961442305 1085734254 /nfs/dbraw/zinc/73/42/54/1085734254.db2.gz RLQWFKGYHLJOJF-GOSISDBHSA-N 1 3 321.509 2.443 20 0 DEADHO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000963357881 1086423945 /nfs/dbraw/zinc/42/39/45/1086423945.db2.gz BGCRYOVLXIAHKW-SJORKVTESA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000963357881 1086423954 /nfs/dbraw/zinc/42/39/54/1086423954.db2.gz BGCRYOVLXIAHKW-SJORKVTESA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963367521 1086428553 /nfs/dbraw/zinc/42/85/53/1086428553.db2.gz QIPAARGYNJCQCG-WBVHZDCISA-N 1 3 318.465 2.455 20 0 DEADHO CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963367521 1086428557 /nfs/dbraw/zinc/42/85/57/1086428557.db2.gz QIPAARGYNJCQCG-WBVHZDCISA-N 1 3 318.465 2.455 20 0 DEADHO CCc1ccccc1C[NH2+]CCCNC(=O)CN(CC)CC ZINC001168754802 1086472707 /nfs/dbraw/zinc/47/27/07/1086472707.db2.gz BYSYSDFTLVLEMI-UHFFFAOYSA-N 1 3 305.466 2.187 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)N2CCN(CC3CCCCCC3)CC2)C1 ZINC000957649465 1088494183 /nfs/dbraw/zinc/49/41/83/1088494183.db2.gz KZSDTOKMKVXZEN-QGZVFWFLSA-N 1 3 307.482 2.053 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)N2CCN(CC3CCCCCC3)CC2)C1 ZINC000957649465 1088494188 /nfs/dbraw/zinc/49/41/88/1088494188.db2.gz KZSDTOKMKVXZEN-QGZVFWFLSA-N 1 3 307.482 2.053 20 0 DEADHO CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001080441755 1088946529 /nfs/dbraw/zinc/94/65/29/1088946529.db2.gz XZGLAJMGULFKSZ-CKEIUWERSA-N 1 3 313.461 2.045 20 0 DEADHO CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001080441755 1088946539 /nfs/dbraw/zinc/94/65/39/1088946539.db2.gz XZGLAJMGULFKSZ-CKEIUWERSA-N 1 3 313.461 2.045 20 0 DEADHO CN(C)CC[N@@H+]1CCC2(C1)CCN(Cc1cncc(F)c1)CC2 ZINC001276341461 1089102381 /nfs/dbraw/zinc/10/23/81/1089102381.db2.gz OIRXOGSCDWSWMJ-UHFFFAOYSA-N 1 3 320.456 2.070 20 0 DEADHO CN(C)CC[N@H+]1CCC2(C1)CCN(Cc1cncc(F)c1)CC2 ZINC001276341461 1089102395 /nfs/dbraw/zinc/10/23/95/1089102395.db2.gz OIRXOGSCDWSWMJ-UHFFFAOYSA-N 1 3 320.456 2.070 20 0 DEADHO CC[C@H](C(=O)N1CCc2ccccc2[C@@H]1C[NH2+]C(C)C)N(C)C ZINC000958791325 1089184671 /nfs/dbraw/zinc/18/46/71/1089184671.db2.gz PABHZKLCMFFNII-MSOLQXFVSA-N 1 3 317.477 2.451 20 0 DEADHO CC[NH2+]C[C@H]1c2ccccc2CCN1C(=O)CN1CCC[C@H]1C ZINC000958803142 1089192876 /nfs/dbraw/zinc/19/28/76/1089192876.db2.gz NGCLHSOXSOVRCT-QAPCUYQASA-N 1 3 315.461 2.206 20 0 DEADHO CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001080992474 1089278949 /nfs/dbraw/zinc/27/89/49/1089278949.db2.gz LSZHGBCSWLNEDP-RHSMWYFYSA-N 1 3 303.450 2.208 20 0 DEADHO CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001080992474 1089278958 /nfs/dbraw/zinc/27/89/58/1089278958.db2.gz LSZHGBCSWLNEDP-RHSMWYFYSA-N 1 3 303.450 2.208 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCC3)C[C@H]21 ZINC000959849910 1089792464 /nfs/dbraw/zinc/79/24/64/1089792464.db2.gz NHPWLPQPBSEHKI-XDNAFOTISA-N 1 3 319.493 2.096 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21 ZINC000959849910 1089792477 /nfs/dbraw/zinc/79/24/77/1089792477.db2.gz NHPWLPQPBSEHKI-XDNAFOTISA-N 1 3 319.493 2.096 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(C)C)C[C@H]21 ZINC001084475606 1090309137 /nfs/dbraw/zinc/30/91/37/1090309137.db2.gz UXKOXAMZIUXXHB-IXDOHACOSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(C)C)C[C@H]21 ZINC001084475606 1090309146 /nfs/dbraw/zinc/30/91/46/1090309146.db2.gz UXKOXAMZIUXXHB-IXDOHACOSA-N 1 3 307.482 2.048 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(CC)C[C@H]21 ZINC001084768123 1090432872 /nfs/dbraw/zinc/43/28/72/1090432872.db2.gz WEQVQWNJIRPJGU-IXDOHACOSA-N 1 3 307.482 2.194 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(CC)C[C@H]21 ZINC001084768123 1090432876 /nfs/dbraw/zinc/43/28/76/1090432876.db2.gz WEQVQWNJIRPJGU-IXDOHACOSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001084850057 1090477091 /nfs/dbraw/zinc/47/70/91/1090477091.db2.gz IBKSFJHPEMYMPW-QZTJIDSGSA-N 1 3 315.461 2.303 20 0 DEADHO CC(C)[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001084850057 1090477096 /nfs/dbraw/zinc/47/70/96/1090477096.db2.gz IBKSFJHPEMYMPW-QZTJIDSGSA-N 1 3 315.461 2.303 20 0 DEADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CC1CCC(C)CC1 ZINC001410443464 1090682426 /nfs/dbraw/zinc/68/24/26/1090682426.db2.gz DNKYDGLKWGUVBZ-SLTAFYQDSA-N 1 3 306.454 2.215 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001274299618 1091177325 /nfs/dbraw/zinc/17/73/25/1091177325.db2.gz VJQRGITWDHOUDX-NVXWUHKLSA-N 1 3 307.482 2.264 20 0 DEADHO CC[C@H](F)CNC/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001274414037 1091229890 /nfs/dbraw/zinc/22/98/90/1091229890.db2.gz QLOILLCDXDNENX-SHUKXNKTSA-N 1 3 313.461 2.259 20 0 DEADHO CC[C@H](F)CNC/C=C\CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001274414037 1091229901 /nfs/dbraw/zinc/22/99/01/1091229901.db2.gz QLOILLCDXDNENX-SHUKXNKTSA-N 1 3 313.461 2.259 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@@H](C)CC[NH+](C)C)N(C)C)cc1 ZINC001412470157 1091431563 /nfs/dbraw/zinc/43/15/63/1091431563.db2.gz HRBCJGIEIMMYEO-DOTOQJQBSA-N 1 3 305.466 2.302 20 0 DEADHO C[C@H](F)CC[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001275009910 1091512861 /nfs/dbraw/zinc/51/28/61/1091512861.db2.gz QNOLDUNSYNSJSC-HOCLYGCPSA-N 1 3 313.461 2.190 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@H]1CNCCF)[NH+](CC)CC ZINC001275030851 1091520802 /nfs/dbraw/zinc/52/08/02/1091520802.db2.gz AEQHXNYHVLCFIL-LSDHHAIUSA-N 1 3 301.450 2.047 20 0 DEADHO CCCC[C@H](CC)CN1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001275077323 1091545414 /nfs/dbraw/zinc/54/54/14/1091545414.db2.gz RFXFSBVIAPZDNX-OKZBNKHCSA-N 1 3 311.514 2.149 20 0 DEADHO c1c[nH]c(CN2C[C@H]3C[C@@H](C2)[N@H+](Cc2ncn4ccccc24)C3)c1 ZINC001275137145 1091580818 /nfs/dbraw/zinc/58/08/18/1091580818.db2.gz PPUKOXXLCWQOSR-WBVHZDCISA-N 1 3 321.428 2.369 20 0 DEADHO c1c[nH]c(CN2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ncn4ccccc24)C3)c1 ZINC001275137145 1091580825 /nfs/dbraw/zinc/58/08/25/1091580825.db2.gz PPUKOXXLCWQOSR-WBVHZDCISA-N 1 3 321.428 2.369 20 0 DEADHO c1nc(CN2CCC3(CCC[N@H+](Cc4cn[nH]c4)C3)CC2)c[nH]1 ZINC001276203135 1091685935 /nfs/dbraw/zinc/68/59/35/1091685935.db2.gz LOXSKKFLTIREPA-UHFFFAOYSA-N 1 3 314.437 2.011 20 0 DEADHO c1nc(CN2CCC3(CCC[N@@H+](Cc4cn[nH]c4)C3)CC2)c[nH]1 ZINC001276203135 1091685945 /nfs/dbraw/zinc/68/59/45/1091685945.db2.gz LOXSKKFLTIREPA-UHFFFAOYSA-N 1 3 314.437 2.011 20 0 DEADHO Cc1cc(O)cc(CN2CCCC3(CN(CC[NH+](C)C)C3)C2)c1 ZINC001275593768 1091895206 /nfs/dbraw/zinc/89/52/06/1091895206.db2.gz HIEGQWRJSVDTJM-UHFFFAOYSA-N 1 3 317.477 2.160 20 0 DEADHO CC1CCN(CCNC(=O)c2cccc(CC[NH+](C)C)c2)CC1 ZINC001411640848 1091950360 /nfs/dbraw/zinc/95/03/60/1091950360.db2.gz ABSDXNWLUMXMQQ-UHFFFAOYSA-N 1 3 317.477 2.252 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC001411643846 1091956941 /nfs/dbraw/zinc/95/69/41/1091956941.db2.gz RFGXKFKJWMIHJH-UHFFFAOYSA-N 1 3 312.417 2.173 20 0 DEADHO CCCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001275819134 1092175444 /nfs/dbraw/zinc/17/54/44/1092175444.db2.gz ZXSDPCRXBOINAU-HUUCEWRRSA-N 1 3 306.454 2.325 20 0 DEADHO C[NH+](C)CCN1CC2(C1)CCCN(Cc1ccc(F)cc1)C2 ZINC001275828681 1092190609 /nfs/dbraw/zinc/19/06/09/1092190609.db2.gz FHYKTRQJVPACQB-UHFFFAOYSA-N 1 3 305.441 2.285 20 0 DEADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](Cc1cccs1)CC2 ZINC001275857649 1092242138 /nfs/dbraw/zinc/24/21/38/1092242138.db2.gz ILCQEYCTKLSBFT-UHFFFAOYSA-N 1 3 321.490 2.124 20 0 DEADHO CC[C@@H](C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001488915898 1092815391 /nfs/dbraw/zinc/81/53/91/1092815391.db2.gz KJDQJVPDBCWECA-OWCLPIDISA-N 1 3 309.498 2.391 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2CCC[N@H+](CCC)[C@@H]2C1(C)C ZINC001489084396 1092908733 /nfs/dbraw/zinc/90/87/33/1092908733.db2.gz HLOHCKYKFZMDNR-OIISXLGYSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2CCC[N@@H+](CCC)[C@@H]2C1(C)C ZINC001489084396 1092908740 /nfs/dbraw/zinc/90/87/40/1092908740.db2.gz HLOHCKYKFZMDNR-OIISXLGYSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[N@H+](C)CC[C@H](C)F ZINC001489330298 1093024047 /nfs/dbraw/zinc/02/40/47/1093024047.db2.gz IXJGFQLAUSGIHL-HOTGVXAUSA-N 1 3 315.477 2.389 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[N@@H+](C)CC[C@H](C)F ZINC001489330298 1093024053 /nfs/dbraw/zinc/02/40/53/1093024053.db2.gz IXJGFQLAUSGIHL-HOTGVXAUSA-N 1 3 315.477 2.389 20 0 DEADHO CC(C)=CC[NH2+]C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001202527151 1093628092 /nfs/dbraw/zinc/62/80/92/1093628092.db2.gz YXXXUWJQPJLLEH-UHFFFAOYSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)(C)CN(Cc1nc2c(s1)CNCC2)C1CC[NH2+]CC1 ZINC001236459563 1138365555 /nfs/dbraw/zinc/36/55/55/1138365555.db2.gz VAXXGCLPWDEXHR-UHFFFAOYSA-N 1 3 322.522 2.389 20 0 DEADHO C[NH+]1CCC2(CCN(Cc3sc(=O)[nH]c3Cl)C2)CC1 ZINC001237164386 1138512460 /nfs/dbraw/zinc/51/24/60/1138512460.db2.gz JCHAGWHXKHKTMY-UHFFFAOYSA-N 1 3 301.843 2.420 20 0 DEADHO Cc1ncsc1CN1CC2(C1)CCCN(CCC[NH+](C)C)C2 ZINC001278049755 1138500865 /nfs/dbraw/zinc/50/08/65/1138500865.db2.gz PVTHJGFXUHTSOV-UHFFFAOYSA-N 1 3 322.522 2.301 20 0 DEADHO Cc1ncsc1CN1CC2(C1)CCC[N@@H+](CCCN(C)C)C2 ZINC001278049755 1138500878 /nfs/dbraw/zinc/50/08/78/1138500878.db2.gz PVTHJGFXUHTSOV-UHFFFAOYSA-N 1 3 322.522 2.301 20 0 DEADHO Cc1ncsc1CN1CC2(C1)CCC[N@H+](CCCN(C)C)C2 ZINC001278049755 1138500888 /nfs/dbraw/zinc/50/08/88/1138500888.db2.gz PVTHJGFXUHTSOV-UHFFFAOYSA-N 1 3 322.522 2.301 20 0 DEADHO COc1ccc2c(c1)[nH]nc2CN1CCC2(C1)CC[NH+](C)CC2 ZINC001237391658 1138604745 /nfs/dbraw/zinc/60/47/45/1138604745.db2.gz JWDKYVSDRHKWCH-UHFFFAOYSA-N 1 3 314.433 2.489 20 0 DEADHO CCOC(=O)[C@H]1CN(Cc2ccc(C)cc2F)CCC12C[NH2+]C2 ZINC001237429723 1138620811 /nfs/dbraw/zinc/62/08/11/1138620811.db2.gz ISKNMNNCPDFGJA-OAHLLOKOSA-N 1 3 320.408 2.109 20 0 DEADHO CC(C)(C)C(=O)Nc1ccc(CN)nc1C1=CCC[NH2+]CC1 ZINC001238938148 1138889248 /nfs/dbraw/zinc/88/92/48/1138889248.db2.gz IJDYERPAACMDAC-UHFFFAOYSA-N 1 3 302.422 2.292 20 0 DEADHO c1ccc(CN2CC=C(c3ncc4c(n3)CC[NH2+]C4)CC2)cc1 ZINC001241501539 1139822368 /nfs/dbraw/zinc/82/23/68/1139822368.db2.gz LKPGELKZWLXMSK-UHFFFAOYSA-N 1 3 306.413 2.412 20 0 DEADHO CN1CCCC[C@@H](C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC001336015549 1140039593 /nfs/dbraw/zinc/03/95/93/1140039593.db2.gz DJWMZXOZWZJBIN-QWRGUYRKSA-N 1 3 318.330 2.257 20 0 DEADHO C[C@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCC1CC1 ZINC001491579982 1140171555 /nfs/dbraw/zinc/17/15/55/1140171555.db2.gz PJEULYVUMRWBPL-DYVFJYSZSA-N 1 3 313.461 2.093 20 0 DEADHO CC[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)NCCF ZINC001421449060 1171804823 /nfs/dbraw/zinc/80/48/23/1171804823.db2.gz HJTVWEZOJFMSSD-GDBMZVCRSA-N 1 3 313.461 2.237 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001491685172 1140250186 /nfs/dbraw/zinc/25/01/86/1140250186.db2.gz YAPPFOPPKQENCV-CQSZACIVSA-N 1 3 317.433 2.367 20 0 DEADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC1=CCCCC1 ZINC001318532072 1140361017 /nfs/dbraw/zinc/36/10/17/1140361017.db2.gz XOXDHQCSFXJZGX-INIZCTEOSA-N 1 3 307.482 2.456 20 0 DEADHO C[NH2+]Cc1cccc(-c2cnccc2N2CCOCC2)c1F ZINC001244861360 1140489018 /nfs/dbraw/zinc/48/90/18/1140489018.db2.gz AOHOUUGRWVMYBZ-UHFFFAOYSA-N 1 3 301.365 2.444 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@@H]1CC[NH2+]C/C=C/Cl)N(C)C ZINC001319788989 1140716773 /nfs/dbraw/zinc/71/67/73/1140716773.db2.gz VLERZSPEUHLYJU-FSQQNCNXSA-N 1 3 315.889 2.440 20 0 DEADHO C[C@@H]1C[NH2+]C[C@@H]1CNC[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001245976161 1140840717 /nfs/dbraw/zinc/84/07/17/1140840717.db2.gz BNBIQWVNDYOARZ-BFYDXBDKSA-N 1 3 320.477 2.169 20 0 DEADHO CC(C)(C)c1ccc(OC[C@@H](O)CNCC(C)(C)C[NH3+])cc1 ZINC001246005578 1140845072 /nfs/dbraw/zinc/84/50/72/1140845072.db2.gz VPDKIFCUBMSFEB-HNNXBMFYSA-N 1 3 308.466 2.298 20 0 DEADHO F[C@@H]1CNCC[C@@H]1N[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001246085853 1140858867 /nfs/dbraw/zinc/85/88/67/1140858867.db2.gz JMWXWKAAMUAEPZ-KURKYZTESA-N 1 3 305.441 2.331 20 0 DEADHO F[C@@H]1CNCC[C@@H]1N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246085853 1140858869 /nfs/dbraw/zinc/85/88/69/1140858869.db2.gz JMWXWKAAMUAEPZ-KURKYZTESA-N 1 3 305.441 2.331 20 0 DEADHO Cc1cc(F)ccc1[C@@H]1C[C@H](N[C@H]2CCNC[C@@H]2F)CC[NH2+]1 ZINC001246091941 1140860338 /nfs/dbraw/zinc/86/03/38/1140860338.db2.gz HWHIFQVVOPIENA-IWCQGFGOSA-N 1 3 309.404 2.217 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@H]1CN[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001246121735 1140863238 /nfs/dbraw/zinc/86/32/38/1140863238.db2.gz SELYWJQCVMSXIR-NJAFHUGGSA-N 1 3 315.461 2.126 20 0 DEADHO C[C@H](Cc1c(F)cccc1Cl)N[C@@H]1[C@H]2C[NH2+]C[C@@H]1COC2 ZINC001246152450 1140867350 /nfs/dbraw/zinc/86/73/50/1140867350.db2.gz XPHWESHFWGJZAU-YMEQNVIZSA-N 1 3 312.816 2.234 20 0 DEADHO C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@@H]1[C@H]2CNC[C@@H]1COC2 ZINC001246152450 1140867351 /nfs/dbraw/zinc/86/73/51/1140867351.db2.gz XPHWESHFWGJZAU-YMEQNVIZSA-N 1 3 312.816 2.234 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccc(F)cc3)CC2)CCN1 ZINC001246181295 1140870098 /nfs/dbraw/zinc/87/00/98/1140870098.db2.gz SYRSTJYXPVFGAS-CXAGYDPISA-N 1 3 319.424 2.160 20 0 DEADHO COc1ccccc1CN1CCC([NH2+][C@H]2CC[C@@H](C)NC2)CC1 ZINC001246177659 1140870547 /nfs/dbraw/zinc/87/05/47/1140870547.db2.gz CRDCLSOCWGSHTK-QAPCUYQASA-N 1 3 317.477 2.390 20 0 DEADHO COc1ccccc1C1(C[NH2+][C@@H]2CCN[C@H](C)C2)CCOCC1 ZINC001246268057 1140879978 /nfs/dbraw/zinc/87/99/78/1140879978.db2.gz GYPUTENNICTSLY-HZPDHXFCSA-N 1 3 318.461 2.474 20 0 DEADHO Fc1ccc(F)c(CN2CCC(N[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC001246355007 1140887702 /nfs/dbraw/zinc/88/77/02/1140887702.db2.gz KZSQIWSZTDOUPP-MRXNPFEDSA-N 1 3 309.404 2.271 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CC2(Cc3ccccn3)CCOCC2)CCN1 ZINC001246386195 1140892175 /nfs/dbraw/zinc/89/21/75/1140892175.db2.gz GADSZTOMJVEHBG-HOTGVXAUSA-N 1 3 303.450 2.151 20 0 DEADHO CCN(CC[NH2+]Cc1cccc(C)c1)C(=O)[C@H]1CCCN1C ZINC001320811493 1140933781 /nfs/dbraw/zinc/93/37/81/1140933781.db2.gz OKBAQHCFKSFRLU-QGZVFWFLSA-N 1 3 303.450 2.027 20 0 DEADHO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3[C@@H]2CCN[C@@H](C)C2)o1 ZINC001246700308 1141038051 /nfs/dbraw/zinc/03/80/51/1141038051.db2.gz CFQWKLSSLPOBIR-UNQWWWNPSA-N 1 3 303.450 2.377 20 0 DEADHO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3[C@@H]2CCN[C@@H](C)C2)o1 ZINC001246700308 1141038064 /nfs/dbraw/zinc/03/80/64/1141038064.db2.gz CFQWKLSSLPOBIR-UNQWWWNPSA-N 1 3 303.450 2.377 20 0 DEADHO C[C@H]1C[C@H]([N@@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)CCN1 ZINC001246727234 1141046475 /nfs/dbraw/zinc/04/64/75/1141046475.db2.gz VTDHUJCPTQNEPR-CZIOMAOESA-N 1 3 308.466 2.175 20 0 DEADHO C[C@H]1C[C@H]([N@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)CCN1 ZINC001246727234 1141046487 /nfs/dbraw/zinc/04/64/87/1141046487.db2.gz VTDHUJCPTQNEPR-CZIOMAOESA-N 1 3 308.466 2.175 20 0 DEADHO Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2C[C@H]3CC[C@]3(N)C2)CCN1 ZINC001246855268 1141089818 /nfs/dbraw/zinc/08/98/18/1141089818.db2.gz UEPXMJSDKDIKIT-WCZJQEMASA-N 1 3 303.425 2.350 20 0 DEADHO Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2C[C@H]3CC[C@]3(N)C2)CCN1 ZINC001246855268 1141089830 /nfs/dbraw/zinc/08/98/30/1141089830.db2.gz UEPXMJSDKDIKIT-WCZJQEMASA-N 1 3 303.425 2.350 20 0 DEADHO CCOC(=O)c1ccc(C[C@H](C)N2CC[C@H](C[NH2+]C)C2)cc1 ZINC001246861866 1141092683 /nfs/dbraw/zinc/09/26/83/1141092683.db2.gz FNOLYGQLYOPJIB-GOEBONIOSA-N 1 3 304.434 2.336 20 0 DEADHO C[C@H]1CCN(CC(=O)NC/C=C\C[NH2+]CCC2=CCCCC2)C1 ZINC001321249093 1141098287 /nfs/dbraw/zinc/09/82/87/1141098287.db2.gz ICARMNSJVNRLAG-OSJSJHBBSA-N 1 3 319.493 2.481 20 0 DEADHO CC[C@@H](F)CNC/C=C\CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001321315548 1141148559 /nfs/dbraw/zinc/14/85/59/1141148559.db2.gz OTMGMFJKBXTDLX-OGZRUICASA-N 1 3 313.461 2.117 20 0 DEADHO FC(F)(F)[C@H]1CN(C2CCC3(CCC[NH2+]C3)CC2)CCN1 ZINC001246993032 1141231707 /nfs/dbraw/zinc/23/17/07/1141231707.db2.gz SGTIQOGHHXTVFP-ROKHWSDSSA-N 1 3 305.388 2.135 20 0 DEADHO CCc1ccccc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001322442471 1141589280 /nfs/dbraw/zinc/58/92/80/1141589280.db2.gz MELMXZKUHIEXFV-SFHVURJKSA-N 1 3 317.477 2.281 20 0 DEADHO Cc1cc(CNCc2ccc(OCCC[NH+](C)C)cc2)n[nH]1 ZINC001322611739 1141647653 /nfs/dbraw/zinc/64/76/53/1141647653.db2.gz ULWQBSXSOPKXJW-UHFFFAOYSA-N 1 3 302.422 2.338 20 0 DEADHO Cc1cc(C[NH2+]CCCN(C)C(=O)Cc2c[nH]cn2)c(C)s1 ZINC001322711341 1141694802 /nfs/dbraw/zinc/69/48/02/1141694802.db2.gz TUOJRHWLCCCQFU-UHFFFAOYSA-N 1 3 320.462 2.269 20 0 DEADHO CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001278556581 1142095866 /nfs/dbraw/zinc/09/58/66/1142095866.db2.gz SDJLIBAZLPCXPP-FUHWJXTLSA-N 1 3 309.498 2.488 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@@H](O)COc1ccc(F)cc1)C2 ZINC001251945629 1142559257 /nfs/dbraw/zinc/55/92/57/1142559257.db2.gz CVLATVFEABOSHE-YYIAUSFCSA-N 1 3 322.424 2.170 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@@H](O)COc1ccc(F)cc1)C2 ZINC001251945629 1142559270 /nfs/dbraw/zinc/55/92/70/1142559270.db2.gz CVLATVFEABOSHE-YYIAUSFCSA-N 1 3 322.424 2.170 20 0 DEADHO C[NH+](C)[C@H]1C[C@H](NC[C@@H](O)CCOCc2ccccc2)C1(C)C ZINC001336835072 1142590353 /nfs/dbraw/zinc/59/03/53/1142590353.db2.gz ZKFXCYJFBHNRIT-BZSNNMDCSA-N 1 3 320.477 2.273 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@H]2CN(CN3CC4(CCCC4)CC3=O)C[C@@H]2C1 ZINC001337804784 1142802567 /nfs/dbraw/zinc/80/25/67/1142802567.db2.gz GHULGHHFHPAPSB-YESZJQIVSA-N 1 3 319.493 2.399 20 0 DEADHO COCC(C)(C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254048751 1143031100 /nfs/dbraw/zinc/03/11/00/1143031100.db2.gz WZSLMIDQXCEOSK-UHFFFAOYSA-N 1 3 306.450 2.028 20 0 DEADHO CCOc1ccc(-c2cn(CCCC[NH2+]CCCN)nn2)cc1 ZINC001254163692 1143050787 /nfs/dbraw/zinc/05/07/87/1143050787.db2.gz WBFAFWLJLGEYPG-UHFFFAOYSA-N 1 3 317.437 2.062 20 0 DEADHO NCCC[NH2+]CCCCn1cc(-c2cc3ccccc3cn2)nn1 ZINC001254162695 1143051011 /nfs/dbraw/zinc/05/10/11/1143051011.db2.gz GJZDKQYKBOKVEF-UHFFFAOYSA-N 1 3 324.432 2.212 20 0 DEADHO CC(=O)N1CCC(N2CCC([NH3+])(Cc3ccccc3)CC2)CC1 ZINC001254420801 1143110617 /nfs/dbraw/zinc/11/06/17/1143110617.db2.gz UUEYEXSYQNHXNR-UHFFFAOYSA-N 1 3 315.461 2.033 20 0 DEADHO CN(C)CC[NH+](CCN(C)C)C1CCc2ccccc2CC1 ZINC001254460345 1143126001 /nfs/dbraw/zinc/12/60/01/1143126001.db2.gz DZAXTKQCVHIPTA-UHFFFAOYSA-N 1 3 303.494 2.359 20 0 DEADHO COC(=O)CCc1ccc(C[NH2+][C@H]2CCCN(C)CC2)cc1 ZINC001254507761 1143153194 /nfs/dbraw/zinc/15/31/94/1143153194.db2.gz DAQOPBFMARGFQA-KRWDZBQOSA-N 1 3 304.434 2.366 20 0 DEADHO COC(=O)CCc1ccc(CN[C@H]2CCC[N@H+](C)CC2)cc1 ZINC001254507761 1143153204 /nfs/dbraw/zinc/15/32/04/1143153204.db2.gz DAQOPBFMARGFQA-KRWDZBQOSA-N 1 3 304.434 2.366 20 0 DEADHO COC(=O)CCc1ccc(CN[C@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254507761 1143153221 /nfs/dbraw/zinc/15/32/21/1143153221.db2.gz DAQOPBFMARGFQA-KRWDZBQOSA-N 1 3 304.434 2.366 20 0 DEADHO COC(=O)[C@H]1C[N@@H+]([C@H]2CCCN(C)CC2)Cc2ccccc21 ZINC001254531879 1143232480 /nfs/dbraw/zinc/23/24/80/1143232480.db2.gz MKPSEGAWFCDCDB-RDJZCZTQSA-N 1 3 302.418 2.243 20 0 DEADHO COC(=O)[C@H]1C[N@H+]([C@H]2CCCN(C)CC2)Cc2ccccc21 ZINC001254531879 1143232494 /nfs/dbraw/zinc/23/24/94/1143232494.db2.gz MKPSEGAWFCDCDB-RDJZCZTQSA-N 1 3 302.418 2.243 20 0 DEADHO F[C@H]1CN([C@@H]2CC3CC[NH+](CC3)C2)CC[C@@H]1N1CCCCC1 ZINC001254866737 1143346126 /nfs/dbraw/zinc/34/61/26/1143346126.db2.gz STWNAYZPRVQYLS-SQNIBIBYSA-N 1 3 309.473 2.369 20 0 DEADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(N(C)C)CC1)C2 ZINC001255200784 1143490791 /nfs/dbraw/zinc/49/07/91/1143490791.db2.gz QNOCUYPLNOXGMR-ZSHCYNCHSA-N 1 3 309.454 2.164 20 0 DEADHO CN1CC[C@@H]([N@H+](Cc2ccc(F)cc2)C2CCN(C)CC2)C1 ZINC001255443793 1143634197 /nfs/dbraw/zinc/63/41/97/1143634197.db2.gz WKFUYHVEYXJACI-GOSISDBHSA-N 1 3 305.441 2.426 20 0 DEADHO CN1CC[C@@H]([N@@H+](Cc2ccc(F)cc2)C2CCN(C)CC2)C1 ZINC001255443793 1143634207 /nfs/dbraw/zinc/63/42/07/1143634207.db2.gz WKFUYHVEYXJACI-GOSISDBHSA-N 1 3 305.441 2.426 20 0 DEADHO CCCCN(C)CCC[NH2+]C1CCN(C(=O)C(F)(F)F)CC1 ZINC001255969814 1143817927 /nfs/dbraw/zinc/81/79/27/1143817927.db2.gz FWJNBEFBUDFMMI-UHFFFAOYSA-N 1 3 323.403 2.251 20 0 DEADHO CC(C)C(=O)N1CCC[C@@]12CCN(C1CC[NH+](C3CC3)CC1)C2 ZINC001256078480 1143828502 /nfs/dbraw/zinc/82/85/02/1143828502.db2.gz YHVYYQXCXMALOU-IBGZPJMESA-N 1 3 319.493 2.336 20 0 DEADHO CN(C(=O)c1ccccc1)C1CCN(C2CC[NH+](C)CC2)CC1 ZINC001256209136 1143836625 /nfs/dbraw/zinc/83/66/25/1143836625.db2.gz MKIQCABSFFOVTH-UHFFFAOYSA-N 1 3 315.461 2.317 20 0 DEADHO COCCC1([NH3+])CCN([C@H]2CCc3c(cccc3OC)C2)CC1 ZINC001256641709 1143859593 /nfs/dbraw/zinc/85/95/93/1143859593.db2.gz JCKKIZRKPOLIFT-INIZCTEOSA-N 1 3 318.461 2.382 20 0 DEADHO c1cncc(CCC[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256681750 1143861789 /nfs/dbraw/zinc/86/17/89/1143861789.db2.gz BEVOLBJOMMJVGU-UHFFFAOYSA-N 1 3 303.450 2.247 20 0 DEADHO CCC(CC)N1CC[C@H]([NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001256680797 1143861849 /nfs/dbraw/zinc/86/18/49/1143861849.db2.gz DHOHHPOFDZJQQO-HFCFLWKCSA-N 1 3 323.525 2.482 20 0 DEADHO CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCC(N)(c3cccnc3)CC2)C1 ZINC001257049545 1143883004 /nfs/dbraw/zinc/88/30/04/1143883004.db2.gz WYVAJANFQMFNDR-GOEBONIOSA-N 1 3 317.433 2.063 20 0 DEADHO CC(C)[NH+]1CCC(NCCC(=O)NCc2ccccc2)CC1 ZINC001257207700 1143892945 /nfs/dbraw/zinc/89/29/45/1143892945.db2.gz CYLAEJBBBMPUAP-UHFFFAOYSA-N 1 3 303.450 2.155 20 0 DEADHO CCC[NH+]1CCC(N2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)CC1 ZINC001258776550 1144041303 /nfs/dbraw/zinc/04/13/03/1144041303.db2.gz DMLDDWFOYZEVEN-ZBFHGGJFSA-N 1 3 323.481 2.412 20 0 DEADHO CC[NH+](CC)CCC[C@H](C)N1CCN(c2cnccn2)CC1 ZINC001258907092 1144053090 /nfs/dbraw/zinc/05/30/90/1144053090.db2.gz FLVDQWHJFYIUSB-INIZCTEOSA-N 1 3 305.470 2.109 20 0 DEADHO CC[C@H](C(=O)NCCC[N@H+](C)Cc1ccccc1C)N(C)C ZINC001265059910 1144634165 /nfs/dbraw/zinc/63/41/65/1144634165.db2.gz ONBWQDLTTVUIRC-QGZVFWFLSA-N 1 3 305.466 2.273 20 0 DEADHO CC[C@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1C)N(C)C ZINC001265059910 1144634167 /nfs/dbraw/zinc/63/41/67/1144634167.db2.gz ONBWQDLTTVUIRC-QGZVFWFLSA-N 1 3 305.466 2.273 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CCCF ZINC001265094307 1144641723 /nfs/dbraw/zinc/64/17/23/1144641723.db2.gz CZZUTGCKSWGCFA-LSDHHAIUSA-N 1 3 301.450 2.045 20 0 DEADHO CCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001265396810 1144702138 /nfs/dbraw/zinc/70/21/38/1144702138.db2.gz LVHOWUNEQCDFFH-HNNXBMFYSA-N 1 3 306.454 2.313 20 0 DEADHO CCCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001265396810 1144702139 /nfs/dbraw/zinc/70/21/39/1144702139.db2.gz LVHOWUNEQCDFFH-HNNXBMFYSA-N 1 3 306.454 2.313 20 0 DEADHO CC[C@H](C(=O)NCCC[C@H]1CCC[N@@H+]1C/C=C\Cl)N(C)C ZINC001266223665 1144816209 /nfs/dbraw/zinc/81/62/09/1144816209.db2.gz VBNVXMQPRMUCGO-KZMHERFSSA-N 1 3 315.889 2.440 20 0 DEADHO CC[C@H](C(=O)NCCC[C@H]1CCC[N@H+]1C/C=C\Cl)N(C)C ZINC001266223665 1144816210 /nfs/dbraw/zinc/81/62/10/1144816210.db2.gz VBNVXMQPRMUCGO-KZMHERFSSA-N 1 3 315.889 2.440 20 0 DEADHO CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001279289088 1144820248 /nfs/dbraw/zinc/82/02/48/1144820248.db2.gz YUMVXMMJVQSWSS-BRWVUGGUSA-N 1 3 311.514 2.495 20 0 DEADHO CC[C@H](C)C[NH2+]CC[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001280074410 1144831738 /nfs/dbraw/zinc/83/17/38/1144831738.db2.gz UGININPVVYRDFG-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO CC1(N2CCC2)CC[NH+](C[C@@H]2CCC[C@]3(CCOC3)O2)CC1 ZINC001364786376 1145565363 /nfs/dbraw/zinc/56/53/63/1145565363.db2.gz PLRKBPAVMULVKZ-FUHWJXTLSA-N 1 3 308.466 2.275 20 0 DEADHO CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC001365184642 1145817586 /nfs/dbraw/zinc/81/75/86/1145817586.db2.gz NFZHYMACMSGNOJ-MRXNPFEDSA-N 1 3 314.433 2.457 20 0 DEADHO CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC001365184642 1145817588 /nfs/dbraw/zinc/81/75/88/1145817588.db2.gz NFZHYMACMSGNOJ-MRXNPFEDSA-N 1 3 314.433 2.457 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCC2CC2)C1)N1CCCC1 ZINC001366005917 1147004328 /nfs/dbraw/zinc/00/43/28/1147004328.db2.gz TYLHLHPJOXXDHT-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CCC2CC2)C1)N1CCCC1 ZINC001366005917 1147004336 /nfs/dbraw/zinc/00/43/36/1147004336.db2.gz TYLHLHPJOXXDHT-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)CCCF)C1)N(C)C ZINC001366069593 1147039371 /nfs/dbraw/zinc/03/93/71/1147039371.db2.gz CLNWJIVNMBUVJK-JKSUJKDBSA-N 1 3 315.477 2.103 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CCCF)C1)N(C)C ZINC001366069593 1147039376 /nfs/dbraw/zinc/03/93/76/1147039376.db2.gz CLNWJIVNMBUVJK-JKSUJKDBSA-N 1 3 315.477 2.103 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C)cc2)C1)N(C)C ZINC001366133598 1147071474 /nfs/dbraw/zinc/07/14/74/1147071474.db2.gz KFOKRFGAGPCVOC-ULQDDVLXSA-N 1 3 303.450 2.072 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1)N(C)C ZINC001366165157 1147087093 /nfs/dbraw/zinc/08/70/93/1147087093.db2.gz ZSRJICSEKNRGAJ-CYGHRXIMSA-N 1 3 315.461 2.251 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC001366166778 1147087918 /nfs/dbraw/zinc/08/79/18/1147087918.db2.gz LXNINSNESZKSEU-JZXOWHBKSA-N 1 3 315.461 2.253 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CCCC[N@@H+]1CCCF)N1CCCC1 ZINC001366208452 1147116327 /nfs/dbraw/zinc/11/63/27/1147116327.db2.gz IKKMQJOQJLGCQC-OAHLLOKOSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CCCC[N@H+]1CCCF)N1CCCC1 ZINC001366208452 1147116342 /nfs/dbraw/zinc/11/63/42/1147116342.db2.gz IKKMQJOQJLGCQC-OAHLLOKOSA-N 1 3 313.461 2.191 20 0 DEADHO CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001366409759 1147256005 /nfs/dbraw/zinc/25/60/05/1147256005.db2.gz IZIVJEAMKKDIEY-IRXDYDNUSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccccc1)N(C)C ZINC001366464689 1147296353 /nfs/dbraw/zinc/29/63/53/1147296353.db2.gz RBENIQPRTFBSKN-RDJZCZTQSA-N 1 3 305.466 2.257 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[N@H+](C)CC1CC(C)C1 ZINC001366571074 1147363326 /nfs/dbraw/zinc/36/33/26/1147363326.db2.gz QIZDJHAIEBZMMQ-OFLPRAFFSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[N@@H+](C)CC1CC(C)C1 ZINC001366571074 1147363333 /nfs/dbraw/zinc/36/33/33/1147363333.db2.gz QIZDJHAIEBZMMQ-OFLPRAFFSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CCC1)N(CC)CC ZINC001366663656 1147455742 /nfs/dbraw/zinc/45/57/42/1147455742.db2.gz BJPAFWBSPGEDPZ-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CCC1)N(CC)CC ZINC001366663656 1147455763 /nfs/dbraw/zinc/45/57/63/1147455763.db2.gz BJPAFWBSPGEDPZ-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CC1)N1CCCC1 ZINC001366677702 1147472066 /nfs/dbraw/zinc/47/20/66/1147472066.db2.gz PNMSQOMCLPKQFO-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1CC1)N1CCCC1 ZINC001366677702 1147472071 /nfs/dbraw/zinc/47/20/71/1147472071.db2.gz PNMSQOMCLPKQFO-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001316757706 1147595048 /nfs/dbraw/zinc/59/50/48/1147595048.db2.gz XYTXOSOZCISDKU-JNXQLMTMSA-N 1 3 316.449 2.089 20 0 DEADHO CC/C=C\CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001316757706 1147595051 /nfs/dbraw/zinc/59/50/51/1147595051.db2.gz XYTXOSOZCISDKU-JNXQLMTMSA-N 1 3 316.449 2.089 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H]([NH2+]CCCCCF)C1 ZINC001317096272 1147659164 /nfs/dbraw/zinc/65/91/64/1147659164.db2.gz CWFOICOETNUXKF-VGWMRTNUSA-N 1 3 313.461 2.236 20 0 DEADHO CN(CC(=O)N[C@@](C)(C[NH2+]CC1CC1)C1CC1)CC(C)(C)C ZINC001367176617 1147660621 /nfs/dbraw/zinc/66/06/21/1147660621.db2.gz LVZSRRIEILIMHI-SFHVURJKSA-N 1 3 309.498 2.249 20 0 DEADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+]CC1CC2(CCC2)C1 ZINC001367399424 1147689244 /nfs/dbraw/zinc/68/92/44/1147689244.db2.gz KEWBOOWPSRWJSR-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]C/C=C\Cl ZINC001367493567 1147701858 /nfs/dbraw/zinc/70/18/58/1147701858.db2.gz YBLICJWRAVSLAK-DANTVBBOSA-N 1 3 315.889 2.344 20 0 DEADHO CN(CC[NH2+]CC/C=C/c1ccccc1)C(=O)[C@@H]1CCCN1C ZINC001317573479 1147727133 /nfs/dbraw/zinc/72/71/33/1147727133.db2.gz PNCDUNAITFLUSV-QKIXSCASSA-N 1 3 315.461 2.232 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C)cc1 ZINC001367775595 1147741204 /nfs/dbraw/zinc/74/12/04/1147741204.db2.gz RQYLBOJNBHKQPS-WMZOPIPTSA-N 1 3 317.477 2.464 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccsc1 ZINC001367774721 1147741300 /nfs/dbraw/zinc/74/13/00/1147741300.db2.gz MYAIRZQVMJTSLT-ZFWWWQNUSA-N 1 3 309.479 2.217 20 0 DEADHO Cc1cc(F)ccc1CN(C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001367839292 1147757308 /nfs/dbraw/zinc/75/73/08/1147757308.db2.gz XTKDGMXYNZDJLB-CQSZACIVSA-N 1 3 309.429 2.022 20 0 DEADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)CCC[NH+]1CCCC1 ZINC001367859949 1147762683 /nfs/dbraw/zinc/76/26/83/1147762683.db2.gz ISUIHXNRWNFHMX-KRWDZBQOSA-N 1 3 317.477 2.499 20 0 DEADHO CC(C)CCN1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001367974581 1147811518 /nfs/dbraw/zinc/81/15/18/1147811518.db2.gz FGVWWONBGTUBHL-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@](C)(C[NH2+]CC2CC(C)C2)C1 ZINC001368201883 1148321816 /nfs/dbraw/zinc/32/18/16/1148321816.db2.gz DCEMHTZDSGURJM-HTWSVDAQSA-N 1 3 309.498 2.201 20 0 DEADHO CN(C)Cc1ccc(C(=O)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000278487958 214187345 /nfs/dbraw/zinc/18/73/45/214187345.db2.gz GICBFNFJZHPAIU-UHFFFAOYSA-N 1 3 315.461 2.352 20 0 DEADHO OC1(CN2C[C@H]3C[NH2+]C[C@@H]3C2)CCC(c2ccccc2)CC1 ZINC000625098194 365642324 /nfs/dbraw/zinc/64/23/24/365642324.db2.gz NVHCQUYPZRVDIB-QGLXBCBXSA-N 1 3 300.446 2.227 20 0 DEADHO CC(C)[NH+](CCNC(=O)N1CCN(C2CCCC2)CC1)C(C)C ZINC000079121795 185159698 /nfs/dbraw/zinc/15/96/98/185159698.db2.gz CDQSETLHLWBDFY-UHFFFAOYSA-N 1 3 324.513 2.375 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612989610 361973833 /nfs/dbraw/zinc/97/38/33/361973833.db2.gz YNRILXHXWJLLGU-MRXNPFEDSA-N 1 3 322.497 2.036 20 0 DEADHO CN(C)[C@@H](CNC(=O)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1 ZINC000459774374 282171289 /nfs/dbraw/zinc/17/12/89/282171289.db2.gz JBHDOCPSVHRNQN-XDNAFOTISA-N 1 3 315.461 2.184 20 0 DEADHO CC[C@H](C(=O)N(CCCc1ccccc1)CC[NH+](C)C)N(C)C ZINC000413259700 529592406 /nfs/dbraw/zinc/59/24/06/529592406.db2.gz QPGVWRGNROLKEQ-GOSISDBHSA-N 1 3 319.493 2.350 20 0 DEADHO CC[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C)c1)N(C)C ZINC000413380339 529592632 /nfs/dbraw/zinc/59/26/32/529592632.db2.gz NEVTWWCFTBVEMB-QGZVFWFLSA-N 1 3 305.466 2.225 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CC[C@H](C)[C@@H]3CCCC[C@@H]32)CC1 ZINC000613416092 362104932 /nfs/dbraw/zinc/10/49/32/362104932.db2.gz SIGAIWKCBAMISG-SZMVWBNQSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@]2(C)CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000167541834 197710424 /nfs/dbraw/zinc/71/04/24/197710424.db2.gz QDKHOPMQKLWQJU-HHXXYDBFSA-N 1 3 315.461 2.155 20 0 DEADHO [NH3+]C1CCN(CCNCc2ccc(Br)s2)CC1 ZINC000092721544 185336105 /nfs/dbraw/zinc/33/61/05/185336105.db2.gz HOCLJQXAVXWHEF-UHFFFAOYSA-N 1 3 318.284 2.023 20 0 DEADHO C[C@H](NCCOCC[NH2+][C@@H](C)c1cccnc1)c1cccnc1 ZINC000181649729 199332882 /nfs/dbraw/zinc/33/28/82/199332882.db2.gz WQLKROMPIYEGBO-HOTGVXAUSA-N 1 3 314.433 2.495 20 0 DEADHO CN(CCCN(C)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)Cc1ccco1 ZINC000418593039 529885443 /nfs/dbraw/zinc/88/54/43/529885443.db2.gz VMGLNWZOVXTPIS-CABCVRRESA-N 1 3 322.453 2.013 20 0 DEADHO C[NH2+]CCNC(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000418196821 529976658 /nfs/dbraw/zinc/97/66/58/529976658.db2.gz SCQMWVLZWOHUMB-KRWDZBQOSA-N 1 3 320.481 2.006 20 0 DEADHO C[NH+]1CCC(NC(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000411201455 530050405 /nfs/dbraw/zinc/05/04/05/530050405.db2.gz LITDXUWBQHTCHA-UHFFFAOYSA-N 1 3 315.461 2.497 20 0 DEADHO COC[C@@H]1CCC[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000093337431 539430679 /nfs/dbraw/zinc/43/06/79/539430679.db2.gz ASQBZCRPHVWTTA-QGZVFWFLSA-N 1 3 306.450 2.485 20 0 DEADHO COC[C@@H]1CCC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000093337431 539430683 /nfs/dbraw/zinc/43/06/83/539430683.db2.gz ASQBZCRPHVWTTA-QGZVFWFLSA-N 1 3 306.450 2.485 20 0 DEADHO C[C@](O)(CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000333824193 282972924 /nfs/dbraw/zinc/97/29/24/282972924.db2.gz LHGSENVSWGDZMT-TVFCKZIOSA-N 1 3 310.482 2.064 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000162265648 539596380 /nfs/dbraw/zinc/59/63/80/539596380.db2.gz VWUOLVXYNCWAGX-QWHCGFSZSA-N 1 3 315.417 2.494 20 0 DEADHO COc1cccc(CNCCCC[N@@H+]2CCC[C@@H]2CO)c1F ZINC000192681865 539709094 /nfs/dbraw/zinc/70/90/94/539709094.db2.gz ZUEQDYHMASKCOY-OAHLLOKOSA-N 1 3 310.413 2.161 20 0 DEADHO COc1cccc(CNCCCC[N@H+]2CCC[C@@H]2CO)c1F ZINC000192681865 539709098 /nfs/dbraw/zinc/70/90/98/539709098.db2.gz ZUEQDYHMASKCOY-OAHLLOKOSA-N 1 3 310.413 2.161 20 0 DEADHO CC(C)(C)[NH+]1CCC(NC(=O)NCCN2CCCCC2)CC1 ZINC000193848033 539716252 /nfs/dbraw/zinc/71/62/52/539716252.db2.gz WORBVSOHEIBSPX-UHFFFAOYSA-N 1 3 310.486 2.034 20 0 DEADHO CN(C(=O)CC1([NH3+])CCC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000237291661 539744732 /nfs/dbraw/zinc/74/47/32/539744732.db2.gz BMMWGSYABGREJS-KRWDZBQOSA-N 1 3 315.461 2.381 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])CCN1Cc1ccccc1 ZINC000237589346 539747857 /nfs/dbraw/zinc/74/78/57/539747857.db2.gz DHOHLOQSLXYXJL-DDBAPUKQSA-N 1 3 315.461 2.283 20 0 DEADHO [NH3+]C1(CC(=O)NC[C@H]2CCCN2Cc2ccccc2)CCC1 ZINC000237999393 539752802 /nfs/dbraw/zinc/75/28/02/539752802.db2.gz SGURCALQIHABIS-MRXNPFEDSA-N 1 3 301.434 2.039 20 0 DEADHO CN1CCC[C@@H]1CNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000175710081 186190853 /nfs/dbraw/zinc/19/08/53/186190853.db2.gz IDIZBRQDVWRLBI-CYBMUJFWSA-N 1 3 315.417 2.318 20 0 DEADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000262868769 186316374 /nfs/dbraw/zinc/31/63/74/186316374.db2.gz UUPJTYXVTSRARN-WMLDXEAASA-N 1 3 301.434 2.010 20 0 DEADHO NC[C@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1ccc2ccccc2c1 ZINC000262910587 186324041 /nfs/dbraw/zinc/32/40/41/186324041.db2.gz YLYAGBKORBWGAH-BZSNNMDCSA-N 1 3 311.429 2.473 20 0 DEADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)[C@H](C)OC)cc2)CC1 ZINC000268760756 186382530 /nfs/dbraw/zinc/38/25/30/186382530.db2.gz GXXKJCRDGAEMPV-IRXDYDNUSA-N 1 3 319.493 2.337 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000617348076 363102695 /nfs/dbraw/zinc/10/26/95/363102695.db2.gz ZJRYYBFKJVHVRN-GDBMZVCRSA-N 1 3 307.482 2.382 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000617348076 363102699 /nfs/dbraw/zinc/10/26/99/363102699.db2.gz ZJRYYBFKJVHVRN-GDBMZVCRSA-N 1 3 307.482 2.382 20 0 DEADHO CN(C)[C@@H](CNC(=O)c1cccc2c1CC[NH2+]C2)c1ccccc1 ZINC000325950783 539907637 /nfs/dbraw/zinc/90/76/37/539907637.db2.gz DLCBCFJZEGHUJC-IBGZPJMESA-N 1 3 323.440 2.365 20 0 DEADHO CCCC[C@@H](N)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000236709044 282911526 /nfs/dbraw/zinc/91/15/26/282911526.db2.gz BUCHBOZHLYAAEN-DLBZAZTESA-N 1 3 309.498 2.474 20 0 DEADHO CCC[C@H](N)C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000236792710 202010811 /nfs/dbraw/zinc/01/08/11/202010811.db2.gz RZKUXDOKOWYSAU-ROUUACIJSA-N 1 3 317.477 2.484 20 0 DEADHO CCC[C@H](N)C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000236792710 202010815 /nfs/dbraw/zinc/01/08/15/202010815.db2.gz RZKUXDOKOWYSAU-ROUUACIJSA-N 1 3 317.477 2.484 20 0 DEADHO CCCN(C(=O)[C@H](C)[C@H](N)c1ccccc1)C1CC[NH2+]CC1 ZINC000236822332 283032743 /nfs/dbraw/zinc/03/27/43/283032743.db2.gz VGOMZAJHEVCBMV-PBHICJAKSA-N 1 3 303.450 2.313 20 0 DEADHO CNC(=O)c1ccc(CN2CCC(CC[NH+](C)C)CC2)cc1 ZINC000066951159 354741569 /nfs/dbraw/zinc/74/15/69/354741569.db2.gz UMCDYVDRWDALHG-UHFFFAOYSA-N 1 3 303.450 2.210 20 0 DEADHO CCCN1CCC[C@H]1CNC(=O)N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000358287346 283058254 /nfs/dbraw/zinc/05/82/54/283058254.db2.gz CAINTMHUMKYTPU-IRXDYDNUSA-N 1 3 324.513 2.234 20 0 DEADHO CCCN1CCC[C@H]1CNC(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000358287346 283058255 /nfs/dbraw/zinc/05/82/55/283058255.db2.gz CAINTMHUMKYTPU-IRXDYDNUSA-N 1 3 324.513 2.234 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)CC1 ZINC000072954209 354932198 /nfs/dbraw/zinc/93/21/98/354932198.db2.gz SABHCYYIUZSQEX-HOTGVXAUSA-N 1 3 309.498 2.486 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](CN)c2ccc(F)cc2)C1 ZINC000358886088 283064397 /nfs/dbraw/zinc/06/43/97/283064397.db2.gz PYLPTBJQSAMHEJ-PBHICJAKSA-N 1 3 321.440 2.058 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](CN)c2ccc(F)cc2)C1 ZINC000358886088 283064398 /nfs/dbraw/zinc/06/43/98/283064398.db2.gz PYLPTBJQSAMHEJ-PBHICJAKSA-N 1 3 321.440 2.058 20 0 DEADHO C[C@@H]1CCN(C)CCN1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000355477073 283063538 /nfs/dbraw/zinc/06/35/38/283063538.db2.gz SMWVLBQZGDFOSK-WBVHZDCISA-N 1 3 324.513 2.233 20 0 DEADHO CC[NH+](CC)C[C@@H](C)NC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000351710364 540058977 /nfs/dbraw/zinc/05/89/77/540058977.db2.gz PDWMTBUBFDJZPE-CABCVRRESA-N 1 3 312.502 2.088 20 0 DEADHO CN(CCCNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000416880475 540164147 /nfs/dbraw/zinc/16/41/47/540164147.db2.gz YECDYGXNTUBGSZ-IAGOWNOFSA-N 1 3 318.465 2.078 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000417977125 540169351 /nfs/dbraw/zinc/16/93/51/540169351.db2.gz GSQKLMJEVMQBKC-HYVNUMGLSA-N 1 3 318.465 2.076 20 0 DEADHO COc1ccc2c(c1)OC[C@H](N[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)C2 ZINC000090964950 355569499 /nfs/dbraw/zinc/56/94/99/355569499.db2.gz WLMHDFIJTVMGMR-GKLJAUDBSA-N 1 3 304.434 2.317 20 0 DEADHO COc1ccc2c(c1)OC[C@H](N[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)C2 ZINC000090964950 355569502 /nfs/dbraw/zinc/56/95/02/355569502.db2.gz WLMHDFIJTVMGMR-GKLJAUDBSA-N 1 3 304.434 2.317 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000108543289 355735535 /nfs/dbraw/zinc/73/55/35/355735535.db2.gz DKPVZBAOISLWKY-DOTOQJQBSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000108543289 355735538 /nfs/dbraw/zinc/73/55/38/355735538.db2.gz DKPVZBAOISLWKY-DOTOQJQBSA-N 1 3 322.497 2.034 20 0 DEADHO Cc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c(C)c1 ZINC000119657690 355787097 /nfs/dbraw/zinc/78/70/97/355787097.db2.gz GEQXCOAIOXTTPQ-UHFFFAOYSA-N 1 3 306.454 2.261 20 0 DEADHO CC(C)[NH+]1CCC(O)(CNCc2scnc2C2CC2)CC1 ZINC000487309505 540211973 /nfs/dbraw/zinc/21/19/73/540211973.db2.gz OFFJAAIGXGOVOE-UHFFFAOYSA-N 1 3 309.479 2.345 20 0 DEADHO CC[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)N1CCc2ccccc2C1 ZINC000164184446 355974298 /nfs/dbraw/zinc/97/42/98/355974298.db2.gz OYMHQJZRTPIVTB-IAGOWNOFSA-N 1 3 317.477 2.313 20 0 DEADHO CN1CC[C@H]([NH2+]C2CN(C(=O)OC(C)(C)C)C2)[C@H]2CCC[C@@H]21 ZINC000367638807 283133397 /nfs/dbraw/zinc/13/33/97/283133397.db2.gz QUMFJMNYXOOVLM-ILXRZTDVSA-N 1 3 309.454 2.068 20 0 DEADHO CC1CCN(CCC[NH2+]C2CCN(CC(F)F)CC2)CC1 ZINC000161775836 355969492 /nfs/dbraw/zinc/96/94/92/355969492.db2.gz VLWNREMBKBKQEF-UHFFFAOYSA-N 1 3 303.441 2.428 20 0 DEADHO COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCN(C)C1 ZINC000183567361 356176519 /nfs/dbraw/zinc/17/65/19/356176519.db2.gz BQZHNQZNOQDWKQ-GJZGRUSLSA-N 1 3 320.433 2.231 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H]1CC[NH2+][C@H]1C)c1ccccc1 ZINC000316030744 356427052 /nfs/dbraw/zinc/42/70/52/356427052.db2.gz DPYBAQRRKDITHE-BHYGNILZSA-N 1 3 303.450 2.184 20 0 DEADHO Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000320940084 356447940 /nfs/dbraw/zinc/44/79/40/356447940.db2.gz GXFCVMQLCLFWKC-AEFFLSMTSA-N 1 3 318.461 2.117 20 0 DEADHO Cc1cc(C)cc(OC[C@@H](O)CNC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000320940084 356447941 /nfs/dbraw/zinc/44/79/41/356447941.db2.gz GXFCVMQLCLFWKC-AEFFLSMTSA-N 1 3 318.461 2.117 20 0 DEADHO Cc1cc(C)cc(OC[C@@H](O)CNC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000320940084 356447942 /nfs/dbraw/zinc/44/79/42/356447942.db2.gz GXFCVMQLCLFWKC-AEFFLSMTSA-N 1 3 318.461 2.117 20 0 DEADHO CCN1CCN(CCC[NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000236943254 202084371 /nfs/dbraw/zinc/08/43/71/202084371.db2.gz XWRJTTOLUVUQJB-UHFFFAOYSA-N 1 3 300.450 2.285 20 0 DEADHO CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425059316 283208872 /nfs/dbraw/zinc/20/88/72/283208872.db2.gz RGZUUMQLMDVBOG-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO COC(=O)c1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1F ZINC000388785887 356706468 /nfs/dbraw/zinc/70/64/68/356706468.db2.gz WUGYCMPFYRZOEV-CYBMUJFWSA-N 1 3 306.381 2.186 20 0 DEADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C(C)(C)N)CC1 ZINC000237187022 202180173 /nfs/dbraw/zinc/18/01/73/202180173.db2.gz ZHNQUGLFCGNKAM-UHFFFAOYSA-N 1 3 303.450 2.094 20 0 DEADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C(C)(C)N)CC1 ZINC000237187022 202180174 /nfs/dbraw/zinc/18/01/74/202180174.db2.gz ZHNQUGLFCGNKAM-UHFFFAOYSA-N 1 3 303.450 2.094 20 0 DEADHO CN(C)[C@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000237192963 202181859 /nfs/dbraw/zinc/18/18/59/202181859.db2.gz GFLPTTFCOQRSSL-ZWKOTPCHSA-N 1 3 311.429 2.496 20 0 DEADHO Cc1cc(NC(=O)[C@H](C)C[NH3+])cc(N2CCN(C(C)C)CC2)c1 ZINC000579107095 356922438 /nfs/dbraw/zinc/92/24/38/356922438.db2.gz CIDQMZIALBNRGD-OAHLLOKOSA-N 1 3 318.465 2.059 20 0 DEADHO CNCC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000237244456 202202771 /nfs/dbraw/zinc/20/27/71/202202771.db2.gz OSEWDNBYHUIJGB-GJZGRUSLSA-N 1 3 303.450 2.000 20 0 DEADHO CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CCC([C@@H](C)[NH3+])CC1 ZINC000430950170 283257636 /nfs/dbraw/zinc/25/76/36/283257636.db2.gz GKYVIWYEPFHWJT-CXAGYDPISA-N 1 3 319.449 2.472 20 0 DEADHO CC(C)[NH2+][C@H]1CCCN(C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000590811261 357618067 /nfs/dbraw/zinc/61/80/67/357618067.db2.gz IAWXYHLPDRBRMP-KRWDZBQOSA-N 1 3 303.450 2.351 20 0 DEADHO C[C@H](NCC1(C)OCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000179571491 199057256 /nfs/dbraw/zinc/05/72/56/199057256.db2.gz YPDBFQLGXSPIGD-AWEZNQCLSA-N 1 3 308.422 2.041 20 0 DEADHO C[C@H](NC1CC1)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000449110804 299268556 /nfs/dbraw/zinc/26/85/56/299268556.db2.gz GTXZOKBKSPZXKJ-HOTGVXAUSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H](CNC(=O)N[C@H](C[NH3+])C1CCCCC1)N1CCC(C)CC1 ZINC000417304822 295960631 /nfs/dbraw/zinc/96/06/31/295960631.db2.gz FRIPABSRITVCFH-DOTOQJQBSA-N 1 3 324.513 2.314 20 0 DEADHO CCCN1CC[C@H](NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC000666928550 540365293 /nfs/dbraw/zinc/36/52/93/540365293.db2.gz NZYPHTHHMUQTPE-KRWDZBQOSA-N 1 3 324.513 2.233 20 0 DEADHO CCCN1CC[C@H](NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)C1 ZINC000666928550 540365296 /nfs/dbraw/zinc/36/52/96/540365296.db2.gz NZYPHTHHMUQTPE-KRWDZBQOSA-N 1 3 324.513 2.233 20 0 DEADHO CCCN1CC[C@H](NC(=O)N2CCC(C[NH+](CC)CC)CC2)C1 ZINC000666928854 540365451 /nfs/dbraw/zinc/36/54/51/540365451.db2.gz VHWHWMCPZQEKJB-KRWDZBQOSA-N 1 3 324.513 2.234 20 0 DEADHO CCS(=O)(=O)c1ccc(C[NH2+][C@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1 ZINC000179951367 199098162 /nfs/dbraw/zinc/09/81/62/199098162.db2.gz XUMHFTDGHGKREU-VBQJREDUSA-N 1 3 324.490 2.299 20 0 DEADHO COC(=O)c1ccccc1OCCN1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000593730834 358132337 /nfs/dbraw/zinc/13/23/37/358132337.db2.gz ICKHRCKZAQILRK-GOEBONIOSA-N 1 3 320.433 2.301 20 0 DEADHO COC(=O)[C@H]1C[C@@H](N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000597221109 358859196 /nfs/dbraw/zinc/85/91/96/358859196.db2.gz JPGRWPPMKXGOHC-LEUOFYLZSA-N 1 3 316.445 2.438 20 0 DEADHO COC(=O)[C@H]1C[C@@H](N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000597221109 358859201 /nfs/dbraw/zinc/85/92/01/358859201.db2.gz JPGRWPPMKXGOHC-LEUOFYLZSA-N 1 3 316.445 2.438 20 0 DEADHO CN1CCCC[C@@H]1C(=O)N1CCC(CC[N@H+](C)CCF)CC1 ZINC001422043736 1172251098 /nfs/dbraw/zinc/25/10/98/1172251098.db2.gz YYDSFZBZSAHOQE-MRXNPFEDSA-N 1 3 313.461 2.001 20 0 DEADHO CN1CCCC[C@@H]1C(=O)N1CCC(CC[N@@H+](C)CCF)CC1 ZINC001422043736 1172251101 /nfs/dbraw/zinc/25/11/01/1172251101.db2.gz YYDSFZBZSAHOQE-MRXNPFEDSA-N 1 3 313.461 2.001 20 0 DEADHO CCOc1cncc(CNCC2(SC)CC[NH+](C)CC2)c1 ZINC000598644428 359273363 /nfs/dbraw/zinc/27/33/63/359273363.db2.gz KSCWXAJYYGOMAV-UHFFFAOYSA-N 1 3 309.479 2.397 20 0 DEADHO CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@@H]2CCN(CC)C2)c1C ZINC000598955256 359367158 /nfs/dbraw/zinc/36/71/58/359367158.db2.gz KWHMABZDTXQCOA-AWEZNQCLSA-N 1 3 307.438 2.240 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000667451387 540457683 /nfs/dbraw/zinc/45/76/83/540457683.db2.gz LLHHNOFSWKCHRM-HNNXBMFYSA-N 1 3 304.438 2.054 20 0 DEADHO C[NH+](C)CCOc1cccc(CN[C@H]2CO[C@H](C3CC3)C2)c1 ZINC000667791053 540527296 /nfs/dbraw/zinc/52/72/96/540527296.db2.gz CHAIVWGNXFQEDC-AEFFLSMTSA-N 1 3 304.434 2.284 20 0 DEADHO CCCn1nccc1CN(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000668159741 540600962 /nfs/dbraw/zinc/60/09/62/540600962.db2.gz FGOKFNVOCBRZOZ-KRWDZBQOSA-N 1 3 321.513 2.141 20 0 DEADHO CCCn1nccc1CN(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000668159741 540600966 /nfs/dbraw/zinc/60/09/66/540600966.db2.gz FGOKFNVOCBRZOZ-KRWDZBQOSA-N 1 3 321.513 2.141 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H](N)Cc2ccccc2)C1 ZINC000237552072 202280967 /nfs/dbraw/zinc/28/09/67/202280967.db2.gz HSEIHUAPUGOIJR-NUJGCVRESA-N 1 3 317.477 2.041 20 0 DEADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000237586093 202293447 /nfs/dbraw/zinc/29/34/47/202293447.db2.gz XPJGDDVICYOHOC-KBAYOESNSA-N 1 3 315.461 2.107 20 0 DEADHO CCN(CCC[NH+](C)C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000188444066 200247373 /nfs/dbraw/zinc/24/73/73/200247373.db2.gz TUZUIZAZLOLXHJ-QGZVFWFLSA-N 1 3 320.481 2.273 20 0 DEADHO COC[C@H]([NH2+]C1CCN(c2ccncc2)CC1)C1CCOCC1 ZINC000668463439 540669389 /nfs/dbraw/zinc/66/93/89/540669389.db2.gz ZPYGNQJDNUPJNP-SFHVURJKSA-N 1 3 319.449 2.082 20 0 DEADHO Cn1cncc1C[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000237925478 202393377 /nfs/dbraw/zinc/39/33/77/202393377.db2.gz GDXHXPDOUDXHCH-UHFFFAOYSA-N 1 3 304.463 2.483 20 0 DEADHO COC(=O)[C@](C)(CN[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000602628596 360466025 /nfs/dbraw/zinc/46/60/25/360466025.db2.gz HIYXLCCBEDPLRG-UWWQBHOKSA-N 1 3 304.434 2.190 20 0 DEADHO COC(=O)[C@](C)(CN[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000602628596 360466028 /nfs/dbraw/zinc/46/60/28/360466028.db2.gz HIYXLCCBEDPLRG-UWWQBHOKSA-N 1 3 304.434 2.190 20 0 DEADHO COC1(c2nc(-c3ccc(CN(C)C)cc3)no2)CC[NH2+]CC1 ZINC000442760494 238074035 /nfs/dbraw/zinc/07/40/35/238074035.db2.gz UVJVJPYSXDOWEU-UHFFFAOYSA-N 1 3 316.405 2.023 20 0 DEADHO Cc1c([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cnn1C(C)C ZINC000442865668 238085753 /nfs/dbraw/zinc/08/57/53/238085753.db2.gz GDDPGYXYILGVCL-HNNXBMFYSA-N 1 3 321.513 2.449 20 0 DEADHO COCC1CCC([NH2+]Cc2ccncc2OCCN(C)C)CC1 ZINC000449328104 240365154 /nfs/dbraw/zinc/36/51/54/240365154.db2.gz IBWUXNJLYBTFQK-UHFFFAOYSA-N 1 3 321.465 2.317 20 0 DEADHO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]CCCN1CCCCC1 ZINC000444638965 238221192 /nfs/dbraw/zinc/22/11/92/238221192.db2.gz XTTAVCGMFCYFMD-WMZOPIPTSA-N 1 3 320.481 2.333 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@@H](C(C)C)CC2)CC1 ZINC000604055202 360882697 /nfs/dbraw/zinc/88/26/97/360882697.db2.gz TWVSNPPSKPOQPS-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H]1CN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)CC[C@H]1[NH3+] ZINC000669515851 540850323 /nfs/dbraw/zinc/85/03/23/540850323.db2.gz GXNVTPAZWQXZIT-BMFZPTHFSA-N 1 3 303.450 2.298 20 0 DEADHO CN(CCC[NH3+])C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669483862 540842073 /nfs/dbraw/zinc/84/20/73/540842073.db2.gz PQWSCJJLOHYBBE-QGZVFWFLSA-N 1 3 318.465 2.204 20 0 DEADHO CC1(C)CCCN[C@@H]1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669519691 540850866 /nfs/dbraw/zinc/85/08/66/540850866.db2.gz OJBBIWMHOVTMNN-HRCADAONSA-N 1 3 307.482 2.003 20 0 DEADHO C[C@H](NC(=O)NC[C@H]1CCCC[NH2+]1)[C@@H](c1ccccc1)N(C)C ZINC000669583558 540869327 /nfs/dbraw/zinc/86/93/27/540869327.db2.gz XIDULYNRWXSNGO-UAGQMJEPSA-N 1 3 318.465 2.119 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@H]1CCC[NH2+]CC1)c1ccco1 ZINC000669584190 540869264 /nfs/dbraw/zinc/86/92/64/540869264.db2.gz ZDLIFDVTCJJKQJ-KKUMJFAQSA-N 1 3 322.453 2.150 20 0 DEADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)CC[C@@H](C)[NH3+] ZINC000193321811 201030039 /nfs/dbraw/zinc/03/00/39/201030039.db2.gz PQZYILIFCZXFOY-SJLPKXTDSA-N 1 3 317.477 2.484 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccco1 ZINC000672754243 541060548 /nfs/dbraw/zinc/06/05/48/541060548.db2.gz XIXYTKLTVPRUDD-RRFJBIMHSA-N 1 3 322.453 2.102 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](C)C1)c1ccco1 ZINC000672754243 541060552 /nfs/dbraw/zinc/06/05/52/541060552.db2.gz XIXYTKLTVPRUDD-RRFJBIMHSA-N 1 3 322.453 2.102 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H]4C[C@H]4C3)CC2)CC1 ZINC000619365919 363773202 /nfs/dbraw/zinc/77/32/02/363773202.db2.gz DQKJZCUCTKVUHA-IRXDYDNUSA-N 1 3 319.493 2.051 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CCC)C1 ZINC001120448846 781942719 /nfs/dbraw/zinc/94/27/19/781942719.db2.gz HGIXMRNQJSHVOW-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CCC)C1 ZINC001120448846 781942732 /nfs/dbraw/zinc/94/27/32/781942732.db2.gz HGIXMRNQJSHVOW-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO CCN(CC)[C@H](CNC(=O)C[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000194009701 201162280 /nfs/dbraw/zinc/16/22/80/201162280.db2.gz ZNJXYOFXFNGFEK-IAGOWNOFSA-N 1 3 303.450 2.328 20 0 DEADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCOCCN(C)C)c1C ZINC000447597850 239034061 /nfs/dbraw/zinc/03/40/61/239034061.db2.gz GECIIWISXVBWBC-HNNXBMFYSA-N 1 3 321.465 2.188 20 0 DEADHO O[C@H]1CCN(Cc2ccccc2C[NH2+]C[C@H]2CCC=CO2)C1 ZINC000194610712 201262793 /nfs/dbraw/zinc/26/27/93/201262793.db2.gz BCBVVTFXLGYIGP-ZWKOTPCHSA-N 1 3 302.418 2.036 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+]CC2([S@@](C)=O)CCC2)cc1 ZINC000619552814 363824284 /nfs/dbraw/zinc/82/42/84/363824284.db2.gz KMRFMNVHPSWICS-JOCHJYFZSA-N 1 3 324.490 2.018 20 0 DEADHO C[NH+](C)CCOc1ccc(CNCC2([S@@](C)=O)CCC2)cc1 ZINC000619552814 363824292 /nfs/dbraw/zinc/82/42/92/363824292.db2.gz KMRFMNVHPSWICS-JOCHJYFZSA-N 1 3 324.490 2.018 20 0 DEADHO CCCN1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000619900707 363898845 /nfs/dbraw/zinc/89/88/45/363898845.db2.gz YFKGGNAPFCXYHP-HZPDHXFCSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000619900707 363898848 /nfs/dbraw/zinc/89/88/48/363898848.db2.gz YFKGGNAPFCXYHP-HZPDHXFCSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+][C@H]2CC[C@H](CO)CC2)cc1 ZINC000675243553 541307523 /nfs/dbraw/zinc/30/75/23/541307523.db2.gz XHWZCKLCNYZERI-QAQDUYKDSA-N 1 3 306.450 2.268 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621642643 364487344 /nfs/dbraw/zinc/48/73/44/364487344.db2.gz SBBSSKBBYZZZSR-INIZCTEOSA-N 1 3 309.498 2.347 20 0 DEADHO O=C(CCC1CCCC1)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000178957356 283774722 /nfs/dbraw/zinc/77/47/22/283774722.db2.gz DTJZLUBBMCZVJN-UHFFFAOYSA-N 1 3 307.482 2.101 20 0 DEADHO C[C@@H]1C[C@H](NCc2ccncc2OCCC[NH+](C)C)[C@@H](C)O1 ZINC000449328932 240370411 /nfs/dbraw/zinc/37/04/11/240370411.db2.gz LTOWAWHESHYSIA-FMKPAKJESA-N 1 3 307.438 2.068 20 0 DEADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC[C@H]2CCCN2C)C1 ZINC000623466974 365040277 /nfs/dbraw/zinc/04/02/77/365040277.db2.gz SVVHUMOWWAKMEJ-YESZJQIVSA-N 1 3 324.513 2.138 20 0 DEADHO C[NH+](C)C1(CNC(=O)NC[C@H]2CCN2C2CCCC2)CCCC1 ZINC000623704694 365137074 /nfs/dbraw/zinc/13/70/74/365137074.db2.gz HNLAKOUYSXKJHV-MRXNPFEDSA-N 1 3 322.497 2.177 20 0 DEADHO O=C(C[NH2+][C@H]1CCC[C@@H]1C1CC1)NCCN1CCCCCC1 ZINC000353667001 283852236 /nfs/dbraw/zinc/85/22/36/283852236.db2.gz BFZJZNVHEQORGS-SJORKVTESA-N 1 3 307.482 2.147 20 0 DEADHO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000449749774 241029358 /nfs/dbraw/zinc/02/93/58/241029358.db2.gz GYZOJOLYVLDBHT-INIZCTEOSA-N 1 3 301.434 2.153 20 0 DEADHO COc1ccc([C@@H](NC[C@H]2CCCN2C)[C@H]2CCC[NH2+]2)cc1 ZINC000629520679 367233720 /nfs/dbraw/zinc/23/37/20/367233720.db2.gz XIRYQJLJXLGOKS-KBAYOESNSA-N 1 3 303.450 2.172 20 0 DEADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2cc(CO)ccc2F)C1 ZINC000629548449 367244832 /nfs/dbraw/zinc/24/48/32/367244832.db2.gz NSGJGIBXTDOVJM-NJAFHUGGSA-N 1 3 322.424 2.179 20 0 DEADHO C[NH2+]CCOCCN(C)CCOc1ccc(Cl)c(F)c1 ZINC000629570666 367256416 /nfs/dbraw/zinc/25/64/16/367256416.db2.gz AVMYRVDQWBIBIJ-UHFFFAOYSA-N 1 3 304.793 2.026 20 0 DEADHO c1nc(C2CC2)nc2c1CN(CCCC1CC[NH2+]CC1)CC2 ZINC000629573474 367256929 /nfs/dbraw/zinc/25/69/29/367256929.db2.gz DAAUIWGSQJTZIK-UHFFFAOYSA-N 1 3 300.450 2.492 20 0 DEADHO O[C@@H](C[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl)CN1CCCC1 ZINC000629578714 367259153 /nfs/dbraw/zinc/25/91/53/367259153.db2.gz LZFORNYGLRCMOL-YWPYICTPSA-N 1 3 312.816 2.381 20 0 DEADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CC2=Cc3ccccc3OC2)CC1 ZINC000629655147 367289427 /nfs/dbraw/zinc/28/94/27/367289427.db2.gz SOCAZCYISFHMLM-MJGOQNOKSA-N 1 3 314.429 2.291 20 0 DEADHO CCC(=O)CCC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000450636664 242044875 /nfs/dbraw/zinc/04/48/75/242044875.db2.gz NUMKQVVHMMAMDZ-UHFFFAOYSA-N 1 3 309.498 2.236 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCCc3ncccc32)CC1 ZINC000631570591 368292674 /nfs/dbraw/zinc/29/26/74/368292674.db2.gz RZVOBILMAPVCDZ-CRAIPNDOSA-N 1 3 302.466 2.075 20 0 DEADHO CCN(CC[C@H](C)[N@H+](CC)C[C@@H]1CCOC1)C[C@H]1CCOC1 ZINC000677887019 541643083 /nfs/dbraw/zinc/64/30/83/541643083.db2.gz YNEVTSVJBJFYAE-KSZLIROESA-N 1 3 312.498 2.482 20 0 DEADHO CCN(CC[C@H](C)[N@@H+](CC)C[C@@H]1CCOC1)C[C@H]1CCOC1 ZINC000677887019 541643087 /nfs/dbraw/zinc/64/30/87/541643087.db2.gz YNEVTSVJBJFYAE-KSZLIROESA-N 1 3 312.498 2.482 20 0 DEADHO CC(C)OC1CC([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C1 ZINC000275155008 212155542 /nfs/dbraw/zinc/15/55/42/212155542.db2.gz UNUZUUUIMBPBEI-JLAWEPINSA-N 1 3 318.461 2.299 20 0 DEADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCCC12CCN(C)CC2 ZINC000678198881 541691805 /nfs/dbraw/zinc/69/18/05/541691805.db2.gz GFDMGWBUOKMPKK-INIZCTEOSA-N 1 3 322.497 2.131 20 0 DEADHO C[NH+](C)CCOc1ccc(CN2CCN(C3CCC3)CC2)cc1 ZINC000678265565 541702260 /nfs/dbraw/zinc/70/22/60/541702260.db2.gz WZRBWKDUJOHLJZ-UHFFFAOYSA-N 1 3 317.477 2.297 20 0 DEADHO CCC[C@H](N)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261539606 203076480 /nfs/dbraw/zinc/07/64/80/203076480.db2.gz CVJFFMRAOLLYLQ-OIISXLGYSA-N 1 3 303.450 2.141 20 0 DEADHO CCC[C@H](N)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261539606 203076484 /nfs/dbraw/zinc/07/64/84/203076484.db2.gz CVJFFMRAOLLYLQ-OIISXLGYSA-N 1 3 303.450 2.141 20 0 DEADHO O=C(CC[C@H]1CC[NH2+]C1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000261922709 203154384 /nfs/dbraw/zinc/15/43/84/203154384.db2.gz XUHGOGAFPLQPCY-WMZOPIPTSA-N 1 3 315.461 2.157 20 0 DEADHO CCN(C(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420342885 284151911 /nfs/dbraw/zinc/15/19/11/284151911.db2.gz QKCOLBWELLKTQH-DLBZAZTESA-N 1 3 315.461 2.361 20 0 DEADHO CN(CC(C)(C)C[NH3+])C(=O)c1cccc(CN2CCCC2)c1 ZINC000262591904 203342880 /nfs/dbraw/zinc/34/28/80/203342880.db2.gz UNIPVJJYOJWERW-UHFFFAOYSA-N 1 3 303.450 2.339 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)N(C)C)cc1 ZINC000262655752 203366685 /nfs/dbraw/zinc/36/66/85/203366685.db2.gz UIRYAGQBAMDIDG-IKGGRYGDSA-N 1 3 303.450 2.095 20 0 DEADHO C[NH2+]CCCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000262679396 203377516 /nfs/dbraw/zinc/37/75/16/203377516.db2.gz VVVKQIISVOSTLS-AEFFLSMTSA-N 1 3 317.477 2.498 20 0 DEADHO C[C@@H](NCCC[N@@H+]1CCCN(C)CC1)c1ccc(Cl)cn1 ZINC000274955721 212040244 /nfs/dbraw/zinc/04/02/44/212040244.db2.gz VVBFWTUKYCMXDX-CQSZACIVSA-N 1 3 310.873 2.413 20 0 DEADHO C[C@@H](NCCC[N@H+]1CCCN(C)CC1)c1ccc(Cl)cn1 ZINC000274955721 212040246 /nfs/dbraw/zinc/04/02/46/212040246.db2.gz VVBFWTUKYCMXDX-CQSZACIVSA-N 1 3 310.873 2.413 20 0 DEADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCC12CC(C1)CO2 ZINC000530218008 284375990 /nfs/dbraw/zinc/37/59/90/284375990.db2.gz DCSVPLAYLDNWIE-MOFQQNDTSA-N 1 3 300.402 2.011 20 0 DEADHO C[C@@H](C(=O)NC1CC[NH+](C2CCC2)CC1)N1[C@H](C)CC[C@H]1C ZINC000456684314 247357260 /nfs/dbraw/zinc/35/72/60/247357260.db2.gz NVBLBFSCYZSNEY-KFWWJZLASA-N 1 3 307.482 2.381 20 0 DEADHO C[C@@H](CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1)N1CCC(C)CC1 ZINC000458057816 248131349 /nfs/dbraw/zinc/13/13/49/248131349.db2.gz YQHQNMGYJYEHQC-IRXDYDNUSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H](CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)N1CCC(C)CC1 ZINC000458057816 248131352 /nfs/dbraw/zinc/13/13/52/248131352.db2.gz YQHQNMGYJYEHQC-IRXDYDNUSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)N(C)C)[N@H+](C)C1CC1 ZINC000105075239 194068541 /nfs/dbraw/zinc/06/85/41/194068541.db2.gz BXEGXHUSXJZJKR-YOEHRIQHSA-N 1 3 318.465 2.071 20 0 DEADHO C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)N(C)C)[N@@H+](C)C1CC1 ZINC000105075239 194068543 /nfs/dbraw/zinc/06/85/43/194068543.db2.gz BXEGXHUSXJZJKR-YOEHRIQHSA-N 1 3 318.465 2.071 20 0 DEADHO C[C@H](NCCc1ccc(OCC[NH+](C)C)cc1)c1cnccn1 ZINC000268843556 207010221 /nfs/dbraw/zinc/01/02/21/207010221.db2.gz DKDLCBVEDFFHOP-HNNXBMFYSA-N 1 3 314.433 2.310 20 0 DEADHO CN1CCC(O)(C[NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000269065681 207213507 /nfs/dbraw/zinc/21/35/07/207213507.db2.gz VKKCLZXRSSGBOS-CQSZACIVSA-N 1 3 310.438 2.409 20 0 DEADHO CN1CCC(O)(C[NH2+]Cc2cccc(-c3cccnc3)c2)CC1 ZINC000269134526 207266207 /nfs/dbraw/zinc/26/62/07/207266207.db2.gz JQCHCMWGSHAWNH-UHFFFAOYSA-N 1 3 311.429 2.295 20 0 DEADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NCCN(C)Cc1ccccc1 ZINC000066187882 184395981 /nfs/dbraw/zinc/39/59/81/184395981.db2.gz CEONLVIQAVTCQG-MRXNPFEDSA-N 1 3 320.481 2.148 20 0 DEADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCCN(C)Cc1ccccc1 ZINC000066187882 184395983 /nfs/dbraw/zinc/39/59/83/184395983.db2.gz CEONLVIQAVTCQG-MRXNPFEDSA-N 1 3 320.481 2.148 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)[C@H](N)C(C)C)Cc1ccccc1 ZINC000269232140 207356467 /nfs/dbraw/zinc/35/64/67/207356467.db2.gz IUVVBFLZYUVIBX-DLBZAZTESA-N 1 3 305.466 2.039 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN(C)CC[C@@H]1C ZINC000355478377 207391870 /nfs/dbraw/zinc/39/18/70/207391870.db2.gz VORIGYOSGUCHLB-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN(C)CC[C@@H]1C ZINC000355478377 207391873 /nfs/dbraw/zinc/39/18/73/207391873.db2.gz VORIGYOSGUCHLB-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO CCN(C[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1)CC(F)(F)F ZINC000347002719 285033343 /nfs/dbraw/zinc/03/33/43/285033343.db2.gz JOQFDHZYIWQBGG-KGLIPLIRSA-N 1 3 307.404 2.192 20 0 DEADHO CCN(C[C@@H]1CC[N@H+](C[C@@H]2CCCNC2)C1)CC(F)(F)F ZINC000347002719 285033346 /nfs/dbraw/zinc/03/33/46/285033346.db2.gz JOQFDHZYIWQBGG-KGLIPLIRSA-N 1 3 307.404 2.192 20 0 DEADHO CCN(C[C@@H]1CC[N@@H+](C[C@@H]2CCCNC2)C1)CC(F)(F)F ZINC000347002719 285033349 /nfs/dbraw/zinc/03/33/49/285033349.db2.gz JOQFDHZYIWQBGG-KGLIPLIRSA-N 1 3 307.404 2.192 20 0 DEADHO COc1cc(OC)cc(OCCN[C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422934678 533078359 /nfs/dbraw/zinc/07/83/59/533078359.db2.gz GFNOJQIIXRZSDM-SUMWQHHRSA-N 1 3 308.422 2.060 20 0 DEADHO CC(C)N1CCC([NH2+]Cc2ccc(Cn3cncn3)cc2)CC1 ZINC000272915292 210301044 /nfs/dbraw/zinc/30/10/44/210301044.db2.gz SAXLPUMMBFUPAR-UHFFFAOYSA-N 1 3 313.449 2.289 20 0 DEADHO CSc1nnc(CCC[NH2+][C@@H](C)C[C@@H](C)N)n1CC(C)C ZINC000422725767 533084479 /nfs/dbraw/zinc/08/44/79/533084479.db2.gz CEUWWZOLJBRMSP-OLZOCXBDSA-N 1 3 313.515 2.304 20 0 DEADHO CSc1nnc(CCCN[C@@H](C)C[C@@H](C)[NH3+])n1CC(C)C ZINC000422725767 533084483 /nfs/dbraw/zinc/08/44/83/533084483.db2.gz CEUWWZOLJBRMSP-OLZOCXBDSA-N 1 3 313.515 2.304 20 0 DEADHO C[C@@H](NC(=O)NC1CCC([NH3+])CC1)[C@@H](c1ccccc1)N(C)C ZINC000418191350 533146426 /nfs/dbraw/zinc/14/64/26/533146426.db2.gz XIFHRDLWCSGYBY-MFNRNEDNSA-N 1 3 318.465 2.247 20 0 DEADHO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CC[C@@H]2CCCN2C)C1 ZINC000428775823 533152578 /nfs/dbraw/zinc/15/25/78/533152578.db2.gz CHLSGVHXTGWWJB-HKUYNNGSSA-N 1 3 316.445 2.287 20 0 DEADHO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CC[C@@H]2CCCN2C)C1 ZINC000428775823 533152584 /nfs/dbraw/zinc/15/25/84/533152584.db2.gz CHLSGVHXTGWWJB-HKUYNNGSSA-N 1 3 316.445 2.287 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H](C)SC ZINC000339830220 285243528 /nfs/dbraw/zinc/24/35/28/285243528.db2.gz RUNCIZZSMSPEFM-LSDHHAIUSA-N 1 3 315.527 2.003 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H](C)SC ZINC000339830220 285243530 /nfs/dbraw/zinc/24/35/30/285243530.db2.gz RUNCIZZSMSPEFM-LSDHHAIUSA-N 1 3 315.527 2.003 20 0 DEADHO CCC[N@@H+]1CC[C@H](CNC(=O)N(C)[C@H](C)C2CCN(C)CC2)C1 ZINC000542713534 285244887 /nfs/dbraw/zinc/24/48/87/285244887.db2.gz XIGNZBDOYINYTJ-HZPDHXFCSA-N 1 3 324.513 2.090 20 0 DEADHO CCC[N@H+]1CC[C@H](CNC(=O)N(C)[C@H](C)C2CCN(C)CC2)C1 ZINC000542713534 285244890 /nfs/dbraw/zinc/24/48/90/285244890.db2.gz XIGNZBDOYINYTJ-HZPDHXFCSA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000683420124 542447054 /nfs/dbraw/zinc/44/70/54/542447054.db2.gz BJGGEYDFYQKFSA-RDJZCZTQSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(CN(C)C)cc1 ZINC000120664534 195212022 /nfs/dbraw/zinc/21/20/22/195212022.db2.gz NPIDJHUIYNMQJC-YOEHRIQHSA-N 1 3 303.450 2.160 20 0 DEADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(CN(C)C)cc1 ZINC000120664534 195212023 /nfs/dbraw/zinc/21/20/23/195212023.db2.gz NPIDJHUIYNMQJC-YOEHRIQHSA-N 1 3 303.450 2.160 20 0 DEADHO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000683814141 542498697 /nfs/dbraw/zinc/49/86/97/542498697.db2.gz AIHRONPTWHDWIH-IEBWSBKVSA-N 1 3 319.493 2.380 20 0 DEADHO COCC[N@H+](C)CCCC1CCN(Cc2cc(C)nn2C)CC1 ZINC000417807834 533311392 /nfs/dbraw/zinc/31/13/92/533311392.db2.gz IKZOIULCMNAFMZ-UHFFFAOYSA-N 1 3 322.497 2.299 20 0 DEADHO COCC[N@@H+](C)CCCC1CCN(Cc2cc(C)nn2C)CC1 ZINC000417807834 533311396 /nfs/dbraw/zinc/31/13/96/533311396.db2.gz IKZOIULCMNAFMZ-UHFFFAOYSA-N 1 3 322.497 2.299 20 0 DEADHO C[C@@H](NCC1CCN(CC(F)(F)F)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423060423 533368491 /nfs/dbraw/zinc/36/84/91/533368491.db2.gz IDWJBZDETVGETB-OCCSQVGLSA-N 1 3 307.404 2.381 20 0 DEADHO C[C@@H](NC(C)(C)CNC(=O)NC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000417704827 533323027 /nfs/dbraw/zinc/32/30/27/533323027.db2.gz MZKANOMHHQEYBY-ZBFHGGJFSA-N 1 3 318.465 2.167 20 0 DEADHO C[C@@H](NC[C@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CCC[NH2+]1 ZINC000423076319 533435439 /nfs/dbraw/zinc/43/54/39/533435439.db2.gz QVWLTERKKAYOMO-NZSAHSFTSA-N 1 3 317.477 2.008 20 0 DEADHO COc1ccc(CCCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422729428 533474584 /nfs/dbraw/zinc/47/45/84/533474584.db2.gz BRHCDAIPLMQYKN-IPMKNSEASA-N 1 3 318.461 2.375 20 0 DEADHO CCC1(O)CCN(C/C=C/C[NH+]2CCC(O)(CC)CC2)CC1 ZINC000340195410 131129332 /nfs/dbraw/zinc/12/93/32/131129332.db2.gz KONIXVJFOMYYOB-AATRIKPKSA-N 1 3 310.482 2.016 20 0 DEADHO CCc1ccc(CN(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000685457682 542727606 /nfs/dbraw/zinc/72/76/06/542727606.db2.gz JLIFHOYWUCNIAC-MRXNPFEDSA-N 1 3 305.466 2.442 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(O)cc1 ZINC000685456109 542726157 /nfs/dbraw/zinc/72/61/57/542726157.db2.gz BCPZPTRUVVWOCJ-QGZVFWFLSA-N 1 3 305.466 2.240 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(O)cc1 ZINC000685456109 542726161 /nfs/dbraw/zinc/72/61/61/542726161.db2.gz BCPZPTRUVVWOCJ-QGZVFWFLSA-N 1 3 305.466 2.240 20 0 DEADHO CC(C)N(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000176048257 132517094 /nfs/dbraw/zinc/51/70/94/132517094.db2.gz PMCBFFIVJGSQRZ-UHFFFAOYSA-N 1 3 322.497 2.127 20 0 DEADHO CCCC[C@@H](N)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000347620132 132774917 /nfs/dbraw/zinc/77/49/17/132774917.db2.gz FDEUIAHVDJOSBO-QGZVFWFLSA-N 1 3 303.450 2.416 20 0 DEADHO C[NH+](C)CC1CCN(CCOCC(F)(F)C(F)F)CC1 ZINC000345852965 132833392 /nfs/dbraw/zinc/83/33/92/132833392.db2.gz LELVELRFXIQDOX-UHFFFAOYSA-N 1 3 300.340 2.177 20 0 DEADHO CNC(=O)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000355785986 133048199 /nfs/dbraw/zinc/04/81/99/133048199.db2.gz QKRIIEKLSPHTAY-LJQANCHMSA-N 1 3 315.461 2.111 20 0 DEADHO CNC(=O)CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000355785986 133048200 /nfs/dbraw/zinc/04/82/00/133048200.db2.gz QKRIIEKLSPHTAY-LJQANCHMSA-N 1 3 315.461 2.111 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000357886138 133107608 /nfs/dbraw/zinc/10/76/08/133107608.db2.gz RJVWATFPDKVGQU-KKUMJFAQSA-N 1 3 310.486 2.031 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000357886138 133107609 /nfs/dbraw/zinc/10/76/09/133107609.db2.gz RJVWATFPDKVGQU-KKUMJFAQSA-N 1 3 310.486 2.031 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000357920507 133109908 /nfs/dbraw/zinc/10/99/08/133109908.db2.gz OWGLGWPJYPPODK-LSDHHAIUSA-N 1 3 310.486 2.056 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000357920507 133109909 /nfs/dbraw/zinc/10/99/09/133109909.db2.gz OWGLGWPJYPPODK-LSDHHAIUSA-N 1 3 310.486 2.056 20 0 DEADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(C(=O)NC2CC2)c1 ZINC000358027400 133116603 /nfs/dbraw/zinc/11/66/03/133116603.db2.gz RCXIUJISKHYOKL-QWQRMKEZSA-N 1 3 315.461 2.397 20 0 DEADHO O=C(C1CCC1)N(CCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000358082614 133119759 /nfs/dbraw/zinc/11/97/59/133119759.db2.gz JOIGFWZWGMEJGZ-WMZOPIPTSA-N 1 3 319.493 2.384 20 0 DEADHO O=C(C1CCC1)N(CCCN[C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000358082614 133119760 /nfs/dbraw/zinc/11/97/60/133119760.db2.gz JOIGFWZWGMEJGZ-WMZOPIPTSA-N 1 3 319.493 2.384 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000358107202 133121581 /nfs/dbraw/zinc/12/15/81/133121581.db2.gz SJLVDOCETBFCRC-HZPDHXFCSA-N 1 3 322.497 2.010 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000358107202 133121582 /nfs/dbraw/zinc/12/15/82/133121582.db2.gz SJLVDOCETBFCRC-HZPDHXFCSA-N 1 3 322.497 2.010 20 0 DEADHO CC[C@@H](C)[C@H]1CCCCN1CC(=O)NC1CC[NH+](CC)CC1 ZINC000362482458 133232600 /nfs/dbraw/zinc/23/26/00/133232600.db2.gz DQEQKSFXJXIKLK-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccccc1CN(C)C ZINC000362517500 133235305 /nfs/dbraw/zinc/23/53/05/133235305.db2.gz AKYIZWXEDYYXRG-HNNXBMFYSA-N 1 3 303.450 2.352 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccccc1CN(C)C ZINC000362517500 133235306 /nfs/dbraw/zinc/23/53/06/133235306.db2.gz AKYIZWXEDYYXRG-HNNXBMFYSA-N 1 3 303.450 2.352 20 0 DEADHO CCC(C)(C)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000362631856 133242314 /nfs/dbraw/zinc/24/23/14/133242314.db2.gz SIVSCUFJSUBVKI-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccccc1CN(C)C ZINC000373021334 133374648 /nfs/dbraw/zinc/37/46/48/133374648.db2.gz DLUJAZSVLYCICJ-HOCLYGCPSA-N 1 3 301.434 2.057 20 0 DEADHO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccccc1CN(C)C ZINC000373021334 133374649 /nfs/dbraw/zinc/37/46/49/133374649.db2.gz DLUJAZSVLYCICJ-HOCLYGCPSA-N 1 3 301.434 2.057 20 0 DEADHO CC[C@@H](N)C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000563090354 292030767 /nfs/dbraw/zinc/03/07/67/292030767.db2.gz NKTKGMDQEJPUOA-DJIMGWMZSA-N 1 3 303.450 2.141 20 0 DEADHO CC[C@@H](N)C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000563090354 292030768 /nfs/dbraw/zinc/03/07/68/292030768.db2.gz NKTKGMDQEJPUOA-DJIMGWMZSA-N 1 3 303.450 2.141 20 0 DEADHO CCN(C)C[C@H](O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000563367561 292050084 /nfs/dbraw/zinc/05/00/84/292050084.db2.gz VIYGVFLJRQHWPW-MSOLQXFVSA-N 1 3 320.477 2.183 20 0 DEADHO Fc1ccc(-n2cc(CNCC[C@@H]3CC[NH2+]C3)nn2)c(Cl)c1 ZINC000563427554 292056648 /nfs/dbraw/zinc/05/66/48/292056648.db2.gz PPYHIUWDBJHJPC-NSHDSACASA-N 1 3 323.803 2.149 20 0 DEADHO c1ncn(-c2cccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)c2)n1 ZINC000563444471 292057547 /nfs/dbraw/zinc/05/75/47/292057547.db2.gz QJQSOHYOZXKCIW-KZNAEPCWSA-N 1 3 311.433 2.278 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@@H]2CCCCCN2)C1 ZINC000563959879 292081969 /nfs/dbraw/zinc/08/19/69/292081969.db2.gz OCGMNOJNSPUQSI-TWMKSMIVSA-N 1 3 307.482 2.382 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@H]2CCCCCN2)C1 ZINC000563959879 292081970 /nfs/dbraw/zinc/08/19/70/292081970.db2.gz OCGMNOJNSPUQSI-TWMKSMIVSA-N 1 3 307.482 2.382 20 0 DEADHO CCNC(=O)c1cccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)c1 ZINC000247034686 145124261 /nfs/dbraw/zinc/12/42/61/145124261.db2.gz NUVYIHCEZLWFOH-JKIFEVAISA-N 1 3 303.450 2.255 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)C[C@@H](C)O1 ZINC000247139519 145127651 /nfs/dbraw/zinc/12/76/51/145127651.db2.gz WDYMDVRPHJXSFU-CWQOZTLDSA-N 1 3 311.514 2.194 20 0 DEADHO C[C@H]([NH2+]C[C@H]1CC[C@@H](O)C1)c1cccc(OCCN(C)C)c1 ZINC000249136809 145179651 /nfs/dbraw/zinc/17/96/51/145179651.db2.gz VOIHRIACVLUIPJ-YQQAZPJKSA-N 1 3 306.450 2.439 20 0 DEADHO c1cc2c(cc1CN1CCC([C@H]3CCC[NH2+]3)CC1)OCCO2 ZINC000261826835 145231015 /nfs/dbraw/zinc/23/10/15/145231015.db2.gz BEBIIHIVWBPICM-MRXNPFEDSA-N 1 3 302.418 2.422 20 0 DEADHO C[C@@H]1CN(CCC2CCN(C[C@@]3(C)CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000262017687 145253617 /nfs/dbraw/zinc/25/36/17/145253617.db2.gz MXCPOBVSBYILFW-LMMKCTJWSA-N 1 3 323.525 2.197 20 0 DEADHO C[NH2+]CCC1CCN(CC(=O)N(C2CC2)C2CCCC2)CC1 ZINC000262022951 145253743 /nfs/dbraw/zinc/25/37/43/145253743.db2.gz YKLNHIQWXZXASF-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@H](C)[C@@H](N)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000262128915 145264646 /nfs/dbraw/zinc/26/46/46/145264646.db2.gz LYODFYVQFZUEJI-CGTJXYLNSA-N 1 3 317.477 2.340 20 0 DEADHO CC[C@H](C)[C@@H](N)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000262128915 145264648 /nfs/dbraw/zinc/26/46/48/145264648.db2.gz LYODFYVQFZUEJI-CGTJXYLNSA-N 1 3 317.477 2.340 20 0 DEADHO Cc1nc2ccc(CN3CC[C@H](N4CC[NH2+]CC4)C3)cc2s1 ZINC000262168385 145267679 /nfs/dbraw/zinc/26/76/79/145267679.db2.gz UPSZYPSWETZCEZ-HNNXBMFYSA-N 1 3 316.474 2.084 20 0 DEADHO COc1cccc([C@H](CN[C@H]2CCCC[C@@H]2C[NH3+])N(C)C)c1 ZINC000262390179 145280530 /nfs/dbraw/zinc/28/05/30/145280530.db2.gz ZRPJLXUDSYNLIY-NJAFHUGGSA-N 1 3 305.466 2.405 20 0 DEADHO COc1cccc([C@H](C[NH2+][C@H]2CCCC[C@@H]2CN)N(C)C)c1 ZINC000262390179 145280532 /nfs/dbraw/zinc/28/05/32/145280532.db2.gz ZRPJLXUDSYNLIY-NJAFHUGGSA-N 1 3 305.466 2.405 20 0 DEADHO COc1cc2c(cc1OC)CN(C[C@@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000262532348 145290556 /nfs/dbraw/zinc/29/05/56/145290556.db2.gz PUILOSDWIYYSDF-ZIAGYGMSSA-N 1 3 304.434 2.450 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)C[NH2+]CC2CC2)CCN1Cc1ccccc1 ZINC000262642995 145297743 /nfs/dbraw/zinc/29/77/43/145297743.db2.gz LSHZPHWYUQOAHS-QAPCUYQASA-N 1 3 315.461 2.155 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)CC1 ZINC000305833117 145347132 /nfs/dbraw/zinc/34/71/32/145347132.db2.gz FCHQINWSXLVCJQ-IAGOWNOFSA-N 1 3 317.477 2.031 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@H]([C@@H](C)O)C2)CC1 ZINC000305833117 145347133 /nfs/dbraw/zinc/34/71/33/145347133.db2.gz FCHQINWSXLVCJQ-IAGOWNOFSA-N 1 3 317.477 2.031 20 0 DEADHO CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309732057 145350164 /nfs/dbraw/zinc/35/01/64/145350164.db2.gz SJRNSEBGADGWON-RYRKJORJSA-N 1 3 317.477 2.400 20 0 DEADHO CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309732058 145350709 /nfs/dbraw/zinc/35/07/09/145350709.db2.gz SJRNSEBGADGWON-SOLBZPMBSA-N 1 3 317.477 2.400 20 0 DEADHO Cc1cc(Cl)cc(C)c1CN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000346997077 146176460 /nfs/dbraw/zinc/17/64/60/146176460.db2.gz CFVVMUNNYIPENL-AWEZNQCLSA-N 1 3 323.868 2.244 20 0 DEADHO CCOC(=O)COc1ccc(CN2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000347032910 146183619 /nfs/dbraw/zinc/18/36/19/146183619.db2.gz ALDBMMWRSLJDRI-AWEZNQCLSA-N 1 3 320.433 2.188 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000349117690 146351577 /nfs/dbraw/zinc/35/15/77/146351577.db2.gz KWQZKXQOMAGMJM-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000349117690 146351579 /nfs/dbraw/zinc/35/15/79/146351579.db2.gz KWQZKXQOMAGMJM-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000349117688 146351606 /nfs/dbraw/zinc/35/16/06/146351606.db2.gz KWQZKXQOMAGMJM-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000349117688 146351609 /nfs/dbraw/zinc/35/16/09/146351609.db2.gz KWQZKXQOMAGMJM-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@H]1C[C@@H](NCCc2ncn(C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000358371854 147121559 /nfs/dbraw/zinc/12/15/59/147121559.db2.gz AYVAPQVWGCWGEM-WBVHZDCISA-N 1 3 313.449 2.000 20 0 DEADHO C[C@@H]1C[C@@H](NCCc2ncn(C)n2)CC[N@H+]1Cc1ccccc1 ZINC000358371854 147121562 /nfs/dbraw/zinc/12/15/62/147121562.db2.gz AYVAPQVWGCWGEM-WBVHZDCISA-N 1 3 313.449 2.000 20 0 DEADHO CC[N@H+](CCC1CCN(CCn2cncn2)CC1)CC(C)C ZINC000358735557 147193359 /nfs/dbraw/zinc/19/33/59/147193359.db2.gz JIMJQNABLSNRNK-UHFFFAOYSA-N 1 3 307.486 2.358 20 0 DEADHO CC[N@@H+](CCC1CCN(CCn2cncn2)CC1)CC(C)C ZINC000358735557 147193362 /nfs/dbraw/zinc/19/33/62/147193362.db2.gz JIMJQNABLSNRNK-UHFFFAOYSA-N 1 3 307.486 2.358 20 0 DEADHO C[C@@H](CNC(=O)[C@@H](CN)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000358863962 147220438 /nfs/dbraw/zinc/22/04/38/147220438.db2.gz WVJAKYJYMUODOA-KEYYUXOJSA-N 1 3 321.440 2.105 20 0 DEADHO C[C@@H](CNC(=O)[C@@H](CN)c1ccc(F)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000358863962 147220439 /nfs/dbraw/zinc/22/04/39/147220439.db2.gz WVJAKYJYMUODOA-KEYYUXOJSA-N 1 3 321.440 2.105 20 0 DEADHO C[C@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)[C@H]1CCCOC1 ZINC000359220939 147284741 /nfs/dbraw/zinc/28/47/41/147284741.db2.gz CCMUBYIEHVCRPH-ZYSHUDEJSA-N 1 3 318.461 2.158 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000360804646 147387674 /nfs/dbraw/zinc/38/76/74/147387674.db2.gz YFIFKFVCFRNDIX-HRCADAONSA-N 1 3 312.502 2.088 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000360804646 147387675 /nfs/dbraw/zinc/38/76/75/147387675.db2.gz YFIFKFVCFRNDIX-HRCADAONSA-N 1 3 312.502 2.088 20 0 DEADHO CCOC(=O)N1CC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000375094576 148331086 /nfs/dbraw/zinc/33/10/86/148331086.db2.gz OKIMKIBUSVWACO-HNNXBMFYSA-N 1 3 309.454 2.214 20 0 DEADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000565845026 292186822 /nfs/dbraw/zinc/18/68/22/292186822.db2.gz ISUMPCOGUPVELM-ARFHVFGLSA-N 1 3 310.486 2.018 20 0 DEADHO C[C@@H]([NH3+])C[C@@H](C)NCc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000566009804 292197229 /nfs/dbraw/zinc/19/72/29/292197229.db2.gz MIKTXYLGQSJOMR-VXGBXAGGSA-N 1 3 316.405 2.063 20 0 DEADHO CC(C)Oc1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)N)cc1 ZINC000566089615 292203690 /nfs/dbraw/zinc/20/36/90/292203690.db2.gz YDRFCKDAAXJHEV-ZTFGCOKTSA-N 1 3 306.450 2.358 20 0 DEADHO CC(C)Oc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000566089615 292203691 /nfs/dbraw/zinc/20/36/91/292203691.db2.gz YDRFCKDAAXJHEV-ZTFGCOKTSA-N 1 3 306.450 2.358 20 0 DEADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)Nc1ccc(N2CCNCC2)cn1 ZINC000566088011 292203769 /nfs/dbraw/zinc/20/37/69/292203769.db2.gz KWDBOPAQYNNLBY-JKSUJKDBSA-N 1 3 317.481 2.214 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000111834861 401725200 /nfs/dbraw/zinc/72/52/00/401725200.db2.gz YSVKBFOBDSJQQE-IAGOWNOFSA-N 1 3 324.513 2.282 20 0 DEADHO CC[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2C)CC1)N(C)C ZINC000126438583 401694481 /nfs/dbraw/zinc/69/44/81/401694481.db2.gz BKQWFKOHOGMCCW-SFHVURJKSA-N 1 3 317.477 2.416 20 0 DEADHO C[C@H]1CC[C@H](CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000126482771 401695987 /nfs/dbraw/zinc/69/59/87/401695987.db2.gz FNHNMMLCJFORRM-HOTGVXAUSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)N(C)C ZINC000126502422 401697511 /nfs/dbraw/zinc/69/75/11/401697511.db2.gz CKRIRAYGFUEERE-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](NCCc2nccs2)[C@H](C)C1 ZINC000127888409 401754425 /nfs/dbraw/zinc/75/44/25/401754425.db2.gz WPUWMZVIRBGRBX-CABCVRRESA-N 1 3 311.495 2.412 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](NCCc2nccs2)[C@H](C)C1 ZINC000127888409 401754429 /nfs/dbraw/zinc/75/44/29/401754429.db2.gz WPUWMZVIRBGRBX-CABCVRRESA-N 1 3 311.495 2.412 20 0 DEADHO NC(=O)[C@H]1CCC[N@H+](CCCN[C@@H]2CCCc3ccccc32)C1 ZINC000128160058 401765337 /nfs/dbraw/zinc/76/53/37/401765337.db2.gz UWHRXNKNHNECOS-FUHWJXTLSA-N 1 3 315.461 2.241 20 0 DEADHO NC(=O)[C@H]1CCC[N@@H+](CCCN[C@@H]2CCCc3ccccc32)C1 ZINC000128160058 401765338 /nfs/dbraw/zinc/76/53/38/401765338.db2.gz UWHRXNKNHNECOS-FUHWJXTLSA-N 1 3 315.461 2.241 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076115048 401783386 /nfs/dbraw/zinc/78/33/86/401783386.db2.gz IOWYCPIDKRPTNB-INIZCTEOSA-N 1 3 315.461 2.383 20 0 DEADHO O=C(C[C@@H]1CC[NH2+]C1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000130558160 401835719 /nfs/dbraw/zinc/83/57/19/401835719.db2.gz LCLOPYJWDDYHHL-GJZGRUSLSA-N 1 3 321.490 2.076 20 0 DEADHO CC(C)C1CCC(N2CCN(C(=O)C[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000130895233 401840515 /nfs/dbraw/zinc/84/05/15/401840515.db2.gz MCIIWXFRSANUEP-AOCRQIFASA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000116065124 401841258 /nfs/dbraw/zinc/84/12/58/401841258.db2.gz YYZMZIPYLFRLIT-PBHICJAKSA-N 1 3 301.434 2.080 20 0 DEADHO CCN(CC)CCC[NH2+][C@H](C)Cn1cc(Br)cn1 ZINC000131431666 401850604 /nfs/dbraw/zinc/85/06/04/401850604.db2.gz PMRMGPFFFRVOOA-GFCCVEGCSA-N 1 3 317.275 2.356 20 0 DEADHO CCN1CCC(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000116522345 401854105 /nfs/dbraw/zinc/85/41/05/401854105.db2.gz TVMDKIUPPDIKBO-OAHLLOKOSA-N 1 3 312.502 2.136 20 0 DEADHO COc1cccc([C@H](C[NH2+][C@@H]2CCN(C)[C@H](C)C2)N(C)C)c1 ZINC000133620683 401892528 /nfs/dbraw/zinc/89/25/28/401892528.db2.gz DEWWANONOOYZOW-KYJSFNMBSA-N 1 3 305.466 2.370 20 0 DEADHO COc1cccc([C@H](CN[C@@H]2CC[N@H+](C)[C@H](C)C2)N(C)C)c1 ZINC000133620683 401892530 /nfs/dbraw/zinc/89/25/30/401892530.db2.gz DEWWANONOOYZOW-KYJSFNMBSA-N 1 3 305.466 2.370 20 0 DEADHO COc1cccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)N(C)C)c1 ZINC000133620683 401892533 /nfs/dbraw/zinc/89/25/33/401892533.db2.gz DEWWANONOOYZOW-KYJSFNMBSA-N 1 3 305.466 2.370 20 0 DEADHO CCCCCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051243604 402033453 /nfs/dbraw/zinc/03/34/53/402033453.db2.gz SJNPUMLNWYSZQB-UHFFFAOYSA-N 1 3 324.513 2.425 20 0 DEADHO CC[C@H](C(=O)NC1CC[NH+](Cc2cccc(C)c2)CC1)N(C)C ZINC000152074483 402074030 /nfs/dbraw/zinc/07/40/30/402074030.db2.gz HHCHWTCYJANEAR-GOSISDBHSA-N 1 3 317.477 2.416 20 0 DEADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000098030417 402134767 /nfs/dbraw/zinc/13/47/67/402134767.db2.gz VHNLHWCQESCHPO-IXDOHACOSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000098030417 402134768 /nfs/dbraw/zinc/13/47/68/402134768.db2.gz VHNLHWCQESCHPO-IXDOHACOSA-N 1 3 324.513 2.280 20 0 DEADHO CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](C)N[C@@H](C)C2)cc1)C1CC1 ZINC000153998228 402185959 /nfs/dbraw/zinc/18/59/59/402185959.db2.gz GIQQXEMRMBFPQF-GASCZTMLSA-N 1 3 315.461 2.493 20 0 DEADHO CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](C)N[C@@H](C)C2)cc1)C1CC1 ZINC000153998228 402185961 /nfs/dbraw/zinc/18/59/61/402185961.db2.gz GIQQXEMRMBFPQF-GASCZTMLSA-N 1 3 315.461 2.493 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cnn(C(C)C)c2)CC1 ZINC000155725620 402265899 /nfs/dbraw/zinc/26/58/99/402265899.db2.gz GMDJVZJMTZCFML-HOTGVXAUSA-N 1 3 307.486 2.141 20 0 DEADHO CCC(CC)(C[NH3+])C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000236709995 402376411 /nfs/dbraw/zinc/37/64/11/402376411.db2.gz ZTRDJYDYVNTHTJ-UHFFFAOYSA-N 1 3 307.438 2.331 20 0 DEADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000186094412 402400875 /nfs/dbraw/zinc/40/08/75/402400875.db2.gz PQZAIAYRFYXJNN-GVDBMIGSSA-N 1 3 324.513 2.375 20 0 DEADHO C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000237318234 402403821 /nfs/dbraw/zinc/40/38/21/402403821.db2.gz XIWWWTBDRHTFQQ-ZBFHGGJFSA-N 1 3 321.440 2.009 20 0 DEADHO C[C@@H](CC(=O)NCc1ccccc1CN(C)C)[C@H]1CCC[NH2+]C1 ZINC000237477939 402409488 /nfs/dbraw/zinc/40/94/88/402409488.db2.gz UNYINGJTGHJVIK-HOTGVXAUSA-N 1 3 317.477 2.390 20 0 DEADHO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000237624812 402416068 /nfs/dbraw/zinc/41/60/68/402416068.db2.gz ARNKSYOYYMBVPW-WMLDXEAASA-N 1 3 301.434 2.234 20 0 DEADHO Cc1cc(NC(=O)C(C)(C)C[NH3+])ccc1OCCN1CCCC1 ZINC000237743402 402419427 /nfs/dbraw/zinc/41/94/27/402419427.db2.gz MSXHJMDVZKRHLC-UHFFFAOYSA-N 1 3 319.449 2.393 20 0 DEADHO Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000162819793 402433100 /nfs/dbraw/zinc/43/31/00/402433100.db2.gz WIPAPYDMWLHDDH-KZNAEPCWSA-N 1 3 318.461 2.151 20 0 DEADHO Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000162819793 402433101 /nfs/dbraw/zinc/43/31/01/402433101.db2.gz WIPAPYDMWLHDDH-KZNAEPCWSA-N 1 3 318.461 2.151 20 0 DEADHO CC[C@H](C)[C@@H](N)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000237036579 402392259 /nfs/dbraw/zinc/39/22/59/402392259.db2.gz LYODFYVQFZUEJI-RYQLBKOJSA-N 1 3 317.477 2.340 20 0 DEADHO CC[C@H](C)[C@@H](N)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000237036579 402392262 /nfs/dbraw/zinc/39/22/62/402392262.db2.gz LYODFYVQFZUEJI-RYQLBKOJSA-N 1 3 317.477 2.340 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@H]2C[C@H](C)N(C)C[C@H]2C)C[C@H](C)O1 ZINC000178036741 402454242 /nfs/dbraw/zinc/45/42/42/402454242.db2.gz WDYMDVRPHJXSFU-WKULXVSPSA-N 1 3 311.514 2.194 20 0 DEADHO N[C@H](Cc1ccccc1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000164686296 402466873 /nfs/dbraw/zinc/46/68/73/402466873.db2.gz ZQSOWVPPDRGOHE-GOSISDBHSA-N 1 3 315.461 2.080 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]1)c1ccsc1 ZINC000164904909 402470350 /nfs/dbraw/zinc/47/03/50/402470350.db2.gz UWPAPBBNPAYYNM-GJZGRUSLSA-N 1 3 309.479 2.389 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000245663310 402477666 /nfs/dbraw/zinc/47/76/66/402477666.db2.gz DKQOYJUZTJPERU-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000245663310 402477669 /nfs/dbraw/zinc/47/76/69/402477669.db2.gz DKQOYJUZTJPERU-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)C1CC[NH2+]CC1 ZINC000165894779 402480161 /nfs/dbraw/zinc/48/01/61/402480161.db2.gz DXOUWJSLZXGAFD-GOSISDBHSA-N 1 3 315.461 2.157 20 0 DEADHO Cc1noc(C)c1CCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000166220593 402482511 /nfs/dbraw/zinc/48/25/11/402482511.db2.gz YCSNDDBXHUABOI-UHFFFAOYSA-N 1 3 321.465 2.411 20 0 DEADHO O=C(C[C@@H]1CCC[NH2+]1)NCC1CCN(Cc2cccs2)CC1 ZINC000166213111 402482685 /nfs/dbraw/zinc/48/26/85/402482685.db2.gz SCSTWQRKIJWPLW-HNNXBMFYSA-N 1 3 321.490 2.218 20 0 DEADHO CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N(C)C ZINC000178318657 402484825 /nfs/dbraw/zinc/48/48/25/402484825.db2.gz FUNYOCOCPFLFAS-QGZVFWFLSA-N 1 3 303.450 2.239 20 0 DEADHO CN1CCC(Nc2ccccc2NC(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000166853294 402487604 /nfs/dbraw/zinc/48/76/04/402487604.db2.gz NQQHOKHEARKEBQ-OAHLLOKOSA-N 1 3 316.449 2.273 20 0 DEADHO COCC[C@@](C)(O)CNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000178375097 402491234 /nfs/dbraw/zinc/49/12/34/402491234.db2.gz VRRITLXJJNGJPL-CGTJXYLNSA-N 1 3 312.498 2.407 20 0 DEADHO COCC[C@@](C)(O)C[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000178375097 402491236 /nfs/dbraw/zinc/49/12/36/402491236.db2.gz VRRITLXJJNGJPL-CGTJXYLNSA-N 1 3 312.498 2.407 20 0 DEADHO CCN1CCN(CCCC[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000245932781 402499098 /nfs/dbraw/zinc/49/90/98/402499098.db2.gz SSNHCAGVUOMSDG-KZNAEPCWSA-N 1 3 323.525 2.197 20 0 DEADHO C[NH+](C)CCn1ccc2ccc(NC(=O)CNCC3CC3)cc21 ZINC000169235645 402501351 /nfs/dbraw/zinc/50/13/51/402501351.db2.gz GTQFGVFCUJGUAZ-UHFFFAOYSA-N 1 3 314.433 2.141 20 0 DEADHO Clc1cccc(CN2CCN(CC3CC[NH2+]CC3)CC2)c1 ZINC000178977827 402561120 /nfs/dbraw/zinc/56/11/20/402561120.db2.gz PHUOGUOZFJZSJW-UHFFFAOYSA-N 1 3 307.869 2.457 20 0 DEADHO C[C@@H]([NH3+])CCNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000178656229 402522339 /nfs/dbraw/zinc/52/23/39/402522339.db2.gz ZINGLLDFMPFYSP-CVEARBPZSA-N 1 3 317.477 2.183 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000246406579 402529483 /nfs/dbraw/zinc/52/94/83/402529483.db2.gz KJWCCAFUBOVCFY-BRWVUGGUSA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC000246412581 402529954 /nfs/dbraw/zinc/52/99/54/402529954.db2.gz MDADKSMUVDMNIF-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC000246412581 402529956 /nfs/dbraw/zinc/52/99/56/402529956.db2.gz MDADKSMUVDMNIF-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]Cc2cn3ccccc3n2)C[C@H](C)O1 ZINC000171381492 402582749 /nfs/dbraw/zinc/58/27/49/402582749.db2.gz UZBCFYHCYVKOQG-IYBDPMFKSA-N 1 3 316.449 2.313 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC2CCN(c3ccncc3)CC2)CCN1C ZINC000179468540 402590908 /nfs/dbraw/zinc/59/09/08/402590908.db2.gz DDNKRVWLBQXOKR-NVXWUHKLSA-N 1 3 302.466 2.370 20 0 DEADHO C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000248995973 402617307 /nfs/dbraw/zinc/61/73/07/402617307.db2.gz HUUVPJSXNAGEKN-MUQADHOPSA-N 1 3 317.477 2.481 20 0 DEADHO CN1CCC[C@H](CNC(=O)C[C@H]2CC[NH2+]C2)[C@H]1c1cccs1 ZINC000249588064 402635644 /nfs/dbraw/zinc/63/56/44/402635644.db2.gz UOCLJPSDKIMXLX-CPUCHLNUSA-N 1 3 321.490 2.247 20 0 DEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000251667247 402649020 /nfs/dbraw/zinc/64/90/20/402649020.db2.gz LLDKGVCYKYBEJW-BZUAXINKSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)N1CCC(C)CC1 ZINC000252651757 402660247 /nfs/dbraw/zinc/66/02/47/402660247.db2.gz IRYHKUTUWZJTPK-BRWVUGGUSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)N1CCC(C)CC1 ZINC000252651757 402660248 /nfs/dbraw/zinc/66/02/48/402660248.db2.gz IRYHKUTUWZJTPK-BRWVUGGUSA-N 1 3 324.513 2.088 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)C1 ZINC000174757591 402755706 /nfs/dbraw/zinc/75/57/06/402755706.db2.gz LEIMSHMXBWDXDX-TWMKSMIVSA-N 1 3 309.498 2.438 20 0 DEADHO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000262358035 402724830 /nfs/dbraw/zinc/72/48/30/402724830.db2.gz WAFJWKBXJZBHQT-GVDBMIGSSA-N 1 3 301.434 2.067 20 0 DEADHO Cc1ccc([C@H](CNC(=O)C[C@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000166330420 292251915 /nfs/dbraw/zinc/25/19/15/292251915.db2.gz QWQRYJVKRRMLMF-MSOLQXFVSA-N 1 3 315.461 2.390 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)N1CCC(C)CC1 ZINC000176012298 402847724 /nfs/dbraw/zinc/84/77/24/402847724.db2.gz XIPVCZJSKNPOMS-ZACQAIPSSA-N 1 3 324.513 2.279 20 0 DEADHO c1ncn(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000278791600 402871468 /nfs/dbraw/zinc/87/14/68/402871468.db2.gz QKUWVDZSNVDBHX-BCDXTJNWSA-N 1 3 311.433 2.063 20 0 DEADHO c1ncn(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000278791600 402871470 /nfs/dbraw/zinc/87/14/70/402871470.db2.gz QKUWVDZSNVDBHX-BCDXTJNWSA-N 1 3 311.433 2.063 20 0 DEADHO C[C@H](NC(=O)/C=C/CN(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272237567 402913421 /nfs/dbraw/zinc/91/34/21/402913421.db2.gz FUJYTKHSOWKJIA-HBEJGUJUSA-N 1 3 315.461 2.131 20 0 DEADHO C[C@H](NC(=O)/C=C/CN(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272237567 402913422 /nfs/dbraw/zinc/91/34/22/402913422.db2.gz FUJYTKHSOWKJIA-HBEJGUJUSA-N 1 3 315.461 2.131 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000279210605 402916989 /nfs/dbraw/zinc/91/69/89/402916989.db2.gz NSYBLHBALJYKIJ-SZMVWBNQSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000279210605 402916990 /nfs/dbraw/zinc/91/69/90/402916990.db2.gz NSYBLHBALJYKIJ-SZMVWBNQSA-N 1 3 315.461 2.107 20 0 DEADHO COCCOCCN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272388711 402931000 /nfs/dbraw/zinc/93/10/00/402931000.db2.gz CNKNUCHCTIOKKA-FUHWJXTLSA-N 1 3 306.450 2.150 20 0 DEADHO COCCOCCN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272388711 402931002 /nfs/dbraw/zinc/93/10/02/402931002.db2.gz CNKNUCHCTIOKKA-FUHWJXTLSA-N 1 3 306.450 2.150 20 0 DEADHO CCC[C@H](N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000272412252 402933851 /nfs/dbraw/zinc/93/38/51/402933851.db2.gz FQOJYQHJLVQHAS-PBHICJAKSA-N 1 3 319.449 2.473 20 0 DEADHO CCC[C@H](N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000272412252 402933853 /nfs/dbraw/zinc/93/38/53/402933853.db2.gz FQOJYQHJLVQHAS-PBHICJAKSA-N 1 3 319.449 2.473 20 0 DEADHO CCC[C@@H](N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000272412257 402933961 /nfs/dbraw/zinc/93/39/61/402933961.db2.gz FQOJYQHJLVQHAS-RHSMWYFYSA-N 1 3 319.449 2.473 20 0 DEADHO CCC[C@@H](N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000272412257 402933962 /nfs/dbraw/zinc/93/39/62/402933962.db2.gz FQOJYQHJLVQHAS-RHSMWYFYSA-N 1 3 319.449 2.473 20 0 DEADHO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)C12CCC2 ZINC000362032685 286289959 /nfs/dbraw/zinc/28/99/59/286289959.db2.gz PDFKUMSGWJMXJO-KBAYOESNSA-N 1 3 321.509 2.092 20 0 DEADHO CC(C)[C@@H](C)[N@H+](C)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000274656144 403075194 /nfs/dbraw/zinc/07/51/94/403075194.db2.gz ODQZJBMCJHJCFG-NVXWUHKLSA-N 1 3 305.466 2.382 20 0 DEADHO CC(C)[C@@H](C)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000274656144 403075197 /nfs/dbraw/zinc/07/51/97/403075197.db2.gz ODQZJBMCJHJCFG-NVXWUHKLSA-N 1 3 305.466 2.382 20 0 DEADHO C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000274752492 403084385 /nfs/dbraw/zinc/08/43/85/403084385.db2.gz XINCYJBVWKQPMS-PBHICJAKSA-N 1 3 303.450 2.136 20 0 DEADHO CN1CCC(NC(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275570312 403106578 /nfs/dbraw/zinc/10/65/78/403106578.db2.gz CJGOAWTZKIFBBR-UHFFFAOYSA-N 1 3 304.438 2.006 20 0 DEADHO CN1CC=C(CNC(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275583179 403107414 /nfs/dbraw/zinc/10/74/14/403107414.db2.gz DQTMUZKFVPRBLD-UHFFFAOYSA-N 1 3 316.449 2.174 20 0 DEADHO CC(C)(C)C1CCC(C[N@@H+]2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000566629979 292257125 /nfs/dbraw/zinc/25/71/25/292257125.db2.gz MZWMGIIGTWXFAH-QDIHITRGSA-N 1 3 307.482 2.083 20 0 DEADHO CC(C)(C)C1CCC(C[N@H+]2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000566629979 292257126 /nfs/dbraw/zinc/25/71/26/292257126.db2.gz MZWMGIIGTWXFAH-QDIHITRGSA-N 1 3 307.482 2.083 20 0 DEADHO CCN1CC[C@H]([NH2+]CC2(N(C)C)Cc3ccccc3C2)[C@@H](C)C1 ZINC000268886959 403120796 /nfs/dbraw/zinc/12/07/96/403120796.db2.gz LOMXQBSDRBOVKW-LPHOPBHVSA-N 1 3 315.505 2.406 20 0 DEADHO CN(C)[C@H]1CCC[N@H+](CCC(=O)N(C)c2ccccc2)CC1 ZINC000277268055 403199872 /nfs/dbraw/zinc/19/98/72/403199872.db2.gz RISYJQHEIPOMRW-INIZCTEOSA-N 1 3 303.450 2.456 20 0 DEADHO CN(C)[C@H]1CCC[N@@H+](CCC(=O)N(C)c2ccccc2)CC1 ZINC000277268055 403199873 /nfs/dbraw/zinc/19/98/73/403199873.db2.gz RISYJQHEIPOMRW-INIZCTEOSA-N 1 3 303.450 2.456 20 0 DEADHO CSc1ccc([C@@H](CNC(=O)N(C)CCC[NH3+])N(C)C)cc1 ZINC000566786886 292267797 /nfs/dbraw/zinc/26/77/97/292267797.db2.gz AXQDNXUCDXTLTF-OAHLLOKOSA-N 1 3 324.494 2.001 20 0 DEADHO C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)N(C)C ZINC000298342276 403361639 /nfs/dbraw/zinc/36/16/39/403361639.db2.gz JDCVGCNZIOUNHS-HNNXBMFYSA-N 1 3 303.450 2.352 20 0 DEADHO C[C@H]1C[C@H](NC(=O)[C@H]2CCC[NH2+][C@H]2C)CN1Cc1ccccc1 ZINC000342715004 403318924 /nfs/dbraw/zinc/31/89/24/403318924.db2.gz ULWRHBFGVSONDE-LAQRGFTBSA-N 1 3 315.461 2.154 20 0 DEADHO C[C@@H]1CN(CCC[NH2+]Cc2cnc(C(C)(C)C)nc2)CCCO1 ZINC000342847361 403371370 /nfs/dbraw/zinc/37/13/70/403371370.db2.gz QCNZNQZOZMPCSP-OAHLLOKOSA-N 1 3 320.481 2.365 20 0 DEADHO c1cc(OCCNC2CC[NH+](C3CC3)CC2)cc2c1OCO2 ZINC000298481664 403392203 /nfs/dbraw/zinc/39/22/03/403392203.db2.gz PMFLQVHANCKJHL-UHFFFAOYSA-N 1 3 304.390 2.011 20 0 DEADHO C[NH2+]CCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000285846844 403394089 /nfs/dbraw/zinc/39/40/89/403394089.db2.gz XGOGSUNUDXZKIW-WBVHZDCISA-N 1 3 303.450 2.107 20 0 DEADHO Cn1cc(CN2CCC(OCC[NH+](C)C)CC2)c(C(C)(C)C)n1 ZINC000342916219 403395315 /nfs/dbraw/zinc/39/53/15/403395315.db2.gz IPLFKOVJVWVFLH-UHFFFAOYSA-N 1 3 322.497 2.260 20 0 DEADHO Cc1nccn1C[C@H](C)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298500925 403397859 /nfs/dbraw/zinc/39/78/59/403397859.db2.gz QKVINXRHHMGFOO-OAHLLOKOSA-N 1 3 313.449 2.481 20 0 DEADHO CC[C@@H](C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)N(C)C ZINC000298501572 403398039 /nfs/dbraw/zinc/39/80/39/403398039.db2.gz AVJZDRKZRXUXRJ-INIZCTEOSA-N 1 3 307.438 2.043 20 0 DEADHO C[C@@H](CCNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)[NH+]1CCCCC1 ZINC000345672784 403430502 /nfs/dbraw/zinc/43/05/02/403430502.db2.gz SIJFDEJCBHTZLI-HLLBOEOZSA-N 1 3 322.497 2.033 20 0 DEADHO Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)C2=CCN(C)CC2)c(C)c1 ZINC000566851329 292272269 /nfs/dbraw/zinc/27/22/69/292272269.db2.gz CDRALBNBRSCRRM-WMZOPIPTSA-N 1 3 318.461 2.283 20 0 DEADHO C[C@H](CCNC(=O)N[C@@H](C)C1=CCN(C)CC1)[NH+]1CCCCC1 ZINC000345728562 403457923 /nfs/dbraw/zinc/45/79/23/403457923.db2.gz NXSNPSGTISVDJH-CVEARBPZSA-N 1 3 322.497 2.201 20 0 DEADHO C[N@H+](CCNC(=O)c1ccc(Nc2ccncc2)cc1)C1CC1 ZINC000345796921 403487783 /nfs/dbraw/zinc/48/77/83/403487783.db2.gz WBUWACSZPQRRFJ-UHFFFAOYSA-N 1 3 310.401 2.071 20 0 DEADHO C[N@@H+](CCNC(=O)c1ccc(Nc2ccncc2)cc1)C1CC1 ZINC000345796921 403487788 /nfs/dbraw/zinc/48/77/88/403487788.db2.gz WBUWACSZPQRRFJ-UHFFFAOYSA-N 1 3 310.401 2.071 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)N1CCCCC1 ZINC000346335271 403585825 /nfs/dbraw/zinc/58/58/25/403585825.db2.gz XYSGTIIRAJCWJJ-AEFFLSMTSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)N1CCCCC1 ZINC000346335271 403585828 /nfs/dbraw/zinc/58/58/28/403585828.db2.gz XYSGTIIRAJCWJJ-AEFFLSMTSA-N 1 3 307.482 2.051 20 0 DEADHO CN1CC=C(CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000343415458 403579320 /nfs/dbraw/zinc/57/93/20/403579320.db2.gz WMTQBAACJVPGRN-QGZVFWFLSA-N 1 3 322.497 2.058 20 0 DEADHO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)CN2[C@H](C)CC[C@@H]2C)C[C@@H](C)C1 ZINC000346230221 403580532 /nfs/dbraw/zinc/58/05/32/403580532.db2.gz MGHVYCGWFVISIE-NNXHMXCWSA-N 1 3 307.482 2.048 20 0 DEADHO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)CN2[C@H](C)CC[C@@H]2C)C[C@@H](C)C1 ZINC000346230221 403580535 /nfs/dbraw/zinc/58/05/35/403580535.db2.gz MGHVYCGWFVISIE-NNXHMXCWSA-N 1 3 307.482 2.048 20 0 DEADHO CN(C(=O)C1(C)CCN(Cc2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000566968365 292280255 /nfs/dbraw/zinc/28/02/55/292280255.db2.gz UAUHZRMWRIKVJB-KRWDZBQOSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@@H](NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C(C)(C)n1cncn1 ZINC000340474872 403623962 /nfs/dbraw/zinc/62/39/62/403623962.db2.gz OVVWPAMVTBJLFD-BZUAXINKSA-N 1 3 307.486 2.359 20 0 DEADHO C[C@@H]([NH2+]CCCN1C[C@H](C)C[C@@H](C)C1)C(C)(C)n1cncn1 ZINC000340474872 403623963 /nfs/dbraw/zinc/62/39/63/403623963.db2.gz OVVWPAMVTBJLFD-BZUAXINKSA-N 1 3 307.486 2.359 20 0 DEADHO CC(C)[C@H](Cn1cccn1)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000340538157 403641458 /nfs/dbraw/zinc/64/14/58/403641458.db2.gz UBCVJSGNUKKVDV-KURKYZTESA-N 1 3 322.497 2.387 20 0 DEADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000340896273 403688798 /nfs/dbraw/zinc/68/87/98/403688798.db2.gz IVWLMPICQOPGNM-NJAFHUGGSA-N 1 3 315.461 2.137 20 0 DEADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000340896273 403688804 /nfs/dbraw/zinc/68/88/04/403688804.db2.gz IVWLMPICQOPGNM-NJAFHUGGSA-N 1 3 315.461 2.137 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000340956931 403713121 /nfs/dbraw/zinc/71/31/21/403713121.db2.gz OGTAVHABWRUJQQ-BRWVUGGUSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000341047827 403750911 /nfs/dbraw/zinc/75/09/11/403750911.db2.gz FUNLNKPULSTYRZ-OAGGEKHMSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000341047827 403750914 /nfs/dbraw/zinc/75/09/14/403750914.db2.gz FUNLNKPULSTYRZ-OAGGEKHMSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)CCCN1C ZINC000343835689 403752961 /nfs/dbraw/zinc/75/29/61/403752961.db2.gz CZWXMWNCBVWUGY-IAGOWNOFSA-N 1 3 324.513 2.425 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000303479915 403755377 /nfs/dbraw/zinc/75/53/77/403755377.db2.gz PPYCJBIQWHRMLS-IRXDYDNUSA-N 1 3 324.513 2.425 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000303479915 403755380 /nfs/dbraw/zinc/75/53/80/403755380.db2.gz PPYCJBIQWHRMLS-IRXDYDNUSA-N 1 3 324.513 2.425 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)CCN1C ZINC000341157618 403800167 /nfs/dbraw/zinc/80/01/67/403800167.db2.gz IBPUTQBBWIUHPF-IAGOWNOFSA-N 1 3 324.513 2.425 20 0 DEADHO COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccncc1OCCN(C)C ZINC000344080573 403895193 /nfs/dbraw/zinc/89/51/93/403895193.db2.gz OJSQHAOTUQIKFD-NVXWUHKLSA-N 1 3 321.465 2.317 20 0 DEADHO CCO[C@@H]1C[C@@H](NCc2ccncc2OCC[NH+](C)C)C1(C)C ZINC000344026531 403856297 /nfs/dbraw/zinc/85/62/97/403856297.db2.gz GSGYUQHRJCSCAO-IAGOWNOFSA-N 1 3 321.465 2.315 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)CCN1C ZINC000361778966 403861396 /nfs/dbraw/zinc/86/13/96/403861396.db2.gz AYRKEHUITLGOMB-ZBFHGGJFSA-N 1 3 322.497 2.175 20 0 DEADHO CCO[C@@H]1C[C@H](NC[C@H](O)C[NH+]2CCC(C)CC2)C12CCC2 ZINC000344109589 403915826 /nfs/dbraw/zinc/91/58/26/403915826.db2.gz SSMAPOIHPVHHHF-YESZJQIVSA-N 1 3 310.482 2.017 20 0 DEADHO OC[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCCO1 ZINC000411657956 403928852 /nfs/dbraw/zinc/92/88/52/403928852.db2.gz JYQYPPOYLFMNMK-RBUKOAKNSA-N 1 3 318.461 2.302 20 0 DEADHO [NH3+]CCCOC1CCN(Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000336867916 403942431 /nfs/dbraw/zinc/94/24/31/403942431.db2.gz QBVXOSADUNQCSI-UHFFFAOYSA-N 1 3 314.433 2.202 20 0 DEADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000351826280 403945830 /nfs/dbraw/zinc/94/58/30/403945830.db2.gz BGWMACUQUCHGJU-CRAIPNDOSA-N 1 3 315.461 2.094 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)CN1CCCCC1)[NH+]1CCCCC1 ZINC000354688645 403950807 /nfs/dbraw/zinc/95/08/07/403950807.db2.gz UXMZOMMTWKRNCR-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+](CCN1CCN(CC)CC1)C[C@H]1CCO[C@@H](C)C1 ZINC000344174686 403957301 /nfs/dbraw/zinc/95/73/01/403957301.db2.gz WSOZBANOISLFFT-ROUUACIJSA-N 1 3 311.514 2.151 20 0 DEADHO CCC[N@@H+](CCN1CCN(CC)CC1)C[C@H]1CCO[C@@H](C)C1 ZINC000344174686 403957313 /nfs/dbraw/zinc/95/73/13/403957313.db2.gz WSOZBANOISLFFT-ROUUACIJSA-N 1 3 311.514 2.151 20 0 DEADHO C[C@H]([NH2+][C@H]1CCCN(C)C1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000351886444 403985885 /nfs/dbraw/zinc/98/58/85/403985885.db2.gz KEHDLYJYRZIPCP-JQHSSLGASA-N 1 3 315.461 2.107 20 0 DEADHO CN(CC1CCN(C)CC1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000351891234 403988588 /nfs/dbraw/zinc/98/85/88/403988588.db2.gz OQYBWYNEEGEQEO-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO CN(C)CCN1CCC([NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000362922960 404004182 /nfs/dbraw/zinc/00/41/82/404004182.db2.gz GVGMIIRVUDVTFC-UHFFFAOYSA-N 1 3 318.440 2.423 20 0 DEADHO CC[N@@H+]1CC[C@H](NC[C@]2(CO)C[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000289884159 404005732 /nfs/dbraw/zinc/00/57/32/404005732.db2.gz SFFXNGRHZIOPDL-YSHGAJCASA-N 1 3 302.462 2.473 20 0 DEADHO CC[N@H+]1CC[C@H](NC[C@]2(CO)C[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000289884159 404005738 /nfs/dbraw/zinc/00/57/38/404005738.db2.gz SFFXNGRHZIOPDL-YSHGAJCASA-N 1 3 302.462 2.473 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000290204160 404079773 /nfs/dbraw/zinc/07/97/73/404079773.db2.gz RQDVZUVQWVTUTC-SJORKVTESA-N 1 3 321.440 2.104 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CCN1CCC[C@H](N2CCCC2=O)CC1 ZINC000412057041 404095422 /nfs/dbraw/zinc/09/54/22/404095422.db2.gz QAUWXSZOHLQHPP-SJORKVTESA-N 1 3 307.482 2.338 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CCN1CCC[C@H](N2CCCC2=O)CC1 ZINC000412057041 404095428 /nfs/dbraw/zinc/09/54/28/404095428.db2.gz QAUWXSZOHLQHPP-SJORKVTESA-N 1 3 307.482 2.338 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CCN1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412057037 404096063 /nfs/dbraw/zinc/09/60/63/404096063.db2.gz QAUWXSZOHLQHPP-IAGOWNOFSA-N 1 3 307.482 2.338 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CCN1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412057037 404096067 /nfs/dbraw/zinc/09/60/67/404096067.db2.gz QAUWXSZOHLQHPP-IAGOWNOFSA-N 1 3 307.482 2.338 20 0 DEADHO C[NH+](C)CCOc1ccc(NC(=O)C2(N)CCC2)cc1Cl ZINC000295979813 404036839 /nfs/dbraw/zinc/03/68/39/404036839.db2.gz JGKSPILECLSINV-UHFFFAOYSA-N 1 3 311.813 2.100 20 0 DEADHO CCN1CC[C@@H]([N@H+](C)CCCCCS(=O)(=O)CC)C[C@H]1C ZINC000354861123 404061891 /nfs/dbraw/zinc/06/18/91/404061891.db2.gz QGBCQOSFKBGRCT-HZPDHXFCSA-N 1 3 318.527 2.396 20 0 DEADHO CCN1CC[C@@H]([N@@H+](C)CCCCCS(=O)(=O)CC)C[C@H]1C ZINC000354861123 404061896 /nfs/dbraw/zinc/06/18/96/404061896.db2.gz QGBCQOSFKBGRCT-HZPDHXFCSA-N 1 3 318.527 2.396 20 0 DEADHO CN(C)C/C=C/C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000363765354 404220083 /nfs/dbraw/zinc/22/00/83/404220083.db2.gz CSDJVBBFVGHMCG-SSVWKNEZSA-N 1 3 315.461 2.275 20 0 DEADHO CN(C)C/C=C/C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000363765354 404220087 /nfs/dbraw/zinc/22/00/87/404220087.db2.gz CSDJVBBFVGHMCG-SSVWKNEZSA-N 1 3 315.461 2.275 20 0 DEADHO C[C@H](CC[NH+](C)C)N[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000363537763 404176121 /nfs/dbraw/zinc/17/61/21/404176121.db2.gz DZDIWACMFSRPAI-AOIWGVFYSA-N 1 3 319.493 2.206 20 0 DEADHO Cn1ccc(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)n1 ZINC000355068150 404195710 /nfs/dbraw/zinc/19/57/10/404195710.db2.gz VOTRDQHCDVTBKL-MISYRCLQSA-N 1 3 324.472 2.463 20 0 DEADHO Cn1ccc(CCN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)n1 ZINC000355068150 404195714 /nfs/dbraw/zinc/19/57/14/404195714.db2.gz VOTRDQHCDVTBKL-MISYRCLQSA-N 1 3 324.472 2.463 20 0 DEADHO Cn1ccc(CCN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)n1 ZINC000355068150 404195716 /nfs/dbraw/zinc/19/57/16/404195716.db2.gz VOTRDQHCDVTBKL-MISYRCLQSA-N 1 3 324.472 2.463 20 0 DEADHO C[C@H](CC(N)=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000341969447 404285825 /nfs/dbraw/zinc/28/58/25/404285825.db2.gz OZYVAUIKAQFEML-OAHLLOKOSA-N 1 3 303.450 2.416 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C12CCCN1CCC2 ZINC000355346114 404327248 /nfs/dbraw/zinc/32/72/48/404327248.db2.gz KHCNHCVSHHBVLN-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C12CCCN1CCC2 ZINC000355346114 404327253 /nfs/dbraw/zinc/32/72/53/404327253.db2.gz KHCNHCVSHHBVLN-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C)CCN(C(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC000291478595 404396166 /nfs/dbraw/zinc/39/61/66/404396166.db2.gz KFOAVQXEUFHHCC-UHFFFAOYSA-N 1 3 303.450 2.313 20 0 DEADHO C[C@@H](C(=O)N1CCCC12CC[NH+](C)CC2)N1CCCCCC1 ZINC000372433459 404498231 /nfs/dbraw/zinc/49/82/31/404498231.db2.gz IRQSILBRAJJHIQ-INIZCTEOSA-N 1 3 307.482 2.338 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352653381 404517718 /nfs/dbraw/zinc/51/77/18/404517718.db2.gz UENJINMIXLSDNX-FUHWJXTLSA-N 1 3 317.477 2.355 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352653381 404517719 /nfs/dbraw/zinc/51/77/19/404517719.db2.gz UENJINMIXLSDNX-FUHWJXTLSA-N 1 3 317.477 2.355 20 0 DEADHO COC(=O)[C@@H](C)Oc1ccc(CN2CCCC[C@H]2CC[NH3+])cc1 ZINC000352525407 404435708 /nfs/dbraw/zinc/43/57/08/404435708.db2.gz GIIGOTPFOVZNMM-ZBFHGGJFSA-N 1 3 320.433 2.330 20 0 DEADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(CO)cc2)C1 ZINC000352541017 404444386 /nfs/dbraw/zinc/44/43/86/404444386.db2.gz SLKBUTDPWBRYBG-GOSISDBHSA-N 1 3 306.450 2.112 20 0 DEADHO CN(C)Cc1ccc(-c2noc(CC3CC[NH2+]CC3)n2)cc1 ZINC000350732394 404454653 /nfs/dbraw/zinc/45/46/53/404454653.db2.gz NAXIDBHVPCUIKA-UHFFFAOYSA-N 1 3 300.406 2.340 20 0 DEADHO C[C@H](NC[C@H](O)COCc1cccs1)C(C)(C)C[NH+](C)C ZINC000567464217 292315262 /nfs/dbraw/zinc/31/52/62/292315262.db2.gz KCZFDBHCKRMLAE-KBPBESRZSA-N 1 3 314.495 2.192 20 0 DEADHO CCCC[C@@H](CC)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414197042 404545363 /nfs/dbraw/zinc/54/53/63/404545363.db2.gz PBOVMWXKHCEAAB-QGZVFWFLSA-N 1 3 311.514 2.341 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@H](c1ccccc1)N1CCCC1 ZINC000567490055 292317926 /nfs/dbraw/zinc/31/79/26/292317926.db2.gz GVGBYDUFMZWHAP-GDAAHCPNSA-N 1 3 317.477 2.165 20 0 DEADHO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC(C[NH+](C)C)CC1 ZINC000356569508 404597449 /nfs/dbraw/zinc/59/74/49/404597449.db2.gz MQPIHXTYWNSLGJ-XHSDSOJGSA-N 1 3 309.498 2.438 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000352898057 404685617 /nfs/dbraw/zinc/68/56/17/404685617.db2.gz DBUZOBLGQSWPDR-UHFFFAOYSA-N 1 3 324.513 2.236 20 0 DEADHO CC(=O)NCCN(Cc1ccsc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414768106 404728804 /nfs/dbraw/zinc/72/88/04/404728804.db2.gz ULOWIXYABWRUOO-ZFWWWQNUSA-N 1 3 309.479 2.074 20 0 DEADHO CCCCOc1ccccc1CNCCCN1CC[NH2+]CC1 ZINC000414781088 404733194 /nfs/dbraw/zinc/73/31/94/404733194.db2.gz MPSPBWRSZKHBAX-UHFFFAOYSA-N 1 3 305.466 2.250 20 0 DEADHO COc1cc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc2c1OCO2 ZINC000414785660 404735022 /nfs/dbraw/zinc/73/50/22/404735022.db2.gz SWZDZELXUXULHH-LSDHHAIUSA-N 1 3 318.417 2.245 20 0 DEADHO CN(C)c1ccccc1CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414796959 404737896 /nfs/dbraw/zinc/73/78/96/404737896.db2.gz YHVYWRYZIKBZLO-AEFFLSMTSA-N 1 3 303.450 2.081 20 0 DEADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC(C)(C)N ZINC000414805325 404739225 /nfs/dbraw/zinc/73/92/25/404739225.db2.gz OPHVOKDPPYQLCH-GFCCVEGCSA-N 1 3 311.857 2.404 20 0 DEADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@H](C[NH3+])C1CC1 ZINC000414806493 404739490 /nfs/dbraw/zinc/73/94/90/404739490.db2.gz QLTIWOLZVXXOLE-BLLLJJGKSA-N 1 3 323.868 2.404 20 0 DEADHO CCOc1c(CNCC[C@H]2CC[NH2+]C2)c(C)nn1CC(C)C ZINC000414841518 404745949 /nfs/dbraw/zinc/74/59/49/404745949.db2.gz YCNNLQXSAMLEIG-OAHLLOKOSA-N 1 3 308.470 2.335 20 0 DEADHO C[C@H](Cn1cc(Br)cn1)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414848267 404748049 /nfs/dbraw/zinc/74/80/49/404748049.db2.gz GFXRJZRKDGLZSB-WOPDTQHZSA-N 1 3 315.259 2.012 20 0 DEADHO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000414848267 404748050 /nfs/dbraw/zinc/74/80/50/404748050.db2.gz GFXRJZRKDGLZSB-WOPDTQHZSA-N 1 3 315.259 2.012 20 0 DEADHO C[C@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)[C@@H]1CCCNC1 ZINC000414858812 404750186 /nfs/dbraw/zinc/75/01/86/404750186.db2.gz SJFMQSQTTYOLOA-QWHCGFSZSA-N 1 3 307.404 2.381 20 0 DEADHO C[C@H](CC(=O)NCCc1ccccc1)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414858384 404750312 /nfs/dbraw/zinc/75/03/12/404750312.db2.gz RSJWJRZGPIUYMJ-RYRKJORJSA-N 1 3 317.477 2.102 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000358105762 404754344 /nfs/dbraw/zinc/75/43/44/404754344.db2.gz ISUYCXRQXGAHPA-ZBFHGGJFSA-N 1 3 310.486 2.031 20 0 DEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000358105762 404754345 /nfs/dbraw/zinc/75/43/45/404754345.db2.gz ISUYCXRQXGAHPA-ZBFHGGJFSA-N 1 3 310.486 2.031 20 0 DEADHO C[C@@H](CN)C[NH2+][C@@H](C)CCCCN1C(=O)c2ccccc2C1=O ZINC000414876332 404754599 /nfs/dbraw/zinc/75/45/99/404754599.db2.gz LFJFULQSYDGHEZ-KBPBESRZSA-N 1 3 317.433 2.026 20 0 DEADHO CCCC[C@H](C[NH3+])NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000414874953 404754744 /nfs/dbraw/zinc/75/47/44/404754744.db2.gz BLBTYEZSPVJRAN-OAHLLOKOSA-N 1 3 322.453 2.266 20 0 DEADHO COC(=O)c1cc2c(o1)c(OC)ccc2CN[C@@H](C)CC[NH3+] ZINC000414896642 404761166 /nfs/dbraw/zinc/76/11/66/404761166.db2.gz PPJQQBOHYZBRAX-JTQLQIEISA-N 1 3 306.362 2.055 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC[C@]1(C)CCC[NH2+]C1 ZINC000414898632 404761597 /nfs/dbraw/zinc/76/15/97/404761597.db2.gz BOJVNTRTTFSPMU-BHIYHBOVSA-N 1 3 301.478 2.486 20 0 DEADHO C[C@]1(C[NH2+]C2CCN(Cc3ccncc3)CC2)CCCNC1 ZINC000414918252 404766018 /nfs/dbraw/zinc/76/60/18/404766018.db2.gz TZLLRLNWMUDWPU-SFHVURJKSA-N 1 3 302.466 2.025 20 0 DEADHO CC(C)(C)[C@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414717186 404715850 /nfs/dbraw/zinc/71/58/50/404715850.db2.gz XVIHKKMXYVDZNX-CVEARBPZSA-N 1 3 309.498 2.332 20 0 DEADHO CC(C)(C)[C@H]1CCC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414717186 404715854 /nfs/dbraw/zinc/71/58/54/404715854.db2.gz XVIHKKMXYVDZNX-CVEARBPZSA-N 1 3 309.498 2.332 20 0 DEADHO COc1ccc2c(c1OC)CCN(C[C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC000414751307 404724494 /nfs/dbraw/zinc/72/44/94/404724494.db2.gz AEODGCDQHVCGJD-UONOGXRCSA-N 1 3 304.434 2.450 20 0 DEADHO CC(C)C[C@@H]([NH3+])CN(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000414754459 404725226 /nfs/dbraw/zinc/72/52/26/404725226.db2.gz GBKFNISIVZKACM-KSZLIROESA-N 1 3 304.482 2.380 20 0 DEADHO C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357093293 404726993 /nfs/dbraw/zinc/72/69/93/404726993.db2.gz XYGFTXHYBIRSJU-BFYDXBDKSA-N 1 3 307.482 2.097 20 0 DEADHO COc1cc(CN2CCC([C@H]3CC[NH2+]C3)CC2)cc(OC)c1O ZINC000414766002 404728137 /nfs/dbraw/zinc/72/81/37/404728137.db2.gz HBFVLVCHDLFPJI-HNNXBMFYSA-N 1 3 320.433 2.231 20 0 DEADHO FC(F)(F)[C@H](CNCc1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000414972967 404779766 /nfs/dbraw/zinc/77/97/66/404779766.db2.gz JVLNEGQQPSTFCT-ZDUSSCGKSA-N 1 3 321.774 2.266 20 0 DEADHO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000415076008 404802007 /nfs/dbraw/zinc/80/20/07/404802007.db2.gz CECGGURTOXZZGD-XHSDSOJGSA-N 1 3 309.498 2.378 20 0 DEADHO C[C@H]([C@H](C)N[C@@H]1CC[NH2+][C@H](c2ccccc2)C1)N1CCOCC1 ZINC000415085643 404804125 /nfs/dbraw/zinc/80/41/25/404804125.db2.gz SWICSYUULQTBRF-ISARSNTHSA-N 1 3 317.477 2.179 20 0 DEADHO C[C@@H](C(=O)NC1CCCC1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000377396698 404837566 /nfs/dbraw/zinc/83/75/66/404837566.db2.gz DAAQUECOWDBJGN-HNNXBMFYSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000353466487 404837916 /nfs/dbraw/zinc/83/79/16/404837916.db2.gz HEWWLLWZUQQLFJ-FGTMMUONSA-N 1 3 315.461 2.328 20 0 DEADHO COc1ccccc1CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415125098 404813435 /nfs/dbraw/zinc/81/34/35/404813435.db2.gz NVMYCQQWDPVIFU-AEFFLSMTSA-N 1 3 304.434 2.414 20 0 DEADHO COc1cccc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000415135982 404816467 /nfs/dbraw/zinc/81/64/67/404816467.db2.gz WWWCJJGAHDXYJR-QZTJIDSGSA-N 1 3 304.434 2.414 20 0 DEADHO [NH3+]C1CCC(NC(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000378182213 404886550 /nfs/dbraw/zinc/88/65/50/404886550.db2.gz JJCGOXUDMXYTTI-UHFFFAOYSA-N 1 3 315.461 2.285 20 0 DEADHO C[C@H]1CN(C(=O)Nc2ccccc2CC[NH+](C)C)[C@@H](C)CN1 ZINC000415572786 404887315 /nfs/dbraw/zinc/88/73/15/404887315.db2.gz NOQRCEZDTAMCSG-KBPBESRZSA-N 1 3 304.438 2.005 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000415585446 404889541 /nfs/dbraw/zinc/88/95/41/404889541.db2.gz XMWJDXMNCLZAAP-ZFWWWQNUSA-N 1 3 304.438 2.040 20 0 DEADHO C[NH2+]CCCC(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000423851313 404891017 /nfs/dbraw/zinc/89/10/17/404891017.db2.gz RPGADQIWABHYMT-UHFFFAOYSA-N 1 3 318.465 2.155 20 0 DEADHO COC[C@]1(C)CCN(C/C=C\C[N@@H+]2CC[C@](C)(COC)C2)C1 ZINC000451200140 404899241 /nfs/dbraw/zinc/89/92/41/404899241.db2.gz GPYRROCJFNBJGJ-SPCWZHTESA-N 1 3 310.482 2.259 20 0 DEADHO COC[C@]1(C)CCN(C/C=C\C[N@H+]2CC[C@](C)(COC)C2)C1 ZINC000451200140 404899243 /nfs/dbraw/zinc/89/92/43/404899243.db2.gz GPYRROCJFNBJGJ-SPCWZHTESA-N 1 3 310.482 2.259 20 0 DEADHO COC[C@]1(C)CC[N@@H+](C/C=C\CN2CC[C@](C)(COC)C2)C1 ZINC000451200140 404899244 /nfs/dbraw/zinc/89/92/44/404899244.db2.gz GPYRROCJFNBJGJ-SPCWZHTESA-N 1 3 310.482 2.259 20 0 DEADHO COC[C@]1(C)CC[N@H+](C/C=C\CN2CC[C@](C)(COC)C2)C1 ZINC000451200140 404899245 /nfs/dbraw/zinc/89/92/45/404899245.db2.gz GPYRROCJFNBJGJ-SPCWZHTESA-N 1 3 310.482 2.259 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000416897502 404954931 /nfs/dbraw/zinc/95/49/31/404954931.db2.gz XWSAVLNBTDEFAI-DLBZAZTESA-N 1 3 318.465 2.065 20 0 DEADHO C[C@@H](NC(=O)Nc1ccc2c(c1)CNCC2)C(C)(C)C[NH+](C)C ZINC000415886632 404962874 /nfs/dbraw/zinc/96/28/74/404962874.db2.gz VJHRHGUTEQMYDP-CYBMUJFWSA-N 1 3 318.465 2.430 20 0 DEADHO O=C(c1cccc(CN2CCCC2)c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435241064 404964522 /nfs/dbraw/zinc/96/45/22/404964522.db2.gz RVNBADYIURSQEN-SFHVURJKSA-N 1 3 313.445 2.249 20 0 DEADHO CC[NH2+][C@H](C)CNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000416787287 404909872 /nfs/dbraw/zinc/90/98/72/404909872.db2.gz OBKVJYZPPHGRRL-NVXWUHKLSA-N 1 3 318.465 2.121 20 0 DEADHO C[NH2+]Cc1ccccc1NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000415913623 404969726 /nfs/dbraw/zinc/96/97/26/404969726.db2.gz PZPCZQCHUHAJNJ-INIZCTEOSA-N 1 3 316.449 2.498 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+](CC)CCCO)CC1 ZINC000353674265 404913752 /nfs/dbraw/zinc/91/37/52/404913752.db2.gz UCRUDAGHOUMWRF-UHFFFAOYSA-N 1 3 305.466 2.033 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+](CC)CCCO)CC1 ZINC000353674265 404913758 /nfs/dbraw/zinc/91/37/58/404913758.db2.gz UCRUDAGHOUMWRF-UHFFFAOYSA-N 1 3 305.466 2.033 20 0 DEADHO CN(C)[C@@H](CNC(=O)N1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000416803925 404917813 /nfs/dbraw/zinc/91/78/13/404917813.db2.gz JJGNONDXVCVAPP-WBVHZDCISA-N 1 3 318.465 2.060 20 0 DEADHO C[C@@H]1C[C@@H](CCNC(=O)C(C)(C)N)C[N@@H+]1Cc1ccccc1 ZINC000423908082 404924065 /nfs/dbraw/zinc/92/40/65/404924065.db2.gz SAXURUZMUOYFQN-GDBMZVCRSA-N 1 3 303.450 2.141 20 0 DEADHO C[C@@H]1C[C@@H](CCNC(=O)C(C)(C)N)C[N@H+]1Cc1ccccc1 ZINC000423908082 404924070 /nfs/dbraw/zinc/92/40/70/404924070.db2.gz SAXURUZMUOYFQN-GDBMZVCRSA-N 1 3 303.450 2.141 20 0 DEADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCC(C)(C)N1CCCCC1 ZINC000416830027 404927095 /nfs/dbraw/zinc/92/70/95/404927095.db2.gz NWBCVYQRNHVJLO-HNNXBMFYSA-N 1 3 312.502 2.266 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)NCC(C)(C)[NH3+])c1ccccc1 ZINC000416834456 404928067 /nfs/dbraw/zinc/92/80/67/404928067.db2.gz DLMVYMUQMGGUGI-HNNXBMFYSA-N 1 3 306.454 2.106 20 0 DEADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000416886672 404950989 /nfs/dbraw/zinc/95/09/89/404950989.db2.gz NGDUQIPWHNLEBD-KRWDZBQOSA-N 1 3 320.481 2.263 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCN[C@H](C)[C@H]2C)C1 ZINC000417051475 405021389 /nfs/dbraw/zinc/02/13/89/405021389.db2.gz ZXYLIMLHTBMNGE-YYIAUSFCSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCN[C@H](C)[C@H]2C)C1 ZINC000417051475 405021395 /nfs/dbraw/zinc/02/13/95/405021395.db2.gz ZXYLIMLHTBMNGE-YYIAUSFCSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H]1CCN(C(=O)NCc2cccc(CN(C)C)c2)[C@H](C[NH3+])C1 ZINC000417068119 405024974 /nfs/dbraw/zinc/02/49/74/405024974.db2.gz MZSGPQQCBYAEFM-PBHICJAKSA-N 1 3 318.465 2.017 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)CCCC[NH3+])CCN1Cc1ccccc1 ZINC000379660481 405028347 /nfs/dbraw/zinc/02/83/47/405028347.db2.gz CFBMIGUUJWWSCO-WBVHZDCISA-N 1 3 303.450 2.285 20 0 DEADHO CC(C)C[C@@H](CN(C)C)NC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000417085860 405030516 /nfs/dbraw/zinc/03/05/16/405030516.db2.gz DDKYOQROCMLIRF-KRWDZBQOSA-N 1 3 318.465 2.065 20 0 DEADHO CN(C)[C@H](CC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000416135335 405031681 /nfs/dbraw/zinc/03/16/81/405031681.db2.gz OQMGLVHMKLFYCI-KZNAEPCWSA-N 1 3 315.461 2.422 20 0 DEADHO CN(C)[C@H](CC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000416135335 405031685 /nfs/dbraw/zinc/03/16/85/405031685.db2.gz OQMGLVHMKLFYCI-KZNAEPCWSA-N 1 3 315.461 2.422 20 0 DEADHO CN1CC[C@H](C[NH2+]C2CCN(C3CCCCC3)CC2)CC1=O ZINC000424183980 405032841 /nfs/dbraw/zinc/03/28/41/405032841.db2.gz DDRAKDOCZIQQSA-HNNXBMFYSA-N 1 3 307.482 2.242 20 0 DEADHO C[NH2+]CCCN(C)C(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000424020449 404974151 /nfs/dbraw/zinc/97/41/51/404974151.db2.gz OOTNTBWAJGROOL-UHFFFAOYSA-N 1 3 317.477 2.357 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000424040918 404981173 /nfs/dbraw/zinc/98/11/73/404981173.db2.gz MMAWTVJYLGDKJQ-JKSUJKDBSA-N 1 3 307.482 2.097 20 0 DEADHO CN(CCN1CCCC1)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415950084 404981206 /nfs/dbraw/zinc/98/12/06/404981206.db2.gz CZBQAPQPFDRLAE-UHFFFAOYSA-N 1 3 320.412 2.031 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C)CC[NH3+])c1ccsc1 ZINC000416998699 404992248 /nfs/dbraw/zinc/99/22/48/404992248.db2.gz BIRSTQYGXYLMBB-GXTWGEPZSA-N 1 3 312.483 2.168 20 0 DEADHO C[C@H](CNC(=O)NCC1([NH3+])CCCCC1)N1CCC[C@@H](C)C1 ZINC000417009334 404999275 /nfs/dbraw/zinc/99/92/75/404999275.db2.gz KGOZIDKQXQFGDU-HUUCEWRRSA-N 1 3 310.486 2.068 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H](C[NH3+])C1)c1ccsc1 ZINC000417010976 405000433 /nfs/dbraw/zinc/00/04/33/405000433.db2.gz QWAPRHAOOMKFFC-HIFRSBDPSA-N 1 3 324.494 2.121 20 0 DEADHO CN(C)C1(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000416305140 405095883 /nfs/dbraw/zinc/09/58/83/405095883.db2.gz WJRKARIMRCKLKL-KRWDZBQOSA-N 1 3 315.461 2.109 20 0 DEADHO CN(C)C1(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000416305140 405095886 /nfs/dbraw/zinc/09/58/86/405095886.db2.gz WJRKARIMRCKLKL-KRWDZBQOSA-N 1 3 315.461 2.109 20 0 DEADHO CCC[C@](C)([NH3+])C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000389886322 405041881 /nfs/dbraw/zinc/04/18/81/405041881.db2.gz RUBZENHFGHLFPW-LESCRADOSA-N 1 3 303.450 2.141 20 0 DEADHO C[C@H](C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)N1CCCCCC1 ZINC000424230016 405044765 /nfs/dbraw/zinc/04/47/65/405044765.db2.gz DTXZTXPGTZUFTP-HZPDHXFCSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCNC(=O)CCCc1ccccc1 ZINC000424315406 405067586 /nfs/dbraw/zinc/06/75/86/405067586.db2.gz CCQDZWCGXCZBBC-FUHWJXTLSA-N 1 3 317.477 2.055 20 0 DEADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCNC(=O)CCCc1ccccc1 ZINC000424315406 405067589 /nfs/dbraw/zinc/06/75/89/405067589.db2.gz CCQDZWCGXCZBBC-FUHWJXTLSA-N 1 3 317.477 2.055 20 0 DEADHO C[C@H](CNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)N(C)C1CC1 ZINC000417549186 405092355 /nfs/dbraw/zinc/09/23/55/405092355.db2.gz JGUTZSYOFMCBFP-INMHGKMJSA-N 1 3 322.497 2.033 20 0 DEADHO CCCN(C(=O)NC[C@H]1CCCCN1CC)C1CC[NH2+]CC1 ZINC000417582662 405092590 /nfs/dbraw/zinc/09/25/90/405092590.db2.gz IZZVZXCSZRHALP-MRXNPFEDSA-N 1 3 310.486 2.034 20 0 DEADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H](C)C[NH3+] ZINC000418023296 405109260 /nfs/dbraw/zinc/10/92/60/405109260.db2.gz BNTJTHWHTRJMSI-DOTOQJQBSA-N 1 3 320.481 2.037 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)NCC[C@@H]1CC[NH2+]C1)c1ccco1 ZINC000418162311 405114884 /nfs/dbraw/zinc/11/48/84/405114884.db2.gz FWIAAHDOTZFKPL-KKUMJFAQSA-N 1 3 322.453 2.008 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)NC(C)(C)C[NH+](C)C)cc1 ZINC000418357480 405124212 /nfs/dbraw/zinc/12/42/12/405124212.db2.gz QRADOCVUCXECNF-MRXNPFEDSA-N 1 3 320.481 2.449 20 0 DEADHO C[NH2+]C[C@H]1CCCN1C(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000418356433 405124301 /nfs/dbraw/zinc/12/43/01/405124301.db2.gz PYLRAUWDSXNRQK-SJORKVTESA-N 1 3 318.465 2.203 20 0 DEADHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418599231 405134727 /nfs/dbraw/zinc/13/47/27/405134727.db2.gz ZGWLTFVNRBAXMR-SJORKVTESA-N 1 3 318.465 2.030 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418707676 405175569 /nfs/dbraw/zinc/17/55/69/405175569.db2.gz BWWNZJNFIYJDLB-HOTGVXAUSA-N 1 3 310.486 2.021 20 0 DEADHO CC(C)(C[C@@H]1CCCN([C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1)C(N)=O ZINC000453286816 405290754 /nfs/dbraw/zinc/29/07/54/405290754.db2.gz RHNZJROUFFEOSP-HRCADAONSA-N 1 3 307.482 2.227 20 0 DEADHO CC(C)(C[C@@H]1CCCN([C@@H]2CC[N@H+]3CCC[C@H]3C2)C1)C(N)=O ZINC000453286816 405290756 /nfs/dbraw/zinc/29/07/56/405290756.db2.gz RHNZJROUFFEOSP-HRCADAONSA-N 1 3 307.482 2.227 20 0 DEADHO CC(C)(C[C@@H]1CCC[N@@H+]([C@@H]2CCN3CCC[C@H]3C2)C1)C(N)=O ZINC000453286816 405290759 /nfs/dbraw/zinc/29/07/59/405290759.db2.gz RHNZJROUFFEOSP-HRCADAONSA-N 1 3 307.482 2.227 20 0 DEADHO CC(C)(C[C@@H]1CCC[N@H+]([C@@H]2CCN3CCC[C@H]3C2)C1)C(N)=O ZINC000453286816 405290761 /nfs/dbraw/zinc/29/07/61/405290761.db2.gz RHNZJROUFFEOSP-HRCADAONSA-N 1 3 307.482 2.227 20 0 DEADHO C[N@H+](CCCCN[C@@H](C(=O)NC1CC1)c1ccccc1)C1CC1 ZINC000419298276 405236698 /nfs/dbraw/zinc/23/66/98/405236698.db2.gz ICNBBLWFCXVZMG-GOSISDBHSA-N 1 3 315.461 2.470 20 0 DEADHO C[N@@H+](CCCCN[C@@H](C(=O)NC1CC1)c1ccccc1)C1CC1 ZINC000419298276 405236701 /nfs/dbraw/zinc/23/67/01/405236701.db2.gz ICNBBLWFCXVZMG-GOSISDBHSA-N 1 3 315.461 2.470 20 0 DEADHO CN1CCCN(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000438341129 405243923 /nfs/dbraw/zinc/24/39/23/405243923.db2.gz AGQMNGZITUNBRV-QGZVFWFLSA-N 1 3 322.497 2.131 20 0 DEADHO CN1CCCN(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000438341129 405243925 /nfs/dbraw/zinc/24/39/25/405243925.db2.gz AGQMNGZITUNBRV-QGZVFWFLSA-N 1 3 322.497 2.131 20 0 DEADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)COCc2ccccc2)CC1 ZINC000568500966 292344907 /nfs/dbraw/zinc/34/49/07/292344907.db2.gz LVSCXZPOQAAIAB-GOSISDBHSA-N 1 3 320.477 2.417 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000440286820 405308462 /nfs/dbraw/zinc/30/84/62/405308462.db2.gz YTLJFLNBDUPORF-DJIMGWMZSA-N 1 3 307.482 2.382 20 0 DEADHO C[N@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)C1Cc2ccccc2C1 ZINC000420295389 405309540 /nfs/dbraw/zinc/30/95/40/405309540.db2.gz AFQWCJAYTGQOPW-PMACEKPBSA-N 1 3 310.441 2.017 20 0 DEADHO C[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)C1Cc2ccccc2C1 ZINC000420295389 405309542 /nfs/dbraw/zinc/30/95/42/405309542.db2.gz AFQWCJAYTGQOPW-PMACEKPBSA-N 1 3 310.441 2.017 20 0 DEADHO CN(C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1Cc2ccccc2C1 ZINC000420295389 405309543 /nfs/dbraw/zinc/30/95/43/405309543.db2.gz AFQWCJAYTGQOPW-PMACEKPBSA-N 1 3 310.441 2.017 20 0 DEADHO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)C1(C)C ZINC000420312336 405315531 /nfs/dbraw/zinc/31/55/31/405315531.db2.gz WTALKGXARJTTEF-WNRNVDISSA-N 1 3 320.477 2.053 20 0 DEADHO CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)C1(C)C ZINC000420312336 405315532 /nfs/dbraw/zinc/31/55/32/405315532.db2.gz WTALKGXARJTTEF-WNRNVDISSA-N 1 3 320.477 2.053 20 0 DEADHO CCO[C@@H]1C[C@@H](N(C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1(C)C ZINC000420312336 405315533 /nfs/dbraw/zinc/31/55/33/405315533.db2.gz WTALKGXARJTTEF-WNRNVDISSA-N 1 3 320.477 2.053 20 0 DEADHO CCOc1ccccc1NC(=O)CCN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000420314412 405316246 /nfs/dbraw/zinc/31/62/46/405316246.db2.gz VTTDORGZZNCDIM-UONOGXRCSA-N 1 3 305.422 2.083 20 0 DEADHO C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420333332 405323090 /nfs/dbraw/zinc/32/30/90/405323090.db2.gz SQGYKXGJKAQPGH-TVFCKZIOSA-N 1 3 321.509 2.345 20 0 DEADHO Cc1ccc(F)cc1NC(=O)[C@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420340496 405325789 /nfs/dbraw/zinc/32/57/89/405325789.db2.gz PNXPYXGWJSGREY-SOUVJXGZSA-N 1 3 319.424 2.393 20 0 DEADHO O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NC1CCCCCC1 ZINC000420344964 405327172 /nfs/dbraw/zinc/32/71/72/405327172.db2.gz VHJUAHSVXMWJHX-HZPDHXFCSA-N 1 3 307.482 2.147 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NCC2([NH+](C)C)CCCCC2)CN1C1CC1 ZINC000440792660 405327317 /nfs/dbraw/zinc/32/73/17/405327317.db2.gz TYGGBHLVOKVLGD-HUUCEWRRSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)[N@@H+]1CCCC[C@H]1C ZINC000440903782 405330261 /nfs/dbraw/zinc/33/02/61/405330261.db2.gz ATTLSHCELJSQME-QKPAOTATSA-N 1 3 322.497 2.174 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)[N@H+]1CCCC[C@H]1C ZINC000440903782 405330265 /nfs/dbraw/zinc/33/02/65/405330265.db2.gz ATTLSHCELJSQME-QKPAOTATSA-N 1 3 322.497 2.174 20 0 DEADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(CCOc2ccccc2F)CC1 ZINC000420373336 405336079 /nfs/dbraw/zinc/33/60/79/405336079.db2.gz GFIOPZCZELOWCG-AEFFLSMTSA-N 1 3 322.424 2.423 20 0 DEADHO CC(C)O[C@@H]1C[C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C1(C)C ZINC000442872704 405337112 /nfs/dbraw/zinc/33/71/12/405337112.db2.gz ITGBEUCDVNFXGF-JKSUJKDBSA-N 1 3 311.514 2.194 20 0 DEADHO NCc1cn([C@@H]2CCC[N@H+](C[C@@H]3CCCC(F)(F)C3)C2)nn1 ZINC000420374899 405337183 /nfs/dbraw/zinc/33/71/83/405337183.db2.gz HXHSUGNEPHDVQS-TZMCWYRMSA-N 1 3 313.396 2.199 20 0 DEADHO NCc1cn([C@@H]2CCC[N@@H+](C[C@@H]3CCCC(F)(F)C3)C2)nn1 ZINC000420374899 405337186 /nfs/dbraw/zinc/33/71/86/405337186.db2.gz HXHSUGNEPHDVQS-TZMCWYRMSA-N 1 3 313.396 2.199 20 0 DEADHO O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000446374582 405380840 /nfs/dbraw/zinc/38/08/40/405380840.db2.gz LYWDPEHIIKVMGT-HDICACEKSA-N 1 3 322.412 2.214 20 0 DEADHO CCN(Cc1ccc(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1)C1CC1 ZINC000427575512 405412937 /nfs/dbraw/zinc/41/29/37/405412937.db2.gz VCOXYQCKSSLSEG-KDOFPFPSSA-N 1 3 315.461 2.399 20 0 DEADHO C[C@@H]1CCC[N@H+](CCc2nc(-c3ccccc3)no2)[C@@H]1CN ZINC000430563821 405458387 /nfs/dbraw/zinc/45/83/87/405458387.db2.gz KFBDTWYVQAYIIB-UKRRQHHQSA-N 1 3 300.406 2.338 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCc2nc(-c3ccccc3)no2)[C@@H]1CN ZINC000430563821 405458389 /nfs/dbraw/zinc/45/83/89/405458389.db2.gz KFBDTWYVQAYIIB-UKRRQHHQSA-N 1 3 300.406 2.338 20 0 DEADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCCOc2ccc3c(c2)OCO3)C1 ZINC000430584745 405461827 /nfs/dbraw/zinc/46/18/27/405461827.db2.gz PZGKMTUPRSAKIV-ZIAGYGMSSA-N 1 3 306.406 2.243 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)CS1 ZINC000638462388 405485896 /nfs/dbraw/zinc/48/58/96/405485896.db2.gz MGOAPNFVLXFFMV-CVEARBPZSA-N 1 3 320.506 2.077 20 0 DEADHO C[C@H](C(=O)NCC1CCCCC1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431024499 405562481 /nfs/dbraw/zinc/56/24/81/405562481.db2.gz ADMVLDRMBMPNJF-OAHLLOKOSA-N 1 3 307.482 2.147 20 0 DEADHO Cc1cc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(C)s1 ZINC000556952419 405562953 /nfs/dbraw/zinc/56/29/53/405562953.db2.gz WMKBUFJOJNUUIE-CYBMUJFWSA-N 1 3 321.412 2.291 20 0 DEADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCCN1CCCC1=O ZINC000556764766 405525704 /nfs/dbraw/zinc/52/57/04/405525704.db2.gz DLXPCMWJHLSPKC-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO C[N@@H+]1CCC[C@H](CCNC(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000556779607 405530435 /nfs/dbraw/zinc/53/04/35/405530435.db2.gz DIRKHMUINWAWNW-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO C[N@H+]1CCC[C@H](CCNC(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000556779607 405530440 /nfs/dbraw/zinc/53/04/40/405530440.db2.gz DIRKHMUINWAWNW-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO CCO[C@@H]1C[C@H](NC[C@H]2CCC[N@@H+](C(C)C)C2)[C@]12CCCO2 ZINC000638566164 405549591 /nfs/dbraw/zinc/54/95/91/405549591.db2.gz CFNNECUCAOGIAF-XMTFNYHQSA-N 1 3 310.482 2.423 20 0 DEADHO CCO[C@@H]1C[C@H](NC[C@H]2CCC[N@H+](C(C)C)C2)[C@]12CCCO2 ZINC000638566164 405549599 /nfs/dbraw/zinc/54/95/99/405549599.db2.gz CFNNECUCAOGIAF-XMTFNYHQSA-N 1 3 310.482 2.423 20 0 DEADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)[C@]12CCCO2 ZINC000638566164 405549608 /nfs/dbraw/zinc/54/96/08/405549608.db2.gz CFNNECUCAOGIAF-XMTFNYHQSA-N 1 3 310.482 2.423 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000458817645 405607683 /nfs/dbraw/zinc/60/76/83/405607683.db2.gz TVWXSFQLJZTBDZ-SJLPKXTDSA-N 1 3 324.513 2.234 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000458817645 405607691 /nfs/dbraw/zinc/60/76/91/405607691.db2.gz TVWXSFQLJZTBDZ-SJLPKXTDSA-N 1 3 324.513 2.234 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000458817649 405608367 /nfs/dbraw/zinc/60/83/67/405608367.db2.gz TVWXSFQLJZTBDZ-WMZOPIPTSA-N 1 3 324.513 2.234 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000458817649 405608371 /nfs/dbraw/zinc/60/83/71/405608371.db2.gz TVWXSFQLJZTBDZ-WMZOPIPTSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C2([NH3+])CCCC2)C1 ZINC000431061841 405570618 /nfs/dbraw/zinc/57/06/18/405570618.db2.gz MKCDDBXCAWCVPF-HOCLYGCPSA-N 1 3 301.434 2.210 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H]3C(C)C)CC2)CC1 ZINC000580092358 405586382 /nfs/dbraw/zinc/58/63/82/405586382.db2.gz DXTVYEWZILGLOI-GOSISDBHSA-N 1 3 321.509 2.440 20 0 DEADHO CCN1C[C@H]([NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1=O ZINC000449516458 405593454 /nfs/dbraw/zinc/59/34/54/405593454.db2.gz GDCBVOQEWIZYPE-BPQIPLTHSA-N 1 3 315.461 2.107 20 0 DEADHO COC1([C@H](C)NC[C@H](O)C[NH+]2CCC(C)CC2)CCCCC1 ZINC000421828194 405652190 /nfs/dbraw/zinc/65/21/90/405652190.db2.gz BLBDOKBDYPITMB-IRXDYDNUSA-N 1 3 312.498 2.407 20 0 DEADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCN2CCC(O)CC2)CC1 ZINC000449643970 405654949 /nfs/dbraw/zinc/65/49/49/405654949.db2.gz CTIJKTTUTGJKNH-LPHOPBHVSA-N 1 3 323.525 2.076 20 0 DEADHO O=C1NCCN(CC[C@H]2CCC[NH2+]C2)[C@H]1CC1CCCCC1 ZINC000422628327 405674347 /nfs/dbraw/zinc/67/43/47/405674347.db2.gz AFZOHVNZESIDNQ-SJORKVTESA-N 1 3 307.482 2.147 20 0 DEADHO C[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1F)CN1CCCCC1 ZINC000582176428 405685857 /nfs/dbraw/zinc/68/58/57/405685857.db2.gz SRRIGVRHWDWZTP-JKSUJKDBSA-N 1 3 324.440 2.277 20 0 DEADHO c1ccc2c(c1)OCC[C@@H]2CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422885225 405689994 /nfs/dbraw/zinc/68/99/94/405689994.db2.gz GLOVVMZWRJFCOE-VDHUWJSZSA-N 1 3 316.445 2.299 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CCCCC1 ZINC000449702541 405701687 /nfs/dbraw/zinc/70/16/87/405701687.db2.gz SGKFAPDBRTUUJA-KZNAEPCWSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)N1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000457089802 405692100 /nfs/dbraw/zinc/69/21/00/405692100.db2.gz LLGZBZUAFMOVPJ-IRXDYDNUSA-N 1 3 307.482 2.335 20 0 DEADHO CC(C)N1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000457089802 405692108 /nfs/dbraw/zinc/69/21/08/405692108.db2.gz LLGZBZUAFMOVPJ-IRXDYDNUSA-N 1 3 307.482 2.335 20 0 DEADHO CCC[C@](C)(N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000638836160 405703888 /nfs/dbraw/zinc/70/38/88/405703888.db2.gz QUKLKTYNWDGJLJ-SUMDDJOVSA-N 1 3 317.477 2.388 20 0 DEADHO CCC[C@](C)(N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000638836160 405703894 /nfs/dbraw/zinc/70/38/94/405703894.db2.gz QUKLKTYNWDGJLJ-SUMDDJOVSA-N 1 3 317.477 2.388 20 0 DEADHO COc1cc(OC)c(C[C@H](C)N[C@@H](C)C[C@@H](C)[NH3+])c(OC)c1 ZINC000423163966 405708591 /nfs/dbraw/zinc/70/85/91/405708591.db2.gz WFSFSFVEYFCJMP-AGIUHOORSA-N 1 3 310.438 2.359 20 0 DEADHO COc1cc(OC)c(C[C@H](C)[NH2+][C@@H](C)C[C@@H](C)N)c(OC)c1 ZINC000423163966 405708598 /nfs/dbraw/zinc/70/85/98/405708598.db2.gz WFSFSFVEYFCJMP-AGIUHOORSA-N 1 3 310.438 2.359 20 0 DEADHO Clc1cc2c(c(Cl)c1)[C@@H](NCCN1CC[NH2+]CC1)CC2 ZINC000423207109 405723128 /nfs/dbraw/zinc/72/31/28/405723128.db2.gz QZNMJJWOTPLLDI-AWEZNQCLSA-N 1 3 314.260 2.476 20 0 DEADHO C[C@H](NCCN1CC[NH2+]CC1)c1ccccc1OC(F)(F)F ZINC000423208618 405723786 /nfs/dbraw/zinc/72/37/86/405723786.db2.gz TYHVEWYFCBDEQT-LBPRGKRZSA-N 1 3 317.355 2.141 20 0 DEADHO C[NH2+]CCc1ccccc1C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000423322477 405760624 /nfs/dbraw/zinc/76/06/24/405760624.db2.gz IPIRSVDPGXOMKI-JKSUJKDBSA-N 1 3 317.477 2.441 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423213955 405724373 /nfs/dbraw/zinc/72/43/73/405724373.db2.gz KTOAPDGGQQFERD-SOUVJXGZSA-N 1 3 319.449 2.390 20 0 DEADHO Fc1ccc([C@H](NCCN2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423209574 405725177 /nfs/dbraw/zinc/72/51/77/405725177.db2.gz VDBWXLHMCBSCIY-LJQANCHMSA-N 1 3 313.420 2.410 20 0 DEADHO O=C(CC[C@@H]1CCC[NH2+]1)N1CCN(CC2CCCCC2)CC1 ZINC000494655890 405738152 /nfs/dbraw/zinc/73/81/52/405738152.db2.gz MEPQTXZZWQEDJZ-KRWDZBQOSA-N 1 3 307.482 2.243 20 0 DEADHO Cc1ccc(S(=O)(=O)C[C@H](C)NCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000423256805 405739119 /nfs/dbraw/zinc/73/91/19/405739119.db2.gz GBGVEFWVXPAWHW-HOTGVXAUSA-N 1 3 324.490 2.137 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000494669318 405742678 /nfs/dbraw/zinc/74/26/78/405742678.db2.gz UIHSHEYEELWTOP-NXHRZFHOSA-N 1 3 315.461 2.470 20 0 DEADHO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H](N)C(C)C)cc1 ZINC000423266636 405742845 /nfs/dbraw/zinc/74/28/45/405742845.db2.gz DQIIXZUCGXVLNX-DOMZBBRYSA-N 1 3 313.467 2.082 20 0 DEADHO CCC(N)(CC)C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000423282904 405747553 /nfs/dbraw/zinc/74/75/53/405747553.db2.gz DJBBQQIYGQDWCO-DOTOQJQBSA-N 1 3 304.482 2.399 20 0 DEADHO CCC([NH3+])(CC)CN[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000423282904 405747559 /nfs/dbraw/zinc/74/75/59/405747559.db2.gz DJBBQQIYGQDWCO-DOTOQJQBSA-N 1 3 304.482 2.399 20 0 DEADHO [NH3+][C@@H](C(=O)NC[C@H](c1cccs1)N1CCCC1)C1CCC1 ZINC000423303775 405753710 /nfs/dbraw/zinc/75/37/10/405753710.db2.gz JMNDRKQKVXBWEI-UKRRQHHQSA-N 1 3 307.463 2.129 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)C1 ZINC000423369681 405779649 /nfs/dbraw/zinc/77/96/49/405779649.db2.gz SXTJIPSOXZAEOE-FZCLSBEQSA-N 1 3 315.461 2.326 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000423398268 405790334 /nfs/dbraw/zinc/79/03/34/405790334.db2.gz UGVFJDOSWNSQET-IHRRRGAJSA-N 1 3 305.422 2.272 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000423398268 405790340 /nfs/dbraw/zinc/79/03/40/405790340.db2.gz UGVFJDOSWNSQET-IHRRRGAJSA-N 1 3 305.422 2.272 20 0 DEADHO C[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccsc1 ZINC000423397963 405790961 /nfs/dbraw/zinc/79/09/61/405790961.db2.gz VGNNHLCKSUSYJN-CMPLNLGQSA-N 1 3 307.385 2.235 20 0 DEADHO N[C@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CCC1 ZINC000423403036 405792268 /nfs/dbraw/zinc/79/22/68/405792268.db2.gz XYQHGCIQPZFYSP-WBVHZDCISA-N 1 3 307.482 2.228 20 0 DEADHO C[C@H]1CCN[C@@H](C(=O)Nc2cccc(OCCC[NH+](C)C)c2)C1 ZINC000423408795 405793227 /nfs/dbraw/zinc/79/32/27/405793227.db2.gz PBBUAPUYBURFCD-WMLDXEAASA-N 1 3 319.449 2.344 20 0 DEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H]1NCCc2ccccc21 ZINC000423414176 405798342 /nfs/dbraw/zinc/79/83/42/405798342.db2.gz BTXGWIQZXMKDJD-RYGJVYDSSA-N 1 3 309.457 2.422 20 0 DEADHO C[C@@H]1CCN(C(=O)CC2(C[NH3+])CC2)CCN1Cc1ccccc1 ZINC000423422153 405802239 /nfs/dbraw/zinc/80/22/39/405802239.db2.gz CZIRENSLBVBTLR-MRXNPFEDSA-N 1 3 315.461 2.238 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CN1C1CC1 ZINC000423436307 405804398 /nfs/dbraw/zinc/80/43/98/405804398.db2.gz SKUYYQASKIYRSV-FRFSOERESA-N 1 3 315.461 2.454 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H]2CSCCN2Cc2ccccc2)C1 ZINC000568781923 292367482 /nfs/dbraw/zinc/36/74/82/292367482.db2.gz AOWIIVWAZPTXRI-FGTMMUONSA-N 1 3 319.518 2.464 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)CC[NH2+]C(C)C)C2)cc1 ZINC000639004712 405816376 /nfs/dbraw/zinc/81/63/76/405816376.db2.gz JFXSEVWYACZVRS-QGZVFWFLSA-N 1 3 303.450 2.074 20 0 DEADHO C[C@H](N[C@@H]1CNCCC1(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423477635 405820010 /nfs/dbraw/zinc/82/00/10/405820010.db2.gz KGBXJAKTHJXGML-BHYGNILZSA-N 1 3 323.431 2.484 20 0 DEADHO C[C@H](N[C@@H]1CNCCC1(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423477635 405820017 /nfs/dbraw/zinc/82/00/17/405820017.db2.gz KGBXJAKTHJXGML-BHYGNILZSA-N 1 3 323.431 2.484 20 0 DEADHO C[C@H](C(=O)N1C[C@H](C[NH3+])Cc2ccccc21)[C@H](N)c1ccccc1 ZINC000639021190 405824676 /nfs/dbraw/zinc/82/46/76/405824676.db2.gz SKRKZEZXQVTAMT-DOXZYTNZSA-N 1 3 323.440 2.487 20 0 DEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@@]1(C)CCCNC1 ZINC000423335704 405765400 /nfs/dbraw/zinc/76/54/00/405765400.db2.gz RWJVPCXBGVWQLO-QRQLOZEOSA-N 1 3 316.493 2.271 20 0 DEADHO C[NH2+]CCc1ccccc1C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000423339537 405767957 /nfs/dbraw/zinc/76/79/57/405767957.db2.gz VHLRTVAOMOURGH-HZPDHXFCSA-N 1 3 317.477 2.299 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000423351021 405772479 /nfs/dbraw/zinc/77/24/79/405772479.db2.gz YJTCYPXDGBPMKG-QGZVFWFLSA-N 1 3 307.482 2.275 20 0 DEADHO C[C@H]1CN(Cc2ccccn2)CC[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423354973 405774129 /nfs/dbraw/zinc/77/41/29/405774129.db2.gz DKMWHNYGIRCMHT-LZLYRXPVSA-N 1 3 302.466 2.024 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H](C[NH3+])C(C)C)N2CCCC2)cc1 ZINC000433151712 405880711 /nfs/dbraw/zinc/88/07/11/405880711.db2.gz ZVDGEBOZRCFTAQ-ROUUACIJSA-N 1 3 317.477 2.479 20 0 DEADHO N[C@@H](CC1CCCCC1)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000423506749 405832180 /nfs/dbraw/zinc/83/21/80/405832180.db2.gz MGYOMOUCJZRIJV-ZBFHGGJFSA-N 1 3 316.449 2.134 20 0 DEADHO C[C@@H]1C[C@@H](NC[C@@H](Cc2ccccc2Cl)C(N)=O)CC[N@@H+]1C ZINC000639042120 405837943 /nfs/dbraw/zinc/83/79/43/405837943.db2.gz RYXZNQXNNPGRRG-YUELXQCFSA-N 1 3 323.868 2.056 20 0 DEADHO C[C@@H]1C[C@@H](NC[C@@H](Cc2ccccc2Cl)C(N)=O)CC[N@H+]1C ZINC000639042120 405837947 /nfs/dbraw/zinc/83/79/47/405837947.db2.gz RYXZNQXNNPGRRG-YUELXQCFSA-N 1 3 323.868 2.056 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000633801260 405846368 /nfs/dbraw/zinc/84/63/68/405846368.db2.gz WQNPKKSEYGJJBO-FUHWJXTLSA-N 1 3 317.477 2.211 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000633801260 405846372 /nfs/dbraw/zinc/84/63/72/405846372.db2.gz WQNPKKSEYGJJBO-FUHWJXTLSA-N 1 3 317.477 2.211 20 0 DEADHO [NH3+]C[C@H]1CCN(C(=O)c2ccc3c(c2)CNC3)c2ccccc21 ZINC000639067641 405859047 /nfs/dbraw/zinc/85/90/47/405859047.db2.gz KCYGJDORWSJNTO-CQSZACIVSA-N 1 3 307.397 2.383 20 0 DEADHO CN(C(=O)C[C@H](c1ccccc1)[NH+](C)C)C1CCN(C)CC1 ZINC000433100340 405866091 /nfs/dbraw/zinc/86/60/91/405866091.db2.gz DFLXNEYEBREDMQ-QGZVFWFLSA-N 1 3 303.450 2.232 20 0 DEADHO c1n[nH]cc1CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000459498776 405929772 /nfs/dbraw/zinc/92/97/72/405929772.db2.gz LLNHNNCISJHNDD-OALUTQOASA-N 1 3 310.445 2.406 20 0 DEADHO c1n[nH]cc1CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000459498776 405929775 /nfs/dbraw/zinc/92/97/75/405929775.db2.gz LLNHNNCISJHNDD-OALUTQOASA-N 1 3 310.445 2.406 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000423736656 405936837 /nfs/dbraw/zinc/93/68/37/405936837.db2.gz DCMVQZPCDBKSBK-SJORKVTESA-N 1 3 303.450 2.224 20 0 DEADHO CC[C@H](C)[C@H](CN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)OC ZINC000639173394 405945793 /nfs/dbraw/zinc/94/57/93/405945793.db2.gz XZWLUEGVTHXNOZ-SZMVWBNQSA-N 1 3 311.514 2.148 20 0 DEADHO CC[C@H](C)[C@H](CN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)OC ZINC000639173394 405945796 /nfs/dbraw/zinc/94/57/96/405945796.db2.gz XZWLUEGVTHXNOZ-SZMVWBNQSA-N 1 3 311.514 2.148 20 0 DEADHO c1nn2ccccc2c1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459544158 405949144 /nfs/dbraw/zinc/94/91/44/405949144.db2.gz JPGFSFBPNWEVTC-UHFFFAOYSA-N 1 3 307.401 2.488 20 0 DEADHO C[C@@](C[NH3+])(NCCC(=O)NCc1ccccc1Cl)C1CC1 ZINC000433501171 405954124 /nfs/dbraw/zinc/95/41/24/405954124.db2.gz CTTRDOYWQUGALQ-INIZCTEOSA-N 1 3 309.841 2.063 20 0 DEADHO C[C@H](NC(=O)C1C[NH+](C2CCCCC2)C1)C1=CCN(C)CC1 ZINC000457708188 405962839 /nfs/dbraw/zinc/96/28/39/405962839.db2.gz YPRMOYZDWTUWGZ-AWEZNQCLSA-N 1 3 305.466 2.018 20 0 DEADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000423781546 405965038 /nfs/dbraw/zinc/96/50/38/405965038.db2.gz KZIWFEWJAYHEQK-JNTJZFBISA-N 1 3 319.493 2.083 20 0 DEADHO [NH3+]C[C@H](NCCc1nc2ccccc2c(=O)[nH]1)C1CCCCC1 ZINC000561283665 405916968 /nfs/dbraw/zinc/91/69/68/405916968.db2.gz UUZMUCTXPZVLTD-INIZCTEOSA-N 1 3 314.433 2.375 20 0 DEADHO C[C@@H](CC(=O)N1CCN(C2CCCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000423707737 405921606 /nfs/dbraw/zinc/92/16/06/405921606.db2.gz FDMODDGEBBKGLI-DLBZAZTESA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)(O)CN1CCC([NH2+][C@@H]2COCc3ccccc32)CC1 ZINC000639274010 406014816 /nfs/dbraw/zinc/01/48/16/406014816.db2.gz YVAWRYYZCRHANB-QGZVFWFLSA-N 1 3 304.434 2.083 20 0 DEADHO OC[C@H]([C@H]([NH2+]C1CCN(c2ccncc2)CC1)C1CC1)C1CC1 ZINC000459588529 405971329 /nfs/dbraw/zinc/97/13/29/405971329.db2.gz XSQSPZPQGPTYOO-RBUKOAKNSA-N 1 3 315.461 2.437 20 0 DEADHO Cc1nc(C)c([C@@H](C)[NH2+]CCCCN2CCN(C)CC2)s1 ZINC000531686499 405994710 /nfs/dbraw/zinc/99/47/10/405994710.db2.gz KZDDOGRCWBHSER-CYBMUJFWSA-N 1 3 310.511 2.438 20 0 DEADHO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000639337751 406054909 /nfs/dbraw/zinc/05/49/09/406054909.db2.gz OXUSQCPTSWOORZ-OIISXLGYSA-N 1 3 307.482 2.145 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@H](NC[C@@H](O)COCc2cccs2)C1 ZINC000515414701 406067481 /nfs/dbraw/zinc/06/74/81/406067481.db2.gz MJCRRSYDPDDYIF-RRFJBIMHSA-N 1 3 312.479 2.088 20 0 DEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COCc2cccs2)C1 ZINC000515414701 406067484 /nfs/dbraw/zinc/06/74/84/406067484.db2.gz MJCRRSYDPDDYIF-RRFJBIMHSA-N 1 3 312.479 2.088 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C1)[NH+](C)C ZINC000634276089 406078046 /nfs/dbraw/zinc/07/80/46/406078046.db2.gz WKWYUXWUYLTOCD-IAGOWNOFSA-N 1 3 303.450 2.026 20 0 DEADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C/C=C/c2ccncc2)CC1 ZINC000487264074 406220575 /nfs/dbraw/zinc/22/05/75/406220575.db2.gz GBLPFZHALDXYEC-CZHQAMEJSA-N 1 3 315.461 2.452 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1CC=CC1 ZINC000637366162 406278475 /nfs/dbraw/zinc/27/84/75/406278475.db2.gz JEAHFGFFKNMXOZ-QGZVFWFLSA-N 1 3 322.497 2.010 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1CC=CC1 ZINC000637366162 406278482 /nfs/dbraw/zinc/27/84/82/406278482.db2.gz JEAHFGFFKNMXOZ-QGZVFWFLSA-N 1 3 322.497 2.010 20 0 DEADHO C[C@H](C[NH2+]C[C@H](O)COc1ccc(F)cc1)CN1CCCCC1 ZINC000569712494 406294084 /nfs/dbraw/zinc/29/40/84/406294084.db2.gz HQCZNAZICCHLBV-WBVHZDCISA-N 1 3 324.440 2.277 20 0 DEADHO CN(C)C[C@@H]1COC2(CCCC2)CN1CC[C@@H]1CCC[N@@H+]1C ZINC000639877182 406294893 /nfs/dbraw/zinc/29/48/93/406294893.db2.gz JDGNOYQLUWEKGO-DLBZAZTESA-N 1 3 309.498 2.046 20 0 DEADHO CN(C)C[C@@H]1COC2(CCCC2)CN1CC[C@@H]1CCC[N@H+]1C ZINC000639877182 406294900 /nfs/dbraw/zinc/29/49/00/406294900.db2.gz JDGNOYQLUWEKGO-DLBZAZTESA-N 1 3 309.498 2.046 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000637518654 406337092 /nfs/dbraw/zinc/33/70/92/406337092.db2.gz PTHDIYKDWCHCGM-SJORKVTESA-N 1 3 318.465 2.251 20 0 DEADHO C[C@H]1C[C@@H]1CN1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000488290017 406308635 /nfs/dbraw/zinc/30/86/35/406308635.db2.gz GVTDFPHSABTSDU-DLBZAZTESA-N 1 3 317.477 2.405 20 0 DEADHO C[C@@H](CC[NH2+]C[C@@H](O)COCc1ccccc1)N1CCCCC1 ZINC000569838975 406311293 /nfs/dbraw/zinc/31/12/93/406311293.db2.gz YFYVWJAHWIICBL-PKOBYXMFSA-N 1 3 320.477 2.418 20 0 DEADHO COc1ccc(C[C@@H](C)C[NH+]2CCC(NCCO)CC2)cc1F ZINC000635001046 406393721 /nfs/dbraw/zinc/39/37/21/406393721.db2.gz DAODRXCIEFGLNH-CQSZACIVSA-N 1 3 324.440 2.059 20 0 DEADHO C[N@@H+]1CC[C@@H](CC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000635071548 406416276 /nfs/dbraw/zinc/41/62/76/406416276.db2.gz PRVNBQWEWHVQGT-KRWDZBQOSA-N 1 3 315.461 2.109 20 0 DEADHO C[N@H+]1CC[C@@H](CC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000635071548 406416282 /nfs/dbraw/zinc/41/62/82/406416282.db2.gz PRVNBQWEWHVQGT-KRWDZBQOSA-N 1 3 315.461 2.109 20 0 DEADHO CCC1([NH+]2CCCC2)CCN(C(=O)NC2CCN(C)CC2)CC1 ZINC000633074038 406371051 /nfs/dbraw/zinc/37/10/51/406371051.db2.gz GNMOITUJATXZBC-UHFFFAOYSA-N 1 3 322.497 2.131 20 0 DEADHO C[C@H]1C[C@@H](N(C)C(=O)[C@H]2C[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000521880732 406373683 /nfs/dbraw/zinc/37/36/83/406373683.db2.gz BWQIOTKRPSPAJF-OWLYRPNTSA-N 1 3 315.461 2.235 20 0 DEADHO C[C@@H](CCC(C)(C)C)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000524925295 406464964 /nfs/dbraw/zinc/46/49/64/406464964.db2.gz UNVSOFKIJUVYJW-HNNXBMFYSA-N 1 3 314.518 2.336 20 0 DEADHO CN1CCC[C@@H](C[NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000526978875 406562865 /nfs/dbraw/zinc/56/28/65/406562865.db2.gz JTPQPJQVYCADPI-AWEZNQCLSA-N 1 3 302.397 2.443 20 0 DEADHO c1[nH]nc2c1CC[C@H](N[C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000572111816 406606937 /nfs/dbraw/zinc/60/69/37/406606937.db2.gz VMTKADJBCGOAKP-UCLAIMLFSA-N 1 3 324.428 2.113 20 0 DEADHO C[NH+](C)CC1(C(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1 ZINC000638207137 406623361 /nfs/dbraw/zinc/62/33/61/406623361.db2.gz YDBFVPOMMNRSKR-QGZVFWFLSA-N 1 3 311.429 2.298 20 0 DEADHO CN(C)C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000549618984 406588089 /nfs/dbraw/zinc/58/80/89/406588089.db2.gz YLHBHXZBZDSHIP-ZFWWWQNUSA-N 1 3 309.841 2.011 20 0 DEADHO CN(C)C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000549618984 406588093 /nfs/dbraw/zinc/58/80/93/406588093.db2.gz YLHBHXZBZDSHIP-ZFWWWQNUSA-N 1 3 309.841 2.011 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638287183 406673535 /nfs/dbraw/zinc/67/35/35/406673535.db2.gz UEEFUFMCPTVNRI-MAUKXSAKSA-N 1 3 313.445 2.157 20 0 DEADHO CCN1CCN(CCC[NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000527639548 406699728 /nfs/dbraw/zinc/69/97/28/406699728.db2.gz GQNMVWPLWPHVLZ-UHFFFAOYSA-N 1 3 300.450 2.285 20 0 DEADHO CN(CCN(C)C1CC1)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000553223224 406742988 /nfs/dbraw/zinc/74/29/88/406742988.db2.gz XFNZDDJEOWOZKX-QGZVFWFLSA-N 1 3 315.461 2.061 20 0 DEADHO CN(CCN(C)C1CC1)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000553223224 406742996 /nfs/dbraw/zinc/74/29/96/406742996.db2.gz XFNZDDJEOWOZKX-QGZVFWFLSA-N 1 3 315.461 2.061 20 0 DEADHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000527815421 406761020 /nfs/dbraw/zinc/76/10/20/406761020.db2.gz LPKMCVWNZWOYJB-PVAVHDDUSA-N 1 3 322.497 2.031 20 0 DEADHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000527815421 406761022 /nfs/dbraw/zinc/76/10/22/406761022.db2.gz LPKMCVWNZWOYJB-PVAVHDDUSA-N 1 3 322.497 2.031 20 0 DEADHO CN1CCC[C@H](CNC(=O)[C@@H]2[NH2+]CC2(C)C)[C@H]1c1cccs1 ZINC000646071477 406768963 /nfs/dbraw/zinc/76/89/63/406768963.db2.gz PLTBRBDAMOYTKP-SNPRPXQTSA-N 1 3 321.490 2.245 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000527653413 406705985 /nfs/dbraw/zinc/70/59/85/406705985.db2.gz TYIJWLAEKXRELS-DLBZAZTESA-N 1 3 322.497 2.177 20 0 DEADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000527653413 406705989 /nfs/dbraw/zinc/70/59/89/406705989.db2.gz TYIJWLAEKXRELS-DLBZAZTESA-N 1 3 322.497 2.177 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527653413 406705992 /nfs/dbraw/zinc/70/59/92/406705992.db2.gz TYIJWLAEKXRELS-DLBZAZTESA-N 1 3 322.497 2.177 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527653413 406705994 /nfs/dbraw/zinc/70/59/94/406705994.db2.gz TYIJWLAEKXRELS-DLBZAZTESA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)CS1 ZINC000638368504 406729261 /nfs/dbraw/zinc/72/92/61/406729261.db2.gz XRDNYWWUGSDYTF-CRAIPNDOSA-N 1 3 319.518 2.418 20 0 DEADHO CCC[NH2+][C@@H](C)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000646106023 406783257 /nfs/dbraw/zinc/78/32/57/406783257.db2.gz OZXZQIRLEPBIGA-RDJZCZTQSA-N 1 3 303.450 2.107 20 0 DEADHO C[C@H]([NH3+])[C@H](C)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000646409850 406858798 /nfs/dbraw/zinc/85/87/98/406858798.db2.gz AQGBZRMAYXIWDT-YQQAZPJKSA-N 1 3 303.450 2.313 20 0 DEADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000646409924 406860145 /nfs/dbraw/zinc/86/01/45/406860145.db2.gz FCIGSCJPYRXQKQ-JQHSSLGASA-N 1 3 315.461 2.328 20 0 DEADHO CSc1ccc(CN[C@@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000641720062 406878003 /nfs/dbraw/zinc/87/80/03/406878003.db2.gz NBJJXARWKYISQM-CYBMUJFWSA-N 1 3 309.479 2.260 20 0 DEADHO [NH3+]C[C@@H]1CN(C[C@@H]2CCC3(CCCC3)O2)CC12CCOCC2 ZINC000641798640 406894865 /nfs/dbraw/zinc/89/48/65/406894865.db2.gz KMWYCPWGSWMKLI-CVEARBPZSA-N 1 3 308.466 2.166 20 0 DEADHO CSc1ccccc1NC(=O)CC[NH2+][C@@H]1C[C@@H](N)C1(C)C ZINC000641803115 406896282 /nfs/dbraw/zinc/89/62/82/406896282.db2.gz DVTIOWJJCQXLNC-ZIAGYGMSSA-N 1 3 307.463 2.453 20 0 DEADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CO[C@H](C)C2)CC1 ZINC000647172154 406964025 /nfs/dbraw/zinc/96/40/25/406964025.db2.gz KPCSSONNBKBBRG-APWZRJJASA-N 1 3 317.477 2.091 20 0 DEADHO CC1([NH3+])CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000646992806 406936723 /nfs/dbraw/zinc/93/67/23/406936723.db2.gz ZMUCXJQCXNUBFB-UHFFFAOYSA-N 1 3 315.461 2.238 20 0 DEADHO Cc1ccc([C@H](CCn2cncn2)[NH2+][C@@H]2CCN[C@@H](C)C2)cc1 ZINC000643525779 407010728 /nfs/dbraw/zinc/01/07/28/407010728.db2.gz CNWZNNDFVZCWRN-JQHSSLGASA-N 1 3 313.449 2.448 20 0 DEADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc2c(c1)OCC(=O)N2 ZINC000643523835 407010801 /nfs/dbraw/zinc/01/08/01/407010801.db2.gz ZWNXZQGKXDOBGA-GFCCVEGCSA-N 1 3 323.396 2.472 20 0 DEADHO COCCc1nc(C)c([C@H](C)N[C@H]2CC23CC[NH2+]CC3)s1 ZINC000643536360 407012355 /nfs/dbraw/zinc/01/23/55/407012355.db2.gz TXICQPBQIQUGAW-AAEUAGOBSA-N 1 3 309.479 2.433 20 0 DEADHO Cc1nc(CN2CCC(C[NH2+][C@@H]3CNC[C@H](C)C3)CC2)oc1C ZINC000647548545 407018381 /nfs/dbraw/zinc/01/83/81/407018381.db2.gz HGIOWBDRHAUITL-DYVFJYSZSA-N 1 3 320.481 2.091 20 0 DEADHO Cc1nc(CN2CCC(CN[C@@H]3C[NH2+]C[C@H](C)C3)CC2)oc1C ZINC000647548545 407018385 /nfs/dbraw/zinc/01/83/85/407018385.db2.gz HGIOWBDRHAUITL-DYVFJYSZSA-N 1 3 320.481 2.091 20 0 DEADHO C[C@@H](c1ccncc1)N1CCC([NH2+][C@H]2CNC[C@@H](C)C2)CC1 ZINC000647550489 407019289 /nfs/dbraw/zinc/01/92/89/407019289.db2.gz UCWZHPLMGRCTIY-RLFYNMQTSA-N 1 3 302.466 2.195 20 0 DEADHO C[C@@H](c1ccncc1)N1CCC(N[C@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC000647550489 407019291 /nfs/dbraw/zinc/01/92/91/407019291.db2.gz UCWZHPLMGRCTIY-RLFYNMQTSA-N 1 3 302.466 2.195 20 0 DEADHO COc1cc(CNCc2ccc(C[NH3+])cc2)cc(OC)c1O ZINC000647553272 407019813 /nfs/dbraw/zinc/01/98/13/407019813.db2.gz NZRVYJYAFGHYLH-UHFFFAOYSA-N 1 3 302.374 2.158 20 0 DEADHO COc1ccc([C@@H](CC(C)C)NC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000647300021 406984450 /nfs/dbraw/zinc/98/44/50/406984450.db2.gz OWOYRNSNVMAERA-MSOLQXFVSA-N 1 3 306.450 2.439 20 0 DEADHO COc1ccc([C@@H](CC(C)C)NC[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000647300021 406984454 /nfs/dbraw/zinc/98/44/54/406984454.db2.gz OWOYRNSNVMAERA-MSOLQXFVSA-N 1 3 306.450 2.439 20 0 DEADHO Cc1cccc(C)c1OC[C@H](O)CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000643464018 407003582 /nfs/dbraw/zinc/00/35/82/407003582.db2.gz UUNGATMJOTYUBX-BRWVUGGUSA-N 1 3 306.450 2.150 20 0 DEADHO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000643464018 407003583 /nfs/dbraw/zinc/00/35/83/407003583.db2.gz UUNGATMJOTYUBX-BRWVUGGUSA-N 1 3 306.450 2.150 20 0 DEADHO Cc1c([C@@H](C)NCC2CC[NH2+]CC2)nnn1-c1ccc(F)cc1 ZINC000643497840 407007343 /nfs/dbraw/zinc/00/73/43/407007343.db2.gz PLFVYYJECFFAIA-GFCCVEGCSA-N 1 3 317.412 2.365 20 0 DEADHO CC[C@H]1CN(Cc2ccc(OCCN(C)C)cc2)CC[C@H]1[NH3+] ZINC000647498649 407008340 /nfs/dbraw/zinc/00/83/40/407008340.db2.gz LXJNYZRWDUPCBU-FUHWJXTLSA-N 1 3 305.466 2.186 20 0 DEADHO CC[C@@H]1CN(CCC(=O)NCc2ccccc2Cl)CC[C@@H]1[NH3+] ZINC000647938361 407079860 /nfs/dbraw/zinc/07/98/60/407079860.db2.gz KQQAENHBBISQPP-CJNGLKHVSA-N 1 3 323.868 2.406 20 0 DEADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C2COCCOC2)C3)cc1 ZINC000644553520 407141518 /nfs/dbraw/zinc/14/15/18/407141518.db2.gz UWMSCAYIBIZXMN-GGPHIMKMSA-N 1 3 316.445 2.187 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000645107914 407232513 /nfs/dbraw/zinc/23/25/13/407232513.db2.gz SOMZENNDFOIWCC-GVDBMIGSSA-N 1 3 307.482 2.275 20 0 DEADHO [NH3+][C@H](CCC(=O)N1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000645222390 407248986 /nfs/dbraw/zinc/24/89/86/407248986.db2.gz ZKDIKMZATZVONL-GOSISDBHSA-N 1 3 324.428 2.210 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)c1ccsc1 ZINC000645485166 407284236 /nfs/dbraw/zinc/28/42/36/407284236.db2.gz HXXKTMOTHZWKGH-ZIAGYGMSSA-N 1 3 309.479 2.245 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)C[C@@H]1CCCN1C ZINC000420785514 287265370 /nfs/dbraw/zinc/26/53/70/287265370.db2.gz UPTZVSQLPXIJCJ-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(C)C[C@@H]1CCCN1C ZINC000420785514 287265372 /nfs/dbraw/zinc/26/53/72/287265372.db2.gz UPTZVSQLPXIJCJ-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)N(C)C ZINC000131917138 196209813 /nfs/dbraw/zinc/20/98/13/196209813.db2.gz XCEKVMXNNVIUIQ-BPQIPLTHSA-N 1 3 317.477 2.496 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)N(C)C ZINC000131917138 196209814 /nfs/dbraw/zinc/20/98/14/196209814.db2.gz XCEKVMXNNVIUIQ-BPQIPLTHSA-N 1 3 317.477 2.496 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000132380403 196250930 /nfs/dbraw/zinc/25/09/30/196250930.db2.gz URLGEYNPYHMDEJ-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@H]1C[C@H](NC(=O)N(CCC[NH3+])CC2CCCC2)CN1C1CC1 ZINC000417858696 229126941 /nfs/dbraw/zinc/12/69/41/229126941.db2.gz PZPICXPXYBALTN-HOCLYGCPSA-N 1 3 322.497 2.162 20 0 DEADHO C[C@H](NC(=O)C(C)(C)[C@H](N)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000417777968 229096160 /nfs/dbraw/zinc/09/61/60/229096160.db2.gz DWTRAOSQWMSNJB-CWRNSKLLSA-N 1 3 303.450 2.217 20 0 DEADHO C[C@H](NC(=O)N1CCN[C@H](C)[C@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000418160182 229246338 /nfs/dbraw/zinc/24/63/38/229246338.db2.gz BBCNTNIJNZXZQO-JYYAWHABSA-N 1 3 318.465 2.070 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418321369 229310174 /nfs/dbraw/zinc/31/01/74/229310174.db2.gz RSBKAHYMRSSDQS-KRWDZBQOSA-N 1 3 324.513 2.140 20 0 DEADHO C[C@@H](NC(=O)N1CCN(C2CCCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000418346124 229317205 /nfs/dbraw/zinc/31/72/05/229317205.db2.gz PNFSCKXOBVXZDT-CVEARBPZSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H](NC(=O)N1CCN(CCC(C)(C)C)CC1)[C@H]1CCC[NH2+]C1 ZINC000418343282 229317925 /nfs/dbraw/zinc/31/79/25/229317925.db2.gz NSMUATQIOLKRRQ-CVEARBPZSA-N 1 3 324.513 2.138 20 0 DEADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418587871 229396098 /nfs/dbraw/zinc/39/60/98/229396098.db2.gz RJROYBSGENZHOI-GJZGRUSLSA-N 1 3 324.494 2.091 20 0 DEADHO C[C@H]1CC[NH2+]CC[C@H]1NCCc1nccn1Cc1ccccc1 ZINC000422819909 230225245 /nfs/dbraw/zinc/22/52/45/230225245.db2.gz OFYFDUWCWNFETO-FUHWJXTLSA-N 1 3 312.461 2.452 20 0 DEADHO Cc1cc(F)ccc1CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422868930 230250152 /nfs/dbraw/zinc/25/01/52/230250152.db2.gz VWUAGJIQWTYMPZ-FGTMMUONSA-N 1 3 306.425 2.423 20 0 DEADHO Cc1ccc(OCCCC[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)N)cc1 ZINC000422896818 230267297 /nfs/dbraw/zinc/26/72/97/230267297.db2.gz IQIVOVFDTLPNPR-BPQIPLTHSA-N 1 3 306.450 2.496 20 0 DEADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cnccc1N ZINC000422912013 230276513 /nfs/dbraw/zinc/27/65/13/230276513.db2.gz MBVOBSBEDODWRE-ZNMIVQPWSA-N 1 3 306.454 2.034 20 0 DEADHO COc1cc(OC)cc(OCCC[NH2+][C@@H]2CCNCC[C@H]2C)c1 ZINC000422930412 230283326 /nfs/dbraw/zinc/28/33/26/230283326.db2.gz UFYCOXGIBAGHNH-RDTXWAMCSA-N 1 3 322.449 2.450 20 0 DEADHO COc1cc(OC)cc(OCCCN[C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422930412 230283334 /nfs/dbraw/zinc/28/33/34/230283334.db2.gz UFYCOXGIBAGHNH-RDTXWAMCSA-N 1 3 322.449 2.450 20 0 DEADHO C[C@H](NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423015783 230318358 /nfs/dbraw/zinc/31/83/58/230318358.db2.gz RSFTVUDYLVKWBO-SZMVWBNQSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCc1csc(C(C)(C)C)n1 ZINC000423020833 230319757 /nfs/dbraw/zinc/31/97/57/230319757.db2.gz CWSCWYOORIGSCA-IACUBPJLSA-N 1 3 311.495 2.325 20 0 DEADHO Cc1ccccc1C[C@H](CO)N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423055561 230331726 /nfs/dbraw/zinc/33/17/26/230331726.db2.gz DGVNMVKDBICROK-AKHDSKFASA-N 1 3 302.462 2.409 20 0 DEADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(N2CCOCC2)c1 ZINC000423138998 230362563 /nfs/dbraw/zinc/36/25/63/230362563.db2.gz UTXSIFQYLDFEBP-QZTJIDSGSA-N 1 3 303.450 2.273 20 0 DEADHO CC[N@@H+]1CC[C@@H](NCCNc2ccc3ccccc3n2)[C@H](C)C1 ZINC000358391734 424823051 /nfs/dbraw/zinc/82/30/51/424823051.db2.gz FMLPALBXLWUDAK-NVXWUHKLSA-N 1 3 312.461 2.967 20 0 DEADHO CC[N@H+]1CC[C@@H](NCCNc2ccc3ccccc3n2)[C@H](C)C1 ZINC000358391734 424823052 /nfs/dbraw/zinc/82/30/52/424823052.db2.gz FMLPALBXLWUDAK-NVXWUHKLSA-N 1 3 312.461 2.967 20 0 DEADHO CC(C)([NH3+])CCC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000390703998 424917683 /nfs/dbraw/zinc/91/76/83/424917683.db2.gz FKHNDRKAWJDYTN-INIZCTEOSA-N 1 3 303.450 2.285 20 0 DEADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H](c1ccccc1)N(C)C ZINC000648863997 424919118 /nfs/dbraw/zinc/91/91/18/424919118.db2.gz IJABEPHAZSSLHF-ABFRBSLYSA-N 1 3 303.450 2.134 20 0 DEADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H](c1ccccc1)N(C)C ZINC000648863997 424919119 /nfs/dbraw/zinc/91/91/19/424919119.db2.gz IJABEPHAZSSLHF-ABFRBSLYSA-N 1 3 303.450 2.134 20 0 DEADHO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H](c1ccccc1)N(C)C ZINC000648863999 424919430 /nfs/dbraw/zinc/91/94/30/424919430.db2.gz IJABEPHAZSSLHF-SRABZTEZSA-N 1 3 303.450 2.134 20 0 DEADHO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H](c1ccccc1)N(C)C ZINC000648863999 424919433 /nfs/dbraw/zinc/91/94/33/424919433.db2.gz IJABEPHAZSSLHF-SRABZTEZSA-N 1 3 303.450 2.134 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC000648873695 424921140 /nfs/dbraw/zinc/92/11/40/424921140.db2.gz DLJLYRVTPDQQSR-IDCNUPLLSA-N 1 3 317.477 2.443 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC000648873695 424921142 /nfs/dbraw/zinc/92/11/42/424921142.db2.gz DLJLYRVTPDQQSR-IDCNUPLLSA-N 1 3 317.477 2.443 20 0 DEADHO C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1nnc2n1CCCCC2 ZINC000400969172 424923410 /nfs/dbraw/zinc/92/34/10/424923410.db2.gz OMGZRULPNDHVQY-GBJTYRQASA-N 1 3 303.454 2.043 20 0 DEADHO CC[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)[C@@H](O)C(F)F ZINC000648694021 424894566 /nfs/dbraw/zinc/89/45/66/424894566.db2.gz RLWOCMQNYQTVKJ-HUUCEWRRSA-N 1 3 316.392 2.121 20 0 DEADHO Nc1cc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)ccn1 ZINC000377314705 424901767 /nfs/dbraw/zinc/90/17/67/424901767.db2.gz FNOLVXMMOSLCSJ-RTBURBONSA-N 1 3 322.456 2.618 20 0 DEADHO Nc1cc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)ccn1 ZINC000377314705 424901770 /nfs/dbraw/zinc/90/17/70/424901770.db2.gz FNOLVXMMOSLCSJ-RTBURBONSA-N 1 3 322.456 2.618 20 0 DEADHO C[C@@H](C[C@H]1CCC[NH2+]1)NCc1ccccc1OCCN(C)C ZINC000415086437 424948947 /nfs/dbraw/zinc/94/89/47/424948947.db2.gz SFTUFSURGHWBQC-DOTOQJQBSA-N 1 3 305.466 2.247 20 0 DEADHO Cc1cccc(N2CCC(N[C@H](C)C[C@@H]3CCC[NH2+]3)CC2)n1 ZINC000415086662 424949248 /nfs/dbraw/zinc/94/92/48/424949248.db2.gz JYEKEGCCICESQZ-WBVHZDCISA-N 1 3 302.466 2.479 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1CNCCC1(F)F ZINC000649294947 424985406 /nfs/dbraw/zinc/98/54/06/424985406.db2.gz WWPLTWRUXAZALR-KGLIPLIRSA-N 1 3 317.424 2.002 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CNCCC1(F)F ZINC000649294947 424985407 /nfs/dbraw/zinc/98/54/07/424985407.db2.gz WWPLTWRUXAZALR-KGLIPLIRSA-N 1 3 317.424 2.002 20 0 DEADHO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)C1 ZINC000649342932 424998593 /nfs/dbraw/zinc/99/85/93/424998593.db2.gz XTUYFLBRWOABAM-BPQIPLTHSA-N 1 3 315.461 2.107 20 0 DEADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3cccc4c3OCO4)C2)C1 ZINC000650705846 425037919 /nfs/dbraw/zinc/03/79/19/425037919.db2.gz YKLRBTBLZMEDGL-FRFSOERESA-N 1 3 318.417 2.134 20 0 DEADHO CC(C)(C)c1n[nH]cc1CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650706624 425040329 /nfs/dbraw/zinc/04/03/29/425040329.db2.gz OLYUTWQVZDJMNN-BPUTZDHNSA-N 1 3 320.481 2.426 20 0 DEADHO COc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1O ZINC000650721939 425042572 /nfs/dbraw/zinc/04/25/72/425042572.db2.gz GYLCRSFNAKUTFE-HDMKZQKVSA-N 1 3 320.433 2.262 20 0 DEADHO CC(C)n1nccc1CN1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650723239 425043036 /nfs/dbraw/zinc/04/30/36/425043036.db2.gz JZKLSHAHFUSVCE-OIISXLGYSA-N 1 3 306.454 2.325 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N(C)CCN1CCCCC1 ZINC000651105702 425102343 /nfs/dbraw/zinc/10/23/43/425102343.db2.gz FFEOCXSYTXGGNJ-MRXNPFEDSA-N 1 3 312.502 2.234 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(C)CCN1CCCCC1 ZINC000651105702 425102344 /nfs/dbraw/zinc/10/23/44/425102344.db2.gz FFEOCXSYTXGGNJ-MRXNPFEDSA-N 1 3 312.502 2.234 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000651194537 425114454 /nfs/dbraw/zinc/11/44/54/425114454.db2.gz IWKZPUZTPANVKY-IRXDYDNUSA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000651194537 425114456 /nfs/dbraw/zinc/11/44/56/425114456.db2.gz IWKZPUZTPANVKY-IRXDYDNUSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H]([NH2+][C@H](C)C1CCN(C)CC1)C(=O)NCCc1ccccc1 ZINC000651497850 425137423 /nfs/dbraw/zinc/13/74/23/425137423.db2.gz WDZDQPLMDNTIRW-HZPDHXFCSA-N 1 3 317.477 2.054 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000666754636 425175820 /nfs/dbraw/zinc/17/58/20/425175820.db2.gz QIPMYOWCRQMIKB-DLBZAZTESA-N 1 3 324.513 2.231 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000666754636 425175823 /nfs/dbraw/zinc/17/58/23/425175823.db2.gz QIPMYOWCRQMIKB-DLBZAZTESA-N 1 3 324.513 2.231 20 0 DEADHO Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000660657697 425194996 /nfs/dbraw/zinc/19/49/96/425194996.db2.gz ZRMIBNQWYYPHRS-HKUYNNGSSA-N 1 3 318.461 2.152 20 0 DEADHO Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000660657697 425194999 /nfs/dbraw/zinc/19/49/99/425194999.db2.gz ZRMIBNQWYYPHRS-HKUYNNGSSA-N 1 3 318.461 2.152 20 0 DEADHO Cc1ccc([C@H](CNC(=O)NCCC2(C[NH3+])CC2)N(C)C)cc1 ZINC000652141595 425196211 /nfs/dbraw/zinc/19/62/11/425196211.db2.gz VBHBTNMSTUGZRO-INIZCTEOSA-N 1 3 318.465 2.026 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NCc1ccccc1C[NH2+]C ZINC000652150462 425196668 /nfs/dbraw/zinc/19/66/68/425196668.db2.gz XOOHZMLVXUYNSM-KRWDZBQOSA-N 1 3 318.465 2.080 20 0 DEADHO COc1cccc(-c2n[nH]cc2CN[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000666852269 425197191 /nfs/dbraw/zinc/19/71/91/425197191.db2.gz WDCIQLBYZQGNNE-HUUCEWRRSA-N 1 3 300.406 2.445 20 0 DEADHO CCN(C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCN(C)C1 ZINC000663635760 425202086 /nfs/dbraw/zinc/20/20/86/425202086.db2.gz SPFHGUDVMWECOF-BRWVUGGUSA-N 1 3 324.513 2.090 20 0 DEADHO CCN(C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[C@@H]1CCN(C)C1 ZINC000663654569 425206013 /nfs/dbraw/zinc/20/60/13/425206013.db2.gz HZTDNOBVELVEJT-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO CCN(C(=O)NCCCC[N@H+]1CCCC[C@H]1C)[C@@H]1CCN(C)C1 ZINC000663654569 425206016 /nfs/dbraw/zinc/20/60/16/425206016.db2.gz HZTDNOBVELVEJT-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO CCN1C[C@H](C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3C)CC2)CC1=O ZINC000652015772 425162687 /nfs/dbraw/zinc/16/26/87/425162687.db2.gz LJSGBZCVEKBBBP-XYJFISCASA-N 1 3 321.509 2.488 20 0 DEADHO CCN1C[C@H](CNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CC1=O ZINC000652015772 425162693 /nfs/dbraw/zinc/16/26/93/425162693.db2.gz LJSGBZCVEKBBBP-XYJFISCASA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](C)CCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000660572320 425164213 /nfs/dbraw/zinc/16/42/13/425164213.db2.gz BESXDOIYIBOETL-OAHLLOKOSA-N 1 3 324.513 2.280 20 0 DEADHO C[NH2+]Cc1ccccc1CNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000652287464 425231703 /nfs/dbraw/zinc/23/17/03/425231703.db2.gz YLYPSLRYFAZTGQ-PBHICJAKSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)N1CCC(C)CC1 ZINC000660846860 425254971 /nfs/dbraw/zinc/25/49/71/425254971.db2.gz KDMVDWADSLOJDM-CVEARBPZSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)N1CCC(C)CC1 ZINC000660846860 425254975 /nfs/dbraw/zinc/25/49/75/425254975.db2.gz KDMVDWADSLOJDM-CVEARBPZSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)N(C)C1CC1 ZINC000660854814 425258962 /nfs/dbraw/zinc/25/89/62/425258962.db2.gz DUCBLAGETVXJCH-CABCVRRESA-N 1 3 322.497 2.175 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)N(C)C1CC1 ZINC000660854814 425258964 /nfs/dbraw/zinc/25/89/64/425258964.db2.gz DUCBLAGETVXJCH-CABCVRRESA-N 1 3 322.497 2.175 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000654351392 425330712 /nfs/dbraw/zinc/33/07/12/425330712.db2.gz ZXKVLLSQVCFKKN-IAGOWNOFSA-N 1 3 322.497 2.175 20 0 DEADHO CN1CCN(CC[NH2+]Cc2cc3ccncc3s2)CC1(C)C ZINC000657459091 425340060 /nfs/dbraw/zinc/34/00/60/425340060.db2.gz SQZAZPPXBOIMIG-UHFFFAOYSA-N 1 3 318.490 2.412 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000652523643 425289763 /nfs/dbraw/zinc/28/97/63/425289763.db2.gz XFIWZWOHQHIZTJ-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000652523643 425289768 /nfs/dbraw/zinc/28/97/68/425289768.db2.gz XFIWZWOHQHIZTJ-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)CO1 ZINC000657318200 425301975 /nfs/dbraw/zinc/30/19/75/425301975.db2.gz MVGXIVHXIZQQBI-RBUKOAKNSA-N 1 3 317.477 2.091 20 0 DEADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654405656 425345657 /nfs/dbraw/zinc/34/56/57/425345657.db2.gz SVDHDTCLHYMWLR-ARFHVFGLSA-N 1 3 310.486 2.033 20 0 DEADHO Cc1ncsc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657535135 425358239 /nfs/dbraw/zinc/35/82/39/425358239.db2.gz GBPNSVNFFCDZQW-UHFFFAOYSA-N 1 3 309.479 2.432 20 0 DEADHO C[N@H+](CCCCNC(=O)N[C@@H]1CCCN2CCCC[C@H]12)C1CC1 ZINC000654588210 425391341 /nfs/dbraw/zinc/39/13/41/425391341.db2.gz SJSIENGGEHOHSC-IAGOWNOFSA-N 1 3 322.497 2.177 20 0 DEADHO C[N@@H+](CCCCNC(=O)N[C@@H]1CCCN2CCCC[C@H]12)C1CC1 ZINC000654588210 425391345 /nfs/dbraw/zinc/39/13/45/425391345.db2.gz SJSIENGGEHOHSC-IAGOWNOFSA-N 1 3 322.497 2.177 20 0 DEADHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)Cn2cncn2)c1 ZINC000657841702 425407752 /nfs/dbraw/zinc/40/77/52/425407752.db2.gz QSHZESGDJKRCED-HNNXBMFYSA-N 1 3 301.438 2.298 20 0 DEADHO CCOC1CCC([NH2+]CCCCN2CCN(CC)CC2)CC1 ZINC000657837352 425408381 /nfs/dbraw/zinc/40/83/81/425408381.db2.gz YLHHJLWUWJWMTF-UHFFFAOYSA-N 1 3 311.514 2.341 20 0 DEADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2CCC[NH2+]CC2)C1 ZINC000653121770 425410812 /nfs/dbraw/zinc/41/08/12/425410812.db2.gz BMBMICDUENZRGH-MSOLQXFVSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@H](CCN[C@@H](C)Cn1cncn1)[N@H+](C)Cc1ccccc1 ZINC000657898981 425413757 /nfs/dbraw/zinc/41/37/57/425413757.db2.gz HPBPIFAXHCJWLB-JKSUJKDBSA-N 1 3 301.438 2.167 20 0 DEADHO C[C@H](CCN[C@@H](C)Cn1cncn1)[N@@H+](C)Cc1ccccc1 ZINC000657898981 425413759 /nfs/dbraw/zinc/41/37/59/425413759.db2.gz HPBPIFAXHCJWLB-JKSUJKDBSA-N 1 3 301.438 2.167 20 0 DEADHO CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[C@H]1CCN(CC)C1 ZINC000664368406 425371076 /nfs/dbraw/zinc/37/10/76/425371076.db2.gz JAAVGLLVGSVDTM-CABCVRRESA-N 1 3 312.502 2.088 20 0 DEADHO CC(C)OC[C@@H](C)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000657595375 425371557 /nfs/dbraw/zinc/37/15/57/425371557.db2.gz HIRBOITZYNCEDP-QAPCUYQASA-N 1 3 306.450 2.156 20 0 DEADHO Cc1ncccc1CNCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657594590 425372318 /nfs/dbraw/zinc/37/23/18/425372318.db2.gz IYBZOIDVCGGJFK-IBGZPJMESA-N 1 3 311.429 2.246 20 0 DEADHO Cc1ncccc1CNCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657594590 425372323 /nfs/dbraw/zinc/37/23/23/425372323.db2.gz IYBZOIDVCGGJFK-IBGZPJMESA-N 1 3 311.429 2.246 20 0 DEADHO CC(C)OC[C@H](C)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000657595374 425372401 /nfs/dbraw/zinc/37/24/01/425372401.db2.gz HIRBOITZYNCEDP-MAUKXSAKSA-N 1 3 306.450 2.156 20 0 DEADHO O[C@H]1CCN(Cc2ccc(C[NH2+][C@H]3CCCSC3)cc2)C1 ZINC000657597692 425372919 /nfs/dbraw/zinc/37/29/19/425372919.db2.gz WOGZUXNTVMVRNV-IRXDYDNUSA-N 1 3 306.475 2.238 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000661295991 425372971 /nfs/dbraw/zinc/37/29/71/425372971.db2.gz ADTYJIKSDWIFLO-INIZCTEOSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000661295991 425372974 /nfs/dbraw/zinc/37/29/74/425372974.db2.gz ADTYJIKSDWIFLO-INIZCTEOSA-N 1 3 324.513 2.280 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654569594 425384312 /nfs/dbraw/zinc/38/43/12/425384312.db2.gz KXQHBQNHMQDDAP-BBWFWOEESA-N 1 3 324.513 2.423 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654569594 425384319 /nfs/dbraw/zinc/38/43/19/425384319.db2.gz KXQHBQNHMQDDAP-BBWFWOEESA-N 1 3 324.513 2.423 20 0 DEADHO CC(C)(C[NH+]1CCCC1)NC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654737642 425431006 /nfs/dbraw/zinc/43/10/06/425431006.db2.gz LPBRKGHCCPBQLM-HZPDHXFCSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000661516215 425432361 /nfs/dbraw/zinc/43/23/61/425432361.db2.gz YZGJVGLTJFWMGP-CVEARBPZSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661516215 425432365 /nfs/dbraw/zinc/43/23/65/425432365.db2.gz YZGJVGLTJFWMGP-CVEARBPZSA-N 1 3 324.513 2.279 20 0 DEADHO Cc1cc([C@@H](C)NCC2CC[NH+](C3CCOCC3)CC2)nn1C ZINC000658071407 425433606 /nfs/dbraw/zinc/43/36/06/425433606.db2.gz WXWAVFMAGWPARO-OAHLLOKOSA-N 1 3 320.481 2.270 20 0 DEADHO CCC[N@H+](C)CC(C)(C)NC(=O)[C@H]1CNCc2ccccc21 ZINC000664719773 425442341 /nfs/dbraw/zinc/44/23/41/425442341.db2.gz ZCQIYYJJQAGEFM-INIZCTEOSA-N 1 3 303.450 2.110 20 0 DEADHO CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H]1CNCc2ccccc21 ZINC000664719773 425442343 /nfs/dbraw/zinc/44/23/43/425442343.db2.gz ZCQIYYJJQAGEFM-INIZCTEOSA-N 1 3 303.450 2.110 20 0 DEADHO CC(C)(C(=O)NCCC1CC[NH2+]CC1)[C@H](N)c1ccccc1 ZINC000653273222 425448983 /nfs/dbraw/zinc/44/89/83/425448983.db2.gz TVYFKJYFOPANHJ-MRXNPFEDSA-N 1 3 303.450 2.219 20 0 DEADHO NCc1cccc(NC(=O)NCC2CC[NH+](CC3CC3)CC2)c1 ZINC000659018061 425521032 /nfs/dbraw/zinc/52/10/32/425521032.db2.gz JYKJEEDADIEVPA-UHFFFAOYSA-N 1 3 316.449 2.389 20 0 DEADHO FC1(F)C[C@@H]1OCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665244677 425527570 /nfs/dbraw/zinc/52/75/70/425527570.db2.gz SVMJWTFLCREKEY-VNQPRFMTSA-N 1 3 324.371 2.256 20 0 DEADHO C[C@H]1CN(C2CC2)C[C@H]1N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665257786 425531209 /nfs/dbraw/zinc/53/12/09/425531209.db2.gz UWXPFGQZFGVADM-JGNHQEBTSA-N 1 3 317.452 2.344 20 0 DEADHO COC[C@H](CCC[NH3+])NCc1cc(-c2ccc(OC)cc2)no1 ZINC000665261412 425532273 /nfs/dbraw/zinc/53/22/73/425532273.db2.gz BUPYILQUZICWBY-AWEZNQCLSA-N 1 3 319.405 2.194 20 0 DEADHO COc1ccc(C[C@H](C)[NH2+]CC23CC(C2)CN3)c(C)c1OC ZINC000665279690 425534026 /nfs/dbraw/zinc/53/40/26/425534026.db2.gz JUTAJDKVRUHROK-DTVQEZCTSA-N 1 3 304.434 2.285 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000665367132 425553899 /nfs/dbraw/zinc/55/38/99/425553899.db2.gz QVCKJUXROPBWLQ-CVEARBPZSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@@H]2CCN2C(C)(C)C)C1 ZINC000665365658 425554815 /nfs/dbraw/zinc/55/48/15/425554815.db2.gz IQNHYKCYSCFYKQ-CABCVRRESA-N 1 3 310.486 2.031 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)NCCC[NH2+]C1CCCCC1 ZINC000665368673 425555635 /nfs/dbraw/zinc/55/56/35/425555635.db2.gz YJSXCHKPQPQNBS-MRXNPFEDSA-N 1 3 324.513 2.471 20 0 DEADHO CO[C@@H](CN1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000662274081 425611058 /nfs/dbraw/zinc/61/10/58/425611058.db2.gz QVNFUWDNHAZMMC-IRXDYDNUSA-N 1 3 304.434 2.061 20 0 DEADHO CCCCO[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCC3(CNC3)O2)C1(C)C ZINC000662258126 425604058 /nfs/dbraw/zinc/60/40/58/425604058.db2.gz IKCVOZVTHKWTHT-OWCLPIDISA-N 1 3 310.482 2.423 20 0 DEADHO CCCCO[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCC3(CNC3)O2)C1(C)C ZINC000662258126 425604061 /nfs/dbraw/zinc/60/40/61/425604061.db2.gz IKCVOZVTHKWTHT-OWCLPIDISA-N 1 3 310.482 2.423 20 0 DEADHO COc1c(C)cc(CN(C)C[C@H]2CCC3(C[NH2+]C3)O2)cc1C ZINC000662257941 425604184 /nfs/dbraw/zinc/60/41/84/425604184.db2.gz RJXPHSYLPAXBGE-MRXNPFEDSA-N 1 3 304.434 2.265 20 0 DEADHO COc1ccccc1[C@@H]1CC[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662257051 425604530 /nfs/dbraw/zinc/60/45/30/425604530.db2.gz PGIPDILIRXMHKI-HUUCEWRRSA-N 1 3 302.418 2.006 20 0 DEADHO COc1ccccc1[C@@H]1CC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662257051 425604532 /nfs/dbraw/zinc/60/45/32/425604532.db2.gz PGIPDILIRXMHKI-HUUCEWRRSA-N 1 3 302.418 2.006 20 0 DEADHO CCN(C[C@@H]1CNCCO1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000662261171 425605565 /nfs/dbraw/zinc/60/55/65/425605565.db2.gz WTFNYIYJQAMYTA-QRQLOZEOSA-N 1 3 317.477 2.132 20 0 DEADHO CCN(C[C@@H]1CNCCO1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000662261171 425605571 /nfs/dbraw/zinc/60/55/71/425605571.db2.gz WTFNYIYJQAMYTA-QRQLOZEOSA-N 1 3 317.477 2.132 20 0 DEADHO CCN(CCC[NH+]1CCCC1)C(=O)NC1CCN(C2CC2)CC1 ZINC000190115449 267702454 /nfs/dbraw/zinc/70/24/54/267702454.db2.gz ULIAMRXFEIQJAJ-UHFFFAOYSA-N 1 3 322.497 2.131 20 0 DEADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1NCc2ccccc21 ZINC000662454630 425655282 /nfs/dbraw/zinc/65/52/82/425655282.db2.gz PFCJXOXKKJJIBP-NVXWUHKLSA-N 1 3 301.434 2.212 20 0 DEADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1NCc2ccccc21 ZINC000662454630 425655286 /nfs/dbraw/zinc/65/52/86/425655286.db2.gz PFCJXOXKKJJIBP-NVXWUHKLSA-N 1 3 301.434 2.212 20 0 DEADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H]1NCc2ccccc21 ZINC000662454631 425655483 /nfs/dbraw/zinc/65/54/83/425655483.db2.gz PFCJXOXKKJJIBP-RDJZCZTQSA-N 1 3 301.434 2.212 20 0 DEADHO CC[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H]1NCc2ccccc21 ZINC000662454631 425655486 /nfs/dbraw/zinc/65/54/86/425655486.db2.gz PFCJXOXKKJJIBP-RDJZCZTQSA-N 1 3 301.434 2.212 20 0 DEADHO C[C@@H](CNC1CC[NH+](C(C)(C)C)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655803557 425659518 /nfs/dbraw/zinc/65/95/18/425659518.db2.gz STNDBMVXGHFBHG-HRCADAONSA-N 1 3 311.514 2.337 20 0 DEADHO C[C@@H](C[NH2+]C1CCN(C(C)(C)C)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655803557 425659521 /nfs/dbraw/zinc/65/95/21/425659521.db2.gz STNDBMVXGHFBHG-HRCADAONSA-N 1 3 311.514 2.337 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000662472372 425660250 /nfs/dbraw/zinc/66/02/50/425660250.db2.gz ZDVXOTCIWSENJK-YJBOKZPZSA-N 1 3 313.445 2.165 20 0 DEADHO CC[NH+](CC)CC1CCN(CCc2nnn(C(C)(C)C)n2)CC1 ZINC000659842558 425665127 /nfs/dbraw/zinc/66/51/27/425665127.db2.gz BWAYEOPKXFNEFM-UHFFFAOYSA-N 1 3 322.501 2.024 20 0 DEADHO CN(C)C[C@@H]1CCCN1C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662527657 425676086 /nfs/dbraw/zinc/67/60/86/425676086.db2.gz DYPUEPPHVKCTRJ-IRXDYDNUSA-N 1 3 315.461 2.231 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000659877967 425678111 /nfs/dbraw/zinc/67/81/11/425678111.db2.gz VXXMSROUAQJDEQ-IRXDYDNUSA-N 1 3 311.514 2.148 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000659877967 425678114 /nfs/dbraw/zinc/67/81/14/425678114.db2.gz VXXMSROUAQJDEQ-IRXDYDNUSA-N 1 3 311.514 2.148 20 0 DEADHO CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000659474579 425612124 /nfs/dbraw/zinc/61/21/24/425612124.db2.gz VCEMOPGSGDGDCT-IKGGRYGDSA-N 1 3 318.465 2.104 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)N(C)CC(C)(C)[NH3+])CCN1Cc1ccccc1 ZINC000659492563 425615150 /nfs/dbraw/zinc/61/51/50/425615150.db2.gz GFYJEABIEGFBQP-ZBFHGGJFSA-N 1 3 318.465 2.028 20 0 DEADHO CC(C)N1CCC[C@H](N2CCC([C@@H]3CCC[NH2+]C3)CC2)C1=O ZINC000662292569 425616469 /nfs/dbraw/zinc/61/64/69/425616469.db2.gz OCYCXXUPVFBSOW-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N(C(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1)C(C)C ZINC000662293254 425616730 /nfs/dbraw/zinc/61/67/30/425616730.db2.gz FCLZZWMSIWSOSJ-QGZVFWFLSA-N 1 3 309.498 2.343 20 0 DEADHO CCCCCNC(=O)[C@H](C)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297473 425618272 /nfs/dbraw/zinc/61/82/72/425618272.db2.gz QKLSNSMBKGTQRE-DOTOQJQBSA-N 1 3 309.498 2.393 20 0 DEADHO CCC(CC)C[N@@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662337926 425627181 /nfs/dbraw/zinc/62/71/81/425627181.db2.gz NYEVNNUTOLOWBI-INIZCTEOSA-N 1 3 319.497 2.435 20 0 DEADHO CCC(CC)C[N@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662337926 425627185 /nfs/dbraw/zinc/62/71/85/425627185.db2.gz NYEVNNUTOLOWBI-INIZCTEOSA-N 1 3 319.497 2.435 20 0 DEADHO CN(C)C1(C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)CCCCC1 ZINC000655690403 425630076 /nfs/dbraw/zinc/63/00/76/425630076.db2.gz NRGBDJLIEDTRBU-GOSISDBHSA-N 1 3 323.525 2.484 20 0 DEADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)NCCN3CCCCC3)cc21 ZINC000662386737 425639439 /nfs/dbraw/zinc/63/94/39/425639439.db2.gz GGKGVVRJFXPGPH-KRWDZBQOSA-N 1 3 315.461 2.281 20 0 DEADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000662563868 425682771 /nfs/dbraw/zinc/68/27/71/425682771.db2.gz JLENUYYBCVNJOC-ZQIUZPCESA-N 1 3 301.434 2.102 20 0 DEADHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2cccc3c2CNC3)CC1 ZINC000662578045 425684200 /nfs/dbraw/zinc/68/42/00/425684200.db2.gz PLQMWDYMGVAMER-QGZVFWFLSA-N 1 3 313.445 2.140 20 0 DEADHO O[C@H](CN[C@H]1CCc2cccc(Cl)c2C1)C[NH+]1CCCC1 ZINC000666084877 425697055 /nfs/dbraw/zinc/69/70/55/425697055.db2.gz ONYBSTORIBCBTM-LSDHHAIUSA-N 1 3 308.853 2.244 20 0 DEADHO CN(C)[C@@H](CNC(=O)C1([NH3+])CC2(CCC2)C1)c1ccccc1 ZINC000662661680 425706837 /nfs/dbraw/zinc/70/68/37/425706837.db2.gz TVVMWFMOABRILG-HNNXBMFYSA-N 1 3 301.434 2.067 20 0 DEADHO [NH3+]C1(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC2(CCC2)C1 ZINC000662667073 425707987 /nfs/dbraw/zinc/70/79/87/425707987.db2.gz XEYFYVINUNTLSW-MRXNPFEDSA-N 1 3 313.445 2.039 20 0 DEADHO C[C@@H](CNC(=O)c1cc2c(s1)CCNC2)[N@@H+]1CCCC[C@@H]1C ZINC000662679474 425710196 /nfs/dbraw/zinc/71/01/96/425710196.db2.gz OQUZEJPPAQRDRY-STQMWFEESA-N 1 3 321.490 2.387 20 0 DEADHO C[C@@H](CNC(=O)c1cc2c(s1)CCNC2)[N@H+]1CCCC[C@@H]1C ZINC000662679474 425710200 /nfs/dbraw/zinc/71/02/00/425710200.db2.gz OQUZEJPPAQRDRY-STQMWFEESA-N 1 3 321.490 2.387 20 0 DEADHO O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cccc2c1C[NH2+]C2 ZINC000662685382 425712997 /nfs/dbraw/zinc/71/29/97/425712997.db2.gz RSASMDGTMOTWEA-GOSISDBHSA-N 1 3 323.396 2.203 20 0 DEADHO C[C@H](NC(=O)C[C@@H]1NCc2ccccc21)C1CC[NH+](C)CC1 ZINC000662703973 425717120 /nfs/dbraw/zinc/71/71/20/425717120.db2.gz QEYZYCCTSBFBSC-GUYCJALGSA-N 1 3 301.434 2.068 20 0 DEADHO O=C(N1CCC[C@H]([NH+]2CCCC2)CC1)C1(NC2CC2)CCC1 ZINC000662741090 425727034 /nfs/dbraw/zinc/72/70/34/425727034.db2.gz KJSJVWQGDDFYJL-INIZCTEOSA-N 1 3 305.466 2.138 20 0 DEADHO COc1ccc([C@H](CN[C@H]2CCC[C@@H]([NH3+])C2)N(C)C)cc1OC ZINC000656198335 425729899 /nfs/dbraw/zinc/72/98/99/425729899.db2.gz QKKVNUTVLTXTLR-PMPSAXMXSA-N 1 3 321.465 2.166 20 0 DEADHO CN(C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)C1CCN(C)CC1 ZINC000662767975 425731671 /nfs/dbraw/zinc/73/16/71/425731671.db2.gz YVWFWTBZRANQBC-INIZCTEOSA-N 1 3 315.461 2.231 20 0 DEADHO CCN(C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCN(C)C1 ZINC000666658723 425796093 /nfs/dbraw/zinc/79/60/93/425796093.db2.gz LJTPVGCQLMOKIP-DOTOQJQBSA-N 1 3 322.497 2.129 20 0 DEADHO CCN(C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCN(C)C1 ZINC000666658723 425796097 /nfs/dbraw/zinc/79/60/97/425796097.db2.gz LJTPVGCQLMOKIP-DOTOQJQBSA-N 1 3 322.497 2.129 20 0 DEADHO CCN1CC[C@@H](N2CCC(CC[N@H+](CC)CC3CC3)CC2)C1=O ZINC000660168445 425757228 /nfs/dbraw/zinc/75/72/28/425757228.db2.gz RAGKQYIEBLXPKC-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CC[C@@H](N2CCC(CC[N@@H+](CC)CC3CC3)CC2)C1=O ZINC000660168445 425757231 /nfs/dbraw/zinc/75/72/31/425757231.db2.gz RAGKQYIEBLXPKC-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H](CO)C2)cc1 ZINC000666480216 425761966 /nfs/dbraw/zinc/76/19/66/425761966.db2.gz QHIHCRLHHLHHAV-IAGOWNOFSA-N 1 3 306.450 2.268 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCN(C3CCOCC3)C[C@H]2C)C1 ZINC000660428290 425812538 /nfs/dbraw/zinc/81/25/38/425812538.db2.gz CCNSMXIPOCHQOB-KZNAEPCWSA-N 1 3 323.525 2.149 20 0 DEADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCc1c[nH]nn1 ZINC000660488702 425821707 /nfs/dbraw/zinc/82/17/07/425821707.db2.gz SNMJATMBXFGBQV-KRWDZBQOSA-N 1 3 313.449 2.238 20 0 DEADHO Cc1ccc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000663416521 425837340 /nfs/dbraw/zinc/83/73/40/425837340.db2.gz OGXVVEHBIBRSHG-INIZCTEOSA-N 1 3 320.481 2.066 20 0 DEADHO Cc1ccc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000663416521 425837342 /nfs/dbraw/zinc/83/73/42/425837342.db2.gz OGXVVEHBIBRSHG-INIZCTEOSA-N 1 3 320.481 2.066 20 0 DEADHO c1nn(Cc2ccccc2)cc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000394480983 269100611 /nfs/dbraw/zinc/10/06/11/269100611.db2.gz QEAQPDHMVKASGV-KDURUIRLSA-N 1 3 310.445 2.363 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)CN1Cc1ccccc1 ZINC000398067224 269108547 /nfs/dbraw/zinc/10/85/47/269108547.db2.gz NZUQGGRWWUKNCP-ATLSCFEFSA-N 1 3 315.461 2.154 20 0 DEADHO C[C@H](CNC(=O)OC(C)(C)C)N[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000495689454 269168266 /nfs/dbraw/zinc/16/82/66/269168266.db2.gz TYAZGLOJJKQHIS-LXTVHRRPSA-N 1 3 311.470 2.362 20 0 DEADHO C[C@H](CNC(=O)OC(C)(C)C)N[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000495689454 269168267 /nfs/dbraw/zinc/16/82/67/269168267.db2.gz TYAZGLOJJKQHIS-LXTVHRRPSA-N 1 3 311.470 2.362 20 0 DEADHO COC(=O)N1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000496490897 269223549 /nfs/dbraw/zinc/22/35/49/269223549.db2.gz MFGVNDMIXYUGOX-GVDBMIGSSA-N 1 3 323.481 2.365 20 0 DEADHO COC(=O)Nc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000496571595 269231616 /nfs/dbraw/zinc/23/16/16/269231616.db2.gz NSPAPYCFYNCYEU-XYPWUTKMSA-N 1 3 303.406 2.280 20 0 DEADHO C[C@@H](CN(C)C)NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000512436398 269321361 /nfs/dbraw/zinc/32/13/61/269321361.db2.gz JZIBQFSXRNZYSF-BBWFWOEESA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](CN(C)C)NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000512436398 269321362 /nfs/dbraw/zinc/32/13/62/269321362.db2.gz JZIBQFSXRNZYSF-BBWFWOEESA-N 1 3 324.513 2.233 20 0 DEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000514667062 269327031 /nfs/dbraw/zinc/32/70/31/269327031.db2.gz MKPQGXCKGZIPBU-JYJNAYRXSA-N 1 3 323.506 2.229 20 0 DEADHO CN(CCN1CCCC1)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000514736096 269330022 /nfs/dbraw/zinc/33/00/22/269330022.db2.gz DJJKJIKSHNLDAQ-GOSISDBHSA-N 1 3 315.461 2.063 20 0 DEADHO CN(CCN1CCCC1)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000514736096 269330024 /nfs/dbraw/zinc/33/00/24/269330024.db2.gz DJJKJIKSHNLDAQ-GOSISDBHSA-N 1 3 315.461 2.063 20 0 DEADHO C[C@@H]1C[C@@H](NCCN2CCCC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000515065071 269342651 /nfs/dbraw/zinc/34/26/51/269342651.db2.gz NYWKDPPREGNIDT-AEFFLSMTSA-N 1 3 315.461 2.252 20 0 DEADHO C[C@@H]1C[C@@H](NCCN2CCCC2=O)CC[N@H+]1Cc1ccccc1 ZINC000515065071 269342653 /nfs/dbraw/zinc/34/26/53/269342653.db2.gz NYWKDPPREGNIDT-AEFFLSMTSA-N 1 3 315.461 2.252 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@@H](NC[C@@H](O)COCc2ccccc2F)C1 ZINC000515234304 269348008 /nfs/dbraw/zinc/34/80/08/269348008.db2.gz FKLGBSCFTREDNQ-BRWVUGGUSA-N 1 3 324.440 2.166 20 0 DEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COCc2ccccc2F)C1 ZINC000515234304 269348009 /nfs/dbraw/zinc/34/80/09/269348009.db2.gz FKLGBSCFTREDNQ-BRWVUGGUSA-N 1 3 324.440 2.166 20 0 DEADHO N[C@H]1CCCCC[C@H]1[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000517918753 269394695 /nfs/dbraw/zinc/39/46/95/269394695.db2.gz ORCVHWQQHKVETE-DLBZAZTESA-N 1 3 309.498 2.271 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000418359719 275749023 /nfs/dbraw/zinc/74/90/23/275749023.db2.gz SFKMRSUOPKTFQB-GVDBMIGSSA-N 1 3 318.465 2.379 20 0 DEADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000290128336 276005996 /nfs/dbraw/zinc/00/59/96/276005996.db2.gz JUKFGRAJOMDMDG-JQHSSLGASA-N 1 3 317.477 2.257 20 0 DEADHO CCN(C(=O)[C@H]1CC[NH2+]C1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000446263063 276064336 /nfs/dbraw/zinc/06/43/36/276064336.db2.gz SSTNNHKYPJMOCI-NJAFHUGGSA-N 1 3 315.461 2.280 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)C[C@H](N)c2ccccc2)C1 ZINC000119741992 276331965 /nfs/dbraw/zinc/33/19/65/276331965.db2.gz BQPPUTGBAPHWLL-RDJZCZTQSA-N 1 3 303.450 2.267 20 0 DEADHO CCO[C@@H]1C[C@H](N[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C12CCCC2 ZINC000422804176 276481380 /nfs/dbraw/zinc/48/13/80/276481380.db2.gz KHXBFQODCDHKBC-OBVSXPTNSA-N 1 3 322.493 2.471 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)NCC[C@H]1CCC[NH2+]1)c1ccco1 ZINC000418161392 276618538 /nfs/dbraw/zinc/61/85/38/276618538.db2.gz FDOULWYOOQXUQR-RRFJBIMHSA-N 1 3 322.453 2.150 20 0 DEADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CNC3)[C@@H]1C ZINC000423395773 277325925 /nfs/dbraw/zinc/32/59/25/277325925.db2.gz RYGOORBYHJVBEF-HACGYAERSA-N 1 3 302.418 2.357 20 0 DEADHO C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)COC[C@@H]1CCOC1 ZINC000422776157 277719856 /nfs/dbraw/zinc/71/98/56/277719856.db2.gz DEXOQKYUMKYZAG-WNRNVDISSA-N 1 3 310.482 2.330 20 0 DEADHO C[C@H](C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)[C@@H](N)c1ccccc1 ZINC000261713312 278143211 /nfs/dbraw/zinc/14/32/11/278143211.db2.gz LEZYLKDYRFGWBB-CGTJXYLNSA-N 1 3 315.461 2.409 20 0 DEADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CCN(C2CCCC2)CC1 ZINC000418639776 278221842 /nfs/dbraw/zinc/22/18/42/278221842.db2.gz MARFLAZRLYJXOV-MRXNPFEDSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H](N)[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCc2sccc2C1 ZINC000430649140 278312935 /nfs/dbraw/zinc/31/29/35/278312935.db2.gz IFIHYBWWDHRODV-HIFRSBDPSA-N 1 3 321.490 2.225 20 0 DEADHO C[C@@H](N)[C@@H]1CCCC[N@H+]1CCC(=O)N1CCc2sccc2C1 ZINC000430649140 278312936 /nfs/dbraw/zinc/31/29/36/278312936.db2.gz IFIHYBWWDHRODV-HIFRSBDPSA-N 1 3 321.490 2.225 20 0 DEADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000272255663 278318371 /nfs/dbraw/zinc/31/83/71/278318371.db2.gz MESFIHGERKQUPL-PBHICJAKSA-N 1 3 301.434 2.092 20 0 DEADHO C[C@H]1CC2(CN1CC(=O)N(C)C1CCCCC1)CC[NH2+]CC2 ZINC000424289100 278327961 /nfs/dbraw/zinc/32/79/61/278327961.db2.gz LNFRWZDPYUULCC-HNNXBMFYSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)NCC[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000417312439 278843994 /nfs/dbraw/zinc/84/39/94/278843994.db2.gz NSLZIURKHBBLCM-IAGOWNOFSA-N 1 3 318.465 2.039 20 0 DEADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000448246755 279038421 /nfs/dbraw/zinc/03/84/21/279038421.db2.gz GAVFCKMURSJBKD-CVEARBPZSA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000448246755 279038425 /nfs/dbraw/zinc/03/84/25/279038425.db2.gz GAVFCKMURSJBKD-CVEARBPZSA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)C1 ZINC000177852440 279038681 /nfs/dbraw/zinc/03/86/81/279038681.db2.gz UCRKIKMXZXYFGY-GVDBMIGSSA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)C1 ZINC000177852440 279038682 /nfs/dbraw/zinc/03/86/82/279038682.db2.gz UCRKIKMXZXYFGY-GVDBMIGSSA-N 1 3 324.513 2.090 20 0 DEADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H](N)Cc1ccccc1 ZINC000236855222 279100659 /nfs/dbraw/zinc/10/06/59/279100659.db2.gz ODFRMCVSGWDNHM-NVXWUHKLSA-N 1 3 305.466 2.183 20 0 DEADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC000450758080 279123140 /nfs/dbraw/zinc/12/31/40/279123140.db2.gz NLRKNNIDPFHTPS-YESZJQIVSA-N 1 3 309.498 2.393 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)C1 ZINC000340934628 279149654 /nfs/dbraw/zinc/14/96/54/279149654.db2.gz MCMGPHUFOGYRRB-BRWVUGGUSA-N 1 3 324.513 2.375 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246552329 279265545 /nfs/dbraw/zinc/26/55/45/279265545.db2.gz XHYCYERNJCOGIV-CGTJXYLNSA-N 1 3 319.493 2.336 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246552329 279265548 /nfs/dbraw/zinc/26/55/48/279265548.db2.gz XHYCYERNJCOGIV-CGTJXYLNSA-N 1 3 319.493 2.336 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000247475349 279281171 /nfs/dbraw/zinc/28/11/71/279281171.db2.gz IAQVCBAOQHDMHA-SJORKVTESA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000247475349 279281173 /nfs/dbraw/zinc/28/11/73/279281173.db2.gz IAQVCBAOQHDMHA-SJORKVTESA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000438910251 288130645 /nfs/dbraw/zinc/13/06/45/288130645.db2.gz GQJGUFUZTNMUNQ-OLMNPRSZSA-N 1 3 319.493 2.382 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000438910251 288130649 /nfs/dbraw/zinc/13/06/49/288130649.db2.gz GQJGUFUZTNMUNQ-OLMNPRSZSA-N 1 3 319.493 2.382 20 0 DEADHO C[C@@H]1CN(CC2CC[NH+](CC3(O)CCCC3)CC2)C[C@@H](C)O1 ZINC000348281159 288152390 /nfs/dbraw/zinc/15/23/90/288152390.db2.gz JRJODBNKISKGTN-HZPDHXFCSA-N 1 3 310.482 2.113 20 0 DEADHO C[C@H]1CCN(C(=O)Nc2ccccc2CCN(C)C)[C@@H](C[NH3+])C1 ZINC000415554041 279702814 /nfs/dbraw/zinc/70/28/14/279702814.db2.gz AXTQTWSXRQIZKU-GOEBONIOSA-N 1 3 318.465 2.382 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC23CCOCC3)C[C@@H](C)O1 ZINC000367064156 288159860 /nfs/dbraw/zinc/15/98/60/288159860.db2.gz BSWFKLIXNOVSRL-BRWVUGGUSA-N 1 3 310.482 2.425 20 0 DEADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000353762760 280070449 /nfs/dbraw/zinc/07/04/49/280070449.db2.gz SLVDDOZPPVYOFL-NJAFHUGGSA-N 1 3 317.477 2.257 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000433166261 280236964 /nfs/dbraw/zinc/23/69/64/280236964.db2.gz FOTPJFZZEPWSEQ-DZKIICNBSA-N 1 3 323.506 2.478 20 0 DEADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCC(C)(C)N1CCCCC1 ZINC000416830028 280279106 /nfs/dbraw/zinc/27/91/06/280279106.db2.gz NWBCVYQRNHVJLO-OAHLLOKOSA-N 1 3 312.502 2.266 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)N(C)CCC[NH+]1CCCC1 ZINC000341231840 281053740 /nfs/dbraw/zinc/05/37/40/281053740.db2.gz WLWXDLDBQBCPAO-KRWDZBQOSA-N 1 3 324.513 2.378 20 0 DEADHO CCc1ccc([C@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])N(C)C)cc1 ZINC000261659320 281425917 /nfs/dbraw/zinc/42/59/17/281425917.db2.gz FCJZMZIPDRYDKY-KSZLIROESA-N 1 3 317.477 2.485 20 0 DEADHO Cc1ccccc1CN1CCC(NC(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000130380338 281938178 /nfs/dbraw/zinc/93/81/78/281938178.db2.gz WBCRNUSCLOFGKA-MRXNPFEDSA-N 1 3 315.461 2.075 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000342766507 288853454 /nfs/dbraw/zinc/85/34/54/288853454.db2.gz VPEUKCKEHAUNAC-DOTOQJQBSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H]1CCCCN1CCNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000372979178 290388027 /nfs/dbraw/zinc/38/80/27/290388027.db2.gz LMFZCUGMSJIZHR-GTPINHCMSA-N 1 3 322.497 2.177 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001423637418 1173459861 /nfs/dbraw/zinc/45/98/61/1173459861.db2.gz JHKQPYZUMYVXKX-GDBMZVCRSA-N 1 3 313.461 2.047 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001368908982 1148763421 /nfs/dbraw/zinc/76/34/21/1148763421.db2.gz YCFUYNPYNLXWIB-QWHCGFSZSA-N 1 3 318.465 2.324 20 0 DEADHO COc1cc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc(OC)c1OC ZINC000262126018 294986223 /nfs/dbraw/zinc/98/62/23/294986223.db2.gz LATJNDSUKUSXDJ-ZIAGYGMSSA-N 1 3 308.422 2.320 20 0 DEADHO C[C@H](C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)N1[C@H](C)CC[C@@H]1C ZINC000413634344 298042508 /nfs/dbraw/zinc/04/25/08/298042508.db2.gz XDWQUWPOJYCARX-BPKGMFCQSA-N 1 3 307.482 2.190 20 0 DEADHO C[C@H](C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)N1[C@H](C)CC[C@@H]1C ZINC000413634344 298042510 /nfs/dbraw/zinc/04/25/10/298042510.db2.gz XDWQUWPOJYCARX-BPKGMFCQSA-N 1 3 307.482 2.190 20 0 DEADHO Cc1ccc(S(=O)(=O)C[C@@H](C)NC2CCC(C[NH3+])CC2)cc1 ZINC000415116232 301659670 /nfs/dbraw/zinc/65/96/70/301659670.db2.gz ZISQHXUYRPAXEZ-QQFBHYJXSA-N 1 3 324.490 2.264 20 0 DEADHO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1(O)CCN(C)CC1 ZINC000269052797 301892101 /nfs/dbraw/zinc/89/21/01/301892101.db2.gz RKPGLESPVHUUKT-INIZCTEOSA-N 1 3 304.434 2.255 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC3(CCCCC3)C2)C1 ZINC000414690540 303365553 /nfs/dbraw/zinc/36/55/53/303365553.db2.gz HRAPDCJWFCOAMF-INIZCTEOSA-N 1 3 307.482 2.230 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCCC3(CCCCC3)C2)C1 ZINC000414690540 303365556 /nfs/dbraw/zinc/36/55/56/303365556.db2.gz HRAPDCJWFCOAMF-INIZCTEOSA-N 1 3 307.482 2.230 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2ccccc2)C1 ZINC000414677267 303366471 /nfs/dbraw/zinc/36/64/71/303366471.db2.gz ITAVQAAJMNWOHH-NVXWUHKLSA-N 1 3 301.434 2.021 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]2c2ccccc2)C1 ZINC000414677267 303366473 /nfs/dbraw/zinc/36/64/73/303366473.db2.gz ITAVQAAJMNWOHH-NVXWUHKLSA-N 1 3 301.434 2.021 20 0 DEADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000567894567 325877653 /nfs/dbraw/zinc/87/76/53/325877653.db2.gz FDPDHEKYLNQXFZ-CYBMUJFWSA-N 1 3 318.442 2.400 20 0 DEADHO CC[NH+](CC)CCCCNC(=O)[C@H]1CNCc2ccccc21 ZINC000572725329 325972512 /nfs/dbraw/zinc/97/25/12/325972512.db2.gz ICPGKJJXWHRUEJ-KRWDZBQOSA-N 1 3 303.450 2.112 20 0 DEADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000573320688 326044558 /nfs/dbraw/zinc/04/45/58/326044558.db2.gz FXZQNLYZGZBNKW-DZKIICNBSA-N 1 3 321.490 2.074 20 0 DEADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2)C1 ZINC000573479439 326061662 /nfs/dbraw/zinc/06/16/62/326061662.db2.gz XJGNJMBRVRPNOS-IRXDYDNUSA-N 1 3 306.450 2.136 20 0 DEADHO CCC[N@@H+](Cc1ccc(C)cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000576009950 326263456 /nfs/dbraw/zinc/26/34/56/326263456.db2.gz SNKCFKXDMOIKQP-SFHVURJKSA-N 1 3 317.477 2.404 20 0 DEADHO CCC[N@H+](Cc1ccc(C)cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000576009950 326263457 /nfs/dbraw/zinc/26/34/57/326263457.db2.gz SNKCFKXDMOIKQP-SFHVURJKSA-N 1 3 317.477 2.404 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000576389729 326289935 /nfs/dbraw/zinc/28/99/35/326289935.db2.gz AMXRUFBHLFCADW-CGTJXYLNSA-N 1 3 320.477 2.424 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC000576389729 326289936 /nfs/dbraw/zinc/28/99/36/326289936.db2.gz AMXRUFBHLFCADW-CGTJXYLNSA-N 1 3 320.477 2.424 20 0 DEADHO Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@H](C)C2=CCN(C)CC2)c1 ZINC000576459702 326295165 /nfs/dbraw/zinc/29/51/65/326295165.db2.gz KZBASBMVMRCWLX-SJLPKXTDSA-N 1 3 318.461 2.283 20 0 DEADHO CN(CC(=O)N1C[C@@H]([NH2+]C/C=C\Cl)C(C)(C)C1)C1CCC1 ZINC001369440953 1148990275 /nfs/dbraw/zinc/99/02/75/1148990275.db2.gz PQNDSPTYQVFTAQ-BMWLXYDHSA-N 1 3 313.873 2.050 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](NCCOc2cccc(C(F)(F)F)n2)C1 ZINC000580095292 332938596 /nfs/dbraw/zinc/93/85/96/332938596.db2.gz OWIJFMRRFLXFET-MNOVXSKESA-N 1 3 303.328 2.339 20 0 DEADHO CN(C)[C@H](CNC(=O)N1CCC(CC[NH3+])CC1)c1ccccc1 ZINC000583029131 337230751 /nfs/dbraw/zinc/23/07/51/337230751.db2.gz BPCKZJSEPGCYKW-QGZVFWFLSA-N 1 3 318.465 2.060 20 0 DEADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc(-n3cncn3)cc2)C1 ZINC000583720463 337317803 /nfs/dbraw/zinc/31/78/03/337317803.db2.gz KIAISUDMYBSRAP-FUHWJXTLSA-N 1 3 311.433 2.183 20 0 DEADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc(-n3cncn3)cc2)C1 ZINC000583720463 337317804 /nfs/dbraw/zinc/31/78/04/337317804.db2.gz KIAISUDMYBSRAP-FUHWJXTLSA-N 1 3 311.433 2.183 20 0 DEADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(-n3cncn3)cc2)C1 ZINC000583720463 337317805 /nfs/dbraw/zinc/31/78/05/337317805.db2.gz KIAISUDMYBSRAP-FUHWJXTLSA-N 1 3 311.433 2.183 20 0 DEADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(-n3cncn3)cc2)C1 ZINC000583720463 337317806 /nfs/dbraw/zinc/31/78/06/337317806.db2.gz KIAISUDMYBSRAP-FUHWJXTLSA-N 1 3 311.433 2.183 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(C2CC2)c1 ZINC000580657349 341893376 /nfs/dbraw/zinc/89/33/76/341893376.db2.gz YQHBORJDSZTQJF-UHFFFAOYSA-N 1 3 303.450 2.129 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C)cc1 ZINC001089037448 782128645 /nfs/dbraw/zinc/12/86/45/782128645.db2.gz FAJGNPSMVQNCSF-NJAFHUGGSA-N 1 3 315.461 2.026 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C)cc1 ZINC001089037448 782128652 /nfs/dbraw/zinc/12/86/52/782128652.db2.gz FAJGNPSMVQNCSF-NJAFHUGGSA-N 1 3 315.461 2.026 20 0 DEADHO CC[C@H](F)CN1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001377449039 1160378390 /nfs/dbraw/zinc/37/83/90/1160378390.db2.gz URMNGPRORUIPSL-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C[C@@H](N)c1ccccc1 ZINC000448225299 533735764 /nfs/dbraw/zinc/73/57/64/533735764.db2.gz MLCRPRWVXCOVJF-BFYDXBDKSA-N 1 3 303.450 2.456 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCC(C)(C)C)C1 ZINC001400237480 1161696220 /nfs/dbraw/zinc/69/62/20/1161696220.db2.gz WWSUGXMJOMUBFW-JKSUJKDBSA-N 1 3 309.498 2.297 20 0 DEADHO COc1ccccc1N1CC[C@H](N[C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422880614 534157366 /nfs/dbraw/zinc/15/73/66/534157366.db2.gz XBBJWNJAULJECK-PMPSAXMXSA-N 1 3 303.450 2.252 20 0 DEADHO CCC[NH+]1CCC(NC(=O)NC[C@@H]2CCCCN2CC)CC1 ZINC000111439816 519845570 /nfs/dbraw/zinc/84/55/70/519845570.db2.gz TXTVCHNDCCNDTB-INIZCTEOSA-N 1 3 310.486 2.034 20 0 DEADHO CCN(C)CCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000163559251 520225531 /nfs/dbraw/zinc/22/55/31/520225531.db2.gz ISARUYNURSELHA-UHFFFAOYSA-N 1 3 317.477 2.357 20 0 DEADHO CC[N@H+](CCNC(=O)NCc1cccc(CN(C)C)c1)C(C)C ZINC000102555589 521059360 /nfs/dbraw/zinc/05/93/60/521059360.db2.gz PPMDWSNZXICFHI-UHFFFAOYSA-N 1 3 320.481 2.278 20 0 DEADHO CC[N@@H+](CCNC(=O)NCc1cccc(CN(C)C)c1)C(C)C ZINC000102555589 521059370 /nfs/dbraw/zinc/05/93/70/521059370.db2.gz PPMDWSNZXICFHI-UHFFFAOYSA-N 1 3 320.481 2.278 20 0 DEADHO COC[C@@H](C)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000163936834 522249629 /nfs/dbraw/zinc/24/96/29/522249629.db2.gz DISZGNKKIDTHMZ-GOSISDBHSA-N 1 3 319.493 2.209 20 0 DEADHO [NH3+]CC[C@H]1CCCN([C@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000443070957 534653921 /nfs/dbraw/zinc/65/39/21/534653921.db2.gz LXWXJEHFFRPTNA-WBVHZDCISA-N 1 3 301.434 2.243 20 0 DEADHO C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000366005008 524045739 /nfs/dbraw/zinc/04/57/39/524045739.db2.gz OLVKAGLCSMJYEJ-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(=O)Nc1cccc(OCCN[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422935472 527076087 /nfs/dbraw/zinc/07/60/87/527076087.db2.gz ANBFVTKWGBOIJJ-PBHICJAKSA-N 1 3 305.422 2.131 20 0 DEADHO CC(=O)Nc1cccc(OCC[NH2+][C@H]2CCCC[C@@H]2CN)c1 ZINC000422935472 527076090 /nfs/dbraw/zinc/07/60/90/527076090.db2.gz ANBFVTKWGBOIJJ-PBHICJAKSA-N 1 3 305.422 2.131 20 0 DEADHO C(COC1CCCCCC1)N[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422755803 527487221 /nfs/dbraw/zinc/48/72/21/527487221.db2.gz HDCXLRZCHIAFAQ-OKZBNKHCSA-N 1 3 310.482 2.473 20 0 DEADHO CC1(C)OCC[C@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000294851802 527811438 /nfs/dbraw/zinc/81/14/38/527811438.db2.gz SMZYGEZFROWDSY-GOSISDBHSA-N 1 3 318.461 2.300 20 0 DEADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2C[C@@H](C)NC[C@@H]2C)c1 ZINC000417401508 527843425 /nfs/dbraw/zinc/84/34/25/527843425.db2.gz LMWILCWOTVXBEJ-CABCVRRESA-N 1 3 318.465 2.030 20 0 DEADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2C[C@@H](C)NC[C@@H]2C)c1 ZINC000417401508 527843432 /nfs/dbraw/zinc/84/34/32/527843432.db2.gz LMWILCWOTVXBEJ-CABCVRRESA-N 1 3 318.465 2.030 20 0 DEADHO CC(C)CN1CCO[C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422773753 528020171 /nfs/dbraw/zinc/02/01/71/528020171.db2.gz UXWUIKVTRSQXPN-FCGDIQPGSA-N 1 3 323.525 2.244 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000294695624 528134592 /nfs/dbraw/zinc/13/45/92/528134592.db2.gz AMZWNGWZERSSNY-XYPHTWIQSA-N 1 3 303.450 2.314 20 0 DEADHO CC1CCC(N2CCN(C(=O)NCC[C@H]3CCC[NH2+]3)CC2)CC1 ZINC000418579798 528193877 /nfs/dbraw/zinc/19/38/77/528193877.db2.gz RXRVJVDQXGIORD-AQFXKWCLSA-N 1 3 322.497 2.034 20 0 DEADHO CCN(CC)[C@H](CNC(=O)NC[C@H]([NH3+])C1CC1)c1ccsc1 ZINC000417008313 528275163 /nfs/dbraw/zinc/27/51/63/528275163.db2.gz MDKBVRBWAJDKDV-LSDHHAIUSA-N 1 3 324.494 2.168 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418237286 528313272 /nfs/dbraw/zinc/31/32/72/528313272.db2.gz NOONOULCNUCWSU-IRXDYDNUSA-N 1 3 324.513 2.186 20 0 DEADHO CC(C)[C@@H](N)C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000427923653 528497528 /nfs/dbraw/zinc/49/75/28/528497528.db2.gz GNJPIFWNAVHCFP-RYQLBKOJSA-N 1 3 317.477 2.387 20 0 DEADHO CC(C)[C@@H](N)C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000427923653 528497534 /nfs/dbraw/zinc/49/75/34/528497534.db2.gz GNJPIFWNAVHCFP-RYQLBKOJSA-N 1 3 317.477 2.387 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000294726660 528554064 /nfs/dbraw/zinc/55/40/64/528554064.db2.gz IOJLLAQBHYFXFU-ZIAGYGMSSA-N 1 3 309.479 2.389 20 0 DEADHO CCCOCc1ccccc1CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422688137 528598576 /nfs/dbraw/zinc/59/85/76/528598576.db2.gz CQRSCMUGELSWFF-JCGIZDLHSA-N 1 3 306.450 2.455 20 0 DEADHO CCCC[C@H](C[NH3+])NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000418462263 528937066 /nfs/dbraw/zinc/93/70/66/528937066.db2.gz JXWYNLZQPWRJNF-OAHLLOKOSA-N 1 3 312.502 2.267 20 0 DEADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000447954882 529012515 /nfs/dbraw/zinc/01/25/15/529012515.db2.gz NBLGEFNPWFQOIP-HOTGVXAUSA-N 1 3 324.513 2.280 20 0 DEADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000447954882 529012519 /nfs/dbraw/zinc/01/25/19/529012519.db2.gz NBLGEFNPWFQOIP-HOTGVXAUSA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCN(Cc2ccc(N[C@H]3CCC[C@H]3C[NH3+])cc2)CC1 ZINC000422924220 529149540 /nfs/dbraw/zinc/14/95/40/529149540.db2.gz TUXRVZWVKXRJFF-HKUYNNGSSA-N 1 3 316.493 2.363 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](C3CCOCC3)C2)CC1 ZINC000377119407 535198974 /nfs/dbraw/zinc/19/89/74/535198974.db2.gz JDVPQHOUYYVAPN-LJQANCHMSA-N 1 3 323.525 2.151 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](C3CCOCC3)C2)CC1 ZINC000377119407 535198983 /nfs/dbraw/zinc/19/89/83/535198983.db2.gz JDVPQHOUYYVAPN-LJQANCHMSA-N 1 3 323.525 2.151 20 0 DEADHO CCC[C@@H]1CNCCN1C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000359230606 535440282 /nfs/dbraw/zinc/44/02/82/535440282.db2.gz XNZXYMHFUXWNST-GOSISDBHSA-N 1 3 324.428 2.461 20 0 DEADHO CC[NH2+]CC1CCN(Cc2cn(C)nc2-c2cccnc2)CC1 ZINC000347185943 535459403 /nfs/dbraw/zinc/45/94/03/535459403.db2.gz YVMSAXZWQRNGMY-UHFFFAOYSA-N 1 3 313.449 2.304 20 0 DEADHO CC[NH2+]CC1CCN(Cc2cn(-c3ccncc3)nc2C)CC1 ZINC000347013423 535459875 /nfs/dbraw/zinc/45/98/75/535459875.db2.gz IFTVIOFTYVWGOE-UHFFFAOYSA-N 1 3 313.449 2.397 20 0 DEADHO CCN(Cc1ccc(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1)C1CC1 ZINC000261912916 535781679 /nfs/dbraw/zinc/78/16/79/535781679.db2.gz YHILOTRYAYGGND-HOCLYGCPSA-N 1 3 315.461 2.480 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309902556 535954084 /nfs/dbraw/zinc/95/40/84/535954084.db2.gz PHERICSAWQQECX-SZMVWBNQSA-N 1 3 317.477 2.388 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309902556 535954090 /nfs/dbraw/zinc/95/40/90/535954090.db2.gz PHERICSAWQQECX-SZMVWBNQSA-N 1 3 317.477 2.388 20 0 DEADHO COc1cc(C)ccc1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000449307223 536652416 /nfs/dbraw/zinc/65/24/16/536652416.db2.gz YUMIEGGJCPABBZ-UHFFFAOYSA-N 1 3 305.466 2.119 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)CCN1Cc1ccsc1 ZINC001368691531 1148579563 /nfs/dbraw/zinc/57/95/63/1148579563.db2.gz JZPRQGNNIFXBCO-ZFWWWQNUSA-N 1 3 309.479 2.169 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)CC[N@@H+]1CCC1CC1 ZINC001368696396 1148586388 /nfs/dbraw/zinc/58/63/88/1148586388.db2.gz QPNSHIZQZUJIFU-HOCLYGCPSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)CC[N@H+]1CCC1CC1 ZINC001368696396 1148586398 /nfs/dbraw/zinc/58/63/98/1148586398.db2.gz QPNSHIZQZUJIFU-HOCLYGCPSA-N 1 3 307.482 2.240 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+][C@H]2CCC[C@H]2CCO)CC1 ZINC001414145212 1152573344 /nfs/dbraw/zinc/57/33/44/1152573344.db2.gz LAWMYDZSTCOTLP-NALMEZQBSA-N 1 3 310.482 2.161 20 0 DEADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]CCc1cccs1 ZINC001379147519 1152581988 /nfs/dbraw/zinc/58/19/88/1152581988.db2.gz NUMBAYMOAOWPKW-CQSZACIVSA-N 1 3 323.506 2.211 20 0 DEADHO C[C@H](CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CC1CC1 ZINC001379211300 1152590888 /nfs/dbraw/zinc/59/08/88/1152590888.db2.gz BTXCSEWGKXDERX-DYVFJYSZSA-N 1 3 313.461 2.045 20 0 DEADHO CC[C@H](C(=O)N1CCC(C[N@H+](CC)CCCF)CC1)N(C)C ZINC001368770451 1148647394 /nfs/dbraw/zinc/64/73/94/1148647394.db2.gz LWUMVEJQOMZDQD-MRXNPFEDSA-N 1 3 315.477 2.247 20 0 DEADHO CC[C@H](C(=O)N1CCC(C[N@@H+](CC)CCCF)CC1)N(C)C ZINC001368770451 1148647401 /nfs/dbraw/zinc/64/74/01/1148647401.db2.gz LWUMVEJQOMZDQD-MRXNPFEDSA-N 1 3 315.477 2.247 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccccc1C)N(C)C ZINC001379549167 1152640391 /nfs/dbraw/zinc/64/03/91/1152640391.db2.gz BRFLIZGQSQABBX-UXLLHSPISA-N 1 3 305.466 2.491 20 0 DEADHO C[NH+](C)CCCC[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000825860830 608505253 /nfs/dbraw/zinc/50/52/53/608505253.db2.gz XXBBCMOFEZAAHR-INIZCTEOSA-N 1 3 314.437 2.176 20 0 DEADHO C[NH+](C)CCCC[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000825860830 608505255 /nfs/dbraw/zinc/50/52/55/608505255.db2.gz XXBBCMOFEZAAHR-INIZCTEOSA-N 1 3 314.437 2.176 20 0 DEADHO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001362492200 1152934808 /nfs/dbraw/zinc/93/48/08/1152934808.db2.gz BNVNUVMHPXZJMH-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001362492200 1152934811 /nfs/dbraw/zinc/93/48/11/1152934811.db2.gz BNVNUVMHPXZJMH-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](NCc1cncs1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001381394665 1153037157 /nfs/dbraw/zinc/03/71/57/1153037157.db2.gz DRGVTXGOCSYNAF-OLZOCXBDSA-N 1 3 324.494 2.000 20 0 DEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C1(N(C)C)CCCC1 ZINC001362945432 1153154081 /nfs/dbraw/zinc/15/40/81/1153154081.db2.gz UAPHHXGKNNFNBN-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](C[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CN(C)C ZINC001363870600 1153681747 /nfs/dbraw/zinc/68/17/47/1153681747.db2.gz HWDNFQQNUSTSJK-VXGBXAGGSA-N 1 3 323.428 2.322 20 0 DEADHO C[C@H](CNC[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C[NH+](C)C ZINC001363870600 1153681753 /nfs/dbraw/zinc/68/17/53/1153681753.db2.gz HWDNFQQNUSTSJK-VXGBXAGGSA-N 1 3 323.428 2.322 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001023632955 625364292 /nfs/dbraw/zinc/36/42/92/625364292.db2.gz SDQVQQNPXZQJBW-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001023632955 625364295 /nfs/dbraw/zinc/36/42/95/625364295.db2.gz SDQVQQNPXZQJBW-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2CCOC23CCOCC3)C1 ZINC000925585883 625414399 /nfs/dbraw/zinc/41/43/99/625414399.db2.gz AVDQYZRDVDNLHF-SJORKVTESA-N 1 3 310.482 2.282 20 0 DEADHO CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@@H]21 ZINC001026424974 625449367 /nfs/dbraw/zinc/44/93/67/625449367.db2.gz ALPBWBZKZHYYJG-RYQLBKOJSA-N 1 3 315.461 2.208 20 0 DEADHO C[C@H](c1ccncc1)N1CCC([NH2+][C@H]2CCCN[C@H]2C)CC1 ZINC000925608317 625449431 /nfs/dbraw/zinc/44/94/31/625449431.db2.gz VWJHKFBMSAOMDL-DAYGRLMNSA-N 1 3 302.466 2.337 20 0 DEADHO CCO[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)C12CCOCC2 ZINC000925642499 625485304 /nfs/dbraw/zinc/48/53/04/625485304.db2.gz UEKJBMJMYOPRLT-ALYAQQCSSA-N 1 3 322.493 2.327 20 0 DEADHO CN1CC[C@]2(CC[N@H+](C[C@@H](O)COc3ccc(Cl)cc3)C2)C1 ZINC000292047054 625510295 /nfs/dbraw/zinc/51/02/95/625510295.db2.gz BDDVCSYLFKQYIV-WBVHZDCISA-N 1 3 324.852 2.107 20 0 DEADHO CN1CC[C@]2(CC[N@@H+](C[C@@H](O)COc3ccc(Cl)cc3)C2)C1 ZINC000292047054 625510298 /nfs/dbraw/zinc/51/02/98/625510298.db2.gz BDDVCSYLFKQYIV-WBVHZDCISA-N 1 3 324.852 2.107 20 0 DEADHO CCNC(=O)C1(C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CCC1 ZINC000925651098 625515278 /nfs/dbraw/zinc/51/52/78/625515278.db2.gz WHJADRMIUYXTIP-CVEARBPZSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H](C[NH2+]CC3CCCC3)C2)C1 ZINC001024156765 625641821 /nfs/dbraw/zinc/64/18/21/625641821.db2.gz SVTUDRUAOSZVFY-WMZOPIPTSA-N 1 3 321.509 2.347 20 0 DEADHO Cc1cccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c1 ZINC001026726139 625686740 /nfs/dbraw/zinc/68/67/40/625686740.db2.gz RCTUTTCODRVZNK-MSOLQXFVSA-N 1 3 315.461 2.027 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021680654 623950737 /nfs/dbraw/zinc/95/07/37/623950737.db2.gz YYVVJBAMYDRYCT-DOTOQJQBSA-N 1 3 316.449 2.231 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021680654 623950740 /nfs/dbraw/zinc/95/07/40/623950740.db2.gz YYVVJBAMYDRYCT-DOTOQJQBSA-N 1 3 316.449 2.231 20 0 DEADHO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000926119494 623991437 /nfs/dbraw/zinc/99/14/37/623991437.db2.gz KQYDLEBNWKGSOV-FPCVCCKLSA-N 1 3 307.482 2.286 20 0 DEADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](N)CC2CC2)cc1 ZINC000319517004 625709699 /nfs/dbraw/zinc/70/96/99/625709699.db2.gz DAMUBPVBHBTIMA-KRWDZBQOSA-N 1 3 303.450 2.272 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CCC2CCCC2)C1)N(C)C ZINC000971779863 624546041 /nfs/dbraw/zinc/54/60/41/624546041.db2.gz UZEPRKAVEZCHHV-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCC2CCCC2)C1)N(C)C ZINC000971779863 624546042 /nfs/dbraw/zinc/54/60/42/624546042.db2.gz UZEPRKAVEZCHHV-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CN(C(=O)NC[C@H]1CCCCN1C1CC1)C1(C[NH3+])CCCCC1 ZINC000891857406 624632158 /nfs/dbraw/zinc/63/21/58/624632158.db2.gz ANPQSEPGQSOLJM-MRXNPFEDSA-N 1 3 322.497 2.306 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001022714057 624867099 /nfs/dbraw/zinc/86/70/99/624867099.db2.gz PUWBWHCOGDOWFO-RYQLBKOJSA-N 1 3 315.461 2.074 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CC3=CCCCC3)C2)C1 ZINC000972332337 624931607 /nfs/dbraw/zinc/93/16/07/624931607.db2.gz BRXUQQCZBXODIJ-SJLPKXTDSA-N 1 3 319.493 2.361 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CC3=CCCCC3)C2)C1 ZINC000972332337 624931611 /nfs/dbraw/zinc/93/16/11/624931611.db2.gz BRXUQQCZBXODIJ-SJLPKXTDSA-N 1 3 319.493 2.361 20 0 DEADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000226876219 624931644 /nfs/dbraw/zinc/93/16/44/624931644.db2.gz YWWYVERDENBNLI-BPLDGKMQSA-N 1 3 312.841 2.152 20 0 DEADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2ccc(Cl)cc2)CC[N@H+]1C ZINC000226876219 624931645 /nfs/dbraw/zinc/93/16/45/624931645.db2.gz YWWYVERDENBNLI-BPLDGKMQSA-N 1 3 312.841 2.152 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000972333175 624931927 /nfs/dbraw/zinc/93/19/27/624931927.db2.gz UMEKESHKJGZRPA-FUHWJXTLSA-N 1 3 315.461 2.204 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000972333175 624931931 /nfs/dbraw/zinc/93/19/31/624931931.db2.gz UMEKESHKJGZRPA-FUHWJXTLSA-N 1 3 315.461 2.204 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC000972333605 624932177 /nfs/dbraw/zinc/93/21/77/624932177.db2.gz YASUEOJMDOTGQK-NVXWUHKLSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC000972333605 624932179 /nfs/dbraw/zinc/93/21/79/624932179.db2.gz YASUEOJMDOTGQK-NVXWUHKLSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2C)C1)N(C)C ZINC000972355569 624939440 /nfs/dbraw/zinc/93/94/40/624939440.db2.gz WRVGNOMQRKVRPD-MSOLQXFVSA-N 1 3 317.477 2.368 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2C)C1)N(C)C ZINC000972355569 624939442 /nfs/dbraw/zinc/93/94/42/624939442.db2.gz WRVGNOMQRKVRPD-MSOLQXFVSA-N 1 3 317.477 2.368 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2cccc(C)c2)C1)N(C)C ZINC000972355559 624939744 /nfs/dbraw/zinc/93/97/44/624939744.db2.gz WMGSEIYFVWBHEB-ROUUACIJSA-N 1 3 317.477 2.368 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(C)c2)C1)N(C)C ZINC000972355559 624939745 /nfs/dbraw/zinc/93/97/45/624939745.db2.gz WMGSEIYFVWBHEB-ROUUACIJSA-N 1 3 317.477 2.368 20 0 DEADHO CN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CCCN(C)C1 ZINC000893065906 625088040 /nfs/dbraw/zinc/08/80/40/625088040.db2.gz PUBLSEPXNMTHOI-LSDHHAIUSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@H](N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)c1ccccc1F ZINC001023086827 625152027 /nfs/dbraw/zinc/15/20/27/625152027.db2.gz YMKMRZOCQRXOEA-LJISPDSOSA-N 1 3 319.424 2.075 20 0 DEADHO C[C@H](N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1ccccc1F ZINC001023086827 625152030 /nfs/dbraw/zinc/15/20/30/625152030.db2.gz YMKMRZOCQRXOEA-LJISPDSOSA-N 1 3 319.424 2.075 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+]Cc2c(C)nn(C(C)C)c2C)CC1 ZINC000892575025 625162576 /nfs/dbraw/zinc/16/25/76/625162576.db2.gz POMPIUQNEPARAW-OAHLLOKOSA-N 1 3 321.513 2.196 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1 ZINC001023125073 625163772 /nfs/dbraw/zinc/16/37/72/625163772.db2.gz MSSBWDLPRVYMMV-NXNVCVFFSA-N 1 3 307.482 2.286 20 0 DEADHO CN(C(=O)NCCCCCCC[NH+](C)C)[C@H]1CCCN(C)C1 ZINC000892339670 625164472 /nfs/dbraw/zinc/16/44/72/625164472.db2.gz ILJRIZXBJBAVAM-INIZCTEOSA-N 1 3 312.502 2.234 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCC(C)C)C1 ZINC001007455579 625249149 /nfs/dbraw/zinc/24/91/49/625249149.db2.gz CKQIOLQZIAKGET-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC(C)C)C1 ZINC001007455579 625249151 /nfs/dbraw/zinc/24/91/51/625249151.db2.gz CKQIOLQZIAKGET-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001027693103 634447250 /nfs/dbraw/zinc/44/72/50/634447250.db2.gz RVHXVMWTSZXKAI-QGZVFWFLSA-N 1 3 303.450 2.305 20 0 DEADHO CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001027693103 634447255 /nfs/dbraw/zinc/44/72/55/634447255.db2.gz RVHXVMWTSZXKAI-QGZVFWFLSA-N 1 3 303.450 2.305 20 0 DEADHO C[C@H](NC(=O)[C@@H](N)CC1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309796470 625751154 /nfs/dbraw/zinc/75/11/54/625751154.db2.gz QISRPCQGVHKLQN-WBAXXEDZSA-N 1 3 315.461 2.141 20 0 DEADHO C[C@H](NC(=O)[C@@H](N)CC1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309796470 625751161 /nfs/dbraw/zinc/75/11/61/625751161.db2.gz QISRPCQGVHKLQN-WBAXXEDZSA-N 1 3 315.461 2.141 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC000999490494 634619940 /nfs/dbraw/zinc/61/99/40/634619940.db2.gz QMFPBDPMVKSRJE-IAGOWNOFSA-N 1 3 321.440 2.247 20 0 DEADHO COC(=O)c1cc(CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)n(C)c1C ZINC000925764742 634768429 /nfs/dbraw/zinc/76/84/29/634768429.db2.gz AXOTUDSPGCTALM-CHWSQXEVSA-N 1 3 307.438 2.116 20 0 DEADHO CC1(C)CCN(CC(=O)N2CCC[C@H]([NH2+]CC3CCC3)C2)C1 ZINC001000198928 634786605 /nfs/dbraw/zinc/78/66/05/634786605.db2.gz MCDYEPAUDNOXSD-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](NCCF)C(C)(C)C1 ZINC000995913829 633142176 /nfs/dbraw/zinc/14/21/76/633142176.db2.gz BTXQDNKFGAXLDS-LSDHHAIUSA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](NCCF)C(C)(C)C1 ZINC000995913829 633142181 /nfs/dbraw/zinc/14/21/81/633142181.db2.gz BTXQDNKFGAXLDS-LSDHHAIUSA-N 1 3 313.461 2.045 20 0 DEADHO CC1(C)CC(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)C1 ZINC000996354957 633246052 /nfs/dbraw/zinc/24/60/52/633246052.db2.gz KBQJEIGZGOODDT-OAHLLOKOSA-N 1 3 318.465 2.215 20 0 DEADHO C[C@@H](C(=O)N1C[C@H](NCCF)C(C)(C)C1)[NH+]1CCCCCC1 ZINC000996381760 633251404 /nfs/dbraw/zinc/25/14/04/633251404.db2.gz YKUHXALLNGDWKZ-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2csc(C)c2)C1)N(C)C ZINC001026916503 633262351 /nfs/dbraw/zinc/26/23/51/633262351.db2.gz ITWYJZNMFMWEOI-GDBMZVCRSA-N 1 3 323.506 2.335 20 0 DEADHO CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974862902 633337952 /nfs/dbraw/zinc/33/79/52/633337952.db2.gz MQWFBSAGXDRIKF-SJORKVTESA-N 1 3 321.509 2.488 20 0 DEADHO CCCC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974862902 633337957 /nfs/dbraw/zinc/33/79/57/633337957.db2.gz MQWFBSAGXDRIKF-SJORKVTESA-N 1 3 321.509 2.488 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001027234785 633505761 /nfs/dbraw/zinc/50/57/61/633505761.db2.gz FBQDCZLRXVWIEJ-IRXDYDNUSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]CCC3CCCC3)CC2)C1 ZINC000997004455 633558907 /nfs/dbraw/zinc/55/89/07/633558907.db2.gz CXXSJFQWKLEAJT-INIZCTEOSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@@H](C(=O)N1CCC([NH2+]CC2=CCCCC2)CC1)N(C)C ZINC000997009388 633561282 /nfs/dbraw/zinc/56/12/82/633561282.db2.gz LDFYEEJYJHCQLV-KRWDZBQOSA-N 1 3 307.482 2.408 20 0 DEADHO CC1(C)C[C@@H](NC[C@H](n2cccn2)C(F)(F)F)C[C@@H]([NH3+])C1 ZINC000925724530 633692021 /nfs/dbraw/zinc/69/20/21/633692021.db2.gz ZLDNJDMNXXOLDU-WOPDTQHZSA-N 1 3 304.360 2.482 20 0 DEADHO O=C(CN1CCCC1)N1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC000997308084 633705320 /nfs/dbraw/zinc/70/53/20/633705320.db2.gz ZTPFZSXLZSKUBL-UHFFFAOYSA-N 1 3 319.424 2.002 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CCC2)C1)C1CC1 ZINC001027444539 633796254 /nfs/dbraw/zinc/79/62/54/633796254.db2.gz SRGAIXVRVVOQTI-SJORKVTESA-N 1 3 307.482 2.050 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC2)C1)C1CC1 ZINC001027444539 633796255 /nfs/dbraw/zinc/79/62/55/633796255.db2.gz SRGAIXVRVVOQTI-SJORKVTESA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CCCC2)C1)N(C)C ZINC001027462603 633827078 /nfs/dbraw/zinc/82/70/78/633827078.db2.gz ZUMZPDRAJVSGSE-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CCCC2)C1)N(C)C ZINC001027462603 633827086 /nfs/dbraw/zinc/82/70/86/633827086.db2.gz ZUMZPDRAJVSGSE-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccsc2)CC1 ZINC000997615316 633901055 /nfs/dbraw/zinc/90/10/55/633901055.db2.gz UCZHFPNSVBLWBM-INIZCTEOSA-N 1 3 321.490 2.171 20 0 DEADHO C[C@H]1C[C@H](C[NH2+]CC2CCC2)CN1C(=O)CN1CCC(C)CC1 ZINC000980739407 635117551 /nfs/dbraw/zinc/11/75/51/635117551.db2.gz QKIIIDDVNQKXTQ-FUHWJXTLSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCCN(CC[C@H](C)F)CC1 ZINC000981148678 635332327 /nfs/dbraw/zinc/33/23/27/635332327.db2.gz LDGYZJRMGWPUFN-HOTGVXAUSA-N 1 3 313.461 2.142 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCCN(CC[C@H](C)F)CC1 ZINC000981148678 635332331 /nfs/dbraw/zinc/33/23/31/635332331.db2.gz LDGYZJRMGWPUFN-HOTGVXAUSA-N 1 3 313.461 2.142 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@@H]([NH2+]CC2CC2)C1 ZINC001000991088 635383158 /nfs/dbraw/zinc/38/31/58/635383158.db2.gz FVBXNTUGEVXREL-QGZVFWFLSA-N 1 3 315.461 2.352 20 0 DEADHO CCC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001000991623 635383373 /nfs/dbraw/zinc/38/33/73/635383373.db2.gz JAEMJGFOBMDNBC-MRXNPFEDSA-N 1 3 303.450 2.352 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCC1CC[NH+](CC2CCC2)CC1 ZINC001001393275 635475992 /nfs/dbraw/zinc/47/59/92/635475992.db2.gz NTWFVUVMHNHPEI-GOSISDBHSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC1CC[NH+](C[C@H](C)CC)CC1 ZINC001002955306 635860769 /nfs/dbraw/zinc/86/07/69/635860769.db2.gz KFMPNMIABZRPAB-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[C@@H](N)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000236696989 635991390 /nfs/dbraw/zinc/99/13/90/635991390.db2.gz LWAFEFHYTGDFSC-GVDBMIGSSA-N 1 3 309.498 2.473 20 0 DEADHO CC(C)C[C@@H](N)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000236696989 635991394 /nfs/dbraw/zinc/99/13/94/635991394.db2.gz LWAFEFHYTGDFSC-GVDBMIGSSA-N 1 3 309.498 2.473 20 0 DEADHO CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)N3CCCC3)C[C@@]2(C)C1 ZINC000982428260 636018560 /nfs/dbraw/zinc/01/85/60/636018560.db2.gz GRSDAACVVSSKTI-KDURUIRLSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)N3CCCC3)C[C@@]2(C)C1 ZINC000982428260 636018562 /nfs/dbraw/zinc/01/85/62/636018562.db2.gz GRSDAACVVSSKTI-KDURUIRLSA-N 1 3 321.509 2.441 20 0 DEADHO CCc1ccc([C@H](CNC(=O)CCCCC[NH3+])N(C)C)cc1 ZINC000236996672 636228544 /nfs/dbraw/zinc/22/85/44/636228544.db2.gz VBHLFBABEZGQPT-KRWDZBQOSA-N 1 3 305.466 2.487 20 0 DEADHO CC(C)[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982553525 636261155 /nfs/dbraw/zinc/26/11/55/636261155.db2.gz NBMSHIDONLZVGI-NXHRZFHOSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[N@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982553525 636261157 /nfs/dbraw/zinc/26/11/57/636261157.db2.gz NBMSHIDONLZVGI-NXHRZFHOSA-N 1 3 307.482 2.050 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001004371573 636400360 /nfs/dbraw/zinc/40/03/60/636400360.db2.gz PHYJYVZXKSTYEF-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001004371573 636400365 /nfs/dbraw/zinc/40/03/65/636400365.db2.gz PHYJYVZXKSTYEF-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CC3)C[C@H]2CC1)N(C)C ZINC000946633026 636496659 /nfs/dbraw/zinc/49/66/59/636496659.db2.gz CPYNXCUTCYKGLX-KSZLIROESA-N 1 3 321.509 2.153 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC3CC3)C[C@H]2CC1)N(C)C ZINC000946633026 636496663 /nfs/dbraw/zinc/49/66/63/636496663.db2.gz CPYNXCUTCYKGLX-KSZLIROESA-N 1 3 321.509 2.153 20 0 DEADHO CC(=O)OC[C@H](C)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000894226525 636498729 /nfs/dbraw/zinc/49/87/29/636498729.db2.gz JWUQINDSFPGXIB-MAUKXSAKSA-N 1 3 304.434 2.440 20 0 DEADHO CC(=O)OC[C@H](C)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000894226525 636498731 /nfs/dbraw/zinc/49/87/31/636498731.db2.gz JWUQINDSFPGXIB-MAUKXSAKSA-N 1 3 304.434 2.440 20 0 DEADHO CC(=O)OC[C@@H](C)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000894226524 636499033 /nfs/dbraw/zinc/49/90/33/636499033.db2.gz JWUQINDSFPGXIB-CRAIPNDOSA-N 1 3 304.434 2.440 20 0 DEADHO CC(=O)OC[C@@H](C)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000894226524 636499035 /nfs/dbraw/zinc/49/90/35/636499035.db2.gz JWUQINDSFPGXIB-CRAIPNDOSA-N 1 3 304.434 2.440 20 0 DEADHO O=C(CN1CCCC1)N1CCC([C@@H]2CCC[N@@H+]2CC2CC2)CC1 ZINC001004617186 636503329 /nfs/dbraw/zinc/50/33/29/636503329.db2.gz PLXHTZBNTPOENU-SFHVURJKSA-N 1 3 319.493 2.195 20 0 DEADHO O=C(CN1CCCC1)N1CCC([C@@H]2CCC[N@H+]2CC2CC2)CC1 ZINC001004617186 636503336 /nfs/dbraw/zinc/50/33/36/636503336.db2.gz PLXHTZBNTPOENU-SFHVURJKSA-N 1 3 319.493 2.195 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC=C(C)C)C[C@H]2CC1)N(C)C ZINC000946642509 636517569 /nfs/dbraw/zinc/51/75/69/636517569.db2.gz MSTAKJBUVWKBND-FGTMMUONSA-N 1 3 321.509 2.463 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CC=C(C)C)C[C@H]2CC1)N(C)C ZINC000946642509 636517572 /nfs/dbraw/zinc/51/75/72/636517572.db2.gz MSTAKJBUVWKBND-FGTMMUONSA-N 1 3 321.509 2.463 20 0 DEADHO CN(CCC[NH3+])C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000923292671 637094710 /nfs/dbraw/zinc/09/47/10/637094710.db2.gz YVVACWJRFSLNTH-HNNXBMFYSA-N 1 3 311.429 2.436 20 0 DEADHO CN(CCOc1cccc(Cl)c1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923302043 637100960 /nfs/dbraw/zinc/10/09/60/637100960.db2.gz PPUFYGBBGBVAIM-HNNXBMFYSA-N 1 3 310.825 2.029 20 0 DEADHO C[N@H+](CCc1ccccc1)[C@H]1CCN(c2ccncc2CO)C1 ZINC000894550172 637103253 /nfs/dbraw/zinc/10/32/53/637103253.db2.gz VZJBJQIIBVOWEV-SFHVURJKSA-N 1 3 311.429 2.327 20 0 DEADHO C[N@@H+](CCc1ccccc1)[C@H]1CCN(c2ccncc2CO)C1 ZINC000894550172 637103258 /nfs/dbraw/zinc/10/32/58/637103258.db2.gz VZJBJQIIBVOWEV-SFHVURJKSA-N 1 3 311.429 2.327 20 0 DEADHO CCc1nc2c(s1)[C@H](N(C)C[C@H]1CC3(C[NH2+]C3)CO1)CCC2 ZINC000923371028 637141172 /nfs/dbraw/zinc/14/11/72/637141172.db2.gz NXYXWVJKKLEECV-TZMCWYRMSA-N 1 3 321.490 2.393 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000923388675 637156218 /nfs/dbraw/zinc/15/62/18/637156218.db2.gz SZQGHWHGKDZBIY-SCTDSRPQSA-N 1 3 318.461 2.104 20 0 DEADHO CSc1cccc(NC(=O)[C@@H](C)N2CC[C@H](CC[NH3+])C2)c1 ZINC000923486935 637201658 /nfs/dbraw/zinc/20/16/58/637201658.db2.gz VTWXFKGIXSCUAK-OLZOCXBDSA-N 1 3 307.463 2.406 20 0 DEADHO C[C@H](NC(=O)[C@H](C)N1CC[C@H](C[NH3+])[C@H](C)C1)c1ccccc1 ZINC000923502374 637213332 /nfs/dbraw/zinc/21/33/32/637213332.db2.gz BLNISIPDVAOYOV-WBTNSWJXSA-N 1 3 303.450 2.169 20 0 DEADHO CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923501494 637219042 /nfs/dbraw/zinc/21/90/42/637219042.db2.gz SNIARRUPGCNLMC-JKIFEVAISA-N 1 3 319.449 2.329 20 0 DEADHO C[C@@H]1CN(CC(=O)N[C@H]2CCCc3ccccc32)CC[C@@H]1C[NH3+] ZINC000923504205 637219967 /nfs/dbraw/zinc/21/99/67/637219967.db2.gz PXFOBMADOXXZNJ-KYJSFNMBSA-N 1 3 315.461 2.097 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)[C@H](C)C1 ZINC000947979664 637234098 /nfs/dbraw/zinc/23/40/98/637234098.db2.gz JPZYYEFXMCSQPQ-CZUORRHYSA-N 1 3 318.465 2.420 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)[C@H](C)C1 ZINC000947979664 637234101 /nfs/dbraw/zinc/23/41/01/637234101.db2.gz JPZYYEFXMCSQPQ-CZUORRHYSA-N 1 3 318.465 2.420 20 0 DEADHO c1ccc2c(c1)[C@@H](C[C@H]1COCCN1)CN2CCC[NH2+]C1CC1 ZINC000923546472 637239855 /nfs/dbraw/zinc/23/98/55/637239855.db2.gz VEMKOZPXOJEFGD-RDJZCZTQSA-N 1 3 315.461 2.111 20 0 DEADHO C[C@@H]1[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)CCN1C ZINC000928442242 637242480 /nfs/dbraw/zinc/24/24/80/637242480.db2.gz ADVHHXLXWQGJNW-RHSMWYFYSA-N 1 3 301.434 2.105 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC2CC2)CC1 ZINC001029172911 637291408 /nfs/dbraw/zinc/29/14/08/637291408.db2.gz JUKFPMWYHJKUON-CRAIPNDOSA-N 1 3 321.509 2.488 20 0 DEADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(OC)o3)CC2)CC1 ZINC000894978167 637356023 /nfs/dbraw/zinc/35/60/23/637356023.db2.gz LDIPDLPTNHRBFN-UHFFFAOYSA-N 1 3 321.465 2.280 20 0 DEADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(OC)o3)CC2)CC1 ZINC000894978167 637356032 /nfs/dbraw/zinc/35/60/32/637356032.db2.gz LDIPDLPTNHRBFN-UHFFFAOYSA-N 1 3 321.465 2.280 20 0 DEADHO CCN1CCC([N@H+]2CCCN(Cc3ccc(OC)o3)CC2)CC1 ZINC000894978167 637356036 /nfs/dbraw/zinc/35/60/36/637356036.db2.gz LDIPDLPTNHRBFN-UHFFFAOYSA-N 1 3 321.465 2.280 20 0 DEADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1cnc[nH]1 ZINC000894993950 637359743 /nfs/dbraw/zinc/35/97/43/637359743.db2.gz MRVJSJMLRNRSAB-SJLPKXTDSA-N 1 3 314.433 2.036 20 0 DEADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1cnc[nH]1 ZINC000894993950 637359747 /nfs/dbraw/zinc/35/97/47/637359747.db2.gz MRVJSJMLRNRSAB-SJLPKXTDSA-N 1 3 314.433 2.036 20 0 DEADHO COc1cccc(NC(=O)C[C@@H](C)NCC[C@@H](C)[NH+](C)C)c1 ZINC000895294488 637893584 /nfs/dbraw/zinc/89/35/84/637893584.db2.gz QHPDXPLHJJPBPF-ZIAGYGMSSA-N 1 3 307.438 2.342 20 0 DEADHO COc1cccc(NC(=O)C[C@@H](C)[NH2+]CC[C@@H](C)N(C)C)c1 ZINC000895294488 637893588 /nfs/dbraw/zinc/89/35/88/637893588.db2.gz QHPDXPLHJJPBPF-ZIAGYGMSSA-N 1 3 307.438 2.342 20 0 DEADHO COc1ccc(NC(=O)C[C@@H](C)NCC[C@H](C)[NH+](C)C)cc1 ZINC000895292980 637895812 /nfs/dbraw/zinc/89/58/12/637895812.db2.gz FDTSKLFCHRWSBO-KGLIPLIRSA-N 1 3 307.438 2.342 20 0 DEADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[C@H](C)N(C)C)cc1 ZINC000895292980 637895819 /nfs/dbraw/zinc/89/58/19/637895819.db2.gz FDTSKLFCHRWSBO-KGLIPLIRSA-N 1 3 307.438 2.342 20 0 DEADHO C[C@H]1CC[NH2+]C[C@@H]1NC1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000841059033 650417578 /nfs/dbraw/zinc/41/75/78/650417578.db2.gz JVQKAXSNTSOXJK-KXBFYZLASA-N 1 3 316.493 2.309 20 0 DEADHO C[C@@H]([NH2+]CCCN1CCOC1=O)[C@@H]1CCCN(C2CCC2)C1 ZINC000754464985 639432633 /nfs/dbraw/zinc/43/26/33/639432633.db2.gz PDMLYTISMVWKRG-HUUCEWRRSA-N 1 3 309.454 2.071 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CCCC2)C1)N(C)C ZINC001029843737 639540745 /nfs/dbraw/zinc/54/07/45/639540745.db2.gz ONBMYUCREILBCC-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CCCC2)C1)N(C)C ZINC001029843737 639540747 /nfs/dbraw/zinc/54/07/47/639540747.db2.gz ONBMYUCREILBCC-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H](C(=O)N1CCC(N(C)CCF)CC1)[NH+]1CCCCCC1 ZINC000985682220 639580299 /nfs/dbraw/zinc/58/02/99/639580299.db2.gz ISKQWCZBKYMLED-OAHLLOKOSA-N 1 3 313.461 2.143 20 0 DEADHO CN(CC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)CC(C)(C)C ZINC000928829477 639598050 /nfs/dbraw/zinc/59/80/50/639598050.db2.gz FSLSVGZNJUIDCP-INIZCTEOSA-N 1 3 320.481 2.169 20 0 DEADHO C[C@H](NC1COC(C)(C)OC1)c1cccc(OCC[NH+](C)C)c1 ZINC000757698787 639870672 /nfs/dbraw/zinc/87/06/72/639870672.db2.gz RQDNEJOMCKEMTJ-AWEZNQCLSA-N 1 3 322.449 2.429 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CCC2CC2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987255264 640144111 /nfs/dbraw/zinc/14/41/11/640144111.db2.gz NWJGCQRGYMFFLW-RDJZCZTQSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C)c1 ZINC000987515837 640207615 /nfs/dbraw/zinc/20/76/15/640207615.db2.gz CKSSQCFFMNZVDO-AEFFLSMTSA-N 1 3 315.461 2.170 20 0 DEADHO C[C@@H]1[C@H]([NH2+]Cc2ccccc2F)CCN1C(=O)CN1CCCC1 ZINC000987520306 640211556 /nfs/dbraw/zinc/21/15/56/640211556.db2.gz QZXCWFOGYFSABQ-RHSMWYFYSA-N 1 3 319.424 2.001 20 0 DEADHO CCCN(C(=O)C[C@H](N)c1cc(C)nc(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000841848037 650578736 /nfs/dbraw/zinc/57/87/36/650578736.db2.gz RLIISZILKSZRPW-KGLIPLIRSA-N 1 3 324.856 2.034 20 0 DEADHO CC[C@](C)([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000841009399 640617290 /nfs/dbraw/zinc/61/72/90/640617290.db2.gz BXSKATOAVNQLJA-YJBOKZPZSA-N 1 3 303.450 2.099 20 0 DEADHO CN(C)CCN(C(=O)NC[C@H]1CCCC[N@H+](C)C1)C1CCCC1 ZINC000897547747 640777117 /nfs/dbraw/zinc/77/71/17/640777117.db2.gz GDZREBXYTMYKAJ-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO CN(C)CCN(C(=O)NC[C@H]1CCCC[N@@H+](C)C1)C1CCCC1 ZINC000897547747 640777122 /nfs/dbraw/zinc/77/71/22/640777122.db2.gz GDZREBXYTMYKAJ-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC2CCC2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989449045 640992606 /nfs/dbraw/zinc/99/26/06/640992606.db2.gz CAWMTNLIMNFKEE-GDBMZVCRSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC2CCCC2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989449235 640994150 /nfs/dbraw/zinc/99/41/50/640994150.db2.gz FNBNUJMUHHQJSY-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CC2CCCC2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989449236 640994253 /nfs/dbraw/zinc/99/42/53/640994253.db2.gz FNBNUJMUHHQJSY-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)CN1C(=O)Cc1c[nH]cn1 ZINC000989493338 641123536 /nfs/dbraw/zinc/12/35/36/641123536.db2.gz SIULBLOJEGBQOY-XJKSGUPXSA-N 1 3 316.449 2.112 20 0 DEADHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(S(C)(=O)=O)cc1 ZINC000322567407 641195063 /nfs/dbraw/zinc/19/50/63/641195063.db2.gz FFRDUNVEPNQHKK-WWTUQBGBSA-N 1 3 322.474 2.366 20 0 DEADHO CCCCN1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000989739352 641216950 /nfs/dbraw/zinc/21/69/50/641216950.db2.gz SWLBMONIWJKFIX-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)[NH+]1CCC(N2CCN(CC3(O)CCCCC3)CC2)CC1 ZINC000771122341 641470005 /nfs/dbraw/zinc/47/00/05/641470005.db2.gz UTNCPEQQGSNSQT-UHFFFAOYSA-N 1 3 323.525 2.172 20 0 DEADHO COc1cccc(N2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)c1 ZINC000774170052 641871832 /nfs/dbraw/zinc/87/18/32/641871832.db2.gz PVQRKRBZPTYJLM-MGNMYUMUSA-N 1 3 315.461 2.489 20 0 DEADHO COc1cccc(N2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC000774170052 641871836 /nfs/dbraw/zinc/87/18/36/641871836.db2.gz PVQRKRBZPTYJLM-MGNMYUMUSA-N 1 3 315.461 2.489 20 0 DEADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc2ncsc2c1 ZINC000776816836 642209981 /nfs/dbraw/zinc/20/99/81/642209981.db2.gz RQTIIRZZDXJIOL-TZMCWYRMSA-N 1 3 305.447 2.404 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900986226 642537575 /nfs/dbraw/zinc/53/75/75/642537575.db2.gz ZPLJQKGOEUEVET-NCOADZHNSA-N 1 3 305.466 2.089 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900986226 642537576 /nfs/dbraw/zinc/53/75/76/642537576.db2.gz ZPLJQKGOEUEVET-NCOADZHNSA-N 1 3 305.466 2.089 20 0 DEADHO CC[N@H+](CCC1CCN(C(=O)Cc2c[nH]cn2)CC1)CC1CC1 ZINC000901304569 642618788 /nfs/dbraw/zinc/61/87/88/642618788.db2.gz HLRZYIDGIJZGSH-UHFFFAOYSA-N 1 3 318.465 2.313 20 0 DEADHO CC[N@@H+](CCC1CCN(C(=O)Cc2c[nH]cn2)CC1)CC1CC1 ZINC000901304569 642618791 /nfs/dbraw/zinc/61/87/91/642618791.db2.gz HLRZYIDGIJZGSH-UHFFFAOYSA-N 1 3 318.465 2.313 20 0 DEADHO CC1(C)C[NH2+]CC[C@@H](NCCN2CCc3sccc3C2)C1 ZINC000902317949 642989029 /nfs/dbraw/zinc/98/90/29/642989029.db2.gz LXQBXUVZRYZVAQ-OAHLLOKOSA-N 1 3 307.507 2.474 20 0 DEADHO Cc1cccc(C)c1OC[C@H](O)CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902349675 643004033 /nfs/dbraw/zinc/00/40/33/643004033.db2.gz QAKVMIWEYLSODE-DLBZAZTESA-N 1 3 320.477 2.411 20 0 DEADHO CC1(C)C[NH2+]CC[C@H](N[C@H](CO)Cc2c[nH]c3ccccc23)C1 ZINC000902358769 643018983 /nfs/dbraw/zinc/01/89/83/643018983.db2.gz DBQYXTFUNYZUNS-HOTGVXAUSA-N 1 3 315.461 2.439 20 0 DEADHO CC1(C)C[NH2+]CC[C@@H](NC[C@@H]2CCCN2CC(F)(F)F)C1 ZINC000902404060 643030765 /nfs/dbraw/zinc/03/07/65/643030765.db2.gz ITFAZQCEWDOHKL-OLZOCXBDSA-N 1 3 307.404 2.381 20 0 DEADHO CC1(C)C[NH2+]CC[C@H](NCCn2ccc(C(F)(F)F)n2)C1 ZINC000902402697 643030786 /nfs/dbraw/zinc/03/07/86/643030786.db2.gz BMTSPKNIQARRMT-NSHDSACASA-N 1 3 304.360 2.270 20 0 DEADHO CN(C)c1ccc(N2CCC([NH2+][C@@H]3C[C@@H]4CC[C@H]3N4)CC2)cc1 ZINC000902471994 643051517 /nfs/dbraw/zinc/05/15/17/643051517.db2.gz WHNVKERZPKJYIC-KFKAGJAMSA-N 1 3 314.477 2.204 20 0 DEADHO C[C@H](C[C@H]1COCC[NH2+]1)N[C@@H](C)c1cnn(CC2CCC2)c1 ZINC000902502395 643053721 /nfs/dbraw/zinc/05/37/21/643053721.db2.gz FAZAQEUJGFGVST-KEYYUXOJSA-N 1 3 306.454 2.101 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C[C@@H](C)O1 ZINC000902872184 643166709 /nfs/dbraw/zinc/16/67/09/643166709.db2.gz XMSIBCIDQXYXOP-HQPSDWMKSA-N 1 3 322.493 2.279 20 0 DEADHO CCOc1ccc(NC(=O)[C@@H](C)N2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000903496145 643371726 /nfs/dbraw/zinc/37/17/26/643371726.db2.gz HLTRVHAYTZRHFU-RBSFLKMASA-N 1 3 319.449 2.329 20 0 DEADHO Cc1ccccc1OCCN(C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903719096 643437906 /nfs/dbraw/zinc/43/79/06/643437906.db2.gz VGHHXOUPLQGNSH-FUHWJXTLSA-N 1 3 304.434 2.074 20 0 DEADHO COc1ccc(CN(C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903719297 643437932 /nfs/dbraw/zinc/43/79/32/643437932.db2.gz XRUVLFDYFIKDRU-KRWDZBQOSA-N 1 3 304.434 2.286 20 0 DEADHO C[C@@H]1CCCN(C(=O)C2CCN(C[C@@H]3CCCC[NH2+]C3)CC2)C1 ZINC000903723619 643439927 /nfs/dbraw/zinc/43/99/27/643439927.db2.gz XBRBCMANJAEDFG-IAGOWNOFSA-N 1 3 321.509 2.347 20 0 DEADHO c1cc(C2CCN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)no1 ZINC000903766365 643453350 /nfs/dbraw/zinc/45/33/50/643453350.db2.gz PQRNBNBJWPCCTK-HNNXBMFYSA-N 1 3 305.422 2.013 20 0 DEADHO CCOC(=O)[C@H](CCc1ccccc1)N1CC[C@H](CC[NH3+])C1 ZINC000903788373 643462291 /nfs/dbraw/zinc/46/22/91/643462291.db2.gz JCLIMFLVWRHUSW-IRXDYDNUSA-N 1 3 304.434 2.222 20 0 DEADHO C[N@H+](CCOc1ccc(F)cc1Cl)C1(CN)CCOCC1 ZINC000903808596 643469992 /nfs/dbraw/zinc/46/99/92/643469992.db2.gz ONUCMNXFVYAOQM-UHFFFAOYSA-N 1 3 316.804 2.298 20 0 DEADHO C[N@@H+](CCOc1ccc(F)cc1Cl)C1(CN)CCOCC1 ZINC000903808596 643469998 /nfs/dbraw/zinc/46/99/98/643469998.db2.gz ONUCMNXFVYAOQM-UHFFFAOYSA-N 1 3 316.804 2.298 20 0 DEADHO C[C@@H]1CN(CCC2CC[NH2+]CC2)C[C@H](C)N1CC(F)(F)F ZINC000903874533 643492982 /nfs/dbraw/zinc/49/29/82/643492982.db2.gz CNLAAKYUHDJNFI-BETUJISGSA-N 1 3 307.404 2.333 20 0 DEADHO CN(Cc1cn(C)nc1C(F)(F)F)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903898698 643500476 /nfs/dbraw/zinc/50/04/76/643500476.db2.gz NLCVSDLYGFSOHX-VGPLMAKISA-N 1 3 316.371 2.401 20 0 DEADHO Cn1cc([C@@H]2CSCCN2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000903913126 643506992 /nfs/dbraw/zinc/50/69/92/643506992.db2.gz NHZRBUXKKJPVEH-WDVRLDOZSA-N 1 3 306.479 2.041 20 0 DEADHO CCc1noc(-c2ccc(CCNC[C@@H]([NH3+])CC(F)F)cc2)n1 ZINC000903923537 643509044 /nfs/dbraw/zinc/50/90/44/643509044.db2.gz WMKIAJKCSHYXIZ-ZDUSSCGKSA-N 1 3 324.375 2.414 20 0 DEADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCC[C@H](C2CCC2)C1 ZINC000903933589 643514252 /nfs/dbraw/zinc/51/42/52/643514252.db2.gz SLFHGUQIAWRDQH-JKSUJKDBSA-N 1 3 303.454 2.215 20 0 DEADHO CC(C)(C)CC[C@H]([NH3+])CN1CCC[C@@H](N2CCOCC2)CC1 ZINC000904376558 643654326 /nfs/dbraw/zinc/65/43/26/643654326.db2.gz BVQCBFWCDOUWOL-DLBZAZTESA-N 1 3 311.514 2.327 20 0 DEADHO COc1cc(OC)c(CN2CC[C@@H](C[NH3+])[C@@H](C)C2)c(OC)c1 ZINC000904411519 643662435 /nfs/dbraw/zinc/66/24/35/643662435.db2.gz LKCGIZSBBRDCQO-STQMWFEESA-N 1 3 308.422 2.129 20 0 DEADHO [NH3+]Cc1ccccc1NC(=O)N1CCN(C2CCCC2)CC1 ZINC000904663811 643716864 /nfs/dbraw/zinc/71/68/64/643716864.db2.gz CZHWUAJMEKJYDR-UHFFFAOYSA-N 1 3 302.422 2.237 20 0 DEADHO O[C@@H](CCOCc1ccccc1)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000905052032 643771733 /nfs/dbraw/zinc/77/17/33/643771733.db2.gz ZSWYRCWWAXAAIC-QYZOEREBSA-N 1 3 318.461 2.171 20 0 DEADHO O[C@@H](CCOCc1ccccc1)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000905052032 643771736 /nfs/dbraw/zinc/77/17/36/643771736.db2.gz ZSWYRCWWAXAAIC-QYZOEREBSA-N 1 3 318.461 2.171 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@H](O)CC2(O)CCCCC2)C1 ZINC000905069445 643787167 /nfs/dbraw/zinc/78/71/67/643787167.db2.gz DUQOGEIAULKIGE-DLBZAZTESA-N 1 3 312.498 2.143 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC[C@H](O)CC2(O)CCCCC2)C1 ZINC000905069445 643787168 /nfs/dbraw/zinc/78/71/68/643787168.db2.gz DUQOGEIAULKIGE-DLBZAZTESA-N 1 3 312.498 2.143 20 0 DEADHO O[C@H](CCC1(O)CCC1)CNC1CC[NH+](C2CCCC2)CC1 ZINC000905156144 643801589 /nfs/dbraw/zinc/80/15/89/643801589.db2.gz RWDPMYZHCQSOHY-QGZVFWFLSA-N 1 3 310.482 2.039 20 0 DEADHO O[C@H](CCC1(O)CCC1)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000905156144 643801594 /nfs/dbraw/zinc/80/15/94/643801594.db2.gz RWDPMYZHCQSOHY-QGZVFWFLSA-N 1 3 310.482 2.039 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@H](O)CCC2(O)CCC2)C1 ZINC000905181695 643815875 /nfs/dbraw/zinc/81/58/75/643815875.db2.gz ORZBNAJMOKYHJF-IAGOWNOFSA-N 1 3 312.498 2.000 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@H](O)CCC2(O)CCC2)C1 ZINC000905181695 643815881 /nfs/dbraw/zinc/81/58/81/643815881.db2.gz ORZBNAJMOKYHJF-IAGOWNOFSA-N 1 3 312.498 2.000 20 0 DEADHO C[NH+](C)CCCOC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000791941220 644052317 /nfs/dbraw/zinc/05/23/17/644052317.db2.gz ZUYGPRFQKUFIHK-UHFFFAOYSA-N 1 3 304.434 2.394 20 0 DEADHO C[N@H+](CCCNC[C@@H](O)CCC1(O)CCC1)C1CCCCC1 ZINC000905904979 644079051 /nfs/dbraw/zinc/07/90/51/644079051.db2.gz MRSKOOMBEVLYLA-KRWDZBQOSA-N 1 3 312.498 2.287 20 0 DEADHO C[N@@H+](CCCNC[C@@H](O)CCC1(O)CCC1)C1CCCCC1 ZINC000905904979 644079052 /nfs/dbraw/zinc/07/90/52/644079052.db2.gz MRSKOOMBEVLYLA-KRWDZBQOSA-N 1 3 312.498 2.287 20 0 DEADHO CCN1CCN(c2ccc(NC(=O)[C@H]([NH3+])CC(C)C)cc2)CC1 ZINC000906076947 644137790 /nfs/dbraw/zinc/13/77/90/644137790.db2.gz DYNWOVHFZGSPFS-QGZVFWFLSA-N 1 3 318.465 2.140 20 0 DEADHO CC(C)(CNC(=O)C(C)(C)N1CCCCC1)C[NH+]1CCCC1 ZINC000907709183 644619587 /nfs/dbraw/zinc/61/95/87/644619587.db2.gz KXUXIBQFNMZGCD-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@H]1CN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCN(C2CCC2)C1 ZINC000908356825 644844212 /nfs/dbraw/zinc/84/42/12/644844212.db2.gz BQXZXWWDZIWNLE-JQHSSLGASA-N 1 3 319.493 2.336 20 0 DEADHO C[C@@H]1CN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCN(C2CCC2)C1 ZINC000908356825 644844213 /nfs/dbraw/zinc/84/42/13/644844213.db2.gz BQXZXWWDZIWNLE-JQHSSLGASA-N 1 3 319.493 2.336 20 0 DEADHO CN(C)c1ccc(N2CCC([NH2+]CCCNC3CC3)CC2)cc1 ZINC000841091384 645234203 /nfs/dbraw/zinc/23/42/03/645234203.db2.gz WQYCYNQBTAFVFJ-UHFFFAOYSA-N 1 3 316.493 2.453 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)NCCCCCCC[NH+](C)C ZINC000912305019 646019220 /nfs/dbraw/zinc/01/92/20/646019220.db2.gz YMYWHYPZUOMEJH-MRXNPFEDSA-N 1 3 312.502 2.282 20 0 DEADHO CCC[N@H+](CC)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810466608 646366206 /nfs/dbraw/zinc/36/62/06/646366206.db2.gz VLIXFJREMAKELX-MRXNPFEDSA-N 1 3 301.450 2.047 20 0 DEADHO CCC[N@@H+](CC)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810466608 646366209 /nfs/dbraw/zinc/36/62/09/646366209.db2.gz VLIXFJREMAKELX-MRXNPFEDSA-N 1 3 301.450 2.047 20 0 DEADHO CC(C)[N@@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC000992014810 646828847 /nfs/dbraw/zinc/82/88/47/646828847.db2.gz SGCVRFYVYRJANO-ZIFCJYIRSA-N 1 3 319.493 2.382 20 0 DEADHO CC(C)[N@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC000992014810 646828850 /nfs/dbraw/zinc/82/88/50/646828850.db2.gz SGCVRFYVYRJANO-ZIFCJYIRSA-N 1 3 319.493 2.382 20 0 DEADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCCc2cnn(C)n2)CC1 ZINC000815638784 647037651 /nfs/dbraw/zinc/03/76/51/647037651.db2.gz FKWPGNYTQNXXEK-MAUKXSAKSA-N 1 3 319.497 2.380 20 0 DEADHO CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC000948057403 647127898 /nfs/dbraw/zinc/12/78/98/647127898.db2.gz WBUVIOKJNBGYCB-WMLDXEAASA-N 1 3 303.450 2.351 20 0 DEADHO CC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC000948057403 647127900 /nfs/dbraw/zinc/12/79/00/647127900.db2.gz WBUVIOKJNBGYCB-WMLDXEAASA-N 1 3 303.450 2.351 20 0 DEADHO C[C@@H]1C[C@H](C)N(Cc2ccc3c(c2)CCC(=O)N3C)C[C@H]1C[NH3+] ZINC000817866264 647369126 /nfs/dbraw/zinc/36/91/26/647369126.db2.gz WLBIIUWCHFVCLX-JKIFEVAISA-N 1 3 315.461 2.401 20 0 DEADHO COc1cccc([C@H](O)CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000817905625 647378287 /nfs/dbraw/zinc/37/82/87/647378287.db2.gz QLMRBNXQLYEJDI-XMTFNYHQSA-N 1 3 304.434 2.239 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@](C)(O)c1cccs1 ZINC000817911575 647380097 /nfs/dbraw/zinc/38/00/97/647380097.db2.gz CLQYFKXXIFFSLF-ZBEGNZNMSA-N 1 3 305.447 2.469 20 0 DEADHO C[C@](O)(CCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000817924858 647383973 /nfs/dbraw/zinc/38/39/73/647383973.db2.gz ZKAWBORHYJPPMF-OKYOBFRVSA-N 1 3 318.461 2.031 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](CCO)Cc1ccccc1 ZINC000817931887 647385785 /nfs/dbraw/zinc/38/57/85/647385785.db2.gz UQCWDPWKXKJZPN-PBHICJAKSA-N 1 3 313.445 2.493 20 0 DEADHO N[C@@H](CC1CCCCC1)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000818535730 647476330 /nfs/dbraw/zinc/47/63/30/647476330.db2.gz KXAUGDUMTJZCLM-KRWDZBQOSA-N 1 3 303.450 2.102 20 0 DEADHO Cc1ncc(CCNC[C@@H](O)C[N@@H+](C)Cc2ccccc2)s1 ZINC000819179377 647601773 /nfs/dbraw/zinc/60/17/73/647601773.db2.gz NHLCDBGQPZFBTC-MRXNPFEDSA-N 1 3 319.474 2.077 20 0 DEADHO Cc1ncc(CCNC[C@@H](O)C[N@H+](C)Cc2ccccc2)s1 ZINC000819179377 647601776 /nfs/dbraw/zinc/60/17/76/647601776.db2.gz NHLCDBGQPZFBTC-MRXNPFEDSA-N 1 3 319.474 2.077 20 0 DEADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCC1CCCCC1 ZINC000939212988 648601863 /nfs/dbraw/zinc/60/18/63/648601863.db2.gz AAFKFEWVRBZIKP-RHSMWYFYSA-N 1 3 318.465 2.359 20 0 DEADHO CCN(CC)[C@H](CNC(=O)C[C@H]([NH3+])C1CC1)c1ccsc1 ZINC000827024031 648961593 /nfs/dbraw/zinc/96/15/93/648961593.db2.gz PLYGGSBFYZBISE-LSDHHAIUSA-N 1 3 309.479 2.375 20 0 DEADHO CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)C(C)(C)C1 ZINC000941076254 648994303 /nfs/dbraw/zinc/99/43/03/648994303.db2.gz UNTUHMWFDJSVLG-HZPDHXFCSA-N 1 3 309.498 2.486 20 0 DEADHO CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)C(C)(C)C1 ZINC000941076254 648994307 /nfs/dbraw/zinc/99/43/07/648994307.db2.gz UNTUHMWFDJSVLG-HZPDHXFCSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)[C@@H](C)C1 ZINC000942053474 649143740 /nfs/dbraw/zinc/14/37/40/649143740.db2.gz PVNTUYDGIOKTGG-JKSUJKDBSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)[C@@H](C)C1 ZINC000942053474 649143741 /nfs/dbraw/zinc/14/37/41/649143741.db2.gz PVNTUYDGIOKTGG-JKSUJKDBSA-N 1 3 309.498 2.486 20 0 DEADHO CO[C@@H](C)CN(C)Cc1cncc(C[N@H+](C)C[C@H](C)OC)c1 ZINC000829767913 649352751 /nfs/dbraw/zinc/35/27/51/649352751.db2.gz HWBOGDGKCOMCGF-GJZGRUSLSA-N 1 3 309.454 2.015 20 0 DEADHO CO[C@@H](C)CN(C)Cc1cncc(C[N@@H+](C)C[C@H](C)OC)c1 ZINC000829767913 649352755 /nfs/dbraw/zinc/35/27/55/649352755.db2.gz HWBOGDGKCOMCGF-GJZGRUSLSA-N 1 3 309.454 2.015 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)NCC[N@H+]2CCC[C@H]2C)cc(Cl)n1 ZINC000831970615 649664724 /nfs/dbraw/zinc/66/47/24/649664724.db2.gz JRDBGAHLUYBCLE-OCCSQVGLSA-N 1 3 324.856 2.034 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)NCC[N@@H+]2CCC[C@H]2C)cc(Cl)n1 ZINC000831970615 649664726 /nfs/dbraw/zinc/66/47/26/649664726.db2.gz JRDBGAHLUYBCLE-OCCSQVGLSA-N 1 3 324.856 2.034 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCc2ccc(CC[NH3+])cc2)c1 ZINC000844165162 651085035 /nfs/dbraw/zinc/08/50/35/651085035.db2.gz RHWBSNLRKUIVLO-UHFFFAOYSA-N 1 3 311.429 2.179 20 0 DEADHO Cc1nc(CN2CCN(CCCCCCC[NH3+])CC2)cs1 ZINC000844221318 651095962 /nfs/dbraw/zinc/09/59/62/651095962.db2.gz CLPHWRNLKXLIBM-UHFFFAOYSA-N 1 3 310.511 2.478 20 0 DEADHO CCCC[N@H+](C)CC1CCN(C[C@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844276735 651102797 /nfs/dbraw/zinc/10/27/97/651102797.db2.gz HJXGRJWBJXPPNR-KRWDZBQOSA-N 1 3 323.481 2.414 20 0 DEADHO CCCC[N@@H+](C)CC1CCN(C[C@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844276735 651102799 /nfs/dbraw/zinc/10/27/99/651102799.db2.gz HJXGRJWBJXPPNR-KRWDZBQOSA-N 1 3 323.481 2.414 20 0 DEADHO CC(C)(C)OC(=O)NCCCCCCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000844278884 651103432 /nfs/dbraw/zinc/10/34/32/651103432.db2.gz KYPWLDDLEYWPDS-GJZGRUSLSA-N 1 3 311.470 2.223 20 0 DEADHO COC(=O)Cc1ccccc1C[NH2+]C1CCN(CC2CC2)CC1 ZINC000848573501 651473216 /nfs/dbraw/zinc/47/32/16/651473216.db2.gz HQWOLUVQSRIIRP-UHFFFAOYSA-N 1 3 316.445 2.366 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCOc1ccccc1F ZINC000849071651 651598807 /nfs/dbraw/zinc/59/88/07/651598807.db2.gz QEEVEMRVWDZNJP-AWEZNQCLSA-N 1 3 322.428 2.193 20 0 DEADHO COC(=O)N(C)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000850389762 651918818 /nfs/dbraw/zinc/91/88/18/651918818.db2.gz FTHHNOQPCAXMRP-NVXWUHKLSA-N 1 3 319.449 2.327 20 0 DEADHO COC(=O)N(C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000850389762 651918824 /nfs/dbraw/zinc/91/88/24/651918824.db2.gz FTHHNOQPCAXMRP-NVXWUHKLSA-N 1 3 319.449 2.327 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCc3cn[nH]c32)C[C@@H](C)O1 ZINC000857860268 652189602 /nfs/dbraw/zinc/18/96/02/652189602.db2.gz TUQJDBAIUJOVEM-IIAWOOMASA-N 1 3 306.454 2.266 20 0 DEADHO CN1CC[C@H]([NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC1(C)C ZINC000858135658 652262515 /nfs/dbraw/zinc/26/25/15/652262515.db2.gz BMAWLWFBCSIUQF-DLBZAZTESA-N 1 3 309.498 2.092 20 0 DEADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCCNC2=O)cc1 ZINC000854230720 652662686 /nfs/dbraw/zinc/66/26/86/652662686.db2.gz CVVXKCDMMWPTEC-IAGOWNOFSA-N 1 3 316.449 2.356 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccsc1)N(C)C ZINC001391899885 1156827822 /nfs/dbraw/zinc/82/78/22/1156827822.db2.gz NQWACHXPNPQIIX-HIFRSBDPSA-N 1 3 311.495 2.176 20 0 DEADHO CCCN1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001373407524 1157033693 /nfs/dbraw/zinc/03/36/93/1157033693.db2.gz RMKDGDAHZFGDEN-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1([NH2+]C/C=C\Cl)CCCC1)N(C)C ZINC001374160632 1157676721 /nfs/dbraw/zinc/67/67/21/1157676721.db2.gz BCZHGGZRDWSACX-YHAOYDPOSA-N 1 3 315.889 2.344 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CCC[N@H+](C)Cc1ccsc1 ZINC001393638948 1157891546 /nfs/dbraw/zinc/89/15/46/1157891546.db2.gz BKAKPSORHHWVNG-UHFFFAOYSA-N 1 3 311.495 2.369 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CCC[N@@H+](C)Cc1ccsc1 ZINC001393638948 1157891548 /nfs/dbraw/zinc/89/15/48/1157891548.db2.gz BKAKPSORHHWVNG-UHFFFAOYSA-N 1 3 311.495 2.369 20 0 DEADHO CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001393654000 1157894800 /nfs/dbraw/zinc/89/48/00/1157894800.db2.gz ZATZBXANNXXSKM-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001393654000 1157894801 /nfs/dbraw/zinc/89/48/01/1157894801.db2.gz ZATZBXANNXXSKM-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1F ZINC001393995423 1158146479 /nfs/dbraw/zinc/14/64/79/1158146479.db2.gz LGGYJBXIYLMTSZ-ZIAGYGMSSA-N 1 3 309.429 2.150 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC000382751563 685405196 /nfs/dbraw/zinc/40/51/96/685405196.db2.gz CBRBZFGCJKDXQZ-YJBOKZPZSA-N 1 3 315.461 2.237 20 0 DEADHO [NH3+]CCCCCC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000132821790 684213472 /nfs/dbraw/zinc/21/34/72/684213472.db2.gz NIRYTHATFLPLTG-KRWDZBQOSA-N 1 3 303.450 2.286 20 0 DEADHO Cc1c([C@H](C)NCCOCCC[NH3+])cnn1-c1ccccc1 ZINC000863548546 686520491 /nfs/dbraw/zinc/52/04/91/686520491.db2.gz ZGFHNVJCYQQOSJ-AWEZNQCLSA-N 1 3 302.422 2.197 20 0 DEADHO O[C@H](CNCCc1c[nH]c2ccc(Cl)cc12)C[NH+]1CCCC1 ZINC000863553324 686521371 /nfs/dbraw/zinc/52/13/71/686521371.db2.gz ZLFLEOBPBHHWQJ-OAHLLOKOSA-N 1 3 321.852 2.410 20 0 DEADHO C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1NCCF ZINC001054826068 694055017 /nfs/dbraw/zinc/05/50/17/694055017.db2.gz DTHIIJFYZHCWCB-ZFWWWQNUSA-N 1 3 313.461 2.045 20 0 DEADHO C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1NCCF ZINC001054826068 694055022 /nfs/dbraw/zinc/05/50/22/694055022.db2.gz DTHIIJFYZHCWCB-ZFWWWQNUSA-N 1 3 313.461 2.045 20 0 DEADHO C[C@H]1CN(CCC[NH2+]Cc2cnc(Cl)c(F)c2)CCCO1 ZINC000865544186 687253866 /nfs/dbraw/zinc/25/38/66/687253866.db2.gz LJXOPXIMWBNEEF-LBPRGKRZSA-N 1 3 315.820 2.465 20 0 DEADHO CCn1nncc1CNCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000865775542 687330498 /nfs/dbraw/zinc/33/04/98/687330498.db2.gz YEHHNIFFZYEYMC-UHFFFAOYSA-N 1 3 313.449 2.051 20 0 DEADHO CC(C)[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccccn1 ZINC000866351559 687544833 /nfs/dbraw/zinc/54/48/33/687544833.db2.gz BPVLAFGRIPOTFY-KRWDZBQOSA-N 1 3 304.482 2.394 20 0 DEADHO CCOc1ccccc1NC(=O)CC[N@@H+]1CCNCCC1(C)C ZINC000866699389 687657500 /nfs/dbraw/zinc/65/75/00/687657500.db2.gz MSFLMCOSBAEVAP-UHFFFAOYSA-N 1 3 319.449 2.488 20 0 DEADHO CCOc1ccccc1NC(=O)CC[N@H+]1CCNCCC1(C)C ZINC000866699389 687657503 /nfs/dbraw/zinc/65/75/03/687657503.db2.gz MSFLMCOSBAEVAP-UHFFFAOYSA-N 1 3 319.449 2.488 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](C(C)C)CC2 ZINC001016616147 687666069 /nfs/dbraw/zinc/66/60/69/687666069.db2.gz ZTEGPHOPPAEFTD-HZPDHXFCSA-N 1 3 307.482 2.238 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC23CC[NH+](CCC2CC2)CC3)C1 ZINC001016819707 687709669 /nfs/dbraw/zinc/70/96/69/687709669.db2.gz MLKZYMAJATWNTE-WBVHZDCISA-N 1 3 319.493 2.099 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000930335973 694140062 /nfs/dbraw/zinc/14/00/62/694140062.db2.gz DEOSRNMXRZBGOF-MSOLQXFVSA-N 1 3 317.477 2.148 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC2CC2)C1)N(C)C ZINC001017202379 687823280 /nfs/dbraw/zinc/82/32/80/687823280.db2.gz VNEIQCRKMMDVEH-DLBZAZTESA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CC2)C1)N(C)C ZINC001017202379 687823287 /nfs/dbraw/zinc/82/32/87/687823287.db2.gz VNEIQCRKMMDVEH-DLBZAZTESA-N 1 3 309.498 2.153 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001017267657 687850396 /nfs/dbraw/zinc/85/03/96/687850396.db2.gz RROKBETXONPUPY-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC001017267657 687850403 /nfs/dbraw/zinc/85/04/03/687850403.db2.gz RROKBETXONPUPY-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO CC1CC(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CN2CC[C@@H](C)C2)C1 ZINC001017943248 688007472 /nfs/dbraw/zinc/00/74/72/688007472.db2.gz CDFUTPMMFAEZGN-BNGPMPHDSA-N 1 3 319.493 2.050 20 0 DEADHO CC1CC(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CN2CC[C@@H](C)C2)C1 ZINC001017943248 688007478 /nfs/dbraw/zinc/00/74/78/688007478.db2.gz CDFUTPMMFAEZGN-BNGPMPHDSA-N 1 3 319.493 2.050 20 0 DEADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)C2)cs1 ZINC001018972559 688264133 /nfs/dbraw/zinc/26/41/33/688264133.db2.gz BXVKFAKZAZFJKA-HNNXBMFYSA-N 1 3 321.490 2.231 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001019380496 688342457 /nfs/dbraw/zinc/34/24/57/688342457.db2.gz BKSLSGFEOSWHIM-PBHICJAKSA-N 1 3 319.424 2.001 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2c(C)cccc2C)C1)N(C)C ZINC001019396917 688347097 /nfs/dbraw/zinc/34/70/97/688347097.db2.gz ANBPLUSLHZBEEB-WMZOPIPTSA-N 1 3 317.477 2.334 20 0 DEADHO C[NH+]1CCC(CC(=O)N2CC[C@H](NCc3ccsc3)C2)CC1 ZINC001019469593 688363550 /nfs/dbraw/zinc/36/35/50/688363550.db2.gz CVGPMGNDZPFMHH-INIZCTEOSA-N 1 3 321.490 2.171 20 0 DEADHO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]CCC2CC2)C1)N1CCCCC1 ZINC001020152498 688474984 /nfs/dbraw/zinc/47/49/84/688474984.db2.gz NHHSKUUQIYVOQE-WKILWMFISA-N 1 3 307.482 2.288 20 0 DEADHO CN(CC(=O)N1CCC(C[N@H+](C)CC2CCC2)CC1)C1CCC1 ZINC001029971249 688583754 /nfs/dbraw/zinc/58/37/54/688583754.db2.gz SYDZYJORXFPDLI-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CN(CC(=O)N1CCC(C[N@@H+](C)CC2CCC2)CC1)C1CCC1 ZINC001029971249 688583758 /nfs/dbraw/zinc/58/37/58/688583758.db2.gz SYDZYJORXFPDLI-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1)N(C)Cc1ccccc1 ZINC000870885582 688678012 /nfs/dbraw/zinc/67/80/12/688678012.db2.gz PGJSPOGGDJQLAK-BHYGNILZSA-N 1 3 303.450 2.141 20 0 DEADHO Cc1ccc(CNC(=O)CN(C)CCCCCC[NH3+])cc1F ZINC000872155263 688939772 /nfs/dbraw/zinc/93/97/72/688939772.db2.gz PLBYRNZNUGYSHE-UHFFFAOYSA-N 1 3 309.429 2.201 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(CC2=CCCCC2)C1 ZINC001031715419 688985285 /nfs/dbraw/zinc/98/52/85/688985285.db2.gz UNBQXTAOQQVWEE-SFHVURJKSA-N 1 3 319.493 2.409 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1CN(CC2=CCCCC2)C1 ZINC001031715419 688985289 /nfs/dbraw/zinc/98/52/89/688985289.db2.gz UNBQXTAOQQVWEE-SFHVURJKSA-N 1 3 319.493 2.409 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1ccnc2ncccc12 ZINC000872595463 689043114 /nfs/dbraw/zinc/04/31/14/689043114.db2.gz GOUDIXHAHFRAQD-AWEZNQCLSA-N 1 3 301.438 2.314 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1ccnc2ncccc12 ZINC000872595463 689043116 /nfs/dbraw/zinc/04/31/16/689043116.db2.gz GOUDIXHAHFRAQD-AWEZNQCLSA-N 1 3 301.438 2.314 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC1C[NH+](CC2CC(C)C2)C1 ZINC001032027074 689044898 /nfs/dbraw/zinc/04/48/98/689044898.db2.gz MVTWJDNPHNKGPS-HTWSVDAQSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001032440179 689151817 /nfs/dbraw/zinc/15/18/17/689151817.db2.gz COBNDPGFTHPBSI-SQNIBIBYSA-N 1 3 321.509 2.296 20 0 DEADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001032440179 689151821 /nfs/dbraw/zinc/15/18/21/689151821.db2.gz COBNDPGFTHPBSI-SQNIBIBYSA-N 1 3 321.509 2.296 20 0 DEADHO COCCO[C@H]1CCCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873207408 689183976 /nfs/dbraw/zinc/18/39/76/689183976.db2.gz BASNKQOTJLMNDA-AWEZNQCLSA-N 1 3 310.463 2.021 20 0 DEADHO Cc1ccc(CN2CCO[C@H](CN[C@@H]3CCC[C@H]([NH3+])C3)C2)cc1 ZINC000873266992 689197958 /nfs/dbraw/zinc/19/79/58/689197958.db2.gz VGSAATKATJAFLP-IPMKNSEASA-N 1 3 317.477 2.055 20 0 DEADHO Cc1cccc(CN2CCO[C@H](CN[C@@H]3CCC[C@H]([NH3+])C3)C2)c1 ZINC000873266938 689198009 /nfs/dbraw/zinc/19/80/09/689198009.db2.gz ULAQTRSTENTIGS-IPMKNSEASA-N 1 3 317.477 2.055 20 0 DEADHO [NH3+][C@H]1CCC[C@@H](N[C@H]2C[C@H](C(=O)OCc3ccccc3)C2)C1 ZINC000873273868 689199931 /nfs/dbraw/zinc/19/99/31/689199931.db2.gz OBPCCDGYTUUADJ-NXOAAHMSSA-N 1 3 302.418 2.368 20 0 DEADHO c1cnc2c(c1)CCC[C@@H]2NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873293398 689203987 /nfs/dbraw/zinc/20/39/87/689203987.db2.gz LVQXWBMMIFXHAE-HOTGVXAUSA-N 1 3 301.434 2.207 20 0 DEADHO CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001032711114 689232297 /nfs/dbraw/zinc/23/22/97/689232297.db2.gz ITHVWBRZJYNBLZ-IRXDYDNUSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001033069257 689374765 /nfs/dbraw/zinc/37/47/65/689374765.db2.gz HPOSKKXPFGOCGK-SJORKVTESA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033069257 689374769 /nfs/dbraw/zinc/37/47/69/689374769.db2.gz HPOSKKXPFGOCGK-SJORKVTESA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001033070077 689376764 /nfs/dbraw/zinc/37/67/64/689376764.db2.gz NFYHATAFXJIYBZ-IAGOWNOFSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001033070077 689376768 /nfs/dbraw/zinc/37/67/68/689376768.db2.gz NFYHATAFXJIYBZ-IAGOWNOFSA-N 1 3 309.498 2.438 20 0 DEADHO CN(C(=O)[C@H](C1CC1)N1CCCC1)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001033294615 689452390 /nfs/dbraw/zinc/45/23/90/689452390.db2.gz BNXGGIUUESBYFP-ROUUACIJSA-N 1 3 319.493 2.194 20 0 DEADHO CN(C(=O)[C@H](C1CC1)N1CCCC1)[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033294615 689452392 /nfs/dbraw/zinc/45/23/92/689452392.db2.gz BNXGGIUUESBYFP-ROUUACIJSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001033467352 689511024 /nfs/dbraw/zinc/51/10/24/689511024.db2.gz NJTSLUZVWTXUIA-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001033467352 689511028 /nfs/dbraw/zinc/51/10/28/689511028.db2.gz NJTSLUZVWTXUIA-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CC2)C1 ZINC001034239372 689776597 /nfs/dbraw/zinc/77/65/97/689776597.db2.gz JTBAIOAGZRRQNY-SJORKVTESA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CC2)C1 ZINC001034239372 689776600 /nfs/dbraw/zinc/77/66/00/689776600.db2.gz JTBAIOAGZRRQNY-SJORKVTESA-N 1 3 307.482 2.242 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876728557 689918336 /nfs/dbraw/zinc/91/83/36/689918336.db2.gz PGLKMMHAAZIYAH-KGXGESDWSA-N 1 3 317.433 2.251 20 0 DEADHO CCN1CC[C@H]([N@H+](C)Cc2cnc3c(cnn3C)c2)C[C@@H]1C ZINC000876757357 689927851 /nfs/dbraw/zinc/92/78/51/689927851.db2.gz CGJDXOZNPHETCF-BBRMVZONSA-N 1 3 301.438 2.273 20 0 DEADHO CCN1CC[C@H]([N@@H+](C)Cc2cnc3c(cnn3C)c2)C[C@@H]1C ZINC000876757357 689927854 /nfs/dbraw/zinc/92/78/54/689927854.db2.gz CGJDXOZNPHETCF-BBRMVZONSA-N 1 3 301.438 2.273 20 0 DEADHO CC(C)(C(=O)N1CCC[C@@H]1C[NH2+]CC1CC1)N1CCCCC1 ZINC001034937777 689996026 /nfs/dbraw/zinc/99/60/26/689996026.db2.gz CJDWHZJQGGIMMY-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C)c1ccccc1 ZINC001035013131 690008549 /nfs/dbraw/zinc/00/85/49/690008549.db2.gz DFGBPGUZXZYOHG-CGTJXYLNSA-N 1 3 315.461 2.422 20 0 DEADHO C[NH+](C)CCOc1cc(CNC[C@H]2CC2(Cl)Cl)ccn1 ZINC000877163099 690034846 /nfs/dbraw/zinc/03/48/46/690034846.db2.gz OJLCSBJCUFMEAA-GFCCVEGCSA-N 1 3 318.248 2.305 20 0 DEADHO C[NH+]1CCC2(CCN(C(=O)c3cccc4c3CNC4)CC2)CC1 ZINC000877192317 690041896 /nfs/dbraw/zinc/04/18/96/690041896.db2.gz LLTUDTXXFWQALC-UHFFFAOYSA-N 1 3 313.445 2.238 20 0 DEADHO C[N@@H+]1CCN(C(=O)C[C@H]2NCc3ccccc32)CCC1(C)C ZINC000877206614 690045739 /nfs/dbraw/zinc/04/57/39/690045739.db2.gz NIRJIBCSQBOZDO-MRXNPFEDSA-N 1 3 301.434 2.164 20 0 DEADHO C[N@H+]1CCN(C(=O)C[C@H]2NCc3ccccc32)CCC1(C)C ZINC000877206614 690045743 /nfs/dbraw/zinc/04/57/43/690045743.db2.gz NIRJIBCSQBOZDO-MRXNPFEDSA-N 1 3 301.434 2.164 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC2(CC[N@H+](CC3CC3)C2)CC1)C1CC1 ZINC001035193418 690055368 /nfs/dbraw/zinc/05/53/68/690055368.db2.gz BUCMXXLLIZBBSI-QGZVFWFLSA-N 1 3 319.493 2.051 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC2(CC[N@@H+](CC3CC3)C2)CC1)C1CC1 ZINC001035193418 690055370 /nfs/dbraw/zinc/05/53/70/690055370.db2.gz BUCMXXLLIZBBSI-QGZVFWFLSA-N 1 3 319.493 2.051 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001035231757 690067591 /nfs/dbraw/zinc/06/75/91/690067591.db2.gz QLMXDLKVRQHZOI-OAHLLOKOSA-N 1 3 318.465 2.313 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001035231757 690067596 /nfs/dbraw/zinc/06/75/96/690067596.db2.gz QLMXDLKVRQHZOI-OAHLLOKOSA-N 1 3 318.465 2.313 20 0 DEADHO C[C@H](C(=O)NC[C@H]1Cc2ccccc2CN1)[NH+]1CCCCCC1 ZINC000877342823 690082315 /nfs/dbraw/zinc/08/23/15/690082315.db2.gz FVLLCCGZPANGEJ-CRAIPNDOSA-N 1 3 315.461 2.082 20 0 DEADHO CN1CC[C@@]2(CC[N@H+](C[C@H]3CCCN3C(=O)OC(C)(C)C)C2)C1 ZINC000877546861 690147894 /nfs/dbraw/zinc/14/78/94/690147894.db2.gz XPPGEBUYEUYWSC-CRAIPNDOSA-N 1 3 323.481 2.414 20 0 DEADHO CN1CC[C@@]2(CC[N@@H+](C[C@H]3CCCN3C(=O)OC(C)(C)C)C2)C1 ZINC000877546861 690147896 /nfs/dbraw/zinc/14/78/96/690147896.db2.gz XPPGEBUYEUYWSC-CRAIPNDOSA-N 1 3 323.481 2.414 20 0 DEADHO CC[C@H](C(=O)N1CCC2(C[NH+](CC3CCCC3)C2)CC1)N(C)C ZINC001035731254 690163102 /nfs/dbraw/zinc/16/31/02/690163102.db2.gz CCFSSJWFRHAAKW-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)CC2 ZINC001035795751 690179041 /nfs/dbraw/zinc/17/90/41/690179041.db2.gz YOCXKZRUJYLEII-IRXDYDNUSA-N 1 3 319.493 2.075 20 0 DEADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1C)CC2 ZINC001035795751 690179044 /nfs/dbraw/zinc/17/90/44/690179044.db2.gz YOCXKZRUJYLEII-IRXDYDNUSA-N 1 3 319.493 2.075 20 0 DEADHO CC(C)C[NH+]1CC2(C1)CCN(C(=O)CN1CCC[C@H]1C)CC2 ZINC001035798520 690179146 /nfs/dbraw/zinc/17/91/46/690179146.db2.gz NZECBASXPROOJI-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001035803943 690180652 /nfs/dbraw/zinc/18/06/52/690180652.db2.gz KNBMBROPEAKTAB-UHFFFAOYSA-N 1 3 318.465 2.313 20 0 DEADHO CCC[NH+]1CC2(C1)CCN(C(=O)CN1CCC(C)CC1)CC2 ZINC001035821250 690185260 /nfs/dbraw/zinc/18/52/60/690185260.db2.gz VNOQVHNVWKKVTJ-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@H]1[NH2+]CCF ZINC001036027040 690238948 /nfs/dbraw/zinc/23/89/48/690238948.db2.gz FPSXEIJNOASJPH-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]Cc1ccsc1 ZINC001036206614 690290883 /nfs/dbraw/zinc/29/08/83/690290883.db2.gz REHOTFHCVNEBGN-WFASDCNBSA-N 1 3 318.446 2.041 20 0 DEADHO C[C@@H]1CN(C[C@H]2CCC(C)(C)CO2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000878324297 690378837 /nfs/dbraw/zinc/37/88/37/690378837.db2.gz KLPCCVJXODXOBQ-KZNAEPCWSA-N 1 3 323.525 2.149 20 0 DEADHO COC(=O)[C@@H]1CCCC[C@@H]1CN1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931317178 694366523 /nfs/dbraw/zinc/36/65/23/694366523.db2.gz NJFZRAFHXCWTKZ-LMSBXDPUSA-N 1 3 308.466 2.239 20 0 DEADHO CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]21 ZINC001036717527 690443696 /nfs/dbraw/zinc/44/36/96/690443696.db2.gz XAZPTXWAKRFWCN-CVEARBPZSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]21 ZINC001036717527 690443698 /nfs/dbraw/zinc/44/36/98/690443698.db2.gz XAZPTXWAKRFWCN-CVEARBPZSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)c1cc(CN2CCCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000878748285 690490496 /nfs/dbraw/zinc/49/04/96/690490496.db2.gz VAWMFMWMRNQQHD-UHFFFAOYSA-N 1 3 311.433 2.255 20 0 DEADHO CCCCC[C@H](C)NC(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000878865010 690516586 /nfs/dbraw/zinc/51/65/86/690516586.db2.gz COMSGSCYWUSQHH-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@@H]21 ZINC001036902775 690521789 /nfs/dbraw/zinc/52/17/89/690521789.db2.gz PTZHNYVBNKKZKK-AEFFLSMTSA-N 1 3 315.461 2.305 20 0 DEADHO CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@@H]21 ZINC001036902775 690521790 /nfs/dbraw/zinc/52/17/90/690521790.db2.gz PTZHNYVBNKKZKK-AEFFLSMTSA-N 1 3 315.461 2.305 20 0 DEADHO CC[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CC1CCC1 ZINC001037853640 690624242 /nfs/dbraw/zinc/62/42/42/690624242.db2.gz OBAGWNTVSJARDO-DLBZAZTESA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CC1CC1 ZINC001037862263 690626099 /nfs/dbraw/zinc/62/60/99/690626099.db2.gz VBJBVCFOTIWIGL-WBVHZDCISA-N 1 3 307.482 2.097 20 0 DEADHO O=C(NC[C@@H]1CCN1CC1CC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038247165 690756315 /nfs/dbraw/zinc/75/63/15/690756315.db2.gz HFPNCCQYONIFDW-WMZOPIPTSA-N 1 3 319.493 2.242 20 0 DEADHO O=C(NC[C@@H]1CCN1CC1CC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038247165 690756318 /nfs/dbraw/zinc/75/63/18/690756318.db2.gz HFPNCCQYONIFDW-WMZOPIPTSA-N 1 3 319.493 2.242 20 0 DEADHO CN1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1=CCCCC1 ZINC001038408446 690808566 /nfs/dbraw/zinc/80/85/66/690808566.db2.gz KFNVAPNIZCXFNP-IAGOWNOFSA-N 1 3 305.466 2.162 20 0 DEADHO CN1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CC1=CCCCC1 ZINC001038408446 690808569 /nfs/dbraw/zinc/80/85/69/690808569.db2.gz KFNVAPNIZCXFNP-IAGOWNOFSA-N 1 3 305.466 2.162 20 0 DEADHO CC(C)(C)CCN1CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001038452613 690827732 /nfs/dbraw/zinc/82/77/32/690827732.db2.gz DTUZNLZBFVBSJD-OAHLLOKOSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1CN(C[C@@H](O)Cc2ccccc2)CCN1c1cc[nH+]cc1 ZINC000880259107 690853996 /nfs/dbraw/zinc/85/39/96/690853996.db2.gz MUJXDXMKUZSZNI-APWZRJJASA-N 1 3 311.429 2.196 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCN2CC2CCC2)CC1 ZINC001038867839 690949226 /nfs/dbraw/zinc/94/92/26/690949226.db2.gz BBNHRNNEWCXTGD-QGZVFWFLSA-N 1 3 307.482 2.097 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCN2CCCC2CCCC2)C1 ZINC001039025522 690996153 /nfs/dbraw/zinc/99/61/53/690996153.db2.gz AAVPREGMNSQIBQ-IAGOWNOFSA-N 1 3 307.482 2.099 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCN2CCCC2CCCC2)C1 ZINC001039025522 690996156 /nfs/dbraw/zinc/99/61/56/690996156.db2.gz AAVPREGMNSQIBQ-IAGOWNOFSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1(N(C)C)CCC1 ZINC001039288663 691075605 /nfs/dbraw/zinc/07/56/05/691075605.db2.gz FOHWQNVRVKRCAX-MQVJKMGUSA-N 1 3 307.482 2.381 20 0 DEADHO CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CC[C@@H](C)C1 ZINC001039298490 691076823 /nfs/dbraw/zinc/07/68/23/691076823.db2.gz ZFUFFKVSAJKQLF-MGNMYUMUSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040421970 691245803 /nfs/dbraw/zinc/24/58/03/691245803.db2.gz IJOIUHIXAPBXBI-GOSISDBHSA-N 1 3 318.465 2.313 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040421970 691245807 /nfs/dbraw/zinc/24/58/07/691245807.db2.gz IJOIUHIXAPBXBI-GOSISDBHSA-N 1 3 318.465 2.313 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040421913 691245943 /nfs/dbraw/zinc/24/59/43/691245943.db2.gz IAJZHBPWGLERIO-MAUKXSAKSA-N 1 3 318.465 2.313 20 0 DEADHO CC[C@H](C)C[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040421913 691245945 /nfs/dbraw/zinc/24/59/45/691245945.db2.gz IAJZHBPWGLERIO-MAUKXSAKSA-N 1 3 318.465 2.313 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC[C@]3(CC[N@H+](CC4CC4)C3)C2)C1 ZINC001041666958 691407998 /nfs/dbraw/zinc/40/79/98/691407998.db2.gz AOPDTVFGOUNATL-IBGZPJMESA-N 1 3 319.493 2.053 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC[C@]3(CC[N@@H+](CC4CC4)C3)C2)C1 ZINC001041666958 691407999 /nfs/dbraw/zinc/40/79/99/691407999.db2.gz AOPDTVFGOUNATL-IBGZPJMESA-N 1 3 319.493 2.053 20 0 DEADHO C([C@@H]1CCC2(CCOCC2)O1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000883430119 691507376 /nfs/dbraw/zinc/50/73/76/691507376.db2.gz NKASDFJNOMATQZ-IKGGRYGDSA-N 1 3 308.466 2.179 20 0 DEADHO CC(C)(C)[C@]1(CN)CC[N@H+](C[C@H]2CCC3(CCOCC3)O2)C1 ZINC000883438831 691510372 /nfs/dbraw/zinc/51/03/72/691510372.db2.gz DCVQNGNMDQDFPX-WBVHZDCISA-N 1 3 310.482 2.412 20 0 DEADHO CC(C)(C)[C@]1(CN)CC[N@@H+](C[C@H]2CCC3(CCOCC3)O2)C1 ZINC000883438831 691510376 /nfs/dbraw/zinc/51/03/76/691510376.db2.gz DCVQNGNMDQDFPX-WBVHZDCISA-N 1 3 310.482 2.412 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001042185384 691531783 /nfs/dbraw/zinc/53/17/83/691531783.db2.gz BIHKKOJMNHGFHI-CVEARBPZSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001042185384 691531786 /nfs/dbraw/zinc/53/17/86/691531786.db2.gz BIHKKOJMNHGFHI-CVEARBPZSA-N 1 3 307.482 2.194 20 0 DEADHO CC1(C)C[NH2+]C[C@H]1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000884178680 691674903 /nfs/dbraw/zinc/67/49/03/691674903.db2.gz RXSFJHZYNUWXFO-DLBZAZTESA-N 1 3 315.461 2.185 20 0 DEADHO CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000884189800 691678065 /nfs/dbraw/zinc/67/80/65/691678065.db2.gz NEQRWPQYHPSNKY-IAGOWNOFSA-N 1 3 315.461 2.185 20 0 DEADHO CC1CC(CN2CC(N(C)C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001043232478 691690517 /nfs/dbraw/zinc/69/05/17/691690517.db2.gz HRXIOFBBBRFUKQ-UHFFFAOYSA-N 1 3 312.417 2.137 20 0 DEADHO N[C@@H](CC1CC1)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000884274985 691697817 /nfs/dbraw/zinc/69/78/17/691697817.db2.gz ZJWBBEGDWUZBSL-LBPRGKRZSA-N 1 3 301.312 2.230 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CC3CC3)C[C@@H]2C)CC1 ZINC001044790462 691887625 /nfs/dbraw/zinc/88/76/25/691887625.db2.gz CGCGHKVRCHKARJ-DOTOQJQBSA-N 1 3 307.482 2.097 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCC1 ZINC001045322660 691963341 /nfs/dbraw/zinc/96/33/41/691963341.db2.gz UDWNYGWQUKUZMW-DLBZAZTESA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC1(C)CC[NH+](CC2CC2)CC1 ZINC001045437828 691980876 /nfs/dbraw/zinc/98/08/76/691980876.db2.gz FQEUKJKOEOUDMR-MRXNPFEDSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1CN(CCOC2CCCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000886098844 692003502 /nfs/dbraw/zinc/00/35/02/692003502.db2.gz RQWBVOFVARVQKR-MJGOQNOKSA-N 1 3 323.525 2.294 20 0 DEADHO CN1CCN(CC[NH2+]C/C=C\c2cccc(F)c2)CC1(C)C ZINC000886104945 692004484 /nfs/dbraw/zinc/00/44/84/692004484.db2.gz OZXOGDCYXYLHRL-ALCCZGGFSA-N 1 3 305.441 2.455 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CCC2CC2)C1 ZINC001046317565 692150031 /nfs/dbraw/zinc/15/00/31/692150031.db2.gz UNNVGLTTYPQGFE-WMZOPIPTSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCC2CC2)C1 ZINC001046317565 692150033 /nfs/dbraw/zinc/15/00/33/692150033.db2.gz UNNVGLTTYPQGFE-WMZOPIPTSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001046316048 692150776 /nfs/dbraw/zinc/15/07/76/692150776.db2.gz MZEBPIJCLSTZIV-SJLPKXTDSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001046316048 692150779 /nfs/dbraw/zinc/15/07/79/692150779.db2.gz MZEBPIJCLSTZIV-SJLPKXTDSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H]1C[C@@]2(CC[C@H](CNC3CC[NH+](CC4CC4)CC3)O2)CO1 ZINC000886761464 692185254 /nfs/dbraw/zinc/18/52/54/692185254.db2.gz FFCQBDNDBPIACO-OLMNPRSZSA-N 1 3 308.466 2.177 20 0 DEADHO C([C@@H]1CCC2(CCOCC2)CO1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886876181 692218476 /nfs/dbraw/zinc/21/84/76/692218476.db2.gz TUMSWBCWILVONB-HKUYNNGSSA-N 1 3 322.493 2.428 20 0 DEADHO CN(C)[C@@H](CNC(=O)C[NH2+]C1(C2CC2)CCC1)c1ccccc1 ZINC000887147512 692292819 /nfs/dbraw/zinc/29/28/19/692292819.db2.gz PVBHNAJVUJXKEH-KRWDZBQOSA-N 1 3 315.461 2.328 20 0 DEADHO CCC(CC)C[N@H+]1C[C@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C1 ZINC001049057757 692753933 /nfs/dbraw/zinc/75/39/33/692753933.db2.gz RRGGFNJGWAKVJX-NXHRZFHOSA-N 1 3 321.509 2.297 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C1 ZINC001049057757 692753936 /nfs/dbraw/zinc/75/39/36/692753936.db2.gz RRGGFNJGWAKVJX-NXHRZFHOSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CC1 ZINC001049463786 692890463 /nfs/dbraw/zinc/89/04/63/692890463.db2.gz JHMJKAXRNUJHAV-OKZBNKHCSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CC1 ZINC001049463786 692890467 /nfs/dbraw/zinc/89/04/67/692890467.db2.gz JHMJKAXRNUJHAV-OKZBNKHCSA-N 1 3 319.493 2.335 20 0 DEADHO CN(C(=O)NC1CCC(C)([NH+]2CCC2)CC1)[C@@H]1CCCN(C)C1 ZINC000896704358 693009701 /nfs/dbraw/zinc/00/97/01/693009701.db2.gz IXLAQZCSENGGJN-UPTPFMHGSA-N 1 3 322.497 2.129 20 0 DEADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(N2CCCC2=O)cc1 ZINC000924584856 693154418 /nfs/dbraw/zinc/15/44/18/693154418.db2.gz NSNMGOZDXWMVEP-MCPYQZEQSA-N 1 3 313.445 2.243 20 0 DEADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(N2CCCC2=O)cc1 ZINC000924584856 693154421 /nfs/dbraw/zinc/15/44/21/693154421.db2.gz NSNMGOZDXWMVEP-MCPYQZEQSA-N 1 3 313.445 2.243 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CC[NH+](CC1CCCC1)CC2)N(C)C ZINC001050560689 693206928 /nfs/dbraw/zinc/20/69/28/693206928.db2.gz DLCALLZUSXLFSU-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2ccnnc2)[C@@H](C)C1 ZINC000925077788 693223210 /nfs/dbraw/zinc/22/32/10/693223210.db2.gz IMPHLEZDSITVFN-UXLLHSPISA-N 1 3 306.454 2.264 20 0 DEADHO CC[C@H](C)C[NH+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001050663387 693227523 /nfs/dbraw/zinc/22/75/23/693227523.db2.gz SLJOVJLVXPEASW-IRXDYDNUSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC2(C1)CC[NH+](CC1CC1)CC2 ZINC001050766453 693246911 /nfs/dbraw/zinc/24/69/11/693246911.db2.gz OTXIOSITZLFRIP-HZPDHXFCSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@@H]1CC2(CC([NH2+]CCCCN3C[C@H](C)O[C@@H](C)C3)C2)CO1 ZINC000925440502 693273751 /nfs/dbraw/zinc/27/37/51/693273751.db2.gz SNDPKDLYQWKIAC-ZJORFUSXSA-N 1 3 310.482 2.423 20 0 DEADHO CC1CCN([C@@H](CN[C@@H]2C[NH2+]CCOC2)c2ccccc2)CC1 ZINC000925491062 693281221 /nfs/dbraw/zinc/28/12/21/693281221.db2.gz DACWOIPBKNZIBR-MOPGFXCFSA-N 1 3 317.477 2.038 20 0 DEADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C1CCN(CC(F)F)CC1 ZINC000925534239 693290614 /nfs/dbraw/zinc/29/06/14/693290614.db2.gz KOPXZJGFPKFFJT-SNPRPXQTSA-N 1 3 301.425 2.082 20 0 DEADHO COc1ccccc1N1CC[C@H](N[C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925554230 693295961 /nfs/dbraw/zinc/29/59/61/693295961.db2.gz ZWXYERNWJZKLJB-XKQJLSEDSA-N 1 3 301.434 2.133 20 0 DEADHO OCc1ccc(CC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)cc1 ZINC000925632529 693313273 /nfs/dbraw/zinc/31/32/73/693313273.db2.gz AGNPEZQGEXRRMB-OALUTQOASA-N 1 3 302.462 2.479 20 0 DEADHO N[C@@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)C12CCC2 ZINC000925663847 693320932 /nfs/dbraw/zinc/32/09/32/693320932.db2.gz AQACJHZXDMAFPA-XHSDSOJGSA-N 1 3 314.433 2.152 20 0 DEADHO O[C@H](CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)Cc1cccc(F)c1 ZINC000925681146 693323353 /nfs/dbraw/zinc/32/33/53/693323353.db2.gz STAPQZHUUIQVJW-GBESFXJTSA-N 1 3 320.452 2.487 20 0 DEADHO C(N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CCC2(CCOCC2)CO1 ZINC000925737192 693332544 /nfs/dbraw/zinc/33/25/44/693332544.db2.gz PUNBUYALKVNAFN-XLAORIBOSA-N 1 3 322.493 2.473 20 0 DEADHO Cc1cc([C@H](C)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c(C)o1 ZINC000925854735 693354526 /nfs/dbraw/zinc/35/45/26/693354526.db2.gz SJXKIBXYOBPSGR-GXTWGEPZSA-N 1 3 306.406 2.232 20 0 DEADHO C[C@@H]1CN(CCC[NH2+][C@@H]2CCCN3CCCC[C@@H]23)CCCO1 ZINC000926288424 693429077 /nfs/dbraw/zinc/42/90/77/693429077.db2.gz VGVGZBSSYIBEFN-KURKYZTESA-N 1 3 309.498 2.094 20 0 DEADHO C[NH+]1CCC(C(=O)N[C@H]2CCCN(C/C=C\Cl)CC2)CC1 ZINC001052680184 693594956 /nfs/dbraw/zinc/59/49/56/693594956.db2.gz HDNCJBYYPJDLDR-VOGXCRAGSA-N 1 3 313.873 2.051 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@H]1CCC[N@H+](CCC2CC2)CC1 ZINC001052713483 693601692 /nfs/dbraw/zinc/60/16/92/693601692.db2.gz YEQLBANBQZEHNX-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC001052713483 693601696 /nfs/dbraw/zinc/60/16/96/693601696.db2.gz YEQLBANBQZEHNX-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C)C1(C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)CCC1 ZINC000928009808 693700141 /nfs/dbraw/zinc/70/01/41/693700141.db2.gz UEFQJUIZPHVWMA-UHFFFAOYSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(C)[C@@H]2CCCN(C)C2)C1 ZINC001351951134 1151636377 /nfs/dbraw/zinc/63/63/77/1151636377.db2.gz VRQCEQQKDRSYNG-IXDOHACOSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N(C)[C@@H]2CCCN(C)C2)C1 ZINC001351951134 1151636379 /nfs/dbraw/zinc/63/63/79/1151636379.db2.gz VRQCEQQKDRSYNG-IXDOHACOSA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001402699710 1162444372 /nfs/dbraw/zinc/44/43/72/1162444372.db2.gz WVLFYAMLLUUWOB-QGZVFWFLSA-N 1 3 309.498 2.203 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CC(C)C1 ZINC001402755559 1162461221 /nfs/dbraw/zinc/46/12/21/1162461221.db2.gz ITOYZIWNUGZTCY-OFLPRAFFSA-N 1 3 309.498 2.345 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCCN(C/C=C\Cl)C1 ZINC001402783525 1162471253 /nfs/dbraw/zinc/47/12/53/1162471253.db2.gz PFQNADOJJJCRBF-AJNJCKRNSA-N 1 3 315.889 2.297 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCCN(C/C=C\Cl)C1 ZINC001402783525 1162471257 /nfs/dbraw/zinc/47/12/57/1162471257.db2.gz PFQNADOJJJCRBF-AJNJCKRNSA-N 1 3 315.889 2.297 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH2+]Cc1ccccc1C ZINC001402852911 1162499366 /nfs/dbraw/zinc/49/93/66/1162499366.db2.gz HJGSHXYPCPLBRI-AWEZNQCLSA-N 1 3 314.433 2.254 20 0 DEADHO Cc1ccc(C[NH2+]C2(CNC(=O)CN3CC[C@H](C)C3)CC2)cc1 ZINC001380144460 1152756216 /nfs/dbraw/zinc/75/62/16/1152756216.db2.gz ZQNTVJDVWSZUIO-INIZCTEOSA-N 1 3 315.461 2.075 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C1CC[NH+](CC2CCC2)CC1)N(C)C ZINC001380145772 1152756631 /nfs/dbraw/zinc/75/66/31/1152756631.db2.gz ITZHIUUZZLIWAA-YOEHRIQHSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001362145841 1152834718 /nfs/dbraw/zinc/83/47/18/1152834718.db2.gz DAVYEJMHKZQHTM-YVSFHVDLSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001362145841 1152834719 /nfs/dbraw/zinc/83/47/19/1152834719.db2.gz DAVYEJMHKZQHTM-YVSFHVDLSA-N 1 3 309.498 2.342 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC(C)C)C2 ZINC001380662353 1152840425 /nfs/dbraw/zinc/84/04/25/1152840425.db2.gz WVXWLMGVFGYCBV-BBWFWOEESA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC(C)C)C2 ZINC001380662353 1152840427 /nfs/dbraw/zinc/84/04/27/1152840427.db2.gz WVXWLMGVFGYCBV-BBWFWOEESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001380689297 1152844889 /nfs/dbraw/zinc/84/48/89/1152844889.db2.gz ZMOLIDJZOGANJZ-HOTGVXAUSA-N 1 3 311.514 2.447 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC001362199526 1152848288 /nfs/dbraw/zinc/84/82/88/1152848288.db2.gz JMPRNIBXGOOLGM-HNNXBMFYSA-N 1 3 303.450 2.048 20 0 DEADHO Cc1cccc(CN(CCN(C)C)C(=O)[C@H](C)CC[NH+](C)C)c1 ZINC001362224678 1152854479 /nfs/dbraw/zinc/85/44/79/1152854479.db2.gz UALXDUICXJYCJD-QGZVFWFLSA-N 1 3 319.493 2.473 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@@H]1Cc2ccccc2CN1C(C)C ZINC001381033831 1152895893 /nfs/dbraw/zinc/89/58/93/1152895893.db2.gz QYCPDLYJJZFFAB-SFHVURJKSA-N 1 3 317.477 2.280 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1Cc2ccccc2CN1C(C)C ZINC001381033831 1152895894 /nfs/dbraw/zinc/89/58/94/1152895894.db2.gz QYCPDLYJJZFFAB-SFHVURJKSA-N 1 3 317.477 2.280 20 0 DEADHO C[C@@H](NCc1ccccc1F)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001381418955 1153050905 /nfs/dbraw/zinc/05/09/05/1153050905.db2.gz KUTXXXIMYLVLHL-KGLIPLIRSA-N 1 3 321.440 2.150 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001362840301 1153110902 /nfs/dbraw/zinc/11/09/02/1153110902.db2.gz BTIFLXZWNDXOSX-OAGGEKHMSA-N 1 3 307.482 2.240 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001362840301 1153110904 /nfs/dbraw/zinc/11/09/04/1153110904.db2.gz BTIFLXZWNDXOSX-OAGGEKHMSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CCCF)N(C)C ZINC001381759186 1153210318 /nfs/dbraw/zinc/21/03/18/1153210318.db2.gz PYUWOYAHGZKZCS-JKSUJKDBSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCCC[N@H+]1CCCF)N(C)C ZINC001381759186 1153210324 /nfs/dbraw/zinc/21/03/24/1153210324.db2.gz PYUWOYAHGZKZCS-JKSUJKDBSA-N 1 3 315.477 2.293 20 0 DEADHO CC1CCN(CC(=O)N2[C@H](C)CCC[C@@H]2CC[NH+](C)C)CC1 ZINC001363492731 1153432712 /nfs/dbraw/zinc/43/27/12/1153432712.db2.gz RJGCCQJCEZLZEJ-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CCn1cc(C[NH2+]C2CCC(C)(N3CCOCC3)CC2)cn1 ZINC001363608631 1153484306 /nfs/dbraw/zinc/48/43/06/1153484306.db2.gz LHIBEVSBMCZLQH-UHFFFAOYSA-N 1 3 306.454 2.026 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001363716790 1153575660 /nfs/dbraw/zinc/57/56/60/1153575660.db2.gz KVXHGSAUPHVFPO-HOTGVXAUSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H](CNC(=O)CCC[NH+](C)C)NCc1ccc(Cl)s1 ZINC001402985658 1162600194 /nfs/dbraw/zinc/60/01/94/1162600194.db2.gz TZRKBFOIOWXKSP-LLVKDONJSA-N 1 3 317.886 2.338 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001403015848 1162627863 /nfs/dbraw/zinc/62/78/63/1162627863.db2.gz PDNNUIVFHKXKNG-HZPDHXFCSA-N 1 3 305.466 2.320 20 0 DEADHO CC[C@H](F)CN[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001403067794 1162686632 /nfs/dbraw/zinc/68/66/32/1162686632.db2.gz JYURUDPYAAIJBG-CJNGLKHVSA-N 1 3 309.429 2.204 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001389822109 1155443225 /nfs/dbraw/zinc/44/32/25/1155443225.db2.gz UTWHWNYIJXQODG-RDJZCZTQSA-N 1 3 303.450 2.280 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001389824536 1155443914 /nfs/dbraw/zinc/44/39/14/1155443914.db2.gz HEXPEQRDANYIKU-PBHICJAKSA-N 1 3 321.440 2.417 20 0 DEADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CCc1ccccc1 ZINC001390487071 1155757908 /nfs/dbraw/zinc/75/79/08/1155757908.db2.gz WXQCASYQUJCNTD-MRXNPFEDSA-N 1 3 319.493 2.301 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCCN2C(C)C)cc1 ZINC001371176166 1155761372 /nfs/dbraw/zinc/76/13/72/1155761372.db2.gz IDWZLXZRBAVIOM-FUHWJXTLSA-N 1 3 317.477 2.462 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC001371474599 1155858304 /nfs/dbraw/zinc/85/83/04/1155858304.db2.gz NCLUXFMZFCCXND-ZDUSSCGKSA-N 1 3 311.857 2.275 20 0 DEADHO CC[C@@H](F)CN[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001371539711 1155868854 /nfs/dbraw/zinc/86/88/54/1155868854.db2.gz XENMNRIVQDFMQP-CVEARBPZSA-N 1 3 313.461 2.045 20 0 DEADHO CN(CCNC(=O)CC[NH+](C)C)Cc1ccc(C2CCC2)cc1 ZINC001390811718 1155879029 /nfs/dbraw/zinc/87/90/29/1155879029.db2.gz LUUDFUUFEIVFPY-UHFFFAOYSA-N 1 3 317.477 2.454 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](C)CCc1ccccc1 ZINC001390862412 1155894262 /nfs/dbraw/zinc/89/42/62/1155894262.db2.gz IPNLKBPHXQRIIK-GOSISDBHSA-N 1 3 317.477 2.152 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](C)CCc1ccccc1 ZINC001390862412 1155894264 /nfs/dbraw/zinc/89/42/64/1155894264.db2.gz IPNLKBPHXQRIIK-GOSISDBHSA-N 1 3 317.477 2.152 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](CCC1CC1)C1CC1 ZINC001391201888 1156250861 /nfs/dbraw/zinc/25/08/61/1156250861.db2.gz WQWQUGVNUHCBRZ-QGZVFWFLSA-N 1 3 307.482 2.242 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](CCC1CC1)C1CC1 ZINC001391201888 1156250869 /nfs/dbraw/zinc/25/08/69/1156250869.db2.gz WQWQUGVNUHCBRZ-QGZVFWFLSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@H]1CCCc2ccccc21)N(C)C ZINC001391229114 1156267606 /nfs/dbraw/zinc/26/76/06/1156267606.db2.gz QIUFSUBVXFYLTF-ROUUACIJSA-N 1 3 317.477 2.452 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CC(C)C)C1 ZINC001391364657 1156360383 /nfs/dbraw/zinc/36/03/83/1156360383.db2.gz YZWHRUUSBCXJNN-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC(C)C)C1 ZINC001391364657 1156360389 /nfs/dbraw/zinc/36/03/89/1156360389.db2.gz YZWHRUUSBCXJNN-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccsc2)C1 ZINC001391363995 1156361002 /nfs/dbraw/zinc/36/10/02/1156361002.db2.gz XMBDBCLNGDAMEG-HNNXBMFYSA-N 1 3 323.506 2.369 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccsc2)C1 ZINC001391363995 1156361008 /nfs/dbraw/zinc/36/10/08/1156361008.db2.gz XMBDBCLNGDAMEG-HNNXBMFYSA-N 1 3 323.506 2.369 20 0 DEADHO CC(C)[C@H](C(=O)NCC1C[NH+](CC2CC(C)(C)C2)C1)N(C)C ZINC001391516715 1156484061 /nfs/dbraw/zinc/48/40/61/1156484061.db2.gz NOQLRYXOVWEBRI-MRXNPFEDSA-N 1 3 309.498 2.057 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(C)cc1)N(C)C ZINC001403152231 1162792668 /nfs/dbraw/zinc/79/26/68/1162792668.db2.gz RCULZQLJZNQPOS-NVXWUHKLSA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(C)cc1)N(C)C ZINC001403152231 1162792672 /nfs/dbraw/zinc/79/26/72/1162792672.db2.gz RCULZQLJZNQPOS-NVXWUHKLSA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@H](CNC(=O)[C@@H](CC)N(C)C)[NH2+]Cc1ccccc1C ZINC001391692458 1156700424 /nfs/dbraw/zinc/70/04/24/1156700424.db2.gz AQACATVTIDTNOL-IAGOWNOFSA-N 1 3 305.466 2.320 20 0 DEADHO CC(C)C[NH2+][C@H](CNC(=O)CN1CC[C@H](C)C1)c1ccccc1 ZINC001373031546 1156842165 /nfs/dbraw/zinc/84/21/65/1156842165.db2.gz HAVZCAXWFJPQHA-FUHWJXTLSA-N 1 3 317.477 2.431 20 0 DEADHO CC[C@H](C)C[N@@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001373193510 1156882550 /nfs/dbraw/zinc/88/25/50/1156882550.db2.gz KGCFLMKALSMJRY-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C)C[N@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001373193510 1156882551 /nfs/dbraw/zinc/88/25/51/1156882551.db2.gz KGCFLMKALSMJRY-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)NC[C@H]([NH2+]CCC(F)(F)F)C(C)C)N(C)C ZINC001392248579 1156914797 /nfs/dbraw/zinc/91/47/97/1156914797.db2.gz QKNDMOKSANDLRR-NWDGAFQWSA-N 1 3 311.392 2.009 20 0 DEADHO CN(CC[N@H+](C)CC1CCCCCC1)C(=O)[C@H]1CCCN1C ZINC001392266419 1156946964 /nfs/dbraw/zinc/94/69/64/1156946964.db2.gz SFLOPMAGVCJJOF-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CN(CC[N@@H+](C)CC1CCCCCC1)C(=O)[C@H]1CCCN1C ZINC001392266419 1156946979 /nfs/dbraw/zinc/94/69/79/1156946979.db2.gz SFLOPMAGVCJJOF-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001373407524 1157033677 /nfs/dbraw/zinc/03/36/77/1157033677.db2.gz RMKDGDAHZFGDEN-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001373407524 1157033686 /nfs/dbraw/zinc/03/36/86/1157033686.db2.gz RMKDGDAHZFGDEN-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](C[NH2+]Cc1cccc(Cl)c1)NC(=O)C1(N(C)C)CCC1 ZINC001392567799 1157143870 /nfs/dbraw/zinc/14/38/70/1157143870.db2.gz LYQGNNYUUYGUFN-ZDUSSCGKSA-N 1 3 323.868 2.419 20 0 DEADHO C[C@@H](CN[C@@H](C)c1ccccc1Cl)NC(=O)CC[NH+](C)C ZINC001392597041 1157189389 /nfs/dbraw/zinc/18/93/89/1157189389.db2.gz YTIRVEFVLQZQRW-STQMWFEESA-N 1 3 311.857 2.447 20 0 DEADHO CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)NCc1cncs1 ZINC001373751814 1157339706 /nfs/dbraw/zinc/33/97/06/1157339706.db2.gz DZCARFIKNGCLIS-UKRRQHHQSA-N 1 3 324.494 2.000 20 0 DEADHO CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)NCc1cncs1 ZINC001373751814 1157339713 /nfs/dbraw/zinc/33/97/13/1157339713.db2.gz DZCARFIKNGCLIS-UKRRQHHQSA-N 1 3 324.494 2.000 20 0 DEADHO CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)N2CCCC2)C(C)(C)C1 ZINC001403363148 1162863392 /nfs/dbraw/zinc/86/33/92/1162863392.db2.gz RJXXMTJZRADRAB-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)N2CCCC2)C(C)(C)C1 ZINC001403363148 1162863395 /nfs/dbraw/zinc/86/33/95/1162863395.db2.gz RJXXMTJZRADRAB-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]CCc2cccs2)CCC1)N(C)C ZINC001393565390 1157865565 /nfs/dbraw/zinc/86/55/65/1157865565.db2.gz FDBTZQUECZHRAL-OAHLLOKOSA-N 1 3 323.506 2.259 20 0 DEADHO CCc1ccc(C[N@H+](C)CCN(C)C(=O)[C@@H]2CCCN2C)cc1 ZINC001374471318 1157867402 /nfs/dbraw/zinc/86/74/02/1157867402.db2.gz LQGASMGSQSZEPN-SFHVURJKSA-N 1 3 317.477 2.233 20 0 DEADHO CCc1ccc(C[N@@H+](C)CCN(C)C(=O)[C@@H]2CCCN2C)cc1 ZINC001374471318 1157867406 /nfs/dbraw/zinc/86/74/06/1157867406.db2.gz LQGASMGSQSZEPN-SFHVURJKSA-N 1 3 317.477 2.233 20 0 DEADHO CCc1cccc(C[N@@H+](C)CCN(C)C(=O)[C@@H](CC)N(C)C)c1 ZINC001374552832 1157897583 /nfs/dbraw/zinc/89/75/83/1157897583.db2.gz ZDHRYKDXCVSJFW-GOSISDBHSA-N 1 3 319.493 2.479 20 0 DEADHO CCc1cccc(C[N@H+](C)CCN(C)C(=O)[C@@H](CC)N(C)C)c1 ZINC001374552832 1157897584 /nfs/dbraw/zinc/89/75/84/1157897584.db2.gz ZDHRYKDXCVSJFW-GOSISDBHSA-N 1 3 319.493 2.479 20 0 DEADHO CC(C)CC[NH2+]C1(C)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001393736181 1157939820 /nfs/dbraw/zinc/93/98/20/1157939820.db2.gz LWLZOEPXJMEWNI-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]C[C@H]1CCC(F)(F)C1)N(C)C ZINC001374931693 1158097481 /nfs/dbraw/zinc/09/74/81/1158097481.db2.gz OGCVFDLSUTUQMB-MELADBBJSA-N 1 3 319.440 2.102 20 0 DEADHO C[C@@H](CNCc1ccccc1Cl)NC(=O)C1CC[NH+](C)CC1 ZINC001374931616 1158098062 /nfs/dbraw/zinc/09/80/62/1158098062.db2.gz QOSFZFPFVVPXPV-ZDUSSCGKSA-N 1 3 323.868 2.276 20 0 DEADHO CC[C@H](F)CNC1(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001375434554 1158676636 /nfs/dbraw/zinc/67/66/36/1158676636.db2.gz DFAPPSNYCFUENU-LSDHHAIUSA-N 1 3 313.461 2.093 20 0 DEADHO CC[C@H](F)CNC1(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001375434554 1158676643 /nfs/dbraw/zinc/67/66/43/1158676643.db2.gz DFAPPSNYCFUENU-LSDHHAIUSA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]CC2CC(C)(C)C2)C1 ZINC001394862424 1158817605 /nfs/dbraw/zinc/81/76/05/1158817605.db2.gz UVCHRKBZSVQQPJ-UHFFFAOYSA-N 1 3 309.498 2.342 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)NCCN(CCF)C2CCCCCC2)C1 ZINC001375597655 1158824244 /nfs/dbraw/zinc/82/42/44/1158824244.db2.gz RUDULUCCLKMPHY-OAHLLOKOSA-N 1 3 313.461 2.049 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)NCCN(CCF)C2CCCCCC2)C1 ZINC001375597655 1158824245 /nfs/dbraw/zinc/82/42/45/1158824245.db2.gz RUDULUCCLKMPHY-OAHLLOKOSA-N 1 3 313.461 2.049 20 0 DEADHO C[C@@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)NCc1ccsc1 ZINC001403569557 1163009459 /nfs/dbraw/zinc/00/94/59/1163009459.db2.gz XWDQKOCMOGUSGP-BBRMVZONSA-N 1 3 321.490 2.026 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCc2ccccc2)C1)N(C)C ZINC001376137504 1159157217 /nfs/dbraw/zinc/15/72/17/1159157217.db2.gz ZOYQAHGQVSXTCD-ROUUACIJSA-N 1 3 317.477 2.006 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CCc2ccccc2)C1)N(C)C ZINC001376137504 1159157225 /nfs/dbraw/zinc/15/72/25/1159157225.db2.gz ZOYQAHGQVSXTCD-ROUUACIJSA-N 1 3 317.477 2.006 20 0 DEADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CCc1ccccc1 ZINC001403583635 1163022236 /nfs/dbraw/zinc/02/22/36/1163022236.db2.gz NTEVKMYFKIXAIA-INIZCTEOSA-N 1 3 317.477 2.150 20 0 DEADHO Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)C3(N(C)C)CCC3)C2)cs1 ZINC001376464438 1159449015 /nfs/dbraw/zinc/44/90/15/1159449015.db2.gz LYCRIOWIHJTAQE-GASCZTMLSA-N 1 3 321.490 2.278 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2F)C1)N(C)C ZINC001376469093 1159453521 /nfs/dbraw/zinc/45/35/21/1159453521.db2.gz HLNGMZIONPMXAD-SZOQZIPDSA-N 1 3 321.440 2.464 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(CC)cc2)C1 ZINC001376495737 1159477562 /nfs/dbraw/zinc/47/75/62/1159477562.db2.gz UNWCQJMZYVRZAT-HDICACEKSA-N 1 3 317.477 2.328 20 0 DEADHO Cc1csc(N2CCC([NH2+][C@@H]3CC[C@@H]4CN(C)C[C@H]34)CC2)n1 ZINC001414119033 1159547325 /nfs/dbraw/zinc/54/73/25/1159547325.db2.gz MKSFWNNCMKHOHI-VNQPRFMTSA-N 1 3 320.506 2.350 20 0 DEADHO CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](CC)N(C)C ZINC001376569234 1159549752 /nfs/dbraw/zinc/54/97/52/1159549752.db2.gz CXBCMCYYRFHBSN-QGZVFWFLSA-N 1 3 305.466 2.485 20 0 DEADHO CCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](CC)N(C)C ZINC001376569234 1159549771 /nfs/dbraw/zinc/54/97/71/1159549771.db2.gz CXBCMCYYRFHBSN-QGZVFWFLSA-N 1 3 305.466 2.485 20 0 DEADHO C[C@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)NCc1ccccc1F ZINC001403618336 1163053568 /nfs/dbraw/zinc/05/35/68/1163053568.db2.gz TURGOSRXQNIUDU-HUUCEWRRSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)NCc1ccccc1F ZINC001403618336 1163053575 /nfs/dbraw/zinc/05/35/75/1163053575.db2.gz TURGOSRXQNIUDU-HUUCEWRRSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NCc1ccccc1Cl ZINC001403627197 1163060459 /nfs/dbraw/zinc/06/04/59/1163060459.db2.gz IVWISRVENFOMSK-UKRRQHHQSA-N 1 3 323.868 2.228 20 0 DEADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NCc1ccccc1Cl ZINC001403627197 1163060468 /nfs/dbraw/zinc/06/04/68/1163060468.db2.gz IVWISRVENFOMSK-UKRRQHHQSA-N 1 3 323.868 2.228 20 0 DEADHO C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)NCc1cncs1 ZINC001376874347 1159829251 /nfs/dbraw/zinc/82/92/51/1159829251.db2.gz YDONKDGCGXQOBX-AWEZNQCLSA-N 1 3 324.494 2.004 20 0 DEADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001377049367 1159885786 /nfs/dbraw/zinc/88/57/86/1159885786.db2.gz LTZBCTFSLUJLLX-WMLDXEAASA-N 1 3 323.456 2.459 20 0 DEADHO CC(C)CCCN1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001397040753 1159913663 /nfs/dbraw/zinc/91/36/63/1159913663.db2.gz IBAUMUNLKDWIHF-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CCCN(C)CC(=O)N1CCC(CC)([NH2+]C/C=C/Cl)CC1 ZINC001377122838 1159924792 /nfs/dbraw/zinc/92/47/92/1159924792.db2.gz HGELEUUWKIQDOH-RMKNXTFCSA-N 1 3 315.889 2.442 20 0 DEADHO CCc1ccccc1CN(C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001403670728 1163082538 /nfs/dbraw/zinc/08/25/38/1163082538.db2.gz DNUJOPORUVSQDJ-UHFFFAOYSA-N 1 3 317.477 2.139 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001397178315 1160035049 /nfs/dbraw/zinc/03/50/49/1160035049.db2.gz XRHRQKWZRCWKTA-GOEBONIOSA-N 1 3 323.506 2.464 20 0 DEADHO CCN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)Cc1cccc(F)c1 ZINC001377360613 1160264587 /nfs/dbraw/zinc/26/45/87/1160264587.db2.gz LNUWCPLYLCXZHQ-INIZCTEOSA-N 1 3 321.440 2.106 20 0 DEADHO CCN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)Cc1cccc(F)c1 ZINC001377360613 1160264601 /nfs/dbraw/zinc/26/46/01/1160264601.db2.gz LNUWCPLYLCXZHQ-INIZCTEOSA-N 1 3 321.440 2.106 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+]CCN(C)C(=O)CN(C)C(C)C ZINC001377600007 1160577955 /nfs/dbraw/zinc/57/79/55/1160577955.db2.gz IQQIJGMNXUKWMD-INIZCTEOSA-N 1 3 305.466 2.444 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC001377829039 1160841186 /nfs/dbraw/zinc/84/11/86/1160841186.db2.gz RLOQNCUJNMVOOI-ZIAGYGMSSA-N 1 3 321.440 2.293 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H](C[N@H+](C)C/C=C/Cl)C1 ZINC001398471499 1160905048 /nfs/dbraw/zinc/90/50/48/1160905048.db2.gz UYXQSVKDZWRAQX-PMGBHYCQSA-N 1 3 315.889 2.251 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H](C[N@@H+](C)C/C=C/Cl)C1 ZINC001398471499 1160905055 /nfs/dbraw/zinc/90/50/55/1160905055.db2.gz UYXQSVKDZWRAQX-PMGBHYCQSA-N 1 3 315.889 2.251 20 0 DEADHO CC(C)C[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001398540571 1160960292 /nfs/dbraw/zinc/96/02/92/1160960292.db2.gz PUJAYYPZRUBRJI-QAETUUGQSA-N 1 3 311.514 2.492 20 0 DEADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001398568404 1160985861 /nfs/dbraw/zinc/98/58/61/1160985861.db2.gz AJZVIVGXYRHQBW-ALOPSCKCSA-N 1 3 307.482 2.240 20 0 DEADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001398568404 1160985865 /nfs/dbraw/zinc/98/58/65/1160985865.db2.gz AJZVIVGXYRHQBW-ALOPSCKCSA-N 1 3 307.482 2.240 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CNC(=O)C2(N(C)C)CCC2)cc1C ZINC001398936489 1161157888 /nfs/dbraw/zinc/15/78/88/1161157888.db2.gz BGJXUSXABHQQOE-MRXNPFEDSA-N 1 3 317.477 2.382 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)N(C)C)c(C)c1 ZINC001399089174 1161224791 /nfs/dbraw/zinc/22/47/91/1161224791.db2.gz GLMRUTBWMPQBQX-AEFFLSMTSA-N 1 3 319.493 2.484 20 0 DEADHO CC(C)[C@H](C(=O)NCCN(C)Cc1ccc(CF)cc1)[NH+](C)C ZINC001399635934 1161491007 /nfs/dbraw/zinc/49/10/07/1161491007.db2.gz IZBZZYCDNYTOGA-QGZVFWFLSA-N 1 3 323.456 2.290 20 0 DEADHO Cc1ccccc1CN(C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001399653633 1161503955 /nfs/dbraw/zinc/50/39/55/1161503955.db2.gz HOLAKURPPFFNGC-UHFFFAOYSA-N 1 3 317.477 2.419 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]([NH2+]CC1CC1)c1ccccc1)N(C)C ZINC001400078148 1161647694 /nfs/dbraw/zinc/64/76/94/1161647694.db2.gz DFVFQNIMBVHVPR-MSOLQXFVSA-N 1 3 317.477 2.430 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCC(C)(C)C)C1 ZINC001400237480 1161696218 /nfs/dbraw/zinc/69/62/18/1161696218.db2.gz WWSUGXMJOMUBFW-JKSUJKDBSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001400259101 1161701810 /nfs/dbraw/zinc/70/18/10/1161701810.db2.gz ZPMVFBXUKDQYRN-HNNXBMFYSA-N 1 3 306.454 2.169 20 0 DEADHO CC(C)CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001400259101 1161701811 /nfs/dbraw/zinc/70/18/11/1161701811.db2.gz ZPMVFBXUKDQYRN-HNNXBMFYSA-N 1 3 306.454 2.169 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCC2CC2)C1 ZINC001401300774 1161920468 /nfs/dbraw/zinc/92/04/68/1161920468.db2.gz YWEDTFZLOUPCQM-NVXWUHKLSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[N@H+](C)C/C=C/c1ccccc1)N(C)C ZINC001401751959 1162108531 /nfs/dbraw/zinc/10/85/31/1162108531.db2.gz HPIQVEOEHOENRP-ZODAKWMJSA-N 1 3 317.477 2.477 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[N@@H+](C)C/C=C/c1ccccc1)N(C)C ZINC001401751959 1162108538 /nfs/dbraw/zinc/10/85/38/1162108538.db2.gz HPIQVEOEHOENRP-ZODAKWMJSA-N 1 3 317.477 2.477 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)CC1CC(F)(F)C1)N(C)C ZINC001401802219 1162137394 /nfs/dbraw/zinc/13/73/94/1162137394.db2.gz UOFLWGNICLQCPD-GXTWGEPZSA-N 1 3 319.440 2.054 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CC1CC(F)(F)C1)N(C)C ZINC001401802219 1162137395 /nfs/dbraw/zinc/13/73/95/1162137395.db2.gz UOFLWGNICLQCPD-GXTWGEPZSA-N 1 3 319.440 2.054 20 0 DEADHO Cc1cc(C[NH2+]C2(CNC(=O)CN3CC[C@H](C)C3)CC2)cs1 ZINC001401960596 1162197514 /nfs/dbraw/zinc/19/75/14/1162197514.db2.gz DYTOVMDBNOXRSN-ZDUSSCGKSA-N 1 3 321.490 2.137 20 0 DEADHO CC[C@H](C(=O)NCC1(C)CC[NH+](CC[C@@H](C)F)CC1)N(C)C ZINC001402185572 1162278959 /nfs/dbraw/zinc/27/89/59/1162278959.db2.gz HVZRYRCENUXUBP-HUUCEWRRSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)C1CC[NH+](CCCF)CC1)N(C)C ZINC001404000159 1163364825 /nfs/dbraw/zinc/36/48/25/1163364825.db2.gz AAGDVTLXCUXNGD-GOEBONIOSA-N 1 3 315.477 2.149 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1)N(C)C ZINC001404068294 1163415296 /nfs/dbraw/zinc/41/52/96/1163415296.db2.gz AGLHHMRGPSJFJH-WBVHZDCISA-N 1 3 323.525 2.447 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1)N(C)C ZINC001404068294 1163415314 /nfs/dbraw/zinc/41/53/14/1163415314.db2.gz AGLHHMRGPSJFJH-WBVHZDCISA-N 1 3 323.525 2.447 20 0 DEADHO CC[C@H](C(=O)NCC1C[NH+]([C@@H](C)c2ccccc2C)C1)N(C)C ZINC001404882221 1163846039 /nfs/dbraw/zinc/84/60/39/1163846039.db2.gz HDHJCSMAILMCPA-MAUKXSAKSA-N 1 3 317.477 2.444 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001405670557 1164180014 /nfs/dbraw/zinc/18/00/14/1164180014.db2.gz MIQDPWIPGBKHCI-YOEHRIQHSA-N 1 3 323.456 2.254 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)CNCc1ccccc1F)[NH+](C)C ZINC001406369191 1164556447 /nfs/dbraw/zinc/55/64/47/1164556447.db2.gz WKENAIOQHAPJEK-CJNGLKHVSA-N 1 3 309.429 2.006 20 0 DEADHO C[C@@H](CNCc1ccccc1F)NC(=O)CCC[NH+]1CCCC1 ZINC001406554206 1164674318 /nfs/dbraw/zinc/67/43/18/1164674318.db2.gz DCPGVXLJUDFFDS-HNNXBMFYSA-N 1 3 321.440 2.296 20 0 DEADHO Cc1cc(CN(C)C[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)c(C)s1 ZINC001406713979 1164806165 /nfs/dbraw/zinc/80/61/65/1164806165.db2.gz YYOZJPFVHOUPKW-WFASDCNBSA-N 1 3 323.506 2.253 20 0 DEADHO Cc1cc(CN(C)C[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)c(C)s1 ZINC001406713979 1164806170 /nfs/dbraw/zinc/80/61/70/1164806170.db2.gz YYOZJPFVHOUPKW-WFASDCNBSA-N 1 3 323.506 2.253 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC(C)C ZINC001406721741 1164807605 /nfs/dbraw/zinc/80/76/05/1164807605.db2.gz SYEOWWWSKRVKNZ-HUUCEWRRSA-N 1 3 306.454 2.181 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccsc2)C1 ZINC001407516497 1165178430 /nfs/dbraw/zinc/17/84/30/1165178430.db2.gz GBDOKTIYQTVDAL-ZBFHGGJFSA-N 1 3 323.506 2.417 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccsc2)C1 ZINC001407516489 1165178502 /nfs/dbraw/zinc/17/85/02/1165178502.db2.gz GBDOKTIYQTVDAL-GOEBONIOSA-N 1 3 323.506 2.417 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001407717547 1165270216 /nfs/dbraw/zinc/27/02/16/1165270216.db2.gz ZMLPCTZNLGVOIV-WKILWMFISA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H](F)CC[NH2+]C1(CNC(=O)C(C)(C)N2CCCC2)CCC1 ZINC001407793973 1165314029 /nfs/dbraw/zinc/31/40/29/1165314029.db2.gz WLAWZKRXKBJSCI-CQSZACIVSA-N 1 3 313.461 2.237 20 0 DEADHO CC(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CN(C)C(C)C ZINC001408312331 1165582144 /nfs/dbraw/zinc/58/21/44/1165582144.db2.gz UEUMKJHHUHDIAB-IEBWSBKVSA-N 1 3 317.477 2.354 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001417759024 1167192554 /nfs/dbraw/zinc/19/25/54/1167192554.db2.gz XJDQZKZPDBPLJO-RDJZCZTQSA-N 1 3 303.450 2.232 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001417759023 1167192719 /nfs/dbraw/zinc/19/27/19/1167192719.db2.gz XJDQZKZPDBPLJO-NVXWUHKLSA-N 1 3 303.450 2.232 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC1CC1)C1CC1 ZINC001417975805 1167339742 /nfs/dbraw/zinc/33/97/42/1167339742.db2.gz GRITWLIMNNGCLI-SJORKVTESA-N 1 3 307.482 2.144 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001418062660 1167389270 /nfs/dbraw/zinc/38/92/70/1167389270.db2.gz GODQEBFBHFFTKM-BZUAXINKSA-N 1 3 307.482 2.144 20 0 DEADHO CC[N@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C\Cl ZINC001418090410 1167405859 /nfs/dbraw/zinc/40/58/59/1167405859.db2.gz XOMCINOULKGLKU-WQGCMXFCSA-N 1 3 313.873 2.192 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C\Cl ZINC001418090410 1167405861 /nfs/dbraw/zinc/40/58/61/1167405861.db2.gz XOMCINOULKGLKU-WQGCMXFCSA-N 1 3 313.873 2.192 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001418117666 1167421406 /nfs/dbraw/zinc/42/14/06/1167421406.db2.gz CCCRDGBARKTKKR-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001418117666 1167421414 /nfs/dbraw/zinc/42/14/14/1167421414.db2.gz CCCRDGBARKTKKR-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO C[NH+](C)CCC(=O)N1CCC[C@@H](CNC/C(Cl)=C\Cl)C1 ZINC001418134478 1167432487 /nfs/dbraw/zinc/43/24/87/1167432487.db2.gz ASFQDIUAXANYDM-OXBCTQFSSA-N 1 3 322.280 2.085 20 0 DEADHO C[C@@H](F)CC[N@H+](C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001418370853 1167602802 /nfs/dbraw/zinc/60/28/02/1167602802.db2.gz DFIJMXMAKOOFMS-ZBFHGGJFSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@@H](F)CC[N@@H+](C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001418370853 1167602804 /nfs/dbraw/zinc/60/28/04/1167602804.db2.gz DFIJMXMAKOOFMS-ZBFHGGJFSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@H](c1ccccc1)[N@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001418466148 1167680036 /nfs/dbraw/zinc/68/00/36/1167680036.db2.gz XMPCKUNMNNFNCG-OAHLLOKOSA-N 1 3 303.450 2.280 20 0 DEADHO C[C@H](c1ccccc1)[N@@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001418466148 1167680037 /nfs/dbraw/zinc/68/00/37/1167680037.db2.gz XMPCKUNMNNFNCG-OAHLLOKOSA-N 1 3 303.450 2.280 20 0 DEADHO C[NH+](C)[C@@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C12CCC2 ZINC001418614215 1167843915 /nfs/dbraw/zinc/84/39/15/1167843915.db2.gz HQKZSSVTEWXYOK-LSDHHAIUSA-N 1 3 307.482 2.240 20 0 DEADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC001419064069 1168171224 /nfs/dbraw/zinc/17/12/24/1168171224.db2.gz STAQBSGTFWQNSV-HNNXBMFYSA-N 1 3 307.482 2.240 20 0 DEADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC001419064069 1168171228 /nfs/dbraw/zinc/17/12/28/1168171228.db2.gz STAQBSGTFWQNSV-HNNXBMFYSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001419340187 1168411932 /nfs/dbraw/zinc/41/19/32/1168411932.db2.gz TVOAQSSPTCKDNL-CALCHBBNSA-N 1 3 307.482 2.336 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+]CC[C@@H](C)F)CC1 ZINC001419378930 1168432609 /nfs/dbraw/zinc/43/26/09/1168432609.db2.gz VNXXYYAMBDPDPS-RBSFLKMASA-N 1 3 301.450 2.093 20 0 DEADHO Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)CN(C)C(C)C)C2)cs1 ZINC001419429645 1168468592 /nfs/dbraw/zinc/46/85/92/1168468592.db2.gz JASHBIJGVDFIIM-SHTZXODSSA-N 1 3 309.479 2.134 20 0 DEADHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001419732680 1168825154 /nfs/dbraw/zinc/82/51/54/1168825154.db2.gz GYXIPBZXCKZNQU-RHSMWYFYSA-N 1 3 323.456 2.411 20 0 DEADHO CC(C)[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccsc1 ZINC001419873009 1168885365 /nfs/dbraw/zinc/88/53/65/1168885365.db2.gz BBRMCXLSJUOCNJ-HNNXBMFYSA-N 1 3 323.506 2.463 20 0 DEADHO CC(C)[C@H](CNC(=O)[C@H]1CCCCN1C(C)C)[NH2+]CC1CC1 ZINC001419897041 1168896496 /nfs/dbraw/zinc/89/64/96/1168896496.db2.gz AUIARHSIXHJKRH-DLBZAZTESA-N 1 3 309.498 2.390 20 0 DEADHO CC(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001420759504 1171119745 /nfs/dbraw/zinc/11/97/45/1171119745.db2.gz PQRBYVWWTBKLQK-WBVHZDCISA-N 1 3 311.514 2.445 20 0 DEADHO Cc1ccccc1C[NH2+]C1(CNC(=O)CN(C)C2CCC2)CC1 ZINC001420958538 1171380216 /nfs/dbraw/zinc/38/02/16/1171380216.db2.gz IQBDGSLWLLRXDQ-UHFFFAOYSA-N 1 3 315.461 2.218 20 0 DEADHO CC(C)CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001421207150 1171589682 /nfs/dbraw/zinc/58/96/82/1171589682.db2.gz QMCUFYMOOAXBKT-BZSNNMDCSA-N 1 3 319.493 2.050 20 0 DEADHO CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)NCCF ZINC001421449060 1171804820 /nfs/dbraw/zinc/80/48/20/1171804820.db2.gz HJTVWEZOJFMSSD-GDBMZVCRSA-N 1 3 313.461 2.237 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+]Cc1cccc(F)c1 ZINC001421764244 1171976942 /nfs/dbraw/zinc/97/69/42/1171976942.db2.gz HGDRZNLKYNNBGB-AWEZNQCLSA-N 1 3 309.429 2.008 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1C)N(C)C ZINC001422515359 1172668655 /nfs/dbraw/zinc/66/86/55/1172668655.db2.gz ADWGVIZJHNKPKW-DOTOQJQBSA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1C)N(C)C ZINC001422515359 1172668659 /nfs/dbraw/zinc/66/86/59/1172668659.db2.gz ADWGVIZJHNKPKW-DOTOQJQBSA-N 1 3 305.466 2.272 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[N@H+](C)CCC1CC1 ZINC001422520619 1172671505 /nfs/dbraw/zinc/67/15/05/1172671505.db2.gz OEODUZUGGFYWMB-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[N@@H+](C)CCC1CC1 ZINC001422520619 1172671514 /nfs/dbraw/zinc/67/15/14/1172671514.db2.gz OEODUZUGGFYWMB-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N(C)Cc1ccc(F)cc1 ZINC001422569091 1172717866 /nfs/dbraw/zinc/71/78/66/1172717866.db2.gz SRZJAPZRBWUMHF-CQSZACIVSA-N 1 3 321.440 2.104 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001422620129 1172768415 /nfs/dbraw/zinc/76/84/15/1172768415.db2.gz ZGHVPHGNDXWHFG-HZPDHXFCSA-N 1 3 305.466 2.491 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CC1CCCC1 ZINC001422838289 1172881873 /nfs/dbraw/zinc/88/18/73/1172881873.db2.gz SJJCGHOGVNDKOX-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC1CCCC1 ZINC001422838289 1172881875 /nfs/dbraw/zinc/88/18/75/1172881875.db2.gz SJJCGHOGVNDKOX-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)N1CCC([N@H+](C)C/C=C/Cl)CC1)N(C)C ZINC001422935231 1172957016 /nfs/dbraw/zinc/95/70/16/1172957016.db2.gz MWFNNIFLFCVWBN-VIIAAUOXSA-N 1 3 301.862 2.002 20 0 DEADHO CC[C@H](C(=O)N1CCC([N@@H+](C)C/C=C/Cl)CC1)N(C)C ZINC001422935231 1172957023 /nfs/dbraw/zinc/95/70/23/1172957023.db2.gz MWFNNIFLFCVWBN-VIIAAUOXSA-N 1 3 301.862 2.002 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)C1CC1)N(C)C ZINC001423037160 1173033385 /nfs/dbraw/zinc/03/33/85/1173033385.db2.gz DSRZDUMOBZROEJ-JKSUJKDBSA-N 1 3 309.498 2.247 20 0 DEADHO Cc1cc(C)c(CN2CC[C@@H]2CNC(=O)CC[NH+](C)C)c(C)c1 ZINC001423117978 1173090351 /nfs/dbraw/zinc/09/03/51/1173090351.db2.gz TWTFXAMRVDEHNJ-QGZVFWFLSA-N 1 3 317.477 2.254 20 0 DEADHO C[C@H](F)CC[NH2+]C1(CNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001423306713 1173222360 /nfs/dbraw/zinc/22/23/60/1173222360.db2.gz JLGYNOYGABYZMZ-AWEZNQCLSA-N 1 3 321.440 2.348 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)CN1C(=O)CN(C)C1CCC1 ZINC001423340761 1173264153 /nfs/dbraw/zinc/26/41/53/1173264153.db2.gz XCJHUOCFPCSMFA-NWDGAFQWSA-N 1 3 321.387 2.002 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C1CC([NH2+]Cc2ccccc2)C1)N(C)C ZINC001423682044 1173487212 /nfs/dbraw/zinc/48/72/12/1173487212.db2.gz KFPXHXUXGNUFJI-DAWZGUTISA-N 1 3 317.477 2.352 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]CC2CC(F)(F)C2)CCC1 ZINC001424218781 1173704745 /nfs/dbraw/zinc/70/47/45/1173704745.db2.gz FBQZONQNYQIQQA-UHFFFAOYSA-N 1 3 317.424 2.002 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]CC1CC1)C1CC1 ZINC001425504610 1174343361 /nfs/dbraw/zinc/34/33/61/1174343361.db2.gz HTHFXVZZYYJZGZ-QZTJIDSGSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001425960057 1174538926 /nfs/dbraw/zinc/53/89/26/1174538926.db2.gz QCOPNJZFURCKKX-CVEARBPZSA-N 1 3 309.498 2.391 20 0 DEADHO CCC[N@H+](CC)CCNC(=O)N1CCN(C(C)(C)CC)CC1 ZINC001427042818 1174926090 /nfs/dbraw/zinc/92/60/90/1174926090.db2.gz YGOWXMBXWVYGIQ-UHFFFAOYSA-N 1 3 312.502 2.234 20 0 DEADHO CCC[N@@H+](CC)CCNC(=O)N1CCN(C(C)(C)CC)CC1 ZINC001427042818 1174926094 /nfs/dbraw/zinc/92/60/94/1174926094.db2.gz YGOWXMBXWVYGIQ-UHFFFAOYSA-N 1 3 312.502 2.234 20 0 DEADHO CC(C)N1CCC([NH2+]Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC001434499247 1178676612 /nfs/dbraw/zinc/67/66/12/1178676612.db2.gz KDHIXSDHUAIYJE-UHFFFAOYSA-N 1 3 317.412 2.369 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC[C@H](C)F)C1 ZINC001436344935 1179055347 /nfs/dbraw/zinc/05/53/47/1179055347.db2.gz NSRVNAQXYAHJFH-CAOSSQGBSA-N 1 3 313.461 2.092 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]2C[N@H+](CCC3CC3)CC[C@H]21 ZINC001436939097 1179311158 /nfs/dbraw/zinc/31/11/58/1179311158.db2.gz AGVUUYDINKFJQK-QZTJIDSGSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]2C[N@@H+](CCC3CC3)CC[C@H]21 ZINC001436939097 1179311165 /nfs/dbraw/zinc/31/11/65/1179311165.db2.gz AGVUUYDINKFJQK-QZTJIDSGSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@H](CCNC(=O)[C@@H]1CCCN1C)[NH2+]Cc1ccccc1Cl ZINC001437375836 1179772477 /nfs/dbraw/zinc/77/24/77/1179772477.db2.gz PBQUJGWYDIPGBR-CJNGLKHVSA-N 1 3 323.868 2.419 20 0 DEADHO CC(C)C[N@H+](C)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001437992107 1180142513 /nfs/dbraw/zinc/14/25/13/1180142513.db2.gz FRHCYVIWYSFZJG-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[N@@H+](C)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001437992107 1180142520 /nfs/dbraw/zinc/14/25/20/1180142520.db2.gz FRHCYVIWYSFZJG-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001437991021 1180142893 /nfs/dbraw/zinc/14/28/93/1180142893.db2.gz ORQPIQDSRUHPFU-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001437991021 1180142901 /nfs/dbraw/zinc/14/29/01/1180142901.db2.gz ORQPIQDSRUHPFU-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@H](C[NH2+]Cc1ccccc1)N(C)C(=O)CN(C)C1CCC1 ZINC001438652292 1180728986 /nfs/dbraw/zinc/72/89/86/1180728986.db2.gz NHICMCHGJCKRME-HNNXBMFYSA-N 1 3 303.450 2.107 20 0 DEADHO C[C@@H]([NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1)c1ccccc1 ZINC001439212956 1180942903 /nfs/dbraw/zinc/94/29/03/1180942903.db2.gz FNRSBFQJGZGNCO-LSDHHAIUSA-N 1 3 303.450 2.326 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCc2ccccc21)N(C)C ZINC001439251353 1180967643 /nfs/dbraw/zinc/96/76/43/1180967643.db2.gz GDIBCGNFBZLOEZ-JQFCIGGWSA-N 1 3 303.450 2.108 20 0 DEADHO C[C@@H](CNCc1ccns1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001439259656 1180973783 /nfs/dbraw/zinc/97/37/83/1180973783.db2.gz ZOSQIKCQMQXTRX-KBPBESRZSA-N 1 3 324.494 2.002 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1C ZINC001439396640 1181069975 /nfs/dbraw/zinc/06/99/75/1181069975.db2.gz AYDONXXXGUAKBZ-INIZCTEOSA-N 1 3 305.466 2.273 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1C ZINC001439396640 1181069979 /nfs/dbraw/zinc/06/99/79/1181069979.db2.gz AYDONXXXGUAKBZ-INIZCTEOSA-N 1 3 305.466 2.273 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NC[C@H]1CC[N@@H+]1CC1CCCC1 ZINC001439535008 1181130634 /nfs/dbraw/zinc/13/06/34/1181130634.db2.gz HSYXIXKQMXOLFD-HZPDHXFCSA-N 1 3 313.461 2.047 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NC[C@H]1CC[N@H+]1CC1CCCC1 ZINC001439535008 1181130638 /nfs/dbraw/zinc/13/06/38/1181130638.db2.gz HSYXIXKQMXOLFD-HZPDHXFCSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]Cc2cccc(Cl)c2)CC1)N(C)C ZINC001439625903 1181173635 /nfs/dbraw/zinc/17/36/35/1181173635.db2.gz VWBIFQTVOAOIFV-OAHLLOKOSA-N 1 3 323.868 2.419 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001439783737 1181233254 /nfs/dbraw/zinc/23/32/54/1181233254.db2.gz RYIIURDUELKYFV-KRWDZBQOSA-N 1 3 321.440 2.247 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001440136012 1181364597 /nfs/dbraw/zinc/36/45/97/1181364597.db2.gz MSGBBNKAVSVBFW-DOTOQJQBSA-N 1 3 323.525 2.447 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCCN(C/C=C\Cl)CC1 ZINC001440396339 1181479279 /nfs/dbraw/zinc/47/92/79/1181479279.db2.gz HWYFMHOPZBSRTH-HMZQOCAUSA-N 1 3 315.889 2.442 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(C/C=C\Cl)CC1 ZINC001440396339 1181479286 /nfs/dbraw/zinc/47/92/86/1181479286.db2.gz HWYFMHOPZBSRTH-HMZQOCAUSA-N 1 3 315.889 2.442 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)CC1)N(C)C ZINC001440399395 1181483107 /nfs/dbraw/zinc/48/31/07/1181483107.db2.gz YDAUPKLVBVPOBT-ZWKOTPCHSA-N 1 3 317.477 2.498 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1)N(C)C ZINC001440399395 1181483113 /nfs/dbraw/zinc/48/31/13/1181483113.db2.gz YDAUPKLVBVPOBT-ZWKOTPCHSA-N 1 3 317.477 2.498 20 0 DEADHO CC(C)C[NH2+][C@@H](C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001440669621 1181635872 /nfs/dbraw/zinc/63/58/72/1181635872.db2.gz CMCNRHFRFTXQJJ-YOEHRIQHSA-N 1 3 315.477 2.339 20 0 DEADHO CC[C@H](C(=O)NC1CC(C[NH2+]CC2CCCCC2)C1)N(C)C ZINC001440762145 1181679296 /nfs/dbraw/zinc/67/92/96/1181679296.db2.gz UJJLAOKWEZNRBV-OFLPRAFFSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]([NH2+]Cc1cccc(F)c1)C1CC1 ZINC001441294097 1181933411 /nfs/dbraw/zinc/93/34/11/1181933411.db2.gz HJXRGFKDTRZMEA-QGZVFWFLSA-N 1 3 321.440 2.150 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]CC(C)C)C1CC1 ZINC001441431762 1181991771 /nfs/dbraw/zinc/99/17/71/1181991771.db2.gz JRACILGFUHRQMH-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)NCc1ccccc1F)[NH+](C)C ZINC001441534600 1182045042 /nfs/dbraw/zinc/04/50/42/1182045042.db2.gz HFUMXVOYCPODEP-YOEHRIQHSA-N 1 3 323.456 2.348 20 0 DEADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccsc1 ZINC001441540588 1182049600 /nfs/dbraw/zinc/04/96/00/1182049600.db2.gz RJSSTVINHXKOEJ-CYBMUJFWSA-N 1 3 309.479 2.169 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccsc2)C[C@H]1C ZINC001441839370 1182207735 /nfs/dbraw/zinc/20/77/35/1182207735.db2.gz QNIZKZNGCBASJP-HIFRSBDPSA-N 1 3 309.479 2.167 20 0 DEADHO CC(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001442199135 1182363603 /nfs/dbraw/zinc/36/36/03/1182363603.db2.gz QPYGDQYCDSPOCR-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001442199135 1182363608 /nfs/dbraw/zinc/36/36/08/1182363608.db2.gz QPYGDQYCDSPOCR-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CCN(Cc2ccsc2)C1 ZINC001442908827 1182788916 /nfs/dbraw/zinc/78/89/16/1182788916.db2.gz QIHIKSVEICTFIT-HNNXBMFYSA-N 1 3 323.506 2.418 20 0 DEADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCN(Cc2ccsc2)C1 ZINC001442908827 1182788923 /nfs/dbraw/zinc/78/89/23/1182788923.db2.gz QIHIKSVEICTFIT-HNNXBMFYSA-N 1 3 323.506 2.418 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCC(F)(F)F)[C@@H](C)C1 ZINC001444792985 1183556240 /nfs/dbraw/zinc/55/62/40/1183556240.db2.gz RWRNJXMIUVZSCG-QWHCGFSZSA-N 1 3 323.403 2.107 20 0 DEADHO CN(CC[N@H+](C)CC1CCCCCC1)C(=O)CN1CCCC1 ZINC001445090147 1183767240 /nfs/dbraw/zinc/76/72/40/1183767240.db2.gz YXBIBXSEMYRWJH-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CN(CC[N@@H+](C)CC1CCCCCC1)C(=O)CN1CCCC1 ZINC001445090147 1183767244 /nfs/dbraw/zinc/76/72/44/1183767244.db2.gz YXBIBXSEMYRWJH-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001445402550 1183862603 /nfs/dbraw/zinc/86/26/03/1183862603.db2.gz OGCVFDLSUTUQMB-MCIONIFRSA-N 1 3 319.440 2.102 20 0 DEADHO CCc1cccc(CN2CC[C@](C)(NC(=O)CC[NH+](C)C)C2)c1 ZINC001446553973 1184409819 /nfs/dbraw/zinc/40/98/19/1184409819.db2.gz DDJNHIWPZNZYOU-IBGZPJMESA-N 1 3 317.477 2.281 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](CCC2CC2)CC1(C)C ZINC001447585354 1184818223 /nfs/dbraw/zinc/81/82/23/1184818223.db2.gz GGELGLAQNIIFAO-MRXNPFEDSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](CCC2CC2)CC1(C)C ZINC001447585354 1184818225 /nfs/dbraw/zinc/81/82/25/1184818225.db2.gz GGELGLAQNIIFAO-MRXNPFEDSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](CNC(=O)CC[NH+](C)C)N(C)C/C=C/c1ccccc1 ZINC001448082819 1185063984 /nfs/dbraw/zinc/06/39/84/1185063984.db2.gz HWDGXZOKNNBPQY-YCABEKBOSA-N 1 3 303.450 2.088 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(CF)cc1 ZINC001448147738 1185099213 /nfs/dbraw/zinc/09/92/13/1185099213.db2.gz ZCJIHMRABAMVPR-OAHLLOKOSA-N 1 3 323.456 2.433 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(CF)cc1 ZINC001448147738 1185099220 /nfs/dbraw/zinc/09/92/20/1185099220.db2.gz ZCJIHMRABAMVPR-OAHLLOKOSA-N 1 3 323.456 2.433 20 0 DEADHO CC[C@@H](C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001448434697 1185225420 /nfs/dbraw/zinc/22/54/20/1185225420.db2.gz HZHUURPUTDDYMV-VQHPVUNQSA-N 1 3 321.509 2.201 20 0 DEADHO CC[C@@H](C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001448434697 1185225428 /nfs/dbraw/zinc/22/54/28/1185225428.db2.gz HZHUURPUTDDYMV-VQHPVUNQSA-N 1 3 321.509 2.201 20 0 DEADHO CCC(CC)C[N@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001448548681 1185287236 /nfs/dbraw/zinc/28/72/36/1185287236.db2.gz VFIGXCRHKZSTDY-UHFFFAOYSA-N 1 3 306.454 2.311 20 0 DEADHO CCC(CC)C[N@@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001448548681 1185287243 /nfs/dbraw/zinc/28/72/43/1185287243.db2.gz VFIGXCRHKZSTDY-UHFFFAOYSA-N 1 3 306.454 2.311 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2)[C@H]1C ZINC001448966873 1185464437 /nfs/dbraw/zinc/46/44/37/1185464437.db2.gz BSDOOBQIMHWPJH-PBHICJAKSA-N 1 3 321.440 2.245 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC=C(Cl)Cl)[C@@H]1C ZINC001448973199 1185467328 /nfs/dbraw/zinc/46/73/28/1185467328.db2.gz FHHRQYVMHDKXPD-NWDGAFQWSA-N 1 3 322.280 2.226 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC=C(Cl)Cl)[C@@H]1C ZINC001448973199 1185467331 /nfs/dbraw/zinc/46/73/31/1185467331.db2.gz FHHRQYVMHDKXPD-NWDGAFQWSA-N 1 3 322.280 2.226 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C1CC[NH+](CCC2CC2)CC1 ZINC001449354010 1185672064 /nfs/dbraw/zinc/67/20/64/1185672064.db2.gz MNYLASDFXSKYLD-CYBMUJFWSA-N 1 3 318.465 2.277 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001370510075 1149802538 /nfs/dbraw/zinc/80/25/38/1149802538.db2.gz BXGBTBXZDZWZNZ-BRWVUGGUSA-N 1 3 321.440 2.149 20 0 DEADHO C[NH+](C)CCCN1CCN([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168440623 782349885 /nfs/dbraw/zinc/34/98/85/782349885.db2.gz KJRGIHCWCGHHDH-LJQANCHMSA-N 1 3 319.468 2.252 20 0 DEADHO CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001106666822 782840850 /nfs/dbraw/zinc/84/08/50/782840850.db2.gz WWOOPYFBCOTNSP-KZNAEPCWSA-N 1 3 323.525 2.449 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CC[N@H+](CCC(C)(C)C)C2 ZINC001072979933 790351055 /nfs/dbraw/zinc/35/10/55/790351055.db2.gz RJFUZGMYTFDSSX-MRXNPFEDSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CC[N@@H+](CCC(C)(C)C)C2 ZINC001072979933 790351070 /nfs/dbraw/zinc/35/10/70/790351070.db2.gz RJFUZGMYTFDSSX-MRXNPFEDSA-N 1 3 321.509 2.441 20 0 DEADHO Clc1cc(-n2ccnc2[C@@H]2CCC[NH2+]C2)c2c(n1)CNCC2 ZINC001167057290 776560307 /nfs/dbraw/zinc/56/03/07/776560307.db2.gz UGFUXAAVDFVYFD-LLVKDONJSA-N 1 3 317.824 2.033 20 0 DEADHO CC[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001075366745 776743260 /nfs/dbraw/zinc/74/32/60/776743260.db2.gz IIQNLLIGHDXUEN-CVEARBPZSA-N 1 3 317.477 2.456 20 0 DEADHO CC[NH2+]C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001075367643 776746159 /nfs/dbraw/zinc/74/61/59/776746159.db2.gz VVUOUASAKXSGDG-QAPCUYQASA-N 1 3 317.477 2.456 20 0 DEADHO CC[NH2+]C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001075367641 776746643 /nfs/dbraw/zinc/74/66/43/776746643.db2.gz VVUOUASAKXSGDG-CRAIPNDOSA-N 1 3 317.477 2.456 20 0 DEADHO CC(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001104291948 776949195 /nfs/dbraw/zinc/94/91/95/776949195.db2.gz AVCYDUDPKUSXGP-KBAYOESNSA-N 1 3 323.525 2.447 20 0 DEADHO CC(C)=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001104292324 776950688 /nfs/dbraw/zinc/95/06/88/776950688.db2.gz VCTASNYESJOJQF-NXHRZFHOSA-N 1 3 321.509 2.367 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCC2)C1)N(C)C ZINC001104319370 777043080 /nfs/dbraw/zinc/04/30/80/777043080.db2.gz QDOXSTHSLRDCRO-NXHRZFHOSA-N 1 3 323.525 2.447 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1cncs1 ZINC001167636604 777412792 /nfs/dbraw/zinc/41/27/92/777412792.db2.gz WCNNYFJNVMGVOU-HNNXBMFYSA-N 1 3 324.494 2.002 20 0 DEADHO CC/C=C\CC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001100647166 777570520 /nfs/dbraw/zinc/57/05/20/777570520.db2.gz HDCIFOZIYKTKKN-QDESCDCYSA-N 1 3 309.498 2.413 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]CCCCCF)C1 ZINC001100675929 777675702 /nfs/dbraw/zinc/67/57/02/777675702.db2.gz CZGIZUGUZHYFDE-FHERZECASA-N 1 3 313.461 2.095 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3nc[nH]c3C)C(C)(C)[C@H]21 ZINC001087316525 777777041 /nfs/dbraw/zinc/77/70/41/777777041.db2.gz SWIJEHDKXANWKG-COXVUDFISA-N 1 3 318.465 2.276 20 0 DEADHO CCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3nc[nH]c3C)C(C)(C)[C@H]21 ZINC001087316525 777777045 /nfs/dbraw/zinc/77/70/45/777777045.db2.gz SWIJEHDKXANWKG-COXVUDFISA-N 1 3 318.465 2.276 20 0 DEADHO CC[C@H](C)C[NH2+]CC[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001104809679 778191689 /nfs/dbraw/zinc/19/16/89/778191689.db2.gz NDVAAVKUGRWNPX-GVDBMIGSSA-N 1 3 311.514 2.449 20 0 DEADHO CC[NH+](CC)CCC[C@@H](C)N1CCN(C[C@@H]2CCCO2)CC1 ZINC001167824672 778667043 /nfs/dbraw/zinc/66/70/43/778667043.db2.gz FAKQEKNJAWZFHO-MSOLQXFVSA-N 1 3 311.514 2.294 20 0 DEADHO CC[NH+](CC)CCC[C@H](C)N1CCN(C[C@@H]2CCCO2)CC1 ZINC001167824674 778667146 /nfs/dbraw/zinc/66/71/46/778667146.db2.gz FAKQEKNJAWZFHO-ROUUACIJSA-N 1 3 311.514 2.294 20 0 DEADHO CC[NH+](CC)CCC[C@H](C)N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001167827040 778670314 /nfs/dbraw/zinc/67/03/14/778670314.db2.gz RRSPFXSJSSOQAP-YTQUADARSA-N 1 3 323.525 2.292 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](C(C)C)CC[C@@H]2C1 ZINC001088129792 779718269 /nfs/dbraw/zinc/71/82/69/779718269.db2.gz GHSXWUMOKBFRAX-FGTMMUONSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](C(C)C)CC[C@@H]2C1 ZINC001088129792 779718276 /nfs/dbraw/zinc/71/82/76/779718276.db2.gz GHSXWUMOKBFRAX-FGTMMUONSA-N 1 3 321.509 2.438 20 0 DEADHO CNC(=O)CCN(C)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168055403 779722779 /nfs/dbraw/zinc/72/27/79/779722779.db2.gz VUZMCONCYFNSOO-HOTGVXAUSA-N 1 3 317.477 2.496 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCCCC[C@@H](NCCF)C1 ZINC001088330413 779972002 /nfs/dbraw/zinc/97/20/02/779972002.db2.gz YPPCHECFUKJCKL-HZPDHXFCSA-N 1 3 313.461 2.191 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCCCC[C@@H](NCCF)C1 ZINC001088330413 779972007 /nfs/dbraw/zinc/97/20/07/779972007.db2.gz YPPCHECFUKJCKL-HZPDHXFCSA-N 1 3 313.461 2.191 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001076086261 781110208 /nfs/dbraw/zinc/11/02/08/781110208.db2.gz WFERSVZNBNRFJF-KSZLIROESA-N 1 3 319.493 2.194 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001076086261 781110214 /nfs/dbraw/zinc/11/02/14/781110214.db2.gz WFERSVZNBNRFJF-KSZLIROESA-N 1 3 319.493 2.194 20 0 DEADHO O=C1OCCCN1C1CC[NH+](C2CCN(CC3CC3)CC2)CC1 ZINC001168394755 781787932 /nfs/dbraw/zinc/78/79/32/781787932.db2.gz GBTCHADLYVRPPX-UHFFFAOYSA-N 1 3 321.465 2.168 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC ZINC001089645865 783317223 /nfs/dbraw/zinc/31/72/23/783317223.db2.gz BVNIKDVLKKVBCY-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC ZINC001089645865 783317233 /nfs/dbraw/zinc/31/72/33/783317233.db2.gz BVNIKDVLKKVBCY-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000948244985 783390509 /nfs/dbraw/zinc/39/05/09/783390509.db2.gz MCOVMGWNCFUKOU-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000948244985 783390513 /nfs/dbraw/zinc/39/05/13/783390513.db2.gz MCOVMGWNCFUKOU-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCC(C)(C)C)[C@H](C)C1 ZINC001106910547 783417882 /nfs/dbraw/zinc/41/78/82/783417882.db2.gz CMSACVYOVXRCCU-HZPDHXFCSA-N 1 3 311.514 2.449 20 0 DEADHO CC(C)[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001089820016 783479016 /nfs/dbraw/zinc/47/90/16/783479016.db2.gz KAGKTSCYWAAPPJ-OWLYRPNTSA-N 1 3 319.493 2.048 20 0 DEADHO CC(C)[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001089820016 783479025 /nfs/dbraw/zinc/47/90/25/783479025.db2.gz KAGKTSCYWAAPPJ-OWLYRPNTSA-N 1 3 319.493 2.048 20 0 DEADHO CC(C)=CCN1CC[C@@H]1CN(C)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085699068 783980756 /nfs/dbraw/zinc/98/07/56/783980756.db2.gz FGZXKWYUGVAMLA-MRXNPFEDSA-N 1 3 312.417 2.447 20 0 DEADHO CC(C)N1CC[C@@H]1CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001085820262 784108486 /nfs/dbraw/zinc/10/84/86/784108486.db2.gz VFFMPUXLQGHCBV-GOSISDBHSA-N 1 3 317.477 2.345 20 0 DEADHO CC1CC(C[N@H+](C)C[C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001074073122 791040562 /nfs/dbraw/zinc/04/05/62/791040562.db2.gz KTOLOFVISRFXJG-VMBOVVBDSA-N 1 3 318.465 2.311 20 0 DEADHO CC1CC(C[N@@H+](C)C[C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001074073122 791040576 /nfs/dbraw/zinc/04/05/76/791040576.db2.gz KTOLOFVISRFXJG-VMBOVVBDSA-N 1 3 318.465 2.311 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CC2)C1 ZINC001086382508 784634234 /nfs/dbraw/zinc/63/42/34/784634234.db2.gz LAJZLFGKWBFGRR-ULQDDVLXSA-N 1 3 307.482 2.145 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CC2CCCCC2)C1)C1CC1 ZINC000968915690 784648850 /nfs/dbraw/zinc/64/88/50/784648850.db2.gz NNRMOICGFRZAPB-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCc2ccc(C)cc2)C1)N(C)C ZINC000969074655 784716195 /nfs/dbraw/zinc/71/61/95/784716195.db2.gz MVHAUDCWELHHPV-QZTJIDSGSA-N 1 3 317.477 2.068 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1)N(C)C ZINC000969077002 784716276 /nfs/dbraw/zinc/71/62/76/784716276.db2.gz IBPARGIVZFBATC-IAGOWNOFSA-N 1 3 321.509 2.488 20 0 DEADHO CN(CCCNC(=O)OC(C)(C)C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169131144 785049438 /nfs/dbraw/zinc/04/94/38/785049438.db2.gz QHDQIYOCHFBIRL-QDMKHBRRSA-N 1 3 311.470 2.458 20 0 DEADHO CN(CCCNC(=O)OC(C)(C)C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169131144 785049443 /nfs/dbraw/zinc/04/94/43/785049443.db2.gz QHDQIYOCHFBIRL-QDMKHBRRSA-N 1 3 311.470 2.458 20 0 DEADHO CC(C)C(=O)N1CCC[C@@]12CCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169136831 785052796 /nfs/dbraw/zinc/05/27/96/785052796.db2.gz AGRSMDDFKZHSNI-ZMMAXQRCSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)C(=O)N1CCC[C@@]12CCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169136831 785052801 /nfs/dbraw/zinc/05/28/01/785052801.db2.gz AGRSMDDFKZHSNI-ZMMAXQRCSA-N 1 3 319.493 2.335 20 0 DEADHO CCN1CCC([NH2+]Cc2cccc(CN3CCOCC3)c2)CC1 ZINC001169221470 785091957 /nfs/dbraw/zinc/09/19/57/785091957.db2.gz HIIOTDOHHDFNBM-UHFFFAOYSA-N 1 3 317.477 2.093 20 0 DEADHO CC[NH+]1CCC(NCc2cccc(CN3CCOCC3)c2)CC1 ZINC001169221470 785091965 /nfs/dbraw/zinc/09/19/65/785091965.db2.gz HIIOTDOHHDFNBM-UHFFFAOYSA-N 1 3 317.477 2.093 20 0 DEADHO CCOC(=O)[C@H]1CC[C@H](NC2CC[NH+](C3CCCC3)CC2)CO1 ZINC001169350173 785143751 /nfs/dbraw/zinc/14/37/51/785143751.db2.gz SXGKWIBMYGWKCY-DOTOQJQBSA-N 1 3 324.465 2.094 20 0 DEADHO CC(=O)N1CCC[C@@H]([N@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)C1 ZINC001169625935 785269146 /nfs/dbraw/zinc/26/91/46/785269146.db2.gz PONQDFGWJVVMLN-OKZBNKHCSA-N 1 3 307.482 2.336 20 0 DEADHO CC(=O)N1CCC[C@@H]([N@@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)C1 ZINC001169625935 785269154 /nfs/dbraw/zinc/26/91/54/785269154.db2.gz PONQDFGWJVVMLN-OKZBNKHCSA-N 1 3 307.482 2.336 20 0 DEADHO CC(=O)N1CCC[C@@H](N2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)C1 ZINC001169625935 785269163 /nfs/dbraw/zinc/26/91/63/785269163.db2.gz PONQDFGWJVVMLN-OKZBNKHCSA-N 1 3 307.482 2.336 20 0 DEADHO CC(=O)N1CCC[C@@H](N2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)C1 ZINC001169625935 785269170 /nfs/dbraw/zinc/26/91/70/785269170.db2.gz PONQDFGWJVVMLN-OKZBNKHCSA-N 1 3 307.482 2.336 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCCN(CCCF)C2)CC1 ZINC001009051239 785370682 /nfs/dbraw/zinc/37/06/82/785370682.db2.gz PJSCMZFTQJRYGA-MRXNPFEDSA-N 1 3 313.461 2.047 20 0 DEADHO CCC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)CN(C)C(C)C)[C@@H]2C1 ZINC001115304274 785385070 /nfs/dbraw/zinc/38/50/70/785385070.db2.gz PUUZWEHZIZLRPK-ZOQIZTMWSA-N 1 3 307.482 2.119 20 0 DEADHO CCC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)CN(C)C(C)C)[C@@H]2C1 ZINC001115304274 785385075 /nfs/dbraw/zinc/38/50/75/785385075.db2.gz PUUZWEHZIZLRPK-ZOQIZTMWSA-N 1 3 307.482 2.119 20 0 DEADHO CN(C)C1(C(=O)NCC[NH2+]CCCCc2ccccc2)CCC1 ZINC001129357492 785499937 /nfs/dbraw/zinc/49/99/37/785499937.db2.gz MJVSVQSOXACYMW-UHFFFAOYSA-N 1 3 317.477 2.199 20 0 DEADHO CC(C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CC(C)(C)C)C2 ZINC001108764464 785531373 /nfs/dbraw/zinc/53/13/73/785531373.db2.gz MXUCKXCNBYFHHD-XHSDSOJGSA-N 1 3 309.498 2.342 20 0 DEADHO CC[C@H]([NH2+]CCNC(=O)C1(N(C)C)CCC1)c1ccc(F)cc1 ZINC001129363080 785533582 /nfs/dbraw/zinc/53/35/82/785533582.db2.gz FLZGLPNGRBGIHK-INIZCTEOSA-N 1 3 321.440 2.467 20 0 DEADHO C[C@H](CCCC[NH2+]C/C=C\Cl)NC(=O)[C@@H](C1CC1)N(C)C ZINC001171248951 791126235 /nfs/dbraw/zinc/12/62/35/791126235.db2.gz ZGZSLUTVBJCHDU-NFNYYWLXSA-N 1 3 315.889 2.344 20 0 DEADHO CN1CCCC[C@H]1c1ccc(-n2nnc3ccc(C[NH3+])cc32)nc1 ZINC001170021948 786061056 /nfs/dbraw/zinc/06/10/56/786061056.db2.gz ITAVIAOJPLQJMW-INIZCTEOSA-N 1 3 322.416 2.431 20 0 DEADHO CN1CCCC[C@@H]1c1ccc(-n2nnc3ccc(C[NH3+])cc32)nc1 ZINC001170021949 786061488 /nfs/dbraw/zinc/06/14/88/786061488.db2.gz ITAVIAOJPLQJMW-MRXNPFEDSA-N 1 3 322.416 2.431 20 0 DEADHO C[NH+](C)CCCC(=O)N1CCN(CC2CCC3(CC3)CC2)CC1 ZINC001113277674 786502805 /nfs/dbraw/zinc/50/28/05/786502805.db2.gz ZPGLJNWHQIGIML-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO C[NH+](C)CCC(=O)N1CCN(CC2CCC3(CC3)CC2)CC1 ZINC001113301352 786512873 /nfs/dbraw/zinc/51/28/73/786512873.db2.gz MXCMFUDMTWDENA-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001014400841 786570417 /nfs/dbraw/zinc/57/04/17/786570417.db2.gz SMYNLTMSTDDWEC-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001014400841 786570421 /nfs/dbraw/zinc/57/04/21/786570421.db2.gz SMYNLTMSTDDWEC-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@@]1(C(=O)N2CCN(CC3CCCCC3)CC2)CCC[NH2+]C1 ZINC001157580000 786670919 /nfs/dbraw/zinc/67/09/19/786670919.db2.gz VWDYTSDQANIWBI-LJQANCHMSA-N 1 3 321.509 2.491 20 0 DEADHO CC(C)=CCN1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001014707527 786715444 /nfs/dbraw/zinc/71/54/44/786715444.db2.gz UGZUEFWVTXFDLF-DLBZAZTESA-N 1 3 307.482 2.121 20 0 DEADHO CC(C)=CCN1CC[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001014707527 786715448 /nfs/dbraw/zinc/71/54/48/786715448.db2.gz UGZUEFWVTXFDLF-DLBZAZTESA-N 1 3 307.482 2.121 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCCC(F)(F)CC1 ZINC001157708275 786860518 /nfs/dbraw/zinc/86/05/18/786860518.db2.gz NETYUEHZEHHNEH-ZDUSSCGKSA-N 1 3 305.413 2.130 20 0 DEADHO Cc1nc2ccc(NC[C@H]3O[C@@H](C(C)C)O[C@@H]3C[NH3+])cc2[nH]1 ZINC001170276707 786882155 /nfs/dbraw/zinc/88/21/55/786882155.db2.gz IGGRFHMTKKLCKP-OAGGEKHMSA-N 1 3 304.394 2.008 20 0 DEADHO CC(C)c1ccc(C[NH2+]CCNC(=O)[C@H](C2CC2)N(C)C)cc1 ZINC001129436810 787213926 /nfs/dbraw/zinc/21/39/26/787213926.db2.gz SXSXZZVWZJOWOU-SFHVURJKSA-N 1 3 317.477 2.356 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129531641 787222057 /nfs/dbraw/zinc/22/20/57/787222057.db2.gz CXVSGELSGMWJDB-OAHLLOKOSA-N 1 3 303.450 2.246 20 0 DEADHO CN(CC(=O)NCC[NH2+][C@@H]1CCc2c1cccc2F)C1CCC1 ZINC001129535439 787225097 /nfs/dbraw/zinc/22/50/97/787225097.db2.gz RPVTXBIQXUOAAO-QGZVFWFLSA-N 1 3 319.424 2.003 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[NH2+]CC/C=C/c1ccccc1)N(C)C ZINC001129950255 787262431 /nfs/dbraw/zinc/26/24/31/787262431.db2.gz PKJMATSRFOUQRZ-HCWHUNCVSA-N 1 3 317.477 2.382 20 0 DEADHO COc1cccc([C@@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001129949417 787262731 /nfs/dbraw/zinc/26/27/31/787262731.db2.gz CVTWOWNKFPZGSD-PBHICJAKSA-N 1 3 321.465 2.048 20 0 DEADHO O=C(NCCNCc1cccc(F)c1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130187431 787309323 /nfs/dbraw/zinc/30/93/23/787309323.db2.gz UWIXTIFZISICBZ-SJORKVTESA-N 1 3 319.424 2.048 20 0 DEADHO O=C(NCCNCc1cccc(F)c1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130187431 787309334 /nfs/dbraw/zinc/30/93/34/787309334.db2.gz UWIXTIFZISICBZ-SJORKVTESA-N 1 3 319.424 2.048 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC[NH2+][C@@H]1CCc2ccccc21 ZINC001130424901 787386278 /nfs/dbraw/zinc/38/62/78/787386278.db2.gz FVEZGSZKIZHCFZ-MRXNPFEDSA-N 1 3 303.450 2.110 20 0 DEADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001096104439 787506823 /nfs/dbraw/zinc/50/68/23/787506823.db2.gz JHNLCZNSFZRDMA-SQNIBIBYSA-N 1 3 319.493 2.406 20 0 DEADHO CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCCN1CCC3)C2 ZINC001097430645 788102322 /nfs/dbraw/zinc/10/23/22/788102322.db2.gz MWPAOEODWPETNI-ZACQAIPSSA-N 1 3 319.493 2.382 20 0 DEADHO CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCCN1CCC3)C2 ZINC001097430645 788102326 /nfs/dbraw/zinc/10/23/26/788102326.db2.gz MWPAOEODWPETNI-ZACQAIPSSA-N 1 3 319.493 2.382 20 0 DEADHO C[C@@H](NCCNC(=O)CCC[NH+](C)C)c1ccc(F)c(F)c1 ZINC001133051660 788263235 /nfs/dbraw/zinc/26/32/35/788263235.db2.gz KCHDYTCOCGJNLE-GFCCVEGCSA-N 1 3 313.392 2.073 20 0 DEADHO C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]CC1CC1 ZINC001133120772 788286783 /nfs/dbraw/zinc/28/67/83/788286783.db2.gz ASVRWMVFHIDAFC-DOTOQJQBSA-N 1 3 323.525 2.449 20 0 DEADHO CC(C)[C@H](C(=O)NCC[NH2+]CC/C=C\c1ccccc1)N(C)C ZINC001133419491 788409291 /nfs/dbraw/zinc/40/92/91/788409291.db2.gz PKJMATSRFOUQRZ-XSZJWBAASA-N 1 3 317.477 2.382 20 0 DEADHO Cc1cc(C)c(C[NH2+]CCNC(=O)CN2CCC[C@H]2C)c(C)c1 ZINC001133831923 788626950 /nfs/dbraw/zinc/62/69/50/788626950.db2.gz XKAVNEARZYBERR-QGZVFWFLSA-N 1 3 317.477 2.302 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]CCCCc2ccccc2)C1 ZINC001133845435 788638763 /nfs/dbraw/zinc/63/87/63/788638763.db2.gz FUSGXUASCDAVMY-QGZVFWFLSA-N 1 3 317.477 2.057 20 0 DEADHO CCCCCC[NH2+]CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001133856927 788641370 /nfs/dbraw/zinc/64/13/70/788641370.db2.gz WCHAMJGMHOBJTC-QGZVFWFLSA-N 1 3 315.477 2.485 20 0 DEADHO CCc1cccc(C[NH2+]CCNC(=O)CN(C)CC(C)(C)C)c1 ZINC001133899783 788669034 /nfs/dbraw/zinc/66/90/34/788669034.db2.gz XAAYOTLSACNFCD-UHFFFAOYSA-N 1 3 319.493 2.433 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+]CC[C@@H]1CCc2ccccc21)N(C)C ZINC001133966232 788696754 /nfs/dbraw/zinc/69/67/54/788696754.db2.gz YTEJIASQSMKJNZ-WMZOPIPTSA-N 1 3 317.477 2.153 20 0 DEADHO C[C@H](C[C@H](C)NC(=O)CN(C)C1CCC1)[NH2+]C/C=C\Cl ZINC001134608321 789003972 /nfs/dbraw/zinc/00/39/72/789003972.db2.gz UOFADANMPZHORC-ODBCZPJSSA-N 1 3 301.862 2.096 20 0 DEADHO Cc1ccc(C[NH2+]CCNC(=O)[C@H]2CCCCN2C(C)C)cc1 ZINC001134759504 789066550 /nfs/dbraw/zinc/06/65/50/789066550.db2.gz QNZMOMBMWDIRKS-GOSISDBHSA-N 1 3 317.477 2.464 20 0 DEADHO Cc1nc(C)c(CN[C@@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C)o1 ZINC001135314694 789286862 /nfs/dbraw/zinc/28/68/62/789286862.db2.gz FNELZBCDIWPZBD-STQMWFEESA-N 1 3 324.469 2.006 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+]Cc1c(C)cc(C)cc1C ZINC001135508288 789369699 /nfs/dbraw/zinc/36/96/99/789369699.db2.gz JIFDKRDYZQTFNO-UHFFFAOYSA-N 1 3 305.466 2.159 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+][C@H]1CCCc2ccccc21 ZINC001135513505 789382105 /nfs/dbraw/zinc/38/21/05/789382105.db2.gz PUKYAKIZWDZDHJ-KRWDZBQOSA-N 1 3 303.450 2.112 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCCCF ZINC001135747428 789476765 /nfs/dbraw/zinc/47/67/65/789476765.db2.gz QDYXEWCGTDFGJZ-LSDHHAIUSA-N 1 3 303.466 2.341 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ncccc1C ZINC001135976254 789585954 /nfs/dbraw/zinc/58/59/54/789585954.db2.gz IKQSISZGFIYZQV-CVEARBPZSA-N 1 3 320.481 2.105 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1conc1C ZINC001135992159 789588256 /nfs/dbraw/zinc/58/82/56/789588256.db2.gz QBGMWIJFECUFJE-ZIAGYGMSSA-N 1 3 324.469 2.088 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1conc1C ZINC001135992159 789588262 /nfs/dbraw/zinc/58/82/62/789588262.db2.gz QBGMWIJFECUFJE-ZIAGYGMSSA-N 1 3 324.469 2.088 20 0 DEADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C[NH2+]CC1CCC1 ZINC001072301912 790110375 /nfs/dbraw/zinc/11/03/75/790110375.db2.gz ZJRFDJVGHDZKGS-WBVHZDCISA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]CC1CC1 ZINC001072364878 790124598 /nfs/dbraw/zinc/12/45/98/790124598.db2.gz BAJXEUXAFFFQMS-NVXWUHKLSA-N 1 3 321.509 2.203 20 0 DEADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H](N)CC1CC1 ZINC000398126977 790248897 /nfs/dbraw/zinc/24/88/97/790248897.db2.gz IIZDUAIAWSFQAO-OLMNPRSZSA-N 1 3 315.461 2.141 20 0 DEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H](N)CC1CC1 ZINC000398126977 790248900 /nfs/dbraw/zinc/24/89/00/790248900.db2.gz IIZDUAIAWSFQAO-OLMNPRSZSA-N 1 3 315.461 2.141 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCc1ccccc1 ZINC001146593839 791317124 /nfs/dbraw/zinc/31/71/24/791317124.db2.gz QNKXNRBXCILJBJ-IAGOWNOFSA-N 1 3 319.493 2.442 20 0 DEADHO CC1CC(C[NH2+][C@H]2CCN(C(=O)CN3CCC(C)CC3)[C@H]2C)C1 ZINC001074993731 791423465 /nfs/dbraw/zinc/42/34/65/791423465.db2.gz XNBPJFYVVDRKPE-IKJBURDNSA-N 1 3 321.509 2.343 20 0 DEADHO CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001075281325 791553988 /nfs/dbraw/zinc/55/39/88/791553988.db2.gz KDOFXFCSDBJAFM-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO CCCCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)N(C)CC)C2)C1 ZINC001147809027 791619245 /nfs/dbraw/zinc/61/92/45/791619245.db2.gz CWLMXRYXMISPKD-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CCCCC[N@H+]1CCC2(CN(C(=O)C(C)(C)N(C)CC)C2)C1 ZINC001147809027 791619250 /nfs/dbraw/zinc/61/92/50/791619250.db2.gz CWLMXRYXMISPKD-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](C(C)C)C[C@@]2(C)C1 ZINC001091715875 791742647 /nfs/dbraw/zinc/74/26/47/791742647.db2.gz HHRKRGDWDPZJIX-RYRKJORJSA-N 1 3 307.482 2.050 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](C(C)C)C[C@@]2(C)C1 ZINC001091715875 791742651 /nfs/dbraw/zinc/74/26/51/791742651.db2.gz HHRKRGDWDPZJIX-RYRKJORJSA-N 1 3 307.482 2.050 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@]2(C)C1 ZINC001091735454 791774127 /nfs/dbraw/zinc/77/41/27/791774127.db2.gz RDPBXHMIAOELFM-WBVHZDCISA-N 1 3 307.482 2.051 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@]2(C)C1 ZINC001091735454 791774131 /nfs/dbraw/zinc/77/41/31/791774131.db2.gz RDPBXHMIAOELFM-WBVHZDCISA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001091759984 791818607 /nfs/dbraw/zinc/81/86/07/791818607.db2.gz PBLRDIAUUWHETR-AOIWGVFYSA-N 1 3 323.525 2.399 20 0 DEADHO CC(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001091759984 791818611 /nfs/dbraw/zinc/81/86/11/791818611.db2.gz PBLRDIAUUWHETR-AOIWGVFYSA-N 1 3 323.525 2.399 20 0 DEADHO CC(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCCN3C)C2)CC1 ZINC001086907757 791844926 /nfs/dbraw/zinc/84/49/26/791844926.db2.gz ATNIEDLVRUIONF-IRXDYDNUSA-N 1 3 321.509 2.440 20 0 DEADHO CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001086929943 791859693 /nfs/dbraw/zinc/85/96/93/791859693.db2.gz UNZUCSPZKCGMEL-JKSUJKDBSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C(C)C ZINC001099552324 792240915 /nfs/dbraw/zinc/24/09/15/792240915.db2.gz LJXRJUKBFPNTBE-MLHJIOFPSA-N 1 3 321.509 2.151 20 0 DEADHO CC(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C(C)C ZINC001099552324 792240923 /nfs/dbraw/zinc/24/09/23/792240923.db2.gz LJXRJUKBFPNTBE-MLHJIOFPSA-N 1 3 321.509 2.151 20 0 DEADHO CN(C)C1(C(=O)NCC2CC([NH2+]Cc3ccsc3)C2)CCC1 ZINC001100404680 792631621 /nfs/dbraw/zinc/63/16/21/792631621.db2.gz OGXUYXXKHFUVHD-UHFFFAOYSA-N 1 3 321.490 2.217 20 0 DEADHO CN(C)C1(C(=O)NCC2CC([NH2+]CC3CC(C)(C)C3)C2)CCC1 ZINC001100406865 792632110 /nfs/dbraw/zinc/63/21/10/792632110.db2.gz OTZWMJVGWGZRBB-UHFFFAOYSA-N 1 3 321.509 2.391 20 0 DEADHO CN(C)[C@H](C(=O)NCC1CC([NH2+]CCC(C)(C)C)C1)C1CC1 ZINC001100408247 792633438 /nfs/dbraw/zinc/63/34/38/792633438.db2.gz ZVQIUXNDCZYJCR-BCLQGDPASA-N 1 3 309.498 2.247 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCC1CC([NH2+]CC2=CCCCC2)C1 ZINC001100676233 792782831 /nfs/dbraw/zinc/78/28/31/792782831.db2.gz LFSTXZIQIZCPCK-FAEJEUNOSA-N 1 3 319.493 2.456 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1cnc(C)o1)N(C)C ZINC001171508852 793118103 /nfs/dbraw/zinc/11/81/03/793118103.db2.gz IYMBIULRIVRUKY-CZUORRHYSA-N 1 3 324.469 2.088 20 0 DEADHO CN1C(C)(C)CC([N@@H+]2CCC(=O)N3CCC[C@H]3C2)CC1(C)C ZINC001171641646 793174633 /nfs/dbraw/zinc/17/46/33/793174633.db2.gz RXGBKHPWTZYLRV-AWEZNQCLSA-N 1 3 307.482 2.335 20 0 DEADHO CN1C(C)(C)CC([N@H+]2CCC(=O)N3CCC[C@H]3C2)CC1(C)C ZINC001171641646 793174635 /nfs/dbraw/zinc/17/46/35/793174635.db2.gz RXGBKHPWTZYLRV-AWEZNQCLSA-N 1 3 307.482 2.335 20 0 DEADHO [NH3+][C@H]1CC[C@H](N(C2COC2)[C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171786041 793212537 /nfs/dbraw/zinc/21/25/37/793212537.db2.gz XDYGYWKMFMIWRO-RBSFLKMASA-N 1 3 304.409 2.264 20 0 DEADHO CC1([NH3+])CCN([C@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171879528 793254423 /nfs/dbraw/zinc/25/44/23/793254423.db2.gz XXAQXBRDRFNSCI-KRWDZBQOSA-N 1 3 315.461 2.495 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCNC(=O)Nc1ccccc1)C2 ZINC001172107512 793332354 /nfs/dbraw/zinc/33/23/54/793332354.db2.gz YZMGBMHDXHTVLD-OSYLJGHBSA-N 1 3 316.449 2.413 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCNC(=O)Nc1ccccc1)C2 ZINC001172107512 793332358 /nfs/dbraw/zinc/33/23/58/793332358.db2.gz YZMGBMHDXHTVLD-OSYLJGHBSA-N 1 3 316.449 2.413 20 0 DEADHO COCCOc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)cn1 ZINC001172112723 793334478 /nfs/dbraw/zinc/33/44/78/793334478.db2.gz YYIIACDTWMWKAF-OSYLJGHBSA-N 1 3 319.449 2.212 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@]1(O)CCOc3ccccc31)C2 ZINC001172112745 793335083 /nfs/dbraw/zinc/33/50/83/793335083.db2.gz ZQPUVQKPVZFTAX-OAFZBRQQSA-N 1 3 316.445 2.262 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@]1(O)CCOc3ccccc31)C2 ZINC001172112745 793335095 /nfs/dbraw/zinc/33/50/95/793335095.db2.gz ZQPUVQKPVZFTAX-OAFZBRQQSA-N 1 3 316.445 2.262 20 0 DEADHO C[C@H](CN)C[N@H+](Cc1ccccc1)[C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172153583 793351444 /nfs/dbraw/zinc/35/14/44/793351444.db2.gz DGKBJBLESIEPKD-KBAYOESNSA-N 1 3 315.461 2.237 20 0 DEADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172153583 793351451 /nfs/dbraw/zinc/35/14/51/793351451.db2.gz DGKBJBLESIEPKD-KBAYOESNSA-N 1 3 315.461 2.237 20 0 DEADHO C[C@H](C[NH3+])CN(Cc1ccccc1)[C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172153583 793351460 /nfs/dbraw/zinc/35/14/60/793351460.db2.gz DGKBJBLESIEPKD-KBAYOESNSA-N 1 3 315.461 2.237 20 0 DEADHO CN1CCN(Cc2cccc(C[NH2+][C@@H]3COC(C)(C)C3)c2)CC1 ZINC001172270920 793378082 /nfs/dbraw/zinc/37/80/82/793378082.db2.gz IDDHNWHNQBYWSE-SFHVURJKSA-N 1 3 317.477 2.091 20 0 DEADHO CC[N@H+]([C@H]1CCOC1)C1CCN(C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172241527 793383093 /nfs/dbraw/zinc/38/30/93/793383093.db2.gz CAQHXCTZWOAZSR-OOKSDGMUSA-N 1 3 306.450 2.048 20 0 DEADHO CC[N@@H+]([C@H]1CCOC1)C1CCN(C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172241527 793383102 /nfs/dbraw/zinc/38/31/02/793383102.db2.gz CAQHXCTZWOAZSR-OOKSDGMUSA-N 1 3 306.450 2.048 20 0 DEADHO CC(C)(N)C(C)(C)[NH2+][C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172664961 793473001 /nfs/dbraw/zinc/47/30/01/793473001.db2.gz TYERZPFGAARDRL-HNNXBMFYSA-N 1 3 303.450 2.283 20 0 DEADHO CC1([NH3+])CCN(C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC001173000513 793557252 /nfs/dbraw/zinc/55/72/52/793557252.db2.gz NZFRSLFGEWFNOW-UHFFFAOYSA-N 1 3 319.424 2.244 20 0 DEADHO CC[NH+](CC)C1CCC(N2CCN(c3ncccn3)CC2)CC1 ZINC001173108476 793580429 /nfs/dbraw/zinc/58/04/29/793580429.db2.gz MAOFKOYQNOXXGO-UHFFFAOYSA-N 1 3 317.481 2.252 20 0 DEADHO CCC(CC)C[N@H+]1C[C@@H](CNC(=O)CN(CC)CC)[C@H](C)C1 ZINC001102475569 793626790 /nfs/dbraw/zinc/62/67/90/793626790.db2.gz UHWOMBCZKLLNRY-NVXWUHKLSA-N 1 3 311.514 2.449 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@@H](CNC(=O)CN(CC)CC)[C@H](C)C1 ZINC001102475569 793626794 /nfs/dbraw/zinc/62/67/94/793626794.db2.gz UHWOMBCZKLLNRY-NVXWUHKLSA-N 1 3 311.514 2.449 20 0 DEADHO CCc1ccc(C[C@@H](C)N2CCN(CC[NH+](C)C)CC2)cc1 ZINC001173253608 793650200 /nfs/dbraw/zinc/65/02/00/793650200.db2.gz VNKVWIFBEAGVKX-QGZVFWFLSA-N 1 3 303.494 2.359 20 0 DEADHO CC[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)C1 ZINC001173281929 793675883 /nfs/dbraw/zinc/67/58/83/793675883.db2.gz VGXOFMBKBXJDPP-ZBRFXRBCSA-N 1 3 317.481 2.251 20 0 DEADHO CC[C@@H]1CC[C@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)C1 ZINC001173281929 793675886 /nfs/dbraw/zinc/67/58/86/793675886.db2.gz VGXOFMBKBXJDPP-ZBRFXRBCSA-N 1 3 317.481 2.251 20 0 DEADHO CCCN1C[C@@H]2C[N@H+]([C@@H]3CC[C@H](CC(=O)OCC)C3)C[C@@H]2C1 ZINC001173661115 793797889 /nfs/dbraw/zinc/79/78/89/793797889.db2.gz OXUSTDUAKDGITA-MWDXBVQZSA-N 1 3 308.466 2.382 20 0 DEADHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3CC[C@H](CC(=O)OCC)C3)C[C@@H]2C1 ZINC001173661115 793797893 /nfs/dbraw/zinc/79/78/93/793797893.db2.gz OXUSTDUAKDGITA-MWDXBVQZSA-N 1 3 308.466 2.382 20 0 DEADHO CN1CC2(C1)CC[NH+](C1CCN(CC(F)(F)F)CC1)CC2 ZINC001173674357 793805856 /nfs/dbraw/zinc/80/58/56/793805856.db2.gz IMJXBLJFKRYTIN-UHFFFAOYSA-N 1 3 305.388 2.041 20 0 DEADHO CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001102987640 793861281 /nfs/dbraw/zinc/86/12/81/793861281.db2.gz KXLGRWOYDAIPHG-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001102987640 793861289 /nfs/dbraw/zinc/86/12/89/793861289.db2.gz KXLGRWOYDAIPHG-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](CC2CC2)C[C@H]1C ZINC001103156553 793960915 /nfs/dbraw/zinc/96/09/15/793960915.db2.gz JWXHVWCAUWYAHL-GDBMZVCRSA-N 1 3 309.498 2.201 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](CC2CC2)C[C@H]1C ZINC001103156553 793960917 /nfs/dbraw/zinc/96/09/17/793960917.db2.gz JWXHVWCAUWYAHL-GDBMZVCRSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001103436140 794092643 /nfs/dbraw/zinc/09/26/43/794092643.db2.gz MBKKPKZIZHADKL-KZNAEPCWSA-N 1 3 321.509 2.369 20 0 DEADHO CC(C)=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001103436140 794092652 /nfs/dbraw/zinc/09/26/52/794092652.db2.gz MBKKPKZIZHADKL-KZNAEPCWSA-N 1 3 321.509 2.369 20 0 DEADHO CCOCCC[NH2+]CCCC[C@@H](C)NC(=O)CN(CC)CC ZINC001175786357 794287867 /nfs/dbraw/zinc/28/78/67/794287867.db2.gz JRSXYNIXXQXIME-MRXNPFEDSA-N 1 3 315.502 2.019 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)CCCC[NH2+]CCCCOC ZINC001175786704 794288656 /nfs/dbraw/zinc/28/86/56/794288656.db2.gz NTDUWZJLVSIHQE-MRXNPFEDSA-N 1 3 315.502 2.019 20 0 DEADHO CC[C@@H](C[NH2+]CCCC[C@@H](C)NC(=O)CN(CC)CC)OC ZINC001175787765 794289778 /nfs/dbraw/zinc/28/97/78/794289778.db2.gz XBSTUOMIGOSOLG-CVEARBPZSA-N 1 3 315.502 2.018 20 0 DEADHO CC[NH+](CC)CCN(C(=N)N)C(=O)/C=C/c1sccc1C ZINC001177077476 794576457 /nfs/dbraw/zinc/57/64/57/794576457.db2.gz KSFPZZMZXAHXNL-VOTSOKGWSA-N 1 3 308.451 2.134 20 0 DEADHO CN(C)[C@@H](C(=O)NCCCCCC[NH2+]CC1CCC1)C1CC1 ZINC001178698467 794980968 /nfs/dbraw/zinc/98/09/68/794980968.db2.gz IJLLVEWUUXFSHX-QGZVFWFLSA-N 1 3 309.498 2.393 20 0 DEADHO CC[C@H](C(=O)NCCCCCC[NH2+]Cc1cnoc1C)N(C)C ZINC001178815617 795013408 /nfs/dbraw/zinc/01/34/08/795013408.db2.gz GRBDMANASSBITA-MRXNPFEDSA-N 1 3 324.469 2.089 20 0 DEADHO CC[C@H](C(=O)NCCCCCC[NH2+]CCOC(C)C)N(C)C ZINC001178819002 795014164 /nfs/dbraw/zinc/01/41/64/795014164.db2.gz ILSZPGGYZNYSNA-MRXNPFEDSA-N 1 3 315.502 2.018 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCCC3CCC3)[C@@H]2C)C1 ZINC001179539297 795134348 /nfs/dbraw/zinc/13/43/48/795134348.db2.gz UTOODBGIQCHAGQ-RYRKJORJSA-N 1 3 321.509 2.488 20 0 DEADHO CC1(C)CCN(CC(=O)NCCCCCC[NH2+]CC2CC2)C1 ZINC001179592742 795140130 /nfs/dbraw/zinc/14/01/30/795140130.db2.gz LIEXDMYNXSVDDX-UHFFFAOYSA-N 1 3 309.498 2.395 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCc2ccccc2F)[C@@H]1C ZINC001179856908 795190314 /nfs/dbraw/zinc/19/03/14/795190314.db2.gz MVNLAIMZGMUJCM-YOEHRIQHSA-N 1 3 321.440 2.247 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2ccccc2F)[C@@H]1C ZINC001179856908 795190318 /nfs/dbraw/zinc/19/03/18/795190318.db2.gz MVNLAIMZGMUJCM-YOEHRIQHSA-N 1 3 321.440 2.247 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCCCCC[NH2+]C/C=C\Cl ZINC001180158755 795252873 /nfs/dbraw/zinc/25/28/73/795252873.db2.gz QPUQSEGNNZAEKH-SREVYHEPSA-N 1 3 312.845 2.279 20 0 DEADHO C[NH+](C)CCCOc1ccc(CN2CC(N3CCCC3)C2)cc1 ZINC001204267154 795286860 /nfs/dbraw/zinc/28/68/60/795286860.db2.gz FFTFRXHLFAJEJO-UHFFFAOYSA-N 1 3 317.477 2.297 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CC2CC2)C1 ZINC001120440971 795460767 /nfs/dbraw/zinc/46/07/67/795460767.db2.gz VXCDUAZGLNYUMG-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CC2CC2)C1 ZINC001120440971 795460770 /nfs/dbraw/zinc/46/07/70/795460770.db2.gz VXCDUAZGLNYUMG-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C)N2CCCCCC2)C[C@H]1C ZINC001182807687 795759440 /nfs/dbraw/zinc/75/94/40/795759440.db2.gz YBDOJSDXLLKWSK-JFIYKMOQSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC[C@H](C)F)C1 ZINC001183517239 795878813 /nfs/dbraw/zinc/87/88/13/795878813.db2.gz WRASXTMPOWLHIM-HLLBOEOZSA-N 1 3 315.477 2.149 20 0 DEADHO O=C(N[C@H]1CC[NH2+]C1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001184406263 796059379 /nfs/dbraw/zinc/05/93/79/796059379.db2.gz NRSHQQZVNJTQLA-ZBFHGGJFSA-N 1 3 321.852 2.030 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1C[NH2+]CCF ZINC001185170726 796201981 /nfs/dbraw/zinc/20/19/81/796201981.db2.gz RECUTEPLZGVLCX-CABCVRRESA-N 1 3 315.477 2.008 20 0 DEADHO C[C@H](N[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1F ZINC001185264098 796224557 /nfs/dbraw/zinc/22/45/57/796224557.db2.gz ACTWDGNPZYHWJX-LSDHHAIUSA-N 1 3 321.440 2.419 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001185380102 796244910 /nfs/dbraw/zinc/24/49/10/796244910.db2.gz IVNBIMKXZXKMEF-ZWKOTPCHSA-N 1 3 323.525 2.449 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1)N(C)C ZINC001185455269 796263261 /nfs/dbraw/zinc/26/32/61/796263261.db2.gz LICKTDSZIBRZNL-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001185659753 796301450 /nfs/dbraw/zinc/30/14/50/796301450.db2.gz QFLDDNFFKMDHSE-SJLPKXTDSA-N 1 3 321.509 2.489 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC[C@@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001185676042 796308036 /nfs/dbraw/zinc/30/80/36/796308036.db2.gz IPKRDXNTBVBNFN-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]C/C=C/Cl)[C@H](C)C1 ZINC001185753353 796316338 /nfs/dbraw/zinc/31/63/38/796316338.db2.gz XRGSWBSKFXTZNT-IPKOWEFYSA-N 1 3 315.889 2.153 20 0 DEADHO CCN(CC)CC(=O)N1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC001203010480 796487744 /nfs/dbraw/zinc/48/77/44/796487744.db2.gz NODQHTKGJPJAAR-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2Cc1cc(O)cc(Cl)c1 ZINC001140789506 796572949 /nfs/dbraw/zinc/57/29/49/796572949.db2.gz VINQXLSUILEEFQ-DLBZAZTESA-N 1 3 323.868 2.256 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001188138853 796630943 /nfs/dbraw/zinc/63/09/43/796630943.db2.gz FKTOQSVKUZFZPA-CHWSQXEVSA-N 1 3 321.387 2.004 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001189389949 796815906 /nfs/dbraw/zinc/81/59/06/796815906.db2.gz MNECKQSMXWJJOG-CVEARBPZSA-N 1 3 309.498 2.440 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001189389949 796815908 /nfs/dbraw/zinc/81/59/08/796815908.db2.gz MNECKQSMXWJJOG-CVEARBPZSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC[NH2+]CCCc1ccccc1 ZINC001152146822 797150213 /nfs/dbraw/zinc/15/02/13/797150213.db2.gz JWVRVNZDQKRBQR-CALCHBBNSA-N 1 3 317.477 2.198 20 0 DEADHO CC(C)N(C)CC(=O)NCC[NH2+]Cc1cc2ccccc2s1 ZINC001152426061 797186071 /nfs/dbraw/zinc/18/60/71/797186071.db2.gz CDCMARWUHLUFME-UHFFFAOYSA-N 1 3 319.474 2.447 20 0 DEADHO CCCCCC[N@H+](C)[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001192353235 797370275 /nfs/dbraw/zinc/37/02/75/797370275.db2.gz BSBZVZZJGUWIBC-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001192353235 797370283 /nfs/dbraw/zinc/37/02/83/797370283.db2.gz BSBZVZZJGUWIBC-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([N@H+](C)CCCCCF)C2)C1 ZINC001192355602 797372939 /nfs/dbraw/zinc/37/29/39/797372939.db2.gz RFTPVZRETRSKQX-CVEARBPZSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CCCCCF)C2)C1 ZINC001192355602 797372946 /nfs/dbraw/zinc/37/29/46/797372946.db2.gz RFTPVZRETRSKQX-CVEARBPZSA-N 1 3 313.461 2.001 20 0 DEADHO CC[N@H+](Cc1ccccc1)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001153854792 797410906 /nfs/dbraw/zinc/41/09/06/797410906.db2.gz XAABKFPBSIOILF-MRXNPFEDSA-N 1 3 317.477 2.498 20 0 DEADHO CC[N@@H+](Cc1ccccc1)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001153854792 797410909 /nfs/dbraw/zinc/41/09/09/797410909.db2.gz XAABKFPBSIOILF-MRXNPFEDSA-N 1 3 317.477 2.498 20 0 DEADHO CC[N@H+](CC1CC(C)C1)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001153910439 797422569 /nfs/dbraw/zinc/42/25/69/797422569.db2.gz PNSGIYIRJHZVHE-MYBQVCMBSA-N 1 3 311.514 2.445 20 0 DEADHO CC[N@@H+](CC1CC(C)C1)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001153910439 797422570 /nfs/dbraw/zinc/42/25/70/797422570.db2.gz PNSGIYIRJHZVHE-MYBQVCMBSA-N 1 3 311.514 2.445 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(F)cc2)C1 ZINC001193620836 797594415 /nfs/dbraw/zinc/59/44/15/797594415.db2.gz BSFBLWNIGLJFLJ-QGZVFWFLSA-N 1 3 321.440 2.200 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001193620836 797594419 /nfs/dbraw/zinc/59/44/19/797594419.db2.gz BSFBLWNIGLJFLJ-QGZVFWFLSA-N 1 3 321.440 2.200 20 0 DEADHO CC(C)C[C@@H](C)C[N@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194040703 797668935 /nfs/dbraw/zinc/66/89/35/797668935.db2.gz RTXQMESPMHJZTC-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[C@@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194040703 797668937 /nfs/dbraw/zinc/66/89/37/797668937.db2.gz RTXQMESPMHJZTC-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CCC/C=C\CC[N@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194041647 797669007 /nfs/dbraw/zinc/66/90/07/797669007.db2.gz YAOKHGSWYFUKDR-OSJSJHBBSA-N 1 3 307.482 2.361 20 0 DEADHO CCC/C=C\CC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194041647 797669009 /nfs/dbraw/zinc/66/90/09/797669009.db2.gz YAOKHGSWYFUKDR-OSJSJHBBSA-N 1 3 307.482 2.361 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(F)cc1)N(C)C ZINC001155289128 797726840 /nfs/dbraw/zinc/72/68/40/797726840.db2.gz KZZKMFNPKBXRFH-PBHICJAKSA-N 1 3 323.456 2.493 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(F)cc1)N(C)C ZINC001155289128 797726841 /nfs/dbraw/zinc/72/68/41/797726841.db2.gz KZZKMFNPKBXRFH-PBHICJAKSA-N 1 3 323.456 2.493 20 0 DEADHO [NH3+]C[C@@]1(O)CCCCN(CCc2ccc(C(F)(F)F)cc2)C1 ZINC001205664129 797728999 /nfs/dbraw/zinc/72/89/99/797728999.db2.gz MELAQHIPYIODMI-HNNXBMFYSA-N 1 3 316.367 2.424 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1cccc(F)c1 ZINC001156525723 798022613 /nfs/dbraw/zinc/02/26/13/798022613.db2.gz WICYGYNFZJSJAY-OAHLLOKOSA-N 1 3 323.456 2.494 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cccc(F)c1 ZINC001156525723 798022616 /nfs/dbraw/zinc/02/26/16/798022616.db2.gz WICYGYNFZJSJAY-OAHLLOKOSA-N 1 3 323.456 2.494 20 0 DEADHO CN(C)Cc1ccnc(N2CCC3(CC2)CC[NH+](C)CC3)c1 ZINC001156574620 798033537 /nfs/dbraw/zinc/03/35/37/798033537.db2.gz BRVUXXSRWWIPDL-UHFFFAOYSA-N 1 3 302.466 2.455 20 0 DEADHO CC[N@H+](CCCCCF)[C@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001156617782 798043234 /nfs/dbraw/zinc/04/32/34/798043234.db2.gz SFKQNBKNIXZNCU-CYBMUJFWSA-N 1 3 312.433 2.227 20 0 DEADHO CC[N@@H+](CCCCCF)[C@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001156617782 798043241 /nfs/dbraw/zinc/04/32/41/798043241.db2.gz SFKQNBKNIXZNCU-CYBMUJFWSA-N 1 3 312.433 2.227 20 0 DEADHO CC[N@H+](CC1CCCC1)[C@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001156618077 798043865 /nfs/dbraw/zinc/04/38/65/798043865.db2.gz XFYDIJNGAWQJPY-CYBMUJFWSA-N 1 3 306.454 2.277 20 0 DEADHO CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001156618077 798043870 /nfs/dbraw/zinc/04/38/70/798043870.db2.gz XFYDIJNGAWQJPY-CYBMUJFWSA-N 1 3 306.454 2.277 20 0 DEADHO CN(Cc1ccc(-n2nc(C[NH3+])c3ccccc32)nc1)C1CC1 ZINC001156865138 798097830 /nfs/dbraw/zinc/09/78/30/798097830.db2.gz QNOAYMAJCPHVDB-UHFFFAOYSA-N 1 3 307.401 2.473 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CCCN(CCc2cccs2)CC1 ZINC001197708110 798227960 /nfs/dbraw/zinc/22/79/60/798227960.db2.gz WGVHEXVBFBGQTI-UHFFFAOYSA-N 1 3 323.506 2.167 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CCCN(CCc2cccs2)CC1 ZINC001197708110 798227961 /nfs/dbraw/zinc/22/79/61/798227961.db2.gz WGVHEXVBFBGQTI-UHFFFAOYSA-N 1 3 323.506 2.167 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CCCN(CC2=CCCCC2)CC1 ZINC001197707895 798228042 /nfs/dbraw/zinc/22/80/42/798228042.db2.gz QFIPKQYZMBGXNY-UHFFFAOYSA-N 1 3 307.482 2.363 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CCCN(CC2=CCCCC2)CC1 ZINC001197707895 798228043 /nfs/dbraw/zinc/22/80/43/798228043.db2.gz QFIPKQYZMBGXNY-UHFFFAOYSA-N 1 3 307.482 2.363 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC000246526240 798245838 /nfs/dbraw/zinc/24/58/38/798245838.db2.gz ULYLZHZCPYILIW-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC000246526240 798245841 /nfs/dbraw/zinc/24/58/41/798245841.db2.gz ULYLZHZCPYILIW-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CCC[NH+]1C[C@H]2CN(c3ccc(CN4CCCC4)cn3)C[C@@H]2C1 ZINC001157692521 798259721 /nfs/dbraw/zinc/25/97/21/798259721.db2.gz RKUKZVGGXCQRRH-ROUUACIJSA-N 1 3 314.477 2.455 20 0 DEADHO CC1CC(C[NH2+]CCNC(=O)c2ccccc2CN(C)C)C1 ZINC001152384792 798266082 /nfs/dbraw/zinc/26/60/82/798266082.db2.gz XVJGRLZEEZGNIV-UHFFFAOYSA-N 1 3 303.450 2.114 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC(C)(C)C1 ZINC001158481075 798413852 /nfs/dbraw/zinc/41/38/52/798413852.db2.gz XLDQYWSRTQMQCB-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC(C)(C)C1 ZINC001158481075 798413853 /nfs/dbraw/zinc/41/38/53/798413853.db2.gz XLDQYWSRTQMQCB-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001199788258 798538826 /nfs/dbraw/zinc/53/88/26/798538826.db2.gz NHEXHKSSKSBNSF-RTRPANQVSA-N 1 3 307.482 2.408 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159925750 798627004 /nfs/dbraw/zinc/62/70/04/798627004.db2.gz TXVFAGXCBNLUEL-QGZVFWFLSA-N 1 3 321.440 2.070 20 0 DEADHO Cc1cc(C[NH2+]CCCNC(=O)CN(C)C2CCC2)cs1 ZINC001159997358 798637933 /nfs/dbraw/zinc/63/79/33/798637933.db2.gz NOEJFJFKTFQNQA-UHFFFAOYSA-N 1 3 309.479 2.137 20 0 DEADHO C[C@H]([NH2+]CCCNC(=O)CN(C)C1CCC1)c1cccc(F)c1 ZINC001160003309 798639227 /nfs/dbraw/zinc/63/92/27/798639227.db2.gz IRLFRLPACMEISG-AWEZNQCLSA-N 1 3 321.440 2.467 20 0 DEADHO Cc1ccc(CC[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001160427848 798686616 /nfs/dbraw/zinc/68/66/16/798686616.db2.gz VOTFDTBFJOUHDX-SFHVURJKSA-N 1 3 319.493 2.220 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]CC[C@@H](C)F)CC1 ZINC001201327158 798740992 /nfs/dbraw/zinc/74/09/92/798740992.db2.gz IJOIFOZNYHAGMK-CYBMUJFWSA-N 1 3 301.450 2.045 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+]CCCc1cccc(C)c1)N(C)C ZINC001160883408 798755054 /nfs/dbraw/zinc/75/50/54/798755054.db2.gz MJNSQZOQVIKFDJ-GOSISDBHSA-N 1 3 319.493 2.364 20 0 DEADHO Cc1cc(F)cc(C)c1C(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161449729 798860531 /nfs/dbraw/zinc/86/05/31/798860531.db2.gz QWDVTMIVGORTRW-MRXNPFEDSA-N 1 3 321.440 2.198 20 0 DEADHO CC(C)(C)[C@@H](N)C(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161582278 798890977 /nfs/dbraw/zinc/89/09/77/798890977.db2.gz KJXNZHFZAYGRQS-INIZCTEOSA-N 1 3 315.461 2.023 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]CCC(C)(C)C)CC2)C1 ZINC001202496473 798987696 /nfs/dbraw/zinc/98/76/96/798987696.db2.gz SBTXYQCHKDUWNQ-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)(C)C(=O)Nc1ccc(CN)nc1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001162391132 799075767 /nfs/dbraw/zinc/07/57/67/799075767.db2.gz AABARNVWQVHSNI-NWDGAFQWSA-N 1 3 319.453 2.207 20 0 DEADHO Cc1nc2ccc(NC[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)cc2[nH]1 ZINC001163279544 799297119 /nfs/dbraw/zinc/29/71/19/799297119.db2.gz NDTLTDRCGDGIGR-CXAGYDPISA-N 1 3 300.406 2.442 20 0 DEADHO COC(=O)c1ccc([C@@H]([NH3+])CNc2cc(N(C)C)ccn2)cc1 ZINC001163461516 799350589 /nfs/dbraw/zinc/35/05/89/799350589.db2.gz HJFIBVHNSDZOLL-HNNXBMFYSA-N 1 3 314.389 2.046 20 0 DEADHO Cc1c2nc[nH]c2ccc1NCC1([NH+](C)C)CCN(C)CC1 ZINC001164212054 799540448 /nfs/dbraw/zinc/54/04/48/799540448.db2.gz WWIJPEWOKFCOFN-UHFFFAOYSA-N 1 3 301.438 2.309 20 0 DEADHO CC(C)[C@H](C(=O)NCCC[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001166010038 799812728 /nfs/dbraw/zinc/81/27/28/799812728.db2.gz FLKZFCSXDYRKKF-MRXNPFEDSA-N 1 3 309.498 2.249 20 0 DEADHO CN(CC(=O)NCCC[NH2+]CCC(F)(F)F)CC(C)(C)C ZINC001166743976 799938061 /nfs/dbraw/zinc/93/80/61/799938061.db2.gz BKQXEHQVDPCDPH-UHFFFAOYSA-N 1 3 311.392 2.013 20 0 DEADHO CC1(C)CCN(CC(=O)NCCC[NH2+]CCCC2CCC2)C1 ZINC001166764880 799944716 /nfs/dbraw/zinc/94/47/16/799944716.db2.gz MCUQUFBTUJYBEU-UHFFFAOYSA-N 1 3 309.498 2.395 20 0 DEADHO CC1(C)CCN(CC(=O)NCCC[NH2+]Cc2ccccc2)C1 ZINC001166764629 799945356 /nfs/dbraw/zinc/94/53/56/799945356.db2.gz IMDNHAUSMXEFNS-UHFFFAOYSA-N 1 3 303.450 2.014 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+][C@@H]1CCc2ccc(F)cc21)N(C)C ZINC001166851476 799964875 /nfs/dbraw/zinc/96/48/75/799964875.db2.gz BGDYORUEJXYMGT-SJORKVTESA-N 1 3 321.440 2.249 20 0 DEADHO CCc1ccc(C[NH2+]CCCNC(=O)[C@H](CC)N(C)C)cc1 ZINC001166852824 799965412 /nfs/dbraw/zinc/96/54/12/799965412.db2.gz XJAFNVPRPHWUBN-KRWDZBQOSA-N 1 3 305.466 2.185 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1C[C@H]([NH2+]C/C=C\Cl)C12CCC2 ZINC001203523410 800068990 /nfs/dbraw/zinc/06/89/90/800068990.db2.gz QZLSEEJPRLXCTM-UMBVUCBTSA-N 1 3 313.873 2.098 20 0 DEADHO CCN(CCCN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)CC(F)(F)F ZINC000933738432 800175366 /nfs/dbraw/zinc/17/53/66/800175366.db2.gz ZEEJWUOYPHJJLW-UONOGXRCSA-N 1 3 307.404 2.144 20 0 DEADHO CCN(CCCN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)CC(F)(F)F ZINC000933738432 800175369 /nfs/dbraw/zinc/17/53/69/800175369.db2.gz ZEEJWUOYPHJJLW-UONOGXRCSA-N 1 3 307.404 2.144 20 0 DEADHO Fc1ccc(N2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)cc1F ZINC001204877997 800269253 /nfs/dbraw/zinc/26/92/53/800269253.db2.gz SBCSIVUEKNXRAZ-AWEZNQCLSA-N 1 3 309.404 2.477 20 0 DEADHO COc1ccc(Cn2cc(CN3CCC(C[NH3+])CC3)cn2)cc1 ZINC001205058396 800291624 /nfs/dbraw/zinc/29/16/24/800291624.db2.gz LJDCVBULWPSCAA-UHFFFAOYSA-N 1 3 314.433 2.111 20 0 DEADHO COC(=O)c1ccc2[nH]cc(CN3CCC[C@@H]([NH3+])CC3)c2c1 ZINC001205110485 800298681 /nfs/dbraw/zinc/29/86/81/800298681.db2.gz TZYYBYFVUXPNKQ-CQSZACIVSA-N 1 3 301.390 2.268 20 0 DEADHO CC[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1c1cccc(F)c1 ZINC001205445628 800357379 /nfs/dbraw/zinc/35/73/79/800357379.db2.gz IVZUVVHDWAWZPZ-DLBZAZTESA-N 1 3 321.440 2.071 20 0 DEADHO C[C@@H]1CCN(Cc2ccc(C(F)(F)F)nn2)CC[C@@H]1C[NH3+] ZINC001205628273 800390315 /nfs/dbraw/zinc/39/03/15/800390315.db2.gz UJOJKXILDYJZIV-GHMZBOCLSA-N 1 3 302.344 2.302 20 0 DEADHO Cc1ccc(F)c(CN2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)c1 ZINC001205633482 800390435 /nfs/dbraw/zinc/39/04/35/800390435.db2.gz KDHOIXBFOVGQAF-ZWKOTPCHSA-N 1 3 305.441 2.344 20 0 DEADHO Cc1ccc(F)c(CN2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)c1 ZINC001205633482 800390442 /nfs/dbraw/zinc/39/04/42/800390442.db2.gz KDHOIXBFOVGQAF-ZWKOTPCHSA-N 1 3 305.441 2.344 20 0 DEADHO COc1nc(OC)c(CN2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1C ZINC001205664569 800396295 /nfs/dbraw/zinc/39/62/95/800396295.db2.gz OGUDUSZHWBCXRQ-JSGCOSHPSA-N 1 3 307.438 2.214 20 0 DEADHO COc1ccc2[nH]c(CN3CCC[C@@H](C[NH3+])[C@@H](C)C3)nc2c1 ZINC001206036508 800462361 /nfs/dbraw/zinc/46/23/61/800462361.db2.gz KJAZWHGGBCKTGS-STQMWFEESA-N 1 3 302.422 2.378 20 0 DEADHO [NH3+][C@@H]1CCN(Cc2ccc(-c3cnccn3)cc2)CC[C@@H]1F ZINC001206176334 800485516 /nfs/dbraw/zinc/48/55/16/800485516.db2.gz ZFQXXGXADALLMF-JKSUJKDBSA-N 1 3 300.381 2.405 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[NH2+]C/C=C/Cl)CC1 ZINC001206273882 800500551 /nfs/dbraw/zinc/50/05/51/800500551.db2.gz CEXZAXAVEZVYPY-UFZAZABTSA-N 1 3 313.873 2.051 20 0 DEADHO CC(C)N(Cc1nc2c(s1)CNCC2)[C@H]1CCC[NH2+]CC1 ZINC001206597771 800561849 /nfs/dbraw/zinc/56/18/49/800561849.db2.gz GCSUZYNPMYMMMK-ZDUSSCGKSA-N 1 3 308.495 2.141 20 0 DEADHO [NH3+]C[C@H]1CCCCN(Cc2ccccc2N2CCC(O)CC2)C1 ZINC001206616922 800566079 /nfs/dbraw/zinc/56/60/79/800566079.db2.gz UFOGRCXPEBHMJS-MRXNPFEDSA-N 1 3 317.477 2.209 20 0 DEADHO CN(C)CC(C)(C)C[NH+]1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC001207279054 800720928 /nfs/dbraw/zinc/72/09/28/800720928.db2.gz AOVLRLGRKPHKRY-IAGOWNOFSA-N 1 3 316.493 2.033 20 0 DEADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CC(C)(C)N1CCOCC1 ZINC001207305108 800725853 /nfs/dbraw/zinc/72/58/53/800725853.db2.gz QYQXIBGHIQPWRS-ROUUACIJSA-N 1 3 323.525 2.436 20 0 DEADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CC(C)(C)N1CCOCC1 ZINC001207305108 800725857 /nfs/dbraw/zinc/72/58/57/800725857.db2.gz QYQXIBGHIQPWRS-ROUUACIJSA-N 1 3 323.525 2.436 20 0 DEADHO CCOC[C@@H]1Cn2nccc2CN(CC2(C)CC[NH+](C)CC2)C1 ZINC001208107994 800913122 /nfs/dbraw/zinc/91/31/22/800913122.db2.gz ZAXSBASHMQDHJC-INIZCTEOSA-N 1 3 320.481 2.083 20 0 DEADHO CCOC[C@H]1CN(CC2(C)CC[NH+](C)CC2)Cc2cnn(C)c21 ZINC001208107059 800913133 /nfs/dbraw/zinc/91/31/33/800913133.db2.gz KDZFQQBBXNFKKW-MRXNPFEDSA-N 1 3 320.481 2.088 20 0 DEADHO CCOCc1ncn2c1CN(CC1(C)CC[NH+](C)CC1)CCC2 ZINC001208107982 800913187 /nfs/dbraw/zinc/91/31/87/800913187.db2.gz YRBMPIWGZBIBLF-UHFFFAOYSA-N 1 3 320.481 2.357 20 0 DEADHO CC(C)CCC[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001208736393 801060071 /nfs/dbraw/zinc/06/00/71/801060071.db2.gz YYNRDLMLIQPQPC-IKGGRYGDSA-N 1 3 305.470 2.109 20 0 DEADHO CC(C)CCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001208736393 801060076 /nfs/dbraw/zinc/06/00/76/801060076.db2.gz YYNRDLMLIQPQPC-IKGGRYGDSA-N 1 3 305.470 2.109 20 0 DEADHO CC[C@H](CCC(=O)OC)CN1CCN(c2cc[nH+]cc2C)CC1 ZINC001208791367 801070231 /nfs/dbraw/zinc/07/02/31/801070231.db2.gz KJEQPSXUDXELHD-MRXNPFEDSA-N 1 3 319.449 2.491 20 0 DEADHO COC(=O)[C@H]1CCCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208948984 801100942 /nfs/dbraw/zinc/10/09/42/801100942.db2.gz UTRGEWQIPPSASK-ROUUACIJSA-N 1 3 316.445 2.394 20 0 DEADHO COC(=O)[C@H]1CCCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208948984 801100944 /nfs/dbraw/zinc/10/09/44/801100944.db2.gz UTRGEWQIPPSASK-ROUUACIJSA-N 1 3 316.445 2.394 20 0 DEADHO CCOC(C)(C)CN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001209067505 801124273 /nfs/dbraw/zinc/12/42/73/801124273.db2.gz BYCYJVPEDBPOBW-HKUYNNGSSA-N 1 3 324.509 2.482 20 0 DEADHO CCOC(C)(C)CN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001209067505 801124275 /nfs/dbraw/zinc/12/42/75/801124275.db2.gz BYCYJVPEDBPOBW-HKUYNNGSSA-N 1 3 324.509 2.482 20 0 DEADHO CC/C=C/CC[NH+]1CCC(NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001229184826 801237801 /nfs/dbraw/zinc/23/78/01/801237801.db2.gz CSIRQXDYFRDKTH-APHBUQMISA-N 1 3 307.482 2.408 20 0 DEADHO CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001209631249 801238179 /nfs/dbraw/zinc/23/81/79/801238179.db2.gz DTHVVFVKFHFMBS-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]CCCCCF)C1 ZINC001209631871 801239011 /nfs/dbraw/zinc/23/90/11/801239011.db2.gz HOEWUGCSTNWXRV-HZPDHXFCSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)CCC[NH2+][C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001209640680 801243489 /nfs/dbraw/zinc/24/34/89/801243489.db2.gz CRRVWYDPZNDZMS-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001210217069 801352702 /nfs/dbraw/zinc/35/27/02/801352702.db2.gz CLQKVJRRQZGFKG-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC001210789821 801463761 /nfs/dbraw/zinc/46/37/61/801463761.db2.gz RHSZNQAYNLBELX-KRWDZBQOSA-N 1 3 303.450 2.109 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCC(C)C)C1 ZINC001211256527 801536983 /nfs/dbraw/zinc/53/69/83/801536983.db2.gz IBRGHZDSFLIKEX-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO COCCCOc1ccc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)cc1 ZINC001231505517 801676064 /nfs/dbraw/zinc/67/60/64/801676064.db2.gz MWJOUMQGCLSYCV-MSOLQXFVSA-N 1 3 318.461 2.485 20 0 DEADHO COCCCOc1ccc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)cc1 ZINC001231505517 801676069 /nfs/dbraw/zinc/67/60/69/801676069.db2.gz MWJOUMQGCLSYCV-MSOLQXFVSA-N 1 3 318.461 2.485 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001215994137 801924626 /nfs/dbraw/zinc/92/46/26/801924626.db2.gz RDOZLPLPFYOETR-SJLPKXTDSA-N 1 3 317.477 2.273 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]C/C=C/Cl)C1 ZINC001216844653 802032705 /nfs/dbraw/zinc/03/27/05/802032705.db2.gz HXULZKSHWIUJRI-OUONAIIESA-N 1 3 313.873 2.050 20 0 DEADHO CC[N@@H+]1CCC[C@@H](Oc2nc3onc(C)c3c3c2CNCC3)C1 ZINC001218349182 802170753 /nfs/dbraw/zinc/17/07/53/802170753.db2.gz ZBZNICVLFUKSRH-GFCCVEGCSA-N 1 3 316.405 2.040 20 0 DEADHO CC[N@H+]1CCC[C@@H](Oc2nc3onc(C)c3c3c2CNCC3)C1 ZINC001218349182 802170758 /nfs/dbraw/zinc/17/07/58/802170758.db2.gz ZBZNICVLFUKSRH-GFCCVEGCSA-N 1 3 316.405 2.040 20 0 DEADHO CN(C)c1ccncc1NC(=O)[C@@](C)([NH3+])Cc1ccc(F)cc1 ZINC001218564030 802207016 /nfs/dbraw/zinc/20/70/16/802207016.db2.gz WYNNZVBRNGSYPJ-KRWDZBQOSA-N 1 3 316.380 2.185 20 0 DEADHO Cc1nc2cc(Cl)c(NC(=O)[C@H](N)C3CC[NH2+]CC3)cc2o1 ZINC001218913762 802258861 /nfs/dbraw/zinc/25/88/61/802258861.db2.gz WXWKLKYJJJKXJL-CQSZACIVSA-N 1 3 322.796 2.055 20 0 DEADHO N[C@@H](C(=O)Nc1ccc2cc(F)ccc2c1)C1CC[NH2+]CC1 ZINC001218982978 802269323 /nfs/dbraw/zinc/26/93/23/802269323.db2.gz WTBCRYYGKZIHLS-MRXNPFEDSA-N 1 3 301.365 2.244 20 0 DEADHO Cc1cc(O)cc(C)c1NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001218991621 802270852 /nfs/dbraw/zinc/27/08/52/802270852.db2.gz XPRRPNIPWMRTBU-HNNXBMFYSA-N 1 3 307.438 2.443 20 0 DEADHO C[NH2+]Cc1ccc(C(=O)Nc2ccc3c(c2)CNCCO3)cc1 ZINC001219030031 802276702 /nfs/dbraw/zinc/27/67/02/802276702.db2.gz ZXCWFQQKKQMVHG-UHFFFAOYSA-N 1 3 311.385 2.140 20 0 DEADHO N[C@H](C(=O)Nc1ccccc1-c1ccncc1)C1CC[NH2+]CC1 ZINC001219328945 802311220 /nfs/dbraw/zinc/31/12/20/802311220.db2.gz PABIOMAMOJGMDR-KRWDZBQOSA-N 1 3 310.401 2.014 20 0 DEADHO N[C@H](CCC[NH3+])C(=O)Nc1cc(C2CCCCC2)ccc1O ZINC001219398652 802323031 /nfs/dbraw/zinc/32/30/31/802323031.db2.gz SCZRFXQLIANUJD-CQSZACIVSA-N 1 3 305.422 2.445 20 0 DEADHO CC/C=C/CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001234403839 802370088 /nfs/dbraw/zinc/37/00/88/802370088.db2.gz ZTSSMVQQCLTTQN-SKPMUFQZSA-N 1 3 307.482 2.216 20 0 DEADHO CC/C=C/CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001234403839 802370098 /nfs/dbraw/zinc/37/00/98/802370098.db2.gz ZTSSMVQQCLTTQN-SKPMUFQZSA-N 1 3 307.482 2.216 20 0 DEADHO N[C@H](CCC[NH3+])C(=O)NC1c2ccccc2Oc2ccccc21 ZINC001220722397 802489308 /nfs/dbraw/zinc/48/93/08/802489308.db2.gz ZCAAPELMRSUJPN-CQSZACIVSA-N 1 3 311.385 2.064 20 0 DEADHO C[C@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)[C@@H](N)CCCC[NH+](C)C)C2(C)C ZINC001221199466 802537003 /nfs/dbraw/zinc/53/70/03/802537003.db2.gz NJAZYAWNDJYMLN-ARKGTOAJSA-N 1 3 309.498 2.233 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N(C)CC)[C@@H]2C1 ZINC001221654570 802599914 /nfs/dbraw/zinc/59/99/14/802599914.db2.gz PARGJMUKWXIUFF-BZUAXINKSA-N 1 3 309.498 2.296 20 0 DEADHO CC[C@@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N(C)CC)[C@@H]2C1 ZINC001221654570 802599918 /nfs/dbraw/zinc/59/99/18/802599918.db2.gz PARGJMUKWXIUFF-BZUAXINKSA-N 1 3 309.498 2.296 20 0 DEADHO c1ccc(CCCCCN2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001222492489 802693887 /nfs/dbraw/zinc/69/38/87/802693887.db2.gz YLVXOOLMXSPTDL-OALUTQOASA-N 1 3 301.478 2.425 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)N(CC)CC)C[C@@H]21 ZINC001223488709 802795589 /nfs/dbraw/zinc/79/55/89/802795589.db2.gz AAMTXNMIMAUMMK-IKGGRYGDSA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)N(CC)CC)C[C@@H]21 ZINC001223488709 802795594 /nfs/dbraw/zinc/79/55/94/802795594.db2.gz AAMTXNMIMAUMMK-IKGGRYGDSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)(C(=O)NCC1CC[NH+](CC2CCC2)CC1)N1CCCC1 ZINC001224024368 802830952 /nfs/dbraw/zinc/83/09/52/802830952.db2.gz JIUFRDXUAJZPKC-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001224558218 802881431 /nfs/dbraw/zinc/88/14/31/802881431.db2.gz CGJPMBNRWXQPNO-CVEARBPZSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)N(C)CC(=O)NCC1CC[NH+](CC2CC(C)C2)CC1 ZINC001225582713 802986838 /nfs/dbraw/zinc/98/68/38/802986838.db2.gz RFTVITPKAGKAGV-UHFFFAOYSA-N 1 3 309.498 2.201 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCF ZINC001226614826 803131530 /nfs/dbraw/zinc/13/15/30/803131530.db2.gz TZFIRBFYUVVMID-OAGGEKHMSA-N 1 3 313.461 2.237 20 0 DEADHO CC(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N(C)C ZINC001226800231 803161907 /nfs/dbraw/zinc/16/19/07/803161907.db2.gz ILKCNTZUUQEAHL-ZACQAIPSSA-N 1 3 309.498 2.390 20 0 DEADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]Cc1ccccc1 ZINC001368838160 1148703484 /nfs/dbraw/zinc/70/34/84/1148703484.db2.gz IRKRAXVZKPASQE-LSDHHAIUSA-N 1 3 303.450 2.154 20 0 DEADHO OCCCOCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC001334327894 1150270809 /nfs/dbraw/zinc/27/08/09/1150270809.db2.gz VVTVUECVHVBDNA-FHWLQOOXSA-N 1 3 318.461 2.028 20 0 DEADHO OCCCOCCN[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC001334327894 1150270813 /nfs/dbraw/zinc/27/08/13/1150270813.db2.gz VVTVUECVHVBDNA-FHWLQOOXSA-N 1 3 318.461 2.028 20 0 DEADHO OCCCOCCN[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC001334327894 1150270819 /nfs/dbraw/zinc/27/08/19/1150270819.db2.gz VVTVUECVHVBDNA-FHWLQOOXSA-N 1 3 318.461 2.028 20 0 DEADHO CN(CC(=O)N1CCCCC[C@H]([NH2+]CCF)C1)CC(C)(C)C ZINC001418791675 1167963182 /nfs/dbraw/zinc/96/31/82/1167963182.db2.gz LWRTYHNBWWVDNX-HNNXBMFYSA-N 1 3 315.477 2.295 20 0 DEADHO CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CC2CCC2)C1)N(CC)CC ZINC001419121501 1168226348 /nfs/dbraw/zinc/22/63/48/1168226348.db2.gz LRRBAPQGRXOYGU-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCC2)C1)N(CC)CC ZINC001419121501 1168226358 /nfs/dbraw/zinc/22/63/58/1168226358.db2.gz LRRBAPQGRXOYGU-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H](c1ccc(F)cc1)N(C)CCNC(=O)CCC[NH+](C)C ZINC001420295601 1169329754 /nfs/dbraw/zinc/32/97/54/1169329754.db2.gz URLYLYPTJPGFQY-CQSZACIVSA-N 1 3 309.429 2.277 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCC1(F)F)N(C)C ZINC001368239825 1148399945 /nfs/dbraw/zinc/39/99/45/1148399945.db2.gz KFXUGKHXJGHJNP-ZIAGYGMSSA-N 1 3 319.440 2.056 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCC1(F)F)N(C)C ZINC001368239825 1148399954 /nfs/dbraw/zinc/39/99/54/1148399954.db2.gz KFXUGKHXJGHJNP-ZIAGYGMSSA-N 1 3 319.440 2.056 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001370406555 1149659634 /nfs/dbraw/zinc/65/96/34/1149659634.db2.gz WHHDVHLOGLEEQC-PBHICJAKSA-N 1 3 321.440 2.419 20 0 DEADHO CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)CC1CC(C)(C)C1 ZINC001403914216 1163288229 /nfs/dbraw/zinc/28/82/29/1163288229.db2.gz PVHJLXHVRXMFBG-HNNXBMFYSA-N 1 3 309.498 2.203 20 0 DEADHO CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)CC1CC(C)(C)C1 ZINC001403914216 1163288236 /nfs/dbraw/zinc/28/82/36/1163288236.db2.gz PVHJLXHVRXMFBG-HNNXBMFYSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)CC1CC(C)(C)C1 ZINC001368959941 1148807456 /nfs/dbraw/zinc/80/74/56/1148807456.db2.gz WUUWJKWEINKWNO-CQSZACIVSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)CC1CC(C)(C)C1 ZINC001368959941 1148807458 /nfs/dbraw/zinc/80/74/58/1148807458.db2.gz WUUWJKWEINKWNO-CQSZACIVSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC001603656321 1070023241 /nfs/dbraw/zinc/02/32/41/1070023241.db2.gz GLKHUYUTCJYDBJ-NSHDSACASA-N 1 3 318.400 2.046 20 0 DEADHO C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(-c2nn[n-]n2)cc1F ZINC001603656321 1070023257 /nfs/dbraw/zinc/02/32/57/1070023257.db2.gz GLKHUYUTCJYDBJ-NSHDSACASA-N 1 3 318.400 2.046 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[N@H+](CCC2CC2)CC1)N(C)C ZINC001368511244 1148472021 /nfs/dbraw/zinc/47/20/21/1148472021.db2.gz IQPUCKLOJCZTRP-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)CC1)N(C)C ZINC001368511244 1148472023 /nfs/dbraw/zinc/47/20/23/1148472023.db2.gz IQPUCKLOJCZTRP-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CCCC[C@@H](CC)COC[C@@H](O)C[NH2+]CC1(N)CCCC1 ZINC001245971259 1140840059 /nfs/dbraw/zinc/84/00/59/1140840059.db2.gz AEVAPUHVJDJWEQ-CVEARBPZSA-N 1 3 300.487 2.441 20 0 DEADHO Cc1cccc([C@@H](C)N2CC([C@@H](C)NC(=O)CC[NH+](C)C)C2)c1 ZINC001369086740 1148845851 /nfs/dbraw/zinc/84/58/51/1148845851.db2.gz KVHRDILFXRROKB-HZPDHXFCSA-N 1 3 317.477 2.444 20 0 DEADHO CC(C)=CC[NH+]1CCC(C)(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001499997838 1058421371 /nfs/dbraw/zinc/42/13/71/1058421371.db2.gz UPXMQMJFKQKWGD-INIZCTEOSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)C2CCC2)C1 ZINC001500354419 1058719504 /nfs/dbraw/zinc/71/95/04/1058719504.db2.gz RNWVGKFESKHTJW-GOSISDBHSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](F)C[NH2+]CC[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001501574489 1059556123 /nfs/dbraw/zinc/55/61/23/1059556123.db2.gz NSRFDQOKXNZDCN-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[C@H](C[NH2+]CCCF)CC1)N(C)C ZINC001501709847 1059656625 /nfs/dbraw/zinc/65/66/25/1059656625.db2.gz AANJWHZLUAGQJJ-BZUAXINKSA-N 1 3 315.477 2.197 20 0 DEADHO CC[C@H](F)CN1CCC2(CN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001501742326 1059679373 /nfs/dbraw/zinc/67/93/73/1059679373.db2.gz WWJQPCARAZJRNR-HNNXBMFYSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CC2CCC2)CCC1 ZINC001502029399 1059885798 /nfs/dbraw/zinc/88/57/98/1059885798.db2.gz WMNKYFRTNVFOIX-GASCZTMLSA-N 1 3 307.482 2.288 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+](CC)C2)C1 ZINC001502405021 1060112969 /nfs/dbraw/zinc/11/29/69/1060112969.db2.gz QRWSPPHTWWONOK-IAGOWNOFSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+](CC)C2)C1 ZINC001502405021 1060112979 /nfs/dbraw/zinc/11/29/79/1060112979.db2.gz QRWSPPHTWWONOK-IAGOWNOFSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CCC(CC)([NH2+]CCC2CC2)CC1 ZINC001502513512 1060159035 /nfs/dbraw/zinc/15/90/35/1060159035.db2.gz OJSJTYVLSOEBMJ-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CCC[N@H+](CC)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001505396290 1060526074 /nfs/dbraw/zinc/52/60/74/1060526074.db2.gz DOLAAMUZZMKQBE-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@@H+](CC)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001505396290 1060526093 /nfs/dbraw/zinc/52/60/93/1060526093.db2.gz DOLAAMUZZMKQBE-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001505434716 1060593017 /nfs/dbraw/zinc/59/30/17/1060593017.db2.gz XFGHGAMJWYYYKJ-SJORKVTESA-N 1 3 309.498 2.462 20 0 DEADHO CC(C)=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001505434716 1060593037 /nfs/dbraw/zinc/59/30/37/1060593037.db2.gz XFGHGAMJWYYYKJ-SJORKVTESA-N 1 3 309.498 2.462 20 0 DEADHO CC(C)[NH+]1CCC(N2CCN(C[C@]3(C)CCCCO3)CC2)CC1 ZINC001474357906 1060860463 /nfs/dbraw/zinc/86/04/63/1060860463.db2.gz FUHBEGPFLWOVIP-IBGZPJMESA-N 1 3 323.525 2.436 20 0 DEADHO Cc1ccc(F)c(C[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001505760044 1060936366 /nfs/dbraw/zinc/93/63/66/1060936366.db2.gz FSSQWUGUMYERFL-HUUCEWRRSA-N 1 3 323.456 2.457 20 0 DEADHO CN(CC(C)(C)C[NH2+]C/C=C\Cl)C(=O)CN(C)C1CCC1 ZINC001505816133 1060997209 /nfs/dbraw/zinc/99/72/09/1060997209.db2.gz FUHFVUACYUDMRU-TWGQIWQCSA-N 1 3 315.889 2.297 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CC1CCCC1 ZINC001505918069 1061131930 /nfs/dbraw/zinc/13/19/30/1061131930.db2.gz FQRAUXITADAGRS-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC1CCCC1 ZINC001505918069 1061131940 /nfs/dbraw/zinc/13/19/40/1061131940.db2.gz FQRAUXITADAGRS-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001479294542 1061372507 /nfs/dbraw/zinc/37/25/07/1061372507.db2.gz GIWXNIVXIFQMJF-IXDOHACOSA-N 1 3 307.482 2.310 20 0 DEADHO CC[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001479315767 1061387661 /nfs/dbraw/zinc/38/76/61/1061387661.db2.gz QKASINZNBKTWGY-OAGGEKHMSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)=CC[NH2+][C@H]1C[C@@H](CNC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001479347975 1061404962 /nfs/dbraw/zinc/40/49/62/1061404962.db2.gz MPAWKBGKTXQNTH-WNKDZCFJSA-N 1 3 307.482 2.310 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCC(F)(F)F)C1)N(C)C ZINC001479376055 1061423414 /nfs/dbraw/zinc/42/34/14/1061423414.db2.gz YHDFUGGYJRVDHY-AVGNSLFASA-N 1 3 323.403 2.009 20 0 DEADHO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC001479374941 1061423658 /nfs/dbraw/zinc/42/36/58/1061423658.db2.gz FKBXSPBZXSXPCQ-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cl)C1 ZINC001480233623 1062497869 /nfs/dbraw/zinc/49/78/69/1062497869.db2.gz JUEZKYHMHNQBBY-GASCZTMLSA-N 1 3 323.868 2.419 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCc2cccs2)[C@@H]1C ZINC001507295592 1063048295 /nfs/dbraw/zinc/04/82/95/1063048295.db2.gz CVHIXXRSJZJELA-GOEBONIOSA-N 1 3 323.506 2.210 20 0 DEADHO Cc1cccc(Cl)c1CN[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001480590928 1063081156 /nfs/dbraw/zinc/08/11/56/1063081156.db2.gz XZBHOQSOPBXIPF-KGLIPLIRSA-N 1 3 323.868 2.194 20 0 DEADHO Cc1cccc(Cl)c1CN[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001480590928 1063081179 /nfs/dbraw/zinc/08/11/79/1063081179.db2.gz XZBHOQSOPBXIPF-KGLIPLIRSA-N 1 3 323.868 2.194 20 0 DEADHO Cc1ccc(F)c(CN[C@@H]2C[C@H](C)N(C(=O)CC[NH+](C)C)C2)c1 ZINC001507319692 1063090109 /nfs/dbraw/zinc/09/01/09/1063090109.db2.gz KYGCJQCGKLOUPT-GOEBONIOSA-N 1 3 321.440 2.165 20 0 DEADHO CC[C@@H](C(=O)N1CCC(C[N@H+](C)CC=C(C)C)CC1)N(C)C ZINC001567750686 1064403518 /nfs/dbraw/zinc/40/35/18/1064403518.db2.gz WHGZUJZOPUBRHF-KRWDZBQOSA-N 1 3 309.498 2.463 20 0 DEADHO CC[C@@H](C(=O)N1CCC(C[N@@H+](C)CC=C(C)C)CC1)N(C)C ZINC001567750686 1064403522 /nfs/dbraw/zinc/40/35/22/1064403522.db2.gz WHGZUJZOPUBRHF-KRWDZBQOSA-N 1 3 309.498 2.463 20 0 DEADHO CC/C=C/CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CCC)C1 ZINC001494709621 1064426263 /nfs/dbraw/zinc/42/62/63/1064426263.db2.gz KNZJMJXTYLHLLD-LZCSOBMZSA-N 1 3 307.482 2.408 20 0 DEADHO CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CCC)C1 ZINC001494709621 1064426270 /nfs/dbraw/zinc/42/62/70/1064426270.db2.gz KNZJMJXTYLHLLD-LZCSOBMZSA-N 1 3 307.482 2.408 20 0 DEADHO CC[C@H](F)C[NH2+]CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001568097651 1064644390 /nfs/dbraw/zinc/64/43/90/1064644390.db2.gz GORSLBBYBZIVFC-INIZCTEOSA-N 1 3 313.461 2.049 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccccc1F)N(C)C ZINC001568644249 1065017769 /nfs/dbraw/zinc/01/77/69/1065017769.db2.gz MKMKWOTUYGRQKF-YOEHRIQHSA-N 1 3 323.456 2.396 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+]Cc1ccsc1 ZINC001495718622 1065072137 /nfs/dbraw/zinc/07/21/37/1065072137.db2.gz IJATZHJJWRHRRB-CQSZACIVSA-N 1 3 323.506 2.464 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCCF ZINC001496170794 1065319593 /nfs/dbraw/zinc/31/95/93/1065319593.db2.gz RTFQCHOUCCZKGO-GJZGRUSLSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)C[C@@H](C[NH2+]CC1CC1)NC(=O)C(C)(C)N1CCCC1 ZINC001496283278 1065383938 /nfs/dbraw/zinc/38/39/38/1065383938.db2.gz JWGJHSSKBYIHMP-INIZCTEOSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001496339838 1065414510 /nfs/dbraw/zinc/41/45/10/1065414510.db2.gz GHGWESYPKRGSKQ-HZPDHXFCSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)CC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001496347371 1065419746 /nfs/dbraw/zinc/41/97/46/1065419746.db2.gz YMWPITOJRPXBGZ-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CC1CCC1 ZINC001496483806 1065503022 /nfs/dbraw/zinc/50/30/22/1065503022.db2.gz AFSCWLPPKARCKY-DOTOQJQBSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CCCCCF ZINC001570343889 1066022266 /nfs/dbraw/zinc/02/22/66/1066022266.db2.gz GBUMSPFOEXQFDA-GOEBONIOSA-N 1 3 313.461 2.047 20 0 DEADHO CCN(CC[NH2+]CC1CC(C)(C)C1)C(=O)C1(N(C)C)CCC1 ZINC001497401681 1066073655 /nfs/dbraw/zinc/07/36/55/1066073655.db2.gz YMGTUPFVUASPFV-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CCN(CCNC/C=C/Cl)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001497406500 1066077329 /nfs/dbraw/zinc/07/73/29/1066077329.db2.gz BUDQEVSWELDJKC-WSQYCBKMSA-N 1 3 313.873 2.194 20 0 DEADHO CCN(CCNC/C=C/Cl)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001497406500 1066077337 /nfs/dbraw/zinc/07/73/37/1066077337.db2.gz BUDQEVSWELDJKC-WSQYCBKMSA-N 1 3 313.873 2.194 20 0 DEADHO CC[N@H+](CC=C(C)C)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001570504645 1066099286 /nfs/dbraw/zinc/09/92/86/1066099286.db2.gz OLXUPPDROCCEKP-UHFFFAOYSA-N 1 3 318.465 2.479 20 0 DEADHO CC[N@@H+](CC=C(C)C)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001570504645 1066099297 /nfs/dbraw/zinc/09/92/97/1066099297.db2.gz OLXUPPDROCCEKP-UHFFFAOYSA-N 1 3 318.465 2.479 20 0 DEADHO CC(C)N1CCCN(C(=O)[C@@H]2[NH2+]CC[C@H]3CCCC[C@@H]32)CC1 ZINC001575701276 1066405736 /nfs/dbraw/zinc/40/57/36/1066405736.db2.gz XZJXQSAJTGOTIC-IXDOHACOSA-N 1 3 307.482 2.097 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(Cl)cc1 ZINC001497969351 1066437810 /nfs/dbraw/zinc/43/78/10/1066437810.db2.gz QKDGHNFOYKRNQA-CYBMUJFWSA-N 1 3 311.857 2.276 20 0 DEADHO C[C@H]1[C@@H](NC(=O)c2ccccc2CC2CC[NH2+]CC2)CCN1C ZINC001576588202 1066639780 /nfs/dbraw/zinc/63/97/80/1066639780.db2.gz SJYBZGUJLZORTD-KSSFIOAISA-N 1 3 315.461 2.051 20 0 DEADHO C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](N)C2)CCN1C(=O)OC(C)(C)C ZINC001576600242 1066643401 /nfs/dbraw/zinc/64/34/01/1066643401.db2.gz ZUOQWRIENZUNPW-KFWWJZLASA-N 1 3 311.470 2.445 20 0 DEADHO C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](N)C2)CCN1C(=O)OC(C)(C)C ZINC001576600242 1066643404 /nfs/dbraw/zinc/64/34/04/1066643404.db2.gz ZUOQWRIENZUNPW-KFWWJZLASA-N 1 3 311.470 2.445 20 0 DEADHO CN(C)C1(C(=O)N(C)CCC[NH2+]CCc2cccs2)CCC1 ZINC001498559432 1066778961 /nfs/dbraw/zinc/77/89/61/1066778961.db2.gz IAIRGYOAWSQWPX-UHFFFAOYSA-N 1 3 323.506 2.213 20 0 DEADHO CC[C@@H](C(=O)N(C)CCC[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001498615039 1066804605 /nfs/dbraw/zinc/80/46/05/1066804605.db2.gz OVJMTAUDTZRLOE-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN[C@@H](C(C)C)C1 ZINC001577457920 1066848221 /nfs/dbraw/zinc/84/82/21/1066848221.db2.gz JWYFJCMTWFFGRB-DLBZAZTESA-N 1 3 324.513 2.280 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN[C@@H](C(C)C)C1 ZINC001577457920 1066848223 /nfs/dbraw/zinc/84/82/23/1066848223.db2.gz JWYFJCMTWFFGRB-DLBZAZTESA-N 1 3 324.513 2.280 20 0 DEADHO CCN(C(=O)C[C@@H]1NCc2ccccc21)[C@H]1CC[N@H+](CC)C1 ZINC001577763850 1066923483 /nfs/dbraw/zinc/92/34/83/1066923483.db2.gz KYHXSNOULGIQFG-RDJZCZTQSA-N 1 3 301.434 2.164 20 0 DEADHO CCN(C(=O)C[C@@H]1NCc2ccccc21)[C@H]1CC[N@@H+](CC)C1 ZINC001577763850 1066923488 /nfs/dbraw/zinc/92/34/88/1066923488.db2.gz KYHXSNOULGIQFG-RDJZCZTQSA-N 1 3 301.434 2.164 20 0 DEADHO CCN1CCN(c2cccc(NC[C@@H](C[NH3+])C(C)C)c2)CC1 ZINC001577780762 1066926123 /nfs/dbraw/zinc/92/61/23/1066926123.db2.gz FIQNHIHMRZLVHT-MRXNPFEDSA-N 1 3 304.482 2.471 20 0 DEADHO C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC001578753438 1067162055 /nfs/dbraw/zinc/16/20/55/1067162055.db2.gz RJHAKIWFIJAEHJ-BHYGNILZSA-N 1 3 305.466 2.428 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2ccc(F)cc2C)CC1 ZINC001499426032 1067216246 /nfs/dbraw/zinc/21/62/46/1067216246.db2.gz AWAPOIGFLDHAJS-UHFFFAOYSA-N 1 3 321.440 2.214 20 0 DEADHO COc1ccc([C@@H](C[NH3+])CN(C2CC2)C2(CO)CCC2)cc1 ZINC001579195144 1067255402 /nfs/dbraw/zinc/25/54/02/1067255402.db2.gz SJVVBRLVVWIGKC-HNNXBMFYSA-N 1 3 304.434 2.117 20 0 DEADHO COc1ccc([C@@H](CN)C[N@H+](C2CC2)C2(CO)CCC2)cc1 ZINC001579195144 1067255405 /nfs/dbraw/zinc/25/54/05/1067255405.db2.gz SJVVBRLVVWIGKC-HNNXBMFYSA-N 1 3 304.434 2.117 20 0 DEADHO COc1ccc([C@@H](CN)C[N@@H+](C2CC2)C2(CO)CCC2)cc1 ZINC001579195144 1067255412 /nfs/dbraw/zinc/25/54/12/1067255412.db2.gz SJVVBRLVVWIGKC-HNNXBMFYSA-N 1 3 304.434 2.117 20 0 DEADHO CSc1ccc([C@H](CNC(=O)C[C@H]([NH3+])C2CC2)N(C)C)cc1 ZINC001579387969 1067323179 /nfs/dbraw/zinc/32/31/79/1067323179.db2.gz QBPORBKBXXFMAY-HOTGVXAUSA-N 1 3 321.490 2.255 20 0 DEADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001267025423 1078511580 /nfs/dbraw/zinc/51/15/80/1078511580.db2.gz XRPUQDLGMYMBCJ-KRWDZBQOSA-N 1 3 307.482 2.243 20 0 DEADHO Cc1cccc(CN(CCN(C)C)C(=O)CCC(C)(C)[NH3+])c1 ZINC001579761093 1067418094 /nfs/dbraw/zinc/41/80/94/1067418094.db2.gz JXPVKOVXSBHJNU-UHFFFAOYSA-N 1 3 305.466 2.403 20 0 DEADHO [NH3+][C@H]1C[C@H](NCCc2ccc3c(c2)OCCCO3)C12CCC2 ZINC001580165301 1067515167 /nfs/dbraw/zinc/51/51/67/1067515167.db2.gz UOEGOQXFAQJPGA-IRXDYDNUSA-N 1 3 302.418 2.250 20 0 DEADHO CC(C)[C@H](C(=O)N(C)CCC[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001483491281 1078563132 /nfs/dbraw/zinc/56/31/32/1078563132.db2.gz ZIJOOIATONPHLT-CQSZACIVSA-N 1 3 319.440 2.056 20 0 DEADHO CC[C@H](C(=O)N[C@H](C[NH2+]CC1CCCCC1)C1CC1)N(C)C ZINC001483603417 1078620745 /nfs/dbraw/zinc/62/07/45/1078620745.db2.gz ZKIKRRCQZXZWRI-IAGOWNOFSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)[C@H](C)[NH2+]CCCF ZINC001570653709 1068056135 /nfs/dbraw/zinc/05/61/35/1068056135.db2.gz VDLMKAVUVMJGKL-UONOGXRCSA-N 1 3 309.429 2.204 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@@H]2C(CNC(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC001570931950 1068162544 /nfs/dbraw/zinc/16/25/44/1068162544.db2.gz MVCSXJLIDCZMLQ-UWGADRCPSA-N 1 3 319.493 2.121 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@@H]2C(CNC(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC001570931950 1068162547 /nfs/dbraw/zinc/16/25/47/1068162547.db2.gz MVCSXJLIDCZMLQ-UWGADRCPSA-N 1 3 319.493 2.121 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CCCC3CCC3)C2)C1 ZINC001571157364 1068187871 /nfs/dbraw/zinc/18/78/71/1068187871.db2.gz NMOAXQUMUCDRPH-SZMVWBNQSA-N 1 3 321.509 2.393 20 0 DEADHO CC(C)=CC[NH2+][C@H](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001267207074 1078666076 /nfs/dbraw/zinc/66/60/76/1078666076.db2.gz ANIBYIKIFQELKB-CQSZACIVSA-N 1 3 304.438 2.135 20 0 DEADHO CC(C)=CC[NH2+][C@@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001267223134 1078676679 /nfs/dbraw/zinc/67/66/79/1078676679.db2.gz WVDHEJGEUXPJII-INIZCTEOSA-N 1 3 307.482 2.265 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CCCF)CN1C(=O)c1cccc(CN(C)C)c1 ZINC001571493212 1068350719 /nfs/dbraw/zinc/35/07/19/1068350719.db2.gz OCQVIHDIKLNJCH-WMLDXEAASA-N 1 3 321.440 2.300 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001483650802 1078742322 /nfs/dbraw/zinc/74/23/22/1078742322.db2.gz IQZHDSAMLMFBJV-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001483650802 1078742327 /nfs/dbraw/zinc/74/23/27/1078742327.db2.gz IQZHDSAMLMFBJV-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CN1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001483667743 1078765091 /nfs/dbraw/zinc/76/50/91/1078765091.db2.gz ONTOMSAFWVKJKW-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CC1CCC1)N1CCCCCC1 ZINC001483697831 1078818034 /nfs/dbraw/zinc/81/80/34/1078818034.db2.gz LLIAHTIOGPRSLZ-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1CC[N@H+]1CC1CCC1)N1CCCCCC1 ZINC001483697831 1078818037 /nfs/dbraw/zinc/81/80/37/1078818037.db2.gz LLIAHTIOGPRSLZ-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1CCN1CC1CCC1)[NH+]1CCCCCC1 ZINC001483697831 1078818039 /nfs/dbraw/zinc/81/80/39/1078818039.db2.gz LLIAHTIOGPRSLZ-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@@H]1CN(C(=O)NCC[N@@H+]2CCCC[C@@H]2CC)[C@@H](CC)CN1 ZINC001573717136 1069077172 /nfs/dbraw/zinc/07/71/72/1069077172.db2.gz FRLBTELDPDZTMB-IKGGRYGDSA-N 1 3 324.513 2.423 20 0 DEADHO CC[C@@H]1CN(C(=O)NCC[N@H+]2CCCC[C@@H]2CC)[C@@H](CC)CN1 ZINC001573717136 1069077175 /nfs/dbraw/zinc/07/71/75/1069077175.db2.gz FRLBTELDPDZTMB-IKGGRYGDSA-N 1 3 324.513 2.423 20 0 DEADHO CCN(C[C@@]1(O)CCC[NH2+]C1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001573770880 1069099633 /nfs/dbraw/zinc/09/96/33/1069099633.db2.gz DGAOXQBQNBPTSV-MAUKXSAKSA-N 1 3 306.450 2.063 20 0 DEADHO CCN(C(=O)C[NH2+]C(C)(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001645678583 1078960463 /nfs/dbraw/zinc/96/04/63/1078960463.db2.gz YXPMYSNRHRJWMJ-QGZVFWFLSA-N 1 3 317.477 2.498 20 0 DEADHO F[C@@H]1C[C@H](CN[C@H]2CCC[NH2+]CC2)N(Cc2cccs2)C1 ZINC001548919727 1072939218 /nfs/dbraw/zinc/93/92/18/1072939218.db2.gz FMWNHEWHTVWOSI-QLFBSQMISA-N 1 3 311.470 2.392 20 0 DEADHO CCCN1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC001645809936 1079005435 /nfs/dbraw/zinc/00/54/35/1079005435.db2.gz XGWFZIRPMHYYHM-SJLPKXTDSA-N 1 3 307.482 2.195 20 0 DEADHO CCCN1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC001645809936 1079005443 /nfs/dbraw/zinc/00/54/43/1079005443.db2.gz XGWFZIRPMHYYHM-SJLPKXTDSA-N 1 3 307.482 2.195 20 0 DEADHO CCn1nccc1[C@H]1OCC[C@H]1[NH2+]C1CCN(CC2CC2)CC1 ZINC001549373849 1073142793 /nfs/dbraw/zinc/14/27/93/1073142793.db2.gz GLEYMUODVKWESP-AEFFLSMTSA-N 1 3 318.465 2.197 20 0 DEADHO CC[N@H+](CCNC(=O)CN(C)C(C)C)Cc1ccccc1C ZINC001481019423 1079069875 /nfs/dbraw/zinc/06/98/75/1079069875.db2.gz RWKHYRWGTDXJFP-UHFFFAOYSA-N 1 3 305.466 2.273 20 0 DEADHO CC[N@@H+](CCNC(=O)CN(C)C(C)C)Cc1ccccc1C ZINC001481019423 1079069878 /nfs/dbraw/zinc/06/98/78/1079069878.db2.gz RWKHYRWGTDXJFP-UHFFFAOYSA-N 1 3 305.466 2.273 20 0 DEADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3ccc(C)cn3)C2)[C@@H]1C(C)C ZINC001550424125 1073648839 /nfs/dbraw/zinc/64/88/39/1073648839.db2.gz YGGBOXNHJLJSCK-VJANTYMQSA-N 1 3 317.477 2.349 20 0 DEADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3ccc(C)cn3)C2)[C@@H]1C(C)C ZINC001550424125 1073648837 /nfs/dbraw/zinc/64/88/37/1073648837.db2.gz YGGBOXNHJLJSCK-VJANTYMQSA-N 1 3 317.477 2.349 20 0 DEADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cc(C)ns3)C2)[C@@H]1C(C)C ZINC001550424055 1073649030 /nfs/dbraw/zinc/64/90/30/1073649030.db2.gz XNUXFXKYGHKEFZ-QAETUUGQSA-N 1 3 323.506 2.411 20 0 DEADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cc(C)ns3)C2)[C@@H]1C(C)C ZINC001550424055 1073649035 /nfs/dbraw/zinc/64/90/35/1073649035.db2.gz XNUXFXKYGHKEFZ-QAETUUGQSA-N 1 3 323.506 2.411 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC(F)(F)F)C1)N(C)C ZINC001368642781 1148545485 /nfs/dbraw/zinc/54/54/85/1148545485.db2.gz XXLZNGOGHCMEQM-XQQFMLRXSA-N 1 3 323.403 2.154 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H]([NH2+]Cc1ccc([O-])c(F)c1)[C@@H](O)C2 ZINC001550665536 1073783725 /nfs/dbraw/zinc/78/37/25/1073783725.db2.gz NSXNJRLOBANEKA-UBDQQSCGSA-N 1 3 322.424 2.101 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H]([NH2+]Cc1ccc([O-])c(F)c1)[C@@H](O)C2 ZINC001550665536 1073783728 /nfs/dbraw/zinc/78/37/28/1073783728.db2.gz NSXNJRLOBANEKA-UBDQQSCGSA-N 1 3 322.424 2.101 20 0 DEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C[NH2+]C(C)(C)C)CC1 ZINC001649728062 1079178438 /nfs/dbraw/zinc/17/84/38/1079178438.db2.gz UQIAGLGELHJTMR-AWEZNQCLSA-N 1 3 318.465 2.111 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN1C1CCCC1 ZINC001550865645 1073921641 /nfs/dbraw/zinc/92/16/41/1073921641.db2.gz CXLYLCPBPMWKCM-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN1C1CCCC1 ZINC001550865645 1073921646 /nfs/dbraw/zinc/92/16/46/1073921646.db2.gz CXLYLCPBPMWKCM-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO CN(C)C(=O)OCC[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001649750957 1079192051 /nfs/dbraw/zinc/19/20/51/1079192051.db2.gz XDQZGPUGOXSWEL-QGZVFWFLSA-N 1 3 319.449 2.139 20 0 DEADHO CN(C)C(=O)OCC[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001649750957 1079192055 /nfs/dbraw/zinc/19/20/55/1079192055.db2.gz XDQZGPUGOXSWEL-QGZVFWFLSA-N 1 3 319.449 2.139 20 0 DEADHO Cc1nc(C)c(C[NH2+]C2CCC(C)(N3CCOCC3)CC2)o1 ZINC001551238136 1074127595 /nfs/dbraw/zinc/12/75/95/1074127595.db2.gz LDCOIEDTUFSQFQ-UHFFFAOYSA-N 1 3 307.438 2.415 20 0 DEADHO C[C@H]1CN(C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)[C@@H](C)CN1 ZINC001551482432 1074236925 /nfs/dbraw/zinc/23/69/25/1074236925.db2.gz XPDGPMJXPXPBMI-WMTDPASSSA-N 1 3 322.497 2.175 20 0 DEADHO Cc1ccc(CN2CCCN(C(=O)C[C@H]([NH3+])C3CC3)CC2)cc1 ZINC001649844425 1079258811 /nfs/dbraw/zinc/25/88/11/1079258811.db2.gz ZZRVPDUMGRGLNG-SFHVURJKSA-N 1 3 315.461 2.157 20 0 DEADHO CC(C)[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCN1 ZINC001552302830 1074532175 /nfs/dbraw/zinc/53/21/75/1074532175.db2.gz APZXAWJHBBJGCF-SQNIBIBYSA-N 1 3 315.461 2.136 20 0 DEADHO CC(C)[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CCN1 ZINC001552302830 1074532180 /nfs/dbraw/zinc/53/21/80/1074532180.db2.gz APZXAWJHBBJGCF-SQNIBIBYSA-N 1 3 315.461 2.136 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H]2CCCC[NH2+]C2)N(C)C)cc1 ZINC001552420913 1074573378 /nfs/dbraw/zinc/57/33/78/1074573378.db2.gz WQUYTBOPXLGTHQ-IRXDYDNUSA-N 1 3 303.450 2.104 20 0 DEADHO CC[C@@H](C)C[C@@H](N)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC001646737657 1074588540 /nfs/dbraw/zinc/58/85/40/1074588540.db2.gz RPZCQKZFBXDLSE-RHSMWYFYSA-N 1 3 321.465 2.007 20 0 DEADHO O=C(c1cc2c(s1)CNCC2)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC001646740344 1074590487 /nfs/dbraw/zinc/59/04/87/1074590487.db2.gz LWQQRNJPGFFEOJ-CQSZACIVSA-N 1 3 319.474 2.094 20 0 DEADHO C[C@H](CNC(=O)c1cc2c(s1)C[NH2+]CC2)N1CCC(C)CC1 ZINC001646740327 1074590752 /nfs/dbraw/zinc/59/07/52/1074590752.db2.gz ODPOXGWQNBMPCX-CYBMUJFWSA-N 1 3 321.490 2.244 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)C[C@@H]([NH3+])C(C)(C)C)C2)cc1 ZINC001646777356 1074614188 /nfs/dbraw/zinc/61/41/88/1074614188.db2.gz KUXYRQFPNBIUMX-DLBZAZTESA-N 1 3 317.477 2.449 20 0 DEADHO CC1(C)[C@@H]2NCCC[C@@H]2[C@H]1[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC001553022253 1074737367 /nfs/dbraw/zinc/73/73/67/1074737367.db2.gz PVVNFTYGZXZMBZ-XJFOESAGSA-N 1 3 319.415 2.237 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC(C)C)C1 ZINC001484125708 1079314725 /nfs/dbraw/zinc/31/47/25/1079314725.db2.gz PKSNTAMENPTDME-FUHWJXTLSA-N 1 3 309.498 2.345 20 0 DEADHO CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC(=O)[C@H](N)CC1CCCCC1 ZINC001649980176 1079335532 /nfs/dbraw/zinc/33/55/32/1079335532.db2.gz XHSOSMXPHWCVEW-JJXSEGSLSA-N 1 3 307.482 2.177 20 0 DEADHO C[C@H]([NH3+])c1ccc(NC(=O)c2cnc([C@H]3CCCN3)nc2)cc1 ZINC001553360077 1074847751 /nfs/dbraw/zinc/84/77/51/1074847751.db2.gz YKZRMJQQISHIKU-XHDPSFHLSA-N 1 3 311.389 2.173 20 0 DEADHO C[NH2+][C@@H](C)CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC001647229440 1074850185 /nfs/dbraw/zinc/85/01/85/1074850185.db2.gz OEUWRGYPSYVRTI-KBPBESRZSA-N 1 3 324.494 2.182 20 0 DEADHO CCCN(C)CC(=O)NC[C@]1(C)CCC[N@H+](CCC2CC2)C1 ZINC001484175966 1079346261 /nfs/dbraw/zinc/34/62/61/1079346261.db2.gz YVHQTXRIMYWRGH-SFHVURJKSA-N 1 3 309.498 2.347 20 0 DEADHO CCCN(C)CC(=O)NC[C@]1(C)CCC[N@@H+](CCC2CC2)C1 ZINC001484175966 1079346268 /nfs/dbraw/zinc/34/62/68/1079346268.db2.gz YVHQTXRIMYWRGH-SFHVURJKSA-N 1 3 309.498 2.347 20 0 DEADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCN(CC3=CCCCC3)C2)CC1 ZINC001566671967 1075312442 /nfs/dbraw/zinc/31/24/42/1075312442.db2.gz LNSBFBUEPQUWBA-MRXNPFEDSA-N 1 3 305.466 2.019 20 0 DEADHO CCCCC[NH2+]C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001566895521 1075376803 /nfs/dbraw/zinc/37/68/03/1075376803.db2.gz JVZWYUWCPMCWRB-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCN1C ZINC001481216389 1079416389 /nfs/dbraw/zinc/41/63/89/1079416389.db2.gz ZTJOOOPIYOOKDF-NVXWUHKLSA-N 1 3 303.450 2.198 20 0 DEADHO Cc1ccc(C)c(C[NH2+]CCN(C)C(=O)[C@H](C(C)C)N(C)C)c1 ZINC001481243194 1079455961 /nfs/dbraw/zinc/45/59/61/1079455961.db2.gz ITUZFJXPYIQGKB-SFHVURJKSA-N 1 3 319.493 2.438 20 0 DEADHO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)[C@H]1NCC12CCCC2 ZINC001650321074 1079524397 /nfs/dbraw/zinc/52/43/97/1079524397.db2.gz FIXOQPWWIINAMO-CYBMUJFWSA-N 1 3 320.462 2.081 20 0 DEADHO C[C@@H](CNC(=O)c1cc2c(s1)CNCC2)C[NH+]1CCCCC1 ZINC001650336420 1079537767 /nfs/dbraw/zinc/53/77/67/1079537767.db2.gz JMYNMBYOIWXOOA-ZDUSSCGKSA-N 1 3 321.490 2.246 20 0 DEADHO O=C(Nc1ccc2c(c1)OCCNC2)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001650376147 1079572724 /nfs/dbraw/zinc/57/27/24/1079572724.db2.gz WUVWCDJEFHBHCR-CVEARBPZSA-N 1 3 315.417 2.124 20 0 DEADHO O=C(Nc1ccc2c(c1)OCCNC2)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001650376147 1079572729 /nfs/dbraw/zinc/57/27/29/1079572729.db2.gz WUVWCDJEFHBHCR-CVEARBPZSA-N 1 3 315.417 2.124 20 0 DEADHO CC(C)=CC[NH2+]CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001267918815 1079601613 /nfs/dbraw/zinc/60/16/13/1079601613.db2.gz GPDYDVLPZAOZCH-UHFFFAOYSA-N 1 3 307.482 2.267 20 0 DEADHO CCCC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H](C)C1 ZINC001671250396 1079618832 /nfs/dbraw/zinc/61/88/32/1079618832.db2.gz BUTYYBGHHPJUCP-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[C@H](C)C[NH2+]CCN(C)C(=O)CN1CCC(C)CC1 ZINC001481295648 1079675624 /nfs/dbraw/zinc/67/56/24/1079675624.db2.gz ZYLBIWGTXLJCIV-KRWDZBQOSA-N 1 3 311.514 2.449 20 0 DEADHO CCCN1CCc2ccccc2[C@H]1CNC(=O)CC[NH+](C)C ZINC001485005222 1079913136 /nfs/dbraw/zinc/91/31/36/1079913136.db2.gz WTHOOHQUNMOKHD-QGZVFWFLSA-N 1 3 303.450 2.064 20 0 DEADHO CC[C@H](F)C[NH2+]CC1CC(NC(=O)CN(C)CC(C)(C)C)C1 ZINC001485102437 1079974722 /nfs/dbraw/zinc/97/47/22/1079974722.db2.gz FAKOCIBUXKPLKF-SLTAFYQDSA-N 1 3 315.477 2.197 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1CC[NH2+]CC1CCC1 ZINC001268165254 1080146497 /nfs/dbraw/zinc/14/64/97/1080146497.db2.gz DGUUSFJKLZBYRE-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](CCNC[C@H](CC(F)F)NC(=O)OC(C)(C)C)[NH+](C)C ZINC001657744549 1080184939 /nfs/dbraw/zinc/18/49/39/1080184939.db2.gz POEPXPOCLLFTIU-NEPJUHHUSA-N 1 3 323.428 2.465 20 0 DEADHO C[C@H](CC[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)N(C)C ZINC001657744549 1080184942 /nfs/dbraw/zinc/18/49/42/1080184942.db2.gz POEPXPOCLLFTIU-NEPJUHHUSA-N 1 3 323.428 2.465 20 0 DEADHO CCCN(C)CC(=O)NC1(C[NH2+]C/C=C/Cl)CCCCC1 ZINC001485456324 1080216621 /nfs/dbraw/zinc/21/66/21/1080216621.db2.gz PFHSJNNOJDFONZ-JXMROGBWSA-N 1 3 315.889 2.489 20 0 DEADHO CC[C@@H](C(=O)NCC1C[NH+](CCC2=CCCCC2)C1)N(C)C ZINC001481647002 1080228026 /nfs/dbraw/zinc/22/80/26/1080228026.db2.gz TVNWEUQXYXJZLA-KRWDZBQOSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[N@H+](C)CC1CCC1 ZINC001660321710 1080310359 /nfs/dbraw/zinc/31/03/59/1080310359.db2.gz KPHTUZVWQHMJCK-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[N@@H+](C)CC1CCC1 ZINC001660321710 1080310364 /nfs/dbraw/zinc/31/03/64/1080310364.db2.gz KPHTUZVWQHMJCK-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001485612443 1080332409 /nfs/dbraw/zinc/33/24/09/1080332409.db2.gz PBPJNEQSUOSTIC-OSYLJGHBSA-N 1 3 321.509 2.201 20 0 DEADHO CC(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001485612443 1080332414 /nfs/dbraw/zinc/33/24/14/1080332414.db2.gz PBPJNEQSUOSTIC-OSYLJGHBSA-N 1 3 321.509 2.201 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001485651998 1080345019 /nfs/dbraw/zinc/34/50/19/1080345019.db2.gz APQIACJGLXEQGY-YESZJQIVSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001485651998 1080345023 /nfs/dbraw/zinc/34/50/23/1080345023.db2.gz APQIACJGLXEQGY-YESZJQIVSA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc(C)nc1C)N(C)C ZINC001268376565 1080396190 /nfs/dbraw/zinc/39/61/90/1080396190.db2.gz YBHSDQTVTRSNJD-RHSMWYFYSA-N 1 3 320.481 2.023 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](CCc2ccccc2)C1)N(C)C ZINC001409925023 1080565182 /nfs/dbraw/zinc/56/51/82/1080565182.db2.gz QHQUGTJQCFQWPR-YJBOKZPZSA-N 1 3 317.477 2.006 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC2(C[NH2+]C/C=C\Cl)CCCC2)C1 ZINC001481903807 1080592225 /nfs/dbraw/zinc/59/22/25/1080592225.db2.gz JUIRFFZNNQXKBQ-SMGNDMQFSA-N 1 3 313.873 2.099 20 0 DEADHO CCN(CC[NH2+]Cc1ccc(F)cc1)C(=O)CN1CC[C@H](C)C1 ZINC001268479226 1080595047 /nfs/dbraw/zinc/59/50/47/1080595047.db2.gz GDOAWQULIFRAMP-HNNXBMFYSA-N 1 3 321.440 2.106 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](C)CC1=CCCCC1 ZINC001663339473 1080733278 /nfs/dbraw/zinc/73/32/78/1080733278.db2.gz LMJRJHXDDSRHRH-KRWDZBQOSA-N 1 3 307.482 2.409 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](C)CC1=CCCCC1 ZINC001663339473 1080733283 /nfs/dbraw/zinc/73/32/83/1080733283.db2.gz LMJRJHXDDSRHRH-KRWDZBQOSA-N 1 3 307.482 2.409 20 0 DEADHO CCc1ccccc1C[NH2+]CCN(C)C(=O)CN(C)C1CCC1 ZINC001663985831 1080845423 /nfs/dbraw/zinc/84/54/23/1080845423.db2.gz NLLPPDHESQHIFM-UHFFFAOYSA-N 1 3 317.477 2.281 20 0 DEADHO CN(CCNCc1ccsc1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001664007939 1080848283 /nfs/dbraw/zinc/84/82/83/1080848283.db2.gz BVYHTYIFYLHJSN-HOTGVXAUSA-N 1 3 321.490 2.313 20 0 DEADHO CN(CCNCc1ccsc1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001664007939 1080848288 /nfs/dbraw/zinc/84/82/88/1080848288.db2.gz BVYHTYIFYLHJSN-HOTGVXAUSA-N 1 3 321.490 2.313 20 0 DEADHO CC[C@@H](C(=O)NC/C=C\C[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001268616349 1080891816 /nfs/dbraw/zinc/89/18/16/1080891816.db2.gz HXGRDWDOAIXTED-KJPDOMRESA-N 1 3 307.482 2.169 20 0 DEADHO CCCN(C)CC(=O)NC/C=C/C[NH2+][C@@H]1CCc2ccccc21 ZINC001268616270 1080892328 /nfs/dbraw/zinc/89/23/28/1080892328.db2.gz LHQNNGTUVNCIBE-IPLHWJFFSA-N 1 3 315.461 2.278 20 0 DEADHO CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001268619295 1080896845 /nfs/dbraw/zinc/89/68/45/1080896845.db2.gz SRPYSCHXVUTUSL-LXXRFIIISA-N 1 3 321.440 2.236 20 0 DEADHO CCCCC[NH2+]C[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001268704680 1080943886 /nfs/dbraw/zinc/94/38/86/1080943886.db2.gz MVUNRFOWYYWVNM-WMLDXEAASA-N 1 3 315.477 2.483 20 0 DEADHO C[C@H]([NH2+]CCCN(C)C(=O)[C@H]1CCCN1C)c1ccccc1 ZINC001268812967 1081003717 /nfs/dbraw/zinc/00/37/17/1081003717.db2.gz ZJMMYXZEDFUSIA-DOTOQJQBSA-N 1 3 303.450 2.280 20 0 DEADHO CC/C=C\CC[NH+]1CC(CNC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001268910727 1081041313 /nfs/dbraw/zinc/04/13/13/1081041313.db2.gz CUKQAAMSUYROIW-HNXFAEETSA-N 1 3 307.482 2.264 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CCC(F)(F)F ZINC001268961686 1081063965 /nfs/dbraw/zinc/06/39/65/1081063965.db2.gz FXGYRHINXFWACJ-CYBMUJFWSA-N 1 3 323.403 2.251 20 0 DEADHO CCN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CCN(CC=C(C)C)C1 ZINC001665738487 1081075269 /nfs/dbraw/zinc/07/52/69/1081075269.db2.gz VJGMFWQYUOXFPJ-SJORKVTESA-N 1 3 307.482 2.217 20 0 DEADHO CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(CC=C(C)C)C1 ZINC001665738487 1081075275 /nfs/dbraw/zinc/07/52/75/1081075275.db2.gz VJGMFWQYUOXFPJ-SJORKVTESA-N 1 3 307.482 2.217 20 0 DEADHO CC(C)(C)CCC[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001666482541 1081155111 /nfs/dbraw/zinc/15/51/11/1081155111.db2.gz WFGCUUBMTDHNAP-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C\CNCc1ccsc1 ZINC001668820236 1081401363 /nfs/dbraw/zinc/40/13/63/1081401363.db2.gz DOSUWWSDWQTWKM-QGZUEGPWSA-N 1 3 321.490 2.383 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC/C=C\CNCc1ccsc1 ZINC001668820236 1081401366 /nfs/dbraw/zinc/40/13/66/1081401366.db2.gz DOSUWWSDWQTWKM-QGZUEGPWSA-N 1 3 321.490 2.383 20 0 DEADHO CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1cc(C)cc(C)c1)N(C)C ZINC001668882471 1081407197 /nfs/dbraw/zinc/40/71/97/1081407197.db2.gz HJZWIYHLZXTAAX-JTHGQSKGSA-N 1 3 317.477 2.406 20 0 DEADHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCCCC(F)(F)F ZINC001668979162 1081414442 /nfs/dbraw/zinc/41/44/42/1081414442.db2.gz QYDOFUDHJPFNSG-DSYXLKISSA-N 1 3 321.387 2.075 20 0 DEADHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\CNCc1ccsc1 ZINC001669208757 1081438857 /nfs/dbraw/zinc/43/88/57/1081438857.db2.gz VQGPXRIKTLDKOG-YIEVGGLXSA-N 1 3 321.490 2.385 20 0 DEADHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\CNCc1ccsc1 ZINC001669208757 1081438859 /nfs/dbraw/zinc/43/88/59/1081438859.db2.gz VQGPXRIKTLDKOG-YIEVGGLXSA-N 1 3 321.490 2.385 20 0 DEADHO CC(C)N(C)CC(=O)NC/C=C/C[NH2+]Cc1ccc(Cl)cc1 ZINC001669209099 1081438868 /nfs/dbraw/zinc/43/88/68/1081438868.db2.gz YBIVLENPMUNPDJ-SNAWJCMRSA-N 1 3 323.868 2.442 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@](C)(C[NH2+]C/C=C\Cl)C1)N(C)C ZINC001270744336 1081620588 /nfs/dbraw/zinc/62/05/88/1081620588.db2.gz LPACFVJKAYQFGW-GMRZMDSISA-N 1 3 315.889 2.153 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@H](CC[NH2+]Cc2ccsc2)C1 ZINC001672868265 1081714062 /nfs/dbraw/zinc/71/40/62/1081714062.db2.gz HRTVQSUJBKHBDW-ZDUSSCGKSA-N 1 3 318.446 2.042 20 0 DEADHO CCCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001672917600 1081722142 /nfs/dbraw/zinc/72/21/42/1081722142.db2.gz XVGUTGLWEIUAES-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO CN(CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCC1)C1CCCC1 ZINC001271075815 1081896733 /nfs/dbraw/zinc/89/67/33/1081896733.db2.gz OEWJNERKRAQFFU-HDICACEKSA-N 1 3 319.493 2.479 20 0 DEADHO CN(CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCCC1)C1CCCC1 ZINC001271075815 1081896741 /nfs/dbraw/zinc/89/67/41/1081896741.db2.gz OEWJNERKRAQFFU-HDICACEKSA-N 1 3 319.493 2.479 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001625795932 1081941298 /nfs/dbraw/zinc/94/12/98/1081941298.db2.gz GDJMNBCXQXNGLK-HZPDHXFCSA-N 1 3 311.514 2.449 20 0 DEADHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCc1cccs1)N(C)C ZINC001271170158 1081972343 /nfs/dbraw/zinc/97/23/43/1081972343.db2.gz HOHFFSJXKTWXCR-UKRRQHHQSA-N 1 3 311.495 2.067 20 0 DEADHO CC(C)OCC[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397492565 1082077846 /nfs/dbraw/zinc/07/78/46/1082077846.db2.gz LTZVQVDTXLKCTL-UHFFFAOYSA-N 1 3 306.450 2.028 20 0 DEADHO CCC/C=C/CCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001670646604 1082203584 /nfs/dbraw/zinc/20/35/84/1082203584.db2.gz XOTHBAATXFPREZ-SKPMUFQZSA-N 1 3 307.482 2.264 20 0 DEADHO CCC/C=C/CCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001670646604 1082203589 /nfs/dbraw/zinc/20/35/89/1082203589.db2.gz XOTHBAATXFPREZ-SKPMUFQZSA-N 1 3 307.482 2.264 20 0 DEADHO CCC[NH2+][C@@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001482552202 1082204727 /nfs/dbraw/zinc/20/47/27/1082204727.db2.gz BRTJTQWAUHJNQY-WMLDXEAASA-N 1 3 315.477 2.339 20 0 DEADHO CCCN(C)CC(=O)NCC1CC([NH2+]CC2=CCCCC2)C1 ZINC001100901893 1082299603 /nfs/dbraw/zinc/29/96/03/1082299603.db2.gz SWTROEKYCUKUDS-UHFFFAOYSA-N 1 3 307.482 2.313 20 0 DEADHO CC[C@H](C(=O)N(C)CC[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001266741300 1082313160 /nfs/dbraw/zinc/31/31/60/1082313160.db2.gz PXOUJSUUCDWUTE-OAHLLOKOSA-N 1 3 311.857 2.228 20 0 DEADHO CC1CCN(CC(=O)N2CCC[C@@H](C[NH2+]CCC3CC3)C2)CC1 ZINC001266814309 1082364516 /nfs/dbraw/zinc/36/45/16/1082364516.db2.gz NQPIDUVNVONMEC-SFHVURJKSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCC1=CCCCC1 ZINC001266945021 1082467679 /nfs/dbraw/zinc/46/76/79/1082467679.db2.gz XDOSHTDQYXKQNT-OAHLLOKOSA-N 1 3 307.482 2.456 20 0 DEADHO C[C@H](c1ccc(Cl)cc1)N(C)CCNC(=O)CC[NH+](C)C ZINC001480908046 1082487072 /nfs/dbraw/zinc/48/70/72/1082487072.db2.gz OBGZUUGEHSXKCK-CYBMUJFWSA-N 1 3 311.857 2.401 20 0 DEADHO CCN(CC[NH2+]Cc1ccc(C)cc1)C(=O)CN(C)C1CCC1 ZINC001482930487 1082566150 /nfs/dbraw/zinc/56/61/50/1082566150.db2.gz GNHVKIXSPPXNDY-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO CC(C)(C(=O)NC/C=C/CNCc1ccsc1)[NH+]1CCCC1 ZINC001483042138 1082643962 /nfs/dbraw/zinc/64/39/62/1082643962.db2.gz FDTDGMAFXSXAOQ-ONEGZZNKSA-N 1 3 321.490 2.385 20 0 DEADHO C[C@H](C(=O)NC/C=C/CNC/C=C/Cl)[NH+]1CCCCCC1 ZINC001483069150 1082689525 /nfs/dbraw/zinc/68/95/25/1082689525.db2.gz KDRPPHXYVCSQCW-TUQFKPOUSA-N 1 3 313.873 2.265 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@H](C)c1ccccc1C)N(C)C ZINC001483139564 1082770691 /nfs/dbraw/zinc/77/06/91/1082770691.db2.gz BRFLIZGQSQABBX-BFYDXBDKSA-N 1 3 305.466 2.491 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC1CC(C)(C)C1 ZINC001483226966 1082828880 /nfs/dbraw/zinc/82/88/80/1082828880.db2.gz PGYSHNUTJYZNTM-GOEBONIOSA-N 1 3 309.498 2.390 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C/C=C/Cl)C1 ZINC001496870175 1083058918 /nfs/dbraw/zinc/05/89/18/1083058918.db2.gz RIQNFEKLEGNFBU-HYBGQWMJSA-N 1 3 313.873 2.004 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C/C=C/Cl)C1 ZINC001496870175 1083058922 /nfs/dbraw/zinc/05/89/22/1083058922.db2.gz RIQNFEKLEGNFBU-HYBGQWMJSA-N 1 3 313.873 2.004 20 0 DEADHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(CCc1c(F)cccc1F)C2 ZINC001276455496 1083445057 /nfs/dbraw/zinc/44/50/57/1083445057.db2.gz HYOWVTYAHOZFLS-CABCVRRESA-N 1 3 323.431 2.075 20 0 DEADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@H]1COC3(CCCCC3)O1)C2 ZINC001276501029 1083472644 /nfs/dbraw/zinc/47/26/44/1083472644.db2.gz YNJBMZSKGMAUPD-DLBZAZTESA-N 1 3 308.466 2.480 20 0 DEADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@H]1COC3(CCCCC3)O1)C2 ZINC001276501029 1083472649 /nfs/dbraw/zinc/47/26/49/1083472649.db2.gz YNJBMZSKGMAUPD-DLBZAZTESA-N 1 3 308.466 2.480 20 0 DEADHO CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](CC)N(C)C)CCC[C@@H]12 ZINC001107555135 1083478038 /nfs/dbraw/zinc/47/80/38/1083478038.db2.gz UZDHMESJHPFDLE-LZLYRXPVSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](CC)N(C)C)CCC[C@@H]12 ZINC001107555135 1083478040 /nfs/dbraw/zinc/47/80/40/1083478040.db2.gz UZDHMESJHPFDLE-LZLYRXPVSA-N 1 3 309.498 2.488 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001493232695 1083716207 /nfs/dbraw/zinc/71/62/07/1083716207.db2.gz GSHVGQZSNQVONR-HNNXBMFYSA-N 1 3 323.868 2.230 20 0 DEADHO Cc1cc(N2CC[C@H]3CN(Cc4cccc(=O)[nH]4)C[C@H]32)cc[nH+]1 ZINC001277064500 1083756345 /nfs/dbraw/zinc/75/63/45/1083756345.db2.gz LQRYUQTYTBTCBN-WMLDXEAASA-N 1 3 310.401 2.201 20 0 DEADHO CN(C)C(=O)[C@@H]1CCC[C@@]12CCN(CCC[NH+]1CCCCC1)C2 ZINC001277183723 1083836063 /nfs/dbraw/zinc/83/60/63/1083836063.db2.gz POJBNVREJFQPTC-HKUYNNGSSA-N 1 3 321.509 2.443 20 0 DEADHO CC/C=C/CC[N@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001277448041 1083976625 /nfs/dbraw/zinc/97/66/25/1083976625.db2.gz VUFBSVYXHMVWKE-SNAWJCMRSA-N 1 3 307.482 2.361 20 0 DEADHO CC/C=C/CC[N@@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001277448041 1083976630 /nfs/dbraw/zinc/97/66/30/1083976630.db2.gz VUFBSVYXHMVWKE-SNAWJCMRSA-N 1 3 307.482 2.361 20 0 DEADHO CN(CC(=O)N1CCC[C@@H](C[NH2+]CCC2CC2)C1)C1CCC1 ZINC001491153968 1084114446 /nfs/dbraw/zinc/11/44/46/1084114446.db2.gz OVYRADNNBXIHDL-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H](CN(C)C(=O)C(C)(C)N1CCCCC1)[NH2+]CCCF ZINC001277819719 1084161589 /nfs/dbraw/zinc/16/15/89/1084161589.db2.gz QBUYAHRAYZQNQR-CQSZACIVSA-N 1 3 301.450 2.047 20 0 DEADHO CCOC(=O)c1cc(CN2CCC3(CC2)CC[NH+](C)CC3)c[nH]1 ZINC001234950400 1084243501 /nfs/dbraw/zinc/24/35/01/1084243501.db2.gz PQZOMYCDXBGVTM-UHFFFAOYSA-N 1 3 319.449 2.499 20 0 DEADHO C[C@@H]1CNCC(F)(F)[C@@H]1CN1CCCC[C@]12CCC[NH2+]C2 ZINC001235172234 1084333586 /nfs/dbraw/zinc/33/35/86/1084333586.db2.gz KZRNSUQWGTXOMX-RBSFLKMASA-N 1 3 301.425 2.085 20 0 DEADHO C[C@H]1CNCC(F)(F)[C@H]1CN1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001235218844 1084350206 /nfs/dbraw/zinc/35/02/06/1084350206.db2.gz PWTDBNRMKBCYTE-OSMBCOQSSA-N 1 3 321.415 2.048 20 0 DEADHO Brc1cccc([C@H]2CN(C[C@@H]3CCC[NH2+]3)CCN2)c1 ZINC001235791700 1084531279 /nfs/dbraw/zinc/53/12/79/1084531279.db2.gz BYGRAVJPSCZUOZ-LSDHHAIUSA-N 1 3 324.266 2.147 20 0 DEADHO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]CC2CC2)C12CCC2)N1CCCC1 ZINC001078700623 1084815166 /nfs/dbraw/zinc/81/51/66/1084815166.db2.gz ORDOSVPFDKAJBL-HOTGVXAUSA-N 1 3 319.493 2.288 20 0 DEADHO CC(C)[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N2CCCC2)C12CCC2 ZINC001078695678 1084828362 /nfs/dbraw/zinc/82/83/62/1084828362.db2.gz PWIPPRQTSYLBFB-GJZGRUSLSA-N 1 3 307.482 2.286 20 0 DEADHO C[C@@H](CN(C)C(=O)CN1CCC(C)CC1)[NH2+]Cc1ccsc1 ZINC001485938249 1085006956 /nfs/dbraw/zinc/00/69/56/1085006956.db2.gz NVNNVNNGOOHSCL-HNNXBMFYSA-N 1 3 323.506 2.417 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CC1CC1)C2 ZINC000965933006 1085701115 /nfs/dbraw/zinc/70/11/15/1085701115.db2.gz HYYVYTWZAZEACH-APUKJBRXSA-N 1 3 319.493 2.288 20 0 DEADHO CC(C)c1ccccc1CN1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001276374320 1085857927 /nfs/dbraw/zinc/85/79/27/1085857927.db2.gz WDVBRYSBSMKDPT-UHFFFAOYSA-N 1 3 301.478 2.489 20 0 DEADHO C[C@@H](CC[NH2+]CCC1CCCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001273017606 1085972651 /nfs/dbraw/zinc/97/26/51/1085972651.db2.gz BXGUGLTZPMKLNU-CVEARBPZSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NC1CC(C[NH2+]Cc2ccccc2)C1 ZINC000962304618 1086059435 /nfs/dbraw/zinc/05/94/35/1086059435.db2.gz AAQFHDGTJWVQMX-FAEJEUNOSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H]1CCCN1CC(=O)NC1CC(C[NH2+]Cc2ccsc2)C1 ZINC000962307400 1086061088 /nfs/dbraw/zinc/06/10/88/1086061088.db2.gz RGFSOANCJPWGRU-JEYLPNPQSA-N 1 3 321.490 2.217 20 0 DEADHO [NH3+][C@H]1CC[C@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000710951457 1086691214 /nfs/dbraw/zinc/69/12/14/1086691214.db2.gz SJPLRLVRIISRBV-KZNAEPCWSA-N 1 3 315.461 2.285 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CC=C(C)C)C[C@H]2C)CC[N@@H+]1C ZINC001079733011 1088367337 /nfs/dbraw/zinc/36/73/37/1088367337.db2.gz YEDJNUUFIPDDMB-YYIAUSFCSA-N 1 3 307.482 2.119 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CC=C(C)C)C[C@H]2C)CC[N@H+]1C ZINC001079733011 1088367358 /nfs/dbraw/zinc/36/73/58/1088367358.db2.gz YEDJNUUFIPDDMB-YYIAUSFCSA-N 1 3 307.482 2.119 20 0 DEADHO CCCC[NH+]1CCC2(CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC000957613397 1088459175 /nfs/dbraw/zinc/45/91/75/1088459175.db2.gz XXGLVBOCYIWCLR-UHFFFAOYSA-N 1 3 318.465 2.457 20 0 DEADHO CC[N@H+](CC1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1)C(C)C ZINC000957720421 1088571272 /nfs/dbraw/zinc/57/12/72/1088571272.db2.gz LCLWFARESIRQNW-QGZVFWFLSA-N 1 3 309.498 2.296 20 0 DEADHO CC[N@@H+](CC1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1)C(C)C ZINC000957720421 1088571282 /nfs/dbraw/zinc/57/12/82/1088571282.db2.gz LCLWFARESIRQNW-QGZVFWFLSA-N 1 3 309.498 2.296 20 0 DEADHO CC[NH2+]C[C@@H]1c2ccccc2CCN1C(=O)[C@@H](C(C)C)N(C)C ZINC000958800168 1089191112 /nfs/dbraw/zinc/19/11/12/1089191112.db2.gz ZKVKFNZMRIVVLS-QZTJIDSGSA-N 1 3 317.477 2.308 20 0 DEADHO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCC3)C[C@H]21)N1CCCCC1 ZINC000959895924 1089833067 /nfs/dbraw/zinc/83/30/67/1089833067.db2.gz QXCCTTIEVCDCFV-FVQHAEBGSA-N 1 3 319.493 2.097 20 0 DEADHO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCC3)C[C@H]21)N1CCCCC1 ZINC000959895924 1089833085 /nfs/dbraw/zinc/83/30/85/1089833085.db2.gz QXCCTTIEVCDCFV-FVQHAEBGSA-N 1 3 319.493 2.097 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCC2)C1)N(C)C ZINC001082589523 1090012825 /nfs/dbraw/zinc/01/28/25/1090012825.db2.gz FQNDWIZSPPRCQR-DJIMGWMZSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CC1CCCCC1 ZINC001082740999 1090067229 /nfs/dbraw/zinc/06/72/29/1090067229.db2.gz MRBHQVZZPQKSCA-JFIYKMOQSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001084345898 1090273251 /nfs/dbraw/zinc/27/32/51/1090273251.db2.gz TVDBYGBZWXBUER-IAGOWNOFSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001084345898 1090273254 /nfs/dbraw/zinc/27/32/54/1090273254.db2.gz TVDBYGBZWXBUER-IAGOWNOFSA-N 1 3 321.509 2.440 20 0 DEADHO CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)N3CCCCCC3)C[C@@H]21 ZINC001085049463 1090617467 /nfs/dbraw/zinc/61/74/67/1090617467.db2.gz BYEXEYVKHWYLEX-BBWFWOEESA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)N3CCCCCC3)C[C@@H]21 ZINC001085049463 1090617472 /nfs/dbraw/zinc/61/74/72/1090617472.db2.gz BYEXEYVKHWYLEX-BBWFWOEESA-N 1 3 307.482 2.194 20 0 DEADHO Cc1ccccc1C[NH2+][C@H](C)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001410442483 1090678218 /nfs/dbraw/zinc/67/82/18/1090678218.db2.gz SSVQNLIQYHAWFM-NVXWUHKLSA-N 1 3 317.477 2.273 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCN2CCCC(C)(C)C2)C1 ZINC001412075532 1091132874 /nfs/dbraw/zinc/13/28/74/1091132874.db2.gz LEXRCASFCFYTGV-MRXNPFEDSA-N 1 3 309.498 2.347 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCN2CCCC(C)(C)C2)C1 ZINC001412075532 1091132877 /nfs/dbraw/zinc/13/28/77/1091132877.db2.gz LEXRCASFCFYTGV-MRXNPFEDSA-N 1 3 309.498 2.347 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1CCCN(Cc2ccccc2)[C@H]1C ZINC001411085967 1091329567 /nfs/dbraw/zinc/32/95/67/1091329567.db2.gz OMACDYYXZZUXAN-WMZOPIPTSA-N 1 3 317.477 2.498 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCCN(Cc2ccccc2)[C@H]1C ZINC001411085967 1091329578 /nfs/dbraw/zinc/32/95/78/1091329578.db2.gz OMACDYYXZZUXAN-WMZOPIPTSA-N 1 3 317.477 2.498 20 0 DEADHO CC(C)CCC[NH+]1CCC2(CCN(CCN(C)C)C2=O)CC1 ZINC001273425762 1091345194 /nfs/dbraw/zinc/34/51/94/1091345194.db2.gz ZCUSRHBLOPVPFC-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO c1n[nH]cc1CN1CC[C@H]2C[N@H+](C[C@H]3CCC=CO3)C[C@H]2CC1 ZINC001274892496 1091466682 /nfs/dbraw/zinc/46/66/82/1091466682.db2.gz CRZZOBJFYIVCDE-FGTMMUONSA-N 1 3 316.449 2.246 20 0 DEADHO c1n[nH]cc1CN1CC[C@H]2C[N@@H+](C[C@H]3CCC=CO3)C[C@H]2CC1 ZINC001274892496 1091466687 /nfs/dbraw/zinc/46/66/87/1091466687.db2.gz CRZZOBJFYIVCDE-FGTMMUONSA-N 1 3 316.449 2.246 20 0 DEADHO C[C@@H](F)CC[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001275009911 1091512837 /nfs/dbraw/zinc/51/28/37/1091512837.db2.gz QNOLDUNSYNSJSC-ZBFHGGJFSA-N 1 3 313.461 2.190 20 0 DEADHO CCCC[C@@H](CC)C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C)CC3)[C@H]2C1 ZINC001275044705 1091525529 /nfs/dbraw/zinc/52/55/29/1091525529.db2.gz FDRLYAOBMJPGJS-IKGGRYGDSA-N 1 3 321.509 2.345 20 0 DEADHO CCCC[C@@H](CC)C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C)CC3)[C@H]2C1 ZINC001275044705 1091525535 /nfs/dbraw/zinc/52/55/35/1091525535.db2.gz FDRLYAOBMJPGJS-IKGGRYGDSA-N 1 3 321.509 2.345 20 0 DEADHO c1cn(CCN2CC[C@@]3(C2)CCC[N@H+](Cc2cc[nH]c2)C3)cn1 ZINC001276101618 1091549778 /nfs/dbraw/zinc/54/97/78/1091549778.db2.gz CXWMTPFXEMANJY-GOSISDBHSA-N 1 3 313.449 2.199 20 0 DEADHO c1cn(CCN2CC[C@@]3(C2)CCC[N@@H+](Cc2cc[nH]c2)C3)cn1 ZINC001276101618 1091549782 /nfs/dbraw/zinc/54/97/82/1091549782.db2.gz CXWMTPFXEMANJY-GOSISDBHSA-N 1 3 313.449 2.199 20 0 DEADHO CCc1ccc(CN2CCCC3(CN(CC[NH+](C)C)C3)C2)o1 ZINC001276151267 1091604529 /nfs/dbraw/zinc/60/45/29/1091604529.db2.gz AAUZTMUTYMUXRL-UHFFFAOYSA-N 1 3 305.466 2.301 20 0 DEADHO c1cn(CCN2CC3(C2)CC[NH+](Cc2ccccc2)CC3)cn1 ZINC001275242892 1091633960 /nfs/dbraw/zinc/63/39/60/1091633960.db2.gz ISESYPZKGDEGFD-UHFFFAOYSA-N 1 3 310.445 2.481 20 0 DEADHO Cc1nc[nH]c1CN[C@@]12CC[C@@]([NH2+]Cc3cn[nH]c3)(C1)CCC2 ZINC001276206277 1091688423 /nfs/dbraw/zinc/68/84/23/1091688423.db2.gz ACRNHOBKZQMBIX-SJORKVTESA-N 1 3 314.437 2.166 20 0 DEADHO Cc1cc(CN2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)ccc1F ZINC001276230197 1091720841 /nfs/dbraw/zinc/72/08/41/1091720841.db2.gz USWSZCJPGPGXBV-ROUUACIJSA-N 1 3 305.441 2.344 20 0 DEADHO Cc1cc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)ccc1F ZINC001276230197 1091720846 /nfs/dbraw/zinc/72/08/46/1091720846.db2.gz USWSZCJPGPGXBV-ROUUACIJSA-N 1 3 305.441 2.344 20 0 DEADHO c1n[nH]cc1CN[C@@]12CC[C@@]([NH2+]Cc3cnoc3)(C1)CCC2 ZINC001276253728 1091743778 /nfs/dbraw/zinc/74/37/78/1091743778.db2.gz HJEQBWZKLPDZJU-JKSUJKDBSA-N 1 3 301.394 2.123 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CCC(C)(C)C2)CC1 ZINC000948771034 1091927460 /nfs/dbraw/zinc/92/74/60/1091927460.db2.gz MSJGLHQSFQZPQW-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@H+]1CCC[C@@H](N(C)C(=O)CN2CCC(C)(C)C2)CC1 ZINC000948771034 1091927464 /nfs/dbraw/zinc/92/74/64/1091927464.db2.gz MSJGLHQSFQZPQW-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](N(C)C(=O)CN2CCC[C@H]2C)CC1 ZINC000948775510 1091928853 /nfs/dbraw/zinc/92/88/53/1091928853.db2.gz KBTVLCPSUXBYFZ-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](N(C)C(=O)CN2CCC[C@H]2C)CC1 ZINC000948775510 1091928858 /nfs/dbraw/zinc/92/88/58/1091928858.db2.gz KBTVLCPSUXBYFZ-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H](CC[NH+](C)C)C(=O)N(CCc1ccccc1)CCN(C)C ZINC001411667960 1091981231 /nfs/dbraw/zinc/98/12/31/1091981231.db2.gz QQDUEXBHPAJJTN-KRWDZBQOSA-N 1 3 319.493 2.207 20 0 DEADHO Cc1ncsc1CN1CC2(C1)CC[NH+](Cc1ncc[nH]1)CC2 ZINC001275846787 1092223592 /nfs/dbraw/zinc/22/35/92/1092223592.db2.gz DCEUGHVTDUEXDM-UHFFFAOYSA-N 1 3 317.462 2.273 20 0 DEADHO c1c[nH]c(CN2CC[C@H]3C[N@@H+](Cc4cccnn4)C[C@H]3CC2)c1 ZINC001275874405 1092257179 /nfs/dbraw/zinc/25/71/79/1092257179.db2.gz IYSGWHZBCGWJRZ-IYBDPMFKSA-N 1 3 311.433 2.149 20 0 DEADHO c1c[nH]c(CN2CC[C@H]3C[N@H+](Cc4cccnn4)C[C@H]3CC2)c1 ZINC001275874405 1092257194 /nfs/dbraw/zinc/25/71/94/1092257194.db2.gz IYSGWHZBCGWJRZ-IYBDPMFKSA-N 1 3 311.433 2.149 20 0 DEADHO COC(C)(C)CC[NH+]1CCC2(CN(CCn3ccnc3)C2)CC1 ZINC001276026775 1092532514 /nfs/dbraw/zinc/53/25/14/1092532514.db2.gz MSUCJPXZNOZTOF-UHFFFAOYSA-N 1 3 320.481 2.096 20 0 DEADHO CC[C@H](F)CN(C)CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001490256547 1093266139 /nfs/dbraw/zinc/26/61/39/1093266139.db2.gz PCOROUKBGNFYOZ-CVEARBPZSA-N 1 3 315.477 2.437 20 0 DEADHO Clc1ccc2ncc(CN3C[C@@H]4CC[NH2+]CC[C@@H]4C3)n2c1 ZINC001236320966 1138351481 /nfs/dbraw/zinc/35/14/81/1138351481.db2.gz UVNRYFOUWOGHNM-BETUJISGSA-N 1 3 304.825 2.419 20 0 DEADHO COC(=O)[C@H]1C[N@H+](Cc2c(C)ccc3ccccc32)CC[C@@H]1N ZINC001236414110 1138359393 /nfs/dbraw/zinc/35/93/93/1138359393.db2.gz JRBFGPGBYVMSMR-ROUUACIJSA-N 1 3 312.413 2.470 20 0 DEADHO COC(=O)[C@H]1C[N@@H+](Cc2c(C)ccc3ccccc32)CC[C@@H]1N ZINC001236414110 1138359395 /nfs/dbraw/zinc/35/93/95/1138359395.db2.gz JRBFGPGBYVMSMR-ROUUACIJSA-N 1 3 312.413 2.470 20 0 DEADHO CC(C)C[N@H+](C[C@@H]1[C@@H](C)CNCC1(F)F)[C@@H]1CCCNC1 ZINC001236472629 1138366808 /nfs/dbraw/zinc/36/68/08/1138366808.db2.gz AGVFQRMAUVQXRD-RRFJBIMHSA-N 1 3 303.441 2.187 20 0 DEADHO CC(C)C[N@@H+](C[C@@H]1[C@@H](C)CNCC1(F)F)[C@@H]1CCCNC1 ZINC001236472629 1138366813 /nfs/dbraw/zinc/36/68/13/1138366813.db2.gz AGVFQRMAUVQXRD-RRFJBIMHSA-N 1 3 303.441 2.187 20 0 DEADHO CN(C)CCC[N@@H+]1CCC[C@@]2(CCCN(Cc3cn[nH]c3)C2)C1 ZINC001278049776 1138499863 /nfs/dbraw/zinc/49/98/63/1138499863.db2.gz QSEUPRQJFKHVCG-GOSISDBHSA-N 1 3 319.497 2.039 20 0 DEADHO CN(C)CCC[N@H+]1CCC[C@@]2(CCCN(Cc3cn[nH]c3)C2)C1 ZINC001278049776 1138499868 /nfs/dbraw/zinc/49/98/68/1138499868.db2.gz QSEUPRQJFKHVCG-GOSISDBHSA-N 1 3 319.497 2.039 20 0 DEADHO CN(C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCn1cccc1 ZINC001278191557 1138825111 /nfs/dbraw/zinc/82/51/11/1138825111.db2.gz DAVQICFPIKOZTI-AYHJJNSGSA-N 1 3 304.482 2.025 20 0 DEADHO CN(C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCn1cccc1 ZINC001278191557 1138825112 /nfs/dbraw/zinc/82/51/12/1138825112.db2.gz DAVQICFPIKOZTI-AYHJJNSGSA-N 1 3 304.482 2.025 20 0 DEADHO Cc1c(F)cccc1NC(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239217066 1138991480 /nfs/dbraw/zinc/99/14/80/1138991480.db2.gz QVIFNFKRXSLGPT-ZDUSSCGKSA-N 1 3 320.412 2.130 20 0 DEADHO CC(C)=CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H]1C ZINC001278308768 1139262740 /nfs/dbraw/zinc/26/27/40/1139262740.db2.gz QFYMELSBVSOLNA-SJORKVTESA-N 1 3 307.482 2.264 20 0 DEADHO c1ccc(CN2CCC=C(c3nccc(C4C[NH2+]C4)n3)C2)cc1 ZINC001240387887 1139355582 /nfs/dbraw/zinc/35/55/82/1139355582.db2.gz UWHWEXXSVFGMMM-UHFFFAOYSA-N 1 3 306.413 2.453 20 0 DEADHO CC[C@@H](F)C[NH2+]CCC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001318928195 1140470183 /nfs/dbraw/zinc/47/01/83/1140470183.db2.gz FDANPEFPVCHLJC-HZPDHXFCSA-N 1 3 315.477 2.293 20 0 DEADHO CCCC[C@@H](CC)COC[C@H](O)C[NH2+]CC1(N)CCCC1 ZINC001245971264 1140839651 /nfs/dbraw/zinc/83/96/51/1140839651.db2.gz AEVAPUHVJDJWEQ-HZPDHXFCSA-N 1 3 300.487 2.441 20 0 DEADHO CC(C)c1ccc(OC[C@H](O)CNC[C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC001245981468 1140841201 /nfs/dbraw/zinc/84/12/01/1140841201.db2.gz HHSAOEZTRFLXME-KBAYOESNSA-N 1 3 320.477 2.385 20 0 DEADHO O[C@@H](CN[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1)C(F)(F)F ZINC001246004530 1140845002 /nfs/dbraw/zinc/84/50/02/1140845002.db2.gz ZNXXAHAXYGYWLH-UONOGXRCSA-N 1 3 320.330 2.379 20 0 DEADHO CCCC[C@H](CC)COC[C@H](O)CN1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246034257 1140850839 /nfs/dbraw/zinc/85/08/39/1140850839.db2.gz XBXXVKKXUHBYBJ-HZMVEIRTSA-N 1 3 318.477 2.342 20 0 DEADHO Fc1cc(CN[C@H]2CCNC3(C[NH2+]C3)C2)c(Cl)cc1Cl ZINC001246076909 1140858120 /nfs/dbraw/zinc/85/81/20/1140858120.db2.gz PTOVUVWOEMDNEH-JTQLQIEISA-N 1 3 318.223 2.316 20 0 DEADHO F[C@H]1CNCC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001246090393 1140859697 /nfs/dbraw/zinc/85/96/97/1140859697.db2.gz FQTXWTURERSQFB-OYSTVDSJSA-N 1 3 317.452 2.472 20 0 DEADHO F[C@H]1CNCC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246090393 1140859699 /nfs/dbraw/zinc/85/96/99/1140859699.db2.gz FQTXWTURERSQFB-OYSTVDSJSA-N 1 3 317.452 2.472 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@H]1NC1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001246119858 1140863033 /nfs/dbraw/zinc/86/30/33/1140863033.db2.gz XJJJQCBMGMJYAA-CXAGYDPISA-N 1 3 319.424 2.018 20 0 DEADHO O=C1CCC2(CCC([NH2+]C3CCNCC3)CC2)N1CC1CC1 ZINC001246158430 1140867675 /nfs/dbraw/zinc/86/76/75/1140867675.db2.gz SOAOFNFZITWXEL-UHFFFAOYSA-N 1 3 305.466 2.042 20 0 DEADHO COc1ccc(CN2CCC([NH2+][C@H]3CC[C@H](C)NC3)CC2)cc1 ZINC001246171770 1140869663 /nfs/dbraw/zinc/86/96/63/1140869663.db2.gz NQKXRJVIOVKLRN-YJBOKZPZSA-N 1 3 317.477 2.390 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001246203676 1140872600 /nfs/dbraw/zinc/87/26/00/1140872600.db2.gz CUQKLGAIIMZXRZ-BRWVUGGUSA-N 1 3 301.434 2.151 20 0 DEADHO Cc1ccc(F)cc1CN1CCC([NH2+][C@@H]2CCCNC2)CC1 ZINC001246358420 1140887926 /nfs/dbraw/zinc/88/79/26/1140887926.db2.gz DWAQIUMWURYERR-GOSISDBHSA-N 1 3 305.441 2.440 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CC2CCN(C(=O)c3ccccc3)CC2)CCN1 ZINC001246371005 1140889795 /nfs/dbraw/zinc/88/97/95/1140889795.db2.gz YZWCRYMVOPPUIH-YJBOKZPZSA-N 1 3 315.461 2.269 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]C2CCN(CC(=O)c3cccs3)CC2)CCN1 ZINC001246372282 1140889988 /nfs/dbraw/zinc/88/99/88/1140889988.db2.gz ZUUVBDGEFFEBHO-UKRRQHHQSA-N 1 3 321.490 2.125 20 0 DEADHO C[C@H]1C[C@H]([NH2+]C[C@H]2CNCC(C)(C)O2)CN1Cc1ccccc1 ZINC001246411320 1140895535 /nfs/dbraw/zinc/89/55/35/1140895535.db2.gz BOXCPSOBJXTKIW-RYQLBKOJSA-N 1 3 317.477 2.006 20 0 DEADHO C[C@@H]1C[C@@H](N[C@H](CN(C)C)C23CC4CC(CC(C4)C2)C3)C[NH2+]1 ZINC001246491800 1140921165 /nfs/dbraw/zinc/92/11/65/1140921165.db2.gz UKFLTPOCWPJKCP-GSIDSRBWSA-N 1 3 305.510 2.473 20 0 DEADHO N[C@H]1CN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@H]1F ZINC001246527492 1140934672 /nfs/dbraw/zinc/93/46/72/1140934672.db2.gz DUTQPMPOYGWQJZ-ICUGJSFKSA-N 1 3 303.425 2.163 20 0 DEADHO N[C@H]1CN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@H]1F ZINC001246527492 1140934693 /nfs/dbraw/zinc/93/46/93/1140934693.db2.gz DUTQPMPOYGWQJZ-ICUGJSFKSA-N 1 3 303.425 2.163 20 0 DEADHO N[C@H]1CCC[N@@H+]([C@@H]2CCC(=O)N(Cc3ccccc3)CC2)CC1 ZINC001246545341 1140949643 /nfs/dbraw/zinc/94/96/43/1140949643.db2.gz JFBYYRATKMRWKO-ZWKOTPCHSA-N 1 3 315.461 2.381 20 0 DEADHO N[C@H]1CCC[N@H+]([C@@H]2CCC(=O)N(Cc3ccccc3)CC2)CC1 ZINC001246545341 1140949662 /nfs/dbraw/zinc/94/96/62/1140949662.db2.gz JFBYYRATKMRWKO-ZWKOTPCHSA-N 1 3 315.461 2.381 20 0 DEADHO [NH3+][C@@H]1CCCN(C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC001246547509 1140951717 /nfs/dbraw/zinc/95/17/17/1140951717.db2.gz QGLOBLQQSFVSHK-MRXNPFEDSA-N 1 3 301.434 2.104 20 0 DEADHO Cc1ccc(C[C@H](C)N2CC[NH2+]C[C@@]3(CCCCN3)C2)cc1 ZINC001246621396 1141006245 /nfs/dbraw/zinc/00/62/45/1141006245.db2.gz BNZNGYSJURJTDK-HKUYNNGSSA-N 1 3 301.478 2.344 20 0 DEADHO CCCC[C@@H](Cc1ccccc1)N1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001246643808 1141019331 /nfs/dbraw/zinc/01/93/31/1141019331.db2.gz DDTTYKDZHFALID-QYZOEREBSA-N 1 3 302.462 2.302 20 0 DEADHO C[C@@H]1C[C@H]([N@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)CCN1 ZINC001246706377 1141040870 /nfs/dbraw/zinc/04/08/70/1141040870.db2.gz KLPZPNRUDZOBLI-LVQVYYBASA-N 1 3 305.491 2.252 20 0 DEADHO C[C@@H]1C[C@H]([N@@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)CCN1 ZINC001246706377 1141040880 /nfs/dbraw/zinc/04/08/80/1141040880.db2.gz KLPZPNRUDZOBLI-LVQVYYBASA-N 1 3 305.491 2.252 20 0 DEADHO CCCC[C@@H]1C[C@@H](N2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)CC[NH2+]1 ZINC001246775654 1141055830 /nfs/dbraw/zinc/05/58/30/1141055830.db2.gz RGDQFZYNUPBMEQ-ICBNADEASA-N 1 3 322.493 2.423 20 0 DEADHO CC(C)(C)[C@H]1C[C@@H](N2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)CC[NH2+]1 ZINC001246777757 1141057848 /nfs/dbraw/zinc/05/78/48/1141057848.db2.gz VVHQLPAQAZOQKC-QXDIGNSFSA-N 1 3 322.493 2.279 20 0 DEADHO C[C@H]1CC[C@H](N(Cc2ccccc2)[C@@H]2CCNC[C@H]2F)C[NH2+]1 ZINC001246847770 1141085746 /nfs/dbraw/zinc/08/57/46/1141085746.db2.gz SCAULUCHVOUIMZ-DZJNRPSUSA-N 1 3 305.441 2.329 20 0 DEADHO CCOC(=O)[C@]12CCC[C@@H]1C[C@H]([NH2+][C@@H]1CC[C@@H]3CN(C)C[C@@H]13)C2 ZINC001474757232 1141206035 /nfs/dbraw/zinc/20/60/35/1141206035.db2.gz SDPQGENNUUQLIT-ZXDRVLLCSA-N 1 3 320.477 2.428 20 0 DEADHO c1cc2cc(-c3noc([C@@H]4CNCC45C[NH2+]C5)n3)ccc2s1 ZINC001247828301 1141542563 /nfs/dbraw/zinc/54/25/63/1141542563.db2.gz CJGSGSDICKXIHC-LBPRGKRZSA-N 1 3 312.398 2.228 20 0 DEADHO CN1CCN(CCCc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001250230121 1142099678 /nfs/dbraw/zinc/09/96/78/1142099678.db2.gz BSBMBAYTTNIHAS-UHFFFAOYSA-N 1 3 319.493 2.197 20 0 DEADHO COc1cccc([C@H](O)C[NH2+]CCc2c[nH]c3ccncc23)c1 ZINC001250735872 1142297142 /nfs/dbraw/zinc/29/71/42/1142297142.db2.gz GVVBVYMXIBEHMN-GOSISDBHSA-N 1 3 311.385 2.437 20 0 DEADHO Cc1ccccc1OC[C@@H](O)C[NH2+]CCCN1CCCCC1 ZINC001251736114 1142500651 /nfs/dbraw/zinc/50/06/51/1142500651.db2.gz ITAATTUUJBLXAI-KRWDZBQOSA-N 1 3 306.450 2.200 20 0 DEADHO C[N@H+](CC1(O)CCOCC1)C1CCN(C2CCCCC2)CC1 ZINC001252965821 1142834679 /nfs/dbraw/zinc/83/46/79/1142834679.db2.gz YZGIPGVIUKHJDR-UHFFFAOYSA-N 1 3 310.482 2.257 20 0 DEADHO C[N@@H+](CC1(O)CCOCC1)C1CCN(C2CCCCC2)CC1 ZINC001252965821 1142834680 /nfs/dbraw/zinc/83/46/80/1142834680.db2.gz YZGIPGVIUKHJDR-UHFFFAOYSA-N 1 3 310.482 2.257 20 0 DEADHO CN(CC1(O)CCOCC1)C1CC[NH+](C2CCCCC2)CC1 ZINC001252965821 1142834681 /nfs/dbraw/zinc/83/46/81/1142834681.db2.gz YZGIPGVIUKHJDR-UHFFFAOYSA-N 1 3 310.482 2.257 20 0 DEADHO NCCC[NH2+]CCCCn1cc(-c2cccc3cnccc32)nn1 ZINC001254163568 1143050624 /nfs/dbraw/zinc/05/06/24/1143050624.db2.gz ROBNKYPXHQFONF-UHFFFAOYSA-N 1 3 324.432 2.212 20 0 DEADHO CN1CCC[C@@H]([NH2+]CCc2nc(-c3ccccc3)no2)CC1 ZINC001254500471 1143147472 /nfs/dbraw/zinc/14/74/72/1143147472.db2.gz HMYQQTBAZBCSTG-OAHLLOKOSA-N 1 3 300.406 2.353 20 0 DEADHO C[N@@H+]1CCC[C@@H](NCCc2nc(-c3ccccc3)no2)CC1 ZINC001254500471 1143147509 /nfs/dbraw/zinc/14/75/09/1143147509.db2.gz HMYQQTBAZBCSTG-OAHLLOKOSA-N 1 3 300.406 2.353 20 0 DEADHO C[N@H+]1CCC[C@@H](NCCc2nc(-c3ccccc3)no2)CC1 ZINC001254500471 1143147567 /nfs/dbraw/zinc/14/75/67/1143147567.db2.gz HMYQQTBAZBCSTG-OAHLLOKOSA-N 1 3 300.406 2.353 20 0 DEADHO CCOC(=O)Cc1cccc(C[NH2+][C@H]2CCCN(C)CC2)c1 ZINC001254511265 1143159258 /nfs/dbraw/zinc/15/92/58/1143159258.db2.gz YAAROUOMVWKDND-KRWDZBQOSA-N 1 3 304.434 2.366 20 0 DEADHO CCOC(=O)Cc1cccc(CN[C@H]2CCC[N@H+](C)CC2)c1 ZINC001254511265 1143159270 /nfs/dbraw/zinc/15/92/70/1143159270.db2.gz YAAROUOMVWKDND-KRWDZBQOSA-N 1 3 304.434 2.366 20 0 DEADHO CCOC(=O)Cc1cccc(CN[C@H]2CCC[N@@H+](C)CC2)c1 ZINC001254511265 1143159292 /nfs/dbraw/zinc/15/92/92/1143159292.db2.gz YAAROUOMVWKDND-KRWDZBQOSA-N 1 3 304.434 2.366 20 0 DEADHO CN1CCC[C@H]([N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001254516749 1143174311 /nfs/dbraw/zinc/17/43/11/1143174311.db2.gz OOJMDPAIFAIAMW-GJZGRUSLSA-N 1 3 311.470 2.460 20 0 DEADHO CN1CCC[C@H]([N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001254516749 1143174335 /nfs/dbraw/zinc/17/43/35/1143174335.db2.gz OOJMDPAIFAIAMW-GJZGRUSLSA-N 1 3 311.470 2.460 20 0 DEADHO CN(CC1C[NH+]([C@H]2CCCN(C)CC2)C1)C(=O)OC(C)(C)C ZINC001254518278 1143185054 /nfs/dbraw/zinc/18/50/54/1143185054.db2.gz BOOMUGATTOOKCK-HNNXBMFYSA-N 1 3 311.470 2.269 20 0 DEADHO COc1cccnc1O[C@H]1CC[N@@H+]([C@H]2CCCN(C)CC2)C1 ZINC001254533563 1143237100 /nfs/dbraw/zinc/23/71/00/1143237100.db2.gz MMJZATXZQWMGOW-GJZGRUSLSA-N 1 3 305.422 2.028 20 0 DEADHO COc1cccnc1O[C@H]1CC[N@H+]([C@H]2CCCN(C)CC2)C1 ZINC001254533563 1143237110 /nfs/dbraw/zinc/23/71/10/1143237110.db2.gz MMJZATXZQWMGOW-GJZGRUSLSA-N 1 3 305.422 2.028 20 0 DEADHO COc1cccnc1O[C@@H]1CC[N@@H+]([C@@H]2CCCN(C)CC2)C1 ZINC001254533564 1143238221 /nfs/dbraw/zinc/23/82/21/1143238221.db2.gz MMJZATXZQWMGOW-HUUCEWRRSA-N 1 3 305.422 2.028 20 0 DEADHO COc1cccnc1O[C@@H]1CC[N@H+]([C@@H]2CCCN(C)CC2)C1 ZINC001254533564 1143238237 /nfs/dbraw/zinc/23/82/37/1143238237.db2.gz MMJZATXZQWMGOW-HUUCEWRRSA-N 1 3 305.422 2.028 20 0 DEADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCN1CCCC1)C2 ZINC001255181522 1143474611 /nfs/dbraw/zinc/47/46/11/1143474611.db2.gz YOSILKDKKMIGFJ-MUJYYYPQSA-N 1 3 309.454 2.214 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001340961552 1143509028 /nfs/dbraw/zinc/50/90/28/1143509028.db2.gz VPKNYDXTERVOGQ-STQMWFEESA-N 1 3 323.403 2.237 20 0 DEADHO CCCC[C@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001255327134 1143560759 /nfs/dbraw/zinc/56/07/59/1143560759.db2.gz WBXYGCVBCZCGOC-YVSFHVDLSA-N 1 3 305.470 2.251 20 0 DEADHO CCCC[C@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001255327134 1143560776 /nfs/dbraw/zinc/56/07/76/1143560776.db2.gz WBXYGCVBCZCGOC-YVSFHVDLSA-N 1 3 305.470 2.251 20 0 DEADHO CN1CC[C@]2(CC[N@@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001255606513 1143779119 /nfs/dbraw/zinc/77/91/19/1143779119.db2.gz CRAVYSCMPPNKTD-PBHICJAKSA-N 1 3 309.454 2.023 20 0 DEADHO CN1CC[C@]2(CC[N@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001255606513 1143779131 /nfs/dbraw/zinc/77/91/31/1143779131.db2.gz CRAVYSCMPPNKTD-PBHICJAKSA-N 1 3 309.454 2.023 20 0 DEADHO Fc1cccnc1N(C1CC[NH2+]CC1)C1CCN(C2CC2)CC1 ZINC001256081726 1143829108 /nfs/dbraw/zinc/82/91/08/1143829108.db2.gz LGKPPNZKGNBCHQ-UHFFFAOYSA-N 1 3 318.440 2.406 20 0 DEADHO c1c(C[NH2+]C2CCC(N3CCOCC3)CC2)nc2ccccn12 ZINC001256678493 1143861401 /nfs/dbraw/zinc/86/14/01/1143861401.db2.gz MYUUENSRDYIEJR-UHFFFAOYSA-N 1 3 314.433 2.067 20 0 DEADHO c1cc(C2([NH2+]C3CCC(N4CCOCC4)CC3)CC2)ccn1 ZINC001256679141 1143861871 /nfs/dbraw/zinc/86/18/71/1143861871.db2.gz FNDGXIAEGVBFFD-UHFFFAOYSA-N 1 3 301.434 2.304 20 0 DEADHO C1CC(N2CCC([NH2+]C3CCC(N4CCOCC4)CC3)CC2)C1 ZINC001256686947 1143862294 /nfs/dbraw/zinc/86/22/94/1143862294.db2.gz WWVMXVSXUCIXQC-UHFFFAOYSA-N 1 3 321.509 2.236 20 0 DEADHO CCN(CC)CC[N@H+](CC)C1CCC(N2CCOCC2)CC1 ZINC001256695321 1143863222 /nfs/dbraw/zinc/86/32/22/1143863222.db2.gz VXXVGLADPGTYEI-UHFFFAOYSA-N 1 3 311.514 2.294 20 0 DEADHO CCN(CC)CC[N@@H+](CC)C1CCC(N2CCOCC2)CC1 ZINC001256695321 1143863224 /nfs/dbraw/zinc/86/32/24/1143863224.db2.gz VXXVGLADPGTYEI-UHFFFAOYSA-N 1 3 311.514 2.294 20 0 DEADHO Clc1cnc(CNC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC001256855865 1143870954 /nfs/dbraw/zinc/87/09/54/1143870954.db2.gz ACAJAENAZSIGHJ-UHFFFAOYSA-N 1 3 303.797 2.284 20 0 DEADHO O=C(CNC1CCN(c2cc[nH+]cc2)CC1)Cc1ccccc1 ZINC001256853848 1143871131 /nfs/dbraw/zinc/87/11/31/1143871131.db2.gz WQEKAEZBXSFDKM-UHFFFAOYSA-N 1 3 309.413 2.452 20 0 DEADHO C[C@@H](CN)C[NH2+]C1CCN(c2ncccc2C(F)(F)F)CC1 ZINC001256881292 1143872797 /nfs/dbraw/zinc/87/27/97/1143872797.db2.gz HJAATOMZVDRPDN-NSHDSACASA-N 1 3 316.371 2.254 20 0 DEADHO CCOC(=O)c1ccc(C[C@@H](C)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC001257165539 1143891316 /nfs/dbraw/zinc/89/13/16/1143891316.db2.gz OXPCOYRQGMXXEK-OLMNPRSZSA-N 1 3 316.445 2.288 20 0 DEADHO CCOC(=O)c1ccc(C[C@@H](C)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1 ZINC001257165539 1143891317 /nfs/dbraw/zinc/89/13/17/1143891317.db2.gz OXPCOYRQGMXXEK-OLMNPRSZSA-N 1 3 316.445 2.288 20 0 DEADHO CC(C)[C@H]1C[C@H]([NH2+]C2CC(N)C2)CCN1C(=O)OC(C)(C)C ZINC001257178478 1143891892 /nfs/dbraw/zinc/89/18/92/1143891892.db2.gz HBTXAWUMEFUSRT-HXSCFSKGSA-N 1 3 311.470 2.490 20 0 DEADHO CC(C)[C@H]1C[C@@H](NC2(C[NH3+])CC2)CCN1C(=O)OC(C)(C)C ZINC001257188771 1143892279 /nfs/dbraw/zinc/89/22/79/1143892279.db2.gz XJISHZHQFYMWNK-UONOGXRCSA-N 1 3 311.470 2.491 20 0 DEADHO CCN1CC2(CC1=O)CCN(C1CC[NH+](C(C)C)CC1)CC2 ZINC001257223678 1143894856 /nfs/dbraw/zinc/89/48/56/1143894856.db2.gz VTTYQICTOWSKFC-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO COc1ccc2cc(CC[C@@H](C)NC[C@H](O)C[NH3+])ccc2c1 ZINC001257268841 1143896141 /nfs/dbraw/zinc/89/61/41/1143896141.db2.gz IIJWQDRFFRISPT-CXAGYDPISA-N 1 3 302.418 2.079 20 0 DEADHO C1OCC12CCC([NH2+][C@@H]1CC[C@@H](N3CCOCC3)CC1)CC2 ZINC001257902801 1143959101 /nfs/dbraw/zinc/95/91/01/1143959101.db2.gz NIFUZXATWZBVTA-JCNLHEQBSA-N 1 3 308.466 2.179 20 0 DEADHO CC(C)C[NH+]1CCC(N[C@H]2CCN(Cc3cccnc3)C2)CC1 ZINC001258008348 1143964783 /nfs/dbraw/zinc/96/47/83/1143964783.db2.gz ODSXJFSLTOPXEG-IBGZPJMESA-N 1 3 316.493 2.366 20 0 DEADHO CC(C)CN1CCC([NH+]2CCC(NC(=O)C3CC3)CC2)CC1 ZINC001258014265 1143966228 /nfs/dbraw/zinc/96/62/28/1143966228.db2.gz HKHMXGHMMFKKNJ-UHFFFAOYSA-N 1 3 307.482 2.097 20 0 DEADHO c1nc2c(n1C1CC[NH+](CCc3ccccc3)CC1)CNCC2 ZINC001258140907 1143977435 /nfs/dbraw/zinc/97/74/35/1143977435.db2.gz NKOPXHSGWABKKC-UHFFFAOYSA-N 1 3 310.445 2.408 20 0 DEADHO CNC(=O)C[N@@H+]1CCCC12CCN([C@@H]1CCC[C@H](C)C1)CC2 ZINC001258820618 1144044237 /nfs/dbraw/zinc/04/42/37/1144044237.db2.gz MNALSDVRWNGDOF-JKSUJKDBSA-N 1 3 307.482 2.242 20 0 DEADHO CNC(=O)C[N@H+]1CCCC12CCN([C@@H]1CCC[C@H](C)C1)CC2 ZINC001258820618 1144044240 /nfs/dbraw/zinc/04/42/40/1144044240.db2.gz MNALSDVRWNGDOF-JKSUJKDBSA-N 1 3 307.482 2.242 20 0 DEADHO CC/C=C/CC[NH2+][C@H]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001264393804 1144527206 /nfs/dbraw/zinc/52/72/06/1144527206.db2.gz MCLIEDANPDPEBZ-AXHPFZFWSA-N 1 3 307.482 2.311 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001264465405 1144543581 /nfs/dbraw/zinc/54/35/81/1144543581.db2.gz BPGZAPNXGRWGPA-BBWFWOEESA-N 1 3 309.498 2.413 20 0 DEADHO CC(C)=CC[NH2+]C[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001265673621 1144725764 /nfs/dbraw/zinc/72/57/64/1144725764.db2.gz JDOJFJOJBWCSIW-QGZVFWFLSA-N 1 3 307.482 2.408 20 0 DEADHO CN(CC(=O)N1CCCC[C@H]1C[NH2+]C/C=C\Cl)C1CCC1 ZINC001265674033 1144726055 /nfs/dbraw/zinc/72/60/55/1144726055.db2.gz QHTAJODDEGMMAH-ZHMISCPASA-N 1 3 313.873 2.194 20 0 DEADHO CC[C@H](C(=O)NCCC[N@H+](C)Cc1ccc(C)cc1)N(C)C ZINC001265871808 1144749318 /nfs/dbraw/zinc/74/93/18/1144749318.db2.gz GZJAULRWZDFXBA-QGZVFWFLSA-N 1 3 305.466 2.273 20 0 DEADHO CC[C@H](C(=O)NCCC[N@@H+](C)Cc1ccc(C)cc1)N(C)C ZINC001265871808 1144749321 /nfs/dbraw/zinc/74/93/21/1144749321.db2.gz GZJAULRWZDFXBA-QGZVFWFLSA-N 1 3 305.466 2.273 20 0 DEADHO CN1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1C/C=C/Cl ZINC001266204542 1144813919 /nfs/dbraw/zinc/81/39/19/1144813919.db2.gz WQYXNZGIWDFBOF-KOMYPQRHSA-N 1 3 313.873 2.194 20 0 DEADHO CN1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[N@H+]1C/C=C/Cl ZINC001266204542 1144813920 /nfs/dbraw/zinc/81/39/20/1144813920.db2.gz WQYXNZGIWDFBOF-KOMYPQRHSA-N 1 3 313.873 2.194 20 0 DEADHO CC[C@H](C(=O)NCCC[C@H]1CCC[N@@H+]1C/C=C/Cl)N(C)C ZINC001266223666 1144816276 /nfs/dbraw/zinc/81/62/76/1144816276.db2.gz VBNVXMQPRMUCGO-PAVULQLHSA-N 1 3 315.889 2.440 20 0 DEADHO CC[C@H](C(=O)NCCC[C@H]1CCC[N@H+]1C/C=C/Cl)N(C)C ZINC001266223666 1144816277 /nfs/dbraw/zinc/81/62/77/1144816277.db2.gz VBNVXMQPRMUCGO-PAVULQLHSA-N 1 3 315.889 2.440 20 0 DEADHO CC(C)=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001283534861 1145504389 /nfs/dbraw/zinc/50/43/89/1145504389.db2.gz ZRZFZAFQCBNDIR-IAGOWNOFSA-N 1 3 309.498 2.365 20 0 DEADHO C[N@@H+]1C[C@@]23CN(CCC(=O)NC4CCCC4)C[C@]2(C1)CCCC3 ZINC001365346858 1145853835 /nfs/dbraw/zinc/85/38/35/1145853835.db2.gz MEKWOVCJTXXRFH-KDURUIRLSA-N 1 3 319.493 2.243 20 0 DEADHO C[N@H+]1C[C@@]23CN(CCC(=O)NC4CCCC4)C[C@]2(C1)CCCC3 ZINC001365346858 1145853838 /nfs/dbraw/zinc/85/38/38/1145853838.db2.gz MEKWOVCJTXXRFH-KDURUIRLSA-N 1 3 319.493 2.243 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+][C@H](CO)CC2CCC2)CC1 ZINC001365600689 1145901857 /nfs/dbraw/zinc/90/18/57/1145901857.db2.gz FTSMMBBJEZOVAG-ADKAHSJRSA-N 1 3 310.482 2.161 20 0 DEADHO CC(C)=CC[NH2+][C@H]1C[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001316636139 1145983468 /nfs/dbraw/zinc/98/34/68/1145983468.db2.gz KKRUNXMYDZOWLX-WKILWMFISA-N 1 3 309.498 2.415 20 0 DEADHO CC(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001365819408 1146019357 /nfs/dbraw/zinc/01/93/57/1146019357.db2.gz IXWBNHKGNBAJAX-YESZJQIVSA-N 1 3 309.498 2.391 20 0 DEADHO CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)C3CCC3)C(C)(C)[C@H]21 ZINC001365869708 1146034804 /nfs/dbraw/zinc/03/48/04/1146034804.db2.gz FHYYCTGBVKTPMP-OIISXLGYSA-N 1 3 307.482 2.096 20 0 DEADHO CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)C3CCC3)C(C)(C)[C@H]21 ZINC001365869708 1146034807 /nfs/dbraw/zinc/03/48/07/1146034807.db2.gz FHYYCTGBVKTPMP-OIISXLGYSA-N 1 3 307.482 2.096 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C2(N(C)C)CCCC2)C1 ZINC001291557482 1146845142 /nfs/dbraw/zinc/84/51/42/1146845142.db2.gz GXNMSFYDMLLZPT-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)C2(N(C)C)CCCC2)C1 ZINC001291557482 1146845141 /nfs/dbraw/zinc/84/51/41/1146845141.db2.gz GXNMSFYDMLLZPT-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C2(N(C)C)CCC2)CC1 ZINC001366006520 1147004713 /nfs/dbraw/zinc/00/47/13/1147004713.db2.gz JOGOZHXNUOZAKA-MRXNPFEDSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C1CC1)N(C)C ZINC001366029646 1147017672 /nfs/dbraw/zinc/01/76/72/1147017672.db2.gz BAVQQDSWKUWQGM-CVEARBPZSA-N 1 3 311.514 2.493 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCC2(NC/C=C\Cl)CCC2)CC[N@@H+]1C ZINC001421754267 1171964103 /nfs/dbraw/zinc/96/41/03/1171964103.db2.gz VAQPUYGAVBMZPK-VMZLMLEMSA-N 1 3 313.873 2.098 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCC2(NC/C=C\Cl)CCC2)CC[N@H+]1C ZINC001421754267 1171964110 /nfs/dbraw/zinc/96/41/10/1171964110.db2.gz VAQPUYGAVBMZPK-VMZLMLEMSA-N 1 3 313.873 2.098 20 0 DEADHO CCc1ccccc1C[NH2+][C@@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001366342219 1147224268 /nfs/dbraw/zinc/22/42/68/1147224268.db2.gz WDNRWJPGHRMXLR-CVEARBPZSA-N 1 3 317.477 2.185 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@H](C)c1cccc(F)c1 ZINC001366347358 1147226560 /nfs/dbraw/zinc/22/65/60/1147226560.db2.gz PMHGVZOQIJJTAU-UONOGXRCSA-N 1 3 309.429 2.323 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001366370810 1147239554 /nfs/dbraw/zinc/23/95/54/1147239554.db2.gz YBYSSSKNXMIRON-OAHLLOKOSA-N 1 3 317.477 2.499 20 0 DEADHO CN(Cc1ccc(F)cc1)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001366433344 1147273902 /nfs/dbraw/zinc/27/39/02/1147273902.db2.gz BBGLHOKBUDQVBI-KRWDZBQOSA-N 1 3 321.440 2.200 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)Cc2ccccc2C)CC[N@@H+]1C ZINC001366529680 1147332659 /nfs/dbraw/zinc/33/26/59/1147332659.db2.gz ZPSFRUDUJUOQSE-ZWKOTPCHSA-N 1 3 317.477 2.273 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)Cc2ccccc2C)CC[N@H+]1C ZINC001366529680 1147332664 /nfs/dbraw/zinc/33/26/64/1147332664.db2.gz ZPSFRUDUJUOQSE-ZWKOTPCHSA-N 1 3 317.477 2.273 20 0 DEADHO CC(C)c1ccc(C[N@H+](C)CCNC(=O)[C@H]2CCCN2C)cc1 ZINC001366560798 1147354190 /nfs/dbraw/zinc/35/41/90/1147354190.db2.gz PXRHPLJZGCOTHQ-GOSISDBHSA-N 1 3 317.477 2.452 20 0 DEADHO CC(C)c1ccc(C[N@@H+](C)CCNC(=O)[C@H]2CCCN2C)cc1 ZINC001366560798 1147354194 /nfs/dbraw/zinc/35/41/94/1147354194.db2.gz PXRHPLJZGCOTHQ-GOSISDBHSA-N 1 3 317.477 2.452 20 0 DEADHO CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC001413833894 1147430254 /nfs/dbraw/zinc/43/02/54/1147430254.db2.gz OZSJIXJAHPRYAO-ROUUACIJSA-N 1 3 315.461 2.204 20 0 DEADHO CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC001413833894 1147430261 /nfs/dbraw/zinc/43/02/61/1147430261.db2.gz OZSJIXJAHPRYAO-ROUUACIJSA-N 1 3 315.461 2.204 20 0 DEADHO CCC[N@H+](CCNC(=O)Cc1nc[nH]c1C)CC1CCCC1 ZINC001366733704 1147523844 /nfs/dbraw/zinc/52/38/44/1147523844.db2.gz LCNFSXLCABOJBW-UHFFFAOYSA-N 1 3 306.454 2.279 20 0 DEADHO CCC[N@@H+](CCNC(=O)Cc1nc[nH]c1C)CC1CCCC1 ZINC001366733704 1147523849 /nfs/dbraw/zinc/52/38/49/1147523849.db2.gz LCNFSXLCABOJBW-UHFFFAOYSA-N 1 3 306.454 2.279 20 0 DEADHO Cc1ccccc1C[N@@H+](C)CCCNC(=O)CN(C)C(C)C ZINC001316868850 1147557184 /nfs/dbraw/zinc/55/71/84/1147557184.db2.gz BCFKUQYPWJVLNN-UHFFFAOYSA-N 1 3 305.466 2.273 20 0 DEADHO Cc1ccccc1C[N@H+](C)CCCNC(=O)CN(C)C(C)C ZINC001316868850 1147557191 /nfs/dbraw/zinc/55/71/91/1147557191.db2.gz BCFKUQYPWJVLNN-UHFFFAOYSA-N 1 3 305.466 2.273 20 0 DEADHO CCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001366886613 1147607855 /nfs/dbraw/zinc/60/78/55/1147607855.db2.gz XLLPXMYPYVYMOI-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001366886613 1147607857 /nfs/dbraw/zinc/60/78/57/1147607857.db2.gz XLLPXMYPYVYMOI-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CC[N@H+](C)CCC(=O)NCC1CN(Cc2ccc(C)c(C)c2)C1 ZINC001366985646 1147628543 /nfs/dbraw/zinc/62/85/43/1147628543.db2.gz FTJWONJZGUMMMG-UHFFFAOYSA-N 1 3 317.477 2.193 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCC1CN(Cc2ccc(C)c(C)c2)C1 ZINC001366985646 1147628545 /nfs/dbraw/zinc/62/85/45/1147628545.db2.gz FTJWONJZGUMMMG-UHFFFAOYSA-N 1 3 317.477 2.193 20 0 DEADHO Cc1cccc([C@H](C)[NH+]2CC(CNC(=O)CN(C)C(C)C)C2)c1 ZINC001366993643 1147629697 /nfs/dbraw/zinc/62/96/97/1147629697.db2.gz VLKGDXJBVAPJAM-INIZCTEOSA-N 1 3 317.477 2.444 20 0 DEADHO CC(C)CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC1CC[NH+](C)CC1 ZINC001367001949 1147631151 /nfs/dbraw/zinc/63/11/51/1147631151.db2.gz RTIZQWOALULKAX-ROUUACIJSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1ccc(F)cc1 ZINC001367103341 1147650374 /nfs/dbraw/zinc/65/03/74/1147650374.db2.gz QGXQXOGLATUWFX-IRXDYDNUSA-N 1 3 323.456 2.396 20 0 DEADHO CC[C@H](C(=O)NC[C@H]([NH2+]CC=C(Cl)Cl)C(C)C)N(C)C ZINC001367472978 1147699118 /nfs/dbraw/zinc/69/91/18/1147699118.db2.gz KHNJSVGLFJKPSC-NWDGAFQWSA-N 1 3 324.296 2.376 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(F)c1 ZINC001367226121 1147666478 /nfs/dbraw/zinc/66/64/78/1147666478.db2.gz UMTIRIDIPUNSQZ-QGZVFWFLSA-N 1 3 321.440 2.248 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]CC1CCCCC1 ZINC001367268592 1147671960 /nfs/dbraw/zinc/67/19/60/1147671960.db2.gz BHBJANCSLRBXTJ-JKSUJKDBSA-N 1 3 309.498 2.250 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cccc(F)c1)N(C)C ZINC001367273044 1147672671 /nfs/dbraw/zinc/67/26/71/1147672671.db2.gz ZACIORLDUXZWRT-RHSMWYFYSA-N 1 3 323.456 2.254 20 0 DEADHO CC[C@@H](F)C[NH2+]C1(CNC(=O)CN(C)C(C)C)CCCC1 ZINC001367330380 1147679002 /nfs/dbraw/zinc/67/90/02/1147679002.db2.gz LFJARMZLUBGZRC-CQSZACIVSA-N 1 3 301.450 2.093 20 0 DEADHO CC[C@H](F)C[NH2+][C@@H](CNC(=O)C(C)(C)N1CCCC1)C(C)C ZINC001367476922 1147699835 /nfs/dbraw/zinc/69/98/35/1147699835.db2.gz BGDVOQCEWPODMS-GJZGRUSLSA-N 1 3 315.477 2.339 20 0 DEADHO CC[C@@H](F)C[NH2+][C@@H](CNC(=O)C(C)(C)N1CCCC1)C(C)C ZINC001367476919 1147699859 /nfs/dbraw/zinc/69/98/59/1147699859.db2.gz BGDVOQCEWPODMS-CABCVRRESA-N 1 3 315.477 2.339 20 0 DEADHO Cc1ccc(C)c(C[N@@H+](C)CCN(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001367509007 1147705110 /nfs/dbraw/zinc/70/51/10/1147705110.db2.gz DMLPRMFPVZLVIM-SFHVURJKSA-N 1 3 317.477 2.288 20 0 DEADHO Cc1ccc(C)c(C[N@H+](C)CCN(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001367509007 1147705112 /nfs/dbraw/zinc/70/51/12/1147705112.db2.gz DMLPRMFPVZLVIM-SFHVURJKSA-N 1 3 317.477 2.288 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[N@H+](C)Cc1ccccc1C)N(C)C ZINC001367535266 1147711398 /nfs/dbraw/zinc/71/13/98/1147711398.db2.gz XNKCIWYBTJYHGC-KRWDZBQOSA-N 1 3 305.466 2.225 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)Cc1ccccc1C)N(C)C ZINC001367535266 1147711399 /nfs/dbraw/zinc/71/13/99/1147711399.db2.gz XNKCIWYBTJYHGC-KRWDZBQOSA-N 1 3 305.466 2.225 20 0 DEADHO Cc1ccc(CC[N@@H+](C)CCN(C)C(=O)CN2CCCC2)cc1 ZINC001367550575 1147714767 /nfs/dbraw/zinc/71/47/67/1147714767.db2.gz IOZYZFSZRLLWPB-UHFFFAOYSA-N 1 3 317.477 2.024 20 0 DEADHO Cc1ccc(CC[N@H+](C)CCN(C)C(=O)CN2CCCC2)cc1 ZINC001367550575 1147714768 /nfs/dbraw/zinc/71/47/68/1147714768.db2.gz IOZYZFSZRLLWPB-UHFFFAOYSA-N 1 3 317.477 2.024 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1cc2ccccc2o1)N(C)C ZINC001367698578 1147728968 /nfs/dbraw/zinc/72/89/68/1147728968.db2.gz JMXAMAFUNUAQRW-CJNGLKHVSA-N 1 3 317.433 2.367 20 0 DEADHO Cc1ccc(C[NH2+]CCN(C)C(=O)[C@H](C(C)C)N(C)C)c(C)c1 ZINC001317598257 1147730987 /nfs/dbraw/zinc/73/09/87/1147730987.db2.gz LSOLDEFNHLBHDZ-SFHVURJKSA-N 1 3 319.493 2.438 20 0 DEADHO Cc1cc(C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)N(C)C)cs1 ZINC001317625267 1147734873 /nfs/dbraw/zinc/73/48/73/1147734873.db2.gz CFIARYIDBOOHSI-OAHLLOKOSA-N 1 3 311.495 2.191 20 0 DEADHO Cc1ccc(CN(C)C[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)cc1F ZINC001367861332 1147762887 /nfs/dbraw/zinc/76/28/87/1147762887.db2.gz ZACMTUYWBMWWEX-HOCLYGCPSA-N 1 3 321.440 2.022 20 0 DEADHO Cc1ccc(CN(C)C[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)cc1F ZINC001367861332 1147762889 /nfs/dbraw/zinc/76/28/89/1147762889.db2.gz ZACMTUYWBMWWEX-HOCLYGCPSA-N 1 3 321.440 2.022 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@](C)(C[NH2+]CC3CCCC3)C2)C1 ZINC001368201993 1148321709 /nfs/dbraw/zinc/32/17/09/1148321709.db2.gz ZVPSBJRPWRBARE-VQIMIIECSA-N 1 3 321.509 2.347 20 0 DEADHO O=C(CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)NCc1ccccc1 ZINC000422851235 230242681 /nfs/dbraw/zinc/24/26/81/230242681.db2.gz WQNTVSGHPCTTTC-KZNAEPCWSA-N 1 3 315.461 2.203 20 0 DEADHO Cc1ccc(CN2CCC(C(=O)NCC[NH+](C)C)CC2)cc1F ZINC000092615871 185328966 /nfs/dbraw/zinc/32/89/66/185328966.db2.gz YNZKVKGVVSJYMA-UHFFFAOYSA-N 1 3 321.440 2.024 20 0 DEADHO COCCN(C)CCC[NH2+]Cc1cc2c(cc1OC)C[C@H](C)O2 ZINC000075800096 539359134 /nfs/dbraw/zinc/35/91/34/539359134.db2.gz IJRKPMIHJNKKIO-AWEZNQCLSA-N 1 3 322.449 2.077 20 0 DEADHO CCN(CCC[NH+](C)C)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000188512401 282302937 /nfs/dbraw/zinc/30/29/37/282302937.db2.gz VXYTYMSLQKHGHB-UHFFFAOYSA-N 1 3 320.481 2.231 20 0 DEADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCC1 ZINC000124431537 539469771 /nfs/dbraw/zinc/46/97/71/539469771.db2.gz QMJPBIVQSXCAFY-AWEZNQCLSA-N 1 3 322.497 2.033 20 0 DEADHO C[NH+](C)CC1CN(C(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000615506443 362623190 /nfs/dbraw/zinc/62/31/90/362623190.db2.gz QNXAJJGUMLPTNQ-UHFFFAOYSA-N 1 3 315.461 2.306 20 0 DEADHO C[C@@H](N[C@H]1CCN(c2ccccc2)C1=O)C1CC[NH+](C)CC1 ZINC000129098066 539487970 /nfs/dbraw/zinc/48/79/70/539487970.db2.gz BLLRBYKUAVSHLC-PBHICJAKSA-N 1 3 301.434 2.112 20 0 DEADHO CCC(CC)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCOCC1 ZINC000166105065 539608991 /nfs/dbraw/zinc/60/89/91/539608991.db2.gz BLOUNJCAONVUAY-QRVBRYPASA-N 1 3 323.525 2.340 20 0 DEADHO CCC(CC)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCOCC1 ZINC000166105065 539608994 /nfs/dbraw/zinc/60/89/94/539608994.db2.gz BLOUNJCAONVUAY-QRVBRYPASA-N 1 3 323.525 2.340 20 0 DEADHO COC[C@@H]1CCCN(CC[C@@H](C)[N@@H+]2CCC[C@H](COC)C2)C1 ZINC000245696307 539757741 /nfs/dbraw/zinc/75/77/41/539757741.db2.gz SDPOGALUIFFNIK-KURKYZTESA-N 1 3 312.498 2.482 20 0 DEADHO COC[C@@H]1CCCN(CC[C@@H](C)[N@H+]2CCC[C@H](COC)C2)C1 ZINC000245696307 539757746 /nfs/dbraw/zinc/75/77/46/539757746.db2.gz SDPOGALUIFFNIK-KURKYZTESA-N 1 3 312.498 2.482 20 0 DEADHO COC[C@@H]1CCC[N@@H+](CC[C@@H](C)N2CCC[C@H](COC)C2)C1 ZINC000245696307 539757750 /nfs/dbraw/zinc/75/77/50/539757750.db2.gz SDPOGALUIFFNIK-KURKYZTESA-N 1 3 312.498 2.482 20 0 DEADHO COC[C@@H]1CCC[N@H+](CC[C@@H](C)N2CCC[C@H](COC)C2)C1 ZINC000245696307 539757755 /nfs/dbraw/zinc/75/77/55/539757755.db2.gz SDPOGALUIFFNIK-KURKYZTESA-N 1 3 312.498 2.482 20 0 DEADHO C[NH+]1CCC([C@H]2CCN(C(=O)C3CCN(C4CC4)CC3)C2)CC1 ZINC000365126015 282718907 /nfs/dbraw/zinc/71/89/07/282718907.db2.gz RDHDJZGDECYZFP-KRWDZBQOSA-N 1 3 319.493 2.051 20 0 DEADHO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)N1[C@H](C)CC[C@@H]1C ZINC000616994818 362986116 /nfs/dbraw/zinc/98/61/16/362986116.db2.gz FXWHROKBKBSBJD-QXSJWSMHSA-N 1 3 309.498 2.484 20 0 DEADHO C[C@H](C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)N1[C@H](C)CC[C@@H]1C ZINC000616994818 362986119 /nfs/dbraw/zinc/98/61/19/362986119.db2.gz FXWHROKBKBSBJD-QXSJWSMHSA-N 1 3 309.498 2.484 20 0 DEADHO CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000303144922 539861210 /nfs/dbraw/zinc/86/12/10/539861210.db2.gz NWLAVKQMVUSADP-ROUUACIJSA-N 1 3 317.477 2.388 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc2c1CCNC2 ZINC000322274592 539901959 /nfs/dbraw/zinc/90/19/59/539901959.db2.gz LPPUQLVSVXHZNY-OAHLLOKOSA-N 1 3 315.461 2.327 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cccc2c1CCNC2 ZINC000322274592 539901962 /nfs/dbraw/zinc/90/19/62/539901962.db2.gz LPPUQLVSVXHZNY-OAHLLOKOSA-N 1 3 315.461 2.327 20 0 DEADHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(OC)cc2)C1 ZINC000072859562 191242206 /nfs/dbraw/zinc/24/22/06/191242206.db2.gz IZFRWAYCVAATFV-HNNXBMFYSA-N 1 3 319.449 2.297 20 0 DEADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(OC)cc2)C1 ZINC000072859562 191242207 /nfs/dbraw/zinc/24/22/07/191242207.db2.gz IZFRWAYCVAATFV-HNNXBMFYSA-N 1 3 319.449 2.297 20 0 DEADHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000072860030 191243550 /nfs/dbraw/zinc/24/35/50/191243550.db2.gz FPNCQYXFYAMRML-CQSZACIVSA-N 1 3 307.413 2.428 20 0 DEADHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000072860030 191243553 /nfs/dbraw/zinc/24/35/53/191243553.db2.gz FPNCQYXFYAMRML-CQSZACIVSA-N 1 3 307.413 2.428 20 0 DEADHO [NH3+]C[C@H]1CCN(C(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000333858995 539974181 /nfs/dbraw/zinc/97/41/81/539974181.db2.gz YYHVJJHTLJRKQM-MRXNPFEDSA-N 1 3 322.497 2.023 20 0 DEADHO CN(C)CCOc1ccccc1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339066555 539986419 /nfs/dbraw/zinc/98/64/19/539986419.db2.gz FYGNDRQQSYNGHG-ROUUACIJSA-N 1 3 317.477 2.343 20 0 DEADHO CN(C)CCOc1ccccc1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339066555 539986425 /nfs/dbraw/zinc/98/64/25/539986425.db2.gz FYGNDRQQSYNGHG-ROUUACIJSA-N 1 3 317.477 2.343 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)N(CCN(C)C)Cc1ccco1 ZINC000339241786 539987193 /nfs/dbraw/zinc/98/71/93/539987193.db2.gz RSCUVGDBUZTORS-MRXNPFEDSA-N 1 3 321.465 2.434 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCC(=O)N(CCN(C)C)Cc1ccco1 ZINC000339241786 539987195 /nfs/dbraw/zinc/98/71/95/539987195.db2.gz RSCUVGDBUZTORS-MRXNPFEDSA-N 1 3 321.465 2.434 20 0 DEADHO CN(CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccc(F)cc1 ZINC000339067705 539986134 /nfs/dbraw/zinc/98/61/34/539986134.db2.gz KUJFWTSWKWOCLW-MSOLQXFVSA-N 1 3 305.441 2.474 20 0 DEADHO CN(CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccc(F)cc1 ZINC000339067705 539986137 /nfs/dbraw/zinc/98/61/37/539986137.db2.gz KUJFWTSWKWOCLW-MSOLQXFVSA-N 1 3 305.441 2.474 20 0 DEADHO CCN(CC)CC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000174410437 198331951 /nfs/dbraw/zinc/33/19/51/198331951.db2.gz UTOZFJHBPJGZSF-MRXNPFEDSA-N 1 3 305.466 2.355 20 0 DEADHO CCN(CC)CC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000174410437 198331953 /nfs/dbraw/zinc/33/19/53/198331953.db2.gz UTOZFJHBPJGZSF-MRXNPFEDSA-N 1 3 305.466 2.355 20 0 DEADHO CCN(CC)CC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000174410448 198332077 /nfs/dbraw/zinc/33/20/77/198332077.db2.gz UTOZFJHBPJGZSF-INIZCTEOSA-N 1 3 305.466 2.355 20 0 DEADHO CCN(CC)CC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000174410448 198332079 /nfs/dbraw/zinc/33/20/79/198332079.db2.gz UTOZFJHBPJGZSF-INIZCTEOSA-N 1 3 305.466 2.355 20 0 DEADHO C[C@@H](C[NH+](C)C)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000412349848 295886003 /nfs/dbraw/zinc/88/60/03/295886003.db2.gz VXGWESISRXSZDH-HNNXBMFYSA-N 1 3 303.450 2.352 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000067595081 354770006 /nfs/dbraw/zinc/77/00/06/354770006.db2.gz GXBXRAMLECLUJO-GOSISDBHSA-N 1 3 317.477 2.355 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000067595081 354770011 /nfs/dbraw/zinc/77/00/11/354770011.db2.gz GXBXRAMLECLUJO-GOSISDBHSA-N 1 3 317.477 2.355 20 0 DEADHO C[C@@H](N[C@H]1CCc2ccccc2NC1=O)C1CC[NH+](C)CC1 ZINC000396460177 540139409 /nfs/dbraw/zinc/13/94/09/540139409.db2.gz DSAATMSOZHSIFZ-DYVFJYSZSA-N 1 3 301.434 2.260 20 0 DEADHO C[C@H](NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H](c1ccccc1)N(C)C ZINC000418178469 540170232 /nfs/dbraw/zinc/17/02/32/540170232.db2.gz IWFANHGSBKYGSI-SVGFKBNWSA-N 1 3 318.465 2.247 20 0 DEADHO C[C@H](CCN(C)C[C@@H]1CCCOC1)[N@H+](C)C[C@H]1CCCOC1 ZINC000431601933 540176513 /nfs/dbraw/zinc/17/65/13/540176513.db2.gz GBAYCHNHAQPPOU-FGTMMUONSA-N 1 3 312.498 2.482 20 0 DEADHO C[C@H](CCN(C)C[C@@H]1CCCOC1)[N@@H+](C)C[C@H]1CCCOC1 ZINC000431601933 540176515 /nfs/dbraw/zinc/17/65/15/540176515.db2.gz GBAYCHNHAQPPOU-FGTMMUONSA-N 1 3 312.498 2.482 20 0 DEADHO C[C@H](CC[N@H+](C)C[C@@H]1CCCOC1)N(C)C[C@H]1CCCOC1 ZINC000431601933 540176518 /nfs/dbraw/zinc/17/65/18/540176518.db2.gz GBAYCHNHAQPPOU-FGTMMUONSA-N 1 3 312.498 2.482 20 0 DEADHO C[C@H](CC[N@@H+](C)C[C@@H]1CCCOC1)N(C)C[C@H]1CCCOC1 ZINC000431601933 540176520 /nfs/dbraw/zinc/17/65/20/540176520.db2.gz GBAYCHNHAQPPOU-FGTMMUONSA-N 1 3 312.498 2.482 20 0 DEADHO COC[C@]1(C)CCN(CC[C@@H](C)[N@@H+]2CC[C@](C)(COC)C2)C1 ZINC000451203561 540189455 /nfs/dbraw/zinc/18/94/55/540189455.db2.gz QGIUODWYFRZWRE-KURKYZTESA-N 1 3 312.498 2.482 20 0 DEADHO COC[C@]1(C)CCN(CC[C@@H](C)[N@H+]2CC[C@](C)(COC)C2)C1 ZINC000451203561 540189457 /nfs/dbraw/zinc/18/94/57/540189457.db2.gz QGIUODWYFRZWRE-KURKYZTESA-N 1 3 312.498 2.482 20 0 DEADHO COC[C@]1(C)CC[N@@H+](CC[C@@H](C)N2CC[C@](C)(COC)C2)C1 ZINC000451203561 540189461 /nfs/dbraw/zinc/18/94/61/540189461.db2.gz QGIUODWYFRZWRE-KURKYZTESA-N 1 3 312.498 2.482 20 0 DEADHO COC[C@]1(C)CC[N@H+](CC[C@@H](C)N2CC[C@](C)(COC)C2)C1 ZINC000451203561 540189464 /nfs/dbraw/zinc/18/94/64/540189464.db2.gz QGIUODWYFRZWRE-KURKYZTESA-N 1 3 312.498 2.482 20 0 DEADHO COC[C@]1(C)CCN(CC[C@H](C)[N@@H+]2CC[C@@](C)(COC)C2)C1 ZINC000451203563 540189586 /nfs/dbraw/zinc/18/95/86/540189586.db2.gz QGIUODWYFRZWRE-RCCFBDPRSA-N 1 3 312.498 2.482 20 0 DEADHO COC[C@]1(C)CCN(CC[C@H](C)[N@H+]2CC[C@@](C)(COC)C2)C1 ZINC000451203563 540189587 /nfs/dbraw/zinc/18/95/87/540189587.db2.gz QGIUODWYFRZWRE-RCCFBDPRSA-N 1 3 312.498 2.482 20 0 DEADHO COC[C@]1(C)CCN([C@@H](C)CC[N@@H+]2CC[C@@](C)(COC)C2)C1 ZINC000451203563 540189588 /nfs/dbraw/zinc/18/95/88/540189588.db2.gz QGIUODWYFRZWRE-RCCFBDPRSA-N 1 3 312.498 2.482 20 0 DEADHO COC[C@]1(C)CCN([C@@H](C)CC[N@H+]2CC[C@@](C)(COC)C2)C1 ZINC000451203563 540189589 /nfs/dbraw/zinc/18/95/89/540189589.db2.gz QGIUODWYFRZWRE-RCCFBDPRSA-N 1 3 312.498 2.482 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)CCC2 ZINC000119758486 355787836 /nfs/dbraw/zinc/78/78/36/355787836.db2.gz MXKMPRZFYFBDCE-UHFFFAOYSA-N 1 3 318.465 2.132 20 0 DEADHO CSc1cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000119674873 355788212 /nfs/dbraw/zinc/78/82/12/355788212.db2.gz JFPFCGZFIPLOME-UHFFFAOYSA-N 1 3 324.494 2.366 20 0 DEADHO C[NH+](C)CC[C@H](NC(=O)N[C@@H]1CCN(CC2CC2)C1)C(C)(C)C ZINC000116566550 355774811 /nfs/dbraw/zinc/77/48/11/355774811.db2.gz QYJUTFUFCNGASE-CVEARBPZSA-N 1 3 324.513 2.136 20 0 DEADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2scnc2C2CC2)CC1 ZINC000487313757 540212053 /nfs/dbraw/zinc/21/20/53/540212053.db2.gz BLHZIRZVHLWWFR-CQSZACIVSA-N 1 3 322.522 2.384 20 0 DEADHO C[C@H](CNC(=O)NCC[C@@H](C)[NH+]1CCCCC1)N(C)C1CC1 ZINC000181711068 356091639 /nfs/dbraw/zinc/09/16/39/356091639.db2.gz XNHMJLWUQVTATA-HUUCEWRRSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H](C1CC1)[N@H+](C)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000248398081 356321924 /nfs/dbraw/zinc/32/19/24/356321924.db2.gz MPLDBJPXMVFPNY-WMLDXEAASA-N 1 3 303.450 2.136 20 0 DEADHO C[C@@H](C1CC1)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000248398081 356321931 /nfs/dbraw/zinc/32/19/31/356321931.db2.gz MPLDBJPXMVFPNY-WMLDXEAASA-N 1 3 303.450 2.136 20 0 DEADHO C[C@H](C1CC1)[N@H+](C)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000248398080 356321953 /nfs/dbraw/zinc/32/19/53/356321953.db2.gz MPLDBJPXMVFPNY-RHSMWYFYSA-N 1 3 303.450 2.136 20 0 DEADHO C[C@H](C1CC1)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000248398080 356321955 /nfs/dbraw/zinc/32/19/55/356321955.db2.gz MPLDBJPXMVFPNY-RHSMWYFYSA-N 1 3 303.450 2.136 20 0 DEADHO C[C@H](Cn1cccn1)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000237587388 356299086 /nfs/dbraw/zinc/29/90/86/356299086.db2.gz KCDGFSSJJCCSBQ-OAHLLOKOSA-N 1 3 302.422 2.002 20 0 DEADHO C[C@H](Cn1cccn1)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000237587388 356299087 /nfs/dbraw/zinc/29/90/87/356299087.db2.gz KCDGFSSJJCCSBQ-OAHLLOKOSA-N 1 3 302.422 2.002 20 0 DEADHO O=C(CNC1CC1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000238167737 356303030 /nfs/dbraw/zinc/30/30/30/356303030.db2.gz NRHIOMCNIHDTRF-UHFFFAOYSA-N 1 3 315.461 2.431 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CCCN1Cc1ccccc1)[C@@H](C)[NH3+] ZINC000399388538 283152313 /nfs/dbraw/zinc/15/23/13/283152313.db2.gz RLGWUQSTOBHRSK-NXHRZFHOSA-N 1 3 317.477 2.387 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[C@H](C)[NH3+] ZINC000399389072 283152514 /nfs/dbraw/zinc/15/25/14/283152514.db2.gz ROHNRXXLYUSFRT-SZMVWBNQSA-N 1 3 317.477 2.387 20 0 DEADHO C[C@H](NC[C@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCC[NH2+]1 ZINC000400363736 283155966 /nfs/dbraw/zinc/15/59/66/283155966.db2.gz QVWLTERKKAYOMO-WDSOQIARSA-N 1 3 317.477 2.008 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CC[NH2+][C@@H]1C)c1ccccc1 ZINC000316030746 356427057 /nfs/dbraw/zinc/42/70/57/356427057.db2.gz DPYBAQRRKDITHE-DJIMGWMZSA-N 1 3 303.450 2.184 20 0 DEADHO CN(C)CCOc1ccc(NC(=O)CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000320828298 356447182 /nfs/dbraw/zinc/44/71/82/356447182.db2.gz NGHRSGGKAYJIMJ-HNNXBMFYSA-N 1 3 319.449 2.345 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000618354943 363470665 /nfs/dbraw/zinc/47/06/65/363470665.db2.gz LNJHUDKWMIYSRZ-GOSISDBHSA-N 1 3 317.477 2.104 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000618354943 363470670 /nfs/dbraw/zinc/47/06/70/363470670.db2.gz LNJHUDKWMIYSRZ-GOSISDBHSA-N 1 3 317.477 2.104 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000236881237 202049002 /nfs/dbraw/zinc/04/90/02/202049002.db2.gz NFVNZNRNVACVGP-BRWVUGGUSA-N 1 3 303.450 2.313 20 0 DEADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)CCC[NH2+]C ZINC000236903368 202063711 /nfs/dbraw/zinc/06/37/11/202063711.db2.gz NGGNZCDVURAPKD-SFHVURJKSA-N 1 3 317.477 2.357 20 0 DEADHO Cc1ccc(F)c(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423155590 283195892 /nfs/dbraw/zinc/19/58/92/283195892.db2.gz QUZRGQHKPFKUDG-RYQLBKOJSA-N 1 3 306.425 2.423 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000423767547 283197805 /nfs/dbraw/zinc/19/78/05/283197805.db2.gz DKGIBLKUMPQVNF-XJKSGUPXSA-N 1 3 309.429 2.105 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000423767547 283197809 /nfs/dbraw/zinc/19/78/09/283197809.db2.gz DKGIBLKUMPQVNF-XJKSGUPXSA-N 1 3 309.429 2.105 20 0 DEADHO C[C@H](C(=O)N1CCC[C@H]([NH+](C)C)CC1)[C@H](N)c1ccccc1 ZINC000423785683 283202255 /nfs/dbraw/zinc/20/22/55/283202255.db2.gz UISWZPVEEJMNFK-XIRDDKMYSA-N 1 3 303.450 2.265 20 0 DEADHO CN(C)C[C@H](NC(=O)C[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000237029847 202128640 /nfs/dbraw/zinc/12/86/40/202128640.db2.gz YMBDAHDBYMCWLM-MSOLQXFVSA-N 1 3 311.429 2.496 20 0 DEADHO C[C@@H](C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)CN(C)C ZINC000381827316 356673275 /nfs/dbraw/zinc/67/32/75/356673275.db2.gz HTXKNPQLAUAXSV-AWEZNQCLSA-N 1 3 313.486 2.421 20 0 DEADHO C[C@@H](C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C)[C@H](C)[NH3+] ZINC000382755250 356678193 /nfs/dbraw/zinc/67/81/93/356678193.db2.gz GWPJPHCIOJYTAK-XHSDSOJGSA-N 1 3 303.450 2.093 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000379667627 356667884 /nfs/dbraw/zinc/66/78/84/356667884.db2.gz BSWDPLZRQNVQBW-MXSMSXNCSA-N 1 3 315.461 2.011 20 0 DEADHO CC(C)[NH+]1CCC(NC[C@H](O)COCc2ccccc2)CC1 ZINC000387475998 356704959 /nfs/dbraw/zinc/70/49/59/356704959.db2.gz ZXKYKPFBGBUYKH-SFHVURJKSA-N 1 3 306.450 2.027 20 0 DEADHO C[N@H+](C[C@H](O)CNCC1(c2ccc(F)cc2F)CC1)C1CC1 ZINC000578064170 356755741 /nfs/dbraw/zinc/75/57/41/356755741.db2.gz XELDAYFMMUIBCC-CQSZACIVSA-N 1 3 310.388 2.041 20 0 DEADHO C[N@@H+](C[C@H](O)CNCC1(c2ccc(F)cc2F)CC1)C1CC1 ZINC000578064170 356755745 /nfs/dbraw/zinc/75/57/45/356755745.db2.gz XELDAYFMMUIBCC-CQSZACIVSA-N 1 3 310.388 2.041 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2(N)CCC2)CC1 ZINC000578135046 356767526 /nfs/dbraw/zinc/76/75/26/356767526.db2.gz OWWQIQQQYWCMOR-HNNXBMFYSA-N 1 3 307.482 2.371 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2(N)CCC2)CC1 ZINC000578135046 356767533 /nfs/dbraw/zinc/76/75/33/356767533.db2.gz OWWQIQQQYWCMOR-HNNXBMFYSA-N 1 3 307.482 2.371 20 0 DEADHO C[NH+](C)[C@H](CNC(=O)[C@H](CN)c1ccccc1)C1CCCCC1 ZINC000237198153 202186734 /nfs/dbraw/zinc/18/67/34/202186734.db2.gz NLIYIBCAYVABEE-QZTJIDSGSA-N 1 3 317.477 2.356 20 0 DEADHO O=C(CC[NH2+]C1CC1)NCC1CCN(Cc2cccs2)CC1 ZINC000579023865 356909544 /nfs/dbraw/zinc/90/95/44/356909544.db2.gz BYYDYMUZQGTBAQ-UHFFFAOYSA-N 1 3 321.490 2.218 20 0 DEADHO CN[C@@H](C)C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000578906315 356891206 /nfs/dbraw/zinc/89/12/06/356891206.db2.gz LWJXHXQLMGBXOM-AWEZNQCLSA-N 1 3 305.422 2.016 20 0 DEADHO [NH3+][C@@H]1C[C@H](Nc2ccc(N3CCNCC3)cn2)c2ccccc21 ZINC000579822507 357035794 /nfs/dbraw/zinc/03/57/94/357035794.db2.gz WTNQSVJAINBXNS-SJORKVTESA-N 1 3 309.417 2.048 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000178731936 198919162 /nfs/dbraw/zinc/91/91/62/198919162.db2.gz OMJSFTXXBDWRSL-QAPCUYQASA-N 1 3 317.477 2.388 20 0 DEADHO [NH3+]CCN(Cc1ccccc1)C(=O)C[C@@H]1NCc2ccccc21 ZINC000662551873 540332053 /nfs/dbraw/zinc/33/20/53/540332053.db2.gz HIGJCFNPYCMBFM-SFHVURJKSA-N 1 3 309.413 2.209 20 0 DEADHO C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000662685974 540332810 /nfs/dbraw/zinc/33/28/10/540332810.db2.gz JKBZHKKIPBGJSV-HZPDHXFCSA-N 1 3 319.449 2.310 20 0 DEADHO C[C@H](NC1CC1)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000449122933 299268703 /nfs/dbraw/zinc/26/87/03/299268703.db2.gz BBIIGFTZDLKBDC-OWCLPIDISA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H](NC1CC1)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000449122933 299268706 /nfs/dbraw/zinc/26/87/06/299268706.db2.gz BBIIGFTZDLKBDC-OWCLPIDISA-N 1 3 307.482 2.240 20 0 DEADHO CC[C@@H](NCc1ccc(C[NH3+])cc1F)C1(C(=O)OC)CCC1 ZINC000593320710 358053968 /nfs/dbraw/zinc/05/39/68/358053968.db2.gz DOFQVIUOQXCYLT-OAHLLOKOSA-N 1 3 308.397 2.496 20 0 DEADHO CCCN1CC[C@H](NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000666926690 540364402 /nfs/dbraw/zinc/36/44/02/540364402.db2.gz WEWRRCLCVAETGK-DLBZAZTESA-N 1 3 322.497 2.131 20 0 DEADHO COc1cc2c(cc1CN[C@@H]1CC13CC[NH2+]CC3)O[C@@H](C)C2 ZINC000666952035 540368701 /nfs/dbraw/zinc/36/87/01/540368701.db2.gz CLARDAMUPGIACE-YVEFUNNKSA-N 1 3 302.418 2.250 20 0 DEADHO CSCC[C@H](N)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000237315495 202228325 /nfs/dbraw/zinc/22/83/25/202228325.db2.gz JNWXROIPQWFALR-HOCLYGCPSA-N 1 3 323.506 2.094 20 0 DEADHO CSCC[C@H](N)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000237315495 202228328 /nfs/dbraw/zinc/22/83/28/202228328.db2.gz JNWXROIPQWFALR-HOCLYGCPSA-N 1 3 323.506 2.094 20 0 DEADHO CCN(CC[NH3+])C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000626994481 366395478 /nfs/dbraw/zinc/39/54/78/366395478.db2.gz FPRCTSDVBDQSIG-WBVHZDCISA-N 1 3 318.465 2.030 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000594953206 358367252 /nfs/dbraw/zinc/36/72/52/358367252.db2.gz DKPVZBAOISLWKY-WBVHZDCISA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000594953206 358367255 /nfs/dbraw/zinc/36/72/55/358367255.db2.gz DKPVZBAOISLWKY-WBVHZDCISA-N 1 3 322.497 2.034 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCC3(C)C)CC2)CC1 ZINC000667642080 540494771 /nfs/dbraw/zinc/49/47/71/540494771.db2.gz NXKRNIAPOBJWSM-INIZCTEOSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000601243070 359978809 /nfs/dbraw/zinc/97/88/09/359978809.db2.gz IABNHRCMAPSYEW-HZPDHXFCSA-N 1 3 310.486 2.033 20 0 DEADHO COC(=O)c1ccc(CNCCCCC[NH+]2CCCC2)n1C ZINC000602026509 360245151 /nfs/dbraw/zinc/24/51/51/360245151.db2.gz XRWJGQNXQIIHRH-UHFFFAOYSA-N 1 3 307.438 2.167 20 0 DEADHO N[C@@H](CC1CCCCC1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000262557438 283548030 /nfs/dbraw/zinc/54/80/30/283548030.db2.gz UNHZYFMGNDJUMY-IRXDYDNUSA-N 1 3 307.482 2.371 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)cc1 ZINC000668706245 540714117 /nfs/dbraw/zinc/71/41/17/540714117.db2.gz RAVXARJKXRBBQS-SJORKVTESA-N 1 3 304.434 2.095 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)cc1 ZINC000668706245 540714120 /nfs/dbraw/zinc/71/41/20/540714120.db2.gz RAVXARJKXRBBQS-SJORKVTESA-N 1 3 304.434 2.095 20 0 DEADHO COC(=O)[C@](C)(CN[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000602628595 360465657 /nfs/dbraw/zinc/46/56/57/360465657.db2.gz HIYXLCCBEDPLRG-QILLFSRXSA-N 1 3 304.434 2.190 20 0 DEADHO COC(=O)[C@](C)(CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000602628595 360465661 /nfs/dbraw/zinc/46/56/61/360465661.db2.gz HIYXLCCBEDPLRG-QILLFSRXSA-N 1 3 304.434 2.190 20 0 DEADHO CCOC(=O)c1ccc(CN2CCC3(C2)CC[NH+](C)CC3)nc1 ZINC000602878344 360605842 /nfs/dbraw/zinc/60/58/42/360605842.db2.gz PYDRQULWAMVKCP-UHFFFAOYSA-N 1 3 317.433 2.176 20 0 DEADHO Cc1ccccc1CCNC(=O)[C@H](C)N1CCC[C@@H](CC[NH3+])C1 ZINC000443057860 238099806 /nfs/dbraw/zinc/09/98/06/238099806.db2.gz IJYDULSJSODSGO-IRXDYDNUSA-N 1 3 317.477 2.103 20 0 DEADHO Cc1ccccc1C[C@@H](C)NC(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000443062946 238100771 /nfs/dbraw/zinc/10/07/71/238100771.db2.gz YFAKBVIRIGNAOZ-IAGOWNOFSA-N 1 3 317.477 2.103 20 0 DEADHO NCc1cc(NC(=O)CC2([NH3+])CCC2)cc(C(F)(F)F)c1 ZINC000669516995 540850500 /nfs/dbraw/zinc/85/05/00/540850500.db2.gz OJNFZRFCZJGYKF-UHFFFAOYSA-N 1 3 301.312 2.374 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000604748802 360929717 /nfs/dbraw/zinc/92/97/17/360929717.db2.gz YUTCLZAWASTANW-NVXWUHKLSA-N 1 3 315.461 2.280 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000604748802 360929721 /nfs/dbraw/zinc/92/97/21/360929721.db2.gz YUTCLZAWASTANW-NVXWUHKLSA-N 1 3 315.461 2.280 20 0 DEADHO CCN(CC(C)C[N@H+](CC)C[C@H]1CCOC1)C[C@H]1CCOC1 ZINC000605575253 360980948 /nfs/dbraw/zinc/98/09/48/360980948.db2.gz XLTNVGRUYZDVBZ-QZTJIDSGSA-N 1 3 312.498 2.339 20 0 DEADHO CCN(CC(C)C[N@@H+](CC)C[C@H]1CCOC1)C[C@H]1CCOC1 ZINC000605575253 360980954 /nfs/dbraw/zinc/98/09/54/360980954.db2.gz XLTNVGRUYZDVBZ-QZTJIDSGSA-N 1 3 312.498 2.339 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)NC1CC([NH+](C)C)C1 ZINC000670402426 540930335 /nfs/dbraw/zinc/93/03/35/540930335.db2.gz YVHZZMUWZDBENO-UHFFFAOYSA-N 1 3 315.417 2.317 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000607385268 361086704 /nfs/dbraw/zinc/08/67/04/361086704.db2.gz WNHNCIDYXNGRND-QGZVFWFLSA-N 1 3 303.450 2.351 20 0 DEADHO C[C@@H]([NH3+])CCC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000193298612 201022558 /nfs/dbraw/zinc/02/25/58/201022558.db2.gz GVWRBPHVKZMWGS-CQSZACIVSA-N 1 3 303.450 2.067 20 0 DEADHO C[S@@](=O)c1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000610658200 361438276 /nfs/dbraw/zinc/43/82/76/361438276.db2.gz LONMIUPLGYUXPL-OAQYLSRUSA-N 1 3 306.475 2.388 20 0 DEADHO OC1CCN(Cc2ccccc2C[NH2+]C[C@H]2CCC=CO2)CC1 ZINC000194494824 201239325 /nfs/dbraw/zinc/23/93/25/201239325.db2.gz DNGKNFAYJPCUCV-LJQANCHMSA-N 1 3 316.445 2.426 20 0 DEADHO C[C@@H](NC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC000418179858 296068958 /nfs/dbraw/zinc/06/89/58/296068958.db2.gz JXZULVDBLYLKJS-MUIFIZLQSA-N 1 3 318.465 2.057 20 0 DEADHO CN(CCCNCc1c(F)cccc1Cl)CC[NH+](C)C ZINC000623088276 364881922 /nfs/dbraw/zinc/88/19/22/364881922.db2.gz DDBPCKGNKMJIAH-UHFFFAOYSA-N 1 3 301.837 2.452 20 0 DEADHO C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000449098956 240050545 /nfs/dbraw/zinc/05/05/45/240050545.db2.gz LLUVKCJKUSNMSR-ZQIUZPCESA-N 1 3 301.434 2.079 20 0 DEADHO C[C@H]1CSC[C@H]1NCc1ccncc1OCCC[NH+](C)C ZINC000449330843 240385912 /nfs/dbraw/zinc/38/59/12/240385912.db2.gz VWMBJFZRVDDJJR-DZGCQCFKSA-N 1 3 309.479 2.253 20 0 DEADHO C[C@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000623461724 365038478 /nfs/dbraw/zinc/03/84/78/365038478.db2.gz UEXRKMZSMJZCNS-RDJZCZTQSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@H]1CCC[N@@H+](CCNC(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000623461724 365038483 /nfs/dbraw/zinc/03/84/83/365038483.db2.gz UEXRKMZSMJZCNS-RDJZCZTQSA-N 1 3 322.497 2.034 20 0 DEADHO CN1CCCC[C@H](C[NH2+]C2CCN(Cc3ccncc3)CC2)C1 ZINC000624121259 365296395 /nfs/dbraw/zinc/29/63/95/365296395.db2.gz RTMSNWYMZAAAKB-GOSISDBHSA-N 1 3 316.493 2.368 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CCCC[N@H+](C)C1)N1CCCCC1 ZINC000628744296 366947584 /nfs/dbraw/zinc/94/75/84/366947584.db2.gz FFPXYHYDOWLVMJ-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CCCC[N@@H+](C)C1)N1CCCCC1 ZINC000628744296 366947587 /nfs/dbraw/zinc/94/75/87/366947587.db2.gz FFPXYHYDOWLVMJ-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H]([NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1)C(=O)NC ZINC000449774110 241062530 /nfs/dbraw/zinc/06/25/30/241062530.db2.gz LDXNXDBKNGDEME-PVAVHDDUSA-N 1 3 303.450 2.011 20 0 DEADHO c1c(CN[C@H]2CCCCC23CCCC3)nnn1[C@H]1CC[NH2+]C1 ZINC000629549244 367244996 /nfs/dbraw/zinc/24/49/96/367244996.db2.gz JHMPOVBGJITYSI-HOTGVXAUSA-N 1 3 303.454 2.405 20 0 DEADHO C[C@@H]1C[NH+](C[C@H](O)[C@@H](N)Cc2ccccc2)C[C@@H](C)C1(F)F ZINC000629552504 367246462 /nfs/dbraw/zinc/24/64/62/367246462.db2.gz LDIRLOMOXAHOJV-VDERGJSUSA-N 1 3 312.404 2.140 20 0 DEADHO O[C@H](CNCCn1ccc2cc(Cl)ccc21)C[NH+]1CCCC1 ZINC000629581179 367260902 /nfs/dbraw/zinc/26/09/02/367260902.db2.gz QIETUPQXDULJPV-MRXNPFEDSA-N 1 3 321.852 2.341 20 0 DEADHO CN(C)CCN(C)CCC[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000677221240 541561119 /nfs/dbraw/zinc/56/11/19/541561119.db2.gz QDHJYWFWVGVUEL-UHFFFAOYSA-N 1 3 306.498 2.068 20 0 DEADHO CN(C)CCN(C)CCC[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000677221240 541561124 /nfs/dbraw/zinc/56/11/24/541561124.db2.gz QDHJYWFWVGVUEL-UHFFFAOYSA-N 1 3 306.498 2.068 20 0 DEADHO COc1ccc2c(c1)CC[C@H]2[NH2+]CCCCN1CCN(C)CC1 ZINC000631567201 368290947 /nfs/dbraw/zinc/29/09/47/368290947.db2.gz VIRXBIBTICHTJX-LJQANCHMSA-N 1 3 317.477 2.300 20 0 DEADHO C[C@H](CC(=O)N(C)C)[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000631665816 368332992 /nfs/dbraw/zinc/33/29/92/368332992.db2.gz BHWFFJBTKUGCLN-JFIYKMOQSA-N 1 3 317.477 2.211 20 0 DEADHO C[C@H](CC(=O)N(C)C)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631665816 368332995 /nfs/dbraw/zinc/33/29/95/368332995.db2.gz BHWFFJBTKUGCLN-JFIYKMOQSA-N 1 3 317.477 2.211 20 0 DEADHO C[C@H](CC(=O)N(C)C)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631665816 368333002 /nfs/dbraw/zinc/33/30/02/368333002.db2.gz BHWFFJBTKUGCLN-JFIYKMOQSA-N 1 3 317.477 2.211 20 0 DEADHO CN1CCCN(CCC[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000678074269 541673977 /nfs/dbraw/zinc/67/39/77/541673977.db2.gz GAHJVQALQKZHLI-RBUKOAKNSA-N 1 3 301.478 2.407 20 0 DEADHO CCN1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1C ZINC000678261238 541702871 /nfs/dbraw/zinc/70/28/71/541702871.db2.gz JGXOHPWUHYOXJW-INIZCTEOSA-N 1 3 305.466 2.153 20 0 DEADHO C[NH2+][C@H](C)CNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000261725570 203103370 /nfs/dbraw/zinc/10/33/70/203103370.db2.gz LDOXAIRQEPKISL-HZPDHXFCSA-N 1 3 317.477 2.054 20 0 DEADHO O=C(CC[C@H]1CC[NH2+]C1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000261786822 203117030 /nfs/dbraw/zinc/11/70/30/203117030.db2.gz SRCYBNAVBJSJQT-FUHWJXTLSA-N 1 3 315.461 2.329 20 0 DEADHO NC1(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CCC1 ZINC000262068228 203189376 /nfs/dbraw/zinc/18/93/76/203189376.db2.gz FTXNQGMQFPSMIB-UHFFFAOYSA-N 1 3 301.434 2.170 20 0 DEADHO c1ccc2sc(N3CCN(CC4CC[NH2+]CC4)CC3)nc2c1 ZINC000262186852 203224014 /nfs/dbraw/zinc/22/40/14/203224014.db2.gz JIAAHRCXZWQLRY-UHFFFAOYSA-N 1 3 316.474 2.418 20 0 DEADHO CN(C)[C@@H](CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)c1ccccc1 ZINC000262354184 203271463 /nfs/dbraw/zinc/27/14/63/203271463.db2.gz JLWYFNJYIDYDEE-JENIJYKNSA-N 1 3 315.461 2.185 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)CN1Cc1ccccc1 ZINC000262417597 203289924 /nfs/dbraw/zinc/28/99/24/203289924.db2.gz QAWRCSJAOYIYMD-UOVPBQLFSA-N 1 3 315.461 2.154 20 0 DEADHO CN(C)Cc1cccc(CNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)c1 ZINC000262603999 203347536 /nfs/dbraw/zinc/34/75/36/203347536.db2.gz XZUQSCPSPUPHBY-PKOBYXMFSA-N 1 3 315.461 2.144 20 0 DEADHO C[C@H]([NH2+]C[C@]1(O)CCSC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274979705 212054948 /nfs/dbraw/zinc/05/49/48/212054948.db2.gz ZARUDFHVHIKKTM-CGTJXYLNSA-N 1 3 320.502 2.355 20 0 DEADHO C[C@H]([NH2+]C[C@@]1(O)CCSC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274979707 212054718 /nfs/dbraw/zinc/05/47/18/212054718.db2.gz ZARUDFHVHIKKTM-JQHSSLGASA-N 1 3 320.502 2.355 20 0 DEADHO CCN(C(=O)[C@H](C)N1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000443058696 284228177 /nfs/dbraw/zinc/22/81/77/284228177.db2.gz LBTPPMPUBGHWGS-HOTGVXAUSA-N 1 3 303.450 2.489 20 0 DEADHO COc1ccc(CC[NH2+]C2CCN(c3ccncc3)CC2)cn1 ZINC000529663643 284234236 /nfs/dbraw/zinc/23/42/36/284234236.db2.gz YLVQWUILDMBZMB-UHFFFAOYSA-N 1 3 312.417 2.286 20 0 DEADHO C[NH+](C)CCCCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000264838175 204198280 /nfs/dbraw/zinc/19/82/80/204198280.db2.gz AFRAEKRMWJKZLC-UHFFFAOYSA-N 1 3 303.450 2.354 20 0 DEADHO COc1cccc([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000282482530 217028145 /nfs/dbraw/zinc/02/81/45/217028145.db2.gz WZLZLIBXNJFARX-HNNXBMFYSA-N 1 3 305.466 2.372 20 0 DEADHO CC[N@H+](C)CCNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000338460340 284335630 /nfs/dbraw/zinc/33/56/30/284335630.db2.gz FGZNGKZMCZOPHU-DOTOQJQBSA-N 1 3 318.465 2.073 20 0 DEADHO CC[N@@H+](C)CCNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000338460340 284335634 /nfs/dbraw/zinc/33/56/34/284335634.db2.gz FGZNGKZMCZOPHU-DOTOQJQBSA-N 1 3 318.465 2.073 20 0 DEADHO C[NH+]1CCC(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000266157436 205144379 /nfs/dbraw/zinc/14/43/79/205144379.db2.gz PHVRDZHKTAIIPF-SFHVURJKSA-N 1 3 315.461 2.109 20 0 DEADHO CC[NH+](CC)CCOc1ccc(C(=O)N(C)CCN(C)C)cc1 ZINC000267879114 206316852 /nfs/dbraw/zinc/31/68/52/206316852.db2.gz NSYVYQSFQBVZPX-UHFFFAOYSA-N 1 3 321.465 2.041 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)CN1C1CC1 ZINC000458505946 248348804 /nfs/dbraw/zinc/34/88/04/248348804.db2.gz GCHXIJAMTHMGRV-KGLIPLIRSA-N 1 3 310.486 2.031 20 0 DEADHO CN(C)C/C=C\C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000492344939 249044773 /nfs/dbraw/zinc/04/47/73/249044773.db2.gz WVTOSCOFZCVPHX-TWGQIWQCSA-N 1 3 301.434 2.381 20 0 DEADHO CC(C)N1CC[C@@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000040623383 183110076 /nfs/dbraw/zinc/11/00/76/183110076.db2.gz MAYJMXZQIRTTDD-ZDUSSCGKSA-N 1 3 307.404 2.333 20 0 DEADHO C[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)N(C)C1CC1 ZINC000105263895 194089945 /nfs/dbraw/zinc/08/99/45/194089945.db2.gz IKRRZTMPIGWXDK-WBVHZDCISA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CCc2ccc(OCCN(C)C)cc2)CCN1C ZINC000268850167 207017106 /nfs/dbraw/zinc/01/71/06/207017106.db2.gz FTJXGHXPDHLQAU-FUHWJXTLSA-N 1 3 319.493 2.242 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)cc1 ZINC000682248816 542282059 /nfs/dbraw/zinc/28/20/59/542282059.db2.gz JOIVWHZIMGXVMO-QAQDUYKDSA-N 1 3 306.450 2.362 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)cc1 ZINC000682248816 542282061 /nfs/dbraw/zinc/28/20/61/542282061.db2.gz JOIVWHZIMGXVMO-QAQDUYKDSA-N 1 3 306.450 2.362 20 0 DEADHO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000268962983 207125370 /nfs/dbraw/zinc/12/53/70/207125370.db2.gz YAYYLHBLYHCKSS-MAUKXSAKSA-N 1 3 324.465 2.065 20 0 DEADHO COc1ccc2c(c1)CCC[C@H]2[NH2+]CC1(O)CCN(C)CC1 ZINC000268980455 207139423 /nfs/dbraw/zinc/13/94/23/207139423.db2.gz KKXQRIXAQYOQFW-QGZVFWFLSA-N 1 3 304.434 2.119 20 0 DEADHO COC(=O)c1ccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@H]32)cc1 ZINC000269126742 207260594 /nfs/dbraw/zinc/26/05/94/207260594.db2.gz FKXJPWCNSYUSDJ-DLBZAZTESA-N 1 3 302.418 2.389 20 0 DEADHO COC(=O)c1ccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@H]32)cc1 ZINC000269126742 207260597 /nfs/dbraw/zinc/26/05/97/207260597.db2.gz FKXJPWCNSYUSDJ-DLBZAZTESA-N 1 3 302.418 2.389 20 0 DEADHO C[C@H]1C[C@H](O)CN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000682644500 542333397 /nfs/dbraw/zinc/33/33/97/542333397.db2.gz KQKXMYLRZLYNQW-RDJZCZTQSA-N 1 3 304.434 2.116 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H](CN)c2ccccc2)C1 ZINC000269244233 207379470 /nfs/dbraw/zinc/37/94/70/207379470.db2.gz TWPDPELPGSGECM-SOLBZPMBSA-N 1 3 317.477 2.213 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@H](CN)c2ccccc2)C1 ZINC000269244233 207379479 /nfs/dbraw/zinc/37/94/79/207379479.db2.gz TWPDPELPGSGECM-SOLBZPMBSA-N 1 3 317.477 2.213 20 0 DEADHO C[C@@H]([NH3+])[C@H]1COCC[C@H]1NC[C@@H](C)Oc1ccc(Cl)cc1 ZINC000422795641 533003122 /nfs/dbraw/zinc/00/31/22/533003122.db2.gz IAPHPGUKNMDAAK-CZPYZCIJSA-N 1 3 312.841 2.449 20 0 DEADHO COC[C@H](CCC[NH3+])N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000423016805 533020651 /nfs/dbraw/zinc/02/06/51/533020651.db2.gz NHMFWZIOZMPZSF-VBNZEHGJSA-N 1 3 314.376 2.138 20 0 DEADHO COc1cc2nccc(NCC[NH+]3CCCC3)c2cc1OC ZINC000413072748 533146331 /nfs/dbraw/zinc/14/63/31/533146331.db2.gz NOYQSSYURACQCE-UHFFFAOYSA-N 1 3 301.390 2.182 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C1=C(C)CCC1 ZINC000438055090 285242768 /nfs/dbraw/zinc/24/27/68/285242768.db2.gz YTFICLHABRSHQX-MRXNPFEDSA-N 1 3 307.482 2.361 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C1=C(C)CCC1 ZINC000438055090 285242775 /nfs/dbraw/zinc/24/27/75/285242775.db2.gz YTFICLHABRSHQX-MRXNPFEDSA-N 1 3 307.482 2.361 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001368657260 1148555721 /nfs/dbraw/zinc/55/57/21/1148555721.db2.gz MFVRYEHFVFASBT-AEFFLSMTSA-N 1 3 317.477 2.272 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(OC)c(O)c2)CC1 ZINC000289998972 221370441 /nfs/dbraw/zinc/37/04/41/221370441.db2.gz YUSTYAMHHZFARN-OAHLLOKOSA-N 1 3 321.465 2.079 20 0 DEADHO c1cn(CC[NH+]2CCN(c3ccnc4ccccc43)CC2)cn1 ZINC000297615841 227373744 /nfs/dbraw/zinc/37/37/44/227373744.db2.gz KYCOPRYHIWUZOH-UHFFFAOYSA-N 1 3 307.401 2.254 20 0 DEADHO c1cn(CCN2CCN(c3cc[nH+]c4ccccc43)CC2)cn1 ZINC000297615841 227373748 /nfs/dbraw/zinc/37/37/48/227373748.db2.gz KYCOPRYHIWUZOH-UHFFFAOYSA-N 1 3 307.401 2.254 20 0 DEADHO C[C@@H](C(=O)NCCN1CCCC(C)(C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000444624076 533258343 /nfs/dbraw/zinc/25/83/43/533258343.db2.gz VROCBFYDVSFXJP-XHSDSOJGSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H](C(=O)NCCN1CCCC(C)(C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000444624076 533258347 /nfs/dbraw/zinc/25/83/47/533258347.db2.gz VROCBFYDVSFXJP-XHSDSOJGSA-N 1 3 309.498 2.486 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCC1=CCCCCC1 ZINC000545238966 285406689 /nfs/dbraw/zinc/40/66/89/285406689.db2.gz BBAFHOGLPPELNB-UHFFFAOYSA-N 1 3 324.513 2.402 20 0 DEADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1cnccc1N ZINC000422992722 533367982 /nfs/dbraw/zinc/36/79/82/533367982.db2.gz QFVRZWZVSNOVGS-CQSZACIVSA-N 1 3 311.433 2.456 20 0 DEADHO C[C@@H](NC(C)(C)CNC(=O)NCCCC[NH3+])c1ccccc1 ZINC000417708429 533323727 /nfs/dbraw/zinc/32/37/27/533323727.db2.gz RYMOQSZGRKWAMK-CQSZACIVSA-N 1 3 306.454 2.154 20 0 DEADHO C[C@@H](NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423015776 533417957 /nfs/dbraw/zinc/41/79/57/533417957.db2.gz RSFTVUDYLVKWBO-BPQIPLTHSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H](NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423015780 533418003 /nfs/dbraw/zinc/41/80/03/533418003.db2.gz RSFTVUDYLVKWBO-NJAFHUGGSA-N 1 3 315.461 2.155 20 0 DEADHO COc1cccc(N2CC[C@H]([NH2+][C@@H]3CCCC[C@H]3CN)C2)c1 ZINC000422719572 533588913 /nfs/dbraw/zinc/58/89/13/533588913.db2.gz YVUVJNVVSLIQAQ-RLFYNMQTSA-N 1 3 303.450 2.381 20 0 DEADHO COc1cccc(N2CC[C@H](N[C@@H]3CCCC[C@H]3C[NH3+])C2)c1 ZINC000422719572 533588919 /nfs/dbraw/zinc/58/89/19/533588919.db2.gz YVUVJNVVSLIQAQ-RLFYNMQTSA-N 1 3 303.450 2.381 20 0 DEADHO C[C@H](NC(=O)NC1CCC([NH3+])CC1)[C@@H](c1ccccc1)N(C)C ZINC000418191348 533622991 /nfs/dbraw/zinc/62/29/91/533622991.db2.gz XIFHRDLWCSGYBY-LYAPFXNSSA-N 1 3 318.465 2.247 20 0 DEADHO C[C@H](CN(C)C)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000353941768 133012517 /nfs/dbraw/zinc/01/25/17/133012517.db2.gz CSKOLCLMDKBNQK-CQSZACIVSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H](NC(=O)NCCC[NH+]1CCC(C)CC1)C1=CCN(C)CC1 ZINC000357862021 133105970 /nfs/dbraw/zinc/10/59/70/133105970.db2.gz XQRVXBFNHWZAKO-MRXNPFEDSA-N 1 3 322.497 2.058 20 0 DEADHO O=C(NCCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(F)c1 ZINC000358079981 133119802 /nfs/dbraw/zinc/11/98/02/133119802.db2.gz FCWDWQCCAIZYLD-IRXDYDNUSA-N 1 3 319.424 2.162 20 0 DEADHO O=C(NCCCN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(F)c1 ZINC000358079981 133119803 /nfs/dbraw/zinc/11/98/03/133119803.db2.gz FCWDWQCCAIZYLD-IRXDYDNUSA-N 1 3 319.424 2.162 20 0 DEADHO C[C@@H]1C[N@H+](C)C[C@@H]1c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000359925832 133153353 /nfs/dbraw/zinc/15/33/53/133153353.db2.gz SRSATVCEKHBDDY-DOMZBBRYSA-N 1 3 300.406 2.463 20 0 DEADHO C[C@@H]1C[N@@H+](C)C[C@@H]1c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000359925832 133153354 /nfs/dbraw/zinc/15/33/54/133153354.db2.gz SRSATVCEKHBDDY-DOMZBBRYSA-N 1 3 300.406 2.463 20 0 DEADHO CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000360049695 133159523 /nfs/dbraw/zinc/15/95/23/133159523.db2.gz GFERGESADBNZEP-WBVHZDCISA-N 1 3 324.513 2.233 20 0 DEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccccc2F)C1 ZINC000562989136 292022284 /nfs/dbraw/zinc/02/22/84/292022284.db2.gz GAIYRCRRMDOHAG-KFWWJZLASA-N 1 3 310.413 2.028 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CN1C1CC1 ZINC000563380954 292051662 /nfs/dbraw/zinc/05/16/62/292051662.db2.gz IJTWPBKJSHIZST-PBHICJAKSA-N 1 3 315.461 2.146 20 0 DEADHO C[NH+](C)CCc1ccc(C(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000563375427 292051062 /nfs/dbraw/zinc/05/10/62/292051062.db2.gz GQHXKSBCLJLKGY-SFHVURJKSA-N 1 3 315.461 2.101 20 0 DEADHO COc1c(O)cccc1CNCC1(SC)CC[NH+](C)CC1 ZINC000356368909 404480009 /nfs/dbraw/zinc/48/00/09/404480009.db2.gz PSPRLFFYHOSYMQ-UHFFFAOYSA-N 1 3 310.463 2.318 20 0 DEADHO Cc1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])c(-n2cc(Cl)cn2)n1 ZINC000423075516 292106480 /nfs/dbraw/zinc/10/64/80/292106480.db2.gz XFOHBEVDNUVQJO-SWLSCSKDSA-N 1 3 319.840 2.446 20 0 DEADHO C[C@H](N[C@H]1CCC[NH2+]CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000564823684 292113134 /nfs/dbraw/zinc/11/31/34/292113134.db2.gz UIAWJXYANCPCTI-YTQUADARSA-N 1 3 317.477 2.008 20 0 DEADHO Cc1ccc(NC(=O)CCNC[C@H](C)C[NH+]2CCCCC2)nc1 ZINC000564844303 292114921 /nfs/dbraw/zinc/11/49/21/292114921.db2.gz JYIHJGXZHODYBG-INIZCTEOSA-N 1 3 318.465 2.430 20 0 DEADHO Cc1ccc(NC(=O)CC[NH2+]C[C@H](C)CN2CCCCC2)nc1 ZINC000564844303 292114922 /nfs/dbraw/zinc/11/49/22/292114922.db2.gz JYIHJGXZHODYBG-INIZCTEOSA-N 1 3 318.465 2.430 20 0 DEADHO CC[N@H+](Cc1ccc(C(=O)N2C[C@H](C)NC[C@H]2C)cc1)C1CC1 ZINC000356374144 404483259 /nfs/dbraw/zinc/48/32/59/404483259.db2.gz RPDJJAXKPOGZHI-LSDHHAIUSA-N 1 3 315.461 2.493 20 0 DEADHO CC[N@@H+](Cc1ccc(C(=O)N2C[C@H](C)NC[C@H]2C)cc1)C1CC1 ZINC000356374144 404483262 /nfs/dbraw/zinc/48/32/62/404483262.db2.gz RPDJJAXKPOGZHI-LSDHHAIUSA-N 1 3 315.461 2.493 20 0 DEADHO C[C@@H](CC(=O)NCCN(C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000246229836 145096050 /nfs/dbraw/zinc/09/60/50/145096050.db2.gz HOBQZDXECNJDRF-WMZOPIPTSA-N 1 3 317.477 2.260 20 0 DEADHO C[C@@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)N(C)C1CC1 ZINC000246376270 145100692 /nfs/dbraw/zinc/10/06/92/145100692.db2.gz HCELSGUSAYJJBC-CVEARBPZSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H](CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)N(C)C1CC1 ZINC000246376270 145100694 /nfs/dbraw/zinc/10/06/94/145100694.db2.gz HCELSGUSAYJJBC-CVEARBPZSA-N 1 3 324.513 2.423 20 0 DEADHO CCN1CC[C@@H]([NH2+]Cc2ccccc2N2CCOCC2)[C@@H](C)C1 ZINC000246830878 145116480 /nfs/dbraw/zinc/11/64/80/145116480.db2.gz CVYOURCRENKHCW-FUHWJXTLSA-N 1 3 317.477 2.343 20 0 DEADHO CN(C)CCN(Cc1ccccc1)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261542619 145205946 /nfs/dbraw/zinc/20/59/46/145205946.db2.gz GZLABEARKIQLPJ-KRWDZBQOSA-N 1 3 303.450 2.109 20 0 DEADHO C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)[C@@H](N)c1ccccc1 ZINC000261650649 145213937 /nfs/dbraw/zinc/21/39/37/145213937.db2.gz FEFLVTVOEQUHIF-DZOHQFGASA-N 1 3 315.461 2.265 20 0 DEADHO C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)[C@@H](N)c1ccccc1 ZINC000261650649 145213938 /nfs/dbraw/zinc/21/39/38/145213938.db2.gz FEFLVTVOEQUHIF-DZOHQFGASA-N 1 3 315.461 2.265 20 0 DEADHO Cn1cc(-c2ccc(CN3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)s2)cn1 ZINC000261784007 145225545 /nfs/dbraw/zinc/22/55/45/145225545.db2.gz FRGBUJYBVIQIKQ-GLQYFDAESA-N 1 3 302.447 2.318 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261831987 145231975 /nfs/dbraw/zinc/23/19/75/145231975.db2.gz BRMPEOZHNNPWKO-HLLBOEOZSA-N 1 3 307.482 2.240 20 0 DEADHO Cc1ccc(C)c(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000262142911 145266299 /nfs/dbraw/zinc/26/62/99/145266299.db2.gz ZIIDHVQSEURMPD-QGZVFWFLSA-N 1 3 303.450 2.123 20 0 DEADHO C[C@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])N1CCC[C@@H](C)C1 ZINC000262266512 145272210 /nfs/dbraw/zinc/27/22/10/145272210.db2.gz JXCDLBDXNCHMLL-XKTBZMPXSA-N 1 3 321.509 2.377 20 0 DEADHO CCC[C@@](C)(N)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000262329362 145277504 /nfs/dbraw/zinc/27/75/04/145277504.db2.gz UVDWVNBWRPTVLM-GOSISDBHSA-N 1 3 303.450 2.416 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H]([C@H](C)O)C2)CC1 ZINC000305833113 145347206 /nfs/dbraw/zinc/34/72/06/145347206.db2.gz FCHQINWSXLVCJQ-DLBZAZTESA-N 1 3 317.477 2.031 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@H]([C@H](C)O)C2)CC1 ZINC000305833113 145347207 /nfs/dbraw/zinc/34/72/07/145347207.db2.gz FCHQINWSXLVCJQ-DLBZAZTESA-N 1 3 317.477 2.031 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000309855311 145350759 /nfs/dbraw/zinc/35/07/59/145350759.db2.gz BURLFSNCTXZAGB-OKZBNKHCSA-N 1 3 315.461 2.142 20 0 DEADHO CCN1CCN(c2ccc(NC(=O)[C@@H](C)[C@@H](C)[NH3+])c(C)c2)CC1 ZINC000322836192 145379770 /nfs/dbraw/zinc/37/97/70/145379770.db2.gz KDCICEMEHQOWSH-LSDHHAIUSA-N 1 3 318.465 2.059 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](NCCn2nc(C)cc2C)[C@@H](C)C1 ZINC000346546948 146100276 /nfs/dbraw/zinc/10/02/76/146100276.db2.gz RFGFEFNXNNGFJM-YJBOKZPZSA-N 1 3 322.497 2.227 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](NCCn2nc(C)cc2C)[C@@H](C)C1 ZINC000346546948 146100278 /nfs/dbraw/zinc/10/02/78/146100278.db2.gz RFGFEFNXNNGFJM-YJBOKZPZSA-N 1 3 322.497 2.227 20 0 DEADHO C[C@@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)[C@H]1CCCO1 ZINC000346559631 146101541 /nfs/dbraw/zinc/10/15/41/146101541.db2.gz MHLJQDNSBDYROQ-DNVCBOLYSA-N 1 3 318.461 2.300 20 0 DEADHO CC(C)[NH2+]CC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000565250626 292150796 /nfs/dbraw/zinc/15/07/96/292150796.db2.gz SRODAFDBMYKSGY-CJNGLKHVSA-N 1 3 309.479 2.245 20 0 DEADHO COCCOc1ccccc1CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346836765 146150896 /nfs/dbraw/zinc/15/08/96/146150896.db2.gz VOHXMPFYVLPMPP-XIRDDKMYSA-N 1 3 304.434 2.271 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000348822277 146314000 /nfs/dbraw/zinc/31/40/00/146314000.db2.gz YWECIRHBBPFURW-QGZVFWFLSA-N 1 3 324.513 2.282 20 0 DEADHO CCCCOc1ccccc1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000348963885 146333938 /nfs/dbraw/zinc/33/39/38/146333938.db2.gz JYYCQDFRSAKLQQ-SFHVURJKSA-N 1 3 317.477 2.345 20 0 DEADHO CC[N@H+](CCC1CCN(CCN2CCCC2=O)CC1)CC1CC1 ZINC000357070718 147035395 /nfs/dbraw/zinc/03/53/95/147035395.db2.gz AMHIQAZFGQYJSP-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CC[N@@H+](CCC1CCN(CCN2CCCC2=O)CC1)CC1CC1 ZINC000357070718 147035398 /nfs/dbraw/zinc/03/53/98/147035398.db2.gz AMHIQAZFGQYJSP-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CCN1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000358940378 147234339 /nfs/dbraw/zinc/23/43/39/147234339.db2.gz VRIDGOYTQZNXSB-HOTGVXAUSA-N 1 3 307.482 2.242 20 0 DEADHO CCN1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000358940378 147234342 /nfs/dbraw/zinc/23/43/42/147234342.db2.gz VRIDGOYTQZNXSB-HOTGVXAUSA-N 1 3 307.482 2.242 20 0 DEADHO O=C(CC1CCCC1)N1CCCN(CCC2CC[NH2+]CC2)CC1 ZINC000359221681 147285255 /nfs/dbraw/zinc/28/52/55/147285255.db2.gz XKSPWOLURPQPSP-UHFFFAOYSA-N 1 3 321.509 2.491 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]CC(C)(C)CN(C)C)[C@@H](C)C1 ZINC000359364976 147315545 /nfs/dbraw/zinc/31/55/45/147315545.db2.gz PIWKGMVKCKLIEC-DLBZAZTESA-N 1 3 313.530 2.301 20 0 DEADHO CN1CC=C(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000371471083 148107158 /nfs/dbraw/zinc/10/71/58/148107158.db2.gz QSOSLMFKYBKRLH-INIZCTEOSA-N 1 3 305.466 2.019 20 0 DEADHO CN1CC=C(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000371471083 148107159 /nfs/dbraw/zinc/10/71/59/148107159.db2.gz QSOSLMFKYBKRLH-INIZCTEOSA-N 1 3 305.466 2.019 20 0 DEADHO OC[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)Cc1ccco1 ZINC000565996128 292196233 /nfs/dbraw/zinc/19/62/33/292196233.db2.gz IXMOSUKZGHRWQG-OAHLLOKOSA-N 1 3 315.417 2.084 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CCCCC[NH2+]2)N(C)C)cc1 ZINC000372485136 292200694 /nfs/dbraw/zinc/20/06/94/292200694.db2.gz POIJZGGQNQRVHD-DLBZAZTESA-N 1 3 303.450 2.246 20 0 DEADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccccc1CN1CCCC1=O ZINC000566089130 292203780 /nfs/dbraw/zinc/20/37/80/292203780.db2.gz SXCIAHVZOOIPGB-RHSMWYFYSA-N 1 3 301.434 2.026 20 0 DEADHO CC(C)Oc1ccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@H](C)N)cc1 ZINC000566089614 292203879 /nfs/dbraw/zinc/20/38/79/292203879.db2.gz YDRFCKDAAXJHEV-JCGIZDLHSA-N 1 3 306.450 2.358 20 0 DEADHO CC(C)Oc1ccc(CCN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1 ZINC000566089614 292203880 /nfs/dbraw/zinc/20/38/80/292203880.db2.gz YDRFCKDAAXJHEV-JCGIZDLHSA-N 1 3 306.450 2.358 20 0 DEADHO Fc1cccnc1N1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000566089213 292203888 /nfs/dbraw/zinc/20/38/88/292203888.db2.gz GZHAZQHFZZHORW-NXNVCVFFSA-N 1 3 318.440 2.310 20 0 DEADHO Fc1ccc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c(F)c1 ZINC000566089718 292204045 /nfs/dbraw/zinc/20/40/45/292204045.db2.gz PXDLPQDEGMDAGG-USXIJHARSA-N 1 3 310.388 2.254 20 0 DEADHO COCCN(C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000127147501 401722381 /nfs/dbraw/zinc/72/23/81/401722381.db2.gz MILCXMDNRHKQAE-UHFFFAOYSA-N 1 3 305.466 2.295 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000111834862 401725293 /nfs/dbraw/zinc/72/52/93/401725293.db2.gz YSVKBFOBDSJQQE-SJORKVTESA-N 1 3 324.513 2.282 20 0 DEADHO C[C@H](CNC1CC[NH+](C2CCCCC2)CC1)N1CCN(C)CC1 ZINC000127324992 401729386 /nfs/dbraw/zinc/72/93/86/401729386.db2.gz NSMMEEQXNUNGOS-QGZVFWFLSA-N 1 3 322.541 2.009 20 0 DEADHO CCCC[C@H](COC)[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000128060705 401761172 /nfs/dbraw/zinc/76/11/72/401761172.db2.gz XMXNRFZZLVHAHI-QGZVFWFLSA-N 1 3 311.514 2.340 20 0 DEADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(CN2CCCC2=O)cc1 ZINC000128517062 401780961 /nfs/dbraw/zinc/78/09/61/401780961.db2.gz OMLVOSUGUHGEMU-YJBOKZPZSA-N 1 3 315.461 2.239 20 0 DEADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(CN2CCCC2=O)cc1 ZINC000128517062 401780962 /nfs/dbraw/zinc/78/09/62/401780962.db2.gz OMLVOSUGUHGEMU-YJBOKZPZSA-N 1 3 315.461 2.239 20 0 DEADHO O=C(C[C@H]1CC[NH2+]C1)NCC1CCN(Cc2cccs2)CC1 ZINC000130558635 401835357 /nfs/dbraw/zinc/83/53/57/401835357.db2.gz KCEURPICCNSUJT-OAHLLOKOSA-N 1 3 321.490 2.076 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)C[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000130693889 401837071 /nfs/dbraw/zinc/83/70/71/401837071.db2.gz PZZVDHNDIZFTAE-GJZGRUSLSA-N 1 3 303.450 2.232 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)CC1 ZINC000081257907 401894845 /nfs/dbraw/zinc/89/48/45/401894845.db2.gz HOCARRLTOQLRIE-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CC1(C)CC(NC(=O)NC2CCN(C3CC3)CC2)CC(C)(C)[NH2+]1 ZINC000042908161 401936166 /nfs/dbraw/zinc/93/61/66/401936166.db2.gz KERXBXIMYRWUEO-UHFFFAOYSA-N 1 3 322.497 2.222 20 0 DEADHO CC[C@@]1(C(=O)NCCCN2CCc3ccccc3C2)CCC[NH2+]1 ZINC000134570059 401906726 /nfs/dbraw/zinc/90/67/26/401906726.db2.gz MSDDOJNUTRMTHJ-IBGZPJMESA-N 1 3 315.461 2.083 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)C(C3CC3)C3CC3)CC2)CC1 ZINC000120654955 401997424 /nfs/dbraw/zinc/99/74/24/401997424.db2.gz IHMDJNMZKUEMLA-UHFFFAOYSA-N 1 3 319.493 2.097 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000119505709 401954620 /nfs/dbraw/zinc/95/46/20/401954620.db2.gz WKDJXIXQOASGRY-KRWDZBQOSA-N 1 3 317.477 2.456 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000119505709 401954622 /nfs/dbraw/zinc/95/46/22/401954622.db2.gz WKDJXIXQOASGRY-KRWDZBQOSA-N 1 3 317.477 2.456 20 0 DEADHO CC[N@H+](CCNC(=O)N1CCN(C2CCCCC2)CC1)C1CC1 ZINC000138442161 401986838 /nfs/dbraw/zinc/98/68/38/401986838.db2.gz UFVPHSDPWFYTBO-UHFFFAOYSA-N 1 3 322.497 2.131 20 0 DEADHO CC[N@@H+](CCNC(=O)N1CCN(C2CCCCC2)CC1)C1CC1 ZINC000138442161 401986841 /nfs/dbraw/zinc/98/68/41/401986841.db2.gz UFVPHSDPWFYTBO-UHFFFAOYSA-N 1 3 322.497 2.131 20 0 DEADHO CC(C)C[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000120782420 402002516 /nfs/dbraw/zinc/00/25/16/402002516.db2.gz XGFQAVWXQRXVIL-UHFFFAOYSA-N 1 3 303.450 2.258 20 0 DEADHO Cc1nc2c(s1)[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)CCC2 ZINC000150987448 402008852 /nfs/dbraw/zinc/00/88/52/402008852.db2.gz TWVXTSFCKUXZIJ-INIZCTEOSA-N 1 3 322.522 2.445 20 0 DEADHO CC(C)N(C)CC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061636321 402108090 /nfs/dbraw/zinc/10/80/90/402108090.db2.gz NBVHMHFKSOADLV-UHFFFAOYSA-N 1 3 323.506 2.417 20 0 DEADHO CC(C)N(C)CC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000153092212 402126662 /nfs/dbraw/zinc/12/66/62/402126662.db2.gz VBHCIKUEYNTMEB-UHFFFAOYSA-N 1 3 305.466 2.353 20 0 DEADHO CC(C)N(C)CC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000153092212 402126664 /nfs/dbraw/zinc/12/66/64/402126664.db2.gz VBHCIKUEYNTMEB-UHFFFAOYSA-N 1 3 305.466 2.353 20 0 DEADHO CN1CCC[C@@H]1CC[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000124786166 402196590 /nfs/dbraw/zinc/19/65/90/402196590.db2.gz BFOWQRSMNPVGBM-GOSISDBHSA-N 1 3 315.461 2.365 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H]2CCc3ccc(OC)cc32)CC1 ZINC000154252031 402201797 /nfs/dbraw/zinc/20/17/97/402201797.db2.gz CPFJIZDWXKNYRF-IBGZPJMESA-N 1 3 317.477 2.300 20 0 DEADHO CC[C@@H](C)[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000101998142 402160750 /nfs/dbraw/zinc/16/07/50/402160750.db2.gz YRCJTMZZEWQYDQ-CABCVRRESA-N 1 3 324.513 2.279 20 0 DEADHO CN1CCN(CCCC[NH2+]CC2=Cc3ccccc3OC2)CC1 ZINC000102422196 402166951 /nfs/dbraw/zinc/16/69/51/402166951.db2.gz LHXJDAPVDKXODB-UHFFFAOYSA-N 1 3 315.461 2.080 20 0 DEADHO CCN1CCN(CCCC[NH2+][C@H](C)c2cncc(F)c2)CC1 ZINC000154522580 402216317 /nfs/dbraw/zinc/21/63/17/402216317.db2.gz XDUNINILKFIJSO-OAHLLOKOSA-N 1 3 308.445 2.289 20 0 DEADHO CN1CCC[C@@H]1C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000154545776 402217683 /nfs/dbraw/zinc/21/76/83/402217683.db2.gz SPZLLCBGXFPTDE-LJQANCHMSA-N 1 3 301.478 2.377 20 0 DEADHO CN1CCC[C@@H](CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000108552588 402257509 /nfs/dbraw/zinc/25/75/09/402257509.db2.gz JHVDHTLXZDJPEX-RDJZCZTQSA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)C(=O)NC[C@H]1CCC[N@H+](CCCN2CCCCC2)C1 ZINC000125091496 402212398 /nfs/dbraw/zinc/21/23/98/402212398.db2.gz OFDBVYQWIYTEII-QGZVFWFLSA-N 1 3 309.498 2.347 20 0 DEADHO CC(C)C(=O)NC[C@H]1CCC[N@@H+](CCCN2CCCCC2)C1 ZINC000125091496 402212400 /nfs/dbraw/zinc/21/24/00/402212400.db2.gz OFDBVYQWIYTEII-QGZVFWFLSA-N 1 3 309.498 2.347 20 0 DEADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CCN(C)C)C1 ZINC000176350465 402302127 /nfs/dbraw/zinc/30/21/27/402302127.db2.gz GSBGZGWREJKXBP-HNNXBMFYSA-N 1 3 312.502 2.090 20 0 DEADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CCN(C)C)C1 ZINC000176350465 402302129 /nfs/dbraw/zinc/30/21/29/402302129.db2.gz GSBGZGWREJKXBP-HNNXBMFYSA-N 1 3 312.502 2.090 20 0 DEADHO CCCC[N@H+](CCO)Cc1ccccc1N1CCN(CC)CC1 ZINC000159101449 402317447 /nfs/dbraw/zinc/31/74/47/402317447.db2.gz SVCYHIYZILQUKN-UHFFFAOYSA-N 1 3 319.493 2.423 20 0 DEADHO CCCC[N@@H+](CCO)Cc1ccccc1N1CCN(CC)CC1 ZINC000159101449 402317449 /nfs/dbraw/zinc/31/74/49/402317449.db2.gz SVCYHIYZILQUKN-UHFFFAOYSA-N 1 3 319.493 2.423 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)N1CCCCC1 ZINC000236660438 402372046 /nfs/dbraw/zinc/37/20/46/402372046.db2.gz WDWVNNFXNRBGEU-SFHVURJKSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000236725507 402378217 /nfs/dbraw/zinc/37/82/17/402378217.db2.gz WMUUZFRGIDXISQ-WMZOPIPTSA-N 1 3 303.450 2.316 20 0 DEADHO CC1CCC(N2CCN(C(=O)[C@@]3(C)CCC[NH2+]C3)CC2)CC1 ZINC000236788650 402382514 /nfs/dbraw/zinc/38/25/14/402382514.db2.gz WSTWAVOIYNSNDJ-HTWSVDAQSA-N 1 3 307.482 2.099 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)CC1 ZINC000185197857 402333588 /nfs/dbraw/zinc/33/35/88/402333588.db2.gz BFHNTEFFLUNKSG-DLBZAZTESA-N 1 3 311.514 2.196 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@]2(C)CCC[NH2+]C2)N(C)C)cc1 ZINC000237202558 402399305 /nfs/dbraw/zinc/39/93/05/402399305.db2.gz KMXDOKQGXXYRHH-SJLPKXTDSA-N 1 3 303.450 2.104 20 0 DEADHO C[NH2+]C[C@H](C)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000237323951 402403740 /nfs/dbraw/zinc/40/37/40/402403740.db2.gz RTQPBFUAMBDCIY-FUHWJXTLSA-N 1 3 317.477 2.431 20 0 DEADHO C[C@@H]1C[NH+](CCC2CCN(Cc3cnn(C)c3)CC2)C[C@@H](C)O1 ZINC000177485176 402407471 /nfs/dbraw/zinc/40/74/71/402407471.db2.gz FKSMEKUXWUJRLK-HZPDHXFCSA-N 1 3 320.481 2.131 20 0 DEADHO C[C@@]1(C(=O)NCc2ccccc2CN2CCCCC2)CC[NH2+]C1 ZINC000237591181 402414736 /nfs/dbraw/zinc/41/47/36/402414736.db2.gz MXPPKTHWBWBSOS-LJQANCHMSA-N 1 3 315.461 2.288 20 0 DEADHO C[C@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)[C@H]1C[NH3+] ZINC000237654315 402417011 /nfs/dbraw/zinc/41/70/11/402417011.db2.gz GBLAVULBEWRSSI-YJBOKZPZSA-N 1 3 315.461 2.482 20 0 DEADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C3(N)CC3)cc2)C1 ZINC000164598172 402465649 /nfs/dbraw/zinc/46/56/49/402465649.db2.gz CILIBXXEHMVLJS-CQSZACIVSA-N 1 3 301.434 2.026 20 0 DEADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C3(N)CC3)cc2)C1 ZINC000164598172 402465652 /nfs/dbraw/zinc/46/56/52/402465652.db2.gz CILIBXXEHMVLJS-CQSZACIVSA-N 1 3 301.434 2.026 20 0 DEADHO CC[C@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000164604631 402465726 /nfs/dbraw/zinc/46/57/26/402465726.db2.gz SDKAZCPNBDKHKJ-PBHICJAKSA-N 1 3 303.450 2.272 20 0 DEADHO CC[C@H](N)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000164604631 402465728 /nfs/dbraw/zinc/46/57/28/402465728.db2.gz SDKAZCPNBDKHKJ-PBHICJAKSA-N 1 3 303.450 2.272 20 0 DEADHO CC(C)[NH2+]CCC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000165040007 402472087 /nfs/dbraw/zinc/47/20/87/402472087.db2.gz SHAVOGZNQJLAER-QGZVFWFLSA-N 1 3 303.450 2.328 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000165097775 402473322 /nfs/dbraw/zinc/47/33/22/402473322.db2.gz XFAQHOYWCFMENI-SFHVURJKSA-N 1 3 317.477 2.185 20 0 DEADHO C[C@@H]([NH2+]Cc1cccc(CN(C)C)c1)C1CCS(=O)(=O)CC1 ZINC000186966845 402474299 /nfs/dbraw/zinc/47/42/99/402474299.db2.gz LXTWUWYASDMWBP-CQSZACIVSA-N 1 3 324.490 2.051 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000166212635 402482245 /nfs/dbraw/zinc/48/22/45/402482245.db2.gz JDNOSXHWAPPOKH-CJNGLKHVSA-N 1 3 323.506 2.450 20 0 DEADHO O=C(NCC1CCN(Cc2cccs2)CC1)[C@H]1CCC[NH2+]C1 ZINC000166208719 402482439 /nfs/dbraw/zinc/48/24/39/402482439.db2.gz DXOIAAOFVXYJDV-HNNXBMFYSA-N 1 3 321.490 2.076 20 0 DEADHO COc1cc(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)cc(OC)c1O ZINC000424375472 286218363 /nfs/dbraw/zinc/21/83/63/286218363.db2.gz JWBBRUPMUSSNCL-ZDUSSCGKSA-N 1 3 320.433 2.373 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000167617290 402492487 /nfs/dbraw/zinc/49/24/87/402492487.db2.gz SRKSBIKUJGWQCY-GOEBONIOSA-N 1 3 303.450 2.232 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCN(c2ncccc2F)C1 ZINC000168163900 402494832 /nfs/dbraw/zinc/49/48/32/402494832.db2.gz DJIMMDOEBZNKQI-KQTLUZQSSA-N 1 3 306.429 2.118 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCN(c2ncccc2F)C1 ZINC000168163900 402494834 /nfs/dbraw/zinc/49/48/34/402494834.db2.gz DJIMMDOEBZNKQI-KQTLUZQSSA-N 1 3 306.429 2.118 20 0 DEADHO Cc1cc(NC(=O)[C@H](N)C(C)C)ccc1OCC[NH+]1CCCC1 ZINC000169090156 402499910 /nfs/dbraw/zinc/49/99/10/402499910.db2.gz MPVVXSVBDRWDJH-QGZVFWFLSA-N 1 3 319.449 2.391 20 0 DEADHO N[C@H](CC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000178817527 402543426 /nfs/dbraw/zinc/54/34/26/402543426.db2.gz OQDHVTXEPSLTFS-QGZVFWFLSA-N 1 3 301.434 2.067 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(Cl)nc2)CC1 ZINC000179104460 402573212 /nfs/dbraw/zinc/57/32/12/402573212.db2.gz PGVYRZOTQRYZSX-AWEZNQCLSA-N 1 3 310.873 2.413 20 0 DEADHO CC(C)[NH+](CCNC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C)C(C)C ZINC000246191352 402517551 /nfs/dbraw/zinc/51/75/51/402517551.db2.gz IKADLZVRNHCCEY-JKSUJKDBSA-N 1 3 312.502 2.087 20 0 DEADHO COC[C@H]([NH2+]C[C@H]1CCCN(CC(C)C)C1)C1CCOCC1 ZINC000188253121 402518190 /nfs/dbraw/zinc/51/81/90/402518190.db2.gz SRGZBTBJSFBNOK-AEFFLSMTSA-N 1 3 312.498 2.386 20 0 DEADHO COC[C@H](NC[C@H]1CCC[N@H+](CC(C)C)C1)C1CCOCC1 ZINC000188253121 402518191 /nfs/dbraw/zinc/51/81/91/402518191.db2.gz SRGZBTBJSFBNOK-AEFFLSMTSA-N 1 3 312.498 2.386 20 0 DEADHO COC[C@H](NC[C@H]1CCC[N@@H+](CC(C)C)C1)C1CCOCC1 ZINC000188253121 402518192 /nfs/dbraw/zinc/51/81/92/402518192.db2.gz SRGZBTBJSFBNOK-AEFFLSMTSA-N 1 3 312.498 2.386 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000246357756 402526678 /nfs/dbraw/zinc/52/66/78/402526678.db2.gz PQMVEZSUSYYVSW-IAGOWNOFSA-N 1 3 324.513 2.092 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000246357756 402526680 /nfs/dbraw/zinc/52/66/80/402526680.db2.gz PQMVEZSUSYYVSW-IAGOWNOFSA-N 1 3 324.513 2.092 20 0 DEADHO CCN1CC[C@@H]([NH2+]CC2(N3CCCCC3)CCOCC2)[C@@H](C)C1 ZINC000246403455 402529051 /nfs/dbraw/zinc/52/90/51/402529051.db2.gz LXLMVRIGIBTRBY-ZWKOTPCHSA-N 1 3 323.525 2.341 20 0 DEADHO CCO[C@@H]1C[C@@H]([NH2+]CCCN2CCN(CC)CC2)C12CCCC2 ZINC000181492221 402647452 /nfs/dbraw/zinc/64/74/52/402647452.db2.gz XKYMNZPIPYGFJH-QZTJIDSGSA-N 1 3 323.525 2.341 20 0 DEADHO CCO[C@H]1C[C@@H]([NH2+]CCCN2CCN(CC)CC2)C12CCCC2 ZINC000181492187 402647464 /nfs/dbraw/zinc/64/74/64/402647464.db2.gz XKYMNZPIPYGFJH-MSOLQXFVSA-N 1 3 323.525 2.341 20 0 DEADHO CCO[C@@H]1C[C@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1(C)C ZINC000181775124 402656825 /nfs/dbraw/zinc/65/68/25/402656825.db2.gz XHRSTDKZPYSHJY-BHYGNILZSA-N 1 3 310.482 2.281 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@@H](C)[C@@H](C)[NH3+])N2CCCC2)cc1 ZINC000192103951 402711102 /nfs/dbraw/zinc/71/11/02/402711102.db2.gz YZCUMNTVKSWCJU-ZMSDIMECSA-N 1 3 303.450 2.231 20 0 DEADHO CC[NH+](CC)CCCC1CCN([C@H]2CCCCNC2=O)CC1 ZINC000182745771 402713458 /nfs/dbraw/zinc/71/34/58/402713458.db2.gz CWRBWQDTVBYWBK-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@]1(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CCCC[NH2+]1 ZINC000192547696 402736403 /nfs/dbraw/zinc/73/64/03/402736403.db2.gz XXNGYQAXESFVKO-HKUYNNGSSA-N 1 3 311.429 2.488 20 0 DEADHO CC(C)CO[C@@H]1CC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192758041 402748764 /nfs/dbraw/zinc/74/87/64/402748764.db2.gz UACHSDAIZPKMCN-GOSISDBHSA-N 1 3 311.514 2.149 20 0 DEADHO CC(C)CO[C@@H]1CC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192758041 402748766 /nfs/dbraw/zinc/74/87/66/402748766.db2.gz UACHSDAIZPKMCN-GOSISDBHSA-N 1 3 311.514 2.149 20 0 DEADHO C[C@@H](C[S@](C)=O)N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000184297223 402833577 /nfs/dbraw/zinc/83/35/77/402833577.db2.gz CBNGMTVXRDJDRJ-RXSFTSLZSA-N 1 3 312.479 2.045 20 0 DEADHO CCC[N@H+](CC)CCNC(=O)c1ccccc1OCCN(C)C ZINC000266939535 403001444 /nfs/dbraw/zinc/00/14/44/403001444.db2.gz WAXDYEINYXGBJJ-UHFFFAOYSA-N 1 3 321.465 2.089 20 0 DEADHO CCC[N@@H+](CC)CCNC(=O)c1ccccc1OCCN(C)C ZINC000266939535 403001446 /nfs/dbraw/zinc/00/14/46/403001446.db2.gz WAXDYEINYXGBJJ-UHFFFAOYSA-N 1 3 321.465 2.089 20 0 DEADHO C[C@@H](CCNC(=O)/C=C/CN(C)C)[N@H+](C)Cc1ccccc1 ZINC000266947556 403002018 /nfs/dbraw/zinc/00/20/18/403002018.db2.gz QZNFVVYOBKZKSJ-KXKDPZRNSA-N 1 3 303.450 2.131 20 0 DEADHO C[C@@H](CCNC(=O)/C=C/CN(C)C)[N@@H+](C)Cc1ccccc1 ZINC000266947556 403002019 /nfs/dbraw/zinc/00/20/19/403002019.db2.gz QZNFVVYOBKZKSJ-KXKDPZRNSA-N 1 3 303.450 2.131 20 0 DEADHO C[C@H](CC(N)=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000267266727 403030843 /nfs/dbraw/zinc/03/08/43/403030843.db2.gz RKQPBBXDZOHRRB-OAHLLOKOSA-N 1 3 303.450 2.272 20 0 DEADHO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H](C)CCN(C)C ZINC000273126879 402974274 /nfs/dbraw/zinc/97/42/74/402974274.db2.gz ARXVKWVAAUCMHD-KBPBESRZSA-N 1 3 308.422 2.229 20 0 DEADHO C[NH+]1CCC(CC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000273184786 402980927 /nfs/dbraw/zinc/98/09/27/402980927.db2.gz FRLKUHVLDQZXBW-GOSISDBHSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)C2CCN(C)CC2)C1 ZINC000345003343 404494205 /nfs/dbraw/zinc/49/42/05/404494205.db2.gz OOKAIMIHEOVCAF-INMHGKMJSA-N 1 3 307.482 2.192 20 0 DEADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc2c(c1)COC2 ZINC000268770458 403112147 /nfs/dbraw/zinc/11/21/47/403112147.db2.gz PRVVNJOESNNIHQ-OAHLLOKOSA-N 1 3 317.477 2.393 20 0 DEADHO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[C@H](O)CN1CCCC1 ZINC000268802298 403115284 /nfs/dbraw/zinc/11/52/84/403115284.db2.gz BLMLRTPMQQVYGH-GLJUWKHASA-N 1 3 306.425 2.495 20 0 DEADHO CCN1CCN(c2ccc(NC(=O)[C@H]([NH3+])C(C)C)c(C)c2)CC1 ZINC000269271772 403126962 /nfs/dbraw/zinc/12/69/62/403126962.db2.gz TZOQEMQWJNPTOJ-QGZVFWFLSA-N 1 3 318.465 2.059 20 0 DEADHO COc1ccc([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000282296796 403141097 /nfs/dbraw/zinc/14/10/97/403141097.db2.gz MCDMUOFVFLNCOO-OAHLLOKOSA-N 1 3 305.466 2.372 20 0 DEADHO C[C@H]1NCCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC000277455374 403219686 /nfs/dbraw/zinc/21/96/86/403219686.db2.gz HGDJETFHNYIKJT-CVEARBPZSA-N 1 3 315.461 2.107 20 0 DEADHO CCN1CCN(c2ccc(NC(=O)CC[C@H](C)[NH3+])c(C)c2)CC1 ZINC000277466158 403220673 /nfs/dbraw/zinc/22/06/73/403220673.db2.gz JGHPWOCKCXNKTD-HNNXBMFYSA-N 1 3 318.465 2.203 20 0 DEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000292082387 403286792 /nfs/dbraw/zinc/28/67/92/403286792.db2.gz MHJLLMFYUKGZGP-KRWDZBQOSA-N 1 3 321.440 2.248 20 0 DEADHO CC[N@H+]1C[C@H](N[C@@H](CN(C)C)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000342800104 403355305 /nfs/dbraw/zinc/35/53/05/403355305.db2.gz QPOZUXACRBLNNW-WBAXXEDZSA-N 1 3 305.466 2.228 20 0 DEADHO CC[N@@H+]1C[C@H](N[C@@H](CN(C)C)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000342800104 403355310 /nfs/dbraw/zinc/35/53/10/403355310.db2.gz QPOZUXACRBLNNW-WBAXXEDZSA-N 1 3 305.466 2.228 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000339470204 403384164 /nfs/dbraw/zinc/38/41/64/403384164.db2.gz PYDDSUMBQVZXCM-HLLBOEOZSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)N(CC)CC ZINC000342912290 403393321 /nfs/dbraw/zinc/39/33/21/403393321.db2.gz BSKCPIJIKVERKP-KRWDZBQOSA-N 1 3 305.466 2.485 20 0 DEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000285939562 403414563 /nfs/dbraw/zinc/41/45/63/403414563.db2.gz FVTRGMGUOHHCIP-OAHLLOKOSA-N 1 3 321.440 2.106 20 0 DEADHO C[C@@H](C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)CN(C)C ZINC000293231974 403420722 /nfs/dbraw/zinc/42/07/22/403420722.db2.gz AXJJWIJBMSKFLT-KBPBESRZSA-N 1 3 305.422 2.492 20 0 DEADHO Cc1ccc([O-])c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000298789403 403463220 /nfs/dbraw/zinc/46/32/20/403463220.db2.gz DLQIOUYOEZYYCR-UHFFFAOYSA-N 1 3 321.465 2.046 20 0 DEADHO CN1CCC[C@H]1CC[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000293496511 403487985 /nfs/dbraw/zinc/48/79/85/403487985.db2.gz ZJGOBXCZUNVSCH-SFHVURJKSA-N 1 3 302.462 2.497 20 0 DEADHO CC(C)N1CCCN(C(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000345841163 403505921 /nfs/dbraw/zinc/50/59/21/403505921.db2.gz SZSNQNXSCXBOQE-KRWDZBQOSA-N 1 3 324.513 2.377 20 0 DEADHO c1ccc2nc(CN[C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)ccc2c1 ZINC000343245530 403508488 /nfs/dbraw/zinc/50/84/88/403508488.db2.gz MHPQUWPUWLVHTK-QXAKKESOSA-N 1 3 311.429 2.482 20 0 DEADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000339988185 403517372 /nfs/dbraw/zinc/51/73/72/403517372.db2.gz QTGSANBMVTWSAA-HZPDHXFCSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H](NCc1ccncc1OCC[NH+](C)C)[C@]1(C)CCCO1 ZINC000340401321 403605549 /nfs/dbraw/zinc/60/55/49/403605549.db2.gz LPKSAKCWMBWAOD-YOEHRIQHSA-N 1 3 307.438 2.069 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](NCCc2nccnc2C)[C@@H](C)C1 ZINC000340488541 403626755 /nfs/dbraw/zinc/62/67/55/403626755.db2.gz BMNYKIYRKFJKFN-RDJZCZTQSA-N 1 3 320.481 2.054 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](NCCc2nccnc2C)[C@@H](C)C1 ZINC000340488541 403626759 /nfs/dbraw/zinc/62/67/59/403626759.db2.gz BMNYKIYRKFJKFN-RDJZCZTQSA-N 1 3 320.481 2.054 20 0 DEADHO CC(C)[C@@H](Cn1cccn1)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000340538158 403641203 /nfs/dbraw/zinc/64/12/03/403641203.db2.gz UBCVJSGNUKKVDV-KZNAEPCWSA-N 1 3 322.497 2.387 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)CCCN1C ZINC000343610585 403662682 /nfs/dbraw/zinc/66/26/82/403662682.db2.gz CYLOCKOJZVFEFG-PBHICJAKSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)CCN1C ZINC000340930485 403701775 /nfs/dbraw/zinc/70/17/75/403701775.db2.gz ACNIGTOAPKJPST-HZPDHXFCSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)CCN1C ZINC000340930485 403701780 /nfs/dbraw/zinc/70/17/80/403701780.db2.gz ACNIGTOAPKJPST-HZPDHXFCSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@H](c1ccccn1)N1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000343717203 403705516 /nfs/dbraw/zinc/70/55/16/403705516.db2.gz RXUFYYAOKCADQY-JKSUJKDBSA-N 1 3 302.466 2.243 20 0 DEADHO C[C@H](c1ccccn1)N1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000343717203 403705520 /nfs/dbraw/zinc/70/55/20/403705520.db2.gz RXUFYYAOKCADQY-JKSUJKDBSA-N 1 3 302.466 2.243 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCC1=CCN(C)CC1 ZINC000343746404 403716048 /nfs/dbraw/zinc/71/60/48/403716048.db2.gz VVLATQHLGIJYIQ-QGZVFWFLSA-N 1 3 322.497 2.058 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NCC1=CCN(C)CC1 ZINC000343746404 403716052 /nfs/dbraw/zinc/71/60/52/403716052.db2.gz VVLATQHLGIJYIQ-QGZVFWFLSA-N 1 3 322.497 2.058 20 0 DEADHO C[C@H]1C[C@H](NC(=O)NCc2ccc(C[NH+](C)C)cc2)CCN1C ZINC000340998676 403729214 /nfs/dbraw/zinc/72/92/14/403729214.db2.gz ZHZFPHVXUXBLBC-WMLDXEAASA-N 1 3 318.465 2.030 20 0 DEADHO C[C@@H]1CCC[C@](CNC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)([NH+](C)C)C1 ZINC000341009976 403733526 /nfs/dbraw/zinc/73/35/26/403733526.db2.gz DWHPHEDMWIILTA-HPFXQQBRSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000347531629 403743598 /nfs/dbraw/zinc/74/35/98/403743598.db2.gz OHUZXIKYKPQLEC-GASCZTMLSA-N 1 3 315.461 2.388 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000347531629 403743601 /nfs/dbraw/zinc/74/36/01/403743601.db2.gz OHUZXIKYKPQLEC-GASCZTMLSA-N 1 3 315.461 2.388 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000303427595 403755571 /nfs/dbraw/zinc/75/55/71/403755571.db2.gz AZRCVBPBJZLJDR-YESZJQIVSA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000303427595 403755575 /nfs/dbraw/zinc/75/55/75/403755575.db2.gz AZRCVBPBJZLJDR-YESZJQIVSA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000303427586 403755603 /nfs/dbraw/zinc/75/56/03/403755603.db2.gz AZRCVBPBJZLJDR-BRWVUGGUSA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000303427586 403755608 /nfs/dbraw/zinc/75/56/08/403755608.db2.gz AZRCVBPBJZLJDR-BRWVUGGUSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H]1C[C@H](NC(=O)Nc2cccc(CN(C)C)c2)CC[N@@H+]1C ZINC000341202544 403827831 /nfs/dbraw/zinc/82/78/31/403827831.db2.gz MWAQKEZZNGQJEO-XJKSGUPXSA-N 1 3 304.438 2.352 20 0 DEADHO C[C@H]1C[C@H](NC(=O)Nc2cccc(CN(C)C)c2)CC[N@H+]1C ZINC000341202544 403827836 /nfs/dbraw/zinc/82/78/36/403827836.db2.gz MWAQKEZZNGQJEO-XJKSGUPXSA-N 1 3 304.438 2.352 20 0 DEADHO COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N ZINC000423044590 286389762 /nfs/dbraw/zinc/38/97/62/286389762.db2.gz BPLHUQZJXCWQNX-ARKSPBFVSA-N 1 3 318.461 2.457 20 0 DEADHO C[C@]1(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)CCCCN1 ZINC000333600323 403789233 /nfs/dbraw/zinc/78/92/33/403789233.db2.gz PLOGSXRPZRLYRQ-OAHLLOKOSA-N 1 3 308.451 2.081 20 0 DEADHO COc1ccc([C@H](C)[NH2+]C[C@@H](O)CN2CCC(C)CC2)cc1 ZINC000305109326 403835408 /nfs/dbraw/zinc/83/54/08/403835408.db2.gz FFHYZVARYSYUET-DOTOQJQBSA-N 1 3 306.450 2.439 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000295302879 403843298 /nfs/dbraw/zinc/84/32/98/403843298.db2.gz VFRSSHQIURVEAM-YJBOKZPZSA-N 1 3 317.477 2.183 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000333780376 403857785 /nfs/dbraw/zinc/85/77/85/403857785.db2.gz DQXOEOYXYKNGKO-VQHPVUNQSA-N 1 3 322.497 2.020 20 0 DEADHO CC[C@H](NCC(=O)NC1CC[NH+](CC)CC1)c1ccccc1 ZINC000411451294 403860373 /nfs/dbraw/zinc/86/03/73/403860373.db2.gz FVJXAERGFXTUGE-KRWDZBQOSA-N 1 3 303.450 2.328 20 0 DEADHO CN(CCCN(C)Cc1nc2ccccc2o1)CC[NH+](C)C ZINC000344050101 403875176 /nfs/dbraw/zinc/87/51/76/403875176.db2.gz ZRFQTWAGMWKGAQ-UHFFFAOYSA-N 1 3 304.438 2.143 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCC[C@@H](C)C1 ZINC000337389731 403992896 /nfs/dbraw/zinc/99/28/96/403992896.db2.gz YZCXQVONTUATIG-WCXIOVBPSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCC[C@@H](C)C1 ZINC000337389731 403992903 /nfs/dbraw/zinc/99/29/03/403992903.db2.gz YZCXQVONTUATIG-WCXIOVBPSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](CN(C)C)NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000354724455 403970588 /nfs/dbraw/zinc/97/05/88/403970588.db2.gz GXRQEICDVZHMKJ-KLAILNCOSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@]1(O)CCC[N@@H+](C/C=C/CN2CCC[C@](C)(O)CC2)CC1 ZINC000369131060 403976436 /nfs/dbraw/zinc/97/64/36/403976436.db2.gz SPAOIQNYLICMRX-GEWVGOBGSA-N 1 3 310.482 2.016 20 0 DEADHO C[C@@]1(O)CCC[N@H+](C/C=C/CN2CCC[C@](C)(O)CC2)CC1 ZINC000369131060 403976442 /nfs/dbraw/zinc/97/64/42/403976442.db2.gz SPAOIQNYLICMRX-GEWVGOBGSA-N 1 3 310.482 2.016 20 0 DEADHO C[C@@]1(O)CCCN(C/C=C/C[N@@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000369131060 403976448 /nfs/dbraw/zinc/97/64/48/403976448.db2.gz SPAOIQNYLICMRX-GEWVGOBGSA-N 1 3 310.482 2.016 20 0 DEADHO C[C@@]1(O)CCCN(C/C=C/C[N@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000369131060 403976452 /nfs/dbraw/zinc/97/64/52/403976452.db2.gz SPAOIQNYLICMRX-GEWVGOBGSA-N 1 3 310.482 2.016 20 0 DEADHO C[C@H](NC1CC1)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000295978155 404037118 /nfs/dbraw/zinc/03/71/18/404037118.db2.gz JCWARZIQRRQURF-ZDUSSCGKSA-N 1 3 316.449 2.272 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000290092730 404037701 /nfs/dbraw/zinc/03/77/01/404037701.db2.gz WYMYWWRKSNQQSM-ROUUACIJSA-N 1 3 315.461 2.155 20 0 DEADHO CC(C)CN(CC(C)C)C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000320955684 404070954 /nfs/dbraw/zinc/07/09/54/404070954.db2.gz NRDWRTWZWWQWLX-CALCHBBNSA-N 1 3 309.498 2.058 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000341617105 404071487 /nfs/dbraw/zinc/07/14/87/404071487.db2.gz QLDYCGCFCNLOFY-FVQBIDKESA-N 1 3 324.513 2.135 20 0 DEADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc2c(c1)CCC(=O)N2C ZINC000290320051 404124213 /nfs/dbraw/zinc/12/42/13/404124213.db2.gz CVUYLZPUJQIAAR-YOEHRIQHSA-N 1 3 315.461 2.368 20 0 DEADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc2c(c1)CCC(=O)N2C ZINC000290320051 404124219 /nfs/dbraw/zinc/12/42/19/404124219.db2.gz CVUYLZPUJQIAAR-YOEHRIQHSA-N 1 3 315.461 2.368 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000349114534 404125440 /nfs/dbraw/zinc/12/54/40/404125440.db2.gz ALKWSBMCRLAUBW-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H]1C[C@H](C[N@@H+]2CCN(C3CCN(C)CC3)[C@@H](C)C2)CCO1 ZINC000349331337 404150738 /nfs/dbraw/zinc/15/07/38/404150738.db2.gz LIXIWNBHSJGYDF-YQVWRLOYSA-N 1 3 323.525 2.292 20 0 DEADHO CC[C@@H]1C[C@H](C[N@H+]2CCN(C3CCN(C)CC3)[C@@H](C)C2)CCO1 ZINC000349331337 404150740 /nfs/dbraw/zinc/15/07/40/404150740.db2.gz LIXIWNBHSJGYDF-YQVWRLOYSA-N 1 3 323.525 2.292 20 0 DEADHO CCS(=O)(=O)C[C@@H](C)[NH2+]CCCCN1CCCC[C@@H]1C ZINC000341756529 404154473 /nfs/dbraw/zinc/15/44/73/404154473.db2.gz DVSLAAITUHCVHM-CABCVRRESA-N 1 3 304.500 2.054 20 0 DEADHO C[C@@H](CN(C)C)NC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000349592621 404171451 /nfs/dbraw/zinc/17/14/51/404171451.db2.gz XRZHHFBHYQSETO-INIZCTEOSA-N 1 3 324.513 2.425 20 0 DEADHO CCN(CCC[NH+](C)C)C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000344515728 404197744 /nfs/dbraw/zinc/19/77/44/404197744.db2.gz ALWYRORNQPQOIQ-CVEARBPZSA-N 1 3 312.502 2.233 20 0 DEADHO C[C@H](C(=O)N1CCCC12CCN(C)CC2)[NH+]1[C@H](C)CC[C@H]1C ZINC000412230806 404199832 /nfs/dbraw/zinc/19/98/32/404199832.db2.gz SHCPUWXLDRDQJM-BZUAXINKSA-N 1 3 307.482 2.335 20 0 DEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C)CC[C@@H]1C ZINC000355502233 404344383 /nfs/dbraw/zinc/34/43/83/404344383.db2.gz GSOCVGZZXFRANN-YVSFHVDLSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C)CC[C@@H]1C ZINC000355502233 404344392 /nfs/dbraw/zinc/34/43/92/404344392.db2.gz GSOCVGZZXFRANN-YVSFHVDLSA-N 1 3 324.513 2.088 20 0 DEADHO Cc1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000370148444 404350692 /nfs/dbraw/zinc/35/06/92/404350692.db2.gz KVYSJFYQZCFOBT-IEBWSBKVSA-N 1 3 301.478 2.453 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@@H]3CCCN(c4ccccc4)C3=O)C[C@@H]21 ZINC000342089746 404359017 /nfs/dbraw/zinc/35/90/17/404359017.db2.gz BHRCBGVESXIEJV-BZZMCLGOSA-N 1 3 313.445 2.241 20 0 DEADHO COCCOCc1ccc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000342183204 404427844 /nfs/dbraw/zinc/42/78/44/404427844.db2.gz BEURJKTUIIKKFR-YJBOKZPZSA-N 1 3 306.450 2.279 20 0 DEADHO COCCOCc1ccc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000342183204 404427848 /nfs/dbraw/zinc/42/78/48/404427848.db2.gz BEURJKTUIIKKFR-YJBOKZPZSA-N 1 3 306.450 2.279 20 0 DEADHO CNC(=O)CCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000355785985 404367087 /nfs/dbraw/zinc/36/70/87/404367087.db2.gz QKRIIEKLSPHTAY-IBGZPJMESA-N 1 3 315.461 2.111 20 0 DEADHO CNC(=O)CCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000355785985 404367091 /nfs/dbraw/zinc/36/70/91/404367091.db2.gz QKRIIEKLSPHTAY-IBGZPJMESA-N 1 3 315.461 2.111 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)N(C)C ZINC000370646541 404400888 /nfs/dbraw/zinc/40/08/88/404400888.db2.gz VYJQMUOQPAXSHS-IAGOWNOFSA-N 1 3 303.450 2.060 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)N(C)C ZINC000370646541 404400895 /nfs/dbraw/zinc/40/08/95/404400895.db2.gz VYJQMUOQPAXSHS-IAGOWNOFSA-N 1 3 303.450 2.060 20 0 DEADHO C[C@H](CNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C)N(C)C1CC1 ZINC000356223284 404407597 /nfs/dbraw/zinc/40/75/97/404407597.db2.gz KNUAFDXSHOVLOU-RBSFLKMASA-N 1 3 310.486 2.031 20 0 DEADHO C[C@H](CNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C)N(C)C1CC1 ZINC000356223284 404407599 /nfs/dbraw/zinc/40/75/99/404407599.db2.gz KNUAFDXSHOVLOU-RBSFLKMASA-N 1 3 310.486 2.031 20 0 DEADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000351159456 404523373 /nfs/dbraw/zinc/52/33/73/404523373.db2.gz DRBSGUYWWLSNAB-OAHLLOKOSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)(C)[NH+]1CCC(N[C@H]2CCCN(c3ccncn3)C2)CC1 ZINC000371485080 404461766 /nfs/dbraw/zinc/46/17/66/404461766.db2.gz KIHQUXMLWVPKLH-INIZCTEOSA-N 1 3 317.481 2.298 20 0 DEADHO CN(C[C@H](O)CN1CCC[N@H+](CC2CCCCC2)CC1)C1CC1 ZINC000351440812 404582800 /nfs/dbraw/zinc/58/28/00/404582800.db2.gz IMQHCPUQDRJDHT-IBGZPJMESA-N 1 3 323.525 2.030 20 0 DEADHO CN(C[C@H](O)CN1CCC[N@@H+](CC2CCCCC2)CC1)C1CC1 ZINC000351440812 404582807 /nfs/dbraw/zinc/58/28/07/404582807.db2.gz IMQHCPUQDRJDHT-IBGZPJMESA-N 1 3 323.525 2.030 20 0 DEADHO Cc1nccn1CC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000342447706 404584698 /nfs/dbraw/zinc/58/46/98/404584698.db2.gz MWKOVXUJPUQAEI-HZPDHXFCSA-N 1 3 320.481 2.013 20 0 DEADHO O[C@@H]1Cc2ccccc2[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297691375 404592049 /nfs/dbraw/zinc/59/20/49/404592049.db2.gz PWQYVEYVXNZDOE-RTBURBONSA-N 1 3 309.413 2.298 20 0 DEADHO O=C(CC[C@@H]1CCC[NH2+]1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000292067019 404653562 /nfs/dbraw/zinc/65/35/62/404653562.db2.gz KSXUEDCRDSGFIA-ZWKOTPCHSA-N 1 3 315.461 2.299 20 0 DEADHO CCN1CC[C@@H]([NH2+]Cc2ccccc2N2CCN(CC)CC2)C1 ZINC000414546647 404675022 /nfs/dbraw/zinc/67/50/22/404675022.db2.gz UGQVCPFULSKVRC-GOSISDBHSA-N 1 3 316.493 2.012 20 0 DEADHO CCc1cccnc1[C@@H](C)NCCN1CCC([NH+](C)C)CC1 ZINC000356840681 404705257 /nfs/dbraw/zinc/70/52/57/404705257.db2.gz JQJIHGMKMGFWJL-OAHLLOKOSA-N 1 3 304.482 2.321 20 0 DEADHO CCO[C@@H]1C[C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C12CCCC2 ZINC000374233228 404701544 /nfs/dbraw/zinc/70/15/44/404701544.db2.gz ZGOUWQUJRUFJGU-IAGOWNOFSA-N 1 3 323.525 2.340 20 0 DEADHO C[NH2+]C[C@@H](C)CNCc1ccccc1N(C)C1CCN(C)CC1 ZINC000414834789 404744217 /nfs/dbraw/zinc/74/42/17/404744217.db2.gz HSBVZTVFGDNRAX-MRXNPFEDSA-N 1 3 318.509 2.162 20 0 DEADHO C[C@H](CNC(=O)N[C@@H](C)C1=CCN(C)CC1)[N@@H+]1CCCC[C@H]1C ZINC000357853331 404746236 /nfs/dbraw/zinc/74/62/36/404746236.db2.gz PJNISXJJSZWHDZ-OAGGEKHMSA-N 1 3 322.497 2.199 20 0 DEADHO C[C@H](CNC(=O)N[C@@H](C)C1=CCN(C)CC1)[N@H+]1CCCC[C@H]1C ZINC000357853331 404746241 /nfs/dbraw/zinc/74/62/41/404746241.db2.gz PJNISXJJSZWHDZ-OAGGEKHMSA-N 1 3 322.497 2.199 20 0 DEADHO CCOc1c(CNCC[C@@H]2CC[NH2+]C2)c(C)nn1CC(C)C ZINC000414841516 404746609 /nfs/dbraw/zinc/74/66/09/404746609.db2.gz YCNNLQXSAMLEIG-HNNXBMFYSA-N 1 3 308.470 2.335 20 0 DEADHO COc1ccc(CNCC[C@@H]2CCC[NH2+]C2)c(OC)c1OC ZINC000414855683 404749547 /nfs/dbraw/zinc/74/95/47/404749547.db2.gz XFEOBJRHCQUCNR-ZDUSSCGKSA-N 1 3 308.422 2.192 20 0 DEADHO FC(F)(F)c1ccc(Cl)c(CNCCN2CC[NH2+]CC2)c1 ZINC000414859045 404750145 /nfs/dbraw/zinc/75/01/45/404750145.db2.gz AKHFDIFSQBZZDX-UHFFFAOYSA-N 1 3 321.774 2.354 20 0 DEADHO CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000414893142 404760852 /nfs/dbraw/zinc/76/08/52/404760852.db2.gz XWUBQXZODCDAFC-QGZVFWFLSA-N 1 3 322.453 2.122 20 0 DEADHO COc1cc(OC)c(CNCC2(C)CC[NH2+]CC2)c(OC)c1 ZINC000414900957 404762629 /nfs/dbraw/zinc/76/26/29/404762629.db2.gz HSSUGKQMDMYFAV-UHFFFAOYSA-N 1 3 308.422 2.192 20 0 DEADHO C[C@H](Cn1cc(Br)cn1)NC[C@]1(C)CCC[NH2+]C1 ZINC000414905069 404763287 /nfs/dbraw/zinc/76/32/87/404763287.db2.gz LCEAVIJCWJBCHB-DGCLKSJQSA-N 1 3 315.259 2.013 20 0 DEADHO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414905069 404763288 /nfs/dbraw/zinc/76/32/88/404763288.db2.gz LCEAVIJCWJBCHB-DGCLKSJQSA-N 1 3 315.259 2.013 20 0 DEADHO COc1cc(Br)c(CNCCCC[NH3+])c(OC)c1 ZINC000414915798 404764799 /nfs/dbraw/zinc/76/47/99/404764799.db2.gz ZWYVXNULRLJXOP-UHFFFAOYSA-N 1 3 317.227 2.295 20 0 DEADHO C[C@@H]1CCC[C@H](NC(=O)CN2CCC3(C2)CC[NH2+]CC3)[C@@H]1C ZINC000358501621 404764951 /nfs/dbraw/zinc/76/49/51/404764951.db2.gz BGDXTZHKLLCVLB-OAGGEKHMSA-N 1 3 307.482 2.003 20 0 DEADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)N1CCC[C@H]2CCCC[C@H]21 ZINC000358519957 404765382 /nfs/dbraw/zinc/76/53/82/404765382.db2.gz ULITUBUOKCKBDT-IAGOWNOFSA-N 1 3 319.493 2.243 20 0 DEADHO CCCC[C@H]([NH3+])C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000353204670 404769407 /nfs/dbraw/zinc/76/94/07/404769407.db2.gz NDEWCBWWRWAGHW-UAGQMJEPSA-N 1 3 303.450 2.283 20 0 DEADHO C[C@H](CNC(=O)N(C)CCC[NH+]1CCCC1)N1CCC(C)CC1 ZINC000352968428 404707545 /nfs/dbraw/zinc/70/75/45/404707545.db2.gz NQCCYJIPFUNWGU-QGZVFWFLSA-N 1 3 324.513 2.234 20 0 DEADHO C[N@@H+](Cc1cc2ccccc2o1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414704065 404711709 /nfs/dbraw/zinc/71/17/09/404711709.db2.gz KERLJZUNQMZFGS-AWEZNQCLSA-N 1 3 315.417 2.062 20 0 DEADHO C[N@H+](Cc1cc2ccccc2o1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414704065 404711713 /nfs/dbraw/zinc/71/17/13/404711713.db2.gz KERLJZUNQMZFGS-AWEZNQCLSA-N 1 3 315.417 2.062 20 0 DEADHO O[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C(F)F ZINC000356882760 404716081 /nfs/dbraw/zinc/71/60/81/404716081.db2.gz VHKKRNMMAFGLSW-CAOSSQGBSA-N 1 3 310.388 2.113 20 0 DEADHO COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@@]1(COC)CCCN1 ZINC000414936304 404770384 /nfs/dbraw/zinc/77/03/84/404770384.db2.gz BYIFHHHBXTZTRW-QZTJIDSGSA-N 1 3 324.440 2.132 20 0 DEADHO C[C@H](c1nccs1)N1CCN(C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414753860 404724858 /nfs/dbraw/zinc/72/48/58/404724858.db2.gz NBZLBQKXAVYVEK-RBSFLKMASA-N 1 3 308.495 2.210 20 0 DEADHO COc1cc(N2CCN(C[C@H]3CC[NH2+][C@@H](C)C3)CC2)ccc1F ZINC000414760530 404726749 /nfs/dbraw/zinc/72/67/49/404726749.db2.gz HFQPUWUMYOLVPB-GJZGRUSLSA-N 1 3 321.440 2.344 20 0 DEADHO C[C@H](CS(=O)(=O)c1ccccc1)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415018433 404789021 /nfs/dbraw/zinc/78/90/21/404789021.db2.gz BWFJNSQMGOEQID-BZUAXINKSA-N 1 3 324.490 2.204 20 0 DEADHO CC(C)C[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)N1CCOCC1 ZINC000353460776 404836712 /nfs/dbraw/zinc/83/67/12/404836712.db2.gz LIHOPZCWAHOTHI-MKXGPGLRSA-N 1 3 323.525 2.196 20 0 DEADHO CC(C)C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)N1CCOCC1 ZINC000353460776 404836717 /nfs/dbraw/zinc/83/67/17/404836717.db2.gz LIHOPZCWAHOTHI-MKXGPGLRSA-N 1 3 323.525 2.196 20 0 DEADHO CCOc1c(CN[C@H]2CC[C@@H](C[NH3+])C2)c(C)nn1CC(C)C ZINC000415031198 404791409 /nfs/dbraw/zinc/79/14/09/404791409.db2.gz GUDRGQXSTYPTLY-CABCVRRESA-N 1 3 308.470 2.463 20 0 DEADHO Cc1ccc(C[C@H](CO)N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000415108303 404809837 /nfs/dbraw/zinc/80/98/37/404809837.db2.gz PVLLNVCXOGJMHY-NCXUSEDFSA-N 1 3 302.462 2.409 20 0 DEADHO [NH3+]C1(CNCc2cncs2)CCN(Cc2ccccc2)CC1 ZINC000415139479 404817299 /nfs/dbraw/zinc/81/72/99/404817299.db2.gz XBJLFXSILKOXJA-UHFFFAOYSA-N 1 3 316.474 2.226 20 0 DEADHO CC(C)CCOc1ccc(CN2CCC(O)(C[NH3+])CC2)cc1 ZINC000415139823 404817838 /nfs/dbraw/zinc/81/78/38/404817838.db2.gz JJKSDUPZGQZLIS-UHFFFAOYSA-N 1 3 306.450 2.397 20 0 DEADHO CC[NH+](CC)Cc1ccccc1CNC(=O)C(N)C(F)(F)F ZINC000353425152 404827816 /nfs/dbraw/zinc/82/78/16/404827816.db2.gz JBLYWGIAUKGWTC-CYBMUJFWSA-N 1 3 317.355 2.034 20 0 DEADHO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000353435253 404830511 /nfs/dbraw/zinc/83/05/11/404830511.db2.gz FBORQEMLRDQLNJ-OTRWWLKZSA-N 1 3 303.450 2.312 20 0 DEADHO COC[C@@H](NCCOCC[NH+](C)C)c1cccc(Cl)c1 ZINC000353596033 404876819 /nfs/dbraw/zinc/87/68/19/404876819.db2.gz LYAPXUNMBSHRAN-OAHLLOKOSA-N 1 3 300.830 2.195 20 0 DEADHO Cc1ccccc1CN1CCCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000378201398 404890730 /nfs/dbraw/zinc/89/07/30/404890730.db2.gz JCIZXMDNXSRYBF-UHFFFAOYSA-N 1 3 303.450 2.157 20 0 DEADHO C[NH2+]CCCC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000378201932 404892375 /nfs/dbraw/zinc/89/23/75/404892375.db2.gz LMCPNVBCKXULOY-UHFFFAOYSA-N 1 3 303.450 2.029 20 0 DEADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@@H](CO)C3CCOCC3)CC2)C1 ZINC000360824927 404839956 /nfs/dbraw/zinc/83/99/56/404839956.db2.gz KRDYGLOOCNUMET-LZQZEXGQSA-N 1 3 324.509 2.407 20 0 DEADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H](CO)C3CCOCC3)CC2)C1 ZINC000360824927 404839957 /nfs/dbraw/zinc/83/99/57/404839957.db2.gz KRDYGLOOCNUMET-LZQZEXGQSA-N 1 3 324.509 2.407 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)N1CCN[C@@H](C)[C@H]1C)CC(C)C ZINC000416943025 404969208 /nfs/dbraw/zinc/96/92/08/404969208.db2.gz BRXKNANQKSBQCT-XHSDSOJGSA-N 1 3 312.502 2.135 20 0 DEADHO CCC[C@@H]([NH3+])C(=O)N[C@H](CN1CCCC1)c1ccc(OC)cc1 ZINC000423886177 404912162 /nfs/dbraw/zinc/91/21/62/404912162.db2.gz FBXDDZRYXZPAEG-IAGOWNOFSA-N 1 3 319.449 2.076 20 0 DEADHO CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000415911898 404970015 /nfs/dbraw/zinc/97/00/15/404970015.db2.gz ZFBCTOAZVPSXSJ-BBRMVZONSA-N 1 3 304.438 2.400 20 0 DEADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000416816914 404922616 /nfs/dbraw/zinc/92/26/16/404922616.db2.gz XQNGWKJHEKZNTR-CVEARBPZSA-N 1 3 306.454 2.106 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N[C@@H](C)CCC[NH3+])c1ccccc1 ZINC000416849899 404935655 /nfs/dbraw/zinc/93/56/55/404935655.db2.gz YQIARCQTAATGAC-RDJZCZTQSA-N 1 3 320.481 2.496 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C)CCC[NH3+])c1ccccc1 ZINC000416849897 404936007 /nfs/dbraw/zinc/93/60/07/404936007.db2.gz YQIARCQTAATGAC-DOTOQJQBSA-N 1 3 320.481 2.496 20 0 DEADHO CN(C)Cc1cccc(CNC(=O)NCCC[C@@H]2CCC[NH2+]2)c1 ZINC000417060152 405023460 /nfs/dbraw/zinc/02/34/60/405023460.db2.gz CWAPJZFHAMESSA-KRWDZBQOSA-N 1 3 318.465 2.080 20 0 DEADHO CCCN(C(=O)NCc1cccc(CN(C)C)c1)[C@@H]1CC[NH2+]C1 ZINC000417064290 405024534 /nfs/dbraw/zinc/02/45/34/405024534.db2.gz JLTNXJUURJELKW-QGZVFWFLSA-N 1 3 318.465 2.032 20 0 DEADHO CNCc1cccc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000415931081 404975225 /nfs/dbraw/zinc/97/52/25/404975225.db2.gz LMXROPMCPTXJIX-HZPDHXFCSA-N 1 3 302.422 2.154 20 0 DEADHO CNCc1cccc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000415931081 404975228 /nfs/dbraw/zinc/97/52/28/404975228.db2.gz LMXROPMCPTXJIX-HZPDHXFCSA-N 1 3 302.422 2.154 20 0 DEADHO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000424045441 404982334 /nfs/dbraw/zinc/98/23/34/404982334.db2.gz UGVFNGLOFBLJIV-AEFFLSMTSA-N 1 3 315.461 2.313 20 0 DEADHO CN(CCNC(=O)Nc1ccc(C[NH3+])cc1)Cc1ccccc1 ZINC000415979807 404992301 /nfs/dbraw/zinc/99/23/01/404992301.db2.gz RAJXXKNCSLXXNU-UHFFFAOYSA-N 1 3 312.417 2.399 20 0 DEADHO CC1CC[NH+](C[C@@H](O)CNC[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000417903136 405102907 /nfs/dbraw/zinc/10/29/07/405102907.db2.gz QVTYWEWDOKYGHO-FHWLQOOXSA-N 1 3 302.462 2.473 20 0 DEADHO CCc1ccc(CCN2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000436061578 405041255 /nfs/dbraw/zinc/04/12/55/405041255.db2.gz UDEVMJMOXUDUGE-SFHVURJKSA-N 1 3 317.477 2.111 20 0 DEADHO CCc1ccc(CCN2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000436061577 405041277 /nfs/dbraw/zinc/04/12/77/405041277.db2.gz UDEVMJMOXUDUGE-GOSISDBHSA-N 1 3 317.477 2.111 20 0 DEADHO CN1CC[C@@H]2CCN(C(=O)C[C@H](c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC000416203969 405055463 /nfs/dbraw/zinc/05/54/63/405055463.db2.gz ZPGBLVHZAVEYCM-KZNAEPCWSA-N 1 3 315.461 2.232 20 0 DEADHO CC(C)[C@H]([NH3+])CNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000417221758 405066741 /nfs/dbraw/zinc/06/67/41/405066741.db2.gz OQZQKTKCKCDFTI-USXIJHARSA-N 1 3 318.465 2.104 20 0 DEADHO CN(C)C[C@H]1CCCCN1C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000404907827 405070027 /nfs/dbraw/zinc/07/00/27/405070027.db2.gz AFRSWAGUFCHOGE-IAGOWNOFSA-N 1 3 303.450 2.409 20 0 DEADHO Cc1cc(Br)ccc1CNCCOCC[NH+](C)C ZINC000354189500 405088767 /nfs/dbraw/zinc/08/87/67/405088767.db2.gz OHBKFLOPAGKHDH-UHFFFAOYSA-N 1 3 315.255 2.425 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@](C)(C[NH3+])C2)cc1 ZINC000418356315 405124068 /nfs/dbraw/zinc/12/40/68/405124068.db2.gz PXCIMBIKAUPPDC-SJLPKXTDSA-N 1 3 318.465 2.190 20 0 DEADHO N[C@@H]1CCC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000568415202 292340167 /nfs/dbraw/zinc/34/01/67/292340167.db2.gz KYIYDCKWVJKXNX-NVXWUHKLSA-N 1 3 301.434 2.151 20 0 DEADHO CN(C)CC(C)(C)NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418671464 405160184 /nfs/dbraw/zinc/16/01/84/405160184.db2.gz LQWIJPRWEWMTTH-HNNXBMFYSA-N 1 3 306.454 2.106 20 0 DEADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C[C@@H](C)C1 ZINC000452119288 405179848 /nfs/dbraw/zinc/17/98/48/405179848.db2.gz HFGDJDNCNINXOW-MHORFTMASA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)C[C@@H](C)C1 ZINC000452119288 405179849 /nfs/dbraw/zinc/17/98/49/405179849.db2.gz HFGDJDNCNINXOW-MHORFTMASA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H](CCCc1cccnc1)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000453072744 405281568 /nfs/dbraw/zinc/28/15/68/405281568.db2.gz FZJQEUMNKZGZKC-KRWDZBQOSA-N 1 3 318.509 2.408 20 0 DEADHO C[C@@H]1C[C@H](N[C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)CC[N@@H+]1C ZINC000453343319 405290676 /nfs/dbraw/zinc/29/06/76/405290676.db2.gz DIYONYPQBFFKOA-WRQOLXDDSA-N 1 3 320.481 2.453 20 0 DEADHO C[C@@H]1C[C@H](N[C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)CC[N@H+]1C ZINC000453343319 405290677 /nfs/dbraw/zinc/29/06/77/405290677.db2.gz DIYONYPQBFFKOA-WRQOLXDDSA-N 1 3 320.481 2.453 20 0 DEADHO O=C([C@H]1CCCN1C1CCCC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000438557340 405250925 /nfs/dbraw/zinc/25/09/25/405250925.db2.gz KKYZHPLGESMQSP-ZWKOTPCHSA-N 1 3 319.493 2.480 20 0 DEADHO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCC[C@H](N2CCCC2)C1 ZINC000438557340 405250927 /nfs/dbraw/zinc/25/09/27/405250927.db2.gz KKYZHPLGESMQSP-ZWKOTPCHSA-N 1 3 319.493 2.480 20 0 DEADHO O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCC[C@H](N2CCCC2)C1 ZINC000438557340 405250929 /nfs/dbraw/zinc/25/09/29/405250929.db2.gz KKYZHPLGESMQSP-ZWKOTPCHSA-N 1 3 319.493 2.480 20 0 DEADHO O=C(NCCN1CCCCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000438577010 405251619 /nfs/dbraw/zinc/25/16/19/405251619.db2.gz MBTJKOYFZRNPIT-KRWDZBQOSA-N 1 3 307.482 2.386 20 0 DEADHO O=C(NCCN1CCCCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000438577010 405251623 /nfs/dbraw/zinc/25/16/23/405251623.db2.gz MBTJKOYFZRNPIT-KRWDZBQOSA-N 1 3 307.482 2.386 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000438866442 405256919 /nfs/dbraw/zinc/25/69/19/405256919.db2.gz OWCZJICUAFZHDR-WBVHZDCISA-N 1 3 322.497 2.033 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000438866442 405256922 /nfs/dbraw/zinc/25/69/22/405256922.db2.gz OWCZJICUAFZHDR-WBVHZDCISA-N 1 3 322.497 2.033 20 0 DEADHO CC[NH2+]CC1CCN(CCOCC(F)(F)C(F)F)CC1 ZINC000420292747 405308555 /nfs/dbraw/zinc/30/85/55/405308555.db2.gz PWZRJQXFXVUGLQ-UHFFFAOYSA-N 1 3 300.340 2.225 20 0 DEADHO CC[NH2+]CC1CCN([C@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000420294115 405309477 /nfs/dbraw/zinc/30/94/77/405309477.db2.gz SKLNQWZNBAZOQZ-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CO[C@@]1(C)C[C@@H]([N@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)C1(C)C ZINC000420301116 405311748 /nfs/dbraw/zinc/31/17/48/405311748.db2.gz LAXYAQPHNUWFHP-BMFAXAFESA-N 1 3 320.477 2.053 20 0 DEADHO CO[C@@]1(C)C[C@@H]([N@@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)C1(C)C ZINC000420301116 405311751 /nfs/dbraw/zinc/31/17/51/405311751.db2.gz LAXYAQPHNUWFHP-BMFAXAFESA-N 1 3 320.477 2.053 20 0 DEADHO CO[C@@]1(C)C[C@@H](N(C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1(C)C ZINC000420301116 405311754 /nfs/dbraw/zinc/31/17/54/405311754.db2.gz LAXYAQPHNUWFHP-BMFAXAFESA-N 1 3 320.477 2.053 20 0 DEADHO COc1cc(F)ccc1N1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420309149 405313703 /nfs/dbraw/zinc/31/37/03/405313703.db2.gz DMNTUUGGVSHSMY-OAHLLOKOSA-N 1 3 321.440 2.346 20 0 DEADHO CN(C)C(=O)CC[N@@H+]1CCCC[C@H]1[C@H](CN)Cc1ccccc1 ZINC000420309918 405314914 /nfs/dbraw/zinc/31/49/14/405314914.db2.gz LRZCEMVORFUOAX-ROUUACIJSA-N 1 3 317.477 2.137 20 0 DEADHO CN(C)C(=O)CC[N@H+]1CCCC[C@H]1[C@H](CN)Cc1ccccc1 ZINC000420309918 405314917 /nfs/dbraw/zinc/31/49/17/405314917.db2.gz LRZCEMVORFUOAX-ROUUACIJSA-N 1 3 317.477 2.137 20 0 DEADHO CCN(CCOc1cccc(C(=O)OC)c1)[C@@H]1CCC[NH2+]CC1 ZINC000420319211 405318055 /nfs/dbraw/zinc/31/80/55/405318055.db2.gz XMQACCABSHMLNO-MRXNPFEDSA-N 1 3 320.433 2.316 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN2CCC(c3ncc[nH]3)CC2)cc1 ZINC000420326104 405319953 /nfs/dbraw/zinc/31/99/53/405319953.db2.gz XAZNOZKOKJUPPN-MRXNPFEDSA-N 1 3 314.433 2.340 20 0 DEADHO COc1ccc([C@H](CN)C[NH+]2CCC(c3ncc[nH]3)CC2)cc1 ZINC000420326104 405319956 /nfs/dbraw/zinc/31/99/56/405319956.db2.gz XAZNOZKOKJUPPN-MRXNPFEDSA-N 1 3 314.433 2.340 20 0 DEADHO CN(CC[C@@H]1CC[NH2+]C1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000420326414 405320071 /nfs/dbraw/zinc/32/00/71/405320071.db2.gz XMTJRLYHSQKHHL-HOTGVXAUSA-N 1 3 323.506 2.053 20 0 DEADHO O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NCCC1CCCCC1 ZINC000420325531 405320281 /nfs/dbraw/zinc/32/02/81/405320281.db2.gz ISKAJNGXQDJAFL-QZTJIDSGSA-N 1 3 321.509 2.395 20 0 DEADHO C[C@H](NC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420330979 405322353 /nfs/dbraw/zinc/32/23/53/405322353.db2.gz BGFKSFAYXIGXNL-JQHSSLGASA-N 1 3 315.461 2.185 20 0 DEADHO CC(C)CN(C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)C(C)C ZINC000420333762 405323317 /nfs/dbraw/zinc/32/33/17/405323317.db2.gz SWMACRZEMKWPTC-SJORKVTESA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420333334 405323330 /nfs/dbraw/zinc/32/33/30/405323330.db2.gz SQGYKXGJKAQPGH-XDNAFOTISA-N 1 3 321.509 2.345 20 0 DEADHO COc1ccccc1CCC[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000420335363 405324032 /nfs/dbraw/zinc/32/40/32/405324032.db2.gz UULVYCJBTXENIK-QGZVFWFLSA-N 1 3 318.461 2.315 20 0 DEADHO COc1ccccc1CCC[N@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000420335363 405324034 /nfs/dbraw/zinc/32/40/34/405324034.db2.gz UULVYCJBTXENIK-QGZVFWFLSA-N 1 3 318.461 2.315 20 0 DEADHO COc1ccccc1CCCN1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420335363 405324037 /nfs/dbraw/zinc/32/40/37/405324037.db2.gz UULVYCJBTXENIK-QGZVFWFLSA-N 1 3 318.461 2.315 20 0 DEADHO C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420342865 405326427 /nfs/dbraw/zinc/32/64/27/405326427.db2.gz QCXNDUPYFNMVIN-TWMKSMIVSA-N 1 3 307.482 2.003 20 0 DEADHO COc1ccc(NC(=O)CCN[C@@H]2CC[NH2+]CC2(C)C)cc1 ZINC000420370983 405335744 /nfs/dbraw/zinc/33/57/44/405335744.db2.gz WMIDINSRJQVVJF-OAHLLOKOSA-N 1 3 305.422 2.002 20 0 DEADHO COc1ccc(NC(=O)CC[NH2+][C@@H]2CCNCC2(C)C)cc1 ZINC000420370983 405335746 /nfs/dbraw/zinc/33/57/46/405335746.db2.gz WMIDINSRJQVVJF-OAHLLOKOSA-N 1 3 305.422 2.002 20 0 DEADHO NCc1cn([C@H]2CCC[N@H+](C[C@@H]3CCCC(F)(F)C3)C2)nn1 ZINC000420374898 405336875 /nfs/dbraw/zinc/33/68/75/405336875.db2.gz HXHSUGNEPHDVQS-OCCSQVGLSA-N 1 3 313.396 2.199 20 0 DEADHO NCc1cn([C@H]2CCC[N@@H+](C[C@@H]3CCCC(F)(F)C3)C2)nn1 ZINC000420374898 405336876 /nfs/dbraw/zinc/33/68/76/405336876.db2.gz HXHSUGNEPHDVQS-OCCSQVGLSA-N 1 3 313.396 2.199 20 0 DEADHO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCC[C@@H](CC[NH3+])C1 ZINC000443079426 405338056 /nfs/dbraw/zinc/33/80/56/405338056.db2.gz ZMLOTAQIAOHNPT-NRKLIOEPSA-N 1 3 309.498 2.377 20 0 DEADHO CO[C@H](CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000425490643 405299004 /nfs/dbraw/zinc/29/90/04/405299004.db2.gz ZJZNGDYHZTWXGM-CEXWTWQISA-N 1 3 300.446 2.475 20 0 DEADHO CO[C@H](CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000425490643 405299008 /nfs/dbraw/zinc/29/90/08/405299008.db2.gz ZJZNGDYHZTWXGM-CEXWTWQISA-N 1 3 300.446 2.475 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C)CC[C@@H]1C ZINC000440188223 405305044 /nfs/dbraw/zinc/30/50/44/405305044.db2.gz OULMGTOQOSERCJ-DLBZAZTESA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C)CC[C@@H]1C ZINC000440188223 405305045 /nfs/dbraw/zinc/30/50/45/405305045.db2.gz OULMGTOQOSERCJ-DLBZAZTESA-N 1 3 324.513 2.233 20 0 DEADHO CCC1(CC)CCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000446726103 405390892 /nfs/dbraw/zinc/39/08/92/405390892.db2.gz KRARVCGBOVCGOD-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CCN1CCC([N@@H+]2CCCN(CCc3ccncc3)CC2)CC1 ZINC000420974403 405418433 /nfs/dbraw/zinc/41/84/33/405418433.db2.gz DOKXUTBCKHFHNH-UHFFFAOYSA-N 1 3 316.493 2.116 20 0 DEADHO CCN1CCC([N@H+]2CCCN(CCc3ccncc3)CC2)CC1 ZINC000420974403 405418434 /nfs/dbraw/zinc/41/84/34/405418434.db2.gz DOKXUTBCKHFHNH-UHFFFAOYSA-N 1 3 316.493 2.116 20 0 DEADHO C(CN1CCCOCC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000429697492 405444241 /nfs/dbraw/zinc/44/42/41/405444241.db2.gz UJYSDJRFOJTQIJ-IBGZPJMESA-N 1 3 323.525 2.297 20 0 DEADHO COc1cccc(NC(=O)CCN2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000430551979 405455767 /nfs/dbraw/zinc/45/57/67/405455767.db2.gz AGBUZNSAUPYHJJ-ZIAGYGMSSA-N 1 3 305.422 2.083 20 0 DEADHO CN(C)C(=O)CCN[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638452747 405477914 /nfs/dbraw/zinc/47/79/14/405477914.db2.gz CDTZWKXBLVSERJ-WMZOPIPTSA-N 1 3 315.461 2.422 20 0 DEADHO CN(C)C(=O)CCN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638452747 405477920 /nfs/dbraw/zinc/47/79/20/405477920.db2.gz CDTZWKXBLVSERJ-WMZOPIPTSA-N 1 3 315.461 2.422 20 0 DEADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1c2ccccc2C(=O)N1C ZINC000528007368 405478877 /nfs/dbraw/zinc/47/88/77/405478877.db2.gz URZLMSVOXRVCAQ-BQGCOEIASA-N 1 3 301.434 2.132 20 0 DEADHO C[C@H](CC(=O)NC[C@@H](C)N1CCCC[C@@H]1C)C1CC[NH2+]CC1 ZINC000430746126 405501915 /nfs/dbraw/zinc/50/19/15/405501915.db2.gz BGNXTRVBBWEVLN-OWCLPIDISA-N 1 3 309.498 2.391 20 0 DEADHO C[NH2+]C[C@@](C)(O)CN1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000577759514 405510160 /nfs/dbraw/zinc/51/01/60/405510160.db2.gz KQDNGGUCLZZEHY-RDTXWAMCSA-N 1 3 316.449 2.021 20 0 DEADHO C[NH2+]C[C@@](C)(O)CN1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000577759514 405510162 /nfs/dbraw/zinc/51/01/62/405510162.db2.gz KQDNGGUCLZZEHY-RDTXWAMCSA-N 1 3 316.449 2.021 20 0 DEADHO CC(C)N1CC[C@H](N(C)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000458633378 405514046 /nfs/dbraw/zinc/51/40/46/405514046.db2.gz CFLCSHQNPYVJAD-SJORKVTESA-N 1 3 324.513 2.375 20 0 DEADHO O=C1[C@@H](N2CCC3(CC[NH2+]C3)CC2)CCCN1c1ccccc1 ZINC000431033574 405564267 /nfs/dbraw/zinc/56/42/67/405564267.db2.gz IZMXGQAAWCKEMZ-KRWDZBQOSA-N 1 3 313.445 2.258 20 0 DEADHO C[C@H](CC(=O)NCCN1[C@H](C)CCC[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000430889787 405520365 /nfs/dbraw/zinc/52/03/65/405520365.db2.gz PSYTWJJIVBZOSR-VQHPVUNQSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]1CN(CCC(=O)N[C@@H]2CCCc3ccccc32)CC[C@H]1[NH3+] ZINC000430945041 405541942 /nfs/dbraw/zinc/54/19/42/405541942.db2.gz VTGVALNDVWEOFX-ZTFGCOKTSA-N 1 3 315.461 2.239 20 0 DEADHO OCCCN1CCC[C@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000449395897 405544312 /nfs/dbraw/zinc/54/43/12/405544312.db2.gz JXPPOKKZADQIAU-SFHVURJKSA-N 1 3 323.525 2.220 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)N(CC)CC ZINC000638559790 405546736 /nfs/dbraw/zinc/54/67/36/405546736.db2.gz QRGXNMSJNAOWBM-FRRDWIJNSA-N 1 3 323.403 2.093 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]CC2=CCOCC2)CC1 ZINC000449401752 405547724 /nfs/dbraw/zinc/54/77/24/405547724.db2.gz IOWMQMMPTWSBFU-UHFFFAOYSA-N 1 3 315.461 2.265 20 0 DEADHO C[NH+](C)CC[C@H](NCCC(=O)Nc1cccnc1)C(C)(C)C ZINC000568619795 292354281 /nfs/dbraw/zinc/35/42/81/292354281.db2.gz ISDRIUZMDNAIRM-HNNXBMFYSA-N 1 3 306.454 2.366 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000635872341 405570891 /nfs/dbraw/zinc/57/08/91/405570891.db2.gz NPXBEWPFEHSFCM-HNNXBMFYSA-N 1 3 307.482 2.099 20 0 DEADHO CO[C@](C)(CNC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C1CC1 ZINC000638747686 405647946 /nfs/dbraw/zinc/64/79/46/405647946.db2.gz FFKAATFCTQVJIY-RCCFBDPRSA-N 1 3 310.482 2.159 20 0 DEADHO CN1CCC(Nc2ccccc2NC(=O)CC[NH2+]C2CC2)CC1 ZINC000568651604 292358256 /nfs/dbraw/zinc/35/82/56/292358256.db2.gz GNMKQDLSCQUKRT-UHFFFAOYSA-N 1 3 316.449 2.273 20 0 DEADHO Cc1ccoc1C(=O)NCCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422916762 405690328 /nfs/dbraw/zinc/69/03/28/405690328.db2.gz DZTCCSIHTUABBI-OAGGEKHMSA-N 1 3 319.449 2.218 20 0 DEADHO CC[C@@H]1OCC[C@H]1N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423170690 405709644 /nfs/dbraw/zinc/70/96/44/405709644.db2.gz MRWHYFVJLXSHJE-CVYDXHPNSA-N 1 3 302.418 2.399 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000459061023 405722199 /nfs/dbraw/zinc/72/21/99/405722199.db2.gz OWENUPLQISQFBK-ALOPSCKCSA-N 1 3 322.497 2.129 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000459061023 405722204 /nfs/dbraw/zinc/72/22/04/405722204.db2.gz OWENUPLQISQFBK-ALOPSCKCSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H]([NH3+])CC(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638851383 405713462 /nfs/dbraw/zinc/71/34/62/405713462.db2.gz JLNGLXKSNNERJZ-DOTOQJQBSA-N 1 3 303.450 2.285 20 0 DEADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000582415202 405723947 /nfs/dbraw/zinc/72/39/47/405723947.db2.gz FUHANFQQEWHBRQ-NVXWUHKLSA-N 1 3 324.440 2.275 20 0 DEADHO Cn1cc([C@@H](NCC[C@H]2CC[NH2+]C2)c2cccc(F)c2)cn1 ZINC000423244516 405735570 /nfs/dbraw/zinc/73/55/70/405735570.db2.gz HOCMIZYQXIPLHS-DYVFJYSZSA-N 1 3 302.397 2.238 20 0 DEADHO Cc1ccc(NC(=O)CCNCC(C)(C)C[NH+]2CCCC2)nc1 ZINC000583436715 405739120 /nfs/dbraw/zinc/73/91/20/405739120.db2.gz YKZKGMRAYDMDEF-UHFFFAOYSA-N 1 3 318.465 2.430 20 0 DEADHO Cc1ccc(NC(=O)CC[NH2+]CC(C)(C)CN2CCCC2)nc1 ZINC000583436715 405739126 /nfs/dbraw/zinc/73/91/26/405739126.db2.gz YKZKGMRAYDMDEF-UHFFFAOYSA-N 1 3 318.465 2.430 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000494669316 405742935 /nfs/dbraw/zinc/74/29/35/405742935.db2.gz UIHSHEYEELWTOP-KBAYOESNSA-N 1 3 315.461 2.470 20 0 DEADHO C[C@H]([NH2+]CC(C)(C)N)c1ccc(OCc2nccn2C)cc1 ZINC000423280801 405748305 /nfs/dbraw/zinc/74/83/05/405748305.db2.gz AHKAOBIUVAZEMR-ZDUSSCGKSA-N 1 3 302.422 2.387 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@H]([NH3+])C2CCC2)N(C)C)cc1 ZINC000423306535 405755015 /nfs/dbraw/zinc/75/50/15/405755015.db2.gz LQECRVYVTYGMEZ-DLBZAZTESA-N 1 3 303.450 2.095 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@@H]([NH3+])C1CCC1)c1ccsc1 ZINC000423321354 405760390 /nfs/dbraw/zinc/76/03/90/405760390.db2.gz HKASCCPLMZXQRU-GJZGRUSLSA-N 1 3 309.479 2.375 20 0 DEADHO CCN(Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1)C1CC1 ZINC000432528125 405779274 /nfs/dbraw/zinc/77/92/74/405779274.db2.gz SOBOTARSFPJIFX-KBXCAEBGSA-N 1 3 315.461 2.399 20 0 DEADHO CO[C@](C)(C[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)C1CC1 ZINC000638975862 405792320 /nfs/dbraw/zinc/79/23/20/405792320.db2.gz CMQGCTGRUDOKKK-RTBURBONSA-N 1 3 318.461 2.158 20 0 DEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2C[C@H](C)CCN2)C1 ZINC000423413102 405795522 /nfs/dbraw/zinc/79/55/22/405795522.db2.gz YCYFLPKNQMWOTF-BZUAXINKSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2C[C@H](C)CCN2)C1 ZINC000423413102 405795533 /nfs/dbraw/zinc/79/55/33/405795533.db2.gz YCYFLPKNQMWOTF-BZUAXINKSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2C[C@@H](C)CCN2)C1 ZINC000423413101 405796147 /nfs/dbraw/zinc/79/61/47/405796147.db2.gz YCYFLPKNQMWOTF-ARFHVFGLSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2C[C@@H](C)CCN2)C1 ZINC000423413101 405796156 /nfs/dbraw/zinc/79/61/56/405796156.db2.gz YCYFLPKNQMWOTF-ARFHVFGLSA-N 1 3 309.498 2.391 20 0 DEADHO [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H](c2nnc[n-]2)c2ccc(F)cc2)CC1 ZINC000423419522 405800237 /nfs/dbraw/zinc/80/02/37/405800237.db2.gz IZDMCXXMVSBDLJ-XEZPLFJOSA-N 1 3 317.412 2.388 20 0 DEADHO CCc1ccc2nccc(NCC3CC[NH+](CCO)CC3)c2c1 ZINC000450312624 405827636 /nfs/dbraw/zinc/82/76/36/405827636.db2.gz MRIQNCLKQZUYDN-UHFFFAOYSA-N 1 3 313.445 2.335 20 0 DEADHO C[C@@H]1CCN[C@@H](C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000423355131 405774537 /nfs/dbraw/zinc/77/45/37/405774537.db2.gz OPMDGBMVAJVRJL-SJLPKXTDSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CCN[C@@H](C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000423355131 405774543 /nfs/dbraw/zinc/77/45/43/405774543.db2.gz OPMDGBMVAJVRJL-SJLPKXTDSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccc3c(c2)CNCCO3)cc1 ZINC000423651174 405893602 /nfs/dbraw/zinc/89/36/02/405893602.db2.gz ODQOXIAVKYFCOC-GFCCVEGCSA-N 1 3 311.385 2.441 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCCc1cccs1 ZINC000530641474 405837965 /nfs/dbraw/zinc/83/79/65/405837965.db2.gz HTOTXSCXOSXMHY-UHFFFAOYSA-N 1 3 311.495 2.023 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)cc1 ZINC000423718007 405925962 /nfs/dbraw/zinc/92/59/62/405925962.db2.gz ASAFPIHKIBYIMY-PKOBYXMFSA-N 1 3 315.461 2.144 20 0 DEADHO CC(C)[C@@H](C[NH3+])C(=O)N(CCCc1ccccc1)CCN(C)C ZINC000423739559 405938671 /nfs/dbraw/zinc/93/86/71/405938671.db2.gz FZZZVPGCELINHR-GOSISDBHSA-N 1 3 319.493 2.240 20 0 DEADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H](N)C1CCC1 ZINC000423746326 405943627 /nfs/dbraw/zinc/94/36/27/405943627.db2.gz QWFBRRIEYOUCQT-KRWDZBQOSA-N 1 3 303.450 2.224 20 0 DEADHO Cc1ncc([C@@H](C)N(C)CCN(C)C2CC[NH+](C)CC2)c(C)n1 ZINC000639170606 405943719 /nfs/dbraw/zinc/94/37/19/405943719.db2.gz VVUBPPQBESXOBL-OAHLLOKOSA-N 1 3 319.497 2.112 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423755726 405948811 /nfs/dbraw/zinc/94/88/11/405948811.db2.gz FTFQPHJPFTVOAL-DLBZAZTESA-N 1 3 309.498 2.474 20 0 DEADHO CCC[NH+]1CCC(NC(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000433555217 405958763 /nfs/dbraw/zinc/95/87/63/405958763.db2.gz NWTABTDVWLFOHA-KRWDZBQOSA-N 1 3 322.497 2.177 20 0 DEADHO CN1CCN(CC[NH2+]CC(C)(C)Oc2ccccc2)CC1(C)C ZINC000639136491 405915200 /nfs/dbraw/zinc/91/52/00/405915200.db2.gz MEJBNFYDVJKQPZ-UHFFFAOYSA-N 1 3 319.493 2.460 20 0 DEADHO C[C@@H]1C[C@H](N(C)C(=O)C2C[NH+](C3CCCCC3)C2)CCN1C ZINC000457606953 405918670 /nfs/dbraw/zinc/91/86/70/405918670.db2.gz RPJMXDGNBFFKPS-RHSMWYFYSA-N 1 3 307.482 2.192 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633943037 405923237 /nfs/dbraw/zinc/92/32/37/405923237.db2.gz YZOVZAQCFXJTLN-INIZCTEOSA-N 1 3 307.482 2.338 20 0 DEADHO CC1(C)C(=O)N[C@@H]1C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000562445144 406011804 /nfs/dbraw/zinc/01/18/04/406011804.db2.gz YXMBSZAFNYLLLT-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO COCC[C@@]1(C(=O)Nc2cc(C)cc(CN(C)C)c2)CC[NH2+]C1 ZINC000423794670 405972025 /nfs/dbraw/zinc/97/20/25/405972025.db2.gz YDGFGIRUYOWQSR-SFHVURJKSA-N 1 3 319.449 2.011 20 0 DEADHO O[C@H]1CCC[C@@H]1[NH+]1CCC(NCc2ccc3[nH]cnc3c2)CC1 ZINC000531759836 406002257 /nfs/dbraw/zinc/00/22/57/406002257.db2.gz STWVBRHIYBUTSI-ROUUACIJSA-N 1 3 314.433 2.030 20 0 DEADHO O[C@H]1CCC[C@@H]1[NH+]1CCC(NCc2ccc3nc[nH]c3c2)CC1 ZINC000531759836 406002264 /nfs/dbraw/zinc/00/22/64/406002264.db2.gz STWVBRHIYBUTSI-ROUUACIJSA-N 1 3 314.433 2.030 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000462002254 406082850 /nfs/dbraw/zinc/08/28/50/406082850.db2.gz LDSWWWZJIJKEHL-OAGGEKHMSA-N 1 3 312.502 2.088 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000462002254 406082855 /nfs/dbraw/zinc/08/28/55/406082855.db2.gz LDSWWWZJIJKEHL-OAGGEKHMSA-N 1 3 312.502 2.088 20 0 DEADHO C[NH+]1CCC(CNC(=O)NC[C@@H]2CCN2C2CCCCC2)CC1 ZINC000636734299 406067172 /nfs/dbraw/zinc/06/71/72/406067172.db2.gz VLNCCHPAXJCKKV-KRWDZBQOSA-N 1 3 322.497 2.034 20 0 DEADHO CCN1CCCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000516662344 406103274 /nfs/dbraw/zinc/10/32/74/406103274.db2.gz ZWVFSSPUWGRMME-GOSISDBHSA-N 1 3 315.461 2.063 20 0 DEADHO CCN1CCCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000516662344 406103276 /nfs/dbraw/zinc/10/32/76/406103276.db2.gz ZWVFSSPUWGRMME-GOSISDBHSA-N 1 3 315.461 2.063 20 0 DEADHO CC[C@@]1(O)CCC[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000639384207 406075364 /nfs/dbraw/zinc/07/53/64/406075364.db2.gz DHBUCLLPOSRYGG-GOSISDBHSA-N 1 3 306.450 2.364 20 0 DEADHO CC[C@@]1(O)CCC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000639384207 406075369 /nfs/dbraw/zinc/07/53/69/406075369.db2.gz DHBUCLLPOSRYGG-GOSISDBHSA-N 1 3 306.450 2.364 20 0 DEADHO C[C@H]1CCCC[C@@H]1NC(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639759727 406238418 /nfs/dbraw/zinc/23/84/18/406238418.db2.gz HTSDOQQZDIEJMV-HOTGVXAUSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H](C(=O)N1CCCCCC1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639760380 406239821 /nfs/dbraw/zinc/23/98/21/406239821.db2.gz WIHCNPCHXQNIIH-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO C[NH+](C)CCOc1cnccc1CNC[C@@H](O)CC1CCCC1 ZINC000520220785 406275854 /nfs/dbraw/zinc/27/58/54/406275854.db2.gz PZXDBGADUWTCMN-KRWDZBQOSA-N 1 3 321.465 2.053 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC(C)([NH3+])CC1 ZINC000632914336 406318003 /nfs/dbraw/zinc/31/80/03/406318003.db2.gz OCYVHIHAWFZVDY-HNNXBMFYSA-N 1 3 310.486 2.020 20 0 DEADHO CC[C@H]1CN(C(=O)N[C@@H](CC(C)C)CN2CCCC2)CC[C@H]1[NH3+] ZINC000632914292 406318181 /nfs/dbraw/zinc/31/81/81/406318181.db2.gz GMHRYGJZQPAZKC-YESZJQIVSA-N 1 3 324.513 2.266 20 0 DEADHO [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000632869848 406299998 /nfs/dbraw/zinc/29/99/98/406299998.db2.gz QQHCUFPVRHRVGF-KSSFIOAISA-N 1 3 321.424 2.385 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)CC1 ZINC000640103041 406394313 /nfs/dbraw/zinc/39/43/13/406394313.db2.gz VRTRUBKAZPWHGB-QRVBRYPASA-N 1 3 323.525 2.028 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)CC1 ZINC000640103041 406394318 /nfs/dbraw/zinc/39/43/18/406394318.db2.gz VRTRUBKAZPWHGB-QRVBRYPASA-N 1 3 323.525 2.028 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](C3CCC3)CC2)C1 ZINC000635002758 406395899 /nfs/dbraw/zinc/39/58/99/406395899.db2.gz YUZDVKOCAUKZOU-RDJZCZTQSA-N 1 3 307.482 2.086 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H](C3CCC3)CC2)C1 ZINC000635002758 406395903 /nfs/dbraw/zinc/39/59/03/406395903.db2.gz YUZDVKOCAUKZOU-RDJZCZTQSA-N 1 3 307.482 2.086 20 0 DEADHO C[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)c1ccc(S(C)(=O)=O)cc1 ZINC000635014188 406401403 /nfs/dbraw/zinc/40/14/03/406401403.db2.gz YWIOHPVVEXLOBO-SNPRPXQTSA-N 1 3 310.463 2.053 20 0 DEADHO C[C@H](C[NH2+][C@H]1CCC[C@H](N)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000635014188 406401406 /nfs/dbraw/zinc/40/14/06/406401406.db2.gz YWIOHPVVEXLOBO-SNPRPXQTSA-N 1 3 310.463 2.053 20 0 DEADHO C[NH+](C)CC1(CNC[C@@H](O)COCc2ccccc2)CCCC1 ZINC000570676463 406424679 /nfs/dbraw/zinc/42/46/79/406424679.db2.gz QPJMVNZYAYPYKM-GOSISDBHSA-N 1 3 320.477 2.276 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)[C@@H]1CC[NH2+][C@@H]1C)c1ccccc1 ZINC000521867624 406370816 /nfs/dbraw/zinc/37/08/16/406370816.db2.gz MNBCJWSFWUVVAM-SQWLQELKSA-N 1 3 303.450 2.230 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)CCCC[NH+](C)C)CN1Cc1ccccc1 ZINC000571191650 406489544 /nfs/dbraw/zinc/48/95/44/406489544.db2.gz SSXAGGUFRHHESV-AEFFLSMTSA-N 1 3 317.477 2.498 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCN1C1CCCC1 ZINC000635125643 406432665 /nfs/dbraw/zinc/43/26/65/406432665.db2.gz NMBYAENOYRMVKZ-DOTOQJQBSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCN1C1CCCC1 ZINC000635125643 406432669 /nfs/dbraw/zinc/43/26/69/406432669.db2.gz NMBYAENOYRMVKZ-DOTOQJQBSA-N 1 3 307.482 2.384 20 0 DEADHO O=C(NCCC[NH+]1CCCCCC1)[C@H]1CCN1C1CCCC1 ZINC000635137999 406437205 /nfs/dbraw/zinc/43/72/05/406437205.db2.gz GIIYYBGJGGKMIZ-QGZVFWFLSA-N 1 3 307.482 2.386 20 0 DEADHO N[C@@H](CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000637831305 406437661 /nfs/dbraw/zinc/43/76/61/406437661.db2.gz BZRWAGKUFSEOMT-MOPGFXCFSA-N 1 3 323.440 2.325 20 0 DEADHO N[C@@H](CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000637831305 406437668 /nfs/dbraw/zinc/43/76/68/406437668.db2.gz BZRWAGKUFSEOMT-MOPGFXCFSA-N 1 3 323.440 2.325 20 0 DEADHO CC1(C)CNCC[C@H]1[NH2+]CCc1nc(-c2ccccc2)no1 ZINC000571509149 406528652 /nfs/dbraw/zinc/52/86/52/406528652.db2.gz YUYYAJOBOZBVNE-CQSZACIVSA-N 1 3 300.406 2.257 20 0 DEADHO CC(C)CC[C@H](N)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000638063592 406551614 /nfs/dbraw/zinc/55/16/14/406551614.db2.gz WEVOXUIMCCKCIZ-INIZCTEOSA-N 1 3 307.438 2.329 20 0 DEADHO CO[C@@]1(CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCOC1 ZINC000638067728 406552998 /nfs/dbraw/zinc/55/29/98/406552998.db2.gz UIZMKETYOZTPCZ-RBUKOAKNSA-N 1 3 318.461 2.246 20 0 DEADHO CO[C@@]1(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCOC1 ZINC000638067728 406553002 /nfs/dbraw/zinc/55/30/02/406553002.db2.gz UIZMKETYOZTPCZ-RBUKOAKNSA-N 1 3 318.461 2.246 20 0 DEADHO CC[NH2+][C@H](C)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000638085102 406561101 /nfs/dbraw/zinc/56/11/01/406561101.db2.gz JMEGSLUSYGTNAV-WBVHZDCISA-N 1 3 303.450 2.246 20 0 DEADHO CC[NH2+][C@@H](C)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000638084361 406561447 /nfs/dbraw/zinc/56/14/47/406561447.db2.gz KEGOPOQCYQOOFG-UONOGXRCSA-N 1 3 309.479 2.074 20 0 DEADHO CO[C@](C)(CN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)C1CC1 ZINC000637984676 406509222 /nfs/dbraw/zinc/50/92/22/406509222.db2.gz JWIZVMALRSWUQM-ZHALLVOQSA-N 1 3 323.525 2.292 20 0 DEADHO CN(CC(=O)N(CCC[NH3+])Cc1ccccc1)CC(C)(C)C ZINC000638212272 406624823 /nfs/dbraw/zinc/62/48/23/406624823.db2.gz WJEYATABLZMSRW-UHFFFAOYSA-N 1 3 305.466 2.342 20 0 DEADHO CCO[C@H]1C[C@](CO)(NC2CC[NH+](CC3CC3)CC2)C1(C)C ZINC000527113648 406584181 /nfs/dbraw/zinc/58/41/81/406584181.db2.gz WCPMWPHTELAXOU-FUHWJXTLSA-N 1 3 310.482 2.017 20 0 DEADHO C[C@@H](C[NH+](C)C)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000554219533 406786901 /nfs/dbraw/zinc/78/69/01/406786901.db2.gz VZBZBGCAGTXKLY-UONOGXRCSA-N 1 3 324.494 2.134 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000646181049 406809857 /nfs/dbraw/zinc/80/98/57/406809857.db2.gz RGADBJPYFBYRBX-ZMSDIMECSA-N 1 3 318.465 2.249 20 0 DEADHO O=C(C[NH2+]C1CC1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000646408948 406858927 /nfs/dbraw/zinc/85/89/27/406858927.db2.gz UUVHLUZZIFCXHZ-QGZVFWFLSA-N 1 3 301.434 2.082 20 0 DEADHO O=C(C[C@H]1CC[NH2+]C1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000646410134 406859759 /nfs/dbraw/zinc/85/97/59/406859759.db2.gz SYJWYMIMDXDVDO-SJLPKXTDSA-N 1 3 315.461 2.329 20 0 DEADHO CC1(C)CN[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000646427231 406863197 /nfs/dbraw/zinc/86/31/97/406863197.db2.gz UZADZIBMGXGUCE-INIZCTEOSA-N 1 3 301.434 2.261 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)CC[C@H]([NH3+])c2ccccc2)CN1C1CC1 ZINC000646530051 406878174 /nfs/dbraw/zinc/87/81/74/406878174.db2.gz NJIIXZIFXVAHAL-UNEWFSDZSA-N 1 3 301.434 2.208 20 0 DEADHO CCc1nc(C)c(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)o1 ZINC000641798724 406894714 /nfs/dbraw/zinc/89/47/14/406894714.db2.gz HNNPYXRVLNNUKQ-RHSMWYFYSA-N 1 3 307.438 2.264 20 0 DEADHO CSc1ccccc1NC(=O)CC[NH2+][C@@H]1C[C@H](N)C1(C)C ZINC000641803114 406896288 /nfs/dbraw/zinc/89/62/88/406896288.db2.gz DVTIOWJJCQXLNC-UONOGXRCSA-N 1 3 307.463 2.453 20 0 DEADHO CN1C[C@@H](C[NH2+]Cc2cnc3cnccn23)[C@H](c2ccccc2)C1 ZINC000647248819 406977967 /nfs/dbraw/zinc/97/79/67/406977967.db2.gz ILGLPWJKZSPKCX-AEFFLSMTSA-N 1 3 321.428 2.164 20 0 DEADHO CC(C)OC[C@H](O)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000642713088 406933422 /nfs/dbraw/zinc/93/34/22/406933422.db2.gz IQLPOJXONBNCLI-GOSISDBHSA-N 1 3 312.498 2.360 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000643537696 407012166 /nfs/dbraw/zinc/01/21/66/407012166.db2.gz OJOYHFCUIASPMH-LEUOFYLZSA-N 1 3 305.441 2.187 20 0 DEADHO COCCc1nc(C)c([C@H](C)N[C@@H]2CC23CC[NH2+]CC3)s1 ZINC000643536362 407012577 /nfs/dbraw/zinc/01/25/77/407012577.db2.gz TXICQPBQIQUGAW-WCQYABFASA-N 1 3 309.479 2.433 20 0 DEADHO [NH3+]CC[C@H]1CCCCN1Cc1ccc(C(=O)NC2CC2)cc1 ZINC000647541413 407016905 /nfs/dbraw/zinc/01/69/05/407016905.db2.gz XJCMIMONSAFOMA-QGZVFWFLSA-N 1 3 301.434 2.282 20 0 DEADHO CC[C@H]([NH2+][C@H](C)C1CCN(C)CC1)C(=O)NCc1cccs1 ZINC000647333241 406987453 /nfs/dbraw/zinc/98/74/53/406987453.db2.gz OMPPWWVWIXEZOT-CJNGLKHVSA-N 1 3 323.506 2.463 20 0 DEADHO C[C@H](C(=O)NC1CCCC1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976432 407091524 /nfs/dbraw/zinc/09/15/24/407091524.db2.gz OKCYELKJXISNOW-OWCLPIDISA-N 1 3 307.482 2.145 20 0 DEADHO C[C@@H](C(=O)N1CCC(C)CC1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976513 407091778 /nfs/dbraw/zinc/09/17/78/407091778.db2.gz POYCGJNVAHHQIW-KSZLIROESA-N 1 3 321.509 2.345 20 0 DEADHO O=C(CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)NCc1ccccc1 ZINC000647975308 407091830 /nfs/dbraw/zinc/09/18/30/407091830.db2.gz VQFDOBCERULKGG-ZWKOTPCHSA-N 1 3 315.461 2.014 20 0 DEADHO CNC(=O)c1cccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647977382 407092389 /nfs/dbraw/zinc/09/23/89/407092389.db2.gz ANYHHPCAZPANKZ-MSOLQXFVSA-N 1 3 315.461 2.258 20 0 DEADHO Cc1cc(CN)cc(NC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000644191600 407102813 /nfs/dbraw/zinc/10/28/13/407102813.db2.gz NDTBAYMIVKRIRZ-HNNXBMFYSA-N 1 3 304.438 2.448 20 0 DEADHO CC[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])C(=O)NCc1cccs1 ZINC000647802821 407053517 /nfs/dbraw/zinc/05/35/17/407053517.db2.gz VAECKSFAZUCLKG-VHDGCEQUSA-N 1 3 309.479 2.250 20 0 DEADHO C[C@H](c1ccccc1)N(CCCC1CC[NH2+]CC1)CC(N)=O ZINC000647890071 407068909 /nfs/dbraw/zinc/06/89/09/407068909.db2.gz LTXTUZXYYILMQC-OAHLLOKOSA-N 1 3 303.450 2.315 20 0 DEADHO CCOc1ccccc1NC(=O)CCN1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000647934434 407078818 /nfs/dbraw/zinc/07/88/18/407078818.db2.gz FWWAETLHUGAQFF-CABCVRRESA-N 1 3 319.449 2.473 20 0 DEADHO CN(CCC[NH3+])C(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000644066122 407080274 /nfs/dbraw/zinc/08/02/74/407080274.db2.gz HJHYEPXXXXMAMW-UHFFFAOYSA-N 1 3 303.450 2.096 20 0 DEADHO COc1ccccc1[C@H](N)CNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000644092516 407085390 /nfs/dbraw/zinc/08/53/90/407085390.db2.gz ONLAIRHXEUJSJR-MLGOLLRUSA-N 1 3 313.401 2.145 20 0 DEADHO COc1ccccc1[C@@H](N)CNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000644092515 407085801 /nfs/dbraw/zinc/08/58/01/407085801.db2.gz ONLAIRHXEUJSJR-LRDDRELGSA-N 1 3 313.401 2.145 20 0 DEADHO COc1ccccc1[C@H](N)CNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000644092514 407085938 /nfs/dbraw/zinc/08/59/38/407085938.db2.gz ONLAIRHXEUJSJR-BLLLJJGKSA-N 1 3 313.401 2.145 20 0 DEADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)COc2ccc(C)cc2C)C1 ZINC000644530202 407137261 /nfs/dbraw/zinc/13/72/61/407137261.db2.gz WIOBJUFEUDTHPT-MSOLQXFVSA-N 1 3 320.477 2.365 20 0 DEADHO CCC[N@@H+]1CC[C@H](CNCCC(=O)Nc2ccccc2F)C1 ZINC000644530156 407137306 /nfs/dbraw/zinc/13/73/06/407137306.db2.gz SLZGRDPJVUKTGY-CQSZACIVSA-N 1 3 307.413 2.476 20 0 DEADHO CCC[N@H+]1CC[C@H](CNCCC(=O)Nc2ccccc2F)C1 ZINC000644530156 407137307 /nfs/dbraw/zinc/13/73/07/407137307.db2.gz SLZGRDPJVUKTGY-CQSZACIVSA-N 1 3 307.413 2.476 20 0 DEADHO CCCN1CC[C@H](C[NH2+]CCC(=O)Nc2ccccc2F)C1 ZINC000644530156 407137309 /nfs/dbraw/zinc/13/73/09/407137309.db2.gz SLZGRDPJVUKTGY-CQSZACIVSA-N 1 3 307.413 2.476 20 0 DEADHO Cc1ccccc1CN1CCCN(C(=O)CCCC[NH3+])CC1 ZINC000645473288 407283307 /nfs/dbraw/zinc/28/33/07/407283307.db2.gz YNMRYXJQQPXMPN-UHFFFAOYSA-N 1 3 303.450 2.158 20 0 DEADHO CCCN(C(=O)NCCCCC[NH+]1CCCC1)[C@H]1CCN(C)C1 ZINC000645517677 407288220 /nfs/dbraw/zinc/28/82/20/407288220.db2.gz JJVMSAAWSNBDMU-KRWDZBQOSA-N 1 3 324.513 2.378 20 0 DEADHO CCCN(C(=O)NC1CC[NH+](C2CCC2)CC1)[C@@H]1CCN(C)C1 ZINC000645532299 407290741 /nfs/dbraw/zinc/29/07/41/407290741.db2.gz JIJCKJMUGGTKPG-QGZVFWFLSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000571203644 292533733 /nfs/dbraw/zinc/53/37/33/292533733.db2.gz DPDFHVNMJAHTKY-NILFDRSVSA-N 1 3 309.841 2.057 20 0 DEADHO C[C@H](CNC(=O)NC[C@@H](C)N1CCC(C)CC1)C[NH+]1CCCC1 ZINC000129003718 196011376 /nfs/dbraw/zinc/01/13/76/196011376.db2.gz GKMNLAOQRTUBEN-IAGOWNOFSA-N 1 3 324.513 2.138 20 0 DEADHO CCN1CC[C@@H]([NH2+]Cc2cccc(CS(C)(=O)=O)c2)[C@H](C)C1 ZINC000131584171 196181753 /nfs/dbraw/zinc/18/17/53/196181753.db2.gz DZUPEIAXDZKYER-RHSMWYFYSA-N 1 3 324.490 2.051 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000246525154 287265623 /nfs/dbraw/zinc/26/56/23/287265623.db2.gz WBKCJKMBYYMRGW-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000246525154 287265625 /nfs/dbraw/zinc/26/56/25/287265625.db2.gz WBKCJKMBYYMRGW-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO NC(=O)C1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411146047 227346224 /nfs/dbraw/zinc/34/62/24/227346224.db2.gz DQOGSPBFWLPJLT-UHFFFAOYSA-N 1 3 315.461 2.370 20 0 DEADHO CN(C)Cc1cccc(CNC(=O)N[C@H](C[NH3+])C2CCCC2)c1 ZINC000417068602 228961953 /nfs/dbraw/zinc/96/19/53/228961953.db2.gz NMMYYXXKBYCMMX-QGZVFWFLSA-N 1 3 318.465 2.065 20 0 DEADHO CN(C)C(=O)c1ccccc1C[N@H+](C)C[C@@H]1CCCN(C)C1 ZINC000417724111 229079064 /nfs/dbraw/zinc/07/90/64/229079064.db2.gz YDACUGXKUUUREB-OAHLLOKOSA-N 1 3 303.450 2.162 20 0 DEADHO CN(C)C(=O)c1ccccc1C[N@@H+](C)C[C@@H]1CCCN(C)C1 ZINC000417724111 229079066 /nfs/dbraw/zinc/07/90/66/229079066.db2.gz YDACUGXKUUUREB-OAHLLOKOSA-N 1 3 303.450 2.162 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000417883488 229134293 /nfs/dbraw/zinc/13/42/93/229134293.db2.gz WNXSEEMZKJRGDL-VYDXJSESSA-N 1 3 318.465 2.076 20 0 DEADHO C[C@@H](NC(=O)N1CCN(C2CCCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000418346130 229318071 /nfs/dbraw/zinc/31/80/71/229318071.db2.gz PNFSCKXOBVXZDT-HZPDHXFCSA-N 1 3 322.497 2.034 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccccc1N1CCOCC1 ZINC000422696144 230166951 /nfs/dbraw/zinc/16/69/51/230166951.db2.gz QVENNSDEJJOTNH-WBVHZDCISA-N 1 3 303.450 2.130 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H](c1ccccc1)N1CCOCC1 ZINC000422811246 230220721 /nfs/dbraw/zinc/22/07/21/230220721.db2.gz VQQXZPDIULBOMX-GBESFXJTSA-N 1 3 317.477 2.167 20 0 DEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](c1ccccc1)N1CCOCC1 ZINC000422811246 230220726 /nfs/dbraw/zinc/22/07/26/230220726.db2.gz VQQXZPDIULBOMX-GBESFXJTSA-N 1 3 317.477 2.167 20 0 DEADHO CN(C)CCOc1ccccc1CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422833592 230231734 /nfs/dbraw/zinc/23/17/34/230231734.db2.gz YZKPIIZJEPCTBQ-SJORKVTESA-N 1 3 305.466 2.377 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1cc(Br)cs1 ZINC000422902708 230269545 /nfs/dbraw/zinc/26/95/45/230269545.db2.gz VBYLFTFANJYBTF-UWJYBYFXSA-N 1 3 319.268 2.353 20 0 DEADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCc1ccc2c(c1)OCCO2 ZINC000422927572 230280243 /nfs/dbraw/zinc/28/02/43/230280243.db2.gz GTXSFKDWBYWXRJ-HZPDHXFCSA-N 1 3 304.434 2.498 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000422984830 230304916 /nfs/dbraw/zinc/30/49/16/230304916.db2.gz BMDFGMKVOYOMRM-RRQGHBQHSA-N 1 3 306.425 2.490 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC1(Cc2ccc(F)cc2)CC1 ZINC000422984830 230304920 /nfs/dbraw/zinc/30/49/20/230304920.db2.gz BMDFGMKVOYOMRM-RRQGHBQHSA-N 1 3 306.425 2.490 20 0 DEADHO [NH3+][C@@H]1CCC[C@H]1NC[C@H]1CSCCN1Cc1ccccc1 ZINC000423076132 230340898 /nfs/dbraw/zinc/34/08/98/230340898.db2.gz QLTGFIOGCSVHFR-GVDBMIGSSA-N 1 3 305.491 2.073 20 0 DEADHO C[C@H](N)C[C@H](C)[NH2+]CCCCn1cc(Br)cn1 ZINC000423082551 230344374 /nfs/dbraw/zinc/34/43/74/230344374.db2.gz DJIMZBWDCFIZQU-QWRGUYRKSA-N 1 3 303.248 2.141 20 0 DEADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000423136419 230360307 /nfs/dbraw/zinc/36/03/07/230360307.db2.gz ZALNZXIGCCQGDS-AAEUAGOBSA-N 1 3 315.259 2.013 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000380946999 424908621 /nfs/dbraw/zinc/90/86/21/424908621.db2.gz PHERICSAWQQECX-NJAFHUGGSA-N 1 3 317.477 2.388 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000380946999 424908624 /nfs/dbraw/zinc/90/86/24/424908624.db2.gz PHERICSAWQQECX-NJAFHUGGSA-N 1 3 317.477 2.388 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407304170 424931313 /nfs/dbraw/zinc/93/13/13/424931313.db2.gz DGZXYXITMOXFHN-OLMNPRSZSA-N 1 3 315.461 2.154 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)N(C)C ZINC000649102140 424954428 /nfs/dbraw/zinc/95/44/28/424954428.db2.gz VMUHAYOLUZNOHO-SQNIBIBYSA-N 1 3 317.477 2.034 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)N(C)C ZINC000649102140 424954430 /nfs/dbraw/zinc/95/44/30/424954430.db2.gz VMUHAYOLUZNOHO-SQNIBIBYSA-N 1 3 317.477 2.034 20 0 DEADHO CC[C@@H](C)N[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccco1 ZINC000649220133 424970453 /nfs/dbraw/zinc/97/04/53/424970453.db2.gz CBFYTBPPKVTMTB-KBUPBQIOSA-N 1 3 307.438 2.165 20 0 DEADHO CC[C@@H](C)N[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccco1 ZINC000649220133 424970456 /nfs/dbraw/zinc/97/04/56/424970456.db2.gz CBFYTBPPKVTMTB-KBUPBQIOSA-N 1 3 307.438 2.165 20 0 DEADHO C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCCC[C@@H]1C ZINC000649293039 424986636 /nfs/dbraw/zinc/98/66/36/424986636.db2.gz XRJSNCQMWZCIIX-NXNVCVFFSA-N 1 3 307.482 2.001 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CNCc3ccccc32)[C@@H](C)C1 ZINC000649340708 424996483 /nfs/dbraw/zinc/99/64/83/424996483.db2.gz KSVXQSOXSXDLAV-QGTPRVQTSA-N 1 3 315.461 2.062 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CNCc3ccccc32)[C@@H](C)C1 ZINC000649340708 424996486 /nfs/dbraw/zinc/99/64/86/424996486.db2.gz KSVXQSOXSXDLAV-QGTPRVQTSA-N 1 3 315.461 2.062 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000649363828 425001385 /nfs/dbraw/zinc/00/13/85/425001385.db2.gz PUKAXPGBYODJFN-BRWVUGGUSA-N 1 3 307.482 2.099 20 0 DEADHO CCOc1cccc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)n1 ZINC000650724091 425042646 /nfs/dbraw/zinc/04/26/46/425042646.db2.gz YEVHXHJSVQYTQK-UAGQMJEPSA-N 1 3 319.449 2.341 20 0 DEADHO C[NH2+]Cc1ccccc1CNCc1cnc2nc(C)cc(C)n12 ZINC000650719666 425042883 /nfs/dbraw/zinc/04/28/83/425042883.db2.gz YOKSPNKVZIAQPB-UHFFFAOYSA-N 1 3 309.417 2.355 20 0 DEADHO CCO[C@@H]1C[C@H](NCc2ccc(C[NH3+])cc2F)C12CCOCC2 ZINC000650754529 425048139 /nfs/dbraw/zinc/04/81/39/425048139.db2.gz LCRDOOBGXXZIHM-DLBZAZTESA-N 1 3 322.424 2.348 20 0 DEADHO Cc1ccc(S(=O)(=O)C[C@@H](C)NCCC2CC[NH2+]CC2)cc1 ZINC000650763284 425049402 /nfs/dbraw/zinc/04/94/02/425049402.db2.gz WUAISTPLZDTQDW-OAHLLOKOSA-N 1 3 324.490 2.137 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000651192821 425114132 /nfs/dbraw/zinc/11/41/32/425114132.db2.gz CAXNGJMHNAWIOT-HZPDHXFCSA-N 1 3 312.502 2.088 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000651192821 425114134 /nfs/dbraw/zinc/11/41/34/425114134.db2.gz CAXNGJMHNAWIOT-HZPDHXFCSA-N 1 3 312.502 2.088 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000651194538 425114815 /nfs/dbraw/zinc/11/48/15/425114815.db2.gz IWKZPUZTPANVKY-SJORKVTESA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000651194538 425114816 /nfs/dbraw/zinc/11/48/16/425114816.db2.gz IWKZPUZTPANVKY-SJORKVTESA-N 1 3 324.513 2.090 20 0 DEADHO Cn1c(=O)ccc2c1CCC[C@@H]2NC1CC[NH+](CC2CC2)CC1 ZINC000652075113 425180017 /nfs/dbraw/zinc/18/00/17/425180017.db2.gz ZWQURDYRJSTAMP-KRWDZBQOSA-N 1 3 315.461 2.227 20 0 DEADHO Cc1nccn1CCCCN1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660696550 425208976 /nfs/dbraw/zinc/20/89/76/425208976.db2.gz MHFBOGDZDXZOMX-UHFFFAOYSA-N 1 3 322.497 2.044 20 0 DEADHO CCN(C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)[C@H]1CCN(C)C1 ZINC000663626977 425199571 /nfs/dbraw/zinc/19/95/71/425199571.db2.gz ARYDWQAGQGBDCT-DLBZAZTESA-N 1 3 324.513 2.233 20 0 DEADHO O=C(NCCC1CC[NH2+]CC1)N1CCC[C@H]1CN1CCCCC1 ZINC000652312793 425237895 /nfs/dbraw/zinc/23/78/95/425237895.db2.gz AJDYXMCLPVSKKT-KRWDZBQOSA-N 1 3 322.497 2.036 20 0 DEADHO CC(C)C[C@@H](CN(C)C)NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000660828477 425248288 /nfs/dbraw/zinc/24/82/88/425248288.db2.gz YPHUHORAAHOWGH-CABCVRRESA-N 1 3 312.502 2.135 20 0 DEADHO CC(C)C[C@@H](CN(C)C)NC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000660828477 425248291 /nfs/dbraw/zinc/24/82/91/425248291.db2.gz YPHUHORAAHOWGH-CABCVRRESA-N 1 3 312.502 2.135 20 0 DEADHO CC[N@H+](CCCNC(=O)N1CCCNCC1)C1CCCCC1 ZINC000652227912 425218629 /nfs/dbraw/zinc/21/86/29/425218629.db2.gz QWPZSRACUJLHGZ-UHFFFAOYSA-N 1 3 310.486 2.036 20 0 DEADHO CC[N@@H+](CCCNC(=O)N1CCCNCC1)C1CCCCC1 ZINC000652227912 425218633 /nfs/dbraw/zinc/21/86/33/425218633.db2.gz QWPZSRACUJLHGZ-UHFFFAOYSA-N 1 3 310.486 2.036 20 0 DEADHO CC[NH+]1CCC(CCNCc2ccnn2-c2ccncc2)CC1 ZINC000657376797 425319870 /nfs/dbraw/zinc/31/98/70/425319870.db2.gz OIGUBWMBMCGSQV-UHFFFAOYSA-N 1 3 313.449 2.479 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000664178974 425323913 /nfs/dbraw/zinc/32/39/13/425323913.db2.gz NQZANOXLTSPMGY-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000664178974 425323917 /nfs/dbraw/zinc/32/39/17/425323917.db2.gz NQZANOXLTSPMGY-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654374556 425335806 /nfs/dbraw/zinc/33/58/06/425335806.db2.gz JMXFKALBLKBGLU-BRWVUGGUSA-N 1 3 322.497 2.177 20 0 DEADHO Cn1ncc(C(F)(F)F)c1CNCC1CC[NH+](C2CC2)CC1 ZINC000657449562 425336069 /nfs/dbraw/zinc/33/60/69/425336069.db2.gz AVWIYKRWQJSIAI-UHFFFAOYSA-N 1 3 316.371 2.403 20 0 DEADHO c1nn2c(c1C[NH2+]C[C@@H]1CCN(Cc3ccccc3)C1)CCC2 ZINC000657453287 425337751 /nfs/dbraw/zinc/33/77/51/425337751.db2.gz UOOOLBMGAYRXBJ-KRWDZBQOSA-N 1 3 310.445 2.441 20 0 DEADHO CCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1CCN(CC)C1 ZINC000664234781 425338632 /nfs/dbraw/zinc/33/86/32/425338632.db2.gz SWVNFNLXQKDIKK-NPYXIHBLSA-N 1 3 322.497 2.127 20 0 DEADHO CCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1CCN(CC)C1 ZINC000664234781 425338635 /nfs/dbraw/zinc/33/86/35/425338635.db2.gz SWVNFNLXQKDIKK-NPYXIHBLSA-N 1 3 322.497 2.127 20 0 DEADHO C[C@H](CNC(=O)NCC[C@@H](C)[NH+](C)C)N(C)Cc1ccccc1 ZINC000664069206 425299886 /nfs/dbraw/zinc/29/98/86/425299886.db2.gz ARKZTKSSKQVMIC-HZPDHXFCSA-N 1 3 320.481 2.146 20 0 DEADHO CN(C)CCC[N@H+](C)CCNc1ncccc1Br ZINC000664247817 425345540 /nfs/dbraw/zinc/34/55/40/425345540.db2.gz IWCIVNOTSBMOHB-UHFFFAOYSA-N 1 3 315.259 2.140 20 0 DEADHO CN(C)CCC[N@@H+](C)CCNc1ncccc1Br ZINC000664247817 425345543 /nfs/dbraw/zinc/34/55/43/425345543.db2.gz IWCIVNOTSBMOHB-UHFFFAOYSA-N 1 3 315.259 2.140 20 0 DEADHO CN(C)CCC[N@H+](C)CCNc1cc(C(F)(F)F)ccn1 ZINC000664248010 425345602 /nfs/dbraw/zinc/34/56/02/425345602.db2.gz MDHVHXBUEIZMAZ-UHFFFAOYSA-N 1 3 304.360 2.396 20 0 DEADHO CN(C)CCC[N@@H+](C)CCNc1cc(C(F)(F)F)ccn1 ZINC000664248010 425345605 /nfs/dbraw/zinc/34/56/05/425345605.db2.gz MDHVHXBUEIZMAZ-UHFFFAOYSA-N 1 3 304.360 2.396 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000661405828 425399388 /nfs/dbraw/zinc/39/93/88/425399388.db2.gz HASKCUCWBAQOKE-ZIAGYGMSSA-N 1 3 310.486 2.031 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000661405828 425399393 /nfs/dbraw/zinc/39/93/93/425399393.db2.gz HASKCUCWBAQOKE-ZIAGYGMSSA-N 1 3 310.486 2.031 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000661406168 425399797 /nfs/dbraw/zinc/39/97/97/425399797.db2.gz IPIMXBSOSJZEQB-ZIAGYGMSSA-N 1 3 310.486 2.031 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661406168 425399802 /nfs/dbraw/zinc/39/98/02/425399802.db2.gz IPIMXBSOSJZEQB-ZIAGYGMSSA-N 1 3 310.486 2.031 20 0 DEADHO C[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)C(C)(C)C(F)F ZINC000657881622 425412020 /nfs/dbraw/zinc/41/20/20/425412020.db2.gz XVOLORRWWNVBFM-CHWSQXEVSA-N 1 3 303.441 2.424 20 0 DEADHO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)CCO1 ZINC000657596142 425373004 /nfs/dbraw/zinc/37/30/04/425373004.db2.gz LHORJPPBJAVRTH-CEXWTWQISA-N 1 3 318.461 2.300 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)C[C@H](C)O1 ZINC000657598255 425373143 /nfs/dbraw/zinc/37/31/43/425373143.db2.gz ZMTPGXBXUQALEX-WTLGNFPFSA-N 1 3 318.461 2.299 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654562866 425382147 /nfs/dbraw/zinc/38/21/47/425382147.db2.gz QPWPAXUDACFFLM-YESZJQIVSA-N 1 3 322.497 2.177 20 0 DEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654562866 425382150 /nfs/dbraw/zinc/38/21/50/425382150.db2.gz QPWPAXUDACFFLM-YESZJQIVSA-N 1 3 322.497 2.177 20 0 DEADHO CCOC1CCC([NH2+]Cc2ccnc(OCCN(C)C)c2)CC1 ZINC000657938324 425419616 /nfs/dbraw/zinc/41/96/16/425419616.db2.gz YFWVAEALPOSOBG-UHFFFAOYSA-N 1 3 321.465 2.459 20 0 DEADHO COC1([C@H](C)[NH2+]Cc2ccccc2CN2CC[C@H](O)C2)CCC1 ZINC000657969122 425422782 /nfs/dbraw/zinc/42/27/82/425422782.db2.gz IUNWBDYTEKQHMD-YJBOKZPZSA-N 1 3 318.461 2.300 20 0 DEADHO C[NH+]1CCC(C)(CNC(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000654731873 425425299 /nfs/dbraw/zinc/42/52/99/425425299.db2.gz OHQGXIZDJUBNHF-HOTGVXAUSA-N 1 3 322.497 2.034 20 0 DEADHO CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000654729516 425426738 /nfs/dbraw/zinc/42/67/38/425426738.db2.gz UHPRKRCNVZFLIQ-SJORKVTESA-N 1 3 322.497 2.175 20 0 DEADHO CCn1ccnc1[C@H](C)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000658070490 425433885 /nfs/dbraw/zinc/43/38/85/425433885.db2.gz PITMUKOBFNNVNB-HNNXBMFYSA-N 1 3 320.481 2.445 20 0 DEADHO C[C@@H]([NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1)C1CCOCC1 ZINC000658138352 425444127 /nfs/dbraw/zinc/44/41/27/425444127.db2.gz JHDMTTZYJGJVLV-DNVCBOLYSA-N 1 3 318.461 2.158 20 0 DEADHO C1C[C@H](N2CCC([NH2+][C@H]3CCN(C4CCCCC4)C3)CC2)CO1 ZINC000658229775 425457866 /nfs/dbraw/zinc/45/78/66/425457866.db2.gz HBLVSYDXMJLTTI-HKUYNNGSSA-N 1 3 321.509 2.236 20 0 DEADHO CN(C[C@H]1CCCN1C)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655152449 425509346 /nfs/dbraw/zinc/50/93/46/425509346.db2.gz PRRMTMHOCBFVNS-QZTJIDSGSA-N 1 3 315.461 2.061 20 0 DEADHO CN(C[C@H]1CCCN1C)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655152449 425509349 /nfs/dbraw/zinc/50/93/49/425509349.db2.gz PRRMTMHOCBFVNS-QZTJIDSGSA-N 1 3 315.461 2.061 20 0 DEADHO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000661897205 425522242 /nfs/dbraw/zinc/52/22/42/425522242.db2.gz HRAYHYHZHXRPBF-SJORKVTESA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H]1C[C@H](N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CN1C1CC1 ZINC000665254346 425529678 /nfs/dbraw/zinc/52/96/78/425529678.db2.gz OESNSNHAGXAFQY-ZFKCKOODSA-N 1 3 317.452 2.486 20 0 DEADHO C[C@H]1C[C@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CN1C1CC1 ZINC000665257423 425530480 /nfs/dbraw/zinc/53/04/80/425530480.db2.gz IVVZMHDDDMONCQ-PTKHLAPESA-N 1 3 317.452 2.486 20 0 DEADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2CCOC[C@@H]2C)cc1F ZINC000665259366 425530705 /nfs/dbraw/zinc/53/07/05/425530705.db2.gz DADYKAYAWWEIQN-SDNTUTLCSA-N 1 3 322.424 2.294 20 0 DEADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@@H]2CCN2C(C)(C)C)C1 ZINC000665365659 425553309 /nfs/dbraw/zinc/55/33/09/425553309.db2.gz IQNHYKCYSCFYKQ-GJZGRUSLSA-N 1 3 310.486 2.031 20 0 DEADHO CN(CCNC(=O)C[C@H]1[NH2+]Cc2ccccc21)Cc1ccccc1 ZINC000659288158 425567021 /nfs/dbraw/zinc/56/70/21/425567021.db2.gz CLIQWYLNYTTYIN-LJQANCHMSA-N 1 3 323.440 2.469 20 0 DEADHO CC(C)(C)c1cccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000662275459 425610641 /nfs/dbraw/zinc/61/06/41/425610641.db2.gz CRZLUDWGLWZPBF-GOSISDBHSA-N 1 3 301.478 2.464 20 0 DEADHO NC1(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC2(CCC2)C1 ZINC000659310698 425574514 /nfs/dbraw/zinc/57/45/14/425574514.db2.gz CICVKSFBWVEIGK-UHFFFAOYSA-N 1 3 303.381 2.072 20 0 DEADHO O[C@H]1CC[N@@H+](C2CCN(C[C@H]3CCc4ccccc4C3)CC2)C1 ZINC000662152438 425576893 /nfs/dbraw/zinc/57/68/93/425576893.db2.gz DOELZRBTSZNFHT-JXFKEZNVSA-N 1 3 314.473 2.323 20 0 DEADHO O[C@H]1CC[N@H+](C2CCN(C[C@H]3CCc4ccccc4C3)CC2)C1 ZINC000662152438 425576897 /nfs/dbraw/zinc/57/68/97/425576897.db2.gz DOELZRBTSZNFHT-JXFKEZNVSA-N 1 3 314.473 2.323 20 0 DEADHO CC1(C)CCC[NH2+][C@@H]1C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659363927 425585866 /nfs/dbraw/zinc/58/58/66/425585866.db2.gz CZJFYRXYCHWTBQ-JKSUJKDBSA-N 1 3 317.433 2.064 20 0 DEADHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1ccc2c(c1)C[NH2+]C2 ZINC000659366439 425587750 /nfs/dbraw/zinc/58/77/50/425587750.db2.gz KAGGDDSGFNWNNF-SFHVURJKSA-N 1 3 323.396 2.203 20 0 DEADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000665555520 425595027 /nfs/dbraw/zinc/59/50/27/425595027.db2.gz FWLVDGVKIKFSKU-CVEARBPZSA-N 1 3 324.513 2.375 20 0 DEADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000665555520 425595031 /nfs/dbraw/zinc/59/50/31/425595031.db2.gz FWLVDGVKIKFSKU-CVEARBPZSA-N 1 3 324.513 2.375 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N(C)CC(C)(C)[NH3+])c1ccccc1 ZINC000659427958 425600033 /nfs/dbraw/zinc/60/00/33/425600033.db2.gz VGVFOBQIJITDMZ-INIZCTEOSA-N 1 3 320.481 2.448 20 0 DEADHO c1ccc([C@H]2CN(C[C@H]3CCC4(C[NH2+]C4)O3)CCS2)cc1 ZINC000662254810 425601824 /nfs/dbraw/zinc/60/18/24/425601824.db2.gz MIBDOSDXFNJNEH-HZPDHXFCSA-N 1 3 304.459 2.298 20 0 DEADHO COc1c(C)cc(CN(C)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1C ZINC000662257939 425604448 /nfs/dbraw/zinc/60/44/48/425604448.db2.gz RJXPHSYLPAXBGE-INIZCTEOSA-N 1 3 304.434 2.265 20 0 DEADHO CC[NH2+]CC1CCN(C(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662430948 425649752 /nfs/dbraw/zinc/64/97/52/425649752.db2.gz YCCYFMONCWGVON-QGZVFWFLSA-N 1 3 301.434 2.069 20 0 DEADHO CN(C)[C@H]1CCCN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)C1 ZINC000662438982 425650828 /nfs/dbraw/zinc/65/08/28/425650828.db2.gz GHROCEGGLAETMU-IRXDYDNUSA-N 1 3 315.461 2.231 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000662474044 425659874 /nfs/dbraw/zinc/65/98/74/425659874.db2.gz QUSIZSHFJZOBRE-IPYPFGDCSA-N 1 3 309.479 2.245 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000662490281 425663674 /nfs/dbraw/zinc/66/36/74/425663674.db2.gz BKZYALKTWGDDKJ-BHYGNILZSA-N 1 3 303.450 2.011 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000662490695 425664273 /nfs/dbraw/zinc/66/42/73/425664273.db2.gz JYZYOPJOZZDKHL-JQHSSLGASA-N 1 3 315.461 2.013 20 0 DEADHO CC(C)C[C@H](C[NH3+])CC(=O)N1CCN(C2CCCCC2)CC1 ZINC000662504096 425668419 /nfs/dbraw/zinc/66/84/19/425668419.db2.gz PFRJMCZEOUGTLW-INIZCTEOSA-N 1 3 309.498 2.474 20 0 DEADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN([C@@H]2CCO[C@H](C)C2)CC1 ZINC000659862904 425672450 /nfs/dbraw/zinc/67/24/50/425672450.db2.gz FFJGDPRAOCRWFY-BRSBDYLESA-N 1 3 309.498 2.044 20 0 DEADHO C[C@@H](CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)N1CCCC1 ZINC000662523412 425675031 /nfs/dbraw/zinc/67/50/31/425675031.db2.gz BYGDRZZPPSAEQP-WMLDXEAASA-N 1 3 315.461 2.279 20 0 DEADHO CN(C)C[C@H]1CCCN1C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662527652 425676129 /nfs/dbraw/zinc/67/61/29/425676129.db2.gz DYPUEPPHVKCTRJ-DLBZAZTESA-N 1 3 315.461 2.231 20 0 DEADHO C[C@@H](C(=O)NC1CCCC1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291948 425614907 /nfs/dbraw/zinc/61/49/07/425614907.db2.gz ZQCSWUNKDYSETE-GOEBONIOSA-N 1 3 307.482 2.145 20 0 DEADHO CN(CC(C)(C)[NH3+])C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000659491281 425615518 /nfs/dbraw/zinc/61/55/18/425615518.db2.gz QZLSSABVJVRNHS-UHFFFAOYSA-N 1 3 324.513 2.411 20 0 DEADHO C[C@@H](C(=O)N1CCCCCC1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295244 425616533 /nfs/dbraw/zinc/61/65/33/425616533.db2.gz GGKLXEDMORMHDH-FUHWJXTLSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CCCN(CC(=O)NCc2ccc(F)cc2)[C@@H]1CCC[NH3+] ZINC000662313444 425621455 /nfs/dbraw/zinc/62/14/55/425621455.db2.gz OKFRNRSTVCPERR-RHSMWYFYSA-N 1 3 321.440 2.281 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662360301 425632222 /nfs/dbraw/zinc/63/22/22/425632222.db2.gz HAEHUSULRVSNIC-IRXDYDNUSA-N 1 3 315.461 2.279 20 0 DEADHO CCCCN1CCC([NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000655703577 425632831 /nfs/dbraw/zinc/63/28/31/425632831.db2.gz ROVIOARBWJQQRD-LJQANCHMSA-N 1 3 323.525 2.484 20 0 DEADHO CCCCN1CCCC[C@H]1C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000655715024 425636520 /nfs/dbraw/zinc/63/65/20/425636520.db2.gz HWHJFIPLHMQYQS-RBUKOAKNSA-N 1 3 323.525 2.484 20 0 DEADHO O=C(C[C@H]1NCc2ccccc21)NCC[NH+]1CCCCCC1 ZINC000662379872 425637147 /nfs/dbraw/zinc/63/71/47/425637147.db2.gz FGSQMMFXVRWPRX-QGZVFWFLSA-N 1 3 301.434 2.213 20 0 DEADHO CN[C@@H](C)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000662387516 425638183 /nfs/dbraw/zinc/63/81/83/425638183.db2.gz HAHYGJBOAIIOKU-OAGGEKHMSA-N 1 3 317.477 2.389 20 0 DEADHO C[NH2+]C[C@H](C)NC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000659647168 425642451 /nfs/dbraw/zinc/64/24/51/425642451.db2.gz LTUXNPPRGFFWID-GTPINHCMSA-N 1 3 324.513 2.136 20 0 DEADHO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)C[C@H](O)CN(C)C(C)C ZINC000660099149 425736362 /nfs/dbraw/zinc/73/63/62/425736362.db2.gz FCIDUFHCKDATLU-OWCLPIDISA-N 1 3 300.487 2.213 20 0 DEADHO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)C[C@H](O)CN(C)C(C)C ZINC000660099149 425736365 /nfs/dbraw/zinc/73/63/65/425736365.db2.gz FCIDUFHCKDATLU-OWCLPIDISA-N 1 3 300.487 2.213 20 0 DEADHO [NH3+]Cc1ccc(NC(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1 ZINC000655909599 425683212 /nfs/dbraw/zinc/68/32/12/425683212.db2.gz JTTOYTKOPYLMMK-JKSUJKDBSA-N 1 3 302.422 2.284 20 0 DEADHO COc1ccccc1[C@H]1CC[N@H+](C[C@@H](O)CN(C)C(C)C)C1 ZINC000659943646 425696372 /nfs/dbraw/zinc/69/63/72/425696372.db2.gz DPCNLRGKTKARTI-HOTGVXAUSA-N 1 3 306.450 2.186 20 0 DEADHO COc1ccccc1[C@H]1CC[N@@H+](C[C@@H](O)CN(C)C(C)C)C1 ZINC000659943646 425696375 /nfs/dbraw/zinc/69/63/75/425696375.db2.gz DPCNLRGKTKARTI-HOTGVXAUSA-N 1 3 306.450 2.186 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000655966678 425696371 /nfs/dbraw/zinc/69/63/71/425696371.db2.gz DYPNIFQBKNRKAC-WKILWMFISA-N 1 3 324.513 2.267 20 0 DEADHO C[C@H](C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)[C@H](N)c1ccccc1 ZINC000662622738 425696878 /nfs/dbraw/zinc/69/68/78/425696878.db2.gz TWRZQXYGMJFENX-BPUTZDHNSA-N 1 3 303.450 2.312 20 0 DEADHO C[C@H](C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)[C@H](N)c1ccccc1 ZINC000662622738 425696881 /nfs/dbraw/zinc/69/68/81/425696881.db2.gz TWRZQXYGMJFENX-BPUTZDHNSA-N 1 3 303.450 2.312 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000655970381 425697048 /nfs/dbraw/zinc/69/70/48/425697048.db2.gz SJLGHXSDFZAMTC-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO CC[NH+]1CCC(N(C)C(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662673489 425708868 /nfs/dbraw/zinc/70/88/68/425708868.db2.gz LRQFKEOXLKFYMK-QGZVFWFLSA-N 1 3 301.434 2.164 20 0 DEADHO C[N@H+](CCCNC(=O)C1(NC2CC2)CCC1)Cc1ccccc1 ZINC000662673109 425709580 /nfs/dbraw/zinc/70/95/80/425709580.db2.gz XJPGUNZOXNLNRP-UHFFFAOYSA-N 1 3 315.461 2.299 20 0 DEADHO C[N@@H+](CCCNC(=O)C1(NC2CC2)CCC1)Cc1ccccc1 ZINC000662673109 425709585 /nfs/dbraw/zinc/70/95/85/425709585.db2.gz XJPGUNZOXNLNRP-UHFFFAOYSA-N 1 3 315.461 2.299 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C1(N)CC2(CCC2)C1 ZINC000662682085 425712362 /nfs/dbraw/zinc/71/23/62/425712362.db2.gz DKVXOKJYCCWFTJ-HNNXBMFYSA-N 1 3 307.482 2.419 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C1(N)CC2(CCC2)C1 ZINC000662682085 425712369 /nfs/dbraw/zinc/71/23/69/425712369.db2.gz DKVXOKJYCCWFTJ-HNNXBMFYSA-N 1 3 307.482 2.419 20 0 DEADHO CC[NH+](CC)CCCCNC(=O)c1cccc2c1CCNC2 ZINC000662681689 425712938 /nfs/dbraw/zinc/71/29/38/425712938.db2.gz BDPDTDAUHARZRW-UHFFFAOYSA-N 1 3 303.450 2.184 20 0 DEADHO O=C(c1cccc2c1CCNC2)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000662697066 425716439 /nfs/dbraw/zinc/71/64/39/425716439.db2.gz ARPGPJYTIYHFQL-INIZCTEOSA-N 1 3 313.445 2.033 20 0 DEADHO OC[C@@H](CNC1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1 ZINC000666224788 425719677 /nfs/dbraw/zinc/71/96/77/425719677.db2.gz GRULQMSLLZZQLL-MRXNPFEDSA-N 1 3 306.425 2.366 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)CC2([NH3+])CC2)CC1 ZINC000662721605 425721260 /nfs/dbraw/zinc/72/12/60/425721260.db2.gz RJVQSSVRFIJIMR-AWEZNQCLSA-N 1 3 301.434 2.210 20 0 DEADHO C[C@@H](CNC(=O)C1([NH2+]C2CC2)CCC1)N(C)Cc1ccccc1 ZINC000662730790 425723975 /nfs/dbraw/zinc/72/39/75/425723975.db2.gz PNERUSVBRIUROD-HNNXBMFYSA-N 1 3 315.461 2.298 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1[NH2+]CCC1(C)C)N(C)Cc1ccccc1 ZINC000662730762 425724247 /nfs/dbraw/zinc/72/42/47/425724247.db2.gz OTEJPPYIYVUCRT-ZBFHGGJFSA-N 1 3 303.450 2.011 20 0 DEADHO O=C(N1CCC[C@@H]([NH+]2CCCC2)CC1)C1(NC2CC2)CCC1 ZINC000662741093 425726077 /nfs/dbraw/zinc/72/60/77/425726077.db2.gz KJSJVWQGDDFYJL-MRXNPFEDSA-N 1 3 305.466 2.138 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2CC2CCCC2)C1 ZINC000656194565 425727858 /nfs/dbraw/zinc/72/78/58/425727858.db2.gz KNEDCBLEJIIOEI-IAGOWNOFSA-N 1 3 307.482 2.228 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]2CC2CCCC2)C1 ZINC000656194565 425727861 /nfs/dbraw/zinc/72/78/61/425727861.db2.gz KNEDCBLEJIIOEI-IAGOWNOFSA-N 1 3 307.482 2.228 20 0 DEADHO CN1CCC[C@H](CNC(=O)CC2([NH3+])CC2)[C@@H]1c1cccs1 ZINC000662745214 425729097 /nfs/dbraw/zinc/72/90/97/425729097.db2.gz JTNQJVNLQLIEFV-IUODEOHRSA-N 1 3 307.463 2.129 20 0 DEADHO c1c([C@H]2CCC[NH2+]C2)nnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000656455371 425772719 /nfs/dbraw/zinc/77/27/19/425772719.db2.gz FFJDQSHWXLPPOK-IRXDYDNUSA-N 1 3 311.433 2.192 20 0 DEADHO CC[C@@](C)(N)c1cn(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656468685 425775946 /nfs/dbraw/zinc/77/59/46/425775946.db2.gz RAXHPMLNXYGWCI-SJLPKXTDSA-N 1 3 313.449 2.384 20 0 DEADHO CC[C@@](C)(N)c1cn(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656468685 425775951 /nfs/dbraw/zinc/77/59/51/425775951.db2.gz RAXHPMLNXYGWCI-SJLPKXTDSA-N 1 3 313.449 2.384 20 0 DEADHO c1cc(N2CCC([NH2+][C@@H]3CCN(CC4CC4)C3)CC2)ccn1 ZINC000656498768 425783403 /nfs/dbraw/zinc/78/34/03/425783403.db2.gz JOCAZHLPKBYDLY-QGZVFWFLSA-N 1 3 300.450 2.124 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000656537849 425788623 /nfs/dbraw/zinc/78/86/23/425788623.db2.gz QLNCFEOLUSOUMJ-GJZGRUSLSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000656537849 425788627 /nfs/dbraw/zinc/78/86/27/425788627.db2.gz QLNCFEOLUSOUMJ-GJZGRUSLSA-N 1 3 310.486 2.033 20 0 DEADHO CO[C@@H](CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C1CCC1 ZINC000660127476 425747949 /nfs/dbraw/zinc/74/79/49/425747949.db2.gz AIJUOANCCQZECO-SWDXFRIISA-N 1 3 321.509 2.044 20 0 DEADHO CO[C@@H](CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C1CCC1 ZINC000660127476 425747952 /nfs/dbraw/zinc/74/79/52/425747952.db2.gz AIJUOANCCQZECO-SWDXFRIISA-N 1 3 321.509 2.044 20 0 DEADHO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000666477029 425761825 /nfs/dbraw/zinc/76/18/25/425761825.db2.gz PMIGRRWNNADWLT-NVXWUHKLSA-N 1 3 306.450 2.220 20 0 DEADHO C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000666477029 425761828 /nfs/dbraw/zinc/76/18/28/425761828.db2.gz PMIGRRWNNADWLT-NVXWUHKLSA-N 1 3 306.450 2.220 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC[C@H](N3CCOCC3)CC2)C1 ZINC000660476154 425819422 /nfs/dbraw/zinc/81/94/22/425819422.db2.gz XCJHKVMUJIBRNN-OTWHNJEPSA-N 1 3 323.525 2.151 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC[C@H](N3CCOCC3)CC2)C1 ZINC000660476154 425819423 /nfs/dbraw/zinc/81/94/23/425819423.db2.gz XCJHKVMUJIBRNN-OTWHNJEPSA-N 1 3 323.525 2.151 20 0 DEADHO COc1cc2nccc(N3CC[C@H]4CC[NH2+][C@H]4C3)c2cc1OC ZINC000663240604 425820825 /nfs/dbraw/zinc/82/08/25/425820825.db2.gz WMJCZEIOAZBKEX-DOMZBBRYSA-N 1 3 313.401 2.440 20 0 DEADHO CCC[C@](C)([NH3+])C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000370766102 269082395 /nfs/dbraw/zinc/08/23/95/269082395.db2.gz JPWKBGSXGORALY-WMZOPIPTSA-N 1 3 303.450 2.237 20 0 DEADHO C[C@@H]1C[C@@H](C)N(CCC(=O)Nc2ccccc2F)C[C@H]1C[NH3+] ZINC000397486160 269106961 /nfs/dbraw/zinc/10/69/61/269106961.db2.gz VAAPCHJBXMSHOB-MGPQQGTHSA-N 1 3 307.413 2.460 20 0 DEADHO OC1(CNCc2ccco2)CC[NH+](Cc2ccccc2)CC1 ZINC000397497734 269107013 /nfs/dbraw/zinc/10/70/13/269107013.db2.gz RVVNQMSBYIQTDW-UHFFFAOYSA-N 1 3 300.402 2.396 20 0 DEADHO C[C@H](CC(N)=O)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512630585 269321601 /nfs/dbraw/zinc/32/16/01/269321601.db2.gz NPDJARWXPUKMTG-LAVFITLUSA-N 1 3 315.461 2.141 20 0 DEADHO C[C@H](CC(N)=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512630585 269321602 /nfs/dbraw/zinc/32/16/02/269321602.db2.gz NPDJARWXPUKMTG-LAVFITLUSA-N 1 3 315.461 2.141 20 0 DEADHO C[C@H](CC(N)=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512630585 269321604 /nfs/dbraw/zinc/32/16/04/269321604.db2.gz NPDJARWXPUKMTG-LAVFITLUSA-N 1 3 315.461 2.141 20 0 DEADHO Cc1ncncc1[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000514615008 269325042 /nfs/dbraw/zinc/32/50/42/269325042.db2.gz REPUITPCXGTGBX-ZNMIVQPWSA-N 1 3 306.454 2.325 20 0 DEADHO C[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H]1CCCc2ccccc21 ZINC000514781963 269331449 /nfs/dbraw/zinc/33/14/49/269331449.db2.gz PZRHHFSGOPZEEG-CRAIPNDOSA-N 1 3 315.461 2.193 20 0 DEADHO C[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H]1CCCc2ccccc21 ZINC000514781963 269331450 /nfs/dbraw/zinc/33/14/50/269331450.db2.gz PZRHHFSGOPZEEG-CRAIPNDOSA-N 1 3 315.461 2.193 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N2CCCN(C(C)(C)C)CC2)CC1 ZINC000514834687 269333243 /nfs/dbraw/zinc/33/32/43/269333243.db2.gz YHFFOTCSQWXGKW-UHFFFAOYSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H](Cc1ccccc1F)[NH2+]CCCCN1CCN(C)CC1 ZINC000525857912 269492126 /nfs/dbraw/zinc/49/21/26/269492126.db2.gz CIAXOQQBZMJTJV-MRXNPFEDSA-N 1 3 307.457 2.374 20 0 DEADHO C[C@@H]1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000424008016 274299196 /nfs/dbraw/zinc/29/91/96/274299196.db2.gz GXLQJJOWPQPYAU-NJAFHUGGSA-N 1 3 315.461 2.094 20 0 DEADHO CCN(C(=O)CC[NH2+]C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000262380514 276060240 /nfs/dbraw/zinc/06/02/40/276060240.db2.gz MVIFLYBIMQNZNL-NVXWUHKLSA-N 1 3 303.450 2.280 20 0 DEADHO CC1CC[NH+](C[C@@H]2CCCN(C[C@H]3CCNC(=O)CC3)C2)CC1 ZINC000450323885 276198580 /nfs/dbraw/zinc/19/85/80/276198580.db2.gz LBGFRTPIYRRBPV-MSOLQXFVSA-N 1 3 321.509 2.347 20 0 DEADHO CC1CCN(C[C@@H]2CCC[N@H+](C[C@H]3CCNC(=O)CC3)C2)CC1 ZINC000450323885 276198582 /nfs/dbraw/zinc/19/85/82/276198582.db2.gz LBGFRTPIYRRBPV-MSOLQXFVSA-N 1 3 321.509 2.347 20 0 DEADHO CC1CCN(C[C@@H]2CCC[N@@H+](C[C@H]3CCNC(=O)CC3)C2)CC1 ZINC000450323885 276198585 /nfs/dbraw/zinc/19/85/85/276198585.db2.gz LBGFRTPIYRRBPV-MSOLQXFVSA-N 1 3 321.509 2.347 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000344722810 276260968 /nfs/dbraw/zinc/26/09/68/276260968.db2.gz LSUGYLPUSINDMF-RDJZCZTQSA-N 1 3 307.482 2.194 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000344722810 276260969 /nfs/dbraw/zinc/26/09/69/276260969.db2.gz LSUGYLPUSINDMF-RDJZCZTQSA-N 1 3 307.482 2.194 20 0 DEADHO CN1CCN(CC[NH2+][C@H]2CCc3cc(F)ccc32)CC1(C)C ZINC000282277129 277106396 /nfs/dbraw/zinc/10/63/96/277106396.db2.gz KUZRQBGNFYATEW-KRWDZBQOSA-N 1 3 305.441 2.429 20 0 DEADHO CC(C)(C)O[C@@H]1C[C@H](NC[C@@H](O)C[NH+]2CCCCC2)C1(C)C ZINC000414067594 277218236 /nfs/dbraw/zinc/21/82/36/277218236.db2.gz JCGVROGVDJDNEH-OWCLPIDISA-N 1 3 312.498 2.405 20 0 DEADHO C[NH2+]CCCNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000417693100 277268047 /nfs/dbraw/zinc/26/80/47/277268047.db2.gz PWAUCVXHKPXQBU-OAHLLOKOSA-N 1 3 318.465 2.121 20 0 DEADHO C[NH2+]Cc1ccccc1NC(=O)N1CCCN(C(C)C)CC1 ZINC000415910237 277287557 /nfs/dbraw/zinc/28/75/57/277287557.db2.gz HPHMYPPJGHLHEO-UHFFFAOYSA-N 1 3 304.438 2.354 20 0 DEADHO CC(C)CN(C(=O)C[C@H]1CCCC[C@H]1[NH3+])C1CCN(C)CC1 ZINC000423760099 277372659 /nfs/dbraw/zinc/37/26/59/277372659.db2.gz NBUIJYFEZYGTCC-NVXWUHKLSA-N 1 3 309.498 2.473 20 0 DEADHO COc1cccc(NC(=O)CC[N@@H+]2CCCC[C@H]2[C@H](C)N)c1 ZINC000430614262 278017468 /nfs/dbraw/zinc/01/74/68/278017468.db2.gz YVGHSFDNNYNASJ-BBRMVZONSA-N 1 3 305.422 2.226 20 0 DEADHO COc1cccc(NC(=O)CC[N@H+]2CCCC[C@H]2[C@H](C)N)c1 ZINC000430614262 278017471 /nfs/dbraw/zinc/01/74/71/278017471.db2.gz YVGHSFDNNYNASJ-BBRMVZONSA-N 1 3 305.422 2.226 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CCN1C ZINC000417744090 278018915 /nfs/dbraw/zinc/01/89/15/278018915.db2.gz CMRQGVXSSQWWOT-YYIAUSFCSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](O)CC[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000292131913 278392327 /nfs/dbraw/zinc/39/23/27/278392327.db2.gz LQTQANQRXZNPDK-ZBFHGGJFSA-N 1 3 304.434 2.335 20 0 DEADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N(C)C1CC([NH3+])C1)N(C)C ZINC000418162752 278956018 /nfs/dbraw/zinc/95/60/18/278956018.db2.gz CWWLYSREVPUOQV-PBMMVSLJSA-N 1 3 318.465 2.117 20 0 DEADHO CCN(CCNC(=O)NCC(C)(C)[NH+]1CCCCC1)C1CC1 ZINC000101975042 279198257 /nfs/dbraw/zinc/19/82/57/279198257.db2.gz IELRNHXDLMPCQZ-UHFFFAOYSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCC2(CC[NH2+]C2)CC1 ZINC000431027024 279233092 /nfs/dbraw/zinc/23/30/92/279233092.db2.gz ZFXOKYIRWQKKEB-VQHPVUNQSA-N 1 3 321.509 2.391 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000111882994 279270128 /nfs/dbraw/zinc/27/01/28/279270128.db2.gz QGMYIBDTAUZHTD-SJORKVTESA-N 1 3 322.497 2.131 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420792948 279271524 /nfs/dbraw/zinc/27/15/24/279271524.db2.gz QCXPJMYWABITJA-UYSNPLJNSA-N 1 3 310.486 2.033 20 0 DEADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433918218 279272124 /nfs/dbraw/zinc/27/21/24/279272124.db2.gz HQARXOQIKJEHML-IAGOWNOFSA-N 1 3 322.497 2.177 20 0 DEADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433918218 279272125 /nfs/dbraw/zinc/27/21/25/279272125.db2.gz HQARXOQIKJEHML-IAGOWNOFSA-N 1 3 322.497 2.177 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000440208318 279429587 /nfs/dbraw/zinc/42/95/87/279429587.db2.gz RBCQGMLVDWVTKT-UHFFFAOYSA-N 1 3 312.502 2.233 20 0 DEADHO CC(C)N(Cc1ccccc1)C(=O)CN1CCC([C@H](C)[NH3+])CC1 ZINC000430937278 279460026 /nfs/dbraw/zinc/46/00/26/279460026.db2.gz AQMSRRMDNWSCDM-INIZCTEOSA-N 1 3 317.477 2.483 20 0 DEADHO Cc1ccc(S(=O)(=O)C[C@H](C)NCC2(C)CC[NH2+]CC2)cc1 ZINC000423316436 280926881 /nfs/dbraw/zinc/92/68/81/280926881.db2.gz ATWNTLSZNZSSGL-HNNXBMFYSA-N 1 3 324.490 2.137 20 0 DEADHO CN(C)C(=O)[C@H](c1ccccc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420331940 289015821 /nfs/dbraw/zinc/01/58/21/289015821.db2.gz CHQAPCSJHBGUCU-KURKYZTESA-N 1 3 315.461 2.137 20 0 DEADHO CN1CC[C@H]2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@H]2C1 ZINC000355806946 289081127 /nfs/dbraw/zinc/08/11/27/289081127.db2.gz GQSUWPBMWZJPGB-HOTGVXAUSA-N 1 3 307.482 2.051 20 0 DEADHO CN(C)CCN1CCC([NH2+][C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281241577 289153852 /nfs/dbraw/zinc/15/38/52/289153852.db2.gz NGWRMIGZANTNAL-SFHVURJKSA-N 1 3 320.456 2.287 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)c1oc2ccccc2c1CN(C)C ZINC000449569769 289463982 /nfs/dbraw/zinc/46/39/82/289463982.db2.gz DIRZUCJSIQHROB-GFCCVEGCSA-N 1 3 303.406 2.352 20 0 DEADHO C[C@H]([NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)[C@@H]1CCCNC1 ZINC000414844263 289938467 /nfs/dbraw/zinc/93/84/67/289938467.db2.gz CPKJRHWKVMQMAX-LSDHHAIUSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H](N)C(C)(C)C)C1 ZINC000431062080 290255776 /nfs/dbraw/zinc/25/57/76/290255776.db2.gz NOAFTPSHAQCUDG-FVQBIDKESA-N 1 3 303.450 2.312 20 0 DEADHO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H](N)C(C)(C)C)C1 ZINC000431062080 290255779 /nfs/dbraw/zinc/25/57/79/290255779.db2.gz NOAFTPSHAQCUDG-FVQBIDKESA-N 1 3 303.450 2.312 20 0 DEADHO COc1ccc([C@@H](NC2CCN(C)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422786743 295215297 /nfs/dbraw/zinc/21/52/97/295215297.db2.gz QPKWVKLPJOHGHP-ZWKOTPCHSA-N 1 3 303.450 2.172 20 0 DEADHO [NH3+]CC[C@@H]1CCCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000443062655 295237744 /nfs/dbraw/zinc/23/77/44/295237744.db2.gz UPXXEMPFHKBGKY-ISOUWHGUSA-N 1 3 319.493 2.132 20 0 DEADHO COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N ZINC000423044591 295258446 /nfs/dbraw/zinc/25/84/46/295258446.db2.gz BPLHUQZJXCWQNX-LLBUTXAOSA-N 1 3 318.461 2.457 20 0 DEADHO N[C@@H](CC(F)F)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000345796905 295293158 /nfs/dbraw/zinc/29/31/58/295293158.db2.gz LMJKRPWLPRLUNU-KBPBESRZSA-N 1 3 317.424 2.084 20 0 DEADHO O=C(CC1CC[NH2+]CC1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000238144056 295468248 /nfs/dbraw/zinc/46/82/48/295468248.db2.gz BHSDDASGYSVDIB-SFHVURJKSA-N 1 3 315.461 2.329 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)/C=C\C[NH+](C)C)N(C)C ZINC000491964763 302202022 /nfs/dbraw/zinc/20/20/22/302202022.db2.gz OFQNXPPXYKGYNS-OCDJRVHSSA-N 1 3 303.450 2.220 20 0 DEADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCCN1CC=CCC1 ZINC000423096308 304858594 /nfs/dbraw/zinc/85/85/94/304858594.db2.gz OQYMAUWTLAPKBK-PKOBYXMFSA-N 1 3 313.445 2.094 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001349486624 1151254406 /nfs/dbraw/zinc/25/44/06/1151254406.db2.gz HMDDGULTQLBSSR-UHFFFAOYSA-N 1 3 309.498 2.491 20 0 DEADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000573320689 326044621 /nfs/dbraw/zinc/04/46/21/326044621.db2.gz FXZQNLYZGZBNKW-LZWOXQAQSA-N 1 3 321.490 2.074 20 0 DEADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2)C1 ZINC000573479438 326061515 /nfs/dbraw/zinc/06/15/15/326061515.db2.gz XJGNJMBRVRPNOS-IAGOWNOFSA-N 1 3 306.450 2.136 20 0 DEADHO C[C@H](N[C@H]1CCN(C(=O)C2CCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000573902384 326102978 /nfs/dbraw/zinc/10/29/78/326102978.db2.gz KSQSDGKMZPVOMT-XIRDDKMYSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)[C@H]1CCCNC1 ZINC000573902384 326102980 /nfs/dbraw/zinc/10/29/80/326102980.db2.gz KSQSDGKMZPVOMT-XIRDDKMYSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)CN1CCC([NH2+]C[C@@H](O)COCc2ccccc2)CC1 ZINC000574150708 326127536 /nfs/dbraw/zinc/12/75/36/326127536.db2.gz FQDVVNVKMUJNLG-LJQANCHMSA-N 1 3 320.477 2.274 20 0 DEADHO CC[NH+](CC)C[C@H](C)NC(=O)Nc1cccc2c1CCNC2 ZINC000574545240 326165323 /nfs/dbraw/zinc/16/53/23/326165323.db2.gz PQQXMAZNSCQTTF-ZDUSSCGKSA-N 1 3 304.438 2.184 20 0 DEADHO CSc1ccc([C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)N(C)C)cc1 ZINC000576426461 326292975 /nfs/dbraw/zinc/29/29/75/326292975.db2.gz JHYZLRAFRPABCF-HOCLYGCPSA-N 1 3 321.490 2.079 20 0 DEADHO CSc1ccc([C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)N(C)C)cc1 ZINC000576426461 326292976 /nfs/dbraw/zinc/29/29/76/326292976.db2.gz JHYZLRAFRPABCF-HOCLYGCPSA-N 1 3 321.490 2.079 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)C(C)(C)C)CC2)CC1 ZINC000576958267 326332872 /nfs/dbraw/zinc/33/28/72/326332872.db2.gz XTSDXIMFYCQSQP-UHFFFAOYSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)NCC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000582074103 333200682 /nfs/dbraw/zinc/20/06/82/333200682.db2.gz AIIKHYUHWDYNAO-SJLPKXTDSA-N 1 3 317.477 2.401 20 0 DEADHO CC(C)NCC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000582074103 333200683 /nfs/dbraw/zinc/20/06/83/333200683.db2.gz AIIKHYUHWDYNAO-SJLPKXTDSA-N 1 3 317.477 2.401 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)C3CCC3)CC2)CC1 ZINC000584359468 337102517 /nfs/dbraw/zinc/10/25/17/337102517.db2.gz DBCMETWSLNXQPM-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO N[C@H]1C[C@@H]([NH2+]CCc2nnc3n2CCCCC3)c2ccccc21 ZINC000583137839 337243378 /nfs/dbraw/zinc/24/33/78/337243378.db2.gz HMOWRKZKLLGJLN-JKSUJKDBSA-N 1 3 311.433 2.281 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CNCc2ccccc21 ZINC000584466553 337347185 /nfs/dbraw/zinc/34/71/85/337347185.db2.gz BDONUPXFWASECX-VKJFTORMSA-N 1 3 315.461 2.110 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CNCc2ccccc21 ZINC000584466553 337347186 /nfs/dbraw/zinc/34/71/86/337347186.db2.gz BDONUPXFWASECX-VKJFTORMSA-N 1 3 315.461 2.110 20 0 DEADHO COc1ccc(COCCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422906270 533717582 /nfs/dbraw/zinc/71/75/82/533717582.db2.gz JKXVOQUXWFBMBK-SJPCQFCGSA-N 1 3 304.434 2.475 20 0 DEADHO CC[C@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1csc(C)c1 ZINC001378321649 1152291888 /nfs/dbraw/zinc/29/18/88/1152291888.db2.gz UFNFXFKFDROJCJ-CABCVRRESA-N 1 3 311.495 2.381 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001378508805 1152356372 /nfs/dbraw/zinc/35/63/72/1152356372.db2.gz WTNHAWGYZNDSJY-JKSUJKDBSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC001378528676 1152363297 /nfs/dbraw/zinc/36/32/97/1152363297.db2.gz IODZYFLOYQEUJE-CQSZACIVSA-N 1 3 321.509 2.343 20 0 DEADHO CC/C=C\CC[NH+]1CC([C@H](C)NC(=O)CN2CC[C@H](C)C2)C1 ZINC001330055208 1149041909 /nfs/dbraw/zinc/04/19/09/1149041909.db2.gz UJBTWICTPPCWBV-XFCCUVRLSA-N 1 3 307.482 2.121 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C1CC[NH+](CC[C@@H](C)F)CC1 ZINC001369568681 1149043570 /nfs/dbraw/zinc/04/35/70/1149043570.db2.gz JWBXWDIBJPUVBP-OLZOCXBDSA-N 1 3 324.444 2.225 20 0 DEADHO C[C@@H](C[NH3+])CNC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000417710072 533763341 /nfs/dbraw/zinc/76/33/41/533763341.db2.gz UGXWIRQSALEFDC-KBPBESRZSA-N 1 3 306.454 2.010 20 0 DEADHO C[C@H](NC1CC1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000294777193 533798121 /nfs/dbraw/zinc/79/81/21/533798121.db2.gz NHHNRWYNKWMPRG-AWEZNQCLSA-N 1 3 301.434 2.039 20 0 DEADHO COc1cc(CN2CCC[C@H](CC[NH3+])C2)cc2c1OCCO2 ZINC000442923641 533808576 /nfs/dbraw/zinc/80/85/76/533808576.db2.gz QWDFHAYGBRUVDI-CYBMUJFWSA-N 1 3 306.406 2.027 20 0 DEADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)NCCF ZINC001400806758 1161825108 /nfs/dbraw/zinc/82/51/08/1161825108.db2.gz PWKAHCFSSFKQDY-HUUCEWRRSA-N 1 3 313.461 2.095 20 0 DEADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)NCCF ZINC001400806758 1161825109 /nfs/dbraw/zinc/82/51/09/1161825109.db2.gz PWKAHCFSSFKQDY-HUUCEWRRSA-N 1 3 313.461 2.095 20 0 DEADHO COc1cc(CNC[C@@H](C)C[NH3+])ccc1OCc1ccncc1 ZINC000414884249 533877424 /nfs/dbraw/zinc/87/74/24/533877424.db2.gz VYLZWJGSRWHBQY-AWEZNQCLSA-N 1 3 315.417 2.354 20 0 DEADHO COc1ccc(F)c(N2CCN(C[C@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000414752001 533908832 /nfs/dbraw/zinc/90/88/32/533908832.db2.gz BLYGBQWGRDHPNC-GJZGRUSLSA-N 1 3 321.440 2.344 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCCC[C@H]1C[NH3+] ZINC000417972063 534022858 /nfs/dbraw/zinc/02/28/58/534022858.db2.gz BAKHQTZZRSMJPX-WBVHZDCISA-N 1 3 318.465 2.030 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000422806516 534075272 /nfs/dbraw/zinc/07/52/72/534075272.db2.gz NLYOHJIJDGSIDK-QRQLOZEOSA-N 1 3 317.477 2.038 20 0 DEADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCCOC1CCOCC1 ZINC000422915678 534178399 /nfs/dbraw/zinc/17/83/99/534178399.db2.gz BKABNQVRLXCTOR-MAUKXSAKSA-N 1 3 306.450 2.120 20 0 DEADHO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CC1(O)CCN(C)CC1 ZINC000421839709 534232629 /nfs/dbraw/zinc/23/26/29/534232629.db2.gz XTOFNPLAOUXGKQ-LBPRGKRZSA-N 1 3 314.832 2.456 20 0 DEADHO COC(=O)c1cccc(OCCN2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000422625221 534280281 /nfs/dbraw/zinc/28/02/81/534280281.db2.gz AYQNAANDQOWOAN-DZKIICNBSA-N 1 3 320.433 2.157 20 0 DEADHO O=S(=O)(CCNCCCCC[NH+]1CCCC1)c1ccccc1 ZINC000572752970 518202725 /nfs/dbraw/zinc/20/27/25/518202725.db2.gz RCDZSIFPYHNMMY-UHFFFAOYSA-N 1 3 324.490 2.316 20 0 DEADHO O[C@H](CCc1ccccc1)CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423028716 534426110 /nfs/dbraw/zinc/42/61/10/534426110.db2.gz GYDZHFBEFDHEDZ-NCXUSEDFSA-N 1 3 302.462 2.490 20 0 DEADHO CCN(C)C(=O)CCN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000130569090 520139839 /nfs/dbraw/zinc/13/98/39/520139839.db2.gz LVEYMGDRVJNRMW-SFHVURJKSA-N 1 3 317.477 2.309 20 0 DEADHO CCN(C)C(=O)CCN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000130569090 520139853 /nfs/dbraw/zinc/13/98/53/520139853.db2.gz LVEYMGDRVJNRMW-SFHVURJKSA-N 1 3 317.477 2.309 20 0 DEADHO CCN(CC)CC(=O)N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000103112981 520571766 /nfs/dbraw/zinc/57/17/66/520571766.db2.gz OXYWYMZXCSMRKV-UHFFFAOYSA-N 1 3 305.466 2.227 20 0 DEADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000105198345 521616587 /nfs/dbraw/zinc/61/65/87/521616587.db2.gz NULWEWXMUMBMFM-SJORKVTESA-N 1 3 324.513 2.138 20 0 DEADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000105198345 521616591 /nfs/dbraw/zinc/61/65/91/521616591.db2.gz NULWEWXMUMBMFM-SJORKVTESA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCC(C)CC1 ZINC000338264529 524425207 /nfs/dbraw/zinc/42/52/07/524425207.db2.gz SSJRDCLKUNVADP-BRWVUGGUSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCC(C)CC1 ZINC000338264529 524425220 /nfs/dbraw/zinc/42/52/20/524425220.db2.gz SSJRDCLKUNVADP-BRWVUGGUSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CCC(C)CC1 ZINC000338403388 524430584 /nfs/dbraw/zinc/43/05/84/524430584.db2.gz CRJRHKQGOWWJPI-IXDOHACOSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)N1CCC(C)CC1 ZINC000338403388 524430590 /nfs/dbraw/zinc/43/05/90/524430590.db2.gz CRJRHKQGOWWJPI-IXDOHACOSA-N 1 3 322.497 2.033 20 0 DEADHO Cc1ccc(C[NH2+]CCOCCN(C)C)c(-c2cnn(C)c2)c1 ZINC000338445507 524577065 /nfs/dbraw/zinc/57/70/65/524577065.db2.gz QCIGIPUZMVCLHA-UHFFFAOYSA-N 1 3 316.449 2.063 20 0 DEADHO C(COC1CCCCCC1)N[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422755804 527487583 /nfs/dbraw/zinc/48/75/83/527487583.db2.gz HDCXLRZCHIAFAQ-RCCFBDPRSA-N 1 3 310.482 2.473 20 0 DEADHO CCCN(C(=O)NCCN1CCCC[C@@H]1CC)[C@@H]1CC[NH2+]C1 ZINC000417709966 527752484 /nfs/dbraw/zinc/75/24/84/527752484.db2.gz XBWZOGALJYMCSR-JKSUJKDBSA-N 1 3 310.486 2.034 20 0 DEADHO COCCCN(C)CC[NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000340248844 536511942 /nfs/dbraw/zinc/51/19/42/536511942.db2.gz XORDBFZJCWJTLU-OALUTQOASA-N 1 3 319.493 2.380 20 0 DEADHO CCC[C@H](C)C(=O)NCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423124366 528016881 /nfs/dbraw/zinc/01/68/81/528016881.db2.gz GIUVAJLTFIIVCR-LUKYLMHMSA-N 1 3 309.498 2.439 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418492127 528083033 /nfs/dbraw/zinc/08/30/33/528083033.db2.gz UHEJGJUMTHTXEG-MRXNPFEDSA-N 1 3 310.486 2.021 20 0 DEADHO CC[NH+](CC)[C@H](CN[C@@H](C1CC1)[C@H]1CNCCO1)CC(C)C ZINC000422822912 528280080 /nfs/dbraw/zinc/28/00/80/528280080.db2.gz BVBJRWZPOYWIPO-KSZLIROESA-N 1 3 311.514 2.100 20 0 DEADHO CCN(CC)[C@H](C[NH2+][C@@H](C1CC1)[C@H]1CNCCO1)CC(C)C ZINC000422822912 528280086 /nfs/dbraw/zinc/28/00/86/528280086.db2.gz BVBJRWZPOYWIPO-KSZLIROESA-N 1 3 311.514 2.100 20 0 DEADHO CC(C)C[C@H](CO)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422973879 528549423 /nfs/dbraw/zinc/54/94/23/528549423.db2.gz PUMNSYYNWQRLHY-QGPMSJSTSA-N 1 3 304.434 2.239 20 0 DEADHO CCOC(=O)C1([C@@H](C)N[C@@H](C)c2cncc(F)c2)CC[NH2+]CC1 ZINC000423035275 528610210 /nfs/dbraw/zinc/61/02/10/528610210.db2.gz RKZMUCNZYMRTQB-QWHCGFSZSA-N 1 3 323.412 2.193 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)c1ccco1 ZINC000418171006 529182668 /nfs/dbraw/zinc/18/26/68/529182668.db2.gz TVKOQENVTTZMSI-ZQDZILKHSA-N 1 3 322.453 2.088 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000417706888 529272888 /nfs/dbraw/zinc/27/28/88/529272888.db2.gz UMOWFDOVFURUCA-ARFHVFGLSA-N 1 3 310.486 2.068 20 0 DEADHO CC(C)C[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)N1CCOCC1 ZINC000249310519 535312679 /nfs/dbraw/zinc/31/26/79/535312679.db2.gz LNHYANPRGUNQJQ-BSDSXHPESA-N 1 3 311.514 2.052 20 0 DEADHO CC(C)C[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)N1CCOCC1 ZINC000249310519 535312683 /nfs/dbraw/zinc/31/26/83/535312683.db2.gz LNHYANPRGUNQJQ-BSDSXHPESA-N 1 3 311.514 2.052 20 0 DEADHO CCC[NH+](CCC)CCCC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000346307832 535321204 /nfs/dbraw/zinc/32/12/04/535321204.db2.gz DTCOEBLAJHNBKQ-SFHVURJKSA-N 1 3 309.498 2.443 20 0 DEADHO CCN1CCC[C@H](NC(=O)N(C)CC[NH+](C(C)C)C(C)C)C1 ZINC000355920445 535574424 /nfs/dbraw/zinc/57/44/24/535574424.db2.gz GOGFIPOXTOHUBI-INIZCTEOSA-N 1 3 312.502 2.231 20 0 DEADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cc(F)cc(OC)c2)CC1 ZINC000449132150 535707745 /nfs/dbraw/zinc/70/77/45/535707745.db2.gz SFTVGFIWSSLDFU-HNNXBMFYSA-N 1 3 323.456 2.198 20 0 DEADHO CN(C)CCOc1ccc(NC(=O)[C@H]2CCCCC[NH2+]2)cc1 ZINC000316117691 535909210 /nfs/dbraw/zinc/90/92/10/535909210.db2.gz IZOXPSMYFIAFFI-MRXNPFEDSA-N 1 3 305.422 2.098 20 0 DEADHO C[NH+](C)CCSCCCN1CCN(c2ccccc2)CC1 ZINC000349230684 535919535 /nfs/dbraw/zinc/91/95/35/535919535.db2.gz AXHJLWKARPGUQB-UHFFFAOYSA-N 1 3 307.507 2.494 20 0 DEADHO CN(C)C(=O)c1cccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357093625 536103077 /nfs/dbraw/zinc/10/30/77/536103077.db2.gz WYTRVKXLJQTZLE-SFHVURJKSA-N 1 3 315.461 2.210 20 0 DEADHO CCc1nc2c(s1)[C@@H]([NH2+]CC1(O)CCN(C)CC1)CCC2 ZINC000361880330 536155860 /nfs/dbraw/zinc/15/58/60/536155860.db2.gz LULNWQGMWMUTHD-LBPRGKRZSA-N 1 3 309.479 2.129 20 0 DEADHO CN1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000368534153 536341970 /nfs/dbraw/zinc/34/19/70/536341970.db2.gz KFZGRDIKMLSHED-KRWDZBQOSA-N 1 3 322.497 2.177 20 0 DEADHO CN1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000368534153 536341972 /nfs/dbraw/zinc/34/19/72/536341972.db2.gz KFZGRDIKMLSHED-KRWDZBQOSA-N 1 3 322.497 2.177 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]CC1CC1)C1CC1 ZINC001379015013 1152532331 /nfs/dbraw/zinc/53/23/31/1152532331.db2.gz OJOAWDKPPAESOS-IAGOWNOFSA-N 1 3 307.482 2.096 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001368743284 1148632105 /nfs/dbraw/zinc/63/21/05/1148632105.db2.gz NGXSTMVROQDIMK-WMLDXEAASA-N 1 3 323.456 2.396 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCCOc1ccccc1 ZINC001327771370 1148641533 /nfs/dbraw/zinc/64/15/33/1148641533.db2.gz AWDHXTHUESAEOY-MRXNPFEDSA-N 1 3 318.465 2.444 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC001379321729 1152608089 /nfs/dbraw/zinc/60/80/89/1152608089.db2.gz JENFGNVYVVMYHX-CRAIPNDOSA-N 1 3 317.477 2.451 20 0 DEADHO Cc1ccc(C)c(C[NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001379463533 1152628635 /nfs/dbraw/zinc/62/86/35/1152628635.db2.gz FBYQTEZDJKXEIQ-MRXNPFEDSA-N 1 3 305.466 2.238 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001379505704 1152634457 /nfs/dbraw/zinc/63/44/57/1152634457.db2.gz DVVXRMLFARZGMA-UONOGXRCSA-N 1 3 301.450 2.093 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CC(F)(F)C1 ZINC001379511326 1152635034 /nfs/dbraw/zinc/63/50/34/1152635034.db2.gz RZALMRACSMKRDT-JSGCOSHPSA-N 1 3 317.424 2.000 20 0 DEADHO CCN1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001379653383 1152665840 /nfs/dbraw/zinc/66/58/40/1152665840.db2.gz SVAUBCQUTDLWJR-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824578789 609167577 /nfs/dbraw/zinc/16/75/77/609167577.db2.gz WGCZJPDSQIAIQH-ZDUSSCGKSA-N 1 3 314.437 2.249 20 0 DEADHO C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824578789 609167579 /nfs/dbraw/zinc/16/75/79/609167579.db2.gz WGCZJPDSQIAIQH-ZDUSSCGKSA-N 1 3 314.437 2.249 20 0 DEADHO CCC(CC)C[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001381095763 1152906946 /nfs/dbraw/zinc/90/69/46/1152906946.db2.gz IDOMJEAHJTYGJX-ZBFHGGJFSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001381299156 1152995095 /nfs/dbraw/zinc/99/50/95/1152995095.db2.gz SBHHHPMRYFXAHI-HOTGVXAUSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001381299156 1152995105 /nfs/dbraw/zinc/99/51/05/1152995105.db2.gz SBHHHPMRYFXAHI-HOTGVXAUSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N(C)[C@H](C[NH2+]CC1CCCC1)C1CC1)N(C)C ZINC001382038288 1153326822 /nfs/dbraw/zinc/32/68/22/1153326822.db2.gz YTFHSGIEAMYAFU-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC001382164857 1153385050 /nfs/dbraw/zinc/38/50/50/1153385050.db2.gz KHJPXQWOQKCBAE-AWEZNQCLSA-N 1 3 309.429 2.102 20 0 DEADHO C(C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1)COC1CCOCC1 ZINC000925579576 625405403 /nfs/dbraw/zinc/40/54/03/625405403.db2.gz FQPRKHCOAMQNFN-ZWKOTPCHSA-N 1 3 310.482 2.330 20 0 DEADHO CC1(C)[C@@H](NC[C@H](O)CCc2ccccc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925648787 625503718 /nfs/dbraw/zinc/50/37/18/625503718.db2.gz XWIWQYUCFQXJSL-BDXSIMOUSA-N 1 3 302.462 2.346 20 0 DEADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@H](O)CCc1ccccc1 ZINC000925648787 625503725 /nfs/dbraw/zinc/50/37/25/625503725.db2.gz XWIWQYUCFQXJSL-BDXSIMOUSA-N 1 3 302.462 2.346 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]Cc2ccsc2)C1)N(C)C ZINC001024039439 625555136 /nfs/dbraw/zinc/55/51/36/625555136.db2.gz WKESJTWRGOYUTN-GDBMZVCRSA-N 1 3 323.506 2.417 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(CC=C(C)C)C1 ZINC000969792804 622922921 /nfs/dbraw/zinc/92/29/21/622922921.db2.gz LPEXLEMFBDAHNE-WBVHZDCISA-N 1 3 307.482 2.264 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(CC=C(C)C)C1 ZINC000969792804 622922922 /nfs/dbraw/zinc/92/29/22/622922922.db2.gz LPEXLEMFBDAHNE-WBVHZDCISA-N 1 3 307.482 2.264 20 0 DEADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1)c1ccccc1 ZINC001020586002 622925312 /nfs/dbraw/zinc/92/53/12/622925312.db2.gz BZNGZRULYHEAEQ-CYGHRXIMSA-N 1 3 315.461 2.469 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CCc2cccs2)C1 ZINC001020587581 622926001 /nfs/dbraw/zinc/92/60/01/622926001.db2.gz MAWKAJAWFNJLKT-RBSFLKMASA-N 1 3 321.490 2.012 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@H](C[NH2+]CC3CCCC3)C2)C1 ZINC001024156763 625641514 /nfs/dbraw/zinc/64/15/14/625641514.db2.gz SVTUDRUAOSZVFY-FUHWJXTLSA-N 1 3 321.509 2.347 20 0 DEADHO CC1(C)CCN(CC(=O)N2CCC[C@@H](C[NH2+]CC3CCC3)C2)C1 ZINC001024156109 625641557 /nfs/dbraw/zinc/64/15/57/625641557.db2.gz IIZFSGHTEGOCJW-KRWDZBQOSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001024156400 625641028 /nfs/dbraw/zinc/64/10/28/625641028.db2.gz MTKKUWMYAWQBRB-WMZOPIPTSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCC2CC2)C1 ZINC000970528170 623520836 /nfs/dbraw/zinc/52/08/36/623520836.db2.gz CHPMDGJFTVVSDT-QAPCUYQASA-N 1 3 321.509 2.486 20 0 DEADHO C[C@H]1CCCN1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001021380813 623578547 /nfs/dbraw/zinc/57/85/47/623578547.db2.gz WULXFDGDRMULED-MIGBEJBISA-N 1 3 319.493 2.382 20 0 DEADHO C[C@H]1CCCN1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001021380813 623578551 /nfs/dbraw/zinc/57/85/51/623578551.db2.gz WULXFDGDRMULED-MIGBEJBISA-N 1 3 319.493 2.382 20 0 DEADHO C[C@H]1C[C@@H](Nc2ccncc2CO)CC[N@@H+]1Cc1ccccc1 ZINC000892845218 625661350 /nfs/dbraw/zinc/66/13/50/625661350.db2.gz AZGFIGAUVOTIQV-YJBOKZPZSA-N 1 3 311.429 2.461 20 0 DEADHO C[C@H]1C[C@@H](Nc2ccncc2CO)CC[N@H+]1Cc1ccccc1 ZINC000892845218 625661353 /nfs/dbraw/zinc/66/13/53/625661353.db2.gz AZGFIGAUVOTIQV-YJBOKZPZSA-N 1 3 311.429 2.461 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)C ZINC001021447265 623633470 /nfs/dbraw/zinc/63/34/70/623633470.db2.gz FWCFVSIWERXNPR-MQVJKMGUSA-N 1 3 318.465 2.418 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C ZINC001021447265 623633473 /nfs/dbraw/zinc/63/34/73/623633473.db2.gz FWCFVSIWERXNPR-MQVJKMGUSA-N 1 3 318.465 2.418 20 0 DEADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)c1ccc(F)cc1 ZINC000970719624 623641725 /nfs/dbraw/zinc/64/17/25/623641725.db2.gz JSTHSTWJRAHVEL-WMLDXEAASA-N 1 3 319.424 2.173 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC000970800473 623689419 /nfs/dbraw/zinc/68/94/19/623689419.db2.gz PPIWUJOBOKGDDZ-IAGOWNOFSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NCCC(C)(C)[NH3+] ZINC000892861213 625669852 /nfs/dbraw/zinc/66/98/52/625669852.db2.gz QRODIKHWDYPSMR-UHFFFAOYSA-N 1 3 324.444 2.026 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1 ZINC001026726270 625689795 /nfs/dbraw/zinc/68/97/95/625689795.db2.gz UZCDUIGNBOODEL-ZWKOTPCHSA-N 1 3 315.461 2.027 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1C[C@H]([NH3+])C1)c1ccsc1 ZINC000891349414 624047280 /nfs/dbraw/zinc/04/72/80/624047280.db2.gz VBXORYHSLLHYAG-QEJZJMRPSA-N 1 3 324.494 2.168 20 0 DEADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000891475186 624211133 /nfs/dbraw/zinc/21/11/33/624211133.db2.gz CZLZMDANJFDIGS-WBVHZDCISA-N 1 3 318.465 2.073 20 0 DEADHO C[C@@H]1CCC[N@H+]1CCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000891475186 624211134 /nfs/dbraw/zinc/21/11/34/624211134.db2.gz CZLZMDANJFDIGS-WBVHZDCISA-N 1 3 318.465 2.073 20 0 DEADHO CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001022711465 624863942 /nfs/dbraw/zinc/86/39/42/624863942.db2.gz YXAVFJKSTVFIPR-VBQJREDUSA-N 1 3 313.461 2.092 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CC3CCCC3)C2)C1 ZINC000972336482 624933683 /nfs/dbraw/zinc/93/36/83/624933683.db2.gz XQBJKULEHOCSKH-NVXWUHKLSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CC3CCCC3)C2)C1 ZINC000972336482 624933685 /nfs/dbraw/zinc/93/36/85/624933685.db2.gz XQBJKULEHOCSKH-NVXWUHKLSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]Cc2cn3ccnc3s2)C[C@@H](C)O1 ZINC000893039557 625071921 /nfs/dbraw/zinc/07/19/21/625071921.db2.gz YOSBQLKFTSSVFP-ZIAGYGMSSA-N 1 3 322.478 2.375 20 0 DEADHO CC(C)CCN1CCC([NH2+]CC2(C3(O)CCOCC3)CC2)CC1 ZINC000926897999 625090105 /nfs/dbraw/zinc/09/01/05/625090105.db2.gz OQDWYBSDDIPFON-UHFFFAOYSA-N 1 3 324.509 2.408 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001023024603 625138541 /nfs/dbraw/zinc/13/85/41/625138541.db2.gz ARBREUTXVMJGSD-WQVCFCJDSA-N 1 3 312.417 2.259 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC001026148597 625155386 /nfs/dbraw/zinc/15/53/86/625155386.db2.gz RLOWGAVTMAILAB-YXISZKLHSA-N 1 3 321.509 2.342 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001026148597 625155390 /nfs/dbraw/zinc/15/53/90/625155390.db2.gz RLOWGAVTMAILAB-YXISZKLHSA-N 1 3 321.509 2.342 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001023401984 625254206 /nfs/dbraw/zinc/25/42/06/625254206.db2.gz CKMFQGVDGPIFCT-QZTJIDSGSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001023401984 625254209 /nfs/dbraw/zinc/25/42/09/625254209.db2.gz CKMFQGVDGPIFCT-QZTJIDSGSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1C[C@@H](Nc2ccc(N3CCN(C)CC3)cc2)CC[N@@H+]1C ZINC000182633178 625269169 /nfs/dbraw/zinc/26/91/69/625269169.db2.gz RQVFJRRZEBOTJW-WBVHZDCISA-N 1 3 302.466 2.333 20 0 DEADHO C[C@@H]1C[C@@H](Nc2ccc(N3CCN(C)CC3)cc2)CC[N@H+]1C ZINC000182633178 625269172 /nfs/dbraw/zinc/26/91/72/625269172.db2.gz RQVFJRRZEBOTJW-WBVHZDCISA-N 1 3 302.466 2.333 20 0 DEADHO CCOC(=O)c1ncc(CNCC2CC[NH+](CC)CC2)s1 ZINC000892939534 625742118 /nfs/dbraw/zinc/74/21/18/625742118.db2.gz ROTMDBGSIUHSIV-UHFFFAOYSA-N 1 3 311.451 2.141 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC(C)C)C1 ZINC001027695261 634450397 /nfs/dbraw/zinc/45/03/97/634450397.db2.gz PFXZDSXSOJMFOM-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC(C)C)C1 ZINC001027695261 634450398 /nfs/dbraw/zinc/45/03/98/634450398.db2.gz PFXZDSXSOJMFOM-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC000979085901 634495598 /nfs/dbraw/zinc/49/55/98/634495598.db2.gz GQXKOVHIDMMLQA-NNZMDNLPSA-N 1 3 315.461 2.066 20 0 DEADHO CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC000979085901 634495601 /nfs/dbraw/zinc/49/56/01/634495601.db2.gz GQXKOVHIDMMLQA-NNZMDNLPSA-N 1 3 315.461 2.066 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(C)Cc2ccccc2C1 ZINC000093887492 634550399 /nfs/dbraw/zinc/55/03/99/634550399.db2.gz VZBIPHVNLKBBTN-QGZVFWFLSA-N 1 3 314.477 2.180 20 0 DEADHO COC(=O)c1cc(CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)n(C)c1C ZINC000925764744 634769021 /nfs/dbraw/zinc/76/90/21/634769021.db2.gz AXOTUDSPGCTALM-QWHCGFSZSA-N 1 3 307.438 2.116 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCC2CC2)C(C)(C)C1 ZINC000995800236 633119297 /nfs/dbraw/zinc/11/92/97/633119297.db2.gz WXFTULDJUYHCIK-IRXDYDNUSA-N 1 3 321.509 2.486 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCC2CC2)C(C)(C)C1 ZINC000995873848 633132311 /nfs/dbraw/zinc/13/23/11/633132311.db2.gz RXPLKGKPBYEIMR-IRXDYDNUSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CC2CCCC2)C(C)(C)C1)C1CC1 ZINC000995892913 633134692 /nfs/dbraw/zinc/13/46/92/633134692.db2.gz GLZBRZHJPQFJGF-IAGOWNOFSA-N 1 3 321.509 2.343 20 0 DEADHO CN(C)C1(C(=O)N2C[C@@H]([NH2+]CC3CCC3)C(C)(C)C2)CCC1 ZINC000995883583 633137398 /nfs/dbraw/zinc/13/73/98/633137398.db2.gz CMLGSUZMASNQPQ-OAHLLOKOSA-N 1 3 307.482 2.097 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC2CC2)CC1 ZINC000997127026 633613276 /nfs/dbraw/zinc/61/32/76/633613276.db2.gz IMNNQPUXRCWHOI-QAPCUYQASA-N 1 3 321.509 2.488 20 0 DEADHO CCN(C(=O)[C@@H]1CCCN1C)[C@@H]1CCC[N@H+](CCCF)CC1 ZINC000997947211 634072388 /nfs/dbraw/zinc/07/23/88/634072388.db2.gz ASEQYXSKELUQLJ-CVEARBPZSA-N 1 3 313.461 2.143 20 0 DEADHO CCN(C(=O)[C@@H]1CCCN1C)[C@@H]1CCC[N@@H+](CCCF)CC1 ZINC000997947211 634072394 /nfs/dbraw/zinc/07/23/94/634072394.db2.gz ASEQYXSKELUQLJ-CVEARBPZSA-N 1 3 313.461 2.143 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[NH2+]CC2CCC2)CC1 ZINC000998083009 634136018 /nfs/dbraw/zinc/13/60/18/634136018.db2.gz SNSCYJYSLZDZTH-OAHLLOKOSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([N@H+](C)CC3CCCC3)C2)C1 ZINC001027575926 634182528 /nfs/dbraw/zinc/18/25/28/634182528.db2.gz GQGKVQTVGQRWCX-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([N@@H+](C)CC3CCCC3)C2)C1 ZINC001027575926 634182530 /nfs/dbraw/zinc/18/25/30/634182530.db2.gz GQGKVQTVGQRWCX-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO C[N@H+](CCC1CCCC1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594931 634239345 /nfs/dbraw/zinc/23/93/45/634239345.db2.gz QYXXPCJGQKGJDW-QGZVFWFLSA-N 1 3 318.465 2.455 20 0 DEADHO C[N@@H+](CCC1CCCC1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594931 634239349 /nfs/dbraw/zinc/23/93/49/634239349.db2.gz QYXXPCJGQKGJDW-QGZVFWFLSA-N 1 3 318.465 2.455 20 0 DEADHO C[N@H+](CCC1CCCC1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406945 634988762 /nfs/dbraw/zinc/98/87/62/634988762.db2.gz TYLPWMTWGFSZGZ-KRWDZBQOSA-N 1 3 307.482 2.195 20 0 DEADHO C[N@@H+](CCC1CCCC1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406945 634988763 /nfs/dbraw/zinc/98/87/63/634988763.db2.gz TYLPWMTWGFSZGZ-KRWDZBQOSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@H]1C[C@H](C[NH2+]CC2CCCC2)CN1C(=O)CN(C)C1CCC1 ZINC000980607590 635060898 /nfs/dbraw/zinc/06/08/98/635060898.db2.gz RYPXBMSDRDLGGO-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1C[C@@H](C[NH2+]CC2CC(C)(C)C2)CN1C(=O)CN1CCCC1 ZINC000980798658 635156359 /nfs/dbraw/zinc/15/63/59/635156359.db2.gz CSNRQVVHHOMFRK-CVEARBPZSA-N 1 3 321.509 2.345 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[N@H+](CC2CC(C)C2)CC1 ZINC000981282672 635421215 /nfs/dbraw/zinc/42/12/15/635421215.db2.gz ITGWTQKQNSDPMG-DAWZGUTISA-N 1 3 321.509 2.441 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[N@@H+](CC2CC(C)C2)CC1 ZINC000981282672 635421218 /nfs/dbraw/zinc/42/12/18/635421218.db2.gz ITGWTQKQNSDPMG-DAWZGUTISA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(CC[C@H](C)F)CC1 ZINC000981283185 635421643 /nfs/dbraw/zinc/42/16/43/635421643.db2.gz ONJJVOMSFJWQIY-HOTGVXAUSA-N 1 3 313.461 2.143 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCCN(CC[C@H](C)F)CC1 ZINC000981283185 635421646 /nfs/dbraw/zinc/42/16/46/635421646.db2.gz ONJJVOMSFJWQIY-HOTGVXAUSA-N 1 3 313.461 2.143 20 0 DEADHO CCO[C@@H](CC[NH+](C)C)CNCc1nccc2c1CCCC2 ZINC000921827656 635432101 /nfs/dbraw/zinc/43/21/01/635432101.db2.gz OUBHIDUEQFDLCM-INIZCTEOSA-N 1 3 305.466 2.407 20 0 DEADHO CCCCN1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000981525641 635516176 /nfs/dbraw/zinc/51/61/76/635516176.db2.gz PQGOTLOUQFHXLU-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CCCCN1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000981525641 635516178 /nfs/dbraw/zinc/51/61/78/635516178.db2.gz PQGOTLOUQFHXLU-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@]1(CNc2ccncc2CO)CC[N@H+](Cc2ccccc2)C1 ZINC000893665224 635744106 /nfs/dbraw/zinc/74/41/06/635744106.db2.gz IGXHEDOHXOLFJM-IBGZPJMESA-N 1 3 311.429 2.320 20 0 DEADHO C[C@@]1(CNc2ccncc2CO)CC[N@@H+](Cc2ccccc2)C1 ZINC000893665224 635744109 /nfs/dbraw/zinc/74/41/09/635744109.db2.gz IGXHEDOHXOLFJM-IBGZPJMESA-N 1 3 311.429 2.320 20 0 DEADHO CCS(=O)(=O)c1ccccc1CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000925833913 635832283 /nfs/dbraw/zinc/83/22/83/635832283.db2.gz LMFQQPLFDQBVTC-HZPDHXFCSA-N 1 3 324.490 2.272 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000929263733 635871323 /nfs/dbraw/zinc/87/13/23/635871323.db2.gz OGHKQTFFZXZSDI-SJORKVTESA-N 1 3 303.450 2.278 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000929263733 635871331 /nfs/dbraw/zinc/87/13/31/635871331.db2.gz OGHKQTFFZXZSDI-SJORKVTESA-N 1 3 303.450 2.278 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cccnc3)C2)[C@@H]1C(C)C ZINC000922392615 636154830 /nfs/dbraw/zinc/15/48/30/636154830.db2.gz MQEIRSFFIKNFAP-ZJPYXAASSA-N 1 3 303.450 2.041 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cccnc3)C2)[C@@H]1C(C)C ZINC000922392615 636154833 /nfs/dbraw/zinc/15/48/33/636154833.db2.gz MQEIRSFFIKNFAP-ZJPYXAASSA-N 1 3 303.450 2.041 20 0 DEADHO CC[C@@H](C)N[C@H](CNC(=O)NCC1([NH+](C)C)CC1)c1ccco1 ZINC000922423805 636166434 /nfs/dbraw/zinc/16/64/34/636166434.db2.gz IONAQMHLLLTQJX-ZIAGYGMSSA-N 1 3 322.453 2.102 20 0 DEADHO CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982553695 636262276 /nfs/dbraw/zinc/26/22/76/636262276.db2.gz PANALZLGGCUMED-QRQLOZEOSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982553695 636262279 /nfs/dbraw/zinc/26/22/79/636262279.db2.gz PANALZLGGCUMED-QRQLOZEOSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH]cn3)C[C@@]2(C)C1 ZINC000982598790 636302271 /nfs/dbraw/zinc/30/22/71/636302271.db2.gz KYSQEJNKGGMRAQ-HDICACEKSA-N 1 3 318.465 2.169 20 0 DEADHO CC(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH]cn3)C[C@@]2(C)C1 ZINC000982598790 636302274 /nfs/dbraw/zinc/30/22/74/636302274.db2.gz KYSQEJNKGGMRAQ-HDICACEKSA-N 1 3 318.465 2.169 20 0 DEADHO F[C@H]1CC2(CC[C@H]1[NH2+]C1CC(N3CCCCC3)C1)OCCO2 ZINC000894170983 636381801 /nfs/dbraw/zinc/38/18/01/636381801.db2.gz CGJDGPQKGWSOMI-SSHXOBKSSA-N 1 3 312.429 2.227 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000927773345 636386541 /nfs/dbraw/zinc/38/65/41/636386541.db2.gz IQERRWQQUDMESV-IXDOHACOSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2CCN(C(=O)CN(C)C3CCC3)CC[C@@H]2C1 ZINC000946623558 636475497 /nfs/dbraw/zinc/47/54/97/636475497.db2.gz MFEQGQUDBUBXBJ-CALCHBBNSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)C3CCC3)CC[C@@H]2C1 ZINC000946623558 636475499 /nfs/dbraw/zinc/47/54/99/636475499.db2.gz MFEQGQUDBUBXBJ-CALCHBBNSA-N 1 3 321.509 2.297 20 0 DEADHO CN1CCN(CC[NH2+]C[C@H]2CCc3ccccc32)CC1(C)C ZINC000894253498 636573997 /nfs/dbraw/zinc/57/39/97/636573997.db2.gz KIMPHOCDHUFMPN-QGZVFWFLSA-N 1 3 301.478 2.332 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N(C)C1CC[NH+](CCC2CC2)CC1 ZINC001005991811 637046911 /nfs/dbraw/zinc/04/69/11/637046911.db2.gz OZLMHQMLPRKPQW-OAHLLOKOSA-N 1 3 307.482 2.194 20 0 DEADHO Cc1ccc([C@@H]2CSCCN2C[C@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923316564 637107117 /nfs/dbraw/zinc/10/71/17/637107117.db2.gz PCEJLPVYULCJIR-SJORKVTESA-N 1 3 318.486 2.463 20 0 DEADHO CCN(C[C@H](O)COc1ccccc1C)[C@H]1CCC[NH2+]CC1 ZINC000923337273 637123441 /nfs/dbraw/zinc/12/34/41/637123441.db2.gz YDWXSRAZCREHHR-IRXDYDNUSA-N 1 3 306.450 2.199 20 0 DEADHO Cc1cc(C)cc(OC[C@H](O)CN2CCCC[C@H]2CC[NH3+])c1 ZINC000923354126 637134785 /nfs/dbraw/zinc/13/47/85/637134785.db2.gz QNSUQNFOHSRRIK-DLBZAZTESA-N 1 3 306.450 2.246 20 0 DEADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC[C@@H](COc3ccccc3Cl)C2)C1 ZINC000923371133 637140869 /nfs/dbraw/zinc/14/08/69/637140869.db2.gz PLSJGSRPXNWNJZ-VRKREXBASA-N 1 3 324.852 2.281 20 0 DEADHO C[C@@H](NC(=O)[C@@H](C)N1CC[C@@H](C[NH3+])[C@H](C)C1)c1ccccc1 ZINC000923487761 637201572 /nfs/dbraw/zinc/20/15/72/637201572.db2.gz BLNISIPDVAOYOV-ANQUJSFKSA-N 1 3 303.450 2.169 20 0 DEADHO [NH3+]CC[C@H]1CCN(CCOc2ccccc2Br)C1 ZINC000923481593 637203926 /nfs/dbraw/zinc/20/39/26/637203926.db2.gz SDSBZCUGISRFGH-LBPRGKRZSA-N 1 3 313.239 2.499 20 0 DEADHO C[C@@H]1CN([C@H]2CCCN(c3cccc(F)c3)C2=O)CC[C@@H]1C[NH3+] ZINC000923495409 637206919 /nfs/dbraw/zinc/20/69/19/637206919.db2.gz CADXQOZGRZMUBO-CPUCHLNUSA-N 1 3 319.424 2.238 20 0 DEADHO CCOc1ccc(NC(=O)[C@@H](C)N2CC[C@H](CC[NH3+])C2)cc1 ZINC000923489520 637208589 /nfs/dbraw/zinc/20/85/89/637208589.db2.gz YHZLDKVABKUOAD-KGLIPLIRSA-N 1 3 305.422 2.083 20 0 DEADHO C[C@H](C(=O)NCc1ccccc1Cl)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923501016 637217923 /nfs/dbraw/zinc/21/79/23/637217923.db2.gz QTEQIHSJEACVSJ-MGPQQGTHSA-N 1 3 323.868 2.261 20 0 DEADHO C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923501592 637219127 /nfs/dbraw/zinc/21/91/27/637219127.db2.gz TZFWBTVXPWFWQX-YCPHGPKFSA-N 1 3 321.440 2.262 20 0 DEADHO CC(C)N1CC[C@H](N2CCC([C@@H]3CCC[NH2+]CC3)CC2)C1=O ZINC000923505614 637221034 /nfs/dbraw/zinc/22/10/34/637221034.db2.gz OLCRHEZXHQPYNE-WBVHZDCISA-N 1 3 307.482 2.097 20 0 DEADHO CSc1ccccc1NC(=O)CCN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923520279 637226935 /nfs/dbraw/zinc/22/69/35/637226935.db2.gz QTTMDORYOUYHHR-UONOGXRCSA-N 1 3 319.474 2.278 20 0 DEADHO [NH3+]CCCCCCN1C[C@@H](C[C@@H]2COCCN2)c2ccccc21 ZINC000923538718 637237597 /nfs/dbraw/zinc/23/75/97/637237597.db2.gz AUAOCYWFKMTGGU-IAGOWNOFSA-N 1 3 317.477 2.488 20 0 DEADHO COCCN(Cc1cn2ccnc2s1)CC1CC[NH+](C)CC1 ZINC000895691606 638146639 /nfs/dbraw/zinc/14/66/39/638146639.db2.gz IUFTYXODSWRAFE-UHFFFAOYSA-N 1 3 322.478 2.186 20 0 DEADHO COC(=O)[C@H]1[C@@H](CN(C)CCCC[NH+]2CCCCC2)C1(F)F ZINC000895683453 638149529 /nfs/dbraw/zinc/14/95/29/638149529.db2.gz LQSWZSFADXXBFU-ZIAGYGMSSA-N 1 3 318.408 2.239 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1)N(C)C ZINC001029458666 638243218 /nfs/dbraw/zinc/24/32/18/638243218.db2.gz AODSSHJNKNKEMK-FGTMMUONSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1)N(C)C ZINC001029458666 638243222 /nfs/dbraw/zinc/24/32/22/638243222.db2.gz AODSSHJNKNKEMK-FGTMMUONSA-N 1 3 321.509 2.438 20 0 DEADHO C[NH+]1CCC(NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000749129235 638617592 /nfs/dbraw/zinc/61/75/92/638617592.db2.gz XATXJDXGMRMBNB-CQSZACIVSA-N 1 3 318.339 2.302 20 0 DEADHO CC(C)CN(CCN(C)C)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841287994 650469790 /nfs/dbraw/zinc/46/97/90/650469790.db2.gz MDFNVRLMAOERNL-UHFFFAOYSA-N 1 3 322.453 2.076 20 0 DEADHO Cc1cc(N2CCN(C)CC[N@@H+](C)CC2)c2cc(F)ccc2n1 ZINC000897099278 639178689 /nfs/dbraw/zinc/17/86/89/639178689.db2.gz YGTUBBMYMMWKEN-UHFFFAOYSA-N 1 3 316.424 2.366 20 0 DEADHO Cc1cc(N2CCN(C)CC[N@H+](C)CC2)c2cc(F)ccc2n1 ZINC000897099278 639178693 /nfs/dbraw/zinc/17/86/93/639178693.db2.gz YGTUBBMYMMWKEN-UHFFFAOYSA-N 1 3 316.424 2.366 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](C)CC2CC(C)(C)C2)CC1 ZINC000985332485 639286363 /nfs/dbraw/zinc/28/63/63/639286363.db2.gz PWYRGAUZUJLXDC-QGZVFWFLSA-N 1 3 321.509 2.440 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)CC2CC(C)(C)C2)CC1 ZINC000985332485 639286366 /nfs/dbraw/zinc/28/63/66/639286366.db2.gz PWYRGAUZUJLXDC-QGZVFWFLSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001029595715 639330482 /nfs/dbraw/zinc/33/04/82/639330482.db2.gz NRHFSITZLVMOEL-LVYXFOGZSA-N 1 3 319.493 2.335 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001029595715 639330490 /nfs/dbraw/zinc/33/04/90/639330490.db2.gz NRHFSITZLVMOEL-LVYXFOGZSA-N 1 3 319.493 2.335 20 0 DEADHO C[C@H]([NH2+]CCCN1CCOC1=O)[C@H]1CCCN(C2CCC2)C1 ZINC000754464983 639432711 /nfs/dbraw/zinc/43/27/11/639432711.db2.gz PDMLYTISMVWKRG-GJZGRUSLSA-N 1 3 309.454 2.071 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC([N@H+](C)CCC3CC3)CC2)C1 ZINC000985652370 639564991 /nfs/dbraw/zinc/56/49/91/639564991.db2.gz FCXFYAWNFRYAEC-OAHLLOKOSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC([N@@H+](C)CCC3CC3)CC2)C1 ZINC000985652370 639564993 /nfs/dbraw/zinc/56/49/93/639564993.db2.gz FCXFYAWNFRYAEC-OAHLLOKOSA-N 1 3 307.482 2.051 20 0 DEADHO O=C([C@H]1CCN1C1CCCC1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889821184 639598236 /nfs/dbraw/zinc/59/82/36/639598236.db2.gz HADFSYCORWGHHV-QGZVFWFLSA-N 1 3 305.466 2.136 20 0 DEADHO C[C@H]1[C@@H]([NH2+]Cc2ccccc2)CCN1C(=O)CN(C)C1CCC1 ZINC000986358231 639886499 /nfs/dbraw/zinc/88/64/99/639886499.db2.gz XKJQFXIROZMWHF-YJBOKZPZSA-N 1 3 315.461 2.250 20 0 DEADHO C[C@@H]1[C@H]([NH2+]CCC2CC2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986938927 640016608 /nfs/dbraw/zinc/01/66/08/640016608.db2.gz LTVZEEGQHZNWKO-GDBMZVCRSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC000987527776 640210671 /nfs/dbraw/zinc/21/06/71/640210671.db2.gz WTINGQLEOJDYKY-WMZOPIPTSA-N 1 3 315.461 2.170 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CN1CCCC1 ZINC000987534770 640214574 /nfs/dbraw/zinc/21/45/74/640214574.db2.gz WKUCEWFXUVLVAA-HOCLYGCPSA-N 1 3 307.482 2.097 20 0 DEADHO CCCC[C@@H](C[NH3+])NC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000841848840 650578753 /nfs/dbraw/zinc/57/87/53/650578753.db2.gz XWLGOJOJMFCIIM-STQMWFEESA-N 1 3 312.845 2.067 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)NCCC[C@@H]2CCC[NH2+]2)cc(Cl)n1 ZINC000841853214 650579870 /nfs/dbraw/zinc/57/98/70/650579870.db2.gz YHZLBOGFFCNWLI-KBPBESRZSA-N 1 3 324.856 2.082 20 0 DEADHO CCOCOc1ccc(C[N@@H+]2C[C@@H]3CN(C)C[C@]3(C)C2)cc1 ZINC000897621929 640872580 /nfs/dbraw/zinc/87/25/80/640872580.db2.gz ZLUWFOLAUWFKBS-FUHWJXTLSA-N 1 3 304.434 2.443 20 0 DEADHO CCOCOc1ccc(C[N@H+]2C[C@@H]3CN(C)C[C@]3(C)C2)cc1 ZINC000897621929 640872582 /nfs/dbraw/zinc/87/25/82/640872582.db2.gz ZLUWFOLAUWFKBS-FUHWJXTLSA-N 1 3 304.434 2.443 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001014395296 641139503 /nfs/dbraw/zinc/13/95/03/641139503.db2.gz IQABITQBCWSGFV-DLBZAZTESA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001014395296 641139505 /nfs/dbraw/zinc/13/95/05/641139505.db2.gz IQABITQBCWSGFV-DLBZAZTESA-N 1 3 321.509 2.486 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC2CCC2)CN1C(=O)CN1CCC(C)CC1 ZINC000989605031 641166086 /nfs/dbraw/zinc/16/60/86/641166086.db2.gz HKBFSKZOHNHVFH-NVXWUHKLSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2)CN1C(=O)CN1CCCC1 ZINC000989797361 641235833 /nfs/dbraw/zinc/23/58/33/641235833.db2.gz XPBBOBCTKAZWBQ-YOEHRIQHSA-N 1 3 319.424 2.001 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC2CC2)CN1C(=O)c1cccc(CN(C)C)c1 ZINC000989826831 641249687 /nfs/dbraw/zinc/24/96/87/641249687.db2.gz UQSWOKJNOCGXTH-RDTXWAMCSA-N 1 3 315.461 2.351 20 0 DEADHO COc1ccc(-c2ccc(C3(O)CNC3)cc2)c(C[NH+](C)C)c1 ZINC000899322867 642029035 /nfs/dbraw/zinc/02/90/35/642029035.db2.gz ANZOUDMHRFUYAR-UHFFFAOYSA-N 1 3 312.413 2.215 20 0 DEADHO CCC1([NH+]2CCC2)CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000899559812 642106833 /nfs/dbraw/zinc/10/68/33/642106833.db2.gz ZQTHTWPRRMLZMR-MRXNPFEDSA-N 1 3 305.466 2.090 20 0 DEADHO CCC[NH+]1CCC(NC[C@@H](O)CC[C@@H](O)c2ccccc2)CC1 ZINC000899861759 642195141 /nfs/dbraw/zinc/19/51/41/642195141.db2.gz XWTNTSVAQXOJFN-RBUKOAKNSA-N 1 3 320.477 2.325 20 0 DEADHO CCC[NH+]1CCC(NC[C@@H](O)CCOCc2ccccc2)CC1 ZINC000899861791 642195325 /nfs/dbraw/zinc/19/53/25/642195325.db2.gz YSWGVIDUCNPGHC-IBGZPJMESA-N 1 3 320.477 2.418 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@]23CCC[C@H]2C[NH2+]C3)c1 ZINC000900488838 642385616 /nfs/dbraw/zinc/38/56/16/642385616.db2.gz QSWQIFUPFDRDBG-YOEHRIQHSA-N 1 3 302.422 2.012 20 0 DEADHO O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1CC[C@H](N2CCCCC2)C1 ZINC000900626935 642426748 /nfs/dbraw/zinc/42/67/48/642426748.db2.gz XMOBVAMHQFZNJO-IKGGRYGDSA-N 1 3 305.466 2.090 20 0 DEADHO O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N1CC[C@H](N2CCCCC2)C1 ZINC000900626935 642426753 /nfs/dbraw/zinc/42/67/53/642426753.db2.gz XMOBVAMHQFZNJO-IKGGRYGDSA-N 1 3 305.466 2.090 20 0 DEADHO O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CC[C@@H](N2CCCCC2)C1 ZINC000900626934 642427073 /nfs/dbraw/zinc/42/70/73/642427073.db2.gz XMOBVAMHQFZNJO-BBWFWOEESA-N 1 3 305.466 2.090 20 0 DEADHO O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1CC[C@@H](N2CCCCC2)C1 ZINC000900626934 642427075 /nfs/dbraw/zinc/42/70/75/642427075.db2.gz XMOBVAMHQFZNJO-BBWFWOEESA-N 1 3 305.466 2.090 20 0 DEADHO COc1ccc([C@H](CO)CN[C@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000902391552 643028080 /nfs/dbraw/zinc/02/80/80/643028080.db2.gz YLOBYNWNRPACCM-HOTGVXAUSA-N 1 3 306.450 2.139 20 0 DEADHO COC[C@@H](CCC[NH3+])NCc1cc(-c2cccc(OC)c2)no1 ZINC000902450320 643045322 /nfs/dbraw/zinc/04/53/22/643045322.db2.gz CQBQNJFXLDGITC-CQSZACIVSA-N 1 3 319.405 2.194 20 0 DEADHO CC(C)CN1CCO[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903057469 643233239 /nfs/dbraw/zinc/23/32/39/643233239.db2.gz CIHOWSLZRPGHMK-DQXYTYHJSA-N 1 3 321.509 2.091 20 0 DEADHO CC(C)CN1CCO[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903057469 643233243 /nfs/dbraw/zinc/23/32/43/643233243.db2.gz CIHOWSLZRPGHMK-DQXYTYHJSA-N 1 3 321.509 2.091 20 0 DEADHO OC[C@H](CCc1ccccc1)NC1CC[NH+](CC2CC2)CC1 ZINC000903288955 643313308 /nfs/dbraw/zinc/31/33/08/643313308.db2.gz FYJNCLHSWRIFCV-IBGZPJMESA-N 1 3 302.462 2.444 20 0 DEADHO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](CCN(C)C)c2cccnc2)C1 ZINC000903376595 643334267 /nfs/dbraw/zinc/33/42/67/643334267.db2.gz FWVHREROLZZUPV-FVQBIDKESA-N 1 3 305.422 2.006 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903385476 643337381 /nfs/dbraw/zinc/33/73/81/643337381.db2.gz XKKCSSJSUWSROD-JLSDUUJJSA-N 1 3 302.466 2.147 20 0 DEADHO C[C@@H]1CN([C@H]2CCCN(c3ccccc3F)C2=O)C[C@H]1CC[NH3+] ZINC000903499198 643365900 /nfs/dbraw/zinc/36/59/00/643365900.db2.gz JJVKSDVNGWTPJE-CPUCHLNUSA-N 1 3 319.424 2.238 20 0 DEADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@@H](C)c1cc(F)ccc1F)C2 ZINC000903492637 643369421 /nfs/dbraw/zinc/36/94/21/643369421.db2.gz IDGYFIYBCFABRZ-ORMQQPANSA-N 1 3 324.371 2.238 20 0 DEADHO Cc1ccc(-c2noc(CN3C[C@@H](C)[C@H](CC[NH3+])C3)n2)cc1 ZINC000903496628 643371208 /nfs/dbraw/zinc/37/12/08/643371208.db2.gz WIHPQYRMNZDRCK-UKRRQHHQSA-N 1 3 300.406 2.462 20 0 DEADHO COc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)cc1 ZINC000903507194 643378039 /nfs/dbraw/zinc/37/80/39/643378039.db2.gz QPEBRTNPOBEQTI-HDICACEKSA-N 1 3 315.461 2.096 20 0 DEADHO COc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)cc1 ZINC000903507194 643378042 /nfs/dbraw/zinc/37/80/42/643378042.db2.gz QPEBRTNPOBEQTI-HDICACEKSA-N 1 3 315.461 2.096 20 0 DEADHO CC[NH+]1CCC(N[C@H](C)c2ccc(N3CCNC3=O)cc2)CC1 ZINC000786785494 643408921 /nfs/dbraw/zinc/40/89/21/643408921.db2.gz YOQFJEGCEWEHTR-CQSZACIVSA-N 1 3 316.449 2.351 20 0 DEADHO CCCCN(C)C(=O)C1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903722979 643440100 /nfs/dbraw/zinc/44/01/00/643440100.db2.gz RFSGQLCZKQSCHH-INIZCTEOSA-N 1 3 309.498 2.347 20 0 DEADHO Fc1cccc(O[C@@H]2CCN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C2)c1 ZINC000903779441 643459420 /nfs/dbraw/zinc/45/94/20/643459420.db2.gz ZJPUVNNLDXCHMM-KURKYZTESA-N 1 3 320.408 2.047 20 0 DEADHO Cc1c(C[C@H](C[NH3+])CN(C)CCc2ccccc2F)cnn1C ZINC000903885972 643497554 /nfs/dbraw/zinc/49/75/54/643497554.db2.gz MWHLRPJQPYNUET-OAHLLOKOSA-N 1 3 318.440 2.160 20 0 DEADHO CS[C@H]1CCCC[N@H+](C[C@H](CN)Cc2cnn(C)c2C)C1 ZINC000903899761 643501518 /nfs/dbraw/zinc/50/15/18/643501518.db2.gz UHNGUKFNCBTXBO-HOCLYGCPSA-N 1 3 310.511 2.063 20 0 DEADHO CS[C@H]1CCCC[N@@H+](C[C@H](CN)Cc2cnn(C)c2C)C1 ZINC000903899761 643501525 /nfs/dbraw/zinc/50/15/25/643501525.db2.gz UHNGUKFNCBTXBO-HOCLYGCPSA-N 1 3 310.511 2.063 20 0 DEADHO CS[C@H]1CCCCN(C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903899761 643501528 /nfs/dbraw/zinc/50/15/28/643501528.db2.gz UHNGUKFNCBTXBO-HOCLYGCPSA-N 1 3 310.511 2.063 20 0 DEADHO Cc1c(C[C@@H](CN)C[NH2+][C@H](C)Cc2cccs2)cnn1C ZINC000903922895 643509246 /nfs/dbraw/zinc/50/92/46/643509246.db2.gz HBBBYYHRLCONOP-OCCSQVGLSA-N 1 3 306.479 2.128 20 0 DEADHO FC1(F)CC[NH2+]C[C@@H]1CNCc1cc(-n2ccnc2)cs1 ZINC000903955724 643529325 /nfs/dbraw/zinc/52/93/25/643529325.db2.gz ASPNLTZJNBSFOW-LLVKDONJSA-N 1 3 312.389 2.268 20 0 DEADHO COC(=O)c1ccc(CN2CCC(OCCC[NH3+])CC2)cc1C ZINC000904301315 643630704 /nfs/dbraw/zinc/63/07/04/643630704.db2.gz KJUDOOOPNXJVCR-UHFFFAOYSA-N 1 3 320.433 2.111 20 0 DEADHO C[C@H](c1ccc(F)cc1F)N1CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904315580 643634121 /nfs/dbraw/zinc/63/41/21/643634121.db2.gz DNMAQKLETWPBDT-NFAWXSAZSA-N 1 3 309.404 2.381 20 0 DEADHO C[C@@H](c1ccc(F)cc1F)N1CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904315576 643634292 /nfs/dbraw/zinc/63/42/92/643634292.db2.gz DNMAQKLETWPBDT-KCQAQPDRSA-N 1 3 309.404 2.381 20 0 DEADHO CC1CC[NH+](C2CCC(NCc3ccc(N)nn3)CC2)CC1 ZINC000904368382 643647770 /nfs/dbraw/zinc/64/77/70/643647770.db2.gz QTZDMFRXOOWXJN-UHFFFAOYSA-N 1 3 303.454 2.192 20 0 DEADHO C[C@H](CNC[C@H](O)CC[C@@H](O)c1ccccc1)C[NH+]1CCCC1 ZINC000905054899 643773752 /nfs/dbraw/zinc/77/37/52/643773752.db2.gz LAWORCGUIRSNDQ-BHIYHBOVSA-N 1 3 320.477 2.183 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@@H](O)CCC2(O)CCC2)C1 ZINC000905181697 643815763 /nfs/dbraw/zinc/81/57/63/643815763.db2.gz ORZBNAJMOKYHJF-IRXDYDNUSA-N 1 3 312.498 2.000 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@@H](O)CCC2(O)CCC2)C1 ZINC000905181697 643815767 /nfs/dbraw/zinc/81/57/67/643815767.db2.gz ORZBNAJMOKYHJF-IRXDYDNUSA-N 1 3 312.498 2.000 20 0 DEADHO C[N@H+](C[C@@H](O)CN[C@H]1C[C@H](c2ccc(F)cc2F)C1)C1CC1 ZINC000905663201 643988385 /nfs/dbraw/zinc/98/83/85/643988385.db2.gz CHSHJVAJTIFZTN-WHOFXGATSA-N 1 3 310.388 2.256 20 0 DEADHO C[N@@H+](C[C@@H](O)CN[C@H]1C[C@H](c2ccc(F)cc2F)C1)C1CC1 ZINC000905663201 643988387 /nfs/dbraw/zinc/98/83/87/643988387.db2.gz CHSHJVAJTIFZTN-WHOFXGATSA-N 1 3 310.388 2.256 20 0 DEADHO Cc1cc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)n(C)n1 ZINC000793529687 644267565 /nfs/dbraw/zinc/26/75/65/644267565.db2.gz TXJVCGUBIXEVEJ-OAGGEKHMSA-N 1 3 308.470 2.269 20 0 DEADHO C[N@@H+]1CC[C@H](NCc2ccc(-n3ccnc3)nc2)[C@H]2CCC[C@@H]21 ZINC000796682003 644775311 /nfs/dbraw/zinc/77/53/11/644775311.db2.gz IXJKARWTRDRATJ-IKGGRYGDSA-N 1 3 311.433 2.230 20 0 DEADHO C[N@H+]1CC[C@H](NCc2ccc(-n3ccnc3)nc2)[C@H]2CCC[C@@H]21 ZINC000796682003 644775319 /nfs/dbraw/zinc/77/53/19/644775319.db2.gz IXJKARWTRDRATJ-IKGGRYGDSA-N 1 3 311.433 2.230 20 0 DEADHO Cc1ccc(N2CC[C@H](N3CCC4(C3)CC[NH2+]CC4)C2=O)cc1 ZINC000843363685 650957771 /nfs/dbraw/zinc/95/77/71/650957771.db2.gz JJVUENOEENZTDM-KRWDZBQOSA-N 1 3 313.445 2.176 20 0 DEADHO O[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1)c1ccc(F)cn1 ZINC000799310446 645154637 /nfs/dbraw/zinc/15/46/37/645154637.db2.gz YCISHHREERTSTI-FSPWUOQZSA-N 1 3 319.424 2.203 20 0 DEADHO O[C@H](C[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1)c1ccc(F)cn1 ZINC000799310446 645154640 /nfs/dbraw/zinc/15/46/40/645154640.db2.gz YCISHHREERTSTI-FSPWUOQZSA-N 1 3 319.424 2.203 20 0 DEADHO CCN1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@@H](C)C1 ZINC000910281520 645386378 /nfs/dbraw/zinc/38/63/78/645386378.db2.gz OIHMQCSCEHZRSB-RDJZCZTQSA-N 1 3 307.482 2.336 20 0 DEADHO CCN1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@@H](C)C1 ZINC000910281520 645386384 /nfs/dbraw/zinc/38/63/84/645386384.db2.gz OIHMQCSCEHZRSB-RDJZCZTQSA-N 1 3 307.482 2.336 20 0 DEADHO CCN1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@@H](C)C1 ZINC000910281508 645387274 /nfs/dbraw/zinc/38/72/74/645387274.db2.gz OIHMQCSCEHZRSB-DOTOQJQBSA-N 1 3 307.482 2.336 20 0 DEADHO CCN1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@@H](C)C1 ZINC000910281508 645387276 /nfs/dbraw/zinc/38/72/76/645387276.db2.gz OIHMQCSCEHZRSB-DOTOQJQBSA-N 1 3 307.482 2.336 20 0 DEADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000912064791 645923184 /nfs/dbraw/zinc/92/31/84/645923184.db2.gz GFQHUXTXPMAXNW-QBPKDAKJSA-N 1 3 305.466 2.136 20 0 DEADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000912064791 645923186 /nfs/dbraw/zinc/92/31/86/645923186.db2.gz GFQHUXTXPMAXNW-QBPKDAKJSA-N 1 3 305.466 2.136 20 0 DEADHO C[NH+](C)C1(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CCCC1 ZINC000810120839 646326730 /nfs/dbraw/zinc/32/67/30/646326730.db2.gz VBGQRKOXDRRZIG-QGZVFWFLSA-N 1 3 313.461 2.190 20 0 DEADHO CSC1(CNCc2cnc([C@@H](C)O)s2)CC[NH+](C)CC1 ZINC000811513829 646538894 /nfs/dbraw/zinc/53/88/94/646538894.db2.gz RUZSCIZTWNGDHF-LLVKDONJSA-N 1 3 315.508 2.113 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000812387912 646647714 /nfs/dbraw/zinc/64/77/14/646647714.db2.gz UZOHWFDBXIJZAX-RHSMWYFYSA-N 1 3 315.477 2.436 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000812387912 646647718 /nfs/dbraw/zinc/64/77/18/646647718.db2.gz UZOHWFDBXIJZAX-RHSMWYFYSA-N 1 3 315.477 2.436 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001388793263 1155090029 /nfs/dbraw/zinc/09/00/29/1155090029.db2.gz KPNIBFTUHZPKKH-SJORKVTESA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001388793263 1155090033 /nfs/dbraw/zinc/09/00/33/1155090033.db2.gz KPNIBFTUHZPKKH-SJORKVTESA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]21 ZINC000992715164 647194220 /nfs/dbraw/zinc/19/42/20/647194220.db2.gz RVSVYCXWGUGJKR-BPQIPLTHSA-N 1 3 321.509 2.343 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000817912887 647380128 /nfs/dbraw/zinc/38/01/28/647380128.db2.gz KFNSICVIVHCJIX-MEDUHNTESA-N 1 3 305.447 2.469 20 0 DEADHO C[C@H](CC(=O)Nc1cccnc1Cl)N[C@H]1CCC[NH2+]CC1 ZINC000817968474 647396921 /nfs/dbraw/zinc/39/69/21/647396921.db2.gz JYHVNSHALWLXHY-NEPJUHHUSA-N 1 3 310.829 2.184 20 0 DEADHO O[C@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(F)c1 ZINC000819062429 647576076 /nfs/dbraw/zinc/57/60/76/647576076.db2.gz PRLKVKBUXKETKW-ZWKOTPCHSA-N 1 3 322.424 2.092 20 0 DEADHO Cc1ccc(N2CCC[C@H](NC[C@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC000819113217 647585631 /nfs/dbraw/zinc/58/56/31/647585631.db2.gz MOEDOLOPEDOJTK-LPHOPBHVSA-N 1 3 317.477 2.009 20 0 DEADHO Cc1ccc(N2CCC[C@H](NC[C@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC000819113217 647585640 /nfs/dbraw/zinc/58/56/40/647585640.db2.gz MOEDOLOPEDOJTK-LPHOPBHVSA-N 1 3 317.477 2.009 20 0 DEADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccccc1 ZINC000819173732 647600569 /nfs/dbraw/zinc/60/05/69/647600569.db2.gz MKXQKNWAWGWRFL-GUDVDZBRSA-N 1 3 318.461 2.078 20 0 DEADHO O[C@H](CN1CCC[C@H]1Cc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000917640998 648019710 /nfs/dbraw/zinc/01/97/10/648019710.db2.gz UYHIJKUKBSCVAJ-ROUUACIJSA-N 1 3 306.425 2.289 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000825340187 648745047 /nfs/dbraw/zinc/74/50/47/648745047.db2.gz BBGNLZPFSREHRV-WBVHZDCISA-N 1 3 307.482 2.382 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000825340187 648745050 /nfs/dbraw/zinc/74/50/50/648745050.db2.gz BBGNLZPFSREHRV-WBVHZDCISA-N 1 3 307.482 2.382 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000825548025 648778707 /nfs/dbraw/zinc/77/87/07/648778707.db2.gz VEDLQYLLAJCCDH-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCC2)C1 ZINC000995180073 649108560 /nfs/dbraw/zinc/10/85/60/649108560.db2.gz DAAGRIOONZGIRO-HOTGVXAUSA-N 1 3 318.465 2.325 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000830209437 649410521 /nfs/dbraw/zinc/41/05/21/649410521.db2.gz KNLJOLPJEWRDOM-SJORKVTESA-N 1 3 318.465 2.063 20 0 DEADHO CN1CCC[C@@H]1CC[N@H+](C)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000831236709 649558090 /nfs/dbraw/zinc/55/80/90/649558090.db2.gz BUVXOYFJWVFOQD-SHARSMKWSA-N 1 3 311.470 2.458 20 0 DEADHO CN1CCC[C@@H]1CC[N@@H+](C)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000831236709 649558092 /nfs/dbraw/zinc/55/80/92/649558092.db2.gz BUVXOYFJWVFOQD-SHARSMKWSA-N 1 3 311.470 2.458 20 0 DEADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)[C@]1(F)CC[NH2+]C1 ZINC000831827706 649647560 /nfs/dbraw/zinc/64/75/60/649647560.db2.gz UGTRHLICVYONNU-AEFFLSMTSA-N 1 3 319.424 2.031 20 0 DEADHO C[N@H+](CCN1CCCC1)C1CCN(CCC(F)(F)F)CC1 ZINC000832779245 649744829 /nfs/dbraw/zinc/74/48/29/649744829.db2.gz WPQOLAQEJORMJG-UHFFFAOYSA-N 1 3 307.404 2.431 20 0 DEADHO C[N@@H+](CCN1CCCC1)C1CCN(CCC(F)(F)F)CC1 ZINC000832779245 649744830 /nfs/dbraw/zinc/74/48/30/649744830.db2.gz WPQOLAQEJORMJG-UHFFFAOYSA-N 1 3 307.404 2.431 20 0 DEADHO [NH3+]CCCCCCN1CCCN(C(=O)c2ccccc2F)CC1 ZINC000846217378 651315670 /nfs/dbraw/zinc/31/56/70/651315670.db2.gz FVLNTKBJBJVXFE-UHFFFAOYSA-N 1 3 321.440 2.493 20 0 DEADHO CC(C)c1ccccc1C[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000848534763 651468663 /nfs/dbraw/zinc/46/86/63/651468663.db2.gz UVYSBJLHDINPEF-QGZVFWFLSA-N 1 3 317.477 2.487 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H](O)c2cccc(Br)c2)C1 ZINC000848719857 651498206 /nfs/dbraw/zinc/49/82/06/651498206.db2.gz FQHRAVNTUHEEJB-MGPQQGTHSA-N 1 3 313.239 2.342 20 0 DEADHO CCc1ccc(NC(=[NH2+])NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000848999701 651576454 /nfs/dbraw/zinc/57/64/54/651576454.db2.gz GQSFXAKKGOPVBA-HOTGVXAUSA-N 1 3 302.422 2.048 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000849044642 651593356 /nfs/dbraw/zinc/59/33/56/651593356.db2.gz AZFKEUYDCQLHCR-HLLBOEOZSA-N 1 3 304.413 2.222 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC[C@@]1(C)C[C@@]1(F)Cl ZINC000849047708 651594862 /nfs/dbraw/zinc/59/48/62/651594862.db2.gz SNCVEHZGSQPZQJ-XBFCOCLRSA-N 1 3 304.841 2.289 20 0 DEADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000855285403 651664410 /nfs/dbraw/zinc/66/44/10/651664410.db2.gz FBOAWBNZTRJKPP-GUYCJALGSA-N 1 3 313.461 2.188 20 0 DEADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000855285403 651664413 /nfs/dbraw/zinc/66/44/13/651664413.db2.gz FBOAWBNZTRJKPP-GUYCJALGSA-N 1 3 313.461 2.188 20 0 DEADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc2c(c1)CCCO2 ZINC000850437901 651928939 /nfs/dbraw/zinc/92/89/39/651928939.db2.gz UZWBHRMNJKCENC-AWEZNQCLSA-N 1 3 304.434 2.119 20 0 DEADHO CON(C)CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000850479377 651936236 /nfs/dbraw/zinc/93/62/36/651936236.db2.gz RGBFPFXQHWSGMP-GUDVDZBRSA-N 1 3 317.477 2.370 20 0 DEADHO CON(C)CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000850479377 651936237 /nfs/dbraw/zinc/93/62/37/651936237.db2.gz RGBFPFXQHWSGMP-GUDVDZBRSA-N 1 3 317.477 2.370 20 0 DEADHO CCN(C(=O)NCC[C@H](C)[NH3+])[C@H]1CCN(Cc2ccccc2)C1 ZINC000857109354 652052974 /nfs/dbraw/zinc/05/29/74/652052974.db2.gz LYQISRCENYVEFB-RDJZCZTQSA-N 1 3 318.465 2.030 20 0 DEADHO CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001390057735 1155514501 /nfs/dbraw/zinc/51/45/01/1155514501.db2.gz HOVLHIWTHDAMAX-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001390057735 1155514504 /nfs/dbraw/zinc/51/45/04/1155514504.db2.gz HOVLHIWTHDAMAX-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H]2CCc3ccc(Cl)nc32)CC1 ZINC000857901560 652200515 /nfs/dbraw/zinc/20/05/15/652200515.db2.gz LQROUKMUWKOJCA-OAHLLOKOSA-N 1 3 322.884 2.340 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccnc(F)c2)[C@@H](C)C1 ZINC000858139346 652264203 /nfs/dbraw/zinc/26/42/03/652264203.db2.gz RTLDUAMMAUOHJM-HOCLYGCPSA-N 1 3 309.429 2.447 20 0 DEADHO CO[C@@H]1CC[C@H]([NH+]2CCC(N3CCN(C(C)C)CC3)CC2)C1 ZINC000851878515 652267867 /nfs/dbraw/zinc/26/78/67/652267867.db2.gz CFVCJJKLQWYFIW-ZWKOTPCHSA-N 1 3 309.498 2.044 20 0 DEADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000854229784 652661363 /nfs/dbraw/zinc/66/13/63/652661363.db2.gz XFDZUVABMLAGLM-XZDPQHSOSA-N 1 3 310.388 2.349 20 0 DEADHO C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC001370985072 1155662716 /nfs/dbraw/zinc/66/27/16/1155662716.db2.gz ZGLWDVQFNGKDKJ-QWHCGFSZSA-N 1 3 323.403 2.107 20 0 DEADHO CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]CC1CC(C)(C)C1 ZINC001391739964 1156762314 /nfs/dbraw/zinc/76/23/14/1156762314.db2.gz LPLZECKDHGTKNK-JKSUJKDBSA-N 1 3 311.514 2.493 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](CCC2CC2)C1)N(CC)CC ZINC001373681939 1157262520 /nfs/dbraw/zinc/26/25/20/1157262520.db2.gz ODOAXBHTMZLOJM-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H](CN(C)Cc1ccc(CF)cc1)NC(=O)CC[NH+](C)C ZINC001392686561 1157336973 /nfs/dbraw/zinc/33/69/73/1157336973.db2.gz HRYNPCWSSMKLTJ-CQSZACIVSA-N 1 3 309.429 2.044 20 0 DEADHO C[C@H](NC(=O)[C@H](N)CC1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382063724 685403509 /nfs/dbraw/zinc/40/35/09/685403509.db2.gz QISRPCQGVHKLQN-JCGIZDLHSA-N 1 3 315.461 2.141 20 0 DEADHO C[C@H](NC(=O)[C@H](N)CC1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382063724 685403511 /nfs/dbraw/zinc/40/35/11/685403511.db2.gz QISRPCQGVHKLQN-JCGIZDLHSA-N 1 3 315.461 2.141 20 0 DEADHO COC(=O)Cc1ccccc1C[NH2+]C1CCN(C(C)C)CC1 ZINC000387400431 685422708 /nfs/dbraw/zinc/42/27/08/685422708.db2.gz QQHJFBNURPQBQT-UHFFFAOYSA-N 1 3 304.434 2.365 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@H]1NCCCOCCOCc1ccccc1 ZINC000396707799 685462723 /nfs/dbraw/zinc/46/27/23/685462723.db2.gz NXJFITVMMWTCBH-FUHWJXTLSA-N 1 3 306.450 2.340 20 0 DEADHO C[C@H]1C[C@@H](NCCF)CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001394690987 1158681669 /nfs/dbraw/zinc/68/16/69/1158681669.db2.gz OFWUOGCOODVQCN-LSDHHAIUSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H]1C[C@@H](NCCF)CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001394690987 1158681679 /nfs/dbraw/zinc/68/16/79/1158681679.db2.gz OFWUOGCOODVQCN-LSDHHAIUSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054145357 693862632 /nfs/dbraw/zinc/86/26/32/693862632.db2.gz OBHAQINEAJOQJK-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054145357 693862636 /nfs/dbraw/zinc/86/26/36/693862636.db2.gz OBHAQINEAJOQJK-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001054145463 693862656 /nfs/dbraw/zinc/86/26/56/693862656.db2.gz QKWSWUOQRDMDTD-PKOBYXMFSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001054145463 693862661 /nfs/dbraw/zinc/86/26/61/693862661.db2.gz QKWSWUOQRDMDTD-PKOBYXMFSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)N1Cc2ccc(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)cc2C1 ZINC001054281496 693913085 /nfs/dbraw/zinc/91/30/85/693913085.db2.gz NCAXSKBKWPBDCN-KDOFPFPSSA-N 1 3 315.461 2.225 20 0 DEADHO CC(C)N1Cc2ccc(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)cc2C1 ZINC001054281496 693913090 /nfs/dbraw/zinc/91/30/90/693913090.db2.gz NCAXSKBKWPBDCN-KDOFPFPSSA-N 1 3 315.461 2.225 20 0 DEADHO C(CN1CCC(C[NH+]2CCCCCC2)CC1)O[C@@H]1CCOC1 ZINC000929265080 693926914 /nfs/dbraw/zinc/92/69/14/693926914.db2.gz XCZOWOKCBXLNCT-GOSISDBHSA-N 1 3 310.482 2.380 20 0 DEADHO COC(=O)[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000929842885 694041163 /nfs/dbraw/zinc/04/11/63/694041163.db2.gz FFTYETLMKPMYRT-TWMKSMIVSA-N 1 3 308.466 2.382 20 0 DEADHO COC(=O)[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000929842885 694041167 /nfs/dbraw/zinc/04/11/67/694041167.db2.gz FFTYETLMKPMYRT-TWMKSMIVSA-N 1 3 308.466 2.382 20 0 DEADHO CC(=O)NCC1CCC([NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC000865635186 687286098 /nfs/dbraw/zinc/28/60/98/687286098.db2.gz AKIIEWWOLYOTMJ-AVAKVYKDSA-N 1 3 321.509 2.393 20 0 DEADHO Cc1cc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(C)s1 ZINC001016249914 687571445 /nfs/dbraw/zinc/57/14/45/687571445.db2.gz KWHZECMKOAUSCF-ZBFHGGJFSA-N 1 3 321.490 2.007 20 0 DEADHO Cc1cc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c(C)s1 ZINC001016249914 687571449 /nfs/dbraw/zinc/57/14/49/687571449.db2.gz KWHZECMKOAUSCF-ZBFHGGJFSA-N 1 3 321.490 2.007 20 0 DEADHO CCCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001016330329 687593865 /nfs/dbraw/zinc/59/38/65/687593865.db2.gz RMFFGECAKIQVHJ-INIZCTEOSA-N 1 3 303.450 2.352 20 0 DEADHO CCCC[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001016330329 687593869 /nfs/dbraw/zinc/59/38/69/687593869.db2.gz RMFFGECAKIQVHJ-INIZCTEOSA-N 1 3 303.450 2.352 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](C(C)C)CC2 ZINC001016616148 687666136 /nfs/dbraw/zinc/66/61/36/687666136.db2.gz ZTEGPHOPPAEFTD-JKSUJKDBSA-N 1 3 307.482 2.238 20 0 DEADHO CC(C)=CC[NH+]1CCC2(C[C@@H]2NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001016821336 687710429 /nfs/dbraw/zinc/71/04/29/687710429.db2.gz ZVZLGNFIGXUFBI-IRXDYDNUSA-N 1 3 319.493 2.265 20 0 DEADHO CC(C)CC[NH+]1CCC2(C[C@H]2NC(=O)CN2CCC[C@H]2C)CC1 ZINC001016828096 687711523 /nfs/dbraw/zinc/71/15/23/687711523.db2.gz CKWZTQGFDBCDGC-IAGOWNOFSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000930335976 694139936 /nfs/dbraw/zinc/13/99/36/694139936.db2.gz DEOSRNMXRZBGOF-ROUUACIJSA-N 1 3 317.477 2.148 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)C1)C1CC1 ZINC001018966470 688262615 /nfs/dbraw/zinc/26/26/15/688262615.db2.gz JPEFQTVAQFCIKN-IRXDYDNUSA-N 1 3 319.493 2.097 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001019033463 688274517 /nfs/dbraw/zinc/27/45/17/688274517.db2.gz PFRWXKHDCJDIBY-JKSUJKDBSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cc(C)sc2C)C1)N(C)C ZINC001019034720 688274816 /nfs/dbraw/zinc/27/48/16/688274816.db2.gz MDQWBQRYANYMMF-JKSUJKDBSA-N 1 3 323.506 2.396 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]Cc3ccccc3)C2)CC1 ZINC001019560706 688374979 /nfs/dbraw/zinc/37/49/79/688374979.db2.gz SXQRYWLFYKTVBK-SFHVURJKSA-N 1 3 315.461 2.109 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CCCC2)C1)C1CC1 ZINC001029756143 688572904 /nfs/dbraw/zinc/57/29/04/688572904.db2.gz RJRMTWKEDUDMAY-FUHWJXTLSA-N 1 3 321.509 2.297 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCC2)C1)C1CC1 ZINC001029756143 688572908 /nfs/dbraw/zinc/57/29/08/688572908.db2.gz RJRMTWKEDUDMAY-FUHWJXTLSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2cccc3c2CNC3)C1 ZINC000870989648 688705534 /nfs/dbraw/zinc/70/55/34/688705534.db2.gz LYJAPTKCSLGFDC-SFHVURJKSA-N 1 3 301.434 2.127 20 0 DEADHO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(C)CCCCCC[NH3+] ZINC000872155281 688939870 /nfs/dbraw/zinc/93/98/70/688939870.db2.gz QFNIJDRYDQFCEB-CYBMUJFWSA-N 1 3 321.421 2.193 20 0 DEADHO CC(C)(O)C[C@H](O)CNC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000872208246 688952647 /nfs/dbraw/zinc/95/26/47/688952647.db2.gz SLFPIOXMUWNIRU-PKOBYXMFSA-N 1 3 320.477 2.010 20 0 DEADHO CC(C)(O)C[C@H](O)CNC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000872208246 688952650 /nfs/dbraw/zinc/95/26/50/688952650.db2.gz SLFPIOXMUWNIRU-PKOBYXMFSA-N 1 3 320.477 2.010 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(CC2=CCCCC2)C1 ZINC001031665758 688976615 /nfs/dbraw/zinc/97/66/15/688976615.db2.gz GOFDTWUGUNVXSA-GOSISDBHSA-N 1 3 319.493 2.408 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1CN(CC2=CCCCC2)C1 ZINC001031665758 688976616 /nfs/dbraw/zinc/97/66/16/688976616.db2.gz GOFDTWUGUNVXSA-GOSISDBHSA-N 1 3 319.493 2.408 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(CC2=CCCCC2)C1 ZINC001031715418 688984982 /nfs/dbraw/zinc/98/49/82/688984982.db2.gz UNBQXTAOQQVWEE-GOSISDBHSA-N 1 3 319.493 2.409 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CN(CC2=CCCCC2)C1 ZINC001031715418 688984986 /nfs/dbraw/zinc/98/49/86/688984986.db2.gz UNBQXTAOQQVWEE-GOSISDBHSA-N 1 3 319.493 2.409 20 0 DEADHO CN1CCN(CC[NH2+]Cc2cccc3ncccc23)CC1(C)C ZINC000873121800 689162628 /nfs/dbraw/zinc/16/26/28/689162628.db2.gz LXFXAJUABCZVKT-UHFFFAOYSA-N 1 3 312.461 2.350 20 0 DEADHO Nc1cnc(CNCC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000873213315 689185402 /nfs/dbraw/zinc/18/54/02/689185402.db2.gz VCSAPXKNLHQMPO-UHFFFAOYSA-N 1 3 311.433 2.061 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CC2)C1 ZINC001032581232 689193318 /nfs/dbraw/zinc/19/33/18/689193318.db2.gz NNSCTLJJZQKIRE-SQNIBIBYSA-N 1 3 319.493 2.194 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CC2)C1 ZINC001032581232 689193320 /nfs/dbraw/zinc/19/33/20/689193320.db2.gz NNSCTLJJZQKIRE-SQNIBIBYSA-N 1 3 319.493 2.194 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000873251335 689194195 /nfs/dbraw/zinc/19/41/95/689194195.db2.gz WAYAXTMESUXAEW-NXNVCVFFSA-N 1 3 322.474 2.098 20 0 DEADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000873251335 689194198 /nfs/dbraw/zinc/19/41/98/689194198.db2.gz WAYAXTMESUXAEW-NXNVCVFFSA-N 1 3 322.474 2.098 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3CC2CCC2)CC1 ZINC001032711394 689233560 /nfs/dbraw/zinc/23/35/60/689233560.db2.gz UJIROCCMPNGAAW-ROUUACIJSA-N 1 3 319.493 2.192 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)[C@@H]2CC[N@H+](CC3=CCCCC3)C2)C1 ZINC001033421266 689494710 /nfs/dbraw/zinc/49/47/10/689494710.db2.gz WDVQNWLLSXIOHP-SJLPKXTDSA-N 1 3 319.493 2.361 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)[C@@H]2CC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001033421266 689494714 /nfs/dbraw/zinc/49/47/14/689494714.db2.gz WDVQNWLLSXIOHP-SJLPKXTDSA-N 1 3 319.493 2.361 20 0 DEADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000876730966 689918962 /nfs/dbraw/zinc/91/89/62/689918962.db2.gz CHUKRULYVLMICC-FZGCCYDFSA-N 1 3 315.461 2.126 20 0 DEADHO CC1CCC(N2CCN(C(=O)/C=C\[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000876763770 689929186 /nfs/dbraw/zinc/92/91/86/689929186.db2.gz JAMJPVAEGBXDLW-YOAFEWJKSA-N 1 3 319.493 2.265 20 0 DEADHO CC(C)CN(C(=O)/C=C\[C@@H]1CCC[NH2+]C1)C1CCN(C)CC1 ZINC000876876751 689961562 /nfs/dbraw/zinc/96/15/62/689961562.db2.gz UJHKQCGLXDCIRA-WLMCBFPDSA-N 1 3 307.482 2.121 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2)CCC1 ZINC001034957227 689998910 /nfs/dbraw/zinc/99/89/10/689998910.db2.gz OFWAJJCGQHYQAM-QGZVFWFLSA-N 1 3 315.461 2.252 20 0 DEADHO CC(C)(CNC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Oc1ccccc1 ZINC000877022979 689999884 /nfs/dbraw/zinc/99/98/84/689999884.db2.gz ZDQFFIRRJYRFSC-RDJZCZTQSA-N 1 3 304.434 2.297 20 0 DEADHO CC(C)(CNC[C@H]1C[N@H+]2CCC[C@H]2CO1)Oc1ccccc1 ZINC000877022979 689999886 /nfs/dbraw/zinc/99/98/86/689999886.db2.gz ZDQFFIRRJYRFSC-RDJZCZTQSA-N 1 3 304.434 2.297 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@@H]1CCC[NH2+]C1 ZINC000877030438 690001980 /nfs/dbraw/zinc/00/19/80/690001980.db2.gz GZYYTNUVEQDXBS-QGPMSJSTSA-N 1 3 313.445 2.129 20 0 DEADHO [NH3+]CC12CCC(CC1)N2C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000877188757 690040902 /nfs/dbraw/zinc/04/09/02/690040902.db2.gz ICGKFZDAVXXPBG-TVRKMHQQSA-N 1 3 313.445 2.133 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC2(CC[N@@H+](C(C)C)C2)CC1)N(C)C ZINC001035225912 690065451 /nfs/dbraw/zinc/06/54/51/690065451.db2.gz GFKVGFWFOBQGJI-MRXNPFEDSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC2(CC[N@H+](C(C)C)C2)CC1)N(C)C ZINC001035225912 690065452 /nfs/dbraw/zinc/06/54/52/690065452.db2.gz GFKVGFWFOBQGJI-MRXNPFEDSA-N 1 3 309.498 2.296 20 0 DEADHO O=C(CCCC[NH+]1CCCC1)NC[C@@H]1Cc2ccccc2CN1 ZINC000877343389 690082700 /nfs/dbraw/zinc/08/27/00/690082700.db2.gz LSRVZIJLPVNHTB-SFHVURJKSA-N 1 3 315.461 2.083 20 0 DEADHO O=C(N[C@@]12CCC[C@@H]1[NH2+]CC2)c1cccc(CN2CCCC2)c1 ZINC000877392848 690099165 /nfs/dbraw/zinc/09/91/65/690099165.db2.gz USHQWPZFUDYVGM-PKOBYXMFSA-N 1 3 313.445 2.297 20 0 DEADHO CC[C@H](C(=O)N1CCC2(C[NH+](CCC3CC3)C2)CC1)N(C)C ZINC001035731536 690163214 /nfs/dbraw/zinc/16/32/14/690163214.db2.gz IDQMGNRJPZNGHC-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@H](C(=O)N1CCC2(C[NH+](CC3CC(C)C3)C2)CC1)N(C)C ZINC001035731582 690163252 /nfs/dbraw/zinc/16/32/52/690163252.db2.gz JJRAKWQRZPMCME-OFLPRAFFSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)=CCN1CC2(C1)CCN(C(=O)C[N@H+]1CCC[C@@H]1C)CC2 ZINC001035797206 690178863 /nfs/dbraw/zinc/17/88/63/690178863.db2.gz FJONIJRUFCYYNA-KRWDZBQOSA-N 1 3 319.493 2.361 20 0 DEADHO CC(C)=CCN1CC2(C1)CCN(C(=O)C[N@@H+]1CCC[C@@H]1C)CC2 ZINC001035797206 690178866 /nfs/dbraw/zinc/17/88/66/690178866.db2.gz FJONIJRUFCYYNA-KRWDZBQOSA-N 1 3 319.493 2.361 20 0 DEADHO CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001035851816 690193398 /nfs/dbraw/zinc/19/33/98/690193398.db2.gz YSDAVLFGODPOHK-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CN1CC[C@@H]2C[N@H+](Cc3cc(-n4ccnc4)cs3)CC[C@H]21 ZINC000877739466 690210066 /nfs/dbraw/zinc/21/00/66/690210066.db2.gz GIBJSIMKVWDVLV-CZUORRHYSA-N 1 3 302.447 2.460 20 0 DEADHO CN1CC[C@@H]2C[N@@H+](Cc3cc(-n4ccnc4)cs3)CC[C@H]21 ZINC000877739466 690210068 /nfs/dbraw/zinc/21/00/68/690210068.db2.gz GIBJSIMKVWDVLV-CZUORRHYSA-N 1 3 302.447 2.460 20 0 DEADHO Cc1cc(F)ccc1C[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000877747135 690214232 /nfs/dbraw/zinc/21/42/32/690214232.db2.gz AWPDXRYDUOZAFO-UHFFFAOYSA-N 1 3 305.441 2.346 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C[C@H]2CCC3(CCOCC3)O2)[C@@H](C)C1 ZINC000878256367 690359499 /nfs/dbraw/zinc/35/94/99/690359499.db2.gz CJHODIRVXSSPHO-BBWFWOEESA-N 1 3 310.482 2.377 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C[C@H]2CCC3(CCOCC3)O2)[C@@H](C)C1 ZINC000878256367 690359502 /nfs/dbraw/zinc/35/95/02/690359502.db2.gz CJHODIRVXSSPHO-BBWFWOEESA-N 1 3 310.482 2.377 20 0 DEADHO CCC[N@@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@H]21 ZINC001036820814 690485638 /nfs/dbraw/zinc/48/56/38/690485638.db2.gz PBAKPCBEZBCVHT-JKSUJKDBSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@H]21 ZINC001036820814 690485640 /nfs/dbraw/zinc/48/56/40/690485640.db2.gz PBAKPCBEZBCVHT-JKSUJKDBSA-N 1 3 307.482 2.051 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CC3CC3)C2)C1 ZINC001036820445 690485873 /nfs/dbraw/zinc/48/58/73/690485873.db2.gz IYMFRIUWMTYIRA-IRXDYDNUSA-N 1 3 319.493 2.051 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CC3CC3)C2)C1 ZINC001036820445 690485874 /nfs/dbraw/zinc/48/58/74/690485874.db2.gz IYMFRIUWMTYIRA-IRXDYDNUSA-N 1 3 319.493 2.051 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2[C@H](CC[N@@H+]2CC2CCCC2)C1 ZINC001036830314 690490699 /nfs/dbraw/zinc/49/06/99/690490699.db2.gz SNSOUSMLTCQXMK-WBVHZDCISA-N 1 3 316.449 2.065 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2[C@H](CC[N@H+]2CC2CCCC2)C1 ZINC001036830314 690490702 /nfs/dbraw/zinc/49/07/02/690490702.db2.gz SNSOUSMLTCQXMK-WBVHZDCISA-N 1 3 316.449 2.065 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@@H]21 ZINC001036853002 690499472 /nfs/dbraw/zinc/49/94/72/690499472.db2.gz MRCKFHRYIONJPO-SJORKVTESA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@@H]21 ZINC001036853002 690499475 /nfs/dbraw/zinc/49/94/75/690499475.db2.gz MRCKFHRYIONJPO-SJORKVTESA-N 1 3 307.482 2.051 20 0 DEADHO C[NH+]1CCC2(CCN(C[C@H](O)c3c(F)cccc3F)C2)CC1 ZINC000878864448 690516489 /nfs/dbraw/zinc/51/64/89/690516489.db2.gz CANAFIVCWPJDGU-HNNXBMFYSA-N 1 3 310.388 2.416 20 0 DEADHO C[NH+]1CCC(NC(=O)CN2CCC[C@@H](C3CCCCC3)C2)CC1 ZINC000878997060 690545040 /nfs/dbraw/zinc/54/50/40/690545040.db2.gz VKJGNYZHMRGDBF-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)(C(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC1CC1)N1CCCC1 ZINC001037056891 690562387 /nfs/dbraw/zinc/56/23/87/690562387.db2.gz NHUMNGVCPQMASS-CVEARBPZSA-N 1 3 307.482 2.145 20 0 DEADHO CC[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CC(C)C ZINC001037859382 690625614 /nfs/dbraw/zinc/62/56/14/690625614.db2.gz IOXXJIQHWNHRHR-NVXWUHKLSA-N 1 3 309.498 2.343 20 0 DEADHO COc1cccc([C@H]2CN(CCCn3ccnc3C)CC[NH2+]2)c1 ZINC000879524830 690662660 /nfs/dbraw/zinc/66/26/60/690662660.db2.gz QCLKJEAKZGNRCG-GOSISDBHSA-N 1 3 314.433 2.237 20 0 DEADHO CCC(CC)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001038238834 690751560 /nfs/dbraw/zinc/75/15/60/690751560.db2.gz IUBKGZZUHGBQCJ-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO CCC(CC)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001038238834 690751563 /nfs/dbraw/zinc/75/15/63/690751563.db2.gz IUBKGZZUHGBQCJ-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO O=C(NC[C@H]1CCN1CCCC1CCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001038269769 690763941 /nfs/dbraw/zinc/76/39/41/690763941.db2.gz QDXMEMJYKULHBV-MSOLQXFVSA-N 1 3 319.493 2.099 20 0 DEADHO C[N@@H+]1CC[C@@H]2CN([C@@H]3CCCN(c4ccccc4)C3=O)C[C@@H]2C1 ZINC000931440032 694396801 /nfs/dbraw/zinc/39/68/01/694396801.db2.gz SIPOCOVMPAKHOC-SOLBZPMBSA-N 1 3 313.445 2.066 20 0 DEADHO C[N@H+]1CC[C@@H]2CN([C@@H]3CCCN(c4ccccc4)C3=O)C[C@@H]2C1 ZINC000931440032 694396803 /nfs/dbraw/zinc/39/68/03/694396803.db2.gz SIPOCOVMPAKHOC-SOLBZPMBSA-N 1 3 313.445 2.066 20 0 DEADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCN2CCC2CCCC2)CC[N@@H+]1C ZINC001038628258 690881307 /nfs/dbraw/zinc/88/13/07/690881307.db2.gz AIPAKPXAJCVSPD-SZMVWBNQSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCN2CCC2CCCC2)CC[N@H+]1C ZINC001038628258 690881311 /nfs/dbraw/zinc/88/13/11/690881311.db2.gz AIPAKPXAJCVSPD-SZMVWBNQSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN1CC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038712705 690903355 /nfs/dbraw/zinc/90/33/55/690903355.db2.gz OACKJAHXAZAGAW-QGZVFWFLSA-N 1 3 303.450 2.005 20 0 DEADHO CC(C)CN1CC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001038818549 690933407 /nfs/dbraw/zinc/93/34/07/690933407.db2.gz ORCRTWXOOIYGKB-KRWDZBQOSA-N 1 3 303.450 2.208 20 0 DEADHO O=C(NC[C@H]1CCN1CC1CCC1)C1CC[NH+](CC2CC2)CC1 ZINC001038895164 690958955 /nfs/dbraw/zinc/95/89/55/690958955.db2.gz CENCABYWAUOBLG-GOSISDBHSA-N 1 3 319.493 2.099 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001039112362 691022610 /nfs/dbraw/zinc/02/26/10/691022610.db2.gz FFGHHZRHNMETJL-SJORKVTESA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001039112362 691022611 /nfs/dbraw/zinc/02/26/11/691022611.db2.gz FFGHHZRHNMETJL-SJORKVTESA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@@H](C(=O)N1CCC([C@@H]2CC[N@@H+](C(C)C)C2)CC1)N(C)C ZINC001039159391 691034966 /nfs/dbraw/zinc/03/49/66/691034966.db2.gz MEXNCQICBYBMSJ-SJORKVTESA-N 1 3 309.498 2.296 20 0 DEADHO CC[C@@H](C(=O)N1CCC([C@@H]2CC[N@H+](C(C)C)C2)CC1)N(C)C ZINC001039159391 691034968 /nfs/dbraw/zinc/03/49/68/691034968.db2.gz MEXNCQICBYBMSJ-SJORKVTESA-N 1 3 309.498 2.296 20 0 DEADHO CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001039160997 691036013 /nfs/dbraw/zinc/03/60/13/691036013.db2.gz FYXGESSGODSQFR-MRXNPFEDSA-N 1 3 318.465 2.313 20 0 DEADHO CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001039160997 691036014 /nfs/dbraw/zinc/03/60/14/691036014.db2.gz FYXGESSGODSQFR-MRXNPFEDSA-N 1 3 318.465 2.313 20 0 DEADHO CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001039180380 691041467 /nfs/dbraw/zinc/04/14/67/691041467.db2.gz PXXJVFAJSFHLEO-IRXDYDNUSA-N 1 3 309.498 2.153 20 0 DEADHO CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001039180380 691041470 /nfs/dbraw/zinc/04/14/70/691041470.db2.gz PXXJVFAJSFHLEO-IRXDYDNUSA-N 1 3 309.498 2.153 20 0 DEADHO CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001040240441 691218582 /nfs/dbraw/zinc/21/85/82/691218582.db2.gz FZHGPSKGVYGNDN-HKUYNNGSSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001040240441 691218585 /nfs/dbraw/zinc/21/85/85/691218585.db2.gz FZHGPSKGVYGNDN-HKUYNNGSSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H](F)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040424400 691246954 /nfs/dbraw/zinc/24/69/54/691246954.db2.gz ZOERJABBFFTAIE-RHSMWYFYSA-N 1 3 322.428 2.015 20 0 DEADHO C[C@@H](F)CC[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040424400 691246956 /nfs/dbraw/zinc/24/69/56/691246956.db2.gz ZOERJABBFFTAIE-RHSMWYFYSA-N 1 3 322.428 2.015 20 0 DEADHO CC(C)[NH+]1CCC2(CCN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001040847837 691292626 /nfs/dbraw/zinc/29/26/26/691292626.db2.gz ADPMPIZNNXJMMU-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@]3(CC[N@H+](CCC4CC4)C3)C2)CCC1 ZINC001041355806 691366707 /nfs/dbraw/zinc/36/67/07/691366707.db2.gz QDKSXVGEWPIQIZ-GOSISDBHSA-N 1 3 319.493 2.195 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@]3(CC[N@@H+](CCC4CC4)C3)C2)CCC1 ZINC001041355806 691366710 /nfs/dbraw/zinc/36/67/10/691366710.db2.gz QDKSXVGEWPIQIZ-GOSISDBHSA-N 1 3 319.493 2.195 20 0 DEADHO CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001041757121 691424817 /nfs/dbraw/zinc/42/48/17/691424817.db2.gz OWGUDJRTYMAMLJ-GOSISDBHSA-N 1 3 307.482 2.053 20 0 DEADHO CCC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001041757121 691424820 /nfs/dbraw/zinc/42/48/20/691424820.db2.gz OWGUDJRTYMAMLJ-GOSISDBHSA-N 1 3 307.482 2.053 20 0 DEADHO CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000884176871 691674566 /nfs/dbraw/zinc/67/45/66/691674566.db2.gz SPVBSTTZJAKVPQ-CVEARBPZSA-N 1 3 305.466 2.415 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1C[NH2+]CC1(C)C)c1ccsc1 ZINC000884188887 691677355 /nfs/dbraw/zinc/67/73/55/691677355.db2.gz RLSZCKRXJBEXPZ-GJZGRUSLSA-N 1 3 323.506 2.493 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)[C@@H](N)CC1CC1)Cc1ccccc1 ZINC000884188442 691677541 /nfs/dbraw/zinc/67/75/41/691677541.db2.gz IFDXYXYQVJMOTR-ROUUACIJSA-N 1 3 317.477 2.183 20 0 DEADHO COCC[C@@H](N)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000884205197 691682653 /nfs/dbraw/zinc/68/26/53/691682653.db2.gz PQHUZKQILSRHOV-QGZVFWFLSA-N 1 3 319.449 2.365 20 0 DEADHO C[NH2+][C@@H](CC(C)C)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000884287496 691700986 /nfs/dbraw/zinc/70/09/86/691700986.db2.gz CZDPWPSBSJFHGD-KRWDZBQOSA-N 1 3 323.456 2.350 20 0 DEADHO CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CN(CC2CCCCCC2)C1 ZINC001044188353 691786208 /nfs/dbraw/zinc/78/62/08/691786208.db2.gz IVRHAQQQGJWJKW-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(CC2CCCCCC2)C1 ZINC001044188353 691786211 /nfs/dbraw/zinc/78/62/11/691786211.db2.gz IVRHAQQQGJWJKW-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001045090096 691936587 /nfs/dbraw/zinc/93/65/87/691936587.db2.gz SQPWMRGVJTWDEC-DLBZAZTESA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CC(C)(C)C1)N(C)C ZINC001045089331 691936869 /nfs/dbraw/zinc/93/68/69/691936869.db2.gz FOZATJOUJICEDN-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]2C[NH2+]CC2CC(C)(C)C2)C1 ZINC001045200124 691951113 /nfs/dbraw/zinc/95/11/13/691951113.db2.gz MQGQTDLDVVHQLT-WBVHZDCISA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1C)N(C)C ZINC001045205250 691951226 /nfs/dbraw/zinc/95/12/26/691951226.db2.gz HMSQXVLJGOIEDW-ROUUACIJSA-N 1 3 317.477 2.416 20 0 DEADHO C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1)c1ccccc1 ZINC001045220059 691953841 /nfs/dbraw/zinc/95/38/41/691953841.db2.gz ZFOKXNQEFWAXBW-YOEHRIQHSA-N 1 3 312.417 2.294 20 0 DEADHO C[C@H]1CN(CCOC2CCCCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000886098846 692003633 /nfs/dbraw/zinc/00/36/33/692003633.db2.gz RQWBVOFVARVQKR-PKOBYXMFSA-N 1 3 323.525 2.294 20 0 DEADHO O[C@@H]1CC[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)CC[C@@H]1O ZINC000886261749 692037999 /nfs/dbraw/zinc/03/79/99/692037999.db2.gz BHDVIOVXOSVMLC-GBEXYDAJSA-N 1 3 310.482 2.038 20 0 DEADHO C[C@H]1CCN(CC(=O)NC2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000886541398 692104618 /nfs/dbraw/zinc/10/46/18/692104618.db2.gz VRSWONKYAONJGU-HNAYVOBHSA-N 1 3 315.461 2.280 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CCC2CC2)C1 ZINC001046317553 692150618 /nfs/dbraw/zinc/15/06/18/692150618.db2.gz UNNVGLTTYPQGFE-FUHWJXTLSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CCC2CC2)C1 ZINC001046317553 692150622 /nfs/dbraw/zinc/15/06/22/692150622.db2.gz UNNVGLTTYPQGFE-FUHWJXTLSA-N 1 3 307.482 2.240 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CCN(CC=C(C)C)C2)CC[N@@H+]1C ZINC001046330999 692154950 /nfs/dbraw/zinc/15/49/50/692154950.db2.gz ZBZCOKHDKYOWLH-LZLYRXPVSA-N 1 3 307.482 2.264 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CCN(CC=C(C)C)C2)CC[N@H+]1C ZINC001046330999 692154954 /nfs/dbraw/zinc/15/49/54/692154954.db2.gz ZBZCOKHDKYOWLH-LZLYRXPVSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@@H]2C1)N(C)C ZINC001048875582 692714516 /nfs/dbraw/zinc/71/45/16/692714516.db2.gz DUVWFSULKYCKBT-BBWFWOEESA-N 1 3 323.525 2.399 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCC(C)(C)C)C[C@@H]2C1)N(C)C ZINC001048875582 692714518 /nfs/dbraw/zinc/71/45/18/692714518.db2.gz DUVWFSULKYCKBT-BBWFWOEESA-N 1 3 323.525 2.399 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CC1 ZINC001049463785 692890890 /nfs/dbraw/zinc/89/08/90/692890890.db2.gz JHMJKAXRNUJHAV-KZNAEPCWSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CC1 ZINC001049463785 692890894 /nfs/dbraw/zinc/89/08/94/692890894.db2.gz JHMJKAXRNUJHAV-KZNAEPCWSA-N 1 3 319.493 2.335 20 0 DEADHO CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049478981 692895418 /nfs/dbraw/zinc/89/54/18/692895418.db2.gz WIBJBFIRORAVJV-HOTGVXAUSA-N 1 3 307.482 2.336 20 0 DEADHO CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049478981 692895422 /nfs/dbraw/zinc/89/54/22/692895422.db2.gz WIBJBFIRORAVJV-HOTGVXAUSA-N 1 3 307.482 2.336 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCC3)CC2)C1 ZINC001050367524 693166562 /nfs/dbraw/zinc/16/65/62/693166562.db2.gz NGWWMZNZWICTMX-SZMVWBNQSA-N 1 3 321.509 2.393 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@H]2CCOC23CCOCC3)C1 ZINC000924683566 693170503 /nfs/dbraw/zinc/17/05/03/693170503.db2.gz GTYSNKKSGUIFGO-BBWFWOEESA-N 1 3 310.482 2.282 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2CCOC23CCOCC3)C1 ZINC000924683566 693170505 /nfs/dbraw/zinc/17/05/05/693170505.db2.gz GTYSNKKSGUIFGO-BBWFWOEESA-N 1 3 310.482 2.282 20 0 DEADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@H]2CCOC23CCOCC3)C1 ZINC000924683566 693170508 /nfs/dbraw/zinc/17/05/08/693170508.db2.gz GTYSNKKSGUIFGO-BBWFWOEESA-N 1 3 310.482 2.282 20 0 DEADHO CC(C)=CC[NH+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)CC1 ZINC001050543750 693204057 /nfs/dbraw/zinc/20/40/57/693204057.db2.gz LGYVALFNDCHTNH-KRWDZBQOSA-N 1 3 319.493 2.217 20 0 DEADHO CN(CC(=O)N1CC2(C1)CC[NH+](CC1CCC1)CC2)C1CCC1 ZINC001050545386 693204520 /nfs/dbraw/zinc/20/45/20/693204520.db2.gz DHHXPIREWZYEEY-UHFFFAOYSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CC[NH+](CC1CCC1)CC2 ZINC001050661670 693227063 /nfs/dbraw/zinc/22/70/63/693227063.db2.gz AHMVPWOYRPDBMD-MRXNPFEDSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@@H]1[C@H](NC(=O)N2CCC(C)([NH+]3CCCCC3)CC2)CCN1C ZINC000925353962 693261245 /nfs/dbraw/zinc/26/12/45/693261245.db2.gz ITSDPCKIQKYNDJ-HZPDHXFCSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H](C[NH2+][C@@H]1C[C@@H](N)C12CCC2)N1CCc2sccc2C1 ZINC000925494075 693282367 /nfs/dbraw/zinc/28/23/67/693282367.db2.gz SWVUFGXAJAFWGX-DAXOMENPSA-N 1 3 305.491 2.354 20 0 DEADHO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925498597 693282781 /nfs/dbraw/zinc/28/27/81/693282781.db2.gz HBNRYCSSXGWJEY-XDNAFOTISA-N 1 3 321.509 2.391 20 0 DEADHO CC1(C)C[C@@H]([NH3+])C[C@H](NCCc2nnc3n2CCCCC3)C1 ZINC000925533892 693290922 /nfs/dbraw/zinc/29/09/22/693290922.db2.gz PVAHFZMISNKCQP-KBPBESRZSA-N 1 3 305.470 2.043 20 0 DEADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1CCN(c3ncccc3Cl)C1)[NH2+]2 ZINC000925550810 693294865 /nfs/dbraw/zinc/29/48/65/693294865.db2.gz CNOCILIBBOSGCD-RHBQXOTJSA-N 1 3 320.868 2.432 20 0 DEADHO Cc1ccc(N2CCC[C@H](N[C@@H]3C[C@@H]([NH3+])CC(C)(C)C3)C2)nn1 ZINC000925619949 693309894 /nfs/dbraw/zinc/30/98/94/693309894.db2.gz CETWBOLCUXKDHM-OWCLPIDISA-N 1 3 317.481 2.249 20 0 DEADHO OC[C@H](Cc1ccc(F)cc1)N[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925651095 693317915 /nfs/dbraw/zinc/31/79/15/693317915.db2.gz WHDNDTIYBLNJRH-GBESFXJTSA-N 1 3 320.452 2.487 20 0 DEADHO CN1CC[C@H]([N@@H+]2CCOc3ccc(N)cc3C2)[C@H]2CCC[C@H]21 ZINC000925754898 693335950 /nfs/dbraw/zinc/33/59/50/693335950.db2.gz RQZXHATXAAFBCP-BBWFWOEESA-N 1 3 301.434 2.336 20 0 DEADHO CN1CC[C@H]([N@H+]2CCOc3ccc(N)cc3C2)[C@H]2CCC[C@H]21 ZINC000925754898 693335956 /nfs/dbraw/zinc/33/59/56/693335956.db2.gz RQZXHATXAAFBCP-BBWFWOEESA-N 1 3 301.434 2.336 20 0 DEADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@H](O)c1cc(F)cc(Cl)c1 ZINC000926318495 693432815 /nfs/dbraw/zinc/43/28/15/693432815.db2.gz ZKQOSICBLYIITA-NZVJKVIASA-N 1 3 312.816 2.442 20 0 DEADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@H](O)c1cc(F)cc(Cl)c1 ZINC000926318495 693432817 /nfs/dbraw/zinc/43/28/17/693432817.db2.gz ZKQOSICBLYIITA-NZVJKVIASA-N 1 3 312.816 2.442 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2CCC[N@H+](CCC3CC3)CC2)C1 ZINC001052712915 693600819 /nfs/dbraw/zinc/60/08/19/693600819.db2.gz PQTCNANISGDZIW-RDJZCZTQSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2CCC[N@@H+](CCC3CC3)CC2)C1 ZINC001052712915 693600823 /nfs/dbraw/zinc/60/08/23/693600823.db2.gz PQTCNANISGDZIW-RDJZCZTQSA-N 1 3 307.482 2.099 20 0 DEADHO CN(C)[C@@H]1Cc2ccccc2N(C(=O)CC[NH2+]C(C)(C)C)C1 ZINC000932417043 694609847 /nfs/dbraw/zinc/60/98/47/694609847.db2.gz ZBKUFWMNDJMAKT-OAHLLOKOSA-N 1 3 303.450 2.284 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC2CCC2)C1)N(CC)CC ZINC001376067404 1159080925 /nfs/dbraw/zinc/08/09/25/1159080925.db2.gz CIIWHTVVEFGFEF-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)C1)N(CC)CC ZINC001376067404 1159080936 /nfs/dbraw/zinc/08/09/36/1159080936.db2.gz CIIWHTVVEFGFEF-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(F)c3)C2)CCC1 ZINC001370642417 1149824933 /nfs/dbraw/zinc/82/49/33/1149824933.db2.gz WDUFPQXJKNFPPB-IYBDPMFKSA-N 1 3 319.424 2.047 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CC2CCCCC2)CCC1 ZINC001402567466 1162395045 /nfs/dbraw/zinc/39/50/45/1162395045.db2.gz DPUXDWRXWCUULL-UHFFFAOYSA-N 1 3 318.465 2.469 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)CCC1 ZINC001402606592 1162408095 /nfs/dbraw/zinc/40/80/95/1162408095.db2.gz XVGXIBNTOZLBFF-UUAJXVIYSA-N 1 3 319.493 2.144 20 0 DEADHO CCC1([NH2+]CC[C@@H](C)F)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001402709247 1162446686 /nfs/dbraw/zinc/44/66/86/1162446686.db2.gz HCVXLSDIIYIGDA-OAHLLOKOSA-N 1 3 315.477 2.436 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)C(C)(C)C1 ZINC001402797831 1162474782 /nfs/dbraw/zinc/47/47/82/1162474782.db2.gz JLYXCWACLKYLED-INIZCTEOSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)C(C)(C)C1 ZINC001402797831 1162474784 /nfs/dbraw/zinc/47/47/84/1162474784.db2.gz JLYXCWACLKYLED-INIZCTEOSA-N 1 3 309.498 2.343 20 0 DEADHO C[NH+](C)CCC(=O)NC1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001402828612 1162486798 /nfs/dbraw/zinc/48/67/98/1162486798.db2.gz OHVXOIKSNSDJFZ-PKNBQFBNSA-N 1 3 322.280 2.274 20 0 DEADHO Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001379742723 1152686395 /nfs/dbraw/zinc/68/63/95/1152686395.db2.gz MZCCKEHOGLKROR-IAGOWNOFSA-N 1 3 317.477 2.273 20 0 DEADHO Cc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001379742723 1152686396 /nfs/dbraw/zinc/68/63/96/1152686396.db2.gz MZCCKEHOGLKROR-IAGOWNOFSA-N 1 3 317.477 2.273 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)N(C)C ZINC001380684574 1152843945 /nfs/dbraw/zinc/84/39/45/1152843945.db2.gz VZXMNIRSRWXYKS-YYIAUSFCSA-N 1 3 309.498 2.340 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)N(C)C ZINC001380684574 1152843946 /nfs/dbraw/zinc/84/39/46/1152843946.db2.gz VZXMNIRSRWXYKS-YYIAUSFCSA-N 1 3 309.498 2.340 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001381124607 1152918223 /nfs/dbraw/zinc/91/82/23/1152918223.db2.gz SLZVOTADXSFCQB-WMLDXEAASA-N 1 3 321.440 2.104 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)C(C)(C)C[NH+]2CCCCCC2)C1 ZINC001362518765 1152952065 /nfs/dbraw/zinc/95/20/65/1152952065.db2.gz LCPIWAZGZDLHNU-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@H](NCC=C(Cl)Cl)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001381423175 1153048145 /nfs/dbraw/zinc/04/81/45/1153048145.db2.gz SOGSUESTTCRKCQ-GHMZBOCLSA-N 1 3 322.280 2.130 20 0 DEADHO C[NH+](C)[C@@H]1C[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1(C)C ZINC001362827199 1153105719 /nfs/dbraw/zinc/10/57/19/1153105719.db2.gz MDVLTOGVMQLLEE-AHIWAGSCSA-N 1 3 313.461 2.044 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001362840307 1153111170 /nfs/dbraw/zinc/11/11/70/1153111170.db2.gz BTIFLXZWNDXOSX-XHSDSOJGSA-N 1 3 307.482 2.240 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001362840307 1153111176 /nfs/dbraw/zinc/11/11/76/1153111176.db2.gz BTIFLXZWNDXOSX-XHSDSOJGSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)CCC[N@@H+]1CCCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001381929358 1153276860 /nfs/dbraw/zinc/27/68/60/1153276860.db2.gz JMWSHQXSSBPPGO-UHFFFAOYSA-N 1 3 318.465 2.313 20 0 DEADHO CC(C)CCC[N@H+]1CCCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001381929358 1153276865 /nfs/dbraw/zinc/27/68/65/1153276865.db2.gz JMWSHQXSSBPPGO-UHFFFAOYSA-N 1 3 318.465 2.313 20 0 DEADHO CC1CCN(CC(=O)N2[C@@H](CC[NH+](C)C)CCC[C@@H]2C)CC1 ZINC001363492730 1153432970 /nfs/dbraw/zinc/43/29/70/1153432970.db2.gz RJGCCQJCEZLZEJ-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(CC[N@H+](C)CC1CC(C)C1)C(=O)[C@H]1CCCN1C ZINC001382497809 1153454901 /nfs/dbraw/zinc/45/49/01/1153454901.db2.gz JDYDOZOIZWUWKL-OFLPRAFFSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)N(CC[N@@H+](C)CC1CC(C)C1)C(=O)[C@H]1CCCN1C ZINC001382497809 1153454905 /nfs/dbraw/zinc/45/49/05/1153454905.db2.gz JDYDOZOIZWUWKL-OFLPRAFFSA-N 1 3 309.498 2.296 20 0 DEADHO CCCN(C)CC(=O)NC1CC(C[NH2+]Cc2cccc(F)c2)C1 ZINC001402948829 1162564706 /nfs/dbraw/zinc/56/47/06/1162564706.db2.gz MJCQTSUDVCPENB-UHFFFAOYSA-N 1 3 321.440 2.152 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC001389495030 1155353923 /nfs/dbraw/zinc/35/39/23/1155353923.db2.gz HBGKYCZNGSVUDP-SFHVURJKSA-N 1 3 317.477 2.336 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC001389495030 1155353927 /nfs/dbraw/zinc/35/39/27/1155353927.db2.gz HBGKYCZNGSVUDP-SFHVURJKSA-N 1 3 317.477 2.336 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]CC1CCCCC1)C1CC1)N(C)C ZINC001389661034 1155390803 /nfs/dbraw/zinc/39/08/03/1155390803.db2.gz KOOYKIZHTLMHJC-SJORKVTESA-N 1 3 309.498 2.391 20 0 DEADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2F)C1)C1CCC1 ZINC001389960927 1155483206 /nfs/dbraw/zinc/48/32/06/1155483206.db2.gz QLYROSHZLKEZIC-GASCZTMLSA-N 1 3 319.424 2.047 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]2C[N@H+](CC3CCC3)CC[C@H]21 ZINC001389961599 1155483580 /nfs/dbraw/zinc/48/35/80/1155483580.db2.gz TYRNXORLFMEVRJ-QZTJIDSGSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]2C[N@@H+](CC3CCC3)CC[C@H]21 ZINC001389961599 1155483582 /nfs/dbraw/zinc/48/35/82/1155483582.db2.gz TYRNXORLFMEVRJ-QZTJIDSGSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCc1ccsc1 ZINC001390439050 1155716738 /nfs/dbraw/zinc/71/67/38/1155716738.db2.gz VPJZEGNNZXUOEB-GDBMZVCRSA-N 1 3 323.506 2.463 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCc1ccsc1 ZINC001390439050 1155716748 /nfs/dbraw/zinc/71/67/48/1155716748.db2.gz VPJZEGNNZXUOEB-GDBMZVCRSA-N 1 3 323.506 2.463 20 0 DEADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@@H](C)c1ccccc1F ZINC001390466146 1155737992 /nfs/dbraw/zinc/73/79/92/1155737992.db2.gz UBMHSWPLDNBEHN-KBPBESRZSA-N 1 3 321.440 2.323 20 0 DEADHO CCc1cccc(C[NH2+][C@@H](C)CNC(=O)[C@H](CC)N(C)C)c1 ZINC001390476438 1155747955 /nfs/dbraw/zinc/74/79/55/1155747955.db2.gz GHYIFNKHSPBKTL-YOEHRIQHSA-N 1 3 305.466 2.184 20 0 DEADHO Cc1cc(C)cc(CN(C)CCNC(=O)CCC[NH+](C)C)c1 ZINC001390806226 1155877161 /nfs/dbraw/zinc/87/71/61/1155877161.db2.gz CYZMDDQXNGMPOU-UHFFFAOYSA-N 1 3 305.466 2.193 20 0 DEADHO CCN(CCNC(=O)CC[NH+](C)C)[C@@H](C)c1cccc(F)c1 ZINC001390969349 1156018757 /nfs/dbraw/zinc/01/87/57/1156018757.db2.gz ZWXKQOGJSLVPRC-AWEZNQCLSA-N 1 3 309.429 2.277 20 0 DEADHO C[C@@H](NCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1F ZINC001391233573 1156271040 /nfs/dbraw/zinc/27/10/40/1156271040.db2.gz ZRXGYKYPAHYHOF-CABCVRRESA-N 1 3 321.440 2.277 20 0 DEADHO C[C@@H](NCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1F ZINC001391233573 1156271044 /nfs/dbraw/zinc/27/10/44/1156271044.db2.gz ZRXGYKYPAHYHOF-CABCVRRESA-N 1 3 321.440 2.277 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC)c1ccccc1 ZINC001391263397 1156295647 /nfs/dbraw/zinc/29/56/47/1156295647.db2.gz LIZSOOXEZYXUMC-IRXDYDNUSA-N 1 3 303.450 2.328 20 0 DEADHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001391716104 1156727333 /nfs/dbraw/zinc/72/73/33/1156727333.db2.gz BZGITJDSDZPZKH-HOCLYGCPSA-N 1 3 309.498 2.249 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+]CC2CC(C)C2)CCCC1 ZINC001392022586 1156851131 /nfs/dbraw/zinc/85/11/31/1156851131.db2.gz LFFIOUQGRVMPHQ-UHFFFAOYSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@H+](C)CC2CCCC2)C1 ZINC001373309590 1156962108 /nfs/dbraw/zinc/96/21/08/1156962108.db2.gz FQHICVHFMVKVHO-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001373309590 1156962117 /nfs/dbraw/zinc/96/21/17/1156962117.db2.gz FQHICVHFMVKVHO-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC001403235718 1162824258 /nfs/dbraw/zinc/82/42/58/1162824258.db2.gz DFXUFZGSWYNOST-SFHVURJKSA-N 1 3 317.477 2.275 20 0 DEADHO CC(C)CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001373317951 1156974419 /nfs/dbraw/zinc/97/44/19/1156974419.db2.gz ZDQSPWFJUWGPTB-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001373317951 1156974439 /nfs/dbraw/zinc/97/44/39/1156974439.db2.gz ZDQSPWFJUWGPTB-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCc2ccc(F)cc21)N(C)C ZINC001392487473 1157071490 /nfs/dbraw/zinc/07/14/90/1157071490.db2.gz MMWDJUSRXKKYPB-OAUYIBNBSA-N 1 3 321.440 2.248 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@H](C)c1ccccc1C)N(C)C ZINC001392508215 1157082078 /nfs/dbraw/zinc/08/20/78/1157082078.db2.gz BRFLIZGQSQABBX-INMHGKMJSA-N 1 3 305.466 2.491 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CCC2CC2)C1)N(CC)CC ZINC001373681939 1157262508 /nfs/dbraw/zinc/26/25/08/1157262508.db2.gz ODOAXBHTMZLOJM-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cccc(F)c1 ZINC001373757818 1157344533 /nfs/dbraw/zinc/34/45/33/1157344533.db2.gz IYPSEJHKUIFREM-MRXNPFEDSA-N 1 3 321.440 2.294 20 0 DEADHO CC(C)[C@H](C(=O)NCc1ccc(C[NH2+]CC2CC2)cc1)N(C)C ZINC001373932511 1157474776 /nfs/dbraw/zinc/47/47/76/1157474776.db2.gz YORIUQFUFRWOBU-GOSISDBHSA-N 1 3 317.477 2.389 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1ccccc1F ZINC001374032081 1157555111 /nfs/dbraw/zinc/55/51/11/1157555111.db2.gz XLBHSRNSHOAOGT-CQSZACIVSA-N 1 3 321.440 2.152 20 0 DEADHO Cc1ccc(F)c(CNC[C@@H]2CCCN2C(=O)CC[NH+](C)C)c1 ZINC001393054661 1157635461 /nfs/dbraw/zinc/63/54/61/1157635461.db2.gz LQBCRTBTEHHZLQ-INIZCTEOSA-N 1 3 321.440 2.166 20 0 DEADHO CC[C@@H](C(=O)N[C@]1(C)CC[N@H+](CCC2CC2)C1)N(CC)CC ZINC001393110283 1157691658 /nfs/dbraw/zinc/69/16/58/1157691658.db2.gz GJUUCBVQPPUQHD-FUHWJXTLSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)N[C@]1(C)CC[N@@H+](CCC2CC2)C1)N(CC)CC ZINC001393110283 1157691663 /nfs/dbraw/zinc/69/16/63/1157691663.db2.gz GJUUCBVQPPUQHD-FUHWJXTLSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001374322889 1157812728 /nfs/dbraw/zinc/81/27/28/1157812728.db2.gz UPOYJRBYDYGMBR-PBHICJAKSA-N 1 3 323.456 2.348 20 0 DEADHO CC(C)CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001374379213 1157832804 /nfs/dbraw/zinc/83/28/04/1157832804.db2.gz UWKCRLADIMUGLN-NVXWUHKLSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)N(C)CC[N@H+](C)Cc1ccccc1C)N(C)C ZINC001374508901 1157881101 /nfs/dbraw/zinc/88/11/01/1157881101.db2.gz XNKCIWYBTJYHGC-QGZVFWFLSA-N 1 3 305.466 2.225 20 0 DEADHO CC[C@H](C(=O)N(C)CC[N@@H+](C)Cc1ccccc1C)N(C)C ZINC001374508901 1157881108 /nfs/dbraw/zinc/88/11/08/1157881108.db2.gz XNKCIWYBTJYHGC-QGZVFWFLSA-N 1 3 305.466 2.225 20 0 DEADHO CN(CCC[N@H+](C)CC1CC(C)(C)C1)C(=O)Cc1c[nH]cn1 ZINC001393632606 1157889946 /nfs/dbraw/zinc/88/99/46/1157889946.db2.gz LFFPFPVOKLZJKP-UHFFFAOYSA-N 1 3 306.454 2.169 20 0 DEADHO CN(CCC[N@@H+](C)CC1CC(C)(C)C1)C(=O)Cc1c[nH]cn1 ZINC001393632606 1157889947 /nfs/dbraw/zinc/88/99/47/1157889947.db2.gz LFFPFPVOKLZJKP-UHFFFAOYSA-N 1 3 306.454 2.169 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCc2ccccc21)N(C)C ZINC001374775276 1158018135 /nfs/dbraw/zinc/01/81/35/1158018135.db2.gz GDIBCGNFBZLOEZ-XOKHGSTOSA-N 1 3 303.450 2.108 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001374810679 1158036924 /nfs/dbraw/zinc/03/69/24/1158036924.db2.gz FWHXZSAQIDKELD-RHSMWYFYSA-N 1 3 323.456 2.315 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]CCc1ccccc1 ZINC001393936464 1158084350 /nfs/dbraw/zinc/08/43/50/1158084350.db2.gz RRYSOUPOSWWRSP-JKSUJKDBSA-N 1 3 317.477 2.196 20 0 DEADHO CC(C)[C@@H](CCN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]CC1CC1 ZINC001394195513 1158360491 /nfs/dbraw/zinc/36/04/91/1158360491.db2.gz ZAQCBYZRMGPNIE-DOTOQJQBSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C1C[NH+](Cc2ccccc2C)C1)N(C)C ZINC001394260798 1158399869 /nfs/dbraw/zinc/39/98/69/1158399869.db2.gz HGHITNKLXZLNHQ-QAPCUYQASA-N 1 3 317.477 2.272 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccsc3)C2)CCC1 ZINC001394364118 1158430694 /nfs/dbraw/zinc/43/06/94/1158430694.db2.gz DOOVTJAFKZUAAY-SHTZXODSSA-N 1 3 321.490 2.217 20 0 DEADHO Cc1ccc(C[NH2+]C2(CNC(=O)[C@H](C(C)C)N(C)C)CC2)cc1 ZINC001375432667 1158674505 /nfs/dbraw/zinc/67/45/05/1158674505.db2.gz KSZMKRNKOMWIOJ-KRWDZBQOSA-N 1 3 317.477 2.320 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]Cc2ccccc2C)CC1)N(C)C ZINC001375437114 1158678215 /nfs/dbraw/zinc/67/82/15/1158678215.db2.gz PMBBUSFPPMNLLP-MRXNPFEDSA-N 1 3 303.450 2.074 20 0 DEADHO Cc1cccc(C[NH2+]C2(CNC(=O)[C@@H](C(C)C)N(C)C)CC2)c1 ZINC001375527935 1158803330 /nfs/dbraw/zinc/80/33/30/1158803330.db2.gz AJNHRJHVWYQSBT-QGZVFWFLSA-N 1 3 317.477 2.320 20 0 DEADHO CC(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001394848214 1158811942 /nfs/dbraw/zinc/81/19/42/1158811942.db2.gz OFPIVRUMJZFBRM-DOTOQJQBSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001375845870 1158890004 /nfs/dbraw/zinc/89/00/04/1158890004.db2.gz DYNXOEVMTKGAIG-SJLPKXTDSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001375845870 1158890002 /nfs/dbraw/zinc/89/00/02/1158890002.db2.gz DYNXOEVMTKGAIG-SJLPKXTDSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](C[C@@H](C)CC(C)C)C[C@@H]2C1 ZINC001376416257 1159396624 /nfs/dbraw/zinc/39/66/24/1159396624.db2.gz UVLRLQLZFIYRSQ-OKZBNKHCSA-N 1 3 323.525 2.401 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](C[C@@H](C)CC(C)C)C[C@@H]2C1 ZINC001376416257 1159396632 /nfs/dbraw/zinc/39/66/32/1159396632.db2.gz UVLRLQLZFIYRSQ-OKZBNKHCSA-N 1 3 323.525 2.401 20 0 DEADHO C[C@@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]CC1CCCCC1 ZINC001403600357 1163038544 /nfs/dbraw/zinc/03/85/44/1163038544.db2.gz OJOSLYXSMFQJIY-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001376634384 1159626994 /nfs/dbraw/zinc/62/69/94/1159626994.db2.gz XWFFXOBBNAZKMQ-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001376634384 1159626998 /nfs/dbraw/zinc/62/69/98/1159626998.db2.gz XWFFXOBBNAZKMQ-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CCC2)CCC1 ZINC001376737537 1159744827 /nfs/dbraw/zinc/74/48/27/1159744827.db2.gz SCSJQSMHJIYBEU-MRXNPFEDSA-N 1 3 307.482 2.288 20 0 DEADHO CCc1ccccc1C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001376751151 1159762917 /nfs/dbraw/zinc/76/29/17/1159762917.db2.gz WHIPQODRDSTLIY-QAPCUYQASA-N 1 3 319.493 2.430 20 0 DEADHO Cc1ccc(F)c(CN[C@@H](C)CNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001376794435 1159801874 /nfs/dbraw/zinc/80/18/74/1159801874.db2.gz WNIHEOKGAPPNEZ-AWEZNQCLSA-N 1 3 321.440 2.070 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCC(C)(C)C)C1)N(C)C ZINC001397130088 1160008344 /nfs/dbraw/zinc/00/83/44/1160008344.db2.gz NMQIXHIWTKLJFX-BZUAXINKSA-N 1 3 311.514 2.493 20 0 DEADHO CCCN(C)CC(=O)N1CCCCC[C@H]([NH2+]CCC2CC2)C1 ZINC001397234234 1160070437 /nfs/dbraw/zinc/07/04/37/1160070437.db2.gz SJVZFLTWNVPGDS-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)c1ccccc1CN(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001377261656 1160089983 /nfs/dbraw/zinc/08/99/83/1160089983.db2.gz QTSBCGXQYOMWKI-QGZVFWFLSA-N 1 3 317.477 2.310 20 0 DEADHO CC(C)c1ccccc1CN(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001377261656 1160089992 /nfs/dbraw/zinc/08/99/92/1160089992.db2.gz QTSBCGXQYOMWKI-QGZVFWFLSA-N 1 3 317.477 2.310 20 0 DEADHO CN(CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)Cc1ccccc1 ZINC001403695095 1163095629 /nfs/dbraw/zinc/09/56/29/1163095629.db2.gz DYHFTIULUWYHAD-ZWKOTPCHSA-N 1 3 315.461 2.252 20 0 DEADHO CN(CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)Cc1ccccc1 ZINC001403695095 1163095636 /nfs/dbraw/zinc/09/56/36/1163095636.db2.gz DYHFTIULUWYHAD-ZWKOTPCHSA-N 1 3 315.461 2.252 20 0 DEADHO CC[C@H](C(=O)N(C)CC[NH2+][C@@H]1CCCc2ccccc21)N(C)C ZINC001377575613 1160558128 /nfs/dbraw/zinc/55/81/28/1160558128.db2.gz QIUFSUBVXFYLTF-QZTJIDSGSA-N 1 3 317.477 2.452 20 0 DEADHO C[N@H+](CCC(C)(C)C)C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001377660707 1160687078 /nfs/dbraw/zinc/68/70/78/1160687078.db2.gz JUFPZVMOCKRXAG-OAHLLOKOSA-N 1 3 306.454 2.311 20 0 DEADHO C[N@@H+](CCC(C)(C)C)C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001377660707 1160687095 /nfs/dbraw/zinc/68/70/95/1160687095.db2.gz JUFPZVMOCKRXAG-OAHLLOKOSA-N 1 3 306.454 2.311 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2F)[C@@H]1C ZINC001403762931 1163148444 /nfs/dbraw/zinc/14/84/44/1163148444.db2.gz GLYNWUQCFAXDHQ-WMLDXEAASA-N 1 3 321.440 2.247 20 0 DEADHO CC(C)[C@@H](C(=O)NC1CC(C[NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001377736761 1160800660 /nfs/dbraw/zinc/80/06/60/1160800660.db2.gz QZIHEELLPTWZEP-PREGVCBESA-N 1 3 323.525 2.493 20 0 DEADHO Cc1cccc(CN2CCC[C@@H](NC(=O)CC[NH+](C)C)[C@H]2C)c1 ZINC001403776311 1163168575 /nfs/dbraw/zinc/16/85/75/1163168575.db2.gz AJBHGYYRSGEYAJ-SJLPKXTDSA-N 1 3 317.477 2.416 20 0 DEADHO CC[N@H+](CCNC(=O)C1(N(C)C)CCC1)CCC1CCCC1 ZINC001399708256 1161534111 /nfs/dbraw/zinc/53/41/11/1161534111.db2.gz NMIKOTXWZWZRJT-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)CCC1CCCC1 ZINC001399708256 1161534118 /nfs/dbraw/zinc/53/41/18/1161534118.db2.gz NMIKOTXWZWZRJT-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001399933636 1161611384 /nfs/dbraw/zinc/61/13/84/1161611384.db2.gz QXKUWEPEISZXFF-HNNXBMFYSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001399933636 1161611386 /nfs/dbraw/zinc/61/13/86/1161611386.db2.gz QXKUWEPEISZXFF-HNNXBMFYSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@H](C(=O)N(C)CC[NH2+][C@H]1CCc2c1cccc2F)N(C)C ZINC001400066535 1161645307 /nfs/dbraw/zinc/64/53/07/1161645307.db2.gz OVROSSCTQWEMES-DLBZAZTESA-N 1 3 321.440 2.201 20 0 DEADHO CC(C)[C@H](C(=O)N(C)CC[NH2+][C@H]1CCc2ccccc21)N(C)C ZINC001400068956 1161645709 /nfs/dbraw/zinc/64/57/09/1161645709.db2.gz AUNCMKCJXMSZGQ-ZWKOTPCHSA-N 1 3 317.477 2.308 20 0 DEADHO CCC[NH2+][C@@H](CNC(=O)CN1CC[C@H](C)C1)c1ccccc1 ZINC001400093850 1161651571 /nfs/dbraw/zinc/65/15/71/1161651571.db2.gz CESXKMOWBMPZMP-RDJZCZTQSA-N 1 3 303.450 2.185 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001400184049 1161680786 /nfs/dbraw/zinc/68/07/86/1161680786.db2.gz LYEJVXWSFGBSTD-SJLPKXTDSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001400184049 1161680791 /nfs/dbraw/zinc/68/07/91/1161680791.db2.gz LYEJVXWSFGBSTD-SJLPKXTDSA-N 1 3 321.509 2.347 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001401148564 1161882923 /nfs/dbraw/zinc/88/29/23/1161882923.db2.gz XPJZSDVNQZKBGZ-QAPCUYQASA-N 1 3 319.493 2.423 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC2CCC2)C1 ZINC001401281842 1161914650 /nfs/dbraw/zinc/91/46/50/1161914650.db2.gz AYIMIHHGRPHWJL-WBVHZDCISA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001401305312 1161922400 /nfs/dbraw/zinc/92/24/00/1161922400.db2.gz BKRDSGWPMZEMMW-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001401305312 1161922409 /nfs/dbraw/zinc/92/24/09/1161922409.db2.gz BKRDSGWPMZEMMW-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO CN(CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC2CC2)C1)CC(C)(C)C ZINC001401496902 1162020996 /nfs/dbraw/zinc/02/09/96/1162020996.db2.gz PTGBBKVXXQRDFJ-SJORKVTESA-N 1 3 321.509 2.297 20 0 DEADHO CN(CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC2CC2)C1)CC(C)(C)C ZINC001401496902 1162020998 /nfs/dbraw/zinc/02/09/98/1162020998.db2.gz PTGBBKVXXQRDFJ-SJORKVTESA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)C/C=C\c1ccccc1)N(C)C ZINC001401751940 1162108448 /nfs/dbraw/zinc/10/84/48/1162108448.db2.gz HPIQVEOEHOENRP-XOFUYBQVSA-N 1 3 317.477 2.477 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)C/C=C\c1ccccc1)N(C)C ZINC001401751940 1162108452 /nfs/dbraw/zinc/10/84/52/1162108452.db2.gz HPIQVEOEHOENRP-XOFUYBQVSA-N 1 3 317.477 2.477 20 0 DEADHO Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)cc1 ZINC001401776592 1162124709 /nfs/dbraw/zinc/12/47/09/1162124709.db2.gz WLDCGSLCACOISS-MRXNPFEDSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)cc1 ZINC001401776592 1162124711 /nfs/dbraw/zinc/12/47/11/1162124711.db2.gz WLDCGSLCACOISS-MRXNPFEDSA-N 1 3 317.477 2.416 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1cccc(F)c1)C1CC1)N(C)C ZINC001401867798 1162159406 /nfs/dbraw/zinc/15/94/06/1162159406.db2.gz KZMSSLYASKWYDQ-IRXDYDNUSA-N 1 3 321.440 2.150 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1cccc(F)c1)C1CC1)N(C)C ZINC001401867802 1162159632 /nfs/dbraw/zinc/15/96/32/1162159632.db2.gz KZMSSLYASKWYDQ-SJORKVTESA-N 1 3 321.440 2.150 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001402107284 1162249084 /nfs/dbraw/zinc/24/90/84/1162249084.db2.gz KFRCFGGVRYGZGF-SFHVURJKSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@@]2(CC[N@H+](C(C)C)C2)C1 ZINC001402107284 1162249088 /nfs/dbraw/zinc/24/90/88/1162249088.db2.gz KFRCFGGVRYGZGF-SFHVURJKSA-N 1 3 309.498 2.440 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2ccc(C)cc2)C1 ZINC001404671301 1163777282 /nfs/dbraw/zinc/77/72/82/1163777282.db2.gz CZFPMYZZFYJFKV-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2ccc(C)cc2)C1 ZINC001404671301 1163777287 /nfs/dbraw/zinc/77/72/87/1163777287.db2.gz CZFPMYZZFYJFKV-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO CC[C@H](C(=O)NCCC1CC[NH+](CC[C@@H](C)F)CC1)N(C)C ZINC001405568152 1164153062 /nfs/dbraw/zinc/15/30/62/1164153062.db2.gz RPMXMOCYPGEORJ-GDBMZVCRSA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1csc(C)c1)N(C)C ZINC001405734270 1164209552 /nfs/dbraw/zinc/20/95/52/1164209552.db2.gz ORKRAPHGKFNJDA-IUODEOHRSA-N 1 3 311.495 2.239 20 0 DEADHO CC(C)c1cccc(CNC[C@H](C)N(C)C(=O)CC[NH+](C)C)n1 ZINC001405858219 1164294947 /nfs/dbraw/zinc/29/49/47/1164294947.db2.gz WWEYZPOAZAVDCA-HNNXBMFYSA-N 1 3 320.481 2.093 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(F)c1)N(C)C ZINC001405886136 1164312711 /nfs/dbraw/zinc/31/27/11/1164312711.db2.gz GIIDBCVUCGLELW-YOEHRIQHSA-N 1 3 323.456 2.348 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1 ZINC001405896283 1164318663 /nfs/dbraw/zinc/31/86/63/1164318663.db2.gz BYORRCKSTYREQL-FUHWJXTLSA-N 1 3 317.477 2.498 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC2CCCC2)[C@H](C)C1 ZINC001405968018 1164361946 /nfs/dbraw/zinc/36/19/46/1164361946.db2.gz KMKBBHMUWHBEPS-WBVHZDCISA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCc2ccccc21)N(C)C ZINC001406513872 1164648561 /nfs/dbraw/zinc/64/85/61/1164648561.db2.gz NPBPETWLUFPMSE-JCGIZDLHSA-N 1 3 317.477 2.354 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1 ZINC001406564713 1164679106 /nfs/dbraw/zinc/67/91/06/1164679106.db2.gz UDCOTEXDQWTNTD-DOTOQJQBSA-N 1 3 303.450 2.155 20 0 DEADHO C[C@H](CN(C)Cc1ccc(F)cc1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001406683007 1164789224 /nfs/dbraw/zinc/78/92/24/1164789224.db2.gz BCGDDUYVJHTPDN-GDBMZVCRSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@H](CN(C)Cc1ccc(F)cc1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001406683007 1164789230 /nfs/dbraw/zinc/78/92/30/1164789230.db2.gz BCGDDUYVJHTPDN-GDBMZVCRSA-N 1 3 321.440 2.104 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@]1(C)CCC[N@H+](CC2CC2)C1)N(C)C ZINC001407286821 1165088232 /nfs/dbraw/zinc/08/82/32/1165088232.db2.gz AHWLRMUYORTOHI-SJLPKXTDSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@]1(C)CCC[N@@H+](CC2CC2)C1)N(C)C ZINC001407286821 1165088237 /nfs/dbraw/zinc/08/82/37/1165088237.db2.gz AHWLRMUYORTOHI-SJLPKXTDSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C[NH2+]CC1CC1 ZINC001407528335 1165183384 /nfs/dbraw/zinc/18/33/84/1165183384.db2.gz DFHMQDBJBXQTBZ-HOCLYGCPSA-N 1 3 309.498 2.058 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]Cc2cccc(F)c2)CCC1)N(C)C ZINC001407783008 1165307797 /nfs/dbraw/zinc/30/77/97/1165307797.db2.gz HUTZREXSDYNKSX-MRXNPFEDSA-N 1 3 321.440 2.294 20 0 DEADHO CN(C[C@@H]1CCN1[C@H]1CCc2ccccc21)C(=O)CC[NH+](C)C ZINC001417757026 1167190915 /nfs/dbraw/zinc/19/09/15/1167190915.db2.gz SAULWSVMMGDQRV-WMZOPIPTSA-N 1 3 315.461 2.158 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1c[nH]cn1 ZINC001417815957 1167232382 /nfs/dbraw/zinc/23/23/82/1167232382.db2.gz VHAGVEFQJIDERH-FMKPAKJESA-N 1 3 306.454 2.215 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001417851052 1167257512 /nfs/dbraw/zinc/25/75/12/1167257512.db2.gz HFXPNVJDNGNBAK-WBVHZDCISA-N 1 3 303.450 2.107 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001417851052 1167257515 /nfs/dbraw/zinc/25/75/15/1167257515.db2.gz HFXPNVJDNGNBAK-WBVHZDCISA-N 1 3 303.450 2.107 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)N(C)C)cc1C ZINC001418242942 1167513505 /nfs/dbraw/zinc/51/35/05/1167513505.db2.gz SYRATMHBPIGSEZ-AEFFLSMTSA-N 1 3 319.493 2.484 20 0 DEADHO C[C@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccc(F)cc1 ZINC001418417705 1167640298 /nfs/dbraw/zinc/64/02/98/1167640298.db2.gz TVMZQCQKAWXIEW-LSDHHAIUSA-N 1 3 321.440 2.152 20 0 DEADHO CN(CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)CCc1cccs1 ZINC001418469358 1167681862 /nfs/dbraw/zinc/68/18/62/1167681862.db2.gz KBSKHYSVYMRXGI-HNNXBMFYSA-N 1 3 323.506 2.213 20 0 DEADHO CN(CCNC(=O)CC[C@@H]1CCC[N@H+]1C)CCc1cccs1 ZINC001418469358 1167681867 /nfs/dbraw/zinc/68/18/67/1167681867.db2.gz KBSKHYSVYMRXGI-HNNXBMFYSA-N 1 3 323.506 2.213 20 0 DEADHO CN(CC(=O)NCC[N@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1)CC(C)(C)C ZINC001418493892 1167714274 /nfs/dbraw/zinc/71/42/74/1167714274.db2.gz HWDNLXPIMOZJTI-ZACQAIPSSA-N 1 3 323.525 2.449 20 0 DEADHO CN(CC(=O)NCC[N@@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1)CC(C)(C)C ZINC001418493892 1167714288 /nfs/dbraw/zinc/71/42/88/1167714288.db2.gz HWDNLXPIMOZJTI-ZACQAIPSSA-N 1 3 323.525 2.449 20 0 DEADHO CCN(CCNC(=O)C1(C[NH+](C)C)CC1)Cc1cccc(F)c1 ZINC001418563417 1167813987 /nfs/dbraw/zinc/81/39/87/1167813987.db2.gz BWZDLJADYJUHNM-UHFFFAOYSA-N 1 3 321.440 2.106 20 0 DEADHO CC(C)(C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CC2)C1)N1CCCC1 ZINC001418699976 1167894516 /nfs/dbraw/zinc/89/45/16/1167894516.db2.gz PQCZEWZANYLTSZ-WKILWMFISA-N 1 3 307.482 2.145 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@H+](C)CCC3CC3)C2)CCC1 ZINC001418930604 1168073042 /nfs/dbraw/zinc/07/30/42/1168073042.db2.gz KDGRWWYTSFZGJA-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@@H+](C)CCC3CC3)C2)CCC1 ZINC001418930604 1168073051 /nfs/dbraw/zinc/07/30/51/1168073051.db2.gz KDGRWWYTSFZGJA-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](CNC(=O)Cc1nc[nH]c1C)[NH2+]CC1CC2(CCC2)C1 ZINC001419281366 1168372066 /nfs/dbraw/zinc/37/20/66/1168372066.db2.gz SXCLIFFPHCVRCA-HNNXBMFYSA-N 1 3 318.465 2.325 20 0 DEADHO Cc1cccc(C)c1C[NH2+]C[C@H](C)CNC(=O)CN(C)C(C)C ZINC001419531857 1168578721 /nfs/dbraw/zinc/57/87/21/1168578721.db2.gz BURAKOLIVVLSQN-HNNXBMFYSA-N 1 3 319.493 2.486 20 0 DEADHO CN(C)C1(C(=O)NCC2([NH2+]CC3CCC3)CCCC2)CCC1 ZINC001419613076 1168678205 /nfs/dbraw/zinc/67/82/05/1168678205.db2.gz IRKXPVVUGYCRPE-UHFFFAOYSA-N 1 3 307.482 2.289 20 0 DEADHO CC(C)[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccsc1 ZINC001419873013 1168885202 /nfs/dbraw/zinc/88/52/02/1168885202.db2.gz BBRMCXLSJUOCNJ-OAHLLOKOSA-N 1 3 323.506 2.463 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001420010792 1169060325 /nfs/dbraw/zinc/06/03/25/1169060325.db2.gz CADWPEPRERQQGN-UIKBEFBESA-N 1 3 301.862 2.098 20 0 DEADHO C[C@@H](c1cccc(F)c1)N(C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001420286051 1169320801 /nfs/dbraw/zinc/32/08/01/1169320801.db2.gz YICAVMQKFRDIPL-AWEZNQCLSA-N 1 3 321.440 2.277 20 0 DEADHO CC(C)CCC[N@@H+]1CC[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001420543805 1169755114 /nfs/dbraw/zinc/75/51/14/1169755114.db2.gz LSEYGVPBQMOVMD-SJORKVTESA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)CCC[N@H+]1CC[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001420543805 1169755140 /nfs/dbraw/zinc/75/51/40/1169755140.db2.gz LSEYGVPBQMOVMD-SJORKVTESA-N 1 3 309.498 2.203 20 0 DEADHO C[C@H](CN(C)Cc1ccc(Cl)cc1)NC(=O)CC[NH+](C)C ZINC001420624568 1169836156 /nfs/dbraw/zinc/83/61/56/1169836156.db2.gz YFJHKFNGSPWHQM-CYBMUJFWSA-N 1 3 311.857 2.228 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1(NCc2ccc(F)cc2)CC1)[NH+](C)C ZINC001420953596 1171375898 /nfs/dbraw/zinc/37/58/98/1171375898.db2.gz MWRGPJCHEQRHRI-INIZCTEOSA-N 1 3 321.440 2.150 20 0 DEADHO C[C@H]([NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CC1)c1ccccc1 ZINC001420957055 1171379395 /nfs/dbraw/zinc/37/93/95/1171379395.db2.gz GAIROIANMMOFPH-HNNXBMFYSA-N 1 3 315.461 2.470 20 0 DEADHO CC(C)C[C@H](C)CN1C[C@@H]2C[C@H]1CN2C(=O)C1(C[NH+](C)C)CC1 ZINC001421220255 1171601431 /nfs/dbraw/zinc/60/14/31/1171601431.db2.gz VKAUXPBGYQWNJY-ULQDDVLXSA-N 1 3 321.509 2.296 20 0 DEADHO CC(C)CC[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001421591505 1171860867 /nfs/dbraw/zinc/86/08/67/1171860867.db2.gz DMXAYWISCMDGJX-BRWVUGGUSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CC1CC(C)(C)C1 ZINC001421700291 1171911901 /nfs/dbraw/zinc/91/19/01/1171911901.db2.gz LCFJAEVLLXPFSD-AWEZNQCLSA-N 1 3 309.498 2.249 20 0 DEADHO C[C@@H](C[NH2+]Cc1cccc(F)c1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001421945784 1172166680 /nfs/dbraw/zinc/16/66/80/1172166680.db2.gz PEARMJRBYBQHDI-GJZGRUSLSA-N 1 3 321.440 2.104 20 0 DEADHO CC(C)[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001422110007 1172309550 /nfs/dbraw/zinc/30/95/50/1172309550.db2.gz QEKWIIKVZAJXDM-DOTOQJQBSA-N 1 3 323.525 2.495 20 0 DEADHO CC1CC[NH+](CC[C@@H]2CCCN2CCCC(=O)N(C)C)CC1 ZINC001422160125 1172358079 /nfs/dbraw/zinc/35/80/79/1172358079.db2.gz GNSILTJXISJDCW-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CC1CCN(CC[C@@H]2CCC[N@@H+]2CCCC(=O)N(C)C)CC1 ZINC001422160125 1172358086 /nfs/dbraw/zinc/35/80/86/1172358086.db2.gz GNSILTJXISJDCW-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CC1CCN(CC[C@@H]2CCC[N@H+]2CCCC(=O)N(C)C)CC1 ZINC001422160125 1172358093 /nfs/dbraw/zinc/35/80/93/1172358093.db2.gz GNSILTJXISJDCW-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCCC[C@@H]2[C@@H]2CCCO2)CC1 ZINC001422442820 1172595091 /nfs/dbraw/zinc/59/50/91/1172595091.db2.gz GJNBXJRENVFNGF-MOPGFXCFSA-N 1 3 323.525 2.436 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCCC[C@@H]2[C@@H]2CCCO2)CC1 ZINC001422442820 1172595093 /nfs/dbraw/zinc/59/50/93/1172595093.db2.gz GJNBXJRENVFNGF-MOPGFXCFSA-N 1 3 323.525 2.436 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)C1CN(Cc2ccccc2)C1)[NH+](C)C ZINC001422754902 1172844063 /nfs/dbraw/zinc/84/40/63/1172844063.db2.gz KVWYJYXUCUQRIF-MAUKXSAKSA-N 1 3 317.477 2.209 20 0 DEADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC(N(C)C/C=C/Cl)CC2)C1 ZINC001422929442 1172948933 /nfs/dbraw/zinc/94/89/33/1172948933.db2.gz UIOCAZDREVUHBI-UFZAZABTSA-N 1 3 313.873 2.004 20 0 DEADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC(N(C)C/C=C/Cl)CC2)C1 ZINC001422929442 1172948941 /nfs/dbraw/zinc/94/89/41/1172948941.db2.gz UIOCAZDREVUHBI-UFZAZABTSA-N 1 3 313.873 2.004 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C[NH2+]CC1CCCC1)C1CC1)N(C)C ZINC001423040396 1173035173 /nfs/dbraw/zinc/03/51/73/1173035173.db2.gz NLJPXEILKBFCBW-IAGOWNOFSA-N 1 3 309.498 2.247 20 0 DEADHO CC(C)(C)CCCN1CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001423088743 1173067324 /nfs/dbraw/zinc/06/73/24/1173067324.db2.gz DQEMQZPWIZLCFW-SJORKVTESA-N 1 3 321.509 2.345 20 0 DEADHO Cc1nc(CCNC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)n[nH]1 ZINC001423107387 1173079830 /nfs/dbraw/zinc/07/98/30/1173079830.db2.gz YPGMHSFZBNVFRF-XJKSGUPXSA-N 1 3 305.470 2.288 20 0 DEADHO Cc1n[nH]c(CCNC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)n1 ZINC001423107387 1173079833 /nfs/dbraw/zinc/07/98/33/1173079833.db2.gz YPGMHSFZBNVFRF-XJKSGUPXSA-N 1 3 305.470 2.288 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@H+](CCC(C)C)C2)C1 ZINC001423379325 1173317583 /nfs/dbraw/zinc/31/75/83/1173317583.db2.gz REMWUTSFQKZNFK-GOSISDBHSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@@H+](CCC(C)C)C2)C1 ZINC001423379325 1173317592 /nfs/dbraw/zinc/31/75/92/1173317592.db2.gz REMWUTSFQKZNFK-GOSISDBHSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001423478140 1173367147 /nfs/dbraw/zinc/36/71/47/1173367147.db2.gz BTNYMXWCMRPAOC-KRWDZBQOSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](F)CC[NH+]1CCC(C)(NC(=O)CN(C)C2CCC2)CC1 ZINC001423499951 1173375520 /nfs/dbraw/zinc/37/55/20/1173375520.db2.gz QJBRCMCBZYVFPC-CQSZACIVSA-N 1 3 313.461 2.190 20 0 DEADHO C[NH+](C)CCC(=O)N[C@@H](CNCc1ccccc1F)C(C)(C)C ZINC001423620519 1173451271 /nfs/dbraw/zinc/45/12/71/1173451271.db2.gz KFQHTLIZDYDVJH-INIZCTEOSA-N 1 3 323.456 2.398 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001423637425 1173459696 /nfs/dbraw/zinc/45/96/96/1173459696.db2.gz JHKQPYZUMYVXKX-HOCLYGCPSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001423637422 1173459777 /nfs/dbraw/zinc/45/97/77/1173459777.db2.gz JHKQPYZUMYVXKX-GOEBONIOSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001424087321 1173648416 /nfs/dbraw/zinc/64/84/16/1173648416.db2.gz REQYSCIIFHKJAV-BZUAXINKSA-N 1 3 315.477 2.339 20 0 DEADHO CC[C@@H](C(=O)N1CCC(C)([NH2+]C/C=C/Cl)CC1)N(C)C ZINC001424490533 1173809126 /nfs/dbraw/zinc/80/91/26/1173809126.db2.gz LAUPURRKQXNKLP-PPGNKHEKSA-N 1 3 301.862 2.050 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC[N@H+](CCC2CC2)CC1(C)C)N(C)C ZINC001424514608 1173817032 /nfs/dbraw/zinc/81/70/32/1173817032.db2.gz IONLSVKNERKTEH-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC[N@@H+](CCC2CC2)CC1(C)C)N(C)C ZINC001424514608 1173817033 /nfs/dbraw/zinc/81/70/33/1173817033.db2.gz IONLSVKNERKTEH-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)Cc1ccc(F)cc1 ZINC001425007668 1174102480 /nfs/dbraw/zinc/10/24/80/1174102480.db2.gz XWEITBGPDDCXOH-CQSZACIVSA-N 1 3 321.440 2.104 20 0 DEADHO Cc1cccc(C[N@@H+](C)[C@H](C)CNC(=O)CN2CC[C@H](C)C2)c1 ZINC001425013277 1174109735 /nfs/dbraw/zinc/10/97/35/1174109735.db2.gz RHRYVYJANCAMJS-DLBZAZTESA-N 1 3 317.477 2.273 20 0 DEADHO Cc1cccc(C[N@H+](C)[C@H](C)CNC(=O)CN2CC[C@H](C)C2)c1 ZINC001425013277 1174109748 /nfs/dbraw/zinc/10/97/48/1174109748.db2.gz RHRYVYJANCAMJS-DLBZAZTESA-N 1 3 317.477 2.273 20 0 DEADHO CCCC[C@H](C[NH2+]CC)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001425187237 1174217391 /nfs/dbraw/zinc/21/73/91/1174217391.db2.gz MMFJAUUIURIHFJ-RHSMWYFYSA-N 1 3 315.477 2.483 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CC2CCCC2)C(C)(C)C1 ZINC001425971320 1174545017 /nfs/dbraw/zinc/54/50/17/1174545017.db2.gz KKZUYNOESQAEDN-MRXNPFEDSA-N 1 3 309.498 2.343 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001427989680 1175214239 /nfs/dbraw/zinc/21/42/39/1175214239.db2.gz IQEGHPQTLPUUMY-IAGOWNOFSA-N 1 3 322.497 2.177 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC001427989680 1175214243 /nfs/dbraw/zinc/21/42/43/1175214243.db2.gz IQEGHPQTLPUUMY-IAGOWNOFSA-N 1 3 322.497 2.177 20 0 DEADHO CC(C)(C)N1CC[C@H]1C[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001434532463 1178793428 /nfs/dbraw/zinc/79/34/28/1178793428.db2.gz OOLPSLBKTYMUHS-HFCFLWKCSA-N 1 3 323.525 2.482 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@H]1C[C@H](NCc2ccccc2F)C1 ZINC001436389821 1179076038 /nfs/dbraw/zinc/07/60/38/1179076038.db2.gz DLWQBKYMKXJTBQ-KOMQPUFPSA-N 1 3 321.440 2.152 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@H](NCc2ccccc2F)C1 ZINC001436389821 1179076047 /nfs/dbraw/zinc/07/60/47/1179076047.db2.gz DLWQBKYMKXJTBQ-KOMQPUFPSA-N 1 3 321.440 2.152 20 0 DEADHO CC[C@H](C(=O)N1CCCCC[C@@H](NCCF)C1)[NH+](CC)CC ZINC001436475003 1179130569 /nfs/dbraw/zinc/13/05/69/1179130569.db2.gz JRQVHNVZVNPVSB-HZPDHXFCSA-N 1 3 315.477 2.437 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001437063895 1179384889 /nfs/dbraw/zinc/38/48/89/1179384889.db2.gz KZWKTCWIGBWSBS-WBVHZDCISA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001437063895 1179384894 /nfs/dbraw/zinc/38/48/94/1179384894.db2.gz KZWKTCWIGBWSBS-WBVHZDCISA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCc1ccccc1 ZINC001437135780 1179465771 /nfs/dbraw/zinc/46/57/71/1179465771.db2.gz UMDRYZJQRXWNIB-AEFFLSMTSA-N 1 3 317.477 2.196 20 0 DEADHO CN(CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)Cc1ccccc1 ZINC001437542792 1179841325 /nfs/dbraw/zinc/84/13/25/1179841325.db2.gz VDLAYLQOTWLFIE-ZWKOTPCHSA-N 1 3 317.477 2.355 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2csc(C)c2)C1)N(C)C ZINC001437739613 1179928443 /nfs/dbraw/zinc/92/84/43/1179928443.db2.gz UZFMKVNFDYAWDO-GDBMZVCRSA-N 1 3 323.506 2.335 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2csc(C)c2)C1)N(C)C ZINC001437739613 1179928433 /nfs/dbraw/zinc/92/84/33/1179928433.db2.gz UZFMKVNFDYAWDO-GDBMZVCRSA-N 1 3 323.506 2.335 20 0 DEADHO CC[NH2+][C@H](CNC(=O)C(C)(C)N1CCCC1)c1ccccc1 ZINC001437880414 1180044094 /nfs/dbraw/zinc/04/40/94/1180044094.db2.gz OXHWYWYSCMQHST-MRXNPFEDSA-N 1 3 303.450 2.328 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001439144561 1180896142 /nfs/dbraw/zinc/89/61/42/1180896142.db2.gz OGCVFDLSUTUQMB-MGPQQGTHSA-N 1 3 319.440 2.102 20 0 DEADHO Cc1ccc(CNC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)c(Cl)c1 ZINC001439283450 1180988462 /nfs/dbraw/zinc/98/84/62/1180988462.db2.gz RQBJNDWONAKNMT-ZFWWWQNUSA-N 1 3 323.868 2.194 20 0 DEADHO Cc1ccc(CNC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)c(Cl)c1 ZINC001439283450 1180988486 /nfs/dbraw/zinc/98/84/86/1180988486.db2.gz RQBJNDWONAKNMT-ZFWWWQNUSA-N 1 3 323.868 2.194 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN(C)Cc1ccc(F)cc1 ZINC001439387110 1181064285 /nfs/dbraw/zinc/06/42/85/1181064285.db2.gz MYEAZTZEOCBDCB-CQSZACIVSA-N 1 3 309.429 2.104 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN(C)Cc1ccc(F)cc1 ZINC001439387110 1181064291 /nfs/dbraw/zinc/06/42/91/1181064291.db2.gz MYEAZTZEOCBDCB-CQSZACIVSA-N 1 3 309.429 2.104 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]CC1CC2(CCC2)C1)C1CC1)N(C)C ZINC001439481765 1181107858 /nfs/dbraw/zinc/10/78/58/1181107858.db2.gz SFGDBBBQTOCYBE-IRXDYDNUSA-N 1 3 321.509 2.391 20 0 DEADHO CC(C)(C(=O)NCC1([NH2+]CC2CCCC2)CC1)N1CCCC1 ZINC001439634964 1181178513 /nfs/dbraw/zinc/17/85/13/1181178513.db2.gz QJJUQVAKCWHMRJ-UHFFFAOYSA-N 1 3 307.482 2.289 20 0 DEADHO C[C@@H](NC1(CNC(=O)CCC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001439640414 1181181701 /nfs/dbraw/zinc/18/17/01/1181181701.db2.gz PSVCPTXLRATCJA-CQSZACIVSA-N 1 3 321.440 2.467 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@H+](C[C@H](C)CC)C2)C1 ZINC001439717010 1181208706 /nfs/dbraw/zinc/20/87/06/1181208706.db2.gz LRFIHARIBSBDKW-SJLPKXTDSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@@H+](C[C@H](C)CC)C2)C1 ZINC001439717010 1181208708 /nfs/dbraw/zinc/20/87/08/1181208708.db2.gz LRFIHARIBSBDKW-SJLPKXTDSA-N 1 3 309.498 2.299 20 0 DEADHO CCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001439983147 1181334297 /nfs/dbraw/zinc/33/42/97/1181334297.db2.gz VDGIKSQVDBEDMX-CQSZACIVSA-N 1 3 319.440 2.200 20 0 DEADHO CCCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001439983147 1181334307 /nfs/dbraw/zinc/33/43/07/1181334307.db2.gz VDGIKSQVDBEDMX-CQSZACIVSA-N 1 3 319.440 2.200 20 0 DEADHO C[C@H]([NH2+]CCF)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001440130773 1181362463 /nfs/dbraw/zinc/36/24/63/1181362463.db2.gz XUALUWZBCTWQQQ-YOEHRIQHSA-N 1 3 321.440 2.158 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1CCCCC[C@@H](NCCF)C1 ZINC001440463282 1181533038 /nfs/dbraw/zinc/53/30/38/1181533038.db2.gz FNZIBPNDXWIBMR-OAHLLOKOSA-N 1 3 301.450 2.049 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1CCCCC[C@@H](NCCF)C1 ZINC001440463282 1181533044 /nfs/dbraw/zinc/53/30/44/1181533044.db2.gz FNZIBPNDXWIBMR-OAHLLOKOSA-N 1 3 301.450 2.049 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C)sc2C)C1)N(C)C ZINC001441414715 1181983560 /nfs/dbraw/zinc/98/35/60/1181983560.db2.gz GNGFBSXQSTZTCF-BZUAXINKSA-N 1 3 323.506 2.442 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]C/C=C/c2ccccc2)C1)N(C)C ZINC001441423284 1181987501 /nfs/dbraw/zinc/98/75/01/1181987501.db2.gz ZIXRPWMSLMWRRH-KBEQVROBSA-N 1 3 315.461 2.277 20 0 DEADHO CC(C)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1)N(C)C ZINC001441448258 1181999519 /nfs/dbraw/zinc/99/95/19/1181999519.db2.gz REPGLSQDGQOMLO-FBVQUNGASA-N 1 3 321.509 2.484 20 0 DEADHO CC(C)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1)N(C)C ZINC001441448258 1181999527 /nfs/dbraw/zinc/99/95/27/1181999527.db2.gz REPGLSQDGQOMLO-FBVQUNGASA-N 1 3 321.509 2.484 20 0 DEADHO C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)NCc1ccsc1 ZINC001441581994 1182073117 /nfs/dbraw/zinc/07/31/17/1182073117.db2.gz CKMPNLSLGQUGSE-ZDUSSCGKSA-N 1 3 309.479 2.026 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2)C1 ZINC001441621262 1182094952 /nfs/dbraw/zinc/09/49/52/1182094952.db2.gz SBIJCJVXIXWQGN-GOSISDBHSA-N 1 3 317.477 2.357 20 0 DEADHO C[C@@H]1C[C@@H](NC/C=C/Cl)CN1C(=O)CC[NH+]1CCCCC1 ZINC001441835025 1182205540 /nfs/dbraw/zinc/20/55/40/1182205540.db2.gz MJTYMTXEJNVKTN-IPKOWEFYSA-N 1 3 313.873 2.194 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001441844632 1182210885 /nfs/dbraw/zinc/21/08/85/1182210885.db2.gz HUEJBDDDGADVFP-ZBFHGGJFSA-N 1 3 309.498 2.390 20 0 DEADHO C[C@H](CCNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccccn1 ZINC001442297390 1182409489 /nfs/dbraw/zinc/40/94/89/1182409489.db2.gz SYMOBWQIRYJXME-OAHLLOKOSA-N 1 3 320.481 2.044 20 0 DEADHO Cc1cccc(CN(C)CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001442489298 1182498802 /nfs/dbraw/zinc/49/88/02/1182498802.db2.gz PUXBVVDWNIZDPL-WMZOPIPTSA-N 1 3 317.477 2.273 20 0 DEADHO Cc1cccc(CN(C)CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC001442489298 1182498807 /nfs/dbraw/zinc/49/88/07/1182498807.db2.gz PUXBVVDWNIZDPL-WMZOPIPTSA-N 1 3 317.477 2.273 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[N@@H+](C)CC1CCC2(CC2)CC1 ZINC001442588428 1182555536 /nfs/dbraw/zinc/55/55/36/1182555536.db2.gz AOOXLSGMMJYEEY-UHFFFAOYSA-N 1 3 318.465 2.279 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[N@H+](C)CC1CCC2(CC2)CC1 ZINC001442588428 1182555542 /nfs/dbraw/zinc/55/55/42/1182555542.db2.gz AOOXLSGMMJYEEY-UHFFFAOYSA-N 1 3 318.465 2.279 20 0 DEADHO C[C@@H]([NH2+]CCC1CC1)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001443124569 1182854650 /nfs/dbraw/zinc/85/46/50/1182854650.db2.gz PVIIJHZCYCVNEX-HZPDHXFCSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccsc1 ZINC001443939789 1183213476 /nfs/dbraw/zinc/21/34/76/1183213476.db2.gz VANSBNZFYLTPGC-AWEZNQCLSA-N 1 3 309.479 2.217 20 0 DEADHO C[C@H](CNCc1ccccc1Cl)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001444737804 1183537506 /nfs/dbraw/zinc/53/75/06/1183537506.db2.gz XOXWDEWZZRVTIQ-HIFRSBDPSA-N 1 3 323.868 2.228 20 0 DEADHO C[C@H](CNCc1ccccc1Cl)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001444737804 1183537511 /nfs/dbraw/zinc/53/75/11/1183537511.db2.gz XOXWDEWZZRVTIQ-HIFRSBDPSA-N 1 3 323.868 2.228 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]C/C=C/Cl ZINC001444810022 1183564278 /nfs/dbraw/zinc/56/42/78/1183564278.db2.gz VGIOHFZSZAQKSR-JEELVDDXSA-N 1 3 313.873 2.050 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@H+](CC[C@H](C)F)C2)C1 ZINC001446335569 1184312690 /nfs/dbraw/zinc/31/26/90/1184312690.db2.gz FQSMOSLPDZUXFL-RDJZCZTQSA-N 1 3 313.461 2.001 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@@H+](CC[C@H](C)F)C2)C1 ZINC001446335569 1184312695 /nfs/dbraw/zinc/31/26/95/1184312695.db2.gz FQSMOSLPDZUXFL-RDJZCZTQSA-N 1 3 313.461 2.001 20 0 DEADHO CN(CC(=O)N1CC[C@@]2(CC[N@H+](CC3CC3)C2)C1)CC(C)(C)C ZINC001446358052 1184318864 /nfs/dbraw/zinc/31/88/64/1184318864.db2.gz MWGQDOZSIOYXNJ-LJQANCHMSA-N 1 3 321.509 2.299 20 0 DEADHO CN(CC(=O)N1CC[C@@]2(CC[N@@H+](CC3CC3)C2)C1)CC(C)(C)C ZINC001446358052 1184318869 /nfs/dbraw/zinc/31/88/69/1184318869.db2.gz MWGQDOZSIOYXNJ-LJQANCHMSA-N 1 3 321.509 2.299 20 0 DEADHO CCCN1CCC(F)(F)[C@@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001446723213 1184528671 /nfs/dbraw/zinc/52/86/71/1184528671.db2.gz GQIIOQZJKBFOKD-AWEZNQCLSA-N 1 3 319.440 2.202 20 0 DEADHO CCCN1CCC(F)(F)[C@@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001446723213 1184528681 /nfs/dbraw/zinc/52/86/81/1184528681.db2.gz GQIIOQZJKBFOKD-AWEZNQCLSA-N 1 3 319.440 2.202 20 0 DEADHO CC[NH2+][C@@H](C)c1ccc(CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001447085693 1184631756 /nfs/dbraw/zinc/63/17/56/1184631756.db2.gz HHOKYSGZLGKBGP-AWEZNQCLSA-N 1 3 303.450 2.458 20 0 DEADHO C[C@H](CNC(=O)CC[NH+](C)C)N(C)[C@@H]1CCc2ccc(F)cc21 ZINC001448093536 1185072013 /nfs/dbraw/zinc/07/20/13/1185072013.db2.gz YNVBNDMVDVNDBO-CXAGYDPISA-N 1 3 321.440 2.201 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C)c2)[C@H]1C ZINC001448971514 1185466301 /nfs/dbraw/zinc/46/63/01/1185466301.db2.gz BKVRQJGYAUHTNQ-SJLPKXTDSA-N 1 3 317.477 2.416 20 0 DEADHO CN(C(=O)CC[NH+](C)C)C1CC(NCc2ccccc2Cl)C1 ZINC001449386627 1185691466 /nfs/dbraw/zinc/69/14/66/1185691466.db2.gz SUKRKXCJCOYQSX-UHFFFAOYSA-N 1 3 323.868 2.371 20 0 DEADHO C[C@H]1CCN(CC(=O)NC2(C3CC[NH+](CC4CC4)CC3)CC2)C1 ZINC001449401505 1185702241 /nfs/dbraw/zinc/70/22/41/1185702241.db2.gz NIIARJBELRBWOQ-HNNXBMFYSA-N 1 3 319.493 2.099 20 0 DEADHO C[C@@H]1C[C@H](NC/C=C\Cl)CN1C(=O)CCCC[NH+](C)C ZINC001332045674 1149812790 /nfs/dbraw/zinc/81/27/90/1149812790.db2.gz FJZCABWXMZOTTG-APMKWMSLSA-N 1 3 301.862 2.050 20 0 DEADHO CCCC[N@H+]1C[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001407570085 1165203853 /nfs/dbraw/zinc/20/38/53/1165203853.db2.gz JMLLIOPBVGKYLK-IYBDPMFKSA-N 1 3 309.498 2.155 20 0 DEADHO CCCC[N@@H+]1C[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001407570085 1165203863 /nfs/dbraw/zinc/20/38/63/1165203863.db2.gz JMLLIOPBVGKYLK-IYBDPMFKSA-N 1 3 309.498 2.155 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](CNCCF)C(C)(C)C)[NH+]1CCCC1 ZINC001332897955 1149919146 /nfs/dbraw/zinc/91/91/46/1149919146.db2.gz FNGPCWPTUWNMIK-GJZGRUSLSA-N 1 3 315.477 2.197 20 0 DEADHO CN(CCC[N@H+](C)Cc1ccsc1)C(=O)[C@H]1CCCN1C ZINC001407880148 1165363652 /nfs/dbraw/zinc/36/36/52/1165363652.db2.gz RMCNHDSKABPADW-OAHLLOKOSA-N 1 3 309.479 2.123 20 0 DEADHO CN(CCC[N@@H+](C)Cc1ccsc1)C(=O)[C@H]1CCCN1C ZINC001407880148 1165363657 /nfs/dbraw/zinc/36/36/57/1165363657.db2.gz RMCNHDSKABPADW-OAHLLOKOSA-N 1 3 309.479 2.123 20 0 DEADHO CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106246867 782567169 /nfs/dbraw/zinc/56/71/69/782567169.db2.gz SPTCRYQZIVOQJS-HZPDHXFCSA-N 1 3 307.482 2.121 20 0 DEADHO CCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001106281948 782612175 /nfs/dbraw/zinc/61/21/75/782612175.db2.gz MPYHCVBBVFOOAL-ZACQAIPSSA-N 1 3 311.514 2.447 20 0 DEADHO CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001106666901 782841725 /nfs/dbraw/zinc/84/17/25/782841725.db2.gz ZBNYGRCLKTTWJC-FZGCCYDFSA-N 1 3 321.509 2.369 20 0 DEADHO CC(C)[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001075344555 776586045 /nfs/dbraw/zinc/58/60/45/776586045.db2.gz PKPTVLXXLCQNRL-DLBZAZTESA-N 1 3 309.498 2.201 20 0 DEADHO CN(C)C1(C(=O)NCC2CC([NH2+]CCCCCF)C2)CCC1 ZINC001100405896 776605628 /nfs/dbraw/zinc/60/56/28/776605628.db2.gz RARNHDPLSBGYNE-UHFFFAOYSA-N 1 3 313.461 2.095 20 0 DEADHO CC1(C)CCN(CC(=O)NCCC2(C[NH2+]CC3CCC3)CC2)C1 ZINC001167240340 776792185 /nfs/dbraw/zinc/79/21/85/776792185.db2.gz JGRGAUFPZWWTRN-UHFFFAOYSA-N 1 3 321.509 2.395 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(C)C)C1 ZINC001104363742 777135000 /nfs/dbraw/zinc/13/50/00/777135000.db2.gz FYYKQPFXYHRQTE-HZPDHXFCSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CC1 ZINC001087166082 777165735 /nfs/dbraw/zinc/16/57/35/777165735.db2.gz YFKXDQBFZCEPEG-NJAFHUGGSA-N 1 3 321.509 2.486 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C(C)C)C1 ZINC001105067176 778322584 /nfs/dbraw/zinc/32/25/84/778322584.db2.gz QJKMMDBTNGGZTL-BRWVUGGUSA-N 1 3 309.498 2.343 20 0 DEADHO CC[NH+](CC)CCC[C@@H](C)N1CCN(c2cc(C)ncn2)CC1 ZINC001167835699 778692664 /nfs/dbraw/zinc/69/26/64/778692664.db2.gz SXUBUMMHKDBCHY-QGZVFWFLSA-N 1 3 319.497 2.418 20 0 DEADHO CCOC(=O)[C@@H]1CN([C@@H](C)CCC[NH+](CC)CC)CCS1 ZINC001167840133 778699207 /nfs/dbraw/zinc/69/92/07/778699207.db2.gz DYRSVXOILNEMRR-GJZGRUSLSA-N 1 3 316.511 2.477 20 0 DEADHO CC[C@@H](C(=O)NCCC1=CC[N@H+](CC[C@@H](C)F)CC1)N(C)C ZINC001161239756 778792717 /nfs/dbraw/zinc/79/27/17/778792717.db2.gz MAUOAONCQBKFIG-ZBFHGGJFSA-N 1 3 313.461 2.213 20 0 DEADHO CC[C@@H](C(=O)NCCC1=CC[N@@H+](CC[C@@H](C)F)CC1)N(C)C ZINC001161239756 778792721 /nfs/dbraw/zinc/79/27/21/778792721.db2.gz MAUOAONCQBKFIG-ZBFHGGJFSA-N 1 3 313.461 2.213 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)c2ccccc2CN(C)C)CC[N@@H+]1CC ZINC001087840932 779479343 /nfs/dbraw/zinc/47/93/43/779479343.db2.gz VHOWLNBGLPMJPP-DLBZAZTESA-N 1 3 303.450 2.351 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)c2ccccc2CN(C)C)CC[N@H+]1CC ZINC001087840932 779479347 /nfs/dbraw/zinc/47/93/47/779479347.db2.gz VHOWLNBGLPMJPP-DLBZAZTESA-N 1 3 303.450 2.351 20 0 DEADHO CC[C@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001087992791 779619835 /nfs/dbraw/zinc/61/98/35/779619835.db2.gz MQRBLLQJPCLECZ-BBWFWOEESA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001087992791 779619840 /nfs/dbraw/zinc/61/98/40/779619840.db2.gz MQRBLLQJPCLECZ-BBWFWOEESA-N 1 3 321.509 2.297 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]2C1 ZINC001088002396 779626809 /nfs/dbraw/zinc/62/68/09/779626809.db2.gz DCHRIBBVPOCFDD-IKGGRYGDSA-N 1 3 309.498 2.153 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]2C1 ZINC001088002396 779626817 /nfs/dbraw/zinc/62/68/17/779626817.db2.gz DCHRIBBVPOCFDD-IKGGRYGDSA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCC3CC3)CC[C@@H]2C1)N(C)C ZINC001088095560 779697115 /nfs/dbraw/zinc/69/71/15/779697115.db2.gz UXXIIBWBSVBRJF-FGTMMUONSA-N 1 3 321.509 2.153 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCC3CC3)CC[C@@H]2C1)N(C)C ZINC001088095560 779697119 /nfs/dbraw/zinc/69/71/19/779697119.db2.gz UXXIIBWBSVBRJF-FGTMMUONSA-N 1 3 321.509 2.153 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CCC3CC3)CC[C@@H]2C1 ZINC001088105773 779705743 /nfs/dbraw/zinc/70/57/43/779705743.db2.gz CEZPIMDXJPIXPA-JQHSSLGASA-N 1 3 319.493 2.051 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CCC3CC3)CC[C@@H]2C1 ZINC001088105773 779705749 /nfs/dbraw/zinc/70/57/49/779705749.db2.gz CEZPIMDXJPIXPA-JQHSSLGASA-N 1 3 319.493 2.051 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC(N(C)CCF)CC1 ZINC000985469423 779852844 /nfs/dbraw/zinc/85/28/44/779852844.db2.gz DSCGKOSOYMLCOU-INIZCTEOSA-N 1 3 313.461 2.142 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC(N(C)CCF)CC1 ZINC000985469423 779852851 /nfs/dbraw/zinc/85/28/51/779852851.db2.gz DSCGKOSOYMLCOU-INIZCTEOSA-N 1 3 313.461 2.142 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCCC[C@@H]([NH2+]CCC2CC2)C1 ZINC001088390958 780061487 /nfs/dbraw/zinc/06/14/87/780061487.db2.gz ZVBXEQKQKROUMA-OAHLLOKOSA-N 1 3 304.438 2.113 20 0 DEADHO CC[NH2+]CC1(CCNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001168302602 780815687 /nfs/dbraw/zinc/81/56/87/780815687.db2.gz WZNVTOPFLYFQCA-UHFFFAOYSA-N 1 3 303.450 2.258 20 0 DEADHO CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CC(C)C)[C@H]1C ZINC001088693194 780830046 /nfs/dbraw/zinc/83/00/46/780830046.db2.gz OTERFDOCQFNBOM-IXDOHACOSA-N 1 3 309.498 2.486 20 0 DEADHO CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CC(C)C)[C@H]1C ZINC001088693194 780830053 /nfs/dbraw/zinc/83/00/53/780830053.db2.gz OTERFDOCQFNBOM-IXDOHACOSA-N 1 3 309.498 2.486 20 0 DEADHO O[C@@H]1CCc2ccccc2[C@H]1[NH2+]C1CCN(CC2CC2)CC1 ZINC001168359930 780950746 /nfs/dbraw/zinc/95/07/46/780950746.db2.gz IGBGQZJKZLYCRH-RTBURBONSA-N 1 3 300.446 2.499 20 0 DEADHO OC[C@H](Cc1ccc(F)cc1F)[NH2+]C1CCN(CC2CC2)CC1 ZINC001168370850 781607574 /nfs/dbraw/zinc/60/75/74/781607574.db2.gz GDQGMELJTKNTQO-KRWDZBQOSA-N 1 3 324.415 2.332 20 0 DEADHO CC(C)C(=O)NC1CC[NH+](C2CCN(CC3CC3)CC2)CC1 ZINC001168391948 781782733 /nfs/dbraw/zinc/78/27/33/781782733.db2.gz PFWKSLUXAHIWEQ-UHFFFAOYSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)C(=O)N(C)C1CC[NH+](C2CCN(CC3CC3)CC2)CC1 ZINC001168395331 781787853 /nfs/dbraw/zinc/78/78/53/781787853.db2.gz VMNLZEBHYLJHQI-UHFFFAOYSA-N 1 3 321.509 2.440 20 0 DEADHO CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCC1 ZINC001089846739 783497847 /nfs/dbraw/zinc/49/78/47/783497847.db2.gz PLEROKIMOMKQAK-NXOAAHMSSA-N 1 3 319.493 2.050 20 0 DEADHO CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCC1 ZINC001089846739 783497848 /nfs/dbraw/zinc/49/78/48/783497848.db2.gz PLEROKIMOMKQAK-NXOAAHMSSA-N 1 3 319.493 2.050 20 0 DEADHO CC(C)(C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)N1CCCCC1 ZINC000827636167 783681110 /nfs/dbraw/zinc/68/11/10/783681110.db2.gz YAECEMKQKXLJNQ-UHFFFAOYSA-N 1 3 313.405 2.470 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1CC1CCC1 ZINC001085686783 783964986 /nfs/dbraw/zinc/96/49/86/783964986.db2.gz BOSNSDVXRDUITE-MSOLQXFVSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1CC1CCC1 ZINC001085686783 783964989 /nfs/dbraw/zinc/96/49/89/783964989.db2.gz BOSNSDVXRDUITE-MSOLQXFVSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)N1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085876274 784167138 /nfs/dbraw/zinc/16/71/38/784167138.db2.gz WLECUYPIOGCQCS-KRWDZBQOSA-N 1 3 303.450 2.303 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CC2)C1 ZINC001086364965 784627209 /nfs/dbraw/zinc/62/72/09/784627209.db2.gz ZOYRVSLCHLHZTQ-ULQDDVLXSA-N 1 3 307.482 2.144 20 0 DEADHO CCN(CC)CC(=O)NC[C@@H](C)[N@H+](CC)CC1CC(F)(F)C1 ZINC001155900388 784770298 /nfs/dbraw/zinc/77/02/98/784770298.db2.gz QBMYUBNCYUHUHO-CYBMUJFWSA-N 1 3 319.440 2.200 20 0 DEADHO CCN(CC)CC(=O)NC[C@@H](C)[N@@H+](CC)CC1CC(F)(F)C1 ZINC001155900388 784770308 /nfs/dbraw/zinc/77/03/08/784770308.db2.gz QBMYUBNCYUHUHO-CYBMUJFWSA-N 1 3 319.440 2.200 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CCCN(CCCF)C1 ZINC001007500810 784936871 /nfs/dbraw/zinc/93/68/71/784936871.db2.gz VPZHGFSETREOTP-HOTGVXAUSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CCCN(CCCF)C1 ZINC001007500810 784936876 /nfs/dbraw/zinc/93/68/76/784936876.db2.gz VPZHGFSETREOTP-HOTGVXAUSA-N 1 3 313.461 2.190 20 0 DEADHO CCOC(=O)[C@@H]1CC[C@H]([N@H+](CCCN)C2CCCCC2)CO1 ZINC001169320070 785131799 /nfs/dbraw/zinc/13/17/99/785131799.db2.gz HLGUPWZLDHUVPW-HOTGVXAUSA-N 1 3 312.454 2.081 20 0 DEADHO CCOC(=O)[C@@H]1CC[C@H]([N@@H+](CCCN)C2CCCCC2)CO1 ZINC001169320070 785131801 /nfs/dbraw/zinc/13/18/01/785131801.db2.gz HLGUPWZLDHUVPW-HOTGVXAUSA-N 1 3 312.454 2.081 20 0 DEADHO CCOC(=O)N1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)CC1 ZINC001169664681 785293614 /nfs/dbraw/zinc/29/36/14/785293614.db2.gz QIVGUDWHCVZNQJ-ARFHVFGLSA-N 1 3 311.470 2.460 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CCC[N@H+](CC2CC2)C1)N1CCCCCC1 ZINC001008751347 785295093 /nfs/dbraw/zinc/29/50/93/785295093.db2.gz ZNGCQAJMSCRALH-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CC2)C1)N1CCCCCC1 ZINC001008751347 785295098 /nfs/dbraw/zinc/29/50/98/785295098.db2.gz ZNGCQAJMSCRALH-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001095921508 785316216 /nfs/dbraw/zinc/31/62/16/785316216.db2.gz XMAFANFXEWPGMK-JCECYMMASA-N 1 3 319.493 2.404 20 0 DEADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001095921508 785316225 /nfs/dbraw/zinc/31/62/25/785316225.db2.gz XMAFANFXEWPGMK-JCECYMMASA-N 1 3 319.493 2.404 20 0 DEADHO C[C@H]1CCC[C@@H](CC[NH2+]CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001129364609 785541695 /nfs/dbraw/zinc/54/16/95/785541695.db2.gz YJPGBQVTGSZKBH-HOTGVXAUSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001109688476 785988772 /nfs/dbraw/zinc/98/87/72/785988772.db2.gz RANJDNKQYHKZTH-LTIDMASMSA-N 1 3 309.498 2.340 20 0 DEADHO CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001109688476 785988779 /nfs/dbraw/zinc/98/87/79/785988779.db2.gz RANJDNKQYHKZTH-LTIDMASMSA-N 1 3 309.498 2.340 20 0 DEADHO CC(C)C[C@@H](C)CN1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001112865028 786262481 /nfs/dbraw/zinc/26/24/81/786262481.db2.gz PLAABKUFJYUBDI-BRWVUGGUSA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)C[C@@H](C)CN1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001112865028 786262486 /nfs/dbraw/zinc/26/24/86/786262486.db2.gz PLAABKUFJYUBDI-BRWVUGGUSA-N 1 3 309.498 2.153 20 0 DEADHO Cc1ccccc1CN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001014477257 786597328 /nfs/dbraw/zinc/59/73/28/786597328.db2.gz WCXZSKQUZANYPQ-BPQIPLTHSA-N 1 3 315.461 2.026 20 0 DEADHO Cc1ccccc1CN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001014477257 786597333 /nfs/dbraw/zinc/59/73/33/786597333.db2.gz WCXZSKQUZANYPQ-BPQIPLTHSA-N 1 3 315.461 2.026 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001014475146 786597849 /nfs/dbraw/zinc/59/78/49/786597849.db2.gz KRRJJLGEKCKWFY-DJIMGWMZSA-N 1 3 305.466 2.018 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(CC3=CCCCC3)C2)CC[N@H+]1C ZINC001014475146 786597858 /nfs/dbraw/zinc/59/78/58/786597858.db2.gz KRRJJLGEKCKWFY-DJIMGWMZSA-N 1 3 305.466 2.018 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001015694999 787188083 /nfs/dbraw/zinc/18/80/83/787188083.db2.gz DPVZJXJFTZTVGM-PBHICJAKSA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001015694999 787188087 /nfs/dbraw/zinc/18/80/87/787188087.db2.gz DPVZJXJFTZTVGM-PBHICJAKSA-N 1 3 313.461 2.045 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+]CCNC(=O)[C@@H](C2CC2)N(C)C)c1 ZINC001129442690 787215387 /nfs/dbraw/zinc/21/53/87/787215387.db2.gz CYTHDLNCOWRBIZ-RHSMWYFYSA-N 1 3 303.450 2.102 20 0 DEADHO CC(C)[C@@H](C(=O)NCCN[C@@H](C)c1ccccc1F)[NH+](C)C ZINC001129953323 787263431 /nfs/dbraw/zinc/26/34/31/787263431.db2.gz HNMSGAURKKBRNI-BBRMVZONSA-N 1 3 309.429 2.179 20 0 DEADHO Cc1cc(C)cc(C[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001129947173 787264636 /nfs/dbraw/zinc/26/46/36/787264636.db2.gz MUIOTRFFWHTXNY-KRWDZBQOSA-N 1 3 305.466 2.095 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCCC[C@@H]2C[N@H+](C)CCC2CC2)C1 ZINC001158472570 787764961 /nfs/dbraw/zinc/76/49/61/787764961.db2.gz CCBBLURKSFKESL-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCCC[C@@H]2C[N@@H+](C)CCC2CC2)C1 ZINC001158472570 787764965 /nfs/dbraw/zinc/76/49/65/787764965.db2.gz CCBBLURKSFKESL-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CCCF)C1 ZINC001132152717 787943869 /nfs/dbraw/zinc/94/38/69/787943869.db2.gz HXBYUGRKVKLEMN-KGLIPLIRSA-N 1 3 301.450 2.045 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCF)C1 ZINC001132152717 787943873 /nfs/dbraw/zinc/94/38/73/787943873.db2.gz HXBYUGRKVKLEMN-KGLIPLIRSA-N 1 3 301.450 2.045 20 0 DEADHO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)N(CCCF)C1 ZINC001132152717 787943877 /nfs/dbraw/zinc/94/38/77/787943877.db2.gz HXBYUGRKVKLEMN-KGLIPLIRSA-N 1 3 301.450 2.045 20 0 DEADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)N(CCCF)C1 ZINC001132152717 787943882 /nfs/dbraw/zinc/94/38/82/787943882.db2.gz HXBYUGRKVKLEMN-KGLIPLIRSA-N 1 3 301.450 2.045 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(C)C)C1 ZINC001132937470 788231709 /nfs/dbraw/zinc/23/17/09/788231709.db2.gz LJIQAUOINVMINA-HOTGVXAUSA-N 1 3 311.514 2.447 20 0 DEADHO C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C[NH2+]CCF ZINC001133123100 788288531 /nfs/dbraw/zinc/28/85/31/788288531.db2.gz YRFLAVPCDOHPSZ-GJZGRUSLSA-N 1 3 315.477 2.008 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCC(C)C)C1 ZINC001133255997 788342070 /nfs/dbraw/zinc/34/20/70/788342070.db2.gz YXSUWTFGJCPSMH-SJORKVTESA-N 1 3 311.514 2.449 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]C/C=C/Cl)C1 ZINC001133274588 788346602 /nfs/dbraw/zinc/34/66/02/788346602.db2.gz KMTCCDZPLJJMCH-CJKAQPIMSA-N 1 3 315.889 2.155 20 0 DEADHO Cc1ccc(CNCCNC(=O)C[N@H+]2CCC[C@@H]2C)c(Cl)c1 ZINC001133819384 788618860 /nfs/dbraw/zinc/61/88/60/788618860.db2.gz ANWMNVQDSWOGTA-AWEZNQCLSA-N 1 3 323.868 2.339 20 0 DEADHO Cc1ccc(CNCCNC(=O)C[N@@H+]2CCC[C@@H]2C)c(Cl)c1 ZINC001133819384 788618863 /nfs/dbraw/zinc/61/88/63/788618863.db2.gz ANWMNVQDSWOGTA-AWEZNQCLSA-N 1 3 323.868 2.339 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+]Cc1ccc(C(F)F)cc1)N(C)C ZINC001133963146 788693348 /nfs/dbraw/zinc/69/33/48/788693348.db2.gz QMQHYGYLTZAJSL-AWEZNQCLSA-N 1 3 313.392 2.170 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+]C/C=C/c1ccc(Cl)cc1)N(C)C ZINC001133965676 788695262 /nfs/dbraw/zinc/69/52/62/788695262.db2.gz DRDVIFKPQQWEKF-JFDDCEBESA-N 1 3 323.868 2.399 20 0 DEADHO C[C@H](C[C@@H](C)[NH2+]C/C=C\Cl)NC(=O)CN(C)C1CCC1 ZINC001134608322 789003612 /nfs/dbraw/zinc/00/36/12/789003612.db2.gz UOFADANMPZHORC-UYMHTNOESA-N 1 3 301.862 2.096 20 0 DEADHO C[C@@H](C(=O)NCCNCc1ccsc1)[NH+]1CCCCCC1 ZINC001134759672 789066452 /nfs/dbraw/zinc/06/64/52/789066452.db2.gz XLJMOBCQTIRRSL-AWEZNQCLSA-N 1 3 309.479 2.218 20 0 DEADHO Cc1cccc(C[NH2+]CCNC(=O)[C@H]2CCCCN2C(C)C)c1 ZINC001134759496 789066508 /nfs/dbraw/zinc/06/65/08/789066508.db2.gz QHIQJMHLHBRMCC-GOSISDBHSA-N 1 3 317.477 2.464 20 0 DEADHO C[C@H](C[C@@H](C)[NH2+]CC1CCC1)NC(=O)CN1CCC(C)(C)C1 ZINC001135475722 789365121 /nfs/dbraw/zinc/36/51/21/789365121.db2.gz FNHUEMBYGMNQND-HUUCEWRRSA-N 1 3 309.498 2.391 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001135511342 789380542 /nfs/dbraw/zinc/38/05/42/789380542.db2.gz NSTAZQOGTQDPRD-ZDUSSCGKSA-N 1 3 311.857 2.449 20 0 DEADHO CCCCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(CC)CC ZINC001135705676 789460190 /nfs/dbraw/zinc/46/01/90/789460190.db2.gz HUMOEYDYIGVMCC-HOTGVXAUSA-N 1 3 315.502 2.018 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCOC(C)C ZINC001135979799 789581144 /nfs/dbraw/zinc/58/11/44/789581144.db2.gz JBPFAYWEAYBGCF-HZPDHXFCSA-N 1 3 315.502 2.016 20 0 DEADHO CC(C)C[N@@H+]1C[C@H](NC(=O)C(C)(C)N2CCCC2)CC[C@@H]1C ZINC001071735602 789896868 /nfs/dbraw/zinc/89/68/68/789896868.db2.gz OUVZKBQXFOAKFB-JKSUJKDBSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[N@H+]1C[C@H](NC(=O)C(C)(C)N2CCCC2)CC[C@@H]1C ZINC001071735602 789896870 /nfs/dbraw/zinc/89/68/70/789896870.db2.gz OUVZKBQXFOAKFB-JKSUJKDBSA-N 1 3 309.498 2.486 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)[C@H]2C)c1 ZINC001074561983 791232596 /nfs/dbraw/zinc/23/25/96/791232596.db2.gz SESWRJRZKKHIAJ-RYQLBKOJSA-N 1 3 315.461 2.168 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cccc(F)c2)[C@@H]1C)N(C)C ZINC001074709472 791270985 /nfs/dbraw/zinc/27/09/85/791270985.db2.gz DNAOMXMZJSBQBL-RRQGHBQHSA-N 1 3 321.440 2.245 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CC2CCC(C)CC2)CCN1C(=O)[C@H]1CCCN1C ZINC001074792999 791305918 /nfs/dbraw/zinc/30/59/18/791305918.db2.gz RZIVKXBHSMVOLG-YVZBVZGPSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC(F)(F)F ZINC001146594845 791319393 /nfs/dbraw/zinc/31/93/93/791319393.db2.gz VMOVDUHCKLOSOZ-RYUDHWBXSA-N 1 3 311.392 2.152 20 0 DEADHO CC(C)OCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146600056 791319955 /nfs/dbraw/zinc/31/99/55/791319955.db2.gz FDCJVUYUFYCHDO-HOTGVXAUSA-N 1 3 315.502 2.015 20 0 DEADHO CC[N@H+](C)CCC(=O)NCCNCc1ccc(C(C)C)nc1C ZINC001146718476 791348757 /nfs/dbraw/zinc/34/87/57/791348757.db2.gz CEVMSCVKOKPTRY-UHFFFAOYSA-N 1 3 320.481 2.061 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCCNCc1ccc(C(C)C)nc1C ZINC001146718476 791348760 /nfs/dbraw/zinc/34/87/60/791348760.db2.gz CEVMSCVKOKPTRY-UHFFFAOYSA-N 1 3 320.481 2.061 20 0 DEADHO CCC[NH+](CCC)CCCC(=O)NCCNC/C=C\Cl ZINC001147450084 791550355 /nfs/dbraw/zinc/55/03/55/791550355.db2.gz YGDPLLWZXGWPCJ-VURMDHGXSA-N 1 3 303.878 2.347 20 0 DEADHO CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001075281323 791554671 /nfs/dbraw/zinc/55/46/71/791554671.db2.gz KDOFXFCSDBJAFM-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001147724251 791605486 /nfs/dbraw/zinc/60/54/86/791605486.db2.gz IPWTZJLYCXIKTF-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001147724251 791605491 /nfs/dbraw/zinc/60/54/91/791605491.db2.gz IPWTZJLYCXIKTF-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCNCc2ccsc2)C1 ZINC001147833742 791633469 /nfs/dbraw/zinc/63/34/69/791633469.db2.gz AWDIFSKGXBYSLU-GJZGRUSLSA-N 1 3 309.479 2.074 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+]Cc1ccc2ccccc2c1 ZINC001148641964 791780037 /nfs/dbraw/zinc/78/00/37/791780037.db2.gz AEMVXZYUNYLNNI-UHFFFAOYSA-N 1 3 313.445 2.387 20 0 DEADHO CCCOc1cccc(C[NH2+]CCNC(=O)CN(C)CCC)c1 ZINC001148641983 791780602 /nfs/dbraw/zinc/78/06/02/791780602.db2.gz AZZIJEUNYOKLAU-UHFFFAOYSA-N 1 3 321.465 2.023 20 0 DEADHO CC(C)[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCCN3C)C2)CC1 ZINC001086907946 791845822 /nfs/dbraw/zinc/84/58/22/791845822.db2.gz JBXBCVKQWVPBIA-HOTGVXAUSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001086942432 791857911 /nfs/dbraw/zinc/85/79/11/791857911.db2.gz QSUXUDBQYAYKOG-DLBZAZTESA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2C[N@H+](CC3CCC3)C[C@@]2(C)C1 ZINC001092011190 791923152 /nfs/dbraw/zinc/92/31/52/791923152.db2.gz SFMPFHIETVJXOR-SUMDDJOVSA-N 1 3 319.493 2.051 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2C[N@@H+](CC3CCC3)C[C@@]2(C)C1 ZINC001092011190 791923155 /nfs/dbraw/zinc/92/31/55/791923155.db2.gz SFMPFHIETVJXOR-SUMDDJOVSA-N 1 3 319.493 2.051 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1CC([NH2+]CCC(C)(C)C)C1)N(C)C ZINC001100426550 792642625 /nfs/dbraw/zinc/64/26/25/792642625.db2.gz NMQIXHIWTKLJFX-GPANFISMSA-N 1 3 311.514 2.493 20 0 DEADHO CCCN(C)CC(=O)NCC1CC([NH2+]C[C@@H](C)CC(C)C)C1 ZINC001100901592 792908061 /nfs/dbraw/zinc/90/80/61/792908061.db2.gz DGAOWAYJVUSDLS-GTPINHCMSA-N 1 3 311.514 2.495 20 0 DEADHO CCC(CC)C[NH2+]C1CC(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001100920974 792918862 /nfs/dbraw/zinc/91/88/62/792918862.db2.gz KKMPCTRUXACSRG-UHFFFAOYSA-N 1 3 306.454 2.181 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]C/C=C\Cl)N(C)C ZINC001171509445 793117764 /nfs/dbraw/zinc/11/77/64/793117764.db2.gz QISKMEMDOYZNEE-WWMKKXEUSA-N 1 3 303.878 2.344 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1cnoc1C)N(C)C ZINC001171509473 793118637 /nfs/dbraw/zinc/11/86/37/793118637.db2.gz QPPSNGQBYYOTDG-XJKSGUPXSA-N 1 3 324.469 2.088 20 0 DEADHO CCCCC[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101364290 793134045 /nfs/dbraw/zinc/13/40/45/793134045.db2.gz QTSHVKSIACUKRH-SCTDSRPQSA-N 1 3 321.509 2.441 20 0 DEADHO CCCCC[N@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101364290 793134047 /nfs/dbraw/zinc/13/40/47/793134047.db2.gz QTSHVKSIACUKRH-SCTDSRPQSA-N 1 3 321.509 2.441 20 0 DEADHO CN1C(C)(C)CC([NH2+][C@@H]2CCC[C@H]2N2CCOCC2)CC1(C)C ZINC001171625918 793156493 /nfs/dbraw/zinc/15/64/93/793156493.db2.gz PTJMOGCOHLITTQ-IAGOWNOFSA-N 1 3 323.525 2.481 20 0 DEADHO C[NH+]1C(C)(C)CC(N[C@@H]2CCC[C@H]2N2CCOCC2)CC1(C)C ZINC001171625918 793156500 /nfs/dbraw/zinc/15/65/00/793156500.db2.gz PTJMOGCOHLITTQ-IAGOWNOFSA-N 1 3 323.525 2.481 20 0 DEADHO CN1C(C)(C)CC([NH2+][C@H]2CCC[C@@H]2N2CCOCC2)CC1(C)C ZINC001171625919 793156949 /nfs/dbraw/zinc/15/69/49/793156949.db2.gz PTJMOGCOHLITTQ-IRXDYDNUSA-N 1 3 323.525 2.481 20 0 DEADHO C[NH+]1C(C)(C)CC(N[C@H]2CCC[C@@H]2N2CCOCC2)CC1(C)C ZINC001171625919 793156952 /nfs/dbraw/zinc/15/69/52/793156952.db2.gz PTJMOGCOHLITTQ-IRXDYDNUSA-N 1 3 323.525 2.481 20 0 DEADHO CN(C)C(=O)N[C@@H]1CCC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171641662 793174574 /nfs/dbraw/zinc/17/45/74/793174574.db2.gz SJXDGYSYEVVZIB-CQSZACIVSA-N 1 3 324.513 2.373 20 0 DEADHO CN(C)C(=O)N[C@@H]1CCC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171641662 793174577 /nfs/dbraw/zinc/17/45/77/793174577.db2.gz SJXDGYSYEVVZIB-CQSZACIVSA-N 1 3 324.513 2.373 20 0 DEADHO CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001101547664 793224465 /nfs/dbraw/zinc/22/44/65/793224465.db2.gz LJJKBSUMYVXFOF-MRXNPFEDSA-N 1 3 309.498 2.201 20 0 DEADHO CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001101570959 793237996 /nfs/dbraw/zinc/23/79/96/793237996.db2.gz BHVBXPJXMOHCOA-MRXNPFEDSA-N 1 3 311.514 2.447 20 0 DEADHO O[C@H](CF)CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172079545 793312289 /nfs/dbraw/zinc/31/22/89/793312289.db2.gz OWMZIBSFHMVADD-ZJPYXAASSA-N 1 3 306.425 2.492 20 0 DEADHO O[C@H](CF)CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172079545 793312297 /nfs/dbraw/zinc/31/22/97/793312297.db2.gz OWMZIBSFHMVADD-ZJPYXAASSA-N 1 3 306.425 2.492 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[C@H](Oc3ncccn3)C1)C2 ZINC001172133219 793323436 /nfs/dbraw/zinc/32/34/36/793323436.db2.gz PYGBIUOHRRYALK-YVSFHVDLSA-N 1 3 316.449 2.335 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[C@H](Oc3ncccn3)C1)C2 ZINC001172133219 793323445 /nfs/dbraw/zinc/32/34/45/793323445.db2.gz PYGBIUOHRRYALK-YVSFHVDLSA-N 1 3 316.449 2.335 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCC(=O)NCc1ccccc1)C2 ZINC001172106163 793328596 /nfs/dbraw/zinc/32/85/96/793328596.db2.gz MZAFORHKZAGCKY-BCDXTJNWSA-N 1 3 315.461 2.298 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCC(=O)NCc1ccccc1)C2 ZINC001172106163 793328604 /nfs/dbraw/zinc/32/86/04/793328604.db2.gz MZAFORHKZAGCKY-BCDXTJNWSA-N 1 3 315.461 2.298 20 0 DEADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H]1COc3ccccc3O1)C2 ZINC001172103711 793329595 /nfs/dbraw/zinc/32/95/95/793329595.db2.gz WVEJBTZSVLMRKJ-JONQDZQNSA-N 1 3 302.418 2.431 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@H]1COc3ccccc3O1)C2 ZINC001172103711 793329604 /nfs/dbraw/zinc/32/96/04/793329604.db2.gz WVEJBTZSVLMRKJ-JONQDZQNSA-N 1 3 302.418 2.431 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@H]1COc3ccccc3O1)C2 ZINC001172103711 793329613 /nfs/dbraw/zinc/32/96/13/793329613.db2.gz WVEJBTZSVLMRKJ-JONQDZQNSA-N 1 3 302.418 2.431 20 0 DEADHO Cc1ccc2c(c1)C[C@H](N1CCN(CC[NH+](C)C)CC1)CC2 ZINC001172839914 793514213 /nfs/dbraw/zinc/51/42/13/793514213.db2.gz XYVHAAVNWQXLJJ-LJQANCHMSA-N 1 3 301.478 2.032 20 0 DEADHO CC[NH+](CC)C1CCC(N2CC[C@](F)(C(=O)OC)C2)CC1 ZINC001173110337 793581453 /nfs/dbraw/zinc/58/14/53/793581453.db2.gz RQGARPSTWYPJJP-ZBCRRDGASA-N 1 3 300.418 2.226 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@@H+](CCCCCF)C[C@H]1C ZINC001102531973 793643397 /nfs/dbraw/zinc/64/33/97/793643397.db2.gz NYJQUOSJKDXIPB-UKRRQHHQSA-N 1 3 324.444 2.085 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@H+](CCCCCF)C[C@H]1C ZINC001102531973 793643400 /nfs/dbraw/zinc/64/34/00/793643400.db2.gz NYJQUOSJKDXIPB-UKRRQHHQSA-N 1 3 324.444 2.085 20 0 DEADHO CC[C@H]1CC[C@@H](N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2[NH3+])C1 ZINC001173273517 793654463 /nfs/dbraw/zinc/65/44/63/793654463.db2.gz FPNLGKXLZYTJBJ-YJNKXOJESA-N 1 3 311.470 2.491 20 0 DEADHO [NH3+]C1(CC2CCC2)CCN([C@@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173741990 793830598 /nfs/dbraw/zinc/83/05/98/793830598.db2.gz JVMFAJPXGFJMDB-HZPDHXFCSA-N 1 3 318.469 2.140 20 0 DEADHO CC(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001103435928 794092693 /nfs/dbraw/zinc/09/26/93/794092693.db2.gz DRNRELXUYGZBCX-KZNAEPCWSA-N 1 3 323.525 2.449 20 0 DEADHO CC(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001103435928 794092702 /nfs/dbraw/zinc/09/27/02/794092702.db2.gz DRNRELXUYGZBCX-KZNAEPCWSA-N 1 3 323.525 2.449 20 0 DEADHO C[C@@H](CCCC[NH2+]CC1CCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001175263755 794173138 /nfs/dbraw/zinc/17/31/38/794173138.db2.gz QZHDPLKVBDWDDS-CVEARBPZSA-N 1 3 309.498 2.393 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]C/C=C/Cl)N(C)C ZINC001175305751 794177735 /nfs/dbraw/zinc/17/77/35/794177735.db2.gz QISKMEMDOYZNEE-OJYSIEITSA-N 1 3 303.878 2.344 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103755387 794213761 /nfs/dbraw/zinc/21/37/61/794213761.db2.gz FLWHGAJYWODFLA-IAGOWNOFSA-N 1 3 309.498 2.367 20 0 DEADHO CC(C)=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103755387 794213768 /nfs/dbraw/zinc/21/37/68/794213768.db2.gz FLWHGAJYWODFLA-IAGOWNOFSA-N 1 3 309.498 2.367 20 0 DEADHO CC(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103755629 794214829 /nfs/dbraw/zinc/21/48/29/794214829.db2.gz NAJGDMTYRKMHKP-IAGOWNOFSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103755629 794214835 /nfs/dbraw/zinc/21/48/35/794214835.db2.gz NAJGDMTYRKMHKP-IAGOWNOFSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CCF ZINC001175572712 794245734 /nfs/dbraw/zinc/24/57/34/794245734.db2.gz KHPUGDPKJJMWRV-HZPDHXFCSA-N 1 3 315.477 2.483 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]CCOC(C)C ZINC001176293823 794392156 /nfs/dbraw/zinc/39/21/56/794392156.db2.gz VJTMJZUOTRDVSF-INIZCTEOSA-N 1 3 315.502 2.018 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]C/C=C\Cl ZINC001176292969 794392770 /nfs/dbraw/zinc/39/27/70/794392770.db2.gz OHOOVIZGBSOUEG-IUCKJTJTSA-N 1 3 303.878 2.345 20 0 DEADHO OCc1cc(Nc2ccc(CCN3CCOCC3)cc2)cc[nH+]1 ZINC001176380566 794409534 /nfs/dbraw/zinc/40/95/34/794409534.db2.gz ZHTUPDDQJHSHIK-UHFFFAOYSA-N 1 3 313.401 2.192 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[NH2+]Cc1ccc(Cl)cc1 ZINC001176971549 794543928 /nfs/dbraw/zinc/54/39/28/794543928.db2.gz COBDRMVDNCBQBT-UHFFFAOYSA-N 1 3 311.857 2.276 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001176975886 794545127 /nfs/dbraw/zinc/54/51/27/794545127.db2.gz ZBNLXFQPFDHRLE-UHFFFAOYSA-N 1 3 316.449 2.104 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[NH2+]CCCc1ccccc1 ZINC001176986792 794548719 /nfs/dbraw/zinc/54/87/19/794548719.db2.gz VUKLXRMICDESLR-UHFFFAOYSA-N 1 3 305.466 2.055 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CC1CC(F)(F)C1 ZINC001176991441 794551986 /nfs/dbraw/zinc/55/19/86/794551986.db2.gz BAVIQJQQRMRPCR-CQSZACIVSA-N 1 3 317.424 2.002 20 0 DEADHO CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCN1CCC)C2 ZINC001112382382 794617091 /nfs/dbraw/zinc/61/70/91/794617091.db2.gz VMVGVJPIEPKFQF-LNLFQRSKSA-N 1 3 321.509 2.489 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cn(C)nc2CC)[C@H](C)C1 ZINC001177844635 794762775 /nfs/dbraw/zinc/76/27/75/794762775.db2.gz SIQRDXIHJUFGAP-CRAIPNDOSA-N 1 3 322.497 2.209 20 0 DEADHO CN(C)[C@H](C(=O)NCCCCCC[NH2+]C/C=C\Cl)C1CC1 ZINC001178698842 794980834 /nfs/dbraw/zinc/98/08/34/794980834.db2.gz WMTSAUXDVAMRJX-XMELGKRDSA-N 1 3 315.889 2.345 20 0 DEADHO CC(C)CCC[NH2+][C@H]1CCN(C(=O)CN2CCC[C@H]2C)[C@H]1C ZINC001179534409 795126593 /nfs/dbraw/zinc/12/65/93/795126593.db2.gz KYULWMGOIFQSNU-IKGGRYGDSA-N 1 3 309.498 2.486 20 0 DEADHO CC/C=C\CC[NH2+][C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)[C@H]1C ZINC001179538396 795134664 /nfs/dbraw/zinc/13/46/64/795134664.db2.gz CLLKSKRSGJYXHM-FTOHCMMFSA-N 1 3 307.482 2.264 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCCCCF)[C@@H]2C)C1 ZINC001179539440 795134697 /nfs/dbraw/zinc/13/46/97/795134697.db2.gz XWGYLGBLNNJEHO-PMPSAXMXSA-N 1 3 313.461 2.047 20 0 DEADHO CC/C=C\CC[NH2+][C@H]1CCN(C(=O)CN2CC[C@H](C)C2)[C@H]1C ZINC001179538397 795134745 /nfs/dbraw/zinc/13/47/45/795134745.db2.gz CLLKSKRSGJYXHM-ORIYOMJCSA-N 1 3 307.482 2.264 20 0 DEADHO CC[C@@H](C(=O)NCCCCCC[NH2+]Cc1cnc(C)o1)N(C)C ZINC001179609715 795142955 /nfs/dbraw/zinc/14/29/55/795142955.db2.gz YTXWUXFKFADNNH-INIZCTEOSA-N 1 3 324.469 2.089 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2)[C@@H]1C ZINC001179763311 795174892 /nfs/dbraw/zinc/17/48/92/795174892.db2.gz GPXNYGXPGBKUKE-WMZOPIPTSA-N 1 3 317.477 2.416 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCCC2CCC2)[C@@H]1C ZINC001179983386 795214457 /nfs/dbraw/zinc/21/44/57/795214457.db2.gz ZHQNFSKIULRKIR-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO CCN(CC)CC(=O)N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001180391449 795288989 /nfs/dbraw/zinc/28/89/89/795288989.db2.gz WCORWMBPWLFSEQ-UHFFFAOYSA-N 1 3 307.482 2.084 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+]CCCF)CCCCC1 ZINC001120208414 795422180 /nfs/dbraw/zinc/42/21/80/795422180.db2.gz ZBPBSTMMZVIGLO-UHFFFAOYSA-N 1 3 301.450 2.095 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CC2CC2)C1 ZINC001120468175 795466082 /nfs/dbraw/zinc/46/60/82/795466082.db2.gz DHMYJGHLDUSTFM-ZWKOTPCHSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CC2CC2)C1 ZINC001120468175 795466087 /nfs/dbraw/zinc/46/60/87/795466087.db2.gz DHMYJGHLDUSTFM-ZWKOTPCHSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)[C@H](C(=O)NC1CC2(C1)CC([NH2+]CCC1CC1)C2)C1CC1 ZINC001121247076 795607559 /nfs/dbraw/zinc/60/75/59/795607559.db2.gz WZMRWIRQGXQLDA-RFSHTEQGSA-N 1 3 319.493 2.144 20 0 DEADHO CC[C@@H](F)C[NH2+]C1CC2(CC(NC(=O)CN(CC)CC)C2)C1 ZINC001121935883 795706763 /nfs/dbraw/zinc/70/67/63/795706763.db2.gz XGKDINOMJLISHP-HOUHCIJLSA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)CC[NH2+]C[C@]1(C)CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001182629644 795714478 /nfs/dbraw/zinc/71/44/78/795714478.db2.gz KYQHVPKSDFNBQX-YQVWRLOYSA-N 1 3 323.525 2.449 20 0 DEADHO CCCN(C)CC(=O)NC1CC2(C1)CC([NH2+]CCC(C)C)C2 ZINC001122106282 795726600 /nfs/dbraw/zinc/72/66/00/795726600.db2.gz DBKSWUPZDYJAMA-UHFFFAOYSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@]1([NH3+])CCCN(CCOCCOCc2ccccc2)CC1 ZINC001205255011 795804281 /nfs/dbraw/zinc/80/42/81/795804281.db2.gz DPZRSTFQKYVAAD-GOSISDBHSA-N 1 3 306.450 2.423 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@H](C[NH2+]CCCF)[C@H](C)C1 ZINC001184714379 796109319 /nfs/dbraw/zinc/10/93/19/796109319.db2.gz YACMFPRMHYBOTE-HUUCEWRRSA-N 1 3 315.477 2.151 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1C[NH2+]CC1CC1 ZINC001185171481 796201927 /nfs/dbraw/zinc/20/19/27/796201927.db2.gz WLBCHPYNWXYAPW-NVXWUHKLSA-N 1 3 323.525 2.449 20 0 DEADHO CCCCC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001185214040 796214099 /nfs/dbraw/zinc/21/40/99/796214099.db2.gz GLVFBRJEWHAWQV-CABCVRRESA-N 1 3 306.454 2.217 20 0 DEADHO CCC[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001185380724 796245470 /nfs/dbraw/zinc/24/54/70/796245470.db2.gz MFYPROVQLGWPPY-IAGOWNOFSA-N 1 3 309.498 2.203 20 0 DEADHO Cn1ccc2c1cccc2CN1CCN(CCC[NH+](C)C)CC1 ZINC001139159093 796336217 /nfs/dbraw/zinc/33/62/17/796336217.db2.gz HRHJKKNNEFAPPP-UHFFFAOYSA-N 1 3 314.477 2.248 20 0 DEADHO CN1CC[NH+](C2CCN(Cc3ccc4cccnc4c3)CC2)CC1 ZINC001139169251 796337027 /nfs/dbraw/zinc/33/70/27/796337027.db2.gz LEHLGMBTKFAHLC-UHFFFAOYSA-N 1 3 324.472 2.447 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC001186486621 796407918 /nfs/dbraw/zinc/40/79/18/796407918.db2.gz CELGPQCZXASDMG-AEFFLSMTSA-N 1 3 315.461 2.206 20 0 DEADHO CCN(CC)CC(=O)N1CCC([NH2+]Cc2ccc(C)cc2)CC1 ZINC001203006242 796483911 /nfs/dbraw/zinc/48/39/11/796483911.db2.gz WRALUZMMQUONGB-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(CC)cc2)C1 ZINC001187321551 796517338 /nfs/dbraw/zinc/51/73/38/796517338.db2.gz DBSAJTAHSGPLGX-GOSISDBHSA-N 1 3 317.477 2.281 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001187306106 796522484 /nfs/dbraw/zinc/52/24/84/796522484.db2.gz CWXILBKXZJPVCV-WMLDXEAASA-N 1 3 321.440 2.419 20 0 DEADHO CC(C)=CC[NH2+]C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001203041667 796528204 /nfs/dbraw/zinc/52/82/04/796528204.db2.gz JCSDMDVLUFGLHZ-UHFFFAOYSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001188139600 796631756 /nfs/dbraw/zinc/63/17/56/796631756.db2.gz PSVXCTVRHROKNL-WMLDXEAASA-N 1 3 321.440 2.417 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[C@H]([NH2+]CC(C)C)C12CCC2 ZINC001203100893 796647277 /nfs/dbraw/zinc/64/72/77/796647277.db2.gz BGYWGXOMINIHEG-LSDHHAIUSA-N 1 3 309.498 2.390 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]CCCF)C12CCC2 ZINC001203101695 796648959 /nfs/dbraw/zinc/64/89/59/796648959.db2.gz FVNWRPCHDUJNSA-KGLIPLIRSA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)N(C)CC(=O)NCC[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC001152426302 797185536 /nfs/dbraw/zinc/18/55/36/797185536.db2.gz FRKQNOTVYUIYLL-MRXNPFEDSA-N 1 3 323.868 2.373 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001152479714 797194108 /nfs/dbraw/zinc/19/41/08/797194108.db2.gz JIKANJXYYOMAFJ-RHSMWYFYSA-N 1 3 321.440 2.467 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CCCCCF)C2)C1 ZINC001192355604 797371906 /nfs/dbraw/zinc/37/19/06/797371906.db2.gz RFTPVZRETRSKQX-HZPDHXFCSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CCCCCF)C2)C1 ZINC001192355604 797371913 /nfs/dbraw/zinc/37/19/13/797371913.db2.gz RFTPVZRETRSKQX-HZPDHXFCSA-N 1 3 313.461 2.001 20 0 DEADHO C[N@H+](CCCC1CCC1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192550488 797404967 /nfs/dbraw/zinc/40/49/67/797404967.db2.gz IKWNTQQUMZRTEO-MRXNPFEDSA-N 1 3 304.438 2.065 20 0 DEADHO C[N@@H+](CCCC1CCC1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192550488 797404971 /nfs/dbraw/zinc/40/49/71/797404971.db2.gz IKWNTQQUMZRTEO-MRXNPFEDSA-N 1 3 304.438 2.065 20 0 DEADHO CC[N@H+](CC[C@H](C)F)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001153854702 797410924 /nfs/dbraw/zinc/41/09/24/797410924.db2.gz RLSWLMWJGPFGAB-UONOGXRCSA-N 1 3 301.450 2.045 20 0 DEADHO CC[N@@H+](CC[C@H](C)F)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001153854702 797410926 /nfs/dbraw/zinc/41/09/26/797410926.db2.gz RLSWLMWJGPFGAB-UONOGXRCSA-N 1 3 301.450 2.045 20 0 DEADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cccc2[nH]cc(C)c21 ZINC001154085565 797459607 /nfs/dbraw/zinc/45/96/07/797459607.db2.gz YZNKAPGBPYUISQ-UHFFFAOYSA-N 1 3 315.421 2.154 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)CC2CC3(CCC3)C2)C1 ZINC001193642996 797600105 /nfs/dbraw/zinc/60/01/05/797600105.db2.gz PDVNTWHYYUWCHU-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)CC2CC3(CCC3)C2)C1 ZINC001193642996 797600110 /nfs/dbraw/zinc/60/01/10/797600110.db2.gz PDVNTWHYYUWCHU-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CCC/C=C/CC[N@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194041648 797668439 /nfs/dbraw/zinc/66/84/39/797668439.db2.gz YAOKHGSWYFUKDR-RTRPANQVSA-N 1 3 307.482 2.361 20 0 DEADHO CCC/C=C/CC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194041648 797668443 /nfs/dbraw/zinc/66/84/43/797668443.db2.gz YAOKHGSWYFUKDR-RTRPANQVSA-N 1 3 307.482 2.361 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)CCC2CCCC2)C1 ZINC001194296286 797710584 /nfs/dbraw/zinc/71/05/84/797710584.db2.gz YZVYQKJTIKQXPQ-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001194296286 797710590 /nfs/dbraw/zinc/71/05/90/797710590.db2.gz YZVYQKJTIKQXPQ-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CCN(CC)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(F)cc1 ZINC001155900297 797876993 /nfs/dbraw/zinc/87/69/93/797876993.db2.gz KPATYYYGSDJDIH-OAHLLOKOSA-N 1 3 323.456 2.494 20 0 DEADHO CCN(CC)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(F)cc1 ZINC001155900297 797876999 /nfs/dbraw/zinc/87/69/99/797876999.db2.gz KPATYYYGSDJDIH-OAHLLOKOSA-N 1 3 323.456 2.494 20 0 DEADHO [NH3+]C1CCN(c2cccc(NCc3ccc4nonc4c3)n2)CC1 ZINC001156265889 797961204 /nfs/dbraw/zinc/96/12/04/797961204.db2.gz JFAVFINDSLTLTA-UHFFFAOYSA-N 1 3 324.388 2.157 20 0 DEADHO CC/C=C/CC[N@@H+]1CCCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001197158913 798157523 /nfs/dbraw/zinc/15/75/23/798157523.db2.gz YITUMOFUNUXCHX-BDUNBXCCSA-N 1 3 307.482 2.219 20 0 DEADHO CC/C=C/CC[N@H+]1CCCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001197158913 798157525 /nfs/dbraw/zinc/15/75/25/798157525.db2.gz YITUMOFUNUXCHX-BDUNBXCCSA-N 1 3 307.482 2.219 20 0 DEADHO Cc1cc(C)nc(N2CCN(CC3CC[NH+](C)CC3)CC2)c1 ZINC001157837335 798290117 /nfs/dbraw/zinc/29/01/17/798290117.db2.gz SNJNBNMWZXKMOM-UHFFFAOYSA-N 1 3 302.466 2.162 20 0 DEADHO C[C@H]1CN(C(=O)[C@@H](N)CCCC[NH+](C)C)Cc2ccccc21 ZINC001157981300 798320392 /nfs/dbraw/zinc/32/03/92/798320392.db2.gz AMOGYMYSVYFAIY-YOEHRIQHSA-N 1 3 303.450 2.192 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCCC[C@@H]2C[N@H+](C)CCCF)C1 ZINC001158473578 798413008 /nfs/dbraw/zinc/41/30/08/798413008.db2.gz NLKMMSKNAMYKSG-JKSUJKDBSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCCC[C@@H]2C[N@@H+](C)CCCF)C1 ZINC001158473578 798413009 /nfs/dbraw/zinc/41/30/09/798413009.db2.gz NLKMMSKNAMYKSG-JKSUJKDBSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@H]([NH2+]CCCNC(=O)C1(N(C)C)CCC1)c1ccccc1F ZINC001159861312 798619603 /nfs/dbraw/zinc/61/96/03/798619603.db2.gz MOWIHZIDLJPJPE-AWEZNQCLSA-N 1 3 321.440 2.467 20 0 DEADHO CN(C)[C@H](C(=O)NCCC[NH2+]Cc1ccc(CF)cc1)C1CC1 ZINC001159915327 798624795 /nfs/dbraw/zinc/62/47/95/798624795.db2.gz JOPBIRVBXUOFNC-KRWDZBQOSA-N 1 3 321.440 2.092 20 0 DEADHO CN(C)[C@@H](C(=O)NCCC[NH2+]Cc1cccc(Cl)c1)C1CC1 ZINC001159915674 798625083 /nfs/dbraw/zinc/62/50/83/798625083.db2.gz LSQYYQPLWRHJNI-MRXNPFEDSA-N 1 3 323.868 2.276 20 0 DEADHO CN(C)[C@H](C(=O)NCCC[NH2+]Cc1ccccc1Cl)C1CC1 ZINC001159916323 798625543 /nfs/dbraw/zinc/62/55/43/798625543.db2.gz QXRZKQULRBCPTC-INIZCTEOSA-N 1 3 323.868 2.276 20 0 DEADHO C[C@H]([NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C)c1cccc(F)c1 ZINC001159932609 798627886 /nfs/dbraw/zinc/62/78/86/798627886.db2.gz SNLBFTZSOCORFM-GUYCJALGSA-N 1 3 321.440 2.323 20 0 DEADHO Cc1ccc(F)c(C[NH2+]CCCNC(=O)[C@H](C2CC2)N(C)C)c1 ZINC001159933039 798628146 /nfs/dbraw/zinc/62/81/46/798628146.db2.gz YIXZKPQXVHAQOU-KRWDZBQOSA-N 1 3 321.440 2.070 20 0 DEADHO CCCC[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001160367140 798680310 /nfs/dbraw/zinc/68/03/10/798680310.db2.gz ARXKPHNLPKQION-KRWDZBQOSA-N 1 3 307.482 2.265 20 0 DEADHO CCCC[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001160367140 798680313 /nfs/dbraw/zinc/68/03/13/798680313.db2.gz ARXKPHNLPKQION-KRWDZBQOSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC1=CC[N@H+](CCCF)CC1)N(C)C ZINC001160406349 798684302 /nfs/dbraw/zinc/68/43/02/798684302.db2.gz NZOCNEOQWPEKOL-INIZCTEOSA-N 1 3 313.461 2.071 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC1=CC[N@@H+](CCCF)CC1)N(C)C ZINC001160406349 798684303 /nfs/dbraw/zinc/68/43/03/798684303.db2.gz NZOCNEOQWPEKOL-INIZCTEOSA-N 1 3 313.461 2.071 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]CCC(F)(F)F)CC1)N(C)C ZINC001201149919 798716118 /nfs/dbraw/zinc/71/61/18/798716118.db2.gz PAWGNRDVLYGUIP-ZDUSSCGKSA-N 1 3 323.403 2.106 20 0 DEADHO Cc1nc(N(C)C)cc(N(Cc2ccccc2)C[C@@H](C)C[NH3+])n1 ZINC001160660343 798717100 /nfs/dbraw/zinc/71/71/00/798717100.db2.gz KOVLYBJFQREZAO-AWEZNQCLSA-N 1 3 313.449 2.452 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+]CCCc1ccccc1C)N(C)C ZINC001160890007 798755929 /nfs/dbraw/zinc/75/59/29/798755929.db2.gz SKWYQUKMHVNKFY-GOSISDBHSA-N 1 3 319.493 2.364 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+][C@H](C)c1cccc(C)c1)N(C)C ZINC001160889070 798756418 /nfs/dbraw/zinc/75/64/18/798756418.db2.gz BCMAOIUJYOXLKJ-NVXWUHKLSA-N 1 3 305.466 2.492 20 0 DEADHO CC(C)C[C@@](C)([NH3+])C(=O)N(C)CCN(C)Cc1ccccc1 ZINC001161161729 798803515 /nfs/dbraw/zinc/80/35/15/798803515.db2.gz YNPPCHKEHYXXIN-GOSISDBHSA-N 1 3 305.466 2.340 20 0 DEADHO CN(CCN(C)C(=O)[C@@H]([NH3+])C1CCCCC1)Cc1ccccc1 ZINC001161158298 798804232 /nfs/dbraw/zinc/80/42/32/798804232.db2.gz CJUAKJOGBLFJMH-SFHVURJKSA-N 1 3 317.477 2.484 20 0 DEADHO Cc1cc(F)cc(C)c1C(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001161449728 798860256 /nfs/dbraw/zinc/86/02/56/798860256.db2.gz QWDVTMIVGORTRW-INIZCTEOSA-N 1 3 321.440 2.198 20 0 DEADHO CN1CCN(CCCNc2ccc([C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC001161712000 798920321 /nfs/dbraw/zinc/92/03/21/798920321.db2.gz WKOZQXQRIORXNX-GOSISDBHSA-N 1 3 316.493 2.203 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC1 ZINC001110738919 799001934 /nfs/dbraw/zinc/00/19/34/799001934.db2.gz ZKVRBRBIXOUZAK-OAGGEKHMSA-N 1 3 307.482 2.238 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1 ZINC001110738919 799001940 /nfs/dbraw/zinc/00/19/40/799001940.db2.gz ZKVRBRBIXOUZAK-OAGGEKHMSA-N 1 3 307.482 2.238 20 0 DEADHO CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1CCC ZINC001114368986 799072827 /nfs/dbraw/zinc/07/28/27/799072827.db2.gz WWFAIHLWDAWXAV-XDNAFOTISA-N 1 3 321.509 2.488 20 0 DEADHO CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1CCC ZINC001114368986 799072831 /nfs/dbraw/zinc/07/28/31/799072831.db2.gz WWFAIHLWDAWXAV-XDNAFOTISA-N 1 3 321.509 2.488 20 0 DEADHO CCC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001114438472 799110555 /nfs/dbraw/zinc/11/05/55/799110555.db2.gz CBGLLIQQWJYQPZ-MNAVSBBPSA-N 1 3 321.509 2.365 20 0 DEADHO CCC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001114438472 799110560 /nfs/dbraw/zinc/11/05/60/799110560.db2.gz CBGLLIQQWJYQPZ-MNAVSBBPSA-N 1 3 321.509 2.365 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCCC3)C[C@H]21)N(C)C ZINC001114443242 799113746 /nfs/dbraw/zinc/11/37/46/799113746.db2.gz YLPUPYSDNXIBOY-MLHJIOFPSA-N 1 3 321.509 2.199 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCCC3)C[C@H]21)N(C)C ZINC001114443242 799113748 /nfs/dbraw/zinc/11/37/48/799113748.db2.gz YLPUPYSDNXIBOY-MLHJIOFPSA-N 1 3 321.509 2.199 20 0 DEADHO C[C@H](N)c1nc2ccccc2n1-c1c[nH+]ccc1N1CCOCC1 ZINC001162765764 799168940 /nfs/dbraw/zinc/16/89/40/799168940.db2.gz JOGRBKBUROTDJI-ZDUSSCGKSA-N 1 3 323.400 2.277 20 0 DEADHO CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](C(C)C)N(C)C ZINC001162924513 799202759 /nfs/dbraw/zinc/20/27/59/799202759.db2.gz PRMHWAXSARIMBP-GOSISDBHSA-N 1 3 319.493 2.253 20 0 DEADHO CCN(CC)CCNC(=[NH2+])Nc1nc(C)nc2ccsc21 ZINC001163122344 799252346 /nfs/dbraw/zinc/25/23/46/799252346.db2.gz GPQIDYSUDBJNKY-UHFFFAOYSA-N 1 3 306.439 2.278 20 0 DEADHO O=C(CC[NH2+]CC1CC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000717152617 799256656 /nfs/dbraw/zinc/25/66/56/799256656.db2.gz TXBJNPPUJZCTGG-SFHVURJKSA-N 1 3 315.461 2.157 20 0 DEADHO c1cc(N[C@H]2CCCC[C@@]23CNCCO3)ncc1[C@@H]1CCC[NH2+]1 ZINC001163646649 799394754 /nfs/dbraw/zinc/39/47/54/799394754.db2.gz VGUAEAHNHFDNDU-XYJFISCASA-N 1 3 316.449 2.219 20 0 DEADHO Nc1cccc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)n1 ZINC001165265274 799690717 /nfs/dbraw/zinc/69/07/17/799690717.db2.gz PIMYWRBOJDGGNV-LBPRGKRZSA-N 1 3 300.328 2.175 20 0 DEADHO Cc1cccc(C[NH2+]CCCNC(=O)CN2CCC[C@H]2C)c1 ZINC001166626811 799905309 /nfs/dbraw/zinc/90/53/09/799905309.db2.gz JWAMMBGPJVONGP-MRXNPFEDSA-N 1 3 303.450 2.075 20 0 DEADHO Cc1ccc(C)c(C[NH2+]CCCNC(=O)CN2CC[C@H](C)C2)c1 ZINC001166667998 799915385 /nfs/dbraw/zinc/91/53/85/799915385.db2.gz NRBVYDWIQLDSRO-INIZCTEOSA-N 1 3 317.477 2.241 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166676683 799917998 /nfs/dbraw/zinc/91/79/98/799917998.db2.gz BCCIHYQBSHMKFQ-AWEZNQCLSA-N 1 3 321.440 2.072 20 0 DEADHO C[C@@H]([NH2+]CCCNC(=O)CN1CC[C@H](C)C1)c1cccc(F)c1 ZINC001166677576 799918219 /nfs/dbraw/zinc/91/82/19/799918219.db2.gz KHUQCHQVOFIKGH-LSDHHAIUSA-N 1 3 321.440 2.324 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+]CCCc1cccc(C)c1)N(C)C ZINC001166858071 799966987 /nfs/dbraw/zinc/96/69/87/799966987.db2.gz MJNSQZOQVIKFDJ-SFHVURJKSA-N 1 3 319.493 2.364 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001166858692 799967154 /nfs/dbraw/zinc/96/71/54/799967154.db2.gz XKSWOSNGIHCZKH-INIZCTEOSA-N 1 3 309.429 2.070 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCC(C)C)C12CCC2 ZINC001203630231 800094592 /nfs/dbraw/zinc/09/45/92/800094592.db2.gz FNPNPNDGSBOBAP-HOTGVXAUSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203794720 800123714 /nfs/dbraw/zinc/12/37/14/800123714.db2.gz XZFUCPJIEATPEZ-HOTGVXAUSA-N 1 3 307.482 2.310 20 0 DEADHO CO[C@@H](C)C1CN(Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001204270850 800196827 /nfs/dbraw/zinc/19/68/27/800196827.db2.gz CWYUACOSWPDOLG-HNNXBMFYSA-N 1 3 306.450 2.484 20 0 DEADHO Cc1ccc(CN2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)cc1F ZINC001205228748 800323738 /nfs/dbraw/zinc/32/37/38/800323738.db2.gz YSMUUTPZEKYYRC-ZWKOTPCHSA-N 1 3 305.441 2.344 20 0 DEADHO Cc1ccc(CN2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)cc1F ZINC001205228748 800323745 /nfs/dbraw/zinc/32/37/45/800323745.db2.gz YSMUUTPZEKYYRC-ZWKOTPCHSA-N 1 3 305.441 2.344 20 0 DEADHO CCCCC[NH2+]CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001205469808 800360944 /nfs/dbraw/zinc/36/09/44/800360944.db2.gz ZRWCXOFFXBADID-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@H]1CCN(Cc2cnc(C(F)(F)F)nc2)CC[C@H]1C[NH3+] ZINC001205627363 800389840 /nfs/dbraw/zinc/38/98/40/800389840.db2.gz OKTZHGVQYLJYTK-PWSUYJOCSA-N 1 3 302.344 2.302 20 0 DEADHO CCOC(=O)c1cccc(CN2CC[C@@H](C)[C@@H](C[NH3+])CC2)n1 ZINC001205654205 800395035 /nfs/dbraw/zinc/39/50/35/800395035.db2.gz WRSVCXCPAJGOBY-ZIAGYGMSSA-N 1 3 305.422 2.065 20 0 DEADHO C[C@@H]1CC[C@H](CN)[N@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC001205814764 800425246 /nfs/dbraw/zinc/42/52/46/800425246.db2.gz DGEUNRAAEJTTDK-VQIMIIECSA-N 1 3 317.477 2.078 20 0 DEADHO C[C@@H]1CC[C@H](CN)[N@@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC001205814764 800425248 /nfs/dbraw/zinc/42/52/48/800425248.db2.gz DGEUNRAAEJTTDK-VQIMIIECSA-N 1 3 317.477 2.078 20 0 DEADHO N[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@H]1F ZINC001206164559 800482210 /nfs/dbraw/zinc/48/22/10/800482210.db2.gz KJZRVRQGFWEYEC-HUUCEWRRSA-N 1 3 306.360 2.477 20 0 DEADHO N[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@H]1F ZINC001206164559 800482215 /nfs/dbraw/zinc/48/22/15/800482215.db2.gz KJZRVRQGFWEYEC-HUUCEWRRSA-N 1 3 306.360 2.477 20 0 DEADHO CC(C)CC[NH2+]CC1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001206273893 800499772 /nfs/dbraw/zinc/49/97/72/800499772.db2.gz CPCUJIRUTUSHOX-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO COC(=O)Cc1ccc(CN2CCCC[C@@](C)(C[NH3+])C2)cc1 ZINC001206556736 800554644 /nfs/dbraw/zinc/55/46/44/800554644.db2.gz WKVRKFTUPADFLR-SFHVURJKSA-N 1 3 304.434 2.353 20 0 DEADHO CC(C)(C[N@@H+]1CCCC[C@H]1CCN1CCCC1)N1CCOCC1 ZINC001207303667 800726280 /nfs/dbraw/zinc/72/62/80/800726280.db2.gz NCHWWRPFWGEDTA-SFHVURJKSA-N 1 3 323.525 2.438 20 0 DEADHO CC(C)(C[N@H+]1CCCC[C@H]1CCN1CCCC1)N1CCOCC1 ZINC001207303667 800726282 /nfs/dbraw/zinc/72/62/82/800726282.db2.gz NCHWWRPFWGEDTA-SFHVURJKSA-N 1 3 323.525 2.438 20 0 DEADHO C[NH+](C)C[C@@]12C[C@@H]1CN(CCC1CN(C(=O)OC(C)(C)C)C1)C2 ZINC001207769711 800828112 /nfs/dbraw/zinc/82/81/12/800828112.db2.gz FIZORPCEQOZXDK-CRAIPNDOSA-N 1 3 323.481 2.127 20 0 DEADHO c1cnn(CCCN2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001208077693 800908133 /nfs/dbraw/zinc/90/81/33/800908133.db2.gz AIPZAXQDELZIMY-RTBURBONSA-N 1 3 310.445 2.337 20 0 DEADHO CN(C)CC[N@@H+]1C[C@@H]2CCC[C@H](N(C)Cc3ccccn3)[C@H]2C1 ZINC001208125897 800917313 /nfs/dbraw/zinc/91/73/13/800917313.db2.gz ASIIBJMFLWRJFM-WDSOQIARSA-N 1 3 316.493 2.176 20 0 DEADHO CN(C)CC[N@H+]1C[C@@H]2CCC[C@H](N(C)Cc3ccccn3)[C@H]2C1 ZINC001208125897 800917316 /nfs/dbraw/zinc/91/73/16/800917316.db2.gz ASIIBJMFLWRJFM-WDSOQIARSA-N 1 3 316.493 2.176 20 0 DEADHO CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001208335184 800957918 /nfs/dbraw/zinc/95/79/18/800957918.db2.gz ROUYYKAZVVEIII-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO C[N@@H+]1CCC[C@@H](CN2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001208606445 801028474 /nfs/dbraw/zinc/02/84/74/801028474.db2.gz GEDXAAGTGSXRQC-OAHLLOKOSA-N 1 3 323.481 2.271 20 0 DEADHO C[N@H+]1CCC[C@@H](CN2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001208606445 801028482 /nfs/dbraw/zinc/02/84/82/801028482.db2.gz GEDXAAGTGSXRQC-OAHLLOKOSA-N 1 3 323.481 2.271 20 0 DEADHO COC(=O)[C@H](C)C[N@@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001208723144 801055124 /nfs/dbraw/zinc/05/51/24/801055124.db2.gz MKHKKZXGRNZJED-KBAYOESNSA-N 1 3 316.445 2.249 20 0 DEADHO COC(=O)[C@H](C)C[N@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001208723144 801055129 /nfs/dbraw/zinc/05/51/29/801055129.db2.gz MKHKKZXGRNZJED-KBAYOESNSA-N 1 3 316.445 2.249 20 0 DEADHO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN(C[C@H]3C[C@H]3C)CC2)C1 ZINC001209419838 801189339 /nfs/dbraw/zinc/18/93/39/801189339.db2.gz ZFMOQCYGEYXBSR-BZUAXINKSA-N 1 3 308.466 2.382 20 0 DEADHO CCOC(=O)[C@@H]1CCC[N@H+](C2CCN(C[C@H]3C[C@H]3C)CC2)C1 ZINC001209419838 801189344 /nfs/dbraw/zinc/18/93/44/801189344.db2.gz ZFMOQCYGEYXBSR-BZUAXINKSA-N 1 3 308.466 2.382 20 0 DEADHO CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001209633202 801240900 /nfs/dbraw/zinc/24/09/00/801240900.db2.gz SQDWLLDIMWFDSA-ADDHZHGLSA-N 1 3 307.482 2.408 20 0 DEADHO C[C@@H](F)CC[NH+]1CCC(NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001229214086 801242949 /nfs/dbraw/zinc/24/29/49/801242949.db2.gz AIQUPZRMJOQVMX-CQSZACIVSA-N 1 3 315.477 2.293 20 0 DEADHO CCCCCC[NH2+][C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001209643742 801244677 /nfs/dbraw/zinc/24/46/77/801244677.db2.gz WGQUNAJVKUCTKB-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001230611346 801437134 /nfs/dbraw/zinc/43/71/34/801437134.db2.gz QRGQZPCJWBWIAA-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001230611346 801437138 /nfs/dbraw/zinc/43/71/38/801437138.db2.gz QRGQZPCJWBWIAA-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001214998251 801788488 /nfs/dbraw/zinc/78/84/88/801788488.db2.gz STYZEKKGRWANHU-VXGBXAGGSA-N 1 3 323.403 2.106 20 0 DEADHO COCCCN1CCN(Cc2cc(F)cc(C[NH+](C)C)c2)CC1 ZINC001232146209 801799108 /nfs/dbraw/zinc/79/91/08/801799108.db2.gz LOGQSKVFNSSZMY-UHFFFAOYSA-N 1 3 323.456 2.041 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001216851577 802034335 /nfs/dbraw/zinc/03/43/35/802034335.db2.gz ASJWMOHQNOVNRB-RHSMWYFYSA-N 1 3 321.440 2.102 20 0 DEADHO Cc1noc2nc(O[C@H]3CC[N@@H+](C(C)C)C3)c3c(c12)CCNC3 ZINC001218293115 802164896 /nfs/dbraw/zinc/16/48/96/802164896.db2.gz WKUMBGJZLGQQML-LBPRGKRZSA-N 1 3 316.405 2.038 20 0 DEADHO Cc1noc2nc(O[C@H]3CC[N@H+](C(C)C)C3)c3c(c12)CCNC3 ZINC001218293115 802164900 /nfs/dbraw/zinc/16/49/00/802164900.db2.gz WKUMBGJZLGQQML-LBPRGKRZSA-N 1 3 316.405 2.038 20 0 DEADHO O=C(Nc1cc([C@H]2CCCN2)no1)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001218714398 802231622 /nfs/dbraw/zinc/23/16/22/802231622.db2.gz YFJJYPLIULYHIA-CHWSQXEVSA-N 1 3 318.421 2.208 20 0 DEADHO O=C(Nc1ccccc1Cc1ccccc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218948412 802263771 /nfs/dbraw/zinc/26/37/71/802263771.db2.gz OOXICZVVTDBWLD-KRWDZBQOSA-N 1 3 321.424 2.025 20 0 DEADHO O=C(Nc1cccc2c1CNC2)c1cccc(O[C@@H]2CC[NH2+]C2)c1 ZINC001218993768 802271961 /nfs/dbraw/zinc/27/19/61/802271961.db2.gz ROPQAVAJYRCPGK-MRXNPFEDSA-N 1 3 323.396 2.283 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc2c[nH]nc2c1Cl ZINC001219441561 802331185 /nfs/dbraw/zinc/33/11/85/802331185.db2.gz IXHBTCAQHIXLLQ-NSHDSACASA-N 1 3 323.828 2.214 20 0 DEADHO CC[NH+](CC)CCNC(=O)[C@@H]1CCC[C@@H](c2ccccc2)N1 ZINC001219555804 802345965 /nfs/dbraw/zinc/34/59/65/802345965.db2.gz SMXFXCKEDNQINX-IRXDYDNUSA-N 1 3 303.450 2.328 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)NC(C)(C)c1cccc(F)c1 ZINC001220394763 802454041 /nfs/dbraw/zinc/45/40/41/802454041.db2.gz MTGIDOKQIGQNSY-HNNXBMFYSA-N 1 3 309.429 2.236 20 0 DEADHO [NH3+]C1(CNC(=O)[C@H]2CCC[C@@H](c3ccccc3)N2)CCCC1 ZINC001220496380 802467660 /nfs/dbraw/zinc/46/76/60/802467660.db2.gz BNBSMUOISCVJES-JKSUJKDBSA-N 1 3 301.434 2.258 20 0 DEADHO CC(C)[C@]1(C(=O)NCCc2cnc3cc[nH]cc2-3)CCC[NH2+]C1 ZINC001220866172 802506899 /nfs/dbraw/zinc/50/68/99/802506899.db2.gz RVONVCYLUWOUTJ-SFHVURJKSA-N 1 3 314.433 2.247 20 0 DEADHO CC(C)[C@]1(C(=O)NCCc2c[nH]c3ccncc23)CCC[NH2+]C1 ZINC001220866172 802506903 /nfs/dbraw/zinc/50/69/03/802506903.db2.gz RVONVCYLUWOUTJ-SFHVURJKSA-N 1 3 314.433 2.247 20 0 DEADHO CC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001221793126 802615696 /nfs/dbraw/zinc/61/56/96/802615696.db2.gz PPGNNKAKNBIJQZ-RCKLCRPTSA-N 1 3 321.509 2.462 20 0 DEADHO CC/C=C/CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001221793126 802615698 /nfs/dbraw/zinc/61/56/98/802615698.db2.gz PPGNNKAKNBIJQZ-RCKLCRPTSA-N 1 3 321.509 2.462 20 0 DEADHO Cc1ccc2c(c1)C1(CN2)CC[NH+](CC[C@@H]2CNCCO2)CC1 ZINC001222477815 802692003 /nfs/dbraw/zinc/69/20/03/802692003.db2.gz RWFBWWZBKTUHTH-MRXNPFEDSA-N 1 3 315.461 2.133 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CCC3CC3)[C@H]2C1 ZINC001223023678 802759049 /nfs/dbraw/zinc/75/90/49/802759049.db2.gz LUKWZOPGGPXIBG-SJORKVTESA-N 1 3 321.509 2.440 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](CCC3CC3)[C@H]2C1 ZINC001223023678 802759054 /nfs/dbraw/zinc/75/90/54/802759054.db2.gz LUKWZOPGGPXIBG-SJORKVTESA-N 1 3 321.509 2.440 20 0 DEADHO C[NH+](C)CCC(=O)NCC1CCN(Cc2ccccc2F)CC1 ZINC001224326894 802858074 /nfs/dbraw/zinc/85/80/74/802858074.db2.gz VNXLTDCXAZWQIF-UHFFFAOYSA-N 1 3 321.440 2.106 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1CC[NH+](CCC2CC2)CC1 ZINC001225541342 802979757 /nfs/dbraw/zinc/97/97/57/802979757.db2.gz AKTCZCHRJVMBKC-HOTGVXAUSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CCC[NH+]1CCC(NC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001227817169 803284033 /nfs/dbraw/zinc/28/40/33/803284033.db2.gz KFHWZSAZABWUMC-QGZVFWFLSA-N 1 3 309.498 2.343 20 0 DEADHO CC1CC[NH+](C2CCC(Nc3ccncc3CO)CC2)CC1 ZINC001334182172 1150224349 /nfs/dbraw/zinc/22/43/49/1150224349.db2.gz GNDUARYJCYONKF-UHFFFAOYSA-N 1 3 303.450 2.451 20 0 DEADHO C[C@H](CCC[NH2+]CCC(F)(F)F)NC(=O)C1(N(C)C)CCC1 ZINC001330834363 1149310174 /nfs/dbraw/zinc/31/01/74/1149310174.db2.gz BTMFMXXSZVVJKE-GFCCVEGCSA-N 1 3 323.403 2.298 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]C/C=C/Cl)C1CC1 ZINC001419250069 1168346140 /nfs/dbraw/zinc/34/61/40/1168346140.db2.gz KEFCSBWIIISCHL-GMLRFVCHSA-N 1 3 313.873 2.096 20 0 DEADHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@H](C)[NH2+]Cc1cccnc1 ZINC001368861831 1148726937 /nfs/dbraw/zinc/72/69/37/1148726937.db2.gz BDRNNDTVEKZSQA-LSDHHAIUSA-N 1 3 320.481 2.042 20 0 DEADHO Cc1ccc(CN[C@H]2CCN(C(=O)CC[NH+](C)C)C2)c(Cl)c1 ZINC001370398773 1149646042 /nfs/dbraw/zinc/64/60/42/1149646042.db2.gz XGSQGLRQROLUOU-HNNXBMFYSA-N 1 3 323.868 2.291 20 0 DEADHO CN(C)CCN(C(=O)CCSCCC[NH3+])c1ccccc1 ZINC001343407549 1150739695 /nfs/dbraw/zinc/73/96/95/1150739695.db2.gz FNBJMGPADSFRRI-UHFFFAOYSA-N 1 3 309.479 2.053 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[N@H+](C)CCCF ZINC001368937479 1148788790 /nfs/dbraw/zinc/78/87/90/1148788790.db2.gz BUASGMBPPMZWDY-AWEZNQCLSA-N 1 3 301.450 2.047 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[N@@H+](C)CCCF ZINC001368937479 1148788802 /nfs/dbraw/zinc/78/88/02/1148788802.db2.gz BUASGMBPPMZWDY-AWEZNQCLSA-N 1 3 301.450 2.047 20 0 DEADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC001575126513 1069372657 /nfs/dbraw/zinc/37/26/57/1069372657.db2.gz WSVQDLXMKDLGDU-SFHVURJKSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+]2C[C@@H]3CCC[C@@]3(N)C2)C1 ZINC001575188061 1069388322 /nfs/dbraw/zinc/38/83/22/1069388322.db2.gz WCFCXJNHVGDDSK-RVKKMQEKSA-N 1 3 323.481 2.447 20 0 DEADHO CC(C)(C)OC(=O)N1CCC[C@H](C[N@H+]2C[C@@H]3CCC[C@@]3(N)C2)C1 ZINC001575188061 1069388326 /nfs/dbraw/zinc/38/83/26/1069388326.db2.gz WCFCXJNHVGDDSK-RVKKMQEKSA-N 1 3 323.481 2.447 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2CC2)CCC1 ZINC001368485052 1148463279 /nfs/dbraw/zinc/46/32/79/1148463279.db2.gz SBSXLVLAGGQCKO-MRXNPFEDSA-N 1 3 307.482 2.288 20 0 DEADHO CC[C@H](F)C[N@@H+]1CCC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001368529904 1148480327 /nfs/dbraw/zinc/48/03/27/1148480327.db2.gz ZJHGJSXIQCFTGB-GJZGRUSLSA-N 1 3 301.450 2.045 20 0 DEADHO CC[C@H](F)C[N@H+]1CCC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001368529904 1148480329 /nfs/dbraw/zinc/48/03/29/1148480329.db2.gz ZJHGJSXIQCFTGB-GJZGRUSLSA-N 1 3 301.450 2.045 20 0 DEADHO CC/C=C/CC[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001328796690 1148836528 /nfs/dbraw/zinc/83/65/28/1148836528.db2.gz JQGXLHHGTAUPLD-BDUNBXCCSA-N 1 3 307.482 2.361 20 0 DEADHO CC/C=C/CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001328796690 1148836531 /nfs/dbraw/zinc/83/65/31/1148836531.db2.gz JQGXLHHGTAUPLD-BDUNBXCCSA-N 1 3 307.482 2.361 20 0 DEADHO CCC[NH+]1CC([C@H](C)NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001369088221 1148846543 /nfs/dbraw/zinc/84/65/43/1148846543.db2.gz HPWUMDZTRVFTRN-SUMWQHHRSA-N 1 3 313.461 2.045 20 0 DEADHO C[C@H](NC(=O)CN1CC[C@@H](C)C1)C1C[NH+](CCC2CCCC2)C1 ZINC001369091069 1148846788 /nfs/dbraw/zinc/84/67/88/1148846788.db2.gz LYJOJWVKYIXTMU-CVEARBPZSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1)N(C)C ZINC001454883230 1057607372 /nfs/dbraw/zinc/60/73/72/1057607372.db2.gz VMAIFABTSLWTIY-SJORKVTESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1)N(C)C ZINC001454883230 1057607375 /nfs/dbraw/zinc/60/73/75/1057607375.db2.gz VMAIFABTSLWTIY-SJORKVTESA-N 1 3 309.498 2.486 20 0 DEADHO CN(CCC[N@H+](C)CCc1ccccc1)C(=O)CN1CCCC1 ZINC001502396977 1060107576 /nfs/dbraw/zinc/10/75/76/1060107576.db2.gz LWSUJJPFJOGPOF-UHFFFAOYSA-N 1 3 317.477 2.105 20 0 DEADHO CN(CCC[N@@H+](C)CCc1ccccc1)C(=O)CN1CCCC1 ZINC001502396977 1060107584 /nfs/dbraw/zinc/10/75/84/1060107584.db2.gz LWSUJJPFJOGPOF-UHFFFAOYSA-N 1 3 317.477 2.105 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001369172514 1148860755 /nfs/dbraw/zinc/86/07/55/1148860755.db2.gz BUHPRISNKJTJRS-XIRDDKMYSA-N 1 3 321.440 2.150 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCC[C@H]2CNCCF)C1 ZINC001505408280 1060543046 /nfs/dbraw/zinc/54/30/46/1060543046.db2.gz PATRUUGHZFHOAN-CVEARBPZSA-N 1 3 313.461 2.049 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCCC[C@H]2CNCCF)C1 ZINC001505408280 1060543069 /nfs/dbraw/zinc/54/30/69/1060543069.db2.gz PATRUUGHZFHOAN-CVEARBPZSA-N 1 3 313.461 2.049 20 0 DEADHO CC1(C)OCC[C@@H]1C[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001474636436 1060910070 /nfs/dbraw/zinc/91/00/70/1060910070.db2.gz KLTRYGXVTCIRQZ-KLHKWILBSA-N 1 3 310.482 2.425 20 0 DEADHO C[C@H]1[C@H](NC(=O)N(CC[NH+](C)C)CC2CCCCC2)CCN1C ZINC001479377107 1061426814 /nfs/dbraw/zinc/42/68/14/1061426814.db2.gz UFTGHMKVXXEIAS-DOTOQJQBSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCCCCF)[C@@H]1C)N(C)C ZINC001479719295 1061639118 /nfs/dbraw/zinc/63/91/18/1061639118.db2.gz RYKORTIYDSNGHM-OWCLPIDISA-N 1 3 315.477 2.291 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CCCCCF)[C@@H]1C)N(C)C ZINC001479719295 1061639124 /nfs/dbraw/zinc/63/91/24/1061639124.db2.gz RYKORTIYDSNGHM-OWCLPIDISA-N 1 3 315.477 2.291 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]([NH2+]Cc2ccsc2)C2CC2)CCC1 ZINC001480021878 1062198204 /nfs/dbraw/zinc/19/82/04/1062198204.db2.gz AIBXYEBJQNTLKZ-HNNXBMFYSA-N 1 3 321.490 2.217 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C2CC2)C1 ZINC001480047031 1062238497 /nfs/dbraw/zinc/23/84/97/1062238497.db2.gz NVFZNLMDLDPXOP-GDBMZVCRSA-N 1 3 309.498 2.249 20 0 DEADHO C[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C1C[NH+](CCC2CC2)C1 ZINC001506661996 1062254090 /nfs/dbraw/zinc/25/40/90/1062254090.db2.gz ROEWJRWQUZTNQZ-HZPDHXFCSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2C)C1 ZINC001480168574 1062418346 /nfs/dbraw/zinc/41/83/46/1062418346.db2.gz PJRDMHIKKYDQSD-QAQDUYKDSA-N 1 3 321.440 2.213 20 0 DEADHO CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)C)N(C)C ZINC001480179935 1062433976 /nfs/dbraw/zinc/43/39/76/1062433976.db2.gz ROCWOHOUQWAOBG-NPYXIHBLSA-N 1 3 309.498 2.484 20 0 DEADHO CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C)N(C)C ZINC001480179935 1062433983 /nfs/dbraw/zinc/43/39/83/1062433983.db2.gz ROCWOHOUQWAOBG-NPYXIHBLSA-N 1 3 309.498 2.484 20 0 DEADHO C[C@@H](CCC[NH2+]C/C=C\Cl)NC(=O)C1(N(C)C)CCC1 ZINC001506924559 1062536208 /nfs/dbraw/zinc/53/62/08/1062536208.db2.gz OGPXHZSCIPTZAY-HKBVPSITSA-N 1 3 301.862 2.098 20 0 DEADHO C[C@@H](CCC[NH2+]Cc1ccsc1)NC(=O)CN1CC[C@H](C)C1 ZINC001506938515 1062555176 /nfs/dbraw/zinc/55/51/76/1062555176.db2.gz TWGSTDDKRRCHRQ-GJZGRUSLSA-N 1 3 323.506 2.464 20 0 DEADHO CC(C)CC[NH2+]C[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001480295935 1062599992 /nfs/dbraw/zinc/59/99/92/1062599992.db2.gz MXGMFSSHKADKLP-IRXDYDNUSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)[C@H](C[NH2+]CC2CCCC2)C2CC2)C1 ZINC001507026383 1062689273 /nfs/dbraw/zinc/68/92/73/1062689273.db2.gz CCAIJKAQLLCELH-MAUKXSAKSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@@H](F)CN[C@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001480490307 1062935308 /nfs/dbraw/zinc/93/53/08/1062935308.db2.gz GJRVIPUJKIGWKM-ZIAGYGMSSA-N 1 3 315.477 2.482 20 0 DEADHO CC[C@@H](F)CN[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001480490307 1062935329 /nfs/dbraw/zinc/93/53/29/1062935329.db2.gz GJRVIPUJKIGWKM-ZIAGYGMSSA-N 1 3 315.477 2.482 20 0 DEADHO CC[C@@H](F)CN[C@@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001480490306 1062936211 /nfs/dbraw/zinc/93/62/11/1062936211.db2.gz GJRVIPUJKIGWKM-UONOGXRCSA-N 1 3 315.477 2.482 20 0 DEADHO CC[C@@H](F)CN[C@@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001480490306 1062936243 /nfs/dbraw/zinc/93/62/43/1062936243.db2.gz GJRVIPUJKIGWKM-UONOGXRCSA-N 1 3 315.477 2.482 20 0 DEADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCc1ccsc1 ZINC001480527891 1062985085 /nfs/dbraw/zinc/98/50/85/1062985085.db2.gz XPNZYFPWYOLWPC-YDHLFZDLSA-N 1 3 309.479 2.073 20 0 DEADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCc1ccsc1 ZINC001480527891 1062985109 /nfs/dbraw/zinc/98/51/09/1062985109.db2.gz XPNZYFPWYOLWPC-YDHLFZDLSA-N 1 3 309.479 2.073 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CNC(=O)CN2CC[C@H](C)C2)c(C)c1 ZINC001480537893 1063000566 /nfs/dbraw/zinc/00/05/66/1063000566.db2.gz RAUHPNFAAXXNLF-DOTOQJQBSA-N 1 3 317.477 2.240 20 0 DEADHO C[C@@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CC1CCC1 ZINC001480538303 1063003137 /nfs/dbraw/zinc/00/31/37/1063003137.db2.gz WQWZDPYHWVJKDX-SUMWQHHRSA-N 1 3 313.461 2.093 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC001480675585 1063172969 /nfs/dbraw/zinc/17/29/69/1063172969.db2.gz HSRZESNLARZKPS-AWEZNQCLSA-N 1 3 309.479 2.028 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CCF ZINC001480832628 1063421486 /nfs/dbraw/zinc/42/14/86/1063421486.db2.gz CXVWYCIZHNBEEP-CVEARBPZSA-N 1 3 313.461 2.191 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CCF ZINC001480832628 1063421497 /nfs/dbraw/zinc/42/14/97/1063421497.db2.gz CXVWYCIZHNBEEP-CVEARBPZSA-N 1 3 313.461 2.191 20 0 DEADHO CCC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)CC[C@@H]1C(F)(F)F ZINC001508085566 1063543616 /nfs/dbraw/zinc/54/36/16/1063543616.db2.gz MLZOTEQEAIEQHX-QWHCGFSZSA-N 1 3 323.403 2.107 20 0 DEADHO CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001568366314 1064809125 /nfs/dbraw/zinc/80/91/25/1064809125.db2.gz VWSJFBBHCBRKPF-RCELQXLSSA-N 1 3 304.438 2.135 20 0 DEADHO CC[C@@H](C)C[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001568393922 1064834183 /nfs/dbraw/zinc/83/41/83/1064834183.db2.gz VYHOLLXKHHPDKB-ZBFHGGJFSA-N 1 3 306.454 2.359 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1CC[NH2+]CCCF ZINC001568400429 1064839245 /nfs/dbraw/zinc/83/92/45/1064839245.db2.gz JRVZUGPLZWTKLV-OAHLLOKOSA-N 1 3 301.450 2.047 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001495582204 1064991391 /nfs/dbraw/zinc/99/13/91/1064991391.db2.gz XIOYTEVTKRSDJX-MRXNPFEDSA-N 1 3 304.438 2.113 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001568699692 1065059395 /nfs/dbraw/zinc/05/93/95/1065059395.db2.gz ULMBOZFKBSWVFU-NVXWUHKLSA-N 1 3 305.466 2.320 20 0 DEADHO CCN(CC[NH2+]Cc1ccccc1C)C(=O)CN(C)C(C)C ZINC001568800655 1065125450 /nfs/dbraw/zinc/12/54/50/1065125450.db2.gz NQAZHYLPWARMJG-UHFFFAOYSA-N 1 3 305.466 2.273 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC/C=C\C[NH2+]CC1CCCCC1 ZINC001568955183 1065212020 /nfs/dbraw/zinc/21/20/20/1065212020.db2.gz WRQLHMHUOPYOJM-WAYWQWQTSA-N 1 3 304.438 2.103 20 0 DEADHO Cc1cc(C[NH2+]C/C=C/CNC(=O)CN(C)C(C)C)c(C)s1 ZINC001568968912 1065220409 /nfs/dbraw/zinc/22/04/09/1065220409.db2.gz DMQUZUPEWHCIJV-VOTSOKGWSA-N 1 3 323.506 2.467 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CN2CC[C@@H](C)C2)cc1 ZINC001496156055 1065312494 /nfs/dbraw/zinc/31/24/94/1065312494.db2.gz WRAKUTOSSVGBPP-SJORKVTESA-N 1 3 317.477 2.273 20 0 DEADHO CC(C)(C(=O)N[C@@H](C[NH2+]C/C=C\Cl)C1CC1)N1CCCC1 ZINC001569314155 1065423624 /nfs/dbraw/zinc/42/36/24/1065423624.db2.gz ANULOWLCINQXGA-PODYEWJSSA-N 1 3 313.873 2.098 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]C/C=C/Cl ZINC001569565698 1065597759 /nfs/dbraw/zinc/59/77/59/1065597759.db2.gz CMFZOGUSBLUHIZ-OVPGCVMQSA-N 1 3 313.873 2.194 20 0 DEADHO CCCCC[NH+]1CCC(C)(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001569575541 1065603396 /nfs/dbraw/zinc/60/33/96/1065603396.db2.gz UYNLMBROCWEBFN-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]C/C=C/Cl)C1CCCC1)N(C)C ZINC001569611095 1065622394 /nfs/dbraw/zinc/62/23/94/1065622394.db2.gz QBANGNJWBJGCHD-IDZXHDBHSA-N 1 3 315.889 2.344 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1cccc(F)c1)N(C)C ZINC001497262621 1065996436 /nfs/dbraw/zinc/99/64/36/1065996436.db2.gz IXRNZZKECISNPL-RHSMWYFYSA-N 1 3 323.456 2.396 20 0 DEADHO CC(C)CSCCC[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001575617983 1066376866 /nfs/dbraw/zinc/37/68/66/1066376866.db2.gz WSKQYYIFVYUCOP-OAHLLOKOSA-N 1 3 311.499 2.153 20 0 DEADHO CC(C)CSCCC[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001575617983 1066376882 /nfs/dbraw/zinc/37/68/82/1066376882.db2.gz WSKQYYIFVYUCOP-OAHLLOKOSA-N 1 3 311.499 2.153 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(F)cc1C ZINC001497969649 1066437507 /nfs/dbraw/zinc/43/75/07/1066437507.db2.gz ZMYPNNSYMHFRBU-CQSZACIVSA-N 1 3 309.429 2.070 20 0 DEADHO C[C@@H](CN1CCC(CC[NH3+])CC1)c1ccc(S(C)(=O)=O)cc1 ZINC001576004893 1066474244 /nfs/dbraw/zinc/47/42/44/1066474244.db2.gz IJUCLFJTDDGINY-AWEZNQCLSA-N 1 3 324.490 2.254 20 0 DEADHO C[C@H](Cc1ccc(-c2ccccc2)cc1)NC[C@H]1C[NH2+]C[C@H]1O ZINC001576049682 1066483048 /nfs/dbraw/zinc/48/30/48/1066483048.db2.gz IULOVYPNYSKJRU-CDHQVMDDSA-N 1 3 310.441 2.455 20 0 DEADHO CC[C@H](F)CNC[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001498062227 1066484566 /nfs/dbraw/zinc/48/45/66/1066484566.db2.gz CSZHNDCVBIJFHK-KBPBESRZSA-N 1 3 315.477 2.482 20 0 DEADHO CC[C@H](F)CNC[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001498062227 1066484576 /nfs/dbraw/zinc/48/45/76/1066484576.db2.gz CSZHNDCVBIJFHK-KBPBESRZSA-N 1 3 315.477 2.482 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1cccc(C)c1 ZINC001498167994 1066538548 /nfs/dbraw/zinc/53/85/48/1066538548.db2.gz COBREYKKKIKPCN-HOTGVXAUSA-N 1 3 305.466 2.492 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC001576311520 1066557542 /nfs/dbraw/zinc/55/75/42/1066557542.db2.gz QZUQQHFICWVQIL-JOCBIADPSA-N 1 3 315.461 2.184 20 0 DEADHO C[C@@H]1C[C@@H](CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)CC[NH2+]1 ZINC001576599935 1066643577 /nfs/dbraw/zinc/64/35/77/1066643577.db2.gz YTLQOXDOXJIPSL-ILXRZTDVSA-N 1 3 311.470 2.316 20 0 DEADHO C[C@@H]1CN(C(=O)CCCCC2CC[NH2+]CC2)CCN(C2CC2)C1 ZINC001576771022 1066685841 /nfs/dbraw/zinc/68/58/41/1066685841.db2.gz ZQOPGWIZOOEFSI-INIZCTEOSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(CF)cc1 ZINC001498457716 1066719934 /nfs/dbraw/zinc/71/99/34/1066719934.db2.gz SPOZUVHLQALRSQ-HNNXBMFYSA-N 1 3 323.456 2.433 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(CF)cc1 ZINC001498457716 1066719948 /nfs/dbraw/zinc/71/99/48/1066719948.db2.gz SPOZUVHLQALRSQ-HNNXBMFYSA-N 1 3 323.456 2.433 20 0 DEADHO CC[C@H](C(=O)N(C)CCC[NH2+]Cc1cccc(C)c1)N(C)C ZINC001498641911 1066816571 /nfs/dbraw/zinc/81/65/71/1066816571.db2.gz QIAJXNKKSJOJAL-QGZVFWFLSA-N 1 3 305.466 2.273 20 0 DEADHO CC[NH2+][C@@H](C)C(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001577800752 1066929509 /nfs/dbraw/zinc/92/95/09/1066929509.db2.gz YHSVSFJBNXFPLO-DOTOQJQBSA-N 1 3 303.450 2.107 20 0 DEADHO CC[NH2+]CC1CCN(Cc2cc(OC)ccc2OCOC)CC1 ZINC001577837865 1066935120 /nfs/dbraw/zinc/93/51/20/1066935120.db2.gz WZIRKVGFRHWQOM-UHFFFAOYSA-N 1 3 322.449 2.499 20 0 DEADHO CN(C(=O)c1ccc2c(c1)CNC2)C(C)(C)C[NH+]1CCCC1 ZINC001578390783 1067080243 /nfs/dbraw/zinc/08/02/43/1067080243.db2.gz MCVQGDGCJQVZMY-UHFFFAOYSA-N 1 3 301.434 2.236 20 0 DEADHO C[NH2+]CC[C@H]1CCCCN1CCC(=O)N1CCc2ccccc21 ZINC001578676675 1067147890 /nfs/dbraw/zinc/14/78/90/1067147890.db2.gz KGXLIVVJAGOMFI-QGZVFWFLSA-N 1 3 315.461 2.430 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)cc1 ZINC001579194722 1067254319 /nfs/dbraw/zinc/25/43/19/1067254319.db2.gz PLKVPXNUCDFCFB-SPUZQDLCSA-N 1 3 318.461 2.219 20 0 DEADHO CSc1ccc([C@@H](CNC(=O)C[C@@H]([NH3+])C2CC2)N(C)C)cc1 ZINC001579387971 1067323072 /nfs/dbraw/zinc/32/30/72/1067323072.db2.gz QBPORBKBXXFMAY-HZPDHXFCSA-N 1 3 321.490 2.255 20 0 DEADHO C[C@H]1[NH2+]CCC[C@H]1N[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001579499431 1067354953 /nfs/dbraw/zinc/35/49/53/1067354953.db2.gz QAPMSQBXGJCNQE-APIJFGDWSA-N 1 3 311.470 2.410 20 0 DEADHO C[C@H](CN(C)Cc1cccc(Cl)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483417998 1078521886 /nfs/dbraw/zinc/52/18/86/1078521886.db2.gz RHPCIFUWSHMZDF-UKRRQHHQSA-N 1 3 323.868 2.228 20 0 DEADHO C[C@H](CN(C)Cc1cccc(Cl)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001483417998 1078521892 /nfs/dbraw/zinc/52/18/92/1078521892.db2.gz RHPCIFUWSHMZDF-UKRRQHHQSA-N 1 3 323.868 2.228 20 0 DEADHO Cc1cccc(CN2CC[C@@H](NC(=O)CCC(C)(C)[NH3+])C2)c1 ZINC001579760986 1067418632 /nfs/dbraw/zinc/41/86/32/1067418632.db2.gz RRZQARPOVRJPAE-MRXNPFEDSA-N 1 3 303.450 2.203 20 0 DEADHO Cc1ccccc1[C@@H]([NH3+])C(=O)NCCCCc1ccnc(N)c1 ZINC001579793998 1067423796 /nfs/dbraw/zinc/42/37/96/1067423796.db2.gz RMEXSTVZLFBWEW-QGZVFWFLSA-N 1 3 312.417 2.111 20 0 DEADHO Cn1nc2c(c1CN1CCC3(CCC[C@H]3C[NH3+])CC1)CCC2 ZINC001579998325 1067469562 /nfs/dbraw/zinc/46/95/62/1067469562.db2.gz KZBZFOLWPWMGNV-AWEZNQCLSA-N 1 3 302.466 2.250 20 0 DEADHO Fc1ccc(OC(F)F)c(CNC[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC001580030477 1067476104 /nfs/dbraw/zinc/47/61/04/1067476104.db2.gz NZCIXSFGMWCUQX-LBPRGKRZSA-N 1 3 316.323 2.038 20 0 DEADHO CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001267057178 1078533441 /nfs/dbraw/zinc/53/34/41/1078533441.db2.gz CFWAKRGPNVWPTP-UIZHIOIMSA-N 1 3 307.482 2.123 20 0 DEADHO CC(C)N1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC001650359988 1079560419 /nfs/dbraw/zinc/56/04/19/1079560419.db2.gz HEMLKPNKYSRQLC-BBWFWOEESA-N 1 3 307.482 2.240 20 0 DEADHO NC1(C[NH2+]Cc2cccc(I)c2)CCC1 ZINC001580152317 1067510774 /nfs/dbraw/zinc/51/07/74/1067510774.db2.gz GNIYNGNVBOSXFN-UHFFFAOYSA-N 1 3 316.186 2.262 20 0 DEADHO NCC1(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)CC1 ZINC001580244098 1067537097 /nfs/dbraw/zinc/53/70/97/1067537097.db2.gz PFAKBWFGFJIDOT-HNNXBMFYSA-N 1 3 311.433 2.390 20 0 DEADHO NCC1(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)CC1 ZINC001580244098 1067537102 /nfs/dbraw/zinc/53/71/02/1067537102.db2.gz PFAKBWFGFJIDOT-HNNXBMFYSA-N 1 3 311.433 2.390 20 0 DEADHO CCCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001267071229 1078546118 /nfs/dbraw/zinc/54/61/18/1078546118.db2.gz SWTQLDLOYIPXKV-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO C[NH+](C)CCC(=O)N[C@@H](CNCc1ccccc1Cl)C1CC1 ZINC001483586608 1078613911 /nfs/dbraw/zinc/61/39/11/1078613911.db2.gz SNJGYLSYWGEFJJ-INIZCTEOSA-N 1 3 323.868 2.276 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CCCF ZINC001267148174 1078613266 /nfs/dbraw/zinc/61/32/66/1078613266.db2.gz HXFHQYBJCMAKPD-HUUCEWRRSA-N 1 3 301.450 2.093 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N(C)CC(C)(C)C[NH2+]CCCF ZINC001570690895 1068068934 /nfs/dbraw/zinc/06/89/34/1068068934.db2.gz HBIBBWQRZJSGTB-GJZGRUSLSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001571367200 1068251404 /nfs/dbraw/zinc/25/14/04/1068251404.db2.gz DIBBHUHASMCBDR-WBVHZDCISA-N 1 3 307.482 2.121 20 0 DEADHO CN(CC(=O)N[C@@H]1CC[C@@H](C[NH2+]C/C=C\Cl)C1)C1CCC1 ZINC001571535757 1068404018 /nfs/dbraw/zinc/40/40/18/1068404018.db2.gz GMAXOYHEKADPPP-GIMLMWNRSA-N 1 3 313.873 2.098 20 0 DEADHO CCC[C@H](C)CN1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001272429775 1078870311 /nfs/dbraw/zinc/87/03/11/1078870311.db2.gz FZGIAUOAKFQCJO-WMZOPIPTSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC001480951746 1078902367 /nfs/dbraw/zinc/90/23/67/1078902367.db2.gz LXYXVRWVGSTETK-GOSISDBHSA-N 1 3 317.477 2.452 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC001480951746 1078902379 /nfs/dbraw/zinc/90/23/79/1078902379.db2.gz LXYXVRWVGSTETK-GOSISDBHSA-N 1 3 317.477 2.452 20 0 DEADHO N[C@H](C(=O)N1C[C@H](CC[NH3+])c2ccccc21)C1CCCCC1 ZINC001548578788 1072694691 /nfs/dbraw/zinc/69/46/91/1072694691.db2.gz MFBVHBGCEZDGRW-YOEHRIQHSA-N 1 3 301.434 2.373 20 0 DEADHO [NH3+]C[C@]12CCC[C@@H]1CN(CCc1nc(-c3ccccc3)no1)C2 ZINC001549115449 1073028231 /nfs/dbraw/zinc/02/82/31/1073028231.db2.gz GIXPZZWQVAPBNS-QAPCUYQASA-N 1 3 312.417 2.340 20 0 DEADHO C[C@@H]1C[C@H](N[C@@H]2CCCC[C@@H]2NC(=O)c2ccccc2)CC[NH2+]1 ZINC001549337699 1073129349 /nfs/dbraw/zinc/12/93/49/1073129349.db2.gz IQCULGPCSIQRML-DDBAPUKQSA-N 1 3 315.461 2.458 20 0 DEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2NC(=O)c2ccccc2)CCN1 ZINC001549337699 1073129352 /nfs/dbraw/zinc/12/93/52/1073129352.db2.gz IQCULGPCSIQRML-DDBAPUKQSA-N 1 3 315.461 2.458 20 0 DEADHO CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)CC1CCCCC1 ZINC001481001406 1079046174 /nfs/dbraw/zinc/04/61/74/1079046174.db2.gz QODYZWYMLPRWCP-MRXNPFEDSA-N 1 3 309.498 2.347 20 0 DEADHO CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)CC1CCCCC1 ZINC001481001406 1079046181 /nfs/dbraw/zinc/04/61/81/1079046181.db2.gz QODYZWYMLPRWCP-MRXNPFEDSA-N 1 3 309.498 2.347 20 0 DEADHO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCCN(C)C2)[C@H](n2cncn2)C1 ZINC001549547494 1073188327 /nfs/dbraw/zinc/18/83/27/1073188327.db2.gz VPAZKGDKQJJFLM-WCXIOVBPSA-N 1 3 305.470 2.329 20 0 DEADHO CN(C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1)[C@@H]1CCN(C)C1 ZINC001550049047 1073395146 /nfs/dbraw/zinc/39/51/46/1073395146.db2.gz POTXMYLAKRPCDZ-DLBZAZTESA-N 1 3 322.497 2.129 20 0 DEADHO CN(C(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1)[C@@H]1CCN(C)C1 ZINC001550049047 1073395154 /nfs/dbraw/zinc/39/51/54/1073395154.db2.gz POTXMYLAKRPCDZ-DLBZAZTESA-N 1 3 322.497 2.129 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]([NH3+])C(C)(C)C)C2)cc1 ZINC001550101557 1073427051 /nfs/dbraw/zinc/42/70/51/1073427051.db2.gz ZCADOMPRZBLDLE-HOTGVXAUSA-N 1 3 303.450 2.059 20 0 DEADHO CCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001649434772 1079117665 /nfs/dbraw/zinc/11/76/65/1079117665.db2.gz JEHAHHQDTYAIBA-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1(NCc2ccsc2)CC1 ZINC001483793661 1079124606 /nfs/dbraw/zinc/12/46/06/1079124606.db2.gz KQRJOOAFZAESQH-KBPBESRZSA-N 1 3 321.490 2.359 20 0 DEADHO CCC1(N2CCC2)CC[NH+](C[C@@H]2CCCCN(C)C2=O)CC1 ZINC001550312310 1073582290 /nfs/dbraw/zinc/58/22/90/1073582290.db2.gz LIJFZQIAQIKBAI-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO CCC1([NH+]2CCC2)CCN(C[C@@H]2CCCCN(C)C2=O)CC1 ZINC001550312310 1073582301 /nfs/dbraw/zinc/58/23/01/1073582301.db2.gz LIJFZQIAQIKBAI-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[NH+]1CCC(N[C@@H]2CCC[C@H]2Oc2cnn(C)c2)CC1 ZINC001550665907 1073784092 /nfs/dbraw/zinc/78/40/92/1073784092.db2.gz GLJHVKMBQKXEDZ-IAGOWNOFSA-N 1 3 306.454 2.184 20 0 DEADHO CC(C)[NH+]1CCC(N[C@H]2CCC[C@H]2Oc2cnn(C)c2)CC1 ZINC001550672219 1073790772 /nfs/dbraw/zinc/79/07/72/1073790772.db2.gz VYALPIBMWFCYGO-DLBZAZTESA-N 1 3 306.454 2.182 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CCCCCF)CCN1C(=O)Cc1c[nH]cn1 ZINC001671245075 1079179499 /nfs/dbraw/zinc/17/94/99/1079179499.db2.gz MBROHLIGZFOOBC-KBPBESRZSA-N 1 3 310.417 2.061 20 0 DEADHO CN(C)C(=O)OCC[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001649750956 1079192408 /nfs/dbraw/zinc/19/24/08/1079192408.db2.gz XDQZGPUGOXSWEL-KRWDZBQOSA-N 1 3 319.449 2.139 20 0 DEADHO CN(C)C(=O)OCC[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001649750956 1079192413 /nfs/dbraw/zinc/19/24/13/1079192413.db2.gz XDQZGPUGOXSWEL-KRWDZBQOSA-N 1 3 319.449 2.139 20 0 DEADHO CCCCC[NH2+]C[C@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001483951105 1079206744 /nfs/dbraw/zinc/20/67/44/1079206744.db2.gz YRSLLWUPCDXCFZ-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO COc1cncc(C[NH2+]C2CCC(C)(N3CCOCC3)CC2)c1 ZINC001551238392 1074127246 /nfs/dbraw/zinc/12/72/46/1074127246.db2.gz LIVBMPIEULQZDH-UHFFFAOYSA-N 1 3 319.449 2.213 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001481120941 1079216944 /nfs/dbraw/zinc/21/69/44/1079216944.db2.gz PHYFGWYRHVXFHD-HNNXBMFYSA-N 1 3 306.454 2.135 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CC[N@H+](CCCC(C)C)C1 ZINC001481120941 1079216954 /nfs/dbraw/zinc/21/69/54/1079216954.db2.gz PHYFGWYRHVXFHD-HNNXBMFYSA-N 1 3 306.454 2.135 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCN3C3CCCC3)C[C@@H]2C1 ZINC001551322123 1074167479 /nfs/dbraw/zinc/16/74/79/1074167479.db2.gz MEMZPDGBGCWJEB-ATLSCFEFSA-N 1 3 319.493 2.192 20 0 DEADHO C[C@H]1COC[C@H](C)C1[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001551403189 1074207329 /nfs/dbraw/zinc/20/73/29/1074207329.db2.gz XEMRXOCQEBWAGN-WMTDPASSSA-N 1 3 310.482 2.281 20 0 DEADHO C[NH+](C)[C@@H]1C[C@H](NC[C@@H](O)CC[C@H](O)c2ccccc2)C1(C)C ZINC001646531858 1074473153 /nfs/dbraw/zinc/47/31/53/1074473153.db2.gz AMBLIHAMFVQAAG-XLAORIBOSA-N 1 3 320.477 2.179 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCCC[NH2+]C1 ZINC001552399427 1074567102 /nfs/dbraw/zinc/56/71/02/1074567102.db2.gz XOLGFOXVQXXDOX-NJAFHUGGSA-N 1 3 315.461 2.013 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CCCC[NH2+]C2)N(C)C)cc1 ZINC001552420912 1074572868 /nfs/dbraw/zinc/57/28/68/1074572868.db2.gz WQUYTBOPXLGTHQ-IAGOWNOFSA-N 1 3 303.450 2.104 20 0 DEADHO CN(C)[C@@H]1CCC[N@H+](C[C@H]2CCCO[C@@H]2c2cnn(C)c2)CC1 ZINC001552530369 1074600091 /nfs/dbraw/zinc/60/00/91/1074600091.db2.gz JJMOEBAWERUJRJ-NXHRZFHOSA-N 1 3 320.481 2.304 20 0 DEADHO CN(C)[C@@H]1CCC[N@@H+](C[C@H]2CCCO[C@@H]2c2cnn(C)c2)CC1 ZINC001552530369 1074600098 /nfs/dbraw/zinc/60/00/98/1074600098.db2.gz JJMOEBAWERUJRJ-NXHRZFHOSA-N 1 3 320.481 2.304 20 0 DEADHO CCn1ccnc1[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC001552854615 1074680101 /nfs/dbraw/zinc/68/01/01/1074680101.db2.gz OVRBQZTZARBXRH-IXDOHACOSA-N 1 3 320.481 2.397 20 0 DEADHO CCn1ccnc1[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC001552854615 1074680104 /nfs/dbraw/zinc/68/01/04/1074680104.db2.gz OVRBQZTZARBXRH-IXDOHACOSA-N 1 3 320.481 2.397 20 0 DEADHO CCn1ccnc1[C@@H]1OCC[C@@H]1CN1CCC[C@H]([NH+](C)C)CC1 ZINC001552854615 1074680107 /nfs/dbraw/zinc/68/01/07/1074680107.db2.gz OVRBQZTZARBXRH-IXDOHACOSA-N 1 3 320.481 2.397 20 0 DEADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cccc2c1CNC2 ZINC001552924550 1074697207 /nfs/dbraw/zinc/69/72/07/1074697207.db2.gz DKYXFVHVYIDELX-CQSZACIVSA-N 1 3 322.412 2.036 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC001646958837 1074728542 /nfs/dbraw/zinc/72/85/42/1074728542.db2.gz UNJDYAMPHKPXLE-KRWDZBQOSA-N 1 3 322.497 2.131 20 0 DEADHO CCc1ccc([C@H](CNC(=O)C[NH2+]C(C)(C)C)N(C)C)cc1 ZINC001647076927 1074782709 /nfs/dbraw/zinc/78/27/09/1074782709.db2.gz NDVDACQNKGXFRB-INIZCTEOSA-N 1 3 305.466 2.356 20 0 DEADHO CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC(=O)[C@@H](N)CC1CCCCC1 ZINC001649980177 1079335673 /nfs/dbraw/zinc/33/56/73/1079335673.db2.gz XHSOSMXPHWCVEW-JONQDZQNSA-N 1 3 307.482 2.177 20 0 DEADHO c1ccc2c(c1)CC(N1CCN(C[C@H]3CCCC[NH2+]C3)CC1)C2 ZINC001553301325 1074833253 /nfs/dbraw/zinc/83/32/53/1074833253.db2.gz YZLSZWORWYJDPU-KRWDZBQOSA-N 1 3 313.489 2.161 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001553485888 1074891316 /nfs/dbraw/zinc/89/13/16/1074891316.db2.gz BVSHQUNWSANUOI-YJBOKZPZSA-N 1 3 322.497 2.034 20 0 DEADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(-n3cncn3)c(F)c2)C1 ZINC000063917550 1075006979 /nfs/dbraw/zinc/00/69/79/1075006979.db2.gz DFPGUGDVHRRAGX-OAHLLOKOSA-N 1 3 317.412 2.228 20 0 DEADHO CCOCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)cc1 ZINC001560623302 1075143914 /nfs/dbraw/zinc/14/39/14/1075143914.db2.gz TYYHUYPTKOWCBN-BPQIPLTHSA-N 1 3 304.434 2.489 20 0 DEADHO CC1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]CCCF)CC1 ZINC001566949976 1075396956 /nfs/dbraw/zinc/39/69/56/1075396956.db2.gz HKCAVBJQCCFGST-MRXNPFEDSA-N 1 3 313.461 2.049 20 0 DEADHO C[N@H+](C[C@@H](O)CNCC1(c2ccccc2F)CCC1)C1CC1 ZINC001650156400 1079425628 /nfs/dbraw/zinc/42/56/28/1079425628.db2.gz BLXWITQDKMYJPE-HNNXBMFYSA-N 1 3 306.425 2.292 20 0 DEADHO C[N@@H+](C[C@@H](O)CNCC1(c2ccccc2F)CCC1)C1CC1 ZINC001650156400 1079425631 /nfs/dbraw/zinc/42/56/31/1079425631.db2.gz BLXWITQDKMYJPE-HNNXBMFYSA-N 1 3 306.425 2.292 20 0 DEADHO Cc1cc(C[NH2+]C2CCC([NH+](C)C)CC2)ccc1-c1nnn[n-]1 ZINC001591966668 1076818959 /nfs/dbraw/zinc/81/89/59/1076818959.db2.gz BKEJFYFFUWXOFE-UHFFFAOYSA-N 1 3 314.437 2.138 20 0 DEADHO Cc1cc(C[NH2+]C2CCC([NH+](C)C)CC2)ccc1-c1nn[n-]n1 ZINC001591966668 1076818963 /nfs/dbraw/zinc/81/89/63/1076818963.db2.gz BKEJFYFFUWXOFE-UHFFFAOYSA-N 1 3 314.437 2.138 20 0 DEADHO C[NH+](C)CCC1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001609267697 1077821968 /nfs/dbraw/zinc/82/19/68/1077821968.db2.gz FVXDSOQMMNOGAI-UHFFFAOYSA-N 1 3 314.437 2.030 20 0 DEADHO C[NH+](C)CCC1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001609267697 1077821971 /nfs/dbraw/zinc/82/19/71/1077821971.db2.gz FVXDSOQMMNOGAI-UHFFFAOYSA-N 1 3 314.437 2.030 20 0 DEADHO C[C@H](F)CC[N@@H+]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001484716257 1079740467 /nfs/dbraw/zinc/74/04/67/1079740467.db2.gz GZOZPWXVPJXYQN-GJZGRUSLSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H](F)CC[N@H+]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001484716257 1079740472 /nfs/dbraw/zinc/74/04/72/1079740472.db2.gz GZOZPWXVPJXYQN-GJZGRUSLSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)=CCN[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001481372011 1079764147 /nfs/dbraw/zinc/76/41/47/1079764147.db2.gz IVCZESKMEVTZOB-QZTJIDSGSA-N 1 3 315.461 2.351 20 0 DEADHO CC(C)=CCN[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001481372011 1079764157 /nfs/dbraw/zinc/76/41/57/1079764157.db2.gz IVCZESKMEVTZOB-QZTJIDSGSA-N 1 3 315.461 2.351 20 0 DEADHO CC[C@H](C(=O)N1CCC(C)([NH2+]CCCCCF)CC1)N(C)C ZINC001484926401 1079858050 /nfs/dbraw/zinc/85/80/50/1079858050.db2.gz AVQJEDHPTYPPGW-OAHLLOKOSA-N 1 3 315.477 2.437 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCC2CC2)CC1(C)C)N(C)C ZINC001484940017 1079874868 /nfs/dbraw/zinc/87/48/68/1079874868.db2.gz IONLSVKNERKTEH-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CCC2CC2)CC1(C)C)N(C)C ZINC001484940017 1079874872 /nfs/dbraw/zinc/87/48/72/1079874872.db2.gz IONLSVKNERKTEH-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)NCc1sccc1Cl ZINC001485190977 1080055569 /nfs/dbraw/zinc/05/55/69/1080055569.db2.gz RTZWZAGPFHBIBD-WDEREUQCSA-N 1 3 317.886 2.336 20 0 DEADHO CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+]C/C=C\Cl)N(C)C ZINC001485253214 1080088033 /nfs/dbraw/zinc/08/80/33/1080088033.db2.gz DFRGNYKXONLRPR-LJTDUEICSA-N 1 3 303.878 2.153 20 0 DEADHO CCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001268171222 1080159879 /nfs/dbraw/zinc/15/98/79/1080159879.db2.gz LRWHFCFACVGRJB-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000073033921 1080170559 /nfs/dbraw/zinc/17/05/59/1080170559.db2.gz YDZZMXVGJMHZFI-DOTOQJQBSA-N 1 3 303.450 2.280 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000073033921 1080170562 /nfs/dbraw/zinc/17/05/62/1080170562.db2.gz YDZZMXVGJMHZFI-DOTOQJQBSA-N 1 3 303.450 2.280 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC1C[NH+](CCCC(C)C)C1 ZINC001481669454 1080277177 /nfs/dbraw/zinc/27/71/77/1080277177.db2.gz MXVZBONEHZXBGU-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](CC[NH2+]Cc1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001268369100 1080381129 /nfs/dbraw/zinc/38/11/29/1080381129.db2.gz QYMKCRQHXYTGSQ-HNNXBMFYSA-N 1 3 303.450 2.155 20 0 DEADHO CCN(CC[NH2+]C/C=C/c1ccccc1)C(=O)[C@H]1CCCN1C ZINC001268438496 1080466580 /nfs/dbraw/zinc/46/65/80/1080466580.db2.gz JCBPRTFJHADRAN-JGZYNSJSSA-N 1 3 315.461 2.232 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C1)N(C)C ZINC001661678638 1080505459 /nfs/dbraw/zinc/50/54/59/1080505459.db2.gz PKWINFCYCOCLLJ-IXDOHACOSA-N 1 3 309.498 2.390 20 0 DEADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccccc1 ZINC001481820033 1080527429 /nfs/dbraw/zinc/52/74/29/1080527429.db2.gz ISEKSENWQJAIHS-MRXNPFEDSA-N 1 3 303.450 2.155 20 0 DEADHO CCC[NH2+][C@H](CC)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001481849137 1080548561 /nfs/dbraw/zinc/54/85/61/1080548561.db2.gz APDYERIFGHEPRP-CJNGLKHVSA-N 1 3 301.450 2.093 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC001649038371 1080631837 /nfs/dbraw/zinc/63/18/37/1080631837.db2.gz LWOKIJVKNZGELG-HNNXBMFYSA-N 1 3 317.433 2.229 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC001649038371 1080631840 /nfs/dbraw/zinc/63/18/40/1080631840.db2.gz LWOKIJVKNZGELG-HNNXBMFYSA-N 1 3 317.433 2.229 20 0 DEADHO CN(C)C1(C(=O)NCCC[C@@H]2CCC[N@@H+]2CCCF)CCC1 ZINC001663072203 1080697173 /nfs/dbraw/zinc/69/71/73/1080697173.db2.gz OCWRNULJZSUVHJ-OAHLLOKOSA-N 1 3 313.461 2.191 20 0 DEADHO CN(C)C1(C(=O)NCCC[C@@H]2CCC[N@H+]2CCCF)CCC1 ZINC001663072203 1080697174 /nfs/dbraw/zinc/69/71/74/1080697174.db2.gz OCWRNULJZSUVHJ-OAHLLOKOSA-N 1 3 313.461 2.191 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001482063564 1080769156 /nfs/dbraw/zinc/76/91/56/1080769156.db2.gz GUAZRIWJRVFPSA-QGZVFWFLSA-N 1 3 316.449 2.423 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)CC[NH2+]CCC2=CCCCC2)C1 ZINC001664186069 1080873459 /nfs/dbraw/zinc/87/34/59/1080873459.db2.gz JLZNQOWKSJXCFZ-MRXNPFEDSA-N 1 3 307.482 2.267 20 0 DEADHO C[C@H](C[NH2+]C/C=C\Cl)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001268661666 1080921943 /nfs/dbraw/zinc/92/19/43/1080921943.db2.gz DSTLZWGZMXCKEW-SQWULWQPSA-N 1 3 319.852 2.046 20 0 DEADHO C[NH+](C)CCC(=O)NCc1ccc(CNC/C=C/Cl)cc1 ZINC001666341289 1081146014 /nfs/dbraw/zinc/14/60/14/1081146014.db2.gz RSYYYXGUIZEDDL-YCRREMRBSA-N 1 3 309.841 2.097 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001668279093 1081335851 /nfs/dbraw/zinc/33/58/51/1081335851.db2.gz PIZUTAUJSWMIEF-PBHICJAKSA-N 1 3 323.456 2.459 20 0 DEADHO CC[C@H](F)CNCCN(CC)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001668575734 1081370118 /nfs/dbraw/zinc/37/01/18/1081370118.db2.gz VPNKUUPWWWUPFT-HOTGVXAUSA-N 1 3 315.477 2.437 20 0 DEADHO CC[C@@H](C(=O)N1CCC(CC[NH2+]CCC2CC2)CC1)N(C)C ZINC001269934961 1081403649 /nfs/dbraw/zinc/40/36/49/1081403649.db2.gz GTATWCKOZQXADQ-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)=CC[NH2+]C[C@]1(C)CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001671785416 1081538934 /nfs/dbraw/zinc/53/89/34/1081538934.db2.gz SMIFETHACMAQAB-WMZOPIPTSA-N 1 3 307.482 2.123 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](CC[NH2+]Cc2ccsc2)C1 ZINC001280273975 1081606375 /nfs/dbraw/zinc/60/63/75/1081606375.db2.gz KUEUIQKCXBGGKS-HNNXBMFYSA-N 1 3 323.506 2.418 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCCCCF)C1 ZINC001672761496 1081623662 /nfs/dbraw/zinc/62/36/62/1081623662.db2.gz KMLAACQNGXPAST-CVEARBPZSA-N 1 3 313.461 2.049 20 0 DEADHO Cc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)CN(C)C(C)C)c1 ZINC001482369754 1081767882 /nfs/dbraw/zinc/76/78/82/1081767882.db2.gz OVNRKGHSZOPYEM-INIZCTEOSA-N 1 3 305.466 2.272 20 0 DEADHO CC(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001482446927 1081855596 /nfs/dbraw/zinc/85/55/96/1081855596.db2.gz YHMFMMCGOWPCBZ-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[C@H](CC)CN1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001271222649 1081993811 /nfs/dbraw/zinc/99/38/11/1081993811.db2.gz CIDIDKYKYLSIMY-XWTMOSNGSA-N 1 3 321.509 2.440 20 0 DEADHO CCCC[C@H](CC)CN1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001271222649 1081993815 /nfs/dbraw/zinc/99/38/15/1081993815.db2.gz CIDIDKYKYLSIMY-XWTMOSNGSA-N 1 3 321.509 2.440 20 0 DEADHO CN(CC(=O)NC[C@@H]([NH2+]CC1=CCCCC1)C1CC1)C1CCC1 ZINC001266412455 1082027557 /nfs/dbraw/zinc/02/75/57/1082027557.db2.gz UBVMQHYWECSCQG-GOSISDBHSA-N 1 3 319.493 2.456 20 0 DEADHO CC(C)[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccccc1 ZINC001482532584 1082167969 /nfs/dbraw/zinc/16/79/69/1082167969.db2.gz GWJIPLBCCAJTQO-KRWDZBQOSA-N 1 3 317.477 2.401 20 0 DEADHO [NH3+]CCCN(CC1CCCC1)C(=O)c1cc2c(s1)CNCC2 ZINC001648984370 1082396157 /nfs/dbraw/zinc/39/61/57/1082396157.db2.gz BVMWPCZEJQSZIK-UHFFFAOYSA-N 1 3 321.490 2.375 20 0 DEADHO C[C@@H](F)CC[NH2+]C[C@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001266870920 1082418070 /nfs/dbraw/zinc/41/80/70/1082418070.db2.gz QJYQHUDFCAPFSN-HUUCEWRRSA-N 1 3 313.461 2.190 20 0 DEADHO Cc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCCN2C)cc1C ZINC001482991237 1082611294 /nfs/dbraw/zinc/61/12/94/1082611294.db2.gz OBLHZMNRYKNZTM-WRFKIARRSA-N 1 3 315.461 2.160 20 0 DEADHO C[C@H]([NH2+]C/C=C/CNC(=O)[C@H]1CCCN1C)c1ccc(F)cc1 ZINC001483044299 1082647718 /nfs/dbraw/zinc/64/77/18/1082647718.db2.gz OMSCXIBLHBCHOJ-LQMLLCQLSA-N 1 3 319.424 2.243 20 0 DEADHO CC[C@H](C(=O)NC/C=C\C[NH2+][C@@H](C)c1cccc(F)c1)N(C)C ZINC001483084007 1082696807 /nfs/dbraw/zinc/69/68/07/1082696807.db2.gz UQPLPRQLDSRVLM-GRQQHNRBSA-N 1 3 321.440 2.489 20 0 DEADHO CC[C@H](C)C[NH2+]CC1CC(NC(=O)CN(C)CC(C)(C)C)C1 ZINC001409295897 1082747906 /nfs/dbraw/zinc/74/79/06/1082747906.db2.gz IPZABXLJWCZNMX-FHERZECASA-N 1 3 311.514 2.495 20 0 DEADHO Cc1cc(C[NH2+]C[C@@H](C)NC(=O)CN2CC[C@H](C)C2)c(C)s1 ZINC001483166338 1082784847 /nfs/dbraw/zinc/78/48/47/1082784847.db2.gz FIDZMXNWNZZYEN-QWHCGFSZSA-N 1 3 323.506 2.301 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(Cl)cc1 ZINC001483198233 1082803560 /nfs/dbraw/zinc/80/35/60/1082803560.db2.gz ZKSLMLSBWONIQA-CYBMUJFWSA-N 1 3 311.857 2.275 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001409359073 1082843932 /nfs/dbraw/zinc/84/39/32/1082843932.db2.gz JTDRDSOKYZUENQ-KBPBESRZSA-N 1 3 309.498 2.390 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001409469735 1082907159 /nfs/dbraw/zinc/90/71/59/1082907159.db2.gz MEWKTIPGQBLWGR-GJZGRUSLSA-N 1 3 309.498 2.390 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(CF)cc1)N(C)C ZINC001409567219 1082957827 /nfs/dbraw/zinc/95/78/27/1082957827.db2.gz BVBVGGFBAVUXHA-WMLDXEAASA-N 1 3 323.456 2.433 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(CF)cc1)N(C)C ZINC001409567219 1082957830 /nfs/dbraw/zinc/95/78/30/1082957830.db2.gz BVBVGGFBAVUXHA-WMLDXEAASA-N 1 3 323.456 2.433 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[N@H+](C)CCc1cccs1 ZINC001409612501 1082983243 /nfs/dbraw/zinc/98/32/43/1082983243.db2.gz CIAPKCJDBGFIMJ-GJZGRUSLSA-N 1 3 323.506 2.069 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[N@@H+](C)CCc1cccs1 ZINC001409612501 1082983246 /nfs/dbraw/zinc/98/32/46/1082983246.db2.gz CIAPKCJDBGFIMJ-GJZGRUSLSA-N 1 3 323.506 2.069 20 0 DEADHO CC(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001409617978 1082988785 /nfs/dbraw/zinc/98/87/85/1082988785.db2.gz NOAHQLNSXSKUTP-YOEHRIQHSA-N 1 3 315.477 2.291 20 0 DEADHO CC(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001409617978 1082988788 /nfs/dbraw/zinc/98/87/88/1082988788.db2.gz NOAHQLNSXSKUTP-YOEHRIQHSA-N 1 3 315.477 2.291 20 0 DEADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)[N@H+](C)CC1CC1 ZINC001409700320 1083023913 /nfs/dbraw/zinc/02/39/13/1083023913.db2.gz XYBLEHUFRSLZFL-CQSZACIVSA-N 1 3 303.450 2.208 20 0 DEADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)[N@@H+](C)CC1CC1 ZINC001409700320 1083023918 /nfs/dbraw/zinc/02/39/18/1083023918.db2.gz XYBLEHUFRSLZFL-CQSZACIVSA-N 1 3 303.450 2.208 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]C/C=C\c1ccccc1)N(C)C ZINC001483263210 1083062801 /nfs/dbraw/zinc/06/28/01/1083062801.db2.gz RWYSXYLAEGUQKG-VGKLODKDSA-N 1 3 317.477 2.380 20 0 DEADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCF)CC2)N(C)C ZINC001107450089 1083403020 /nfs/dbraw/zinc/40/30/20/1083403020.db2.gz BQIQGFVIQOSKCG-BFYDXBDKSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCF)CC2)N(C)C ZINC001107450089 1083403023 /nfs/dbraw/zinc/40/30/23/1083403023.db2.gz BQIQGFVIQOSKCG-BFYDXBDKSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C1C[NH+](CC2=CCCCC2)C1)N(C)C ZINC001276454608 1083445112 /nfs/dbraw/zinc/44/51/12/1083445112.db2.gz XCEMVQXAAZSMOP-RHSMWYFYSA-N 1 3 307.482 2.264 20 0 DEADHO CS[C@@H](C)CC[NH+]1CCC2(CN(CCn3ccnc3)C2)CC1 ZINC001276469260 1083456284 /nfs/dbraw/zinc/45/62/84/1083456284.db2.gz AZPHRXPEVOMVLK-INIZCTEOSA-N 1 3 322.522 2.423 20 0 DEADHO CC[NH+]1CCC(CN2CCc3ccnc(N(C)C)c3C2)CC1 ZINC001413264219 1083469894 /nfs/dbraw/zinc/46/98/94/1083469894.db2.gz YBMSCHCDRLPHGA-UHFFFAOYSA-N 1 3 302.466 2.238 20 0 DEADHO CN1CCC2(C[NH+](C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001276638357 1083528773 /nfs/dbraw/zinc/52/87/73/1083528773.db2.gz VLUUVRNKCPCAPD-HNNXBMFYSA-N 1 3 323.481 2.271 20 0 DEADHO Cc1ccc(CN2CCCC3(CN(CC[NH+](C)C)C3)C2)cc1O ZINC001276879377 1083659766 /nfs/dbraw/zinc/65/97/66/1083659766.db2.gz AFSLZWODDZDEAK-UHFFFAOYSA-N 1 3 317.477 2.160 20 0 DEADHO CCN(CC)CC[C@@H](C)[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC001462670280 1083795735 /nfs/dbraw/zinc/79/57/35/1083795735.db2.gz AOIAXMFMIJNEAG-QQFBHYJXSA-N 1 3 318.527 2.300 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@H+](CC3CC3)CC[C@H]21 ZINC001490984217 1083988821 /nfs/dbraw/zinc/98/88/21/1083988821.db2.gz RKGHMBPARMPGFQ-IAGOWNOFSA-N 1 3 307.482 2.051 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@@H+](CC3CC3)CC[C@H]21 ZINC001490984217 1083988838 /nfs/dbraw/zinc/98/88/38/1083988838.db2.gz RKGHMBPARMPGFQ-IAGOWNOFSA-N 1 3 307.482 2.051 20 0 DEADHO c1c[nH]c(CN2C[C@H]3C[C@@H](C2)[N@H+](Cc2cccc4cncn42)C3)c1 ZINC001277560425 1084035308 /nfs/dbraw/zinc/03/53/08/1084035308.db2.gz YPJSUNNPWSOXMK-BEFAXECRSA-N 1 3 321.428 2.369 20 0 DEADHO c1c[nH]c(CN2C[C@H]3C[C@@H](C2)[N@@H+](Cc2cccc4cncn42)C3)c1 ZINC001277560425 1084035319 /nfs/dbraw/zinc/03/53/19/1084035319.db2.gz YPJSUNNPWSOXMK-BEFAXECRSA-N 1 3 321.428 2.369 20 0 DEADHO CCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCN1C(C)C ZINC001277647586 1084075368 /nfs/dbraw/zinc/07/53/68/1084075368.db2.gz SWZRWRXFKSJXER-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)[C@@H](C[NH2+]C/C=C/Cl)C1CC1)N(C)C ZINC001277662799 1084081871 /nfs/dbraw/zinc/08/18/71/1084081871.db2.gz OICVIHNZSWVJLL-AOEIMKSNSA-N 1 3 315.889 2.152 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)[C@H](C[NH2+]C/C=C\Cl)C1CC1)N(C)C ZINC001277662800 1084082737 /nfs/dbraw/zinc/08/27/37/1084082737.db2.gz OICVIHNZSWVJLL-IIQYJXCPSA-N 1 3 315.889 2.152 20 0 DEADHO CC(C)=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001491161117 1084120495 /nfs/dbraw/zinc/12/04/95/1084120495.db2.gz SJZQCVKIFZUMIB-IRXDYDNUSA-N 1 3 309.498 2.367 20 0 DEADHO Nc1cccnc1CN1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC001235086988 1084303960 /nfs/dbraw/zinc/30/39/60/1084303960.db2.gz SWEHEQYKXQFMLV-UHFFFAOYSA-N 1 3 308.429 2.301 20 0 DEADHO Cc1cnc2n1CCC21CCN(C[C@H]([NH3+])Cc2ccccc2)CC1 ZINC001235547961 1084463230 /nfs/dbraw/zinc/46/32/30/1084463230.db2.gz WDNNNRYABVLOAC-GOSISDBHSA-N 1 3 324.472 2.499 20 0 DEADHO Cc1cnc2n1CCC21CC[NH+](C[C@H](N)Cc2ccccc2)CC1 ZINC001235547961 1084463233 /nfs/dbraw/zinc/46/32/33/1084463233.db2.gz WDNNNRYABVLOAC-GOSISDBHSA-N 1 3 324.472 2.499 20 0 DEADHO C[C@@H]1CNCC(F)(F)[C@@H]1CN1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001235859266 1084552536 /nfs/dbraw/zinc/55/25/36/1084552536.db2.gz MBJSNRVWSHAKOS-FVQBIDKESA-N 1 3 309.404 2.124 20 0 DEADHO F[C@@H]1CNCC[C@H]1N(Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC001235937433 1084568388 /nfs/dbraw/zinc/56/83/88/1084568388.db2.gz RNYLHJRMGOALFH-RCCFBDPRSA-N 1 3 305.441 2.188 20 0 DEADHO Cc1cc(CN(C)CCN2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC001236083887 1084610337 /nfs/dbraw/zinc/61/03/37/1084610337.db2.gz WZZAEIVEKMUVAH-UHFFFAOYSA-N 1 3 315.383 2.351 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]([NH2+]CC2CCC2)C12CCC2 ZINC001078794366 1084897842 /nfs/dbraw/zinc/89/78/42/1084897842.db2.gz GCLNRJCAVQYZJO-JKSUJKDBSA-N 1 3 316.449 2.078 20 0 DEADHO CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2CN(C)C)C12CCC2 ZINC001078820275 1084900172 /nfs/dbraw/zinc/90/01/72/1084900172.db2.gz WAFXIQRNWYEBQY-DLBZAZTESA-N 1 3 315.461 2.399 20 0 DEADHO CC(C)=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001486203266 1085128270 /nfs/dbraw/zinc/12/82/70/1085128270.db2.gz WERCMBMDPGSZMA-HZPDHXFCSA-N 1 3 307.482 2.311 20 0 DEADHO CC(C)=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001486203264 1085128677 /nfs/dbraw/zinc/12/86/77/1085128677.db2.gz WERCMBMDPGSZMA-CVEARBPZSA-N 1 3 307.482 2.311 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC001486218870 1085150625 /nfs/dbraw/zinc/15/06/25/1085150625.db2.gz AOZSNGAAGRWBMJ-ZBFHGGJFSA-N 1 3 323.506 2.463 20 0 DEADHO CN(C)C1(C(=O)N2C[C@H]([NH2+]C/C=C\Cl)C(C)(C)C2)CCC1 ZINC001486234284 1085172682 /nfs/dbraw/zinc/17/26/82/1085172682.db2.gz INTFXPQSWPHDNU-XURPKSDJSA-N 1 3 313.873 2.050 20 0 DEADHO CC(C)[NH2+]C1CC2(CC(NC(=O)CN3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000965932857 1085699098 /nfs/dbraw/zinc/69/90/98/1085699098.db2.gz AODAKWBSFJLTHY-GFBLOWMDSA-N 1 3 307.482 2.285 20 0 DEADHO CCc1ccccc1C[NH2+]CCNC(=O)[C@@H](F)CN(CC)CC ZINC001128532953 1086186936 /nfs/dbraw/zinc/18/69/36/1086186936.db2.gz CBDSRWAMJFLSQM-KRWDZBQOSA-N 1 3 323.456 2.135 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001128545092 1086211491 /nfs/dbraw/zinc/21/14/91/1086211491.db2.gz UECRRUAWYGPDNM-RDJZCZTQSA-N 1 3 323.456 2.442 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]CC=C(Cl)Cl)N(C)C ZINC001273130640 1086299414 /nfs/dbraw/zinc/29/94/14/1086299414.db2.gz BJRYXMSVSSUJKO-YPMHNXCESA-N 1 3 324.296 2.376 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C1C[NH+](C[C@H](C)CC(C)C)C1 ZINC001409967683 1086336603 /nfs/dbraw/zinc/33/66/03/1086336603.db2.gz FHVVKMDQBWWQQH-ZIAGYGMSSA-N 1 3 320.481 2.379 20 0 DEADHO CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCN3C(C)C)C2)C1 ZINC000963789474 1086559920 /nfs/dbraw/zinc/55/99/20/1086559920.db2.gz ZOFNKMAOSBWPOK-HVEGKCCWSA-N 1 3 307.482 2.286 20 0 DEADHO CC[NH2+]C1CC2(CC(NC(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000963808706 1086566014 /nfs/dbraw/zinc/56/60/14/1086566014.db2.gz POKQRFCOMQAGQZ-UHFFFAOYSA-N 1 3 307.482 2.288 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]CC2=CCCCC2)CCC1)N(C)C ZINC001273186037 1087237608 /nfs/dbraw/zinc/23/76/08/1087237608.db2.gz HPOAWQUFQVTPRO-MRXNPFEDSA-N 1 3 307.482 2.456 20 0 DEADHO CC(C)=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001079844932 1088446602 /nfs/dbraw/zinc/44/66/02/1088446602.db2.gz HLYNBOOPSSDBDZ-FGTMMUONSA-N 1 3 321.509 2.367 20 0 DEADHO CC(C)=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001079844932 1088446614 /nfs/dbraw/zinc/44/66/14/1088446614.db2.gz HLYNBOOPSSDBDZ-FGTMMUONSA-N 1 3 321.509 2.367 20 0 DEADHO C[C@@H]1C[N@H+](CC2CCC2)C[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC001080188577 1088666677 /nfs/dbraw/zinc/66/66/77/1088666677.db2.gz LXKNFIGUNDHFSE-ZTFGCOKTSA-N 1 3 319.493 2.097 20 0 DEADHO C[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC001080188577 1088666681 /nfs/dbraw/zinc/66/66/81/1088666681.db2.gz LXKNFIGUNDHFSE-ZTFGCOKTSA-N 1 3 319.493 2.097 20 0 DEADHO CN(C)CC[N@@H+]1CCC2(C1)CCN(Cc1ccc(F)nc1)CC2 ZINC001276327724 1089024935 /nfs/dbraw/zinc/02/49/35/1089024935.db2.gz DXSFSNJEDUARRJ-UHFFFAOYSA-N 1 3 320.456 2.070 20 0 DEADHO CN(C)CC[N@H+]1CCC2(C1)CCN(Cc1ccc(F)nc1)CC2 ZINC001276327724 1089024950 /nfs/dbraw/zinc/02/49/50/1089024950.db2.gz DXSFSNJEDUARRJ-UHFFFAOYSA-N 1 3 320.456 2.070 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CC1CCCC1 ZINC001082740793 1090066395 /nfs/dbraw/zinc/06/63/95/1090066395.db2.gz GMGFHNWFARAGLQ-HLLBOEOZSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC3CCCC3)C[C@H]21)N(C)C ZINC001084427348 1090286825 /nfs/dbraw/zinc/28/68/25/1090286825.db2.gz DNRVHYGZZVQKPP-KURKYZTESA-N 1 3 321.509 2.296 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC3CCCC3)C[C@H]21)N(C)C ZINC001084427348 1090286829 /nfs/dbraw/zinc/28/68/29/1090286829.db2.gz DNRVHYGZZVQKPP-KURKYZTESA-N 1 3 321.509 2.296 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CC3CC3)[C@H]2C1 ZINC001084953360 1090542284 /nfs/dbraw/zinc/54/22/84/1090542284.db2.gz GTCKLTKQDHYOHO-KURKYZTESA-N 1 3 319.493 2.194 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC3CC3)[C@H]2C1 ZINC001084953360 1090542290 /nfs/dbraw/zinc/54/22/90/1090542290.db2.gz GTCKLTKQDHYOHO-KURKYZTESA-N 1 3 319.493 2.194 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)NCc2ccsc2)CC[N@@H+]1C ZINC001410384566 1090602253 /nfs/dbraw/zinc/60/22/53/1090602253.db2.gz QDTODYNKQIKDGW-CWRNSKLLSA-N 1 3 323.506 2.415 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)NCc2ccsc2)CC[N@H+]1C ZINC001410384566 1090602255 /nfs/dbraw/zinc/60/22/55/1090602255.db2.gz QDTODYNKQIKDGW-CWRNSKLLSA-N 1 3 323.506 2.415 20 0 DEADHO CC[C@@H](C(=O)NC/C=C\C[NH2+]CC1CCC(C)CC1)N(C)C ZINC001274371635 1091210057 /nfs/dbraw/zinc/21/00/57/1091210057.db2.gz YGNSJONZYZNQHJ-KXERVDIVSA-N 1 3 309.498 2.415 20 0 DEADHO CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001274369095 1091211292 /nfs/dbraw/zinc/21/12/92/1091211292.db2.gz PFRNKXZEKSDGND-KJPDOMRESA-N 1 3 323.868 2.442 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001274887027 1091458382 /nfs/dbraw/zinc/45/83/82/1091458382.db2.gz WKUFMYNHEJGHDH-LJQANCHMSA-N 1 3 315.461 2.306 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001274887027 1091458389 /nfs/dbraw/zinc/45/83/89/1091458389.db2.gz WKUFMYNHEJGHDH-LJQANCHMSA-N 1 3 315.461 2.306 20 0 DEADHO c1c[nH]c(C[N@@H+]2CC[C@H]3CN(Cc4ccon4)C[C@H]3CC2)c1 ZINC001276071379 1091506958 /nfs/dbraw/zinc/50/69/58/1091506958.db2.gz VFXWHDICOOUPDA-GASCZTMLSA-N 1 3 300.406 2.347 20 0 DEADHO c1c[nH]c(C[N@H+]2CC[C@H]3CN(Cc4ccon4)C[C@H]3CC2)c1 ZINC001276071379 1091506965 /nfs/dbraw/zinc/50/69/65/1091506965.db2.gz VFXWHDICOOUPDA-GASCZTMLSA-N 1 3 300.406 2.347 20 0 DEADHO CN(C)CC[N@@H+]1CCCC2(CCN(Cc3cc[nH]c3)CC2)C1 ZINC001276102104 1091551149 /nfs/dbraw/zinc/55/11/49/1091551149.db2.gz YPNKDAIYGWRGMV-UHFFFAOYSA-N 1 3 304.482 2.254 20 0 DEADHO CN(C)CC[N@H+]1CCCC2(CCN(Cc3cc[nH]c3)CC2)C1 ZINC001276102104 1091551160 /nfs/dbraw/zinc/55/11/60/1091551160.db2.gz YPNKDAIYGWRGMV-UHFFFAOYSA-N 1 3 304.482 2.254 20 0 DEADHO c1csc(CN2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)n1 ZINC001276183903 1091662599 /nfs/dbraw/zinc/66/25/99/1091662599.db2.gz XARKRQKNQRNADR-GASCZTMLSA-N 1 3 317.462 2.210 20 0 DEADHO c1csc(CN2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)n1 ZINC001276183903 1091662601 /nfs/dbraw/zinc/66/26/01/1091662601.db2.gz XARKRQKNQRNADR-GASCZTMLSA-N 1 3 317.462 2.210 20 0 DEADHO CN(C)CCN1CC[C@@]2(CCC[N@@H+]2CC2CCCCC2)C1=O ZINC001273509240 1091890964 /nfs/dbraw/zinc/89/09/64/1091890964.db2.gz MNKUWCLMWJTPLG-SFHVURJKSA-N 1 3 307.482 2.195 20 0 DEADHO CN(C)CCN1CC[C@@]2(CCC[N@H+]2CC2CCCCC2)C1=O ZINC001273509240 1091890974 /nfs/dbraw/zinc/89/09/74/1091890974.db2.gz MNKUWCLMWJTPLG-SFHVURJKSA-N 1 3 307.482 2.195 20 0 DEADHO CC[C@@H](C)C[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001489237919 1092999304 /nfs/dbraw/zinc/99/93/04/1092999304.db2.gz CBKBVFBLJAUVEN-CABCVRRESA-N 1 3 306.454 2.359 20 0 DEADHO CN(C)CCN1CC2(CCC1=O)CC[NH+](C1CCCC1)CC2 ZINC001274024300 1093773004 /nfs/dbraw/zinc/77/30/04/1093773004.db2.gz HQDIKLGLJDPPHC-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CN(C)C[C@H](NC(=O)[C@H]1C[C@@H]1C1CC[NH2+]CC1)c1ccccc1 ZINC000353429498 1138318779 /nfs/dbraw/zinc/31/87/79/1138318779.db2.gz TZFPDGLUYGMCKH-SQNIBIBYSA-N 1 3 315.461 2.041 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1F ZINC001368895395 1148754192 /nfs/dbraw/zinc/75/41/92/1148754192.db2.gz ORZKWFOWLAKTRA-ZIAGYGMSSA-N 1 3 309.429 2.149 20 0 DEADHO C[C@@H](CN1CC2(C1)CC[N@H+](CCN(C)C)C2)CC(F)(F)F ZINC001278183338 1138819369 /nfs/dbraw/zinc/81/93/69/1138819369.db2.gz FPKJRQKZEVYOBN-CYBMUJFWSA-N 1 3 307.404 2.144 20 0 DEADHO C[C@@H](CN1CC2(C1)CC[N@@H+](CCN(C)C)C2)CC(F)(F)F ZINC001278183338 1138819371 /nfs/dbraw/zinc/81/93/71/1138819371.db2.gz FPKJRQKZEVYOBN-CYBMUJFWSA-N 1 3 307.404 2.144 20 0 DEADHO CC(C)(C)[PH+](CCCNS(=O)(=O)CCN)C(C)(C)C ZINC001238886133 1138883581 /nfs/dbraw/zinc/88/35/81/1138883581.db2.gz BEDZECUTRQMZPZ-UHFFFAOYSA-N 1 3 310.444 2.334 20 0 DEADHO CC[NH+](CC)CCn1cc(-c2cncc(CN(C)C)c2)cn1 ZINC001239209560 1138984546 /nfs/dbraw/zinc/98/45/46/1138984546.db2.gz PXJJSWOEQORYOS-UHFFFAOYSA-N 1 3 301.438 2.349 20 0 DEADHO O=C(NC[C@H]1CCC2(CCNCC2)[NH2+]1)Oc1ccc(Cl)cc1 ZINC001239319755 1139019952 /nfs/dbraw/zinc/01/99/52/1139019952.db2.gz SDBAFHKNMREJII-CYBMUJFWSA-N 1 3 323.824 2.303 20 0 DEADHO CN(C)/C=C/c1ccncc1-c1ccc(N2CC[NH2+]CC2)nc1 ZINC001240492063 1139387271 /nfs/dbraw/zinc/38/72/71/1139387271.db2.gz YKIJNNBZNVLOSP-UXBLZVDNSA-N 1 3 309.417 2.086 20 0 DEADHO CN(Cc1ccc(-c2ccnc(N3CC[NH2+]CC3)c2)nc1)C1CC1 ZINC001242395278 1139898384 /nfs/dbraw/zinc/89/83/84/1139898384.db2.gz VMGDIKMVGINQKB-UHFFFAOYSA-N 1 3 323.444 2.147 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+]CCCC1CCC1 ZINC001319114400 1140506217 /nfs/dbraw/zinc/50/62/17/1140506217.db2.gz YLOWDUAURUQBFY-MRXNPFEDSA-N 1 3 304.438 2.113 20 0 DEADHO C[C@H](C[NH2+]CCCc1ccccc1)N(C)C(=O)CN1CCCC1 ZINC001319574754 1140618649 /nfs/dbraw/zinc/61/86/49/1140618649.db2.gz MNPVYJFQQLLJBS-QGZVFWFLSA-N 1 3 317.477 2.152 20 0 DEADHO CC(C)(C)c1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCCNC2)cc1 ZINC001245986659 1140842256 /nfs/dbraw/zinc/84/22/56/1140842256.db2.gz ZIKYBAYKRJOUHW-CVEARBPZSA-N 1 3 306.450 2.065 20 0 DEADHO C[C@H]1CC[C@@H](CN)[N@@H+]1C[C@H](O)COc1cccc2ccccc21 ZINC001246018709 1140847163 /nfs/dbraw/zinc/84/71/63/1140847163.db2.gz WVBTWKHNASMABO-XIRDDKMYSA-N 1 3 314.429 2.391 20 0 DEADHO C[C@H]1CC[C@@H](CN)[N@H+]1C[C@H](O)COc1cccc2ccccc21 ZINC001246018709 1140847166 /nfs/dbraw/zinc/84/71/66/1140847166.db2.gz WVBTWKHNASMABO-XIRDDKMYSA-N 1 3 314.429 2.391 20 0 DEADHO C[C@@]1(C[NH3+])CCCCN(C[C@H](O)COc2cccc(F)c2)C1 ZINC001246018315 1140847336 /nfs/dbraw/zinc/84/73/36/1140847336.db2.gz ASWZRNRUTGHTQT-RDJZCZTQSA-N 1 3 310.413 2.016 20 0 DEADHO CC(C)c1ccc(OC[C@H](O)CN2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC001246018771 1140847437 /nfs/dbraw/zinc/84/74/37/1140847437.db2.gz XTQOQRGSYNJFAV-USXIJHARSA-N 1 3 306.450 2.076 20 0 DEADHO Cc1cc(F)ccc1[C@@H]1C[C@H](N[C@@H]2CCNC[C@@H]2F)CC[NH2+]1 ZINC001246091952 1140860313 /nfs/dbraw/zinc/86/03/13/1140860313.db2.gz HWHIFQVVOPIENA-XBVQOTNRSA-N 1 3 309.404 2.217 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@@H]1CN[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001246118428 1140863159 /nfs/dbraw/zinc/86/31/59/1140863159.db2.gz HDYDMYWBBGSDFU-NXHRZFHOSA-N 1 3 315.461 2.013 20 0 DEADHO O=C(c1ccccc1)N1CCC[C@@H]([NH2+][C@H]2CNCC23CC3)CC1 ZINC001246135149 1140864744 /nfs/dbraw/zinc/86/47/44/1140864744.db2.gz STEUZNWNSFQBDX-SJORKVTESA-N 1 3 313.445 2.023 20 0 DEADHO COc1ccc(Cl)c2c1C[C@H]([NH2+][C@H]1[C@@H]3C[C@H]1CNC3)CC2 ZINC001246144090 1140866337 /nfs/dbraw/zinc/86/63/37/1140866337.db2.gz BGHVVLRFLKDIIR-DRAKQNMHSA-N 1 3 306.837 2.403 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001246207845 1140873390 /nfs/dbraw/zinc/87/33/90/1140873390.db2.gz ZFDMXIIKLZRTQX-BRWVUGGUSA-N 1 3 301.434 2.037 20 0 DEADHO C[C@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)CCN1 ZINC001246354624 1140887508 /nfs/dbraw/zinc/88/75/08/1140887508.db2.gz XKLKZKCOROVNTC-DZGCQCFKSA-N 1 3 319.424 2.160 20 0 DEADHO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CC12CNC2 ZINC001246442811 1140899198 /nfs/dbraw/zinc/89/91/98/1140899198.db2.gz DXGGPADOYBIVIG-MFKMUULPSA-N 1 3 300.324 2.468 20 0 DEADHO COc1cc2c(cc1OC)C[C@@H]([NH2+][C@H]1CCN[C@H](C)C1)CC2 ZINC001246465386 1140910168 /nfs/dbraw/zinc/91/01/68/1140910168.db2.gz XVKRRFWKLCQTSJ-KCXAZCMYSA-N 1 3 304.434 2.291 20 0 DEADHO CCN(CC[NH2+]Cc1ccsc1)C(=O)CN(C)C1CCC1 ZINC001320756780 1140912835 /nfs/dbraw/zinc/91/28/35/1140912835.db2.gz SEKFKCOEOSVQNF-UHFFFAOYSA-N 1 3 309.479 2.171 20 0 DEADHO N[C@@]1(C(F)(F)F)CCN(C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001246572896 1140976873 /nfs/dbraw/zinc/97/68/73/1140976873.db2.gz VDBFDBURQBOMGY-AWEZNQCLSA-N 1 3 314.355 2.016 20 0 DEADHO NC[C@H]1CCCC[N@@H+]([C@@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001246579665 1140982548 /nfs/dbraw/zinc/98/25/48/1140982548.db2.gz CUNOEBHRVKEQFV-QZTJIDSGSA-N 1 3 315.461 2.238 20 0 DEADHO NC[C@H]1CCCC[N@H+]([C@@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001246579665 1140982565 /nfs/dbraw/zinc/98/25/65/1140982565.db2.gz CUNOEBHRVKEQFV-QZTJIDSGSA-N 1 3 315.461 2.238 20 0 DEADHO C[C@H](Cc1ccc(OC(F)(F)F)cc1)N1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246655189 1141026049 /nfs/dbraw/zinc/02/60/49/1141026049.db2.gz GNBLIXXOFRYKFD-QQUHWDOBSA-N 1 3 300.324 2.405 20 0 DEADHO CC[C@H](Cc1ccc2c(c1)OCO2)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246668972 1141029515 /nfs/dbraw/zinc/02/95/15/1141029515.db2.gz RAVGOIXTWIRRKC-BZUAXINKSA-N 1 3 302.418 2.278 20 0 DEADHO C(OC[C@]12COC[C@H]1CN([C@@H]1CCCC[NH2+]C1)C2)C1CCCC1 ZINC001246755107 1141052233 /nfs/dbraw/zinc/05/22/33/1141052233.db2.gz GZNHYOJCXGLHGD-GUDVDZBRSA-N 1 3 322.493 2.284 20 0 DEADHO C(OC[C@]12COC[C@H]1C[N@@H+]([C@@H]1CCCCNC1)C2)C1CCCC1 ZINC001246755107 1141052245 /nfs/dbraw/zinc/05/22/45/1141052245.db2.gz GZNHYOJCXGLHGD-GUDVDZBRSA-N 1 3 322.493 2.284 20 0 DEADHO C(OC[C@]12COC[C@H]1C[N@H+]([C@@H]1CCCCNC1)C2)C1CCCC1 ZINC001246755107 1141052254 /nfs/dbraw/zinc/05/22/54/1141052254.db2.gz GZNHYOJCXGLHGD-GUDVDZBRSA-N 1 3 322.493 2.284 20 0 DEADHO Fc1ccc([C@@H]2CSCCN2[C@@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246823046 1141077629 /nfs/dbraw/zinc/07/76/29/1141077629.db2.gz MSLGMYFTDOHZIN-CVEARBPZSA-N 1 3 321.465 2.010 20 0 DEADHO C[C@@H]1CC[C@@H](N(Cc2ccccc2)[C@@H]2CCNC[C@H]2F)C[NH2+]1 ZINC001246847772 1141084744 /nfs/dbraw/zinc/08/47/44/1141084744.db2.gz SCAULUCHVOUIMZ-VDHUWJSZSA-N 1 3 305.441 2.329 20 0 DEADHO CCOC(=O)c1ccc(C[C@H](C)[N@@H+]2C[C@H]3CC[C@]3(N)C2)cc1 ZINC001246859909 1141092350 /nfs/dbraw/zinc/09/23/50/1141092350.db2.gz LTUGKKJGVPBEDP-XCRHUMRWSA-N 1 3 302.418 2.217 20 0 DEADHO CCOC(=O)c1ccc(C[C@H](C)[N@H+]2C[C@H]3CC[C@]3(N)C2)cc1 ZINC001246859909 1141092354 /nfs/dbraw/zinc/09/23/54/1141092354.db2.gz LTUGKKJGVPBEDP-XCRHUMRWSA-N 1 3 302.418 2.217 20 0 DEADHO CCOC(=O)N1CCC(C)(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)CC1 ZINC001474756489 1141128484 /nfs/dbraw/zinc/12/84/84/1141128484.db2.gz HDYKUVCLFCCSLV-HRCADAONSA-N 1 3 323.481 2.175 20 0 DEADHO CC1(C)NC[C@@H](c2nc3cccc(F)c3n2C2CC[NH2+]CC2)O1 ZINC001247028296 1141246183 /nfs/dbraw/zinc/24/61/83/1141246183.db2.gz WPJGAILPOASSPM-AWEZNQCLSA-N 1 3 318.396 2.497 20 0 DEADHO Fc1ccc(-c2noc([C@@H]3CNCC34C[NH2+]C4)n2)c2ccccc12 ZINC001247831721 1141544141 /nfs/dbraw/zinc/54/41/41/1141544141.db2.gz VDZVIHLVOATDBM-AWEZNQCLSA-N 1 3 324.359 2.305 20 0 DEADHO CC/C=C/CCN1CC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001323246223 1141832536 /nfs/dbraw/zinc/83/25/36/1141832536.db2.gz KUFOFKKYOWLIIZ-XPQDNOAISA-N 1 3 307.482 2.408 20 0 DEADHO CC/C=C/CCN1CC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001323246223 1141832538 /nfs/dbraw/zinc/83/25/38/1141832538.db2.gz KUFOFKKYOWLIIZ-XPQDNOAISA-N 1 3 307.482 2.408 20 0 DEADHO CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001278583316 1142242940 /nfs/dbraw/zinc/24/29/40/1142242940.db2.gz YHWJSTBEDCFXPP-AEFFLSMTSA-N 1 3 309.498 2.489 20 0 DEADHO CN(CC(=O)N[C@@H]1CC[C@H](C[NH2+]CCCF)C1)CC(C)(C)C ZINC001278592387 1142278851 /nfs/dbraw/zinc/27/88/51/1142278851.db2.gz BMWWMHWIWGHVDV-LSDHHAIUSA-N 1 3 315.477 2.198 20 0 DEADHO COc1cccc([C@@H](O)C[NH2+]CCCN2CCC(C)CC2)c1 ZINC001250731283 1142293401 /nfs/dbraw/zinc/29/34/01/1142293401.db2.gz ZXDNEGFJLJGMCH-SFHVURJKSA-N 1 3 306.450 2.440 20 0 DEADHO C[NH+](C)CCC(C)(C)NC[C@@H](O)COc1ccc(F)cc1F ZINC001250881991 1142344241 /nfs/dbraw/zinc/34/42/41/1142344241.db2.gz VFJBKLRXFFHWJA-CYBMUJFWSA-N 1 3 316.392 2.024 20 0 DEADHO Cc1ccccc1OC[C@@H](O)CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001251739692 1142500839 /nfs/dbraw/zinc/50/08/39/1142500839.db2.gz ITQXVGRADAQFIZ-FJIDUMEYSA-N 1 3 318.461 2.340 20 0 DEADHO Cc1ccccc1OC[C@@H](O)CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001251739692 1142500852 /nfs/dbraw/zinc/50/08/52/1142500852.db2.gz ITQXVGRADAQFIZ-FJIDUMEYSA-N 1 3 318.461 2.340 20 0 DEADHO Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCN(C(C)C)C[C@@H]1C ZINC001251747844 1142502909 /nfs/dbraw/zinc/50/29/09/1142502909.db2.gz BFGNVHBRIWCWJH-RCCFBDPRSA-N 1 3 320.477 2.443 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@H]2CN(CN3CC4(CCCC4)CC3=O)C[C@H]2C1 ZINC001337804782 1142802776 /nfs/dbraw/zinc/80/27/76/1142802776.db2.gz GHULGHHFHPAPSB-GVDBMIGSSA-N 1 3 319.493 2.399 20 0 DEADHO CCN(CC)C[C@H](O)C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC001253193166 1142851792 /nfs/dbraw/zinc/85/17/92/1142851792.db2.gz DSMSSBLMYCUSQA-SFHVURJKSA-N 1 3 306.450 2.274 20 0 DEADHO CCN(CC)C[C@H](O)C[NH2+][C@@H](C)COc1c(C)cccc1C ZINC001253208142 1142854093 /nfs/dbraw/zinc/85/40/93/1142854093.db2.gz NLSCOLRJUBJGBZ-DLBZAZTESA-N 1 3 308.466 2.363 20 0 DEADHO C[N@@H+]1CCCC[C@H](CNCCC(=O)Nc2cccc(F)c2)C1 ZINC001338520361 1142861489 /nfs/dbraw/zinc/86/14/89/1142861489.db2.gz PICBOHVFYYGEPD-CQSZACIVSA-N 1 3 307.413 2.476 20 0 DEADHO C[N@H+]1CCCC[C@H](CNCCC(=O)Nc2cccc(F)c2)C1 ZINC001338520361 1142861491 /nfs/dbraw/zinc/86/14/91/1142861491.db2.gz PICBOHVFYYGEPD-CQSZACIVSA-N 1 3 307.413 2.476 20 0 DEADHO CN1CCCC[C@H](C[NH2+]CCC(=O)Nc2cccc(F)c2)C1 ZINC001338520361 1142861493 /nfs/dbraw/zinc/86/14/93/1142861493.db2.gz PICBOHVFYYGEPD-CQSZACIVSA-N 1 3 307.413 2.476 20 0 DEADHO F[C@H]1CN([C@@H]2CC3CC[NH+](CC3)C2)CC[C@H]1N1CCCCC1 ZINC001254866733 1143346386 /nfs/dbraw/zinc/34/63/86/1143346386.db2.gz STWNAYZPRVQYLS-FGTMMUONSA-N 1 3 309.473 2.369 20 0 DEADHO CN1CCN(Cc2cccc(C[NH2+][C@H]3CCSC3)c2)CC1 ZINC001255269449 1143531961 /nfs/dbraw/zinc/53/19/61/1143531961.db2.gz IOGZJWDNNZBICC-KRWDZBQOSA-N 1 3 305.491 2.029 20 0 DEADHO CCc1nnc2ccc(C[NH2+]C3C[C@H]4CCC[C@@H](C3)N4C)cn21 ZINC001255671843 1143800993 /nfs/dbraw/zinc/80/09/93/1143800993.db2.gz VQZCHGBZLJNBOF-MQVJKMGUSA-N 1 3 313.449 2.397 20 0 DEADHO Cc1cnc(O[C@H]2CCN(C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)nc1 ZINC001255682405 1143801925 /nfs/dbraw/zinc/80/19/25/1143801925.db2.gz KIAWIJGRLJNAFP-WFVVYAPDSA-N 1 3 316.449 2.253 20 0 DEADHO Cc1cnc(O[C@H]2CCN(C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)nc1 ZINC001255682405 1143801926 /nfs/dbraw/zinc/80/19/26/1143801926.db2.gz KIAWIJGRLJNAFP-WFVVYAPDSA-N 1 3 316.449 2.253 20 0 DEADHO Cc1cnc(O[C@@H]2CCN(C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)nc1 ZINC001255682402 1143801941 /nfs/dbraw/zinc/80/19/41/1143801941.db2.gz KIAWIJGRLJNAFP-FCLJQHQZSA-N 1 3 316.449 2.253 20 0 DEADHO Cc1cnc(O[C@@H]2CCN(C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)nc1 ZINC001255682402 1143801942 /nfs/dbraw/zinc/80/19/42/1143801942.db2.gz KIAWIJGRLJNAFP-FCLJQHQZSA-N 1 3 316.449 2.253 20 0 DEADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)COc2ccccc2)CC1 ZINC001256558376 1143853695 /nfs/dbraw/zinc/85/36/95/1143853695.db2.gz OHUDZWRNGUYMIK-MRXNPFEDSA-N 1 3 306.450 2.279 20 0 DEADHO CC(C)C(=O)N1CCC[C@]12CCN(C1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001256625181 1143858386 /nfs/dbraw/zinc/85/83/86/1143858386.db2.gz AGRSMDDFKZHSNI-SUTQANCOSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)C(=O)N1CCC[C@]12CCN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001256625181 1143858387 /nfs/dbraw/zinc/85/83/87/1143858387.db2.gz AGRSMDDFKZHSNI-SUTQANCOSA-N 1 3 319.493 2.335 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256682544 1143861693 /nfs/dbraw/zinc/86/16/93/1143861693.db2.gz KRIKDLSHEBNFTJ-VIQWUECVSA-N 1 3 323.525 2.340 20 0 DEADHO CC(C)(C)CN1CC[C@H]([NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001256681361 1143861894 /nfs/dbraw/zinc/86/18/94/1143861894.db2.gz RQFUJIHFFBQTJR-ADKAHSJRSA-N 1 3 323.525 2.340 20 0 DEADHO OC[C@@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1ccccc1F ZINC001256687515 1143862587 /nfs/dbraw/zinc/86/25/87/1143862587.db2.gz XIAQOESETVHMSI-JTTJXQCZSA-N 1 3 322.424 2.092 20 0 DEADHO CCOc1nccc(CNC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC001256852537 1143870712 /nfs/dbraw/zinc/87/07/12/1143870712.db2.gz BPZUKXLUPJPNHA-UHFFFAOYSA-N 1 3 313.405 2.029 20 0 DEADHO CC(C)C[NH+]1CCC(N2CC[C@H]3[C@@H](CCC(=O)N3C)C2)CC1 ZINC001258019686 1143966490 /nfs/dbraw/zinc/96/64/90/1143966490.db2.gz FHZWMZAPBFZFME-RDJZCZTQSA-N 1 3 307.482 2.050 20 0 DEADHO CCC[NH+]1CCC(N2CCCN(Cc3ccncc3)CC2)CC1 ZINC001258771764 1144040150 /nfs/dbraw/zinc/04/01/50/1144040150.db2.gz TWZHGLWJCCWZMY-UHFFFAOYSA-N 1 3 316.493 2.464 20 0 DEADHO C[C@H]1CCC[C@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)C1 ZINC001258825823 1144045340 /nfs/dbraw/zinc/04/53/40/1144045340.db2.gz YOJPAWSRJGHHIS-ADHGMGHFSA-N 1 3 317.481 2.251 20 0 DEADHO C[C@H]1CCC[C@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)C1 ZINC001258825823 1144045343 /nfs/dbraw/zinc/04/53/43/1144045343.db2.gz YOJPAWSRJGHHIS-ADHGMGHFSA-N 1 3 317.481 2.251 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH2+]CCF ZINC001264023844 1144443233 /nfs/dbraw/zinc/44/32/33/1144443233.db2.gz JJLANKLNHWFBIT-HZPDHXFCSA-N 1 3 315.477 2.293 20 0 DEADHO CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001264372283 1144516624 /nfs/dbraw/zinc/51/66/24/1144516624.db2.gz BBXYADUXDWLOLH-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO CCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001264372283 1144516626 /nfs/dbraw/zinc/51/66/26/1144516626.db2.gz BBXYADUXDWLOLH-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO CC/C=C\CC[NH2+][C@H]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001264393805 1144526749 /nfs/dbraw/zinc/52/67/49/1144526749.db2.gz MCLIEDANPDPEBZ-HNXFAEETSA-N 1 3 307.482 2.311 20 0 DEADHO CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)C[C@@H]2C1 ZINC001264655720 1144586450 /nfs/dbraw/zinc/58/64/50/1144586450.db2.gz LFJVGXRGQFQPLR-SJORKVTESA-N 1 3 309.498 2.299 20 0 DEADHO CCCCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)C[C@@H]2C1 ZINC001264655720 1144586455 /nfs/dbraw/zinc/58/64/55/1144586455.db2.gz LFJVGXRGQFQPLR-SJORKVTESA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)[C@H](C(=O)NCCC[N@H+](C)CC1CC(C)(C)C1)N(C)C ZINC001265032119 1144628442 /nfs/dbraw/zinc/62/84/42/1144628442.db2.gz JUJMFFOBUXNLTC-MRXNPFEDSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)[C@H](C(=O)NCCC[N@@H+](C)CC1CC(C)(C)C1)N(C)C ZINC001265032119 1144628445 /nfs/dbraw/zinc/62/84/45/1144628445.db2.gz JUJMFFOBUXNLTC-MRXNPFEDSA-N 1 3 311.514 2.447 20 0 DEADHO CC[C@@H](C(=O)NCCC[N@H+](C)Cc1csc(C)c1)N(C)C ZINC001265036690 1144629408 /nfs/dbraw/zinc/62/94/08/1144629408.db2.gz JVVITGPWKJMSPJ-HNNXBMFYSA-N 1 3 311.495 2.335 20 0 DEADHO CC[C@@H](C(=O)NCCC[N@@H+](C)Cc1csc(C)c1)N(C)C ZINC001265036690 1144629410 /nfs/dbraw/zinc/62/94/10/1144629410.db2.gz JVVITGPWKJMSPJ-HNNXBMFYSA-N 1 3 311.495 2.335 20 0 DEADHO Cc1ccc(C[N@@H+](C)CCCNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001265037001 1144629677 /nfs/dbraw/zinc/62/96/77/1144629677.db2.gz OMCREDXWFSCOKV-QGZVFWFLSA-N 1 3 317.477 2.275 20 0 DEADHO Cc1ccc(C[N@H+](C)CCCNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001265037001 1144629679 /nfs/dbraw/zinc/62/96/79/1144629679.db2.gz OMCREDXWFSCOKV-QGZVFWFLSA-N 1 3 317.477 2.275 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[N@@H+](C)[C@H](C)c1ccccc1 ZINC001265961874 1144770978 /nfs/dbraw/zinc/77/09/78/1144770978.db2.gz IZJBFEJJGSWFOJ-OAHLLOKOSA-N 1 3 314.433 2.460 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[N@H+](C)[C@H](C)c1ccccc1 ZINC001265961874 1144770979 /nfs/dbraw/zinc/77/09/79/1144770979.db2.gz IZJBFEJJGSWFOJ-OAHLLOKOSA-N 1 3 314.433 2.460 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCCC[N@H+](C)CC2CC2)c1 ZINC001265978242 1144775401 /nfs/dbraw/zinc/77/54/01/1144775401.db2.gz GGWGMSYLNIXAFG-UHFFFAOYSA-N 1 3 303.450 2.210 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCCC[N@@H+](C)CC2CC2)c1 ZINC001265978242 1144775406 /nfs/dbraw/zinc/77/54/06/1144775406.db2.gz GGWGMSYLNIXAFG-UHFFFAOYSA-N 1 3 303.450 2.210 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC001364475253 1145280018 /nfs/dbraw/zinc/28/00/18/1145280018.db2.gz FOKGCDVBMIXVLB-IRXDYDNUSA-N 1 3 324.513 2.280 20 0 DEADHO CC[NH+]1CCC(CN2CCC[C@@H]2C(=O)NCc2ccco2)CC1 ZINC001364669534 1145440753 /nfs/dbraw/zinc/44/07/53/1145440753.db2.gz AJLYWYXRPZWESX-QGZVFWFLSA-N 1 3 319.449 2.092 20 0 DEADHO CC1(N2CCC2)CC[NH+](C[C@@H]2CCC[C@@]3(CCOC3)O2)CC1 ZINC001364786387 1145565702 /nfs/dbraw/zinc/56/57/02/1145565702.db2.gz PLRKBPAVMULVKZ-WMZOPIPTSA-N 1 3 308.466 2.275 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H]2CCC[C@@]3(CCOC3)O2)[C@H](C)C1 ZINC001365278197 1145835961 /nfs/dbraw/zinc/83/59/61/1145835961.db2.gz SZTHTEMLCWOGCS-OWSLCNJRSA-N 1 3 310.482 2.377 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C[C@@H]2CCC[C@@]3(CCOC3)O2)[C@H](C)C1 ZINC001365278197 1145835963 /nfs/dbraw/zinc/83/59/63/1145835963.db2.gz SZTHTEMLCWOGCS-OWSLCNJRSA-N 1 3 310.482 2.377 20 0 DEADHO CN(C)c1ccccc1C[NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC001365365932 1145860359 /nfs/dbraw/zinc/86/03/59/1145860359.db2.gz UWLDJCPUVSFUER-MOPGFXCFSA-N 1 3 317.477 2.220 20 0 DEADHO CCC1(N2CCC2)CC[NH+](C[C@@H]2C[C@H]2c2cnn(C)c2)CC1 ZINC001365614866 1145916686 /nfs/dbraw/zinc/91/66/86/1145916686.db2.gz KYMIRZNNTNMECK-DOTOQJQBSA-N 1 3 302.466 2.474 20 0 DEADHO CC(C)CN1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001365801480 1146013636 /nfs/dbraw/zinc/01/36/36/1146013636.db2.gz HHWYRYUYSKCUPR-IRXDYDNUSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)CN1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001365801483 1146013885 /nfs/dbraw/zinc/01/38/85/1146013885.db2.gz HHWYRYUYSKCUPR-SJORKVTESA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C[C@H]1CCN1CC1CCC1)[NH+]1CCCC1 ZINC001365803235 1146014358 /nfs/dbraw/zinc/01/43/58/1146014358.db2.gz KETFVGPEBAZXCV-MSOLQXFVSA-N 1 3 321.509 2.440 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@H](C)CC)C1 ZINC001365808800 1146016252 /nfs/dbraw/zinc/01/62/52/1146016252.db2.gz NNJXWKQIAGWOOJ-NCOADZHNSA-N 1 3 309.498 2.391 20 0 DEADHO CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN(C)C1CCC1 ZINC001365869705 1146034688 /nfs/dbraw/zinc/03/46/88/1146034688.db2.gz FHYYCTGBVKTPMP-HYVNUMGLSA-N 1 3 307.482 2.096 20 0 DEADHO CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN(C)C1CCC1 ZINC001365869705 1146034691 /nfs/dbraw/zinc/03/46/91/1146034691.db2.gz FHYYCTGBVKTPMP-HYVNUMGLSA-N 1 3 307.482 2.096 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCCF)CC(C)(C)C1)N(C)C ZINC001365905000 1146057225 /nfs/dbraw/zinc/05/72/25/1146057225.db2.gz HMDXZROEFUHJRJ-GJZGRUSLSA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CCCF)CC(C)(C)C1)N(C)C ZINC001365905000 1146057233 /nfs/dbraw/zinc/05/72/33/1146057233.db2.gz HMDXZROEFUHJRJ-GJZGRUSLSA-N 1 3 315.477 2.293 20 0 DEADHO CN(CC(=O)N1CCC[C@H]([N@H+](C)CC2CC2)C1)CC(C)(C)C ZINC001491953366 1147017017 /nfs/dbraw/zinc/01/70/17/1147017017.db2.gz WUSIFVZPAHBBDX-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CN(CC(=O)N1CCC[C@H]([N@@H+](C)CC2CC2)C1)CC(C)(C)C ZINC001491953366 1147017024 /nfs/dbraw/zinc/01/70/24/1147017024.db2.gz WUSIFVZPAHBBDX-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001366104394 1147057023 /nfs/dbraw/zinc/05/70/23/1147057023.db2.gz PSVXCTVRHROKNL-YOEHRIQHSA-N 1 3 321.440 2.417 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1)N(C)C ZINC001366119257 1147064268 /nfs/dbraw/zinc/06/42/68/1147064268.db2.gz QYFUVLDOAANFKU-KZNAEPCWSA-N 1 3 317.477 2.380 20 0 DEADHO CN(CC(=O)NC1CCC([NH2+]C/C=C/Cl)CC1)C1CCC1 ZINC001366244712 1147153176 /nfs/dbraw/zinc/15/31/76/1147153176.db2.gz VFZMNAMZSHXDQZ-XCVCLJGOSA-N 1 3 313.873 2.240 20 0 DEADHO C[C@H](CNC(=O)C12CCC[NH+]1CCC2)NCc1ccccc1F ZINC001366292536 1147196112 /nfs/dbraw/zinc/19/61/12/1147196112.db2.gz BYSFHTOBNLSEKM-CQSZACIVSA-N 1 3 319.424 2.048 20 0 DEADHO CC[C@H](C)C[N@H+](C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001366426145 1147268248 /nfs/dbraw/zinc/26/82/48/1147268248.db2.gz AQMNOKGQAALSKF-RDJZCZTQSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C)C[N@@H+](C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001366426145 1147268255 /nfs/dbraw/zinc/26/82/55/1147268255.db2.gz AQMNOKGQAALSKF-RDJZCZTQSA-N 1 3 309.498 2.440 20 0 DEADHO CCCCC[N@H+](C)[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001480735040 1147288657 /nfs/dbraw/zinc/28/86/57/1147288657.db2.gz BNSJNXGVMQHRFX-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001480735040 1147288662 /nfs/dbraw/zinc/28/86/62/1147288662.db2.gz BNSJNXGVMQHRFX-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccccc1)N(C)C ZINC001366464690 1147296316 /nfs/dbraw/zinc/29/63/16/1147296316.db2.gz RBENIQPRTFBSKN-WBVHZDCISA-N 1 3 305.466 2.257 20 0 DEADHO CN(CCNC(=O)CC[NH+](C)C)[C@@H]1CCc2c1cccc2Cl ZINC001366556262 1147349048 /nfs/dbraw/zinc/34/90/48/1147349048.db2.gz BUJMQTBUMZXSDC-MRXNPFEDSA-N 1 3 323.868 2.327 20 0 DEADHO CC[N@H+](CCNC(=O)[C@H](C(C)C)N(C)C)CC1CC(C)(C)C1 ZINC001366616300 1147397542 /nfs/dbraw/zinc/39/75/42/1147397542.db2.gz IFCALQIJZNKTKD-INIZCTEOSA-N 1 3 311.514 2.447 20 0 DEADHO CC[N@@H+](CCNC(=O)[C@H](C(C)C)N(C)C)CC1CC(C)(C)C1 ZINC001366616300 1147397547 /nfs/dbraw/zinc/39/75/47/1147397547.db2.gz IFCALQIJZNKTKD-INIZCTEOSA-N 1 3 311.514 2.447 20 0 DEADHO Cc1cc(C[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)ccc1Cl ZINC001308257638 1147460250 /nfs/dbraw/zinc/46/02/50/1147460250.db2.gz XGIKQCBNAYQYDJ-OAHLLOKOSA-N 1 3 323.868 2.325 20 0 DEADHO CN(C)C1(C(=O)NCC[N@H+](CC2CC(C)(C)C2)C2CC2)CCC1 ZINC001366747342 1147533845 /nfs/dbraw/zinc/53/38/45/1147533845.db2.gz YKAAIMQLTWTQSI-UHFFFAOYSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)C1(C(=O)NCC[N@@H+](CC2CC(C)(C)C2)C2CC2)CCC1 ZINC001366747342 1147533849 /nfs/dbraw/zinc/53/38/49/1147533849.db2.gz YKAAIMQLTWTQSI-UHFFFAOYSA-N 1 3 321.509 2.488 20 0 DEADHO CCc1ccc(CN2CC[C@@H](NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001367032219 1147636826 /nfs/dbraw/zinc/63/68/26/1147636826.db2.gz IOOBTYOBJWKDEY-GOSISDBHSA-N 1 3 317.477 2.281 20 0 DEADHO CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)NCc1ccccc1F ZINC001367135777 1147655087 /nfs/dbraw/zinc/65/50/87/1147655087.db2.gz UBBYJKRULRCALB-RDJZCZTQSA-N 1 3 323.456 2.396 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCCCC(F)(F)F)C1)N(C)C ZINC001317124380 1147662551 /nfs/dbraw/zinc/66/25/51/1147662551.db2.gz KJOGDRSZMSRTNN-FRRDWIJNSA-N 1 3 323.403 2.296 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CC1CCC1 ZINC001367455472 1147696158 /nfs/dbraw/zinc/69/61/58/1147696158.db2.gz WYCYJWUZXBGXJK-NVXWUHKLSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCCCCF)C1 ZINC001317362683 1147696272 /nfs/dbraw/zinc/69/62/72/1147696272.db2.gz GYBOYQITMPXUDM-LSDHHAIUSA-N 1 3 324.444 2.417 20 0 DEADHO CC(C)[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]C/C=C/Cl ZINC001367493574 1147701832 /nfs/dbraw/zinc/70/18/32/1147701832.db2.gz YBLICJWRAVSLAK-HSBSLETESA-N 1 3 315.889 2.344 20 0 DEADHO CCCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001317524017 1147719900 /nfs/dbraw/zinc/71/99/00/1147719900.db2.gz WSPZLZCTCOJHHJ-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001317524017 1147719901 /nfs/dbraw/zinc/71/99/01/1147719901.db2.gz WSPZLZCTCOJHHJ-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C ZINC001367738726 1147735455 /nfs/dbraw/zinc/73/54/55/1147735455.db2.gz CXFPOUAGFMOGOC-SUMWQHHRSA-N 1 3 316.449 2.102 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cc(C)sc1C)N(C)C ZINC001367738786 1147735715 /nfs/dbraw/zinc/73/57/15/1147735715.db2.gz DOTNAFUWMSAGPA-XHDPSFHLSA-N 1 3 311.495 2.299 20 0 DEADHO CN(CCNCc1ccc(Cl)s1)C(=O)CCC[NH+](C)C ZINC001317634580 1147736539 /nfs/dbraw/zinc/73/65/39/1147736539.db2.gz QMRQWSJCACPGOT-UHFFFAOYSA-N 1 3 317.886 2.291 20 0 DEADHO Cc1cccc(CN(C)C[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001367835613 1147756722 /nfs/dbraw/zinc/75/67/22/1147756722.db2.gz PMJPGFPDXOLLKR-MRXNPFEDSA-N 1 3 317.477 2.273 20 0 DEADHO CC[C@H](F)C[NH2+]CC[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001326289611 1148070670 /nfs/dbraw/zinc/07/06/70/1148070670.db2.gz SAOOSBIJBZMWIX-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](F)CN1CCC[C@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001327161154 1148340534 /nfs/dbraw/zinc/34/05/34/1148340534.db2.gz BQQPJGXOGULWEK-HOTGVXAUSA-N 1 3 315.477 2.437 20 0 DEADHO CC1(CNC(=O)c2cccc(CN3CCCC3)c2)CC[NH2+]CC1 ZINC000181279727 199274761 /nfs/dbraw/zinc/27/47/61/199274761.db2.gz YJLQBKWGHMFQJK-UHFFFAOYSA-N 1 3 315.461 2.402 20 0 DEADHO CN(C)CCOc1ccc(CC[NH2+]C[C@H]2CCC=CO2)cc1 ZINC000278575077 214249286 /nfs/dbraw/zinc/24/92/86/214249286.db2.gz DJHXELPUEWOKOP-GOSISDBHSA-N 1 3 304.434 2.452 20 0 DEADHO CC(C)N1CCN(CCC[NH2+][C@H](CCO)c2ccccc2)CC1 ZINC000278614488 214276188 /nfs/dbraw/zinc/27/61/88/214276188.db2.gz MTJANVWMPCRPFQ-LJQANCHMSA-N 1 3 319.493 2.116 20 0 DEADHO Cc1ncsc1CN(Cc1cn[nH]c1C)C[C@@H]1CC[NH2+]C1 ZINC000328648829 231284238 /nfs/dbraw/zinc/28/42/38/231284238.db2.gz UTERILGPETXESQ-CYBMUJFWSA-N 1 3 305.451 2.095 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000173518497 282191531 /nfs/dbraw/zinc/19/15/31/282191531.db2.gz WACDMZIOMOJWGB-QGZVFWFLSA-N 1 3 318.465 2.032 20 0 DEADHO CN(C)[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455910812 282199224 /nfs/dbraw/zinc/19/92/24/282199224.db2.gz IRIFCJNRSOSULL-WBVHZDCISA-N 1 3 316.449 2.403 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000176745012 282200818 /nfs/dbraw/zinc/20/08/18/282200818.db2.gz ICZDPZIGMLBSKI-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000417749217 529614675 /nfs/dbraw/zinc/61/46/75/529614675.db2.gz JAYKAFGKMSGLHS-YSVLISHTSA-N 1 3 318.465 2.031 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000417749217 529614676 /nfs/dbraw/zinc/61/46/76/529614676.db2.gz JAYKAFGKMSGLHS-YSVLISHTSA-N 1 3 318.465 2.031 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000418111592 529614698 /nfs/dbraw/zinc/61/46/98/529614698.db2.gz XZSBHYUSDFQKGX-RHSMWYFYSA-N 1 3 320.481 2.278 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000417836469 529616449 /nfs/dbraw/zinc/61/64/49/529616449.db2.gz OVYNAQSLGCXRQY-KVSKMBFKSA-N 1 3 315.461 2.145 20 0 DEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000090038847 185279393 /nfs/dbraw/zinc/27/93/93/185279393.db2.gz RZGMFTPBPDOSGK-CGTJXYLNSA-N 1 3 315.461 2.256 20 0 DEADHO CN(C)[C@H](CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+])c1ccccc1 ZINC000262541306 282238498 /nfs/dbraw/zinc/23/84/98/282238498.db2.gz RDMBUNHNKXZZQH-GVDBMIGSSA-N 1 3 303.450 2.313 20 0 DEADHO CN(C)[C@H](CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000449314057 282239038 /nfs/dbraw/zinc/23/90/38/282239038.db2.gz YLNDULVWZYIGFS-SQNIBIBYSA-N 1 3 317.477 2.183 20 0 DEADHO Cc1cc(CN2CCC(C(=O)NCC[NH+](C)C)CC2)ccc1F ZINC000092615681 185329063 /nfs/dbraw/zinc/32/90/63/185329063.db2.gz QDNOJUABMMKEHB-UHFFFAOYSA-N 1 3 321.440 2.024 20 0 DEADHO CCOC(=O)N1CCC([C@H](C)[NH2+]CC[C@H]2CCCN2C)CC1 ZINC000186412852 282275778 /nfs/dbraw/zinc/27/57/78/282275778.db2.gz QPXDLWVKJKVZEG-GOEBONIOSA-N 1 3 311.470 2.317 20 0 DEADHO CN(CCC[N@H+](C)CC1CCCCC1)C(=O)[C@@H]1CCCN1C ZINC001421838769 1172033044 /nfs/dbraw/zinc/03/30/44/1172033044.db2.gz JRBOADORSCYSDF-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CN(CCC[N@@H+](C)CC1CCCCC1)C(=O)[C@@H]1CCCN1C ZINC001421838769 1172033054 /nfs/dbraw/zinc/03/30/54/1172033054.db2.gz JRBOADORSCYSDF-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO C[NH2+]CC1CCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)CC1 ZINC000417785600 529957432 /nfs/dbraw/zinc/95/74/32/529957432.db2.gz BZZCKECLDFAHOJ-MRXNPFEDSA-N 1 3 303.450 2.171 20 0 DEADHO CN1CCC[C@@H](CNC(=O)NCC(C)(C)[NH3+])[C@H]1c1cccs1 ZINC000417741635 530054995 /nfs/dbraw/zinc/05/49/95/530054995.db2.gz UYKDUVVVSXPMCH-JSGCOSHPSA-N 1 3 324.494 2.168 20 0 DEADHO C[NH+](C)CCC1CCN(C[C@H]2COc3ccccc3O2)CC1 ZINC000615462790 362613457 /nfs/dbraw/zinc/61/34/57/362613457.db2.gz WGHJDAAJLTWIRX-INIZCTEOSA-N 1 3 304.434 2.490 20 0 DEADHO C[C@H]1CN(CCC2CC[NH+](CC3(C)COC3)CC2)C[C@H](C)O1 ZINC000426774262 290842589 /nfs/dbraw/zinc/84/25/89/290842589.db2.gz NNXQCIDTFLPOLQ-HOTGVXAUSA-N 1 3 310.482 2.234 20 0 DEADHO C[C@@H]1CN(C(C)(C)CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000166049885 539608801 /nfs/dbraw/zinc/60/88/01/539608801.db2.gz FHERPCSAGNIBPC-YYIAUSFCSA-N 1 3 309.498 2.091 20 0 DEADHO C[C@@H]1CN(C(C)(C)CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000166049885 539608804 /nfs/dbraw/zinc/60/88/04/539608804.db2.gz FHERPCSAGNIBPC-YYIAUSFCSA-N 1 3 309.498 2.091 20 0 DEADHO CN(CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccc(F)cc1 ZINC000166775313 539611006 /nfs/dbraw/zinc/61/10/06/539611006.db2.gz KUJFWTSWKWOCLW-ZWKOTPCHSA-N 1 3 305.441 2.474 20 0 DEADHO CN(CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccc(F)cc1 ZINC000166775313 539611009 /nfs/dbraw/zinc/61/10/09/539611009.db2.gz KUJFWTSWKWOCLW-ZWKOTPCHSA-N 1 3 305.441 2.474 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000279921712 215240108 /nfs/dbraw/zinc/24/01/08/215240108.db2.gz NWRISIGWHUDSFR-SZMVWBNQSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H](CN(C)C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000287094532 219308535 /nfs/dbraw/zinc/30/85/35/219308535.db2.gz PPYGVNVXFKCFGK-GDAAHCPNSA-N 1 3 301.478 2.437 20 0 DEADHO CC[N@@H+]1CC[C@H](N[C@@H]2COc3c(cccc3OC)C2)[C@@H](C)C1 ZINC000247015812 539768003 /nfs/dbraw/zinc/76/80/03/539768003.db2.gz MOVDBPQFQRMQMA-BPUTZDHNSA-N 1 3 304.434 2.319 20 0 DEADHO CC[N@H+]1CC[C@H](N[C@@H]2COc3c(cccc3OC)C2)[C@@H](C)C1 ZINC000247015812 539768006 /nfs/dbraw/zinc/76/80/06/539768006.db2.gz MOVDBPQFQRMQMA-BPUTZDHNSA-N 1 3 304.434 2.319 20 0 DEADHO C[C@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)N(C)Cc1ccccc1 ZINC000237452323 186291853 /nfs/dbraw/zinc/29/18/53/186291853.db2.gz PHJKVGQNTHKEIY-CRAIPNDOSA-N 1 3 303.450 2.155 20 0 DEADHO COCCOCCC[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000268749192 186377555 /nfs/dbraw/zinc/37/75/55/186377555.db2.gz UFSWUJOIEIEHLT-INIZCTEOSA-N 1 3 324.465 2.331 20 0 DEADHO COC[C@H](NCC1(O)CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000279835020 186501405 /nfs/dbraw/zinc/50/14/05/186501405.db2.gz ZLDKGFDYQQYKKM-HNNXBMFYSA-N 1 3 312.841 2.074 20 0 DEADHO CCC1(N2CCOCC2)CC[NH+](CC[C@@H]2CCCCN2C)CC1 ZINC000626087074 366043834 /nfs/dbraw/zinc/04/38/34/366043834.db2.gz AZRCOUSAJNGARZ-SFHVURJKSA-N 1 3 323.525 2.438 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000172825666 198154916 /nfs/dbraw/zinc/15/49/16/198154916.db2.gz SPZXAZSVYCZVRX-QGZVFWFLSA-N 1 3 318.465 2.032 20 0 DEADHO CC(C)[N@H+](C)C[C@H](O)CN1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000319893556 539894730 /nfs/dbraw/zinc/89/47/30/539894730.db2.gz KJEJRRJURGPMNJ-FJIDUMEYSA-N 1 3 312.498 2.093 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000319893556 539894732 /nfs/dbraw/zinc/89/47/32/539894732.db2.gz KJEJRRJURGPMNJ-FJIDUMEYSA-N 1 3 312.498 2.093 20 0 DEADHO CC1CC[NH+](CCCNC(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC000320938570 539898273 /nfs/dbraw/zinc/89/82/73/539898273.db2.gz ICFITRZZDQCQBK-GOSISDBHSA-N 1 3 315.461 2.112 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000174414116 198331488 /nfs/dbraw/zinc/33/14/88/198331488.db2.gz YXQGWVVVOJCISA-MRXNPFEDSA-N 1 3 305.466 2.353 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000174414116 198331489 /nfs/dbraw/zinc/33/14/89/198331489.db2.gz YXQGWVVVOJCISA-MRXNPFEDSA-N 1 3 305.466 2.353 20 0 DEADHO [NH3+][C@@H]1CCCC[C@H]1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000035955376 354164062 /nfs/dbraw/zinc/16/40/62/354164062.db2.gz AVOVABLPGMZBCU-QZTJIDSGSA-N 1 3 315.461 2.285 20 0 DEADHO CCCN(C(=O)[C@H](C)[C@@H](N)c1ccccc1)C1CC[NH2+]CC1 ZINC000236822305 283032245 /nfs/dbraw/zinc/03/22/45/283032245.db2.gz VGOMZAJHEVCBMV-RHSMWYFYSA-N 1 3 303.450 2.313 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCC[NH+](C)C)C1 ZINC000065521795 354685113 /nfs/dbraw/zinc/68/51/13/354685113.db2.gz WQRMILPZOGGCDB-DOTOQJQBSA-N 1 3 318.465 2.073 20 0 DEADHO CC(C)N1CCCN(C(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000069732256 354874719 /nfs/dbraw/zinc/87/47/19/354874719.db2.gz GZCKZXLUEDQYQN-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414931099 540157440 /nfs/dbraw/zinc/15/74/40/540157440.db2.gz UCCFPMMTDJJIJX-YDHLFZDLSA-N 1 3 305.422 2.272 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[C@H](N)C2)cc1 ZINC000414931099 540157443 /nfs/dbraw/zinc/15/74/43/540157443.db2.gz UCCFPMMTDJJIJX-YDHLFZDLSA-N 1 3 305.422 2.272 20 0 DEADHO COc1ccc(-c2n[nH]cc2CN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414924091 540157542 /nfs/dbraw/zinc/15/75/42/540157542.db2.gz JPKJWGIRHPQKCA-GJZGRUSLSA-N 1 3 300.406 2.445 20 0 DEADHO C[C@H](CCN1CCOCC1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000090047792 355553765 /nfs/dbraw/zinc/55/37/65/355553765.db2.gz TXIOXVRLBZFBJD-QGZVFWFLSA-N 1 3 323.525 2.484 20 0 DEADHO C[C@H](CCN1CCOCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000090047792 355553768 /nfs/dbraw/zinc/55/37/68/355553768.db2.gz TXIOXVRLBZFBJD-QGZVFWFLSA-N 1 3 323.525 2.484 20 0 DEADHO CCC[C@H]1[C@@H](C)CCCN1CC(=O)NC1CC[NH+](CC)CC1 ZINC000089131481 355520804 /nfs/dbraw/zinc/52/08/04/355520804.db2.gz UOJRWGVLWRMEIY-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000417017631 295905629 /nfs/dbraw/zinc/90/56/29/295905629.db2.gz HDSQAHIPZKRZKP-HOCLYGCPSA-N 1 3 310.486 2.068 20 0 DEADHO CCc1cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000119733163 355788053 /nfs/dbraw/zinc/78/80/53/355788053.db2.gz AHFOZSDDMMSVSY-UHFFFAOYSA-N 1 3 306.454 2.206 20 0 DEADHO Cc1c(F)cccc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000120227377 355789928 /nfs/dbraw/zinc/78/99/28/355789928.db2.gz CBUQKUFVILCRGU-UHFFFAOYSA-N 1 3 310.417 2.091 20 0 DEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C23CCCN2CCC3)C1 ZINC000370533635 283126074 /nfs/dbraw/zinc/12/60/74/283126074.db2.gz OHQITRYNNLBVJD-OAHLLOKOSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C23CCCN2CCC3)C1 ZINC000370533635 283126078 /nfs/dbraw/zinc/12/60/78/283126078.db2.gz OHQITRYNNLBVJD-OAHLLOKOSA-N 1 3 307.482 2.242 20 0 DEADHO C[NH+](C)C1CCN(CCNCc2scnc2C2CC2)CC1 ZINC000487297128 540211971 /nfs/dbraw/zinc/21/19/71/540211971.db2.gz HQQZHYCPRZIKHE-UHFFFAOYSA-N 1 3 308.495 2.136 20 0 DEADHO CCOC(=O)CCCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000151155957 355925593 /nfs/dbraw/zinc/92/55/93/355925593.db2.gz XLZRKIWYOMTNFG-UHFFFAOYSA-N 1 3 305.422 2.327 20 0 DEADHO CC(C)[NH2+]CCC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000166203711 355976692 /nfs/dbraw/zinc/97/66/92/355976692.db2.gz WQEJSAXHIRJNRG-OAHLLOKOSA-N 1 3 323.506 2.464 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C2CCN(C3CC3)CC2)C1 ZINC000194699012 356244081 /nfs/dbraw/zinc/24/40/81/356244081.db2.gz PLGWFZMDWYMWEK-HNNXBMFYSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C2CCN(C3CC3)CC2)C1 ZINC000194699012 356244084 /nfs/dbraw/zinc/24/40/84/356244084.db2.gz PLGWFZMDWYMWEK-HNNXBMFYSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)[C@@H](C)[NH3+] ZINC000399358368 283151979 /nfs/dbraw/zinc/15/19/79/283151979.db2.gz GLYWBFMFSLMAGH-AHCXZYCDSA-N 1 3 317.477 2.243 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)c1ccsc1 ZINC000236885512 202053674 /nfs/dbraw/zinc/05/36/74/202053674.db2.gz SYRSVEGZUFBQIN-NWANDNLSSA-N 1 3 309.479 2.375 20 0 DEADHO CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@H](N)Cc1ccccc1 ZINC000423769479 283199113 /nfs/dbraw/zinc/19/91/13/283199113.db2.gz YKROKRIDFVWLGN-GOSISDBHSA-N 1 3 317.477 2.279 20 0 DEADHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@H](N)Cc1ccccc1 ZINC000423769479 283199116 /nfs/dbraw/zinc/19/91/16/283199116.db2.gz YKROKRIDFVWLGN-GOSISDBHSA-N 1 3 317.477 2.279 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000382723029 356677629 /nfs/dbraw/zinc/67/76/29/356677629.db2.gz OXHQOKIWRUKNOT-SJLPKXTDSA-N 1 3 315.461 2.109 20 0 DEADHO C[NH2+]CCCC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000237153175 202168801 /nfs/dbraw/zinc/16/88/01/202168801.db2.gz VEMFDJCELJQRBI-UHFFFAOYSA-N 1 3 303.450 2.075 20 0 DEADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1conc1C(C)(C)N ZINC000578205261 356778666 /nfs/dbraw/zinc/77/86/66/356778666.db2.gz KYTWISPOLAYLKJ-UHFFFAOYSA-N 1 3 316.405 2.491 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000578236102 356784476 /nfs/dbraw/zinc/78/44/76/356784476.db2.gz VLMOOQMRBVESHN-MRXNPFEDSA-N 1 3 317.433 2.372 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000578236102 356784480 /nfs/dbraw/zinc/78/44/80/356784480.db2.gz VLMOOQMRBVESHN-MRXNPFEDSA-N 1 3 317.433 2.372 20 0 DEADHO C[NH2+]CCCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000237216637 202191641 /nfs/dbraw/zinc/19/16/41/202191641.db2.gz GFYSKSSMMWBWFQ-RDJZCZTQSA-N 1 3 303.450 2.155 20 0 DEADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000578872386 356885021 /nfs/dbraw/zinc/88/50/21/356885021.db2.gz OELWPOZHVKWOSH-JKSUJKDBSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000578872386 356885023 /nfs/dbraw/zinc/88/50/23/356885023.db2.gz OELWPOZHVKWOSH-JKSUJKDBSA-N 1 3 309.498 2.440 20 0 DEADHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C2CCN(C3CC3)CC2)CC1 ZINC000578891006 356888571 /nfs/dbraw/zinc/88/85/71/356888571.db2.gz ZHMMUVKGZUTWMA-QGZVFWFLSA-N 1 3 319.493 2.097 20 0 DEADHO CNC[C@@](C)(O)C[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000579016244 356909144 /nfs/dbraw/zinc/90/91/44/356909144.db2.gz KZKIHTMTKFDIEP-GOSISDBHSA-N 1 3 317.433 2.176 20 0 DEADHO CNC[C@@](C)(O)C[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000579016244 356909146 /nfs/dbraw/zinc/90/91/46/356909146.db2.gz KZKIHTMTKFDIEP-GOSISDBHSA-N 1 3 317.433 2.176 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NCC1([NH3+])CCCCC1 ZINC000579376131 356967484 /nfs/dbraw/zinc/96/74/84/356967484.db2.gz ZWOZCCCAECPXMA-HNNXBMFYSA-N 1 3 310.486 2.068 20 0 DEADHO O=C(Nc1ccc2c(c1)CNCC2)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000579929643 357053543 /nfs/dbraw/zinc/05/35/43/357053543.db2.gz OYWARQXQKCQBQT-KRWDZBQOSA-N 1 3 314.433 2.034 20 0 DEADHO N[C@H](CC(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000581656838 357224631 /nfs/dbraw/zinc/22/46/31/357224631.db2.gz XXKOKDAHDWUWCN-GVDBMIGSSA-N 1 3 301.434 2.067 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000494852147 283254438 /nfs/dbraw/zinc/25/44/38/283254438.db2.gz YPZIEQOZPWOGGG-DLBZAZTESA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000494852147 283254442 /nfs/dbraw/zinc/25/44/42/283254442.db2.gz YPZIEQOZPWOGGG-DLBZAZTESA-N 1 3 309.498 2.299 20 0 DEADHO COC(=O)COc1c(C)cc(C[N@H+](C)C2CCNCC2)cc1C ZINC000435389454 283261105 /nfs/dbraw/zinc/26/11/05/283261105.db2.gz MJWDEXKAQQJKBG-UHFFFAOYSA-N 1 3 320.433 2.039 20 0 DEADHO COC(=O)COc1c(C)cc(C[N@@H+](C)C2CCNCC2)cc1C ZINC000435389454 283261107 /nfs/dbraw/zinc/26/11/07/283261107.db2.gz MJWDEXKAQQJKBG-UHFFFAOYSA-N 1 3 320.433 2.039 20 0 DEADHO CCC[N@@H+](CCc1csc(C)n1)CCN1CCN(CC)CC1 ZINC000344143821 283269102 /nfs/dbraw/zinc/26/91/02/283269102.db2.gz NTBDIBIXMXEPOO-UHFFFAOYSA-N 1 3 324.538 2.344 20 0 DEADHO CCC[N@H+](CCc1csc(C)n1)CCN1CCN(CC)CC1 ZINC000344143821 283269103 /nfs/dbraw/zinc/26/91/03/283269103.db2.gz NTBDIBIXMXEPOO-UHFFFAOYSA-N 1 3 324.538 2.344 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000591865246 357769338 /nfs/dbraw/zinc/76/93/38/357769338.db2.gz OAYDNOXBPIPFDK-MSOLQXFVSA-N 1 3 315.461 2.282 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000591865246 357769343 /nfs/dbraw/zinc/76/93/43/357769343.db2.gz OAYDNOXBPIPFDK-MSOLQXFVSA-N 1 3 315.461 2.282 20 0 DEADHO C[NH2+]CCC1CCN(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000655973555 540297862 /nfs/dbraw/zinc/29/78/62/540297862.db2.gz GYYBLSMIIMTWFU-SJORKVTESA-N 1 3 322.497 2.034 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)c1cccc2c1CCNC2 ZINC000662827884 540336251 /nfs/dbraw/zinc/33/62/51/540336251.db2.gz PIBWKKNEUYDKQW-UHFFFAOYSA-N 1 3 303.450 2.040 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)c1cccc2c1CCNC2 ZINC000662827884 540336255 /nfs/dbraw/zinc/33/62/55/540336255.db2.gz PIBWKKNEUYDKQW-UHFFFAOYSA-N 1 3 303.450 2.040 20 0 DEADHO CCCN1CC[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)C1 ZINC000666924480 540363579 /nfs/dbraw/zinc/36/35/79/540363579.db2.gz GNQWEZXTIISOLS-BBWFWOEESA-N 1 3 322.497 2.127 20 0 DEADHO CCCN1CC[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)C1 ZINC000666924480 540363581 /nfs/dbraw/zinc/36/35/81/540363581.db2.gz GNQWEZXTIISOLS-BBWFWOEESA-N 1 3 322.497 2.127 20 0 DEADHO CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)cc1 ZINC000179951319 199098185 /nfs/dbraw/zinc/09/81/85/199098185.db2.gz XUMHFTDGHGKREU-GRDNDAEWSA-N 1 3 324.490 2.299 20 0 DEADHO C[C@@H](CC(=O)N1CCCCCC1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995156 540377429 /nfs/dbraw/zinc/37/74/29/540377429.db2.gz DYYYWDACFRTPTF-HOTGVXAUSA-N 1 3 307.482 2.432 20 0 DEADHO C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995156 540377431 /nfs/dbraw/zinc/37/74/31/540377431.db2.gz DYYYWDACFRTPTF-HOTGVXAUSA-N 1 3 307.482 2.432 20 0 DEADHO C[C@@H]1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000237373799 202246174 /nfs/dbraw/zinc/24/61/74/202246174.db2.gz VFQWEOBCOVVHQL-APWZRJJASA-N 1 3 315.461 2.109 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1N[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496078170 283359182 /nfs/dbraw/zinc/35/91/82/283359182.db2.gz ZQUVFGSFPBSPCN-CBBWQLFWSA-N 1 3 311.470 2.314 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1N[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496078170 283359186 /nfs/dbraw/zinc/35/91/86/283359186.db2.gz ZQUVFGSFPBSPCN-CBBWQLFWSA-N 1 3 311.470 2.314 20 0 DEADHO COC(=O)c1cc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cs1 ZINC000595895293 358574001 /nfs/dbraw/zinc/57/40/01/358574001.db2.gz HXLYBTFQZHPBQK-ZIAGYGMSSA-N 1 3 308.447 2.356 20 0 DEADHO COC(=O)c1cc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cs1 ZINC000595895290 358574054 /nfs/dbraw/zinc/57/40/54/358574054.db2.gz HXLYBTFQZHPBQK-KBPBESRZSA-N 1 3 308.447 2.356 20 0 DEADHO CC(C)(CNC(=O)Nc1cccc(CN)c1)C[NH+]1CCCC1 ZINC000667734979 540517238 /nfs/dbraw/zinc/51/72/38/540517238.db2.gz DEOUKZAANMDMAT-UHFFFAOYSA-N 1 3 304.438 2.389 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(CN)c2)C1 ZINC000667726648 540514866 /nfs/dbraw/zinc/51/48/66/540514866.db2.gz VUPOPJHVWAWGTB-OAHLLOKOSA-N 1 3 304.438 2.341 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(CN)c2)C1 ZINC000667726648 540514870 /nfs/dbraw/zinc/51/48/70/540514870.db2.gz VUPOPJHVWAWGTB-OAHLLOKOSA-N 1 3 304.438 2.341 20 0 DEADHO CCOC(=O)c1cccc(CNC2CCC([NH+](C)C)CC2)n1 ZINC000600164728 359670567 /nfs/dbraw/zinc/67/05/67/359670567.db2.gz JKEKKLGLUPRWNK-UHFFFAOYSA-N 1 3 305.422 2.221 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)[C@@]1(C)CC[NH2+]C1)c1ccccc1 ZINC000237511536 202267750 /nfs/dbraw/zinc/26/77/50/202267750.db2.gz ZQFSTCKNIUEGNE-KSSFIOAISA-N 1 3 303.450 2.232 20 0 DEADHO CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433948235 237587534 /nfs/dbraw/zinc/58/75/34/237587534.db2.gz CZKYKHRTNHNPNF-MRXNPFEDSA-N 1 3 322.497 2.129 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000237894990 202383306 /nfs/dbraw/zinc/38/33/06/202383306.db2.gz SPCQNIMZRICZAQ-DLBZAZTESA-N 1 3 315.461 2.285 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)cc1 ZINC000668594389 540695496 /nfs/dbraw/zinc/69/54/96/540695496.db2.gz BXENVMAPJKVASX-AEFFLSMTSA-N 1 3 304.434 2.095 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+]2C[C@@H]3COC[C@]3(C)C2)cc1 ZINC000668594389 540695498 /nfs/dbraw/zinc/69/54/98/540695498.db2.gz BXENVMAPJKVASX-AEFFLSMTSA-N 1 3 304.434 2.095 20 0 DEADHO OC(C[NH2+]C1CCN(c2ccncc2)CC1)(C1CC1)C1CC1 ZINC000668619613 540699432 /nfs/dbraw/zinc/69/94/32/540699432.db2.gz MGTCTFHATXZYRU-UHFFFAOYSA-N 1 3 301.434 2.191 20 0 DEADHO C[C@H]([NH3+])CNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000668644783 540703076 /nfs/dbraw/zinc/70/30/76/540703076.db2.gz XVWKLXAZTHMKID-KBPBESRZSA-N 1 3 324.494 2.168 20 0 DEADHO CCOC(=O)c1ccc(CNCCC2CC[NH+](CC)CC2)[nH]1 ZINC000602558270 360431736 /nfs/dbraw/zinc/43/17/36/360431736.db2.gz NULOBFBHJHEHSR-UHFFFAOYSA-N 1 3 307.438 2.403 20 0 DEADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCC(=O)Nc1ccc(Cl)cc1F ZINC000442796712 238078454 /nfs/dbraw/zinc/07/84/54/238078454.db2.gz VYYHWPFFWODCOH-MNOVXSKESA-N 1 3 313.804 2.477 20 0 DEADHO C[C@H](C(=O)N1CCCc2ccccc21)N1CCC[C@H](CC[NH3+])C1 ZINC000443059382 238102355 /nfs/dbraw/zinc/10/23/55/238102355.db2.gz MORFOLLYFSVLEA-HZPDHXFCSA-N 1 3 315.461 2.415 20 0 DEADHO CCCCN(C)CCNC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669477967 540840743 /nfs/dbraw/zinc/84/07/43/540840743.db2.gz LTUJIPOJEFLPLS-IAGOWNOFSA-N 1 3 324.513 2.140 20 0 DEADHO C[C@H]1CN(CCN2CCC(C[NH+]3CCCCCC3)CC2)CCO1 ZINC000669688318 540880501 /nfs/dbraw/zinc/88/05/01/540880501.db2.gz NSZZHFULMGOIQU-SFHVURJKSA-N 1 3 323.525 2.295 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+]C2(CCO)CCCC2)cc1 ZINC000671724636 541004973 /nfs/dbraw/zinc/00/49/73/541004973.db2.gz MBWZLIKCQMAVJY-UHFFFAOYSA-N 1 3 306.450 2.412 20 0 DEADHO Cc1ncc([C@@H](C)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c(C)n1 ZINC000682070101 542259210 /nfs/dbraw/zinc/25/92/10/542259210.db2.gz JPIBUYKYBBEJHG-UKRRQHHQSA-N 1 3 320.481 2.179 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)C1CC1 ZINC000608653399 361245639 /nfs/dbraw/zinc/24/56/39/361245639.db2.gz YUNWEQKVFAIRQX-NVXWUHKLSA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)C1CC1 ZINC000608653399 361245643 /nfs/dbraw/zinc/24/56/43/361245643.db2.gz YUNWEQKVFAIRQX-NVXWUHKLSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000193477495 201058725 /nfs/dbraw/zinc/05/87/25/201058725.db2.gz VNSUEVFZLBIAFC-PBHICJAKSA-N 1 3 301.434 2.153 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000675193127 541300173 /nfs/dbraw/zinc/30/01/73/541300173.db2.gz DKMOPJSIQJNKIQ-GVDBMIGSSA-N 1 3 324.513 2.375 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000675193127 541300175 /nfs/dbraw/zinc/30/01/75/541300175.db2.gz DKMOPJSIQJNKIQ-GVDBMIGSSA-N 1 3 324.513 2.375 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3CC(C)C3)CC2)CC1 ZINC000622238101 364721272 /nfs/dbraw/zinc/72/12/72/364721272.db2.gz BKJJXUVTMFPGAW-UHFFFAOYSA-N 1 3 321.509 2.345 20 0 DEADHO CCC[N@@H+]1CC[C@@H](CN[C@H](C)c2cccc(-n3cnnn3)c2)C1 ZINC000675765307 541380195 /nfs/dbraw/zinc/38/01/95/541380195.db2.gz BPKRLZLELQTSLI-CABCVRRESA-N 1 3 314.437 2.045 20 0 DEADHO CCC[N@H+]1CC[C@@H](CN[C@H](C)c2cccc(-n3cnnn3)c2)C1 ZINC000675765307 541380198 /nfs/dbraw/zinc/38/01/98/541380198.db2.gz BPKRLZLELQTSLI-CABCVRRESA-N 1 3 314.437 2.045 20 0 DEADHO CCCN1CC[C@@H](C[NH2+][C@H](C)c2cccc(-n3cnnn3)c2)C1 ZINC000675765307 541380201 /nfs/dbraw/zinc/38/02/01/541380201.db2.gz BPKRLZLELQTSLI-CABCVRRESA-N 1 3 314.437 2.045 20 0 DEADHO C[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1cccc(OCCN(C)C)c1 ZINC000675765652 541381234 /nfs/dbraw/zinc/38/12/34/541381234.db2.gz DHLSTAFDXZMGMB-NVXWUHKLSA-N 1 3 305.466 2.372 20 0 DEADHO CCCN(C(=O)Nc1cccc(CN(C)C)c1)[C@@H]1CC[NH2+]C1 ZINC000623056871 364871152 /nfs/dbraw/zinc/87/11/52/364871152.db2.gz PYKQNLAMLOTQMF-MRXNPFEDSA-N 1 3 304.438 2.354 20 0 DEADHO CN(C)CC[N@H+](C)CCCNCc1cc(Cl)ccc1F ZINC000623087910 364881321 /nfs/dbraw/zinc/88/13/21/364881321.db2.gz OCHAMFSPBGJNMJ-UHFFFAOYSA-N 1 3 301.837 2.452 20 0 DEADHO CN(C)CC[N@@H+](C)CCCNCc1cc(Cl)ccc1F ZINC000623087910 364881329 /nfs/dbraw/zinc/88/13/29/364881329.db2.gz OCHAMFSPBGJNMJ-UHFFFAOYSA-N 1 3 301.837 2.452 20 0 DEADHO Cn1cc(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)c(-c2ccc(F)cc2)n1 ZINC000449288461 240316594 /nfs/dbraw/zinc/31/65/94/240316594.db2.gz NBLLCFOOZUBTAZ-GASCZTMLSA-N 1 3 314.408 2.220 20 0 DEADHO Cn1cc(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)c(-c2ccc(F)cc2)n1 ZINC000449288461 240316605 /nfs/dbraw/zinc/31/66/05/240316605.db2.gz NBLLCFOOZUBTAZ-GASCZTMLSA-N 1 3 314.408 2.220 20 0 DEADHO CN1CCCC[C@@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000623655740 365119538 /nfs/dbraw/zinc/11/95/38/365119538.db2.gz DEKFJCDGVYKBSP-ZDUSSCGKSA-N 1 3 307.404 2.335 20 0 DEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000623965691 365237816 /nfs/dbraw/zinc/23/78/16/365237816.db2.gz RDEKIONSDFEKHU-JKSUJKDBSA-N 1 3 324.513 2.138 20 0 DEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623965691 365237817 /nfs/dbraw/zinc/23/78/17/365237817.db2.gz RDEKIONSDFEKHU-JKSUJKDBSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](NC[C@H]1CCCC[N@H+](C)C1)c1cccc(-n2cnnn2)c1 ZINC000624119679 365296150 /nfs/dbraw/zinc/29/61/50/365296150.db2.gz GVTKGNNHVMYRSX-LSDHHAIUSA-N 1 3 314.437 2.045 20 0 DEADHO C[C@H](NC[C@H]1CCCC[N@@H+](C)C1)c1cccc(-n2cnnn2)c1 ZINC000624119679 365296152 /nfs/dbraw/zinc/29/61/52/365296152.db2.gz GVTKGNNHVMYRSX-LSDHHAIUSA-N 1 3 314.437 2.045 20 0 DEADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccc(-n2cnnn2)c1 ZINC000624119679 365296155 /nfs/dbraw/zinc/29/61/55/365296155.db2.gz GVTKGNNHVMYRSX-LSDHHAIUSA-N 1 3 314.437 2.045 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc[nH]c2=O)[C@H](C)C1 ZINC000624258188 365357634 /nfs/dbraw/zinc/35/76/34/365357634.db2.gz BSVHBJCLUYPRIO-GDBMZVCRSA-N 1 3 307.438 2.014 20 0 DEADHO c1c(CN[C@H]2CCC[C@H]2c2ccccc2)nnn1[C@@H]1CC[NH2+]C1 ZINC000629404515 367191464 /nfs/dbraw/zinc/19/14/64/367191464.db2.gz GBURTXUJTZBGRT-SQNIBIBYSA-N 1 3 311.433 2.238 20 0 DEADHO Cc1ccc2ncc(CN3CC[C@H](N4CC[NH2+]CC4)C3)cc2c1 ZINC000629538257 367240718 /nfs/dbraw/zinc/24/07/18/367240718.db2.gz STEKUJWUFBYNIT-SFHVURJKSA-N 1 3 310.445 2.023 20 0 DEADHO [NH3+][C@@H]1CCCCC[C@H]1NCC[C@@H](O)COCc1ccccc1 ZINC000629555212 367247954 /nfs/dbraw/zinc/24/79/54/367247954.db2.gz RWPZHEQQUOYWOM-KZNAEPCWSA-N 1 3 306.450 2.204 20 0 DEADHO O[C@H](CNCC1(Cc2ccccc2)CCC1)C[NH+]1CCCC1 ZINC000629564734 367254536 /nfs/dbraw/zinc/25/45/36/367254536.db2.gz BGLYLZCTSWIFOQ-GOSISDBHSA-N 1 3 302.462 2.446 20 0 DEADHO COc1ccc(C2(CNC[C@H](O)C[NH+]3CCCC3)CCC2)cc1 ZINC000629573134 367256545 /nfs/dbraw/zinc/25/65/45/367256545.db2.gz HJVPYDJQVXJZOJ-KRWDZBQOSA-N 1 3 318.461 2.163 20 0 DEADHO COc1ccsc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000629672975 367296301 /nfs/dbraw/zinc/29/63/01/367296301.db2.gz YZSSWUDZSWHVGD-AWEZNQCLSA-N 1 3 310.463 2.347 20 0 DEADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2[nH]nc3ccccc32)C1 ZINC000678285001 541706568 /nfs/dbraw/zinc/70/65/68/541706568.db2.gz LFKBVJYZTKEUMQ-HNNXBMFYSA-N 1 3 316.449 2.496 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+](C)C[C@H]2CCC[C@H]2O)cc1 ZINC000678333477 541713558 /nfs/dbraw/zinc/71/35/58/541713558.db2.gz BLPKTLMJDLMXKO-SJLPKXTDSA-N 1 3 306.450 2.220 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+](C)C[C@H]2CCC[C@H]2O)cc1 ZINC000678333477 541713560 /nfs/dbraw/zinc/71/35/60/541713560.db2.gz BLPKTLMJDLMXKO-SJLPKXTDSA-N 1 3 306.450 2.220 20 0 DEADHO [NH3+]C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000261535150 203074862 /nfs/dbraw/zinc/07/48/62/203074862.db2.gz PIRSGVNSVOUSED-MOPGFXCFSA-N 1 3 323.440 2.120 20 0 DEADHO C[C@@H](C(=O)N1CCN(C2CC2)C[C@H](C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000452168579 244001139 /nfs/dbraw/zinc/00/11/39/244001139.db2.gz FPOQKAVGRJLWFM-JJXSEGSLSA-N 1 3 307.482 2.190 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(C)nc2C)CC1 ZINC000678412223 541725707 /nfs/dbraw/zinc/72/57/07/541725707.db2.gz TXDZIWVYNYNFDG-JKSUJKDBSA-N 1 3 304.482 2.375 20 0 DEADHO CN(C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000261766899 203112683 /nfs/dbraw/zinc/11/26/83/203112683.db2.gz QKNPJBCZGYFFOJ-OLMNPRSZSA-N 1 3 315.461 2.285 20 0 DEADHO [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000261697584 203096878 /nfs/dbraw/zinc/09/68/78/203096878.db2.gz IBDFEZQCZCMUEJ-KZNAEPCWSA-N 1 3 315.461 2.315 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])CN1Cc1ccccc1 ZINC000261724780 203102910 /nfs/dbraw/zinc/10/29/10/203102910.db2.gz KKNCJINSFDNNOR-BZZMCLGOSA-N 1 3 315.461 2.283 20 0 DEADHO O=C(CC[C@H]1CC[NH2+]C1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000261788680 203116950 /nfs/dbraw/zinc/11/69/50/203116950.db2.gz SRCYBNAVBJSJQT-WMZOPIPTSA-N 1 3 315.461 2.329 20 0 DEADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000261822159 203126613 /nfs/dbraw/zinc/12/66/13/203126613.db2.gz ATGBLXHOYTVKHK-OIISXLGYSA-N 1 3 305.466 2.415 20 0 DEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262369195 203275351 /nfs/dbraw/zinc/27/53/51/203275351.db2.gz LMBAJKSFYLGRIB-RDJZCZTQSA-N 1 3 321.440 2.233 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)C2([NH3+])CCCCC2)CN1Cc1ccccc1 ZINC000262683653 203380733 /nfs/dbraw/zinc/38/07/33/203380733.db2.gz ZNCYDFBMJFLHHO-DOTOQJQBSA-N 1 3 315.461 2.427 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C[C@H](N)c1ccccc1 ZINC000262747530 203398221 /nfs/dbraw/zinc/39/82/21/203398221.db2.gz BFDLKSLCESHOKG-IRXDYDNUSA-N 1 3 303.450 2.457 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)C[C@H](N)c1ccccc1 ZINC000262747530 203398223 /nfs/dbraw/zinc/39/82/23/203398223.db2.gz BFDLKSLCESHOKG-IRXDYDNUSA-N 1 3 303.450 2.457 20 0 DEADHO C[C@H]([NH2+]C[C@H](O)C1CCC1)c1cccc(OCCN(C)C)c1 ZINC000453394629 245115617 /nfs/dbraw/zinc/11/56/17/245115617.db2.gz WJUFFWONWCCGCV-KSSFIOAISA-N 1 3 306.450 2.439 20 0 DEADHO C[C@H](CCCCO)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000679333893 541840750 /nfs/dbraw/zinc/84/07/50/541840750.db2.gz VKQDWBZTRNOTFC-QGZVFWFLSA-N 1 3 319.493 2.075 20 0 DEADHO CC1(C)[C@H](O)C[C@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000679375060 541846079 /nfs/dbraw/zinc/84/60/79/541846079.db2.gz YRDIVJQOMGWBJI-QZTJIDSGSA-N 1 3 318.461 2.410 20 0 DEADHO C[NH+](C)CCOc1cc(CNCc2ccc(O)cc2)ccn1 ZINC000679400315 541850629 /nfs/dbraw/zinc/85/06/29/541850629.db2.gz HQFOAUPGGNCNBJ-UHFFFAOYSA-N 1 3 301.390 2.017 20 0 DEADHO CC[N@H+](C)CCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000066988090 284334823 /nfs/dbraw/zinc/33/48/23/284334823.db2.gz KGUVGRPEHJVUJV-CQSZACIVSA-N 1 3 324.494 2.136 20 0 DEADHO CC[N@@H+](C)CCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000066988090 284334824 /nfs/dbraw/zinc/33/48/24/284334824.db2.gz KGUVGRPEHJVUJV-CQSZACIVSA-N 1 3 324.494 2.136 20 0 DEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530219655 284376784 /nfs/dbraw/zinc/37/67/84/284376784.db2.gz MJIHNPKPQMXVIA-NXHRZFHOSA-N 1 3 314.477 2.166 20 0 DEADHO CC[C@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)N(C)C ZINC000154187411 291583795 /nfs/dbraw/zinc/58/37/95/291583795.db2.gz AVZGSGNHHHMTCV-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@H](NCc1ccn(C)c(=O)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000680401414 542001789 /nfs/dbraw/zinc/00/17/89/542001789.db2.gz YULXJIYNAXPVNF-ZBFHGGJFSA-N 1 3 303.450 2.128 20 0 DEADHO C[C@@H](NCc1ccn(C)c(=O)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000680401414 542001794 /nfs/dbraw/zinc/00/17/94/542001794.db2.gz YULXJIYNAXPVNF-ZBFHGGJFSA-N 1 3 303.450 2.128 20 0 DEADHO C[C@@H]([NH2+]Cc1ccn(C)c(=O)c1)[C@H]1CCCN(C2CCC2)C1 ZINC000680401414 542001798 /nfs/dbraw/zinc/00/17/98/542001798.db2.gz YULXJIYNAXPVNF-ZBFHGGJFSA-N 1 3 303.450 2.128 20 0 DEADHO CC[NH+](CC)CCCCNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000358854934 284583837 /nfs/dbraw/zinc/58/38/37/284583837.db2.gz KKPIQQFXKFYZQT-INIZCTEOSA-N 1 3 309.429 2.106 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC(C)(C)CCC[NH+](C)C ZINC000458364453 248278842 /nfs/dbraw/zinc/27/88/42/248278842.db2.gz ASLPETIKJMYBOZ-OAHLLOKOSA-N 1 3 312.502 2.280 20 0 DEADHO C[C@H]([NH2+]CCCC(=O)N(C)C)c1ccc(OCCN(C)C)cc1 ZINC000268852038 207019544 /nfs/dbraw/zinc/01/95/44/207019544.db2.gz TWUGZMYABIVEQN-HNNXBMFYSA-N 1 3 321.465 2.146 20 0 DEADHO COCCOc1ccc([C@H](C)NCCC[N@H+](C)CCOC)cc1 ZINC000268859426 207026792 /nfs/dbraw/zinc/02/67/92/207026792.db2.gz YODLTKRAOCRZQV-INIZCTEOSA-N 1 3 324.465 2.331 20 0 DEADHO COCCOc1ccc([C@H](C)NCCC[N@@H+](C)CCOC)cc1 ZINC000268859426 207026795 /nfs/dbraw/zinc/02/67/95/207026795.db2.gz YODLTKRAOCRZQV-INIZCTEOSA-N 1 3 324.465 2.331 20 0 DEADHO CO[C@H](C)[C@H](C)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000269041468 207192118 /nfs/dbraw/zinc/19/21/18/207192118.db2.gz GPHCHMHKKPFWJC-LSDHHAIUSA-N 1 3 306.450 2.156 20 0 DEADHO CC[C@H](COC)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000269116026 207252423 /nfs/dbraw/zinc/25/24/23/207252423.db2.gz WNWCNLFQUSQEGX-QGZVFWFLSA-N 1 3 306.450 2.158 20 0 DEADHO C[C@H](c1ccc(Cl)cc1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178497 184276536 /nfs/dbraw/zinc/27/65/36/184276536.db2.gz XKYDEQQVDJIKFR-OCCSQVGLSA-N 1 3 309.841 2.188 20 0 DEADHO CC(C)[C@H](N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000269254122 207396427 /nfs/dbraw/zinc/39/64/27/207396427.db2.gz IOEQHLAWGAFGSL-YOEHRIQHSA-N 1 3 319.449 2.329 20 0 DEADHO CC(C)[C@H](N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000269254122 207396430 /nfs/dbraw/zinc/39/64/30/207396430.db2.gz IOEQHLAWGAFGSL-YOEHRIQHSA-N 1 3 319.449 2.329 20 0 DEADHO C[C@@H]([NH3+])C[C@H](C)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000422982518 532966907 /nfs/dbraw/zinc/96/69/07/532966907.db2.gz QZEDAFWZRHLZAM-CABCVRRESA-N 1 3 305.466 2.429 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC000119701411 195020498 /nfs/dbraw/zinc/02/04/98/195020498.db2.gz MDADKSMUVDMNIF-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC000119701411 195020500 /nfs/dbraw/zinc/02/05/00/195020500.db2.gz MDADKSMUVDMNIF-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO COc1cc(NCCN[C@H]2CCCC[C@H]2C[NH3+])cc(OC)c1 ZINC000423001824 533032668 /nfs/dbraw/zinc/03/26/68/533032668.db2.gz INXFHIMVFRPALW-GUYCJALGSA-N 1 3 307.438 2.223 20 0 DEADHO COc1cc(NCC[NH2+][C@H]2CCCC[C@H]2CN)cc(OC)c1 ZINC000423001824 533032676 /nfs/dbraw/zinc/03/26/76/533032676.db2.gz INXFHIMVFRPALW-GUYCJALGSA-N 1 3 307.438 2.223 20 0 DEADHO CC(C)[NH2+]CCCNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000557217089 291862600 /nfs/dbraw/zinc/86/26/00/291862600.db2.gz OJIILPDTIQARMA-UHFFFAOYSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(OCCN(C)C)cc1 ZINC000158139577 197246919 /nfs/dbraw/zinc/24/69/19/197246919.db2.gz TUOIZLHKRJJJAC-RHSMWYFYSA-N 1 3 324.490 2.146 20 0 DEADHO COc1ccc([C@H](CN[C@@H](C)C2C[NH2+]C2)N2CCCC2)cc1 ZINC000422762214 533183392 /nfs/dbraw/zinc/18/33/92/533183392.db2.gz SCEZPEQVYXBQAC-KSSFIOAISA-N 1 3 303.450 2.030 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000341042263 285257461 /nfs/dbraw/zinc/25/74/61/285257461.db2.gz AYDNIUMZMVOVAQ-JKSUJKDBSA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000341042263 285257463 /nfs/dbraw/zinc/25/74/63/285257463.db2.gz AYDNIUMZMVOVAQ-JKSUJKDBSA-N 1 3 324.513 2.280 20 0 DEADHO CC[C@H](C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1)N(C)C ZINC000120441433 195167883 /nfs/dbraw/zinc/16/78/83/195167883.db2.gz GNYNDLRUHOWMJR-NVXWUHKLSA-N 1 3 305.466 2.353 20 0 DEADHO CC[C@H](C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)N(C)C ZINC000120441433 195167885 /nfs/dbraw/zinc/16/78/85/195167885.db2.gz GNYNDLRUHOWMJR-NVXWUHKLSA-N 1 3 305.466 2.353 20 0 DEADHO C[C@H](NC(=O)NCCN1CCCC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000683564042 542472241 /nfs/dbraw/zinc/47/22/41/542472241.db2.gz AGEPDUTVQUJDGZ-HNNXBMFYSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](CC[NH2+]C1CCN(c2cnccn2)CC1)N1CCCCC1 ZINC000543418047 285284949 /nfs/dbraw/zinc/28/49/49/285284949.db2.gz MPFFRLFEWPAGMY-MRXNPFEDSA-N 1 3 317.481 2.300 20 0 DEADHO COc1ccc(-n2ccc(CN[C@H](C)CCCC[NH3+])n2)cc1 ZINC000422936362 533215229 /nfs/dbraw/zinc/21/52/29/533215229.db2.gz BKZBPPBBLPJKTH-CQSZACIVSA-N 1 3 302.422 2.488 20 0 DEADHO OC[C@]1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@@H]1c1ccccc1 ZINC000289677801 285295911 /nfs/dbraw/zinc/29/59/11/285295911.db2.gz HOBKNDKIPXWCOR-FCGDIQPGSA-N 1 3 300.446 2.369 20 0 DEADHO OC[C@]1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@H]1c1ccccc1 ZINC000289677801 285295914 /nfs/dbraw/zinc/29/59/14/285295914.db2.gz HOBKNDKIPXWCOR-FCGDIQPGSA-N 1 3 300.446 2.369 20 0 DEADHO CC[N@H+](CCCN(C)C)Cc1cn(C)nc1-c1cccnc1 ZINC000289574109 221078301 /nfs/dbraw/zinc/07/83/01/221078301.db2.gz ZZUHXHZDLGVMNX-UHFFFAOYSA-N 1 3 301.438 2.256 20 0 DEADHO CC[N@@H+](CCCN(C)C)Cc1cn(C)nc1-c1cccnc1 ZINC000289574109 221078303 /nfs/dbraw/zinc/07/83/03/221078303.db2.gz ZZUHXHZDLGVMNX-UHFFFAOYSA-N 1 3 301.438 2.256 20 0 DEADHO CC[NH+]1CCC(CNC(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000684117830 542553957 /nfs/dbraw/zinc/55/39/57/542553957.db2.gz ZFNHPFIPXCYZFL-MRXNPFEDSA-N 1 3 324.513 2.138 20 0 DEADHO COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)CO2 ZINC000297598694 533273862 /nfs/dbraw/zinc/27/38/62/533273862.db2.gz HYIZZFCMUHCQHU-JYJNAYRXSA-N 1 3 304.434 2.461 20 0 DEADHO C[C@H](NC(=O)N1C[C@H](C[NH3+])C[C@@H]1C)[C@H](c1ccccc1)N(C)C ZINC000418184180 533617577 /nfs/dbraw/zinc/61/75/77/533617577.db2.gz PNQWOHKFXZQJKC-QBYUYEEZSA-N 1 3 318.465 2.057 20 0 DEADHO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C1 ZINC000684392723 542599249 /nfs/dbraw/zinc/59/92/49/542599249.db2.gz PMXPRIQRFQOMED-HZPDHXFCSA-N 1 3 307.438 2.069 20 0 DEADHO OC[C@H]1CCC[N@@H+]1CCCCN[C@@H]1CCCc2cccnc21 ZINC000684955475 542690411 /nfs/dbraw/zinc/69/04/11/542690411.db2.gz NHEBARDXPNNVAY-IAGOWNOFSA-N 1 3 303.450 2.286 20 0 DEADHO OC[C@H]1CCC[N@H+]1CCCCN[C@@H]1CCCc2cccnc21 ZINC000684955475 542690414 /nfs/dbraw/zinc/69/04/14/542690414.db2.gz NHEBARDXPNNVAY-IAGOWNOFSA-N 1 3 303.450 2.286 20 0 DEADHO COCc1ccc(CN(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000685457354 542727334 /nfs/dbraw/zinc/72/73/34/542727334.db2.gz BEOULOKVNJOCBV-MRXNPFEDSA-N 1 3 321.465 2.026 20 0 DEADHO C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CCN(C2CCC2)C1 ZINC000562814971 292012614 /nfs/dbraw/zinc/01/26/14/292012614.db2.gz GVKYBDUUNWDFGQ-YQQAZPJKSA-N 1 3 322.497 2.020 20 0 DEADHO C[C@H](CN(C)C)NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000355860581 133053097 /nfs/dbraw/zinc/05/30/97/133053097.db2.gz MSPFBRSFOIRPBC-ZBFHGGJFSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H](CN(C)C)NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000355860581 133053098 /nfs/dbraw/zinc/05/30/98/133053098.db2.gz MSPFBRSFOIRPBC-ZBFHGGJFSA-N 1 3 310.486 2.033 20 0 DEADHO O=C(NCCN1CCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000357570254 133085760 /nfs/dbraw/zinc/08/57/60/133085760.db2.gz JJKBLBFBLMBHAJ-UHFFFAOYSA-N 1 3 315.461 2.498 20 0 DEADHO CC(C)[NH+](CCNC(=O)N[C@@H](C)C1=CCN(C)CC1)C(C)C ZINC000357814152 133101914 /nfs/dbraw/zinc/10/19/14/133101914.db2.gz JITHONSWPHDKJG-HNNXBMFYSA-N 1 3 310.486 2.055 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C)N(C)C ZINC000357867852 133106383 /nfs/dbraw/zinc/10/63/83/133106383.db2.gz KXTUHTSRTRMZCV-OIISXLGYSA-N 1 3 305.466 2.443 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000357970633 133112927 /nfs/dbraw/zinc/11/29/27/133112927.db2.gz GDAWAEMGSRTLSC-JKSUJKDBSA-N 1 3 312.502 2.135 20 0 DEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000357970633 133112928 /nfs/dbraw/zinc/11/29/28/133112928.db2.gz GDAWAEMGSRTLSC-JKSUJKDBSA-N 1 3 312.502 2.135 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN(C)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000358207197 133128613 /nfs/dbraw/zinc/12/86/13/133128613.db2.gz LBNXNVRGLFKQON-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(Cl)cn1 ZINC000359623288 133135297 /nfs/dbraw/zinc/13/52/97/133135297.db2.gz UQQRAGUQGSGTED-CYBMUJFWSA-N 1 3 310.873 2.412 20 0 DEADHO C[C@H]1CN(C)CC[C@H]1[NH2+]CCCN1CCc2ccccc2C1 ZINC000359664051 133138017 /nfs/dbraw/zinc/13/80/17/133138017.db2.gz OQKFTXSWTOQFIQ-QFBILLFUSA-N 1 3 301.478 2.365 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)CCN1C ZINC000360260150 133171870 /nfs/dbraw/zinc/17/18/70/133171870.db2.gz CRJJKQFLMXTUCF-RHSMWYFYSA-N 1 3 318.465 2.030 20 0 DEADHO CCOCCC[N@@H+]1CC[C@@H](NCCNc2ccccn2)[C@@H](C)C1 ZINC000361882018 133197756 /nfs/dbraw/zinc/19/77/56/133197756.db2.gz YGVSDVJKMLUBAG-DLBZAZTESA-N 1 3 320.481 2.220 20 0 DEADHO CCOCCC[N@H+]1CC[C@@H](NCCNc2ccccn2)[C@@H](C)C1 ZINC000361882018 133197757 /nfs/dbraw/zinc/19/77/57/133197757.db2.gz YGVSDVJKMLUBAG-DLBZAZTESA-N 1 3 320.481 2.220 20 0 DEADHO CC(C)CCOCCN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000362703013 133246676 /nfs/dbraw/zinc/24/66/76/133246676.db2.gz OTUURAPHZOIZSU-MSOLQXFVSA-N 1 3 311.514 2.007 20 0 DEADHO C[NH+](C)CCCOc1cccc(NC(=O)[C@H]2CCCCCN2)c1 ZINC000376334747 133290991 /nfs/dbraw/zinc/29/09/91/133290991.db2.gz QRRXBSCQUNGYFX-QGZVFWFLSA-N 1 3 319.449 2.488 20 0 DEADHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1CN(C)C ZINC000373021332 133374458 /nfs/dbraw/zinc/37/44/58/133374458.db2.gz DLUJAZSVLYCICJ-GDBMZVCRSA-N 1 3 301.434 2.057 20 0 DEADHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1CN(C)C ZINC000373021332 133374459 /nfs/dbraw/zinc/37/44/59/133374459.db2.gz DLUJAZSVLYCICJ-GDBMZVCRSA-N 1 3 301.434 2.057 20 0 DEADHO C[C@H]([NH2+]CCC(=O)Nc1cccc(F)c1)C1=CCN(C)CC1 ZINC000563014462 292024562 /nfs/dbraw/zinc/02/45/62/292024562.db2.gz WPEXQHOLFDYQQT-ZDUSSCGKSA-N 1 3 305.397 2.394 20 0 DEADHO C[C@@H](C(=O)N(C)CCC1CCN(c2ccncc2)CC1)[C@H](C)[NH3+] ZINC000563208466 292039317 /nfs/dbraw/zinc/03/93/17/292039317.db2.gz YFIYPZYVKVOVAO-CABCVRRESA-N 1 3 318.465 2.130 20 0 DEADHO Cc1ccc(C(=O)NCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000261754741 292072094 /nfs/dbraw/zinc/07/20/94/292072094.db2.gz PJCQGVJYTPWLAV-KURKYZTESA-N 1 3 315.461 2.235 20 0 DEADHO C[C@H]1CN(C(=O)c2ccc(Nc3ccncc3)cc2)[C@@H](C)C[NH2+]1 ZINC000356374882 404482651 /nfs/dbraw/zinc/48/26/51/404482651.db2.gz SVNSHGCNTFGAKZ-KBPBESRZSA-N 1 3 310.401 2.070 20 0 DEADHO C[NH+](C)[C@H](CNC(=O)C(C)(C)[C@H](N)c1ccccc1)C1CC1 ZINC000564936326 292122183 /nfs/dbraw/zinc/12/21/83/292122183.db2.gz JETGDGKDIZKIMZ-HZPDHXFCSA-N 1 3 303.450 2.169 20 0 DEADHO O=C(Nc1cccc(F)c1)C1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000261914570 145241350 /nfs/dbraw/zinc/24/13/50/145241350.db2.gz JPUNSCZRJGWVRH-AWEZNQCLSA-N 1 3 319.424 2.476 20 0 DEADHO Fc1ccc2oc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)cc2c1 ZINC000262120527 145264080 /nfs/dbraw/zinc/26/40/80/145264080.db2.gz MBHXZYDDEZXWMT-OAHLLOKOSA-N 1 3 303.381 2.051 20 0 DEADHO NC1(C[NH2+]CCOc2cc(F)cc(Br)c2)CCC1 ZINC000262132621 145264635 /nfs/dbraw/zinc/26/46/35/145264635.db2.gz OFDZKRBVMSEDIJ-UHFFFAOYSA-N 1 3 317.202 2.438 20 0 DEADHO [NH3+]CC1CCN(Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000262141959 145265369 /nfs/dbraw/zinc/26/53/69/145265369.db2.gz PURYMZYIKVEZNH-SFHVURJKSA-N 1 3 304.434 2.415 20 0 DEADHO C[C@@H]1C[C@@H](N(C)C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CCN1C ZINC000262377987 145279807 /nfs/dbraw/zinc/27/98/07/145279807.db2.gz XNDOJVXNNDWLAX-GMZPSASASA-N 1 3 307.482 2.081 20 0 DEADHO CC(C)Cc1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262473149 145286225 /nfs/dbraw/zinc/28/62/25/145286225.db2.gz JJLRANDKAFFVJE-LJQANCHMSA-N 1 3 301.478 2.365 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000262656658 145298461 /nfs/dbraw/zinc/29/84/61/145298461.db2.gz USBBVNYFOVILAI-UAGQMJEPSA-N 1 3 307.482 2.097 20 0 DEADHO OC[C@H](Cc1ccccc1)N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000318237333 145367592 /nfs/dbraw/zinc/36/75/92/145367592.db2.gz YVZAKXNICZGWLD-WJFTUGDTSA-N 1 3 302.462 2.490 20 0 DEADHO Cc1nn(-c2ccccc2)c(C)c1CNCCOCC[NH+](C)C ZINC000323083905 145379377 /nfs/dbraw/zinc/37/93/77/145379377.db2.gz QNHPVVUSBBAFQG-UHFFFAOYSA-N 1 3 316.449 2.157 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCC3(C)C)CC2)CC1 ZINC000565197420 292145105 /nfs/dbraw/zinc/14/51/05/292145105.db2.gz PRCNMDYMASIJDJ-QGZVFWFLSA-N 1 3 321.509 2.488 20 0 DEADHO [NH3+]CCCOC1CCN(Cc2c[nH]nc2-c2cccs2)CC1 ZINC000346647246 146117113 /nfs/dbraw/zinc/11/71/13/146117113.db2.gz FVWZSORTTGZDSO-UHFFFAOYSA-N 1 3 320.462 2.468 20 0 DEADHO C[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000348168741 146227062 /nfs/dbraw/zinc/22/70/62/146227062.db2.gz MWMYRCLAMOZRHT-UIBIWLFHSA-N 1 3 321.509 2.438 20 0 DEADHO C[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000348168741 146227064 /nfs/dbraw/zinc/22/70/64/146227064.db2.gz MWMYRCLAMOZRHT-UIBIWLFHSA-N 1 3 321.509 2.438 20 0 DEADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357105184 147042634 /nfs/dbraw/zinc/04/26/34/147042634.db2.gz NKUSSAGCWRLIFI-RYQLBKOJSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](CN(C)C)NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000358511971 147147917 /nfs/dbraw/zinc/14/79/17/147147917.db2.gz XVQKTSHIVDAHRB-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO [NH3+]C[C@H](C(=O)Nc1ccc2c(c1)CNCC2)c1ccc(F)cc1 ZINC000358741909 147194722 /nfs/dbraw/zinc/19/47/22/147194722.db2.gz DVOKHKJCMXLTEV-KRWDZBQOSA-N 1 3 313.376 2.152 20 0 DEADHO CC[N@H+](CCC1CCN([C@H]2CCN(C)C2=O)CC1)CC(C)C ZINC000358748764 147196155 /nfs/dbraw/zinc/19/61/55/147196155.db2.gz XQFCLLUJPQGEGN-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@@H+](CCC1CCN([C@H]2CCN(C)C2=O)CC1)CC(C)C ZINC000358748764 147196157 /nfs/dbraw/zinc/19/61/57/147196157.db2.gz XQFCLLUJPQGEGN-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO COc1cccc([C@H](C[NH2+][C@@H]2CCN(C)C[C@H]2C)N(C)C)c1 ZINC000359381192 147318313 /nfs/dbraw/zinc/31/83/13/147318313.db2.gz PRRBHNNRSIAVEH-OLMNPRSZSA-N 1 3 305.466 2.228 20 0 DEADHO COc1cccc([C@H](CN[C@@H]2CC[N@H+](C)C[C@H]2C)N(C)C)c1 ZINC000359381192 147318315 /nfs/dbraw/zinc/31/83/15/147318315.db2.gz PRRBHNNRSIAVEH-OLMNPRSZSA-N 1 3 305.466 2.228 20 0 DEADHO COc1cccc([C@H](CN[C@@H]2CC[N@@H+](C)C[C@H]2C)N(C)C)c1 ZINC000359381192 147318316 /nfs/dbraw/zinc/31/83/16/147318316.db2.gz PRRBHNNRSIAVEH-OLMNPRSZSA-N 1 3 305.466 2.228 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCN(C)[C@@H](C)C2)[C@@H](C)C1 ZINC000248123398 286063620 /nfs/dbraw/zinc/06/36/20/286063620.db2.gz NPTCEKTZVJBGRS-FJIDUMEYSA-N 1 3 311.514 2.196 20 0 DEADHO CCNC(=O)C1(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CCC1 ZINC000566088876 292204003 /nfs/dbraw/zinc/20/40/03/292204003.db2.gz FNUZFQLEPLOKRH-ARFHVFGLSA-N 1 3 307.482 2.193 20 0 DEADHO COc1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000127654876 401743900 /nfs/dbraw/zinc/74/39/00/401743900.db2.gz MPCSRDHXAWUVLZ-JKSUJKDBSA-N 1 3 304.434 2.463 20 0 DEADHO COc1ccc(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000127654876 401743901 /nfs/dbraw/zinc/74/39/01/401743901.db2.gz MPCSRDHXAWUVLZ-JKSUJKDBSA-N 1 3 304.434 2.463 20 0 DEADHO CCN1CC[C@@H]([NH2+]Cc2ccc(-n3ccnc3C)nc2)[C@H](C)C1 ZINC000126350050 401690072 /nfs/dbraw/zinc/69/00/72/401690072.db2.gz DYHRQWSMGVPVRA-RHSMWYFYSA-N 1 3 313.449 2.396 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC1CCN(C2CC2)CC1 ZINC000113406351 401778680 /nfs/dbraw/zinc/77/86/80/401778680.db2.gz UPYXRUGPJUONFC-MRXNPFEDSA-N 1 3 322.497 2.177 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC1CCN(C2CC2)CC1 ZINC000113406351 401778684 /nfs/dbraw/zinc/77/86/84/401778684.db2.gz UPYXRUGPJUONFC-MRXNPFEDSA-N 1 3 322.497 2.177 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000113901536 401786959 /nfs/dbraw/zinc/78/69/59/401786959.db2.gz DVNCZGNVLLEONE-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000113901536 401786961 /nfs/dbraw/zinc/78/69/61/401786961.db2.gz DVNCZGNVLLEONE-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN1CCN(c2ccccc2C[N@H+](C)C[C@H](C)O)CC1 ZINC000130780249 401838456 /nfs/dbraw/zinc/83/84/56/401838456.db2.gz DYLNENNTBFUQMT-INIZCTEOSA-N 1 3 305.466 2.031 20 0 DEADHO CCCN1CCN(c2ccccc2C[N@@H+](C)C[C@H](C)O)CC1 ZINC000130780249 401838459 /nfs/dbraw/zinc/83/84/59/401838459.db2.gz DYLNENNTBFUQMT-INIZCTEOSA-N 1 3 305.466 2.031 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CN1C1CC1 ZINC000119177632 401931016 /nfs/dbraw/zinc/93/10/16/401931016.db2.gz VLVDLQJHLHGMNK-OLZOCXBDSA-N 1 3 322.497 2.220 20 0 DEADHO CN(CCC[N@H+](C)[C@@H](CO)C(C)(C)C)[C@@H](CO)C(C)(C)C ZINC000118970118 401915676 /nfs/dbraw/zinc/91/56/76/401915676.db2.gz BYJYQZXDOFZXGT-GJZGRUSLSA-N 1 3 302.503 2.054 20 0 DEADHO CN(CCC[N@@H+](C)[C@@H](CO)C(C)(C)C)[C@@H](CO)C(C)(C)C ZINC000118970118 401915679 /nfs/dbraw/zinc/91/56/79/401915679.db2.gz BYJYQZXDOFZXGT-GJZGRUSLSA-N 1 3 302.503 2.054 20 0 DEADHO CCCN1CC[C@@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000151101369 402015781 /nfs/dbraw/zinc/01/57/81/402015781.db2.gz IJJQQZHFORWESR-ZDUSSCGKSA-N 1 3 307.404 2.335 20 0 DEADHO C[C@@H]1Cc2ccc(F)cc2[C@H]1NCCC[NH+]1CCC(O)CC1 ZINC000151382060 402033384 /nfs/dbraw/zinc/03/33/84/402033384.db2.gz KQIIELAGPANANU-ACJLOTCBSA-N 1 3 306.425 2.495 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)NCC[N@@H+](C)CC)N(C)C)cc1 ZINC000120741963 402000236 /nfs/dbraw/zinc/00/02/36/402000236.db2.gz VHSWNWUVUORXHO-QGZVFWFLSA-N 1 3 320.481 2.103 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)NCC[N@H+](C)CC)N(C)C)cc1 ZINC000120741963 402000240 /nfs/dbraw/zinc/00/02/40/402000240.db2.gz VHSWNWUVUORXHO-QGZVFWFLSA-N 1 3 320.481 2.103 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]C[C@@H]2CCN(C3CC3)C2)[C@H](C)C1 ZINC000152412518 402095222 /nfs/dbraw/zinc/09/52/22/402095222.db2.gz GRYBMHXPPACMBD-ZIFCJYIRSA-N 1 3 323.525 2.197 20 0 DEADHO CN(C)Cc1ccc(C(=O)N(C)CC2CC[NH+](C)CC2)cc1 ZINC000103450997 402189062 /nfs/dbraw/zinc/18/90/62/402189062.db2.gz JUGLMYPXKOIQSG-UHFFFAOYSA-N 1 3 303.450 2.162 20 0 DEADHO CC(C)(C)[NH2+]CCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000104116454 402198340 /nfs/dbraw/zinc/19/83/40/402198340.db2.gz JPLJSZHVUXEPDV-UHFFFAOYSA-N 1 3 303.450 2.400 20 0 DEADHO C[N@H+](CCC1OCCO1)CCC1CCN(c2ccncc2)CC1 ZINC000125325527 402225778 /nfs/dbraw/zinc/22/57/78/402225778.db2.gz QDQLTFPBYBRIRX-UHFFFAOYSA-N 1 3 319.449 2.383 20 0 DEADHO C[N@@H+](CCC1OCCO1)CCC1CCN(c2ccncc2)CC1 ZINC000125325527 402225780 /nfs/dbraw/zinc/22/57/80/402225780.db2.gz QDQLTFPBYBRIRX-UHFFFAOYSA-N 1 3 319.449 2.383 20 0 DEADHO Cc1cc(NC(=O)C2CC[NH+](CC[C@H]3CCCN3C)CC2)no1 ZINC000125783890 402250259 /nfs/dbraw/zinc/25/02/59/402250259.db2.gz PSFRYNPPQQPODO-OAHLLOKOSA-N 1 3 320.437 2.118 20 0 DEADHO CN(CCN1CC[NH2+]CC1)Cc1cccc(C(F)(F)F)c1 ZINC000071148734 402270661 /nfs/dbraw/zinc/27/06/61/402270661.db2.gz AONQXNFJAZATEV-UHFFFAOYSA-N 1 3 301.356 2.042 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000157580085 402296595 /nfs/dbraw/zinc/29/65/95/402296595.db2.gz SSNFFPRVYMBANE-HOTGVXAUSA-N 1 3 312.502 2.088 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000157580085 402296598 /nfs/dbraw/zinc/29/65/98/402296598.db2.gz SSNFFPRVYMBANE-HOTGVXAUSA-N 1 3 312.502 2.088 20 0 DEADHO CCN(CCNC(=O)N[C@H](C)C[NH+]1CCCCCC1)C1CC1 ZINC000185330231 402343790 /nfs/dbraw/zinc/34/37/90/402343790.db2.gz JQYKAALJHHUWAY-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO CC(C)C[C@H]([NH3+])C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000236731974 402378901 /nfs/dbraw/zinc/37/89/01/402378901.db2.gz YJWAYEUBFNJMLG-XIRDDKMYSA-N 1 3 303.450 2.139 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)C1 ZINC000176660084 402326762 /nfs/dbraw/zinc/32/67/62/402326762.db2.gz PPEGXEXWUXMXMJ-YESZJQIVSA-N 1 3 324.513 2.233 20 0 DEADHO FC(F)(F)CN1CC[C@H](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000226828373 402329978 /nfs/dbraw/zinc/32/99/78/402329978.db2.gz OHUWNWITXRRIQU-MGPQQGTHSA-N 1 3 305.388 2.087 20 0 DEADHO FC(F)(F)CN1CC[C@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000226828373 402329979 /nfs/dbraw/zinc/32/99/79/402329979.db2.gz OHUWNWITXRRIQU-MGPQQGTHSA-N 1 3 305.388 2.087 20 0 DEADHO CC(C)O[C@H]1C[C@@H]([NH2+]C2CCN(CCN(C)C)CC2)C1(C)C ZINC000185195733 402332827 /nfs/dbraw/zinc/33/28/27/402332827.db2.gz VVGTZARMZPTAFP-SJORKVTESA-N 1 3 311.514 2.194 20 0 DEADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccnc(Cl)c1 ZINC000177384843 402396837 /nfs/dbraw/zinc/39/68/37/402396837.db2.gz DJTAKILDGDDVQV-UHFFFAOYSA-N 1 3 310.873 2.193 20 0 DEADHO C[NH2+]C[C@H](C)CNC(=O)c1oc2ccccc2c1CN(C)C ZINC000237202738 402399456 /nfs/dbraw/zinc/39/94/56/402399456.db2.gz LCHKAYPDXCGXKI-LBPRGKRZSA-N 1 3 303.406 2.080 20 0 DEADHO C[C@H](CNC(=O)C[C@H](N)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000237566575 402413395 /nfs/dbraw/zinc/41/33/95/402413395.db2.gz QEHKRWAYYBTQTN-INMHGKMJSA-N 1 3 303.450 2.313 20 0 DEADHO C[C@H](CNC(=O)C[C@H](N)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000237566575 402413399 /nfs/dbraw/zinc/41/33/99/402413399.db2.gz QEHKRWAYYBTQTN-INMHGKMJSA-N 1 3 303.450 2.313 20 0 DEADHO C[C@@H](NC(=O)[C@@H](C)[C@@H](N)c1ccccc1)C(C)(C)C[NH+](C)C ZINC000237651648 402417180 /nfs/dbraw/zinc/41/71/80/402417180.db2.gz LVURFIHPWXXFMQ-SQWLQELKSA-N 1 3 305.466 2.415 20 0 DEADHO C[C@H](CC(=O)NC[C@@H](c1ccccc1)N(C)C)C1CC[NH2+]CC1 ZINC000237654000 402417359 /nfs/dbraw/zinc/41/73/59/402417359.db2.gz JPQAPFGUXPDKGP-QAPCUYQASA-N 1 3 317.477 2.431 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)C1 ZINC000245201977 402452163 /nfs/dbraw/zinc/45/21/63/402452163.db2.gz NWWXTFLARRRTGZ-YYIAUSFCSA-N 1 3 309.498 2.484 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)C1 ZINC000245201977 402452166 /nfs/dbraw/zinc/45/21/66/402452166.db2.gz NWWXTFLARRRTGZ-YYIAUSFCSA-N 1 3 309.498 2.484 20 0 DEADHO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H](N)C(C)C)cc1 ZINC000164812079 402468880 /nfs/dbraw/zinc/46/88/80/402468880.db2.gz UKQOUFYEXVGXHW-QGZVFWFLSA-N 1 3 321.465 2.007 20 0 DEADHO CC(C)[C@@H](N)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000165914759 402479707 /nfs/dbraw/zinc/47/97/07/402479707.db2.gz SAOPCZFNKHFZLI-CQSZACIVSA-N 1 3 313.829 2.202 20 0 DEADHO CN1CCC(Nc2ccccc2NC(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000166852132 402487877 /nfs/dbraw/zinc/48/78/77/402487877.db2.gz SZNCDVGAWPKIIE-CQSZACIVSA-N 1 3 316.449 2.131 20 0 DEADHO CC[C@H]([NH3+])C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000167845080 402494148 /nfs/dbraw/zinc/49/41/48/402494148.db2.gz XJMKQDFRIJTFKF-INIZCTEOSA-N 1 3 323.868 2.406 20 0 DEADHO Cc1ccc(NC(=O)CC2CC[NH2+]CC2)c(OCCN(C)C)c1 ZINC000169088366 402500028 /nfs/dbraw/zinc/50/00/28/402500028.db2.gz VBLGVMKGRANCCX-UHFFFAOYSA-N 1 3 319.449 2.264 20 0 DEADHO CCOC[C@H](O)CN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000246079692 402508169 /nfs/dbraw/zinc/50/81/69/402508169.db2.gz TXDOSEOFDYMBOB-SJLPKXTDSA-N 1 3 312.498 2.360 20 0 DEADHO CCOC[C@H](O)CN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000246079692 402508171 /nfs/dbraw/zinc/50/81/71/402508171.db2.gz TXDOSEOFDYMBOB-SJLPKXTDSA-N 1 3 312.498 2.360 20 0 DEADHO CN(C)Cc1cccc(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000170993823 402548231 /nfs/dbraw/zinc/54/82/31/402548231.db2.gz IJLIWVWNBFZDRB-HNNXBMFYSA-N 1 3 304.438 2.212 20 0 DEADHO CN(C)Cc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000170993823 402548233 /nfs/dbraw/zinc/54/82/33/402548233.db2.gz IJLIWVWNBFZDRB-HNNXBMFYSA-N 1 3 304.438 2.212 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)N2CCCCCC2)C1 ZINC000246937051 402550305 /nfs/dbraw/zinc/55/03/05/402550305.db2.gz KMVXOBPXQLDBBN-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)N2CCCCCC2)C1 ZINC000246937051 402550307 /nfs/dbraw/zinc/55/03/07/402550307.db2.gz KMVXOBPXQLDBBN-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO C(CN(C[C@H]1CCOC1)C1CC1)C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000247102919 402556695 /nfs/dbraw/zinc/55/66/95/402556695.db2.gz VFRFBCMRNZQCDV-CALCHBBNSA-N 1 3 322.493 2.378 20 0 DEADHO C(CN(C[C@H]1CCOC1)C1CC1)C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000247102919 402556697 /nfs/dbraw/zinc/55/66/97/402556697.db2.gz VFRFBCMRNZQCDV-CALCHBBNSA-N 1 3 322.493 2.378 20 0 DEADHO C(CN(C[C@@H]1CCOC1)C1CC1)C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000247102919 402556700 /nfs/dbraw/zinc/55/67/00/402556700.db2.gz VFRFBCMRNZQCDV-CALCHBBNSA-N 1 3 322.493 2.378 20 0 DEADHO C(CN(C[C@@H]1CCOC1)C1CC1)C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000247102919 402556702 /nfs/dbraw/zinc/55/67/02/402556702.db2.gz VFRFBCMRNZQCDV-CALCHBBNSA-N 1 3 322.493 2.378 20 0 DEADHO C[C@H](C(=O)NCC[C@H](C)[NH3+])N1CCC(Cc2ccccc2)CC1 ZINC000178656186 402522409 /nfs/dbraw/zinc/52/24/09/402522409.db2.gz ZINGLLDFMPFYSP-JKSUJKDBSA-N 1 3 317.477 2.183 20 0 DEADHO C[C@@H](C(=O)NC1CC[NH+](CC2CC2)CC1)[C@H](N)c1ccccc1 ZINC000178707631 402528646 /nfs/dbraw/zinc/52/86/46/402528646.db2.gz NSSULHKNKXVNDR-KDOFPFPSSA-N 1 3 315.461 2.313 20 0 DEADHO CN1CCC[C@H](C[N@H+](C)C[C@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000246566205 402537165 /nfs/dbraw/zinc/53/71/65/402537165.db2.gz DSNVOCYCNQPIGC-RDJZCZTQSA-N 1 3 317.433 2.285 20 0 DEADHO CN1CCC[C@H](C[N@@H+](C)C[C@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000246566205 402537167 /nfs/dbraw/zinc/53/71/67/402537167.db2.gz DSNVOCYCNQPIGC-RDJZCZTQSA-N 1 3 317.433 2.285 20 0 DEADHO C[C@H]1CN(CCCC[NH2+]Cc2cn3ccccc3n2)C[C@H](C)O1 ZINC000171381499 402582778 /nfs/dbraw/zinc/58/27/78/402582778.db2.gz UZBCFYHCYVKOQG-HOTGVXAUSA-N 1 3 316.449 2.313 20 0 DEADHO CCN(CCC[NH+](C)C)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000248726144 402605364 /nfs/dbraw/zinc/60/53/64/402605364.db2.gz URUJPNGHZKPPRF-HZPDHXFCSA-N 1 3 312.502 2.090 20 0 DEADHO C[C@@H]1CCN(C(=O)C[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000249540647 402633713 /nfs/dbraw/zinc/63/37/13/402633713.db2.gz DURJPDXFNQBATC-SJLPKXTDSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@@H]([NH3+])[C@@H](C)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000192103243 402711426 /nfs/dbraw/zinc/71/14/26/402711426.db2.gz JLUCBXHELLHZPW-CHWSQXEVSA-N 1 3 309.479 2.060 20 0 DEADHO COc1cc2c(cc1OC)CN(C[C@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC000262532341 286258996 /nfs/dbraw/zinc/25/89/96/286258996.db2.gz PUILOSDWIYYSDF-KBPBESRZSA-N 1 3 304.434 2.450 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H](N)Cc1ccccc1 ZINC000262637090 402728606 /nfs/dbraw/zinc/72/86/06/402728606.db2.gz IEATWIPEDCYGKM-FUHWJXTLSA-N 1 3 317.477 2.327 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H](N)Cc1ccccc1 ZINC000262637090 402728609 /nfs/dbraw/zinc/72/86/09/402728609.db2.gz IEATWIPEDCYGKM-FUHWJXTLSA-N 1 3 317.477 2.327 20 0 DEADHO CSCC[C@@H](N)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000262766458 402730404 /nfs/dbraw/zinc/73/04/04/402730404.db2.gz HLPMIFZALRNQRU-CVEARBPZSA-N 1 3 317.458 2.036 20 0 DEADHO C[C@@H]1CN(CC2CC[NH+](CCCn3ccnc3)CC2)C[C@@H](C)O1 ZINC000183171328 402744496 /nfs/dbraw/zinc/74/44/96/402744496.db2.gz DTYDNKARYXZMEM-IAGOWNOFSA-N 1 3 320.481 2.094 20 0 DEADHO OC1CCN(Cc2ccc(C[NH2+]CC3=CCCOC3)cc2)CC1 ZINC000175666196 402824540 /nfs/dbraw/zinc/82/45/40/402824540.db2.gz XYNVSEPJFBGOOW-UHFFFAOYSA-N 1 3 316.445 2.080 20 0 DEADHO CN(Cc1ccccc1C[N@H+](C)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000264374579 402872426 /nfs/dbraw/zinc/87/24/26/402872426.db2.gz AYHVAQRRXIMPRV-ROUUACIJSA-N 1 3 304.434 2.128 20 0 DEADHO CN(Cc1ccccc1C[N@@H+](C)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000264374579 402872428 /nfs/dbraw/zinc/87/24/28/402872428.db2.gz AYHVAQRRXIMPRV-ROUUACIJSA-N 1 3 304.434 2.128 20 0 DEADHO CSc1ccccc1C[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000272811697 402960767 /nfs/dbraw/zinc/96/07/67/402960767.db2.gz DEGGTZBFYUTAHB-AWEZNQCLSA-N 1 3 308.491 2.386 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000272314110 402922276 /nfs/dbraw/zinc/92/22/76/402922276.db2.gz SGHASCZIEBSLIM-RYQLBKOJSA-N 1 3 317.477 2.353 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000272314110 402922279 /nfs/dbraw/zinc/92/22/79/402922279.db2.gz SGHASCZIEBSLIM-RYQLBKOJSA-N 1 3 317.477 2.353 20 0 DEADHO C[C@H](CC(=O)N(C)C)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272391291 402931611 /nfs/dbraw/zinc/93/16/11/402931611.db2.gz XZJVCDKOROFOTP-SOLBZPMBSA-N 1 3 317.477 2.353 20 0 DEADHO C[C@H](CC(=O)N(C)C)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272391291 402931612 /nfs/dbraw/zinc/93/16/12/402931612.db2.gz XZJVCDKOROFOTP-SOLBZPMBSA-N 1 3 317.477 2.353 20 0 DEADHO CN(CCCNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)Cc1ccccc1 ZINC000280774882 403035552 /nfs/dbraw/zinc/03/55/52/403035552.db2.gz HPPGYRQTQUDOAR-IEBWSBKVSA-N 1 3 315.461 2.014 20 0 DEADHO Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CC2(O)CCN(C)CC2)C1 ZINC000281674137 403080588 /nfs/dbraw/zinc/08/05/88/403080588.db2.gz RAMKRCPGPHBBKC-DLBZAZTESA-N 1 3 317.477 2.463 20 0 DEADHO CCN1CC[C@@H]([NH2+]Cc2cccc(C(=O)NC3CC3)c2)[C@@H](C)C1 ZINC000268788656 403113974 /nfs/dbraw/zinc/11/39/74/403113974.db2.gz BAIHSSNDEANJGV-KBXCAEBGSA-N 1 3 315.461 2.399 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCNC(=O)c1ccc(Cl)cc1 ZINC000268791207 403114070 /nfs/dbraw/zinc/11/40/70/403114070.db2.gz BXBNPEHMCDVFMD-XJKCOSOUSA-N 1 3 323.868 2.388 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCNC(=O)c1ccc(Cl)cc1 ZINC000268791207 403114072 /nfs/dbraw/zinc/11/40/72/403114072.db2.gz BXBNPEHMCDVFMD-XJKCOSOUSA-N 1 3 323.868 2.388 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276261146 403158407 /nfs/dbraw/zinc/15/84/07/403158407.db2.gz OUFVDJLAXZRIHZ-SFHVURJKSA-N 1 3 317.477 2.281 20 0 DEADHO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000277451384 403219235 /nfs/dbraw/zinc/21/92/35/403219235.db2.gz GNJIFMSXRLSNCE-CRAIPNDOSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)c1cn[nH]c1 ZINC000284199517 403253319 /nfs/dbraw/zinc/25/33/19/403253319.db2.gz SASKCHCCWTXLLV-AWEZNQCLSA-N 1 3 302.422 2.243 20 0 DEADHO CN(C)C1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)Cc2ccccc2C1 ZINC000339071017 403343170 /nfs/dbraw/zinc/34/31/70/403343170.db2.gz OPXRHXGOTRSAMX-RBUKOAKNSA-N 1 3 313.489 2.302 20 0 DEADHO CN(C)C1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)Cc2ccccc2C1 ZINC000339071017 403343175 /nfs/dbraw/zinc/34/31/75/403343175.db2.gz OPXRHXGOTRSAMX-RBUKOAKNSA-N 1 3 313.489 2.302 20 0 DEADHO CCC1CC([NH2+][C@@H](Cc2ccccc2)C(=O)NCCN(C)C)C1 ZINC000342720446 403320735 /nfs/dbraw/zinc/32/07/35/403320735.db2.gz BTBPRSWGFHKCQP-VJFUWPCTSA-N 1 3 317.477 2.054 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@H]1C)N(C)Cc1ccccc1 ZINC000342731227 403325810 /nfs/dbraw/zinc/32/58/10/403325810.db2.gz KCDZGPRNICMHSE-HLLBOEOZSA-N 1 3 303.450 2.011 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CCC[NH2+][C@H]1C)N(C)Cc1ccccc1 ZINC000342731228 403325866 /nfs/dbraw/zinc/32/58/66/403325866.db2.gz KCDZGPRNICMHSE-VYDXJSESSA-N 1 3 303.450 2.011 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000342766423 403341508 /nfs/dbraw/zinc/34/15/08/403341508.db2.gz UQZTUZHKBLUYNS-ONIAQPFYSA-N 1 3 315.461 2.326 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)N1CCCN(C)CC1)CC(C)C ZINC000339625036 403397330 /nfs/dbraw/zinc/39/73/30/403397330.db2.gz FJFMWGIZFUHXKN-INIZCTEOSA-N 1 3 312.502 2.090 20 0 DEADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2cc(C)ccn2)CC1 ZINC000285879390 403401497 /nfs/dbraw/zinc/40/14/97/403401497.db2.gz ZKPSBQOHWVAAFC-KRWDZBQOSA-N 1 3 304.482 2.458 20 0 DEADHO CC[NH+](CC)CCO[C@@H]1CCN(CCc2c(C)noc2C)C1 ZINC000339666286 403409802 /nfs/dbraw/zinc/40/98/02/403409802.db2.gz SXEMHSPMBKQHHM-MRXNPFEDSA-N 1 3 309.454 2.267 20 0 DEADHO CC[NH+](CC)CCOc1ccccc1CN[C@H](C)CC(=O)NC ZINC000298567549 403415840 /nfs/dbraw/zinc/41/58/40/403415840.db2.gz NNAZNWKNEILUEE-OAHLLOKOSA-N 1 3 321.465 2.021 20 0 DEADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000285976370 403422408 /nfs/dbraw/zinc/42/24/08/403422408.db2.gz HNMOMVJUVQFPNZ-IIDMSEBBSA-N 1 3 315.461 2.399 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2CC(C)(C)[C@H]3CCC[C@@H]32)CC1 ZINC000339715255 403427315 /nfs/dbraw/zinc/42/73/15/403427315.db2.gz CGPYQRQEZJHRQK-IRXDYDNUSA-N 1 3 321.509 2.486 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000339738312 403434371 /nfs/dbraw/zinc/43/43/71/403434371.db2.gz CTHSDYOMRWQWQY-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](N)CC(F)F ZINC000345687205 403436919 /nfs/dbraw/zinc/43/69/19/403436919.db2.gz GZCQDNKKTZUHGO-AWEZNQCLSA-N 1 3 313.392 2.126 20 0 DEADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](N)CC(F)F ZINC000345687205 403436923 /nfs/dbraw/zinc/43/69/23/403436923.db2.gz GZCQDNKKTZUHGO-AWEZNQCLSA-N 1 3 313.392 2.126 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCN(CC)C1CC1 ZINC000343056219 403446514 /nfs/dbraw/zinc/44/65/14/403446514.db2.gz VZFJKUBZJIOUCX-QGZVFWFLSA-N 1 3 324.513 2.425 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCCN(CC)C1CC1 ZINC000343056219 403446517 /nfs/dbraw/zinc/44/65/17/403446517.db2.gz VZFJKUBZJIOUCX-QGZVFWFLSA-N 1 3 324.513 2.425 20 0 DEADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H]1CCCN(C)[C@H]1C)CC2 ZINC000345759846 403471910 /nfs/dbraw/zinc/47/19/10/403471910.db2.gz UJGGXNIJAHOPED-VVLHAWIVSA-N 1 3 322.497 2.126 20 0 DEADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H]1CCCN(C)[C@H]1C)CC2 ZINC000345759846 403471913 /nfs/dbraw/zinc/47/19/13/403471913.db2.gz UJGGXNIJAHOPED-VVLHAWIVSA-N 1 3 322.497 2.126 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCCN1CCCCC1 ZINC000343159177 403481299 /nfs/dbraw/zinc/48/12/99/403481299.db2.gz OEIYVHRCFPWEBY-KRWDZBQOSA-N 1 3 324.513 2.426 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCCN1CCCCC1 ZINC000343159177 403481303 /nfs/dbraw/zinc/48/13/03/403481303.db2.gz OEIYVHRCFPWEBY-KRWDZBQOSA-N 1 3 324.513 2.426 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1cccc(N2CCOCC2)c1 ZINC000293605773 403516555 /nfs/dbraw/zinc/51/65/55/403516555.db2.gz DSXLIQPWCNQTHQ-GJYPPUQNSA-N 1 3 317.477 2.342 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1cccc(N2CCOCC2)c1 ZINC000293605773 403516560 /nfs/dbraw/zinc/51/65/60/403516560.db2.gz DSXLIQPWCNQTHQ-GJYPPUQNSA-N 1 3 317.477 2.342 20 0 DEADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000339988184 403517337 /nfs/dbraw/zinc/51/73/37/403517337.db2.gz QTGSANBMVTWSAA-HOTGVXAUSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCC1=CCN(C)CC1 ZINC000343468186 403603289 /nfs/dbraw/zinc/60/32/89/403603289.db2.gz DTRYBABANXWNHK-INIZCTEOSA-N 1 3 322.497 2.202 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCC1=CCN(C)CC1 ZINC000343468186 403603297 /nfs/dbraw/zinc/60/32/97/403603297.db2.gz DTRYBABANXWNHK-INIZCTEOSA-N 1 3 322.497 2.202 20 0 DEADHO C[NH+](C)Cc1cccc(CN[C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000293770391 403558837 /nfs/dbraw/zinc/55/88/37/403558837.db2.gz ZUASXFQLSOOVPY-DLBZAZTESA-N 1 3 324.490 2.194 20 0 DEADHO COCCN(C)CCC[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000340175280 403571237 /nfs/dbraw/zinc/57/12/37/403571237.db2.gz DKYFQQFGECHYPT-MOPGFXCFSA-N 1 3 319.493 2.380 20 0 DEADHO C[NH+](C)CCCOc1cnccc1CN[C@H]1CCOC1(C)C ZINC000293969700 403612670 /nfs/dbraw/zinc/61/26/70/403612670.db2.gz AQKOUDAFFGBEMF-INIZCTEOSA-N 1 3 307.438 2.069 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000340551836 403644431 /nfs/dbraw/zinc/64/44/31/403644431.db2.gz YEIWSDZNRODAJO-LZLYRXPVSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H](c2ccccc2)N(C)C)CC[N@@H+]1C ZINC000340920700 403698062 /nfs/dbraw/zinc/69/80/62/403698062.db2.gz ZOQRNNGVOJYUJW-HYVNUMGLSA-N 1 3 318.465 2.071 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H](c2ccccc2)N(C)C)CC[N@H+]1C ZINC000340920700 403698066 /nfs/dbraw/zinc/69/80/66/403698066.db2.gz ZOQRNNGVOJYUJW-HYVNUMGLSA-N 1 3 318.465 2.071 20 0 DEADHO CCN1CC[C@H]([NH2+]CC(C)(C)N2CCC(OC)CC2)[C@@H](C)C1 ZINC000347419626 403703105 /nfs/dbraw/zinc/70/31/05/403703105.db2.gz CCIHNWPIICAZQH-RDJZCZTQSA-N 1 3 311.514 2.196 20 0 DEADHO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H]1C[C@@H](N)c3ccccc31)CC2 ZINC000333242177 403704258 /nfs/dbraw/zinc/70/42/58/403704258.db2.gz FCGSBIAYFQXRPH-DAXOMENPSA-N 1 3 311.433 2.451 20 0 DEADHO C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccsc1 ZINC000333244121 403705163 /nfs/dbraw/zinc/70/51/63/403705163.db2.gz FJOJOPMNCGFEFI-PEYYIBSZSA-N 1 3 307.463 2.046 20 0 DEADHO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000295138464 403770709 /nfs/dbraw/zinc/77/07/09/403770709.db2.gz ZKARXDTZIRRQKF-IUODEOHRSA-N 1 3 303.406 2.015 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)CNC2 ZINC000347496986 403730920 /nfs/dbraw/zinc/73/09/20/403730920.db2.gz HYROFRCSZCNGSC-QGZVFWFLSA-N 1 3 301.434 2.140 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)CNC2 ZINC000347496986 403730925 /nfs/dbraw/zinc/73/09/25/403730925.db2.gz HYROFRCSZCNGSC-QGZVFWFLSA-N 1 3 301.434 2.140 20 0 DEADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000351637483 403820787 /nfs/dbraw/zinc/82/07/87/403820787.db2.gz VNSQJXITCCCAJC-CVEARBPZSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)Nc2cccc(CN(C)C)c2)CC[N@@H+]1C ZINC000341202541 403829065 /nfs/dbraw/zinc/82/90/65/403829065.db2.gz MWAQKEZZNGQJEO-CJNGLKHVSA-N 1 3 304.438 2.352 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)Nc2cccc(CN(C)C)c2)CC[N@H+]1C ZINC000341202541 403829072 /nfs/dbraw/zinc/82/90/72/403829072.db2.gz MWAQKEZZNGQJEO-CJNGLKHVSA-N 1 3 304.438 2.352 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)cc1 ZINC000368706236 403831672 /nfs/dbraw/zinc/83/16/72/403831672.db2.gz CXLAQYJTBFCIMV-UHFFFAOYSA-N 1 3 315.461 2.449 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CCC3(CCC[N@H+]3C)CC2)cc1 ZINC000368706236 403831678 /nfs/dbraw/zinc/83/16/78/403831678.db2.gz CXLAQYJTBFCIMV-UHFFFAOYSA-N 1 3 315.461 2.449 20 0 DEADHO CCN1CCC(NC(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000361747133 403838953 /nfs/dbraw/zinc/83/89/53/403838953.db2.gz BBMMSLLPNKHDQN-UHFFFAOYSA-N 1 3 322.497 2.177 20 0 DEADHO OCCCSCCNC1CC[NH+](C2CCCCC2)CC1 ZINC000305122729 403841844 /nfs/dbraw/zinc/84/18/44/403841844.db2.gz KCITUCBLDSWCGV-UHFFFAOYSA-N 1 3 300.512 2.489 20 0 DEADHO OCCCSCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000305122729 403841848 /nfs/dbraw/zinc/84/18/48/403841848.db2.gz KCITUCBLDSWCGV-UHFFFAOYSA-N 1 3 300.512 2.489 20 0 DEADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2cncs2)[C@H](C)C1 ZINC000411550723 403891519 /nfs/dbraw/zinc/89/15/19/403891519.db2.gz LJSBYQPHQWUYJF-GDBMZVCRSA-N 1 3 311.495 2.412 20 0 DEADHO CCOCCC[N@H+]1CC[C@@H](NCCc2cncs2)[C@H](C)C1 ZINC000411550723 403891528 /nfs/dbraw/zinc/89/15/28/403891528.db2.gz LJSBYQPHQWUYJF-GDBMZVCRSA-N 1 3 311.495 2.412 20 0 DEADHO CC[C@H](C)[N@H+](C)CCNC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000351849589 403959843 /nfs/dbraw/zinc/95/98/43/403959843.db2.gz PGOUUFPTVPDPBT-LSDHHAIUSA-N 1 3 312.502 2.088 20 0 DEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000351849589 403959848 /nfs/dbraw/zinc/95/98/48/403959848.db2.gz PGOUUFPTVPDPBT-LSDHHAIUSA-N 1 3 312.502 2.088 20 0 DEADHO COc1ccccc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000289433674 403960968 /nfs/dbraw/zinc/96/09/68/403960968.db2.gz LCMIHSUGYFDHMM-UHFFFAOYSA-N 1 3 305.466 2.153 20 0 DEADHO C[C@H](O)CN(Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H](C)CO ZINC000411613094 403911506 /nfs/dbraw/zinc/91/15/06/403911506.db2.gz JBIABWOTIPWGQD-IRXDYDNUSA-N 1 3 320.477 2.236 20 0 DEADHO C[C@H](C[NH+](C)C)NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000351825924 403943286 /nfs/dbraw/zinc/94/32/86/403943286.db2.gz CASDKNINGNCSAD-BFYDXBDKSA-N 1 3 318.465 2.071 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)CC(F)F ZINC000411820503 403982489 /nfs/dbraw/zinc/98/24/89/403982489.db2.gz HIMRTCCCCJPCFR-ZIAGYGMSSA-N 1 3 319.440 2.152 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)CC(F)F ZINC000411820503 403982494 /nfs/dbraw/zinc/98/24/94/403982494.db2.gz HIMRTCCCCJPCFR-ZIAGYGMSSA-N 1 3 319.440 2.152 20 0 DEADHO CC1CCN(CCNC(=O)NCCC[NH2+]C2CCCCC2)CC1 ZINC000337388929 403989913 /nfs/dbraw/zinc/98/99/13/403989913.db2.gz YJYKURKBFVETBX-UHFFFAOYSA-N 1 3 324.513 2.330 20 0 DEADHO CC(C)[N@H+]1C[C@H](NC(=O)c2ccccc2CN(C)C)[C@@H](C)C1 ZINC000362892007 403996291 /nfs/dbraw/zinc/99/62/91/403996291.db2.gz CWTKASVASSFBPH-YOEHRIQHSA-N 1 3 303.450 2.207 20 0 DEADHO CC(C)[N@@H+]1C[C@H](NC(=O)c2ccccc2CN(C)C)[C@@H](C)C1 ZINC000362892007 403996298 /nfs/dbraw/zinc/99/62/98/403996298.db2.gz CWTKASVASSFBPH-YOEHRIQHSA-N 1 3 303.450 2.207 20 0 DEADHO CN(C)CCN(C)CCC[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000290262817 404102107 /nfs/dbraw/zinc/10/21/07/404102107.db2.gz WYAXSNDCRXCOCE-UHFFFAOYSA-N 1 3 302.466 2.483 20 0 DEADHO CN(C)CCN(C)CCC[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000290262817 404102113 /nfs/dbraw/zinc/10/21/13/404102113.db2.gz WYAXSNDCRXCOCE-UHFFFAOYSA-N 1 3 302.466 2.483 20 0 DEADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000290092728 404037593 /nfs/dbraw/zinc/03/75/93/404037593.db2.gz WYMYWWRKSNQQSM-QZTJIDSGSA-N 1 3 315.461 2.155 20 0 DEADHO CNC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000290284396 404111097 /nfs/dbraw/zinc/11/10/97/404111097.db2.gz XMYMZFODVFLVAT-WMZOPIPTSA-N 1 3 317.477 2.403 20 0 DEADHO CNC(=O)C[C@H](C)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000290284396 404111105 /nfs/dbraw/zinc/11/11/05/404111105.db2.gz XMYMZFODVFLVAT-WMZOPIPTSA-N 1 3 317.477 2.403 20 0 DEADHO CNC(=O)C[C@H](C)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290284396 404111111 /nfs/dbraw/zinc/11/11/11/404111111.db2.gz XMYMZFODVFLVAT-WMZOPIPTSA-N 1 3 317.477 2.403 20 0 DEADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N(CCN(C)C)Cc1ccccn1 ZINC000355024799 404162879 /nfs/dbraw/zinc/16/28/79/404162879.db2.gz ZPBCAWSDHZHPQR-QGZVFWFLSA-N 1 3 320.481 2.139 20 0 DEADHO CCN(CCC[NH+](C)C)C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000344515730 404197409 /nfs/dbraw/zinc/19/74/09/404197409.db2.gz ALWYRORNQPQOIQ-HZPDHXFCSA-N 1 3 312.502 2.233 20 0 DEADHO CC(C)OCC[C@H](O)C[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000349887076 404246626 /nfs/dbraw/zinc/24/66/26/404246626.db2.gz YNLPYLUJQFGALF-RYRKJORJSA-N 1 3 312.498 2.405 20 0 DEADHO CC(C)OCC[C@H](O)CN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000349887076 404246636 /nfs/dbraw/zinc/24/66/36/404246636.db2.gz YNLPYLUJQFGALF-RYRKJORJSA-N 1 3 312.498 2.405 20 0 DEADHO CC(C)OCC[C@H](O)CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000349887076 404246643 /nfs/dbraw/zinc/24/66/43/404246643.db2.gz YNLPYLUJQFGALF-RYRKJORJSA-N 1 3 312.498 2.405 20 0 DEADHO C[C@@H](CC(N)=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000341969446 404285547 /nfs/dbraw/zinc/28/55/47/404285547.db2.gz OZYVAUIKAQFEML-HNNXBMFYSA-N 1 3 303.450 2.416 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCC3(C)C)CC2)CC1 ZINC000344717352 404327712 /nfs/dbraw/zinc/32/77/12/404327712.db2.gz VCQKNSXJBIKUAO-MRXNPFEDSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H]1CCC[C@@](CNC(=O)N2CCN(C)CC[C@H]2C)([NH+](C)C)C1 ZINC000355518540 404346085 /nfs/dbraw/zinc/34/60/85/404346085.db2.gz VFRZZFFQLFNBMC-JFIYKMOQSA-N 1 3 324.513 2.233 20 0 DEADHO CC(=O)N1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000344760194 404352951 /nfs/dbraw/zinc/35/29/51/404352951.db2.gz BHHSFRBEAWTVRG-UHFFFAOYSA-N 1 3 307.482 2.384 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCC(=O)Nc3cc(F)cc(F)c3)C[C@@H]21 ZINC000342096134 404363512 /nfs/dbraw/zinc/36/35/12/404363512.db2.gz GTMWCOLWWJSGOH-XFBWCDHKSA-N 1 3 323.387 2.353 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCCOc3ccc4c(c3)OCO4)C[C@H]21 ZINC000342116814 404377975 /nfs/dbraw/zinc/37/79/75/404377975.db2.gz YTZFFYVAGUJJHO-FVQBIDKESA-N 1 3 318.417 2.243 20 0 DEADHO [NH3+]CC[C@@H]1CCCCN1CCC(=O)N1CCc2sccc2C1 ZINC000352475751 404397117 /nfs/dbraw/zinc/39/71/17/404397117.db2.gz FPJZHNIFBONKGI-HNNXBMFYSA-N 1 3 321.490 2.226 20 0 DEADHO COc1cccc(NC(=O)CCN2CCCC[C@H]2CC[NH3+])c1 ZINC000352477074 404399111 /nfs/dbraw/zinc/39/91/11/404399111.db2.gz KAMDKIPTHXTRFC-HNNXBMFYSA-N 1 3 305.422 2.227 20 0 DEADHO C[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)N1[C@H](C)CC[C@@H]1C ZINC000356230485 404407442 /nfs/dbraw/zinc/40/74/42/404407442.db2.gz MDGYBHAHJOSLIG-UIBIWLFHSA-N 1 3 307.482 2.192 20 0 DEADHO C[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)N1[C@H](C)CC[C@@H]1C ZINC000356230485 404407447 /nfs/dbraw/zinc/40/74/47/404407447.db2.gz MDGYBHAHJOSLIG-UIBIWLFHSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)NC(=O)[C@@H](C)N[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000414345599 404585440 /nfs/dbraw/zinc/58/54/40/404585440.db2.gz OYHQLUUFEGOBOY-HUUCEWRRSA-N 1 3 321.465 2.191 20 0 DEADHO CCN(CC[NH+]1CCCCCC1)C(=O)NCCN(CC)C1CC1 ZINC000352682814 404544907 /nfs/dbraw/zinc/54/49/07/404544907.db2.gz HNOAMZDCCGFIQN-UHFFFAOYSA-N 1 3 324.513 2.378 20 0 DEADHO C[C@@H](CC1CCCC1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414200473 404547084 /nfs/dbraw/zinc/54/70/84/404547084.db2.gz RWYQBFGQWIKXJO-KRWDZBQOSA-N 1 3 323.525 2.341 20 0 DEADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cccs1 ZINC000414206708 404549018 /nfs/dbraw/zinc/54/90/18/404549018.db2.gz YVLDVFSFOXTTGP-OAHLLOKOSA-N 1 3 323.506 2.195 20 0 DEADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C(=O)N(C)C)cc2)C1 ZINC000292065892 404652054 /nfs/dbraw/zinc/65/20/54/404652054.db2.gz HBUXFJHIIIQJCI-GJZGRUSLSA-N 1 3 303.450 2.381 20 0 DEADHO CC(C)(C)OC1CC(NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000352789889 404623215 /nfs/dbraw/zinc/62/32/15/404623215.db2.gz PVRLPCWTFSNCSQ-OOHWJJMZSA-N 1 3 310.482 2.423 20 0 DEADHO CC(C)C[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414558130 404679894 /nfs/dbraw/zinc/67/98/94/404679894.db2.gz RHOIOGFFPCJBBA-UHFFFAOYSA-N 1 3 303.450 2.130 20 0 DEADHO Cc1cc(C)n2c(CN3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cnc2n1 ZINC000414773194 404730526 /nfs/dbraw/zinc/73/05/26/404730526.db2.gz DCRWAFOWERDCQQ-JKSUJKDBSA-N 1 3 313.449 2.168 20 0 DEADHO C[C@@H](C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)N1CCCCCC1 ZINC000353045321 404731104 /nfs/dbraw/zinc/73/11/04/404731104.db2.gz GXKVVCFHOUVLOE-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO Clc1ccc(CNCCCN2CC[NH2+]CC2)c(Cl)c1 ZINC000414786039 404734996 /nfs/dbraw/zinc/73/49/96/404734996.db2.gz WGUCWXSHMKXDHH-UHFFFAOYSA-N 1 3 302.249 2.378 20 0 DEADHO CCCn1nc(C)c(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1C ZINC000414786804 404735400 /nfs/dbraw/zinc/73/54/00/404735400.db2.gz LMMACIFWRASQGC-MSOLQXFVSA-N 1 3 320.481 2.238 20 0 DEADHO CC(C)(C)c1n[nH]cc1CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414792798 404736665 /nfs/dbraw/zinc/73/66/65/404736665.db2.gz SLBVIHSEEGSCLR-CABCVRRESA-N 1 3 306.454 2.035 20 0 DEADHO C[C@H]([NH3+])CCN[C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000414823343 404742670 /nfs/dbraw/zinc/74/26/70/404742670.db2.gz OEJNNMMSLDOEKD-STQMWFEESA-N 1 3 311.857 2.404 20 0 DEADHO COc1cccc(NC(=O)C[C@@H](C)NC[C@@H]2CCC[NH2+]C2)c1 ZINC000414823967 404742965 /nfs/dbraw/zinc/74/29/65/404742965.db2.gz FGRIAUYAVHWBQQ-ZIAGYGMSSA-N 1 3 305.422 2.002 20 0 DEADHO COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCNC2)c1 ZINC000414823967 404742968 /nfs/dbraw/zinc/74/29/68/404742968.db2.gz FGRIAUYAVHWBQQ-ZIAGYGMSSA-N 1 3 305.422 2.002 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCCN1CC ZINC000353114828 404746081 /nfs/dbraw/zinc/74/60/81/404746081.db2.gz UASVOALMVMKIBM-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCCN1CC ZINC000353114828 404746082 /nfs/dbraw/zinc/74/60/82/404746082.db2.gz UASVOALMVMKIBM-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@H](Cn1cc(Br)cn1)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414848265 404747908 /nfs/dbraw/zinc/74/79/08/404747908.db2.gz GFXRJZRKDGLZSB-IJLUTSLNSA-N 1 3 315.259 2.012 20 0 DEADHO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000414848265 404747910 /nfs/dbraw/zinc/74/79/10/404747910.db2.gz GFXRJZRKDGLZSB-IJLUTSLNSA-N 1 3 315.259 2.012 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)C(N)C(F)(F)F)c1ccccc1 ZINC000353134376 404750673 /nfs/dbraw/zinc/75/06/73/404750673.db2.gz VMEJGDAFPNYVCY-OLZOCXBDSA-N 1 3 317.355 2.075 20 0 DEADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NCC[C@@H]2CCOC2)cc1 ZINC000414875927 404754715 /nfs/dbraw/zinc/75/47/15/404754715.db2.gz CPEWCWZXXWRMNM-FHLIZLRMSA-N 1 3 304.434 2.157 20 0 DEADHO C[C@H](CN(C)C)NC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000358515734 404764931 /nfs/dbraw/zinc/76/49/31/404764931.db2.gz AULXPYSIKJJOIE-OAHLLOKOSA-N 1 3 312.502 2.280 20 0 DEADHO CSC1(CNCc2cn3ccccc3n2)CC[NH+](C)CC1 ZINC000353203200 404769263 /nfs/dbraw/zinc/76/92/63/404769263.db2.gz BUEQACGJNIDMRI-UHFFFAOYSA-N 1 3 304.463 2.251 20 0 DEADHO NC[C@@H](NC(=O)[C@@H]1CCCCC[NH2+]1)c1ccc2ccccc2c1 ZINC000365707248 404708895 /nfs/dbraw/zinc/70/88/95/404708895.db2.gz GVSCFFAFWRFGCE-ZWKOTPCHSA-N 1 3 311.429 2.488 20 0 DEADHO CC(C)CC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414697510 404710284 /nfs/dbraw/zinc/71/02/84/404710284.db2.gz CCWOMSUOWGFWPX-IRXDYDNUSA-N 1 3 309.498 2.474 20 0 DEADHO CC(C)CC[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414697510 404710289 /nfs/dbraw/zinc/71/02/89/404710289.db2.gz CCWOMSUOWGFWPX-IRXDYDNUSA-N 1 3 309.498 2.474 20 0 DEADHO C[C@H]1C[C@@H](CN2CCN(c3cc(F)ccc3F)CC2)CC[NH2+]1 ZINC000414702917 404712127 /nfs/dbraw/zinc/71/21/27/404712127.db2.gz VNNYESJXJXPUQX-KBPBESRZSA-N 1 3 309.404 2.475 20 0 DEADHO O=C(NC1CC[NH+](CC2CCCC2)CC1)C12CCCN1CCC2 ZINC000375216966 404719290 /nfs/dbraw/zinc/71/92/90/404719290.db2.gz APQGZMMXUVIYJJ-UHFFFAOYSA-N 1 3 319.493 2.386 20 0 DEADHO CN(CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000365807446 404724391 /nfs/dbraw/zinc/72/43/91/404724391.db2.gz BXOIOKHYFKKCCI-UHFFFAOYSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]C2CCN(CCc3ccccc3)CC2)CCN1 ZINC000414957724 404776029 /nfs/dbraw/zinc/77/60/29/404776029.db2.gz WJTDXMYGZFIWQH-LPHOPBHVSA-N 1 3 301.478 2.424 20 0 DEADHO CSC1(CNCc2cccc3c2OCCO3)CC[NH+](C)CC1 ZINC000353229553 404776501 /nfs/dbraw/zinc/77/65/01/404776501.db2.gz RAGUKRKGPUPKAD-UHFFFAOYSA-N 1 3 322.474 2.375 20 0 DEADHO COC[C@]1(C[NH2+][C@H](C)CCc2ccc(OC)c(O)c2)CCCN1 ZINC000414958632 404776516 /nfs/dbraw/zinc/77/65/16/404776516.db2.gz RHHFEBNPJFDMKS-RDTXWAMCSA-N 1 3 322.449 2.080 20 0 DEADHO FC(F)(F)[C@H](CNC/C=C\c1ccccc1)N1CC[NH2+]CC1 ZINC000414966781 404777879 /nfs/dbraw/zinc/77/78/79/404777879.db2.gz DWYXCIZWPLCQKM-QZDDGCDVSA-N 1 3 313.367 2.126 20 0 DEADHO Cn1nccc1CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377338109 404836741 /nfs/dbraw/zinc/83/67/41/404836741.db2.gz UBIRKESKRYVAPZ-OALUTQOASA-N 1 3 324.472 2.417 20 0 DEADHO Cn1nccc1CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377338109 404836744 /nfs/dbraw/zinc/83/67/44/404836744.db2.gz UBIRKESKRYVAPZ-OALUTQOASA-N 1 3 324.472 2.417 20 0 DEADHO Cc1cc(C)c(C[N@@H+]2CCC[C@H](n3cc(CN)nn3)C2)cc1C ZINC000415119952 404812041 /nfs/dbraw/zinc/81/20/41/404812041.db2.gz FNYOADCXWGXJRN-SFHVURJKSA-N 1 3 313.449 2.499 20 0 DEADHO Cc1cc(C)c(C[N@H+]2CCC[C@H](n3cc(CN)nn3)C2)cc1C ZINC000415119952 404812044 /nfs/dbraw/zinc/81/20/44/404812044.db2.gz FNYOADCXWGXJRN-SFHVURJKSA-N 1 3 313.449 2.499 20 0 DEADHO COc1cccc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000415135985 404816665 /nfs/dbraw/zinc/81/66/65/404816665.db2.gz WWWCJJGAHDXYJR-ZWKOTPCHSA-N 1 3 304.434 2.414 20 0 DEADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H](CO)C2CCOCC2)CC1 ZINC000360807787 404839017 /nfs/dbraw/zinc/83/90/17/404839017.db2.gz XMJCFONCPCWYMO-LZQZEXGQSA-N 1 3 324.509 2.407 20 0 DEADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H](CO)C2CCOCC2)CC1 ZINC000360807787 404839019 /nfs/dbraw/zinc/83/90/19/404839019.db2.gz XMJCFONCPCWYMO-LZQZEXGQSA-N 1 3 324.509 2.407 20 0 DEADHO C[C@@H](O)C[C@H](C)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000361028356 404884434 /nfs/dbraw/zinc/88/44/34/404884434.db2.gz FKERNDWAYGRPNZ-JKSUJKDBSA-N 1 3 319.493 2.466 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000415564635 404885460 /nfs/dbraw/zinc/88/54/60/404885460.db2.gz HXFICHLSOHLXKH-RDJZCZTQSA-N 1 3 318.465 2.430 20 0 DEADHO O=C(Nc1ccc2c(c1)CNCC2)c1cccn1C1CC[NH2+]CC1 ZINC000378187378 404887965 /nfs/dbraw/zinc/88/79/65/404887965.db2.gz JZQHGPOCBVZHDS-UHFFFAOYSA-N 1 3 324.428 2.311 20 0 DEADHO CC(C)C[C@@H](C[NH3+])NC(=O)Nc1ccccc1CCN(C)C ZINC000415588448 404891056 /nfs/dbraw/zinc/89/10/56/404891056.db2.gz ZRCAIQIJYXURHE-HNNXBMFYSA-N 1 3 306.454 2.286 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000353641093 404898893 /nfs/dbraw/zinc/89/88/93/404898893.db2.gz OHWORFOMSSTDTE-IBGZPJMESA-N 1 3 317.477 2.486 20 0 DEADHO C[C@@H](CCc1ccc(F)cc1F)NC[C@@H](O)C[NH+]1CCCC1 ZINC000353501387 404849380 /nfs/dbraw/zinc/84/93/80/404849380.db2.gz IBCRXSMCOMIXET-XJKSGUPXSA-N 1 3 312.404 2.332 20 0 DEADHO CCCCCCNC(=O)CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000366863905 404860754 /nfs/dbraw/zinc/86/07/54/404860754.db2.gz HZGIPFQUFZHMFV-UHFFFAOYSA-N 1 3 309.498 2.491 20 0 DEADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000416897807 404954733 /nfs/dbraw/zinc/95/47/33/404954733.db2.gz YBMPSJNDQIQYBB-RHSMWYFYSA-N 1 3 318.465 2.017 20 0 DEADHO C[C@H]([NH3+])CCNC(=O)NCc1ccccc1CN1CCCCC1 ZINC000416899743 404956507 /nfs/dbraw/zinc/95/65/07/404956507.db2.gz GXFOTALGCQEKQX-HNNXBMFYSA-N 1 3 318.465 2.209 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000423975673 404956523 /nfs/dbraw/zinc/95/65/23/404956523.db2.gz OFBKUBBVBYWGQY-ZWKOTPCHSA-N 1 3 315.461 2.352 20 0 DEADHO C[C@@H](CCc1ccc(F)cc1F)[NH2+]CCOCCN(C)C ZINC000353669835 404911135 /nfs/dbraw/zinc/91/11/35/404911135.db2.gz JGJOWKKSWYDRTL-ZDUSSCGKSA-N 1 3 300.393 2.454 20 0 DEADHO C[C@@H](CNCC(=O)NCC[NH+]1CCCCCC1)c1ccccc1 ZINC000353668728 404911613 /nfs/dbraw/zinc/91/16/13/404911613.db2.gz ABMLSYGEAISIPZ-KRWDZBQOSA-N 1 3 317.477 2.372 20 0 DEADHO CN(C)[C@H](CNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000416797852 404914874 /nfs/dbraw/zinc/91/48/74/404914874.db2.gz BOHFRSRQIFRIPA-USXIJHARSA-N 1 3 318.465 2.106 20 0 DEADHO CN(C)[C@H](CNC(=O)N1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000416803922 404917126 /nfs/dbraw/zinc/91/71/26/404917126.db2.gz JJGNONDXVCVAPP-NVXWUHKLSA-N 1 3 318.465 2.060 20 0 DEADHO CC[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423909669 404924120 /nfs/dbraw/zinc/92/41/20/404924120.db2.gz UGZRAZKKKNVTNR-FGTMMUONSA-N 1 3 315.461 2.237 20 0 DEADHO CC[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423909669 404924124 /nfs/dbraw/zinc/92/41/24/404924124.db2.gz UGZRAZKKKNVTNR-FGTMMUONSA-N 1 3 315.461 2.237 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N1CCC([NH3+])CC1)c1ccccc1 ZINC000416837575 404929058 /nfs/dbraw/zinc/92/90/58/404929058.db2.gz IBASHHFLZXOOHM-KRWDZBQOSA-N 1 3 318.465 2.202 20 0 DEADHO CC[NH2+][C@H](C)CNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000416836616 404929384 /nfs/dbraw/zinc/92/93/84/404929384.db2.gz GTMSESACQLOABZ-KGLIPLIRSA-N 1 3 324.494 2.182 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000416847280 404932678 /nfs/dbraw/zinc/93/26/78/404932678.db2.gz VFGJZLIJSFXBLP-RDJZCZTQSA-N 1 3 318.465 2.060 20 0 DEADHO C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)[C@@H](C)CN1 ZINC000415782418 404941264 /nfs/dbraw/zinc/94/12/64/404941264.db2.gz FBAHEONPIYTUFE-IGCXYCKISA-N 1 3 316.449 2.450 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000417017629 405003114 /nfs/dbraw/zinc/00/31/14/405003114.db2.gz HDSQAHIPZKRZKP-GDBMZVCRSA-N 1 3 310.486 2.068 20 0 DEADHO Cc1cc(F)c(CNC2CCN(CC[NH+](C)C)CC2)c(F)c1 ZINC000424143490 405021695 /nfs/dbraw/zinc/02/16/95/405021695.db2.gz ZLPWKXGKGBOLIB-UHFFFAOYSA-N 1 3 311.420 2.389 20 0 DEADHO CCC[NH+]1CCC(NC(=O)[C@H](C(C)C)N2CCCCC2)CC1 ZINC000354063154 405025611 /nfs/dbraw/zinc/02/56/11/405025611.db2.gz HACCGAPHJUTQID-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](CCNC(=O)[C@H]1C[C@H](C)CCN1)[N@H+](C)Cc1ccccc1 ZINC000379680372 405029128 /nfs/dbraw/zinc/02/91/28/405029128.db2.gz MEJJAJYOHJAQNE-JFIYKMOQSA-N 1 3 317.477 2.401 20 0 DEADHO C[C@H](CCNC(=O)[C@H]1C[C@H](C)CCN1)[N@@H+](C)Cc1ccccc1 ZINC000379680372 405029135 /nfs/dbraw/zinc/02/91/35/405029135.db2.gz MEJJAJYOHJAQNE-JFIYKMOQSA-N 1 3 317.477 2.401 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)N1C[C@@H](C)NC[C@H]1C)CC(C)C ZINC000416961413 404978185 /nfs/dbraw/zinc/97/81/85/404978185.db2.gz SDCGDEHHKNTQTN-OAGGEKHMSA-N 1 3 312.502 2.135 20 0 DEADHO CCN(CC)[C@H](CNC(=O)NCCC[NH2+]C)c1ccsc1 ZINC000417001772 404993521 /nfs/dbraw/zinc/99/35/21/404993521.db2.gz FOFGMNMCCVBKRX-CQSZACIVSA-N 1 3 312.483 2.040 20 0 DEADHO CCN(CCC(=O)N1CCc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000435628991 404998900 /nfs/dbraw/zinc/99/89/00/404998900.db2.gz WPGPYKDCZBMWJJ-KRWDZBQOSA-N 1 3 315.461 2.430 20 0 DEADHO CC[N@H+](CCC(=O)N1CCc2ccccc21)[C@H]1CCCNCC1 ZINC000435628991 404998902 /nfs/dbraw/zinc/99/89/02/404998902.db2.gz WPGPYKDCZBMWJJ-KRWDZBQOSA-N 1 3 315.461 2.430 20 0 DEADHO CC[N@@H+](CCC(=O)N1CCc2ccccc21)[C@H]1CCCNCC1 ZINC000435628991 404998903 /nfs/dbraw/zinc/99/89/03/404998903.db2.gz WPGPYKDCZBMWJJ-KRWDZBQOSA-N 1 3 315.461 2.430 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N[C@H](C[NH3+])C1CC1)c1ccsc1 ZINC000417008740 404999283 /nfs/dbraw/zinc/99/92/83/404999283.db2.gz MNQLSGWALKXQEX-CABCVRRESA-N 1 3 324.494 2.168 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000389928660 405041205 /nfs/dbraw/zinc/04/12/05/405041205.db2.gz YDAMDJSULFQBHE-KXBFYZLASA-N 1 3 323.440 2.396 20 0 DEADHO CC(C)[NH2+]CCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000389895075 405041789 /nfs/dbraw/zinc/04/17/89/405041789.db2.gz YGKVQCDZMOAZOK-DOTOQJQBSA-N 1 3 303.450 2.011 20 0 DEADHO N[C@@H]1CCC[C@H]([NH2+]CCCOCCOCc2ccccc2)C1 ZINC000390673329 405045891 /nfs/dbraw/zinc/04/58/91/405045891.db2.gz UHVVSOJKYNUJLY-MSOLQXFVSA-N 1 3 306.450 2.469 20 0 DEADHO C[C@H]1CC2(CN1CC(=O)N1CCc3ccccc31)CC[NH2+]CC2 ZINC000424285602 405057980 /nfs/dbraw/zinc/05/79/80/405057980.db2.gz GBILFWZNVJXIDI-HNNXBMFYSA-N 1 3 313.445 2.040 20 0 DEADHO CC[NH+]1CCC(NCCNC(=O)CCCc2ccccc2)CC1 ZINC000424324115 405068169 /nfs/dbraw/zinc/06/81/69/405068169.db2.gz LKRKKAAAAFRGOU-UHFFFAOYSA-N 1 3 317.477 2.199 20 0 DEADHO CC(C)N(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424341300 405073029 /nfs/dbraw/zinc/07/30/29/405073029.db2.gz ZWSAEVIZPZDTEG-IAGOWNOFSA-N 1 3 303.450 2.283 20 0 DEADHO CCCN(C(=O)N[C@H](C)CN1CCC[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000417324989 405087763 /nfs/dbraw/zinc/08/77/63/405087763.db2.gz JPAADXBBLHJIHL-HZPDHXFCSA-N 1 3 324.513 2.280 20 0 DEADHO CCCC[C@@H](C[NH3+])NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000418437469 405127048 /nfs/dbraw/zinc/12/70/48/405127048.db2.gz CXWXXCFUHOIBTR-CABCVRRESA-N 1 3 310.486 2.020 20 0 DEADHO [NH3+][C@@H]1CCCN(C(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000418161271 405114669 /nfs/dbraw/zinc/11/46/69/405114669.db2.gz DTJACIFQJFWHRS-MRXNPFEDSA-N 1 3 322.497 2.165 20 0 DEADHO C[NH2+][C@@H]1CCCN(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000418161505 405114728 /nfs/dbraw/zinc/11/47/28/405114728.db2.gz BVQQRMWSFGJXFW-OIISXLGYSA-N 1 3 318.465 2.071 20 0 DEADHO COCCCn1nccc1CN1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000367681557 405124578 /nfs/dbraw/zinc/12/45/78/405124578.db2.gz CULOBLOYVPTTBP-KRWDZBQOSA-N 1 3 320.481 2.083 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CC[C@H](CC(C)(C)C)C2)CC1 ZINC000452079779 405155686 /nfs/dbraw/zinc/15/56/86/405155686.db2.gz NTIMXNFJSJCUHM-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418650573 405151308 /nfs/dbraw/zinc/15/13/08/405151308.db2.gz KNAKXAFYNDFFPT-NVXWUHKLSA-N 1 3 318.465 2.080 20 0 DEADHO O=C(NCCC[C@H]1CCC[NH2+]1)N1CCN(C2CCCCC2)CC1 ZINC000418765916 405197068 /nfs/dbraw/zinc/19/70/68/405197068.db2.gz KDTBGTOYHVZJPG-MRXNPFEDSA-N 1 3 322.497 2.179 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000438859517 405256859 /nfs/dbraw/zinc/25/68/59/405256859.db2.gz PNSOQOPHEKHWBZ-BRWVUGGUSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000438859517 405256862 /nfs/dbraw/zinc/25/68/62/405256862.db2.gz PNSOQOPHEKHWBZ-BRWVUGGUSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000439706090 405289277 /nfs/dbraw/zinc/28/92/77/405289277.db2.gz VQPRVHDAALEJKC-BBWFWOEESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000439706090 405289281 /nfs/dbraw/zinc/28/92/81/405289281.db2.gz VQPRVHDAALEJKC-BBWFWOEESA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CN1C1CC1 ZINC000440274983 405308366 /nfs/dbraw/zinc/30/83/66/405308366.db2.gz IWSDYRPVTMPJSM-KEYYUXOJSA-N 1 3 305.466 2.135 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CN1C1CC1 ZINC000440274983 405308367 /nfs/dbraw/zinc/30/83/67/405308367.db2.gz IWSDYRPVTMPJSM-KEYYUXOJSA-N 1 3 305.466 2.135 20 0 DEADHO c1csc(CCN2CCN(CC[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000420312022 405315229 /nfs/dbraw/zinc/31/52/29/405315229.db2.gz HPGAIMRDYNUAPB-MRXNPFEDSA-N 1 3 307.507 2.298 20 0 DEADHO CCOC[C@@H]1CCCN(C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420312355 405315548 /nfs/dbraw/zinc/31/55/48/405315548.db2.gz WUDWBGBRVRYCNW-NVXWUHKLSA-N 1 3 306.450 2.486 20 0 DEADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000420314549 405316258 /nfs/dbraw/zinc/31/62/58/405316258.db2.gz KIZBKMLFTBFPMP-CRAIPNDOSA-N 1 3 314.433 2.308 20 0 DEADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000420314549 405316260 /nfs/dbraw/zinc/31/62/60/405316260.db2.gz KIZBKMLFTBFPMP-CRAIPNDOSA-N 1 3 314.433 2.308 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN2C[C@H]3CCCCN3C[C@@H]2C)cc1 ZINC000420318033 405316760 /nfs/dbraw/zinc/31/67/60/405316760.db2.gz NQLUZRNOOIRJNU-CGTJXYLNSA-N 1 3 317.477 2.296 20 0 DEADHO O=C(CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N(C1CC1)C1CCCC1 ZINC000420322364 405318459 /nfs/dbraw/zinc/31/84/59/405318459.db2.gz DVDFBXMKIVPSNA-JKSUJKDBSA-N 1 3 319.493 2.242 20 0 DEADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCOc2ccc(F)cc2)CC1 ZINC000420327184 405320845 /nfs/dbraw/zinc/32/08/45/405320845.db2.gz KWIBYKBFWBNYPR-SJORKVTESA-N 1 3 308.397 2.033 20 0 DEADHO CNC(=O)c1cccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000420331146 405322078 /nfs/dbraw/zinc/32/20/78/405322078.db2.gz CVVMZFUYQQDXBG-KRWDZBQOSA-N 1 3 301.434 2.010 20 0 DEADHO CC1CCC(N(C)C(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000420333194 405323182 /nfs/dbraw/zinc/32/31/82/405323182.db2.gz FEEAZJLMKODWPR-JDEYZFBPSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1CCC[C@H](NC(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)[C@@H]1C ZINC000420338997 405325250 /nfs/dbraw/zinc/32/52/50/405325250.db2.gz LGDBQSQFUXREGN-ZBRFXRBCSA-N 1 3 321.509 2.249 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H](C)CN(C)C)c1 ZINC000425932419 405331152 /nfs/dbraw/zinc/33/11/52/405331152.db2.gz QAEUOXRAJFMXBS-KBPBESRZSA-N 1 3 307.438 2.200 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)NC[C@H](C)C[NH+](C)C)c1 ZINC000425932419 405331156 /nfs/dbraw/zinc/33/11/56/405331156.db2.gz QAEUOXRAJFMXBS-KBPBESRZSA-N 1 3 307.438 2.200 20 0 DEADHO COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H](C)CN(C)C)c1 ZINC000425932423 405331182 /nfs/dbraw/zinc/33/11/82/405331182.db2.gz QAEUOXRAJFMXBS-UONOGXRCSA-N 1 3 307.438 2.200 20 0 DEADHO COc1cccc(NC(=O)C[C@@H](C)NC[C@H](C)C[NH+](C)C)c1 ZINC000425932423 405331186 /nfs/dbraw/zinc/33/11/86/405331186.db2.gz QAEUOXRAJFMXBS-UONOGXRCSA-N 1 3 307.438 2.200 20 0 DEADHO CC[NH+](CC)CCCNC(=O)NCCN1CCCC(C)(C)C1 ZINC000444891761 405343469 /nfs/dbraw/zinc/34/34/69/405343469.db2.gz YMCFEPUEKRXJNN-UHFFFAOYSA-N 1 3 312.502 2.140 20 0 DEADHO C[C@@H]1CCN(CCCOc2ccc3c(c2)OCO3)C[C@H]1C[NH3+] ZINC000420408822 405346012 /nfs/dbraw/zinc/34/60/12/405346012.db2.gz PYZHQXIGVAFJOL-ZIAGYGMSSA-N 1 3 306.406 2.101 20 0 DEADHO COC(=O)[C@@H](CC[N@@H+]1CC[C@@]2(CCN(C)C2)C1)c1ccccc1 ZINC000425445267 405291610 /nfs/dbraw/zinc/29/16/10/405291610.db2.gz MNMXLCZAVDYPMC-PKOBYXMFSA-N 1 3 316.445 2.361 20 0 DEADHO COC(=O)[C@@H](CC[N@H+]1CC[C@@]2(CCN(C)C2)C1)c1ccccc1 ZINC000425445267 405291613 /nfs/dbraw/zinc/29/16/13/405291613.db2.gz MNMXLCZAVDYPMC-PKOBYXMFSA-N 1 3 316.445 2.361 20 0 DEADHO CC(C)[N@H+](C)CCNC(=O)Nc1ccccc1CCN(C)C ZINC000446578743 405385180 /nfs/dbraw/zinc/38/51/80/405385180.db2.gz WNRVQOJTIIEPKV-UHFFFAOYSA-N 1 3 306.454 2.252 20 0 DEADHO CC(C)[N@@H+](C)CCNC(=O)Nc1ccccc1CCN(C)C ZINC000446578743 405385183 /nfs/dbraw/zinc/38/51/83/405385183.db2.gz WNRVQOJTIIEPKV-UHFFFAOYSA-N 1 3 306.454 2.252 20 0 DEADHO CCN(Cc1ccc(C(=O)NCC2=CC[NH2+]CC2)cc1)C1CC1 ZINC000427169055 405393279 /nfs/dbraw/zinc/39/32/79/405393279.db2.gz BMGYDVRKAKABCS-UHFFFAOYSA-N 1 3 313.445 2.320 20 0 DEADHO CCN(Cc1ccc(C(=O)N[C@H](C[NH3+])C2CC2)cc1)C1CC1 ZINC000429549854 405435825 /nfs/dbraw/zinc/43/58/25/405435825.db2.gz VGUUSRMKEGGMJP-QGZVFWFLSA-N 1 3 301.434 2.138 20 0 DEADHO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCCN1C1CCCC1)C1CC1 ZINC000448750603 405443833 /nfs/dbraw/zinc/44/38/33/405443833.db2.gz QJLXVTQYEPSMPX-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO COc1cccc(NC(=O)CCN2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000430551977 405455694 /nfs/dbraw/zinc/45/56/94/405455694.db2.gz AGBUZNSAUPYHJJ-KGLIPLIRSA-N 1 3 305.422 2.083 20 0 DEADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)NCc2ccccc2)CC1 ZINC000430581061 405461061 /nfs/dbraw/zinc/46/10/61/405461061.db2.gz NOFNKGZGYDOMPI-HNNXBMFYSA-N 1 3 303.450 2.013 20 0 DEADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CC3(CC(N)=O)CC3)CC2)C1 ZINC000421349315 405466443 /nfs/dbraw/zinc/46/64/43/405466443.db2.gz IHNHZVLUJLKNOM-GDBMZVCRSA-N 1 3 307.482 2.275 20 0 DEADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC3(CC(N)=O)CC3)CC2)C1 ZINC000421349315 405466445 /nfs/dbraw/zinc/46/64/45/405466445.db2.gz IHNHZVLUJLKNOM-GDBMZVCRSA-N 1 3 307.482 2.275 20 0 DEADHO O=C1C[C@H]([NH2+]CC2CCN(Cc3cccs3)CC2)CCCN1 ZINC000638457649 405481275 /nfs/dbraw/zinc/48/12/75/405481275.db2.gz WCVQOUYMVSVMMH-OAHLLOKOSA-N 1 3 321.490 2.218 20 0 DEADHO CC(C)(O)C[NH+]1CCC(NCCc2cccc(F)c2F)CC1 ZINC000638590556 405560344 /nfs/dbraw/zinc/56/03/44/405560344.db2.gz KRSAOTOLPUWETG-UHFFFAOYSA-N 1 3 312.404 2.332 20 0 DEADHO C[C@H](C(=O)NC[C@H]1[NH2+]CCCC1(C)C)[C@H](N)c1ccccc1 ZINC000430735412 405501811 /nfs/dbraw/zinc/50/18/11/405501811.db2.gz YYKHXCOKSVPXOC-IMJJTQAJSA-N 1 3 303.450 2.217 20 0 DEADHO O[C@H](CNC1CC[NH+](C2CCC2)CC1)COCc1cccs1 ZINC000577742548 405505659 /nfs/dbraw/zinc/50/56/59/405505659.db2.gz XSDWGTLOCALWOF-MRXNPFEDSA-N 1 3 324.490 2.232 20 0 DEADHO CN1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH2+]2)[C@H]1c1cccs1 ZINC000430807865 405511099 /nfs/dbraw/zinc/51/10/99/405511099.db2.gz UZNUYOPTMRPOCU-LZWOXQAQSA-N 1 3 321.490 2.389 20 0 DEADHO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC([C@@H](C)[NH3+])CC1 ZINC000430928841 405531841 /nfs/dbraw/zinc/53/18/41/405531841.db2.gz VAPBRYZQXFSRMX-CVEARBPZSA-N 1 3 317.477 2.401 20 0 DEADHO COc1cc(OC)c(CN2CCC3(CC[NH2+]C3)CC2)c(OC)c1 ZINC000430932348 405533581 /nfs/dbraw/zinc/53/35/81/405533581.db2.gz FEUZPXRXIVXECC-UHFFFAOYSA-N 1 3 320.433 2.288 20 0 DEADHO c1cc(N2CCCC2)ncc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000430935839 405535452 /nfs/dbraw/zinc/53/54/52/405535452.db2.gz VQVLTWZLZYAJER-UHFFFAOYSA-N 1 3 300.450 2.257 20 0 DEADHO C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC([C@H](C)[NH3+])CC1 ZINC000430935776 405535605 /nfs/dbraw/zinc/53/56/05/405535605.db2.gz RJHXESDFBASOPI-UONOGXRCSA-N 1 3 321.440 2.404 20 0 DEADHO OCCCN1CCC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000449395896 405544084 /nfs/dbraw/zinc/54/40/84/405544084.db2.gz JXPPOKKZADQIAU-GOSISDBHSA-N 1 3 323.525 2.220 20 0 DEADHO Cc1ccc(-c2noc(CCC[N@@H+](C)[C@H](C)CN)n2)cc1F ZINC000430971891 405552948 /nfs/dbraw/zinc/55/29/48/405552948.db2.gz NEDZKZKDRWDOKJ-GFCCVEGCSA-N 1 3 306.385 2.396 20 0 DEADHO Cc1ccc(-c2noc(CCC[N@H+](C)[C@H](C)CN)n2)cc1F ZINC000430971891 405552956 /nfs/dbraw/zinc/55/29/56/405552956.db2.gz NEDZKZKDRWDOKJ-GFCCVEGCSA-N 1 3 306.385 2.396 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+][C@H]2CC[C@@H](CO)C2)CC1 ZINC000449423264 405554430 /nfs/dbraw/zinc/55/44/30/405554430.db2.gz AEPGRHGUFMOYDP-AEFFLSMTSA-N 1 3 317.477 2.079 20 0 DEADHO C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000493876015 405605136 /nfs/dbraw/zinc/60/51/36/405605136.db2.gz SRWPUHZKLMOASG-GJZGRUSLSA-N 1 3 303.450 2.272 20 0 DEADHO C[C@@H](NC(=O)NC(C)(C)C[NH+](C)C)[C@@H](c1ccccc1)N(C)C ZINC000458773733 405583901 /nfs/dbraw/zinc/58/39/01/405583901.db2.gz OBWLDOFXRCFHQX-ZBFHGGJFSA-N 1 3 320.481 2.317 20 0 DEADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCN2CCC(O)CC2)CC1 ZINC000449643971 405654302 /nfs/dbraw/zinc/65/43/02/405654302.db2.gz CTIJKTTUTGJKNH-QFBILLFUSA-N 1 3 323.525 2.076 20 0 DEADHO CC1(C)CCC[N@@H+]1CCNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000457048175 405668903 /nfs/dbraw/zinc/66/89/03/405668903.db2.gz DNOGNIWXEQNNEG-MRXNPFEDSA-N 1 3 307.482 2.384 20 0 DEADHO CC1(C)CCC[N@H+]1CCNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000457048175 405668910 /nfs/dbraw/zinc/66/89/10/405668910.db2.gz DNOGNIWXEQNNEG-MRXNPFEDSA-N 1 3 307.482 2.384 20 0 DEADHO CC1(C)CCCN1CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000457048175 405668915 /nfs/dbraw/zinc/66/89/15/405668915.db2.gz DNOGNIWXEQNNEG-MRXNPFEDSA-N 1 3 307.482 2.384 20 0 DEADHO CC1(C)CCCN1CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000457048175 405668920 /nfs/dbraw/zinc/66/89/20/405668920.db2.gz DNOGNIWXEQNNEG-MRXNPFEDSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@@H](C(=O)N1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C)[C@@H](N)c1ccccc1 ZINC000422541979 405669446 /nfs/dbraw/zinc/66/94/46/405669446.db2.gz PDZRIHNRMVATGA-AEKWLRTRSA-N 1 3 303.450 2.154 20 0 DEADHO COCCN(C)CC[C@@H](N[C@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422722760 405675857 /nfs/dbraw/zinc/67/58/57/405675857.db2.gz YXMKHJCVANFLST-NZSAHSFTSA-N 1 3 319.493 2.426 20 0 DEADHO C(CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)COCC1CCOCC1 ZINC000422783610 405682108 /nfs/dbraw/zinc/68/21/08/405682108.db2.gz NCWFZRXUILRZAW-KURKYZTESA-N 1 3 310.482 2.330 20 0 DEADHO CC[C@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCCCN1 ZINC000422799584 405684084 /nfs/dbraw/zinc/68/40/84/405684084.db2.gz XMYPTYCCZFOURA-YVSFHVDLSA-N 1 3 311.514 2.385 20 0 DEADHO OC[C@H](Cc1ccc(F)cc1)N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423078748 405700025 /nfs/dbraw/zinc/70/00/25/405700025.db2.gz PEGQRPCJBJMETL-WNRNVDISSA-N 1 3 306.425 2.239 20 0 DEADHO CC(C)N1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000457090877 405691947 /nfs/dbraw/zinc/69/19/47/405691947.db2.gz MFTKWSZKVRCDKD-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000422953996 405692743 /nfs/dbraw/zinc/69/27/43/405692743.db2.gz GUUWBEMCPZYJIY-JKSUJKDBSA-N 1 3 301.434 2.073 20 0 DEADHO C[NH2+][C@@H](C)C(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000638829112 405697304 /nfs/dbraw/zinc/69/73/04/405697304.db2.gz JBFHWYMYPFWKRO-GXFFZTMASA-N 1 3 317.355 2.032 20 0 DEADHO COc1cccc2cc([C@@H](C)NCCCN3CC[NH2+]CC3)oc21 ZINC000423179345 405712341 /nfs/dbraw/zinc/71/23/41/405712341.db2.gz MCAZTTUFWHKOGW-CQSZACIVSA-N 1 3 317.433 2.387 20 0 DEADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CCCCN1 ZINC000638837095 405704362 /nfs/dbraw/zinc/70/43/62/405704362.db2.gz XWUYLVAFURQORO-KBAYOESNSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CCCCN1 ZINC000638837095 405704365 /nfs/dbraw/zinc/70/43/65/405704365.db2.gz XWUYLVAFURQORO-KBAYOESNSA-N 1 3 315.461 2.013 20 0 DEADHO COc1cc(F)cc(C[C@H](C)[NH2+][C@@H]2CCOC[C@H]2[C@H](C)N)c1 ZINC000423159158 405705417 /nfs/dbraw/zinc/70/54/17/405705417.db2.gz FKCHCMNSKRKCEA-MWDDYTRKSA-N 1 3 310.413 2.107 20 0 DEADHO COc1cc(F)cc(C[C@H](C)N[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])c1 ZINC000423159158 405705424 /nfs/dbraw/zinc/70/54/24/405705424.db2.gz FKCHCMNSKRKCEA-MWDDYTRKSA-N 1 3 310.413 2.107 20 0 DEADHO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000638850344 405713570 /nfs/dbraw/zinc/71/35/70/405713570.db2.gz DLALWFKZUJDUEA-RHSMWYFYSA-N 1 3 303.450 2.285 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H]1CN1CCC(C)(N2CCOCC2)CC1 ZINC000528728195 405726383 /nfs/dbraw/zinc/72/63/83/405726383.db2.gz ZGTJZIPZHNEOOJ-SFHVURJKSA-N 1 3 323.525 2.436 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H]1CN1CCC(C)(N2CCOCC2)CC1 ZINC000528728195 405726384 /nfs/dbraw/zinc/72/63/84/405726384.db2.gz ZGTJZIPZHNEOOJ-SFHVURJKSA-N 1 3 323.525 2.436 20 0 DEADHO CC(C)N1CCCC[C@H]1C[NH+]1CCC(C)(N2CCOCC2)CC1 ZINC000528728195 405726385 /nfs/dbraw/zinc/72/63/85/405726385.db2.gz ZGTJZIPZHNEOOJ-SFHVURJKSA-N 1 3 323.525 2.436 20 0 DEADHO C(C[NH2+]C1CCCCCC1)N[C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000423283423 405747466 /nfs/dbraw/zinc/74/74/66/405747466.db2.gz WCZMNMQBLTZBHQ-KSZLIROESA-N 1 3 309.498 2.046 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)CC2(C[NH3+])CC2)N(C)C)cc1 ZINC000423298502 405752276 /nfs/dbraw/zinc/75/22/76/405752276.db2.gz AHMCUOORFIMIOA-MRXNPFEDSA-N 1 3 303.450 2.097 20 0 DEADHO CC[N@@H+]1CCC[C@@H](CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000494709376 405753244 /nfs/dbraw/zinc/75/32/44/405753244.db2.gz GGXMYSYLZCSMBX-GJZGRUSLSA-N 1 3 311.470 2.317 20 0 DEADHO CC[N@H+]1CCC[C@@H](CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000494709376 405753247 /nfs/dbraw/zinc/75/32/47/405753247.db2.gz GGXMYSYLZCSMBX-GJZGRUSLSA-N 1 3 311.470 2.317 20 0 DEADHO [NH3+]CC1(CC(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000423306562 405754477 /nfs/dbraw/zinc/75/44/77/405754477.db2.gz LUBRJOYWWXLIFR-CYBMUJFWSA-N 1 3 307.463 2.130 20 0 DEADHO C[C@@H]1CN(CCC[NH2+]Cc2ccc([S@@](C)=O)cc2)CCCO1 ZINC000432359286 405754868 /nfs/dbraw/zinc/75/48/68/405754868.db2.gz RZBCUXOOPIFAKK-IVZQSRNASA-N 1 3 324.490 2.015 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000423365327 405777607 /nfs/dbraw/zinc/77/76/07/405777607.db2.gz BNGGHNYHWXBHKH-IHRRRGAJSA-N 1 3 305.422 2.142 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCN[C@@H](C)C1 ZINC000423365327 405777614 /nfs/dbraw/zinc/77/76/14/405777614.db2.gz BNGGHNYHWXBHKH-IHRRRGAJSA-N 1 3 305.422 2.142 20 0 DEADHO CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]2C[C@H](C)CCN2)c1 ZINC000423364033 405778492 /nfs/dbraw/zinc/77/84/92/405778492.db2.gz YWJSCFYDXWXVCK-RHSMWYFYSA-N 1 3 303.450 2.143 20 0 DEADHO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2C[C@H](C)CCN2)c1 ZINC000423364033 405778496 /nfs/dbraw/zinc/77/84/96/405778496.db2.gz YWJSCFYDXWXVCK-RHSMWYFYSA-N 1 3 303.450 2.143 20 0 DEADHO C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@H]1CCOC1 ZINC000423364927 405778708 /nfs/dbraw/zinc/77/87/08/405778708.db2.gz KFCADVYSOJTVCS-HVOFVXBASA-N 1 3 310.388 2.425 20 0 DEADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H](N)C2CCC2)CC1 ZINC000423369895 405779969 /nfs/dbraw/zinc/77/99/69/405779969.db2.gz CLHIEOJXPJGIGQ-KSSFIOAISA-N 1 3 315.461 2.456 20 0 DEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000423372797 405782079 /nfs/dbraw/zinc/78/20/79/405782079.db2.gz HDWGPGRGRYNBDB-KONPQCLYSA-N 1 3 302.466 2.152 20 0 DEADHO CC1(C)CCCN[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000423421590 405802203 /nfs/dbraw/zinc/80/22/03/405802203.db2.gz YBEVFHNLPRPEAJ-HZPDHXFCSA-N 1 3 307.482 2.145 20 0 DEADHO CC1(C)CCCN[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000423421590 405802206 /nfs/dbraw/zinc/80/22/06/405802206.db2.gz YBEVFHNLPRPEAJ-HZPDHXFCSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CN1C1CC1 ZINC000423436309 405806016 /nfs/dbraw/zinc/80/60/16/405806016.db2.gz SKUYYQASKIYRSV-UKPHBRMFSA-N 1 3 315.461 2.454 20 0 DEADHO Cn1cncc1CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000530460184 405806398 /nfs/dbraw/zinc/80/63/98/405806398.db2.gz RZNJERZXDWVYKW-DFQSSKMNSA-N 1 3 324.472 2.463 20 0 DEADHO Cn1cncc1CCN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000530460184 405806407 /nfs/dbraw/zinc/80/64/07/405806407.db2.gz RZNJERZXDWVYKW-DFQSSKMNSA-N 1 3 324.472 2.463 20 0 DEADHO Cn1cncc1CCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000530460184 405806416 /nfs/dbraw/zinc/80/64/16/405806416.db2.gz RZNJERZXDWVYKW-DFQSSKMNSA-N 1 3 324.472 2.463 20 0 DEADHO CCC(C)(C)[C@@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000584040577 405813101 /nfs/dbraw/zinc/81/31/01/405813101.db2.gz RJYGXUWZHMXROV-MRXNPFEDSA-N 1 3 311.514 2.197 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)C3CCC([NH3+])CC3)C2)cc1 ZINC000639006391 405817932 /nfs/dbraw/zinc/81/79/32/405817932.db2.gz WHGSEEAIACNEMN-ABHNRTSZSA-N 1 3 315.461 2.203 20 0 DEADHO Cc1ccc(S(=O)(=O)C[C@H](C)NCCC[C@@H]2CCC[NH2+]2)cc1 ZINC000423471308 405817938 /nfs/dbraw/zinc/81/79/38/405817938.db2.gz FAOCTFJSVZZYQQ-JKSUJKDBSA-N 1 3 324.490 2.279 20 0 DEADHO CN[C@@H](CC(C)(C)C)C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000639024043 405825572 /nfs/dbraw/zinc/82/55/72/405825572.db2.gz NLTZMGBPMKEYFB-HIFRSBDPSA-N 1 3 303.450 2.175 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H](N)c1ccccc1 ZINC000423338153 405767188 /nfs/dbraw/zinc/76/71/88/405767188.db2.gz KQWFJVFCONOMSZ-BRWVUGGUSA-N 1 3 315.461 2.456 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H](N)c1ccccc1 ZINC000423338153 405767189 /nfs/dbraw/zinc/76/71/89/405767189.db2.gz KQWFJVFCONOMSZ-BRWVUGGUSA-N 1 3 315.461 2.456 20 0 DEADHO [NH3+]C[C@H]1Cc2ccccc2N(C(=O)[C@H]2CNCc3ccccc32)C1 ZINC000639024469 405827524 /nfs/dbraw/zinc/82/75/24/405827524.db2.gz OSQCFTBQCAAXAM-KDOFPFPSSA-N 1 3 321.424 2.038 20 0 DEADHO Cc1ccc2[nH]c(C(=O)N(CCN(C)C)CC[NH+](C)C)cc2c1 ZINC000530880875 405875512 /nfs/dbraw/zinc/87/55/12/405875512.db2.gz ZIRFLUPSRTWJHS-UHFFFAOYSA-N 1 3 316.449 2.042 20 0 DEADHO CCc1cc(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)cc[nH+]1 ZINC000450410925 405884383 /nfs/dbraw/zinc/88/43/83/405884383.db2.gz NOMDPSBKPUDARG-OALUTQOASA-N 1 3 311.429 2.113 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000530950619 405886833 /nfs/dbraw/zinc/88/68/33/405886833.db2.gz RKUKMZMUGOKLLJ-NXHRZFHOSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000530950619 405886837 /nfs/dbraw/zinc/88/68/37/405886837.db2.gz RKUKMZMUGOKLLJ-NXHRZFHOSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1C[C@H](NC[C@@H](Cc2ccccc2Cl)C(N)=O)CC[N@@H+]1C ZINC000639042017 405838183 /nfs/dbraw/zinc/83/81/83/405838183.db2.gz RYXZNQXNNPGRRG-BPLDGKMQSA-N 1 3 323.868 2.056 20 0 DEADHO C[C@@H]1C[C@H](NC[C@@H](Cc2ccccc2Cl)C(N)=O)CC[N@H+]1C ZINC000639042017 405838186 /nfs/dbraw/zinc/83/81/86/405838186.db2.gz RYXZNQXNNPGRRG-BPLDGKMQSA-N 1 3 323.868 2.056 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459291276 405839018 /nfs/dbraw/zinc/83/90/18/405839018.db2.gz HJZSEDZTAXKVLW-KRWDZBQOSA-N 1 3 324.513 2.236 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459291276 405839020 /nfs/dbraw/zinc/83/90/20/405839020.db2.gz HJZSEDZTAXKVLW-KRWDZBQOSA-N 1 3 324.513 2.236 20 0 DEADHO C[N@@H+](Cc1ccccc1)CC1CCN(C[C@H]2COCCO2)CC1 ZINC000450347563 405848813 /nfs/dbraw/zinc/84/88/13/405848813.db2.gz PSUYTFBBNBIRCC-IBGZPJMESA-N 1 3 318.461 2.246 20 0 DEADHO C[N@H+](Cc1ccccc1)CC1CCN(C[C@H]2COCCO2)CC1 ZINC000450347563 405848820 /nfs/dbraw/zinc/84/88/20/405848820.db2.gz PSUYTFBBNBIRCC-IBGZPJMESA-N 1 3 318.461 2.246 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000639067680 405858816 /nfs/dbraw/zinc/85/88/16/405858816.db2.gz KVMGDZNETYOTHX-RBSFLKMASA-N 1 3 301.434 2.338 20 0 DEADHO [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CCN(C2CCCCC2)CC1 ZINC000423716903 405925641 /nfs/dbraw/zinc/92/56/41/405925641.db2.gz YOUBWNREKWTJSZ-DOTOQJQBSA-N 1 3 307.482 2.371 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000433344474 405928271 /nfs/dbraw/zinc/92/82/71/405928271.db2.gz RSLZUBBWORKARV-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000433344474 405928278 /nfs/dbraw/zinc/92/82/78/405928278.db2.gz RSLZUBBWORKARV-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO CN(C(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCCN(C)C1 ZINC000433360664 405934045 /nfs/dbraw/zinc/93/40/45/405934045.db2.gz FHLXRTVAUHSVDI-SJORKVTESA-N 1 3 303.450 2.232 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(C(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC000531288017 405937602 /nfs/dbraw/zinc/93/76/02/405937602.db2.gz VXDWOAMALMZUJU-HOTGVXAUSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(C(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC000531288017 405937605 /nfs/dbraw/zinc/93/76/05/405937605.db2.gz VXDWOAMALMZUJU-HOTGVXAUSA-N 1 3 309.498 2.438 20 0 DEADHO CC[C@@H](Cc1ccccc1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000531357607 405947509 /nfs/dbraw/zinc/94/75/09/405947509.db2.gz IFHYQBPILIVCIM-SFHVURJKSA-N 1 3 319.493 2.207 20 0 DEADHO CN(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423779221 405962041 /nfs/dbraw/zinc/96/20/41/405962041.db2.gz UYHSMNCAXCAOBH-HIFRSBDPSA-N 1 3 309.841 2.059 20 0 DEADHO CCC(CC)(C[NH3+])C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000423782151 405965153 /nfs/dbraw/zinc/96/51/53/405965153.db2.gz IKOYTNVTOAIGAT-UHFFFAOYSA-N 1 3 318.465 2.179 20 0 DEADHO CN(C)[C@H](CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000433230855 405903903 /nfs/dbraw/zinc/90/39/03/405903903.db2.gz WBXCHNXKBBAHDU-FGTMMUONSA-N 1 3 315.461 2.422 20 0 DEADHO CN(C)[C@H](CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000433230855 405903905 /nfs/dbraw/zinc/90/39/05/405903905.db2.gz WBXCHNXKBBAHDU-FGTMMUONSA-N 1 3 315.461 2.422 20 0 DEADHO CN(CCC[NH3+])C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000561198635 405905543 /nfs/dbraw/zinc/90/55/43/405905543.db2.gz APMWMNBEPJOOLH-UHFFFAOYSA-N 1 3 310.486 2.023 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(C)CCC3)CC2)CC1 ZINC000561304321 405917594 /nfs/dbraw/zinc/91/75/94/405917594.db2.gz DDJDUTZUJYKWRO-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO COCCC[NH+]1CCC(NCCC(=O)Nc2ccccc2)CC1 ZINC000568857751 292372058 /nfs/dbraw/zinc/37/20/58/292372058.db2.gz OEOFFVIJYSGDTD-UHFFFAOYSA-N 1 3 319.449 2.106 20 0 DEADHO CC(C)(O)CN1CCC([NH2+]C[C@@H]2CCN2C2CCCCC2)CC1 ZINC000639346620 406058406 /nfs/dbraw/zinc/05/84/06/406058406.db2.gz UDPKKHQTNRHTMW-SFHVURJKSA-N 1 3 323.525 2.218 20 0 DEADHO CC(C)(O)C[NH+]1CCC(N[C@@H]2CCO[C@H]2c2ccccc2)CC1 ZINC000639357057 406063294 /nfs/dbraw/zinc/06/32/94/406063294.db2.gz KIEZARMONFQXGU-MSOLQXFVSA-N 1 3 318.461 2.342 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634260909 406072178 /nfs/dbraw/zinc/07/21/78/406072178.db2.gz XCCLYZDOEBZMAD-KRWDZBQOSA-N 1 3 324.513 2.282 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000518810775 406161095 /nfs/dbraw/zinc/16/10/95/406161095.db2.gz YQXREGDVRLWDDF-WBVHZDCISA-N 1 3 319.493 2.194 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000518810775 406161099 /nfs/dbraw/zinc/16/10/99/406161099.db2.gz YQXREGDVRLWDDF-WBVHZDCISA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N(C)[C@H](C)C2CCN(C)CC2)CC1 ZINC000479475197 406167187 /nfs/dbraw/zinc/16/71/87/406167187.db2.gz OKTHKJWANGZDST-OAHLLOKOSA-N 1 3 309.498 2.296 20 0 DEADHO CCc1cc(N2CCC[C@@H]([NH2+][C@@H](C)[C@@H]3CCCCN3)C2)ncn1 ZINC000567647062 406111866 /nfs/dbraw/zinc/11/18/66/406111866.db2.gz PQIKMOZDMFFKEC-UAGQMJEPSA-N 1 3 317.481 2.128 20 0 DEADHO [NH3+]CCOCCN1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000519407767 406197282 /nfs/dbraw/zinc/19/72/82/406197282.db2.gz YXNMHIKMZZEXQM-CYBMUJFWSA-N 1 3 305.447 2.451 20 0 DEADHO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000569239078 406225700 /nfs/dbraw/zinc/22/57/00/406225700.db2.gz WHJUYBCRZOZXAE-CRAIPNDOSA-N 1 3 315.461 2.064 20 0 DEADHO C[NH+]1CCC2(CCN(C[C@H]3COc4ccccc4O3)C2)CC1 ZINC000639756560 406236843 /nfs/dbraw/zinc/23/68/43/406236843.db2.gz XCIXZCHIZOGTQA-HNNXBMFYSA-N 1 3 302.418 2.244 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C[C@H](C)O1 ZINC000569543884 406266023 /nfs/dbraw/zinc/26/60/23/406266023.db2.gz GUYRTYYXPRLIRA-FOLVSLTJSA-N 1 3 307.438 2.068 20 0 DEADHO C[NH+](C)[C@H]1CCCN(C(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000637370102 406283729 /nfs/dbraw/zinc/28/37/29/406283729.db2.gz LWMFIEVDZUSXSI-IRXDYDNUSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000520403279 406288829 /nfs/dbraw/zinc/28/88/29/406288829.db2.gz RMOYEVYHUYPPPA-CQSZACIVSA-N 1 3 318.465 2.017 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000520807761 406316974 /nfs/dbraw/zinc/31/69/74/406316974.db2.gz QTZBNVPFERPXEW-GDZNZVCISA-N 1 3 314.433 2.265 20 0 DEADHO CC(C)[NH2+]CCCNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000637485724 406325890 /nfs/dbraw/zinc/32/58/90/406325890.db2.gz ATCLMDJNHJCBFL-INIZCTEOSA-N 1 3 324.444 2.116 20 0 DEADHO Cc1nc(CNCCc2ccc(OCC[NH+](C)C)cc2)[nH]c1C ZINC000521462723 406349728 /nfs/dbraw/zinc/34/97/28/406349728.db2.gz NBAAUGGLGUHVEH-UHFFFAOYSA-N 1 3 316.449 2.299 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCN(C(=O)Nc3ccccc3)C2)C1 ZINC000521462276 406350071 /nfs/dbraw/zinc/35/00/71/406350071.db2.gz DPYBJIPVRSVVRW-KBMXLJTQSA-N 1 3 302.422 2.152 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000523649338 406429452 /nfs/dbraw/zinc/42/94/52/406429452.db2.gz GISZDMLKNRNCMJ-KRWDZBQOSA-N 1 3 303.450 2.048 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000523649338 406429455 /nfs/dbraw/zinc/42/94/55/406429455.db2.gz GISZDMLKNRNCMJ-KRWDZBQOSA-N 1 3 303.450 2.048 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489213577 406384670 /nfs/dbraw/zinc/38/46/70/406384670.db2.gz HVZPVFKPKYNTCB-TWMKSMIVSA-N 1 3 324.513 2.421 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccncc2OCCN(C)C)C[C@H](C)O1 ZINC000570397207 406387117 /nfs/dbraw/zinc/38/71/17/406387117.db2.gz UFNQKRFTHHVFIZ-MIFYACCESA-N 1 3 307.438 2.068 20 0 DEADHO COCC1CCC(Nc2cc(N3CCNCC3)cc[nH+]2)CC1 ZINC000635010337 406398769 /nfs/dbraw/zinc/39/87/69/406398769.db2.gz JTJQAADDOYJSLY-UHFFFAOYSA-N 1 3 304.438 2.108 20 0 DEADHO C[N@H+](CCC(=O)NC1CCN(C2CC2)CC1)C1CCCCC1 ZINC000547430255 406409419 /nfs/dbraw/zinc/40/94/19/406409419.db2.gz MQFZFTJOXFZXFE-UHFFFAOYSA-N 1 3 307.482 2.384 20 0 DEADHO C[N@@H+](CCC(=O)NC1CCN(C2CC2)CC1)C1CCCCC1 ZINC000547430255 406409420 /nfs/dbraw/zinc/40/94/20/406409420.db2.gz MQFZFTJOXFZXFE-UHFFFAOYSA-N 1 3 307.482 2.384 20 0 DEADHO C[NH+](C)CC1(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000635071658 406416205 /nfs/dbraw/zinc/41/62/05/406416205.db2.gz TWLMTIIZTBFAAY-UHFFFAOYSA-N 1 3 315.461 2.109 20 0 DEADHO CCN(CC)[C@H](CNC(=O)C1=CC[C@H]([NH3+])C1)c1ccccc1 ZINC000637799863 406424941 /nfs/dbraw/zinc/42/49/41/406424941.db2.gz RIICNQVSSXMMKL-DLBZAZTESA-N 1 3 301.434 2.233 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000570278870 406371056 /nfs/dbraw/zinc/37/10/56/406371056.db2.gz RIQIPNJOWKLZHX-AEFFLSMTSA-N 1 3 315.461 2.254 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000570278870 406371062 /nfs/dbraw/zinc/37/10/62/406371062.db2.gz RIQIPNJOWKLZHX-AEFFLSMTSA-N 1 3 315.461 2.254 20 0 DEADHO CC1CCN(CCNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000547733466 406440039 /nfs/dbraw/zinc/44/00/39/406440039.db2.gz CBHBNPAGVNNKFI-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CC1CCN(CCNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000547733466 406440041 /nfs/dbraw/zinc/44/00/41/406440041.db2.gz CBHBNPAGVNNKFI-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)N1CC[C@H](C[NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000570857130 406448729 /nfs/dbraw/zinc/44/87/29/406448729.db2.gz NFMRIJVGNSNMGV-QGZVFWFLSA-N 1 3 316.493 2.366 20 0 DEADHO CC[NH2+][C@H](C)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000638070040 406554828 /nfs/dbraw/zinc/55/48/28/406554828.db2.gz OQWBOLMVZBRKID-NVXWUHKLSA-N 1 3 303.450 2.328 20 0 DEADHO CCN[C@H](C)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000638092727 406565531 /nfs/dbraw/zinc/56/55/31/406565531.db2.gz ZXBHJQZRPPBCLP-CYBMUJFWSA-N 1 3 304.438 2.129 20 0 DEADHO CCC[C@H](CN1CCN(C2CC[NH+](C(C)C)CC2)CC1)OC ZINC000638153652 406596509 /nfs/dbraw/zinc/59/65/09/406596509.db2.gz QUIPTDVXESACQQ-GOSISDBHSA-N 1 3 311.514 2.292 20 0 DEADHO CO[C@H](CN1CC[C@@H](C[NH+]2CCCCC2)C1)C1CCOCC1 ZINC000638120052 406580158 /nfs/dbraw/zinc/58/01/58/406580158.db2.gz CBANIRWJFCLEAT-FUHWJXTLSA-N 1 3 310.482 2.236 20 0 DEADHO CO[C@H](C[N@@H+]1CC[C@@H](CN2CCCCC2)C1)C1CCOCC1 ZINC000638120052 406580162 /nfs/dbraw/zinc/58/01/62/406580162.db2.gz CBANIRWJFCLEAT-FUHWJXTLSA-N 1 3 310.482 2.236 20 0 DEADHO CO[C@H](C[N@H+]1CC[C@@H](CN2CCCCC2)C1)C1CCOCC1 ZINC000638120052 406580164 /nfs/dbraw/zinc/58/01/64/406580164.db2.gz CBANIRWJFCLEAT-FUHWJXTLSA-N 1 3 310.482 2.236 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000527087293 406580620 /nfs/dbraw/zinc/58/06/20/406580620.db2.gz DQFFEQZHRVDIFJ-HNNXBMFYSA-N 1 3 318.465 2.254 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000527087293 406580622 /nfs/dbraw/zinc/58/06/22/406580622.db2.gz DQFFEQZHRVDIFJ-HNNXBMFYSA-N 1 3 318.465 2.254 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638287185 406673281 /nfs/dbraw/zinc/67/32/81/406673281.db2.gz UEEFUFMCPTVNRI-YJBOKZPZSA-N 1 3 313.445 2.157 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000646014467 406743979 /nfs/dbraw/zinc/74/39/79/406743979.db2.gz YTIWAPQKDIWKEE-YOEHRIQHSA-N 1 3 315.461 2.326 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)/C=C\C[NH+](C)C)C1 ZINC000491848357 406747186 /nfs/dbraw/zinc/74/71/86/406747186.db2.gz NINOLQVPVJFOGL-VONQVCDISA-N 1 3 301.434 2.056 20 0 DEADHO C[C@@H](C(=O)N1CCC(C)CC1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420332590 286745110 /nfs/dbraw/zinc/74/51/10/286745110.db2.gz DHQKYIJKDQJNBD-DOTOQJQBSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1[NH2+]CC[C@H]1C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000646253938 406826574 /nfs/dbraw/zinc/82/65/74/406826574.db2.gz AUWBTBGLLNKDTC-CZUORRHYSA-N 1 3 323.868 2.228 20 0 DEADHO C[NH2+]C[C@@H](C)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000646408654 406858966 /nfs/dbraw/zinc/85/89/66/406858966.db2.gz AIZAWLGWOKMWPQ-NVXWUHKLSA-N 1 3 303.450 2.185 20 0 DEADHO Nc1cnccc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000641772616 406888868 /nfs/dbraw/zinc/88/88/68/406888868.db2.gz PDXJMDFUFMTDAN-UHFFFAOYSA-N 1 3 311.433 2.061 20 0 DEADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCCCc1nc(-c2cccs2)no1 ZINC000641807108 406897544 /nfs/dbraw/zinc/89/75/44/406897544.db2.gz QKCDOMYEORGHBU-NEPJUHHUSA-N 1 3 306.435 2.446 20 0 DEADHO CC[C@@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000577515390 406841159 /nfs/dbraw/zinc/84/11/59/406841159.db2.gz UGZRAZKKKNVTNR-KURKYZTESA-N 1 3 315.461 2.237 20 0 DEADHO CC[C@@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000577515390 406841160 /nfs/dbraw/zinc/84/11/60/406841160.db2.gz UGZRAZKKKNVTNR-KURKYZTESA-N 1 3 315.461 2.237 20 0 DEADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1ccccc1C1CC1 ZINC000647539544 407016026 /nfs/dbraw/zinc/01/60/26/407016026.db2.gz NPBIIPCXEXEREC-KRWDZBQOSA-N 1 3 315.461 2.384 20 0 DEADHO COC1([C@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)CCCC1 ZINC000643346170 406986030 /nfs/dbraw/zinc/98/60/30/406986030.db2.gz GLJDXOLOBFBWSA-HOTGVXAUSA-N 1 3 309.498 2.092 20 0 DEADHO C[NH+](C)CCOc1ccc(CN2CC[C@H](n3cccn3)C2)cc1 ZINC000643351886 406987273 /nfs/dbraw/zinc/98/72/73/406987273.db2.gz KQGRGPOAXZEEGO-KRWDZBQOSA-N 1 3 314.433 2.271 20 0 DEADHO Cc1cccc(C)c1OC[C@H](O)CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000643464010 407003806 /nfs/dbraw/zinc/00/38/06/407003806.db2.gz UNSLXPAJPBIDHP-KBRIMQKVSA-N 1 3 306.450 2.021 20 0 DEADHO CCC(CC)NC(=O)[C@H](C)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976539 407091930 /nfs/dbraw/zinc/09/19/30/407091930.db2.gz PTHXFFMXILSSIO-XHSDSOJGSA-N 1 3 309.498 2.391 20 0 DEADHO COc1ccccc1COC1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000647990212 407095547 /nfs/dbraw/zinc/09/55/47/407095547.db2.gz GNODYCDSPBEKNU-HNNXBMFYSA-N 1 3 304.434 2.286 20 0 DEADHO COCc1cc(C[NH2+]C2CCN(CC(C)(C)O)CC2)ccc1F ZINC000647909157 407072839 /nfs/dbraw/zinc/07/28/39/407072839.db2.gz QIHOOXXFPUBJNH-UHFFFAOYSA-N 1 3 324.440 2.297 20 0 DEADHO CCCN(C(=O)NCC[N@@H+]1CCCC[C@@H]1CC)[C@@H]1CCN(C)C1 ZINC000645305689 407261059 /nfs/dbraw/zinc/26/10/59/407261059.db2.gz YEDDPWLTPRMHMA-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO CCCN(C(=O)NCC[N@H+]1CCCC[C@@H]1CC)[C@@H]1CCN(C)C1 ZINC000645305689 407261060 /nfs/dbraw/zinc/26/10/60/407261060.db2.gz YEDDPWLTPRMHMA-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO CCCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1CCN(C)C1 ZINC000645330048 407265035 /nfs/dbraw/zinc/26/50/35/407265035.db2.gz NEBBGHJEXQTBLQ-NPYXIHBLSA-N 1 3 322.497 2.127 20 0 DEADHO CCCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1CCN(C)C1 ZINC000645330048 407265036 /nfs/dbraw/zinc/26/50/36/407265036.db2.gz NEBBGHJEXQTBLQ-NPYXIHBLSA-N 1 3 322.497 2.127 20 0 DEADHO CC[NH2+]CCCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000570306714 292475839 /nfs/dbraw/zinc/47/58/39/292475839.db2.gz SWBDZLGJDCEVPK-AWEZNQCLSA-N 1 3 324.494 2.184 20 0 DEADHO O=C(NCC[NH2+]C1CCCCCC1)NC1CCN(C2CC2)CC1 ZINC000570938462 292516213 /nfs/dbraw/zinc/51/62/13/292516213.db2.gz LLKGSHQXJNVAQH-UHFFFAOYSA-N 1 3 322.497 2.225 20 0 DEADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(CS(C)(=O)=O)c1 ZINC000131621295 196185232 /nfs/dbraw/zinc/18/52/32/196185232.db2.gz XVJKXXGJHGOJPQ-KEYYUXOJSA-N 1 3 324.490 2.050 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(C)(C)N ZINC000237342277 287276024 /nfs/dbraw/zinc/27/60/24/287276024.db2.gz JBZCQZCCEWCDRU-CQSZACIVSA-N 1 3 303.450 2.415 20 0 DEADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(C)(C)N ZINC000237342277 287276025 /nfs/dbraw/zinc/27/60/25/287276025.db2.gz JBZCQZCCEWCDRU-CQSZACIVSA-N 1 3 303.450 2.415 20 0 DEADHO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000295871406 225332880 /nfs/dbraw/zinc/33/28/80/225332880.db2.gz XHXGPUXZVNMAFB-RDTXWAMCSA-N 1 3 320.502 2.484 20 0 DEADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000417539489 287389586 /nfs/dbraw/zinc/38/95/86/287389586.db2.gz VKVHRWKCMKXAGD-HZPDHXFCSA-N 1 3 322.497 2.034 20 0 DEADHO CCn1cncc1CN1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000417817778 229112290 /nfs/dbraw/zinc/11/22/90/229112290.db2.gz VIVRZKCIJDVFPB-UHFFFAOYSA-N 1 3 322.497 2.473 20 0 DEADHO CCn1cncc1CN1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000417817778 229112293 /nfs/dbraw/zinc/11/22/93/229112293.db2.gz VIVRZKCIJDVFPB-UHFFFAOYSA-N 1 3 322.497 2.473 20 0 DEADHO C[C@H](CNC(=O)N1CCCC[C@@H]1C[NH3+])N(C)Cc1ccccc1 ZINC000417561704 229051221 /nfs/dbraw/zinc/05/12/21/229051221.db2.gz BKCHSXDOXXYYPP-NVXWUHKLSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000417667101 229065527 /nfs/dbraw/zinc/06/55/27/229065527.db2.gz HMFXPALVDXQFDU-NVXWUHKLSA-N 1 3 318.465 2.078 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@@H](C)CCC[NH3+])N(C)C ZINC000418160133 229245815 /nfs/dbraw/zinc/24/58/15/229245815.db2.gz AZCFFLYKVCJYNA-UXLLHSPISA-N 1 3 320.481 2.413 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)NCC1=CC[NH2+]CC1 ZINC000418534503 229380329 /nfs/dbraw/zinc/38/03/29/229380329.db2.gz AXKOSDJZAWMYGQ-UHFFFAOYSA-N 1 3 322.497 2.060 20 0 DEADHO CN(C(=O)NCC(C)(C)[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418424010 229344515 /nfs/dbraw/zinc/34/45/15/229344515.db2.gz GKIYVZNINRDJJG-MRXNPFEDSA-N 1 3 318.465 2.030 20 0 DEADHO CC[C@H](C)[NH2+][C@H](CNC(=O)N1C[C@@H](C)NC[C@@H]1C)c1ccco1 ZINC000418170810 287624388 /nfs/dbraw/zinc/62/43/88/287624388.db2.gz SNZYBYFKNLBINZ-LJISPDSOSA-N 1 3 322.453 2.101 20 0 DEADHO C[C@@H]1C[C@@H](C)N(CCCOc2ccc3c(c2)OCO3)C[C@@H]1C[NH3+] ZINC000422639161 230161123 /nfs/dbraw/zinc/16/11/23/230161123.db2.gz SFQAIGZYGXWARW-KFWWJZLASA-N 1 3 320.433 2.489 20 0 DEADHO C[C@@H]1C[C@@H](C)[N@H+](CCCOc2ccc3c(c2)OCO3)C[C@@H]1CN ZINC000422639161 230161124 /nfs/dbraw/zinc/16/11/24/230161124.db2.gz SFQAIGZYGXWARW-KFWWJZLASA-N 1 3 320.433 2.489 20 0 DEADHO C[C@@H]1C[C@@H](C)[N@@H+](CCCOc2ccc3c(c2)OCO3)C[C@@H]1CN ZINC000422639161 230161126 /nfs/dbraw/zinc/16/11/26/230161126.db2.gz SFQAIGZYGXWARW-KFWWJZLASA-N 1 3 320.433 2.489 20 0 DEADHO Fc1cccc(F)c1CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422697157 230168025 /nfs/dbraw/zinc/16/80/25/230168025.db2.gz UBPIKWGEOQRIPQ-KBRIMQKVSA-N 1 3 310.388 2.254 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCSCc1ccccc1F ZINC000422763570 230193920 /nfs/dbraw/zinc/19/39/20/230193920.db2.gz JGWVVGLLYIOHFF-NOLJZWGESA-N 1 3 312.454 2.401 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](CO)Cc1ccccc1 ZINC000422764445 230197134 /nfs/dbraw/zinc/19/71/34/230197134.db2.gz PPJKOXHBDQTIQK-WMLDXEAASA-N 1 3 313.445 2.351 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000422837916 230237004 /nfs/dbraw/zinc/23/70/04/230237004.db2.gz VSOVTAMNZAXCNS-KRWDZBQOSA-N 1 3 303.450 2.386 20 0 DEADHO COc1cc(OC)c(CC[NH2+][C@H]2CCCC[C@H]2CN)c(OC)c1 ZINC000422891520 230262738 /nfs/dbraw/zinc/26/27/38/230262738.db2.gz VOIJXLOFXNDRSR-BBRMVZONSA-N 1 3 322.449 2.362 20 0 DEADHO COc1cc(OC)c(CCN[C@H]2CCCC[C@H]2C[NH3+])c(OC)c1 ZINC000422891520 230262740 /nfs/dbraw/zinc/26/27/40/230262740.db2.gz VOIJXLOFXNDRSR-BBRMVZONSA-N 1 3 322.449 2.362 20 0 DEADHO Cc1nccn1C[C@H](C)C[NH2+][C@H](Cc1ccccc1)[C@@H](C)N ZINC000422960717 230296489 /nfs/dbraw/zinc/29/64/89/230296489.db2.gz XNPAITNZJFTRFY-IIDMSEBBSA-N 1 3 300.450 2.376 20 0 DEADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1ccccc1 ZINC000422977788 230303647 /nfs/dbraw/zinc/30/36/47/230303647.db2.gz GEVQCOJHRMLZLU-NRSFXHEJSA-N 1 3 304.434 2.201 20 0 DEADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Oc1ccccc1 ZINC000422977787 230303947 /nfs/dbraw/zinc/30/39/47/230303947.db2.gz GEVQCOJHRMLZLU-LAVFITLUSA-N 1 3 304.434 2.201 20 0 DEADHO C[C@@H](CCC[NH3+])Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000422982804 230304753 /nfs/dbraw/zinc/30/47/53/230304753.db2.gz RLIZGHFMUPRBGO-HNNXBMFYSA-N 1 3 305.466 2.430 20 0 DEADHO C[C@](CO)(CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000423107598 230352039 /nfs/dbraw/zinc/35/20/39/230352039.db2.gz LBTRLEVWJDLZKV-WJFTUGDTSA-N 1 3 302.462 2.447 20 0 DEADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1cccc(N2CCOCC2)c1 ZINC000423133027 230360667 /nfs/dbraw/zinc/36/06/67/230360667.db2.gz JYCLHENZJLHQQG-MAUKXSAKSA-N 1 3 303.450 2.001 20 0 DEADHO CC(C)([NH3+])CCC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000387017425 424912088 /nfs/dbraw/zinc/91/20/88/424912088.db2.gz CBDKNWQXOKNCLG-MRXNPFEDSA-N 1 3 303.450 2.457 20 0 DEADHO C[C@@]1(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]C1 ZINC000390759140 424917909 /nfs/dbraw/zinc/91/79/09/424917909.db2.gz YJWIMILPOVNXQH-PKOBYXMFSA-N 1 3 315.461 2.014 20 0 DEADHO CN(C)CCOc1cccc(NC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)c1 ZINC000407362315 424932224 /nfs/dbraw/zinc/93/22/24/424932224.db2.gz IBNKNWLSUCKFPA-IAGOWNOFSA-N 1 3 317.433 2.096 20 0 DEADHO C[C@](O)(C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)C(F)(F)F ZINC000309852978 424894369 /nfs/dbraw/zinc/89/43/69/424894369.db2.gz KGSFAEQIWKXKAV-GJZGRUSLSA-N 1 3 316.367 2.411 20 0 DEADHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000415086166 424949256 /nfs/dbraw/zinc/94/92/56/424949256.db2.gz JHNBPUFCRPAKHX-HYVNUMGLSA-N 1 3 307.482 2.288 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)N1CCCC12CCN(C)CC2 ZINC000651194073 425114784 /nfs/dbraw/zinc/11/47/84/425114784.db2.gz SAZLMSHEDQUEOH-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)N1CCCC12CCN(C)CC2 ZINC000651194073 425114785 /nfs/dbraw/zinc/11/47/85/425114785.db2.gz SAZLMSHEDQUEOH-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)C1 ZINC000660610514 425173906 /nfs/dbraw/zinc/17/39/06/425173906.db2.gz AEARUNWLULVZDS-JYJNAYRXSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N(C)CCN1CCCCC1 ZINC000666753153 425175285 /nfs/dbraw/zinc/17/52/85/425175285.db2.gz PQTGSPSKFVJIJB-QGZVFWFLSA-N 1 3 324.513 2.234 20 0 DEADHO CCN(C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCN(C)C1 ZINC000663635761 425200885 /nfs/dbraw/zinc/20/08/85/425200885.db2.gz SPFHGUDVMWECOF-IXDOHACOSA-N 1 3 324.513 2.090 20 0 DEADHO CCN(C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCN(C)C1 ZINC000663635761 425200891 /nfs/dbraw/zinc/20/08/91/425200891.db2.gz SPFHGUDVMWECOF-IXDOHACOSA-N 1 3 324.513 2.090 20 0 DEADHO CCOCC[C@@H](O)C[NH+]1CCC(NCc2ccccc2)CC1 ZINC000660678046 425205267 /nfs/dbraw/zinc/20/52/67/425205267.db2.gz PZQCSDHJGAPJON-GOSISDBHSA-N 1 3 306.450 2.028 20 0 DEADHO OC[C@@H]1CCC[N@@H+]1CCCCNCc1cc2cnccc2o1 ZINC000651713960 425144610 /nfs/dbraw/zinc/14/46/10/425144610.db2.gz KQRBXUCHTJAGFC-HNNXBMFYSA-N 1 3 303.406 2.154 20 0 DEADHO OC[C@@H]1CCC[N@H+]1CCCCNCc1cc2cnccc2o1 ZINC000651713960 425144611 /nfs/dbraw/zinc/14/46/11/425144611.db2.gz KQRBXUCHTJAGFC-HNNXBMFYSA-N 1 3 303.406 2.154 20 0 DEADHO CC(=O)NC1CCC([NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC000663465155 425165137 /nfs/dbraw/zinc/16/51/37/425165137.db2.gz IHYGUZTZEREDGK-AOCRQIFASA-N 1 3 307.482 2.145 20 0 DEADHO CC[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)[C@@H]1CCCCO1 ZINC000653875567 425242568 /nfs/dbraw/zinc/24/25/68/425242568.db2.gz WNYVMOCYEMDUHW-MSOLQXFVSA-N 1 3 311.514 2.340 20 0 DEADHO CCN(C(=O)NC[C@H](C)[NH+]1CCC(C)CC1)[C@@H]1CCN(CC)C1 ZINC000663848279 425250055 /nfs/dbraw/zinc/25/00/55/425250055.db2.gz CWZRMKVULNUAMS-DLBZAZTESA-N 1 3 324.513 2.233 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@]3(C)CC3(C)C)CC2)CC1 ZINC000663876651 425257318 /nfs/dbraw/zinc/25/73/18/425257318.db2.gz JVCKXTXAGWCRPZ-SFHVURJKSA-N 1 3 322.497 2.033 20 0 DEADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000653952237 425259532 /nfs/dbraw/zinc/25/95/32/425259532.db2.gz HKQCRRGKQXOSNI-ZACQAIPSSA-N 1 3 322.497 2.034 20 0 DEADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000653952237 425259534 /nfs/dbraw/zinc/25/95/34/425259534.db2.gz HKQCRRGKQXOSNI-ZACQAIPSSA-N 1 3 322.497 2.034 20 0 DEADHO CN(CCN1CCCCC1)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000652205286 425212747 /nfs/dbraw/zinc/21/27/47/425212747.db2.gz SPWUSDPGVBJPFR-INIZCTEOSA-N 1 3 310.486 2.021 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]Cc2c(C3CC3)cnn2C)C[C@H](C)O1 ZINC000657366460 425318304 /nfs/dbraw/zinc/31/83/04/425318304.db2.gz HEGBKWLKWMCPSI-GASCZTMLSA-N 1 3 320.481 2.277 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000664213291 425332177 /nfs/dbraw/zinc/33/21/77/425332177.db2.gz NIPCIXLFYQQAME-WBVHZDCISA-N 1 3 322.497 2.177 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000664213291 425332179 /nfs/dbraw/zinc/33/21/79/425332179.db2.gz NIPCIXLFYQQAME-WBVHZDCISA-N 1 3 322.497 2.177 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000654385286 425339803 /nfs/dbraw/zinc/33/98/03/425339803.db2.gz CEMLIXWGBUXQDM-HOTGVXAUSA-N 1 3 322.497 2.129 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000654385286 425339804 /nfs/dbraw/zinc/33/98/04/425339804.db2.gz CEMLIXWGBUXQDM-HOTGVXAUSA-N 1 3 322.497 2.129 20 0 DEADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000654429351 425350461 /nfs/dbraw/zinc/35/04/61/425350461.db2.gz XCKMQAUQRKQQBY-IKGGRYGDSA-N 1 3 322.497 2.034 20 0 DEADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000654429351 425350464 /nfs/dbraw/zinc/35/04/64/425350464.db2.gz XCKMQAUQRKQQBY-IKGGRYGDSA-N 1 3 322.497 2.034 20 0 DEADHO C[NH+]1CCC(CCNC(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000654427246 425350536 /nfs/dbraw/zinc/35/05/36/425350536.db2.gz GQLSXZFDEJJSJJ-DLBZAZTESA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccccc1F ZINC000664314409 425359382 /nfs/dbraw/zinc/35/93/82/425359382.db2.gz KBXJDKWWLGMIES-ZDUSSCGKSA-N 1 3 310.417 2.219 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccccc1F ZINC000664314409 425359386 /nfs/dbraw/zinc/35/93/86/425359386.db2.gz KBXJDKWWLGMIES-ZDUSSCGKSA-N 1 3 310.417 2.219 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654603650 425395536 /nfs/dbraw/zinc/39/55/36/425395536.db2.gz LPULHMMDDYGEBZ-IRXDYDNUSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654603650 425395539 /nfs/dbraw/zinc/39/55/39/425395539.db2.gz LPULHMMDDYGEBZ-IRXDYDNUSA-N 1 3 324.513 2.280 20 0 DEADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000653121880 425410411 /nfs/dbraw/zinc/41/04/11/425410411.db2.gz FFBVMKUNFBWLFZ-RCCFBDPRSA-N 1 3 315.461 2.237 20 0 DEADHO CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[C@@H]1CCN(CC)C1 ZINC000664368408 425370914 /nfs/dbraw/zinc/37/09/14/425370914.db2.gz JAAVGLLVGSVDTM-HUUCEWRRSA-N 1 3 312.502 2.088 20 0 DEADHO O[C@@H]1CCN(Cc2ccc(C[NH2+]C[C@H]3CCSC3)cc2)C1 ZINC000657594828 425371185 /nfs/dbraw/zinc/37/11/85/425371185.db2.gz CZCHRGXYIFMLIG-IAGOWNOFSA-N 1 3 306.475 2.096 20 0 DEADHO Cc1n[nH]c(C)c1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657612013 425375594 /nfs/dbraw/zinc/37/55/94/425375594.db2.gz IPPWAXFFYDTPTJ-UHFFFAOYSA-N 1 3 313.449 2.423 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654566374 425384560 /nfs/dbraw/zinc/38/45/60/425384560.db2.gz AWUXNNJLJOTFBP-ULQDDVLXSA-N 1 3 324.513 2.423 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654566374 425384565 /nfs/dbraw/zinc/38/45/65/425384565.db2.gz AWUXNNJLJOTFBP-ULQDDVLXSA-N 1 3 324.513 2.423 20 0 DEADHO CCN(C(=O)NCC[C@@H](C)[NH+]1CCCCC1)[C@@H]1CCN(CC)C1 ZINC000664643700 425430500 /nfs/dbraw/zinc/43/05/00/425430500.db2.gz UTARFOWRURABOB-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000654738778 425431189 /nfs/dbraw/zinc/43/11/89/425431189.db2.gz QYIWGTQRSKYWCB-YESZJQIVSA-N 1 3 322.497 2.127 20 0 DEADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000654738778 425431192 /nfs/dbraw/zinc/43/11/92/425431192.db2.gz QYIWGTQRSKYWCB-YESZJQIVSA-N 1 3 322.497 2.127 20 0 DEADHO C[C@@H]1C[C@H](NCC2CC[NH+](C3CCOCC3)CC2)c2nccn21 ZINC000658069246 425431978 /nfs/dbraw/zinc/43/19/78/425431978.db2.gz DTUXBPKAWMNYCD-PBHICJAKSA-N 1 3 318.465 2.370 20 0 DEADHO C[C@H]1C[C@H](NCC2CC[NH+](C3CCOCC3)CC2)c2nccn21 ZINC000658069249 425432569 /nfs/dbraw/zinc/43/25/69/425432569.db2.gz DTUXBPKAWMNYCD-YOEHRIQHSA-N 1 3 318.465 2.370 20 0 DEADHO CC1(C)OCC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166531 425451140 /nfs/dbraw/zinc/45/11/40/425451140.db2.gz VOVZKXAOBIGOTI-QGZVFWFLSA-N 1 3 303.450 2.451 20 0 DEADHO O=C1CC[C@@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)N1 ZINC000658258521 425462793 /nfs/dbraw/zinc/46/27/93/425462793.db2.gz NRPRLYUQHPUKSM-XLAORIBOSA-N 1 3 313.445 2.050 20 0 DEADHO O=C1CC[C@@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)N1 ZINC000658258521 425462797 /nfs/dbraw/zinc/46/27/97/425462797.db2.gz NRPRLYUQHPUKSM-XLAORIBOSA-N 1 3 313.445 2.050 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000654949537 425471767 /nfs/dbraw/zinc/47/17/67/425471767.db2.gz WEJBHEPNHBDTKE-WWDZGPRUSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC1(N)CCCC1 ZINC000665249051 425528757 /nfs/dbraw/zinc/52/87/57/425528757.db2.gz IIZKYODDTXEOHO-WBVHZDCISA-N 1 3 302.466 2.153 20 0 DEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NCC1([NH3+])CCCC1 ZINC000665249051 425528759 /nfs/dbraw/zinc/52/87/59/425528759.db2.gz IIZKYODDTXEOHO-WBVHZDCISA-N 1 3 302.466 2.153 20 0 DEADHO C[NH2+]CCCC(=O)N1CCC(N[C@@H](C)c2cnc(C)s2)CC1 ZINC000665287300 425535312 /nfs/dbraw/zinc/53/53/12/425535312.db2.gz HOZCWMRCSVZZCS-LBPRGKRZSA-N 1 3 324.494 2.093 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000655348977 425539851 /nfs/dbraw/zinc/53/98/51/425539851.db2.gz DGQOYRONPFFQNG-ZWKOTPCHSA-N 1 3 315.461 2.495 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000655348977 425539852 /nfs/dbraw/zinc/53/98/52/425539852.db2.gz DGQOYRONPFFQNG-ZWKOTPCHSA-N 1 3 315.461 2.495 20 0 DEADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000665364424 425555116 /nfs/dbraw/zinc/55/51/16/425555116.db2.gz PUNOXJCYGZOGGW-PMPSAXMXSA-N 1 3 322.497 2.127 20 0 DEADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000665364424 425555119 /nfs/dbraw/zinc/55/51/19/425555119.db2.gz PUNOXJCYGZOGGW-PMPSAXMXSA-N 1 3 322.497 2.127 20 0 DEADHO CC(C)[NH2+]CC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000659286354 425567606 /nfs/dbraw/zinc/56/76/06/425567606.db2.gz ZKCHFKMYMIWHRM-UHFFFAOYSA-N 1 3 321.490 2.214 20 0 DEADHO O=C(CC[NH2+]C1CC1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000655444357 425568163 /nfs/dbraw/zinc/56/81/63/425568163.db2.gz CSBZOQWJEIPEQA-GOSISDBHSA-N 1 3 315.461 2.472 20 0 DEADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655449213 425569720 /nfs/dbraw/zinc/56/97/20/425569720.db2.gz PKHWQNGBCZGMPQ-QAPCUYQASA-N 1 3 301.434 2.385 20 0 DEADHO [NH3+][C@H]1Cc2ccccc2N(C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000659326447 425577922 /nfs/dbraw/zinc/57/79/22/425577922.db2.gz ZXRQNNSJXWWOGB-DOTOQJQBSA-N 1 3 307.397 2.138 20 0 DEADHO O[C@H]1CCN(C2CC[NH+](CCCCOc3ccccc3)CC2)C1 ZINC000662159372 425578577 /nfs/dbraw/zinc/57/85/77/425578577.db2.gz ZADNLDXOGYFNRT-SFHVURJKSA-N 1 3 318.461 2.377 20 0 DEADHO COc1cccc(CCC[NH+]2CCC(N3CC[C@@H](O)C3)CC2)c1 ZINC000662157839 425579233 /nfs/dbraw/zinc/57/92/33/425579233.db2.gz QTVDPZQXIYMWPD-GOSISDBHSA-N 1 3 318.461 2.159 20 0 DEADHO CN(CCOc1cccc(Cl)c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248796 425599276 /nfs/dbraw/zinc/59/92/76/425599276.db2.gz JTMFELJALVQEKB-OAHLLOKOSA-N 1 3 310.825 2.172 20 0 DEADHO CN(CCOc1cccc(Cl)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248794 425600492 /nfs/dbraw/zinc/60/04/92/425600492.db2.gz JTMFELJALVQEKB-HNNXBMFYSA-N 1 3 310.825 2.172 20 0 DEADHO Fc1ccc(C[C@@H]2CC[N@H+](C[C@@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662254241 425601973 /nfs/dbraw/zinc/60/19/73/425601973.db2.gz GDDVQCYNCMKGTR-RDJZCZTQSA-N 1 3 304.409 2.211 20 0 DEADHO Fc1ccc(C[C@@H]2CC[N@@H+](C[C@@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662254241 425601978 /nfs/dbraw/zinc/60/19/78/425601978.db2.gz GDDVQCYNCMKGTR-RDJZCZTQSA-N 1 3 304.409 2.211 20 0 DEADHO Cc1ccc(OC2CCN(C[C@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000662252191 425602233 /nfs/dbraw/zinc/60/22/33/425602233.db2.gz MRUCYGAYFHMGMH-GOSISDBHSA-N 1 3 316.445 2.359 20 0 DEADHO c1ccc(CN(C[C@H]2CCCO2)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662253007 425602588 /nfs/dbraw/zinc/60/25/88/425602588.db2.gz FZLHIWZQPZUFBP-MSOLQXFVSA-N 1 3 316.445 2.189 20 0 DEADHO C[N@H+](C[C@H]1CCC2(CNC2)O1)[C@H]1CCCN(c2ccccc2)C1 ZINC000662263117 425606088 /nfs/dbraw/zinc/60/60/88/425606088.db2.gz KWDNKZKLTRWHPM-ZWKOTPCHSA-N 1 3 315.461 2.108 20 0 DEADHO C[N@@H+](C[C@H]1CCC2(CNC2)O1)[C@H]1CCCN(c2ccccc2)C1 ZINC000662263117 425606093 /nfs/dbraw/zinc/60/60/93/425606093.db2.gz KWDNKZKLTRWHPM-ZWKOTPCHSA-N 1 3 315.461 2.108 20 0 DEADHO Clc1ccc(CNCCC[NH+]2CCC2)c(-n2cncn2)c1 ZINC000655753900 425646770 /nfs/dbraw/zinc/64/67/70/425646770.db2.gz BRLICYXCSGPJTD-UHFFFAOYSA-N 1 3 305.813 2.106 20 0 DEADHO CCCN1CCC[C@H]1C[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000655768495 425649855 /nfs/dbraw/zinc/64/98/55/425649855.db2.gz GFPKUTNKFSTKCI-ZWKOTPCHSA-N 1 3 309.498 2.094 20 0 DEADHO CC1(C)CCCN1CC[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000655775085 425651396 /nfs/dbraw/zinc/65/13/96/425651396.db2.gz OJHWDXCVVFIUBH-KRWDZBQOSA-N 1 3 309.498 2.094 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000662466078 425657973 /nfs/dbraw/zinc/65/79/73/425657973.db2.gz QUDLBXXUWACNFV-ZDUSSCGKSA-N 1 3 313.829 2.217 20 0 DEADHO C[C@H]1C[C@H](C)C[NH+](CCN2CCC(CN3CCOCC3)CC2)C1 ZINC000659843934 425666252 /nfs/dbraw/zinc/66/62/52/425666252.db2.gz DXGRYZSPJXQFEO-ROUUACIJSA-N 1 3 323.525 2.009 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc3c(s2)CCNC3)C1 ZINC000662499351 425667367 /nfs/dbraw/zinc/66/73/67/425667367.db2.gz ZGDRRHZFTQDIMH-ZDUSSCGKSA-N 1 3 321.490 2.102 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc3c(s2)CCNC3)C1 ZINC000662499351 425667371 /nfs/dbraw/zinc/66/73/71/425667371.db2.gz ZGDRRHZFTQDIMH-ZDUSSCGKSA-N 1 3 321.490 2.102 20 0 DEADHO O=C(C[C@H]1NCc2ccccc21)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000662519106 425672750 /nfs/dbraw/zinc/67/27/50/425672750.db2.gz XQCQGKMQZHSJDI-CRAIPNDOSA-N 1 3 313.445 2.069 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662525702 425674639 /nfs/dbraw/zinc/67/46/39/425674639.db2.gz WWHQIFWDDAHIOL-GOSISDBHSA-N 1 3 315.461 2.458 20 0 DEADHO FC(F)CN1CCCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662281132 425612968 /nfs/dbraw/zinc/61/29/68/425612968.db2.gz TZDWWLGSHJFIKU-UHFFFAOYSA-N 1 3 309.404 2.105 20 0 DEADHO CC[C@H]1CCCCN1C(=O)CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290595 425614002 /nfs/dbraw/zinc/61/40/02/425614002.db2.gz YHIPYSYKSZGVNC-MSOLQXFVSA-N 1 3 321.509 2.489 20 0 DEADHO O=C(CN1CCC[C@@H](C2CC[NH2+]CC2)C1)NC(C1CC1)C1CC1 ZINC000662295659 425616856 /nfs/dbraw/zinc/61/68/56/425616856.db2.gz HLGFPWXZSSPOOG-QGZVFWFLSA-N 1 3 319.493 2.003 20 0 DEADHO CN(C)C1(C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CCCCC1 ZINC000655690404 425630228 /nfs/dbraw/zinc/63/02/28/425630228.db2.gz NRGBDJLIEDTRBU-SFHVURJKSA-N 1 3 323.525 2.484 20 0 DEADHO C[C@H]1CCCN(C(C)(C)C[NH2+]C2CCN([C@@H]3CCOC3)CC2)C1 ZINC000655698738 425631391 /nfs/dbraw/zinc/63/13/91/425631391.db2.gz WCTCTEYPIDBLEV-FUHWJXTLSA-N 1 3 323.525 2.340 20 0 DEADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000655707422 425633610 /nfs/dbraw/zinc/63/36/10/425633610.db2.gz RFYRNIXYPWFQIH-SFNKJDCFSA-N 1 3 323.525 2.196 20 0 DEADHO CC(C)(C)N1CCC([NH2+]C2CCN([C@H]3CCOC3)CC2)CC1 ZINC000655725290 425638147 /nfs/dbraw/zinc/63/81/47/425638147.db2.gz RJNJHIPBVRGNER-KRWDZBQOSA-N 1 3 309.498 2.092 20 0 DEADHO CC[C@H](C)N(CC)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665763808 425640466 /nfs/dbraw/zinc/64/04/66/425640466.db2.gz MLDYCTSMACQEMN-GJZGRUSLSA-N 1 3 300.491 2.088 20 0 DEADHO CC[C@H](C)N(CC)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665763808 425640469 /nfs/dbraw/zinc/64/04/69/425640469.db2.gz MLDYCTSMACQEMN-GJZGRUSLSA-N 1 3 300.491 2.088 20 0 DEADHO CO[C@H](CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)C1CCCC1 ZINC000660118467 425743023 /nfs/dbraw/zinc/74/30/23/425743023.db2.gz UZLSBMJFJPOFDJ-BSDSXHPESA-N 1 3 310.482 2.375 20 0 DEADHO Cc1c(CN)c(NC(=O)CC[C@H]([NH3+])CC2CCCCC2)nn1C ZINC000662835963 425743439 /nfs/dbraw/zinc/74/34/39/425743439.db2.gz ROOJOQPQBKBPFK-AWEZNQCLSA-N 1 3 321.469 2.204 20 0 DEADHO O=C(Nc1ccc2c(c1)CNCCO2)c1cccc2c1C[NH2+]C2 ZINC000662564339 425682781 /nfs/dbraw/zinc/68/27/81/425682781.db2.gz PPNMNNZIUPFABF-UHFFFAOYSA-N 1 3 309.369 2.024 20 0 DEADHO Cc1cc(CN)cc(NC(=O)c2cc(C3CC[NH2+]CC3)no2)c1 ZINC000662581263 425685104 /nfs/dbraw/zinc/68/51/04/425685104.db2.gz YSCRDSXQCIHHPX-UHFFFAOYSA-N 1 3 314.389 2.161 20 0 DEADHO COC[C@@H]1CCCN1CC1(C[N@@H+]2CCC[C@H]2COC)CCC1 ZINC000659989887 425709953 /nfs/dbraw/zinc/70/99/53/425709953.db2.gz VIWKPAQBUISPBX-IRXDYDNUSA-N 1 3 310.482 2.378 20 0 DEADHO COC[C@@H]1CCCN1CC1(C[N@H+]2CCC[C@H]2COC)CCC1 ZINC000659989887 425709955 /nfs/dbraw/zinc/70/99/55/425709955.db2.gz VIWKPAQBUISPBX-IRXDYDNUSA-N 1 3 310.482 2.378 20 0 DEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662696391 425715511 /nfs/dbraw/zinc/71/55/11/425715511.db2.gz ZARRLNZMXIGLDL-CQSZACIVSA-N 1 3 307.482 2.275 20 0 DEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662696391 425715516 /nfs/dbraw/zinc/71/55/16/425715516.db2.gz ZARRLNZMXIGLDL-CQSZACIVSA-N 1 3 307.482 2.275 20 0 DEADHO C[C@H](CCCCO)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000666234760 425721586 /nfs/dbraw/zinc/72/15/86/425721586.db2.gz RWPLDFQIUCCPGY-QGZVFWFLSA-N 1 3 320.477 2.154 20 0 DEADHO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000662725970 425723253 /nfs/dbraw/zinc/72/32/53/425723253.db2.gz BWQIOTKRPSPAJF-VDHUWJSZSA-N 1 3 315.461 2.235 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc3c2CNC3)[C@H](C)C1 ZINC000662745328 425728785 /nfs/dbraw/zinc/72/87/85/425728785.db2.gz KLHYWFCGECDCTQ-DYVFJYSZSA-N 1 3 301.434 2.092 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc3c2CNC3)[C@H](C)C1 ZINC000662745328 425728787 /nfs/dbraw/zinc/72/87/87/425728787.db2.gz KLHYWFCGECDCTQ-DYVFJYSZSA-N 1 3 301.434 2.092 20 0 DEADHO O=C(NCC1CC[NH+](CC2CC2)CC1)c1ccc2c(c1)CNC2 ZINC000662971060 425768705 /nfs/dbraw/zinc/76/87/05/425768705.db2.gz BGBMXMKWUKHOGL-UHFFFAOYSA-N 1 3 313.445 2.142 20 0 DEADHO c1c([C@@H]2CCC[NH2+]C2)nnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000656455370 425773493 /nfs/dbraw/zinc/77/34/93/425773493.db2.gz FFJDQSHWXLPPOK-IAGOWNOFSA-N 1 3 311.433 2.192 20 0 DEADHO CCC[NH+]1CCC(NC(=O)NC[C@@H]2CCN2C(C)(C)C)CC1 ZINC000660249677 425775359 /nfs/dbraw/zinc/77/53/59/425775359.db2.gz BCAQCDCPLXKFKB-HNNXBMFYSA-N 1 3 310.486 2.033 20 0 DEADHO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc2c(c1)CNC2 ZINC000663002345 425776275 /nfs/dbraw/zinc/77/62/75/425776275.db2.gz DILQGFVJGGBSEJ-HNNXBMFYSA-N 1 3 313.445 2.142 20 0 DEADHO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2c(c1)CNC2 ZINC000663002345 425776278 /nfs/dbraw/zinc/77/62/78/425776278.db2.gz DILQGFVJGGBSEJ-HNNXBMFYSA-N 1 3 313.445 2.142 20 0 DEADHO CO[C@H](C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1)C1CCC1 ZINC000660277976 425780863 /nfs/dbraw/zinc/78/08/63/425780863.db2.gz WWCLIMJOCADUCG-GOSISDBHSA-N 1 3 323.525 2.151 20 0 DEADHO CC[NH+](CC)CCCNC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000660283690 425783193 /nfs/dbraw/zinc/78/31/93/425783193.db2.gz PKVWBICVDBDGLP-INIZCTEOSA-N 1 3 312.502 2.138 20 0 DEADHO [NH3+]CCCN(c1cccc(F)c1)C1CCN([C@@H]2CCOC2)CC1 ZINC000656256246 425746551 /nfs/dbraw/zinc/74/65/51/425746551.db2.gz WNLBHZRCLJCNFJ-GOSISDBHSA-N 1 3 321.440 2.234 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662843782 425747540 /nfs/dbraw/zinc/74/75/40/425747540.db2.gz USNVSTXAWZUCHC-BFYDXBDKSA-N 1 3 307.482 2.097 20 0 DEADHO CCC[C@@](C)([NH3+])C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000370766100 269082834 /nfs/dbraw/zinc/08/28/34/269082834.db2.gz JPWKBGSXGORALY-FUHWJXTLSA-N 1 3 303.450 2.237 20 0 DEADHO C[C@@H]1C[C@H](C)N(CCC(=O)Nc2ccccc2F)C[C@H]1C[NH3+] ZINC000397486151 269106446 /nfs/dbraw/zinc/10/64/46/269106446.db2.gz VAAPCHJBXMSHOB-HZSPNIEDSA-N 1 3 307.413 2.460 20 0 DEADHO CC[C@@H](COC)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397498588 269106560 /nfs/dbraw/zinc/10/65/60/269106560.db2.gz SWHGDWZLDDQVKH-KRWDZBQOSA-N 1 3 306.450 2.028 20 0 DEADHO C[C@@H](CCNC(=O)[C@@H](N)C1CCC1)[N@H+](C)Cc1ccccc1 ZINC000398979705 269110362 /nfs/dbraw/zinc/11/03/62/269110362.db2.gz DOGMWRNDZLQRMS-YOEHRIQHSA-N 1 3 303.450 2.141 20 0 DEADHO C[C@@H](CCNC(=O)[C@@H](N)C1CCC1)[N@@H+](C)Cc1ccccc1 ZINC000398979705 269110363 /nfs/dbraw/zinc/11/03/63/269110363.db2.gz DOGMWRNDZLQRMS-YOEHRIQHSA-N 1 3 303.450 2.141 20 0 DEADHO CN(CCCNC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000496728098 269245531 /nfs/dbraw/zinc/24/55/31/269245531.db2.gz QHDQIYOCHFBIRL-YIONKMFJSA-N 1 3 311.470 2.458 20 0 DEADHO CN(CCCNC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000496728098 269245532 /nfs/dbraw/zinc/24/55/32/269245532.db2.gz QHDQIYOCHFBIRL-YIONKMFJSA-N 1 3 311.470 2.458 20 0 DEADHO CC(C)COC(=O)N1CCC([NH2+][C@H](C)[C@H]2CCCNC2)CC1 ZINC000497208426 269294025 /nfs/dbraw/zinc/29/40/25/269294025.db2.gz KFDWFHQEIFXYNB-CABCVRRESA-N 1 3 311.470 2.221 20 0 DEADHO [NH3+][C@H]1CCC[C@H](CNC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC000517100531 269377824 /nfs/dbraw/zinc/37/78/24/269377824.db2.gz VNBZYAVOGILPGO-HOTGVXAUSA-N 1 3 322.497 2.164 20 0 DEADHO O=c1[nH]c2ccccc2n1C1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420296919 275062348 /nfs/dbraw/zinc/06/23/48/275062348.db2.gz CPVNGGNLXYIOFI-AWEZNQCLSA-N 1 3 314.433 2.378 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000343582055 276008442 /nfs/dbraw/zinc/00/84/42/276008442.db2.gz ZBVLULCEMUOKIO-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000343582055 276008444 /nfs/dbraw/zinc/00/84/44/276008444.db2.gz ZBVLULCEMUOKIO-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[NH+](CC)CCCNC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000291445995 276325281 /nfs/dbraw/zinc/32/52/81/276325281.db2.gz LEVNSCADOKYMHW-JKSUJKDBSA-N 1 3 318.417 2.139 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000104134286 276365521 /nfs/dbraw/zinc/36/55/21/276365521.db2.gz ADMXHCXUDQVANE-IRXDYDNUSA-N 1 3 303.450 2.280 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000423213953 278057376 /nfs/dbraw/zinc/05/73/76/278057376.db2.gz KTOAPDGGQQFERD-KKUMJFAQSA-N 1 3 319.449 2.390 20 0 DEADHO C[C@H](C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[C@@H](N)c1ccccc1 ZINC000178809211 278143480 /nfs/dbraw/zinc/14/34/80/278143480.db2.gz QWPNELQOBUMUBE-LZLYRXPVSA-N 1 3 315.461 2.267 20 0 DEADHO C[C@H](CNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)N(C)C1CC1 ZINC000105088956 278202429 /nfs/dbraw/zinc/20/24/29/278202429.db2.gz WQOKJTIAHAUYNO-LSDHHAIUSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H](CNC(=O)NCCC[N@H+]1CCCC[C@@H]1C)N(C)C1CC1 ZINC000105088956 278202432 /nfs/dbraw/zinc/20/24/32/278202432.db2.gz WQOKJTIAHAUYNO-LSDHHAIUSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H](Cc1c(Cl)cccc1Cl)NC[C@@H]1C[NH2+]CCN1C ZINC000414976824 278296788 /nfs/dbraw/zinc/29/67/88/278296788.db2.gz ORSHZXCRVJQTOA-RYUDHWBXSA-N 1 3 316.276 2.418 20 0 DEADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000305765860 288103203 /nfs/dbraw/zinc/10/32/03/288103203.db2.gz FHIRZEOEQNTEJN-VKSUQKOCSA-N 1 3 323.525 2.073 20 0 DEADHO C[C@H](C(=O)N(C)C)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000246040676 279182313 /nfs/dbraw/zinc/18/23/13/279182313.db2.gz OXMSRYDMQLDKPZ-HZPDHXFCSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H](C(=O)N(C)C)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000246040676 279182315 /nfs/dbraw/zinc/18/23/15/279182315.db2.gz OXMSRYDMQLDKPZ-HZPDHXFCSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H](C(=O)NC1CCCCC1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420340617 279221716 /nfs/dbraw/zinc/22/17/16/279221716.db2.gz MWQFUYOQGJEQIN-PMPSAXMXSA-N 1 3 307.482 2.145 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+](CC)C[C@H](C)O)CC1 ZINC000348699169 279240291 /nfs/dbraw/zinc/24/02/91/279240291.db2.gz ARHPMEULMVBIQT-INIZCTEOSA-N 1 3 305.466 2.031 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+](CC)C[C@H](C)O)CC1 ZINC000348699169 279240295 /nfs/dbraw/zinc/24/02/95/279240295.db2.gz ARHPMEULMVBIQT-INIZCTEOSA-N 1 3 305.466 2.031 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000245879669 279266871 /nfs/dbraw/zinc/26/68/71/279266871.db2.gz ADMXHCXUDQVANE-IAGOWNOFSA-N 1 3 303.450 2.280 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000417972058 279281599 /nfs/dbraw/zinc/28/15/99/279281599.db2.gz BAKHQTZZRSMJPX-NVXWUHKLSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@@H]1CN(CC2CC[NH+](CC3CCOCC3)CC2)C[C@H](C)O1 ZINC000112697554 288152647 /nfs/dbraw/zinc/15/26/47/288152647.db2.gz FXABHANNOCCEKE-IYBDPMFKSA-N 1 3 310.482 2.234 20 0 DEADHO CC(C)[C@@H](C[NH3+])C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000423751989 279836439 /nfs/dbraw/zinc/83/64/39/279836439.db2.gz AMGXXYDKIPXDMO-HUUCEWRRSA-N 1 3 311.857 2.290 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)C1=CCN(C)CC1)[NH+]1CCCCC1 ZINC000358377967 280177506 /nfs/dbraw/zinc/17/75/06/280177506.db2.gz MZRNNIGUPMHWCN-DOTOQJQBSA-N 1 3 307.482 2.264 20 0 DEADHO CN1CCN(CCCC[NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000119640755 281726497 /nfs/dbraw/zinc/72/64/97/281726497.db2.gz HISIEYZBONYCJT-UHFFFAOYSA-N 1 3 305.510 2.428 20 0 DEADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000423763491 288355444 /nfs/dbraw/zinc/35/54/44/288355444.db2.gz RPQJEOJZVMNFJP-DLBZAZTESA-N 1 3 321.440 2.104 20 0 DEADHO CCCNC(=O)[C@H](C)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121907670 281764900 /nfs/dbraw/zinc/76/49/00/281764900.db2.gz QWDOUOBMNFHWSJ-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CC1CCN([C@H](CNC(=O)CCC[NH3+])c2ccccc2)CC1 ZINC000165731669 281836044 /nfs/dbraw/zinc/83/60/44/281836044.db2.gz FHCODMODPIPRCO-QGZVFWFLSA-N 1 3 303.450 2.315 20 0 DEADHO CCC(C)(C)NC(=O)[C@H](C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374075146 282001905 /nfs/dbraw/zinc/00/19/05/282001905.db2.gz QMCOXMFNXQPQSA-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)CC1(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCC1 ZINC000367174113 282078067 /nfs/dbraw/zinc/07/80/67/282078067.db2.gz PGUGSUDNXCPMQR-HNNXBMFYSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C)CC1(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCC1 ZINC000367174113 282078069 /nfs/dbraw/zinc/07/80/69/282078069.db2.gz PGUGSUDNXCPMQR-HNNXBMFYSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C)C(=O)[C@H](c1ccccc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420334993 289015736 /nfs/dbraw/zinc/01/57/36/289015736.db2.gz HAMSAZDKBOHTJD-MSOLQXFVSA-N 1 3 315.461 2.280 20 0 DEADHO C[C@H](CC[NH+](C)C)NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000287229914 289471516 /nfs/dbraw/zinc/47/15/16/289471516.db2.gz NWPDFEPXRBEXFI-CZUORRHYSA-N 1 3 324.444 2.068 20 0 DEADHO C[C@H]1CC2(CN1CC(=O)N[C@H]1CCCC[C@H]1C)CC[NH2+]CC2 ZINC000424295124 290363988 /nfs/dbraw/zinc/36/39/88/290363988.db2.gz QRUCOASSXKTDLJ-PMPSAXMXSA-N 1 3 307.482 2.145 20 0 DEADHO CO[C@@]1(C)C[C@H]([NH2+]CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000451495671 294165208 /nfs/dbraw/zinc/16/52/08/294165208.db2.gz TWRBSZYMZRFLAO-WMZOPIPTSA-N 1 3 311.514 2.196 20 0 DEADHO [NH3+]CC1(CC(=O)N2CC[C@H](N3CCCCC3)C2)CCCCC1 ZINC000262077357 295222560 /nfs/dbraw/zinc/22/25/60/295222560.db2.gz GRHWPGWQQMXLMD-INIZCTEOSA-N 1 3 307.482 2.373 20 0 DEADHO COc1ccc([C@H](NC2CCN(C)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422786742 295244378 /nfs/dbraw/zinc/24/43/78/295244378.db2.gz QPKWVKLPJOHGHP-ROUUACIJSA-N 1 3 303.450 2.172 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000422901214 295255818 /nfs/dbraw/zinc/25/58/18/295255818.db2.gz KQWVIGAWQIGANN-XIRDDKMYSA-N 1 3 317.433 2.021 20 0 DEADHO [NH3+][C@@H]1CCCC[C@H]1CC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000449520788 295299292 /nfs/dbraw/zinc/29/92/92/295299292.db2.gz QEQISTWJXHJKGA-SMDDNHRTSA-N 1 3 305.397 2.318 20 0 DEADHO COc1ccccc1[C@@H]1CNCCN1CC[C@H]1CCC[NH2+]C1 ZINC000420319143 295393847 /nfs/dbraw/zinc/39/38/47/295393847.db2.gz XEPBFIFUDRDMLB-WBVHZDCISA-N 1 3 303.450 2.031 20 0 DEADHO C[C@H](C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CCCCCC1 ZINC000449198493 298031357 /nfs/dbraw/zinc/03/13/57/298031357.db2.gz BWDDGDLJOBMVEI-IXDOHACOSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H](C(=O)N1CCC[C@H]1C[NH+]1CCCC1)N1[C@H](C)CC[C@@H]1C ZINC000412050560 298040067 /nfs/dbraw/zinc/04/00/67/298040067.db2.gz YTIRFVDWVLPOEO-TWMKSMIVSA-N 1 3 307.482 2.335 20 0 DEADHO C[C@H](C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000339731449 298083216 /nfs/dbraw/zinc/08/32/16/298083216.db2.gz NEHXOYVPPTUXLO-HPFXQQBRSA-N 1 3 321.509 2.438 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000416835676 298396510 /nfs/dbraw/zinc/39/65/10/298396510.db2.gz FUJQWBDWAOCRSV-ZIAGYGMSSA-N 1 3 324.494 2.312 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](C(C)C)CCC1(F)F)N(C)C ZINC001423721749 1173511321 /nfs/dbraw/zinc/51/13/21/1173511321.db2.gz AAGMGBLUIGBVHV-KGLIPLIRSA-N 1 3 319.440 2.054 20 0 DEADHO CN(C)[C@H](CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21)c1ccccc1 ZINC000325673170 325756404 /nfs/dbraw/zinc/75/64/04/325756404.db2.gz MGJRTPIJNSCRPL-RTBURBONSA-N 1 3 323.440 2.293 20 0 DEADHO CC(C)[C@H](CNC(=O)[C@H]1CCCCCN1)[NH+]1CCC(C)CC1 ZINC000567616314 325830201 /nfs/dbraw/zinc/83/02/01/325830201.db2.gz ZJIQVVHDELXXQJ-SJORKVTESA-N 1 3 309.498 2.391 20 0 DEADHO CCC[N@@H+]1CC[C@@H](CNCCC(=O)Nc2cccc(F)c2)C1 ZINC000574983092 326206971 /nfs/dbraw/zinc/20/69/71/326206971.db2.gz XSGUCLIGMSACPY-AWEZNQCLSA-N 1 3 307.413 2.476 20 0 DEADHO CCC[N@H+]1CC[C@@H](CNCCC(=O)Nc2cccc(F)c2)C1 ZINC000574983092 326206974 /nfs/dbraw/zinc/20/69/74/326206974.db2.gz XSGUCLIGMSACPY-AWEZNQCLSA-N 1 3 307.413 2.476 20 0 DEADHO CCCN1CC[C@@H](C[NH2+]CCC(=O)Nc2cccc(F)c2)C1 ZINC000574983092 326206975 /nfs/dbraw/zinc/20/69/75/326206975.db2.gz XSGUCLIGMSACPY-AWEZNQCLSA-N 1 3 307.413 2.476 20 0 DEADHO COc1cccc([C@@H](CNC(=O)CCCC[NH3+])N2CCCC2)c1 ZINC000576513757 326298735 /nfs/dbraw/zinc/29/87/35/326298735.db2.gz QUITWGQXDJKIHX-QGZVFWFLSA-N 1 3 319.449 2.077 20 0 DEADHO NCc1cc(NC(=O)CC[NH2+]C2CC2)cc(C(F)(F)F)c1 ZINC000580328031 333195566 /nfs/dbraw/zinc/19/55/66/333195566.db2.gz IIXWHXRZSXGIIC-UHFFFAOYSA-N 1 3 301.312 2.245 20 0 DEADHO CC(C)[NH2+]CCC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000583628698 336000740 /nfs/dbraw/zinc/00/07/40/336000740.db2.gz QTDKVTSSUHRBOD-UHFFFAOYSA-N 1 3 317.477 2.198 20 0 DEADHO C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000582243409 336392291 /nfs/dbraw/zinc/39/22/91/336392291.db2.gz MFNAIZIISDRPHG-HOCLYGCPSA-N 1 3 303.450 2.171 20 0 DEADHO C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000582243409 336392292 /nfs/dbraw/zinc/39/22/92/336392292.db2.gz MFNAIZIISDRPHG-HOCLYGCPSA-N 1 3 303.450 2.171 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000582656020 337121583 /nfs/dbraw/zinc/12/15/83/337121583.db2.gz IEMDWGZLYFTKJE-HUUCEWRRSA-N 1 3 310.486 2.020 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000583861348 337353398 /nfs/dbraw/zinc/35/33/98/337353398.db2.gz QKWQCXDZGOWLAI-YOEHRIQHSA-N 1 3 303.450 2.145 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000584523781 337355222 /nfs/dbraw/zinc/35/52/22/337355222.db2.gz QPBDBCBGHGUGDE-NUEKZKHPSA-N 1 3 302.422 2.010 20 0 DEADHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000584523781 337355223 /nfs/dbraw/zinc/35/52/23/337355223.db2.gz QPBDBCBGHGUGDE-NUEKZKHPSA-N 1 3 302.422 2.010 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CCC(F)(F)F)C1 ZINC001376352498 1159353645 /nfs/dbraw/zinc/35/36/45/1159353645.db2.gz YKELIROEBBXJSK-STQMWFEESA-N 1 3 323.403 2.107 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001376606691 1159593440 /nfs/dbraw/zinc/59/34/40/1159593440.db2.gz CBSXATMFOKHUTP-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@@H]1CCC[N@H+](CCCF)C1 ZINC001376613710 1159601731 /nfs/dbraw/zinc/60/17/31/1159601731.db2.gz AAQMLVNWGOTCNF-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@@H]1CCC[N@@H+](CCCF)C1 ZINC001376613710 1159601765 /nfs/dbraw/zinc/60/17/65/1159601765.db2.gz AAQMLVNWGOTCNF-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CCC(F)(F)F)[C@H](C)C1 ZINC001377375519 1160301255 /nfs/dbraw/zinc/30/12/55/1160301255.db2.gz AZRVEYZIKAVVIZ-CHWSQXEVSA-N 1 3 323.403 2.250 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC(C)C2)C1 ZINC001377781506 1160820940 /nfs/dbraw/zinc/82/09/40/1160820940.db2.gz IRYGGGDRDBGGAQ-CGZBRXJRSA-N 1 3 309.498 2.153 20 0 DEADHO C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1C[NH+](CC2CCCC2)C1 ZINC001378538260 1152368109 /nfs/dbraw/zinc/36/81/09/1152368109.db2.gz YEBSRQKNZWXIJW-OAHLLOKOSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](NC(=O)[C@H](C)N1CCCCCC1)C1C[NH+](CC2CCC2)C1 ZINC001378557923 1152375572 /nfs/dbraw/zinc/37/55/72/1152375572.db2.gz KWJUNCMGOAQYKT-HOTGVXAUSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N(CCN(C)Cc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001369532451 1149023896 /nfs/dbraw/zinc/02/38/96/1149023896.db2.gz NNJUFUXKDSICDG-GOSISDBHSA-N 1 3 317.477 2.307 20 0 DEADHO CC(C)N(CCN(C)Cc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001369532451 1149023901 /nfs/dbraw/zinc/02/39/01/1149023901.db2.gz NNJUFUXKDSICDG-GOSISDBHSA-N 1 3 317.477 2.307 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1)N(C)C ZINC001398992725 1161180207 /nfs/dbraw/zinc/18/02/07/1161180207.db2.gz ZXMVJNNXSXHJKE-NVXWUHKLSA-N 1 3 305.466 2.238 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1C ZINC001378622974 1152398160 /nfs/dbraw/zinc/39/81/60/1152398160.db2.gz KILPZXNYTCSFON-ZDUSSCGKSA-N 1 3 314.433 2.111 20 0 DEADHO C[C@H](NC(=O)CN1CC[C@@H](C)C1)C1CC[NH+](CCC2CC2)CC1 ZINC001369571005 1149044364 /nfs/dbraw/zinc/04/43/64/1149044364.db2.gz WUEPPPYMGQCAAO-CVEARBPZSA-N 1 3 321.509 2.345 20 0 DEADHO CN(CC(=O)NCC1([NH2+]C/C=C\Cl)CCCC1)C1CCC1 ZINC001378695734 1152417428 /nfs/dbraw/zinc/41/74/28/1152417428.db2.gz YYXRYBNFXMMZCA-YHYXMXQVSA-N 1 3 313.873 2.242 20 0 DEADHO CC(C)[C@H](C(=O)NCC1([NH2+]C/C=C\Cl)CCCC1)N(C)C ZINC001378712880 1152420987 /nfs/dbraw/zinc/42/09/87/1152420987.db2.gz BCZHGGZRDWSACX-JKEYDSJLSA-N 1 3 315.889 2.344 20 0 DEADHO C[C@H](C[NH2+]CC1CC2(CCC2)C1)N(C)C(=O)[C@@H]1CCCN1C ZINC001378747568 1152433902 /nfs/dbraw/zinc/43/39/02/1152433902.db2.gz AVSUKUNEUCHUHX-ZBFHGGJFSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)N1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000417713864 533783879 /nfs/dbraw/zinc/78/38/79/533783879.db2.gz YSONCDVXUXUWAB-LSDHHAIUSA-N 1 3 318.465 2.106 20 0 DEADHO COc1ccc(Cl)cc1NC(=O)CCN[C@H](C)C[C@H](C)[NH3+] ZINC000422827321 533871465 /nfs/dbraw/zinc/87/14/65/533871465.db2.gz SDCBQXUQXIBESD-WDEREUQCSA-N 1 3 313.829 2.393 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(CN2CCCC2=O)cc1 ZINC000422721657 534069249 /nfs/dbraw/zinc/06/92/49/534069249.db2.gz VYRWFSXJZGYNJN-QAPCUYQASA-N 1 3 315.461 2.287 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NC(C)(C)CC[NH3+])C1 ZINC000422590772 534106293 /nfs/dbraw/zinc/10/62/93/534106293.db2.gz BBLOWCINHIXRJU-GOEBONIOSA-N 1 3 318.465 2.249 20 0 DEADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC1(C(=O)N(C)C)CCCC1 ZINC000422738027 534176870 /nfs/dbraw/zinc/17/68/70/534176870.db2.gz YHNSPBONRGRNAV-DOTOQJQBSA-N 1 3 317.477 2.183 20 0 DEADHO C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC[C@H](CC[NH3+])C1 ZINC000443056864 534291956 /nfs/dbraw/zinc/29/19/56/534291956.db2.gz DOMKZTFMFFDCQT-HUUCEWRRSA-N 1 3 321.440 2.233 20 0 DEADHO OCC1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC(c2ccccc2)C1 ZINC000423084395 534344613 /nfs/dbraw/zinc/34/46/13/534344613.db2.gz HVPRFDBAVFKKPH-IWTAKMAVSA-N 1 3 300.446 2.415 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCN(C)CC(F)(F)F ZINC000422866922 534349319 /nfs/dbraw/zinc/34/93/19/534349319.db2.gz RDNJXIJKNAHFDN-LLVKDONJSA-N 1 3 318.387 2.384 20 0 DEADHO CC(C)[N@H+](C)CCNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000111494126 519621242 /nfs/dbraw/zinc/62/12/42/519621242.db2.gz LRUYBXNOJVLMLG-INIZCTEOSA-N 1 3 320.481 2.146 20 0 DEADHO CC(C)[N@@H+](C)CCNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000111494126 519621246 /nfs/dbraw/zinc/62/12/46/519621246.db2.gz LRUYBXNOJVLMLG-INIZCTEOSA-N 1 3 320.481 2.146 20 0 DEADHO CC(C)[C@H](CNC(=O)NCCN1CCC(C)CC1)[NH+]1CCCC1 ZINC000105127443 519815476 /nfs/dbraw/zinc/81/54/76/519815476.db2.gz WZCVCFLPHISDBP-KRWDZBQOSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)C[NH+]1CCCC1 ZINC000155850032 524467831 /nfs/dbraw/zinc/46/78/31/524467831.db2.gz LUXWMLRQIJNMKZ-OAHLLOKOSA-N 1 3 303.450 2.210 20 0 DEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)C(C)C)CC1 ZINC000299506167 534813369 /nfs/dbraw/zinc/81/33/69/534813369.db2.gz PXZNWQFRMFUQPV-UHFFFAOYSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1ccc(OC(F)F)c(CNCCOCC[NH+](C)C)c1 ZINC000354184700 525368510 /nfs/dbraw/zinc/36/85/10/525368510.db2.gz DLKBEIHIMUOUKK-UHFFFAOYSA-N 1 3 302.365 2.264 20 0 DEADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCNC(C)(C)C2)c1 ZINC000417405256 527842262 /nfs/dbraw/zinc/84/22/62/527842262.db2.gz PIZYBLUBWXWWLP-UHFFFAOYSA-N 1 3 318.465 2.032 20 0 DEADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCNC(C)(C)C2)c1 ZINC000417405256 527842263 /nfs/dbraw/zinc/84/22/63/527842263.db2.gz PIZYBLUBWXWWLP-UHFFFAOYSA-N 1 3 318.465 2.032 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)NC[C@@H]([NH3+])C(C)C)cc1 ZINC000418357198 528143829 /nfs/dbraw/zinc/14/38/29/528143829.db2.gz QQDNZJFSWXMRMJ-HZPDHXFCSA-N 1 3 306.454 2.092 20 0 DEADHO CCCCNC(=O)c1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422948061 528551608 /nfs/dbraw/zinc/55/16/08/528551608.db2.gz ZIHRORCGFATULR-SJORKVTESA-N 1 3 303.450 2.434 20 0 DEADHO CCN(Cc1ccc(C(=O)N2CCC(C[NH3+])CC2)cc1)C1CC1 ZINC000428119690 528772559 /nfs/dbraw/zinc/77/25/59/528772559.db2.gz GZRCHYJBFGZHEP-UHFFFAOYSA-N 1 3 315.461 2.482 20 0 DEADHO CCN(Cc1ccc(C(=O)N2CC[C@@H]([NH2+]C)C2)cc1)C1CC1 ZINC000428430396 528773648 /nfs/dbraw/zinc/77/36/48/528773648.db2.gz MGJIZNUIARNUQW-MRXNPFEDSA-N 1 3 301.434 2.105 20 0 DEADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000295025834 528815577 /nfs/dbraw/zinc/81/55/77/528815577.db2.gz NOZLFZOYMSGLCM-CJNGLKHVSA-N 1 3 305.397 2.044 20 0 DEADHO CCCC[C@H](C[NH3+])NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000418447378 528935261 /nfs/dbraw/zinc/93/52/61/528935261.db2.gz PJJLEQKHCHVWCJ-QGZVFWFLSA-N 1 3 320.481 2.277 20 0 DEADHO CC(C)[C@H]([NH3+])CNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000417221753 529064359 /nfs/dbraw/zinc/06/43/59/529064359.db2.gz OQZQKTKCKCDFTI-BHYGNILZSA-N 1 3 318.465 2.104 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C/c1ccco1 ZINC000299731351 529070818 /nfs/dbraw/zinc/07/08/18/529070818.db2.gz YLYJZVRONAACIV-ZNFPLGDCSA-N 1 3 319.449 2.167 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C/c1ccco1 ZINC000299731351 529070822 /nfs/dbraw/zinc/07/08/22/529070822.db2.gz YLYJZVRONAACIV-ZNFPLGDCSA-N 1 3 319.449 2.167 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccsc1 ZINC000299578831 529070986 /nfs/dbraw/zinc/07/09/86/529070986.db2.gz AXYANGKIADGEQF-MRXNPFEDSA-N 1 3 323.506 2.165 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccsc1 ZINC000299578831 529070992 /nfs/dbraw/zinc/07/09/92/529070992.db2.gz AXYANGKIADGEQF-MRXNPFEDSA-N 1 3 323.506 2.165 20 0 DEADHO CCN1CCN(Cc2ccccc2CN[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000422893170 529149714 /nfs/dbraw/zinc/14/97/14/529149714.db2.gz PDTCOJJVIANFAN-IRXDYDNUSA-N 1 3 318.509 2.040 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC(CC[NH2+]C)CC1 ZINC000417701345 529272382 /nfs/dbraw/zinc/27/23/82/529272382.db2.gz MSCCLFGVQYSPIV-QGZVFWFLSA-N 1 3 324.513 2.282 20 0 DEADHO CC(C)[NH+](CCN(C)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)C(C)C ZINC000355943499 535059738 /nfs/dbraw/zinc/05/97/38/535059738.db2.gz MVZXBUXHGHFQKZ-HOTGVXAUSA-N 1 3 324.513 2.372 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000246739407 535132220 /nfs/dbraw/zinc/13/22/20/535132220.db2.gz AXFZURZIKNNIRQ-SJORKVTESA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000246739407 535132227 /nfs/dbraw/zinc/13/22/27/535132227.db2.gz AXFZURZIKNNIRQ-SJORKVTESA-N 1 3 324.513 2.138 20 0 DEADHO CCN1CCC(NC(=O)N(C)CC[NH+](C(C)C)C(C)C)CC1 ZINC000355932904 535466030 /nfs/dbraw/zinc/46/60/30/535466030.db2.gz DNGFDCCQOWOJRV-UHFFFAOYSA-N 1 3 312.502 2.231 20 0 DEADHO CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H](C)NC2CC2)cc1 ZINC000449084442 535555494 /nfs/dbraw/zinc/55/54/94/535555494.db2.gz XXTOCTCPMNZWGU-CQSZACIVSA-N 1 3 319.449 2.486 20 0 DEADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]CCCN1CCOCC1 ZINC000348325869 535593662 /nfs/dbraw/zinc/59/36/62/535593662.db2.gz XJYHVRDTYNYKGP-QZTJIDSGSA-N 1 3 311.514 2.199 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000360079795 535601189 /nfs/dbraw/zinc/60/11/89/535601189.db2.gz UHUPLAMJALRVQU-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000360079795 535601193 /nfs/dbraw/zinc/60/11/93/535601193.db2.gz UHUPLAMJALRVQU-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO CCN(Cc1ccc(C(=O)NC[C@@H]([NH3+])C2CC2)cc1)C1CC1 ZINC000261939304 535782391 /nfs/dbraw/zinc/78/23/91/535782391.db2.gz MTUCOXYDFBDVPB-QGZVFWFLSA-N 1 3 301.434 2.138 20 0 DEADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@H](Cc1ccccc1)[NH+](CC)CC ZINC000262184421 535847373 /nfs/dbraw/zinc/84/73/73/535847373.db2.gz SNBDIHWSSXAJHW-RYQLBKOJSA-N 1 3 319.493 2.429 20 0 DEADHO CN(C)Cc1ccc(-c2noc(CC[C@H]3CC[NH2+]C3)n2)cc1 ZINC000261828664 535994078 /nfs/dbraw/zinc/99/40/78/535994078.db2.gz RDBVCJKYYXPRNC-ZDUSSCGKSA-N 1 3 300.406 2.340 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000362762197 536041448 /nfs/dbraw/zinc/04/14/48/536041448.db2.gz GSCHPGQYWBNNLG-QGZVFWFLSA-N 1 3 315.461 2.449 20 0 DEADHO CN(C)C[C@@H]1CC[N@H+](CC2(c3ccc4c(c3)OCO4)CC2)C1 ZINC001414137907 1152565863 /nfs/dbraw/zinc/56/58/63/1152565863.db2.gz VOJAZDYXXOVKFJ-AWEZNQCLSA-N 1 3 302.418 2.330 20 0 DEADHO CN(C)C[C@@H]1CC[N@@H+](CC2(c3ccc4c(c3)OCO4)CC2)C1 ZINC001414137907 1152565869 /nfs/dbraw/zinc/56/58/69/1152565869.db2.gz VOJAZDYXXOVKFJ-AWEZNQCLSA-N 1 3 302.418 2.330 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+][C@@H]2CCC[C@H]2CCO)CC1 ZINC001414145214 1152573153 /nfs/dbraw/zinc/57/31/53/1152573153.db2.gz LAWMYDZSTCOTLP-PBHCIXSXSA-N 1 3 310.482 2.161 20 0 DEADHO CN(CCc1cccs1)CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001379125887 1152576021 /nfs/dbraw/zinc/57/60/21/1152576021.db2.gz KHEONJZJNTUZBN-HNNXBMFYSA-N 1 3 323.506 2.023 20 0 DEADHO CN(CCc1cccs1)CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001379125887 1152576023 /nfs/dbraw/zinc/57/60/23/1152576023.db2.gz KHEONJZJNTUZBN-HNNXBMFYSA-N 1 3 323.506 2.023 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)cc1C ZINC001379416643 1152621590 /nfs/dbraw/zinc/62/15/90/1152621590.db2.gz IOVGBQWXIVZUEI-SJLPKXTDSA-N 1 3 319.493 2.484 20 0 DEADHO Cc1cccc(C)c1C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001379451240 1152626263 /nfs/dbraw/zinc/62/62/63/1152626263.db2.gz RWYPITXELUNEAL-SJLPKXTDSA-N 1 3 319.493 2.484 20 0 DEADHO CC[C@H](C(=O)NC1CC(C[NH2+]Cc2ccccc2F)C1)N(C)C ZINC001368813062 1148682175 /nfs/dbraw/zinc/68/21/75/1148682175.db2.gz XJCHTHKRPGQIGY-PUJMQQBBSA-N 1 3 321.440 2.150 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC1CC(F)(F)C1 ZINC001379511323 1152635116 /nfs/dbraw/zinc/63/51/16/1152635116.db2.gz RZALMRACSMKRDT-GXTWGEPZSA-N 1 3 317.424 2.000 20 0 DEADHO Cc1cc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CN(C)C(C)C)C2)cs1 ZINC001379593004 1152648357 /nfs/dbraw/zinc/64/83/57/1152648357.db2.gz XGWNKRNPQYBHTQ-CJNGLKHVSA-N 1 3 323.506 2.476 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(CF)cc1 ZINC001379601457 1152649820 /nfs/dbraw/zinc/64/98/20/1152649820.db2.gz QTRAVEYTGCVCSH-AWEZNQCLSA-N 1 3 309.429 2.091 20 0 DEADHO CC[C@@H](C(=O)NC1CC(C[NH2+]Cc2cccc(C)c2)C1)N(C)C ZINC001368817581 1148685973 /nfs/dbraw/zinc/68/59/73/1148685973.db2.gz BHCHLSVDLOLQDL-ABHNRTSZSA-N 1 3 317.477 2.320 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccccc1 ZINC001368816757 1148686504 /nfs/dbraw/zinc/68/65/04/1148686504.db2.gz QKJXWXJJMRHPNN-SFHVURJKSA-N 1 3 317.477 2.451 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccccc1 ZINC001368816757 1148686513 /nfs/dbraw/zinc/68/65/13/1148686513.db2.gz QKJXWXJJMRHPNN-SFHVURJKSA-N 1 3 317.477 2.451 20 0 DEADHO CC[C@H](C(=O)N(C)[C@@H](C[NH2+]CC1CCCC1)C1CC1)N(C)C ZINC001382038296 1153326919 /nfs/dbraw/zinc/32/69/19/1153326919.db2.gz YTFHSGIEAMYAFU-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CCNC(=O)c1ccc(CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925545830 625306930 /nfs/dbraw/zinc/30/69/30/625306930.db2.gz CHGPJPDGLSHMTR-JKSUJKDBSA-N 1 3 303.450 2.432 20 0 DEADHO CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001008053540 625317664 /nfs/dbraw/zinc/31/76/64/625317664.db2.gz VJBIRNPDMHIEBI-SJORKVTESA-N 1 3 307.482 2.242 20 0 DEADHO CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001008053540 625317686 /nfs/dbraw/zinc/31/76/86/625317686.db2.gz VJBIRNPDMHIEBI-SJORKVTESA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001023632129 625363636 /nfs/dbraw/zinc/36/36/36/625363636.db2.gz DVGAIHIRANEHSW-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001023632129 625363640 /nfs/dbraw/zinc/36/36/40/625363640.db2.gz DVGAIHIRANEHSW-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]12 ZINC001026385860 625394083 /nfs/dbraw/zinc/39/40/83/625394083.db2.gz IGNPZDUITYZWCF-KZNAEPCWSA-N 1 3 321.509 2.201 20 0 DEADHO CC(C)(C(=O)NC1CCC([NH2+]CC2CC2)CC1)N1CCCC1 ZINC001026540273 625508677 /nfs/dbraw/zinc/50/86/77/625508677.db2.gz FLAVJYVCGGMOGD-UHFFFAOYSA-N 1 3 307.482 2.288 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@H](C[NH2+]CC2CCCC2)C1)C1CC1 ZINC001024018771 625545769 /nfs/dbraw/zinc/54/57/69/625545769.db2.gz SKHHGPAHOKMXFR-SJLPKXTDSA-N 1 3 321.509 2.345 20 0 DEADHO CC1(C)[C@@H](N[C@@H](CCO)Cc2ccccc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925661401 625565094 /nfs/dbraw/zinc/56/50/94/625565094.db2.gz DDJXPZWKKXDKSJ-MHORFTMASA-N 1 3 302.462 2.346 20 0 DEADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+][C@@H](CCO)Cc1ccccc1 ZINC000925661401 625565107 /nfs/dbraw/zinc/56/51/07/625565107.db2.gz DDJXPZWKKXDKSJ-MHORFTMASA-N 1 3 302.462 2.346 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000969595208 622836911 /nfs/dbraw/zinc/83/69/11/622836911.db2.gz OINHVGUTSPKHDT-LZLYRXPVSA-N 1 3 315.461 2.341 20 0 DEADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)cs1 ZINC000969956500 623023179 /nfs/dbraw/zinc/02/31/79/623023179.db2.gz XGPIZBXDFSDCBP-XJKSGUPXSA-N 1 3 321.490 2.089 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001020980557 623236001 /nfs/dbraw/zinc/23/60/01/623236001.db2.gz NOMSKACPUGQJNU-WKILWMFISA-N 1 3 316.449 2.388 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCC2)C1 ZINC001021093972 623337518 /nfs/dbraw/zinc/33/75/18/623337518.db2.gz JFLJFHHDHNXJFU-ULQDDVLXSA-N 1 3 307.482 2.288 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CC3CCCCC3)C2)CC1 ZINC000970335084 623408070 /nfs/dbraw/zinc/40/80/70/623408070.db2.gz NIPDVQYHPQODLI-GOSISDBHSA-N 1 3 321.509 2.489 20 0 DEADHO CN(CC(=O)N1CCC[C@H]2C[N@H+](CC3CC3)CC[C@H]21)C1CCC1 ZINC001021605819 623822603 /nfs/dbraw/zinc/82/26/03/623822603.db2.gz NSALEXTTWKVJEH-FUHWJXTLSA-N 1 3 319.493 2.194 20 0 DEADHO CN(CC(=O)N1CCC[C@H]2C[N@@H+](CC3CC3)CC[C@H]21)C1CCC1 ZINC001021605819 623822612 /nfs/dbraw/zinc/82/26/12/623822612.db2.gz NSALEXTTWKVJEH-FUHWJXTLSA-N 1 3 319.493 2.194 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001026735118 625700379 /nfs/dbraw/zinc/70/03/79/625700379.db2.gz YVXUWFJDYKADKU-ROUUACIJSA-N 1 3 321.509 2.489 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001026734053 625703579 /nfs/dbraw/zinc/70/35/79/625703579.db2.gz KXYKBESSHOLYHH-DLBZAZTESA-N 1 3 305.466 2.019 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CC2CC(C)(C)C2)C1)N(C)C ZINC000971777760 624545990 /nfs/dbraw/zinc/54/59/90/624545990.db2.gz GRTSBCUCURADNQ-JKSUJKDBSA-N 1 3 309.498 2.296 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C1)N(C)C ZINC000971777760 624545992 /nfs/dbraw/zinc/54/59/92/624545992.db2.gz GRTSBCUCURADNQ-JKSUJKDBSA-N 1 3 309.498 2.296 20 0 DEADHO COCCOc1ccc(CN2CCC(CC[NH+](C)C)CC2)o1 ZINC000891775936 624595138 /nfs/dbraw/zinc/59/51/38/624595138.db2.gz VTHFLXHYWHOQSP-UHFFFAOYSA-N 1 3 310.438 2.469 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001022712258 624863774 /nfs/dbraw/zinc/86/37/74/624863774.db2.gz NSWUBVAXXMNXML-CWRNSKLLSA-N 1 3 307.482 2.144 20 0 DEADHO COc1ccc(CCNC(=[NH2+])NCCN2CCC[C@H](C)C2)cc1 ZINC000066243433 625056622 /nfs/dbraw/zinc/05/66/22/625056622.db2.gz XBTVPZSMNOEXPU-HNNXBMFYSA-N 1 3 318.465 2.084 20 0 DEADHO CN(CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC1)C1CCC1 ZINC001024982972 625127193 /nfs/dbraw/zinc/12/71/93/625127193.db2.gz IKDLZJMKFOJORB-QGZVFWFLSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C(C)C ZINC001026086855 625131630 /nfs/dbraw/zinc/13/16/30/625131630.db2.gz UMMBPMRMXFSMSD-SFFUCWETSA-N 1 3 321.509 2.342 20 0 DEADHO CC[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C(C)C ZINC001026086855 625131632 /nfs/dbraw/zinc/13/16/32/625131632.db2.gz UMMBPMRMXFSMSD-SFFUCWETSA-N 1 3 321.509 2.342 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001023025130 625137837 /nfs/dbraw/zinc/13/78/37/625137837.db2.gz WYFNFYGDZBQOSB-IYBDPMFKSA-N 1 3 312.417 2.006 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC001023025026 625138253 /nfs/dbraw/zinc/13/82/53/625138253.db2.gz RGDQBOUGXGNQJB-HLLBOEOZSA-N 1 3 324.428 2.185 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC2)C1 ZINC001023130385 625164750 /nfs/dbraw/zinc/16/47/50/625164750.db2.gz LLNIFMMQIAECSB-CALCHBBNSA-N 1 3 315.461 2.399 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CC2)C1 ZINC001023130641 625164755 /nfs/dbraw/zinc/16/47/55/625164755.db2.gz XMOXDSZZJQGZPY-CALCHBBNSA-N 1 3 315.461 2.399 20 0 DEADHO C[C@@H]1CN(C(C)(C)CN[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C[C@@H](C)O1 ZINC000925518371 625171136 /nfs/dbraw/zinc/17/11/36/625171136.db2.gz YDGHTEQBQZCNOZ-OVYGPGRDSA-N 1 3 323.525 2.240 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001007742523 625843958 /nfs/dbraw/zinc/84/39/58/625843958.db2.gz FQDRUQHFVZMVBY-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001007742523 625843965 /nfs/dbraw/zinc/84/39/65/625843965.db2.gz FQDRUQHFVZMVBY-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO OCc1cnccc1NCC1([NH+]2CCSCC2)CCCCC1 ZINC000892479601 625854401 /nfs/dbraw/zinc/85/44/01/625854401.db2.gz IJUXXKOVHFRKOW-UHFFFAOYSA-N 1 3 321.490 2.159 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[N@@H+]1CC1CC1 ZINC000947615738 625866372 /nfs/dbraw/zinc/86/63/72/625866372.db2.gz KTSQNEDIVKHFFA-HOCLYGCPSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[N@H+]1CC1CC1 ZINC000947615738 625866376 /nfs/dbraw/zinc/86/63/76/625866376.db2.gz KTSQNEDIVKHFFA-HOCLYGCPSA-N 1 3 307.482 2.240 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518405 634507132 /nfs/dbraw/zinc/50/71/32/634507132.db2.gz TXQBLVBDNIGLMU-IXDOHACOSA-N 1 3 307.482 2.051 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518405 634507139 /nfs/dbraw/zinc/50/71/39/634507139.db2.gz TXQBLVBDNIGLMU-IXDOHACOSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccsc2)C1)N(C)C ZINC000999418957 634584717 /nfs/dbraw/zinc/58/47/17/634584717.db2.gz CRISCPROSMUXRS-HOTGVXAUSA-N 1 3 323.506 2.415 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)C2CC([NH2+]CC3CCCC3)C2)C1 ZINC000999407971 634585860 /nfs/dbraw/zinc/58/58/60/634585860.db2.gz ISYNCYIBFPCOIL-ODIFPOPNSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N(C)C1CC([NH2+]CC2CC(C)(C)C2)C1 ZINC000999405813 634586324 /nfs/dbraw/zinc/58/63/24/634586324.db2.gz JNGVOAYSKGXAMC-ODIFPOPNSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CC2CCCC2)C1)N(C)C ZINC000999425404 634589741 /nfs/dbraw/zinc/58/97/41/634589741.db2.gz TWWCWWIHNSYYPC-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC000999481085 634607071 /nfs/dbraw/zinc/60/70/71/634607071.db2.gz AEYZNYFCTREDHY-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1ccc(C[NH2+]C2CC(N(C)C(=O)CN3CCCC3)C2)cc1 ZINC000999832323 634691120 /nfs/dbraw/zinc/69/11/20/634691120.db2.gz FACIUJBCIZSWKP-UHFFFAOYSA-N 1 3 315.461 2.170 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC2CCC2)C(C)(C)C1 ZINC000995790148 633122985 /nfs/dbraw/zinc/12/29/85/633122985.db2.gz AXWTVPSLDFLEKY-IRXDYDNUSA-N 1 3 321.509 2.486 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(C)C)C(C)(C)C1 ZINC000995872135 633132265 /nfs/dbraw/zinc/13/22/65/633132265.db2.gz LZTIKMQMOPWARU-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC000995880319 633133788 /nfs/dbraw/zinc/13/37/88/633133788.db2.gz JSTKCZZTLHKLAT-HOTGVXAUSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000925701974 633173066 /nfs/dbraw/zinc/17/30/66/633173066.db2.gz IUSXEAJQQJSGOH-RFXPCRSYSA-N 1 3 323.525 2.242 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]CCC2CC2)C(C)(C)C1 ZINC000996300386 633232256 /nfs/dbraw/zinc/23/22/56/633232256.db2.gz LGAOOGQEOIYZHD-GDBMZVCRSA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)C1)C1CC1 ZINC001026887546 633247988 /nfs/dbraw/zinc/24/79/88/633247988.db2.gz RCOAFMBNNHDCPJ-FUHWJXTLSA-N 1 3 319.493 2.265 20 0 DEADHO CC(C)[NH2+][C@H]1CN(C(=O)[C@@H](C)N2CCCCCC2)CC1(C)C ZINC000996372516 633249871 /nfs/dbraw/zinc/24/98/71/633249871.db2.gz DJYSHZVFICVPFS-CVEARBPZSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2F)C1)N(C)C ZINC001026916594 633262476 /nfs/dbraw/zinc/26/24/76/633262476.db2.gz LIZYBQGNEJWBJV-WMLDXEAASA-N 1 3 321.440 2.104 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001026916104 633262706 /nfs/dbraw/zinc/26/27/06/633262706.db2.gz AMNULHMRTVYDTL-DOTOQJQBSA-N 1 3 321.440 2.104 20 0 DEADHO CC(C)(C)OC(=O)NC1CC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000299982860 633306828 /nfs/dbraw/zinc/30/68/28/633306828.db2.gz UYUOMTZHUFVVSN-URGYJCLVSA-N 1 3 309.454 2.259 20 0 DEADHO CC(C)(C)OC(=O)NC1CC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000299982860 633306829 /nfs/dbraw/zinc/30/68/29/633306829.db2.gz UYUOMTZHUFVVSN-URGYJCLVSA-N 1 3 309.454 2.259 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]CC2CCCC2)C1)N(C)C ZINC001027043653 633369884 /nfs/dbraw/zinc/36/98/84/633369884.db2.gz JCMJYBXXEFQYDO-DLBZAZTESA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)=CCN1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000974991692 633383393 /nfs/dbraw/zinc/38/33/93/633383393.db2.gz DQEZGYDRIXEMSW-MRXNPFEDSA-N 1 3 307.482 2.121 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001027063502 633385555 /nfs/dbraw/zinc/38/55/55/633385555.db2.gz MLFHMBOYSIZURY-LSDHHAIUSA-N 1 3 321.490 2.171 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2csc(C)c2)C1)N(C)C ZINC001027070069 633419468 /nfs/dbraw/zinc/41/94/68/633419468.db2.gz ITWYJZNMFMWEOI-HOCLYGCPSA-N 1 3 323.506 2.335 20 0 DEADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccccc2C)CC1)N(C)C ZINC000997010159 633561503 /nfs/dbraw/zinc/56/15/03/633561503.db2.gz QKLJYJIPIWPACN-SFHVURJKSA-N 1 3 317.477 2.416 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]([N@H+](C)CCC2CC2)C1)C1CCC1 ZINC001027441394 633791601 /nfs/dbraw/zinc/79/16/01/633791601.db2.gz FKMDKVWFIRDDGJ-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]([N@@H+](C)CCC2CC2)C1)C1CCC1 ZINC001027441394 633791605 /nfs/dbraw/zinc/79/16/05/633791605.db2.gz FKMDKVWFIRDDGJ-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCC2)C1)C1CC1 ZINC001027444894 633795434 /nfs/dbraw/zinc/79/54/34/633795434.db2.gz VIIOIWLBDRQTDY-QZTJIDSGSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCC2)C1)C1CC1 ZINC001027444894 633795441 /nfs/dbraw/zinc/79/54/41/633795441.db2.gz VIIOIWLBDRQTDY-QZTJIDSGSA-N 1 3 321.509 2.440 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC=C(C)C)C[C@H]21 ZINC000978229463 634249274 /nfs/dbraw/zinc/24/92/74/634249274.db2.gz IZCBIQMFSLFSTO-ZJPYXAASSA-N 1 3 319.493 2.121 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC=C(C)C)C[C@H]21 ZINC000978229463 634249281 /nfs/dbraw/zinc/24/92/81/634249281.db2.gz IZCBIQMFSLFSTO-ZJPYXAASSA-N 1 3 319.493 2.121 20 0 DEADHO Cc1cccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCN3C)C2)c1 ZINC000998548993 634323269 /nfs/dbraw/zinc/32/32/69/634323269.db2.gz JRBCMSLYGUEPCB-DAWZGUTISA-N 1 3 315.461 2.168 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001000305307 635136443 /nfs/dbraw/zinc/13/64/43/635136443.db2.gz BVGXRROQCRKFMA-INIZCTEOSA-N 1 3 312.417 2.041 20 0 DEADHO CC(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001000370239 635156859 /nfs/dbraw/zinc/15/68/59/635156859.db2.gz KCQOGHRZBSKVIC-IAGOWNOFSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@@H](F)CN1CCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001028002638 635212264 /nfs/dbraw/zinc/21/22/64/635212264.db2.gz FXYDWQZEMHKREV-HUUCEWRRSA-N 1 3 318.396 2.277 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[N@H+](CCC2CC2)CC1 ZINC000981143239 635330477 /nfs/dbraw/zinc/33/04/77/635330477.db2.gz HCHWZHMRVJLZEF-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[N@@H+](CCC2CC2)CC1 ZINC000981143239 635330481 /nfs/dbraw/zinc/33/04/81/635330481.db2.gz HCHWZHMRVJLZEF-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCCN(CC[C@@H](C)F)CC1 ZINC000981148679 635332066 /nfs/dbraw/zinc/33/20/66/635332066.db2.gz LDGYZJRMGWPUFN-HZPDHXFCSA-N 1 3 313.461 2.142 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCCN(CC[C@@H](C)F)CC1 ZINC000981148679 635332067 /nfs/dbraw/zinc/33/20/67/635332067.db2.gz LDGYZJRMGWPUFN-HZPDHXFCSA-N 1 3 313.461 2.142 20 0 DEADHO CCC[NH2+][C@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001000991622 635383489 /nfs/dbraw/zinc/38/34/89/635383489.db2.gz JAEMJGFOBMDNBC-INIZCTEOSA-N 1 3 303.450 2.352 20 0 DEADHO CC1(C)[C@H](NC[C@H]2CC[C@H](C(F)(F)F)O2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925805948 635451136 /nfs/dbraw/zinc/45/11/36/635451136.db2.gz MUVIOPAXQHBANJ-NJMOYASZSA-N 1 3 306.372 2.463 20 0 DEADHO C[C@@H](F)CCN1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000981369089 635456634 /nfs/dbraw/zinc/45/66/34/635456634.db2.gz APDYYJBUSIOGBZ-CVEARBPZSA-N 1 3 313.461 2.143 20 0 DEADHO C[C@@H](F)CCN1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000981369089 635456636 /nfs/dbraw/zinc/45/66/36/635456636.db2.gz APDYYJBUSIOGBZ-CVEARBPZSA-N 1 3 313.461 2.143 20 0 DEADHO CCCCN1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000981525642 635515895 /nfs/dbraw/zinc/51/58/95/635515895.db2.gz PQGOTLOUQFHXLU-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCCCN1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000981525642 635515899 /nfs/dbraw/zinc/51/58/99/635515899.db2.gz PQGOTLOUQFHXLU-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC2(C1)CCC[N@H+](CC1CCC1)C2)N(C)C ZINC000981825803 635672715 /nfs/dbraw/zinc/67/27/15/635672715.db2.gz ORMCTGJWUCYBFN-KRWDZBQOSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](CC1CCC1)C2)N(C)C ZINC000981825803 635672720 /nfs/dbraw/zinc/67/27/20/635672720.db2.gz ORMCTGJWUCYBFN-KRWDZBQOSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC000981842276 635687701 /nfs/dbraw/zinc/68/77/01/635687701.db2.gz XBRNFHMCGVOTTJ-HZPDHXFCSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC000981842276 635687703 /nfs/dbraw/zinc/68/77/03/635687703.db2.gz XBRNFHMCGVOTTJ-HZPDHXFCSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CC[N@@H+]1CCCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC000982013110 635810649 /nfs/dbraw/zinc/81/06/49/635810649.db2.gz LCQFKNDLMHWKKV-QGZVFWFLSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)CC[N@H+]1CCCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC000982013110 635810650 /nfs/dbraw/zinc/81/06/50/635810650.db2.gz LCQFKNDLMHWKKV-QGZVFWFLSA-N 1 3 321.509 2.299 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC1CC[NH+](CC2CCC2)CC1 ZINC001002955398 635859935 /nfs/dbraw/zinc/85/99/35/635859935.db2.gz NBLWTJYQKNECIS-KRWDZBQOSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1CCN(CC(=O)NC2CC[NH+](CC3CC(C)(C)C3)CC2)C1 ZINC001003630333 636007996 /nfs/dbraw/zinc/00/79/96/636007996.db2.gz LNQWNIFKKZXXRD-HNNXBMFYSA-N 1 3 321.509 2.345 20 0 DEADHO CC[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)N3CCCC3)C[C@@]2(C)C1 ZINC000982428598 636018824 /nfs/dbraw/zinc/01/88/24/636018824.db2.gz JPWPRPWKMOFKJO-HDICACEKSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)N3CCCC3)C[C@@]2(C)C1 ZINC000982428598 636018825 /nfs/dbraw/zinc/01/88/25/636018825.db2.gz JPWPRPWKMOFKJO-HDICACEKSA-N 1 3 307.482 2.051 20 0 DEADHO COC(OC)[C@H](C)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000922310840 636078030 /nfs/dbraw/zinc/07/80/30/636078030.db2.gz JCFIMSGMOMTEFE-HNNXBMFYSA-N 1 3 322.449 2.258 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCF)c1 ZINC001028334384 636135584 /nfs/dbraw/zinc/13/55/84/636135584.db2.gz XSACTDYKDDMSMB-KRWDZBQOSA-N 1 3 321.440 2.302 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CCC[N@H+]2CCCF)c1 ZINC001028334384 636135587 /nfs/dbraw/zinc/13/55/87/636135587.db2.gz XSACTDYKDDMSMB-KRWDZBQOSA-N 1 3 321.440 2.302 20 0 DEADHO CCc1ncc(CN[C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)s1 ZINC000922388284 636142202 /nfs/dbraw/zinc/14/22/02/636142202.db2.gz OPDVPSHAGNODJM-MUIFIZLQSA-N 1 3 323.506 2.275 20 0 DEADHO CCc1ncc(CN[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)s1 ZINC000922388284 636142203 /nfs/dbraw/zinc/14/22/03/636142203.db2.gz OPDVPSHAGNODJM-MUIFIZLQSA-N 1 3 323.506 2.275 20 0 DEADHO Cc1nc(F)ccc1CN[C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922390520 636152789 /nfs/dbraw/zinc/15/27/89/636152789.db2.gz NOJVIPQPGANDFL-JOCBIADPSA-N 1 3 321.440 2.098 20 0 DEADHO Cc1nc(F)ccc1CN[C@@H]1C[C@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922390520 636152791 /nfs/dbraw/zinc/15/27/91/636152791.db2.gz NOJVIPQPGANDFL-JOCBIADPSA-N 1 3 321.440 2.098 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3ccc(C)cn3)C2)[C@H]1C(C)C ZINC000922395666 636157071 /nfs/dbraw/zinc/15/70/71/636157071.db2.gz YGGBOXNHJLJSCK-NCXUSEDFSA-N 1 3 317.477 2.349 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3ccc(C)cn3)C2)[C@H]1C(C)C ZINC000922395666 636157072 /nfs/dbraw/zinc/15/70/72/636157072.db2.gz YGGBOXNHJLJSCK-NCXUSEDFSA-N 1 3 317.477 2.349 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccco1 ZINC000922424137 636166470 /nfs/dbraw/zinc/16/64/70/636166470.db2.gz LKJVGCHQKSHRDR-GBJTYRQASA-N 1 3 322.453 2.101 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccco1 ZINC000922424137 636166475 /nfs/dbraw/zinc/16/64/75/636166475.db2.gz LKJVGCHQKSHRDR-GBJTYRQASA-N 1 3 322.453 2.101 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@]2(C)C[N@H+](CC3CC3)C[C@]2(C)C1)N(C)C ZINC000982520806 636216170 /nfs/dbraw/zinc/21/61/70/636216170.db2.gz WGKFBXSEOXRWBR-QRQLOZEOSA-N 1 3 321.509 2.153 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@]2(C)C[N@@H+](CC3CC3)C[C@]2(C)C1)N(C)C ZINC000982520806 636216176 /nfs/dbraw/zinc/21/61/76/636216176.db2.gz WGKFBXSEOXRWBR-QRQLOZEOSA-N 1 3 321.509 2.153 20 0 DEADHO CC[C@H](C)C[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH]cn3)C[C@@]2(C)C1 ZINC000982597683 636302127 /nfs/dbraw/zinc/30/21/27/636302127.db2.gz BFLFQZOUTYEEPT-JCGIZDLHSA-N 1 3 318.465 2.169 20 0 DEADHO CC[C@H](C)C[N@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH]cn3)C[C@@]2(C)C1 ZINC000982597683 636302130 /nfs/dbraw/zinc/30/21/30/636302130.db2.gz BFLFQZOUTYEEPT-JCGIZDLHSA-N 1 3 318.465 2.169 20 0 DEADHO FC(F)(F)CN1CCC[C@@H]1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000922709804 636340394 /nfs/dbraw/zinc/34/03/94/636340394.db2.gz PCMSSJNTAVUFCQ-MELADBBJSA-N 1 3 305.388 2.230 20 0 DEADHO FC(F)(F)CN1CCC[C@@H]1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000922709804 636340401 /nfs/dbraw/zinc/34/04/01/636340401.db2.gz PCMSSJNTAVUFCQ-MELADBBJSA-N 1 3 305.388 2.230 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001028579770 636373533 /nfs/dbraw/zinc/37/35/33/636373533.db2.gz IKTRRCFRRGXNKO-SJORKVTESA-N 1 3 307.482 2.099 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001028579770 636373535 /nfs/dbraw/zinc/37/35/35/636373535.db2.gz IKTRRCFRRGXNKO-SJORKVTESA-N 1 3 307.482 2.099 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001004460269 636459369 /nfs/dbraw/zinc/45/93/69/636459369.db2.gz YONFSVSERJRVDD-SJORKVTESA-N 1 3 307.482 2.050 20 0 DEADHO CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001004460269 636459373 /nfs/dbraw/zinc/45/93/73/636459373.db2.gz YONFSVSERJRVDD-SJORKVTESA-N 1 3 307.482 2.050 20 0 DEADHO CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004549205 636484420 /nfs/dbraw/zinc/48/44/20/636484420.db2.gz VETCKMNDVOGYFS-RDJZCZTQSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004549205 636484425 /nfs/dbraw/zinc/48/44/25/636484425.db2.gz VETCKMNDVOGYFS-RDJZCZTQSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]([NH2+]CC1CC1)[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001004877203 636602811 /nfs/dbraw/zinc/60/28/11/636602811.db2.gz LNSPPVNCOPHQRX-PBHICJAKSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CN1CCC(C)(C)C1 ZINC001004942622 636615223 /nfs/dbraw/zinc/61/52/23/636615223.db2.gz MHLMYNDXQZTQHN-JKSUJKDBSA-N 1 3 309.498 2.486 20 0 DEADHO CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946765583 636623164 /nfs/dbraw/zinc/62/31/64/636623164.db2.gz PPZSVEFWSUIKGO-IXDOHACOSA-N 1 3 309.498 2.153 20 0 DEADHO CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946765583 636623169 /nfs/dbraw/zinc/62/31/69/636623169.db2.gz PPZSVEFWSUIKGO-IXDOHACOSA-N 1 3 309.498 2.153 20 0 DEADHO Cn1nnc2c1C[C@@H](NC1CC[NH+](C3CCCCC3)CC1)CC2 ZINC000922989986 636899323 /nfs/dbraw/zinc/89/93/23/636899323.db2.gz CKGPOZQTEDBVHD-HNNXBMFYSA-N 1 3 317.481 2.059 20 0 DEADHO Cn1nnc2c1C[C@@H]([NH2+]C1CCN(C3CCCCC3)CC1)CC2 ZINC000922989986 636899326 /nfs/dbraw/zinc/89/93/26/636899326.db2.gz CKGPOZQTEDBVHD-HNNXBMFYSA-N 1 3 317.481 2.059 20 0 DEADHO O[C@@H]1C[C@H](NC2CC[NH+](C3CCCCC3)CC2)C12CCOCC2 ZINC000923020497 636914357 /nfs/dbraw/zinc/91/43/57/636914357.db2.gz MQLQTYZSIGYSEI-ZWKOTPCHSA-N 1 3 322.493 2.303 20 0 DEADHO O[C@@H]1C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C12CCOCC2 ZINC000923020497 636914360 /nfs/dbraw/zinc/91/43/60/636914360.db2.gz MQLQTYZSIGYSEI-ZWKOTPCHSA-N 1 3 322.493 2.303 20 0 DEADHO CC(C)CC[NH+]1CCC(N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC001005999634 637064739 /nfs/dbraw/zinc/06/47/39/637064739.db2.gz BTJRVWQXYVRLCX-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000923278913 637079051 /nfs/dbraw/zinc/07/90/51/637079051.db2.gz XPIWQYMXMCQQHR-GVDBMIGSSA-N 1 3 305.466 2.089 20 0 DEADHO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000923278913 637079056 /nfs/dbraw/zinc/07/90/56/637079056.db2.gz XPIWQYMXMCQQHR-GVDBMIGSSA-N 1 3 305.466 2.089 20 0 DEADHO CCN(C[C@@H](O)COc1ccc(F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000923336021 637122140 /nfs/dbraw/zinc/12/21/40/637122140.db2.gz PKEMGSWCAFJPFM-JKSUJKDBSA-N 1 3 310.413 2.029 20 0 DEADHO CCOc1ccc(OC[C@@H](O)CN2CCCC[C@@H]2CC[NH3+])cc1 ZINC000923353193 637133590 /nfs/dbraw/zinc/13/35/90/637133590.db2.gz IBPMNDVCZLDANN-CVEARBPZSA-N 1 3 322.449 2.028 20 0 DEADHO Cc1ccc(C)c(OC[C@@H](O)CN2CCCC[C@H]2CC[NH3+])c1 ZINC000923352256 637133831 /nfs/dbraw/zinc/13/38/31/637133831.db2.gz CKYJRJXRKFZYDV-IRXDYDNUSA-N 1 3 306.450 2.246 20 0 DEADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC[C@H](COc3ccccc3Cl)C2)C1 ZINC000923371132 637141198 /nfs/dbraw/zinc/14/11/98/637141198.db2.gz PLSJGSRPXNWNJZ-SDADXPQNSA-N 1 3 324.852 2.281 20 0 DEADHO Cc1ccccc1OC[C@H](O)CN1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000923414970 637167998 /nfs/dbraw/zinc/16/79/98/637167998.db2.gz NZVYORWURSCLRV-VQIMIIECSA-N 1 3 320.477 2.432 20 0 DEADHO CCCC[C@@H](C(=O)Nc1cc(C)on1)N1CC[C@@H](CC[NH3+])C1 ZINC000923486597 637200575 /nfs/dbraw/zinc/20/05/75/637200575.db2.gz ICSUWVYVLXCNIE-KGLIPLIRSA-N 1 3 308.426 2.151 20 0 DEADHO [NH3+]CC[C@H]1CCN([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000923482263 637203647 /nfs/dbraw/zinc/20/36/47/637203647.db2.gz PQEOXHSVWCFLPT-SWLSCSKDSA-N 1 3 307.825 2.116 20 0 DEADHO CSc1ccc(NC(=O)[C@H](C)N2CC[C@@H](CC[NH3+])C2)cc1 ZINC000923484885 637205806 /nfs/dbraw/zinc/20/58/06/637205806.db2.gz CGLJJNATKSJJDR-QWHCGFSZSA-N 1 3 307.463 2.406 20 0 DEADHO CCOc1ccc(NC(=O)[C@H](C)N2CC[C@H](CC[NH3+])C2)cc1 ZINC000923489519 637208319 /nfs/dbraw/zinc/20/83/19/637208319.db2.gz YHZLDKVABKUOAD-KBPBESRZSA-N 1 3 305.422 2.083 20 0 DEADHO C[C@H](NC(=O)CN1CC[C@H](C[NH3+])[C@H](C)C1)c1ccccc1Cl ZINC000923502585 637212982 /nfs/dbraw/zinc/21/29/82/637212982.db2.gz CGCMIULJRCNYTE-HZSPNIEDSA-N 1 3 323.868 2.434 20 0 DEADHO CCc1ccc(CN(C)C(=O)CN2CC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923500605 637217061 /nfs/dbraw/zinc/21/70/61/637217061.db2.gz PYOQMZQSDOSGST-QAPCUYQASA-N 1 3 317.477 2.124 20 0 DEADHO CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923501486 637218649 /nfs/dbraw/zinc/21/86/49/637218649.db2.gz SNIARRUPGCNLMC-CKEIUWERSA-N 1 3 319.449 2.329 20 0 DEADHO CC(C)N1CC[C@H](N2CCC([C@H]3CCC[NH2+]CC3)CC2)C1=O ZINC000923505613 637220711 /nfs/dbraw/zinc/22/07/11/637220711.db2.gz OLCRHEZXHQPYNE-RDJZCZTQSA-N 1 3 307.482 2.097 20 0 DEADHO O=C1[C@@H](N2CCC([C@H]3CCC[NH2+]CC3)CC2)CCN1C1CCC1 ZINC000923506226 637221220 /nfs/dbraw/zinc/22/12/20/637221220.db2.gz IZUZSHUOGNGGPP-YJBOKZPZSA-N 1 3 319.493 2.242 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]C(C)C)CC1 ZINC001029174014 637293299 /nfs/dbraw/zinc/29/32/99/637293299.db2.gz XGPJKLKIKOLUDY-RDJZCZTQSA-N 1 3 309.498 2.486 20 0 DEADHO CCN1CCC([N@@H+]2CCCN(Cc3[nH]nc(C)c3C)CC2)CC1 ZINC000895034881 637388424 /nfs/dbraw/zinc/38/84/24/637388424.db2.gz XSONZTMHKUCESL-UHFFFAOYSA-N 1 3 319.497 2.019 20 0 DEADHO CCN1CCC([N@H+]2CCCN(Cc3[nH]nc(C)c3C)CC2)CC1 ZINC000895034881 637388427 /nfs/dbraw/zinc/38/84/27/637388427.db2.gz XSONZTMHKUCESL-UHFFFAOYSA-N 1 3 319.497 2.019 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001029328959 637608379 /nfs/dbraw/zinc/60/83/79/637608379.db2.gz DUESXGVZUHWKFL-FGTMMUONSA-N 1 3 319.493 2.336 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001029328959 637608382 /nfs/dbraw/zinc/60/83/82/637608382.db2.gz DUESXGVZUHWKFL-FGTMMUONSA-N 1 3 319.493 2.336 20 0 DEADHO COc1ccc(CNCC2CC[NH+](C3CCOCC3)CC2)o1 ZINC000895309612 637913024 /nfs/dbraw/zinc/91/30/24/637913024.db2.gz OEALKHOHKWGAMG-UHFFFAOYSA-N 1 3 308.422 2.269 20 0 DEADHO C[C@H]([NH2+][C@@H]1C(=O)NCC1(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000895324636 637931255 /nfs/dbraw/zinc/93/12/55/637931255.db2.gz QXQBJLHSTQJOIZ-USXIJHARSA-N 1 3 315.461 2.011 20 0 DEADHO COCCOC[C@H](C)[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000895694040 638147494 /nfs/dbraw/zinc/14/74/94/638147494.db2.gz QNNQALOZVFFXMF-AOIWGVFYSA-N 1 3 320.477 2.396 20 0 DEADHO C[N@@H+]1CC[C@@H]2CN(C[C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000895841131 638220430 /nfs/dbraw/zinc/22/04/30/638220430.db2.gz DLJOTAIXANJPDL-LVQVYYBASA-N 1 3 323.481 2.316 20 0 DEADHO C[N@H+]1CC[C@@H]2CN(C[C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000895841131 638220433 /nfs/dbraw/zinc/22/04/33/638220433.db2.gz DLJOTAIXANJPDL-LVQVYYBASA-N 1 3 323.481 2.316 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1)N(C)C ZINC001029459249 638249960 /nfs/dbraw/zinc/24/99/60/638249960.db2.gz ROMYLDXBKPETLO-IXDOHACOSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1)N(C)C ZINC001029459249 638249962 /nfs/dbraw/zinc/24/99/62/638249962.db2.gz ROMYLDXBKPETLO-IXDOHACOSA-N 1 3 307.482 2.048 20 0 DEADHO COc1cc(CN[C@H]2CCC[C@H]([NH3+])C2)ccc1OC(=O)C1CC1 ZINC000841057354 650416818 /nfs/dbraw/zinc/41/68/18/650416818.db2.gz JITLBGSDEUZQDC-GJZGRUSLSA-N 1 3 318.417 2.370 20 0 DEADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000896202299 638413712 /nfs/dbraw/zinc/41/37/12/638413712.db2.gz GSGXYXILFYRNGQ-GARNVTTQSA-N 1 3 322.497 2.127 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CCCCC2)C1 ZINC001029673892 639411415 /nfs/dbraw/zinc/41/14/15/639411415.db2.gz ANFSUJJWTOXOMB-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CCCCC2)C1 ZINC001029673892 639411420 /nfs/dbraw/zinc/41/14/20/639411420.db2.gz ANFSUJJWTOXOMB-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H](NCC1([NH+]2CCCCC2)CCN(C)CC1)c1cn(C)cn1 ZINC000925157187 639483589 /nfs/dbraw/zinc/48/35/89/639483589.db2.gz TURBAKDNTMQACE-INIZCTEOSA-N 1 3 319.497 2.021 20 0 DEADHO CC1CC(C[N@H+](C)C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC000985648717 639562175 /nfs/dbraw/zinc/56/21/75/639562175.db2.gz YBUJNJGXZKXSLS-AQFXKWCLSA-N 1 3 321.509 2.440 20 0 DEADHO CC1CC(C[N@@H+](C)C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC000985648717 639562180 /nfs/dbraw/zinc/56/21/80/639562180.db2.gz YBUJNJGXZKXSLS-AQFXKWCLSA-N 1 3 321.509 2.440 20 0 DEADHO CC1CCN(CC(=O)N2CCC([N@H+](C)CC3CCC3)CC2)CC1 ZINC000985713329 639595821 /nfs/dbraw/zinc/59/58/21/639595821.db2.gz SLELGLVDHGRJDZ-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC1CCN(CC(=O)N2CCC([N@@H+](C)CC3CCC3)CC2)CC1 ZINC000985713329 639595825 /nfs/dbraw/zinc/59/58/25/639595825.db2.gz SLELGLVDHGRJDZ-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1[C@@H]([NH2+]Cc2ccccc2)CCN1C(=O)CN(C)C1CCC1 ZINC000986358229 639885981 /nfs/dbraw/zinc/88/59/81/639885981.db2.gz XKJQFXIROZMWHF-QAPCUYQASA-N 1 3 315.461 2.250 20 0 DEADHO COC(=O)C1=C(C)O[C@@H](C[N@H+](C)CC[C@@H]2CCCCN2C)C1 ZINC000759854138 640127135 /nfs/dbraw/zinc/12/71/35/640127135.db2.gz KPWZOZOOWLCVEQ-LSDHHAIUSA-N 1 3 310.438 2.029 20 0 DEADHO COC(=O)C1=C(C)O[C@@H](C[N@@H+](C)CC[C@@H]2CCCCN2C)C1 ZINC000759854138 640127139 /nfs/dbraw/zinc/12/71/39/640127139.db2.gz KPWZOZOOWLCVEQ-LSDHHAIUSA-N 1 3 310.438 2.029 20 0 DEADHO C[C@H]1CN(C(=O)NCCCCCCC[NH+]2CCCC2)[C@@H](C)CN1 ZINC000841852070 650580320 /nfs/dbraw/zinc/58/03/20/650580320.db2.gz WUUOCZZSCSTBCN-IRXDYDNUSA-N 1 3 324.513 2.425 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]Cc2ccsc2)CN1C(=O)CN(C)C1CCC1 ZINC000988955440 640695400 /nfs/dbraw/zinc/69/54/00/640695400.db2.gz KAOOJPCPINXXCJ-DZGCQCFKSA-N 1 3 321.490 2.311 20 0 DEADHO CCCCCCN(C)CC(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000765270945 640758603 /nfs/dbraw/zinc/75/86/03/640758603.db2.gz RCVBBYUYOCRIAM-CABCVRRESA-N 1 3 315.527 2.003 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CCC2CC2)CN1C(=O)CN1CCC(C)CC1 ZINC000989606873 641167586 /nfs/dbraw/zinc/16/75/86/641167586.db2.gz WKEJZFALAFYTOK-DOTOQJQBSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC000989795956 641234777 /nfs/dbraw/zinc/23/47/77/641234777.db2.gz FAIMUHATNGYICA-SJLPKXTDSA-N 1 3 315.461 2.170 20 0 DEADHO Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)c1 ZINC000989797542 641236775 /nfs/dbraw/zinc/23/67/75/641236775.db2.gz YNANHQQWDSNPRT-SJLPKXTDSA-N 1 3 315.461 2.170 20 0 DEADHO COCCN(C)CCC[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000924655501 641547413 /nfs/dbraw/zinc/54/74/13/641547413.db2.gz KHIQOWAXWBAXOD-MJGOQNOKSA-N 1 3 319.493 2.207 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C/C=C(Cl)Cl ZINC000898584593 641717360 /nfs/dbraw/zinc/71/73/60/641717360.db2.gz GWPHSBYEWMXNRS-ZCRIDZFUSA-N 1 3 322.280 2.250 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C/C=C(Cl)Cl ZINC000898584593 641717364 /nfs/dbraw/zinc/71/73/64/641717364.db2.gz GWPHSBYEWMXNRS-ZCRIDZFUSA-N 1 3 322.280 2.250 20 0 DEADHO CCN1CCC[C@H](C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000775307365 642027276 /nfs/dbraw/zinc/02/72/76/642027276.db2.gz IOPVOLZHPXZXRC-MRXNPFEDSA-N 1 3 315.461 2.417 20 0 DEADHO C[C@@H]1NCCn2c(-c3nc(-c4ccc(C[NH3+])cc4)no3)ccc21 ZINC000900012670 642234216 /nfs/dbraw/zinc/23/42/16/642234216.db2.gz XHHRASLCHJHMCN-NSHDSACASA-N 1 3 309.373 2.328 20 0 DEADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)C12CC[NH+](CC1)C2 ZINC000900106126 642266058 /nfs/dbraw/zinc/26/60/58/642266058.db2.gz CTYKACOCVZGLOT-KRWDZBQOSA-N 1 3 313.445 2.036 20 0 DEADHO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900695923 642439902 /nfs/dbraw/zinc/43/99/02/642439902.db2.gz TXSNHJVXZQWQBT-HNNXBMFYSA-N 1 3 300.406 2.115 20 0 DEADHO C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900695923 642439908 /nfs/dbraw/zinc/43/99/08/642439908.db2.gz TXSNHJVXZQWQBT-HNNXBMFYSA-N 1 3 300.406 2.115 20 0 DEADHO CN(C)CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C1CCCC1 ZINC000900685308 642443962 /nfs/dbraw/zinc/44/39/62/642443962.db2.gz RABXFMCJCCXOGI-SJORKVTESA-N 1 3 307.482 2.336 20 0 DEADHO CN(C)CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C1CCCC1 ZINC000900685308 642443965 /nfs/dbraw/zinc/44/39/65/642443965.db2.gz RABXFMCJCCXOGI-SJORKVTESA-N 1 3 307.482 2.336 20 0 DEADHO CC(C)[N@H+](C)CCNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900698353 642446441 /nfs/dbraw/zinc/44/64/41/642446441.db2.gz GGMKAHBZLMUDGH-UHFFFAOYSA-N 1 3 302.422 2.361 20 0 DEADHO CC(C)[N@@H+](C)CCNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900698353 642446444 /nfs/dbraw/zinc/44/64/44/642446444.db2.gz GGMKAHBZLMUDGH-UHFFFAOYSA-N 1 3 302.422 2.361 20 0 DEADHO CN(CCCO)C1CC[NH+](C[C@H]2CCc3ccccc32)CC1 ZINC000780285759 642608782 /nfs/dbraw/zinc/60/87/82/642608782.db2.gz MIGIQDQECXLTMA-QGZVFWFLSA-N 1 3 302.462 2.495 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000901362126 642639176 /nfs/dbraw/zinc/63/91/76/642639176.db2.gz SGHASCZIEBSLIM-SZMVWBNQSA-N 1 3 317.477 2.353 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000901362126 642639177 /nfs/dbraw/zinc/63/91/77/642639177.db2.gz SGHASCZIEBSLIM-SZMVWBNQSA-N 1 3 317.477 2.353 20 0 DEADHO CCN1CCN(CCC[NH2+]Cc2cc(C)ccc2NC)CC1 ZINC000902066911 642908282 /nfs/dbraw/zinc/90/82/82/642908282.db2.gz VFHHWRJYPPAPGB-UHFFFAOYSA-N 1 3 304.482 2.154 20 0 DEADHO CNC(=O)C[C@H](C)N[C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902386295 643026004 /nfs/dbraw/zinc/02/60/04/643026004.db2.gz FFLLWIDKJOTDJO-XHDPSFHLSA-N 1 3 313.392 2.249 20 0 DEADHO C[C@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cnccc1N ZINC000902504030 643054566 /nfs/dbraw/zinc/05/45/66/643054566.db2.gz VLODBUDVDSLRAN-SOVGHPHASA-N 1 3 324.428 2.401 20 0 DEADHO C[C@H]1CCC[C@H]([NH+]2CCC(NC3CC(CC(N)=O)C3)CC2)C1 ZINC000903261716 643303189 /nfs/dbraw/zinc/30/31/89/643303189.db2.gz VYNLZOOPUADBKG-DXCHVLGVSA-N 1 3 307.482 2.273 20 0 DEADHO C[N@@H+]1CC[C@H](NC[C@](C)(O)c2cccc(F)c2)[C@H]2CCC[C@@H]21 ZINC000903308624 643315683 /nfs/dbraw/zinc/31/56/83/643315683.db2.gz KDIQSKWXHBRXTJ-OWSLCNJRSA-N 1 3 306.425 2.496 20 0 DEADHO C[N@H+]1CC[C@H](NC[C@](C)(O)c2cccc(F)c2)[C@H]2CCC[C@@H]21 ZINC000903308624 643315685 /nfs/dbraw/zinc/31/56/85/643315685.db2.gz KDIQSKWXHBRXTJ-OWSLCNJRSA-N 1 3 306.425 2.496 20 0 DEADHO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903430015 643346540 /nfs/dbraw/zinc/34/65/40/643346540.db2.gz NLYGQLSOXUUMNL-NFAWXSAZSA-N 1 3 310.463 2.210 20 0 DEADHO Cc1ccc(OCCN(C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903718440 643437734 /nfs/dbraw/zinc/43/77/34/643437734.db2.gz MNNNHIYXVCDMPD-SFHVURJKSA-N 1 3 318.461 2.464 20 0 DEADHO CC1CCN(C(=O)C2CCN(C[C@@H]3CCCC[NH2+]C3)CC2)CC1 ZINC000903723133 643439922 /nfs/dbraw/zinc/43/99/22/643439922.db2.gz UTAQFWJFPFLRQV-QGZVFWFLSA-N 1 3 321.509 2.347 20 0 DEADHO C(CN1CCOC[C@H]1C[C@@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903827863 643474477 /nfs/dbraw/zinc/47/44/77/643474477.db2.gz YZUSNWHHPWUCKQ-FVAVCCDCSA-N 1 3 308.466 2.177 20 0 DEADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(CCc1ccc3c(c1)OC(F)(F)O3)C2 ZINC000903842833 643480073 /nfs/dbraw/zinc/48/00/73/643480073.db2.gz WBVOIOYOFHBMJA-XQQFMLRXSA-N 1 3 310.344 2.362 20 0 DEADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCC[C@@H](C2CCC2)C1 ZINC000903933586 643514278 /nfs/dbraw/zinc/51/42/78/643514278.db2.gz SLFHGUQIAWRDQH-CVEARBPZSA-N 1 3 303.454 2.215 20 0 DEADHO Cc1cccc(NC(=O)C[C@H](C)NC[C@@H]2C[NH2+]C[C@H]2C)c1C ZINC000903966823 643537069 /nfs/dbraw/zinc/53/70/69/643537069.db2.gz CNXUNQHMNSCBQP-YCPHGPKFSA-N 1 3 303.450 2.466 20 0 DEADHO O[C@@H](CCOCc1ccccc1)CN[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000905044952 643769599 /nfs/dbraw/zinc/76/95/99/643769599.db2.gz GOEFWKBISAFSMN-GBESFXJTSA-N 1 3 318.461 2.171 20 0 DEADHO O[C@@H](CCOCc1ccccc1)CN[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000905044952 643769600 /nfs/dbraw/zinc/76/96/00/643769600.db2.gz GOEFWKBISAFSMN-GBESFXJTSA-N 1 3 318.461 2.171 20 0 DEADHO C[C@@H](C[NH2+]C[C@H](O)CC1(CO)CCCC1)CN1CCCCC1 ZINC000905054959 643776033 /nfs/dbraw/zinc/77/60/33/643776033.db2.gz MBUYLETWNCXJHW-DLBZAZTESA-N 1 3 312.498 2.002 20 0 DEADHO C[C@@H](CNC[C@H](O)CC1(CO)CCCC1)C[NH+]1CCCCC1 ZINC000905054959 643776037 /nfs/dbraw/zinc/77/60/37/643776037.db2.gz MBUYLETWNCXJHW-DLBZAZTESA-N 1 3 312.498 2.002 20 0 DEADHO CC(C)CN1CCC([NH2+]C[C@@H](O)CC2(O)CCCCC2)CC1 ZINC000905064905 643785200 /nfs/dbraw/zinc/78/52/00/643785200.db2.gz DSVOQVWVXWCVQR-KRWDZBQOSA-N 1 3 312.498 2.143 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@@H](O)CC2(O)CCCCC2)C1 ZINC000905069447 643787016 /nfs/dbraw/zinc/78/70/16/643787016.db2.gz DUQOGEIAULKIGE-IRXDYDNUSA-N 1 3 312.498 2.143 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC[C@@H](O)CC2(O)CCCCC2)C1 ZINC000905069447 643787019 /nfs/dbraw/zinc/78/70/19/643787019.db2.gz DUQOGEIAULKIGE-IRXDYDNUSA-N 1 3 312.498 2.143 20 0 DEADHO C[N@H+](C[C@H](O)CNCC1(c2cccc(F)c2)CCC1)C1CC1 ZINC000905565188 643952070 /nfs/dbraw/zinc/95/20/70/643952070.db2.gz PPZRRJNECUCUJL-QGZVFWFLSA-N 1 3 306.425 2.292 20 0 DEADHO C[N@@H+](C[C@H](O)CNCC1(c2cccc(F)c2)CCC1)C1CC1 ZINC000905565188 643952071 /nfs/dbraw/zinc/95/20/71/643952071.db2.gz PPZRRJNECUCUJL-QGZVFWFLSA-N 1 3 306.425 2.292 20 0 DEADHO c1cc(CN2CCC(C[NH2+]C[C@@H]3CCCOC3)CC2)ccn1 ZINC000843098517 650892926 /nfs/dbraw/zinc/89/29/26/650892926.db2.gz XNFMEGXAKXOBGW-SFHVURJKSA-N 1 3 303.450 2.310 20 0 DEADHO CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000906081528 644132037 /nfs/dbraw/zinc/13/20/37/644132037.db2.gz AHVMBFAOGUKNFU-USXIJHARSA-N 1 3 303.450 2.312 20 0 DEADHO CN1c2ccc(CNCc3ccc(C[NH3+])cc3)cc2CCC1=O ZINC000843127220 650902537 /nfs/dbraw/zinc/90/25/37/650902537.db2.gz CITSONZAFGNDLK-UHFFFAOYSA-N 1 3 309.413 2.344 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@H]21 ZINC000907039875 644427147 /nfs/dbraw/zinc/42/71/47/644427147.db2.gz ZQKPJPCQLKJCKY-HZPDHXFCSA-N 1 3 307.482 2.194 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@H]21 ZINC000907039875 644427150 /nfs/dbraw/zinc/42/71/50/644427150.db2.gz ZQKPJPCQLKJCKY-HZPDHXFCSA-N 1 3 307.482 2.194 20 0 DEADHO C[N@@H+]1CC[C@H](NCc2ccc(-n3ccnc3)nc2)[C@@H]2CCC[C@@H]21 ZINC000796682012 644775893 /nfs/dbraw/zinc/77/58/93/644775893.db2.gz IXJKARWTRDRATJ-ULQDDVLXSA-N 1 3 311.433 2.230 20 0 DEADHO C[N@H+]1CC[C@H](NCc2ccc(-n3ccnc3)nc2)[C@@H]2CCC[C@@H]21 ZINC000796682012 644775902 /nfs/dbraw/zinc/77/59/02/644775902.db2.gz IXJKARWTRDRATJ-ULQDDVLXSA-N 1 3 311.433 2.230 20 0 DEADHO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000908415387 644852721 /nfs/dbraw/zinc/85/27/21/644852721.db2.gz NKGHUUNHCQUEMQ-CJNGLKHVSA-N 1 3 314.433 2.455 20 0 DEADHO [NH3+]C[C@H]1CN(CC[C@H]2CC2(Cl)Cl)CC12CCOCC2 ZINC000843387745 650964262 /nfs/dbraw/zinc/96/42/62/650964262.db2.gz IIRHAIDZMNWSSB-RYUDHWBXSA-N 1 3 307.265 2.258 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H]1CCCCN1C ZINC000911999004 645903989 /nfs/dbraw/zinc/90/39/89/645903989.db2.gz WKJKKZXPWOIJAT-DLBZAZTESA-N 1 3 324.513 2.425 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H]1CCCCN1C ZINC000911999004 645903990 /nfs/dbraw/zinc/90/39/90/645903990.db2.gz WKJKKZXPWOIJAT-DLBZAZTESA-N 1 3 324.513 2.425 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H]2CCCCN2C)C1 ZINC000912002825 645905746 /nfs/dbraw/zinc/90/57/46/645905746.db2.gz UNSPKNNAPQCCOP-SJORKVTESA-N 1 3 324.513 2.282 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H]2CCCCN2C)C1 ZINC000912002825 645905751 /nfs/dbraw/zinc/90/57/51/645905751.db2.gz UNSPKNNAPQCCOP-SJORKVTESA-N 1 3 324.513 2.282 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)N1CCCCC1 ZINC000912764795 646160561 /nfs/dbraw/zinc/16/05/61/646160561.db2.gz KOGOJKLAKPMLRR-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)N1CCCCC1 ZINC000912764795 646160564 /nfs/dbraw/zinc/16/05/64/646160564.db2.gz KOGOJKLAKPMLRR-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO C[NH+]1C[C@@]2(C)CN(C(=O)C(C)(C)N3CCCCC3)C[C@]2(C)C1 ZINC000913269755 646307428 /nfs/dbraw/zinc/30/74/28/646307428.db2.gz JADBKYYNQPCRJT-ROUUACIJSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1CCCN(CCNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000810141884 646331294 /nfs/dbraw/zinc/33/12/94/646331294.db2.gz OMOQLYUKPPEJPU-WMLDXEAASA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H]1CCCN(CCNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000810141884 646331299 /nfs/dbraw/zinc/33/12/99/646331299.db2.gz OMOQLYUKPPEJPU-WMLDXEAASA-N 1 3 313.461 2.047 20 0 DEADHO Cc1cc(F)ccc1[C@@H](C)[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000815575975 647032165 /nfs/dbraw/zinc/03/21/65/647032165.db2.gz GLHRKSQWWUNKIP-CABCVRRESA-N 1 3 321.440 2.372 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc(N2CCCCC2=O)cc1 ZINC000817894136 647373821 /nfs/dbraw/zinc/37/38/21/647373821.db2.gz KAYRLAXHUJQKAX-DOTOQJQBSA-N 1 3 301.434 2.421 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000817918037 647380862 /nfs/dbraw/zinc/38/08/62/647380862.db2.gz GMQMDEFTWOTFHS-WFASDCNBSA-N 1 3 305.422 2.185 20 0 DEADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCOC2=O)cc1 ZINC000817921657 647381907 /nfs/dbraw/zinc/38/19/07/647381907.db2.gz GBIBMMWXINGESA-CVEARBPZSA-N 1 3 303.406 2.393 20 0 DEADHO C[C@@H]([NH3+])C[C@@H](C)NC[C@@H](O)c1cccc(Br)c1 ZINC000817928938 647383805 /nfs/dbraw/zinc/38/38/05/647383805.db2.gz INAXOMJFWCZDQM-GIPNMCIBSA-N 1 3 301.228 2.198 20 0 DEADHO COc1ccc([C@@H](C)[NH2+]C[C@@H](N)C2CC2)cc1Cn1cccn1 ZINC000817965971 647395685 /nfs/dbraw/zinc/39/56/85/647395685.db2.gz XYGJEXNGAWXELI-CXAGYDPISA-N 1 3 314.433 2.328 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(C[NH3+])c1 ZINC000818610764 647487947 /nfs/dbraw/zinc/48/79/47/647487947.db2.gz RVTWCCNHVCTAFL-KXBFYZLASA-N 1 3 323.440 2.396 20 0 DEADHO COC[C@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000819327790 647636748 /nfs/dbraw/zinc/63/67/48/647636748.db2.gz ILGVMLARRNVIBS-XVLXNVKGSA-N 1 3 318.461 2.169 20 0 DEADHO COC[C@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000819327790 647636751 /nfs/dbraw/zinc/63/67/51/647636751.db2.gz ILGVMLARRNVIBS-XVLXNVKGSA-N 1 3 318.461 2.169 20 0 DEADHO C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H]1COC2(CCCC2)O1 ZINC000820830406 647927719 /nfs/dbraw/zinc/92/77/19/647927719.db2.gz SGXWTNYJRRYCRV-YQAQFAQXSA-N 1 3 306.450 2.420 20 0 DEADHO C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H]1COC2(CCCC2)O1 ZINC000820830406 647927720 /nfs/dbraw/zinc/92/77/20/647927720.db2.gz SGXWTNYJRRYCRV-YQAQFAQXSA-N 1 3 306.450 2.420 20 0 DEADHO OC[C@@H]1CCC[N@@H+]1CCCCNCc1ccnc(Cl)c1F ZINC000823871456 648495042 /nfs/dbraw/zinc/49/50/42/648495042.db2.gz HXGRJDSVEGCAEK-ZDUSSCGKSA-N 1 3 315.820 2.201 20 0 DEADHO OC[C@@H]1CCC[N@H+]1CCCCNCc1ccnc(Cl)c1F ZINC000823871456 648495044 /nfs/dbraw/zinc/49/50/44/648495044.db2.gz HXGRJDSVEGCAEK-ZDUSSCGKSA-N 1 3 315.820 2.201 20 0 DEADHO CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000940918423 648971435 /nfs/dbraw/zinc/97/14/35/648971435.db2.gz PKSYLICUNSRCLT-SJORKVTESA-N 1 3 321.509 2.488 20 0 DEADHO CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000940918423 648971436 /nfs/dbraw/zinc/97/14/36/648971436.db2.gz PKSYLICUNSRCLT-SJORKVTESA-N 1 3 321.509 2.488 20 0 DEADHO CCN1CC[C@@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000299872975 649332038 /nfs/dbraw/zinc/33/20/38/649332038.db2.gz RUCVWPUDYRGOCM-GJZGRUSLSA-N 1 3 311.470 2.317 20 0 DEADHO CC(C)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001389347761 1155315861 /nfs/dbraw/zinc/31/58/61/1155315861.db2.gz OIZHNVNZWBLVDB-RDJZCZTQSA-N 1 3 309.498 2.486 20 0 DEADHO CN(C)[C@@H](CNC(=O)NCCCCCC[NH3+])c1ccccc1 ZINC000831088671 649536786 /nfs/dbraw/zinc/53/67/86/649536786.db2.gz IIUGILZBULBMSK-INIZCTEOSA-N 1 3 306.454 2.108 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)N2CCC[C@@H](CC[NH3+])C2)cc(Cl)n1 ZINC000834703420 649833418 /nfs/dbraw/zinc/83/34/18/649833418.db2.gz JRVCNCNNYZZLQM-JSGCOSHPSA-N 1 3 324.856 2.021 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCO[C@H](C(C)C)C1 ZINC000849037129 651591051 /nfs/dbraw/zinc/59/10/51/651591051.db2.gz PJYLUEDZUHWDLQ-OAGGEKHMSA-N 1 3 310.486 2.036 20 0 DEADHO COc1ccccc1CNC(=[NH2+])NCCN1CCCC1(C)C ZINC000849038961 651591915 /nfs/dbraw/zinc/59/19/15/651591915.db2.gz ATWMLVMXCVCITK-UHFFFAOYSA-N 1 3 304.438 2.184 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCNc1ccccc1F ZINC000849078959 651599216 /nfs/dbraw/zinc/59/92/16/651599216.db2.gz ULXCRCGUNIYPJK-AWEZNQCLSA-N 1 3 321.444 2.226 20 0 DEADHO CC(=O)NCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000850484025 651936706 /nfs/dbraw/zinc/93/67/06/651936706.db2.gz AUCQPPRLQWIWQZ-AYHJJNSGSA-N 1 3 301.434 2.038 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@H+](CC2CC(C)C2)C1 ZINC001390069290 1155519019 /nfs/dbraw/zinc/51/90/19/1155519019.db2.gz YYVQGWFBAORVJP-AQFXKWCLSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@@H+](CC2CC(C)C2)C1 ZINC001390069290 1155519036 /nfs/dbraw/zinc/51/90/36/1155519036.db2.gz YYVQGWFBAORVJP-AQFXKWCLSA-N 1 3 309.498 2.201 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc(Cl)n1 ZINC000851646792 652197953 /nfs/dbraw/zinc/19/79/53/652197953.db2.gz LSWQKVRMPWZAJF-SWHYSGLUSA-N 1 3 324.856 2.019 20 0 DEADHO CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H]1NCCc2ccccc21 ZINC000852829350 652465048 /nfs/dbraw/zinc/46/50/48/652465048.db2.gz IQRKLPNSELVYPD-WMLDXEAASA-N 1 3 303.450 2.001 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001373193473 1156882534 /nfs/dbraw/zinc/88/25/34/1156882534.db2.gz JXBDBQYTDQRSSG-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001373193473 1156882535 /nfs/dbraw/zinc/88/25/35/1156882535.db2.gz JXBDBQYTDQRSSG-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](CCNC(=O)[C@@H](N)CC1CC1)[N@H+](C)Cc1ccccc1 ZINC000379681202 685393259 /nfs/dbraw/zinc/39/32/59/685393259.db2.gz PQJQKJSDLCYRIS-YOEHRIQHSA-N 1 3 303.450 2.141 20 0 DEADHO C[C@@H](CCNC(=O)[C@@H](N)CC1CC1)[N@@H+](C)Cc1ccccc1 ZINC000379681202 685393263 /nfs/dbraw/zinc/39/32/63/685393263.db2.gz PQJQKJSDLCYRIS-YOEHRIQHSA-N 1 3 303.450 2.141 20 0 DEADHO CC(C)N1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000387461801 685423235 /nfs/dbraw/zinc/42/32/35/685423235.db2.gz XAROKSGDRCZTQT-MRXNPFEDSA-N 1 3 307.394 2.091 20 0 DEADHO C[C@H]1[NH2+]CCC[C@H]1NCCCOCCOCc1ccccc1 ZINC000396707800 685462878 /nfs/dbraw/zinc/46/28/78/685462878.db2.gz NXJFITVMMWTCBH-SJLPKXTDSA-N 1 3 306.450 2.340 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CCN1C ZINC000928437552 693779066 /nfs/dbraw/zinc/77/90/66/693779066.db2.gz QXPOAGZJZMQPTP-NXHRZFHOSA-N 1 3 315.461 2.075 20 0 DEADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[N@H+](C)Cc1ccccc1 ZINC000120115753 684092498 /nfs/dbraw/zinc/09/24/98/684092498.db2.gz SVWQJLIOCDQCLG-INIZCTEOSA-N 1 3 317.477 2.498 20 0 DEADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[N@@H+](C)Cc1ccccc1 ZINC000120115753 684092500 /nfs/dbraw/zinc/09/25/00/684092500.db2.gz SVWQJLIOCDQCLG-INIZCTEOSA-N 1 3 317.477 2.498 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054145808 693862433 /nfs/dbraw/zinc/86/24/33/693862433.db2.gz XPLKYBZSOLYQBT-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054145808 693862436 /nfs/dbraw/zinc/86/24/36/693862436.db2.gz XPLKYBZSOLYQBT-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](CC3CC3)C2)C1)N(C)C ZINC001054148686 693863292 /nfs/dbraw/zinc/86/32/92/693863292.db2.gz SXFSGIYJVVLWEU-HKUYNNGSSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CC3CC3)C2)C1)N(C)C ZINC001054148686 693863296 /nfs/dbraw/zinc/86/32/96/693863296.db2.gz SXFSGIYJVVLWEU-HKUYNNGSSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](CC3CC3)C2)C1)N(C)C ZINC001054192270 693875816 /nfs/dbraw/zinc/87/58/16/693875816.db2.gz SXFSGIYJVVLWEU-MJGOQNOKSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CC3CC3)C2)C1)N(C)C ZINC001054192270 693875818 /nfs/dbraw/zinc/87/58/18/693875818.db2.gz SXFSGIYJVVLWEU-MJGOQNOKSA-N 1 3 321.509 2.297 20 0 DEADHO CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001054197011 693877433 /nfs/dbraw/zinc/87/74/33/693877433.db2.gz QWWMCMWUMZTATL-SFHVURJKSA-N 1 3 307.482 2.053 20 0 DEADHO CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001054197011 693877437 /nfs/dbraw/zinc/87/74/37/693877437.db2.gz QWWMCMWUMZTATL-SFHVURJKSA-N 1 3 307.482 2.053 20 0 DEADHO CC(C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001054198504 693879981 /nfs/dbraw/zinc/87/99/81/693879981.db2.gz YMBAUJNOPLFFQW-SJLPKXTDSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001054198504 693879984 /nfs/dbraw/zinc/87/99/84/693879984.db2.gz YMBAUJNOPLFFQW-SJLPKXTDSA-N 1 3 307.482 2.194 20 0 DEADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C[C@H]1CN(CC)C(=O)O1 ZINC000859996638 685867892 /nfs/dbraw/zinc/86/78/92/685867892.db2.gz DJEYIMQDBSRQGS-KRWDZBQOSA-N 1 3 319.449 2.411 20 0 DEADHO CN(C(=O)Nc1cccc(C[NH+](C)C)c1)[C@@H]1CCCN(C)C1 ZINC000929562899 693980132 /nfs/dbraw/zinc/98/01/32/693980132.db2.gz IRBSRRCSVJSRIB-MRXNPFEDSA-N 1 3 304.438 2.306 20 0 DEADHO O[C@@H](CNCCc1c[nH]c2ccc(Cl)cc12)C[NH+]1CCCC1 ZINC000863553323 686520861 /nfs/dbraw/zinc/52/08/61/686520861.db2.gz ZLFLEOBPBHHWQJ-HNNXBMFYSA-N 1 3 321.852 2.410 20 0 DEADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CCC1CCCC1 ZINC001054735080 694035265 /nfs/dbraw/zinc/03/52/65/694035265.db2.gz HOTQJVPXLSMTNI-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC001054740016 694036071 /nfs/dbraw/zinc/03/60/71/694036071.db2.gz UTFZMGPAKICQQB-ZBFHGGJFSA-N 1 3 321.509 2.343 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001054739071 694036516 /nfs/dbraw/zinc/03/65/16/694036516.db2.gz RUWFDCFTCGTYIM-WMLDXEAASA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@H](C(=O)NCC1(NC/C=C\Cl)CC1)[NH+]1CCCC1 ZINC001375553643 1158811017 /nfs/dbraw/zinc/81/10/17/1158811017.db2.gz DFKYDNVMMHGPMJ-BMWLXYDHSA-N 1 3 313.873 2.098 20 0 DEADHO C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CC2(CO1)CCOCC2 ZINC000866534851 687604263 /nfs/dbraw/zinc/60/42/63/687604263.db2.gz ZOXVXBXCJOEFON-QGZVFWFLSA-N 1 3 308.466 2.036 20 0 DEADHO CNC(=O)c1ccc(CN2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1 ZINC000866707156 687660681 /nfs/dbraw/zinc/66/06/81/687660681.db2.gz SUPITDOUFLFKJH-SFHVURJKSA-N 1 3 303.450 2.243 20 0 DEADHO COC[C@H](C[NH+]1CCN(c2ccncc2OC)CC1)C(C)C ZINC000930295915 694129778 /nfs/dbraw/zinc/12/97/78/694129778.db2.gz JYFUCYRXTMXSBP-HNNXBMFYSA-N 1 3 307.438 2.131 20 0 DEADHO CC[NH+]1CCC2(C[C@@H]2NC(=O)c2ccccc2CN(C)C)CC1 ZINC001016982868 687749913 /nfs/dbraw/zinc/74/99/13/687749913.db2.gz MSFFGXPDVWTIJJ-KRWDZBQOSA-N 1 3 315.461 2.352 20 0 DEADHO C[N@H+](CC1CC1)C[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001017209854 687824507 /nfs/dbraw/zinc/82/45/07/687824507.db2.gz UMUAROPYGFCDOJ-KRWDZBQOSA-N 1 3 321.509 2.299 20 0 DEADHO C[N@@H+](CC1CC1)C[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001017209854 687824511 /nfs/dbraw/zinc/82/45/11/687824511.db2.gz UMUAROPYGFCDOJ-KRWDZBQOSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)(C(=O)N1CC[C@H]([NH2+]CC2CCC2)C1)N1CCCCC1 ZINC001018848994 688243023 /nfs/dbraw/zinc/24/30/23/688243023.db2.gz MDKWDKNQAJHDOQ-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C1)C1CC1 ZINC001018967964 688263940 /nfs/dbraw/zinc/26/39/40/688263940.db2.gz NNRMOICGFRZAPB-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cccc(C)c2)C1)N(C)C ZINC001019033677 688274472 /nfs/dbraw/zinc/27/44/72/688274472.db2.gz ZIISJRZKYIVMDY-DLBZAZTESA-N 1 3 303.450 2.026 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C1)N(C)C ZINC001019394688 688346354 /nfs/dbraw/zinc/34/63/54/688346354.db2.gz NAJTXMVHESASSO-IRXDYDNUSA-N 1 3 307.482 2.408 20 0 DEADHO CC1CC(C[N@H+](C)C[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001029755101 688573165 /nfs/dbraw/zinc/57/31/65/688573165.db2.gz IYQBLPNWZXFFSB-CGZBRXJRSA-N 1 3 321.509 2.297 20 0 DEADHO CC1CC(C[N@@H+](C)C[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001029755101 688573167 /nfs/dbraw/zinc/57/31/67/688573167.db2.gz IYQBLPNWZXFFSB-CGZBRXJRSA-N 1 3 321.509 2.297 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000871765515 688863625 /nfs/dbraw/zinc/86/36/25/688863625.db2.gz YQVBHQOAUZTLPJ-DLBZAZTESA-N 1 3 316.449 2.449 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)c1 ZINC000871765515 688863628 /nfs/dbraw/zinc/86/36/28/688863628.db2.gz YQVBHQOAUZTLPJ-DLBZAZTESA-N 1 3 316.449 2.449 20 0 DEADHO c1ccc2c(c1)CNC[C@@H]2c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871800751 688872781 /nfs/dbraw/zinc/87/27/81/688872781.db2.gz SKARSAJTPKBIDK-HUORLRHWSA-N 1 3 310.401 2.303 20 0 DEADHO Cc1cc2c(CCNC[C@H](O)C[NH+]3CCCC3)c[nH]c2cc1F ZINC000872225723 688957675 /nfs/dbraw/zinc/95/76/75/688957675.db2.gz NYIIAOGIPRQVNM-HNNXBMFYSA-N 1 3 319.424 2.204 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCC1C[NH+](CC2CCCC2)C1 ZINC001031713594 688984479 /nfs/dbraw/zinc/98/44/79/688984479.db2.gz CITPIOHYDKPFCR-QGZVFWFLSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1C[NH+](CC[C@H](C)F)C1 ZINC001032026437 689044705 /nfs/dbraw/zinc/04/47/05/689044705.db2.gz FTFUCSQHJBDJOH-GOEBONIOSA-N 1 3 313.461 2.045 20 0 DEADHO O=C(N1C[C@@H]2C[C@H]1CN2CC1CCCC1)C12CCC[NH+]1CCC2 ZINC001032498153 689167512 /nfs/dbraw/zinc/16/75/12/689167512.db2.gz IZTBWGJHUDTRIL-IRXDYDNUSA-N 1 3 317.477 2.090 20 0 DEADHO COc1ccc([C@@H]2CN(C[C@@H]3CC[NH2+][C@H](C)C3)CCO2)cc1 ZINC000873221211 689186857 /nfs/dbraw/zinc/18/68/57/689186857.db2.gz GXLVCEPPAOGHCV-RKVPGOIHSA-N 1 3 304.434 2.457 20 0 DEADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC(C)(C)C)C1 ZINC001032627707 689206916 /nfs/dbraw/zinc/20/69/16/689206916.db2.gz GFSMIDKFXFGJSM-JYJNAYRXSA-N 1 3 307.482 2.050 20 0 DEADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC(C)(C)C)C1 ZINC001032627707 689206917 /nfs/dbraw/zinc/20/69/17/689206917.db2.gz GFSMIDKFXFGJSM-JYJNAYRXSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCCCC1 ZINC001032801443 689264392 /nfs/dbraw/zinc/26/43/92/689264392.db2.gz WPIJKVUVHHKYQN-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001032803888 689265647 /nfs/dbraw/zinc/26/56/47/689265647.db2.gz PKTXEQGFFQZORZ-BZSNNMDCSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001033070079 689376562 /nfs/dbraw/zinc/37/65/62/689376562.db2.gz NFYHATAFXJIYBZ-IRXDYDNUSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001033070079 689376567 /nfs/dbraw/zinc/37/65/67/689376567.db2.gz NFYHATAFXJIYBZ-IRXDYDNUSA-N 1 3 309.498 2.438 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001033127572 689397856 /nfs/dbraw/zinc/39/78/56/689397856.db2.gz WAFQJBCXKXKZDD-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033127572 689397859 /nfs/dbraw/zinc/39/78/59/689397859.db2.gz WAFQJBCXKXKZDD-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCN(CC=C(C)C)C1 ZINC001033125421 689398612 /nfs/dbraw/zinc/39/86/12/689398612.db2.gz DIKGPBHSKLGWAS-IAGOWNOFSA-N 1 3 307.482 2.360 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCN(CC=C(C)C)C1 ZINC001033125421 689398613 /nfs/dbraw/zinc/39/86/13/689398613.db2.gz DIKGPBHSKLGWAS-IAGOWNOFSA-N 1 3 307.482 2.360 20 0 DEADHO CN(C(=O)[C@@H](C1CC1)N1CCCC1)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001033295769 689452179 /nfs/dbraw/zinc/45/21/79/689452179.db2.gz NLPCBMYHBQRFRK-QZTJIDSGSA-N 1 3 319.493 2.194 20 0 DEADHO CN(C(=O)[C@@H](C1CC1)N1CCCC1)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033295769 689452183 /nfs/dbraw/zinc/45/21/83/689452183.db2.gz NLPCBMYHBQRFRK-QZTJIDSGSA-N 1 3 319.493 2.194 20 0 DEADHO CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033365522 689477967 /nfs/dbraw/zinc/47/79/67/689477967.db2.gz OIPIGCKYTBSHCO-IAGOWNOFSA-N 1 3 307.482 2.336 20 0 DEADHO CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033365522 689477970 /nfs/dbraw/zinc/47/79/70/689477970.db2.gz OIPIGCKYTBSHCO-IAGOWNOFSA-N 1 3 307.482 2.336 20 0 DEADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000874833144 689508152 /nfs/dbraw/zinc/50/81/52/689508152.db2.gz JEVJZPQVOKHJBM-HOTGVXAUSA-N 1 3 307.482 2.194 20 0 DEADHO CCCC[N@H+](CC1(CO)COC1)C1CC(C)(C)NC(C)(C)C1 ZINC000931033910 694299125 /nfs/dbraw/zinc/29/91/25/694299125.db2.gz MLXHVQQFVSSSFJ-UHFFFAOYSA-N 1 3 312.498 2.407 20 0 DEADHO CCCC[N@@H+](CC1(CO)COC1)C1CC(C)(C)NC(C)(C)C1 ZINC000931033910 694299127 /nfs/dbraw/zinc/29/91/27/694299127.db2.gz MLXHVQQFVSSSFJ-UHFFFAOYSA-N 1 3 312.498 2.407 20 0 DEADHO CCCCN(C[C@@H](O)[C@H](C)O)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034197 694298753 /nfs/dbraw/zinc/29/87/53/694298753.db2.gz QCOCEIBIFZYIEW-DZGCQCFKSA-N 1 3 300.487 2.139 20 0 DEADHO C[N@@H+]1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CCC1(C)C ZINC000875535398 689644769 /nfs/dbraw/zinc/64/47/69/689644769.db2.gz NXRPRWNADJYXOE-MRXNPFEDSA-N 1 3 322.497 2.129 20 0 DEADHO C[N@H+]1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CCC1(C)C ZINC000875535398 689644770 /nfs/dbraw/zinc/64/47/70/689644770.db2.gz NXRPRWNADJYXOE-MRXNPFEDSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](C(C)C)C1 ZINC001034288027 689796138 /nfs/dbraw/zinc/79/61/38/689796138.db2.gz LJUQGIHRFRLMRP-IAGOWNOFSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](C(C)C)C1 ZINC001034288027 689796140 /nfs/dbraw/zinc/79/61/40/689796140.db2.gz LJUQGIHRFRLMRP-IAGOWNOFSA-N 1 3 309.498 2.486 20 0 DEADHO O=C(/C=C\[C@H]1CCC[NH2+]C1)N1CCN(CC2CCCCC2)CC1 ZINC000876718766 689914102 /nfs/dbraw/zinc/91/41/02/689914102.db2.gz SZYCZZQABYWPBX-XZVRFQMRSA-N 1 3 319.493 2.267 20 0 DEADHO CC(C)CN(C(=O)[C@]12CCC[C@H]1[NH2+]CC2)C1CCN(C)CC1 ZINC000876876993 689961514 /nfs/dbraw/zinc/96/15/14/689961514.db2.gz XMJFJDAEYXXJNR-AEFFLSMTSA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001034959870 689999234 /nfs/dbraw/zinc/99/92/34/689999234.db2.gz HDSWBAAYUPHVIS-IAGOWNOFSA-N 1 3 321.509 2.343 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccsc1)C1CC1 ZINC001034959912 689999620 /nfs/dbraw/zinc/99/96/20/689999620.db2.gz ISZHTMLOUMRIRI-CVEARBPZSA-N 1 3 321.490 2.169 20 0 DEADHO CC(C)[NH+]1CCC(O)(CNCc2cccc(Cl)c2N)CC1 ZINC000877084550 690014993 /nfs/dbraw/zinc/01/49/93/690014993.db2.gz HJEXMQBRFDNDLP-UHFFFAOYSA-N 1 3 311.857 2.247 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CC2CCCC2)C1 ZINC001035048887 690020849 /nfs/dbraw/zinc/02/08/49/690020849.db2.gz JBIKINSRCXYQGG-DOTOQJQBSA-N 1 3 307.482 2.099 20 0 DEADHO CCOC(=O)c1cc(CNC2CCC(C[NH+](C)C)CC2)on1 ZINC000877114747 690021101 /nfs/dbraw/zinc/02/11/01/690021101.db2.gz ZSGKDEHWLRHHAX-UHFFFAOYSA-N 1 3 309.410 2.061 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CC2CCCCC2)C1 ZINC001035049766 690021376 /nfs/dbraw/zinc/02/13/76/690021376.db2.gz SFMPFGGUNWQJCL-FUHWJXTLSA-N 1 3 321.509 2.489 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](CCC3CC3)C2)CC1 ZINC001035166623 690045777 /nfs/dbraw/zinc/04/57/77/690045777.db2.gz RTVWGDOIHLCQEV-KRWDZBQOSA-N 1 3 319.493 2.195 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](CCC3CC3)C2)CC1 ZINC001035166623 690045780 /nfs/dbraw/zinc/04/57/80/690045780.db2.gz RTVWGDOIHLCQEV-KRWDZBQOSA-N 1 3 319.493 2.195 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC2(CC[N@H+](CCC3CC3)C2)CC1 ZINC001035232126 690067648 /nfs/dbraw/zinc/06/76/48/690067648.db2.gz YAIYNTFXAHTBQB-UHFFFAOYSA-N 1 3 316.449 2.067 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC2(CC[N@@H+](CCC3CC3)C2)CC1 ZINC001035232126 690067653 /nfs/dbraw/zinc/06/76/53/690067653.db2.gz YAIYNTFXAHTBQB-UHFFFAOYSA-N 1 3 316.449 2.067 20 0 DEADHO N[C@H](CC(F)F)C(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000877452693 690117198 /nfs/dbraw/zinc/11/71/98/690117198.db2.gz QMCRHFGEOXNYOO-MRVWCRGKSA-N 1 3 317.424 2.115 20 0 DEADHO CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](C1CC1)N(C)C)CC2 ZINC001035721161 690161064 /nfs/dbraw/zinc/16/10/64/690161064.db2.gz RLPMWQKQSGBCKP-DOTOQJQBSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C1CC1)N(C)C)CC2 ZINC001035720814 690161086 /nfs/dbraw/zinc/16/10/86/690161086.db2.gz NMRIQSAQDJOFAE-QGZVFWFLSA-N 1 3 321.509 2.297 20 0 DEADHO CCCC[NH+]1CC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001035723526 690161664 /nfs/dbraw/zinc/16/16/64/690161664.db2.gz JJOKBOXNJFJCJR-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CC[C@@H](C(=O)N1CCC2(C[NH+](CCC(C)C)C2)CC1)N(C)C ZINC001035799461 690179686 /nfs/dbraw/zinc/17/96/86/690179686.db2.gz ZYFNGHWVDMTXLX-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CC1CCN(CC(=O)N2CCC3(C[NH+](CC4CC4)C3)CC2)CC1 ZINC001035824007 690185842 /nfs/dbraw/zinc/18/58/42/690185842.db2.gz PIRSFUXHCJFZSU-UHFFFAOYSA-N 1 3 319.493 2.053 20 0 DEADHO CN1CC[C@@H]2C[N@H+](Cc3cc(-n4ccnc4)cs3)CC[C@@H]21 ZINC000877739464 690210032 /nfs/dbraw/zinc/21/00/32/690210032.db2.gz GIBJSIMKVWDVLV-CJNGLKHVSA-N 1 3 302.447 2.460 20 0 DEADHO CN1CC[C@@H]2C[N@@H+](Cc3cc(-n4ccnc4)cs3)CC[C@@H]21 ZINC000877739464 690210035 /nfs/dbraw/zinc/21/00/35/690210035.db2.gz GIBJSIMKVWDVLV-CJNGLKHVSA-N 1 3 302.447 2.460 20 0 DEADHO Cc1nccn1CCCC[NH+]1CCC(N2CCCOCC2)CC1 ZINC000931286949 694356820 /nfs/dbraw/zinc/35/68/20/694356820.db2.gz QMWCXMLEYASDHJ-UHFFFAOYSA-N 1 3 320.481 2.158 20 0 DEADHO Cc1nccn1CCCCN1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931286949 694356823 /nfs/dbraw/zinc/35/68/23/694356823.db2.gz QMWCXMLEYASDHJ-UHFFFAOYSA-N 1 3 320.481 2.158 20 0 DEADHO Cc1nccn1CCCCN1CCC([N@H+]2CCCOCC2)CC1 ZINC000931286949 694356827 /nfs/dbraw/zinc/35/68/27/694356827.db2.gz QMWCXMLEYASDHJ-UHFFFAOYSA-N 1 3 320.481 2.158 20 0 DEADHO C[C@@H]1C[C@H](c2ccccc2)CN1CC(=O)NC1CC[NH+](C)CC1 ZINC000878107868 690312872 /nfs/dbraw/zinc/31/28/72/690312872.db2.gz BHMKXGSHTKIJFI-WBVHZDCISA-N 1 3 315.461 2.075 20 0 DEADHO CN1CCCC[C@H]1CC[N@H+](C)C[C@@H](O)C[C@@H](O)c1ccccc1 ZINC000878134625 690320855 /nfs/dbraw/zinc/32/08/55/690320855.db2.gz DEYXAZSIADNDIO-GBESFXJTSA-N 1 3 320.477 2.277 20 0 DEADHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@@H](O)C[C@@H](O)c1ccccc1 ZINC000878134625 690320856 /nfs/dbraw/zinc/32/08/56/690320856.db2.gz DEYXAZSIADNDIO-GBESFXJTSA-N 1 3 320.477 2.277 20 0 DEADHO CN1CCCC[C@@H]1CC[N@H+](C)C[C@H](O)CC1(CO)CCCC1 ZINC000878136417 690322059 /nfs/dbraw/zinc/32/20/59/690322059.db2.gz YCXVBHAHWYFKQQ-IAGOWNOFSA-N 1 3 312.498 2.096 20 0 DEADHO CN1CCCC[C@@H]1CC[N@@H+](C)C[C@H](O)CC1(CO)CCCC1 ZINC000878136417 690322061 /nfs/dbraw/zinc/32/20/61/690322061.db2.gz YCXVBHAHWYFKQQ-IAGOWNOFSA-N 1 3 312.498 2.096 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)CC2(CO)CCCC2)C[C@@H]1C ZINC000878163761 690331023 /nfs/dbraw/zinc/33/10/23/690331023.db2.gz VIQSNGOCLPAUOO-YESZJQIVSA-N 1 3 312.498 2.095 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)CC2(CO)CCCC2)C[C@@H]1C ZINC000878163761 690331027 /nfs/dbraw/zinc/33/10/27/690331027.db2.gz VIQSNGOCLPAUOO-YESZJQIVSA-N 1 3 312.498 2.095 20 0 DEADHO CC[C@](C)(NCC(=O)NC1CC[NH+](C)CC1)c1ccccc1 ZINC000878362278 690388100 /nfs/dbraw/zinc/38/81/00/690388100.db2.gz QXJNGHORKXJHOL-SFHVURJKSA-N 1 3 303.450 2.112 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1 ZINC001036830594 690491067 /nfs/dbraw/zinc/49/10/67/690491067.db2.gz XZEGGYPYXYXYEA-WMZOPIPTSA-N 1 3 324.428 2.075 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2[C@@H](CC[N@H+]2Cc2ccccc2)C1 ZINC001036830594 690491071 /nfs/dbraw/zinc/49/10/71/690491071.db2.gz XZEGGYPYXYXYEA-WMZOPIPTSA-N 1 3 324.428 2.075 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001038237599 690752040 /nfs/dbraw/zinc/75/20/40/690752040.db2.gz DLZMWVDLARSURI-IAGOWNOFSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001038237599 690752043 /nfs/dbraw/zinc/75/20/43/690752043.db2.gz DLZMWVDLARSURI-IAGOWNOFSA-N 1 3 321.509 2.486 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC(C)(C)C ZINC001038320153 690779224 /nfs/dbraw/zinc/77/92/24/690779224.db2.gz GGGPKKFSAHHFMF-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCC(C)(C)C ZINC001038320153 690779228 /nfs/dbraw/zinc/77/92/28/690779228.db2.gz GGGPKKFSAHHFMF-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1CC1CCCC1 ZINC001038444357 690824989 /nfs/dbraw/zinc/82/49/89/690824989.db2.gz MBJCLFIUJLYLCV-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1CC1CCCC1 ZINC001038444357 690824993 /nfs/dbraw/zinc/82/49/93/690824993.db2.gz MBJCLFIUJLYLCV-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](c3nccs3)C2)CC1 ZINC000880319103 690869246 /nfs/dbraw/zinc/86/92/46/690869246.db2.gz AWPRVVMYQBDFJG-MRXNPFEDSA-N 1 3 322.522 2.349 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](c3nccs3)C2)CC1 ZINC000880319103 690869248 /nfs/dbraw/zinc/86/92/48/690869248.db2.gz AWPRVVMYQBDFJG-MRXNPFEDSA-N 1 3 322.522 2.349 20 0 DEADHO C[NH+](C)CC1(O)CCN(Cc2cc(F)cc3cccnc32)CC1 ZINC000931486920 694410150 /nfs/dbraw/zinc/41/01/50/694410150.db2.gz ZUDAACQNKJQCOZ-UHFFFAOYSA-N 1 3 317.408 2.262 20 0 DEADHO C[NH+](C)CC1(O)CCN(CCOc2cccc(Cl)c2)CC1 ZINC000931487532 694410230 /nfs/dbraw/zinc/41/02/30/694410230.db2.gz DOJWOABFYVMUID-UHFFFAOYSA-N 1 3 312.841 2.107 20 0 DEADHO CN(CCCC[NH+]1CCCCC1)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000880517233 690916111 /nfs/dbraw/zinc/91/61/11/690916111.db2.gz MXHMDUPQQOJATR-INIZCTEOSA-N 1 3 309.454 2.168 20 0 DEADHO CCCCN1CC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001038818579 690933259 /nfs/dbraw/zinc/93/32/59/690933259.db2.gz PKENHVRYQPMPLF-KRWDZBQOSA-N 1 3 303.450 2.352 20 0 DEADHO C[NH+](C)CC1(O)CCN(CCSC2CCCCC2)CC1 ZINC000931482437 694408833 /nfs/dbraw/zinc/40/88/33/694408833.db2.gz UOWTWGYLCDZOIX-UHFFFAOYSA-N 1 3 300.512 2.441 20 0 DEADHO CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001039113337 691022516 /nfs/dbraw/zinc/02/25/16/691022516.db2.gz LQLIJIJSGHTLLO-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001039113337 691022518 /nfs/dbraw/zinc/02/25/18/691022518.db2.gz LQLIJIJSGHTLLO-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001039112986 691022529 /nfs/dbraw/zinc/02/25/29/691022529.db2.gz KBIIJLZSNBSGGG-DLBZAZTESA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001039112986 691022532 /nfs/dbraw/zinc/02/25/32/691022532.db2.gz KBIIJLZSNBSGGG-DLBZAZTESA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@@H+]1CC[C@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001039134248 691030115 /nfs/dbraw/zinc/03/01/15/691030115.db2.gz OAYZJLRLMLWOIX-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1CC[C@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001039134248 691030119 /nfs/dbraw/zinc/03/01/19/691030119.db2.gz OAYZJLRLMLWOIX-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001039133989 691030154 /nfs/dbraw/zinc/03/01/54/691030154.db2.gz NJHPROLEZGFFSE-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@H+]1CC[C@@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001039133989 691030157 /nfs/dbraw/zinc/03/01/57/691030157.db2.gz NJHPROLEZGFFSE-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039214093 691057548 /nfs/dbraw/zinc/05/75/48/691057548.db2.gz NJWFGHQDOOAESP-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039214093 691057550 /nfs/dbraw/zinc/05/75/50/691057550.db2.gz NJWFGHQDOOAESP-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC1 ZINC001039652788 691136414 /nfs/dbraw/zinc/13/64/14/691136414.db2.gz OVCJOLTXMKYIJB-KURKYZTESA-N 1 3 319.493 2.336 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC1 ZINC001039652788 691136415 /nfs/dbraw/zinc/13/64/15/691136415.db2.gz OVCJOLTXMKYIJB-KURKYZTESA-N 1 3 319.493 2.336 20 0 DEADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC1 ZINC001039652789 691136444 /nfs/dbraw/zinc/13/64/44/691136444.db2.gz OVCJOLTXMKYIJB-OKZBNKHCSA-N 1 3 319.493 2.336 20 0 DEADHO C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC1 ZINC001039652789 691136447 /nfs/dbraw/zinc/13/64/47/691136447.db2.gz OVCJOLTXMKYIJB-OKZBNKHCSA-N 1 3 319.493 2.336 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)CCC1 ZINC001040236010 691217937 /nfs/dbraw/zinc/21/79/37/691217937.db2.gz JMNPRBLEMFRNBM-GOSISDBHSA-N 1 3 319.493 2.195 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)CCC1 ZINC001040236010 691217940 /nfs/dbraw/zinc/21/79/40/691217940.db2.gz JMNPRBLEMFRNBM-GOSISDBHSA-N 1 3 319.493 2.195 20 0 DEADHO CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001040377991 691239087 /nfs/dbraw/zinc/23/90/87/691239087.db2.gz CCYANOAZWIIBKV-AEFFLSMTSA-N 1 3 309.498 2.297 20 0 DEADHO CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001040377991 691239088 /nfs/dbraw/zinc/23/90/88/691239088.db2.gz CCYANOAZWIIBKV-AEFFLSMTSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC001040395019 691242661 /nfs/dbraw/zinc/24/26/61/691242661.db2.gz NQSLODVDOFCMGE-LPHOPBHVSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC001040395019 691242665 /nfs/dbraw/zinc/24/26/65/691242665.db2.gz NQSLODVDOFCMGE-LPHOPBHVSA-N 1 3 319.493 2.195 20 0 DEADHO CC(C)C[NH+]1CCC2(CCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001040730182 691283025 /nfs/dbraw/zinc/28/30/25/691283025.db2.gz SGLVCRNNJDZBIT-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[NH+]1CCC2(CCN(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001040846544 691292931 /nfs/dbraw/zinc/29/29/31/691292931.db2.gz FMERCHFJXHBZDA-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001041286402 691356671 /nfs/dbraw/zinc/35/66/71/691356671.db2.gz LMWLWKPRKYJRDS-SFHVURJKSA-N 1 3 307.482 2.195 20 0 DEADHO CC[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001041286402 691356674 /nfs/dbraw/zinc/35/66/74/691356674.db2.gz LMWLWKPRKYJRDS-SFHVURJKSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041356262 691366924 /nfs/dbraw/zinc/36/69/24/691366924.db2.gz WHDXAOCJSFATGK-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041356262 691366925 /nfs/dbraw/zinc/36/69/25/691366925.db2.gz WHDXAOCJSFATGK-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CN(CC(=O)N1CC[C@@]2(CC[N@H+](CCC3CC3)C2)C1)C1CCC1 ZINC001041359214 691367042 /nfs/dbraw/zinc/36/70/42/691367042.db2.gz UJJBUOJXMJWXRF-LJQANCHMSA-N 1 3 319.493 2.195 20 0 DEADHO CN(CC(=O)N1CC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1)C1CCC1 ZINC001041359214 691367045 /nfs/dbraw/zinc/36/70/45/691367045.db2.gz UJJBUOJXMJWXRF-LJQANCHMSA-N 1 3 319.493 2.195 20 0 DEADHO CC[C@H](C(=O)N1CC[C@]2(CC[N@H+](CC3CCCC3)C2)C1)N(C)C ZINC001041402886 691371341 /nfs/dbraw/zinc/37/13/41/691371341.db2.gz KOTOOHBHKLBOSE-MJGOQNOKSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CC3CCCC3)C2)C1)N(C)C ZINC001041402886 691371344 /nfs/dbraw/zinc/37/13/44/691371344.db2.gz KOTOOHBHKLBOSE-MJGOQNOKSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001041674124 691409002 /nfs/dbraw/zinc/40/90/02/691409002.db2.gz IEFUPKJGUYNIGL-PKOBYXMFSA-N 1 3 319.493 2.361 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001041674124 691409005 /nfs/dbraw/zinc/40/90/05/691409005.db2.gz IEFUPKJGUYNIGL-PKOBYXMFSA-N 1 3 319.493 2.361 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CCC(C)C)C2)C1)N(C)C ZINC001041686974 691410212 /nfs/dbraw/zinc/41/02/12/691410212.db2.gz OIVBBOHKXITNTG-FUHWJXTLSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCC(C)C)C2)C1)N(C)C ZINC001041686974 691410216 /nfs/dbraw/zinc/41/02/16/691410216.db2.gz OIVBBOHKXITNTG-FUHWJXTLSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)N1CCC([NH2+]Cc2ccc(N3CCNC3=O)cc2)CC1 ZINC000883283956 691471495 /nfs/dbraw/zinc/47/14/95/691471495.db2.gz AGNVIXYXOCAGGJ-UHFFFAOYSA-N 1 3 316.449 2.179 20 0 DEADHO O=C(CC[N@@H+]1CCNCCC12CCC2)Nc1cccc(F)c1 ZINC000883457567 691516499 /nfs/dbraw/zinc/51/64/99/691516499.db2.gz HLIRLZZGSIYLPY-UHFFFAOYSA-N 1 3 305.397 2.372 20 0 DEADHO O=C(CC[N@H+]1CCNCCC12CCC2)Nc1cccc(F)c1 ZINC000883457567 691516502 /nfs/dbraw/zinc/51/65/02/691516502.db2.gz HLIRLZZGSIYLPY-UHFFFAOYSA-N 1 3 305.397 2.372 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001042187135 691532184 /nfs/dbraw/zinc/53/21/84/691532184.db2.gz LWJJUOMNBUUWPD-SJORKVTESA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001042187135 691532188 /nfs/dbraw/zinc/53/21/88/691532188.db2.gz LWJJUOMNBUUWPD-SJORKVTESA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000884178036 691674934 /nfs/dbraw/zinc/67/49/34/691674934.db2.gz BADPUXNGXJOCSY-SJORKVTESA-N 1 3 319.493 2.285 20 0 DEADHO N[C@@H](CC1CC1)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000884199532 691680333 /nfs/dbraw/zinc/68/03/33/691680333.db2.gz CQAQVNBRNJMPQZ-KRWDZBQOSA-N 1 3 301.434 2.391 20 0 DEADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H](N)CC3CC3)C2)CC1 ZINC000884204989 691682352 /nfs/dbraw/zinc/68/23/52/691682352.db2.gz JODJAVMTSJNSPZ-IRXDYDNUSA-N 1 3 307.482 2.084 20 0 DEADHO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H](N)CC1CC1)c1ccccc1 ZINC000884212720 691684289 /nfs/dbraw/zinc/68/42/89/691684289.db2.gz LJDUMTUOPOMDQW-XJKSGUPXSA-N 1 3 303.450 2.359 20 0 DEADHO CC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC001044869463 691900058 /nfs/dbraw/zinc/90/00/58/691900058.db2.gz ZWORWUWLVVBHEO-WMLDXEAASA-N 1 3 303.450 2.351 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccsc2)CCC1 ZINC001045065719 691934798 /nfs/dbraw/zinc/93/47/98/691934798.db2.gz DTIURKJEGYPSLK-HNNXBMFYSA-N 1 3 321.490 2.313 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1)N(C)C ZINC001045078109 691935247 /nfs/dbraw/zinc/93/52/47/691935247.db2.gz AAAUWBQSHBTQMR-ROUUACIJSA-N 1 3 317.477 2.353 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1)N(C)C ZINC001045796838 692028925 /nfs/dbraw/zinc/02/89/25/692028925.db2.gz CLAJQVLXVOXDQG-SQNIBIBYSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1)N(C)C ZINC001045796838 692028928 /nfs/dbraw/zinc/02/89/28/692028928.db2.gz CLAJQVLXVOXDQG-SQNIBIBYSA-N 1 3 321.509 2.438 20 0 DEADHO Cc1ccc(CN2CC[C@](C)(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001046834924 692311737 /nfs/dbraw/zinc/31/17/37/692311737.db2.gz XYDSQCYEGMCALS-MJGOQNOKSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccc(CN2CC[C@](C)(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001046834924 692311741 /nfs/dbraw/zinc/31/17/41/692311741.db2.gz XYDSQCYEGMCALS-MJGOQNOKSA-N 1 3 315.461 2.027 20 0 DEADHO CCC[N@@H+]1CC[C@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001046854380 692317269 /nfs/dbraw/zinc/31/72/69/692317269.db2.gz KGXIGFSLKKEOBY-SFHVURJKSA-N 1 3 303.450 2.352 20 0 DEADHO CCC[N@H+]1CC[C@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001046854380 692317272 /nfs/dbraw/zinc/31/72/72/692317272.db2.gz KGXIGFSLKKEOBY-SFHVURJKSA-N 1 3 303.450 2.352 20 0 DEADHO CC[NH+]1CCC([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001047243431 692401118 /nfs/dbraw/zinc/40/11/18/692401118.db2.gz LJULKVAMTLCPBP-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC)CC1 ZINC001048606463 692658078 /nfs/dbraw/zinc/65/80/78/692658078.db2.gz NHXOFJXTPXKKCO-BRWVUGGUSA-N 1 3 309.498 2.393 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCCC3CCC3)C[C@@H]2C1)N(C)C ZINC001049067188 692754789 /nfs/dbraw/zinc/75/47/89/692754789.db2.gz RQOOVZWJBDHIEH-KSZLIROESA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCCC3CCC3)C[C@@H]2C1)N(C)C ZINC001049067188 692754791 /nfs/dbraw/zinc/75/47/91/692754791.db2.gz RQOOVZWJBDHIEH-KSZLIROESA-N 1 3 321.509 2.297 20 0 DEADHO C[NH+](C)Cc1cccc(CN[C@H]2CCC3(C[C@@H]2F)OCCO3)c1 ZINC000893329216 692967552 /nfs/dbraw/zinc/96/75/52/692967552.db2.gz CARDNRPHCGEJIL-IRXDYDNUSA-N 1 3 322.424 2.472 20 0 DEADHO C[NH+](C)Cc1cccc(CN[C@H]2CCC3(C[C@H]2F)OCCO3)c1 ZINC000893329217 692967590 /nfs/dbraw/zinc/96/75/90/692967590.db2.gz CARDNRPHCGEJIL-SJORKVTESA-N 1 3 322.424 2.472 20 0 DEADHO COC(=O)[C@@H]1[C@@H](CN2CCC(CCC[NH+](C)C)CC2)C1(F)F ZINC000894057497 692975273 /nfs/dbraw/zinc/97/52/73/692975273.db2.gz KXLTWDQFQBXIBP-KGLIPLIRSA-N 1 3 318.408 2.095 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049849746 693022296 /nfs/dbraw/zinc/02/22/96/693022296.db2.gz PRROHQJMXDZRNY-GJZGRUSLSA-N 1 3 318.465 2.409 20 0 DEADHO CC(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049849746 693022297 /nfs/dbraw/zinc/02/22/97/693022297.db2.gz PRROHQJMXDZRNY-GJZGRUSLSA-N 1 3 318.465 2.409 20 0 DEADHO CC(C)CC[NH+]1CCC(NCCc2nnc3ccccn32)CC1 ZINC000924575129 693153088 /nfs/dbraw/zinc/15/30/88/693153088.db2.gz MGCIXWOHQRZELB-UHFFFAOYSA-N 1 3 315.465 2.372 20 0 DEADHO CC(C)CCN1CCC([NH2+]CCc2nnc3ccccn32)CC1 ZINC000924575129 693153091 /nfs/dbraw/zinc/15/30/91/693153091.db2.gz MGCIXWOHQRZELB-UHFFFAOYSA-N 1 3 315.465 2.372 20 0 DEADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(C(C)(C)O)cc1 ZINC000925113515 693228126 /nfs/dbraw/zinc/22/81/26/693228126.db2.gz JLHOECBLUPYTOO-CQSZACIVSA-N 1 3 306.450 2.021 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(C)C)CC2 ZINC001050764728 693246168 /nfs/dbraw/zinc/24/61/68/693246168.db2.gz FVMGTBHYVKAFEW-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](C(C)C)CC2 ZINC001050765789 693246747 /nfs/dbraw/zinc/24/67/47/693246747.db2.gz XAKUQIYWYBQKHL-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO COc1cc(OC)cc([C@H](O)CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925500975 693283956 /nfs/dbraw/zinc/28/39/56/693283956.db2.gz ANGLLWJYVSIBJH-GRDNDAEWSA-N 1 3 322.449 2.233 20 0 DEADHO CN(CCN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)Cc1ccccc1 ZINC000925503503 693284713 /nfs/dbraw/zinc/28/47/13/693284713.db2.gz NIYJWLINRNUYDR-SQNIBIBYSA-N 1 3 301.478 2.485 20 0 DEADHO C[C@H]1[NH2+]CCC[C@H]1NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000925547502 693294352 /nfs/dbraw/zinc/29/43/52/693294352.db2.gz VZTVLMBOQNUYDH-CXAGYDPISA-N 1 3 319.424 2.160 20 0 DEADHO COc1ccc(C2(CN[C@H]3CCC[NH2+][C@@H]3C)CCOCC2)cc1 ZINC000925564539 693298901 /nfs/dbraw/zinc/29/89/01/693298901.db2.gz SENLCZKFLBBIAI-QAPCUYQASA-N 1 3 318.461 2.474 20 0 DEADHO O[C@H](CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)Cc1cccc(F)c1 ZINC000925681148 693323481 /nfs/dbraw/zinc/32/34/81/693323481.db2.gz STAPQZHUUIQVJW-OTWHNJEPSA-N 1 3 320.452 2.487 20 0 DEADHO CC(=O)NCc1ccc(CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925711211 693328046 /nfs/dbraw/zinc/32/80/46/693328046.db2.gz DXNWWMQEHHXMBD-DLBZAZTESA-N 1 3 303.450 2.318 20 0 DEADHO c1ccc2c(c1)CN[C@H](CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)C2 ZINC000925732281 693331663 /nfs/dbraw/zinc/33/16/63/693331663.db2.gz XPAMLSFUBFREKS-SLFFLAALSA-N 1 3 313.489 2.459 20 0 DEADHO C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(-n2cncn2)cc1 ZINC000925779435 693340928 /nfs/dbraw/zinc/34/09/28/693340928.db2.gz NLRQQJUGNBWRGC-GXTWGEPZSA-N 1 3 321.375 2.163 20 0 DEADHO c1cnc2c(c1)CCC[C@H]2N[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000925871891 693357425 /nfs/dbraw/zinc/35/74/25/693357425.db2.gz LDDWNQOWYFFSKQ-YLFCFFPRSA-N 1 3 301.434 2.206 20 0 DEADHO C[C@@H]([NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1)c1cnnn1C ZINC000926353622 693436547 /nfs/dbraw/zinc/43/65/47/693436547.db2.gz KONGFJKEAUTWRF-QAPCUYQASA-N 1 3 313.449 2.378 20 0 DEADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCCN(C/C=C\Cl)CC2)C1 ZINC001052870455 693637755 /nfs/dbraw/zinc/63/77/55/693637755.db2.gz VAIJCEFNGJNGFN-MLVZXCIBSA-N 1 3 313.873 2.051 20 0 DEADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCCN(C/C=C\Cl)CC2)C1 ZINC001052870455 693637758 /nfs/dbraw/zinc/63/77/58/693637758.db2.gz VAIJCEFNGJNGFN-MLVZXCIBSA-N 1 3 313.873 2.051 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[N@H+](CC2CCC2)CC1 ZINC001052899325 693644606 /nfs/dbraw/zinc/64/46/06/693644606.db2.gz QYRGEYOPXIVGSI-OAHLLOKOSA-N 1 3 304.438 2.031 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC001052899325 693644607 /nfs/dbraw/zinc/64/46/07/693644607.db2.gz QYRGEYOPXIVGSI-OAHLLOKOSA-N 1 3 304.438 2.031 20 0 DEADHO CC[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CC)CC1 ZINC001052985983 693662450 /nfs/dbraw/zinc/66/24/50/693662450.db2.gz CMKLIYZWLNDGBF-BHYGNILZSA-N 1 3 307.482 2.192 20 0 DEADHO Cc1cccc(C)c1C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001402643928 1162424108 /nfs/dbraw/zinc/42/41/08/1162424108.db2.gz PVTFACFMYQMHSK-CALCHBBNSA-N 1 3 317.477 2.380 20 0 DEADHO CC(C)CCN1CC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001380007785 1152729575 /nfs/dbraw/zinc/72/95/75/1152729575.db2.gz IWMNWTNKFLNLQW-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001380007785 1152729576 /nfs/dbraw/zinc/72/95/76/1152729576.db2.gz IWMNWTNKFLNLQW-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001380007785 1152729579 /nfs/dbraw/zinc/72/95/79/1152729579.db2.gz IWMNWTNKFLNLQW-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H](C)[N@H+](C)CCc1ccccc1)N(C)C ZINC001381565904 1153129914 /nfs/dbraw/zinc/12/99/14/1153129914.db2.gz AIQMVLKOJOGMAV-SJLPKXTDSA-N 1 3 319.493 2.252 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CCc1ccccc1)N(C)C ZINC001381565904 1153129917 /nfs/dbraw/zinc/12/99/17/1153129917.db2.gz AIQMVLKOJOGMAV-SJLPKXTDSA-N 1 3 319.493 2.252 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CCC1CC1 ZINC001381590426 1153142964 /nfs/dbraw/zinc/14/29/64/1153142964.db2.gz PKRDNLKXSJASED-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CCC1CC1 ZINC001381590426 1153142972 /nfs/dbraw/zinc/14/29/72/1153142972.db2.gz PKRDNLKXSJASED-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO CCC(CC)C[NH+]1CC([C@H](C)NC(=O)CN2CC[C@H](C)C2)C1 ZINC001381825153 1153239881 /nfs/dbraw/zinc/23/98/81/1153239881.db2.gz REGRJWAGWPCNDD-GJZGRUSLSA-N 1 3 309.498 2.201 20 0 DEADHO CN(C)CC(C)(C)C[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC001363341704 1153346679 /nfs/dbraw/zinc/34/66/79/1153346679.db2.gz XJZYHFFLVIMVRG-UHFFFAOYSA-N 1 3 301.434 2.216 20 0 DEADHO C[C@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)[C@H]1CCCOC1 ZINC001363427901 1153396388 /nfs/dbraw/zinc/39/63/88/1153396388.db2.gz LQYSGWWGPJGYBI-VYMRPNJYSA-N 1 3 310.482 2.425 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC001382335275 1153427711 /nfs/dbraw/zinc/42/77/11/1153427711.db2.gz ACRIROWKYGZMAK-QZTJIDSGSA-N 1 3 317.477 2.403 20 0 DEADHO CC[NH+]1CCC(CN(CCNC(C)=O)Cc2ccsc2)CC1 ZINC001363575035 1153467669 /nfs/dbraw/zinc/46/76/69/1153467669.db2.gz IPGWZDCNNXEKBN-UHFFFAOYSA-N 1 3 323.506 2.418 20 0 DEADHO CC[NH+]1CCC(CN2CCN(C(=O)C3CC3)CC2(C)C)CC1 ZINC001363577923 1153469165 /nfs/dbraw/zinc/46/91/65/1153469165.db2.gz NNUBTTXQWQRLHZ-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2ccsc2)C1)N(C)C ZINC001382588717 1153476423 /nfs/dbraw/zinc/47/64/23/1153476423.db2.gz ISQFCYAABOLTLQ-YMAMQOFZSA-N 1 3 309.479 2.167 20 0 DEADHO CSC[C@@H](O)CN1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001363816081 1153646673 /nfs/dbraw/zinc/64/66/73/1153646673.db2.gz RKCIPPCUCPVLGZ-CVEARBPZSA-N 1 3 300.512 2.297 20 0 DEADHO C[C@@H](CNC(=O)CCC[NH+](C)C)NCc1ccc(Cl)s1 ZINC001402985663 1162600335 /nfs/dbraw/zinc/60/03/35/1162600335.db2.gz TZRKBFOIOWXKSP-NSHDSACASA-N 1 3 317.886 2.338 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1cccc(Cl)c1 ZINC001403006617 1162618526 /nfs/dbraw/zinc/61/85/26/1162618526.db2.gz PNNSZJKENHNMAE-UONOGXRCSA-N 1 3 323.868 2.276 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001388704525 1155071629 /nfs/dbraw/zinc/07/16/29/1155071629.db2.gz UGRWOVITTSQJIA-VEBHZGNUSA-N 1 3 313.873 2.098 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)C(C)C)cc1F ZINC001403060236 1162679313 /nfs/dbraw/zinc/67/93/13/1162679313.db2.gz ZXJBPDWRIFDYAN-LSDHHAIUSA-N 1 3 323.456 2.457 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001389526193 1155361685 /nfs/dbraw/zinc/36/16/85/1155361685.db2.gz JEDRKHUVJUUFTH-KRWDZBQOSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2C)C1)N(C)C ZINC001390011627 1155499008 /nfs/dbraw/zinc/49/90/08/1155499008.db2.gz QLKRUCODUGKHRC-IXDOHACOSA-N 1 3 321.440 2.211 20 0 DEADHO CC[C@H](C)C[NH2+]C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001390070173 1155519763 /nfs/dbraw/zinc/51/97/63/1155519763.db2.gz DZORJAOMIIEUDD-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC1)N1CCCC1 ZINC001390127126 1155536848 /nfs/dbraw/zinc/53/68/48/1155536848.db2.gz LBKJAHCQECNAOE-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CCCC[N@H+]1CC1CC1)N1CCCC1 ZINC001390127126 1155536850 /nfs/dbraw/zinc/53/68/50/1155536850.db2.gz LBKJAHCQECNAOE-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)[C@@H](C(=O)NC1CCC([NH2+]CC2CCC2)CC1)N(C)C ZINC001371075029 1155685120 /nfs/dbraw/zinc/68/51/20/1155685120.db2.gz WFKKFMOYKXDXLA-JCYILVPMSA-N 1 3 309.498 2.390 20 0 DEADHO C[C@@H](CNC(=O)CCC[NH+](C)C)NCc1cc2ccccc2o1 ZINC001390467449 1155737937 /nfs/dbraw/zinc/73/79/37/1155737937.db2.gz QPNMATNCYGWAND-AWEZNQCLSA-N 1 3 317.433 2.369 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H](C)NC/C=C/Cl)[NH+]1CCCCC1 ZINC001390538140 1155799345 /nfs/dbraw/zinc/79/93/45/1155799345.db2.gz NAFHESYNHROHKV-PEGRTIRESA-N 1 3 315.889 2.344 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CNC(=O)C(C)(C)N2CCCC2)cc1 ZINC001371308700 1155818879 /nfs/dbraw/zinc/81/88/79/1155818879.db2.gz QALMAHMHANWWHO-INIZCTEOSA-N 1 3 317.477 2.464 20 0 DEADHO C[C@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)NC/C=C\Cl ZINC001371360273 1155833218 /nfs/dbraw/zinc/83/32/18/1155833218.db2.gz CGBYENOZJZBTAK-PXTDYPQFSA-N 1 3 323.868 2.251 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC1CCCCCC1 ZINC001371362585 1155833999 /nfs/dbraw/zinc/83/39/99/1155833999.db2.gz JXUSFUZPHFYEMZ-HOTGVXAUSA-N 1 3 309.498 2.393 20 0 DEADHO Cc1cc(F)ccc1C[NH2+][C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001371366504 1155834847 /nfs/dbraw/zinc/83/48/47/1155834847.db2.gz WGZXALNNTVWIKL-UKRRQHHQSA-N 1 3 321.440 2.070 20 0 DEADHO Cc1ccc(C)c(C[NH2+][C@@H](C)CNC(=O)CN2CC[C@H](C)C2)c1 ZINC001371366037 1155834961 /nfs/dbraw/zinc/83/49/61/1155834961.db2.gz UJSMBYKURXRJSN-RDJZCZTQSA-N 1 3 317.477 2.240 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)NCc1cncs1 ZINC001371386262 1155841039 /nfs/dbraw/zinc/84/10/39/1155841039.db2.gz OGOOTFWESHGCDW-UKRRQHHQSA-N 1 3 324.494 2.000 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)NCc1cncs1 ZINC001371386262 1155841040 /nfs/dbraw/zinc/84/10/40/1155841040.db2.gz OGOOTFWESHGCDW-UKRRQHHQSA-N 1 3 324.494 2.000 20 0 DEADHO Cc1ccccc1C[NH2+][C@H](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001390708435 1155845642 /nfs/dbraw/zinc/84/56/42/1155845642.db2.gz SZPDAQLPWHPSAK-DOTOQJQBSA-N 1 3 317.477 2.321 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](C)CC[C@@H]1CCCC1(F)F)N(C)C ZINC001390779426 1155867451 /nfs/dbraw/zinc/86/74/51/1155867451.db2.gz VRPWZSDVCKZZOX-UONOGXRCSA-N 1 3 319.440 2.200 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](C)CC[C@@H]1CCCC1(F)F)N(C)C ZINC001390779426 1155867452 /nfs/dbraw/zinc/86/74/52/1155867452.db2.gz VRPWZSDVCKZZOX-UONOGXRCSA-N 1 3 319.440 2.200 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](C)Cc1ccc(C2CC2)cc1)N(C)C ZINC001390846142 1155890024 /nfs/dbraw/zinc/89/00/24/1155890024.db2.gz IQSKJUMDYYWHBW-SFHVURJKSA-N 1 3 317.477 2.452 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](C)Cc1ccc(C2CC2)cc1)N(C)C ZINC001390846142 1155890025 /nfs/dbraw/zinc/89/00/25/1155890025.db2.gz IQSKJUMDYYWHBW-SFHVURJKSA-N 1 3 317.477 2.452 20 0 DEADHO CC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C)nc1C)N(C)C ZINC001371768541 1156007149 /nfs/dbraw/zinc/00/71/49/1156007149.db2.gz GBPGBJCKRKXSJC-CXAGYDPISA-N 1 3 320.481 2.023 20 0 DEADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1cc(C)sc1C ZINC001391025872 1156055088 /nfs/dbraw/zinc/05/50/88/1156055088.db2.gz RVWVCYFJOFTVTK-OAHLLOKOSA-N 1 3 323.506 2.255 20 0 DEADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1cc(C)sc1C ZINC001391025872 1156055095 /nfs/dbraw/zinc/05/50/95/1156055095.db2.gz RVWVCYFJOFTVTK-OAHLLOKOSA-N 1 3 323.506 2.255 20 0 DEADHO C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCN1C)c1ccc(F)cc1 ZINC001391220757 1156261459 /nfs/dbraw/zinc/26/14/59/1156261459.db2.gz XLMMTTGEXRKJEA-BBRMVZONSA-N 1 3 307.413 2.029 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]([NH2+]CC1CC1)c1ccccc1)N(C)C ZINC001391243805 1156281670 /nfs/dbraw/zinc/28/16/70/1156281670.db2.gz LIRNJBZGFMAMSG-IAGOWNOFSA-N 1 3 303.450 2.184 20 0 DEADHO CC(C)C[C@@H](C)C[NH+]1CC(CNC(=O)CN(C)C2CCC2)C1 ZINC001391490866 1156460830 /nfs/dbraw/zinc/46/08/30/1156460830.db2.gz LDFBKLFBQYLQQD-OAHLLOKOSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCC2)C1)N1CCCC1 ZINC001391566798 1156543692 /nfs/dbraw/zinc/54/36/92/1156543692.db2.gz APWBXXYIDNWRAY-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCC2)C1)N1CCCC1 ZINC001391566798 1156543711 /nfs/dbraw/zinc/54/37/11/1156543711.db2.gz APWBXXYIDNWRAY-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC001403173944 1162806635 /nfs/dbraw/zinc/80/66/35/1162806635.db2.gz YVFGVNMQEGCJHQ-MAUKXSAKSA-N 1 3 317.477 2.499 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001392099297 1156867094 /nfs/dbraw/zinc/86/70/94/1156867094.db2.gz IWSUTVKBZRGLKQ-YOEHRIQHSA-N 1 3 323.456 2.411 20 0 DEADHO CN(CC[N@H+](C)CC1CCCCCC1)C(=O)[C@@H]1CCCN1C ZINC001392266418 1156948179 /nfs/dbraw/zinc/94/81/79/1156948179.db2.gz SFLOPMAGVCJJOF-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CN(CC[N@@H+](C)CC1CCCCCC1)C(=O)[C@@H]1CCCN1C ZINC001392266418 1156948192 /nfs/dbraw/zinc/94/81/92/1156948192.db2.gz SFLOPMAGVCJJOF-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)C[C@@H](C)C[NH+]1CC(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001373538794 1157086572 /nfs/dbraw/zinc/08/65/72/1157086572.db2.gz NVXXNCNIXDWQSL-JKSUJKDBSA-N 1 3 309.498 2.058 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1C[NH+](CC2CCCC2)C1 ZINC001373558888 1157095346 /nfs/dbraw/zinc/09/53/46/1157095346.db2.gz CFFYTBSKGDAOHV-GJZGRUSLSA-N 1 3 307.482 2.097 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NC[C@H]1CCCCC[N@@H+]1CC ZINC001403283659 1162837638 /nfs/dbraw/zinc/83/76/38/1162837638.db2.gz JLZPTCNBZFFBSN-HUUCEWRRSA-N 1 3 301.450 2.047 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NC[C@H]1CCCCC[N@H+]1CC ZINC001403283659 1162837639 /nfs/dbraw/zinc/83/76/39/1162837639.db2.gz JLZPTCNBZFFBSN-HUUCEWRRSA-N 1 3 301.450 2.047 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001392621450 1157225417 /nfs/dbraw/zinc/22/54/17/1157225417.db2.gz ZHDGMBBFYWDIAE-XJKSGUPXSA-N 1 3 309.429 2.204 20 0 DEADHO CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)NCc1cncs1 ZINC001373751801 1157339064 /nfs/dbraw/zinc/33/90/64/1157339064.db2.gz DZCARFIKNGCLIS-DZGCQCFKSA-N 1 3 324.494 2.000 20 0 DEADHO CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)NCc1cncs1 ZINC001373751801 1157339074 /nfs/dbraw/zinc/33/90/74/1157339074.db2.gz DZCARFIKNGCLIS-DZGCQCFKSA-N 1 3 324.494 2.000 20 0 DEADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccccc1C ZINC001373797923 1157372293 /nfs/dbraw/zinc/37/22/93/1157372293.db2.gz OIANQAXUJRNJAQ-MAUKXSAKSA-N 1 3 317.477 2.321 20 0 DEADHO CC[C@H](CNC(=O)Cc1nc[nH]c1C)[NH2+]CCC1CCCC1 ZINC001373823406 1157389228 /nfs/dbraw/zinc/38/92/28/1157389228.db2.gz WRZAYVZAPGIXQL-OAHLLOKOSA-N 1 3 306.454 2.325 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]CCC(F)(F)F)CC1 ZINC001392895982 1157523601 /nfs/dbraw/zinc/52/36/01/1157523601.db2.gz GFMSJCTWDVFOIK-LBPRGKRZSA-N 1 3 321.387 2.050 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2ccccc2C)CC1 ZINC001392949180 1157560835 /nfs/dbraw/zinc/56/08/35/1157560835.db2.gz JSDATEIDTDMJLP-UHFFFAOYSA-N 1 3 303.450 2.075 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCCC1)C2 ZINC001393370919 1157813395 /nfs/dbraw/zinc/81/33/95/1157813395.db2.gz RXXSOWKHMRWRBK-KSZLIROESA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCCC1)C2 ZINC001393370919 1157813398 /nfs/dbraw/zinc/81/33/98/1157813398.db2.gz RXXSOWKHMRWRBK-KSZLIROESA-N 1 3 321.509 2.486 20 0 DEADHO C[C@H]([NH2+]CCC1CC1)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001393391094 1157818512 /nfs/dbraw/zinc/81/85/12/1157818512.db2.gz POUIAOXHXOVMKR-FUHWJXTLSA-N 1 3 321.509 2.345 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@@H]2C1 ZINC001393411576 1157823495 /nfs/dbraw/zinc/82/34/95/1157823495.db2.gz DHLMFODBNPQHLA-CALCHBBNSA-N 1 3 321.509 2.155 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CC3CC(C)(C)C3)C[C@@H]2C1 ZINC001393411576 1157823496 /nfs/dbraw/zinc/82/34/96/1157823496.db2.gz DHLMFODBNPQHLA-CALCHBBNSA-N 1 3 321.509 2.155 20 0 DEADHO CC[C@H](F)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001393458463 1157833374 /nfs/dbraw/zinc/83/33/74/1157833374.db2.gz HJXXCJJZFOSCOV-HRCADAONSA-N 1 3 313.461 2.142 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCC2CC2)C1 ZINC001374566851 1157908607 /nfs/dbraw/zinc/90/86/07/1157908607.db2.gz PWWZBHSTJKDVCG-SJORKVTESA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCC2CC2)C1 ZINC001374566851 1157908622 /nfs/dbraw/zinc/90/86/22/1157908622.db2.gz PWWZBHSTJKDVCG-SJORKVTESA-N 1 3 307.482 2.050 20 0 DEADHO CN(CC(=O)N1CCC(C)([NH2+]CCC2CC2)CC1)C1CCC1 ZINC001393734394 1157939319 /nfs/dbraw/zinc/93/93/19/1157939319.db2.gz HDSNHKVQBHLYCG-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001393992598 1158141389 /nfs/dbraw/zinc/14/13/89/1158141389.db2.gz HXLZYWWJILITLR-HUUCEWRRSA-N 1 3 309.498 2.391 20 0 DEADHO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CN(C)C(C)C)cc1 ZINC001394004499 1158155003 /nfs/dbraw/zinc/15/50/03/1158155003.db2.gz PZAXMNLFERQEMC-GJZGRUSLSA-N 1 3 321.465 2.018 20 0 DEADHO CCC[N@H+](C)C[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001375107469 1158321892 /nfs/dbraw/zinc/32/18/92/1158321892.db2.gz ZPYUSJJZQHXORA-BBRMVZONSA-N 1 3 301.450 2.045 20 0 DEADHO CCC[N@@H+](C)C[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001375107469 1158321899 /nfs/dbraw/zinc/32/18/99/1158321899.db2.gz ZPYUSJJZQHXORA-BBRMVZONSA-N 1 3 301.450 2.045 20 0 DEADHO C[C@H]1C[C@@H](NCc2ccsc2)CN1C(=O)CCC[NH+](C)C ZINC001394664251 1158659080 /nfs/dbraw/zinc/65/90/80/1158659080.db2.gz BIJVYBOCEFRDSW-DZGCQCFKSA-N 1 3 309.479 2.169 20 0 DEADHO C[C@H](F)CC[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)N1CCCCC1 ZINC001403547425 1162985196 /nfs/dbraw/zinc/98/51/96/1162985196.db2.gz DEIDHOAPLJYRFS-GJZGRUSLSA-N 1 3 315.477 2.436 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCC2CC2)[C@@H]1C)N1CCCC1 ZINC001375672401 1158844552 /nfs/dbraw/zinc/84/45/52/1158844552.db2.gz UFIFQPALVIWNRG-NJAFHUGGSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CCC2CC2)[C@@H]1C)N1CCCC1 ZINC001375672401 1158844555 /nfs/dbraw/zinc/84/45/55/1158844555.db2.gz UFIFQPALVIWNRG-NJAFHUGGSA-N 1 3 321.509 2.486 20 0 DEADHO Cc1cc(CN2CCC(N(C)C(=O)CC[NH+](C)C)CC2)cs1 ZINC001376015741 1159051401 /nfs/dbraw/zinc/05/14/01/1159051401.db2.gz LIFKSXVYBRMSEB-UHFFFAOYSA-N 1 3 323.506 2.431 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@@H]([NH2+]Cc2ccccc2)C2CC2)C1 ZINC001376252221 1159293475 /nfs/dbraw/zinc/29/34/75/1159293475.db2.gz LILXGOKPZXFGDW-CRAIPNDOSA-N 1 3 315.461 2.013 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccccc1)C1CC1)N(C)C ZINC001376255670 1159296001 /nfs/dbraw/zinc/29/60/01/1159296001.db2.gz OSGQRLZIFSJWQD-IRXDYDNUSA-N 1 3 303.450 2.011 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1)C1CC1)N(C)C ZINC001376255674 1159296494 /nfs/dbraw/zinc/29/64/94/1159296494.db2.gz OSGQRLZIFSJWQD-SJORKVTESA-N 1 3 303.450 2.011 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001376396742 1159379578 /nfs/dbraw/zinc/37/95/78/1159379578.db2.gz BPBLICANTYRTTR-HAQNSBGRSA-N 1 3 322.280 2.274 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001376396742 1159379590 /nfs/dbraw/zinc/37/95/90/1159379590.db2.gz BPBLICANTYRTTR-HAQNSBGRSA-N 1 3 322.280 2.274 20 0 DEADHO CC1CC(C[N@@H+]2CCC[C@@H](CNC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001376509552 1159489737 /nfs/dbraw/zinc/48/97/37/1159489737.db2.gz LSSNVBHBYAKITP-CGZBRXJRSA-N 1 3 321.509 2.345 20 0 DEADHO CC1CC(C[N@H+]2CCC[C@@H](CNC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001376509552 1159489743 /nfs/dbraw/zinc/48/97/43/1159489743.db2.gz LSSNVBHBYAKITP-CGZBRXJRSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001376632332 1159621197 /nfs/dbraw/zinc/62/11/97/1159621197.db2.gz UTQRSRUYRYJLEZ-JKSUJKDBSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001376632332 1159621203 /nfs/dbraw/zinc/62/12/03/1159621203.db2.gz UTQRSRUYRYJLEZ-JKSUJKDBSA-N 1 3 309.498 2.486 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]C/C=C/Cl ZINC001403624080 1163057755 /nfs/dbraw/zinc/05/77/55/1163057755.db2.gz NVJXYZGTKLMFHW-BIYBCCJYSA-N 1 3 301.862 2.050 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N[C@H](C)c1ccccc1F ZINC001376836414 1159818826 /nfs/dbraw/zinc/81/88/26/1159818826.db2.gz DFJMLOQBFHTJDG-UONOGXRCSA-N 1 3 309.429 2.323 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N[C@H](C)c1ccccc1F ZINC001376836414 1159818827 /nfs/dbraw/zinc/81/88/27/1159818827.db2.gz DFJMLOQBFHTJDG-UONOGXRCSA-N 1 3 309.429 2.323 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH2+]CCc1cccs1 ZINC001377097732 1159898372 /nfs/dbraw/zinc/89/83/72/1159898372.db2.gz OHAGVBHSLBZTED-LBPRGKRZSA-N 1 3 320.462 2.049 20 0 DEADHO CC[N@H+](C)CCC(=O)NCc1ccc2c(c1)CN(C(C)C)C2 ZINC001377210332 1160037092 /nfs/dbraw/zinc/03/70/92/1160037092.db2.gz BLZCZXPMQSAYJR-UHFFFAOYSA-N 1 3 303.450 2.369 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCc1ccc2c(c1)CN(C(C)C)C2 ZINC001377210332 1160037102 /nfs/dbraw/zinc/03/71/02/1160037102.db2.gz BLZCZXPMQSAYJR-UHFFFAOYSA-N 1 3 303.450 2.369 20 0 DEADHO CC[C@@H](C)C[N@H+](C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001403686134 1163089396 /nfs/dbraw/zinc/08/93/96/1163089396.db2.gz MPQQJNUTNYZEDD-PBHICJAKSA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@@H](C)C[N@@H+](C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001403686134 1163089405 /nfs/dbraw/zinc/08/94/05/1163089405.db2.gz MPQQJNUTNYZEDD-PBHICJAKSA-N 1 3 315.477 2.293 20 0 DEADHO CN(C)C1(C(=O)N2CCC(C)([NH2+]C/C=C/Cl)CC2)CCC1 ZINC001377287558 1160127612 /nfs/dbraw/zinc/12/76/12/1160127612.db2.gz UGZVJHIEFYBZQY-BJMVGYQFSA-N 1 3 313.873 2.194 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](CC)C[C@H]1CCC(F)(F)C1)N(C)C ZINC001377316892 1160206700 /nfs/dbraw/zinc/20/67/00/1160206700.db2.gz RQBAXXQTSDVRDR-UONOGXRCSA-N 1 3 319.440 2.200 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](CC)C[C@H]1CCC(F)(F)C1)N(C)C ZINC001377316892 1160206725 /nfs/dbraw/zinc/20/67/25/1160206725.db2.gz RQBAXXQTSDVRDR-UONOGXRCSA-N 1 3 319.440 2.200 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2CC[N@H+](CC3CCC3)CC2(C)C)CCC1 ZINC001377318305 1160208484 /nfs/dbraw/zinc/20/84/84/1160208484.db2.gz GIXSHFIPJIGIMU-INIZCTEOSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2CC[N@@H+](CC3CCC3)CC2(C)C)CCC1 ZINC001377318305 1160208499 /nfs/dbraw/zinc/20/84/99/1160208499.db2.gz GIXSHFIPJIGIMU-INIZCTEOSA-N 1 3 321.509 2.488 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(CCC(F)(F)F)[C@H](C)C1 ZINC001377375519 1160301245 /nfs/dbraw/zinc/30/12/45/1160301245.db2.gz AZRVEYZIKAVVIZ-CHWSQXEVSA-N 1 3 323.403 2.250 20 0 DEADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+]CC=C(Cl)Cl)N(C)C ZINC001377449995 1160379179 /nfs/dbraw/zinc/37/91/79/1160379179.db2.gz NGIGPVLQEBHXSC-WDEREUQCSA-N 1 3 310.269 2.130 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001397619416 1160366400 /nfs/dbraw/zinc/36/64/00/1160366400.db2.gz XFSWLUXKQGFRHF-CALCHBBNSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001397628100 1160371512 /nfs/dbraw/zinc/37/15/12/1160371512.db2.gz JAEDMULTBLILCS-XWTMOSNGSA-N 1 3 323.525 2.495 20 0 DEADHO CC(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001397703012 1160409336 /nfs/dbraw/zinc/40/93/36/1160409336.db2.gz OTAFHXNIQLGRDI-JKSUJKDBSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@H+](C)CC2CC(C)C2)C1 ZINC001377781506 1160820938 /nfs/dbraw/zinc/82/09/38/1160820938.db2.gz IRYGGGDRDBGGAQ-CGZBRXJRSA-N 1 3 309.498 2.153 20 0 DEADHO CC[C@@H](c1ccc(F)cc1)N1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001398343630 1160860682 /nfs/dbraw/zinc/86/06/82/1160860682.db2.gz XDDOSUCISAMHGI-IRXDYDNUSA-N 1 3 321.440 2.419 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cc(F)ccc1C ZINC001377888831 1160862507 /nfs/dbraw/zinc/86/25/07/1160862507.db2.gz YZBXFTKBJMUIRU-CABCVRRESA-N 1 3 323.456 2.459 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CC3CCCCC3)C2)CCC1 ZINC001398533944 1160953410 /nfs/dbraw/zinc/95/34/10/1160953410.db2.gz FVGDJOWNSRFYSM-WKILWMFISA-N 1 3 307.482 2.288 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2F)C1)N(C)C ZINC001398533451 1160953479 /nfs/dbraw/zinc/95/34/79/1160953479.db2.gz HLNGMZIONPMXAD-AYMQEEERSA-N 1 3 321.440 2.464 20 0 DEADHO C[C@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001398668280 1161044259 /nfs/dbraw/zinc/04/42/59/1161044259.db2.gz QAVQUDTZGHVOIA-RRQGHBQHSA-N 1 3 321.440 2.347 20 0 DEADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1cccc(F)c1 ZINC001399027621 1161195715 /nfs/dbraw/zinc/19/57/15/1161195715.db2.gz NSZRNAHYRFYDMY-CQSZACIVSA-N 1 3 323.456 2.398 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001399032586 1161197826 /nfs/dbraw/zinc/19/78/26/1161197826.db2.gz JGCLJNUSVMWHDA-WMLDXEAASA-N 1 3 323.456 2.337 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CNC(=O)CN(C)C(C)C)cc1C ZINC001399161342 1161263983 /nfs/dbraw/zinc/26/39/83/1161263983.db2.gz MPRYWNBZGAEOFD-MRXNPFEDSA-N 1 3 305.466 2.238 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[N@@H+](C)CC1CCC(C)CC1 ZINC001399651616 1161503244 /nfs/dbraw/zinc/50/32/44/1161503244.db2.gz XWLGMDUMPXHCJU-UHFFFAOYSA-N 1 3 306.454 2.135 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[N@H+](C)CC1CCC(C)CC1 ZINC001399651616 1161503248 /nfs/dbraw/zinc/50/32/48/1161503248.db2.gz XWLGMDUMPXHCJU-UHFFFAOYSA-N 1 3 306.454 2.135 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccsc2)C1)N(C)C ZINC001399921120 1161608087 /nfs/dbraw/zinc/60/80/87/1161608087.db2.gz XZRVGWOPCBSIPA-HOCLYGCPSA-N 1 3 323.506 2.272 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccsc2)C1)N(C)C ZINC001399921120 1161608090 /nfs/dbraw/zinc/60/80/90/1161608090.db2.gz XZRVGWOPCBSIPA-HOCLYGCPSA-N 1 3 323.506 2.272 20 0 DEADHO C[NH+](C)CCCC(=O)NC[C@H]1CCN(Cc2ccccc2F)C1 ZINC001399932008 1161610897 /nfs/dbraw/zinc/61/08/97/1161610897.db2.gz QDNBWVSUHGFDAA-OAHLLOKOSA-N 1 3 321.440 2.106 20 0 DEADHO CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2CC1CC1)[NH+](CC)CC ZINC001400105899 1161654470 /nfs/dbraw/zinc/65/44/70/1161654470.db2.gz SCLYWAYUZNJESO-IXDOHACOSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)C[NH2+]Cc1ccc(CNC(=O)CN(C)C(C)C)cc1 ZINC001401069746 1161867046 /nfs/dbraw/zinc/86/70/46/1161867046.db2.gz UNBZBMPZHNXJOP-UHFFFAOYSA-N 1 3 305.466 2.389 20 0 DEADHO C[C@H](CNCc1ccccc1F)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001401236032 1161900863 /nfs/dbraw/zinc/90/08/63/1161900863.db2.gz GBWMXFAYTMJJHZ-CQSZACIVSA-N 1 3 321.440 2.104 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC2CCC2)C1 ZINC001401281839 1161914487 /nfs/dbraw/zinc/91/44/87/1161914487.db2.gz AYIMIHHGRPHWJL-RDJZCZTQSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCC2CC2)C1 ZINC001401292080 1161917631 /nfs/dbraw/zinc/91/76/31/1161917631.db2.gz HTFCPTJNHOWLGN-NVXWUHKLSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)N(C)CC[N@H+](C)Cc1cccc(C)c1)N(C)C ZINC001401436311 1161993634 /nfs/dbraw/zinc/99/36/34/1161993634.db2.gz VHAKUVMVCVPVJH-QGZVFWFLSA-N 1 3 305.466 2.225 20 0 DEADHO CC[C@H](C(=O)N(C)CC[N@@H+](C)Cc1cccc(C)c1)N(C)C ZINC001401436311 1161993637 /nfs/dbraw/zinc/99/36/37/1161993637.db2.gz VHAKUVMVCVPVJH-QGZVFWFLSA-N 1 3 305.466 2.225 20 0 DEADHO CN(CC[N@H+](C)CC1CCC2(CC2)CC1)C(=O)CN1CCCC1 ZINC001401438495 1161994678 /nfs/dbraw/zinc/99/46/78/1161994678.db2.gz NNNLVXBINWRPHM-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CN(CC[N@@H+](C)CC1CCC2(CC2)CC1)C(=O)CN1CCCC1 ZINC001401438495 1161994682 /nfs/dbraw/zinc/99/46/82/1161994682.db2.gz NNNLVXBINWRPHM-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1C[C@H](NC/C=C/Cl)C(C)(C)C1 ZINC001403829010 1163237053 /nfs/dbraw/zinc/23/70/53/1163237053.db2.gz QCALQQRDLJOAMP-OWNNVSBGSA-N 1 3 315.889 2.297 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](NC/C=C/Cl)C(C)(C)C1 ZINC001403829010 1163237059 /nfs/dbraw/zinc/23/70/59/1163237059.db2.gz QCALQQRDLJOAMP-OWNNVSBGSA-N 1 3 315.889 2.297 20 0 DEADHO C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001403978028 1163346631 /nfs/dbraw/zinc/34/66/31/1163346631.db2.gz UTCPMASSIFJYJC-OAHLLOKOSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@@H]1CCc2ccccc21 ZINC001404444412 1163645068 /nfs/dbraw/zinc/64/50/68/1163645068.db2.gz ITSRJWZIEPIKJA-QGZVFWFLSA-N 1 3 303.450 2.064 20 0 DEADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1cc(C)ccc1F ZINC001405373434 1164068207 /nfs/dbraw/zinc/06/82/07/1164068207.db2.gz PQJVYFPFFWYXOJ-MRXNPFEDSA-N 1 3 323.456 2.459 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@](C)(C[NH2+]CC1CC(C)C1)C1CC1 ZINC001405495424 1164120012 /nfs/dbraw/zinc/12/00/12/1164120012.db2.gz ULEKSNRRRIXJHI-JMLCCBQJSA-N 1 3 309.498 2.247 20 0 DEADHO Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)CN2CCCC2)c(C)s1 ZINC001405885121 1164311084 /nfs/dbraw/zinc/31/10/84/1164311084.db2.gz INWLTKPBWLOMER-CYBMUJFWSA-N 1 3 323.506 2.397 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCC2CC2)C1 ZINC001406170986 1164490624 /nfs/dbraw/zinc/49/06/24/1164490624.db2.gz BMNPJRFLAXNINE-DLBZAZTESA-N 1 3 307.482 2.051 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCC2CC2)C1 ZINC001406170986 1164490621 /nfs/dbraw/zinc/49/06/21/1164490621.db2.gz BMNPJRFLAXNINE-DLBZAZTESA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@H](C(=O)N[C@H](C[NH2+]Cc1ccccc1F)C1CC1)N(C)C ZINC001406775313 1164825039 /nfs/dbraw/zinc/82/50/39/1164825039.db2.gz BXVNRTUIZSFOLU-IAGOWNOFSA-N 1 3 321.440 2.150 20 0 DEADHO CN(C)C1(C(=O)NCC2([NH2+]CCC3CCCC3)CC2)CCC1 ZINC001406951418 1164891517 /nfs/dbraw/zinc/89/15/17/1164891517.db2.gz WMVXGMNKODHTFK-UHFFFAOYSA-N 1 3 307.482 2.289 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001406995961 1164912876 /nfs/dbraw/zinc/91/28/76/1164912876.db2.gz HLVIEDWUCNCVDJ-AWEZNQCLSA-N 1 3 321.440 2.467 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCN1C(C)C ZINC001407750811 1165285259 /nfs/dbraw/zinc/28/52/59/1165285259.db2.gz LNELODCKPJRTJL-IAGOWNOFSA-N 1 3 309.498 2.486 20 0 DEADHO Cc1cccc(C)c1CN1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001417755906 1167190112 /nfs/dbraw/zinc/19/01/12/1167190112.db2.gz QGINYLQCYLETQA-QGZVFWFLSA-N 1 3 317.477 2.288 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CCc2cccs2)C1 ZINC001418666121 1167872706 /nfs/dbraw/zinc/87/27/06/1167872706.db2.gz LSEHKFUFRZPSSG-GASCZTMLSA-N 1 3 323.506 2.115 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001419467053 1168513179 /nfs/dbraw/zinc/51/31/79/1168513179.db2.gz AFBRBTKJOXPYFJ-CALCHBBNSA-N 1 3 315.461 2.216 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCC[C@@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001419538236 1168583815 /nfs/dbraw/zinc/58/38/15/1168583815.db2.gz CGOJCXUMKRVCRA-ZFWWWQNUSA-N 1 3 306.454 2.135 20 0 DEADHO CC[C@H](C)C[N@H+]1CCC[C@@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001419538236 1168583819 /nfs/dbraw/zinc/58/38/19/1168583819.db2.gz CGOJCXUMKRVCRA-ZFWWWQNUSA-N 1 3 306.454 2.135 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCN2C)c(C)c1 ZINC001419652787 1168757416 /nfs/dbraw/zinc/75/74/16/1168757416.db2.gz PTZVUDOPOVYIDW-AEFFLSMTSA-N 1 3 317.477 2.334 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cc2c[nH]cn2)c1 ZINC001419726895 1168822631 /nfs/dbraw/zinc/82/26/31/1168822631.db2.gz RMLDVXHNNMCLRR-LSDHHAIUSA-N 1 3 314.433 2.458 20 0 DEADHO Cc1cccc(C[N@@H+](C)CCNC(=O)CN(C)C2CCC2)c1 ZINC001420246102 1169276100 /nfs/dbraw/zinc/27/61/00/1169276100.db2.gz ZKWZJZXYFWVGCI-UHFFFAOYSA-N 1 3 303.450 2.027 20 0 DEADHO Cc1cccc(C[N@H+](C)CCNC(=O)CN(C)C2CCC2)c1 ZINC001420246102 1169276106 /nfs/dbraw/zinc/27/61/06/1169276106.db2.gz ZKWZJZXYFWVGCI-UHFFFAOYSA-N 1 3 303.450 2.027 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccccc1)N(C)C ZINC001420338477 1169373577 /nfs/dbraw/zinc/37/35/77/1169373577.db2.gz IPFAVPMEBDEKRE-HLLBOEOZSA-N 1 3 305.466 2.428 20 0 DEADHO Cc1ccc(F)cc1CN(C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001420656169 1169855326 /nfs/dbraw/zinc/85/53/26/1169855326.db2.gz DGKICMWCCPXMOX-HUUCEWRRSA-N 1 3 321.440 2.022 20 0 DEADHO Cc1ccc(F)cc1CN(C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001420656169 1169855320 /nfs/dbraw/zinc/85/53/20/1169855320.db2.gz DGKICMWCCPXMOX-HUUCEWRRSA-N 1 3 321.440 2.022 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[N@H+](CCC(C)(C)C)C2CC2)C1 ZINC001420680617 1169865942 /nfs/dbraw/zinc/86/59/42/1169865942.db2.gz JARJGZFGZUORJH-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[N@@H+](CCC(C)(C)C)C2CC2)C1 ZINC001420680617 1169865946 /nfs/dbraw/zinc/86/59/46/1169865946.db2.gz JARJGZFGZUORJH-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO CCCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCCN2CC)C1 ZINC001420882644 1171317658 /nfs/dbraw/zinc/31/76/58/1171317658.db2.gz AVUSUCMRRUICGN-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO CCCC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCCCN2CC)C1 ZINC001420882644 1171317665 /nfs/dbraw/zinc/31/76/65/1171317665.db2.gz AVUSUCMRRUICGN-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CCC2CC2)C1 ZINC001420942832 1171368756 /nfs/dbraw/zinc/36/87/56/1171368756.db2.gz BCNOKDXBPFAPOO-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCC2CC2)C1 ZINC001420942832 1171368762 /nfs/dbraw/zinc/36/87/62/1171368762.db2.gz BCNOKDXBPFAPOO-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC001421007151 1171424645 /nfs/dbraw/zinc/42/46/45/1171424645.db2.gz VRQIDVIZWQCWBG-ZDUSSCGKSA-N 1 3 317.424 2.000 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1(C)CC[NH+](CC2CCC2)CC1 ZINC001421224404 1171607877 /nfs/dbraw/zinc/60/78/77/1171607877.db2.gz QIFYCUJHIRKRCX-UHFFFAOYSA-N 1 3 304.438 2.031 20 0 DEADHO CN(CC(=O)N1CC[C@](C)(C[NH2+]CC2CCCC2)C1)C1CCC1 ZINC001421237179 1171623534 /nfs/dbraw/zinc/62/35/34/1171623534.db2.gz DZPUTCDFUHMEMC-LJQANCHMSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]C/C=C\Cl)CCC1 ZINC001421748794 1171960355 /nfs/dbraw/zinc/96/03/55/1171960355.db2.gz TWFXOZPYTMRGPB-UQYHUFHVSA-N 1 3 313.873 2.242 20 0 DEADHO Cc1ccccc1CN(C)CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001422174656 1172372155 /nfs/dbraw/zinc/37/21/55/1172372155.db2.gz OAFOQBVCBXBQOM-SFHVURJKSA-N 1 3 319.493 2.471 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[N@H+](C)CC1CCCCC1 ZINC001422567410 1172716820 /nfs/dbraw/zinc/71/68/20/1172716820.db2.gz VQBBNNVLLDJRQL-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[N@@H+](C)CC1CCCCC1 ZINC001422567410 1172716824 /nfs/dbraw/zinc/71/68/24/1172716824.db2.gz VQBBNNVLLDJRQL-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](NC(=O)CC[NH+](C)C)C1CCN(Cc2ccsc2)CC1 ZINC001423658034 1173471483 /nfs/dbraw/zinc/47/14/83/1173471483.db2.gz UADVGASFGARWKQ-AWEZNQCLSA-N 1 3 323.506 2.417 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](C(C)C)CCC1(F)F)N(C)C ZINC001423721749 1173511318 /nfs/dbraw/zinc/51/13/18/1173511318.db2.gz AAGMGBLUIGBVHV-KGLIPLIRSA-N 1 3 319.440 2.054 20 0 DEADHO C[C@@H]([NH2+]Cc1ccc(F)cc1)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001424788261 1173930362 /nfs/dbraw/zinc/93/03/62/1173930362.db2.gz FJFDRCQEEHRDID-KGLIPLIRSA-N 1 3 321.440 2.293 20 0 DEADHO C[C@H](C(=O)NC[C@H](C)[N@H+](C)CC1CCC1)N1CCCCCC1 ZINC001425022857 1174120600 /nfs/dbraw/zinc/12/06/00/1174120600.db2.gz GFFRHYSSBVNTSS-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](C(=O)NC[C@H](C)[N@@H+](C)CC1CCC1)N1CCCCCC1 ZINC001425022857 1174120605 /nfs/dbraw/zinc/12/06/05/1174120605.db2.gz GFFRHYSSBVNTSS-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1[C@H](NCCF)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001425874142 1174492115 /nfs/dbraw/zinc/49/21/15/1174492115.db2.gz HIEKAWNCPJGGAF-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)CN1[C@H](C)CC[C@@H]1C ZINC001434223212 1178335633 /nfs/dbraw/zinc/33/56/33/1178335633.db2.gz UTGHNMIJFQQHCO-WCXIOVBPSA-N 1 3 309.498 2.438 20 0 DEADHO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)c(C)c1OC ZINC001434519082 1178746333 /nfs/dbraw/zinc/74/63/33/1178746333.db2.gz XHOHIFYKDQKFOK-OWCLPIDISA-N 1 3 304.434 2.442 20 0 DEADHO CCC(CC)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001436398099 1179079747 /nfs/dbraw/zinc/07/97/47/1179079747.db2.gz KKMPCTRUXACSRG-SHTZXODSSA-N 1 3 306.454 2.181 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2F)C1)N(C)C ZINC001436974876 1179325092 /nfs/dbraw/zinc/32/50/92/1179325092.db2.gz HLNGMZIONPMXAD-WVZRYYJFSA-N 1 3 321.440 2.464 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CCC[N@H+](CCC2CC2)C1)N1CCCC1 ZINC001436992038 1179337473 /nfs/dbraw/zinc/33/74/73/1179337473.db2.gz BPJXNWHLIOXYBL-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CCC[N@@H+](CCC2CC2)C1)N1CCCC1 ZINC001436992038 1179337480 /nfs/dbraw/zinc/33/74/80/1179337480.db2.gz BPJXNWHLIOXYBL-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H](c1ccc(F)cc1)N(C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001437540731 1179840343 /nfs/dbraw/zinc/84/03/43/1179840343.db2.gz FZDSIXVQJZUQPP-CQSZACIVSA-N 1 3 319.424 2.031 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC001437721773 1179900482 /nfs/dbraw/zinc/90/04/82/1179900482.db2.gz KXJHXOWTXUTHCS-AWEZNQCLSA-N 1 3 323.868 2.230 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001437733820 1179920368 /nfs/dbraw/zinc/92/03/68/1179920368.db2.gz AKNXTKDRRDOBNS-INIZCTEOSA-N 1 3 318.465 2.279 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001437733820 1179920380 /nfs/dbraw/zinc/92/03/80/1179920380.db2.gz AKNXTKDRRDOBNS-INIZCTEOSA-N 1 3 318.465 2.279 20 0 DEADHO CN(CC[NH2+][C@H]1CCCc2ccccc21)C(=O)[C@H]1CCCN1C ZINC001437828103 1180018347 /nfs/dbraw/zinc/01/83/47/1180018347.db2.gz LKNABGMNGHHYQK-ZWKOTPCHSA-N 1 3 315.461 2.206 20 0 DEADHO C[C@@H](F)CC[N@@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001437919668 1180079206 /nfs/dbraw/zinc/07/92/06/1180079206.db2.gz CKRPPMWLXYUXDF-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H](F)CC[N@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001437919668 1180079215 /nfs/dbraw/zinc/07/92/15/1180079215.db2.gz CKRPPMWLXYUXDF-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H](C(=O)NCC[C@@H]1CCN(CCF)C1)[NH+]1CCCCCC1 ZINC001437942929 1180095099 /nfs/dbraw/zinc/09/50/99/1180095099.db2.gz XUVAJYVPOGRQCW-HZPDHXFCSA-N 1 3 313.461 2.049 20 0 DEADHO CC(C)CC[N@H+](C)C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001437975352 1180121064 /nfs/dbraw/zinc/12/10/64/1180121064.db2.gz JUXSFXGGEBWVBG-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001437975352 1180121073 /nfs/dbraw/zinc/12/10/73/1180121073.db2.gz JUXSFXGGEBWVBG-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CCC[NH+]1CCC(CCNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001438451748 1180446670 /nfs/dbraw/zinc/44/66/70/1180446670.db2.gz HMYYOCXPRSQKPN-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)[C@@H](CNC(=O)[C@H]1CCCN1C(C)C)[NH2+]CCC1CC1 ZINC001438802987 1180816847 /nfs/dbraw/zinc/81/68/47/1180816847.db2.gz KHVNGNJACPDXHV-IAGOWNOFSA-N 1 3 309.498 2.390 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCCc2ccccc21)N(C)C ZINC001439223029 1180948789 /nfs/dbraw/zinc/94/87/89/1180948789.db2.gz COQQDGSGWJENID-JCGIZDLHSA-N 1 3 317.477 2.499 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccccc1C)C1CC1)N(C)C ZINC001439480173 1181106801 /nfs/dbraw/zinc/10/68/01/1181106801.db2.gz NZBKADXUPUFZNC-ROUUACIJSA-N 1 3 317.477 2.320 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]C/C=C/Cl)CCC1 ZINC001440356350 1181462981 /nfs/dbraw/zinc/46/29/81/1181462981.db2.gz PLKUXNRICPJDQE-KWWXWCDNSA-N 1 3 313.873 2.240 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)[C@@H]1C)N1CCCC1 ZINC001440507194 1181570798 /nfs/dbraw/zinc/57/07/98/1181570798.db2.gz FLUMIRIYIHVOAS-PVAVHDDUSA-N 1 3 307.482 2.096 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CC2)[C@@H]1C)N1CCCC1 ZINC001440507194 1181570803 /nfs/dbraw/zinc/57/08/03/1181570803.db2.gz FLUMIRIYIHVOAS-PVAVHDDUSA-N 1 3 307.482 2.096 20 0 DEADHO C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1NCCF ZINC001440586862 1181602643 /nfs/dbraw/zinc/60/26/43/1181602643.db2.gz GAJAAZMFQZQOSD-ZBFHGGJFSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1NCCF ZINC001440586862 1181602646 /nfs/dbraw/zinc/60/26/46/1181602646.db2.gz GAJAAZMFQZQOSD-ZBFHGGJFSA-N 1 3 313.461 2.047 20 0 DEADHO CCC(CC)C[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001440732986 1181663497 /nfs/dbraw/zinc/66/34/97/1181663497.db2.gz MDKSFMKEJJEFPM-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CCC(CC)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001440732986 1181663507 /nfs/dbraw/zinc/66/35/07/1181663507.db2.gz MDKSFMKEJJEFPM-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]CCc1cccs1 ZINC001440801635 1181700480 /nfs/dbraw/zinc/70/04/80/1181700480.db2.gz TZIQFGHYGIMQDM-UONOGXRCSA-N 1 3 323.506 2.258 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC1CCCCC1 ZINC001440841697 1181720786 /nfs/dbraw/zinc/72/07/86/1181720786.db2.gz KFPGSTGEDAKVTC-STQMWFEESA-N 1 3 306.454 2.324 20 0 DEADHO CC(C)CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001441324669 1181944491 /nfs/dbraw/zinc/94/44/91/1181944491.db2.gz AZTHVBLUMAJHEJ-CALCHBBNSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([N@H+](C)C/C=C/Cl)CC1 ZINC001441393109 1181973330 /nfs/dbraw/zinc/97/33/30/1181973330.db2.gz BZZSMDCTCYUHBT-VMPITWQZSA-N 1 3 301.862 2.002 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([N@@H+](C)C/C=C/Cl)CC1 ZINC001441393109 1181973335 /nfs/dbraw/zinc/97/33/35/1181973335.db2.gz BZZSMDCTCYUHBT-VMPITWQZSA-N 1 3 301.862 2.002 20 0 DEADHO CC[C@@H](C(=O)N1CCC([N@H+](C)C/C=C/Cl)CC1)N(C)C ZINC001441394102 1181973862 /nfs/dbraw/zinc/97/38/62/1181973862.db2.gz MWFNNIFLFCVWBN-MRZGDXHCSA-N 1 3 301.862 2.002 20 0 DEADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)C/C=C/Cl)CC1)N(C)C ZINC001441394102 1181973867 /nfs/dbraw/zinc/97/38/67/1181973867.db2.gz MWFNNIFLFCVWBN-MRZGDXHCSA-N 1 3 301.862 2.002 20 0 DEADHO Cc1ccc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)CN(C)C(C)C)C2)c1 ZINC001441436537 1181994890 /nfs/dbraw/zinc/99/48/90/1181994890.db2.gz FXCCRYTYOUCXRS-IYARVYRRSA-N 1 3 317.477 2.380 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]CC1CCC1)C1CC1 ZINC001441436733 1181994921 /nfs/dbraw/zinc/99/49/21/1181994921.db2.gz VJLABEYFWZYURN-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CN(C)C(C)C)cc1F ZINC001441658481 1182117398 /nfs/dbraw/zinc/11/73/98/1182117398.db2.gz NRXVQTLVQFAFGN-HNNXBMFYSA-N 1 3 323.456 2.411 20 0 DEADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)[C@H]2C)cc1 ZINC001441819827 1182176047 /nfs/dbraw/zinc/17/60/47/1182176047.db2.gz NGNFDAGFYWYUSV-FUHWJXTLSA-N 1 3 317.477 2.414 20 0 DEADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H](C)c1cccc(F)c1 ZINC001441848485 1182213368 /nfs/dbraw/zinc/21/33/68/1182213368.db2.gz YVIOLOCWBHRTJS-ZIAGYGMSSA-N 1 3 321.440 2.465 20 0 DEADHO CC(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001442216841 1182372979 /nfs/dbraw/zinc/37/29/79/1182372979.db2.gz PWBVIYUKRGEPAW-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001442216841 1182372982 /nfs/dbraw/zinc/37/29/82/1182372982.db2.gz PWBVIYUKRGEPAW-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H](C(=O)NC[C@H]1CC[N@H+](CCC2CC2)C1)N1CCCCCC1 ZINC001442874259 1182758702 /nfs/dbraw/zinc/75/87/02/1182758702.db2.gz ARGCPRWDZYRUPT-SJLPKXTDSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H](C(=O)NC[C@H]1CC[N@@H+](CCC2CC2)C1)N1CCCCCC1 ZINC001442874259 1182758715 /nfs/dbraw/zinc/75/87/15/1182758715.db2.gz ARGCPRWDZYRUPT-SJLPKXTDSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001442902389 1182782027 /nfs/dbraw/zinc/78/20/27/1182782027.db2.gz IGYYNHRJVGIKPP-QGZVFWFLSA-N 1 3 309.498 2.347 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001442902389 1182782037 /nfs/dbraw/zinc/78/20/37/1182782037.db2.gz IGYYNHRJVGIKPP-QGZVFWFLSA-N 1 3 309.498 2.347 20 0 DEADHO C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCN1C)c1cccc(F)c1 ZINC001443093894 1182846211 /nfs/dbraw/zinc/84/62/11/1182846211.db2.gz BQDJDNIUQOMJOU-CJNGLKHVSA-N 1 3 307.413 2.029 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+]CC[C@@H](C)F)CC1 ZINC001444186881 1183310667 /nfs/dbraw/zinc/31/06/67/1183310667.db2.gz BDTYNVICDFGNHM-RBSFLKMASA-N 1 3 301.450 2.092 20 0 DEADHO C[C@H](CN(C)Cc1ccc(F)cc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001445760289 1184035696 /nfs/dbraw/zinc/03/56/96/1184035696.db2.gz WBQOGCBQPJFYFC-CKEIUWERSA-N 1 3 321.440 2.102 20 0 DEADHO C[C@H](CN(C)Cc1ccc(F)cc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001445760289 1184035700 /nfs/dbraw/zinc/03/57/00/1184035700.db2.gz WBQOGCBQPJFYFC-CKEIUWERSA-N 1 3 321.440 2.102 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CC1)C1CC1 ZINC001445974831 1184158080 /nfs/dbraw/zinc/15/80/80/1184158080.db2.gz ARUKPMFUFPKRKL-SJORKVTESA-N 1 3 307.482 2.144 20 0 DEADHO CC(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCCCN1C(C)C)C1CC1 ZINC001445978280 1184159802 /nfs/dbraw/zinc/15/98/02/1184159802.db2.gz JFEPRIYDSZEUGF-IAGOWNOFSA-N 1 3 309.498 2.390 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CC[N@@H+]1CC1CC(C)(C)C1)N1CCCC1 ZINC001446081085 1184217539 /nfs/dbraw/zinc/21/75/39/1184217539.db2.gz ZDDYHUSBAHFHHU-MRXNPFEDSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CC[N@H+]1CC1CC(C)(C)C1)N1CCCC1 ZINC001446081085 1184217544 /nfs/dbraw/zinc/21/75/44/1184217544.db2.gz ZDDYHUSBAHFHHU-MRXNPFEDSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CCN1CC1CC(C)(C)C1)[NH+]1CCCC1 ZINC001446081085 1184217549 /nfs/dbraw/zinc/21/75/49/1184217549.db2.gz ZDDYHUSBAHFHHU-MRXNPFEDSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001446296291 1184299036 /nfs/dbraw/zinc/29/90/36/1184299036.db2.gz PBYFCWPDSUDSBF-SFHVURJKSA-N 1 3 321.509 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001446296291 1184299044 /nfs/dbraw/zinc/29/90/44/1184299044.db2.gz PBYFCWPDSUDSBF-SFHVURJKSA-N 1 3 321.509 2.299 20 0 DEADHO CC1CC(C[NH+]2CCC(C)(NC(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001446469150 1184362468 /nfs/dbraw/zinc/36/24/68/1184362468.db2.gz IXTJEOYJPBDKST-KLAILNCOSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@H](F)CN1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)CC ZINC001447039415 1184614937 /nfs/dbraw/zinc/61/49/37/1184614937.db2.gz KDLDXVLFSCHRPA-ARFHVFGLSA-N 1 3 313.461 2.142 20 0 DEADHO CC[C@H](F)CN1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001447039415 1184614938 /nfs/dbraw/zinc/61/49/38/1184614938.db2.gz KDLDXVLFSCHRPA-ARFHVFGLSA-N 1 3 313.461 2.142 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(F)c2)[C@H]1C ZINC001448973155 1185467220 /nfs/dbraw/zinc/46/72/20/1185467220.db2.gz DUKSRNQEQQEBMW-PBHICJAKSA-N 1 3 321.440 2.247 20 0 DEADHO C[C@@H]1[C@@H]([NH2+]CC2CCC2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001448982231 1185470393 /nfs/dbraw/zinc/47/03/93/1185470393.db2.gz MLDUKWYYNNYHDU-ZBFHGGJFSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(C)cc2)C[C@@H]1C ZINC001449008333 1185484799 /nfs/dbraw/zinc/48/47/99/1185484799.db2.gz IOOZEKGJUSXIBZ-FUHWJXTLSA-N 1 3 317.477 2.416 20 0 DEADHO CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001405033146 1163901454 /nfs/dbraw/zinc/90/14/54/1163901454.db2.gz MFZVQFGIASVIKJ-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001405033146 1163901482 /nfs/dbraw/zinc/90/14/82/1163901482.db2.gz MFZVQFGIASVIKJ-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)Cc1cnc2n1CCN(c1cccc(N)[nH+]1)[C@@H]2C ZINC001164857848 720940932 /nfs/dbraw/zinc/94/09/32/720940932.db2.gz HNGVVUFYPALASY-CYBMUJFWSA-N 1 3 314.437 2.282 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H]2[C@@H](CCN2C/C=C/Cl)C1 ZINC001406186372 1164499080 /nfs/dbraw/zinc/49/90/80/1164499080.db2.gz NWMGXIIQCVULPQ-VSWCJUERSA-N 1 3 313.873 2.004 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001370521530 1149804316 /nfs/dbraw/zinc/80/43/16/1149804316.db2.gz GALPIGGYUVMUDT-KLHDSHLOSA-N 1 3 313.461 2.234 20 0 DEADHO C[C@H](N[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1)c1ccccc1F ZINC001370524183 1149804857 /nfs/dbraw/zinc/80/48/57/1149804857.db2.gz XQOKJJYUHSEWSM-KKUMJFAQSA-N 1 3 321.440 2.465 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1)N(C)C ZINC001370670591 1149826701 /nfs/dbraw/zinc/82/67/01/1149826701.db2.gz JNGCFACSXFSYAI-QLFBSQMISA-N 1 3 309.479 2.071 20 0 DEADHO CC(C)=CC[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001072832651 790265325 /nfs/dbraw/zinc/26/53/25/790265325.db2.gz PJHQSGNCOLVWAP-INIZCTEOSA-N 1 3 307.482 2.073 20 0 DEADHO CC(C)=CC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001072832651 790265328 /nfs/dbraw/zinc/26/53/28/790265328.db2.gz PJHQSGNCOLVWAP-INIZCTEOSA-N 1 3 307.482 2.073 20 0 DEADHO Cc1cc(CNCCNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)cs1 ZINC001127256529 782379891 /nfs/dbraw/zinc/37/98/91/782379891.db2.gz OUVCOPGYQNQPQG-CVEARBPZSA-N 1 3 321.490 2.137 20 0 DEADHO Cc1cc(CNCCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)cs1 ZINC001127256529 782379897 /nfs/dbraw/zinc/37/98/97/782379897.db2.gz OUVCOPGYQNQPQG-CVEARBPZSA-N 1 3 321.490 2.137 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@H+](CCC)C1 ZINC001407001991 1164917723 /nfs/dbraw/zinc/91/77/23/1164917723.db2.gz NEEBGOPMYBJFFR-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@@H+](CCC)C1 ZINC001407001991 1164917731 /nfs/dbraw/zinc/91/77/31/1164917731.db2.gz NEEBGOPMYBJFFR-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CN(C)C1(C(=O)N[C@H](C[NH2+]C/C=C/Cl)C(C)(C)C)CCC1 ZINC001332807936 1149894663 /nfs/dbraw/zinc/89/46/63/1149894663.db2.gz SFFRUJWLYFVAEX-UTSBKAFOSA-N 1 3 315.889 2.344 20 0 DEADHO CN(C)C1(C(=O)N[C@@H](C[NH2+]C/C=C\Cl)C(C)(C)C)CCC1 ZINC001332807934 1149894444 /nfs/dbraw/zinc/89/44/44/1149894444.db2.gz SFFRUJWLYFVAEX-SZNGSJQDSA-N 1 3 315.889 2.344 20 0 DEADHO CCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249854 782574296 /nfs/dbraw/zinc/57/42/96/782574296.db2.gz STCNZJFYYKAZGN-DJIMGWMZSA-N 1 3 309.498 2.201 20 0 DEADHO Cc1cccc(C[NH2+]CCNC(=O)C(C)(C)N2CCCCC2)c1 ZINC001127316909 782628814 /nfs/dbraw/zinc/62/88/14/782628814.db2.gz DQXDARJYYGLLOK-UHFFFAOYSA-N 1 3 317.477 2.465 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCCC(C)C)[C@H](C)C1)N(C)C ZINC001106313290 782649178 /nfs/dbraw/zinc/64/91/78/782649178.db2.gz VXLPIQQDOQFZEV-BRWVUGGUSA-N 1 3 311.514 2.447 20 0 DEADHO CC[C@H](F)CNCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127357477 782798106 /nfs/dbraw/zinc/79/81/06/782798106.db2.gz ZBVFEXSPUFZTBM-CABCVRRESA-N 1 3 313.461 2.095 20 0 DEADHO CC[C@H](F)CNCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127357477 782798111 /nfs/dbraw/zinc/79/81/11/782798111.db2.gz ZBVFEXSPUFZTBM-CABCVRRESA-N 1 3 313.461 2.095 20 0 DEADHO CC(C)=CC[N@H+]1CC=C(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001333407044 1150046418 /nfs/dbraw/zinc/04/64/18/1150046418.db2.gz TVULWRBIORETHZ-INIZCTEOSA-N 1 3 305.466 2.043 20 0 DEADHO CC(C)=CC[N@@H+]1CC=C(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001333407044 1150046422 /nfs/dbraw/zinc/04/64/22/1150046422.db2.gz TVULWRBIORETHZ-INIZCTEOSA-N 1 3 305.466 2.043 20 0 DEADHO CC[C@H](C)C[NH2+]CC1(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001167224465 776780183 /nfs/dbraw/zinc/78/01/83/776780183.db2.gz KQJYVTVERQJQSI-JKSUJKDBSA-N 1 3 309.498 2.393 20 0 DEADHO CC/C=C/CC[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001206928673 776796239 /nfs/dbraw/zinc/79/62/39/776796239.db2.gz DZGYXXYWGXXVAN-ONEGZZNKSA-N 1 3 307.482 2.267 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC2CCC2)C1 ZINC001087213058 777350437 /nfs/dbraw/zinc/35/04/37/777350437.db2.gz CMNOUUDBYVZXEB-NUJGCVRESA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCC3CC3)C2)C1 ZINC001104680891 778018296 /nfs/dbraw/zinc/01/82/96/778018296.db2.gz YNWXKJPJEULVDX-JFIYKMOQSA-N 1 3 321.509 2.203 20 0 DEADHO C[C@@H]1CC[NH2+][C@@H](C(=O)N(C2CCCC2)C2CCN(C)CC2)C1 ZINC001161453343 778120722 /nfs/dbraw/zinc/12/07/22/778120722.db2.gz DOBSHDWVHYIBDQ-RHSMWYFYSA-N 1 3 307.482 2.240 20 0 DEADHO CC[C@@H](C)C[NH2+]CC[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001104809678 778191861 /nfs/dbraw/zinc/19/18/61/778191861.db2.gz NDVAAVKUGRWNPX-BRWVUGGUSA-N 1 3 311.514 2.449 20 0 DEADHO CC[NH2+]CC[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001105059125 778317726 /nfs/dbraw/zinc/31/77/26/778317726.db2.gz LPZQXGICBUOCLT-CRAIPNDOSA-N 1 3 317.477 2.456 20 0 DEADHO CCN(CC)CC(=O)NCCC1=CC[N@H+](CC[C@@H](C)F)CC1 ZINC001161504066 778503275 /nfs/dbraw/zinc/50/32/75/778503275.db2.gz ADTIEZDKADDHOV-OAHLLOKOSA-N 1 3 313.461 2.215 20 0 DEADHO CCN(CC)CC(=O)NCCC1=CC[N@@H+](CC[C@@H](C)F)CC1 ZINC001161504066 778503280 /nfs/dbraw/zinc/50/32/80/778503280.db2.gz ADTIEZDKADDHOV-OAHLLOKOSA-N 1 3 313.461 2.215 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001073461256 790669090 /nfs/dbraw/zinc/66/90/90/790669090.db2.gz BDQLNVRPZFZWKT-DLBZAZTESA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001073461256 790669092 /nfs/dbraw/zinc/66/90/92/790669092.db2.gz BDQLNVRPZFZWKT-DLBZAZTESA-N 1 3 321.509 2.441 20 0 DEADHO OCC1([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CCSCC1 ZINC001167973107 779132252 /nfs/dbraw/zinc/13/22/52/779132252.db2.gz GTAOCGQYEWJECA-MQVJKMGUSA-N 1 3 310.507 2.240 20 0 DEADHO OCC1(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCSCC1 ZINC001167973107 779132255 /nfs/dbraw/zinc/13/22/55/779132255.db2.gz GTAOCGQYEWJECA-MQVJKMGUSA-N 1 3 310.507 2.240 20 0 DEADHO OCC1(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCSCC1 ZINC001167973107 779132258 /nfs/dbraw/zinc/13/22/58/779132258.db2.gz GTAOCGQYEWJECA-MQVJKMGUSA-N 1 3 310.507 2.240 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2CC(C)C)CC[N@@H+]1CC1CC1 ZINC001087636493 779388656 /nfs/dbraw/zinc/38/86/56/779388656.db2.gz UCQXGKZRAANZBC-KSZLIROESA-N 1 3 321.509 2.486 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2CC(C)C)CC[N@H+]1CC1CC1 ZINC001087636493 779388665 /nfs/dbraw/zinc/38/86/65/779388665.db2.gz UCQXGKZRAANZBC-KSZLIROESA-N 1 3 321.509 2.486 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)CC[N@@H+]1CC(C)C ZINC001087672218 779403541 /nfs/dbraw/zinc/40/35/41/779403541.db2.gz JKAKRLTYZXUTCG-KSZLIROESA-N 1 3 321.509 2.486 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)CC[N@H+]1CC(C)C ZINC001087672218 779403547 /nfs/dbraw/zinc/40/35/47/779403547.db2.gz JKAKRLTYZXUTCG-KSZLIROESA-N 1 3 321.509 2.486 20 0 DEADHO C=CC(=O)NCCNC1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168021486 779425099 /nfs/dbraw/zinc/42/50/99/779425099.db2.gz OZWQXJOVAIGVRX-HZPDHXFCSA-N 1 3 315.461 2.320 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CC3CCC3)CC[C@@H]2C1 ZINC001088105813 779705783 /nfs/dbraw/zinc/70/57/83/779705783.db2.gz DHPOIDPWXZDKKR-NXHRZFHOSA-N 1 3 319.493 2.051 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CC3CCC3)CC[C@@H]2C1 ZINC001088105813 779705790 /nfs/dbraw/zinc/70/57/90/779705790.db2.gz DHPOIDPWXZDKKR-NXHRZFHOSA-N 1 3 319.493 2.051 20 0 DEADHO CNC(=O)CCN(C)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168055402 779722911 /nfs/dbraw/zinc/72/29/11/779722911.db2.gz VUZMCONCYFNSOO-ALXJQNPVSA-N 1 3 317.477 2.496 20 0 DEADHO CNC(=O)CCN(C)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168055402 779722920 /nfs/dbraw/zinc/72/29/20/779722920.db2.gz VUZMCONCYFNSOO-ALXJQNPVSA-N 1 3 317.477 2.496 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CC2CC2)C1)N(C)C ZINC001088330944 779976214 /nfs/dbraw/zinc/97/62/14/779976214.db2.gz MAUWLKHZDMHBNT-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CCOC(=O)c1ccc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC001142599415 781032428 /nfs/dbraw/zinc/03/24/28/781032428.db2.gz ICEUVCNSQAYUKL-SFHVURJKSA-N 1 3 302.418 2.391 20 0 DEADHO CCOC(=O)c1ccc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC001142599415 781032433 /nfs/dbraw/zinc/03/24/33/781032433.db2.gz ICEUVCNSQAYUKL-SFHVURJKSA-N 1 3 302.418 2.391 20 0 DEADHO CC(C)(C)C(=O)N1CC[C@@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC001168365967 781065195 /nfs/dbraw/zinc/06/51/95/781065195.db2.gz HCMIJRXAAMRIRB-MRXNPFEDSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000948244224 783390758 /nfs/dbraw/zinc/39/07/58/783390758.db2.gz FYMQQMHQXLUHIJ-IAGOWNOFSA-N 1 3 307.482 2.360 20 0 DEADHO CC(C)=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000948244224 783390762 /nfs/dbraw/zinc/39/07/62/783390762.db2.gz FYMQQMHQXLUHIJ-IAGOWNOFSA-N 1 3 307.482 2.360 20 0 DEADHO CC(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001085688954 783970761 /nfs/dbraw/zinc/97/07/61/783970761.db2.gz VJOWUELBYOEZRE-SJORKVTESA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001085688954 783970767 /nfs/dbraw/zinc/97/07/67/783970767.db2.gz VJOWUELBYOEZRE-SJORKVTESA-N 1 3 309.498 2.296 20 0 DEADHO CC[C@@H](C)CN1CC[C@H]1CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001085696009 783973927 /nfs/dbraw/zinc/97/39/27/783973927.db2.gz XOJWMUFZGKNBMP-CVEARBPZSA-N 1 3 307.482 2.194 20 0 DEADHO CCCCN1CC[C@@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085918287 784212814 /nfs/dbraw/zinc/21/28/14/784212814.db2.gz ZAILCTJMWNXJFX-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCCN1C/C=C/Cl ZINC000968782081 784587585 /nfs/dbraw/zinc/58/75/85/784587585.db2.gz SBGIBEYVTVQCHL-OVPGCVMQSA-N 1 3 313.873 2.194 20 0 DEADHO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCCN1C/C=C/Cl ZINC000968782081 784587588 /nfs/dbraw/zinc/58/75/88/784587588.db2.gz SBGIBEYVTVQCHL-OVPGCVMQSA-N 1 3 313.873 2.194 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CC2=CCCCC2)C1)C1CC1 ZINC000968912570 784647588 /nfs/dbraw/zinc/64/75/88/784647588.db2.gz KZYHYXUMTAMJTK-IAGOWNOFSA-N 1 3 305.466 2.018 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001007327991 784888621 /nfs/dbraw/zinc/88/86/21/784888621.db2.gz OOFROVVKYRSVBC-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001007327991 784888625 /nfs/dbraw/zinc/88/86/25/784888625.db2.gz OOFROVVKYRSVBC-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(C)CN(C(=O)OC(C)(C)C)C1)C2 ZINC001169092235 785040796 /nfs/dbraw/zinc/04/07/96/785040796.db2.gz AJAJBFCPDVNLJX-ZSOGYDGISA-N 1 3 309.454 2.211 20 0 DEADHO C[C@H](CCCC[NH2+]CCCF)NC(=O)C1(N(C)C)CCC1 ZINC001171236143 791081102 /nfs/dbraw/zinc/08/11/02/791081102.db2.gz LQXLROGGKFFFPK-CQSZACIVSA-N 1 3 301.450 2.095 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CCC[N@H+](CCC2CC2)C1)N1CCCC1 ZINC001008161132 785123204 /nfs/dbraw/zinc/12/32/04/785123204.db2.gz DWFQQHKIMLAJGX-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)C1)N1CCCC1 ZINC001008161132 785123211 /nfs/dbraw/zinc/12/32/11/785123211.db2.gz DWFQQHKIMLAJGX-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)(C(=O)N[C@H]1CCC[N@H+](CC2CCC2)C1)N1CCCC1 ZINC001008163617 785124493 /nfs/dbraw/zinc/12/44/93/785124493.db2.gz QGTJZUGJVGRYMR-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)(C(=O)N[C@H]1CCC[N@@H+](CC2CCC2)C1)N1CCCC1 ZINC001008163617 785124498 /nfs/dbraw/zinc/12/44/98/785124498.db2.gz QGTJZUGJVGRYMR-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CC(=O)N1CCC[C@H](N(Cc2ccccc2)C[C@H](C)C[NH3+])C1 ZINC001169585468 785264773 /nfs/dbraw/zinc/26/47/73/785264773.db2.gz ICVZBIYAKPKSSC-QAPCUYQASA-N 1 3 303.450 2.094 20 0 DEADHO Cc1ccccc1CN1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009506594 785468544 /nfs/dbraw/zinc/46/85/44/785468544.db2.gz DMILKPCGNDNPST-QZTJIDSGSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccccc1CN1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001009506594 785468549 /nfs/dbraw/zinc/46/85/49/785468549.db2.gz DMILKPCGNDNPST-QZTJIDSGSA-N 1 3 315.461 2.027 20 0 DEADHO C[C@H](CCCC[NH2+]C/C=C/Cl)NC(=O)[C@H](C1CC1)N(C)C ZINC001171248952 791126909 /nfs/dbraw/zinc/12/69/09/791126909.db2.gz ZGZSLUTVBJCHDU-ZSDOXGQDSA-N 1 3 315.889 2.344 20 0 DEADHO CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCCN1CC)C2 ZINC001112585928 786164207 /nfs/dbraw/zinc/16/42/07/786164207.db2.gz ZWHGCCWCGJJNCU-LNLFQRSKSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C(C)C)C2 ZINC001112586056 786165151 /nfs/dbraw/zinc/16/51/51/786165151.db2.gz FMLGWFMSVMSOMW-WMZOPIPTSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)C[C@@H](C)CN1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001112857238 786259059 /nfs/dbraw/zinc/25/90/59/786259059.db2.gz BMXONOFXHWWZDO-SJLPKXTDSA-N 1 3 321.509 2.155 20 0 DEADHO O=C(N[C@H]1CCN(CC2=CCCCC2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001014470790 786594934 /nfs/dbraw/zinc/59/49/34/786594934.db2.gz UWXXLPIMVCESMU-ZWKOTPCHSA-N 1 3 317.477 2.019 20 0 DEADHO CC[C@@H](C)CN1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001113722800 786778948 /nfs/dbraw/zinc/77/89/48/786778948.db2.gz CPRKOWSPQNKDPG-QGZVFWFLSA-N 1 3 309.498 2.443 20 0 DEADHO CCOC(=O)c1cc2c(cc(C)[nH+]c2NCC2CN(C)C2)n1C ZINC001170253291 786888627 /nfs/dbraw/zinc/88/86/27/786888627.db2.gz XLDMABDBMKNIKB-UHFFFAOYSA-N 1 3 316.405 2.032 20 0 DEADHO CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1C(C)C ZINC001114262889 787191185 /nfs/dbraw/zinc/19/11/85/787191185.db2.gz LNYQTGUDUDBOMG-XDNAFOTISA-N 1 3 321.509 2.486 20 0 DEADHO CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1C(C)C ZINC001114262889 787191187 /nfs/dbraw/zinc/19/11/87/787191187.db2.gz LNYQTGUDUDBOMG-XDNAFOTISA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)c1ccc(N2CCN(CC3CC[NH+](C)CC3)CC2)nn1 ZINC001157838028 787192237 /nfs/dbraw/zinc/19/22/37/787192237.db2.gz OMXPPZDJLPAOAU-UHFFFAOYSA-N 1 3 317.481 2.064 20 0 DEADHO C[C@@H]([NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C)c1ccc(Cl)cc1 ZINC001129454241 787213556 /nfs/dbraw/zinc/21/35/56/787213556.db2.gz IALCADXODKTFTD-MLGOLLRUSA-N 1 3 323.868 2.447 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)N(C)C ZINC001129435307 787214273 /nfs/dbraw/zinc/21/42/73/787214273.db2.gz FCPOLSMANNOMMC-YOEHRIQHSA-N 1 3 303.450 2.102 20 0 DEADHO CN(C)[C@@H](C(=O)NCC[NH2+]CCCCc1ccccc1)C1CC1 ZINC001129443788 787215369 /nfs/dbraw/zinc/21/53/69/787215369.db2.gz NIIKRZXLOHCSNC-GOSISDBHSA-N 1 3 317.477 2.055 20 0 DEADHO Cc1cccc(Cl)c1CNCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129442739 787215580 /nfs/dbraw/zinc/21/55/80/787215580.db2.gz FAKPFBXTFQDJDL-MRXNPFEDSA-N 1 3 323.868 2.194 20 0 DEADHO Cc1cccc([C@H](C)[NH2+]CCNC(=O)CN(C)C2CCC2)c1 ZINC001129535675 787225611 /nfs/dbraw/zinc/22/56/11/787225611.db2.gz XXRGGIZZWQBCLI-HNNXBMFYSA-N 1 3 303.450 2.246 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[NH2+]C[C@@H]1CCCC(F)(F)C1)N(C)C ZINC001129949537 787262825 /nfs/dbraw/zinc/26/28/25/787262825.db2.gz FIEYTOUEGPRMLW-KGLIPLIRSA-N 1 3 319.440 2.104 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+][C@@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001130203385 787313338 /nfs/dbraw/zinc/31/33/38/787313338.db2.gz JPPRRGLOEVSNBB-KBXCAEBGSA-N 1 3 317.477 2.282 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+][C@H](C)c1ccc(F)c(F)c1)N(C)C ZINC001130201241 787316829 /nfs/dbraw/zinc/31/68/29/787316829.db2.gz ZCKUVLSGSRVGDB-IAQYHMDHSA-N 1 3 313.392 2.072 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001130427634 787388544 /nfs/dbraw/zinc/38/85/44/787388544.db2.gz PKFRBIGRLDCQAO-LLVKDONJSA-N 1 3 324.296 2.006 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CCCc1ccccc1C ZINC001130427590 787388669 /nfs/dbraw/zinc/38/86/69/787388669.db2.gz NTLLASBTRHDWSA-UHFFFAOYSA-N 1 3 319.493 2.364 20 0 DEADHO C[C@H](Nc1ccc(SC2CC[NH2+]CC2)cc1)[C@H]1CNCCO1 ZINC001170574361 787662430 /nfs/dbraw/zinc/66/24/30/787662430.db2.gz NDWJKLRWBHOMCG-SUMWQHHRSA-N 1 3 321.490 2.320 20 0 DEADHO CC(C)C1=[NH+]CCc2ccc(N[C@H](C)[C@H]3CNCCO3)cc21 ZINC001170574648 787665438 /nfs/dbraw/zinc/66/54/38/787665438.db2.gz NGVZOVDFXVZLFY-CXAGYDPISA-N 1 3 301.434 2.477 20 0 DEADHO C[NH+](C)CC1(C(=O)NCCNCc2ccsc2)CCCCC1 ZINC001131799098 787743381 /nfs/dbraw/zinc/74/33/81/787743381.db2.gz HSQAJQRKWKKVSQ-UHFFFAOYSA-N 1 3 323.506 2.466 20 0 DEADHO Cc1ccc(F)cc1CNCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132886058 788217905 /nfs/dbraw/zinc/21/79/05/788217905.db2.gz BCVQEORKHBZDMT-GJZGRUSLSA-N 1 3 321.440 2.070 20 0 DEADHO Cc1ccc(F)cc1CNCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132886058 788217910 /nfs/dbraw/zinc/21/79/10/788217910.db2.gz BCVQEORKHBZDMT-GJZGRUSLSA-N 1 3 321.440 2.070 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1C ZINC001132891894 788219590 /nfs/dbraw/zinc/21/95/90/788219590.db2.gz ALUQIQWVKCPRID-JKSUJKDBSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1C ZINC001132889017 788219994 /nfs/dbraw/zinc/21/99/94/788219994.db2.gz URDRMZYLSBAVLS-HZPDHXFCSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)Oc1ccccc1CNCCNC(=O)CCC[NH+](C)C ZINC001133040208 788258974 /nfs/dbraw/zinc/25/89/74/788258974.db2.gz GFGIRXARVQYZPC-UHFFFAOYSA-N 1 3 321.465 2.021 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCC2CC2)C1 ZINC001133177292 788307435 /nfs/dbraw/zinc/30/74/35/788307435.db2.gz DFPSWOXUNOVTKC-RDJZCZTQSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@H](N)c1ncc(-c2ccccc2)n1-c1nccc(C2C[NH2+]C2)n1 ZINC001170681668 788384049 /nfs/dbraw/zinc/38/40/49/788384049.db2.gz UHDBKANXMZPGSU-LBPRGKRZSA-N 1 3 320.400 2.036 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]CC/C=C\c1ccccc1 ZINC001133823488 788620123 /nfs/dbraw/zinc/62/01/23/788620123.db2.gz HOHPGFKDFKTPNX-NGNXSQLZSA-N 1 3 315.461 2.280 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]CCC2CCCCCC2)C1 ZINC001133845763 788638579 /nfs/dbraw/zinc/63/85/79/788638579.db2.gz MUYXBFDAHXLALP-MRXNPFEDSA-N 1 3 309.498 2.395 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001133845678 788638741 /nfs/dbraw/zinc/63/87/41/788638741.db2.gz LNZQYMJSASLIFN-HNNXBMFYSA-N 1 3 315.461 2.112 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[NH2+][C@H]2CCCc3ccccc32)C1 ZINC001133850079 788641364 /nfs/dbraw/zinc/64/13/64/788641364.db2.gz IPXXFQBPRXVAKX-QAPCUYQASA-N 1 3 315.461 2.112 20 0 DEADHO CC1(C)CCN(CC(=O)NCC[NH2+]Cc2cccc(Cl)c2)C1 ZINC001133893700 788660790 /nfs/dbraw/zinc/66/07/90/788660790.db2.gz MVPCDAXAEBAFAG-UHFFFAOYSA-N 1 3 323.868 2.278 20 0 DEADHO CCc1cccc(C[NH2+]CCNC(=O)CN2CCC(C)(C)C2)c1 ZINC001133894243 788662451 /nfs/dbraw/zinc/66/24/51/788662451.db2.gz ZHFHILFGAAWCFJ-UHFFFAOYSA-N 1 3 317.477 2.187 20 0 DEADHO CN(CC(=O)NCC[NH2+]C[C@@H]1CCC(F)(F)C1)CC(C)(C)C ZINC001133907904 788667218 /nfs/dbraw/zinc/66/72/18/788667218.db2.gz CKVRLCSDQBADCA-CYBMUJFWSA-N 1 3 319.440 2.106 20 0 DEADHO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])[C@@H](N[C@@H]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001170736965 788803667 /nfs/dbraw/zinc/80/36/67/788803667.db2.gz UTSXCIBMSBLTFR-QMIVOQANSA-N 1 3 323.481 2.347 20 0 DEADHO C[C@H](C[C@H](C)NC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cncs1 ZINC001134583429 788988837 /nfs/dbraw/zinc/98/88/37/788988837.db2.gz KIAWWTBGHYRUKI-OLZOCXBDSA-N 1 3 324.494 2.000 20 0 DEADHO C[C@H](NCCNC(=O)CC1CC[NH+](C)CC1)c1ccccc1F ZINC001134782706 789083168 /nfs/dbraw/zinc/08/31/68/789083168.db2.gz JZBYDTAPHRRMSP-AWEZNQCLSA-N 1 3 321.440 2.324 20 0 DEADHO Cc1cc(CNCCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)cs1 ZINC001135102216 789199028 /nfs/dbraw/zinc/19/90/28/789199028.db2.gz AAIAPFOAVOBPEX-CVEARBPZSA-N 1 3 321.490 2.279 20 0 DEADHO Cc1cc(CNCCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)cs1 ZINC001135102216 789199035 /nfs/dbraw/zinc/19/90/35/789199035.db2.gz AAIAPFOAVOBPEX-CVEARBPZSA-N 1 3 321.490 2.279 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+]CC[C@H]1CCc2ccccc21 ZINC001135511370 789381260 /nfs/dbraw/zinc/38/12/60/789381260.db2.gz OZUHUWSGVRSLMT-QGZVFWFLSA-N 1 3 317.477 2.154 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC001135513472 789382261 /nfs/dbraw/zinc/38/22/61/789382261.db2.gz PESCHHMDHZCXKW-MRXNPFEDSA-N 1 3 305.466 2.412 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCCCF ZINC001136032244 789601065 /nfs/dbraw/zinc/60/10/65/789601065.db2.gz YANNPRKVPIAHIB-QWHCGFSZSA-N 1 3 312.433 2.273 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1 ZINC001136031842 789601471 /nfs/dbraw/zinc/60/14/71/789601471.db2.gz RECFQBKVNXIEND-KBPBESRZSA-N 1 3 314.433 2.334 20 0 DEADHO C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C[NH2+]CC1CCC1 ZINC001072298339 790109253 /nfs/dbraw/zinc/10/92/53/790109253.db2.gz XVWZKCFRXCXROF-RDJZCZTQSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]CC1CC1 ZINC001072364877 790124496 /nfs/dbraw/zinc/12/44/96/790124496.db2.gz BAJXEUXAFFFQMS-DOTOQJQBSA-N 1 3 321.509 2.203 20 0 DEADHO CC(C)(C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2)N1CCCCC1 ZINC001072734442 790233356 /nfs/dbraw/zinc/23/33/56/790233356.db2.gz IDNNOLDSNLOZEW-UHFFFAOYSA-N 1 3 319.493 2.195 20 0 DEADHO CC(C)(C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2)N1CCCCC1 ZINC001072734442 790233362 /nfs/dbraw/zinc/23/33/62/790233362.db2.gz IDNNOLDSNLOZEW-UHFFFAOYSA-N 1 3 319.493 2.195 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCc2cccs2)[C@@H]1C)N(C)C ZINC001074709940 791269988 /nfs/dbraw/zinc/26/99/88/791269988.db2.gz XAGCNMPAVYKJOY-CWRNSKLLSA-N 1 3 323.506 2.210 20 0 DEADHO CC[N@H+](C)CCC(=O)NCCN[C@@H](C)c1ccc(F)c(F)c1 ZINC001146711481 791347137 /nfs/dbraw/zinc/34/71/37/791347137.db2.gz SZJJPANLWSTLEF-LBPRGKRZSA-N 1 3 313.392 2.073 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCCN[C@@H](C)c1ccc(F)c(F)c1 ZINC001146711481 791347143 /nfs/dbraw/zinc/34/71/43/791347143.db2.gz SZJJPANLWSTLEF-LBPRGKRZSA-N 1 3 313.392 2.073 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1C[NH2+]CC1CCC1 ZINC001075290565 791562247 /nfs/dbraw/zinc/56/22/47/791562247.db2.gz OCDHJMJVMCHGMA-WBVHZDCISA-N 1 3 321.509 2.345 20 0 DEADHO CC/C=C/CC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001147748310 791616672 /nfs/dbraw/zinc/61/66/72/791616672.db2.gz LYJOPZZXPUVRGH-OZSKJFCKSA-N 1 3 321.509 2.463 20 0 DEADHO CC/C=C/CC[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001147748310 791616681 /nfs/dbraw/zinc/61/66/81/791616681.db2.gz LYJOPZZXPUVRGH-OZSKJFCKSA-N 1 3 321.509 2.463 20 0 DEADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCNCc2ccc(F)cc2)C1 ZINC001147825786 791631741 /nfs/dbraw/zinc/63/17/41/791631741.db2.gz RMDBSXGLLSEUEA-RDJZCZTQSA-N 1 3 321.440 2.152 20 0 DEADHO CCCCC[N@@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001148286723 791729493 /nfs/dbraw/zinc/72/94/93/791729493.db2.gz XFVVTPUQCZTWBO-INIZCTEOSA-N 1 3 307.482 2.053 20 0 DEADHO CCCCC[N@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001148286723 791729500 /nfs/dbraw/zinc/72/95/00/791729500.db2.gz XFVVTPUQCZTWBO-INIZCTEOSA-N 1 3 307.482 2.053 20 0 DEADHO CC(C)=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001091738114 791784190 /nfs/dbraw/zinc/78/41/90/791784190.db2.gz QVHZMWKXUPDLAZ-LMMKCTJWSA-N 1 3 319.493 2.073 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001091738114 791784194 /nfs/dbraw/zinc/78/41/94/791784194.db2.gz QVHZMWKXUPDLAZ-LMMKCTJWSA-N 1 3 319.493 2.073 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+]Cc1ccc(C(C)C)nc1C ZINC001148638108 791785949 /nfs/dbraw/zinc/78/59/49/791785949.db2.gz CPTIQQWIPVLMFJ-UHFFFAOYSA-N 1 3 320.481 2.061 20 0 DEADHO CC(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC001086907755 791845267 /nfs/dbraw/zinc/84/52/67/791845267.db2.gz ATNIEDLVRUIONF-DLBZAZTESA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCCF)N(C)C ZINC001171367460 791883965 /nfs/dbraw/zinc/88/39/65/791883965.db2.gz MUEAADOHESOLSV-GJZGRUSLSA-N 1 3 303.466 2.197 20 0 DEADHO CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(CC)CC ZINC001099539113 792234555 /nfs/dbraw/zinc/23/45/55/792234555.db2.gz ZGADNVYJQASZBF-MLHJIOFPSA-N 1 3 321.509 2.297 20 0 DEADHO CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(CC)CC ZINC001099539113 792234563 /nfs/dbraw/zinc/23/45/63/792234563.db2.gz ZGADNVYJQASZBF-MLHJIOFPSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@@H](C(=O)N1CCC([C@@H]2[N@H+](CC)CC23CCC3)CC1)N(C)C ZINC001093380315 792352344 /nfs/dbraw/zinc/35/23/44/792352344.db2.gz XATAJYGSUGPVJL-IRXDYDNUSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CCC([C@@H]2[N@@H+](CC)CC23CCC3)CC1)N(C)C ZINC001093380315 792352354 /nfs/dbraw/zinc/35/23/54/792352354.db2.gz XATAJYGSUGPVJL-IRXDYDNUSA-N 1 3 321.509 2.440 20 0 DEADHO CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001093383449 792353426 /nfs/dbraw/zinc/35/34/26/792353426.db2.gz LBBAGTXRQHTYJC-GOSISDBHSA-N 1 3 319.493 2.195 20 0 DEADHO CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001093383449 792353437 /nfs/dbraw/zinc/35/34/37/792353437.db2.gz LBBAGTXRQHTYJC-GOSISDBHSA-N 1 3 319.493 2.195 20 0 DEADHO CC1CC(C[NH2+]C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C)C1 ZINC001093825593 792607687 /nfs/dbraw/zinc/60/76/87/792607687.db2.gz KGLUJRRGTNDGRL-MNAZLIDISA-N 1 3 321.509 2.201 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC2CCCC2)[C@H](C)C1)N(C)C ZINC001094049498 792701481 /nfs/dbraw/zinc/70/14/81/792701481.db2.gz WVCUMHQLSCIQJT-OIISXLGYSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC2CC([NH2+]Cc3ccsc3)C2)C1 ZINC001100678263 792784800 /nfs/dbraw/zinc/78/48/00/792784800.db2.gz FHHKDHSVKQXHCW-JEYLPNPQSA-N 1 3 321.490 2.074 20 0 DEADHO CCN(CC)CC(=O)NCC1CC([NH2+]Cc2ccc(C)cc2)C1 ZINC001100769581 792832901 /nfs/dbraw/zinc/83/29/01/792832901.db2.gz QPWUYNCQHJSMCQ-UHFFFAOYSA-N 1 3 317.477 2.321 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001171770573 793202453 /nfs/dbraw/zinc/20/24/53/793202453.db2.gz SZSUAKAJHIVSCL-AWEZNQCLSA-N 1 3 309.429 2.324 20 0 DEADHO CC1(C)C[C@H](NCCn2ccnn2)CC[N@@H+]1Cc1ccccc1 ZINC001171966614 793260576 /nfs/dbraw/zinc/26/05/76/793260576.db2.gz VUEJRLKXWKVIEW-QGZVFWFLSA-N 1 3 313.449 2.311 20 0 DEADHO CC1(C)C[C@H](NCCn2ccnn2)CC[N@H+]1Cc1ccccc1 ZINC001171966614 793260579 /nfs/dbraw/zinc/26/05/79/793260579.db2.gz VUEJRLKXWKVIEW-QGZVFWFLSA-N 1 3 313.449 2.311 20 0 DEADHO CC(=O)N1CC([NH2+][C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)C1 ZINC001171974457 793283795 /nfs/dbraw/zinc/28/37/95/793283795.db2.gz GFUZXZJFCGAHAQ-QGZVFWFLSA-N 1 3 315.461 2.250 20 0 DEADHO C[C@H](CN)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172088267 793312325 /nfs/dbraw/zinc/31/23/25/793312325.db2.gz KMKUSSXXJVTSSD-APIJFGDWSA-N 1 3 311.470 2.491 20 0 DEADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC(CNC(=O)OC(C)(C)C)C1)C2 ZINC001172122064 793340934 /nfs/dbraw/zinc/34/09/34/793340934.db2.gz WKKFNAJZRAABIE-ZSHCYNCHSA-N 1 3 323.481 2.458 20 0 DEADHO COCCC[NH+]1CCC(NCC2(c3ccccn3)CC2)CC1 ZINC001172246783 793386308 /nfs/dbraw/zinc/38/63/08/793386308.db2.gz UNMUJSODAQPJJM-UHFFFAOYSA-N 1 3 303.450 2.204 20 0 DEADHO CC[C@@H](C)C[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001206170244 793461853 /nfs/dbraw/zinc/46/18/53/793461853.db2.gz ZJTPALNMYJGLKX-NVXWUHKLSA-N 1 3 311.514 2.447 20 0 DEADHO COCCCOc1ccc(C[N@@H+]2CC[C@@H](N)[C@H](F)CC2)cc1 ZINC001206185576 793560526 /nfs/dbraw/zinc/56/05/26/793560526.db2.gz OJBXGRLYRAZZKA-IAGOWNOFSA-N 1 3 310.413 2.363 20 0 DEADHO COCCCOc1ccc(C[N@H+]2CC[C@@H](N)[C@H](F)CC2)cc1 ZINC001206185576 793560529 /nfs/dbraw/zinc/56/05/29/793560529.db2.gz OJBXGRLYRAZZKA-IAGOWNOFSA-N 1 3 310.413 2.363 20 0 DEADHO CC(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)(C)C1)C2 ZINC001095000162 793567735 /nfs/dbraw/zinc/56/77/35/793567735.db2.gz VCOKACNTBHTUGS-BBWFWOEESA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CN(C/C=C\Cl)C[C@H]1C)[NH+](C)C ZINC001102330475 793577269 /nfs/dbraw/zinc/57/72/69/793577269.db2.gz XRKYDLKKCAYSPO-XQIWKARSSA-N 1 3 315.889 2.009 20 0 DEADHO CC[NH+](CC)C1CCC(N2CCN(c3ccncn3)CC2)CC1 ZINC001173112578 793581085 /nfs/dbraw/zinc/58/10/85/793581085.db2.gz CHOJVSFIJJODOZ-UHFFFAOYSA-N 1 3 317.481 2.252 20 0 DEADHO CC(C)CCC[N@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369819 793589440 /nfs/dbraw/zinc/58/94/40/793589440.db2.gz HXCREEMCRSWOJO-RCCFBDPRSA-N 1 3 323.525 2.449 20 0 DEADHO CC(C)CCC[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369819 793589448 /nfs/dbraw/zinc/58/94/48/793589448.db2.gz HXCREEMCRSWOJO-RCCFBDPRSA-N 1 3 323.525 2.449 20 0 DEADHO CC(C)CC[N@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102372288 793590880 /nfs/dbraw/zinc/59/08/80/793590880.db2.gz ATWYROIUJQXMGO-BRWVUGGUSA-N 1 3 309.498 2.058 20 0 DEADHO CC(C)CC[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102372288 793590887 /nfs/dbraw/zinc/59/08/87/793590887.db2.gz ATWYROIUJQXMGO-BRWVUGGUSA-N 1 3 309.498 2.058 20 0 DEADHO C[C@H](C(=O)NC[C@@H]1C[N@H+](CC2CC2)C[C@H]1C)N1CCCCCC1 ZINC001102430006 793612513 /nfs/dbraw/zinc/61/25/13/793612513.db2.gz AGOIQNKPPUZLEN-JFIYKMOQSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H](C(=O)NC[C@@H]1C[N@@H+](CC2CC2)C[C@H]1C)N1CCCCCC1 ZINC001102430006 793612517 /nfs/dbraw/zinc/61/25/17/793612517.db2.gz AGOIQNKPPUZLEN-JFIYKMOQSA-N 1 3 321.509 2.345 20 0 DEADHO COC(=O)CCCC[C@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC001173448455 793738622 /nfs/dbraw/zinc/73/86/22/793738622.db2.gz XULJONFZGDIHGO-HNNXBMFYSA-N 1 3 305.422 2.326 20 0 DEADHO COC(=O)CCCC[C@H](C)[NH+]1CCN(c2ccncc2)CC1 ZINC001173448455 793738626 /nfs/dbraw/zinc/73/86/26/793738626.db2.gz XULJONFZGDIHGO-HNNXBMFYSA-N 1 3 305.422 2.326 20 0 DEADHO CC1(C)CC(N)CC(C)(C)[NH+]1[C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173736182 793828349 /nfs/dbraw/zinc/82/83/49/793828349.db2.gz YMDJGBHRMPUVCS-ZIAGYGMSSA-N 1 3 306.458 2.137 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001174692819 794058770 /nfs/dbraw/zinc/05/87/70/794058770.db2.gz XAFPHEINDVYQNO-GFCCVEGCSA-N 1 3 318.396 2.257 20 0 DEADHO Cc1ncc(CNCCCC[C@H](C)NC(=O)CCC[NH+](C)C)o1 ZINC001174950906 794109720 /nfs/dbraw/zinc/10/97/20/794109720.db2.gz ZSEOEHWGNXFWQY-AWEZNQCLSA-N 1 3 324.469 2.089 20 0 DEADHO Cc1cc(CNCCCC[C@H](C)NC(=O)CCC[NH+](C)C)on1 ZINC001174960658 794112093 /nfs/dbraw/zinc/11/20/93/794112093.db2.gz GXVXXRXPNUFZOU-AWEZNQCLSA-N 1 3 324.469 2.089 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]C/C=C\Cl)N(C)C ZINC001175305698 794177202 /nfs/dbraw/zinc/17/72/02/794177202.db2.gz QISKMEMDOYZNEE-HLVYMJRYSA-N 1 3 303.878 2.344 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCF ZINC001175572711 794245360 /nfs/dbraw/zinc/24/53/60/794245360.db2.gz KHPUGDPKJJMWRV-HOTGVXAUSA-N 1 3 315.477 2.483 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccn1 ZINC001176279829 794389764 /nfs/dbraw/zinc/38/97/64/794389764.db2.gz QWUFVSINPQFFPF-INIZCTEOSA-N 1 3 320.481 2.188 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CC=C(Cl)Cl ZINC001176992083 794551760 /nfs/dbraw/zinc/55/17/60/794551760.db2.gz IOQATYRWWUJRQO-LBPRGKRZSA-N 1 3 322.280 2.276 20 0 DEADHO CCCCCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCC)C[C@H]21 ZINC001114984719 794646359 /nfs/dbraw/zinc/64/63/59/794646359.db2.gz LTKYISINNUSFFW-VQFNDLOPSA-N 1 3 309.498 2.345 20 0 DEADHO CCCCCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC)C[C@H]21 ZINC001114984719 794646364 /nfs/dbraw/zinc/64/63/64/794646364.db2.gz LTKYISINNUSFFW-VQFNDLOPSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]CCF)CCCCC1 ZINC001115563425 794823196 /nfs/dbraw/zinc/82/31/96/794823196.db2.gz UITXIVWTMFGUBV-HNNXBMFYSA-N 1 3 313.461 2.239 20 0 DEADHO CN(C)[C@@H](C(=O)NCC1([NH2+]CCCF)CCCCC1)C1CC1 ZINC001115573112 794826229 /nfs/dbraw/zinc/82/62/29/794826229.db2.gz ILAIDKOBFHXMJW-OAHLLOKOSA-N 1 3 313.461 2.095 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]CC[C@@H](C)F)CCCCC1)N(C)C ZINC001115591847 794831519 /nfs/dbraw/zinc/83/15/19/794831519.db2.gz HYKRYQFQZAGUIM-HUUCEWRRSA-N 1 3 315.477 2.483 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]CC[C@H](C)F)CCCCC1)N(C)C ZINC001115734312 794900589 /nfs/dbraw/zinc/90/05/89/794900589.db2.gz HYKRYQFQZAGUIM-GJZGRUSLSA-N 1 3 315.477 2.483 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CCF ZINC001179746442 795170590 /nfs/dbraw/zinc/17/05/90/795170590.db2.gz UMSQPWUILZZBKB-INIZCTEOSA-N 1 3 315.477 2.485 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC[C@H]([NH2+]CC2CC2)[C@@H]1C ZINC001179748986 795171616 /nfs/dbraw/zinc/17/16/16/795171616.db2.gz SDYUNMSIXKWLDC-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](F)C[NH2+]C1(CNC(=O)CN(C)C(C)C)CCCCC1 ZINC001120208265 795422048 /nfs/dbraw/zinc/42/20/48/795422048.db2.gz XOMBXVRIPKOVEQ-OAHLLOKOSA-N 1 3 315.477 2.483 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]C[C@@H](O)c2ccccc2)C[C@@H](C)O1 ZINC001120480651 795470053 /nfs/dbraw/zinc/47/00/53/795470053.db2.gz ABMNVDQJYSZURN-JFIYKMOQSA-N 1 3 306.450 2.199 20 0 DEADHO CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001181801358 795542375 /nfs/dbraw/zinc/54/23/75/795542375.db2.gz XSVIIEDPEJEAGH-SOLBZPMBSA-N 1 3 311.514 2.447 20 0 DEADHO CCCCN(CC)[C@H](C(=O)N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC001182234011 795626698 /nfs/dbraw/zinc/62/66/98/795626698.db2.gz BFNNAVCSTOSEPO-IRXDYDNUSA-N 1 3 303.450 2.328 20 0 DEADHO CC(C)=CC[NH2+]C1CC2(CC(NC(=O)CN3CCC[C@H]3C)C2)C1 ZINC001121767774 795684698 /nfs/dbraw/zinc/68/46/98/795684698.db2.gz KMHMVTDEQHYMOU-FIXVGMIGSA-N 1 3 319.493 2.454 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C/C=C\Cl)C1)N(C)C ZINC001182637541 795717080 /nfs/dbraw/zinc/71/70/80/795717080.db2.gz IMHPJOMRKGSMSD-RJYNPGADSA-N 1 3 315.889 2.153 20 0 DEADHO CCCN(C)CC(=O)NC1CC2(C1)CC([NH2+]C[C@@H](F)CC)C2 ZINC001122107067 795726570 /nfs/dbraw/zinc/72/65/70/795726570.db2.gz ZMDMVFHYCLBLSG-DPGVGJJJSA-N 1 3 313.461 2.093 20 0 DEADHO COC(=O)N1CCC([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000152494280 795759657 /nfs/dbraw/zinc/75/96/57/795759657.db2.gz PZKMEUQEYPBLMB-UHFFFAOYSA-N 1 3 309.454 2.214 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1)C1CC1 ZINC001183267269 795842939 /nfs/dbraw/zinc/84/29/39/795842939.db2.gz LNBDEYMMRNYGCJ-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CCC2CC2)[C@H](C)C1 ZINC001185549054 796280346 /nfs/dbraw/zinc/28/03/46/796280346.db2.gz OXCQMZBBBZVOME-WBVHZDCISA-N 1 3 309.498 2.203 20 0 DEADHO CN(CC(=O)N1CC[C@@H]([NH2+]CC2CCCC2)C1)CC(C)(C)C ZINC001185706580 796308574 /nfs/dbraw/zinc/30/85/74/796308574.db2.gz PDFZGQLBOVDBML-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]C/C=C\Cl)[C@H](C)C1 ZINC001185753352 796316226 /nfs/dbraw/zinc/31/62/26/796316226.db2.gz XRGSWBSKFXTZNT-IORUMNFESA-N 1 3 315.889 2.153 20 0 DEADHO C[N@@H+]1CCC[C@H](C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC001186362916 796394853 /nfs/dbraw/zinc/39/48/53/796394853.db2.gz WCKMFQDWMVDDIK-ZWKOTPCHSA-N 1 3 315.461 2.282 20 0 DEADHO C[N@H+]1CCC[C@H](C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC001186362916 796394857 /nfs/dbraw/zinc/39/48/57/796394857.db2.gz WCKMFQDWMVDDIK-ZWKOTPCHSA-N 1 3 315.461 2.282 20 0 DEADHO CC(C)C[NH2+][C@@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203028330 796514754 /nfs/dbraw/zinc/51/47/54/796514754.db2.gz LTTIGPUZZGYYQM-CABCVRRESA-N 1 3 307.482 2.144 20 0 DEADHO C[C@@H](F)CC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001188084159 796625109 /nfs/dbraw/zinc/62/51/09/796625109.db2.gz FVPCLYWVRXIPRP-RHSMWYFYSA-N 1 3 321.440 2.300 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC3CC3)C[C@H]21)N(CC)CC ZINC001189110818 796764380 /nfs/dbraw/zinc/76/43/80/796764380.db2.gz TZQLYJICHOQMJA-YESZJQIVSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CC3)C[C@H]21)N(CC)CC ZINC001189110818 796764386 /nfs/dbraw/zinc/76/43/86/796764386.db2.gz TZQLYJICHOQMJA-YESZJQIVSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CCC3CC3)C[C@H]21)N(CC)CC ZINC001189109983 796764926 /nfs/dbraw/zinc/76/49/26/796764926.db2.gz HVGOQHLYEJTQJV-RCCFBDPRSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CCC3CC3)C[C@H]21)N(CC)CC ZINC001189109983 796764932 /nfs/dbraw/zinc/76/49/32/796764932.db2.gz HVGOQHLYEJTQJV-RCCFBDPRSA-N 1 3 321.509 2.440 20 0 DEADHO CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001190653821 797049466 /nfs/dbraw/zinc/04/94/66/797049466.db2.gz GSMGHDCEJSMJOW-SEDCNLEPSA-N 1 3 307.482 2.216 20 0 DEADHO CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001190653821 797049468 /nfs/dbraw/zinc/04/94/68/797049468.db2.gz GSMGHDCEJSMJOW-SEDCNLEPSA-N 1 3 307.482 2.216 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC[NH2+]CCCc1ccsc1 ZINC001152146815 797150227 /nfs/dbraw/zinc/15/02/27/797150227.db2.gz JVPTYCNTRLSLDT-HUUCEWRRSA-N 1 3 323.506 2.259 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]CCCCC(F)(F)F ZINC001152451693 797190010 /nfs/dbraw/zinc/19/00/10/797190010.db2.gz DMEXZYJZRJQLFT-CYBMUJFWSA-N 1 3 323.403 2.299 20 0 DEADHO CCc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCCCN2CC)cc1 ZINC001152458822 797190477 /nfs/dbraw/zinc/19/04/77/797190477.db2.gz UOXNLKMEUJZFDP-SFHVURJKSA-N 1 3 317.477 2.329 20 0 DEADHO CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001192342267 797367178 /nfs/dbraw/zinc/36/71/78/797367178.db2.gz BTWBWNNFEBGQNP-LZCSOBMZSA-N 1 3 307.482 2.360 20 0 DEADHO CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001192342267 797367185 /nfs/dbraw/zinc/36/71/85/797367185.db2.gz BTWBWNNFEBGQNP-LZCSOBMZSA-N 1 3 307.482 2.360 20 0 DEADHO CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001192342699 797367310 /nfs/dbraw/zinc/36/73/10/797367310.db2.gz KBQUFKCKDWIOJH-DOTOQJQBSA-N 1 3 309.498 2.440 20 0 DEADHO CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001192342699 797367320 /nfs/dbraw/zinc/36/73/20/797367320.db2.gz KBQUFKCKDWIOJH-DOTOQJQBSA-N 1 3 309.498 2.440 20 0 DEADHO Cc1cccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001194286507 797709545 /nfs/dbraw/zinc/70/95/45/797709545.db2.gz YYFASAQXJJKXNH-GOSISDBHSA-N 1 3 317.477 2.368 20 0 DEADHO Cc1cccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001194286507 797709551 /nfs/dbraw/zinc/70/95/51/797709551.db2.gz YYFASAQXJJKXNH-GOSISDBHSA-N 1 3 317.477 2.368 20 0 DEADHO CC[N@H+](CC1CCCC1)[C@H](C)CNC(=O)CN1CCC[C@@H]1C ZINC001155227141 797712893 /nfs/dbraw/zinc/71/28/93/797712893.db2.gz VNTXUXOFUJYJJW-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)CN1CCC[C@@H]1C ZINC001155227141 797712897 /nfs/dbraw/zinc/71/28/97/797712897.db2.gz VNTXUXOFUJYJJW-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]([NH2+]CCCNC(=O)[C@H]1CCCN1C)c1ccccc1F ZINC001155802281 797852088 /nfs/dbraw/zinc/85/20/88/797852088.db2.gz JSFOHTLYIFKXDR-XJKSGUPXSA-N 1 3 307.413 2.077 20 0 DEADHO Cc1nccn1CCNc1cc(OC2CC[NH+](C)CC2)ccn1 ZINC001156009633 797903860 /nfs/dbraw/zinc/90/38/60/797903860.db2.gz PUOIJCHBXWWPHW-UHFFFAOYSA-N 1 3 315.421 2.172 20 0 DEADHO CCN(Cc1cccc(F)c1)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001156890854 798102890 /nfs/dbraw/zinc/10/28/90/798102890.db2.gz VAYXBOJQBKKNAR-GDBMZVCRSA-N 1 3 321.440 2.104 20 0 DEADHO CCN(Cc1cccc(F)c1)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001156890854 798102892 /nfs/dbraw/zinc/10/28/92/798102892.db2.gz VAYXBOJQBKKNAR-GDBMZVCRSA-N 1 3 321.440 2.104 20 0 DEADHO CC[C@@H](C(=O)N1CCCN(CC[C@@H](C)F)CC1)[NH+](CC)CC ZINC001197142007 798147522 /nfs/dbraw/zinc/14/75/22/798147522.db2.gz RSSZFVJXOAVCPC-CVEARBPZSA-N 1 3 315.477 2.389 20 0 DEADHO CCC[NH+]1C[C@H]2CN(c3cc(Cl)nc4c3CCNC4)C[C@@H]2C1 ZINC001157690413 798258920 /nfs/dbraw/zinc/25/89/20/798258920.db2.gz DWUDSKFLYNMRRC-STQMWFEESA-N 1 3 320.868 2.159 20 0 DEADHO C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]1CCC[C@@H](c2ccccc2)N1 ZINC001157842867 798291376 /nfs/dbraw/zinc/29/13/76/798291376.db2.gz NFWVBFJETPUKNG-UBDQQSCGSA-N 1 3 315.461 2.456 20 0 DEADHO CC(C)N(C)CC(=O)NCC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001152439448 798318660 /nfs/dbraw/zinc/31/86/60/798318660.db2.gz MROHXJZYABBCAP-UHFFFAOYSA-N 1 3 315.820 2.025 20 0 DEADHO CC1(C)C[C@H](Nc2cc3c(nn2)CCNC3)C[C@@](C)(C[NH3+])C1 ZINC001158263340 798370290 /nfs/dbraw/zinc/37/02/90/798370290.db2.gz BNYOGXDVQNXOBM-SUMWQHHRSA-N 1 3 303.454 2.078 20 0 DEADHO CC1(C)C[C@@H](Nc2ncc3c(n2)CCNC3)C[C@@](C)(C[NH3+])C1 ZINC001158269549 798371181 /nfs/dbraw/zinc/37/11/81/798371181.db2.gz SCAOPKKNMFBSKV-CXAGYDPISA-N 1 3 303.454 2.078 20 0 DEADHO Cc1cnc(N(c2ccncc2F)C2CC[NH2+]CC2)c(CN)c1 ZINC001158342883 798387619 /nfs/dbraw/zinc/38/76/19/798387619.db2.gz CHOYSXDNEOUYKV-UHFFFAOYSA-N 1 3 315.396 2.273 20 0 DEADHO CCC[NH2+][C@H](CNC(=O)[C@@H](CC)N(C)C)c1ccccc1OC ZINC001198776643 798394418 /nfs/dbraw/zinc/39/44/18/798394418.db2.gz RVNGHWKNKHPJEU-HZPDHXFCSA-N 1 3 321.465 2.192 20 0 DEADHO CC[C@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001158533639 798423559 /nfs/dbraw/zinc/42/35/59/798423559.db2.gz CNIRPKCOPPTBPY-GOEBONIOSA-N 1 3 306.454 2.311 20 0 DEADHO CC[C@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001158533639 798423565 /nfs/dbraw/zinc/42/35/65/798423565.db2.gz CNIRPKCOPPTBPY-GOEBONIOSA-N 1 3 306.454 2.311 20 0 DEADHO COc1cnc(N(C2CC[NH2+]CC2)C2CCN(C)CC2)c(C)c1 ZINC001158580361 798433169 /nfs/dbraw/zinc/43/31/69/798433169.db2.gz FVFWZRLTTDCADG-UHFFFAOYSA-N 1 3 318.465 2.051 20 0 DEADHO COc1cc(C)cc(N(C2CC[NH2+]CC2)C2CCN(C)CC2)n1 ZINC001158580359 798433443 /nfs/dbraw/zinc/43/34/43/798433443.db2.gz FRKJSKCQTQLRRW-UHFFFAOYSA-N 1 3 318.465 2.051 20 0 DEADHO CC(C)C[C@H](C)C[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001199787704 798538790 /nfs/dbraw/zinc/53/87/90/798538790.db2.gz COVGBCVVJDQFOX-DOTOQJQBSA-N 1 3 309.498 2.343 20 0 DEADHO CCc1ccccc1C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159854236 798618559 /nfs/dbraw/zinc/61/85/59/798618559.db2.gz NLJNHDPYOWZXOV-UHFFFAOYSA-N 1 3 317.477 2.329 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159925749 798626868 /nfs/dbraw/zinc/62/68/68/798626868.db2.gz TXVFAGXCBNLUEL-KRWDZBQOSA-N 1 3 321.440 2.070 20 0 DEADHO CC1CCC(C[NH2+]CCCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001159923819 798626957 /nfs/dbraw/zinc/62/69/57/798626957.db2.gz IXHQSOWPLQEVLH-VMBOVVBDSA-N 1 3 309.498 2.249 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160420568 798686520 /nfs/dbraw/zinc/68/65/20/798686520.db2.gz HNRUYKRCPICEJQ-KRWDZBQOSA-N 1 3 323.456 2.316 20 0 DEADHO CC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001201053088 798711219 /nfs/dbraw/zinc/71/12/19/798711219.db2.gz KKKFKQVLYKTSKS-FUTAKVPZSA-N 1 3 307.482 2.264 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+][C@H]1CCc2ccc(F)cc21)N(C)C ZINC001160889076 798756183 /nfs/dbraw/zinc/75/61/83/798756183.db2.gz BGDYORUEJXYMGT-DLBZAZTESA-N 1 3 321.440 2.249 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C ZINC001160889500 798756353 /nfs/dbraw/zinc/75/63/53/798756353.db2.gz LGAQVVVVUQVZPM-QGZVFWFLSA-N 1 3 316.449 2.104 20 0 DEADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[C@H](c4ccccc4)N3)C[C@@H]12 ZINC001161413317 798849835 /nfs/dbraw/zinc/84/98/35/798849835.db2.gz PDBFUHPTKQQIIB-ZKXLYKBJSA-N 1 3 313.445 2.066 20 0 DEADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[C@@H](N)c1ccc(Cl)cc1Cl ZINC001161530403 798876350 /nfs/dbraw/zinc/87/63/50/798876350.db2.gz YPOYJUPGARSRKC-DFAYQTQMSA-N 1 3 316.232 2.331 20 0 DEADHO CC/C=C\CC[NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001202495999 798985593 /nfs/dbraw/zinc/98/55/93/798985593.db2.gz MAVYONILVGINAT-YIEVGGLXSA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)(C)C(=O)Nc1ccc(CN)nc1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001162391136 799075876 /nfs/dbraw/zinc/07/58/76/799075876.db2.gz AABARNVWQVHSNI-VXGBXAGGSA-N 1 3 319.453 2.207 20 0 DEADHO CC(C)N1CCN(c2ccc(N[C@@H]3CCC[C@H]([NH3+])C3)cn2)CC1 ZINC001162397367 799077563 /nfs/dbraw/zinc/07/75/63/799077563.db2.gz TZSOUFCHNIDILX-JKSUJKDBSA-N 1 3 317.481 2.294 20 0 DEADHO CC[C@H](C)C[NH2+]C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001202518565 799083801 /nfs/dbraw/zinc/08/38/01/799083801.db2.gz XWTCUEJEFQDZJY-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](C1CC1)N(C)C ZINC001162832684 799185721 /nfs/dbraw/zinc/18/57/21/799185721.db2.gz YOMLMXJLYYCZCG-SFHVURJKSA-N 1 3 317.477 2.007 20 0 DEADHO CN(C)Cc1ccc(NCC[C@H]2C[NH2+]Cc3cccn3C2)nc1 ZINC001163055945 799232674 /nfs/dbraw/zinc/23/26/74/799232674.db2.gz JYRBLXGJMSCNHY-INIZCTEOSA-N 1 3 313.449 2.166 20 0 DEADHO O=C(CC[NH2+]CC1CC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000717152615 799256698 /nfs/dbraw/zinc/25/66/98/799256698.db2.gz TXBJNPPUJZCTGG-GOSISDBHSA-N 1 3 315.461 2.157 20 0 DEADHO CC(C)N(CCC[NH3+])c1cccc2cc([C@@H]3CNCCO3)cn21 ZINC001164126767 799517129 /nfs/dbraw/zinc/51/71/29/799517129.db2.gz JCCXNWVJLPTLHU-KRWDZBQOSA-N 1 3 316.449 2.164 20 0 DEADHO c1cc(N2CC[C@@]3(C2)CCC[NH2+]C3)ncc1CN1CCCC1 ZINC001165241354 799683397 /nfs/dbraw/zinc/68/33/97/799683397.db2.gz DEURQPUXUIUTNO-SFHVURJKSA-N 1 3 300.450 2.257 20 0 DEADHO CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCCN1CCC3)C2 ZINC001095684444 799693949 /nfs/dbraw/zinc/69/39/49/799693949.db2.gz FIAUZGLDBLIXAV-YVSFHVDLSA-N 1 3 319.493 2.382 20 0 DEADHO CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCCN1CCC3)C2 ZINC001095684444 799693956 /nfs/dbraw/zinc/69/39/56/799693956.db2.gz FIAUZGLDBLIXAV-YVSFHVDLSA-N 1 3 319.493 2.382 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCC1(C[NH2+]CCC2CC2)CC1 ZINC001165809370 799777567 /nfs/dbraw/zinc/77/75/67/799777567.db2.gz AXWWXIHYNFSUQI-UHFFFAOYSA-N 1 3 309.498 2.393 20 0 DEADHO Cc1ccc(C)c(C[NH2+]CCCNC(=O)CN2CCC[C@H]2C)c1 ZINC001166627049 799905063 /nfs/dbraw/zinc/90/50/63/799905063.db2.gz OSLVDFJIFJYGRU-QGZVFWFLSA-N 1 3 317.477 2.384 20 0 DEADHO CC(C)C[C@H](C)C[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166765150 799944910 /nfs/dbraw/zinc/94/49/10/799944910.db2.gz UKQKNXBETSWCGR-INIZCTEOSA-N 1 3 311.514 2.496 20 0 DEADHO CC(C)[NH2+][C@@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C12CCC2 ZINC001203425536 800046203 /nfs/dbraw/zinc/04/62/03/800046203.db2.gz CLEGZSDQEMFUQC-CABCVRRESA-N 1 3 309.498 2.390 20 0 DEADHO CC[C@H](C)C[NH2+]C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001203903824 800144215 /nfs/dbraw/zinc/14/42/15/800144215.db2.gz OQWSBCIORVSCIG-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO c1cc2n(c1CN1CC[NH+](CC3CCCCC3)CC1)CCNC2 ZINC001204863631 800268596 /nfs/dbraw/zinc/26/85/96/800268596.db2.gz NBUGLWVPWFGISN-UHFFFAOYSA-N 1 3 316.493 2.289 20 0 DEADHO COc1cc(CN2CCC[C@](F)(C[NH3+])CC2)cc(OC)c1O ZINC001205546250 800374125 /nfs/dbraw/zinc/37/41/25/800374125.db2.gz STFYCNCPPZOIKP-MRXNPFEDSA-N 1 3 312.385 2.062 20 0 DEADHO C[C@H]1CCN(Cc2cnn3ccc(Cl)nc23)CC[C@@H]1C[NH3+] ZINC001205651954 800393996 /nfs/dbraw/zinc/39/39/96/800393996.db2.gz MNBJXQCGWFWHFG-NWDGAFQWSA-N 1 3 307.829 2.190 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC(C[NH2+]Cc2ccsc2)CC1 ZINC001206954395 800640621 /nfs/dbraw/zinc/64/06/21/800640621.db2.gz HSZGIPVNLHHWHK-UHFFFAOYSA-N 1 3 323.506 2.417 20 0 DEADHO COC(=O)CC1CN(CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207290742 800724626 /nfs/dbraw/zinc/72/46/26/800724626.db2.gz FMAPULBLSPBSOZ-UHFFFAOYSA-N 1 3 316.445 2.394 20 0 DEADHO CC(C)(C)OC(=O)N1CCCC12CN(CC1CC[NH2+]CC1)C2 ZINC001207435488 800750764 /nfs/dbraw/zinc/75/07/64/800750764.db2.gz ICADFVCNDAFEGJ-UHFFFAOYSA-N 1 3 309.454 2.071 20 0 DEADHO C[NH+]1CCC(C)(CN2CCCN(C(=O)c3ccco3)CC2)CC1 ZINC001208110389 800914310 /nfs/dbraw/zinc/91/43/10/800914310.db2.gz ZEUMEJPLQGUEKG-UHFFFAOYSA-N 1 3 319.449 2.159 20 0 DEADHO C[C@@H]1CN(C[C@H]2CCC[N@H+](C)C2)CCC[C@]1(O)C(F)(F)F ZINC001208608154 801031878 /nfs/dbraw/zinc/03/18/78/801031878.db2.gz QKFPAHPBUNFUPS-HZSPNIEDSA-N 1 3 308.388 2.354 20 0 DEADHO C[C@@H]1CN(C[C@H]2CCC[N@@H+](C)C2)CCC[C@]1(O)C(F)(F)F ZINC001208608154 801031882 /nfs/dbraw/zinc/03/18/82/801031882.db2.gz QKFPAHPBUNFUPS-HZSPNIEDSA-N 1 3 308.388 2.354 20 0 DEADHO CN1CCC[C@@H](C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)C1 ZINC001208618007 801037199 /nfs/dbraw/zinc/03/71/99/801037199.db2.gz QVSAQSDOIUYSNJ-TZMCWYRMSA-N 1 3 308.388 2.354 20 0 DEADHO CCCN1C[C@@H]2C[NH+](C[C@H]3CC[C@H](C(=O)OC)CC3)C[C@H]2C1 ZINC001208631898 801039830 /nfs/dbraw/zinc/03/98/30/801039830.db2.gz FOPDFVQBPMKUCA-QBPKDAKJSA-N 1 3 308.466 2.239 20 0 DEADHO COC(=O)[C@@H]1CCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208932055 801097453 /nfs/dbraw/zinc/09/74/53/801097453.db2.gz NRLNWPODAIQCRZ-ZWKOTPCHSA-N 1 3 316.445 2.394 20 0 DEADHO COC(=O)[C@@H]1CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208932055 801097458 /nfs/dbraw/zinc/09/74/58/801097458.db2.gz NRLNWPODAIQCRZ-ZWKOTPCHSA-N 1 3 316.445 2.394 20 0 DEADHO c1ccc(C[N@H+]2CC[C@@H](CN3CC[C@H]4COC[C@@H]4C3)C2)cc1 ZINC001208952219 801099724 /nfs/dbraw/zinc/09/97/24/801099724.db2.gz HYGIOBNQPADZKE-QYZOEREBSA-N 1 3 300.446 2.477 20 0 DEADHO c1ccc(C[N@@H+]2CC[C@@H](CN3CC[C@H]4COC[C@@H]4C3)C2)cc1 ZINC001208952219 801099728 /nfs/dbraw/zinc/09/97/28/801099728.db2.gz HYGIOBNQPADZKE-QYZOEREBSA-N 1 3 300.446 2.477 20 0 DEADHO CCC(CC)C[NH2+][C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001209642401 801242939 /nfs/dbraw/zinc/24/29/39/801242939.db2.gz MZUYJVAAKMCNBU-RDJZCZTQSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](F)C[NH2+][C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209661652 801249262 /nfs/dbraw/zinc/24/92/62/801249262.db2.gz YQMDNHAUPUKUTL-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001209838808 801293628 /nfs/dbraw/zinc/29/36/28/801293628.db2.gz ZLYGKBOKOIQUGY-LYLYKKCESA-N 1 3 324.428 2.246 20 0 DEADHO CC[C@H](F)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001230284674 801381261 /nfs/dbraw/zinc/38/12/61/801381261.db2.gz PXPAKCRFLFUCPV-RRFJBIMHSA-N 1 3 301.450 2.092 20 0 DEADHO c1[nH]nc2cnnc(OC3CC[NH+](CCc4ccccc4)CC3)c12 ZINC001230901600 801526627 /nfs/dbraw/zinc/52/66/27/801526627.db2.gz RSLKAPSMNDDACP-UHFFFAOYSA-N 1 3 323.400 2.439 20 0 DEADHO CC[C@H](F)CN[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211240768 801536353 /nfs/dbraw/zinc/53/63/53/801536353.db2.gz PMHFPDPPJRSKFH-JKSUJKDBSA-N 1 3 313.461 2.191 20 0 DEADHO CC/C=C\CC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847392 801765822 /nfs/dbraw/zinc/76/58/22/801765822.db2.gz DCNUGDHCQZQIER-JTUDCUDASA-N 1 3 307.482 2.264 20 0 DEADHO CCCCCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847499 801766183 /nfs/dbraw/zinc/76/61/83/801766183.db2.gz HKJBWDBIANOAJS-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001214855842 801767337 /nfs/dbraw/zinc/76/73/37/801767337.db2.gz PEMCVRQRWLBCRV-XYPHTWIQSA-N 1 3 309.498 2.199 20 0 DEADHO C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1NCCF ZINC001215228227 801823558 /nfs/dbraw/zinc/82/35/58/801823558.db2.gz GAJAAZMFQZQOSD-GDBMZVCRSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1NCCF ZINC001215228227 801823562 /nfs/dbraw/zinc/82/35/62/801823562.db2.gz GAJAAZMFQZQOSD-GDBMZVCRSA-N 1 3 313.461 2.047 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216851969 802033397 /nfs/dbraw/zinc/03/33/97/802033397.db2.gz MFVRYEHFVFASBT-SJLPKXTDSA-N 1 3 317.477 2.272 20 0 DEADHO CN(Cc1cc(Br)c[nH]c1=O)C1CC[NH+](C)CC1 ZINC001233183197 802041605 /nfs/dbraw/zinc/04/16/05/802041605.db2.gz XGMGHROZTMMMDT-UHFFFAOYSA-N 1 3 314.227 2.076 20 0 DEADHO c1ccc2c(c1)CNC[C@H]2OC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001217941821 802121106 /nfs/dbraw/zinc/12/11/06/802121106.db2.gz TVKAYRKFTAGJCV-NVXWUHKLSA-N 1 3 302.418 2.006 20 0 DEADHO N[C@@H](CCCC[NH3+])C(=O)Nc1ncc(-c2ccccc2)s1 ZINC001218525161 802198467 /nfs/dbraw/zinc/19/84/67/802198467.db2.gz VFHMMBGMVVYLMU-LBPRGKRZSA-N 1 3 304.419 2.205 20 0 DEADHO [NH3+]C1(c2ccc(NC(=O)C[C@H]3CCNC[C@@H]3F)cc2)CCC1 ZINC001218972439 802267479 /nfs/dbraw/zinc/26/74/79/802267479.db2.gz OMMDHNDBOCPMQM-DOMZBBRYSA-N 1 3 305.397 2.301 20 0 DEADHO O=C(N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1)c1cc2c(s1)CNCC2 ZINC001220168088 802420810 /nfs/dbraw/zinc/42/08/10/802420810.db2.gz XRIMPKMZRKXIGO-SUMWQHHRSA-N 1 3 319.474 2.046 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)NCC(C)(C)CC(F)(F)F ZINC001221218637 802538449 /nfs/dbraw/zinc/53/84/49/802538449.db2.gz BJEITJZDLXVLEI-NSHDSACASA-N 1 3 311.392 2.140 20 0 DEADHO [NH3+]CCCCNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001221348171 802558145 /nfs/dbraw/zinc/55/81/45/802558145.db2.gz VLSHDWILZDVMFI-HNNXBMFYSA-N 1 3 323.868 2.407 20 0 DEADHO CC(C)N(C(=O)[C@@](C)(N)Cc1ccc(F)cc1)C(C)(C)C[NH3+] ZINC001221394603 802565172 /nfs/dbraw/zinc/56/51/72/802565172.db2.gz DFNMRGHXZLZJCU-KRWDZBQOSA-N 1 3 309.429 2.060 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789313 802615964 /nfs/dbraw/zinc/61/59/64/802615964.db2.gz PDGUGLCEWLUIQC-CGTJXYLNSA-N 1 3 315.461 2.232 20 0 DEADHO Cc1c(CN2CCNC3(CC[NH2+]CC3)C2)[nH]c2ccc(F)cc12 ZINC001222090493 802640253 /nfs/dbraw/zinc/64/02/53/802640253.db2.gz DYOMGDYGFPZVRF-UHFFFAOYSA-N 1 3 316.424 2.143 20 0 DEADHO Fc1ccc2occ(CN3CCNC4(CC[NH2+]CC4)C3)c2c1 ZINC001222095407 802642268 /nfs/dbraw/zinc/64/22/68/802642268.db2.gz RUDSENWWQHERMG-UHFFFAOYSA-N 1 3 303.381 2.099 20 0 DEADHO CCc1cccc(C)c1CN1CC[NH2+]C[C@@]2(CCCCN2)C1 ZINC001222690912 802730038 /nfs/dbraw/zinc/73/00/38/802730038.db2.gz ABTBPZRPYCBODY-IBGZPJMESA-N 1 3 301.478 2.475 20 0 DEADHO CCCC[NH+]1CCC(CNC(=O)C(C)(C)N2CCCC2)CC1 ZINC001224023972 802830367 /nfs/dbraw/zinc/83/03/67/802830367.db2.gz GIBVTNKWBBVJCB-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO C[NH+](C)CCC(=O)NCC1CCN(Cc2cccc(F)c2)CC1 ZINC001224337200 802858775 /nfs/dbraw/zinc/85/87/75/802858775.db2.gz GEWMBAHJDZLYMC-UHFFFAOYSA-N 1 3 321.440 2.106 20 0 DEADHO CC[C@H](F)CN1CCC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001224402234 802864604 /nfs/dbraw/zinc/86/46/04/802864604.db2.gz AQNULCPTSULFEB-JKSUJKDBSA-N 1 3 315.477 2.149 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCC1CC[NH+](CC2CCCC2)CC1 ZINC001224535720 802879988 /nfs/dbraw/zinc/87/99/88/802879988.db2.gz JDJSXQUJYVNTQL-MRXNPFEDSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC2CC[NH+](CC3CCCC3)CC2)C1 ZINC001224559339 802881838 /nfs/dbraw/zinc/88/18/38/802881838.db2.gz MJKDHXQQDJDVOD-INIZCTEOSA-N 1 3 321.509 2.347 20 0 DEADHO CN(C)[C@@H](C(=O)NC1CC[NH+](CCC(C)(C)C)CC1)C1CC1 ZINC001227818609 803283724 /nfs/dbraw/zinc/28/37/24/803283724.db2.gz XNFOBGNVQWLGSC-MRXNPFEDSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CCC[NH+]1CCC(NC(=O)CN(C)C2CCC2)CC1 ZINC001227833121 803286443 /nfs/dbraw/zinc/28/64/43/803286443.db2.gz RUCOXMSRURGABK-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)NC1CC[NH+](CCCC2CCC2)CC1)N(C)C ZINC001227986943 803302501 /nfs/dbraw/zinc/30/25/01/803302501.db2.gz PSUDCOLCQNVIHN-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)NC1CC[NH+](CCC2CCCC2)CC1)N(C)C ZINC001227987302 803302834 /nfs/dbraw/zinc/30/28/34/803302834.db2.gz WOLIFEHRRONFJA-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CCN(C)C(C)(C)C(=O)NC1CC[NH+](CCCCCF)CC1 ZINC001228066600 803314614 /nfs/dbraw/zinc/31/46/14/803314614.db2.gz XGYCQKNODKYNPQ-UHFFFAOYSA-N 1 3 315.477 2.437 20 0 DEADHO CC[C@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001417762077 1167195474 /nfs/dbraw/zinc/19/54/74/1167195474.db2.gz LQMNAHURDVVEPX-CAOSSQGBSA-N 1 3 313.461 2.092 20 0 DEADHO COC(=O)c1[nH]c2ccccc2c1CNCC1=CC[N@H+](C)CC1 ZINC001334357998 1150282810 /nfs/dbraw/zinc/28/28/10/1150282810.db2.gz HOTGMUVLJGVSAY-UHFFFAOYSA-N 1 3 313.401 2.306 20 0 DEADHO COC(=O)c1[nH]c2ccccc2c1CNCC1=CC[N@@H+](C)CC1 ZINC001334357998 1150282823 /nfs/dbraw/zinc/28/28/23/1150282823.db2.gz HOTGMUVLJGVSAY-UHFFFAOYSA-N 1 3 313.401 2.306 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001370060672 1149372109 /nfs/dbraw/zinc/37/21/09/1149372109.db2.gz KKNXWTQHVAPTLD-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001370060672 1149372116 /nfs/dbraw/zinc/37/21/16/1149372116.db2.gz KKNXWTQHVAPTLD-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@H]1CC[N@@H+](CCC2CC2)C1)N(C)C ZINC001418890316 1168044360 /nfs/dbraw/zinc/04/43/60/1168044360.db2.gz LQZCLNWZDNQKCV-IRXDYDNUSA-N 1 3 309.498 2.201 20 0 DEADHO C[N@H+](CCC1CC1)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001418946912 1168087330 /nfs/dbraw/zinc/08/73/30/1168087330.db2.gz AEFGRFXILYEYIM-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO C[N@@H+](CCC1CC1)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001418946912 1168087333 /nfs/dbraw/zinc/08/73/33/1168087333.db2.gz AEFGRFXILYEYIM-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1CCC1)C1CC1 ZINC001370182803 1149417510 /nfs/dbraw/zinc/41/75/10/1149417510.db2.gz YFXDXQKUBFTXLA-DLBZAZTESA-N 1 3 307.482 2.145 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H](C[N@H+](C)CC[C@@H](C)F)C1 ZINC001419353161 1168417627 /nfs/dbraw/zinc/41/76/27/1168417627.db2.gz YKPGEQLWVOODIQ-HZPDHXFCSA-N 1 3 315.477 2.247 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H](C[N@@H+](C)CC[C@@H](C)F)C1 ZINC001419353161 1168417633 /nfs/dbraw/zinc/41/76/33/1168417633.db2.gz YKPGEQLWVOODIQ-HZPDHXFCSA-N 1 3 315.477 2.247 20 0 DEADHO CN(C/C=C\Cl)C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001370301670 1149503181 /nfs/dbraw/zinc/50/31/81/1149503181.db2.gz HHVWSBDUOFITEP-AJHXJQRKSA-N 1 3 315.889 2.251 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]C[C@H](C)NC(=O)CN(C)C(C)C ZINC001420521133 1169707701 /nfs/dbraw/zinc/70/77/01/1169707701.db2.gz YBJDTVDKMJOPNB-AWEZNQCLSA-N 1 3 309.429 2.069 20 0 DEADHO CC(C)CCC[N@@H+]1CC[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001420543793 1169755316 /nfs/dbraw/zinc/75/53/16/1169755316.db2.gz LSEYGVPBQMOVMD-IRXDYDNUSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)CCC[N@H+]1CC[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001420543793 1169755331 /nfs/dbraw/zinc/75/53/31/1169755331.db2.gz LSEYGVPBQMOVMD-IRXDYDNUSA-N 1 3 309.498 2.203 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001368500019 1148469143 /nfs/dbraw/zinc/46/91/43/1148469143.db2.gz HCOAMWHFIMQTKN-UAGQMJEPSA-N 1 3 321.440 2.150 20 0 DEADHO C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(-c2nnn[n-]2)cc1F ZINC001603662277 1070029785 /nfs/dbraw/zinc/02/97/85/1070029785.db2.gz JNJDKQQNVCVHOV-WCQYABFASA-N 1 3 318.400 2.189 20 0 DEADHO C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(-c2nn[n-]n2)cc1F ZINC001603662277 1070029805 /nfs/dbraw/zinc/02/98/05/1070029805.db2.gz JNJDKQQNVCVHOV-WCQYABFASA-N 1 3 318.400 2.189 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)CCC[N@H+](C)CC2CCCC2)C1 ZINC001368554512 1148492388 /nfs/dbraw/zinc/49/23/88/1148492388.db2.gz CPXVGTCJRKWXLJ-INIZCTEOSA-N 1 3 309.498 2.299 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)CCC[N@@H+](C)CC2CCCC2)C1 ZINC001368554512 1148492391 /nfs/dbraw/zinc/49/23/91/1148492391.db2.gz CPXVGTCJRKWXLJ-INIZCTEOSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)(C(=O)N1CCC[C@H]1C[NH2+]CCCF)N1CCCCC1 ZINC001499897288 1058358497 /nfs/dbraw/zinc/35/84/97/1058358497.db2.gz WDHUHJSDYCYLJA-HNNXBMFYSA-N 1 3 313.461 2.191 20 0 DEADHO Cc1ccc(CCNCC(=O)NCC[NH+]2CCCCCC2)cc1 ZINC001462290373 1058797533 /nfs/dbraw/zinc/79/75/33/1058797533.db2.gz GKNGEOZVGBGWDJ-UHFFFAOYSA-N 1 3 317.477 2.119 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](CC[NH2+]CCC(F)(F)F)C1 ZINC001501640861 1059598564 /nfs/dbraw/zinc/59/85/64/1059598564.db2.gz LFKQGMHXDXZYIU-CYBMUJFWSA-N 1 3 323.403 2.109 20 0 DEADHO Cc1ccncc1C[N@@H+](C)CCCN(C)C(=O)CN(C)C(C)C ZINC001502401708 1060110403 /nfs/dbraw/zinc/11/04/03/1060110403.db2.gz QWAQVJRRNWDAQJ-UHFFFAOYSA-N 1 3 320.481 2.011 20 0 DEADHO Cc1ccncc1C[N@H+](C)CCCN(C)C(=O)CN(C)C(C)C ZINC001502401708 1060110410 /nfs/dbraw/zinc/11/04/10/1060110410.db2.gz QWAQVJRRNWDAQJ-UHFFFAOYSA-N 1 3 320.481 2.011 20 0 DEADHO CC/C=C\CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001502771763 1060287397 /nfs/dbraw/zinc/28/73/97/1060287397.db2.gz AQSKXIZXABGHHQ-KJPDOMRESA-N 1 3 307.482 2.408 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)c1cccc(CC[NH+](C)C)c1 ZINC001472245045 1060456999 /nfs/dbraw/zinc/45/69/99/1060456999.db2.gz DUEJMERLSXZROR-QGZVFWFLSA-N 1 3 303.450 2.005 20 0 DEADHO CC[N@H+](CC[C@@H](C)F)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001505399527 1060530872 /nfs/dbraw/zinc/53/08/72/1060530872.db2.gz QEYLHDHUUWPZSA-CQSZACIVSA-N 1 3 324.444 2.261 20 0 DEADHO CC[N@@H+](CC[C@@H](C)F)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001505399527 1060530885 /nfs/dbraw/zinc/53/08/85/1060530885.db2.gz QEYLHDHUUWPZSA-CQSZACIVSA-N 1 3 324.444 2.261 20 0 DEADHO CC[C@H](C)C[N@H+](C)C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001505434437 1060586973 /nfs/dbraw/zinc/58/69/73/1060586973.db2.gz QXZOZZQHHRBDDD-RDJZCZTQSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001505434437 1060586987 /nfs/dbraw/zinc/58/69/87/1060586987.db2.gz QXZOZZQHHRBDDD-RDJZCZTQSA-N 1 3 309.498 2.440 20 0 DEADHO Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001506002082 1061248345 /nfs/dbraw/zinc/24/83/45/1061248345.db2.gz NJTNHPVIMGZKJJ-IAGOWNOFSA-N 1 3 317.477 2.273 20 0 DEADHO Cc1ccc(C[N@H+](C)[C@H](C)CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001506002082 1061248367 /nfs/dbraw/zinc/24/83/67/1061248367.db2.gz NJTNHPVIMGZKJJ-IAGOWNOFSA-N 1 3 317.477 2.273 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)CC1CCC1 ZINC001506014492 1061273217 /nfs/dbraw/zinc/27/32/17/1061273217.db2.gz BPYXDQAUEXDKQN-DOTOQJQBSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)CC1CCC1 ZINC001506014492 1061273235 /nfs/dbraw/zinc/27/32/35/1061273235.db2.gz BPYXDQAUEXDKQN-DOTOQJQBSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC2)C1)N1CCCCCC1 ZINC001479328752 1061393973 /nfs/dbraw/zinc/39/39/73/1061393973.db2.gz QISQEIUBOIIHHL-BHYGNILZSA-N 1 3 307.482 2.145 20 0 DEADHO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CCN(C)[C@H]1C ZINC001479374945 1061422598 /nfs/dbraw/zinc/42/25/98/1061422598.db2.gz FKBXSPBZXSXPCQ-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO CC(C)[C@H](C(=O)NCCC[N@H+](C)Cc1cccc(F)c1)N(C)C ZINC001479809661 1061818569 /nfs/dbraw/zinc/81/85/69/1061818569.db2.gz JINJBXLBGNLTME-QGZVFWFLSA-N 1 3 323.456 2.350 20 0 DEADHO CC(C)[C@H](C(=O)NCCC[N@@H+](C)Cc1cccc(F)c1)N(C)C ZINC001479809661 1061818596 /nfs/dbraw/zinc/81/85/96/1061818596.db2.gz JINJBXLBGNLTME-QGZVFWFLSA-N 1 3 323.456 2.350 20 0 DEADHO CCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N2CCCC2)C1 ZINC001479973001 1062133232 /nfs/dbraw/zinc/13/32/32/1062133232.db2.gz RYYFBKQIJPONRG-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCCC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N2CCCC2)C1 ZINC001479973001 1062133245 /nfs/dbraw/zinc/13/32/45/1062133245.db2.gz RYYFBKQIJPONRG-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001480171793 1062424424 /nfs/dbraw/zinc/42/44/24/1062424424.db2.gz GBBREFSGOFTNAH-FDYHWXHSSA-N 1 3 321.387 2.048 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CCC(C)(C)C)C2)C1 ZINC001506897603 1062486612 /nfs/dbraw/zinc/48/66/12/1062486612.db2.gz RHSJTVKRNMKZGE-BZUAXINKSA-N 1 3 309.498 2.249 20 0 DEADHO CC(C)CC[NH2+]C[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001480295936 1062600120 /nfs/dbraw/zinc/60/01/20/1062600120.db2.gz MXGMFSSHKADKLP-SJORKVTESA-N 1 3 309.498 2.203 20 0 DEADHO CN(C(=O)C(C)(C)N1CCCC1)[C@H](C[NH2+]CC1CCC1)C1CC1 ZINC001507020190 1062683948 /nfs/dbraw/zinc/68/39/48/1062683948.db2.gz XXMGWVNCQSKDLL-QGZVFWFLSA-N 1 3 321.509 2.488 20 0 DEADHO C[NH+](C)Cc1ccc(C(=O)N2CCCC[C@@H]2CNCCF)cc1 ZINC001480363534 1062717832 /nfs/dbraw/zinc/71/78/32/1062717832.db2.gz WGASYJOCXGVBIG-QGZVFWFLSA-N 1 3 321.440 2.302 20 0 DEADHO C[C@@H](CN(C)C(=O)CC[N@H+](C)C1CCCCC1)NCCF ZINC001507106569 1062842658 /nfs/dbraw/zinc/84/26/58/1062842658.db2.gz DIPCLLZJCXGXRF-AWEZNQCLSA-N 1 3 301.450 2.047 20 0 DEADHO C[C@@H](CN(C)C(=O)CC[N@@H+](C)C1CCCCC1)NCCF ZINC001507106569 1062842681 /nfs/dbraw/zinc/84/26/81/1062842681.db2.gz DIPCLLZJCXGXRF-AWEZNQCLSA-N 1 3 301.450 2.047 20 0 DEADHO CC(C)[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]C/C=C\Cl ZINC001369196223 1148867152 /nfs/dbraw/zinc/86/71/52/1148867152.db2.gz UIFNUZZDSGBKTM-LBIZBFCRSA-N 1 3 315.889 2.344 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCCC1CCCC1 ZINC001480536151 1062998302 /nfs/dbraw/zinc/99/83/02/1062998302.db2.gz COEPYBGSWROMFQ-HZPDHXFCSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@H](CNC(=O)[C@H](C)N1CCCCCC1)[NH2+]CCC(F)(F)F ZINC001480548621 1063017151 /nfs/dbraw/zinc/01/71/51/1063017151.db2.gz MOGREUVJCOCLPA-OLZOCXBDSA-N 1 3 323.403 2.298 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)CNC(=O)CN(C)C(C)C ZINC001480597345 1063091307 /nfs/dbraw/zinc/09/13/07/1063091307.db2.gz PJXAGFXTWIPTSO-JKSUJKDBSA-N 1 3 305.466 2.491 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001480624945 1063120277 /nfs/dbraw/zinc/12/02/77/1063120277.db2.gz ZRARSEYDSNINRH-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001480635085 1063130910 /nfs/dbraw/zinc/13/09/10/1063130910.db2.gz BYTUPWDBKBWKKT-IAGOWNOFSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)=CCN(CCNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001493385804 1063761304 /nfs/dbraw/zinc/76/13/04/1063761304.db2.gz NNSUXGKWLRZXNP-UHFFFAOYSA-N 1 3 305.466 2.162 20 0 DEADHO CC(C)C[C@H](C)C[NH+]1CC(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001494558477 1064315539 /nfs/dbraw/zinc/31/55/39/1064315539.db2.gz DNHLAOVEMOJBMU-HNNXBMFYSA-N 1 3 309.498 2.201 20 0 DEADHO CCCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(CC=C(C)C)C1 ZINC001567692882 1064348808 /nfs/dbraw/zinc/34/88/08/1064348808.db2.gz HPAQBTAORQNOOH-DLBZAZTESA-N 1 3 307.482 2.217 20 0 DEADHO CCCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CC=C(C)C)C1 ZINC001567692882 1064348821 /nfs/dbraw/zinc/34/88/21/1064348821.db2.gz HPAQBTAORQNOOH-DLBZAZTESA-N 1 3 307.482 2.217 20 0 DEADHO CC/C=C\CC[NH2+][C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001567757088 1064406089 /nfs/dbraw/zinc/40/60/89/1064406089.db2.gz AYFLPLWVZLEFFC-FEFZKZJHSA-N 1 3 307.482 2.265 20 0 DEADHO CCCN(C)CC(=O)N1CCC(CC[NH2+]C/C=C\Cl)CC1 ZINC001568098845 1064646756 /nfs/dbraw/zinc/64/67/56/1064646756.db2.gz ONMLUEGOYQEUFO-YWEYNIOJSA-N 1 3 315.889 2.299 20 0 DEADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@@H]1CNCCF ZINC001495568205 1064986514 /nfs/dbraw/zinc/98/65/14/1064986514.db2.gz AJXVPUWERQTBTN-OAHLLOKOSA-N 1 3 313.461 2.190 20 0 DEADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@@H]1CNCCF ZINC001495568205 1064986531 /nfs/dbraw/zinc/98/65/31/1064986531.db2.gz AJXVPUWERQTBTN-OAHLLOKOSA-N 1 3 313.461 2.190 20 0 DEADHO Cc1ccccc1C[NH2+]C/C=C\CNC(=O)CN(C)C1CCC1 ZINC001568863271 1065164219 /nfs/dbraw/zinc/16/42/19/1065164219.db2.gz DXGVQLKKUQSOSV-WAYWQWQTSA-N 1 3 315.461 2.241 20 0 DEADHO CC(C)[C@H](C(=O)NC/C=C\CNC/C=C/Cl)[NH+]1CCCC1 ZINC001568972291 1065221419 /nfs/dbraw/zinc/22/14/19/1065221419.db2.gz ZDZWKUWNEKGZFI-CHHSARPISA-N 1 3 313.873 2.121 20 0 DEADHO C[NH+](C)CCNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028221013 1078181159 /nfs/dbraw/zinc/18/11/59/1078181159.db2.gz RYEXPUNFNUUDEA-HNNXBMFYSA-N 1 3 323.868 2.230 20 0 DEADHO CC(C)C[C@H](C[NH2+]CC1CCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001496290543 1065387826 /nfs/dbraw/zinc/38/78/26/1065387826.db2.gz XPTPIULZNAIKEL-NVXWUHKLSA-N 1 3 309.498 2.249 20 0 DEADHO CC(C)C[C@@H](C[NH2+]CC1CCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001496290545 1065388428 /nfs/dbraw/zinc/38/84/28/1065388428.db2.gz XPTPIULZNAIKEL-RDJZCZTQSA-N 1 3 309.498 2.249 20 0 DEADHO Cc1ccc(C[NH2+]CCCN(C)C(=O)CN2CCCC2)cc1 ZINC001569267470 1065403038 /nfs/dbraw/zinc/40/30/38/1065403038.db2.gz WKNPTPYYHGUDGE-UHFFFAOYSA-N 1 3 303.450 2.029 20 0 DEADHO CC(C)[C@H](C(=O)NC/C=C/CNCc1ccc(F)cc1)[NH+](C)C ZINC001497671523 1066224089 /nfs/dbraw/zinc/22/40/89/1066224089.db2.gz MHWDYNGORVPACZ-FUTAKVPZSA-N 1 3 321.440 2.174 20 0 DEADHO CC(C)(C)OC(=O)N1CC[C@@H]2CN(CC(C)(C)C[NH3+])CC[C@H]21 ZINC001575315055 1066262073 /nfs/dbraw/zinc/26/20/73/1066262073.db2.gz FZQBQJLXGZABGR-ZIAGYGMSSA-N 1 3 311.470 2.303 20 0 DEADHO CC(C)(N)C[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001575354308 1066274425 /nfs/dbraw/zinc/27/44/25/1066274425.db2.gz MLMUSAZWXUWTRP-IHRRRGAJSA-N 1 3 311.470 2.349 20 0 DEADHO CC(C)(N)C[N@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001575354308 1066274431 /nfs/dbraw/zinc/27/44/31/1066274431.db2.gz MLMUSAZWXUWTRP-IHRRRGAJSA-N 1 3 311.470 2.349 20 0 DEADHO C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC[C@H]1C[NH2+]C[C@H]1O ZINC001576049683 1066483450 /nfs/dbraw/zinc/48/34/50/1066483450.db2.gz IULOVYPNYSKJRU-CWFSZBLJSA-N 1 3 310.441 2.455 20 0 DEADHO C[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])CC1)[C@@H](c1ccccc1)N(C)C ZINC001576220712 1066524994 /nfs/dbraw/zinc/52/49/94/1066524994.db2.gz NLSAXYYUSGAXBS-LLLHUVSDSA-N 1 3 303.450 2.312 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)c1cccc(C)c1 ZINC001498167996 1066538352 /nfs/dbraw/zinc/53/83/52/1066538352.db2.gz COBREYKKKIKPCN-JKSUJKDBSA-N 1 3 305.466 2.492 20 0 DEADHO CC1(C)CC[C@@H](CNC(=O)N2CCN(C3CCCC3)CC2)[NH2+]C1 ZINC001576416655 1066600367 /nfs/dbraw/zinc/60/03/67/1066600367.db2.gz HJXPXKSHKKEBNY-HNNXBMFYSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC001576798060 1066691585 /nfs/dbraw/zinc/69/15/85/1066691585.db2.gz LMOWUYCQAFXVHU-YQFWSFKMSA-N 1 3 322.497 2.018 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC001576798057 1066692213 /nfs/dbraw/zinc/69/22/13/1066692213.db2.gz LMOWUYCQAFXVHU-MUIFIZLQSA-N 1 3 322.497 2.018 20 0 DEADHO CC[NH+](CC)CC[C@@H](C)NC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC001650354154 1079554806 /nfs/dbraw/zinc/55/48/06/1079554806.db2.gz COGQIKFKPBIBAE-CABCVRRESA-N 1 3 312.502 2.279 20 0 DEADHO CN(CCC[NH2+]Cc1cccc(F)c1)C(=O)CN(C)C1CCC1 ZINC001498559392 1066778982 /nfs/dbraw/zinc/77/89/82/1066778982.db2.gz GYYFFUKQRBLQEW-UHFFFAOYSA-N 1 3 321.440 2.248 20 0 DEADHO CCC[C@@H]1CN(C[C@H]([NH3+])CCOC)CCN1Cc1ccccc1 ZINC001577381217 1066828140 /nfs/dbraw/zinc/82/81/40/1066828140.db2.gz QUJRNOVTNBKMEJ-RTBURBONSA-N 1 3 319.493 2.337 20 0 DEADHO C[NH2+]CC[C@@H]1CCCCN1CCC(=O)N1CCc2ccccc21 ZINC001578676674 1067148231 /nfs/dbraw/zinc/14/82/31/1067148231.db2.gz KGXLIVVJAGOMFI-KRWDZBQOSA-N 1 3 315.461 2.430 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc2c(c1)CCC2)N(C)C ZINC001266988669 1078483064 /nfs/dbraw/zinc/48/30/64/1078483064.db2.gz NJGLMZHVDJYHTL-SFHVURJKSA-N 1 3 317.477 2.064 20 0 DEADHO CCc1ccccc1C[NH2+]CCN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001267005282 1078494508 /nfs/dbraw/zinc/49/45/08/1078494508.db2.gz ZZGDPWXSSUDADJ-SFHVURJKSA-N 1 3 319.493 2.383 20 0 DEADHO CCc1ccccc1C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001267005281 1078494407 /nfs/dbraw/zinc/49/44/07/1078494407.db2.gz ZZGDPWXSSUDADJ-GOSISDBHSA-N 1 3 319.493 2.383 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)NCC2(NCc3ccc(Cl)cc3)CC2)C1 ZINC001499448165 1067224129 /nfs/dbraw/zinc/22/41/29/1067224129.db2.gz GLSYJGZUUYYJMB-AWEZNQCLSA-N 1 3 321.852 2.030 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)NCC2(NCc3ccc(Cl)cc3)CC2)C1 ZINC001499448165 1067224136 /nfs/dbraw/zinc/22/41/36/1067224136.db2.gz GLSYJGZUUYYJMB-AWEZNQCLSA-N 1 3 321.852 2.030 20 0 DEADHO C[C@H](CN(C)[C@@H]1CCc2ccc(F)cc21)NC(=O)CC[NH+](C)C ZINC001483380752 1078494920 /nfs/dbraw/zinc/49/49/20/1078494920.db2.gz NADNNNQEDMKLPA-CXAGYDPISA-N 1 3 321.440 2.201 20 0 DEADHO COc1ccccc1C[C@H](C)N(C)CCC1([NH3+])CCOCC1 ZINC001579306603 1067299890 /nfs/dbraw/zinc/29/98/90/1067299890.db2.gz YSSBDVKRWZTWKL-HNNXBMFYSA-N 1 3 306.450 2.456 20 0 DEADHO FC(F)Cn1cc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)cn1 ZINC001580024093 1067473946 /nfs/dbraw/zinc/47/39/46/1067473946.db2.gz PKVGYFMVFTXYPQ-OAHLLOKOSA-N 1 3 312.408 2.360 20 0 DEADHO Fc1ccc(CCNCc2cc(C3C[NH2+]C3)no2)c(F)c1F ZINC001580030408 1067476050 /nfs/dbraw/zinc/47/60/50/1067476050.db2.gz LXWXPZNKCAPERY-UHFFFAOYSA-N 1 3 311.307 2.111 20 0 DEADHO Fc1ccc(OC(F)F)c(CNC[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC001580030476 1067476193 /nfs/dbraw/zinc/47/61/93/1067476193.db2.gz NZCIXSFGMWCUQX-GFCCVEGCSA-N 1 3 316.323 2.038 20 0 DEADHO Fc1cccc(-c2ccc(CN[C@@H]3COC4(C[NH2+]C4)C3)o2)c1F ZINC001580033389 1067476879 /nfs/dbraw/zinc/47/68/79/1067476879.db2.gz KVJISGNGZPKQRX-NSHDSACASA-N 1 3 320.339 2.445 20 0 DEADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C[C@@H](O)c2cccc(F)c2)C1 ZINC001580201128 1067522779 /nfs/dbraw/zinc/52/27/79/1067522779.db2.gz ZDQXVYAWHOWFJG-TVFCKZIOSA-N 1 3 322.424 2.220 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)CCC[NH2+]Cc2ccccc2F)C1 ZINC001483493436 1078567337 /nfs/dbraw/zinc/56/73/37/1078567337.db2.gz YPTRCYAJKGTORP-OAHLLOKOSA-N 1 3 321.440 2.106 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CCCF)C1CC1 ZINC001483593446 1078616900 /nfs/dbraw/zinc/61/69/00/1078616900.db2.gz WTKYAXSRMJTQLP-CVEARBPZSA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCCF)C1CC1 ZINC001483593449 1078616990 /nfs/dbraw/zinc/61/69/90/1078616990.db2.gz WTKYAXSRMJTQLP-JKSUJKDBSA-N 1 3 313.461 2.093 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001571198036 1068192450 /nfs/dbraw/zinc/19/24/50/1068192450.db2.gz UVQYFFZFGMJNPE-LRMMOLSCSA-N 1 3 313.873 2.096 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)CC(C)(C)C ZINC001496153649 1078748038 /nfs/dbraw/zinc/74/80/38/1078748038.db2.gz JCLTWGNRFHBCKS-ZIAGYGMSSA-N 1 3 303.466 2.149 20 0 DEADHO CC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001267306058 1078753261 /nfs/dbraw/zinc/75/32/61/1078753261.db2.gz QQCAMZNWJQAJML-FOSCPCJNSA-N 1 3 304.438 2.055 20 0 DEADHO CC/C=C\CC[N@H+]1CC[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001267306058 1078753265 /nfs/dbraw/zinc/75/32/65/1078753265.db2.gz QQCAMZNWJQAJML-FOSCPCJNSA-N 1 3 304.438 2.055 20 0 DEADHO CC[N@H+](C)CCC(=O)NCCN(C)[C@@H](C)c1cccc(F)c1 ZINC001480932827 1078760911 /nfs/dbraw/zinc/76/09/11/1078760911.db2.gz RQQYQPURKZOBEL-AWEZNQCLSA-N 1 3 309.429 2.277 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCCN(C)[C@@H](C)c1cccc(F)c1 ZINC001480932827 1078760912 /nfs/dbraw/zinc/76/09/12/1078760912.db2.gz RQQYQPURKZOBEL-AWEZNQCLSA-N 1 3 309.429 2.277 20 0 DEADHO O=C(CCC[NH+]1CCCCC1)NC[C@@H]1CCN1CCC1CC1 ZINC001483700880 1078821003 /nfs/dbraw/zinc/82/10/03/1078821003.db2.gz DDDMJHASVPVDOM-KRWDZBQOSA-N 1 3 307.482 2.243 20 0 DEADHO CCC(CC)CN1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001272424535 1078864756 /nfs/dbraw/zinc/86/47/56/1078864756.db2.gz USVXWLRAHTVSJQ-GOSISDBHSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[C@H](C)CN1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001272429773 1078869604 /nfs/dbraw/zinc/86/96/04/1078869604.db2.gz FZGIAUOAKFQCJO-FUHWJXTLSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC001645809934 1079005139 /nfs/dbraw/zinc/00/51/39/1079005139.db2.gz XGWFZIRPMHYYHM-AEFFLSMTSA-N 1 3 307.482 2.195 20 0 DEADHO CCCN1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC001645809934 1079005146 /nfs/dbraw/zinc/00/51/46/1079005146.db2.gz XGWFZIRPMHYYHM-AEFFLSMTSA-N 1 3 307.482 2.195 20 0 DEADHO [NH3+]C[C@]12CCC[C@@H]1CN([C@H]1CCCN(c3ccccc3)C1=O)C2 ZINC001549118253 1073030430 /nfs/dbraw/zinc/03/04/30/1073030430.db2.gz XPROUBNRWKKRMQ-AYBZRNKSSA-N 1 3 313.445 2.243 20 0 DEADHO CCn1cc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CCC[C@@H]2CN)cn1 ZINC001549338087 1073130541 /nfs/dbraw/zinc/13/05/41/1073130541.db2.gz FGJPZBPDJFUBJI-MUIFIZLQSA-N 1 3 306.454 2.088 20 0 DEADHO CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)CC1CCCCC1 ZINC001481001404 1079046509 /nfs/dbraw/zinc/04/65/09/1079046509.db2.gz QODYZWYMLPRWCP-INIZCTEOSA-N 1 3 309.498 2.347 20 0 DEADHO CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)CC1CCCCC1 ZINC001481001404 1079046512 /nfs/dbraw/zinc/04/65/12/1079046512.db2.gz QODYZWYMLPRWCP-INIZCTEOSA-N 1 3 309.498 2.347 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CC(C)C)C1 ZINC001272651033 1079047187 /nfs/dbraw/zinc/04/71/87/1079047187.db2.gz BSPUXBQZUQXHNQ-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CCN1CCC[C@H](NC(=O)Nc2ccc([C@@H]3C[C@@H]3[NH3+])cc2)C1 ZINC001549793859 1073269199 /nfs/dbraw/zinc/26/91/99/1073269199.db2.gz YCFUOSCORKUOSH-JYJNAYRXSA-N 1 3 302.422 2.107 20 0 DEADHO C[C@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1c1ccccc1)N1CCCCCC1 ZINC001550077234 1073414614 /nfs/dbraw/zinc/41/46/14/1073414614.db2.gz NCYIQNVNDCMGRN-NXHRZFHOSA-N 1 3 315.461 2.123 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+][C@H](C)c2ccc(F)cc2)CC1)N(C)C ZINC001483784386 1079119209 /nfs/dbraw/zinc/11/92/09/1079119209.db2.gz SDHOXIOFHFTZLW-CJNGLKHVSA-N 1 3 321.440 2.465 20 0 DEADHO CC(C)C[N@H+](CC1CC1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001483818309 1079131887 /nfs/dbraw/zinc/13/18/87/1079131887.db2.gz JCDRHYZCRGGUKT-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[N@@H+](CC1CC1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001483818309 1079131890 /nfs/dbraw/zinc/13/18/90/1079131890.db2.gz JCDRHYZCRGGUKT-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001483815741 1079138160 /nfs/dbraw/zinc/13/81/60/1079138160.db2.gz ARASQNGTHPMCPT-SFHVURJKSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)C[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001483815741 1079138165 /nfs/dbraw/zinc/13/81/65/1079138165.db2.gz ARASQNGTHPMCPT-SFHVURJKSA-N 1 3 321.509 2.440 20 0 DEADHO COc1ccsc1CN[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@@H]1O ZINC001550422436 1073647096 /nfs/dbraw/zinc/64/70/96/1073647096.db2.gz WFBZMIQWBZXUFC-OQUILHJVSA-N 1 3 324.490 2.326 20 0 DEADHO COc1ccsc1CN[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@@H]1O ZINC001550422436 1073647098 /nfs/dbraw/zinc/64/70/98/1073647098.db2.gz WFBZMIQWBZXUFC-OQUILHJVSA-N 1 3 324.490 2.326 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NCc1cncn1C(C)C)C2 ZINC001550422423 1073647238 /nfs/dbraw/zinc/64/72/38/1073647238.db2.gz WBBPAWVAQCRPCN-XSLAGTTESA-N 1 3 320.481 2.033 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NCc1cncn1C(C)C)C2 ZINC001550422423 1073647241 /nfs/dbraw/zinc/64/72/41/1073647241.db2.gz WBBPAWVAQCRPCN-XSLAGTTESA-N 1 3 320.481 2.033 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@@H](NCc1cnn(C(C)C)c1)C2 ZINC001550422559 1073647255 /nfs/dbraw/zinc/64/72/55/1073647255.db2.gz YYMXWMCTSSXGBJ-MHORFTMASA-N 1 3 320.481 2.033 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@@H](NCc1cnn(C(C)C)c1)C2 ZINC001550422559 1073647258 /nfs/dbraw/zinc/64/72/58/1073647258.db2.gz YYMXWMCTSSXGBJ-MHORFTMASA-N 1 3 320.481 2.033 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@@H](NCc1ccc(Cl)nc1)C2 ZINC001550422468 1073647698 /nfs/dbraw/zinc/64/76/98/1073647698.db2.gz WROUEZQCXIYVPZ-FSDCSDTHSA-N 1 3 323.868 2.304 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@@H](NCc1ccc(Cl)nc1)C2 ZINC001550422468 1073647699 /nfs/dbraw/zinc/64/76/99/1073647699.db2.gz WROUEZQCXIYVPZ-FSDCSDTHSA-N 1 3 323.868 2.304 20 0 DEADHO CCn1ccnc1[C@H]1OCC[C@H]1[NH2+]C1CCN(CC2CC2)CC1 ZINC001550664410 1073782370 /nfs/dbraw/zinc/78/23/70/1073782370.db2.gz DAURPYGAOMWWDS-SJORKVTESA-N 1 3 318.465 2.197 20 0 DEADHO Cc1cc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)cnc1F ZINC001550667991 1073786977 /nfs/dbraw/zinc/78/69/77/1073786977.db2.gz VGJIGKKAKHQVEO-KONPQCLYSA-N 1 3 321.440 2.098 20 0 DEADHO Cc1cc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)cnc1F ZINC001550667991 1073786981 /nfs/dbraw/zinc/78/69/81/1073786981.db2.gz VGJIGKKAKHQVEO-KONPQCLYSA-N 1 3 321.440 2.098 20 0 DEADHO CCCC[C@H](CC)COC[C@@H](O)C[NH2+][C@H]1CCCCNC1 ZINC001245986286 1091688333 /nfs/dbraw/zinc/68/83/33/1091688333.db2.gz XHCQBUQKQHGUEE-ULQDDVLXSA-N 1 3 300.487 2.312 20 0 DEADHO CC1([NH+]2CCOCC2)CCC(NCc2nccn2C2CC2)CC1 ZINC001551238566 1074127276 /nfs/dbraw/zinc/12/72/76/1074127276.db2.gz MHVNGFCRCQEYEL-UHFFFAOYSA-N 1 3 318.465 2.341 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(Cc3cc4n(n3)CCCC4)C[C@H]2C1 ZINC001551263976 1074140448 /nfs/dbraw/zinc/14/04/48/1074140448.db2.gz ZYUYQGVAVSJKDL-BFYDXBDKSA-N 1 3 302.466 2.382 20 0 DEADHO O=C1Nc2ccccc2CC[C@H]1N1CCCC2(CC[NH2+]CC2)C1 ZINC001649849412 1079262630 /nfs/dbraw/zinc/26/26/30/1079262630.db2.gz LKFKBCGSMCGSTF-QGZVFWFLSA-N 1 3 313.445 2.406 20 0 DEADHO CO[C@H]1COC[C@@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC001552061333 1074453655 /nfs/dbraw/zinc/45/36/55/1074453655.db2.gz BDZIRDVIURHWLA-ROUUACIJSA-N 1 3 304.434 2.176 20 0 DEADHO Cn1cc([C@@H]2OCCC[C@@H]2CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC001552375772 1074559264 /nfs/dbraw/zinc/55/92/64/1074559264.db2.gz LWGGVLUGMKXEHE-VDHUWJSZSA-N 1 3 318.465 2.104 20 0 DEADHO Cn1cc([C@@H]2OCCC[C@@H]2CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC001552375772 1074559271 /nfs/dbraw/zinc/55/92/71/1074559271.db2.gz LWGGVLUGMKXEHE-VDHUWJSZSA-N 1 3 318.465 2.104 20 0 DEADHO O[C@H]1CCN(C2CC[NH+](Cc3cccc4ccoc43)CC2)C1 ZINC001649893353 1079291123 /nfs/dbraw/zinc/29/11/23/1079291123.db2.gz QWNMSEQZKUCWED-KRWDZBQOSA-N 1 3 300.402 2.464 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)[C@H](N)C3CCCCCC3)C[C@H]2C1 ZINC001646835939 1074641712 /nfs/dbraw/zinc/64/17/12/1074641712.db2.gz VRKHZNKDLIWJGC-BRSBDYLESA-N 1 3 321.509 2.473 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC(C)C)C1 ZINC001484125711 1079313970 /nfs/dbraw/zinc/31/39/70/1079313970.db2.gz PKSNTAMENPTDME-WMZOPIPTSA-N 1 3 309.498 2.345 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC001553548749 1074912378 /nfs/dbraw/zinc/91/23/78/1074912378.db2.gz IXYIMXNSJOEDMN-JKSUJKDBSA-N 1 3 322.497 2.082 20 0 DEADHO CCC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001566792928 1075346206 /nfs/dbraw/zinc/34/62/06/1075346206.db2.gz CVVAUNIUKCHFHR-LEULVCLVSA-N 1 3 307.482 2.454 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001496339839 1079429356 /nfs/dbraw/zinc/42/93/56/1079429356.db2.gz GHGWESYPKRGSKQ-JKSUJKDBSA-N 1 3 307.482 2.264 20 0 DEADHO [NH3+]Cc1ccc(CN2CCCN(Cc3cscn3)CC2)cc1 ZINC001580337248 1075905425 /nfs/dbraw/zinc/90/54/25/1075905425.db2.gz SIJKDTYBOXPTBK-UHFFFAOYSA-N 1 3 316.474 2.310 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccccc1C[NH3+] ZINC001650349647 1079549995 /nfs/dbraw/zinc/54/99/95/1079549995.db2.gz WIARUKDRROTRSR-HNAYVOBHSA-N 1 3 323.440 2.396 20 0 DEADHO CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001484367375 1079569968 /nfs/dbraw/zinc/56/99/68/1079569968.db2.gz CPUPYPFLYZDRCC-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)CC[C@@H]([NH3+])C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC001650442573 1079627556 /nfs/dbraw/zinc/62/75/56/1079627556.db2.gz MPNNMFHZNKOOIR-CVEARBPZSA-N 1 3 309.429 2.308 20 0 DEADHO C[NH+](C)CCCC(=O)N1CC2(C1)CCN(C/C=C/Cl)CC2 ZINC001484580961 1079669338 /nfs/dbraw/zinc/66/93/38/1079669338.db2.gz ZCAYRVXUCCFVDD-XBXARRHUSA-N 1 3 313.873 2.005 20 0 DEADHO CC1CCN(CC(=O)N(C)CC[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001481295362 1079675826 /nfs/dbraw/zinc/67/58/26/1079675826.db2.gz RZQKIUFBHUXVQD-FGTMMUONSA-N 1 3 321.509 2.203 20 0 DEADHO CC1CCN(CC(=O)N(C)CC[NH2+]CC2=CCCCC2)CC1 ZINC001481295344 1079676266 /nfs/dbraw/zinc/67/62/66/1079676266.db2.gz RDSFEAQFTASMNE-UHFFFAOYSA-N 1 3 307.482 2.267 20 0 DEADHO C[C@H]([NH2+]CCC1CC1)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001481327306 1079722947 /nfs/dbraw/zinc/72/29/47/1079722947.db2.gz FAQIFRNJCOTFDP-YOEHRIQHSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]([NH2+]C/C=C\Cl)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001481343357 1079737430 /nfs/dbraw/zinc/73/74/30/1079737430.db2.gz NDCQEBFTSKLUIY-HJHHMULASA-N 1 3 313.873 2.051 20 0 DEADHO C[C@@H]([NH2+]C/C=C/Cl)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001481343355 1079737700 /nfs/dbraw/zinc/73/77/00/1079737700.db2.gz NDCQEBFTSKLUIY-BTKRWWFXSA-N 1 3 313.873 2.051 20 0 DEADHO CN(C)C1(C(=O)NC2CC(C[NH2+]CC3CC(C)(C)C3)C2)CCC1 ZINC001485094965 1079977287 /nfs/dbraw/zinc/97/72/87/1079977287.db2.gz WHWMHDDYFLDGOV-UHFFFAOYSA-N 1 3 321.509 2.391 20 0 DEADHO CCCN(C)CC(=O)N1CCC(C[N@H+](C)C/C=C\Cl)CC1 ZINC001481520539 1079992803 /nfs/dbraw/zinc/99/28/03/1079992803.db2.gz UJUJMQVFXFLYOA-YVMONPNESA-N 1 3 315.889 2.251 20 0 DEADHO CCCN(C)CC(=O)N1CCC(C[N@@H+](C)C/C=C\Cl)CC1 ZINC001481520539 1079992809 /nfs/dbraw/zinc/99/28/09/1079992809.db2.gz UJUJMQVFXFLYOA-YVMONPNESA-N 1 3 315.889 2.251 20 0 DEADHO CN(C)c1ccc(C[NH2+]Cc2ccnn2-c2ccncc2)cn1 ZINC001656027205 1080031145 /nfs/dbraw/zinc/03/11/45/1080031145.db2.gz HMUPDHQDNSBGEQ-UHFFFAOYSA-N 1 3 308.389 2.018 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[C@@H]([NH2+]CCF)C(C)C ZINC001485441886 1080209159 /nfs/dbraw/zinc/20/91/59/1080209159.db2.gz WYSDXZAHPUIUEK-HZPDHXFCSA-N 1 3 315.477 2.293 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)CC[C@H]([NH2+]CCF)C(C)C ZINC001485441885 1080209311 /nfs/dbraw/zinc/20/93/11/1080209311.db2.gz WYSDXZAHPUIUEK-HOTGVXAUSA-N 1 3 315.477 2.293 20 0 DEADHO CCN(CCNC/C=C\Cl)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001268491646 1080624578 /nfs/dbraw/zinc/62/45/78/1080624578.db2.gz RLCWZIPUJCLETD-AJNJCKRNSA-N 1 3 315.889 2.297 20 0 DEADHO CC(C)[C@@H](C(=O)NC/C=C\C[NH2+]CC1CC(C)(C)C1)N(C)C ZINC001268551356 1080747114 /nfs/dbraw/zinc/74/71/14/1080747114.db2.gz FTYFYOODGMMUQN-PTZVLDCSSA-N 1 3 309.498 2.271 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@@H]2CC[N@H+](CC3=CCCCC3)C2)C1 ZINC001663620080 1080790486 /nfs/dbraw/zinc/79/04/86/1080790486.db2.gz KDPFCCCNJUMUML-WMZOPIPTSA-N 1 3 319.493 2.267 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@@H]2CC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001663620080 1080790489 /nfs/dbraw/zinc/79/04/89/1080790489.db2.gz KDPFCCCNJUMUML-WMZOPIPTSA-N 1 3 319.493 2.267 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+][C@H]1CCc2ccccc21 ZINC001482173167 1080878611 /nfs/dbraw/zinc/87/86/11/1080878611.db2.gz GYSQROANXLGNML-YJBOKZPZSA-N 1 3 317.477 2.356 20 0 DEADHO CN(CCC[NH2+]C/C=C/c1ccccc1)C(=O)[C@@H]1CCCN1C ZINC001268782904 1080989168 /nfs/dbraw/zinc/98/91/68/1080989168.db2.gz GJUFWSUCKZCROE-QKIXSCASSA-N 1 3 315.461 2.232 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)[C@H]2CC[N@H+](CCCCCF)C2)C1 ZINC001665664519 1081059055 /nfs/dbraw/zinc/05/90/55/1081059055.db2.gz NSHGKLGCIBDFES-CVEARBPZSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)[C@H]2CC[N@@H+](CCCCCF)C2)C1 ZINC001665664519 1081059063 /nfs/dbraw/zinc/05/90/63/1081059063.db2.gz NSHGKLGCIBDFES-CVEARBPZSA-N 1 3 313.461 2.001 20 0 DEADHO CCN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(CC=C(C)C)C1 ZINC001665738484 1081074450 /nfs/dbraw/zinc/07/44/50/1081074450.db2.gz VJGMFWQYUOXFPJ-IAGOWNOFSA-N 1 3 307.482 2.217 20 0 DEADHO CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CC=C(C)C)C1 ZINC001665738484 1081074457 /nfs/dbraw/zinc/07/44/57/1081074457.db2.gz VJGMFWQYUOXFPJ-IAGOWNOFSA-N 1 3 307.482 2.217 20 0 DEADHO CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(CC=C(C)C)C1 ZINC001665738485 1081074606 /nfs/dbraw/zinc/07/46/06/1081074606.db2.gz VJGMFWQYUOXFPJ-IRXDYDNUSA-N 1 3 307.482 2.217 20 0 DEADHO CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(CC=C(C)C)C1 ZINC001665738485 1081074613 /nfs/dbraw/zinc/07/46/13/1081074613.db2.gz VJGMFWQYUOXFPJ-IRXDYDNUSA-N 1 3 307.482 2.217 20 0 DEADHO C[C@H](C[NH2+]C/C=C/Cl)N(C)C(=O)CN(C)CC(C)(C)C ZINC001666993185 1081200656 /nfs/dbraw/zinc/20/06/56/1081200656.db2.gz ZMUNVTGUSSZNBS-SBDDDAINSA-N 1 3 303.878 2.153 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+]Cc2cncs2)CCCC1 ZINC001482238774 1081338414 /nfs/dbraw/zinc/33/84/14/1081338414.db2.gz WUCPEGKHLYWPLJ-UHFFFAOYSA-N 1 3 324.494 2.002 20 0 DEADHO CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001668881935 1081405863 /nfs/dbraw/zinc/40/58/63/1081405863.db2.gz BWYWJYNERYZWFD-OGZRUICASA-N 1 3 323.868 2.442 20 0 DEADHO CC(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)N1CCCC1)C2 ZINC001095813150 1081411673 /nfs/dbraw/zinc/41/16/73/1081411673.db2.gz GHLNTPMDQYOTDP-VSZNYVQBSA-N 1 3 319.493 2.238 20 0 DEADHO CC(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)N1CCCC1)C2 ZINC001095813150 1081411677 /nfs/dbraw/zinc/41/16/77/1081411677.db2.gz GHLNTPMDQYOTDP-VSZNYVQBSA-N 1 3 319.493 2.238 20 0 DEADHO Cc1cc(CNC/C=C/CNC(=O)CC[NH+](C)C)c(C)s1 ZINC001669020648 1081419196 /nfs/dbraw/zinc/41/91/96/1081419196.db2.gz HBUPEYCKAAOXFW-AATRIKPKSA-N 1 3 309.479 2.079 20 0 DEADHO Cc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001669028050 1081420865 /nfs/dbraw/zinc/42/08/65/1081420865.db2.gz YXBYNSBUPKAZCH-HPFMTEOYSA-N 1 3 317.477 2.343 20 0 DEADHO CC(C)CC[NH2+]C[C@]1(C)CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001671784957 1081538810 /nfs/dbraw/zinc/53/88/10/1081538810.db2.gz NSJJYDPORFWSDE-AEFFLSMTSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC1CC(C)(C)C1)N(C)C ZINC001482294573 1081544187 /nfs/dbraw/zinc/54/41/87/1081544187.db2.gz GWDBJWLGGGMHKK-HOCLYGCPSA-N 1 3 311.514 2.445 20 0 DEADHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001482300236 1081562776 /nfs/dbraw/zinc/56/27/76/1081562776.db2.gz RHUIQVRPTZQTOE-CZUORRHYSA-N 1 3 309.429 2.102 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1CC[NH2+]C/C=C/Cl ZINC001482456321 1081905848 /nfs/dbraw/zinc/90/58/48/1081905848.db2.gz LZJVGKBIMLGYNH-ZRFDWSJLSA-N 1 3 310.829 2.066 20 0 DEADHO CCCCC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001271402003 1082030452 /nfs/dbraw/zinc/03/04/52/1082030452.db2.gz BGHJQOJRVHWEMY-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCCc2ccsc2)C1)N(C)C ZINC001266559453 1082157245 /nfs/dbraw/zinc/15/72/45/1082157245.db2.gz AGBCCUYQWTTZSH-JKSUJKDBSA-N 1 3 323.506 2.211 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001271930699 1082197785 /nfs/dbraw/zinc/19/77/85/1082197785.db2.gz ABJGUTLRQNQBSN-AEFFLSMTSA-N 1 3 307.482 2.195 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001271930699 1082197791 /nfs/dbraw/zinc/19/77/91/1082197791.db2.gz ABJGUTLRQNQBSN-AEFFLSMTSA-N 1 3 307.482 2.195 20 0 DEADHO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@@H]1CC[C@H]2CCCCN21 ZINC001648984699 1082397466 /nfs/dbraw/zinc/39/74/66/1082397466.db2.gz DKLYAVRNTNOJBW-CJNGLKHVSA-N 1 3 317.408 2.427 20 0 DEADHO C[C@@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482649022 1082432837 /nfs/dbraw/zinc/43/28/37/1082432837.db2.gz GDQSMCSTQZATBS-HOCLYGCPSA-N 1 3 321.440 2.229 20 0 DEADHO C[C@@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482649022 1082432841 /nfs/dbraw/zinc/43/28/41/1082432841.db2.gz GDQSMCSTQZATBS-HOCLYGCPSA-N 1 3 321.440 2.229 20 0 DEADHO C[NH+](C)CCC(=O)NC/C=C\CN[C@H]1CCc2c1cccc2F ZINC001483054863 1082671003 /nfs/dbraw/zinc/67/10/03/1082671003.db2.gz SJCDZGQEFKRXPA-LIMHQNJXSA-N 1 3 319.424 2.027 20 0 DEADHO CC[C@@H](C(=O)NC/C=C/C[NH2+][C@@H](C)c1ccc(F)cc1)N(C)C ZINC001483060707 1082678033 /nfs/dbraw/zinc/67/80/33/1082678033.db2.gz OTATWIPVCQMRPX-MFTLYIETSA-N 1 3 321.440 2.489 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)C2CCC2)cc1 ZINC001409403371 1082869373 /nfs/dbraw/zinc/86/93/73/1082869373.db2.gz VVIXSUGIQLYKSZ-JKSUJKDBSA-N 1 3 317.477 2.462 20 0 DEADHO CCc1ccc(CN[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc1 ZINC001413153088 1083392866 /nfs/dbraw/zinc/39/28/66/1083392866.db2.gz DQCJBUGQHLUODD-SFHVURJKSA-N 1 3 319.493 2.431 20 0 DEADHO COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[C@@H]3CN(C)C[C@H]13)CC2 ZINC001413178095 1083413707 /nfs/dbraw/zinc/41/37/07/1083413707.db2.gz DJDXLLGHPAVHDB-SKWUIDRYSA-N 1 3 300.446 2.482 20 0 DEADHO CC/C=C\CCCCCN1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001276478181 1083462966 /nfs/dbraw/zinc/46/29/66/1083462966.db2.gz QAJFEGQSQQWKRG-WOQGQJNTSA-N 1 3 323.525 2.460 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1N(C/C=C/Cl)CC2 ZINC001107533806 1083465615 /nfs/dbraw/zinc/46/56/15/1083465615.db2.gz HHCIBOCPMCNRHM-SKJTVMHZSA-N 1 3 313.873 2.051 20 0 DEADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](CCC1CCCC1)CC2 ZINC001276513191 1083476369 /nfs/dbraw/zinc/47/63/69/1083476369.db2.gz HOHSNLJBNUEQCP-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CCCC[N@@H+]1CC[C@@]2(CNC(=O)CN(CC)CC)CCC[C@@H]12 ZINC001107582391 1083491700 /nfs/dbraw/zinc/49/17/00/1083491700.db2.gz BRRMQRNMMSOTOA-SJLPKXTDSA-N 1 3 309.498 2.489 20 0 DEADHO CCCC[N@H+]1CC[C@@]2(CNC(=O)CN(CC)CC)CCC[C@@H]12 ZINC001107582391 1083491705 /nfs/dbraw/zinc/49/17/05/1083491705.db2.gz BRRMQRNMMSOTOA-SJLPKXTDSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)=CCN1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001276601626 1083509258 /nfs/dbraw/zinc/50/92/58/1083509258.db2.gz QOGYWKVCTLAOBV-OAHLLOKOSA-N 1 3 307.482 2.121 20 0 DEADHO CCC[NH2+]C[C@H](NC(=O)c1cccc(CN(C)C)c1)C1CC1 ZINC001276712143 1083563634 /nfs/dbraw/zinc/56/36/34/1083563634.db2.gz QUTYMHSYBMANMR-KRWDZBQOSA-N 1 3 303.450 2.256 20 0 DEADHO CN(C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCSCC1 ZINC001276767363 1083597228 /nfs/dbraw/zinc/59/72/28/1083597228.db2.gz POXAVPOGPHIPFL-ALOPSCKCSA-N 1 3 311.539 2.276 20 0 DEADHO CN(C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCSCC1 ZINC001276767363 1083597239 /nfs/dbraw/zinc/59/72/39/1083597239.db2.gz POXAVPOGPHIPFL-ALOPSCKCSA-N 1 3 311.539 2.276 20 0 DEADHO Cc1cc(C)c(CN2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)[nH]1 ZINC001276795160 1083615233 /nfs/dbraw/zinc/61/52/33/1083615233.db2.gz CQIGVXYTLRAFMJ-UHFFFAOYSA-N 1 3 318.509 2.481 20 0 DEADHO Cc1cc(C)c(CN2CCC3(CC[N@H+](CCN(C)C)C3)CC2)[nH]1 ZINC001276795160 1083615237 /nfs/dbraw/zinc/61/52/37/1083615237.db2.gz CQIGVXYTLRAFMJ-UHFFFAOYSA-N 1 3 318.509 2.481 20 0 DEADHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(Cc1cc3ccccc3[nH]1)C2 ZINC001276798890 1083615780 /nfs/dbraw/zinc/61/57/80/1083615780.db2.gz XXDROJOMQBNBPF-QAPCUYQASA-N 1 3 312.461 2.236 20 0 DEADHO Cc1cc(CN[C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)ccn1 ZINC001276806473 1083622421 /nfs/dbraw/zinc/62/24/21/1083622421.db2.gz OWPQYIWYLVXMQE-MOPGFXCFSA-N 1 3 316.493 2.476 20 0 DEADHO CCCCCCN1CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001276930503 1083685326 /nfs/dbraw/zinc/68/53/26/1083685326.db2.gz GWTBQVVEYXDEHF-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1)c1ccccc1 ZINC001490898222 1083865191 /nfs/dbraw/zinc/86/51/91/1083865191.db2.gz XOMFOYBXZUHEQS-DJIMGWMZSA-N 1 3 315.461 2.469 20 0 DEADHO CCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCN1C(C)C ZINC001277647588 1084075515 /nfs/dbraw/zinc/07/55/15/1084075515.db2.gz SWZRWRXFKSJXER-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)[C@H](C[NH2+]C/C=C/Cl)C1CC1)N(C)C ZINC001277662802 1084081972 /nfs/dbraw/zinc/08/19/72/1084081972.db2.gz OICVIHNZSWVJLL-SIEMXDPISA-N 1 3 315.889 2.152 20 0 DEADHO CCCCCCN(C)CC(=O)NCCC[NH2+]C[C@@H](CC)OC ZINC001168606102 1084137543 /nfs/dbraw/zinc/13/75/43/1084137543.db2.gz CBMNJTMFPUNIAV-MRXNPFEDSA-N 1 3 315.502 2.019 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]CCF)C1CC1 ZINC001485829863 1084138815 /nfs/dbraw/zinc/13/88/15/1084138815.db2.gz UHQHDTIHWMTVKR-CVEARBPZSA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1c[nH]cn1 ZINC001670939944 1084158905 /nfs/dbraw/zinc/15/89/05/1084158905.db2.gz NKRCPBKWPAQNDK-ZXFUBFMLSA-N 1 3 316.449 2.420 20 0 DEADHO Cc1csc(C[N@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)c1 ZINC001272872993 1084401018 /nfs/dbraw/zinc/40/10/18/1084401018.db2.gz ZXNRPPXAAWBRQV-QGZVFWFLSA-N 1 3 321.490 2.043 20 0 DEADHO Cc1csc(C[N@@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)c1 ZINC001272872993 1084401025 /nfs/dbraw/zinc/40/10/25/1084401025.db2.gz ZXNRPPXAAWBRQV-QGZVFWFLSA-N 1 3 321.490 2.043 20 0 DEADHO CC/C=C\CCN1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001235587133 1084471631 /nfs/dbraw/zinc/47/16/31/1084471631.db2.gz CDUAWSHPSZEBGH-DSPBCKRPSA-N 1 3 309.498 2.462 20 0 DEADHO [NH3+]C1CN([C@H]2CCCN(Cc3cccc4[nH]cc(Cl)c43)C2)C1 ZINC001236074131 1084605254 /nfs/dbraw/zinc/60/52/54/1084605254.db2.gz VIMICFFGDWYAAA-AWEZNQCLSA-N 1 3 318.852 2.429 20 0 DEADHO Cc1cccc(CN2CCC[C@H](N3CC([NH3+])C3)C2)c1OC(C)C ZINC001236078201 1084607162 /nfs/dbraw/zinc/60/71/62/1084607162.db2.gz NQENEHZPAPZQDN-SFHVURJKSA-N 1 3 317.477 2.390 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CCCF)C1CC1 ZINC001485839448 1084765198 /nfs/dbraw/zinc/76/51/98/1084765198.db2.gz YYRMMQLDKCSOHK-JKSUJKDBSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)NCc1ccc(Cl)s1 ZINC001485920166 1084985785 /nfs/dbraw/zinc/98/57/85/1084985785.db2.gz RHLOOPMYEGZIAN-NSHDSACASA-N 1 3 317.886 2.290 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC2CCC3(CC2)CC[NH+](C)CC3)C1 ZINC001413005070 1085172972 /nfs/dbraw/zinc/17/29/72/1085172972.db2.gz UKGUCTBDMWCRJD-OAHLLOKOSA-N 1 3 307.482 2.099 20 0 DEADHO CN(CC(=O)N(C)C1CC([NH2+]Cc2ccccc2)C1)C1CCC1 ZINC001486468033 1085345089 /nfs/dbraw/zinc/34/50/89/1085345089.db2.gz XPXCJEKVGIMILY-UHFFFAOYSA-N 1 3 315.461 2.250 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[N@H+](C)CC2CCC2)C1 ZINC000960861723 1085486641 /nfs/dbraw/zinc/48/66/41/1085486641.db2.gz HQPPODCKHKSECH-NVXWUHKLSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CCC2)C1 ZINC000960861723 1085486643 /nfs/dbraw/zinc/48/66/43/1085486643.db2.gz HQPPODCKHKSECH-NVXWUHKLSA-N 1 3 307.482 2.051 20 0 DEADHO C[N@H+](CC1CC1)C[C@@H]1CCCN1C(=O)CN1CCC(C)(C)C1 ZINC000960864638 1085487924 /nfs/dbraw/zinc/48/79/24/1085487924.db2.gz OQDGECFIVPGTBD-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO C[N@@H+](CC1CC1)C[C@@H]1CCCN1C(=O)CN1CCC(C)(C)C1 ZINC000960864638 1085487928 /nfs/dbraw/zinc/48/79/28/1085487928.db2.gz OQDGECFIVPGTBD-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CC1CCN(CC(=O)N2CCC[C@H]2C[N@H+](C)CC2CC2)CC1 ZINC000960941630 1085515666 /nfs/dbraw/zinc/51/56/66/1085515666.db2.gz UCMHRTUYMNIGIW-KRWDZBQOSA-N 1 3 307.482 2.051 20 0 DEADHO CC1CCN(CC(=O)N2CCC[C@H]2C[N@@H+](C)CC2CC2)CC1 ZINC000960941630 1085515673 /nfs/dbraw/zinc/51/56/73/1085515673.db2.gz UCMHRTUYMNIGIW-KRWDZBQOSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961185784 1085628352 /nfs/dbraw/zinc/62/83/52/1085628352.db2.gz QCEGTEDQECQLEM-IRXDYDNUSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961185784 1085628357 /nfs/dbraw/zinc/62/83/57/1085628357.db2.gz QCEGTEDQECQLEM-IRXDYDNUSA-N 1 3 321.509 2.440 20 0 DEADHO CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961265085 1085664723 /nfs/dbraw/zinc/66/47/23/1085664723.db2.gz VBKPKMDOVUZCGG-MSOLQXFVSA-N 1 3 321.509 2.299 20 0 DEADHO CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961265085 1085664731 /nfs/dbraw/zinc/66/47/31/1085664731.db2.gz VBKPKMDOVUZCGG-MSOLQXFVSA-N 1 3 321.509 2.299 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC000961463333 1085741742 /nfs/dbraw/zinc/74/17/42/1085741742.db2.gz MNRIKGSVQVFJND-FVQHAEBGSA-N 1 3 321.509 2.343 20 0 DEADHO CCC(CC)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC000961463333 1085741753 /nfs/dbraw/zinc/74/17/53/1085741753.db2.gz MNRIKGSVQVFJND-FVQHAEBGSA-N 1 3 321.509 2.343 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2CC[N@H+](CC3=CCCCC3)C2)CCC1 ZINC001493210595 1085864548 /nfs/dbraw/zinc/86/45/48/1085864548.db2.gz KSDBDSPMNHXCLF-QGZVFWFLSA-N 1 3 319.493 2.409 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2CC[N@@H+](CC3=CCCCC3)C2)CCC1 ZINC001493210595 1085864557 /nfs/dbraw/zinc/86/45/57/1085864557.db2.gz KSDBDSPMNHXCLF-QGZVFWFLSA-N 1 3 319.493 2.409 20 0 DEADHO CC(C)=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(C)C ZINC000961948652 1085919084 /nfs/dbraw/zinc/91/90/84/1085919084.db2.gz UIAZKPFGKFPMTN-XWTMOSNGSA-N 1 3 319.493 2.262 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(C)C ZINC000961948652 1085919094 /nfs/dbraw/zinc/91/90/94/1085919094.db2.gz UIAZKPFGKFPMTN-XWTMOSNGSA-N 1 3 319.493 2.262 20 0 DEADHO C[C@H]1CCN(CC(=O)NC2CC(C[NH2+]CC3=CCCCC3)C2)C1 ZINC000962308533 1086060344 /nfs/dbraw/zinc/06/03/44/1086060344.db2.gz HFODRDCZLWEPSH-ZLPCBKJTSA-N 1 3 319.493 2.313 20 0 DEADHO CC[N@@H+]1CCO[C@@H]2CN([C@H]3Cc4cccc(Cl)c4C3)C[C@@H]2C1 ZINC001168732674 1086072061 /nfs/dbraw/zinc/07/20/61/1086072061.db2.gz VGHMVZXXJCHMHS-RLFYNMQTSA-N 1 3 320.864 2.460 20 0 DEADHO CC[N@H+]1CCO[C@@H]2CN([C@H]3Cc4cccc(Cl)c4C3)C[C@@H]2C1 ZINC001168732674 1086072071 /nfs/dbraw/zinc/07/20/71/1086072071.db2.gz VGHMVZXXJCHMHS-RLFYNMQTSA-N 1 3 320.864 2.460 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1CC(C[NH2+]CC2CC(C)(C)C2)C1 ZINC000962597254 1086179865 /nfs/dbraw/zinc/17/98/65/1086179865.db2.gz FRYMHYGWKCYLBC-UHFFFAOYSA-N 1 3 318.465 2.181 20 0 DEADHO CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(CN(C)C)c1 ZINC000962731675 1086213113 /nfs/dbraw/zinc/21/31/13/1086213113.db2.gz XEBWWGZJRPRRKE-PIIMJCKOSA-N 1 3 315.461 2.208 20 0 DEADHO CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(CN(C)C)c1 ZINC000962731675 1086213123 /nfs/dbraw/zinc/21/31/23/1086213123.db2.gz XEBWWGZJRPRRKE-PIIMJCKOSA-N 1 3 315.461 2.208 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963366105 1086427804 /nfs/dbraw/zinc/42/78/04/1086427804.db2.gz JHIDKNXOFWSWSS-GOEBONIOSA-N 1 3 304.438 2.065 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963366105 1086427810 /nfs/dbraw/zinc/42/78/10/1086427810.db2.gz JHIDKNXOFWSWSS-GOEBONIOSA-N 1 3 304.438 2.065 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([C@H]2CCC[N@H+]2CCCF)C1 ZINC000963367693 1086428702 /nfs/dbraw/zinc/42/87/02/1086428702.db2.gz RTDAXQDZISOEGA-GOEBONIOSA-N 1 3 322.428 2.015 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([C@H]2CCC[N@@H+]2CCCF)C1 ZINC000963367693 1086428710 /nfs/dbraw/zinc/42/87/10/1086428710.db2.gz RTDAXQDZISOEGA-GOEBONIOSA-N 1 3 322.428 2.015 20 0 DEADHO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963383904 1086437960 /nfs/dbraw/zinc/43/79/60/1086437960.db2.gz OVFNFNDLVOGRFB-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963383904 1086437968 /nfs/dbraw/zinc/43/79/68/1086437968.db2.gz OVFNFNDLVOGRFB-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1c(C)cccc1C ZINC001168754742 1086468017 /nfs/dbraw/zinc/46/80/17/1086468017.db2.gz AUUWMMVCOOJACT-UHFFFAOYSA-N 1 3 305.466 2.241 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+][C@H]1CCc2c1cccc2F ZINC001168764323 1087702561 /nfs/dbraw/zinc/70/25/61/1087702561.db2.gz YNIYWMOUPKVMAW-KRWDZBQOSA-N 1 3 321.440 2.251 20 0 DEADHO CCC(CC)CN1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000957773990 1088611531 /nfs/dbraw/zinc/61/15/31/1088611531.db2.gz ABUQTLUHMCMWJG-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CC(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001080188591 1088667989 /nfs/dbraw/zinc/66/79/89/1088667989.db2.gz MJDYBSMNYNNYOZ-NXHRZFHOSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001080188591 1088667992 /nfs/dbraw/zinc/66/79/92/1088667992.db2.gz MJDYBSMNYNNYOZ-NXHRZFHOSA-N 1 3 321.509 2.343 20 0 DEADHO CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC001080318328 1088815016 /nfs/dbraw/zinc/81/50/16/1088815016.db2.gz NZOBEHKKBMSGGQ-DJIMGWMZSA-N 1 3 307.482 2.240 20 0 DEADHO CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC001080318328 1088815033 /nfs/dbraw/zinc/81/50/33/1088815033.db2.gz NZOBEHKKBMSGGQ-DJIMGWMZSA-N 1 3 307.482 2.240 20 0 DEADHO CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001080554538 1089059883 /nfs/dbraw/zinc/05/98/83/1089059883.db2.gz UWRWEMPBOSARLF-IXDOHACOSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001080554538 1089059897 /nfs/dbraw/zinc/05/98/97/1089059897.db2.gz UWRWEMPBOSARLF-IXDOHACOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)N1CCc2ccccc2[C@H]1C[NH2+]C(C)C)N(C)C ZINC000958803223 1089193500 /nfs/dbraw/zinc/19/35/00/1089193500.db2.gz PABHZKLCMFFNII-ZWKOTPCHSA-N 1 3 317.477 2.451 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CC2)C1 ZINC001082783180 1090077021 /nfs/dbraw/zinc/07/70/21/1090077021.db2.gz FXZKSFKJVDKFHU-NXHRZFHOSA-N 1 3 321.509 2.486 20 0 DEADHO CC[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001410190448 1090407245 /nfs/dbraw/zinc/40/72/45/1090407245.db2.gz ZSWYJANWNPJWFL-QAETUUGQSA-N 1 3 309.498 2.390 20 0 DEADHO CCCN1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084853210 1090477027 /nfs/dbraw/zinc/47/70/27/1090477027.db2.gz VVNGCAGBPMMGDT-ZACQAIPSSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@H]21 ZINC001084938913 1090530417 /nfs/dbraw/zinc/53/04/17/1090530417.db2.gz KTGHYVRMBBHHNB-SQNIBIBYSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@H]21 ZINC001084938913 1090530419 /nfs/dbraw/zinc/53/04/19/1090530419.db2.gz KTGHYVRMBBHHNB-SQNIBIBYSA-N 1 3 321.509 2.438 20 0 DEADHO CCN(CC[NH2+]CC1CCC(C)CC1)C(=O)[C@@H]1CCCN1C ZINC001273298430 1090786617 /nfs/dbraw/zinc/78/66/17/1090786617.db2.gz PBDMVQNHOQSPAC-JCYILVPMSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C(=O)C1(C[NH+](C)C)CC1)[C@@H]1CCN(CCCF)C1 ZINC001437901487 1091292599 /nfs/dbraw/zinc/29/25/99/1091292599.db2.gz CMXIQVUXZCBHED-OAHLLOKOSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@@H]([NH2+]C/C=C\CNC(=O)CN1CCCC1)c1cccc(F)c1 ZINC001274578506 1091306208 /nfs/dbraw/zinc/30/62/08/1091306208.db2.gz JHCLMCSJGIQBAC-MPNWYJEXSA-N 1 3 319.424 2.245 20 0 DEADHO c1c[nH]c(CN2CC[C@H]3C[N@@H+](Cc4cnco4)C[C@H]3CC2)c1 ZINC001276157336 1091613419 /nfs/dbraw/zinc/61/34/19/1091613419.db2.gz HYEDGCPTEWYCKK-GASCZTMLSA-N 1 3 300.406 2.347 20 0 DEADHO c1c[nH]c(CN2CC[C@H]3C[N@H+](Cc4cnco4)C[C@H]3CC2)c1 ZINC001276157336 1091613422 /nfs/dbraw/zinc/61/34/22/1091613422.db2.gz HYEDGCPTEWYCKK-GASCZTMLSA-N 1 3 300.406 2.347 20 0 DEADHO c1coc(CN2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001275236005 1091628238 /nfs/dbraw/zinc/62/82/38/1091628238.db2.gz LMGSXUGKQWGIPB-UHFFFAOYSA-N 1 3 300.406 2.491 20 0 DEADHO c1coc(CN2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001275236005 1091628242 /nfs/dbraw/zinc/62/82/42/1091628242.db2.gz LMGSXUGKQWGIPB-UHFFFAOYSA-N 1 3 300.406 2.491 20 0 DEADHO c1coc(C[NH+]2CCC3(CCN(Cc4cn[nH]c4)C3)CC2)c1 ZINC001275236005 1091628246 /nfs/dbraw/zinc/62/82/46/1091628246.db2.gz LMGSXUGKQWGIPB-UHFFFAOYSA-N 1 3 300.406 2.491 20 0 DEADHO CCOc1ccccc1CN1CC[C@H]2C[N@H+](CCN(C)C)C[C@H]21 ZINC001275266021 1091644164 /nfs/dbraw/zinc/64/41/64/1091644164.db2.gz QBKRLLDCZGHVED-FUHWJXTLSA-N 1 3 317.477 2.153 20 0 DEADHO CCOc1ccccc1CN1CC[C@H]2C[N@@H+](CCN(C)C)C[C@H]21 ZINC001275266021 1091644168 /nfs/dbraw/zinc/64/41/68/1091644168.db2.gz QBKRLLDCZGHVED-FUHWJXTLSA-N 1 3 317.477 2.153 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)CCC[NH2+]Cc2ccsc2)C1 ZINC001276226808 1091717918 /nfs/dbraw/zinc/71/79/18/1091717918.db2.gz JQGYJMKNRNSFET-CQSZACIVSA-N 1 3 309.479 2.028 20 0 DEADHO CN(C)CC[N@@H+]1CC[C@]2(C1)CCCN(Cc1cccc(O)c1)C2 ZINC001275815882 1092173908 /nfs/dbraw/zinc/17/39/08/1092173908.db2.gz KWRDBPLIIZGPEA-IBGZPJMESA-N 1 3 317.477 2.242 20 0 DEADHO CN(C)CC[N@H+]1CC[C@]2(C1)CCCN(Cc1cccc(O)c1)C2 ZINC001275815882 1092173911 /nfs/dbraw/zinc/17/39/11/1092173911.db2.gz KWRDBPLIIZGPEA-IBGZPJMESA-N 1 3 317.477 2.242 20 0 DEADHO CC[C@@H](C)[N@@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001273924159 1092514930 /nfs/dbraw/zinc/51/49/30/1092514930.db2.gz YWVAXTLHDZBULH-DNVCBOLYSA-N 1 3 315.461 2.337 20 0 DEADHO CC[C@@H](C)[N@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001273924159 1092514942 /nfs/dbraw/zinc/51/49/42/1092514942.db2.gz YWVAXTLHDZBULH-DNVCBOLYSA-N 1 3 315.461 2.337 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)N1CCCC1 ZINC001488648862 1092659293 /nfs/dbraw/zinc/65/92/93/1092659293.db2.gz VVJZOCTUKNSEEV-CVEARBPZSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C)C[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)N1CCCC1 ZINC001488648862 1092659297 /nfs/dbraw/zinc/65/92/97/1092659297.db2.gz VVJZOCTUKNSEEV-CVEARBPZSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H](F)CC[NH2+]C[C@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001671747474 1093864451 /nfs/dbraw/zinc/86/44/51/1093864451.db2.gz INTCNZSRTGOWGG-ZBFHGGJFSA-N 1 3 313.461 2.047 20 0 DEADHO CN(Cc1ccc(-c2cnn(CCC[NH+](C)C)c2)nc1)C1CC1 ZINC001236150930 1138333919 /nfs/dbraw/zinc/33/39/19/1138333919.db2.gz NRGZGXKPSFTHOI-UHFFFAOYSA-N 1 3 313.449 2.491 20 0 DEADHO Brc1cccnc1CN1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321832 1138351817 /nfs/dbraw/zinc/35/18/17/1138351817.db2.gz NBRJSRLOPBNIJN-TXEJJXNPSA-N 1 3 310.239 2.276 20 0 DEADHO CN(C)CCC[N@@H+]1CCC[C@]2(CCCN(Cc3cn[nH]c3)C2)C1 ZINC001278049777 1138500467 /nfs/dbraw/zinc/50/04/67/1138500467.db2.gz QSEUPRQJFKHVCG-SFHVURJKSA-N 1 3 319.497 2.039 20 0 DEADHO CN(C)CCC[N@H+]1CCC[C@]2(CCCN(Cc3cn[nH]c3)C2)C1 ZINC001278049777 1138500473 /nfs/dbraw/zinc/50/04/73/1138500473.db2.gz QSEUPRQJFKHVCG-SFHVURJKSA-N 1 3 319.497 2.039 20 0 DEADHO Clc1ccc2c(c1)[C@@H]1C[N@@H+](CC[C@H]3CNCCO3)CC[C@@H]1N2 ZINC001237237820 1138547146 /nfs/dbraw/zinc/54/71/46/1138547146.db2.gz XWMKUFPFLGMFQA-QRTARXTBSA-N 1 3 321.852 2.302 20 0 DEADHO Clc1ccc2c(c1)[C@@H]1C[N@H+](CC[C@H]3CNCCO3)CC[C@@H]1N2 ZINC001237237820 1138547152 /nfs/dbraw/zinc/54/71/52/1138547152.db2.gz XWMKUFPFLGMFQA-QRTARXTBSA-N 1 3 321.852 2.302 20 0 DEADHO CC(C)(C)c1ccc(NC(=O)NCCC[NH2+]CCCN)cc1 ZINC001239252295 1139003974 /nfs/dbraw/zinc/00/39/74/1139003974.db2.gz CDTIOBAETSWKFG-UHFFFAOYSA-N 1 3 306.454 2.434 20 0 DEADHO CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001278326747 1139759112 /nfs/dbraw/zinc/75/91/12/1139759112.db2.gz URJFGWGIHMIBJE-LZCSOBMZSA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)N1CCN(c2ccc(C3=CC[N@H+](C)CC3)cn2)CC1 ZINC001241319172 1139785758 /nfs/dbraw/zinc/78/57/58/1139785758.db2.gz DTYPHQBULUPESW-UHFFFAOYSA-N 1 3 300.450 2.331 20 0 DEADHO CC(C)N1CCN(c2ccc(C3=CC[N@@H+](C)CC3)cn2)CC1 ZINC001241319172 1139785774 /nfs/dbraw/zinc/78/57/74/1139785774.db2.gz DTYPHQBULUPESW-UHFFFAOYSA-N 1 3 300.450 2.331 20 0 DEADHO CN1CCC=C(c2ccc(C(=O)N[C@H]3CC[C@H]([NH3+])CC3)cc2)C1 ZINC001241572086 1139828485 /nfs/dbraw/zinc/82/84/85/1139828485.db2.gz PKYNZLOQSQQDPR-IYARVYRRSA-N 1 3 313.445 2.405 20 0 DEADHO COCCC[NH+]1CCC(N[C@@H]2COc3ccccc3C2)CC1 ZINC000340218232 1140190663 /nfs/dbraw/zinc/19/06/63/1140190663.db2.gz GPINKSKOKTXHKJ-KRWDZBQOSA-N 1 3 304.434 2.081 20 0 DEADHO C[C@H](C[NH2+]CCCc1ccsc1)N(C)C(=O)[C@H]1CCCN1C ZINC001319435586 1140573845 /nfs/dbraw/zinc/57/38/45/1140573845.db2.gz DEHQQWBUGAQPEI-GDBMZVCRSA-N 1 3 323.506 2.211 20 0 DEADHO c1cc(-c2ncnc3c2CCNC3)ccc1COC1CC[NH2+]CC1 ZINC001245402322 1140641025 /nfs/dbraw/zinc/64/10/25/1140641025.db2.gz GIGASMVNLCAIHP-UHFFFAOYSA-N 1 3 324.428 2.058 20 0 DEADHO CC(C)N1CCN(c2ccc(-c3ccncc3C[NH3+])cn2)CC1 ZINC001245557760 1140759564 /nfs/dbraw/zinc/75/95/64/1140759564.db2.gz KBBVNFDZQNPJDV-UHFFFAOYSA-N 1 3 311.433 2.133 20 0 DEADHO CC[C@H]([NH3+])CCNC[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001246000632 1140844276 /nfs/dbraw/zinc/84/42/76/1140844276.db2.gz LPHDHMAUCYNLIT-JKSUJKDBSA-N 1 3 308.466 2.441 20 0 DEADHO O[C@@H](CN[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1)C(F)(F)F ZINC001246004527 1140845219 /nfs/dbraw/zinc/84/52/19/1140845219.db2.gz ZNXXAHAXYGYWLH-KBPBESRZSA-N 1 3 320.330 2.379 20 0 DEADHO CCCCOC[C@@H](O)CN1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246032289 1140850439 /nfs/dbraw/zinc/85/04/39/1140850439.db2.gz RWNOVUMPATYZPW-ROUUACIJSA-N 1 3 312.498 2.410 20 0 DEADHO CCCC[C@H](CC)COC[C@H](O)CN1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246034267 1140850562 /nfs/dbraw/zinc/85/05/62/1140850562.db2.gz XBXXVKKXUHBYBJ-YLFCFFPRSA-N 1 3 318.477 2.342 20 0 DEADHO CCCCOC[C@@H](O)CN1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246032291 1140850819 /nfs/dbraw/zinc/85/08/19/1140850819.db2.gz RWNOVUMPATYZPW-ZWKOTPCHSA-N 1 3 312.498 2.410 20 0 DEADHO CCCC[C@H](CC)COC[C@H](O)CN1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246034266 1140850973 /nfs/dbraw/zinc/85/09/73/1140850973.db2.gz XBXXVKKXUHBYBJ-VVLHAWIVSA-N 1 3 318.477 2.342 20 0 DEADHO O[C@@]1(C[NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)CCNC[C@@H]1F ZINC001246082385 1140858268 /nfs/dbraw/zinc/85/82/68/1140858268.db2.gz LSGJQFZIURIASY-XWTMOSNGSA-N 1 3 306.425 2.365 20 0 DEADHO C[C@H]1C[C@@H](N[C@H]2CCNC[C@@H]2F)CC[N@@H+]1Cc1ccccc1 ZINC001246092870 1140860129 /nfs/dbraw/zinc/86/01/29/1140860129.db2.gz QIUPHQFNXRLAEX-DKIMLUQUSA-N 1 3 305.441 2.329 20 0 DEADHO C[C@H]1C[C@@H](N[C@H]2CCNC[C@@H]2F)CC[N@H+]1Cc1ccccc1 ZINC001246092870 1140860130 /nfs/dbraw/zinc/86/01/30/1140860130.db2.gz QIUPHQFNXRLAEX-DKIMLUQUSA-N 1 3 305.441 2.329 20 0 DEADHO O[C@]1(CN[C@H]2CCc3cccc(Cl)c3C2)CCCC[NH2+]C1 ZINC001246096437 1140861090 /nfs/dbraw/zinc/86/10/90/1140861090.db2.gz LLRJSLVVOUYZMX-WMLDXEAASA-N 1 3 308.853 2.292 20 0 DEADHO Cc1ccc(SC[C@@H](C)N[C@@H]2[C@H]3C[NH2+]C[C@@H]2COC3)cc1 ZINC001246148883 1140866872 /nfs/dbraw/zinc/86/68/72/1140866872.db2.gz NYKOVWCOVVVHKQ-AIANPOQGSA-N 1 3 306.475 2.300 20 0 DEADHO Cc1ccc(SC[C@@H](C)[NH2+][C@@H]2[C@H]3CNC[C@@H]2COC3)cc1 ZINC001246148883 1140866873 /nfs/dbraw/zinc/86/68/73/1140866873.db2.gz NYKOVWCOVVVHKQ-AIANPOQGSA-N 1 3 306.475 2.300 20 0 DEADHO COc1ccccc1CN1CCC([NH2+]C2CCNCC2)CC1 ZINC001246177017 1140870423 /nfs/dbraw/zinc/87/04/23/1140870423.db2.gz BWMZBHBVTNDXQE-UHFFFAOYSA-N 1 3 303.450 2.001 20 0 DEADHO CC(C)(C)[C@@H]1C[C@@H](NC[C@H]2Cc3ccccc3CN2)CC[NH2+]1 ZINC001246280529 1140880449 /nfs/dbraw/zinc/88/04/49/1140880449.db2.gz NRQCNQXGODHRDN-KSZLIROESA-N 1 3 301.478 2.457 20 0 DEADHO COc1cccc(CN2CCC([NH2+][C@@H]3CC[C@H](C)NC3)CC2)c1 ZINC001246348313 1140886434 /nfs/dbraw/zinc/88/64/34/1140886434.db2.gz FJFFBVUIKPKGBM-MAUKXSAKSA-N 1 3 317.477 2.390 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]C2CCN(CC(=O)c3cccs3)CC2)CCN1 ZINC001246372283 1140889719 /nfs/dbraw/zinc/88/97/19/1140889719.db2.gz ZUUVBDGEFFEBHO-ZFWWWQNUSA-N 1 3 321.490 2.125 20 0 DEADHO Cc1cccc(C2(CN[C@@H]3CC[NH2+][C@@H](C)C3)CCOCC2)n1 ZINC001246441034 1140899338 /nfs/dbraw/zinc/89/93/38/1140899338.db2.gz XTDAXCQHUMSRCQ-JKSUJKDBSA-N 1 3 303.450 2.168 20 0 DEADHO Cc1cccc(C2(C[NH2+][C@@H]3CCN[C@@H](C)C3)CCOCC2)n1 ZINC001246441034 1140899339 /nfs/dbraw/zinc/89/93/39/1140899339.db2.gz XTDAXCQHUMSRCQ-JKSUJKDBSA-N 1 3 303.450 2.168 20 0 DEADHO CCOC(=O)C1(C)CCC(N2CCC(F)(F)[C@H](C[NH3+])C2)CC1 ZINC001246557120 1140964609 /nfs/dbraw/zinc/96/46/09/1140964609.db2.gz LLKOJQLPUDOMPG-DNOWBOINSA-N 1 3 318.408 2.414 20 0 DEADHO C[C@H](Cc1ccc(Cl)cc1)N1CCNC2(CC[NH2+]CC2)C1 ZINC001246601541 1140999723 /nfs/dbraw/zinc/99/97/23/1140999723.db2.gz KADUYOQOOIIARL-CQSZACIVSA-N 1 3 307.869 2.298 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+]Cc2cc(C)nc(Cl)c2)CC1 ZINC001321143758 1141064904 /nfs/dbraw/zinc/06/49/04/1141064904.db2.gz RYCLOANKRZMVAC-CQSZACIVSA-N 1 3 310.873 2.159 20 0 DEADHO NC(=S)C1CC[NH+]([C@H]2CCN[C@@H](Cc3ccccc3)C2)CC1 ZINC001246900723 1141111483 /nfs/dbraw/zinc/11/14/83/1141111483.db2.gz WXQSNMTXYVXWQZ-IRXDYDNUSA-N 1 3 317.502 2.348 20 0 DEADHO NC(=S)C1CCN([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC1 ZINC001246900723 1141111498 /nfs/dbraw/zinc/11/14/98/1141111498.db2.gz WXQSNMTXYVXWQZ-IRXDYDNUSA-N 1 3 317.502 2.348 20 0 DEADHO CCC[C@@H](Cc1ccccc1)N1CC[C@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001246947991 1141165041 /nfs/dbraw/zinc/16/50/41/1141165041.db2.gz OTRGMRBTDKKYOD-ULQDDVLXSA-N 1 3 304.434 2.220 20 0 DEADHO COC(=O)[C@H]1CN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1c1ccccc1 ZINC001246983748 1141214892 /nfs/dbraw/zinc/21/48/92/1141214892.db2.gz IJXVBPCGVVCGOH-MPBYHJMHSA-N 1 3 314.429 2.158 20 0 DEADHO COC(=O)[C@H]1CN([C@@H]2CC[NH2+][C@@H](C)C2)C[C@@H]1c1ccccc1 ZINC001246993499 1141228105 /nfs/dbraw/zinc/22/81/05/1141228105.db2.gz HNKAFPQRCLEIRY-SVGFKBNWSA-N 1 3 302.418 2.016 20 0 DEADHO COC(=O)[C@H]1CCN([C@H]2CC[NH2+][C@@H](C)C2)[C@H]1c1ccccc1 ZINC001247003560 1141238629 /nfs/dbraw/zinc/23/86/29/1141238629.db2.gz WREXALDGGHVLQH-HJWJTTGWSA-N 1 3 302.418 2.363 20 0 DEADHO CCOC(=O)N1CCC[C@H](N2CC[C@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001247012418 1141245322 /nfs/dbraw/zinc/24/53/22/1141245322.db2.gz DJUQQFGTJZGUKX-HRCADAONSA-N 1 3 309.454 2.071 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]C/C=C/Cl ZINC001322372869 1141546962 /nfs/dbraw/zinc/54/69/62/1141546962.db2.gz UXKJRRKXWRQEJM-HMJDLUCASA-N 1 3 324.856 2.278 20 0 DEADHO O[C@@H](C[NH2+]C1CCN(CC2CCC2)CC1)COc1ccccc1 ZINC001251250374 1142407790 /nfs/dbraw/zinc/40/77/90/1142407790.db2.gz BMEXHTAVTXCAKC-SFHVURJKSA-N 1 3 318.461 2.280 20 0 DEADHO Cc1ccccc1OC[C@@H](O)CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001251736116 1142499694 /nfs/dbraw/zinc/49/96/94/1142499694.db2.gz ITQXVGRADAQFIZ-MHORFTMASA-N 1 3 318.461 2.340 20 0 DEADHO Cc1ccccc1OC[C@@H](O)CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001251736116 1142499703 /nfs/dbraw/zinc/49/97/03/1142499703.db2.gz ITQXVGRADAQFIZ-MHORFTMASA-N 1 3 318.461 2.340 20 0 DEADHO CCCC[C@@H](O)C[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001252112279 1142645277 /nfs/dbraw/zinc/64/52/77/1142645277.db2.gz MDEHKAQZJPXTHB-LJQANCHMSA-N 1 3 319.493 2.075 20 0 DEADHO CCN(CC)C[C@H](O)C[NH2+][C@H](C)COc1c(C)cccc1C ZINC001253208143 1142853944 /nfs/dbraw/zinc/85/39/44/1142853944.db2.gz NLSCOLRJUBJGBZ-IAGOWNOFSA-N 1 3 308.466 2.363 20 0 DEADHO CC[NH+](CC)C[C@@H](O)CNCCc1cn(C)c2ccccc12 ZINC001253209198 1142854600 /nfs/dbraw/zinc/85/46/00/1142854600.db2.gz ZXJQAEYTAONALO-INIZCTEOSA-N 1 3 303.450 2.013 20 0 DEADHO CCN(CC)C[C@H](O)C[NH2+][C@@H]1CSc2c(cccc2OC)C1 ZINC001253212970 1142855065 /nfs/dbraw/zinc/85/50/65/1142855065.db2.gz JNGKPTLHQYHFGA-LSDHHAIUSA-N 1 3 324.490 2.004 20 0 DEADHO CC[NH+](CC)C[C@@H](O)CNCC1(c2ccccc2)CCOCC1 ZINC001253215213 1142855476 /nfs/dbraw/zinc/85/54/76/1142855476.db2.gz VXIMMTKNLNGJMQ-SFHVURJKSA-N 1 3 320.477 2.027 20 0 DEADHO CN1CCC[C@@H]1CC[NH2+]C[C@H](O)CCOCc1ccccc1 ZINC001253289174 1142861202 /nfs/dbraw/zinc/86/12/02/1142861202.db2.gz KSKPRBBHYAHHRK-QZTJIDSGSA-N 1 3 306.450 2.028 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCNC[C@H](O)CCOCc1ccccc1 ZINC001253289174 1142861203 /nfs/dbraw/zinc/86/12/03/1142861203.db2.gz KSKPRBBHYAHHRK-QZTJIDSGSA-N 1 3 306.450 2.028 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCNC[C@H](O)CCOCc1ccccc1 ZINC001253289174 1142861204 /nfs/dbraw/zinc/86/12/04/1142861204.db2.gz KSKPRBBHYAHHRK-QZTJIDSGSA-N 1 3 306.450 2.028 20 0 DEADHO COc1ccc2c(CCNC[C@H](O)C[NH2+]C(C)(C)C)c[nH]c2c1 ZINC001253407199 1142869758 /nfs/dbraw/zinc/86/97/58/1142869758.db2.gz HKKPQVDTNMBEET-AWEZNQCLSA-N 1 3 319.449 2.058 20 0 DEADHO CC(C)(C)[C@H](O)C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001253747463 1142905486 /nfs/dbraw/zinc/90/54/86/1142905486.db2.gz OOEWNXFJSKAJPV-QGZVFWFLSA-N 1 3 305.466 2.290 20 0 DEADHO Cc1ccc(OC[C@@H](O)CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001253845709 1142985528 /nfs/dbraw/zinc/98/55/28/1142985528.db2.gz USJARCJTHYJCCG-FJIDUMEYSA-N 1 3 318.461 2.340 20 0 DEADHO Cc1ccc(OC[C@@H](O)CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001253845709 1142985543 /nfs/dbraw/zinc/98/55/43/1142985543.db2.gz USJARCJTHYJCCG-FJIDUMEYSA-N 1 3 318.461 2.340 20 0 DEADHO COCC1([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CCC1 ZINC001254049315 1143031473 /nfs/dbraw/zinc/03/14/73/1143031473.db2.gz CJSULUVAWVPBIC-UHFFFAOYSA-N 1 3 318.461 2.172 20 0 DEADHO CN1CCC[C@H]([NH2+]CCc2nc(-c3ccccc3)no2)CC1 ZINC001254500470 1143149800 /nfs/dbraw/zinc/14/98/00/1143149800.db2.gz HMYQQTBAZBCSTG-HNNXBMFYSA-N 1 3 300.406 2.353 20 0 DEADHO C[N@@H+]1CCC[C@H](NCCc2nc(-c3ccccc3)no2)CC1 ZINC001254500470 1143149815 /nfs/dbraw/zinc/14/98/15/1143149815.db2.gz HMYQQTBAZBCSTG-HNNXBMFYSA-N 1 3 300.406 2.353 20 0 DEADHO C[N@H+]1CCC[C@H](NCCc2nc(-c3ccccc3)no2)CC1 ZINC001254500470 1143149823 /nfs/dbraw/zinc/14/98/23/1143149823.db2.gz HMYQQTBAZBCSTG-HNNXBMFYSA-N 1 3 300.406 2.353 20 0 DEADHO CC(C)N1CCOC[C@@]2(CCC[N@@H+]([C@@H]3CCCN(C)CC3)C2)C1 ZINC001254519697 1143181514 /nfs/dbraw/zinc/18/15/14/1143181514.db2.gz JYPPUQPXCIBISM-MOPGFXCFSA-N 1 3 323.525 2.294 20 0 DEADHO CC(C)N1CCOC[C@@]2(CCC[N@H+]([C@@H]3CCCN(C)CC3)C2)C1 ZINC001254519697 1143181531 /nfs/dbraw/zinc/18/15/31/1143181531.db2.gz JYPPUQPXCIBISM-MOPGFXCFSA-N 1 3 323.525 2.294 20 0 DEADHO C[N@@H+]1CCC[C@H](n2nc(C(F)(F)F)c3c2CNCC3)CC1 ZINC001254530175 1143223258 /nfs/dbraw/zinc/22/32/58/1143223258.db2.gz UTHDLJDEDLJRQS-JTQLQIEISA-N 1 3 302.344 2.204 20 0 DEADHO C[N@H+]1CCC[C@H](n2nc(C(F)(F)F)c3c2CNCC3)CC1 ZINC001254530175 1143223271 /nfs/dbraw/zinc/22/32/71/1143223271.db2.gz UTHDLJDEDLJRQS-JTQLQIEISA-N 1 3 302.344 2.204 20 0 DEADHO c1ccc(CN2C[C@H]3C[C@@H](C2)N3[C@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254865537 1143346809 /nfs/dbraw/zinc/34/68/09/1143346809.db2.gz CSZNUGKQVUJFAF-SLFFLAALSA-N 1 3 311.473 2.429 20 0 DEADHO [NH3+]C1(Cc2cccnc2)CCN([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254940327 1143364879 /nfs/dbraw/zinc/36/48/79/1143364879.db2.gz UXDWJBGLXRJMSG-FVQHAEBGSA-N 1 3 313.445 2.175 20 0 DEADHO OC1CC2(C1)C[NH+]([C@H]1CCCN(Cc3ccccc3)CC1)C2 ZINC001255399689 1143597783 /nfs/dbraw/zinc/59/77/83/1143597783.db2.gz XNROFZJSDKBUIM-KRWDZBQOSA-N 1 3 300.446 2.498 20 0 DEADHO CN(C)C(=O)C1C[NH+]([C@@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255406492 1143599692 /nfs/dbraw/zinc/59/96/92/1143599692.db2.gz SPHFRTFZAWUEES-GOSISDBHSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H](O)c1cccc(O)c1 ZINC001255670361 1143800721 /nfs/dbraw/zinc/80/07/21/1143800721.db2.gz QELXWVNBWUGKGI-XLOFPCCBSA-N 1 3 304.434 2.419 20 0 DEADHO C[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H](O)c1cccc(O)c1 ZINC001255670361 1143800722 /nfs/dbraw/zinc/80/07/22/1143800722.db2.gz QELXWVNBWUGKGI-XLOFPCCBSA-N 1 3 304.434 2.419 20 0 DEADHO Cc1ccc(C[C@H](C)[N@H+]2CCC(=O)N(CCN(C)C)CC2)cc1 ZINC001255793000 1143806711 /nfs/dbraw/zinc/80/67/11/1143806711.db2.gz ABKYTKAQQBKIPD-KRWDZBQOSA-N 1 3 317.477 2.022 20 0 DEADHO Cc1ccc(C[C@H](C)[N@@H+]2CCC(=O)N(CCN(C)C)CC2)cc1 ZINC001255793000 1143806713 /nfs/dbraw/zinc/80/67/13/1143806713.db2.gz ABKYTKAQQBKIPD-KRWDZBQOSA-N 1 3 317.477 2.022 20 0 DEADHO COc1cccnc1C1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001256620253 1143857596 /nfs/dbraw/zinc/85/75/96/1143857596.db2.gz SSNBJFNBGIDVIU-GOOCMWNKSA-N 1 3 301.434 2.337 20 0 DEADHO COc1cccnc1C1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001256620253 1143857597 /nfs/dbraw/zinc/85/75/97/1143857597.db2.gz SSNBJFNBGIDVIU-GOOCMWNKSA-N 1 3 301.434 2.337 20 0 DEADHO CCc1nnc(C2CC[NH+](C3C[C@H]4CC[C@@H](C3)N4C)CC2)o1 ZINC001256628663 1143858714 /nfs/dbraw/zinc/85/87/14/1143858714.db2.gz NEYBQCIVXPAUGD-YIONKMFJSA-N 1 3 304.438 2.437 20 0 DEADHO C[C@@](CO)([NH2+]C1CCC(N2CCOCC2)CC1)c1ccccc1 ZINC001256684584 1143862174 /nfs/dbraw/zinc/86/21/74/1143862174.db2.gz UKAWAVPNJAFENI-ACBHZAAOSA-N 1 3 318.461 2.127 20 0 DEADHO CCC(=O)N1CCC(C[NH2+]C2CCN(CC(C)C)CC2)CC1 ZINC001258008311 1143964895 /nfs/dbraw/zinc/96/48/95/1143964895.db2.gz MFUPOHBHPPGNET-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CCC[NH+]1CCC(N2CC[C@@H]3[C@H](CCN3C(=O)C(C)C)C2)CC1 ZINC001258774816 1144040767 /nfs/dbraw/zinc/04/07/67/1144040767.db2.gz PRKGUFVAAZUHKF-SJLPKXTDSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@H]1C[C@@H](C(=O)NCCCN(C)CCC(F)(F)F)CC[N@@H+]1C ZINC001265027045 1144627485 /nfs/dbraw/zinc/62/74/85/1144627485.db2.gz CXFGNZQYBRJMBX-STQMWFEESA-N 1 3 323.403 2.107 20 0 DEADHO C[C@H]1C[C@@H](C(=O)NCCCN(C)CCC(F)(F)F)CC[N@H+]1C ZINC001265027045 1144627486 /nfs/dbraw/zinc/62/74/86/1144627486.db2.gz CXFGNZQYBRJMBX-STQMWFEESA-N 1 3 323.403 2.107 20 0 DEADHO CC(C)(C(=O)N1CCC[C@H](C[NH2+]CCF)C1)N1CCCCC1 ZINC001265609024 1144717715 /nfs/dbraw/zinc/71/77/15/1144717715.db2.gz IJJKFGXHJWRLLT-OAHLLOKOSA-N 1 3 313.461 2.049 20 0 DEADHO CCC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)N(C)C ZINC001265718247 1144733603 /nfs/dbraw/zinc/73/36/03/1144733603.db2.gz CBGLLIQQWJYQPZ-LAPFWKMDSA-N 1 3 321.509 2.365 20 0 DEADHO CCC/C=C/CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)N(C)C ZINC001265718247 1144733604 /nfs/dbraw/zinc/73/36/04/1144733604.db2.gz CBGLLIQQWJYQPZ-LAPFWKMDSA-N 1 3 321.509 2.365 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1CCC ZINC001265717285 1144733982 /nfs/dbraw/zinc/73/39/82/1144733982.db2.gz YBWMYRCOVSWMHO-UEUSWGCRSA-N 1 3 319.493 2.264 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1CCC ZINC001265717285 1144733986 /nfs/dbraw/zinc/73/39/86/1144733986.db2.gz YBWMYRCOVSWMHO-UEUSWGCRSA-N 1 3 319.493 2.264 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]CCC(C)(C)C)C1)N(C)C ZINC001266013213 1144786733 /nfs/dbraw/zinc/78/67/33/1144786733.db2.gz SSPITHGUJBSLPI-HZPDHXFCSA-N 1 3 311.514 2.447 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2C1 ZINC001279396468 1144821831 /nfs/dbraw/zinc/82/18/31/1144821831.db2.gz WPGXTJSDKRCTII-BHOBLMPXSA-N 1 3 307.482 2.073 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2C1 ZINC001279396468 1144821832 /nfs/dbraw/zinc/82/18/32/1144821832.db2.gz WPGXTJSDKRCTII-BHOBLMPXSA-N 1 3 307.482 2.073 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[NH2+]C/C=C\Cl ZINC001281897235 1144918589 /nfs/dbraw/zinc/91/85/89/1144918589.db2.gz HFHFGWXWIZRBNK-QPBFKRLHSA-N 1 3 301.862 2.050 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CCCN(C)C1 ZINC001364202595 1145074965 /nfs/dbraw/zinc/07/49/65/1145074965.db2.gz MBPXWUSIJITFOP-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CCCN(C)C1 ZINC001364202595 1145074974 /nfs/dbraw/zinc/07/49/74/1145074974.db2.gz MBPXWUSIJITFOP-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001364401888 1145225924 /nfs/dbraw/zinc/22/59/24/1145225924.db2.gz YFXUUNJRKPGKOZ-IAGOWNOFSA-N 1 3 307.482 2.384 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001364401888 1145225931 /nfs/dbraw/zinc/22/59/31/1145225931.db2.gz YFXUUNJRKPGKOZ-IAGOWNOFSA-N 1 3 307.482 2.384 20 0 DEADHO CC(C)n1cc(CNC2CC[NH+](C3CCN(C)CC3)CC2)cn1 ZINC001364570048 1145349819 /nfs/dbraw/zinc/34/98/19/1145349819.db2.gz LSJVSIGOYNBJLG-UHFFFAOYSA-N 1 3 319.497 2.112 20 0 DEADHO CC(C)N1CCC([NH2+][C@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC001364665489 1145431548 /nfs/dbraw/zinc/43/15/48/1145431548.db2.gz MOEVAKOBFGGYAI-INIZCTEOSA-N 1 3 307.482 2.382 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001365843214 1146025853 /nfs/dbraw/zinc/02/58/53/1146025853.db2.gz HCOAMWHFIMQTKN-XIRDDKMYSA-N 1 3 321.440 2.150 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]2C1 ZINC001365881507 1146038316 /nfs/dbraw/zinc/03/83/16/1146038316.db2.gz GMSIEOCGDZWIKQ-CVEARBPZSA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]2C1 ZINC001365881507 1146038320 /nfs/dbraw/zinc/03/83/20/1146038320.db2.gz GMSIEOCGDZWIKQ-CVEARBPZSA-N 1 3 309.498 2.153 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@H]1CCCN(CCc2cccs2)C1 ZINC001365939978 1146928716 /nfs/dbraw/zinc/92/87/16/1146928716.db2.gz NFBLWFFREAMYCA-HNNXBMFYSA-N 1 3 323.506 2.213 20 0 DEADHO CC[C@H](F)CN1CCC2(C[C@H]2NC(=O)CC[N@H+](C)CC)CC1 ZINC001366013650 1147008900 /nfs/dbraw/zinc/00/89/00/1147008900.db2.gz FRSZOXGEWLEIIZ-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](F)CN1CCC2(C[C@H]2NC(=O)CC[N@@H+](C)CC)CC1 ZINC001366013650 1147008903 /nfs/dbraw/zinc/00/89/03/1147008903.db2.gz FRSZOXGEWLEIIZ-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO CCCN(C(=O)[C@@H](CC)N(C)C)C1CC[NH+](CC2CC2)CC1 ZINC001366020221 1147011838 /nfs/dbraw/zinc/01/18/38/1147011838.db2.gz FXIJLPVYSBFDPA-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](F)CN[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001366097340 1147053019 /nfs/dbraw/zinc/05/30/19/1147053019.db2.gz XBAHUMDYFWSRPH-GJZGRUSLSA-N 1 3 313.461 2.190 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001366166289 1147087378 /nfs/dbraw/zinc/08/73/78/1147087378.db2.gz KLORMDCJXDMOHP-CZIQXLRQSA-N 1 3 324.428 2.211 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[C@H]2CCC[N@@H+]2CCCF)C1 ZINC001492165533 1147109740 /nfs/dbraw/zinc/10/97/40/1147109740.db2.gz WVQSDYKBUDIHCS-CVEARBPZSA-N 1 3 313.461 2.049 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[C@H]2CCC[N@H+]2CCCF)C1 ZINC001492165533 1147109751 /nfs/dbraw/zinc/10/97/51/1147109751.db2.gz WVQSDYKBUDIHCS-CVEARBPZSA-N 1 3 313.461 2.049 20 0 DEADHO CCc1ccccc1C[NH2+][C@@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001366342226 1147224232 /nfs/dbraw/zinc/22/42/32/1147224232.db2.gz WDNRWJPGHRMXLR-HOTGVXAUSA-N 1 3 317.477 2.185 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001366343604 1147225192 /nfs/dbraw/zinc/22/51/92/1147225192.db2.gz FKGNXZVSDYNARH-AWEZNQCLSA-N 1 3 316.449 2.104 20 0 DEADHO CCc1ccccc1C[NH2+][C@@H](C)CNC(=O)CN(C)C(C)C ZINC001366367294 1147237571 /nfs/dbraw/zinc/23/75/71/1147237571.db2.gz NZOWYVBRFOKOCY-HNNXBMFYSA-N 1 3 305.466 2.184 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NCc1nccs1 ZINC001366458432 1147293405 /nfs/dbraw/zinc/29/34/05/1147293405.db2.gz CQYUVALIDJDQHC-KBPBESRZSA-N 1 3 324.494 2.002 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NCc1nccs1 ZINC001366458432 1147293411 /nfs/dbraw/zinc/29/34/11/1147293411.db2.gz CQYUVALIDJDQHC-KBPBESRZSA-N 1 3 324.494 2.002 20 0 DEADHO C[C@H](c1ccccc1F)N(C)CCCNC(=O)CC[NH+](C)C ZINC001316846460 1147372099 /nfs/dbraw/zinc/37/20/99/1147372099.db2.gz GLUAKPBAPOGGAF-CQSZACIVSA-N 1 3 309.429 2.277 20 0 DEADHO Cc1ccc(CN2CCC[C@@H]2CNC(=O)CCC[NH+](C)C)cc1 ZINC001366672968 1147468813 /nfs/dbraw/zinc/46/88/13/1147468813.db2.gz ZCPILDIGYKUZGH-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[N@H+](Cc3ccsc3)C2)C1 ZINC001366693711 1147488152 /nfs/dbraw/zinc/48/81/52/1147488152.db2.gz CELVDVIKKADYNU-HUUCEWRRSA-N 1 3 321.490 2.028 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[N@@H+](Cc3ccsc3)C2)C1 ZINC001366693711 1147488159 /nfs/dbraw/zinc/48/81/59/1147488159.db2.gz CELVDVIKKADYNU-HUUCEWRRSA-N 1 3 321.490 2.028 20 0 DEADHO CN(CC(=O)NCCC[N@H+](C)CC1=CCCCC1)C1CCC1 ZINC001316828650 1147610145 /nfs/dbraw/zinc/61/01/45/1147610145.db2.gz QXMRLBUWVIUYHX-UHFFFAOYSA-N 1 3 307.482 2.409 20 0 DEADHO CN(CC(=O)NCCC[N@@H+](C)CC1=CCCCC1)C1CCC1 ZINC001316828650 1147610149 /nfs/dbraw/zinc/61/01/49/1147610149.db2.gz QXMRLBUWVIUYHX-UHFFFAOYSA-N 1 3 307.482 2.409 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001367020664 1147634415 /nfs/dbraw/zinc/63/44/15/1147634415.db2.gz YDZZMXVGJMHZFI-WBVHZDCISA-N 1 3 303.450 2.280 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001367020664 1147634417 /nfs/dbraw/zinc/63/44/17/1147634417.db2.gz YDZZMXVGJMHZFI-WBVHZDCISA-N 1 3 303.450 2.280 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+]C/C=C/Cl ZINC001317197130 1147674833 /nfs/dbraw/zinc/67/48/33/1147674833.db2.gz NTIBURNWVZLGRY-OWNNVSBGSA-N 1 3 301.862 2.051 20 0 DEADHO CC[C@@H](F)C[NH2+]CC1(NC(=O)[C@@H](CC)N(C)C)CCCC1 ZINC001367155983 1147657905 /nfs/dbraw/zinc/65/79/05/1147657905.db2.gz GLXNIYDCLCPECM-ZIAGYGMSSA-N 1 3 301.450 2.093 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]CC1CC(C)(C)C1)N(C)C ZINC001367269168 1147672067 /nfs/dbraw/zinc/67/20/67/1147672067.db2.gz KVJBJMBEBHPVJB-GOEBONIOSA-N 1 3 311.514 2.351 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCN2C)cc1F ZINC001367366292 1147684458 /nfs/dbraw/zinc/68/44/58/1147684458.db2.gz ZVVOCUTVSCOBOA-YOEHRIQHSA-N 1 3 321.440 2.165 20 0 DEADHO C[C@@H](CNCc1ccccc1F)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001367381347 1147686577 /nfs/dbraw/zinc/68/65/77/1147686577.db2.gz LKVJMSFAOLTPEU-GJZGRUSLSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@@H](CNCc1ccccc1F)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001367381347 1147686579 /nfs/dbraw/zinc/68/65/79/1147686579.db2.gz LKVJMSFAOLTPEU-GJZGRUSLSA-N 1 3 321.440 2.104 20 0 DEADHO CCc1ccc(C[N@H+](C)CCN(C)C(=O)[C@H]2CCCN2C)cc1 ZINC001367526496 1147709009 /nfs/dbraw/zinc/70/90/09/1147709009.db2.gz LQGASMGSQSZEPN-GOSISDBHSA-N 1 3 317.477 2.233 20 0 DEADHO CCc1ccc(C[N@@H+](C)CCN(C)C(=O)[C@H]2CCCN2C)cc1 ZINC001367526496 1147709010 /nfs/dbraw/zinc/70/90/10/1147709010.db2.gz LQGASMGSQSZEPN-GOSISDBHSA-N 1 3 317.477 2.233 20 0 DEADHO CCc1cccc(C[N@H+](C)CCN(C)C(=O)[C@H]2CCCN2C)c1 ZINC001367526729 1147709134 /nfs/dbraw/zinc/70/91/34/1147709134.db2.gz QMFJFOHNDAHYLH-GOSISDBHSA-N 1 3 317.477 2.233 20 0 DEADHO CCc1cccc(C[N@@H+](C)CCN(C)C(=O)[C@H]2CCCN2C)c1 ZINC001367526729 1147709135 /nfs/dbraw/zinc/70/91/35/1147709135.db2.gz QMFJFOHNDAHYLH-GOSISDBHSA-N 1 3 317.477 2.233 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)C[N@H+](C)CC1CC(C)(C)C1)N(C)C ZINC001367834945 1147756245 /nfs/dbraw/zinc/75/62/45/1147756245.db2.gz NGGSNPAYECBPDE-GDBMZVCRSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)C[N@@H+](C)CC1CC(C)(C)C1)N(C)C ZINC001367834945 1147756247 /nfs/dbraw/zinc/75/62/47/1147756247.db2.gz NGGSNPAYECBPDE-GDBMZVCRSA-N 1 3 311.514 2.445 20 0 DEADHO CC[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1[NH2+]C/C=C/Cl ZINC001367931315 1147784067 /nfs/dbraw/zinc/78/40/67/1147784067.db2.gz ZAHVTUSMZWIYDQ-OSZGCLPASA-N 1 3 315.889 2.296 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC1C[NH+](CCCCCF)C1 ZINC001318175559 1147789026 /nfs/dbraw/zinc/78/90/26/1147789026.db2.gz BCXXGSNWHRYLJQ-INIZCTEOSA-N 1 3 313.461 2.049 20 0 DEADHO CC(C)[C@H](C(=O)NCC1([NH2+]CCC2CCCC2)CC1)N(C)C ZINC001368025942 1147833902 /nfs/dbraw/zinc/83/39/02/1147833902.db2.gz YXLJYSQDGNMBLP-MRXNPFEDSA-N 1 3 309.498 2.391 20 0 DEADHO [NH3+][C@@H]1CCCC[C@H]1C(=O)NCCCN1CCc2ccccc2C1 ZINC001326407318 1148094234 /nfs/dbraw/zinc/09/42/34/1148094234.db2.gz BFZTWEJLRRMNBH-QZTJIDSGSA-N 1 3 315.461 2.069 20 0 DEADHO CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]CC2CCCC2)C1)N(C)C ZINC001368189630 1148315905 /nfs/dbraw/zinc/31/59/05/1148315905.db2.gz MOYZSERMYJCOCO-SJLPKXTDSA-N 1 3 309.498 2.345 20 0 DEADHO CN1CCN(Cc2ccc(C[NH2+]C[C@H]3CCSC3)cc2)CC1 ZINC000278275995 214063013 /nfs/dbraw/zinc/06/30/13/214063013.db2.gz AMVCAKOIUDNUCK-GOSISDBHSA-N 1 3 319.518 2.277 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)C2CCN(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000278301225 214077073 /nfs/dbraw/zinc/07/70/73/214077073.db2.gz RZFVRZAMLQCQGI-QAPCUYQASA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H](Cn1cccn1)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000138344877 282099213 /nfs/dbraw/zinc/09/92/13/282099213.db2.gz KXGRBUWOZHCLSD-IEBWSBKVSA-N 1 3 312.461 2.426 20 0 DEADHO C[C@H](Cn1cccn1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000138344877 282099216 /nfs/dbraw/zinc/09/92/16/282099216.db2.gz KXGRBUWOZHCLSD-IEBWSBKVSA-N 1 3 312.461 2.426 20 0 DEADHO C[C@H](Cn1cccn1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000138344877 282099219 /nfs/dbraw/zinc/09/92/19/282099219.db2.gz KXGRBUWOZHCLSD-IEBWSBKVSA-N 1 3 312.461 2.426 20 0 DEADHO CC[C@H](CS(=O)(=O)c1ccccc1)N[C@@H](C)CCCC[NH3+] ZINC000423006957 529406120 /nfs/dbraw/zinc/40/61/20/529406120.db2.gz WWBUBTMRWKXDMI-LSDHHAIUSA-N 1 3 312.479 2.346 20 0 DEADHO CC[C@H](NCC1CCN(CC(F)(F)F)CC1)[C@@H]1CCC[NH2+]1 ZINC000423066809 529593063 /nfs/dbraw/zinc/59/30/63/529593063.db2.gz YASZGCPTHWMYIF-KBPBESRZSA-N 1 3 307.404 2.381 20 0 DEADHO CC[C@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)[C@@H]1CCCN1 ZINC000423066809 529593066 /nfs/dbraw/zinc/59/30/66/529593066.db2.gz YASZGCPTHWMYIF-KBPBESRZSA-N 1 3 307.404 2.381 20 0 DEADHO COC(=O)CC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092820868 185343745 /nfs/dbraw/zinc/34/37/45/185343745.db2.gz XZOYYERJXLZCKX-UHFFFAOYSA-N 1 3 305.422 2.183 20 0 DEADHO COC(=O)CC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092820868 185343746 /nfs/dbraw/zinc/34/37/46/185343746.db2.gz XZOYYERJXLZCKX-UHFFFAOYSA-N 1 3 305.422 2.183 20 0 DEADHO C[NH2+]C[C@H](C)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000166328090 290706648 /nfs/dbraw/zinc/70/66/48/290706648.db2.gz APDPLYSJVNDBDG-DOTOQJQBSA-N 1 3 303.450 2.104 20 0 DEADHO C[C@@H](C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)N1CCCCCC1 ZINC000353045319 295717139 /nfs/dbraw/zinc/71/71/39/295717139.db2.gz GXKVVCFHOUVLOE-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)C1CCN(C)CC1 ZINC000090465416 539415844 /nfs/dbraw/zinc/41/58/44/539415844.db2.gz LFYWOTGVSVQBCW-PBHICJAKSA-N 1 3 307.482 2.240 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(Cc2ccc(OCCN(C)C)cc2)C1 ZINC000093770027 539431376 /nfs/dbraw/zinc/43/13/76/539431376.db2.gz QPEDMGUAXDCDBF-SFHVURJKSA-N 1 3 319.493 2.401 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(OCCN(C)C)cc2)C1 ZINC000093770027 539431381 /nfs/dbraw/zinc/43/13/81/539431381.db2.gz QPEDMGUAXDCDBF-SFHVURJKSA-N 1 3 319.493 2.401 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@H](c2nccn2C)C2CC2)C[C@@H](C)O1 ZINC000245845757 282407731 /nfs/dbraw/zinc/40/77/31/282407731.db2.gz DSIRPGTWKUGUNZ-INMHGKMJSA-N 1 3 320.481 2.350 20 0 DEADHO C[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1)N1CCCCCC1 ZINC000615617539 362660566 /nfs/dbraw/zinc/66/05/66/362660566.db2.gz ZUVOKJLBYVFKRE-AEFFLSMTSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@H](C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1)N1CCCCCC1 ZINC000615617539 362660570 /nfs/dbraw/zinc/66/05/70/362660570.db2.gz ZUVOKJLBYVFKRE-AEFFLSMTSA-N 1 3 307.482 2.195 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCN(CC3CC3)C2)[C@H](C)C1 ZINC000157681366 539573137 /nfs/dbraw/zinc/57/31/37/539573137.db2.gz NHHAEPYHWWEADY-QRQLOZEOSA-N 1 3 323.525 2.197 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])N(C)C)cc1 ZINC000163599197 539601325 /nfs/dbraw/zinc/60/13/25/539601325.db2.gz KXOAEUWORHDHGV-IKGGRYGDSA-N 1 3 303.450 2.095 20 0 DEADHO Cc1ccncc1C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000279916354 215234010 /nfs/dbraw/zinc/23/40/10/215234010.db2.gz MFGISCSHCSOZBB-UHFFFAOYSA-N 1 3 324.472 2.427 20 0 DEADHO CC(C)C[C@@H](N)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000236724184 539739985 /nfs/dbraw/zinc/73/99/85/539739985.db2.gz ZXDRUZPUHJLSQF-QZTJIDSGSA-N 1 3 317.477 2.041 20 0 DEADHO CC(C)C[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000236724184 539739989 /nfs/dbraw/zinc/73/99/89/539739989.db2.gz ZXDRUZPUHJLSQF-QZTJIDSGSA-N 1 3 317.477 2.041 20 0 DEADHO CC[C@@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])N1CCc2ccccc2C1 ZINC000236965766 539741169 /nfs/dbraw/zinc/74/11/69/539741169.db2.gz ONJAFNWHBBMTQK-KSZLIROESA-N 1 3 315.461 2.067 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)NC1CCN(C)CC1)CC(C)C ZINC000071923097 191032260 /nfs/dbraw/zinc/03/22/60/191032260.db2.gz GYKMDBKOTYOLPL-INIZCTEOSA-N 1 3 312.502 2.136 20 0 DEADHO CC(C)[C@H](N)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000236737092 201987248 /nfs/dbraw/zinc/98/72/48/201987248.db2.gz GEIRSVZGNDVFRS-PBHICJAKSA-N 1 3 303.450 2.312 20 0 DEADHO COCC[N@H+](C)CCCN[C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000280182410 539813459 /nfs/dbraw/zinc/81/34/59/539813459.db2.gz RRPYPNXCTOQZJJ-MRXNPFEDSA-N 1 3 322.449 2.249 20 0 DEADHO COCC[N@@H+](C)CCCN[C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000280182410 539813463 /nfs/dbraw/zinc/81/34/63/539813463.db2.gz RRPYPNXCTOQZJJ-MRXNPFEDSA-N 1 3 322.449 2.249 20 0 DEADHO CC[N@H+](CC[C@H]1CCNC1=O)Cc1ccc(CN(C)C)cc1 ZINC000626063901 366033334 /nfs/dbraw/zinc/03/33/34/366033334.db2.gz UTTWFBNZRJYHBC-QGZVFWFLSA-N 1 3 303.450 2.096 20 0 DEADHO CC[N@@H+](CC[C@H]1CCNC1=O)Cc1ccc(CN(C)C)cc1 ZINC000626063901 366033341 /nfs/dbraw/zinc/03/33/41/366033341.db2.gz UTTWFBNZRJYHBC-QGZVFWFLSA-N 1 3 303.450 2.096 20 0 DEADHO CC[N@H+](CCCN1CCOCC1)Cc1ccc(CN(C)C)cc1 ZINC000626062497 366031704 /nfs/dbraw/zinc/03/17/04/366031704.db2.gz UQURKZKTHNSSSP-UHFFFAOYSA-N 1 3 319.493 2.292 20 0 DEADHO CC[N@@H+](CCCN1CCOCC1)Cc1ccc(CN(C)C)cc1 ZINC000626062497 366031706 /nfs/dbraw/zinc/03/17/06/366031706.db2.gz UQURKZKTHNSSSP-UHFFFAOYSA-N 1 3 319.493 2.292 20 0 DEADHO [NH3+]Cc1cccc(NC(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000315541090 539884683 /nfs/dbraw/zinc/88/46/83/539884683.db2.gz KMUVNTGLLNDWQS-MRXNPFEDSA-N 1 3 302.422 2.237 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000320531972 539896799 /nfs/dbraw/zinc/89/67/99/539896799.db2.gz SCEJKFTZVWUPNN-AWEZNQCLSA-N 1 3 305.422 2.228 20 0 DEADHO CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000321379124 539900131 /nfs/dbraw/zinc/90/01/31/539900131.db2.gz VKVVQMNVZMXGAK-SFHVURJKSA-N 1 3 315.461 2.205 20 0 DEADHO O=S(=O)(CCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000339067315 539986004 /nfs/dbraw/zinc/98/60/04/539986004.db2.gz GDTYZBCXCPVYIY-CVEARBPZSA-N 1 3 322.474 2.067 20 0 DEADHO O=S(=O)(CCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000339067315 539986008 /nfs/dbraw/zinc/98/60/08/539986008.db2.gz GDTYZBCXCPVYIY-CVEARBPZSA-N 1 3 322.474 2.067 20 0 DEADHO CN(C)[C@H]1CCC[N@H+](CCC(=O)N2CCc3ccccc32)CC1 ZINC000277082998 213281807 /nfs/dbraw/zinc/28/18/07/213281807.db2.gz FJOZPLMXSKLKAM-KRWDZBQOSA-N 1 3 315.461 2.382 20 0 DEADHO CN(C)[C@H]1CCC[N@@H+](CCC(=O)N2CCc3ccccc32)CC1 ZINC000277082998 213281808 /nfs/dbraw/zinc/28/18/08/213281808.db2.gz FJOZPLMXSKLKAM-KRWDZBQOSA-N 1 3 315.461 2.382 20 0 DEADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC1CCN(C2CC2)CC1 ZINC000073570078 191328119 /nfs/dbraw/zinc/32/81/19/191328119.db2.gz AHCZKODCJXMOAH-INIZCTEOSA-N 1 3 322.497 2.129 20 0 DEADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC1CCN(C2CC2)CC1 ZINC000073570078 191328122 /nfs/dbraw/zinc/32/81/22/191328122.db2.gz AHCZKODCJXMOAH-INIZCTEOSA-N 1 3 322.497 2.129 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000077837812 355232199 /nfs/dbraw/zinc/23/21/99/355232199.db2.gz CVINZWIQHXUPED-IAGOWNOFSA-N 1 3 322.497 2.131 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000077837812 355232200 /nfs/dbraw/zinc/23/22/00/355232200.db2.gz CVINZWIQHXUPED-IAGOWNOFSA-N 1 3 322.497 2.131 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc(CN)c3)CC[C@H]21 ZINC000387742372 540128871 /nfs/dbraw/zinc/12/88/71/540128871.db2.gz QIAQEKNHEJSTDT-GDBMZVCRSA-N 1 3 302.422 2.093 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc(CN)c3)CC[C@H]21 ZINC000387742372 540128873 /nfs/dbraw/zinc/12/88/73/540128873.db2.gz QIAQEKNHEJSTDT-GDBMZVCRSA-N 1 3 302.422 2.093 20 0 DEADHO COc1ccc(-c2n[nH]cc2CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414924092 540157388 /nfs/dbraw/zinc/15/73/88/540157388.db2.gz JPKJWGIRHPQKCA-HUUCEWRRSA-N 1 3 300.406 2.445 20 0 DEADHO COc1ccc(-c2n[nH]cc2CN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414924089 540157431 /nfs/dbraw/zinc/15/74/31/540157431.db2.gz JPKJWGIRHPQKCA-CABCVRRESA-N 1 3 300.406 2.445 20 0 DEADHO COC(=O)[C@H]1CCCN(Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000092643681 355642420 /nfs/dbraw/zinc/64/24/20/355642420.db2.gz CXBMXNVETZMJSS-INIZCTEOSA-N 1 3 320.433 2.012 20 0 DEADHO CCOC[C@@H](O)C[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821272 355652375 /nfs/dbraw/zinc/65/23/75/355652375.db2.gz IQVLMKJZBRKQRT-SFHVURJKSA-N 1 3 321.465 2.017 20 0 DEADHO CCOC[C@@H](O)C[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821272 355652377 /nfs/dbraw/zinc/65/23/77/355652377.db2.gz IQVLMKJZBRKQRT-SFHVURJKSA-N 1 3 321.465 2.017 20 0 DEADHO C[C@H]1CN(Cc2ccccc2N(C)C2CCN(C)CC2)CC[NH2+]1 ZINC000092455010 355634316 /nfs/dbraw/zinc/63/43/16/355634316.db2.gz NQPRMPVTYFNMFN-INIZCTEOSA-N 1 3 316.493 2.011 20 0 DEADHO CSc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000119795933 355787830 /nfs/dbraw/zinc/78/78/30/355787830.db2.gz NCAPBECHKXADLM-UHFFFAOYSA-N 1 3 324.494 2.366 20 0 DEADHO C[C@@H](CCNC(=O)NCCN1CCC(C)CC1)[NH+]1CCCCC1 ZINC000184834025 356197668 /nfs/dbraw/zinc/19/76/68/356197668.db2.gz BVCVKAQVKKKLBW-KRWDZBQOSA-N 1 3 324.513 2.282 20 0 DEADHO CC(C)[C@@H](C(=O)Nc1cccc(OCCN(C)C)c1)[C@@H](C)[NH3+] ZINC000399631357 283153861 /nfs/dbraw/zinc/15/38/61/283153861.db2.gz GHYZTMPAMRQYBR-CZUORRHYSA-N 1 3 307.438 2.185 20 0 DEADHO O=C(CC[C@H]1CCC[NH2+]C1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000302922177 356392717 /nfs/dbraw/zinc/39/27/17/356392717.db2.gz PITCHGYDSIXEPW-AEFFLSMTSA-N 1 3 315.461 2.157 20 0 DEADHO Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](C)CN1CCCC1 ZINC000314965744 356420274 /nfs/dbraw/zinc/42/02/74/356420274.db2.gz FFZKQYZOUSWTBN-WBVHZDCISA-N 1 3 306.450 2.056 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000315581736 356424777 /nfs/dbraw/zinc/42/47/77/356424777.db2.gz OOLWQUYXFZDWBL-ZIAGYGMSSA-N 1 3 305.422 2.213 20 0 DEADHO C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCCN3C3CCCC3)C2)C1 ZINC000346333208 283169658 /nfs/dbraw/zinc/16/96/58/283169658.db2.gz WWLYTJQKEWCQQN-MJGOQNOKSA-N 1 3 319.493 2.338 20 0 DEADHO C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCCN3C3CCCC3)C2)C1 ZINC000346333208 283169661 /nfs/dbraw/zinc/16/96/61/283169661.db2.gz WWLYTJQKEWCQQN-MJGOQNOKSA-N 1 3 319.493 2.338 20 0 DEADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CCCCN1 ZINC000236907778 202064442 /nfs/dbraw/zinc/06/44/42/202064442.db2.gz VJAVCBCBXBSKNY-KRWDZBQOSA-N 1 3 303.450 2.287 20 0 DEADHO C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000420354752 283192655 /nfs/dbraw/zinc/19/26/55/283192655.db2.gz BLQHNAYJODGZNC-XHBSWPGZSA-N 1 3 319.840 2.397 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000236943528 202085390 /nfs/dbraw/zinc/08/53/90/202085390.db2.gz TUXURALEZWZRIF-NXHRZFHOSA-N 1 3 317.477 2.041 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000236943528 202085393 /nfs/dbraw/zinc/08/53/93/202085393.db2.gz TUXURALEZWZRIF-NXHRZFHOSA-N 1 3 317.477 2.041 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCOc1ccc(Cl)c(F)c1 ZINC000423156558 283195807 /nfs/dbraw/zinc/19/58/07/283195807.db2.gz SSWPGPNKLAHYTK-NVBFEUDRSA-N 1 3 316.804 2.200 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000236995777 202114368 /nfs/dbraw/zinc/11/43/68/202114368.db2.gz JPBBGWLOYLZNCJ-YOEHRIQHSA-N 1 3 305.466 2.470 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000423769833 283199233 /nfs/dbraw/zinc/19/92/33/283199233.db2.gz FQVLDCHSWCALFA-UKRRQHHQSA-N 1 3 309.479 2.013 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](CN)c1ccccc1 ZINC000237032269 202129179 /nfs/dbraw/zinc/12/91/79/202129179.db2.gz XRIFLWIEEAKQEW-IRXDYDNUSA-N 1 3 303.450 2.110 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H](CN)c1ccccc1 ZINC000237032269 202129181 /nfs/dbraw/zinc/12/91/81/202129181.db2.gz XRIFLWIEEAKQEW-IRXDYDNUSA-N 1 3 303.450 2.110 20 0 DEADHO C[C@H](C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)[C@@H](N)c1ccccc1 ZINC000423786548 283202790 /nfs/dbraw/zinc/20/27/90/283202790.db2.gz UAEOMBQXUKFLAZ-DZOHQFGASA-N 1 3 315.461 2.265 20 0 DEADHO C[C@H](C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)[C@@H](N)c1ccccc1 ZINC000423786548 283202794 /nfs/dbraw/zinc/20/27/94/283202794.db2.gz UAEOMBQXUKFLAZ-DZOHQFGASA-N 1 3 315.461 2.265 20 0 DEADHO CC(C)[C@@H](C[NH3+])C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000382745685 356677502 /nfs/dbraw/zinc/67/75/02/356677502.db2.gz SUEXENFRUDULPZ-FUHWJXTLSA-N 1 3 317.477 2.340 20 0 DEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000382834922 356678006 /nfs/dbraw/zinc/67/80/06/356678006.db2.gz MXIHHSGURVKICA-ZBFHGGJFSA-N 1 3 323.481 2.483 20 0 DEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000382834922 356678008 /nfs/dbraw/zinc/67/80/08/356678008.db2.gz MXIHHSGURVKICA-ZBFHGGJFSA-N 1 3 323.481 2.483 20 0 DEADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000382834916 356678072 /nfs/dbraw/zinc/67/80/72/356678072.db2.gz MXIHHSGURVKICA-GDBMZVCRSA-N 1 3 323.481 2.483 20 0 DEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000382834916 356678075 /nfs/dbraw/zinc/67/80/75/356678075.db2.gz MXIHHSGURVKICA-GDBMZVCRSA-N 1 3 323.481 2.483 20 0 DEADHO Cc1nccn1CC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425502646 283210626 /nfs/dbraw/zinc/21/06/26/283210626.db2.gz QRXPTMXRKANWTJ-RBUKOAKNSA-N 1 3 310.445 2.398 20 0 DEADHO Cc1nccn1CC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425502646 283210627 /nfs/dbraw/zinc/21/06/27/283210627.db2.gz QRXPTMXRKANWTJ-RBUKOAKNSA-N 1 3 310.445 2.398 20 0 DEADHO C[NH+](C)CC1CCN(C[C@@H]2CN(c3ccccc3)CCO2)CC1 ZINC000578761868 356869079 /nfs/dbraw/zinc/86/90/79/356869079.db2.gz SFHLLYKBXBMSAB-LJQANCHMSA-N 1 3 317.477 2.165 20 0 DEADHO CN(C)C[C@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000580782897 357080421 /nfs/dbraw/zinc/08/04/21/357080421.db2.gz LRTPUPUVGSXFFG-GOSISDBHSA-N 1 3 317.477 2.347 20 0 DEADHO COCCC[NH+]1CCC(NC[C@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000581543778 357203635 /nfs/dbraw/zinc/20/36/35/357203635.db2.gz VBENZEAZWNWIKX-LPHOPBHVSA-N 1 3 320.477 2.242 20 0 DEADHO [NH3+]CCC[C@H](NC(=O)[C@H]1CNCc2ccccc21)c1ccccc1 ZINC000581547490 357205054 /nfs/dbraw/zinc/20/50/54/357205054.db2.gz FMNQQIMYQUETIX-OALUTQOASA-N 1 3 323.440 2.470 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000418454914 283245630 /nfs/dbraw/zinc/24/56/30/283245630.db2.gz ZWANWKQQNOOEGH-MRXNPFEDSA-N 1 3 312.502 2.267 20 0 DEADHO N[C@H](CC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000581656837 357224110 /nfs/dbraw/zinc/22/41/10/357224110.db2.gz XXKOKDAHDWUWCN-BRWVUGGUSA-N 1 3 301.434 2.067 20 0 DEADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000584717796 357296466 /nfs/dbraw/zinc/29/64/66/357296466.db2.gz IFLKCBJPWLBVET-HZPDHXFCSA-N 1 3 320.481 2.194 20 0 DEADHO CCCOc1ccc(C[NH2+]CC2(O)CCN(C)CC2)c(C)c1 ZINC000657370936 540304011 /nfs/dbraw/zinc/30/40/11/540304011.db2.gz GDECTYVKXVDNCT-UHFFFAOYSA-N 1 3 306.450 2.330 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCN2C(C)(C)C)C1 ZINC000661396392 540317907 /nfs/dbraw/zinc/31/79/07/540317907.db2.gz AHOJPMGXTJJFFH-HOTGVXAUSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCN2C(C)(C)C)C1 ZINC000661396392 540317909 /nfs/dbraw/zinc/31/79/09/540317909.db2.gz AHOJPMGXTJJFFH-HOTGVXAUSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)[NH2+]CC(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000662822720 540334866 /nfs/dbraw/zinc/33/48/66/540334866.db2.gz NEVCGOAGIWPNKA-UHFFFAOYSA-N 1 3 318.465 2.145 20 0 DEADHO CN(CC1CC[NH+](C)CC1)C(=O)C[C@H]1NCc2ccccc21 ZINC000662821983 540334978 /nfs/dbraw/zinc/33/49/78/540334978.db2.gz KXKQGYPINFDVCF-QGZVFWFLSA-N 1 3 301.434 2.021 20 0 DEADHO c1nc(-c2ccncc2)sc1CN[C@H]1CC12CC[NH2+]CC2 ZINC000666952435 540369261 /nfs/dbraw/zinc/36/92/61/540369261.db2.gz WNQAMOVRQGZNOP-AWEZNQCLSA-N 1 3 300.431 2.437 20 0 DEADHO C[C@H](N)CC[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496051318 283356418 /nfs/dbraw/zinc/35/64/18/283356418.db2.gz UZEXTDPLXMNBOY-LSDHHAIUSA-N 1 3 305.422 2.367 20 0 DEADHO COC(=O)c1coc(CNCC2CC[NH+](CC3CC3)CC2)c1 ZINC000597248508 358869263 /nfs/dbraw/zinc/86/92/63/358869263.db2.gz ZNCSQONJPMDEGR-UHFFFAOYSA-N 1 3 306.406 2.278 20 0 DEADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000186873539 200025487 /nfs/dbraw/zinc/02/54/87/200025487.db2.gz GYZFEPCWWITBGQ-YOEHRIQHSA-N 1 3 301.434 2.010 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1oc2ccccc2c1CN(C)C ZINC000186873704 200025501 /nfs/dbraw/zinc/02/55/01/200025501.db2.gz RDWAFPJDICRYIN-DOMZBBRYSA-N 1 3 315.417 2.222 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1occc1C ZINC000667811855 540532382 /nfs/dbraw/zinc/53/23/82/540532382.db2.gz XYDXNTRLJQCWAG-MRXNPFEDSA-N 1 3 321.465 2.005 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1occc1C ZINC000667811855 540532385 /nfs/dbraw/zinc/53/23/85/540532385.db2.gz XYDXNTRLJQCWAG-MRXNPFEDSA-N 1 3 321.465 2.005 20 0 DEADHO CN(C)Cc1ccc(C(=O)N(C)CC2([NH+](C)C)CCC2)cc1 ZINC000187017042 200048194 /nfs/dbraw/zinc/04/81/94/200048194.db2.gz PTJDZYBFLRZIFB-UHFFFAOYSA-N 1 3 303.450 2.305 20 0 DEADHO CCOC(=O)N1CCC[C@@H]([C@H](C)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000497271304 283459919 /nfs/dbraw/zinc/45/99/19/283459919.db2.gz IZUPBXOADPROLY-JPIQDLEPSA-N 1 3 309.454 2.116 20 0 DEADHO C[C@@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1cccc(OCCN(C)C)c1 ZINC000187679850 200144253 /nfs/dbraw/zinc/14/42/53/200144253.db2.gz QEXYRMGJEQNDCB-COXVUDFISA-N 1 3 306.450 2.437 20 0 DEADHO C[C@@]1(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CCC[NH2+]C1 ZINC000237584987 202293480 /nfs/dbraw/zinc/29/34/80/202293480.db2.gz XPPJVAYWWRTXKV-IEBWSBKVSA-N 1 3 315.461 2.329 20 0 DEADHO NC[C@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc2ccccc2c1 ZINC000262910589 283494319 /nfs/dbraw/zinc/49/43/19/283494319.db2.gz YLYAGBKORBWGAH-KURKYZTESA-N 1 3 311.429 2.473 20 0 DEADHO N[C@H](CC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000237843123 202369053 /nfs/dbraw/zinc/36/90/53/202369053.db2.gz NUALLFHNSWGAOM-FUHWJXTLSA-N 1 3 315.461 2.411 20 0 DEADHO c1cc(CN2CCC(C[NH2+][C@@H]3CO[C@H](C4CC4)C3)CC2)ccn1 ZINC000668512063 540677022 /nfs/dbraw/zinc/67/70/22/540677022.db2.gz JFTBWOHGIVYGTO-OALUTQOASA-N 1 3 315.461 2.451 20 0 DEADHO C[NH2+]CCC1CCN(C(=O)[C@@H](C(C)C)N2CCCCC2)CC1 ZINC000261972579 283507396 /nfs/dbraw/zinc/50/73/96/283507396.db2.gz BPAWMCMUBPHPPE-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO [NH3+]CC[C@@H]1CCCN(CC(=O)N[C@@H](c2ccccc2)C2CC2)C1 ZINC000443057141 238100111 /nfs/dbraw/zinc/10/01/11/238100111.db2.gz FQUVMTSDYJZXBT-KXBFYZLASA-N 1 3 315.461 2.315 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@H](C(C)C)CC2)CC1 ZINC000604055201 360883451 /nfs/dbraw/zinc/88/34/51/360883451.db2.gz TWVSNPPSKPOQPS-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CNCc1cccc(NC(=O)c2cccn2C2CC[NH2+]CC2)c1 ZINC000669509190 540848319 /nfs/dbraw/zinc/84/83/19/540848319.db2.gz GEMRFHNYBSLTBP-UHFFFAOYSA-N 1 3 312.417 2.384 20 0 DEADHO CC[C@@H](CN1CCCC1)NC(=O)NCC[NH2+]C1CCCCCC1 ZINC000669530136 540854312 /nfs/dbraw/zinc/85/43/12/540854312.db2.gz RTINSYSOVAMNSL-INIZCTEOSA-N 1 3 324.513 2.472 20 0 DEADHO O=C(NCC[NH2+]C1CC1)NCCN1CCC2(CCCCC2)CC1 ZINC000669579919 540868309 /nfs/dbraw/zinc/86/83/09/540868309.db2.gz DQQKPEKUZGSMAX-UHFFFAOYSA-N 1 3 322.497 2.084 20 0 DEADHO C[C@H](CNC(=O)N[C@@H](C)C1CC[NH+](C)CC1)N1CCC(C)CC1 ZINC000606659940 361030521 /nfs/dbraw/zinc/03/05/21/361030521.db2.gz DWZQISVLBNRMBC-CVEARBPZSA-N 1 3 324.513 2.136 20 0 DEADHO C(CN1CCCCC1)C[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000670985891 540950178 /nfs/dbraw/zinc/95/01/78/540950178.db2.gz LZFYKLPLYBIXMQ-SFHVURJKSA-N 1 3 309.498 2.049 20 0 DEADHO C(CN1CCCCC1)C[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000670985891 540950179 /nfs/dbraw/zinc/95/01/79/540950179.db2.gz LZFYKLPLYBIXMQ-SFHVURJKSA-N 1 3 309.498 2.049 20 0 DEADHO C(CN1CCC[C@H](N2CCOCC2)CC1)C[NH+]1CCCCC1 ZINC000670985891 540950180 /nfs/dbraw/zinc/95/01/80/540950180.db2.gz LZFYKLPLYBIXMQ-SFHVURJKSA-N 1 3 309.498 2.049 20 0 DEADHO C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[C@H]2CN2CCCC2)cc1 ZINC000423359334 296029784 /nfs/dbraw/zinc/02/97/84/296029784.db2.gz OXCRYBGMXWQXDW-PBHICJAKSA-N 1 3 301.434 2.407 20 0 DEADHO Cn1cc(C(C)(C)NCc2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000608060838 361163451 /nfs/dbraw/zinc/16/34/51/361163451.db2.gz SQYTWNAHBVAJLH-UHFFFAOYSA-N 1 3 316.449 2.385 20 0 DEADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]CCCn3cncn3)CC2)C1 ZINC000628213716 366770483 /nfs/dbraw/zinc/77/04/83/366770483.db2.gz UZWDITPPFQUCOX-DOTOQJQBSA-N 1 3 305.470 2.301 20 0 DEADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCCCn3cncn3)CC2)C1 ZINC000628213716 366770491 /nfs/dbraw/zinc/77/04/91/366770491.db2.gz UZWDITPPFQUCOX-DOTOQJQBSA-N 1 3 305.470 2.301 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+]CC2([S@](C)=O)CCC2)cc1 ZINC000619552815 363824460 /nfs/dbraw/zinc/82/44/60/363824460.db2.gz KMRFMNVHPSWICS-QFIPXVFZSA-N 1 3 324.490 2.018 20 0 DEADHO C[NH+](C)CCOc1ccc(CNCC2([S@](C)=O)CCC2)cc1 ZINC000619552815 363824465 /nfs/dbraw/zinc/82/44/65/363824465.db2.gz KMRFMNVHPSWICS-QFIPXVFZSA-N 1 3 324.490 2.018 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000675193125 541300431 /nfs/dbraw/zinc/30/04/31/541300431.db2.gz DKMOPJSIQJNKIQ-BBWFWOEESA-N 1 3 324.513 2.375 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000675193125 541300436 /nfs/dbraw/zinc/30/04/36/541300436.db2.gz DKMOPJSIQJNKIQ-BBWFWOEESA-N 1 3 324.513 2.375 20 0 DEADHO C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)N1CCCCCC1 ZINC000621105468 364256708 /nfs/dbraw/zinc/25/67/08/364256708.db2.gz RWNQHTIROBRSOD-WMZOPIPTSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)N1CCCCCC1 ZINC000621105468 364256711 /nfs/dbraw/zinc/25/67/11/364256711.db2.gz RWNQHTIROBRSOD-WMZOPIPTSA-N 1 3 321.509 2.489 20 0 DEADHO CC1CCC(N2CCN(C(=O)CC[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000621647653 364488140 /nfs/dbraw/zinc/48/81/40/364488140.db2.gz LXMGMWHQRVOCFH-ADKAHSJRSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H](CNC(=O)N1CCCN(C(C)(C)C)CC1)C[NH+]1CCCC1 ZINC000622097527 364662693 /nfs/dbraw/zinc/66/26/93/364662693.db2.gz RVUKGAIQFZVNNL-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO CN(C)C(=O)c1ccc(CNCCCCC[NH+]2CCCC2)[nH]1 ZINC000292956978 223326747 /nfs/dbraw/zinc/32/67/47/223326747.db2.gz JCGFQXLCKKXCNP-UHFFFAOYSA-N 1 3 306.454 2.072 20 0 DEADHO C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000449098953 240050675 /nfs/dbraw/zinc/05/06/75/240050675.db2.gz LLUVKCJKUSNMSR-GRDNDAEWSA-N 1 3 301.434 2.079 20 0 DEADHO COc1cc(C[NH2+]CC2(O)CCN(C)CC2)cc2ccccc21 ZINC000449163873 240140178 /nfs/dbraw/zinc/14/01/78/240140178.db2.gz NTQNGRBQBWLBTE-UHFFFAOYSA-N 1 3 314.429 2.395 20 0 DEADHO C[N@@H+]1CC[C@H](N[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1(C)C ZINC000623521647 365061563 /nfs/dbraw/zinc/06/15/63/365061563.db2.gz ACRJDGFGFGWNGD-HOTGVXAUSA-N 1 3 322.497 2.129 20 0 DEADHO C[N@H+]1CC[C@H](N[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1(C)C ZINC000623521647 365061570 /nfs/dbraw/zinc/06/15/70/365061570.db2.gz ACRJDGFGFGWNGD-HOTGVXAUSA-N 1 3 322.497 2.129 20 0 DEADHO Cn1c(=O)ccc2c1CCC[C@H]2N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623560751 365078599 /nfs/dbraw/zinc/07/85/99/365078599.db2.gz QQFLHIQRMAEHRN-UKRRQHHQSA-N 1 3 303.450 2.225 20 0 DEADHO Cn1c(=O)ccc2c1CCC[C@H]2N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623560751 365078600 /nfs/dbraw/zinc/07/86/00/365078600.db2.gz QQFLHIQRMAEHRN-UKRRQHHQSA-N 1 3 303.450 2.225 20 0 DEADHO C[NH+](C)CCN1CCC(N[C@H]2CCCc3scnc32)CC1 ZINC000623860263 365201641 /nfs/dbraw/zinc/20/16/41/365201641.db2.gz PNBJESJZLUFAHS-AWEZNQCLSA-N 1 3 308.495 2.136 20 0 DEADHO C[N@@H+]1CCCC[C@H](CNC(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000624316383 365376965 /nfs/dbraw/zinc/37/69/65/365376965.db2.gz OWBNVGMPCOCPLH-BRWVUGGUSA-N 1 3 322.497 2.034 20 0 DEADHO C[N@H+]1CCCC[C@H](CNC(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000624316383 365376969 /nfs/dbraw/zinc/37/69/69/365376969.db2.gz OWBNVGMPCOCPLH-BRWVUGGUSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000423447957 299361300 /nfs/dbraw/zinc/36/13/00/299361300.db2.gz DLUZFEKPPXQSAA-XZOAIXRZSA-N 1 3 319.424 2.123 20 0 DEADHO [NH3+][C@H]1CCCCC[C@H]1NCC[C@@H](O)COCc1ccccc1 ZINC000629555210 367247983 /nfs/dbraw/zinc/24/79/83/367247983.db2.gz RWPZHEQQUOYWOM-FGTMMUONSA-N 1 3 306.450 2.204 20 0 DEADHO COc1ccc(C(C)(C)CNC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000629558995 367251685 /nfs/dbraw/zinc/25/16/85/367251685.db2.gz OUSAOEFMGITGHJ-INIZCTEOSA-N 1 3 306.450 2.019 20 0 DEADHO Cc1[nH]c2ccccc2c1CCNC[C@@H](O)C[NH+]1CCCC1 ZINC000629559182 367251942 /nfs/dbraw/zinc/25/19/42/367251942.db2.gz JDLQCNNSDKMVSL-OAHLLOKOSA-N 1 3 301.434 2.065 20 0 DEADHO C[C@@H](c1cccc(Br)c1)N(C)CCOCC[NH3+] ZINC000629580458 367259793 /nfs/dbraw/zinc/25/97/93/367259793.db2.gz CKQCPRVVGGCFCQ-NSHDSACASA-N 1 3 301.228 2.417 20 0 DEADHO COCc1ccc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)o1 ZINC000629650203 367286131 /nfs/dbraw/zinc/28/61/31/367286131.db2.gz QOWHGOVJJBNVAO-ZQIUZPCESA-N 1 3 308.422 2.144 20 0 DEADHO Cc1ccc([C@H](CNC(=O)CN(C)C2CCC2)[NH+](C)C)cc1 ZINC000629953692 367394786 /nfs/dbraw/zinc/39/47/86/367394786.db2.gz ZCQBVCGEGLDPDB-KRWDZBQOSA-N 1 3 303.450 2.198 20 0 DEADHO [NH3+]Cc1cn([C@H]2CCN([C@@H]3CCc4c3cccc4Cl)C2)nn1 ZINC000631844879 368420271 /nfs/dbraw/zinc/42/02/71/368420271.db2.gz OIQPAFZXMIPXTK-BLLLJJGKSA-N 1 3 317.824 2.325 20 0 DEADHO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](n2cc(CN)nn2)C1 ZINC000631845756 368423273 /nfs/dbraw/zinc/42/32/73/368423273.db2.gz KFOJMRUCYFQUBR-CVEARBPZSA-N 1 3 303.385 2.274 20 0 DEADHO CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](n2cc(CN)nn2)C1 ZINC000631845756 368423281 /nfs/dbraw/zinc/42/32/81/368423281.db2.gz KFOJMRUCYFQUBR-CVEARBPZSA-N 1 3 303.385 2.274 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000678284814 541706995 /nfs/dbraw/zinc/70/69/95/541706995.db2.gz IWQNCNHQZXLDRW-MSOLQXFVSA-N 1 3 318.461 2.485 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000678284814 541706999 /nfs/dbraw/zinc/70/69/99/541706999.db2.gz IWQNCNHQZXLDRW-MSOLQXFVSA-N 1 3 318.461 2.485 20 0 DEADHO [NH3+]Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000261546874 203076314 /nfs/dbraw/zinc/07/63/14/203076314.db2.gz LKXLBJUUNLNHQK-GOSISDBHSA-N 1 3 309.413 2.150 20 0 DEADHO C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)C(C)(C)c1ccccc1 ZINC000415085402 296133011 /nfs/dbraw/zinc/13/30/11/296133011.db2.gz QETKOJMIOZBTBC-HZPDHXFCSA-N 1 3 317.477 2.140 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)CC[C@@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000261736244 203104568 /nfs/dbraw/zinc/10/45/68/203104568.db2.gz GGXCXYBZTJCQLK-NVXWUHKLSA-N 1 3 303.450 2.104 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(C)nc2C)CC1 ZINC000678412222 541725605 /nfs/dbraw/zinc/72/56/05/541725605.db2.gz TXDZIWVYNYNFDG-HZPDHXFCSA-N 1 3 304.482 2.375 20 0 DEADHO C[C@H](C[NH3+])C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000262024101 203176302 /nfs/dbraw/zinc/17/63/02/203176302.db2.gz ASIPATCPRRSMCX-WBVHZDCISA-N 1 3 303.450 2.171 20 0 DEADHO C[NH2+]CCC1CCN(C(=O)[C@@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000262047992 203183489 /nfs/dbraw/zinc/18/34/89/203183489.db2.gz MFQRGEGQIDOPMT-WMLDXEAASA-N 1 3 303.450 2.171 20 0 DEADHO C[C@@H](CN1CCOCC1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000678714448 541758021 /nfs/dbraw/zinc/75/80/21/541758021.db2.gz BCHKLNFATFCSHR-SFHVURJKSA-N 1 3 323.525 2.295 20 0 DEADHO CN(C)Cc1ccccc1CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262566535 203333035 /nfs/dbraw/zinc/33/30/35/203333035.db2.gz RTFQTJMGBBVJHQ-PKOBYXMFSA-N 1 3 315.461 2.144 20 0 DEADHO CN(C(=O)C[NH2+]CC1CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000262616077 203351264 /nfs/dbraw/zinc/35/12/64/203351264.db2.gz CVIHNWJDEYYPCV-GOSISDBHSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCc1cnc2c(Cl)cnn2c1 ZINC000453227206 245008799 /nfs/dbraw/zinc/00/87/99/245008799.db2.gz XUCNLMFRKZFWDZ-JMSVASOKSA-N 1 3 321.856 2.244 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCc1cnc2c(Cl)cnn2c1 ZINC000453227206 245008802 /nfs/dbraw/zinc/00/88/02/245008802.db2.gz XUCNLMFRKZFWDZ-JMSVASOKSA-N 1 3 321.856 2.244 20 0 DEADHO CC[NH+]1CCC(NCCc2nc3c(cccc3F)n2C)CC1 ZINC000271687366 209125691 /nfs/dbraw/zinc/12/56/91/209125691.db2.gz JPMFMEJYQIVDNT-UHFFFAOYSA-N 1 3 304.413 2.329 20 0 DEADHO Cc1nn(C(C)C)cc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530248177 284385537 /nfs/dbraw/zinc/38/55/37/284385537.db2.gz HVSKRPJEHIIJGE-SFHVURJKSA-N 1 3 320.481 2.363 20 0 DEADHO C[C@@H](CNC(=O)NCCCC[N@H+](C)C1CC1)N1CCC(C)CC1 ZINC000454640545 246018024 /nfs/dbraw/zinc/01/80/24/246018024.db2.gz KJUQFJDCWDPTDU-INIZCTEOSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H](CNC(=O)NCCCC[N@@H+](C)C1CC1)N1CCC(C)CC1 ZINC000454640545 246018031 /nfs/dbraw/zinc/01/80/31/246018031.db2.gz KJUQFJDCWDPTDU-INIZCTEOSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)/C=C/CN(C)C ZINC000267432664 206064275 /nfs/dbraw/zinc/06/42/75/206064275.db2.gz NCJLIXGWBBQEEM-IGHXGINGSA-N 1 3 315.461 2.131 20 0 DEADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)/C=C/CN(C)C ZINC000267432664 206064278 /nfs/dbraw/zinc/06/42/78/206064278.db2.gz NCJLIXGWBBQEEM-IGHXGINGSA-N 1 3 315.461 2.131 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)/C=C\C[NH+](C)C)C1 ZINC000493075815 249214823 /nfs/dbraw/zinc/21/48/23/249214823.db2.gz AOIKGORSQZOZBB-CGQZWFTASA-N 1 3 315.461 2.085 20 0 DEADHO CCN(CC)CC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000058879870 184130466 /nfs/dbraw/zinc/13/04/66/184130466.db2.gz KERFSDVFOICUCS-UHFFFAOYSA-N 1 3 309.429 2.058 20 0 DEADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCCN1CCCCCC1=O ZINC000422750838 532976441 /nfs/dbraw/zinc/97/64/41/532976441.db2.gz DQGFOVCOYIECJW-SJLPKXTDSA-N 1 3 317.477 2.327 20 0 DEADHO COc1cc(NCCN[C@@H]2CCCC[C@H]2C[NH3+])cc(OC)c1 ZINC000423001825 533031893 /nfs/dbraw/zinc/03/18/93/533031893.db2.gz INXFHIMVFRPALW-SUMWQHHRSA-N 1 3 307.438 2.223 20 0 DEADHO COc1cc(NCC[NH2+][C@@H]2CCCC[C@H]2CN)cc(OC)c1 ZINC000423001825 533031898 /nfs/dbraw/zinc/03/18/98/533031898.db2.gz INXFHIMVFRPALW-SUMWQHHRSA-N 1 3 307.438 2.223 20 0 DEADHO CCN(Cc1ccc(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1)C1CC1 ZINC000351827927 285097787 /nfs/dbraw/zinc/09/77/87/285097787.db2.gz SOIWSDUWBXUBAZ-PBHICJAKSA-N 1 3 315.461 2.480 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000557232564 291863011 /nfs/dbraw/zinc/86/30/11/291863011.db2.gz AEFJLOVOHNHMOA-GVDBMIGSSA-N 1 3 322.497 2.164 20 0 DEADHO CSc1nnc(CCC[NH2+][C@H](C)C[C@@H](C)N)n1CC(C)C ZINC000422725764 533086870 /nfs/dbraw/zinc/08/68/70/533086870.db2.gz CEUWWZOLJBRMSP-CHWSQXEVSA-N 1 3 313.515 2.304 20 0 DEADHO CSc1nnc(CCCN[C@H](C)C[C@@H](C)[NH3+])n1CC(C)C ZINC000422725764 533086876 /nfs/dbraw/zinc/08/68/76/533086876.db2.gz CEUWWZOLJBRMSP-CHWSQXEVSA-N 1 3 313.515 2.304 20 0 DEADHO C[C@@H]([NH2+]CCCN1CCCC1=O)[C@@H]1CCCN(C2CCC2)C1 ZINC000542531974 285232441 /nfs/dbraw/zinc/23/24/41/285232441.db2.gz MZBWQUXYDKFORA-HZPDHXFCSA-N 1 3 307.482 2.242 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000340936670 285286428 /nfs/dbraw/zinc/28/64/28/285286428.db2.gz KCHOGYKHWAPNBH-IRXDYDNUSA-N 1 3 324.513 2.280 20 0 DEADHO CC[C@@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)C1CC1 ZINC000271560760 209014451 /nfs/dbraw/zinc/01/44/51/209014451.db2.gz XODZDRFLVMMLNL-QGZVFWFLSA-N 1 3 303.450 2.256 20 0 DEADHO c1n[nH]cc1CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000289715076 221174098 /nfs/dbraw/zinc/17/40/98/221174098.db2.gz JIMGFMIRWQYMEU-GBESFXJTSA-N 1 3 310.445 2.452 20 0 DEADHO Fc1cccn2cc(CNCC3CC[NH+](C4CC4)CC3)nc12 ZINC000683707192 542485932 /nfs/dbraw/zinc/48/59/32/542485932.db2.gz XZBQXKWRUMONCR-UHFFFAOYSA-N 1 3 302.397 2.437 20 0 DEADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000684138140 542556623 /nfs/dbraw/zinc/55/66/23/542556623.db2.gz JSLKDLQITBJSGB-CVEARBPZSA-N 1 3 324.513 2.280 20 0 DEADHO COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)CO2 ZINC000297598708 533274358 /nfs/dbraw/zinc/27/43/58/533274358.db2.gz HYIZZFCMUHCQHU-PMPSAXMXSA-N 1 3 304.434 2.461 20 0 DEADHO C[C@@H](NC(C)(C)CNC(=O)NC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000417704824 533323351 /nfs/dbraw/zinc/32/33/51/533323351.db2.gz MZKANOMHHQEYBY-GDBMZVCRSA-N 1 3 318.465 2.167 20 0 DEADHO C[C@@H](NCCCOc1ccc(C(F)(F)F)cn1)[C@@H]1CC[NH2+]C1 ZINC000423068354 533387002 /nfs/dbraw/zinc/38/70/02/533387002.db2.gz BLWSZSJYPFUQJH-VXGBXAGGSA-N 1 3 317.355 2.457 20 0 DEADHO COc1cccc(CCCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422939476 533457578 /nfs/dbraw/zinc/45/75/78/533457578.db2.gz FUVDETOIWPHTQL-GBESFXJTSA-N 1 3 318.461 2.375 20 0 DEADHO C[C@@H](NCc1ccccc1OCCN(C)C)[C@@H]1CCCC[NH2+]1 ZINC000422819609 533461506 /nfs/dbraw/zinc/46/15/06/533461506.db2.gz INSKZWLVFBBDCB-WBVHZDCISA-N 1 3 305.466 2.247 20 0 DEADHO COc1cccc(N2CC[C@H](N[C@@H]3CC[NH2+]CC[C@@H]3C)C2)c1 ZINC000422703102 533588154 /nfs/dbraw/zinc/58/81/54/533588154.db2.gz HBANDCXRCMFISS-RLFYNMQTSA-N 1 3 303.450 2.252 20 0 DEADHO COc1cccc(N2CC[C@H]([NH2+][C@@H](C)[C@H]3CCCCN3)C2)c1 ZINC000422701480 533588855 /nfs/dbraw/zinc/58/88/55/533588855.db2.gz BZSDGDTUXJFEPO-RLFYNMQTSA-N 1 3 303.450 2.394 20 0 DEADHO C[C@@H](CCC[NH3+])NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000417667099 533550239 /nfs/dbraw/zinc/55/02/39/533550239.db2.gz HMFXPALVDXQFDU-DOTOQJQBSA-N 1 3 318.465 2.078 20 0 DEADHO C[C@@H](CC[NH+](C)C)NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000299367177 533570031 /nfs/dbraw/zinc/57/00/31/533570031.db2.gz LIEHKAHFPXECRD-INIZCTEOSA-N 1 3 320.481 2.100 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N(CCC[NH3+])Cc2ccccc2)CCN1C ZINC000417757249 533609391 /nfs/dbraw/zinc/60/93/91/533609391.db2.gz SXQYVWZYOADBFU-WBVHZDCISA-N 1 3 318.465 2.030 20 0 DEADHO C[C@H]1CCNCC[C@@H]1[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000422894735 533660619 /nfs/dbraw/zinc/66/06/19/533660619.db2.gz DBOGJCUIKUTZPT-YJBOKZPZSA-N 1 3 302.466 2.024 20 0 DEADHO Cc1ccc(C)c(C[NH+]2CCC(C(=O)NCCN(C)C)CC2)c1 ZINC000299582869 533668904 /nfs/dbraw/zinc/66/89/04/533668904.db2.gz JDODIGKHNRWTBZ-UHFFFAOYSA-N 1 3 317.477 2.193 20 0 DEADHO COc1ccsc1CN(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457740 542726980 /nfs/dbraw/zinc/72/69/80/542726980.db2.gz LQHPDMSDGMMOFP-HNNXBMFYSA-N 1 3 323.506 2.357 20 0 DEADHO CCc1nc(CCN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)no1 ZINC000562748116 292008381 /nfs/dbraw/zinc/00/83/81/292008381.db2.gz WJZVJQMVIGHSMQ-HUUCEWRRSA-N 1 3 300.406 2.257 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000355414056 133025195 /nfs/dbraw/zinc/02/51/95/133025195.db2.gz YJJHBBAYUQSHJB-WNKDZCFJSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000355414056 133025196 /nfs/dbraw/zinc/02/51/96/133025196.db2.gz YJJHBBAYUQSHJB-WNKDZCFJSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](NC(=O)NCCC[NH+]1CCC(C)CC1)C1=CCN(C)CC1 ZINC000357862011 133105726 /nfs/dbraw/zinc/10/57/26/133105726.db2.gz XQRVXBFNHWZAKO-INIZCTEOSA-N 1 3 322.497 2.058 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N[C@@H](C)C2=CCN(C)CC2)CC1 ZINC000358107070 133121464 /nfs/dbraw/zinc/12/14/64/133121464.db2.gz YNKBFZUCSJQQAI-HNNXBMFYSA-N 1 3 322.497 2.201 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000358111410 133121788 /nfs/dbraw/zinc/12/17/88/133121788.db2.gz MCSJQIACUUDDNL-CVEARBPZSA-N 1 3 322.497 2.056 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000358111410 133121789 /nfs/dbraw/zinc/12/17/89/133121789.db2.gz MCSJQIACUUDDNL-CVEARBPZSA-N 1 3 322.497 2.056 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCn2cncn2)CC1 ZINC000368553459 133278096 /nfs/dbraw/zinc/27/80/96/133278096.db2.gz CUQQSBOFYLSZFQ-MRXNPFEDSA-N 1 3 305.470 2.255 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCn2cncn2)CC1 ZINC000368553459 133278097 /nfs/dbraw/zinc/27/80/97/133278097.db2.gz CUQQSBOFYLSZFQ-MRXNPFEDSA-N 1 3 305.470 2.255 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000376571342 133301058 /nfs/dbraw/zinc/30/10/58/133301058.db2.gz AALKZSFPOAXKPC-IAGOWNOFSA-N 1 3 322.497 2.131 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000376571342 133301059 /nfs/dbraw/zinc/30/10/59/133301059.db2.gz AALKZSFPOAXKPC-IAGOWNOFSA-N 1 3 322.497 2.131 20 0 DEADHO O=C1CCCN1C[C@H]1CCCC[N@@H+]1CCCN1CCCCC1 ZINC000372509980 133356405 /nfs/dbraw/zinc/35/64/05/133356405.db2.gz ZSKCWVPIIVUHCK-QGZVFWFLSA-N 1 3 307.482 2.339 20 0 DEADHO O=C1CCCN1C[C@H]1CCCC[N@H+]1CCCN1CCCCC1 ZINC000372509980 133356406 /nfs/dbraw/zinc/35/64/06/133356406.db2.gz ZSKCWVPIIVUHCK-QGZVFWFLSA-N 1 3 307.482 2.339 20 0 DEADHO C[C@@H](CNC(=O)[C@H]1CCCCN1C1CCCC1)[N@H+](C)C1CC1 ZINC000373038040 133375363 /nfs/dbraw/zinc/37/53/63/133375363.db2.gz ZDQLCRHKUJIHGW-WMLDXEAASA-N 1 3 307.482 2.382 20 0 DEADHO C[C@@H](CNC(=O)[C@H]1CCCCN1C1CCCC1)[N@@H+](C)C1CC1 ZINC000373038040 133375364 /nfs/dbraw/zinc/37/53/64/133375364.db2.gz ZDQLCRHKUJIHGW-WMLDXEAASA-N 1 3 307.482 2.382 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C1CC2(CCC2)C1 ZINC000563182347 292036559 /nfs/dbraw/zinc/03/65/59/292036559.db2.gz JXPGLDLNZLTLTM-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C1CC2(CCC2)C1 ZINC000563182347 292036560 /nfs/dbraw/zinc/03/65/60/292036560.db2.gz JXPGLDLNZLTLTM-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)CC[NH2+]C1CC1 ZINC000563410697 292054852 /nfs/dbraw/zinc/05/48/52/292054852.db2.gz JYRKANOHGNWRRN-UHFFFAOYSA-N 1 3 303.450 2.239 20 0 DEADHO c1ncn(-c2cccc(CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)c2)n1 ZINC000563444475 292057669 /nfs/dbraw/zinc/05/76/69/292057669.db2.gz QJQSOHYOZXKCIW-RCCFBDPRSA-N 1 3 311.433 2.278 20 0 DEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000563592406 292064861 /nfs/dbraw/zinc/06/48/61/292064861.db2.gz HWRGCZNGPSPSCO-BZUAXINKSA-N 1 3 324.513 2.171 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000563715953 292070785 /nfs/dbraw/zinc/07/07/85/292070785.db2.gz MEDZWDUNFHAQPX-OFQRWUPVSA-N 1 3 321.440 2.280 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@@H]2CCCCCN2)C1 ZINC000563959882 292081964 /nfs/dbraw/zinc/08/19/64/292081964.db2.gz OCGMNOJNSPUQSI-YVSFHVDLSA-N 1 3 307.482 2.382 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@@H]2CCCCCN2)C1 ZINC000563959882 292081965 /nfs/dbraw/zinc/08/19/65/292081965.db2.gz OCGMNOJNSPUQSI-YVSFHVDLSA-N 1 3 307.482 2.382 20 0 DEADHO CN(C)[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)c1ccc(Cl)cc1 ZINC000564570651 292099858 /nfs/dbraw/zinc/09/98/58/292099858.db2.gz AFONKUMRSCGSDP-ZIAGYGMSSA-N 1 3 311.857 2.432 20 0 DEADHO O[C@H]1CCCC[C@@H]1N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000564825859 292113397 /nfs/dbraw/zinc/11/33/97/292113397.db2.gz NGISJYBIAHZCEV-DFGXFYAUSA-N 1 3 302.418 2.135 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000246209722 145094541 /nfs/dbraw/zinc/09/45/41/145094541.db2.gz FTGWSRDQZZSSLS-KZNAEPCWSA-N 1 3 315.461 2.285 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NC1CC1 ZINC000248395193 145152793 /nfs/dbraw/zinc/15/27/93/145152793.db2.gz IYPINZAKPPLDIJ-QWHZDKJVSA-N 1 3 315.461 2.011 20 0 DEADHO C[C@H](NC(=O)[C@@H](N)C(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261532509 145206483 /nfs/dbraw/zinc/20/64/83/145206483.db2.gz AKOYCHHAXTVUTQ-USXIJHARSA-N 1 3 317.477 2.387 20 0 DEADHO C[C@H](NC(=O)[C@@H](N)C(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261532509 145206484 /nfs/dbraw/zinc/20/64/84/145206484.db2.gz AKOYCHHAXTVUTQ-USXIJHARSA-N 1 3 317.477 2.387 20 0 DEADHO Cc1cc(C)c(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1C ZINC000262047129 145256436 /nfs/dbraw/zinc/25/64/36/145256436.db2.gz PVYIRZHWPGWTPP-GOSISDBHSA-N 1 3 317.477 2.431 20 0 DEADHO C[C@H](C[NH3+])C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000262361157 145278451 /nfs/dbraw/zinc/27/84/51/145278451.db2.gz KKHZEFUIZHATPT-APWZRJJASA-N 1 3 315.461 2.096 20 0 DEADHO COc1cccc(N2CCN(C[C@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000262442090 145284471 /nfs/dbraw/zinc/28/44/71/145284471.db2.gz GVSVCSLENLHCPK-HOTGVXAUSA-N 1 3 303.450 2.205 20 0 DEADHO C[C@H]1C[C@H](NC(=O)C[NH2+]CC2CC2)CCN1Cc1ccccc1 ZINC000262642994 145297493 /nfs/dbraw/zinc/29/74/93/145297493.db2.gz LSHZPHWYUQOAHS-MAUKXSAKSA-N 1 3 315.461 2.155 20 0 DEADHO CC[C@@H](C)[C@@H](N)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000263001510 145317025 /nfs/dbraw/zinc/31/70/25/145317025.db2.gz PWHHETBPQVXUHB-PRHODGIISA-N 1 3 303.328 2.476 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)NC1CCN(CC)CC1 ZINC000342058522 145549304 /nfs/dbraw/zinc/54/93/04/145549304.db2.gz JXVWUEFDZYLLDM-UHFFFAOYSA-N 1 3 312.502 2.282 20 0 DEADHO CC[C@H](C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1)[NH+](CC)CC ZINC000346198801 146036729 /nfs/dbraw/zinc/03/67/29/146036729.db2.gz RTGDNSZMDDDRFT-YYIAUSFCSA-N 1 3 309.498 2.296 20 0 DEADHO O=C(CC[NH2+]C1CC1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000565218762 292148015 /nfs/dbraw/zinc/14/80/15/292148015.db2.gz SJVLQAMKGJCGLV-AWEZNQCLSA-N 1 3 307.463 2.143 20 0 DEADHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1cccc2c[nH]nc21 ZINC000349059493 146345306 /nfs/dbraw/zinc/34/53/06/146345306.db2.gz CFEKWNVFBIYRTL-UHFFFAOYSA-N 1 3 315.465 2.021 20 0 DEADHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1cccc2c[nH]nc21 ZINC000349059493 146345307 /nfs/dbraw/zinc/34/53/07/146345307.db2.gz CFEKWNVFBIYRTL-UHFFFAOYSA-N 1 3 315.465 2.021 20 0 DEADHO CN(C)c1ncc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)s1 ZINC000349124078 146352933 /nfs/dbraw/zinc/35/29/33/146352933.db2.gz ATDILNBSNLEAAO-CQSZACIVSA-N 1 3 308.495 2.373 20 0 DEADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCN3CCCOCC3)CC2)C1 ZINC000349341409 146370576 /nfs/dbraw/zinc/37/05/76/146370576.db2.gz BNQKZKDZDMSFCF-MJGOQNOKSA-N 1 3 323.525 2.341 20 0 DEADHO CC[N@H+](CCCN1CCCC1)Cc1ccc2c(c1)nnn2C ZINC000349404652 146375197 /nfs/dbraw/zinc/37/51/97/146375197.db2.gz GBWNDINLKUKMPP-UHFFFAOYSA-N 1 3 301.438 2.276 20 0 DEADHO CC[N@@H+](CCCN1CCCC1)Cc1ccc2c(c1)nnn2C ZINC000349404652 146375200 /nfs/dbraw/zinc/37/52/00/146375200.db2.gz GBWNDINLKUKMPP-UHFFFAOYSA-N 1 3 301.438 2.276 20 0 DEADHO C[C@@H]1CCN[C@@H](C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000423366763 296585279 /nfs/dbraw/zinc/58/52/79/296585279.db2.gz CWBXPMXHQHIARL-KZNAEPCWSA-N 1 3 321.509 2.489 20 0 DEADHO CC[NH+](CC)CCOCCN[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000349688157 146396571 /nfs/dbraw/zinc/39/65/71/146396571.db2.gz ACBVRGUSQAZHKZ-HNNXBMFYSA-N 1 3 322.449 2.467 20 0 DEADHO CC(=O)Nc1ccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000357041770 147028882 /nfs/dbraw/zinc/02/88/82/147028882.db2.gz DDASVCSVYUIHMO-QGZVFWFLSA-N 1 3 301.434 2.467 20 0 DEADHO C[C@H](C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1)C1C[NH2+]C1 ZINC000357235402 147069135 /nfs/dbraw/zinc/06/91/35/147069135.db2.gz CYNKLZIJNSDNCA-GJZGRUSLSA-N 1 3 315.461 2.184 20 0 DEADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)N1CCCc2ccccc21 ZINC000358501559 147145719 /nfs/dbraw/zinc/14/57/19/147145719.db2.gz ALGLOEFWCIMSKC-UHFFFAOYSA-N 1 3 313.445 2.041 20 0 DEADHO Cc1cccc(NC(=O)[C@H](C)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358522035 147149829 /nfs/dbraw/zinc/14/98/29/147149829.db2.gz ZIHOCINJRURKHF-HNNXBMFYSA-N 1 3 301.434 2.398 20 0 DEADHO C[C@@H](Cc1ccccc1C(F)(F)F)NC[C@@H](O)C[NH+](C)C ZINC000360841013 147394130 /nfs/dbraw/zinc/39/41/30/147394130.db2.gz PXESMHNGUOQFEV-WCQYABFASA-N 1 3 304.356 2.149 20 0 DEADHO CC(C)[C@]1(C)C[C@@H]1NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000565701541 292176699 /nfs/dbraw/zinc/17/66/99/292176699.db2.gz IRRCLZTVBLWABE-YTQUADARSA-N 1 3 316.445 2.174 20 0 DEADHO C[C@H](C[C@H]1CCCCC[NH2+]1)Nc1ccc(N2CCNCC2)cn1 ZINC000566088010 292204025 /nfs/dbraw/zinc/20/40/25/292204025.db2.gz KWDBOPAQYNNLBY-HZPDHXFCSA-N 1 3 317.481 2.214 20 0 DEADHO O[C@@H]1CCCC[C@H]1CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000566088792 292204071 /nfs/dbraw/zinc/20/40/71/292204071.db2.gz NGJBXPSRWLGOMY-RMRDIRSESA-N 1 3 316.445 2.383 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)NC[C@H]2CCCN2CC)CC1 ZINC000073967941 401726663 /nfs/dbraw/zinc/72/66/63/401726663.db2.gz ZNZVTQUXVADHGY-MRXNPFEDSA-N 1 3 310.486 2.034 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000111882961 401727079 /nfs/dbraw/zinc/72/70/79/401727079.db2.gz DFUZJXBHNPAFGX-MRXNPFEDSA-N 1 3 310.486 2.033 20 0 DEADHO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000074181264 401732466 /nfs/dbraw/zinc/73/24/66/401732466.db2.gz NPDBXXSMDJGFQH-MRXNPFEDSA-N 1 3 303.450 2.162 20 0 DEADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000074181264 401732468 /nfs/dbraw/zinc/73/24/68/401732468.db2.gz NPDBXXSMDJGFQH-MRXNPFEDSA-N 1 3 303.450 2.162 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000074301528 401735450 /nfs/dbraw/zinc/73/54/50/401735450.db2.gz VGXIXNYKEFJLNI-GJZGRUSLSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000127628397 401742659 /nfs/dbraw/zinc/74/26/59/401742659.db2.gz OAGAFXGNDFZCEC-DLBZAZTESA-N 1 3 324.513 2.425 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000127628397 401742660 /nfs/dbraw/zinc/74/26/60/401742660.db2.gz OAGAFXGNDFZCEC-DLBZAZTESA-N 1 3 324.513 2.425 20 0 DEADHO CCC(CC)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000126482297 401696450 /nfs/dbraw/zinc/69/64/50/401696450.db2.gz MTGBCGKFXSLESH-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N(C)C ZINC000126785878 401708786 /nfs/dbraw/zinc/70/87/86/401708786.db2.gz JUDGKIPEFNULMB-XIRDDKMYSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N(C)C ZINC000126785878 401708787 /nfs/dbraw/zinc/70/87/87/401708787.db2.gz JUDGKIPEFNULMB-XIRDDKMYSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)C(C)C ZINC000126983471 401715716 /nfs/dbraw/zinc/71/57/16/401715716.db2.gz MCWULZIXIQRAPC-CVEARBPZSA-N 1 3 324.513 2.420 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000111474091 401716816 /nfs/dbraw/zinc/71/68/16/401716816.db2.gz IIPJYLICNUVAKD-MRXNPFEDSA-N 1 3 324.513 2.423 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000113901545 401786856 /nfs/dbraw/zinc/78/68/56/401786856.db2.gz RECZERHAMNSLJA-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000113901545 401786858 /nfs/dbraw/zinc/78/68/58/401786858.db2.gz RECZERHAMNSLJA-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CCN1CCC(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000116522343 401854211 /nfs/dbraw/zinc/85/42/11/401854211.db2.gz TVMDKIUPPDIKBO-HNNXBMFYSA-N 1 3 312.502 2.136 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCCO2)CC1 ZINC000088669083 401933967 /nfs/dbraw/zinc/93/39/67/401933967.db2.gz YKYRSNJVOAMJBN-QGZVFWFLSA-N 1 3 303.450 2.097 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCN1CCc2sccc2C1 ZINC000132859795 401875818 /nfs/dbraw/zinc/87/58/18/401875818.db2.gz MHDBBEMGDBBQPX-IIAWOOMASA-N 1 3 307.507 2.425 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCN1CCc2sccc2C1 ZINC000132859795 401875822 /nfs/dbraw/zinc/87/58/22/401875822.db2.gz MHDBBEMGDBBQPX-IIAWOOMASA-N 1 3 307.507 2.425 20 0 DEADHO CC1CCN(CCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000042909540 401936132 /nfs/dbraw/zinc/93/61/32/401936132.db2.gz OECFAUCLJGWMKS-UHFFFAOYSA-N 1 3 324.513 2.327 20 0 DEADHO CN(CCCOc1ccc2c(c1)OCO2)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842212 401911784 /nfs/dbraw/zinc/91/17/84/401911784.db2.gz BYOJLUUMJHOLPR-OAHLLOKOSA-N 1 3 320.433 2.458 20 0 DEADHO CN(CCCOc1ccc2c(c1)OCO2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842212 401911786 /nfs/dbraw/zinc/91/17/86/401911786.db2.gz BYOJLUUMJHOLPR-OAHLLOKOSA-N 1 3 320.433 2.458 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCNC(=O)CC1CCCCC1 ZINC000089666712 401957102 /nfs/dbraw/zinc/95/71/02/401957102.db2.gz WQHCBHQDRNIQKH-VYDXJSESSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCNC(=O)CC1CCCCC1 ZINC000089666712 401957105 /nfs/dbraw/zinc/95/71/05/401957105.db2.gz WQHCBHQDRNIQKH-VYDXJSESSA-N 1 3 309.498 2.391 20 0 DEADHO CC[NH+](CC)CCCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000136249971 401963745 /nfs/dbraw/zinc/96/37/45/401963745.db2.gz BDOQXXRCJVUQPJ-UHFFFAOYSA-N 1 3 324.513 2.378 20 0 DEADHO C[NH+]1CCC(NCCOc2ccc(C(F)(F)F)cn2)CC1 ZINC000090409681 401982134 /nfs/dbraw/zinc/98/21/34/401982134.db2.gz VDEYFUQDVWAAAQ-UHFFFAOYSA-N 1 3 303.328 2.163 20 0 DEADHO C[N@H+](CCCNC(=O)NCCN1CCCCC1)C1CCCCC1 ZINC000121474404 402038419 /nfs/dbraw/zinc/03/84/19/402038419.db2.gz DMCMKXUMJQBMSG-UHFFFAOYSA-N 1 3 324.513 2.426 20 0 DEADHO C[N@@H+](CCCNC(=O)NCCN1CCCCC1)C1CCCCC1 ZINC000121474404 402038424 /nfs/dbraw/zinc/03/84/24/402038424.db2.gz DMCMKXUMJQBMSG-UHFFFAOYSA-N 1 3 324.513 2.426 20 0 DEADHO CCN(CC)CC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061567016 402108156 /nfs/dbraw/zinc/10/81/56/402108156.db2.gz FRCAAZBSEUGJCF-UHFFFAOYSA-N 1 3 323.506 2.418 20 0 DEADHO CCN(CC)CC(=O)NC1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000063759231 402114860 /nfs/dbraw/zinc/11/48/60/402114860.db2.gz DIIGKHAHDOKFCG-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO CC1(C)CC(NC(=O)N2CC[C@@H](N3CCCC3)C2)CC(C)(C)[NH2+]1 ZINC000066173777 402129642 /nfs/dbraw/zinc/12/96/42/402129642.db2.gz JYUDAHBYOGEOBW-OAHLLOKOSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H](CNC(=O)NCCC1CC[NH+](C)CC1)N1CCC(C)CC1 ZINC000103311257 402184792 /nfs/dbraw/zinc/18/47/92/402184792.db2.gz PICFHKPEPWHDGC-INIZCTEOSA-N 1 3 324.513 2.138 20 0 DEADHO CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](C)N[C@H](C)C2)cc1)C1CC1 ZINC000153998300 402185967 /nfs/dbraw/zinc/18/59/67/402185967.db2.gz GIQQXEMRMBFPQF-HUUCEWRRSA-N 1 3 315.461 2.493 20 0 DEADHO CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](C)N[C@H](C)C2)cc1)C1CC1 ZINC000153998300 402185970 /nfs/dbraw/zinc/18/59/70/402185970.db2.gz GIQQXEMRMBFPQF-HUUCEWRRSA-N 1 3 315.461 2.493 20 0 DEADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(CS(C)(=O)=O)cc1 ZINC000125740384 402247996 /nfs/dbraw/zinc/24/79/96/402247996.db2.gz ODNBPBQUMRWUPY-JKIFEVAISA-N 1 3 324.490 2.050 20 0 DEADHO C[NH+](C)Cc1ccc(CNC(=O)[C@H](C2CC2)N2CCCC2)cc1 ZINC000125847406 402252972 /nfs/dbraw/zinc/25/29/72/402252972.db2.gz XBVIOMOOYKWJMN-SFHVURJKSA-N 1 3 315.461 2.239 20 0 DEADHO CC[C@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)N(C)C ZINC000125008135 402208855 /nfs/dbraw/zinc/20/88/55/402208855.db2.gz CGZQFFYBENQEOF-MRXNPFEDSA-N 1 3 323.506 2.417 20 0 DEADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)CCN(C)C ZINC000176198478 402289286 /nfs/dbraw/zinc/28/92/86/402289286.db2.gz DUZROVAIURGZJN-UHFFFAOYSA-N 1 3 320.481 2.230 20 0 DEADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)CCN(C)C ZINC000176198478 402289291 /nfs/dbraw/zinc/28/92/91/402289291.db2.gz DUZROVAIURGZJN-UHFFFAOYSA-N 1 3 320.481 2.230 20 0 DEADHO CCC[C@H](N)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000236883100 402386855 /nfs/dbraw/zinc/38/68/55/402386855.db2.gz FQLXXTZOTFTLTN-KRWDZBQOSA-N 1 3 303.450 2.416 20 0 DEADHO CC(C)C[C@H](N)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000236654742 402371827 /nfs/dbraw/zinc/37/18/27/402371827.db2.gz ZCHKBTPBNVSZTJ-KRWDZBQOSA-N 1 3 309.498 2.474 20 0 DEADHO CC(C)C[C@H](N)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000236654742 402371828 /nfs/dbraw/zinc/37/18/28/402371828.db2.gz ZCHKBTPBNVSZTJ-KRWDZBQOSA-N 1 3 309.498 2.474 20 0 DEADHO CCCC[C@@H](N)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000236691480 402375116 /nfs/dbraw/zinc/37/51/16/402375116.db2.gz OUADQJDWPRYVOW-ZWKOTPCHSA-N 1 3 317.477 2.484 20 0 DEADHO CCCC[C@@H](N)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000236691480 402375119 /nfs/dbraw/zinc/37/51/19/402375119.db2.gz OUADQJDWPRYVOW-ZWKOTPCHSA-N 1 3 317.477 2.484 20 0 DEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)CCN(C)C1CC1 ZINC000185229117 402336987 /nfs/dbraw/zinc/33/69/87/402336987.db2.gz VVSXHGCXBWWWKL-OWCLPIDISA-N 1 3 324.513 2.088 20 0 DEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)CCN(C)C1CC1 ZINC000185229117 402336991 /nfs/dbraw/zinc/33/69/91/402336991.db2.gz VVSXHGCXBWWWKL-OWCLPIDISA-N 1 3 324.513 2.088 20 0 DEADHO C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000237155693 402397618 /nfs/dbraw/zinc/39/76/18/402397618.db2.gz XIWWWTBDRHTFQQ-HOCLYGCPSA-N 1 3 321.440 2.009 20 0 DEADHO C[NH2+]C[C@@H](C)C(=O)NC[C@H](C(C)C)N1CCc2ccccc2C1 ZINC000237206324 402399426 /nfs/dbraw/zinc/39/94/26/402399426.db2.gz PBXVKYUBIHEDSO-CRAIPNDOSA-N 1 3 317.477 2.041 20 0 DEADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000237517080 402410662 /nfs/dbraw/zinc/41/06/62/402410662.db2.gz KLBRRPFAYMILIU-ULQDDVLXSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000237517080 402410664 /nfs/dbraw/zinc/41/06/64/402410664.db2.gz KLBRRPFAYMILIU-ULQDDVLXSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H](CNC(=O)C[C@@H](N)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000237560317 402412740 /nfs/dbraw/zinc/41/27/40/402412740.db2.gz QEHKRWAYYBTQTN-HLLBOEOZSA-N 1 3 303.450 2.313 20 0 DEADHO C[C@@H](CNC(=O)C[C@@H](N)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000237560317 402412743 /nfs/dbraw/zinc/41/27/43/402412743.db2.gz QEHKRWAYYBTQTN-HLLBOEOZSA-N 1 3 303.450 2.313 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H](N)Cc1ccccc1 ZINC000237668833 402418016 /nfs/dbraw/zinc/41/80/16/402418016.db2.gz IEATWIPEDCYGKM-AEFFLSMTSA-N 1 3 317.477 2.327 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H](N)Cc1ccccc1 ZINC000237668833 402418018 /nfs/dbraw/zinc/41/80/18/402418018.db2.gz IEATWIPEDCYGKM-AEFFLSMTSA-N 1 3 317.477 2.327 20 0 DEADHO N[C@@H](CC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000237874292 402423983 /nfs/dbraw/zinc/42/39/83/402423983.db2.gz NPSDEKMQHQXFNK-IRXDYDNUSA-N 1 3 301.434 2.163 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000237880620 402424506 /nfs/dbraw/zinc/42/45/06/402424506.db2.gz NLDZOCFRWNSNPM-IAGOWNOFSA-N 1 3 301.434 2.000 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)NCC1=CC[NH2+]CC1 ZINC000186384799 402427240 /nfs/dbraw/zinc/42/72/40/402427240.db2.gz RLQRRFAQGDOIQJ-UHFFFAOYSA-N 1 3 313.401 2.144 20 0 DEADHO CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@@H](C)N)ccc21 ZINC000166167216 402481858 /nfs/dbraw/zinc/48/18/58/402481858.db2.gz XYCQJCHCCARTGM-CYBMUJFWSA-N 1 3 302.422 2.269 20 0 DEADHO Cc1ccc([C@H](CNC(=O)C[C@@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000166330217 402483745 /nfs/dbraw/zinc/48/37/45/402483745.db2.gz QWQRYJVKRRMLMF-ROUUACIJSA-N 1 3 315.461 2.390 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000166321835 402484066 /nfs/dbraw/zinc/48/40/66/402484066.db2.gz VFOVVQWUYQGWPF-QZTJIDSGSA-N 1 3 315.461 2.248 20 0 DEADHO CCC[C@@H](N)C(=O)NC1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000169121508 402500546 /nfs/dbraw/zinc/50/05/46/402500546.db2.gz RTWXAFHWLNNHEB-FZBAJKBMSA-N 1 3 317.477 2.387 20 0 DEADHO CCC[C@@H](N)C(=O)NC1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000169121508 402500548 /nfs/dbraw/zinc/50/05/48/402500548.db2.gz RTWXAFHWLNNHEB-FZBAJKBMSA-N 1 3 317.477 2.387 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000246745106 402543342 /nfs/dbraw/zinc/54/33/42/402543342.db2.gz YXKNALUEFZVOPT-BBWFWOEESA-N 1 3 324.513 2.233 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000246745106 402543345 /nfs/dbraw/zinc/54/33/45/402543345.db2.gz YXKNALUEFZVOPT-BBWFWOEESA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000178841254 402545806 /nfs/dbraw/zinc/54/58/06/402545806.db2.gz ULFXERJTYLGXKF-AEFFLSMTSA-N 1 3 315.461 2.252 20 0 DEADHO CC(C)C[C@H](N)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000178857994 402547478 /nfs/dbraw/zinc/54/74/78/402547478.db2.gz IAXTXXXGLBKDPF-RDJZCZTQSA-N 1 3 305.466 2.387 20 0 DEADHO CC(C)C[C@H](N)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000178857994 402547480 /nfs/dbraw/zinc/54/74/80/402547480.db2.gz IAXTXXXGLBKDPF-RDJZCZTQSA-N 1 3 305.466 2.387 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000246930806 402549979 /nfs/dbraw/zinc/54/99/79/402549979.db2.gz MPHLLHXESXRCPJ-OWCLPIDISA-N 1 3 322.497 2.175 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000246930806 402549980 /nfs/dbraw/zinc/54/99/80/402549980.db2.gz MPHLLHXESXRCPJ-OWCLPIDISA-N 1 3 322.497 2.175 20 0 DEADHO CN1CCC[C@H](CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000247095103 402556795 /nfs/dbraw/zinc/55/67/95/402556795.db2.gz JHVDHTLXZDJPEX-NVXWUHKLSA-N 1 3 324.513 2.138 20 0 DEADHO CCN(CCC[NH+](C)C)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000188936988 402528323 /nfs/dbraw/zinc/52/83/23/402528323.db2.gz URUJPNGHZKPPRF-HOTGVXAUSA-N 1 3 312.502 2.090 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)N1CCCCC1 ZINC000246546803 402535840 /nfs/dbraw/zinc/53/58/40/402535840.db2.gz YKEOMCYFBYHXBL-BRWVUGGUSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H](NCCn1cccn1)c1cccc(OCC[NH+](C)C)c1 ZINC000180431754 402616376 /nfs/dbraw/zinc/61/63/76/402616376.db2.gz OPRWFGHEIXMVFV-OAHLLOKOSA-N 1 3 302.422 2.174 20 0 DEADHO C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000248995984 402617065 /nfs/dbraw/zinc/61/70/65/402617065.db2.gz HUUVPJSXNAGEKN-OVWQWFNUSA-N 1 3 317.477 2.481 20 0 DEADHO C[C@H]1CN(CCCC[NH2+]Cc2cnn3ccccc23)C[C@H](C)O1 ZINC000171763453 402619633 /nfs/dbraw/zinc/61/96/33/402619633.db2.gz QAYNEAXICUVXIW-HOTGVXAUSA-N 1 3 316.449 2.313 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](NCCOC(F)(F)F)[C@@H](C)C1 ZINC000249103304 402620737 /nfs/dbraw/zinc/62/07/37/402620737.db2.gz PXKMEPBREAMGNE-STQMWFEESA-N 1 3 312.376 2.249 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](NCCOC(F)(F)F)[C@@H](C)C1 ZINC000249103304 402620739 /nfs/dbraw/zinc/62/07/39/402620739.db2.gz PXKMEPBREAMGNE-STQMWFEESA-N 1 3 312.376 2.249 20 0 DEADHO Cc1nccnc1[C@H](C)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000249174474 402622910 /nfs/dbraw/zinc/62/29/10/402622910.db2.gz DMCPZWIVIFPMBA-KKUMJFAQSA-N 1 3 306.454 2.325 20 0 DEADHO Cc1ccc(C(=O)NCCN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000249745773 402640012 /nfs/dbraw/zinc/64/00/12/402640012.db2.gz ZMYYRYWEAZRNNR-HLLBOEOZSA-N 1 3 303.450 2.043 20 0 DEADHO Cc1ccc(C(=O)NCCN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000249745773 402640014 /nfs/dbraw/zinc/64/00/14/402640014.db2.gz ZMYYRYWEAZRNNR-HLLBOEOZSA-N 1 3 303.450 2.043 20 0 DEADHO CCN1CCN(CCCC[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000181492935 402647361 /nfs/dbraw/zinc/64/73/61/402647361.db2.gz SSNHCAGVUOMSDG-KSZLIROESA-N 1 3 323.525 2.197 20 0 DEADHO CC[C@H](C)[C@H]([NH3+])C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000182687688 402708775 /nfs/dbraw/zinc/70/87/75/402708775.db2.gz MBZPVIZBNUPOGE-ZQIUZPCESA-N 1 3 318.465 2.097 20 0 DEADHO CC[NH+](CC)CC1CCN(C(=O)[C@@H](CN)c2ccccc2)CC1 ZINC000261655611 402715471 /nfs/dbraw/zinc/71/54/71/402715471.db2.gz FUZASLNSVDJWSS-SFHVURJKSA-N 1 3 317.477 2.309 20 0 DEADHO CC[NH+](CC)[C@H]1CCN(C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000174690772 402752169 /nfs/dbraw/zinc/75/21/69/402752169.db2.gz HGCHBNFIOWLASN-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C[C@@H]1C ZINC000414196381 296659517 /nfs/dbraw/zinc/65/95/17/296659517.db2.gz OUFNHMGSGPVEMD-FGTMMUONSA-N 1 3 323.525 2.197 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)[C@H](N)CCSC)c1ccccc1 ZINC000263952917 402823943 /nfs/dbraw/zinc/82/39/43/402823943.db2.gz ZTDPMJLROARUKX-HZPDHXFCSA-N 1 3 323.506 2.266 20 0 DEADHO C[C@H](NC(=O)c1ccc(CN(C)C)cc1)C(C)(C)C[NH+](C)C ZINC000175795239 402833572 /nfs/dbraw/zinc/83/35/72/402833572.db2.gz INHRQBXZSKOBNX-AWEZNQCLSA-N 1 3 305.466 2.454 20 0 DEADHO CN(C)C/C=C/C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000265661279 402937902 /nfs/dbraw/zinc/93/79/02/402937902.db2.gz RADQIQOQKOLVJQ-RMKNXTFCSA-N 1 3 316.449 2.249 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272230551 402912416 /nfs/dbraw/zinc/91/24/16/402912416.db2.gz DUNRLONXRGLVCA-SJLPKXTDSA-N 1 3 317.477 2.355 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272230551 402912419 /nfs/dbraw/zinc/91/24/19/402912419.db2.gz DUNRLONXRGLVCA-SJLPKXTDSA-N 1 3 317.477 2.355 20 0 DEADHO C[C@H](NC(=O)/C=C/CN(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272237571 402913121 /nfs/dbraw/zinc/91/31/21/402913121.db2.gz FUJYTKHSOWKJIA-IGHXGINGSA-N 1 3 315.461 2.131 20 0 DEADHO C[C@H](NC(=O)/C=C/CN(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272237571 402913123 /nfs/dbraw/zinc/91/31/23/402913123.db2.gz FUJYTKHSOWKJIA-IGHXGINGSA-N 1 3 315.461 2.131 20 0 DEADHO C[C@H]([NH2+]Cc1cc(=O)c(O)co1)[C@@H]1CCCN(C2CCC2)C1 ZINC000273279546 402990199 /nfs/dbraw/zinc/99/01/99/402990199.db2.gz NPUMNVACBAULEX-QWHCGFSZSA-N 1 3 306.406 2.088 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(OC)nc2)[C@@H](C)C1 ZINC000268780269 403113275 /nfs/dbraw/zinc/11/32/75/403113275.db2.gz XLDZVXKAYBDWBC-RDJZCZTQSA-N 1 3 321.465 2.317 20 0 DEADHO CC[NH+](CC)CC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000282956693 403163972 /nfs/dbraw/zinc/16/39/72/403163972.db2.gz NTMYVIVHAWTAJB-HNNXBMFYSA-N 1 3 311.857 2.401 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000282956693 403163975 /nfs/dbraw/zinc/16/39/75/403163975.db2.gz NTMYVIVHAWTAJB-HNNXBMFYSA-N 1 3 311.857 2.401 20 0 DEADHO COc1ccc(C[C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000282362192 403146654 /nfs/dbraw/zinc/14/66/54/403146654.db2.gz PUXOBVCSEMBUJC-MRXNPFEDSA-N 1 3 319.493 2.242 20 0 DEADHO CCN(C)C(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000276177982 403151589 /nfs/dbraw/zinc/15/15/89/403151589.db2.gz GIFPSVBKQHCOKL-HZPDHXFCSA-N 1 3 317.477 2.211 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000298089157 403319048 /nfs/dbraw/zinc/31/90/48/403319048.db2.gz SEXWRIUVRLPVFE-SFHVURJKSA-N 1 3 315.461 2.497 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)N[C@H](CN(C)C)c2ccccc2)CCC[N@@H+]1C ZINC000345401828 403319438 /nfs/dbraw/zinc/31/94/38/403319438.db2.gz BQKUNVJUXWPBKW-HYVNUMGLSA-N 1 3 318.465 2.071 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)N[C@H](CN(C)C)c2ccccc2)CCC[N@H+]1C ZINC000345401828 403319439 /nfs/dbraw/zinc/31/94/39/403319439.db2.gz BQKUNVJUXWPBKW-HYVNUMGLSA-N 1 3 318.465 2.071 20 0 DEADHO CC[NH+](CC)Cc1cccc(CNC[C@H](C)S(C)(=O)=O)c1 ZINC000566850668 292272349 /nfs/dbraw/zinc/27/23/49/292272349.db2.gz NXSDQDZOUCRMHA-AWEZNQCLSA-N 1 3 312.479 2.051 20 0 DEADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H](N)CC(F)F)c1 ZINC000345710186 403449002 /nfs/dbraw/zinc/44/90/02/403449002.db2.gz KNIKMWDSICUSPI-AWEZNQCLSA-N 1 3 313.392 2.127 20 0 DEADHO CN1CCC(Oc2ccc(C[NH2+]CC3(C)COC3)cc2)CC1 ZINC000286205803 403472308 /nfs/dbraw/zinc/47/23/08/403472308.db2.gz YECVWGBOMDPORP-UHFFFAOYSA-N 1 3 304.434 2.286 20 0 DEADHO C[C@@H]1[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CCCN1C ZINC000345778001 403481063 /nfs/dbraw/zinc/48/10/63/403481063.db2.gz KSXNCKNETLEGPT-IXDOHACOSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000345898903 403524963 /nfs/dbraw/zinc/52/49/63/403524963.db2.gz GHNKFGBFBVTAAH-BBWFWOEESA-N 1 3 307.482 2.336 20 0 DEADHO COC(=O)c1cc(CNCCCCC[NH+]2CCCC2)n(C)c1C ZINC000293652326 403528669 /nfs/dbraw/zinc/52/86/69/403528669.db2.gz NDZATVONLOUZNN-UHFFFAOYSA-N 1 3 321.465 2.476 20 0 DEADHO CC[NH+](CC)C[C@@H](C)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000339945929 403501649 /nfs/dbraw/zinc/50/16/49/403501649.db2.gz VGJDSHIMRBCSEM-OAHLLOKOSA-N 1 3 320.481 2.278 20 0 DEADHO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(CN(C)C)cc1 ZINC000287397000 403590499 /nfs/dbraw/zinc/59/04/99/403590499.db2.gz YREDZFGJDIUSBK-YJBOKZPZSA-N 1 3 315.461 2.447 20 0 DEADHO O[C@H]1C[NH2+]C[C@@H]1CNCCCCc1cccc(C(F)(F)F)c1 ZINC000345992333 403562383 /nfs/dbraw/zinc/56/23/83/403562383.db2.gz BPHODWOIVKYJJJ-ZFWWWQNUSA-N 1 3 316.367 2.198 20 0 DEADHO CCc1ccc([C@H](CNC(=O)N[C@@H](C)C[NH+](C)C)N(C)C)cc1 ZINC000287278514 403565847 /nfs/dbraw/zinc/56/58/47/403565847.db2.gz VHUYHLUHHDYVKV-YOEHRIQHSA-N 1 3 320.481 2.101 20 0 DEADHO CC(C)N1CCCN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000332382900 403566099 /nfs/dbraw/zinc/56/60/99/403566099.db2.gz VHZVQEHTUWKJTM-INIZCTEOSA-N 1 3 310.486 2.020 20 0 DEADHO C[C@@H](C(=O)N1CC[N@@H+]([C@H]2C[C@H]2C)C[C@H](C)C1)N1CCCCCC1 ZINC000346179010 403577460 /nfs/dbraw/zinc/57/74/60/403577460.db2.gz GFVZVDXIUQWRPT-MHORFTMASA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H](C(=O)N1CC[N@H+]([C@H]2C[C@H]2C)C[C@H](C)C1)N1CCCCCC1 ZINC000346179010 403577464 /nfs/dbraw/zinc/57/74/64/403577464.db2.gz GFVZVDXIUQWRPT-MHORFTMASA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H]1C[C@H]1N1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@@H](C)C1 ZINC000346213682 403579738 /nfs/dbraw/zinc/57/97/38/403579738.db2.gz YRFUVDINZNNCGR-HDMKZQKVSA-N 1 3 319.493 2.050 20 0 DEADHO COc1ccc([C@@H]2CCNC[C@@H]2[NH2+][C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000423338364 286362984 /nfs/dbraw/zinc/36/29/84/286362984.db2.gz RLCJHCGKFUVTFJ-FXECBMLZSA-N 1 3 317.477 2.213 20 0 DEADHO CC[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C)C1CC1 ZINC000347271362 403644024 /nfs/dbraw/zinc/64/40/24/403644024.db2.gz MQXQRIMZBITNEV-ROUUACIJSA-N 1 3 317.477 2.054 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)N(CC)CC ZINC000347384833 403688430 /nfs/dbraw/zinc/68/84/30/403688430.db2.gz ZGKVAYUHVJESOV-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)N(CC)CC ZINC000347384833 403688433 /nfs/dbraw/zinc/68/84/33/403688433.db2.gz ZGKVAYUHVJESOV-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)(C)[S@@](=O)CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000294323386 403703606 /nfs/dbraw/zinc/70/36/06/403703606.db2.gz WXQHSMLFMBYQFD-NRFANRHFSA-N 1 3 309.479 2.187 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CCN(C)[C@H](C)C1)[N@@H+]1CCCC[C@H]1C ZINC000340935085 403704342 /nfs/dbraw/zinc/70/43/42/403704342.db2.gz HCJIMRBFFVLHOU-KLHDSHLOSA-N 1 3 310.486 2.031 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CCN(C)[C@H](C)C1)[N@H+]1CCCC[C@H]1C ZINC000340935085 403704347 /nfs/dbraw/zinc/70/43/47/403704347.db2.gz HCJIMRBFFVLHOU-KLHDSHLOSA-N 1 3 310.486 2.031 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc3c(c2)CNC3)C1 ZINC000347535562 403744977 /nfs/dbraw/zinc/74/49/77/403744977.db2.gz YPYPXLAYKJTIMM-AWEZNQCLSA-N 1 3 301.434 2.094 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc3c(c2)CNC3)C1 ZINC000347535562 403744981 /nfs/dbraw/zinc/74/49/81/403744981.db2.gz YPYPXLAYKJTIMM-AWEZNQCLSA-N 1 3 301.434 2.094 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@@H]2CCCN(C)[C@H]2C)C1 ZINC000343841337 403755152 /nfs/dbraw/zinc/75/51/52/403755152.db2.gz RTLLMHXNXHMBCE-IXDOHACOSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H]2CCCN(C)[C@H]2C)C1 ZINC000343841337 403755157 /nfs/dbraw/zinc/75/51/57/403755157.db2.gz RTLLMHXNXHMBCE-IXDOHACOSA-N 1 3 324.513 2.280 20 0 DEADHO CCC[C@@H]1CN(CC[C@@H]2CCCC[N@@H+]2C)CCN1CCOC ZINC000347577422 403759818 /nfs/dbraw/zinc/75/98/18/403759818.db2.gz AMMPTTWTPDTICC-ZWKOTPCHSA-N 1 3 311.514 2.294 20 0 DEADHO CCC[C@@H]1CN(CC[C@@H]2CCCC[N@H+]2C)CCN1CCOC ZINC000347577422 403759824 /nfs/dbraw/zinc/75/98/24/403759824.db2.gz AMMPTTWTPDTICC-ZWKOTPCHSA-N 1 3 311.514 2.294 20 0 DEADHO C[C@H](NC1CC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000295287730 403832091 /nfs/dbraw/zinc/83/20/91/403832091.db2.gz WVIHOUFPBIDSQN-MPGHIAIKSA-N 1 3 315.461 2.154 20 0 DEADHO C[C@H](NC1CC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000295287730 403832101 /nfs/dbraw/zinc/83/21/01/403832101.db2.gz WVIHOUFPBIDSQN-MPGHIAIKSA-N 1 3 315.461 2.154 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000341110204 403778644 /nfs/dbraw/zinc/77/86/44/403778644.db2.gz VCXRFBDFTNQKCL-BRWVUGGUSA-N 1 3 324.513 2.423 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000341110204 403778649 /nfs/dbraw/zinc/77/86/49/403778649.db2.gz VCXRFBDFTNQKCL-BRWVUGGUSA-N 1 3 324.513 2.423 20 0 DEADHO CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1ccncc1OCCN(C)C ZINC000343930686 403797599 /nfs/dbraw/zinc/79/75/99/403797599.db2.gz MEDMMSMNKHRAFA-SJORKVTESA-N 1 3 321.465 2.317 20 0 DEADHO COc1cccc([C@H](C)[NH2+]C[C@H](O)CN2CCC(C)CC2)c1 ZINC000304731569 403800421 /nfs/dbraw/zinc/80/04/21/403800421.db2.gz RFENUZWROYFFLU-RDJZCZTQSA-N 1 3 306.450 2.439 20 0 DEADHO CC(C)(CC(N)=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411529679 403883018 /nfs/dbraw/zinc/88/30/18/403883018.db2.gz UVYVNIMFWKWEAR-UHFFFAOYSA-N 1 3 303.450 2.416 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](NCCc2cncs2)[C@@H](C)C1 ZINC000411550726 403891810 /nfs/dbraw/zinc/89/18/10/403891810.db2.gz LJSBYQPHQWUYJF-HOCLYGCPSA-N 1 3 311.495 2.412 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](NCCc2cncs2)[C@@H](C)C1 ZINC000411550726 403891817 /nfs/dbraw/zinc/89/18/17/403891817.db2.gz LJSBYQPHQWUYJF-HOCLYGCPSA-N 1 3 311.495 2.412 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccccc1CN(C)C ZINC000362517501 403962398 /nfs/dbraw/zinc/96/23/98/403962398.db2.gz AKYIZWXEDYYXRG-OAHLLOKOSA-N 1 3 303.450 2.352 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccccc1CN(C)C ZINC000362517501 403962404 /nfs/dbraw/zinc/96/24/04/403962404.db2.gz AKYIZWXEDYYXRG-OAHLLOKOSA-N 1 3 303.450 2.352 20 0 DEADHO CO[C@H]1C[C@@H](CO)N(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411700146 403942853 /nfs/dbraw/zinc/94/28/53/403942853.db2.gz AYOQVPUWBQQDKS-OALUTQOASA-N 1 3 318.461 2.254 20 0 DEADHO COC(=O)c1cc(CNCCCC[N@@H+]2CCC[C@@H](C)C2)cn1C ZINC000347918621 403952136 /nfs/dbraw/zinc/95/21/36/403952136.db2.gz IIBBVPYEWYXKBZ-OAHLLOKOSA-N 1 3 321.465 2.413 20 0 DEADHO COC(=O)c1cc(CNCCCC[N@H+]2CCC[C@@H](C)C2)cn1C ZINC000347918621 403952142 /nfs/dbraw/zinc/95/21/42/403952142.db2.gz IIBBVPYEWYXKBZ-OAHLLOKOSA-N 1 3 321.465 2.413 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000290076387 404030402 /nfs/dbraw/zinc/03/04/02/404030402.db2.gz VUMCPVBNUPHELJ-QLFBSQMISA-N 1 3 321.490 2.389 20 0 DEADHO CC(C)(CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCCCC1 ZINC000337542943 404088985 /nfs/dbraw/zinc/08/89/85/404088985.db2.gz KMBRBSNBUARXJX-HOTGVXAUSA-N 1 3 322.497 2.177 20 0 DEADHO CC(C)(CNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)N1CCCCC1 ZINC000337542943 404088994 /nfs/dbraw/zinc/08/89/94/404088994.db2.gz KMBRBSNBUARXJX-HOTGVXAUSA-N 1 3 322.497 2.177 20 0 DEADHO CC(C)(CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCCCC1 ZINC000337542947 404089108 /nfs/dbraw/zinc/08/91/08/404089108.db2.gz KMBRBSNBUARXJX-JKSUJKDBSA-N 1 3 322.497 2.177 20 0 DEADHO CC(C)(CNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCCCC1 ZINC000337542947 404089116 /nfs/dbraw/zinc/08/91/16/404089116.db2.gz KMBRBSNBUARXJX-JKSUJKDBSA-N 1 3 322.497 2.177 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000290092725 404037388 /nfs/dbraw/zinc/03/73/88/404037388.db2.gz WYMYWWRKSNQQSM-MSOLQXFVSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000290097079 404038875 /nfs/dbraw/zinc/03/88/75/404038875.db2.gz XJUOWYLJUOTQJA-BPQIPLTHSA-N 1 3 315.461 2.107 20 0 DEADHO CCC[C@]1(CO)CCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000337470362 404046786 /nfs/dbraw/zinc/04/67/86/404046786.db2.gz OZZBSFYXXZUPFU-GOSISDBHSA-N 1 3 311.514 2.030 20 0 DEADHO CCC[C@]1(CO)CCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000337470362 404046794 /nfs/dbraw/zinc/04/67/94/404046794.db2.gz OZZBSFYXXZUPFU-GOSISDBHSA-N 1 3 311.514 2.030 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCN(C)Cc1ccccc1 ZINC000290117751 404048673 /nfs/dbraw/zinc/04/86/73/404048673.db2.gz ZBNBSTJHPQIYER-SJORKVTESA-N 1 3 303.450 2.013 20 0 DEADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cnn(C(C)(C)C)c1 ZINC000349077982 404123279 /nfs/dbraw/zinc/12/32/79/404123279.db2.gz RCZJJPIZKWIPRC-UHFFFAOYSA-N 1 3 321.513 2.096 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000349143358 404127932 /nfs/dbraw/zinc/12/79/32/404127932.db2.gz MAGSFNZNRAQMBM-QBPKDAKJSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]([NH2+]CCc1ccn(C)n1)c1ccc(OCCN(C)C)cc1 ZINC000355031222 404166648 /nfs/dbraw/zinc/16/66/48/404166648.db2.gz AJSDHYRZHGQZNQ-OAHLLOKOSA-N 1 3 316.449 2.254 20 0 DEADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000349631117 404170308 /nfs/dbraw/zinc/17/03/08/404170308.db2.gz NZHAYAMXSORGMV-CVEARBPZSA-N 1 3 312.502 2.233 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000352139630 404170622 /nfs/dbraw/zinc/17/06/22/404170622.db2.gz GQLKZWDYOYVSQJ-ROUUACIJSA-N 1 3 317.477 2.211 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000352139630 404170630 /nfs/dbraw/zinc/17/06/30/404170630.db2.gz GQLKZWDYOYVSQJ-ROUUACIJSA-N 1 3 317.477 2.211 20 0 DEADHO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000352150938 404179217 /nfs/dbraw/zinc/17/92/17/404179217.db2.gz WEVFEXHPIITQBZ-MSOLQXFVSA-N 1 3 319.493 2.442 20 0 DEADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C3CCN(C)CC3)C2)CC1 ZINC000369881861 404261041 /nfs/dbraw/zinc/26/10/41/404261041.db2.gz VGYRWRZVMRIHIW-KRWDZBQOSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000355406114 404331701 /nfs/dbraw/zinc/33/17/01/404331701.db2.gz CVEYZGMXPNMYHB-DMRKSPOLSA-N 1 3 309.498 2.342 20 0 DEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000355406114 404331709 /nfs/dbraw/zinc/33/17/09/404331709.db2.gz CVEYZGMXPNMYHB-DMRKSPOLSA-N 1 3 309.498 2.342 20 0 DEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000355406116 404332258 /nfs/dbraw/zinc/33/22/58/404332258.db2.gz CVEYZGMXPNMYHB-QEOTZNIISA-N 1 3 309.498 2.342 20 0 DEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000355406116 404332263 /nfs/dbraw/zinc/33/22/63/404332263.db2.gz CVEYZGMXPNMYHB-QEOTZNIISA-N 1 3 309.498 2.342 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@@H]3CCCN(c4ccccc4)C3=O)C[C@H]21 ZINC000342089757 404358813 /nfs/dbraw/zinc/35/88/13/404358813.db2.gz BHRCBGVESXIEJV-VDHUWJSZSA-N 1 3 313.445 2.241 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@H]3CCCN(c4ccccc4)C3=O)C[C@H]21 ZINC000342089748 404358998 /nfs/dbraw/zinc/35/89/98/404358998.db2.gz BHRCBGVESXIEJV-DDBAPUKQSA-N 1 3 313.445 2.241 20 0 DEADHO CC[C@@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)N(CC)CC ZINC000344711856 404323616 /nfs/dbraw/zinc/32/36/16/404323616.db2.gz OGZOWTVASPZMAE-WBVHZDCISA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)N(CC)CC ZINC000344711856 404323624 /nfs/dbraw/zinc/32/36/24/404323624.db2.gz OGZOWTVASPZMAE-WBVHZDCISA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)N(CC)CC ZINC000344711854 404323680 /nfs/dbraw/zinc/32/36/80/404323680.db2.gz OGZOWTVASPZMAE-NVXWUHKLSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)N(CC)CC ZINC000344711854 404323684 /nfs/dbraw/zinc/32/36/84/404323684.db2.gz OGZOWTVASPZMAE-NVXWUHKLSA-N 1 3 309.498 2.440 20 0 DEADHO CN1CCN(CC2(C)CC[NH+](C[C@@H]3CCC(C)(C)O3)CC2)CC1 ZINC000364359767 404368116 /nfs/dbraw/zinc/36/81/16/404368116.db2.gz UOBCFLJAECPSEA-KRWDZBQOSA-N 1 3 323.525 2.294 20 0 DEADHO CC[NH+]1CCC(CCNCc2cnn(CC(F)F)c2)CC1 ZINC000352633076 404504780 /nfs/dbraw/zinc/50/47/80/404504780.db2.gz KLHQBIXBRUKZLH-UHFFFAOYSA-N 1 3 300.397 2.360 20 0 DEADHO CCN1CC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2C[NH+](CC)CC)C1 ZINC000413832761 404442447 /nfs/dbraw/zinc/44/24/47/404442447.db2.gz HXHRIOGDSIKHQE-YESZJQIVSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H](CC(C)(C)C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414187014 404542554 /nfs/dbraw/zinc/54/25/54/404542554.db2.gz HVCHBDWMZYAHLG-MRXNPFEDSA-N 1 3 311.514 2.197 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000567469028 292316041 /nfs/dbraw/zinc/31/60/41/292316041.db2.gz MJDWQKZUYXWKDK-LJIGWXMPSA-N 1 3 318.465 2.074 20 0 DEADHO Cc1ccccc1CN1CCCN(C(=O)[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000373798424 404594174 /nfs/dbraw/zinc/59/41/74/404594174.db2.gz FBEAJVBWEJJCHL-JKSUJKDBSA-N 1 3 303.450 2.013 20 0 DEADHO [NH3+][C@@H]1CC[C@@H]2CN(CCC(=O)Nc3ccc(Cl)cc3)C[C@H]12 ZINC000351480439 404594506 /nfs/dbraw/zinc/59/45/06/404594506.db2.gz UXBMEGCBRWFTFM-BYCMXARLSA-N 1 3 307.825 2.338 20 0 DEADHO [NH3+][C@@H]1CC[C@H]2CN(CCC(=O)Nc3ccc(Cl)cc3)C[C@H]12 ZINC000351480442 404594529 /nfs/dbraw/zinc/59/45/29/404594529.db2.gz UXBMEGCBRWFTFM-TUKIKUTGSA-N 1 3 307.825 2.338 20 0 DEADHO COc1cccc(NC(=O)CC[N@@H+]2CCC[C@H](N(C)C)CC2)c1 ZINC000365407288 404650989 /nfs/dbraw/zinc/65/09/89/404650989.db2.gz ZGMOIFIQCQGHLG-INIZCTEOSA-N 1 3 319.449 2.440 20 0 DEADHO COc1cccc(NC(=O)CC[N@H+]2CCC[C@H](N(C)C)CC2)c1 ZINC000365407288 404650993 /nfs/dbraw/zinc/65/09/93/404650993.db2.gz ZGMOIFIQCQGHLG-INIZCTEOSA-N 1 3 319.449 2.440 20 0 DEADHO CC[C@H](C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000374159909 404700467 /nfs/dbraw/zinc/70/04/67/404700467.db2.gz GUHYDPIAFDDJAE-MJGOQNOKSA-N 1 3 317.477 2.355 20 0 DEADHO CC[C@H](C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000374159909 404700470 /nfs/dbraw/zinc/70/04/70/404700470.db2.gz GUHYDPIAFDDJAE-MJGOQNOKSA-N 1 3 317.477 2.355 20 0 DEADHO Cc1ccc(-c2n[nH]cc2CN2CC[C@H]3C[NH2+]C[C@H]3CC2)o1 ZINC000414771503 404729717 /nfs/dbraw/zinc/72/97/17/404729717.db2.gz RFAFLCUHLDSPAW-OKILXGFUSA-N 1 3 300.406 2.410 20 0 DEADHO FC1(F)Oc2cccc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)c2O1 ZINC000414770793 404729902 /nfs/dbraw/zinc/72/99/02/404729902.db2.gz PKJDHGJNBBNLSM-TXEJJXNPSA-N 1 3 310.344 2.440 20 0 DEADHO FC(F)(F)Cn1cc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000414772036 404730180 /nfs/dbraw/zinc/73/01/80/404730180.db2.gz BCTXKTCHENTTAX-ZIAGYGMSSA-N 1 3 316.371 2.267 20 0 DEADHO CCOc1ccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000414788666 404735996 /nfs/dbraw/zinc/73/59/96/404735996.db2.gz NDBYTEFJQUUTOH-MSOLQXFVSA-N 1 3 304.434 2.414 20 0 DEADHO CCOc1ccc(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414796073 404737463 /nfs/dbraw/zinc/73/74/63/404737463.db2.gz XDTOYCBDCCRSCU-MRXNPFEDSA-N 1 3 304.434 2.273 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000365876488 404738028 /nfs/dbraw/zinc/73/80/28/404738028.db2.gz IXYLNNVSOBVKPG-FUHWJXTLSA-N 1 3 315.461 2.305 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000365876488 404738030 /nfs/dbraw/zinc/73/80/30/404738030.db2.gz IXYLNNVSOBVKPG-FUHWJXTLSA-N 1 3 315.461 2.305 20 0 DEADHO COC(=O)[C@H](C)Oc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000414809836 404740383 /nfs/dbraw/zinc/74/03/83/404740383.db2.gz UQGJKTGPWNXPKV-LXZKKBNFSA-N 1 3 320.433 2.234 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)N[C@@H](C[NH3+])CC(C)C)c1 ZINC000414830746 404743470 /nfs/dbraw/zinc/74/34/70/404743470.db2.gz BNSCNBWOIDSARR-DZGCQCFKSA-N 1 3 307.438 2.375 20 0 DEADHO C[C@@H]1CCC[C@H](NC(=O)CN2CCC3(C2)CC[NH2+]CC3)[C@H]1C ZINC000358501883 404765364 /nfs/dbraw/zinc/76/53/64/404765364.db2.gz BGDXTZHKLLCVLB-PMPSAXMXSA-N 1 3 307.482 2.003 20 0 DEADHO CC(C)C[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414701809 404711663 /nfs/dbraw/zinc/71/16/63/404711663.db2.gz KWZLYBNKYBEMQB-SFHVURJKSA-N 1 3 317.477 2.342 20 0 DEADHO CC(C)C[N@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414701809 404711666 /nfs/dbraw/zinc/71/16/66/404711666.db2.gz KWZLYBNKYBEMQB-SFHVURJKSA-N 1 3 317.477 2.342 20 0 DEADHO C[C@H]1C[C@H](CN(C)Cc2cn(C)nc2C(F)(F)F)CC[NH2+]1 ZINC000414708957 404713555 /nfs/dbraw/zinc/71/35/55/404713555.db2.gz OHDMQRSNKWJBHM-WDEREUQCSA-N 1 3 304.360 2.259 20 0 DEADHO O[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)C(F)F ZINC000356882762 404716189 /nfs/dbraw/zinc/71/61/89/404716189.db2.gz VHKKRNMMAFGLSW-QKPAOTATSA-N 1 3 310.388 2.113 20 0 DEADHO C[C@@H](C(=O)NC1CCC(C)CC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357088787 404727405 /nfs/dbraw/zinc/72/74/05/404727405.db2.gz TWHIZVBUKCQHEB-FYRJDAGRSA-N 1 3 321.509 2.391 20 0 DEADHO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@@H](O)CN1CCCC1 ZINC000353227159 404775756 /nfs/dbraw/zinc/77/57/56/404775756.db2.gz AMFQIPCMWPWAQL-RDTXWAMCSA-N 1 3 318.461 2.464 20 0 DEADHO Cc1nn(C)c(CNCCC[C@H]2CCC[NH2+]2)c1Br ZINC000414971529 404778926 /nfs/dbraw/zinc/77/89/26/404778926.db2.gz WHUSXWLYSYIACZ-NSHDSACASA-N 1 3 315.259 2.113 20 0 DEADHO Cn1nccc1CCN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377338108 404836383 /nfs/dbraw/zinc/83/63/83/404836383.db2.gz UBIRKESKRYVAPZ-MOPGFXCFSA-N 1 3 324.472 2.417 20 0 DEADHO Cn1nccc1CCN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377338108 404836384 /nfs/dbraw/zinc/83/63/84/404836384.db2.gz UBIRKESKRYVAPZ-MOPGFXCFSA-N 1 3 324.472 2.417 20 0 DEADHO Clc1ccc(CN2CCC(N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000415031676 404791619 /nfs/dbraw/zinc/79/16/19/404791619.db2.gz GTBCSCKQBAMLCF-FVQHAEBGSA-N 1 3 305.853 2.112 20 0 DEADHO CCN1CCN(c2ccc(N[C@@H]3CCC[NH2+]C3)c(C)c2)CC1 ZINC000415111541 404810059 /nfs/dbraw/zinc/81/00/59/404810059.db2.gz CHZWVGAVDYTTHD-MRXNPFEDSA-N 1 3 302.466 2.301 20 0 DEADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000415120498 404811949 /nfs/dbraw/zinc/81/19/49/404811949.db2.gz GDSVIZCIZQRHAV-MJGOQNOKSA-N 1 3 316.445 2.340 20 0 DEADHO CC[C@](CNC[C@]1(C)CC[NH2+]C1)(C(=O)OC)c1ccccc1 ZINC000415132085 404814788 /nfs/dbraw/zinc/81/47/88/404814788.db2.gz ACRZZSXPLLRKJY-QZTJIDSGSA-N 1 3 304.434 2.097 20 0 DEADHO Cc1ccc(F)cc1CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415140416 404817385 /nfs/dbraw/zinc/81/73/85/404817385.db2.gz NGBOVKAHTHALRX-SJORKVTESA-N 1 3 304.409 2.335 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000376571344 404825075 /nfs/dbraw/zinc/82/50/75/404825075.db2.gz AALKZSFPOAXKPC-SJORKVTESA-N 1 3 322.497 2.131 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000376571344 404825079 /nfs/dbraw/zinc/82/50/79/404825079.db2.gz AALKZSFPOAXKPC-SJORKVTESA-N 1 3 322.497 2.131 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000415568768 404886630 /nfs/dbraw/zinc/88/66/30/404886630.db2.gz KTXFXGBPECNXSQ-OAHLLOKOSA-N 1 3 318.465 2.302 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000361036961 404889138 /nfs/dbraw/zinc/88/91/38/404889138.db2.gz MGMDUVYEDBYKQL-SFHVURJKSA-N 1 3 317.477 2.355 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000361036961 404889142 /nfs/dbraw/zinc/88/91/42/404889142.db2.gz MGMDUVYEDBYKQL-SFHVURJKSA-N 1 3 317.477 2.355 20 0 DEADHO C[NH+]1CCC([C@H]2CCN(Cc3cnn(CC(F)F)c3)C2)CC1 ZINC000353511972 404853164 /nfs/dbraw/zinc/85/31/64/404853164.db2.gz BYCDDEOFOBDFOB-HNNXBMFYSA-N 1 3 312.408 2.312 20 0 DEADHO C[N@@H+]1CC[C@H](NCCNC(=O)CC2CCCC2)[C@H]2CCC[C@H]21 ZINC000353515954 404854448 /nfs/dbraw/zinc/85/44/48/404854448.db2.gz IWHFIYUCJZZXIJ-IXDOHACOSA-N 1 3 307.482 2.145 20 0 DEADHO C[N@H+]1CC[C@H](NCCNC(=O)CC2CCCC2)[C@H]2CCC[C@H]21 ZINC000353515954 404854449 /nfs/dbraw/zinc/85/44/49/404854449.db2.gz IWHFIYUCJZZXIJ-IXDOHACOSA-N 1 3 307.482 2.145 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](NCCc2nccs2)[C@@H](C)C1 ZINC000360933853 404855979 /nfs/dbraw/zinc/85/59/79/404855979.db2.gz WPUWMZVIRBGRBX-GJZGRUSLSA-N 1 3 311.495 2.412 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](NCCc2nccs2)[C@@H](C)C1 ZINC000360933853 404855982 /nfs/dbraw/zinc/85/59/82/404855982.db2.gz WPUWMZVIRBGRBX-GJZGRUSLSA-N 1 3 311.495 2.412 20 0 DEADHO C[NH+](C)CCOC1CCN(Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000353523629 404856375 /nfs/dbraw/zinc/85/63/75/404856375.db2.gz XYVOKBRDQHJESR-UHFFFAOYSA-N 1 3 308.470 2.250 20 0 DEADHO C[NH2+]C[C@@H](C)CNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000416848810 404934569 /nfs/dbraw/zinc/93/45/69/404934569.db2.gz WXPHQEODYIKISF-ZIAGYGMSSA-N 1 3 324.494 2.040 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)N(CC)CC ZINC000424015295 404971492 /nfs/dbraw/zinc/97/14/92/404971492.db2.gz YSMRYENJWRFXGJ-GVDBMIGSSA-N 1 3 321.440 2.199 20 0 DEADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000416886673 404951478 /nfs/dbraw/zinc/95/14/78/404951478.db2.gz NGDUQIPWHNLEBD-QGZVFWFLSA-N 1 3 320.481 2.263 20 0 DEADHO C[C@H]([NH3+])C1CCN(C(=O)NCc2cccc(CN(C)C)c2)CC1 ZINC000417075550 405028158 /nfs/dbraw/zinc/02/81/58/405028158.db2.gz VEZCHEZJOLAXKH-AWEZNQCLSA-N 1 3 318.465 2.017 20 0 DEADHO O=C(c1ccco1)N1CCC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000361344267 405031823 /nfs/dbraw/zinc/03/18/23/405031823.db2.gz SKYPTXRKBDWHEO-HZPDHXFCSA-N 1 3 317.433 2.101 20 0 DEADHO O=C(c1ccco1)N1CCC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000361344267 405031827 /nfs/dbraw/zinc/03/18/27/405031827.db2.gz SKYPTXRKBDWHEO-HZPDHXFCSA-N 1 3 317.433 2.101 20 0 DEADHO O=C(c1ccco1)N1CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000361344267 405031830 /nfs/dbraw/zinc/03/18/30/405031830.db2.gz SKYPTXRKBDWHEO-HZPDHXFCSA-N 1 3 317.433 2.101 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000424039185 404979765 /nfs/dbraw/zinc/97/97/65/404979765.db2.gz JONKPIZLDDZMJP-CKEIUWERSA-N 1 3 307.482 2.096 20 0 DEADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCCNCC1 ZINC000416971156 404981915 /nfs/dbraw/zinc/98/19/15/404981915.db2.gz PAAZPBQGYWJWIY-UHFFFAOYSA-N 1 3 318.465 2.032 20 0 DEADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCCNCC1 ZINC000416971156 404981920 /nfs/dbraw/zinc/98/19/20/404981920.db2.gz PAAZPBQGYWJWIY-UHFFFAOYSA-N 1 3 318.465 2.032 20 0 DEADHO C[C@H]1CCN(C)CCN1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415948751 404982077 /nfs/dbraw/zinc/98/20/77/404982077.db2.gz ALERTPMHCCOWFR-LBPRGKRZSA-N 1 3 320.412 2.029 20 0 DEADHO CC[N@H+](CCNC(=O)Nc1ccc2c(c1)CNCCO2)C(C)C ZINC000415972308 404988972 /nfs/dbraw/zinc/98/89/72/404988972.db2.gz LEERFHZOTLFVIL-UHFFFAOYSA-N 1 3 320.437 2.020 20 0 DEADHO CC[N@@H+](CCNC(=O)Nc1ccc2c(c1)CNCCO2)C(C)C ZINC000415972308 404988974 /nfs/dbraw/zinc/98/89/74/404988974.db2.gz LEERFHZOTLFVIL-UHFFFAOYSA-N 1 3 320.437 2.020 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](NCCc2cc(C)no2)[C@@H](C)C1 ZINC000353995947 404989207 /nfs/dbraw/zinc/98/92/07/404989207.db2.gz MJXZIEJKGIUKAE-YOEHRIQHSA-N 1 3 309.454 2.252 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](NCCc2cc(C)no2)[C@@H](C)C1 ZINC000353995947 404989210 /nfs/dbraw/zinc/98/92/10/404989210.db2.gz MJXZIEJKGIUKAE-YOEHRIQHSA-N 1 3 309.454 2.252 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N[C@H](C)CC[NH3+])c1ccsc1 ZINC000416998704 404992326 /nfs/dbraw/zinc/99/23/26/404992326.db2.gz BIRSTQYGXYLMBB-TZMCWYRMSA-N 1 3 312.483 2.168 20 0 DEADHO C[NH2+]Cc1ccc(NC(=O)N2CC[C@]3(C2)CCCN(C)C3)cc1 ZINC000415988116 404996297 /nfs/dbraw/zinc/99/62/97/404996297.db2.gz ZSYXLKASPSXVCJ-GOSISDBHSA-N 1 3 316.449 2.356 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CCC[NH2+]1)c1ccsc1 ZINC000417007448 404997591 /nfs/dbraw/zinc/99/75/91/404997591.db2.gz KVCDUHBXEHQJEB-GJZGRUSLSA-N 1 3 324.494 2.182 20 0 DEADHO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cc(C)cc(CN)c2)C1 ZINC000424442719 405096353 /nfs/dbraw/zinc/09/63/53/405096353.db2.gz YVHFJOATXGDIFN-INIZCTEOSA-N 1 3 304.438 2.402 20 0 DEADHO CN1CC[C@@H]2CCN(C(=O)C[C@@H](c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC000416203967 405055711 /nfs/dbraw/zinc/05/57/11/405055711.db2.gz ZPGBLVHZAVEYCM-FGTMMUONSA-N 1 3 315.461 2.232 20 0 DEADHO CC(C)C[C@@H](C)N(C)C(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424287565 405057381 /nfs/dbraw/zinc/05/73/81/405057381.db2.gz IZYKBNGFNJHUJZ-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H]1CC2(CN1CC(=O)N(C)[C@@H]1CCCC[C@H]1C)CC[NH2+]CC2 ZINC000424302487 405062711 /nfs/dbraw/zinc/06/27/11/405062711.db2.gz ZPUFSNGDGWYDNJ-IXDOHACOSA-N 1 3 321.509 2.488 20 0 DEADHO [NH3+]C[C@@H](CN1CCC[C@@H](c2ncc[nH]2)C1)c1ccc(F)cc1 ZINC000424302690 405063213 /nfs/dbraw/zinc/06/32/13/405063213.db2.gz MKWCQMDRIIHMOW-CABCVRRESA-N 1 3 302.397 2.471 20 0 DEADHO NC[C@@H](C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1)c1ccc(F)cc1 ZINC000424302690 405063217 /nfs/dbraw/zinc/06/32/17/405063217.db2.gz MKWCQMDRIIHMOW-CABCVRRESA-N 1 3 302.397 2.471 20 0 DEADHO NC[C@@H](C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1)c1ccc(F)cc1 ZINC000424302690 405063222 /nfs/dbraw/zinc/06/32/22/405063222.db2.gz MKWCQMDRIIHMOW-CABCVRRESA-N 1 3 302.397 2.471 20 0 DEADHO COc1cc(CN2CC3(C[C@H]2C)CC[NH2+]CC3)cc2c1OCO2 ZINC000424384298 405079317 /nfs/dbraw/zinc/07/93/17/405079317.db2.gz VHKPAPLDOJQCBK-CYBMUJFWSA-N 1 3 318.417 2.388 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC1CC[NH2+]CC1)N(C)C ZINC000418188955 405116425 /nfs/dbraw/zinc/11/64/25/405116425.db2.gz VAMOHAMFFVRSQS-PBHICJAKSA-N 1 3 318.465 2.037 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418626326 405142598 /nfs/dbraw/zinc/14/25/98/405142598.db2.gz SAGLWDZPYJQICW-INIZCTEOSA-N 1 3 310.486 2.021 20 0 DEADHO C[C@H]1CCN(C)CCN1C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418681652 405164862 /nfs/dbraw/zinc/16/48/62/405164862.db2.gz VNWUHBQPVKRDJU-DOTOQJQBSA-N 1 3 318.465 2.202 20 0 DEADHO CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1 ZINC000453007884 405272873 /nfs/dbraw/zinc/27/28/73/405272873.db2.gz MSBXJUBLGHBCMK-ZWKOTPCHSA-N 1 3 315.461 2.305 20 0 DEADHO CC[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccsc1 ZINC000453089681 405283215 /nfs/dbraw/zinc/28/32/15/405283215.db2.gz BLHRSRUYVKCMEZ-HIFRSBDPSA-N 1 3 309.479 2.376 20 0 DEADHO C[C@@H]1C[C@H](N[C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)CC[N@@H+]1C ZINC000453343316 405290980 /nfs/dbraw/zinc/29/09/80/405290980.db2.gz DIYONYPQBFFKOA-HHARLNAUSA-N 1 3 320.481 2.453 20 0 DEADHO C[C@@H]1C[C@H](N[C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)CC[N@H+]1C ZINC000453343316 405290982 /nfs/dbraw/zinc/29/09/82/405290982.db2.gz DIYONYPQBFFKOA-HHARLNAUSA-N 1 3 320.481 2.453 20 0 DEADHO O=C([C@@H]1CCCN1C1CCCC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000438557334 405251130 /nfs/dbraw/zinc/25/11/30/405251130.db2.gz KKYZHPLGESMQSP-MSOLQXFVSA-N 1 3 319.493 2.480 20 0 DEADHO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCC[C@@H](N2CCCC2)C1 ZINC000438557334 405251131 /nfs/dbraw/zinc/25/11/31/405251131.db2.gz KKYZHPLGESMQSP-MSOLQXFVSA-N 1 3 319.493 2.480 20 0 DEADHO O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCC[C@@H](N2CCCC2)C1 ZINC000438557334 405251132 /nfs/dbraw/zinc/25/11/32/405251132.db2.gz KKYZHPLGESMQSP-MSOLQXFVSA-N 1 3 319.493 2.480 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000438576504 405251567 /nfs/dbraw/zinc/25/15/67/405251567.db2.gz IXVFRPUCQULFMB-NVXWUHKLSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000438576504 405251568 /nfs/dbraw/zinc/25/15/68/405251568.db2.gz IXVFRPUCQULFMB-NVXWUHKLSA-N 1 3 307.482 2.384 20 0 DEADHO COC(=O)c1cc(CN2CCC3(C2)CC[NH2+]CC3)c(C)s1 ZINC000420312189 405315521 /nfs/dbraw/zinc/31/55/21/405315521.db2.gz RTLXCWLDCDOPQN-UHFFFAOYSA-N 1 3 308.447 2.419 20 0 DEADHO COC(=O)CCN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000420316544 405317043 /nfs/dbraw/zinc/31/70/43/405317043.db2.gz SXUFKPKWUIWFOL-AWEZNQCLSA-N 1 3 308.447 2.255 20 0 DEADHO COC(=O)c1ccc(F)c(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420321108 405318306 /nfs/dbraw/zinc/31/83/06/405318306.db2.gz CHSLWYDHFVAYFZ-GJZGRUSLSA-N 1 3 320.408 2.434 20 0 DEADHO c1ccc2oc(N3CCN(CC[C@@H]4CCC[NH2+]C4)CC3)nc2c1 ZINC000420325401 405320189 /nfs/dbraw/zinc/32/01/89/405320189.db2.gz WBFAXRQISRULLX-HNNXBMFYSA-N 1 3 314.433 2.340 20 0 DEADHO Cc1ccccc1NC(=O)[C@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420327619 405320860 /nfs/dbraw/zinc/32/08/60/405320860.db2.gz DJUOVOQUQFQVID-HRCADAONSA-N 1 3 301.434 2.253 20 0 DEADHO C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420333325 405323138 /nfs/dbraw/zinc/32/31/38/405323138.db2.gz SQGYKXGJKAQPGH-BDXSIMOUSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)CN(CC(C)C)C(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420334991 405323728 /nfs/dbraw/zinc/32/37/28/405323728.db2.gz HAGLXOWFBQUZEL-ZWKOTPCHSA-N 1 3 323.525 2.449 20 0 DEADHO C[C@H](NC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1cccs1 ZINC000420341460 405325733 /nfs/dbraw/zinc/32/57/33/405325733.db2.gz OPVLDIXYOLVYCI-SOUVJXGZSA-N 1 3 321.490 2.247 20 0 DEADHO C[C@@H](C(=O)N(C)C1CCCCC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420344192 405326851 /nfs/dbraw/zinc/32/68/51/405326851.db2.gz SPBNWPXEIWKYTA-HRCADAONSA-N 1 3 307.482 2.097 20 0 DEADHO c1c(CN[C@@H]2CCN(C3CCCC3)C2)onc1C1CC[NH2+]CC1 ZINC000425902186 405327726 /nfs/dbraw/zinc/32/77/26/405327726.db2.gz RWGSVUKOAISKRC-OAHLLOKOSA-N 1 3 318.465 2.248 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)[NH+]1CCCCC1 ZINC000440924791 405330895 /nfs/dbraw/zinc/33/08/95/405330895.db2.gz JZPKFPXVVIFEIT-BFYDXBDKSA-N 1 3 307.482 2.238 20 0 DEADHO COCC(C)(C)C[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000426409049 405358041 /nfs/dbraw/zinc/35/80/41/405358041.db2.gz DFVRRLVBQWPBRS-HOTGVXAUSA-N 1 3 312.498 2.480 20 0 DEADHO CN(CCC1CC[NH2+]CC1)Cc1cn(C)nc1C(F)(F)F ZINC000420367636 405334116 /nfs/dbraw/zinc/33/41/16/405334116.db2.gz HGJSCAUSGXACHI-UHFFFAOYSA-N 1 3 304.360 2.260 20 0 DEADHO C[C@@H](CNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)[NH+](C)C ZINC000454385611 405338502 /nfs/dbraw/zinc/33/85/02/405338502.db2.gz WZDDQBSPTVAJAM-ZOBUZTSGSA-N 1 3 318.465 2.071 20 0 DEADHO [NH3+][C@@H]1CCO[C@H](C2CCN(CCOc3ccc(F)cc3)CC2)C1 ZINC000420386698 405340650 /nfs/dbraw/zinc/34/06/50/405340650.db2.gz JKLADDWKBOTXNX-AEFFLSMTSA-N 1 3 322.424 2.423 20 0 DEADHO C[C@@H]1CCN(CCC(=O)Nc2cc(F)cc(F)c2)C[C@@H]1C[NH3+] ZINC000420418635 405347949 /nfs/dbraw/zinc/34/79/49/405347949.db2.gz XCBDPCHJRUTJIZ-NEPJUHHUSA-N 1 3 311.376 2.210 20 0 DEADHO O=C(CN1CCCC2(CCCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000445858819 405359123 /nfs/dbraw/zinc/35/91/23/405359123.db2.gz ZNRQWBWKXSTLCN-UHFFFAOYSA-N 1 3 319.493 2.386 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C)CC[C@H]1C ZINC000440188224 405305152 /nfs/dbraw/zinc/30/51/52/405305152.db2.gz OULMGTOQOSERCJ-IAGOWNOFSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C)CC[C@H]1C ZINC000440188224 405305153 /nfs/dbraw/zinc/30/51/53/405305153.db2.gz OULMGTOQOSERCJ-IAGOWNOFSA-N 1 3 324.513 2.233 20 0 DEADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)C[C@H]1C[C@@H](O)C1 ZINC000420931701 405408439 /nfs/dbraw/zinc/40/84/39/405408439.db2.gz GSYGMKSHJWXJMU-MAEOIBBWSA-N 1 3 303.450 2.391 20 0 DEADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)C[C@H]1C[C@@H](O)C1 ZINC000420931701 405408440 /nfs/dbraw/zinc/40/84/40/405408440.db2.gz GSYGMKSHJWXJMU-MAEOIBBWSA-N 1 3 303.450 2.391 20 0 DEADHO Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](N(C)C)CC2)nc1 ZINC000447327752 405411053 /nfs/dbraw/zinc/41/10/53/405411053.db2.gz XVCFIZDEQAFHPB-OAHLLOKOSA-N 1 3 304.438 2.135 20 0 DEADHO Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](N(C)C)CC2)nc1 ZINC000447327752 405411056 /nfs/dbraw/zinc/41/10/56/405411056.db2.gz XVCFIZDEQAFHPB-OAHLLOKOSA-N 1 3 304.438 2.135 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CC[C@@H](C3CCCC3)C2)CC1 ZINC000420959792 405415277 /nfs/dbraw/zinc/41/52/77/405415277.db2.gz FLORBAJEVAZQRM-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H](C3CCCC3)C2)CC1 ZINC000420959130 405415436 /nfs/dbraw/zinc/41/54/36/405415436.db2.gz DGKIANFZBOWMFR-KRWDZBQOSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCN2CCCOCC2)C1 ZINC000429682525 405443242 /nfs/dbraw/zinc/44/32/42/405443242.db2.gz GTZJJMCZXOZCBI-OALUTQOASA-N 1 3 323.525 2.295 20 0 DEADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCN2CCCOCC2)C1 ZINC000429682525 405443244 /nfs/dbraw/zinc/44/32/44/405443244.db2.gz GTZJJMCZXOZCBI-OALUTQOASA-N 1 3 323.525 2.295 20 0 DEADHO C[C@@H]([NH3+])[C@H]1CCCN(CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000430559988 405457569 /nfs/dbraw/zinc/45/75/69/405457569.db2.gz VCDFBHZUQBHSIR-NEPJUHHUSA-N 1 3 311.376 2.353 20 0 DEADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]CC3(CC(N)=O)CC3)CC2)C1 ZINC000421349316 405466852 /nfs/dbraw/zinc/46/68/52/405466852.db2.gz IHNHZVLUJLKNOM-GOEBONIOSA-N 1 3 307.482 2.275 20 0 DEADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCC3(CC(N)=O)CC3)CC2)C1 ZINC000421349316 405466856 /nfs/dbraw/zinc/46/68/56/405466856.db2.gz IHNHZVLUJLKNOM-GOEBONIOSA-N 1 3 307.482 2.275 20 0 DEADHO [NH3+]C[C@@H]1CCCN(CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000430624516 405469843 /nfs/dbraw/zinc/46/98/43/405469843.db2.gz IYAGDMOBOCQHOP-MAUKXSAKSA-N 1 3 315.461 2.241 20 0 DEADHO CC[NH+]1CCC(CNC(=O)NCCN2CCCC(C)(C)C2)CC1 ZINC000577581310 405470578 /nfs/dbraw/zinc/47/05/78/405470578.db2.gz XUOQJKCDDCDIMN-UHFFFAOYSA-N 1 3 324.513 2.140 20 0 DEADHO CO[C@@H](CNC1CC[NH+](CC2CCCC2)CC1)[C@H]1CCOC1 ZINC000638453552 405478578 /nfs/dbraw/zinc/47/85/78/405478578.db2.gz FEZJEGHHRZJNTI-WMZOPIPTSA-N 1 3 310.482 2.282 20 0 DEADHO CO[C@@H](C[NH2+]C1CCN(CC2CCCC2)CC1)[C@H]1CCOC1 ZINC000638453552 405478583 /nfs/dbraw/zinc/47/85/83/405478583.db2.gz FEZJEGHHRZJNTI-WMZOPIPTSA-N 1 3 310.482 2.282 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)NC(C)(C)C[NH+](C)C)N(C)C)cc1 ZINC000458054427 405481694 /nfs/dbraw/zinc/48/16/94/405481694.db2.gz UUPJNTLCJSJUFB-MRXNPFEDSA-N 1 3 320.481 2.237 20 0 DEADHO C[C@H](CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1)N1CCC(C)CC1 ZINC000458057818 405481989 /nfs/dbraw/zinc/48/19/89/405481989.db2.gz YQHQNMGYJYEHQC-SJORKVTESA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)N1CCC(C)CC1 ZINC000458057818 405481997 /nfs/dbraw/zinc/48/19/97/405481997.db2.gz YQHQNMGYJYEHQC-SJORKVTESA-N 1 3 324.513 2.138 20 0 DEADHO Cc1ccc(CC[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000638586547 405558622 /nfs/dbraw/zinc/55/86/22/405558622.db2.gz SNTJJJKOVWABJG-GOSISDBHSA-N 1 3 301.478 2.296 20 0 DEADHO CC(C)CCC[C@@H](C)NC(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000431022064 405561163 /nfs/dbraw/zinc/56/11/63/405561163.db2.gz LZIUBWHDAILODL-MRXNPFEDSA-N 1 3 309.498 2.393 20 0 DEADHO CC1CCN([C@H](CNC(=O)C2([NH3+])CCC2)c2ccccc2)CC1 ZINC000449329965 405523300 /nfs/dbraw/zinc/52/33/00/405523300.db2.gz QRVCYNBYZHIMHA-QGZVFWFLSA-N 1 3 315.461 2.457 20 0 DEADHO C[N@H+](CCCCNC(=O)N1CCCN(C(C)(C)C)CC1)C1CC1 ZINC000556766467 405526560 /nfs/dbraw/zinc/52/65/60/405526560.db2.gz AANDLTKCYMJPGS-UHFFFAOYSA-N 1 3 324.513 2.377 20 0 DEADHO C[N@@H+](CCCCNC(=O)N1CCCN(C(C)(C)C)CC1)C1CC1 ZINC000556766467 405526564 /nfs/dbraw/zinc/52/65/64/405526564.db2.gz AANDLTKCYMJPGS-UHFFFAOYSA-N 1 3 324.513 2.377 20 0 DEADHO COCCOc1ccccc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000430926439 405529776 /nfs/dbraw/zinc/52/97/76/405529776.db2.gz GFVQXMUCWSPQCI-UHFFFAOYSA-N 1 3 304.434 2.287 20 0 DEADHO C[N@@H+]1CCC[C@@H](CCNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000458699785 405548484 /nfs/dbraw/zinc/54/84/84/405548484.db2.gz CTCDUXXUTJCQCA-RDJZCZTQSA-N 1 3 322.497 2.034 20 0 DEADHO C[N@H+]1CCC[C@@H](CCNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000458699785 405548487 /nfs/dbraw/zinc/54/84/87/405548487.db2.gz CTCDUXXUTJCQCA-RDJZCZTQSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc(F)c2N)C[C@H](C)O1 ZINC000638681421 405614099 /nfs/dbraw/zinc/61/40/99/405614099.db2.gz LSGASAVEEZDGFM-OKILXGFUSA-N 1 3 309.429 2.387 20 0 DEADHO C[C@H](CC(=O)N1CCCCCC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449561426 405614904 /nfs/dbraw/zinc/61/49/04/405614904.db2.gz UWKDWROPRDVTFZ-MGNMYUMUSA-N 1 3 307.482 2.382 20 0 DEADHO C[C@H](CC(=O)N1CCCCCC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561426 405614907 /nfs/dbraw/zinc/61/49/07/405614907.db2.gz UWKDWROPRDVTFZ-MGNMYUMUSA-N 1 3 307.482 2.382 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000458742943 405568591 /nfs/dbraw/zinc/56/85/91/405568591.db2.gz NSXBBNVDUYMLMX-JKSUJKDBSA-N 1 3 324.513 2.231 20 0 DEADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000458742943 405568594 /nfs/dbraw/zinc/56/85/94/405568594.db2.gz NSXBBNVDUYMLMX-JKSUJKDBSA-N 1 3 324.513 2.231 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H](N)C(C)(C)C)C1 ZINC000431062081 405570012 /nfs/dbraw/zinc/57/00/12/405570012.db2.gz NOAFTPSHAQCUDG-NUEKZKHPSA-N 1 3 303.450 2.312 20 0 DEADHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H](N)C(C)(C)C)C1 ZINC000431062081 405570018 /nfs/dbraw/zinc/57/00/18/405570018.db2.gz NOAFTPSHAQCUDG-NUEKZKHPSA-N 1 3 303.450 2.312 20 0 DEADHO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H](N)C(C)(C)C)C1 ZINC000431062081 405570026 /nfs/dbraw/zinc/57/00/26/405570026.db2.gz NOAFTPSHAQCUDG-NUEKZKHPSA-N 1 3 303.450 2.312 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CC2CC[NH2+]CC2)C1 ZINC000431061070 405570774 /nfs/dbraw/zinc/57/07/74/405570774.db2.gz IQQNVXPPTXHAPH-QAPCUYQASA-N 1 3 315.461 2.328 20 0 DEADHO C[C@@H](CNC1CC[NH+](CC(C)(C)O)CC1)Oc1ccccc1 ZINC000638638348 405587161 /nfs/dbraw/zinc/58/71/61/405587161.db2.gz FCQXSLNLDAJTAI-HNNXBMFYSA-N 1 3 306.450 2.279 20 0 DEADHO C[C@@H]1CN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CCN(C2CCC2)C1 ZINC000557218767 405587552 /nfs/dbraw/zinc/58/75/52/405587552.db2.gz AJPZVSHZPQUPAS-YOEHRIQHSA-N 1 3 322.497 2.020 20 0 DEADHO CN(C)C[C@H](NC(=O)C1(C[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000635907720 405597477 /nfs/dbraw/zinc/59/74/77/405597477.db2.gz YYDUWGNHWYLNAL-HNNXBMFYSA-N 1 3 323.868 2.401 20 0 DEADHO CO[C@H](CNC[C@@H]1CCC[N@H+](CC(C)C)C1)C1CCOCC1 ZINC000638787762 405667542 /nfs/dbraw/zinc/66/75/42/405667542.db2.gz BZCGCLZLZYGLMP-FUHWJXTLSA-N 1 3 312.498 2.386 20 0 DEADHO CO[C@H](CNC[C@@H]1CCC[N@@H+](CC(C)C)C1)C1CCOCC1 ZINC000638787762 405667552 /nfs/dbraw/zinc/66/75/52/405667552.db2.gz BZCGCLZLZYGLMP-FUHWJXTLSA-N 1 3 312.498 2.386 20 0 DEADHO CO[C@H](C[NH2+]C[C@@H]1CCCN(CC(C)C)C1)C1CCOCC1 ZINC000638787762 405667555 /nfs/dbraw/zinc/66/75/55/405667555.db2.gz BZCGCLZLZYGLMP-FUHWJXTLSA-N 1 3 312.498 2.386 20 0 DEADHO CO[C@@H](CNC[C@H]1CCC[N@H+](CC(C)C)C1)C1CCOCC1 ZINC000638787761 405668247 /nfs/dbraw/zinc/66/82/47/405668247.db2.gz BZCGCLZLZYGLMP-AEFFLSMTSA-N 1 3 312.498 2.386 20 0 DEADHO CO[C@@H](CNC[C@H]1CCC[N@@H+](CC(C)C)C1)C1CCOCC1 ZINC000638787761 405668252 /nfs/dbraw/zinc/66/82/52/405668252.db2.gz BZCGCLZLZYGLMP-AEFFLSMTSA-N 1 3 312.498 2.386 20 0 DEADHO CO[C@@H](C[NH2+]C[C@H]1CCCN(CC(C)C)C1)C1CCOCC1 ZINC000638787761 405668257 /nfs/dbraw/zinc/66/82/57/405668257.db2.gz BZCGCLZLZYGLMP-AEFFLSMTSA-N 1 3 312.498 2.386 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@H](NC[C@H](O)COCc2ccccc2)C1 ZINC000580710283 405670385 /nfs/dbraw/zinc/67/03/85/405670385.db2.gz YKNXTRCAERHQDH-KSZLIROESA-N 1 3 306.450 2.027 20 0 DEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COCc2ccccc2)C1 ZINC000580710283 405670393 /nfs/dbraw/zinc/67/03/93/405670393.db2.gz YKNXTRCAERHQDH-KSZLIROESA-N 1 3 306.450 2.027 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H](c2ccccc2)N(C)C)C1 ZINC000431856923 405685979 /nfs/dbraw/zinc/68/59/79/405685979.db2.gz WVOMVIHVDUHAJO-FUHWJXTLSA-N 1 3 317.477 2.480 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@H](c2ccccc2)N(C)C)C1 ZINC000431856923 405685984 /nfs/dbraw/zinc/68/59/84/405685984.db2.gz WVOMVIHVDUHAJO-FUHWJXTLSA-N 1 3 317.477 2.480 20 0 DEADHO CCC[N@H+](C)CC(=O)N(C)C1CCN(CCC(F)(F)F)CC1 ZINC000457088746 405691002 /nfs/dbraw/zinc/69/10/02/405691002.db2.gz SHGOUJRQSXEZCL-UHFFFAOYSA-N 1 3 323.403 2.203 20 0 DEADHO CCC[N@@H+](C)CC(=O)N(C)C1CCN(CCC(F)(F)F)CC1 ZINC000457088746 405691007 /nfs/dbraw/zinc/69/10/07/405691007.db2.gz SHGOUJRQSXEZCL-UHFFFAOYSA-N 1 3 323.403 2.203 20 0 DEADHO CC(C)[C@H](O)CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422791993 405680723 /nfs/dbraw/zinc/68/07/23/405680723.db2.gz YZLZTZQISJIBRP-JZXOWHBKSA-N 1 3 304.434 2.239 20 0 DEADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCCN1CCCCC1 ZINC000422814662 405683696 /nfs/dbraw/zinc/68/36/96/405683696.db2.gz VVKHXVBHXQTAMB-IEBWSBKVSA-N 1 3 315.461 2.318 20 0 DEADHO CCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423034579 405697353 /nfs/dbraw/zinc/69/73/53/405697353.db2.gz IGTVLQUNAANKCY-XMTFNYHQSA-N 1 3 304.434 2.263 20 0 DEADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1CCCCN1 ZINC000638837097 405704133 /nfs/dbraw/zinc/70/41/33/405704133.db2.gz XWUYLVAFURQORO-NXHRZFHOSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1CCCCN1 ZINC000638837097 405704139 /nfs/dbraw/zinc/70/41/39/405704139.db2.gz XWUYLVAFURQORO-NXHRZFHOSA-N 1 3 315.461 2.013 20 0 DEADHO Cc1ccc(NC(=O)CCN[C@@H]2CCC[C@H]([NH+](C)C)C2)nc1 ZINC000568740319 292363237 /nfs/dbraw/zinc/36/32/37/292363237.db2.gz FNVARJLCYLMNFN-CABCVRRESA-N 1 3 304.438 2.181 20 0 DEADHO Cc1ccc(NC(=O)CC[NH2+][C@@H]2CCC[C@H](N(C)C)C2)nc1 ZINC000568740319 292363238 /nfs/dbraw/zinc/36/32/38/292363238.db2.gz FNVARJLCYLMNFN-CABCVRRESA-N 1 3 304.438 2.181 20 0 DEADHO CC1([NH+]2CCCC2)CCN(C(=O)c2cccc3c2CNC3)CC1 ZINC000638861302 405723130 /nfs/dbraw/zinc/72/31/30/405723130.db2.gz SZCNUSJJFXCLPX-UHFFFAOYSA-N 1 3 313.445 2.380 20 0 DEADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000423195378 405717952 /nfs/dbraw/zinc/71/79/52/405717952.db2.gz XWVADQGSZAHRCM-DZJNRPSUSA-N 1 3 306.425 2.412 20 0 DEADHO C[C@H]1CCN[C@@H](C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000423313802 405757756 /nfs/dbraw/zinc/75/77/56/405757756.db2.gz UXXKJAWTPKSQKD-MAUKXSAKSA-N 1 3 315.461 2.287 20 0 DEADHO C[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)cc1 ZINC000423400968 405792423 /nfs/dbraw/zinc/79/24/23/405792423.db2.gz XMEMOWFRNHKFQO-SMDDNHRTSA-N 1 3 319.346 2.312 20 0 DEADHO COC[C@]1(CN[C@H]2CCN(C)[C@@H](c3ccccc3)C2)CCC[NH2+]1 ZINC000423408384 405793337 /nfs/dbraw/zinc/79/33/37/405793337.db2.gz AGXKWKPDWSVMNZ-IPMKNSEASA-N 1 3 317.477 2.180 20 0 DEADHO COCCN1CC[C@H](N[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000423408459 405794597 /nfs/dbraw/zinc/79/45/97/405794597.db2.gz XNDBGODEOJPFQK-RBUKOAKNSA-N 1 3 313.445 2.150 20 0 DEADHO COCCN1CC[C@H]([NH2+][C@H](CN)c2ccc3ccccc3c2)C1 ZINC000423408459 405794602 /nfs/dbraw/zinc/79/46/02/405794602.db2.gz XNDBGODEOJPFQK-RBUKOAKNSA-N 1 3 313.445 2.150 20 0 DEADHO CCC1([NH+](C)C)CCN(C(=O)c2cc3c(s2)CCNC3)CC1 ZINC000638979320 405795461 /nfs/dbraw/zinc/79/54/61/405795461.db2.gz AOIBFMYHMPXZDW-UHFFFAOYSA-N 1 3 321.490 2.340 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](N)CC2CCCCC2)C1 ZINC000423420233 405799504 /nfs/dbraw/zinc/79/95/04/405799504.db2.gz AHRRLFJDNYLDHL-IAGOWNOFSA-N 1 3 309.498 2.474 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](N)CC2CCCCC2)C1 ZINC000423420233 405799514 /nfs/dbraw/zinc/79/95/14/405799514.db2.gz AHRRLFJDNYLDHL-IAGOWNOFSA-N 1 3 309.498 2.474 20 0 DEADHO C[C@@H]([NH2+]CCc1cncn1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000530513141 405817288 /nfs/dbraw/zinc/81/72/88/405817288.db2.gz JUOIMSMLOJIZGW-AEFFLSMTSA-N 1 3 312.461 2.463 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)C[C@@H]([NH3+])C(C)C)C2)cc1 ZINC000639006103 405818661 /nfs/dbraw/zinc/81/86/61/405818661.db2.gz SGEISNGMEMGHSG-DLBZAZTESA-N 1 3 303.450 2.059 20 0 DEADHO Fc1ccc([C@H](NCCC[C@@H]2CCC[NH2+]2)c2nnc[nH]2)cc1 ZINC000423483078 405821109 /nfs/dbraw/zinc/82/11/09/405821109.db2.gz PWTNHUGWWDMVSD-GJZGRUSLSA-N 1 3 303.385 2.155 20 0 DEADHO CN[C@H](CC(C)(C)C)C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000639024045 405826056 /nfs/dbraw/zinc/82/60/56/405826056.db2.gz NLTZMGBPMKEYFB-UKRRQHHQSA-N 1 3 303.450 2.175 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000423607691 405874325 /nfs/dbraw/zinc/87/43/25/405874325.db2.gz JVLFPVASVQVCSG-UHFFFAOYSA-N 1 3 315.461 2.354 20 0 DEADHO COCC[C@H](Cc1ccco1)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000639036990 405833807 /nfs/dbraw/zinc/83/38/07/405833807.db2.gz XAJPKMFTLHPUGH-MRXNPFEDSA-N 1 3 324.465 2.052 20 0 DEADHO N[C@@H](CC1CCCCC1)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000423508916 405833976 /nfs/dbraw/zinc/83/39/76/405833976.db2.gz LQJFQJHPOHTJIF-INIZCTEOSA-N 1 3 305.422 2.260 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CC3CC3)CC2)CC1 ZINC000561156644 405897347 /nfs/dbraw/zinc/89/73/47/405897347.db2.gz CFMJIHGLFJUWGR-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO C[NH+](C)CCCCC(=O)NCCCN1CCc2ccccc2C1 ZINC000560695162 405860973 /nfs/dbraw/zinc/86/09/73/405860973.db2.gz YJIFEOHAKRXSLS-UHFFFAOYSA-N 1 3 317.477 2.283 20 0 DEADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C[C@H]1CC[NH2+]C1 ZINC000423737584 405937425 /nfs/dbraw/zinc/93/74/25/405937425.db2.gz CSLOSQHSQPOKGW-CQSZACIVSA-N 1 3 323.868 2.230 20 0 DEADHO CC1CCN(CCNC(=O)NC(C)(C)CCC[NH+](C)C)CC1 ZINC000457693631 405953673 /nfs/dbraw/zinc/95/36/73/405953673.db2.gz OYKUXQPGWDANDH-UHFFFAOYSA-N 1 3 312.502 2.138 20 0 DEADHO CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@@H](CN)c1ccccc1 ZINC000423764767 405955498 /nfs/dbraw/zinc/95/54/98/405955498.db2.gz SXMPZFUOPIYMIZ-SFHVURJKSA-N 1 3 317.477 2.452 20 0 DEADHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H](CN)c1ccccc1 ZINC000423764767 405955501 /nfs/dbraw/zinc/95/55/01/405955501.db2.gz SXMPZFUOPIYMIZ-SFHVURJKSA-N 1 3 317.477 2.452 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000433228350 405903273 /nfs/dbraw/zinc/90/32/73/405903273.db2.gz OVHPIRDIYKJCOP-SJORKVTESA-N 1 3 301.434 2.105 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000433228350 405903281 /nfs/dbraw/zinc/90/32/81/405903281.db2.gz OVHPIRDIYKJCOP-SJORKVTESA-N 1 3 301.434 2.105 20 0 DEADHO CN1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000531151934 405916445 /nfs/dbraw/zinc/91/64/45/405916445.db2.gz XNKWCJDHHFQHCE-HZPDHXFCSA-N 1 3 307.482 2.099 20 0 DEADHO CN1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000531151934 405916456 /nfs/dbraw/zinc/91/64/56/405916456.db2.gz XNKWCJDHHFQHCE-HZPDHXFCSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H]1C[C@@H](N(C)C(=O)C2C[NH+](C3CCCCC3)C2)CCN1C ZINC000457606959 405918536 /nfs/dbraw/zinc/91/85/36/405918536.db2.gz RPJMXDGNBFFKPS-YOEHRIQHSA-N 1 3 307.482 2.192 20 0 DEADHO CN(C)CCN(C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])C1CCCC1 ZINC000423706294 405919117 /nfs/dbraw/zinc/91/91/17/405919117.db2.gz AWOBZYCQISEZBW-SFYZZRBRSA-N 1 3 321.509 2.473 20 0 DEADHO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCNC(C)(C)C1 ZINC000423714837 405924493 /nfs/dbraw/zinc/92/44/93/405924493.db2.gz YAXKYNYLHTVUGA-UHFFFAOYSA-N 1 3 315.417 2.318 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCN(C2CCOCC2)C[C@@H]1C ZINC000450884727 405986455 /nfs/dbraw/zinc/98/64/55/405986455.db2.gz SSVDGGYKXHHEMN-PKOBYXMFSA-N 1 3 323.525 2.434 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1CN1CCN(C2CCOCC2)C[C@@H]1C ZINC000450884727 405986457 /nfs/dbraw/zinc/98/64/57/405986457.db2.gz SSVDGGYKXHHEMN-PKOBYXMFSA-N 1 3 323.525 2.434 20 0 DEADHO CC(C)[C@@H](CNC(=O)[C@H]1CCCCCN1)[NH+]1CCC(C)CC1 ZINC000567616312 406106674 /nfs/dbraw/zinc/10/66/74/406106674.db2.gz ZJIQVVHDELXXQJ-IAGOWNOFSA-N 1 3 309.498 2.391 20 0 DEADHO O[C@@]1(CNCCc2ccco2)CC[N@H+](Cc2ccccc2)C1 ZINC000634698530 406231378 /nfs/dbraw/zinc/23/13/78/406231378.db2.gz OSBUNVFQLBWXKB-GOSISDBHSA-N 1 3 300.402 2.049 20 0 DEADHO O[C@@]1(CNCCc2ccco2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634698530 406231381 /nfs/dbraw/zinc/23/13/81/406231381.db2.gz OSBUNVFQLBWXKB-GOSISDBHSA-N 1 3 300.402 2.049 20 0 DEADHO C[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)N1CCN(c2ccccc2)CC1 ZINC000519834966 406261789 /nfs/dbraw/zinc/26/17/89/406261789.db2.gz NEUJZGPIJVGORH-KZNAEPCWSA-N 1 3 316.493 2.057 20 0 DEADHO N[C@H]1CCC[C@H]([NH2+]CC2(CN3CCOCC3)CCCCC2)C1 ZINC000569555283 406268022 /nfs/dbraw/zinc/26/80/22/406268022.db2.gz BCONQRZZZJBLTN-IRXDYDNUSA-N 1 3 309.498 2.129 20 0 DEADHO CC[NH+](CC)CCCNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000520184370 406271863 /nfs/dbraw/zinc/27/18/63/406271863.db2.gz DJCLSZWPQRRIIR-UHFFFAOYSA-N 1 3 312.502 2.234 20 0 DEADHO CC[NH+](CC)[C@H](C)CNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000487858991 406266578 /nfs/dbraw/zinc/26/65/78/406266578.db2.gz NGZIUWSCNRSYHW-YLFCFFPRSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCN2C2CCCC2)CC[N@@H+]1C ZINC000637474855 406321839 /nfs/dbraw/zinc/32/18/39/406321839.db2.gz JPIIZUBRXQTJAV-DJIMGWMZSA-N 1 3 322.497 2.127 20 0 DEADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCN2C2CCCC2)CC[N@H+]1C ZINC000637474855 406321843 /nfs/dbraw/zinc/32/18/43/406321843.db2.gz JPIIZUBRXQTJAV-DJIMGWMZSA-N 1 3 322.497 2.127 20 0 DEADHO CCCC[N@H+](C)CCNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000488957842 406364092 /nfs/dbraw/zinc/36/40/92/406364092.db2.gz VPPWFOJOJPSCQT-IXDOHACOSA-N 1 3 324.513 2.090 20 0 DEADHO CCCC[N@@H+](C)CCNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000488957842 406364096 /nfs/dbraw/zinc/36/40/96/406364096.db2.gz VPPWFOJOJPSCQT-IXDOHACOSA-N 1 3 324.513 2.090 20 0 DEADHO COc1cc2nccc(N[C@H]3CCC[NH2+]CC3)c2cc1OC ZINC000634813211 406297237 /nfs/dbraw/zinc/29/72/37/406297237.db2.gz BXKCQYXRNWZBHZ-LBPRGKRZSA-N 1 3 301.390 2.228 20 0 DEADHO CCC[N@H+](CC)CCNC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000489275348 406388490 /nfs/dbraw/zinc/38/84/90/406388490.db2.gz GZKJQDAMPIVCLT-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO CCC[N@@H+](CC)CCNC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000489275348 406388493 /nfs/dbraw/zinc/38/84/93/406388493.db2.gz GZKJQDAMPIVCLT-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)CC1 ZINC000640103042 406394357 /nfs/dbraw/zinc/39/43/57/406394357.db2.gz VRTRUBKAZPWHGB-QYZOEREBSA-N 1 3 323.525 2.028 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)CC1 ZINC000640103042 406394363 /nfs/dbraw/zinc/39/43/63/406394363.db2.gz VRTRUBKAZPWHGB-QYZOEREBSA-N 1 3 323.525 2.028 20 0 DEADHO C[C@@H]1C[C@H](N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)[C@@H](C)O1 ZINC000635003271 406395891 /nfs/dbraw/zinc/39/58/91/406395891.db2.gz BMJXRASJZVXQDT-CVFLJDHBSA-N 1 3 302.418 2.398 20 0 DEADHO COc1ccc2c(c1)C[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)CO2 ZINC000635008897 406398694 /nfs/dbraw/zinc/39/86/94/406398694.db2.gz FMUJJKDTMOFRBU-CABCVRRESA-N 1 3 304.434 2.367 20 0 DEADHO C[C@H]1CCCN(CCNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC000521895127 406375117 /nfs/dbraw/zinc/37/51/17/406375117.db2.gz DVAPAQHLKRTQNA-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H]1CCCN(CCNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC000521895127 406375121 /nfs/dbraw/zinc/37/51/21/406375121.db2.gz DVAPAQHLKRTQNA-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO NC[C@H]([NH2+]Cc1cnc(N2CCCC2)nc1)C1CCCCC1 ZINC000571531952 406532590 /nfs/dbraw/zinc/53/25/90/406532590.db2.gz CVCXDLLQSGWHGW-INIZCTEOSA-N 1 3 303.454 2.074 20 0 DEADHO C[C@H]1CCC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000527202720 406595368 /nfs/dbraw/zinc/59/53/68/406595368.db2.gz ZBEAATJHGFLDKU-JKSUJKDBSA-N 1 3 312.502 2.090 20 0 DEADHO C[C@H]1CCC[N@H+](CCNCCC(=O)Nc2cccc(F)c2)C1 ZINC000551431425 406620430 /nfs/dbraw/zinc/62/04/30/406620430.db2.gz VSCIZWKFNHEZDA-AWEZNQCLSA-N 1 3 307.413 2.476 20 0 DEADHO C[C@H]1CCC[N@@H+](CCNCCC(=O)Nc2cccc(F)c2)C1 ZINC000551431425 406620437 /nfs/dbraw/zinc/62/04/37/406620437.db2.gz VSCIZWKFNHEZDA-AWEZNQCLSA-N 1 3 307.413 2.476 20 0 DEADHO C[C@H](CC(=O)Nc1cccc2c1CCNC2)C1CC[NH2+]CC1 ZINC000571984478 406591212 /nfs/dbraw/zinc/59/12/12/406591212.db2.gz XXUNZWMJSPHQOM-CYBMUJFWSA-N 1 3 301.434 2.297 20 0 DEADHO Cc1ccccc1C[NH+]1CCN(CCCc2cncn2C)CC1 ZINC000572494104 406681334 /nfs/dbraw/zinc/68/13/34/406681334.db2.gz KLSDTGJXABJPQW-UHFFFAOYSA-N 1 3 312.461 2.479 20 0 DEADHO Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000572511740 406684209 /nfs/dbraw/zinc/68/42/09/406684209.db2.gz NTQUXFUOIJNLHG-BRWVUGGUSA-N 1 3 306.450 2.197 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000569239079 292400489 /nfs/dbraw/zinc/40/04/89/292400489.db2.gz WHJUYBCRZOZXAE-MAUKXSAKSA-N 1 3 315.461 2.064 20 0 DEADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC000635635148 406639802 /nfs/dbraw/zinc/63/98/02/406639802.db2.gz IESQTBNZRWJNJC-AEFFLSMTSA-N 1 3 319.493 2.194 20 0 DEADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC000635635148 406639810 /nfs/dbraw/zinc/63/98/10/406639810.db2.gz IESQTBNZRWJNJC-AEFFLSMTSA-N 1 3 319.493 2.194 20 0 DEADHO CC1(C)C[NH2+][C@H]1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000645808326 406641435 /nfs/dbraw/zinc/64/14/35/406641435.db2.gz IDUQARLPSCAYSM-HIFRSBDPSA-N 1 3 321.490 2.074 20 0 DEADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000646071474 406769011 /nfs/dbraw/zinc/76/90/11/406769011.db2.gz PIXXONWMMNYQGP-YXWQFLTLSA-N 1 3 321.490 2.245 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCC[C@@H](C[NH3+])C2)cc1 ZINC000572705745 406723826 /nfs/dbraw/zinc/72/38/26/406723826.db2.gz GGAFCVUXSODQQW-YOEHRIQHSA-N 1 3 318.465 2.190 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CC3(C[C@@H]2C)CCOCC3)CC1 ZINC000646096428 406779641 /nfs/dbraw/zinc/77/96/41/406779641.db2.gz HINBXHZCEYLIOM-SFHVURJKSA-N 1 3 323.525 2.294 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CC3(C[C@@H]2C)CCOCC3)CC1 ZINC000646096428 406779644 /nfs/dbraw/zinc/77/96/44/406779644.db2.gz HINBXHZCEYLIOM-SFHVURJKSA-N 1 3 323.525 2.294 20 0 DEADHO C[C@@H](C(=O)N1CCC2(C1)CC[NH+](C)CC2)N1CCCCCC1 ZINC000646250522 406825770 /nfs/dbraw/zinc/82/57/70/406825770.db2.gz ZWTIWTZVNQFRRG-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO O=C(C[C@H]1CCC[NH2+]1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000646409960 406859682 /nfs/dbraw/zinc/85/96/82/406859682.db2.gz HSOJZAVSICCHHM-MSOLQXFVSA-N 1 3 315.461 2.472 20 0 DEADHO [NH3+]Cc1cccc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000646580118 406883080 /nfs/dbraw/zinc/88/30/80/406883080.db2.gz XXVJSPWQCZPOSU-KRWDZBQOSA-N 1 3 324.428 2.391 20 0 DEADHO CN1CCC(NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000646601159 406884685 /nfs/dbraw/zinc/88/46/85/406884685.db2.gz XZRZEXLGPNJROU-SFHVURJKSA-N 1 3 315.461 2.076 20 0 DEADHO CCN(Cc1ccc(C(=O)NCC2CC[NH2+]CC2)cc1)C1CC1 ZINC000646614572 406886002 /nfs/dbraw/zinc/88/60/02/406886002.db2.gz SBEZJDPOBKRSAB-UHFFFAOYSA-N 1 3 315.461 2.400 20 0 DEADHO [NH3+]C[C@H]1CN(C[C@@H]2CCC3(CCCC3)O2)CC12CCOCC2 ZINC000641798643 406894783 /nfs/dbraw/zinc/89/47/83/406894783.db2.gz KMWYCPWGSWMKLI-HOTGVXAUSA-N 1 3 308.466 2.166 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)CO1 ZINC000647172060 406964434 /nfs/dbraw/zinc/96/44/34/406964434.db2.gz GWUURVVOMRKXOJ-MSOLQXFVSA-N 1 3 317.477 2.356 20 0 DEADHO Cc1ccc(-c2nn(C)cc2CNCC2=CC[N@H+](C)CC2)o1 ZINC000647199314 406970548 /nfs/dbraw/zinc/97/05/48/406970548.db2.gz YBOBWVUZBQSTGC-UHFFFAOYSA-N 1 3 300.406 2.340 20 0 DEADHO Cc1ccc(-c2nn(C)cc2CNCC2=CC[N@@H+](C)CC2)o1 ZINC000647199314 406970552 /nfs/dbraw/zinc/97/05/52/406970552.db2.gz YBOBWVUZBQSTGC-UHFFFAOYSA-N 1 3 300.406 2.340 20 0 DEADHO CC[C@@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)CC[C@@H]1[NH3+] ZINC000647009519 406940393 /nfs/dbraw/zinc/94/03/93/406940393.db2.gz FETPZSPSHJKAFT-AEFFLSMTSA-N 1 3 315.461 2.482 20 0 DEADHO C[C@@H]([NH3+])CNC(=O)c1ccccc1OCCN1CCCC[C@@H]1C ZINC000647022047 406942573 /nfs/dbraw/zinc/94/25/73/406942573.db2.gz UIWHLNFJNHQRIJ-CABCVRRESA-N 1 3 319.449 2.017 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)N[C@H]1CCC[NH2+]CC1 ZINC000643521709 407010127 /nfs/dbraw/zinc/01/01/27/407010127.db2.gz YNBNFJMJVGLVSJ-KBPBESRZSA-N 1 3 305.422 2.144 20 0 DEADHO COc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCNC3(CCC3)C1)CO2 ZINC000643548614 407013234 /nfs/dbraw/zinc/01/32/34/407013234.db2.gz RXSDQYBKAJPHJU-LSDHHAIUSA-N 1 3 302.418 2.263 20 0 DEADHO C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cn(-c2ccccc2)nn1 ZINC000647548610 407018777 /nfs/dbraw/zinc/01/87/77/407018777.db2.gz KSPRUXWWASVJOV-CAOSSQGBSA-N 1 3 311.433 2.306 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC2(C1)CC[NH+](C)CC2)N1CCCCC1 ZINC000647725044 407041321 /nfs/dbraw/zinc/04/13/21/407041321.db2.gz JTTCLHXZAVRXGI-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC000647767541 407048550 /nfs/dbraw/zinc/04/85/50/407048550.db2.gz RSXKKRUPRXUSLF-KBRIMQKVSA-N 1 3 303.450 2.266 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC000647767541 407048552 /nfs/dbraw/zinc/04/85/52/407048552.db2.gz RSXKKRUPRXUSLF-KBRIMQKVSA-N 1 3 303.450 2.266 20 0 DEADHO Cc1nc(CN2CCC(C[NH2+][C@H]3CCC[C@@H]3CN)CC2)oc1C ZINC000643452133 407001589 /nfs/dbraw/zinc/00/15/89/407001589.db2.gz GPFWJELXCZQSHQ-SJORKVTESA-N 1 3 320.481 2.220 20 0 DEADHO Cc1cc(C(F)(F)F)ccc1CN(C)CCN1CC[NH2+]CC1 ZINC000647492566 407007051 /nfs/dbraw/zinc/00/70/51/407007051.db2.gz KFRRHGVAERGAPZ-UHFFFAOYSA-N 1 3 315.383 2.351 20 0 DEADHO O=C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)NC1CCCCC1 ZINC000647975312 407091542 /nfs/dbraw/zinc/09/15/42/407091542.db2.gz VRLICMIEHAIQQM-HZPDHXFCSA-N 1 3 307.482 2.147 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647974996 407091955 /nfs/dbraw/zinc/09/19/55/407091955.db2.gz FJZJYWOTMAAGKB-XWTMOSNGSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H]1CN(CCCC2CC[NH2+]CC2)CCN1CC(F)F ZINC000647989684 407095221 /nfs/dbraw/zinc/09/52/21/407095221.db2.gz XEHRADSJZCUEIX-HNNXBMFYSA-N 1 3 303.441 2.428 20 0 DEADHO CCC[NH+]1CCC(N[C@H]2CCCc3c2ccc(=O)n3C)CC1 ZINC000647908770 407072327 /nfs/dbraw/zinc/07/23/27/407072327.db2.gz GSUNBDSKKUYAGT-INIZCTEOSA-N 1 3 303.450 2.227 20 0 DEADHO Cc1ccccc1OCCC[N@@H+](C)C[C@@H](O)CN(C)C(C)C ZINC000647960010 407085628 /nfs/dbraw/zinc/08/56/28/407085628.db2.gz ZFVRWVNOJXDQOH-QGZVFWFLSA-N 1 3 308.466 2.397 20 0 DEADHO Cc1ccccc1OCCC[N@H+](C)C[C@@H](O)CN(C)C(C)C ZINC000647960010 407085631 /nfs/dbraw/zinc/08/56/31/407085631.db2.gz ZFVRWVNOJXDQOH-QGZVFWFLSA-N 1 3 308.466 2.397 20 0 DEADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCc2ccccc2[C@H]1CN ZINC000648199106 407136853 /nfs/dbraw/zinc/13/68/53/407136853.db2.gz QSUBJABUOPDIJN-JKSUJKDBSA-N 1 3 303.450 2.095 20 0 DEADHO C[C@H]([NH2+]C[C@@H](O)CN(C)Cc1ccccc1)C(C)(C)CN(C)C ZINC000644574198 407144543 /nfs/dbraw/zinc/14/45/43/407144543.db2.gz SHSXIXRWWNLBIU-FUHWJXTLSA-N 1 3 321.509 2.045 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N(CCC)[C@@H]2CCN(C)C2)CC1 ZINC000645235674 407251475 /nfs/dbraw/zinc/25/14/75/407251475.db2.gz YPHCEXKCHKLESL-QGZVFWFLSA-N 1 3 324.513 2.377 20 0 DEADHO CCCN(C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1)[C@H]1CCN(C)C1 ZINC000645162713 407240291 /nfs/dbraw/zinc/24/02/91/407240291.db2.gz QJXXGKJOGHOTCY-ULQDDVLXSA-N 1 3 324.513 2.233 20 0 DEADHO CCCN(C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1)[C@H]1CCN(C)C1 ZINC000645162713 407240294 /nfs/dbraw/zinc/24/02/94/407240294.db2.gz QJXXGKJOGHOTCY-ULQDDVLXSA-N 1 3 324.513 2.233 20 0 DEADHO CCCN(C(=O)NC[C@H](C)C[NH+]1CCCCC1)[C@H]1CCN(C)C1 ZINC000645195963 407245070 /nfs/dbraw/zinc/24/50/70/407245070.db2.gz CCNFQOUUIAMUSJ-IRXDYDNUSA-N 1 3 324.513 2.234 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)c1ccsc1 ZINC000645485165 407284251 /nfs/dbraw/zinc/28/42/51/407284251.db2.gz HXXKTMOTHZWKGH-UONOGXRCSA-N 1 3 309.479 2.245 20 0 DEADHO C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)[NH+]1CCC(C)CC1 ZINC000078724344 286873195 /nfs/dbraw/zinc/87/31/95/286873195.db2.gz LDJNCSLMJHPLGP-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000131974928 196215605 /nfs/dbraw/zinc/21/56/05/196215605.db2.gz KWWXQOKWQOXLIZ-QGZVFWFLSA-N 1 3 309.498 2.299 20 0 DEADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCN2CCC(O)CC2)CC1 ZINC000449643969 287288395 /nfs/dbraw/zinc/28/83/95/287288395.db2.gz CTIJKTTUTGJKNH-APWZRJJASA-N 1 3 323.525 2.076 20 0 DEADHO CN(C)Cc1cccc(C(=O)N(C)CC2([NH+](C)C)CCC2)c1 ZINC000189523865 225054373 /nfs/dbraw/zinc/05/43/73/225054373.db2.gz SQVVYLGHIFNFFR-UHFFFAOYSA-N 1 3 303.450 2.305 20 0 DEADHO C[C@H]([NH3+])CCC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000193319395 225156558 /nfs/dbraw/zinc/15/65/58/225156558.db2.gz JULAIEXJOKGMFQ-ZENOOKHLSA-N 1 3 309.479 2.375 20 0 DEADHO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000411992700 227572867 /nfs/dbraw/zinc/57/28/67/227572867.db2.gz ZRCHKOSQPYGXMO-GOSISDBHSA-N 1 3 315.461 2.449 20 0 DEADHO N[C@H](CNC(=O)N(CCC[NH3+])CC1CCCC1)c1ccccc1 ZINC000418456510 229355386 /nfs/dbraw/zinc/35/53/86/229355386.db2.gz SXEJJOLRXRKGQS-QGZVFWFLSA-N 1 3 318.465 2.237 20 0 DEADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418472367 229360207 /nfs/dbraw/zinc/36/02/07/229360207.db2.gz WMVFYHKWMHVUJY-NVXWUHKLSA-N 1 3 324.513 2.280 20 0 DEADHO NC[C@@H](NC(=O)NCC1([NH3+])CCC1)c1ccc2ccccc2c1 ZINC000418497148 229367368 /nfs/dbraw/zinc/36/73/68/229367368.db2.gz HAISLIYJIZLFMW-MRXNPFEDSA-N 1 3 312.417 2.020 20 0 DEADHO COCCN(C)CC[C@H](N[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000422712350 230171929 /nfs/dbraw/zinc/17/19/29/230171929.db2.gz ILQIOXQKZQLLLU-MOPGFXCFSA-N 1 3 319.493 2.428 20 0 DEADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000422720550 230177409 /nfs/dbraw/zinc/17/74/09/230177409.db2.gz SQVTVYAFRAOXAB-ZBFHGGJFSA-N 1 3 324.428 2.305 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cc(F)ccc1N1CCOCC1 ZINC000422776789 230204123 /nfs/dbraw/zinc/20/41/23/230204123.db2.gz DXQAATUCBQMOGV-RHSMWYFYSA-N 1 3 321.440 2.269 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCOC[C@H]1CCCO1 ZINC000422793249 230212079 /nfs/dbraw/zinc/21/20/79/230212079.db2.gz WTZHSMAANDSIHE-XJKSGUPXSA-N 1 3 307.438 2.085 20 0 DEADHO NC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000422860825 230249021 /nfs/dbraw/zinc/24/90/21/230249021.db2.gz LWEWFWGWBJSHPL-GUYCJALGSA-N 1 3 319.424 2.147 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCOCc1ccc(Cl)cc1 ZINC000423001810 230312711 /nfs/dbraw/zinc/31/27/11/230312711.db2.gz ILVIXSJJGMFBGM-APHBMKBZSA-N 1 3 312.841 2.199 20 0 DEADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000423010408 230314571 /nfs/dbraw/zinc/31/45/71/230314571.db2.gz GEWZBZISUJMEDU-FGTMMUONSA-N 1 3 315.461 2.142 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000423073998 230341179 /nfs/dbraw/zinc/34/11/79/230341179.db2.gz KLJMBIGWLDGTBV-KSZLIROESA-N 1 3 319.518 2.321 20 0 DEADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CSCCN1Cc1ccccc1 ZINC000423073998 230341185 /nfs/dbraw/zinc/34/11/85/230341185.db2.gz KLJMBIGWLDGTBV-KSZLIROESA-N 1 3 319.518 2.321 20 0 DEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@](C)(CO)c1ccccc1 ZINC000423099021 230349295 /nfs/dbraw/zinc/34/92/95/230349295.db2.gz AATPAXSSMNYMRA-FFZOFVMBSA-N 1 3 312.457 2.485 20 0 DEADHO O=C1C[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)[C@@H]2CCCCN12 ZINC000423115547 230356249 /nfs/dbraw/zinc/35/62/49/230356249.db2.gz NMDZBIOKGUROHM-MTSZKFMLSA-N 1 3 305.466 2.040 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000155674117 424862304 /nfs/dbraw/zinc/86/23/04/424862304.db2.gz QJJNMAOQHMQATL-BBWFWOEESA-N 1 3 309.498 2.330 20 0 DEADHO CN(c1ccccc1C[NH2+]C1CCOCC1)C1CCN(C)CC1 ZINC000177563158 424864102 /nfs/dbraw/zinc/86/41/02/424864102.db2.gz OOLAOHXHZOZZHB-UHFFFAOYSA-N 1 3 317.477 2.486 20 0 DEADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000380945331 424908806 /nfs/dbraw/zinc/90/88/06/424908806.db2.gz OMMWOPLVTDMCOH-CGTJXYLNSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@@](O)(C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1)C(F)(F)F ZINC000309852981 424893919 /nfs/dbraw/zinc/89/39/19/424893919.db2.gz KGSFAEQIWKXKAV-HUUCEWRRSA-N 1 3 316.367 2.411 20 0 DEADHO CCN(CC)[C@H](CNC(=O)CC1([NH3+])CCC1)c1ccccc1 ZINC000316585468 424898700 /nfs/dbraw/zinc/89/87/00/424898700.db2.gz NHGLLIICAZBGPJ-MRXNPFEDSA-N 1 3 303.450 2.457 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2NCC2(C)C)CC1 ZINC000649378647 425005149 /nfs/dbraw/zinc/00/51/49/425005149.db2.gz QMSLYOPPIVSUBV-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2NCC2(C)C)CC1 ZINC000649378647 425005152 /nfs/dbraw/zinc/00/51/52/425005152.db2.gz QMSLYOPPIVSUBV-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@H]2NCC2(C)C)CC1 ZINC000649315029 424991384 /nfs/dbraw/zinc/99/13/84/424991384.db2.gz DOUDHFCYNJQYQT-MRXNPFEDSA-N 1 3 316.449 2.129 20 0 DEADHO C[C@@H](c1ccccc1)[C@@H](O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000649351897 424999268 /nfs/dbraw/zinc/99/92/68/424999268.db2.gz NEOIMLDDXPKBGF-LPHOPBHVSA-N 1 3 311.429 2.368 20 0 DEADHO CC[N@H+](CCCNC(=O)NC1CCN(C)CC1)C1CCCCC1 ZINC000650561757 425017580 /nfs/dbraw/zinc/01/75/80/425017580.db2.gz YKMWMNWKVYLQLH-UHFFFAOYSA-N 1 3 324.513 2.425 20 0 DEADHO CC[N@@H+](CCCNC(=O)NC1CCN(C)CC1)C1CCCCC1 ZINC000650561757 425017585 /nfs/dbraw/zinc/01/75/85/425017585.db2.gz YKMWMNWKVYLQLH-UHFFFAOYSA-N 1 3 324.513 2.425 20 0 DEADHO C[C@@H](CNC(=O)N(C)CCN1CCCCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000650643231 425029599 /nfs/dbraw/zinc/02/95/99/425029599.db2.gz YSSRADQJUXBOSY-IRXDYDNUSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H](CNC(=O)N(C)CCN1CCCCC1)[N@H+]1CCC[C@H](C)C1 ZINC000650643231 425029602 /nfs/dbraw/zinc/02/96/02/425029602.db2.gz YSSRADQJUXBOSY-IRXDYDNUSA-N 1 3 324.513 2.234 20 0 DEADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2cccc3c2OCO3)C1 ZINC000650722496 425043022 /nfs/dbraw/zinc/04/30/22/425043022.db2.gz VVHOMSIECPMAPR-BFYDXBDKSA-N 1 3 318.417 2.276 20 0 DEADHO Fc1ccc([C@H](NCCC2CC[NH2+]CC2)c2c[nH]nn2)cc1 ZINC000650762509 425048662 /nfs/dbraw/zinc/04/86/62/425048662.db2.gz CIHJFKHYYGTMIG-INIZCTEOSA-N 1 3 303.385 2.013 20 0 DEADHO CN(CCN1CCCCC1)C(=O)NCCCCC[NH+]1CCCC1 ZINC000651120549 425104631 /nfs/dbraw/zinc/10/46/31/425104631.db2.gz GRGODYNZTOEJJA-UHFFFAOYSA-N 1 3 324.513 2.380 20 0 DEADHO CC[N@H+](CCCNC(=O)NC[C@H](C)N(C)C)C1CCCCC1 ZINC000651137614 425105890 /nfs/dbraw/zinc/10/58/90/425105890.db2.gz IDJRKMCIPNLSJK-HNNXBMFYSA-N 1 3 312.502 2.280 20 0 DEADHO CC[N@@H+](CCCNC(=O)NC[C@H](C)N(C)C)C1CCCCC1 ZINC000651137614 425105893 /nfs/dbraw/zinc/10/58/93/425105893.db2.gz IDJRKMCIPNLSJK-HNNXBMFYSA-N 1 3 312.502 2.280 20 0 DEADHO CN(CCN1CCCCC1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000651142697 425106927 /nfs/dbraw/zinc/10/69/27/425106927.db2.gz RTAQXLLVFNWNBX-UHFFFAOYSA-N 1 3 322.497 2.131 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000651196849 425115329 /nfs/dbraw/zinc/11/53/29/425115329.db2.gz OXMLWXLMTGWPDS-GOSISDBHSA-N 1 3 324.513 2.092 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000651196849 425115332 /nfs/dbraw/zinc/11/53/32/425115332.db2.gz OXMLWXLMTGWPDS-GOSISDBHSA-N 1 3 324.513 2.092 20 0 DEADHO CN1CCN(CC[C@@H]2CCC[N@@H+]2C)[C@H](Cc2ccccc2)C1 ZINC000649828701 425087357 /nfs/dbraw/zinc/08/73/57/425087357.db2.gz PZJZOJSLDXGVDY-RBUKOAKNSA-N 1 3 301.478 2.329 20 0 DEADHO CN1CCN(CC[C@@H]2CCC[N@H+]2C)[C@H](Cc2ccccc2)C1 ZINC000649828701 425087358 /nfs/dbraw/zinc/08/73/58/425087358.db2.gz PZJZOJSLDXGVDY-RBUKOAKNSA-N 1 3 301.478 2.329 20 0 DEADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000660588702 425170991 /nfs/dbraw/zinc/17/09/91/425170991.db2.gz ZRPRIAJRUBQZML-CVEARBPZSA-N 1 3 312.502 2.136 20 0 DEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000660588702 425170998 /nfs/dbraw/zinc/17/09/98/425170998.db2.gz ZRPRIAJRUBQZML-CVEARBPZSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000666756134 425174935 /nfs/dbraw/zinc/17/49/35/425174935.db2.gz GZZBWGUHBDULDG-MRXNPFEDSA-N 1 3 324.513 2.138 20 0 DEADHO CN1CCC[C@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000653618905 425193092 /nfs/dbraw/zinc/19/30/92/425193092.db2.gz RGBJHWGDUTZOJL-DOTOQJQBSA-N 1 3 316.449 2.451 20 0 DEADHO [NH3+][C@H]1CCC[C@H](NCc2ccc(Cl)cc2-n2cncn2)C1 ZINC000666853880 425197840 /nfs/dbraw/zinc/19/78/40/425197840.db2.gz DGZNJYLKDYJYCE-KBPBESRZSA-N 1 3 305.813 2.280 20 0 DEADHO CCN(C(=O)NCCCC[NH+]1CCC(C)CC1)[C@H]1CCN(C)C1 ZINC000663654474 425205013 /nfs/dbraw/zinc/20/50/13/425205013.db2.gz LUXWKKJGXODQKL-KRWDZBQOSA-N 1 3 324.513 2.234 20 0 DEADHO CCN1C[C@H](C[NH2+]C2CCN(C3CCCCC3)CC2)CC1=O ZINC000651998368 425158035 /nfs/dbraw/zinc/15/80/35/425158035.db2.gz PEVCAWLHKMRXMV-HNNXBMFYSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1ccc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c(C)n1 ZINC000652349708 425245760 /nfs/dbraw/zinc/24/57/60/425245760.db2.gz ZTXFAIOCVXGDKT-RCCFBDPRSA-N 1 3 303.450 2.417 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000660840577 425253816 /nfs/dbraw/zinc/25/38/16/425253816.db2.gz ZKXZCYJZCVPVTM-SJORKVTESA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000660840577 425253819 /nfs/dbraw/zinc/25/38/19/425253819.db2.gz ZKXZCYJZCVPVTM-SJORKVTESA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H](CNC(=O)NC[C@H]1CCN1C(C)(C)C)[NH+]1CCC(C)CC1 ZINC000660846796 425255435 /nfs/dbraw/zinc/25/54/35/425255435.db2.gz IRPYAIYMZOYQSL-JKSUJKDBSA-N 1 3 324.513 2.279 20 0 DEADHO CC[C@H](C)N(CC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000663877096 425257275 /nfs/dbraw/zinc/25/72/75/425257275.db2.gz RBSCPVNWZBOVQM-HNNXBMFYSA-N 1 3 324.513 2.375 20 0 DEADHO C[C@H](NC(=O)NCCC1(C[NH3+])CC1)[C@@H](c1ccccc1)N(C)C ZINC000652191408 425209292 /nfs/dbraw/zinc/20/92/92/425209292.db2.gz TZOJEPPUKNHYNC-HOCLYGCPSA-N 1 3 318.465 2.106 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000664178975 425324487 /nfs/dbraw/zinc/32/44/87/425324487.db2.gz NQZANOXLTSPMGY-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000664178975 425324492 /nfs/dbraw/zinc/32/44/92/425324492.db2.gz NQZANOXLTSPMGY-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000664213289 425333275 /nfs/dbraw/zinc/33/32/75/425333275.db2.gz NIPCIXLFYQQAME-NVXWUHKLSA-N 1 3 322.497 2.177 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000664213289 425333278 /nfs/dbraw/zinc/33/32/78/425333278.db2.gz NIPCIXLFYQQAME-NVXWUHKLSA-N 1 3 322.497 2.177 20 0 DEADHO CC(C)C[C@@H](CNCc1ccnn1-c1ccncc1)[NH+](C)C ZINC000657305487 425297277 /nfs/dbraw/zinc/29/72/77/425297277.db2.gz YTBKALGOGJCPBE-KRWDZBQOSA-N 1 3 301.438 2.333 20 0 DEADHO CC(C)C[C@@H](C[NH2+]Cc1ccnn1-c1ccncc1)N(C)C ZINC000657305487 425297280 /nfs/dbraw/zinc/29/72/80/425297280.db2.gz YTBKALGOGJCPBE-KRWDZBQOSA-N 1 3 301.438 2.333 20 0 DEADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000661010071 425297912 /nfs/dbraw/zinc/29/79/12/425297912.db2.gz PJYSFECOGYARKG-CVEARBPZSA-N 1 3 322.497 2.056 20 0 DEADHO CCOc1ccc(C[NH2+]C[C@@H](O)CN2CCCCC2)c(C)c1 ZINC000657327664 425306276 /nfs/dbraw/zinc/30/62/76/425306276.db2.gz XIIWFHUQOSKIAX-QGZVFWFLSA-N 1 3 306.450 2.330 20 0 DEADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654422849 425350031 /nfs/dbraw/zinc/35/00/31/425350031.db2.gz RFDJADPPKXAGCI-ARFHVFGLSA-N 1 3 310.486 2.033 20 0 DEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654422849 425350034 /nfs/dbraw/zinc/35/00/34/425350034.db2.gz RFDJADPPKXAGCI-ARFHVFGLSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H](NC(=O)N[C@@H]1CCCN2CCCC[C@H]12)C1CC[NH+](C)CC1 ZINC000654452465 425357014 /nfs/dbraw/zinc/35/70/14/425357014.db2.gz SMPXRUKDNZCHBS-USXIJHARSA-N 1 3 322.497 2.033 20 0 DEADHO Cc1cccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000664315947 425359114 /nfs/dbraw/zinc/35/91/14/425359114.db2.gz XGMNIVBFGDYUAQ-HNNXBMFYSA-N 1 3 306.454 2.389 20 0 DEADHO Cc1cccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000664315947 425359120 /nfs/dbraw/zinc/35/91/20/425359120.db2.gz XGMNIVBFGDYUAQ-HNNXBMFYSA-N 1 3 306.454 2.389 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)cc1 ZINC000653049105 425389362 /nfs/dbraw/zinc/38/93/62/425389362.db2.gz TZAPEHDCVNGJET-SQNIBIBYSA-N 1 3 315.461 2.457 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H]2CCC[NH2+]CC2)C1 ZINC000653112971 425407983 /nfs/dbraw/zinc/40/79/83/425407983.db2.gz OLWTUFIXCGBPBU-BPQIPLTHSA-N 1 3 315.461 2.328 20 0 DEADHO C[C@H](Cn1cncn1)[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000657861406 425411282 /nfs/dbraw/zinc/41/12/82/425411282.db2.gz ROOCMEOUEQIWGH-CQSZACIVSA-N 1 3 319.478 2.230 20 0 DEADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cc(F)c(F)cc1F ZINC000657572960 425368235 /nfs/dbraw/zinc/36/82/35/425368235.db2.gz GYHYIGMMWOAWMR-LBPRGKRZSA-N 1 3 317.399 2.466 20 0 DEADHO CN(C)Cc1ccc(C(=O)NC(C)(C)C[NH+]2CCCC2)cc1 ZINC000654521905 425372576 /nfs/dbraw/zinc/37/25/76/425372576.db2.gz LRLUQYFLORZDFE-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@H]3CCCSC3)cc2)C1 ZINC000657597689 425374337 /nfs/dbraw/zinc/37/43/37/425374337.db2.gz WOGZUXNTVMVRNV-DLBZAZTESA-N 1 3 306.475 2.238 20 0 DEADHO CC[C@@H]1CCC[C@@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664401413 425376772 /nfs/dbraw/zinc/37/67/72/425376772.db2.gz RUVOPVHBQIWCAU-XHSDSOJGSA-N 1 3 312.502 2.136 20 0 DEADHO CC[C@@H]1CCC[C@@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664401413 425376775 /nfs/dbraw/zinc/37/67/75/425376775.db2.gz RUVOPVHBQIWCAU-XHSDSOJGSA-N 1 3 312.502 2.136 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654569599 425383845 /nfs/dbraw/zinc/38/38/45/425383845.db2.gz KXQHBQNHMQDDAP-IKGGRYGDSA-N 1 3 324.513 2.423 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654569599 425383847 /nfs/dbraw/zinc/38/38/47/425383847.db2.gz KXQHBQNHMQDDAP-IKGGRYGDSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H](C(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+])[C@H](N)c1ccccc1 ZINC000653233185 425439500 /nfs/dbraw/zinc/43/95/00/425439500.db2.gz RSGBJXHJGLNIJB-SRABZTEZSA-N 1 3 303.450 2.298 20 0 DEADHO C[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)[C@H]1CC[NH3+] ZINC000653240596 425441954 /nfs/dbraw/zinc/44/19/54/425441954.db2.gz PPASTYUYVKDHCX-PBHICJAKSA-N 1 3 303.450 2.338 20 0 DEADHO Cc1n[nH]cc1[C@@H](C)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658135906 425443011 /nfs/dbraw/zinc/44/30/11/425443011.db2.gz FVBFBAGJFCRTMY-CXAGYDPISA-N 1 3 314.433 2.136 20 0 DEADHO Cc1n[nH]cc1[C@@H](C)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658135906 425443014 /nfs/dbraw/zinc/44/30/14/425443014.db2.gz FVBFBAGJFCRTMY-CXAGYDPISA-N 1 3 314.433 2.136 20 0 DEADHO COC1([C@@H](C)[NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)CCC1 ZINC000658141652 425443331 /nfs/dbraw/zinc/44/33/31/425443331.db2.gz XLOZMKCMMCZNIW-CRAIPNDOSA-N 1 3 318.461 2.300 20 0 DEADHO Cc1nccn1CC[N@H+]1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000661636902 425468204 /nfs/dbraw/zinc/46/82/04/425468204.db2.gz ANJSJDRJFORRMU-LJQANCHMSA-N 1 3 312.461 2.440 20 0 DEADHO Cc1nccn1CC[N@@H+]1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000661636902 425468207 /nfs/dbraw/zinc/46/82/07/425468207.db2.gz ANJSJDRJFORRMU-LJQANCHMSA-N 1 3 312.461 2.440 20 0 DEADHO CC(C)(C)N1CCC([NH2+]CCN2C[C@@H]3CCCCN3C2=O)CC1 ZINC000658310245 425471162 /nfs/dbraw/zinc/47/11/62/425471162.db2.gz RYZAKGZUZUWPTJ-INIZCTEOSA-N 1 3 322.497 2.129 20 0 DEADHO C[N@H+](C[C@H](O)CN[C@H]1C[C@H](OC(C)(C)C)C12CCC2)C1CC1 ZINC000661839831 425510689 /nfs/dbraw/zinc/51/06/89/425510689.db2.gz KPWBABGHWUGUBC-PMPSAXMXSA-N 1 3 310.482 2.157 20 0 DEADHO C[N@@H+](C[C@H](O)CN[C@H]1C[C@H](OC(C)(C)C)C12CCC2)C1CC1 ZINC000661839831 425510692 /nfs/dbraw/zinc/51/06/92/425510692.db2.gz KPWBABGHWUGUBC-PMPSAXMXSA-N 1 3 310.482 2.157 20 0 DEADHO FC1(F)C[C@@H]1OCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665244675 425527009 /nfs/dbraw/zinc/52/70/09/425527009.db2.gz SVMJWTFLCREKEY-CWRNSKLLSA-N 1 3 324.371 2.256 20 0 DEADHO FC1(F)C[C@@H]1OCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665244674 425527423 /nfs/dbraw/zinc/52/74/23/425527423.db2.gz SVMJWTFLCREKEY-BPUTZDHNSA-N 1 3 324.371 2.256 20 0 DEADHO Fc1ccc(N2CCC([NH2+]CC34CC(C3)CN4)CC2)c(F)c1 ZINC000665277520 425534420 /nfs/dbraw/zinc/53/44/20/425534420.db2.gz DGPZPMXXTMJAIU-UHFFFAOYSA-N 1 3 307.388 2.275 20 0 DEADHO CC(C)[C@H](N)CC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000665281060 425535930 /nfs/dbraw/zinc/53/59/30/425535930.db2.gz SZDFKBGJFLSUMN-NXHRZFHOSA-N 1 3 304.482 2.255 20 0 DEADHO C[NH2+]CCCC(=O)N1CCC(N[C@@H](C)c2ccc(C)o2)CC1 ZINC000665285734 425536314 /nfs/dbraw/zinc/53/63/14/425536314.db2.gz VHDXGQOIQDSXQB-AWEZNQCLSA-N 1 3 307.438 2.229 20 0 DEADHO CC[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C)C1CC1 ZINC000661761906 425496394 /nfs/dbraw/zinc/49/63/94/425496394.db2.gz KROFDPUIDDWGOH-SJORKVTESA-N 1 3 303.450 2.184 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N1CCN(C2CCCC2)CC1 ZINC000665366651 425553853 /nfs/dbraw/zinc/55/38/53/425553853.db2.gz DZCNMQHPDSWPCM-INIZCTEOSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)N1CCN(C2CCCC2)CC1 ZINC000665366651 425553854 /nfs/dbraw/zinc/55/38/54/425553854.db2.gz DZCNMQHPDSWPCM-INIZCTEOSA-N 1 3 322.497 2.129 20 0 DEADHO CN(CCCNC(=O)[C@H]1C[C@]12CCC[NH2+]C2)Cc1ccccc1 ZINC000655443321 425568234 /nfs/dbraw/zinc/56/82/34/425568234.db2.gz QXSXZDOXRLIFSJ-MJGOQNOKSA-N 1 3 315.461 2.014 20 0 DEADHO Cc1cccc(CCC[NH+]2CCC(N3CC[C@H](O)C3)CC2)c1 ZINC000662153023 425577448 /nfs/dbraw/zinc/57/74/48/425577448.db2.gz MGEZVGYIRRIYCX-IBGZPJMESA-N 1 3 302.462 2.459 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)C1 ZINC000665555564 425596653 /nfs/dbraw/zinc/59/66/53/425596653.db2.gz GPAZWZMZMQHQEL-HUUCEWRRSA-N 1 3 310.486 2.031 20 0 DEADHO COCCN(C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H](C)c1ccccc1 ZINC000662251561 425602393 /nfs/dbraw/zinc/60/23/93/425602393.db2.gz GXXHWOYVXGYZCL-RDJZCZTQSA-N 1 3 304.434 2.217 20 0 DEADHO CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCC3(CNC3)O2)C1(CC)CC ZINC000662259357 425604503 /nfs/dbraw/zinc/60/45/03/425604503.db2.gz VPKGWXFTBYPMFP-HRCADAONSA-N 1 3 310.482 2.423 20 0 DEADHO CCO[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCC3(CNC3)O2)C1(CC)CC ZINC000662259357 425604505 /nfs/dbraw/zinc/60/45/05/425604505.db2.gz VPKGWXFTBYPMFP-HRCADAONSA-N 1 3 310.482 2.423 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@@H](C3CCC3)C2)CC1 ZINC000662041353 425549697 /nfs/dbraw/zinc/54/96/97/425549697.db2.gz YVWIQMSRQYIPLZ-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C[C@H]1NCc2ccccc21 ZINC000662404728 425643523 /nfs/dbraw/zinc/64/35/23/425643523.db2.gz UVMXCFIUCABJDO-IIDMSEBBSA-N 1 3 315.461 2.458 20 0 DEADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C[C@H]1NCc2ccccc21 ZINC000662404728 425643526 /nfs/dbraw/zinc/64/35/26/425643526.db2.gz UVMXCFIUCABJDO-IIDMSEBBSA-N 1 3 315.461 2.458 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662419717 425645740 /nfs/dbraw/zinc/64/57/40/425645740.db2.gz MPRCVPGWNODNDF-PBHICJAKSA-N 1 3 301.434 2.068 20 0 DEADHO CC(C)[N@H+]1CC[C@H](CNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662419717 425645743 /nfs/dbraw/zinc/64/57/43/425645743.db2.gz MPRCVPGWNODNDF-PBHICJAKSA-N 1 3 301.434 2.068 20 0 DEADHO CC[C@@H]([NH2+]C)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000662426395 425649059 /nfs/dbraw/zinc/64/90/59/425649059.db2.gz RVXHBHSGYPCFMA-UKRRQHHQSA-N 1 3 309.479 2.074 20 0 DEADHO CCCCN(C)C[C@H](C)[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000655768328 425649906 /nfs/dbraw/zinc/64/99/06/425649906.db2.gz VSAUEHUJTTVKDX-WMZOPIPTSA-N 1 3 311.514 2.340 20 0 DEADHO O=C(c1cc2c(s1)CCNC2)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000662452858 425654689 /nfs/dbraw/zinc/65/46/89/425654689.db2.gz PVOUJBAHADBBSH-AWEZNQCLSA-N 1 3 319.474 2.094 20 0 DEADHO C[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000662468485 425658700 /nfs/dbraw/zinc/65/87/00/425658700.db2.gz OQCJWDFIAFWQGN-YQQAZPJKSA-N 1 3 303.450 2.106 20 0 DEADHO C[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000662468480 425658786 /nfs/dbraw/zinc/65/87/86/425658786.db2.gz OQCJWDFIAFWQGN-HLLBOEOZSA-N 1 3 303.450 2.106 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CCN1C ZINC000662475804 425661681 /nfs/dbraw/zinc/66/16/81/425661681.db2.gz POCZOMYVVVHTAU-COXVUDFISA-N 1 3 315.461 2.278 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662485300 425662514 /nfs/dbraw/zinc/66/25/14/425662514.db2.gz OZTFZAHCRSJDEJ-YJBOKZPZSA-N 1 3 315.461 2.411 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662485300 425662518 /nfs/dbraw/zinc/66/25/18/425662518.db2.gz OZTFZAHCRSJDEJ-YJBOKZPZSA-N 1 3 315.461 2.411 20 0 DEADHO c1cc(CN2CCS[C@H]3COCC[C@H]32)c2c(c1)C[NH2+]CC2 ZINC000662283993 425613681 /nfs/dbraw/zinc/61/36/81/425613681.db2.gz DVPRDKINZAHGSJ-SJORKVTESA-N 1 3 304.459 2.039 20 0 DEADHO CCC(CC)NC(=O)[C@H](C)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290851 425614672 /nfs/dbraw/zinc/61/46/72/425614672.db2.gz LYWZUKGISHKOFK-GOEBONIOSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@@H](C)N[C@@H](CNC(=O)N(C)CC(C)(C)[NH3+])c1ccco1 ZINC000659491656 425615677 /nfs/dbraw/zinc/61/56/77/425615677.db2.gz CNYCSCPGAOUNHR-OLZOCXBDSA-N 1 3 310.442 2.088 20 0 DEADHO CN(C)Cc1cccc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)c1 ZINC000655686214 425628859 /nfs/dbraw/zinc/62/88/59/425628859.db2.gz ZMELQYLUGVATDO-LJQANCHMSA-N 1 3 317.477 2.091 20 0 DEADHO C(C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)CN1CCCCC1 ZINC000655692062 425630084 /nfs/dbraw/zinc/63/00/84/425630084.db2.gz DBCCATPNPNIERS-SFHVURJKSA-N 1 3 309.498 2.095 20 0 DEADHO CCC(C)(C)[C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665763807 425640418 /nfs/dbraw/zinc/64/04/18/425640418.db2.gz MKKFBPDARKQYRT-LSDHHAIUSA-N 1 3 314.518 2.382 20 0 DEADHO CCC(C)(C)[C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665763807 425640421 /nfs/dbraw/zinc/64/04/21/425640421.db2.gz MKKFBPDARKQYRT-LSDHHAIUSA-N 1 3 314.518 2.382 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](C2CC2)C1 ZINC000665762663 425640480 /nfs/dbraw/zinc/64/04/80/425640480.db2.gz LZTGIJPSJZJRBV-DOTOQJQBSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](C2CC2)C1 ZINC000665762663 425640483 /nfs/dbraw/zinc/64/04/83/425640483.db2.gz LZTGIJPSJZJRBV-DOTOQJQBSA-N 1 3 324.513 2.090 20 0 DEADHO CC[C@@H]1CC[C@@H](C)N1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665761076 425641356 /nfs/dbraw/zinc/64/13/56/425641356.db2.gz WIYNISPEYJIPFR-ARFHVFGLSA-N 1 3 312.502 2.231 20 0 DEADHO CC[C@@H]1CC[C@@H](C)N1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665761076 425641358 /nfs/dbraw/zinc/64/13/58/425641358.db2.gz WIYNISPEYJIPFR-ARFHVFGLSA-N 1 3 312.502 2.231 20 0 DEADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662563867 425682377 /nfs/dbraw/zinc/68/23/77/425682377.db2.gz JLENUYYBCVNJOC-CKEIUWERSA-N 1 3 301.434 2.102 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C[C@H](N)Cc2ccccc2)C1 ZINC000662589447 425687137 /nfs/dbraw/zinc/68/71/37/425687137.db2.gz CHAFJOLLBNFJPM-DLBZAZTESA-N 1 3 317.477 2.183 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C[C@H](N)Cc2ccccc2)C1 ZINC000662589447 425687140 /nfs/dbraw/zinc/68/71/40/425687140.db2.gz CHAFJOLLBNFJPM-DLBZAZTESA-N 1 3 317.477 2.183 20 0 DEADHO CN(C)C[C@@H]1CC[N@H+](CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000659926057 425691569 /nfs/dbraw/zinc/69/15/69/425691569.db2.gz LDTQPOBQMHVTIP-ZDUSSCGKSA-N 1 3 312.360 2.434 20 0 DEADHO CN(C)C[C@@H]1CC[N@@H+](CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000659926057 425691573 /nfs/dbraw/zinc/69/15/73/425691573.db2.gz LDTQPOBQMHVTIP-ZDUSSCGKSA-N 1 3 312.360 2.434 20 0 DEADHO CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)C[C@H](O)CN(C)C(C)C ZINC000659988347 425708343 /nfs/dbraw/zinc/70/83/43/425708343.db2.gz MJBVZHPWIFTWDB-MOPGFXCFSA-N 1 3 322.493 2.207 20 0 DEADHO CC(C)[C@H](CO)[N@H+](Cc1ccccc1)C[C@H](O)CN(C)C(C)C ZINC000659988347 425708348 /nfs/dbraw/zinc/70/83/48/425708348.db2.gz MJBVZHPWIFTWDB-MOPGFXCFSA-N 1 3 322.493 2.207 20 0 DEADHO C[N@H+](CCCNC(=O)C1(N)CC2(CCC2)C1)C1CCCCC1 ZINC000662680569 425710573 /nfs/dbraw/zinc/71/05/73/425710573.db2.gz JQFBHGIHIRGHJT-UHFFFAOYSA-N 1 3 307.482 2.419 20 0 DEADHO C[N@@H+](CCCNC(=O)C1(N)CC2(CCC2)C1)C1CCCCC1 ZINC000662680569 425710575 /nfs/dbraw/zinc/71/05/75/425710575.db2.gz JQFBHGIHIRGHJT-UHFFFAOYSA-N 1 3 307.482 2.419 20 0 DEADHO C[C@H](CNC(=O)c1cccc2c1CCNC2)[N@@H+]1CCCC[C@@H]1C ZINC000662678569 425710847 /nfs/dbraw/zinc/71/08/47/425710847.db2.gz GFPPGOMMPZFTRT-LSDHHAIUSA-N 1 3 315.461 2.325 20 0 DEADHO C[C@H](CNC(=O)c1cccc2c1CCNC2)[N@H+]1CCCC[C@@H]1C ZINC000662678569 425710849 /nfs/dbraw/zinc/71/08/49/425710849.db2.gz GFPPGOMMPZFTRT-LSDHHAIUSA-N 1 3 315.461 2.325 20 0 DEADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C2(NC3CC3)CCC2)C1 ZINC000662681517 425712000 /nfs/dbraw/zinc/71/20/00/425712000.db2.gz GZWBGITXPZJAJQ-GJZGRUSLSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCN(c3ccncc3)CC2)C1 ZINC000660002768 425712821 /nfs/dbraw/zinc/71/28/21/425712821.db2.gz AIEQDHNVHOBNJZ-CALCHBBNSA-N 1 3 302.466 2.182 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCN2CCN(c3ccncc3)CC2)C1 ZINC000660002768 425712823 /nfs/dbraw/zinc/71/28/23/425712823.db2.gz AIEQDHNVHOBNJZ-CALCHBBNSA-N 1 3 302.466 2.182 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000662694010 425714547 /nfs/dbraw/zinc/71/45/47/425714547.db2.gz NLQWEAHBCGTWDO-ZGOKBZQCSA-N 1 3 321.509 2.377 20 0 DEADHO C[C@H]1CCC[C@](CNC(=O)C2(NC3CC3)CCC2)([NH+](C)C)C1 ZINC000662694077 425714851 /nfs/dbraw/zinc/71/48/51/425714851.db2.gz ZILOTUZROUHJCL-YOEHRIQHSA-N 1 3 307.482 2.288 20 0 DEADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1CNCc2ccccc21 ZINC000662695278 425715460 /nfs/dbraw/zinc/71/54/60/425715460.db2.gz YTJHTUGEQPMACP-YJBOKZPZSA-N 1 3 315.461 2.110 20 0 DEADHO CN1CCC[C@@H](CNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)C1 ZINC000662699904 425715686 /nfs/dbraw/zinc/71/56/86/425715686.db2.gz DDMBPBACHKHUKB-YOEHRIQHSA-N 1 3 315.461 2.137 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cccc3c2CCNC3)C1 ZINC000662702169 425717451 /nfs/dbraw/zinc/71/74/51/425717451.db2.gz YBLZNHZRGGYYAD-OAHLLOKOSA-N 1 3 315.461 2.183 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cccc3c2CCNC3)C1 ZINC000662702169 425717454 /nfs/dbraw/zinc/71/74/54/425717454.db2.gz YBLZNHZRGGYYAD-OAHLLOKOSA-N 1 3 315.461 2.183 20 0 DEADHO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1CNCc2ccccc21 ZINC000662835857 425744721 /nfs/dbraw/zinc/74/47/21/425744721.db2.gz SMSMHCVGLZTCMT-KURKYZTESA-N 1 3 313.445 2.007 20 0 DEADHO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1CNCc2ccccc21 ZINC000662835857 425744726 /nfs/dbraw/zinc/74/47/26/425744726.db2.gz SMSMHCVGLZTCMT-KURKYZTESA-N 1 3 313.445 2.007 20 0 DEADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2C[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000662725967 425722920 /nfs/dbraw/zinc/72/29/20/425722920.db2.gz BWQIOTKRPSPAJF-DDBAPUKQSA-N 1 3 315.461 2.235 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H](c2cccc(F)c2)N2CCOCC2)C1 ZINC000656196084 425728453 /nfs/dbraw/zinc/72/84/53/425728453.db2.gz YHUBMFFPWKGYKD-KURKYZTESA-N 1 3 321.440 2.059 20 0 DEADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200557 425729489 /nfs/dbraw/zinc/72/94/89/425729489.db2.gz QNYACZSPVCTGQE-HSFUPAIVSA-N 1 3 311.514 2.385 20 0 DEADHO COCC1(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000656200308 425729816 /nfs/dbraw/zinc/72/98/16/425729816.db2.gz LKEILSRDWCFIKL-MAUKXSAKSA-N 1 3 302.418 2.259 20 0 DEADHO CC[C@H](CC(F)F)CN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000660074799 425730051 /nfs/dbraw/zinc/73/00/51/425730051.db2.gz QLAHSENJVHTBFH-CABCVRRESA-N 1 3 303.441 2.380 20 0 DEADHO CC[C@H](CC(F)F)CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000660074799 425730053 /nfs/dbraw/zinc/73/00/53/425730053.db2.gz QLAHSENJVHTBFH-CABCVRRESA-N 1 3 303.441 2.380 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000660283144 425782909 /nfs/dbraw/zinc/78/29/09/425782909.db2.gz MEJMVHFZPWSPMG-CYBMUJFWSA-N 1 3 310.486 2.079 20 0 DEADHO NC1(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC2(CCC2)C1 ZINC000662878157 425755141 /nfs/dbraw/zinc/75/51/41/425755141.db2.gz OVQSERYEWVNILF-AWEZNQCLSA-N 1 3 305.466 2.171 20 0 DEADHO NC1(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC2(CCC2)C1 ZINC000662878157 425755143 /nfs/dbraw/zinc/75/51/43/425755143.db2.gz OVQSERYEWVNILF-AWEZNQCLSA-N 1 3 305.466 2.171 20 0 DEADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cccc2c1CCNC2 ZINC000662886626 425757082 /nfs/dbraw/zinc/75/70/82/425757082.db2.gz IPWXRGLRQAEJCU-HNNXBMFYSA-N 1 3 315.461 2.183 20 0 DEADHO COc1cc2nccc(N3CCC(C[NH3+])CC3)c2cc1OC ZINC000663239037 425820422 /nfs/dbraw/zinc/82/04/22/425820422.db2.gz FFPLITIOMZAZEP-UHFFFAOYSA-N 1 3 301.390 2.427 20 0 DEADHO CC[NH+]1CCN(CCNc2cc(C)nc3ccc(F)cc32)CC1 ZINC000663399142 425835509 /nfs/dbraw/zinc/83/55/09/425835509.db2.gz SBTAWSHUYTWRQL-UHFFFAOYSA-N 1 3 316.424 2.154 20 0 DEADHO C[C@@H]1CN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CCN(C2CC2)C1 ZINC000333771922 268990615 /nfs/dbraw/zinc/99/06/15/268990615.db2.gz CCBNWICKLUDCEU-YOEHRIQHSA-N 1 3 322.497 2.020 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCCC3(C)C)CC2)CC1 ZINC000363708705 269072390 /nfs/dbraw/zinc/07/23/90/269072390.db2.gz AUMDFHQEPOYSCD-KRWDZBQOSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CCO1 ZINC000397680724 269106787 /nfs/dbraw/zinc/10/67/87/269106787.db2.gz LPIKJAHGJSKLIX-AEFFLSMTSA-N 1 3 318.461 2.171 20 0 DEADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](N)C1CCC1 ZINC000399021991 269110297 /nfs/dbraw/zinc/11/02/97/269110297.db2.gz IFOSJTDLJFABFG-SJLPKXTDSA-N 1 3 315.461 2.094 20 0 DEADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](N)C1CCC1 ZINC000399021991 269110299 /nfs/dbraw/zinc/11/02/99/269110299.db2.gz IFOSJTDLJFABFG-SJLPKXTDSA-N 1 3 315.461 2.094 20 0 DEADHO COCCOCc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423143231 269115439 /nfs/dbraw/zinc/11/54/39/269115439.db2.gz WOKAZRXTLRQHGA-MSOLQXFVSA-N 1 3 306.450 2.457 20 0 DEADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1cccc(F)c1 ZINC000423144378 269115505 /nfs/dbraw/zinc/11/55/05/269115505.db2.gz GUCBPYWPOGIZII-WNRNVDISSA-N 1 3 306.425 2.239 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000423142587 269115562 /nfs/dbraw/zinc/11/55/62/269115562.db2.gz AQBMIXFYCYFRIR-RYUDHWBXSA-N 1 3 318.870 2.219 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1CCCN1C1CC1 ZINC000494277824 269148639 /nfs/dbraw/zinc/14/86/39/269148639.db2.gz UXYMNXCYEMPZMR-WBVHZDCISA-N 1 3 307.482 2.384 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCCN1C1CC1 ZINC000494277824 269148640 /nfs/dbraw/zinc/14/86/40/269148640.db2.gz UXYMNXCYEMPZMR-WBVHZDCISA-N 1 3 307.482 2.384 20 0 DEADHO CC(C)COC(=O)N1CCC([NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000495931538 269186267 /nfs/dbraw/zinc/18/62/67/269186267.db2.gz GJPWTAVDZNULSC-GOEBONIOSA-N 1 3 311.470 2.351 20 0 DEADHO CCOC(=O)N1CCC([C@@H](C)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000496470556 269221142 /nfs/dbraw/zinc/22/11/42/269221142.db2.gz OXSZFSTVMPRBDP-SLHHOWHOSA-N 1 3 309.454 2.116 20 0 DEADHO CC(C)(C[NH2+]C[C@H](O)COc1ccccc1F)CN1CCCC1 ZINC000514932066 269337626 /nfs/dbraw/zinc/33/76/26/269337626.db2.gz BACOMSNDYYVBHB-HNNXBMFYSA-N 1 3 324.440 2.277 20 0 DEADHO CC[C@@H]1C[C@H]1CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000514953743 269338583 /nfs/dbraw/zinc/33/85/83/269338583.db2.gz ZXRBVUAIMLVOKT-WBVHZDCISA-N 1 3 321.509 2.345 20 0 DEADHO C[NH2+][C@@H](C)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000516088013 269357625 /nfs/dbraw/zinc/35/76/25/269357625.db2.gz GVUOYBSVFHXOEU-DOTOQJQBSA-N 1 3 303.450 2.184 20 0 DEADHO COC(=O)[C@H](C)Oc1ccc(CN2CCC(CC[NH3+])CC2)cc1 ZINC000516574403 269364297 /nfs/dbraw/zinc/36/42/97/269364297.db2.gz PXVDIAFMFGNKAB-AWEZNQCLSA-N 1 3 320.433 2.188 20 0 DEADHO O=C(CC[NH2+]C[C@@H]1CCN(C2CC2)C1)Nc1cccc(F)c1 ZINC000517231090 269380500 /nfs/dbraw/zinc/38/05/00/269380500.db2.gz PYHQCQCFDFRURB-ZDUSSCGKSA-N 1 3 305.397 2.228 20 0 DEADHO O=C(CCNC[C@@H]1CC[N@@H+](C2CC2)C1)Nc1cccc(F)c1 ZINC000517231090 269380502 /nfs/dbraw/zinc/38/05/02/269380502.db2.gz PYHQCQCFDFRURB-ZDUSSCGKSA-N 1 3 305.397 2.228 20 0 DEADHO O=C(CCNC[C@@H]1CC[N@H+](C2CC2)C1)Nc1cccc(F)c1 ZINC000517231090 269380504 /nfs/dbraw/zinc/38/05/04/269380504.db2.gz PYHQCQCFDFRURB-ZDUSSCGKSA-N 1 3 305.397 2.228 20 0 DEADHO CCCN(C(=O)N[C@@H](C)CN1CCC(C)CC1)C1CC[NH2+]CC1 ZINC000517246809 269381331 /nfs/dbraw/zinc/38/13/31/269381331.db2.gz JKHIXOJJENLWKM-INIZCTEOSA-N 1 3 324.513 2.280 20 0 DEADHO COc1ccc2c(c1)[C@H]([NH2+]CC1(O)CCN(C)CC1)CCC2 ZINC000269065673 274135519 /nfs/dbraw/zinc/13/55/19/274135519.db2.gz VKFQGVDZWRFCFV-QGZVFWFLSA-N 1 3 304.434 2.119 20 0 DEADHO CC(C)[C@H](CO)CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423105401 275700837 /nfs/dbraw/zinc/70/08/37/275700837.db2.gz ILOMRVLJNYADDH-ZVZYQTTQSA-N 1 3 304.434 2.096 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCCC[C@@H]2C[NH3+])cc1 ZINC000418358216 275745644 /nfs/dbraw/zinc/74/56/44/275745644.db2.gz RESXHUPJRPVBHQ-SJORKVTESA-N 1 3 318.465 2.333 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)C2(C[NH3+])CCCC2)cc1 ZINC000428911868 276056220 /nfs/dbraw/zinc/05/62/20/276056220.db2.gz GOYUNYPBHWWXLX-INIZCTEOSA-N 1 3 303.450 2.445 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)CN)c1ccc(C(F)(F)F)cc1 ZINC000236821934 276113304 /nfs/dbraw/zinc/11/33/04/276113304.db2.gz AHIGEJVAILHNIU-ZDUSSCGKSA-N 1 3 317.355 2.163 20 0 DEADHO CCCCCNC(=O)[C@H](C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374156351 276228485 /nfs/dbraw/zinc/22/84/85/276228485.db2.gz CQRFQKVRTNCQKY-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO C[NH2+]CC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000195146440 277020737 /nfs/dbraw/zinc/02/07/37/277020737.db2.gz JGSVJZIJTXCKKK-UHFFFAOYSA-N 1 3 311.429 2.251 20 0 DEADHO CNCC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000195146440 277020738 /nfs/dbraw/zinc/02/07/38/277020738.db2.gz JGSVJZIJTXCKKK-UHFFFAOYSA-N 1 3 311.429 2.251 20 0 DEADHO C[NH2+]C[C@H](C)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000165897303 277281094 /nfs/dbraw/zinc/28/10/94/277281094.db2.gz UNCLEMSMNJENDE-DOTOQJQBSA-N 1 3 303.450 2.013 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000422175491 277390480 /nfs/dbraw/zinc/39/04/80/277390480.db2.gz ALIAJMQDYXUBIB-IRXDYDNUSA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000422175491 277390482 /nfs/dbraw/zinc/39/04/82/277390482.db2.gz ALIAJMQDYXUBIB-IRXDYDNUSA-N 1 3 324.513 2.090 20 0 DEADHO COC[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)C1CC1 ZINC000305184074 277597966 /nfs/dbraw/zinc/59/79/66/277597966.db2.gz WVYCUSMIXCAGIQ-IBGZPJMESA-N 1 3 318.461 2.158 20 0 DEADHO C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)COC[C@H]1CCOC1 ZINC000422776159 277719850 /nfs/dbraw/zinc/71/98/50/277719850.db2.gz DEXOQKYUMKYZAG-XMTFNYHQSA-N 1 3 310.482 2.330 20 0 DEADHO C[C@@H]1CC[C@H]([NH2+]CC(=O)NCCN2CCCCCC2)C[C@H]1C ZINC000353669121 277796839 /nfs/dbraw/zinc/79/68/39/277796839.db2.gz BMKFWTOSDYKJPY-ZACQAIPSSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)(C(=O)N1CCC2(C1)CC[NH2+]CC2)[C@H](N)c1ccccc1 ZINC000417799900 278261443 /nfs/dbraw/zinc/26/14/43/278261443.db2.gz BMVDPFZZGHNPJT-MRXNPFEDSA-N 1 3 315.461 2.315 20 0 DEADHO C[C@@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)C1=CCN(C)CC1 ZINC000416199694 278322169 /nfs/dbraw/zinc/32/21/69/278322169.db2.gz ODCSVKZGCJJOMS-QAPCUYQASA-N 1 3 315.461 2.446 20 0 DEADHO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1=CCN(C)CC1 ZINC000358393499 278329195 /nfs/dbraw/zinc/32/91/95/278329195.db2.gz IAAALBXOHNHFCC-PBHICJAKSA-N 1 3 305.466 2.160 20 0 DEADHO C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1=CCN(C)CC1 ZINC000358393499 278329196 /nfs/dbraw/zinc/32/91/96/278329196.db2.gz IAAALBXOHNHFCC-PBHICJAKSA-N 1 3 305.466 2.160 20 0 DEADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC000376561487 278541719 /nfs/dbraw/zinc/54/17/19/278541719.db2.gz IPFAKRWLKJQYGS-MAUKXSAKSA-N 1 3 315.461 2.447 20 0 DEADHO CCC1(CC)[C@H]([NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)C[C@H]1OC ZINC000362033753 278636141 /nfs/dbraw/zinc/63/61/41/278636141.db2.gz VFGHIEQOEPXZDW-KBAYOESNSA-N 1 3 323.525 2.338 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000423068795 279082654 /nfs/dbraw/zinc/08/26/54/279082654.db2.gz CRYUDLAKFDMMTI-GUYCJALGSA-N 1 3 317.408 2.242 20 0 DEADHO CC(C)C[C@H](CN(C)C)NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106534888 279128180 /nfs/dbraw/zinc/12/81/80/279128180.db2.gz HSKYDSUASHHATM-HZPDHXFCSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)C[C@H](CN(C)C)NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106534888 279128181 /nfs/dbraw/zinc/12/81/81/279128181.db2.gz HSKYDSUASHHATM-HZPDHXFCSA-N 1 3 324.513 2.279 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CC[C@@H](C)C3(CCC3)C2)CC1 ZINC000357021408 279259946 /nfs/dbraw/zinc/25/99/46/279259946.db2.gz HNEIMPHJULIZBG-OAHLLOKOSA-N 1 3 307.482 2.099 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000368575269 279269765 /nfs/dbraw/zinc/26/97/65/279269765.db2.gz GOLBQCQBIQABLF-MRXNPFEDSA-N 1 3 322.497 2.131 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC000448850956 279302045 /nfs/dbraw/zinc/30/20/45/279302045.db2.gz ACRIEAPIPAPEOE-WNRNVDISSA-N 1 3 321.509 2.297 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC000448850956 279302049 /nfs/dbraw/zinc/30/20/49/279302049.db2.gz ACRIEAPIPAPEOE-WNRNVDISSA-N 1 3 321.509 2.297 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000246577359 279310929 /nfs/dbraw/zinc/31/09/29/279310929.db2.gz ZQCMCRTZOAJCQS-IAGOWNOFSA-N 1 3 318.465 2.073 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000246577359 279310932 /nfs/dbraw/zinc/31/09/32/279310932.db2.gz ZQCMCRTZOAJCQS-IAGOWNOFSA-N 1 3 318.465 2.073 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CCCC[C@H]1C ZINC000430739839 279341839 /nfs/dbraw/zinc/34/18/39/279341839.db2.gz AMSYWSUWUAYZCZ-HHARLNAUSA-N 1 3 307.482 2.286 20 0 DEADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(C(=O)N(C)C)cc2)C1 ZINC000292065889 279396114 /nfs/dbraw/zinc/39/61/14/279396114.db2.gz HBUXFJHIIIQJCI-CABCVRRESA-N 1 3 303.450 2.381 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297574984 288132045 /nfs/dbraw/zinc/13/20/45/288132045.db2.gz IAWFKJOUMYEUPX-RDTXWAMCSA-N 1 3 300.450 2.123 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C[C@H](C)O1 ZINC000248819697 288161282 /nfs/dbraw/zinc/16/12/82/288161282.db2.gz WJNAAGUFLFJPPL-MDMSPXHWSA-N 1 3 322.493 2.423 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)N2CCN(CC3CCCCC3)CC2)CC[NH2+]1 ZINC000418601055 279958999 /nfs/dbraw/zinc/95/89/99/279958999.db2.gz LHPTXPSCIAZFIF-RDJZCZTQSA-N 1 3 322.497 2.034 20 0 DEADHO CC[C@]1(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CCC[NH2+]1 ZINC000128970868 281301879 /nfs/dbraw/zinc/30/18/79/281301879.db2.gz UHKYRWKNAAYOBY-IEBWSBKVSA-N 1 3 315.461 2.472 20 0 DEADHO CCc1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)sc1C ZINC000103211073 281651392 /nfs/dbraw/zinc/65/13/92/281651392.db2.gz WQWBACRLCQHIKS-UHFFFAOYSA-N 1 3 311.495 2.184 20 0 DEADHO Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000120872008 281747826 /nfs/dbraw/zinc/74/78/26/281747826.db2.gz FVOJHCCGISPFGB-HUUCEWRRSA-N 1 3 323.506 2.112 20 0 DEADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000355384674 282010402 /nfs/dbraw/zinc/01/04/02/282010402.db2.gz QGSVOPYEOFQDSV-DOTOQJQBSA-N 1 3 319.493 2.442 20 0 DEADHO CN1CCC(N(Cc2ccccc2)C(=O)/C=C\C[NH+](C)C)CC1 ZINC000492070173 289039296 /nfs/dbraw/zinc/03/92/96/289039296.db2.gz VAQBPXBIHUQAMX-YFHOEESVSA-N 1 3 315.461 2.227 20 0 DEADHO CN(C)C[C@@H](NC(=O)[C@H]([NH3+])CC(F)F)c1ccc(Cl)cc1 ZINC000423771916 289188995 /nfs/dbraw/zinc/18/89/95/289188995.db2.gz KEVLFLMIVHXUDZ-VXGBXAGGSA-N 1 3 319.783 2.041 20 0 DEADHO C[C@H](C(=O)N1CCCCCC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357072689 289266073 /nfs/dbraw/zinc/26/60/73/289266073.db2.gz HNVSOUXOJZFWSU-WBVHZDCISA-N 1 3 307.482 2.099 20 0 DEADHO CN(C)[C@@H](CNC(=O)[C@H](C[NH3+])c1ccccc1)c1ccccc1 ZINC000237146308 289285776 /nfs/dbraw/zinc/28/57/76/289285776.db2.gz KUUNPSIIMIQVCV-MSOLQXFVSA-N 1 3 311.429 2.148 20 0 DEADHO C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@H](N3CCCCC3)C2)cc1 ZINC000423385342 289795303 /nfs/dbraw/zinc/79/53/03/289795303.db2.gz QTMCUIDVAVZYLA-YOEHRIQHSA-N 1 3 301.434 2.407 20 0 DEADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(C)(C)N)cc1 ZINC000237518506 290392403 /nfs/dbraw/zinc/39/24/03/290392403.db2.gz WZOSYDWTEOYXJQ-AWEZNQCLSA-N 1 3 303.450 2.415 20 0 DEADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C(C)(C)N)cc1 ZINC000237518506 290392405 /nfs/dbraw/zinc/39/24/05/290392405.db2.gz WZOSYDWTEOYXJQ-AWEZNQCLSA-N 1 3 303.450 2.415 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2ccsc2)C1 ZINC000414671104 295216122 /nfs/dbraw/zinc/21/61/22/295216122.db2.gz FGXUWSXAVJUXPK-DZGCQCFKSA-N 1 3 307.463 2.082 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2ccsc2)C1 ZINC000414671104 295216123 /nfs/dbraw/zinc/21/61/23/295216123.db2.gz FGXUWSXAVJUXPK-DZGCQCFKSA-N 1 3 307.463 2.082 20 0 DEADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CNCCCO2)cc1OC ZINC000423484766 295239021 /nfs/dbraw/zinc/23/90/21/295239021.db2.gz AFEWELUCYICLDT-IIAWOOMASA-N 1 3 322.449 2.164 20 0 DEADHO COc1ccc([C@H](C)[C@@H](C)NC[C@H]2C[NH2+]CCCO2)cc1OC ZINC000423484766 295239022 /nfs/dbraw/zinc/23/90/22/295239022.db2.gz AFEWELUCYICLDT-IIAWOOMASA-N 1 3 322.449 2.164 20 0 DEADHO C[C@H](C(=O)N1C[C@@H]([NH3+])Cc2ccccc21)N1CCCCCC1 ZINC000424086512 298096151 /nfs/dbraw/zinc/09/61/51/298096151.db2.gz ZGPMQOXROVVMDN-ZBFHGGJFSA-N 1 3 301.434 2.168 20 0 DEADHO Cc1cc(C[NH3+])cc(NC(=O)NC[C@]2(N(C)C)CCSC2)c1 ZINC000424442201 301272617 /nfs/dbraw/zinc/27/26/17/301272617.db2.gz XNGSGLLOLIVEOG-MRXNPFEDSA-N 1 3 322.478 2.013 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000423724972 303479559 /nfs/dbraw/zinc/47/95/59/303479559.db2.gz SBXPXQXLWHIEHB-GVDBMIGSSA-N 1 3 307.482 2.132 20 0 DEADHO OC[C@H](Cc1ccccc1)N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000318237331 304830960 /nfs/dbraw/zinc/83/09/60/304830960.db2.gz YVZAKXNICZGWLD-INDMIFKZSA-N 1 3 302.462 2.490 20 0 DEADHO C[C@H](N[C@H]1CCN(C(=O)C2CCCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000573902382 326102896 /nfs/dbraw/zinc/10/28/96/326102896.db2.gz KSQSDGKMZPVOMT-UAGQMJEPSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)[C@@H]1CCCNC1 ZINC000573902382 326102898 /nfs/dbraw/zinc/10/28/98/326102898.db2.gz KSQSDGKMZPVOMT-UAGQMJEPSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000574032693 326116165 /nfs/dbraw/zinc/11/61/65/326116165.db2.gz PPDGYCLBDUPTHR-AEFFLSMTSA-N 1 3 308.441 2.439 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000574032693 326116167 /nfs/dbraw/zinc/11/61/67/326116167.db2.gz PPDGYCLBDUPTHR-AEFFLSMTSA-N 1 3 308.441 2.439 20 0 DEADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000574032693 326116169 /nfs/dbraw/zinc/11/61/69/326116169.db2.gz PPDGYCLBDUPTHR-AEFFLSMTSA-N 1 3 308.441 2.439 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NCc1ccc(C[NH3+])cc1 ZINC000574054293 326119435 /nfs/dbraw/zinc/11/94/35/326119435.db2.gz DHQMBTRBLRBRKW-HNNXBMFYSA-N 1 3 318.465 2.065 20 0 DEADHO CNC(=O)c1cccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000576805261 326319927 /nfs/dbraw/zinc/31/99/27/326319927.db2.gz INNBHTWQMNLZFW-KSZLIROESA-N 1 3 315.461 2.099 20 0 DEADHO CNC(=O)c1cccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000576805262 326320037 /nfs/dbraw/zinc/32/00/37/326320037.db2.gz INNBHTWQMNLZFW-KURKYZTESA-N 1 3 315.461 2.099 20 0 DEADHO CC1CCC(O)(CNC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000577365838 326360643 /nfs/dbraw/zinc/36/06/43/326360643.db2.gz IXHIAZRSBHEVQZ-KNCVXQGMSA-N 1 3 324.509 2.285 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H](CO)Cc2c(F)cccc2Cl)C1 ZINC000583332293 331482312 /nfs/dbraw/zinc/48/23/12/331482312.db2.gz BOTBFTXWMAOZHV-YNEHKIRRSA-N 1 3 314.832 2.490 20 0 DEADHO C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000582243410 336392370 /nfs/dbraw/zinc/39/23/70/336392370.db2.gz MFNAIZIISDRPHG-ZBFHGGJFSA-N 1 3 303.450 2.171 20 0 DEADHO C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000582243410 336392371 /nfs/dbraw/zinc/39/23/71/336392371.db2.gz MFNAIZIISDRPHG-ZBFHGGJFSA-N 1 3 303.450 2.171 20 0 DEADHO Cc1ncc2c(n1)CC[C@H](N[C@H](Cc1ccccc1)[C@H](C)[NH3+])C2 ZINC000583198203 337267840 /nfs/dbraw/zinc/26/78/40/337267840.db2.gz RNQAVGVROYOUDH-SOVGHPHASA-N 1 3 310.445 2.190 20 0 DEADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000398108171 337305700 /nfs/dbraw/zinc/30/57/00/337305700.db2.gz BZWUZASGUHAKHD-ATLSCFEFSA-N 1 3 315.461 2.011 20 0 DEADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)C[C@H](C)[NH3+])N(C)C)cc1 ZINC000580548688 341874702 /nfs/dbraw/zinc/87/47/02/341874702.db2.gz COIOIFYICDWVKS-LZWOXQAQSA-N 1 3 306.454 2.023 20 0 DEADHO CC[C@@H](C(=O)N1CCC(C[N@H+](CC)CCCF)CC1)N(C)C ZINC001377591820 1160570502 /nfs/dbraw/zinc/57/05/02/1160570502.db2.gz LWUMVEJQOMZDQD-INIZCTEOSA-N 1 3 315.477 2.247 20 0 DEADHO CC[C@@H](C(=O)N1CCC(C[N@@H+](CC)CCCF)CC1)N(C)C ZINC001377591820 1160570523 /nfs/dbraw/zinc/57/05/23/1160570523.db2.gz LWUMVEJQOMZDQD-INIZCTEOSA-N 1 3 315.477 2.247 20 0 DEADHO CC(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001377638632 1160637726 /nfs/dbraw/zinc/63/77/26/1160637726.db2.gz JOPNFZCHFMSWAR-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001377638632 1160637737 /nfs/dbraw/zinc/63/77/37/1160637737.db2.gz JOPNFZCHFMSWAR-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001378513436 1152357614 /nfs/dbraw/zinc/35/76/14/1152357614.db2.gz QCIOKJLOGZFZKO-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](NC(=O)CN(C)C1CCC1)C1C[NH+](CC2CCCC2)C1 ZINC001378534976 1152365796 /nfs/dbraw/zinc/36/57/96/1152365796.db2.gz SRUDEILORPOPOY-AWEZNQCLSA-N 1 3 307.482 2.097 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C[NH2+]Cc1cccnc1)C(C)(C)C ZINC001369557398 1149038583 /nfs/dbraw/zinc/03/85/83/1149038583.db2.gz TZEKMKDNRPUFQM-MRXNPFEDSA-N 1 3 320.481 2.044 20 0 DEADHO CC(C)C[NH+]1CCC([C@H](C)NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001369568543 1149043220 /nfs/dbraw/zinc/04/32/20/1149043220.db2.gz CQLSXTHBBVDSNB-CVEARBPZSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001378636292 1152402786 /nfs/dbraw/zinc/40/27/86/1152402786.db2.gz LCGODIJFDNKBCK-UONOGXRCSA-N 1 3 319.440 2.104 20 0 DEADHO C[C@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CC1CCCCC1 ZINC001399392830 1161376419 /nfs/dbraw/zinc/37/64/19/1161376419.db2.gz LMBKQIJITRGUBB-JKSUJKDBSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)[C@H](C(=O)NCC1([NH2+]C/C=C/Cl)CCCC1)N(C)C ZINC001378712877 1152421027 /nfs/dbraw/zinc/42/10/27/1152421027.db2.gz BCZHGGZRDWSACX-DNGMOHDESA-N 1 3 315.889 2.344 20 0 DEADHO CC(C)[C@H](C(=O)N(C)CC[NH2+][C@H](C)c1ccccc1)N(C)C ZINC001400046117 1161641159 /nfs/dbraw/zinc/64/11/59/1161641159.db2.gz UZSCDILDAGULKN-NVXWUHKLSA-N 1 3 305.466 2.382 20 0 DEADHO C[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)[C@H]1CCCCN1 ZINC000422695318 533811779 /nfs/dbraw/zinc/81/17/79/533811779.db2.gz PKHLZDATDZAIHC-MAUKXSAKSA-N 1 3 302.466 2.166 20 0 DEADHO C[C@H](NC1CCN(Cc2ccncc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422695318 533811785 /nfs/dbraw/zinc/81/17/85/533811785.db2.gz PKHLZDATDZAIHC-MAUKXSAKSA-N 1 3 302.466 2.166 20 0 DEADHO C[C@H](NCC1(N2CCSCC2)CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000422847343 533836155 /nfs/dbraw/zinc/83/61/55/533836155.db2.gz RGIKBPWPNYTEMN-HOTGVXAUSA-N 1 3 311.539 2.468 20 0 DEADHO C[C@H](NCCc1cccc(OCC(F)(F)F)c1)C1C[NH2+]C1 ZINC000423097623 533872912 /nfs/dbraw/zinc/87/29/12/533872912.db2.gz QWWMDXWVPVCQQC-NSHDSACASA-N 1 3 302.340 2.368 20 0 DEADHO C[C@H]([NH2+]CCc1cccc(OCC(F)(F)F)c1)C1CNC1 ZINC000423097623 533872918 /nfs/dbraw/zinc/87/29/18/533872918.db2.gz QWWMDXWVPVCQQC-NSHDSACASA-N 1 3 302.340 2.368 20 0 DEADHO C[C@H](NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)C1C[NH2+]C1 ZINC000423075304 533893546 /nfs/dbraw/zinc/89/35/46/533893546.db2.gz OFMVKAQOGMGRPC-VHSSKADRSA-N 1 3 306.425 2.097 20 0 DEADHO C[C@H]([NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)C1CNC1 ZINC000423075304 533893552 /nfs/dbraw/zinc/89/35/52/533893552.db2.gz OFMVKAQOGMGRPC-VHSSKADRSA-N 1 3 306.425 2.097 20 0 DEADHO C[C@H](C[NH3+])CNC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000417710075 534040906 /nfs/dbraw/zinc/04/09/06/534040906.db2.gz UGXWIRQSALEFDC-ZIAGYGMSSA-N 1 3 306.454 2.010 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1cccc(CN2CCCC2=O)c1 ZINC000422959938 534075190 /nfs/dbraw/zinc/07/51/90/534075190.db2.gz UTCCDYCZGSJRBR-CRAIPNDOSA-N 1 3 315.461 2.287 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000423098916 534088187 /nfs/dbraw/zinc/08/81/87/534088187.db2.gz DKFUYCKYECMMHX-BEFAXECRSA-N 1 3 317.477 2.247 20 0 DEADHO Cc1ccc(CN[C@H]2CCC[C@H]2C[NH3+])c(-n2cc(Cl)cn2)n1 ZINC000423075517 534090854 /nfs/dbraw/zinc/09/08/54/534090854.db2.gz XFOHBEVDNUVQJO-WFASDCNBSA-N 1 3 319.840 2.446 20 0 DEADHO COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCNCC[C@@H]2C)C1 ZINC000422857525 534151137 /nfs/dbraw/zinc/15/11/37/534151137.db2.gz YKEYIAYQJXVPLI-GVDBMIGSSA-N 1 3 317.477 2.499 20 0 DEADHO COc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443057561 534159364 /nfs/dbraw/zinc/15/93/64/534159364.db2.gz GZIRYYMBGDRNBT-KBPBESRZSA-N 1 3 305.422 2.083 20 0 DEADHO Cc1ccoc1C(=O)NCCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422916760 534439056 /nfs/dbraw/zinc/43/90/56/534439056.db2.gz DZTCCSIHTUABBI-ARFHVFGLSA-N 1 3 319.449 2.218 20 0 DEADHO c1ccc(NCCCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422759500 534496466 /nfs/dbraw/zinc/49/64/66/534496466.db2.gz PIOXSWNWHIEMDP-FGTMMUONSA-N 1 3 303.450 2.235 20 0 DEADHO CC1CCN(CCNC(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000337381927 521011903 /nfs/dbraw/zinc/01/19/03/521011903.db2.gz VFIFIXPUPBSUJY-UHFFFAOYSA-N 1 3 324.513 2.282 20 0 DEADHO CC[C@@H](C)C[N@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001378902001 1152484267 /nfs/dbraw/zinc/48/42/67/1152484267.db2.gz OBQHPXHZWRLNJW-OAHLLOKOSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C)C[N@@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001378902001 1152484269 /nfs/dbraw/zinc/48/42/69/1152484269.db2.gz OBQHPXHZWRLNJW-OAHLLOKOSA-N 1 3 309.498 2.440 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000111883435 521589823 /nfs/dbraw/zinc/58/98/23/521589823.db2.gz LOYXPHJTINZPFB-QGZVFWFLSA-N 1 3 324.513 2.234 20 0 DEADHO CCC[N@H+](CCN1CCN(CC)CC1)CCC1(OC)CCC1 ZINC000339206774 521660213 /nfs/dbraw/zinc/66/02/13/521660213.db2.gz YPEPTIMCHIDLJD-UHFFFAOYSA-N 1 3 311.514 2.295 20 0 DEADHO CCC[N@@H+](CCN1CCN(CC)CC1)CCC1(OC)CCC1 ZINC000339206774 521660215 /nfs/dbraw/zinc/66/02/15/521660215.db2.gz YPEPTIMCHIDLJD-UHFFFAOYSA-N 1 3 311.514 2.295 20 0 DEADHO Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)N ZINC000422757037 534684110 /nfs/dbraw/zinc/68/41/10/534684110.db2.gz MJHMZNLVIVVDBZ-FVQBIDKESA-N 1 3 316.449 2.077 20 0 DEADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccco2)C1 ZINC000338380518 523821979 /nfs/dbraw/zinc/82/19/79/523821979.db2.gz KSFGIXCTWSVIGJ-JKSUJKDBSA-N 1 3 319.449 2.206 20 0 DEADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H](CNC(=O)c2ccco2)C1 ZINC000338380518 523821985 /nfs/dbraw/zinc/82/19/85/523821985.db2.gz KSFGIXCTWSVIGJ-JKSUJKDBSA-N 1 3 319.449 2.206 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2(N)CCCC2)C1 ZINC000246244307 524113478 /nfs/dbraw/zinc/11/34/78/524113478.db2.gz JDUPOUJHRXNZGF-HZPDHXFCSA-N 1 3 307.482 2.371 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C2(N)CCCC2)C1 ZINC000246244307 524113493 /nfs/dbraw/zinc/11/34/93/524113493.db2.gz JDUPOUJHRXNZGF-HZPDHXFCSA-N 1 3 307.482 2.371 20 0 DEADHO C[C@H](CNC(=O)NC1CCN(C2CC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000337374179 524409360 /nfs/dbraw/zinc/40/93/60/524409360.db2.gz QHLJTZDRDUCXGW-HUUCEWRRSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](CNC(=O)NC1CCN(C2CC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000337374179 524409368 /nfs/dbraw/zinc/40/93/68/524409368.db2.gz QHLJTZDRDUCXGW-HUUCEWRRSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H]([NH3+])[C@H](C)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000248975603 524850667 /nfs/dbraw/zinc/85/06/67/524850667.db2.gz DTWBEEBBZMCDIQ-KKUMJFAQSA-N 1 3 303.450 2.312 20 0 DEADHO Cc1cc(Cl)cc(C[NH2+]CCCN2CCC[C@H](C(N)=O)C2)c1 ZINC000339227909 524867909 /nfs/dbraw/zinc/86/79/09/524867909.db2.gz FAJMAZPWVDGURY-HNNXBMFYSA-N 1 3 323.868 2.325 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000248975605 526096164 /nfs/dbraw/zinc/09/61/64/526096164.db2.gz DTWBEEBBZMCDIQ-SOUVJXGZSA-N 1 3 303.450 2.312 20 0 DEADHO Cc1nc(C)c(CN(C)CCN(C)C2CC[NH+](C)CC2)s1 ZINC000336843904 526714023 /nfs/dbraw/zinc/71/40/23/526714023.db2.gz YHSOGQAKGOBHTK-UHFFFAOYSA-N 1 3 310.511 2.218 20 0 DEADHO CC(C)(CC[NH3+])NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000422593636 527023902 /nfs/dbraw/zinc/02/39/02/527023902.db2.gz QEXRIQFWMIVFLZ-ZDUSSCGKSA-N 1 3 324.494 2.312 20 0 DEADHO Cc1nc([C@H](C)NCC2CC[NH+](CCN(C)C)CC2)cs1 ZINC000360986441 527063601 /nfs/dbraw/zinc/06/36/01/527063601.db2.gz KSFUUCKLTNQGTF-ZDUSSCGKSA-N 1 3 310.511 2.376 20 0 DEADHO CC(C)(C[NH2+][C@@H]1CCC[C@@H]1CN)c1ccc2c(c1)OCCO2 ZINC000422828951 527176590 /nfs/dbraw/zinc/17/65/90/527176590.db2.gz UFCUUDCNPTYVRX-UKRRQHHQSA-N 1 3 304.434 2.452 20 0 DEADHO CC(C)(C[NH2+][C@H]1CCC[C@H]1CN)c1ccc2c(c1)OCCO2 ZINC000422828953 527180422 /nfs/dbraw/zinc/18/04/22/527180422.db2.gz UFCUUDCNPTYVRX-ZFWWWQNUSA-N 1 3 304.434 2.452 20 0 DEADHO CC(C)OC1CC(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000189547046 527879566 /nfs/dbraw/zinc/87/95/66/527879566.db2.gz UTDYYPCNSWMNCY-FOIPXRHGSA-N 1 3 310.482 2.300 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000418318454 528131632 /nfs/dbraw/zinc/13/16/32/528131632.db2.gz AGURISQNUPXZSL-KRWDZBQOSA-N 1 3 318.465 2.190 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000418233448 528312406 /nfs/dbraw/zinc/31/24/06/528312406.db2.gz GQLYITUUMZVSDQ-WBVHZDCISA-N 1 3 324.513 2.266 20 0 DEADHO CCN(CCNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)C1CC1 ZINC000417429820 528495850 /nfs/dbraw/zinc/49/58/50/528495850.db2.gz NXBOEZBKWHWZAG-KRWDZBQOSA-N 1 3 318.465 2.250 20 0 DEADHO CCC[NH2+][C@@H](C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000294969113 528540940 /nfs/dbraw/zinc/54/09/40/528540940.db2.gz GIKNHROWYCBJFB-DOTOQJQBSA-N 1 3 303.450 2.155 20 0 DEADHO CCCOc1cccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)N)c1 ZINC000422987785 528752088 /nfs/dbraw/zinc/75/20/88/528752088.db2.gz HJXLIDGCWIQCFR-FHLIZLRMSA-N 1 3 306.450 2.360 20 0 DEADHO CCCOc1cccc(CCN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])c1 ZINC000422987785 528752089 /nfs/dbraw/zinc/75/20/89/528752089.db2.gz HJXLIDGCWIQCFR-FHLIZLRMSA-N 1 3 306.450 2.360 20 0 DEADHO CCN(Cc1ccc(C(=O)NC[C@H]([NH3+])C(C)C)cc1)C1CC1 ZINC000429197567 528774891 /nfs/dbraw/zinc/77/48/91/528774891.db2.gz OUEVANKSCSGIOA-KRWDZBQOSA-N 1 3 303.450 2.384 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)CC1CC[NH2+]CC1 ZINC000423749503 528779271 /nfs/dbraw/zinc/77/92/71/528779271.db2.gz VTNXGGAKPHRHSO-UHFFFAOYSA-N 1 3 317.477 2.486 20 0 DEADHO CCOCCOCc1cccc(C[NH2+][C@H]2CNCC[C@@H]2C)c1 ZINC000422859940 528811664 /nfs/dbraw/zinc/81/16/64/528811664.db2.gz KREUPQCSXNRQBN-YJBOKZPZSA-N 1 3 306.450 2.327 20 0 DEADHO CC(C)[NH+](CCCNC(=O)NC[C@H](N)c1ccccc1)C(C)C ZINC000417799556 528882979 /nfs/dbraw/zinc/88/29/79/528882979.db2.gz RRFFLSOYKXIMEI-KRWDZBQOSA-N 1 3 320.481 2.495 20 0 DEADHO CCC([NH3+])(CC)CNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000417318615 528936085 /nfs/dbraw/zinc/93/60/85/528936085.db2.gz ZEPWPFVPBZQYTN-MRXNPFEDSA-N 1 3 320.481 2.414 20 0 DEADHO CCN1CCC[C@@H](C[NH2+]Cc2ccccc2C(=O)N(C)C)C1 ZINC000417880916 529050368 /nfs/dbraw/zinc/05/03/68/529050368.db2.gz QRHFVUVQOSDFNW-HNNXBMFYSA-N 1 3 303.450 2.210 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H](C[NH3+])CC(C)C)c1ccco1 ZINC000418169892 529182961 /nfs/dbraw/zinc/18/29/61/529182961.db2.gz QUJNADLUOILUFA-SOUVJXGZSA-N 1 3 324.469 2.381 20 0 DEADHO CC[C@@H](NCc1ccncc1OCCN(C)C)[C@H]1CCCC[NH2+]1 ZINC000423121468 529188063 /nfs/dbraw/zinc/18/80/63/529188063.db2.gz IJWMHOFQEXALFU-IAGOWNOFSA-N 1 3 320.481 2.032 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000417694010 529272782 /nfs/dbraw/zinc/27/27/82/529272782.db2.gz CICKKIMCLDZEDI-HZPDHXFCSA-N 1 3 310.486 2.082 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000331865663 529272795 /nfs/dbraw/zinc/27/27/95/529272795.db2.gz BXVVMEBBAGYXBA-YVSFHVDLSA-N 1 3 322.497 2.020 20 0 DEADHO CC(C)[NH+](CCN(C)C(=O)N[C@H]1CCN(C)[C@H](C)C1)C(C)C ZINC000355947580 535059458 /nfs/dbraw/zinc/05/94/58/535059458.db2.gz RDTMHLPDTHNGAM-CVEARBPZSA-N 1 3 312.502 2.229 20 0 DEADHO CC[C@@H](C(N)=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000370649249 535451664 /nfs/dbraw/zinc/45/16/64/535451664.db2.gz CTEKLKHDBCQJIE-KRWDZBQOSA-N 1 3 315.461 2.238 20 0 DEADHO CC[C@@H](C(N)=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000370649249 535451666 /nfs/dbraw/zinc/45/16/66/535451666.db2.gz CTEKLKHDBCQJIE-KRWDZBQOSA-N 1 3 315.461 2.238 20 0 DEADHO CCO[C@@H]1C[C@H]([NH2+]CCCN2CCN(C(C)C)CC2)C12CCC2 ZINC000451481272 535497573 /nfs/dbraw/zinc/49/75/73/535497573.db2.gz RBTMUZSYURJIOP-ZWKOTPCHSA-N 1 3 323.525 2.340 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000368575264 535505878 /nfs/dbraw/zinc/50/58/78/535505878.db2.gz GOLBQCQBIQABLF-INIZCTEOSA-N 1 3 322.497 2.131 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cccnc1C ZINC000349033996 535594003 /nfs/dbraw/zinc/59/40/03/535594003.db2.gz BQDWWUGJFYRSFY-SFHVURJKSA-N 1 3 304.482 2.238 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cccnc1C ZINC000349033996 535594016 /nfs/dbraw/zinc/59/40/16/535594016.db2.gz BQDWWUGJFYRSFY-SFHVURJKSA-N 1 3 304.482 2.238 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(C)cc2OC)CC1 ZINC000449080498 535730933 /nfs/dbraw/zinc/73/09/33/535730933.db2.gz WRCNPDZYTIMNBB-INIZCTEOSA-N 1 3 305.466 2.119 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000368402994 535996091 /nfs/dbraw/zinc/99/60/91/535996091.db2.gz POGBECSCOFAMED-GOSISDBHSA-N 1 3 315.461 2.352 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000347624429 536009230 /nfs/dbraw/zinc/00/92/30/536009230.db2.gz NHINPPPXUCIIEV-BZSNNMDCSA-N 1 3 315.461 2.285 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000245444081 536024164 /nfs/dbraw/zinc/02/41/64/536024164.db2.gz XUBPZWHOACZTDE-SJORKVTESA-N 1 3 301.434 2.057 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000245444081 536024167 /nfs/dbraw/zinc/02/41/67/536024167.db2.gz XUBPZWHOACZTDE-SJORKVTESA-N 1 3 301.434 2.057 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCC(C)(C)C3)CC2)CC1 ZINC000359038814 536339552 /nfs/dbraw/zinc/33/95/52/536339552.db2.gz MANHNCVNHCINFX-OAHLLOKOSA-N 1 3 321.509 2.488 20 0 DEADHO CN[C@@H](CC(C)(C)C)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000449138163 536352888 /nfs/dbraw/zinc/35/28/88/536352888.db2.gz HHZVJVMILRCDCW-CVEARBPZSA-N 1 3 309.498 2.391 20 0 DEADHO CN[C@@H](CC(C)(C)C)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000449138163 536352890 /nfs/dbraw/zinc/35/28/90/536352890.db2.gz HHZVJVMILRCDCW-CVEARBPZSA-N 1 3 309.498 2.391 20 0 DEADHO COC[C@@H](CC(C)C)[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000359209786 536591579 /nfs/dbraw/zinc/59/15/79/536591579.db2.gz BBNHBFKIKGFKTB-RTBURBONSA-N 1 3 320.477 2.404 20 0 DEADHO CC(C)[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CC[C@@H](C)F ZINC001378974341 1152515138 /nfs/dbraw/zinc/51/51/38/1152515138.db2.gz ZBXFGNMXVTXIAG-HUUCEWRRSA-N 1 3 315.477 2.339 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1cccc(F)c1)C(C)C)N(C)C ZINC001378997135 1152522556 /nfs/dbraw/zinc/52/25/56/1152522556.db2.gz ILYSDMPRXWUKBF-IRXDYDNUSA-N 1 3 323.456 2.396 20 0 DEADHO Cc1ccc(C[N@@H+](C)CCN(C)C(=O)CN(C)C(C)C)cc1 ZINC001379138743 1152579281 /nfs/dbraw/zinc/57/92/81/1152579281.db2.gz KMFWBDTYVGAAKZ-UHFFFAOYSA-N 1 3 305.466 2.225 20 0 DEADHO Cc1ccc(C[N@H+](C)CCN(C)C(=O)CN(C)C(C)C)cc1 ZINC001379138743 1152579282 /nfs/dbraw/zinc/57/92/82/1152579282.db2.gz KMFWBDTYVGAAKZ-UHFFFAOYSA-N 1 3 305.466 2.225 20 0 DEADHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCc1cccs1 ZINC001368735880 1148627733 /nfs/dbraw/zinc/62/77/33/1148627733.db2.gz FDXWQPUTEFVWPL-CABCVRRESA-N 1 3 323.506 2.117 20 0 DEADHO Cc1ccc(F)cc1C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCN1C ZINC001379201565 1152590048 /nfs/dbraw/zinc/59/00/48/1152590048.db2.gz XFOLINFPKOTUHJ-WMLDXEAASA-N 1 3 321.440 2.165 20 0 DEADHO C[C@@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]CCc1ccccc1 ZINC001379224375 1152592946 /nfs/dbraw/zinc/59/29/46/1152592946.db2.gz RQGXDSCLDWTSHG-IRXDYDNUSA-N 1 3 317.477 2.007 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc2c(c1)CCC2)N(C)C ZINC001379383447 1152617308 /nfs/dbraw/zinc/61/73/08/1152617308.db2.gz MANMWZJIBZSSRI-RDTXWAMCSA-N 1 3 317.477 2.110 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](NC[C@H](F)CC)C(C)(C)C1 ZINC001382377213 1153439182 /nfs/dbraw/zinc/43/91/82/1153439182.db2.gz LXTBITWZEBHWCG-HUUCEWRRSA-N 1 3 315.477 2.293 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC[C@H](F)CC)C(C)(C)C1 ZINC001382377213 1153439186 /nfs/dbraw/zinc/43/91/86/1153439186.db2.gz LXTBITWZEBHWCG-HUUCEWRRSA-N 1 3 315.477 2.293 20 0 DEADHO C[C@H](NC(=O)[C@@H](N)CC1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309796468 625339678 /nfs/dbraw/zinc/33/96/78/625339678.db2.gz QISRPCQGVHKLQN-QGTPRVQTSA-N 1 3 315.461 2.141 20 0 DEADHO C[C@H](NC(=O)[C@@H](N)CC1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309796468 625339683 /nfs/dbraw/zinc/33/96/83/625339683.db2.gz QISRPCQGVHKLQN-QGTPRVQTSA-N 1 3 315.461 2.141 20 0 DEADHO COC1CCN(C(C)(C)CN[C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925556433 625354908 /nfs/dbraw/zinc/35/49/08/625354908.db2.gz KMTKTAQRXDFBJO-INIZCTEOSA-N 1 3 309.498 2.140 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000969595207 622836450 /nfs/dbraw/zinc/83/64/50/622836450.db2.gz OINHVGUTSPKHDT-JFIYKMOQSA-N 1 3 315.461 2.341 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCC2CC2)C1 ZINC000969649749 622864088 /nfs/dbraw/zinc/86/40/88/622864088.db2.gz PREABCYBJLWAOK-PBHICJAKSA-N 1 3 307.482 2.096 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1 ZINC001020981801 623237115 /nfs/dbraw/zinc/23/71/15/623237115.db2.gz NOMOHMBSLOHHRV-SHTZXODSSA-N 1 3 304.438 2.078 20 0 DEADHO CCN1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970325652 623402979 /nfs/dbraw/zinc/40/29/79/623402979.db2.gz IMIKIGCAMGXIKV-YOEHRIQHSA-N 1 3 307.482 2.240 20 0 DEADHO CCN1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970325652 623402983 /nfs/dbraw/zinc/40/29/83/623402983.db2.gz IMIKIGCAMGXIKV-YOEHRIQHSA-N 1 3 307.482 2.240 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001021448176 623635233 /nfs/dbraw/zinc/63/52/33/623635233.db2.gz KZJTZIWZPYDYOI-MQVJKMGUSA-N 1 3 316.449 2.172 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001021448176 623635238 /nfs/dbraw/zinc/63/52/38/623635238.db2.gz KZJTZIWZPYDYOI-MQVJKMGUSA-N 1 3 316.449 2.172 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC000970717285 623640075 /nfs/dbraw/zinc/64/00/75/623640075.db2.gz MRWSAUQZJOGGOC-SJLPKXTDSA-N 1 3 315.461 2.342 20 0 DEADHO CC(C)[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021604889 623819562 /nfs/dbraw/zinc/81/95/62/623819562.db2.gz IDISTAPAWVZIJR-WBVHZDCISA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021604889 623819573 /nfs/dbraw/zinc/81/95/73/623819573.db2.gz IDISTAPAWVZIJR-WBVHZDCISA-N 1 3 307.482 2.192 20 0 DEADHO Cc1ccccc1C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000971202402 624068565 /nfs/dbraw/zinc/06/85/65/624068565.db2.gz WPESHPKMTXHGTA-MSOLQXFVSA-N 1 3 315.461 2.122 20 0 DEADHO Cc1ccccc1C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000971202402 624068566 /nfs/dbraw/zinc/06/85/66/624068566.db2.gz WPESHPKMTXHGTA-MSOLQXFVSA-N 1 3 315.461 2.122 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC2=CCCCC2)C1 ZINC000971204917 624070020 /nfs/dbraw/zinc/07/00/20/624070020.db2.gz QWYZHTCKQCOWEV-IRXDYDNUSA-N 1 3 305.466 2.114 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC000971204917 624070023 /nfs/dbraw/zinc/07/00/23/624070023.db2.gz QWYZHTCKQCOWEV-IRXDYDNUSA-N 1 3 305.466 2.114 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CC2=CCCCC2)C1 ZINC000971204916 624070414 /nfs/dbraw/zinc/07/04/14/624070414.db2.gz QWYZHTCKQCOWEV-IAGOWNOFSA-N 1 3 305.466 2.114 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC000971204916 624070419 /nfs/dbraw/zinc/07/04/19/624070419.db2.gz QWYZHTCKQCOWEV-IAGOWNOFSA-N 1 3 305.466 2.114 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(Cc2c3c(nn2C)CCC3)CC1 ZINC000891746138 624574899 /nfs/dbraw/zinc/57/48/99/624574899.db2.gz QAWCBJNCRSPTSC-UHFFFAOYSA-N 1 3 304.482 2.461 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(Cc2c3c(nn2C)CCC3)CC1 ZINC000891746138 624574902 /nfs/dbraw/zinc/57/49/02/624574902.db2.gz QAWCBJNCRSPTSC-UHFFFAOYSA-N 1 3 304.482 2.461 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001022714437 624867521 /nfs/dbraw/zinc/86/75/21/624867521.db2.gz UQGRFUZRCYQYDI-BHYGNILZSA-N 1 3 307.482 2.145 20 0 DEADHO CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC000978802311 634424076 /nfs/dbraw/zinc/42/40/76/634424076.db2.gz WMLVIOWMWMFEGN-FJIDUMEYSA-N 1 3 321.509 2.343 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC000978802311 634424080 /nfs/dbraw/zinc/42/40/80/634424080.db2.gz WMLVIOWMWMFEGN-FJIDUMEYSA-N 1 3 321.509 2.343 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]Cc2cn(C)nc2C2CC2)C[C@H](C)O1 ZINC000893037527 625070363 /nfs/dbraw/zinc/07/03/63/625070363.db2.gz IEMOCRAHUVWGGG-GASCZTMLSA-N 1 3 320.481 2.277 20 0 DEADHO CC(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC000972484295 625118505 /nfs/dbraw/zinc/11/85/05/625118505.db2.gz BHIWBEHVGHMDLH-IAGOWNOFSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC000972484295 625118509 /nfs/dbraw/zinc/11/85/09/625118509.db2.gz BHIWBEHVGHMDLH-IAGOWNOFSA-N 1 3 309.498 2.438 20 0 DEADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CCC4CC4)[C@@H]3C2)CCC1 ZINC001026282360 625257906 /nfs/dbraw/zinc/25/79/06/625257906.db2.gz RVWBMAMHJCUVBY-GVDBMIGSSA-N 1 3 319.493 2.097 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC1 ZINC001024437584 625774269 /nfs/dbraw/zinc/77/42/69/625774269.db2.gz UJGOXRUCKFMGGZ-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CC1 ZINC001024437584 625774273 /nfs/dbraw/zinc/77/42/73/625774273.db2.gz UJGOXRUCKFMGGZ-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO CC[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)c1ccccc1 ZINC001019774782 625831784 /nfs/dbraw/zinc/83/17/84/625831784.db2.gz IEUYUXVYVNIHSQ-ROUUACIJSA-N 1 3 315.461 2.424 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001019776067 625833186 /nfs/dbraw/zinc/83/31/86/625833186.db2.gz USSUUUYTTBVAFW-SJORKVTESA-N 1 3 315.461 2.342 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[N@@H+]1CC1CC1 ZINC000947615740 625866085 /nfs/dbraw/zinc/86/60/85/625866085.db2.gz KTSQNEDIVKHFFA-ZBFHGGJFSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[N@H+]1CC1CC1 ZINC000947615740 625866088 /nfs/dbraw/zinc/86/60/88/625866088.db2.gz KTSQNEDIVKHFFA-ZBFHGGJFSA-N 1 3 307.482 2.240 20 0 DEADHO CC1(C)C[NH2+]CC[C@H](NC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000892498118 625902617 /nfs/dbraw/zinc/90/26/17/625902617.db2.gz DYORDVKPKGFGBB-HNNXBMFYSA-N 1 3 322.497 2.034 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC2CCC2)C1 ZINC000999142548 634492380 /nfs/dbraw/zinc/49/23/80/634492380.db2.gz BCFPAJPXSBFAEX-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CCC3CC3)C[C@H]2CC1 ZINC000946518492 634506950 /nfs/dbraw/zinc/50/69/50/634506950.db2.gz USUNSXHPPJSTGD-FGTMMUONSA-N 1 3 319.493 2.051 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CCC3CC3)C[C@H]2CC1 ZINC000946518492 634506955 /nfs/dbraw/zinc/50/69/55/634506955.db2.gz USUNSXHPPJSTGD-FGTMMUONSA-N 1 3 319.493 2.051 20 0 DEADHO CN(CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2)C1)C1CCC1 ZINC000999365191 634575290 /nfs/dbraw/zinc/57/52/90/634575290.db2.gz PYDCBCNVQZMELM-KRWDZBQOSA-N 1 3 315.461 2.252 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CC2CC(C)(C)C2)C1)C1CC1 ZINC000999367102 634577214 /nfs/dbraw/zinc/57/72/14/634577214.db2.gz DOAVTQYFFMRMEL-SJORKVTESA-N 1 3 321.509 2.343 20 0 DEADHO O[C@H](CN1CC[C@H](Cc2ccc(F)cc2)C1)C[NH+]1CCCC1 ZINC000736945056 634792397 /nfs/dbraw/zinc/79/23/97/634792397.db2.gz AUHMNROENYFNRE-AEFFLSMTSA-N 1 3 306.425 2.147 20 0 DEADHO O[C@@H](CN1CC[C@@H](Cc2ccc(F)cc2)C1)C[NH+]1CCCC1 ZINC000736945057 634792691 /nfs/dbraw/zinc/79/26/91/634792691.db2.gz AUHMNROENYFNRE-FUHWJXTLSA-N 1 3 306.425 2.147 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2csc(C)c2)C1)N(C)C ZINC001000222198 634800449 /nfs/dbraw/zinc/80/04/49/634800449.db2.gz CGWACHBLSSHSTH-CVEARBPZSA-N 1 3 323.506 2.477 20 0 DEADHO Cc1cnc(Cl)c(CNCCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000921720699 634807691 /nfs/dbraw/zinc/80/76/91/634807691.db2.gz HKVSJMMGHKNTAF-OAHLLOKOSA-N 1 3 311.857 2.370 20 0 DEADHO Cc1cnc(Cl)c(CNCCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000921720699 634807698 /nfs/dbraw/zinc/80/76/98/634807698.db2.gz HKVSJMMGHKNTAF-OAHLLOKOSA-N 1 3 311.857 2.370 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+]CC3CC(C)(C)C3)C2)CCC1 ZINC001026886500 633245836 /nfs/dbraw/zinc/24/58/36/633245836.db2.gz YZAKIANYVNSYGF-HNNXBMFYSA-N 1 3 321.509 2.345 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccsc2)C1)C1CC1 ZINC001026888187 633247558 /nfs/dbraw/zinc/24/75/58/633247558.db2.gz ACIGZELMMCRINI-CJNGLKHVSA-N 1 3 321.490 2.026 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccsc2)C1)N(C)C ZINC001026901134 633249166 /nfs/dbraw/zinc/24/91/66/633249166.db2.gz JCRGRMGFMFZQFE-HOCLYGCPSA-N 1 3 323.506 2.272 20 0 DEADHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCC2(S(C)(=O)=O)CCCCC2)C1 ZINC000925706746 633267949 /nfs/dbraw/zinc/26/79/49/633267949.db2.gz FYGAPODZVREUBH-UONOGXRCSA-N 1 3 316.511 2.230 20 0 DEADHO CC1(C)C[N@H+](CC2CC2)C[C@@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC000974864029 633339856 /nfs/dbraw/zinc/33/98/56/633339856.db2.gz ORTXCZSCBNSVSB-IRXDYDNUSA-N 1 3 319.493 2.097 20 0 DEADHO CC1(C)C[N@@H+](CC2CC2)C[C@@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC000974864029 633339860 /nfs/dbraw/zinc/33/98/60/633339860.db2.gz ORTXCZSCBNSVSB-IRXDYDNUSA-N 1 3 319.493 2.097 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]Cc3ccsc3)C2)C1 ZINC001027065087 633385779 /nfs/dbraw/zinc/38/57/79/633385779.db2.gz QXPUXAWJUOXASI-CABCVRRESA-N 1 3 321.490 2.028 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@H](C[NH2+][C@H]2CCc3ccccc32)C1 ZINC001027091242 633431031 /nfs/dbraw/zinc/43/10/31/633431031.db2.gz IAJHZGGZWUVRHT-KDOFPFPSSA-N 1 3 324.428 2.078 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001027235585 633506767 /nfs/dbraw/zinc/50/67/67/633506767.db2.gz SMPDXVOXIMHXEN-ROUUACIJSA-N 1 3 321.509 2.489 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H](C[NH2+]CC2CC2)C1 ZINC001027235048 633509005 /nfs/dbraw/zinc/50/90/05/633509005.db2.gz JIEBQICZDNJLFN-INIZCTEOSA-N 1 3 315.461 2.210 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]CC3=CCCCC3)CC2)C1 ZINC000997004664 633558789 /nfs/dbraw/zinc/55/87/89/633558789.db2.gz FUMOLKPFHXOKLJ-MRXNPFEDSA-N 1 3 319.493 2.409 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CCCC2)C1)C1CC1 ZINC001027444896 633795509 /nfs/dbraw/zinc/79/55/09/633795509.db2.gz VIIOIWLBDRQTDY-ZWKOTPCHSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CCCC2)C1)C1CC1 ZINC001027444896 633795514 /nfs/dbraw/zinc/79/55/14/633795514.db2.gz VIIOIWLBDRQTDY-ZWKOTPCHSA-N 1 3 321.509 2.440 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC2CC2)CC1 ZINC000997612754 633900181 /nfs/dbraw/zinc/90/01/81/633900181.db2.gz IMNNQPUXRCWHOI-YJBOKZPZSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)=CCN1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977456905 633994175 /nfs/dbraw/zinc/99/41/75/633994175.db2.gz XFFIOXULSJRYNU-HZPDHXFCSA-N 1 3 307.482 2.121 20 0 DEADHO CC(C)=CCN1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977456905 633994181 /nfs/dbraw/zinc/99/41/81/633994181.db2.gz XFFIOXULSJRYNU-HZPDHXFCSA-N 1 3 307.482 2.121 20 0 DEADHO CC1CC(C[NH2+]CC2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC000998082020 634135514 /nfs/dbraw/zinc/13/55/14/634135514.db2.gz NCAAUEUSUMTDMM-PQUAAJSLSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027577959 634188760 /nfs/dbraw/zinc/18/87/60/634188760.db2.gz YNKQFYGXBICPTM-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027577959 634188765 /nfs/dbraw/zinc/18/87/65/634188765.db2.gz YNKQFYGXBICPTM-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO C[N@H+](CC1CC(C)(C)C1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027595081 634240003 /nfs/dbraw/zinc/24/00/03/634240003.db2.gz UXCFZBBIYGGVAT-MRXNPFEDSA-N 1 3 318.465 2.311 20 0 DEADHO C[N@@H+](CC1CC(C)(C)C1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027595081 634240005 /nfs/dbraw/zinc/24/00/05/634240005.db2.gz UXCFZBBIYGGVAT-MRXNPFEDSA-N 1 3 318.465 2.311 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000837189066 650173014 /nfs/dbraw/zinc/17/30/14/650173014.db2.gz HKFNDAVCNFLGJB-WMLDXEAASA-N 1 3 313.461 2.140 20 0 DEADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000837189066 650173015 /nfs/dbraw/zinc/17/30/15/650173015.db2.gz HKFNDAVCNFLGJB-WMLDXEAASA-N 1 3 313.461 2.140 20 0 DEADHO C[C@H]1C[C@H](C[NH2+]Cc2ccccc2)CN1C(=O)CN1CCCC1 ZINC000980798689 635156364 /nfs/dbraw/zinc/15/63/64/635156364.db2.gz CWGACIUADCCXDO-FUHWJXTLSA-N 1 3 315.461 2.109 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001027986162 635170192 /nfs/dbraw/zinc/17/01/92/635170192.db2.gz SWLHRSLKYKAJOC-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CC1 ZINC001027986162 635170194 /nfs/dbraw/zinc/17/01/94/635170194.db2.gz SWLHRSLKYKAJOC-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC2CCC2)C1 ZINC001001005572 635377411 /nfs/dbraw/zinc/37/74/11/635377411.db2.gz DVTKDZKVVYBEHS-SJORKVTESA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)C[NH+]1CCC(CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001001393262 635475576 /nfs/dbraw/zinc/47/55/76/635475576.db2.gz NSBFRUGFHJIOLG-KRWDZBQOSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@H]([NH2+]CC2CCCC2)C1 ZINC000981486233 635500112 /nfs/dbraw/zinc/50/01/12/635500112.db2.gz MWZAELLTBLFFBK-HOTGVXAUSA-N 1 3 318.465 2.468 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCC1CC[NH+](CCCF)CC1 ZINC001001469773 635502811 /nfs/dbraw/zinc/50/28/11/635502811.db2.gz ZKRHYGIEGRGOAC-INIZCTEOSA-N 1 3 313.461 2.049 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000981810360 635666908 /nfs/dbraw/zinc/66/69/08/635666908.db2.gz POEYBOGWUDDMDS-MRXNPFEDSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000981810360 635666911 /nfs/dbraw/zinc/66/69/11/635666911.db2.gz POEYBOGWUDDMDS-MRXNPFEDSA-N 1 3 321.509 2.441 20 0 DEADHO C[NH+](C)CC1CCC(NCc2nc(Br)c[nH]2)CC1 ZINC000921919753 635713501 /nfs/dbraw/zinc/71/35/01/635713501.db2.gz ASXWBNFTOBDGFX-UHFFFAOYSA-N 1 3 315.259 2.382 20 0 DEADHO CCS(=O)(=O)c1ccccc1CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000925833911 635832369 /nfs/dbraw/zinc/83/23/69/635832369.db2.gz LMFQQPLFDQBVTC-HOTGVXAUSA-N 1 3 324.490 2.272 20 0 DEADHO COc1ccc([C@@H](C[NH3+])CN2CCC(c3cn[nH]c3)CC2)cc1 ZINC000420318641 635870271 /nfs/dbraw/zinc/87/02/71/635870271.db2.gz OEYCLYTVMIBTSP-INIZCTEOSA-N 1 3 314.433 2.340 20 0 DEADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000261539038 635886438 /nfs/dbraw/zinc/88/64/38/635886438.db2.gz BKRACTRHMPRPSU-HLLBOEOZSA-N 1 3 303.450 2.011 20 0 DEADHO Cc1cc([C@@H](C)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cs1 ZINC000925849279 635946636 /nfs/dbraw/zinc/94/66/36/635946636.db2.gz OFSUBQNGHUAMHP-OCCSQVGLSA-N 1 3 308.447 2.392 20 0 DEADHO CN(C)C1(C(=O)N2C[C@]3(C)C[N@H+](CC4CC4)C[C@]3(C)C2)CCC1 ZINC000982296191 635953492 /nfs/dbraw/zinc/95/34/92/635953492.db2.gz MZURLUSQXMSYNI-HDICACEKSA-N 1 3 319.493 2.051 20 0 DEADHO CN(C)C1(C(=O)N2C[C@]3(C)C[N@@H+](CC4CC4)C[C@]3(C)C2)CCC1 ZINC000982296191 635953495 /nfs/dbraw/zinc/95/34/95/635953495.db2.gz MZURLUSQXMSYNI-HDICACEKSA-N 1 3 319.493 2.051 20 0 DEADHO CCOC(=O)c1ncc(CNCC2CC[NH+](C3CC3)CC2)s1 ZINC000894067526 636103440 /nfs/dbraw/zinc/10/34/40/636103440.db2.gz LRUCLWDVXVWTBX-UHFFFAOYSA-N 1 3 323.462 2.284 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CCC[N@@H+]1CC1CC1 ZINC001028333450 636133252 /nfs/dbraw/zinc/13/32/52/636133252.db2.gz LGLSHJZCUUFXFZ-QGZVFWFLSA-N 1 3 315.461 2.352 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CCC[N@H+]1CC1CC1 ZINC001028333450 636133254 /nfs/dbraw/zinc/13/32/54/636133254.db2.gz LGLSHJZCUUFXFZ-QGZVFWFLSA-N 1 3 315.461 2.352 20 0 DEADHO CCC(CC)C[NH+]1CCC(NC(=O)Cc2nc[nH]c2C)CC1 ZINC001004053721 636135378 /nfs/dbraw/zinc/13/53/78/636135378.db2.gz PSRMULIBFCWMCS-UHFFFAOYSA-N 1 3 306.454 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1CC[NH+](CCC2CCCC2)CC1 ZINC001004055620 636135458 /nfs/dbraw/zinc/13/54/58/636135458.db2.gz KCIHUHBPZFGOQK-UHFFFAOYSA-N 1 3 318.465 2.422 20 0 DEADHO Cc1ncsc1CN[C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922387030 636152237 /nfs/dbraw/zinc/15/22/37/636152237.db2.gz JISMWDGMLGCZAA-RRCSTGOVSA-N 1 3 309.479 2.021 20 0 DEADHO Cc1ncsc1CN[C@@H]1C[C@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922387030 636152240 /nfs/dbraw/zinc/15/22/40/636152240.db2.gz JISMWDGMLGCZAA-RRCSTGOVSA-N 1 3 309.479 2.021 20 0 DEADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3ccns3)C2)[C@H]1C(C)C ZINC000922392074 636154113 /nfs/dbraw/zinc/15/41/13/636154113.db2.gz CSGVPKKNCQVBRV-FPCVCCKLSA-N 1 3 309.479 2.103 20 0 DEADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3ccns3)C2)[C@H]1C(C)C ZINC000922392074 636154116 /nfs/dbraw/zinc/15/41/16/636154116.db2.gz CSGVPKKNCQVBRV-FPCVCCKLSA-N 1 3 309.479 2.103 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001028579162 636369194 /nfs/dbraw/zinc/36/91/94/636369194.db2.gz BESVOHBEVJLWQG-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001028579162 636369197 /nfs/dbraw/zinc/36/91/97/636369197.db2.gz BESVOHBEVJLWQG-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN(C/C=C\Cl)C1 ZINC001028580171 636372940 /nfs/dbraw/zinc/37/29/40/636372940.db2.gz RGGZITDWJOSKHZ-FEGLDZKKSA-N 1 3 313.873 2.051 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN(C/C=C\Cl)C1 ZINC001028580171 636372943 /nfs/dbraw/zinc/37/29/43/636372943.db2.gz RGGZITDWJOSKHZ-FEGLDZKKSA-N 1 3 313.873 2.051 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001004466201 636461758 /nfs/dbraw/zinc/46/17/58/636461758.db2.gz SWHZADXFLBAGIF-SJORKVTESA-N 1 3 309.498 2.296 20 0 DEADHO CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001004466201 636461761 /nfs/dbraw/zinc/46/17/61/636461761.db2.gz SWHZADXFLBAGIF-SJORKVTESA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC2CC2)C1 ZINC001028845451 636783854 /nfs/dbraw/zinc/78/38/54/636783854.db2.gz KGBFVYQLIOZFER-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001028845451 636783857 /nfs/dbraw/zinc/78/38/57/636783857.db2.gz KGBFVYQLIOZFER-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]([NH2+]CC1CCC1)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001029065262 637024464 /nfs/dbraw/zinc/02/44/64/637024464.db2.gz FFZOSJRSADRMNC-PBHICJAKSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)C2CC[NH+](CCC3CC3)CC2)C1 ZINC001005992760 637049133 /nfs/dbraw/zinc/04/91/33/637049133.db2.gz VJGNWECWTRQFEJ-HNNXBMFYSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H](F)CC[NH+]1CCC(N(C)C(=O)CN2CCC[C@@H]2C)CC1 ZINC001005998815 637063099 /nfs/dbraw/zinc/06/30/99/637063099.db2.gz WDFZZNUWUQXCIO-CABCVRRESA-N 1 3 313.461 2.142 20 0 DEADHO COCCOc1ccc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)o1 ZINC000894479894 637063533 /nfs/dbraw/zinc/06/35/33/637063533.db2.gz VAPIBPQCVZVTMD-MRXNPFEDSA-N 1 3 322.449 2.469 20 0 DEADHO NC[C@@H]1CCC[N@@H+]1C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000923293136 637094784 /nfs/dbraw/zinc/09/47/84/637094784.db2.gz OAUNWEFCSNLOKJ-UONOGXRCSA-N 1 3 302.340 2.032 20 0 DEADHO NC[C@@H]1CCC[N@H+]1C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000923293136 637094788 /nfs/dbraw/zinc/09/47/88/637094788.db2.gz OAUNWEFCSNLOKJ-UONOGXRCSA-N 1 3 302.340 2.032 20 0 DEADHO CC(C)[C@](C)(C[NH3+])NC[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000923297047 637097882 /nfs/dbraw/zinc/09/78/82/637097882.db2.gz XAYHBMSXTKGEBU-UHOSZYNNSA-N 1 3 320.477 2.405 20 0 DEADHO Cc1nc2c(s1)[C@@H](N(C)C[C@H]1CC3(C[NH2+]C3)CO1)CCC2 ZINC000923325933 637118028 /nfs/dbraw/zinc/11/80/28/637118028.db2.gz WRAAHHPDLAYDCL-OCCSQVGLSA-N 1 3 307.463 2.139 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1C ZINC000923333103 637120364 /nfs/dbraw/zinc/12/03/64/637120364.db2.gz OTXFROSYEHBRMF-MHORFTMASA-N 1 3 318.461 2.021 20 0 DEADHO NCC(C[NH3+])NCc1ccc(Oc2ccccc2F)c(F)c1 ZINC000923351325 637133551 /nfs/dbraw/zinc/13/35/51/637133551.db2.gz IGWALYLIDWWSHL-UHFFFAOYSA-N 1 3 307.344 2.133 20 0 DEADHO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@@H]2CCCC[C@H]2N)c1 ZINC000923382836 637149153 /nfs/dbraw/zinc/14/91/53/637149153.db2.gz RSOPWHUZBBYKNR-BPLDGKMQSA-N 1 3 312.841 2.248 20 0 DEADHO CC1(C)[C@H]([NH3+])C[C@H]1NC[C@H](O)Cc1ccccc1C(F)(F)F ZINC000923421712 637169123 /nfs/dbraw/zinc/16/91/23/637169123.db2.gz NXOUIYNDZMBZCF-MRVWCRGKSA-N 1 3 316.367 2.324 20 0 DEADHO [NH3+]CC[C@H]1CCN(C[C@@H](O)c2cccc(Br)c2)C1 ZINC000923479177 637202746 /nfs/dbraw/zinc/20/27/46/637202746.db2.gz NUNRMHVSUCVBCN-SMDDNHRTSA-N 1 3 313.239 2.153 20 0 DEADHO Cc1cc(F)ccc1N1CCC[C@@H](N2CC[C@@H](CC[NH3+])C2)C1=O ZINC000923482118 637203519 /nfs/dbraw/zinc/20/35/19/637203519.db2.gz OXSDQPCPVGHVLH-RHSMWYFYSA-N 1 3 319.424 2.300 20 0 DEADHO C[C@H](CNC(=O)[C@H](C)N1CC[C@H](C[NH3+])[C@@H](C)C1)c1ccccc1 ZINC000923498274 637215036 /nfs/dbraw/zinc/21/50/36/637215036.db2.gz HCJTYZBSTSQDHR-MUQADHOPSA-N 1 3 317.477 2.212 20 0 DEADHO CCc1ccccc1NC(=O)[C@H](C)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923501276 637218438 /nfs/dbraw/zinc/21/84/38/637218438.db2.gz YYZYFTGMKNZCOU-YCPHGPKFSA-N 1 3 303.450 2.493 20 0 DEADHO C[N@@H+]1C[C@@H](CNC[C@H]2COC(C)(C)O2)[C@H](c2ccccc2)C1 ZINC000895114960 637587139 /nfs/dbraw/zinc/58/71/39/637587139.db2.gz KOCXMFNAWRRCGJ-IKGGRYGDSA-N 1 3 304.434 2.073 20 0 DEADHO C[N@H+]1C[C@@H](CNC[C@H]2COC(C)(C)O2)[C@H](c2ccccc2)C1 ZINC000895114960 637587142 /nfs/dbraw/zinc/58/71/42/637587142.db2.gz KOCXMFNAWRRCGJ-IKGGRYGDSA-N 1 3 304.434 2.073 20 0 DEADHO Cc1ccc(CC[NH+]2CCC(N3CC[C@H](O)C3)CC2)cc1C ZINC000895455834 638032383 /nfs/dbraw/zinc/03/23/83/638032383.db2.gz DZVMPXSGOINDLP-IBGZPJMESA-N 1 3 302.462 2.377 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)NC[C@H]2CCN2C(C)(C)C)C1 ZINC000895627908 638120727 /nfs/dbraw/zinc/12/07/27/638120727.db2.gz STBKVJGPNKXOOG-JKSUJKDBSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC(C2CC2)CC1 ZINC000895666766 638141188 /nfs/dbraw/zinc/14/11/88/638141188.db2.gz RJQJZZUZHXBGGD-HNNXBMFYSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC(C2CC2)CC1 ZINC000895666766 638141194 /nfs/dbraw/zinc/14/11/94/638141194.db2.gz RJQJZZUZHXBGGD-HNNXBMFYSA-N 1 3 324.513 2.090 20 0 DEADHO CC(=O)OC[C@H](C)[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000895694457 638147370 /nfs/dbraw/zinc/14/73/70/638147370.db2.gz UXAROUGLMVXUEG-VKJFTORMSA-N 1 3 304.434 2.296 20 0 DEADHO NCc1cn([C@H]2CCC[N@H+](Cc3cncc4ccccc43)C2)nn1 ZINC000841099352 650430658 /nfs/dbraw/zinc/43/06/58/650430658.db2.gz IQHUKYZPTHUNMJ-KRWDZBQOSA-N 1 3 322.416 2.122 20 0 DEADHO NCc1cn([C@H]2CCC[N@@H+](Cc3cncc4ccccc43)C2)nn1 ZINC000841099352 650430660 /nfs/dbraw/zinc/43/06/60/650430660.db2.gz IQHUKYZPTHUNMJ-KRWDZBQOSA-N 1 3 322.416 2.122 20 0 DEADHO COc1ccc([C@H](NC(C)C)C(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000896708415 638649379 /nfs/dbraw/zinc/64/93/79/638649379.db2.gz RMZSDBOXMZWCCS-YOEHRIQHSA-N 1 3 321.465 2.191 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CC3CCCCC3)C2)C1 ZINC000984804949 638694113 /nfs/dbraw/zinc/69/41/13/638694113.db2.gz QLRJQYBSVRTGNR-KBAYOESNSA-N 1 3 321.509 2.393 20 0 DEADHO O=C([C@H]1CCC[C@@H]2CCC[N@@H+]21)N1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001029510230 639012194 /nfs/dbraw/zinc/01/21/94/639012194.db2.gz RGLVFKMFNJRWJK-ZJPYXAASSA-N 1 3 317.477 2.089 20 0 DEADHO O=C([C@H]1CCC[C@@H]2CCC[N@H+]21)N1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001029510230 639012204 /nfs/dbraw/zinc/01/22/04/639012204.db2.gz RGLVFKMFNJRWJK-ZJPYXAASSA-N 1 3 317.477 2.089 20 0 DEADHO C[N@H+](CC1CCCCC1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675215 639577688 /nfs/dbraw/zinc/57/76/88/639577688.db2.gz QLXHKLHREDLOIZ-UHFFFAOYSA-N 1 3 318.465 2.455 20 0 DEADHO C[N@@H+](CC1CCCCC1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675215 639577692 /nfs/dbraw/zinc/57/76/92/639577692.db2.gz QLXHKLHREDLOIZ-UHFFFAOYSA-N 1 3 318.465 2.455 20 0 DEADHO CC(C)C[N@H+](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000985715021 639597596 /nfs/dbraw/zinc/59/75/96/639597596.db2.gz RLSUDUYIRFCVKN-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[N@@H+](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000985715021 639597597 /nfs/dbraw/zinc/59/75/97/639597597.db2.gz RLSUDUYIRFCVKN-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC([N@H+](C)CCF)CC2)c1 ZINC000985803971 639644878 /nfs/dbraw/zinc/64/48/78/639644878.db2.gz LLGHUURNSIGOGG-UHFFFAOYSA-N 1 3 321.440 2.254 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC([N@@H+](C)CCF)CC2)c1 ZINC000985803971 639644880 /nfs/dbraw/zinc/64/48/80/639644880.db2.gz LLGHUURNSIGOGG-UHFFFAOYSA-N 1 3 321.440 2.254 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@H]2C)c1 ZINC000987515847 640207593 /nfs/dbraw/zinc/20/75/93/640207593.db2.gz CKSSQCFFMNZVDO-WMZOPIPTSA-N 1 3 315.461 2.170 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2)CN1C(=O)CN(C)C1CCC1 ZINC000988966462 640698846 /nfs/dbraw/zinc/69/88/46/640698846.db2.gz LYDPVKYPZMDNHO-NVXWUHKLSA-N 1 3 315.461 2.250 20 0 DEADHO CC[C@H](CO)N1CCN(c2cc[nH+]c3cc(OC)ccc32)CC1 ZINC000765515725 640788351 /nfs/dbraw/zinc/78/83/51/640788351.db2.gz QYJQEWOIQDFCHD-CQSZACIVSA-N 1 3 315.417 2.136 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000766109885 640848995 /nfs/dbraw/zinc/84/89/95/640848995.db2.gz QLCYZZHPTCQEQR-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000766109885 640848997 /nfs/dbraw/zinc/84/89/97/640848997.db2.gz QLCYZZHPTCQEQR-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO Cc1cc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c(C)o1 ZINC000769525324 641256465 /nfs/dbraw/zinc/25/64/65/641256465.db2.gz HLZZTWCKUFWGIX-KBXCAEBGSA-N 1 3 305.466 2.354 20 0 DEADHO Cc1cc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c(C)o1 ZINC000769525324 641256473 /nfs/dbraw/zinc/25/64/73/641256473.db2.gz HLZZTWCKUFWGIX-KBXCAEBGSA-N 1 3 305.466 2.354 20 0 DEADHO CCc1noc(C)c1[C@H](C)[NH2+]C[C@H](C)CN1CCN(CC)CC1 ZINC000769875850 641304701 /nfs/dbraw/zinc/30/47/01/641304701.db2.gz XOKULJXWCCZZQW-GJZGRUSLSA-N 1 3 322.497 2.470 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC[C@H]2C)C1 ZINC000841064861 641543226 /nfs/dbraw/zinc/54/32/26/641543226.db2.gz VIBXPGFQLHDLIW-YIYPIFLZSA-N 1 3 318.408 2.331 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cccc3c2OCO3)CC1 ZINC000924670754 641566810 /nfs/dbraw/zinc/56/68/10/641566810.db2.gz NFRLSQKBDREBTI-HUUCEWRRSA-N 1 3 319.449 2.092 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cccc3c2OCO3)CC1 ZINC000924670749 641567234 /nfs/dbraw/zinc/56/72/34/641567234.db2.gz NFRLSQKBDREBTI-GJZGRUSLSA-N 1 3 319.449 2.092 20 0 DEADHO CN(CC1CC[NH+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000779437594 642499076 /nfs/dbraw/zinc/49/90/76/642499076.db2.gz SSNMKVSCRFRYAM-GOSISDBHSA-N 1 3 315.461 2.061 20 0 DEADHO COc1cc(OC)cc(OCCN[C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902353242 643017241 /nfs/dbraw/zinc/01/72/41/643017241.db2.gz XVCINADXHAMWOP-CQSZACIVSA-N 1 3 322.449 2.450 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@H](NC[C@H]2CCCCC[NH2+]2)C1 ZINC000902485085 643057878 /nfs/dbraw/zinc/05/78/78/643057878.db2.gz YVJSLKALUHGUSR-HZSPNIEDSA-N 1 3 318.408 2.475 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C[C@H](C)O1 ZINC000902872183 643167002 /nfs/dbraw/zinc/16/70/02/643167002.db2.gz XMSIBCIDQXYXOP-GFAGPORBSA-N 1 3 322.493 2.279 20 0 DEADHO C1CC1[N@H+]1[C@@H]2CC[C@H]1CC(N[C@@H]1CCCN3CCSC[C@@H]13)C2 ZINC000903224348 643295325 /nfs/dbraw/zinc/29/53/25/643295325.db2.gz UWNVXQHQSYNRJM-JQWQUYJUSA-N 1 3 321.534 2.314 20 0 DEADHO C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC(N[C@@H]1CCCN3CCSC[C@@H]13)C2 ZINC000903224348 643295326 /nfs/dbraw/zinc/29/53/26/643295326.db2.gz UWNVXQHQSYNRJM-JQWQUYJUSA-N 1 3 321.534 2.314 20 0 DEADHO CCOc1ccc(NC(=O)[C@H](C)N2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000903496144 643371167 /nfs/dbraw/zinc/37/11/67/643371167.db2.gz HLTRVHAYTZRHFU-QLFBSQMISA-N 1 3 319.449 2.329 20 0 DEADHO O=C(CC1CCN(C[C@@H]2CCCC[NH2+]C2)CC1)N1CCCC1 ZINC000903721660 643439001 /nfs/dbraw/zinc/43/90/01/643439001.db2.gz CRJIYHZWVORZHZ-QGZVFWFLSA-N 1 3 307.482 2.101 20 0 DEADHO CCn1nnc(C)c1CN1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794077 643457369 /nfs/dbraw/zinc/45/73/69/643457369.db2.gz ZRIYYPWNJIVULN-UHFFFAOYSA-N 1 3 313.449 2.099 20 0 DEADHO Cc1nc(C2C[C@H]3CC[C@@H](C2)N3C[C@H]2CCCC[NH2+]C2)no1 ZINC000903780649 643460161 /nfs/dbraw/zinc/46/01/61/643460161.db2.gz KPLWKHGEVPTEFZ-HNSVSWJLSA-N 1 3 304.438 2.478 20 0 DEADHO C[C@@H](C(=O)NCc1ccccc1)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000903788624 643463351 /nfs/dbraw/zinc/46/33/51/643463351.db2.gz BJSCUPUHUZAXDL-HNNXBMFYSA-N 1 3 317.477 2.388 20 0 DEADHO C[C@H](C(=O)NCc1ccccc1)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000903788629 643463373 /nfs/dbraw/zinc/46/33/73/643463373.db2.gz BJSCUPUHUZAXDL-OAHLLOKOSA-N 1 3 317.477 2.388 20 0 DEADHO C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC(C(C)(C)C[NH3+])CC1 ZINC000903788607 643463718 /nfs/dbraw/zinc/46/37/18/643463718.db2.gz BDMVDPHHEDRKIV-HUUCEWRRSA-N 1 3 309.498 2.473 20 0 DEADHO CCC[C@H](C)NC(=O)[C@H]1CCCN(C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904316449 643633997 /nfs/dbraw/zinc/63/39/97/643633997.db2.gz MCAHXPMVSSRHEE-BQFCYCMXSA-N 1 3 309.498 2.393 20 0 DEADHO CCN1CCN(c2ccc(NC[C@H]3C[C@@H]([NH3+])C3)c(C)c2)CC1 ZINC000904357959 643645609 /nfs/dbraw/zinc/64/56/09/643645609.db2.gz FSJGWADIXHNDRV-IYBDPMFKSA-N 1 3 302.466 2.286 20 0 DEADHO Cc1nn(C)c2nc(Cl)c(CN3CC[C@@H](CC[NH3+])C3)cc12 ZINC000904405652 643660044 /nfs/dbraw/zinc/66/00/44/643660044.db2.gz METMFIMGOJACQT-LLVKDONJSA-N 1 3 307.829 2.101 20 0 DEADHO CC(C)([NH3+])c1ccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)cc1 ZINC000904583186 643695994 /nfs/dbraw/zinc/69/59/94/643695994.db2.gz VOBMJNXDPTYMII-INIZCTEOSA-N 1 3 314.433 2.358 20 0 DEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000905153278 643800263 /nfs/dbraw/zinc/80/02/63/643800263.db2.gz DSVBBKLDHQPQEY-MXWKQRLJSA-N 1 3 318.330 2.397 20 0 DEADHO C[N@@H+]1CC[C@@]2(CCN(C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000795322748 644554012 /nfs/dbraw/zinc/55/40/12/644554012.db2.gz YJWXIGFQKWSJGV-MAUKXSAKSA-N 1 3 323.481 2.271 20 0 DEADHO C[N@H+]1CC[C@@]2(CCN(C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000795322748 644554015 /nfs/dbraw/zinc/55/40/15/644554015.db2.gz YJWXIGFQKWSJGV-MAUKXSAKSA-N 1 3 323.481 2.271 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C)N(C)C ZINC000907635520 644597219 /nfs/dbraw/zinc/59/72/19/644597219.db2.gz KXTUHTSRTRMZCV-HYVNUMGLSA-N 1 3 305.466 2.443 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C)N(C)C ZINC000907635519 644597484 /nfs/dbraw/zinc/59/74/84/644597484.db2.gz KXTUHTSRTRMZCV-BHYGNILZSA-N 1 3 305.466 2.443 20 0 DEADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000907761842 644635776 /nfs/dbraw/zinc/63/57/76/644635776.db2.gz GVCHYFSIVWINBI-HYVNUMGLSA-N 1 3 305.466 2.136 20 0 DEADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000907761842 644635777 /nfs/dbraw/zinc/63/57/77/644635777.db2.gz GVCHYFSIVWINBI-HYVNUMGLSA-N 1 3 305.466 2.136 20 0 DEADHO CN1CC[C@H]([NH2+]C[C@H](O)COc2cccc(F)c2)[C@@H]2CCC[C@@H]21 ZINC000796700582 644779414 /nfs/dbraw/zinc/77/94/14/644779414.db2.gz FLPWXXIQSOSRGC-DKIMLUQUSA-N 1 3 322.424 2.028 20 0 DEADHO [NH3+]CCOCCN(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000843359490 650957152 /nfs/dbraw/zinc/95/71/52/650957152.db2.gz JPJZHRSCYVSSSI-QGZVFWFLSA-N 1 3 320.458 2.259 20 0 DEADHO Cc1ccc(N2CC[C@@H](N3CCC4(C3)CC[NH2+]CC4)C2=O)cc1 ZINC000843363686 650958101 /nfs/dbraw/zinc/95/81/01/650958101.db2.gz JJVUENOEENZTDM-QGZVFWFLSA-N 1 3 313.445 2.176 20 0 DEADHO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC000908534577 644896187 /nfs/dbraw/zinc/89/61/87/644896187.db2.gz CXRVCJFVLPSHAG-SFHVURJKSA-N 1 3 307.482 2.195 20 0 DEADHO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC000908534577 644896192 /nfs/dbraw/zinc/89/61/92/644896192.db2.gz CXRVCJFVLPSHAG-SFHVURJKSA-N 1 3 307.482 2.195 20 0 DEADHO CC[NH+](CC)CC1CCN(C[C@@H](O)c2ccc(F)cn2)CC1 ZINC000799295230 645149668 /nfs/dbraw/zinc/14/96/68/645149668.db2.gz DDKCJJPNIHUBIO-QGZVFWFLSA-N 1 3 309.429 2.308 20 0 DEADHO CCN1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC000910273305 645382810 /nfs/dbraw/zinc/38/28/10/645382810.db2.gz HNFWFTMQQMOOJP-MRXNPFEDSA-N 1 3 317.477 2.347 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806131674 645801758 /nfs/dbraw/zinc/80/17/58/645801758.db2.gz LOIJUTVTVRUFOC-HIFRSBDPSA-N 1 3 322.884 2.338 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H]1CCCCN1C ZINC000911999006 645904384 /nfs/dbraw/zinc/90/43/84/645904384.db2.gz WKJKKZXPWOIJAT-IRXDYDNUSA-N 1 3 324.513 2.425 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H]1CCCCN1C ZINC000911999006 645904387 /nfs/dbraw/zinc/90/43/87/645904387.db2.gz WKJKKZXPWOIJAT-IRXDYDNUSA-N 1 3 324.513 2.425 20 0 DEADHO C[N@H+](CCC(=O)N[C@@]1(C)CN2CCC1CC2)C1CCCCC1 ZINC000912378977 646040110 /nfs/dbraw/zinc/04/01/10/646040110.db2.gz UZSMIJIZVCSMJL-SFHVURJKSA-N 1 3 307.482 2.242 20 0 DEADHO C[N@@H+](CCC(=O)N[C@@]1(C)CN2CCC1CC2)C1CCCCC1 ZINC000912378977 646040116 /nfs/dbraw/zinc/04/01/16/646040116.db2.gz UZSMIJIZVCSMJL-SFHVURJKSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H](F)CCN1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001030026625 646161922 /nfs/dbraw/zinc/16/19/22/646161922.db2.gz IHJKBJKTUOWPNN-YHUYYLMFSA-N 1 3 313.461 2.045 20 0 DEADHO C[C@H](F)CCN1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001030026625 646161926 /nfs/dbraw/zinc/16/19/26/646161926.db2.gz IHJKBJKTUOWPNN-YHUYYLMFSA-N 1 3 313.461 2.045 20 0 DEADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810413512 646359786 /nfs/dbraw/zinc/35/97/86/646359786.db2.gz UZXYNENUWSFYHM-WMLDXEAASA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000948813321 646677206 /nfs/dbraw/zinc/67/72/06/646677206.db2.gz ZKNWDVLCFUUFKK-MRXNPFEDSA-N 1 3 306.454 2.311 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000948813321 646677208 /nfs/dbraw/zinc/67/72/08/646677208.db2.gz ZKNWDVLCFUUFKK-MRXNPFEDSA-N 1 3 306.454 2.311 20 0 DEADHO C[C@H](CN[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1)C[NH+](C)C ZINC000813877051 646818498 /nfs/dbraw/zinc/81/84/98/646818498.db2.gz JFVSVGSNTLKULY-LMMKCTJWSA-N 1 3 319.493 2.063 20 0 DEADHO C[C@H](C[NH2+][C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1)CN(C)C ZINC000813877051 646818500 /nfs/dbraw/zinc/81/85/00/646818500.db2.gz JFVSVGSNTLKULY-LMMKCTJWSA-N 1 3 319.493 2.063 20 0 DEADHO CC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC000948057395 647127977 /nfs/dbraw/zinc/12/79/77/647127977.db2.gz WBUVIOKJNBGYCB-PBHICJAKSA-N 1 3 303.450 2.351 20 0 DEADHO CC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC000948057395 647127979 /nfs/dbraw/zinc/12/79/79/647127979.db2.gz WBUVIOKJNBGYCB-PBHICJAKSA-N 1 3 303.450 2.351 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)CCN1C ZINC000914077612 647147077 /nfs/dbraw/zinc/14/70/77/647147077.db2.gz SAXCHEMKEZESOP-GDBMZVCRSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)CCN1C ZINC000914077612 647147080 /nfs/dbraw/zinc/14/70/80/647147080.db2.gz SAXCHEMKEZESOP-GDBMZVCRSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CCN1C ZINC000914099250 647153602 /nfs/dbraw/zinc/15/36/02/647153602.db2.gz XISASYHFTLXQJY-OAGGEKHMSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CCN1C ZINC000914099250 647153605 /nfs/dbraw/zinc/15/36/05/647153605.db2.gz XISASYHFTLXQJY-OAGGEKHMSA-N 1 3 310.486 2.033 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc(N2CCCCC2=O)cc1 ZINC000817894138 647374105 /nfs/dbraw/zinc/37/41/05/647374105.db2.gz KAYRLAXHUJQKAX-RDJZCZTQSA-N 1 3 301.434 2.421 20 0 DEADHO COc1ccc([C@H](O)CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000817901539 647377198 /nfs/dbraw/zinc/37/71/98/647377198.db2.gz WTSAQBBPIANGFP-BRSBDYLESA-N 1 3 304.434 2.239 20 0 DEADHO O[C@]1(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CCc2ccccc21 ZINC000817917657 647381213 /nfs/dbraw/zinc/38/12/13/647381213.db2.gz RHEWYUCREJJUJG-AITUJVMLSA-N 1 3 300.446 2.331 20 0 DEADHO C[C@@H](NC1CCC(O)(c2cccnc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000817924490 647383261 /nfs/dbraw/zinc/38/32/61/647383261.db2.gz HGTYFCOVXUGMAC-CCGTUFIJSA-N 1 3 303.450 2.332 20 0 DEADHO [NH3+]C[C@H]1CCC[C@@H]1NC[C@@H](O)c1cccc(Br)c1 ZINC000817929967 647384823 /nfs/dbraw/zinc/38/48/23/647384823.db2.gz WWSVFQDPISJFTR-KWCYVHTRSA-N 1 3 313.239 2.200 20 0 DEADHO O[C@H](C[NH2+]C1CCN(CC2CC2)CC1)c1cc(F)ccc1F ZINC000818966049 647551756 /nfs/dbraw/zinc/55/17/56/647551756.db2.gz HRZMPGUKSHRANR-QGZVFWFLSA-N 1 3 310.388 2.462 20 0 DEADHO Cc1ccccc1[C@@H](O)CNCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000819265002 647621000 /nfs/dbraw/zinc/62/10/00/647621000.db2.gz KIJCEDWSNOJNJH-WMZOPIPTSA-N 1 3 306.450 2.119 20 0 DEADHO Cc1ccccc1[C@@H](O)CNCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000819265002 647621005 /nfs/dbraw/zinc/62/10/05/647621005.db2.gz KIJCEDWSNOJNJH-WMZOPIPTSA-N 1 3 306.450 2.119 20 0 DEADHO Cc1cc(F)ccc1[C@H](O)CNCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000819265438 647621070 /nfs/dbraw/zinc/62/10/70/647621070.db2.gz PCMXNHAFQASIBD-MAUKXSAKSA-N 1 3 324.440 2.258 20 0 DEADHO Cc1cc(F)ccc1[C@H](O)CNCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000819265438 647621075 /nfs/dbraw/zinc/62/10/75/647621075.db2.gz PCMXNHAFQASIBD-MAUKXSAKSA-N 1 3 324.440 2.258 20 0 DEADHO CN(CC1CC[NH+](C)CC1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000154772156 648094330 /nfs/dbraw/zinc/09/43/30/648094330.db2.gz LVAQSRBLZYVTRS-SFHVURJKSA-N 1 3 315.461 2.456 20 0 DEADHO C[C@H]1[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)CCN1C ZINC000919651974 648169402 /nfs/dbraw/zinc/16/94/02/648169402.db2.gz SBCUALWIPKMZPY-HOTGVXAUSA-N 1 3 310.486 2.034 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC)CC1(C)C ZINC000940785046 648941387 /nfs/dbraw/zinc/94/13/87/648941387.db2.gz GMCZIGQMKIYRHM-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC)CC1(C)C ZINC000940785046 648941388 /nfs/dbraw/zinc/94/13/88/648941388.db2.gz GMCZIGQMKIYRHM-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1cc([C@H](N)CC(=O)NCC[NH+]2CCCCC2)cc(Cl)n1 ZINC000827075933 648967245 /nfs/dbraw/zinc/96/72/45/648967245.db2.gz IDABFQKEWNLMPQ-CQSZACIVSA-N 1 3 324.856 2.035 20 0 DEADHO CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C(C)(C)C1 ZINC000940942301 648975088 /nfs/dbraw/zinc/97/50/88/648975088.db2.gz CEMDAIQPIALWNV-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C(C)(C)C1 ZINC000940942301 648975090 /nfs/dbraw/zinc/97/50/90/648975090.db2.gz CEMDAIQPIALWNV-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1cc([C@H](N)CC(=O)NC[C@H](C)[N@H+](C)C2CC2)cc(Cl)n1 ZINC000828506401 649188318 /nfs/dbraw/zinc/18/83/18/649188318.db2.gz CCZHQHBBHDSTST-SMDDNHRTSA-N 1 3 324.856 2.032 20 0 DEADHO Cc1cc([C@H](N)CC(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc(Cl)n1 ZINC000828506401 649188320 /nfs/dbraw/zinc/18/83/20/649188320.db2.gz CCZHQHBBHDSTST-SMDDNHRTSA-N 1 3 324.856 2.032 20 0 DEADHO CCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@H](C)C1 ZINC000942557843 649243830 /nfs/dbraw/zinc/24/38/30/649243830.db2.gz NWJPXIWROJFSAA-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@H](C)C1 ZINC000942557843 649243831 /nfs/dbraw/zinc/24/38/31/649243831.db2.gz NWJPXIWROJFSAA-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1C[N@H+](CC2CC2)CC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942555719 649246002 /nfs/dbraw/zinc/24/60/02/649246002.db2.gz OWLLJAJWRQPWEX-GDBMZVCRSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1C[N@@H+](CC2CC2)CC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942555719 649246003 /nfs/dbraw/zinc/24/60/03/649246003.db2.gz OWLLJAJWRQPWEX-GDBMZVCRSA-N 1 3 307.482 2.097 20 0 DEADHO CCN1CC[C@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000299872974 649332099 /nfs/dbraw/zinc/33/20/99/649332099.db2.gz RUCVWPUDYRGOCM-CABCVRRESA-N 1 3 311.470 2.317 20 0 DEADHO CN(CCCN1CCOC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000830651331 649474009 /nfs/dbraw/zinc/47/40/09/649474009.db2.gz APLVMYKDYBLJHO-UHFFFAOYSA-N 1 3 317.477 2.310 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)N[C@H](C)CCCC[NH3+])cc(Cl)n1 ZINC000834786495 649845323 /nfs/dbraw/zinc/84/53/23/649845323.db2.gz PBCPQUWGVLYJSU-MFKMUULPSA-N 1 3 312.845 2.067 20 0 DEADHO CC[NH2+]CC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000844176519 651086803 /nfs/dbraw/zinc/08/68/03/651086803.db2.gz QAIPUBGFWIBHHW-QGZVFWFLSA-N 1 3 303.450 2.185 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CC[C@H](C)C3)CC2)CC1 ZINC000847845356 651422799 /nfs/dbraw/zinc/42/27/99/651422799.db2.gz OBAGDKZHWCJVAO-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCC1C[C@@H](C)O[C@H](C)C1 ZINC000848992634 651573944 /nfs/dbraw/zinc/57/39/44/651573944.db2.gz NWXLTNSBUPWWBC-IIAWOOMASA-N 1 3 310.486 2.178 20 0 DEADHO FC(F)(F)C1CCN(C2CC(NC3=[NH+]CCCCN3)C2)CC1 ZINC000849216649 651621422 /nfs/dbraw/zinc/62/14/22/651621422.db2.gz PCUOWOLHCNVIPC-UHFFFAOYSA-N 1 3 318.387 2.121 20 0 DEADHO CCOC(=O)NC1CCC([NH2+]C[C@H](C)CN2CCCC2)CC1 ZINC000850425948 651926705 /nfs/dbraw/zinc/92/67/05/651926705.db2.gz YFFHXLHBPJPHHR-FHERZECASA-N 1 3 311.470 2.365 20 0 DEADHO CCCN1CC[C@H](C[NH2+]C2CCC(NC(=O)OCC)CC2)C1 ZINC000850426482 651927044 /nfs/dbraw/zinc/92/70/44/651927044.db2.gz CNXFNVGGDZBRMO-QQFBHYJXSA-N 1 3 311.470 2.365 20 0 DEADHO COC(=O)N(C)CC[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000850548331 651950574 /nfs/dbraw/zinc/95/05/74/651950574.db2.gz OMQXCOMEUUQPDG-DOTOQJQBSA-N 1 3 319.449 2.185 20 0 DEADHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCCCS(=O)(=O)c2ccccc2)C1 ZINC000925490521 651953217 /nfs/dbraw/zinc/95/32/17/651953217.db2.gz HWKCFKJWSVOZSM-LSDHHAIUSA-N 1 3 324.490 2.346 20 0 DEADHO CC1(C)C[C@@H](N)C[C@@H]([NH2+]CCCS(=O)(=O)c2ccccc2)C1 ZINC000925490521 651953223 /nfs/dbraw/zinc/95/32/23/651953223.db2.gz HWKCFKJWSVOZSM-LSDHHAIUSA-N 1 3 324.490 2.346 20 0 DEADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](CC[C@H](C)O)C2)ccn1 ZINC000856605919 651957567 /nfs/dbraw/zinc/95/75/67/651957567.db2.gz ZORMQRRNAZMZDK-YJBOKZPZSA-N 1 3 321.465 2.146 20 0 DEADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](CC[C@H](C)O)C2)ccn1 ZINC000856605919 651957571 /nfs/dbraw/zinc/95/75/71/651957571.db2.gz ZORMQRRNAZMZDK-YJBOKZPZSA-N 1 3 321.465 2.146 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000851636818 652194239 /nfs/dbraw/zinc/19/42/39/652194239.db2.gz STSCDPXTWPAOBY-RBUKOAKNSA-N 1 3 321.424 2.224 20 0 DEADHO CC[N@H+](C[C@H](O)CN(C)C(C)C)[C@H](C)[C@@H](O)c1ccccc1 ZINC000852065639 652330333 /nfs/dbraw/zinc/33/03/33/652330333.db2.gz HTHDZWVZMYNOER-KBAYOESNSA-N 1 3 308.466 2.132 20 0 DEADHO CC[N@@H+](C[C@H](O)CN(C)C(C)C)[C@H](C)[C@@H](O)c1ccccc1 ZINC000852065639 652330338 /nfs/dbraw/zinc/33/03/38/652330338.db2.gz HTHDZWVZMYNOER-KBAYOESNSA-N 1 3 308.466 2.132 20 0 DEADHO C[C@H](CNC(=O)C[C@H]1NCc2ccccc21)[NH+]1CCCCC1 ZINC000852792720 652458123 /nfs/dbraw/zinc/45/81/23/652458123.db2.gz AHGLMHFGRKQYPX-RHSMWYFYSA-N 1 3 301.434 2.212 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(C)c1 ZINC001393999762 1158149366 /nfs/dbraw/zinc/14/93/66/1158149366.db2.gz OVEODGLEAKWZNH-CVEARBPZSA-N 1 3 305.466 2.320 20 0 DEADHO CCO[C@@H]1C[C@H](NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1OC ZINC000380939481 685399439 /nfs/dbraw/zinc/39/94/39/685399439.db2.gz LUFCKXBZQZMFQB-INDMIFKZSA-N 1 3 318.461 2.291 20 0 DEADHO CCO[C@@H]1C[C@H](NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1OC ZINC000380939481 685399449 /nfs/dbraw/zinc/39/94/49/685399449.db2.gz LUFCKXBZQZMFQB-INDMIFKZSA-N 1 3 318.461 2.291 20 0 DEADHO CC(C)(COCc1ccccc1)NC[C@H](O)C[NH+]1CCCC1 ZINC000390164056 685438182 /nfs/dbraw/zinc/43/81/82/685438182.db2.gz DFLQPKLEROVMIE-KRWDZBQOSA-N 1 3 306.450 2.028 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)CCN1C ZINC000928429694 693777600 /nfs/dbraw/zinc/77/76/00/693777600.db2.gz CZILVCNRUNEHGE-OLMNPRSZSA-N 1 3 315.461 2.318 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)CCN1C ZINC000928429694 693777602 /nfs/dbraw/zinc/77/76/02/693777602.db2.gz CZILVCNRUNEHGE-OLMNPRSZSA-N 1 3 315.461 2.318 20 0 DEADHO CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001054045312 693820559 /nfs/dbraw/zinc/82/05/59/693820559.db2.gz OCJMVEPLRKAMOD-ROUUACIJSA-N 1 3 315.461 2.034 20 0 DEADHO CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001054045312 693820563 /nfs/dbraw/zinc/82/05/63/693820563.db2.gz OCJMVEPLRKAMOD-ROUUACIJSA-N 1 3 315.461 2.034 20 0 DEADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCC[S@](C)=O)CC2)C1 ZINC000126870378 684157836 /nfs/dbraw/zinc/15/78/36/684157836.db2.gz DILHZNNUNQAFKO-AKCHCHLHSA-N 1 3 300.512 2.388 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)N(C)C ZINC000131916906 684204057 /nfs/dbraw/zinc/20/40/57/684204057.db2.gz XCEKVMXNNVIUIQ-NJAFHUGGSA-N 1 3 317.477 2.496 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)N(C)C ZINC000131916906 684204059 /nfs/dbraw/zinc/20/40/59/684204059.db2.gz XCEKVMXNNVIUIQ-NJAFHUGGSA-N 1 3 317.477 2.496 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](CC3CC3)C2)C1)N(C)C ZINC001054148687 693863375 /nfs/dbraw/zinc/86/33/75/693863375.db2.gz SXFSGIYJVVLWEU-PKOBYXMFSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@]2(CC[N@@H+](CC3CC3)C2)C1)N(C)C ZINC001054148687 693863378 /nfs/dbraw/zinc/86/33/78/693863378.db2.gz SXFSGIYJVVLWEU-PKOBYXMFSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001054198503 693878958 /nfs/dbraw/zinc/87/89/58/693878958.db2.gz YMBAUJNOPLFFQW-FUHWJXTLSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001054198503 693878961 /nfs/dbraw/zinc/87/89/61/693878961.db2.gz YMBAUJNOPLFFQW-FUHWJXTLSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C[C@@H](O)CCOCc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000929699196 694008423 /nfs/dbraw/zinc/00/84/23/694008423.db2.gz IBIDWTQTYRNKJY-OALUTQOASA-N 1 3 320.477 2.228 20 0 DEADHO CN(C[C@@H](O)CCOCc1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000929699196 694008428 /nfs/dbraw/zinc/00/84/28/694008428.db2.gz IBIDWTQTYRNKJY-OALUTQOASA-N 1 3 320.477 2.228 20 0 DEADHO NCC(=O)N1CCC[C@H](C[NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000863653235 686541092 /nfs/dbraw/zinc/54/10/92/686541092.db2.gz GCMQXLLFOZJSNC-WBMJQRKESA-N 1 3 321.852 2.114 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)c1 ZINC000864620914 686781487 /nfs/dbraw/zinc/78/14/87/686781487.db2.gz RSUFJRKQSAIWSU-HOTGVXAUSA-N 1 3 302.422 2.106 20 0 DEADHO C[C@@H](c1ccc(F)nc1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000930114580 694093482 /nfs/dbraw/zinc/09/34/82/694093482.db2.gz NBNOLMXJRIEREH-AWEZNQCLSA-N 1 3 308.445 2.240 20 0 DEADHO CCCC[NH+]1CCC2(C[C@@H]2NC(=O)CN2CCC[C@H]2C)CC1 ZINC001016827937 687711778 /nfs/dbraw/zinc/71/17/78/687711778.db2.gz ARCHAHAYJLXNDF-CVEARBPZSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)=CC[NH+]1CCC2(C[C@H]2NC(=O)CN2CCC[C@H]2C)CC1 ZINC001016830816 687712616 /nfs/dbraw/zinc/71/26/16/687712616.db2.gz WIYBAUARPKRPRH-IAGOWNOFSA-N 1 3 319.493 2.408 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@H](C[N@H+](C)CC3CCC3)C2)CCC1 ZINC001017140997 687802849 /nfs/dbraw/zinc/80/28/49/687802849.db2.gz BBUDTVRGXNWCOP-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@H](C[N@@H+](C)CC3CCC3)C2)CCC1 ZINC001017140997 687802851 /nfs/dbraw/zinc/80/28/51/687802851.db2.gz BBUDTVRGXNWCOP-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001017610991 687924716 /nfs/dbraw/zinc/92/47/16/687924716.db2.gz KDKQTNXLYWTSCF-OKZBNKHCSA-N 1 3 321.509 2.440 20 0 DEADHO CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001017610991 687924717 /nfs/dbraw/zinc/92/47/17/687924717.db2.gz KDKQTNXLYWTSCF-OKZBNKHCSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1)N(C)C ZINC001019034783 688274362 /nfs/dbraw/zinc/27/43/62/688274362.db2.gz OYALFHQBXPYYKY-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001019381809 688343590 /nfs/dbraw/zinc/34/35/90/688343590.db2.gz WCMBTEACGLRLOA-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1)N(C)C ZINC001019394471 688345622 /nfs/dbraw/zinc/34/56/22/688345622.db2.gz IBPARGIVZFBATC-IRXDYDNUSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cccc(C)c2)C1)N(C)C ZINC001019395073 688346060 /nfs/dbraw/zinc/34/60/60/688346060.db2.gz ZIISJRZKYIVMDY-IRXDYDNUSA-N 1 3 303.450 2.026 20 0 DEADHO CC1CC(C[N@H+](C)C[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001029755100 688573709 /nfs/dbraw/zinc/57/37/09/688573709.db2.gz IYQBLPNWZXFFSB-AQFXKWCLSA-N 1 3 321.509 2.297 20 0 DEADHO CC1CC(C[N@@H+](C)C[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001029755100 688573711 /nfs/dbraw/zinc/57/37/11/688573711.db2.gz IYQBLPNWZXFFSB-AQFXKWCLSA-N 1 3 321.509 2.297 20 0 DEADHO CN1CCN(CC[NH2+][C@H]2CCOC3(CCCC3)C2)CC1(C)C ZINC000872069868 688921875 /nfs/dbraw/zinc/92/18/75/688921875.db2.gz VXNJRULEYDAQCD-INIZCTEOSA-N 1 3 309.498 2.094 20 0 DEADHO C[N@@H+]1CC[C@H](NCc2ccc3oc(=O)[nH]c3c2)[C@H]2CCC[C@H]21 ZINC000872122843 688932789 /nfs/dbraw/zinc/93/27/89/688932789.db2.gz OVPWFEWKZCRFND-VNHYZAJKSA-N 1 3 301.390 2.496 20 0 DEADHO C[N@H+]1CC[C@H](NCc2ccc3oc(=O)[nH]c3c2)[C@H]2CCC[C@H]21 ZINC000872122843 688932792 /nfs/dbraw/zinc/93/27/92/688932792.db2.gz OVPWFEWKZCRFND-VNHYZAJKSA-N 1 3 301.390 2.496 20 0 DEADHO CN(C(=O)CN1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1)C1CC1 ZINC000872156894 688940690 /nfs/dbraw/zinc/94/06/90/688940690.db2.gz MGKBHAHKOMXTLN-RHSMWYFYSA-N 1 3 307.482 2.227 20 0 DEADHO C[C@H](c1ccccc1)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001031680988 688978675 /nfs/dbraw/zinc/97/86/75/688978675.db2.gz BGPOPGPORIXTAR-IIDMSEBBSA-N 1 3 315.461 2.136 20 0 DEADHO C[C@H](c1ccccc1)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001031680988 688978677 /nfs/dbraw/zinc/97/86/77/688978677.db2.gz BGPOPGPORIXTAR-IIDMSEBBSA-N 1 3 315.461 2.136 20 0 DEADHO CC[C@@H](C)C[NH+]1CC(CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001032026964 689045219 /nfs/dbraw/zinc/04/52/19/689045219.db2.gz LIXQXMFESIOSHJ-WBVHZDCISA-N 1 3 309.498 2.343 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC1C[NH+](CC2=CCCCC2)C1 ZINC001032206315 689083251 /nfs/dbraw/zinc/08/32/51/689083251.db2.gz XHIZWIRAOJPLFM-SFHVURJKSA-N 1 3 319.493 2.409 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC2C[NH+](CC3CCC3)C2)c1 ZINC001032207480 689083807 /nfs/dbraw/zinc/08/38/07/689083807.db2.gz SQJJPGSOLMDWFN-UHFFFAOYSA-N 1 3 315.461 2.210 20 0 DEADHO CC(C)(C)n1cc(CN[C@@H]2CCCCC23CC[NH2+]CC3)nn1 ZINC000873231865 689190310 /nfs/dbraw/zinc/19/03/10/689190310.db2.gz SGHZHFWEYYKTRG-OAHLLOKOSA-N 1 3 305.470 2.435 20 0 DEADHO CC1(C)CC[C@@H](CNC2CCN(C(=O)c3ccoc3)CC2)[NH2+]C1 ZINC000873234995 689190969 /nfs/dbraw/zinc/19/09/69/689190969.db2.gz JRHWZEBWCGNJDO-INIZCTEOSA-N 1 3 319.449 2.252 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC2CCC2)C1 ZINC001032581076 689193329 /nfs/dbraw/zinc/19/33/29/689193329.db2.gz HSPFVMBUYVRRLE-SQNIBIBYSA-N 1 3 319.493 2.194 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC2CCC2)C1 ZINC001032581076 689193330 /nfs/dbraw/zinc/19/33/30/689193330.db2.gz HSPFVMBUYVRRLE-SQNIBIBYSA-N 1 3 319.493 2.194 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CC2)C1 ZINC001032581231 689193666 /nfs/dbraw/zinc/19/36/66/689193666.db2.gz NNSCTLJJZQKIRE-BZSNNMDCSA-N 1 3 319.493 2.194 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CC2)C1 ZINC001032581231 689193669 /nfs/dbraw/zinc/19/36/69/689193669.db2.gz NNSCTLJJZQKIRE-BZSNNMDCSA-N 1 3 319.493 2.194 20 0 DEADHO N[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC3(CO2)CCOCC3)c2ccccc21 ZINC000873251026 689194415 /nfs/dbraw/zinc/19/44/15/689194415.db2.gz IAKDPLIKNOIBNV-IAOVAPTHSA-N 1 3 302.418 2.307 20 0 DEADHO [NH3+][C@H]1CCC[C@H](N[C@H]2C[C@H](C(=O)OCc3ccccc3)C2)C1 ZINC000873273869 689199841 /nfs/dbraw/zinc/19/98/41/689199841.db2.gz OBPCCDGYTUUADJ-QAETUUGQSA-N 1 3 302.418 2.368 20 0 DEADHO CC[C@@H](C(=O)N[C@@]1(C)CCN(CCCF)C1)[NH+](CC)CC ZINC001375847528 1158890307 /nfs/dbraw/zinc/89/03/07/1158890307.db2.gz XQYXOOOSIDYSRW-HOCLYGCPSA-N 1 3 301.450 2.047 20 0 DEADHO CC[C@@H](C(=O)N[C@@]1(C)CC[N@H+](CCCF)C1)N(CC)CC ZINC001375847528 1158890309 /nfs/dbraw/zinc/89/03/09/1158890309.db2.gz XQYXOOOSIDYSRW-HOCLYGCPSA-N 1 3 301.450 2.047 20 0 DEADHO CC[C@@H](C(=O)N[C@@]1(C)CC[N@@H+](CCCF)C1)N(CC)CC ZINC001375847528 1158890313 /nfs/dbraw/zinc/89/03/13/1158890313.db2.gz XQYXOOOSIDYSRW-HOCLYGCPSA-N 1 3 301.450 2.047 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001033127570 689398638 /nfs/dbraw/zinc/39/86/38/689398638.db2.gz WAFQJBCXKXKZDD-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033127570 689398640 /nfs/dbraw/zinc/39/86/40/689398640.db2.gz WAFQJBCXKXKZDD-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)=CCN1CC[C@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033295065 689452172 /nfs/dbraw/zinc/45/21/72/689452172.db2.gz HPWMQRHYQZJZCE-ROUUACIJSA-N 1 3 319.493 2.360 20 0 DEADHO C[C@@H](C(=O)N(C)[C@H]1CCN(CCCF)C1)[NH+]1CCCCCC1 ZINC001033466577 689511188 /nfs/dbraw/zinc/51/11/88/689511188.db2.gz GAOAADKHFVUOBE-HOTGVXAUSA-N 1 3 313.461 2.143 20 0 DEADHO C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CCCF)C1)N1CCCCCC1 ZINC001033466577 689511192 /nfs/dbraw/zinc/51/11/92/689511192.db2.gz GAOAADKHFVUOBE-HOTGVXAUSA-N 1 3 313.461 2.143 20 0 DEADHO C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](CCCF)C1)N1CCCCCC1 ZINC001033466577 689511193 /nfs/dbraw/zinc/51/11/93/689511193.db2.gz GAOAADKHFVUOBE-HOTGVXAUSA-N 1 3 313.461 2.143 20 0 DEADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000874840013 689512842 /nfs/dbraw/zinc/51/28/42/689512842.db2.gz ZATRGNLEECJPQA-KBAYOESNSA-N 1 3 319.493 2.336 20 0 DEADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000874840013 689512844 /nfs/dbraw/zinc/51/28/44/689512844.db2.gz ZATRGNLEECJPQA-KBAYOESNSA-N 1 3 319.493 2.336 20 0 DEADHO CC[C@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001033588822 689553127 /nfs/dbraw/zinc/55/31/27/689553127.db2.gz LCFBAVQZWGODAG-UONOGXRCSA-N 1 3 306.454 2.266 20 0 DEADHO CC[C@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001033588822 689553129 /nfs/dbraw/zinc/55/31/29/689553129.db2.gz LCFBAVQZWGODAG-UONOGXRCSA-N 1 3 306.454 2.266 20 0 DEADHO CCN(C(=O)[C@H]1CCCN1C(C)C)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001033825638 689628391 /nfs/dbraw/zinc/62/83/91/689628391.db2.gz GJKFMLKEAXRQGF-DLBZAZTESA-N 1 3 309.498 2.438 20 0 DEADHO CCN(C(=O)[C@H]1CCCN1C(C)C)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001033825638 689628394 /nfs/dbraw/zinc/62/83/94/689628394.db2.gz GJKFMLKEAXRQGF-DLBZAZTESA-N 1 3 309.498 2.438 20 0 DEADHO CCN(C(=O)NCCC1CC[NH+](C(C)C)CC1)[C@H]1CCN(C)C1 ZINC000876027121 689741531 /nfs/dbraw/zinc/74/15/31/689741531.db2.gz CBULNZGYUJCFAA-KRWDZBQOSA-N 1 3 324.513 2.233 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC(C)C)C1 ZINC001034240967 689778078 /nfs/dbraw/zinc/77/80/78/689778078.db2.gz VNXREZVTGJGZGP-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC(C)C)C1 ZINC001034240967 689778080 /nfs/dbraw/zinc/77/80/80/689778080.db2.gz VNXREZVTGJGZGP-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876883423 689963491 /nfs/dbraw/zinc/96/34/91/689963491.db2.gz BMZYIGAYUXGAQL-UONOGXRCSA-N 1 3 309.479 2.012 20 0 DEADHO C[C@@H](NC1CC[NH+](CC(C)(C)O)CC1)[C@H](O)c1ccc(F)cc1 ZINC000877034632 690003494 /nfs/dbraw/zinc/00/34/94/690003494.db2.gz LZVASQICEGRWBN-DYVFJYSZSA-N 1 3 324.440 2.073 20 0 DEADHO C[C@@H](NC1CC[NH+](CC(C)(C)O)CC1)[C@H](O)c1cccc(F)c1 ZINC000877083118 690014427 /nfs/dbraw/zinc/01/44/27/690014427.db2.gz IEVRMOYNVDDIDY-DYVFJYSZSA-N 1 3 324.440 2.073 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccsc1)N(C)C ZINC001035052154 690022131 /nfs/dbraw/zinc/02/21/31/690022131.db2.gz FVFBRTIEUDINOL-CABCVRRESA-N 1 3 309.479 2.169 20 0 DEADHO CN(C)C1(C(=O)N2CCC3(CC[N@H+](CC4CC4)C3)CC2)CCC1 ZINC001035194119 690056506 /nfs/dbraw/zinc/05/65/06/690056506.db2.gz VIZPSAOLHRHJCI-UHFFFAOYSA-N 1 3 319.493 2.195 20 0 DEADHO CN(C)C1(C(=O)N2CCC3(CC[N@@H+](CC4CC4)C3)CC2)CCC1 ZINC001035194119 690056510 /nfs/dbraw/zinc/05/65/10/690056510.db2.gz VIZPSAOLHRHJCI-UHFFFAOYSA-N 1 3 319.493 2.195 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1)N(C)C ZINC000877444761 690115267 /nfs/dbraw/zinc/11/52/67/690115267.db2.gz PNVFHHMKVZAVJF-DJIMGWMZSA-N 1 3 309.498 2.473 20 0 DEADHO CCCC[NH+]1CC2(C1)CCN(C(=O)CN1CCC[C@H]1C)CC2 ZINC001035799199 690179795 /nfs/dbraw/zinc/17/97/95/690179795.db2.gz VUNDRCLTECUYSY-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO CN(C)c1cccc(C[NH+]2CCC(N3CCCOCC3)CC2)c1 ZINC000931286786 694357667 /nfs/dbraw/zinc/35/76/67/694357667.db2.gz KBWRNOMTZCSIOL-UHFFFAOYSA-N 1 3 317.477 2.439 20 0 DEADHO C[C@@H]1CN(C[C@H]2CCC3(CCC3)O2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000878325056 690379379 /nfs/dbraw/zinc/37/93/79/690379379.db2.gz QUBBSBVNJUEAEL-KURKYZTESA-N 1 3 321.509 2.046 20 0 DEADHO CCCCC[C@@H](C)NC(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000878865011 690516485 /nfs/dbraw/zinc/51/64/85/690516485.db2.gz COMSGSCYWUSQHH-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CC[C@@](C)(NCC(=O)NC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000879128176 690573379 /nfs/dbraw/zinc/57/33/79/690573379.db2.gz GNOUEUDYTALUET-GOSISDBHSA-N 1 3 321.440 2.251 20 0 DEADHO CCCN(CCC)C(=O)CN1CCC2(CC1)CC[NH+](C)CC2 ZINC000879247106 690602032 /nfs/dbraw/zinc/60/20/32/690602032.db2.gz NJRDABCVBUAOOE-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CC[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CC1CC1 ZINC001037862260 690626092 /nfs/dbraw/zinc/62/60/92/690626092.db2.gz VBJBVCFOTIWIGL-RDJZCZTQSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1[NH2+]CC1CC1 ZINC001037928432 690642693 /nfs/dbraw/zinc/64/26/93/690642693.db2.gz UIOVEXKCTQEIGK-SJORKVTESA-N 1 3 321.509 2.345 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC(CC)CC ZINC001038325214 690782319 /nfs/dbraw/zinc/78/23/19/690782319.db2.gz CVCLVACLVWWMMJ-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC(CC)CC ZINC001038325214 690782322 /nfs/dbraw/zinc/78/23/22/690782322.db2.gz CVCLVACLVWWMMJ-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO COCCSCCCN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261900 690854497 /nfs/dbraw/zinc/85/44/97/690854497.db2.gz ZVHITGBYBDKVQG-HNNXBMFYSA-N 1 3 309.479 2.362 20 0 DEADHO Cc1ccccc1OCCCN1CCC(O)(C[NH+](C)C)CC1 ZINC000931483966 694409637 /nfs/dbraw/zinc/40/96/37/694409637.db2.gz IFZKHHVSVWUOGE-UHFFFAOYSA-N 1 3 306.450 2.152 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCN1CC(C)C ZINC001038908139 690963765 /nfs/dbraw/zinc/96/37/65/690963765.db2.gz HYJXCXVYSJORRQ-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCN1CC(C)C ZINC001038908139 690963769 /nfs/dbraw/zinc/96/37/69/690963769.db2.gz HYJXCXVYSJORRQ-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039163639 691037018 /nfs/dbraw/zinc/03/70/18/691037018.db2.gz FBPGHOYJFZMSPY-NVXWUHKLSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039163639 691037020 /nfs/dbraw/zinc/03/70/20/691037020.db2.gz FBPGHOYJFZMSPY-NVXWUHKLSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039233586 691063259 /nfs/dbraw/zinc/06/32/59/691063259.db2.gz MBKMRQHFCPNZKA-SJORKVTESA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039233586 691063260 /nfs/dbraw/zinc/06/32/60/691063260.db2.gz MBKMRQHFCPNZKA-SJORKVTESA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039240498 691065465 /nfs/dbraw/zinc/06/54/65/691065465.db2.gz XFDGTZCNPHIPNL-NVXWUHKLSA-N 1 3 318.465 2.455 20 0 DEADHO CCCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039240498 691065468 /nfs/dbraw/zinc/06/54/68/691065468.db2.gz XFDGTZCNPHIPNL-NVXWUHKLSA-N 1 3 318.465 2.455 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039240504 691066006 /nfs/dbraw/zinc/06/60/06/691066006.db2.gz XFDGTZCNPHIPNL-WBVHZDCISA-N 1 3 318.465 2.455 20 0 DEADHO CCCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039240504 691066009 /nfs/dbraw/zinc/06/60/09/691066009.db2.gz XFDGTZCNPHIPNL-WBVHZDCISA-N 1 3 318.465 2.455 20 0 DEADHO CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCN1C ZINC001039268957 691072778 /nfs/dbraw/zinc/07/27/78/691072778.db2.gz HMQALSOHFJRUKZ-HMQMGEFJSA-N 1 3 307.482 2.238 20 0 DEADHO CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCN1C(C)C ZINC001039373855 691091474 /nfs/dbraw/zinc/09/14/74/691091474.db2.gz RDKVPQDDHJWXBJ-IXDOHACOSA-N 1 3 307.482 2.335 20 0 DEADHO CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCN1C(C)C ZINC001039373855 691091477 /nfs/dbraw/zinc/09/14/77/691091477.db2.gz RDKVPQDDHJWXBJ-IXDOHACOSA-N 1 3 307.482 2.335 20 0 DEADHO CC(C)[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040465536 691251981 /nfs/dbraw/zinc/25/19/81/691251981.db2.gz ZYZLUHWOGGLSEF-IBGZPJMESA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040465536 691251983 /nfs/dbraw/zinc/25/19/83/691251983.db2.gz ZYZLUHWOGGLSEF-IBGZPJMESA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[NH+]1CCC2(CCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001040727113 691283109 /nfs/dbraw/zinc/28/31/09/691283109.db2.gz OSDYKTZVQMJYCE-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[NH+]1CCC2(CCN(C(=O)CN3CCC(C)CC3)C2)CC1 ZINC001040893951 691296103 /nfs/dbraw/zinc/29/61/03/691296103.db2.gz FBBMLXHTSJIOMG-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CC3CCC3)C2)C1)C1CC1 ZINC001041357721 691367218 /nfs/dbraw/zinc/36/72/18/691367218.db2.gz IMHCDEAKKNVPHG-PKOBYXMFSA-N 1 3 319.493 2.051 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1)C1CC1 ZINC001041357721 691367220 /nfs/dbraw/zinc/36/72/20/691367220.db2.gz IMHCDEAKKNVPHG-PKOBYXMFSA-N 1 3 319.493 2.051 20 0 DEADHO CC[C@H](C(=O)N1CC[C@]2(CC[N@H+](CCC(C)C)C2)C1)N(C)C ZINC001041407275 691371369 /nfs/dbraw/zinc/37/13/69/691371369.db2.gz OIVBBOHKXITNTG-AEFFLSMTSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CCC(C)C)C2)C1)N(C)C ZINC001041407275 691371370 /nfs/dbraw/zinc/37/13/70/691371370.db2.gz OIVBBOHKXITNTG-AEFFLSMTSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CCC(C)C)C2)C1)N(C)C ZINC001041407282 691371668 /nfs/dbraw/zinc/37/16/68/691371668.db2.gz OIVBBOHKXITNTG-SJLPKXTDSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCC(C)C)C2)C1)N(C)C ZINC001041407282 691371670 /nfs/dbraw/zinc/37/16/70/691371670.db2.gz OIVBBOHKXITNTG-SJLPKXTDSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001041674051 691408535 /nfs/dbraw/zinc/40/85/35/691408535.db2.gz HOAJHNAEYOXOEM-QFBILLFUSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001041674051 691408536 /nfs/dbraw/zinc/40/85/36/691408536.db2.gz HOAJHNAEYOXOEM-QFBILLFUSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001041674949 691408632 /nfs/dbraw/zinc/40/86/32/691408632.db2.gz MUBQPNQREQCMIB-APWZRJJASA-N 1 3 319.493 2.195 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001041674949 691408634 /nfs/dbraw/zinc/40/86/34/691408634.db2.gz MUBQPNQREQCMIB-APWZRJJASA-N 1 3 319.493 2.195 20 0 DEADHO CC(C)C[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001041674126 691408687 /nfs/dbraw/zinc/40/86/87/691408687.db2.gz IESYLTFQHSILRK-AEFFLSMTSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)C[N@H+]1CC[C@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001041674126 691408689 /nfs/dbraw/zinc/40/86/89/691408689.db2.gz IESYLTFQHSILRK-AEFFLSMTSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CCC3CC3)C2)C1)N(C)C ZINC001041687845 691410371 /nfs/dbraw/zinc/41/03/71/691410371.db2.gz RZBYJIOLRAIOSP-FUHWJXTLSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1)N(C)C ZINC001041687845 691410373 /nfs/dbraw/zinc/41/03/73/691410373.db2.gz RZBYJIOLRAIOSP-FUHWJXTLSA-N 1 3 307.482 2.051 20 0 DEADHO CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001041756331 691424763 /nfs/dbraw/zinc/42/47/63/691424763.db2.gz FYUYAOLXRXCLFI-LJQANCHMSA-N 1 3 321.509 2.443 20 0 DEADHO CCCC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001041756331 691424766 /nfs/dbraw/zinc/42/47/66/691424766.db2.gz FYUYAOLXRXCLFI-LJQANCHMSA-N 1 3 321.509 2.443 20 0 DEADHO COC[C@H](NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@H]1CCCOC1 ZINC000883173383 691447674 /nfs/dbraw/zinc/44/76/74/691447674.db2.gz JWBQMEAAJUDXKF-BDXSIMOUSA-N 1 3 312.498 2.386 20 0 DEADHO C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCC2(CCOCC2)CO1 ZINC000883254161 691466686 /nfs/dbraw/zinc/46/66/86/691466686.db2.gz LSKHDIABOOKWLG-ZACQAIPSSA-N 1 3 308.466 2.179 20 0 DEADHO C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCC2(CCOCC2)CO1 ZINC000883254161 691466689 /nfs/dbraw/zinc/46/66/89/691466689.db2.gz LSKHDIABOOKWLG-ZACQAIPSSA-N 1 3 308.466 2.179 20 0 DEADHO CC1(C)C[NH2+]C[C@H]1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000884178515 691675195 /nfs/dbraw/zinc/67/51/95/691675195.db2.gz NJHOQASFQRZOBK-KBPBESRZSA-N 1 3 321.490 2.247 20 0 DEADHO N[C@H](CC1CC1)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000884196840 691679421 /nfs/dbraw/zinc/67/94/21/691679421.db2.gz CQCOKMHHBKBDOK-QGZVFWFLSA-N 1 3 307.482 2.228 20 0 DEADHO N[C@H](CC1CC1)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000884196840 691679423 /nfs/dbraw/zinc/67/94/23/691679423.db2.gz CQCOKMHHBKBDOK-QGZVFWFLSA-N 1 3 307.482 2.228 20 0 DEADHO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000884408218 691731756 /nfs/dbraw/zinc/73/17/56/691731756.db2.gz AGFSVKYGSJATQQ-JKSUJKDBSA-N 1 3 319.449 2.296 20 0 DEADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)C1CN(CC2CCCCCC2)C1 ZINC001043883443 691745789 /nfs/dbraw/zinc/74/57/89/691745789.db2.gz XWRWPZAPENKNFH-YJBOKZPZSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CN(CC2CCCCCC2)C1 ZINC001043883443 691745790 /nfs/dbraw/zinc/74/57/90/691745790.db2.gz XWRWPZAPENKNFH-YJBOKZPZSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2)CCN1C(=O)CN1CCCC1 ZINC001044856685 691897807 /nfs/dbraw/zinc/89/78/07/691897807.db2.gz BROYSDQZAHRBOP-WMZOPIPTSA-N 1 3 315.461 2.252 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2C[NH2+]Cc2ccsc2)C1 ZINC001045200299 691951241 /nfs/dbraw/zinc/95/12/41/691951241.db2.gz TWYWTAFVQVKIQZ-HOCLYGCPSA-N 1 3 321.490 2.171 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC1=CCCCC1)N(C)C ZINC001045205482 691951407 /nfs/dbraw/zinc/95/14/07/691951407.db2.gz LXDHJCBXJILUOI-IRXDYDNUSA-N 1 3 307.482 2.408 20 0 DEADHO O=C(CN1CCCC1)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045311017 691961540 /nfs/dbraw/zinc/96/15/40/691961540.db2.gz CFZYDILOVJBXDP-KRWDZBQOSA-N 1 3 307.482 2.243 20 0 DEADHO Cc1cccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCCC2)c1 ZINC001045310977 691961712 /nfs/dbraw/zinc/96/17/12/691961712.db2.gz ZPFQJDCZURVLSN-SFHVURJKSA-N 1 3 315.461 2.171 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045969598 692065135 /nfs/dbraw/zinc/06/51/35/692065135.db2.gz USLVGRHKIQAVDX-GOSISDBHSA-N 1 3 318.465 2.313 20 0 DEADHO CC(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045969598 692065138 /nfs/dbraw/zinc/06/51/38/692065138.db2.gz USLVGRHKIQAVDX-GOSISDBHSA-N 1 3 318.465 2.313 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001046316049 692150399 /nfs/dbraw/zinc/15/03/99/692150399.db2.gz MZEBPIJCLSTZIV-WMZOPIPTSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001046316049 692150402 /nfs/dbraw/zinc/15/04/02/692150402.db2.gz MZEBPIJCLSTZIV-WMZOPIPTSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C[C@@H](O)Cc1ccccc1 ZINC000887135066 692288114 /nfs/dbraw/zinc/28/81/14/692288114.db2.gz VRVCCENRDAOPIA-APWZRJJASA-N 1 3 311.429 2.196 20 0 DEADHO CC(C)[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001048481614 692627505 /nfs/dbraw/zinc/62/75/05/692627505.db2.gz ZWYIRBYWNPTABZ-NVXWUHKLSA-N 1 3 317.477 2.454 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2C1 ZINC001049231723 692795765 /nfs/dbraw/zinc/79/57/65/692795765.db2.gz JGSOZGJXGXDRFK-AHCXZYCDSA-N 1 3 319.493 2.050 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@@H]2C[N@H+](CC3CCC3)C[C@@H]2C1 ZINC001049231723 692795767 /nfs/dbraw/zinc/79/57/67/692795767.db2.gz JGSOZGJXGXDRFK-AHCXZYCDSA-N 1 3 319.493 2.050 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCC1)N(C)C ZINC001049534608 692914909 /nfs/dbraw/zinc/91/49/09/692914909.db2.gz WNXADYCKCLLYQB-SQNIBIBYSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CCC1)N(C)C ZINC001049534608 692914913 /nfs/dbraw/zinc/91/49/13/692914913.db2.gz WNXADYCKCLLYQB-SQNIBIBYSA-N 1 3 321.509 2.438 20 0 DEADHO C[C@@H](NCc1ccnc(N2CC[NH+](C)CC2)c1)c1ccns1 ZINC000924689764 693171747 /nfs/dbraw/zinc/17/17/47/693171747.db2.gz MMMXNFQGCRDXBT-CYBMUJFWSA-N 1 3 317.462 2.141 20 0 DEADHO C[C@@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1ccns1 ZINC000924689764 693171749 /nfs/dbraw/zinc/17/17/49/693171749.db2.gz MMMXNFQGCRDXBT-CYBMUJFWSA-N 1 3 317.462 2.141 20 0 DEADHO CCN1CC[C@H](C[NH2+][C@H](C)[C@H](NC(C)=O)c2ccccc2F)C1 ZINC000924708420 693175148 /nfs/dbraw/zinc/17/51/48/693175148.db2.gz YEXMVXGXUJMFNR-SIIHOXLZSA-N 1 3 321.440 2.323 20 0 DEADHO CC(C)=CC[NH+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001050542333 693203898 /nfs/dbraw/zinc/20/38/98/693203898.db2.gz DEFGHIHQLDJWPY-UHFFFAOYSA-N 1 3 319.493 2.361 20 0 DEADHO CC(C)=CC[NH+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001050546680 693205097 /nfs/dbraw/zinc/20/50/97/693205097.db2.gz QVJKGDGVPYZMPQ-UHFFFAOYSA-N 1 3 319.493 2.361 20 0 DEADHO C[C@@H](NCCc1ccc(OCC[NH+](C)C)cc1)c1cn(C)cn1 ZINC000924969941 693208881 /nfs/dbraw/zinc/20/88/81/693208881.db2.gz NVMPVWAMSDWULE-OAHLLOKOSA-N 1 3 316.449 2.254 20 0 DEADHO CC(C)C[NH+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC1 ZINC001050652735 693224375 /nfs/dbraw/zinc/22/43/75/693224375.db2.gz YVGGKRRWAHTHIY-MRXNPFEDSA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)=CC[NH+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001050662189 693227002 /nfs/dbraw/zinc/22/70/02/693227002.db2.gz FYIOBIPCNDMVAJ-QGZVFWFLSA-N 1 3 319.493 2.219 20 0 DEADHO N[C@@H]1C[C@H]([NH2+]CCc2ccn(-c3ccc(F)cc3)n2)C12CCC2 ZINC000925524574 693288987 /nfs/dbraw/zinc/28/89/87/693288987.db2.gz VQECNDACIXOXON-SJORKVTESA-N 1 3 314.408 2.413 20 0 DEADHO COc1ccsc1[C@@H](C)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925858071 693355893 /nfs/dbraw/zinc/35/58/93/693355893.db2.gz RYKAOEJSTGUZFH-VXGBXAGGSA-N 1 3 324.446 2.093 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](CO)c1ccc(Cl)cc1 ZINC000926429705 693447200 /nfs/dbraw/zinc/44/72/00/693447200.db2.gz OVVGWJDXNITMLH-AWVCJSPBSA-N 1 3 308.853 2.346 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](N[C@@H](C)c1ccns1)C2 ZINC000926879135 693523345 /nfs/dbraw/zinc/52/33/45/693523345.db2.gz IQBBUNLLQBWAGT-QPHFJENPSA-N 1 3 309.479 2.273 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](N[C@@H](C)c1ccns1)C2 ZINC000926879135 693523347 /nfs/dbraw/zinc/52/33/47/693523347.db2.gz IQBBUNLLQBWAGT-QPHFJENPSA-N 1 3 309.479 2.273 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2CCC[N@H+](CC3CCC3)CC2)C1 ZINC001052711968 693601098 /nfs/dbraw/zinc/60/10/98/693601098.db2.gz CCSZVWHLLHWNHC-WBVHZDCISA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2CCC[N@@H+](CC3CCC3)CC2)C1 ZINC001052711968 693601100 /nfs/dbraw/zinc/60/11/00/693601100.db2.gz CCSZVWHLLHWNHC-WBVHZDCISA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CCC[N@H+](CC2CCC2)CC1 ZINC001052716489 693601788 /nfs/dbraw/zinc/60/17/88/693601788.db2.gz NKPRURFSUFPOTL-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC001052716489 693601791 /nfs/dbraw/zinc/60/17/91/693601791.db2.gz NKPRURFSUFPOTL-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CC2CC2)CC1 ZINC001052985556 693662189 /nfs/dbraw/zinc/66/21/89/693662189.db2.gz RPYMCKIYWSLTFF-HDICACEKSA-N 1 3 319.493 2.336 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001402230559 1162299101 /nfs/dbraw/zinc/29/91/01/1162299101.db2.gz GSVQUWISJRODTR-PXYYCUNGSA-N 1 3 313.873 2.051 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001402230559 1162299107 /nfs/dbraw/zinc/29/91/07/1162299107.db2.gz GSVQUWISJRODTR-PXYYCUNGSA-N 1 3 313.873 2.051 20 0 DEADHO CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001370643029 1149824981 /nfs/dbraw/zinc/82/49/81/1149824981.db2.gz MHXVLBSXDQXLRX-SOUVJXGZSA-N 1 3 313.461 2.236 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001402588466 1162402653 /nfs/dbraw/zinc/40/26/53/1162402653.db2.gz BXGBTBXZDZWZNZ-BBWFWOEESA-N 1 3 321.440 2.149 20 0 DEADHO CN(CCC[N@H+](C)CC1CC2(CCC2)C1)C(=O)CN1CCCC1 ZINC001402658849 1162432700 /nfs/dbraw/zinc/43/27/00/1162432700.db2.gz INWIVNLIEMEKIB-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CN(CCC[N@@H+](C)CC1CC2(CCC2)C1)C(=O)CN1CCCC1 ZINC001402658849 1162432703 /nfs/dbraw/zinc/43/27/03/1162432703.db2.gz INWIVNLIEMEKIB-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO Cc1cc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)cc(C)n1 ZINC001414101693 1151755067 /nfs/dbraw/zinc/75/50/67/1151755067.db2.gz YIINJQDVEXFERU-MSOLQXFVSA-N 1 3 303.450 2.166 20 0 DEADHO CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001402715495 1162448526 /nfs/dbraw/zinc/44/85/26/1162448526.db2.gz MHIZZVDYIPCWHJ-SFHVURJKSA-N 1 3 309.498 2.299 20 0 DEADHO CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001402715495 1162448529 /nfs/dbraw/zinc/44/85/29/1162448529.db2.gz MHIZZVDYIPCWHJ-SFHVURJKSA-N 1 3 309.498 2.299 20 0 DEADHO C[C@@H](CC[NH2+]C[C@H](O)c1ccc(Br)cc1)N(C)C ZINC001356597120 1152094022 /nfs/dbraw/zinc/09/40/22/1152094022.db2.gz QHLDSWDHJSFSFF-FZMZJTMJSA-N 1 3 315.255 2.412 20 0 DEADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H]1CCC[N@H+](CCCF)C1 ZINC001402767805 1162465171 /nfs/dbraw/zinc/46/51/71/1162465171.db2.gz RFHGEJQZIJAZJL-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H]1CCC[N@@H+](CCCF)C1 ZINC001402767805 1162465172 /nfs/dbraw/zinc/46/51/72/1162465172.db2.gz RFHGEJQZIJAZJL-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO CN(CC(=O)N(C)C1CC([NH2+]CCC2CC2)C1)CC(C)(C)C ZINC001380169761 1152761697 /nfs/dbraw/zinc/76/16/97/1152761697.db2.gz CMHJRAPYTGVDQI-UHFFFAOYSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1cccc(CN(CCN(C)C)C(=O)[C@@H](C)CC[NH+](C)C)c1 ZINC001362224630 1152854457 /nfs/dbraw/zinc/85/44/57/1152854457.db2.gz UALXDUICXJYCJD-KRWDZBQOSA-N 1 3 319.493 2.473 20 0 DEADHO CN(C)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001362246364 1152859733 /nfs/dbraw/zinc/85/97/33/1152859733.db2.gz FHCIYCNFKDPDOM-CRAIPNDOSA-N 1 3 317.477 2.485 20 0 DEADHO Cc1cccc(C[N@@H+](C)CCCN(C)C(=O)[C@H]2CCCN2C)c1 ZINC001380950578 1152884252 /nfs/dbraw/zinc/88/42/52/1152884252.db2.gz VUNHQNLZJSRWAM-GOSISDBHSA-N 1 3 317.477 2.370 20 0 DEADHO Cc1cccc(C[N@H+](C)CCCN(C)C(=O)[C@H]2CCCN2C)c1 ZINC001380950578 1152884254 /nfs/dbraw/zinc/88/42/54/1152884254.db2.gz VUNHQNLZJSRWAM-GOSISDBHSA-N 1 3 317.477 2.370 20 0 DEADHO Cc1cccc(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001380950581 1152884306 /nfs/dbraw/zinc/88/43/06/1152884306.db2.gz VUNHQNLZJSRWAM-SFHVURJKSA-N 1 3 317.477 2.370 20 0 DEADHO Cc1cccc(C[N@H+](C)CCCN(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001380950581 1152884307 /nfs/dbraw/zinc/88/43/07/1152884307.db2.gz VUNHQNLZJSRWAM-SFHVURJKSA-N 1 3 317.477 2.370 20 0 DEADHO CC(C)N1Cc2ccc(CNC(=O)CCC[NH+](C)C)cc2C1 ZINC001381068403 1152899043 /nfs/dbraw/zinc/89/90/43/1152899043.db2.gz NVEORQBNQWKMLL-UHFFFAOYSA-N 1 3 303.450 2.369 20 0 DEADHO CCC(CC)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001381095760 1152906825 /nfs/dbraw/zinc/90/68/25/1152906825.db2.gz IDOMJEAHJTYGJX-GOEBONIOSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](F)C[NH2+]C1(C)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001381107805 1152910766 /nfs/dbraw/zinc/91/07/66/1152910766.db2.gz HCCRZBVDUQKVAH-AWEZNQCLSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CC2)CC1(C)C)N(C)C ZINC001381135814 1152922818 /nfs/dbraw/zinc/92/28/18/1152922818.db2.gz RDTKOLAFGHDSTJ-CVEARBPZSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC1(C)C)N(C)C ZINC001381135814 1152922821 /nfs/dbraw/zinc/92/28/21/1152922821.db2.gz RDTKOLAFGHDSTJ-CVEARBPZSA-N 1 3 309.498 2.199 20 0 DEADHO CCCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC001362719801 1153057735 /nfs/dbraw/zinc/05/77/35/1153057735.db2.gz NOAOIHQWDGFQQN-OWCLPIDISA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)C1C[NH+](CC2CCCC2)C1 ZINC001381783667 1153221307 /nfs/dbraw/zinc/22/13/07/1153221307.db2.gz GPURXCUJKPKOEY-AWEZNQCLSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2)N1CCCCCC1 ZINC001363137461 1153238861 /nfs/dbraw/zinc/23/88/61/1153238861.db2.gz BRAHCRKKAQYWGR-BZUAXINKSA-N 1 3 307.482 2.240 20 0 DEADHO CCC(CC)C[NH+]1CC([C@@H](C)NC(=O)CN2CC[C@H](C)C2)C1 ZINC001381825159 1153239892 /nfs/dbraw/zinc/23/98/92/1153239892.db2.gz REGRJWAGWPCNDD-LSDHHAIUSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(F)cc1 ZINC001382087700 1153351859 /nfs/dbraw/zinc/35/18/59/1153351859.db2.gz DDUMGIZZSUPFNH-AWEZNQCLSA-N 1 3 321.440 2.247 20 0 DEADHO CC(C)(C)OC(=O)N[C@H]1C[C@@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC001363430432 1153398754 /nfs/dbraw/zinc/39/87/54/1153398754.db2.gz UYUOMTZHUFVVSN-KBXIAJHMSA-N 1 3 309.454 2.259 20 0 DEADHO CC(C)(C)OC(=O)N[C@H]1C[C@@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC001363430432 1153398760 /nfs/dbraw/zinc/39/87/60/1153398760.db2.gz UYUOMTZHUFVVSN-KBXIAJHMSA-N 1 3 309.454 2.259 20 0 DEADHO COc1cncc(/C=C/CCN2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c1 ZINC001363843275 1153662401 /nfs/dbraw/zinc/66/24/01/1153662401.db2.gz VOBBIMOXIXNWII-QIMDTJCCSA-N 1 3 301.434 2.377 20 0 DEADHO COc1cncc(/C=C/CCN2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c1 ZINC001363843275 1153662404 /nfs/dbraw/zinc/66/24/04/1153662404.db2.gz VOBBIMOXIXNWII-QIMDTJCCSA-N 1 3 301.434 2.377 20 0 DEADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12)C1CN(C(=O)OC(C)(C)C)C1 ZINC001363940871 1153733190 /nfs/dbraw/zinc/73/31/90/1153733190.db2.gz QESYYVQTVCYIJA-SJXGUFTOSA-N 1 3 323.481 2.172 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001403090091 1162702239 /nfs/dbraw/zinc/70/22/39/1162702239.db2.gz VHHFNWOTPYJOES-BBRMVZONSA-N 1 3 309.429 2.069 20 0 DEADHO CCc1cccc(C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001390394458 1155698165 /nfs/dbraw/zinc/69/81/65/1155698165.db2.gz HPDUKULBJPIJAO-QAPCUYQASA-N 1 3 319.493 2.430 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCc1ccsc1 ZINC001390439052 1155715895 /nfs/dbraw/zinc/71/58/95/1155715895.db2.gz VPJZEGNNZXUOEB-HOCLYGCPSA-N 1 3 323.506 2.463 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCc1ccsc1 ZINC001390439052 1155715908 /nfs/dbraw/zinc/71/59/08/1155715908.db2.gz VPJZEGNNZXUOEB-HOCLYGCPSA-N 1 3 323.506 2.463 20 0 DEADHO CC(C)CC[N@H+](C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001390821628 1155882915 /nfs/dbraw/zinc/88/29/15/1155882915.db2.gz YBGZVJGXGYLKFA-KRWDZBQOSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)CC[N@@H+](C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001390821628 1155882918 /nfs/dbraw/zinc/88/29/18/1155882918.db2.gz YBGZVJGXGYLKFA-KRWDZBQOSA-N 1 3 315.477 2.293 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2nccs2)C1 ZINC001371656314 1155896218 /nfs/dbraw/zinc/89/62/18/1155896218.db2.gz CYXYFMYXBKDPLP-KGLIPLIRSA-N 1 3 324.494 2.002 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](CC)Cc1ccc(F)cc1C)N(C)C ZINC001391004616 1156043362 /nfs/dbraw/zinc/04/33/62/1156043362.db2.gz GZHWJSCNUCMDQL-KRWDZBQOSA-N 1 3 323.456 2.412 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](CC)Cc1ccc(F)cc1C)N(C)C ZINC001391004616 1156043369 /nfs/dbraw/zinc/04/33/69/1156043369.db2.gz GZHWJSCNUCMDQL-KRWDZBQOSA-N 1 3 323.456 2.412 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cncs1 ZINC001371888394 1156054800 /nfs/dbraw/zinc/05/48/00/1156054800.db2.gz NPLNZBIJNHJLSY-UKRRQHHQSA-N 1 3 324.494 2.002 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)CCCC1CCC1 ZINC001403122583 1162754522 /nfs/dbraw/zinc/75/45/22/1162754522.db2.gz ATPSATNPLXAZCU-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)CCCC1CCC1 ZINC001403122583 1162754530 /nfs/dbraw/zinc/75/45/30/1162754530.db2.gz ATPSATNPLXAZCU-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)[C@@H]1CCN(CC)C1 ZINC001391275211 1156306195 /nfs/dbraw/zinc/30/61/95/1156306195.db2.gz OIYUWPILRLWQCG-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)[C@@H]1CCN(CC)C1 ZINC001391275211 1156306199 /nfs/dbraw/zinc/30/61/99/1156306199.db2.gz OIYUWPILRLWQCG-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO Cc1cccc(CN2CC[C@@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001391583589 1156562555 /nfs/dbraw/zinc/56/25/55/1156562555.db2.gz KFHXEBKKQVLPRO-QGZVFWFLSA-N 1 3 303.450 2.027 20 0 DEADHO Cc1ccc(CC[N@@H+](C)[C@@H](C)CNC(=O)CN(C)C(C)C)cc1 ZINC001403214828 1162821452 /nfs/dbraw/zinc/82/14/52/1162821452.db2.gz AFFYVOFBZUPSFV-KRWDZBQOSA-N 1 3 319.493 2.314 20 0 DEADHO Cc1ccc(CC[N@H+](C)[C@@H](C)CNC(=O)CN(C)C(C)C)cc1 ZINC001403214828 1162821453 /nfs/dbraw/zinc/82/14/53/1162821453.db2.gz AFFYVOFBZUPSFV-KRWDZBQOSA-N 1 3 319.493 2.314 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]C/C=C/Cl ZINC001392161410 1156879293 /nfs/dbraw/zinc/87/92/93/1156879293.db2.gz FYCJDKOJYVXOQH-DJRXTCLHSA-N 1 3 313.873 2.050 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]C/C=C\Cl ZINC001392161401 1156879466 /nfs/dbraw/zinc/87/94/66/1156879466.db2.gz FYCJDKOJYVXOQH-BPELZBTASA-N 1 3 313.873 2.050 20 0 DEADHO CN(C)C1(C(=O)N2CCC(CC[N@H+](C)CC3CC3)CC2)CCC1 ZINC001392195656 1156887589 /nfs/dbraw/zinc/88/75/89/1156887589.db2.gz NEJRVJCQSMPYHU-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C)C1(C(=O)N2CCC(CC[N@@H+](C)CC3CC3)CC2)CCC1 ZINC001392195656 1156887590 /nfs/dbraw/zinc/88/75/90/1156887590.db2.gz NEJRVJCQSMPYHU-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001403213127 1162820417 /nfs/dbraw/zinc/82/04/17/1162820417.db2.gz AASCVHRXRMTOJK-INIZCTEOSA-N 1 3 323.868 2.372 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCCc2ccccc21)N(C)C ZINC001392486415 1157069795 /nfs/dbraw/zinc/06/97/95/1157069795.db2.gz COQQDGSGWJENID-FHLIZLRMSA-N 1 3 317.477 2.499 20 0 DEADHO C[C@@H](C[NH2+]Cc1ccc(F)cc1)NC(=O)CN(C)CC(C)(C)C ZINC001392595332 1157187241 /nfs/dbraw/zinc/18/72/41/1157187241.db2.gz WRPPHXNMCXNRTE-AWEZNQCLSA-N 1 3 323.456 2.398 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+]C[C@H](C)NC(=O)CN(C)C(C)C ZINC001392621073 1157225069 /nfs/dbraw/zinc/22/50/69/1157225069.db2.gz ZGHVPHGNDXWHFG-HOTGVXAUSA-N 1 3 305.466 2.491 20 0 DEADHO CCN(C(=O)CC[NH+](C)C)[C@H]1CCN(Cc2csc(C)c2)C1 ZINC001373707659 1157299795 /nfs/dbraw/zinc/29/97/95/1157299795.db2.gz IUJQJVFVEDQHFA-INIZCTEOSA-N 1 3 323.506 2.431 20 0 DEADHO C[C@@H](CN(C)Cc1cccc(F)c1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001392724509 1157372053 /nfs/dbraw/zinc/37/20/53/1157372053.db2.gz OPPOJYAEJITDJU-GOEBONIOSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@@H](CN(C)Cc1cccc(F)c1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001392724509 1157372064 /nfs/dbraw/zinc/37/20/64/1157372064.db2.gz OPPOJYAEJITDJU-GOEBONIOSA-N 1 3 321.440 2.104 20 0 DEADHO CC[C@@H](F)C[NH+]1CCC(CCNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001373945688 1157490103 /nfs/dbraw/zinc/49/01/03/1157490103.db2.gz JURBOUQMLGOIEP-HZPDHXFCSA-N 1 3 315.477 2.293 20 0 DEADHO CC[N@H+](C)CCC(=O)NCC1(NCc2ccc(C)c(F)c2)CC1 ZINC001392954601 1157565347 /nfs/dbraw/zinc/56/53/47/1157565347.db2.gz NFNBNZHWGVYORT-UHFFFAOYSA-N 1 3 321.440 2.214 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCC1(NCc2ccc(C)c(F)c2)CC1 ZINC001392954601 1157565353 /nfs/dbraw/zinc/56/53/53/1157565353.db2.gz NFNBNZHWGVYORT-UHFFFAOYSA-N 1 3 321.440 2.214 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1F)N(C)C ZINC001374083992 1157609577 /nfs/dbraw/zinc/60/95/77/1157609577.db2.gz PBNBKJSMSSQFPB-XJKSGUPXSA-N 1 3 309.429 2.008 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001374771628 1158015873 /nfs/dbraw/zinc/01/58/73/1158015873.db2.gz ONZBAEPUEVGOBH-OAHLLOKOSA-N 1 3 303.450 2.074 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCc2ccccc21)N(C)C ZINC001374813345 1158039047 /nfs/dbraw/zinc/03/90/47/1158039047.db2.gz GDIBCGNFBZLOEZ-XYPHTWIQSA-N 1 3 303.450 2.108 20 0 DEADHO CN(C(=O)Cc1c[nH]cn1)[C@@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001403513755 1162922984 /nfs/dbraw/zinc/92/29/84/1162922984.db2.gz RHDJGKVOEJZNNJ-INIZCTEOSA-N 1 3 318.465 2.215 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCc1ccccc1F ZINC001394004239 1158153798 /nfs/dbraw/zinc/15/37/98/1158153798.db2.gz PLEYKPWMZPONRI-CABCVRRESA-N 1 3 323.456 2.191 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)CCc1ccc(C)cc1)N(C)C ZINC001375132697 1158341027 /nfs/dbraw/zinc/34/10/27/1158341027.db2.gz AXOLHZPKFKEWDZ-AEFFLSMTSA-N 1 3 319.493 2.314 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CCc1ccc(C)cc1)N(C)C ZINC001375132697 1158341036 /nfs/dbraw/zinc/34/10/36/1158341036.db2.gz AXOLHZPKFKEWDZ-AEFFLSMTSA-N 1 3 319.493 2.314 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@H]1CCN1[C@H]1CCCc2ccccc21 ZINC001375341098 1158513168 /nfs/dbraw/zinc/51/31/68/1158513168.db2.gz OPQDHRYXBBZGDP-AEFFLSMTSA-N 1 3 315.461 2.206 20 0 DEADHO C[NH+](C)Cc1ccc(C(=O)NCC2(NC/C=C\Cl)CC2)cc1 ZINC001375505579 1158780951 /nfs/dbraw/zinc/78/09/51/1158780951.db2.gz RGAAZETYXZKBLT-KMKOMSMNSA-N 1 3 321.852 2.353 20 0 DEADHO CCC(CC)C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001375518601 1158800089 /nfs/dbraw/zinc/80/00/89/1158800089.db2.gz KKMPCTRUXACSRG-GASCZTMLSA-N 1 3 306.454 2.181 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+]Cc2cccc(Cl)c2)CC1 ZINC001375550549 1158810225 /nfs/dbraw/zinc/81/02/25/1158810225.db2.gz AXUSNTZFNYLUIJ-UHFFFAOYSA-N 1 3 323.868 2.419 20 0 DEADHO CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001375987210 1159036784 /nfs/dbraw/zinc/03/67/84/1159036784.db2.gz GPIRNHQAABOTEJ-KBPBESRZSA-N 1 3 319.440 2.200 20 0 DEADHO CCCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001375987210 1159036791 /nfs/dbraw/zinc/03/67/91/1159036791.db2.gz GPIRNHQAABOTEJ-KBPBESRZSA-N 1 3 319.440 2.200 20 0 DEADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NCc1ccccc1Cl ZINC001403627205 1163059683 /nfs/dbraw/zinc/05/96/83/1163059683.db2.gz IVWISRVENFOMSK-ZFWWWQNUSA-N 1 3 323.868 2.228 20 0 DEADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NCc1ccccc1Cl ZINC001403627205 1163059691 /nfs/dbraw/zinc/05/96/91/1163059691.db2.gz IVWISRVENFOMSK-ZFWWWQNUSA-N 1 3 323.868 2.228 20 0 DEADHO C[C@H](CNC(=O)CCC[NH+]1CCCCC1)NCc1cncs1 ZINC001376874360 1159829453 /nfs/dbraw/zinc/82/94/53/1159829453.db2.gz YDONKDGCGXQOBX-CQSZACIVSA-N 1 3 324.494 2.004 20 0 DEADHO CN(CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC2CC2)C1)CC(C)(C)C ZINC001376986042 1159865457 /nfs/dbraw/zinc/86/54/57/1159865457.db2.gz QFRFDTLSBWHHFW-HZPDHXFCSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1cccc(CN(C)CCNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001377207200 1160033926 /nfs/dbraw/zinc/03/39/26/1160033926.db2.gz SZHOYQANDSZIJE-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC001377467582 1160395598 /nfs/dbraw/zinc/39/55/98/1160395598.db2.gz KKPBIFYSFAEBTG-SFHVURJKSA-N 1 3 317.477 2.275 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC001377467582 1160395603 /nfs/dbraw/zinc/39/56/03/1160395603.db2.gz KKPBIFYSFAEBTG-SFHVURJKSA-N 1 3 317.477 2.275 20 0 DEADHO Cc1cc(C[NH2+][C@H]2C[C@H](CNC(=O)CN(C)C(C)C)C2)cs1 ZINC001397684608 1160398596 /nfs/dbraw/zinc/39/85/96/1160398596.db2.gz XNGFPUGPCBRLIJ-KOMQPUFPSA-N 1 3 323.506 2.381 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC2CCCCC2)C[C@H]1C ZINC001403739007 1163125399 /nfs/dbraw/zinc/12/53/99/1163125399.db2.gz BTXGSPFYCVWFKL-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC12CC[NH+](CC[C@@H](C)F)CC2 ZINC001398359610 1160865051 /nfs/dbraw/zinc/86/50/51/1160865051.db2.gz IDRBITVDNVPHHV-HUUCEWRRSA-N 1 3 313.461 2.045 20 0 DEADHO CC[C@H](F)C[NH2+]C1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC001377921586 1160872222 /nfs/dbraw/zinc/87/22/22/1160872222.db2.gz FQCNGPZRWDJZTN-OPFPJEHXSA-N 1 3 310.417 2.060 20 0 DEADHO CC(C)(C(=O)NC[C@@H]([NH2+]CCC1CC1)C1CC1)N1CCCC1 ZINC001398441696 1160891237 /nfs/dbraw/zinc/89/12/37/1160891237.db2.gz WZWJKOAWHBXVPF-MRXNPFEDSA-N 1 3 307.482 2.145 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)C/C=C/c1ccccc1)N(C)C ZINC001378129659 1161040071 /nfs/dbraw/zinc/04/00/71/1161040071.db2.gz KFNXFTDMSBEIGU-BSECCWRJSA-N 1 3 317.477 2.477 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)C/C=C/c1ccccc1)N(C)C ZINC001378129659 1161040085 /nfs/dbraw/zinc/04/00/85/1161040085.db2.gz KFNXFTDMSBEIGU-BSECCWRJSA-N 1 3 317.477 2.477 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001398662233 1161040301 /nfs/dbraw/zinc/04/03/01/1161040301.db2.gz GBBREFSGOFTNAH-LPWJVIDDSA-N 1 3 321.387 2.048 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2csc(C)c2)C1 ZINC001399250798 1161302999 /nfs/dbraw/zinc/30/29/99/1161302999.db2.gz PZAYLKDQRXBSLY-OAHLLOKOSA-N 1 3 323.506 2.336 20 0 DEADHO C[C@@H](F)CC[N@H+](C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001399277819 1161316421 /nfs/dbraw/zinc/31/64/21/1161316421.db2.gz BBPJGTJDFYGWFA-HUUCEWRRSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@@H](F)CC[N@@H+](C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001399277819 1161316426 /nfs/dbraw/zinc/31/64/26/1161316426.db2.gz BBPJGTJDFYGWFA-HUUCEWRRSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@H](CCNC(=O)c1cccc(CN(C)C)c1)[NH2+]CC1CC1 ZINC001399427203 1161388171 /nfs/dbraw/zinc/38/81/71/1161388171.db2.gz AAECPOPBYLFUCQ-CQSZACIVSA-N 1 3 303.450 2.256 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+]Cc1ccccc1 ZINC001401126131 1161878720 /nfs/dbraw/zinc/87/87/20/1161878720.db2.gz VQGQQJFIWHFQDO-MRXNPFEDSA-N 1 3 317.477 2.403 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+]C/C=C/Cl)CCCC1 ZINC001401191207 1161890198 /nfs/dbraw/zinc/89/01/98/1161890198.db2.gz PQRUIXDWFQGKOE-RMKNXTFCSA-N 1 3 301.862 2.098 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001401200614 1161892809 /nfs/dbraw/zinc/89/28/09/1161892809.db2.gz JMIYZMUPXHNITK-YOEHRIQHSA-N 1 3 321.440 2.165 20 0 DEADHO C[C@@H](C[NH2+]CC1CC2(CCC2)C1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001401249226 1161904551 /nfs/dbraw/zinc/90/45/51/1161904551.db2.gz ZLYSGLOZPITUOF-HOTGVXAUSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]CC1CC(F)(F)C1)C(C)C)N(C)C ZINC001401344217 1161940258 /nfs/dbraw/zinc/94/02/58/1161940258.db2.gz OXNOPIPNCTXPNQ-KGLIPLIRSA-N 1 3 319.440 2.102 20 0 DEADHO C[C@H](CNCc1ccccc1Cl)NC(=O)C1CC[NH+](C)CC1 ZINC001401640288 1162055114 /nfs/dbraw/zinc/05/51/14/1162055114.db2.gz QOSFZFPFVVPXPV-CYBMUJFWSA-N 1 3 323.868 2.276 20 0 DEADHO C[C@H](CNCc1cncs1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001401650914 1162060272 /nfs/dbraw/zinc/06/02/72/1162060272.db2.gz IXEXPNOOHVLTLD-KGLIPLIRSA-N 1 3 324.494 2.002 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCc1ccccc1)N(C)C ZINC001401747467 1162106394 /nfs/dbraw/zinc/10/63/94/1162106394.db2.gz BWVPKZXNSNSNEE-WMZOPIPTSA-N 1 3 319.493 2.252 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCc1ccccc1)N(C)C ZINC001401747467 1162106396 /nfs/dbraw/zinc/10/63/96/1162106396.db2.gz BWVPKZXNSNSNEE-WMZOPIPTSA-N 1 3 319.493 2.252 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(Cl)cc2)CC1)N(C)C ZINC001401977758 1162205272 /nfs/dbraw/zinc/20/52/72/1162205272.db2.gz UNHXFJCLSVHXEW-HNNXBMFYSA-N 1 3 323.868 2.419 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001402107276 1162248858 /nfs/dbraw/zinc/24/88/58/1162248858.db2.gz KFRCFGGVRYGZGF-GOSISDBHSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@]2(CC[N@H+](C(C)C)C2)C1 ZINC001402107276 1162248860 /nfs/dbraw/zinc/24/88/60/1162248860.db2.gz KFRCFGGVRYGZGF-GOSISDBHSA-N 1 3 309.498 2.440 20 0 DEADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]CCc2cccs2)C1 ZINC001404016822 1163377509 /nfs/dbraw/zinc/37/75/09/1163377509.db2.gz LGPNNMQNZUXLJM-UHFFFAOYSA-N 1 3 323.506 2.211 20 0 DEADHO CC[C@H](C(=O)NCC1C[NH+]([C@H](C)c2cccc(C)c2)C1)N(C)C ZINC001404879887 1163845253 /nfs/dbraw/zinc/84/52/53/1163845253.db2.gz BUDZGVNLRDKYLQ-CRAIPNDOSA-N 1 3 317.477 2.444 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[N@H+](C)CCc1cccs1)N(C)C ZINC001406153603 1164480627 /nfs/dbraw/zinc/48/06/27/1164480627.db2.gz KUPSELIQAGTUKH-HNNXBMFYSA-N 1 3 311.495 2.021 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)CCc1cccs1)N(C)C ZINC001406153603 1164480629 /nfs/dbraw/zinc/48/06/29/1164480629.db2.gz KUPSELIQAGTUKH-HNNXBMFYSA-N 1 3 311.495 2.021 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CC[C@@H]2[C@@H](CCN2C/C=C/Cl)C1 ZINC001406186372 1164499078 /nfs/dbraw/zinc/49/90/78/1164499078.db2.gz NWMGXIIQCVULPQ-VSWCJUERSA-N 1 3 313.873 2.004 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC(C)C ZINC001406721730 1164807806 /nfs/dbraw/zinc/80/78/06/1164807806.db2.gz SYEOWWWSKRVKNZ-CABCVRRESA-N 1 3 306.454 2.181 20 0 DEADHO Cc1cc(CN(C)CCCN(C)C(=O)CC[NH+](C)C)cs1 ZINC001407913732 1165386247 /nfs/dbraw/zinc/38/62/47/1165386247.db2.gz APCYIFLMBJQDMZ-UHFFFAOYSA-N 1 3 311.495 2.289 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]Cc2ccsc2)[C@@H](C)C1 ZINC001408080515 1165467287 /nfs/dbraw/zinc/46/72/87/1165467287.db2.gz CJCJRDPALAFRDN-ZFWWWQNUSA-N 1 3 309.479 2.025 20 0 DEADHO C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC001414744037 1165972412 /nfs/dbraw/zinc/97/24/12/1165972412.db2.gz PTIJYHNSDQNRNB-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H]1CCC[N@H+]1CCNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC001414744037 1165972420 /nfs/dbraw/zinc/97/24/20/1165972420.db2.gz PTIJYHNSDQNRNB-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)C[C@@H]2CC[N@@H+]2CCC2CCCC2)C1 ZINC001417759090 1167192047 /nfs/dbraw/zinc/19/20/47/1167192047.db2.gz QMAFXMJJHMKFKA-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)C[C@@H]2CC[N@H+]2CCC2CCCC2)C1 ZINC001417759090 1167192051 /nfs/dbraw/zinc/19/20/51/1167192051.db2.gz QMAFXMJJHMKFKA-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001417814344 1167231481 /nfs/dbraw/zinc/23/14/81/1167231481.db2.gz VQKDCWJAXRYANE-ZWKOTPCHSA-N 1 3 317.477 2.401 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)CCC[NH+](C)C)C2)cc1C ZINC001417942958 1167318375 /nfs/dbraw/zinc/31/83/75/1167318375.db2.gz GCMAEKMTHMKIQR-SFHVURJKSA-N 1 3 317.477 2.336 20 0 DEADHO CCCN(C(=O)CN1CC[C@@H](C)C1)C1CC[NH+](C(C)C)CC1 ZINC001417958548 1167328235 /nfs/dbraw/zinc/32/82/35/1167328235.db2.gz JJZBVILBWBQWRB-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H](C(=O)NC[C@H]([NH2+]CC1CC1)C1CC1)N1CCCCCC1 ZINC001417999691 1167354590 /nfs/dbraw/zinc/35/45/90/1167354590.db2.gz PWOOFXQUTFGBPS-YOEHRIQHSA-N 1 3 307.482 2.145 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001418074466 1167396762 /nfs/dbraw/zinc/39/67/62/1167396762.db2.gz KLORMDCJXDMOHP-IYINBOPBSA-N 1 3 324.428 2.211 20 0 DEADHO C[NH+](C)CCC(=O)N1CCC[C@H](CNC/C(Cl)=C\Cl)C1 ZINC001418134469 1167432953 /nfs/dbraw/zinc/43/29/53/1167432953.db2.gz ASFQDIUAXANYDM-FMNNIJNLSA-N 1 3 322.280 2.085 20 0 DEADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@H](C)c1ccccc1F ZINC001418300178 1167561175 /nfs/dbraw/zinc/56/11/75/1167561175.db2.gz IZJFHIODRDRDGK-ZIAGYGMSSA-N 1 3 319.424 2.077 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@H]1CC[N@H+](CCC2CC2)C1)N(C)C ZINC001418890316 1168044353 /nfs/dbraw/zinc/04/43/53/1168044353.db2.gz LQZCLNWZDNQKCV-IRXDYDNUSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H](C(=O)NCC1C[NH+](CC2CC(C)C2)C1)N1CCCCCC1 ZINC001419031496 1168146200 /nfs/dbraw/zinc/14/62/00/1168146200.db2.gz NGQVRFWSHZNSNW-CGZBRXJRSA-N 1 3 321.509 2.345 20 0 DEADHO CC[N@H+](C)CCC(=O)NCC1CN(Cc2cc(C)cc(C)c2)C1 ZINC001419041580 1168153039 /nfs/dbraw/zinc/15/30/39/1168153039.db2.gz VOUXWMPAHGAWFL-UHFFFAOYSA-N 1 3 317.477 2.193 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCC1CN(Cc2cc(C)cc(C)c2)C1 ZINC001419041580 1168153043 /nfs/dbraw/zinc/15/30/43/1168153043.db2.gz VOUXWMPAHGAWFL-UHFFFAOYSA-N 1 3 317.477 2.193 20 0 DEADHO CCCN(C)CC(=O)NCC1C[NH+](CC2CCC3(CC3)CC2)C1 ZINC001419043333 1168153976 /nfs/dbraw/zinc/15/39/76/1168153976.db2.gz RPPHNWGTZVCFOT-UHFFFAOYSA-N 1 3 321.509 2.347 20 0 DEADHO CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]CCC(F)(F)F ZINC001419238485 1168336911 /nfs/dbraw/zinc/33/69/11/1168336911.db2.gz IYTWKNHOXWLEEH-NWDGAFQWSA-N 1 3 311.392 2.009 20 0 DEADHO CN(C)C1(C(=O)NC[C@@H]2CCC[N@H+](CC3CCCC3)C2)CCC1 ZINC001419560644 1168597324 /nfs/dbraw/zinc/59/73/24/1168597324.db2.gz RSZCVNRRUDVKHP-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CN(C)C1(C(=O)NC[C@@H]2CCC[N@@H+](CC3CCCC3)C2)CCC1 ZINC001419560644 1168597339 /nfs/dbraw/zinc/59/73/39/1168597339.db2.gz RSZCVNRRUDVKHP-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO Cc1cc(C)cc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001419643501 1168736106 /nfs/dbraw/zinc/73/61/06/1168736106.db2.gz BXPGPWNATILGTL-AEFFLSMTSA-N 1 3 317.477 2.334 20 0 DEADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CC1CC(C)(C)C1 ZINC001419842788 1168870176 /nfs/dbraw/zinc/87/01/76/1168870176.db2.gz CYLMAGBFFBSABL-CQSZACIVSA-N 1 3 311.514 2.495 20 0 DEADHO C[C@H](CNC(=O)CC[NH+](C)C)NCc1ccc(Cl)c(F)c1 ZINC001419849561 1168872719 /nfs/dbraw/zinc/87/27/19/1168872719.db2.gz YIOAVVIJDKQSJS-LLVKDONJSA-N 1 3 315.820 2.025 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001420010785 1169060160 /nfs/dbraw/zinc/06/01/60/1169060160.db2.gz CADWPEPRERQQGN-QLNSKBQOSA-N 1 3 301.862 2.098 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCc2ccccc2F)CC[N@@H+]1C ZINC001420291093 1169327774 /nfs/dbraw/zinc/32/77/74/1169327774.db2.gz LIALIHDXYRGZJZ-UKPHBRMFSA-N 1 3 321.440 2.150 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCc2ccccc2F)CC[N@H+]1C ZINC001420291093 1169327780 /nfs/dbraw/zinc/32/77/80/1169327780.db2.gz LIALIHDXYRGZJZ-UKPHBRMFSA-N 1 3 321.440 2.150 20 0 DEADHO CCCN(C)CC(=O)NCC[N@H+](C)Cc1c(C)cccc1C ZINC001420344885 1169381907 /nfs/dbraw/zinc/38/19/07/1169381907.db2.gz YWTOCGIREJJATI-UHFFFAOYSA-N 1 3 305.466 2.193 20 0 DEADHO CCCN(C)CC(=O)NCC[N@@H+](C)Cc1c(C)cccc1C ZINC001420344885 1169381917 /nfs/dbraw/zinc/38/19/17/1169381917.db2.gz YWTOCGIREJJATI-UHFFFAOYSA-N 1 3 305.466 2.193 20 0 DEADHO CCCN(C)CC(=O)NCC[N@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC001420345016 1169384149 /nfs/dbraw/zinc/38/41/49/1169384149.db2.gz ZQZDTIRRTQAQSM-AWEZNQCLSA-N 1 3 319.440 2.202 20 0 DEADHO CCCN(C)CC(=O)NCC[N@@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC001420345016 1169384160 /nfs/dbraw/zinc/38/41/60/1169384160.db2.gz ZQZDTIRRTQAQSM-AWEZNQCLSA-N 1 3 319.440 2.202 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@@H]1CCN(Cc2cccc(Cl)c2)C1 ZINC001420536995 1169744088 /nfs/dbraw/zinc/74/40/88/1169744088.db2.gz LRDNYZZOSCZQRH-HNNXBMFYSA-N 1 3 323.868 2.230 20 0 DEADHO C[C@@H](C[N@H+](C)CCC1CCCC1)NC(=O)C1(N(C)C)CCC1 ZINC001420584923 1169812125 /nfs/dbraw/zinc/81/21/25/1169812125.db2.gz LJUANJIIHXZXLY-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](C[N@@H+](C)CCC1CCCC1)NC(=O)C1(N(C)C)CCC1 ZINC001420584923 1169812126 /nfs/dbraw/zinc/81/21/26/1169812126.db2.gz LJUANJIIHXZXLY-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@H+](Cc2ccsc2)C1)N(C)C ZINC001420864384 1171296099 /nfs/dbraw/zinc/29/60/99/1171296099.db2.gz ARCGCQFQGNUBPM-ZBFHGGJFSA-N 1 3 323.506 2.417 20 0 DEADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](Cc2ccsc2)C1)N(C)C ZINC001420864384 1171296105 /nfs/dbraw/zinc/29/61/05/1171296105.db2.gz ARCGCQFQGNUBPM-ZBFHGGJFSA-N 1 3 323.506 2.417 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+][C@H]2CCc3ccccc32)CC1 ZINC001421007681 1171424447 /nfs/dbraw/zinc/42/44/47/1171424447.db2.gz YFQFGCGOTWFCHK-KRWDZBQOSA-N 1 3 315.461 2.253 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC2(C1)CC[NH+](CC1CCC1)CC2 ZINC001421043827 1171449760 /nfs/dbraw/zinc/44/97/60/1171449760.db2.gz ZHYQHYABLGWUKV-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC1CC(C[NH2+]C[C@]2(C)CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001421242442 1171630088 /nfs/dbraw/zinc/63/00/88/1171630088.db2.gz XVXOOVVFVYCZPN-RJYAGPCLSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCc1ccccc1F ZINC001421466432 1171811563 /nfs/dbraw/zinc/81/15/63/1171811563.db2.gz CRUUEQTVFULOBQ-GDBMZVCRSA-N 1 3 321.440 2.152 20 0 DEADHO CC[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCc1ccccc1F ZINC001421466432 1171811564 /nfs/dbraw/zinc/81/15/64/1171811564.db2.gz CRUUEQTVFULOBQ-GDBMZVCRSA-N 1 3 321.440 2.152 20 0 DEADHO CC(C)CC[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001421591508 1171860811 /nfs/dbraw/zinc/86/08/11/1171860811.db2.gz DMXAYWISCMDGJX-ULQDDVLXSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)N1CCN(C2CC[NH+](C[C@H]3CCCC[C@H]3O)CC2)CC1 ZINC001421651898 1171883754 /nfs/dbraw/zinc/88/37/54/1171883754.db2.gz DYFUFWMRVKBXKE-IEBWSBKVSA-N 1 3 323.525 2.028 20 0 DEADHO CCCCN1Cc2ccccc2C[C@H]1CNC(=O)CC[NH+](C)C ZINC001421956182 1172181258 /nfs/dbraw/zinc/18/12/58/1172181258.db2.gz XGQRCWPSAIPGFV-SFHVURJKSA-N 1 3 317.477 2.281 20 0 DEADHO C[NH+](C)CCC(=O)N[C@H]1CCN(Cc2ccsc2)CC1(C)C ZINC001422085017 1172290831 /nfs/dbraw/zinc/29/08/31/1172290831.db2.gz ALMIEAPZSBZTDQ-HNNXBMFYSA-N 1 3 323.506 2.417 20 0 DEADHO C[NH+](C)CCC(=O)N[C@@H]1CCN(Cc2ccsc2)CC1(C)C ZINC001422085022 1172291005 /nfs/dbraw/zinc/29/10/05/1172291005.db2.gz ALMIEAPZSBZTDQ-OAHLLOKOSA-N 1 3 323.506 2.417 20 0 DEADHO CCc1ccc(C[N@@H+](C)CCN(C)C(=O)[C@H](CC)N(C)C)cc1 ZINC001422199925 1172388469 /nfs/dbraw/zinc/38/84/69/1172388469.db2.gz LILSVNFUHMEZOY-SFHVURJKSA-N 1 3 319.493 2.479 20 0 DEADHO CCc1ccc(C[N@H+](C)CCN(C)C(=O)[C@H](CC)N(C)C)cc1 ZINC001422199925 1172388480 /nfs/dbraw/zinc/38/84/80/1172388480.db2.gz LILSVNFUHMEZOY-SFHVURJKSA-N 1 3 319.493 2.479 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)CCc1ccccc1 ZINC001422533763 1172681862 /nfs/dbraw/zinc/68/18/62/1172681862.db2.gz UNINSWSXIYUUIW-MRXNPFEDSA-N 1 3 317.477 2.150 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)CCc1ccccc1 ZINC001422533763 1172681866 /nfs/dbraw/zinc/68/18/66/1172681866.db2.gz UNINSWSXIYUUIW-MRXNPFEDSA-N 1 3 317.477 2.150 20 0 DEADHO C[C@@H](C[NH2+][C@@H](C)c1cccc(F)c1)NC(=O)CN(C)C1CCC1 ZINC001422660529 1172797076 /nfs/dbraw/zinc/79/70/76/1172797076.db2.gz NBCKOIBQJSLSIM-KBPBESRZSA-N 1 3 321.440 2.465 20 0 DEADHO C[C@@H](CNCc1ccccc1Cl)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001422696993 1172815085 /nfs/dbraw/zinc/81/50/85/1172815085.db2.gz OQPAGQFBMWCVDQ-KGLIPLIRSA-N 1 3 323.868 2.276 20 0 DEADHO C[C@@H](CNCc1ccccc1Cl)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001422696993 1172815088 /nfs/dbraw/zinc/81/50/88/1172815088.db2.gz OQPAGQFBMWCVDQ-KGLIPLIRSA-N 1 3 323.868 2.276 20 0 DEADHO CN1C[C@@H]2CC[C@@H]([NH2+]C3CCN(C(=O)CC(C)(C)C)CC3)[C@H]2C1 ZINC001422971232 1172986039 /nfs/dbraw/zinc/98/60/39/1172986039.db2.gz MHLCDCSFUWAOPC-BHYGNILZSA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1[NH2+]CCF ZINC001423067683 1173054081 /nfs/dbraw/zinc/05/40/81/1173054081.db2.gz QULFJTYBAGJRFP-GJZGRUSLSA-N 1 3 315.477 2.151 20 0 DEADHO CCCN(C)CC(=O)N1CCC([NH+](CC2CC2)CC2CC2)CC1 ZINC001423335467 1173258810 /nfs/dbraw/zinc/25/88/10/1173258810.db2.gz BVPQJHFPFQULTP-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1(C)CC[NH+](CCC2CC2)CC1 ZINC001423671024 1173480051 /nfs/dbraw/zinc/48/00/51/1173480051.db2.gz YMVJCOHVMGZPSJ-UHFFFAOYSA-N 1 3 318.465 2.279 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccccc2F)C1 ZINC001424476486 1173802953 /nfs/dbraw/zinc/80/29/53/1173802953.db2.gz CYTJFWDAXRCNHD-WMLDXEAASA-N 1 3 321.440 2.102 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C)c(F)c1 ZINC001424853523 1173990250 /nfs/dbraw/zinc/99/02/50/1173990250.db2.gz UXPZBODCYRAMAP-HUUCEWRRSA-N 1 3 323.456 2.459 20 0 DEADHO CC[C@H](C(=O)NCc1ccc(C[NH2+]C(C)C)cc1F)N(C)C ZINC001426252518 1174669716 /nfs/dbraw/zinc/66/97/16/1174669716.db2.gz JCRBKFYFOGIXPP-MRXNPFEDSA-N 1 3 309.429 2.280 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)CCN1CCCCC1)[NH+]1CCCCC1 ZINC001434150025 1178288065 /nfs/dbraw/zinc/28/80/65/1178288065.db2.gz PVLOGASLNFAPAF-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@H]1C[C@@H](C[NH2+]C2CCC(C)(N3CCOCC3)CC2)[C@H](C)O1 ZINC001434533346 1178795284 /nfs/dbraw/zinc/79/52/84/1178795284.db2.gz PRMKWXFDDARVDQ-ZJORFUSXSA-N 1 3 310.482 2.423 20 0 DEADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](F)CC ZINC001436934704 1179308510 /nfs/dbraw/zinc/30/85/10/1179308510.db2.gz FJDDDXRSGABGEB-WZYMTQMTSA-N 1 3 313.461 2.188 20 0 DEADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](F)CC ZINC001436934704 1179308512 /nfs/dbraw/zinc/30/85/12/1179308512.db2.gz FJDDDXRSGABGEB-WZYMTQMTSA-N 1 3 313.461 2.188 20 0 DEADHO Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)CN(C)C(C)C)C2)cs1 ZINC001436976533 1179325776 /nfs/dbraw/zinc/32/57/76/1179325776.db2.gz JASHBIJGVDFIIM-GASCZTMLSA-N 1 3 309.479 2.134 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCc1ccccc1 ZINC001437148195 1179485214 /nfs/dbraw/zinc/48/52/14/1179485214.db2.gz MNXMIQDDNOTWCX-FUHWJXTLSA-N 1 3 317.477 2.198 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001437248124 1179652324 /nfs/dbraw/zinc/65/23/24/1179652324.db2.gz NMWNLKBXXFMYSN-MRXNPFEDSA-N 1 3 305.466 2.240 20 0 DEADHO Cc1ccccc1[C@@H](C)[N@H+](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001437517293 1179832377 /nfs/dbraw/zinc/83/23/77/1179832377.db2.gz OHLVFSQLWMPBES-NVXWUHKLSA-N 1 3 317.477 2.446 20 0 DEADHO Cc1ccccc1[C@@H](C)[N@@H+](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001437517293 1179832378 /nfs/dbraw/zinc/83/23/78/1179832378.db2.gz OHLVFSQLWMPBES-NVXWUHKLSA-N 1 3 317.477 2.446 20 0 DEADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)Cc1ccccc1 ZINC001437616481 1179863664 /nfs/dbraw/zinc/86/36/64/1179863664.db2.gz KUOKOJXIOCQQFB-WMZOPIPTSA-N 1 3 317.477 2.355 20 0 DEADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)Cc1ccccc1 ZINC001437616481 1179863669 /nfs/dbraw/zinc/86/36/69/1179863669.db2.gz KUOKOJXIOCQQFB-WMZOPIPTSA-N 1 3 317.477 2.355 20 0 DEADHO CC[C@H](C)C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001437729080 1179910809 /nfs/dbraw/zinc/91/08/09/1179910809.db2.gz RSZRUBHOKMDZSY-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C)C[N@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001437729080 1179910821 /nfs/dbraw/zinc/91/08/21/1179910821.db2.gz RSZRUBHOKMDZSY-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](Cc1ccccc1C)C1CC1)N(C)C ZINC001437790304 1179992766 /nfs/dbraw/zinc/99/27/66/1179992766.db2.gz FVUAGZHARPWVQV-GOSISDBHSA-N 1 3 317.477 2.416 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](Cc1ccccc1C)C1CC1)N(C)C ZINC001437790304 1179992771 /nfs/dbraw/zinc/99/27/71/1179992771.db2.gz FVUAGZHARPWVQV-GOSISDBHSA-N 1 3 317.477 2.416 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CCC2CCCC2)C1 ZINC001437973915 1180117977 /nfs/dbraw/zinc/11/79/77/1180117977.db2.gz HDKUIKLYTAYJDD-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCC2CCCC2)C1 ZINC001437973915 1180117982 /nfs/dbraw/zinc/11/79/82/1180117982.db2.gz HDKUIKLYTAYJDD-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[N@H+](CC2CC(C)C2)C1)N(C)C ZINC001438020313 1180160534 /nfs/dbraw/zinc/16/05/34/1180160534.db2.gz GZIZHCURNGOCIM-BHUNQDJPSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CC(C)C2)C1)N(C)C ZINC001438020313 1180160546 /nfs/dbraw/zinc/16/05/46/1180160546.db2.gz GZIZHCURNGOCIM-BHUNQDJPSA-N 1 3 309.498 2.199 20 0 DEADHO C[C@@H](c1ccccc1)[NH+]1CC(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001438140948 1180214258 /nfs/dbraw/zinc/21/42/58/1180214258.db2.gz BWOCGNUSVSADDJ-CVEARBPZSA-N 1 3 315.461 2.137 20 0 DEADHO CC(C)[NH2+]Cc1ccc(CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001438445642 1180436915 /nfs/dbraw/zinc/43/69/15/1180436915.db2.gz AFZDPYYFYJSENO-OAHLLOKOSA-N 1 3 303.450 2.143 20 0 DEADHO Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C2CCC2)cs1 ZINC001438652775 1180729945 /nfs/dbraw/zinc/72/99/45/1180729945.db2.gz NXCXPZVIVAVTAG-CYBMUJFWSA-N 1 3 323.506 2.477 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001438681445 1180752208 /nfs/dbraw/zinc/75/22/08/1180752208.db2.gz JXYUGAZLRKZZKZ-NVXWUHKLSA-N 1 3 317.477 2.273 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(F)c1)N(C)C ZINC001438714710 1180785022 /nfs/dbraw/zinc/78/50/22/1180785022.db2.gz ZZKLXNSBPHAMEJ-CJNGLKHVSA-N 1 3 309.429 2.102 20 0 DEADHO CC(C)[C@H](CNC(=O)[C@H](C)N1CCCCCC1)[NH2+]CC1CC1 ZINC001438835145 1180825945 /nfs/dbraw/zinc/82/59/45/1180825945.db2.gz ORDVYLARUBNTJD-RDJZCZTQSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)CC[N@H+](C)CC1CC(C)(C)C1)N(C)C ZINC001438927009 1180853897 /nfs/dbraw/zinc/85/38/97/1180853897.db2.gz DPUFEACZDCCQCY-INIZCTEOSA-N 1 3 311.514 2.399 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)CC[N@@H+](C)CC1CC(C)(C)C1)N(C)C ZINC001438927009 1180853899 /nfs/dbraw/zinc/85/38/99/1180853899.db2.gz DPUFEACZDCCQCY-INIZCTEOSA-N 1 3 311.514 2.399 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[N@H+](C)CC1CC2(CCC2)C1 ZINC001438927985 1180854882 /nfs/dbraw/zinc/85/48/82/1180854882.db2.gz KRRNIAZZPTUBAK-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[N@@H+](C)CC1CC2(CCC2)C1 ZINC001438927985 1180854883 /nfs/dbraw/zinc/85/48/83/1180854883.db2.gz KRRNIAZZPTUBAK-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC2CCCC2)C1 ZINC001438942911 1180860433 /nfs/dbraw/zinc/86/04/33/1180860433.db2.gz AQJBUCPXMRZCLA-ROUUACIJSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC2CCCC2)C1 ZINC001438942911 1180860438 /nfs/dbraw/zinc/86/04/38/1180860438.db2.gz AQJBUCPXMRZCLA-ROUUACIJSA-N 1 3 321.509 2.440 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]Cc1c(C)cccc1C ZINC001439177676 1180915566 /nfs/dbraw/zinc/91/55/66/1180915566.db2.gz XSONWHGSPLSKEP-MRXNPFEDSA-N 1 3 305.466 2.240 20 0 DEADHO C[C@@H](C[NH2+]CC1CCC(C)CC1)NC(=O)C1(N(C)C)CCC1 ZINC001439213792 1180942358 /nfs/dbraw/zinc/94/23/58/1180942358.db2.gz JOCDSORNGFBSFC-PCKAHOCUSA-N 1 3 309.498 2.391 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CNCc1ccccc1Cl ZINC001439265720 1180977840 /nfs/dbraw/zinc/97/78/40/1180977840.db2.gz QSDBIPGSRMYCPF-ZDUSSCGKSA-N 1 3 311.857 2.276 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CNCc1ccccc1Cl ZINC001439265720 1180977844 /nfs/dbraw/zinc/97/78/44/1180977844.db2.gz QSDBIPGSRMYCPF-ZDUSSCGKSA-N 1 3 311.857 2.276 20 0 DEADHO CN(CC(=O)NCC1([NH2+]CC2CC(C)(C)C2)CC1)C1CCC1 ZINC001439622287 1181172417 /nfs/dbraw/zinc/17/24/17/1181172417.db2.gz PXMNUCXJGOKMIS-UHFFFAOYSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@]1(C)CCC[N@H+](CC2CCC2)C1 ZINC001439947040 1181324088 /nfs/dbraw/zinc/32/40/88/1181324088.db2.gz GGPKYGSYIRITMC-GOSISDBHSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@]1(C)CCC[N@@H+](CC2CCC2)C1 ZINC001439947040 1181324093 /nfs/dbraw/zinc/32/40/93/1181324093.db2.gz GGPKYGSYIRITMC-GOSISDBHSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]([NH2+]CCF)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001440130770 1181362234 /nfs/dbraw/zinc/36/22/34/1181362234.db2.gz XUALUWZBCTWQQQ-PBHICJAKSA-N 1 3 321.440 2.158 20 0 DEADHO C[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCF)C1)N1CCCCCC1 ZINC001440402763 1181487311 /nfs/dbraw/zinc/48/73/11/1181487311.db2.gz BEUZDVJWCUMMCP-OWCLPIDISA-N 1 3 313.461 2.095 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)CCC[N@H+](C)Cc2ccccc2)C1 ZINC001440464673 1181532863 /nfs/dbraw/zinc/53/28/63/1181532863.db2.gz NPGWLDXQBISTMA-QGZVFWFLSA-N 1 3 317.477 2.309 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)CCC[N@@H+](C)Cc2ccccc2)C1 ZINC001440464673 1181532872 /nfs/dbraw/zinc/53/28/72/1181532872.db2.gz NPGWLDXQBISTMA-QGZVFWFLSA-N 1 3 317.477 2.309 20 0 DEADHO CCC(CC)C[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001440600103 1181607533 /nfs/dbraw/zinc/60/75/33/1181607533.db2.gz BNJKKCOZJQKEMH-YOEHRIQHSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)C(C)C ZINC001440863899 1181736314 /nfs/dbraw/zinc/73/63/14/1181736314.db2.gz WQGKNSATZGAPGA-JKSUJKDBSA-N 1 3 305.466 2.318 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@@H]([NH2+]CC2CCCC2)C2CC2)C1 ZINC001441225974 1181902529 /nfs/dbraw/zinc/90/25/29/1181902529.db2.gz MVWLUTMUDWKLLL-WMLDXEAASA-N 1 3 307.482 2.003 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001441509922 1182032756 /nfs/dbraw/zinc/03/27/56/1182032756.db2.gz MQBSJEOFIPNWPA-VVLHAWIVSA-N 1 3 309.498 2.247 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001442070883 1182307242 /nfs/dbraw/zinc/30/72/42/1182307242.db2.gz WNSJLBOKEPRMEJ-CYBMUJFWSA-N 1 3 319.440 2.246 20 0 DEADHO Cc1ccc(F)c(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCCN2C)c1 ZINC001442244268 1182388345 /nfs/dbraw/zinc/38/83/45/1182388345.db2.gz RCYPGRHISHYUBW-PBHICJAKSA-N 1 3 321.440 2.213 20 0 DEADHO CC[N@H+](CCNC(=O)CN1[C@@H](C)CC[C@@H]1C)CC1CCCC1 ZINC001442758466 1182692020 /nfs/dbraw/zinc/69/20/20/1182692020.db2.gz XNELRUKJYVECPA-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@@H+](CCNC(=O)CN1[C@@H](C)CC[C@@H]1C)CC1CCCC1 ZINC001442758466 1182692025 /nfs/dbraw/zinc/69/20/25/1182692025.db2.gz XNELRUKJYVECPA-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+](CCNC(=O)CN1[C@H](C)CC[C@@H]1C)CC1CCCC1 ZINC001442758497 1182692551 /nfs/dbraw/zinc/69/25/51/1182692551.db2.gz XNELRUKJYVECPA-IYBDPMFKSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@@H+](CCNC(=O)CN1[C@H](C)CC[C@@H]1C)CC1CCCC1 ZINC001442758497 1182692553 /nfs/dbraw/zinc/69/25/53/1182692553.db2.gz XNELRUKJYVECPA-IYBDPMFKSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]([NH2+]CCN(C)C(=O)CN1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC001443081712 1182843685 /nfs/dbraw/zinc/84/36/85/1182843685.db2.gz RZDBVNLQFPOMAI-CABCVRRESA-N 1 3 321.440 2.277 20 0 DEADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccsc1 ZINC001443939794 1183213345 /nfs/dbraw/zinc/21/33/45/1183213345.db2.gz VANSBNZFYLTPGC-CQSZACIVSA-N 1 3 309.479 2.217 20 0 DEADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+][C@@H]1CCc2ccccc21 ZINC001444047765 1183273611 /nfs/dbraw/zinc/27/36/11/1183273611.db2.gz WWGSXCJOHSUKBL-SJLPKXTDSA-N 1 3 317.477 2.499 20 0 DEADHO C[C@@H](C[NH2+]CC1CCC2(CC2)CC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001445603117 1183928460 /nfs/dbraw/zinc/92/84/60/1183928460.db2.gz AZVUKZMJXBKXFJ-CVEARBPZSA-N 1 3 321.509 2.393 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CNCc1cc(C)ccc1F ZINC001445635310 1183946575 /nfs/dbraw/zinc/94/65/75/1183946575.db2.gz WTTYXMQSPKNNLD-AWEZNQCLSA-N 1 3 309.429 2.070 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CNCc1cc(C)ccc1F ZINC001445635310 1183946583 /nfs/dbraw/zinc/94/65/83/1183946583.db2.gz WTTYXMQSPKNNLD-AWEZNQCLSA-N 1 3 309.429 2.070 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CCN1CC1CCC1)[NH+]1CCCCC1 ZINC001446126399 1184237814 /nfs/dbraw/zinc/23/78/14/1184237814.db2.gz LLKWYJKBPVZURZ-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001446442082 1184350517 /nfs/dbraw/zinc/35/05/17/1184350517.db2.gz WTNHAWGYZNDSJY-HOTGVXAUSA-N 1 3 313.461 2.047 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccccc2)C1 ZINC001446935583 1184582824 /nfs/dbraw/zinc/58/28/24/1184582824.db2.gz BMFALEFONDIXLV-SJLPKXTDSA-N 1 3 317.477 2.355 20 0 DEADHO CCC[N@H+](CC)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001447734239 1184851960 /nfs/dbraw/zinc/85/19/60/1184851960.db2.gz MZRNMQLSFHSICA-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@@H+](CC)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001447734239 1184851961 /nfs/dbraw/zinc/85/19/61/1184851961.db2.gz MZRNMQLSFHSICA-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[N@H+](C)CCC1CCCC1 ZINC001448122463 1185087064 /nfs/dbraw/zinc/08/70/64/1185087064.db2.gz NZZDHGPLJWLZSX-ZDUSSCGKSA-N 1 3 306.454 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[N@@H+](C)CCC1CCCC1 ZINC001448122463 1185087069 /nfs/dbraw/zinc/08/70/69/1185087069.db2.gz NZZDHGPLJWLZSX-ZDUSSCGKSA-N 1 3 306.454 2.277 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C1C[NH+](CC2CC(C)(C)C2)C1)N(C)C ZINC001448313977 1185158680 /nfs/dbraw/zinc/15/86/80/1185158680.db2.gz IJMXIQURMXTGSR-XJKSGUPXSA-N 1 3 309.498 2.199 20 0 DEADHO CN1CCCC[C@@H]1C(=O)N1CCC([N@H+](C)C/C=C\Cl)CC1 ZINC001448539997 1185283513 /nfs/dbraw/zinc/28/35/13/1185283513.db2.gz WNHVYAVHSMXABS-HMZQOCAUSA-N 1 3 313.873 2.146 20 0 DEADHO CN1CCCC[C@@H]1C(=O)N1CCC([N@@H+](C)C/C=C\Cl)CC1 ZINC001448539997 1185283521 /nfs/dbraw/zinc/28/35/21/1185283521.db2.gz WNHVYAVHSMXABS-HMZQOCAUSA-N 1 3 313.873 2.146 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCC3CC3)[C@@H]2C1 ZINC001449027136 1185496026 /nfs/dbraw/zinc/49/60/26/1185496026.db2.gz CHSDNNHFCXMNIT-KSZLIROESA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(C)c1)N(C)C ZINC001405888959 1164314360 /nfs/dbraw/zinc/31/43/60/1164314360.db2.gz IFMRJUKRRSVNBU-NVXWUHKLSA-N 1 3 305.466 2.272 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001406418257 1164582568 /nfs/dbraw/zinc/58/25/68/1164582568.db2.gz BIKBAMAZOBZOGW-ZIAGYGMSSA-N 1 3 319.440 2.248 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CCCF)CC1(C)C)N(C)C ZINC001408148321 1165498496 /nfs/dbraw/zinc/49/84/96/1165498496.db2.gz YUJMZQHSLKTHBX-HUUCEWRRSA-N 1 3 315.477 2.149 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](CCCF)CC1(C)C)N(C)C ZINC001408148321 1165498502 /nfs/dbraw/zinc/49/85/02/1165498502.db2.gz YUJMZQHSLKTHBX-HUUCEWRRSA-N 1 3 315.477 2.149 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC[C@H](C)F)[C@H](C)C1 ZINC001106340015 782662166 /nfs/dbraw/zinc/66/21/66/782662166.db2.gz IBHNVLBGNKOMLO-QLFBSQMISA-N 1 3 315.477 2.149 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCCCCF)[C@H](C)C1)N(C)C ZINC001106673125 782844896 /nfs/dbraw/zinc/84/48/96/782844896.db2.gz CVQMGDMDSGQPOP-OAGGEKHMSA-N 1 3 315.477 2.151 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]CC1CCC1 ZINC001106672712 782845213 /nfs/dbraw/zinc/84/52/13/782845213.db2.gz GWFOKAALUQCASM-NVXWUHKLSA-N 1 3 323.525 2.449 20 0 DEADHO CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106704892 782871512 /nfs/dbraw/zinc/87/15/12/782871512.db2.gz HRRHFTGWDFHENU-DOOVEFGSSA-N 1 3 318.465 2.383 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1=CC[N@H+](CC2CCC2)CC1 ZINC001333457700 1150052846 /nfs/dbraw/zinc/05/28/46/1150052846.db2.gz LDFPGLNOAIYWBN-IYBDPMFKSA-N 1 3 319.493 2.408 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1=CC[N@@H+](CC2CCC2)CC1 ZINC001333457700 1150052850 /nfs/dbraw/zinc/05/28/50/1150052850.db2.gz LDFPGLNOAIYWBN-IYBDPMFKSA-N 1 3 319.493 2.408 20 0 DEADHO C[N@@H+]1CCC[C@@H](CN2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 ZINC001208606025 776597255 /nfs/dbraw/zinc/59/72/55/776597255.db2.gz DFOCFCIUOCHLQU-OWCLPIDISA-N 1 3 323.481 2.269 20 0 DEADHO C[N@H+]1CCC[C@@H](CN2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 ZINC001208606025 776597267 /nfs/dbraw/zinc/59/72/67/776597267.db2.gz DFOCFCIUOCHLQU-OWCLPIDISA-N 1 3 323.481 2.269 20 0 DEADHO CC[C@H](C)C[NH2+]CC1(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001167224462 776780622 /nfs/dbraw/zinc/78/06/22/776780622.db2.gz KQJYVTVERQJQSI-HOTGVXAUSA-N 1 3 309.498 2.393 20 0 DEADHO CN(CC(=O)NCCC1(C[NH2+]CC2CC2)CC1)CC(C)(C)C ZINC001167240799 776791948 /nfs/dbraw/zinc/79/19/48/776791948.db2.gz UHWGGFWJEFAXAK-UHFFFAOYSA-N 1 3 309.498 2.250 20 0 DEADHO CCN(CC)CC(=O)NCCC1(C[NH2+]Cc2ccccc2)CC1 ZINC001167480353 777150348 /nfs/dbraw/zinc/15/03/48/777150348.db2.gz BLWYMGFEEUZFTA-UHFFFAOYSA-N 1 3 317.477 2.405 20 0 DEADHO CCC[NH+]1CCC(NC[C@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC000724972657 777546487 /nfs/dbraw/zinc/54/64/87/777546487.db2.gz WXHZVSCJTJMXSU-OAHLLOKOSA-N 1 3 311.470 2.460 20 0 DEADHO CC(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001104641177 777989546 /nfs/dbraw/zinc/98/95/46/777989546.db2.gz DDNDUFZGTDIJCC-BRWVUGGUSA-N 1 3 311.514 2.303 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC2CC2)C1)N(C)C ZINC001104641308 777989596 /nfs/dbraw/zinc/98/95/96/777989596.db2.gz KYOIAKMYANPURD-KBAYOESNSA-N 1 3 323.525 2.447 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1CC[NH2+]CCC1CC1 ZINC001104676562 778015607 /nfs/dbraw/zinc/01/56/07/778015607.db2.gz PVLBLKWUASZUEA-SOLBZPMBSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]CCCCCF ZINC001104729654 778050642 /nfs/dbraw/zinc/05/06/42/778050642.db2.gz YODPPNUNAZQVSO-HUUCEWRRSA-N 1 3 324.444 2.166 20 0 DEADHO C[NH2+][C@@H](CC(C)C)C(=O)N(C1CCCC1)C1CCN(C)CC1 ZINC001161453292 778120709 /nfs/dbraw/zinc/12/07/09/778120709.db2.gz BYJDECAZVXEOBS-KRWDZBQOSA-N 1 3 309.498 2.486 20 0 DEADHO [NH3+][C@@H]1CCc2c3ccccc3n(-c3ccc4c(n3)CNCC4)c2C1 ZINC001171097445 790633639 /nfs/dbraw/zinc/63/36/39/790633639.db2.gz UYPKXGRAYMGFGW-CQSZACIVSA-N 1 3 318.424 2.487 20 0 DEADHO CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001112531659 778654978 /nfs/dbraw/zinc/65/49/78/778654978.db2.gz JXGPZOJRCJLDDH-YJBOKZPZSA-N 1 3 309.498 2.203 20 0 DEADHO N=C(NCCCC[NH3+])Nc1cc(-c2ccc(Cl)cc2)ncn1 ZINC001167881282 778744632 /nfs/dbraw/zinc/74/46/32/778744632.db2.gz ZQBBRKIAKDJFCR-UHFFFAOYSA-N 1 3 318.812 2.472 20 0 DEADHO CNC(=O)CCNC1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168019421 779398898 /nfs/dbraw/zinc/39/88/98/779398898.db2.gz IWJWKMLGSXNTGS-HUUCEWRRSA-N 1 3 303.450 2.154 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC[N@@H+]1CC ZINC001087723916 779423913 /nfs/dbraw/zinc/42/39/13/779423913.db2.gz MLDZRQOFFDQVGG-JJRVBVJISA-N 1 3 313.461 2.188 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC[N@H+]1CC ZINC001087723916 779423915 /nfs/dbraw/zinc/42/39/15/779423915.db2.gz MLDZRQOFFDQVGG-JJRVBVJISA-N 1 3 313.461 2.188 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106562 779706061 /nfs/dbraw/zinc/70/60/61/779706061.db2.gz HGZNKCDLBOYYAK-KURKYZTESA-N 1 3 321.509 2.155 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106562 779706066 /nfs/dbraw/zinc/70/60/66/779706066.db2.gz HGZNKCDLBOYYAK-KURKYZTESA-N 1 3 321.509 2.155 20 0 DEADHO CC1CC(C[N@H+](C)C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC000985469921 779853433 /nfs/dbraw/zinc/85/34/33/779853433.db2.gz LHGCWUSMPLHMND-UHFFFAOYSA-N 1 3 321.509 2.440 20 0 DEADHO CC1CC(C[N@@H+](C)C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC000985469921 779853440 /nfs/dbraw/zinc/85/34/40/779853440.db2.gz LHGCWUSMPLHMND-UHFFFAOYSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@@H+]1CC1CCCC1 ZINC001088702430 780862657 /nfs/dbraw/zinc/86/26/57/780862657.db2.gz QRMMHGHOBZDARF-WBVHZDCISA-N 1 3 319.493 2.384 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@H+]1CC1CCCC1 ZINC001088702430 780862665 /nfs/dbraw/zinc/86/26/65/780862665.db2.gz QRMMHGHOBZDARF-WBVHZDCISA-N 1 3 319.493 2.384 20 0 DEADHO CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)[C@H]1C ZINC001088768733 780968998 /nfs/dbraw/zinc/96/89/98/780968998.db2.gz AYWUWPGVPHFLAY-HYVNUMGLSA-N 1 3 307.482 2.240 20 0 DEADHO CCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)[C@H]1C ZINC001088768733 780968999 /nfs/dbraw/zinc/96/89/99/780968999.db2.gz AYWUWPGVPHFLAY-HYVNUMGLSA-N 1 3 307.482 2.240 20 0 DEADHO FC1(F)CCN(CC[NH2+]C2CCN(CC3CC3)CC2)CC1 ZINC001168366561 781199789 /nfs/dbraw/zinc/19/97/89/781199789.db2.gz WIPAUJFPGCJNRN-UHFFFAOYSA-N 1 3 301.425 2.182 20 0 DEADHO CC(C)=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000948244223 783390644 /nfs/dbraw/zinc/39/06/44/783390644.db2.gz FYMQQMHQXLUHIJ-DLBZAZTESA-N 1 3 307.482 2.360 20 0 DEADHO CC(C)=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000948244223 783390649 /nfs/dbraw/zinc/39/06/49/783390649.db2.gz FYMQQMHQXLUHIJ-DLBZAZTESA-N 1 3 307.482 2.360 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000948244987 783391202 /nfs/dbraw/zinc/39/12/02/783391202.db2.gz MCOVMGWNCFUKOU-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000948244987 783391204 /nfs/dbraw/zinc/39/12/04/783391204.db2.gz MCOVMGWNCFUKOU-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001089821514 783480279 /nfs/dbraw/zinc/48/02/79/783480279.db2.gz UTTRGESENKPQMY-HPBDAGMYSA-N 1 3 319.493 2.050 20 0 DEADHO CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001089821514 783480288 /nfs/dbraw/zinc/48/02/88/783480288.db2.gz UTTRGESENKPQMY-HPBDAGMYSA-N 1 3 319.493 2.050 20 0 DEADHO CCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N(C)CC ZINC001099497866 783521576 /nfs/dbraw/zinc/52/15/76/783521576.db2.gz RCGLLBWJOVRAKH-NXOAAHMSSA-N 1 3 321.509 2.296 20 0 DEADHO CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N(C)CC ZINC001099497866 783521585 /nfs/dbraw/zinc/52/15/85/783521585.db2.gz RCGLLBWJOVRAKH-NXOAAHMSSA-N 1 3 321.509 2.296 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1 ZINC001085406241 783670004 /nfs/dbraw/zinc/67/00/04/783670004.db2.gz WLMMEJWPUFUSTD-HUUCEWRRSA-N 1 3 304.438 2.078 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCC1 ZINC001085628916 783905495 /nfs/dbraw/zinc/90/54/95/783905495.db2.gz HPJMTLZQIGCAKL-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCC1 ZINC001085628916 783905501 /nfs/dbraw/zinc/90/55/01/783905501.db2.gz HPJMTLZQIGCAKL-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1CC1CCC1 ZINC001085628916 783905509 /nfs/dbraw/zinc/90/55/09/783905509.db2.gz HPJMTLZQIGCAKL-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1CC1CCC1 ZINC001085628916 783905515 /nfs/dbraw/zinc/90/55/15/783905515.db2.gz HPJMTLZQIGCAKL-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO COCCCC1(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)CCC1 ZINC001333680936 1150078710 /nfs/dbraw/zinc/07/87/10/1150078710.db2.gz CTAYEVDYZVSIOK-SFHVURJKSA-N 1 3 323.525 2.295 20 0 DEADHO COCCCC1(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CCC1 ZINC001333680936 1150078713 /nfs/dbraw/zinc/07/87/13/1150078713.db2.gz CTAYEVDYZVSIOK-SFHVURJKSA-N 1 3 323.525 2.295 20 0 DEADHO CN(C[C@H]1CCN1CC1CC1)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085917393 784210318 /nfs/dbraw/zinc/21/03/18/784210318.db2.gz YQNXIMPUDAYENS-GOSISDBHSA-N 1 3 319.493 2.051 20 0 DEADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)C12CC3CC(CC(C3)C1)C2 ZINC001144774529 791028711 /nfs/dbraw/zinc/02/87/11/791028711.db2.gz RMCIQCIHUFCDHD-UHFFFAOYSA-N 1 3 320.481 2.267 20 0 DEADHO CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000968680925 784536841 /nfs/dbraw/zinc/53/68/41/784536841.db2.gz FHCPWYUUXDHWPH-WMLDXEAASA-N 1 3 303.450 2.208 20 0 DEADHO CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000968680925 784536848 /nfs/dbraw/zinc/53/68/48/784536848.db2.gz FHCPWYUUXDHWPH-WMLDXEAASA-N 1 3 303.450 2.208 20 0 DEADHO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCCN1C/C=C\Cl ZINC000968782080 784588841 /nfs/dbraw/zinc/58/88/41/784588841.db2.gz SBGIBEYVTVQCHL-AJNJCKRNSA-N 1 3 313.873 2.194 20 0 DEADHO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCCN1C/C=C\Cl ZINC000968782080 784588851 /nfs/dbraw/zinc/58/88/51/784588851.db2.gz SBGIBEYVTVQCHL-AJNJCKRNSA-N 1 3 313.873 2.194 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CC2=CCCCC2)C1)C1CC1 ZINC000968912571 784647666 /nfs/dbraw/zinc/64/76/66/784647666.db2.gz KZYHYXUMTAMJTK-SJORKVTESA-N 1 3 305.466 2.018 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001007457456 784925115 /nfs/dbraw/zinc/92/51/15/784925115.db2.gz NUHFJXCKFAIWFD-IRXDYDNUSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001007457456 784925119 /nfs/dbraw/zinc/92/51/19/784925119.db2.gz NUHFJXCKFAIWFD-IRXDYDNUSA-N 1 3 307.482 2.242 20 0 DEADHO CN1CCCC[C@H]1c1ccc(-n2cc3c(n2)CC[C@H]([NH3+])C3)nc1 ZINC001168811118 784925470 /nfs/dbraw/zinc/92/54/70/784925470.db2.gz HOYFQDAMCAQWMT-RDJZCZTQSA-N 1 3 311.433 2.240 20 0 DEADHO COC(=O)Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC001169099143 785033266 /nfs/dbraw/zinc/03/32/66/785033266.db2.gz OCTXGMVOAXWUPI-BJWYYQGGSA-N 1 3 302.418 2.117 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCNC(=O)Nc1ccccc1)C2 ZINC001169099518 785033523 /nfs/dbraw/zinc/03/35/23/785033523.db2.gz ADVRWSSQNHOANN-PHZGNYQRSA-N 1 3 302.422 2.023 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NCCC(=O)N1CCc3ccccc31)C2 ZINC001169100942 785034261 /nfs/dbraw/zinc/03/42/61/785034261.db2.gz MMSPEGNIDCKGSA-OSYLJGHBSA-N 1 3 313.445 2.181 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NCCC(=O)N1CCc3ccccc31)C2 ZINC001169100942 785034267 /nfs/dbraw/zinc/03/42/67/785034267.db2.gz MMSPEGNIDCKGSA-OSYLJGHBSA-N 1 3 313.445 2.181 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1CCCN(c3ccccn3)C1)C2 ZINC001169115767 785059110 /nfs/dbraw/zinc/05/91/10/785059110.db2.gz OIUGCMFHRJNVKE-NXOAAHMSSA-N 1 3 300.450 2.265 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1CCCN(c3ccccn3)C1)C2 ZINC001169115767 785059115 /nfs/dbraw/zinc/05/91/15/785059115.db2.gz OIUGCMFHRJNVKE-NXOAAHMSSA-N 1 3 300.450 2.265 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCN(CCc3ccccc3)CC1)C2 ZINC001169142412 785060842 /nfs/dbraw/zinc/06/08/42/785060842.db2.gz UHSYAOXDVXMGPW-ACDBMABISA-N 1 3 313.489 2.472 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCN(CCc3ccccc3)CC1)C2 ZINC001169142412 785060848 /nfs/dbraw/zinc/06/08/48/785060848.db2.gz UHSYAOXDVXMGPW-ACDBMABISA-N 1 3 313.489 2.472 20 0 DEADHO CCOC(=O)[C@@H]1CC[C@H](NC2CC[NH+](C3CCCC3)CC2)CO1 ZINC001169350177 785143874 /nfs/dbraw/zinc/14/38/74/785143874.db2.gz SXGKWIBMYGWKCY-RDJZCZTQSA-N 1 3 324.465 2.094 20 0 DEADHO CC(C)N1CCN(c2ccc(NCC[C@H]3CCC[NH2+]3)cn2)CC1 ZINC001169563818 785243928 /nfs/dbraw/zinc/24/39/28/785243928.db2.gz BQGRCHMHBMZHTE-MRXNPFEDSA-N 1 3 317.481 2.166 20 0 DEADHO CC(=O)N1CCC[C@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC001169589777 785251051 /nfs/dbraw/zinc/25/10/51/785251051.db2.gz VEDMWIFXBHCLEJ-KRWDZBQOSA-N 1 3 307.482 2.384 20 0 DEADHO Cc1ccccc1CN1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001009506597 785468754 /nfs/dbraw/zinc/46/87/54/785468754.db2.gz DMILKPCGNDNPST-ROUUACIJSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccccc1CN1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001009506597 785468758 /nfs/dbraw/zinc/46/87/58/785468758.db2.gz DMILKPCGNDNPST-ROUUACIJSA-N 1 3 315.461 2.027 20 0 DEADHO CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)N(C)CC)C2 ZINC001108717471 785503514 /nfs/dbraw/zinc/50/35/14/785503514.db2.gz LGHYDZUMVBYKFJ-XHSDSOJGSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H](CN)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171252599 791132764 /nfs/dbraw/zinc/13/27/64/791132764.db2.gz YCDIFGGHQBEQTE-LNRIEFBSSA-N 1 3 301.434 2.007 20 0 DEADHO CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)CCC)C2 ZINC001112568123 786160474 /nfs/dbraw/zinc/16/04/74/786160474.db2.gz YRVQHWANGDAELX-WMZOPIPTSA-N 1 3 309.498 2.347 20 0 DEADHO CC[C@]1(C(=O)N2CCN(CC3CCCCC3)CC2)CCC[NH2+]C1 ZINC001157579999 786671044 /nfs/dbraw/zinc/67/10/44/786671044.db2.gz VWDYTSDQANIWBI-IBGZPJMESA-N 1 3 321.509 2.491 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001015054719 786878652 /nfs/dbraw/zinc/87/86/52/786878652.db2.gz ZGYUQWJTJAZEEM-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001015054719 786878661 /nfs/dbraw/zinc/87/86/61/786878661.db2.gz ZGYUQWJTJAZEEM-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001129950582 787262409 /nfs/dbraw/zinc/26/24/09/787262409.db2.gz WTELLMKAQRPOKT-WBVHZDCISA-N 1 3 305.466 2.348 20 0 DEADHO Cc1cccc(C)c1C[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C ZINC001129947405 787264933 /nfs/dbraw/zinc/26/49/33/787264933.db2.gz YIJQSYDULOOWQO-KRWDZBQOSA-N 1 3 305.466 2.095 20 0 DEADHO C[C@@H](NCCNC(=O)C12CCC[NH+]1CCC2)c1ccccc1F ZINC001130810093 787478321 /nfs/dbraw/zinc/47/83/21/787478321.db2.gz MTDOEECPASCFSE-CQSZACIVSA-N 1 3 319.424 2.221 20 0 DEADHO CCN(CC)Cc1cccc(N[C@@H](C)[C@H]2C[NH2+]CCO2)c1F ZINC001170573151 787658614 /nfs/dbraw/zinc/65/86/14/787658614.db2.gz JJELHJUYKWFCNU-XJKSGUPXSA-N 1 3 309.429 2.456 20 0 DEADHO CC[NH+](CC)Cc1cccc(N[C@@H](C)[C@H]2CNCCO2)c1F ZINC001170573151 787658619 /nfs/dbraw/zinc/65/86/19/787658619.db2.gz JJELHJUYKWFCNU-XJKSGUPXSA-N 1 3 309.429 2.456 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2CCC2)C1 ZINC001132153060 787946424 /nfs/dbraw/zinc/94/64/24/787946424.db2.gz MYYWTQQJVPKIQF-GDBMZVCRSA-N 1 3 309.498 2.486 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC2CCC2)C1 ZINC001132153060 787946429 /nfs/dbraw/zinc/94/64/29/787946429.db2.gz MYYWTQQJVPKIQF-GDBMZVCRSA-N 1 3 309.498 2.486 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC2CCC2)C1 ZINC001133274455 788346869 /nfs/dbraw/zinc/34/68/69/788346869.db2.gz IJDRJGLQXBIJFN-WBVHZDCISA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)[C@H](C(=O)NCC[NH2+][C@H]1CCc2ccc(F)cc21)N(C)C ZINC001133434190 788428777 /nfs/dbraw/zinc/42/87/77/788428777.db2.gz KITYHHAVDOCUEQ-DLBZAZTESA-N 1 3 321.440 2.105 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]CCc1ccc(Cl)cc1 ZINC001133824030 788630294 /nfs/dbraw/zinc/63/02/94/788630294.db2.gz WHTIYTVJJCCMRL-AWEZNQCLSA-N 1 3 323.868 2.073 20 0 DEADHO Cc1cc(Cl)ccc1C[NH2+]CCNC(=O)CN1CC[C@H](C)C1 ZINC001133853404 788634646 /nfs/dbraw/zinc/63/46/46/788634646.db2.gz ILTMLGGCXZQIQV-ZDUSSCGKSA-N 1 3 323.868 2.196 20 0 DEADHO CC1(C)CCN(CC(=O)NCC[NH2+]CCCC2CCCC2)C1 ZINC001133893687 788660374 /nfs/dbraw/zinc/66/03/74/788660374.db2.gz LYDIBDDWARVMAH-UHFFFAOYSA-N 1 3 309.498 2.395 20 0 DEADHO CC1(C)CCN(CC(=O)NCC[NH2+][C@@H]2CCc3ccccc32)C1 ZINC001133896691 788663735 /nfs/dbraw/zinc/66/37/35/788663735.db2.gz ORPHEFYDVVGNHL-QGZVFWFLSA-N 1 3 315.461 2.112 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+][C@H]1CCc2ccc(Cl)cc21)N(C)C ZINC001133963186 788693256 /nfs/dbraw/zinc/69/32/56/788693256.db2.gz RBOREBXVAHMHGI-HOTGVXAUSA-N 1 3 323.868 2.373 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCF ZINC001170750348 788914989 /nfs/dbraw/zinc/91/49/89/788914989.db2.gz JEXCSUDINICYMV-CVEARBPZSA-N 1 3 315.477 2.483 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccnc1 ZINC001134774244 789075801 /nfs/dbraw/zinc/07/58/01/789075801.db2.gz WUIBDSJJLNWWBS-GJZGRUSLSA-N 1 3 320.481 2.185 20 0 DEADHO CCCCCCN(C)CC(=O)NCC[NH2+]CCCCCOC ZINC001135437756 789342742 /nfs/dbraw/zinc/34/27/42/789342742.db2.gz WSHXYXRFLALUTA-UHFFFAOYSA-N 1 3 315.502 2.021 20 0 DEADHO C[C@H](C[C@H](C)NC(=O)CN1CCC(C)(C)C1)[NH2+]CC1CCC1 ZINC001135475720 789365094 /nfs/dbraw/zinc/36/50/94/789365094.db2.gz FNHUEMBYGMNQND-CABCVRRESA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H](C[C@H](C)[NH2+]CCCF)NC(=O)CN(C)CC(C)(C)C ZINC001135476316 789365575 /nfs/dbraw/zinc/36/55/75/789365575.db2.gz JJSCEYZBRGBHQQ-KBPBESRZSA-N 1 3 303.466 2.197 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCCCOC ZINC001135980635 789582307 /nfs/dbraw/zinc/58/23/07/789582307.db2.gz QXZONVSVEXXOQP-HOTGVXAUSA-N 1 3 315.502 2.018 20 0 DEADHO CC(C)=CCN1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071796929 789923146 /nfs/dbraw/zinc/92/31/46/789923146.db2.gz ZPXVUYLOOKSIDZ-RDJZCZTQSA-N 1 3 307.482 2.264 20 0 DEADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CC1CCC1 ZINC001072301910 790110251 /nfs/dbraw/zinc/11/02/51/790110251.db2.gz ZJRFDJVGHDZKGS-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+]CC1CCC2(CC2)CC1)N(C)C ZINC001160890116 791227859 /nfs/dbraw/zinc/22/78/59/791227859.db2.gz VJANVSOSUNKLFX-MRXNPFEDSA-N 1 3 309.498 2.393 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC2CCCCC2)[C@@H]1C)N(C)C ZINC001074709608 791270044 /nfs/dbraw/zinc/27/00/44/791270044.db2.gz JPSBHVBMVJQXOI-BHYGNILZSA-N 1 3 309.498 2.486 20 0 DEADHO Cc1ccncc1C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146594786 791317381 /nfs/dbraw/zinc/31/73/81/791317381.db2.gz UWDXQIAFGWWBOL-HOTGVXAUSA-N 1 3 320.481 2.103 20 0 DEADHO CC(C)CCC[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001147723984 791605614 /nfs/dbraw/zinc/60/56/14/791605614.db2.gz GZKZXVTWHKFZPZ-KRWDZBQOSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)CCC[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001147723984 791605616 /nfs/dbraw/zinc/60/56/16/791605616.db2.gz GZKZXVTWHKFZPZ-KRWDZBQOSA-N 1 3 321.509 2.297 20 0 DEADHO Cc1cc(CN2CCC3(CN(C(=O)CC[NH+](C)C)C3)C2)cs1 ZINC001148216924 791713193 /nfs/dbraw/zinc/71/31/93/791713193.db2.gz TYEVEDCMUULWSR-UHFFFAOYSA-N 1 3 321.490 2.043 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC001148642913 791779872 /nfs/dbraw/zinc/77/98/72/791779872.db2.gz QGAPAUZUWBCDME-LBPRGKRZSA-N 1 3 313.392 2.073 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+]CC[C@H]1CCc2ccccc21 ZINC001148642370 791780109 /nfs/dbraw/zinc/78/01/09/791780109.db2.gz GKEJKDAILLCBGU-QGZVFWFLSA-N 1 3 317.477 2.154 20 0 DEADHO C[C@@H]1CC2(CN1C(=O)[C@H]1CCCN1C)CC[NH+](CC1CC1)CC2 ZINC001086910686 791847835 /nfs/dbraw/zinc/84/78/35/791847835.db2.gz ZFOJRNMNKMKJNC-NVXWUHKLSA-N 1 3 319.493 2.194 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001092049717 791924723 /nfs/dbraw/zinc/92/47/23/791924723.db2.gz ILBLRNLKBNMKIG-QAPCUYQASA-N 1 3 318.465 2.169 20 0 DEADHO CCC(CC)C[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001092049717 791924727 /nfs/dbraw/zinc/92/47/27/791924727.db2.gz ILBLRNLKBNMKIG-QAPCUYQASA-N 1 3 318.465 2.169 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC001093025010 792205563 /nfs/dbraw/zinc/20/55/63/792205563.db2.gz MKYHVOGFHGHCEK-ZACQAIPSSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC001093025010 792205572 /nfs/dbraw/zinc/20/55/72/792205572.db2.gz MKYHVOGFHGHCEK-ZACQAIPSSA-N 1 3 309.498 2.342 20 0 DEADHO [NH3+]CCCCN1CCN([C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171420097 792507745 /nfs/dbraw/zinc/50/77/45/792507745.db2.gz YOPPLXGJMRDTQM-INIZCTEOSA-N 1 3 305.441 2.040 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC2CC([NH2+]Cc3ccccc3)C2)C1 ZINC001100678528 792784007 /nfs/dbraw/zinc/78/40/07/792784007.db2.gz NZNSGGQVKYOPQJ-ZLPCBKJTSA-N 1 3 315.461 2.013 20 0 DEADHO CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001094414078 792906779 /nfs/dbraw/zinc/90/67/79/792906779.db2.gz SANIYFGTXBTSOB-LZLYRXPVSA-N 1 3 307.482 2.240 20 0 DEADHO CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001094414078 792906788 /nfs/dbraw/zinc/90/67/88/792906788.db2.gz SANIYFGTXBTSOB-LZLYRXPVSA-N 1 3 307.482 2.240 20 0 DEADHO CCCN(C)CC(=O)NCC1CC([NH2+]C[C@H](C)CC(C)C)C1 ZINC001100901593 792908097 /nfs/dbraw/zinc/90/80/97/792908097.db2.gz DGAOWAYJVUSDLS-KLAILNCOSA-N 1 3 311.514 2.495 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1ocnc1C)N(C)C ZINC001171508624 793117640 /nfs/dbraw/zinc/11/76/40/793117640.db2.gz HGPVUCHEESUZFC-UKRRQHHQSA-N 1 3 324.469 2.088 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](C[C@@H](C)CC)C[C@@]2(C)C1 ZINC001101443698 793164240 /nfs/dbraw/zinc/16/42/40/793164240.db2.gz OUGMYAVOQPAXPO-JZXOWHBKSA-N 1 3 309.498 2.155 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](C[C@@H](C)CC)C[C@@]2(C)C1 ZINC001101443698 793164244 /nfs/dbraw/zinc/16/42/44/793164244.db2.gz OUGMYAVOQPAXPO-JZXOWHBKSA-N 1 3 309.498 2.155 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]CCc1ccccc1CC ZINC001171763255 793198578 /nfs/dbraw/zinc/19/85/78/793198578.db2.gz WRENDMGIBUEMEN-UHFFFAOYSA-N 1 3 319.493 2.229 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]CC1CCC2(CC2)CC1 ZINC001171762794 793198954 /nfs/dbraw/zinc/19/89/54/793198954.db2.gz LGFQMMYNZSUKID-UHFFFAOYSA-N 1 3 309.498 2.395 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC(N3CCCOC3=O)CC1)C2 ZINC001172131782 793321819 /nfs/dbraw/zinc/32/18/19/793321819.db2.gz YMRRVWBNYKOZMR-FVQHAEBGSA-N 1 3 321.465 2.308 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC(N3CCCOC3=O)CC1)C2 ZINC001172131782 793321826 /nfs/dbraw/zinc/32/18/26/793321826.db2.gz YMRRVWBNYKOZMR-FVQHAEBGSA-N 1 3 321.465 2.308 20 0 DEADHO COc1ccc(C2([NH3+])CCN(C3C[C@@H]4C=C[C@H](C3)O4)CC2)cc1 ZINC001172236192 793380116 /nfs/dbraw/zinc/38/01/16/793380116.db2.gz NYJWXRHMWKTDMS-ZNXRZULTSA-N 1 3 314.429 2.431 20 0 DEADHO CC[C@@H](C)OCC[C@H](C)N(CCC[NH+](C)C)CCC(=O)OC ZINC001172343136 793410378 /nfs/dbraw/zinc/41/03/78/793410378.db2.gz QCOKKIARYXIECO-JKSUJKDBSA-N 1 3 316.486 2.397 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C)N(C)C ZINC001102071222 793493648 /nfs/dbraw/zinc/49/36/48/793493648.db2.gz HVPSTARPGPGULP-OIISXLGYSA-N 1 3 309.498 2.057 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C)N(C)C ZINC001102071222 793493652 /nfs/dbraw/zinc/49/36/52/793493652.db2.gz HVPSTARPGPGULP-OIISXLGYSA-N 1 3 309.498 2.057 20 0 DEADHO c1nc2c(s1)C[C@H]([NH2+][C@H]1CC[C@H](N3CCOCC3)CC1)CC2 ZINC001173123837 793583395 /nfs/dbraw/zinc/58/33/95/793583395.db2.gz AFYRJUYANXKZAT-RBSFLKMASA-N 1 3 321.490 2.233 20 0 DEADHO CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)CC1)C2 ZINC001095025136 793591353 /nfs/dbraw/zinc/59/13/53/793591353.db2.gz LARCLUSWFLYBGL-BBWFWOEESA-N 1 3 307.482 2.097 20 0 DEADHO FC(F)(F)CN1CCC(N2CCC([NH+]3CCC3)CC2)CC1 ZINC001173672052 793804300 /nfs/dbraw/zinc/80/43/00/793804300.db2.gz SFHIEOWGYHGNOU-UHFFFAOYSA-N 1 3 305.388 2.183 20 0 DEADHO c1nnn([C@H]2CCC[C@@H]([NH+]3CCC(N4CCCCC4)CC3)C2)n1 ZINC001173753591 793837455 /nfs/dbraw/zinc/83/74/55/793837455.db2.gz IIMIAWLJZHPPOE-SJORKVTESA-N 1 3 318.469 2.107 20 0 DEADHO CCC(CC)N1CCC([NH2+][C@@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173754976 793837860 /nfs/dbraw/zinc/83/78/60/793837860.db2.gz ZZGHZDIJLFNRPF-WBVHZDCISA-N 1 3 320.485 2.399 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@H+](CCCF)C[C@H]1C)N(C)C ZINC001103111591 793945293 /nfs/dbraw/zinc/94/52/93/793945293.db2.gz CYJMYCCIUJSRCD-OAGGEKHMSA-N 1 3 315.477 2.006 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CCCF)C[C@H]1C)N(C)C ZINC001103111591 793945297 /nfs/dbraw/zinc/94/52/97/793945297.db2.gz CYJMYCCIUJSRCD-OAGGEKHMSA-N 1 3 315.477 2.006 20 0 DEADHO CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001103436121 794092069 /nfs/dbraw/zinc/09/20/69/794092069.db2.gz LHWSTFAKDUAZQM-BRWVUGGUSA-N 1 3 309.498 2.203 20 0 DEADHO CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001103436121 794092080 /nfs/dbraw/zinc/09/20/80/794092080.db2.gz LHWSTFAKDUAZQM-BRWVUGGUSA-N 1 3 309.498 2.203 20 0 DEADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+](CCC(C)C)C[C@H]1C ZINC001103550613 794140843 /nfs/dbraw/zinc/14/08/43/794140843.db2.gz YYYIPRLFGRKSDE-IAGOWNOFSA-N 1 3 311.514 2.449 20 0 DEADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001103550613 794140852 /nfs/dbraw/zinc/14/08/52/794140852.db2.gz YYYIPRLFGRKSDE-IAGOWNOFSA-N 1 3 311.514 2.449 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1conc1C)N(C)C ZINC001175317895 794180829 /nfs/dbraw/zinc/18/08/29/794180829.db2.gz SZEBBDSAGGLGAY-BBRMVZONSA-N 1 3 324.469 2.088 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1cnc(C)o1)N(C)C ZINC001175316173 794181397 /nfs/dbraw/zinc/18/13/97/794181397.db2.gz IYMBIULRIVRUKY-CJNGLKHVSA-N 1 3 324.469 2.088 20 0 DEADHO CC[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103755570 794214492 /nfs/dbraw/zinc/21/44/92/794214492.db2.gz LPKKCCACWLJMSR-GVDBMIGSSA-N 1 3 311.514 2.447 20 0 DEADHO CC[C@H](C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103755570 794214499 /nfs/dbraw/zinc/21/44/99/794214499.db2.gz LPKKCCACWLJMSR-GVDBMIGSSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCF ZINC001175572710 794245339 /nfs/dbraw/zinc/24/53/39/794245339.db2.gz KHPUGDPKJJMWRV-CVEARBPZSA-N 1 3 315.477 2.483 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CCF ZINC001176760521 794498420 /nfs/dbraw/zinc/49/84/20/794498420.db2.gz ZSZWIADMYXSUGJ-HUUCEWRRSA-N 1 3 301.450 2.095 20 0 DEADHO C[C@@H](F)CC[NH2+]CCCNC(=O)c1ccccc1CN(C)C ZINC001176948255 794539045 /nfs/dbraw/zinc/53/90/45/794539045.db2.gz MVSMIRRANAYNOK-CQSZACIVSA-N 1 3 309.429 2.206 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)CN(C)C(C)C)cc1F ZINC001176975063 794544589 /nfs/dbraw/zinc/54/45/89/794544589.db2.gz JTAJPVOMNMUQIJ-UHFFFAOYSA-N 1 3 309.429 2.070 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21 ZINC001115169201 794694700 /nfs/dbraw/zinc/69/47/00/794694700.db2.gz CFBHKDYANOPJQS-HALDLXJZSA-N 1 3 318.465 2.133 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21 ZINC001115169201 794694705 /nfs/dbraw/zinc/69/47/05/794694705.db2.gz CFBHKDYANOPJQS-HALDLXJZSA-N 1 3 318.465 2.133 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]CCF)CCCCC1 ZINC001115535541 794811974 /nfs/dbraw/zinc/81/19/74/794811974.db2.gz ZRNRITOGXRDBDA-OAHLLOKOSA-N 1 3 313.461 2.237 20 0 DEADHO CC[C@@H](F)C[NH2+]CCCCCCNC(=O)[C@H](C1CC1)N(C)C ZINC001178698484 794980564 /nfs/dbraw/zinc/98/05/64/794980564.db2.gz IXIOFIHECKIYLD-CVEARBPZSA-N 1 3 315.477 2.341 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CCC(F)(F)F)CCN1C(=O)CN(C)C1CCC1 ZINC001178902325 795026609 /nfs/dbraw/zinc/02/66/09/795026609.db2.gz LHVJMCVKIWJJMY-AAEUAGOBSA-N 1 3 321.387 2.002 20 0 DEADHO CC[NH2+]CCCCCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001179590295 795138493 /nfs/dbraw/zinc/13/84/93/795138493.db2.gz GYTPMHIZBCIWHL-QGZVFWFLSA-N 1 3 315.477 2.485 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCCCCC[NH2+]C/C=C/Cl)C1 ZINC001179585773 795146354 /nfs/dbraw/zinc/14/63/54/795146354.db2.gz LCCBDLSXZUXBNQ-VFADXPBXSA-N 1 3 315.889 2.347 20 0 DEADHO CC(C)C[C@H](C)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001180131573 795239160 /nfs/dbraw/zinc/23/91/60/795239160.db2.gz GXARIJVEEPUUTE-ULQDDVLXSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)NCCCCCC[NH2+]CCCCOC ZINC001180123866 795246088 /nfs/dbraw/zinc/24/60/88/795246088.db2.gz LYBBINYJCDJREA-UHFFFAOYSA-N 1 3 315.502 2.021 20 0 DEADHO COCCCC[NH2+]CCCCCCNC(=O)CN(C)C(C)C ZINC001180369531 795291469 /nfs/dbraw/zinc/29/14/69/795291469.db2.gz KIBFGXHBQRPMLN-UHFFFAOYSA-N 1 3 315.502 2.019 20 0 DEADHO CC(C)C[NH2+]C[C@]1(C)CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001181746649 795530622 /nfs/dbraw/zinc/53/06/22/795530622.db2.gz SXBDYJJLDJFGTJ-NVXWUHKLSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@H](C(=O)NC1CC2(C1)CC([NH2+]CCC(C)C)C2)N(C)C ZINC001121288391 795612538 /nfs/dbraw/zinc/61/25/38/795612538.db2.gz FDCFYUHBYUFIJP-LMBQMVEXSA-N 1 3 309.498 2.390 20 0 DEADHO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCCN1CC1CC1 ZINC001182560614 795706412 /nfs/dbraw/zinc/70/64/12/795706412.db2.gz JMFQXNSGQJQEOQ-AEFFLSMTSA-N 1 3 319.493 2.384 20 0 DEADHO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCCN1CC1CC1 ZINC001182560614 795706414 /nfs/dbraw/zinc/70/64/14/795706414.db2.gz JMFQXNSGQJQEOQ-AEFFLSMTSA-N 1 3 319.493 2.384 20 0 DEADHO CCCC[NH2+]C[C@]1(C)CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001182615015 795722153 /nfs/dbraw/zinc/72/21/53/795722153.db2.gz UMZNWISUPHWNCW-SOLBZPMBSA-N 1 3 309.498 2.345 20 0 DEADHO CCCCC[NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001182751202 795739957 /nfs/dbraw/zinc/73/99/57/795739957.db2.gz WCRZOFIJMYNLLR-RHSMWYFYSA-N 1 3 306.454 2.217 20 0 DEADHO C[C@]1([NH3+])CCCN(CCOCCOCc2ccccc2)CC1 ZINC001205255012 795804060 /nfs/dbraw/zinc/80/40/60/795804060.db2.gz DPZRSTFQKYVAAD-SFHVURJKSA-N 1 3 306.450 2.423 20 0 DEADHO CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001183229376 795829079 /nfs/dbraw/zinc/82/90/79/795829079.db2.gz JIKIFLQKDPQKPE-MWWKQMNYSA-N 1 3 307.482 2.408 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H](NC/C=C/Cl)C2)C1 ZINC001185091280 796180220 /nfs/dbraw/zinc/18/02/20/796180220.db2.gz SKRRZYDWZOYLIW-HYBGQWMJSA-N 1 3 313.873 2.051 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H](NC/C=C/Cl)C2)C1 ZINC001185091280 796180223 /nfs/dbraw/zinc/18/02/23/796180223.db2.gz SKRRZYDWZOYLIW-HYBGQWMJSA-N 1 3 313.873 2.051 20 0 DEADHO CC(C)C[C@H](C)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001185447192 796270289 /nfs/dbraw/zinc/27/02/89/796270289.db2.gz XNSLVARWVCKNMZ-GVDBMIGSSA-N 1 3 311.514 2.445 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001185650636 796299272 /nfs/dbraw/zinc/29/92/72/796299272.db2.gz KJBMXCGNZVZLMK-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CCc2ccc(C)cc2)C1 ZINC001186487138 796408248 /nfs/dbraw/zinc/40/82/48/796408248.db2.gz HHGGHJIXFNWQPM-GOSISDBHSA-N 1 3 317.477 2.070 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CCC(C)(C)C)C2)CC1 ZINC001186555228 796416081 /nfs/dbraw/zinc/41/60/81/796416081.db2.gz LWERXEWXHKRVRG-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO Cn1c(=O)cc(CN2CC3(C2)CC[NH+](C)CC3)c2ccccc21 ZINC001139760428 796422369 /nfs/dbraw/zinc/42/23/69/796422369.db2.gz HWQXKERMCAWKMY-UHFFFAOYSA-N 1 3 311.429 2.066 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCC([NH2+]CCF)CC1 ZINC001202973476 796430234 /nfs/dbraw/zinc/43/02/34/796430234.db2.gz JEXQMGSQYZMXTE-UHFFFAOYSA-N 1 3 301.450 2.049 20 0 DEADHO CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203028333 796515039 /nfs/dbraw/zinc/51/50/39/796515039.db2.gz LTTIGPUZZGYYQM-LSDHHAIUSA-N 1 3 307.482 2.144 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001187323037 796518000 /nfs/dbraw/zinc/51/80/00/796518000.db2.gz VEASGJKRNAYYBJ-GOSISDBHSA-N 1 3 317.477 2.336 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001188146172 796632658 /nfs/dbraw/zinc/63/26/58/796632658.db2.gz XEJZFIDWYJPQOZ-MRXNPFEDSA-N 1 3 323.868 2.371 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001188145476 796632873 /nfs/dbraw/zinc/63/28/73/796632873.db2.gz ILFCRDSRBINRHF-QGZVFWFLSA-N 1 3 321.440 2.187 20 0 DEADHO CC[C@@H](F)CN[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001188346650 796660072 /nfs/dbraw/zinc/66/00/72/796660072.db2.gz UBUMVHHIFBDSFB-HZPDHXFCSA-N 1 3 313.461 2.191 20 0 DEADHO CN(C)C1(C)CN(C(=O)c2ccc(C3CC[NH+](C)CC3)cc2)C1 ZINC001188308741 796662112 /nfs/dbraw/zinc/66/21/12/796662112.db2.gz RBGODIBMYFBTKU-UHFFFAOYSA-N 1 3 315.461 2.272 20 0 DEADHO CC(C)C[N@H+]1CC=C(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001161219667 796693165 /nfs/dbraw/zinc/69/31/65/796693165.db2.gz KJICNCUHHRHDEC-INIZCTEOSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)C[N@@H+]1CC=C(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001161219667 796693170 /nfs/dbraw/zinc/69/31/70/796693170.db2.gz KJICNCUHHRHDEC-INIZCTEOSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001142584417 796752267 /nfs/dbraw/zinc/75/22/67/796752267.db2.gz WGFKEELEZATEBQ-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001142584417 796752271 /nfs/dbraw/zinc/75/22/71/796752271.db2.gz WGFKEELEZATEBQ-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CC3CCC3)C[C@H]21)N(CC)CC ZINC001189109584 796764675 /nfs/dbraw/zinc/76/46/75/796764675.db2.gz ATIYAGVIVJYVTK-RCCFBDPRSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CCC3)C[C@H]21)N(CC)CC ZINC001189109584 796764678 /nfs/dbraw/zinc/76/46/78/796764678.db2.gz ATIYAGVIVJYVTK-RCCFBDPRSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[NH+]1CCC(CN(C)Cc2cc3c(cn2)OCCO3)CC1 ZINC001143063965 796799171 /nfs/dbraw/zinc/79/91/71/796799171.db2.gz KMYPUKNPUPTRIE-UHFFFAOYSA-N 1 3 319.449 2.405 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]Cc1csc(C)c1 ZINC001161226968 796817455 /nfs/dbraw/zinc/81/74/55/796817455.db2.gz SAYRMWXZANEHSV-UHFFFAOYSA-N 1 3 311.495 2.383 20 0 DEADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cc2c(s1)CCCC2 ZINC001150820536 796982240 /nfs/dbraw/zinc/98/22/40/796982240.db2.gz XILNSAKPIAEWSA-UHFFFAOYSA-N 1 3 322.478 2.304 20 0 DEADHO CC/C=C/CC[N@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190645047 797048298 /nfs/dbraw/zinc/04/82/98/797048298.db2.gz POZGIPFHXZMUPG-MOEXGYKKSA-N 1 3 307.482 2.360 20 0 DEADHO CC/C=C/CC[N@@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190645047 797048302 /nfs/dbraw/zinc/04/83/02/797048302.db2.gz POZGIPFHXZMUPG-MOEXGYKKSA-N 1 3 307.482 2.360 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cc(C)sc1C ZINC001152479325 797194361 /nfs/dbraw/zinc/19/43/61/797194361.db2.gz FNVGNJMVVDKVHZ-INIZCTEOSA-N 1 3 323.506 2.445 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H](C)[N@H+](CC)CC=C(C)C ZINC001153659819 797372140 /nfs/dbraw/zinc/37/21/40/797372140.db2.gz BHXBAWTWULWKGN-HZPDHXFCSA-N 1 3 315.477 2.459 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H](C)[N@@H+](CC)CC=C(C)C ZINC001153659819 797372145 /nfs/dbraw/zinc/37/21/45/797372145.db2.gz BHXBAWTWULWKGN-HZPDHXFCSA-N 1 3 315.477 2.459 20 0 DEADHO CC[C@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001192377353 797376348 /nfs/dbraw/zinc/37/63/48/797376348.db2.gz KIYFMMRFRFTMRM-JKSUJKDBSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001192377353 797376353 /nfs/dbraw/zinc/37/63/53/797376353.db2.gz KIYFMMRFRFTMRM-JKSUJKDBSA-N 1 3 309.498 2.297 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)CCCC2CCC2)C1 ZINC001192968970 797484261 /nfs/dbraw/zinc/48/42/61/797484261.db2.gz FRVYZVYJXYBPRD-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001192968970 797484264 /nfs/dbraw/zinc/48/42/64/797484264.db2.gz FRVYZVYJXYBPRD-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@H](C)C[N@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193027249 797492302 /nfs/dbraw/zinc/49/23/02/797492302.db2.gz OHRVAKOUCYUSOB-RDJZCZTQSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193027249 797492305 /nfs/dbraw/zinc/49/23/05/797492305.db2.gz OHRVAKOUCYUSOB-RDJZCZTQSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N(C)Cc2cccc(F)c2)C1 ZINC001193278033 797537155 /nfs/dbraw/zinc/53/71/55/797537155.db2.gz CEZUYNIJQBROCT-KRWDZBQOSA-N 1 3 321.440 2.200 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)Cc2cccc(F)c2)C1 ZINC001193278033 797537159 /nfs/dbraw/zinc/53/71/59/797537159.db2.gz CEZUYNIJQBROCT-KRWDZBQOSA-N 1 3 321.440 2.200 20 0 DEADHO CC[N@H+](CC1CCC1)[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001154579812 797566321 /nfs/dbraw/zinc/56/63/21/797566321.db2.gz FXUCQMNQZODJLF-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@@H+](CC1CCC1)[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001154579812 797566326 /nfs/dbraw/zinc/56/63/26/797566326.db2.gz FXUCQMNQZODJLF-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+](CC[C@@H](C)F)[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001154579766 797566682 /nfs/dbraw/zinc/56/66/82/797566682.db2.gz CRPIHQPUPTWCOM-HUUCEWRRSA-N 1 3 315.477 2.436 20 0 DEADHO CC[N@@H+](CC[C@@H](C)F)[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001154579766 797566684 /nfs/dbraw/zinc/56/66/84/797566684.db2.gz CRPIHQPUPTWCOM-HUUCEWRRSA-N 1 3 315.477 2.436 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)CCCC2CCC2)C1 ZINC001194296053 797710942 /nfs/dbraw/zinc/71/09/42/797710942.db2.gz VCRJYLGVACRKRD-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001194296053 797710946 /nfs/dbraw/zinc/71/09/46/797710946.db2.gz VCRJYLGVACRKRD-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO c1cnc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)c(CN2CCCC2)c1 ZINC001155635353 797812454 /nfs/dbraw/zinc/81/24/54/797812454.db2.gz JEZPLGVTJVAGRI-WMZOPIPTSA-N 1 3 316.449 2.000 20 0 DEADHO C[NH+]1CCC(Oc2ccnc(N[C@H]3CN4CCC3CC4)c2)CC1 ZINC001155668500 797822192 /nfs/dbraw/zinc/82/21/92/797822192.db2.gz WNKYRUNOFTYUCR-KRWDZBQOSA-N 1 3 316.449 2.061 20 0 DEADHO C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCCN1C)c1ccccc1F ZINC001155802279 797851072 /nfs/dbraw/zinc/85/10/72/797851072.db2.gz JSFOHTLYIFKXDR-CJNGLKHVSA-N 1 3 307.413 2.077 20 0 DEADHO Cc1cc(C)cc(CN2CCCN(C(=O)CC[NH+](C)C)CC2)c1 ZINC001197029300 798140696 /nfs/dbraw/zinc/14/06/96/798140696.db2.gz RECQYEGBFSDAOL-UHFFFAOYSA-N 1 3 317.477 2.289 20 0 DEADHO CC[N@H+](Cc1cccc(F)c1)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157114324 798146028 /nfs/dbraw/zinc/14/60/28/798146028.db2.gz WLZGODAWEQWLRX-OAHLLOKOSA-N 1 3 323.456 2.493 20 0 DEADHO CC[N@@H+](Cc1cccc(F)c1)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157114324 798146030 /nfs/dbraw/zinc/14/60/30/798146030.db2.gz WLZGODAWEQWLRX-OAHLLOKOSA-N 1 3 323.456 2.493 20 0 DEADHO CC/C=C/CCN1CCCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001197158092 798156540 /nfs/dbraw/zinc/15/65/40/798156540.db2.gz GICJRLQXIODRQT-SDKBWNRFSA-N 1 3 307.482 2.075 20 0 DEADHO CC/C=C/CCN1CCCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001197158092 798156543 /nfs/dbraw/zinc/15/65/43/798156543.db2.gz GICJRLQXIODRQT-SDKBWNRFSA-N 1 3 307.482 2.075 20 0 DEADHO Cc1cc(CNCCNC(=O)CC[NH+]2CCCCC2)cs1 ZINC001152340692 798198696 /nfs/dbraw/zinc/19/86/96/798198696.db2.gz UNNLHWQZXBJGLP-UHFFFAOYSA-N 1 3 309.479 2.138 20 0 DEADHO C[C@@H]1c2ccccc2CCN1C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001157694556 798260915 /nfs/dbraw/zinc/26/09/15/798260915.db2.gz UWEVBISEHIJLPN-PBHICJAKSA-N 1 3 303.450 2.192 20 0 DEADHO C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H](c3ccccc3)N2)C[C@@H]1[NH3+] ZINC001157810746 798284781 /nfs/dbraw/zinc/28/47/81/798284781.db2.gz SZCPINNKQUWLBP-IWCQGFGOSA-N 1 3 301.434 2.066 20 0 DEADHO CC(C)N(C)CC(=O)NCC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC001152433201 798308932 /nfs/dbraw/zinc/30/89/32/798308932.db2.gz XEACULQFLOGHAK-GFCCVEGCSA-N 1 3 313.392 2.072 20 0 DEADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cc(C)cc2cc[nH]c21 ZINC001198714883 798389070 /nfs/dbraw/zinc/38/90/70/798389070.db2.gz UUHSBLSHTADGSV-UHFFFAOYSA-N 1 3 315.421 2.154 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CCC1CC1)N(C)C ZINC001158486733 798414538 /nfs/dbraw/zinc/41/45/38/798414538.db2.gz IOKMLEXAGLEGCH-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC1CC1)N(C)C ZINC001158486733 798414542 /nfs/dbraw/zinc/41/45/42/798414542.db2.gz IOKMLEXAGLEGCH-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001158522631 798421431 /nfs/dbraw/zinc/42/14/31/798421431.db2.gz WQXAXEFLGMIXPF-MRXNPFEDSA-N 1 3 306.454 2.311 20 0 DEADHO CC(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001158522631 798421434 /nfs/dbraw/zinc/42/14/34/798421434.db2.gz WQXAXEFLGMIXPF-MRXNPFEDSA-N 1 3 306.454 2.311 20 0 DEADHO CC(C)c1cc(N(C2CC[NH2+]CC2)C2CCN(C)CC2)ncn1 ZINC001158575649 798433173 /nfs/dbraw/zinc/43/31/73/798433173.db2.gz PJFCHFRQCYOCKU-UHFFFAOYSA-N 1 3 317.481 2.253 20 0 DEADHO CC(C)C[C@H](C)C[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001199787706 798538611 /nfs/dbraw/zinc/53/86/11/798538611.db2.gz COVGBCVVJDQFOX-RDJZCZTQSA-N 1 3 309.498 2.343 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001199788272 798538662 /nfs/dbraw/zinc/53/86/62/798538662.db2.gz NRMOWXAGODBXKF-QGZVFWFLSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001159580811 798584040 /nfs/dbraw/zinc/58/40/40/798584040.db2.gz ARBRPEDQVKVTGR-QGZVFWFLSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001159580811 798584043 /nfs/dbraw/zinc/58/40/43/798584043.db2.gz ARBRPEDQVKVTGR-QGZVFWFLSA-N 1 3 307.482 2.265 20 0 DEADHO CC1CC(C[N@H+]2CC=C(CCNC(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001159628398 798591117 /nfs/dbraw/zinc/59/11/17/798591117.db2.gz HSYXNGJASRRVOZ-VJFUWPCTSA-N 1 3 319.493 2.265 20 0 DEADHO CC1CC(C[N@@H+]2CC=C(CCNC(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001159628398 798591122 /nfs/dbraw/zinc/59/11/22/798591122.db2.gz HSYXNGJASRRVOZ-VJFUWPCTSA-N 1 3 319.493 2.265 20 0 DEADHO CN(CC(=O)NCCC[NH2+]Cc1ccc(CF)cc1)C1CCC1 ZINC001159997515 798637866 /nfs/dbraw/zinc/63/78/66/798637866.db2.gz PYLREMQYWPWVJK-UHFFFAOYSA-N 1 3 321.440 2.236 20 0 DEADHO CCCCN(Cc1ccccc1)C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160427634 798686357 /nfs/dbraw/zinc/68/63/57/798686357.db2.gz CLBLNNNLVSXCQJ-IEBWSBKVSA-N 1 3 315.461 2.014 20 0 DEADHO CN(C)Cc1ccnc(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)c1 ZINC001160743148 798734008 /nfs/dbraw/zinc/73/40/08/798734008.db2.gz MCJCPTUZCLMVLC-NWDGAFQWSA-N 1 3 302.344 2.096 20 0 DEADHO [NH3+]CCc1cn(-c2cc(Cl)nc3[nH]cnc32)c2ccncc12 ZINC001160945765 798767271 /nfs/dbraw/zinc/76/72/71/798767271.db2.gz KTXQOQKRDIFWQP-UHFFFAOYSA-N 1 3 312.764 2.451 20 0 DEADHO CN(C(=O)[C@@H](N)CCCc1ccccc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161060514 798789826 /nfs/dbraw/zinc/78/98/26/798789826.db2.gz BZISGWRMCPYPJX-YESZJQIVSA-N 1 3 303.450 2.065 20 0 DEADHO CC(C)N(C)CC(=O)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161423998 798852031 /nfs/dbraw/zinc/85/20/31/798852031.db2.gz VRCGQXVTTFNDHM-UHFFFAOYSA-N 1 3 303.450 2.107 20 0 DEADHO Cc1ccc([C@H](C)C(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)cc1 ZINC001161443244 798861395 /nfs/dbraw/zinc/86/13/95/798861395.db2.gz NSLNCQIFEISLIA-WMZOPIPTSA-N 1 3 317.477 2.241 20 0 DEADHO CCN(CC)CC(=O)NCCC1=CC[N@H+](CC=C(C)C)CC1 ZINC001161496872 798870222 /nfs/dbraw/zinc/87/02/22/798870222.db2.gz IXOXMJSQTHRNSG-UHFFFAOYSA-N 1 3 307.482 2.433 20 0 DEADHO CCN(CC)CC(=O)NCCC1=CC[N@@H+](CC=C(C)C)CC1 ZINC001161496872 798870229 /nfs/dbraw/zinc/87/02/29/798870229.db2.gz IXOXMJSQTHRNSG-UHFFFAOYSA-N 1 3 307.482 2.433 20 0 DEADHO CC/C=C/CC[NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001202495296 798979433 /nfs/dbraw/zinc/97/94/33/798979433.db2.gz CRIUQYQKRAXFEQ-DWTRPJMMSA-N 1 3 307.482 2.265 20 0 DEADHO C[C@H]1C[NH2+]CCC[C@H]1CNc1ccc2c(c1)COC21CNC1 ZINC001162471998 799096632 /nfs/dbraw/zinc/09/66/32/799096632.db2.gz SQUVQFCPYQSYGK-KBPBESRZSA-N 1 3 301.434 2.063 20 0 DEADHO CC(C)N1CCN(c2ccc(NC[C@H]3C[NH2+][C@H](C)C3)cn2)CC1 ZINC001162557814 799116330 /nfs/dbraw/zinc/11/63/30/799116330.db2.gz KDYDYZOZSTWUFM-HZPDHXFCSA-N 1 3 317.481 2.022 20 0 DEADHO CCC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)[C@@H](CC)N(C)C)[C@@H]2C1 ZINC001114463768 799128781 /nfs/dbraw/zinc/12/87/81/799128781.db2.gz LPCSXSPWFDIMSN-HAOQGZNSSA-N 1 3 307.482 2.119 20 0 DEADHO CCC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)[C@@H](CC)N(C)C)[C@@H]2C1 ZINC001114463768 799128785 /nfs/dbraw/zinc/12/87/85/799128785.db2.gz LPCSXSPWFDIMSN-HAOQGZNSSA-N 1 3 307.482 2.119 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N(C)CC ZINC001114488650 799147830 /nfs/dbraw/zinc/14/78/30/799147830.db2.gz QSXKRBDQNFJMFC-ZSHCYNCHSA-N 1 3 309.498 2.199 20 0 DEADHO CCC(CC)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N(C)CC ZINC001114488650 799147834 /nfs/dbraw/zinc/14/78/34/799147834.db2.gz QSXKRBDQNFJMFC-ZSHCYNCHSA-N 1 3 309.498 2.199 20 0 DEADHO CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](CC)N(C)C ZINC001162934954 799203553 /nfs/dbraw/zinc/20/35/53/799203553.db2.gz MNINNYGCIVAKLX-SFHVURJKSA-N 1 3 319.493 2.398 20 0 DEADHO Cc1ccc(N(C)C)c(NCC2(N(C)C)CC[NH+](C)CC2)c1 ZINC001164216691 799542881 /nfs/dbraw/zinc/54/28/81/799542881.db2.gz HYIRLMRIWCGVDJ-UHFFFAOYSA-N 1 3 304.482 2.499 20 0 DEADHO CN(Cc1ccc(-n2ccnc2[C@H]2CCC[NH2+]C2)nc1)C1CC1 ZINC001165144791 799662715 /nfs/dbraw/zinc/66/27/15/799662715.db2.gz SNYAIKLKEDTALB-HNNXBMFYSA-N 1 3 311.433 2.329 20 0 DEADHO CC(C)=CC[NH2+]CC1(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001165485245 799736793 /nfs/dbraw/zinc/73/67/93/799736793.db2.gz QGDXRUZOLYRHMF-INIZCTEOSA-N 1 3 307.482 2.169 20 0 DEADHO Cc1ccc(F)c(C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001166010598 799812988 /nfs/dbraw/zinc/81/29/88/799812988.db2.gz PKVZZCMMKZOPGX-QGZVFWFLSA-N 1 3 323.456 2.316 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166010908 799813069 /nfs/dbraw/zinc/81/30/69/799813069.db2.gz UZRGZFXPHZDWCG-QGZVFWFLSA-N 1 3 323.456 2.316 20 0 DEADHO CSCC1CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000932586837 799852360 /nfs/dbraw/zinc/85/23/60/799852360.db2.gz BPSGDGOVYNUNJZ-UHFFFAOYSA-N 1 3 313.555 2.478 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CCCc1ccccc1 ZINC001166645010 799909864 /nfs/dbraw/zinc/90/98/64/799909864.db2.gz LODNSZCGBYSYDN-KRWDZBQOSA-N 1 3 317.477 2.199 20 0 DEADHO C[C@@H]([NH2+]CCCNC(=O)CN1CC[C@H](C)C1)c1ccccc1 ZINC001166677333 799917664 /nfs/dbraw/zinc/91/76/64/799917664.db2.gz HSQUIEDSTSCRKW-JKSUJKDBSA-N 1 3 303.450 2.185 20 0 DEADHO CC[C@H](F)C[NH2+]CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001166687567 799922221 /nfs/dbraw/zinc/92/22/21/799922221.db2.gz WZXAGSMSOXNRSN-BBRMVZONSA-N 1 3 319.440 2.043 20 0 DEADHO CN(CC(=O)NCCC[NH2+]CC1CC(F)(F)C1)CC(C)(C)C ZINC001166744172 799938196 /nfs/dbraw/zinc/93/81/96/799938196.db2.gz KZYGFURGDDBPFD-UHFFFAOYSA-N 1 3 319.440 2.106 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCC2CC2)C12CCC2 ZINC001203650931 800099054 /nfs/dbraw/zinc/09/90/54/800099054.db2.gz KLLDKNYLVAIKDL-HZPDHXFCSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)=CC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203794722 800123662 /nfs/dbraw/zinc/12/36/62/800123662.db2.gz XZFUCPJIEATPEZ-JKSUJKDBSA-N 1 3 307.482 2.310 20 0 DEADHO CC[C@H](C)C[NH2+]C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001203903822 800144277 /nfs/dbraw/zinc/14/42/77/800144277.db2.gz OQWSBCIORVSCIG-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCC(C)(C)C)CC1 ZINC001204793261 800257803 /nfs/dbraw/zinc/25/78/03/800257803.db2.gz DFFLNSGTOYKIIB-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1ccc(CN(C)C)cc1NC(=O)COC1CC[NH+](C)CC1 ZINC000934169451 800281592 /nfs/dbraw/zinc/28/15/92/800281592.db2.gz PRKQWEHNIBFYNF-UHFFFAOYSA-N 1 3 319.449 2.106 20 0 DEADHO C[NH+](C)Cc1ccc(-c2noc([C@H]3CCNC[C@@H]3F)n2)cc1 ZINC001205220636 800320275 /nfs/dbraw/zinc/32/02/75/800320275.db2.gz ZDZGELIFJOMFAZ-KBPBESRZSA-N 1 3 304.369 2.213 20 0 DEADHO CN(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000934336696 800327412 /nfs/dbraw/zinc/32/74/12/800327412.db2.gz BSWSXHIKNYOHIS-BZSNNMDCSA-N 1 3 315.461 2.280 20 0 DEADHO CN(C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000934336696 800327419 /nfs/dbraw/zinc/32/74/19/800327419.db2.gz BSWSXHIKNYOHIS-BZSNNMDCSA-N 1 3 315.461 2.280 20 0 DEADHO C[C@H]1CCN(Cc2cc(F)cc3c2OCOC3)CC[C@@H]1C[NH3+] ZINC001205625658 800388892 /nfs/dbraw/zinc/38/88/92/800388892.db2.gz CFHRUFXKEIAUST-QWHCGFSZSA-N 1 3 308.397 2.499 20 0 DEADHO CC[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1c1ccccc1F ZINC001205664268 800396352 /nfs/dbraw/zinc/39/63/52/800396352.db2.gz PMYWONMZNYNPPY-DOTOQJQBSA-N 1 3 321.440 2.071 20 0 DEADHO NC[C@@]1(O)CCCC[N@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC001205673982 800399683 /nfs/dbraw/zinc/39/96/83/800399683.db2.gz WYIKBHPFNIGLLU-IBGZPJMESA-N 1 3 311.429 2.424 20 0 DEADHO NC[C@@]1(O)CCCC[N@@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC001205673982 800399691 /nfs/dbraw/zinc/39/96/91/800399691.db2.gz WYIKBHPFNIGLLU-IBGZPJMESA-N 1 3 311.429 2.424 20 0 DEADHO [NH3+]C[C@@]1(O)CCCCN(Cc2cccc(-c3ccncc3)c2)C1 ZINC001205673982 800399698 /nfs/dbraw/zinc/39/96/98/800399698.db2.gz WYIKBHPFNIGLLU-IBGZPJMESA-N 1 3 311.429 2.424 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC(C[NH2+]CCC2CC2)CC1 ZINC001206275188 800500138 /nfs/dbraw/zinc/50/01/38/800500138.db2.gz POQOOOBTJWKNHX-HNNXBMFYSA-N 1 3 307.482 2.099 20 0 DEADHO CCn1ncc2c1[C@H](COC)CN(CC1(C)CC[NH+](C)CC1)C2 ZINC001208110463 800914367 /nfs/dbraw/zinc/91/43/67/800914367.db2.gz SUMOBUFYGKJBRS-INIZCTEOSA-N 1 3 320.481 2.181 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]CCC(F)(F)F)C2)CCC1 ZINC001208330594 800956366 /nfs/dbraw/zinc/95/63/66/800956366.db2.gz AJICUBDLNKFRFR-GFCCVEGCSA-N 1 3 321.387 2.004 20 0 DEADHO CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208331969 800956428 /nfs/dbraw/zinc/95/64/28/800956428.db2.gz ZGAYPWXKYNHZOL-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCCCCF)C1)C1CC1 ZINC001208334131 800957336 /nfs/dbraw/zinc/95/73/36/800957336.db2.gz FXEOXTWYFUBOJU-JKSUJKDBSA-N 1 3 313.461 2.047 20 0 DEADHO CN(CC(=O)N1CCC[C@H]([NH2+]CCCCCF)C1)C1CCC1 ZINC001208339469 800959528 /nfs/dbraw/zinc/95/95/28/800959528.db2.gz AGYOTFSYPHVNQE-HNNXBMFYSA-N 1 3 313.461 2.191 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCCCCF)C1)N(C)C ZINC001208414841 800979341 /nfs/dbraw/zinc/97/93/41/800979341.db2.gz YRWXCGKPDZYJQD-LSDHHAIUSA-N 1 3 301.450 2.047 20 0 DEADHO C[N@@H+]1CCC[C@H](CN(Cc2cccnc2)C2CCOCC2)C1 ZINC001208605511 801027314 /nfs/dbraw/zinc/02/73/14/801027314.db2.gz AYDGYEKILJQOJQ-KRWDZBQOSA-N 1 3 303.450 2.404 20 0 DEADHO C[N@H+]1CCC[C@H](CN(Cc2cccnc2)C2CCOCC2)C1 ZINC001208605511 801027320 /nfs/dbraw/zinc/02/73/20/801027320.db2.gz AYDGYEKILJQOJQ-KRWDZBQOSA-N 1 3 303.450 2.404 20 0 DEADHO CN(C)C(=O)CCN(C)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208940088 801098258 /nfs/dbraw/zinc/09/82/58/801098258.db2.gz OYRRZGJTXBRSHR-GOSISDBHSA-N 1 3 317.477 2.309 20 0 DEADHO CN(C)C(=O)CCN(C)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208940088 801098262 /nfs/dbraw/zinc/09/82/62/801098262.db2.gz OYRRZGJTXBRSHR-GOSISDBHSA-N 1 3 317.477 2.309 20 0 DEADHO OC[C@H]1C[N@H+](C[C@@H]2CCN(Cc3ccccc3)C2)CCC1(F)F ZINC001208948460 801099973 /nfs/dbraw/zinc/09/99/73/801099973.db2.gz QMYBTNRQXDXSJV-IAGOWNOFSA-N 1 3 324.415 2.458 20 0 DEADHO OC[C@H]1C[N@@H+](C[C@@H]2CCN(Cc3ccccc3)C2)CCC1(F)F ZINC001208948460 801099976 /nfs/dbraw/zinc/09/99/76/801099976.db2.gz QMYBTNRQXDXSJV-IAGOWNOFSA-N 1 3 324.415 2.458 20 0 DEADHO C[C@@H]1CO[C@@H]2CN(C[C@H]3CC[N@H+](Cc4ccccc4)C3)C[C@H]12 ZINC001208953467 801101196 /nfs/dbraw/zinc/10/11/96/801101196.db2.gz PFHHKJNLLXQACY-QXCFHYIPSA-N 1 3 300.446 2.475 20 0 DEADHO C[C@@H]1CO[C@@H]2CN(C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@H]12 ZINC001208953467 801101199 /nfs/dbraw/zinc/10/11/99/801101199.db2.gz PFHHKJNLLXQACY-QXCFHYIPSA-N 1 3 300.446 2.475 20 0 DEADHO CN1CC2(C1)CC[NH+](C[C@@H]1CCN1C(=O)OC(C)(C)C)CC2 ZINC001209005263 801110199 /nfs/dbraw/zinc/11/01/99/801110199.db2.gz RZWAIDDIGBGHON-AWEZNQCLSA-N 1 3 309.454 2.023 20 0 DEADHO CC(C)C(=O)N1CC[C@@H]2C[N@H+](CCCN3CCCCC3)CC[C@H]21 ZINC001209450130 801192536 /nfs/dbraw/zinc/19/25/36/801192536.db2.gz JPUCBZFOGVWSOD-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C(=O)N1CC[C@@H]2C[N@@H+](CCCN3CCCCC3)CC[C@H]21 ZINC001209450130 801192540 /nfs/dbraw/zinc/19/25/40/801192540.db2.gz JPUCBZFOGVWSOD-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C[NH+]1CCC2(CN(C)C2)CC1)NC(=O)OC(C)(C)C ZINC001209466406 801196739 /nfs/dbraw/zinc/19/67/39/801196739.db2.gz NOLOZKMPFLRUET-CQSZACIVSA-N 1 3 311.470 2.317 20 0 DEADHO CC[N@H+](CCCN(C)C)Cc1ccc(OC)c(OC(C)=O)c1 ZINC001231710579 801719943 /nfs/dbraw/zinc/71/99/43/801719943.db2.gz OCHYHBHAQMCJOP-UHFFFAOYSA-N 1 3 308.422 2.394 20 0 DEADHO CC[N@@H+](CCCN(C)C)Cc1ccc(OC)c(OC(C)=O)c1 ZINC001231710579 801719946 /nfs/dbraw/zinc/71/99/46/801719946.db2.gz OCHYHBHAQMCJOP-UHFFFAOYSA-N 1 3 308.422 2.394 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC(C)(C)C)C1)N(C)C ZINC001214905011 801774562 /nfs/dbraw/zinc/77/45/62/801774562.db2.gz UHSHXNHPEKLLMH-OAGGEKHMSA-N 1 3 311.514 2.445 20 0 DEADHO CN(C)Cc1cc(F)cc(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c1 ZINC001232146707 801801175 /nfs/dbraw/zinc/80/11/75/801801175.db2.gz ZQGHCRWFGOFJFD-FZDBZEDMSA-N 1 3 304.409 2.497 20 0 DEADHO CN(C)Cc1cc(F)cc(C[N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c1 ZINC001232146707 801801183 /nfs/dbraw/zinc/80/11/83/801801183.db2.gz ZQGHCRWFGOFJFD-FZDBZEDMSA-N 1 3 304.409 2.497 20 0 DEADHO CC/C=C\CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001215541249 801873177 /nfs/dbraw/zinc/87/31/77/801873177.db2.gz WMKKYZMMIMTDCH-WCKKIIIDSA-N 1 3 307.482 2.121 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccsc2)C1 ZINC001216510908 801982186 /nfs/dbraw/zinc/98/21/86/801982186.db2.gz CYNMPZDDPMLCJE-UKRRQHHQSA-N 1 3 309.479 2.026 20 0 DEADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1[NH2+]CCCF ZINC001216829281 802029627 /nfs/dbraw/zinc/02/96/27/802029627.db2.gz UONMXBGQUGZONU-RHSMWYFYSA-N 1 3 321.440 2.158 20 0 DEADHO [NH3+]C12CCC(C(=O)Nc3cc([C@H]4CCCN4)no3)(CC1)CC2 ZINC001218710162 802230635 /nfs/dbraw/zinc/23/06/35/802230635.db2.gz BZAAOKLFGOZQGS-VHWKEVPUSA-N 1 3 304.394 2.089 20 0 DEADHO CCOc1ccc(C)cc1NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001218850676 802249098 /nfs/dbraw/zinc/24/90/98/802249098.db2.gz OMZAQFSCXHQAPF-AWEZNQCLSA-N 1 3 307.438 2.391 20 0 DEADHO Cc1c(C)c(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)ccc1O ZINC001218944339 802263169 /nfs/dbraw/zinc/26/31/69/802263169.db2.gz CHGZUHUPHODRJG-AWEZNQCLSA-N 1 3 307.438 2.443 20 0 DEADHO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C[C@@H]1Cc2ccccc2CN1 ZINC001220221133 802427970 /nfs/dbraw/zinc/42/79/70/802427970.db2.gz RQCQFUIGAXMLHV-BZSNNMDCSA-N 1 3 315.461 2.080 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)N(C)C[C@H]1CC[N@@H+]1CCC(C)C ZINC001234644654 802439387 /nfs/dbraw/zinc/43/93/87/802439387.db2.gz WJKQUXFOPKJHGZ-CVEARBPZSA-N 1 3 315.477 2.245 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)N(C)C[C@H]1CC[N@H+]1CCC(C)C ZINC001234644654 802439391 /nfs/dbraw/zinc/43/93/91/802439391.db2.gz WJKQUXFOPKJHGZ-CVEARBPZSA-N 1 3 315.477 2.245 20 0 DEADHO [NH3+]C1(CNC(=O)[C@H]2CCC[C@H](c3ccccc3)N2)CCCC1 ZINC001220496379 802467548 /nfs/dbraw/zinc/46/75/48/802467548.db2.gz BNBSMUOISCVJES-HZPDHXFCSA-N 1 3 301.434 2.258 20 0 DEADHO c1ccc2c(c1)OC[C@@H](CN1CCC([C@H]3CCC[NH2+]3)CC1)O2 ZINC000316305418 802506524 /nfs/dbraw/zinc/50/65/24/802506524.db2.gz WOPFFBOMGWUEQD-HZPDHXFCSA-N 1 3 302.418 2.290 20 0 DEADHO CN(CC(=O)N1CCCc2ccccc21)C1CCC([NH3+])CC1 ZINC000316670250 802520245 /nfs/dbraw/zinc/52/02/45/802520245.db2.gz DCUGATGLFGLMIY-UHFFFAOYSA-N 1 3 301.434 2.168 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221030605 802522534 /nfs/dbraw/zinc/52/25/34/802522534.db2.gz GWMQPWZSBVEJCX-GOSISDBHSA-N 1 3 321.440 2.323 20 0 DEADHO CC(C)Cc1ccc([C@@H](C)NC(=O)[C@H](N)C2CC[NH2+]CC2)cc1 ZINC001221295929 802551048 /nfs/dbraw/zinc/55/10/48/802551048.db2.gz UHTFBQPPWVGZGY-RDTXWAMCSA-N 1 3 317.477 2.389 20 0 DEADHO CCOC(=O)[C@@]12CN(CCc3ccccc3)C[C@@H]1C[NH2+]CCC2 ZINC001222125649 802647229 /nfs/dbraw/zinc/64/72/29/802647229.db2.gz SJZBZGHDJWJGCO-HKUYNNGSSA-N 1 3 316.445 2.094 20 0 DEADHO CCOC(=O)[C@@]12C[N@H+](CCc3ccccc3)C[C@@H]1CNCCC2 ZINC001222125649 802647231 /nfs/dbraw/zinc/64/72/31/802647231.db2.gz SJZBZGHDJWJGCO-HKUYNNGSSA-N 1 3 316.445 2.094 20 0 DEADHO CCOC(=O)[C@@]12C[N@@H+](CCc3ccccc3)C[C@@H]1CNCCC2 ZINC001222125649 802647234 /nfs/dbraw/zinc/64/72/34/802647234.db2.gz SJZBZGHDJWJGCO-HKUYNNGSSA-N 1 3 316.445 2.094 20 0 DEADHO CC(C)=CCC[C@H](C)CC[N@@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001222521519 802700537 /nfs/dbraw/zinc/70/05/37/802700537.db2.gz ULMRLVGZUHYCQP-LPHOPBHVSA-N 1 3 319.493 2.171 20 0 DEADHO CC(C)=CCC[C@H](C)CC[N@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001222521519 802700542 /nfs/dbraw/zinc/70/05/42/802700542.db2.gz ULMRLVGZUHYCQP-LPHOPBHVSA-N 1 3 319.493 2.171 20 0 DEADHO CC(C)(C(=O)NCC1CC[NH+](CC2CC2)CC1)N1CCCC1 ZINC001224025880 802830631 /nfs/dbraw/zinc/83/06/31/802830631.db2.gz XPFFGDMEUQFZNP-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCF ZINC001226162012 803064265 /nfs/dbraw/zinc/06/42/65/803064265.db2.gz UROYYODAVLLWPX-OAGGEKHMSA-N 1 3 313.461 2.236 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001417618278 1167088068 /nfs/dbraw/zinc/08/80/68/1167088068.db2.gz QULNGYICHKHYRG-NUJGCVRESA-N 1 3 309.498 2.486 20 0 DEADHO CCCN(C(=O)CN(C)C(C)C)C1CC[NH+](CC2CC2)CC1 ZINC001417960375 1167329384 /nfs/dbraw/zinc/32/93/84/1167329384.db2.gz VLJSAVXGKFONDZ-UHFFFAOYSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(Cl)cc1 ZINC001418234277 1167508287 /nfs/dbraw/zinc/50/82/87/1167508287.db2.gz KMTJUOPVRMBXHB-CYBMUJFWSA-N 1 3 323.868 2.419 20 0 DEADHO C[C@@H](CCC[NH2+]CC1CCCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001330917511 1149332307 /nfs/dbraw/zinc/33/23/07/1149332307.db2.gz QNXAWEZZSLHZNK-CVEARBPZSA-N 1 3 309.498 2.393 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CC1CC(C)C1 ZINC001419056693 1168162297 /nfs/dbraw/zinc/16/22/97/1168162297.db2.gz FWAPWPDGUVZSNH-GQGLESIBSA-N 1 3 307.482 2.050 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CC1CC(C)C1 ZINC001419056693 1168162302 /nfs/dbraw/zinc/16/23/02/1168162302.db2.gz FWAPWPDGUVZSNH-GQGLESIBSA-N 1 3 307.482 2.050 20 0 DEADHO C[C@H](CC[NH2+]C[C@H](O)c1ccccc1Br)N(C)C ZINC001335422335 1150411866 /nfs/dbraw/zinc/41/18/66/1150411866.db2.gz QORZPUHRYSHCBO-RISCZKNCSA-N 1 3 315.255 2.412 20 0 DEADHO CC(C)(C)OC(=O)NOCCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001335567672 1150457961 /nfs/dbraw/zinc/45/79/61/1150457961.db2.gz KEPOFCFMJSJDAK-ZIAGYGMSSA-N 1 3 313.442 2.049 20 0 DEADHO CC(C)(C)OC(=O)NOCCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001335567672 1150457974 /nfs/dbraw/zinc/45/79/74/1150457974.db2.gz KEPOFCFMJSJDAK-ZIAGYGMSSA-N 1 3 313.442 2.049 20 0 DEADHO C[C@H]([NH2+]C/C=C/Cl)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001368348035 1148420890 /nfs/dbraw/zinc/42/08/90/1148420890.db2.gz YRCYPZNXVKCWRS-JFILWDKHSA-N 1 3 313.873 2.050 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@@H](C)[NH2+]CCC2CC2)CC1 ZINC001404407484 1163618652 /nfs/dbraw/zinc/61/86/52/1163618652.db2.gz PXSAOFMYWOLOSL-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)C/C=C\c1ccccc1)N(C)C ZINC001368952378 1148804084 /nfs/dbraw/zinc/80/40/84/1148804084.db2.gz KFNXFTDMSBEIGU-UDZWXDPDSA-N 1 3 317.477 2.477 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)C/C=C\c1ccccc1)N(C)C ZINC001368952378 1148804085 /nfs/dbraw/zinc/80/40/85/1148804085.db2.gz KFNXFTDMSBEIGU-UDZWXDPDSA-N 1 3 317.477 2.477 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001368521242 1148476167 /nfs/dbraw/zinc/47/61/67/1148476167.db2.gz KQQVPQKAKFYQJB-SFHVURJKSA-N 1 3 317.477 2.499 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001368521242 1148476172 /nfs/dbraw/zinc/47/61/72/1148476172.db2.gz KQQVPQKAKFYQJB-SFHVURJKSA-N 1 3 317.477 2.499 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CCCC1 ZINC001453535658 1057307605 /nfs/dbraw/zinc/30/76/05/1057307605.db2.gz TVFBWZLPZSMIKB-MRXNPFEDSA-N 1 3 307.482 2.384 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CCCC1 ZINC001453535658 1057307611 /nfs/dbraw/zinc/30/76/11/1057307611.db2.gz TVFBWZLPZSMIKB-MRXNPFEDSA-N 1 3 307.482 2.384 20 0 DEADHO Cn1nnc2cc(CNCc3cccc(C[NH+](C)C)c3)ccc21 ZINC001461034964 1058575855 /nfs/dbraw/zinc/57/58/55/1058575855.db2.gz KNYSKKMERHRGHA-UHFFFAOYSA-N 1 3 309.417 2.320 20 0 DEADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cc2ccccc2n(C)c1=O ZINC001462204179 1058779505 /nfs/dbraw/zinc/77/95/05/1058779505.db2.gz SEXPHVQDFXYWMI-RHSMWYFYSA-N 1 3 313.445 2.311 20 0 DEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1cc2ccccc2n(C)c1=O ZINC001462204179 1058779520 /nfs/dbraw/zinc/77/95/20/1058779520.db2.gz SEXPHVQDFXYWMI-RHSMWYFYSA-N 1 3 313.445 2.311 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001502753544 1060273685 /nfs/dbraw/zinc/27/36/85/1060273685.db2.gz BFIAPHKJTJSCHO-AEFFLSMTSA-N 1 3 317.477 2.273 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001502761465 1060280209 /nfs/dbraw/zinc/28/02/09/1060280209.db2.gz ASJWMOHQNOVNRB-PBHICJAKSA-N 1 3 321.440 2.102 20 0 DEADHO CC/C=C/CC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001505409190 1060545739 /nfs/dbraw/zinc/54/57/39/1060545739.db2.gz LDKJPDQPZCEIHB-CWDCEQMOSA-N 1 3 304.438 2.279 20 0 DEADHO CCOC(=O)c1[nH]c(C)c(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)c1C ZINC001474303231 1060847236 /nfs/dbraw/zinc/84/72/36/1060847236.db2.gz USHHBGBTDDUJKX-CWRNSKLLSA-N 1 3 319.449 2.238 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001505737179 1060916108 /nfs/dbraw/zinc/91/61/08/1060916108.db2.gz BHTNQBXQAOIBJD-NEPJUHHUSA-N 1 3 306.454 2.180 20 0 DEADHO Cc1cc(C[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)C(C)C)cs1 ZINC001505761011 1060938669 /nfs/dbraw/zinc/93/86/69/1060938669.db2.gz QFGSPRGGWAGFRZ-KGLIPLIRSA-N 1 3 311.495 2.380 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC(C)C)C1 ZINC001479368537 1061417905 /nfs/dbraw/zinc/41/79/05/1061417905.db2.gz JTROTDFSTRNDMW-BRWVUGGUSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001479400553 1061439468 /nfs/dbraw/zinc/43/94/68/1061439468.db2.gz RSMAHGTXUDSLSY-KKUMJFAQSA-N 1 3 315.477 2.197 20 0 DEADHO Cc1ccccc1C[N@@H+](C)[C@@H](C)CNC(=O)CN(C)C(C)C ZINC001506065215 1061636356 /nfs/dbraw/zinc/63/63/56/1061636356.db2.gz LPBBVQQVTSUQFP-INIZCTEOSA-N 1 3 305.466 2.272 20 0 DEADHO Cc1ccccc1C[N@H+](C)[C@@H](C)CNC(=O)CN(C)C(C)C ZINC001506065215 1061636368 /nfs/dbraw/zinc/63/63/68/1061636368.db2.gz LPBBVQQVTSUQFP-INIZCTEOSA-N 1 3 305.466 2.272 20 0 DEADHO CC[N@H+](CCCNC(=O)CN1CC[C@H](C)C1)Cc1ccsc1 ZINC001479854975 1061921786 /nfs/dbraw/zinc/92/17/86/1061921786.db2.gz QNNKLCYHMKFDPO-HNNXBMFYSA-N 1 3 323.506 2.418 20 0 DEADHO CC[N@@H+](CCCNC(=O)CN1CC[C@H](C)C1)Cc1ccsc1 ZINC001479854975 1061921803 /nfs/dbraw/zinc/92/18/03/1061921803.db2.gz QNNKLCYHMKFDPO-HNNXBMFYSA-N 1 3 323.506 2.418 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001479911803 1062044614 /nfs/dbraw/zinc/04/46/14/1062044614.db2.gz QBGLRNPNAXOMFH-KRWDZBQOSA-N 1 3 303.450 2.109 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001479911803 1062044637 /nfs/dbraw/zinc/04/46/37/1062044637.db2.gz QBGLRNPNAXOMFH-KRWDZBQOSA-N 1 3 303.450 2.109 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001479986482 1062148298 /nfs/dbraw/zinc/14/82/98/1062148298.db2.gz KVWICJSRRYPSME-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CN(CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC3CC3)C[C@H]21)CC(C)(C)C ZINC001506820373 1062409186 /nfs/dbraw/zinc/40/91/86/1062409186.db2.gz WJIJWPVEWLWUPY-OSYLJGHBSA-N 1 3 321.509 2.058 20 0 DEADHO CN(CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCC3CC3)C[C@H]21)CC(C)(C)C ZINC001506820373 1062409196 /nfs/dbraw/zinc/40/91/96/1062409196.db2.gz WJIJWPVEWLWUPY-OSYLJGHBSA-N 1 3 321.509 2.058 20 0 DEADHO CCCCC[NH2+]C[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001480296463 1062601199 /nfs/dbraw/zinc/60/11/99/1062601199.db2.gz XGALHKPTYLXARE-DLBZAZTESA-N 1 3 309.498 2.347 20 0 DEADHO CC(C)[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](C)N1CCCCCC1 ZINC001507026242 1062689916 /nfs/dbraw/zinc/68/99/16/1062689916.db2.gz GRZKZQODANBEOC-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[NH2+]CC[C@H](C)F ZINC001480366642 1062721860 /nfs/dbraw/zinc/72/18/60/1062721860.db2.gz BJCTXWCFAQRATR-GJZGRUSLSA-N 1 3 301.450 2.045 20 0 DEADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001507087177 1062808575 /nfs/dbraw/zinc/80/85/75/1062808575.db2.gz DRDWASJYONOMAJ-HNNXBMFYSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)c1cccc(CN[C@@H](C)CN(C)C(=O)CC[NH+](C)C)n1 ZINC001507117357 1062864005 /nfs/dbraw/zinc/86/40/05/1062864005.db2.gz HFBFWFPUEFQNIV-HNNXBMFYSA-N 1 3 320.481 2.093 20 0 DEADHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC001480678997 1063178980 /nfs/dbraw/zinc/17/89/80/1063178980.db2.gz FJAGILZUULRZOK-GOSISDBHSA-N 1 3 321.509 2.491 20 0 DEADHO CC[NH2+]C[C@@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)(C)C ZINC001508026860 1063500354 /nfs/dbraw/zinc/50/03/54/1063500354.db2.gz XGTGGQZPMRATLX-DYVFJYSZSA-N 1 3 315.477 2.339 20 0 DEADHO C[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC2CC2)C1)N1CCCCCC1 ZINC001493240941 1063664918 /nfs/dbraw/zinc/66/49/18/1063664918.db2.gz PQVONJZOCXIJSD-RDJZCZTQSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCCCCC1 ZINC001493240941 1063664925 /nfs/dbraw/zinc/66/49/25/1063664925.db2.gz PQVONJZOCXIJSD-RDJZCZTQSA-N 1 3 307.482 2.099 20 0 DEADHO Cc1ccc(C[NH2+]CCN(C)C(=O)CN(C)C2CCC2)cc1C ZINC001567509180 1064230074 /nfs/dbraw/zinc/23/00/74/1064230074.db2.gz VUYRJAAYKJFOMX-UHFFFAOYSA-N 1 3 317.477 2.336 20 0 DEADHO CC(C)C[C@](C)(C[NH3+])C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC001650334263 1079535597 /nfs/dbraw/zinc/53/55/97/1079535597.db2.gz ZXSKZDHVQMHRGB-FUHWJXTLSA-N 1 3 305.466 2.417 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCF)CC1 ZINC001568105649 1064649169 /nfs/dbraw/zinc/64/91/69/1064649169.db2.gz TXEXLHZUAGUKIH-JYJNAYRXSA-N 1 3 313.461 2.236 20 0 DEADHO Cc1ccc(CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCN2C)cc1 ZINC001568262573 1064737774 /nfs/dbraw/zinc/73/77/74/1064737774.db2.gz LCVNRSFZNSBYIH-AEFFLSMTSA-N 1 3 317.477 2.068 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@](C)(C[NH2+]CC1CCCC1)C1CC1 ZINC001495296120 1064815128 /nfs/dbraw/zinc/81/51/28/1064815128.db2.gz BYJIKSZOFACHLG-SFHVURJKSA-N 1 3 318.465 2.325 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)NCc2ccc(CNC/C=C\Cl)cc2)C1 ZINC001495498576 1064947742 /nfs/dbraw/zinc/94/77/42/1064947742.db2.gz VMJXAZJYSSLIMK-YTMPYJOOSA-N 1 3 321.852 2.097 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)NCc2ccc(CNC/C=C\Cl)cc2)C1 ZINC001495498576 1064947753 /nfs/dbraw/zinc/94/77/53/1064947753.db2.gz VMJXAZJYSSLIMK-YTMPYJOOSA-N 1 3 321.852 2.097 20 0 DEADHO CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC1CC(C)(C)C1)N(C)C ZINC001496149702 1065307178 /nfs/dbraw/zinc/30/71/78/1065307178.db2.gz GWDBJWLGGGMHKK-GOEBONIOSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)CCC[NH2+]CC1CC(C)(C)C1)N(C)C ZINC001569211458 1065369708 /nfs/dbraw/zinc/36/97/08/1065369708.db2.gz CEUPXMJIAZOKSC-INIZCTEOSA-N 1 3 311.514 2.447 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]C/C=C/Cl ZINC001496402708 1065450185 /nfs/dbraw/zinc/45/01/85/1065450185.db2.gz DDFRJQVXPDYFTQ-BKILABGBSA-N 1 3 313.873 2.194 20 0 DEADHO CC(C)[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]C/C=C/Cl ZINC001496570162 1065568004 /nfs/dbraw/zinc/56/80/04/1065568004.db2.gz NIUGZXWXRRZWHU-NCRJZKAISA-N 1 3 303.878 2.056 20 0 DEADHO CC(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001496866014 1065765609 /nfs/dbraw/zinc/76/56/09/1065765609.db2.gz ZWRQABPLKKIKDN-NVXWUHKLSA-N 1 3 318.465 2.311 20 0 DEADHO CC(C)CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001496866014 1065765619 /nfs/dbraw/zinc/76/56/19/1065765619.db2.gz ZWRQABPLKKIKDN-NVXWUHKLSA-N 1 3 318.465 2.311 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001569968536 1065845890 /nfs/dbraw/zinc/84/58/90/1065845890.db2.gz KRNCIGLHIQKXBN-WBVHZDCISA-N 1 3 321.509 2.345 20 0 DEADHO Cc1cc(C[NH2+]C/C=C\CNC(=O)CN(C)C2CCC2)cs1 ZINC001497596243 1066183936 /nfs/dbraw/zinc/18/39/36/1066183936.db2.gz IRRCDZPQEQMKLR-ARJAWSKDSA-N 1 3 321.490 2.303 20 0 DEADHO CC(C)(N)c1cc(CN2CCC([NH+]3CCCCC3)CC2)on1 ZINC001575365020 1066275886 /nfs/dbraw/zinc/27/58/86/1066275886.db2.gz AXPLWJZZIHUVAV-UHFFFAOYSA-N 1 3 306.454 2.319 20 0 DEADHO CC(C)[C@@H](CN)C[NH2+]CCCCn1cc(Br)cn1 ZINC001575422776 1066296987 /nfs/dbraw/zinc/29/69/87/1066296987.db2.gz LZOYRWBHDFVPGY-LBPRGKRZSA-N 1 3 317.275 2.246 20 0 DEADHO C[C@H]1CN(C(=O)[C@@H](C[NH3+])c2ccccc2)CCN1C1CCCC1 ZINC001576760517 1066682080 /nfs/dbraw/zinc/68/20/80/1066682080.db2.gz RGYNGKSDJSZVEK-YJBOKZPZSA-N 1 3 315.461 2.204 20 0 DEADHO CC[NH2+]CC1CCN(Cc2ccc(/C=C\C(=O)OC)o2)CC1 ZINC001577837293 1066935477 /nfs/dbraw/zinc/93/54/77/1066935477.db2.gz JBLXZSMLVBAPBR-SREVYHEPSA-N 1 3 306.406 2.287 20 0 DEADHO CCOc1ccc(NC(=O)CC[N@H+](CC)C2CCNCC2)cc1 ZINC001578181435 1067008433 /nfs/dbraw/zinc/00/84/33/1067008433.db2.gz HESXIGIEWNMUDY-UHFFFAOYSA-N 1 3 319.449 2.488 20 0 DEADHO CCOc1ccc(NC(=O)CC[N@@H+](CC)C2CCNCC2)cc1 ZINC001578181435 1067008439 /nfs/dbraw/zinc/00/84/39/1067008439.db2.gz HESXIGIEWNMUDY-UHFFFAOYSA-N 1 3 319.449 2.488 20 0 DEADHO CCOc1ccc(NC(=O)CCN(CC)C2CC[NH2+]CC2)cc1 ZINC001578181435 1067008444 /nfs/dbraw/zinc/00/84/44/1067008444.db2.gz HESXIGIEWNMUDY-UHFFFAOYSA-N 1 3 319.449 2.488 20 0 DEADHO CN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CN(C(=O)OC(C)(C)C)C1 ZINC001578463932 1067110406 /nfs/dbraw/zinc/11/04/06/1067110406.db2.gz UFCSCYDOGVMVBC-GOOCMWNKSA-N 1 3 323.481 2.458 20 0 DEADHO CN(CCN1CCCCC1)C(=O)[C@@H](C[NH3+])C1CCCCCC1 ZINC001578470992 1067112845 /nfs/dbraw/zinc/11/28/45/1067112845.db2.gz LEJLYQOKLPWMSQ-KRWDZBQOSA-N 1 3 309.498 2.476 20 0 DEADHO C[NH2+]C[C@H]1CCCCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC001578738043 1067158309 /nfs/dbraw/zinc/15/83/09/1067158309.db2.gz VFVZUPXUKXIGIY-GOSISDBHSA-N 1 3 315.461 2.497 20 0 DEADHO COCC[C@@H](N)C[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC001579002313 1067218994 /nfs/dbraw/zinc/21/89/94/1067218994.db2.gz PYEXBGJSACBNPF-VXGBXAGGSA-N 1 3 315.820 2.011 20 0 DEADHO [NH3+][C@H](CN[C@@H]1CCO[C@@H](c2ccccn2)C1)CC(F)(F)F ZINC001580133380 1067506570 /nfs/dbraw/zinc/50/65/70/1067506570.db2.gz XEMOHEISAQKFET-DMDPSCGWSA-N 1 3 303.328 2.171 20 0 DEADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3cn4ccnc4s3)CC2)C1 ZINC001580200677 1067522674 /nfs/dbraw/zinc/52/26/74/1067522674.db2.gz SWXVIZVSNOABIS-UKRRQHHQSA-N 1 3 320.462 2.114 20 0 DEADHO CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001267067221 1078541934 /nfs/dbraw/zinc/54/19/34/1078541934.db2.gz OLSDDTAPPYHISB-IIAQQRLMSA-N 1 3 309.498 2.367 20 0 DEADHO CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001267067223 1078542009 /nfs/dbraw/zinc/54/20/09/1078542009.db2.gz OLSDDTAPPYHISB-PRJTXATQSA-N 1 3 309.498 2.367 20 0 DEADHO C[C@@]1(NC(=O)c2cccc(CN3CCCCC3)c2)CC[NH2+]C1 ZINC001573622342 1069052708 /nfs/dbraw/zinc/05/27/08/1069052708.db2.gz NDDCSIPLFGNQAY-GOSISDBHSA-N 1 3 301.434 2.154 20 0 DEADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCNCc1ccccc1F ZINC001267473928 1078894740 /nfs/dbraw/zinc/89/47/40/1078894740.db2.gz LHPHBVCPCIAWHQ-QGZVFWFLSA-N 1 3 321.440 2.248 20 0 DEADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCNCc1ccccc1F ZINC001267473928 1078894749 /nfs/dbraw/zinc/89/47/49/1078894749.db2.gz LHPHBVCPCIAWHQ-QGZVFWFLSA-N 1 3 321.440 2.248 20 0 DEADHO CC(C)[N@@H+](C/C=C/Cl)CCCNC(=O)[C@@H]1CCCN1C ZINC001267499462 1078927812 /nfs/dbraw/zinc/92/78/12/1078927812.db2.gz WXOMOGLRRURBLU-GPAKFWEMSA-N 1 3 301.862 2.050 20 0 DEADHO CC(C)[N@H+](C/C=C/Cl)CCCNC(=O)[C@@H]1CCCN1C ZINC001267499462 1078927826 /nfs/dbraw/zinc/92/78/26/1078927826.db2.gz WXOMOGLRRURBLU-GPAKFWEMSA-N 1 3 301.862 2.050 20 0 DEADHO C[NH2+]C1CC(C(=O)N2CCCN(Cc3ccccc3C)CC2)C1 ZINC001548548291 1072682531 /nfs/dbraw/zinc/68/25/31/1072682531.db2.gz MIHCXQUCLVGZMU-UHFFFAOYSA-N 1 3 315.461 2.027 20 0 DEADHO CCCC[N@H+]1CC=C(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001279687077 1078947793 /nfs/dbraw/zinc/94/77/93/1078947793.db2.gz DRKFBIIWXIZFID-IYBDPMFKSA-N 1 3 307.482 2.408 20 0 DEADHO CCCC[N@@H+]1CC=C(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001279687077 1078947795 /nfs/dbraw/zinc/94/77/95/1078947795.db2.gz DRKFBIIWXIZFID-IYBDPMFKSA-N 1 3 307.482 2.408 20 0 DEADHO [NH3+]CC1([C@@H]2CCCCN2C(=O)c2cccc3c2CNC3)CCC1 ZINC001548588418 1072702086 /nfs/dbraw/zinc/70/20/86/1072702086.db2.gz FMTWFNGLCQNNIV-KRWDZBQOSA-N 1 3 313.445 2.414 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(NCc2ccsc2)CC1 ZINC001483738334 1078967263 /nfs/dbraw/zinc/96/72/63/1078967263.db2.gz NIVMDHKQEUOTQC-OAHLLOKOSA-N 1 3 321.490 2.361 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(NCc2ccsc2)CC1 ZINC001483738334 1078967270 /nfs/dbraw/zinc/96/72/70/1078967270.db2.gz NIVMDHKQEUOTQC-OAHLLOKOSA-N 1 3 321.490 2.361 20 0 DEADHO C[C@H]1C[C@H]2CC[C@@H](C(=O)N3CCN(C4CC4)C[C@H](C)C3)C[N@@H+]2C1 ZINC001548711026 1072828284 /nfs/dbraw/zinc/82/82/84/1072828284.db2.gz ZZNBFRPGHHEURA-LISAXSMJSA-N 1 3 319.493 2.050 20 0 DEADHO C[C@H]1C[C@H]2CC[C@@H](C(=O)N3CCN(C4CC4)C[C@H](C)C3)C[N@H+]2C1 ZINC001548711026 1072828294 /nfs/dbraw/zinc/82/82/94/1072828294.db2.gz ZZNBFRPGHHEURA-LISAXSMJSA-N 1 3 319.493 2.050 20 0 DEADHO O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccccc1)c1ccc2c(c1)CNC2 ZINC001549209799 1073079579 /nfs/dbraw/zinc/07/95/79/1073079579.db2.gz VFHRDHYYKMGZKQ-RBUKOAKNSA-N 1 3 321.424 2.165 20 0 DEADHO CC(C)C[NH+]1CC([C@H](C)NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001409903535 1079081277 /nfs/dbraw/zinc/08/12/77/1079081277.db2.gz IAKZCWISIUOCJW-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001409907237 1079094449 /nfs/dbraw/zinc/09/44/49/1079094449.db2.gz IQWGRSMBSRFOEM-OAHLLOKOSA-N 1 3 309.498 2.343 20 0 DEADHO [NH3+][C@H]1C[C@H]1c1ccc(NC(=O)c2ccc3c(c2)CNCC3)cc1 ZINC001550099107 1073426439 /nfs/dbraw/zinc/42/64/39/1073426439.db2.gz OIAARKLEIIUFCG-ROUUACIJSA-N 1 3 307.397 2.399 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001550231841 1073522377 /nfs/dbraw/zinc/52/23/77/1073522377.db2.gz UJGCEZJCUHGUCM-HKUYNNGSSA-N 1 3 313.445 2.213 20 0 DEADHO N[C@@H](CC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC001550233293 1073524652 /nfs/dbraw/zinc/52/46/52/1073524652.db2.gz CPWRLALOEQXIOS-WMZOPIPTSA-N 1 3 301.434 2.069 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001483786789 1079120690 /nfs/dbraw/zinc/12/06/90/1079120690.db2.gz FAHCTIXAJZJFFA-CQSZACIVSA-N 1 3 321.440 2.467 20 0 DEADHO C[C@@H]1C[NH2+]C[C@@H]1CN1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC001550349217 1073607883 /nfs/dbraw/zinc/60/78/83/1073607883.db2.gz KJTOIZTVVBCVEC-CZUORRHYSA-N 1 3 318.465 2.447 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](N[C@@H](C)c1ccc(F)cn1)[C@@H](O)C2 ZINC001550354166 1073612016 /nfs/dbraw/zinc/61/20/16/1073612016.db2.gz VCKWREKJBDBLFC-TUWRNDLFSA-N 1 3 321.440 2.351 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](N[C@@H](C)c1ccc(F)cn1)[C@@H](O)C2 ZINC001550354166 1073612018 /nfs/dbraw/zinc/61/20/18/1073612018.db2.gz VCKWREKJBDBLFC-TUWRNDLFSA-N 1 3 321.440 2.351 20 0 DEADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2conc2C2CC2)C1 ZINC001550701947 1073812104 /nfs/dbraw/zinc/81/21/04/1073812104.db2.gz ITZNBGODIFPUPX-OWCLPIDISA-N 1 3 305.422 2.413 20 0 DEADHO CCC(CC)C[NH2+]C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001483933934 1079194811 /nfs/dbraw/zinc/19/48/11/1079194811.db2.gz MKBOHSJSCVLJPP-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)c1 ZINC001551309358 1074157704 /nfs/dbraw/zinc/15/77/04/1074157704.db2.gz QSWQIFUPFDRDBG-PBHICJAKSA-N 1 3 302.422 2.012 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C[C@@H]4CCCC[C@H]4C3=O)C[C@@H]2C1 ZINC001551380542 1074197827 /nfs/dbraw/zinc/19/78/27/1074197827.db2.gz DMYHQWWTDREVGA-DISONHOPSA-N 1 3 319.493 2.255 20 0 DEADHO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001551389181 1074200219 /nfs/dbraw/zinc/20/02/19/1074200219.db2.gz JNISYGMPXFTDDC-MEWCUZTCSA-N 1 3 321.509 2.092 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001551389186 1074200897 /nfs/dbraw/zinc/20/08/97/1074200897.db2.gz JNISYGMPXFTDDC-ZJZKXORJSA-N 1 3 321.509 2.092 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+][C@H]2CCCc3n[nH]cc32)CC1 ZINC001551399214 1074205167 /nfs/dbraw/zinc/20/51/67/1074205167.db2.gz KFTMCNIRMJFKOM-HQVVEAJESA-N 1 3 318.465 2.410 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CC2CCC(O)CC2)CC1 ZINC001649821046 1079236429 /nfs/dbraw/zinc/23/64/29/1079236429.db2.gz BSRGXYVYUIEUET-LPOKXYRGSA-N 1 3 323.525 2.028 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CC2CCC(O)CC2)CC1 ZINC001649821046 1079236433 /nfs/dbraw/zinc/23/64/33/1079236433.db2.gz BSRGXYVYUIEUET-LPOKXYRGSA-N 1 3 323.525 2.028 20 0 DEADHO O[C@H](C[NH2+]C1CCN(C2CCOCC2)CC1)c1cccc(F)c1 ZINC001646522104 1074469324 /nfs/dbraw/zinc/46/93/24/1074469324.db2.gz IOCXRVMEGPWHSE-GOSISDBHSA-N 1 3 322.424 2.092 20 0 DEADHO CN(C(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1)[C@H]1CCN(C)C1 ZINC001552304091 1074533586 /nfs/dbraw/zinc/53/35/86/1074533586.db2.gz SNIOABYHBDBHNX-ROUUACIJSA-N 1 3 315.461 2.272 20 0 DEADHO CN(C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)[C@H]1CCN(C)C1 ZINC001552304091 1074533591 /nfs/dbraw/zinc/53/35/91/1074533591.db2.gz SNIOABYHBDBHNX-ROUUACIJSA-N 1 3 315.461 2.272 20 0 DEADHO Cc1cccc(CN(CCN(C)C)C(=O)C[NH2+]C(C)(C)C)c1 ZINC001647080724 1074784007 /nfs/dbraw/zinc/78/40/07/1074784007.db2.gz PEZBMYNRVRMAEX-UHFFFAOYSA-N 1 3 305.466 2.273 20 0 DEADHO c1ccc2c(c1)CC(N1CCN(C[C@@H]3CCCC[NH2+]C3)CC1)C2 ZINC001553301326 1074833507 /nfs/dbraw/zinc/83/35/07/1074833507.db2.gz YZLSZWORWYJDPU-QGZVFWFLSA-N 1 3 313.489 2.161 20 0 DEADHO C[C@@H]1[NH2+]CCn2c(-c3nc([C@H]4CN5CCC4CC5)no3)ccc21 ZINC001553314450 1074838669 /nfs/dbraw/zinc/83/86/69/1074838669.db2.gz FHIRVKUFGJPSGN-AAEUAGOBSA-N 1 3 313.405 2.012 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)C1)N(C)C ZINC001566773610 1075001561 /nfs/dbraw/zinc/00/15/61/1075001561.db2.gz MNLJNKASBVEPII-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CN1CCC([NH+]2CCC(NCc3ccc(Cl)nc3)CC2)CC1 ZINC001560300615 1075136168 /nfs/dbraw/zinc/13/61/68/1075136168.db2.gz KJLNHEUGJOOBLY-UHFFFAOYSA-N 1 3 322.884 2.383 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC001414174835 1079366749 /nfs/dbraw/zinc/36/67/49/1079366749.db2.gz QFXSATQZXWLSHO-SAGYGOJTSA-N 1 3 308.466 2.177 20 0 DEADHO CCCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001566124312 1075233277 /nfs/dbraw/zinc/23/32/77/1075233277.db2.gz OUZODPURZMLWKQ-INIZCTEOSA-N 1 3 306.454 2.455 20 0 DEADHO CCCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001566124312 1075233280 /nfs/dbraw/zinc/23/32/80/1075233280.db2.gz OUZODPURZMLWKQ-INIZCTEOSA-N 1 3 306.454 2.455 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001567236325 1075470390 /nfs/dbraw/zinc/47/03/90/1075470390.db2.gz HEMNKXFFWUHJPI-CYBMUJFWSA-N 1 3 304.438 2.245 20 0 DEADHO C[N@H+](C[C@H](O)CNCC1(c2ccccc2F)CCC1)C1CC1 ZINC001650156401 1079426296 /nfs/dbraw/zinc/42/62/96/1079426296.db2.gz BLXWITQDKMYJPE-OAHLLOKOSA-N 1 3 306.425 2.292 20 0 DEADHO C[N@@H+](C[C@H](O)CNCC1(c2ccccc2F)CCC1)C1CC1 ZINC001650156401 1079426300 /nfs/dbraw/zinc/42/63/00/1079426300.db2.gz BLXWITQDKMYJPE-OAHLLOKOSA-N 1 3 306.425 2.292 20 0 DEADHO c1ccc(-c2ccc(CN3CCC4(CC3)C[NH2+]CCO4)cn2)nc1 ZINC001580891510 1076016651 /nfs/dbraw/zinc/01/66/51/1076016651.db2.gz AKJBYCGQCMOUSJ-UHFFFAOYSA-N 1 3 324.428 2.098 20 0 DEADHO C[NH+](C)C1(C)CCC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001591007537 1076702953 /nfs/dbraw/zinc/70/29/53/1076702953.db2.gz REBVDLBPXJMHQD-UHFFFAOYSA-N 1 3 314.437 2.219 20 0 DEADHO C[NH+](C)C1(C)CCC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001591007537 1076702958 /nfs/dbraw/zinc/70/29/58/1076702958.db2.gz REBVDLBPXJMHQD-UHFFFAOYSA-N 1 3 314.437 2.219 20 0 DEADHO Cc1cc(-c2nnn[n-]2)cc(C)c1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC001591846752 1076792417 /nfs/dbraw/zinc/79/24/17/1076792417.db2.gz OJVFDJRJAIQKNT-CYBMUJFWSA-N 1 3 314.437 2.043 20 0 DEADHO Cc1cc(-c2nn[n-]n2)cc(C)c1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC001591846752 1076792419 /nfs/dbraw/zinc/79/24/19/1076792419.db2.gz OJVFDJRJAIQKNT-CYBMUJFWSA-N 1 3 314.437 2.043 20 0 DEADHO C[C@H](c1cccc(-c2nnn[n-]2)c1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC001609140859 1077771297 /nfs/dbraw/zinc/77/12/97/1077771297.db2.gz VUIISVVPRWJIBH-CYBMUJFWSA-N 1 3 314.437 2.201 20 0 DEADHO C[C@H](c1cccc(-c2nn[n-]n2)c1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC001609140859 1077771299 /nfs/dbraw/zinc/77/12/99/1077771299.db2.gz VUIISVVPRWJIBH-CYBMUJFWSA-N 1 3 314.437 2.201 20 0 DEADHO C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]CCC1CC1 ZINC001484380399 1079578207 /nfs/dbraw/zinc/57/82/07/1079578207.db2.gz MYAVUJPUSHDLHV-FUHWJXTLSA-N 1 3 321.509 2.203 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[NH2+]Cc1ccccc1C1CC1)N(C)C ZINC001481304377 1079693177 /nfs/dbraw/zinc/69/31/77/1079693177.db2.gz RMHKZLYJNSUAQC-SFHVURJKSA-N 1 3 317.477 2.452 20 0 DEADHO CCN1CCC[C@H](C[NH2+]Cc2ccccc2N2CCOCC2)C1 ZINC000066991111 1079870059 /nfs/dbraw/zinc/87/00/59/1079870059.db2.gz IKSIBSIMKLGIFT-QGZVFWFLSA-N 1 3 317.477 2.345 20 0 DEADHO CCN1CCN(CCC[NH2+]Cc2cncc3ccccc32)CC1 ZINC001656039396 1080031671 /nfs/dbraw/zinc/03/16/71/1080031671.db2.gz GVCGYWXUFYODLH-UHFFFAOYSA-N 1 3 312.461 2.352 20 0 DEADHO Cc1cccc(C[N@@H+](C)[C@@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001485312841 1080134019 /nfs/dbraw/zinc/13/40/19/1080134019.db2.gz LIZJOXJYZUUKEX-INIZCTEOSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1cccc(C[N@H+](C)[C@@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001485312841 1080134020 /nfs/dbraw/zinc/13/40/20/1080134020.db2.gz LIZJOXJYZUUKEX-INIZCTEOSA-N 1 3 317.477 2.416 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC000073033945 1080170277 /nfs/dbraw/zinc/17/02/77/1080170277.db2.gz BDAOONGLOLQPNU-RDJZCZTQSA-N 1 3 303.450 2.280 20 0 DEADHO CC(C)CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001268193595 1080179308 /nfs/dbraw/zinc/17/93/08/1080179308.db2.gz WCRDZUODDGCVKV-ZBFHGGJFSA-N 1 3 306.454 2.215 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2[C@@H](CC[N@H+]2CCCCCF)C1 ZINC001268269346 1080251283 /nfs/dbraw/zinc/25/12/83/1080251283.db2.gz UEVWBFVKXXTTSI-HOCLYGCPSA-N 1 3 322.428 2.015 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2[C@@H](CC[N@@H+]2CCCCCF)C1 ZINC001268269346 1080251291 /nfs/dbraw/zinc/25/12/91/1080251291.db2.gz UEVWBFVKXXTTSI-HOCLYGCPSA-N 1 3 322.428 2.015 20 0 DEADHO C[C@H](c1ccccc1)N1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001481655399 1080255898 /nfs/dbraw/zinc/25/58/98/1080255898.db2.gz ZAWVKSAODONHNR-HZPDHXFCSA-N 1 3 315.461 2.137 20 0 DEADHO C[C@H](c1ccccc1)N1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001481655399 1080255906 /nfs/dbraw/zinc/25/59/06/1080255906.db2.gz ZAWVKSAODONHNR-HZPDHXFCSA-N 1 3 315.461 2.137 20 0 DEADHO Cc1cc(F)ccc1C[N@@H+](C)CCCNC(=O)[C@@H]1CCCN1C ZINC001660081532 1080263326 /nfs/dbraw/zinc/26/33/26/1080263326.db2.gz SITLJHFCCPRFAX-KRWDZBQOSA-N 1 3 321.440 2.166 20 0 DEADHO Cc1cc(F)ccc1C[N@H+](C)CCCNC(=O)[C@@H]1CCCN1C ZINC001660081532 1080263334 /nfs/dbraw/zinc/26/33/34/1080263334.db2.gz SITLJHFCCPRFAX-KRWDZBQOSA-N 1 3 321.440 2.166 20 0 DEADHO CC(C)=CCN1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001481696374 1080314391 /nfs/dbraw/zinc/31/43/91/1080314391.db2.gz GRGZXZAGHFFYOE-KRWDZBQOSA-N 1 3 307.482 2.409 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](C[NH2+]CCCC2CCC2)C1 ZINC001485704018 1080370149 /nfs/dbraw/zinc/37/01/49/1080370149.db2.gz IJCCQWUMEIHVOV-WKILWMFISA-N 1 3 318.465 2.325 20 0 DEADHO CCN(CCNC/C=C/Cl)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001268449438 1080476134 /nfs/dbraw/zinc/47/61/34/1080476134.db2.gz CIIGXMWBMRDWRZ-CMDGGOBGSA-N 1 3 315.889 2.442 20 0 DEADHO CCN(C(=O)CN1CC[C@H](C)C1)[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC001481774522 1080490156 /nfs/dbraw/zinc/49/01/56/1080490156.db2.gz LIXNJMMNFQPQNQ-DLBZAZTESA-N 1 3 307.482 2.217 20 0 DEADHO CCN(C(=O)CN1CC[C@H](C)C1)[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001481774522 1080490157 /nfs/dbraw/zinc/49/01/57/1080490157.db2.gz LIXNJMMNFQPQNQ-DLBZAZTESA-N 1 3 307.482 2.217 20 0 DEADHO CC(C)=CC[N@H+]1CCC[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001661739739 1080516760 /nfs/dbraw/zinc/51/67/60/1080516760.db2.gz RIMZESONTKIRQK-IRXDYDNUSA-N 1 3 307.482 2.123 20 0 DEADHO CC(C)=CC[N@@H+]1CCC[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001661739739 1080516765 /nfs/dbraw/zinc/51/67/65/1080516765.db2.gz RIMZESONTKIRQK-IRXDYDNUSA-N 1 3 307.482 2.123 20 0 DEADHO CC(C)C[NH2+]CC[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001481983337 1080666198 /nfs/dbraw/zinc/66/61/98/1080666198.db2.gz IAAVDIICAUKBEA-IRXDYDNUSA-N 1 3 309.498 2.203 20 0 DEADHO O=C(CN1CCCC1)N1CCC(CC[NH2+]CC2CCC2)CC1 ZINC001482007405 1080687042 /nfs/dbraw/zinc/68/70/42/1080687042.db2.gz CGNAWZSYVLGQIT-UHFFFAOYSA-N 1 3 307.482 2.101 20 0 DEADHO CC(C)C[NH2+]Cc1ccc(CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001482034629 1080720121 /nfs/dbraw/zinc/72/01/21/1080720121.db2.gz UPALFIYDFFIIRF-MRXNPFEDSA-N 1 3 317.477 2.390 20 0 DEADHO Cc1ccc(C[NH2+]CCN(C)C(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001663981447 1080845435 /nfs/dbraw/zinc/84/54/35/1080845435.db2.gz HCUQWEJZIAUHMA-UHFFFAOYSA-N 1 3 317.477 2.336 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NC/C=C\CNC/C=C/Cl)CC1 ZINC001268611561 1080890231 /nfs/dbraw/zinc/89/02/31/1080890231.db2.gz SKVKVRDREGCHQQ-HMRFFJRGSA-N 1 3 313.873 2.121 20 0 DEADHO CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc1cc(C)sc1C)N(C)C ZINC001268617635 1080895518 /nfs/dbraw/zinc/89/55/18/1080895518.db2.gz ONRAEPWUDNKKTO-PTZVLDCSSA-N 1 3 323.506 2.467 20 0 DEADHO C[C@@H](C[NH2+]C/C=C\Cl)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001268704466 1080942602 /nfs/dbraw/zinc/94/26/02/1080942602.db2.gz DSTLZWGZMXCKEW-NDWLYLDWSA-N 1 3 319.852 2.046 20 0 DEADHO CN(CCC[NH2+]C/C=C/c1ccccc1)C(=O)[C@H]1CCCN1C ZINC001268782902 1080989377 /nfs/dbraw/zinc/98/93/77/1080989377.db2.gz GJUFWSUCKZCROE-PMQIGOLDSA-N 1 3 315.461 2.232 20 0 DEADHO CC/C=C\CCN1CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001269311505 1081206984 /nfs/dbraw/zinc/20/69/84/1081206984.db2.gz UPMBUKMYZFZBPI-CHYADLBTSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]C/C=C/Cl ZINC001668235145 1081331222 /nfs/dbraw/zinc/33/12/22/1081331222.db2.gz ZAPRBPGYKHNYBP-SIEMXDPISA-N 1 3 315.889 2.486 20 0 DEADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000950490864 1081352353 /nfs/dbraw/zinc/35/23/53/1081352353.db2.gz GETIKCQIHVMORX-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000950490864 1081352358 /nfs/dbraw/zinc/35/23/58/1081352358.db2.gz GETIKCQIHVMORX-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@@H]1CC[N@H+](CC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000950505681 1081356684 /nfs/dbraw/zinc/35/66/84/1081356684.db2.gz HOFJHWDHOQHFEM-MRXNPFEDSA-N 1 3 307.482 2.053 20 0 DEADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000950505681 1081356688 /nfs/dbraw/zinc/35/66/88/1081356688.db2.gz HOFJHWDHOQHFEM-MRXNPFEDSA-N 1 3 307.482 2.053 20 0 DEADHO O=C(NC/C=C\CNC/C=C\Cl)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001669085763 1081426699 /nfs/dbraw/zinc/42/66/99/1081426699.db2.gz DRQJRFIVBUPEGL-NOIACAMCSA-N 1 3 311.857 2.018 20 0 DEADHO O=C(NC/C=C\CNC/C=C\Cl)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001669085763 1081426703 /nfs/dbraw/zinc/42/67/03/1081426703.db2.gz DRQJRFIVBUPEGL-NOIACAMCSA-N 1 3 311.857 2.018 20 0 DEADHO O=C(NC/C=C\CNC/C=C/Cl)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001669085764 1081426793 /nfs/dbraw/zinc/42/67/93/1081426793.db2.gz DRQJRFIVBUPEGL-WUMCSVNBSA-N 1 3 311.857 2.018 20 0 DEADHO O=C(NC/C=C\CNC/C=C/Cl)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001669085764 1081426795 /nfs/dbraw/zinc/42/67/95/1081426795.db2.gz DRQJRFIVBUPEGL-WUMCSVNBSA-N 1 3 311.857 2.018 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC[C@@H]1CC1(Cl)Cl)N(C)C ZINC001669664862 1081462578 /nfs/dbraw/zinc/46/25/78/1081462578.db2.gz NWGYTJVLPBOPHQ-TUAOUCFPSA-N 1 3 324.296 2.005 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001493501723 1081753731 /nfs/dbraw/zinc/75/37/31/1081753731.db2.gz WZTQYDJAWWQEJF-WBVHZDCISA-N 1 3 303.450 2.198 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCc1ccccc1)N(C)C ZINC001482355460 1081756105 /nfs/dbraw/zinc/75/61/05/1081756105.db2.gz GOHTUKKFRZQZMR-WMZOPIPTSA-N 1 3 319.493 2.252 20 0 DEADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001482356867 1081757232 /nfs/dbraw/zinc/75/72/32/1081757232.db2.gz SJUKYORPMAUJOT-UONOGXRCSA-N 1 3 319.440 2.200 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@H+](CCCCCF)[C@H](C)C1 ZINC001674156802 1081849878 /nfs/dbraw/zinc/84/98/78/1081849878.db2.gz WTLWHORMPVBLAU-CVEARBPZSA-N 1 3 315.477 2.436 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@@H+](CCCCCF)[C@H](C)C1 ZINC001674156802 1081849881 /nfs/dbraw/zinc/84/98/81/1081849881.db2.gz WTLWHORMPVBLAU-CVEARBPZSA-N 1 3 315.477 2.436 20 0 DEADHO CN(CC(=O)N1CC[C@H]2C[N@@H+](C3CCCC3)C[C@H]21)C1CCCC1 ZINC001271075878 1081896781 /nfs/dbraw/zinc/89/67/81/1081896781.db2.gz PEEXGNNCGQZGBS-MAUKXSAKSA-N 1 3 319.493 2.336 20 0 DEADHO CN(CC(=O)N1CC[C@H]2C[N@H+](C3CCCC3)C[C@H]21)C1CCCC1 ZINC001271075878 1081896786 /nfs/dbraw/zinc/89/67/86/1081896786.db2.gz PEEXGNNCGQZGBS-MAUKXSAKSA-N 1 3 319.493 2.336 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2CC[NH2+]CCC2CC2)C1 ZINC001482456491 1081907041 /nfs/dbraw/zinc/90/70/41/1081907041.db2.gz OCZNYBADIWINJW-WMZOPIPTSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)C[C@](C)(C[NH3+])C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC001648961480 1081946561 /nfs/dbraw/zinc/94/65/61/1081946561.db2.gz BWLVHNVKOKVRRW-IEBWSBKVSA-N 1 3 319.493 2.287 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001480874992 1082049508 /nfs/dbraw/zinc/04/95/08/1082049508.db2.gz NCDREOVXCURFRR-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)CC[C@H]2CCC[N@H+]2C)cc1 ZINC001480874992 1082049513 /nfs/dbraw/zinc/04/95/13/1082049513.db2.gz NCDREOVXCURFRR-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1CC[NH2+]C/C=C/Cl ZINC001271598577 1082089337 /nfs/dbraw/zinc/08/93/37/1082089337.db2.gz AODHFXFRACBTCO-PPYMECGQSA-N 1 3 315.889 2.442 20 0 DEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c(s2)CNCC3)C[C@H]1C ZINC001648975566 1082279168 /nfs/dbraw/zinc/27/91/68/1082279168.db2.gz UCCJSBLJTDFMBF-TZMCWYRMSA-N 1 3 321.490 2.339 20 0 DEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc3c(s2)CNCC3)C[C@H]1C ZINC001648975566 1082279172 /nfs/dbraw/zinc/27/91/72/1082279172.db2.gz UCCJSBLJTDFMBF-TZMCWYRMSA-N 1 3 321.490 2.339 20 0 DEADHO C[C@H](F)CC[NH2+]C[C@@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001266870919 1082417810 /nfs/dbraw/zinc/41/78/10/1082417810.db2.gz QJYQHUDFCAPFSN-GJZGRUSLSA-N 1 3 313.461 2.190 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]C/C=C/Cl)N(C)C ZINC001266870392 1082417919 /nfs/dbraw/zinc/41/79/19/1082417919.db2.gz JGXVYVPTFWEKFH-BIYBCCJYSA-N 1 3 301.862 2.050 20 0 DEADHO Cc1ccccc1C[NH2+]CC[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001482838499 1082525761 /nfs/dbraw/zinc/52/57/61/1082525761.db2.gz CIZZEZKVGPPKDK-MRXNPFEDSA-N 1 3 317.477 2.464 20 0 DEADHO C[C@@H](CC[NH2+]CC1=CCCCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001482870447 1082538013 /nfs/dbraw/zinc/53/80/13/1082538013.db2.gz DIXWISBLKKSZGQ-CVEARBPZSA-N 1 3 307.482 2.313 20 0 DEADHO Cc1cc(C[NH2+]CC[C@H](C)NC(=O)Cc2nc[nH]c2C)cs1 ZINC001482890209 1082548063 /nfs/dbraw/zinc/54/80/63/1082548063.db2.gz LNUMNWGFKRDFMM-NSHDSACASA-N 1 3 320.462 2.315 20 0 DEADHO CCN(CCNC/C=C/Cl)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001482955865 1082577402 /nfs/dbraw/zinc/57/74/02/1082577402.db2.gz WPJKKNYDVBGYEO-XVJNWHFHSA-N 1 3 315.889 2.442 20 0 DEADHO Cc1ccc(C)c(C[NH2+]C/C=C/CNC(=O)[C@H]2CCCN2C)c1 ZINC001482991338 1082611156 /nfs/dbraw/zinc/61/11/56/1082611156.db2.gz PMSDAPQWZDNWBX-SHCNBLLESA-N 1 3 315.461 2.160 20 0 DEADHO C[NH+](C)CCC(=O)NC/C=C\CN[C@@H]1CCc2c1cccc2F ZINC001483054861 1082670960 /nfs/dbraw/zinc/67/09/60/1082670960.db2.gz SJCDZGQEFKRXPA-CWIOURORSA-N 1 3 319.424 2.027 20 0 DEADHO CC(C)[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccsc2)C1)N(C)C ZINC001409302611 1082753522 /nfs/dbraw/zinc/75/35/22/1082753522.db2.gz UHKDWLHYRGLYEZ-GPANFISMSA-N 1 3 323.506 2.319 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[NH2+]CCC1CCCCC1 ZINC001483188375 1082796204 /nfs/dbraw/zinc/79/62/04/1082796204.db2.gz GMXJCSKXMDVMTN-CYBMUJFWSA-N 1 3 306.454 2.325 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CC(C)(C)C1 ZINC001483226967 1082828639 /nfs/dbraw/zinc/82/86/39/1082828639.db2.gz PGYSHNUTJYZNTM-HOCLYGCPSA-N 1 3 309.498 2.390 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[N@H+](C)CC1CC2(CCC2)C1 ZINC001409644198 1083000561 /nfs/dbraw/zinc/00/05/61/1083000561.db2.gz IVPDAWQXNBHENP-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[N@@H+](C)CC1CC2(CCC2)C1 ZINC001409644198 1083000567 /nfs/dbraw/zinc/00/05/67/1083000567.db2.gz IVPDAWQXNBHENP-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO CN(C)c1ccncc1CNC[C@H](Cc1ccccc1)[NH+](C)C ZINC001413119172 1083368315 /nfs/dbraw/zinc/36/83/15/1083368315.db2.gz SHHWDACOFXPGIU-SFHVURJKSA-N 1 3 312.461 2.410 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CC1CC(C)C1 ZINC001276405881 1083402558 /nfs/dbraw/zinc/40/25/58/1083402558.db2.gz SBUJLODGIPFZRZ-OFLPRAFFSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1cnsc1CN1CCC2(CC[N@@H+](CCN(C)C)C2)CC1 ZINC001276462662 1083452639 /nfs/dbraw/zinc/45/26/39/1083452639.db2.gz XPZNQTILONNLGA-UHFFFAOYSA-N 1 3 322.522 2.301 20 0 DEADHO Cc1cnsc1CN1CCC2(CC[N@H+](CCN(C)C)C2)CC1 ZINC001276462662 1083452643 /nfs/dbraw/zinc/45/26/43/1083452643.db2.gz XPZNQTILONNLGA-UHFFFAOYSA-N 1 3 322.522 2.301 20 0 DEADHO CC(C)CCC[NH+]1CCC2(CCN(CC(=O)N(C)C)C2)CC1 ZINC001276527419 1083480508 /nfs/dbraw/zinc/48/05/08/1083480508.db2.gz OFAXREOYKBPLCO-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC1CC1)CC2 ZINC001107582513 1083491892 /nfs/dbraw/zinc/49/18/92/1083491892.db2.gz HWGPPICDEXOLQX-IEBWSBKVSA-N 1 3 321.509 2.489 20 0 DEADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC1CC1)CC2 ZINC001107582513 1083491896 /nfs/dbraw/zinc/49/18/96/1083491896.db2.gz HWGPPICDEXOLQX-IEBWSBKVSA-N 1 3 321.509 2.489 20 0 DEADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCCF)CC2 ZINC001107583045 1083493451 /nfs/dbraw/zinc/49/34/51/1083493451.db2.gz MGSKFNBJLNXUSH-NVXWUHKLSA-N 1 3 313.461 2.049 20 0 DEADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCF)CC2 ZINC001107583045 1083493457 /nfs/dbraw/zinc/49/34/57/1083493457.db2.gz MGSKFNBJLNXUSH-NVXWUHKLSA-N 1 3 313.461 2.049 20 0 DEADHO CCC/C=C\CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001279208740 1083730958 /nfs/dbraw/zinc/73/09/58/1083730958.db2.gz IAYKHXPAJQJUFL-KXERVDIVSA-N 1 3 307.482 2.406 20 0 DEADHO CCCCCCN1CC[C@@H]2C[C@@]21C(=O)NC1CC[NH+](C)CC1 ZINC001277226970 1083856509 /nfs/dbraw/zinc/85/65/09/1083856509.db2.gz YEPCMTRPWXBFLE-QAPCUYQASA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000721932804 1084124623 /nfs/dbraw/zinc/12/46/23/1084124623.db2.gz VIBCMWPIYDTIBP-NIOBXDJOSA-N 1 3 323.481 2.457 20 0 DEADHO C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000721932804 1084124627 /nfs/dbraw/zinc/12/46/27/1084124627.db2.gz VIBCMWPIYDTIBP-NIOBXDJOSA-N 1 3 323.481 2.457 20 0 DEADHO Cc1cccc(N2CCC[C@]3(CN(CCCC[NH3+])CCO3)C2)c1 ZINC001235535660 1084457643 /nfs/dbraw/zinc/45/76/43/1084457643.db2.gz AZFVUHHKJOGNNT-IBGZPJMESA-N 1 3 317.477 2.405 20 0 DEADHO Fc1ccccc1CN1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC001235691506 1084502285 /nfs/dbraw/zinc/50/22/85/1084502285.db2.gz JRCMGGWREOGFQL-INIZCTEOSA-N 1 3 305.441 2.333 20 0 DEADHO CC(C)(C)OC(=O)[C@@H]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC001235712497 1084510826 /nfs/dbraw/zinc/51/08/26/1084510826.db2.gz AZWBYTVXHDTEGM-MRXNPFEDSA-N 1 3 316.445 2.496 20 0 DEADHO CC1(C)CC(C[NH2+]C[C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC000960152129 1085129497 /nfs/dbraw/zinc/12/94/97/1085129497.db2.gz VLLQEJQPVLINGH-INIZCTEOSA-N 1 3 318.465 2.359 20 0 DEADHO CC(C)[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CN1CC[C@@H](C)C1 ZINC000960303285 1085188220 /nfs/dbraw/zinc/18/82/20/1085188220.db2.gz GRIVAFWWCJWLAL-LSBZLQRGSA-N 1 3 315.461 2.108 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1=CC[N@H+](CC2CC2)CC1 ZINC001486521356 1085404581 /nfs/dbraw/zinc/40/45/81/1085404581.db2.gz XFCPPNKZVJTEGN-GJZGRUSLSA-N 1 3 305.466 2.018 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1=CC[N@@H+](CC2CC2)CC1 ZINC001486521356 1085404584 /nfs/dbraw/zinc/40/45/84/1085404584.db2.gz XFCPPNKZVJTEGN-GJZGRUSLSA-N 1 3 305.466 2.018 20 0 DEADHO C[N@H+](CC1CCC1)C[C@@H]1CCCN1C(=O)CN1CCC(C)(C)C1 ZINC000960865266 1085487527 /nfs/dbraw/zinc/48/75/27/1085487527.db2.gz PPKUPPSSOSHZQX-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO C[N@@H+](CC1CCC1)C[C@@H]1CCCN1C(=O)CN1CCC(C)(C)C1 ZINC000960865266 1085487533 /nfs/dbraw/zinc/48/75/33/1085487533.db2.gz PPKUPPSSOSHZQX-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCCC3)C[C@H]21 ZINC000961769833 1085857622 /nfs/dbraw/zinc/85/76/22/1085857622.db2.gz FBLAYKIFCHMVBC-NWGLXNPWSA-N 1 3 319.493 2.097 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCCC3)C[C@H]21 ZINC000961769833 1085857635 /nfs/dbraw/zinc/85/76/35/1085857635.db2.gz FBLAYKIFCHMVBC-NWGLXNPWSA-N 1 3 319.493 2.097 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCC3)C[C@H]21 ZINC000961937775 1085914211 /nfs/dbraw/zinc/91/42/11/1085914211.db2.gz BCIPUXMXTXDAGD-XDNAFOTISA-N 1 3 319.493 2.096 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCC3)C[C@H]21 ZINC000961937775 1085914221 /nfs/dbraw/zinc/91/42/21/1085914221.db2.gz BCIPUXMXTXDAGD-XDNAFOTISA-N 1 3 319.493 2.096 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+]C/C=C\c1ccccc1 ZINC001128527682 1086180709 /nfs/dbraw/zinc/18/07/09/1086180709.db2.gz BUCJDQAESVQODC-NLZINVLXSA-N 1 3 321.440 2.086 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC=C(Cl)Cl)N(C)C ZINC001273130637 1086299290 /nfs/dbraw/zinc/29/92/90/1086299290.db2.gz BJRYXMSVSSUJKO-AAEUAGOBSA-N 1 3 324.296 2.376 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([C@H]2CCC[N@@H+]2CC2CC2)C1 ZINC000963365783 1086426901 /nfs/dbraw/zinc/42/69/01/1086426901.db2.gz HUTQMYLYGVIMIU-DOTOQJQBSA-N 1 3 316.449 2.065 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([C@H]2CCC[N@H+]2CC2CC2)C1 ZINC000963365783 1086426906 /nfs/dbraw/zinc/42/69/06/1086426906.db2.gz HUTQMYLYGVIMIU-DOTOQJQBSA-N 1 3 316.449 2.065 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+]CCCCC(F)(F)F ZINC001168756038 1086510665 /nfs/dbraw/zinc/51/06/65/1086510665.db2.gz UDUYBSSQBOWUDO-UHFFFAOYSA-N 1 3 311.392 2.157 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC1CC1)C2 ZINC000963786084 1086558589 /nfs/dbraw/zinc/55/85/89/1086558589.db2.gz AFRSONNIDFDAGO-RFSHTEQGSA-N 1 3 319.493 2.286 20 0 DEADHO CC[N@H+](CC1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1)C(C)C ZINC000957720420 1088572942 /nfs/dbraw/zinc/57/29/42/1088572942.db2.gz LCLWFARESIRQNW-KRWDZBQOSA-N 1 3 309.498 2.296 20 0 DEADHO CC[N@@H+](CC1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1)C(C)C ZINC000957720420 1088572957 /nfs/dbraw/zinc/57/29/57/1088572957.db2.gz LCLWFARESIRQNW-KRWDZBQOSA-N 1 3 309.498 2.296 20 0 DEADHO CC[C@@H](C(=O)N1CCC(C[N@H+](CC)CC2CC2)CC1)N(C)C ZINC000957753170 1088599801 /nfs/dbraw/zinc/59/98/01/1088599801.db2.gz BEAQAUXXZINNPV-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C(=O)N1CCC(C[N@@H+](CC)CC2CC2)CC1)N(C)C ZINC000957753170 1088599815 /nfs/dbraw/zinc/59/98/15/1088599815.db2.gz BEAQAUXXZINNPV-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO CC[NH2+]C[C@H]1c2ccccc2CCN1C(=O)C1(N(C)C)CCC1 ZINC000958790610 1089184080 /nfs/dbraw/zinc/18/40/80/1089184080.db2.gz HIAQNDJGTWERGF-KRWDZBQOSA-N 1 3 315.461 2.206 20 0 DEADHO CC[NH2+]C[C@@H]1c2ccccc2CCN1C(=O)[C@H](C(C)C)N(C)C ZINC000958792113 1089186713 /nfs/dbraw/zinc/18/67/13/1089186713.db2.gz ZKVKFNZMRIVVLS-MSOLQXFVSA-N 1 3 317.477 2.308 20 0 DEADHO CC[NH2+]C[C@H]1c2ccccc2CCN1C(=O)CN1CCC[C@@H]1C ZINC000958803143 1089193669 /nfs/dbraw/zinc/19/36/69/1089193669.db2.gz NGCLHSOXSOVRCT-YJBOKZPZSA-N 1 3 315.461 2.206 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3=CCCCC3)C[C@H]21)N(C)C ZINC001114854211 1089213743 /nfs/dbraw/zinc/21/37/43/1089213743.db2.gz LUAZLYAXQWEEHN-XWTMOSNGSA-N 1 3 319.493 2.264 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]21)N(C)C ZINC001114854211 1089213754 /nfs/dbraw/zinc/21/37/54/1089213754.db2.gz LUAZLYAXQWEEHN-XWTMOSNGSA-N 1 3 319.493 2.264 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001082740820 1090067829 /nfs/dbraw/zinc/06/78/29/1090067829.db2.gz HIYDQVJSALEVDO-BFYDXBDKSA-N 1 3 321.509 2.343 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001084338523 1090269879 /nfs/dbraw/zinc/26/98/79/1090269879.db2.gz UMFIVYOQSRHMRN-BRWVUGGUSA-N 1 3 307.482 2.192 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001084338523 1090269887 /nfs/dbraw/zinc/26/98/87/1090269887.db2.gz UMFIVYOQSRHMRN-BRWVUGGUSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001084638672 1090360455 /nfs/dbraw/zinc/36/04/55/1090360455.db2.gz MUMRSXHUBSSOJY-BRWVUGGUSA-N 1 3 309.498 2.151 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001084638672 1090360461 /nfs/dbraw/zinc/36/04/61/1090360461.db2.gz MUMRSXHUBSSOJY-BRWVUGGUSA-N 1 3 309.498 2.151 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001084700983 1090401344 /nfs/dbraw/zinc/40/13/44/1090401344.db2.gz JIQSSIKHVHZREC-GVDBMIGSSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001084700983 1090401346 /nfs/dbraw/zinc/40/13/46/1090401346.db2.gz JIQSSIKHVHZREC-GVDBMIGSSA-N 1 3 307.482 2.194 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(C)C)[C@H]2C1 ZINC001084953547 1090543090 /nfs/dbraw/zinc/54/30/90/1090543090.db2.gz TUFVEPXSYFQAGW-KURKYZTESA-N 1 3 321.509 2.440 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(C)C)[C@H]2C1 ZINC001084953547 1090543096 /nfs/dbraw/zinc/54/30/96/1090543096.db2.gz TUFVEPXSYFQAGW-KURKYZTESA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]C/C=C/c1ccccc1)N(C)C ZINC001410431221 1090646858 /nfs/dbraw/zinc/64/68/58/1090646858.db2.gz FSDTZAFEVXOYLL-RNQQZGMQSA-N 1 3 317.477 2.477 20 0 DEADHO C[C@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)NCc1ccsc1 ZINC001410480262 1091010449 /nfs/dbraw/zinc/01/04/49/1091010449.db2.gz DAHXEQZVHCBKNE-KGLIPLIRSA-N 1 3 309.479 2.026 20 0 DEADHO C[C@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1ccsc1 ZINC001410480262 1091010458 /nfs/dbraw/zinc/01/04/58/1091010458.db2.gz DAHXEQZVHCBKNE-KGLIPLIRSA-N 1 3 309.479 2.026 20 0 DEADHO CCc1ccc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCCN2C)cc1 ZINC001274262892 1091157205 /nfs/dbraw/zinc/15/72/05/1091157205.db2.gz JSBICJRYORNKLM-SHCNBLLESA-N 1 3 315.461 2.105 20 0 DEADHO CC[C@H](F)CNC/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001274414034 1091231003 /nfs/dbraw/zinc/23/10/03/1091231003.db2.gz QLOILLCDXDNENX-BUWFCSEKSA-N 1 3 313.461 2.259 20 0 DEADHO CC[C@H](F)CNC/C=C/CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001274414034 1091231012 /nfs/dbraw/zinc/23/10/12/1091231012.db2.gz QLOILLCDXDNENX-BUWFCSEKSA-N 1 3 313.461 2.259 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)NC/C=C/CNCc2cccc(Cl)c2)C1 ZINC001274578591 1091308391 /nfs/dbraw/zinc/30/83/91/1091308391.db2.gz KJYARHNYNKUBTL-XYBNCVKDSA-N 1 3 321.852 2.054 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)NC/C=C/CNCc2cccc(Cl)c2)C1 ZINC001274578591 1091308403 /nfs/dbraw/zinc/30/84/03/1091308403.db2.gz KJYARHNYNKUBTL-XYBNCVKDSA-N 1 3 321.852 2.054 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]C/C=C\c1ccccc1)N(C)C ZINC001274804194 1091420484 /nfs/dbraw/zinc/42/04/84/1091420484.db2.gz RPRXPIVOQWJGTF-IKTMDDPPSA-N 1 3 303.450 2.134 20 0 DEADHO C[NH+](C)Cc1ccc(C(=O)N2CCCC[C@H]2CNCCF)cc1 ZINC001275036510 1091524565 /nfs/dbraw/zinc/52/45/65/1091524565.db2.gz WGASYJOCXGVBIG-KRWDZBQOSA-N 1 3 321.440 2.302 20 0 DEADHO c1[nH]nnc1CN1CCC2(CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001275228488 1091624760 /nfs/dbraw/zinc/62/47/60/1091624760.db2.gz BJOHRJGXSWUKQV-UHFFFAOYSA-N 1 3 303.454 2.425 20 0 DEADHO c1[nH]nnc1CN1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001275228488 1091624766 /nfs/dbraw/zinc/62/47/66/1091624766.db2.gz BJOHRJGXSWUKQV-UHFFFAOYSA-N 1 3 303.454 2.425 20 0 DEADHO Cn1cccc1CN[C@@]12CC[C@@]([NH2+]Cc3cn[nH]c3)(C1)CCC2 ZINC001275235001 1091627498 /nfs/dbraw/zinc/62/74/98/1091627498.db2.gz XFAVBSAOTTYVTG-MSOLQXFVSA-N 1 3 313.449 2.473 20 0 DEADHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(Cc1cccc(Cl)c1)C2 ZINC001275303195 1091659677 /nfs/dbraw/zinc/65/96/77/1091659677.db2.gz RLDYAZYHNWCBEE-WBVHZDCISA-N 1 3 307.869 2.408 20 0 DEADHO Cc1ccncc1CN1CCC[C@@]2(CC[N@@H+](CCN(C)C)C2)C1 ZINC001276197174 1091678671 /nfs/dbraw/zinc/67/86/71/1091678671.db2.gz GXHZYJOAEBCRHI-IBGZPJMESA-N 1 3 316.493 2.240 20 0 DEADHO Cc1ccncc1CN1CCC[C@@]2(CC[N@H+](CCN(C)C)C2)C1 ZINC001276197174 1091678679 /nfs/dbraw/zinc/67/86/79/1091678679.db2.gz GXHZYJOAEBCRHI-IBGZPJMESA-N 1 3 316.493 2.240 20 0 DEADHO CC[C@@H](C)CN1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948755812 1091916982 /nfs/dbraw/zinc/91/69/82/1091916982.db2.gz MHITWFZBWCZVKT-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C)CN1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948755812 1091916990 /nfs/dbraw/zinc/91/69/90/1091916990.db2.gz MHITWFZBWCZVKT-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CCC[C@H]2C)CC1 ZINC000948775508 1091929934 /nfs/dbraw/zinc/92/99/34/1091929934.db2.gz KBTVLCPSUXBYFZ-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](N(C)C(=O)CN2CCC[C@H]2C)CC1 ZINC000948775508 1091929944 /nfs/dbraw/zinc/92/99/44/1091929944.db2.gz KBTVLCPSUXBYFZ-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCN(CC2CCCC2)CC1 ZINC000948854377 1091968630 /nfs/dbraw/zinc/96/86/30/1091968630.db2.gz MEFNUALUYYLLGG-QGZVFWFLSA-N 1 3 307.482 2.195 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCN(CC2CCCC2)CC1 ZINC000948854377 1091968641 /nfs/dbraw/zinc/96/86/41/1091968641.db2.gz MEFNUALUYYLLGG-QGZVFWFLSA-N 1 3 307.482 2.195 20 0 DEADHO c1cn(CC[N@@H+]2CCC3(C2)CCN(Cc2ccoc2)CC3)cn1 ZINC001275944682 1092357480 /nfs/dbraw/zinc/35/74/80/1092357480.db2.gz AIZWPJMYVMVNBP-UHFFFAOYSA-N 1 3 314.433 2.464 20 0 DEADHO c1cn(CC[N@H+]2CCC3(C2)CCN(Cc2ccoc2)CC3)cn1 ZINC001275944682 1092357495 /nfs/dbraw/zinc/35/74/95/1092357495.db2.gz AIZWPJMYVMVNBP-UHFFFAOYSA-N 1 3 314.433 2.464 20 0 DEADHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1cccc(Cl)c1 ZINC001273910542 1092499215 /nfs/dbraw/zinc/49/92/15/1092499215.db2.gz POFVMXVGKWXNOH-WOMSROEHSA-N 1 3 321.852 2.196 20 0 DEADHO C[C@@H](F)CCN1CC[C@H]1CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001488698879 1092694177 /nfs/dbraw/zinc/69/41/77/1092694177.db2.gz MCGFUQNFAHTILI-CVEARBPZSA-N 1 3 313.461 2.143 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001488762044 1092738139 /nfs/dbraw/zinc/73/81/39/1092738139.db2.gz RVCGTWZJIBJGSE-KFWWJZLASA-N 1 3 313.461 2.093 20 0 DEADHO Brc1cnccc1CN1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315526 1138350507 /nfs/dbraw/zinc/35/05/07/1138350507.db2.gz KHVBGKKHBJJMGD-TXEJJXNPSA-N 1 3 310.239 2.276 20 0 DEADHO CCN(C(=O)[C@H]1CC12CN(CC1(C)CC[NH+](C)CC1)C2)C(C)C ZINC001278022210 1138445836 /nfs/dbraw/zinc/44/58/36/1138445836.db2.gz RHVXSVFOVSXFRD-MRXNPFEDSA-N 1 3 321.509 2.297 20 0 DEADHO CC1=CCC=C[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2CCCN(C)C ZINC001278047663 1138495357 /nfs/dbraw/zinc/49/53/57/1138495357.db2.gz FIEFRSDGIBJQLX-BZSNNMDCSA-N 1 3 317.477 2.136 20 0 DEADHO CC1=CCC=C[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2CCCN(C)C ZINC001278047663 1138495374 /nfs/dbraw/zinc/49/53/74/1138495374.db2.gz FIEFRSDGIBJQLX-BZSNNMDCSA-N 1 3 317.477 2.136 20 0 DEADHO CCOC(=O)[C@H]1CN(Cc2ccc(F)cc2C)CCC12C[NH2+]C2 ZINC001237431010 1138622092 /nfs/dbraw/zinc/62/20/92/1138622092.db2.gz PCMBPNPGKMUTDA-MRXNPFEDSA-N 1 3 320.408 2.109 20 0 DEADHO CCOC(=O)Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(CN(C)C)C2)cc1 ZINC001237486449 1138653733 /nfs/dbraw/zinc/65/37/33/1138653733.db2.gz WZGCEJAJIFXQMJ-IEBWSBKVSA-N 1 3 316.445 2.176 20 0 DEADHO CCOC(=O)Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3(CN(C)C)C2)cc1 ZINC001237486449 1138653735 /nfs/dbraw/zinc/65/37/35/1138653735.db2.gz WZGCEJAJIFXQMJ-IEBWSBKVSA-N 1 3 316.445 2.176 20 0 DEADHO CCc1ccc(NC(=O)NC[C@H]2CCC3(CCNCC3)[NH2+]2)cc1 ZINC001239216270 1138990676 /nfs/dbraw/zinc/99/06/76/1138990676.db2.gz NLZPAUMHSQGQNC-MRXNPFEDSA-N 1 3 316.449 2.245 20 0 DEADHO C[N@H+](CCCc1ccccc1)C[C@@H](O)[C@@H](N)Cc1ccccc1 ZINC001246043388 1140852468 /nfs/dbraw/zinc/85/24/68/1140852468.db2.gz KLPFKUJDDZFIAS-VQTJNVASSA-N 1 3 312.457 2.482 20 0 DEADHO C[N@@H+](CCCc1ccccc1)C[C@@H](O)[C@@H](N)Cc1ccccc1 ZINC001246043388 1140852472 /nfs/dbraw/zinc/85/24/72/1140852472.db2.gz KLPFKUJDDZFIAS-VQTJNVASSA-N 1 3 312.457 2.482 20 0 DEADHO CN(CCCc1ccccc1)C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246043388 1140852474 /nfs/dbraw/zinc/85/24/74/1140852474.db2.gz KLPFKUJDDZFIAS-VQTJNVASSA-N 1 3 312.457 2.482 20 0 DEADHO C[C@H]1C[C@H]([NH2+]C2CCN(c3ncccc3Cl)CC2)CCN1 ZINC001246239259 1140876416 /nfs/dbraw/zinc/87/64/16/1140876416.db2.gz IQVSSHMBTFZUEE-GXTWGEPZSA-N 1 3 308.857 2.434 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)CCNC/C(Cl)=C\Cl)[NH+](C)C ZINC001320545363 1140877947 /nfs/dbraw/zinc/87/79/47/1140877947.db2.gz WRFKTQCTSOZFGL-NUBPSFNZSA-N 1 3 324.296 2.376 20 0 DEADHO Cc1ccc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCOCC2)nc1 ZINC001246439187 1140898607 /nfs/dbraw/zinc/89/86/07/1140898607.db2.gz MYKDTIFFEDIQJS-SJPCQFCGSA-N 1 3 315.461 2.311 20 0 DEADHO CO[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246516419 1140931688 /nfs/dbraw/zinc/93/16/88/1140931688.db2.gz SERYZUHGWBRALK-WZGPROSRSA-N 1 3 317.477 2.006 20 0 DEADHO CCOC(=O)c1ccc(C[C@@H](C)[N@@H+]2CCCNC[C@@H]2C)cc1 ZINC001246569818 1140971385 /nfs/dbraw/zinc/97/13/85/1140971385.db2.gz FCLBDSQHVSLBKE-CABCVRRESA-N 1 3 304.434 2.478 20 0 DEADHO CCOC(=O)c1ccc(C[C@@H](C)[N@H+]2CCCNC[C@@H]2C)cc1 ZINC001246569818 1140971394 /nfs/dbraw/zinc/97/13/94/1140971394.db2.gz FCLBDSQHVSLBKE-CABCVRRESA-N 1 3 304.434 2.478 20 0 DEADHO N[C@]1(C(F)(F)F)CCN(C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001246572899 1140974021 /nfs/dbraw/zinc/97/40/21/1140974021.db2.gz VDBFDBURQBOMGY-CQSZACIVSA-N 1 3 314.355 2.016 20 0 DEADHO CCOC(=O)c1ccc(C[C@@H](C)[N@@H+]2CCNC[C@@H](C)C2)cc1 ZINC001246575942 1140977974 /nfs/dbraw/zinc/97/79/74/1140977974.db2.gz YATPGRYWGWGJPK-HUUCEWRRSA-N 1 3 304.434 2.336 20 0 DEADHO CCOC(=O)c1ccc(C[C@@H](C)[N@H+]2CCNC[C@@H](C)C2)cc1 ZINC001246575942 1140978004 /nfs/dbraw/zinc/97/80/04/1140978004.db2.gz YATPGRYWGWGJPK-HUUCEWRRSA-N 1 3 304.434 2.336 20 0 DEADHO NC[C@@H]1CCCC[N@@H+]([C@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001246579668 1140982315 /nfs/dbraw/zinc/98/23/15/1140982315.db2.gz CUNOEBHRVKEQFV-ROUUACIJSA-N 1 3 315.461 2.238 20 0 DEADHO NC[C@@H]1CCCC[N@H+]([C@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001246579668 1140982326 /nfs/dbraw/zinc/98/23/26/1140982326.db2.gz CUNOEBHRVKEQFV-ROUUACIJSA-N 1 3 315.461 2.238 20 0 DEADHO FC(F)(F)CN1CCC([N@@H+]2CCC[C@]23CCCNC3)CC1 ZINC001246610614 1141003701 /nfs/dbraw/zinc/00/37/01/1141003701.db2.gz PXLJQNSHPQJJHC-AWEZNQCLSA-N 1 3 305.388 2.231 20 0 DEADHO FC(F)(F)CN1CCC([N@H+]2CCC[C@]23CCCNC3)CC1 ZINC001246610614 1141003709 /nfs/dbraw/zinc/00/37/09/1141003709.db2.gz PXLJQNSHPQJJHC-AWEZNQCLSA-N 1 3 305.388 2.231 20 0 DEADHO Cc1cccc2c1CC[C@@H](N1CC[NH2+]C[C@]3(CCCCN3)C1)C2 ZINC001246637565 1141017816 /nfs/dbraw/zinc/01/78/16/1141017816.db2.gz YNBRSJLAIIXRTD-UYAOXDASSA-N 1 3 313.489 2.270 20 0 DEADHO Cc1ccc(C[NH2+]C/C=C/CNC(=O)CN(C)C2CCC2)cc1 ZINC001321096448 1141051754 /nfs/dbraw/zinc/05/17/54/1141051754.db2.gz PHIGEFGBHKLPKL-ONEGZZNKSA-N 1 3 315.461 2.241 20 0 DEADHO CCOC(=O)N1CCC(C)(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)CC1 ZINC001474756487 1141130858 /nfs/dbraw/zinc/13/08/58/1141130858.db2.gz HDYKUVCLFCCSLV-ARFHVFGLSA-N 1 3 323.481 2.175 20 0 DEADHO CN1CCC[C@@H](N(Cc2ccccc2F)[C@@H]2CCC[NH2+]C2)C1 ZINC001246942107 1141148836 /nfs/dbraw/zinc/14/88/36/1141148836.db2.gz XJMNTTANRQPIFQ-IAGOWNOFSA-N 1 3 305.441 2.474 20 0 DEADHO FC(F)(F)[C@H]1CNCCN1[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246985768 1141218439 /nfs/dbraw/zinc/21/84/39/1141218439.db2.gz CAEMDWMGCKQMTB-CHWSQXEVSA-N 1 3 305.388 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]C/C=C\Cl ZINC001322372872 1141548089 /nfs/dbraw/zinc/54/80/89/1141548089.db2.gz UXKJRRKXWRQEJM-WREBYIDWSA-N 1 3 324.856 2.278 20 0 DEADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCN2CCC2=CCCCC2)C1 ZINC001323335666 1141843452 /nfs/dbraw/zinc/84/34/52/1141843452.db2.gz NQSYUEGYYRNMLS-ROUUACIJSA-N 1 3 319.493 2.409 20 0 DEADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCN2CCC2=CCCCC2)C1 ZINC001323335666 1141843453 /nfs/dbraw/zinc/84/34/53/1141843453.db2.gz NQSYUEGYYRNMLS-ROUUACIJSA-N 1 3 319.493 2.409 20 0 DEADHO C[NH+]1CCC2(CN(C[C@@H](O)COc3ccc(Cl)cc3)C2)CC1 ZINC001250670659 1142263020 /nfs/dbraw/zinc/26/30/20/1142263020.db2.gz GTOPBAVLZAGEDI-OAHLLOKOSA-N 1 3 324.852 2.107 20 0 DEADHO CC(C)c1ccc(OC[C@H](O)CNC[C@H]2CCC[N@H+](C)C2)cc1 ZINC001250772784 1142309999 /nfs/dbraw/zinc/30/99/99/1142309999.db2.gz SUBVLHPSUWKLQZ-SJLPKXTDSA-N 1 3 320.477 2.481 20 0 DEADHO CC(C)c1ccc(OC[C@H](O)CNC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001250772784 1142310011 /nfs/dbraw/zinc/31/00/11/1142310011.db2.gz SUBVLHPSUWKLQZ-SJLPKXTDSA-N 1 3 320.477 2.481 20 0 DEADHO CCCC[C@H](O)C[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001252117001 1142646452 /nfs/dbraw/zinc/64/64/52/1142646452.db2.gz AXSMDVCWUARCRM-SFHVURJKSA-N 1 3 305.466 2.434 20 0 DEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)CCOCc2ccccc2)C1 ZINC001253296780 1142862416 /nfs/dbraw/zinc/86/24/16/1142862416.db2.gz YFPQVQMVQYNLHH-IPMKNSEASA-N 1 3 320.477 2.417 20 0 DEADHO CC(=O)N1CCC([NH2+]C2CCN(C[C@H]3CC=CCC3)CC2)CC1 ZINC001254421993 1143111424 /nfs/dbraw/zinc/11/14/24/1143111424.db2.gz AVRQAVGIMQIFKR-KRWDZBQOSA-N 1 3 319.493 2.408 20 0 DEADHO COC(=O)c1ccc2c(c1)CC[N@H+]([C@H]1CCCN(C)CC1)C2 ZINC001254518265 1143183435 /nfs/dbraw/zinc/18/34/35/1143183435.db2.gz BMFNWMKCHROHFT-KRWDZBQOSA-N 1 3 302.418 2.316 20 0 DEADHO COC(=O)c1ccc2c(c1)CC[N@@H+]([C@H]1CCCN(C)CC1)C2 ZINC001254518265 1143183473 /nfs/dbraw/zinc/18/34/73/1143183473.db2.gz BMFNWMKCHROHFT-KRWDZBQOSA-N 1 3 302.418 2.316 20 0 DEADHO CC[NH+](CC)CCN1CCN(C2Cc3ccccc3C2)CC1 ZINC001255019824 1143385140 /nfs/dbraw/zinc/38/51/40/1143385140.db2.gz NAISPFCIWIIATD-UHFFFAOYSA-N 1 3 301.478 2.113 20 0 DEADHO c1cc(CN2CCCN(C3CC[NH+](C4CC4)CC3)CC2)ccn1 ZINC001256072668 1143827548 /nfs/dbraw/zinc/82/75/48/1143827548.db2.gz FTUOBVBRRRLLCH-UHFFFAOYSA-N 1 3 314.477 2.216 20 0 DEADHO CCC[NH2+][C@H]1CCc2c(sc(=N)n2C2CCN(C)CC2)C1 ZINC001256207351 1143836013 /nfs/dbraw/zinc/83/60/13/1143836013.db2.gz FRAWZHRASNABOT-LBPRGKRZSA-N 1 3 308.495 2.153 20 0 DEADHO CC(C)(C)N1CCC([NH2+]CCNC(=O)c2cccs2)CC1 ZINC001256565672 1143854352 /nfs/dbraw/zinc/85/43/52/1143854352.db2.gz GEDDYNXDYUWFOO-UHFFFAOYSA-N 1 3 309.479 2.330 20 0 DEADHO CN(C)C(=O)[C@H]1CC12CC[NH+](C1CCN(C(C)(C)C)CC1)CC2 ZINC001256570282 1143854648 /nfs/dbraw/zinc/85/46/48/1143854648.db2.gz DMEOOQJSNSQJMU-MRXNPFEDSA-N 1 3 321.509 2.440 20 0 DEADHO c1cc(CN2CCC(N3CCC[N@@H+]4CCC[C@@H]4C3)CC2)ccn1 ZINC001256591892 1143856051 /nfs/dbraw/zinc/85/60/51/1143856051.db2.gz YCYXKZBJTTXOBW-LJQANCHMSA-N 1 3 314.477 2.216 20 0 DEADHO c1cc(CN2CCC(N3CCC[N@H+]4CCC[C@@H]4C3)CC2)ccn1 ZINC001256591892 1143856053 /nfs/dbraw/zinc/85/60/53/1143856053.db2.gz YCYXKZBJTTXOBW-LJQANCHMSA-N 1 3 314.477 2.216 20 0 DEADHO c1cncc(C2([NH2+]C3CCC(N4CCOCC4)CC3)CC2)c1 ZINC001256686959 1143862335 /nfs/dbraw/zinc/86/23/35/1143862335.db2.gz XLGYNFXBEPAYIQ-UHFFFAOYSA-N 1 3 301.434 2.304 20 0 DEADHO C[N@H+](CCc1ccncc1)C1CCC(N2CCOCC2)CC1 ZINC001256694888 1143863084 /nfs/dbraw/zinc/86/30/84/1143863084.db2.gz IKRLQERISFTTRW-UHFFFAOYSA-N 1 3 303.450 2.199 20 0 DEADHO C[N@@H+](CCc1ccncc1)C1CCC(N2CCOCC2)CC1 ZINC001256694888 1143863085 /nfs/dbraw/zinc/86/30/85/1143863085.db2.gz IKRLQERISFTTRW-UHFFFAOYSA-N 1 3 303.450 2.199 20 0 DEADHO C1COC2(C1)CC[NH+](C1CCC(N3CCOCC3)CC1)CC2 ZINC001256697776 1143863405 /nfs/dbraw/zinc/86/34/05/1143863405.db2.gz IRXFNEPCOZIYLO-UHFFFAOYSA-N 1 3 308.466 2.275 20 0 DEADHO c1cncc(N2CCN(C3CCN(c4cc[nH+]cc4)CC3)CC2)c1 ZINC001256854922 1143871143 /nfs/dbraw/zinc/87/11/43/1143871143.db2.gz ADZUJBPXBFYSLT-UHFFFAOYSA-N 1 3 323.444 2.268 20 0 DEADHO CC(C)[NH+]1CCC(N[C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001257210186 1143892906 /nfs/dbraw/zinc/89/29/06/1143892906.db2.gz INOXIKFHTHISFG-ZDUSSCGKSA-N 1 3 321.387 2.002 20 0 DEADHO CC(C)=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001279007316 1143896896 /nfs/dbraw/zinc/89/68/96/1143896896.db2.gz XVVJWNWOELJZAR-HOTGVXAUSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)CN1CCC([NH2+]C[C@@]2(O)CCOc3ccccc32)CC1 ZINC001258006001 1143964287 /nfs/dbraw/zinc/96/42/87/1143964287.db2.gz BQZSNMSWJXFSEM-IBGZPJMESA-N 1 3 318.461 2.367 20 0 DEADHO CN1C[C@@H]2C[N@H+](C3CCN(CCc4ccccc4)CC3)C[C@@H]2C1 ZINC001258147728 1143978189 /nfs/dbraw/zinc/97/81/89/1143978189.db2.gz QBJKFLPKRCOMNT-KDURUIRLSA-N 1 3 313.489 2.187 20 0 DEADHO CN1C[C@@H]2C[N@@H+](C3CCN(CCc4ccccc4)CC3)C[C@@H]2C1 ZINC001258147728 1143978191 /nfs/dbraw/zinc/97/81/91/1143978191.db2.gz QBJKFLPKRCOMNT-KDURUIRLSA-N 1 3 313.489 2.187 20 0 DEADHO COC(=O)[C@@H]1CCN(C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258143348 1143978603 /nfs/dbraw/zinc/97/86/03/1143978603.db2.gz LSYHPGOFIRYHLF-QGZVFWFLSA-N 1 3 316.445 2.188 20 0 DEADHO C[C@@H](Cc1cccnc1)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001258619788 1144026033 /nfs/dbraw/zinc/02/60/33/1144026033.db2.gz XQFFHZWOESIPCL-SZMVWBNQSA-N 1 3 303.450 2.246 20 0 DEADHO CCC[NH+]1CCC(N2CC[C@H]3[C@@H](CCN3C(=O)C(C)C)C2)CC1 ZINC001258774817 1144040371 /nfs/dbraw/zinc/04/03/71/1144040371.db2.gz PRKGUFVAAZUHKF-WMZOPIPTSA-N 1 3 321.509 2.440 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1CCC ZINC001265717284 1144733501 /nfs/dbraw/zinc/73/35/01/1144733501.db2.gz YBWMYRCOVSWMHO-ROCUWWBDSA-N 1 3 319.493 2.264 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1CCC ZINC001265717284 1144733505 /nfs/dbraw/zinc/73/35/05/1144733505.db2.gz YBWMYRCOVSWMHO-ROCUWWBDSA-N 1 3 319.493 2.264 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001265964687 1144771619 /nfs/dbraw/zinc/77/16/19/1144771619.db2.gz ZKGCRVNFVXFAOZ-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1C/C=C\Cl)N(C)C ZINC001266223664 1144816386 /nfs/dbraw/zinc/81/63/86/1144816386.db2.gz VBNVXMQPRMUCGO-IKQZUGGXSA-N 1 3 315.889 2.440 20 0 DEADHO CC[C@H](C(=O)NCCC[C@@H]1CCC[N@H+]1C/C=C\Cl)N(C)C ZINC001266223664 1144816387 /nfs/dbraw/zinc/81/63/87/1144816387.db2.gz VBNVXMQPRMUCGO-IKQZUGGXSA-N 1 3 315.889 2.440 20 0 DEADHO CC(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001280263281 1144834554 /nfs/dbraw/zinc/83/45/54/1144834554.db2.gz FVWPLFQBAIOBPU-DLBZAZTESA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)=CCN(C)C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001281951715 1144923123 /nfs/dbraw/zinc/92/31/23/1144923123.db2.gz ILBRSTDSWJASCQ-MRXNPFEDSA-N 1 3 307.482 2.217 20 0 DEADHO CC(C)COC(=O)N1CCC([NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)CC1 ZINC001364932762 1145690543 /nfs/dbraw/zinc/69/05/43/1145690543.db2.gz NOQOHIROTQEJNF-DJIMGWMZSA-N 1 3 323.481 2.173 20 0 DEADHO COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]CC[C@H](C)N3CCCCC3)[C@H]2C1 ZINC001364952347 1145708335 /nfs/dbraw/zinc/70/83/35/1145708335.db2.gz BYFJYJTUSHSBRY-BIVLZKPYSA-N 1 3 308.466 2.428 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCCCN1C ZINC001365104409 1145802146 /nfs/dbraw/zinc/80/21/46/1145802146.db2.gz ZYQUQTINYVDJAL-SJORKVTESA-N 1 3 324.513 2.425 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCCCN1C ZINC001365104409 1145802147 /nfs/dbraw/zinc/80/21/47/1145802147.db2.gz ZYQUQTINYVDJAL-SJORKVTESA-N 1 3 324.513 2.425 20 0 DEADHO CC(C)=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001284241503 1145825067 /nfs/dbraw/zinc/82/50/67/1145825067.db2.gz KDDZSZKSTUIESX-CABCVRRESA-N 1 3 304.438 2.101 20 0 DEADHO CC[C@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@@H]1C ZINC001365417250 1145867674 /nfs/dbraw/zinc/86/76/74/1145867674.db2.gz XHWBMXRGPKSQLQ-XHSDSOJGSA-N 1 3 312.502 2.088 20 0 DEADHO CC[C@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@@H]1C ZINC001365417250 1145867676 /nfs/dbraw/zinc/86/76/76/1145867676.db2.gz XHWBMXRGPKSQLQ-XHSDSOJGSA-N 1 3 312.502 2.088 20 0 DEADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]CCCC2CCC2)C1)N(C)C ZINC001284815905 1145925266 /nfs/dbraw/zinc/92/52/66/1145925266.db2.gz OGSCGGYSXWACFQ-JCYILVPMSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001480665443 1146023515 /nfs/dbraw/zinc/02/35/15/1146023515.db2.gz LPLKRPBYRCNHQW-HZPDHXFCSA-N 1 3 311.514 2.449 20 0 DEADHO CC[C@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001365846655 1146026889 /nfs/dbraw/zinc/02/68/89/1146026889.db2.gz FBJIIBHHXCJATC-VGWMRTNUSA-N 1 3 313.461 2.093 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2)C1)N(C)C ZINC001365848833 1146027726 /nfs/dbraw/zinc/02/77/26/1146027726.db2.gz LAPOMDYOEAQOBN-RCCFBDPRSA-N 1 3 317.477 2.401 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2c(C)cccc2C)C1)N(C)C ZINC001366115368 1147062231 /nfs/dbraw/zinc/06/22/31/1147062231.db2.gz CEDNWARSNVSEEP-JFIYKMOQSA-N 1 3 317.477 2.380 20 0 DEADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccccc1F ZINC001492035333 1147071286 /nfs/dbraw/zinc/07/12/86/1147071286.db2.gz WFCOOFVXCOYDRC-CQSZACIVSA-N 1 3 321.440 2.294 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001492115698 1147079855 /nfs/dbraw/zinc/07/98/55/1147079855.db2.gz WWQYDYAACGYUPZ-CYBMUJFWSA-N 1 3 318.465 2.325 20 0 DEADHO C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)NCc1ccccc1F ZINC001366292534 1147195888 /nfs/dbraw/zinc/19/58/88/1147195888.db2.gz BYSFHTOBNLSEKM-AWEZNQCLSA-N 1 3 319.424 2.048 20 0 DEADHO CN(C)C1(C(=O)NCC[N@H+](C)CC2CC3(CCC3)C2)CCC1 ZINC001492278634 1147197481 /nfs/dbraw/zinc/19/74/81/1147197481.db2.gz QOSYHROVYBRIEN-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO CN(C)C1(C(=O)NCC[N@@H+](C)CC2CC3(CCC3)C2)CCC1 ZINC001492278634 1147197483 /nfs/dbraw/zinc/19/74/83/1147197483.db2.gz QOSYHROVYBRIEN-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO Cc1ccccc1C[NH2+][C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001366312831 1147205302 /nfs/dbraw/zinc/20/53/02/1147205302.db2.gz SRGNQMGLNREWLM-MRXNPFEDSA-N 1 3 317.477 2.464 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1cc2ccccc2o1)N(C)C ZINC001366351100 1147229219 /nfs/dbraw/zinc/22/92/19/1147229219.db2.gz HFHHRLZNKBQTSV-XJKSGUPXSA-N 1 3 317.433 2.367 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC[N@H+](C)CC1CC(C)C1 ZINC001366571072 1147362667 /nfs/dbraw/zinc/36/26/67/1147362667.db2.gz QIZDJHAIEBZMMQ-JCYILVPMSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC[N@@H+](C)CC1CC(C)C1 ZINC001366571072 1147362674 /nfs/dbraw/zinc/36/26/74/1147362674.db2.gz QIZDJHAIEBZMMQ-JCYILVPMSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[NH2+][C@H](C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001366779417 1147555487 /nfs/dbraw/zinc/55/54/87/1147555487.db2.gz FVYLAOHMWBJANP-JKSUJKDBSA-N 1 3 309.498 2.201 20 0 DEADHO CN(C)C1(C(=O)NCC[C@@H]2CC[N@H+](CC3CCC3)C2)CCC1 ZINC001366833894 1147586905 /nfs/dbraw/zinc/58/69/05/1147586905.db2.gz ZSGBRDHDXSPSBV-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO CN(C)C1(C(=O)NCC[C@@H]2CC[N@@H+](CC3CCC3)C2)CCC1 ZINC001366833894 1147586909 /nfs/dbraw/zinc/58/69/09/1147586909.db2.gz ZSGBRDHDXSPSBV-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC[N@H+](C)Cc1ccc(F)cc1)N(C)C ZINC001316831042 1147611064 /nfs/dbraw/zinc/61/10/64/1147611064.db2.gz UTWVASUUGDGPJB-KRWDZBQOSA-N 1 3 323.456 2.350 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC[N@@H+](C)Cc1ccc(F)cc1)N(C)C ZINC001316831042 1147611066 /nfs/dbraw/zinc/61/10/66/1147611066.db2.gz UTWVASUUGDGPJB-KRWDZBQOSA-N 1 3 323.456 2.350 20 0 DEADHO CCCN(C)CC(=O)NCC1C[NH+]([C@H]2CCc3ccccc32)C1 ZINC001366984334 1147628566 /nfs/dbraw/zinc/62/85/66/1147628566.db2.gz GUDYABLOTZANNH-SFHVURJKSA-N 1 3 315.461 2.064 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001317062765 1147655035 /nfs/dbraw/zinc/65/50/35/1147655035.db2.gz QFLDDNFFKMDHSE-WMZOPIPTSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCc2ccsc2)C1)N(C)C ZINC001317087578 1147658198 /nfs/dbraw/zinc/65/81/98/1147658198.db2.gz NKCZOSVVPKLCRE-JYJNAYRXSA-N 1 3 323.506 2.258 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1C(C)C ZINC001317212320 1147677998 /nfs/dbraw/zinc/67/79/98/1147677998.db2.gz VIBGCMMTSODMIV-UEUSWGCRSA-N 1 3 319.493 2.262 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1C(C)C ZINC001317212320 1147678000 /nfs/dbraw/zinc/67/80/00/1147678000.db2.gz VIBGCMMTSODMIV-UEUSWGCRSA-N 1 3 319.493 2.262 20 0 DEADHO CC(C)[C@H](C(=O)NCC1([NH2+]CCC2CC2)CCCC1)N(C)C ZINC001367324685 1147678317 /nfs/dbraw/zinc/67/83/17/1147678317.db2.gz QFTWUNOAPZOUPW-MRXNPFEDSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001367384095 1147687096 /nfs/dbraw/zinc/68/70/96/1147687096.db2.gz MIIRTOONHJOZQM-GXTWGEPZSA-N 1 3 319.440 2.054 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCCCCF)C1 ZINC001317362682 1147696212 /nfs/dbraw/zinc/69/62/12/1147696212.db2.gz GYBOYQITMPXUDM-HUUCEWRRSA-N 1 3 324.444 2.417 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@H]([NH2+]CCCCCF)C1 ZINC001317362681 1147696265 /nfs/dbraw/zinc/69/62/65/1147696265.db2.gz GYBOYQITMPXUDM-GJZGRUSLSA-N 1 3 324.444 2.417 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC001367669851 1147724700 /nfs/dbraw/zinc/72/47/00/1147724700.db2.gz REPMOVFJLVSUCU-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO Cc1cccc(C)c1C[NH2+]C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001367672334 1147725113 /nfs/dbraw/zinc/72/51/13/1147725113.db2.gz CYKLBSSJTDIJBG-MRXNPFEDSA-N 1 3 317.477 2.382 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001367696959 1147728632 /nfs/dbraw/zinc/72/86/32/1147728632.db2.gz CMHVDBADQQHVBD-CJNGLKHVSA-N 1 3 309.429 2.091 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(F)cc2C)CC1)N(C)C ZINC001368018059 1147830419 /nfs/dbraw/zinc/83/04/19/1147830419.db2.gz FOXCUWKMDYUKMC-INIZCTEOSA-N 1 3 321.440 2.213 20 0 DEADHO CC[C@H](F)CNC1(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001368029119 1147835199 /nfs/dbraw/zinc/83/51/99/1147835199.db2.gz WMQJUZTVQPQDIW-INIZCTEOSA-N 1 3 321.440 2.348 20 0 DEADHO CCCCCCN(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC)C2 ZINC001325350627 1147894941 /nfs/dbraw/zinc/89/49/41/1147894941.db2.gz ZZQUMHSATALCNZ-BBWFWOEESA-N 1 3 309.498 2.488 20 0 DEADHO CCCCCCN(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC)C2 ZINC001325350627 1147894943 /nfs/dbraw/zinc/89/49/43/1147894943.db2.gz ZZQUMHSATALCNZ-BBWFWOEESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[NH2+]CC[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001326398345 1148091823 /nfs/dbraw/zinc/09/18/23/1148091823.db2.gz PUQVJZMZNDYIAC-QGZVFWFLSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@@H](O)CCC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000278624061 214282574 /nfs/dbraw/zinc/28/25/74/214282574.db2.gz JYIODQBWXXZBBY-MRXNPFEDSA-N 1 3 319.493 2.468 20 0 DEADHO CSc1ccc([C@H](CNC(=O)N[C@H](C)CC[NH3+])N(C)C)cc1 ZINC000418230813 295679014 /nfs/dbraw/zinc/67/90/14/295679014.db2.gz JVBGFPJRIYDQBQ-DOMZBBRYSA-N 1 3 324.494 2.048 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000417835850 529610595 /nfs/dbraw/zinc/61/05/95/529610595.db2.gz OHZXDRHKXTYCMI-ROUUACIJSA-N 1 3 311.429 2.108 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000417824220 529615965 /nfs/dbraw/zinc/61/59/65/529615965.db2.gz AXZUNYHFVVERRR-HZPDHXFCSA-N 1 3 303.450 2.143 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000417843890 529616440 /nfs/dbraw/zinc/61/64/40/529616440.db2.gz VXXUGGUYGSZVBY-JZXOWHBKSA-N 1 3 303.450 2.273 20 0 DEADHO C[NH+]1CCC(NCCOc2ncc(Cl)cc2Cl)CC1 ZINC000090450620 185297056 /nfs/dbraw/zinc/29/70/56/185297056.db2.gz QSUVPLWGBHIDAC-UHFFFAOYSA-N 1 3 304.221 2.451 20 0 DEADHO C[NH+]1CCC(NCCOc2ncccc2C(F)(F)F)CC1 ZINC000090605942 185306535 /nfs/dbraw/zinc/30/65/35/185306535.db2.gz RVJVVZYAWIWRRH-UHFFFAOYSA-N 1 3 303.328 2.163 20 0 DEADHO CCc1ccc([C@@H](C)NC(=O)CN2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443058004 529704594 /nfs/dbraw/zinc/70/45/94/529704594.db2.gz IQUQMLNIUKJUNE-NVXWUHKLSA-N 1 3 317.477 2.487 20 0 DEADHO CCc1ccc([C@H](C)NC(=O)CN2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443058003 529720166 /nfs/dbraw/zinc/72/01/66/529720166.db2.gz IQUQMLNIUKJUNE-DOTOQJQBSA-N 1 3 317.477 2.487 20 0 DEADHO CCc1ccc([C@H](CNC(=O)N[C@@H](C)CCC[NH3+])N(C)C)cc1 ZINC000416846123 529723353 /nfs/dbraw/zinc/72/33/53/529723353.db2.gz SYVWOJYAEOYHED-YOEHRIQHSA-N 1 3 320.481 2.278 20 0 DEADHO CN1CCN(CC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1(C)C ZINC000418158842 529772480 /nfs/dbraw/zinc/77/24/80/529772480.db2.gz YJGZJHXNGVNQOM-ROUUACIJSA-N 1 3 301.478 2.406 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N[C@@H]1CCN(CC2CC2)C1)C(C)C ZINC000080700625 539378976 /nfs/dbraw/zinc/37/89/76/539378976.db2.gz HFUXHLNSUQKDGN-QGZVFWFLSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H](C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)N1CCCCCC1 ZINC000424230012 295715452 /nfs/dbraw/zinc/71/54/52/295715452.db2.gz DTXZTXPGTZUFTP-HOTGVXAUSA-N 1 3 307.482 2.242 20 0 DEADHO C[NH2+]CCC1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000418093654 529960739 /nfs/dbraw/zinc/96/07/39/529960739.db2.gz CBDQNIXNLWQVHM-INIZCTEOSA-N 1 3 324.513 2.138 20 0 DEADHO C[NH2+]CCCNC(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000418031661 529969326 /nfs/dbraw/zinc/96/93/26/529969326.db2.gz KZOODAAATJXUSB-KRWDZBQOSA-N 1 3 320.481 2.052 20 0 DEADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000417814695 529986932 /nfs/dbraw/zinc/98/69/32/529986932.db2.gz QSNXPUXUWAHXDM-GOEBONIOSA-N 1 3 303.450 2.171 20 0 DEADHO C[NH2+]C[C@H](C)CNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000418161587 529997016 /nfs/dbraw/zinc/99/70/16/529997016.db2.gz BYZKPYZIWQMSKE-QRTARXTBSA-N 1 3 320.481 2.141 20 0 DEADHO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000093482184 539431951 /nfs/dbraw/zinc/43/19/51/539431951.db2.gz UZKQPXBHKJWWMZ-RDJZCZTQSA-N 1 3 306.450 2.362 20 0 DEADHO C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000093482184 539431953 /nfs/dbraw/zinc/43/19/53/539431953.db2.gz UZKQPXBHKJWWMZ-RDJZCZTQSA-N 1 3 306.450 2.362 20 0 DEADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cccc(CN(C)C)c1 ZINC000245433190 282387800 /nfs/dbraw/zinc/38/78/00/282387800.db2.gz PARODEPJMSWZJP-WMLDXEAASA-N 1 3 303.450 2.160 20 0 DEADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cccc(CN(C)C)c1 ZINC000245433190 282387804 /nfs/dbraw/zinc/38/78/04/282387804.db2.gz PARODEPJMSWZJP-WMLDXEAASA-N 1 3 303.450 2.160 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000615440542 362608208 /nfs/dbraw/zinc/60/82/08/362608208.db2.gz MYRPGHRLEXZCMH-UHFFFAOYSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1)N1[C@H](C)CC[C@@H]1C ZINC000615619064 362660335 /nfs/dbraw/zinc/66/03/35/362660335.db2.gz LVBQATNBQUQWDB-UIBIWLFHSA-N 1 3 307.482 2.192 20 0 DEADHO C[C@@H](C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1)N1[C@H](C)CC[C@@H]1C ZINC000615619064 362660337 /nfs/dbraw/zinc/66/03/37/362660337.db2.gz LVBQATNBQUQWDB-UIBIWLFHSA-N 1 3 307.482 2.192 20 0 DEADHO FC(F)CN1CCC(N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000153737215 539546643 /nfs/dbraw/zinc/54/66/43/539546643.db2.gz JRRJMEZJMRQQJG-CQSZACIVSA-N 1 3 301.425 2.322 20 0 DEADHO FC(F)CN1CCC(N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000153737215 539546648 /nfs/dbraw/zinc/54/66/48/539546648.db2.gz JRRJMEZJMRQQJG-CQSZACIVSA-N 1 3 301.425 2.322 20 0 DEADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C)CN(C)C ZINC000286924427 219227696 /nfs/dbraw/zinc/22/76/96/219227696.db2.gz BFXRRCFVGLWOMN-HNNXBMFYSA-N 1 3 320.481 2.276 20 0 DEADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C)CN(C)C ZINC000286924427 219227698 /nfs/dbraw/zinc/22/76/98/219227698.db2.gz BFXRRCFVGLWOMN-HNNXBMFYSA-N 1 3 320.481 2.276 20 0 DEADHO CC(C)C[C@@H](N)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000164722682 539605194 /nfs/dbraw/zinc/60/51/94/539605194.db2.gz HWRTUHHZXWGMMN-QGZVFWFLSA-N 1 3 303.450 2.272 20 0 DEADHO C[C@H]1C[C@@H](NCCc2nc3c(cccc3F)n2C)CC[N@@H+]1C ZINC000180863028 539647585 /nfs/dbraw/zinc/64/75/85/539647585.db2.gz AMYYZDNYBQJGBC-STQMWFEESA-N 1 3 304.413 2.327 20 0 DEADHO C[C@H]1C[C@@H](NCCc2nc3c(cccc3F)n2C)CC[N@H+]1C ZINC000180863028 539647586 /nfs/dbraw/zinc/64/75/86/539647586.db2.gz AMYYZDNYBQJGBC-STQMWFEESA-N 1 3 304.413 2.327 20 0 DEADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)C2(N)CCCC2)c1 ZINC000236663016 539738601 /nfs/dbraw/zinc/73/86/01/539738601.db2.gz SRTVETWPRLBILN-UHFFFAOYSA-N 1 3 303.450 2.415 20 0 DEADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C2(N)CCCC2)c1 ZINC000236663016 539738605 /nfs/dbraw/zinc/73/86/05/539738605.db2.gz SRTVETWPRLBILN-UHFFFAOYSA-N 1 3 303.450 2.415 20 0 DEADHO CC(C)C[C@@H](N)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000236715477 539738635 /nfs/dbraw/zinc/73/86/35/539738635.db2.gz IAXTXXXGLBKDPF-DOTOQJQBSA-N 1 3 305.466 2.387 20 0 DEADHO CC(C)C[C@@H](N)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000236715477 539738637 /nfs/dbraw/zinc/73/86/37/539738637.db2.gz IAXTXXXGLBKDPF-DOTOQJQBSA-N 1 3 305.466 2.387 20 0 DEADHO CC[N@@H+]1CC[C@H](N[C@@H]2COc3c(cccc3OC)C2)[C@H](C)C1 ZINC000247015853 539768034 /nfs/dbraw/zinc/76/80/34/539768034.db2.gz MOVDBPQFQRMQMA-KBMXLJTQSA-N 1 3 304.434 2.319 20 0 DEADHO CC[N@H+]1CC[C@H](N[C@@H]2COc3c(cccc3OC)C2)[C@H](C)C1 ZINC000247015853 539768037 /nfs/dbraw/zinc/76/80/37/539768037.db2.gz MOVDBPQFQRMQMA-KBMXLJTQSA-N 1 3 304.434 2.319 20 0 DEADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000262868762 186316464 /nfs/dbraw/zinc/31/64/64/186316464.db2.gz UUPJTYXVTSRARN-PBHICJAKSA-N 1 3 301.434 2.010 20 0 DEADHO CCC1(N2CCOCC2)CC[NH+](CC[C@H]2CCCCN2C)CC1 ZINC000626087073 366043325 /nfs/dbraw/zinc/04/33/25/366043325.db2.gz AZRCOUSAJNGARZ-GOSISDBHSA-N 1 3 323.525 2.438 20 0 DEADHO C[C@H](CN[C@H](C)c1cccc(-n2cnnn2)c1)C[NH+]1CCCC1 ZINC000320493619 539896620 /nfs/dbraw/zinc/89/66/20/539896620.db2.gz BIXLYYSVUJBLNR-HUUCEWRRSA-N 1 3 314.437 2.045 20 0 DEADHO C[C@H](C[NH2+][C@H](C)c1cccc(-n2cnnn2)c1)CN1CCCC1 ZINC000320493619 539896624 /nfs/dbraw/zinc/89/66/24/539896624.db2.gz BIXLYYSVUJBLNR-HUUCEWRRSA-N 1 3 314.437 2.045 20 0 DEADHO CCO[C@H]1C[C@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C1(C)C ZINC000182090948 199385137 /nfs/dbraw/zinc/38/51/37/199385137.db2.gz CTDLCKUIKMKYFK-HOTGVXAUSA-N 1 3 321.465 2.315 20 0 DEADHO CCCN(C(=O)NC[C@@H](c1ccccc1)N(C)C)[C@@H]1CC[NH2+]C1 ZINC000416800730 283004338 /nfs/dbraw/zinc/00/43/38/283004338.db2.gz GAFZNZONUVGUOR-SJORKVTESA-N 1 3 318.465 2.073 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCC[NH+](C)C)C1 ZINC000054717908 354472016 /nfs/dbraw/zinc/47/20/16/354472016.db2.gz WQRMILPZOGGCDB-RDJZCZTQSA-N 1 3 318.465 2.073 20 0 DEADHO C(CN1CCC2(C1)CCOCC2)C[N@@H+]1CCC2(C1)CCOCC2 ZINC000072899031 354928952 /nfs/dbraw/zinc/92/89/52/354928952.db2.gz GKJPZTPQRKJQTK-UHFFFAOYSA-N 1 3 322.493 2.382 20 0 DEADHO C(CN1CCC2(C1)CCOCC2)C[N@H+]1CCC2(C1)CCOCC2 ZINC000072899031 354928957 /nfs/dbraw/zinc/92/89/57/354928957.db2.gz GKJPZTPQRKJQTK-UHFFFAOYSA-N 1 3 322.493 2.382 20 0 DEADHO CN(C)C/C=C/C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000073102809 354943088 /nfs/dbraw/zinc/94/30/88/354943088.db2.gz FBCUJVWXEXQMAB-AATRIKPKSA-N 1 3 314.433 2.259 20 0 DEADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1CCCCC1 ZINC000074504261 355034226 /nfs/dbraw/zinc/03/42/26/355034226.db2.gz IPSBTBFRVQYCQO-OAHLLOKOSA-N 1 3 312.502 2.090 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCN(C2CCCC2)CC1 ZINC000360801044 283083160 /nfs/dbraw/zinc/08/31/60/283083160.db2.gz PPDFDEBOTYTBMN-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCN(C2CCCC2)CC1 ZINC000360801044 283083164 /nfs/dbraw/zinc/08/31/64/283083164.db2.gz PPDFDEBOTYTBMN-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO CN1CCC(O)(C[NH2+]Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000077450492 355205779 /nfs/dbraw/zinc/20/57/79/355205779.db2.gz GCYSHYWDIKUEHZ-UHFFFAOYSA-N 1 3 318.339 2.132 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000382730152 540123730 /nfs/dbraw/zinc/12/37/30/540123730.db2.gz ZVHYUTIUUUILHH-APWZRJJASA-N 1 3 315.461 2.109 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000081290248 355416759 /nfs/dbraw/zinc/41/67/59/355416759.db2.gz IJKCFMHSJSQABT-SJORKVTESA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000081290248 355416762 /nfs/dbraw/zinc/41/67/62/355416762.db2.gz IJKCFMHSJSQABT-SJORKVTESA-N 1 3 307.482 2.242 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+][C@@H]2CCCOC2)CC1 ZINC000088716310 355518443 /nfs/dbraw/zinc/51/84/43/355518443.db2.gz XGYMSYLAFPGSOO-QGZVFWFLSA-N 1 3 303.450 2.097 20 0 DEADHO COC(=O)[C@]1(C)CCN(Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000093813497 355687884 /nfs/dbraw/zinc/68/78/84/355687884.db2.gz RRRBRTSOTOWAOE-GOSISDBHSA-N 1 3 320.433 2.012 20 0 DEADHO CC[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000130308057 355840864 /nfs/dbraw/zinc/84/08/64/355840864.db2.gz YYUYHVJBTNCWFI-WMLDXEAASA-N 1 3 303.450 2.272 20 0 DEADHO CC[C@@H](N)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000130308057 355840867 /nfs/dbraw/zinc/84/08/67/355840867.db2.gz YYUYHVJBTNCWFI-WMLDXEAASA-N 1 3 303.450 2.272 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000150288115 355921548 /nfs/dbraw/zinc/92/15/48/355921548.db2.gz FZGZSSNUIMACAS-OAHLLOKOSA-N 1 3 323.506 2.417 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000150288115 355921549 /nfs/dbraw/zinc/92/15/49/355921549.db2.gz FZGZSSNUIMACAS-OAHLLOKOSA-N 1 3 323.506 2.417 20 0 DEADHO CCS(=O)(=O)C[C@@H](C)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000182456718 356127324 /nfs/dbraw/zinc/12/73/24/356127324.db2.gz PCAHKNQJIRTGJH-OWCLPIDISA-N 1 3 318.527 2.157 20 0 DEADHO CCS(=O)(=O)C[C@@H](C)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000182456718 356127325 /nfs/dbraw/zinc/12/73/25/356127325.db2.gz PCAHKNQJIRTGJH-OWCLPIDISA-N 1 3 318.527 2.157 20 0 DEADHO Cc1cccc(OC[C@@H](O)C[NH2+]C[C@@H](C)CN2CCCC2)c1 ZINC000315053219 356421775 /nfs/dbraw/zinc/42/17/75/356421775.db2.gz PRCHEHWFEMOTAF-SJORKVTESA-N 1 3 306.450 2.056 20 0 DEADHO CCc1cccc(OC[C@H](O)CN[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000317423555 356433964 /nfs/dbraw/zinc/43/39/64/356433964.db2.gz OKKUREYVYGKMKV-BHYGNILZSA-N 1 3 306.450 2.061 20 0 DEADHO CCc1cccc(OC[C@H](O)CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000317423555 356433969 /nfs/dbraw/zinc/43/39/69/356433969.db2.gz OKKUREYVYGKMKV-BHYGNILZSA-N 1 3 306.450 2.061 20 0 DEADHO CCC[N@H+](CC)CCNC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000351878344 283170788 /nfs/dbraw/zinc/17/07/88/283170788.db2.gz IKLZBXDLHOIOGC-MRXNPFEDSA-N 1 3 312.502 2.138 20 0 DEADHO CCC[N@@H+](CC)CCNC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000351878344 283170790 /nfs/dbraw/zinc/17/07/90/283170790.db2.gz IKLZBXDLHOIOGC-MRXNPFEDSA-N 1 3 312.502 2.138 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000618355577 363471149 /nfs/dbraw/zinc/47/11/49/363471149.db2.gz YQYLSXLOHFPOPX-GOSISDBHSA-N 1 3 317.477 2.102 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000618355577 363471152 /nfs/dbraw/zinc/47/11/52/363471152.db2.gz YQYLSXLOHFPOPX-GOSISDBHSA-N 1 3 317.477 2.102 20 0 DEADHO CC[NH+]1CCC(N(C)C(=O)[C@H](C)[C@H](N)c2ccccc2)CC1 ZINC000236854921 202038858 /nfs/dbraw/zinc/03/88/58/202038858.db2.gz YIHICXKJZSKHKI-PBHICJAKSA-N 1 3 303.450 2.265 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000236880319 202050131 /nfs/dbraw/zinc/05/01/31/202050131.db2.gz ZHVQZUSDGWXGEH-DLBZAZTESA-N 1 3 303.450 2.328 20 0 DEADHO C[C@H]1C[C@@H](c2nc(CC3=N[C@@H]4CCCC[C@H]4N3)no2)CC[N@@H+]1C ZINC000351277169 356646877 /nfs/dbraw/zinc/64/68/77/356646877.db2.gz MUHLAVABPXPINW-IGQOVBAYSA-N 1 3 317.437 2.123 20 0 DEADHO C[C@H]1C[C@@H](c2nc(CC3=N[C@@H]4CCCC[C@H]4N3)no2)CC[N@H+]1C ZINC000351277169 356646879 /nfs/dbraw/zinc/64/68/79/356646879.db2.gz MUHLAVABPXPINW-IGQOVBAYSA-N 1 3 317.437 2.123 20 0 DEADHO CC[NH2+]CC1CCN(C(=O)[C@H](C)[C@H](N)c2ccccc2)CC1 ZINC000237026467 202127564 /nfs/dbraw/zinc/12/75/64/202127564.db2.gz STJUWJHHCNPYTN-PBHICJAKSA-N 1 3 303.450 2.171 20 0 DEADHO CN(C)Cc1ccccc1CNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000237038930 202130485 /nfs/dbraw/zinc/13/04/85/202130485.db2.gz SUTPVISMUFSSQJ-SFHVURJKSA-N 1 3 311.429 2.107 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000237047020 202134009 /nfs/dbraw/zinc/13/40/09/202134009.db2.gz MLNCLGJEOUYAMI-ZDUSSCGKSA-N 1 3 315.417 2.224 20 0 DEADHO Brc1cncc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000380919643 356669807 /nfs/dbraw/zinc/66/98/07/356669807.db2.gz CGVXWDSVIUJKGS-BETUJISGSA-N 1 3 310.239 2.276 20 0 DEADHO CN(CCCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000237072321 202143262 /nfs/dbraw/zinc/14/32/62/202143262.db2.gz WJTRMUCVWVCIBO-DLBZAZTESA-N 1 3 303.450 2.142 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618660364 363564496 /nfs/dbraw/zinc/56/44/96/363564496.db2.gz JCXSOZQUUOQSMA-DOTOQJQBSA-N 1 3 307.482 2.384 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618660364 363564500 /nfs/dbraw/zinc/56/45/00/363564500.db2.gz JCXSOZQUUOQSMA-DOTOQJQBSA-N 1 3 307.482 2.384 20 0 DEADHO CC[N@H+](Cc1ccc(C(=O)N2CCCNCC2)cc1)C1CC1 ZINC000428439259 283215540 /nfs/dbraw/zinc/21/55/40/283215540.db2.gz BVJZJNHSZVOYAJ-UHFFFAOYSA-N 1 3 301.434 2.106 20 0 DEADHO CC[N@@H+](Cc1ccc(C(=O)N2CCCNCC2)cc1)C1CC1 ZINC000428439259 283215542 /nfs/dbraw/zinc/21/55/42/283215542.db2.gz BVJZJNHSZVOYAJ-UHFFFAOYSA-N 1 3 301.434 2.106 20 0 DEADHO CN(C)CCN1CCC([NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000237166246 202172644 /nfs/dbraw/zinc/17/26/44/202172644.db2.gz LLZUHAWDPUWWJB-UHFFFAOYSA-N 1 3 300.450 2.284 20 0 DEADHO CNCC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000237244530 202203028 /nfs/dbraw/zinc/20/30/28/202203028.db2.gz OSEWDNBYHUIJGB-HUUCEWRRSA-N 1 3 303.450 2.000 20 0 DEADHO N[C@H]1Cc2ccccc2N(C(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000581365009 357174049 /nfs/dbraw/zinc/17/40/49/357174049.db2.gz ZMSQBKHZHNMGME-IRXDYDNUSA-N 1 3 309.413 2.383 20 0 DEADHO CC(C)N1C[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000584788956 357309961 /nfs/dbraw/zinc/30/99/61/357309961.db2.gz SAKGMFLNRKTXNI-CRAIPNDOSA-N 1 3 317.477 2.249 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)N[C@@H](C)CCC[NH3+] ZINC000418709521 283253571 /nfs/dbraw/zinc/25/35/71/283253571.db2.gz RJTGFCYODGYKMS-INIZCTEOSA-N 1 3 312.502 2.411 20 0 DEADHO CC[C@H](NCc1ccc(C[NH3+])cc1F)C1(C(=O)OC)CCC1 ZINC000593320709 358053736 /nfs/dbraw/zinc/05/37/36/358053736.db2.gz DOFQVIUOQXCYLT-HNNXBMFYSA-N 1 3 308.397 2.496 20 0 DEADHO NCc1cn([C@H]2CCC[N@H+](Cc3ccc4cnccc4c3)C2)nn1 ZINC000667040113 540384095 /nfs/dbraw/zinc/38/40/95/540384095.db2.gz PBJFJXWQAGHNDY-SFHVURJKSA-N 1 3 322.416 2.122 20 0 DEADHO NCc1cn([C@H]2CCC[N@@H+](Cc3ccc4cnccc4c3)C2)nn1 ZINC000667040113 540384098 /nfs/dbraw/zinc/38/40/98/540384098.db2.gz PBJFJXWQAGHNDY-SFHVURJKSA-N 1 3 322.416 2.122 20 0 DEADHO NCc1cn([C@@H]2CCC[N@H+](Cc3cccc4cnccc43)C2)nn1 ZINC000667040138 540384619 /nfs/dbraw/zinc/38/46/19/540384619.db2.gz YJTCQCLXVXGFNH-QGZVFWFLSA-N 1 3 322.416 2.122 20 0 DEADHO NCc1cn([C@@H]2CCC[N@@H+](Cc3cccc4cnccc43)C2)nn1 ZINC000667040138 540384620 /nfs/dbraw/zinc/38/46/20/540384620.db2.gz YJTCQCLXVXGFNH-QGZVFWFLSA-N 1 3 322.416 2.122 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000667854171 540539962 /nfs/dbraw/zinc/53/99/62/540539962.db2.gz WPBVGRYFEBNBOD-MRXNPFEDSA-N 1 3 302.422 2.284 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CO[C@@H](C3CC3)C2)[C@H](C)C1 ZINC000667862351 540541242 /nfs/dbraw/zinc/54/12/42/540541242.db2.gz SNQIFYDNWDZEJS-LAVFITLUSA-N 1 3 310.482 2.281 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CO[C@@H](C3CC3)C2)[C@H](C)C1 ZINC000667862351 540541244 /nfs/dbraw/zinc/54/12/44/540541244.db2.gz SNQIFYDNWDZEJS-LAVFITLUSA-N 1 3 310.482 2.281 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000237868701 202374297 /nfs/dbraw/zinc/37/42/97/202374297.db2.gz XQCVYUVMSFYUDK-SJLPKXTDSA-N 1 3 315.461 2.069 20 0 DEADHO CC(C)[C@H](C(=O)NCc1ccc2c(c1)C[NH2+]C2)N1CCCCC1 ZINC000188706657 200290923 /nfs/dbraw/zinc/29/09/23/200290923.db2.gz DDXLCWIOWSPDKQ-GOSISDBHSA-N 1 3 315.461 2.417 20 0 DEADHO CC(C)(C[NH+]1CCC(N2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000668739049 540722095 /nfs/dbraw/zinc/72/20/95/540722095.db2.gz IRZPVYVWQXAOPJ-GOSISDBHSA-N 1 3 302.462 2.495 20 0 DEADHO O[C@@H]1CCN(C2CC[NH+](C[C@H]3CCOc4ccccc43)CC2)C1 ZINC000668740318 540723006 /nfs/dbraw/zinc/72/30/06/540723006.db2.gz TUSPTGJBQCCTBJ-NVXWUHKLSA-N 1 3 316.445 2.084 20 0 DEADHO O[C@@H]1CCN(C2CC[NH+](Cc3cccc4c3CCC4)CC2)C1 ZINC000668740243 540723177 /nfs/dbraw/zinc/72/31/77/540723177.db2.gz SCDHPSARCKNMQS-GOSISDBHSA-N 1 3 300.446 2.206 20 0 DEADHO C[C@H]1C[C@@H](C[NH3+])CN1CCC(=O)Nc1ccc(Cl)cc1F ZINC000442796714 238079457 /nfs/dbraw/zinc/07/94/57/238079457.db2.gz VYYHWPFFWODCOH-QWRGUYRKSA-N 1 3 313.804 2.477 20 0 DEADHO Cc1ccccc1CCNC(=O)[C@H](C)N1CCC[C@H](CC[NH3+])C1 ZINC000443057858 238099890 /nfs/dbraw/zinc/09/98/90/238099890.db2.gz IJYDULSJSODSGO-DLBZAZTESA-N 1 3 317.477 2.103 20 0 DEADHO C[C@H]([NH3+])CNC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000669402612 540826108 /nfs/dbraw/zinc/82/61/08/540826108.db2.gz RNVCOEOCNYHHTF-DOTOQJQBSA-N 1 3 318.465 2.106 20 0 DEADHO C[C@H](CNC(=O)N[C@H](C)C1CC[NH+](C)CC1)N1CCC(C)CC1 ZINC000606659942 361029911 /nfs/dbraw/zinc/02/99/11/361029911.db2.gz DWZQISVLBNRMBC-HZPDHXFCSA-N 1 3 324.513 2.136 20 0 DEADHO CN(C)CCOc1cccc(NC(=O)CCCC[NH+](C)C)c1 ZINC000607337766 361082339 /nfs/dbraw/zinc/08/23/39/361082339.db2.gz GSEXRQJLHMBMLD-UHFFFAOYSA-N 1 3 307.438 2.297 20 0 DEADHO NC[C@H]1CCC[C@H]1[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000521423864 283623963 /nfs/dbraw/zinc/62/39/63/283623963.db2.gz ZJSJKZGXVNGDLW-RHSMWYFYSA-N 1 3 322.497 2.210 20 0 DEADHO CCC[C@H](C)NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000608616572 361240904 /nfs/dbraw/zinc/24/09/04/361240904.db2.gz YEJWWULFNVMYEH-HOTGVXAUSA-N 1 3 312.502 2.233 20 0 DEADHO CCC[C@H](C)NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000608616572 361240910 /nfs/dbraw/zinc/24/09/10/361240910.db2.gz YEJWWULFNVMYEH-HOTGVXAUSA-N 1 3 312.502 2.233 20 0 DEADHO CC[C@@H](CN1CCCC1)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000672942698 541076725 /nfs/dbraw/zinc/07/67/25/541076725.db2.gz MFXBWXCLUQJWIR-PMRDEQMMSA-N 1 3 322.497 2.127 20 0 DEADHO CC[C@@H](CN1CCCC1)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000672942698 541076727 /nfs/dbraw/zinc/07/67/27/541076727.db2.gz MFXBWXCLUQJWIR-PMRDEQMMSA-N 1 3 322.497 2.127 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000672942622 541076850 /nfs/dbraw/zinc/07/68/50/541076850.db2.gz JOSQKEBDASQBTO-ZACQAIPSSA-N 1 3 322.497 2.129 20 0 DEADHO CN1CCN(Cc2ccc(C[NH2+]C[C@H]3CCC=CO3)cc2)CC1 ZINC000194211810 201198918 /nfs/dbraw/zinc/19/89/18/201198918.db2.gz NABACNWNGJDDCO-LJQANCHMSA-N 1 3 315.461 2.216 20 0 DEADHO C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000673749768 541140330 /nfs/dbraw/zinc/14/03/30/541140330.db2.gz JWNSZWXDIBBIRM-FUHWJXTLSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000673749768 541140333 /nfs/dbraw/zinc/14/03/33/541140333.db2.gz JWNSZWXDIBBIRM-FUHWJXTLSA-N 1 3 315.461 2.061 20 0 DEADHO CC[C@@H](CN1CCCC1)NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000675197071 541301276 /nfs/dbraw/zinc/30/12/76/541301276.db2.gz GJIMELYMLGFWCM-INIZCTEOSA-N 1 3 324.513 2.472 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000621103439 364254955 /nfs/dbraw/zinc/25/49/55/364254955.db2.gz CAWGFGBFXLYDJE-DLBZAZTESA-N 1 3 307.482 2.099 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000621103439 364254965 /nfs/dbraw/zinc/25/49/65/364254965.db2.gz CAWGFGBFXLYDJE-DLBZAZTESA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)[C@@H]1CN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC[NH2+]1 ZINC000621152160 364280383 /nfs/dbraw/zinc/28/03/83/364280383.db2.gz QMWSBVQFJGDLIA-ROUUACIJSA-N 1 3 315.461 2.107 20 0 DEADHO CN(C)[C@@H](CNC(=O)NCC1([NH+](C)C)CCC1)c1ccccc1 ZINC000275527770 212395832 /nfs/dbraw/zinc/39/58/32/212395832.db2.gz WMZVWYSTEQGDIL-INIZCTEOSA-N 1 3 318.465 2.073 20 0 DEADHO CC(C)CN(C(=O)CC[C@@H]1CCC[NH2+]C1)C1CCN(C)CC1 ZINC000621659690 364493189 /nfs/dbraw/zinc/49/31/89/364493189.db2.gz PLLSITHLQPGVPB-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)(C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)[C@@H](N)c1ccccc1 ZINC000621683292 364504760 /nfs/dbraw/zinc/50/47/60/364504760.db2.gz SUWRFNGOFRYBAB-MPGHIAIKSA-N 1 3 301.434 2.052 20 0 DEADHO COc1ccc2c(c1)C[C@H]([NH2+]CCCN(C)CCN(C)C)CC2 ZINC000623087684 364878977 /nfs/dbraw/zinc/87/89/77/364878977.db2.gz CGGNMPJNOHZMIV-GOSISDBHSA-N 1 3 319.493 2.026 20 0 DEADHO C[C@H](NC1CC1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000449073228 240009955 /nfs/dbraw/zinc/00/99/55/240009955.db2.gz RTPMKGPLMXGALN-HNNXBMFYSA-N 1 3 315.461 2.429 20 0 DEADHO CCO[C@@H](CC[NH+](C)C)CNCc1ccnn1C1CCCC1 ZINC000449227045 240219288 /nfs/dbraw/zinc/21/92/88/240219288.db2.gz ZNRGTPNHHULSLT-KRWDZBQOSA-N 1 3 308.470 2.445 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]CC2(CC)COC2)CC1 ZINC000449601338 240755002 /nfs/dbraw/zinc/75/50/02/240755002.db2.gz RDVSQIFEVBDNOJ-UHFFFAOYSA-N 1 3 317.477 2.345 20 0 DEADHO C[C@@H](NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC000418190475 296087134 /nfs/dbraw/zinc/08/71/34/296087134.db2.gz WHKPKHQSRPUHTJ-MUIFIZLQSA-N 1 3 318.465 2.118 20 0 DEADHO C[NH+]1CCC(CNC(=O)[C@@H]2CCCCN2C2CCCC2)CC1 ZINC000449836137 241143526 /nfs/dbraw/zinc/14/35/26/241143526.db2.gz RWCXDTCJQQYDBF-KRWDZBQOSA-N 1 3 307.482 2.242 20 0 DEADHO NC1(C[NH2+]Cc2cc(Cl)cc3cccnc32)CCOCC1 ZINC000629387736 367186808 /nfs/dbraw/zinc/18/68/08/367186808.db2.gz JTYKVZCLVDEAEY-UHFFFAOYSA-N 1 3 305.809 2.486 20 0 DEADHO Cc1ccc2c(CCNC[C@@H](O)C[NH+]3CCCC3)c[nH]c2c1 ZINC000629558079 367249542 /nfs/dbraw/zinc/24/95/42/367249542.db2.gz ACJRSZQSTWEAKJ-MRXNPFEDSA-N 1 3 301.434 2.065 20 0 DEADHO COc1ccc([C@H](C)CCNC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000629563974 367255073 /nfs/dbraw/zinc/25/50/73/367255073.db2.gz ITVAGQHJLNOWCC-WBVHZDCISA-N 1 3 306.450 2.235 20 0 DEADHO O=c1ccc(CNC[C@H]2CC[N@H+](CCc3ccccc3)C2)c[nH]1 ZINC000631062692 367997407 /nfs/dbraw/zinc/99/74/07/367997407.db2.gz RPLCWYSEDDZTKB-GOSISDBHSA-N 1 3 311.429 2.441 20 0 DEADHO O=c1ccc(CNC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c[nH]1 ZINC000631062692 367997409 /nfs/dbraw/zinc/99/74/09/367997409.db2.gz RPLCWYSEDDZTKB-GOSISDBHSA-N 1 3 311.429 2.441 20 0 DEADHO O=c1ccc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)c[nH]1 ZINC000631062692 367997413 /nfs/dbraw/zinc/99/74/13/367997413.db2.gz RPLCWYSEDDZTKB-GOSISDBHSA-N 1 3 311.429 2.441 20 0 DEADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccc(C)cc2F)CC1 ZINC000631065367 367997887 /nfs/dbraw/zinc/99/78/87/367997887.db2.gz YABIMLHTPQBWKW-INIZCTEOSA-N 1 3 307.457 2.497 20 0 DEADHO COc1ccccc1N1CCC([NH2+]C[C@@H](C)CN(C)C)CC1 ZINC000631138741 368040607 /nfs/dbraw/zinc/04/06/07/368040607.db2.gz ABYYRMBFMKRGCN-OAHLLOKOSA-N 1 3 305.466 2.451 20 0 DEADHO C[C@@H](c1ccncc1)[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000677905103 541645631 /nfs/dbraw/zinc/64/56/31/541645631.db2.gz NFNPAUUQCFJETH-RYRKJORJSA-N 1 3 302.466 2.100 20 0 DEADHO C[C@@H](c1ccncc1)[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000677905103 541645635 /nfs/dbraw/zinc/64/56/35/541645635.db2.gz NFNPAUUQCFJETH-RYRKJORJSA-N 1 3 302.466 2.100 20 0 DEADHO CO[C@H]1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000678270346 541703941 /nfs/dbraw/zinc/70/39/41/541703941.db2.gz KRHMTKPASAWDFN-SFHVURJKSA-N 1 3 304.434 2.382 20 0 DEADHO N[C@H](CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)c1ccccc1 ZINC000261675666 203092373 /nfs/dbraw/zinc/09/23/73/203092373.db2.gz HXCTZWZNSPFZAV-RCCFBDPRSA-N 1 3 309.413 2.030 20 0 DEADHO CCc1ccc([C@H](CNC(=O)CC[C@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000261882111 203142145 /nfs/dbraw/zinc/14/21/45/203142145.db2.gz UGWZUYINBNKBTL-WMZOPIPTSA-N 1 3 317.477 2.358 20 0 DEADHO O=C(CC[C@H]1CC[NH2+]C1)N1CCCN(Cc2ccccc2)CC1 ZINC000261902049 203147532 /nfs/dbraw/zinc/14/75/32/203147532.db2.gz VDMXQOPDKNLGRX-KRWDZBQOSA-N 1 3 315.461 2.111 20 0 DEADHO CC(C)[C@H](N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262170917 203217257 /nfs/dbraw/zinc/21/72/57/203217257.db2.gz XEXFLJUCCMSKAD-PVAVHDDUSA-N 1 3 303.450 2.139 20 0 DEADHO CC(C)[C@H](N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262170917 203217258 /nfs/dbraw/zinc/21/72/58/203217258.db2.gz XEXFLJUCCMSKAD-PVAVHDDUSA-N 1 3 303.450 2.139 20 0 DEADHO CCC[C@@](C)(N)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000262175762 203219285 /nfs/dbraw/zinc/21/92/85/203219285.db2.gz YCCPEYIYFPGMOO-LJQANCHMSA-N 1 3 317.477 2.327 20 0 DEADHO C[C@@H](C(=O)Nc1ccc(OCC[NH3+])cc1)[C@H](N)c1ccccc1 ZINC000262236122 203237691 /nfs/dbraw/zinc/23/76/91/203237691.db2.gz ALFLWJQVFIQJNW-DYVFJYSZSA-N 1 3 313.401 2.299 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)CN1Cc1ccccc1 ZINC000262417595 203290304 /nfs/dbraw/zinc/29/03/04/203290304.db2.gz QAWRCSJAOYIYMD-MVJTYMMSSA-N 1 3 315.461 2.154 20 0 DEADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000262586974 203341319 /nfs/dbraw/zinc/34/13/19/203341319.db2.gz PFAJJIKLUZXTBT-CRAIPNDOSA-N 1 3 315.461 2.482 20 0 DEADHO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)CC1CC[NH2+]CC1 ZINC000094011076 193338279 /nfs/dbraw/zinc/33/82/79/193338279.db2.gz FYMFXUJWSYLWDK-CYBMUJFWSA-N 1 3 310.463 2.083 20 0 DEADHO CCN(C(=O)[C@H](C)N1CCC([C@H](C)[NH3+])CC1)c1ccccc1 ZINC000430931277 284228452 /nfs/dbraw/zinc/22/84/52/284228452.db2.gz WDOMJYJWAAIRDA-GJZGRUSLSA-N 1 3 303.450 2.487 20 0 DEADHO O=C1Nc2ccccc2C[C@@H]1NC1CCN(c2cc[nH+]cc2)CC1 ZINC000529667746 284235798 /nfs/dbraw/zinc/23/57/98/284235798.db2.gz DHODAYJRJOKJNC-SFHVURJKSA-N 1 3 322.412 2.203 20 0 DEADHO CC(C)n1cc([C@@H](C)[NH2+]CCCCN2CCN(C)CC2)cn1 ZINC000154428332 291588530 /nfs/dbraw/zinc/58/85/30/291588530.db2.gz DJUGDGYMVKQFPA-MRXNPFEDSA-N 1 3 307.486 2.142 20 0 DEADHO C[C@@H](CNC(=O)NC(C)(C)C[NH+](C)C)N(C)Cc1ccccc1 ZINC000458379896 248282789 /nfs/dbraw/zinc/28/27/89/248282789.db2.gz ODUQCXACZMARJZ-HNNXBMFYSA-N 1 3 320.481 2.146 20 0 DEADHO C[C@@H]1[C@@H](C)N(Cc2ccc(OCC[NH+](C)C)cc2)CCN1C ZINC000681490940 542156047 /nfs/dbraw/zinc/15/60/47/542156047.db2.gz FPEKEVOAFAHOQL-HZPDHXFCSA-N 1 3 305.466 2.151 20 0 DEADHO C[C@H]1C[C@@H]1C[NH+]1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000488355989 248794425 /nfs/dbraw/zinc/79/44/25/248794425.db2.gz YLFORRACRLKIMZ-PKOBYXMFSA-N 1 3 301.478 2.392 20 0 DEADHO CN(C)C/C=C\C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000492833127 249150813 /nfs/dbraw/zinc/15/08/13/249150813.db2.gz DBAGJXSLRHCGGF-FLIBITNWSA-N 1 3 315.461 2.407 20 0 DEADHO CO[C@H]1CN(Cc2ccc(OCC[NH+](C)C)cc2)CC[C@H]1C ZINC000682245308 542281182 /nfs/dbraw/zinc/28/11/82/542281182.db2.gz HQINKPMVSBNHHZ-QAPCUYQASA-N 1 3 306.450 2.484 20 0 DEADHO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000269126751 207259453 /nfs/dbraw/zinc/25/94/53/207259453.db2.gz FKXJPWCNSYUSDJ-SJORKVTESA-N 1 3 302.418 2.389 20 0 DEADHO COC(=O)c1ccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000269126751 207259457 /nfs/dbraw/zinc/25/94/57/207259457.db2.gz FKXJPWCNSYUSDJ-SJORKVTESA-N 1 3 302.418 2.389 20 0 DEADHO C[C@H](c1cccc(Cl)c1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178506 184276785 /nfs/dbraw/zinc/27/67/85/184276785.db2.gz DYJVGYAGGBNRSK-OCCSQVGLSA-N 1 3 309.841 2.188 20 0 DEADHO C[NH2+]CCCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000269252058 207393515 /nfs/dbraw/zinc/39/35/15/207393515.db2.gz HGAQFFWOSPCSSK-DOTOQJQBSA-N 1 3 303.450 2.013 20 0 DEADHO CC(C)[C@](C)(C[NH3+])NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000269258602 207399932 /nfs/dbraw/zinc/39/99/32/207399932.db2.gz IJJQRXSJNOKNCK-IBGZPJMESA-N 1 3 317.477 2.388 20 0 DEADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000416829760 532999292 /nfs/dbraw/zinc/99/92/92/532999292.db2.gz NNEAZIIZNPCEAO-CABCVRRESA-N 1 3 310.486 2.020 20 0 DEADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc3[nH]cnc3c2)C1 ZINC000539849700 285097157 /nfs/dbraw/zinc/09/71/57/285097157.db2.gz VHELZXJNJPCMTN-INIZCTEOSA-N 1 3 316.449 2.496 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000683420125 542447295 /nfs/dbraw/zinc/44/72/95/542447295.db2.gz BJGGEYDFYQKFSA-WBVHZDCISA-N 1 3 322.497 2.175 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC1(C)C ZINC000358490156 285244867 /nfs/dbraw/zinc/24/48/67/285244867.db2.gz YYWXTJCKYPBOPU-CVEARBPZSA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC1(C)C ZINC000358490156 285244868 /nfs/dbraw/zinc/24/48/68/285244868.db2.gz YYWXTJCKYPBOPU-CVEARBPZSA-N 1 3 324.513 2.233 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000341028762 285258266 /nfs/dbraw/zinc/25/82/66/285258266.db2.gz LEWJXXAYMRTRCF-YYIAUSFCSA-N 1 3 324.513 2.136 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000341028762 285258270 /nfs/dbraw/zinc/25/82/70/285258270.db2.gz LEWJXXAYMRTRCF-YYIAUSFCSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H](C(=O)N1CCCc2ccccc21)N1CCC[C@H](CC[NH3+])C1 ZINC000443059383 533204906 /nfs/dbraw/zinc/20/49/06/533204906.db2.gz MORFOLLYFSVLEA-JKSUJKDBSA-N 1 3 315.461 2.415 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C1CCCCC1 ZINC000346616201 285275653 /nfs/dbraw/zinc/27/56/53/285275653.db2.gz DOPCMJFIYJPRGS-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C1CCCCC1 ZINC000346616201 285275655 /nfs/dbraw/zinc/27/56/55/285275655.db2.gz DOPCMJFIYJPRGS-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cnccc1N ZINC000422912011 533377478 /nfs/dbraw/zinc/37/74/78/533377478.db2.gz MBVOBSBEDODWRE-QLFBSQMISA-N 1 3 306.454 2.034 20 0 DEADHO COc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(OC)c1OC ZINC000422705365 533496758 /nfs/dbraw/zinc/49/67/58/533496758.db2.gz RJUIKLCKZBVOAI-YIONKMFJSA-N 1 3 320.433 2.128 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(O)cc1 ZINC000685456080 542726326 /nfs/dbraw/zinc/72/63/26/542726326.db2.gz BCPZPTRUVVWOCJ-KRWDZBQOSA-N 1 3 305.466 2.240 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(O)cc1 ZINC000685456080 542726330 /nfs/dbraw/zinc/72/63/30/542726330.db2.gz BCPZPTRUVVWOCJ-KRWDZBQOSA-N 1 3 305.466 2.240 20 0 DEADHO CCc1nc(CCN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)no1 ZINC000562748117 292008410 /nfs/dbraw/zinc/00/84/10/292008410.db2.gz WJZVJQMVIGHSMQ-LSDHHAIUSA-N 1 3 300.406 2.257 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C)CC[C@@H]1C ZINC000355403003 133024091 /nfs/dbraw/zinc/02/40/91/133024091.db2.gz NERDJILMLOTPNU-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C)CC[C@@H]1C ZINC000355403003 133024092 /nfs/dbraw/zinc/02/40/92/133024092.db2.gz NERDJILMLOTPNU-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000355412329 133025295 /nfs/dbraw/zinc/02/52/95/133025295.db2.gz PKMFWLPKQLOUJR-HOTGVXAUSA-N 1 3 307.482 2.336 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000355442620 133027427 /nfs/dbraw/zinc/02/74/27/133027427.db2.gz DWXFEAUARXVAEK-IRXDYDNUSA-N 1 3 322.497 2.177 20 0 DEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000355442620 133027428 /nfs/dbraw/zinc/02/74/28/133027428.db2.gz DWXFEAUARXVAEK-IRXDYDNUSA-N 1 3 322.497 2.177 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000355635400 133039017 /nfs/dbraw/zinc/03/90/17/133039017.db2.gz KCTFUXPDWZBNRH-CVEARBPZSA-N 1 3 324.513 2.280 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000355635400 133039018 /nfs/dbraw/zinc/03/90/18/133039018.db2.gz KCTFUXPDWZBNRH-CVEARBPZSA-N 1 3 324.513 2.280 20 0 DEADHO CNC(=O)C[C@@H](C)NCc1ccccc1C[NH+]1CCCCC1 ZINC000356076589 133064347 /nfs/dbraw/zinc/06/43/47/133064347.db2.gz JDEYWYZMFUXPCD-OAHLLOKOSA-N 1 3 303.450 2.287 20 0 DEADHO CC[C@@H](C)[NH2+][C@@H](CNC(=O)N1CCCN(C)CC1)c1ccco1 ZINC000357521293 133082723 /nfs/dbraw/zinc/08/27/23/133082723.db2.gz QROKMBVTWZGOAO-CABCVRRESA-N 1 3 322.453 2.056 20 0 DEADHO COC(=O)c1ccccc1CCN1CCC(C[NH+](C)C)CC1 ZINC000359828400 133147686 /nfs/dbraw/zinc/14/76/86/133147686.db2.gz FJKCCLQBZAQKRB-UHFFFAOYSA-N 1 3 304.434 2.289 20 0 DEADHO C[C@H]1C[N@H+](C)C[C@@H]1c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000359925835 133153338 /nfs/dbraw/zinc/15/33/38/133153338.db2.gz SRSATVCEKHBDDY-WFASDCNBSA-N 1 3 300.406 2.463 20 0 DEADHO C[C@H]1C[N@@H+](C)C[C@@H]1c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000359925835 133153339 /nfs/dbraw/zinc/15/33/39/133153339.db2.gz SRSATVCEKHBDDY-WFASDCNBSA-N 1 3 300.406 2.463 20 0 DEADHO CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000360049694 133159288 /nfs/dbraw/zinc/15/92/88/133159288.db2.gz GFERGESADBNZEP-RDJZCZTQSA-N 1 3 324.513 2.233 20 0 DEADHO Cc1cccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000376203678 133286777 /nfs/dbraw/zinc/28/67/77/133286777.db2.gz QTMVMHDOLLQFCC-MJGOQNOKSA-N 1 3 301.478 2.453 20 0 DEADHO C[C@@H](NC(=O)N1CCCC12CCN(C)CC2)C(C)(C)C[NH+](C)C ZINC000376818925 133309097 /nfs/dbraw/zinc/30/90/97/133309097.db2.gz OLGXSKHCHZEVGK-OAHLLOKOSA-N 1 3 324.513 2.233 20 0 DEADHO C(CN[C@@H]1CCCC[C@@H]1N1CCOCC1)C[NH+]1CCCCC1 ZINC000373068175 133376872 /nfs/dbraw/zinc/37/68/72/133376872.db2.gz DNIJAXAMUSAPHR-MSOLQXFVSA-N 1 3 309.498 2.095 20 0 DEADHO CC(C)(C(=O)N1CC[C@H]([NH+]2CCCC2)C1)[C@@H](N)c1ccccc1 ZINC000563048628 292027741 /nfs/dbraw/zinc/02/77/41/292027741.db2.gz XACIVUDNMJZYBB-IRXDYDNUSA-N 1 3 315.461 2.409 20 0 DEADHO CC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1CCCC1 ZINC000563078974 292029991 /nfs/dbraw/zinc/02/99/91/292029991.db2.gz CAUOJMYRTNWDHI-INIZCTEOSA-N 1 3 312.502 2.090 20 0 DEADHO CC[NH2+][C@H](C)CNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000416836617 285618960 /nfs/dbraw/zinc/61/89/60/285618960.db2.gz GTMSESACQLOABZ-ZIAGYGMSSA-N 1 3 324.494 2.182 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000563715956 292070872 /nfs/dbraw/zinc/07/08/72/292070872.db2.gz MEDZWDUNFHAQPX-SQWLQELKSA-N 1 3 321.440 2.280 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@H]2CCCCCN2)C1 ZINC000563959883 292082041 /nfs/dbraw/zinc/08/20/41/292082041.db2.gz OCGMNOJNSPUQSI-YYIAUSFCSA-N 1 3 307.482 2.382 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@H]2CCCCCN2)C1 ZINC000563959883 292082043 /nfs/dbraw/zinc/08/20/43/292082043.db2.gz OCGMNOJNSPUQSI-YYIAUSFCSA-N 1 3 307.482 2.382 20 0 DEADHO CC(=O)N1C[C@@H]2CCC[C@H](N[C@@H]3C[C@H]([NH3+])c4ccccc43)[C@@H]2C1 ZINC000564823710 292113084 /nfs/dbraw/zinc/11/30/84/292113084.db2.gz YRGQEHPNFIGQTI-BIIJJZAFSA-N 1 3 313.445 2.368 20 0 DEADHO CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](C)NC[C@H]2C)cc1)C1CC1 ZINC000356374141 404482885 /nfs/dbraw/zinc/48/28/85/404482885.db2.gz RPDJJAXKPOGZHI-HUUCEWRRSA-N 1 3 315.461 2.493 20 0 DEADHO CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](C)NC[C@H]2C)cc1)C1CC1 ZINC000356374141 404482892 /nfs/dbraw/zinc/48/28/92/404482892.db2.gz RPDJJAXKPOGZHI-HUUCEWRRSA-N 1 3 315.461 2.493 20 0 DEADHO CC[NH2+]CCCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000564947220 292122924 /nfs/dbraw/zinc/12/29/24/292122924.db2.gz ZRWFFSUOSYRVDM-UHFFFAOYSA-N 1 3 303.450 2.014 20 0 DEADHO C[C@@H]1CCCCN1C(=O)CN1CCC(CCC[NH+](C)C)CC1 ZINC000123617121 144701480 /nfs/dbraw/zinc/70/14/80/144701480.db2.gz FPJWQOWMOUITFI-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO Cc1c[nH+]ccc1N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000192804951 145079664 /nfs/dbraw/zinc/07/96/64/145079664.db2.gz HZDVROWTTIINEP-LJQANCHMSA-N 1 3 311.429 2.463 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246297147 145098038 /nfs/dbraw/zinc/09/80/38/145098038.db2.gz DVNCZGNVLLEONE-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246297147 145098040 /nfs/dbraw/zinc/09/80/40/145098040.db2.gz DVNCZGNVLLEONE-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO Cc1cc(NC(=O)C[C@@H](C)[NH3+])ccc1OCCN1CCCC1 ZINC000261751763 145222837 /nfs/dbraw/zinc/22/28/37/145222837.db2.gz HHUGJSVTZXTAAR-CQSZACIVSA-N 1 3 305.422 2.145 20 0 DEADHO C[C@@H]([NH3+])CC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000261763899 145224259 /nfs/dbraw/zinc/22/42/59/145224259.db2.gz IGBPYXCUQSPHPM-ZIAGYGMSSA-N 1 3 309.479 2.375 20 0 DEADHO C[C@H]([NH3+])CC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000261788466 145226765 /nfs/dbraw/zinc/22/67/65/145226765.db2.gz KCYYEBHKUCGPHG-ZMSDIMECSA-N 1 3 303.450 2.235 20 0 DEADHO Cc1cc(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])c(C)s1 ZINC000261953001 145246153 /nfs/dbraw/zinc/24/61/53/145246153.db2.gz GGJXCQOQGZMJDN-OAHLLOKOSA-N 1 3 309.479 2.184 20 0 DEADHO CC[C@H]1CCCCN1C(=O)[C@H](C)N1CCC(CC[NH2+]C)CC1 ZINC000262008709 145252781 /nfs/dbraw/zinc/25/27/81/145252781.db2.gz SJFFEQGJEJZIJK-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO C[NH2+]CCC1CCN(CC(=O)N(C(C)C)C2CCCC2)CC1 ZINC000262009390 145253072 /nfs/dbraw/zinc/25/30/72/145253072.db2.gz SRLGEIFSOCGISH-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](C(=O)N1CCC(C[NH+](C)C)CC1)[C@@H](N)c1ccccc1 ZINC000262141560 145265314 /nfs/dbraw/zinc/26/53/14/145265314.db2.gz MLEKNTSDNVIWOR-WMLDXEAASA-N 1 3 303.450 2.123 20 0 DEADHO CCN1CCN(c2ccc(NC(=O)[C@@H](C)[C@H](C)[NH3+])c(C)c2)CC1 ZINC000322836188 145379548 /nfs/dbraw/zinc/37/95/48/145379548.db2.gz KDCICEMEHQOWSH-GJZGRUSLSA-N 1 3 318.465 2.059 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@](C)(O)C2CC2)CC1 ZINC000344451695 145866447 /nfs/dbraw/zinc/86/64/47/145866447.db2.gz SBIWRKGFNMRXTL-LJQANCHMSA-N 1 3 317.477 2.079 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCC3(C)C)CC2)CC1 ZINC000565197419 292145144 /nfs/dbraw/zinc/14/51/44/292145144.db2.gz PRCNMDYMASIJDJ-KRWDZBQOSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)N(CC)CC ZINC000346295416 146056042 /nfs/dbraw/zinc/05/60/42/146056042.db2.gz CIEQUASRMXKWND-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO COCCOc1ccccc1CN1CCC(OCCC[NH3+])CC1 ZINC000346652801 146117521 /nfs/dbraw/zinc/11/75/21/146117521.db2.gz IACDUXPAAXYGFB-UHFFFAOYSA-N 1 3 322.449 2.042 20 0 DEADHO CCN1CCN(c2ccccc2CN(C)CC(C)(C)C[NH3+])CC1 ZINC000346694005 146125275 /nfs/dbraw/zinc/12/52/75/146125275.db2.gz RCOICKFXTCDAMP-UHFFFAOYSA-N 1 3 318.509 2.245 20 0 DEADHO COc1ccc(CCN[C@@H]2CCC[C@@H]([NH3+])C2)c(OC)c1OC ZINC000565224999 292148729 /nfs/dbraw/zinc/14/87/29/292148729.db2.gz AWORQCCHSNSOJA-ZIAGYGMSSA-N 1 3 308.422 2.114 20 0 DEADHO COc1ccc(CC[NH2+][C@@H]2CCC[C@@H](N)C2)c(OC)c1OC ZINC000565224999 292148730 /nfs/dbraw/zinc/14/87/30/292148730.db2.gz AWORQCCHSNSOJA-ZIAGYGMSSA-N 1 3 308.422 2.114 20 0 DEADHO CC(C)OC(=O)CC[NH+]1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC000348304393 146252007 /nfs/dbraw/zinc/25/20/07/146252007.db2.gz HJRXZGAZESAYRD-ROUUACIJSA-N 1 3 316.445 2.392 20 0 DEADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccn(C)n1 ZINC000349454659 146380093 /nfs/dbraw/zinc/38/00/93/146380093.db2.gz LONKJIXLAAFOQF-OAGGEKHMSA-N 1 3 308.470 2.350 20 0 DEADHO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000357248631 147072888 /nfs/dbraw/zinc/07/28/88/147072888.db2.gz RJIGLCAGLZGRRK-KSZLIROESA-N 1 3 315.461 2.287 20 0 DEADHO [NH3+]CCCN(Cc1ccccc1)C(=O)c1ccc2c(c1)CNC2 ZINC000358909461 147228452 /nfs/dbraw/zinc/22/84/52/147228452.db2.gz BGXPZXARAPCWHX-UHFFFAOYSA-N 1 3 309.413 2.281 20 0 DEADHO COc1ccc(CNC(=O)NC[C@]2(C)CCC[NH2+]C2)c(C)c1 ZINC000565647339 292175133 /nfs/dbraw/zinc/17/51/33/292175133.db2.gz XMAFAFRCJCZFQG-QGZVFWFLSA-N 1 3 305.422 2.193 20 0 DEADHO COc1ccccc1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000370698006 148046118 /nfs/dbraw/zinc/04/61/18/148046118.db2.gz MLIOIDHOFKUJNO-SJLPKXTDSA-N 1 3 317.477 2.153 20 0 DEADHO COc1ccccc1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000370698006 148046120 /nfs/dbraw/zinc/04/61/20/148046120.db2.gz MLIOIDHOFKUJNO-SJLPKXTDSA-N 1 3 317.477 2.153 20 0 DEADHO CN1CCC[C@H](CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)[C@H]1c1cccs1 ZINC000372105683 148170408 /nfs/dbraw/zinc/17/04/08/148170408.db2.gz OZTBKQVXYJRSBX-KQTLUZQSSA-N 1 3 321.490 2.375 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)C1(N)Cc2ccccc2C1 ZINC000374454381 148249254 /nfs/dbraw/zinc/24/92/54/148249254.db2.gz IEZIZZBWLHFHBP-UHFFFAOYSA-N 1 3 317.477 2.111 20 0 DEADHO CCCN(CC[NH+](C)C)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000111661352 401720367 /nfs/dbraw/zinc/72/03/67/401720367.db2.gz JDVZJIMFQCZEMU-GOSISDBHSA-N 1 3 317.477 2.451 20 0 DEADHO COc1ccc(CCN(C)CC[N@H+](C)C2CCN(C)CC2)cc1 ZINC000126393077 401691961 /nfs/dbraw/zinc/69/19/61/401691961.db2.gz KRZOLWCHPRCCEV-UHFFFAOYSA-N 1 3 319.493 2.196 20 0 DEADHO COc1ccc(CCN(C)CC[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000126393077 401691964 /nfs/dbraw/zinc/69/19/64/401691964.db2.gz KRZOLWCHPRCCEV-UHFFFAOYSA-N 1 3 319.493 2.196 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000126666101 401703447 /nfs/dbraw/zinc/70/34/47/401703447.db2.gz DFLROOJUXHDPIG-FUHWJXTLSA-N 1 3 319.493 2.194 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000126666101 401703450 /nfs/dbraw/zinc/70/34/50/401703450.db2.gz DFLROOJUXHDPIG-FUHWJXTLSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)[NH+]1CCC(C)CC1 ZINC000126875462 401711863 /nfs/dbraw/zinc/71/18/63/401711863.db2.gz XRFUEDQETCDCGX-XHSDSOJGSA-N 1 3 322.497 2.031 20 0 DEADHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000072860050 401713422 /nfs/dbraw/zinc/71/34/22/401713422.db2.gz XBIQAJFCCOQDRJ-KRWDZBQOSA-N 1 3 309.498 2.347 20 0 DEADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000072860050 401713425 /nfs/dbraw/zinc/71/34/25/401713425.db2.gz XBIQAJFCCOQDRJ-KRWDZBQOSA-N 1 3 309.498 2.347 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC1CCN(CC)CC1 ZINC000113580878 401782420 /nfs/dbraw/zinc/78/24/20/401782420.db2.gz OBLCXSCKFVJDQK-MRXNPFEDSA-N 1 3 310.486 2.034 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC1CCN(CC)CC1 ZINC000113580878 401782422 /nfs/dbraw/zinc/78/24/22/401782422.db2.gz OBLCXSCKFVJDQK-MRXNPFEDSA-N 1 3 310.486 2.034 20 0 DEADHO CN1CCC[C@@H]1CC[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000128729600 401789272 /nfs/dbraw/zinc/78/92/72/401789272.db2.gz ACNSMXUTZDVBHQ-QGZVFWFLSA-N 1 3 307.482 2.195 20 0 DEADHO O=C(CC1CC[NH2+]CC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000132823227 401874197 /nfs/dbraw/zinc/87/41/97/401874197.db2.gz JKZFGUUEVCXOEH-SFHVURJKSA-N 1 3 315.461 2.157 20 0 DEADHO Cn1c2cccc(F)c2nc1CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000089673844 401956935 /nfs/dbraw/zinc/95/69/35/401956935.db2.gz MCZFJMJGQJYFRI-ZIAGYGMSSA-N 1 3 316.424 2.471 20 0 DEADHO Cn1c2cccc(F)c2nc1CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000089673844 401956936 /nfs/dbraw/zinc/95/69/36/401956936.db2.gz MCZFJMJGQJYFRI-ZIAGYGMSSA-N 1 3 316.424 2.471 20 0 DEADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cnc(C)nc2C)CC1 ZINC000121205040 402020521 /nfs/dbraw/zinc/02/05/21/402020521.db2.gz SVKFQOPRGVHKIY-GJZGRUSLSA-N 1 3 319.497 2.018 20 0 DEADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cnc(C)nc2C)CC1 ZINC000121205223 402020620 /nfs/dbraw/zinc/02/06/20/402020620.db2.gz SVKFQOPRGVHKIY-CABCVRRESA-N 1 3 319.497 2.018 20 0 DEADHO CC(C)COC[C@@H](O)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000151407887 402034245 /nfs/dbraw/zinc/03/42/45/402034245.db2.gz RQRUWNGGVOJGLL-SFHVURJKSA-N 1 3 312.498 2.407 20 0 DEADHO CCC[C@H]1CCCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000120904674 402006707 /nfs/dbraw/zinc/00/67/07/402006707.db2.gz OEAQSADQTBAIHK-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000566193209 292216734 /nfs/dbraw/zinc/21/67/34/292216734.db2.gz VSUBAJYFNRGMIB-HOTGVXAUSA-N 1 3 312.502 2.410 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000063680483 402114043 /nfs/dbraw/zinc/11/40/43/402114043.db2.gz SETCSFCLEGBPGD-GOSISDBHSA-N 1 3 315.461 2.497 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000063680483 402114046 /nfs/dbraw/zinc/11/40/46/402114046.db2.gz SETCSFCLEGBPGD-GOSISDBHSA-N 1 3 315.461 2.497 20 0 DEADHO C[NH+](C)C(C)(C)CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000063914341 402117133 /nfs/dbraw/zinc/11/71/33/402117133.db2.gz XWQMGPUBDPCDLX-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO Cc1cc2ncc([C@@H](C)[NH2+]C[C@H]3CCN(C4CC4)C3)c(C)n2n1 ZINC000124363252 402176318 /nfs/dbraw/zinc/17/63/18/402176318.db2.gz DJYDGAWHFVZXTJ-UKRRQHHQSA-N 1 3 313.449 2.481 20 0 DEADHO CC1CCN(CCNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000106530325 402214070 /nfs/dbraw/zinc/21/40/70/402214070.db2.gz BIIVYTWBWQPPTI-INIZCTEOSA-N 1 3 322.497 2.034 20 0 DEADHO CC1CCN(CCNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000106530325 402214072 /nfs/dbraw/zinc/21/40/72/402214072.db2.gz BIIVYTWBWQPPTI-INIZCTEOSA-N 1 3 322.497 2.034 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)NC[C@H]2CCCN(C)C2)CC1 ZINC000108554192 402257376 /nfs/dbraw/zinc/25/73/76/402257376.db2.gz XQTXEHCAESBVJT-QGZVFWFLSA-N 1 3 324.513 2.140 20 0 DEADHO C[C@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)N(C)C1CC1 ZINC000105134596 402207026 /nfs/dbraw/zinc/20/70/26/402207026.db2.gz HCELSGUSAYJJBC-HZPDHXFCSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@H](CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)N(C)C1CC1 ZINC000105134596 402207029 /nfs/dbraw/zinc/20/70/29/402207029.db2.gz HCELSGUSAYJJBC-HZPDHXFCSA-N 1 3 324.513 2.423 20 0 DEADHO COc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)CN1CCC(C)CC1)CC2 ZINC000158897110 402313761 /nfs/dbraw/zinc/31/37/61/402313761.db2.gz AEMGFCQLZRHITG-QFBILLFUSA-N 1 3 318.461 2.365 20 0 DEADHO CC(C)N1CCC([NH2+][C@@H](C)C(=O)NCCc2ccccc2)CC1 ZINC000159293347 402320945 /nfs/dbraw/zinc/32/09/45/402320945.db2.gz DYSKNHJKZLPXCQ-INIZCTEOSA-N 1 3 317.477 2.196 20 0 DEADHO CC(C)C[C@H](N)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000236655553 402371679 /nfs/dbraw/zinc/37/16/79/402371679.db2.gz LWAFEFHYTGDFSC-ULQDDVLXSA-N 1 3 309.498 2.473 20 0 DEADHO CC(C)C[C@H](N)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000236655553 402371680 /nfs/dbraw/zinc/37/16/80/402371680.db2.gz LWAFEFHYTGDFSC-ULQDDVLXSA-N 1 3 309.498 2.473 20 0 DEADHO CC(C)[C@H](N)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000236741288 402379607 /nfs/dbraw/zinc/37/96/07/402379607.db2.gz FKFXCIVUVRQJAU-HNNXBMFYSA-N 1 3 309.479 2.060 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)C2(C[NH3+])CCCC2)CN1Cc1ccccc1 ZINC000237566100 402413505 /nfs/dbraw/zinc/41/35/05/402413505.db2.gz MASAAGOKWUHIIA-NVXWUHKLSA-N 1 3 315.461 2.285 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)C2([NH3+])CCCC2)CN1Cc1ccccc1 ZINC000237566345 402413555 /nfs/dbraw/zinc/41/35/55/402413555.db2.gz SUFPNXRBVRHQKH-GDBMZVCRSA-N 1 3 301.434 2.037 20 0 DEADHO CC(C)[C@H](O)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000177583638 402418096 /nfs/dbraw/zinc/41/80/96/402418096.db2.gz WELPPHQABBANJT-LJQANCHMSA-N 1 3 319.493 2.324 20 0 DEADHO CC(C)[C@H](O)CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000177583638 402418097 /nfs/dbraw/zinc/41/80/97/402418097.db2.gz WELPPHQABBANJT-LJQANCHMSA-N 1 3 319.493 2.324 20 0 DEADHO O=C(CCC1CC[NH2+]CC1)N1CCC[C@@H]1CN1CCCCC1 ZINC000237944421 402427449 /nfs/dbraw/zinc/42/74/49/402427449.db2.gz HXZRLGCMMDGCAR-QGZVFWFLSA-N 1 3 307.482 2.243 20 0 DEADHO [NH3+][C@H]1CCC[C@H](C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000238038903 402433958 /nfs/dbraw/zinc/43/39/58/402433958.db2.gz SPCQNIMZRICZAQ-IRXDYDNUSA-N 1 3 315.461 2.285 20 0 DEADHO C[C@@H]([NH3+])[C@H]1CCN(CCOc2ccc(Br)cc2)C1 ZINC000163239719 402445295 /nfs/dbraw/zinc/44/52/95/402445295.db2.gz FXBUGGOCSJMRRT-NEPJUHHUSA-N 1 3 313.239 2.497 20 0 DEADHO O=C(C[C@@H]1CCC[NH2+]1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000166207034 402482396 /nfs/dbraw/zinc/48/23/96/402482396.db2.gz PXAGZKLTDPLNOD-CABCVRRESA-N 1 3 321.490 2.218 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000166322074 402483725 /nfs/dbraw/zinc/48/37/25/402483725.db2.gz VFOVVQWUYQGWPF-ZWKOTPCHSA-N 1 3 315.461 2.248 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CCCC[NH2+]2)N2CCCC2)cc1 ZINC000166327009 402483927 /nfs/dbraw/zinc/48/39/27/402483927.db2.gz QOXRAIKQVWJWBG-ROUUACIJSA-N 1 3 315.461 2.390 20 0 DEADHO COCC[C@@](C)(O)CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000178375084 402491275 /nfs/dbraw/zinc/49/12/75/402491275.db2.gz VRRITLXJJNGJPL-KBAYOESNSA-N 1 3 312.498 2.407 20 0 DEADHO COCC[C@@](C)(O)C[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000178375084 402491279 /nfs/dbraw/zinc/49/12/79/402491279.db2.gz VRRITLXJJNGJPL-KBAYOESNSA-N 1 3 312.498 2.407 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)C2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000167539704 402491868 /nfs/dbraw/zinc/49/18/68/402491868.db2.gz RRGYTSDVQDKZDI-YJBOKZPZSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000178414641 402495976 /nfs/dbraw/zinc/49/59/76/402495976.db2.gz LXQHPWOEHXFFEG-MJGOQNOKSA-N 1 3 316.493 2.368 20 0 DEADHO COC[C@H]([NH2+]Cc1ccc(CN(C)C)cc1)C1CCOCC1 ZINC000187706199 402509294 /nfs/dbraw/zinc/50/92/94/402509294.db2.gz GLCUVLOIODWWOF-SFHVURJKSA-N 1 3 306.450 2.279 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)N1CCC[C@@H](C)C1 ZINC000247193308 402559211 /nfs/dbraw/zinc/55/92/11/402559211.db2.gz WRBNOMNFOWNAQJ-NCOADZHNSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000247481405 402568971 /nfs/dbraw/zinc/56/89/71/402568971.db2.gz UNKJPJLTJQULNJ-YVSFHVDLSA-N 1 3 307.482 2.192 20 0 DEADHO C[C@@H](C(=O)NC1CC[NH+](CC2CC2)CC1)N1[C@H](C)CC[C@H]1C ZINC000171262491 402572049 /nfs/dbraw/zinc/57/20/49/402572049.db2.gz UMNFRLJOHGBVHD-KFWWJZLASA-N 1 3 307.482 2.238 20 0 DEADHO CC[C@H](C)[C@@H](N)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000178689212 402527018 /nfs/dbraw/zinc/52/70/18/402527018.db2.gz OMZJOJVPCFOLOK-MAUKXSAKSA-N 1 3 317.477 2.183 20 0 DEADHO CC(C)([NH3+])CC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000178726780 402531598 /nfs/dbraw/zinc/53/15/98/402531598.db2.gz RNNPFHWGOCXTSS-MRXNPFEDSA-N 1 3 303.450 2.285 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)CC(C)(C)[NH3+])CC1 ZINC000178769210 402537254 /nfs/dbraw/zinc/53/72/54/402537254.db2.gz AZKMFAVLYJIVIL-CQSZACIVSA-N 1 3 303.450 2.456 20 0 DEADHO CCO[C@@H]1C[C@H]([NH2+]C2CCN(CCN(C)C)CC2)C12CCCC2 ZINC000181467921 402646518 /nfs/dbraw/zinc/64/65/18/402646518.db2.gz LEMGWHPPZZJZEW-ZWKOTPCHSA-N 1 3 323.525 2.340 20 0 DEADHO C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000192105562 402711176 /nfs/dbraw/zinc/71/11/76/402711176.db2.gz BIZVOETUDDIZDB-KBPBESRZSA-N 1 3 321.490 2.200 20 0 DEADHO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000192103200 402711275 /nfs/dbraw/zinc/71/12/75/402711275.db2.gz LIPFRDVJLLNOIU-IHRRRGAJSA-N 1 3 309.479 2.060 20 0 DEADHO C[C@@H]([NH3+])[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000192110053 402712077 /nfs/dbraw/zinc/71/20/77/402712077.db2.gz HQUAZIAIMHGEJL-DLTWYDFYSA-N 1 3 303.450 2.139 20 0 DEADHO CC[NH+](CC)CCCC1CCN([C@@H]2CCCCNC2=O)CC1 ZINC000182745752 402713337 /nfs/dbraw/zinc/71/33/37/402713337.db2.gz CWRBWQDTVBYWBK-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)c2oc3ccccc3c2CN(C)C)CC[NH2+]1 ZINC000262991262 402740215 /nfs/dbraw/zinc/74/02/15/402740215.db2.gz ZXIPIDYCVYHDEY-STQMWFEESA-N 1 3 315.417 2.365 20 0 DEADHO CN(C)CCN(Cc1ccco1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000192702522 402744913 /nfs/dbraw/zinc/74/49/13/402744913.db2.gz QUTCCFZMATVMIZ-UHFFFAOYSA-N 1 3 319.449 2.044 20 0 DEADHO CN(CCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)Cc1ccccc1 ZINC000263238567 402748991 /nfs/dbraw/zinc/74/89/91/402748991.db2.gz FLUKPNRHGJANJT-SQNIBIBYSA-N 1 3 315.461 2.155 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000193091462 402764296 /nfs/dbraw/zinc/76/42/96/402764296.db2.gz BSDLLIZUJSONNJ-IAGOWNOFSA-N 1 3 303.450 2.185 20 0 DEADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262373466 402724888 /nfs/dbraw/zinc/72/48/88/402724888.db2.gz MAQPVPZTPVGMMS-NBOOPKSLSA-N 1 3 307.482 2.003 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)N2CCCCCC2)C1 ZINC000175306409 402795988 /nfs/dbraw/zinc/79/59/88/402795988.db2.gz KMVXOBPXQLDBBN-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)N2CCCCCC2)C1 ZINC000175306409 402795989 /nfs/dbraw/zinc/79/59/89/402795989.db2.gz KMVXOBPXQLDBBN-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@H](CNC(=O)NCCC[NH+]1CCCCC1)N1CCC(C)CC1 ZINC000194477129 402799704 /nfs/dbraw/zinc/79/97/04/402799704.db2.gz URTABAFIURSQEQ-KRWDZBQOSA-N 1 3 324.513 2.282 20 0 DEADHO CC[C@H](C(N)=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000264034487 402832736 /nfs/dbraw/zinc/83/27/36/402832736.db2.gz BMIXOVLQURICLX-QGZVFWFLSA-N 1 3 303.450 2.094 20 0 DEADHO CC[C@H](C(N)=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000264034487 402832739 /nfs/dbraw/zinc/83/27/39/402832739.db2.gz BMIXOVLQURICLX-QGZVFWFLSA-N 1 3 303.450 2.094 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175788354 402832928 /nfs/dbraw/zinc/83/29/28/402832928.db2.gz PKWUCJVRNQMKDP-OAGGEKHMSA-N 1 3 310.486 2.033 20 0 DEADHO COc1ccc(C[NH2+]CC2(O)CCN(C)CC2)c2ccccc12 ZINC000265894858 402960075 /nfs/dbraw/zinc/96/00/75/402960075.db2.gz SQIYAJDOUJWNLU-UHFFFAOYSA-N 1 3 314.429 2.395 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272230554 402912436 /nfs/dbraw/zinc/91/24/36/402912436.db2.gz DUNRLONXRGLVCA-WMZOPIPTSA-N 1 3 317.477 2.355 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272230554 402912438 /nfs/dbraw/zinc/91/24/38/402912438.db2.gz DUNRLONXRGLVCA-WMZOPIPTSA-N 1 3 317.477 2.355 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000272314105 402922493 /nfs/dbraw/zinc/92/24/93/402922493.db2.gz SGHASCZIEBSLIM-CGTJXYLNSA-N 1 3 317.477 2.353 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000272314105 402922496 /nfs/dbraw/zinc/92/24/96/402922496.db2.gz SGHASCZIEBSLIM-CGTJXYLNSA-N 1 3 317.477 2.353 20 0 DEADHO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CC1(C)CCN(C)CC1 ZINC000273406002 403001719 /nfs/dbraw/zinc/00/17/19/403001719.db2.gz HDSZGQYVRJTSPY-HNNXBMFYSA-N 1 3 324.490 2.170 20 0 DEADHO C[C@H](CCNC(=O)/C=C/CN(C)C)[N@H+](C)Cc1ccccc1 ZINC000266947559 403002065 /nfs/dbraw/zinc/00/20/65/403002065.db2.gz QZNFVVYOBKZKSJ-YCABEKBOSA-N 1 3 303.450 2.131 20 0 DEADHO C[C@H](CCNC(=O)/C=C/CN(C)C)[N@@H+](C)Cc1ccccc1 ZINC000266947559 403002067 /nfs/dbraw/zinc/00/20/67/403002067.db2.gz QZNFVVYOBKZKSJ-YCABEKBOSA-N 1 3 303.450 2.131 20 0 DEADHO C[C@@H](CC(N)=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000267266725 403030772 /nfs/dbraw/zinc/03/07/72/403030772.db2.gz RKQPBBXDZOHRRB-HNNXBMFYSA-N 1 3 303.450 2.272 20 0 DEADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000273159778 402978347 /nfs/dbraw/zinc/97/83/47/402978347.db2.gz BAZSBGOWSNMOEL-AWEZNQCLSA-N 1 3 309.454 2.337 20 0 DEADHO CN(c1ccccc1C[NH2+]CCC(C)(C)O)C1CCN(C)CC1 ZINC000274789519 403087982 /nfs/dbraw/zinc/08/79/82/403087982.db2.gz XRMCOLQUDFYSNK-UHFFFAOYSA-N 1 3 319.493 2.468 20 0 DEADHO C[C@@H]1C[C@@H](NCCNC(=O)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000268699949 403107531 /nfs/dbraw/zinc/10/75/31/403107531.db2.gz AWHSRFFKYPXDLA-QAPCUYQASA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H]1C[C@@H](NCCNC(=O)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000268699949 403107532 /nfs/dbraw/zinc/10/75/32/403107532.db2.gz AWHSRFFKYPXDLA-QAPCUYQASA-N 1 3 315.461 2.155 20 0 DEADHO Cc1cccc(OC[C@H](O)CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000268802273 403115204 /nfs/dbraw/zinc/11/52/04/403115204.db2.gz BLIYLCBDDWHENU-KYHPRHEASA-N 1 3 306.450 2.053 20 0 DEADHO Cc1cccc(OC[C@H](O)CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000268802273 403115206 /nfs/dbraw/zinc/11/52/06/403115206.db2.gz BLIYLCBDDWHENU-KYHPRHEASA-N 1 3 306.450 2.053 20 0 DEADHO CC[N@@H+]1CC[C@H](NCCNC(=O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000268806839 403116190 /nfs/dbraw/zinc/11/61/90/403116190.db2.gz HUEVGKYMWFSUKQ-CJNGLKHVSA-N 1 3 323.868 2.390 20 0 DEADHO CC[N@H+]1CC[C@H](NCCNC(=O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000268806839 403116192 /nfs/dbraw/zinc/11/61/92/403116192.db2.gz HUEVGKYMWFSUKQ-CJNGLKHVSA-N 1 3 323.868 2.390 20 0 DEADHO C[C@H](CC(=O)Nc1cccnc1Cl)N[C@@H](C)CC[NH+](C)C ZINC000269002696 403122610 /nfs/dbraw/zinc/12/26/10/403122610.db2.gz LYUKTOAUCMVHJT-NWDGAFQWSA-N 1 3 312.845 2.382 20 0 DEADHO COc1ccc(C[C@H](C)CN[C@@H]2C[NH2+]CC[C@@H]2C)cc1OC ZINC000423027936 286315095 /nfs/dbraw/zinc/31/50/95/286315095.db2.gz RYPXZXCXLGWYBR-OFQRWUPVSA-N 1 3 306.450 2.470 20 0 DEADHO CC(C)[C@@](C)(C[NH3+])NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000269258603 403125396 /nfs/dbraw/zinc/12/53/96/403125396.db2.gz IJJQRXSJNOKNCK-LJQANCHMSA-N 1 3 317.477 2.388 20 0 DEADHO COc1cccc(C[C@H]([NH2+]CC2(O)CCN(C)CC2)C2CC2)c1 ZINC000269901082 403174449 /nfs/dbraw/zinc/17/44/49/403174449.db2.gz GQDYWUFMCSGCFI-SFHVURJKSA-N 1 3 318.461 2.063 20 0 DEADHO CCN(CCC[NH+](C)C)C(=O)NCCN(C)Cc1ccccc1 ZINC000276151940 403149511 /nfs/dbraw/zinc/14/95/11/403149511.db2.gz QVZDQPCAHZWMDZ-UHFFFAOYSA-N 1 3 320.481 2.102 20 0 DEADHO Cc1c([C@@H](C)[NH2+]CC2(O)CCN(C)CC2)cnn1C(C)(C)C ZINC000345329899 403288873 /nfs/dbraw/zinc/28/88/73/403288873.db2.gz QQIXBUJFFCVZBN-CYBMUJFWSA-N 1 3 308.470 2.054 20 0 DEADHO CCC1CC([NH2+]CCCN2CCN(c3ccncc3)CC2)C1 ZINC000342697763 403312705 /nfs/dbraw/zinc/31/27/05/403312705.db2.gz GBSHIQRZNOWZQB-UHFFFAOYSA-N 1 3 302.466 2.372 20 0 DEADHO C[N@@H+]1CCC[C@@]2(CCN(C[C@@H](O)CCc3ccccc3)C2)C1 ZINC000293117436 403392384 /nfs/dbraw/zinc/39/23/84/403392384.db2.gz YYFCRQSRCNIBKM-RBUKOAKNSA-N 1 3 302.462 2.398 20 0 DEADHO C[N@H+]1CCC[C@@]2(CCN(C[C@@H](O)CCc3ccccc3)C2)C1 ZINC000293117436 403392388 /nfs/dbraw/zinc/39/23/88/403392388.db2.gz YYFCRQSRCNIBKM-RBUKOAKNSA-N 1 3 302.462 2.398 20 0 DEADHO Cn1cc2c(n1)CCC[C@@H]2[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000331542954 403412460 /nfs/dbraw/zinc/41/24/60/403412460.db2.gz IFYQBSHNCAIQFB-HIFRSBDPSA-N 1 3 319.453 2.024 20 0 DEADHO CN(C)CCN(Cc1ccccc1F)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000285941587 403415544 /nfs/dbraw/zinc/41/55/44/403415544.db2.gz FXVIAGWNQOUPAC-HNNXBMFYSA-N 1 3 321.440 2.106 20 0 DEADHO CN(C)C[C@@H](NC(=O)CC[NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000566866278 292273734 /nfs/dbraw/zinc/27/37/34/292273734.db2.gz JBWMLLSWSFKION-OAHLLOKOSA-N 1 3 309.841 2.201 20 0 DEADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H](N)CC(F)F)c1ccccc1 ZINC000345704626 403445796 /nfs/dbraw/zinc/44/57/96/403445796.db2.gz FESQJFPITBUMPO-YPMHNXCESA-N 1 3 313.392 2.215 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CCCN1C ZINC000345777998 403481079 /nfs/dbraw/zinc/48/10/79/403481079.db2.gz KSXNCKNETLEGPT-IKGGRYGDSA-N 1 3 322.497 2.129 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000332568205 403591690 /nfs/dbraw/zinc/59/16/90/403591690.db2.gz XZNCLRHNNSDHOY-WBVHZDCISA-N 1 3 322.497 2.164 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+][C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000343448466 403594782 /nfs/dbraw/zinc/59/47/82/403594782.db2.gz OKWQWILNLWRKKX-KSSFIOAISA-N 1 3 320.456 2.287 20 0 DEADHO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000293782701 403563018 /nfs/dbraw/zinc/56/30/18/403563018.db2.gz TZLTUYOVNDEJQH-UONOGXRCSA-N 1 3 307.438 2.200 20 0 DEADHO COc1ccccc1NC(=O)C[C@@H](C)NC[C@H](C)C[NH+](C)C ZINC000293782701 403563020 /nfs/dbraw/zinc/56/30/20/403563020.db2.gz TZLTUYOVNDEJQH-UONOGXRCSA-N 1 3 307.438 2.200 20 0 DEADHO [NH3+][C@H](CC(=O)Nc1ccc2c(c1)CNCC2)Cc1ccccc1 ZINC000567030788 292284135 /nfs/dbraw/zinc/28/41/35/292284135.db2.gz DFUMBYATRHIHQM-KRWDZBQOSA-N 1 3 309.413 2.231 20 0 DEADHO Cc1nn(C(C)C)cc1CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333193655 403690702 /nfs/dbraw/zinc/69/07/02/403690702.db2.gz VRKHAQCAHQTNBJ-QZTJIDSGSA-N 1 3 320.481 2.491 20 0 DEADHO C[C@H]1CCC[C@](CNC(=O)NCC2=CCN(C)CC2)([NH+](C)C)C1 ZINC000343731791 403710738 /nfs/dbraw/zinc/71/07/38/403710738.db2.gz SBLOQRJKSXRTAG-YJBOKZPZSA-N 1 3 322.497 2.058 20 0 DEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000333250373 403706991 /nfs/dbraw/zinc/70/69/91/403706991.db2.gz GQHLTHJPSZGJHN-IRXDYDNUSA-N 1 3 309.498 2.129 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CCCN1C ZINC000343860563 403764017 /nfs/dbraw/zinc/76/40/17/403764017.db2.gz FXTGQYNPKKAZNB-BBWFWOEESA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CCCN1C ZINC000343860563 403764024 /nfs/dbraw/zinc/76/40/24/403764024.db2.gz FXTGQYNPKKAZNB-BBWFWOEESA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CCCN1C ZINC000343763210 403722422 /nfs/dbraw/zinc/72/24/22/403722422.db2.gz HZWNGSPKPZQXCT-DJIMGWMZSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc2c(c1)CNC2 ZINC000347505554 403733704 /nfs/dbraw/zinc/73/37/04/403733704.db2.gz QVBYDSZONJSQTR-UONOGXRCSA-N 1 3 301.434 2.140 20 0 DEADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc2c(c1)CNC2 ZINC000347505554 403733708 /nfs/dbraw/zinc/73/37/08/403733708.db2.gz QVBYDSZONJSQTR-UONOGXRCSA-N 1 3 301.434 2.140 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000341045793 403748996 /nfs/dbraw/zinc/74/89/96/403748996.db2.gz IEEXVPLHNOKJKG-HOCLYGCPSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000341047822 403750812 /nfs/dbraw/zinc/75/08/12/403750812.db2.gz FUNLNKPULSTYRZ-BZUAXINKSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000341047822 403750813 /nfs/dbraw/zinc/75/08/13/403750813.db2.gz FUNLNKPULSTYRZ-BZUAXINKSA-N 1 3 324.513 2.279 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)CN2CCC(C[NH+](C)C)CC2)c1 ZINC000341181865 403809778 /nfs/dbraw/zinc/80/97/78/403809778.db2.gz FYPSLIBTVSUYMQ-GOSISDBHSA-N 1 3 320.477 2.317 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)CCN1C ZINC000341209950 403836408 /nfs/dbraw/zinc/83/64/08/403836408.db2.gz VMFOIFDBWBNXCZ-HOTGVXAUSA-N 1 3 322.497 2.129 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CCN1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000351645246 403826516 /nfs/dbraw/zinc/82/65/16/403826516.db2.gz MIYTYKDDOVUTKK-DLBZAZTESA-N 1 3 307.482 2.099 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CCN1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000351645246 403826521 /nfs/dbraw/zinc/82/65/21/403826521.db2.gz MIYTYKDDOVUTKK-DLBZAZTESA-N 1 3 307.482 2.099 20 0 DEADHO Cc1nc(C)c(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)s1 ZINC000343989166 403829339 /nfs/dbraw/zinc/82/93/39/403829339.db2.gz SWNLKWXHJHUZIV-CZUORRHYSA-N 1 3 322.522 2.218 20 0 DEADHO Cc1nc(C)c(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)s1 ZINC000343989166 403829342 /nfs/dbraw/zinc/82/93/42/403829342.db2.gz SWNLKWXHJHUZIV-CZUORRHYSA-N 1 3 322.522 2.218 20 0 DEADHO COc1cc([C@@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)ccn1 ZINC000347633436 403783626 /nfs/dbraw/zinc/78/36/26/403783626.db2.gz DCOKYEJVDVMXJO-MRXNPFEDSA-N 1 3 320.481 2.157 20 0 DEADHO C(N[C@H]1CCCC12CCCC2)c1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333641429 403801012 /nfs/dbraw/zinc/80/10/12/403801012.db2.gz XJQGYPUMLMZFBX-AWEZNQCLSA-N 1 3 303.454 2.474 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CCN(C3CC3)CC2)C[C@H]1C ZINC000361763816 403850090 /nfs/dbraw/zinc/85/00/90/403850090.db2.gz GPDFYJCBSYPIGR-PBHICJAKSA-N 1 3 322.497 2.127 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC2CCN(C3CC3)CC2)C[C@H]1C ZINC000361763816 403850092 /nfs/dbraw/zinc/85/00/92/403850092.db2.gz GPDFYJCBSYPIGR-PBHICJAKSA-N 1 3 322.497 2.127 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN[C@@H](c2cccs2)C2CC2)CC1 ZINC000411454199 403862317 /nfs/dbraw/zinc/86/23/17/403862317.db2.gz HZOXUZGDSAJDRL-QGZVFWFLSA-N 1 3 321.490 2.389 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H](C)[NH2+]C2CC2)N2CCCC2)cc1 ZINC000295336953 403864351 /nfs/dbraw/zinc/86/43/51/403864351.db2.gz ZXDPCVHFKYFSHH-QAPCUYQASA-N 1 3 315.461 2.389 20 0 DEADHO Cc1ccncc1CCCNC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000347788610 403870346 /nfs/dbraw/zinc/87/03/46/403870346.db2.gz DEFYYOGCHGFJQE-GOSISDBHSA-N 1 3 305.466 2.005 20 0 DEADHO CC(C)[C@H](C(=O)NC1CC[NH+](CC2CC2)CC1)N1CCCCC1 ZINC000354570544 403881143 /nfs/dbraw/zinc/88/11/43/403881143.db2.gz FESUOVJRAVVVQJ-GOSISDBHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)(CC(N)=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000411522582 403881449 /nfs/dbraw/zinc/88/14/49/403881449.db2.gz FHSMRNRDNHLICY-UHFFFAOYSA-N 1 3 303.450 2.416 20 0 DEADHO O=C(NCCN1CCC2(CCCCC2)CC1)N[C@@H]1CCC[NH2+]C1 ZINC000333851431 403884711 /nfs/dbraw/zinc/88/47/11/403884711.db2.gz XIPVEGUWZQIRHQ-MRXNPFEDSA-N 1 3 322.497 2.084 20 0 DEADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC000333871994 403893976 /nfs/dbraw/zinc/89/39/76/403893976.db2.gz USUOOQQHCNWOGO-ULQDDVLXSA-N 1 3 322.497 2.021 20 0 DEADHO CSC1(CN2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC000347843282 403906844 /nfs/dbraw/zinc/90/68/44/403906844.db2.gz GLJRZWNGQJNHSJ-HOTGVXAUSA-N 1 3 311.539 2.372 20 0 DEADHO C[C@@H](O)CN(Cc1cccc(C[NH+]2CCCCC2)c1)[C@@H](C)CO ZINC000411610408 403909374 /nfs/dbraw/zinc/90/93/74/403909374.db2.gz GTUVNFMIOSQSDY-DLBZAZTESA-N 1 3 320.477 2.236 20 0 DEADHO C[NH2+]CCc1ccccc1C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000336859182 403930300 /nfs/dbraw/zinc/93/03/00/403930300.db2.gz FPYZBWIWILARAI-INIZCTEOSA-N 1 3 305.466 2.155 20 0 DEADHO CCC[N@H+](CCSC(C)C)CCN1CCN(CC)CC1 ZINC000344136724 403933403 /nfs/dbraw/zinc/93/34/03/403933403.db2.gz UUNIBRQNJAOFJL-UHFFFAOYSA-N 1 3 301.544 2.478 20 0 DEADHO CCC[N@@H+](CCSC(C)C)CCN1CCN(CC)CC1 ZINC000344136724 403933411 /nfs/dbraw/zinc/93/34/11/403933411.db2.gz UUNIBRQNJAOFJL-UHFFFAOYSA-N 1 3 301.544 2.478 20 0 DEADHO CCC[N@H+](CCN1CCN(CC)CC1)Cc1cnccc1C ZINC000344135626 403934009 /nfs/dbraw/zinc/93/40/09/403934009.db2.gz SBYVPNNZTCQPEL-UHFFFAOYSA-N 1 3 304.482 2.240 20 0 DEADHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1cnccc1C ZINC000344135626 403934014 /nfs/dbraw/zinc/93/40/14/403934014.db2.gz SBYVPNNZTCQPEL-UHFFFAOYSA-N 1 3 304.482 2.240 20 0 DEADHO Cc1ccc(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)c(OCCN(C)C)c1 ZINC000362819661 403990751 /nfs/dbraw/zinc/99/07/51/403990751.db2.gz GDUXRKIHSLOPOG-CABCVRRESA-N 1 3 319.449 2.072 20 0 DEADHO Cc1ccc(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)c(OCCN(C)C)c1 ZINC000362819661 403990758 /nfs/dbraw/zinc/99/07/58/403990758.db2.gz GDUXRKIHSLOPOG-CABCVRRESA-N 1 3 319.449 2.072 20 0 DEADHO CC[NH+]1CCN(c2ccccc2CN2CC3(C2)CCOC3)CC1 ZINC000354761075 403992798 /nfs/dbraw/zinc/99/27/98/403992798.db2.gz KXIAKDPNFXJOSS-UHFFFAOYSA-N 1 3 315.461 2.051 20 0 DEADHO O[C@@H](C[NH2+]Cc1cc2ccc(F)cc2[nH]1)CN1CCCCC1 ZINC000362917953 404003212 /nfs/dbraw/zinc/00/32/12/404003212.db2.gz MCDAADSXHUMUOM-INIZCTEOSA-N 1 3 305.397 2.243 20 0 DEADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000362596957 403973276 /nfs/dbraw/zinc/97/32/76/403973276.db2.gz SEMHYBDANAVNQA-NVXWUHKLSA-N 1 3 309.498 2.155 20 0 DEADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000362596957 403973284 /nfs/dbraw/zinc/97/32/84/403973284.db2.gz SEMHYBDANAVNQA-NVXWUHKLSA-N 1 3 309.498 2.155 20 0 DEADHO CCN1CCN(CCCC[NH2+][C@@H]2CCC[C@H]2CCOC)CC1 ZINC000337518828 404074054 /nfs/dbraw/zinc/07/40/54/404074054.db2.gz NTUMLUTYARYZLY-ZWKOTPCHSA-N 1 3 311.514 2.199 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000354874874 404071348 /nfs/dbraw/zinc/07/13/48/404071348.db2.gz JAOYEGOIORQIAQ-BBWFWOEESA-N 1 3 322.497 2.177 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000354874874 404071357 /nfs/dbraw/zinc/07/13/57/404071357.db2.gz JAOYEGOIORQIAQ-BBWFWOEESA-N 1 3 322.497 2.177 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000354874881 404071489 /nfs/dbraw/zinc/07/14/89/404071489.db2.gz JAOYEGOIORQIAQ-GVDBMIGSSA-N 1 3 322.497 2.177 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000354874881 404071497 /nfs/dbraw/zinc/07/14/97/404071497.db2.gz JAOYEGOIORQIAQ-GVDBMIGSSA-N 1 3 322.497 2.177 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000341618683 404071583 /nfs/dbraw/zinc/07/15/83/404071583.db2.gz TUXPCLRSZTYMHO-BFYDXBDKSA-N 1 3 322.497 2.033 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000341618683 404071588 /nfs/dbraw/zinc/07/15/88/404071588.db2.gz TUXPCLRSZTYMHO-BFYDXBDKSA-N 1 3 322.497 2.033 20 0 DEADHO C[N@H+](C[C@H](O)CN[C@@H]1CCC[C@H]1OCc1ccccc1)C1CC1 ZINC000352094404 404139374 /nfs/dbraw/zinc/13/93/74/404139374.db2.gz ZVBHXKMMVXLGJQ-GUDVDZBRSA-N 1 3 318.461 2.169 20 0 DEADHO C[N@@H+](C[C@H](O)CN[C@@H]1CCC[C@H]1OCc1ccccc1)C1CC1 ZINC000352094404 404139378 /nfs/dbraw/zinc/13/93/78/404139378.db2.gz ZVBHXKMMVXLGJQ-GUDVDZBRSA-N 1 3 318.461 2.169 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCN(C)CC[C@@H]2C)C1 ZINC000355472417 404340619 /nfs/dbraw/zinc/34/06/19/404340619.db2.gz DUMQHCQXLLOAMG-ZACQAIPSSA-N 1 3 324.513 2.090 20 0 DEADHO C[NH+](C)CC1CCN(Cc2ccc(N3CCCC3)nc2)CC1 ZINC000350177724 404341488 /nfs/dbraw/zinc/34/14/88/404341488.db2.gz TXKHNAWEJZLYMX-UHFFFAOYSA-N 1 3 302.466 2.455 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCc3nc(-c4ccccc4)no3)C[C@@H]21 ZINC000342079057 404354161 /nfs/dbraw/zinc/35/41/61/404354161.db2.gz DFGQILSJGQXAAC-OWCLPIDISA-N 1 3 312.417 2.338 20 0 DEADHO CCCN(CCN(C)C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000344836869 404396645 /nfs/dbraw/zinc/39/66/45/404396645.db2.gz VZYRSMFLDYCGOR-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(CCN(C)C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000344836869 404396648 /nfs/dbraw/zinc/39/66/48/404396648.db2.gz VZYRSMFLDYCGOR-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO C[NH+](C)CC1CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000350947363 404494838 /nfs/dbraw/zinc/49/48/38/404494838.db2.gz FNZFLEZJGKSNBP-UHFFFAOYSA-N 1 3 314.433 2.152 20 0 DEADHO CN(C)Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000297222692 404507211 /nfs/dbraw/zinc/50/72/11/404507211.db2.gz ZUSDHFLSKPONOS-ALOPSCKCSA-N 1 3 301.434 2.103 20 0 DEADHO CN(C)Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000297222692 404507215 /nfs/dbraw/zinc/50/72/15/404507215.db2.gz ZUSDHFLSKPONOS-ALOPSCKCSA-N 1 3 301.434 2.103 20 0 DEADHO CC[C@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)cn1 ZINC000352749963 404592650 /nfs/dbraw/zinc/59/26/50/404592650.db2.gz VBYBQUYHIVRRJS-HOTGVXAUSA-N 1 3 309.429 2.498 20 0 DEADHO CC[C@H](NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)cn1 ZINC000352749963 404592656 /nfs/dbraw/zinc/59/26/56/404592656.db2.gz VBYBQUYHIVRRJS-HOTGVXAUSA-N 1 3 309.429 2.498 20 0 DEADHO C[NH+](C)CCOc1ccc(CCN[C@H]2CCn3ccnc32)cc1 ZINC000297864246 404645211 /nfs/dbraw/zinc/64/52/11/404645211.db2.gz UGRAKGJWIRCZIN-KRWDZBQOSA-N 1 3 314.433 2.101 20 0 DEADHO Cc1cnn(CC[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000373955072 404655330 /nfs/dbraw/zinc/65/53/30/404655330.db2.gz UGAZPZYXEWGSDD-IRXDYDNUSA-N 1 3 320.481 2.013 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000351482943 404596957 /nfs/dbraw/zinc/59/69/57/404596957.db2.gz DJSJRYTUOZTROM-ATLSCFEFSA-N 1 3 315.461 2.073 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000351482943 404596959 /nfs/dbraw/zinc/59/69/59/404596959.db2.gz DJSJRYTUOZTROM-ATLSCFEFSA-N 1 3 315.461 2.073 20 0 DEADHO CC1(C)CCCN(CCNC(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000338875411 404597111 /nfs/dbraw/zinc/59/71/11/404597111.db2.gz JNEZEFWPUAEVEG-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO c1nc2cnccn2c1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000373828680 404605712 /nfs/dbraw/zinc/60/57/12/404605712.db2.gz KJXAPVMGXCVSFL-QGZVFWFLSA-N 1 3 321.428 2.341 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH+](C)C)CC1)N1CCCCC1 ZINC000365310579 404610792 /nfs/dbraw/zinc/61/07/92/404610792.db2.gz RWOPAUYAFVODJN-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCCCCC1 ZINC000342519029 404630679 /nfs/dbraw/zinc/63/06/79/404630679.db2.gz YZCGDIVLSQHLPH-PMRDEQMMSA-N 1 3 307.482 2.335 20 0 DEADHO C[C@@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCCCCC1 ZINC000342519029 404630683 /nfs/dbraw/zinc/63/06/83/404630683.db2.gz YZCGDIVLSQHLPH-PMRDEQMMSA-N 1 3 307.482 2.335 20 0 DEADHO CC(C)[NH+]1CCC(N(C)C(=O)[C@H](C2CC2)N2CCCC2)CC1 ZINC000352800981 404633549 /nfs/dbraw/zinc/63/35/49/404633549.db2.gz QUBHSOLOAUZJBE-KRWDZBQOSA-N 1 3 307.482 2.192 20 0 DEADHO OCC1([NH2+][C@@H]2CCN3CCC[C@H]3C2)C2CC3CC(C2)CC1C3 ZINC000414560753 404680956 /nfs/dbraw/zinc/68/09/56/404680956.db2.gz RKBDVFGNTFPIQX-WKZQYRDASA-N 1 3 304.478 2.390 20 0 DEADHO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H]2CCCN(C(=O)CN)C2)c1 ZINC000414672799 404704733 /nfs/dbraw/zinc/70/47/33/404704733.db2.gz HYVFLNPQUIKUJH-AEFFLSMTSA-N 1 3 315.461 2.329 20 0 DEADHO Cc1cccc([C@@H]2CCC[N@H+]2C[C@H]2CCCN(C(=O)CN)C2)c1 ZINC000414672799 404704736 /nfs/dbraw/zinc/70/47/36/404704736.db2.gz HYVFLNPQUIKUJH-AEFFLSMTSA-N 1 3 315.461 2.329 20 0 DEADHO CC(C)[N@@H+](Cc1ccc(F)cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414679896 404707421 /nfs/dbraw/zinc/70/74/21/404707421.db2.gz SKGGDMQXKKRXKN-INIZCTEOSA-N 1 3 321.440 2.233 20 0 DEADHO CC(C)[N@H+](Cc1ccc(F)cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414679896 404707425 /nfs/dbraw/zinc/70/74/25/404707425.db2.gz SKGGDMQXKKRXKN-INIZCTEOSA-N 1 3 321.440 2.233 20 0 DEADHO FC(F)(F)Cn1cc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000414772032 404730095 /nfs/dbraw/zinc/73/00/95/404730095.db2.gz BCTXKTCHENTTAX-KGLIPLIRSA-N 1 3 316.371 2.267 20 0 DEADHO c1nc(-c2ccccc2)sc1CNCCCN1CC[NH2+]CC1 ZINC000414774892 404730833 /nfs/dbraw/zinc/73/08/33/404730833.db2.gz CAALRSXOBIBKGA-UHFFFAOYSA-N 1 3 316.474 2.195 20 0 DEADHO COc1ccc(OC)c(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000414778205 404732110 /nfs/dbraw/zinc/73/21/10/404732110.db2.gz GOGBSQXXNLQFMS-AEFFLSMTSA-N 1 3 320.433 2.032 20 0 DEADHO Cc1nn(C)c2ncc(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc12 ZINC000414785586 404735012 /nfs/dbraw/zinc/73/50/12/404735012.db2.gz SVIPQOCZCNRGDE-HOTGVXAUSA-N 1 3 313.449 2.098 20 0 DEADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CC(C)(C)N ZINC000414803660 404739661 /nfs/dbraw/zinc/73/96/61/404739661.db2.gz MIKLYZJDYHOMHZ-UHFFFAOYSA-N 1 3 306.362 2.055 20 0 DEADHO COc1cccc(NC(=O)C[C@@H](C)NC[C@H]2CCC[NH2+]C2)c1 ZINC000414823961 404742803 /nfs/dbraw/zinc/74/28/03/404742803.db2.gz FGRIAUYAVHWBQQ-KGLIPLIRSA-N 1 3 305.422 2.002 20 0 DEADHO COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCNC2)c1 ZINC000414823961 404742806 /nfs/dbraw/zinc/74/28/06/404742806.db2.gz FGRIAUYAVHWBQQ-KGLIPLIRSA-N 1 3 305.422 2.002 20 0 DEADHO FC(F)(F)c1cc(CNCCN2CC[NH2+]CC2)ccc1Cl ZINC000414864881 404751432 /nfs/dbraw/zinc/75/14/32/404751432.db2.gz KLDVOVPIWQEFHK-UHFFFAOYSA-N 1 3 321.774 2.354 20 0 DEADHO CN(C)CCOc1cccc(NC(=O)NC2CCC([NH3+])CC2)c1 ZINC000414874518 404754667 /nfs/dbraw/zinc/75/46/67/404754667.db2.gz BCOFSHJRIBHUNV-UHFFFAOYSA-N 1 3 320.437 2.018 20 0 DEADHO CC(C)(C)N1CCC([NH2+]CCC2CCS(=O)(=O)CC2)CC1 ZINC000358294970 404759081 /nfs/dbraw/zinc/75/90/81/404759081.db2.gz CNHSRYRZISFAHI-UHFFFAOYSA-N 1 3 316.511 2.054 20 0 DEADHO CCc1ccc(C(C)(C)[NH2+]C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414702178 404711831 /nfs/dbraw/zinc/71/18/31/404711831.db2.gz HSDHVTACWBMXQK-INIZCTEOSA-N 1 3 317.477 2.271 20 0 DEADHO C[C@@H]1C[C@@H](CN2CCC[C@@H](Oc3ncccc3F)C2)CC[NH2+]1 ZINC000414740911 404721499 /nfs/dbraw/zinc/72/14/99/404721499.db2.gz KHUNGPMVBQLXHM-QLFBSQMISA-N 1 3 307.413 2.452 20 0 DEADHO COC[C@]1(CN[C@H]2CCN([C@H](C)c3ccccc3)C2)CCC[NH2+]1 ZINC000414936332 404770446 /nfs/dbraw/zinc/77/04/46/404770446.db2.gz BZNODVYAIOHAIO-NZSAHSFTSA-N 1 3 317.477 2.180 20 0 DEADHO Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC[C@@H]1C[NH2+]CCCO1)CC3 ZINC000415033324 404792058 /nfs/dbraw/zinc/79/20/58/404792058.db2.gz GXVGMEPMSRCKQV-GJZGRUSLSA-N 1 3 313.445 2.302 20 0 DEADHO COC(=O)c1cc(CN[C@@H](CCC[NH3+])c2ccccc2)c[nH]1 ZINC000415060704 404797782 /nfs/dbraw/zinc/79/77/82/404797782.db2.gz XISLBUYKWSATOY-HNNXBMFYSA-N 1 3 301.390 2.371 20 0 DEADHO COc1ccsc1CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415104542 404808006 /nfs/dbraw/zinc/80/80/06/404808006.db2.gz HCXQBUIUWWZIPO-BBRMVZONSA-N 1 3 310.463 2.475 20 0 DEADHO C[C@]1(CNC[C@@H]2C[C@H](F)CN2Cc2cccs2)CC[NH2+]C1 ZINC000415107466 404809007 /nfs/dbraw/zinc/80/90/07/404809007.db2.gz OWMYTZVDYPZFMS-DZKIICNBSA-N 1 3 311.470 2.250 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000359917041 404809334 /nfs/dbraw/zinc/80/93/34/404809334.db2.gz LDSWWWZJIJKEHL-OWCLPIDISA-N 1 3 312.502 2.088 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000359917041 404809336 /nfs/dbraw/zinc/80/93/36/404809336.db2.gz LDSWWWZJIJKEHL-OWCLPIDISA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H](CC[NH+](C)C)NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000360802020 404838200 /nfs/dbraw/zinc/83/82/00/404838200.db2.gz ZFXHISJYGAOBRH-CGZBRXJRSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)N1CCCCC1 ZINC000360083959 404817702 /nfs/dbraw/zinc/81/77/02/404817702.db2.gz HREGAJQDKIFUJG-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)N1CCCCC1 ZINC000360083959 404817704 /nfs/dbraw/zinc/81/77/04/404817704.db2.gz HREGAJQDKIFUJG-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(OC)c(O)c2)CC1 ZINC000353381439 404818633 /nfs/dbraw/zinc/81/86/33/404818633.db2.gz FGMGWGMPYOFYGG-CABCVRRESA-N 1 3 321.465 2.077 20 0 DEADHO C[C@H]1CN(C[C@@H]2CCC(C)(C)O2)CCN1C1CC[NH+](C)CC1 ZINC000360135028 404819782 /nfs/dbraw/zinc/81/97/82/404819782.db2.gz YRXXBVWYMIFWCY-RDJZCZTQSA-N 1 3 309.498 2.044 20 0 DEADHO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000353435251 404830394 /nfs/dbraw/zinc/83/03/94/404830394.db2.gz FBORQEMLRDQLNJ-DIECFANBSA-N 1 3 303.450 2.312 20 0 DEADHO CC[C@@H](C)[C@H]([NH3+])C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000423847462 404888785 /nfs/dbraw/zinc/88/87/85/404888785.db2.gz MBZPVIZBNUPOGE-CPUCHLNUSA-N 1 3 318.465 2.097 20 0 DEADHO CC[C@H](N)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423851446 404891422 /nfs/dbraw/zinc/89/14/22/404891422.db2.gz QPAKLAVDCDLAFI-KRWDZBQOSA-N 1 3 315.461 2.238 20 0 DEADHO CC[C@H](N)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423851446 404891428 /nfs/dbraw/zinc/89/14/28/404891428.db2.gz QPAKLAVDCDLAFI-KRWDZBQOSA-N 1 3 315.461 2.238 20 0 DEADHO CCn1nc(C)c(CN2CCC(OCC[NH+](C)C)CC2)c1C ZINC000353537230 404860004 /nfs/dbraw/zinc/86/00/04/404860004.db2.gz ZTNOVKNGZZYJLJ-UHFFFAOYSA-N 1 3 308.470 2.062 20 0 DEADHO Cn1ccnc1[C@H](O)C1CC[NH+](CC[C@H]2CCCCN2C)CC1 ZINC000366878564 404862636 /nfs/dbraw/zinc/86/26/36/404862636.db2.gz MMUWKASAJLYIDC-IAGOWNOFSA-N 1 3 320.481 2.040 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)N(C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000416895617 404954837 /nfs/dbraw/zinc/95/48/37/404954837.db2.gz UWGPECDAQUYLPI-KRWDZBQOSA-N 1 3 318.465 2.032 20 0 DEADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415886689 404962417 /nfs/dbraw/zinc/96/24/17/404962417.db2.gz VRVBAJUCOJVPJZ-CQSZACIVSA-N 1 3 316.449 2.138 20 0 DEADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415886689 404962422 /nfs/dbraw/zinc/96/24/22/404962422.db2.gz VRVBAJUCOJVPJZ-CQSZACIVSA-N 1 3 316.449 2.138 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000416940283 404969437 /nfs/dbraw/zinc/96/94/37/404969437.db2.gz OTGZOCOYZPPVMJ-QGZVFWFLSA-N 1 3 318.465 2.106 20 0 DEADHO C[C@H](CNCC(=O)NCC[NH+]1CCCCCC1)c1ccccc1 ZINC000353668729 404911099 /nfs/dbraw/zinc/91/10/99/404911099.db2.gz ABMLSYGEAISIPZ-QGZVFWFLSA-N 1 3 317.477 2.372 20 0 DEADHO C[C@H]1CCCC[C@@H]1C[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000353674039 404914173 /nfs/dbraw/zinc/91/41/73/404914173.db2.gz RFSSZNBQBXVRDJ-DLBZAZTESA-N 1 3 309.498 2.395 20 0 DEADHO CN(C)[C@H](CNC(=O)NCC1([NH3+])CCCCC1)c1ccccc1 ZINC000416799802 404916332 /nfs/dbraw/zinc/91/63/32/404916332.db2.gz DQQMSVUVUJSSRO-MRXNPFEDSA-N 1 3 318.465 2.250 20 0 DEADHO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000361098293 404917154 /nfs/dbraw/zinc/91/71/54/404917154.db2.gz SEALQXAKSCIPHC-HOTGVXAUSA-N 1 3 317.433 2.405 20 0 DEADHO CC(C)[NH+](CCNC(=O)NC[C@@H](N)c1ccccc1)C(C)C ZINC000416811289 404920335 /nfs/dbraw/zinc/92/03/35/404920335.db2.gz RQANJOLFCBZKSL-MRXNPFEDSA-N 1 3 306.454 2.104 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NC1CC[NH+](CCC)CC1 ZINC000353695042 404925727 /nfs/dbraw/zinc/92/57/27/404925727.db2.gz ONXFDVYGJPUQNJ-UHFFFAOYSA-N 1 3 324.513 2.378 20 0 DEADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC000353705388 404931751 /nfs/dbraw/zinc/93/17/51/404931751.db2.gz GTNVNGIDDBXQFQ-SJLPKXTDSA-N 1 3 319.493 2.051 20 0 DEADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC000353705388 404931755 /nfs/dbraw/zinc/93/17/55/404931755.db2.gz GTNVNGIDDBXQFQ-SJLPKXTDSA-N 1 3 319.493 2.051 20 0 DEADHO CCN(CC)[C@H](CNC(=O)NC[C@@H](C)C[NH2+]C)c1ccccc1 ZINC000416842469 404932035 /nfs/dbraw/zinc/93/20/35/404932035.db2.gz NHCSAMNPYYLROM-DOTOQJQBSA-N 1 3 320.481 2.224 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000416842039 404932127 /nfs/dbraw/zinc/93/21/27/404932127.db2.gz MOALTTRDRDQYCX-SJORKVTESA-N 1 3 318.465 2.121 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N[C@H](C)CCC[NH3+])c1ccccc1 ZINC000416849900 404935394 /nfs/dbraw/zinc/93/53/94/404935394.db2.gz YQIARCQTAATGAC-WBVHZDCISA-N 1 3 320.481 2.496 20 0 DEADHO C[C@H]1NCCN(C(=O)NCC2([NH+](C)C)CCCCCC2)[C@H]1C ZINC000416855385 404938335 /nfs/dbraw/zinc/93/83/35/404938335.db2.gz YBQQIFOCJISZDE-CABCVRRESA-N 1 3 310.486 2.033 20 0 DEADHO CCC([NH3+])(CC)CNC(=O)NCCCN(C)Cc1ccccc1 ZINC000416870132 404941999 /nfs/dbraw/zinc/94/19/99/404941999.db2.gz HUYJGENAPAWNAU-UHFFFAOYSA-N 1 3 320.481 2.325 20 0 DEADHO CN1CC[C@@]2(CCN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC000568309982 292331123 /nfs/dbraw/zinc/33/11/23/292331123.db2.gz DYVKBSCBEJJIQL-GOSISDBHSA-N 1 3 307.482 2.195 20 0 DEADHO CN1CC[C@@]2(CCN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC000568309982 292331125 /nfs/dbraw/zinc/33/11/25/292331125.db2.gz DYVKBSCBEJJIQL-GOSISDBHSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000417051182 405019853 /nfs/dbraw/zinc/01/98/53/405019853.db2.gz YYNPGQHCDZPNMT-HRCADAONSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000417051182 405019859 /nfs/dbraw/zinc/01/98/59/405019859.db2.gz YYNPGQHCDZPNMT-HRCADAONSA-N 1 3 310.486 2.033 20 0 DEADHO CC[NH2+]Cc1cccc(NC(=O)N2CCN(C)CC[C@@H]2C)c1 ZINC000415936280 404976596 /nfs/dbraw/zinc/97/65/96/404976596.db2.gz SVAQAWWGZCPSLR-AWEZNQCLSA-N 1 3 304.438 2.354 20 0 DEADHO CCN(Cc1ccc(OCC(=O)OC)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435394922 404977482 /nfs/dbraw/zinc/97/74/82/404977482.db2.gz QESARGJGSUJBOQ-MRXNPFEDSA-N 1 3 320.433 2.202 20 0 DEADHO COC1CCN(C2(C[NH2+][C@H]3CCN(C)[C@@H](C)C3)CCCC2)CC1 ZINC000361221722 404980381 /nfs/dbraw/zinc/98/03/81/404980381.db2.gz UYPIKZQCDYFHNW-IRXDYDNUSA-N 1 3 323.525 2.482 20 0 DEADHO C[C@@H]1CCN(C)CCN1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415948750 404981832 /nfs/dbraw/zinc/98/18/32/404981832.db2.gz ALERTPMHCCOWFR-GFCCVEGCSA-N 1 3 320.412 2.029 20 0 DEADHO C[NH2+]Cc1ccc(NC(=O)N(C)C[C@H]2CCCN(C)C2)cc1 ZINC000415973176 404989395 /nfs/dbraw/zinc/98/93/95/404989395.db2.gz NXOJADIMARWTDT-HNNXBMFYSA-N 1 3 304.438 2.212 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]([NH2+]C)C1)c1ccsc1 ZINC000417001091 404993355 /nfs/dbraw/zinc/99/33/55/404993355.db2.gz DONDHCLPFQGWAD-LSDHHAIUSA-N 1 3 324.494 2.134 20 0 DEADHO CC[C@@H]([NH3+])CNC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000417005592 404996513 /nfs/dbraw/zinc/99/65/13/404996513.db2.gz JBIYQTZEHGAPOJ-ZIAGYGMSSA-N 1 3 312.483 2.168 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N1CCC[NH2+]CC1)c1ccsc1 ZINC000417011856 405000528 /nfs/dbraw/zinc/00/05/28/405000528.db2.gz UCHQSHUVLGGZJS-OAHLLOKOSA-N 1 3 324.494 2.136 20 0 DEADHO C[NH2+]Cc1ccc(NC(=O)N2CCN(C3CCCC3)CC2)cc1 ZINC000415995896 405000706 /nfs/dbraw/zinc/00/07/06/405000706.db2.gz YFWAHDAHNLTESZ-UHFFFAOYSA-N 1 3 316.449 2.498 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000389932012 405040752 /nfs/dbraw/zinc/04/07/52/405040752.db2.gz LIUGGNKOVLMBQD-JFIYKMOQSA-N 1 3 315.461 2.013 20 0 DEADHO CO[C@@H]1CCN(Cc2ccc(C[N@@H+]3CC[C@@H](OC)C3)cc2)C1 ZINC000361370279 405043196 /nfs/dbraw/zinc/04/31/96/405043196.db2.gz RIIJXBHCHRFVEO-QZTJIDSGSA-N 1 3 304.434 2.128 20 0 DEADHO CO[C@@H]1CCN(Cc2ccc(C[N@H+]3CC[C@@H](OC)C3)cc2)C1 ZINC000361370279 405043199 /nfs/dbraw/zinc/04/31/99/405043199.db2.gz RIIJXBHCHRFVEO-QZTJIDSGSA-N 1 3 304.434 2.128 20 0 DEADHO C[C@@H]1CC[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000436135399 405050063 /nfs/dbraw/zinc/05/00/63/405050063.db2.gz WJNOPJDHSFUYIF-GDBMZVCRSA-N 1 3 322.497 2.033 20 0 DEADHO CC1=CCN(CCNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416199989 405054097 /nfs/dbraw/zinc/05/40/97/405054097.db2.gz AVROBJNCIKWQKM-SFHVURJKSA-N 1 3 315.461 2.448 20 0 DEADHO C[C@@H](NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424285560 405057623 /nfs/dbraw/zinc/05/76/23/405057623.db2.gz FUGITNUGFPYQMT-HZPDHXFCSA-N 1 3 315.461 2.328 20 0 DEADHO C[NH2+]CCC1CCN(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000417321113 405085678 /nfs/dbraw/zinc/08/56/78/405085678.db2.gz BHJJJSGHEMCIMA-HZPDHXFCSA-N 1 3 324.513 2.138 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CN(CC)C[C@H]2C)[C@H](C)C1 ZINC000361483322 405092764 /nfs/dbraw/zinc/09/27/64/405092764.db2.gz DEMXLAJUZAAOMY-ZJPYXAASSA-N 1 3 311.514 2.053 20 0 DEADHO COC1(CN2CCN(C3CC[NH+](C(C)C)CC3)CC2)CCCC1 ZINC000361577750 405140776 /nfs/dbraw/zinc/14/07/76/405140776.db2.gz MDOOTEGGYDQTAJ-UHFFFAOYSA-N 1 3 323.525 2.436 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418604160 405136175 /nfs/dbraw/zinc/13/61/75/405136175.db2.gz XIBWZLASWLFFOE-DLBZAZTESA-N 1 3 318.465 2.066 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418696420 405170706 /nfs/dbraw/zinc/17/07/06/405170706.db2.gz KSHFEMXOYLPGIS-DLBZAZTESA-N 1 3 318.465 2.030 20 0 DEADHO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000452114775 405176211 /nfs/dbraw/zinc/17/62/11/405176211.db2.gz ALZVWPZAHMQZDC-LTIDMASMSA-N 1 3 309.498 2.342 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000368405636 405239418 /nfs/dbraw/zinc/23/94/18/405239418.db2.gz ZQYIJJNDWPSPTK-SJORKVTESA-N 1 3 324.513 2.234 20 0 DEADHO COC(=O)CCN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420316546 405317104 /nfs/dbraw/zinc/31/71/04/405317104.db2.gz SXUFKPKWUIWFOL-CQSZACIVSA-N 1 3 308.447 2.255 20 0 DEADHO COc1cccc([C@H](C)N2CCN(CC[C@H]3CC[NH2+]C3)CC2)c1 ZINC000420322845 405319217 /nfs/dbraw/zinc/31/92/17/405319217.db2.gz SYSMQGZAXWLQGS-DLBZAZTESA-N 1 3 317.477 2.373 20 0 DEADHO Cc1ccccc1OCCCN1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420323606 405319246 /nfs/dbraw/zinc/31/92/46/405319246.db2.gz GHUDZWBOPWWUEF-QGZVFWFLSA-N 1 3 318.461 2.451 20 0 DEADHO Cc1ccccc1OCCC[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000420323606 405319249 /nfs/dbraw/zinc/31/92/49/405319249.db2.gz GHUDZWBOPWWUEF-QGZVFWFLSA-N 1 3 318.461 2.451 20 0 DEADHO Cc1ccccc1OCCC[N@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000420323606 405319253 /nfs/dbraw/zinc/31/92/53/405319253.db2.gz GHUDZWBOPWWUEF-QGZVFWFLSA-N 1 3 318.461 2.451 20 0 DEADHO O=C1[C@H](N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCCN1c1ccccc1 ZINC000420333063 405323120 /nfs/dbraw/zinc/32/31/20/405323120.db2.gz JVDNZRUWOISHQP-SOLBZPMBSA-N 1 3 313.445 2.113 20 0 DEADHO CCN(C(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)C1CCCCC1 ZINC000420335420 405323905 /nfs/dbraw/zinc/32/39/05/405323905.db2.gz HIOWNQLEMNHOHE-DLBZAZTESA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H](CNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)[NH+](C)C ZINC000454385601 405338531 /nfs/dbraw/zinc/33/85/31/405338531.db2.gz WZDDQBSPTVAJAM-YQQAZPJKSA-N 1 3 318.465 2.071 20 0 DEADHO C[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)N1CCCC[C@@H]1C ZINC000443625061 405339740 /nfs/dbraw/zinc/33/97/40/405339740.db2.gz HJJHIKDZCHEAHW-QZWWFDLISA-N 1 3 324.513 2.231 20 0 DEADHO C[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)N1CCCC[C@@H]1C ZINC000443625061 405339742 /nfs/dbraw/zinc/33/97/42/405339742.db2.gz HJJHIKDZCHEAHW-QZWWFDLISA-N 1 3 324.513 2.231 20 0 DEADHO [NH3+]CCOCCN1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000420383407 405339953 /nfs/dbraw/zinc/33/99/53/405339953.db2.gz ZPACUCNQVFJRKY-ZDUSSCGKSA-N 1 3 302.340 2.470 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)C[C@H]1CCCN1C ZINC000420785912 405383941 /nfs/dbraw/zinc/38/39/41/405383941.db2.gz IQJIOIHJDXTPKJ-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(C)C[C@H]1CCCN1C ZINC000420785912 405383944 /nfs/dbraw/zinc/38/39/44/405383944.db2.gz IQJIOIHJDXTPKJ-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO CCN1CCCN(C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000446578677 405385216 /nfs/dbraw/zinc/38/52/16/405385216.db2.gz VQMLYBFRIYNZKL-UHFFFAOYSA-N 1 3 318.465 2.350 20 0 DEADHO C[C@@H]1CCC[C@@](CNC(=O)N(C)C[C@@H]2CCCN2C)([NH+](C)C)C1 ZINC000420795025 405385469 /nfs/dbraw/zinc/38/54/69/405385469.db2.gz DFUSUTJKYPICJA-SOLBZPMBSA-N 1 3 324.513 2.233 20 0 DEADHO CC[NH+]1CCC(NC[C@](C)(C(=O)OC)c2ccc(F)cc2)CC1 ZINC000447059936 405400535 /nfs/dbraw/zinc/40/05/35/405400535.db2.gz MXVDQFZLYBGLGC-SFHVURJKSA-N 1 3 322.424 2.330 20 0 DEADHO Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](N(C)C)CC2)nc1 ZINC000447327751 405410769 /nfs/dbraw/zinc/41/07/69/405410769.db2.gz XVCFIZDEQAFHPB-HNNXBMFYSA-N 1 3 304.438 2.135 20 0 DEADHO Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](N(C)C)CC2)nc1 ZINC000447327751 405410770 /nfs/dbraw/zinc/41/07/70/405410770.db2.gz XVCFIZDEQAFHPB-HNNXBMFYSA-N 1 3 304.438 2.135 20 0 DEADHO CN1CCC[C@@H]1C[N@H+](C)Cc1cccc(CN2CCOCC2)c1 ZINC000420996416 405423510 /nfs/dbraw/zinc/42/35/10/405423510.db2.gz JLMFPABMZSQWDF-LJQANCHMSA-N 1 3 317.477 2.045 20 0 DEADHO CN1CCC[C@@H]1C[N@@H+](C)Cc1cccc(CN2CCOCC2)c1 ZINC000420996416 405423513 /nfs/dbraw/zinc/42/35/13/405423513.db2.gz JLMFPABMZSQWDF-LJQANCHMSA-N 1 3 317.477 2.045 20 0 DEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000454652729 405375943 /nfs/dbraw/zinc/37/59/43/405375943.db2.gz WLCSGFNCHIQQDY-CVEARBPZSA-N 1 3 322.497 2.033 20 0 DEADHO COc1ccc(NC(=O)CCN2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000430594134 405463953 /nfs/dbraw/zinc/46/39/53/405463953.db2.gz JVTDZGJNFWECOO-KGLIPLIRSA-N 1 3 305.422 2.083 20 0 DEADHO CSc1ccccc1NC(=O)CCN1CCC[C@H](C[NH3+])C1 ZINC000430619168 405467359 /nfs/dbraw/zinc/46/73/59/405467359.db2.gz ZPQFZUMLODGMQW-CYBMUJFWSA-N 1 3 307.463 2.408 20 0 DEADHO CNC(=O)CCN[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638443159 405472292 /nfs/dbraw/zinc/47/22/92/405472292.db2.gz IGISLCHIMHXNDZ-WBVHZDCISA-N 1 3 301.434 2.080 20 0 DEADHO CNC(=O)CCN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638443159 405472297 /nfs/dbraw/zinc/47/22/97/405472297.db2.gz IGISLCHIMHXNDZ-WBVHZDCISA-N 1 3 301.434 2.080 20 0 DEADHO Cc1cc(N2CCC(N[C@H](C)C[C@@H]3CCC[NH2+]3)CC2)nc(C)n1 ZINC000577601256 405476775 /nfs/dbraw/zinc/47/67/75/405476775.db2.gz NTHHRCDROXAFJQ-DYVFJYSZSA-N 1 3 317.481 2.182 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+][C@H](C)CCCCO)CC1 ZINC000449429829 405558521 /nfs/dbraw/zinc/55/85/21/405558521.db2.gz VOPJBYGNNBXBKW-QGZVFWFLSA-N 1 3 319.493 2.469 20 0 DEADHO CC(C)CN(CC(C)C)C(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000431021046 405561702 /nfs/dbraw/zinc/56/17/02/405561702.db2.gz ADRIHVOHLLIBBQ-UHFFFAOYSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@@H](CC[NH2+]C[C@H](O)COc1ccccc1F)N1CCCCC1 ZINC000577723413 405499443 /nfs/dbraw/zinc/49/94/43/405499443.db2.gz XIWAKNUCVGIKDC-HOTGVXAUSA-N 1 3 324.440 2.420 20 0 DEADHO Cc1ccccc1CCNC(=O)[C@H](C)N1CCC([C@@H](C)[NH3+])CC1 ZINC000430953523 405542778 /nfs/dbraw/zinc/54/27/78/405542778.db2.gz BZTGSLJZLBGVJC-CVEARBPZSA-N 1 3 317.477 2.101 20 0 DEADHO C[C@@H]([NH3+])C1CCN([C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)CC1 ZINC000430956548 405544915 /nfs/dbraw/zinc/54/49/15/405544915.db2.gz PEUYSJDHOUUJAL-OAGGEKHMSA-N 1 3 317.477 2.354 20 0 DEADHO CO[C@H](CNC1CC[NH+](C[C@H]2CCOC2)CC1)C1CCCC1 ZINC000638669708 405607047 /nfs/dbraw/zinc/60/70/47/405607047.db2.gz VWROLJKOPDUMDN-CRAIPNDOSA-N 1 3 310.482 2.282 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3(CC)CC3)CC2)CC1 ZINC000557634553 405613628 /nfs/dbraw/zinc/61/36/28/405613628.db2.gz IWSGCNGKGUWRDO-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1Cc1ccccc1 ZINC000635934485 405616476 /nfs/dbraw/zinc/61/64/76/405616476.db2.gz CKHSSQAFSYWQQA-WBVHZDCISA-N 1 3 315.461 2.107 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](CN)c1ccccc1 ZINC000431063090 405569478 /nfs/dbraw/zinc/56/94/78/405569478.db2.gz XLGKXVCDUIFZJX-QZTJIDSGSA-N 1 3 317.477 2.500 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](CN)c1ccccc1 ZINC000431063090 405569485 /nfs/dbraw/zinc/56/94/85/405569485.db2.gz XLGKXVCDUIFZJX-QZTJIDSGSA-N 1 3 317.477 2.500 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000431062782 405569976 /nfs/dbraw/zinc/56/99/76/405569976.db2.gz UADUBLNNCKYHQV-OIISXLGYSA-N 1 3 301.434 2.080 20 0 DEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCNC(=O)/C=C/c1ccccc1 ZINC000493824793 405576454 /nfs/dbraw/zinc/57/64/54/405576454.db2.gz ZXCTVVRJGSYVGT-FDRAFAAVSA-N 1 3 315.461 2.184 20 0 DEADHO CSc1ccc([C@@H](CNC(=O)/C=C\C[NH+](C)C)N(C)C)cc1 ZINC000493842212 405587163 /nfs/dbraw/zinc/58/71/63/405587163.db2.gz YUEPLDNRPQHURT-MWWKQMNYSA-N 1 3 321.490 2.245 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000458790598 405595012 /nfs/dbraw/zinc/59/50/12/405595012.db2.gz QEWJUAUZAQIXRA-SJLPKXTDSA-N 1 3 324.513 2.234 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000458790598 405595014 /nfs/dbraw/zinc/59/50/14/405595014.db2.gz QEWJUAUZAQIXRA-SJLPKXTDSA-N 1 3 324.513 2.234 20 0 DEADHO CN(C[C@H]1CCCN1C)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000421702285 405597329 /nfs/dbraw/zinc/59/73/29/405597329.db2.gz JUBGQGWRGAVRBG-GOSISDBHSA-N 1 3 315.461 2.449 20 0 DEADHO CCC[C@@](C)(N)C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000449645087 405655700 /nfs/dbraw/zinc/65/57/00/405655700.db2.gz IBWCAMBMDCMLFB-YXJHDRRASA-N 1 3 321.440 2.153 20 0 DEADHO O=C(Nc1ccc2c(c1)CNC2)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449670803 405679137 /nfs/dbraw/zinc/67/91/37/405679137.db2.gz JHQPHQWEISFVCE-LJQANCHMSA-N 1 3 307.397 2.160 20 0 DEADHO Cc1ccc([C@H](CN[C@@H]2CCCC[C@@H]2C[NH3+])N2CCOCC2)o1 ZINC000422797464 405684985 /nfs/dbraw/zinc/68/49/85/405684985.db2.gz MPMBVDZSYUDONJ-ZACQAIPSSA-N 1 3 321.465 2.068 20 0 DEADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCC1=CCCOC1 ZINC000423119313 405701940 /nfs/dbraw/zinc/70/19/40/405701940.db2.gz DNQDIIMEFTXEBN-AEFFLSMTSA-N 1 3 300.402 2.179 20 0 DEADHO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000449716859 405707686 /nfs/dbraw/zinc/70/76/86/405707686.db2.gz DCMZVPLWDYLQRT-QXCFHYIPSA-N 1 3 318.461 2.291 20 0 DEADHO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000449716856 405708599 /nfs/dbraw/zinc/70/85/99/405708599.db2.gz DCMZVPLWDYLQRT-GDAAHCPNSA-N 1 3 318.461 2.291 20 0 DEADHO CC(C)(CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)S(C)(=O)=O ZINC000423188839 405715838 /nfs/dbraw/zinc/71/58/38/405715838.db2.gz QPLCRYKOMBCBRS-QLFBSQMISA-N 1 3 316.511 2.100 20 0 DEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000568750838 292364750 /nfs/dbraw/zinc/36/47/50/292364750.db2.gz LZIRYXLVYBDRKL-ARFHVFGLSA-N 1 3 310.413 2.028 20 0 DEADHO COc1ccccc1NC(=O)C[C@@H](C)N[C@H](C[NH3+])CC(C)C ZINC000423260004 405740847 /nfs/dbraw/zinc/74/08/47/405740847.db2.gz GLGBBQFQEFNUFN-KGLIPLIRSA-N 1 3 307.438 2.375 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])C2CCC2)N(C)C)cc1 ZINC000423306538 405753749 /nfs/dbraw/zinc/75/37/49/405753749.db2.gz LQECRVYVTYGMEZ-SJORKVTESA-N 1 3 303.450 2.095 20 0 DEADHO C[N@H+](CCCCNC(=O)NCCN1CCCC(C)(C)C1)C1CC1 ZINC000459167891 405779982 /nfs/dbraw/zinc/77/99/82/405779982.db2.gz VAALMPAPMSEOMB-UHFFFAOYSA-N 1 3 324.513 2.282 20 0 DEADHO C[N@@H+](CCCCNC(=O)NCCN1CCCC(C)(C)C1)C1CC1 ZINC000459167891 405779992 /nfs/dbraw/zinc/77/99/92/405779992.db2.gz VAALMPAPMSEOMB-UHFFFAOYSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)C1 ZINC000423369679 405780569 /nfs/dbraw/zinc/78/05/69/405780569.db2.gz SXTJIPSOXZAEOE-AHCXZYCDSA-N 1 3 315.461 2.326 20 0 DEADHO C[NH2+]CCc1ccccc1C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000423372548 405782425 /nfs/dbraw/zinc/78/24/25/405782425.db2.gz VYLMWXBPRPELOQ-HZPDHXFCSA-N 1 3 317.477 2.299 20 0 DEADHO CN(C(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)[C@@H]1CCN(C2CC2)C1 ZINC000423392653 405786194 /nfs/dbraw/zinc/78/61/94/405786194.db2.gz XYCGVYQVKVYXQY-SJORKVTESA-N 1 3 315.461 2.408 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)C(C)(C)[C@H](N)c2ccccc2)CC[N@@H+]1C ZINC000423396830 405788507 /nfs/dbraw/zinc/78/85/07/405788507.db2.gz BJBOLRDGBNUZAP-VNQPRFMTSA-N 1 3 303.450 2.312 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)C(C)(C)[C@H](N)c2ccccc2)CC[N@H+]1C ZINC000423396830 405788513 /nfs/dbraw/zinc/78/85/13/405788513.db2.gz BJBOLRDGBNUZAP-VNQPRFMTSA-N 1 3 303.450 2.312 20 0 DEADHO C[C@@H]1C[C@@H](N(C)C(=O)C2(C)C[NH2+]C2)CCN1Cc1ccccc1 ZINC000423394167 405788873 /nfs/dbraw/zinc/78/88/73/405788873.db2.gz PYEJBINWZRELDT-WBVHZDCISA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CN1C1CC1 ZINC000423436310 405804830 /nfs/dbraw/zinc/80/48/30/405804830.db2.gz SKUYYQASKIYRSV-UNEWFSDZSA-N 1 3 315.461 2.454 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CCC[NH2+][C@@H]3C)C2)cc1 ZINC000639001659 405811888 /nfs/dbraw/zinc/81/18/88/405811888.db2.gz LSURQSNZKNCCHR-NJAFHUGGSA-N 1 3 315.461 2.074 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000639002190 405814193 /nfs/dbraw/zinc/81/41/93/405814193.db2.gz ZRGXLEKXLMPPCQ-MSOLQXFVSA-N 1 3 315.461 2.075 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)C2)cc1 ZINC000639006101 405817966 /nfs/dbraw/zinc/81/79/66/405817966.db2.gz SFOAPUHIAUIRDR-KURKYZTESA-N 1 3 315.461 2.203 20 0 DEADHO Fc1ccc([C@@H](NCCC[C@H]2CCC[NH2+]2)c2nnc[nH]2)cc1 ZINC000423483079 405820998 /nfs/dbraw/zinc/82/09/98/405820998.db2.gz PWTNHUGWWDMVSD-HUUCEWRRSA-N 1 3 303.385 2.155 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](N)C1CCC1)Cc1ccccc1 ZINC000423327997 405763865 /nfs/dbraw/zinc/76/38/65/405763865.db2.gz NOYNGIUKKVHPJS-MSOLQXFVSA-N 1 3 317.477 2.183 20 0 DEADHO [NH3+]C[C@H]1Cc2ccccc2N(C(=O)c2cccc3c2CNC3)C1 ZINC000639024934 405827493 /nfs/dbraw/zinc/82/74/93/405827493.db2.gz RYMXNKDUVYUFKL-CYBMUJFWSA-N 1 3 307.397 2.068 20 0 DEADHO COCCOc1ccc([C@@H](C)NCC2=CC[NH2+]CC2)cc1OC ZINC000423337250 405767968 /nfs/dbraw/zinc/76/79/68/405767968.db2.gz HNDGCHPBTMQDHA-CQSZACIVSA-N 1 3 320.433 2.291 20 0 DEADHO C[C@@H]1CCN[C@H](C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000423355128 405774063 /nfs/dbraw/zinc/77/40/63/405774063.db2.gz OPMDGBMVAJVRJL-AEFFLSMTSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CCN[C@H](C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000423355128 405774072 /nfs/dbraw/zinc/77/40/72/405774072.db2.gz OPMDGBMVAJVRJL-AEFFLSMTSA-N 1 3 321.509 2.489 20 0 DEADHO N[C@@H](CC1CCCCC1)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423605048 405872856 /nfs/dbraw/zinc/87/28/56/405872856.db2.gz GOWXNKGCVJKYSM-OKZBNKHCSA-N 1 3 315.461 2.237 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000433125926 405873057 /nfs/dbraw/zinc/87/30/57/405873057.db2.gz MLUBHDPSSPWJMM-OIISXLGYSA-N 1 3 303.450 2.169 20 0 DEADHO CCN1CCC[C@H](C[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000459388112 405882939 /nfs/dbraw/zinc/88/29/39/405882939.db2.gz LDERYQMLAFNEIN-MRXNPFEDSA-N 1 3 302.466 2.372 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC000636327916 405895024 /nfs/dbraw/zinc/89/50/24/405895024.db2.gz BEHYHFOGFDYVHE-QZTJIDSGSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC000636327916 405895031 /nfs/dbraw/zinc/89/50/31/405895031.db2.gz BEHYHFOGFDYVHE-QZTJIDSGSA-N 1 3 315.461 2.027 20 0 DEADHO [NH3+][C@H]1CC[C@H](NC(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000639041312 405837895 /nfs/dbraw/zinc/83/78/95/405837895.db2.gz JJCGOXUDMXYTTI-IYARVYRRSA-N 1 3 315.461 2.285 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC000433379932 405937818 /nfs/dbraw/zinc/93/78/18/405937818.db2.gz XHSASDPECBRECA-MRXNPFEDSA-N 1 3 303.450 2.305 20 0 DEADHO CC[N@H+](Cc1ccc(CN(C)C)cc1)C[C@]1(OC)CCOC1 ZINC000639173465 405944925 /nfs/dbraw/zinc/94/49/25/405944925.db2.gz ZBVQSEITQXLJPM-GOSISDBHSA-N 1 3 306.450 2.376 20 0 DEADHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)C[C@]1(OC)CCOC1 ZINC000639173465 405944933 /nfs/dbraw/zinc/94/49/33/405944933.db2.gz ZBVQSEITQXLJPM-GOSISDBHSA-N 1 3 306.450 2.376 20 0 DEADHO C[NH2+]CCCC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000423753226 405946569 /nfs/dbraw/zinc/94/65/69/405946569.db2.gz XAGPCRSFBUWDEG-UHFFFAOYSA-N 1 3 317.477 2.153 20 0 DEADHO C[C@H](C[NH3+])C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000423754408 405948157 /nfs/dbraw/zinc/94/81/57/405948157.db2.gz HXQVFUWZPXUDOT-CQSZACIVSA-N 1 3 323.868 2.359 20 0 DEADHO Cc1cccc2c1OC[C@@H](NC1CC[NH+](CC(C)(C)O)CC1)C2 ZINC000639194337 405961777 /nfs/dbraw/zinc/96/17/77/405961777.db2.gz AMCKOXIRTCCDJR-KRWDZBQOSA-N 1 3 318.461 2.123 20 0 DEADHO CC(C)C[C@H]([NH2+]C1CC(C(C)(C)C)C1)C(=O)NCCN(C)C ZINC000459454729 405909530 /nfs/dbraw/zinc/90/95/30/405909530.db2.gz OACIXAADGIAINS-GPANFISMSA-N 1 3 311.514 2.493 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423712381 405923216 /nfs/dbraw/zinc/92/32/16/405923216.db2.gz ODJFTVUHXWWVSJ-KURKYZTESA-N 1 3 315.461 2.107 20 0 DEADHO O[C@@H]1CCC[C@H]1[NH+]1CCC(NCc2ccc3[nH]cnc3c2)CC1 ZINC000531759835 406002297 /nfs/dbraw/zinc/00/22/97/406002297.db2.gz STWVBRHIYBUTSI-QZTJIDSGSA-N 1 3 314.433 2.030 20 0 DEADHO O[C@@H]1CCC[C@H]1[NH+]1CCC(NCc2ccc3nc[nH]c3c2)CC1 ZINC000531759835 406002303 /nfs/dbraw/zinc/00/23/03/406002303.db2.gz STWVBRHIYBUTSI-QZTJIDSGSA-N 1 3 314.433 2.030 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]CCN2CC[C@H](C)C2)[C@H](C)C1 ZINC000532530853 406083525 /nfs/dbraw/zinc/08/35/25/406083525.db2.gz QWAMGZFGFOLXAW-KSZLIROESA-N 1 3 311.514 2.055 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C)N(C)C ZINC000532216700 406055988 /nfs/dbraw/zinc/05/59/88/406055988.db2.gz VIYHXYSBZJSDCL-GJZGRUSLSA-N 1 3 311.857 2.399 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C)[NH+](C)C ZINC000532216700 406055992 /nfs/dbraw/zinc/05/59/92/406055992.db2.gz VIYHXYSBZJSDCL-GJZGRUSLSA-N 1 3 311.857 2.399 20 0 DEADHO NC(=O)c1cccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000567648389 406112136 /nfs/dbraw/zinc/11/21/36/406112136.db2.gz LCVGPTPUJPJSQJ-FGTMMUONSA-N 1 3 315.461 2.228 20 0 DEADHO C[C@@H](CN(C)C)NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000478722223 406156784 /nfs/dbraw/zinc/15/67/84/406156784.db2.gz LVZQAVQKRUNLOB-HNNXBMFYSA-N 1 3 318.465 2.032 20 0 DEADHO CCN1CCN(CCCC[NH2+]C/C=C/c2ccncc2)CC1 ZINC000486958948 406194165 /nfs/dbraw/zinc/19/41/65/406194165.db2.gz QMXJCMLWNIQOHI-AATRIKPKSA-N 1 3 302.466 2.102 20 0 DEADHO CN(CCCN(C)Cc1c[nH]nc1C(C)(C)C)CC[NH+](C)C ZINC000568140547 406196008 /nfs/dbraw/zinc/19/60/08/406196008.db2.gz OUCQUSIAIYUNOU-UHFFFAOYSA-N 1 3 309.502 2.023 20 0 DEADHO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]2CNCc3ccccc32)C1 ZINC000569239080 406225758 /nfs/dbraw/zinc/22/57/58/406225758.db2.gz WHJUYBCRZOZXAE-QAPCUYQASA-N 1 3 315.461 2.064 20 0 DEADHO CCC[NH+]1CCC(NCCn2ccc(C(F)(F)F)n2)CC1 ZINC000634687737 406225778 /nfs/dbraw/zinc/22/57/78/406225778.db2.gz XSUBAERLRILXTD-UHFFFAOYSA-N 1 3 304.360 2.366 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CNCc3ccccc32)C1 ZINC000519638422 406226477 /nfs/dbraw/zinc/22/64/77/406226477.db2.gz ATVYHRSKSMMAOP-YJBOKZPZSA-N 1 3 315.461 2.110 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CNCc3ccccc32)C1 ZINC000519638422 406226478 /nfs/dbraw/zinc/22/64/78/406226478.db2.gz ATVYHRSKSMMAOP-YJBOKZPZSA-N 1 3 315.461 2.110 20 0 DEADHO [NH3+]C[C@H](NC(=O)NC[C@H]1CCCCN1C1CC1)C1CCCCC1 ZINC000568966199 292379922 /nfs/dbraw/zinc/37/99/22/292379922.db2.gz BQNNZUWDUHGTNX-SJORKVTESA-N 1 3 322.497 2.210 20 0 DEADHO C[C@H]1CCCC[C@H]1NC(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639759729 406237560 /nfs/dbraw/zinc/23/75/60/406237560.db2.gz HTSDOQQZDIEJMV-JKSUJKDBSA-N 1 3 307.482 2.099 20 0 DEADHO CC[N@H+](CCNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1)C(C)C ZINC000488685629 406337556 /nfs/dbraw/zinc/33/75/56/406337556.db2.gz NTZRMAOCAWEVTC-GVDBMIGSSA-N 1 3 324.513 2.088 20 0 DEADHO CC[N@@H+](CCNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1)C(C)C ZINC000488685629 406337560 /nfs/dbraw/zinc/33/75/60/406337560.db2.gz NTZRMAOCAWEVTC-GVDBMIGSSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)c1ccc(S(C)(=O)=O)cc1 ZINC000635010956 406398257 /nfs/dbraw/zinc/39/82/57/406398257.db2.gz CCFNBNBLJJIAMD-KMFMINBZSA-N 1 3 324.490 2.301 20 0 DEADHO CCO[C@@H]1C[C@@H](Nc2cc(N3CCNCC3)cc[nH+]2)C12CCC2 ZINC000635008846 406398997 /nfs/dbraw/zinc/39/89/97/406398997.db2.gz KYLTZJLDNACMKV-HZPDHXFCSA-N 1 3 316.449 2.251 20 0 DEADHO C[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000635011735 406399913 /nfs/dbraw/zinc/39/99/13/406399913.db2.gz GNSIXFKYMOIQAM-CKEIUWERSA-N 1 3 324.490 2.171 20 0 DEADHO C[C@H](C[NH2+][C@@H]1CCNCC[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000635011735 406399917 /nfs/dbraw/zinc/39/99/17/406399917.db2.gz GNSIXFKYMOIQAM-CKEIUWERSA-N 1 3 324.490 2.171 20 0 DEADHO CC[C@@]1(O)CCC[N@@H+](C/C=C/CN2CCC[C@@](O)(CC)C2)C1 ZINC000640036583 406368327 /nfs/dbraw/zinc/36/83/27/406368327.db2.gz UHJMUYUEKWHDFL-FBLDJFESSA-N 1 3 310.482 2.016 20 0 DEADHO CC[C@@]1(O)CCC[N@H+](C/C=C/CN2CCC[C@@](O)(CC)C2)C1 ZINC000640036583 406368330 /nfs/dbraw/zinc/36/83/30/406368330.db2.gz UHJMUYUEKWHDFL-FBLDJFESSA-N 1 3 310.482 2.016 20 0 DEADHO CC[C@@]1(O)CCCN(C/C=C/C[N@@H+]2CCC[C@@](O)(CC)C2)C1 ZINC000640036583 406368334 /nfs/dbraw/zinc/36/83/34/406368334.db2.gz UHJMUYUEKWHDFL-FBLDJFESSA-N 1 3 310.482 2.016 20 0 DEADHO CC[C@@]1(O)CCCN(C/C=C/C[N@H+]2CCC[C@@](O)(CC)C2)C1 ZINC000640036583 406368338 /nfs/dbraw/zinc/36/83/38/406368338.db2.gz UHJMUYUEKWHDFL-FBLDJFESSA-N 1 3 310.482 2.016 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N2CCC(C)([NH+]3CCCC3)CC2)CCN1C ZINC000633092781 406379429 /nfs/dbraw/zinc/37/94/29/406379429.db2.gz LXZQXHXDLALRTB-HZPDHXFCSA-N 1 3 322.497 2.129 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000525301407 406483943 /nfs/dbraw/zinc/48/39/43/406483943.db2.gz JCAHOVUUVCCGGV-SJORKVTESA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548716474 406543581 /nfs/dbraw/zinc/54/35/81/406543581.db2.gz ZGNVCIWZGIOXSA-WMLDXEAASA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548716474 406543582 /nfs/dbraw/zinc/54/35/82/406543582.db2.gz ZGNVCIWZGIOXSA-WMLDXEAASA-N 1 3 307.482 2.240 20 0 DEADHO CC[NH2+][C@H](C)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000638070042 406554355 /nfs/dbraw/zinc/55/43/55/406554355.db2.gz OQWBOLMVZBRKID-WBVHZDCISA-N 1 3 303.450 2.328 20 0 DEADHO COC[C@H](O)CNCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000572274984 406636877 /nfs/dbraw/zinc/63/68/77/406636877.db2.gz VCXTZBFKQYEPIA-CRAIPNDOSA-N 1 3 306.450 2.015 20 0 DEADHO COC[C@H](O)CNCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000572274984 406636880 /nfs/dbraw/zinc/63/68/80/406636880.db2.gz VCXTZBFKQYEPIA-CRAIPNDOSA-N 1 3 306.450 2.015 20 0 DEADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000635527570 406576277 /nfs/dbraw/zinc/57/62/77/406576277.db2.gz KCNFOYXLUIYLLP-RDBSUJKOSA-N 1 3 322.478 2.016 20 0 DEADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000635527569 406576496 /nfs/dbraw/zinc/57/64/96/406576496.db2.gz KCNFOYXLUIYLLP-MGPQQGTHSA-N 1 3 322.478 2.016 20 0 DEADHO CN(C)C1(C[NH2+]C2CCN(CC(C)(C)O)CC2)CCCCC1 ZINC000638281335 406670759 /nfs/dbraw/zinc/67/07/59/406670759.db2.gz QLPHLJZDTQLCHN-UHFFFAOYSA-N 1 3 311.514 2.076 20 0 DEADHO CC(C)(O)CN1CCC([NH2+]CC(C)(C)N2CCCCC2)CC1 ZINC000638290843 406675852 /nfs/dbraw/zinc/67/58/52/406675852.db2.gz ITJIKJKLALGORN-UHFFFAOYSA-N 1 3 311.514 2.076 20 0 DEADHO CC[NH2+][C@@H](C)C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000638377703 406734681 /nfs/dbraw/zinc/73/46/81/406734681.db2.gz JRHSSLOKRDEZOM-HNNXBMFYSA-N 1 3 318.465 2.145 20 0 DEADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000527745759 406735934 /nfs/dbraw/zinc/73/59/34/406735934.db2.gz OAUPPVCXKXCXHX-IRXDYDNUSA-N 1 3 322.497 2.177 20 0 DEADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000527745759 406735936 /nfs/dbraw/zinc/73/59/36/406735936.db2.gz OAUPPVCXKXCXHX-IRXDYDNUSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@H]([NH2+]C(C)(C)CNC(=O)/C=C\CN(C)C)c1ccccc1 ZINC000491873091 406758239 /nfs/dbraw/zinc/75/82/39/406758239.db2.gz SUYQCTFAJVEDFZ-LMRWQKIVSA-N 1 3 303.450 2.350 20 0 DEADHO C[C@@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)[C@@H]1CC12CC2 ZINC000527857086 406773112 /nfs/dbraw/zinc/77/31/12/406773112.db2.gz BRDMSWJGXAHFLS-PBHICJAKSA-N 1 3 315.461 2.256 20 0 DEADHO CO[C@H](CNCCC[NH+]1C[C@@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000638371227 406730590 /nfs/dbraw/zinc/73/05/90/406730590.db2.gz JVXNYBPQEOSENW-XYJFISCASA-N 1 3 312.498 2.386 20 0 DEADHO CO[C@H](C[NH2+]CCCN1C[C@@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000638371227 406730593 /nfs/dbraw/zinc/73/05/93/406730593.db2.gz JVXNYBPQEOSENW-XYJFISCASA-N 1 3 312.498 2.386 20 0 DEADHO C[C@H]([NH3+])CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000641414116 406798972 /nfs/dbraw/zinc/79/89/72/406798972.db2.gz VOFBNONRIQOCLA-UXLLHSPISA-N 1 3 318.465 2.028 20 0 DEADHO CCc1nc(C)c(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)o1 ZINC000641817968 406901340 /nfs/dbraw/zinc/90/13/40/406901340.db2.gz ALMGGCSAMMUPEM-SOUVJXGZSA-N 1 3 307.438 2.264 20 0 DEADHO Fc1ccc(CCN2CCC([NH2+]CCNC3CC3)CC2)cc1 ZINC000643506199 407009286 /nfs/dbraw/zinc/00/92/86/407009286.db2.gz NXSRZIVWJPKZNS-UHFFFAOYSA-N 1 3 305.441 2.174 20 0 DEADHO COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCNC3(CCC3)C1)CO2 ZINC000643548611 407012971 /nfs/dbraw/zinc/01/29/71/407012971.db2.gz RXSDQYBKAJPHJU-CABCVRRESA-N 1 3 302.418 2.263 20 0 DEADHO C[C@H](c1ccncc1)N1CCC([NH2+][C@H]2CNC[C@@H](C)C2)CC1 ZINC000647550487 407019122 /nfs/dbraw/zinc/01/91/22/407019122.db2.gz UCWZHPLMGRCTIY-HDMKZQKVSA-N 1 3 302.466 2.195 20 0 DEADHO C[C@H](c1ccncc1)N1CCC(N[C@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC000647550487 407019124 /nfs/dbraw/zinc/01/91/24/407019124.db2.gz UCWZHPLMGRCTIY-HDMKZQKVSA-N 1 3 302.466 2.195 20 0 DEADHO COC1([C@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)CCCCC1 ZINC000643346139 406986043 /nfs/dbraw/zinc/98/60/43/406986043.db2.gz CNJDWQMQFBMMHW-DLBZAZTESA-N 1 3 323.525 2.482 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@@H]1NC1CCN(C(=O)NC2CCCCC2)CC1 ZINC000643469998 407004241 /nfs/dbraw/zinc/00/42/41/407004241.db2.gz OVESOZKGEULKBM-PBHICJAKSA-N 1 3 322.497 2.081 20 0 DEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCCCN1 ZINC000643501622 407007865 /nfs/dbraw/zinc/00/78/65/407007865.db2.gz MJSRRLYIHMYLML-RYRKJORJSA-N 1 3 302.466 2.024 20 0 DEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000643501622 407007870 /nfs/dbraw/zinc/00/78/70/407007870.db2.gz MJSRRLYIHMYLML-RYRKJORJSA-N 1 3 302.466 2.024 20 0 DEADHO C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976775 407091667 /nfs/dbraw/zinc/09/16/67/407091667.db2.gz UFWONKBCHIMQBN-OWSLCNJRSA-N 1 3 321.509 2.393 20 0 DEADHO CC(C)CN(C(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)C1CC1 ZINC000647978132 407093000 /nfs/dbraw/zinc/09/30/00/407093000.db2.gz NBMVUDABWBTDFV-DLBZAZTESA-N 1 3 321.509 2.345 20 0 DEADHO CCOc1ccccc1NC(=O)CCN1CCC[C@H](C[NH3+])C1 ZINC000647827200 407057935 /nfs/dbraw/zinc/05/79/35/407057935.db2.gz WGLDZZBDXXPNBW-CQSZACIVSA-N 1 3 305.422 2.085 20 0 DEADHO Cc1noc(C)c1[C@@H](C)CNC1CC[NH+](CC(C)(C)O)CC1 ZINC000647909353 407072514 /nfs/dbraw/zinc/07/25/14/407072514.db2.gz FCYFBWHDBZZDCR-LBPRGKRZSA-N 1 3 309.454 2.220 20 0 DEADHO COc1ccc(CCC[N@H+](C)C[C@H](O)CN(C)C(C)C)cc1 ZINC000647960404 407086081 /nfs/dbraw/zinc/08/60/81/407086081.db2.gz XHGVRFPQXIKFAE-KRWDZBQOSA-N 1 3 308.466 2.261 20 0 DEADHO COc1ccc(CCC[N@@H+](C)C[C@H](O)CN(C)C(C)C)cc1 ZINC000647960404 407086083 /nfs/dbraw/zinc/08/60/83/407086083.db2.gz XHGVRFPQXIKFAE-KRWDZBQOSA-N 1 3 308.466 2.261 20 0 DEADHO C[C@H](C(=O)N[C@H]1CC[NH2+]C12CCCC2)[C@@H](N)c1ccccc1 ZINC000648205699 407138215 /nfs/dbraw/zinc/13/82/15/407138215.db2.gz LLIOKVCTKWMBIS-CWRNSKLLSA-N 1 3 301.434 2.113 20 0 DEADHO CN(C)CCOc1ccc(CN2CCC[C@H]3C[N@H+](C)C[C@H]32)cc1 ZINC000644906056 407213993 /nfs/dbraw/zinc/21/39/93/407213993.db2.gz RFJJXVQDLFUKBB-PKOBYXMFSA-N 1 3 317.477 2.153 20 0 DEADHO CN(C)CCOc1ccc(CN2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC000644906056 407213994 /nfs/dbraw/zinc/21/39/94/407213994.db2.gz RFJJXVQDLFUKBB-PKOBYXMFSA-N 1 3 317.477 2.153 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)c1ccccc1 ZINC000645183741 407243564 /nfs/dbraw/zinc/24/35/64/407243564.db2.gz QNXOQMCHJIABKN-HZPDHXFCSA-N 1 3 303.450 2.184 20 0 DEADHO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000645215394 407247955 /nfs/dbraw/zinc/24/79/55/407247955.db2.gz LBTGUVBUTUJJKM-MAUKXSAKSA-N 1 3 306.450 2.268 20 0 DEADHO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000645215395 407248092 /nfs/dbraw/zinc/24/80/92/407248092.db2.gz LBTGUVBUTUJJKM-QAPCUYQASA-N 1 3 306.450 2.268 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000423829826 287318752 /nfs/dbraw/zinc/31/87/52/287318752.db2.gz AABUXZJTIHGWPR-XIRDDKMYSA-N 1 3 303.450 2.011 20 0 DEADHO CC[C@@H]1OCC[C@H]1N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423170692 287343098 /nfs/dbraw/zinc/34/30/98/287343098.db2.gz MRWHYFVJLXSHJE-XLMAVXFVSA-N 1 3 302.418 2.399 20 0 DEADHO CC[C@@](CN[C@@H]1CCC[NH2+]CC1)(C(=O)OC)c1ccccc1 ZINC000415132146 287399601 /nfs/dbraw/zinc/39/96/01/287399601.db2.gz AIHDUKFQOGMAID-AEFFLSMTSA-N 1 3 304.434 2.239 20 0 DEADHO CCN1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)[C@H](C)C1 ZINC000291155498 222180201 /nfs/dbraw/zinc/18/02/01/222180201.db2.gz HRSBDJYKYLFKJP-FMKPAKJESA-N 1 3 319.424 2.251 20 0 DEADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2COC(C)(C)C2)cc1 ZINC000417907371 229141566 /nfs/dbraw/zinc/14/15/66/229141566.db2.gz HBEBQJVTJCTVQU-INIZCTEOSA-N 1 3 306.450 2.327 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@H](C[NH3+])C1CC1)N(C)C ZINC000418176017 229255509 /nfs/dbraw/zinc/25/55/09/229255509.db2.gz GQJOQBNXGKAZGI-XYPHTWIQSA-N 1 3 318.465 2.023 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCCCC[NH3+])N(C)C ZINC000418180263 229256876 /nfs/dbraw/zinc/25/68/76/229256876.db2.gz KBDAOAGZCKPHOQ-ZBFHGGJFSA-N 1 3 306.454 2.024 20 0 DEADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCCCC[NH3+])N(C)C ZINC000418180261 229257592 /nfs/dbraw/zinc/25/75/92/229257592.db2.gz KBDAOAGZCKPHOQ-GOEBONIOSA-N 1 3 306.454 2.024 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000418191047 229262206 /nfs/dbraw/zinc/26/22/06/229262206.db2.gz XCIGTUZCPVQLEL-IIAWOOMASA-N 1 3 306.454 2.104 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000422806514 287619475 /nfs/dbraw/zinc/61/94/75/287619475.db2.gz NLYOHJIJDGSIDK-NEWSRXKRSA-N 1 3 317.477 2.038 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)NC(C)(C)CC[NH3+])CN1Cc1ccccc1 ZINC000422606582 230153355 /nfs/dbraw/zinc/15/33/55/230153355.db2.gz SMHYDAADAPZCMU-GOEBONIOSA-N 1 3 318.465 2.076 20 0 DEADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(CN2CCCC2=O)cc1 ZINC000422721658 230176019 /nfs/dbraw/zinc/17/60/19/230176019.db2.gz VYRWFSXJZGYNJN-YJBOKZPZSA-N 1 3 315.461 2.287 20 0 DEADHO CN(C)C(=O)c1cccc(CCN[C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422777385 230203580 /nfs/dbraw/zinc/20/35/80/230203580.db2.gz FMKKGRYZCSMMIO-IRXDYDNUSA-N 1 3 303.450 2.181 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H](CO)Cc1c(F)cccc1Cl ZINC000422794885 230214088 /nfs/dbraw/zinc/21/40/88/230214088.db2.gz HEKPNKFDJQPESV-SRVKXCTJSA-N 1 3 302.821 2.346 20 0 DEADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H](CO)Cc1c(F)cccc1Cl ZINC000422794885 230214090 /nfs/dbraw/zinc/21/40/90/230214090.db2.gz HEKPNKFDJQPESV-SRVKXCTJSA-N 1 3 302.821 2.346 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000422896289 230265103 /nfs/dbraw/zinc/26/51/03/230265103.db2.gz IDZSWLURRPBUPH-IHRRRGAJSA-N 1 3 319.449 2.120 20 0 DEADHO Cc1ccc(C(=O)N2CCC([NH2+][C@H](C)C[C@H](C)N)CC2)cc1 ZINC000422900288 230268201 /nfs/dbraw/zinc/26/82/01/230268201.db2.gz AJSCVDXONGQWEQ-LSDHHAIUSA-N 1 3 303.450 2.315 20 0 DEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422928208 230281069 /nfs/dbraw/zinc/28/10/69/230281069.db2.gz JNGZTLWZIHTOHN-JSGCOSHPSA-N 1 3 310.825 2.371 20 0 DEADHO C[C@H]1CCNC[C@H]1[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000422969372 230299578 /nfs/dbraw/zinc/29/95/78/230299578.db2.gz UGWJVRKEGCCONA-HNAYVOBHSA-N 1 3 318.461 2.470 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000423051627 230329244 /nfs/dbraw/zinc/32/92/44/230329244.db2.gz NTCKVJVRFIIXIY-AFAVFJNCSA-N 1 3 319.424 2.202 20 0 DEADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000423051628 230330680 /nfs/dbraw/zinc/33/06/80/230330680.db2.gz NTCKVJVRFIIXIY-JCURWCKSSA-N 1 3 319.424 2.202 20 0 DEADHO c1cc2cc(CCN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)ccc2[nH]1 ZINC000423093688 230347480 /nfs/dbraw/zinc/34/74/80/230347480.db2.gz ABAUKJMDQKNXCG-BHIYHBOVSA-N 1 3 313.445 2.457 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC000634457067 424844254 /nfs/dbraw/zinc/84/42/54/424844254.db2.gz QMPYPNSHMKCHQK-QGZVFWFLSA-N 1 3 303.450 2.026 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC000634457067 424844255 /nfs/dbraw/zinc/84/42/55/424844255.db2.gz QMPYPNSHMKCHQK-QGZVFWFLSA-N 1 3 303.450 2.026 20 0 DEADHO C[C@@H]1[C@H](C(=O)N2CCN(C3CCC(C)CC3)CC2)CC[N@@H+]1C ZINC000648786941 424906859 /nfs/dbraw/zinc/90/68/59/424906859.db2.gz WWTUVKDTWIBUTK-MNAZLIDISA-N 1 3 307.482 2.050 20 0 DEADHO C[C@@H]1[C@H](C(=O)N2CCN(C3CCC(C)CC3)CC2)CC[N@H+]1C ZINC000648786941 424906860 /nfs/dbraw/zinc/90/68/60/424906860.db2.gz WWTUVKDTWIBUTK-MNAZLIDISA-N 1 3 307.482 2.050 20 0 DEADHO C[C@@H]1[C@H](C(=O)N(CCN2CCCC2)c2ccccc2)CC[N@@H+]1C ZINC000648793202 424907399 /nfs/dbraw/zinc/90/73/99/424907399.db2.gz OYGQOFACCUSULO-SJLPKXTDSA-N 1 3 315.461 2.456 20 0 DEADHO C[C@@H]1[C@H](C(=O)N(CCN2CCCC2)c2ccccc2)CC[N@H+]1C ZINC000648793202 424907402 /nfs/dbraw/zinc/90/74/02/424907402.db2.gz OYGQOFACCUSULO-SJLPKXTDSA-N 1 3 315.461 2.456 20 0 DEADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H](c1ccccc1)N(C)C ZINC000648864000 424919058 /nfs/dbraw/zinc/91/90/58/424919058.db2.gz IJABEPHAZSSLHF-XOSAIJSUSA-N 1 3 303.450 2.134 20 0 DEADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H](c1ccccc1)N(C)C ZINC000648864000 424919060 /nfs/dbraw/zinc/91/90/60/424919060.db2.gz IJABEPHAZSSLHF-XOSAIJSUSA-N 1 3 303.450 2.134 20 0 DEADHO CO[C@H]1CC[N@H+](Cc2ccc(OCCN(C)C)cc2)C[C@@H]1C ZINC000648742362 424900698 /nfs/dbraw/zinc/90/06/98/424900698.db2.gz SCZCKJIBXYWPJP-YJBOKZPZSA-N 1 3 306.450 2.484 20 0 DEADHO CO[C@H]1CC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C[C@@H]1C ZINC000648742362 424900700 /nfs/dbraw/zinc/90/07/00/424900700.db2.gz SCZCKJIBXYWPJP-YJBOKZPZSA-N 1 3 306.450 2.484 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000649373133 425003550 /nfs/dbraw/zinc/00/35/50/425003550.db2.gz RUJLYGGQYCKUKJ-MRXNPFEDSA-N 1 3 301.434 2.153 20 0 DEADHO C[C@H](C[C@H]1CCC[NH2+]1)N[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000415086169 424949151 /nfs/dbraw/zinc/94/91/51/424949151.db2.gz JHNBPUFCRPAKHX-OIISXLGYSA-N 1 3 307.482 2.288 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649323778 424991903 /nfs/dbraw/zinc/99/19/03/424991903.db2.gz YVUCNRGXBDCVMU-UWIFEVILSA-N 1 3 313.445 2.079 20 0 DEADHO Cc1ccc(NC(=O)CCC(C)(C)[NH3+])c(OCCN(C)C)c1 ZINC000649336464 424997104 /nfs/dbraw/zinc/99/71/04/424997104.db2.gz XEJULKTZASVIGC-UHFFFAOYSA-N 1 3 307.438 2.391 20 0 DEADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3cccc4c3OCO4)C2)C1 ZINC000650705847 425037941 /nfs/dbraw/zinc/03/79/41/425037941.db2.gz YKLRBTBLZMEDGL-LXZKKBNFSA-N 1 3 318.417 2.134 20 0 DEADHO CCO[C@@H]1CN(C[C@H](C)Cc2ccc(OC)c(F)c2)C[C@H]1C[NH3+] ZINC000650714524 425041368 /nfs/dbraw/zinc/04/13/68/425041368.db2.gz LBZXDRWSEPRXGL-DDUZABMNSA-N 1 3 324.440 2.309 20 0 DEADHO CC(C)n1nccc1CN1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650723238 425042479 /nfs/dbraw/zinc/04/24/79/425042479.db2.gz JZKLSHAHFUSVCE-DJIMGWMZSA-N 1 3 306.454 2.325 20 0 DEADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000650757801 425049089 /nfs/dbraw/zinc/04/90/89/425049089.db2.gz BBXYEQDVTVQKST-CQSZACIVSA-N 1 3 322.416 2.233 20 0 DEADHO CON1CCC([N@H+](C)Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000651611931 425140869 /nfs/dbraw/zinc/14/08/69/425140869.db2.gz LKYNBNXARWICSY-UHFFFAOYSA-N 1 3 321.465 2.085 20 0 DEADHO CON1CCC([N@@H+](C)Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000651611931 425140870 /nfs/dbraw/zinc/14/08/70/425140870.db2.gz LKYNBNXARWICSY-UHFFFAOYSA-N 1 3 321.465 2.085 20 0 DEADHO CN1CCN(CC[C@H]2CCC[N@@H+]2C)[C@@H](Cc2ccccc2)C1 ZINC000649828699 425087792 /nfs/dbraw/zinc/08/77/92/425087792.db2.gz PZJZOJSLDXGVDY-MOPGFXCFSA-N 1 3 301.478 2.329 20 0 DEADHO CN1CCN(CC[C@H]2CCC[N@H+]2C)[C@@H](Cc2ccccc2)C1 ZINC000649828699 425087794 /nfs/dbraw/zinc/08/77/94/425087794.db2.gz PZJZOJSLDXGVDY-MOPGFXCFSA-N 1 3 301.478 2.329 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000666753952 425174968 /nfs/dbraw/zinc/17/49/68/425174968.db2.gz DBHHMTAQCVASIL-QGZVFWFLSA-N 1 3 324.513 2.234 20 0 DEADHO CC(C)(CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)N1CCCCC1 ZINC000652119061 425189594 /nfs/dbraw/zinc/18/95/94/425189594.db2.gz JKKFMVDBYHGUOI-YJBOKZPZSA-N 1 3 322.497 2.021 20 0 DEADHO CCC[N@@H+](Cc1ccccc1F)C[C@H]1CCCN(C(=O)CN)C1 ZINC000656791635 425191224 /nfs/dbraw/zinc/19/12/24/425191224.db2.gz IKHAYGXGFWHIAI-OAHLLOKOSA-N 1 3 321.440 2.235 20 0 DEADHO CCC[N@H+](Cc1ccccc1F)C[C@H]1CCCN(C(=O)CN)C1 ZINC000656791635 425191229 /nfs/dbraw/zinc/19/12/29/425191229.db2.gz IKHAYGXGFWHIAI-OAHLLOKOSA-N 1 3 321.440 2.235 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000660666560 425200689 /nfs/dbraw/zinc/20/06/89/425200689.db2.gz RRFNPNITCCKGSZ-IAGOWNOFSA-N 1 3 324.513 2.280 20 0 DEADHO CN(C)C(=O)CCC[NH+]1CCC(NCc2ccccc2)CC1 ZINC000660674984 425202981 /nfs/dbraw/zinc/20/29/81/425202981.db2.gz DWXUVHAYODULLD-UHFFFAOYSA-N 1 3 303.450 2.109 20 0 DEADHO CCN(C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCN(C)C1 ZINC000663654565 425206269 /nfs/dbraw/zinc/20/62/69/425206269.db2.gz HZTDNOBVELVEJT-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO CCN(C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CCN(C)C1 ZINC000663654565 425206273 /nfs/dbraw/zinc/20/62/73/425206273.db2.gz HZTDNOBVELVEJT-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO CC(C)C[C@@H](CN(C)C)NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000660828478 425247051 /nfs/dbraw/zinc/24/70/51/425247051.db2.gz YPHUHORAAHOWGH-GJZGRUSLSA-N 1 3 312.502 2.135 20 0 DEADHO CC(C)C[C@@H](CN(C)C)NC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000660828478 425247055 /nfs/dbraw/zinc/24/70/55/425247055.db2.gz YPHUHORAAHOWGH-GJZGRUSLSA-N 1 3 312.502 2.135 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000660830613 425248569 /nfs/dbraw/zinc/24/85/69/425248569.db2.gz YXNUYMHGZVFEEM-DLBZAZTESA-N 1 3 324.513 2.138 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)NCC[C@@H](C)[NH+](C)C)N(C)C)cc1 ZINC000663843974 425249497 /nfs/dbraw/zinc/24/94/97/425249497.db2.gz PQCRLWDHQLPNEO-NVXWUHKLSA-N 1 3 320.481 2.237 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NCCC1CC[NH+](C)CC1 ZINC000660843413 425253593 /nfs/dbraw/zinc/25/35/93/425253593.db2.gz XHPXQLSWNRJCIJ-INIZCTEOSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCN1C ZINC000660859175 425261102 /nfs/dbraw/zinc/26/11/02/425261102.db2.gz WQAFVUNRCCPFIE-OWCLPIDISA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CCN1C ZINC000660859175 425261105 /nfs/dbraw/zinc/26/11/05/425261105.db2.gz WQAFVUNRCCPFIE-OWCLPIDISA-N 1 3 322.497 2.175 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CCN2C(C)(C)C)C1 ZINC000660890655 425269777 /nfs/dbraw/zinc/26/97/77/425269777.db2.gz RSJYXKSIBSSXGK-HZPDHXFCSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CCN2C(C)(C)C)C1 ZINC000660890655 425269779 /nfs/dbraw/zinc/26/97/79/425269779.db2.gz RSJYXKSIBSSXGK-HZPDHXFCSA-N 1 3 324.513 2.136 20 0 DEADHO CC[N@H+](CCCNC(=O)C1CCN(C)CC1)C1CCCCC1 ZINC000652756736 425321339 /nfs/dbraw/zinc/32/13/39/425321339.db2.gz RCHZFTMHKLVVCG-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CC[N@@H+](CCCNC(=O)C1CCN(C)CC1)C1CCCCC1 ZINC000652756736 425321345 /nfs/dbraw/zinc/32/13/45/425321345.db2.gz RCHZFTMHKLVVCG-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO c1nn2c(c1C[NH2+]C[C@H]1CCN(Cc3ccccc3)C1)CCC2 ZINC000657453289 425338591 /nfs/dbraw/zinc/33/85/91/425338591.db2.gz UOOOLBMGAYRXBJ-QGZVFWFLSA-N 1 3 310.445 2.441 20 0 DEADHO CCC[N@H+](C)CC(C)(C)NC(=O)NC[C@@H]1CCCCN1CC ZINC000664076513 425302990 /nfs/dbraw/zinc/30/29/90/425302990.db2.gz HHEJQFIQELKCMY-HNNXBMFYSA-N 1 3 312.502 2.280 20 0 DEADHO CCC[N@@H+](C)CC(C)(C)NC(=O)NC[C@@H]1CCCCN1CC ZINC000664076513 425302993 /nfs/dbraw/zinc/30/29/93/425302993.db2.gz HHEJQFIQELKCMY-HNNXBMFYSA-N 1 3 312.502 2.280 20 0 DEADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000654422872 425349600 /nfs/dbraw/zinc/34/96/00/425349600.db2.gz RQWKZZDCOCENQX-HNNXBMFYSA-N 1 3 312.502 2.233 20 0 DEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000654422872 425349603 /nfs/dbraw/zinc/34/96/03/425349603.db2.gz RQWKZZDCOCENQX-HNNXBMFYSA-N 1 3 312.502 2.233 20 0 DEADHO C[N@H+](CCNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12)C1CCCC1 ZINC000654430045 425352680 /nfs/dbraw/zinc/35/26/80/425352680.db2.gz CPAJLCLUMXCJAJ-SJORKVTESA-N 1 3 322.497 2.177 20 0 DEADHO C[N@@H+](CCNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12)C1CCCC1 ZINC000654430045 425352684 /nfs/dbraw/zinc/35/26/84/425352684.db2.gz CPAJLCLUMXCJAJ-SJORKVTESA-N 1 3 322.497 2.177 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000661209250 425352744 /nfs/dbraw/zinc/35/27/44/425352744.db2.gz AOCNZCZHQPWTKT-GJZGRUSLSA-N 1 3 312.502 2.279 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000661209250 425352748 /nfs/dbraw/zinc/35/27/48/425352748.db2.gz AOCNZCZHQPWTKT-GJZGRUSLSA-N 1 3 312.502 2.279 20 0 DEADHO C[NH+](C)C1CCC(NC(=O)NC[C@H]2CCN2C(C)(C)C)CC1 ZINC000661338481 425384665 /nfs/dbraw/zinc/38/46/65/425384665.db2.gz ZQGUZZJSWQITOV-YMAMQOFZSA-N 1 3 310.486 2.031 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653151822 425419815 /nfs/dbraw/zinc/41/98/15/425419815.db2.gz UTTJBULRJXUZAG-KBAYOESNSA-N 1 3 315.461 2.013 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000654738776 425430181 /nfs/dbraw/zinc/43/01/81/425430181.db2.gz QYIWGTQRSKYWCB-ULQDDVLXSA-N 1 3 322.497 2.127 20 0 DEADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000654738776 425430185 /nfs/dbraw/zinc/43/01/85/425430185.db2.gz QYIWGTQRSKYWCB-ULQDDVLXSA-N 1 3 322.497 2.127 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000661515577 425432029 /nfs/dbraw/zinc/43/20/29/425432029.db2.gz TVBFZJLTHVWPIH-OAHLLOKOSA-N 1 3 324.513 2.375 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000661515577 425432031 /nfs/dbraw/zinc/43/20/31/425432031.db2.gz TVBFZJLTHVWPIH-OAHLLOKOSA-N 1 3 324.513 2.375 20 0 DEADHO CC[N@H+](CCCNC(=O)C(N)C(F)(F)F)C1CCCCC1 ZINC000653200984 425432865 /nfs/dbraw/zinc/43/28/65/425432865.db2.gz WEQQWBMPBDULIG-GFCCVEGCSA-N 1 3 309.376 2.037 20 0 DEADHO CC[N@@H+](CCCNC(=O)C(N)C(F)(F)F)C1CCCCC1 ZINC000653200984 425432868 /nfs/dbraw/zinc/43/28/68/425432868.db2.gz WEQQWBMPBDULIG-GFCCVEGCSA-N 1 3 309.376 2.037 20 0 DEADHO C[C@H](C(=O)NCc1ccc(C[NH3+])cc1F)[C@H](N)c1ccccc1 ZINC000653225919 425439043 /nfs/dbraw/zinc/43/90/43/425439043.db2.gz KCSZERYGUMEKFH-SJCJKPOMSA-N 1 3 315.392 2.237 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](NCCO[C@@H]2CC2(F)F)[C@H](C)C1 ZINC000658171573 425449976 /nfs/dbraw/zinc/44/99/76/425449976.db2.gz ZLWSFSOIGQIGPQ-QLFBSQMISA-N 1 3 320.424 2.137 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](NCCO[C@@H]2CC2(F)F)[C@H](C)C1 ZINC000658171573 425449980 /nfs/dbraw/zinc/44/99/80/425449980.db2.gz ZLWSFSOIGQIGPQ-QLFBSQMISA-N 1 3 320.424 2.137 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CCN1C ZINC000658168550 425450380 /nfs/dbraw/zinc/45/03/80/425450380.db2.gz XNTPBBQWFPKYRH-VQIMIIECSA-N 1 3 316.493 2.366 20 0 DEADHO CN(C/C=C\C[N@H+](C)CC1=CCCOC1)CC1=CCCOC1 ZINC000661652240 425472019 /nfs/dbraw/zinc/47/20/19/425472019.db2.gz KSEUGUIIIZMESW-ARJAWSKDSA-N 1 3 306.450 2.100 20 0 DEADHO CN(C/C=C\C[N@@H+](C)CC1=CCCOC1)CC1=CCCOC1 ZINC000661652240 425472021 /nfs/dbraw/zinc/47/20/21/425472021.db2.gz KSEUGUIIIZMESW-ARJAWSKDSA-N 1 3 306.450 2.100 20 0 DEADHO C[C@@H]([NH2+]CC1(N)CCCC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000665248153 425528098 /nfs/dbraw/zinc/52/80/98/425528098.db2.gz QHYVMKZEAXAMFS-SJLPKXTDSA-N 1 3 317.477 2.310 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CC[C@@H]3C)CC2)CC1 ZINC000655076015 425494681 /nfs/dbraw/zinc/49/46/81/425494681.db2.gz DYEYTQTZMBBVAS-WMLDXEAASA-N 1 3 307.482 2.097 20 0 DEADHO [NH3+][C@@H]1Cc2ccccc2N(C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000659326454 425578005 /nfs/dbraw/zinc/57/80/05/425578005.db2.gz ZXRQNNSJXWWOGB-WBVHZDCISA-N 1 3 307.397 2.138 20 0 DEADHO Cc1ccccc1CCC[NH+]1CCC(N2CC[C@@H](O)C2)CC1 ZINC000662158382 425579421 /nfs/dbraw/zinc/57/94/21/425579421.db2.gz SNZDZVYTXWHDFD-LJQANCHMSA-N 1 3 302.462 2.459 20 0 DEADHO COc1ccccc1[C@@H]1CCCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258949 425604781 /nfs/dbraw/zinc/60/47/81/425604781.db2.gz YWCXQZPWENYJOB-ZBFHGGJFSA-N 1 3 302.418 2.353 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000662425223 425648037 /nfs/dbraw/zinc/64/80/37/425648037.db2.gz CDKKNASHFKGEFF-IRXDYDNUSA-N 1 3 303.450 2.246 20 0 DEADHO CO[C@](C)(CO)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000655786358 425654743 /nfs/dbraw/zinc/65/47/43/425654743.db2.gz PIVGWIBZOPVPMV-NXHRZFHOSA-N 1 3 306.450 2.027 20 0 DEADHO CO[C@](C)(CO)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000655786358 425654748 /nfs/dbraw/zinc/65/47/48/425654748.db2.gz PIVGWIBZOPVPMV-NXHRZFHOSA-N 1 3 306.450 2.027 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C[C@H]3NCc4ccccc43)CC[C@H]21 ZINC000662503171 425667084 /nfs/dbraw/zinc/66/70/84/425667084.db2.gz QAIFIFATKXDWKZ-KBAYOESNSA-N 1 3 313.445 2.164 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C[C@H]3NCc4ccccc43)CC[C@H]21 ZINC000662503171 425667089 /nfs/dbraw/zinc/66/70/89/425667089.db2.gz QAIFIFATKXDWKZ-KBAYOESNSA-N 1 3 313.445 2.164 20 0 DEADHO C[NH+](C)[C@H]1C[C@@H](CNCc2ncc(Br)s2)C1 ZINC000655827739 425667372 /nfs/dbraw/zinc/66/73/72/425667372.db2.gz YZYWBWXYOZDTRM-DTORHVGOSA-N 1 3 304.257 2.335 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662499186 425667684 /nfs/dbraw/zinc/66/76/84/425667684.db2.gz XFZOVEJFIVDELO-QAPCUYQASA-N 1 3 315.461 2.315 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662499186 425667689 /nfs/dbraw/zinc/66/76/89/425667689.db2.gz XFZOVEJFIVDELO-QAPCUYQASA-N 1 3 315.461 2.315 20 0 DEADHO CC(C)N(C)C[C@@H](O)C[NH+]1CCC(COc2ccccc2)CC1 ZINC000659850927 425669058 /nfs/dbraw/zinc/66/90/58/425669058.db2.gz CHPAEAMUMWMZBH-GOSISDBHSA-N 1 3 320.477 2.479 20 0 DEADHO CN(C)C[C@@H]1CCCN1C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662527659 425675437 /nfs/dbraw/zinc/67/54/37/425675437.db2.gz DYPUEPPHVKCTRJ-SJORKVTESA-N 1 3 315.461 2.231 20 0 DEADHO CN1CC[C@H](NC(=O)NCC2([NH3+])CCCC2)[C@H]1c1ccccc1 ZINC000659473399 425611981 /nfs/dbraw/zinc/61/19/81/425611981.db2.gz JDBJSPXPYFBXRV-JKSUJKDBSA-N 1 3 316.449 2.003 20 0 DEADHO [NH3+]CC1(O)CCN(CCSc2cccc(Cl)c2)CC1 ZINC000662284257 425614727 /nfs/dbraw/zinc/61/47/27/425614727.db2.gz UUYPKYVSUUILFO-UHFFFAOYSA-N 1 3 300.855 2.218 20 0 DEADHO O=C(CN1CCC[C@H](C2CC[NH2+]CC2)C1)NC(C1CC1)C1CC1 ZINC000662295657 425615659 /nfs/dbraw/zinc/61/56/59/425615659.db2.gz HLGFPWXZSSPOOG-KRWDZBQOSA-N 1 3 319.493 2.003 20 0 DEADHO C[C@@H](C(=O)N1CCCCC1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292193 425616257 /nfs/dbraw/zinc/61/62/57/425616257.db2.gz CBCSJCPVGGDYNO-RDJZCZTQSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H](C(=O)N1CCC(C)CC1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295070 425616483 /nfs/dbraw/zinc/61/64/83/425616483.db2.gz DVBNOMRDBXYSGW-WMZOPIPTSA-N 1 3 321.509 2.345 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)NCC1([NH3+])CCCC1 ZINC000659572200 425630406 /nfs/dbraw/zinc/63/04/06/425630406.db2.gz RBZOBBVQTYNVEY-UHFFFAOYSA-N 1 3 324.513 2.411 20 0 DEADHO C[C@@H]1CCC[C@@](C[NH2+]C2CCN([C@@H]3CCOC3)CC2)(N(C)C)C1 ZINC000655697780 425632015 /nfs/dbraw/zinc/63/20/15/425632015.db2.gz VYRKEZWPIOZACW-BHIYHBOVSA-N 1 3 323.525 2.340 20 0 DEADHO CN(C)[C@H](CNC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccsc1 ZINC000655695345 425632080 /nfs/dbraw/zinc/63/20/80/425632080.db2.gz JZDHXPKRNBNGEV-IAGOWNOFSA-N 1 3 323.506 2.194 20 0 DEADHO CC[C@@H]([NH2+]C)C(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC ZINC000662366041 425634227 /nfs/dbraw/zinc/63/42/27/425634227.db2.gz ZVBAFKYVIBDJFC-SJORKVTESA-N 1 3 321.465 2.192 20 0 DEADHO CC(C)N1CCC[C@@H](C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000655717061 425637014 /nfs/dbraw/zinc/63/70/14/425637014.db2.gz TWQUWYSSTFOBQP-PKOBYXMFSA-N 1 3 323.525 2.340 20 0 DEADHO C[C@@H](CNC(=O)c1cccc2c1CNC2)C[NH+]1CCCCC1 ZINC000662394141 425640638 /nfs/dbraw/zinc/64/06/38/425640638.db2.gz BAWPBXQNASRSNV-AWEZNQCLSA-N 1 3 301.434 2.142 20 0 DEADHO CCc1c(C)[nH+]c2ccccc2c1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656218561 425736003 /nfs/dbraw/zinc/73/60/03/425736003.db2.gz CBZSJHBYQWHCSV-LSDHHAIUSA-N 1 3 311.429 2.361 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662834704 425743337 /nfs/dbraw/zinc/74/33/37/425743337.db2.gz JFSVYDQWBHXPGF-BZSNNMDCSA-N 1 3 313.445 2.354 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662834704 425743342 /nfs/dbraw/zinc/74/33/42/425743342.db2.gz JFSVYDQWBHXPGF-BZSNNMDCSA-N 1 3 313.445 2.354 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)c1cc2c(s1)CCNC2 ZINC000662580344 425685058 /nfs/dbraw/zinc/68/50/58/425685058.db2.gz GLSROJDZPRWPOT-UHFFFAOYSA-N 1 3 309.479 2.102 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)c1cc2c(s1)CCNC2 ZINC000662580344 425685059 /nfs/dbraw/zinc/68/50/59/425685059.db2.gz GLSROJDZPRWPOT-UHFFFAOYSA-N 1 3 309.479 2.102 20 0 DEADHO C[NH2+]CCc1ccccc1C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000662835050 425743836 /nfs/dbraw/zinc/74/38/36/425743836.db2.gz KGVAXXULHVQXDC-ROUUACIJSA-N 1 3 315.461 2.195 20 0 DEADHO C[C@H](CC(=O)N[C@@H]1CCCN2CCCC[C@@H]12)C1CC[NH2+]CC1 ZINC000662836799 425744122 /nfs/dbraw/zinc/74/41/22/425744122.db2.gz DMGCHALXPIRCLM-OIISXLGYSA-N 1 3 307.482 2.145 20 0 DEADHO CC1(C)CC[NH2+][C@@H]1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000662666467 425708265 /nfs/dbraw/zinc/70/82/65/425708265.db2.gz SOKNGFULTQZVIE-DLBZAZTESA-N 1 3 315.461 2.328 20 0 DEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2(NC3CC3)CCC2)C1 ZINC000662694914 425713633 /nfs/dbraw/zinc/71/36/33/425713633.db2.gz DHMGHCWDJGHYEJ-CQSZACIVSA-N 1 3 307.482 2.288 20 0 DEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2(NC3CC3)CCC2)C1 ZINC000662694914 425713638 /nfs/dbraw/zinc/71/36/38/425713638.db2.gz DHMGHCWDJGHYEJ-CQSZACIVSA-N 1 3 307.482 2.288 20 0 DEADHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cccc2c1CCNC2 ZINC000662712983 425720284 /nfs/dbraw/zinc/72/02/84/425720284.db2.gz WKDNUQLSNLVCQW-GJZGRUSLSA-N 1 3 315.461 2.325 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662720890 425722017 /nfs/dbraw/zinc/72/20/17/425722017.db2.gz FZHKXGJWAIAZEX-BPUTZDHNSA-N 1 3 301.434 2.066 20 0 DEADHO CCN1CC[C@H](N2CCC(CCC[NH+]3CCCC3)CC2)C1=O ZINC000660120824 425744784 /nfs/dbraw/zinc/74/47/84/425744784.db2.gz IYMSEANPTBOVDV-KRWDZBQOSA-N 1 3 307.482 2.195 20 0 DEADHO COc1ccc([C@H](CN[C@H]2CCC[C@H]([NH3+])C2)N(C)C)cc1OC ZINC000656198333 425729339 /nfs/dbraw/zinc/72/93/39/425729339.db2.gz QKKVNUTVLTXTLR-JYJNAYRXSA-N 1 3 321.465 2.166 20 0 DEADHO C[C@@H](CNC(=O)NC[C@H]1CCN1C(C)(C)C)[N@@H+]1CCCC[C@H]1C ZINC000660341913 425797936 /nfs/dbraw/zinc/79/79/36/425797936.db2.gz HFJJWIRGWHLPGH-OWCLPIDISA-N 1 3 324.513 2.421 20 0 DEADHO C[C@@H](CNC(=O)NC[C@H]1CCN1C(C)(C)C)[N@H+]1CCCC[C@H]1C ZINC000660341913 425797938 /nfs/dbraw/zinc/79/79/38/425797938.db2.gz HFJJWIRGWHLPGH-OWCLPIDISA-N 1 3 324.513 2.421 20 0 DEADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000662840056 425745642 /nfs/dbraw/zinc/74/56/42/425745642.db2.gz XFRAWVQQNKKTKX-BPKGMFCQSA-N 1 3 305.466 2.040 20 0 DEADHO CC(C)N1CCN(C2CC[NH+]([C@@H]3COC(C)(C)C3)CC2)CC1 ZINC000660151518 425752300 /nfs/dbraw/zinc/75/23/00/425752300.db2.gz TVBBWBCOIOCVEM-KRWDZBQOSA-N 1 3 309.498 2.044 20 0 DEADHO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C2(N)CCCC2)C1 ZINC000662873060 425753597 /nfs/dbraw/zinc/75/35/97/425753597.db2.gz UKARELKPJFRGPT-KRWDZBQOSA-N 1 3 315.461 2.033 20 0 DEADHO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C2(N)CCCC2)C1 ZINC000662873060 425753599 /nfs/dbraw/zinc/75/35/99/425753599.db2.gz UKARELKPJFRGPT-KRWDZBQOSA-N 1 3 315.461 2.033 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)c1ccccc1CC[NH3+] ZINC000662886061 425755915 /nfs/dbraw/zinc/75/59/15/425755915.db2.gz ALOFSQNKQLPYNE-HNNXBMFYSA-N 1 3 303.450 2.038 20 0 DEADHO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@]1(F)CCNC1 ZINC000370764009 269082715 /nfs/dbraw/zinc/08/27/15/269082715.db2.gz SWDHEIXOMUPMKV-QGZVFWFLSA-N 1 3 323.412 2.047 20 0 DEADHO N[C@@H](CC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000370861076 269087309 /nfs/dbraw/zinc/08/73/09/269087309.db2.gz LJCXYUGXZHZGBZ-RDJZCZTQSA-N 1 3 301.434 2.210 20 0 DEADHO N[C@@H](CC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000370861076 269087311 /nfs/dbraw/zinc/08/73/11/269087311.db2.gz LJCXYUGXZHZGBZ-RDJZCZTQSA-N 1 3 301.434 2.210 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)CN1Cc1ccccc1 ZINC000398067219 269108236 /nfs/dbraw/zinc/10/82/36/269108236.db2.gz NZUQGGRWWUKNCP-AHCXZYCDSA-N 1 3 315.461 2.154 20 0 DEADHO CN(C)C[C@@H]1CC[N@H+](C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)C1 ZINC000495964415 269188706 /nfs/dbraw/zinc/18/87/06/269188706.db2.gz XTBCWBPAPXGMOL-MPGHIAIKSA-N 1 3 323.481 2.127 20 0 DEADHO CN(C)C[C@@H]1CC[N@@H+](C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)C1 ZINC000495964415 269188708 /nfs/dbraw/zinc/18/87/08/269188708.db2.gz XTBCWBPAPXGMOL-MPGHIAIKSA-N 1 3 323.481 2.127 20 0 DEADHO CCOC(=O)N1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000496220690 269205461 /nfs/dbraw/zinc/20/54/61/269205461.db2.gz ZMPJWFYSACQZQV-CAOSSQGBSA-N 1 3 309.454 2.118 20 0 DEADHO CN1CC[C@@]2(CC[N@H+](CC(C)(C)NC(=O)OC(C)(C)C)C2)C1 ZINC000496471546 269221358 /nfs/dbraw/zinc/22/13/58/269221358.db2.gz LWIVQAZUSNDRBN-QGZVFWFLSA-N 1 3 311.470 2.317 20 0 DEADHO CN1CC[C@@]2(CC[N@@H+](CC(C)(C)NC(=O)OC(C)(C)C)C2)C1 ZINC000496471546 269221360 /nfs/dbraw/zinc/22/13/60/269221360.db2.gz LWIVQAZUSNDRBN-QGZVFWFLSA-N 1 3 311.470 2.317 20 0 DEADHO C[C@@H]1CC[N@H+](CC2(CN)CC2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000497151912 269291466 /nfs/dbraw/zinc/29/14/66/269291466.db2.gz VBWXRADRVOCWDD-KGLIPLIRSA-N 1 3 311.470 2.208 20 0 DEADHO C[C@@H]1CC[N@@H+](CC2(CN)CC2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000497151912 269291468 /nfs/dbraw/zinc/29/14/68/269291468.db2.gz VBWXRADRVOCWDD-KGLIPLIRSA-N 1 3 311.470 2.208 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)N(C)C ZINC000511255168 269320653 /nfs/dbraw/zinc/32/06/53/269320653.db2.gz VJWUIUVJZNDXTA-UXLLHSPISA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)N(C)C ZINC000511255168 269320655 /nfs/dbraw/zinc/32/06/55/269320655.db2.gz VJWUIUVJZNDXTA-UXLLHSPISA-N 1 3 309.498 2.342 20 0 DEADHO C[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H]1CCCc2ccccc21 ZINC000514781966 269331426 /nfs/dbraw/zinc/33/14/26/269331426.db2.gz PZRHHFSGOPZEEG-YJBOKZPZSA-N 1 3 315.461 2.193 20 0 DEADHO C[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H]1CCCc2ccccc21 ZINC000514781966 269331427 /nfs/dbraw/zinc/33/14/27/269331427.db2.gz PZRHHFSGOPZEEG-YJBOKZPZSA-N 1 3 315.461 2.193 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@@H](NC[C@H](O)COCc2ccccc2F)C1 ZINC000515234306 269348067 /nfs/dbraw/zinc/34/80/67/269348067.db2.gz FKLGBSCFTREDNQ-ZACQAIPSSA-N 1 3 324.440 2.166 20 0 DEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COCc2ccccc2F)C1 ZINC000515234306 269348069 /nfs/dbraw/zinc/34/80/69/269348069.db2.gz FKLGBSCFTREDNQ-ZACQAIPSSA-N 1 3 324.440 2.166 20 0 DEADHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccc2[nH]cnc2c1 ZINC000515918761 269355019 /nfs/dbraw/zinc/35/50/19/269355019.db2.gz UQZOVOKDYYFAES-UHFFFAOYSA-N 1 3 315.465 2.021 20 0 DEADHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1ccc2[nH]cnc2c1 ZINC000515918761 269355021 /nfs/dbraw/zinc/35/50/21/269355021.db2.gz UQZOVOKDYYFAES-UHFFFAOYSA-N 1 3 315.465 2.021 20 0 DEADHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccc2nc[nH]c2c1 ZINC000515918761 269355022 /nfs/dbraw/zinc/35/50/22/269355022.db2.gz UQZOVOKDYYFAES-UHFFFAOYSA-N 1 3 315.465 2.021 20 0 DEADHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1ccc2nc[nH]c2c1 ZINC000515918761 269355023 /nfs/dbraw/zinc/35/50/23/269355023.db2.gz UQZOVOKDYYFAES-UHFFFAOYSA-N 1 3 315.465 2.021 20 0 DEADHO C[C@@H](CNC(=O)C[C@@H](N)Cc1ccccc1)C[NH+]1CCCCC1 ZINC000518972092 269407344 /nfs/dbraw/zinc/40/73/44/269407344.db2.gz LTWUCMGREPQHDP-WMZOPIPTSA-N 1 3 317.477 2.185 20 0 DEADHO C[NH+](C)CC1CCN([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000365244220 273794680 /nfs/dbraw/zinc/79/46/80/273794680.db2.gz SHXZFHVQJCGPGI-KRWDZBQOSA-N 1 3 301.434 2.214 20 0 DEADHO COc1cc(OC)cc(OCCC[NH2+][C@H]2CCC[C@@H]2CN)c1 ZINC000422931575 274098457 /nfs/dbraw/zinc/09/84/57/274098457.db2.gz XWFIKFKHUYHWEK-DYVFJYSZSA-N 1 3 308.422 2.190 20 0 DEADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCc1cn2c(n1)CCCC2 ZINC000422835211 274240247 /nfs/dbraw/zinc/24/02/47/274240247.db2.gz PBGNOSJFKLCYNQ-QAPCUYQASA-N 1 3 312.461 2.310 20 0 DEADHO C(C[NH2+]C1CCCCCC1)N[C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000423283424 275393661 /nfs/dbraw/zinc/39/36/61/275393661.db2.gz WCZMNMQBLTZBHQ-KURKYZTESA-N 1 3 309.498 2.046 20 0 DEADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NCC[C@H](C)[NH3+] ZINC000418041360 276016073 /nfs/dbraw/zinc/01/60/73/276016073.db2.gz XBIBZCDDTJZVIM-RDJZCZTQSA-N 1 3 320.481 2.180 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N(C)CC(C)(C)C[NH3+])cc1 ZINC000418353891 276057940 /nfs/dbraw/zinc/05/79/40/276057940.db2.gz NUOOWUFDZKMFMO-MRXNPFEDSA-N 1 3 320.481 2.436 20 0 DEADHO CCN(C(=O)N[C@@H](C)CC[NH3+])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418546293 276062707 /nfs/dbraw/zinc/06/27/07/276062707.db2.gz JJVWQONFSXYAKG-DOTOQJQBSA-N 1 3 318.465 2.030 20 0 DEADHO CC[C@H](N)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000166411280 276631231 /nfs/dbraw/zinc/63/12/31/276631231.db2.gz IQCOOOAQQRHNGP-KRWDZBQOSA-N 1 3 303.450 2.416 20 0 DEADHO CN1CC=C(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000450417070 277023252 /nfs/dbraw/zinc/02/32/52/277023252.db2.gz IQUHQYPEMVXFCF-KRWDZBQOSA-N 1 3 305.466 2.162 20 0 DEADHO CN1CC=C(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000450417070 277023253 /nfs/dbraw/zinc/02/32/53/277023253.db2.gz IQUHQYPEMVXFCF-KRWDZBQOSA-N 1 3 305.466 2.162 20 0 DEADHO C[NH2+]C[C@@H]1CCCN1C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000269197698 277276762 /nfs/dbraw/zinc/27/67/62/277276762.db2.gz SGOBIRGOPGRXMO-SFHVURJKSA-N 1 3 315.461 2.109 20 0 DEADHO CNC[C@H](C)C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000423278823 277282466 /nfs/dbraw/zinc/28/24/66/277282466.db2.gz RPXXHGKOHYDTSJ-VNSJNIRKSA-N 1 3 301.434 2.264 20 0 DEADHO CC(C)(CC[NH3+])NC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000422604484 277296271 /nfs/dbraw/zinc/29/62/71/277296271.db2.gz BZEPXEQRGYNXMX-INIZCTEOSA-N 1 3 314.433 2.266 20 0 DEADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415957525 278161620 /nfs/dbraw/zinc/16/16/20/278161620.db2.gz MMJXJGKQLPJEPM-CYBMUJFWSA-N 1 3 304.438 2.339 20 0 DEADHO C[C@H](CC(=O)N[C@@H](CN(C)C)c1ccccc1)C1CC[NH2+]CC1 ZINC000163870405 278163407 /nfs/dbraw/zinc/16/34/07/278163407.db2.gz FVDJERPVMVTYHT-QAPCUYQASA-N 1 3 317.477 2.431 20 0 DEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000355406115 278195567 /nfs/dbraw/zinc/19/55/67/278195567.db2.gz CVEYZGMXPNMYHB-JJTUDDRGSA-N 1 3 309.498 2.342 20 0 DEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000355406115 278195569 /nfs/dbraw/zinc/19/55/69/278195569.db2.gz CVEYZGMXPNMYHB-JJTUDDRGSA-N 1 3 309.498 2.342 20 0 DEADHO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420344028 278211524 /nfs/dbraw/zinc/21/15/24/278211524.db2.gz RSAUEBWSBCCJJC-ICUGJSFKSA-N 1 3 321.509 2.391 20 0 DEADHO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000494948380 278360538 /nfs/dbraw/zinc/36/05/38/278360538.db2.gz BPBIXSKIKAJNLC-GOEBONIOSA-N 1 3 323.481 2.483 20 0 DEADHO C[C@H]1CCN[C@@H](C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000423443642 278373806 /nfs/dbraw/zinc/37/38/06/278373806.db2.gz QNQOISYXCRLHQR-WMLDXEAASA-N 1 3 307.482 2.288 20 0 DEADHO CC(C)CN(C(=O)CN1CCC([C@@H]2CC[NH2+]C2)CC1)C(C)C ZINC000420323549 278807052 /nfs/dbraw/zinc/80/70/52/278807052.db2.gz YPDUAPMXPPPYTC-QGZVFWFLSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCCC[C@H]1C[NH3+] ZINC000418235086 278979003 /nfs/dbraw/zinc/97/90/03/278979003.db2.gz JYUQNZHADZOVRW-HOTGVXAUSA-N 1 3 310.486 2.020 20 0 DEADHO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)CN2[C@H](C)CC[C@@H]2C)C[C@@H](C)C1 ZINC000346230220 279007295 /nfs/dbraw/zinc/00/72/95/279007295.db2.gz MGHVYCGWFVISIE-DMRKSPOLSA-N 1 3 307.482 2.048 20 0 DEADHO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)CN2[C@H](C)CC[C@@H]2C)C[C@@H](C)C1 ZINC000346230220 279007296 /nfs/dbraw/zinc/00/72/96/279007296.db2.gz MGHVYCGWFVISIE-DMRKSPOLSA-N 1 3 307.482 2.048 20 0 DEADHO C[C@@]1(C(=O)NC2CCN(Cc3ccccc3)CC2)CCC[NH2+]C1 ZINC000237571772 279152978 /nfs/dbraw/zinc/15/29/78/279152978.db2.gz LXWHUTWZIORXPG-LJQANCHMSA-N 1 3 315.461 2.157 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000104134283 279266931 /nfs/dbraw/zinc/26/69/31/279266931.db2.gz ADMXHCXUDQVANE-SJORKVTESA-N 1 3 303.450 2.280 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000348636355 279280814 /nfs/dbraw/zinc/28/08/14/279280814.db2.gz ANUDLJQXKGPWJI-DLBZAZTESA-N 1 3 322.497 2.131 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000341029577 279311235 /nfs/dbraw/zinc/31/12/35/279311235.db2.gz YDLPFJPCQLVZEJ-JZXOWHBKSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)[N@H+](C)CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000352721951 279358005 /nfs/dbraw/zinc/35/80/05/279358005.db2.gz MXMWSUXVIPBIOA-RDJZCZTQSA-N 1 3 320.481 2.317 20 0 DEADHO CC(C)[N@@H+](C)CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000352721951 279358007 /nfs/dbraw/zinc/35/80/07/279358007.db2.gz MXMWSUXVIPBIOA-RDJZCZTQSA-N 1 3 320.481 2.317 20 0 DEADHO C[C@H]([NH3+])CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000417851398 279397997 /nfs/dbraw/zinc/39/79/97/279397997.db2.gz YMIOJUBDYXMHSD-ZOBUZTSGSA-N 1 3 318.465 2.076 20 0 DEADHO CCO[C@@H]1C[C@H](N[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C12CCCC2 ZINC000422804173 279877290 /nfs/dbraw/zinc/87/72/90/279877290.db2.gz KHXBFQODCDHKBC-HSFUPAIVSA-N 1 3 322.493 2.471 20 0 DEADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000289474850 280069867 /nfs/dbraw/zinc/06/98/67/280069867.db2.gz BFFSTGNCRRBOTE-ULQDDVLXSA-N 1 3 303.450 2.040 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CCCCC1 ZINC000449702542 280148860 /nfs/dbraw/zinc/14/88/60/280148860.db2.gz SGKFAPDBRTUUJA-OKZBNKHCSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N(C)C ZINC000126500914 280160825 /nfs/dbraw/zinc/16/08/25/280160825.db2.gz JUDGKIPEFNULMB-HYVNUMGLSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)N(C)C ZINC000126500914 280160826 /nfs/dbraw/zinc/16/08/26/280160826.db2.gz JUDGKIPEFNULMB-HYVNUMGLSA-N 1 3 307.482 2.048 20 0 DEADHO C[C@]1(c2ccccc2)CC[C@H](N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000414771662 280174091 /nfs/dbraw/zinc/17/40/91/280174091.db2.gz PZLGOIIUEKTERX-ZCNNSNEGSA-N 1 3 313.489 2.476 20 0 DEADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCC1([NH3+])CCC1)N(C)C ZINC000418176439 281362046 /nfs/dbraw/zinc/36/20/46/281362046.db2.gz GZGVCWYZOMHVQE-GOEBONIOSA-N 1 3 318.465 2.167 20 0 DEADHO C[C@H](C(=O)NC1CC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121786034 281762309 /nfs/dbraw/zinc/76/23/09/281762309.db2.gz MPACACCFDPVODV-OAHLLOKOSA-N 1 3 307.482 2.242 20 0 DEADHO C[NH+](C)C/C=C/C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000265594861 282018325 /nfs/dbraw/zinc/01/83/25/282018325.db2.gz BIPRNENSOPFLRS-YRYLYKBFSA-N 1 3 301.434 2.058 20 0 DEADHO C[NH+](C)CCN(C(=O)c1ccc2c(c1)CNC2)C1CCCC1 ZINC000262356689 289124699 /nfs/dbraw/zinc/12/46/99/289124699.db2.gz VVQJHHNINPCAOQ-UHFFFAOYSA-N 1 3 301.434 2.236 20 0 DEADHO C[C@H](C(=O)N1CCC(C)CC1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374161256 289261046 /nfs/dbraw/zinc/26/10/46/289261046.db2.gz LWTUXJIUHCXNFO-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(C)CC(=O)NCC1(C)CC[NH+](CC[C@@H](C)F)CC1 ZINC001423670083 1173479709 /nfs/dbraw/zinc/47/97/09/1173479709.db2.gz SHQJHXMPKHAHNI-OAHLLOKOSA-N 1 3 315.477 2.295 20 0 DEADHO C[C@H](C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000247481398 298076032 /nfs/dbraw/zinc/07/60/32/298076032.db2.gz UNKJPJLTJQULNJ-TWMKSMIVSA-N 1 3 307.482 2.192 20 0 DEADHO C[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)N1CCCCCC1 ZINC000247958980 298085803 /nfs/dbraw/zinc/08/58/03/298085803.db2.gz FYKSPJWSYHOFNO-IKGGRYGDSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)N1CCCCCC1 ZINC000247958980 298085808 /nfs/dbraw/zinc/08/58/08/298085808.db2.gz FYKSPJWSYHOFNO-IKGGRYGDSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCCCC[NH+]1CCCC1 ZINC000454679072 300233061 /nfs/dbraw/zinc/23/30/61/300233061.db2.gz URZSASHATDWNBQ-RDJZCZTQSA-N 1 3 322.497 2.034 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@]2(C)CCCC[NH2+]2)N(C)C)cc1 ZINC000237150396 301796862 /nfs/dbraw/zinc/79/68/62/301796862.db2.gz ILTKRVVEXXVFNR-WMZOPIPTSA-N 1 3 303.450 2.246 20 0 DEADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NC(C)(C)CC[NH3+])N(C)C ZINC000422623046 302138043 /nfs/dbraw/zinc/13/80/43/302138043.db2.gz UOYUCAKCIGXNJW-GDBMZVCRSA-N 1 3 320.481 2.413 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@@H]1CCC[NH2+]C1)N(C)C ZINC000418162734 302201446 /nfs/dbraw/zinc/20/14/46/302201446.db2.gz CWNGARLUOVXXOG-INMHGKMJSA-N 1 3 318.465 2.037 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H](C[NH3+])C1CC1)N(C)C ZINC000418176016 302206042 /nfs/dbraw/zinc/20/60/42/302206042.db2.gz GQJOQBNXGKAZGI-XKQJLSEDSA-N 1 3 318.465 2.023 20 0 DEADHO Cc1ccccc1[C@H]1CCC[N@@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414677076 302218110 /nfs/dbraw/zinc/21/81/10/302218110.db2.gz OGPMQQSOCOUYRX-SJLPKXTDSA-N 1 3 315.461 2.329 20 0 DEADHO Cc1ccccc1[C@H]1CCC[N@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414677076 302218111 /nfs/dbraw/zinc/21/81/11/302218111.db2.gz OGPMQQSOCOUYRX-SJLPKXTDSA-N 1 3 315.461 2.329 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000422732970 302589316 /nfs/dbraw/zinc/58/93/16/302589316.db2.gz AOUJAGPTWMTFTD-AEGPPILISA-N 1 3 318.465 2.146 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)NCCC[NH2+]C1CCCCC1 ZINC001349330518 1151241834 /nfs/dbraw/zinc/24/18/34/1151241834.db2.gz ORKQIQGRXKJKSP-MRXNPFEDSA-N 1 3 310.486 2.082 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@H](O)Cc2ccc(F)cc2)C1 ZINC000574032695 326116390 /nfs/dbraw/zinc/11/63/90/326116390.db2.gz PPDGYCLBDUPTHR-SJLPKXTDSA-N 1 3 308.441 2.439 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC[C@H](O)Cc2ccc(F)cc2)C1 ZINC000574032695 326116393 /nfs/dbraw/zinc/11/63/93/326116393.db2.gz PPDGYCLBDUPTHR-SJLPKXTDSA-N 1 3 308.441 2.439 20 0 DEADHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000574032695 326116394 /nfs/dbraw/zinc/11/63/94/326116394.db2.gz PPDGYCLBDUPTHR-SJLPKXTDSA-N 1 3 308.441 2.439 20 0 DEADHO C[C@@H](CNC[C@@H](O)COCc1ccccc1)C[NH+]1CCCCC1 ZINC000575377378 326237113 /nfs/dbraw/zinc/23/71/13/326237113.db2.gz NEQAPHKCXXQXKV-PKOBYXMFSA-N 1 3 320.477 2.276 20 0 DEADHO C[C@@H](C[NH2+]C[C@@H](O)COCc1ccccc1)CN1CCCCC1 ZINC000575377378 326237114 /nfs/dbraw/zinc/23/71/14/326237114.db2.gz NEQAPHKCXXQXKV-PKOBYXMFSA-N 1 3 320.477 2.276 20 0 DEADHO C[C@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)N(C)C1CC1 ZINC000576238824 326279769 /nfs/dbraw/zinc/27/97/69/326279769.db2.gz JUDSNVGGWJSKMJ-CQSZACIVSA-N 1 3 303.450 2.003 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H](CO)Cc2c(F)cccc2Cl)C1 ZINC000583332292 331482495 /nfs/dbraw/zinc/48/24/95/331482495.db2.gz BOTBFTXWMAOZHV-XQQFMLRXSA-N 1 3 314.832 2.490 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H](C)C3CC3)CC2)CC1 ZINC000580343346 335116242 /nfs/dbraw/zinc/11/62/42/335116242.db2.gz MBCHRCADYFREHG-HNNXBMFYSA-N 1 3 321.509 2.440 20 0 DEADHO COc1cc2c(cc1C[NH2+]C[C@@H]1CCCN(C)C1)O[C@H](C)C2 ZINC000378881863 333060299 /nfs/dbraw/zinc/06/02/99/333060299.db2.gz HNAGTGMNHBWOFQ-KGLIPLIRSA-N 1 3 304.434 2.450 20 0 DEADHO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)[C@H]1CCCCCN1 ZINC000582231058 336285119 /nfs/dbraw/zinc/28/51/19/336285119.db2.gz FEQJBKQYBAIXQQ-GFCCVEGCSA-N 1 3 308.451 2.081 20 0 DEADHO N[C@H]1CCC[C@H]([NH2+]CCCOCCOCc2ccccc2)C1 ZINC000390673332 336945506 /nfs/dbraw/zinc/94/55/06/336945506.db2.gz UHVVSOJKYNUJLY-ROUUACIJSA-N 1 3 306.450 2.469 20 0 DEADHO Cc1cc(CN)cc(NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)c1 ZINC000583687888 336951056 /nfs/dbraw/zinc/95/10/56/336951056.db2.gz KOVYVQZURQRFRG-LJQANCHMSA-N 1 3 309.413 2.324 20 0 DEADHO C[NH+](C)C1(CNC(=O)C[C@@H](N)Cc2ccccc2)CCCCC1 ZINC000582605042 337112718 /nfs/dbraw/zinc/11/27/18/337112718.db2.gz VHVFXSPOUBCLDZ-KRWDZBQOSA-N 1 3 317.477 2.327 20 0 DEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000582719668 337124906 /nfs/dbraw/zinc/12/49/06/337124906.db2.gz BCBQDQAJJVFYLN-XGUBFFRZSA-N 1 3 320.437 2.274 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](CNC[C@H](O)COCc2ccccc2)C1 ZINC000583747778 337328724 /nfs/dbraw/zinc/32/87/24/337328724.db2.gz DDFCKSMGDPKXCA-OALUTQOASA-N 1 3 320.477 2.132 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](CNC[C@H](O)COCc2ccccc2)C1 ZINC000583747778 337328725 /nfs/dbraw/zinc/32/87/25/337328725.db2.gz DDFCKSMGDPKXCA-OALUTQOASA-N 1 3 320.477 2.132 20 0 DEADHO CC1=CCC[C@@H](C)[C@H]1C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000191058877 337398832 /nfs/dbraw/zinc/39/88/32/337398832.db2.gz RBZTVMLOVFOBNB-AEFFLSMTSA-N 1 3 321.509 2.369 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[N@H+](C)C/C=C/Cl)C1 ZINC001376287366 1159316704 /nfs/dbraw/zinc/31/67/04/1159316704.db2.gz DZIOAOGFZDBNMH-VFADXPBXSA-N 1 3 315.889 2.250 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[N@@H+](C)C/C=C/Cl)C1 ZINC001376287366 1159316712 /nfs/dbraw/zinc/31/67/12/1159316712.db2.gz DZIOAOGFZDBNMH-VFADXPBXSA-N 1 3 315.889 2.250 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001376808611 1159808501 /nfs/dbraw/zinc/80/85/01/1159808501.db2.gz HFZQRVGDWZPQQC-DOMZBBRYSA-N 1 3 311.857 2.275 20 0 DEADHO Cc1cccc(CN2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C)c1 ZINC001089037378 782129616 /nfs/dbraw/zinc/12/96/16/782129616.db2.gz BYAOHNHJNQRRRD-NJAFHUGGSA-N 1 3 315.461 2.026 20 0 DEADHO Cc1cccc(CN2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C)c1 ZINC001089037378 782129629 /nfs/dbraw/zinc/12/96/29/782129629.db2.gz BYAOHNHJNQRRRD-NJAFHUGGSA-N 1 3 315.461 2.026 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@]1(C[NH2+]C(C)C)CCCC[C@H]1C ZINC001378418295 1152322399 /nfs/dbraw/zinc/32/23/99/1152322399.db2.gz DGDPOSJCFDANLV-DYVFJYSZSA-N 1 3 306.454 2.324 20 0 DEADHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1C[NH+](CC[C@H](C)F)C1 ZINC001378536052 1152366532 /nfs/dbraw/zinc/36/65/32/1152366532.db2.gz FTUGXDYXNIZJLB-UONOGXRCSA-N 1 3 315.477 2.149 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001378580205 1152383200 /nfs/dbraw/zinc/38/32/00/1152383200.db2.gz OLMFZNSQYJWJHH-SUMWQHHRSA-N 1 3 323.456 2.316 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C1C[NH+](CC2=CCCCC2)C1 ZINC001330072790 1149045288 /nfs/dbraw/zinc/04/52/88/1149045288.db2.gz XOEPXUDCACEQNL-OAHLLOKOSA-N 1 3 307.482 2.265 20 0 DEADHO COc1cc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)ccc1C ZINC000422787158 533769400 /nfs/dbraw/zinc/76/94/00/533769400.db2.gz RBXLSJPQOBQUDP-RCCFBDPRSA-N 1 3 318.461 2.293 20 0 DEADHO C[C@H](NC1CCN(C(=O)c2ccco2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422820362 533807316 /nfs/dbraw/zinc/80/73/16/533807316.db2.gz QFCCAFDKHBEPJX-DZGCQCFKSA-N 1 3 305.422 2.004 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](N)c1ccccc1 ZINC000417321055 533827412 /nfs/dbraw/zinc/82/74/12/533827412.db2.gz BBUWXMOCTBSREH-HLLBOEOZSA-N 1 3 318.465 2.106 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](N)c1ccccc1 ZINC000417321055 533827423 /nfs/dbraw/zinc/82/74/23/533827423.db2.gz BBUWXMOCTBSREH-HLLBOEOZSA-N 1 3 318.465 2.106 20 0 DEADHO Cc1cccc(C)c1C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001378800602 1152450051 /nfs/dbraw/zinc/45/00/51/1152450051.db2.gz FEVIIJWBNKWYKA-FUHWJXTLSA-N 1 3 317.477 2.334 20 0 DEADHO C[C@H](NC[C@@H](CO)Cc1ccccc1C(F)(F)F)C1C[NH2+]C1 ZINC000422994215 533880041 /nfs/dbraw/zinc/88/00/41/533880041.db2.gz UXFXUPJPMXMOLD-RYUDHWBXSA-N 1 3 316.367 2.054 20 0 DEADHO C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F)C1CNC1 ZINC000422994215 533880049 /nfs/dbraw/zinc/88/00/49/533880049.db2.gz UXFXUPJPMXMOLD-RYUDHWBXSA-N 1 3 316.367 2.054 20 0 DEADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H](C)CCCC[NH3+])o1 ZINC000418697314 533883535 /nfs/dbraw/zinc/88/35/35/533883535.db2.gz NHBMAFNLRIQGBO-AWEZNQCLSA-N 1 3 324.469 2.179 20 0 DEADHO C[C@@H](CNC(=O)N[C@@H](CN)c1ccc2ccccc2c1)[NH+](C)C ZINC000418269163 533977715 /nfs/dbraw/zinc/97/77/15/533977715.db2.gz XXHVCEUPWLOCBU-GUYCJALGSA-N 1 3 314.433 2.089 20 0 DEADHO C[C@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1cccc(OCCN(C)C)c1 ZINC000296653926 534011667 /nfs/dbraw/zinc/01/16/67/534011667.db2.gz ZDIHFAZNNWVTDL-UXLLHSPISA-N 1 3 306.450 2.439 20 0 DEADHO C[C@@H]([NH3+])C1CCN([C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000430932344 534289310 /nfs/dbraw/zinc/28/93/10/534289310.db2.gz FEGLJQZSEMOTNQ-RHSMWYFYSA-N 1 3 301.434 2.241 20 0 DEADHO C[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000269243689 518178077 /nfs/dbraw/zinc/17/80/77/518178077.db2.gz YCRVWLVUANGDDH-QAPCUYQASA-N 1 3 315.461 2.400 20 0 DEADHO CC[NH+](CC)CC1CCN([C@H]2CCCN(C(C)C)C2=O)CC1 ZINC000336855613 520587999 /nfs/dbraw/zinc/58/79/99/520587999.db2.gz IQXONOWRQMIGSL-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](F)CN(CC)CC)C1 ZINC001402083378 1162240300 /nfs/dbraw/zinc/24/03/00/1162240300.db2.gz SOEJIPHCYTYAPO-HUUCEWRRSA-N 1 3 301.450 2.047 20 0 DEADHO CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H](F)CN(CC)CC)C1 ZINC001402083378 1162240304 /nfs/dbraw/zinc/24/03/04/1162240304.db2.gz SOEJIPHCYTYAPO-HUUCEWRRSA-N 1 3 301.450 2.047 20 0 DEADHO Clc1ccccc1CN1CCN(CC2CC[NH2+]CC2)CC1 ZINC000297585204 534649800 /nfs/dbraw/zinc/64/98/00/534649800.db2.gz YVSSHMMPDCYVCO-UHFFFAOYSA-N 1 3 307.869 2.457 20 0 DEADHO N[C@@H]1CCC[C@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000422933621 534715822 /nfs/dbraw/zinc/71/58/22/534715822.db2.gz BNQQRIANZBNZHO-RTBURBONSA-N 1 3 316.493 2.058 20 0 DEADHO C[C@H](F)CC[N@H+](C)CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001378925042 1152492923 /nfs/dbraw/zinc/49/29/23/1152492923.db2.gz YGSUSXPXUSIOOR-AWEZNQCLSA-N 1 3 324.444 2.261 20 0 DEADHO C[C@H](F)CC[N@@H+](C)CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001378925042 1152492933 /nfs/dbraw/zinc/49/29/33/1152492933.db2.gz YGSUSXPXUSIOOR-AWEZNQCLSA-N 1 3 324.444 2.261 20 0 DEADHO C[C@H](CNC(=O)N(C)C[C@H]1CCCN(C)C1)C[NH+]1CCCCC1 ZINC000115805756 524394130 /nfs/dbraw/zinc/39/41/30/524394130.db2.gz YDAWPHKPIDWPKE-SJORKVTESA-N 1 3 324.513 2.092 20 0 DEADHO C[C@@H](CCc1c(F)cccc1F)[NH2+]CCOCCN(C)C ZINC000338008360 524521376 /nfs/dbraw/zinc/52/13/76/524521376.db2.gz JTBUAJIPUWTMQA-ZDUSSCGKSA-N 1 3 300.393 2.454 20 0 DEADHO C[C@@H](CCc1c(F)cccc1F)NC[C@H](O)C[NH+]1CCCC1 ZINC000337984791 524521789 /nfs/dbraw/zinc/52/17/89/524521789.db2.gz AZFVIXRNWMQLSA-KBPBESRZSA-N 1 3 312.404 2.332 20 0 DEADHO C[C@@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)N(C)C1CC1 ZINC000105166779 524674183 /nfs/dbraw/zinc/67/41/83/524674183.db2.gz INBNBVXVJLAIGT-ZDUSSCGKSA-N 1 3 310.486 2.031 20 0 DEADHO Cc1ccccc1C[C@H](C)NC(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000443062948 534817046 /nfs/dbraw/zinc/81/70/46/534817046.db2.gz YFAKBVIRIGNAOZ-IRXDYDNUSA-N 1 3 317.477 2.103 20 0 DEADHO C[C@](C[NH3+])(NC(=O)c1cccc(CN2CCCC2)c1)C1CC1 ZINC000237620612 525140160 /nfs/dbraw/zinc/14/01/60/525140160.db2.gz ZCUJRWBBEQXAOS-GOSISDBHSA-N 1 3 301.434 2.140 20 0 DEADHO C[C@H]([NH2+]CCn1ccnc1)c1cccc(OCCN(C)C)c1 ZINC000155673315 525374518 /nfs/dbraw/zinc/37/45/18/525374518.db2.gz QILDATKSXNRBLG-HNNXBMFYSA-N 1 3 302.422 2.174 20 0 DEADHO Cc1nc([C@@H]2CCC[N@H+](CCCCn3ccnc3C)C2)n[nH]1 ZINC000336855061 527045647 /nfs/dbraw/zinc/04/56/47/527045647.db2.gz GMSQLECPVIIATM-OAHLLOKOSA-N 1 3 302.426 2.278 20 0 DEADHO Cc1nc([C@@H]2CCC[N@@H+](CCCCn3ccnc3C)C2)n[nH]1 ZINC000336855061 527045652 /nfs/dbraw/zinc/04/56/52/527045652.db2.gz GMSQLECPVIIATM-OAHLLOKOSA-N 1 3 302.426 2.278 20 0 DEADHO CCN(CC)C(=O)CCCN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422954735 528010295 /nfs/dbraw/zinc/01/02/95/528010295.db2.gz IECOQGCVEKEGBQ-RDJZCZTQSA-N 1 3 305.466 2.183 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)N[C@H](C)CCC[NH3+])cc1 ZINC000418346921 528133973 /nfs/dbraw/zinc/13/39/73/528133973.db2.gz IFNCWDDCWBDHJT-CJNGLKHVSA-N 1 3 306.454 2.236 20 0 DEADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000448031607 528284662 /nfs/dbraw/zinc/28/46/62/528284662.db2.gz RDPPJWASVFKDOJ-HOTGVXAUSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000418413456 528298854 /nfs/dbraw/zinc/29/88/54/528298854.db2.gz JSSDBNAZYWZTGA-CGZBRXJRSA-N 1 3 324.513 2.266 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418241435 528315049 /nfs/dbraw/zinc/31/50/49/528315049.db2.gz TTYSXZFHIYHESJ-JYJNAYRXSA-N 1 3 310.486 2.066 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000294969116 528554444 /nfs/dbraw/zinc/55/44/44/528554444.db2.gz GIKNHROWYCBJFB-NVXWUHKLSA-N 1 3 303.450 2.155 20 0 DEADHO CCC(CC)[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)N1CCOCC1 ZINC000422815044 528855406 /nfs/dbraw/zinc/85/54/06/528855406.db2.gz APKGCYGGLHVOOY-NXHRZFHOSA-N 1 3 311.514 2.101 20 0 DEADHO CCC([NH3+])(CC)CNC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000418433007 528929697 /nfs/dbraw/zinc/92/96/97/528929697.db2.gz BLFIOROOBJLVOQ-UHFFFAOYSA-N 1 3 324.513 2.410 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN[C@@H](c2ccccc2)C2CC2)CC1 ZINC000442534526 528980066 /nfs/dbraw/zinc/98/00/66/528980066.db2.gz ZSQVFZRCYRVDBD-IBGZPJMESA-N 1 3 315.461 2.328 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)NCC[C@H]1CCC[NH2+]1)c1ccco1 ZINC000418161393 529181957 /nfs/dbraw/zinc/18/19/57/529181957.db2.gz FDOULWYOOQXUQR-ZNMIVQPWSA-N 1 3 322.453 2.150 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000417694008 529200666 /nfs/dbraw/zinc/20/06/66/529200666.db2.gz CICKKIMCLDZEDI-CVEARBPZSA-N 1 3 310.486 2.082 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000417698426 529272400 /nfs/dbraw/zinc/27/24/00/529272400.db2.gz JABMIBRONPZZCR-MRXNPFEDSA-N 1 3 322.497 2.036 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000417709923 529272731 /nfs/dbraw/zinc/27/27/31/529272731.db2.gz WXIPPBKZQLCBNJ-XHSDSOJGSA-N 1 3 310.486 2.020 20 0 DEADHO CCCNC(=O)CCN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340193313 535050393 /nfs/dbraw/zinc/05/03/93/535050393.db2.gz YSLKBYWHSQRUGM-DLBZAZTESA-N 1 3 303.450 2.328 20 0 DEADHO CCCNC(=O)CCN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340193313 535050396 /nfs/dbraw/zinc/05/03/96/535050396.db2.gz YSLKBYWHSQRUGM-DLBZAZTESA-N 1 3 303.450 2.328 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000357917191 535243894 /nfs/dbraw/zinc/24/38/94/535243894.db2.gz KWQBHSUNKDKPFK-GJZGRUSLSA-N 1 3 310.486 2.056 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000357917191 535243899 /nfs/dbraw/zinc/24/38/99/535243899.db2.gz KWQBHSUNKDKPFK-GJZGRUSLSA-N 1 3 310.486 2.056 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC[C@@H](O)COC(C)C ZINC000348321089 535580219 /nfs/dbraw/zinc/58/02/19/535580219.db2.gz RXLRKHWFFSXXEB-GVDBMIGSSA-N 1 3 300.487 2.263 20 0 DEADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COC(C)C ZINC000348321089 535580223 /nfs/dbraw/zinc/58/02/23/535580223.db2.gz RXLRKHWFFSXXEB-GVDBMIGSSA-N 1 3 300.487 2.263 20 0 DEADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cn(C(C)C)nc2C)CC1 ZINC000361890081 535716612 /nfs/dbraw/zinc/71/66/12/535716612.db2.gz SOCAPSISXCCWLV-MRXNPFEDSA-N 1 3 321.513 2.136 20 0 DEADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cc(F)cc(OC)c2)CC1 ZINC000449132151 535716679 /nfs/dbraw/zinc/71/66/79/535716679.db2.gz SFTVGFIWSSLDFU-OAHLLOKOSA-N 1 3 323.456 2.198 20 0 DEADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccncc2F)CC1 ZINC000340231101 535718759 /nfs/dbraw/zinc/71/87/59/535718759.db2.gz JUSBMKZQFMFYGE-HUUCEWRRSA-N 1 3 308.445 2.145 20 0 DEADHO CCC[C@H]1C[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000360148983 535748563 /nfs/dbraw/zinc/74/85/63/535748563.db2.gz GXTHKCPGNRJUIG-WMLDXEAASA-N 1 3 307.482 2.097 20 0 DEADHO CN(C(=O)C(C)(C)C[NH3+])C1CCN(Cc2ccccc2)CC1 ZINC000261550201 535953740 /nfs/dbraw/zinc/95/37/40/535953740.db2.gz PJVJQEZRCUEBHH-UHFFFAOYSA-N 1 3 303.450 2.094 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000355814267 536023119 /nfs/dbraw/zinc/02/31/19/536023119.db2.gz TVIOROLMYDHCOY-SFHVURJKSA-N 1 3 315.461 2.449 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)N(CC)CC ZINC000261627656 536090497 /nfs/dbraw/zinc/09/04/97/536090497.db2.gz DPJRLUJNPFLVSN-GVDBMIGSSA-N 1 3 303.450 2.060 20 0 DEADHO CO[C@@H]1CCN(C/C=C/C[N@@H+]2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000451580084 536678588 /nfs/dbraw/zinc/67/85/88/536678588.db2.gz ZKWOVIOIXZFXLL-ONQYKWIUSA-N 1 3 310.482 2.256 20 0 DEADHO CO[C@@H]1CCN(C/C=C/C[N@H+]2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000451580084 536678593 /nfs/dbraw/zinc/67/85/93/536678593.db2.gz ZKWOVIOIXZFXLL-ONQYKWIUSA-N 1 3 310.482 2.256 20 0 DEADHO CO[C@@H]1CC[N@@H+](C/C=C/CN2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000451580084 536678597 /nfs/dbraw/zinc/67/85/97/536678597.db2.gz ZKWOVIOIXZFXLL-ONQYKWIUSA-N 1 3 310.482 2.256 20 0 DEADHO CO[C@@H]1CC[N@H+](C/C=C/CN2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000451580084 536678602 /nfs/dbraw/zinc/67/86/02/536678602.db2.gz ZKWOVIOIXZFXLL-ONQYKWIUSA-N 1 3 310.482 2.256 20 0 DEADHO C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820404347 607089421 /nfs/dbraw/zinc/08/94/21/607089421.db2.gz SQTKEHLEWPKNOE-QWHCGFSZSA-N 1 3 314.437 2.248 20 0 DEADHO C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820404347 607089422 /nfs/dbraw/zinc/08/94/22/607089422.db2.gz SQTKEHLEWPKNOE-QWHCGFSZSA-N 1 3 314.437 2.248 20 0 DEADHO CCCN(C)CC(=O)NCC1(C)CC[NH+](C[C@H](F)CC)CC1 ZINC001380453662 1152814631 /nfs/dbraw/zinc/81/46/31/1152814631.db2.gz FXJJASKMZRGQAM-OAHLLOKOSA-N 1 3 315.477 2.295 20 0 DEADHO CCCCN1CCC([NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000892687692 625380894 /nfs/dbraw/zinc/38/08/94/625380894.db2.gz QTGYKOPPYOEELU-HZPDHXFCSA-N 1 3 314.445 2.474 20 0 DEADHO CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]21 ZINC001026425057 625449383 /nfs/dbraw/zinc/44/93/83/625449383.db2.gz BEYOJDIAONAHQP-RCCFBDPRSA-N 1 3 315.461 2.208 20 0 DEADHO CC(C)[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001023987546 625514474 /nfs/dbraw/zinc/51/44/74/625514474.db2.gz UMJICKDCIVGNCF-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)cs1 ZINC001020586272 622926115 /nfs/dbraw/zinc/92/61/15/622926115.db2.gz JQWRYTOYXANAFQ-RCBQFDQVSA-N 1 3 321.490 2.278 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC000969949243 623015932 /nfs/dbraw/zinc/01/59/32/623015932.db2.gz PDZZBKYAVKYYRV-NVXWUHKLSA-N 1 3 319.493 2.242 20 0 DEADHO Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC000969954147 623017468 /nfs/dbraw/zinc/01/74/68/623017468.db2.gz AGVNFXHNVYZFPO-FUHWJXTLSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)cs1 ZINC000969952343 623019420 /nfs/dbraw/zinc/01/94/20/623019420.db2.gz VGDAEFNDQZIZTD-CZUORRHYSA-N 1 3 321.490 2.231 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C1)N(C)C ZINC000969985414 623038078 /nfs/dbraw/zinc/03/80/78/623038078.db2.gz HFJKBKJFLSDXOJ-XKQJLSEDSA-N 1 3 321.440 2.417 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000970103625 623122655 /nfs/dbraw/zinc/12/26/55/623122655.db2.gz QUZTYEYYLAWQEF-OAHLLOKOSA-N 1 3 304.438 2.113 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000892434399 625637954 /nfs/dbraw/zinc/63/79/54/625637954.db2.gz MQNMLVFFHSQDNC-SHTZXODSSA-N 1 3 310.486 2.020 20 0 DEADHO CCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC000970529876 623523478 /nfs/dbraw/zinc/52/34/78/623523478.db2.gz UTXXDQLZJLUSNS-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO CCC[NH+]1CC([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000970916566 623789287 /nfs/dbraw/zinc/78/92/87/623789287.db2.gz LDIPFONMNHGDEP-AWEZNQCLSA-N 1 3 303.450 2.208 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CC2CC3(CCC3)C2)C1 ZINC000971202593 624068649 /nfs/dbraw/zinc/06/86/49/624068649.db2.gz ZCTNTAHJHBLVIT-IAGOWNOFSA-N 1 3 319.493 2.194 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC2CC3(CCC3)C2)C1 ZINC000971202593 624068650 /nfs/dbraw/zinc/06/86/50/624068650.db2.gz ZCTNTAHJHBLVIT-IAGOWNOFSA-N 1 3 319.493 2.194 20 0 DEADHO CC[NH+](CC)CCOCCN[C@H](C)c1cccc2c1OCO2 ZINC000926150355 624141785 /nfs/dbraw/zinc/14/17/85/624141785.db2.gz KJFHIEZZGQYXFV-CQSZACIVSA-N 1 3 308.422 2.424 20 0 DEADHO CC(C)C[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000971540228 624184561 /nfs/dbraw/zinc/18/45/61/624184561.db2.gz RBOJRENWFCVFJN-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000971540228 624184565 /nfs/dbraw/zinc/18/45/65/624184565.db2.gz RBOJRENWFCVFJN-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCC2CCCC2)C1)C1CC1 ZINC000971679834 624501891 /nfs/dbraw/zinc/50/18/91/624501891.db2.gz VMYRCNRZLDARIE-ZWKOTPCHSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCC2CCCC2)C1)C1CC1 ZINC000971679834 624501893 /nfs/dbraw/zinc/50/18/93/624501893.db2.gz VMYRCNRZLDARIE-ZWKOTPCHSA-N 1 3 321.509 2.440 20 0 DEADHO C[NH+](C)CCOC1CCN(Cc2cccc3c2OCC3)CC1 ZINC000892005849 624738978 /nfs/dbraw/zinc/73/89/78/624738978.db2.gz YWGIWIZFXSFROY-UHFFFAOYSA-N 1 3 304.434 2.164 20 0 DEADHO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@H]2C)C1)c1ccccc1 ZINC001022711600 624863854 /nfs/dbraw/zinc/86/38/54/624863854.db2.gz BZNGZRULYHEAEQ-AHCXZYCDSA-N 1 3 315.461 2.469 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001022715173 624868247 /nfs/dbraw/zinc/86/82/47/624868247.db2.gz DJGZDWBQZRISHN-OIISXLGYSA-N 1 3 305.466 2.065 20 0 DEADHO C[N@H+](CCC1CC1)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972339533 624934259 /nfs/dbraw/zinc/93/42/59/624934259.db2.gz MXYCRWLIDFFLRB-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO C[N@@H+](CCC1CC1)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972339533 624934262 /nfs/dbraw/zinc/93/42/62/624934262.db2.gz MXYCRWLIDFFLRB-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CCCN(C)C1 ZINC000893065904 625088355 /nfs/dbraw/zinc/08/83/55/625088355.db2.gz PUBLSEPXNMTHOI-GJZGRUSLSA-N 1 3 312.502 2.088 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001023024895 625138785 /nfs/dbraw/zinc/13/87/85/625138785.db2.gz KUUZQTXIZUNRFN-IYBDPMFKSA-N 1 3 312.417 2.006 20 0 DEADHO C(C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)COC[C@@H]1CCCO1 ZINC000925522483 625187176 /nfs/dbraw/zinc/18/71/76/625187176.db2.gz ZWERWIMWZZUWJM-RCCFBDPRSA-N 1 3 310.482 2.330 20 0 DEADHO CC(C)[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001026268479 625241171 /nfs/dbraw/zinc/24/11/71/625241171.db2.gz ZWRRFRZFQMDYFY-YESZJQIVSA-N 1 3 321.509 2.486 20 0 DEADHO C[C@@H]1[C@H](N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CCN1Cc1ccccc1 ZINC000328509570 625780541 /nfs/dbraw/zinc/78/05/41/625780541.db2.gz ANTLORDWEKYISN-YHJVUZTQSA-N 1 3 311.473 2.235 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCC2CC2)C1 ZINC000999144765 634493533 /nfs/dbraw/zinc/49/35/33/634493533.db2.gz NSONVIFMIPDRSM-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO CN(C)Cc1cccc(C(=O)N(C)C2CC([NH2+]CC3CC3)C2)c1 ZINC000999871055 634696751 /nfs/dbraw/zinc/69/67/51/634696751.db2.gz SQZNLKOFKQGOJP-UHFFFAOYSA-N 1 3 315.461 2.351 20 0 DEADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]([NH2+]CC3CCCC3)C2)C1 ZINC001000200092 634785608 /nfs/dbraw/zinc/78/56/08/634785608.db2.gz OXYMRGFFUNQXRJ-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CN1CCC([N@@H+]2CC[C@H](NCc3nc(C(C)(C)C)co3)C2)CC1 ZINC000921733780 634814017 /nfs/dbraw/zinc/81/40/17/634814017.db2.gz QBECCRHMWIPHGB-AWEZNQCLSA-N 1 3 320.481 2.230 20 0 DEADHO CN1CCC([N@H+]2CC[C@H](NCc3nc(C(C)(C)C)co3)C2)CC1 ZINC000921733780 634814020 /nfs/dbraw/zinc/81/40/20/634814020.db2.gz QBECCRHMWIPHGB-AWEZNQCLSA-N 1 3 320.481 2.230 20 0 DEADHO C[NH+](C)Cc1ccccc1C(=O)N1C[C@@H](NCCF)C(C)(C)C1 ZINC000996671735 633345161 /nfs/dbraw/zinc/34/51/61/633345161.db2.gz MNBOLHVYPRQLMW-MRXNPFEDSA-N 1 3 321.440 2.158 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]([NH2+]CCF)C(C)(C)C1 ZINC000996671735 633345163 /nfs/dbraw/zinc/34/51/63/633345163.db2.gz MNBOLHVYPRQLMW-MRXNPFEDSA-N 1 3 321.440 2.158 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]CC2CC(C)(C)C2)CC1)C1CC1 ZINC000996680864 633348755 /nfs/dbraw/zinc/34/87/55/633348755.db2.gz VXQHUSCAJCXRTE-QGZVFWFLSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccsc2)C1)N(C)C ZINC001027044967 633370452 /nfs/dbraw/zinc/37/04/52/633370452.db2.gz JCRGRMGFMFZQFE-GDBMZVCRSA-N 1 3 323.506 2.272 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(C)cc2)C1)N(C)C ZINC001027069328 633383900 /nfs/dbraw/zinc/38/39/00/633383900.db2.gz QMIJPCRAEWHDCZ-MSOLQXFVSA-N 1 3 317.477 2.273 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]CC3=CCCCC3)C2)C1 ZINC001027065049 633386274 /nfs/dbraw/zinc/38/62/74/633386274.db2.gz PPSZETPFFLSHLE-AEFFLSMTSA-N 1 3 319.493 2.267 20 0 DEADHO CC1CCC(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)CC1 ZINC001027217030 633500140 /nfs/dbraw/zinc/50/01/40/633500140.db2.gz FBHKJUSXAGVCBX-ABHNRTSZSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC000997000453 633558152 /nfs/dbraw/zinc/55/81/52/633558152.db2.gz QCUIBIXZICXOFS-OAHLLOKOSA-N 1 3 321.509 2.488 20 0 DEADHO CC1(C)C[C@@H](NC[C@@H](n2cccn2)C(F)(F)F)C[C@@H]([NH3+])C1 ZINC000925724524 633694502 /nfs/dbraw/zinc/69/45/02/633694502.db2.gz ZLDNJDMNXXOLDU-GRYCIOLGSA-N 1 3 304.360 2.482 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@@H]([N@H+](C)CC3CCC3)C2)CCC1 ZINC001027441044 633790734 /nfs/dbraw/zinc/79/07/34/633790734.db2.gz QTRYXRKEKDTSPU-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@@H]([N@@H+](C)CC3CCC3)C2)CCC1 ZINC001027441044 633790742 /nfs/dbraw/zinc/79/07/42/633790742.db2.gz QTRYXRKEKDTSPU-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO CCOC(=O)c1ncc(CNCC2(C)CC[NH+](C)CC2)s1 ZINC000893468901 633804274 /nfs/dbraw/zinc/80/42/74/633804274.db2.gz SLHJEGHLDXNBBJ-UHFFFAOYSA-N 1 3 311.451 2.141 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CC2CCCCC2)CC1 ZINC000997611034 633899406 /nfs/dbraw/zinc/89/94/06/633899406.db2.gz CGGVVSJRYKRSNI-GOSISDBHSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@H](C(=O)N1CCC(C[NH2+]Cc2ccsc2)CC1)N(C)C ZINC000997857045 634010576 /nfs/dbraw/zinc/01/05/76/634010576.db2.gz VGJZOCMCSXYMFV-MRXNPFEDSA-N 1 3 323.506 2.417 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3nc[nH]c3C)C[C@H]2C1 ZINC000980229131 634906740 /nfs/dbraw/zinc/90/67/40/634906740.db2.gz IQHFPNHYYWAKCA-JYJNAYRXSA-N 1 3 318.465 2.277 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3nc[nH]c3C)C[C@H]2C1 ZINC000980229131 634906746 /nfs/dbraw/zinc/90/67/46/634906746.db2.gz IQHFPNHYYWAKCA-JYJNAYRXSA-N 1 3 318.465 2.277 20 0 DEADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC(C)(C)C[NH+]2CCCC2)C1 ZINC000837178439 650171331 /nfs/dbraw/zinc/17/13/31/650171331.db2.gz PZDWRSQAXLFBTK-KRWDZBQOSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H]1C[C@H](C[NH2+]CC2CCC2)CN1C(=O)CN1CCC(C)CC1 ZINC000980739408 635117326 /nfs/dbraw/zinc/11/73/26/635117326.db2.gz QKIIIDDVNQKXTQ-SJLPKXTDSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@H](F)CN1CCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001028002639 635212790 /nfs/dbraw/zinc/21/27/90/635212790.db2.gz FXYDWQZEMHKREV-LSDHHAIUSA-N 1 3 318.396 2.277 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCCN(C(=O)[C@H]2CCCN2C(C)C)CC1 ZINC000981143952 635330345 /nfs/dbraw/zinc/33/03/45/635330345.db2.gz XGBYWBQLXDVWAP-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCCN(C(=O)[C@H]2CCCN2C(C)C)CC1 ZINC000981143952 635330349 /nfs/dbraw/zinc/33/03/49/635330349.db2.gz XGBYWBQLXDVWAP-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CCC[N@H+](CC1CC(C)C1)C2)N(C)C ZINC000981842299 635688052 /nfs/dbraw/zinc/68/80/52/635688052.db2.gz XPQVEXJBQATJBR-OFLPRAFFSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CCC[N@@H+](CC1CC(C)C1)C2)N(C)C ZINC000981842299 635688057 /nfs/dbraw/zinc/68/80/57/635688057.db2.gz XPQVEXJBQATJBR-OFLPRAFFSA-N 1 3 321.509 2.297 20 0 DEADHO CCCN1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000981957031 635764097 /nfs/dbraw/zinc/76/40/97/635764097.db2.gz CLVDZXCSJKGFDX-QGZVFWFLSA-N 1 3 313.461 2.143 20 0 DEADHO CCCN1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000981957031 635764098 /nfs/dbraw/zinc/76/40/98/635764098.db2.gz CLVDZXCSJKGFDX-QGZVFWFLSA-N 1 3 313.461 2.143 20 0 DEADHO CC(C)[C@H](C(=O)N1CC2(C1)CCC[N@H+](CC1CCC1)C2)N(C)C ZINC000981991904 635796023 /nfs/dbraw/zinc/79/60/23/635796023.db2.gz ORMCTGJWUCYBFN-QGZVFWFLSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[C@H](C(=O)N1CC2(C1)CCC[N@@H+](CC1CCC1)C2)N(C)C ZINC000981991904 635796025 /nfs/dbraw/zinc/79/60/25/635796025.db2.gz ORMCTGJWUCYBFN-QGZVFWFLSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC000981991538 635796352 /nfs/dbraw/zinc/79/63/52/635796352.db2.gz KWUJLDIJYBKBSK-MRXNPFEDSA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC000981991538 635796354 /nfs/dbraw/zinc/79/63/54/635796354.db2.gz KWUJLDIJYBKBSK-MRXNPFEDSA-N 1 3 309.498 2.153 20 0 DEADHO CCCC[N@@H+]1CCCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC000982013331 635811150 /nfs/dbraw/zinc/81/11/50/635811150.db2.gz QPGBBJQEDANIPE-INIZCTEOSA-N 1 3 307.482 2.053 20 0 DEADHO CCCC[N@H+]1CCCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC000982013331 635811155 /nfs/dbraw/zinc/81/11/55/635811155.db2.gz QPGBBJQEDANIPE-INIZCTEOSA-N 1 3 307.482 2.053 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@H+](CC1CCCC1)C2)N(C)C ZINC000982019113 635814588 /nfs/dbraw/zinc/81/45/88/635814588.db2.gz QJTOBGXJGWYHNL-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](CC1CCCC1)C2)N(C)C ZINC000982019113 635814593 /nfs/dbraw/zinc/81/45/93/635814593.db2.gz QJTOBGXJGWYHNL-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC000982301816 635957302 /nfs/dbraw/zinc/95/73/02/635957302.db2.gz XQUWNPXXRCLGBU-YTQUADARSA-N 1 3 323.525 2.399 20 0 DEADHO CC(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC000982301816 635957303 /nfs/dbraw/zinc/95/73/03/635957303.db2.gz XQUWNPXXRCLGBU-YTQUADARSA-N 1 3 323.525 2.399 20 0 DEADHO CCC(CC)C[NH+]1CCC(NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001003628427 636008011 /nfs/dbraw/zinc/00/80/11/636008011.db2.gz PKKZRKDXYLCTMT-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cncs3)C2)[C@@H]1C(C)C ZINC000922392337 636154690 /nfs/dbraw/zinc/15/46/90/636154690.db2.gz CYKULGMDCKEURA-LVQVYYBASA-N 1 3 309.479 2.103 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cncs3)C2)[C@@H]1C(C)C ZINC000922392337 636154692 /nfs/dbraw/zinc/15/46/92/636154692.db2.gz CYKULGMDCKEURA-LVQVYYBASA-N 1 3 309.479 2.103 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NC1CC[NH+](CC2CCC2)CC1 ZINC001004204334 636222445 /nfs/dbraw/zinc/22/24/45/636222445.db2.gz RLRVLLMZMRUCJO-GJZGRUSLSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001028536338 636328162 /nfs/dbraw/zinc/32/81/62/636328162.db2.gz AFSPPMUBQZSOTL-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001028536338 636328164 /nfs/dbraw/zinc/32/81/64/636328164.db2.gz AFSPPMUBQZSOTL-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CCO[C@H](C[NH2+][C@H]1CCN([C@H](C)c2ccccc2)C1)CN(C)C ZINC000922758599 636380682 /nfs/dbraw/zinc/38/06/82/636380682.db2.gz XWGWJHFTBBIZDC-NZSAHSFTSA-N 1 3 319.493 2.378 20 0 DEADHO CCO[C@H](C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C)CN(C)C ZINC000922757651 636381263 /nfs/dbraw/zinc/38/12/63/636381263.db2.gz IVAGPAHWIBWNLO-QXAKKESOSA-N 1 3 319.493 2.063 20 0 DEADHO CC(C)[N@@H+]1C[C@@]2(C)CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982831136 636495461 /nfs/dbraw/zinc/49/54/61/636495461.db2.gz HJTYYUDSTSQLSN-PBWTXFEYSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)[N@H+]1C[C@@]2(C)CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982831136 636495465 /nfs/dbraw/zinc/49/54/65/636495465.db2.gz HJTYYUDSTSQLSN-PBWTXFEYSA-N 1 3 321.509 2.438 20 0 DEADHO CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946633279 636500110 /nfs/dbraw/zinc/50/01/10/636500110.db2.gz PPZSVEFWSUIKGO-BBWFWOEESA-N 1 3 309.498 2.153 20 0 DEADHO CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946633279 636500114 /nfs/dbraw/zinc/50/01/14/636500114.db2.gz PPZSVEFWSUIKGO-BBWFWOEESA-N 1 3 309.498 2.153 20 0 DEADHO COC(=O)N1CCC[C@@H](NC2CC[NH+](CCC(C)C)CC2)C1 ZINC000924909230 636521382 /nfs/dbraw/zinc/52/13/82/636521382.db2.gz VZWTVFIRSRVQJX-MRXNPFEDSA-N 1 3 311.470 2.317 20 0 DEADHO COC(=O)N1CCC[C@@H]([NH2+]C2CCN(CCC(C)C)CC2)C1 ZINC000924909230 636521378 /nfs/dbraw/zinc/52/13/78/636521378.db2.gz VZWTVFIRSRVQJX-MRXNPFEDSA-N 1 3 311.470 2.317 20 0 DEADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(OC)ccn2)CC1 ZINC000924951433 636643499 /nfs/dbraw/zinc/64/34/99/636643499.db2.gz MATNRDZAXQCKLV-CVEARBPZSA-N 1 3 320.481 2.014 20 0 DEADHO CC(C)=CC[NH+]1CCC(N(C)C(=O)CN2CCC[C@H]2C)CC1 ZINC001005990331 637044820 /nfs/dbraw/zinc/04/48/20/637044820.db2.gz DQGJVGBECMKZPK-MRXNPFEDSA-N 1 3 307.482 2.360 20 0 DEADHO c1csc(CN(C[C@@H]2CCCO2)C[C@@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923302726 637101625 /nfs/dbraw/zinc/10/16/25/637101625.db2.gz VHGRLUTZLAYLCW-GJZGRUSLSA-N 1 3 322.474 2.108 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]2CN(C[C@H](O)COc3ccc(Cl)cc3)C[C@H]21 ZINC000923333410 637120004 /nfs/dbraw/zinc/12/00/04/637120004.db2.gz QTEYASXJRLEHDC-JWZBEHFJSA-N 1 3 324.852 2.139 20 0 DEADHO COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923374056 637145571 /nfs/dbraw/zinc/14/55/71/637145571.db2.gz UIFIBUHBEJOMEU-WCLSJNJASA-N 1 3 306.450 2.181 20 0 DEADHO CC(C)(C)[C@@]1(C[NH3+])CCN(C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000923412827 637166742 /nfs/dbraw/zinc/16/67/42/637166742.db2.gz BYCALZIPURSTKL-CRAIPNDOSA-N 1 3 324.440 2.262 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](C(C)C)C[C@H]2CC1 ZINC000946904356 637197095 /nfs/dbraw/zinc/19/70/95/637197095.db2.gz DFPSFKYIWUZBKG-FGTMMUONSA-N 1 3 321.509 2.440 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](C(C)C)C[C@H]2CC1 ZINC000946904356 637197098 /nfs/dbraw/zinc/19/70/98/637197098.db2.gz DFPSFKYIWUZBKG-FGTMMUONSA-N 1 3 321.509 2.440 20 0 DEADHO [NH3+]CC[C@H]1CCN([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000923482266 637203572 /nfs/dbraw/zinc/20/35/72/637203572.db2.gz PQEOXHSVWCFLPT-WFASDCNBSA-N 1 3 307.825 2.116 20 0 DEADHO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923497664 637213755 /nfs/dbraw/zinc/21/37/55/637213755.db2.gz IJKZLBCTHQSUDK-LUKYLMHMSA-N 1 3 317.477 2.477 20 0 DEADHO CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923501491 637218791 /nfs/dbraw/zinc/21/87/91/637218791.db2.gz SNIARRUPGCNLMC-JJRVBVJISA-N 1 3 319.449 2.329 20 0 DEADHO CC(C)N1CC[C@@H](N2CCC([C@H]3CCC[NH2+]CC3)CC2)C1=O ZINC000923505611 637220899 /nfs/dbraw/zinc/22/08/99/637220899.db2.gz OLCRHEZXHQPYNE-DOTOQJQBSA-N 1 3 307.482 2.097 20 0 DEADHO CCc1ccc(NC(=O)[C@H](C)N2CC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923509237 637222973 /nfs/dbraw/zinc/22/29/73/637222973.db2.gz OBIIMBNXHLKYHA-YCPHGPKFSA-N 1 3 303.450 2.493 20 0 DEADHO CC(C)(C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC2)C1)N1CCCCC1 ZINC000983678308 637227275 /nfs/dbraw/zinc/22/72/75/637227275.db2.gz OONPPIVVYZWEDU-WKILWMFISA-N 1 3 307.482 2.145 20 0 DEADHO C[C@H]1[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)CCN1C ZINC000928442243 637242701 /nfs/dbraw/zinc/24/27/01/637242701.db2.gz ADVHHXLXWQGJNW-WMLDXEAASA-N 1 3 301.434 2.105 20 0 DEADHO C[NH+]1CCC(CN2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)CC1 ZINC000895012515 637374824 /nfs/dbraw/zinc/37/48/24/637374824.db2.gz KSZZIJPGGGSZCZ-HOTGVXAUSA-N 1 3 323.481 2.269 20 0 DEADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)NCCCCC[NH+]1CCCC1 ZINC000895049825 637418195 /nfs/dbraw/zinc/41/81/95/637418195.db2.gz GEADFDRVROCNMD-IAGOWNOFSA-N 1 3 322.497 2.131 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001029328980 637608260 /nfs/dbraw/zinc/60/82/60/637608260.db2.gz DZZZSTGOKLOPGO-KSZLIROESA-N 1 3 319.493 2.336 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001029328980 637608262 /nfs/dbraw/zinc/60/82/62/637608262.db2.gz DZZZSTGOKLOPGO-KSZLIROESA-N 1 3 319.493 2.336 20 0 DEADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001029339363 637623939 /nfs/dbraw/zinc/62/39/39/637623939.db2.gz VOWIRFNLGWJNKU-YESZJQIVSA-N 1 3 307.482 2.333 20 0 DEADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001029339363 637623941 /nfs/dbraw/zinc/62/39/41/637623941.db2.gz VOWIRFNLGWJNKU-YESZJQIVSA-N 1 3 307.482 2.333 20 0 DEADHO C[C@H](CC[NH2+]C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2)N(C)C ZINC000895291697 637891044 /nfs/dbraw/zinc/89/10/44/637891044.db2.gz BGXISEUERQSHTC-CKEIUWERSA-N 1 3 311.470 2.173 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]CC[C@H](C)N(C)C)C1 ZINC000895294387 637894356 /nfs/dbraw/zinc/89/43/56/637894356.db2.gz PNUCZRUGHHDGLN-XQQFMLRXSA-N 1 3 306.397 2.283 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H]1C1CCCC1 ZINC000895666042 638140765 /nfs/dbraw/zinc/14/07/65/638140765.db2.gz JOHRWTLQGFKJJT-RDJZCZTQSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H]1C1CCCC1 ZINC000895666042 638140768 /nfs/dbraw/zinc/14/07/68/638140768.db2.gz JOHRWTLQGFKJJT-RDJZCZTQSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCCC2(CC2)C1 ZINC000895667126 638141207 /nfs/dbraw/zinc/14/12/07/638141207.db2.gz ZOXGYVOKFKUEAC-HOTGVXAUSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCCC2(CC2)C1 ZINC000895667126 638141213 /nfs/dbraw/zinc/14/12/13/638141213.db2.gz ZOXGYVOKFKUEAC-HOTGVXAUSA-N 1 3 324.513 2.280 20 0 DEADHO CC(=O)OC[C@H](C)[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000895694450 638147324 /nfs/dbraw/zinc/14/73/24/638147324.db2.gz UXAROUGLMVXUEG-MPGHIAIKSA-N 1 3 304.434 2.296 20 0 DEADHO CCCNCC[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000841047270 650413513 /nfs/dbraw/zinc/41/35/13/650413513.db2.gz YOVXWUCJNVZCOZ-UHFFFAOYSA-N 1 3 304.482 2.311 20 0 DEADHO COc1ccc([C@H](NC(C)C)C(=O)NCC[N@H+](C)C(C)C)cc1 ZINC000896071784 638339994 /nfs/dbraw/zinc/33/99/94/638339994.db2.gz AHPMZTXQJLKTIW-KRWDZBQOSA-N 1 3 321.465 2.191 20 0 DEADHO COc1ccc([C@H](NC(C)C)C(=O)NCC[N@@H+](C)C(C)C)cc1 ZINC000896071784 638339996 /nfs/dbraw/zinc/33/99/96/638339996.db2.gz AHPMZTXQJLKTIW-KRWDZBQOSA-N 1 3 321.465 2.191 20 0 DEADHO COc1cc(CN[C@@H]2CCC[C@@H]([NH3+])C2)ccc1OC(=O)C1CC1 ZINC000841057355 650416922 /nfs/dbraw/zinc/41/69/22/650416922.db2.gz JITLBGSDEUZQDC-HUUCEWRRSA-N 1 3 318.417 2.370 20 0 DEADHO CN1CCCN(C(=O)NCCCCCCC[NH+]2CCCC2)CC1 ZINC000747957664 638494771 /nfs/dbraw/zinc/49/47/71/638494771.db2.gz WCBODZKYFJLKMP-UHFFFAOYSA-N 1 3 324.513 2.380 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C[N@H+](C)CC2CCCC2)C1 ZINC001029840491 639535616 /nfs/dbraw/zinc/53/56/16/639535616.db2.gz BLDJUXVRAJYCSI-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001029840491 639535622 /nfs/dbraw/zinc/53/56/22/639535622.db2.gz BLDJUXVRAJYCSI-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO CN(CC(=O)N[C@H](CC[NH+](C)C)c1cccnc1)CC(C)(C)C ZINC000928829482 639598127 /nfs/dbraw/zinc/59/81/27/639598127.db2.gz FSLSVGZNJUIDCP-MRXNPFEDSA-N 1 3 320.481 2.169 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CC2CCCC2)CCN1C(=O)CN(C)C1CCC1 ZINC000986356449 639885138 /nfs/dbraw/zinc/88/51/38/639885138.db2.gz OZSPYAJUFWONAC-YOEHRIQHSA-N 1 3 307.482 2.240 20 0 DEADHO CC[C@H](C(=O)N1CCC(C[N@H+](C)CC2CCC2)CC1)N(C)C ZINC001029972167 639945042 /nfs/dbraw/zinc/94/50/42/639945042.db2.gz DUAWCSYZSLBAIV-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C(=O)N1CCC(C[N@@H+](C)CC2CCC2)CC1)N(C)C ZINC001029972167 639945044 /nfs/dbraw/zinc/94/50/44/639945044.db2.gz DUAWCSYZSLBAIV-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO C[N@H+](CC1CCCC1)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001029999847 640027715 /nfs/dbraw/zinc/02/77/15/640027715.db2.gz MBADFMLKXKEQGH-UHFFFAOYSA-N 1 3 318.465 2.313 20 0 DEADHO C[N@@H+](CC1CCCC1)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001029999847 640027718 /nfs/dbraw/zinc/02/77/18/640027718.db2.gz MBADFMLKXKEQGH-UHFFFAOYSA-N 1 3 318.465 2.313 20 0 DEADHO C[C@@H]1[C@H]([NH2+]CC2CCC2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987253194 640143078 /nfs/dbraw/zinc/14/30/78/640143078.db2.gz IVNKYBNYDCNLQZ-NVXWUHKLSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)(C)[NH+]1CCC(NCCc2nnc3ccccn32)CC1 ZINC000764640734 640669051 /nfs/dbraw/zinc/66/90/51/640669051.db2.gz UDIYFMCEBSISBF-UHFFFAOYSA-N 1 3 301.438 2.124 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000766109886 640848930 /nfs/dbraw/zinc/84/89/30/640848930.db2.gz QLCYZZHPTCQEQR-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000766109886 640848932 /nfs/dbraw/zinc/84/89/32/640848932.db2.gz QLCYZZHPTCQEQR-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccco1 ZINC000897730128 640923303 /nfs/dbraw/zinc/92/33/03/640923303.db2.gz JTCGSXLHALEMFI-KKUMJFAQSA-N 1 3 307.438 2.167 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccco1 ZINC000897730128 640923306 /nfs/dbraw/zinc/92/33/06/640923306.db2.gz JTCGSXLHALEMFI-KKUMJFAQSA-N 1 3 307.438 2.167 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CC2=CCCCC2)CN1C(=O)CN1CCCC1 ZINC000989800858 641229914 /nfs/dbraw/zinc/22/99/14/641229914.db2.gz WCVOXRLCMYNIEK-RDJZCZTQSA-N 1 3 305.466 2.162 20 0 DEADHO CC(C)OCCN1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000774209275 641877133 /nfs/dbraw/zinc/87/71/33/641877133.db2.gz OYLNMKHCCPDXFE-AYHJJNSGSA-N 1 3 309.498 2.091 20 0 DEADHO C[NH+](C)[C@@H](CNC(=O)c1ccc(NC2=NCCC2)cc1)C1CC1 ZINC000900281628 642309182 /nfs/dbraw/zinc/30/91/82/642309182.db2.gz AKIGNOMTRBLWCK-INIZCTEOSA-N 1 3 314.433 2.361 20 0 DEADHO CNc1ccccc1C[NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000902338815 642999310 /nfs/dbraw/zinc/99/93/10/642999310.db2.gz XYHHWIYCOBVQOV-ZWKOTPCHSA-N 1 3 303.450 2.196 20 0 DEADHO CC1(C)C[NH2+]CC[C@H](NCCN2CCc3ccccc3C2)C1 ZINC000902333937 643009440 /nfs/dbraw/zinc/00/94/40/643009440.db2.gz NTOJNRGSAKZFNN-SFHVURJKSA-N 1 3 301.478 2.413 20 0 DEADHO Cc1cc(N2CCC[C@H](N[C@H]3CC[NH2+]CC(C)(C)C3)C2)n(C)n1 ZINC000902377162 643015004 /nfs/dbraw/zinc/01/50/04/643015004.db2.gz RQGUNXDLZPECHW-HOTGVXAUSA-N 1 3 319.497 2.065 20 0 DEADHO NOCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000902426595 643035210 /nfs/dbraw/zinc/03/52/10/643035210.db2.gz VRBHCALZTSUQGE-RCCFBDPRSA-N 1 3 303.450 2.157 20 0 DEADHO COC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H]1CCCOC1 ZINC000903221897 643294621 /nfs/dbraw/zinc/29/46/21/643294621.db2.gz UKTOSOWQXQJPEE-LHCMDFTLSA-N 1 3 308.466 2.175 20 0 DEADHO COC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H]1CCCOC1 ZINC000903221897 643294624 /nfs/dbraw/zinc/29/46/24/643294624.db2.gz UKTOSOWQXQJPEE-LHCMDFTLSA-N 1 3 308.466 2.175 20 0 DEADHO C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H]1CCC2(CCOCC2)O1 ZINC000903228630 643298913 /nfs/dbraw/zinc/29/89/13/643298913.db2.gz WLLCHQIMNCGRDQ-ONQFOCNCSA-N 1 3 320.477 2.462 20 0 DEADHO C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H]1CCC2(CCOCC2)O1 ZINC000903228630 643298916 /nfs/dbraw/zinc/29/89/16/643298916.db2.gz WLLCHQIMNCGRDQ-ONQFOCNCSA-N 1 3 320.477 2.462 20 0 DEADHO O[C@H]1C[C@](CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)(c2ccccc2)C1 ZINC000903275829 643306941 /nfs/dbraw/zinc/30/69/41/643306941.db2.gz DEJZTTXWKNCQEL-VJANTYMQSA-N 1 3 300.446 2.296 20 0 DEADHO O[C@H]1C[C@](CN[C@H]2CC[N@H+]3CCC[C@H]3C2)(c2ccccc2)C1 ZINC000903275829 643306945 /nfs/dbraw/zinc/30/69/45/643306945.db2.gz DEJZTTXWKNCQEL-VJANTYMQSA-N 1 3 300.446 2.296 20 0 DEADHO OC[C@@H](CCc1ccccc1)NC1CC[NH+](CC2CC2)CC1 ZINC000903288956 643313090 /nfs/dbraw/zinc/31/30/90/643313090.db2.gz FYJNCLHSWRIFCV-LJQANCHMSA-N 1 3 302.462 2.444 20 0 DEADHO C[C@@H]1CN(Cc2nc(-c3ccccc3F)no2)C[C@H]1CC[NH3+] ZINC000903500081 643365789 /nfs/dbraw/zinc/36/57/89/643365789.db2.gz SCSPTYNYBUGBMD-VXGBXAGGSA-N 1 3 304.369 2.292 20 0 DEADHO CSc1cccc(NC(=O)CN2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903494277 643370803 /nfs/dbraw/zinc/37/08/03/643370803.db2.gz AINRLCBLDXXXII-CHWSQXEVSA-N 1 3 307.463 2.264 20 0 DEADHO Clc1cnccc1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903508420 643373673 /nfs/dbraw/zinc/37/36/73/643373673.db2.gz GHSLAYOCISQWKY-IYBDPMFKSA-N 1 3 320.868 2.136 20 0 DEADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCNC3=O)cc2)C1 ZINC000786788681 643408566 /nfs/dbraw/zinc/40/85/66/643408566.db2.gz HJYVHFOTGIPHJD-GJZGRUSLSA-N 1 3 316.449 2.209 20 0 DEADHO COc1ccc(CN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C2CC2)cc1 ZINC000903718637 643438025 /nfs/dbraw/zinc/43/80/25/643438025.db2.gz QCCLQAILTPDNPY-MOPGFXCFSA-N 1 3 316.445 2.428 20 0 DEADHO Cc1ccc(OCCN(C)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903717435 643438364 /nfs/dbraw/zinc/43/83/64/643438364.db2.gz AHUUDDTXTZJXAZ-ZWKOTPCHSA-N 1 3 304.434 2.074 20 0 DEADHO CC[C@@H](NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1c(C)noc1C ZINC000903759350 643451788 /nfs/dbraw/zinc/45/17/88/643451788.db2.gz PIQCNUZDEAANQX-HUUCEWRRSA-N 1 3 307.438 2.491 20 0 DEADHO Fc1cccc(O[C@@H]2CCN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)c1 ZINC000903779440 643459209 /nfs/dbraw/zinc/45/92/09/643459209.db2.gz ZJPUVNNLDXCHMM-FGTMMUONSA-N 1 3 320.408 2.047 20 0 DEADHO CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1N(CCCF)Cc1ccccc1 ZINC000903796139 643465461 /nfs/dbraw/zinc/46/54/61/643465461.db2.gz SWBONAJCFJATJM-SJORKVTESA-N 1 3 322.424 2.389 20 0 DEADHO NC[C@@]12CC[C@H]1CC[N@@H+]2CCCc1nc(-c2ccccc2)no1 ZINC000903855490 643485782 /nfs/dbraw/zinc/48/57/82/643485782.db2.gz OHZANNYVVZOKTN-YJBOKZPZSA-N 1 3 312.417 2.482 20 0 DEADHO NC[C@@]12CC[C@H]1CC[N@H+]2CCCc1nc(-c2ccccc2)no1 ZINC000903855490 643485785 /nfs/dbraw/zinc/48/57/85/643485785.db2.gz OHZANNYVVZOKTN-YJBOKZPZSA-N 1 3 312.417 2.482 20 0 DEADHO OC[C@H]1c2ccccc2CCN1Cc1cccc2c1CC[NH2+]C2 ZINC000903896276 643498483 /nfs/dbraw/zinc/49/84/83/643498483.db2.gz UTPHBVLXTJBRLO-FQEVSTJZSA-N 1 3 308.425 2.424 20 0 DEADHO CCSCC[C@H](C)[N@H+](C)C[C@@H](CN)Cc1cnn(C)c1C ZINC000903899500 643501352 /nfs/dbraw/zinc/50/13/52/643501352.db2.gz SMLJUBLDWXAJPB-DZGCQCFKSA-N 1 3 312.527 2.309 20 0 DEADHO CCSCC[C@H](C)[N@@H+](C)C[C@@H](CN)Cc1cnn(C)c1C ZINC000903899500 643501353 /nfs/dbraw/zinc/50/13/53/643501353.db2.gz SMLJUBLDWXAJPB-DZGCQCFKSA-N 1 3 312.527 2.309 20 0 DEADHO COC(=O)c1cc2c(o1)c(OC)ccc2CNCCC(C)(C)[NH3+] ZINC000903938750 643516827 /nfs/dbraw/zinc/51/68/27/643516827.db2.gz IYPVVGCSOUABDB-UHFFFAOYSA-N 1 3 320.389 2.445 20 0 DEADHO Cc1ccc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)s1 ZINC000903980377 643534442 /nfs/dbraw/zinc/53/44/42/643534442.db2.gz PSCIGYOGSDRQTE-IYBDPMFKSA-N 1 3 305.491 2.457 20 0 DEADHO COc1cc(CN2CC[C@H](C[NH3+])[C@H](C)C2)cc(OC)c1OC ZINC000904410073 643661345 /nfs/dbraw/zinc/66/13/45/643661345.db2.gz AAZWOEHCROZYIC-TZMCWYRMSA-N 1 3 308.422 2.129 20 0 DEADHO CC1CCN(CCC[NH2+]C[C@@H](O)CC2(CO)CCCC2)CC1 ZINC000905890022 644073600 /nfs/dbraw/zinc/07/36/00/644073600.db2.gz QCJKACMTJCEWBR-KRWDZBQOSA-N 1 3 312.498 2.002 20 0 DEADHO CC1CC[NH+](CCCNC[C@@H](O)CC2(CO)CCCC2)CC1 ZINC000905890022 644073603 /nfs/dbraw/zinc/07/36/03/644073603.db2.gz QCJKACMTJCEWBR-KRWDZBQOSA-N 1 3 312.498 2.002 20 0 DEADHO Cc1cc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)n(C)n1 ZINC000793529692 644267664 /nfs/dbraw/zinc/26/76/64/644267664.db2.gz TXJVCGUBIXEVEJ-XHSDSOJGSA-N 1 3 308.470 2.269 20 0 DEADHO C[N@@H+]1CCC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@H]21 ZINC000907039876 644427135 /nfs/dbraw/zinc/42/71/35/644427135.db2.gz ZQKPJPCQLKJCKY-JKSUJKDBSA-N 1 3 307.482 2.194 20 0 DEADHO C[N@H+]1CCC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@H]21 ZINC000907039876 644427138 /nfs/dbraw/zinc/42/71/38/644427138.db2.gz ZQKPJPCQLKJCKY-JKSUJKDBSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000908415388 644852659 /nfs/dbraw/zinc/85/26/59/644852659.db2.gz NKGHUUNHCQUEMQ-CZUORRHYSA-N 1 3 314.433 2.455 20 0 DEADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cc(C)nc(Cl)c2)CC1 ZINC000797600199 644900164 /nfs/dbraw/zinc/90/01/64/644900164.db2.gz KZVWAZVSIVPTRD-AWEZNQCLSA-N 1 3 324.900 2.407 20 0 DEADHO CCCCC[C@H](C)NC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843388564 650964156 /nfs/dbraw/zinc/96/41/56/650964156.db2.gz RSWVBCPGKLKKST-ULQDDVLXSA-N 1 3 309.498 2.393 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)NC(C)(C)CCC[NH3+])cc(Cl)n1 ZINC000843481241 650982290 /nfs/dbraw/zinc/98/22/90/650982290.db2.gz BCMSXBMKLYVGIW-LBPRGKRZSA-N 1 3 312.845 2.067 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806131677 645801554 /nfs/dbraw/zinc/80/15/54/645801554.db2.gz LOIJUTVTVRUFOC-ZFWWWQNUSA-N 1 3 322.884 2.338 20 0 DEADHO C[NH+](C)[C@H](CC(=O)N[C@]1(C)CN2CCC1CC2)c1ccccc1 ZINC000912378569 646039849 /nfs/dbraw/zinc/03/98/49/646039849.db2.gz RZYSJSBBPVRPID-IEBWSBKVSA-N 1 3 315.461 2.280 20 0 DEADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1(C)CC1 ZINC000912419606 646067747 /nfs/dbraw/zinc/06/77/47/646067747.db2.gz QPTMVLULIQVWJJ-AWEZNQCLSA-N 1 3 322.497 2.033 20 0 DEADHO C[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)N3CCCCC3)C[C@@]2(C)C1 ZINC000913269753 646307344 /nfs/dbraw/zinc/30/73/44/646307344.db2.gz JADBKYYNQPCRJT-HDICACEKSA-N 1 3 307.482 2.051 20 0 DEADHO C[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)N3CCCCC3)C[C@@]2(C)C1 ZINC000913269753 646307345 /nfs/dbraw/zinc/30/73/45/646307345.db2.gz JADBKYYNQPCRJT-HDICACEKSA-N 1 3 307.482 2.051 20 0 DEADHO CC1CCN(CCNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000810133208 646330011 /nfs/dbraw/zinc/33/00/11/646330011.db2.gz DLHZVGPCYHPSSL-QGZVFWFLSA-N 1 3 313.461 2.047 20 0 DEADHO CC1CCN(CCNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000810133208 646330018 /nfs/dbraw/zinc/33/00/18/646330018.db2.gz DLHZVGPCYHPSSL-QGZVFWFLSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810413511 646360223 /nfs/dbraw/zinc/36/02/23/646360223.db2.gz UZXYNENUWSFYHM-RHSMWYFYSA-N 1 3 313.461 2.190 20 0 DEADHO Fc1ccc(CCNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(Cl)c1 ZINC000811478375 646534693 /nfs/dbraw/zinc/53/46/93/646534693.db2.gz IMFJAWZGGAQYPP-HUUCEWRRSA-N 1 3 312.816 2.474 20 0 DEADHO Fc1ccc(CCNC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(Cl)c1 ZINC000811478375 646534697 /nfs/dbraw/zinc/53/46/97/646534697.db2.gz IMFJAWZGGAQYPP-HUUCEWRRSA-N 1 3 312.816 2.474 20 0 DEADHO CCC[N@@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@H]12 ZINC000992015424 646828400 /nfs/dbraw/zinc/82/84/00/646828400.db2.gz VDOVPTRJAMQJQS-JENIJYKNSA-N 1 3 319.493 2.384 20 0 DEADHO CCC[N@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@H]12 ZINC000992015424 646828402 /nfs/dbraw/zinc/82/84/02/646828402.db2.gz VDOVPTRJAMQJQS-JENIJYKNSA-N 1 3 319.493 2.384 20 0 DEADHO CC(C)[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]21 ZINC000992725221 647197005 /nfs/dbraw/zinc/19/70/05/647197005.db2.gz ZLUCOWQMHNJUQL-HRCADAONSA-N 1 3 307.482 2.096 20 0 DEADHO CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]21 ZINC000992859227 647308829 /nfs/dbraw/zinc/30/88/29/647308829.db2.gz MPNOEUSQCSHSTJ-RCCFBDPRSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(N2CCCC2=O)cc1 ZINC000817897060 647374698 /nfs/dbraw/zinc/37/46/98/647374698.db2.gz CPHXGVAODXBDQZ-YOEHRIQHSA-N 1 3 301.434 2.291 20 0 DEADHO COc1cc(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])ccc1OC(C)C ZINC000817900575 647377245 /nfs/dbraw/zinc/37/72/45/647377245.db2.gz NSMHYYVQQXXGJP-FVQBIDKESA-N 1 3 322.449 2.324 20 0 DEADHO O[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccco1 ZINC000817913883 647379846 /nfs/dbraw/zinc/37/98/46/647379846.db2.gz PHNWMFXKOATLBB-DAYGRLMNSA-N 1 3 314.385 2.159 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000817916914 647380963 /nfs/dbraw/zinc/38/09/63/647380963.db2.gz JQBHSFQNNXYEAO-DJJJIMSYSA-N 1 3 311.429 2.333 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000817918034 647381283 /nfs/dbraw/zinc/38/12/83/647381283.db2.gz GMQMDEFTWOTFHS-DOMZBBRYSA-N 1 3 305.422 2.185 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000818535733 647476322 /nfs/dbraw/zinc/47/63/22/647476322.db2.gz KXAUGDUMTJZCLM-QGZVFWFLSA-N 1 3 303.450 2.102 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000820308881 647822172 /nfs/dbraw/zinc/82/21/72/647822172.db2.gz ORPOEHDPHOSBMO-DOTOQJQBSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000820308881 647822177 /nfs/dbraw/zinc/82/21/77/647822177.db2.gz ORPOEHDPHOSBMO-DOTOQJQBSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CC[N@H+](CC2CC2)CC1(C)C)N1CCCC1 ZINC000940945056 648976017 /nfs/dbraw/zinc/97/60/17/648976017.db2.gz WXAFGOIUZGWOGP-MRXNPFEDSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC1(C)C)N1CCCC1 ZINC000940945056 648976019 /nfs/dbraw/zinc/97/60/19/648976019.db2.gz WXAFGOIUZGWOGP-MRXNPFEDSA-N 1 3 321.509 2.488 20 0 DEADHO CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)C(C)(C)C1 ZINC000941074376 648993942 /nfs/dbraw/zinc/99/39/42/648993942.db2.gz CKSHMTJIQBPWBQ-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+]1CC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)C(C)(C)C1 ZINC000941074376 648993943 /nfs/dbraw/zinc/99/39/43/648993943.db2.gz CKSHMTJIQBPWBQ-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CCC2CC2)CC1(C)C ZINC000941186153 649018101 /nfs/dbraw/zinc/01/81/01/649018101.db2.gz DJEUHDDIDHZFDH-MRXNPFEDSA-N 1 3 318.465 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CCC2CC2)CC1(C)C ZINC000941186153 649018106 /nfs/dbraw/zinc/01/81/06/649018106.db2.gz DJEUHDDIDHZFDH-MRXNPFEDSA-N 1 3 318.465 2.277 20 0 DEADHO C[C@@H]1C[N@H+](CC2CC2)CC[C@@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC000942052089 649143153 /nfs/dbraw/zinc/14/31/53/649143153.db2.gz CDGAIPLZKMDYQZ-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1C[N@@H+](CC2CC2)CC[C@@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC000942052089 649143156 /nfs/dbraw/zinc/14/31/56/649143156.db2.gz CDGAIPLZKMDYQZ-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc(Cl)n1 ZINC000830462887 649449065 /nfs/dbraw/zinc/44/90/65/649449065.db2.gz ANBYIYUUDNWMRJ-FPMFFAJLSA-N 1 3 324.856 2.032 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(Cl)n1 ZINC000830462887 649449068 /nfs/dbraw/zinc/44/90/68/649449068.db2.gz ANBYIYUUDNWMRJ-FPMFFAJLSA-N 1 3 324.856 2.032 20 0 DEADHO [NH3+]CCCCCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000831094880 649537699 /nfs/dbraw/zinc/53/76/99/649537699.db2.gz PUQNZFNCIJGRHG-QGZVFWFLSA-N 1 3 318.465 2.079 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH2+]2)CN1Cc1ccccc1 ZINC000831236268 649558289 /nfs/dbraw/zinc/55/82/89/649558289.db2.gz WWWBHMIAGUAAJQ-RYQLBKOJSA-N 1 3 315.461 2.298 20 0 DEADHO CSCCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000073030868 649591153 /nfs/dbraw/zinc/59/11/53/649591153.db2.gz HMOJIYIADQGUIK-UHFFFAOYSA-N 1 3 320.506 2.308 20 0 DEADHO O=C(CCCC[NH+]1CCCC1)NC[C@H]1NCCc2ccccc21 ZINC000844196110 651089806 /nfs/dbraw/zinc/08/98/06/651089806.db2.gz CBTBRJCXIZBOIW-GOSISDBHSA-N 1 3 315.461 2.256 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC000848720376 651497750 /nfs/dbraw/zinc/49/77/50/651497750.db2.gz VREIRRKEVHWTOJ-ZACQAIPSSA-N 1 3 301.434 2.037 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@](C)(OC)c1ccccc1 ZINC000849035557 651591036 /nfs/dbraw/zinc/59/10/36/651591036.db2.gz MZDNATWJDRZHFS-FUHWJXTLSA-N 1 3 318.465 2.146 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc2c(s1)CCC2 ZINC000855346109 651680343 /nfs/dbraw/zinc/68/03/43/651680343.db2.gz OQRFKWZTLWNRAR-ZDUSSCGKSA-N 1 3 323.506 2.239 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc2c(s1)CCC2 ZINC000855346109 651680346 /nfs/dbraw/zinc/68/03/46/651680346.db2.gz OQRFKWZTLWNRAR-ZDUSSCGKSA-N 1 3 323.506 2.239 20 0 DEADHO CO[C@H](C)C[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856603786 651956879 /nfs/dbraw/zinc/95/68/79/651956879.db2.gz OOAHNCLRIWPRGI-CRAIPNDOSA-N 1 3 321.465 2.410 20 0 DEADHO CO[C@H](C)C[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856603786 651956881 /nfs/dbraw/zinc/95/68/81/651956881.db2.gz OOAHNCLRIWPRGI-CRAIPNDOSA-N 1 3 321.465 2.410 20 0 DEADHO [NH3+]CCc1ccc(CNC(=O)C[C@H]2NCc3ccccc32)cc1 ZINC000851632692 652193538 /nfs/dbraw/zinc/19/35/38/652193538.db2.gz RHEUILJQNVTDGK-GOSISDBHSA-N 1 3 309.413 2.039 20 0 DEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C=C1CC[NH2+]CC1 ZINC000852879304 652474262 /nfs/dbraw/zinc/47/42/62/652474262.db2.gz CYNBDGCYIQUEMK-UHFFFAOYSA-N 1 3 319.424 2.026 20 0 DEADHO C[NH2+]C[C@H](C)N[C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000854233248 652662673 /nfs/dbraw/zinc/66/26/73/652662673.db2.gz YEPKKDVHRGYFFQ-LSDHHAIUSA-N 1 3 305.422 2.237 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H](C)NC/C=C\Cl)[NH+]1CCCCC1 ZINC001390538141 1155799039 /nfs/dbraw/zinc/79/90/39/1155799039.db2.gz NAFHESYNHROHKV-XAQJJABOSA-N 1 3 315.889 2.344 20 0 DEADHO CN(CC(=O)NCC[C@H]1CC[N@H+](C/C=C/Cl)C1)C1CCC1 ZINC001391309095 1156327483 /nfs/dbraw/zinc/32/74/83/1156327483.db2.gz IYBMDSFMXHGHNE-VSZOKUSCSA-N 1 3 313.873 2.051 20 0 DEADHO CN(CC(=O)NCC[C@H]1CC[N@@H+](C/C=C/Cl)C1)C1CCC1 ZINC001391309095 1156327488 /nfs/dbraw/zinc/32/74/88/1156327488.db2.gz IYBMDSFMXHGHNE-VSZOKUSCSA-N 1 3 313.873 2.051 20 0 DEADHO CC[C@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001391826670 1156811015 /nfs/dbraw/zinc/81/10/15/1156811015.db2.gz NCNRLCFPROJUHF-VGWMRTNUSA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001393158717 1157727871 /nfs/dbraw/zinc/72/78/71/1157727871.db2.gz JNPIATNDARDFLO-FUHWJXTLSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H]([NH2+]CCC(C)(C)C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001393390865 1157818787 /nfs/dbraw/zinc/81/87/87/1157818787.db2.gz LTSWNPKUWPJWBY-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO CN(C)C1(C(=O)N(C)CC[N@H+](C)CC2CC(C)(C)C2)CCC1 ZINC001374499145 1157877473 /nfs/dbraw/zinc/87/74/73/1157877473.db2.gz LUICGHDBLAEPES-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CN(C)C1(C(=O)N(C)CC[N@@H+](C)CC2CC(C)(C)C2)CCC1 ZINC001374499145 1157877475 /nfs/dbraw/zinc/87/74/75/1157877475.db2.gz LUICGHDBLAEPES-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](CC2CCCC2)[C@@H](C)C1 ZINC001393788797 1157982769 /nfs/dbraw/zinc/98/27/69/1157982769.db2.gz PRHXHCTZCMTZOL-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)[C@@H](C)C1 ZINC001393788797 1157982779 /nfs/dbraw/zinc/98/27/79/1157982779.db2.gz PRHXHCTZCMTZOL-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CC1CC1 ZINC000382731767 685405479 /nfs/dbraw/zinc/40/54/79/685405479.db2.gz BZBQJCNCRRXHQQ-ROUUACIJSA-N 1 3 315.461 2.094 20 0 DEADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CC1CC1 ZINC000382731767 685405482 /nfs/dbraw/zinc/40/54/82/685405482.db2.gz BZBQJCNCRRXHQQ-ROUUACIJSA-N 1 3 315.461 2.094 20 0 DEADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(F)c1)N(C)C ZINC001394527239 1158612114 /nfs/dbraw/zinc/61/21/14/1158612114.db2.gz JIIBGJCVHWFWKL-BBRMVZONSA-N 1 3 309.429 2.102 20 0 DEADHO CC(C)(COCc1ccccc1)NC[C@@H](O)C[NH+]1CCCC1 ZINC000390164057 685438296 /nfs/dbraw/zinc/43/82/96/685438296.db2.gz DFLQPKLEROVMIE-QGZVFWFLSA-N 1 3 306.450 2.028 20 0 DEADHO C[C@@H]1[C@H](NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CCN1C ZINC000928437545 693778865 /nfs/dbraw/zinc/77/88/65/693778865.db2.gz QXPOAGZJZMQPTP-BPQIPLTHSA-N 1 3 315.461 2.075 20 0 DEADHO C[C@@H]1[C@H](NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCN1C ZINC000928445636 693781666 /nfs/dbraw/zinc/78/16/66/693781666.db2.gz SHBMOTIFJUPLAL-KBAYOESNSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1[C@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000928445636 693781669 /nfs/dbraw/zinc/78/16/69/693781669.db2.gz SHBMOTIFJUPLAL-KBAYOESNSA-N 1 3 315.461 2.107 20 0 DEADHO C[NH+]1CCC(NC[C@H](O)c2cccc(Br)c2)CC1 ZINC000037887365 683884552 /nfs/dbraw/zinc/88/45/52/683884552.db2.gz IKGODMBPNYWKHK-AWEZNQCLSA-N 1 3 313.239 2.166 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000073120576 683928155 /nfs/dbraw/zinc/92/81/55/683928155.db2.gz REFJKYPCPGLFTN-OAHLLOKOSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCC(F)(F)F)C(C)(C)C1 ZINC001394709782 1158714506 /nfs/dbraw/zinc/71/45/06/1158714506.db2.gz CHPHQJKQPJRPPD-LBPRGKRZSA-N 1 3 323.403 2.107 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CC)C2)C1 ZINC001054141867 693861231 /nfs/dbraw/zinc/86/12/31/693861231.db2.gz QIGJKMIXGKMIJJ-FUHWJXTLSA-N 1 3 307.482 2.195 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CC)C2)C1 ZINC001054141867 693861236 /nfs/dbraw/zinc/86/12/36/693861236.db2.gz QIGJKMIXGKMIJJ-FUHWJXTLSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145635 693862572 /nfs/dbraw/zinc/86/25/72/693862572.db2.gz URHSAPMCWZDINQ-GOSISDBHSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145635 693862575 /nfs/dbraw/zinc/86/25/75/693862575.db2.gz URHSAPMCWZDINQ-GOSISDBHSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001054195649 693877484 /nfs/dbraw/zinc/87/74/84/693877484.db2.gz AOBWUEPIKFMOCM-LJQANCHMSA-N 1 3 321.509 2.443 20 0 DEADHO CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001054195649 693877487 /nfs/dbraw/zinc/87/74/87/693877487.db2.gz AOBWUEPIKFMOCM-LJQANCHMSA-N 1 3 321.509 2.443 20 0 DEADHO C[C@H](F)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205353 693882479 /nfs/dbraw/zinc/88/24/79/693882479.db2.gz PPEBSWRESNLJQG-YOEHRIQHSA-N 1 3 322.428 2.015 20 0 DEADHO C[C@H](F)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205353 693882481 /nfs/dbraw/zinc/88/24/81/693882481.db2.gz PPEBSWRESNLJQG-YOEHRIQHSA-N 1 3 322.428 2.015 20 0 DEADHO CC(C)N1Cc2ccc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)cc2C1 ZINC001054281497 693913198 /nfs/dbraw/zinc/91/31/98/693913198.db2.gz NCAXSKBKWPBDCN-KSSFIOAISA-N 1 3 315.461 2.225 20 0 DEADHO CC(C)N1Cc2ccc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)cc2C1 ZINC001054281497 693913204 /nfs/dbraw/zinc/91/32/04/693913204.db2.gz NCAXSKBKWPBDCN-KSSFIOAISA-N 1 3 315.461 2.225 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)N(C)C[C@@H](C)[NH3+])N2CCCC2)cc1 ZINC000861568747 686146660 /nfs/dbraw/zinc/14/66/60/686146660.db2.gz ZSMTYBPQWYEVSN-NVXWUHKLSA-N 1 3 318.465 2.121 20 0 DEADHO C[C@@H](CNC(=[NH2+])Nc1ccc(CCO)cc1)N1CCCC[C@@H]1C ZINC000864452852 686725611 /nfs/dbraw/zinc/72/56/11/686725611.db2.gz KHSGXFBWXMHJGE-GJZGRUSLSA-N 1 3 318.465 2.421 20 0 DEADHO CN(CCc1cccc(F)c1)CC[N@H+](C)C1CCN(C)CC1 ZINC000930115609 694093513 /nfs/dbraw/zinc/09/35/13/694093513.db2.gz ZLEQELQLWPCJGC-UHFFFAOYSA-N 1 3 307.457 2.326 20 0 DEADHO CN(CCc1cccc(F)c1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000930115609 694093519 /nfs/dbraw/zinc/09/35/19/694093519.db2.gz ZLEQELQLWPCJGC-UHFFFAOYSA-N 1 3 307.457 2.326 20 0 DEADHO CC(C)=CCN1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001015971017 687485484 /nfs/dbraw/zinc/48/54/84/687485484.db2.gz WVBPIFJZQDGGQQ-GOSISDBHSA-N 1 3 319.493 2.265 20 0 DEADHO CN(C)CC[NH+]1CCC(N[C@H]2c3ccccc3OC[C@H]2F)CC1 ZINC000866227091 687500436 /nfs/dbraw/zinc/50/04/36/687500436.db2.gz ACECJDXBCNDSAR-AEFFLSMTSA-N 1 3 321.440 2.074 20 0 DEADHO COC(=O)/C=C\c1ccc(OCCN[C@@](C)(C[NH3+])C(C)C)cc1 ZINC000866662073 687644111 /nfs/dbraw/zinc/64/41/11/687644111.db2.gz WMSWNCPCEYQUBG-VOCYLRNQSA-N 1 3 320.433 2.215 20 0 DEADHO CC(C)CC[NH+]1CCC2(C[C@H]2NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001016828095 687711938 /nfs/dbraw/zinc/71/19/38/687711938.db2.gz CKWZTQGFDBCDGC-DLBZAZTESA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001016830087 687712240 /nfs/dbraw/zinc/71/22/40/687712240.db2.gz PNMPMWPOOFPWAY-DOTOQJQBSA-N 1 3 319.493 2.242 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC2CCC2)C1)C1CC1 ZINC001017143271 687802581 /nfs/dbraw/zinc/80/25/81/687802581.db2.gz VCYOYVZQQVDSEF-FUHWJXTLSA-N 1 3 321.509 2.297 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCC2)C1)C1CC1 ZINC001017143271 687802585 /nfs/dbraw/zinc/80/25/85/687802585.db2.gz VCYOYVZQQVDSEF-FUHWJXTLSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC2CC2)C1)N(C)C ZINC001017147284 687803452 /nfs/dbraw/zinc/80/34/52/687803452.db2.gz VNEIQCRKMMDVEH-IRXDYDNUSA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CC2)C1)N(C)C ZINC001017147284 687803459 /nfs/dbraw/zinc/80/34/59/687803459.db2.gz VNEIQCRKMMDVEH-IRXDYDNUSA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)[N@H+](C)C[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001017241468 687840570 /nfs/dbraw/zinc/84/05/70/687840570.db2.gz SVEXIVTTWOZYRT-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[N@@H+](C)C[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001017241468 687840578 /nfs/dbraw/zinc/84/05/78/687840578.db2.gz SVEXIVTTWOZYRT-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001017849807 687972140 /nfs/dbraw/zinc/97/21/40/687972140.db2.gz KWJWJXBQGKMJPD-KFGODFMUSA-N 1 3 321.509 2.438 20 0 DEADHO CC[C@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001017849807 687972145 /nfs/dbraw/zinc/97/21/45/687972145.db2.gz KWJWJXBQGKMJPD-KFGODFMUSA-N 1 3 321.509 2.438 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1C ZINC001018630885 688188711 /nfs/dbraw/zinc/18/87/11/688188711.db2.gz AVBDHEPBBWWBMC-ZWKOTPCHSA-N 1 3 315.461 2.088 20 0 DEADHO Cc1cccc(C)c1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001018628943 688189106 /nfs/dbraw/zinc/18/91/06/688189106.db2.gz UFDVHIGTRNHRLP-WMZOPIPTSA-N 1 3 315.461 2.088 20 0 DEADHO CC1CC(C[NH2+][C@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001018849525 688243231 /nfs/dbraw/zinc/24/32/31/688243231.db2.gz YLVOECCFCSEYBX-JCYILVPMSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]CC2CCCC2)C1 ZINC001025086001 688519287 /nfs/dbraw/zinc/51/92/87/688519287.db2.gz ZHMJXJIVUHBMNX-SJLPKXTDSA-N 1 3 321.509 2.489 20 0 DEADHO CC1CC(C[N@H+](C)C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001029756316 688573550 /nfs/dbraw/zinc/57/35/50/688573550.db2.gz TVJBFDHFYKWZRH-CGZBRXJRSA-N 1 3 321.509 2.297 20 0 DEADHO CC1CC(C[N@@H+](C)C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001029756316 688573554 /nfs/dbraw/zinc/57/35/54/688573554.db2.gz TVJBFDHFYKWZRH-CGZBRXJRSA-N 1 3 321.509 2.297 20 0 DEADHO CN(C)C[C@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)c1ccc(Cl)cc1 ZINC000870925612 688687920 /nfs/dbraw/zinc/68/79/20/688687920.db2.gz OVKAUOIGEKKSPZ-DYWXZXKOSA-N 1 3 321.852 2.186 20 0 DEADHO CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCC1(C)C ZINC000871154822 688737454 /nfs/dbraw/zinc/73/74/54/688737454.db2.gz KJVLEHNJYLDLOY-MRXNPFEDSA-N 1 3 307.482 2.336 20 0 DEADHO CN1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCC1(C)C ZINC000871154822 688737457 /nfs/dbraw/zinc/73/74/57/688737457.db2.gz KJVLEHNJYLDLOY-MRXNPFEDSA-N 1 3 307.482 2.336 20 0 DEADHO COc1ccc(OC)c([C@H](O)[C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000872137884 688934538 /nfs/dbraw/zinc/93/45/38/688934538.db2.gz RLIHRTWQVKGPJF-KHSSZTOVSA-N 1 3 322.449 2.198 20 0 DEADHO COc1ccc(OC)c([C@H](O)[C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000872137884 688934540 /nfs/dbraw/zinc/93/45/40/688934540.db2.gz RLIHRTWQVKGPJF-KHSSZTOVSA-N 1 3 322.449 2.198 20 0 DEADHO Cc1ccc(CNC(=O)[C@H](C)N(C)CCCCCC[NH3+])cc1 ZINC000872154773 688939725 /nfs/dbraw/zinc/93/97/25/688939725.db2.gz ALFYIMIJFBFTAH-INIZCTEOSA-N 1 3 305.466 2.451 20 0 DEADHO CCN(CC)C(=O)CN1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156983 688940570 /nfs/dbraw/zinc/94/05/70/688940570.db2.gz MWCMXAFNEDBRPS-WBVHZDCISA-N 1 3 309.498 2.474 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCC1C[NH+](CCC2CCCC2)C1 ZINC001031666333 688976306 /nfs/dbraw/zinc/97/63/06/688976306.db2.gz MOFMJMBPVOUHRO-SFHVURJKSA-N 1 3 321.509 2.488 20 0 DEADHO CN1CCN(C2CCN(c3cc[nH+]cc3C3CC3)CC2)CC1 ZINC000872625513 689051915 /nfs/dbraw/zinc/05/19/15/689051915.db2.gz BKVXZBHIXGWETC-UHFFFAOYSA-N 1 3 300.450 2.175 20 0 DEADHO CCCC[NH+]1CC(CNC(=O)c2ccccc2CN(C)C)C1 ZINC001032205376 689082782 /nfs/dbraw/zinc/08/27/82/689082782.db2.gz XDVMIEZTNRSAMB-UHFFFAOYSA-N 1 3 303.450 2.210 20 0 DEADHO CN1CCC[C@H]1CNC(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000872926247 689121479 /nfs/dbraw/zinc/12/14/79/689121479.db2.gz CSXNKHABVZAAQX-INIZCTEOSA-N 1 3 322.497 2.131 20 0 DEADHO CC[C@H](C)CN1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001032472596 689159539 /nfs/dbraw/zinc/15/95/39/689159539.db2.gz ZPLQWOUWJUSJSE-ULQDDVLXSA-N 1 3 319.493 2.194 20 0 DEADHO CC1(C)CC[C@@H](C[NH2+]C2CCN(Cc3ccccn3)CC2)NC1 ZINC000873235203 689190834 /nfs/dbraw/zinc/19/08/34/689190834.db2.gz LXILVWUTZQKAPJ-KRWDZBQOSA-N 1 3 316.493 2.414 20 0 DEADHO C[C@]12C[C@H]1CCC[C@H]2[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873243224 689191736 /nfs/dbraw/zinc/19/17/36/689191736.db2.gz JVJYTJPEVFRDHS-OLMNPRSZSA-N 1 3 311.433 2.394 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CCCCC2)C1 ZINC001032627913 689207022 /nfs/dbraw/zinc/20/70/22/689207022.db2.gz MLCDQKWLZILNDJ-NJAFHUGGSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CCCCC2)C1 ZINC001032627913 689207024 /nfs/dbraw/zinc/20/70/24/689207024.db2.gz MLCDQKWLZILNDJ-NJAFHUGGSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CC1 ZINC001032664093 689217658 /nfs/dbraw/zinc/21/76/58/689217658.db2.gz PVUKXMSBNCKDEV-OKZBNKHCSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CC1 ZINC001032664093 689217660 /nfs/dbraw/zinc/21/76/60/689217660.db2.gz PVUKXMSBNCKDEV-OKZBNKHCSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001033070431 689375918 /nfs/dbraw/zinc/37/59/18/689375918.db2.gz QGQFLSAORQTNGE-SJORKVTESA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033070431 689375922 /nfs/dbraw/zinc/37/59/22/689375922.db2.gz QGQFLSAORQTNGE-SJORKVTESA-N 1 3 307.482 2.192 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001033125673 689397651 /nfs/dbraw/zinc/39/76/51/689397651.db2.gz HAKSDPMJEOVCJD-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033125673 689397656 /nfs/dbraw/zinc/39/76/56/689397656.db2.gz HAKSDPMJEOVCJD-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001033415910 689493464 /nfs/dbraw/zinc/49/34/64/689493464.db2.gz MMTMFTNYYNADRM-PBHICJAKSA-N 1 3 313.461 2.142 20 0 DEADHO CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001033415910 689493466 /nfs/dbraw/zinc/49/34/66/689493466.db2.gz MMTMFTNYYNADRM-PBHICJAKSA-N 1 3 313.461 2.142 20 0 DEADHO CC[N@@H+]1CCCC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034396449 689834631 /nfs/dbraw/zinc/83/46/31/689834631.db2.gz GIBUDERIUANPQW-YOEHRIQHSA-N 1 3 313.461 2.190 20 0 DEADHO CC[N@H+]1CCCC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034396449 689834633 /nfs/dbraw/zinc/83/46/33/689834633.db2.gz GIBUDERIUANPQW-YOEHRIQHSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)CN1Cc1ccccc1 ZINC000876777629 689934324 /nfs/dbraw/zinc/93/43/24/689934324.db2.gz SOVOYPNKLMKGCK-XLNGHYISSA-N 1 3 315.461 2.139 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876883419 689963939 /nfs/dbraw/zinc/96/39/39/689963939.db2.gz BMZYIGAYUXGAQL-KBPBESRZSA-N 1 3 309.479 2.012 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cccc(Cl)c2N)CC1 ZINC000876931106 689975759 /nfs/dbraw/zinc/97/57/59/689975759.db2.gz IWBWUDWQAHREMD-ZDUSSCGKSA-N 1 3 310.873 2.038 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001034975256 690002747 /nfs/dbraw/zinc/00/27/47/690002747.db2.gz PKIAFKQABYGDIY-QZTJIDSGSA-N 1 3 317.477 2.416 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CC2CCCCC2)C1 ZINC001035049768 690021390 /nfs/dbraw/zinc/02/13/90/690021390.db2.gz SFMPFGGUNWQJCL-SJLPKXTDSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH]cn1)c1ccccc1 ZINC001035063594 690023868 /nfs/dbraw/zinc/02/38/68/690023868.db2.gz ZFOKXNQEFWAXBW-RHSMWYFYSA-N 1 3 312.417 2.294 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@@H]1C[NH2+]CC1CC1 ZINC001035131378 690034495 /nfs/dbraw/zinc/03/44/95/690034495.db2.gz IWCSRVKVWCXKSN-QGZVFWFLSA-N 1 3 315.461 2.352 20 0 DEADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877285338 690066068 /nfs/dbraw/zinc/06/60/68/690066068.db2.gz ZMZHLVAQPLYIEX-QZTJIDSGSA-N 1 3 313.445 2.249 20 0 DEADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877361133 690089117 /nfs/dbraw/zinc/08/91/17/690089117.db2.gz QKCWCAWOCYFEIG-OLZOCXBDSA-N 1 3 323.403 2.094 20 0 DEADHO CCCC[NH+]1CC2(C1)CCN(C(=O)CN1CCC(C)(C)C1)CC2 ZINC001035796406 690178740 /nfs/dbraw/zinc/17/87/40/690178740.db2.gz BWYGJKDVYVICCF-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)CN1CCC[C@@H]1C)CC2 ZINC001035797760 690178937 /nfs/dbraw/zinc/17/89/37/690178937.db2.gz HZMXTNWSYHWCTJ-SJORKVTESA-N 1 3 321.509 2.441 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC2(C[NH+](CC3CCCC3)C2)CC1 ZINC001035804879 690181085 /nfs/dbraw/zinc/18/10/85/690181085.db2.gz VHPFSXWOHOXRHH-UHFFFAOYSA-N 1 3 316.449 2.067 20 0 DEADHO CCOc1cncc(CN(CCOC)CC2CC[NH+](C)CC2)c1 ZINC000877664828 690182977 /nfs/dbraw/zinc/18/29/77/690182977.db2.gz YHZSZBFENPAKCH-UHFFFAOYSA-N 1 3 321.465 2.271 20 0 DEADHO C[NH+]1CCC(NC(=O)CN2CCCC3(CCCCC3)C2)CC1 ZINC000878097364 690308593 /nfs/dbraw/zinc/30/85/93/690308593.db2.gz AZIWVPMZZBOMJX-UHFFFAOYSA-N 1 3 307.482 2.243 20 0 DEADHO C[NH+]1CCC(NC(=O)CN2CCC[C@@]3(CC=CCC3)C2)CC1 ZINC000878107521 690312838 /nfs/dbraw/zinc/31/28/38/690312838.db2.gz YPOXMNQPSHKHPM-SFHVURJKSA-N 1 3 305.466 2.019 20 0 DEADHO C[C@@H]1CN(C[C@@H]2CCC(C)(C)CO2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000878324295 690378883 /nfs/dbraw/zinc/37/88/83/690378883.db2.gz KLPCCVJXODXOBQ-FGTMMUONSA-N 1 3 323.525 2.149 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@H]21 ZINC001036736417 690452950 /nfs/dbraw/zinc/45/29/50/690452950.db2.gz ZPDOWQWQQRKOIR-HZPDHXFCSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@H]21 ZINC001036736417 690452954 /nfs/dbraw/zinc/45/29/54/690452954.db2.gz ZPDOWQWQQRKOIR-HZPDHXFCSA-N 1 3 307.482 2.050 20 0 DEADHO O[C@H](CN1CCCN(c2cc[nH+]cc2)CC1)c1ccccc1F ZINC000878743353 690490091 /nfs/dbraw/zinc/49/00/91/690490091.db2.gz DUEBUINVRJKQFQ-GOSISDBHSA-N 1 3 315.392 2.466 20 0 DEADHO COCCN(Cc1ccc(C)nc1C)CC1CC[NH+](C)CC1 ZINC000879126813 690573720 /nfs/dbraw/zinc/57/37/20/690573720.db2.gz NKCTXNMAIJWZEG-UHFFFAOYSA-N 1 3 305.466 2.489 20 0 DEADHO C[NH+]1CCC(NC(=O)CN2CCC[C@@H](C3CCC3)CC2)CC1 ZINC000879426191 690638937 /nfs/dbraw/zinc/63/89/37/690638937.db2.gz COZVHXOKFFJPMF-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC(CC)CC ZINC001038325224 690782381 /nfs/dbraw/zinc/78/23/81/690782381.db2.gz CVCLVACLVWWMMJ-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC(CC)CC ZINC001038325224 690782384 /nfs/dbraw/zinc/78/23/84/690782384.db2.gz CVCLVACLVWWMMJ-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CSc1ccc(OCCN2CCC(O)(C[NH+](C)C)CC2)cc1 ZINC000931486126 694409322 /nfs/dbraw/zinc/40/93/22/694409322.db2.gz WMBXVKQVTBTCOD-UHFFFAOYSA-N 1 3 324.490 2.176 20 0 DEADHO C[NH+](C)CC1(O)CCN(CCSCc2ccccc2)CC1 ZINC000931481302 694408933 /nfs/dbraw/zinc/40/89/33/694408933.db2.gz PSDSFZAUNJHJAN-UHFFFAOYSA-N 1 3 308.491 2.308 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001039127846 691028077 /nfs/dbraw/zinc/02/80/77/691028077.db2.gz UAXKVYNEWDQTDW-MSOLQXFVSA-N 1 3 319.493 2.051 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001039127846 691028080 /nfs/dbraw/zinc/02/80/80/691028080.db2.gz UAXKVYNEWDQTDW-MSOLQXFVSA-N 1 3 319.493 2.051 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039173507 691039404 /nfs/dbraw/zinc/03/94/04/691039404.db2.gz YBSHGQNHVQVOOT-SFHVURJKSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039173507 691039407 /nfs/dbraw/zinc/03/94/07/691039407.db2.gz YBSHGQNHVQVOOT-SFHVURJKSA-N 1 3 321.509 2.299 20 0 DEADHO CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039214094 691057187 /nfs/dbraw/zinc/05/71/87/691057187.db2.gz NJWFGHQDOOAESP-RDJZCZTQSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039214094 691057190 /nfs/dbraw/zinc/05/71/90/691057190.db2.gz NJWFGHQDOOAESP-RDJZCZTQSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C1CC1)N(C)C ZINC001039288938 691075705 /nfs/dbraw/zinc/07/57/05/691075705.db2.gz KSYUATNODJCNBK-FBVQUNGASA-N 1 3 321.509 2.484 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1C[N@H+](CCC)CC2 ZINC001039385776 691094668 /nfs/dbraw/zinc/09/46/68/691094668.db2.gz UXNAHMRMOGSBQH-IKGGRYGDSA-N 1 3 307.482 2.336 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1C[N@@H+](CCC)CC2 ZINC001039385776 691094671 /nfs/dbraw/zinc/09/46/71/691094671.db2.gz UXNAHMRMOGSBQH-IKGGRYGDSA-N 1 3 307.482 2.336 20 0 DEADHO CC(C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)N1CCCC1 ZINC001039415808 691101403 /nfs/dbraw/zinc/10/14/03/691101403.db2.gz WLIFJTPBRTVXHI-CVEARBPZSA-N 1 3 307.482 2.335 20 0 DEADHO CC(C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)N1CCCC1 ZINC001039415808 691101405 /nfs/dbraw/zinc/10/14/05/691101405.db2.gz WLIFJTPBRTVXHI-CVEARBPZSA-N 1 3 307.482 2.335 20 0 DEADHO C=C/C=C\CCNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000881567663 691123863 /nfs/dbraw/zinc/12/38/63/691123863.db2.gz QTLMBJSEJINPHL-WAYWQWQTSA-N 1 3 319.493 2.431 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2)N(C)C ZINC001040250676 691220700 /nfs/dbraw/zinc/22/07/00/691220700.db2.gz SJPDOFMNSJMNCO-PKOBYXMFSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CC1)C2)N(C)C ZINC001040250676 691220702 /nfs/dbraw/zinc/22/07/02/691220702.db2.gz SJPDOFMNSJMNCO-PKOBYXMFSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C(C)C)C2)N(C)C ZINC001040378248 691239244 /nfs/dbraw/zinc/23/92/44/691239244.db2.gz DEORTLXRAGPPOQ-AEFFLSMTSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](C(C)C)C2)N(C)C ZINC001040378248 691239245 /nfs/dbraw/zinc/23/92/45/691239245.db2.gz DEORTLXRAGPPOQ-AEFFLSMTSA-N 1 3 309.498 2.296 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCCF)C2)N(C)C ZINC001040400350 691243196 /nfs/dbraw/zinc/24/31/96/691243196.db2.gz SOUBUAKAPUBTHQ-RDJZCZTQSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCCF)C2)N(C)C ZINC001040400350 691243199 /nfs/dbraw/zinc/24/31/99/691243199.db2.gz SOUBUAKAPUBTHQ-RDJZCZTQSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@@H](C(=O)N1CCC2(C1)CC[NH+](CCCF)CC2)N(C)C ZINC001040853808 691293445 /nfs/dbraw/zinc/29/34/45/691293445.db2.gz YDHSNQPPXQZPAE-HNNXBMFYSA-N 1 3 313.461 2.001 20 0 DEADHO CCCN1CCN(c2ccccc2C[NH2+][C@H](CO)C2CC2)CC1 ZINC000883002277 691407620 /nfs/dbraw/zinc/40/76/20/691407620.db2.gz BQNUAXZEGFWLIE-GOSISDBHSA-N 1 3 317.477 2.079 20 0 DEADHO CC[NH+](CC)CC[C@@H](CO)N[C@@H]1CCc2cccnc2CC1 ZINC000883159966 691444355 /nfs/dbraw/zinc/44/43/55/691444355.db2.gz AYLGOIHIFDVGDF-SJORKVTESA-N 1 3 305.466 2.011 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001041845604 691444669 /nfs/dbraw/zinc/44/46/69/691444669.db2.gz JPVSTXTXCWOPAU-MJGOQNOKSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001041845604 691444672 /nfs/dbraw/zinc/44/46/72/691444672.db2.gz JPVSTXTXCWOPAU-MJGOQNOKSA-N 1 3 321.509 2.441 20 0 DEADHO C[N@@H+]1CC[C@@H](NC[C@@H]2CCC3(CCOCC3)CO2)CC1(C)C ZINC000883253057 691465957 /nfs/dbraw/zinc/46/59/57/691465957.db2.gz HDEJXYLBXUGYJU-CVEARBPZSA-N 1 3 310.482 2.425 20 0 DEADHO C[N@H+]1CC[C@@H](NC[C@@H]2CCC3(CCOCC3)CO2)CC1(C)C ZINC000883253057 691465959 /nfs/dbraw/zinc/46/59/59/691465959.db2.gz HDEJXYLBXUGYJU-CVEARBPZSA-N 1 3 310.482 2.425 20 0 DEADHO CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]21 ZINC001042365111 691583041 /nfs/dbraw/zinc/58/30/41/691583041.db2.gz JICPRGKIIJFRKS-WMZOPIPTSA-N 1 3 315.461 2.305 20 0 DEADHO CC[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]21 ZINC001042365111 691583044 /nfs/dbraw/zinc/58/30/44/691583044.db2.gz JICPRGKIIJFRKS-WMZOPIPTSA-N 1 3 315.461 2.305 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000884200648 691680670 /nfs/dbraw/zinc/68/06/70/691680670.db2.gz HGQXWUBMDUCOER-XYPHTWIQSA-N 1 3 301.434 2.066 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001045205701 691951166 /nfs/dbraw/zinc/95/11/66/691951166.db2.gz SQPWMRGVJTWDEC-IRXDYDNUSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1)c1ccccc1 ZINC001045220058 691953800 /nfs/dbraw/zinc/95/38/00/691953800.db2.gz ZFOKXNQEFWAXBW-PBHICJAKSA-N 1 3 312.417 2.294 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCC1 ZINC001045322662 691963385 /nfs/dbraw/zinc/96/33/85/691963385.db2.gz UDWNYGWQUKUZMW-IRXDYDNUSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)O2 ZINC000886336121 692060266 /nfs/dbraw/zinc/06/02/66/692060266.db2.gz MYEQVPNYXDLJEF-ORDFZIBCSA-N 1 3 310.482 2.421 20 0 DEADHO C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)O2 ZINC000886336121 692060267 /nfs/dbraw/zinc/06/02/67/692060267.db2.gz MYEQVPNYXDLJEF-ORDFZIBCSA-N 1 3 310.482 2.421 20 0 DEADHO CC(C)[NH+]1CCC(NC[C@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)CC1 ZINC000886771937 692188569 /nfs/dbraw/zinc/18/85/69/692188569.db2.gz QGUFOGNUWXMKJQ-CYGHRXIMSA-N 1 3 310.482 2.421 20 0 DEADHO CC[C@@H](F)CN1CC[C@@](C)(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046450829 692190954 /nfs/dbraw/zinc/19/09/54/692190954.db2.gz WSQORAQAFPYHHT-RHSMWYFYSA-N 1 3 318.396 2.277 20 0 DEADHO CC[NH+]1CCC([C@H]2CCCN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001047255547 692403092 /nfs/dbraw/zinc/40/30/92/692403092.db2.gz ARMQJNHQEDRTLA-WMZOPIPTSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@H]([NH2+]CC1CCCCC1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048067115 692541851 /nfs/dbraw/zinc/54/18/51/692541851.db2.gz RNQSVDDQLFLRCH-WMZOPIPTSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C[NH2+]CC1CCC1 ZINC001048415160 692614106 /nfs/dbraw/zinc/61/41/06/692614106.db2.gz AGHOQAXIHIZXCQ-WMZOPIPTSA-N 1 3 321.509 2.203 20 0 DEADHO CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001049097098 692763527 /nfs/dbraw/zinc/76/35/27/692763527.db2.gz FSNZJOBMIBVWPV-IXDOHACOSA-N 1 3 307.482 2.050 20 0 DEADHO CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001049097098 692763529 /nfs/dbraw/zinc/76/35/29/692763529.db2.gz FSNZJOBMIBVWPV-IXDOHACOSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)CC[N@H+]1C[C@H]2CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049231855 692795477 /nfs/dbraw/zinc/79/54/77/692795477.db2.gz MXLOZENHHZIUBF-XLAORIBOSA-N 1 3 321.509 2.296 20 0 DEADHO CC(C)CC[N@@H+]1C[C@H]2CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049231855 692795481 /nfs/dbraw/zinc/79/54/81/692795481.db2.gz MXLOZENHHZIUBF-XLAORIBOSA-N 1 3 321.509 2.296 20 0 DEADHO CCCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@H]2C1 ZINC001049233039 692795723 /nfs/dbraw/zinc/79/57/23/692795723.db2.gz IUEVXUWPSGQWSW-IXDOHACOSA-N 1 3 307.482 2.051 20 0 DEADHO CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@H]2C1 ZINC001049233039 692795725 /nfs/dbraw/zinc/79/57/25/692795725.db2.gz IUEVXUWPSGQWSW-IXDOHACOSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001049534927 692915085 /nfs/dbraw/zinc/91/50/85/692915085.db2.gz XOOXXVBQGSQZNB-IKGGRYGDSA-N 1 3 309.498 2.294 20 0 DEADHO CC(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001049534927 692915088 /nfs/dbraw/zinc/91/50/88/692915088.db2.gz XOOXXVBQGSQZNB-IKGGRYGDSA-N 1 3 309.498 2.294 20 0 DEADHO CN(C(=O)NC1CCC(C)([NH+]2CCC2)CC1)[C@H]1CCCN(C)C1 ZINC000896704357 693009774 /nfs/dbraw/zinc/00/97/74/693009774.db2.gz IXLAQZCSENGGJN-PQUAAJSLSA-N 1 3 322.497 2.129 20 0 DEADHO CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1CN(C)C ZINC001049916814 693047399 /nfs/dbraw/zinc/04/73/99/693047399.db2.gz FUADSKAZFLOLAL-MSOLQXFVSA-N 1 3 315.461 2.447 20 0 DEADHO CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1CN(C)C ZINC001049916814 693047403 /nfs/dbraw/zinc/04/74/03/693047403.db2.gz FUADSKAZFLOLAL-MSOLQXFVSA-N 1 3 315.461 2.447 20 0 DEADHO C[C@@H](NCC1CC[NH+](Cc2cccs2)CC1)c1cnn(C)n1 ZINC000924865943 693195249 /nfs/dbraw/zinc/19/52/49/693195249.db2.gz KYDHZQXOHAVYNX-CYBMUJFWSA-N 1 3 319.478 2.439 20 0 DEADHO CC(C)=CC[NH+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC1 ZINC001050543752 693204011 /nfs/dbraw/zinc/20/40/11/693204011.db2.gz LGYVALFNDCHTNH-QGZVFWFLSA-N 1 3 319.493 2.217 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000932276366 694586691 /nfs/dbraw/zinc/58/66/91/694586691.db2.gz UDJLBWHNVQHWBK-IAGOWNOFSA-N 1 3 307.482 2.336 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000932276365 694586763 /nfs/dbraw/zinc/58/67/63/694586763.db2.gz UDJLBWHNVQHWBK-DLBZAZTESA-N 1 3 307.482 2.336 20 0 DEADHO CC1(C)C[C@@H]([NH3+])C[C@H](NCc2ccc(Cn3cncn3)cc2)C1 ZINC000925536309 693291243 /nfs/dbraw/zinc/29/12/43/693291243.db2.gz COKHJWCFRRKZSC-IRXDYDNUSA-N 1 3 313.449 2.322 20 0 DEADHO c1ccc(CN2CCC(N[C@H]3CC[NH2+]C34CCCC4)CC2)nc1 ZINC000925564669 693298742 /nfs/dbraw/zinc/29/87/42/693298742.db2.gz VEAQOLIAPLKLGQ-SFHVURJKSA-N 1 3 314.477 2.310 20 0 DEADHO C[C@H](c1ccncc1)N1CCC([NH2+][C@@H]2CCCN[C@H]2C)CC1 ZINC000925608318 693308376 /nfs/dbraw/zinc/30/83/76/693308376.db2.gz VWJHKFBMSAOMDL-HDMKZQKVSA-N 1 3 302.466 2.337 20 0 DEADHO OC[C@H](Cc1ccccc1)N[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925645143 693316154 /nfs/dbraw/zinc/31/61/54/693316154.db2.gz NTUOATOTGPBEFY-OTWHNJEPSA-N 1 3 302.462 2.348 20 0 DEADHO [NH3+]CCC[C@@H](NCc1cc(=O)n2ccccc2n1)c1ccccc1 ZINC000925701852 693326649 /nfs/dbraw/zinc/32/66/49/693326649.db2.gz HBKGVEGVGIUZFA-QGZVFWFLSA-N 1 3 322.412 2.264 20 0 DEADHO [NH3+][C@@H]1C[C@H](NC[C@@H]2CC[C@H](c3nc(C4CC4)no3)O2)C12CCC2 ZINC000925722566 693330169 /nfs/dbraw/zinc/33/01/69/693330169.db2.gz WZAPDPZFYZDHGQ-DGAVXFQQSA-N 1 3 318.421 2.027 20 0 DEADHO N[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H](c3nc(C4CC4)no3)O2)C12CCC2 ZINC000925722566 693330173 /nfs/dbraw/zinc/33/01/73/693330173.db2.gz WZAPDPZFYZDHGQ-DGAVXFQQSA-N 1 3 318.421 2.027 20 0 DEADHO CCS(=O)(=O)c1ccccc1CCN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000925833857 693349954 /nfs/dbraw/zinc/34/99/54/693349954.db2.gz KWOAOVFCOODHDZ-ZBFHGGJFSA-N 1 3 324.490 2.000 20 0 DEADHO O=C1O[C@@H](CN[C@@H]2CCc3ccc(F)cc32)CC12CC[NH2+]CC2 ZINC000925852213 693353436 /nfs/dbraw/zinc/35/34/36/693353436.db2.gz HGWLTRBOHHFINA-GDBMZVCRSA-N 1 3 318.392 2.088 20 0 DEADHO CCC[C@@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccn1 ZINC000925859159 693355347 /nfs/dbraw/zinc/35/53/47/693355347.db2.gz WBEXZRXGIYPXJO-LSDHHAIUSA-N 1 3 317.433 2.198 20 0 DEADHO C[C@@H]1CN(CCC[NH2+][C@@H]2CCCN3CCCC[C@H]23)CCCO1 ZINC000926288425 693429240 /nfs/dbraw/zinc/42/92/40/693429240.db2.gz VGVGZBSSYIBEFN-KZNAEPCWSA-N 1 3 309.498 2.094 20 0 DEADHO C[C@@H]1[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CO[C@H]1C ZINC000926695917 693494030 /nfs/dbraw/zinc/49/40/30/693494030.db2.gz ZLQGAUFQVYBWDM-MPGHIAIKSA-N 1 3 303.450 2.307 20 0 DEADHO CC(C)[NH+]1CCC(NC[C@H]2CCCN2CC(F)(F)F)CC1 ZINC000926927426 693530266 /nfs/dbraw/zinc/53/02/66/693530266.db2.gz VNOMLLVNMMRWPF-CQSZACIVSA-N 1 3 307.404 2.476 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2CCC[N@H+](CC3CCC3)CC2)C1 ZINC001052711967 693601026 /nfs/dbraw/zinc/60/10/26/693601026.db2.gz CCSZVWHLLHWNHC-RDJZCZTQSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2CCC[N@@H+](CC3CCC3)CC2)C1 ZINC001052711967 693601029 /nfs/dbraw/zinc/60/10/29/693601029.db2.gz CCSZVWHLLHWNHC-RDJZCZTQSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2CCC[N@H+](CCC3CC3)CC2)C1 ZINC001052712916 693601125 /nfs/dbraw/zinc/60/11/25/693601125.db2.gz PQTCNANISGDZIW-WBVHZDCISA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2CCC[N@@H+](CCC3CC3)CC2)C1 ZINC001052712916 693601126 /nfs/dbraw/zinc/60/11/26/693601126.db2.gz PQTCNANISGDZIW-WBVHZDCISA-N 1 3 307.482 2.099 20 0 DEADHO CC[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CC)CC1 ZINC001052985984 693662531 /nfs/dbraw/zinc/66/25/31/693662531.db2.gz CMKLIYZWLNDGBF-OIISXLGYSA-N 1 3 307.482 2.192 20 0 DEADHO CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053029005 693672536 /nfs/dbraw/zinc/67/25/36/693672536.db2.gz OSMMEGDJGIZEKE-DLBZAZTESA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053029005 693672540 /nfs/dbraw/zinc/67/25/40/693672540.db2.gz OSMMEGDJGIZEKE-DLBZAZTESA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(C(=O)[C@H](CC)N(C)C)C1CC[NH+](CC2CC2)CC1 ZINC001402227432 1162297749 /nfs/dbraw/zinc/29/77/49/1162297749.db2.gz FXIJLPVYSBFDPA-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@]1(C)CCC[N@H+](CCC2CC2)C1 ZINC001402234502 1162300062 /nfs/dbraw/zinc/30/00/62/1162300062.db2.gz XLUBFCALWFNRGX-GOSISDBHSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@]1(C)CCC[N@@H+](CCC2CC2)C1 ZINC001402234502 1162300066 /nfs/dbraw/zinc/30/00/66/1162300066.db2.gz XLUBFCALWFNRGX-GOSISDBHSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001402699704 1162444331 /nfs/dbraw/zinc/44/43/31/1162444331.db2.gz WVLFYAMLLUUWOB-KRWDZBQOSA-N 1 3 309.498 2.203 20 0 DEADHO Cc1cccc(C[NH2+][C@H](C)CNC(=O)C(C)(C)N2CCCC2)c1 ZINC001480516009 1151836841 /nfs/dbraw/zinc/83/68/41/1151836841.db2.gz KRSPXEVWEZKGAG-MRXNPFEDSA-N 1 3 317.477 2.464 20 0 DEADHO CC[C@H](C(=O)NCc1ccc2c(c1)C[N@@H+](CC1CC1)C2)N(C)C ZINC001402749725 1162459251 /nfs/dbraw/zinc/45/92/51/1162459251.db2.gz NFNCXGIVSVTIHX-GOSISDBHSA-N 1 3 315.461 2.369 20 0 DEADHO CC[C@H](C(=O)NCc1ccc2c(c1)C[N@H+](CC1CC1)C2)N(C)C ZINC001402749725 1162459254 /nfs/dbraw/zinc/45/92/54/1162459254.db2.gz NFNCXGIVSVTIHX-GOSISDBHSA-N 1 3 315.461 2.369 20 0 DEADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]C[C@H]1CCC(F)(F)C1)N(C)C ZINC001402840683 1162492895 /nfs/dbraw/zinc/49/28/95/1162492895.db2.gz MGQKAJSRLJUJMS-IHRRRGAJSA-N 1 3 319.440 2.246 20 0 DEADHO CC[C@H](C(=O)N[C@H](C[NH2+]Cc1ccc(F)cc1)C1CC1)N(C)C ZINC001379924377 1152713899 /nfs/dbraw/zinc/71/38/99/1152713899.db2.gz QJGMMTGFYHGZOB-IAGOWNOFSA-N 1 3 321.440 2.150 20 0 DEADHO CC(C)(C)CCCN1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001380026008 1152734312 /nfs/dbraw/zinc/73/43/12/1152734312.db2.gz NSKSQOWAECXUGP-OAHLLOKOSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H]1CCN(CC(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC001362023678 1152804613 /nfs/dbraw/zinc/80/46/13/1152804613.db2.gz LBJPOASLVBKLAH-GTPINHCMSA-N 1 3 307.482 2.242 20 0 DEADHO C[NH+](C)CCc1ccccc1C(=O)NCC1(NCCF)CCC1 ZINC001380877601 1152871550 /nfs/dbraw/zinc/87/15/50/1152871550.db2.gz RMHJQFDSEHFEBO-UHFFFAOYSA-N 1 3 321.440 2.002 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@H]1Cc2ccccc2CN1C(C)C ZINC001381033819 1152895839 /nfs/dbraw/zinc/89/58/39/1152895839.db2.gz QYCPDLYJJZFFAB-GOSISDBHSA-N 1 3 317.477 2.280 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@H]1Cc2ccccc2CN1C(C)C ZINC001381033819 1152895841 /nfs/dbraw/zinc/89/58/41/1152895841.db2.gz QYCPDLYJJZFFAB-GOSISDBHSA-N 1 3 317.477 2.280 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]CCC1CC1 ZINC001381098685 1152907863 /nfs/dbraw/zinc/90/78/63/1152907863.db2.gz CNYSYEYQAKNTMS-GOEBONIOSA-N 1 3 309.498 2.201 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001362523839 1152955991 /nfs/dbraw/zinc/95/59/91/1152955991.db2.gz DXUCPUFYBVKILH-IAGOWNOFSA-N 1 3 307.482 2.338 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001362523839 1152956001 /nfs/dbraw/zinc/95/60/01/1152956001.db2.gz DXUCPUFYBVKILH-IAGOWNOFSA-N 1 3 307.482 2.338 20 0 DEADHO C[NH+](C)CCC(=O)N1CCCC[C@H]1CNCc1ccccc1F ZINC001381274658 1152978271 /nfs/dbraw/zinc/97/82/71/1152978271.db2.gz AMMHISIAGHRVRI-INIZCTEOSA-N 1 3 321.440 2.248 20 0 DEADHO Cc1ccc(F)c(CN[C@H](C)[C@H](C)NC(=O)CCC[NH+](C)C)c1 ZINC001381422430 1153052563 /nfs/dbraw/zinc/05/25/63/1153052563.db2.gz VJGIPUVIANFVHF-CABCVRRESA-N 1 3 323.456 2.459 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCCC2)CC[N@@H+](C2CCC2)C1 ZINC001362899318 1153134392 /nfs/dbraw/zinc/13/43/92/1153134392.db2.gz LGONUZDDHOIYJO-HNNXBMFYSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCCC2)CC[N@H+](C2CCC2)C1 ZINC001362899318 1153134395 /nfs/dbraw/zinc/13/43/95/1153134395.db2.gz LGONUZDDHOIYJO-HNNXBMFYSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC001363162382 1153248481 /nfs/dbraw/zinc/24/84/81/1153248481.db2.gz UMTWUTZNBIJJJE-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC001363162382 1153248485 /nfs/dbraw/zinc/24/84/85/1153248485.db2.gz UMTWUTZNBIJJJE-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO COC(=O)N1CCC([NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)CC1 ZINC001363586328 1153473298 /nfs/dbraw/zinc/47/32/98/1153473298.db2.gz YRWCAKATJDWOBF-GJZGRUSLSA-N 1 3 323.481 2.460 20 0 DEADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]CCc2ccccc2)C1)N(C)C ZINC001382581386 1153474963 /nfs/dbraw/zinc/47/49/63/1153474963.db2.gz LHUCPYCUWIKWLG-ABHNRTSZSA-N 1 3 317.477 2.148 20 0 DEADHO C[C@@H]1CCC[C@]1(O)C[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001363619263 1153494822 /nfs/dbraw/zinc/49/48/22/1153494822.db2.gz NPGNISJJFRFCKC-CPFNUKBASA-N 1 3 310.482 2.161 20 0 DEADHO COC(=O)C1CC([NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC001363676012 1153548237 /nfs/dbraw/zinc/54/82/37/1153548237.db2.gz JAKNNFPDGLHJCY-FQXVJMBOSA-N 1 3 316.445 2.296 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCC3)C2)C1 ZINC001388757947 1155081896 /nfs/dbraw/zinc/08/18/96/1155081896.db2.gz WVAQHALHPRXUIJ-BHYGNILZSA-N 1 3 307.482 2.003 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)N(C)C)cc1F ZINC001403091833 1162703666 /nfs/dbraw/zinc/70/36/66/1162703666.db2.gz NRVLNJQELJSIRS-PBHICJAKSA-N 1 3 323.456 2.315 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1)N(C)C ZINC001403093372 1162704540 /nfs/dbraw/zinc/70/45/40/1162704540.db2.gz ZXMVJNNXSXHJKE-WBVHZDCISA-N 1 3 305.466 2.238 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001389985842 1155490990 /nfs/dbraw/zinc/49/09/90/1155490990.db2.gz IMXPJSBKJXTDOS-IXDOHACOSA-N 1 3 321.440 2.149 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001390397611 1155699784 /nfs/dbraw/zinc/69/97/84/1155699784.db2.gz ICKYVVZKFCLNFM-ZIAGYGMSSA-N 1 3 321.440 2.465 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001390397608 1155699806 /nfs/dbraw/zinc/69/98/06/1155699806.db2.gz ICKYVVZKFCLNFM-KGLIPLIRSA-N 1 3 321.440 2.465 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCc1ccsc1 ZINC001390439053 1155716487 /nfs/dbraw/zinc/71/64/87/1155716487.db2.gz VPJZEGNNZXUOEB-ZBFHGGJFSA-N 1 3 323.506 2.463 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCc1ccsc1 ZINC001390439053 1155716492 /nfs/dbraw/zinc/71/64/92/1155716492.db2.gz VPJZEGNNZXUOEB-ZBFHGGJFSA-N 1 3 323.506 2.463 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CCc1ccccc1F)N(C)C ZINC001390510611 1155775761 /nfs/dbraw/zinc/77/57/61/1155775761.db2.gz RDLIDTYNCIMVCN-RHSMWYFYSA-N 1 3 323.456 2.049 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H](NCc2nccs2)C1 ZINC001390612273 1155813565 /nfs/dbraw/zinc/81/35/65/1155813565.db2.gz LMHUMPZPUNQVBO-KBPBESRZSA-N 1 3 324.494 2.002 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@H](NCc2nccs2)C1 ZINC001390612273 1155813567 /nfs/dbraw/zinc/81/35/67/1155813567.db2.gz LMHUMPZPUNQVBO-KBPBESRZSA-N 1 3 324.494 2.002 20 0 DEADHO C[N@H+](CCC(C)(C)C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001390624524 1155818467 /nfs/dbraw/zinc/81/84/67/1155818467.db2.gz MEZKYBTVAOOTTB-HNNXBMFYSA-N 1 3 306.454 2.311 20 0 DEADHO C[N@@H+](CCC(C)(C)C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001390624524 1155818469 /nfs/dbraw/zinc/81/84/69/1155818469.db2.gz MEZKYBTVAOOTTB-HNNXBMFYSA-N 1 3 306.454 2.311 20 0 DEADHO CC[C@H](F)CN[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001371542673 1155868663 /nfs/dbraw/zinc/86/86/63/1155868663.db2.gz DWZKAUNHMJLSOW-HOTGVXAUSA-N 1 3 313.461 2.191 20 0 DEADHO CN(C)C1(C(=O)NCC[C@@H]2CC[N@H+](CCC3CC3)C2)CCC1 ZINC001391306907 1156325994 /nfs/dbraw/zinc/32/59/94/1156325994.db2.gz DOYNCYBJVNKBMW-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO CN(C)C1(C(=O)NCC[C@@H]2CC[N@@H+](CCC3CC3)C2)CCC1 ZINC001391306907 1156326003 /nfs/dbraw/zinc/32/60/03/1156326003.db2.gz DOYNCYBJVNKBMW-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001391594901 1156580589 /nfs/dbraw/zinc/58/05/89/1156580589.db2.gz YDZZMXVGJMHZFI-NVXWUHKLSA-N 1 3 303.450 2.280 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001391594901 1156580595 /nfs/dbraw/zinc/58/05/95/1156580595.db2.gz YDZZMXVGJMHZFI-NVXWUHKLSA-N 1 3 303.450 2.280 20 0 DEADHO CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NCc1ccccc1F ZINC001391714923 1156725000 /nfs/dbraw/zinc/72/50/00/1156725000.db2.gz CBJCNVJKJSGNNQ-HNNXBMFYSA-N 1 3 321.440 2.152 20 0 DEADHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccc(C)cc1 ZINC001391720096 1156736590 /nfs/dbraw/zinc/73/65/90/1156736590.db2.gz LSSCGALCRRBDBX-SJLPKXTDSA-N 1 3 317.477 2.321 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)CCc1ccccc1)N(C)C ZINC001403178197 1162808968 /nfs/dbraw/zinc/80/89/68/1162808968.db2.gz BWJARJPLFOBIIL-RDJZCZTQSA-N 1 3 305.466 2.006 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CCc1ccccc1)N(C)C ZINC001403178197 1162808969 /nfs/dbraw/zinc/80/89/69/1162808969.db2.gz BWJARJPLFOBIIL-RDJZCZTQSA-N 1 3 305.466 2.006 20 0 DEADHO CC[C@@H](F)CNCc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001391838828 1156813872 /nfs/dbraw/zinc/81/38/72/1156813872.db2.gz TYTRRONRIVAEOM-DLBZAZTESA-N 1 3 321.440 2.092 20 0 DEADHO CC[C@@H](F)CNCc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001391838828 1156813874 /nfs/dbraw/zinc/81/38/74/1156813874.db2.gz TYTRRONRIVAEOM-DLBZAZTESA-N 1 3 321.440 2.092 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H](CN(C)C/C=C/Cl)C1)[NH+](C)C ZINC001373291013 1156939110 /nfs/dbraw/zinc/93/91/10/1156939110.db2.gz GZGKBKBVPQGRPP-OCESRQBRSA-N 1 3 315.889 2.105 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001403247847 1162827013 /nfs/dbraw/zinc/82/70/13/1162827013.db2.gz AMPYUSKPMUXBAU-SJORKVTESA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)C[C@H](C)C[NH+]1CC(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001373538787 1157086523 /nfs/dbraw/zinc/08/65/23/1157086523.db2.gz NVXXNCNIXDWQSL-CVEARBPZSA-N 1 3 309.498 2.058 20 0 DEADHO CCc1ccccc1C[NH+]1CC(CNC(=O)[C@H](CC)N(C)C)C1 ZINC001373550299 1157091825 /nfs/dbraw/zinc/09/18/25/1157091825.db2.gz PJDLLENMTKGHEO-SFHVURJKSA-N 1 3 317.477 2.137 20 0 DEADHO C[C@H](CN(C)C/C=C/c1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392725435 1157374767 /nfs/dbraw/zinc/37/47/67/1157374767.db2.gz MINGSGATWSQLDC-HQWTUQCVSA-N 1 3 315.461 2.088 20 0 DEADHO C[C@H](CN(C)C/C=C/c1ccccc1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392725435 1157374775 /nfs/dbraw/zinc/37/47/75/1157374775.db2.gz MINGSGATWSQLDC-HQWTUQCVSA-N 1 3 315.461 2.088 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001392836304 1157457554 /nfs/dbraw/zinc/45/75/54/1157457554.db2.gz OHOPTMSEQKQHSM-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C)C[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001392836304 1157457562 /nfs/dbraw/zinc/45/75/62/1157457562.db2.gz OHOPTMSEQKQHSM-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1ccsc1 ZINC001374031658 1157555413 /nfs/dbraw/zinc/55/54/13/1157555413.db2.gz WEBBONCCZAXSDL-CYBMUJFWSA-N 1 3 309.479 2.074 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@]1(C)CCC[N@H+](CC2CCC2)C1 ZINC001393198974 1157755451 /nfs/dbraw/zinc/75/54/51/1157755451.db2.gz DEIANFHEKCTYIJ-GOSISDBHSA-N 1 3 318.465 2.279 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@]1(C)CCC[N@@H+](CC2CCC2)C1 ZINC001393198974 1157755458 /nfs/dbraw/zinc/75/54/58/1157755458.db2.gz DEIANFHEKCTYIJ-GOSISDBHSA-N 1 3 318.465 2.279 20 0 DEADHO C[C@@H](NC[C@@H](C)N(C)C(=O)CC[NH+](C)C)c1ccccc1F ZINC001374277849 1157797157 /nfs/dbraw/zinc/79/71/57/1157797157.db2.gz RMYSFFKDYSILJW-ZIAGYGMSSA-N 1 3 309.429 2.275 20 0 DEADHO C[C@H]([NH2+]CCC1CC1)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001374392752 1157836834 /nfs/dbraw/zinc/83/68/34/1157836834.db2.gz HQIJCPVCVSHJFX-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO CN(CC(=O)NCC1([NH2+]Cc2ccsc2)CCC1)C1CCC1 ZINC001393544153 1157858478 /nfs/dbraw/zinc/85/84/78/1157858478.db2.gz IVTNPDOKXWLLMA-UHFFFAOYSA-N 1 3 321.490 2.361 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001393599360 1157875646 /nfs/dbraw/zinc/87/56/46/1157875646.db2.gz NRECJPJTJUYPJC-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001393599360 1157875648 /nfs/dbraw/zinc/87/56/48/1157875648.db2.gz NRECJPJTJUYPJC-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]CC1CCC1)C1CC1 ZINC001403513278 1162921302 /nfs/dbraw/zinc/92/13/02/1162921302.db2.gz OQPVIMXBILNHDT-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001393992602 1158141413 /nfs/dbraw/zinc/14/14/13/1158141413.db2.gz HXLZYWWJILITLR-LSDHHAIUSA-N 1 3 309.498 2.391 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(C)nc1C ZINC001394008033 1158159340 /nfs/dbraw/zinc/15/93/40/1158159340.db2.gz XJCUTSRSQWYYGB-LSDHHAIUSA-N 1 3 320.481 2.023 20 0 DEADHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001394494913 1158586846 /nfs/dbraw/zinc/58/68/46/1158586846.db2.gz JKUWPGROWIINHR-NVXWUHKLSA-N 1 3 305.466 2.272 20 0 DEADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC001394545663 1158624594 /nfs/dbraw/zinc/62/45/94/1158624594.db2.gz WFOORRZZSIXJEG-CQSZACIVSA-N 1 3 309.429 2.104 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@]2(CC[N@H+](CCC)C2)C1 ZINC001375805415 1158877527 /nfs/dbraw/zinc/87/75/27/1158877527.db2.gz NGHABEBYIZZZGY-SFHVURJKSA-N 1 3 309.498 2.443 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@]2(CC[N@@H+](CCC)C2)C1 ZINC001375805415 1158877528 /nfs/dbraw/zinc/87/75/28/1158877528.db2.gz NGHABEBYIZZZGY-SFHVURJKSA-N 1 3 309.498 2.443 20 0 DEADHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(F)c1)N(C)C ZINC001403567139 1163007385 /nfs/dbraw/zinc/00/73/85/1163007385.db2.gz JIIBGJCVHWFWKL-XJKSGUPXSA-N 1 3 309.429 2.102 20 0 DEADHO CCCC[NH+]1CCC2(C[C@@H]2NC(=O)C2(N(C)C)CCC2)CC1 ZINC001376176884 1159194995 /nfs/dbraw/zinc/19/49/95/1159194995.db2.gz YRVRYBGAQANHAR-HNNXBMFYSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)cs1 ZINC001376405512 1159390945 /nfs/dbraw/zinc/39/09/45/1159390945.db2.gz YHLCBGGXZRSWGE-BZUAXINKSA-N 1 3 323.506 2.380 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001376627663 1159614491 /nfs/dbraw/zinc/61/44/91/1159614491.db2.gz FFKRKROUUICSLS-DOTOQJQBSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001376627663 1159614501 /nfs/dbraw/zinc/61/45/01/1159614501.db2.gz FFKRKROUUICSLS-DOTOQJQBSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cccc(C)c1 ZINC001376728434 1159732926 /nfs/dbraw/zinc/73/29/26/1159732926.db2.gz CAIPMSGFFGKFOE-SJLPKXTDSA-N 1 3 317.477 2.464 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CNC(=O)CN(C)C2CCC2)c(C)c1 ZINC001376740685 1159750520 /nfs/dbraw/zinc/75/05/20/1159750520.db2.gz NJIKKXWWTLBIDK-MRXNPFEDSA-N 1 3 317.477 2.382 20 0 DEADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)N[C@@H](C)c1ccccc1F ZINC001376803537 1159806274 /nfs/dbraw/zinc/80/62/74/1159806274.db2.gz ATTBJQYHYQTSBK-KBPBESRZSA-N 1 3 321.440 2.323 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001376955682 1159855564 /nfs/dbraw/zinc/85/55/64/1159855564.db2.gz WBYTZLDKKSEFNN-OAHLLOKOSA-N 1 3 309.498 2.203 20 0 DEADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1csc(C)c1)N(C)C ZINC001377109949 1159907503 /nfs/dbraw/zinc/90/75/03/1159907503.db2.gz YUUCGUJERSDOJY-DOMZBBRYSA-N 1 3 311.495 2.381 20 0 DEADHO CC[C@H](C(=O)N1CCC(CC)([NH2+]C/C=C/Cl)CC1)N(C)C ZINC001377122855 1159924082 /nfs/dbraw/zinc/92/40/82/1159924082.db2.gz HEWFBROEUZVLBT-DNGMOHDESA-N 1 3 315.889 2.440 20 0 DEADHO C[C@@H](c1ccccc1)N(C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001377151487 1159989937 /nfs/dbraw/zinc/98/99/37/1159989937.db2.gz FKDDGJQHYSMOAW-MAUKXSAKSA-N 1 3 315.461 2.137 20 0 DEADHO CCC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)CC1CC(C)C1 ZINC001377497514 1160431746 /nfs/dbraw/zinc/43/17/46/1160431746.db2.gz PUSTZCPCCGPNON-KLAILNCOSA-N 1 3 309.498 2.203 20 0 DEADHO CCC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)CC1CC(C)C1 ZINC001377497514 1160431751 /nfs/dbraw/zinc/43/17/51/1160431751.db2.gz PUSTZCPCCGPNON-KLAILNCOSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@@H](c1ccc(F)cc1)N(C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001403731057 1163120277 /nfs/dbraw/zinc/12/02/77/1163120277.db2.gz IQBOTTNERZONIS-LSDHHAIUSA-N 1 3 321.440 2.277 20 0 DEADHO C[C@@H](c1ccc(F)cc1)N(C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001403731057 1163120285 /nfs/dbraw/zinc/12/02/85/1163120285.db2.gz IQBOTTNERZONIS-LSDHHAIUSA-N 1 3 321.440 2.277 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CC3CCCC3)CC[C@@H]2C1 ZINC001397765793 1160468524 /nfs/dbraw/zinc/46/85/24/1160468524.db2.gz JCEGYVRCFPEWHV-MSOLQXFVSA-N 1 3 321.509 2.299 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CC3CCCC3)CC[C@@H]2C1 ZINC001397765793 1160468534 /nfs/dbraw/zinc/46/85/34/1160468534.db2.gz JCEGYVRCFPEWHV-MSOLQXFVSA-N 1 3 321.509 2.299 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC2CCCCC2)C[C@@H]1C ZINC001403739009 1163125440 /nfs/dbraw/zinc/12/54/40/1163125440.db2.gz BTXGSPFYCVWFKL-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[N@H+](CC1CC1)C1CC1 ZINC001377545019 1160534046 /nfs/dbraw/zinc/53/40/46/1160534046.db2.gz ABOBVCOHCSEZCD-QGZVFWFLSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[N@@H+](CC1CC1)C1CC1 ZINC001377545019 1160534054 /nfs/dbraw/zinc/53/40/54/1160534054.db2.gz ABOBVCOHCSEZCD-QGZVFWFLSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@H](C)[NH2+]C/C=C\Cl ZINC001377858479 1160853616 /nfs/dbraw/zinc/85/36/16/1160853616.db2.gz SABQBIJSMWXDER-YMVSPQSISA-N 1 3 303.878 2.200 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C1CC1 ZINC001398452448 1160895521 /nfs/dbraw/zinc/89/55/21/1160895521.db2.gz OKGNPZBSWGHZMZ-OAHLLOKOSA-N 1 3 306.454 2.181 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001398558125 1160974785 /nfs/dbraw/zinc/97/47/85/1160974785.db2.gz CONXWJISDMBROR-DJIMGWMZSA-N 1 3 303.450 2.326 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@H+](CC(C)C)CC[C@H]21 ZINC001398589474 1161004018 /nfs/dbraw/zinc/00/40/18/1161004018.db2.gz VBIJFXXVDUVZAG-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@@H+](CC(C)C)CC[C@H]21 ZINC001398589474 1161004027 /nfs/dbraw/zinc/00/40/27/1161004027.db2.gz VBIJFXXVDUVZAG-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](C)Cc1ccccc1C ZINC001492878132 1161167544 /nfs/dbraw/zinc/16/75/44/1161167544.db2.gz GMJLJTHHVDMMMW-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](C)Cc1ccccc1C ZINC001492878132 1161167549 /nfs/dbraw/zinc/16/75/49/1161167549.db2.gz GMJLJTHHVDMMMW-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@H](C)c1cccc(F)c1 ZINC001399831550 1161582011 /nfs/dbraw/zinc/58/20/11/1161582011.db2.gz VFLQPZOGEHIDFT-GDBMZVCRSA-N 1 3 321.440 2.277 20 0 DEADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H](C)c1cccc(F)c1 ZINC001399831550 1161582021 /nfs/dbraw/zinc/58/20/21/1161582021.db2.gz VFLQPZOGEHIDFT-GDBMZVCRSA-N 1 3 321.440 2.277 20 0 DEADHO CN(C)C1(C(=O)NCC2C[NH+](CC3CCCCCC3)C2)CCC1 ZINC001400512905 1161759725 /nfs/dbraw/zinc/75/97/25/1161759725.db2.gz ZUGUJOVCTCTHJT-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1csc(C)c1 ZINC001400866984 1161837921 /nfs/dbraw/zinc/83/79/21/1161837921.db2.gz UHACYHJBSXMARF-XJKSGUPXSA-N 1 3 323.506 2.383 20 0 DEADHO CN(CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CC2)CC1)CC(C)(C)C ZINC001401062244 1161865543 /nfs/dbraw/zinc/86/55/43/1161865543.db2.gz VFDWFTXTTOYKDY-WKILWMFISA-N 1 3 309.498 2.391 20 0 DEADHO CC[N@H+](C)CCC(=O)NCCC1CCN(C/C=C/Cl)CC1 ZINC001401079151 1161868374 /nfs/dbraw/zinc/86/83/74/1161868374.db2.gz KBJLHLVRKRRWAS-RUDMXATFSA-N 1 3 315.889 2.299 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCCC1CCN(C/C=C/Cl)CC1 ZINC001401079151 1161868375 /nfs/dbraw/zinc/86/83/75/1161868375.db2.gz KBJLHLVRKRRWAS-RUDMXATFSA-N 1 3 315.889 2.299 20 0 DEADHO C[C@H](NC[C@H]1CCCN1C(=O)CC[NH+](C)C)c1ccccc1F ZINC001401087627 1161869696 /nfs/dbraw/zinc/86/96/96/1161869696.db2.gz RILZRHLDENERCH-LSDHHAIUSA-N 1 3 321.440 2.419 20 0 DEADHO Cc1cccc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001401718256 1162089712 /nfs/dbraw/zinc/08/97/12/1162089712.db2.gz ODHVGWJLUIIMHP-DOTOQJQBSA-N 1 3 305.466 2.176 20 0 DEADHO CC1CC(C[NH2+]C[C@@H](NC(=O)C(C)(C)N2CCCC2)C2CC2)C1 ZINC001401848565 1162152685 /nfs/dbraw/zinc/15/26/85/1162152685.db2.gz LKLJOVOEBQYWPH-VMBOVVBDSA-N 1 3 321.509 2.391 20 0 DEADHO C[NH+](C)CC1(C(=O)NC[C@H]2CCN2CCCC2CCCC2)CC1 ZINC001401901284 1162172726 /nfs/dbraw/zinc/17/27/26/1162172726.db2.gz VKNROLRAFXEYOF-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO Cc1cccc(CNC2(CNC(=O)C3(C[NH+](C)C)CC3)CC2)c1 ZINC001401957356 1162196235 /nfs/dbraw/zinc/19/62/35/1162196235.db2.gz JQBPIBIFFSBKKZ-UHFFFAOYSA-N 1 3 315.461 2.075 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(CF)cc2)CC1)N(C)C ZINC001401964134 1162199371 /nfs/dbraw/zinc/19/93/71/1162199371.db2.gz NFVMSXLHONVUDK-INIZCTEOSA-N 1 3 321.440 2.235 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C1CC[NH+](CCC2CC2)CC1)N(C)C ZINC001403986898 1163353797 /nfs/dbraw/zinc/35/37/97/1163353797.db2.gz PXQAUSZMRMAJEW-PBHICJAKSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)NC1(C2CC[NH+](CC3CCC3)CC2)CC1)N(C)C ZINC001404023526 1163381994 /nfs/dbraw/zinc/38/19/94/1163381994.db2.gz ZHNSTELTLDTHHR-KRWDZBQOSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001404547865 1163703694 /nfs/dbraw/zinc/70/36/94/1163703694.db2.gz LZXGPEZSOWWWNF-SFHVURJKSA-N 1 3 317.477 2.355 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001404547865 1163703699 /nfs/dbraw/zinc/70/36/99/1163703699.db2.gz LZXGPEZSOWWWNF-SFHVURJKSA-N 1 3 317.477 2.355 20 0 DEADHO C[NH+](C)CC1(C(=O)N2C[C@@H]3C[C@H]2CN3CC2CC(C)(C)C2)CC1 ZINC001404973666 1163877582 /nfs/dbraw/zinc/87/75/82/1163877582.db2.gz XQVITJMYBHLRKJ-HOTGVXAUSA-N 1 3 319.493 2.050 20 0 DEADHO CC(C)N(C)CC(=O)N[C@](C)(C[NH2+]CC1CC(C)C1)C1CC1 ZINC001405495437 1164120076 /nfs/dbraw/zinc/12/00/76/1164120076.db2.gz ULEKSNRRRIXJHI-JTTJXQCZSA-N 1 3 309.498 2.247 20 0 DEADHO CC[C@@H](C(=O)NCCC1CC[NH+](CC[C@@H](C)F)CC1)N(C)C ZINC001405558323 1164148859 /nfs/dbraw/zinc/14/88/59/1164148859.db2.gz RPMXMOCYPGEORJ-ZBFHGGJFSA-N 1 3 315.477 2.293 20 0 DEADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2(NCCF)CCCC2)C1 ZINC001405776346 1164233758 /nfs/dbraw/zinc/23/37/58/1164233758.db2.gz WVWRHQWAGXFGPT-GJZGRUSLSA-N 1 3 313.461 2.095 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]C[C@@H](C)N(C)C(=O)CN1CCCC1 ZINC001405881281 1164309479 /nfs/dbraw/zinc/30/94/79/1164309479.db2.gz DRBKKVUUIHAKLM-OAHLLOKOSA-N 1 3 321.440 2.166 20 0 DEADHO CCc1ccc(CN2CC[C@@](C)(NC(=O)CC[NH+](C)C)C2)cc1 ZINC001407180586 1165029943 /nfs/dbraw/zinc/02/99/43/1165029943.db2.gz NCONLOSSTIOQKN-LJQANCHMSA-N 1 3 317.477 2.281 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001408078557 1165466524 /nfs/dbraw/zinc/46/65/24/1165466524.db2.gz VLUKNVBRLJLQLD-SIEMXDPISA-N 1 3 313.873 2.194 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCc2cccs2)C1 ZINC001408113051 1165482323 /nfs/dbraw/zinc/48/23/23/1165482323.db2.gz YLOLDBCZJPUPCP-ZBFHGGJFSA-N 1 3 323.506 2.069 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001408147506 1165498985 /nfs/dbraw/zinc/49/89/85/1165498985.db2.gz UXJOWMBNDPTDGW-CVEARBPZSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001408147506 1165498987 /nfs/dbraw/zinc/49/89/87/1165498987.db2.gz UXJOWMBNDPTDGW-CVEARBPZSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCCC1)N(C)C ZINC001417749249 1167186057 /nfs/dbraw/zinc/18/60/57/1167186057.db2.gz UDCBNMTWIJTMSV-DLBZAZTESA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCC1)N(C)C ZINC001417749249 1167186061 /nfs/dbraw/zinc/18/60/61/1167186061.db2.gz UDCBNMTWIJTMSV-DLBZAZTESA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)(C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC2)C1)N1CCCC1 ZINC001417772296 1167203244 /nfs/dbraw/zinc/20/32/44/1167203244.db2.gz ZBIDUIAVLPRJPI-IYBDPMFKSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C/C=C/Cl)C1 ZINC001418070734 1167394644 /nfs/dbraw/zinc/39/46/44/1167394644.db2.gz IFCYDAVUAIRXIP-WBZPIZBHSA-N 1 3 313.873 2.239 20 0 DEADHO CC[C@@H](F)CN[C@@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001418266722 1167533088 /nfs/dbraw/zinc/53/30/88/1167533088.db2.gz URCGWHXYZPOZJL-LSDHHAIUSA-N 1 3 315.477 2.341 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC1CC2(CCC2)C1 ZINC001418277846 1167541986 /nfs/dbraw/zinc/54/19/86/1167541986.db2.gz YPUBBJHXGHKPGK-CABCVRRESA-N 1 3 307.482 2.003 20 0 DEADHO C[C@@H](N[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1F ZINC001418300174 1167560745 /nfs/dbraw/zinc/56/07/45/1167560745.db2.gz IZJFHIODRDRDGK-UONOGXRCSA-N 1 3 319.424 2.077 20 0 DEADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@@H](C)c1ccccc1F ZINC001418300170 1167560900 /nfs/dbraw/zinc/56/09/00/1167560900.db2.gz IZJFHIODRDRDGK-KGLIPLIRSA-N 1 3 319.424 2.077 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)NCc1ccc(Cl)s1 ZINC001418301772 1167562641 /nfs/dbraw/zinc/56/26/41/1167562641.db2.gz HHURIYPNSGOAQJ-LLVKDONJSA-N 1 3 317.886 2.338 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)NCc1ccc(Cl)s1 ZINC001418301772 1167562648 /nfs/dbraw/zinc/56/26/48/1167562648.db2.gz HHURIYPNSGOAQJ-LLVKDONJSA-N 1 3 317.886 2.338 20 0 DEADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]CCC1CC1 ZINC001418313658 1167569421 /nfs/dbraw/zinc/56/94/21/1167569421.db2.gz OHVMPSNXQNQMCV-CQSZACIVSA-N 1 3 303.450 2.256 20 0 DEADHO Cc1cccc(C)c1C[N@@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001418465126 1167678793 /nfs/dbraw/zinc/67/87/93/1167678793.db2.gz LJRZFXWNKQUZID-UHFFFAOYSA-N 1 3 317.477 2.336 20 0 DEADHO Cc1cccc(C)c1C[N@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001418465126 1167678796 /nfs/dbraw/zinc/67/87/96/1167678796.db2.gz LJRZFXWNKQUZID-UHFFFAOYSA-N 1 3 317.477 2.336 20 0 DEADHO CC[C@H](C(=O)N1CCC(C[N@H+](C)C/C=C/Cl)CC1)N(C)C ZINC001418937597 1168079111 /nfs/dbraw/zinc/07/91/11/1168079111.db2.gz KLUORCFZXWCJSJ-RZIFZGNASA-N 1 3 315.889 2.250 20 0 DEADHO CC[C@H](C(=O)N1CCC(C[N@@H+](C)C/C=C/Cl)CC1)N(C)C ZINC001418937597 1168079113 /nfs/dbraw/zinc/07/91/13/1168079113.db2.gz KLUORCFZXWCJSJ-RZIFZGNASA-N 1 3 315.889 2.250 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]C[C@H](C)N(C)C(=O)CN(C)C(C)C ZINC001419759956 1168835885 /nfs/dbraw/zinc/83/58/85/1168835885.db2.gz HFTSZOYYVGBJLS-HNNXBMFYSA-N 1 3 323.456 2.411 20 0 DEADHO CN(C/C=C/Cl)CCC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001419838283 1168868023 /nfs/dbraw/zinc/86/80/23/1168868023.db2.gz JVRRELWAZVTNMF-RUDMXATFSA-N 1 3 315.889 2.251 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccccc1F ZINC001420499314 1169666352 /nfs/dbraw/zinc/66/63/52/1169666352.db2.gz FORNMYVMQURKSA-UONOGXRCSA-N 1 3 309.429 2.323 20 0 DEADHO C[C@@H](NC[C@H](NC(=O)CC[NH+](C)C)C1CC1)c1ccccc1F ZINC001420769861 1171133564 /nfs/dbraw/zinc/13/35/64/1171133564.db2.gz OMAQUJDIMNYPAY-DYVFJYSZSA-N 1 3 321.440 2.323 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1([NH2+]CC2CCCCC2)CC1)N(C)C ZINC001420996564 1171413942 /nfs/dbraw/zinc/41/39/42/1171413942.db2.gz YANKTKORNCRHFR-INIZCTEOSA-N 1 3 309.498 2.391 20 0 DEADHO C[NH+](C)CCC(=O)NCC1(C)CCN(CCC(F)(F)F)CC1 ZINC001421270741 1171656607 /nfs/dbraw/zinc/65/66/07/1171656607.db2.gz KYXTXTDDMRQXPH-UHFFFAOYSA-N 1 3 323.403 2.109 20 0 DEADHO CC[C@H](CNC(=O)[C@H]1CCCCN1C(C)C)[NH2+]C/C=C\Cl ZINC001421459121 1171808504 /nfs/dbraw/zinc/80/85/04/1171808504.db2.gz XIUBZXHRHZZFOY-UEDYQVLESA-N 1 3 315.889 2.486 20 0 DEADHO CC[C@H](C(=O)N(CC[NH2+]C(C)C)Cc1ccccc1)N(C)C ZINC001421559038 1171847389 /nfs/dbraw/zinc/84/73/89/1171847389.db2.gz DQNDNBHLEIGHFI-QGZVFWFLSA-N 1 3 305.466 2.353 20 0 DEADHO CC[C@H](C)C[NH+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)CC1 ZINC001421680150 1171897796 /nfs/dbraw/zinc/89/77/96/1171897796.db2.gz IWSNVNSVLKUHNM-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCC1(NC/C=C/Cl)CCC1 ZINC001421756327 1171966701 /nfs/dbraw/zinc/96/67/01/1171966701.db2.gz UPUCWSXEQSNDED-DEYRLNKFSA-N 1 3 313.873 2.242 20 0 DEADHO C[N@H+]1CCC[C@H]1CCC(=O)NCC1(NC/C=C/Cl)CCC1 ZINC001421756327 1171966709 /nfs/dbraw/zinc/96/67/09/1171966709.db2.gz UPUCWSXEQSNDED-DEYRLNKFSA-N 1 3 313.873 2.242 20 0 DEADHO CC(C)C[NH2+]C[C@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001421769942 1171982348 /nfs/dbraw/zinc/98/23/48/1171982348.db2.gz XSJIUZXNNMADHV-HNNXBMFYSA-N 1 3 305.466 2.360 20 0 DEADHO C[C@H](C[NH2+]Cc1cccc(F)c1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001421945791 1172165286 /nfs/dbraw/zinc/16/52/86/1172165286.db2.gz PEARMJRBYBQHDI-LSDHHAIUSA-N 1 3 321.440 2.104 20 0 DEADHO Cc1cc(CN2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]2C)cs1 ZINC001422125734 1172324082 /nfs/dbraw/zinc/32/40/82/1172324082.db2.gz LBMDKBGCWOBJEA-XJKSGUPXSA-N 1 3 323.506 2.477 20 0 DEADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccsc1 ZINC001422152420 1172350302 /nfs/dbraw/zinc/35/03/02/1172350302.db2.gz ZHSVZWGAWYONBN-ZDUSSCGKSA-N 1 3 309.479 2.217 20 0 DEADHO C[C@@H](CN1CCOCC1)N1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001422162668 1172361604 /nfs/dbraw/zinc/36/16/04/1172361604.db2.gz ZLPXZZYJAXCWHA-RBUKOAKNSA-N 1 3 323.525 2.294 20 0 DEADHO CC(C)C[C@@H](C)C[N@H+](C)CCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001422201376 1172387701 /nfs/dbraw/zinc/38/77/01/1172387701.db2.gz QVMOEFBJIZVHGY-IAGOWNOFSA-N 1 3 311.514 2.401 20 0 DEADHO CC(C)C[C@@H](C)C[N@@H+](C)CCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001422201376 1172387706 /nfs/dbraw/zinc/38/77/06/1172387706.db2.gz QVMOEFBJIZVHGY-IAGOWNOFSA-N 1 3 311.514 2.401 20 0 DEADHO CC[N@H+](CCC1CC1)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001422209730 1172395574 /nfs/dbraw/zinc/39/55/74/1172395574.db2.gz ICTPEEFLHJQGFY-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+](CCC1CC1)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001422209730 1172395586 /nfs/dbraw/zinc/39/55/86/1172395586.db2.gz ICTPEEFLHJQGFY-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCc2c1cccc2F)N(C)C ZINC001422512477 1172665181 /nfs/dbraw/zinc/66/51/81/1172665181.db2.gz DOIXKDBSDHGUBZ-CSMYWGQOSA-N 1 3 321.440 2.248 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)CCc1cccs1)N(C)C ZINC001422520361 1172671331 /nfs/dbraw/zinc/67/13/31/1172671331.db2.gz JTBSUSLBYAHPJR-UKRRQHHQSA-N 1 3 311.495 2.067 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CCc1cccs1)N(C)C ZINC001422520361 1172671335 /nfs/dbraw/zinc/67/13/35/1172671335.db2.gz JTBSUSLBYAHPJR-UKRRQHHQSA-N 1 3 311.495 2.067 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[N@H+](C)CCc1cccs1)N(C)C ZINC001422520359 1172671447 /nfs/dbraw/zinc/67/14/47/1172671447.db2.gz JTBSUSLBYAHPJR-DZGCQCFKSA-N 1 3 311.495 2.067 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)CCc1cccs1)N(C)C ZINC001422520359 1172671453 /nfs/dbraw/zinc/67/14/53/1172671453.db2.gz JTBSUSLBYAHPJR-DZGCQCFKSA-N 1 3 311.495 2.067 20 0 DEADHO CCc1ccc(C[NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C)cc1 ZINC001422618645 1172767729 /nfs/dbraw/zinc/76/77/29/1172767729.db2.gz PYZTYLBVFXLYHB-OAHLLOKOSA-N 1 3 305.466 2.184 20 0 DEADHO C[C@@H](CNCc1ccccc1Cl)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001422696991 1172815437 /nfs/dbraw/zinc/81/54/37/1172815437.db2.gz OQPAGQFBMWCVDQ-KBPBESRZSA-N 1 3 323.868 2.276 20 0 DEADHO C[C@@H](CNCc1ccccc1Cl)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001422696991 1172815439 /nfs/dbraw/zinc/81/54/39/1172815439.db2.gz OQPAGQFBMWCVDQ-KBPBESRZSA-N 1 3 323.868 2.276 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001422935566 1172956685 /nfs/dbraw/zinc/95/66/85/1172956685.db2.gz MCTOANUTRGBYLZ-CVEARBPZSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)o1 ZINC001422972499 1172987434 /nfs/dbraw/zinc/98/74/34/1172987434.db2.gz NMWRUWHNCFYVMD-BPLDGKMQSA-N 1 3 300.406 2.408 20 0 DEADHO CC[C@H](C)C[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001423007133 1173011066 /nfs/dbraw/zinc/01/10/66/1173011066.db2.gz GTCWAIGCSVNRHE-HOCLYGCPSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1ccccc1CCCN1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001423109165 1173082177 /nfs/dbraw/zinc/08/21/77/1173082177.db2.gz IGVPNWXWCSDEEP-GOSISDBHSA-N 1 3 317.477 2.070 20 0 DEADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1csc(C)c1 ZINC001423151186 1173121889 /nfs/dbraw/zinc/12/18/89/1173121889.db2.gz BMHKUHALBMGRAP-CYBMUJFWSA-N 1 3 311.495 2.335 20 0 DEADHO CN(CC(C)(C)C[NH2+]CC1CCC1)C(=O)CN(C)C1CCC1 ZINC001424882117 1174007597 /nfs/dbraw/zinc/00/75/97/1174007597.db2.gz ZQGWJXUOLFGHFF-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)CCC[NH+]1CC([C@@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001425216000 1174240271 /nfs/dbraw/zinc/24/02/71/1174240271.db2.gz ADVRMZUDGLZHBA-OAHLLOKOSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(C)c1)N(C)C ZINC001425591462 1174387834 /nfs/dbraw/zinc/38/78/34/1174387834.db2.gz HGMTZEVGRSHXDD-DOTOQJQBSA-N 1 3 305.466 2.272 20 0 DEADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCc2ccccc2F)C[C@H]1C ZINC001425915976 1174511103 /nfs/dbraw/zinc/51/11/03/1174511103.db2.gz NUDNYLJCGYBZME-ZBFHGGJFSA-N 1 3 321.440 2.247 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCc2ccccc2F)C[C@H]1C ZINC001425915976 1174511109 /nfs/dbraw/zinc/51/11/09/1174511109.db2.gz NUDNYLJCGYBZME-ZBFHGGJFSA-N 1 3 321.440 2.247 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C1CC[NH+](CCC2CC2)CC1 ZINC001426200370 1174643362 /nfs/dbraw/zinc/64/33/62/1174643362.db2.gz MNYLASDFXSKYLD-ZDUSSCGKSA-N 1 3 318.465 2.277 20 0 DEADHO OC1(C[NH+]2CCCCC2)CCN(C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC001434502734 1178692105 /nfs/dbraw/zinc/69/21/05/1178692105.db2.gz AKFDTFLQWWNNDF-ROUUACIJSA-N 1 3 322.493 2.257 20 0 DEADHO CC(C)N1CC[C@@H]1CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001436321958 1179038563 /nfs/dbraw/zinc/03/85/63/1179038563.db2.gz OSFWFOILBDMRFB-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CCC1 ZINC001436439723 1179097756 /nfs/dbraw/zinc/09/77/56/1179097756.db2.gz QGRIXDPJJVOOTB-WBVHZDCISA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)N(C)C1CC[NH+](CC2CC(C)C2)CC1)N(C)C ZINC001436668641 1179176618 /nfs/dbraw/zinc/17/66/18/1179176618.db2.gz LEPAMVDYNCJRCO-DQPZFDDXSA-N 1 3 309.498 2.296 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CC(C)(C)C3)C2)CCC1 ZINC001436954913 1179316390 /nfs/dbraw/zinc/31/63/90/1179316390.db2.gz QVLJJYOLDGOBGX-GASCZTMLSA-N 1 3 307.482 2.144 20 0 DEADHO Cc1ccccc1[C@@H](C)[N@H+](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001437517292 1179832972 /nfs/dbraw/zinc/83/29/72/1179832972.db2.gz OHLVFSQLWMPBES-DOTOQJQBSA-N 1 3 317.477 2.446 20 0 DEADHO Cc1ccccc1[C@@H](C)[N@@H+](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001437517292 1179832977 /nfs/dbraw/zinc/83/29/77/1179832977.db2.gz OHLVFSQLWMPBES-DOTOQJQBSA-N 1 3 317.477 2.446 20 0 DEADHO CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)CC1CC2(CCC2)C1 ZINC001437626913 1179869330 /nfs/dbraw/zinc/86/93/30/1179869330.db2.gz UDWMXVPASNUBHZ-MRXNPFEDSA-N 1 3 321.509 2.347 20 0 DEADHO CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)CC1CC2(CCC2)C1 ZINC001437626913 1179869331 /nfs/dbraw/zinc/86/93/31/1179869331.db2.gz UDWMXVPASNUBHZ-MRXNPFEDSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@H](c1ccccc1)N(C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001438936286 1180857454 /nfs/dbraw/zinc/85/74/54/1180857454.db2.gz FPARACJRXHBIJL-WBVHZDCISA-N 1 3 303.450 2.090 20 0 DEADHO C[C@H](c1ccccc1)N(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001438936286 1180857455 /nfs/dbraw/zinc/85/74/55/1180857455.db2.gz FPARACJRXHBIJL-WBVHZDCISA-N 1 3 303.450 2.090 20 0 DEADHO CN(CC(=O)N[C@H](C[NH2+]Cc1ccsc1)C1CC1)C1CCC1 ZINC001439451324 1181093056 /nfs/dbraw/zinc/09/30/56/1181093056.db2.gz AVSZLFOBGNYEMZ-MRXNPFEDSA-N 1 3 321.490 2.217 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC2(C1)CC[NH+](CCC1CC1)CC2 ZINC001439711780 1181206411 /nfs/dbraw/zinc/20/64/11/1181206411.db2.gz ZFGRGJCEDCIKSE-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H](F)CC[NH+]1CCC(C)(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001439802985 1181241475 /nfs/dbraw/zinc/24/14/75/1181241475.db2.gz RCFGSPWCDAXZKQ-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001440136016 1181364377 /nfs/dbraw/zinc/36/43/77/1181364377.db2.gz MSGBBNKAVSVBFW-WBVHZDCISA-N 1 3 323.525 2.447 20 0 DEADHO Cc1ccc(F)c(CN[C@H]2C[C@H](CNC(=O)CC[NH+](C)C)C2)c1 ZINC001440350705 1181460188 /nfs/dbraw/zinc/46/01/88/1181460188.db2.gz RDDMNWPBRYGOCR-KOMQPUFPSA-N 1 3 321.440 2.070 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCC2)C1)N(C)C ZINC001440397652 1181481726 /nfs/dbraw/zinc/48/17/26/1181481726.db2.gz AAFARXAESOIBGX-BBWFWOEESA-N 1 3 309.498 2.391 20 0 DEADHO Cc1ccccc1C[N@@H+](C)[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001440969623 1181804969 /nfs/dbraw/zinc/80/49/69/1181804969.db2.gz MKQMRNHWCDEODQ-DOTOQJQBSA-N 1 3 317.477 2.273 20 0 DEADHO Cc1ccccc1C[N@H+](C)[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001440969623 1181804972 /nfs/dbraw/zinc/80/49/72/1181804972.db2.gz MKQMRNHWCDEODQ-DOTOQJQBSA-N 1 3 317.477 2.273 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]([NH2+]CC2CC(C)(C)C2)C2CC2)C1 ZINC001441233594 1181906416 /nfs/dbraw/zinc/90/64/16/1181906416.db2.gz ZVUWMCPNPFYVEH-PBHICJAKSA-N 1 3 321.509 2.249 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]CC3CCCC3)C2)CCC1 ZINC001441351641 1181953003 /nfs/dbraw/zinc/95/30/03/1181953003.db2.gz INYDEQRCUUXNKS-WKILWMFISA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([N@H+](C)CCC(F)(F)F)CC1 ZINC001441394194 1181975008 /nfs/dbraw/zinc/97/50/08/1181975008.db2.gz IAYXNUNZYRSEES-UHFFFAOYSA-N 1 3 323.403 2.202 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([N@@H+](C)CCC(F)(F)F)CC1 ZINC001441394194 1181975011 /nfs/dbraw/zinc/97/50/11/1181975011.db2.gz IAYXNUNZYRSEES-UHFFFAOYSA-N 1 3 323.403 2.202 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]CC1CCC1)C1CC1 ZINC001441436734 1181994749 /nfs/dbraw/zinc/99/47/49/1181994749.db2.gz VJLABEYFWZYURN-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001441601448 1182084250 /nfs/dbraw/zinc/08/42/50/1182084250.db2.gz YHEMWMBYVSRINR-IRXDYDNUSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001441601448 1182084257 /nfs/dbraw/zinc/08/42/57/1182084257.db2.gz YHEMWMBYVSRINR-IRXDYDNUSA-N 1 3 309.498 2.203 20 0 DEADHO Cc1ccc(F)c(CN[C@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C)c1 ZINC001441823435 1182177235 /nfs/dbraw/zinc/17/72/35/1182177235.db2.gz MOIDAMZMLVGKLO-PBHICJAKSA-N 1 3 321.440 2.165 20 0 DEADHO CC[N@H+](CCNC(=O)CN1[C@H](C)CC[C@H]1C)CC1CCCC1 ZINC001442758479 1182692534 /nfs/dbraw/zinc/69/25/34/1182692534.db2.gz XNELRUKJYVECPA-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@@H+](CCNC(=O)CN1[C@H](C)CC[C@H]1C)CC1CCCC1 ZINC001442758479 1182692535 /nfs/dbraw/zinc/69/25/35/1182692535.db2.gz XNELRUKJYVECPA-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CN(CC[NH2+][C@H]1CCCc2ccccc21)C(=O)CN1CCCC1 ZINC001443096196 1182846353 /nfs/dbraw/zinc/84/63/53/1182846353.db2.gz QTHWYHNYGRUZJU-SFHVURJKSA-N 1 3 315.461 2.208 20 0 DEADHO CC[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CC[C@H](C)F ZINC001443966320 1183229352 /nfs/dbraw/zinc/22/93/52/1183229352.db2.gz NUGJAMWJXKVQMW-KBPBESRZSA-N 1 3 301.450 2.093 20 0 DEADHO CC[C@@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CC(C)C ZINC001443986058 1183242073 /nfs/dbraw/zinc/24/20/73/1183242073.db2.gz PMBILAFHZVJWMF-YOEHRIQHSA-N 1 3 315.477 2.339 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]C/C=C/Cl)CCCC1 ZINC001444533423 1183436047 /nfs/dbraw/zinc/43/60/47/1183436047.db2.gz LBWCJZWPLDZSNG-RMKNXTFCSA-N 1 3 301.862 2.099 20 0 DEADHO C[C@H](C[NH2+]Cc1cccc(Cl)c1)N(C)C(=O)[C@@H]1CCCN1C ZINC001444582024 1183467461 /nfs/dbraw/zinc/46/74/61/1183467461.db2.gz IOJNCXFVCDLJLK-CJNGLKHVSA-N 1 3 323.868 2.371 20 0 DEADHO CC[C@H](F)CNC[C@@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001444723400 1183532203 /nfs/dbraw/zinc/53/22/03/1183532203.db2.gz PEWUVPCWVWBCKR-CABCVRRESA-N 1 3 301.450 2.047 20 0 DEADHO CCC(CC)CN1CC(N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001446414365 1184341166 /nfs/dbraw/zinc/34/11/66/1184341166.db2.gz LCZITMGZWMVYOZ-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CC[NH+]1CCC(C)(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001446470719 1184362008 /nfs/dbraw/zinc/36/20/08/1184362008.db2.gz SYMUOJDNZXDVLV-QGZVFWFLSA-N 1 3 313.461 2.190 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC(C)C)CC1 ZINC001447103672 1184638584 /nfs/dbraw/zinc/63/85/84/1184638584.db2.gz NRACEXQVBKTECC-SHTZXODSSA-N 1 3 306.454 2.181 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[N@H+](C)CCCF ZINC001447370928 1184747452 /nfs/dbraw/zinc/74/74/52/1184747452.db2.gz AGFNFFBSFGDDRP-OAHLLOKOSA-N 1 3 301.450 2.001 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[N@@H+](C)CCCF ZINC001447370928 1184747457 /nfs/dbraw/zinc/74/74/57/1184747457.db2.gz AGFNFFBSFGDDRP-OAHLLOKOSA-N 1 3 301.450 2.001 20 0 DEADHO CCC1([NH2+]CC2CC2)CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001447408063 1184762007 /nfs/dbraw/zinc/76/20/07/1184762007.db2.gz QCKOFYHABMIIHT-INIZCTEOSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](CCc2cccs2)C1)N(C)C ZINC001448324635 1185163252 /nfs/dbraw/zinc/16/32/52/1185163252.db2.gz XKOJNCPDZLKTGJ-BBRMVZONSA-N 1 3 323.506 2.067 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]C/C=C/Cl)CN1C(=O)CN1CCC(C)CC1 ZINC001449000607 1185477499 /nfs/dbraw/zinc/47/74/99/1185477499.db2.gz DDKPEIJFYASKMB-VNGFFZMTSA-N 1 3 313.873 2.050 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001449062644 1185514195 /nfs/dbraw/zinc/51/41/95/1185514195.db2.gz NLIIPQVFGRURBP-IRXDYDNUSA-N 1 3 309.498 2.393 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C[NH2+]CC1CCC1)C(C)(C)C ZINC001449322790 1185652093 /nfs/dbraw/zinc/65/20/93/1185652093.db2.gz FZNKFWGMZFOBJZ-OAHLLOKOSA-N 1 3 306.454 2.181 20 0 DEADHO CC(C)C[NH+]1CCN(c2cc(Cl)nc3c2CCNC3)CC1 ZINC001164657278 719336565 /nfs/dbraw/zinc/33/65/65/719336565.db2.gz HVXSSIYTYLDFQE-UHFFFAOYSA-N 1 3 308.857 2.159 20 0 DEADHO Cc1c[nH+]c(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)cc1N ZINC001164735698 720427703 /nfs/dbraw/zinc/42/77/03/720427703.db2.gz XORXEJMXALHVTF-SJORKVTESA-N 1 3 309.417 2.220 20 0 DEADHO CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1)N(C)C ZINC001370590139 1149815415 /nfs/dbraw/zinc/81/54/15/1149815415.db2.gz ASFOYVCESGTRAB-NPYXIHBLSA-N 1 3 307.482 2.238 20 0 DEADHO CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1)N(C)C ZINC001370590139 1149815417 /nfs/dbraw/zinc/81/54/17/1149815417.db2.gz ASFOYVCESGTRAB-NPYXIHBLSA-N 1 3 307.482 2.238 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(C)cc1 ZINC001406682211 1164787284 /nfs/dbraw/zinc/78/72/84/1164787284.db2.gz DSTWXOUWWIPDQZ-INIZCTEOSA-N 1 3 305.466 2.273 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(C)cc1 ZINC001406682211 1164787292 /nfs/dbraw/zinc/78/72/92/1164787292.db2.gz DSTWXOUWWIPDQZ-INIZCTEOSA-N 1 3 305.466 2.273 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@H]1CC[N@H+](CCC)C1 ZINC001407001981 1164917475 /nfs/dbraw/zinc/91/74/75/1164917475.db2.gz NEEBGOPMYBJFFR-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@H]1CC[N@@H+](CCC)C1 ZINC001407001981 1164917481 /nfs/dbraw/zinc/91/74/81/1164917481.db2.gz NEEBGOPMYBJFFR-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)NCCCCC[NH+]1CCCC1 ZINC001122018916 782419666 /nfs/dbraw/zinc/41/96/66/782419666.db2.gz ZOHVFWXFFUYMGO-MRXNPFEDSA-N 1 3 310.486 2.036 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCF)C2)c1 ZINC001332340960 1149851513 /nfs/dbraw/zinc/85/15/13/1149851513.db2.gz NBFBDGDFUHUFJC-RHSMWYFYSA-N 1 3 321.440 2.206 20 0 DEADHO CCCCC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106247430 782567841 /nfs/dbraw/zinc/56/78/41/782567841.db2.gz ZCIRGZYKURORCG-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CCCCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106705014 782871312 /nfs/dbraw/zinc/87/13/12/782871312.db2.gz NKHWUMNLRYJXHJ-HUUCEWRRSA-N 1 3 306.454 2.217 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@H]1CC[N@H+](CC2CC2)CC(C)(C)C1 ZINC001089492428 783157579 /nfs/dbraw/zinc/15/75/79/783157579.db2.gz JZEWFZIBBFZOGS-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1 ZINC001089492428 783157589 /nfs/dbraw/zinc/15/75/89/783157589.db2.gz JZEWFZIBBFZOGS-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001072979654 790350522 /nfs/dbraw/zinc/35/05/22/790350522.db2.gz GXUZIDQZYIMVPR-JKSUJKDBSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@H](C)C[N@H+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001072979654 790350537 /nfs/dbraw/zinc/35/05/37/790350537.db2.gz GXUZIDQZYIMVPR-JKSUJKDBSA-N 1 3 307.482 2.051 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001209835629 776765645 /nfs/dbraw/zinc/76/56/45/776765645.db2.gz COCQGHILMRLYBQ-OAHLLOKOSA-N 1 3 304.438 2.113 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCCC1(C[NH2+]C/C=C\Cl)CC1 ZINC001167224922 776780671 /nfs/dbraw/zinc/78/06/71/776780671.db2.gz NTRYPQJKZNWKSO-LEPFTWFBSA-N 1 3 313.873 2.099 20 0 DEADHO C[C@@H](F)CC[NH2+]CC1(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001167225662 776781908 /nfs/dbraw/zinc/78/19/08/776781908.db2.gz WKUWMSSJAHYYTR-HUUCEWRRSA-N 1 3 313.461 2.095 20 0 DEADHO CC[C@H](C)C[NH2+]CC1(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001167232667 776785940 /nfs/dbraw/zinc/78/59/40/776785940.db2.gz LTFULZPHJSSTFE-HOTGVXAUSA-N 1 3 309.498 2.250 20 0 DEADHO CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001104292213 776950977 /nfs/dbraw/zinc/95/09/77/776950977.db2.gz OKQLBSGLUCJRKJ-OIISXLGYSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]CCCCCF)C1 ZINC001211278317 777029390 /nfs/dbraw/zinc/02/93/90/777029390.db2.gz RMBRPUWVMKVFJB-HNNXBMFYSA-N 1 3 301.450 2.047 20 0 DEADHO Cc1cc(CN2CCC[C@@H](NC(=O)C[NH+](C)C)C2)cc(C)c1F ZINC001143385130 777047647 /nfs/dbraw/zinc/04/76/47/777047647.db2.gz OUDROUOMANMTGY-MRXNPFEDSA-N 1 3 321.440 2.085 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[NH2+]CC[C@@H]1CCC[C@@H](C)C1 ZINC001149135379 778088741 /nfs/dbraw/zinc/08/87/41/778088741.db2.gz YGWHCXYHHMEVDK-HIFRSBDPSA-N 1 3 306.454 2.183 20 0 DEADHO CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001104753970 778150609 /nfs/dbraw/zinc/15/06/09/778150609.db2.gz XJYHIAXFQBRYSV-BRWVUGGUSA-N 1 3 309.498 2.343 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CC(C)C2)C1 ZINC001104812167 778193485 /nfs/dbraw/zinc/19/34/85/778193485.db2.gz MQNCFKNWHJYQCF-GPQLOAJWSA-N 1 3 323.525 2.449 20 0 DEADHO CC[NH+](CC)CCC[C@H](C)N1CCN(c2nccc(C)n2)CC1 ZINC001167834470 778685326 /nfs/dbraw/zinc/68/53/26/778685326.db2.gz KIUNIVKTPJFXKY-KRWDZBQOSA-N 1 3 319.497 2.418 20 0 DEADHO Cc1cc(C)n(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)n1 ZINC001167960535 779056144 /nfs/dbraw/zinc/05/61/44/779056144.db2.gz ZZLYHLJYXAJJKP-AYHJJNSGSA-N 1 3 302.466 2.495 20 0 DEADHO Cc1cc(C)n(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)n1 ZINC001167960535 779056149 /nfs/dbraw/zinc/05/61/49/779056149.db2.gz ZZLYHLJYXAJJKP-AYHJJNSGSA-N 1 3 302.466 2.495 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CCC3CC3)C[C@H]21 ZINC001075784869 779231936 /nfs/dbraw/zinc/23/19/36/779231936.db2.gz JWTMJYXNHXTAFX-RCCFBDPRSA-N 1 3 319.493 2.192 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CCC3CC3)C[C@H]21 ZINC001075784869 779231943 /nfs/dbraw/zinc/23/19/43/779231943.db2.gz JWTMJYXNHXTAFX-RCCFBDPRSA-N 1 3 319.493 2.192 20 0 DEADHO CC(C)=CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001075784626 779232172 /nfs/dbraw/zinc/23/21/72/779232172.db2.gz BFJCPOJSOAEVIM-OKZBNKHCSA-N 1 3 319.493 2.358 20 0 DEADHO CC(C)=CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001075784626 779232176 /nfs/dbraw/zinc/23/21/76/779232176.db2.gz BFJCPOJSOAEVIM-OKZBNKHCSA-N 1 3 319.493 2.358 20 0 DEADHO CC(C)=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001075784626 779232179 /nfs/dbraw/zinc/23/21/79/779232179.db2.gz BFJCPOJSOAEVIM-OKZBNKHCSA-N 1 3 319.493 2.358 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001075784626 779232180 /nfs/dbraw/zinc/23/21/80/779232180.db2.gz BFJCPOJSOAEVIM-OKZBNKHCSA-N 1 3 319.493 2.358 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCF)[C@@H]1CC ZINC001087593457 779369838 /nfs/dbraw/zinc/36/98/38/779369838.db2.gz HPXGNXYUIMFDQZ-XHSDSOJGSA-N 1 3 313.461 2.190 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCF)[C@@H]1CC ZINC001087593457 779369843 /nfs/dbraw/zinc/36/98/43/779369843.db2.gz HPXGNXYUIMFDQZ-XHSDSOJGSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)C[NH2+][C@H]1CCCCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001088382181 780052662 /nfs/dbraw/zinc/05/26/62/780052662.db2.gz WEWQCRDQOPMONJ-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CCC2CC2)C1)N(C)C ZINC001088383856 780056147 /nfs/dbraw/zinc/05/61/47/780056147.db2.gz OAMSWHSNOPVWJO-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO Cc1nc(N(C)C)cc(N2CCC([NH3+])(CC3CCC3)CC2)n1 ZINC001161569308 780488234 /nfs/dbraw/zinc/48/82/34/780488234.db2.gz HABOGUREZPKJQT-UHFFFAOYSA-N 1 3 303.454 2.339 20 0 DEADHO CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H](CC)N(C)C)CCC1 ZINC001105544567 780759301 /nfs/dbraw/zinc/75/93/01/780759301.db2.gz NJAQVVVEJYJKIZ-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO C[NH+](C)C1CCC(N2CCN(c3nccc(Cl)n3)CC2)CC1 ZINC001168324213 780838926 /nfs/dbraw/zinc/83/89/26/780838926.db2.gz KJOSZYKASSPFLD-UHFFFAOYSA-N 1 3 323.872 2.125 20 0 DEADHO CC(C)[N@H+]1C[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)[C@H](C)C1 ZINC001102430616 780974153 /nfs/dbraw/zinc/97/41/53/780974153.db2.gz YPSUYFASBQINLU-IXDOHACOSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[N@@H+]1C[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)[C@H](C)C1 ZINC001102430616 780974157 /nfs/dbraw/zinc/97/41/57/780974157.db2.gz YPSUYFASBQINLU-IXDOHACOSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ncnc4c3CNCC4)c2c1 ZINC001171167466 790874900 /nfs/dbraw/zinc/87/49/00/790874900.db2.gz ZLSYEVKAJIDZQX-CYBMUJFWSA-N 1 3 321.428 2.264 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCC[NH2+]CC1CCC(C)CC1 ZINC001127065853 781709551 /nfs/dbraw/zinc/70/95/51/781709551.db2.gz GAOPRDRKJJRWEJ-JCYILVPMSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CCC(C)C)[C@@H](C)C1 ZINC000947980158 783283412 /nfs/dbraw/zinc/28/34/12/783283412.db2.gz OGVGCKONPMEGNF-DZGCQCFKSA-N 1 3 306.454 2.276 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CCC(C)C)[C@@H](C)C1 ZINC000947980158 783283420 /nfs/dbraw/zinc/28/34/20/783283420.db2.gz OGVGCKONPMEGNF-DZGCQCFKSA-N 1 3 306.454 2.276 20 0 DEADHO CC(C)[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001089820018 783478961 /nfs/dbraw/zinc/47/89/61/783478961.db2.gz KAGKTSCYWAAPPJ-RANZSIQMSA-N 1 3 319.493 2.048 20 0 DEADHO CC(C)[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001089820018 783478970 /nfs/dbraw/zinc/47/89/70/783478970.db2.gz KAGKTSCYWAAPPJ-RANZSIQMSA-N 1 3 319.493 2.048 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC000967204200 783903084 /nfs/dbraw/zinc/90/30/84/783903084.db2.gz HIIDJBDPAXBTPX-IAGOWNOFSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC000967204200 783903095 /nfs/dbraw/zinc/90/30/95/783903095.db2.gz HIIDJBDPAXBTPX-IAGOWNOFSA-N 1 3 321.509 2.488 20 0 DEADHO CCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001085688354 783967109 /nfs/dbraw/zinc/96/71/09/783967109.db2.gz HZCUVHLHIWISQY-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001085688354 783967116 /nfs/dbraw/zinc/96/71/16/783967116.db2.gz HZCUVHLHIWISQY-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CCN1CC[C@H](C)[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967423544 783994613 /nfs/dbraw/zinc/99/46/13/783994613.db2.gz GNWQTLURFJMGPH-YJBOKZPZSA-N 1 3 317.477 2.251 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC2)C1 ZINC001086102084 784410858 /nfs/dbraw/zinc/41/08/58/784410858.db2.gz IOVBJUZOSWQTMK-IXDOHACOSA-N 1 3 307.482 2.145 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCC2CCCC2)C1)C1CC1 ZINC000968915314 784646515 /nfs/dbraw/zinc/64/65/15/784646515.db2.gz HZCZAVVVDGKASP-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1)C1CC1 ZINC000968912371 784647424 /nfs/dbraw/zinc/64/74/24/784647424.db2.gz GAACRQAUAZGBDW-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(CF)cc2)C1)N(C)C ZINC000969074606 784716940 /nfs/dbraw/zinc/71/69/40/784716940.db2.gz KRPKVVKXJGEYFY-IAGOWNOFSA-N 1 3 321.440 2.187 20 0 DEADHO C[C@H]1C[C@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168851738 784938842 /nfs/dbraw/zinc/93/88/42/784938842.db2.gz AHQJGTLJGAJCQJ-FZKCQIBNSA-N 1 3 323.481 2.268 20 0 DEADHO C[C@H]1C[C@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168851738 784938850 /nfs/dbraw/zinc/93/88/50/784938850.db2.gz AHQJGTLJGAJCQJ-FZKCQIBNSA-N 1 3 323.481 2.268 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC(=O)N(Cc3ccccc3)C1)C2 ZINC001169094558 785031212 /nfs/dbraw/zinc/03/12/12/785031212.db2.gz MNIXFLJAQDPGTB-XLAORIBOSA-N 1 3 313.445 2.002 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H](CO)Cc1ccc(Cl)cc1)C2 ZINC001169098381 785032816 /nfs/dbraw/zinc/03/28/16/785032816.db2.gz GVMNYSUHFQQBBP-LUKYLMHMSA-N 1 3 308.853 2.458 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H](CO)Cc1ccc(Cl)cc1)C2 ZINC001169098381 785032826 /nfs/dbraw/zinc/03/28/26/785032826.db2.gz GVMNYSUHFQQBBP-LUKYLMHMSA-N 1 3 308.853 2.458 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H](CO)Cc1cccc(Cl)c1)C2 ZINC001169099565 785033602 /nfs/dbraw/zinc/03/36/02/785033602.db2.gz BPAYMFPAHSXWIA-WCXIOVBPSA-N 1 3 308.853 2.458 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H](CO)Cc1cccc(Cl)c1)C2 ZINC001169099565 785033609 /nfs/dbraw/zinc/03/36/09/785033609.db2.gz BPAYMFPAHSXWIA-WCXIOVBPSA-N 1 3 308.853 2.458 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(OC3COC3)cc1)C2 ZINC001169099740 785034233 /nfs/dbraw/zinc/03/42/33/785034233.db2.gz UQMSKZYERDIKOZ-MUJYYYPQSA-N 1 3 302.418 2.179 20 0 DEADHO COC(=O)Cc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC001169119838 785043307 /nfs/dbraw/zinc/04/33/07/785043307.db2.gz XMXUYLFCPKYMIS-OSYLJGHBSA-N 1 3 302.418 2.117 20 0 DEADHO CN1CCOc2c1cnnc2N[C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169139793 785056012 /nfs/dbraw/zinc/05/60/12/785056012.db2.gz DJVXEHIGQYFUBJ-YVEFUNNKSA-N 1 3 319.453 2.261 20 0 DEADHO C[C@@H](F)CC[NH2+]CCCC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001171236080 791081013 /nfs/dbraw/zinc/08/10/13/791081013.db2.gz KWTKIRZHSDZRDV-CABCVRRESA-N 1 3 315.477 2.483 20 0 DEADHO CCOC(=O)[C@H]1CC[C@@H](NC2CC[NH+](C3CCCC3)CC2)CO1 ZINC001169350174 785143808 /nfs/dbraw/zinc/14/38/08/785143808.db2.gz SXGKWIBMYGWKCY-NVXWUHKLSA-N 1 3 324.465 2.094 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCCN(CCCF)C2)C1 ZINC001008277170 785160721 /nfs/dbraw/zinc/16/07/21/785160721.db2.gz MRJIOXFHGQQIIX-JKSUJKDBSA-N 1 3 313.461 2.049 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCCN(CCCF)C2)C1 ZINC001008277170 785160723 /nfs/dbraw/zinc/16/07/23/785160723.db2.gz MRJIOXFHGQQIIX-JKSUJKDBSA-N 1 3 313.461 2.049 20 0 DEADHO CC(C)=CCN1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001008296911 785164963 /nfs/dbraw/zinc/16/49/63/785164963.db2.gz AICWKUOLVJBIRI-ULQDDVLXSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)=CCN1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001008296911 785164967 /nfs/dbraw/zinc/16/49/67/785164967.db2.gz AICWKUOLVJBIRI-ULQDDVLXSA-N 1 3 307.482 2.264 20 0 DEADHO CC(=O)N1CCC[C@H]([N@@H+]2CCCC[C@@H]2CCN2CCCC2)C1 ZINC001169613958 785277463 /nfs/dbraw/zinc/27/74/63/785277463.db2.gz AXUYUQHNWYGCOJ-MSOLQXFVSA-N 1 3 307.482 2.338 20 0 DEADHO CC(=O)N1CCC[C@H]([N@H+]2CCCC[C@@H]2CCN2CCCC2)C1 ZINC001169613958 785277472 /nfs/dbraw/zinc/27/74/72/785277472.db2.gz AXUYUQHNWYGCOJ-MSOLQXFVSA-N 1 3 307.482 2.338 20 0 DEADHO [NH3+][C@H]1CCC[C@@H](N[C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169718360 785324813 /nfs/dbraw/zinc/32/48/13/785324813.db2.gz CUQKLGAIIMZXRZ-GVDBMIGSSA-N 1 3 301.434 2.151 20 0 DEADHO CC(C)=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C1CCC1)C2 ZINC001108704343 785495118 /nfs/dbraw/zinc/49/51/18/785495118.db2.gz IRCHKJUSRJEUMT-BQFCYCMXSA-N 1 3 319.493 2.406 20 0 DEADHO CC[C@H](C)CN1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001113158756 786421326 /nfs/dbraw/zinc/42/13/26/786421326.db2.gz KEXVNJKHGBIIEA-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001014623409 786666444 /nfs/dbraw/zinc/66/64/44/786666444.db2.gz BNPPUCHDFYUEOG-IRXDYDNUSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001014623409 786666448 /nfs/dbraw/zinc/66/64/48/786666448.db2.gz BNPPUCHDFYUEOG-IRXDYDNUSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001015695000 787187773 /nfs/dbraw/zinc/18/77/73/787187773.db2.gz DPVZJXJFTZTVGM-RHSMWYFYSA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001015695000 787187778 /nfs/dbraw/zinc/18/77/78/787187778.db2.gz DPVZJXJFTZTVGM-RHSMWYFYSA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1C(C)C ZINC001114263862 787190517 /nfs/dbraw/zinc/19/05/17/787190517.db2.gz ZUQXJYHGEITKGZ-XDNAFOTISA-N 1 3 321.509 2.342 20 0 DEADHO CC(C)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1C(C)C ZINC001114263862 787190521 /nfs/dbraw/zinc/19/05/21/787190521.db2.gz ZUQXJYHGEITKGZ-XDNAFOTISA-N 1 3 321.509 2.342 20 0 DEADHO Cc1cccc(CCC[NH2+]CCNC(=O)CN(C)C2CCC2)c1 ZINC001129531594 787221510 /nfs/dbraw/zinc/22/15/10/787221510.db2.gz ATFRBEZZYZUZRT-UHFFFAOYSA-N 1 3 317.477 2.118 20 0 DEADHO CCCc1ccc(C[NH2+]CCNC(=O)[C@@H](CC)N(C)C)cc1 ZINC001130203556 787313912 /nfs/dbraw/zinc/31/39/12/787313912.db2.gz PJUILISZRZGKRC-QGZVFWFLSA-N 1 3 305.466 2.185 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+][C@@H](C)c1ccc(Cl)cc1)N(C)C ZINC001130201104 787316934 /nfs/dbraw/zinc/31/69/34/787316934.db2.gz VGUFCEYBHZSDEC-SWLSCSKDSA-N 1 3 311.857 2.447 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CCCc1ccsc1 ZINC001130425363 787385583 /nfs/dbraw/zinc/38/55/83/787385583.db2.gz VQGZKCNLWUYDKC-UHFFFAOYSA-N 1 3 311.495 2.117 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCC1CC([NH2+]C/C=C/Cl)C1 ZINC001100320541 787436957 /nfs/dbraw/zinc/43/69/57/787436957.db2.gz HPORNLWPFSWLJS-MKLKXPCUSA-N 1 3 313.873 2.096 20 0 DEADHO CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C ZINC001133347769 788376875 /nfs/dbraw/zinc/37/68/75/788376875.db2.gz ZPQGUZMNELNKLY-DLBZAZTESA-N 1 3 309.498 2.367 20 0 DEADHO CC(C)[C@H](C(=O)NCC[NH2+]Cc1ccc(C2CC2)cc1)N(C)C ZINC001133419748 788409590 /nfs/dbraw/zinc/40/95/90/788409590.db2.gz WWOXJHCTSLHVFI-GOSISDBHSA-N 1 3 317.477 2.356 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC1CC1 ZINC001158923108 788526985 /nfs/dbraw/zinc/52/69/85/788526985.db2.gz NVLGGQZLJBKURE-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC1CC1 ZINC001158923108 788526995 /nfs/dbraw/zinc/52/69/95/788526995.db2.gz NVLGGQZLJBKURE-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]CC[C@@H]1CCCC1(F)F ZINC001133823396 788619864 /nfs/dbraw/zinc/61/98/64/788619864.db2.gz FJXQXHIJMHFBSE-KBPBESRZSA-N 1 3 317.424 2.002 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]Cc1ccccc1C1CC1 ZINC001133823306 788620243 /nfs/dbraw/zinc/62/02/43/788620243.db2.gz BKPDUACVBYEEOT-OAHLLOKOSA-N 1 3 315.461 2.254 20 0 DEADHO Cc1cccc([C@H](C)[NH2+]CCNC(=O)CN2CC[C@H](C)C2)c1 ZINC001133851121 788632322 /nfs/dbraw/zinc/63/23/22/788632322.db2.gz XGALVVUBXKVNLH-HOTGVXAUSA-N 1 3 303.450 2.104 20 0 DEADHO CC[C@H]([NH2+]CCNC(=O)CN1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC001133851006 788632749 /nfs/dbraw/zinc/63/27/49/788632749.db2.gz UQRPBYAXEXZYCD-PBHICJAKSA-N 1 3 321.440 2.324 20 0 DEADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCC[NH2+]CCCCCF)C1 ZINC001133856840 788640784 /nfs/dbraw/zinc/64/07/84/788640784.db2.gz SIUNMBKUJMHBON-INIZCTEOSA-N 1 3 319.440 2.045 20 0 DEADHO CC(C)CCC[NH2+]CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001133856599 788641385 /nfs/dbraw/zinc/64/13/85/788641385.db2.gz KRKQKGYSAVGPIN-KRWDZBQOSA-N 1 3 315.477 2.341 20 0 DEADHO C[C@@H]([NH2+]CCNC(=O)CN(C)CC(C)(C)C)c1ccccc1 ZINC001133908421 788667095 /nfs/dbraw/zinc/66/70/95/788667095.db2.gz QJNZEAGDPAEHPD-OAHLLOKOSA-N 1 3 305.466 2.431 20 0 DEADHO CCc1ccccc1C[NH2+]CCNC(=O)CN(C)CC(C)(C)C ZINC001133899738 788669603 /nfs/dbraw/zinc/66/96/03/788669603.db2.gz UWXILTVIEFXORG-UHFFFAOYSA-N 1 3 319.493 2.433 20 0 DEADHO C[C@@H](C[C@H](C)[NH2+]CCF)NC(=O)C(C)(C)N1CCCCC1 ZINC001134369882 788900855 /nfs/dbraw/zinc/90/08/55/788900855.db2.gz UFYDNBCTQWWDGU-KBPBESRZSA-N 1 3 301.450 2.093 20 0 DEADHO C[C@H](C[C@H](C)NC(=O)C1(N(C)C)CCC1)[NH2+]CCC(F)(F)F ZINC001134584965 788988595 /nfs/dbraw/zinc/98/85/95/788988595.db2.gz YHOCCUYKMYDARW-NEPJUHHUSA-N 1 3 323.403 2.296 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+]Cc1ccccc1C(C)C ZINC001135513092 789382442 /nfs/dbraw/zinc/38/24/42/789382442.db2.gz GPTYCPHDTDYTBQ-UHFFFAOYSA-N 1 3 305.466 2.358 20 0 DEADHO CCCCCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCOC ZINC001135690433 789449902 /nfs/dbraw/zinc/44/99/02/789449902.db2.gz HKOHYSIPICVFGL-JKSUJKDBSA-N 1 3 315.502 2.018 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC(F)(F)F ZINC001135747754 789476194 /nfs/dbraw/zinc/47/61/94/789476194.db2.gz UNXUHVIIPUYCBP-NWDGAFQWSA-N 1 3 311.392 2.154 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC(F)(F)F ZINC001136031840 789601574 /nfs/dbraw/zinc/60/15/74/789601574.db2.gz RCYYALKSEYVKGJ-VHSXEESVSA-N 1 3 320.359 2.086 20 0 DEADHO CC(C)=CCN1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001071994833 790002892 /nfs/dbraw/zinc/00/28/92/790002892.db2.gz HQHIEYMTQWANOG-HZPDHXFCSA-N 1 3 305.466 2.018 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCCCF ZINC001146590964 791317156 /nfs/dbraw/zinc/31/71/56/791317156.db2.gz FFTQHVGLNGNFTL-GJZGRUSLSA-N 1 3 303.466 2.339 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccsc1 ZINC001146602096 791321647 /nfs/dbraw/zinc/32/16/47/791321647.db2.gz RJXRQUYLZZRTNU-ZIAGYGMSSA-N 1 3 311.495 2.461 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC ZINC001098191485 791589510 /nfs/dbraw/zinc/58/95/10/791589510.db2.gz IDGOKVLUDWNETI-WCXIOVBPSA-N 1 3 307.482 2.382 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC ZINC001098191485 791589519 /nfs/dbraw/zinc/58/95/19/791589519.db2.gz IDGOKVLUDWNETI-WCXIOVBPSA-N 1 3 307.482 2.382 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC2=CCCCC2)C1 ZINC001098394557 791621952 /nfs/dbraw/zinc/62/19/52/791621952.db2.gz OQOJVFWXYQQNNH-TVFCKZIOSA-N 1 3 317.477 2.160 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC2=CCCCC2)C1 ZINC001098394557 791621955 /nfs/dbraw/zinc/62/19/55/791621955.db2.gz OQOJVFWXYQQNNH-TVFCKZIOSA-N 1 3 317.477 2.160 20 0 DEADHO Cc1cc(CNCCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)cs1 ZINC001147834439 791634205 /nfs/dbraw/zinc/63/42/05/791634205.db2.gz JDPPOONBNQOAMX-CVEARBPZSA-N 1 3 323.506 2.383 20 0 DEADHO CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@]2(C)C1 ZINC001091666633 791637782 /nfs/dbraw/zinc/63/77/82/791637782.db2.gz CRJCCBFZMKRCEH-RYRKJORJSA-N 1 3 307.482 2.050 20 0 DEADHO CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@]2(C)C1 ZINC001091666633 791637785 /nfs/dbraw/zinc/63/77/85/791637785.db2.gz CRJCCBFZMKRCEH-RYRKJORJSA-N 1 3 307.482 2.050 20 0 DEADHO C[NH+](C)CCCC(=O)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC001148174289 791704294 /nfs/dbraw/zinc/70/42/94/791704294.db2.gz GXOGIJGEWWSOFV-UHFFFAOYSA-N 1 3 321.490 2.124 20 0 DEADHO CC(C)(C)C(=O)Nc1ccc(CN)nc1NC[C@@H]1CCCC[NH2+]1 ZINC001171326942 791720405 /nfs/dbraw/zinc/72/04/05/791720405.db2.gz ACADLLGDMQWMDK-ZDUSSCGKSA-N 1 3 319.453 2.079 20 0 DEADHO CC(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001086946152 791858354 /nfs/dbraw/zinc/85/83/54/791858354.db2.gz RHLDYDYXHCGORP-OAHLLOKOSA-N 1 3 318.465 2.311 20 0 DEADHO CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001086946163 791858600 /nfs/dbraw/zinc/85/86/00/791858600.db2.gz RVNRXJBNCIVWEQ-HNNXBMFYSA-N 1 3 318.465 2.455 20 0 DEADHO CC(C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001099434117 792205559 /nfs/dbraw/zinc/20/55/59/792205559.db2.gz AJZNFSPSUOMILH-SCTDSRPQSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)N1CCN(CC[NH2+][C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171404023 792305551 /nfs/dbraw/zinc/30/55/51/792305551.db2.gz FAOKBJHQHDMPRK-QGZVFWFLSA-N 1 3 319.468 2.299 20 0 DEADHO CC[C@H](C(=O)NCC1CC([NH2+]Cc2csc(C)c2)C1)N(C)C ZINC001100443408 792656374 /nfs/dbraw/zinc/65/63/74/792656374.db2.gz FWYIHGRKNCORGI-AVVWSFFYSA-N 1 3 323.506 2.381 20 0 DEADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CC3CCCC3)[C@H](C)C2)C1 ZINC001094042183 792699450 /nfs/dbraw/zinc/69/94/50/792699450.db2.gz MXCVVVYUXOTCMY-LZLYRXPVSA-N 1 3 321.509 2.203 20 0 DEADHO CCC(CC)C[NH2+]C1CC(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001100678340 792784515 /nfs/dbraw/zinc/78/45/15/792784515.db2.gz HRNFRMNSYCFURM-ODIFPOPNSA-N 1 3 309.498 2.249 20 0 DEADHO CCCCCCN(C)CC(=O)NCC1CC([NH2+]CC2CC2)C1 ZINC001100765127 792831630 /nfs/dbraw/zinc/83/16/30/792831630.db2.gz UKWOHUCKNWPTLS-UHFFFAOYSA-N 1 3 309.498 2.393 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1CC([NH2+]C[C@@H](C)CC(C)C)C1 ZINC001100918109 792918276 /nfs/dbraw/zinc/91/82/76/792918276.db2.gz DVKPEQBDUMTDLI-JEYLPNPQSA-N 1 3 320.481 2.427 20 0 DEADHO CCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001101267829 793089914 /nfs/dbraw/zinc/08/99/14/793089914.db2.gz UMWJLQFKVLYTFL-AOIWGVFYSA-N 1 3 321.509 2.297 20 0 DEADHO CCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001101267829 793089919 /nfs/dbraw/zinc/08/99/19/793089919.db2.gz UMWJLQFKVLYTFL-AOIWGVFYSA-N 1 3 321.509 2.297 20 0 DEADHO CCOCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001171510118 793119342 /nfs/dbraw/zinc/11/93/42/793119342.db2.gz YMFDCAFCIKWJSH-HZPDHXFCSA-N 1 3 315.502 2.018 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1cccc(CC)c1 ZINC001171757594 793197616 /nfs/dbraw/zinc/19/76/16/793197616.db2.gz KNYAHQHUIINBBP-UHFFFAOYSA-N 1 3 305.466 2.187 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1sccc1Cl ZINC001171757304 793197868 /nfs/dbraw/zinc/19/78/68/793197868.db2.gz HZTMNOZLUAMZAR-UHFFFAOYSA-N 1 3 317.886 2.339 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@H](O)COc1ccccc1)C2 ZINC001172101881 793314131 /nfs/dbraw/zinc/31/41/31/793314131.db2.gz IBJFSOYXOLAEMK-YVSFHVDLSA-N 1 3 304.434 2.031 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@H](O)COc1ccccc1)C2 ZINC001172101881 793314142 /nfs/dbraw/zinc/31/41/42/793314142.db2.gz IBJFSOYXOLAEMK-YVSFHVDLSA-N 1 3 304.434 2.031 20 0 DEADHO CCNC(=O)OC1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172127983 793320788 /nfs/dbraw/zinc/32/07/88/793320788.db2.gz MSJJCUKDGSWXDF-QDMKHBRRSA-N 1 3 309.454 2.212 20 0 DEADHO CCNC(=O)OC1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172127983 793320800 /nfs/dbraw/zinc/32/08/00/793320800.db2.gz MSJJCUKDGSWXDF-QDMKHBRRSA-N 1 3 309.454 2.212 20 0 DEADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(c3cccnc3)CC1)C2 ZINC001172120998 793340236 /nfs/dbraw/zinc/34/02/36/793340236.db2.gz NTKUKKLXIYAXDY-VQFNDLOPSA-N 1 3 300.450 2.219 20 0 DEADHO CN1C(C)(C)CC([NH2+][C@H]2CCN3C(=O)CC[C@H]3C2)CC1(C)C ZINC001172156235 793352549 /nfs/dbraw/zinc/35/25/49/793352549.db2.gz OSQDDAMIUAKSGQ-ZFWWWQNUSA-N 1 3 307.482 2.381 20 0 DEADHO C(C1CCOCC1)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172223666 793368410 /nfs/dbraw/zinc/36/84/10/793368410.db2.gz TUGDTAHGUNFZDN-AYHJJNSGSA-N 1 3 308.466 2.177 20 0 DEADHO CC[N@H+]([C@@H]1CCOC1)C1CCN(C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172230015 793373825 /nfs/dbraw/zinc/37/38/25/793373825.db2.gz SIILUXDKGZDBPL-CSNJMZFVSA-N 1 3 308.466 2.272 20 0 DEADHO CC[N@@H+]([C@@H]1CCOC1)C1CCN(C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172230015 793373829 /nfs/dbraw/zinc/37/38/29/793373829.db2.gz SIILUXDKGZDBPL-CSNJMZFVSA-N 1 3 308.466 2.272 20 0 DEADHO CCOC(=O)CC1([NH3+])CCN([C@H](C)CCO[C@H](C)CC)CC1 ZINC001172337005 793409996 /nfs/dbraw/zinc/40/99/96/793409996.db2.gz JAILPNAOGWDJGP-HUUCEWRRSA-N 1 3 314.470 2.327 20 0 DEADHO CC[C@@H](CC(C)C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001172396266 793423670 /nfs/dbraw/zinc/42/36/70/793423670.db2.gz BVILECSZVPKWSC-OWSLCNJRSA-N 1 3 319.497 2.497 20 0 DEADHO CC[C@@H](CC(C)C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001172396266 793423675 /nfs/dbraw/zinc/42/36/75/793423675.db2.gz BVILECSZVPKWSC-OWSLCNJRSA-N 1 3 319.497 2.497 20 0 DEADHO CC[C@H](C)C[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001206170243 793462187 /nfs/dbraw/zinc/46/21/87/793462187.db2.gz ZJTPALNMYJGLKX-DOTOQJQBSA-N 1 3 311.514 2.447 20 0 DEADHO CCC[N@H+](CCCN)[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172664323 793473499 /nfs/dbraw/zinc/47/34/99/793473499.db2.gz VYYNZQVHFLCTPY-QGZVFWFLSA-N 1 3 303.450 2.238 20 0 DEADHO CCC[N@@H+](CCCN)[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172664323 793473501 /nfs/dbraw/zinc/47/35/01/793473501.db2.gz VYYNZQVHFLCTPY-QGZVFWFLSA-N 1 3 303.450 2.238 20 0 DEADHO CCC[N@H+](CCCN)[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172664322 793473660 /nfs/dbraw/zinc/47/36/60/793473660.db2.gz VYYNZQVHFLCTPY-KRWDZBQOSA-N 1 3 303.450 2.238 20 0 DEADHO CCC[N@@H+](CCCN)[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172664322 793473665 /nfs/dbraw/zinc/47/36/65/793473665.db2.gz VYYNZQVHFLCTPY-KRWDZBQOSA-N 1 3 303.450 2.238 20 0 DEADHO CN(CCC[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172667985 793474454 /nfs/dbraw/zinc/47/44/54/793474454.db2.gz KGLGPRUKYURKAJ-KRWDZBQOSA-N 1 3 303.450 2.061 20 0 DEADHO CN1CCC[C@H]1CC[NH2+][C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172673049 793478192 /nfs/dbraw/zinc/47/81/92/793478192.db2.gz WTDXRPBCASXWBG-MSOLQXFVSA-N 1 3 315.461 2.252 20 0 DEADHO C[N@@H+]1CCC[C@H]1CCN[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172673049 793478196 /nfs/dbraw/zinc/47/81/96/793478196.db2.gz WTDXRPBCASXWBG-MSOLQXFVSA-N 1 3 315.461 2.252 20 0 DEADHO C[N@H+]1CCC[C@H]1CCN[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172673049 793478199 /nfs/dbraw/zinc/47/81/99/793478199.db2.gz WTDXRPBCASXWBG-MSOLQXFVSA-N 1 3 315.461 2.252 20 0 DEADHO CC[N@@H+]1CCO[C@@H]2CN([C@@H]3Cc4ccc(Cl)cc4C3)C[C@@H]2C1 ZINC001172717222 793481015 /nfs/dbraw/zinc/48/10/15/793481015.db2.gz MSMDCMZOUKQQTP-CGTJXYLNSA-N 1 3 320.864 2.460 20 0 DEADHO CC[N@H+]1CCO[C@@H]2CN([C@@H]3Cc4ccc(Cl)cc4C3)C[C@@H]2C1 ZINC001172717222 793481019 /nfs/dbraw/zinc/48/10/19/793481019.db2.gz MSMDCMZOUKQQTP-CGTJXYLNSA-N 1 3 320.864 2.460 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@@H](CNC(=O)CN2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368457 793587551 /nfs/dbraw/zinc/58/75/51/793587551.db2.gz USQMYTSLMJONTD-IXDOHACOSA-N 1 3 307.482 2.121 20 0 DEADHO CC(C)=CC[N@H+]1C[C@@H](CNC(=O)CN2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368457 793587554 /nfs/dbraw/zinc/58/75/54/793587554.db2.gz USQMYTSLMJONTD-IXDOHACOSA-N 1 3 307.482 2.121 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C)N(C)C ZINC001102377987 793595463 /nfs/dbraw/zinc/59/54/63/793595463.db2.gz KTFQZUOGAMBRBB-OAGGEKHMSA-N 1 3 311.514 2.447 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C)N(C)C ZINC001102377987 793595468 /nfs/dbraw/zinc/59/54/68/793595468.db2.gz KTFQZUOGAMBRBB-OAGGEKHMSA-N 1 3 311.514 2.447 20 0 DEADHO CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CN(CCF)C[C@H]1C)C(C)C ZINC001102471966 793626920 /nfs/dbraw/zinc/62/69/20/793626920.db2.gz ADNUKPKZDSCAPU-OAGGEKHMSA-N 1 3 315.477 2.006 20 0 DEADHO CC[C@H]1CC[C@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)C1 ZINC001173281914 793676195 /nfs/dbraw/zinc/67/61/95/793676195.db2.gz VGXOFMBKBXJDPP-ADHGMGHFSA-N 1 3 317.481 2.251 20 0 DEADHO CC[C@H]1CC[C@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)C1 ZINC001173281914 793676198 /nfs/dbraw/zinc/67/61/98/793676198.db2.gz VGXOFMBKBXJDPP-ADHGMGHFSA-N 1 3 317.481 2.251 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001103113341 793945117 /nfs/dbraw/zinc/94/51/17/793945117.db2.gz GPKCXFZWLZXNCF-ZACQAIPSSA-N 1 3 311.514 2.303 20 0 DEADHO CC(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001103113341 793945122 /nfs/dbraw/zinc/94/51/22/793945122.db2.gz GPKCXFZWLZXNCF-ZACQAIPSSA-N 1 3 311.514 2.303 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@@H]1C[N@H+](CCCF)C[C@H]1C)N(C)C ZINC001103407453 794078378 /nfs/dbraw/zinc/07/83/78/794078378.db2.gz CYJMYCCIUJSRCD-BZUAXINKSA-N 1 3 315.477 2.006 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](CCCF)C[C@H]1C)N(C)C ZINC001103407453 794078387 /nfs/dbraw/zinc/07/83/87/794078387.db2.gz CYJMYCCIUJSRCD-BZUAXINKSA-N 1 3 315.477 2.006 20 0 DEADHO C[C@H](CCCC[NH2+]CCF)NC(=O)CN(C)CC(C)(C)C ZINC001175296412 794170045 /nfs/dbraw/zinc/17/00/45/794170045.db2.gz NYGQBZHLZKMWGC-CQSZACIVSA-N 1 3 303.466 2.198 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NCCC[NH2+]C/C=C\Cl ZINC001176953641 794539300 /nfs/dbraw/zinc/53/93/00/794539300.db2.gz PXZJWCVRUUEVDB-UITAMQMPSA-N 1 3 309.841 2.210 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[NH2+]CCCCC(F)(F)F ZINC001176971796 794543763 /nfs/dbraw/zinc/54/37/63/794543763.db2.gz IFTSAQFJKXZEJG-UHFFFAOYSA-N 1 3 311.392 2.155 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176980871 794547704 /nfs/dbraw/zinc/54/77/04/794547704.db2.gz UMZUQHOBJJFJOH-UHFFFAOYSA-N 1 3 309.429 2.070 20 0 DEADHO CC[C@@H](F)C[NH2+]CCCCCCNC(=O)CN(C)C1CCC1 ZINC001178705105 794982093 /nfs/dbraw/zinc/98/20/93/794982093.db2.gz DVCCQNSPUHGHSC-OAHLLOKOSA-N 1 3 315.477 2.485 20 0 DEADHO C[C@H]1CCc2nc(CNCCC[N@H+](C)CCN(C)C)sc2C1 ZINC001118845095 795233032 /nfs/dbraw/zinc/23/30/32/795233032.db2.gz SCDGIPWSHJAPMS-AWEZNQCLSA-N 1 3 324.538 2.241 20 0 DEADHO C[C@H]1CCc2nc(CNCCC[N@@H+](C)CCN(C)C)sc2C1 ZINC001118845095 795233035 /nfs/dbraw/zinc/23/30/35/795233035.db2.gz SCDGIPWSHJAPMS-AWEZNQCLSA-N 1 3 324.538 2.241 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)[C@@H]1C ZINC001180226848 795260278 /nfs/dbraw/zinc/26/02/78/795260278.db2.gz PCBIEFWDUFWPMP-HOCLYGCPSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)N(C)CC(=O)NCCCCCC[NH2+]C/C=C/Cl ZINC001180369712 795292992 /nfs/dbraw/zinc/29/29/92/795292992.db2.gz UFGHFDIVBSUCNY-CMDGGOBGSA-N 1 3 303.878 2.345 20 0 DEADHO CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCN2CCC)C[C@H]1C ZINC001181671873 795519087 /nfs/dbraw/zinc/51/90/87/795519087.db2.gz RWBXPQGBSAJWNT-SOLBZPMBSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@@]1(C)C[NH2+]CC1CCC1 ZINC001181755327 795533619 /nfs/dbraw/zinc/53/36/19/795533619.db2.gz NJPJDTLUHBGZFM-LSBZLQRGSA-N 1 3 321.509 2.201 20 0 DEADHO CN1CCC(N(C(=O)[C@H]2C[NH+]3CCC2CC3)C2CCCC2)CC1 ZINC001182011978 795594038 /nfs/dbraw/zinc/59/40/38/795594038.db2.gz LAXWYBVMRNPXPW-SFHVURJKSA-N 1 3 319.493 2.194 20 0 DEADHO CCN(CC)CC(=O)NC1CC2(C1)CC([NH2+]CC1CC(C)C1)C2 ZINC001121935045 795707157 /nfs/dbraw/zinc/70/71/57/795707157.db2.gz FBGPWZBAUDXUHB-UHFFFAOYSA-N 1 3 321.509 2.391 20 0 DEADHO CC(C)CCC[NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001182740278 795745995 /nfs/dbraw/zinc/74/59/95/795745995.db2.gz AJNQDLMUUBGFAK-CRAIPNDOSA-N 1 3 320.481 2.463 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC(C)C)C1 ZINC001182934485 795787343 /nfs/dbraw/zinc/78/73/43/795787343.db2.gz YAASUAKGTNWKKF-SJLPKXTDSA-N 1 3 311.514 2.449 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C[C@H](C)CC)C1 ZINC001183228860 795828899 /nfs/dbraw/zinc/82/88/99/795828899.db2.gz XSSQUQJNNAOPKD-JFIYKMOQSA-N 1 3 311.514 2.449 20 0 DEADHO C[NH+](C)C1(CC(=O)N2CC[C@@H](NC/C=C\Cl)C2)CCCC1 ZINC001184628575 796095808 /nfs/dbraw/zinc/09/58/08/796095808.db2.gz MEPPBVDIUPYRMJ-VYLZPFMQSA-N 1 3 313.873 2.194 20 0 DEADHO COC(=O)c1ccccc1CN1CCC2(C1)CC[NH+](C)CC2 ZINC001137790288 796139980 /nfs/dbraw/zinc/13/99/80/796139980.db2.gz MHQAOKHSEUFLPT-UHFFFAOYSA-N 1 3 302.418 2.391 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001185171309 796202362 /nfs/dbraw/zinc/20/23/62/796202362.db2.gz VYTSSVURDBODLM-SJORKVTESA-N 1 3 323.525 2.449 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H](C[NH2+]CCC2CC2)[C@H](C)C1 ZINC001185348813 796236203 /nfs/dbraw/zinc/23/62/03/796236203.db2.gz SKXKBQHQFLPWGH-NVXWUHKLSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)CCC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001185676336 796308167 /nfs/dbraw/zinc/30/81/67/796308167.db2.gz VNCDHSYLKOBPLH-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]C/C=C/Cl)[C@H](C)C1 ZINC001185753356 796316766 /nfs/dbraw/zinc/31/67/66/796316766.db2.gz XRGSWBSKFXTZNT-ZWXLGZMVSA-N 1 3 315.889 2.153 20 0 DEADHO Nc1ncc(CN2CCC(COCC[NH+]3CCCC3)CC2)s1 ZINC001139224532 796343192 /nfs/dbraw/zinc/34/31/92/796343192.db2.gz AVCOZAFONOZTQM-UHFFFAOYSA-N 1 3 324.494 2.050 20 0 DEADHO CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C12CCC2 ZINC001203026980 796513131 /nfs/dbraw/zinc/51/31/31/796513131.db2.gz BFJBYNFYAIWNOJ-IRXDYDNUSA-N 1 3 319.493 2.454 20 0 DEADHO CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203030567 796516728 /nfs/dbraw/zinc/51/67/28/796516728.db2.gz ZVCLMHDFDDSLSN-HOTGVXAUSA-N 1 3 319.493 2.454 20 0 DEADHO CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001188139030 796631127 /nfs/dbraw/zinc/63/11/27/796631127.db2.gz GGXBBSXXTICUMV-WBXGCANISA-N 1 3 307.482 2.408 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCCCF)C1 ZINC001188138845 796631191 /nfs/dbraw/zinc/63/11/91/796631191.db2.gz FAXBJCSHVJAHIR-CVEARBPZSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001188145073 796632682 /nfs/dbraw/zinc/63/26/82/796632682.db2.gz CPZZZIQURRNUIL-RUJXFNLJSA-N 1 3 315.461 2.231 20 0 DEADHO CN(C/C=C\Cl)[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191162990 797149387 /nfs/dbraw/zinc/14/93/87/797149387.db2.gz SSCSSXRCRUKBHT-FWWGQDLDSA-N 1 3 318.808 2.233 20 0 DEADHO CC(C)N(C)CC(=O)NCC[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001152432860 797186791 /nfs/dbraw/zinc/18/67/91/797186791.db2.gz NXORHGOECBYIST-OAHLLOKOSA-N 1 3 317.477 2.282 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]C/C=C/c1ccccc1 ZINC001152445680 797188098 /nfs/dbraw/zinc/18/80/98/797188098.db2.gz MQOFJXWNNIOIBZ-VEGGFIAOSA-N 1 3 315.461 2.280 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001152459077 797191181 /nfs/dbraw/zinc/19/11/81/797191181.db2.gz YEDPJZQFRVMSNZ-PBHICJAKSA-N 1 3 321.440 2.467 20 0 DEADHO CCN(Cc1ccsc1)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153490876 797344568 /nfs/dbraw/zinc/34/45/68/797344568.db2.gz FNGNFHIQWOXMCD-IIAWOOMASA-N 1 3 323.506 2.415 20 0 DEADHO CCN(Cc1ccsc1)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153490876 797344574 /nfs/dbraw/zinc/34/45/74/797344574.db2.gz FNGNFHIQWOXMCD-IIAWOOMASA-N 1 3 323.506 2.415 20 0 DEADHO CC(C)CCC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001192343451 797366012 /nfs/dbraw/zinc/36/60/12/797366012.db2.gz PFGCTCZAFUCFBJ-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001192343451 797366022 /nfs/dbraw/zinc/36/60/22/797366022.db2.gz PFGCTCZAFUCFBJ-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CCC[N@H+](C)[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001192353176 797370452 /nfs/dbraw/zinc/37/04/52/797370452.db2.gz BGHOFEVXLYACSA-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CCC[N@@H+](C)[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001192353176 797370456 /nfs/dbraw/zinc/37/04/56/797370456.db2.gz BGHOFEVXLYACSA-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC001193291860 797539247 /nfs/dbraw/zinc/53/92/47/797539247.db2.gz IKVXEBZGQKYBFR-KRWDZBQOSA-N 1 3 321.440 2.200 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC001193291860 797539253 /nfs/dbraw/zinc/53/92/53/797539253.db2.gz IKVXEBZGQKYBFR-KRWDZBQOSA-N 1 3 321.440 2.200 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)CC2CC3(CCC3)C2)C1 ZINC001193642994 797600074 /nfs/dbraw/zinc/60/00/74/797600074.db2.gz PDVNTWHYYUWCHU-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)CC2CC3(CCC3)C2)C1 ZINC001193642994 797600079 /nfs/dbraw/zinc/60/00/79/797600079.db2.gz PDVNTWHYYUWCHU-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@]1(O)CC[C@@H](Nc2cccc(N3CCC([NH3+])CC3)n2)CC1 ZINC001154954519 797646434 /nfs/dbraw/zinc/64/64/34/797646434.db2.gz PGOSYZFNIKOTEH-CZIWCDLHSA-N 1 3 304.438 2.115 20 0 DEADHO C[N@H+](CCCC(C)(C)C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194037349 797666488 /nfs/dbraw/zinc/66/64/88/797666488.db2.gz FZFNZMHVOUZLOI-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO C[N@@H+](CCCC(C)(C)C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194037349 797666490 /nfs/dbraw/zinc/66/64/90/797666490.db2.gz FZFNZMHVOUZLOI-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[N@H+](CCCCCF)CC1)C1CC1 ZINC001196162812 798014752 /nfs/dbraw/zinc/01/47/52/798014752.db2.gz AQYVCTPHZHEARG-MRXNPFEDSA-N 1 3 313.461 2.001 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[N@@H+](CCCCCF)CC1)C1CC1 ZINC001196162812 798014758 /nfs/dbraw/zinc/01/47/58/798014758.db2.gz AQYVCTPHZHEARG-MRXNPFEDSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@H]1c2ccccc2CCN1C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001157694557 798261124 /nfs/dbraw/zinc/26/11/24/798261124.db2.gz UWEVBISEHIJLPN-YOEHRIQHSA-N 1 3 303.450 2.192 20 0 DEADHO CC1(C)C[C@@H](Nc2ncc3c(n2)CCNC3)C[C@](C)(C[NH3+])C1 ZINC001158269550 798371217 /nfs/dbraw/zinc/37/12/17/798371217.db2.gz SCAOPKKNMFBSKV-DYVFJYSZSA-N 1 3 303.454 2.078 20 0 DEADHO C[NH2+]Cc1ccc(C(=O)N2C[C@H]3c4ccccc4CN[C@@H]3C2)cc1 ZINC001158335219 798386954 /nfs/dbraw/zinc/38/69/54/798386954.db2.gz OKHGLXWHIYTEKO-RBUKOAKNSA-N 1 3 321.424 2.117 20 0 DEADHO CCCCN[C@H](CNC(=O)CC[NH+](C)C)c1ccccc1OC ZINC001198885121 798413729 /nfs/dbraw/zinc/41/37/29/798413729.db2.gz AZODHDGZKKWUCR-MRXNPFEDSA-N 1 3 321.465 2.194 20 0 DEADHO CCC[NH2+][C@H](CNC(=O)CN(C)CCC)c1ccccc1OC ZINC001198967348 798421541 /nfs/dbraw/zinc/42/15/41/798421541.db2.gz DJTLVAPXLRXHIF-MRXNPFEDSA-N 1 3 321.465 2.194 20 0 DEADHO CC(C)c1ccnc(N(C2CC[NH2+]CC2)C2CCN(C)CC2)n1 ZINC001158580268 798432864 /nfs/dbraw/zinc/43/28/64/798432864.db2.gz ADVZACOXBKPTQC-UHFFFAOYSA-N 1 3 317.481 2.253 20 0 DEADHO CN1CCC(N(c2ccc(C3CC3)nn2)C2CC[NH2+]CC2)CC1 ZINC001158580266 798433342 /nfs/dbraw/zinc/43/33/42/798433342.db2.gz ABSDGDFLLBBWBF-UHFFFAOYSA-N 1 3 315.465 2.007 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC001203925821 798438085 /nfs/dbraw/zinc/43/80/85/798438085.db2.gz VNRNHOUUPUAEQA-UHFFFAOYSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1cccc(C[NH2+]C2CCN(C(=O)CN(C)C(C)C)CC2)c1 ZINC001203925440 798439342 /nfs/dbraw/zinc/43/93/42/798439342.db2.gz NUQDNMXUXJZBRE-UHFFFAOYSA-N 1 3 317.477 2.416 20 0 DEADHO CCN(CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC[C@@H](C)F ZINC001158625598 798439900 /nfs/dbraw/zinc/43/99/00/798439900.db2.gz QXRSBXPRVQQXEX-HZPDHXFCSA-N 1 3 315.477 2.389 20 0 DEADHO CCN(CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC[C@@H](C)F ZINC001158625598 798439902 /nfs/dbraw/zinc/43/99/02/798439902.db2.gz QXRSBXPRVQQXEX-HZPDHXFCSA-N 1 3 315.477 2.389 20 0 DEADHO CC(C)=CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001159580861 798583787 /nfs/dbraw/zinc/58/37/87/798583787.db2.gz CYPSKFPMEBRTSB-QGZVFWFLSA-N 1 3 305.466 2.185 20 0 DEADHO CC(C)=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001159580861 798583789 /nfs/dbraw/zinc/58/37/89/798583789.db2.gz CYPSKFPMEBRTSB-QGZVFWFLSA-N 1 3 305.466 2.185 20 0 DEADHO CN1CCC[C@@H]1C(=O)NCCC1=CC[N@H+](CC2CCC2)CC1 ZINC001159628209 798590735 /nfs/dbraw/zinc/59/07/35/798590735.db2.gz FPKUZLUSZVAWKG-QGZVFWFLSA-N 1 3 305.466 2.019 20 0 DEADHO CN1CCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CC2CCC2)CC1 ZINC001159628209 798590736 /nfs/dbraw/zinc/59/07/36/798590736.db2.gz FPKUZLUSZVAWKG-QGZVFWFLSA-N 1 3 305.466 2.019 20 0 DEADHO CN(C)C1(C(=O)NCCC[NH2+]CCCc2ccsc2)CCC1 ZINC001159853277 798618753 /nfs/dbraw/zinc/61/87/53/798618753.db2.gz BOSRXFMZPANIJD-UHFFFAOYSA-N 1 3 323.506 2.261 20 0 DEADHO CCc1ccc(C[NH2+]CCCNC(=O)[C@H](C2CC2)N(C)C)cc1 ZINC001159931474 798628295 /nfs/dbraw/zinc/62/82/95/798628295.db2.gz DJUZMGARTWIYTQ-SFHVURJKSA-N 1 3 317.477 2.185 20 0 DEADHO CN(CC(=O)NCCC[NH2+]C/C=C/c1ccccc1)C1CCC1 ZINC001159992122 798637818 /nfs/dbraw/zinc/63/78/18/798637818.db2.gz HNCWNUNODWSWGO-UXBLZVDNSA-N 1 3 315.461 2.280 20 0 DEADHO C[C@H]([NH2+]CCCNC(=O)CN(C)C1CCC1)c1ccc(F)cc1 ZINC001160003097 798639001 /nfs/dbraw/zinc/63/90/01/798639001.db2.gz CRCYZALWNCOPPF-AWEZNQCLSA-N 1 3 321.440 2.467 20 0 DEADHO CN(C)C1(C(=O)N2CCC([NH2+]CCCCCF)CC2)CCC1 ZINC001201038244 798709187 /nfs/dbraw/zinc/70/91/87/798709187.db2.gz WTAJJWGVPWESCG-UHFFFAOYSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]CCCCCF)CC1)N(C)C ZINC001201149839 798716539 /nfs/dbraw/zinc/71/65/39/798716539.db2.gz MLBNSQQYDLTAKQ-INIZCTEOSA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001160883808 798755187 /nfs/dbraw/zinc/75/51/87/798755187.db2.gz VSVFXWFBGXDQQU-MRXNPFEDSA-N 1 3 309.429 2.092 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+]Cc1cc2ccccc2o1)N(C)C ZINC001160883251 798755326 /nfs/dbraw/zinc/75/53/26/798755326.db2.gz IVNXUMOUPFDCMH-MRXNPFEDSA-N 1 3 317.433 2.369 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+][C@@H]1CCc2c1cccc2F)N(C)C ZINC001160889512 798756398 /nfs/dbraw/zinc/75/63/98/798756398.db2.gz LLNZVZKCLVGPBD-IAGOWNOFSA-N 1 3 321.440 2.249 20 0 DEADHO COc1cc(Nc2cc[nH+]c(N3CCN(C)CC3)c2)ncc1C ZINC001201658925 798786243 /nfs/dbraw/zinc/78/62/43/798786243.db2.gz NFILINDVTCDMDW-UHFFFAOYSA-N 1 3 313.405 2.289 20 0 DEADHO CCC[C@H](N)C(=O)N(Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001161279528 798820102 /nfs/dbraw/zinc/82/01/02/798820102.db2.gz HKARHRWZCFSXPB-KRWDZBQOSA-N 1 3 321.440 2.342 20 0 DEADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](CCC(C)(C)C)CC[C@@H]21 ZINC001202078131 798828957 /nfs/dbraw/zinc/82/89/57/798828957.db2.gz QQZQPYCBCYFGTR-PMPSAXMXSA-N 1 3 305.470 2.109 20 0 DEADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](CCC(C)(C)C)CC[C@@H]21 ZINC001202078131 798828962 /nfs/dbraw/zinc/82/89/62/798828962.db2.gz QQZQPYCBCYFGTR-PMPSAXMXSA-N 1 3 305.470 2.109 20 0 DEADHO CC(C)(C)[C@@H](N)C(=O)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161425189 798853831 /nfs/dbraw/zinc/85/38/31/798853831.db2.gz UYCGBTOQGASZDH-INIZCTEOSA-N 1 3 303.450 2.141 20 0 DEADHO Cc1cccc(CCC(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)c1 ZINC001161445124 798860395 /nfs/dbraw/zinc/86/03/95/798860395.db2.gz OBCQREBAAUHFJT-SFHVURJKSA-N 1 3 317.477 2.070 20 0 DEADHO CC(C)n1cncc1CNc1cccc(N2CCC([NH3+])CC2)n1 ZINC001161569119 798888034 /nfs/dbraw/zinc/88/80/34/798888034.db2.gz IGIXVXDQKGAXPB-UHFFFAOYSA-N 1 3 314.437 2.399 20 0 DEADHO CN1CCN(CCCNc2cccc(C3=[NH+]CCC3)c2)CC1 ZINC001161710609 798920695 /nfs/dbraw/zinc/92/06/95/798920695.db2.gz TZPQCIDAXROEGS-UHFFFAOYSA-N 1 3 300.450 2.319 20 0 DEADHO CC(C)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)N(C)C ZINC001114442473 799113203 /nfs/dbraw/zinc/11/32/03/799113203.db2.gz ICQYGQBWSJOVAH-HZMVEIRTSA-N 1 3 309.498 2.055 20 0 DEADHO CC(C)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)N(C)C ZINC001114442473 799113206 /nfs/dbraw/zinc/11/32/06/799113206.db2.gz ICQYGQBWSJOVAH-HZMVEIRTSA-N 1 3 309.498 2.055 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)CC[NH2+]CC1CC1 ZINC000717142503 799234791 /nfs/dbraw/zinc/23/47/91/799234791.db2.gz IJPZNPPROGCKCD-OAHLLOKOSA-N 1 3 303.450 2.013 20 0 DEADHO CCOc1cc(Cl)nc(NC(=[NH2+])NCCN(CC)CC)c1 ZINC001163127007 799253363 /nfs/dbraw/zinc/25/33/63/799253363.db2.gz WVHYOZCRDSDLHC-UHFFFAOYSA-N 1 3 313.833 2.412 20 0 DEADHO CC[NH+](CC)CCCN1CCN(CCC2CCOCC2)CC1 ZINC001202664569 799353130 /nfs/dbraw/zinc/35/31/30/799353130.db2.gz RSZPFTOOKHUHES-UHFFFAOYSA-N 1 3 311.514 2.153 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(C)C ZINC001095667915 799687894 /nfs/dbraw/zinc/68/78/94/799687894.db2.gz CNLHJVIXMKLPCD-VSZNYVQBSA-N 1 3 321.509 2.484 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(C)C ZINC001095667915 799687899 /nfs/dbraw/zinc/68/78/99/799687899.db2.gz CNLHJVIXMKLPCD-VSZNYVQBSA-N 1 3 321.509 2.484 20 0 DEADHO Cc1cccc(C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001166004592 799811837 /nfs/dbraw/zinc/81/18/37/799811837.db2.gz SYBSQPUSTGDNJN-QGZVFWFLSA-N 1 3 305.466 2.177 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1cc(C)cc(C)c1)N(C)C ZINC001166852186 799965402 /nfs/dbraw/zinc/96/54/02/799965402.db2.gz NKXWFZXFRYSZKE-KRWDZBQOSA-N 1 3 305.466 2.240 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1cc(C)ccc1C)N(C)C ZINC001166866800 799969181 /nfs/dbraw/zinc/96/91/81/799969181.db2.gz UXCJMJGZNWVITF-KRWDZBQOSA-N 1 3 305.466 2.240 20 0 DEADHO CC(C)[C@H](C(=O)NCCC1(C[NH2+]CC2CCC2)CC1)N(C)C ZINC001167045025 800015103 /nfs/dbraw/zinc/01/51/03/800015103.db2.gz QOEOUQQFRXJNJH-MRXNPFEDSA-N 1 3 309.498 2.249 20 0 DEADHO C[NH+](C)CCCOc1ccc(CN2CC[C@H]3OCC[C@H]32)cc1 ZINC001204263258 800195733 /nfs/dbraw/zinc/19/57/33/800195733.db2.gz JEYMUPAXZUSCDH-QZTJIDSGSA-N 1 3 304.434 2.380 20 0 DEADHO CN(c1ccc(CN2CCN(C)CC2)cc1)c1cc(N)cc[nH+]1 ZINC001204740239 800251684 /nfs/dbraw/zinc/25/16/84/800251684.db2.gz CMIAJNKBYQXPMJ-UHFFFAOYSA-N 1 3 311.433 2.179 20 0 DEADHO CCOC(=O)c1ccc2c(CN3C[C@H](C)[C@H](C[NH3+])C3)c[nH]c2c1 ZINC001205155822 800306475 /nfs/dbraw/zinc/30/64/75/800306475.db2.gz FZBQBVSPEFKQRA-GXTWGEPZSA-N 1 3 315.417 2.371 20 0 DEADHO [NH3+]C[C@]1(O)CCCN(Cc2cc3cccnc3cc2F)CC1 ZINC001205231138 800325879 /nfs/dbraw/zinc/32/58/79/800325879.db2.gz WYTMKJXMXKZLOJ-KRWDZBQOSA-N 1 3 303.381 2.050 20 0 DEADHO C[C@]1([NH3+])CCCN(Cc2ccccc2N2CCC(O)CC2)CC1 ZINC001205274297 800335908 /nfs/dbraw/zinc/33/59/08/800335908.db2.gz UWZGSWHEHFGYBH-IBGZPJMESA-N 1 3 317.477 2.351 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000934492167 800371882 /nfs/dbraw/zinc/37/18/82/800371882.db2.gz KNHYIVOTTXTSRK-MRXNPFEDSA-N 1 3 307.438 2.043 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC(C[NH2+]CCC2CC2)CC1 ZINC001205548503 800373796 /nfs/dbraw/zinc/37/37/96/800373796.db2.gz CWDVIGNSXSPGBU-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO COc1cc(CN2CCC[C@@](F)(C[NH3+])CC2)cc(F)c1OC ZINC001205558875 800377252 /nfs/dbraw/zinc/37/72/52/800377252.db2.gz KUUNEPXXGJNXTI-INIZCTEOSA-N 1 3 314.376 2.496 20 0 DEADHO C[C@@H]1CCN(Cc2cc(F)cc3c2OCOC3)CC[C@@H]1C[NH3+] ZINC001205625656 800388506 /nfs/dbraw/zinc/38/85/06/800388506.db2.gz CFHRUFXKEIAUST-CHWSQXEVSA-N 1 3 308.397 2.499 20 0 DEADHO C[C@H]1CN(Cc2cn(C)nc2C(F)(F)F)CCC[C@H]1C[NH3+] ZINC001206011165 800458538 /nfs/dbraw/zinc/45/85/38/800458538.db2.gz AJJHFDUCSOXULD-QWRGUYRKSA-N 1 3 304.360 2.246 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC(C[NH2+]CCC2CC2)CC1)N(C)C ZINC001206168958 800482724 /nfs/dbraw/zinc/48/27/24/800482724.db2.gz INFVVNHKTILHPY-QGZVFWFLSA-N 1 3 309.498 2.201 20 0 DEADHO COc1nc(OC)c(CN2CCC[C@@](C)(C[NH3+])CC2)cc1C ZINC001206335655 800511217 /nfs/dbraw/zinc/51/12/17/800511217.db2.gz HONZFLLYQTWXMS-QGZVFWFLSA-N 1 3 307.438 2.358 20 0 DEADHO CN1CC[C@@H](NC(=O)CC[NH2+]C(C)(C)C)[C@H]1c1ccccc1 ZINC000935117560 800565289 /nfs/dbraw/zinc/56/52/89/800565289.db2.gz GNDWRZIVZAXXPO-NVXWUHKLSA-N 1 3 303.450 2.326 20 0 DEADHO CCN1C[C@@H]2C[NH+](C[C@H]3CCN(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC001207217304 800712018 /nfs/dbraw/zinc/71/20/18/800712018.db2.gz XIJDCCRRYANYJO-BZUAXINKSA-N 1 3 323.481 2.127 20 0 DEADHO CC/C=C\CCC[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001208133194 800918163 /nfs/dbraw/zinc/91/81/63/800918163.db2.gz PRYRYQDVKLSHFW-PSCHKXTESA-N 1 3 317.481 2.419 20 0 DEADHO CC/C=C\CCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001208133194 800918172 /nfs/dbraw/zinc/91/81/72/800918172.db2.gz PRYRYQDVKLSHFW-PSCHKXTESA-N 1 3 317.481 2.419 20 0 DEADHO CN(C)CC1(C[NH+]2CCC(C)(N3CCOCC3)CC2)CCCC1 ZINC001208186825 800925290 /nfs/dbraw/zinc/92/52/90/800925290.db2.gz ZNPLHTFHZUUTRS-UHFFFAOYSA-N 1 3 323.525 2.295 20 0 DEADHO CN(C)CC1(C[N@@H+]2CC[C@H](Oc3ncc(F)cn3)C2)CCCC1 ZINC001208188682 800927350 /nfs/dbraw/zinc/92/73/50/800927350.db2.gz MXRURAOOKADEMZ-HNNXBMFYSA-N 1 3 322.428 2.191 20 0 DEADHO CN(C)CC1(C[N@H+]2CC[C@H](Oc3ncc(F)cn3)C2)CCCC1 ZINC001208188682 800927357 /nfs/dbraw/zinc/92/73/57/800927357.db2.gz MXRURAOOKADEMZ-HNNXBMFYSA-N 1 3 322.428 2.191 20 0 DEADHO CN(C)CC1(C[NH+]2CCC(N3CCCOC3=O)CC2)CCCC1 ZINC001208188266 800927427 /nfs/dbraw/zinc/92/74/27/800927427.db2.gz UVGUDFKFWFRFLT-UHFFFAOYSA-N 1 3 323.481 2.415 20 0 DEADHO CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001208530282 801005338 /nfs/dbraw/zinc/00/53/38/801005338.db2.gz NOYAYVRXTVXPPO-BRWVUGGUSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001208530282 801005343 /nfs/dbraw/zinc/00/53/43/801005343.db2.gz NOYAYVRXTVXPPO-BRWVUGGUSA-N 1 3 311.514 2.445 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C)N(CC)CC ZINC001208575592 801015688 /nfs/dbraw/zinc/01/56/88/801015688.db2.gz QVLTXTCSPUMKNF-DJIMGWMZSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C)N(CC)CC ZINC001208575592 801015693 /nfs/dbraw/zinc/01/56/93/801015693.db2.gz QVLTXTCSPUMKNF-DJIMGWMZSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N1CCOC[C@@]2(CCC[N@H+](C[C@H]3CCCN(C)C3)C2)C1 ZINC001208606113 801027685 /nfs/dbraw/zinc/02/76/85/801027685.db2.gz CMWWJKQAJOZXPL-RBUKOAKNSA-N 1 3 323.525 2.151 20 0 DEADHO CC(C)N1CCOC[C@@]2(CCC[N@@H+](C[C@H]3CCCN(C)C3)C2)C1 ZINC001208606113 801027687 /nfs/dbraw/zinc/02/76/87/801027687.db2.gz CMWWJKQAJOZXPL-RBUKOAKNSA-N 1 3 323.525 2.151 20 0 DEADHO CN1CCC[C@H](C[NH+]2C[C@@H]3CN(Cc4cccs4)C[C@H]3C2)C1 ZINC001208606662 801027828 /nfs/dbraw/zinc/02/78/28/801027828.db2.gz GFMQZVHVUNGCIC-GVDBMIGSSA-N 1 3 319.518 2.454 20 0 DEADHO c1ccc(C[NH+]2C[C@H]3CN(CCCC4OCCO4)C[C@@H]3C2)cc1 ZINC001209313433 801169430 /nfs/dbraw/zinc/16/94/30/801169430.db2.gz TZFVVXRTIAHULF-QZTJIDSGSA-N 1 3 316.445 2.203 20 0 DEADHO C[NH+](C)CCCC(=O)N1CCC[C@@H](NCC=C(Cl)Cl)C1 ZINC001209323256 801170172 /nfs/dbraw/zinc/17/01/72/801170172.db2.gz GLYQZUMJCRGVGN-GFCCVEGCSA-N 1 3 322.280 2.228 20 0 DEADHO CC(=O)N1CCCC[C@]12CC[N@H+](CCCN1CCCCC1)C2 ZINC001209448550 801193151 /nfs/dbraw/zinc/19/31/51/801193151.db2.gz BRWVVSGOPKJRQR-GOSISDBHSA-N 1 3 307.482 2.339 20 0 DEADHO CC(=O)N1CCCC[C@]12CC[N@@H+](CCCN1CCCCC1)C2 ZINC001209448550 801193154 /nfs/dbraw/zinc/19/31/54/801193154.db2.gz BRWVVSGOPKJRQR-GOSISDBHSA-N 1 3 307.482 2.339 20 0 DEADHO CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CN(CCCF)C[C@H]1C)C(C)C ZINC001209585984 801226920 /nfs/dbraw/zinc/22/69/20/801226920.db2.gz ULSQCDGRIOERDG-BZUAXINKSA-N 1 3 315.477 2.149 20 0 DEADHO CCC(CC)C[NH2+][C@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001209631255 801239069 /nfs/dbraw/zinc/23/90/69/801239069.db2.gz DTHVVFVKFHFMBS-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001209633446 801239751 /nfs/dbraw/zinc/23/97/51/801239751.db2.gz VIFXOPRPGYMAKJ-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CN(CC(=O)NC1CC[NH+](CC2CCC2)CC1)CC(C)(C)C ZINC001229214926 801242367 /nfs/dbraw/zinc/24/23/67/801242367.db2.gz LIMHLPKQCDXFHW-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001229523610 801289097 /nfs/dbraw/zinc/28/90/97/801289097.db2.gz HOFNGIAZLYXDLJ-HUUCEWRRSA-N 1 3 324.494 2.002 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001229523610 801289102 /nfs/dbraw/zinc/28/91/02/801289102.db2.gz HOFNGIAZLYXDLJ-HUUCEWRRSA-N 1 3 324.494 2.002 20 0 DEADHO CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001229939640 801339974 /nfs/dbraw/zinc/33/99/74/801339974.db2.gz HRCOLIWWJDOZPE-HUUCEWRRSA-N 1 3 306.454 2.468 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001210221303 801353672 /nfs/dbraw/zinc/35/36/72/801353672.db2.gz ZLAALRBTABZGKL-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2csc(C)c2)C1 ZINC001210228370 801354619 /nfs/dbraw/zinc/35/46/19/801354619.db2.gz IBUUNEHBXGUNEG-MRXNPFEDSA-N 1 3 323.506 2.479 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cncs1 ZINC001230284655 801380462 /nfs/dbraw/zinc/38/04/62/801380462.db2.gz PJCZLECHNUQHJI-HUUCEWRRSA-N 1 3 324.494 2.000 20 0 DEADHO CCOC(=O)c1ccc(CCC[N@@H+]2CCN[C@H](C)CC2)cc1 ZINC001210476333 801408734 /nfs/dbraw/zinc/40/87/34/801408734.db2.gz UYXXXBWAMXUCRT-OAHLLOKOSA-N 1 3 304.434 2.480 20 0 DEADHO CCOC(=O)c1ccc(CCC[N@H+]2CCN[C@H](C)CC2)cc1 ZINC001210476333 801408740 /nfs/dbraw/zinc/40/87/40/801408740.db2.gz UYXXXBWAMXUCRT-OAHLLOKOSA-N 1 3 304.434 2.480 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001210811299 801468401 /nfs/dbraw/zinc/46/84/01/801468401.db2.gz LCGVAGYLEWAUPH-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO Cc1cc(C[NH2+][C@H]2CCCN(C(=O)CN(C)C(C)C)C2)cs1 ZINC001211287086 801542916 /nfs/dbraw/zinc/54/29/16/801542916.db2.gz ZAEMWLYCYGBJOK-INIZCTEOSA-N 1 3 323.506 2.477 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccsc2)C1 ZINC001214996653 801788418 /nfs/dbraw/zinc/78/84/18/801788418.db2.gz ABGFHEDGTJOPEU-UKRRQHHQSA-N 1 3 323.506 2.415 20 0 DEADHO CC[NH+]1C[C@@H]2CN(Cc3cc(F)cc(CN(C)C)c3)C[C@H]2C1 ZINC001232151522 801801806 /nfs/dbraw/zinc/80/18/06/801801806.db2.gz OONLGNHEKPDMEK-IAGOWNOFSA-N 1 3 305.441 2.271 20 0 DEADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCc1ccccc1Cl ZINC001215456442 801864268 /nfs/dbraw/zinc/86/42/68/801864268.db2.gz UWUUDSPJUCEKSE-CZUORRHYSA-N 1 3 323.868 2.228 20 0 DEADHO CC/C=C/CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001215541069 801872981 /nfs/dbraw/zinc/87/29/81/801872981.db2.gz WMKKYZMMIMTDCH-AQGROHODSA-N 1 3 307.482 2.121 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CCCC1CCC1 ZINC001215541022 801873026 /nfs/dbraw/zinc/87/30/26/801873026.db2.gz VCPNKHQXPOCYMB-JFIYKMOQSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001216852186 802033457 /nfs/dbraw/zinc/03/34/57/802033457.db2.gz RLUULGVLGFNBFF-NVXWUHKLSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2cccs2)C1 ZINC001216851658 802033842 /nfs/dbraw/zinc/03/38/42/802033842.db2.gz FMJUOSVZMCXMHW-GDBMZVCRSA-N 1 3 323.506 2.067 20 0 DEADHO Cc1cc(C[NH2+][C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)cs1 ZINC001216851885 802033867 /nfs/dbraw/zinc/03/38/67/802033867.db2.gz KCGDJLNLHVTHHF-CZUORRHYSA-N 1 3 323.506 2.333 20 0 DEADHO CC1(C)C[NH2+]CCc2ccc(O[C@H]3CC[C@@H]4NCCO[C@@H]43)cc21 ZINC001218120126 802145626 /nfs/dbraw/zinc/14/56/26/802145626.db2.gz QPAQVAUKPZYHSB-BZSNNMDCSA-N 1 3 316.445 2.008 20 0 DEADHO c1ccc2c(c1)CNC[C@H]2Oc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001218493701 802189722 /nfs/dbraw/zinc/18/97/22/802189722.db2.gz VZLMYSLXLVTLHH-HXUWFJFHSA-N 1 3 323.440 2.315 20 0 DEADHO CC(C)[C@@]1(C(=O)Nc2cc([C@@H]3CCCN3)no2)CCC[NH2+]C1 ZINC001218711701 802229883 /nfs/dbraw/zinc/22/98/83/802229883.db2.gz MIJUIOLQBDJWDF-BLLLJJGKSA-N 1 3 306.410 2.063 20 0 DEADHO C[C@@H](C(=O)Nc1cc([C@H]2CCCN2)no1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001218709874 802230056 /nfs/dbraw/zinc/23/00/56/802230056.db2.gz BQLBQBDACFBWAD-FDYHWXHSSA-N 1 3 306.410 2.062 20 0 DEADHO O=C(Nc1cc([C@H]2CCCN2)no1)c1csc2c1CC[NH2+]C2 ZINC001218712497 802231850 /nfs/dbraw/zinc/23/18/50/802231850.db2.gz IJXISBLBCIWMOU-LLVKDONJSA-N 1 3 318.402 2.059 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc(C2CCC2)nc1 ZINC001218739232 802233588 /nfs/dbraw/zinc/23/35/88/802233588.db2.gz YJYIUNZRWYQGKS-HNNXBMFYSA-N 1 3 304.438 2.347 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccc(C(F)F)cn1 ZINC001218793773 802240551 /nfs/dbraw/zinc/24/05/51/802240551.db2.gz HQNOCOGCYGFYNZ-LBPRGKRZSA-N 1 3 314.380 2.453 20 0 DEADHO Nc1ccc(-c2ccc(NC(=O)[C@H](N)C3CC[NH2+]CC3)cc2)cc1 ZINC001218863148 802251811 /nfs/dbraw/zinc/25/18/11/802251811.db2.gz YSKCYCNMDYPCPO-GOSISDBHSA-N 1 3 324.428 2.201 20 0 DEADHO Cc1ccc(OC(C)C)cc1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218968083 802266224 /nfs/dbraw/zinc/26/62/24/802266224.db2.gz DEFCGQWHGWIOBP-MRXNPFEDSA-N 1 3 305.422 2.048 20 0 DEADHO N[C@@H](C(=O)Nc1ccccc1-c1ccncc1)C1CC[NH2+]CC1 ZINC001219328949 802311634 /nfs/dbraw/zinc/31/16/34/802311634.db2.gz PABIOMAMOJGMDR-QGZVFWFLSA-N 1 3 310.401 2.014 20 0 DEADHO N[C@@H](CC1CCCC1)C(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219816586 802381543 /nfs/dbraw/zinc/38/15/43/802381543.db2.gz OBCHBKJJOQEBNT-BBWFWOEESA-N 1 3 301.434 2.113 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)NC1CCC(C(F)(F)F)CC1 ZINC001219982637 802398611 /nfs/dbraw/zinc/39/86/11/802398611.db2.gz IOYUUEWXSSAGRX-BPCQOVAHSA-N 1 3 323.403 2.283 20 0 DEADHO CC[NH+](CC)[C@H](C(=O)N1C[C@H]2CCN(C(C)C)C[C@H]21)C(C)C ZINC001221877663 802623614 /nfs/dbraw/zinc/62/36/14/802623614.db2.gz CFHQGNLENBFEHC-ZACQAIPSSA-N 1 3 309.498 2.294 20 0 DEADHO CCCOc1ccccc1CN1CCNC2(CC[NH2+]CC2)C1 ZINC001222090481 802640713 /nfs/dbraw/zinc/64/07/13/802640713.db2.gz DNBJNTUVDRZDFA-UHFFFAOYSA-N 1 3 303.450 2.003 20 0 DEADHO Cc1nc2cc(CN3CCNC4(CC[NH2+]CC4)C3)ccc2s1 ZINC001222104032 802643858 /nfs/dbraw/zinc/64/38/58/802643858.db2.gz ACHCDAFUUGQHDP-UHFFFAOYSA-N 1 3 316.474 2.132 20 0 DEADHO CCOC(=O)[C@@]12C[N@H+](CC3CCCCC3)C[C@@H]1CNCCC2 ZINC001222125411 802647172 /nfs/dbraw/zinc/64/71/72/802647172.db2.gz LIESQGBSPTYCSK-WMZOPIPTSA-N 1 3 308.466 2.431 20 0 DEADHO CCOC(=O)[C@@]12C[N@@H+](CC3CCCCC3)C[C@@H]1CNCCC2 ZINC001222125411 802647175 /nfs/dbraw/zinc/64/71/75/802647175.db2.gz LIESQGBSPTYCSK-WMZOPIPTSA-N 1 3 308.466 2.431 20 0 DEADHO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222615754 802717919 /nfs/dbraw/zinc/71/79/19/802717919.db2.gz RZZWRQOGLDQXLE-VNQPRFMTSA-N 1 3 302.418 2.278 20 0 DEADHO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222615754 802717924 /nfs/dbraw/zinc/71/79/24/802717924.db2.gz RZZWRQOGLDQXLE-VNQPRFMTSA-N 1 3 302.418 2.278 20 0 DEADHO CC[C@@H](F)C[NH+]1CCC(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001223472971 802792698 /nfs/dbraw/zinc/79/26/98/802792698.db2.gz ZDDVWXNSGICAJD-OAHLLOKOSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](C)C[NH+]1CCC(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001223525289 802797961 /nfs/dbraw/zinc/79/79/61/802797961.db2.gz QVUKGIYYHROMOJ-RDJZCZTQSA-N 1 3 311.514 2.447 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC1CC[NH+](CC[C@@H](C)F)CC1 ZINC001223654251 802806695 /nfs/dbraw/zinc/80/66/95/802806695.db2.gz JVPDGXALFFBPQM-CQSZACIVSA-N 1 3 315.477 2.293 20 0 DEADHO c1cc2n(c1C[N@@H+]1C[C@@H]3CNc4ccccc4[C@H]3C1)CCNC2 ZINC001224117671 802837849 /nfs/dbraw/zinc/83/78/49/802837849.db2.gz BIXYRCXADCJQQT-KSSFIOAISA-N 1 3 308.429 2.232 20 0 DEADHO c1cc2n(c1C[N@H+]1C[C@@H]3CNc4ccccc4[C@H]3C1)CCNC2 ZINC001224117671 802837855 /nfs/dbraw/zinc/83/78/55/802837855.db2.gz BIXYRCXADCJQQT-KSSFIOAISA-N 1 3 308.429 2.232 20 0 DEADHO CCN(CC)CC(=O)NCC1CC[NH+](CCCCCF)CC1 ZINC001224911913 802916683 /nfs/dbraw/zinc/91/66/83/802916683.db2.gz WRCSBQARTZTTQA-UHFFFAOYSA-N 1 3 315.477 2.296 20 0 DEADHO CC[N@H+](C)CCC(=O)NCC1CCN(CCC(F)(F)F)CC1 ZINC001225087429 802934905 /nfs/dbraw/zinc/93/49/05/802934905.db2.gz FATGICGDEWOBDT-UHFFFAOYSA-N 1 3 323.403 2.109 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCC1CCN(CCC(F)(F)F)CC1 ZINC001225087429 802934909 /nfs/dbraw/zinc/93/49/09/802934909.db2.gz FATGICGDEWOBDT-UHFFFAOYSA-N 1 3 323.403 2.109 20 0 DEADHO CC[C@@H](F)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001226792320 803161154 /nfs/dbraw/zinc/16/11/54/803161154.db2.gz PGCJYHZCBBCHGQ-RBSFLKMASA-N 1 3 313.461 2.236 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\Cl)N(C)C ZINC001228445050 803360780 /nfs/dbraw/zinc/36/07/80/803360780.db2.gz LFPDLIPJQCEGFN-ATMWQTCUSA-N 1 3 315.889 2.342 20 0 DEADHO CCc1ccccc1CN1CC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001370030506 1149358392 /nfs/dbraw/zinc/35/83/92/1149358392.db2.gz GGGLXOFOGCOFDE-SFHVURJKSA-N 1 3 317.477 2.281 20 0 DEADHO CCc1ccccc1CN1CC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001370030506 1149358398 /nfs/dbraw/zinc/35/83/98/1149358398.db2.gz GGGLXOFOGCOFDE-SFHVURJKSA-N 1 3 317.477 2.281 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]([NH2+]CC1CCCCC1)C1CC1 ZINC001370266272 1149443485 /nfs/dbraw/zinc/44/34/85/1149443485.db2.gz RQQBUFJFRBPGNH-QGZVFWFLSA-N 1 3 318.465 2.325 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC001328130122 1148727941 /nfs/dbraw/zinc/72/79/41/1148727941.db2.gz AYTPUMQDBNJNMM-OAHLLOKOSA-N 1 3 318.465 2.155 20 0 DEADHO C[C@@H](NCc1ccccc1Cl)[C@H](C)NC(=O)CC[NH+](C)C ZINC001368873520 1148738099 /nfs/dbraw/zinc/73/80/99/1148738099.db2.gz WLQACLFPDJTGSQ-OLZOCXBDSA-N 1 3 311.857 2.275 20 0 DEADHO CC(C)[NH2+]CCN(Cc1ccccc1)C(=O)CN(C)C(C)C ZINC001368352161 1148421648 /nfs/dbraw/zinc/42/16/48/1148421648.db2.gz YALUCUVVICBGNO-UHFFFAOYSA-N 1 3 305.466 2.353 20 0 DEADHO CC(C)N(CC[N@H+](C)CC1CCC1)C(=O)CN1CC[C@@H](C)C1 ZINC001403933529 1163307934 /nfs/dbraw/zinc/30/79/34/1163307934.db2.gz KYCYTMQKHNQUTH-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)N(CC[N@@H+](C)CC1CCC1)C(=O)CN1CC[C@@H](C)C1 ZINC001403933529 1163307943 /nfs/dbraw/zinc/30/79/43/1163307943.db2.gz KYCYTMQKHNQUTH-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[N@H+](CC2CCC2)CC1(C)C)N(C)C ZINC001369116393 1148851709 /nfs/dbraw/zinc/85/17/09/1148851709.db2.gz GYTWMDKYEPQTAR-HOTGVXAUSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[N@@H+](CC2CCC2)CC1(C)C)N(C)C ZINC001369116393 1148851710 /nfs/dbraw/zinc/85/17/10/1148851710.db2.gz GYTWMDKYEPQTAR-HOTGVXAUSA-N 1 3 309.498 2.199 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001499883190 1058347198 /nfs/dbraw/zinc/34/71/98/1058347198.db2.gz SJQBKEAQSROAJA-DLBZAZTESA-N 1 3 307.482 2.242 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001499916659 1058373971 /nfs/dbraw/zinc/37/39/71/1058373971.db2.gz SZLCAESVSRJOAD-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO O=C(CC[NH+]1CCCCC1)N[C@@H](CNCCF)C1CCCC1 ZINC001500131622 1058515737 /nfs/dbraw/zinc/51/57/37/1058515737.db2.gz QAEHKFZGMKHRMD-INIZCTEOSA-N 1 3 313.461 2.097 20 0 DEADHO CN(CC(=O)N1CC[C@](C)(C[NH2+]CC2CCC2)C1)C1CCC1 ZINC001500354617 1058719755 /nfs/dbraw/zinc/71/97/55/1058719755.db2.gz VWHSVNGEBWTPHB-GOSISDBHSA-N 1 3 307.482 2.099 20 0 DEADHO Cc1ccc(-c2nn(C)cc2C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)o1 ZINC001461828817 1058721714 /nfs/dbraw/zinc/72/17/14/1058721714.db2.gz JMMXTIZDOZLKKR-CWRNSKLLSA-N 1 3 314.433 2.418 20 0 DEADHO C[C@@H](CC[NH+](C)C)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC001464536923 1059150722 /nfs/dbraw/zinc/15/07/22/1059150722.db2.gz CMHLYBYQJVDOFU-INIZCTEOSA-N 1 3 309.498 2.299 20 0 DEADHO C[C@H](NCCF)c1ccc(CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001501681767 1059631402 /nfs/dbraw/zinc/63/14/02/1059631402.db2.gz QHIUEQDOCUBKIN-GOEBONIOSA-N 1 3 321.440 2.265 20 0 DEADHO C[C@H](NCCF)c1ccc(CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001501681767 1059631410 /nfs/dbraw/zinc/63/14/10/1059631410.db2.gz QHIUEQDOCUBKIN-GOEBONIOSA-N 1 3 321.440 2.265 20 0 DEADHO Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2CCCN2C)cc1 ZINC001502167263 1060024702 /nfs/dbraw/zinc/02/47/02/1060024702.db2.gz TWOQEXXMGRVXGW-SFHVURJKSA-N 1 3 317.477 2.370 20 0 DEADHO Cc1ccc(C[N@H+](C)CCCN(C)C(=O)[C@@H]2CCCN2C)cc1 ZINC001502167263 1060024720 /nfs/dbraw/zinc/02/47/20/1060024720.db2.gz TWOQEXXMGRVXGW-SFHVURJKSA-N 1 3 317.477 2.370 20 0 DEADHO Cc1cc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)C(C)C)cs1 ZINC001505761013 1060938880 /nfs/dbraw/zinc/93/88/80/1060938880.db2.gz QFGSPRGGWAGFRZ-ZIAGYGMSSA-N 1 3 311.495 2.380 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)CC1CCCC1 ZINC001505918066 1061132891 /nfs/dbraw/zinc/13/28/91/1061132891.db2.gz FQRAUXITADAGRS-DOTOQJQBSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)CC1CCCC1 ZINC001505918066 1061132897 /nfs/dbraw/zinc/13/28/97/1061132897.db2.gz FQRAUXITADAGRS-DOTOQJQBSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001479321350 1061391460 /nfs/dbraw/zinc/39/14/60/1061391460.db2.gz LPIVNDYZUGHJCK-HRCADAONSA-N 1 3 311.514 2.495 20 0 DEADHO CC1CC(C[NH2+][C@H]2C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001479320933 1061392236 /nfs/dbraw/zinc/39/22/36/1061392236.db2.gz IFCFKXFEXKANLT-UCUFBTAOSA-N 1 3 323.525 2.495 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCC(F)(F)F)C1)N(C)C ZINC001479393824 1061437301 /nfs/dbraw/zinc/43/73/01/1061437301.db2.gz YHDFUGGYJRVDHY-JHJVBQTASA-N 1 3 323.403 2.009 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC=C(Cl)Cl)C1 ZINC001479416727 1061449766 /nfs/dbraw/zinc/44/97/66/1061449766.db2.gz LQCIJMORCVPYBP-HAQNSBGRSA-N 1 3 322.280 2.130 20 0 DEADHO CC(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CCCN1C(C)C)C1CC1 ZINC001480019732 1062194909 /nfs/dbraw/zinc/19/49/09/1062194909.db2.gz MOXXTQFJZXYMPW-DLBZAZTESA-N 1 3 309.498 2.390 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]([NH2+]CCC(C)(C)C)C2CC2)C1 ZINC001480047033 1062237064 /nfs/dbraw/zinc/23/70/64/1062237064.db2.gz NVFZNLMDLDPXOP-HOCLYGCPSA-N 1 3 309.498 2.249 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H](NCc2cncs2)C1)[NH+](CC)CC ZINC001480156760 1062401868 /nfs/dbraw/zinc/40/18/68/1062401868.db2.gz FRTVYPXETVRYSD-UMVBOHGHSA-N 1 3 324.494 2.000 20 0 DEADHO CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001506861195 1062444192 /nfs/dbraw/zinc/44/41/92/1062444192.db2.gz QYXWFXZQXVUPSN-HRCADAONSA-N 1 3 307.482 2.097 20 0 DEADHO CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001506861195 1062444201 /nfs/dbraw/zinc/44/42/01/1062444201.db2.gz QYXWFXZQXVUPSN-HRCADAONSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@@H](CCNC(=O)[C@H]1CCCCN1C(C)C)[NH2+]CCF ZINC001506990667 1062642935 /nfs/dbraw/zinc/64/29/35/1062642935.db2.gz NIQHWMHDABTUBM-HZPDHXFCSA-N 1 3 315.477 2.339 20 0 DEADHO CN(C(=O)Cc1c[nH]cn1)[C@H](C[NH2+]CCC1CCCC1)C1CC1 ZINC001507022262 1062687442 /nfs/dbraw/zinc/68/74/42/1062687442.db2.gz AXSNRHCYNBBLFL-QGZVFWFLSA-N 1 3 318.465 2.359 20 0 DEADHO CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001480615811 1063105472 /nfs/dbraw/zinc/10/54/72/1063105472.db2.gz CQVUBAMLOXFDAF-JFDDCEBESA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)[NH+]1CCC(C2(NC(=O)CN3CC[C@H](C)C3)CC2)CC1 ZINC001508166517 1063588830 /nfs/dbraw/zinc/58/88/30/1063588830.db2.gz SQMASUWDDBIZDW-HNNXBMFYSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001493685560 1063917137 /nfs/dbraw/zinc/91/71/37/1063917137.db2.gz WAMAWUBSDYDLLL-QGZVFWFLSA-N 1 3 305.466 2.129 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001494021301 1064086203 /nfs/dbraw/zinc/08/62/03/1064086203.db2.gz LQCIWHPGMMSOHN-MRXNPFEDSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001494021301 1064086207 /nfs/dbraw/zinc/08/62/07/1064086207.db2.gz LQCIWHPGMMSOHN-MRXNPFEDSA-N 1 3 307.482 2.265 20 0 DEADHO C[C@H]([NH2+]CCCCCF)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001567631857 1064293026 /nfs/dbraw/zinc/29/30/26/1064293026.db2.gz XBTASVMMQNHVMB-AWEZNQCLSA-N 1 3 324.444 2.309 20 0 DEADHO COCCOCc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)cc1 ZINC001621108519 1078170048 /nfs/dbraw/zinc/17/00/48/1078170048.db2.gz REKMSRZJCCIOPT-CEXWTWQISA-N 1 3 318.461 2.279 20 0 DEADHO Cc1cc(CNC/C=C/CNC(=O)C[N@H+]2CC[C@@H](C)C2)cs1 ZINC001568919814 1065191884 /nfs/dbraw/zinc/19/18/84/1065191884.db2.gz JPBOLCYWRMVZHX-RDFMZFSFSA-N 1 3 321.490 2.160 20 0 DEADHO Cc1cc(CNC/C=C/CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cs1 ZINC001568919814 1065191887 /nfs/dbraw/zinc/19/18/87/1065191887.db2.gz JPBOLCYWRMVZHX-RDFMZFSFSA-N 1 3 321.490 2.160 20 0 DEADHO COCCOCc1ccc(CNC[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001621551665 1078177149 /nfs/dbraw/zinc/17/71/49/1078177149.db2.gz OMCNJLZEPYNRBO-LJQANCHMSA-N 1 3 318.461 2.281 20 0 DEADHO CCc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)Cc2c[nH]cn2)cc1 ZINC001496169530 1065320031 /nfs/dbraw/zinc/32/00/31/1065320031.db2.gz KKHDMDLLZUHECR-AWEZNQCLSA-N 1 3 314.433 2.151 20 0 DEADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(CF)cc1 ZINC001496250412 1065364567 /nfs/dbraw/zinc/36/45/67/1065364567.db2.gz QUOIRVQMIMRARY-OAHLLOKOSA-N 1 3 323.456 2.433 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]C/C=C\Cl)C1CCCC1)N(C)C ZINC001569611096 1065622316 /nfs/dbraw/zinc/62/23/16/1065622316.db2.gz QBANGNJWBJGCHD-UGZXISOKSA-N 1 3 315.889 2.344 20 0 DEADHO CCCCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001569824215 1065744938 /nfs/dbraw/zinc/74/49/38/1065744938.db2.gz OLNWEOWGZGXGRZ-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H](CC[NH2+]CCC2CC2)C1)N(C)C ZINC001570015159 1065882521 /nfs/dbraw/zinc/88/25/21/1065882521.db2.gz HGUSUOFSOWDUHA-IRXDYDNUSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)(CNCc1nc2c(s1)C[NH2+]CC2)c1cccnc1 ZINC001575334197 1066267726 /nfs/dbraw/zinc/26/77/26/1066267726.db2.gz FFOSFASVYULYPT-UHFFFAOYSA-N 1 3 302.447 2.251 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCc1ccccc1F ZINC001497816360 1066342143 /nfs/dbraw/zinc/34/21/43/1066342143.db2.gz OMLPROUKFRDCBC-PBHICJAKSA-N 1 3 321.440 2.293 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCc1ccccc1F ZINC001497816360 1066342161 /nfs/dbraw/zinc/34/21/61/1066342161.db2.gz OMLPROUKFRDCBC-PBHICJAKSA-N 1 3 321.440 2.293 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001498196965 1066549989 /nfs/dbraw/zinc/54/99/89/1066549989.db2.gz DASKLLJGGDSKFE-NWDGAFQWSA-N 1 3 324.296 2.005 20 0 DEADHO CC1(C)[C@@H]2NCCC[C@@H]2[C@H]1[NH2+]C1CCN(c2ccccn2)CC1 ZINC001576383295 1066583431 /nfs/dbraw/zinc/58/34/31/1066583431.db2.gz IEMDFBMMQISHFW-CGTJXYLNSA-N 1 3 314.477 2.417 20 0 DEADHO CC1(C)CCN(CCNC(=O)[C@@H]2[NH2+]CC[C@@H]3CCCC[C@@H]23)C1 ZINC001576439419 1066606840 /nfs/dbraw/zinc/60/68/40/1066606840.db2.gz ASDVHEHRFLJBLG-ARFHVFGLSA-N 1 3 307.482 2.003 20 0 DEADHO C[C@@]1(C[NH3+])CCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC001576503652 1066623427 /nfs/dbraw/zinc/62/34/27/1066623427.db2.gz UNVWKPTYFVHRFD-IBGZPJMESA-N 1 3 315.461 2.483 20 0 DEADHO C[C@H]1[C@@H](NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC001576580046 1066637655 /nfs/dbraw/zinc/63/76/55/1066637655.db2.gz SMBFYPSVSAWULE-OWLYRPNTSA-N 1 3 315.461 2.283 20 0 DEADHO C[C@@H]1CCN(CCc2ccc3c(c2)OC(F)(F)O3)C[C@H]1C[NH3+] ZINC001576731710 1066673634 /nfs/dbraw/zinc/67/36/34/1066673634.db2.gz NHITXHDJAZNFCP-DGCLKSJQSA-N 1 3 312.360 2.467 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[N@H+](C)Cc1ccc(CF)cc1 ZINC001498457717 1066721178 /nfs/dbraw/zinc/72/11/78/1066721178.db2.gz SPOZUVHLQALRSQ-OAHLLOKOSA-N 1 3 323.456 2.433 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(CF)cc1 ZINC001498457717 1066721188 /nfs/dbraw/zinc/72/11/88/1066721188.db2.gz SPOZUVHLQALRSQ-OAHLLOKOSA-N 1 3 323.456 2.433 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)C1=CCC[NH2+]CC1)c1ccco1 ZINC001577002142 1066743050 /nfs/dbraw/zinc/74/30/50/1066743050.db2.gz CQQMUOHCEFCHCT-ZFWWWQNUSA-N 1 3 305.422 2.135 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1ccccc1)N(C)C ZINC001498560929 1066778700 /nfs/dbraw/zinc/77/87/00/1066778700.db2.gz HCCZHFGLTAQODI-KRWDZBQOSA-N 1 3 305.466 2.211 20 0 DEADHO CC[C@H]1CN(C(=O)c2ccc(NC3=NCCC3)cc2)CC[C@@H]1[NH3+] ZINC001577279724 1066806425 /nfs/dbraw/zinc/80/64/25/1066806425.db2.gz OWNGPTRUUKWLSS-BBRMVZONSA-N 1 3 314.433 2.490 20 0 DEADHO CCC[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC001577377785 1066828414 /nfs/dbraw/zinc/82/84/14/1066828414.db2.gz XHYOMLTYYYCLKB-BRWVUGGUSA-N 1 3 309.498 2.380 20 0 DEADHO CCCCCCN(C)CC(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC001634105496 1078419488 /nfs/dbraw/zinc/41/94/88/1078419488.db2.gz IYTSLJSTFNNQHC-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001368608417 1148523318 /nfs/dbraw/zinc/52/33/18/1148523318.db2.gz MTKKTWHUAYAPJT-IBGZPJMESA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001368608417 1148523334 /nfs/dbraw/zinc/52/33/34/1148523334.db2.gz MTKKTWHUAYAPJT-IBGZPJMESA-N 1 3 321.509 2.441 20 0 DEADHO C[NH+](C)CCCC(=O)NC[C@H]1CCN1[C@@H]1CCc2ccccc21 ZINC001499048003 1067053033 /nfs/dbraw/zinc/05/30/33/1067053033.db2.gz NIYAPXJXUHTPPM-SJLPKXTDSA-N 1 3 315.461 2.206 20 0 DEADHO C[NH2+]CCCCC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC001578683302 1067149406 /nfs/dbraw/zinc/14/94/06/1067149406.db2.gz QARUDNNCKKLPIL-UHFFFAOYSA-N 1 3 307.438 2.092 20 0 DEADHO C[NH2+][C@@H](CC(C)C)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC001578753439 1067162190 /nfs/dbraw/zinc/16/21/90/1067162190.db2.gz RJHAKIWFIJAEHJ-HYVNUMGLSA-N 1 3 305.466 2.428 20 0 DEADHO Cc1cc(CN2CCCN(Cc3ccc(C[NH3+])cc3)CC2)no1 ZINC001579598495 1067381621 /nfs/dbraw/zinc/38/16/21/1067381621.db2.gz XWOYKYKWOIOUAN-UHFFFAOYSA-N 1 3 314.433 2.150 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CCCC2CCC2)C1)N(C)C ZINC001267057504 1078534741 /nfs/dbraw/zinc/53/47/41/1078534741.db2.gz AFOTYOVAGTZTHG-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001571198035 1068192136 /nfs/dbraw/zinc/19/21/36/1068192136.db2.gz UVQYFFZFGMJNPE-ADMUNBKSSA-N 1 3 313.873 2.096 20 0 DEADHO CC(C)[C@@H](C(=O)NCCN(C)Cc1ccccc1)[NH+]1CCCC1 ZINC001480952135 1078904249 /nfs/dbraw/zinc/90/42/49/1078904249.db2.gz XDLQYGTWHGWHPE-SFHVURJKSA-N 1 3 317.477 2.355 20 0 DEADHO [NH3+]CC[C@H]1CN(C(=O)[C@H]2CNCc3ccccc32)c2ccccc21 ZINC001548578312 1072695112 /nfs/dbraw/zinc/69/51/12/1072695112.db2.gz KBKIQIIQBVZWJY-YJBOKZPZSA-N 1 3 321.424 2.353 20 0 DEADHO [NH3+]C[C@]12CCC[C@@H]1CN(Cc1ccccc1N1CCOCC1)C2 ZINC001549087534 1073011327 /nfs/dbraw/zinc/01/13/27/1073011327.db2.gz PWOXUAKUIJGORQ-MJGOQNOKSA-N 1 3 315.461 2.084 20 0 DEADHO Cn1ccnc1[C@@H]1OCC[C@@H]1C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC001549192400 1073064562 /nfs/dbraw/zinc/06/45/62/1073064562.db2.gz BFMJTBPYFKYBIL-GDBMZVCRSA-N 1 3 320.481 2.350 20 0 DEADHO O=C(N[C@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc2c(c1)CNC2 ZINC001549209797 1073080205 /nfs/dbraw/zinc/08/02/05/1073080205.db2.gz VFHRDHYYKMGZKQ-MOPGFXCFSA-N 1 3 321.424 2.165 20 0 DEADHO CC[C@@]1(c2nc(-c3ccc(CN(C)C)cc3)no2)CC[NH2+]C1 ZINC001645871419 1079033805 /nfs/dbraw/zinc/03/38/05/1079033805.db2.gz DUUGCWHIYSEAJL-QGZVFWFLSA-N 1 3 300.406 2.439 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC001549296165 1073115011 /nfs/dbraw/zinc/11/50/11/1073115011.db2.gz JPFRCELRWPZTDA-MVJTYMMSSA-N 1 3 315.461 2.121 20 0 DEADHO CCCN1CCCC[C@H]1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC001645892382 1079040611 /nfs/dbraw/zinc/04/06/11/1079040611.db2.gz DPZMSJYRDVGPSM-KRWDZBQOSA-N 1 3 301.434 2.171 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CCCC[C@@H]3[NH3+])C2)cc1 ZINC001550100913 1073427369 /nfs/dbraw/zinc/42/73/69/1073427369.db2.gz TWDLIJCUBGYFGX-BZSNNMDCSA-N 1 3 315.461 2.203 20 0 DEADHO Cn1nccc1[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCCN[C@H]3C2(C)C)CCO1 ZINC001550474074 1073670827 /nfs/dbraw/zinc/67/08/27/1073670827.db2.gz IYDWELIJLZKLRX-MAURAIGZSA-N 1 3 318.465 2.006 20 0 DEADHO Cn1nccc1[C@@H]1C[C@H](N[C@@H]2[C@@H]3CCC[NH2+][C@H]3C2(C)C)CCO1 ZINC001550474074 1073670831 /nfs/dbraw/zinc/67/08/31/1073670831.db2.gz IYDWELIJLZKLRX-MAURAIGZSA-N 1 3 318.465 2.006 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CC1)N1CCCCC1 ZINC001481071457 1079151714 /nfs/dbraw/zinc/15/17/14/1079151714.db2.gz QQLVFJGEBCYIMU-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CC1)N1CCCCC1 ZINC001481071457 1079151719 /nfs/dbraw/zinc/15/17/19/1079151719.db2.gz QQLVFJGEBCYIMU-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CCC[NH+]1CCC(N[C@H]2CCC[C@H]2Oc2cnn(C)c2)CC1 ZINC001550665905 1073783341 /nfs/dbraw/zinc/78/33/41/1073783341.db2.gz GLJHVKMBQKXEDZ-DLBZAZTESA-N 1 3 306.454 2.184 20 0 DEADHO Cc1n[nH]c(C[NH2+]C2CCC(C)(N3CCOCC3)CC2)c1C ZINC001551238583 1074128157 /nfs/dbraw/zinc/12/81/57/1074128157.db2.gz NFPAMJUNVPAVRR-UHFFFAOYSA-N 1 3 306.454 2.150 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@H]2CN(Cn3c4ccccc4oc3=O)C[C@@H]2C1 ZINC001551383351 1074198343 /nfs/dbraw/zinc/19/83/43/1074198343.db2.gz RGZHXSZEUXIMFY-SOUVJXGZSA-N 1 3 315.417 2.214 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+][C@@H]2CCCc3n[nH]cc32)CC1 ZINC001551399211 1074205238 /nfs/dbraw/zinc/20/52/38/1074205238.db2.gz KFTMCNIRMJFKOM-BFHRDPOASA-N 1 3 318.465 2.410 20 0 DEADHO CN1CCCC[C@@H](C[NH2+]C[C@H](O)COCc2ccccc2F)C1 ZINC001646526001 1074470435 /nfs/dbraw/zinc/47/04/35/1074470435.db2.gz OOQODHYPNLGERE-RDJZCZTQSA-N 1 3 324.440 2.025 20 0 DEADHO C[N@@H+]1CCCC[C@@H](CNC[C@H](O)COCc2ccccc2F)C1 ZINC001646526001 1074470439 /nfs/dbraw/zinc/47/04/39/1074470439.db2.gz OOQODHYPNLGERE-RDJZCZTQSA-N 1 3 324.440 2.025 20 0 DEADHO C[N@H+]1CCCC[C@@H](CNC[C@H](O)COCc2ccccc2F)C1 ZINC001646526001 1074470442 /nfs/dbraw/zinc/47/04/42/1074470442.db2.gz OOQODHYPNLGERE-RDJZCZTQSA-N 1 3 324.440 2.025 20 0 DEADHO [NH3+]C[C@H]1CN(C(=O)c2cccc3c2CNC3)C[C@H]1c1ccccc1 ZINC001552429079 1074575194 /nfs/dbraw/zinc/57/51/94/1074575194.db2.gz ACEPTQUUSGHIKZ-LPHOPBHVSA-N 1 3 321.424 2.104 20 0 DEADHO C[C@@H]1CCCN(C(=O)c2cc3c(s2)CNCC3)[C@@H]1CCC[NH3+] ZINC001646772541 1074611693 /nfs/dbraw/zinc/61/16/93/1074611693.db2.gz NODXQRQUECMHOE-TZMCWYRMSA-N 1 3 321.490 2.373 20 0 DEADHO CC(C)C[C@H]([NH3+])CC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC001646845302 1074647035 /nfs/dbraw/zinc/64/70/35/1074647035.db2.gz HALMPSUODXHBKY-JKSUJKDBSA-N 1 3 309.429 2.308 20 0 DEADHO c1c(CN2CC[C@H](Oc3ccncc3)C2)sc2c1C[NH2+]CC2 ZINC001552769002 1074652080 /nfs/dbraw/zinc/65/20/80/1074652080.db2.gz UQVXIBPFVRNZFF-HNNXBMFYSA-N 1 3 315.442 2.442 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC001646931859 1074702693 /nfs/dbraw/zinc/70/26/93/1074702693.db2.gz OXHOENULMJTUKG-CABCVRRESA-N 1 3 312.502 2.136 20 0 DEADHO CC1(C)[C@@H]2NCCC[C@H]2[C@H]1[NH2+]C1CCN(c2nccs2)CC1 ZINC001553026847 1074741675 /nfs/dbraw/zinc/74/16/75/1074741675.db2.gz ZANQKAGFTKIQFA-RBSFLKMASA-N 1 3 320.506 2.478 20 0 DEADHO CCC1([NH+]2CCCCC2)CCN(C(=O)[C@@H](N)CC2CC2)CC1 ZINC001647377321 1074901757 /nfs/dbraw/zinc/90/17/57/1074901757.db2.gz TZBRGDNZITYNML-INIZCTEOSA-N 1 3 307.482 2.371 20 0 DEADHO Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@H]2C[C@@H](N3CCCC3)C2)c1 ZINC001647562460 1074947098 /nfs/dbraw/zinc/94/70/98/1074947098.db2.gz CULJBTCLITWZAP-KSZLIROESA-N 1 3 318.461 2.260 20 0 DEADHO CN(C)CCN(C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2)C1CCCC1 ZINC001647578408 1074949828 /nfs/dbraw/zinc/94/98/28/1074949828.db2.gz QHOXVFPJSIGGTJ-SJLPKXTDSA-N 1 3 322.497 2.034 20 0 DEADHO CCN1CCC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccncc2)C1 ZINC000063917474 1075007160 /nfs/dbraw/zinc/00/71/60/1075007160.db2.gz HDJOABQIWBFWBF-HNNXBMFYSA-N 1 3 313.449 2.304 20 0 DEADHO CCCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001267709308 1079395850 /nfs/dbraw/zinc/39/58/50/1079395850.db2.gz QXCAFUJTHOOCHI-ULQDDVLXSA-N 1 3 307.482 2.336 20 0 DEADHO CCCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001267709308 1079395854 /nfs/dbraw/zinc/39/58/54/1079395854.db2.gz QXCAFUJTHOOCHI-ULQDDVLXSA-N 1 3 307.482 2.336 20 0 DEADHO CCCCCC[NH2+]C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001567140261 1075442520 /nfs/dbraw/zinc/44/25/20/1075442520.db2.gz KSHQPBVRXAVJLH-IRXDYDNUSA-N 1 3 309.498 2.347 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)CNC[C@@H]2CCC[N@@H+](C)C2)c1C ZINC001650159513 1079428154 /nfs/dbraw/zinc/42/81/54/1079428154.db2.gz UELFOGQIZCEXBO-ZWKOTPCHSA-N 1 3 320.477 2.283 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)CNC[C@@H]2CCC[N@H+](C)C2)c1C ZINC001650159513 1079428156 /nfs/dbraw/zinc/42/81/56/1079428156.db2.gz UELFOGQIZCEXBO-ZWKOTPCHSA-N 1 3 320.477 2.283 20 0 DEADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)C12CCC(CC1)[NH2+]2 ZINC001580655466 1075969857 /nfs/dbraw/zinc/96/98/57/1075969857.db2.gz YAPZECGTBAHROW-TVRKMHQQSA-N 1 3 313.445 2.052 20 0 DEADHO O=C(c1ccc(NC2=NCCC2)cc1)N(C1CCC1)C1C[NH2+]C1 ZINC001580816068 1076001807 /nfs/dbraw/zinc/00/18/07/1076001807.db2.gz RZTQDVSWSNOLIB-UHFFFAOYSA-N 1 3 312.417 2.257 20 0 DEADHO c1csc([C@H]2C[C@H](NCc3cc(C4C[NH2+]C4)no3)CCO2)c1 ZINC001580897678 1076018498 /nfs/dbraw/zinc/01/84/98/1076018498.db2.gz XAIQBDNPUWPYTF-IUODEOHRSA-N 1 3 319.430 2.433 20 0 DEADHO C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589962293 1076537483 /nfs/dbraw/zinc/53/74/83/1076537483.db2.gz RVKSTTLGTNQUPB-KBPBESRZSA-N 1 3 314.437 2.249 20 0 DEADHO C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589962293 1076537489 /nfs/dbraw/zinc/53/74/89/1076537489.db2.gz RVKSTTLGTNQUPB-KBPBESRZSA-N 1 3 314.437 2.249 20 0 DEADHO C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589962293 1076537496 /nfs/dbraw/zinc/53/74/96/1076537496.db2.gz RVKSTTLGTNQUPB-KBPBESRZSA-N 1 3 314.437 2.249 20 0 DEADHO C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589962293 1076537501 /nfs/dbraw/zinc/53/75/01/1076537501.db2.gz RVKSTTLGTNQUPB-KBPBESRZSA-N 1 3 314.437 2.249 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCC1)C2 ZINC001484321719 1079538399 /nfs/dbraw/zinc/53/83/99/1079538399.db2.gz RKFVCGYWIDBYHI-ULQDDVLXSA-N 1 3 307.482 2.097 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCC1)C2 ZINC001484321719 1079538406 /nfs/dbraw/zinc/53/84/06/1079538406.db2.gz RKFVCGYWIDBYHI-ULQDDVLXSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@@H](C)C[C@@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC001650369350 1079567625 /nfs/dbraw/zinc/56/76/25/1079567625.db2.gz WZAQLNNYEUBJKX-MWQQHZPXSA-N 1 3 303.450 2.012 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001484391684 1079581315 /nfs/dbraw/zinc/58/13/15/1079581315.db2.gz RPFSUSZUTCGJGW-BCDXTJNWSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001484391684 1079581320 /nfs/dbraw/zinc/58/13/20/1079581320.db2.gz RPFSUSZUTCGJGW-BCDXTJNWSA-N 1 3 321.509 2.486 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001481281291 1079613612 /nfs/dbraw/zinc/61/36/12/1079613612.db2.gz ITFUVRHFJIONJW-INIZCTEOSA-N 1 3 309.429 2.022 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[NH2+]CC[C@H]1CCCC1(F)F)N(C)C ZINC001481304653 1079695333 /nfs/dbraw/zinc/69/53/33/1079695333.db2.gz YAZZGCINGCIRFO-KGLIPLIRSA-N 1 3 319.440 2.200 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001481320114 1079716746 /nfs/dbraw/zinc/71/67/46/1079716746.db2.gz VSQWQFOVQVGECY-QGZVFWFLSA-N 1 3 321.440 2.201 20 0 DEADHO C[C@@H]([NH2+]CCC1CC1)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001481327305 1079722904 /nfs/dbraw/zinc/72/29/04/1079722904.db2.gz FAQIFRNJCOTFDP-PBHICJAKSA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]([NH2+]CC2CC2)c2ccccc2)CCC1 ZINC001481367397 1079760352 /nfs/dbraw/zinc/76/03/52/1079760352.db2.gz RJLAHWVHVNVOSF-KRWDZBQOSA-N 1 3 315.461 2.328 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001484906264 1079852982 /nfs/dbraw/zinc/85/29/82/1079852982.db2.gz QFCLMZKAYATZAD-DOTOQJQBSA-N 1 3 307.482 2.265 20 0 DEADHO C[C@H](NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CN(C)CCN1C ZINC001653132470 1079915133 /nfs/dbraw/zinc/91/51/33/1079915133.db2.gz WFCOMIXSPYBIOT-QFBILLFUSA-N 1 3 322.541 2.007 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](CN(C)C/C=C/Cl)C1 ZINC001481506004 1079967029 /nfs/dbraw/zinc/96/70/29/1079967029.db2.gz XXJMSKKQAWJHKP-PXTSUWAFSA-N 1 3 315.889 2.251 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](CN(C)C/C=C/Cl)C1 ZINC001481506004 1079967033 /nfs/dbraw/zinc/96/70/33/1079967033.db2.gz XXJMSKKQAWJHKP-PXTSUWAFSA-N 1 3 315.889 2.251 20 0 DEADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+]CCc1ccccc1 ZINC001268099127 1080071891 /nfs/dbraw/zinc/07/18/91/1080071891.db2.gz KJLSPNOPHUHKCI-INIZCTEOSA-N 1 3 305.466 2.006 20 0 DEADHO CCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001268171224 1080159467 /nfs/dbraw/zinc/15/94/67/1080159467.db2.gz LRWHFCFACVGRJB-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CN(CC[N@H+](C)CCCCC(F)(F)F)C(=O)[C@H]1CCCN1C ZINC001268233995 1080214487 /nfs/dbraw/zinc/21/44/87/1080214487.db2.gz ZDLHJEZTBUFDBG-CYBMUJFWSA-N 1 3 323.403 2.203 20 0 DEADHO CN(CC[N@@H+](C)CCCCC(F)(F)F)C(=O)[C@H]1CCCN1C ZINC001268233995 1080214498 /nfs/dbraw/zinc/21/44/98/1080214498.db2.gz ZDLHJEZTBUFDBG-CYBMUJFWSA-N 1 3 323.403 2.203 20 0 DEADHO C[C@@H](c1ccccc1)N1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001481655398 1080254631 /nfs/dbraw/zinc/25/46/31/1080254631.db2.gz ZAWVKSAODONHNR-HOTGVXAUSA-N 1 3 315.461 2.137 20 0 DEADHO C[C@@H](c1ccccc1)N1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001481655398 1080254639 /nfs/dbraw/zinc/25/46/39/1080254639.db2.gz ZAWVKSAODONHNR-HOTGVXAUSA-N 1 3 315.461 2.137 20 0 DEADHO CC[C@@H](C(=O)N1CCC([N@H+](C)CCCCCF)CC1)N(C)C ZINC001485762909 1080420145 /nfs/dbraw/zinc/42/01/45/1080420145.db2.gz FLFVXWZJYHRNJK-INIZCTEOSA-N 1 3 315.477 2.389 20 0 DEADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)CCCCCF)CC1)N(C)C ZINC001485762909 1080420148 /nfs/dbraw/zinc/42/01/48/1080420148.db2.gz FLFVXWZJYHRNJK-INIZCTEOSA-N 1 3 315.477 2.389 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccccc1C)N(C)C ZINC001268416068 1080450963 /nfs/dbraw/zinc/45/09/63/1080450963.db2.gz SBSICJPMDUVETH-RDJZCZTQSA-N 1 3 305.466 2.320 20 0 DEADHO CCN(CC[NH2+]CC1CC2(CCC2)C1)C(=O)[C@@H]1CCCN1C ZINC001268438516 1080467377 /nfs/dbraw/zinc/46/73/77/1080467377.db2.gz JJNMWJIVQSAXRS-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO CCN(CC[NH2+]Cc1ccccc1)C(=O)CN(C)C1CCC1 ZINC001268453152 1080487407 /nfs/dbraw/zinc/48/74/07/1080487407.db2.gz GBBASMWTUFYORF-UHFFFAOYSA-N 1 3 303.450 2.109 20 0 DEADHO CCCn1cncc1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC001661528314 1080490750 /nfs/dbraw/zinc/49/07/50/1080490750.db2.gz FARDKYZFIYXMRN-HOTGVXAUSA-N 1 3 308.470 2.272 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC[C@@H](C)F)CC1)N(C)C ZINC001482021143 1080696031 /nfs/dbraw/zinc/69/60/31/1080696031.db2.gz PJAWHXLNHQVFLY-TUVASFSCSA-N 1 3 301.450 2.092 20 0 DEADHO CC[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001482020843 1080696434 /nfs/dbraw/zinc/69/64/34/1080696434.db2.gz LYILPDXMVQHZKO-YVSFHVDLSA-N 1 3 309.498 2.391 20 0 DEADHO CN(C)C1(C(=O)NCCC[C@H]2CCC[N@@H+]2CCCF)CCC1 ZINC001663072202 1080697141 /nfs/dbraw/zinc/69/71/41/1080697141.db2.gz OCWRNULJZSUVHJ-HNNXBMFYSA-N 1 3 313.461 2.191 20 0 DEADHO CN(C)C1(C(=O)NCCC[C@H]2CCC[N@H+]2CCCF)CCC1 ZINC001663072202 1080697143 /nfs/dbraw/zinc/69/71/43/1080697143.db2.gz OCWRNULJZSUVHJ-HNNXBMFYSA-N 1 3 313.461 2.191 20 0 DEADHO CC/C=C\CC[N@@H+]1CC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001663593890 1080784455 /nfs/dbraw/zinc/78/44/55/1080784455.db2.gz XNBIBERCQUTISM-AWFCHZOYSA-N 1 3 307.482 2.265 20 0 DEADHO CC/C=C\CC[N@H+]1CC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001663593890 1080784464 /nfs/dbraw/zinc/78/44/64/1080784464.db2.gz XNBIBERCQUTISM-AWFCHZOYSA-N 1 3 307.482 2.265 20 0 DEADHO CC[C@H](C(=O)NC/C=C\C[NH2+][C@H](C)c1ccc(F)cc1)N(C)C ZINC001268617833 1080895211 /nfs/dbraw/zinc/89/52/11/1080895211.db2.gz OTATWIPVCQMRPX-FIXGOIDJSA-N 1 3 321.440 2.489 20 0 DEADHO C[C@@H](C[NH2+]C/C=C/Cl)NC(=O)c1cccc(CN(C)C)c1 ZINC001268716525 1080947201 /nfs/dbraw/zinc/94/72/01/1080947201.db2.gz GBNTXPOMZDDEDE-LJLILKBBSA-N 1 3 309.841 2.209 20 0 DEADHO CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2CCC)CC1(C)C ZINC001284291517 1080997155 /nfs/dbraw/zinc/99/71/55/1080997155.db2.gz GZRXFDHBBXSKRX-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)NC1(C[NH2+]C/C=C\Cl)CCCC1 ZINC001269588168 1081298395 /nfs/dbraw/zinc/29/83/95/1081298395.db2.gz LVFHBQAANBRCEH-TWGQIWQCSA-N 1 3 301.862 2.099 20 0 DEADHO CCC(CC)CN1CC(N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000950336231 1081311179 /nfs/dbraw/zinc/31/11/79/1081311179.db2.gz FTUUDCWJNXVGKI-SFHVURJKSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@H](CC[NH2+]CC1=CCCCC1)NC(=O)C1(N(C)C)CCC1 ZINC001668088226 1081314465 /nfs/dbraw/zinc/31/44/65/1081314465.db2.gz WGQCGTJNWZLDCX-OAHLLOKOSA-N 1 3 307.482 2.456 20 0 DEADHO CCc1ccccc1C[NH2+]C/C=C/CNC(=O)[C@H]1CCCN1C ZINC001668746512 1081391130 /nfs/dbraw/zinc/39/11/30/1081391130.db2.gz ZCLSNQDYSZAYPV-IPLHWJFFSA-N 1 3 315.461 2.105 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CNCc1ccsc1 ZINC001668820234 1081401037 /nfs/dbraw/zinc/40/10/37/1081401037.db2.gz DOSUWWSDWQTWKM-MJSXRHKHSA-N 1 3 321.490 2.383 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CNCc1ccsc1 ZINC001668820234 1081401040 /nfs/dbraw/zinc/40/10/40/1081401040.db2.gz DOSUWWSDWQTWKM-MJSXRHKHSA-N 1 3 321.490 2.383 20 0 DEADHO Cc1cc(CNC/C=C/CNC(=O)C2CC[NH+](C)CC2)cs1 ZINC001669020549 1081419200 /nfs/dbraw/zinc/41/92/00/1081419200.db2.gz DQCZWBPXXGGLRJ-ONEGZZNKSA-N 1 3 321.490 2.160 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]CC=C(Cl)Cl)N(C)C ZINC001270509005 1081540483 /nfs/dbraw/zinc/54/04/83/1081540483.db2.gz WKEMWOWTOBDQGE-DGCLKSJQSA-N 1 3 324.296 2.234 20 0 DEADHO CCC(CC)CN1CC(N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC000951608493 1081542315 /nfs/dbraw/zinc/54/23/15/1081542315.db2.gz DGVCEPNOXXPFKA-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001672315155 1081581398 /nfs/dbraw/zinc/58/13/98/1081581398.db2.gz HRRHFTGWDFHENU-LGZALOBFSA-N 1 3 318.465 2.383 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](C3CCCC3)C2)CC1 ZINC001270673449 1081597214 /nfs/dbraw/zinc/59/72/14/1081597214.db2.gz UAPPNUHSLOTKJZ-KRWDZBQOSA-N 1 3 319.493 2.338 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001270673449 1081597221 /nfs/dbraw/zinc/59/72/21/1081597221.db2.gz UAPPNUHSLOTKJZ-KRWDZBQOSA-N 1 3 319.493 2.338 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H](CC[NH2+]Cc2ccccc2)C1 ZINC001672917325 1081721504 /nfs/dbraw/zinc/72/15/04/1081721504.db2.gz VCPSOPKEWLPGEW-SFHVURJKSA-N 1 3 317.477 2.355 20 0 DEADHO CCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001673866870 1081805351 /nfs/dbraw/zinc/80/53/51/1081805351.db2.gz QJLRAGRYJOWHFR-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](CCCCCF)[C@@H](C)C1 ZINC001674156805 1081849661 /nfs/dbraw/zinc/84/96/61/1081849661.db2.gz WTLWHORMPVBLAU-JKSUJKDBSA-N 1 3 315.477 2.436 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](CCCCCF)[C@@H](C)C1 ZINC001674156805 1081849666 /nfs/dbraw/zinc/84/96/66/1081849666.db2.gz WTLWHORMPVBLAU-JKSUJKDBSA-N 1 3 315.477 2.436 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N2CC3(C2)CN(C2CCCC2)C3)CC1 ZINC001271142743 1081935127 /nfs/dbraw/zinc/93/51/27/1081935127.db2.gz JUYFTYCHNGKOHN-UHFFFAOYSA-N 1 3 319.493 2.194 20 0 DEADHO CCOC(=O)CC[NH+]1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC000705886273 1082034716 /nfs/dbraw/zinc/03/47/16/1082034716.db2.gz IOEMOHRKBDNQNY-IRXDYDNUSA-N 1 3 302.418 2.003 20 0 DEADHO CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)CC[C@H]21 ZINC001482663657 1082442770 /nfs/dbraw/zinc/44/27/70/1082442770.db2.gz BNAWWCYWIVOUCT-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CCCCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)CC[C@H]21 ZINC001482663657 1082442774 /nfs/dbraw/zinc/44/27/74/1082442774.db2.gz BNAWWCYWIVOUCT-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)CN(C)C2CCC2)cc1 ZINC001482840755 1082527117 /nfs/dbraw/zinc/52/71/17/1082527117.db2.gz ZZLGZZZTOQEFGG-MRXNPFEDSA-N 1 3 317.477 2.464 20 0 DEADHO C[C@H](CC[NH2+]Cc1cccnc1)NC(=O)CN(C)CC(C)(C)C ZINC001482874604 1082539802 /nfs/dbraw/zinc/53/98/02/1082539802.db2.gz JLKTYNYTWWSGFW-OAHLLOKOSA-N 1 3 320.481 2.044 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(CF)cc1)N(C)C ZINC001409567215 1082957951 /nfs/dbraw/zinc/95/79/51/1082957951.db2.gz BVBVGGFBAVUXHA-RHSMWYFYSA-N 1 3 323.456 2.433 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(CF)cc1)N(C)C ZINC001409567215 1082957952 /nfs/dbraw/zinc/95/79/52/1082957952.db2.gz BVBVGGFBAVUXHA-RHSMWYFYSA-N 1 3 323.456 2.433 20 0 DEADHO CCCC[NH2+]C[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001483266896 1083065197 /nfs/dbraw/zinc/06/51/97/1083065197.db2.gz WTXCEASARQXWOB-BBRMVZONSA-N 1 3 301.450 2.093 20 0 DEADHO COc1cccc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)c1 ZINC001413133593 1083382009 /nfs/dbraw/zinc/38/20/09/1083382009.db2.gz NGPZUSSWWZSUTP-QZTJIDSGSA-N 1 3 304.434 2.163 20 0 DEADHO COC(=O)c1ccc(CNC[C@@H]2C[NH+]3CCC2CC3)cc1C ZINC001413258157 1083475263 /nfs/dbraw/zinc/47/52/63/1083475263.db2.gz JMWCUPGZBLFQTJ-MRXNPFEDSA-N 1 3 302.418 2.213 20 0 DEADHO CCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3nc[nH]c3C)CCC[C@@H]12 ZINC001107621872 1083531674 /nfs/dbraw/zinc/53/16/74/1083531674.db2.gz ZVDMHGLKKNSYCR-NVXWUHKLSA-N 1 3 304.438 2.031 20 0 DEADHO CCC[N@H+]1CC[C@@]2(CNC(=O)Cc3nc[nH]c3C)CCC[C@@H]12 ZINC001107621872 1083531683 /nfs/dbraw/zinc/53/16/83/1083531683.db2.gz ZVDMHGLKKNSYCR-NVXWUHKLSA-N 1 3 304.438 2.031 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2CC[NH+]2CCC(C)CC2)C1 ZINC001413410994 1083567517 /nfs/dbraw/zinc/56/75/17/1083567517.db2.gz FWPIUPASINEEPY-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO CN(CCC[NH2+]Cc1ccccc1Cl)C(=O)CN1CCCC1 ZINC001276386780 1083895820 /nfs/dbraw/zinc/89/58/20/1083895820.db2.gz MXMYSLVYNUKWLF-UHFFFAOYSA-N 1 3 323.868 2.374 20 0 DEADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1cncc(C2CC2)c1 ZINC001277627007 1084065821 /nfs/dbraw/zinc/06/58/21/1084065821.db2.gz KUZIPOLCVGEBEJ-OALUTQOASA-N 1 3 314.477 2.169 20 0 DEADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1cncc(C2CC2)c1 ZINC001277627007 1084065830 /nfs/dbraw/zinc/06/58/30/1084065830.db2.gz KUZIPOLCVGEBEJ-OALUTQOASA-N 1 3 314.477 2.169 20 0 DEADHO CCSCC[NH+]1CCC2(CN(CCn3ccnc3)C2)CC1 ZINC001277916904 1084277492 /nfs/dbraw/zinc/27/74/92/1084277492.db2.gz OWXXJLHRDGCMDU-UHFFFAOYSA-N 1 3 308.495 2.034 20 0 DEADHO C[C@H](Cc1ccc2c(c1)OCO2)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC001235029833 1084282616 /nfs/dbraw/zinc/28/26/16/1084282616.db2.gz AFIQMTIGQDZGOI-KDOFPFPSSA-N 1 3 302.418 2.279 20 0 DEADHO FC1(F)CCNC[C@@]12CC[N@H+](Cc1ccc3c(c1)CCN3)C2 ZINC001235092662 1084307463 /nfs/dbraw/zinc/30/74/63/1084307463.db2.gz KPRHFVBDFDMVSN-MRXNPFEDSA-N 1 3 307.388 2.475 20 0 DEADHO FC1(F)CCNC[C@@]12CC[N@@H+](Cc1ccc3c(c1)CCN3)C2 ZINC001235092662 1084307474 /nfs/dbraw/zinc/30/74/74/1084307474.db2.gz KPRHFVBDFDMVSN-MRXNPFEDSA-N 1 3 307.388 2.475 20 0 DEADHO CN(C)CCN1CC[C@@]2(CC[N@H+](CCC3CCCCC3)C2)C1=O ZINC001272862726 1084390799 /nfs/dbraw/zinc/39/07/99/1084390799.db2.gz NEDMCBXZJVSNFB-LJQANCHMSA-N 1 3 321.509 2.443 20 0 DEADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](CCC3CCCCC3)C2)C1=O ZINC001272862726 1084390809 /nfs/dbraw/zinc/39/08/09/1084390809.db2.gz NEDMCBXZJVSNFB-LJQANCHMSA-N 1 3 321.509 2.443 20 0 DEADHO Cc1csc(C[N@H+]2CC[C@]3(CCN(CCN(C)C)C3=O)C2)c1 ZINC001272872992 1084400188 /nfs/dbraw/zinc/40/01/88/1084400188.db2.gz ZXNRPPXAAWBRQV-KRWDZBQOSA-N 1 3 321.490 2.043 20 0 DEADHO Cc1csc(C[N@@H+]2CC[C@]3(CCN(CCN(C)C)C3=O)C2)c1 ZINC001272872992 1084400194 /nfs/dbraw/zinc/40/01/94/1084400194.db2.gz ZXNRPPXAAWBRQV-KRWDZBQOSA-N 1 3 321.490 2.043 20 0 DEADHO CC[C@@H](N)C[N@@H+]1C[C@@H]2CC[C@H](C1)C2C(=O)Nc1cccc(F)c1 ZINC001235598686 1084475711 /nfs/dbraw/zinc/47/57/11/1084475711.db2.gz VRCHJJNNEDRVRP-AXLMJIKWSA-N 1 3 319.424 2.460 20 0 DEADHO CC[C@@H](N)C[N@H+]1C[C@@H]2CC[C@H](C1)C2C(=O)Nc1cccc(F)c1 ZINC001235598686 1084475716 /nfs/dbraw/zinc/47/57/16/1084475716.db2.gz VRCHJJNNEDRVRP-AXLMJIKWSA-N 1 3 319.424 2.460 20 0 DEADHO Fc1ccccc1CC1CC[NH+](CC[C@H]2CNCCO2)CC1 ZINC001235866025 1084552216 /nfs/dbraw/zinc/55/22/16/1084552216.db2.gz FYPKRQYFJMGTJS-KRWDZBQOSA-N 1 3 306.425 2.459 20 0 DEADHO Fc1ccc(C[C@@H]2CCC[N@H+](CC[C@H]3CNCCO3)C2)cc1 ZINC001236009936 1084590017 /nfs/dbraw/zinc/59/00/17/1084590017.db2.gz ZQFZBZGJTKYRAU-WMZOPIPTSA-N 1 3 306.425 2.459 20 0 DEADHO Fc1ccc(C[C@@H]2CCC[N@@H+](CC[C@H]3CNCCO3)C2)cc1 ZINC001236009936 1084590020 /nfs/dbraw/zinc/59/00/20/1084590020.db2.gz ZQFZBZGJTKYRAU-WMZOPIPTSA-N 1 3 306.425 2.459 20 0 DEADHO CSc1cc(C)cc(CN2CCC[C@H](N3CC([NH3+])C3)C2)c1 ZINC001236079818 1084608059 /nfs/dbraw/zinc/60/80/59/1084608059.db2.gz ZCGUZYVRIKBHGH-INIZCTEOSA-N 1 3 305.491 2.324 20 0 DEADHO CN(CCN1CC[NH2+]CC1)Cc1ccc2nc(Cl)ccc2c1 ZINC001236080848 1084609002 /nfs/dbraw/zinc/60/90/02/1084609002.db2.gz GZJMEIBDFFPZSC-UHFFFAOYSA-N 1 3 318.852 2.225 20 0 DEADHO CC(C)(C(=O)N[C@@H]1C[C@H]([NH2+]CC2CC2)C12CCC2)N1CCCC1 ZINC001078700625 1084815303 /nfs/dbraw/zinc/81/53/03/1084815303.db2.gz ORDOSVPFDKAJBL-JKSUJKDBSA-N 1 3 319.493 2.288 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CC2)C12CCC2 ZINC001078794508 1084898470 /nfs/dbraw/zinc/89/84/70/1084898470.db2.gz IINQLGGYVFVMMH-CVEARBPZSA-N 1 3 316.449 2.078 20 0 DEADHO CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CN1CC[C@@H](C)C1 ZINC000960305371 1085189849 /nfs/dbraw/zinc/18/98/49/1085189849.db2.gz ZNXXNQSEUWIXSX-LSBZLQRGSA-N 1 3 315.461 2.110 20 0 DEADHO CC(C)=CCN1CC=C(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001486514381 1085399084 /nfs/dbraw/zinc/39/90/84/1085399084.db2.gz VZXODONLRRKNTN-UHFFFAOYSA-N 1 3 305.466 2.043 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC1CC1)C2 ZINC000965933007 1085700264 /nfs/dbraw/zinc/70/02/64/1085700264.db2.gz HYYVYTWZAZEACH-RFSHTEQGSA-N 1 3 319.493 2.288 20 0 DEADHO Cc1ccc(CN2CCC[C@]23CCN(CC[NH+](C)C)C3=O)cc1 ZINC001272972035 1085731418 /nfs/dbraw/zinc/73/14/18/1085731418.db2.gz OUZAHTXCORJUGG-LJQANCHMSA-N 1 3 315.461 2.124 20 0 DEADHO C[C@@H](CC[NH2+]CCC1CCCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001273017607 1085972853 /nfs/dbraw/zinc/97/28/53/1085972853.db2.gz BXGUGLTZPMKLNU-HOTGVXAUSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC2CC(C[NH2+]CC3CCCC3)C2)C1 ZINC000962308322 1086061027 /nfs/dbraw/zinc/06/10/27/1086061027.db2.gz FKVKYARDQHTFRC-ODIFPOPNSA-N 1 3 307.482 2.003 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC2CC(C[NH2+]CC3CCCCC3)C2)C1 ZINC000962309927 1086062650 /nfs/dbraw/zinc/06/26/50/1086062650.db2.gz QLRJQYBSVRTGNR-FAEJEUNOSA-N 1 3 321.509 2.393 20 0 DEADHO CCc1ccccc1C[NH2+]CCNC(=O)[C@H](F)CN(CC)CC ZINC001128532954 1086186889 /nfs/dbraw/zinc/18/68/89/1086186889.db2.gz CBDSRWAMJFLSQM-QGZVFWFLSA-N 1 3 323.456 2.135 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+][C@H](C)c1ccccc1 ZINC001128543788 1086207017 /nfs/dbraw/zinc/20/70/17/1086207017.db2.gz FUIVRABKVPTOCZ-GDBMZVCRSA-N 1 3 309.429 2.133 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1cc(C)ccc1F)N(C)C ZINC001273122780 1086277504 /nfs/dbraw/zinc/27/75/04/1086277504.db2.gz HTUCSISAZQGPTF-RHSMWYFYSA-N 1 3 323.456 2.459 20 0 DEADHO CC[N@H+](CC1CC1)CC1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000957720097 1088571159 /nfs/dbraw/zinc/57/11/59/1088571159.db2.gz AHHNGQBEEOPMEG-GOSISDBHSA-N 1 3 321.509 2.297 20 0 DEADHO CC[N@@H+](CC1CC1)CC1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000957720097 1088571170 /nfs/dbraw/zinc/57/11/70/1088571170.db2.gz AHHNGQBEEOPMEG-GOSISDBHSA-N 1 3 321.509 2.297 20 0 DEADHO C[NH+](C)CCN1CC[C@]2(C1)CCCN(Cc1ccc(F)cn1)C2 ZINC001276343327 1089130612 /nfs/dbraw/zinc/13/06/12/1089130612.db2.gz GSURPROEMJPEBU-SFHVURJKSA-N 1 3 320.456 2.070 20 0 DEADHO CC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1ccccc1 ZINC001081125514 1089362265 /nfs/dbraw/zinc/36/22/65/1089362265.db2.gz DLECSOGOORYGLJ-ZWKOTPCHSA-N 1 3 315.461 2.075 20 0 DEADHO CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1c1ccccc1 ZINC001081179846 1089369285 /nfs/dbraw/zinc/36/92/85/1089369285.db2.gz NLUZLIOFBQYIFE-RYQLBKOJSA-N 1 3 315.461 2.075 20 0 DEADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC1CCCCC1 ZINC001082559322 1090005628 /nfs/dbraw/zinc/00/56/28/1090005628.db2.gz BCSULEBCMDVNRF-OLMNPRSZSA-N 1 3 321.509 2.343 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]Cc1ccsc1 ZINC001082741295 1090066593 /nfs/dbraw/zinc/06/65/93/1090066593.db2.gz WELJARQRTAVJSH-IJEWVQPXSA-N 1 3 321.490 2.169 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCC3CC3)C[C@H]21 ZINC001084388775 1090286688 /nfs/dbraw/zinc/28/66/88/1090286688.db2.gz FDYXDLJAWGULCV-FGTMMUONSA-N 1 3 319.493 2.194 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCC3CC3)C[C@H]21 ZINC001084388775 1090286692 /nfs/dbraw/zinc/28/66/92/1090286692.db2.gz FDYXDLJAWGULCV-FGTMMUONSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCC2)C1)N(C)C ZINC001410220629 1090436296 /nfs/dbraw/zinc/43/62/96/1090436296.db2.gz KNXWAJDYXCOLNM-ULQDDVLXSA-N 1 3 309.498 2.247 20 0 DEADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCCN3CCCC(C)(C)C3)C[N@@H+]2C1 ZINC001412081361 1091140180 /nfs/dbraw/zinc/14/01/80/1091140180.db2.gz XGVHVINPHOUARL-ZACQAIPSSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCCN3CCCC(C)(C)C3)C[N@H+]2C1 ZINC001412081361 1091140184 /nfs/dbraw/zinc/14/01/84/1091140184.db2.gz XGVHVINPHOUARL-ZACQAIPSSA-N 1 3 321.509 2.345 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2)[C@@H]1C ZINC001410873496 1091183425 /nfs/dbraw/zinc/18/34/25/1091183425.db2.gz VLDBVERXCGIHQN-DOTOQJQBSA-N 1 3 303.450 2.107 20 0 DEADHO CC[C@H](F)CNC/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001274414036 1091230881 /nfs/dbraw/zinc/23/08/81/1091230881.db2.gz QLOILLCDXDNENX-MIVXPEEVSA-N 1 3 313.461 2.259 20 0 DEADHO CC[C@H](F)CNC/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001274414036 1091230887 /nfs/dbraw/zinc/23/08/87/1091230887.db2.gz QLOILLCDXDNENX-MIVXPEEVSA-N 1 3 313.461 2.259 20 0 DEADHO CCC[NH2+]CC[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001320551038 1091313959 /nfs/dbraw/zinc/31/39/59/1091313959.db2.gz ZTYCAYCJNNMUOR-CZUORRHYSA-N 1 3 301.450 2.093 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@H](C)CC[NH+](C)C)N(C)C)cc1 ZINC001412470162 1091431503 /nfs/dbraw/zinc/43/15/03/1091431503.db2.gz HRBCJGIEIMMYEO-NVXWUHKLSA-N 1 3 305.466 2.302 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](C(=O)NCc2ccccc2CN(C)C)C1 ZINC001412527253 1091480667 /nfs/dbraw/zinc/48/06/67/1091480667.db2.gz LVHUQUNZGWKRSB-SFHVURJKSA-N 1 3 317.477 2.485 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](C(=O)NCc2ccccc2CN(C)C)C1 ZINC001412527253 1091480673 /nfs/dbraw/zinc/48/06/73/1091480673.db2.gz LVHUQUNZGWKRSB-SFHVURJKSA-N 1 3 317.477 2.485 20 0 DEADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCN(C2CCCC2)[C@@H](C)C1 ZINC001412610725 1091584776 /nfs/dbraw/zinc/58/47/76/1091584776.db2.gz LTLHHHWHGVJODZ-OAGGEKHMSA-N 1 3 307.482 2.335 20 0 DEADHO Cc1ccc(CN2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)o1 ZINC001275240379 1091630909 /nfs/dbraw/zinc/63/09/09/1091630909.db2.gz OQTCHUGFXNJHKV-UHFFFAOYSA-N 1 3 305.466 2.438 20 0 DEADHO Cc1ccc(CN2CCC3(CC[N@H+](CCN(C)C)C3)CC2)o1 ZINC001275240379 1091630914 /nfs/dbraw/zinc/63/09/14/1091630914.db2.gz OQTCHUGFXNJHKV-UHFFFAOYSA-N 1 3 305.466 2.438 20 0 DEADHO CN(C)CC[N@@H+]1CCC2(CN(Cc3cccc4[nH]ccc43)C2)C1 ZINC001276232247 1091723636 /nfs/dbraw/zinc/72/36/36/1091723636.db2.gz FPAPCLCUQBYFJH-UHFFFAOYSA-N 1 3 312.461 2.237 20 0 DEADHO CN(C)CC[N@H+]1CCC2(CN(Cc3cccc4[nH]ccc43)C2)C1 ZINC001276232247 1091723643 /nfs/dbraw/zinc/72/36/43/1091723643.db2.gz FPAPCLCUQBYFJH-UHFFFAOYSA-N 1 3 312.461 2.237 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]CCCN(C)C(=O)Cc1c[nH]cn1 ZINC001276245781 1091735012 /nfs/dbraw/zinc/73/50/12/1091735012.db2.gz VHSSTQBTBKRZOL-UHFFFAOYSA-N 1 3 318.396 2.038 20 0 DEADHO C[NH+]1C(C)(C)CC(N2CCNC[C@H]2C(F)(F)F)CC1(C)C ZINC001246989761 1091762471 /nfs/dbraw/zinc/76/24/71/1091762471.db2.gz LVCXDNYRWQKYMM-LBPRGKRZSA-N 1 3 307.404 2.474 20 0 DEADHO COc1cc(C)ccc1CN1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001276293703 1091769608 /nfs/dbraw/zinc/76/96/08/1091769608.db2.gz HCRDSEHACQKVNI-UHFFFAOYSA-N 1 3 317.477 2.073 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC000948766015 1091924057 /nfs/dbraw/zinc/92/40/57/1091924057.db2.gz GIQZKSFVEOGRFP-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC000948766015 1091924064 /nfs/dbraw/zinc/92/40/64/1091924064.db2.gz GIQZKSFVEOGRFP-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000948813200 1091950076 /nfs/dbraw/zinc/95/00/76/1091950076.db2.gz WIWQEQBKVSKUPK-INIZCTEOSA-N 1 3 304.438 2.065 20 0 DEADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000948813200 1091950083 /nfs/dbraw/zinc/95/00/83/1091950083.db2.gz WIWQEQBKVSKUPK-INIZCTEOSA-N 1 3 304.438 2.065 20 0 DEADHO CC1CC(C[N@@H+]2CCC[C@H](N(C)C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000948813226 1091950725 /nfs/dbraw/zinc/95/07/25/1091950725.db2.gz XHGLXOVDAFQWFD-DQPZFDDXSA-N 1 3 318.465 2.311 20 0 DEADHO CC1CC(C[N@H+]2CCC[C@H](N(C)C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000948813226 1091950732 /nfs/dbraw/zinc/95/07/32/1091950732.db2.gz XHGLXOVDAFQWFD-DQPZFDDXSA-N 1 3 318.465 2.311 20 0 DEADHO Cc1cccc(CN2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)n1 ZINC001275878411 1092261865 /nfs/dbraw/zinc/26/18/65/1092261865.db2.gz CNUPMVXSCBWINX-UHFFFAOYSA-N 1 3 316.493 2.240 20 0 DEADHO Cc1cccc(CN2CCC3(CC[N@H+](CCN(C)C)C3)CC2)n1 ZINC001275878411 1092261875 /nfs/dbraw/zinc/26/18/75/1092261875.db2.gz CNUPMVXSCBWINX-UHFFFAOYSA-N 1 3 316.493 2.240 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CCC1 ZINC001489056377 1092896998 /nfs/dbraw/zinc/89/69/98/1092896998.db2.gz UNCJYQDSDTUFFH-WBVHZDCISA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1[C@@H]2CCC[N@H+](CCC)[C@H]2C1(C)C ZINC001489084398 1092908194 /nfs/dbraw/zinc/90/81/94/1092908194.db2.gz HLOHCKYKFZMDNR-USXIJHARSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1[C@@H]2CCC[N@@H+](CCC)[C@H]2C1(C)C ZINC001489084398 1092908206 /nfs/dbraw/zinc/90/82/06/1092908206.db2.gz HLOHCKYKFZMDNR-USXIJHARSA-N 1 3 309.498 2.343 20 0 DEADHO CN1CCC[C@@H]1C(=O)NCCC[N@H+](C)Cc1ccc(Cl)cc1 ZINC001490164795 1093219774 /nfs/dbraw/zinc/21/97/74/1093219774.db2.gz NUEHXPUNXCORNM-MRXNPFEDSA-N 1 3 323.868 2.372 20 0 DEADHO CN1CCC[C@@H]1C(=O)NCCC[N@@H+](C)Cc1ccc(Cl)cc1 ZINC001490164795 1093219777 /nfs/dbraw/zinc/21/97/77/1093219777.db2.gz NUEHXPUNXCORNM-MRXNPFEDSA-N 1 3 323.868 2.372 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@@H]1CCCN(CC2=CCCCC2)C1 ZINC001490449480 1093364687 /nfs/dbraw/zinc/36/46/87/1093364687.db2.gz ULTALSVBKXNARY-QGZVFWFLSA-N 1 3 307.482 2.409 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]([NH2+]CC1=CCCCC1)C1CC1)N(C)C ZINC001490712607 1093478407 /nfs/dbraw/zinc/47/84/07/1093478407.db2.gz KYQKTSQORSTVCW-IRXDYDNUSA-N 1 3 307.482 2.311 20 0 DEADHO Cc1cccc(C[NH2+][C@H](CNC(=O)CN(C)C(C)C)C2CC2)c1 ZINC001490742101 1093500346 /nfs/dbraw/zinc/50/03/46/1093500346.db2.gz MLARHLHTHLBMTL-GOSISDBHSA-N 1 3 317.477 2.320 20 0 DEADHO CN(CCF)C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001490766043 1093518591 /nfs/dbraw/zinc/51/85/91/1093518591.db2.gz XGHAWUJPBFHKGB-OAHLLOKOSA-N 1 3 313.461 2.001 20 0 DEADHO N[C@@H]1NC(CN(Cc2ccccc2)C2CCC([NH3+])CC2)=CS1 ZINC001236227589 1138341354 /nfs/dbraw/zinc/34/13/54/1138341354.db2.gz HUNOGNZUFURLFV-BDVYOWHSSA-N 1 3 318.490 2.179 20 0 DEADHO CCOC(=O)c1cccc(CN2CCC3(C2)CC[NH+](C)CC3)n1 ZINC001236653389 1138390683 /nfs/dbraw/zinc/39/06/83/1138390683.db2.gz VOMJDYFVBMNZIH-UHFFFAOYSA-N 1 3 317.433 2.176 20 0 DEADHO CC[NH+](CC)CCN(C)Cc1cccc(N2CCN(C)CC2)c1 ZINC001236887040 1138448253 /nfs/dbraw/zinc/44/82/53/1138448253.db2.gz KOFHNFCRFUQVBM-UHFFFAOYSA-N 1 3 318.509 2.212 20 0 DEADHO Cc1ccc(CCN2CC3(C2)CC[N@@H+](CCN(C)C)C3)cc1 ZINC001278073078 1138551160 /nfs/dbraw/zinc/55/11/60/1138551160.db2.gz PKNRUYNQALEUJM-UHFFFAOYSA-N 1 3 301.478 2.107 20 0 DEADHO Cc1ccc(CCN2CC3(C2)CC[N@H+](CCN(C)C)C3)cc1 ZINC001278073078 1138551172 /nfs/dbraw/zinc/55/11/72/1138551172.db2.gz PKNRUYNQALEUJM-UHFFFAOYSA-N 1 3 301.478 2.107 20 0 DEADHO CC(C)C1=NCCc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc21 ZINC001237876050 1138807430 /nfs/dbraw/zinc/80/74/30/1138807430.db2.gz CCFUPGWVOFNODX-INIZCTEOSA-N 1 3 313.445 2.385 20 0 DEADHO CC(C)C1=NCCc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc21 ZINC001237876050 1138807431 /nfs/dbraw/zinc/80/74/31/1138807431.db2.gz CCFUPGWVOFNODX-INIZCTEOSA-N 1 3 313.445 2.385 20 0 DEADHO C[C@@H]1[C@@H]([NH2+]CCCCCF)CCN1C(=O)CN(C)C1CCC1 ZINC001278263478 1138864435 /nfs/dbraw/zinc/86/44/35/1138864435.db2.gz JDWDGMUGEBVHPY-ZBFHGGJFSA-N 1 3 313.461 2.190 20 0 DEADHO CCc1ccccc1NC(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239218415 1138991770 /nfs/dbraw/zinc/99/17/70/1138991770.db2.gz ZNOJTVODKQOEJL-HNNXBMFYSA-N 1 3 316.449 2.245 20 0 DEADHO Cc1ccc(NC(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)c(C)c1 ZINC001239216574 1138992318 /nfs/dbraw/zinc/99/23/18/1138992318.db2.gz OKIKSMUNEBXJTH-HNNXBMFYSA-N 1 3 316.449 2.299 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCF)C1 ZINC001316654733 1139078786 /nfs/dbraw/zinc/07/87/86/1139078786.db2.gz PBJKILOLNRMULU-XHSDSOJGSA-N 1 3 313.461 2.095 20 0 DEADHO CCCC[C@H](CC)COC[C@H](O)CNC[C@@H]1CCC[NH2+]C1 ZINC001245979961 1140840319 /nfs/dbraw/zinc/84/03/19/1140840319.db2.gz DBBNRTSEHXJXSF-GVDBMIGSSA-N 1 3 300.487 2.170 20 0 DEADHO CCc1ccc(CCNC[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC001245989935 1140843035 /nfs/dbraw/zinc/84/30/35/1140843035.db2.gz ZWSNQXWTXLXZHU-VQTJNVASSA-N 1 3 312.457 2.312 20 0 DEADHO O[C@@H](CN[C@H](c1cccc(F)c1)C1CC[NH2+]CC1)C(F)(F)F ZINC001245999527 1140844264 /nfs/dbraw/zinc/84/42/64/1140844264.db2.gz KPBHEQCJPKXUSZ-KBPBESRZSA-N 1 3 320.330 2.379 20 0 DEADHO CC(C)(C)c1ccc(OC[C@H](O)CNCC(C)(C)C[NH3+])cc1 ZINC001246005580 1140844880 /nfs/dbraw/zinc/84/48/80/1140844880.db2.gz VPDKIFCUBMSFEB-OAHLLOKOSA-N 1 3 308.466 2.298 20 0 DEADHO O[C@H](CN[C@@H](C1CCC1)C1C[NH2+]C1)COc1ccc(Cl)cc1 ZINC001246017561 1140846070 /nfs/dbraw/zinc/84/60/70/1140846070.db2.gz BOIFBAVXDCCZRF-WBVHZDCISA-N 1 3 324.852 2.057 20 0 DEADHO Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@@H](F)CN2)CCN1 ZINC001246105292 1140861582 /nfs/dbraw/zinc/86/15/82/1140861582.db2.gz CXGHQTXKFBKKMF-WBTNSWJXSA-N 1 3 309.404 2.217 20 0 DEADHO C[C@@H]1CC[C@@H](C[NH2+][C@H]2CCN(Cc3ccccc3)C(=O)C2)NC1 ZINC001246108794 1140861966 /nfs/dbraw/zinc/86/19/66/1140861966.db2.gz WOSZYPOBVDPRKR-NJAFHUGGSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@H]1CN[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001246118421 1140863286 /nfs/dbraw/zinc/86/32/86/1140863286.db2.gz HDYDMYWBBGSDFU-BPQIPLTHSA-N 1 3 315.461 2.013 20 0 DEADHO Clc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1[C@H]3CNC[C@@H]1COC3)C2 ZINC001246148298 1140866600 /nfs/dbraw/zinc/86/66/00/1140866600.db2.gz LNBAHBBYLVQNJQ-HDEZJCGLSA-N 1 3 306.837 2.021 20 0 DEADHO FC1(F)CNCC[C@@H]1C[NH2+][C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246225263 1140874999 /nfs/dbraw/zinc/87/49/99/1140874999.db2.gz BGJUBGWVKRPPHZ-IKGGRYGDSA-N 1 3 323.431 2.184 20 0 DEADHO O=C(c1ccccc1)N1CCC[C@@H](N[C@@H]2CCC[NH2+]C2)CC1 ZINC001246358917 1140888048 /nfs/dbraw/zinc/88/80/48/1140888048.db2.gz RFKQUXYXMTWONB-IAGOWNOFSA-N 1 3 301.434 2.023 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)CC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001320642822 1140888664 /nfs/dbraw/zinc/88/86/64/1140888664.db2.gz BESMDPSUEVTYLB-KGLIPLIRSA-N 1 3 319.440 2.246 20 0 DEADHO COc1cccc(C2(C[NH2+][C@@H]3CCN[C@@H](C)C3)CCOCC2)c1 ZINC001246374436 1140890132 /nfs/dbraw/zinc/89/01/32/1140890132.db2.gz LNLXJKOXAJFNNR-DOTOQJQBSA-N 1 3 318.461 2.474 20 0 DEADHO C[C@]1(N)CC[N@@H+]([C@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001246531732 1140938401 /nfs/dbraw/zinc/93/84/01/1140938401.db2.gz SQQALGAIRUXNSZ-WMZOPIPTSA-N 1 3 301.434 2.104 20 0 DEADHO C[C@]1(N)CC[N@H+]([C@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001246531732 1140938403 /nfs/dbraw/zinc/93/84/03/1140938403.db2.gz SQQALGAIRUXNSZ-WMZOPIPTSA-N 1 3 301.434 2.104 20 0 DEADHO [NH3+][C@@H]1CCCN(C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC001246543615 1140946928 /nfs/dbraw/zinc/94/69/28/1140946928.db2.gz VAOQMSZYYLCDBV-MRXNPFEDSA-N 1 3 319.424 2.244 20 0 DEADHO C[C@@]1([NH3+])CCCN([C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001246548032 1140956629 /nfs/dbraw/zinc/95/66/29/1140956629.db2.gz FBZAVKFYJDOGKR-IEBWSBKVSA-N 1 3 315.461 2.495 20 0 DEADHO C[C@@H](CSc1ccc(F)cc1)N1CCCC[C@@](O)(C[NH3+])C1 ZINC001246562578 1140965954 /nfs/dbraw/zinc/96/59/54/1140965954.db2.gz UJVPXWXISDPKDW-XJKSGUPXSA-N 1 3 312.454 2.482 20 0 DEADHO C[C@@H](CSc1ccc(F)cc1)[N@@H+]1CCCC[C@@](O)(CN)C1 ZINC001246562578 1140965968 /nfs/dbraw/zinc/96/59/68/1140965968.db2.gz UJVPXWXISDPKDW-XJKSGUPXSA-N 1 3 312.454 2.482 20 0 DEADHO C[C@@H](CSc1ccc(F)cc1)[N@H+]1CCCC[C@@](O)(CN)C1 ZINC001246562578 1140965981 /nfs/dbraw/zinc/96/59/81/1140965981.db2.gz UJVPXWXISDPKDW-XJKSGUPXSA-N 1 3 312.454 2.482 20 0 DEADHO CCCCC[C@@H](C)N1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001246666152 1141028603 /nfs/dbraw/zinc/02/86/03/1141028603.db2.gz HQSXAKDMHJWQDH-MRXNPFEDSA-N 1 3 322.497 2.429 20 0 DEADHO C[C@@H]1C[C@H]([NH+]2C[C@H]3CN(Cc4cccs4)C[C@@H]3C2)CCN1 ZINC001246706375 1141039900 /nfs/dbraw/zinc/03/99/00/1141039900.db2.gz KLPZPNRUDZOBLI-KLHDSHLOSA-N 1 3 305.491 2.252 20 0 DEADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)CCN1 ZINC001246731214 1141047236 /nfs/dbraw/zinc/04/72/36/1141047236.db2.gz VCOFVUYAGFWFNI-VDHUWJSZSA-N 1 3 313.445 2.397 20 0 DEADHO C[C@@H]1C[C@H]([N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)CCN1 ZINC001246731214 1141047244 /nfs/dbraw/zinc/04/72/44/1141047244.db2.gz VCOFVUYAGFWFNI-VDHUWJSZSA-N 1 3 313.445 2.397 20 0 DEADHO FC(F)(F)c1ccc(-c2noc([C@H]3CNCC34C[NH2+]C4)n2)cc1 ZINC001247830863 1141544611 /nfs/dbraw/zinc/54/46/11/1141544611.db2.gz PVEKOKKEFIWGIC-LLVKDONJSA-N 1 3 324.306 2.032 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CCC(F)(F)F)C1 ZINC001278608082 1142339051 /nfs/dbraw/zinc/33/90/51/1142339051.db2.gz JFLWKADYAJLCHQ-CHWSQXEVSA-N 1 3 323.403 2.155 20 0 DEADHO CC(C)CN1CCC([NH2+]C[C@H](O)COc2ccccc2)CC1 ZINC001251247706 1142408170 /nfs/dbraw/zinc/40/81/70/1142408170.db2.gz MZAMBMLWCFETGA-KRWDZBQOSA-N 1 3 306.450 2.136 20 0 DEADHO CC(C)N1CC[C@@H]([NH2+]C[C@H](O)COc2ccccc2)[C@H](C)C1 ZINC001251259312 1142414288 /nfs/dbraw/zinc/41/42/88/1142414288.db2.gz DZFDGFBDNYIKNF-SOLBZPMBSA-N 1 3 306.450 2.135 20 0 DEADHO Cc1ccccc1OC[C@H](O)CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001251739693 1142501604 /nfs/dbraw/zinc/50/16/04/1142501604.db2.gz ITQXVGRADAQFIZ-ZJPYXAASSA-N 1 3 318.461 2.340 20 0 DEADHO Cc1ccccc1OC[C@H](O)CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001251739693 1142501609 /nfs/dbraw/zinc/50/16/09/1142501609.db2.gz ITQXVGRADAQFIZ-ZJPYXAASSA-N 1 3 318.461 2.340 20 0 DEADHO CCN(CC)C[C@H](O)C[N@H+](CC)CCc1ccc(OC)cc1 ZINC001253192083 1142851590 /nfs/dbraw/zinc/85/15/90/1142851590.db2.gz JEZUICNZUUSNAM-KRWDZBQOSA-N 1 3 308.466 2.262 20 0 DEADHO CCN(CC)C[C@H](O)C[N@@H+](CC)CCc1ccc(OC)cc1 ZINC001253192083 1142851591 /nfs/dbraw/zinc/85/15/91/1142851591.db2.gz JEZUICNZUUSNAM-KRWDZBQOSA-N 1 3 308.466 2.262 20 0 DEADHO CC[NH+](CC)C[C@H](O)CNC(C)(C)Cc1cccc(OC)c1 ZINC001253213045 1142855178 /nfs/dbraw/zinc/85/51/78/1142855178.db2.gz JUSIXOVJWRDUMA-MRXNPFEDSA-N 1 3 308.466 2.309 20 0 DEADHO CN1CCC[C@@H]1CC[NH2+]C[C@@H](O)CCOCc1ccccc1 ZINC001253289173 1142861371 /nfs/dbraw/zinc/86/13/71/1142861371.db2.gz KSKPRBBHYAHHRK-MSOLQXFVSA-N 1 3 306.450 2.028 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCNC[C@@H](O)CCOCc1ccccc1 ZINC001253289173 1142861373 /nfs/dbraw/zinc/86/13/73/1142861373.db2.gz KSKPRBBHYAHHRK-MSOLQXFVSA-N 1 3 306.450 2.028 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCNC[C@@H](O)CCOCc1ccccc1 ZINC001253289173 1142861375 /nfs/dbraw/zinc/86/13/75/1142861375.db2.gz KSKPRBBHYAHHRK-MSOLQXFVSA-N 1 3 306.450 2.028 20 0 DEADHO COC(=O)C[C@@H]([NH2+][C@H]1CCCN(C)CC1)c1cccc(OC)c1 ZINC001254511462 1143161725 /nfs/dbraw/zinc/16/17/25/1143161725.db2.gz ADMXBCPULBZGCS-DOTOQJQBSA-N 1 3 320.433 2.373 20 0 DEADHO Cc1cc([C@H]([NH3+])CC(=O)N2[C@H](C)CN[C@@H](C)[C@@H]2C)cc(Cl)n1 ZINC001341031737 1143527455 /nfs/dbraw/zinc/52/74/55/1143527455.db2.gz XBHGGXPSFFSXDI-OWTLIXCDSA-N 1 3 324.856 2.031 20 0 DEADHO CCCC[C@H](C)[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001255325602 1143557645 /nfs/dbraw/zinc/55/76/45/1143557645.db2.gz LDXMIWPVTLZECL-INIZCTEOSA-N 1 3 319.493 2.389 20 0 DEADHO CCCC[C@H](C)[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001255325602 1143557670 /nfs/dbraw/zinc/55/76/70/1143557670.db2.gz LDXMIWPVTLZECL-INIZCTEOSA-N 1 3 319.493 2.389 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001421667001 1171890267 /nfs/dbraw/zinc/89/02/67/1171890267.db2.gz NPLIDROQHZIUTI-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)N1CCN(CC[NH2+][C@H](C)Cc2ccc(F)cc2)CC1 ZINC001255860681 1143811241 /nfs/dbraw/zinc/81/12/41/1143811241.db2.gz MHLJWQCTMLKYGP-MRXNPFEDSA-N 1 3 307.457 2.372 20 0 DEADHO CCN(CC)CC[C@H](C)[NH2+]C1CCN(c2ccncn2)CC1 ZINC001255951146 1143816224 /nfs/dbraw/zinc/81/62/24/1143816224.db2.gz GXCYGXWNMFKCGW-HNNXBMFYSA-N 1 3 305.470 2.155 20 0 DEADHO CCN(CC)CC[C@H](C)[NH2+]C1CCN(c2cc(C)ncn2)CC1 ZINC001255951322 1143816253 /nfs/dbraw/zinc/81/62/53/1143816253.db2.gz IFWGTQQABKXDAI-HNNXBMFYSA-N 1 3 319.497 2.464 20 0 DEADHO CC1(C)CC(N)CC(C)(C)[NH+]1C1CCN(c2ncccn2)CC1 ZINC001256046811 1143825155 /nfs/dbraw/zinc/82/51/55/1143825155.db2.gz RDOVYYCULLBPBE-UHFFFAOYSA-N 1 3 317.481 2.426 20 0 DEADHO c1ccc(-c2noc(CCNC3CC[NH+](C4CC4)CC3)n2)cc1 ZINC001256067163 1143826928 /nfs/dbraw/zinc/82/69/28/1143826928.db2.gz KEMPGZWNNFITNS-UHFFFAOYSA-N 1 3 312.417 2.496 20 0 DEADHO C[C@@H](Cc1ccccn1)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001256405916 1143846858 /nfs/dbraw/zinc/84/68/58/1143846858.db2.gz QQYHJVVMBRNZPQ-BQFCYCMXSA-N 1 3 303.450 2.246 20 0 DEADHO CCOC(=O)[C@]12C[C@H]1CCN2C1CCN(c2cc[nH+]cc2)CC1 ZINC001256856889 1143871113 /nfs/dbraw/zinc/87/11/13/1143871113.db2.gz NICKNIQIWAALAE-KDOFPFPSSA-N 1 3 315.417 2.078 20 0 DEADHO COc1ccc(C[C@@H](CO)NC2CC[NH+](C(C)C)CC2)cc1 ZINC001257209063 1143892999 /nfs/dbraw/zinc/89/29/99/1143892999.db2.gz YIIZJUMQWXCYJG-KRWDZBQOSA-N 1 3 306.450 2.061 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]C/C=C/Cl)C(C)(C)C)N(C)C ZINC001279002407 1143895103 /nfs/dbraw/zinc/89/51/03/1143895103.db2.gz NTXUCFADWNOTMP-TYDXBBDOSA-N 1 3 303.878 2.200 20 0 DEADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](C1CCCCC1)CC2 ZINC001257456642 1143921637 /nfs/dbraw/zinc/92/16/37/1143921637.db2.gz XHLOHXNGJHDCDV-UHFFFAOYSA-N 1 3 317.477 2.143 20 0 DEADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](C1CCCCC1)CC2 ZINC001257456642 1143921638 /nfs/dbraw/zinc/92/16/38/1143921638.db2.gz XHLOHXNGJHDCDV-UHFFFAOYSA-N 1 3 317.477 2.143 20 0 DEADHO CC(C)CN1CCC([NH2+][C@@H]2CCN(C(=O)C(C)(C)C)C2)CC1 ZINC001258008139 1143964839 /nfs/dbraw/zinc/96/48/39/1143964839.db2.gz GXGMAUOMVSZVPA-MRXNPFEDSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CN1CCC([N@H+]2CCc3ccc(=O)[nH]c3CC2)CC1 ZINC001258016730 1143965945 /nfs/dbraw/zinc/96/59/45/1143965945.db2.gz CTWCBFFKNIJZAW-UHFFFAOYSA-N 1 3 303.450 2.308 20 0 DEADHO CC(C)CN1CCC([N@@H+]2CCc3ccc(=O)[nH]c3CC2)CC1 ZINC001258016730 1143965946 /nfs/dbraw/zinc/96/59/46/1143965946.db2.gz CTWCBFFKNIJZAW-UHFFFAOYSA-N 1 3 303.450 2.308 20 0 DEADHO CCC(=O)N(C)C1CC[NH+](C2CCN(CC(C)C)CC2)CC1 ZINC001258018377 1143966360 /nfs/dbraw/zinc/96/63/60/1143966360.db2.gz MGDNSZNYCNMPPX-UHFFFAOYSA-N 1 3 309.498 2.440 20 0 DEADHO C[N@@H+]1CCCC[C@@H](CNCCC(=O)Nc2ccccc2F)C1 ZINC001262571441 1144320409 /nfs/dbraw/zinc/32/04/09/1144320409.db2.gz VCOXGVBTUJPGBG-AWEZNQCLSA-N 1 3 307.413 2.476 20 0 DEADHO C[N@H+]1CCCC[C@@H](CNCCC(=O)Nc2ccccc2F)C1 ZINC001262571441 1144320411 /nfs/dbraw/zinc/32/04/11/1144320411.db2.gz VCOXGVBTUJPGBG-AWEZNQCLSA-N 1 3 307.413 2.476 20 0 DEADHO CN1CCCC[C@@H](C[NH2+]CCC(=O)Nc2ccccc2F)C1 ZINC001262571441 1144320414 /nfs/dbraw/zinc/32/04/14/1144320414.db2.gz VCOXGVBTUJPGBG-AWEZNQCLSA-N 1 3 307.413 2.476 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCCF)C1 ZINC001264404915 1144530721 /nfs/dbraw/zinc/53/07/21/1144530721.db2.gz QOZPFUAAFUBKKK-XHSDSOJGSA-N 1 3 313.461 2.093 20 0 DEADHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@H]1CC[NH2+]CC1CCC1 ZINC001264518007 1144556571 /nfs/dbraw/zinc/55/65/71/1144556571.db2.gz NSMIQRFEVCFPQW-PBHICJAKSA-N 1 3 318.465 2.359 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[N@H+](C)CC2CCCCC2)C1 ZINC001265037299 1144629820 /nfs/dbraw/zinc/62/98/20/1144629820.db2.gz VAHHEZGRCAKPGD-INIZCTEOSA-N 1 3 309.498 2.347 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[N@@H+](C)CC2CCCCC2)C1 ZINC001265037299 1144629821 /nfs/dbraw/zinc/62/98/21/1144629821.db2.gz VAHHEZGRCAKPGD-INIZCTEOSA-N 1 3 309.498 2.347 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC[N@H+](C)Cc1cccc(F)c1)N(C)C ZINC001265866170 1144749047 /nfs/dbraw/zinc/74/90/47/1144749047.db2.gz JINJBXLBGNLTME-KRWDZBQOSA-N 1 3 323.456 2.350 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC[N@@H+](C)Cc1cccc(F)c1)N(C)C ZINC001265866170 1144749049 /nfs/dbraw/zinc/74/90/49/1144749049.db2.gz JINJBXLBGNLTME-KRWDZBQOSA-N 1 3 323.456 2.350 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)CC[C@@H](C)F ZINC001265933023 1144762259 /nfs/dbraw/zinc/76/22/59/1144762259.db2.gz DJBVGGLVRQORBC-HZPDHXFCSA-N 1 3 315.477 2.436 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[N@H+](C)CC[C@@H](C)F ZINC001265933023 1144762262 /nfs/dbraw/zinc/76/22/62/1144762262.db2.gz DJBVGGLVRQORBC-HZPDHXFCSA-N 1 3 315.477 2.436 20 0 DEADHO CC(C)=CC[N@H+]1CC=C(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001279574076 1144825089 /nfs/dbraw/zinc/82/50/89/1144825089.db2.gz NDXSJORGJHMYQB-UHFFFAOYSA-N 1 3 305.466 2.185 20 0 DEADHO CC(C)=CC[N@@H+]1CC=C(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001279574076 1144825091 /nfs/dbraw/zinc/82/50/91/1144825091.db2.gz NDXSJORGJHMYQB-UHFFFAOYSA-N 1 3 305.466 2.185 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001280207982 1144833741 /nfs/dbraw/zinc/83/37/41/1144833741.db2.gz QGWIEBJEJCCJCJ-HZPDHXFCSA-N 1 3 320.481 2.463 20 0 DEADHO CN(C)c1ccncc1CNCC1([NH+](C)C)Cc2ccccc2C1 ZINC001364581856 1145359203 /nfs/dbraw/zinc/35/92/03/1145359203.db2.gz QCYVQISULRJFFB-UHFFFAOYSA-N 1 3 324.472 2.336 20 0 DEADHO CC(C)=CCN(C)CCN(C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001284554020 1145870597 /nfs/dbraw/zinc/87/05/97/1145870597.db2.gz XNINUINDEPGFFO-UHFFFAOYSA-N 1 3 307.482 2.217 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1 ZINC001365846632 1146026708 /nfs/dbraw/zinc/02/67/08/1146026708.db2.gz DUHDYFVSJANSLK-SHTZXODSSA-N 1 3 309.479 2.073 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CC12CC[NH+](CCC(C)C)CC2)N(C)C ZINC001366004041 1147003560 /nfs/dbraw/zinc/00/35/60/1147003560.db2.gz DAICXGZCCBEMNM-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1F)C1CC1)N(C)C ZINC001366070527 1147039162 /nfs/dbraw/zinc/03/91/62/1147039162.db2.gz YAPNJKACXAGVCS-SJORKVTESA-N 1 3 321.440 2.150 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001366226690 1147132153 /nfs/dbraw/zinc/13/21/53/1147132153.db2.gz NHNBOTHTNQERLU-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001366226690 1147132166 /nfs/dbraw/zinc/13/21/66/1147132166.db2.gz NHNBOTHTNQERLU-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)NC/C=C\Cl ZINC001366343956 1147224937 /nfs/dbraw/zinc/22/49/37/1147224937.db2.gz JYPBWUTYJIAKBY-PRUHKGEBSA-N 1 3 309.841 2.209 20 0 DEADHO C[C@@H](CCNC(=O)CN(C)CC(C)(C)C)[NH2+]C/C=C/Cl ZINC001366482206 1147303055 /nfs/dbraw/zinc/30/30/55/1147303055.db2.gz FERUWWZSNNPIOH-CFNZNRNTSA-N 1 3 303.878 2.201 20 0 DEADHO Cc1cc(C[NH2+][C@H](C)CCNC(=O)CN2CC[C@H](C)C2)cs1 ZINC001366486676 1147306876 /nfs/dbraw/zinc/30/68/76/1147306876.db2.gz OMKKRCZASXJYGN-UONOGXRCSA-N 1 3 323.506 2.383 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)[C@H](C(C)C)[NH+](C)C)c(C)c1 ZINC001366541481 1147339232 /nfs/dbraw/zinc/33/92/32/1147339232.db2.gz RHOFVIPYXCZTDW-SFHVURJKSA-N 1 3 319.493 2.438 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]C/C=C\Cl ZINC001316709020 1147550913 /nfs/dbraw/zinc/55/09/13/1147550913.db2.gz PZGNFRCLGITDGV-IORUMNFESA-N 1 3 315.889 2.296 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]C/C=C/Cl ZINC001316709021 1147551231 /nfs/dbraw/zinc/55/12/31/1147551231.db2.gz PZGNFRCLGITDGV-ZWXLGZMVSA-N 1 3 315.889 2.296 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1C[NH+](CCC2CCCC2)C1)N(C)C ZINC001366971934 1147627101 /nfs/dbraw/zinc/62/71/01/1147627101.db2.gz QRNZRZVOAFRXIV-KRWDZBQOSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC2=CCCCC2)C1)N(C)C ZINC001316985834 1147643884 /nfs/dbraw/zinc/64/38/84/1147643884.db2.gz JDHHZIKXUHQPGB-DLBZAZTESA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)C1)N(C)C ZINC001316985834 1147643885 /nfs/dbraw/zinc/64/38/85/1147643885.db2.gz JDHHZIKXUHQPGB-DLBZAZTESA-N 1 3 307.482 2.264 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+]CC[C@@H](C)F ZINC001317197351 1147674662 /nfs/dbraw/zinc/67/46/62/1147674662.db2.gz SLBMGQAKPURMEX-HUUCEWRRSA-N 1 3 301.450 2.047 20 0 DEADHO CC[C@H](F)C[NH2+]C1(CNC(=O)CN(C)C(C)C)CCCC1 ZINC001367330378 1147679168 /nfs/dbraw/zinc/67/91/68/1147679168.db2.gz LFJARMZLUBGZRC-AWEZNQCLSA-N 1 3 301.450 2.093 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(C)c1)N(C)C ZINC001367276054 1147672936 /nfs/dbraw/zinc/67/29/36/1147672936.db2.gz ZXXFZWVPYDULBM-RDJZCZTQSA-N 1 3 305.466 2.177 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+]Cc1cccc(C)c1 ZINC001367288201 1147674334 /nfs/dbraw/zinc/67/43/34/1147674334.db2.gz LNBFAXNZMHHKKM-CQSZACIVSA-N 1 3 314.433 2.111 20 0 DEADHO CN(CC[N@H+](C)CC1CCC2(CC2)CC1)C(=O)[C@@H]1CCCN1C ZINC001367508822 1147705077 /nfs/dbraw/zinc/70/50/77/1147705077.db2.gz CXURYJDXSUFKCZ-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CN(CC[N@@H+](C)CC1CCC2(CC2)CC1)C(=O)[C@@H]1CCCN1C ZINC001367508822 1147705078 /nfs/dbraw/zinc/70/50/78/1147705078.db2.gz CXURYJDXSUFKCZ-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H](F)CC[N@H+](C)CCN(C)C(=O)CN(C)CC(C)(C)C ZINC001367532797 1147710570 /nfs/dbraw/zinc/71/05/70/1147710570.db2.gz GNXNBGPZKZXAMZ-CQSZACIVSA-N 1 3 303.466 2.103 20 0 DEADHO C[C@@H](F)CC[N@@H+](C)CCN(C)C(=O)CN(C)CC(C)(C)C ZINC001367532797 1147710572 /nfs/dbraw/zinc/71/05/72/1147710572.db2.gz GNXNBGPZKZXAMZ-CQSZACIVSA-N 1 3 303.466 2.103 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001367804308 1147749234 /nfs/dbraw/zinc/74/92/34/1147749234.db2.gz MMSORRNUCCMESN-AEFFLSMTSA-N 1 3 317.477 2.498 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001367804308 1147749236 /nfs/dbraw/zinc/74/92/36/1147749236.db2.gz MMSORRNUCCMESN-AEFFLSMTSA-N 1 3 317.477 2.498 20 0 DEADHO Cc1ccccc1C[N@@H+](C)C[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001367827495 1147754580 /nfs/dbraw/zinc/75/45/80/1147754580.db2.gz ADUQCONGEKPMIB-WBVHZDCISA-N 1 3 317.477 2.273 20 0 DEADHO Cc1ccccc1C[N@H+](C)C[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001367827495 1147754582 /nfs/dbraw/zinc/75/45/82/1147754582.db2.gz ADUQCONGEKPMIB-WBVHZDCISA-N 1 3 317.477 2.273 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(CF)cc1)N(C)C ZINC001367847328 1147759952 /nfs/dbraw/zinc/75/99/52/1147759952.db2.gz HGWCKVSCHVHEMN-WMLDXEAASA-N 1 3 323.456 2.433 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(CF)cc1)N(C)C ZINC001367847328 1147759954 /nfs/dbraw/zinc/75/99/54/1147759954.db2.gz HGWCKVSCHVHEMN-WMLDXEAASA-N 1 3 323.456 2.433 20 0 DEADHO C[C@@H]([NH3+])C[C@@H](C)NCCNC(=O)c1ccccc1C(F)(F)F ZINC001325745667 1147994269 /nfs/dbraw/zinc/99/42/69/1147994269.db2.gz ZSICNYALOIYNOJ-GHMZBOCLSA-N 1 3 317.355 2.151 20 0 DEADHO OCCCOCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001325887615 1148014965 /nfs/dbraw/zinc/01/49/65/1148014965.db2.gz GZYBISVGYIEZJA-LDLYASANSA-N 1 3 318.461 2.171 20 0 DEADHO OCCCOCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001325887615 1148014969 /nfs/dbraw/zinc/01/49/69/1148014969.db2.gz GZYBISVGYIEZJA-LDLYASANSA-N 1 3 318.461 2.171 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@](C)(C[NH2+]CC2CC(C)C2)C1 ZINC001368201886 1148322189 /nfs/dbraw/zinc/32/21/89/1148322189.db2.gz DCEMHTZDSGURJM-LEOMRAHMSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H](Cn1cccn1)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000138344763 282099177 /nfs/dbraw/zinc/09/91/77/282099177.db2.gz KXGRBUWOZHCLSD-PKOBYXMFSA-N 1 3 312.461 2.426 20 0 DEADHO C[C@@H](Cn1cccn1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000138344763 282099180 /nfs/dbraw/zinc/09/91/80/282099180.db2.gz KXGRBUWOZHCLSD-PKOBYXMFSA-N 1 3 312.461 2.426 20 0 DEADHO C[C@@H](Cn1cccn1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000138344763 282099182 /nfs/dbraw/zinc/09/91/82/282099182.db2.gz KXGRBUWOZHCLSD-PKOBYXMFSA-N 1 3 312.461 2.426 20 0 DEADHO Cn1ccnc1COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000424338576 230618221 /nfs/dbraw/zinc/61/82/21/230618221.db2.gz UJUWUGOXRBIGBY-IAGOWNOFSA-N 1 3 314.433 2.359 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000422984828 230305691 /nfs/dbraw/zinc/30/56/91/230305691.db2.gz BMDFGMKVOYOMRM-JQFCIGGWSA-N 1 3 306.425 2.490 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC1(Cc2ccc(F)cc2)CC1 ZINC000422984828 230305695 /nfs/dbraw/zinc/30/56/95/230305695.db2.gz BMDFGMKVOYOMRM-JQFCIGGWSA-N 1 3 306.425 2.490 20 0 DEADHO CN(C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000360025894 282186451 /nfs/dbraw/zinc/18/64/51/282186451.db2.gz VJSMOMXHTYLKPN-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000360025894 282186452 /nfs/dbraw/zinc/18/64/52/282186452.db2.gz VJSMOMXHTYLKPN-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000417836470 529611062 /nfs/dbraw/zinc/61/10/62/529611062.db2.gz OVYNAQSLGCXRQY-VDZJLULYSA-N 1 3 315.461 2.145 20 0 DEADHO C[C@@H]1CN(CC2CC[NH+](CC3=CCCOC3)CC2)C[C@@H](C)O1 ZINC000092587474 185327295 /nfs/dbraw/zinc/32/72/95/185327295.db2.gz DCQWTNWJNHASNY-HZPDHXFCSA-N 1 3 308.466 2.154 20 0 DEADHO CN(CCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CC(F)(F)F ZINC000422857796 529891737 /nfs/dbraw/zinc/89/17/37/529891737.db2.gz HXABVAXGFPAUIZ-MCIONIFRSA-N 1 3 307.404 2.381 20 0 DEADHO CCN(CCC[NH+](C)C)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000189096281 282307487 /nfs/dbraw/zinc/30/74/87/282307487.db2.gz DHYPBVIGSNYLSS-MRXNPFEDSA-N 1 3 312.502 2.090 20 0 DEADHO CN(CC[C@@H]1CCOC1=O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000246385202 529931313 /nfs/dbraw/zinc/93/13/13/529931313.db2.gz JIKYFAHMDAUMHB-QZTJIDSGSA-N 1 3 316.445 2.394 20 0 DEADHO CN(CC[C@@H]1CCOC1=O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000246385202 529931314 /nfs/dbraw/zinc/93/13/14/529931314.db2.gz JIKYFAHMDAUMHB-QZTJIDSGSA-N 1 3 316.445 2.394 20 0 DEADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448259790 529965766 /nfs/dbraw/zinc/96/57/66/529965766.db2.gz GWFSNDOPUMAXOC-JKSUJKDBSA-N 1 3 324.513 2.090 20 0 DEADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448259790 529965767 /nfs/dbraw/zinc/96/57/67/529965767.db2.gz GWFSNDOPUMAXOC-JKSUJKDBSA-N 1 3 324.513 2.090 20 0 DEADHO C[N@@H+]1CCC[C@]2(CCN(C[C@@H](O)Cc3ccc(F)cc3)C2)C1 ZINC000292903273 530065363 /nfs/dbraw/zinc/06/53/63/530065363.db2.gz GTFWNMWJPXEZJD-ROUUACIJSA-N 1 3 306.425 2.147 20 0 DEADHO C[N@H+]1CCC[C@]2(CCN(C[C@@H](O)Cc3ccc(F)cc3)C2)C1 ZINC000292903273 530065364 /nfs/dbraw/zinc/06/53/64/530065364.db2.gz GTFWNMWJPXEZJD-ROUUACIJSA-N 1 3 306.425 2.147 20 0 DEADHO CN1CCC(Nc2ccccc2NC(=O)CC2(C[NH3+])CC2)CC1 ZINC000423380902 530050488 /nfs/dbraw/zinc/05/04/88/530050488.db2.gz ZCTFIXSFXGWMSI-UHFFFAOYSA-N 1 3 316.449 2.260 20 0 DEADHO CCOC[C@@H]1CC[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000093838694 539432467 /nfs/dbraw/zinc/43/24/67/539432467.db2.gz XNUIDFBECUIPEA-QGZVFWFLSA-N 1 3 306.450 2.485 20 0 DEADHO CCOC[C@@H]1CC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000093838694 539432471 /nfs/dbraw/zinc/43/24/71/539432471.db2.gz XNUIDFBECUIPEA-QGZVFWFLSA-N 1 3 306.450 2.485 20 0 DEADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCC1 ZINC000124431642 539470131 /nfs/dbraw/zinc/47/01/31/539470131.db2.gz QMJPBIVQSXCAFY-CQSZACIVSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](CC[NH+](C)C)NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000286883418 219209688 /nfs/dbraw/zinc/20/96/88/219209688.db2.gz DKWXWLJMZKRPDT-OAHLLOKOSA-N 1 3 324.469 2.083 20 0 DEADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2ccccc2Cl)CC[N@@H+]1C ZINC000158146567 539576233 /nfs/dbraw/zinc/57/62/33/539576233.db2.gz FWPIMUSVRBUJBV-RDBSUJKOSA-N 1 3 312.841 2.152 20 0 DEADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2ccccc2Cl)CC[N@H+]1C ZINC000158146567 539576238 /nfs/dbraw/zinc/57/62/38/539576238.db2.gz FWPIMUSVRBUJBV-RDBSUJKOSA-N 1 3 312.841 2.152 20 0 DEADHO COC1CCN(CCNC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000163625282 539601462 /nfs/dbraw/zinc/60/14/62/539601462.db2.gz IDJYCBVDBVKHEF-UHFFFAOYSA-N 1 3 323.525 2.484 20 0 DEADHO C(CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1nnc2n1CCCCC2 ZINC000166468524 539609172 /nfs/dbraw/zinc/60/91/72/539609172.db2.gz FKUALAXMLBUQQT-HZPDHXFCSA-N 1 3 317.481 2.154 20 0 DEADHO C(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1nnc2n1CCCCC2 ZINC000166468524 539609176 /nfs/dbraw/zinc/60/91/76/539609176.db2.gz FKUALAXMLBUQQT-HZPDHXFCSA-N 1 3 317.481 2.154 20 0 DEADHO C(CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1nnc2n1CCCCC2 ZINC000166468639 539609768 /nfs/dbraw/zinc/60/97/68/539609768.db2.gz FKUALAXMLBUQQT-JKSUJKDBSA-N 1 3 317.481 2.154 20 0 DEADHO C(CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1nnc2n1CCCCC2 ZINC000166468639 539609770 /nfs/dbraw/zinc/60/97/70/539609770.db2.gz FKUALAXMLBUQQT-JKSUJKDBSA-N 1 3 317.481 2.154 20 0 DEADHO CC(C)C[C@@H](N)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000166208967 539609849 /nfs/dbraw/zinc/60/98/49/539609849.db2.gz UBMBRSPFUOIOHX-MRXNPFEDSA-N 1 3 323.506 2.450 20 0 DEADHO CCc1nn(C)cc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000180508632 539645698 /nfs/dbraw/zinc/64/56/98/539645698.db2.gz CDEKZUBDVJUQHO-UHFFFAOYSA-N 1 3 320.481 2.059 20 0 DEADHO CC(C)c1cnc(CNCCCN2CCC[N@H+](C)CC2)s1 ZINC000183734114 539665117 /nfs/dbraw/zinc/66/51/17/539665117.db2.gz WIUWHIQTYXUKNW-UHFFFAOYSA-N 1 3 310.511 2.384 20 0 DEADHO CC(C)c1cnc(CNCCCN2CCC[N@@H+](C)CC2)s1 ZINC000183734114 539665119 /nfs/dbraw/zinc/66/51/19/539665119.db2.gz WIUWHIQTYXUKNW-UHFFFAOYSA-N 1 3 310.511 2.384 20 0 DEADHO CC(C)C[C@@H](N)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000236689972 539738458 /nfs/dbraw/zinc/73/84/58/539738458.db2.gz WSHVHCTZWNROQX-ZWKOTPCHSA-N 1 3 317.477 2.340 20 0 DEADHO CC(C)C[C@@H](N)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000236689972 539738463 /nfs/dbraw/zinc/73/84/63/539738463.db2.gz WSHVHCTZWNROQX-ZWKOTPCHSA-N 1 3 317.477 2.340 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CNC1CC1 ZINC000237343058 539745592 /nfs/dbraw/zinc/74/55/92/539745592.db2.gz ZSTCEHWADHYEEU-OAHLLOKOSA-N 1 3 315.461 2.429 20 0 DEADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CNC1CC1 ZINC000237343058 539745593 /nfs/dbraw/zinc/74/55/93/539745593.db2.gz ZSTCEHWADHYEEU-OAHLLOKOSA-N 1 3 315.461 2.429 20 0 DEADHO CC(C)C(=O)NCCN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000155785414 186112564 /nfs/dbraw/zinc/11/25/64/186112564.db2.gz QLYFKMJMDYZNGF-OAHLLOKOSA-N 1 3 321.465 2.050 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)C(C)C ZINC000072518455 191186075 /nfs/dbraw/zinc/18/60/75/191186075.db2.gz XXSMNRFIYULHST-SJORKVTESA-N 1 3 324.513 2.373 20 0 DEADHO [NH3+]CCCCC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000309754171 539878982 /nfs/dbraw/zinc/87/89/82/539878982.db2.gz WRQDTBZWNMIROF-KRWDZBQOSA-N 1 3 303.450 2.144 20 0 DEADHO CCN(CC)CCC[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000314261145 539881482 /nfs/dbraw/zinc/88/14/82/539881482.db2.gz YVHHBSSRMUZQRL-AWEZNQCLSA-N 1 3 302.426 2.045 20 0 DEADHO CN1CCCC[C@@H]1CC[N@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000173957246 198273297 /nfs/dbraw/zinc/27/32/97/198273297.db2.gz STWYRDCPDZUZQK-RTBURBONSA-N 1 3 320.477 2.370 20 0 DEADHO CN1CCCC[C@@H]1CC[N@@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000173957246 198273298 /nfs/dbraw/zinc/27/32/98/198273298.db2.gz STWYRDCPDZUZQK-RTBURBONSA-N 1 3 320.477 2.370 20 0 DEADHO C[C@H](C(=O)N1CCC(C)CC1)N1CCC(CC[NH+](C)C)CC1 ZINC000056523655 354535824 /nfs/dbraw/zinc/53/58/24/354535824.db2.gz PHPAOYOSGOUCAI-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CN1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000057139578 354558300 /nfs/dbraw/zinc/55/83/00/354558300.db2.gz GXAZUBNPSQNUJN-QGZVFWFLSA-N 1 3 315.461 2.109 20 0 DEADHO CN1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000057139578 354558302 /nfs/dbraw/zinc/55/83/02/354558302.db2.gz GXAZUBNPSQNUJN-QGZVFWFLSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2CCN(C)CC2)C1 ZINC000073670402 354974752 /nfs/dbraw/zinc/97/47/52/354974752.db2.gz JEYWGLMHUQPINT-IRXDYDNUSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C2CCN(C)CC2)C1 ZINC000073670402 354974757 /nfs/dbraw/zinc/97/47/57/354974757.db2.gz JEYWGLMHUQPINT-IRXDYDNUSA-N 1 3 321.509 2.441 20 0 DEADHO CC1CCC(N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC000073731601 354978301 /nfs/dbraw/zinc/97/83/01/354978301.db2.gz OEJNTHWGTUQDMH-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cccc(CN)c3)CC[C@@H]21 ZINC000387742376 540128920 /nfs/dbraw/zinc/12/89/20/540128920.db2.gz QIAQEKNHEJSTDT-HOCLYGCPSA-N 1 3 302.422 2.093 20 0 DEADHO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cccc(CN)c3)CC[C@@H]21 ZINC000387742376 540128922 /nfs/dbraw/zinc/12/89/22/540128922.db2.gz QIAQEKNHEJSTDT-HOCLYGCPSA-N 1 3 302.422 2.093 20 0 DEADHO C[C@@H](CNC(=O)c1cccc2c1CCNC2)C[NH+]1CCCCC1 ZINC000391533433 540136817 /nfs/dbraw/zinc/13/68/17/540136817.db2.gz UCVSBMIDSGWVQS-HNNXBMFYSA-N 1 3 315.461 2.184 20 0 DEADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433904298 540177816 /nfs/dbraw/zinc/17/78/16/540177816.db2.gz QQTAJKAWVGEWFQ-GDBMZVCRSA-N 1 3 310.486 2.033 20 0 DEADHO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433904299 540177836 /nfs/dbraw/zinc/17/78/36/540177836.db2.gz QQTAJKAWVGEWFQ-GOEBONIOSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)CCN1C ZINC000361778964 291075310 /nfs/dbraw/zinc/07/53/10/291075310.db2.gz AYRKEHUITLGOMB-HOCLYGCPSA-N 1 3 322.497 2.175 20 0 DEADHO CN(C)Cc1cccc(CNC(=O)C2CC[NH+](C3CC3)CC2)c1 ZINC000194051331 356233546 /nfs/dbraw/zinc/23/35/46/356233546.db2.gz RFFUJCIIXGJWBF-UHFFFAOYSA-N 1 3 315.461 2.239 20 0 DEADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(C)(C)N ZINC000236902964 202061587 /nfs/dbraw/zinc/06/15/87/202061587.db2.gz IKWNRFQDTNVRIZ-INIZCTEOSA-N 1 3 303.450 2.094 20 0 DEADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(C)(C)N ZINC000236902964 202061589 /nfs/dbraw/zinc/06/15/89/202061589.db2.gz IKWNRFQDTNVRIZ-INIZCTEOSA-N 1 3 303.450 2.094 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)[C@H]2CCCC[NH2+]2)N(C)C)cc1 ZINC000236959975 202096187 /nfs/dbraw/zinc/09/61/87/202096187.db2.gz ABUVEPRZTHZYBF-IAGOWNOFSA-N 1 3 303.450 2.110 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000423766596 283197158 /nfs/dbraw/zinc/19/71/58/283197158.db2.gz BLVXHROVJOTWEJ-HNNXBMFYSA-N 1 3 321.490 2.028 20 0 DEADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000578052801 356753313 /nfs/dbraw/zinc/75/33/13/356753313.db2.gz FIBVTQKEZZLJTH-HZPDHXFCSA-N 1 3 322.497 2.081 20 0 DEADHO CN[C@@H](C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000578081729 356759915 /nfs/dbraw/zinc/75/99/15/356759915.db2.gz BHJDHJPCVCCPJY-GJZGRUSLSA-N 1 3 303.450 2.285 20 0 DEADHO CN[C@@H](C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000578081729 356759920 /nfs/dbraw/zinc/75/99/20/356759920.db2.gz BHJDHJPCVCCPJY-GJZGRUSLSA-N 1 3 303.450 2.285 20 0 DEADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000578872385 356884983 /nfs/dbraw/zinc/88/49/83/356884983.db2.gz OELWPOZHVKWOSH-HZPDHXFCSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)CC[N@H+]1CCCC[C@H]1C ZINC000578872385 356884984 /nfs/dbraw/zinc/88/49/84/356884984.db2.gz OELWPOZHVKWOSH-HZPDHXFCSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000579471317 356979468 /nfs/dbraw/zinc/97/94/68/356979468.db2.gz SUPQAFQFHAULEO-ZIAGYGMSSA-N 1 3 324.444 2.025 20 0 DEADHO CN1CC[C@@H]2CCN(C(=O)CC[C@@H]([NH3+])c3ccccc3)[C@H]2C1 ZINC000579829528 357038223 /nfs/dbraw/zinc/03/82/23/357038223.db2.gz OQOCEOUXQQBXGQ-ZACQAIPSSA-N 1 3 301.434 2.019 20 0 DEADHO CC[NH+]1CCC(CN[C@H](c2nccn2C)C2CCOCC2)CC1 ZINC000579676312 357011258 /nfs/dbraw/zinc/01/12/58/357011258.db2.gz MLAVGWHKIUPGBS-KRWDZBQOSA-N 1 3 320.481 2.209 20 0 DEADHO CN(C[C@@H](O)CNc1ccc(CC[NH+]2CCCC2)cc1)C1CC1 ZINC000579703954 357017225 /nfs/dbraw/zinc/01/72/25/357017225.db2.gz NVMWFDHIIZHWKD-IBGZPJMESA-N 1 3 317.477 2.192 20 0 DEADHO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(CC[NH3+])CC1 ZINC000580955616 357108187 /nfs/dbraw/zinc/10/81/87/357108187.db2.gz JVTAHZBUGPZNII-AWEZNQCLSA-N 1 3 321.440 2.233 20 0 DEADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H](C)[C@H](C)O)CC2)c1 ZINC000581662038 357225616 /nfs/dbraw/zinc/22/56/16/357225616.db2.gz QTDHOWHPMLOTDY-ROUUACIJSA-N 1 3 319.493 2.256 20 0 DEADHO CC[NH2+]CCCNC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000581419036 357183981 /nfs/dbraw/zinc/18/39/81/357183981.db2.gz XWPBDSDCIVZBBT-QGZVFWFLSA-N 1 3 314.433 2.138 20 0 DEADHO O=C(Nc1ccc2c(c1F)CCNC2)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000261689376 295945254 /nfs/dbraw/zinc/94/52/54/295945254.db2.gz IEZQTUZFEWMHOU-XFJVYGCCSA-N 1 3 317.408 2.331 20 0 DEADHO C[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)N1CCCC[C@H]1C ZINC000589208851 357455179 /nfs/dbraw/zinc/45/51/79/357455179.db2.gz HSPXRWOGZDHLTL-IXDOHACOSA-N 1 3 322.497 2.129 20 0 DEADHO C[NH+](C)C1(CNC(=O)N2CC[C@H](N3CCCC3)C2)CCCCC1 ZINC000589203934 357455725 /nfs/dbraw/zinc/45/57/25/357455725.db2.gz IYTCDGFGOQWOEB-INIZCTEOSA-N 1 3 322.497 2.131 20 0 DEADHO COC(=O)c1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC000592433735 357876211 /nfs/dbraw/zinc/87/62/11/357876211.db2.gz RCTBDAFFUZBCFL-UONOGXRCSA-N 1 3 306.406 2.278 20 0 DEADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000661405490 540320057 /nfs/dbraw/zinc/32/00/57/540320057.db2.gz DXPFYJYIKHGUGF-HZPDHXFCSA-N 1 3 324.513 2.279 20 0 DEADHO Cc1ccc([C@H](CNC(=O)C2([NH3+])CC3(CCC3)C2)N(C)C)cc1 ZINC000662689818 540333916 /nfs/dbraw/zinc/33/39/16/540333916.db2.gz IWIDCAUTLIBKSO-INIZCTEOSA-N 1 3 315.461 2.376 20 0 DEADHO CCCN(CCN(C)C)C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662823692 540334815 /nfs/dbraw/zinc/33/48/15/540334815.db2.gz SPPZJFQEYYFCML-KRWDZBQOSA-N 1 3 317.477 2.479 20 0 DEADHO N[C@@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC[C@H]1F ZINC000663507374 540339221 /nfs/dbraw/zinc/33/92/21/540339221.db2.gz VMCAWCBXKDIUFL-QZTJIDSGSA-N 1 3 321.440 2.032 20 0 DEADHO C[C@@H](CNC(=O)N[C@@H](C[NH3+])C1CCCCC1)N1CCC(C)CC1 ZINC000417304824 295959652 /nfs/dbraw/zinc/95/96/52/295959652.db2.gz FRIPABSRITVCFH-RDJZCZTQSA-N 1 3 324.513 2.314 20 0 DEADHO CCC[N@H+](C)CC(C)(C)NC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000665270001 540349761 /nfs/dbraw/zinc/34/97/61/540349761.db2.gz QHWWCWWOSPIGBO-HOTGVXAUSA-N 1 3 324.513 2.423 20 0 DEADHO CCC[N@@H+](C)CC(C)(C)NC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000665270001 540349763 /nfs/dbraw/zinc/34/97/63/540349763.db2.gz QHWWCWWOSPIGBO-HOTGVXAUSA-N 1 3 324.513 2.423 20 0 DEADHO Cc1nn(-c2ccncc2)cc1CN[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666997025 540377438 /nfs/dbraw/zinc/37/74/38/540377438.db2.gz SELZUFOAEDIAKW-INIZCTEOSA-N 1 3 311.433 2.340 20 0 DEADHO NCc1cn([C@@H]2CCC[N@H+](Cc3ccc4cnccc4c3)C2)nn1 ZINC000667040112 540384189 /nfs/dbraw/zinc/38/41/89/540384189.db2.gz PBJFJXWQAGHNDY-GOSISDBHSA-N 1 3 322.416 2.122 20 0 DEADHO NCc1cn([C@@H]2CCC[N@@H+](Cc3ccc4cnccc4c3)C2)nn1 ZINC000667040112 540384191 /nfs/dbraw/zinc/38/41/91/540384191.db2.gz PBJFJXWQAGHNDY-GOSISDBHSA-N 1 3 322.416 2.122 20 0 DEADHO CCNC(=O)c1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)cc1 ZINC000247014782 535422644 /nfs/dbraw/zinc/42/26/44/535422644.db2.gz LLBGFHPWAJOQEG-JKIFEVAISA-N 1 3 303.450 2.255 20 0 DEADHO c1cc(N2CCN(CCC[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)CC2)ccn1 ZINC000667822238 540535171 /nfs/dbraw/zinc/53/51/71/540535171.db2.gz ACHDKHDFRMHQSE-NZSAHSFTSA-N 1 3 314.477 2.372 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000186873526 200024780 /nfs/dbraw/zinc/02/47/80/200024780.db2.gz GYZFEPCWWITBGQ-PBHICJAKSA-N 1 3 301.434 2.010 20 0 DEADHO COC(=O)Cc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000600186842 359681577 /nfs/dbraw/zinc/68/15/77/359681577.db2.gz IYYIHROKBAGFDZ-UHFFFAOYSA-N 1 3 316.445 2.366 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000187466963 200116238 /nfs/dbraw/zinc/11/62/38/200116238.db2.gz SJMAFCUIIDIYRO-SFHVURJKSA-N 1 3 317.477 2.353 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000187466963 200116239 /nfs/dbraw/zinc/11/62/39/200116239.db2.gz SJMAFCUIIDIYRO-SFHVURJKSA-N 1 3 317.477 2.353 20 0 DEADHO C[C@@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1cccc(OCCN(C)C)c1 ZINC000187679812 200144562 /nfs/dbraw/zinc/14/45/62/200144562.db2.gz QEXYRMGJEQNDCB-XYPHTWIQSA-N 1 3 306.450 2.437 20 0 DEADHO C[C@H]1CN(C(=O)c2ccc(Nc3ccncc3)cc2)C[C@H](C)[NH2+]1 ZINC000429367277 237393005 /nfs/dbraw/zinc/39/30/05/237393005.db2.gz NGHGJFCLWZJEPN-KBPBESRZSA-N 1 3 310.401 2.070 20 0 DEADHO N[C@@H](CC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000237878641 202377963 /nfs/dbraw/zinc/37/79/63/202377963.db2.gz ZOQFIJXQSMHSGO-WBVHZDCISA-N 1 3 301.434 2.021 20 0 DEADHO CCN(C)C(=O)[C@H](C)N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000189412936 200396522 /nfs/dbraw/zinc/39/65/22/200396522.db2.gz LXBZEKWDQFPPCL-GJZGRUSLSA-N 1 3 321.465 2.144 20 0 DEADHO C[NH2+]C[C@@H](C)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000166328332 283535885 /nfs/dbraw/zinc/53/58/85/283535885.db2.gz APDPLYSJVNDBDG-WBVHZDCISA-N 1 3 303.450 2.104 20 0 DEADHO C[C@H]1C[C@H](C[NH3+])CN1CCCc1nc(-c2ccccc2)no1 ZINC000442770582 238072713 /nfs/dbraw/zinc/07/27/13/238072713.db2.gz YEKWTMBQIZBDAG-UONOGXRCSA-N 1 3 300.406 2.338 20 0 DEADHO C[C@H](C(=O)N1CCc2ccccc21)N1CCC[C@@H](CC[NH3+])C1 ZINC000443056169 238099925 /nfs/dbraw/zinc/09/99/25/238099925.db2.gz CDEWFTDNOOXAPA-CABCVRRESA-N 1 3 301.434 2.025 20 0 DEADHO C[C@@H]1C[C@@H](NCc2ccncc2OCCC[NH+](C)C)[C@@H](C)O1 ZINC000449328933 240364954 /nfs/dbraw/zinc/36/49/54/240364954.db2.gz LTOWAWHESHYSIA-IIAWOOMASA-N 1 3 307.438 2.068 20 0 DEADHO C[C@@H](C[NH3+])N(C)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669484005 540842108 /nfs/dbraw/zinc/84/21/08/540842108.db2.gz YBIVRXNDUUUJNR-RDJZCZTQSA-N 1 3 318.465 2.202 20 0 DEADHO CCCN(C(=O)N[C@H](CC)CN1CCCC1)C1CC[NH2+]CC1 ZINC000669530259 540854256 /nfs/dbraw/zinc/85/42/56/540854256.db2.gz XYLOBFHVPUNGDK-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)CC1CC[NH+](C)CC1 ZINC000292710900 223212331 /nfs/dbraw/zinc/21/23/31/223212331.db2.gz CQOGMQFUBHEPCT-UHFFFAOYSA-N 1 3 303.450 2.461 20 0 DEADHO CN1CCC(CC(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000292710900 223212333 /nfs/dbraw/zinc/21/23/33/223212333.db2.gz CQOGMQFUBHEPCT-UHFFFAOYSA-N 1 3 303.450 2.461 20 0 DEADHO Cn1cc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)c(-c2cccnc2)n1 ZINC000292715456 223214752 /nfs/dbraw/zinc/21/47/52/223214752.db2.gz DPRXJISWJIWKAE-SFHVURJKSA-N 1 3 311.433 2.010 20 0 DEADHO Cn1cc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)c(-c2cccnc2)n1 ZINC000292715456 223214753 /nfs/dbraw/zinc/21/47/53/223214753.db2.gz DPRXJISWJIWKAE-SFHVURJKSA-N 1 3 311.433 2.010 20 0 DEADHO CCC[C@H](C)NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000608616574 361240881 /nfs/dbraw/zinc/24/08/81/361240881.db2.gz YEJWWULFNVMYEH-JKSUJKDBSA-N 1 3 312.502 2.233 20 0 DEADHO CCC[C@H](C)NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000608616574 361240886 /nfs/dbraw/zinc/24/08/86/361240886.db2.gz YEJWWULFNVMYEH-JKSUJKDBSA-N 1 3 312.502 2.233 20 0 DEADHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)c1ccc2c(c1)CC(=O)N2C ZINC000271877503 209289320 /nfs/dbraw/zinc/28/93/20/209289320.db2.gz YBVPZZCKEFHKTJ-CZUORRHYSA-N 1 3 301.434 2.340 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1oc2ccccc2c1CN(C)C ZINC000193567853 201077425 /nfs/dbraw/zinc/07/74/25/201077425.db2.gz SZJJKBMBLTXBBP-WFASDCNBSA-N 1 3 315.417 2.365 20 0 DEADHO CC[NH+](CC)CCSCC(=O)N1CCCC[C@H]1CN(C)C ZINC000610258872 361376482 /nfs/dbraw/zinc/37/64/82/361376482.db2.gz FHMLMUVXFXQUFQ-HNNXBMFYSA-N 1 3 315.527 2.004 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cnc(C2CC2)o1 ZINC000628278483 366790690 /nfs/dbraw/zinc/79/06/90/366790690.db2.gz RYPWVKYXKKKPEY-MRXNPFEDSA-N 1 3 320.481 2.400 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cnc(C2CC2)o1 ZINC000628278483 366790693 /nfs/dbraw/zinc/79/06/93/366790693.db2.gz RYPWVKYXKKKPEY-MRXNPFEDSA-N 1 3 320.481 2.400 20 0 DEADHO CN1CCN(Cc2ccc(C[NH2+]C[C@@H]3CCC=CO3)cc2)CC1 ZINC000194211792 201198693 /nfs/dbraw/zinc/19/86/93/201198693.db2.gz NABACNWNGJDDCO-IBGZPJMESA-N 1 3 315.461 2.216 20 0 DEADHO C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000674878634 541268655 /nfs/dbraw/zinc/26/86/55/541268655.db2.gz MNUCCMVOMUUWSP-NZSAHSFTSA-N 1 3 301.478 2.438 20 0 DEADHO C[C@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)[C@@H]1CC12CC2 ZINC000527857093 283727055 /nfs/dbraw/zinc/72/70/55/283727055.db2.gz BRDMSWJGXAHFLS-YOEHRIQHSA-N 1 3 315.461 2.256 20 0 DEADHO CC[C@@H](CN1CCCC1)NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000675194772 541300447 /nfs/dbraw/zinc/30/04/47/541300447.db2.gz QSGRRODLXIVEIM-DLBZAZTESA-N 1 3 322.497 2.131 20 0 DEADHO C[C@@H](C(=O)NCC1CC[NH+](CC2CC2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000620930892 364205365 /nfs/dbraw/zinc/20/53/65/364205365.db2.gz ZNSGDKFVTIKKOO-XHSDSOJGSA-N 1 3 321.509 2.486 20 0 DEADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCN(C(C)=O)c3ccccc32)C1 ZINC000621749825 364535382 /nfs/dbraw/zinc/53/53/82/364535382.db2.gz DDOMVLDHZXEDKV-DOTOQJQBSA-N 1 3 301.434 2.416 20 0 DEADHO C[C@@H](CNC(=O)N1CCCN(C(C)(C)C)CC1)C[NH+]1CCCC1 ZINC000622097526 364662721 /nfs/dbraw/zinc/66/27/21/364662721.db2.gz RVUKGAIQFZVNNL-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000623063599 364872253 /nfs/dbraw/zinc/87/22/53/364872253.db2.gz HSWNYMZKWIXUPP-RHSMWYFYSA-N 1 3 302.422 2.093 20 0 DEADHO CN(C)CCN(C)CCC[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000623088089 364881653 /nfs/dbraw/zinc/88/16/53/364881653.db2.gz WALMNGASBIMKGZ-GQCTYLIASA-N 1 3 311.420 2.451 20 0 DEADHO CCC[NH2+][C@@H](C)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000449096768 240046337 /nfs/dbraw/zinc/04/63/37/240046337.db2.gz AHICIGHQJHKOQJ-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO O=C(Nc1ccc2c(c1)CNCC2)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449117339 240074662 /nfs/dbraw/zinc/07/46/62/240074662.db2.gz UASJPIFJRPXZFM-FQEVSTJZSA-N 1 3 321.424 2.202 20 0 DEADHO COc1cc(F)cc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000449196367 240178314 /nfs/dbraw/zinc/17/83/14/240178314.db2.gz YEHMKEPJOYCRTH-MSOLQXFVSA-N 1 3 322.424 2.302 20 0 DEADHO C[N@@H+]1CCCC[C@@H](CNC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000628750128 366952394 /nfs/dbraw/zinc/95/23/94/366952394.db2.gz NVXMOHJGMLYPHB-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO C[N@H+]1CCCC[C@@H](CNC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000628750128 366952395 /nfs/dbraw/zinc/95/23/95/366952395.db2.gz NVXMOHJGMLYPHB-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO c1c(CN[C@@H]2CCCCC23CCCC3)nnn1[C@@H]1CC[NH2+]C1 ZINC000629549245 367244789 /nfs/dbraw/zinc/24/47/89/367244789.db2.gz JHMPOVBGJITYSI-HZPDHXFCSA-N 1 3 303.454 2.405 20 0 DEADHO CCOc1ccc(C[C@H](C)CNC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000629580342 367260149 /nfs/dbraw/zinc/26/01/49/367260149.db2.gz RAPVPXJOLBEPLX-FUHWJXTLSA-N 1 3 320.477 2.310 20 0 DEADHO CC1(C)[C@@H](CNC[C@@H](O)C[NH+]2CCCC2)[C@@H]1c1ccccc1 ZINC000629580032 367260303 /nfs/dbraw/zinc/26/03/03/367260303.db2.gz KUCLPKNGUBDASI-SQNIBIBYSA-N 1 3 302.462 2.473 20 0 DEADHO C[C@@H](C[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1)C1CCCCC1 ZINC000629661071 367290221 /nfs/dbraw/zinc/29/02/21/367290221.db2.gz APDKPTIRPKUEDI-JKSUJKDBSA-N 1 3 309.498 2.332 20 0 DEADHO C[C@@H](C[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1)C1CCCCC1 ZINC000629661071 367290228 /nfs/dbraw/zinc/29/02/28/367290228.db2.gz APDKPTIRPKUEDI-JKSUJKDBSA-N 1 3 309.498 2.332 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000630581706 367738298 /nfs/dbraw/zinc/73/82/98/367738298.db2.gz PGLOQNSQDCXISM-CTYIDZIISA-N 1 3 304.438 2.387 20 0 DEADHO CC(C)(C)c1cccc(C[N@@H+]2CC[C@@H](n3cc(CN)nn3)C2)c1 ZINC000631844294 368420831 /nfs/dbraw/zinc/42/08/31/368420831.db2.gz GYMCYSYOPBONKS-QGZVFWFLSA-N 1 3 313.449 2.481 20 0 DEADHO CC(C)(C)c1cccc(C[N@H+]2CC[C@@H](n3cc(CN)nn3)C2)c1 ZINC000631844294 368420837 /nfs/dbraw/zinc/42/08/37/368420837.db2.gz GYMCYSYOPBONKS-QGZVFWFLSA-N 1 3 313.449 2.481 20 0 DEADHO CC(C)(C)c1ccc(C[N@@H+]2CC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000631847558 368422698 /nfs/dbraw/zinc/42/26/98/368422698.db2.gz XDXLWOIOECYSMN-KRWDZBQOSA-N 1 3 313.449 2.481 20 0 DEADHO CC(C)(C)c1ccc(C[N@H+]2CC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000631847558 368422706 /nfs/dbraw/zinc/42/27/06/368422706.db2.gz XDXLWOIOECYSMN-KRWDZBQOSA-N 1 3 313.449 2.481 20 0 DEADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000261643497 203085912 /nfs/dbraw/zinc/08/59/12/203085912.db2.gz CUKHFDXEYZOBTM-RCCFBDPRSA-N 1 3 315.461 2.285 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C[C@H](N)c1ccccc1 ZINC000261746759 203108901 /nfs/dbraw/zinc/10/89/01/203108901.db2.gz STHYIQLNAAYWMK-RDJZCZTQSA-N 1 3 303.450 2.457 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)C[C@H](N)c1ccccc1 ZINC000261746759 203108905 /nfs/dbraw/zinc/10/89/05/203108905.db2.gz STHYIQLNAAYWMK-RDJZCZTQSA-N 1 3 303.450 2.457 20 0 DEADHO COc1cc(CN(C)CC2CC[NH+](C)CC2)cc2c1OCO2 ZINC000093088589 193201859 /nfs/dbraw/zinc/20/18/59/193201859.db2.gz QLAHRODULQVSNX-UHFFFAOYSA-N 1 3 306.406 2.198 20 0 DEADHO COc1cc(C[N@H+](C)CC2CCN(C)CC2)cc2c1OCO2 ZINC000093088589 193201861 /nfs/dbraw/zinc/20/18/61/193201861.db2.gz QLAHRODULQVSNX-UHFFFAOYSA-N 1 3 306.406 2.198 20 0 DEADHO COc1cc(C[N@@H+](C)CC2CCN(C)CC2)cc2c1OCO2 ZINC000093088589 193201863 /nfs/dbraw/zinc/20/18/63/193201863.db2.gz QLAHRODULQVSNX-UHFFFAOYSA-N 1 3 306.406 2.198 20 0 DEADHO C[C@@H](C(=O)NCC1([NH+](C)C)CCCC1)[C@@H](N)c1ccccc1 ZINC000262344690 203269481 /nfs/dbraw/zinc/26/94/81/203269481.db2.gz URHCVMNVDZZOKO-GDBMZVCRSA-N 1 3 303.450 2.313 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N(CCN(C)C)Cc2cccs2)CC[NH2+]1 ZINC000262404496 203284557 /nfs/dbraw/zinc/28/45/57/203284557.db2.gz ROUVWWUKXHTVTH-KBPBESRZSA-N 1 3 309.479 2.026 20 0 DEADHO CCC[C@](C)(N)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000262676396 203377714 /nfs/dbraw/zinc/37/77/14/203377714.db2.gz SBGSNOOPSNYSMR-SFHVURJKSA-N 1 3 303.450 2.416 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H](C)[C@@H](N)c2ccccc2)C1 ZINC000262683527 203380363 /nfs/dbraw/zinc/38/03/63/203380363.db2.gz ZCBGHPAOAPUQGP-JFIYKMOQSA-N 1 3 317.477 2.417 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H](C)[C@@H](N)c2ccccc2)C1 ZINC000262683527 203380367 /nfs/dbraw/zinc/38/03/67/203380367.db2.gz ZCBGHPAOAPUQGP-JFIYKMOQSA-N 1 3 317.477 2.417 20 0 DEADHO C[C@@H]1C[C@H](Nc2cccc(CN3CCN(C)CC3)c2)CC[N@@H+]1C ZINC000679010899 541795464 /nfs/dbraw/zinc/79/54/64/541795464.db2.gz JUYTYGWQYOWILC-VQIMIIECSA-N 1 3 316.493 2.329 20 0 DEADHO C[C@@H]1C[C@H](Nc2cccc(CN3CCN(C)CC3)c2)CC[N@H+]1C ZINC000679010899 541795469 /nfs/dbraw/zinc/79/54/69/541795469.db2.gz JUYTYGWQYOWILC-VQIMIIECSA-N 1 3 316.493 2.329 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(F)cn1 ZINC000529568874 284212381 /nfs/dbraw/zinc/21/23/81/284212381.db2.gz YXPZNKSDVQCUNQ-QGZVFWFLSA-N 1 3 308.445 2.069 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(F)cn1 ZINC000529568874 284212382 /nfs/dbraw/zinc/21/23/82/284212382.db2.gz YXPZNKSDVQCUNQ-QGZVFWFLSA-N 1 3 308.445 2.069 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001422219942 1172405361 /nfs/dbraw/zinc/40/53/61/1172405361.db2.gz ZXTJPLXXCAHSAE-QLFBSQMISA-N 1 3 301.450 2.045 20 0 DEADHO Oc1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000679394300 541850018 /nfs/dbraw/zinc/85/00/18/541850018.db2.gz LEZMRJJPKJJISR-ROUUACIJSA-N 1 3 304.434 2.250 20 0 DEADHO C[C@H]1C[C@H](NC(=O)NCCCCC[NH+]2CCCC2)CN1C1CC1 ZINC000454645430 246025428 /nfs/dbraw/zinc/02/54/28/246025428.db2.gz BHFNUPDANXQHGL-HOTGVXAUSA-N 1 3 322.497 2.177 20 0 DEADHO CCOC[C@H](O)CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000267493351 206105682 /nfs/dbraw/zinc/10/56/82/206105682.db2.gz OZBXTASBCNKGRV-NZSAHSFTSA-N 1 3 320.477 2.369 20 0 DEADHO CCOC[C@H](O)CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000267493351 206105685 /nfs/dbraw/zinc/10/56/85/206105685.db2.gz OZBXTASBCNKGRV-NZSAHSFTSA-N 1 3 320.477 2.369 20 0 DEADHO C[C@@H](CCNC(=O)N[C@@H]1CCN(CC2CC2)C1)[NH+]1CCCCC1 ZINC000680281333 541977364 /nfs/dbraw/zinc/97/73/64/541977364.db2.gz HAJRERSRQJBLGV-DOTOQJQBSA-N 1 3 322.497 2.034 20 0 DEADHO CC(C)N1CC[C@H](N(C)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000457900208 248065686 /nfs/dbraw/zinc/06/56/86/248065686.db2.gz CBNWSXNCVSKGCG-SJORKVTESA-N 1 3 324.513 2.233 20 0 DEADHO C[NH+](C)CC1CCN(C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000492508422 249078107 /nfs/dbraw/zinc/07/81/07/249078107.db2.gz KNPHOGADTDAUCE-QGZVFWFLSA-N 1 3 317.433 2.285 20 0 DEADHO C[C@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC[C@H]1O ZINC000681752802 542201672 /nfs/dbraw/zinc/20/16/72/542201672.db2.gz HBWHAGIHQISTDA-QFBILLFUSA-N 1 3 318.461 2.364 20 0 DEADHO Cc1ccccc1OC[C@H](O)CN1CCC(CC[NH+](C)C)CC1 ZINC000056523092 184015041 /nfs/dbraw/zinc/01/50/41/184015041.db2.gz VWFCDAXFJFUQLE-GOSISDBHSA-N 1 3 320.477 2.398 20 0 DEADHO CN(C(=O)C1CCN(Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000269129825 207263067 /nfs/dbraw/zinc/26/30/67/207263067.db2.gz JJPLZDJOKOQEFO-UHFFFAOYSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCN(C)CC[C@H]2C)C1 ZINC000355479227 207391731 /nfs/dbraw/zinc/39/17/31/207391731.db2.gz YTVPGSJVBHSBHX-DLBZAZTESA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCN(C)CC[C@H]2C)C1 ZINC000355479227 207391737 /nfs/dbraw/zinc/39/17/37/207391737.db2.gz YTVPGSJVBHSBHX-DLBZAZTESA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCc1cn2c(n1)SCC2 ZINC000423074304 532994866 /nfs/dbraw/zinc/99/48/66/532994866.db2.gz UKRLJMFPOILZSO-CJNGLKHVSA-N 1 3 316.474 2.079 20 0 DEADHO CSc1ccc([C@H](CNC(=O)NCCCC[NH3+])N(C)C)cc1 ZINC000418234700 533005010 /nfs/dbraw/zinc/00/50/10/533005010.db2.gz QORJNCAADVKGII-HNNXBMFYSA-N 1 3 324.494 2.049 20 0 DEADHO CC[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(F)cn1 ZINC000538709400 285051453 /nfs/dbraw/zinc/05/14/53/285051453.db2.gz GJPDEGVAKJEPNM-INIZCTEOSA-N 1 3 308.445 2.289 20 0 DEADHO CC[N@@H+](Cc1ccccc1N(C)C1CCN(C)CC1)C[C@H](C)O ZINC000348714012 285118566 /nfs/dbraw/zinc/11/85/66/285118566.db2.gz MFDKQUNGUBLGAV-INIZCTEOSA-N 1 3 319.493 2.420 20 0 DEADHO CC[N@H+](Cc1ccccc1N(C)C1CCN(C)CC1)C[C@H](C)O ZINC000348714012 285118567 /nfs/dbraw/zinc/11/85/67/285118567.db2.gz MFDKQUNGUBLGAV-INIZCTEOSA-N 1 3 319.493 2.420 20 0 DEADHO CCN1CCC(NC(=O)NCCCC[NH+]2CCC(C)CC2)CC1 ZINC000337402216 285190414 /nfs/dbraw/zinc/19/04/14/285190414.db2.gz LCKOHGNPCWMOAA-UHFFFAOYSA-N 1 3 324.513 2.282 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000120363489 285198033 /nfs/dbraw/zinc/19/80/33/285198033.db2.gz DIEFTQOYMDZTLN-DLBZAZTESA-N 1 3 324.513 2.138 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000120363489 285198034 /nfs/dbraw/zinc/19/80/34/285198034.db2.gz DIEFTQOYMDZTLN-DLBZAZTESA-N 1 3 324.513 2.138 20 0 DEADHO CCN(CC)[C@H](CNC(=O)NCC[N@H+](C)CC)c1ccccc1 ZINC000120742421 195228603 /nfs/dbraw/zinc/22/86/03/195228603.db2.gz UPKFDSWGELZKBK-QGZVFWFLSA-N 1 3 320.481 2.320 20 0 DEADHO CCN(CC)[C@H](CNC(=O)NCC[N@@H+](C)CC)c1ccccc1 ZINC000120742421 195228604 /nfs/dbraw/zinc/22/86/04/195228604.db2.gz UPKFDSWGELZKBK-QGZVFWFLSA-N 1 3 320.481 2.320 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CC12CCCC2 ZINC000354213112 285279487 /nfs/dbraw/zinc/27/94/87/285279487.db2.gz VHCJQEIWBKFYTE-IRXDYDNUSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CC12CCCC2 ZINC000354213112 285279490 /nfs/dbraw/zinc/27/94/90/285279490.db2.gz VHCJQEIWBKFYTE-IRXDYDNUSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C)CCN(C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)C1CCCC1 ZINC000151907516 196744900 /nfs/dbraw/zinc/74/49/00/196744900.db2.gz OTXZTTPWAZCIRS-RDJZCZTQSA-N 1 3 324.513 2.375 20 0 DEADHO COC[C@H](NCC1(O)CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000289769662 221213947 /nfs/dbraw/zinc/21/39/47/221213947.db2.gz NJKLMZDQUOAKIC-HNNXBMFYSA-N 1 3 312.841 2.074 20 0 DEADHO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000683814142 542498693 /nfs/dbraw/zinc/49/86/93/542498693.db2.gz AIHRONPTWHDWIH-MJGOQNOKSA-N 1 3 319.493 2.380 20 0 DEADHO C[C@H](C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)[C@@H](N)c1ccccc1 ZINC000294974580 224351649 /nfs/dbraw/zinc/35/16/49/224351649.db2.gz JIMFNXRXOKQTLZ-BMGDILEWSA-N 1 3 315.461 2.171 20 0 DEADHO C[C@@]1(O)CCC[N@@H+](C/C=C\CN2CCC[C@](C)(O)CC2)CC1 ZINC000684213059 542573412 /nfs/dbraw/zinc/57/34/12/542573412.db2.gz SPAOIQNYLICMRX-FEFURNDJSA-N 1 3 310.482 2.016 20 0 DEADHO C[C@@]1(O)CCC[N@H+](C/C=C\CN2CCC[C@](C)(O)CC2)CC1 ZINC000684213059 542573414 /nfs/dbraw/zinc/57/34/14/542573414.db2.gz SPAOIQNYLICMRX-FEFURNDJSA-N 1 3 310.482 2.016 20 0 DEADHO C[C@@]1(O)CCCN(C/C=C\C[N@@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000684213059 542573416 /nfs/dbraw/zinc/57/34/16/542573416.db2.gz SPAOIQNYLICMRX-FEFURNDJSA-N 1 3 310.482 2.016 20 0 DEADHO C[C@@]1(O)CCCN(C/C=C\C[N@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000684213059 542573418 /nfs/dbraw/zinc/57/34/18/542573418.db2.gz SPAOIQNYLICMRX-FEFURNDJSA-N 1 3 310.482 2.016 20 0 DEADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cnccc1N ZINC000422912012 533378474 /nfs/dbraw/zinc/37/84/74/533378474.db2.gz MBVOBSBEDODWRE-RBSFLKMASA-N 1 3 306.454 2.034 20 0 DEADHO c1c(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)nc2n1CCS2 ZINC000423075010 285417558 /nfs/dbraw/zinc/41/75/58/285417558.db2.gz WAYBMEZDGHCQJB-RBSFLKMASA-N 1 3 306.479 2.042 20 0 DEADHO COc1ccc(CCN[C@@H]2CC[NH2+]CC[C@H]2C)c(OC)c1OC ZINC000422709404 533499681 /nfs/dbraw/zinc/49/96/81/533499681.db2.gz ZFMDJTASMCQZEY-UKRRQHHQSA-N 1 3 322.449 2.233 20 0 DEADHO COc1ccc(CC[NH2+][C@@H]2CCNCC[C@H]2C)c(OC)c1OC ZINC000422709404 533499687 /nfs/dbraw/zinc/49/96/87/533499687.db2.gz ZFMDJTASMCQZEY-UKRRQHHQSA-N 1 3 322.449 2.233 20 0 DEADHO C[C@@H](CCC[NH3+])NC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418501566 533551884 /nfs/dbraw/zinc/55/18/84/533551884.db2.gz RGURGQNWLAYLQN-SUMWQHHRSA-N 1 3 314.433 2.266 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NCC1([NH3+])CCCCC1 ZINC000562812190 292012318 /nfs/dbraw/zinc/01/23/18/292012318.db2.gz OAWLCJFHIPLLHN-AWEZNQCLSA-N 1 3 310.486 2.068 20 0 DEADHO C[C@H](NC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)C1=CCN(C)CC1 ZINC000357819358 133102621 /nfs/dbraw/zinc/10/26/21/133102621.db2.gz WDSLUWQMEDEOHE-HOTGVXAUSA-N 1 3 322.497 2.201 20 0 DEADHO C[C@H](NC(=O)NCCC[N@H+]1CCCC[C@@H]1C)C1=CCN(C)CC1 ZINC000357819358 133102622 /nfs/dbraw/zinc/10/26/22/133102622.db2.gz WDSLUWQMEDEOHE-HOTGVXAUSA-N 1 3 322.497 2.201 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccnc(OC)c2)[C@@H](C)C1 ZINC000358089720 133120234 /nfs/dbraw/zinc/12/02/34/133120234.db2.gz RUTMMSDIERZJMG-RDJZCZTQSA-N 1 3 321.465 2.317 20 0 DEADHO CC(C)N(C)CCC[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000359636625 133136350 /nfs/dbraw/zinc/13/63/50/133136350.db2.gz PFBJPJUMRXZBIX-UHFFFAOYSA-N 1 3 304.482 2.366 20 0 DEADHO Fc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000562956625 292019346 /nfs/dbraw/zinc/01/93/46/292019346.db2.gz IAICSEFVEKPEGR-KBRIMQKVSA-N 1 3 310.388 2.254 20 0 DEADHO C[C@@]1(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CCC[NH2+]C1 ZINC000362573256 133239694 /nfs/dbraw/zinc/23/96/94/133239694.db2.gz QKOYCPJYXITCSW-CQSZACIVSA-N 1 3 315.339 2.492 20 0 DEADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc(CN(C)C)c1 ZINC000376394148 133293082 /nfs/dbraw/zinc/29/30/82/133293082.db2.gz FTMJDBAUSBVYMB-CRAIPNDOSA-N 1 3 315.461 2.447 20 0 DEADHO [NH3+]C[C@H]1CCCCN1C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000377127767 133319546 /nfs/dbraw/zinc/31/95/46/133319546.db2.gz OXVYIAGKRRBQCN-GOSISDBHSA-N 1 3 315.461 2.238 20 0 DEADHO CC(C)N1CCCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000563206100 292039284 /nfs/dbraw/zinc/03/92/84/292039284.db2.gz JOSLEQYCYBUVPR-QGZVFWFLSA-N 1 3 303.450 2.409 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CCC(CC[NH3+])CC1 ZINC000563267040 292043006 /nfs/dbraw/zinc/04/30/06/292043006.db2.gz APIJILVDJIPGEI-KRWDZBQOSA-N 1 3 318.465 2.019 20 0 DEADHO CC1CC([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1 ZINC000564182715 292087868 /nfs/dbraw/zinc/08/78/68/292087868.db2.gz LABMLHNHGRFGAX-UHFFFAOYSA-N 1 3 315.461 2.272 20 0 DEADHO C[C@@H](C(=O)N(CC[NH3+])Cc1ccccc1)[C@H](N)c1ccccc1 ZINC000184207343 144941103 /nfs/dbraw/zinc/94/11/03/144941103.db2.gz WXOSLGQAIPFZQW-QAPCUYQASA-N 1 3 311.429 2.310 20 0 DEADHO CC(C)N1CCCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000565038746 292129236 /nfs/dbraw/zinc/12/92/36/292129236.db2.gz RWJAGQRRCLUFEZ-RYTJFDOTSA-N 1 3 307.482 2.083 20 0 DEADHO CC(C)[C@@H](CNC(=O)NCCN1CCC[C@H](C)C1)[NH+]1CCCC1 ZINC000246380253 145101041 /nfs/dbraw/zinc/10/10/41/145101041.db2.gz HNBDZXFUAOQLRH-DLBZAZTESA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)C[C@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000246718274 145112054 /nfs/dbraw/zinc/11/20/54/145112054.db2.gz XLMHSKQGPRKYHK-KBAYOESNSA-N 1 3 315.461 2.298 20 0 DEADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(c3ncccc3F)C2)[C@@H](C)C1 ZINC000247253299 145130608 /nfs/dbraw/zinc/13/06/08/145130608.db2.gz YLZQNLUQZPJIQS-DZKIICNBSA-N 1 3 306.429 2.119 20 0 DEADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(c3ncccc3F)C2)[C@@H](C)C1 ZINC000247253299 145130609 /nfs/dbraw/zinc/13/06/09/145130609.db2.gz YLZQNLUQZPJIQS-DZKIICNBSA-N 1 3 306.429 2.119 20 0 DEADHO C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)CN(C)C ZINC000247967081 145145147 /nfs/dbraw/zinc/14/51/47/145145147.db2.gz IFELYSDUPSDVRI-FUHWJXTLSA-N 1 3 318.509 2.469 20 0 DEADHO Cc1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)c1 ZINC000248057558 145147618 /nfs/dbraw/zinc/14/76/18/145147618.db2.gz XRRMFRXGHKSLEX-YQVWRLOYSA-N 1 3 318.461 2.151 20 0 DEADHO Cc1cccc(OC[C@H](O)C[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)c1 ZINC000248057558 145147620 /nfs/dbraw/zinc/14/76/20/145147620.db2.gz XRRMFRXGHKSLEX-YQVWRLOYSA-N 1 3 318.461 2.151 20 0 DEADHO C[NH2+]C[C@@](C)(O)CN1CCC[C@]2(CCCc3ccccc32)C1 ZINC000565094306 292133480 /nfs/dbraw/zinc/13/34/80/292133480.db2.gz ZURNKAHMEIECEX-RTBURBONSA-N 1 3 302.462 2.327 20 0 DEADHO CNC[C@@](C)(O)C[N@@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000565094306 292133482 /nfs/dbraw/zinc/13/34/82/292133482.db2.gz ZURNKAHMEIECEX-RTBURBONSA-N 1 3 302.462 2.327 20 0 DEADHO CNC[C@@](C)(O)C[N@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000565094306 292133483 /nfs/dbraw/zinc/13/34/83/292133483.db2.gz ZURNKAHMEIECEX-RTBURBONSA-N 1 3 302.462 2.327 20 0 DEADHO C[C@H](CC(=O)NC[C@@H](c1ccccc1)N(C)C)[C@H]1CCC[NH2+]C1 ZINC000261663610 145214831 /nfs/dbraw/zinc/21/48/31/145214831.db2.gz GKWWDONIIMJBQG-NJAFHUGGSA-N 1 3 317.477 2.431 20 0 DEADHO Cc1ccccc1CN(C)C(=O)CN1CCC([C@H](C)[NH3+])CC1 ZINC000261925143 145242429 /nfs/dbraw/zinc/24/24/29/145242429.db2.gz IMXMOMSQYLWQKJ-HNNXBMFYSA-N 1 3 303.450 2.013 20 0 DEADHO CCSc1cccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000262117753 145263331 /nfs/dbraw/zinc/26/33/31/145263331.db2.gz LOJOVQFONBJFCB-MRXNPFEDSA-N 1 3 305.491 2.278 20 0 DEADHO [NH3+][C@@H]1CCC[C@H]2CN(CCC(=O)Nc3ccccc3F)C[C@H]21 ZINC000262124048 145263781 /nfs/dbraw/zinc/26/37/81/145263781.db2.gz KYPCTTRQZMYTNI-GZBFAFLISA-N 1 3 305.397 2.214 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@H]([NH3+])[C@H](C)CC)N(C)C)cc1 ZINC000262275631 145273054 /nfs/dbraw/zinc/27/30/54/145273054.db2.gz XHKVWRZNHMPJRQ-XOKHGSTOSA-N 1 3 305.466 2.341 20 0 DEADHO COc1ccccc1N1CCN(C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000262451187 145285323 /nfs/dbraw/zinc/28/53/23/145285323.db2.gz HVQZZZRNKUWQJP-HZPDHXFCSA-N 1 3 303.450 2.205 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)CNC2 ZINC000316996594 145364489 /nfs/dbraw/zinc/36/44/89/145364489.db2.gz KIKRFRHUMQQIIP-CQSZACIVSA-N 1 3 301.434 2.284 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)CNC2 ZINC000316996594 145364491 /nfs/dbraw/zinc/36/44/91/145364491.db2.gz KIKRFRHUMQQIIP-CQSZACIVSA-N 1 3 301.434 2.284 20 0 DEADHO Cc1cc(CN(CCO)C2CC[NH+](C)CC2)cc2cccnc12 ZINC000346225355 146042572 /nfs/dbraw/zinc/04/25/72/146042572.db2.gz WGUJCWYQWDHRKF-UHFFFAOYSA-N 1 3 313.445 2.432 20 0 DEADHO CC[NH+](CC)CCOC1CCN(CCn2ccnc2C)CC1 ZINC000346319413 146060520 /nfs/dbraw/zinc/06/05/20/146060520.db2.gz XYWJBZILLWTMGA-UHFFFAOYSA-N 1 3 308.470 2.014 20 0 DEADHO Fc1ccc(CN2CCCN(C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000346842168 146151666 /nfs/dbraw/zinc/15/16/66/146151666.db2.gz HMHZIAMOQNGARM-QGZVFWFLSA-N 1 3 305.441 2.333 20 0 DEADHO C[NH2+]CC1CCN(Cc2ccc(O[C@H](C)C(=O)OC)cc2)CC1 ZINC000347120944 146197434 /nfs/dbraw/zinc/19/74/34/146197434.db2.gz ZFFAVZRBILDQCI-CQSZACIVSA-N 1 3 320.433 2.058 20 0 DEADHO C[C@H]([NH2+]CCc1ccn(C)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000348253596 146241921 /nfs/dbraw/zinc/24/19/21/146241921.db2.gz KMDMAEAWNNWNHQ-FUHWJXTLSA-N 1 3 312.461 2.463 20 0 DEADHO C[C@H](NCCc1ccn(C)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348253596 146241922 /nfs/dbraw/zinc/24/19/22/146241922.db2.gz KMDMAEAWNNWNHQ-FUHWJXTLSA-N 1 3 312.461 2.463 20 0 DEADHO C[C@H](NCCc1ccn(C)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348253596 146241923 /nfs/dbraw/zinc/24/19/23/146241923.db2.gz KMDMAEAWNNWNHQ-FUHWJXTLSA-N 1 3 312.461 2.463 20 0 DEADHO CCCC1(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000348318748 146254215 /nfs/dbraw/zinc/25/42/15/146254215.db2.gz JMLGEZYNRXCJOD-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO COCCCCC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000348850529 146320700 /nfs/dbraw/zinc/32/07/00/146320700.db2.gz UTASRAVMCGAWRZ-UHFFFAOYSA-N 1 3 311.514 2.153 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000349120960 146352705 /nfs/dbraw/zinc/35/27/05/146352705.db2.gz UVKWTDNRUAZMRL-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN[C@H](C)c2ccccc2C)CC1 ZINC000357060617 147032279 /nfs/dbraw/zinc/03/22/79/147032279.db2.gz CKEJNCWZERXMNW-OAHLLOKOSA-N 1 3 303.450 2.246 20 0 DEADHO C[C@@H](C(=O)NCc1ccccc1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357098298 147041483 /nfs/dbraw/zinc/04/14/83/147041483.db2.gz AKRHIALXLQUKJM-YJBOKZPZSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@H](CN(C)C)NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000358522249 147149662 /nfs/dbraw/zinc/14/96/62/147149662.db2.gz JZIBQFSXRNZYSF-ZACQAIPSSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H](CN(C)C)NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000358522249 147149664 /nfs/dbraw/zinc/14/96/64/147149664.db2.gz JZIBQFSXRNZYSF-ZACQAIPSSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H]1CCCN(CCNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000358778105 147203171 /nfs/dbraw/zinc/20/31/71/147203171.db2.gz BORYCGJTLQTLES-HOTGVXAUSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@H]1CCCN(CCNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000358778105 147203174 /nfs/dbraw/zinc/20/31/74/147203174.db2.gz BORYCGJTLQTLES-HOTGVXAUSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H](CNC(=O)[C@H](CN)c1ccc(F)cc1)[N@@H+]1CCCC[C@H]1C ZINC000358853801 147219535 /nfs/dbraw/zinc/21/95/35/147219535.db2.gz INGQCEUESFMENF-JKIFEVAISA-N 1 3 321.440 2.247 20 0 DEADHO C[C@@H](CNC(=O)[C@H](CN)c1ccc(F)cc1)[N@H+]1CCCC[C@H]1C ZINC000358853801 147219537 /nfs/dbraw/zinc/21/95/37/147219537.db2.gz INGQCEUESFMENF-JKIFEVAISA-N 1 3 321.440 2.247 20 0 DEADHO C[C@@H](CNC(=O)[C@H](CN)c1ccc(F)cc1)[NH+]1CCC(C)CC1 ZINC000358867608 147221708 /nfs/dbraw/zinc/22/17/08/147221708.db2.gz UAEVQOOPZUWKTM-WMLDXEAASA-N 1 3 321.440 2.105 20 0 DEADHO O=C(c1ccsc1)N1CCCN(CCC2CC[NH2+]CC2)CC1 ZINC000359198719 147280046 /nfs/dbraw/zinc/28/00/46/147280046.db2.gz CMVHJKNREFKLOW-UHFFFAOYSA-N 1 3 321.490 2.286 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000359269552 147296153 /nfs/dbraw/zinc/29/61/53/147296153.db2.gz YLVOVOKWGBDUEM-GOSISDBHSA-N 1 3 317.477 2.009 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000359269552 147296156 /nfs/dbraw/zinc/29/61/56/147296156.db2.gz YLVOVOKWGBDUEM-GOSISDBHSA-N 1 3 317.477 2.009 20 0 DEADHO C[C@]1(C(=O)NCCOc2ccc(C(F)(F)F)cc2)CCC[NH2+]1 ZINC000565652147 292175122 /nfs/dbraw/zinc/17/51/22/292175122.db2.gz WFDWIYIOZUBEHQ-CQSZACIVSA-N 1 3 316.323 2.343 20 0 DEADHO CC(C)[C@]1(C)C[C@@H]1NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000565701539 292176670 /nfs/dbraw/zinc/17/66/70/292176670.db2.gz IRRCLZTVBLWABE-WDSOQIARSA-N 1 3 316.445 2.174 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000375217996 148344390 /nfs/dbraw/zinc/34/43/90/148344390.db2.gz LQGOLYKTFANBIZ-UHFFFAOYSA-N 1 3 304.438 2.031 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)CC[C@H](C)[NH3+])N2CCCC2)cc1 ZINC000193305728 292199160 /nfs/dbraw/zinc/19/91/60/292199160.db2.gz ZQQLNRNMORCKMD-DOTOQJQBSA-N 1 3 303.450 2.376 20 0 DEADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@H]2CCCCN2CC)CC1 ZINC000111883561 401727302 /nfs/dbraw/zinc/72/73/02/401727302.db2.gz SSLWPCMAVXPBDF-QGZVFWFLSA-N 1 3 324.513 2.377 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000127473705 401736232 /nfs/dbraw/zinc/73/62/32/401736232.db2.gz PVBDRSGPWTZWHI-HOCLYGCPSA-N 1 3 322.497 2.175 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H](C)C[C@@H](C)C2)CC1 ZINC000127601505 401742278 /nfs/dbraw/zinc/74/22/78/401742278.db2.gz WMOAVUHEPCCMNI-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CCN(Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C)C2)cc1)C1CC1 ZINC000110651419 401692583 /nfs/dbraw/zinc/69/25/83/401692583.db2.gz PJZRZVJHABLEML-MRXNPFEDSA-N 1 3 315.461 2.352 20 0 DEADHO CCN(Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C)C2)cc1)C1CC1 ZINC000110651419 401692585 /nfs/dbraw/zinc/69/25/85/401692585.db2.gz PJZRZVJHABLEML-MRXNPFEDSA-N 1 3 315.461 2.352 20 0 DEADHO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414187930 299719725 /nfs/dbraw/zinc/71/97/25/299719725.db2.gz IPACYQGBZHHWFX-DLBZAZTESA-N 1 3 323.525 2.197 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+](C)C[C@H]2CCCO2)CC1 ZINC000128086170 401762220 /nfs/dbraw/zinc/76/22/20/401762220.db2.gz DVVUYWBOLUEYOG-GOSISDBHSA-N 1 3 317.477 2.439 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+](C)C[C@H]2CCCO2)CC1 ZINC000128086170 401762223 /nfs/dbraw/zinc/76/22/23/401762223.db2.gz DVVUYWBOLUEYOG-GOSISDBHSA-N 1 3 317.477 2.439 20 0 DEADHO CCCCCNC(=O)C1CC[NH+](CC[C@@H]2CCCN2C)CC1 ZINC000119110260 401926678 /nfs/dbraw/zinc/92/66/78/401926678.db2.gz OJFQGVVOZWSIQI-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CCOCCCN1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000119034858 401920575 /nfs/dbraw/zinc/92/05/75/401920575.db2.gz ITCFERFFOADGRE-UHFFFAOYSA-N 1 3 319.493 2.163 20 0 DEADHO CCOCCCN1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000119034858 401920578 /nfs/dbraw/zinc/92/05/78/401920578.db2.gz ITCFERFFOADGRE-UHFFFAOYSA-N 1 3 319.493 2.163 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000119505527 401955022 /nfs/dbraw/zinc/95/50/22/401955022.db2.gz WKDJXIXQOASGRY-QGZVFWFLSA-N 1 3 317.477 2.456 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000119505527 401955024 /nfs/dbraw/zinc/95/50/24/401955024.db2.gz WKDJXIXQOASGRY-QGZVFWFLSA-N 1 3 317.477 2.456 20 0 DEADHO CN(Cc1ccc(N2CCCC2)nc1)CC1CC[NH+](C)CC1 ZINC000093088887 402011832 /nfs/dbraw/zinc/01/18/32/402011832.db2.gz NSBPGMMZSGZQAT-UHFFFAOYSA-N 1 3 302.466 2.455 20 0 DEADHO CCC(CC)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051242080 402033537 /nfs/dbraw/zinc/03/35/37/402033537.db2.gz RBDSPVOOTFDUDC-UHFFFAOYSA-N 1 3 310.486 2.033 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000566193208 292216721 /nfs/dbraw/zinc/21/67/21/292216721.db2.gz VSUBAJYFNRGMIB-CVEARBPZSA-N 1 3 312.502 2.410 20 0 DEADHO Cc1csc(=O)n1CCN1CCC(CCC[NH+](C)C)CC1 ZINC000123248268 402117362 /nfs/dbraw/zinc/11/73/62/402117362.db2.gz RUSHMDSGNYJQKC-UHFFFAOYSA-N 1 3 311.495 2.272 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[NH2+]CC1CCC(C)CC1 ZINC001422745590 1172841279 /nfs/dbraw/zinc/84/12/79/1172841279.db2.gz JDZPOBOSRFNKGY-OWYJLGKBSA-N 1 3 306.454 2.181 20 0 DEADHO C[C@@H](CNC(=O)N(C)CC1CCN(C)CC1)C[NH+]1CCCCC1 ZINC000103608344 402192645 /nfs/dbraw/zinc/19/26/45/402192645.db2.gz ZCDPNSVBYHHLQX-INIZCTEOSA-N 1 3 324.513 2.092 20 0 DEADHO CN1CCC[C@H]1CC[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000124786388 402196775 /nfs/dbraw/zinc/19/67/75/402196775.db2.gz BFOWQRSMNPVGBM-SFHVURJKSA-N 1 3 315.461 2.365 20 0 DEADHO CC(C)N(C)CC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000067574233 402162982 /nfs/dbraw/zinc/16/29/82/402162982.db2.gz NHAFKFPEWUZZFT-UHFFFAOYSA-N 1 3 317.477 2.150 20 0 DEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H]2CCCN(C)C2)C1 ZINC000108554353 402257363 /nfs/dbraw/zinc/25/73/63/402257363.db2.gz WWLPFFDVVTUDOF-IRXDYDNUSA-N 1 3 324.513 2.140 20 0 DEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H]2CCCN(C)C2)C1 ZINC000108554353 402257365 /nfs/dbraw/zinc/25/73/65/402257365.db2.gz WWLPFFDVVTUDOF-IRXDYDNUSA-N 1 3 324.513 2.140 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCCN2CCC(C)CC2)C1 ZINC000105127331 402206972 /nfs/dbraw/zinc/20/69/72/402206972.db2.gz LMDWPHQZMJFRAY-KRWDZBQOSA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCCN2CCC(C)CC2)C1 ZINC000105127331 402206974 /nfs/dbraw/zinc/20/69/74/402206974.db2.gz LMDWPHQZMJFRAY-KRWDZBQOSA-N 1 3 324.513 2.138 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1C=CCCC1 ZINC000158532468 402307473 /nfs/dbraw/zinc/30/74/73/402307473.db2.gz NJSFSZOCHBUMAK-DLBZAZTESA-N 1 3 322.497 2.153 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1C=CCCC1 ZINC000158532468 402307475 /nfs/dbraw/zinc/30/74/75/402307475.db2.gz NJSFSZOCHBUMAK-DLBZAZTESA-N 1 3 322.497 2.153 20 0 DEADHO CC(C)N1CC[C@H](C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000229841916 402345611 /nfs/dbraw/zinc/34/56/11/402345611.db2.gz YXEDQXGSHAJLAM-WLYUNCDWSA-N 1 3 311.470 2.362 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](CNC2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000229841916 402345612 /nfs/dbraw/zinc/34/56/12/402345612.db2.gz YXEDQXGSHAJLAM-WLYUNCDWSA-N 1 3 311.470 2.362 20 0 DEADHO CC(C)[N@H+]1CC[C@H](CNC2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000229841916 402345613 /nfs/dbraw/zinc/34/56/13/402345613.db2.gz YXEDQXGSHAJLAM-WLYUNCDWSA-N 1 3 311.470 2.362 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](CN)c1ccccc1 ZINC000236753974 402380308 /nfs/dbraw/zinc/38/03/08/402380308.db2.gz XLGKXVCDUIFZJX-ROUUACIJSA-N 1 3 317.477 2.500 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](CN)c1ccccc1 ZINC000236753974 402380310 /nfs/dbraw/zinc/38/03/10/402380310.db2.gz XLGKXVCDUIFZJX-ROUUACIJSA-N 1 3 317.477 2.500 20 0 DEADHO C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000237240504 402401404 /nfs/dbraw/zinc/40/14/04/402401404.db2.gz JIIKUUQRDFCOHA-ZWKOTPCHSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@@H](C[NH3+])N(C)C(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000237444635 402408353 /nfs/dbraw/zinc/40/83/53/402408353.db2.gz WEPWCKOSGMYOFD-HOTGVXAUSA-N 1 3 317.477 2.135 20 0 DEADHO C[C@]1(C(=O)NCc2ccccc2CN2CCCCC2)CC[NH2+]C1 ZINC000237567943 402413431 /nfs/dbraw/zinc/41/34/31/402413431.db2.gz MXPPKTHWBWBSOS-IBGZPJMESA-N 1 3 315.461 2.288 20 0 DEADHO C[C@@H](CNC(=O)[C@]1(C)CCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000237609026 402415596 /nfs/dbraw/zinc/41/55/96/402415596.db2.gz NWPUVBISGDAXOE-MAUKXSAKSA-N 1 3 303.450 2.013 20 0 DEADHO [NH3+][C@@H]1CC[C@H](C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000237963455 402428207 /nfs/dbraw/zinc/42/82/07/402428207.db2.gz DMGQCPFCDASACQ-BBWFWOEESA-N 1 3 301.434 2.067 20 0 DEADHO [NH3+]Cc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000186468948 402433746 /nfs/dbraw/zinc/43/37/46/402433746.db2.gz IGCOIOJFTSOCFR-UHFFFAOYSA-N 1 3 301.434 2.236 20 0 DEADHO CCN(CCNC(=O)N1CCC(CCC[NH+](C)C)CC1)C1CC1 ZINC000161515322 402390446 /nfs/dbraw/zinc/39/04/46/402390446.db2.gz KZSKCIJRANLVRA-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO C[NH2+]C[C@@H](C)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000163890168 402458789 /nfs/dbraw/zinc/45/87/89/402458789.db2.gz VUGKBZGGQSHXQH-OAHLLOKOSA-N 1 3 303.450 2.144 20 0 DEADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000165311123 402475119 /nfs/dbraw/zinc/47/51/19/402475119.db2.gz KUSFTGGCAXNVCU-HOJAQTOUSA-N 1 3 315.505 2.481 20 0 DEADHO C[C@@H](C[NH2+]C1CCN(Cc2cccnc2)CC1)CN1CCCC1 ZINC000165337761 402475625 /nfs/dbraw/zinc/47/56/25/402475625.db2.gz KJFNWKRJFXOUOS-KRWDZBQOSA-N 1 3 316.493 2.368 20 0 DEADHO C[C@H](CC(=O)N1CCC[C@H]1CN1CCCCC1)C1CC[NH2+]CC1 ZINC000165689315 402477604 /nfs/dbraw/zinc/47/76/04/402477604.db2.gz FODQQODXXMRKCF-AEFFLSMTSA-N 1 3 321.509 2.489 20 0 DEADHO Cc1nc(C)c([C@@H](C)NCCN2CCC([NH+](C)C)CC2)s1 ZINC000178289663 402480293 /nfs/dbraw/zinc/48/02/93/402480293.db2.gz QYFKWYWFDFXQRB-GFCCVEGCSA-N 1 3 310.511 2.437 20 0 DEADHO CC(C)C[C@H](N)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000166208845 402482259 /nfs/dbraw/zinc/48/22/59/402482259.db2.gz UBMBRSPFUOIOHX-INIZCTEOSA-N 1 3 323.506 2.450 20 0 DEADHO CN(C(=O)[C@H]1CCCC[NH2+]1)C1CCN(Cc2ccccc2)CC1 ZINC000167667747 402493236 /nfs/dbraw/zinc/49/32/36/402493236.db2.gz NJQYKAJYUGVLME-GOSISDBHSA-N 1 3 315.461 2.252 20 0 DEADHO Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c(OCCN(C)C)c1 ZINC000169088099 402499946 /nfs/dbraw/zinc/49/99/46/402499946.db2.gz IXIAIEHYQFKLIZ-HUUCEWRRSA-N 1 3 319.449 2.391 20 0 DEADHO C[C@@H]1CCCCN1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000246058922 402506450 /nfs/dbraw/zinc/50/64/50/402506450.db2.gz DPJIKQNPYMIOOT-NVXWUHKLSA-N 1 3 303.450 2.280 20 0 DEADHO O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1CCCCN1 ZINC000178670019 402523942 /nfs/dbraw/zinc/52/39/42/402523942.db2.gz DVMVWSQIYVUVKO-QGZVFWFLSA-N 1 3 301.434 2.041 20 0 DEADHO C[C@@H](CNC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)N(C)C1CC1 ZINC000246395783 402529239 /nfs/dbraw/zinc/52/92/39/402529239.db2.gz JBLBYIPXORGAFC-RVKKMQEKSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000249315879 402626248 /nfs/dbraw/zinc/62/62/48/402626248.db2.gz OAGAFXGNDFZCEC-SJORKVTESA-N 1 3 324.513 2.425 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000249315879 402626250 /nfs/dbraw/zinc/62/62/50/402626250.db2.gz OAGAFXGNDFZCEC-SJORKVTESA-N 1 3 324.513 2.425 20 0 DEADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000190123811 402577873 /nfs/dbraw/zinc/57/78/73/402577873.db2.gz FFMWPNLXNMTZBI-KRWDZBQOSA-N 1 3 324.513 2.378 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cnn(C(C)C)c2C)CC1 ZINC000191174415 402648156 /nfs/dbraw/zinc/64/81/56/402648156.db2.gz ZWJZSXMMJHPDSD-HOTGVXAUSA-N 1 3 321.513 2.449 20 0 DEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000251667270 402648825 /nfs/dbraw/zinc/64/88/25/402648825.db2.gz LLDKGVCYKYBEJW-PMPSAXMXSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)NCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000252196970 402652894 /nfs/dbraw/zinc/65/28/94/402652894.db2.gz SNOVSYSRJKGVMZ-IAGOWNOFSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)NCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000252196970 402652897 /nfs/dbraw/zinc/65/28/97/402652897.db2.gz SNOVSYSRJKGVMZ-IAGOWNOFSA-N 1 3 324.513 2.282 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCCC[C@H]2C[NH+](C)C)c1 ZINC000172770598 402674985 /nfs/dbraw/zinc/67/49/85/402674985.db2.gz IVXKUWDQZZRBBW-KRWDZBQOSA-N 1 3 303.450 2.305 20 0 DEADHO CCC[C@](C)([NH3+])C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000262570795 402727447 /nfs/dbraw/zinc/72/74/47/402727447.db2.gz MYEXGHQLRFKFKO-KSSFIOAISA-N 1 3 318.465 2.241 20 0 DEADHO C[C@@H](CNCc1c(Cl)cccc1N1CCN(C)CC1)[NH+](C)C ZINC000271370200 402863487 /nfs/dbraw/zinc/86/34/87/402863487.db2.gz JNFSOQNAIPQCHK-AWEZNQCLSA-N 1 3 324.900 2.132 20 0 DEADHO CCN1CCN(CCCC[NH2+][C@H](C)c2cnccc2C)CC1 ZINC000271519623 402878634 /nfs/dbraw/zinc/87/86/34/402878634.db2.gz VOJHJDGZDBPQDA-QGZVFWFLSA-N 1 3 304.482 2.458 20 0 DEADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)/C=C/CN(C)C)c1 ZINC000265678418 402939883 /nfs/dbraw/zinc/93/98/83/402939883.db2.gz IVOYWULHFWWOFP-JXMROGBWSA-N 1 3 303.450 2.261 20 0 DEADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)/C=C/CN(C)C)c1 ZINC000265678418 402939886 /nfs/dbraw/zinc/93/98/86/402939886.db2.gz IVOYWULHFWWOFP-JXMROGBWSA-N 1 3 303.450 2.261 20 0 DEADHO Cc1ccc([C@H](CNC(=O)N2CCCC[C@@H]2C[NH3+])N(C)C)cc1 ZINC000417304879 292252351 /nfs/dbraw/zinc/25/23/51/292252351.db2.gz FVHSWPTYQHOSHT-SJORKVTESA-N 1 3 318.465 2.121 20 0 DEADHO COc1coc(C[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)cc1=O ZINC000273306707 402992873 /nfs/dbraw/zinc/99/28/73/402992873.db2.gz SPCQIRZCPSIVQE-ZIAGYGMSSA-N 1 3 320.433 2.391 20 0 DEADHO COCC[N@H+](C)CCCN[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000266828261 402994388 /nfs/dbraw/zinc/99/43/88/402994388.db2.gz DHGFIQORSQWWOD-AWEZNQCLSA-N 1 3 310.438 2.323 20 0 DEADHO COCC[N@@H+](C)CCCN[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000266828261 402994391 /nfs/dbraw/zinc/99/43/91/402994391.db2.gz DHGFIQORSQWWOD-AWEZNQCLSA-N 1 3 310.438 2.323 20 0 DEADHO C[C@H](CC(N)=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000267240748 403028330 /nfs/dbraw/zinc/02/83/30/403028330.db2.gz MOSGUUXSULPDQK-HUUCEWRRSA-N 1 3 303.450 2.272 20 0 DEADHO C[C@H](CC(N)=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000267240748 403028332 /nfs/dbraw/zinc/02/83/32/403028332.db2.gz MOSGUUXSULPDQK-HUUCEWRRSA-N 1 3 303.450 2.272 20 0 DEADHO C[C@H](CC(N)=O)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000267245505 403028730 /nfs/dbraw/zinc/02/87/30/403028730.db2.gz NFGRYZWYSJCZBD-CYBMUJFWSA-N 1 3 323.868 2.406 20 0 DEADHO C[C@@H](CC(N)=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000267275275 403031659 /nfs/dbraw/zinc/03/16/59/403031659.db2.gz TYLHRTRSTANTFR-LSDHHAIUSA-N 1 3 303.450 2.415 20 0 DEADHO C[C@@H](CC(N)=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000267275275 403031660 /nfs/dbraw/zinc/03/16/60/403031660.db2.gz TYLHRTRSTANTFR-LSDHHAIUSA-N 1 3 303.450 2.415 20 0 DEADHO C[C@H](NC1CC[NH+](C2CC2)CC1)c1ccc(NC(N)=O)cc1 ZINC000268776747 403112716 /nfs/dbraw/zinc/11/27/16/403112716.db2.gz VXTLKXBFJDWSFK-LBPRGKRZSA-N 1 3 302.422 2.455 20 0 DEADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000268781293 403113098 /nfs/dbraw/zinc/11/30/98/403113098.db2.gz YDNDOJGFUXUIFJ-KEYYUXOJSA-N 1 3 303.450 2.207 20 0 DEADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc2c(c1)COC2 ZINC000268770455 403112123 /nfs/dbraw/zinc/11/21/23/403112123.db2.gz PRVVNJOESNNIHQ-HNNXBMFYSA-N 1 3 317.477 2.393 20 0 DEADHO COc1cccc2c1CC[C@@H]2[NH2+]C1CCN(CCN(C)C)CC1 ZINC000268790780 403114216 /nfs/dbraw/zinc/11/42/16/403114216.db2.gz XTIOIPFUFOPZFP-SFHVURJKSA-N 1 3 317.477 2.298 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc3c(c2)COC3)CC1 ZINC000268832637 403119238 /nfs/dbraw/zinc/11/92/38/403119238.db2.gz RKEPSVBFHFYYDW-MRXNPFEDSA-N 1 3 317.477 2.395 20 0 DEADHO c1cc(N2CCN(CCC[NH2+]C(C3CC3)C3CC3)CC2)ccn1 ZINC000268833464 403119311 /nfs/dbraw/zinc/11/93/11/403119311.db2.gz TWRCDDQIYGEYSH-UHFFFAOYSA-N 1 3 314.477 2.372 20 0 DEADHO COc1cc(C)c([C@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1OC ZINC000269004458 403122492 /nfs/dbraw/zinc/12/24/92/403122492.db2.gz QDRJXYYJQDUXDP-AWEZNQCLSA-N 1 3 322.449 2.120 20 0 DEADHO COc1ccc2c(c1)[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)CC2 ZINC000282165772 403128692 /nfs/dbraw/zinc/12/86/92/403128692.db2.gz DQYOZMXXYHTABQ-GOSISDBHSA-N 1 3 317.477 2.298 20 0 DEADHO CN1CCN(CC[NH2+]Cc2cccc3cccnc32)CC1(C)C ZINC000282188052 403130752 /nfs/dbraw/zinc/13/07/52/403130752.db2.gz BTONRKQLOLWAOM-UHFFFAOYSA-N 1 3 312.461 2.350 20 0 DEADHO COCCC[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(F)cc1 ZINC000282344841 403145098 /nfs/dbraw/zinc/14/50/98/403145098.db2.gz OXZMHTKAEPBWDK-QGZVFWFLSA-N 1 3 324.440 2.340 20 0 DEADHO CSc1ccc([C@H](CNC(=O)N(C)CCC[NH3+])N(C)C)cc1 ZINC000566786885 292267912 /nfs/dbraw/zinc/26/79/12/292267912.db2.gz AXQDNXUCDXTLTF-HNNXBMFYSA-N 1 3 324.494 2.001 20 0 DEADHO CCN1CCC(NC(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000345328766 403288709 /nfs/dbraw/zinc/28/87/09/403288709.db2.gz XAQOENMHVTWJBR-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1-n1ccnn1 ZINC000285672508 403353795 /nfs/dbraw/zinc/35/37/95/403353795.db2.gz NNPKWWKRJCQZKS-LSDHHAIUSA-N 1 3 311.433 2.402 20 0 DEADHO C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1-n1ccnn1 ZINC000285672508 403353797 /nfs/dbraw/zinc/35/37/97/403353797.db2.gz NNPKWWKRJCQZKS-LSDHHAIUSA-N 1 3 311.433 2.402 20 0 DEADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@H](C)O1 ZINC000339015562 403322169 /nfs/dbraw/zinc/32/21/69/403322169.db2.gz ZQPGTOHHDODRIJ-JZXOWHBKSA-N 1 3 310.482 2.377 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CC(C)(C)[C@@H]3CCC[C@H]32)CC1 ZINC000339718765 403428631 /nfs/dbraw/zinc/42/86/31/403428631.db2.gz LQRBXHZEZAHKFT-HZPDHXFCSA-N 1 3 307.482 2.097 20 0 DEADHO C[N@@H+]1CCC[C@@]2(CCN(C[C@H](O)CCc3ccccc3)C2)C1 ZINC000293117438 403392074 /nfs/dbraw/zinc/39/20/74/403392074.db2.gz YYFCRQSRCNIBKM-RTBURBONSA-N 1 3 302.462 2.398 20 0 DEADHO C[N@H+]1CCC[C@@]2(CCN(C[C@H](O)CCc3ccccc3)C2)C1 ZINC000293117438 403392076 /nfs/dbraw/zinc/39/20/76/403392076.db2.gz YYFCRQSRCNIBKM-RTBURBONSA-N 1 3 302.462 2.398 20 0 DEADHO C[NH2+]CCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000285846836 403393578 /nfs/dbraw/zinc/39/35/78/403393578.db2.gz XGOGSUNUDXZKIW-DOTOQJQBSA-N 1 3 303.450 2.107 20 0 DEADHO C[C@H](C[NH3+])C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000285862882 403398293 /nfs/dbraw/zinc/39/82/93/403398293.db2.gz ZDBOYQYAHRGEFR-HLLBOEOZSA-N 1 3 303.450 2.093 20 0 DEADHO C[C@H](CCNC(=O)N[C@H]1CCN(C)[C@H](C)C1)[NH+]1CCCCC1 ZINC000345691801 403439725 /nfs/dbraw/zinc/43/97/25/403439725.db2.gz KJRVUVXLAQSTAE-OAGGEKHMSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CCCN1C ZINC000345753744 403470227 /nfs/dbraw/zinc/47/02/27/403470227.db2.gz QPXVVCJWSUZYDF-IKGGRYGDSA-N 1 3 322.497 2.129 20 0 DEADHO C[NH+](C)CCC1CCN(C[C@@H](O)COc2ccccc2F)CC1 ZINC000298839154 403472522 /nfs/dbraw/zinc/47/25/22/403472522.db2.gz FGBRDHBQLUMVOD-MRXNPFEDSA-N 1 3 324.440 2.229 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@@H]([NH3+])CC(F)F)c1ccsc1 ZINC000345767984 403476317 /nfs/dbraw/zinc/47/63/17/403476317.db2.gz WLOGRLFHQMXFCO-RYUDHWBXSA-N 1 3 319.421 2.230 20 0 DEADHO CN(CCCN(C)C(=O)C12CCC[NH+]1CCC2)Cc1ccco1 ZINC000286338914 403503616 /nfs/dbraw/zinc/50/36/16/403503616.db2.gz AWEVWDFDKRKGAY-UHFFFAOYSA-N 1 3 319.449 2.188 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000343431521 403587630 /nfs/dbraw/zinc/58/76/30/403587630.db2.gz GASYSUXPSQGPQI-KKXDTOCCSA-N 1 3 311.429 2.344 20 0 DEADHO CC[C@H](C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2)N(CC)CC ZINC000343435769 403588794 /nfs/dbraw/zinc/58/87/94/403588794.db2.gz KSJCLBOUTPGKOM-ZYHUDNBSSA-N 1 3 310.467 2.018 20 0 DEADHO C[C@@H](NCc1ccncc1OCCC[NH+](C)C)[C@]1(C)CCCO1 ZINC000340402421 403605567 /nfs/dbraw/zinc/60/55/67/403605567.db2.gz PQFFXXIUDFNQKA-QAPCUYQASA-N 1 3 321.465 2.459 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000299978354 403580781 /nfs/dbraw/zinc/58/07/81/403580781.db2.gz ICSAFARELJQBPZ-GJZGRUSLSA-N 1 3 311.470 2.316 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000299978354 403580783 /nfs/dbraw/zinc/58/07/83/403580783.db2.gz ICSAFARELJQBPZ-GJZGRUSLSA-N 1 3 311.470 2.316 20 0 DEADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000299978354 403580785 /nfs/dbraw/zinc/58/07/85/403580785.db2.gz ICSAFARELJQBPZ-GJZGRUSLSA-N 1 3 311.470 2.316 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000346280946 403582968 /nfs/dbraw/zinc/58/29/68/403582968.db2.gz KKNOROVJYSLVCM-ZACQAIPSSA-N 1 3 307.482 2.194 20 0 DEADHO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CCCCCN1CCCC1 ZINC000340477395 403623708 /nfs/dbraw/zinc/62/37/08/403623708.db2.gz VYGRXONFXCJZDC-HZPDHXFCSA-N 1 3 316.511 2.198 20 0 DEADHO COc1ccc([C@H](CN[C@H]2CCC[C@@H]2C[NH3+])N(C)C)cc1OC ZINC000422987739 286373089 /nfs/dbraw/zinc/37/30/89/286373089.db2.gz IYGFWZFAEXGGFC-PMPSAXMXSA-N 1 3 321.465 2.024 20 0 DEADHO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C)C1CCC1 ZINC000347263678 403641950 /nfs/dbraw/zinc/64/19/50/403641950.db2.gz ICAFONSWHXQWKJ-QAPCUYQASA-N 1 3 317.477 2.054 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCCN1C ZINC000343613540 403662927 /nfs/dbraw/zinc/66/29/27/403662927.db2.gz GPOMPTQALKYKLS-TZMCWYRMSA-N 1 3 310.486 2.078 20 0 DEADHO c1cc(N2CCC([NH2+][C@@H]3CCN4CCCC[C@H]34)CC2)ccn1 ZINC000294213969 403674482 /nfs/dbraw/zinc/67/44/82/403674482.db2.gz MUKKIWOPVZWFPV-QZTJIDSGSA-N 1 3 300.450 2.267 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000333252675 403707184 /nfs/dbraw/zinc/70/71/84/403707184.db2.gz HCFQGQPLSFTBKT-OIISXLGYSA-N 1 3 316.449 2.271 20 0 DEADHO Cc1noc([C@@H]2CC[C@H](CNC3CC[NH+](C(C)C)CC3)O2)n1 ZINC000333020900 403649289 /nfs/dbraw/zinc/64/92/89/403649289.db2.gz IXORUYQBFGMDHN-CABCVRRESA-N 1 3 308.426 2.061 20 0 DEADHO Cc1cncc([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000343870118 403769351 /nfs/dbraw/zinc/76/93/51/403769351.db2.gz XMOBHXQXBNASGY-QGTPRVQTSA-N 1 3 303.450 2.418 20 0 DEADHO Cc1cc(N2CCC([NH2+][C@@H]3CCNCC[C@@H]3C)CC2)nc(C)n1 ZINC000333296115 403719711 /nfs/dbraw/zinc/71/97/11/403719711.db2.gz PIBAZSQEKCUSTF-SUMWQHHRSA-N 1 3 317.481 2.040 20 0 DEADHO CC(=O)NC1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000333315466 403723128 /nfs/dbraw/zinc/72/31/28/403723128.db2.gz SRCREAMLHNEZBN-NUUXYWTLSA-N 1 3 307.482 2.334 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000341045794 403749516 /nfs/dbraw/zinc/74/95/16/403749516.db2.gz IEEXVPLHNOKJKG-ZBFHGGJFSA-N 1 3 310.486 2.033 20 0 DEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000567102597 292289120 /nfs/dbraw/zinc/28/91/20/292289120.db2.gz VETZYPPNNHTVJJ-MSOLQXFVSA-N 1 3 323.525 2.376 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCN2CCC(C)CC2)C[C@H]1C ZINC000361733809 403829966 /nfs/dbraw/zinc/82/99/66/403829966.db2.gz CYUZVVJZIYGHRY-SJORKVTESA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCCN2CCC(C)CC2)C[C@H]1C ZINC000361733809 403829975 /nfs/dbraw/zinc/82/99/75/403829975.db2.gz CYUZVVJZIYGHRY-SJORKVTESA-N 1 3 324.513 2.233 20 0 DEADHO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN2CCC(C)CC2)cc1 ZINC000305109619 403836928 /nfs/dbraw/zinc/83/69/28/403836928.db2.gz FFHYZVARYSYUET-NVXWUHKLSA-N 1 3 306.450 2.439 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000347624438 403780837 /nfs/dbraw/zinc/78/08/37/403780837.db2.gz NHINPPPXUCIIEV-KURKYZTESA-N 1 3 315.461 2.285 20 0 DEADHO COc1cc([C@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)ccn1 ZINC000347633435 403784005 /nfs/dbraw/zinc/78/40/05/403784005.db2.gz DCOKYEJVDVMXJO-INIZCTEOSA-N 1 3 320.481 2.157 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000341149706 403797225 /nfs/dbraw/zinc/79/72/25/403797225.db2.gz XZWAQKRHOKXNNS-CVEARBPZSA-N 1 3 312.502 2.280 20 0 DEADHO CC(C)N1CCCN(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000341216244 403839977 /nfs/dbraw/zinc/83/99/77/403839977.db2.gz USVXIBDJSBQFEN-IAGOWNOFSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)N1CCCN(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000341216244 403839979 /nfs/dbraw/zinc/83/99/79/403839979.db2.gz USVXIBDJSBQFEN-IAGOWNOFSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H](NC1CC1)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000295320471 403852510 /nfs/dbraw/zinc/85/25/10/403852510.db2.gz YZBLHNOZXDUTFV-KBPBESRZSA-N 1 3 303.450 2.373 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+][C@@H]2CCO[C@H](C)C2)CC1 ZINC000354709062 403960009 /nfs/dbraw/zinc/96/00/09/403960009.db2.gz PSOJJLBCHZMJSI-SJLPKXTDSA-N 1 3 317.477 2.486 20 0 DEADHO C[C@@H]1CCNC(=O)[C@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411701404 403943694 /nfs/dbraw/zinc/94/36/94/403943694.db2.gz ZTELVWBCIVWAQS-QAPCUYQASA-N 1 3 315.461 2.287 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@]2(C)CCCO)CC1 ZINC000337323272 403981571 /nfs/dbraw/zinc/98/15/71/403981571.db2.gz SFLOUXBBHBKOTN-GOSISDBHSA-N 1 3 311.514 2.030 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@]2(C)CCCO)CC1 ZINC000337323272 403981575 /nfs/dbraw/zinc/98/15/75/403981575.db2.gz SFLOUXBBHBKOTN-GOSISDBHSA-N 1 3 311.514 2.030 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]CC[C@H]2CCOC2)CC1 ZINC000344280253 404026965 /nfs/dbraw/zinc/02/69/65/404026965.db2.gz VYXCSOBQXPJXIG-KRWDZBQOSA-N 1 3 317.477 2.345 20 0 DEADHO CC[C@H]1CC[C@H]1[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000348073034 404032890 /nfs/dbraw/zinc/03/28/90/404032890.db2.gz ZENKALPIBJQXPM-FUHWJXTLSA-N 1 3 302.466 2.372 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCCCC1 ZINC000362676730 403979717 /nfs/dbraw/zinc/97/97/17/403979717.db2.gz ZMEDNIBRSPSATE-IKGGRYGDSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCCCC1 ZINC000362676730 403979724 /nfs/dbraw/zinc/97/97/24/403979724.db2.gz ZMEDNIBRSPSATE-IKGGRYGDSA-N 1 3 307.482 2.192 20 0 DEADHO CN(CCCO)C1CC[NH+](CCCCOC(C)(C)C)CC1 ZINC000354895133 404086796 /nfs/dbraw/zinc/08/67/96/404086796.db2.gz PJOPLMCPNPPVMJ-UHFFFAOYSA-N 1 3 300.487 2.360 20 0 DEADHO NC(=O)[C@@H]1CN(CCC[NH+]2CCCCC2)C[C@H]1c1ccccc1 ZINC000411971761 404038248 /nfs/dbraw/zinc/03/82/48/404038248.db2.gz KIJQEVJCAPXMAC-ZWKOTPCHSA-N 1 3 315.461 2.063 20 0 DEADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000290128349 404054102 /nfs/dbraw/zinc/05/41/02/404054102.db2.gz JUKFGRAJOMDMDG-SZMVWBNQSA-N 1 3 317.477 2.257 20 0 DEADHO CCC[C@@](C)(O)C[NH2+]Cc1ccccc1N1CCN(CC)CC1 ZINC000344404918 404112134 /nfs/dbraw/zinc/11/21/34/404112134.db2.gz FDMRBSBSGXWCHT-LJQANCHMSA-N 1 3 319.493 2.469 20 0 DEADHO Cn1ccc(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)n1 ZINC000355068153 404194380 /nfs/dbraw/zinc/19/43/80/404194380.db2.gz VOTRDQHCDVTBKL-YSIASYRMSA-N 1 3 324.472 2.463 20 0 DEADHO Cn1ccc(CCN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000355068153 404194390 /nfs/dbraw/zinc/19/43/90/404194390.db2.gz VOTRDQHCDVTBKL-YSIASYRMSA-N 1 3 324.472 2.463 20 0 DEADHO Cn1ccc(CCN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000355068153 404194398 /nfs/dbraw/zinc/19/43/98/404194398.db2.gz VOTRDQHCDVTBKL-YSIASYRMSA-N 1 3 324.472 2.463 20 0 DEADHO CC(C)CCO[C@@H]1CCCC[C@@H]1NC[C@H](O)C[N@H+](C)C1CC1 ZINC000352365197 404318907 /nfs/dbraw/zinc/31/89/07/404318907.db2.gz OLKSKARGRPFRSP-OKZBNKHCSA-N 1 3 312.498 2.405 20 0 DEADHO CC(C)CCO[C@@H]1CCCC[C@@H]1NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000352365197 404318913 /nfs/dbraw/zinc/31/89/13/404318913.db2.gz OLKSKARGRPFRSP-OKZBNKHCSA-N 1 3 312.498 2.405 20 0 DEADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(C(C)=O)CC1 ZINC000344824568 404389823 /nfs/dbraw/zinc/38/98/23/404389823.db2.gz MTNAVEJNQSGSOO-FUHWJXTLSA-N 1 3 309.498 2.488 20 0 DEADHO [NH3+]CC[C@H]1CCCCN1CCC(=O)N1CCc2sccc2C1 ZINC000352475752 404397985 /nfs/dbraw/zinc/39/79/85/404397985.db2.gz FPJZHNIFBONKGI-OAHLLOKOSA-N 1 3 321.490 2.226 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)N(C)C ZINC000370646540 404400396 /nfs/dbraw/zinc/40/03/96/404400396.db2.gz VYJQMUOQPAXSHS-DLBZAZTESA-N 1 3 303.450 2.060 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)N(C)C ZINC000370646540 404400405 /nfs/dbraw/zinc/40/04/05/404400405.db2.gz VYJQMUOQPAXSHS-DLBZAZTESA-N 1 3 303.450 2.060 20 0 DEADHO CC[NH+](CC)CC1CCN(C(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC000344872592 404418732 /nfs/dbraw/zinc/41/87/32/404418732.db2.gz LXYDKAXRQYDNSB-HZPDHXFCSA-N 1 3 309.498 2.440 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000356277849 404419328 /nfs/dbraw/zinc/41/93/28/404419328.db2.gz JJUCRXVRNAUYCF-LJQANCHMSA-N 1 3 315.461 2.306 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000356277849 404419336 /nfs/dbraw/zinc/41/93/36/404419336.db2.gz JJUCRXVRNAUYCF-LJQANCHMSA-N 1 3 315.461 2.306 20 0 DEADHO CN(C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CCN(C)CC1 ZINC000373025049 404525274 /nfs/dbraw/zinc/52/52/74/404525274.db2.gz KIJGVAHGFCUOIY-QGZVFWFLSA-N 1 3 307.482 2.336 20 0 DEADHO CN(C(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C1CCN(C)CC1 ZINC000373025049 404525278 /nfs/dbraw/zinc/52/52/78/404525278.db2.gz KIJGVAHGFCUOIY-QGZVFWFLSA-N 1 3 307.482 2.336 20 0 DEADHO COc1ccc([C@H](CO)CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000414190574 404542441 /nfs/dbraw/zinc/54/24/41/404542441.db2.gz RVGIPFDEPWLWDP-AHEZYBDSSA-N 1 3 306.450 2.089 20 0 DEADHO COc1ccc([C@H](CO)CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000414190574 404542446 /nfs/dbraw/zinc/54/24/46/404542446.db2.gz RVGIPFDEPWLWDP-AHEZYBDSSA-N 1 3 306.450 2.089 20 0 DEADHO CCC(CC)[C@@H](CNC(=O)NC[C@H]1CCCN1C)[NH+]1CCCC1 ZINC000338804227 404556395 /nfs/dbraw/zinc/55/63/95/404556395.db2.gz LDYAKWPQOAZWEN-IAGOWNOFSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000291878085 404563422 /nfs/dbraw/zinc/56/34/22/404563422.db2.gz LIIDCHZQENAWJC-BMFZPTHFSA-N 1 3 318.417 2.136 20 0 DEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000291878085 404563427 /nfs/dbraw/zinc/56/34/27/404563427.db2.gz LIIDCHZQENAWJC-BMFZPTHFSA-N 1 3 318.417 2.136 20 0 DEADHO C[N@H+]1CC=C(CNCc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000345174752 404594797 /nfs/dbraw/zinc/59/47/97/404594797.db2.gz NPKWAWLHEZICQJ-UHFFFAOYSA-N 1 3 300.381 2.363 20 0 DEADHO C[N@@H+]1CC=C(CNCc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000345174752 404594800 /nfs/dbraw/zinc/59/48/00/404594800.db2.gz NPKWAWLHEZICQJ-UHFFFAOYSA-N 1 3 300.381 2.363 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297574975 404571359 /nfs/dbraw/zinc/57/13/59/404571359.db2.gz IAWFKJOUMYEUPX-KDOFPFPSSA-N 1 3 300.450 2.123 20 0 DEADHO COc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H](N(C)C)CC2)c1 ZINC000365407289 404650326 /nfs/dbraw/zinc/65/03/26/404650326.db2.gz ZGMOIFIQCQGHLG-MRXNPFEDSA-N 1 3 319.449 2.440 20 0 DEADHO COc1cccc(NC(=O)CC[N@H+]2CCC[C@@H](N(C)C)CC2)c1 ZINC000365407289 404650333 /nfs/dbraw/zinc/65/03/33/404650333.db2.gz ZGMOIFIQCQGHLG-MRXNPFEDSA-N 1 3 319.449 2.440 20 0 DEADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H]3CCCOC3)CC2)C[C@H](C)O1 ZINC000342619231 404680946 /nfs/dbraw/zinc/68/09/46/404680946.db2.gz SYWVZLHVSKGLSN-JZXOWHBKSA-N 1 3 310.482 2.234 20 0 DEADHO CC[N@@H+](Cc1ccccc1C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414669876 404704118 /nfs/dbraw/zinc/70/41/18/404704118.db2.gz CCZHRPXXHXUEIZ-MRXNPFEDSA-N 1 3 303.450 2.014 20 0 DEADHO CC[N@H+](Cc1ccccc1C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414669876 404704121 /nfs/dbraw/zinc/70/41/21/404704121.db2.gz CCZHRPXXHXUEIZ-MRXNPFEDSA-N 1 3 303.450 2.014 20 0 DEADHO CC(C)[N@@H+](Cc1cccs1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414675739 404706035 /nfs/dbraw/zinc/70/60/35/404706035.db2.gz MLTPGFINSNEVGM-AWEZNQCLSA-N 1 3 309.479 2.156 20 0 DEADHO CC(C)[N@H+](Cc1cccs1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414675739 404706038 /nfs/dbraw/zinc/70/60/38/404706038.db2.gz MLTPGFINSNEVGM-AWEZNQCLSA-N 1 3 309.479 2.156 20 0 DEADHO CCO[C@H]1C[C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C12CCCC2 ZINC000374233330 404701642 /nfs/dbraw/zinc/70/16/42/404701642.db2.gz ZGOUWQUJRUFJGU-SJORKVTESA-N 1 3 323.525 2.340 20 0 DEADHO c1cc(N2CCCC2)ncc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414765768 404728324 /nfs/dbraw/zinc/72/83/24/404728324.db2.gz GDDLHNSOPPBAMS-CALCHBBNSA-N 1 3 300.450 2.113 20 0 DEADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NC1CC[NH2+]CC1 ZINC000414782337 404733873 /nfs/dbraw/zinc/73/38/73/404733873.db2.gz OQBQSYSWAKXYBF-CYBMUJFWSA-N 1 3 323.868 2.419 20 0 DEADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C1CCNCC1 ZINC000414782337 404733876 /nfs/dbraw/zinc/73/38/76/404733876.db2.gz OQBQSYSWAKXYBF-CYBMUJFWSA-N 1 3 323.868 2.419 20 0 DEADHO [NH3+]C[C@H]1CN(Cc2cccc3cccnc32)CC12CCOCC2 ZINC000414791769 404737052 /nfs/dbraw/zinc/73/70/52/404737052.db2.gz QVYJWAAIBSHOGA-KRWDZBQOSA-N 1 3 311.429 2.422 20 0 DEADHO NC[C@H]1C[N@H+](Cc2cccc3cccnc32)CC12CCOCC2 ZINC000414791769 404737053 /nfs/dbraw/zinc/73/70/53/404737053.db2.gz QVYJWAAIBSHOGA-KRWDZBQOSA-N 1 3 311.429 2.422 20 0 DEADHO NC[C@H]1C[N@@H+](Cc2cccc3cccnc32)CC12CCOCC2 ZINC000414791769 404737054 /nfs/dbraw/zinc/73/70/54/404737054.db2.gz QVYJWAAIBSHOGA-KRWDZBQOSA-N 1 3 311.429 2.422 20 0 DEADHO O[C@H]1C[NH2+]C[C@@H]1CNCCCCc1ccc(Cl)c(Cl)c1 ZINC000414800274 404738853 /nfs/dbraw/zinc/73/88/53/404738853.db2.gz ZERKDFJSMJCCDZ-WFASDCNBSA-N 1 3 317.260 2.486 20 0 DEADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@H](N)C(C)C ZINC000414802830 404739172 /nfs/dbraw/zinc/73/91/72/404739172.db2.gz VZURKISNIFJGKS-ZDUSSCGKSA-N 1 3 320.389 2.301 20 0 DEADHO COc1cccc(NC(=O)C[C@@H](C)N[C@@H](C[NH3+])CC(C)C)c1 ZINC000414830749 404743417 /nfs/dbraw/zinc/74/34/17/404743417.db2.gz BNSCNBWOIDSARR-UKRRQHHQSA-N 1 3 307.438 2.375 20 0 DEADHO C[C@H](CNC(=O)[C@H](C)N1CCCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000357819527 404744188 /nfs/dbraw/zinc/74/41/88/404744188.db2.gz DBAJZOLSNWTVMF-ZACQAIPSSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](CNC(=O)[C@H](C)N1CCCCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000357819527 404744189 /nfs/dbraw/zinc/74/41/89/404744189.db2.gz DBAJZOLSNWTVMF-ZACQAIPSSA-N 1 3 309.498 2.488 20 0 DEADHO NC1(C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)CCC1 ZINC000414872781 404753840 /nfs/dbraw/zinc/75/38/40/404753840.db2.gz GCYPVCFSBPOIRY-UHFFFAOYSA-N 1 3 305.441 2.304 20 0 DEADHO CCC(CC)(C[NH3+])NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000414876406 404754946 /nfs/dbraw/zinc/75/49/46/404754946.db2.gz DIFIRWDGJSBTQV-UHFFFAOYSA-N 1 3 322.453 2.266 20 0 DEADHO Fc1ccc(CNCCN2CC[NH2+]CC2)c(Cl)c1Cl ZINC000414887400 404758905 /nfs/dbraw/zinc/75/89/05/404758905.db2.gz RBNUKDVLJZVFED-UHFFFAOYSA-N 1 3 306.212 2.127 20 0 DEADHO CC(C)N1CCc2nc(CNCC3(C)CC[NH2+]CC3)sc2C1 ZINC000414905255 404763014 /nfs/dbraw/zinc/76/30/14/404763014.db2.gz OFZXYNRUXLOZTQ-UHFFFAOYSA-N 1 3 322.522 2.389 20 0 DEADHO C[C@@H](Cn1cc(Br)cn1)NC[C@]1(C)CCC[NH2+]C1 ZINC000414905071 404763163 /nfs/dbraw/zinc/76/31/63/404763163.db2.gz LCEAVIJCWJBCHB-WCQYABFASA-N 1 3 315.259 2.013 20 0 DEADHO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414905071 404763166 /nfs/dbraw/zinc/76/31/66/404763166.db2.gz LCEAVIJCWJBCHB-WCQYABFASA-N 1 3 315.259 2.013 20 0 DEADHO C[C@@H](Cn1cc(Br)cn1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414905068 404763258 /nfs/dbraw/zinc/76/32/58/404763258.db2.gz LCEAVIJCWJBCHB-AAEUAGOBSA-N 1 3 315.259 2.013 20 0 DEADHO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414905068 404763260 /nfs/dbraw/zinc/76/32/60/404763260.db2.gz LCEAVIJCWJBCHB-AAEUAGOBSA-N 1 3 315.259 2.013 20 0 DEADHO [NH3+]CCCCNCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000414914496 404765112 /nfs/dbraw/zinc/76/51/12/404765112.db2.gz XKFLAUCKXAWCHX-UHFFFAOYSA-N 1 3 314.220 2.403 20 0 DEADHO CC1(C)CCCN[C@@H]1C[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000414935032 404769744 /nfs/dbraw/zinc/76/97/44/404769744.db2.gz VVHONYHRHCNWHD-GOSISDBHSA-N 1 3 316.493 2.414 20 0 DEADHO CC1(C)CCC[NH2+][C@@H]1CNC1CCN(Cc2ccncc2)CC1 ZINC000414935032 404769746 /nfs/dbraw/zinc/76/97/46/404769746.db2.gz VVHONYHRHCNWHD-GOSISDBHSA-N 1 3 316.493 2.414 20 0 DEADHO COc1ccccc1CN1CCN(C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414695135 404710529 /nfs/dbraw/zinc/71/05/29/404710529.db2.gz ODPSKYJNACEGTN-IRXDYDNUSA-N 1 3 317.477 2.201 20 0 DEADHO CC1(C)CCC[NH2+][C@H]1CNC1CCN(c2ccccn2)CC1 ZINC000414938106 404770074 /nfs/dbraw/zinc/77/00/74/404770074.db2.gz YFFKYNIBJSRYST-INIZCTEOSA-N 1 3 302.466 2.418 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CCCC1CCOCC1 ZINC000375067946 404716536 /nfs/dbraw/zinc/71/65/36/404716536.db2.gz FZYKXEBPZUZCAL-FGTMMUONSA-N 1 3 310.482 2.377 20 0 DEADHO CC1(C)CCC[NH2+][C@@H]1CNC1CCN(c2ccccn2)CC1 ZINC000414938108 404770402 /nfs/dbraw/zinc/77/04/02/404770402.db2.gz YFFKYNIBJSRYST-MRXNPFEDSA-N 1 3 302.466 2.418 20 0 DEADHO C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCN2C2CCCC2)CC1 ZINC000356976701 404723447 /nfs/dbraw/zinc/72/34/47/404723447.db2.gz JBIUBSCLEMOCHI-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO COc1ccc2c(c1OC)CCN(C[C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC000414751309 404724243 /nfs/dbraw/zinc/72/42/43/404724243.db2.gz AEODGCDQHVCGJD-ZIAGYGMSSA-N 1 3 304.434 2.450 20 0 DEADHO CC(=O)NCCN(Cc1ccsc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414767984 404727929 /nfs/dbraw/zinc/72/79/29/404727929.db2.gz ULOWIXYABWRUOO-DZGCQCFKSA-N 1 3 309.479 2.074 20 0 DEADHO CCN1CCN(c2ccccc2CN[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414961844 404777017 /nfs/dbraw/zinc/77/70/17/404777017.db2.gz ZFDPFVMVKULCEL-FUHWJXTLSA-N 1 3 316.493 2.059 20 0 DEADHO O=C1CC[C@@H](NCc2ccccc2Cl)[C@H](C2CC[NH2+]CC2)N1 ZINC000414992121 404783481 /nfs/dbraw/zinc/78/34/81/404783481.db2.gz RFWYMYADKKPULJ-WBVHZDCISA-N 1 3 321.852 2.076 20 0 DEADHO [NH3+]C[C@@H]1CC[C@@H](NCc2cn(-c3ccc(F)cc3Cl)nn2)C1 ZINC000415048708 404795475 /nfs/dbraw/zinc/79/54/75/404795475.db2.gz XFMVKGWQWCSBTP-ZYHUDNBSSA-N 1 3 323.803 2.277 20 0 DEADHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000415090022 404804804 /nfs/dbraw/zinc/80/48/04/404804804.db2.gz ZOIDFPBTRMNNBH-VNQPRFMTSA-N 1 3 301.434 2.192 20 0 DEADHO O=C(c1ccoc1)N1CCC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000359984848 404811626 /nfs/dbraw/zinc/81/16/26/404811626.db2.gz CWCZKJSYKDYRJL-IAGOWNOFSA-N 1 3 317.433 2.101 20 0 DEADHO O=C(c1ccoc1)N1CCC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000359984848 404811630 /nfs/dbraw/zinc/81/16/30/404811630.db2.gz CWCZKJSYKDYRJL-IAGOWNOFSA-N 1 3 317.433 2.101 20 0 DEADHO O=C(c1ccoc1)N1CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000359984848 404811631 /nfs/dbraw/zinc/81/16/31/404811631.db2.gz CWCZKJSYKDYRJL-IAGOWNOFSA-N 1 3 317.433 2.101 20 0 DEADHO [NH3+]C1(CNCc2ccccn2)CCN(Cc2ccccc2)CC1 ZINC000415135060 404815669 /nfs/dbraw/zinc/81/56/69/404815669.db2.gz PMPZETRELLZCIW-UHFFFAOYSA-N 1 3 310.445 2.165 20 0 DEADHO Cc1ccc(-c2ncc(CN3CCC(O)(C[NH3+])CC3)s2)cc1 ZINC000415138627 404817274 /nfs/dbraw/zinc/81/72/74/404817274.db2.gz HPKKKGRYPYULHX-UHFFFAOYSA-N 1 3 317.458 2.404 20 0 DEADHO CC[C@]1(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)CC[NH2+]C1 ZINC000360466548 404828095 /nfs/dbraw/zinc/82/80/95/404828095.db2.gz MIJVZAQFEMKVAZ-AEFFLSMTSA-N 1 3 303.450 2.316 20 0 DEADHO O[C@@H]1CCN(Cc2cccc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2)C1 ZINC000361042700 404891609 /nfs/dbraw/zinc/89/16/09/404891609.db2.gz CASXWZPQDBKEQT-CEXWTWQISA-N 1 3 315.461 2.292 20 0 DEADHO O[C@@H]1CCN(Cc2cccc(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)c2)C1 ZINC000361042700 404891612 /nfs/dbraw/zinc/89/16/12/404891612.db2.gz CASXWZPQDBKEQT-CEXWTWQISA-N 1 3 315.461 2.292 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000416897728 404955086 /nfs/dbraw/zinc/95/50/86/404955086.db2.gz XWSAVLNBTDEFAI-IRXDYDNUSA-N 1 3 318.465 2.065 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000423977930 404956552 /nfs/dbraw/zinc/95/65/52/404956552.db2.gz WGDVUPOPTBTFHD-INMHGKMJSA-N 1 3 303.450 2.456 20 0 DEADHO C[C@@H]1CC[C@@H]([NH2+]CC(=O)NCCN2CCCCCC2)C[C@@H]1C ZINC000353669119 404911386 /nfs/dbraw/zinc/91/13/86/404911386.db2.gz BMKFWTOSDYKJPY-IXDOHACOSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@@H](CC(=O)Nc1ccc2c(c1)CNCCO2)[C@@H]1CCC[NH2+]C1 ZINC000361093892 404913111 /nfs/dbraw/zinc/91/31/11/404913111.db2.gz DEHSQASUPHTGBO-UONOGXRCSA-N 1 3 317.433 2.133 20 0 DEADHO C[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)[C@H](C[NH3+])C1 ZINC000416806504 404919057 /nfs/dbraw/zinc/91/90/57/404919057.db2.gz MIKAQMPZRZHGPT-HYVNUMGLSA-N 1 3 318.465 2.058 20 0 DEADHO CCC([NH3+])(CC)CNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000416813597 404921913 /nfs/dbraw/zinc/92/19/13/404921913.db2.gz USHLDBMSCRTUCE-OAHLLOKOSA-N 1 3 306.454 2.106 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](CCO)C2)CC1 ZINC000353689610 404922268 /nfs/dbraw/zinc/92/22/68/404922268.db2.gz QKJMZFKOIGIZFF-QGZVFWFLSA-N 1 3 317.477 2.033 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@H](CCO)C2)CC1 ZINC000353689610 404922274 /nfs/dbraw/zinc/92/22/74/404922274.db2.gz QKJMZFKOIGIZFF-QGZVFWFLSA-N 1 3 317.477 2.033 20 0 DEADHO CC[C@H](CNC(=O)CC[C@@H](C)[NH3+])N1CCc2ccccc2C1 ZINC000434671161 404923180 /nfs/dbraw/zinc/92/31/80/404923180.db2.gz GLFWGTQAWJJULM-RHSMWYFYSA-N 1 3 303.450 2.067 20 0 DEADHO CCN1CCC(NC(=O)N(CCC[NH3+])Cc2ccccc2)CC1 ZINC000416838615 404929105 /nfs/dbraw/zinc/92/91/05/404929105.db2.gz CEGRHRLXVNVHPL-UHFFFAOYSA-N 1 3 318.465 2.031 20 0 DEADHO N[C@@H](CC(=O)NCC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000423921816 404931391 /nfs/dbraw/zinc/93/13/91/404931391.db2.gz YBLMHRFYRTVXNQ-KRWDZBQOSA-N 1 3 301.434 2.067 20 0 DEADHO C[C@H](CCCC[NH3+])NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000416882139 404948887 /nfs/dbraw/zinc/94/88/87/404948887.db2.gz IBRUQOFIGFSXEP-CQSZACIVSA-N 1 3 306.454 2.065 20 0 DEADHO C[C@H]1CCN(C(=O)NCc2ccc(CN(C)C)cc2)[C@@H](C[NH3+])C1 ZINC000416888329 404951456 /nfs/dbraw/zinc/95/14/56/404951456.db2.gz OORYQTBCZJSMBW-WMLDXEAASA-N 1 3 318.465 2.017 20 0 DEADHO C[NH2+]CCC1CCN(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)CC1 ZINC000417015897 405003093 /nfs/dbraw/zinc/00/30/93/405003093.db2.gz NFVRYNBWTSQSSL-HOTGVXAUSA-N 1 3 324.513 2.138 20 0 DEADHO Cc1nccn1CCCCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000367310316 405007472 /nfs/dbraw/zinc/00/74/72/405007472.db2.gz PXNQOBMBUQHWTH-FGTMMUONSA-N 1 3 320.481 2.155 20 0 DEADHO CC(C)n1cncc1CNC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000424140712 405020010 /nfs/dbraw/zinc/02/00/10/405020010.db2.gz BPZRURVSOOCTAA-UHFFFAOYSA-N 1 3 319.497 2.112 20 0 DEADHO CN(C)Cc1cccc(CNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000417063169 405023200 /nfs/dbraw/zinc/02/32/00/405023200.db2.gz HUYHYSLWLCEPHU-DOTOQJQBSA-N 1 3 318.465 2.065 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000379667624 405027600 /nfs/dbraw/zinc/02/76/00/405027600.db2.gz BSWDPLZRQNVQBW-CYGHRXIMSA-N 1 3 315.461 2.011 20 0 DEADHO CN(C)[C@H](CC(=O)NCC1CC[NH+](C)CC1)c1ccccc1 ZINC000416142176 405034001 /nfs/dbraw/zinc/03/40/01/405034001.db2.gz BXJXXLBAQDUBRB-QGZVFWFLSA-N 1 3 303.450 2.137 20 0 DEADHO CCC(CC)[C@H](CNC(=O)N1C[C@H](C)NC[C@H]1C)[NH+]1CCCC1 ZINC000416958082 404976966 /nfs/dbraw/zinc/97/69/66/404976966.db2.gz OPQANGDCXZMHEE-UXLLHSPISA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)COCC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000367251390 404981864 /nfs/dbraw/zinc/98/18/64/404981864.db2.gz NJVHJOBMQGTJOQ-UHFFFAOYSA-N 1 3 311.514 2.009 20 0 DEADHO C[NH2+]Cc1ccc(NC(=O)N2CCCN(C(C)C)CC2)cc1 ZINC000415972485 404989543 /nfs/dbraw/zinc/98/95/43/404989543.db2.gz MJJPMEINJHFLJE-UHFFFAOYSA-N 1 3 304.438 2.354 20 0 DEADHO CN(C)C1(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000416300495 405094242 /nfs/dbraw/zinc/09/42/42/405094242.db2.gz JFCDXFUUWMXYKO-UHFFFAOYSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000389934948 405041009 /nfs/dbraw/zinc/04/10/09/405041009.db2.gz MPPQYXSXOZVXCB-KBAYOESNSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000389909686 405042018 /nfs/dbraw/zinc/04/20/18/405042018.db2.gz IMGUGNUVXBWGHJ-SZVBFZGTSA-N 1 3 315.461 2.155 20 0 DEADHO Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C[C@H](C)CN2CCCC2)c1 ZINC000389969375 405043238 /nfs/dbraw/zinc/04/32/38/405043238.db2.gz RHFYUQHWGDBCKI-ROUUACIJSA-N 1 3 320.477 2.365 20 0 DEADHO N[C@@H]1CCC[C@@H]([NH2+]CCCOCCOCc2ccccc2)C1 ZINC000390673330 405046648 /nfs/dbraw/zinc/04/66/48/405046648.db2.gz UHVVSOJKYNUJLY-QZTJIDSGSA-N 1 3 306.450 2.469 20 0 DEADHO C[C@@H](C1CC1)N(C(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)C1CC1 ZINC000424298026 405061269 /nfs/dbraw/zinc/06/12/69/405061269.db2.gz TUKMTJJYDPYBBB-CABCVRRESA-N 1 3 319.493 2.240 20 0 DEADHO CC(C)[C@H]([NH3+])CNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000417221756 405067065 /nfs/dbraw/zinc/06/70/65/405067065.db2.gz OQZQKTKCKCDFTI-HYVNUMGLSA-N 1 3 318.465 2.104 20 0 DEADHO Cc1ccc([C@H](CNC(=O)NC(C)(C)C[NH3+])N2CCCC2)cc1 ZINC000417353049 405087232 /nfs/dbraw/zinc/08/72/32/405087232.db2.gz HWHHYWJVLYSUJL-INIZCTEOSA-N 1 3 318.465 2.168 20 0 DEADHO Cc1cc(CN)cc(NC(=O)NCCCC[N@@H+](C)C2CC2)c1 ZINC000424420854 405089121 /nfs/dbraw/zinc/08/91/21/405089121.db2.gz WZVOXKDVENDSOQ-UHFFFAOYSA-N 1 3 304.438 2.450 20 0 DEADHO Cc1cc(CN)cc(NC(=O)NCCCC[N@H+](C)C2CC2)c1 ZINC000424420854 405089126 /nfs/dbraw/zinc/08/91/26/405089126.db2.gz WZVOXKDVENDSOQ-UHFFFAOYSA-N 1 3 304.438 2.450 20 0 DEADHO Cc1cc(CN)cc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000424431812 405092928 /nfs/dbraw/zinc/09/29/28/405092928.db2.gz AZFIQYCHZFSIFH-GDBMZVCRSA-N 1 3 302.422 2.202 20 0 DEADHO Cc1cc(CN)cc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000424431812 405092930 /nfs/dbraw/zinc/09/29/30/405092930.db2.gz AZFIQYCHZFSIFH-GDBMZVCRSA-N 1 3 302.422 2.202 20 0 DEADHO CN(C[C@H]1CCCN(C)C1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418453896 405128976 /nfs/dbraw/zinc/12/89/76/405128976.db2.gz ZSXJOXUPHYMKJQ-INIZCTEOSA-N 1 3 324.513 2.282 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000354264985 405131359 /nfs/dbraw/zinc/13/13/59/405131359.db2.gz IVSWHNYCZQNZQV-IXDOHACOSA-N 1 3 309.498 2.345 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000354264985 405131361 /nfs/dbraw/zinc/13/13/61/405131361.db2.gz IVSWHNYCZQNZQV-IXDOHACOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000418353330 405124232 /nfs/dbraw/zinc/12/42/32/405124232.db2.gz NFEUBAHZGZHGNR-XOKHGSTOSA-N 1 3 318.465 2.236 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000418646436 405148081 /nfs/dbraw/zinc/14/80/81/405148081.db2.gz FJOGNRFSYWAUQN-JLJPHGGASA-N 1 3 318.465 2.018 20 0 DEADHO N[C@H]1CCC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000568415203 292340159 /nfs/dbraw/zinc/34/01/59/292340159.db2.gz KYIYDCKWVJKXNX-RDJZCZTQSA-N 1 3 301.434 2.151 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418675607 405162248 /nfs/dbraw/zinc/16/22/48/405162248.db2.gz XYSFXCTXETYTHV-QAQDUYKDSA-N 1 3 324.513 2.269 20 0 DEADHO C[C@@H]1CN(CC2CC[NH+](CC[C@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000437701450 405215557 /nfs/dbraw/zinc/21/55/57/405215557.db2.gz OLVYZRAESSCIKD-NUJGCVRESA-N 1 3 310.482 2.234 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418707677 405175295 /nfs/dbraw/zinc/17/52/95/405175295.db2.gz BWWNZJNFIYJDLB-HZPDHXFCSA-N 1 3 310.486 2.021 20 0 DEADHO COC(=O)CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000368581153 405245172 /nfs/dbraw/zinc/24/51/72/405245172.db2.gz ASAMSWLAUICSLH-IRXDYDNUSA-N 1 3 302.418 2.003 20 0 DEADHO COC(=O)CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000368581153 405245173 /nfs/dbraw/zinc/24/51/73/405245173.db2.gz ASAMSWLAUICSLH-IRXDYDNUSA-N 1 3 302.418 2.003 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000438859522 405256987 /nfs/dbraw/zinc/25/69/87/405256987.db2.gz PNSOQOPHEKHWBZ-YESZJQIVSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000438859522 405256989 /nfs/dbraw/zinc/25/69/89/405256989.db2.gz PNSOQOPHEKHWBZ-YESZJQIVSA-N 1 3 324.513 2.279 20 0 DEADHO COC(=O)c1cc2cc(CN3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)ccc2o1 ZINC000420299718 405310785 /nfs/dbraw/zinc/31/07/85/405310785.db2.gz BLLZJFMEZPMKRT-NWANDNLSSA-N 1 3 314.385 2.389 20 0 DEADHO C[C@@H](C(=O)N(C)C1CCCCC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000420308785 405314056 /nfs/dbraw/zinc/31/40/56/405314056.db2.gz OEIAMADDNLZURE-HNNXBMFYSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)C[C@H](C)N(C)C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420323216 405319589 /nfs/dbraw/zinc/31/95/89/405319589.db2.gz FWNPWHJTPFHICJ-ULQDDVLXSA-N 1 3 309.498 2.201 20 0 DEADHO CCc1ccc(CC[N@@H+]2C[C@H](CN)C3(C2)CCOCC3)cc1 ZINC000420329240 405321426 /nfs/dbraw/zinc/32/14/26/405321426.db2.gz ODHIISDUXNWMRO-SFHVURJKSA-N 1 3 302.462 2.479 20 0 DEADHO CCc1ccc(CC[N@H+]2C[C@H](CN)C3(C2)CCOCC3)cc1 ZINC000420329240 405321427 /nfs/dbraw/zinc/32/14/27/405321427.db2.gz ODHIISDUXNWMRO-SFHVURJKSA-N 1 3 302.462 2.479 20 0 DEADHO COC(=O)c1cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C)s1 ZINC000420340467 405325603 /nfs/dbraw/zinc/32/56/03/405325603.db2.gz PKOULRQVVMQLAZ-BETUJISGSA-N 1 3 308.447 2.275 20 0 DEADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420346262 405328132 /nfs/dbraw/zinc/32/81/32/405328132.db2.gz XYETVKZRRPATDR-WNRNVDISSA-N 1 3 321.509 2.488 20 0 DEADHO CC1(C)C[NH2+]CC[C@@H]1NCCC(=O)NCc1ccccc1Cl ZINC000420361781 405331205 /nfs/dbraw/zinc/33/12/05/405331205.db2.gz MSOTZOBYFCTCCG-HNNXBMFYSA-N 1 3 323.868 2.324 20 0 DEADHO CC1(C)CNCC[C@@H]1[NH2+]CCC(=O)NCc1ccccc1Cl ZINC000420361781 405331209 /nfs/dbraw/zinc/33/12/09/405331209.db2.gz MSOTZOBYFCTCCG-HNNXBMFYSA-N 1 3 323.868 2.324 20 0 DEADHO CN(CC[C@@H]1CCC[NH2+]C1)Cc1cn(C)nc1C(F)(F)F ZINC000420376340 405337881 /nfs/dbraw/zinc/33/78/81/405337881.db2.gz QLYKGQZOMWYEBC-NSHDSACASA-N 1 3 304.360 2.260 20 0 DEADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(CCOc2ccccc2)CC1 ZINC000420382967 405339061 /nfs/dbraw/zinc/33/90/61/405339061.db2.gz QCHUKXHWXOMXKQ-ROUUACIJSA-N 1 3 304.434 2.284 20 0 DEADHO CC1(C)CCCN(CCNC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000444876294 405343221 /nfs/dbraw/zinc/34/32/21/405343221.db2.gz MXMMMLBTIREZRS-UHFFFAOYSA-N 1 3 324.513 2.284 20 0 DEADHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000439788367 405292751 /nfs/dbraw/zinc/29/27/51/405292751.db2.gz IEHSJRRKWUNBDR-DJIMGWMZSA-N 1 3 307.482 2.238 20 0 DEADHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000439788367 405292752 /nfs/dbraw/zinc/29/27/52/405292752.db2.gz IEHSJRRKWUNBDR-DJIMGWMZSA-N 1 3 307.482 2.238 20 0 DEADHO C[N@H+](CCNC(=O)[C@@H]1CCCN1C1CCCC1)C1CCCC1 ZINC000439829041 405293153 /nfs/dbraw/zinc/29/31/53/405293153.db2.gz LBGTZUGZVUGMCW-KRWDZBQOSA-N 1 3 307.482 2.384 20 0 DEADHO C[N@@H+](CCNC(=O)[C@@H]1CCCN1C1CCCC1)C1CCCC1 ZINC000439829041 405293156 /nfs/dbraw/zinc/29/31/56/405293156.db2.gz LBGTZUGZVUGMCW-KRWDZBQOSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@H]1[C@@H](NC(=O)Nc2ccccc2CC[NH+](C)C)CCCN1C ZINC000446569541 405384796 /nfs/dbraw/zinc/38/47/96/405384796.db2.gz PBVQVTFDABCMHE-HOCLYGCPSA-N 1 3 318.465 2.395 20 0 DEADHO C[C@@H]1CCC[C@](CNC(=O)N(C)C[C@H]2CCCN2C)([NH+](C)C)C1 ZINC000420795023 405385653 /nfs/dbraw/zinc/38/56/53/405385653.db2.gz DFUSUTJKYPICJA-NUJGCVRESA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)[C@H](COCc1ccccc1)NC[C@H](O)C[NH+]1CCCC1 ZINC000446753059 405392006 /nfs/dbraw/zinc/39/20/06/405392006.db2.gz RGPNACNJNHFGMQ-OALUTQOASA-N 1 3 320.477 2.274 20 0 DEADHO CN(C)C[C@@H](NC(=O)C[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000427301925 405398959 /nfs/dbraw/zinc/39/89/59/405398959.db2.gz ZLOJTCAIUVJOCZ-DOTOQJQBSA-N 1 3 303.450 2.185 20 0 DEADHO CNC(=O)[C@H]1CC[N@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000420959396 405415362 /nfs/dbraw/zinc/41/53/62/405415362.db2.gz DSNYPPUJCXSFKR-SFHVURJKSA-N 1 3 315.461 2.240 20 0 DEADHO CNC(=O)[C@H]1CC[N@@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000420959396 405415365 /nfs/dbraw/zinc/41/53/65/405415365.db2.gz DSNYPPUJCXSFKR-SFHVURJKSA-N 1 3 315.461 2.240 20 0 DEADHO CNC(=O)[C@H]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000420959396 405415366 /nfs/dbraw/zinc/41/53/66/405415366.db2.gz DSNYPPUJCXSFKR-SFHVURJKSA-N 1 3 315.461 2.240 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H](C3CCCC3)C2)CC1 ZINC000420959132 405415376 /nfs/dbraw/zinc/41/53/76/405415376.db2.gz DGKIANFZBOWMFR-QGZVFWFLSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000454773660 405376990 /nfs/dbraw/zinc/37/69/90/405376990.db2.gz DIIAOSAXPXCWBZ-IXDOHACOSA-N 1 3 324.513 2.279 20 0 DEADHO CCc1nc(CCNC2CC[NH+](CC(C)(C)O)CC2)cs1 ZINC000638482003 405497034 /nfs/dbraw/zinc/49/70/34/405497034.db2.gz WGWRXENRJIEIQT-UHFFFAOYSA-N 1 3 311.495 2.073 20 0 DEADHO C[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)N(C)C ZINC000455931004 405462427 /nfs/dbraw/zinc/46/24/27/405462427.db2.gz PBMXVDHIKHTKKC-WBMJQRKESA-N 1 3 304.438 2.307 20 0 DEADHO OC1CC(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000528019932 405479999 /nfs/dbraw/zinc/47/99/99/405479999.db2.gz VQCMUCVARJVDNM-NXANPBQISA-N 1 3 300.446 2.258 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@@H]1CCC[N@H+](C)C1)N1CCCCC1 ZINC000458175263 405487116 /nfs/dbraw/zinc/48/71/16/405487116.db2.gz SRSQQGDMQWJCCE-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)N1CCCCC1 ZINC000458175263 405487125 /nfs/dbraw/zinc/48/71/25/405487125.db2.gz SRSQQGDMQWJCCE-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO Cn1cc(CN2CCC3(CC[NH2+]C3)CC2)c(-c2ccncc2)n1 ZINC000430921831 405527127 /nfs/dbraw/zinc/52/71/27/405527127.db2.gz ZYFWSHFJAYLUHC-UHFFFAOYSA-N 1 3 311.433 2.058 20 0 DEADHO COc1cc(OC)c(OC)cc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000430936975 405535310 /nfs/dbraw/zinc/53/53/10/405535310.db2.gz YHQABRHUSZMJOA-UHFFFAOYSA-N 1 3 320.433 2.288 20 0 DEADHO C[C@H]1CN(CCC(=O)NCc2ccccc2Cl)CC[C@H]1[NH3+] ZINC000430940150 405537389 /nfs/dbraw/zinc/53/73/89/405537389.db2.gz OANXNZRXLBSVRI-SWLSCSKDSA-N 1 3 309.841 2.015 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2CCCc3cccc(CN)c32)CC[N@@H+]1C ZINC000638542600 405537889 /nfs/dbraw/zinc/53/78/89/405537889.db2.gz CKHFFBXPJLEIKA-JKSUJKDBSA-N 1 3 301.434 2.155 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2CCCc3cccc(CN)c32)CC[N@H+]1C ZINC000638542600 405537891 /nfs/dbraw/zinc/53/78/91/405537891.db2.gz CKHFFBXPJLEIKA-JKSUJKDBSA-N 1 3 301.434 2.155 20 0 DEADHO C[C@H](CC(=O)N1CCCc2cccc(CN)c21)C1CC[NH2+]CC1 ZINC000638551175 405542462 /nfs/dbraw/zinc/54/24/62/405542462.db2.gz UUBXNIPALKTRKN-CQSZACIVSA-N 1 3 315.461 2.450 20 0 DEADHO CCN1CC[C@H](NC(=O)N2CCC(CC)([NH+]3CCCC3)CC2)C1 ZINC000633313120 405565908 /nfs/dbraw/zinc/56/59/08/405565908.db2.gz SXEWTOFYNQGZFV-INIZCTEOSA-N 1 3 322.497 2.131 20 0 DEADHO Cc1nn(-c2ccncc2)cc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000430956594 405544634 /nfs/dbraw/zinc/54/46/34/405544634.db2.gz PIDIKKUHDPUSMW-UHFFFAOYSA-N 1 3 311.433 2.151 20 0 DEADHO Cn1c2ccc(CN3CCC4(CC[NH2+]C4)CC3)cc2sc1=O ZINC000430959019 405547426 /nfs/dbraw/zinc/54/74/26/405547426.db2.gz VMOSQKFVGWAMIT-UHFFFAOYSA-N 1 3 317.458 2.176 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000458816843 405607333 /nfs/dbraw/zinc/60/73/33/405607333.db2.gz SFXNPDMOEVYWSL-CVEARBPZSA-N 1 3 312.502 2.231 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000458816843 405607341 /nfs/dbraw/zinc/60/73/41/405607341.db2.gz SFXNPDMOEVYWSL-CVEARBPZSA-N 1 3 312.502 2.231 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000458817474 405607904 /nfs/dbraw/zinc/60/79/04/405607904.db2.gz QEWJUAUZAQIXRA-WMZOPIPTSA-N 1 3 324.513 2.234 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000458817474 405607909 /nfs/dbraw/zinc/60/79/09/405607909.db2.gz QEWJUAUZAQIXRA-WMZOPIPTSA-N 1 3 324.513 2.234 20 0 DEADHO C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000449549318 405608925 /nfs/dbraw/zinc/60/89/25/405608925.db2.gz WRAAVHBOYAHHCM-CQSZACIVSA-N 1 3 305.422 2.131 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000431065300 405569520 /nfs/dbraw/zinc/56/95/20/405569520.db2.gz NGMYVSGZTXHEMQ-BHYGNILZSA-N 1 3 301.434 2.080 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000431062780 405570648 /nfs/dbraw/zinc/57/06/48/405570648.db2.gz UADUBLNNCKYHQV-DJIMGWMZSA-N 1 3 301.434 2.080 20 0 DEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCNC(=O)/C=C/c1ccccc1 ZINC000493824795 405576818 /nfs/dbraw/zinc/57/68/18/405576818.db2.gz ZXCTVVRJGSYVGT-IRZMVBRHSA-N 1 3 315.461 2.184 20 0 DEADHO CN(C[C@@H]1CCCN1C)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000421702287 405597298 /nfs/dbraw/zinc/59/72/98/405597298.db2.gz JUBGQGWRGAVRBG-SFHVURJKSA-N 1 3 315.461 2.449 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NC(C)(C)CC[NH3+])CN1Cc1ccccc1 ZINC000422606581 405672906 /nfs/dbraw/zinc/67/29/06/405672906.db2.gz SMHYDAADAPZCMU-GDBMZVCRSA-N 1 3 318.465 2.076 20 0 DEADHO C[C@@H](CN[C@H]1CC[NH2+]CC[C@H]1C)N1CCc2sccc2C1 ZINC000422713549 405675874 /nfs/dbraw/zinc/67/58/74/405675874.db2.gz KAEPWQGKJFYOPM-YCPHGPKFSA-N 1 3 307.507 2.472 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC000457100964 405699257 /nfs/dbraw/zinc/69/92/57/405699257.db2.gz XFIGZELKQYLVIU-MRXNPFEDSA-N 1 3 303.450 2.303 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC000457100964 405699265 /nfs/dbraw/zinc/69/92/65/405699265.db2.gz XFIGZELKQYLVIU-MRXNPFEDSA-N 1 3 303.450 2.303 20 0 DEADHO CC(=O)NCCc1ccc([C@H](C)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000423209350 405722903 /nfs/dbraw/zinc/72/29/03/405722903.db2.gz DZXMQJIURQOGIG-KHYOSLBOSA-N 1 3 317.477 2.404 20 0 DEADHO CCC1([NH+]2CCCC2)CCN(C(=O)[C@H]2C[C@@H](C)CCN2)CC1 ZINC000638862027 405723514 /nfs/dbraw/zinc/72/35/14/405723514.db2.gz JWQOOVJTAJAVSJ-JKSUJKDBSA-N 1 3 307.482 2.242 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H](C)N(C)C ZINC000459049147 405715214 /nfs/dbraw/zinc/71/52/14/405715214.db2.gz YSMDGBXQIVDLGA-JYJNAYRXSA-N 1 3 312.502 2.136 20 0 DEADHO Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@H](N)C(C)C)cc1 ZINC000423277118 405745701 /nfs/dbraw/zinc/74/57/01/405745701.db2.gz PGCFGXGXLFGBOF-IRXDYDNUSA-N 1 3 301.438 2.291 20 0 DEADHO CN(C)CCOc1cc(C[NH2+]CC2CCSCC2)ccn1 ZINC000638900423 405749199 /nfs/dbraw/zinc/74/91/99/405749199.db2.gz GQMNCXCOQVKTLE-UHFFFAOYSA-N 1 3 309.479 2.255 20 0 DEADHO CCN1CCC(n2nccc2NC(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000494702583 405751152 /nfs/dbraw/zinc/75/11/52/405751152.db2.gz JMKPBXGHIOCZKQ-AWEZNQCLSA-N 1 3 319.453 2.011 20 0 DEADHO CCN(C)c1ccc(C[NH2+]CCCN2CCCO[C@H](C)C2)cn1 ZINC000432368434 405754051 /nfs/dbraw/zinc/75/40/51/405754051.db2.gz PUYWXEOIPXJAMB-MRXNPFEDSA-N 1 3 320.481 2.128 20 0 DEADHO COCC1(CN[C@@H](C)c2cc(OC)ccc2OC)CC[NH2+]CC1 ZINC000423379093 405784107 /nfs/dbraw/zinc/78/41/07/405784107.db2.gz CTQPIGVCGNKKEV-AWEZNQCLSA-N 1 3 322.449 2.371 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)[C@@H](N)c1ccccc1)[N@H+](C)C1CC1 ZINC000423385548 405784911 /nfs/dbraw/zinc/78/49/11/405784911.db2.gz RAGIALRHMVZMKM-BBRMVZONSA-N 1 3 303.450 2.312 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)[C@@H](N)c1ccccc1)[N@@H+](C)C1CC1 ZINC000423385548 405784920 /nfs/dbraw/zinc/78/49/20/405784920.db2.gz RAGIALRHMVZMKM-BBRMVZONSA-N 1 3 303.450 2.312 20 0 DEADHO CC(=O)NCCc1ccc([C@H](C)[NH2+][C@H]2CCCN[C@@H]2C)cc1 ZINC000423385519 405785174 /nfs/dbraw/zinc/78/51/74/405785174.db2.gz QWTKIGAIIMIAHV-IYOUNJFTSA-N 1 3 303.450 2.156 20 0 DEADHO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000494948382 405786183 /nfs/dbraw/zinc/78/61/83/405786183.db2.gz BPBIXSKIKAJNLC-HOCLYGCPSA-N 1 3 323.481 2.483 20 0 DEADHO C[NH+](C)[C@H]1CCCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000423410302 405795958 /nfs/dbraw/zinc/79/59/58/405795958.db2.gz ZVRDLJIJRXOILE-HOTGVXAUSA-N 1 3 303.450 2.265 20 0 DEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2C[C@H](C)CCN2)C1 ZINC000423413103 405796565 /nfs/dbraw/zinc/79/65/65/405796565.db2.gz YCYFLPKNQMWOTF-OAGGEKHMSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2C[C@H](C)CCN2)C1 ZINC000423413103 405796569 /nfs/dbraw/zinc/79/65/69/405796569.db2.gz YCYFLPKNQMWOTF-OAGGEKHMSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H](C)CCN2)CC1 ZINC000423428667 405803913 /nfs/dbraw/zinc/80/39/13/405803913.db2.gz KPDPRBDCJRLIEM-RDJZCZTQSA-N 1 3 309.498 2.249 20 0 DEADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H](N)CC2CCCCC2)C1 ZINC000423435025 405804701 /nfs/dbraw/zinc/80/47/01/405804701.db2.gz OJZPOTAYLXROKZ-MSOLQXFVSA-N 1 3 321.509 2.474 20 0 DEADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H](N)CC2CCCCC2)C1 ZINC000423435025 405804710 /nfs/dbraw/zinc/80/47/10/405804710.db2.gz OJZPOTAYLXROKZ-MSOLQXFVSA-N 1 3 321.509 2.474 20 0 DEADHO C[NH+](C)C1CCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)CC1 ZINC000423448846 405808955 /nfs/dbraw/zinc/80/89/55/405808955.db2.gz FQLVUFBXLUAOJT-MRXNPFEDSA-N 1 3 303.450 2.265 20 0 DEADHO CC[C@H](N)C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000423462103 405813703 /nfs/dbraw/zinc/81/37/03/405813703.db2.gz KHMNMORGZMMLRT-ZFWWWQNUSA-N 1 3 302.422 2.387 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)C[C@@H]([NH3+])C(C)C)C2)cc1 ZINC000639006104 405818802 /nfs/dbraw/zinc/81/88/02/405818802.db2.gz SGEISNGMEMGHSG-IAGOWNOFSA-N 1 3 303.450 2.059 20 0 DEADHO C[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(OCc2nccn2C)cc1 ZINC000423328772 405764094 /nfs/dbraw/zinc/76/40/94/405764094.db2.gz SHDLNBZBONEXRY-CXAGYDPISA-N 1 3 314.433 2.387 20 0 DEADHO CCN1CCC([NH2+][C@H]2CNCC[C@@H]2c2ccc(OC)cc2)CC1 ZINC000423327875 405764169 /nfs/dbraw/zinc/76/41/69/405764169.db2.gz KMDUIASVOWSHTJ-MOPGFXCFSA-N 1 3 317.477 2.215 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@H]2[NH2+]CCCC2(C)C)N(C)C)cc1 ZINC000423348442 405770684 /nfs/dbraw/zinc/77/06/84/405770684.db2.gz UBFFLMZQUCNFGQ-IAGOWNOFSA-N 1 3 317.477 2.492 20 0 DEADHO C[C@H](NCC[C@H]1CCC[NH2+]1)c1ccc(OCCN(C)C)cc1 ZINC000423352717 405773469 /nfs/dbraw/zinc/77/34/69/405773469.db2.gz AIWDBHCPFUDEGM-DOTOQJQBSA-N 1 3 305.466 2.420 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423607150 405874186 /nfs/dbraw/zinc/87/41/86/405874186.db2.gz IXRGFODXAYOTLG-RBUKOAKNSA-N 1 3 323.440 2.315 20 0 DEADHO CN(C)[C@@H](CNC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000459374254 405878019 /nfs/dbraw/zinc/87/80/19/405878019.db2.gz JEJBMPDTENRUCO-LJQANCHMSA-N 1 3 301.478 2.376 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnc(C3CC3)nc2)C[C@H](C)O1 ZINC000459381682 405880882 /nfs/dbraw/zinc/88/08/82/405880882.db2.gz DJBWNWXCNBRDDL-GASCZTMLSA-N 1 3 318.465 2.333 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561089982 405888666 /nfs/dbraw/zinc/88/86/66/405888666.db2.gz OSZYHNXMRHTBGE-ROUUACIJSA-N 1 3 315.461 2.109 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561089982 405888675 /nfs/dbraw/zinc/88/86/75/405888675.db2.gz OSZYHNXMRHTBGE-ROUUACIJSA-N 1 3 315.461 2.109 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC000636327920 405896066 /nfs/dbraw/zinc/89/60/66/405896066.db2.gz BEHYHFOGFDYVHE-ZWKOTPCHSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC000636327920 405896074 /nfs/dbraw/zinc/89/60/74/405896074.db2.gz BEHYHFOGFDYVHE-ZWKOTPCHSA-N 1 3 315.461 2.027 20 0 DEADHO CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@@H]1CCCN1C1CC1 ZINC000495182936 405832106 /nfs/dbraw/zinc/83/21/06/405832106.db2.gz ISRKWVQKQIOMAT-KRWDZBQOSA-N 1 3 307.482 2.336 20 0 DEADHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H]1CCCN1C1CC1 ZINC000495182936 405832111 /nfs/dbraw/zinc/83/21/11/405832111.db2.gz ISRKWVQKQIOMAT-KRWDZBQOSA-N 1 3 307.482 2.336 20 0 DEADHO Cc1csc([C@@H](C)CNC2CC[NH+](CC(C)(C)O)CC2)n1 ZINC000639059410 405852996 /nfs/dbraw/zinc/85/29/96/405852996.db2.gz KJABGRYMYDQVTN-LBPRGKRZSA-N 1 3 311.495 2.380 20 0 DEADHO O=C(C[C@H]1CCC[NH2+]CC1)N1CCN(C2CCCCC2)CC1 ZINC000423712758 405924622 /nfs/dbraw/zinc/92/46/22/405924622.db2.gz OSNLRKBKGDAZKF-INIZCTEOSA-N 1 3 307.482 2.243 20 0 DEADHO CC(C)[C@@H](CNC(=O)NC[C@H](C)N(C)C)[NH+]1CCCCCC1 ZINC000457633818 405928470 /nfs/dbraw/zinc/92/84/70/405928470.db2.gz XTSLFJQLUIEAAG-JKSUJKDBSA-N 1 3 312.502 2.136 20 0 DEADHO CN(C)[C@H]1CCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000423742139 405939791 /nfs/dbraw/zinc/93/97/91/405939791.db2.gz KYWXKCBFFIIWKF-KRWDZBQOSA-N 1 3 315.461 2.005 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C[C@H]1CCC[NH2+]1 ZINC000423745960 405943011 /nfs/dbraw/zinc/94/30/11/405943011.db2.gz QLDMIBLXFLUKMJ-QGZVFWFLSA-N 1 3 303.450 2.239 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000423773968 405957296 /nfs/dbraw/zinc/95/72/96/405957296.db2.gz KFZFADJXCMSIQI-MXSMSXNCSA-N 1 3 315.461 2.011 20 0 DEADHO CC(C)[NH+]1CCC(O)(CNCc2cnc(C3CC3)s2)CC1 ZINC000531883741 406018948 /nfs/dbraw/zinc/01/89/48/406018948.db2.gz GYVDPCQDHIWLOI-UHFFFAOYSA-N 1 3 309.479 2.345 20 0 DEADHO COCCOc1ccc(C[N@H+](C)C[C@H]2CCN(C)C2)cc1OC ZINC000434179796 406027990 /nfs/dbraw/zinc/02/79/90/406027990.db2.gz NODYUGRLLQSJCX-INIZCTEOSA-N 1 3 322.449 2.104 20 0 DEADHO COCCOc1ccc(C[N@@H+](C)C[C@H]2CCN(C)C2)cc1OC ZINC000434179796 406027996 /nfs/dbraw/zinc/02/79/96/406027996.db2.gz NODYUGRLLQSJCX-INIZCTEOSA-N 1 3 322.449 2.104 20 0 DEADHO NC[C@H](C(=O)NC1CC([NH+]2CCCCC2)C1)c1ccc(F)cc1 ZINC000423797162 405973466 /nfs/dbraw/zinc/97/34/66/405973466.db2.gz ICLMURGITODVLH-JCYILVPMSA-N 1 3 319.424 2.001 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCN(C2CCCC2)CC1 ZINC000461801291 406082641 /nfs/dbraw/zinc/08/26/41/406082641.db2.gz LUXMOANDIMLZPX-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCN(C2CCCC2)CC1 ZINC000461801291 406082646 /nfs/dbraw/zinc/08/26/46/406082646.db2.gz LUXMOANDIMLZPX-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO O=C(Oc1ccccc1)N1CCC[C@@H]([NH2+]C2CCNCC2)CC1 ZINC000497275781 406044023 /nfs/dbraw/zinc/04/40/23/406044023.db2.gz MANYTJADLXWPTF-OAHLLOKOSA-N 1 3 317.433 2.382 20 0 DEADHO CC[NH+](CC)CCO[C@@H]1CCN(CCc2cccc(C)n2)C1 ZINC000567762182 406135701 /nfs/dbraw/zinc/13/57/01/406135701.db2.gz ZURYZDLEHOLBLJ-GOSISDBHSA-N 1 3 305.466 2.365 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC000634458908 406139294 /nfs/dbraw/zinc/13/92/94/406139294.db2.gz GYWVMHZZGZNZSE-BPQIPLTHSA-N 1 3 315.461 2.026 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC000634458908 406139296 /nfs/dbraw/zinc/13/92/96/406139296.db2.gz GYWVMHZZGZNZSE-BPQIPLTHSA-N 1 3 315.461 2.026 20 0 DEADHO C[C@@H](NC(=O)NC[C@H]1CCCN1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000637035824 406157176 /nfs/dbraw/zinc/15/71/76/406157176.db2.gz XRSQEIDHUBIUHX-HLLBOEOZSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](NC(=O)NC[C@H]1CCCN1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000637035824 406157180 /nfs/dbraw/zinc/15/71/80/406157180.db2.gz XRSQEIDHUBIUHX-HLLBOEOZSA-N 1 3 322.497 2.033 20 0 DEADHO O[C@]1(CNCCc2ccco2)CC[N@H+](Cc2ccccc2)C1 ZINC000634698531 406230993 /nfs/dbraw/zinc/23/09/93/406230993.db2.gz OSBUNVFQLBWXKB-SFHVURJKSA-N 1 3 300.402 2.049 20 0 DEADHO O[C@]1(CNCCc2ccco2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634698531 406230996 /nfs/dbraw/zinc/23/09/96/406230996.db2.gz OSBUNVFQLBWXKB-SFHVURJKSA-N 1 3 300.402 2.049 20 0 DEADHO CN(C)c1ccc(CN2CCCN(c3cc[nH+]cc3)CC2)cn1 ZINC000639683895 406204561 /nfs/dbraw/zinc/20/45/61/406204561.db2.gz NQUZJDSMLZWEAO-UHFFFAOYSA-N 1 3 311.433 2.255 20 0 DEADHO CCC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000519529874 406206158 /nfs/dbraw/zinc/20/61/58/406206158.db2.gz YRXRPBAMVYQVGM-UHFFFAOYSA-N 1 3 302.422 2.286 20 0 DEADHO NC(=O)[C@H]1CCCN(CCC[NH2+]Cc2cc(Cl)cs2)C1 ZINC000487304855 406222237 /nfs/dbraw/zinc/22/22/37/406222237.db2.gz AYZYFALVONYZLV-NSHDSACASA-N 1 3 315.870 2.079 20 0 DEADHO CC1(C)C[C@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)CCO1 ZINC000634683072 406224560 /nfs/dbraw/zinc/22/45/60/406224560.db2.gz IYFFVQSMXSOCBG-MSOLQXFVSA-N 1 3 318.461 2.300 20 0 DEADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H]3CCCC[C@H]3O)CC2)C[C@H](C)O1 ZINC000568946021 292378010 /nfs/dbraw/zinc/37/80/10/292378010.db2.gz ZQGUXDVTRXGBLY-OGWHTMIXSA-N 1 3 324.509 2.359 20 0 DEADHO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639759560 406237929 /nfs/dbraw/zinc/23/79/29/406237929.db2.gz BFQVIYVUAZCGNN-ZACQAIPSSA-N 1 3 321.509 2.297 20 0 DEADHO CN(C)C(=O)[C@H](c1ccccc1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639759747 406238588 /nfs/dbraw/zinc/23/85/88/406238588.db2.gz ILKJDMVRPXMIAM-KRWDZBQOSA-N 1 3 315.461 2.234 20 0 DEADHO CCC(C)(C)OCCNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634716243 406242903 /nfs/dbraw/zinc/24/29/03/406242903.db2.gz RBZUZOIIPVKTOB-IBGZPJMESA-N 1 3 320.477 2.418 20 0 DEADHO CCC(C)(C)OCCNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634716243 406242907 /nfs/dbraw/zinc/24/29/07/406242907.db2.gz RBZUZOIIPVKTOB-IBGZPJMESA-N 1 3 320.477 2.418 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000520313698 406282502 /nfs/dbraw/zinc/28/25/02/406282502.db2.gz JALYJGHXTKKELD-OAHLLOKOSA-N 1 3 321.490 2.028 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000520313698 406282508 /nfs/dbraw/zinc/28/25/08/406282508.db2.gz JALYJGHXTKKELD-OAHLLOKOSA-N 1 3 321.490 2.028 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000488504133 406325700 /nfs/dbraw/zinc/32/57/00/406325700.db2.gz KZXQRYRHWUZEOC-FUHWJXTLSA-N 1 3 317.477 2.355 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000488504133 406325702 /nfs/dbraw/zinc/32/57/02/406325702.db2.gz KZXQRYRHWUZEOC-FUHWJXTLSA-N 1 3 317.477 2.355 20 0 DEADHO CC(C)(CNCCC(=O)Nc1cccnc1)C[NH+]1CCCC1 ZINC000570037667 406336356 /nfs/dbraw/zinc/33/63/56/406336356.db2.gz DLNYUKTUZHIJFD-UHFFFAOYSA-N 1 3 304.438 2.122 20 0 DEADHO CC(C)(C[NH2+]CCC(=O)Nc1cccnc1)CN1CCCC1 ZINC000570037667 406336359 /nfs/dbraw/zinc/33/63/59/406336359.db2.gz DLNYUKTUZHIJFD-UHFFFAOYSA-N 1 3 304.438 2.122 20 0 DEADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(CCN1CCCCCC1)C1CCC1 ZINC000488871037 406357122 /nfs/dbraw/zinc/35/71/22/406357122.db2.gz PCUFFBFVJBKFTC-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCN1CCCCCC1)C1CCC1 ZINC000488871037 406357127 /nfs/dbraw/zinc/35/71/27/406357127.db2.gz PCUFFBFVJBKFTC-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+](C)C[C@H](O)CN[C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000570460851 406396875 /nfs/dbraw/zinc/39/68/75/406396875.db2.gz HEIISEQRROUYEY-FGTMMUONSA-N 1 3 320.477 2.273 20 0 DEADHO CC[N@@H+](C)C[C@H](O)CN[C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000570460851 406396880 /nfs/dbraw/zinc/39/68/80/406396880.db2.gz HEIISEQRROUYEY-FGTMMUONSA-N 1 3 320.477 2.273 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(CN(C)C)cc2)C1 ZINC000523510771 406428415 /nfs/dbraw/zinc/42/84/15/406428415.db2.gz VCPWWKWCGOMHDC-MRXNPFEDSA-N 1 3 303.450 2.208 20 0 DEADHO CC(C)[N@H+]1CC[C@H](CNC(=O)c2ccc(CN(C)C)cc2)C1 ZINC000523510771 406428419 /nfs/dbraw/zinc/42/84/19/406428419.db2.gz VCPWWKWCGOMHDC-MRXNPFEDSA-N 1 3 303.450 2.208 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@H](NC[C@@H](O)COCc2ccccc2)C1 ZINC000570274223 406370050 /nfs/dbraw/zinc/37/00/50/406370050.db2.gz YKNXTRCAERHQDH-RCCFBDPRSA-N 1 3 306.450 2.027 20 0 DEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COCc2ccccc2)C1 ZINC000570274223 406370054 /nfs/dbraw/zinc/37/00/54/406370054.db2.gz YKNXTRCAERHQDH-RCCFBDPRSA-N 1 3 306.450 2.027 20 0 DEADHO C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)N1CCC[C@@H](C)C1 ZINC000635301273 406491662 /nfs/dbraw/zinc/49/16/62/406491662.db2.gz WQUWOCPBGNXMMZ-CVEARBPZSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)[N@H+](C)CC1CCN([C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000524155919 406441438 /nfs/dbraw/zinc/44/14/38/406441438.db2.gz TZIRMPVFPHRIFJ-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN([C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000524155919 406441443 /nfs/dbraw/zinc/44/14/43/406441443.db2.gz TZIRMPVFPHRIFJ-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000524877847 406463416 /nfs/dbraw/zinc/46/34/16/406463416.db2.gz REMAICUZIKDIJV-SJLPKXTDSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000524877847 406463420 /nfs/dbraw/zinc/46/34/20/406463420.db2.gz REMAICUZIKDIJV-SJLPKXTDSA-N 1 3 315.461 2.061 20 0 DEADHO CO[C@@]1(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)CCOC1 ZINC000638021328 406527475 /nfs/dbraw/zinc/52/74/75/406527475.db2.gz CMVYXVYZOXARDY-QZTJIDSGSA-N 1 3 310.482 2.380 20 0 DEADHO O=C([C@H]1CCN1C1CCCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000635419915 406531084 /nfs/dbraw/zinc/53/10/84/406531084.db2.gz KICSSAXRXGXORR-GOSISDBHSA-N 1 3 319.493 2.480 20 0 DEADHO CC[NH2+][C@H](C)C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000638063379 406551380 /nfs/dbraw/zinc/55/13/80/406551380.db2.gz MFZOONWHDARSOC-OAHLLOKOSA-N 1 3 303.450 2.074 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000525812423 406505488 /nfs/dbraw/zinc/50/54/88/406505488.db2.gz FTKUBSDFRHMGDE-DOTOQJQBSA-N 1 3 324.513 2.231 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000525812423 406505491 /nfs/dbraw/zinc/50/54/91/406505491.db2.gz FTKUBSDFRHMGDE-DOTOQJQBSA-N 1 3 324.513 2.231 20 0 DEADHO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC000635621565 406630803 /nfs/dbraw/zinc/63/08/03/406630803.db2.gz BFRDXVIHGYMKIZ-WBVHZDCISA-N 1 3 307.482 2.194 20 0 DEADHO CCN[C@@H](C)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000638136156 406589243 /nfs/dbraw/zinc/58/92/43/406589243.db2.gz YAPVBVXCRMMWPH-CABCVRRESA-N 1 3 319.449 2.344 20 0 DEADHO CCN[C@@H](C)C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000638136156 406589246 /nfs/dbraw/zinc/58/92/46/406589246.db2.gz YAPVBVXCRMMWPH-CABCVRRESA-N 1 3 319.449 2.344 20 0 DEADHO CN(CC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)CC(C)(C)C ZINC000638252855 406650974 /nfs/dbraw/zinc/65/09/74/406650974.db2.gz WPDOZUJYHIQRRS-HOTGVXAUSA-N 1 3 309.498 2.203 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CCN[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000572466660 406673331 /nfs/dbraw/zinc/67/33/31/406673331.db2.gz QGFDDGQZJNITRF-SQNIBIBYSA-N 1 3 309.498 2.094 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CCN[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000572466660 406673337 /nfs/dbraw/zinc/67/33/37/406673337.db2.gz QGFDDGQZJNITRF-SQNIBIBYSA-N 1 3 309.498 2.094 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCCC(C)(C)C1 ZINC000527493355 406642318 /nfs/dbraw/zinc/64/23/18/406642318.db2.gz DURFREMXQUGKFQ-HNNXBMFYSA-N 1 3 312.502 2.090 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000646106022 406783101 /nfs/dbraw/zinc/78/31/01/406783101.db2.gz OZXZQIRLEPBIGA-NVXWUHKLSA-N 1 3 303.450 2.107 20 0 DEADHO COC(=O)COc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000554887707 406828243 /nfs/dbraw/zinc/82/82/43/406828243.db2.gz OOZALSMBUHJDRB-YOEHRIQHSA-N 1 3 320.433 2.010 20 0 DEADHO COC(=O)COc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000554887707 406828244 /nfs/dbraw/zinc/82/82/44/406828244.db2.gz OOZALSMBUHJDRB-YOEHRIQHSA-N 1 3 320.433 2.010 20 0 DEADHO O=C(C[C@@H]1CC[NH2+]C1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000646410135 406859934 /nfs/dbraw/zinc/85/99/34/406859934.db2.gz SYJWYMIMDXDVDO-WMZOPIPTSA-N 1 3 315.461 2.329 20 0 DEADHO C[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000643294726 406975889 /nfs/dbraw/zinc/97/58/89/406975889.db2.gz MVGJKSQABBRSOX-DOTOQJQBSA-N 1 3 306.450 2.077 20 0 DEADHO C[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000643294726 406975891 /nfs/dbraw/zinc/97/58/91/406975891.db2.gz MVGJKSQABBRSOX-DOTOQJQBSA-N 1 3 306.450 2.077 20 0 DEADHO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CCCN(C)C1 ZINC000642056231 406911467 /nfs/dbraw/zinc/91/14/67/406911467.db2.gz AQHOBNBWIMONGI-QGZVFWFLSA-N 1 3 324.513 2.378 20 0 DEADHO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(Nc4ccncc4)cc3)[C@H]2C1 ZINC000646937265 406930268 /nfs/dbraw/zinc/93/02/68/406930268.db2.gz ITEGUOYAGGDORF-QAPCUYQASA-N 1 3 322.412 2.023 20 0 DEADHO C[N@H+]1C[C@H]2CCN(C(=O)c3ccc(Nc4ccncc4)cc3)[C@H]2C1 ZINC000646937265 406930271 /nfs/dbraw/zinc/93/02/71/406930271.db2.gz ITEGUOYAGGDORF-QAPCUYQASA-N 1 3 322.412 2.023 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000643057198 406950153 /nfs/dbraw/zinc/95/01/53/406950153.db2.gz YCHPVDGVMXLESX-HZPDHXFCSA-N 1 3 314.433 2.340 20 0 DEADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000643057198 406950156 /nfs/dbraw/zinc/95/01/56/406950156.db2.gz YCHPVDGVMXLESX-HZPDHXFCSA-N 1 3 314.433 2.340 20 0 DEADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000643057198 406950159 /nfs/dbraw/zinc/95/01/59/406950159.db2.gz YCHPVDGVMXLESX-HZPDHXFCSA-N 1 3 314.433 2.340 20 0 DEADHO C[C@H](N[C@H]1CCC[NH2+]CC1)c1cccc(N2CCOCC2)c1 ZINC000643521671 407010207 /nfs/dbraw/zinc/01/02/07/407010207.db2.gz UJZQQXWNXTTYHO-RDJZCZTQSA-N 1 3 303.450 2.316 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(C(=O)NC4CC4)cc3)C[C@@H]21 ZINC000647511429 407010371 /nfs/dbraw/zinc/01/03/71/407010371.db2.gz LWTGIXGKPAFLAR-BPQIPLTHSA-N 1 3 313.445 2.138 20 0 DEADHO Cc1ccc([C@H](CCn2cncn2)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000643522109 407010750 /nfs/dbraw/zinc/01/07/50/407010750.db2.gz HYNSTEVDQDIMLA-ROUUACIJSA-N 1 3 313.449 2.450 20 0 DEADHO Cc1ccc([C@H](CCn2cncn2)[NH2+][C@H]2CCN[C@@H](C)C2)cc1 ZINC000643525784 407011035 /nfs/dbraw/zinc/01/10/35/407011035.db2.gz CNWZNNDFVZCWRN-SZMVWBNQSA-N 1 3 313.449 2.448 20 0 DEADHO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCNC3(CCC3)C2)C12CCOCC2 ZINC000643547168 407013105 /nfs/dbraw/zinc/01/31/05/407013105.db2.gz AMFGIOZXSCKPGO-HRCADAONSA-N 1 3 308.466 2.225 20 0 DEADHO CCO[C@@H]1C[C@H](N[C@H]2CC[NH2+]C3(CCC3)C2)C12CCOCC2 ZINC000643547168 407013108 /nfs/dbraw/zinc/01/31/08/407013108.db2.gz AMFGIOZXSCKPGO-HRCADAONSA-N 1 3 308.466 2.225 20 0 DEADHO NC(=O)c1csc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647542976 407016712 /nfs/dbraw/zinc/01/67/12/407016712.db2.gz FMSKOZXFEVTCNU-STQMWFEESA-N 1 3 307.463 2.059 20 0 DEADHO COc1ccccc1C(C)(C)CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000643457603 407001917 /nfs/dbraw/zinc/00/19/17/407001917.db2.gz PPOCPKXMYXQPNR-OFQRWUPVSA-N 1 3 306.450 2.315 20 0 DEADHO COc1ccccc1C(C)(C)C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N ZINC000643457603 407001920 /nfs/dbraw/zinc/00/19/20/407001920.db2.gz PPOCPKXMYXQPNR-OFQRWUPVSA-N 1 3 306.450 2.315 20 0 DEADHO O=C(C1CCCC1)N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000643463255 407003135 /nfs/dbraw/zinc/00/31/35/407003135.db2.gz OFVZRHKVUMYHOU-BSDSXHPESA-N 1 3 319.493 2.288 20 0 DEADHO CO[C@H](CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])c1ccccc1Cl ZINC000643467529 407004381 /nfs/dbraw/zinc/00/43/81/407004381.db2.gz SFYXEJUTZIKLCF-WXYCVUISSA-N 1 3 312.841 2.369 20 0 DEADHO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1ccc(OCCN(C)C)cc1 ZINC000647483741 407006185 /nfs/dbraw/zinc/00/61/85/407006185.db2.gz GERQXJAFLZKZCJ-CRAIPNDOSA-N 1 3 305.466 2.329 20 0 DEADHO CN(CCN1CC[NH2+]CC1)Cc1cccc(OC2CCCC2)c1 ZINC000647492935 407007019 /nfs/dbraw/zinc/00/70/19/407007019.db2.gz JMGBQPCFJIQMEJ-UHFFFAOYSA-N 1 3 317.477 2.345 20 0 DEADHO CCC[C@H](C)NC(=O)[C@H](C)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976525 407091725 /nfs/dbraw/zinc/09/17/25/407091725.db2.gz PSABHEUGBDZTEE-MWDXBVQZSA-N 1 3 309.498 2.391 20 0 DEADHO CCC(CC)NC(=O)[C@H](C)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976538 407092052 /nfs/dbraw/zinc/09/20/52/407092052.db2.gz PTHXFFMXILSSIO-JYJNAYRXSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H](C(=O)N1CCCCC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978468 407092371 /nfs/dbraw/zinc/09/23/71/407092371.db2.gz SOFUKQYUKCXZOV-BRWVUGGUSA-N 1 3 307.482 2.099 20 0 DEADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C[C@]2(C)CCCS2)CC1 ZINC000647910971 407073374 /nfs/dbraw/zinc/07/33/74/407073374.db2.gz MZDDDRVHJCETMW-IRXDYDNUSA-N 1 3 311.539 2.374 20 0 DEADHO C[N@H+]1CCCC[C@H]1CN1CCN(C[C@]2(C)CCCS2)CC1 ZINC000647910971 407073375 /nfs/dbraw/zinc/07/33/75/407073375.db2.gz MZDDDRVHJCETMW-IRXDYDNUSA-N 1 3 311.539 2.374 20 0 DEADHO CC[C@H]1CN(CCC(=O)Nc2ccc(OC)cc2)CC[C@@H]1[NH3+] ZINC000647934576 407078681 /nfs/dbraw/zinc/07/86/81/407078681.db2.gz JKZKPRJQTUKPCZ-BBRMVZONSA-N 1 3 305.422 2.083 20 0 DEADHO CCCN(C(=O)NCC[N@@H+]1CCCC[C@H]1CC)[C@@H]1CCN(C)C1 ZINC000645305690 407261079 /nfs/dbraw/zinc/26/10/79/407261079.db2.gz YEDDPWLTPRMHMA-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO CCCN(C(=O)NCC[N@H+]1CCCC[C@H]1CC)[C@@H]1CCN(C)C1 ZINC000645305690 407261080 /nfs/dbraw/zinc/26/10/80/407261080.db2.gz YEDDPWLTPRMHMA-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO CCCN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1CCN(C)C1 ZINC000645101124 407231368 /nfs/dbraw/zinc/23/13/68/407231368.db2.gz WSPGBRGLEFOGCU-OAHLLOKOSA-N 1 3 324.513 2.421 20 0 DEADHO CCCN(C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCN(C)C1 ZINC000645162711 407240103 /nfs/dbraw/zinc/24/01/03/407240103.db2.gz QJXXGKJOGHOTCY-IKGGRYGDSA-N 1 3 324.513 2.233 20 0 DEADHO CCCN(C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)[C@H]1CCN(C)C1 ZINC000645162711 407240104 /nfs/dbraw/zinc/24/01/04/407240104.db2.gz QJXXGKJOGHOTCY-IKGGRYGDSA-N 1 3 324.513 2.233 20 0 DEADHO CCCN(C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCN(C)C1 ZINC000645162712 407240263 /nfs/dbraw/zinc/24/02/63/407240263.db2.gz QJXXGKJOGHOTCY-IXDOHACOSA-N 1 3 324.513 2.233 20 0 DEADHO CCCN(C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCN(C)C1 ZINC000645162712 407240266 /nfs/dbraw/zinc/24/02/66/407240266.db2.gz QJXXGKJOGHOTCY-IXDOHACOSA-N 1 3 324.513 2.233 20 0 DEADHO CCCN(C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)[C@@H]1CCN(C)C1 ZINC000645222851 407248858 /nfs/dbraw/zinc/24/88/58/407248858.db2.gz RUCWXJKQHYXMRK-IAGOWNOFSA-N 1 3 324.513 2.233 20 0 DEADHO CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]2NCC2(C)C)cc1 ZINC000645379171 407271168 /nfs/dbraw/zinc/27/11/68/407271168.db2.gz CAGYIXSQEYUDTE-INIZCTEOSA-N 1 3 319.449 2.344 20 0 DEADHO Cc1ccccc1CN1CCC(NC(=O)[C@H]2CC[NH2+][C@H]2C)CC1 ZINC000645564935 407294417 /nfs/dbraw/zinc/29/44/17/407294417.db2.gz KICQHJINPJAMCI-YJBOKZPZSA-N 1 3 315.461 2.074 20 0 DEADHO C[C@H](CNC(=O)NC[C@H](C)N1CCC(C)CC1)C[NH+]1CCCC1 ZINC000129003531 196011255 /nfs/dbraw/zinc/01/12/55/196011255.db2.gz GKMNLAOQRTUBEN-SJORKVTESA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](CN[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC000130861768 196118064 /nfs/dbraw/zinc/11/80/64/196118064.db2.gz KNMCBJRETBBOLM-HUUCEWRRSA-N 1 3 311.470 2.317 20 0 DEADHO C[C@H](C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)CN1CCCC1 ZINC000130861768 196118066 /nfs/dbraw/zinc/11/80/66/196118066.db2.gz KNMCBJRETBBOLM-HUUCEWRRSA-N 1 3 311.470 2.317 20 0 DEADHO C[C@@H](Cn1cc(Br)cn1)NCC(C)(C)C[NH+](C)C ZINC000132137750 196229994 /nfs/dbraw/zinc/22/99/94/196229994.db2.gz GZTDTIXQJVPLGI-NSHDSACASA-N 1 3 317.275 2.212 20 0 DEADHO C[C@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)[C@H]1CCOC1 ZINC000132636546 196272571 /nfs/dbraw/zinc/27/25/71/196272571.db2.gz YIWDNWSOCVUETD-YJBOKZPZSA-N 1 3 318.461 2.158 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCN2CCCOCC2)C1 ZINC000429682527 287273416 /nfs/dbraw/zinc/27/34/16/287273416.db2.gz GTZJJMCZXOZCBI-RTBURBONSA-N 1 3 323.525 2.295 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCN2CCCOCC2)C1 ZINC000429682527 287273417 /nfs/dbraw/zinc/27/34/17/287273417.db2.gz GTZJJMCZXOZCBI-RTBURBONSA-N 1 3 323.525 2.295 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN1CCCC(C)C ZINC001423095195 1173072461 /nfs/dbraw/zinc/07/24/61/1173072461.db2.gz UCCGLHHDVZRUDE-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCc1ccc2c(c1)CNC2 ZINC000188705860 225030069 /nfs/dbraw/zinc/03/00/69/225030069.db2.gz WVDKJHAAOJKDDI-SJORKVTESA-N 1 3 301.434 2.204 20 0 DEADHO C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000295871399 225331629 /nfs/dbraw/zinc/33/16/29/225331629.db2.gz XHXGPUXZVNMAFB-KDOFPFPSSA-N 1 3 320.502 2.484 20 0 DEADHO CC[C@@H]1c2ccsc2CC[N@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414701009 287380573 /nfs/dbraw/zinc/38/05/73/287380573.db2.gz JZCXKBYRVPHFEX-UKRRQHHQSA-N 1 3 321.490 2.255 20 0 DEADHO CC[C@@H]1c2ccsc2CC[N@@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414701009 287380576 /nfs/dbraw/zinc/38/05/76/287380576.db2.gz JZCXKBYRVPHFEX-UKRRQHHQSA-N 1 3 321.490 2.255 20 0 DEADHO C[C@@H]1CCC[C@@H](C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000414488947 287397746 /nfs/dbraw/zinc/39/77/46/287397746.db2.gz VCKVICWUWLBNMT-QZTJIDSGSA-N 1 3 323.525 2.199 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000417695122 229071270 /nfs/dbraw/zinc/07/12/70/229071270.db2.gz TYCDZZBAJDXQRG-LSDHHAIUSA-N 1 3 318.465 2.106 20 0 DEADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CCC[C@@H]([NH3+])C1)N(C)C ZINC000418185768 229259673 /nfs/dbraw/zinc/25/96/73/229259673.db2.gz RHLUGRKVARIERL-BFYDXBDKSA-N 1 3 318.465 2.119 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418345878 229317814 /nfs/dbraw/zinc/31/78/14/229317814.db2.gz UBAQSXXQPRUHSO-MRXNPFEDSA-N 1 3 324.513 2.140 20 0 DEADHO C[C@@H]1CCN(C)CCN1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418446060 229352332 /nfs/dbraw/zinc/35/23/32/229352332.db2.gz NUAHTVIKZDFZKW-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@H](C[NH3+])NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000418511137 229372497 /nfs/dbraw/zinc/37/24/97/229372497.db2.gz IXZGHTOJURGASW-VYDXJSESSA-N 1 3 318.465 2.028 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418563728 229388992 /nfs/dbraw/zinc/38/89/92/229388992.db2.gz IMDVBVQHEZTUBE-KBPBESRZSA-N 1 3 324.494 2.091 20 0 DEADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1N1CCOCC1 ZINC000422691452 230165749 /nfs/dbraw/zinc/16/57/49/230165749.db2.gz IHDZAQSCMJBEBQ-IRXDYDNUSA-N 1 3 303.450 2.273 20 0 DEADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Oc1ccc(F)cc1 ZINC000422783414 230207207 /nfs/dbraw/zinc/20/72/07/230207207.db2.gz HITMQRNJIUYXJK-BVPBIZIASA-N 1 3 322.424 2.340 20 0 DEADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])Oc1ccc(Cl)cc1 ZINC000422795643 230213736 /nfs/dbraw/zinc/21/37/36/230213736.db2.gz IAPHPGUKNMDAAK-NOXHYTERSA-N 1 3 312.841 2.449 20 0 DEADHO Cc1cccc([C@H](CN[C@@H](C)C[C@@H](C)[NH3+])N2CCOCC2)c1 ZINC000422870539 230253080 /nfs/dbraw/zinc/25/30/80/230253080.db2.gz YVXQTWDMWGPZGX-RYRKJORJSA-N 1 3 305.466 2.084 20 0 DEADHO COC1CCN(C2(CN[C@@H](C)[C@H]3CCC[NH2+]3)CCCC2)CC1 ZINC000422887395 230259871 /nfs/dbraw/zinc/25/98/71/230259871.db2.gz KWODZVFXOAFSEY-DOTOQJQBSA-N 1 3 309.498 2.140 20 0 DEADHO COc1cc(OC)c(CC[NH2+][C@@H]2CCCC[C@H]2CN)c(OC)c1 ZINC000422891523 230260952 /nfs/dbraw/zinc/26/09/52/230260952.db2.gz VOIJXLOFXNDRSR-XJKSGUPXSA-N 1 3 322.449 2.362 20 0 DEADHO COc1cc(OC)c(CCN[C@@H]2CCCC[C@H]2C[NH3+])c(OC)c1 ZINC000422891523 230260957 /nfs/dbraw/zinc/26/09/57/230260957.db2.gz VOIJXLOFXNDRSR-XJKSGUPXSA-N 1 3 322.449 2.362 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000422896111 230264359 /nfs/dbraw/zinc/26/43/59/230264359.db2.gz HHNGAAXGXOEMBB-GVXVVHGQSA-N 1 3 320.355 2.161 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000422897613 230267841 /nfs/dbraw/zinc/26/78/41/230267841.db2.gz CHFKSVROLLJQMO-DCAQKATOSA-N 1 3 321.248 2.449 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCc1ccc(F)cc1Cl ZINC000422957939 230293324 /nfs/dbraw/zinc/29/33/24/230293324.db2.gz WEPPNJOBVSZCDI-XEGUGMAKSA-N 1 3 300.805 2.364 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC000422957939 230293329 /nfs/dbraw/zinc/29/33/29/230293329.db2.gz WEPPNJOBVSZCDI-XEGUGMAKSA-N 1 3 300.805 2.364 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cccc(CN2CCCC2=O)c1 ZINC000422961513 230295793 /nfs/dbraw/zinc/29/57/93/230295793.db2.gz ZAELHEOPFYPLPE-QZTJIDSGSA-N 1 3 315.461 2.416 20 0 DEADHO Cc1ccc(CN[C@@H](C)C[C@H](C)[NH3+])c(-n2cc(Cl)cn2)n1 ZINC000423066849 230337542 /nfs/dbraw/zinc/33/75/42/230337542.db2.gz FNSURRQZARQSIN-JQWIXIFHSA-N 1 3 307.829 2.445 20 0 DEADHO FC(F)(F)c1ccc(OCCC[NH2+]C2CCNCC2)nc1 ZINC000423079100 230341909 /nfs/dbraw/zinc/34/19/09/230341909.db2.gz QCKMARQLPRPTPV-UHFFFAOYSA-N 1 3 303.328 2.211 20 0 DEADHO FC(F)(F)c1ccc(OCCCNC2CC[NH2+]CC2)nc1 ZINC000423079100 230341912 /nfs/dbraw/zinc/34/19/12/230341912.db2.gz QCKMARQLPRPTPV-UHFFFAOYSA-N 1 3 303.328 2.211 20 0 DEADHO C[C@H](C(=O)N[C@H]1CC[N@H+](CCCF)[C@@H]1C)N1CCCCCC1 ZINC001088897813 782028634 /nfs/dbraw/zinc/02/86/34/782028634.db2.gz YGSSOOMAIDSAHX-OAGGEKHMSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H](C(=O)N[C@H]1CC[N@@H+](CCCF)[C@@H]1C)N1CCCCCC1 ZINC001088897813 782028640 /nfs/dbraw/zinc/02/86/40/782028640.db2.gz YGSSOOMAIDSAHX-OAGGEKHMSA-N 1 3 313.461 2.190 20 0 DEADHO CN(C)CCOc1cccc(N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000400941480 424923019 /nfs/dbraw/zinc/92/30/19/424923019.db2.gz CXYYXQXAPPNGBE-ZMSDIMECSA-N 1 3 303.450 2.427 20 0 DEADHO C[N@H+](CCCNC(=O)[C@@H]1CNCCC1(F)F)C1CCCCC1 ZINC000649293703 424985670 /nfs/dbraw/zinc/98/56/70/424985670.db2.gz FONLGJLULLDRAV-AWEZNQCLSA-N 1 3 317.424 2.002 20 0 DEADHO C[N@@H+](CCCNC(=O)[C@@H]1CNCCC1(F)F)C1CCCCC1 ZINC000649293703 424985674 /nfs/dbraw/zinc/98/56/74/424985674.db2.gz FONLGJLULLDRAV-AWEZNQCLSA-N 1 3 317.424 2.002 20 0 DEADHO CC(C)n1nccc1CN1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650723240 425042989 /nfs/dbraw/zinc/04/29/89/425042989.db2.gz JZKLSHAHFUSVCE-UAGQMJEPSA-N 1 3 306.454 2.325 20 0 DEADHO CC[N@H+](CCCN[C@@H](C)C[C@@H]1COCCN1)C1CCCCC1 ZINC000650741693 425046312 /nfs/dbraw/zinc/04/63/12/425046312.db2.gz JRDBONQHYLGINC-DLBZAZTESA-N 1 3 311.514 2.388 20 0 DEADHO CC[N@@H+](CCCN[C@@H](C)C[C@@H]1COCCN1)C1CCCCC1 ZINC000650741693 425046314 /nfs/dbraw/zinc/04/63/14/425046314.db2.gz JRDBONQHYLGINC-DLBZAZTESA-N 1 3 311.514 2.388 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000663482533 425168727 /nfs/dbraw/zinc/16/87/27/425168727.db2.gz UUKRPCYSTVNOHN-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000663482533 425168733 /nfs/dbraw/zinc/16/87/33/425168733.db2.gz UUKRPCYSTVNOHN-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO Cn1c(=O)ccc2c1CCC[C@H]2NC1CC[NH+](CC2CC2)CC1 ZINC000652075114 425180378 /nfs/dbraw/zinc/18/03/78/425180378.db2.gz ZWQURDYRJSTAMP-QGZVFWFLSA-N 1 3 315.461 2.227 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000660634251 425184242 /nfs/dbraw/zinc/18/42/42/425184242.db2.gz NOEQTECKLPWXJX-GJZGRUSLSA-N 1 3 310.486 2.033 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000660634251 425184246 /nfs/dbraw/zinc/18/42/46/425184246.db2.gz NOEQTECKLPWXJX-GJZGRUSLSA-N 1 3 310.486 2.033 20 0 DEADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000660633056 425184501 /nfs/dbraw/zinc/18/45/01/425184501.db2.gz BFEPYXASWLHYIU-GJZGRUSLSA-N 1 3 310.486 2.033 20 0 DEADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000660633056 425184503 /nfs/dbraw/zinc/18/45/03/425184503.db2.gz BFEPYXASWLHYIU-GJZGRUSLSA-N 1 3 310.486 2.033 20 0 DEADHO CN(C)CCOc1ccc(CNCC2([NH3+])CCCCC2)cc1 ZINC000666802265 425185838 /nfs/dbraw/zinc/18/58/38/425185838.db2.gz SLBWZTUVOAGQKS-UHFFFAOYSA-N 1 3 305.466 2.378 20 0 DEADHO CC1(C)CC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)CC(C)(C)C1 ZINC000656790622 425191032 /nfs/dbraw/zinc/19/10/32/425191032.db2.gz FAPGSKUYROVDPR-OAHLLOKOSA-N 1 3 309.498 2.332 20 0 DEADHO CC1(C)CC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)CC(C)(C)C1 ZINC000656790622 425191038 /nfs/dbraw/zinc/19/10/38/425191038.db2.gz FAPGSKUYROVDPR-OAHLLOKOSA-N 1 3 309.498 2.332 20 0 DEADHO C[NH2+]Cc1ccccc1CNC(=O)N[C@H](C)CN1CCCCC1 ZINC000652128170 425192785 /nfs/dbraw/zinc/19/27/85/425192785.db2.gz QVHUDNPFGJPFSQ-OAHLLOKOSA-N 1 3 318.465 2.080 20 0 DEADHO COc1cccc(-c2n[nH]cc2CN[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000666852267 425197078 /nfs/dbraw/zinc/19/70/78/425197078.db2.gz WDCIQLBYZQGNNE-CABCVRRESA-N 1 3 300.406 2.445 20 0 DEADHO CCN(C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)[C@H]1CCN(C)C1 ZINC000663626987 425199261 /nfs/dbraw/zinc/19/92/61/425199261.db2.gz ARYDWQAGQGBDCT-IRXDYDNUSA-N 1 3 324.513 2.233 20 0 DEADHO CCN(C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCN(C)C1 ZINC000663655095 425206407 /nfs/dbraw/zinc/20/64/07/425206407.db2.gz LITWXKLMUSIJOG-SJORKVTESA-N 1 3 324.513 2.234 20 0 DEADHO CCN(C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[C@H]1CCN(C)C1 ZINC000663655095 425206409 /nfs/dbraw/zinc/20/64/09/425206409.db2.gz LITWXKLMUSIJOG-SJORKVTESA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H](CO)C1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000651956184 425153340 /nfs/dbraw/zinc/15/33/40/425153340.db2.gz OVBYZDYEEOLAKV-INIZCTEOSA-N 1 3 320.477 2.467 20 0 DEADHO C[C@@H](CO)C1CC[NH+](Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000651956184 425153341 /nfs/dbraw/zinc/15/33/41/425153341.db2.gz OVBYZDYEEOLAKV-INIZCTEOSA-N 1 3 320.477 2.467 20 0 DEADHO CCN1C[C@H](C[NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)CC1=O ZINC000652015442 425163175 /nfs/dbraw/zinc/16/31/75/425163175.db2.gz CXEMUSKUDVUDKO-SOLBZPMBSA-N 1 3 321.509 2.488 20 0 DEADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(CCOc3ccccc3F)C2)C1 ZINC000652346015 425242932 /nfs/dbraw/zinc/24/29/32/425242932.db2.gz RCHWOCJQQQCFDT-RKVPGOIHSA-N 1 3 322.424 2.423 20 0 DEADHO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000660833065 425249192 /nfs/dbraw/zinc/24/91/92/425249192.db2.gz CYVSTPBYTPMAPP-HZPDHXFCSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000660852902 425257397 /nfs/dbraw/zinc/25/73/97/425257397.db2.gz LAUBGJKTNAIHSC-HOTGVXAUSA-N 1 3 324.513 2.136 20 0 DEADHO CC1CCN(CCNC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000654374481 425335774 /nfs/dbraw/zinc/33/57/74/425335774.db2.gz OQHBJNQCGOKOAM-IRXDYDNUSA-N 1 3 322.497 2.034 20 0 DEADHO CC1CCN(CCNC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000654374481 425335776 /nfs/dbraw/zinc/33/57/76/425335776.db2.gz OQHBJNQCGOKOAM-IRXDYDNUSA-N 1 3 322.497 2.034 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)NCCC1CC[NH2+]CC1 ZINC000652598083 425299555 /nfs/dbraw/zinc/29/95/55/425299555.db2.gz UZGPCMJSMXOKJB-UHFFFAOYSA-N 1 3 318.465 2.302 20 0 DEADHO COCc1ccc(CNCC2CC[NH+](C3CCOCC3)CC2)o1 ZINC000657535837 425358423 /nfs/dbraw/zinc/35/84/23/425358423.db2.gz SFJKCKHKYLQZGT-UHFFFAOYSA-N 1 3 322.449 2.407 20 0 DEADHO NC(=O)C[C@H]1CC[N@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000664494359 425397082 /nfs/dbraw/zinc/39/70/82/425397082.db2.gz BCHAZVNIGNIIOL-GOSISDBHSA-N 1 3 315.461 2.370 20 0 DEADHO NC(=O)C[C@H]1CC[N@@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000664494359 425397085 /nfs/dbraw/zinc/39/70/85/425397085.db2.gz BCHAZVNIGNIIOL-GOSISDBHSA-N 1 3 315.461 2.370 20 0 DEADHO CC[NH+](CC)Cc1cccc(CN[C@H](C)Cn2cncn2)c1 ZINC000657841703 425407981 /nfs/dbraw/zinc/40/79/81/425407981.db2.gz QSHZESGDJKRCED-OAHLLOKOSA-N 1 3 301.438 2.298 20 0 DEADHO C[NH+](C)CCOc1ccc(CN[C@H]2CCCn3nccc32)cc1 ZINC000657841680 425408272 /nfs/dbraw/zinc/40/82/72/425408272.db2.gz QNLZTOKEZOTPOF-KRWDZBQOSA-N 1 3 314.433 2.448 20 0 DEADHO CCC[N@H+](C)CC(C)(C)NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000664367114 425371641 /nfs/dbraw/zinc/37/16/41/425371641.db2.gz HBAKMMXQGAHTCD-UONOGXRCSA-N 1 3 310.486 2.031 20 0 DEADHO CCC[N@@H+](C)CC(C)(C)NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000664367114 425371646 /nfs/dbraw/zinc/37/16/46/425371646.db2.gz HBAKMMXQGAHTCD-UONOGXRCSA-N 1 3 310.486 2.031 20 0 DEADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000664409941 425379488 /nfs/dbraw/zinc/37/94/88/425379488.db2.gz ROIJXRFVEKHYEB-DLBZAZTESA-N 1 3 324.513 2.280 20 0 DEADHO C[NH+](C)C1CCC(NC(=O)NC[C@@H]2CCN2C(C)(C)C)CC1 ZINC000661338480 425383885 /nfs/dbraw/zinc/38/38/85/425383885.db2.gz ZQGUZZJSWQITOV-NRXISQOPSA-N 1 3 310.486 2.031 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000654701099 425417763 /nfs/dbraw/zinc/41/77/63/425417763.db2.gz YIIMRIGTSGGLGY-QGZVFWFLSA-N 1 3 321.509 2.443 20 0 DEADHO CN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654735737 425429524 /nfs/dbraw/zinc/42/95/24/425429524.db2.gz UGQLMCKUDYOYOA-SJORKVTESA-N 1 3 322.497 2.131 20 0 DEADHO C[C@@H](CCNC(=O)NC[C@H]1CCN1C(C)(C)C)[NH+]1CCCCC1 ZINC000664643428 425429889 /nfs/dbraw/zinc/42/98/89/425429889.db2.gz FOQMUCOAOLCJNL-JKSUJKDBSA-N 1 3 324.513 2.423 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000654738772 425429903 /nfs/dbraw/zinc/42/99/03/425429903.db2.gz QYIWGTQRSKYWCB-BBWFWOEESA-N 1 3 322.497 2.127 20 0 DEADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000654738772 425429905 /nfs/dbraw/zinc/42/99/05/425429905.db2.gz QYIWGTQRSKYWCB-BBWFWOEESA-N 1 3 322.497 2.127 20 0 DEADHO N[C@@H](CC1CCCCC1)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000653222874 425437522 /nfs/dbraw/zinc/43/75/22/425437522.db2.gz SOYCTXQYUODDPX-INIZCTEOSA-N 1 3 307.413 2.198 20 0 DEADHO C[C@H]([NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)[C@@]1(C)CCCO1 ZINC000658134313 425442938 /nfs/dbraw/zinc/44/29/38/425442938.db2.gz ACTYJUPQRGTCEG-ZYSHUDEJSA-N 1 3 318.461 2.300 20 0 DEADHO C1C[C@@H](N2CCC([NH2+][C@@H]3CCN(C4CCCCC4)C3)CC2)CO1 ZINC000658229776 425457671 /nfs/dbraw/zinc/45/76/71/425457671.db2.gz HBLVSYDXMJLTTI-IEBWSBKVSA-N 1 3 321.509 2.236 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2C[C@H](O)C23CCC3)[C@H](C)C1 ZINC000658255708 425461909 /nfs/dbraw/zinc/46/19/09/425461909.db2.gz SHEYUTMWLWZLJD-TWMKSMIVSA-N 1 3 310.482 2.017 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2C[C@H](O)C23CCC3)[C@H](C)C1 ZINC000658255708 425461913 /nfs/dbraw/zinc/46/19/13/425461913.db2.gz SHEYUTMWLWZLJD-TWMKSMIVSA-N 1 3 310.482 2.017 20 0 DEADHO O=C1CC[C@@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)N1 ZINC000658258520 425462284 /nfs/dbraw/zinc/46/22/84/425462284.db2.gz NRPRLYUQHPUKSM-FJIDUMEYSA-N 1 3 313.445 2.050 20 0 DEADHO O=C1CC[C@@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)N1 ZINC000658258520 425462288 /nfs/dbraw/zinc/46/22/88/425462288.db2.gz NRPRLYUQHPUKSM-FJIDUMEYSA-N 1 3 313.445 2.050 20 0 DEADHO CC(C)(C)N1C[C@H](C[NH2+]C2CCN(C(C)(C)C)CC2)CC1=O ZINC000658303088 425469402 /nfs/dbraw/zinc/46/94/02/425469402.db2.gz PVRVRXYSBFNKHM-AWEZNQCLSA-N 1 3 309.498 2.486 20 0 DEADHO C[NH+](C)CCCC(C)(C)NC(=O)C1CN(C2CCCCC2)C1 ZINC000655096791 425498062 /nfs/dbraw/zinc/49/80/62/425498062.db2.gz AQNZDVBULKGQDO-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000665358372 425551451 /nfs/dbraw/zinc/55/14/51/425551451.db2.gz DYXMTPYDXFLHRR-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1NCc2ccccc21 ZINC000659284466 425567164 /nfs/dbraw/zinc/56/71/64/425567164.db2.gz FBLNPTUHJJCTOO-RYRKJORJSA-N 1 3 313.445 2.306 20 0 DEADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1NCc2ccccc21 ZINC000659284466 425567168 /nfs/dbraw/zinc/56/71/68/425567168.db2.gz FBLNPTUHJJCTOO-RYRKJORJSA-N 1 3 313.445 2.306 20 0 DEADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000655488669 425580280 /nfs/dbraw/zinc/58/02/80/425580280.db2.gz DWANFJQHBSQMAD-IMJJTQAJSA-N 1 3 303.450 2.169 20 0 DEADHO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)CNC ZINC000659357043 425584096 /nfs/dbraw/zinc/58/40/96/425584096.db2.gz UFEHERPXDVDUGH-UHFFFAOYSA-N 1 3 311.857 2.230 20 0 DEADHO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@H](C)N ZINC000659357553 425584145 /nfs/dbraw/zinc/58/41/45/425584145.db2.gz JXRWQSRVBQJKKW-ZDUSSCGKSA-N 1 3 311.857 2.358 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CCN(C(C)(C)C)C2)C1 ZINC000665555562 425595750 /nfs/dbraw/zinc/59/57/50/425595750.db2.gz GPAZWZMZMQHQEL-CABCVRRESA-N 1 3 310.486 2.031 20 0 DEADHO CCc1ccc([C@H](CNC(=O)N(C)CC(C)(C)[NH3+])N(C)C)cc1 ZINC000659426900 425600409 /nfs/dbraw/zinc/60/04/09/425600409.db2.gz GRTQIOXQNKCADE-INIZCTEOSA-N 1 3 320.481 2.230 20 0 DEADHO CN(CCOc1ccccc1Cl)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249313 425602214 /nfs/dbraw/zinc/60/22/14/425602214.db2.gz SVPXQEWEBNJNOY-CYBMUJFWSA-N 1 3 310.825 2.172 20 0 DEADHO c1ccc(CN(C[C@@H]2CCCO2)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662253009 425602669 /nfs/dbraw/zinc/60/26/69/425602669.db2.gz FZLHIWZQPZUFBP-ROUUACIJSA-N 1 3 316.445 2.189 20 0 DEADHO Fc1cccc(CC[N@H+](C[C@@H]2CCC3(CNC3)O2)C2CC2)c1 ZINC000662256270 425603337 /nfs/dbraw/zinc/60/33/37/425603337.db2.gz UTIULQIDVGHREU-KRWDZBQOSA-N 1 3 304.409 2.354 20 0 DEADHO Fc1cccc(CC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C2CC2)c1 ZINC000662256270 425603342 /nfs/dbraw/zinc/60/33/42/425603342.db2.gz UTIULQIDVGHREU-KRWDZBQOSA-N 1 3 304.409 2.354 20 0 DEADHO Fc1cccc(CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C2CC2)c1 ZINC000662256270 425603345 /nfs/dbraw/zinc/60/33/45/425603345.db2.gz UTIULQIDVGHREU-KRWDZBQOSA-N 1 3 304.409 2.354 20 0 DEADHO C[C@H](CC[NH2+]C1CCN([C@@H]2CCOC2)CC1)N1CCCCC1 ZINC000655754375 425645516 /nfs/dbraw/zinc/64/55/16/425645516.db2.gz OTUDPMWTZOUBPF-SJLPKXTDSA-N 1 3 309.498 2.094 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc2c1CNC2 ZINC000662458924 425655819 /nfs/dbraw/zinc/65/58/19/425655819.db2.gz VEILNFDBUGPMGZ-OAHLLOKOSA-N 1 3 301.434 2.284 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cccc2c1CNC2 ZINC000662458924 425655822 /nfs/dbraw/zinc/65/58/22/425655822.db2.gz VEILNFDBUGPMGZ-OAHLLOKOSA-N 1 3 301.434 2.284 20 0 DEADHO O=C(c1cccc2c1CNC2)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000662468366 425658575 /nfs/dbraw/zinc/65/85/75/425658575.db2.gz NFPNQMDAPVXECR-MRXNPFEDSA-N 1 3 313.445 2.380 20 0 DEADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cccc3c2CNC3)C1 ZINC000662486796 425664086 /nfs/dbraw/zinc/66/40/86/425664086.db2.gz RGVLLDIYKTUZAW-HNNXBMFYSA-N 1 3 313.445 2.094 20 0 DEADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cccc3c2CNC3)C1 ZINC000662486796 425664090 /nfs/dbraw/zinc/66/40/90/425664090.db2.gz RGVLLDIYKTUZAW-HNNXBMFYSA-N 1 3 313.445 2.094 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000662490282 425664541 /nfs/dbraw/zinc/66/45/41/425664541.db2.gz BKZYALKTWGDDKJ-HYVNUMGLSA-N 1 3 303.450 2.011 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292923 425616828 /nfs/dbraw/zinc/61/68/28/425616828.db2.gz BXVDDLYUNGXTDY-SOLBZPMBSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](C(=O)N1CCC(C)CC1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295068 425616935 /nfs/dbraw/zinc/61/69/35/425616935.db2.gz DVBNOMRDBXYSGW-FUHWJXTLSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1CCCN(CC(=O)NCc2ccccc2)[C@@H]1CCC[NH3+] ZINC000662313340 425621546 /nfs/dbraw/zinc/62/15/46/425621546.db2.gz KNAURNXEOLDYNF-NVXWUHKLSA-N 1 3 303.450 2.142 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000662339465 425627254 /nfs/dbraw/zinc/62/72/54/425627254.db2.gz YUBCPWNOVBISDA-MSOLQXFVSA-N 1 3 313.445 2.212 20 0 DEADHO C[C@@H](C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)N1CCCC[C@H]1C ZINC000655689590 425629168 /nfs/dbraw/zinc/62/91/68/425629168.db2.gz HFDNZWDKNNXSBT-AOIWGVFYSA-N 1 3 323.525 2.482 20 0 DEADHO CN(C)CC[C@@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)C(C)(C)C ZINC000655715166 425636973 /nfs/dbraw/zinc/63/69/73/425636973.db2.gz IHPPPODWUOANAI-IAGOWNOFSA-N 1 3 311.514 2.196 20 0 DEADHO C[C@@H](CNC(=O)c1cc2c(s1)CCNC2)[N@@H+]1CCC[C@H](C)C1 ZINC000662386731 425638673 /nfs/dbraw/zinc/63/86/73/425638673.db2.gz FWRKSXJKSIZOHG-STQMWFEESA-N 1 3 321.490 2.244 20 0 DEADHO C[C@@H](CNC(=O)c1cc2c(s1)CCNC2)[N@H+]1CCC[C@H](C)C1 ZINC000662386731 425638676 /nfs/dbraw/zinc/63/86/76/425638676.db2.gz FWRKSXJKSIZOHG-STQMWFEESA-N 1 3 321.490 2.244 20 0 DEADHO CC[C@]1(C)CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665759916 425640218 /nfs/dbraw/zinc/64/02/18/425640218.db2.gz TUJGEWDVBHPGNZ-DOTOQJQBSA-N 1 3 312.502 2.090 20 0 DEADHO CC[C@]1(C)CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665759916 425640221 /nfs/dbraw/zinc/64/02/21/425640221.db2.gz TUJGEWDVBHPGNZ-DOTOQJQBSA-N 1 3 312.502 2.090 20 0 DEADHO [NH3+]Cc1ccc(NC(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000655909596 425682885 /nfs/dbraw/zinc/68/28/85/425682885.db2.gz JTTOYTKOPYLMMK-HZPDHXFCSA-N 1 3 302.422 2.284 20 0 DEADHO O=C(c1ccc2c(c1)CNC2)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662594837 425690114 /nfs/dbraw/zinc/69/01/14/425690114.db2.gz SBQRLIDZNZYUGV-QGZVFWFLSA-N 1 3 313.445 2.142 20 0 DEADHO C[C@H](CC(=O)N[C@H]1CCCN2CCCC[C@@H]12)C1CC[NH2+]CC1 ZINC000662836801 425744298 /nfs/dbraw/zinc/74/42/98/425744298.db2.gz DMGCHALXPIRCLM-PVAVHDDUSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc2c(s1)CCNC2 ZINC000662694789 425713735 /nfs/dbraw/zinc/71/37/35/425713735.db2.gz SQTBBOBQGZQDJR-ZDUSSCGKSA-N 1 3 321.490 2.244 20 0 DEADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cccc2c1CCNC2 ZINC000662712987 425720044 /nfs/dbraw/zinc/72/00/44/425720044.db2.gz WKDNUQLSNLVCQW-HUUCEWRRSA-N 1 3 315.461 2.325 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc3c2CCNC3)[C@H](C)C1 ZINC000662744732 425726358 /nfs/dbraw/zinc/72/63/58/425726358.db2.gz GTHOBQKPGQNSDD-KDOFPFPSSA-N 1 3 315.461 2.135 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc3c2CCNC3)[C@H](C)C1 ZINC000662744732 425726362 /nfs/dbraw/zinc/72/63/62/425726362.db2.gz GTHOBQKPGQNSDD-KDOFPFPSSA-N 1 3 315.461 2.135 20 0 DEADHO CC(C)C1CCC(N2CCN(C(=O)CC3([NH3+])CC3)CC2)CC1 ZINC000662748927 425728794 /nfs/dbraw/zinc/72/87/94/425728794.db2.gz FPYBULBCEVOUAN-UHFFFAOYSA-N 1 3 307.482 2.227 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000660286118 425784428 /nfs/dbraw/zinc/78/44/28/425784428.db2.gz UEXNAMOCYMCNGA-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO CCO[C@@H]1C[C@H](NC[C@@H](O)C[N@H+](C)C(C)C)C1(CC)CC ZINC000660313008 425789967 /nfs/dbraw/zinc/78/99/67/425789967.db2.gz OWMWODDVIIZUIU-OWCLPIDISA-N 1 3 300.487 2.261 20 0 DEADHO CCO[C@@H]1C[C@H](NC[C@@H](O)C[N@@H+](C)C(C)C)C1(CC)CC ZINC000660313008 425789970 /nfs/dbraw/zinc/78/99/70/425789970.db2.gz OWMWODDVIIZUIU-OWCLPIDISA-N 1 3 300.487 2.261 20 0 DEADHO O=C(NCCN1CCCCC1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000656551635 425791794 /nfs/dbraw/zinc/79/17/94/425791794.db2.gz NHALSUVNLFZREH-MRXNPFEDSA-N 1 3 322.497 2.179 20 0 DEADHO O=C(NCCN1CCCCC1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000656551635 425791799 /nfs/dbraw/zinc/79/17/99/425791799.db2.gz NHALSUVNLFZREH-MRXNPFEDSA-N 1 3 322.497 2.179 20 0 DEADHO [NH3+]CC1(CC(=O)N[C@@H]2CCCN3CCCC[C@H]23)CCCCC1 ZINC000662840012 425746167 /nfs/dbraw/zinc/74/61/67/425746167.db2.gz WOFMPFKVMXXWLT-HZPDHXFCSA-N 1 3 307.482 2.419 20 0 DEADHO CC1(C)CCCN[C@H]1C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662838524 425746340 /nfs/dbraw/zinc/74/63/40/425746340.db2.gz HWVBGCXYDDOQKZ-CVEARBPZSA-N 1 3 307.482 2.003 20 0 DEADHO C[C@@H]1CCCN(C(=O)c2cccc3c2CNC3)[C@@H]1CCC[NH3+] ZINC000662892432 425758060 /nfs/dbraw/zinc/75/80/60/425758060.db2.gz HZXXURDTYMJQGD-CXAGYDPISA-N 1 3 301.434 2.269 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCN(C3CCOCC3)C[C@@H]2C)C1 ZINC000660434590 425813067 /nfs/dbraw/zinc/81/30/67/425813067.db2.gz CCNSMXIPOCHQOB-KSZLIROESA-N 1 3 323.525 2.149 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCN2CCN(C3CCOCC3)C[C@@H]2C)C1 ZINC000660434590 425813069 /nfs/dbraw/zinc/81/30/69/425813069.db2.gz CCNSMXIPOCHQOB-KSZLIROESA-N 1 3 323.525 2.149 20 0 DEADHO C[C@H]1CCC[N@H+](CCNCCC(=O)N(C)c2ccccc2)C1 ZINC000663283916 425825293 /nfs/dbraw/zinc/82/52/93/425825293.db2.gz OQPPIRDJJBWHGF-INIZCTEOSA-N 1 3 303.450 2.361 20 0 DEADHO C[C@H]1CCC[N@@H+](CCNCCC(=O)N(C)c2ccccc2)C1 ZINC000663283916 425825296 /nfs/dbraw/zinc/82/52/96/425825296.db2.gz OQPPIRDJJBWHGF-INIZCTEOSA-N 1 3 303.450 2.361 20 0 DEADHO CCN(C(=O)NC[C@H](c1ccccc1)N(C)C)[C@H]1CC[N@H+](C)C1 ZINC000663417702 425837143 /nfs/dbraw/zinc/83/71/43/425837143.db2.gz XNKBRQHJSYORRZ-DLBZAZTESA-N 1 3 318.465 2.025 20 0 DEADHO CCN(C(=O)NC[C@H](c1ccccc1)N(C)C)[C@H]1CC[N@@H+](C)C1 ZINC000663417702 425837144 /nfs/dbraw/zinc/83/71/44/425837144.db2.gz XNKBRQHJSYORRZ-DLBZAZTESA-N 1 3 318.465 2.025 20 0 DEADHO CCCC[C@@H](C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000370293317 269081066 /nfs/dbraw/zinc/08/10/66/269081066.db2.gz DWHMZDAJDLJEAV-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)CC2CC[NH2+]CC2)C1 ZINC000370765291 269082464 /nfs/dbraw/zinc/08/24/64/269082464.db2.gz BWKWYARLTZIHJM-SFHVURJKSA-N 1 3 315.461 2.109 20 0 DEADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH2+]C3CCNCC3)C[C@@H]2C1 ZINC000401120934 269112101 /nfs/dbraw/zinc/11/21/01/269112101.db2.gz LLNPKCLQLCTGHW-SQWLQELKSA-N 1 3 323.481 2.364 20 0 DEADHO N[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cc2cccc(F)c2)c2ccccc21 ZINC000423145300 269115450 /nfs/dbraw/zinc/11/54/50/269115450.db2.gz KASDNALXVBFZKR-BMGDILEWSA-N 1 3 300.377 2.464 20 0 DEADHO C[C@H](CNC(=O)OC(C)(C)C)N[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000495689455 269168355 /nfs/dbraw/zinc/16/83/55/269168355.db2.gz TYAZGLOJJKQHIS-TUVASFSCSA-N 1 3 311.470 2.362 20 0 DEADHO C[C@H](CNC(=O)OC(C)(C)C)N[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000495689455 269168356 /nfs/dbraw/zinc/16/83/56/269168356.db2.gz TYAZGLOJJKQHIS-TUVASFSCSA-N 1 3 311.470 2.362 20 0 DEADHO COC(=O)N1CCC(CN[C@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000497085093 269284634 /nfs/dbraw/zinc/28/46/34/269284634.db2.gz WQLMDUWRXRVEES-ZBFHGGJFSA-N 1 3 311.470 2.365 20 0 DEADHO CC[C@H](N[C@H](C[NH3+])C1CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497139111 269290540 /nfs/dbraw/zinc/29/05/40/269290540.db2.gz XMSKVLBIOZMWTM-RRFJBIMHSA-N 1 3 311.470 2.491 20 0 DEADHO CC[C@H](N[C@@H](C[NH3+])C1CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497139112 269290691 /nfs/dbraw/zinc/29/06/91/269290691.db2.gz XMSKVLBIOZMWTM-SOUVJXGZSA-N 1 3 311.470 2.491 20 0 DEADHO C[C@H]1CC[N@H+](CC2(CN)CC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000497151913 269291261 /nfs/dbraw/zinc/29/12/61/269291261.db2.gz VBWXRADRVOCWDD-UONOGXRCSA-N 1 3 311.470 2.208 20 0 DEADHO C[C@H]1CC[N@@H+](CC2(CN)CC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000497151913 269291263 /nfs/dbraw/zinc/29/12/63/269291263.db2.gz VBWXRADRVOCWDD-UONOGXRCSA-N 1 3 311.470 2.208 20 0 DEADHO C[NH+](C)CCCCC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000514962620 269339158 /nfs/dbraw/zinc/33/91/58/269339158.db2.gz ONXVFHAHQUJZKV-GOSISDBHSA-N 1 3 317.477 2.499 20 0 DEADHO CC(C)CC[C@H](O)CNC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000515166576 269345827 /nfs/dbraw/zinc/34/58/27/269345827.db2.gz VPYAYTPLIZIICM-OKZBNKHCSA-N 1 3 312.498 2.141 20 0 DEADHO CC(C)(C)c1n[nH]cc1CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000516632283 269366218 /nfs/dbraw/zinc/36/62/18/269366218.db2.gz NVHPANGWPJHDBQ-JKSUJKDBSA-N 1 3 320.481 2.426 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000271885211 274161900 /nfs/dbraw/zinc/16/19/00/274161900.db2.gz QPNIQPWTEWVELO-AWEZNQCLSA-N 1 3 317.433 2.264 20 0 DEADHO C[C@@H]1CC[C@H](CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)O1 ZINC000423165699 287761478 /nfs/dbraw/zinc/76/14/78/287761478.db2.gz QCJAHOXZQPGIRV-GZOSKZMVSA-N 1 3 302.418 2.399 20 0 DEADHO C(N[C@H](C1CC1)[C@H]1CNCCO1)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423094102 275395803 /nfs/dbraw/zinc/39/58/03/275395803.db2.gz JIXUSDBGYJQCGB-GUDVDZBRSA-N 1 3 321.509 2.140 20 0 DEADHO C(N[C@H](C1CC1)[C@H]1CNCCO1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000423094102 275395804 /nfs/dbraw/zinc/39/58/04/275395804.db2.gz JIXUSDBGYJQCGB-GUDVDZBRSA-N 1 3 321.509 2.140 20 0 DEADHO C([NH2+][C@H](C1CC1)[C@H]1CNCCO1)[C@H]1CCCN1C1CCCCC1 ZINC000423094102 275395805 /nfs/dbraw/zinc/39/58/05/275395805.db2.gz JIXUSDBGYJQCGB-GUDVDZBRSA-N 1 3 321.509 2.140 20 0 DEADHO CC(C)N1CCN(CCC[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000451481352 275950503 /nfs/dbraw/zinc/95/05/03/275950503.db2.gz SYFWGTYRBAJCBG-KZNAEPCWSA-N 1 3 323.525 2.196 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000343571540 276008641 /nfs/dbraw/zinc/00/86/41/276008641.db2.gz BFIREYRIUHVLGN-SJORKVTESA-N 1 3 307.482 2.384 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000343571540 276008642 /nfs/dbraw/zinc/00/86/42/276008642.db2.gz BFIREYRIUHVLGN-SJORKVTESA-N 1 3 307.482 2.384 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCCc3nc(C)sc32)CC1 ZINC000155700699 276199507 /nfs/dbraw/zinc/19/95/07/276199507.db2.gz MLIYKQVBNXOLOM-UKRRQHHQSA-N 1 3 322.522 2.445 20 0 DEADHO CC[N@@H+]1CC[C@H](NC[C@]2(CO)C[C@H]2c2ccccc2)[C@H](C)C1 ZINC000289884149 276229863 /nfs/dbraw/zinc/22/98/63/276229863.db2.gz SFFXNGRHZIOPDL-BVBHFADKSA-N 1 3 302.462 2.473 20 0 DEADHO CC[N@H+]1CC[C@H](NC[C@]2(CO)C[C@H]2c2ccccc2)[C@H](C)C1 ZINC000289884149 276229864 /nfs/dbraw/zinc/22/98/64/276229864.db2.gz SFFXNGRHZIOPDL-BVBHFADKSA-N 1 3 302.462 2.473 20 0 DEADHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000449816533 276393779 /nfs/dbraw/zinc/39/37/79/276393779.db2.gz XZTFRRZSYNTUBR-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000449816533 276393780 /nfs/dbraw/zinc/39/37/80/276393780.db2.gz XZTFRRZSYNTUBR-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C)[C@@H]1CCCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000418669605 276779429 /nfs/dbraw/zinc/77/94/29/276779429.db2.gz JLQUWXVCEFLOAL-SJORKVTESA-N 1 3 318.465 2.202 20 0 DEADHO C[NH+](C)CC1CCN([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000365244225 276783125 /nfs/dbraw/zinc/78/31/25/276783125.db2.gz SHXZFHVQJCGPGI-QGZVFWFLSA-N 1 3 301.434 2.214 20 0 DEADHO COC1([C@@H](C)NC[C@@H](O)C[NH+]2CCC(C)CC2)CCCCC1 ZINC000421828193 277189858 /nfs/dbraw/zinc/18/98/58/277189858.db2.gz BLBDOKBDYPITMB-IAGOWNOFSA-N 1 3 312.498 2.407 20 0 DEADHO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](CCCN3CCCC3)C[C@@H]2C1 ZINC000193498777 277196331 /nfs/dbraw/zinc/19/63/31/277196331.db2.gz VTMOGFQNLLWULB-IYBDPMFKSA-N 1 3 323.481 2.271 20 0 DEADHO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](CCCN3CCCC3)C[C@@H]2C1 ZINC000193498777 277196332 /nfs/dbraw/zinc/19/63/32/277196332.db2.gz VTMOGFQNLLWULB-IYBDPMFKSA-N 1 3 323.481 2.271 20 0 DEADHO C[NH2+][C@@H](C)CNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000261725573 277293585 /nfs/dbraw/zinc/29/35/85/277293585.db2.gz LDOXAIRQEPKISL-JKSUJKDBSA-N 1 3 317.477 2.054 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000448213236 277396333 /nfs/dbraw/zinc/39/63/33/277396333.db2.gz OABXQOFYJHEXTN-GVDBMIGSSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000448213236 277396334 /nfs/dbraw/zinc/39/63/34/277396334.db2.gz OABXQOFYJHEXTN-GVDBMIGSSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H]1C[C@H](CCNC(=O)C2(N)CCC2)C[N@@H+]1Cc1ccccc1 ZINC000423902023 278009829 /nfs/dbraw/zinc/00/98/29/278009829.db2.gz LLUOMGUXPOKXGF-WBVHZDCISA-N 1 3 315.461 2.285 20 0 DEADHO C[C@@H]1C[C@H](CCNC(=O)C2(N)CCC2)C[N@H+]1Cc1ccccc1 ZINC000423902023 278009831 /nfs/dbraw/zinc/00/98/31/278009831.db2.gz LLUOMGUXPOKXGF-WBVHZDCISA-N 1 3 315.461 2.285 20 0 DEADHO CC(=O)NC1CCC([NH2+]C[C@@H]2CCCN(CC(C)C)C2)CC1 ZINC000161694761 278088393 /nfs/dbraw/zinc/08/83/93/278088393.db2.gz IZPQFEGTPFXAOI-AOCRQIFASA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H](CN(C)C[C@@H]1CCCOC1)C[N@H+](C)C[C@H]1CCCOC1 ZINC000346640035 278178420 /nfs/dbraw/zinc/17/84/20/278178420.db2.gz IHGUFMWEQJEHHR-NNZMDNLPSA-N 1 3 312.498 2.339 20 0 DEADHO C[C@@H](CN(C)C[C@@H]1CCCOC1)C[N@@H+](C)C[C@H]1CCCOC1 ZINC000346640035 278178422 /nfs/dbraw/zinc/17/84/22/278178422.db2.gz IHGUFMWEQJEHHR-NNZMDNLPSA-N 1 3 312.498 2.339 20 0 DEADHO C[C@H](CN(C)C[C@H]1CCCOC1)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000346640035 278178423 /nfs/dbraw/zinc/17/84/23/278178423.db2.gz IHGUFMWEQJEHHR-NNZMDNLPSA-N 1 3 312.498 2.339 20 0 DEADHO C[C@H](CN(C)C[C@H]1CCCOC1)C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000346640035 278178424 /nfs/dbraw/zinc/17/84/24/278178424.db2.gz IHGUFMWEQJEHHR-NNZMDNLPSA-N 1 3 312.498 2.339 20 0 DEADHO CC1(C)CCC[NH2+][C@H]1C(=O)N1CCCN(C2CCCC2)CC1 ZINC000423364200 278222430 /nfs/dbraw/zinc/22/24/30/278222430.db2.gz JSWKOEBFICDACC-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CC1(C)CCCN[C@H]1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000423364200 278222432 /nfs/dbraw/zinc/22/24/32/278222432.db2.gz JSWKOEBFICDACC-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CC1(C)CCCN[C@H]1C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000423364200 278222433 /nfs/dbraw/zinc/22/24/33/278222433.db2.gz JSWKOEBFICDACC-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)(C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)[C@@H](N)c1ccccc1 ZINC000332305555 278270343 /nfs/dbraw/zinc/27/03/43/278270343.db2.gz GQMMRRGZWVNREU-YVSFHVDLSA-N 1 3 315.461 2.298 20 0 DEADHO CCC[C@H]1CNCCN1C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000359230607 278959221 /nfs/dbraw/zinc/95/92/21/278959221.db2.gz XNZXYMHFUXWNST-SFHVURJKSA-N 1 3 324.428 2.461 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CCC2(CC[NH2+]C2)CC1 ZINC000431038324 279228449 /nfs/dbraw/zinc/22/84/49/279228449.db2.gz RYPQLEIZLAQYBM-BZUAXINKSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)CN1CCCC1 ZINC000062078831 279346134 /nfs/dbraw/zinc/34/61/34/279346134.db2.gz VRNMYSAUCQWDIQ-CYBMUJFWSA-N 1 3 307.404 2.335 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)N1CCCCC1 ZINC000353388832 279760350 /nfs/dbraw/zinc/76/03/50/279760350.db2.gz QBFBEPVEUAQAAA-ROUUACIJSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@H](C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)[NH+](C)C ZINC000298122569 280686839 /nfs/dbraw/zinc/68/68/39/280686839.db2.gz AZLXVGNLPXIZJZ-HUUCEWRRSA-N 1 3 311.857 2.399 20 0 DEADHO CC1(C)CCCN[C@H]1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000423431524 280998008 /nfs/dbraw/zinc/99/80/08/280998008.db2.gz VNVFNHQDZXCNRR-HOTGVXAUSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000417023223 288327174 /nfs/dbraw/zinc/32/71/74/288327174.db2.gz LQOAYYZLOOGKRT-LSDHHAIUSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000417023223 288327177 /nfs/dbraw/zinc/32/71/77/288327177.db2.gz LQOAYYZLOOGKRT-LSDHHAIUSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CCCN(C2CCCC2)CC1 ZINC000263224775 289189745 /nfs/dbraw/zinc/18/97/45/289189745.db2.gz MQFLSAULCGJRBK-SJLPKXTDSA-N 1 3 307.482 2.371 20 0 DEADHO C[C@H](C(=O)NCC(C)(C)C[NH+]1CCCC1)N1CCCCCC1 ZINC000361399008 289349145 /nfs/dbraw/zinc/34/91/45/289349145.db2.gz XZAXRURZXDJLIR-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000361287359 289566723 /nfs/dbraw/zinc/56/67/23/289566723.db2.gz IDHWUMJOBSRQTP-DLBZAZTESA-N 1 3 324.513 2.425 20 0 DEADHO C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1CCCO1 ZINC000422829158 290031021 /nfs/dbraw/zinc/03/10/21/290031021.db2.gz HFVGIISJBJYXNZ-JXSMBQFASA-N 1 3 302.418 2.399 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000423017127 293261621 /nfs/dbraw/zinc/26/16/21/293261621.db2.gz OCXOCJSPTFSYLL-DXEWXGHRSA-N 1 3 301.434 2.457 20 0 DEADHO COc1cc(OC)c(CCN[C@@H]2CC[NH2+]CC[C@H]2C)c(OC)c1 ZINC000422885499 295005754 /nfs/dbraw/zinc/00/57/54/295005754.db2.gz GUYCQJGHJCJPKY-CZUORRHYSA-N 1 3 322.449 2.233 20 0 DEADHO COc1cc(OC)c(CC[NH2+][C@@H]2CCNCC[C@H]2C)c(OC)c1 ZINC000422885499 295005756 /nfs/dbraw/zinc/00/57/56/295005756.db2.gz GUYCQJGHJCJPKY-CZUORRHYSA-N 1 3 322.449 2.233 20 0 DEADHO COc1ccc(C)cc1C1(CN[C@@H](C)C2C[NH2+]C2)CCOCC1 ZINC000422905161 295104015 /nfs/dbraw/zinc/10/40/15/295104015.db2.gz YRTOVLQVLAFVFT-HNNXBMFYSA-N 1 3 318.461 2.249 20 0 DEADHO COc1ccc(C)cc1C1(C[NH2+][C@@H](C)C2CNC2)CCOCC1 ZINC000422905161 295104016 /nfs/dbraw/zinc/10/40/16/295104016.db2.gz YRTOVLQVLAFVFT-HNNXBMFYSA-N 1 3 318.461 2.249 20 0 DEADHO [NH3+]CC1(CC(=O)N2CC[C@@H](N3CCCCC3)C2)CCCCC1 ZINC000262077364 295222114 /nfs/dbraw/zinc/22/21/14/295222114.db2.gz GRHWPGWQQMXLMD-MRXNPFEDSA-N 1 3 307.482 2.373 20 0 DEADHO COc1ccc([C@@H]2CCNC[C@@H]2[NH2+][C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000423338362 295225080 /nfs/dbraw/zinc/22/50/80/295225080.db2.gz RLCJHCGKFUVTFJ-CBVHJVASSA-N 1 3 317.477 2.213 20 0 DEADHO COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)N ZINC000423044593 295258535 /nfs/dbraw/zinc/25/85/35/295258535.db2.gz BPLHUQZJXCWQNX-SVYNMNNPSA-N 1 3 318.461 2.457 20 0 DEADHO C[C@H](C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)N1CCCCCC1 ZINC000372768935 298042589 /nfs/dbraw/zinc/04/25/89/298042589.db2.gz MVELUWAXEYDHKX-IXDOHACOSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H](C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)N1CCCCCC1 ZINC000372768935 298042592 /nfs/dbraw/zinc/04/25/92/298042592.db2.gz MVELUWAXEYDHKX-IXDOHACOSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H](C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1)C1C[NH2+]C1 ZINC000262440182 298163520 /nfs/dbraw/zinc/16/35/20/298163520.db2.gz UUVAVRAHKDJYBI-WOSRLPQWSA-N 1 3 321.490 2.103 20 0 DEADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCC(C)(C)[NH3+])N(C)C ZINC000418182626 302138749 /nfs/dbraw/zinc/13/87/49/302138749.db2.gz NBVXTQQLIYXOJF-DZGCQCFKSA-N 1 3 306.454 2.023 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CNCc2ccccc21)[NH+]1CCC(C)CC1 ZINC000567608625 325829063 /nfs/dbraw/zinc/82/90/63/325829063.db2.gz GFEAGVKXWTZWLS-QAPCUYQASA-N 1 3 315.461 2.110 20 0 DEADHO CN(C)CC1(NC(=O)c2ccc(CC[NH+](C)C)cc2)CCC1 ZINC000572734096 325973982 /nfs/dbraw/zinc/97/39/82/325973982.db2.gz VHZNPCLDFUEQNS-UHFFFAOYSA-N 1 3 303.450 2.005 20 0 DEADHO CCc1cccc(OC[C@@H](O)C[NH2+][C@H](C)C2=CCN(C)CC2)c1 ZINC000573112080 326025171 /nfs/dbraw/zinc/02/51/71/326025171.db2.gz ILQJSATXAUWLFA-QAPCUYQASA-N 1 3 318.461 2.229 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H]2CC[NH2+][C@@H]2C)N2CCCC2)cc1 ZINC000573320883 326045498 /nfs/dbraw/zinc/04/54/98/326045498.db2.gz PMZNFMGKLQMVNH-NJAFHUGGSA-N 1 3 315.461 2.246 20 0 DEADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cccc(N2CCOCC2)c1 ZINC000574803553 326187772 /nfs/dbraw/zinc/18/77/72/326187772.db2.gz LRYSVYZPYUSKGB-BMGDILEWSA-N 1 3 303.450 2.444 20 0 DEADHO Fc1ccc([C@@H](NCC[C@H]2CCC[NH2+]C2)c2c[nH]nn2)cc1 ZINC000576626439 326306961 /nfs/dbraw/zinc/30/69/61/326306961.db2.gz FOYQSFYPXAXMOQ-MLGOLLRUSA-N 1 3 303.385 2.013 20 0 DEADHO CN1CCN(CCCC[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000577052608 326338993 /nfs/dbraw/zinc/33/89/93/326338993.db2.gz HNBQPNSRWZLNCA-RTBURBONSA-N 1 3 301.478 2.407 20 0 DEADHO CCc1cc(N2CCC[C@H]([NH2+][C@@H]3CCCC[C@@H]3CN)C2)ncn1 ZINC000584285781 332212883 /nfs/dbraw/zinc/21/28/83/332212883.db2.gz RMODPOCIEOSMIM-HYVNUMGLSA-N 1 3 317.481 2.115 20 0 DEADHO CCc1cc(N2CCC[C@H](N[C@@H]3CCCC[C@@H]3C[NH3+])C2)ncn1 ZINC000584285781 332212884 /nfs/dbraw/zinc/21/28/84/332212884.db2.gz RMODPOCIEOSMIM-HYVNUMGLSA-N 1 3 317.481 2.115 20 0 DEADHO Fc1ccc(-n2cc(CNCC[C@H]3CC[NH2+]C3)nn2)cc1Cl ZINC000582533948 337106130 /nfs/dbraw/zinc/10/61/30/337106130.db2.gz RRMQWTOWUQSYLN-LLVKDONJSA-N 1 3 323.803 2.149 20 0 DEADHO C[C@@H](CC(=O)Nc1cccc2c1CCNC2)[C@@H]1CCC[NH2+]C1 ZINC000583252341 337289955 /nfs/dbraw/zinc/28/99/55/337289955.db2.gz CGWUTKNHIVSENE-UONOGXRCSA-N 1 3 301.434 2.297 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CC[NH2+]C1CC1 ZINC000398116403 337306160 /nfs/dbraw/zinc/30/61/60/337306160.db2.gz FWENTTUHAPKUOW-MAUKXSAKSA-N 1 3 315.461 2.155 20 0 DEADHO Cc1cnc(CCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000584523847 337355400 /nfs/dbraw/zinc/35/54/00/337355400.db2.gz AWOKTRLZAWNSLP-PKOBYXMFSA-N 1 3 324.428 2.173 20 0 DEADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C)C[C@H](C)[NH3+])N(C)C)cc1 ZINC000580548686 341874714 /nfs/dbraw/zinc/87/47/14/341874714.db2.gz COIOIFYICDWVKS-DZKIICNBSA-N 1 3 306.454 2.023 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCCC(C)C)C[C@@H]2C1)N(C)C ZINC001376418354 1159398024 /nfs/dbraw/zinc/39/80/24/1159398024.db2.gz PCPWHQOIHMZZBQ-BBWFWOEESA-N 1 3 309.498 2.153 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCCC(C)C)C[C@@H]2C1)N(C)C ZINC001376418354 1159398031 /nfs/dbraw/zinc/39/80/31/1159398031.db2.gz PCPWHQOIHMZZBQ-BBWFWOEESA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]CC[C@@H]1CCCC1(F)F ZINC001376885698 1159832645 /nfs/dbraw/zinc/83/26/45/1159832645.db2.gz WJTXNJFAUMLTDO-KBPBESRZSA-N 1 3 319.440 2.246 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001397092417 1159973014 /nfs/dbraw/zinc/97/30/14/1159973014.db2.gz MSGUYFYCNFXITD-MZFDWIPLSA-N 1 3 313.873 2.096 20 0 DEADHO CC[C@H](C(=O)NC1(C[NH2+]CC[C@@H](C)F)CCCCC1)N(C)C ZINC001329829913 1149001583 /nfs/dbraw/zinc/00/15/83/1149001583.db2.gz VJOYODJVXMMVLB-HUUCEWRRSA-N 1 3 315.477 2.483 20 0 DEADHO CC(C)(C(=O)NCC[C@@H]1CCN(CCF)C1)[NH+]1CCCCC1 ZINC001377697093 1160745359 /nfs/dbraw/zinc/74/53/59/1160745359.db2.gz ORRILMUVNRLYPB-OAHLLOKOSA-N 1 3 313.461 2.049 20 0 DEADHO Cc1ccc(F)c(CNC[C@H]2CCCN2C(=O)CC[NH+](C)C)c1 ZINC001378505214 1152354423 /nfs/dbraw/zinc/35/44/23/1152354423.db2.gz LQBCRTBTEHHZLQ-MRXNPFEDSA-N 1 3 321.440 2.166 20 0 DEADHO CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001398471017 1160904382 /nfs/dbraw/zinc/90/43/82/1160904382.db2.gz JEDFKMOWEQKALJ-IRXDYDNUSA-N 1 3 309.498 2.299 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)CCC)C[C@H]2C1 ZINC001378778984 1152444230 /nfs/dbraw/zinc/44/42/30/1152444230.db2.gz HTTBEDOABGLXBT-YESZJQIVSA-N 1 3 309.498 2.345 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)CCC)C[C@H]2C1 ZINC001378778984 1152444231 /nfs/dbraw/zinc/44/42/31/1152444231.db2.gz HTTBEDOABGLXBT-YESZJQIVSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000417337283 533828900 /nfs/dbraw/zinc/82/89/00/533828900.db2.gz XKUVPKRQMQURPE-QAETUUGQSA-N 1 3 324.513 2.171 20 0 DEADHO C[C@H](NCC1(N(C)C)Cc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422789052 533832478 /nfs/dbraw/zinc/83/24/78/533832478.db2.gz SYIZTMCVLJGHBI-MAUKXSAKSA-N 1 3 301.478 2.206 20 0 DEADHO C[C@H]([NH2+]CC1(N(C)C)CC1)c1ccc(OCCN(C)C)cc1 ZINC000417356028 533833432 /nfs/dbraw/zinc/83/34/32/533833432.db2.gz OXIZUAWEEGKCEX-HNNXBMFYSA-N 1 3 305.466 2.372 20 0 DEADHO C[C@H](NC[C@H]1CC(=O)N(Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423015778 533901898 /nfs/dbraw/zinc/90/18/98/533901898.db2.gz RSFTVUDYLVKWBO-JQHSSLGASA-N 1 3 315.461 2.155 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@@H]2C(CNC(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001330308544 1149089996 /nfs/dbraw/zinc/08/99/96/1149089996.db2.gz ICZGYFAQONZBBU-WSLCHXOHSA-N 1 3 321.509 2.223 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@@H]2C(CNC(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001330308544 1149090002 /nfs/dbraw/zinc/09/00/02/1149090002.db2.gz ICZGYFAQONZBBU-WSLCHXOHSA-N 1 3 321.509 2.223 20 0 DEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000423136422 534068605 /nfs/dbraw/zinc/06/86/05/534068605.db2.gz ZALNZXIGCCQGDS-YPMHNXCESA-N 1 3 315.259 2.013 20 0 DEADHO C[C@@H]1CCN[C@H](C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000417833787 534107587 /nfs/dbraw/zinc/10/75/87/534107587.db2.gz UUVVXCDLLLDXSW-RNCFNFMXSA-N 1 3 315.339 2.491 20 0 DEADHO C[C@H](CNC(=O)NC[C@@H]1N(C)CCCC1(C)C)C[NH+]1CCCC1 ZINC000447951687 534108256 /nfs/dbraw/zinc/10/82/56/534108256.db2.gz NKFCQJWJLHQOSS-CVEARBPZSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)N(CCC[NH3+])CC2CCCC2)CCCN1C ZINC000417995000 534241098 /nfs/dbraw/zinc/24/10/98/534241098.db2.gz CSYIJABLKKTZCK-ZBFHGGJFSA-N 1 3 310.486 2.020 20 0 DEADHO CC(C)=CCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000365053877 519408552 /nfs/dbraw/zinc/40/85/52/519408552.db2.gz QFDNKPYIUXXBSG-UHFFFAOYSA-N 1 3 322.497 2.201 20 0 DEADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CCC[C@@H]3[NH3+])cc2)C[C@H](C)O1 ZINC000422806032 534472944 /nfs/dbraw/zinc/47/29/44/534472944.db2.gz HQKONPDNSJESHP-QGWWYQLQSA-N 1 3 317.477 2.265 20 0 DEADHO C[C@@H]1CN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3N)cc2)C[C@H](C)O1 ZINC000422806032 534472951 /nfs/dbraw/zinc/47/29/51/534472951.db2.gz HQKONPDNSJESHP-QGWWYQLQSA-N 1 3 317.477 2.265 20 0 DEADHO Fc1ccc(OCCCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422783814 534484089 /nfs/dbraw/zinc/48/40/89/534484089.db2.gz OUIACJLRKRQAGE-FGTMMUONSA-N 1 3 322.424 2.341 20 0 DEADHO CC1CCN(CCNC(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000337364385 521010113 /nfs/dbraw/zinc/01/01/13/521010113.db2.gz KGSCBHQUILXIIU-UHFFFAOYSA-N 1 3 324.513 2.282 20 0 DEADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H](C)C[NH2+]C ZINC000246167473 521231369 /nfs/dbraw/zinc/23/13/69/521231369.db2.gz AXDFUBGMOAGOBH-SJLPKXTDSA-N 1 3 317.477 2.213 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000111439150 521592914 /nfs/dbraw/zinc/59/29/14/521592914.db2.gz UOEUCYYNTOFTRF-MRXNPFEDSA-N 1 3 310.486 2.033 20 0 DEADHO CN(C)Cc1cccc(C(=O)N(C)CC2CC[NH+](C)CC2)c1 ZINC000156232125 521911049 /nfs/dbraw/zinc/91/10/49/521911049.db2.gz HUSZGILNTXMMJG-UHFFFAOYSA-N 1 3 303.450 2.162 20 0 DEADHO [NH3+]CCC[C@@H](NC(=O)c1ccc2c(c1)CNC2)c1ccccc1 ZINC000417825936 534621017 /nfs/dbraw/zinc/62/10/17/534621017.db2.gz CVBGUYFZPBPILF-GOSISDBHSA-N 1 3 309.413 2.500 20 0 DEADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H](CNC(=O)c2ccco2)C1 ZINC000338380515 523847309 /nfs/dbraw/zinc/84/73/09/523847309.db2.gz KSFGIXCTWSVIGJ-CVEARBPZSA-N 1 3 319.449 2.206 20 0 DEADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H](CNC(=O)c2ccco2)C1 ZINC000338380515 523847313 /nfs/dbraw/zinc/84/73/13/523847313.db2.gz KSFGIXCTWSVIGJ-CVEARBPZSA-N 1 3 319.449 2.206 20 0 DEADHO COC(C)(C)[C@H](C)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000340191743 536491257 /nfs/dbraw/zinc/49/12/57/536491257.db2.gz VXKBMTCDVXILQU-INIZCTEOSA-N 1 3 319.493 2.337 20 0 DEADHO CC(=O)c1ccc(CN(C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000297361079 527275034 /nfs/dbraw/zinc/27/50/34/527275034.db2.gz CAKVEOSPFYGYDR-OAHLLOKOSA-N 1 3 318.461 2.414 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)[C@H](N)c1ccccc1 ZINC000417830306 527522971 /nfs/dbraw/zinc/52/29/71/527522971.db2.gz JDUCLERQYFPTOW-VNQPRFMTSA-N 1 3 303.450 2.346 20 0 DEADHO CC(C)CC[NH+]1CCC(CNC(=O)N2C[C@@H](C)NC[C@H]2C)CC1 ZINC000417857804 527722962 /nfs/dbraw/zinc/72/29/62/527722962.db2.gz YHBKTVAUPZEYDH-HZPDHXFCSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CCN[C@H](C)[C@H]2C)CC1 ZINC000417856030 527723100 /nfs/dbraw/zinc/72/31/00/527723100.db2.gz WAWQHSMVFNVVIZ-HZPDHXFCSA-N 1 3 324.513 2.136 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)C[C@H]1C ZINC000441291497 527823766 /nfs/dbraw/zinc/82/37/66/527823766.db2.gz WSUHIOMGQDYKDF-ANQUJSFKSA-N 1 3 322.497 2.126 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)C[C@H]1C ZINC000441291497 527823771 /nfs/dbraw/zinc/82/37/71/527823771.db2.gz WSUHIOMGQDYKDF-ANQUJSFKSA-N 1 3 322.497 2.126 20 0 DEADHO CCC[C@H](C)C(=O)NCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297375328 528013535 /nfs/dbraw/zinc/01/35/35/528013535.db2.gz IBIXPAJOFHQNIG-HNNXBMFYSA-N 1 3 318.465 2.192 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000418239159 528312201 /nfs/dbraw/zinc/31/22/01/528312201.db2.gz PWKZXYVFUOKTNH-IKGGRYGDSA-N 1 3 324.513 2.266 20 0 DEADHO CC[NH2+][C@H](C)CNC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000417625222 528405164 /nfs/dbraw/zinc/40/51/64/528405164.db2.gz LSGMFJWSEFTKNL-CABCVRRESA-N 1 3 320.481 2.413 20 0 DEADHO CCCOc1ccc(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1OC ZINC000422824583 528689169 /nfs/dbraw/zinc/68/91/69/528689169.db2.gz HKCYRSFZVLZYOB-VNQPRFMTSA-N 1 3 322.449 2.326 20 0 DEADHO CCC(CC)C(=O)N1CCC([NH2+][C@H]2CCNCC[C@@H]2C)CC1 ZINC000422699188 528720829 /nfs/dbraw/zinc/72/08/29/528720829.db2.gz AINDESKUBCXUCS-YOEHRIQHSA-N 1 3 309.498 2.391 20 0 DEADHO CCN(Cc1ccc(C(=O)N2CCC([NH3+])CC2)cc1)C1CC1 ZINC000428790548 528773368 /nfs/dbraw/zinc/77/33/68/528773368.db2.gz QXCJWUHDANOQSW-UHFFFAOYSA-N 1 3 301.434 2.234 20 0 DEADHO CCOCCOCc1cccc(C[NH2+][C@@H]2CNCC[C@H]2C)c1 ZINC000422859936 528812134 /nfs/dbraw/zinc/81/21/34/528812134.db2.gz KREUPQCSXNRQBN-CRAIPNDOSA-N 1 3 306.450 2.327 20 0 DEADHO CCC(CC)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)N1CCOCC1 ZINC000422816061 528855718 /nfs/dbraw/zinc/85/57/18/528855718.db2.gz DDFMEQNRUPNRFD-KURKYZTESA-N 1 3 311.514 2.231 20 0 DEADHO CCC(CC)[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])N1CCOCC1 ZINC000422816061 528855725 /nfs/dbraw/zinc/85/57/25/528855725.db2.gz DDFMEQNRUPNRFD-KURKYZTESA-N 1 3 311.514 2.231 20 0 DEADHO CCCC[C@H](C[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000418467114 528935247 /nfs/dbraw/zinc/93/52/47/528935247.db2.gz ONZUIJJAMLLAMB-OAHLLOKOSA-N 1 3 324.469 2.179 20 0 DEADHO CCCC[C@H](C[NH3+])NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000418437471 528937118 /nfs/dbraw/zinc/93/71/18/528937118.db2.gz CXWXXCFUHOIBTR-HUUCEWRRSA-N 1 3 310.486 2.020 20 0 DEADHO CCC([NH3+])(CC)CNC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000417990966 528940670 /nfs/dbraw/zinc/94/06/70/528940670.db2.gz VCEZZUSGHWLXMM-OAHLLOKOSA-N 1 3 320.481 2.324 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000429316736 528989776 /nfs/dbraw/zinc/98/97/76/528989776.db2.gz WJUATSUYNVBVME-UHFFFAOYSA-N 1 3 301.434 2.391 20 0 DEADHO CC(C)N1CC[C@H](N(C)C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000418452841 529074162 /nfs/dbraw/zinc/07/41/62/529074162.db2.gz YHTOHALCTDFKKF-KRWDZBQOSA-N 1 3 324.513 2.423 20 0 DEADHO CCN1CCN(Cc2ccc(N[C@@H](C)[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000422922832 529149476 /nfs/dbraw/zinc/14/94/76/529149476.db2.gz QVXQNEREDIJQLD-FUHWJXTLSA-N 1 3 316.493 2.234 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)N(C)C1CC[NH2+]CC1)c1ccco1 ZINC000418170013 529181876 /nfs/dbraw/zinc/18/18/76/529181876.db2.gz RAEFVBHIKPXANG-ZFWWWQNUSA-N 1 3 322.453 2.102 20 0 DEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H](C2CC2)[C@@H]2CNCCO2)C1 ZINC000422911639 529298211 /nfs/dbraw/zinc/29/82/11/529298211.db2.gz UBGSOVAFWMPHAC-NJAFHUGGSA-N 1 3 323.525 2.244 20 0 DEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H](C2CC2)[C@@H]2CNCCO2)C1 ZINC000422911639 529298213 /nfs/dbraw/zinc/29/82/13/529298213.db2.gz UBGSOVAFWMPHAC-NJAFHUGGSA-N 1 3 323.525 2.244 20 0 DEADHO CCCN1CCN(c2ccccc2CN2CCC[C@H]([NH3+])C2)CC1 ZINC000346072590 534935343 /nfs/dbraw/zinc/93/53/43/534935343.db2.gz LNFIPOOWQBYSBE-SFHVURJKSA-N 1 3 316.493 2.142 20 0 DEADHO CCCN(C)CC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000358593756 535251059 /nfs/dbraw/zinc/25/10/59/535251059.db2.gz QHPLHDRXPIZPOY-UHFFFAOYSA-N 1 3 305.466 2.485 20 0 DEADHO CCCN(C)CC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000358593756 535251064 /nfs/dbraw/zinc/25/10/64/535251064.db2.gz QHPLHDRXPIZPOY-UHFFFAOYSA-N 1 3 305.466 2.485 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000349524600 535331025 /nfs/dbraw/zinc/33/10/25/535331025.db2.gz LZXUUXIZKJJCOG-UHFFFAOYSA-N 1 3 324.513 2.378 20 0 DEADHO CCC[C@@H]1C[C@@H]1C(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000360156852 535451734 /nfs/dbraw/zinc/45/17/34/535451734.db2.gz RILZJHYOFCENGM-IKGGRYGDSA-N 1 3 309.498 2.297 20 0 DEADHO CCC[C@@H]1C[C@@H]1C(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000360156852 535451737 /nfs/dbraw/zinc/45/17/37/535451737.db2.gz RILZJHYOFCENGM-IKGGRYGDSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C)[C@@H]1CCCCN1CC(=O)NC1CC[NH+](CC)CC1 ZINC000362482460 535701885 /nfs/dbraw/zinc/70/18/85/535701885.db2.gz DQEQKSFXJXIKLK-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CCc1cccc(NC(=[NH2+])NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000360572869 535894154 /nfs/dbraw/zinc/89/41/54/535894154.db2.gz NLMZIAPAFJNWCL-CVEARBPZSA-N 1 3 302.422 2.048 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000371245774 536022678 /nfs/dbraw/zinc/02/26/78/536022678.db2.gz YOCIUECEEXNWEF-SFHVURJKSA-N 1 3 315.461 2.352 20 0 DEADHO CN1CCC(CC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000368276672 536335867 /nfs/dbraw/zinc/33/58/67/536335867.db2.gz LUZITBDNYSKYSS-KRWDZBQOSA-N 1 3 307.482 2.195 20 0 DEADHO COc1cc(C)ccc1CN(C)CCC[N@H+](C)CCN(C)C ZINC000449330042 536646251 /nfs/dbraw/zinc/64/62/51/536646251.db2.gz RGEWQTAWDJRTSW-UHFFFAOYSA-N 1 3 307.482 2.319 20 0 DEADHO COc1cc(C)ccc1CN(C)CCC[N@@H+](C)CCN(C)C ZINC000449330042 536646257 /nfs/dbraw/zinc/64/62/57/536646257.db2.gz RGEWQTAWDJRTSW-UHFFFAOYSA-N 1 3 307.482 2.319 20 0 DEADHO Cc1ccc([C@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000292161143 538140592 /nfs/dbraw/zinc/14/05/92/538140592.db2.gz VBDXPZVKMDZRMH-IRXDYDNUSA-N 1 3 303.450 2.246 20 0 DEADHO CC[C@H](C(=O)NC[C@H]([NH2+]CC1CC(C)(C)C1)C(C)C)N(C)C ZINC001378999742 1152524252 /nfs/dbraw/zinc/52/42/52/1152524252.db2.gz NOAOWOVOJOCRCC-JKSUJKDBSA-N 1 3 311.514 2.493 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]([NH2+]CC1CC(C)(C)C1)C(C)C)N(C)C ZINC001378999732 1152524309 /nfs/dbraw/zinc/52/43/09/1152524309.db2.gz NOAOWOVOJOCRCC-HOTGVXAUSA-N 1 3 311.514 2.493 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC2CCCC2)C(C)(C)C1 ZINC001425971317 1174545910 /nfs/dbraw/zinc/54/59/10/1174545910.db2.gz KKZUYNOESQAEDN-INIZCTEOSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CCC1CC1 ZINC001369752462 1149143490 /nfs/dbraw/zinc/14/34/90/1149143490.db2.gz RETUKYPCXOJWJO-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)N(C)CC[N@H+](C)[C@@H]1CCc2ccccc21)N(C)C ZINC001379078346 1152559206 /nfs/dbraw/zinc/55/92/06/1152559206.db2.gz RPEWVXWCEHRSNA-QZTJIDSGSA-N 1 3 317.477 2.404 20 0 DEADHO CC[C@H](C(=O)N(C)CC[N@@H+](C)[C@@H]1CCc2ccccc21)N(C)C ZINC001379078346 1152559209 /nfs/dbraw/zinc/55/92/09/1152559209.db2.gz RPEWVXWCEHRSNA-QZTJIDSGSA-N 1 3 317.477 2.404 20 0 DEADHO C[C@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001379098578 1152567412 /nfs/dbraw/zinc/56/74/12/1152567412.db2.gz NLLVODZGYXQEFM-IAGOWNOFSA-N 1 3 317.477 2.480 20 0 DEADHO C[C@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001379098578 1152567416 /nfs/dbraw/zinc/56/74/16/1152567416.db2.gz NLLVODZGYXQEFM-IAGOWNOFSA-N 1 3 317.477 2.480 20 0 DEADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1cccc(C)c1)N(C)C ZINC001368740618 1148629917 /nfs/dbraw/zinc/62/99/17/1148629917.db2.gz FFRQFGMBOGUZHV-DOTOQJQBSA-N 1 3 305.466 2.320 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)CN(C)C1CCC1 ZINC001379151387 1152582326 /nfs/dbraw/zinc/58/23/26/1152582326.db2.gz UMCZPSNOZZGLHP-INIZCTEOSA-N 1 3 317.477 2.416 20 0 DEADHO CCCN1CCc2ccccc2[C@H]1CNC(=O)CCC[NH+](C)C ZINC001368753766 1148638470 /nfs/dbraw/zinc/63/84/70/1148638470.db2.gz JWCBQFVFDHZJGB-GOSISDBHSA-N 1 3 317.477 2.454 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1 ZINC001379326790 1152609173 /nfs/dbraw/zinc/60/91/73/1152609173.db2.gz JBFRPSUNHFRQSC-WMZOPIPTSA-N 1 3 317.477 2.498 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]Cc1cc(C)sc1C ZINC001379594437 1152648367 /nfs/dbraw/zinc/64/83/67/1152648367.db2.gz GFWYLIREOIJCNI-LBPRGKRZSA-N 1 3 311.495 2.301 20 0 DEADHO CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001008053520 625317536 /nfs/dbraw/zinc/31/75/36/625317536.db2.gz VJBIRNPDMHIEBI-IAGOWNOFSA-N 1 3 307.482 2.242 20 0 DEADHO CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001008053520 625317543 /nfs/dbraw/zinc/31/75/43/625317543.db2.gz VJBIRNPDMHIEBI-IAGOWNOFSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@@H]1NCCCC(=O)N1Cc2ccccc2C1 ZINC000925599417 625437447 /nfs/dbraw/zinc/43/74/47/625437447.db2.gz YWYRMSODDXWLSY-YOEHRIQHSA-N 1 3 301.434 2.039 20 0 DEADHO CC[C@@H](NCC1CC[NH+](C)CC1)c1nnc2n1CCCCC2 ZINC000892791192 625604869 /nfs/dbraw/zinc/60/48/69/625604869.db2.gz LQGLPSDVVSAMOL-OAHLLOKOSA-N 1 3 305.470 2.387 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCC2CC2)C1 ZINC000969794039 622924300 /nfs/dbraw/zinc/92/43/00/622924300.db2.gz ULQSITKTSNNAKX-YOEHRIQHSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2F)C1 ZINC001020586356 622924727 /nfs/dbraw/zinc/92/47/27/622924727.db2.gz MASWXTSLZFBBRU-FVQBIDKESA-N 1 3 319.424 2.047 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001020586412 622927462 /nfs/dbraw/zinc/92/74/62/622927462.db2.gz NSWUBVAXXMNXML-FVQBIDKESA-N 1 3 307.482 2.144 20 0 DEADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3)C2)C1 ZINC001020592049 622930671 /nfs/dbraw/zinc/93/06/71/622930671.db2.gz ZDNOMZFDRQZDCK-QAQDUYKDSA-N 1 3 315.461 2.155 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1)N(C)C ZINC000969985059 623037944 /nfs/dbraw/zinc/03/79/44/623037944.db2.gz AULWJQJTVHCVCD-MSOLQXFVSA-N 1 3 317.477 2.334 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1)N(C)C ZINC000969985425 623038378 /nfs/dbraw/zinc/03/83/78/623038378.db2.gz HOBAVPCLUZHIBH-XKQJLSEDSA-N 1 3 321.440 2.417 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC2CCC(C)CC2)C1)N(C)C ZINC000969986446 623038780 /nfs/dbraw/zinc/03/87/80/623038780.db2.gz ZLQZEAMGHNYEOW-BACDZXNISA-N 1 3 309.498 2.343 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC2)C1 ZINC001021090794 623336452 /nfs/dbraw/zinc/33/64/52/623336452.db2.gz LLNIFMMQIAECSB-QAQDUYKDSA-N 1 3 315.461 2.399 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]([NH2+]CCC2CC2)C1 ZINC000970789208 623682847 /nfs/dbraw/zinc/68/28/47/623682847.db2.gz UWVYAPJQANITMC-QGZVFWFLSA-N 1 3 315.461 2.352 20 0 DEADHO C[C@H](NC(=O)c1ccccc1CN(C)C)C1C[NH+](CC2CC2)C1 ZINC000970928373 623797368 /nfs/dbraw/zinc/79/73/68/623797368.db2.gz JVQTYVJOSPAVIT-AWEZNQCLSA-N 1 3 315.461 2.208 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CC2)C1 ZINC001024278671 625686375 /nfs/dbraw/zinc/68/63/75/625686375.db2.gz QNNFUSWEEKXFHJ-DLBZAZTESA-N 1 3 307.482 2.099 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]2C[N@H+](CC3CCC3)CC[C@H]21 ZINC001021679507 623946678 /nfs/dbraw/zinc/94/66/78/623946678.db2.gz ONLHJUULQFQVFM-DOTOQJQBSA-N 1 3 316.449 2.065 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]2C[N@@H+](CC3CCC3)CC[C@H]21 ZINC001021679507 623946680 /nfs/dbraw/zinc/94/66/80/623946680.db2.gz ONLHJUULQFQVFM-DOTOQJQBSA-N 1 3 316.449 2.065 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)NCCC(C)(C)[NH3+])N(C)C)cc1 ZINC000891322128 624002791 /nfs/dbraw/zinc/00/27/91/624002791.db2.gz JSOXHVFXNKPIDV-MRXNPFEDSA-N 1 3 320.481 2.278 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001026735116 625699957 /nfs/dbraw/zinc/69/99/57/625699957.db2.gz YVXUWFJDYKADKU-MSOLQXFVSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)C1(Br)CC1 ZINC000926286475 624651886 /nfs/dbraw/zinc/65/18/86/624651886.db2.gz FNJQZFHJGLLLLC-OLZOCXBDSA-N 1 3 319.287 2.393 20 0 DEADHO C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)C1(Br)CC1 ZINC000926286475 624651899 /nfs/dbraw/zinc/65/18/99/624651899.db2.gz FNJQZFHJGLLLLC-OLZOCXBDSA-N 1 3 319.287 2.393 20 0 DEADHO COCC[NH+]1CCC(Nc2ccnc3ccc(OC)cc32)CC1 ZINC000892013325 624742306 /nfs/dbraw/zinc/74/23/06/624742306.db2.gz JZJBNBNWFUATPG-UHFFFAOYSA-N 1 3 315.417 2.188 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([N@H+](C)CC3=CCCCC3)C2)C1 ZINC000972332334 624931435 /nfs/dbraw/zinc/93/14/35/624931435.db2.gz BRXUQQCZBXODIJ-AEFFLSMTSA-N 1 3 319.493 2.361 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CC3=CCCCC3)C2)C1 ZINC000972332334 624931438 /nfs/dbraw/zinc/93/14/38/624931438.db2.gz BRXUQQCZBXODIJ-AEFFLSMTSA-N 1 3 319.493 2.361 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC000972333607 624932217 /nfs/dbraw/zinc/93/22/17/624932217.db2.gz YASUEOJMDOTGQK-WBVHZDCISA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC000972333607 624932219 /nfs/dbraw/zinc/93/22/19/624932219.db2.gz YASUEOJMDOTGQK-WBVHZDCISA-N 1 3 321.509 2.440 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001023401983 625254271 /nfs/dbraw/zinc/25/42/71/625254271.db2.gz CKMFQGVDGPIFCT-MSOLQXFVSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001023401983 625254273 /nfs/dbraw/zinc/25/42/73/625254273.db2.gz CKMFQGVDGPIFCT-MSOLQXFVSA-N 1 3 321.509 2.489 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N2CCC([NH3+])(CC)CC2)CC1 ZINC000892932838 625724084 /nfs/dbraw/zinc/72/40/84/625724084.db2.gz BQHCHCXDTVHZPN-UHFFFAOYSA-N 1 3 310.486 2.116 20 0 DEADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001019775141 625831929 /nfs/dbraw/zinc/83/19/29/625831929.db2.gz ZFWIMDOMHQYYTC-INIZCTEOSA-N 1 3 321.852 2.126 20 0 DEADHO CCc1ccccc1C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001019775902 625833263 /nfs/dbraw/zinc/83/32/63/625833263.db2.gz LNOHEJNFGFPRGP-SFHVURJKSA-N 1 3 315.461 2.035 20 0 DEADHO CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCN1CC(C)C ZINC001024523001 625837164 /nfs/dbraw/zinc/83/71/64/625837164.db2.gz LTBUBPSZQYGJNY-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCN1CC(C)C ZINC001024523001 625837172 /nfs/dbraw/zinc/83/71/72/625837172.db2.gz LTBUBPSZQYGJNY-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCC2CCCC2)C1)C1CC1 ZINC000999373845 634570845 /nfs/dbraw/zinc/57/08/45/634570845.db2.gz RJAXAOFIFNKUSZ-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)C2CC([NH2+]CC3CCCC3)C2)C1 ZINC000999407973 634586186 /nfs/dbraw/zinc/58/61/86/634586186.db2.gz ISYNCYIBFPCOIL-OOHWJJMZSA-N 1 3 307.482 2.097 20 0 DEADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000999470622 634602153 /nfs/dbraw/zinc/60/21/53/634602153.db2.gz TVPDEICEFAEIPF-JFUPDXTOSA-N 1 3 324.428 2.219 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCc2cccs2)C1)N(C)C ZINC000999491805 634619722 /nfs/dbraw/zinc/61/97/22/634619722.db2.gz XKGDLKBPDMNGLG-GDBMZVCRSA-N 1 3 323.506 2.211 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(C)C)C(C)(C)C1 ZINC000995872133 633131776 /nfs/dbraw/zinc/13/17/76/633131776.db2.gz LZTIKMQMOPWARU-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]CCC2CC2)C(C)(C)C1)N(C)C ZINC000996247241 633218497 /nfs/dbraw/zinc/21/84/97/633218497.db2.gz MNCYVHFAHHUVQZ-HZPDHXFCSA-N 1 3 309.498 2.199 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]CC2CCCC2)C(C)(C)C1)N(C)C ZINC000996314654 633234605 /nfs/dbraw/zinc/23/46/05/633234605.db2.gz JOOPWUZVHDJNLT-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CN(CC(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)C1)C1CCC1 ZINC001026891461 633245147 /nfs/dbraw/zinc/24/51/47/633245147.db2.gz VFJUGBRSPVPROF-KRWDZBQOSA-N 1 3 319.493 2.409 20 0 DEADHO CC(C)CC[N@@H+]1C[C@@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC000974773671 633296056 /nfs/dbraw/zinc/29/60/56/633296056.db2.gz IQMNRBJVSIIXRU-MRXNPFEDSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CC[N@H+]1C[C@@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC000974773671 633296062 /nfs/dbraw/zinc/29/60/62/633296062.db2.gz IQMNRBJVSIIXRU-MRXNPFEDSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC([NH2+]CC2CCCCC2)CC1)C1CC1 ZINC000996674923 633343001 /nfs/dbraw/zinc/34/30/01/633343001.db2.gz DMEZGCUVSHIETA-SFHVURJKSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)=CCN1C[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000974991686 633383424 /nfs/dbraw/zinc/38/34/24/633383424.db2.gz DQEZGYDRIXEMSW-INIZCTEOSA-N 1 3 307.482 2.121 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]CC3=CCCCC3)CC2)C1 ZINC000997004657 633558826 /nfs/dbraw/zinc/55/88/26/633558826.db2.gz FUMOLKPFHXOKLJ-INIZCTEOSA-N 1 3 319.493 2.409 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC[C@H](O)c1cccc(Br)c1 ZINC000817929572 633569514 /nfs/dbraw/zinc/56/95/14/633569514.db2.gz INAXOMJFWCZDQM-CWSCBRNRSA-N 1 3 301.228 2.198 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2CC2)C1 ZINC001027409807 633748372 /nfs/dbraw/zinc/74/83/72/633748372.db2.gz NYINXGDZLRAUIB-SJORKVTESA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CC2)C1 ZINC001027409807 633748373 /nfs/dbraw/zinc/74/83/73/633748373.db2.gz NYINXGDZLRAUIB-SJORKVTESA-N 1 3 307.482 2.192 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccccc2)CC1 ZINC000997607935 633898451 /nfs/dbraw/zinc/89/84/51/633898451.db2.gz ROLJSNYBNRKTGZ-SFHVURJKSA-N 1 3 315.461 2.109 20 0 DEADHO CC[C@@H](C(=O)N1CCC(C[NH2+]CC2CC(C)C2)CC1)N(C)C ZINC000998086240 634136866 /nfs/dbraw/zinc/13/68/66/634136866.db2.gz OQCMGMKKXNYRGJ-PREGVCBESA-N 1 3 309.498 2.201 20 0 DEADHO CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C[C@@H]2C1 ZINC000980171492 634878156 /nfs/dbraw/zinc/87/81/56/634878156.db2.gz LZZSNVVHWJKTCR-XHSDSOJGSA-N 1 3 307.482 2.097 20 0 DEADHO CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C[C@@H]2C1 ZINC000980171492 634878160 /nfs/dbraw/zinc/87/81/60/634878160.db2.gz LZZSNVVHWJKTCR-XHSDSOJGSA-N 1 3 307.482 2.097 20 0 DEADHO CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C[C@@H]2C1 ZINC000980173746 634879594 /nfs/dbraw/zinc/87/95/94/634879594.db2.gz SRYGNVAZJVUZRF-GVDBMIGSSA-N 1 3 321.509 2.488 20 0 DEADHO CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C[C@@H]2C1 ZINC000980173746 634879600 /nfs/dbraw/zinc/87/96/00/634879600.db2.gz SRYGNVAZJVUZRF-GVDBMIGSSA-N 1 3 321.509 2.488 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3nc[nH]c3C)C[C@@H]2C1 ZINC000980229133 634906966 /nfs/dbraw/zinc/90/69/66/634906966.db2.gz IQHFPNHYYWAKCA-XHSDSOJGSA-N 1 3 318.465 2.277 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3nc[nH]c3C)C[C@@H]2C1 ZINC000980229133 634906967 /nfs/dbraw/zinc/90/69/67/634906967.db2.gz IQHFPNHYYWAKCA-XHSDSOJGSA-N 1 3 318.465 2.277 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCCN(CC[C@@H](C)F)CC1 ZINC000981148677 635331805 /nfs/dbraw/zinc/33/18/05/635331805.db2.gz LDGYZJRMGWPUFN-CVEARBPZSA-N 1 3 313.461 2.142 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCCN(CC[C@@H](C)F)CC1 ZINC000981148677 635331809 /nfs/dbraw/zinc/33/18/09/635331809.db2.gz LDGYZJRMGWPUFN-CVEARBPZSA-N 1 3 313.461 2.142 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H](NCCF)C1)[NH+]1CCCCC1 ZINC001001009783 635378605 /nfs/dbraw/zinc/37/86/05/635378605.db2.gz QPJMEDAVCWUVRJ-HZPDHXFCSA-N 1 3 313.461 2.047 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCC2CC2)C1 ZINC001001010403 635378662 /nfs/dbraw/zinc/37/86/62/635378662.db2.gz TYIMNFCFUXDRPZ-DLBZAZTESA-N 1 3 307.482 2.242 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC1=CC[N@H+](CC2CC2)CC1 ZINC001001473183 635504321 /nfs/dbraw/zinc/50/43/21/635504321.db2.gz YAUQWRCHPYDZOQ-KRWDZBQOSA-N 1 3 305.466 2.019 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC1=CC[N@@H+](CC2CC2)CC1 ZINC001001473183 635504324 /nfs/dbraw/zinc/50/43/24/635504324.db2.gz YAUQWRCHPYDZOQ-KRWDZBQOSA-N 1 3 305.466 2.019 20 0 DEADHO C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000921879665 635664009 /nfs/dbraw/zinc/66/40/09/635664009.db2.gz RDCMCXWALCTPIA-QSJFSLAZSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000921879665 635664015 /nfs/dbraw/zinc/66/40/15/635664015.db2.gz RDCMCXWALCTPIA-QSJFSLAZSA-N 1 3 322.497 2.031 20 0 DEADHO CC(C)=CC[N@H+]1CCCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC000982011422 635809800 /nfs/dbraw/zinc/80/98/00/635809800.db2.gz CFDPKPXDGWNYKN-KRWDZBQOSA-N 1 3 319.493 2.219 20 0 DEADHO CC(C)=CC[N@@H+]1CCCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC000982011422 635809807 /nfs/dbraw/zinc/80/98/07/635809807.db2.gz CFDPKPXDGWNYKN-KRWDZBQOSA-N 1 3 319.493 2.219 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@H+](CC1CCC1)C2 ZINC000982012176 635809988 /nfs/dbraw/zinc/80/99/88/635809988.db2.gz RKVSLHZGEALIMJ-INIZCTEOSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC000982012176 635809994 /nfs/dbraw/zinc/80/99/94/635809994.db2.gz RKVSLHZGEALIMJ-INIZCTEOSA-N 1 3 319.493 2.195 20 0 DEADHO CN1CC[C@H]([NH2+]C[C@]2(C(F)(F)F)CCCN2)[C@@H]2CCC[C@H]21 ZINC000925850970 635948851 /nfs/dbraw/zinc/94/88/51/635948851.db2.gz AVHAKZKKEGBUHK-FQUUOJAGSA-N 1 3 305.388 2.133 20 0 DEADHO CC[NH+](CC)CC1CCN(C[C@@H]2[C@H](C(=O)OC)C2(F)F)CC1 ZINC000893940159 636070364 /nfs/dbraw/zinc/07/03/64/636070364.db2.gz JXBMUXNJIUNLCL-ZIAGYGMSSA-N 1 3 318.408 2.095 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001028333594 636133452 /nfs/dbraw/zinc/13/34/52/636133452.db2.gz OSUFUISOVQSCDS-INIZCTEOSA-N 1 3 303.450 2.351 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001028333594 636133455 /nfs/dbraw/zinc/13/34/55/636133455.db2.gz OSUFUISOVQSCDS-INIZCTEOSA-N 1 3 303.450 2.351 20 0 DEADHO Cc1ncc(CN[C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)s1 ZINC000922386107 636151834 /nfs/dbraw/zinc/15/18/34/636151834.db2.gz FSHQYZYVFXGORI-LVQVYYBASA-N 1 3 309.479 2.021 20 0 DEADHO Cc1ncc(CN[C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)s1 ZINC000922386107 636151837 /nfs/dbraw/zinc/15/18/37/636151837.db2.gz FSHQYZYVFXGORI-LVQVYYBASA-N 1 3 309.479 2.021 20 0 DEADHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnn(C(C)C)c1)C2 ZINC000922390377 636152685 /nfs/dbraw/zinc/15/26/85/636152685.db2.gz YYMXWMCTSSXGBJ-TVFCKZIOSA-N 1 3 320.481 2.033 20 0 DEADHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnn(C(C)C)c1)C2 ZINC000922390377 636152688 /nfs/dbraw/zinc/15/26/88/636152688.db2.gz YYMXWMCTSSXGBJ-TVFCKZIOSA-N 1 3 320.481 2.033 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3ccc(F)nc3)C2)[C@@H]1C(C)C ZINC000922393464 636155589 /nfs/dbraw/zinc/15/55/89/636155589.db2.gz KSFGXZQQMLHWBV-XYVMCAHJSA-N 1 3 321.440 2.180 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3ccc(F)nc3)C2)[C@@H]1C(C)C ZINC000922393464 636155593 /nfs/dbraw/zinc/15/55/93/636155593.db2.gz KSFGXZQQMLHWBV-XYVMCAHJSA-N 1 3 321.440 2.180 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001028537133 636328939 /nfs/dbraw/zinc/32/89/39/636328939.db2.gz HSXXYGLZXBVJIB-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001028537133 636328943 /nfs/dbraw/zinc/32/89/43/636328943.db2.gz HSXXYGLZXBVJIB-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC001028580421 636376248 /nfs/dbraw/zinc/37/62/48/636376248.db2.gz VZVUQLWOAQAGPA-DLBZAZTESA-N 1 3 307.482 2.265 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001028580421 636376249 /nfs/dbraw/zinc/37/62/49/636376249.db2.gz VZVUQLWOAQAGPA-DLBZAZTESA-N 1 3 307.482 2.265 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001004457406 636458407 /nfs/dbraw/zinc/45/84/07/636458407.db2.gz KOPPVDYXIPQQIG-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001004457406 636458410 /nfs/dbraw/zinc/45/84/10/636458410.db2.gz KOPPVDYXIPQQIG-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779222 636646138 /nfs/dbraw/zinc/64/61/38/636646138.db2.gz KDEATWOMDSKRBM-YESZJQIVSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779222 636646141 /nfs/dbraw/zinc/64/61/41/636646141.db2.gz KDEATWOMDSKRBM-YESZJQIVSA-N 1 3 307.482 2.050 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946778976 636646816 /nfs/dbraw/zinc/64/68/16/636646816.db2.gz AQGGZYAADTXHIR-KURKYZTESA-N 1 3 321.509 2.299 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946778976 636646820 /nfs/dbraw/zinc/64/68/20/636646820.db2.gz AQGGZYAADTXHIR-KURKYZTESA-N 1 3 321.509 2.299 20 0 DEADHO CN(C(=O)[C@H]1CCCN1C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001005186198 636685061 /nfs/dbraw/zinc/68/50/61/636685061.db2.gz YOTDZFXGBUXNKL-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO O[C@@H](CN1CCC([C@H]2CC[NH2+]C2)CC1)c1ccc(F)c(F)c1 ZINC000923356025 637136392 /nfs/dbraw/zinc/13/63/92/637136392.db2.gz DOGUMHPJAOZNJT-YOEHRIQHSA-N 1 3 310.388 2.320 20 0 DEADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000923423213 637169845 /nfs/dbraw/zinc/16/98/45/637169845.db2.gz WCTLOIGSFWXXOB-DDBAPUKQSA-N 1 3 318.461 2.157 20 0 DEADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000923423213 637169849 /nfs/dbraw/zinc/16/98/49/637169849.db2.gz WCTLOIGSFWXXOB-DDBAPUKQSA-N 1 3 318.461 2.157 20 0 DEADHO CC(C)(C)c1cccc(OCCCN2CCNCC[NH2+]CC2)c1 ZINC000923461049 637192341 /nfs/dbraw/zinc/19/23/41/637192341.db2.gz JYIAOPSSBJVOLV-UHFFFAOYSA-N 1 3 319.493 2.248 20 0 DEADHO CC(C)[C@@H](NC(=O)CN1CC[C@@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000923486445 637200441 /nfs/dbraw/zinc/20/04/41/637200441.db2.gz GNXABJSGXACERB-RDTXWAMCSA-N 1 3 321.440 2.310 20 0 DEADHO CC(C)[C@H](NC(=O)CN1CC[C@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000923486444 637200701 /nfs/dbraw/zinc/20/07/01/637200701.db2.gz GNXABJSGXACERB-KSSFIOAISA-N 1 3 321.440 2.310 20 0 DEADHO C[C@@H]1CN([C@@H]2CCCN(c3ccccc3)C2=O)CC[C@@H]1C[NH3+] ZINC000923497883 637214936 /nfs/dbraw/zinc/21/49/36/637214936.db2.gz NDLILLYYUMPEJK-BFYDXBDKSA-N 1 3 301.434 2.099 20 0 DEADHO CCc1ccc([C@H](C)NC(=O)CN2CC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923503945 637218883 /nfs/dbraw/zinc/21/88/83/637218883.db2.gz MUEFFKGWPLINRR-VKJFTORMSA-N 1 3 317.477 2.343 20 0 DEADHO CCCCNC(=O)[C@H](C)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923504221 637219847 /nfs/dbraw/zinc/21/98/47/637219847.db2.gz VEILMVVKTZMCMD-JKSUJKDBSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@@H]1CN(CC(=O)N[C@@H]2CCCc3ccccc32)CC[C@H]1C[NH3+] ZINC000923504207 637219853 /nfs/dbraw/zinc/21/98/53/637219853.db2.gz PXFOBMADOXXZNJ-UWWQBHOKSA-N 1 3 315.461 2.097 20 0 DEADHO O=C1[C@@H](N2CCC([C@@H]3CCC[NH2+]CC3)CC2)CCN1C1CCC1 ZINC000923506223 637221065 /nfs/dbraw/zinc/22/10/65/637221065.db2.gz IZUZSHUOGNGGPP-QAPCUYQASA-N 1 3 319.493 2.242 20 0 DEADHO COc1ccc([C@@H](C[NH3+])CN2CCN(C)C[C@@H]2CC(C)C)cc1 ZINC000923554695 637243955 /nfs/dbraw/zinc/24/39/55/637243955.db2.gz OLCRZHZNYPWXFL-ROUUACIJSA-N 1 3 319.493 2.400 20 0 DEADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNc1ccncc1CO ZINC000894866152 637274228 /nfs/dbraw/zinc/27/42/28/637274228.db2.gz SGTMCYIXBLCCKE-RDJZCZTQSA-N 1 3 311.429 2.176 20 0 DEADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNc1ccncc1CO ZINC000894866152 637274231 /nfs/dbraw/zinc/27/42/31/637274231.db2.gz SGTMCYIXBLCCKE-RDJZCZTQSA-N 1 3 311.429 2.176 20 0 DEADHO C[C@H]([NH2+]CC1CC1)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001029159400 637281759 /nfs/dbraw/zinc/28/17/59/637281759.db2.gz BZXUMZBWYBGCSN-INIZCTEOSA-N 1 3 321.509 2.345 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@H](C)[NH2+]C(C)C)CC1 ZINC001029174012 637293743 /nfs/dbraw/zinc/29/37/43/637293743.db2.gz XGPJKLKIKOLUDY-DOTOQJQBSA-N 1 3 309.498 2.486 20 0 DEADHO CCCN1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001029437044 638003706 /nfs/dbraw/zinc/00/37/06/638003706.db2.gz SGSDIFDAOJONOM-ZACQAIPSSA-N 1 3 307.482 2.194 20 0 DEADHO CCCN1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001029437044 638003707 /nfs/dbraw/zinc/00/37/07/638003707.db2.gz SGSDIFDAOJONOM-ZACQAIPSSA-N 1 3 307.482 2.194 20 0 DEADHO CC[NH+](CC)CCO[C@H]1CCN(C[C@@H](O)c2ccc(F)cc2)C1 ZINC000746676427 638367739 /nfs/dbraw/zinc/36/77/39/638367739.db2.gz VRAXNRPIOGOPTJ-ZWKOTPCHSA-N 1 3 324.440 2.292 20 0 DEADHO NCc1cn([C@@H]2CCC[N@H+](Cc3cncc4ccccc43)C2)nn1 ZINC000841099353 650430647 /nfs/dbraw/zinc/43/06/47/650430647.db2.gz IQHUKYZPTHUNMJ-QGZVFWFLSA-N 1 3 322.416 2.122 20 0 DEADHO NCc1cn([C@@H]2CCC[N@@H+](Cc3cncc4ccccc43)C2)nn1 ZINC000841099353 650430649 /nfs/dbraw/zinc/43/06/49/650430649.db2.gz IQHUKYZPTHUNMJ-QGZVFWFLSA-N 1 3 322.416 2.122 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CC3CC(C)(C)C3)C2)C1 ZINC000984802447 638695076 /nfs/dbraw/zinc/69/50/76/638695076.db2.gz AFDFLEHVHDIFNF-BFYDXBDKSA-N 1 3 321.509 2.249 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CC3CCCC3)C2)C1 ZINC000984802910 638695882 /nfs/dbraw/zinc/69/58/82/638695882.db2.gz FKVKYARDQHTFRC-XIRDDKMYSA-N 1 3 307.482 2.003 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001029595714 639330651 /nfs/dbraw/zinc/33/06/51/639330651.db2.gz NRHFSITZLVMOEL-AHCXZYCDSA-N 1 3 319.493 2.335 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001029595714 639330658 /nfs/dbraw/zinc/33/06/58/639330658.db2.gz NRHFSITZLVMOEL-AHCXZYCDSA-N 1 3 319.493 2.335 20 0 DEADHO C[C@@H]([NH2+]CCCN1CCOC1=O)[C@H]1CCCN(C2CCC2)C1 ZINC000754464968 639433058 /nfs/dbraw/zinc/43/30/58/639433058.db2.gz PDMLYTISMVWKRG-CABCVRRESA-N 1 3 309.454 2.071 20 0 DEADHO CC[C@@H](C(=O)N1CCC([N@H+](C)CC2CCCC2)CC1)N(C)C ZINC000985654720 639565795 /nfs/dbraw/zinc/56/57/95/639565795.db2.gz BWVBLKZFXLCVIB-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)CC2CCCC2)CC1)N(C)C ZINC000985654720 639565805 /nfs/dbraw/zinc/56/58/05/639565805.db2.gz BWVBLKZFXLCVIB-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H](CNC(=O)OC(C)(C)C)NC1CC[NH+](CC2CC2)CC1 ZINC000756069646 639621015 /nfs/dbraw/zinc/62/10/15/639621015.db2.gz FHBKOCTYGDZMSL-ZDUSSCGKSA-N 1 3 311.470 2.364 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)[C@H]2C)c1 ZINC000987059754 640072648 /nfs/dbraw/zinc/07/26/48/640072648.db2.gz SFBUGHFNLRMRGM-YOEHRIQHSA-N 1 3 312.417 2.040 20 0 DEADHO COC(=O)C1=C(C)O[C@H](C[N@H+](C)CC[C@@H]2CCCCN2C)C1 ZINC000759854135 640127210 /nfs/dbraw/zinc/12/72/10/640127210.db2.gz KPWZOZOOWLCVEQ-GJZGRUSLSA-N 1 3 310.438 2.029 20 0 DEADHO COC(=O)C1=C(C)O[C@H](C[N@@H+](C)CC[C@@H]2CCCCN2C)C1 ZINC000759854135 640127213 /nfs/dbraw/zinc/12/72/13/640127213.db2.gz KPWZOZOOWLCVEQ-GJZGRUSLSA-N 1 3 310.438 2.029 20 0 DEADHO CN(C)Cc1cccc(NC(=S)NCC2CC[NH+](C)CC2)c1 ZINC000760473761 640196362 /nfs/dbraw/zinc/19/63/62/640196362.db2.gz HIKUKNNWPKTCFP-UHFFFAOYSA-N 1 3 320.506 2.376 20 0 DEADHO C[C@@H]1[C@H]([NH2+]CC2=CCCCC2)CCN1C(=O)CN1CCCC1 ZINC000987522156 640212936 /nfs/dbraw/zinc/21/29/36/640212936.db2.gz FVPHYYBHSQSGDH-NVXWUHKLSA-N 1 3 305.466 2.162 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC2CCCC2)CN1C(=O)CN(C)C1CCC1 ZINC000988955014 640695472 /nfs/dbraw/zinc/69/54/72/640695472.db2.gz JDBYVNBLVFJYQZ-GDBMZVCRSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1C[C@@H](NCC2CCN(c3cc[nH+]cc3)CC2)c2ncnn21 ZINC000925300699 640738759 /nfs/dbraw/zinc/73/87/59/640738759.db2.gz OGHKFDXJUCXXPB-CZUORRHYSA-N 1 3 312.421 2.185 20 0 DEADHO CN1c2ccc(CN[C@H]3CCCC[C@@H]3C[NH3+])cc2CCC1=O ZINC000841027644 640840309 /nfs/dbraw/zinc/84/03/09/640840309.db2.gz DPURAPALYORWCN-CVEARBPZSA-N 1 3 301.434 2.203 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](O)c2ccc(C)o2)[C@H](C)C1 ZINC000766138064 640852376 /nfs/dbraw/zinc/85/23/76/640852376.db2.gz GBEAJZZZNUTJMI-HYVNUMGLSA-N 1 3 324.465 2.348 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CC2CCC2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989449046 640992803 /nfs/dbraw/zinc/99/28/03/640992803.db2.gz CAWMTNLIMNFKEE-GOEBONIOSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CCC2CC2)CN1C(=O)CN1CCC(C)CC1 ZINC000989606876 641167596 /nfs/dbraw/zinc/16/75/96/641167596.db2.gz WKEJZFALAFYTOK-WBVHZDCISA-N 1 3 307.482 2.097 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC000990245352 641410720 /nfs/dbraw/zinc/41/07/20/641410720.db2.gz VBNUBEMPKLYAQT-KRWDZBQOSA-N 1 3 319.424 2.001 20 0 DEADHO c1cnn(-c2ncccc2CN[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000924640460 641529594 /nfs/dbraw/zinc/52/95/94/641529594.db2.gz LWRASJPFXKCUEG-IAGOWNOFSA-N 1 3 311.433 2.374 20 0 DEADHO c1cnn(-c2ncccc2CN[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000924640460 641529597 /nfs/dbraw/zinc/52/95/97/641529597.db2.gz LWRASJPFXKCUEG-IAGOWNOFSA-N 1 3 311.433 2.374 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CC2CC(C)C2)C1)N(C)C ZINC001030020877 641622623 /nfs/dbraw/zinc/62/26/23/641622623.db2.gz FDMWHIQGQPLUMO-SJJHQCBESA-N 1 3 309.498 2.199 20 0 DEADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1cccc(Cn2cccn2)c1 ZINC000924728579 641637696 /nfs/dbraw/zinc/63/76/96/641637696.db2.gz BZEZJRJFNPAIJB-DFNIBXOVSA-N 1 3 310.445 2.361 20 0 DEADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1cccc(Cn2cccn2)c1 ZINC000924728579 641637699 /nfs/dbraw/zinc/63/76/99/641637699.db2.gz BZEZJRJFNPAIJB-DFNIBXOVSA-N 1 3 310.445 2.361 20 0 DEADHO CC1([NH+]2CCC2)CCN(C(=O)[C@H]2CCN2C2CCCC2)CC1 ZINC000899225190 642002705 /nfs/dbraw/zinc/00/27/05/642002705.db2.gz XPGQNVJKOYVZPB-MRXNPFEDSA-N 1 3 305.466 2.090 20 0 DEADHO C[NH+](C)CCOc1ccccc1-c1ccc(C2(O)CNC2)cc1 ZINC000899323911 642029627 /nfs/dbraw/zinc/02/96/27/642029627.db2.gz KGOXJUDZIINOFN-UHFFFAOYSA-N 1 3 312.413 2.085 20 0 DEADHO CN(C)Cc1cccc(NC(=O)NC[C@H]2CCCCC[NH2+]2)c1 ZINC000900476730 642388454 /nfs/dbraw/zinc/38/84/54/642388454.db2.gz FQVYSRLKXDRSKZ-MRXNPFEDSA-N 1 3 304.438 2.402 20 0 DEADHO CC(=O)N1CCC([NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)CC1 ZINC000781427362 642750714 /nfs/dbraw/zinc/75/07/14/642750714.db2.gz VFJCYYJXCJCSOR-GDBMZVCRSA-N 1 3 307.482 2.240 20 0 DEADHO Cc1ccc(C(=O)NCCN[C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000902360175 643019615 /nfs/dbraw/zinc/01/96/15/643019615.db2.gz GIONKKDRFZLLRI-MRXNPFEDSA-N 1 3 303.450 2.093 20 0 DEADHO C[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000902384619 643024852 /nfs/dbraw/zinc/02/48/52/643024852.db2.gz SSDWJTBILHYBHT-JDFRZJQESA-N 1 3 320.433 2.205 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H](NC[C@@H]2CCCCC[NH2+]2)C1 ZINC000902485087 643058239 /nfs/dbraw/zinc/05/82/39/643058239.db2.gz YVJSLKALUHGUSR-MCIONIFRSA-N 1 3 318.408 2.475 20 0 DEADHO CO[C@H]1CCC[C@H]1[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000903073790 643247720 /nfs/dbraw/zinc/24/77/20/643247720.db2.gz KTNLTYTXXUAQLJ-MOPGFXCFSA-N 1 3 317.477 2.091 20 0 DEADHO C1C[C@@H](NC2CC[NH+](C3CCCCC3)CC2)[C@@]2(CCOC2)O1 ZINC000903105896 643251457 /nfs/dbraw/zinc/25/14/57/643251457.db2.gz VYKMTRYSYLESTN-MSOLQXFVSA-N 1 3 308.466 2.321 20 0 DEADHO C1C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)[C@@]2(CCOC2)O1 ZINC000903105896 643251459 /nfs/dbraw/zinc/25/14/59/643251459.db2.gz VYKMTRYSYLESTN-MSOLQXFVSA-N 1 3 308.466 2.321 20 0 DEADHO C[S@](=O)[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C2CC2)C1 ZINC000903198813 643283434 /nfs/dbraw/zinc/28/34/34/643283434.db2.gz GRDVNIWHNOKJSB-LPPICZDXSA-N 1 3 310.507 2.424 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(C)CCC2(CC1)OCCO2 ZINC000903267821 643305558 /nfs/dbraw/zinc/30/55/58/643305558.db2.gz HYUFOKJECRDYJP-XYPWUTKMSA-N 1 3 308.466 2.240 20 0 DEADHO CN(CCOc1ccc(F)cc1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718237 643438041 /nfs/dbraw/zinc/43/80/41/643438041.db2.gz JEEQWILYRSFYEJ-KRWDZBQOSA-N 1 3 322.424 2.295 20 0 DEADHO Cc1cc([C@H]2CCCN2C[C@@H]2CC3(CO2)CC[NH2+]CC3)on1 ZINC000903721875 643439276 /nfs/dbraw/zinc/43/92/76/643439276.db2.gz FRVPVGIHMZQERE-LSDHHAIUSA-N 1 3 305.422 2.279 20 0 DEADHO COc1ccc(CN(C)C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1C ZINC000903727587 643440736 /nfs/dbraw/zinc/44/07/36/643440736.db2.gz VOKUOFYSNLIAND-SJLPKXTDSA-N 1 3 304.434 2.204 20 0 DEADHO c1cc([C@@H]2CCCN2C[C@H]2CC3(CO2)CC[NH2+]CC3)ccn1 ZINC000903753970 643451646 /nfs/dbraw/zinc/45/16/46/643451646.db2.gz ZMGMRDMGGXHVPA-SJORKVTESA-N 1 3 301.434 2.377 20 0 DEADHO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCC(C(C)(C)C[NH3+])CC2)C1 ZINC000903788684 643463556 /nfs/dbraw/zinc/46/35/56/643463556.db2.gz DTLBJSVZRCSYTC-GASCZTMLSA-N 1 3 309.498 2.188 20 0 DEADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N([C@H]1CCN(c3ccc(Cl)cc3)C1=O)C2 ZINC000903843434 643481156 /nfs/dbraw/zinc/48/11/56/643481156.db2.gz LCQXJCNGRHCHEC-YOENINGUSA-N 1 3 319.836 2.257 20 0 DEADHO Cc1c(C[C@H](C[NH3+])CN2CCCc3ccccc3C2)cnn1C ZINC000903892491 643497248 /nfs/dbraw/zinc/49/72/48/643497248.db2.gz SZVFMSYSLYKQMT-MRXNPFEDSA-N 1 3 312.461 2.294 20 0 DEADHO COc1ccccc1-n1nccc1CN1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904411988 643663128 /nfs/dbraw/zinc/66/31/28/643663128.db2.gz YPHGMCVXKUXEMP-HUUCEWRRSA-N 1 3 314.433 2.298 20 0 DEADHO O[C@H](CC[C@H](O)c1ccccc1)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000905051977 643772077 /nfs/dbraw/zinc/77/20/77/643772077.db2.gz YEBVISKMAKVPQL-HCXYKTFWSA-N 1 3 318.461 2.078 20 0 DEADHO O[C@H](CC[C@H](O)c1ccccc1)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000905051977 643772080 /nfs/dbraw/zinc/77/20/80/643772080.db2.gz YEBVISKMAKVPQL-HCXYKTFWSA-N 1 3 318.461 2.078 20 0 DEADHO C[C@](O)(C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C(F)F ZINC000905097914 643799932 /nfs/dbraw/zinc/79/99/32/643799932.db2.gz ONSRCDOWVJNRPP-WBVHZDCISA-N 1 3 312.404 2.157 20 0 DEADHO OCC1(C[C@H](O)CNC2CC[NH+](C3CCCC3)CC2)CCCC1 ZINC000905155110 643800365 /nfs/dbraw/zinc/80/03/65/643800365.db2.gz OJVILVIKVIZQLJ-SFHVURJKSA-N 1 3 324.509 2.287 20 0 DEADHO OCC1(C[C@H](O)C[NH2+]C2CCN(C3CCCC3)CC2)CCCC1 ZINC000905155110 643800371 /nfs/dbraw/zinc/80/03/71/643800371.db2.gz OJVILVIKVIZQLJ-SFHVURJKSA-N 1 3 324.509 2.287 20 0 DEADHO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)[C@@H]1CNCc2ccccc21 ZINC000843343717 650953196 /nfs/dbraw/zinc/95/31/96/650953196.db2.gz WZDQYMRFKZCTLC-GOSISDBHSA-N 1 3 321.424 2.312 20 0 DEADHO [NH3+]C[C@@H]1CN(CC[C@@H]2CC2(Cl)Cl)CC12CCOCC2 ZINC000843387748 650964324 /nfs/dbraw/zinc/96/43/24/650964324.db2.gz IIRHAIDZMNWSSB-VXGBXAGGSA-N 1 3 307.265 2.258 20 0 DEADHO CCc1noc(C)c1[C@@H](C)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000799727200 645213798 /nfs/dbraw/zinc/21/37/98/645213798.db2.gz ZDXYBMIIRLDHLX-CYBMUJFWSA-N 1 3 308.470 2.222 20 0 DEADHO CCc1noc(C)c1[C@@H](C)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000799727200 645213802 /nfs/dbraw/zinc/21/38/02/645213802.db2.gz ZDXYBMIIRLDHLX-CYBMUJFWSA-N 1 3 308.470 2.222 20 0 DEADHO CCN1CCCN(C(=O)CSCC[NH+](CC)CC)[C@H](C)C1 ZINC000910281725 645386880 /nfs/dbraw/zinc/38/68/80/645386880.db2.gz LVNNJYNBWFUUBK-OAHLLOKOSA-N 1 3 315.527 2.004 20 0 DEADHO CC(C)(C)[C@@H]([NH3+])CC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000323750125 645397035 /nfs/dbraw/zinc/39/70/35/645397035.db2.gz SFICAFHTCQOONL-KRWDZBQOSA-N 1 3 317.477 2.484 20 0 DEADHO O=C(Nc1ccc2c(c1)C[NH2+]CC2)c1cccc2c1OCCNC2 ZINC000911811043 645837987 /nfs/dbraw/zinc/83/79/87/645837987.db2.gz PMCGVRPINAUTPU-UHFFFAOYSA-N 1 3 323.396 2.067 20 0 DEADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000912064793 645923519 /nfs/dbraw/zinc/92/35/19/645923519.db2.gz GFQHUXTXPMAXNW-YLFCFFPRSA-N 1 3 305.466 2.136 20 0 DEADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000912064793 645923522 /nfs/dbraw/zinc/92/35/22/645923522.db2.gz GFQHUXTXPMAXNW-YLFCFFPRSA-N 1 3 305.466 2.136 20 0 DEADHO CCCN(C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[C@@H]1CCN(C)C1 ZINC000843989347 651059381 /nfs/dbraw/zinc/05/93/81/651059381.db2.gz NSIQSKSRMHXFDW-PBHICJAKSA-N 1 3 313.461 2.142 20 0 DEADHO CCCN(C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)[C@@H]1CCN(C)C1 ZINC000843989347 651059383 /nfs/dbraw/zinc/05/93/83/651059383.db2.gz NSIQSKSRMHXFDW-PBHICJAKSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@H](C(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1)N1CCCCCC1 ZINC000913290555 646318187 /nfs/dbraw/zinc/31/81/87/646318187.db2.gz YSUCRXZCKRLTEE-KBAYOESNSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC000810316150 646352271 /nfs/dbraw/zinc/35/22/71/646352271.db2.gz QOASZKYTDTWPDO-INIZCTEOSA-N 1 3 301.450 2.045 20 0 DEADHO CC[N@@H+](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC000810316150 646352275 /nfs/dbraw/zinc/35/22/75/646352275.db2.gz QOASZKYTDTWPDO-INIZCTEOSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)(C)OC(=O)NC1CC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000226862454 646587349 /nfs/dbraw/zinc/58/73/49/646587349.db2.gz UYUOMTZHUFVVSN-VXGQWTEUSA-N 1 3 309.454 2.259 20 0 DEADHO CC(C)(C)OC(=O)NC1CC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000226862454 646587351 /nfs/dbraw/zinc/58/73/51/646587351.db2.gz UYUOMTZHUFVVSN-VXGQWTEUSA-N 1 3 309.454 2.259 20 0 DEADHO COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000817893143 647373972 /nfs/dbraw/zinc/37/39/72/647373972.db2.gz QKQBICUBJNLMRL-SJCJKPOMSA-N 1 3 315.417 2.242 20 0 DEADHO COc1cccc([C@@H](O)C[NH2+][C@H](C)c2ccc(CN)nc2C)c1 ZINC000817904970 647378611 /nfs/dbraw/zinc/37/86/11/647378611.db2.gz JCGQXMUYQLQKKZ-XIKOKIGWSA-N 1 3 315.417 2.242 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000817916913 647381358 /nfs/dbraw/zinc/38/13/58/647381358.db2.gz JQBHSFQNNXYEAO-BFUOFWGJSA-N 1 3 311.429 2.333 20 0 DEADHO C[C@](O)(CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000817924855 647383200 /nfs/dbraw/zinc/38/32/00/647383200.db2.gz ZKAWBORHYJPPMF-MANSERQUSA-N 1 3 318.461 2.031 20 0 DEADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(N2CCNC2=O)cc1 ZINC000817970139 647396866 /nfs/dbraw/zinc/39/68/66/647396866.db2.gz MJSOPNDQBSMPGD-QEJZJMRPSA-N 1 3 302.422 2.137 20 0 DEADHO C[C@H](CC(=O)Nc1cccnc1Cl)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000817971959 647397707 /nfs/dbraw/zinc/39/77/07/647397707.db2.gz SEEYLYKUOOMJHU-UTUOFQBUSA-N 1 3 310.829 2.182 20 0 DEADHO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H]1CCCCNC1 ZINC000817984392 647400558 /nfs/dbraw/zinc/40/05/58/647400558.db2.gz RXVSFHPCJNPNOM-VXGBXAGGSA-N 1 3 310.829 2.184 20 0 DEADHO C[C@H]1[C@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CCN1C ZINC000915225300 647498393 /nfs/dbraw/zinc/49/83/93/647498393.db2.gz IYGHGINAGJGHLY-WMLDXEAASA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)CC1(C)C ZINC000820080760 647780130 /nfs/dbraw/zinc/78/01/30/647780130.db2.gz KDHDVLBBSBVJMW-GJZGRUSLSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)CC1(C)C ZINC000820080760 647780132 /nfs/dbraw/zinc/78/01/32/647780132.db2.gz KDHDVLBBSBVJMW-GJZGRUSLSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000824819726 648657487 /nfs/dbraw/zinc/65/74/87/648657487.db2.gz QCBYNUVXBPOJBA-LUKYLMHMSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000824819726 648657491 /nfs/dbraw/zinc/65/74/91/648657491.db2.gz QCBYNUVXBPOJBA-LUKYLMHMSA-N 1 3 309.498 2.201 20 0 DEADHO C[NH+]1CCC2(CCN(C(=O)[C@H]3CCN3C3CCCC3)CC2)CC1 ZINC000825251116 648731642 /nfs/dbraw/zinc/73/16/42/648731642.db2.gz UTUZQKXVSOROCR-QGZVFWFLSA-N 1 3 319.493 2.338 20 0 DEADHO CC[NH+]1CCC(C[NH2+][C@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825451570 648763944 /nfs/dbraw/zinc/76/39/44/648763944.db2.gz JJQKLBSKRPYIHF-CYBMUJFWSA-N 1 3 314.437 2.249 20 0 DEADHO CC[NH+]1CCC(C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825451570 648763947 /nfs/dbraw/zinc/76/39/47/648763947.db2.gz JJQKLBSKRPYIHF-CYBMUJFWSA-N 1 3 314.437 2.249 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CC[S@](C)=O)CC1 ZINC000828058673 649127224 /nfs/dbraw/zinc/12/72/24/649127224.db2.gz DEAACNQCNIKEDQ-QRWLVFNGSA-N 1 3 300.512 2.341 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CC[S@](C)=O)CC1 ZINC000828058673 649127225 /nfs/dbraw/zinc/12/72/25/649127225.db2.gz DEAACNQCNIKEDQ-QRWLVFNGSA-N 1 3 300.512 2.341 20 0 DEADHO CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)[C@@H](C)C1 ZINC000942053183 649143272 /nfs/dbraw/zinc/14/32/72/649143272.db2.gz KVSBYTVNMLPGON-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)[C@@H](C)C1 ZINC000942053183 649143275 /nfs/dbraw/zinc/14/32/75/649143275.db2.gz KVSBYTVNMLPGON-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](C)C1 ZINC000942557880 649244573 /nfs/dbraw/zinc/24/45/73/649244573.db2.gz OFQJEXZLHKBXQN-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](C)C1 ZINC000942557880 649244576 /nfs/dbraw/zinc/24/45/76/649244576.db2.gz OFQJEXZLHKBXQN-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000831700860 649630587 /nfs/dbraw/zinc/63/05/87/649630587.db2.gz PBOFRRDIDRXTPC-QGZVFWFLSA-N 1 3 309.498 2.347 20 0 DEADHO COCC[N@H+](C)CCCNCc1ccc2c(c1)CC(C)(C)O2 ZINC000105418501 651076949 /nfs/dbraw/zinc/07/69/49/651076949.db2.gz CXQUAJAAHAMDMB-UHFFFAOYSA-N 1 3 306.450 2.458 20 0 DEADHO COCC[N@@H+](C)CCCNCc1ccc2c(c1)CC(C)(C)O2 ZINC000105418501 651076951 /nfs/dbraw/zinc/07/69/51/651076951.db2.gz CXQUAJAAHAMDMB-UHFFFAOYSA-N 1 3 306.450 2.458 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000844164154 651085054 /nfs/dbraw/zinc/08/50/54/651085054.db2.gz IDMMOCGAMIOUPH-OKILXGFUSA-N 1 3 301.434 2.297 20 0 DEADHO CC[NH+](CC)CCO[C@H]1CCN(CC2(Br)CC2)C1 ZINC000846811225 651353865 /nfs/dbraw/zinc/35/38/65/651353865.db2.gz KTSNHZYALJMZAE-ZDUSSCGKSA-N 1 3 319.287 2.347 20 0 DEADHO CCN1C[C@H](CN2CCC(CCC[NH+]3CCCC3)CC2)OC1=O ZINC000846834087 651355526 /nfs/dbraw/zinc/35/55/26/651355526.db2.gz KDQXDGAKOXQPIK-KRWDZBQOSA-N 1 3 323.481 2.415 20 0 DEADHO CC[C@@H](C)NC(=[NH2+])NCC1(N2CCC(OC)CC2)CCCC1 ZINC000849006549 651579487 /nfs/dbraw/zinc/57/94/87/651579487.db2.gz PXQQJYSVUZLTAD-CQSZACIVSA-N 1 3 310.486 2.322 20 0 DEADHO CCC(CC)[C@@H](CCNC(=[NH2+])NC[C@H]1CCCN1CC)OC ZINC000849014233 651582822 /nfs/dbraw/zinc/58/28/22/651582822.db2.gz QLDJKCOOCNXAEB-HZPDHXFCSA-N 1 3 312.502 2.426 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1cc(C)c(O)c(C)c1 ZINC000849021257 651584893 /nfs/dbraw/zinc/58/48/93/651584893.db2.gz GCJSYPKLBTUAAZ-INIZCTEOSA-N 1 3 318.465 2.150 20 0 DEADHO CCCN1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1OC ZINC000849027997 651588141 /nfs/dbraw/zinc/58/81/41/651588141.db2.gz UNVPZXUWSQOPFI-HNNXBMFYSA-N 1 3 304.438 2.184 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC[C@]1(C)C[C@]1(F)Cl ZINC000849047707 651594613 /nfs/dbraw/zinc/59/46/13/651594613.db2.gz SNCVEHZGSQPZQJ-MRVWCRGKSA-N 1 3 304.841 2.289 20 0 DEADHO Cc1noc(C(C)C)c1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000855346165 651679644 /nfs/dbraw/zinc/67/96/44/651679644.db2.gz PTPMIJBVNVUXPP-ZDUSSCGKSA-N 1 3 324.469 2.108 20 0 DEADHO Cc1noc(C(C)C)c1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000855346165 651679647 /nfs/dbraw/zinc/67/96/47/651679647.db2.gz PTPMIJBVNVUXPP-ZDUSSCGKSA-N 1 3 324.469 2.108 20 0 DEADHO Cc1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)n(C)n1 ZINC000850362995 651911703 /nfs/dbraw/zinc/91/17/03/651911703.db2.gz XTIJVUQGGIZBFN-UHFFFAOYSA-N 1 3 313.449 2.125 20 0 DEADHO COC(=O)N(C)CC[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000850548333 651950817 /nfs/dbraw/zinc/95/08/17/651950817.db2.gz OMQXCOMEUUQPDG-RDJZCZTQSA-N 1 3 319.449 2.185 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)sc2C)C1)N(C)C ZINC001389974492 1155487638 /nfs/dbraw/zinc/48/76/38/1155487638.db2.gz GNGFBSXQSTZTCF-OWCLPIDISA-N 1 3 323.506 2.442 20 0 DEADHO O=C(C[C@H]1NCc2ccccc21)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000851636820 652194453 /nfs/dbraw/zinc/19/44/53/652194453.db2.gz STSCDPXTWPAOBY-RTBURBONSA-N 1 3 321.424 2.224 20 0 DEADHO CC(C)[C@H]([NH2+]C[C@H](O)CN(C)C(C)C)[C@@H](O)c1ccccc1 ZINC000852036179 652320553 /nfs/dbraw/zinc/32/05/53/652320553.db2.gz SYFBAQWZPIAOPT-BZSNNMDCSA-N 1 3 308.466 2.035 20 0 DEADHO CN1CC[C@]2(C1)CCC[N@H+](CCCNC(=O)OC(C)(C)C)C2 ZINC000852104786 652341092 /nfs/dbraw/zinc/34/10/92/652341092.db2.gz FUDNBDZULDPVMF-KRWDZBQOSA-N 1 3 311.470 2.319 20 0 DEADHO CN1CC[C@]2(C1)CCC[N@@H+](CCCNC(=O)OC(C)(C)C)C2 ZINC000852104786 652341095 /nfs/dbraw/zinc/34/10/95/652341095.db2.gz FUDNBDZULDPVMF-KRWDZBQOSA-N 1 3 311.470 2.319 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](CC)[NH2+]C/C=C/Cl ZINC001373761958 1157347049 /nfs/dbraw/zinc/34/70/49/1157347049.db2.gz QFNFMPWKZNRLBC-RTIZMKJZSA-N 1 3 301.862 2.098 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CC2)CCCC1 ZINC001374161184 1157679003 /nfs/dbraw/zinc/67/90/03/1157679003.db2.gz OKQIAUZUUDGQKC-MRXNPFEDSA-N 1 3 307.482 2.289 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCC2CC2)CC1(C)C)N(C)C ZINC001394313239 1158409140 /nfs/dbraw/zinc/40/91/40/1158409140.db2.gz UJJUSIMTDDDSMG-HZPDHXFCSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCC2CC2)CC1(C)C)N(C)C ZINC001394313239 1158409154 /nfs/dbraw/zinc/40/91/54/1158409154.db2.gz UJJUSIMTDDDSMG-HZPDHXFCSA-N 1 3 309.498 2.199 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000382764636 685405971 /nfs/dbraw/zinc/40/59/71/685405971.db2.gz QVGNLZTTYUPLDZ-QAPCUYQASA-N 1 3 315.461 2.237 20 0 DEADHO CC(C)(C)[NH2+]CCC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000393770920 685453725 /nfs/dbraw/zinc/45/37/25/685453725.db2.gz HBQJLIAOICXHOJ-INIZCTEOSA-N 1 3 303.450 2.155 20 0 DEADHO C[C@H]1[NH2+]CCC[C@@H]1NCCCOCCOCc1ccccc1 ZINC000396707797 685462706 /nfs/dbraw/zinc/46/27/06/685462706.db2.gz NXJFITVMMWTCBH-AEFFLSMTSA-N 1 3 306.450 2.340 20 0 DEADHO C[C@@H]1[C@H](NC(=O)c2cccc(CN3CCCCC3)c2)CC[N@@H+]1C ZINC000928430000 693777825 /nfs/dbraw/zinc/77/78/25/693777825.db2.gz FBIMUFXMZJFBJE-CRAIPNDOSA-N 1 3 315.461 2.495 20 0 DEADHO C[C@@H]1[C@H](NC(=O)c2cccc(CN3CCCCC3)c2)CC[N@H+]1C ZINC000928430000 693777827 /nfs/dbraw/zinc/77/78/27/693777827.db2.gz FBIMUFXMZJFBJE-CRAIPNDOSA-N 1 3 315.461 2.495 20 0 DEADHO C[C@H]1CCCN1CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000154488858 684267286 /nfs/dbraw/zinc/26/72/86/684267286.db2.gz PREDCLBGUYLILI-INIZCTEOSA-N 1 3 315.461 2.252 20 0 DEADHO CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001054129190 693856082 /nfs/dbraw/zinc/85/60/82/693856082.db2.gz MGFVJQJIWUFVQZ-AEFFLSMTSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001054129190 693856084 /nfs/dbraw/zinc/85/60/84/693856084.db2.gz MGFVJQJIWUFVQZ-AEFFLSMTSA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CC)C2)C1 ZINC001054245612 693898342 /nfs/dbraw/zinc/89/83/42/693898342.db2.gz WWIBKQNCGCDAEP-AEFFLSMTSA-N 1 3 307.482 2.195 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CC)C2)C1 ZINC001054245612 693898346 /nfs/dbraw/zinc/89/83/46/693898346.db2.gz WWIBKQNCGCDAEP-AEFFLSMTSA-N 1 3 307.482 2.195 20 0 DEADHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000859212196 685682430 /nfs/dbraw/zinc/68/24/30/685682430.db2.gz HNEHUGOGWGATGQ-INIZCTEOSA-N 1 3 302.418 2.276 20 0 DEADHO CC(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001394848215 1158811758 /nfs/dbraw/zinc/81/17/58/1158811758.db2.gz OFPIVRUMJZFBRM-RDJZCZTQSA-N 1 3 311.514 2.445 20 0 DEADHO CCOc1cc(F)cc(C[NH2+]C[C@@H](C)N2CCN(CC)CC2)c1 ZINC000865414013 687203488 /nfs/dbraw/zinc/20/34/88/687203488.db2.gz GFPAIYOSSLCAQX-OAHLLOKOSA-N 1 3 323.456 2.340 20 0 DEADHO C[C@H]1CN(CCCC[NH2+]Cc2cn(C3CC3)cn2)C[C@H](C)O1 ZINC000865471109 687224785 /nfs/dbraw/zinc/22/47/85/687224785.db2.gz KPGZPJMQOWDRGY-GJZGRUSLSA-N 1 3 306.454 2.197 20 0 DEADHO C[NH+](C)C1(C)CCC(N[C@H](c2nnc[nH]2)c2cccnc2)CC1 ZINC000866517780 687597637 /nfs/dbraw/zinc/59/76/37/687597637.db2.gz MQCUJMIAYHXEMX-CKDBGZEDSA-N 1 3 314.437 2.142 20 0 DEADHO CCOCCOCC[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000930279118 694126508 /nfs/dbraw/zinc/12/65/08/694126508.db2.gz PXMXSMFNTMHOHO-KDURUIRLSA-N 1 3 318.461 2.103 20 0 DEADHO CCOCCOCC[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000930279118 694126510 /nfs/dbraw/zinc/12/65/10/694126510.db2.gz PXMXSMFNTMHOHO-KDURUIRLSA-N 1 3 318.461 2.103 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CC23CC[NH+](CC2CCC2)CC3)C1 ZINC001016820589 687709589 /nfs/dbraw/zinc/70/95/89/687709589.db2.gz RWYOYIPXNABEKX-NVXWUHKLSA-N 1 3 319.493 2.099 20 0 DEADHO CCCC[NH+]1CCC2(C[C@@H]2NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001016827901 687711568 /nfs/dbraw/zinc/71/15/68/687711568.db2.gz AFKSZQLXEAQEDH-CVEARBPZSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@H](C[N@H+](C)CC3CCC3)C2)C1 ZINC001017209628 687824922 /nfs/dbraw/zinc/82/49/22/687824922.db2.gz RQRGWUIEZFLSIR-FUHWJXTLSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@H](C[N@@H+](C)CC3CCC3)C2)C1 ZINC001017209628 687824925 /nfs/dbraw/zinc/82/49/25/687824925.db2.gz RQRGWUIEZFLSIR-FUHWJXTLSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001018301918 688104209 /nfs/dbraw/zinc/10/42/09/688104209.db2.gz MNXRPPMKRNAVTK-WNKDZCFJSA-N 1 3 307.482 2.190 20 0 DEADHO CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001018301918 688104212 /nfs/dbraw/zinc/10/42/12/688104212.db2.gz MNXRPPMKRNAVTK-WNKDZCFJSA-N 1 3 307.482 2.190 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1C ZINC001018630881 688189130 /nfs/dbraw/zinc/18/91/30/688189130.db2.gz AVBDHEPBBWWBMC-ROUUACIJSA-N 1 3 315.461 2.088 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3ccsc3)C2)CC[N@@H+]1C ZINC001018872549 688245015 /nfs/dbraw/zinc/24/50/15/688245015.db2.gz FUUAFQJYHBQAJT-HRCADAONSA-N 1 3 321.490 2.169 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3ccsc3)C2)CC[N@H+]1C ZINC001018872549 688245018 /nfs/dbraw/zinc/24/50/18/688245018.db2.gz FUUAFQJYHBQAJT-HRCADAONSA-N 1 3 321.490 2.169 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001018999126 688267255 /nfs/dbraw/zinc/26/72/55/688267255.db2.gz HFXOTFYXSCKRER-ROUUACIJSA-N 1 3 317.477 2.272 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001019380626 688342600 /nfs/dbraw/zinc/34/26/00/688342600.db2.gz HLAFBNVDANHPKE-WMZOPIPTSA-N 1 3 315.461 2.170 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001019383056 688343026 /nfs/dbraw/zinc/34/30/26/688343026.db2.gz UKYVLUWTDCHIPO-WMZOPIPTSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2C)C1)N(C)C ZINC001019394321 688345292 /nfs/dbraw/zinc/34/52/92/688345292.db2.gz FOZCSYRSEWKQGK-IRXDYDNUSA-N 1 3 321.440 2.165 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCc3ccccc32)C1)N(C)C ZINC001019394502 688345651 /nfs/dbraw/zinc/34/56/51/688345651.db2.gz JOHZQNZGSUZXGD-JQHSSLGASA-N 1 3 315.461 2.205 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)CN1Cc1ccccc1 ZINC000870906694 688682832 /nfs/dbraw/zinc/68/28/32/688682832.db2.gz PNNWLXKYOXANKM-BGTYHANMSA-N 1 3 315.461 2.283 20 0 DEADHO C[C@@H]1CCCN(CCCS(=O)(=O)C(C)(C)C)[C@@H]1CCC[NH3+] ZINC000872145135 688936257 /nfs/dbraw/zinc/93/62/57/688936257.db2.gz MHWVHGYXWNODQQ-HUUCEWRRSA-N 1 3 318.527 2.429 20 0 DEADHO CC(C)CNC(=O)CN1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156729 688940487 /nfs/dbraw/zinc/94/04/87/688940487.db2.gz CRSDPTHCTLRZJF-WBVHZDCISA-N 1 3 309.498 2.378 20 0 DEADHO C[C@H](C(=O)NC1CC1)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158152 688941023 /nfs/dbraw/zinc/94/10/23/688941023.db2.gz XRXQZAPVNRSNFF-KEYYUXOJSA-N 1 3 307.482 2.273 20 0 DEADHO [NH3+][C@@H](C[C@H]1CCCN(CC(=O)N2CCCC2)C1)C1CCCC1 ZINC000872158016 688941495 /nfs/dbraw/zinc/94/14/95/688941495.db2.gz RNLTYAWCQDWZCF-WBVHZDCISA-N 1 3 307.482 2.228 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(Cc2ccccc2)C1 ZINC001031666082 688976373 /nfs/dbraw/zinc/97/63/73/688976373.db2.gz LGJZRKJVGKPJON-GOSISDBHSA-N 1 3 315.461 2.107 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1CN(Cc2ccccc2)C1 ZINC001031666082 688976375 /nfs/dbraw/zinc/97/63/75/688976375.db2.gz LGJZRKJVGKPJON-GOSISDBHSA-N 1 3 315.461 2.107 20 0 DEADHO CC1(C)CC[NH2+]CCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000872297247 688976834 /nfs/dbraw/zinc/97/68/34/688976834.db2.gz KTZQIWNPXRKNCO-UHFFFAOYSA-N 1 3 315.461 2.497 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC(C)C ZINC001032433155 689149361 /nfs/dbraw/zinc/14/93/61/689149361.db2.gz KOFNHQOZBOIMLH-ULQDDVLXSA-N 1 3 307.482 2.192 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC(C)C ZINC001032433155 689149364 /nfs/dbraw/zinc/14/93/64/689149364.db2.gz KOFNHQOZBOIMLH-ULQDDVLXSA-N 1 3 307.482 2.192 20 0 DEADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC(C)(C)C1)C1CC1 ZINC001032446234 689153749 /nfs/dbraw/zinc/15/37/49/689153749.db2.gz YPVOZEFHRDVWHN-YESZJQIVSA-N 1 3 319.493 2.048 20 0 DEADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CC(C)(C)C1)C1CC1 ZINC001032446234 689153751 /nfs/dbraw/zinc/15/37/51/689153751.db2.gz YPVOZEFHRDVWHN-YESZJQIVSA-N 1 3 319.493 2.048 20 0 DEADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001032493486 689167050 /nfs/dbraw/zinc/16/70/50/689167050.db2.gz VXLQETORNXOZJR-OKZBNKHCSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001032493486 689167052 /nfs/dbraw/zinc/16/70/52/689167052.db2.gz VXLQETORNXOZJR-OKZBNKHCSA-N 1 3 321.509 2.438 20 0 DEADHO CCOC(=O)[C@H]1CCCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873201896 689182173 /nfs/dbraw/zinc/18/21/73/689182173.db2.gz PBNKATJBDORBCQ-LBPRGKRZSA-N 1 3 308.447 2.169 20 0 DEADHO CCOC(=O)[C@@H]1CCCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873201895 689182187 /nfs/dbraw/zinc/18/21/87/689182187.db2.gz PBNKATJBDORBCQ-GFCCVEGCSA-N 1 3 308.447 2.169 20 0 DEADHO COC(=O)[C@@H]1CCN(Cc2cc3c(s2)CC[NH2+]C3)C[C@@H]1C ZINC000873212555 689185393 /nfs/dbraw/zinc/18/53/93/689185393.db2.gz NKIROXVPMFLUQV-SMDDNHRTSA-N 1 3 308.447 2.025 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(CC=C(C)C)C2)CC[N@@H+]1C ZINC001033098043 689385913 /nfs/dbraw/zinc/38/59/13/689385913.db2.gz BAHNMKBYESHGPY-IXDOHACOSA-N 1 3 307.482 2.216 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(CC=C(C)C)C2)CC[N@H+]1C ZINC001033098043 689385915 /nfs/dbraw/zinc/38/59/15/689385915.db2.gz BAHNMKBYESHGPY-IXDOHACOSA-N 1 3 307.482 2.216 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001033295573 689452237 /nfs/dbraw/zinc/45/22/37/689452237.db2.gz MISRIKRUGLWROF-DLBZAZTESA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001033295573 689452240 /nfs/dbraw/zinc/45/22/40/689452240.db2.gz MISRIKRUGLWROF-DLBZAZTESA-N 1 3 307.482 2.050 20 0 DEADHO C[C@H]1CCCN1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001033415715 689493862 /nfs/dbraw/zinc/49/38/62/689493862.db2.gz KEOXMWDHJLTOQX-FUHWJXTLSA-N 1 3 315.461 2.204 20 0 DEADHO C[C@H]1CCCN1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001033415715 689493865 /nfs/dbraw/zinc/49/38/65/689493865.db2.gz KEOXMWDHJLTOQX-FUHWJXTLSA-N 1 3 315.461 2.204 20 0 DEADHO C[C@H](C(=O)N(C)[C@@H]1CCN(CCCF)C1)[NH+]1CCCCCC1 ZINC001033466578 689511055 /nfs/dbraw/zinc/51/10/55/689511055.db2.gz GAOAADKHFVUOBE-HZPDHXFCSA-N 1 3 313.461 2.143 20 0 DEADHO C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CCCF)C1)N1CCCCCC1 ZINC001033466578 689511058 /nfs/dbraw/zinc/51/10/58/689511058.db2.gz GAOAADKHFVUOBE-HZPDHXFCSA-N 1 3 313.461 2.143 20 0 DEADHO C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](CCCF)C1)N1CCCCCC1 ZINC001033466578 689511061 /nfs/dbraw/zinc/51/10/61/689511061.db2.gz GAOAADKHFVUOBE-HZPDHXFCSA-N 1 3 313.461 2.143 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCCF)C1 ZINC001033472058 689513232 /nfs/dbraw/zinc/51/32/32/689513232.db2.gz RGUAXYYXOCOKTL-HOTGVXAUSA-N 1 3 313.461 2.142 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCCF)C1 ZINC001033472058 689513233 /nfs/dbraw/zinc/51/32/33/689513233.db2.gz RGUAXYYXOCOKTL-HOTGVXAUSA-N 1 3 313.461 2.142 20 0 DEADHO CCN(C(=O)[C@@H]1CCCN1C(C)C)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001033825641 689628231 /nfs/dbraw/zinc/62/82/31/689628231.db2.gz GJKFMLKEAXRQGF-SJORKVTESA-N 1 3 309.498 2.438 20 0 DEADHO CCN(C(=O)[C@@H]1CCCN1C(C)C)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001033825641 689628232 /nfs/dbraw/zinc/62/82/32/689628232.db2.gz GJKFMLKEAXRQGF-SJORKVTESA-N 1 3 309.498 2.438 20 0 DEADHO CN1CCCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000876205310 689781577 /nfs/dbraw/zinc/78/15/77/689781577.db2.gz KBQAJXWXXCXQHA-QGZVFWFLSA-N 1 3 322.497 2.131 20 0 DEADHO CN1CCCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000876205310 689781582 /nfs/dbraw/zinc/78/15/82/689781582.db2.gz KBQAJXWXXCXQHA-QGZVFWFLSA-N 1 3 322.497 2.131 20 0 DEADHO CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCN2CC(C)C)C1 ZINC001034289295 689797094 /nfs/dbraw/zinc/79/70/94/689797094.db2.gz SJMKJUKXYYTZOZ-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCN2CC(C)C)C1 ZINC001034289295 689797097 /nfs/dbraw/zinc/79/70/97/689797097.db2.gz SJMKJUKXYYTZOZ-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@@H+]1CCCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001034534796 689890148 /nfs/dbraw/zinc/89/01/48/689890148.db2.gz BPROIQXDBRYUJZ-KRWDZBQOSA-N 1 3 303.450 2.352 20 0 DEADHO CC[N@H+]1CCCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001034534796 689890149 /nfs/dbraw/zinc/89/01/49/689890149.db2.gz BPROIQXDBRYUJZ-KRWDZBQOSA-N 1 3 303.450 2.352 20 0 DEADHO CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001034543394 689892952 /nfs/dbraw/zinc/89/29/52/689892952.db2.gz FNFUWKJOQQRTGN-MRXNPFEDSA-N 1 3 303.450 2.352 20 0 DEADHO CC[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001034543394 689892956 /nfs/dbraw/zinc/89/29/56/689892956.db2.gz FNFUWKJOQQRTGN-MRXNPFEDSA-N 1 3 303.450 2.352 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)/C=C\[C@H]2CCC[NH2+]C2)CC1 ZINC000876732837 689920097 /nfs/dbraw/zinc/92/00/97/689920097.db2.gz HOZHFAFHMFCHRX-MWWKQMNYSA-N 1 3 307.482 2.123 20 0 DEADHO CC1CC(C[NH2+]C[C@H]2CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001034957949 689998999 /nfs/dbraw/zinc/99/89/99/689998999.db2.gz QSAILNZIHRJBJK-VMBOVVBDSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[NH2+]C[C@H]1CCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001035050144 690021030 /nfs/dbraw/zinc/02/10/30/690021030.db2.gz VVRUOEMRWNXXIU-RHSMWYFYSA-N 1 3 313.461 2.188 20 0 DEADHO CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)N(C)C)CC2 ZINC001035193830 690056060 /nfs/dbraw/zinc/05/60/60/690056060.db2.gz QGBXJIMMSSITAM-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)N(C)C)CC2 ZINC001035193830 690056063 /nfs/dbraw/zinc/05/60/63/690056063.db2.gz QGBXJIMMSSITAM-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H](C(=O)NC[C@H]1Cc2ccccc2CN1)[C@@H]([NH3+])c1ccccc1 ZINC000877347146 690084448 /nfs/dbraw/zinc/08/44/48/690084448.db2.gz RJACVQHXYTUEBV-GDIGMMSISA-N 1 3 323.440 2.153 20 0 DEADHO CC(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H](C(C)C)N(C)C)CC2 ZINC001035726864 690162418 /nfs/dbraw/zinc/16/24/18/690162418.db2.gz GBNFOABOMBCYLD-INIZCTEOSA-N 1 3 309.498 2.153 20 0 DEADHO COc1cnc(F)c(CNCC2CC[NH+](CC3CC3)CC2)c1 ZINC000877642074 690177051 /nfs/dbraw/zinc/17/70/51/690177051.db2.gz GANJXBYDIYBOMV-UHFFFAOYSA-N 1 3 307.413 2.441 20 0 DEADHO CC(C)(C)CC[NH+]1CC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001035850816 690193466 /nfs/dbraw/zinc/19/34/66/690193466.db2.gz FQMDQYCZWOTUMM-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CCC1CC1 ZINC001036064788 690250663 /nfs/dbraw/zinc/25/06/63/690250663.db2.gz NGEATJVLDFAIIP-PBHICJAKSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CCC1CC1 ZINC001036064791 690250674 /nfs/dbraw/zinc/25/06/74/690250674.db2.gz NGEATJVLDFAIIP-YOEHRIQHSA-N 1 3 307.482 2.097 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CCC3CC3)[C@@H](C)C2)CC1 ZINC001036224904 690294825 /nfs/dbraw/zinc/29/48/25/690294825.db2.gz MJAYKDBORUXGTA-FUHWJXTLSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H](c1ccccc1)[C@H](O)CN1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931315664 694365294 /nfs/dbraw/zinc/36/52/94/694365294.db2.gz YZQWMPJWZRICKA-YSHGAJCASA-N 1 3 302.462 2.425 20 0 DEADHO C[C@@H]1C[C@@H](c2ccccc2)N(CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878611960 690455339 /nfs/dbraw/zinc/45/53/39/690455339.db2.gz DVLQBOAKAKRHCZ-QAPCUYQASA-N 1 3 315.461 2.280 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@H]21 ZINC001036853536 690500036 /nfs/dbraw/zinc/50/00/36/690500036.db2.gz WAINJLIXUKHLDY-QZTJIDSGSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@H]21 ZINC001036853536 690500038 /nfs/dbraw/zinc/50/00/38/690500038.db2.gz WAINJLIXUKHLDY-QZTJIDSGSA-N 1 3 321.509 2.297 20 0 DEADHO CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@H]21 ZINC001036902777 690522122 /nfs/dbraw/zinc/52/21/22/690522122.db2.gz PTZHNYVBNKKZKK-SJLPKXTDSA-N 1 3 315.461 2.305 20 0 DEADHO CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@H]21 ZINC001036902777 690522123 /nfs/dbraw/zinc/52/21/23/690522123.db2.gz PTZHNYVBNKKZKK-SJLPKXTDSA-N 1 3 315.461 2.305 20 0 DEADHO CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC001037120353 690573756 /nfs/dbraw/zinc/57/37/56/690573756.db2.gz HXUWWWCRXDVJMH-YOEHRIQHSA-N 1 3 303.450 2.256 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001037243436 690597532 /nfs/dbraw/zinc/59/75/32/690597532.db2.gz AMALMSKWWQPUBL-HZPDHXFCSA-N 1 3 318.465 2.325 20 0 DEADHO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCC3(CC2)CC[NH+](C)CC3)C1 ZINC000879247329 690602488 /nfs/dbraw/zinc/60/24/88/690602488.db2.gz RWQYRFDNRJHVNJ-IAGOWNOFSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@H]1C[C@H](C)CN(C(=O)CN2CCC3(CC2)CC[NH+](C)CC3)C1 ZINC000879247332 690602591 /nfs/dbraw/zinc/60/25/91/690602591.db2.gz RWQYRFDNRJHVNJ-IRXDYDNUSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2CCCC2CCC2)CC[N@@H+]1C ZINC001038265857 690762567 /nfs/dbraw/zinc/76/25/67/690762567.db2.gz NNXVNYHBHSJRCN-DJIMGWMZSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2CCCC2CCC2)CC[N@H+]1C ZINC001038265857 690762569 /nfs/dbraw/zinc/76/25/69/690762569.db2.gz NNXVNYHBHSJRCN-DJIMGWMZSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2CCC2CCCC2)CC[N@@H+]1C ZINC001038268513 690763022 /nfs/dbraw/zinc/76/30/22/690763022.db2.gz JRIIUNOWLRKLHS-DJIMGWMZSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2CCC2CCCC2)CC[N@H+]1C ZINC001038268513 690763025 /nfs/dbraw/zinc/76/30/25/690763025.db2.gz JRIIUNOWLRKLHS-DJIMGWMZSA-N 1 3 307.482 2.097 20 0 DEADHO O=C(NC[C@@H]1CCN1CCCC1CCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001038269772 690763899 /nfs/dbraw/zinc/76/38/99/690763899.db2.gz QDXMEMJYKULHBV-ROUUACIJSA-N 1 3 319.493 2.099 20 0 DEADHO O=C(NC[C@@H]1CCN1CC1CCCCC1)C12CCC[NH+]1CCC2 ZINC001038451913 690826043 /nfs/dbraw/zinc/82/60/43/690826043.db2.gz AGNNHCRDKLDDFA-KRWDZBQOSA-N 1 3 319.493 2.386 20 0 DEADHO C[C@@H]1CN(CC[C@H]2COC(C)(C)O2)CCN1c1cc[nH+]cc1 ZINC000880258109 690853631 /nfs/dbraw/zinc/85/36/31/690853631.db2.gz CHHMNISWMQBLKM-ZBFHGGJFSA-N 1 3 305.422 2.134 20 0 DEADHO CC(C)N(C)C[C@@H](O)C[N@H+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000880553667 690925977 /nfs/dbraw/zinc/92/59/77/690925977.db2.gz SAQHMTPVOBEKHR-QZTJIDSGSA-N 1 3 317.477 2.172 20 0 DEADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000880553667 690925982 /nfs/dbraw/zinc/92/59/82/690925982.db2.gz SAQHMTPVOBEKHR-QZTJIDSGSA-N 1 3 317.477 2.172 20 0 DEADHO O=C(NC[C@@H]1CCN1CCCC1CCCC1)C12CC[NH+](CC1)C2 ZINC001038926132 690968364 /nfs/dbraw/zinc/96/83/64/690968364.db2.gz NUAGSOMHIUSUCM-KRWDZBQOSA-N 1 3 319.493 2.243 20 0 DEADHO C[NH+](C)CC1(O)CCN(CCc2nsc3ccccc32)CC1 ZINC000931482040 694408971 /nfs/dbraw/zinc/40/89/71/694408971.db2.gz ZLRHYJGZIPOVAI-UHFFFAOYSA-N 1 3 319.474 2.227 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@@H+]1CCC1CC1 ZINC001039051917 691004080 /nfs/dbraw/zinc/00/40/80/691004080.db2.gz ZNFCZVPSFIFKNE-KRWDZBQOSA-N 1 3 315.461 2.352 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@H+]1CCC1CC1 ZINC001039051917 691004083 /nfs/dbraw/zinc/00/40/83/691004083.db2.gz ZNFCZVPSFIFKNE-KRWDZBQOSA-N 1 3 315.461 2.352 20 0 DEADHO CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001039112995 691022145 /nfs/dbraw/zinc/02/21/45/691022145.db2.gz KBIIJLZSNBSGGG-SJORKVTESA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001039112995 691022146 /nfs/dbraw/zinc/02/21/46/691022146.db2.gz KBIIJLZSNBSGGG-SJORKVTESA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001039163365 691036831 /nfs/dbraw/zinc/03/68/31/691036831.db2.gz BEYPJLWJAPMDEO-WMZOPIPTSA-N 1 3 321.509 2.299 20 0 DEADHO CCC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001039163365 691036834 /nfs/dbraw/zinc/03/68/34/691036834.db2.gz BEYPJLWJAPMDEO-WMZOPIPTSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH]cn1 ZINC001039460202 691110665 /nfs/dbraw/zinc/11/06/65/691110665.db2.gz FSHPODZOLAZWDM-CABCVRRESA-N 1 3 318.465 2.409 20 0 DEADHO CC(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH]cn1 ZINC001039460202 691110667 /nfs/dbraw/zinc/11/06/67/691110667.db2.gz FSHPODZOLAZWDM-CABCVRRESA-N 1 3 318.465 2.409 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001039474420 691114965 /nfs/dbraw/zinc/11/49/65/691114965.db2.gz HGWAXQKOOLGVTQ-IKGGRYGDSA-N 1 3 307.482 2.192 20 0 DEADHO CC[N@H+](CC1CC1)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001039489082 691117992 /nfs/dbraw/zinc/11/79/92/691117992.db2.gz JXKBZHYKEHFSGK-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+](CC1CC1)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001039489082 691117993 /nfs/dbraw/zinc/11/79/93/691117993.db2.gz JXKBZHYKEHFSGK-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001040241863 691218957 /nfs/dbraw/zinc/21/89/57/691218957.db2.gz UMQJOCQPFMQIKT-WMZOPIPTSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001040241863 691218960 /nfs/dbraw/zinc/21/89/60/691218960.db2.gz UMQJOCQPFMQIKT-WMZOPIPTSA-N 1 3 307.482 2.051 20 0 DEADHO CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001040263193 691222391 /nfs/dbraw/zinc/22/23/91/691222391.db2.gz ZYTYYEFYUPIXNO-SJLPKXTDSA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001040263193 691222393 /nfs/dbraw/zinc/22/23/93/691222393.db2.gz ZYTYYEFYUPIXNO-SJLPKXTDSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC2(C1)CC[NH+](CC1CC1)CC2)N(C)C ZINC001040735097 691283245 /nfs/dbraw/zinc/28/32/45/691283245.db2.gz JNZSCOQZIVBHOU-KRWDZBQOSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@H](F)CC[NH+]1CCC2(CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001040869901 691294369 /nfs/dbraw/zinc/29/43/69/691294369.db2.gz RCJHSKHCNXSWMF-AWEZNQCLSA-N 1 3 322.428 2.015 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CCC3CC3)C2)C1)N(C)C ZINC001041378053 691369300 /nfs/dbraw/zinc/36/93/00/691369300.db2.gz GKVAWFPLBPKSLI-HKUYNNGSSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CCC3CC3)C2)C1)N(C)C ZINC001041378053 691369303 /nfs/dbraw/zinc/36/93/03/691369303.db2.gz GKVAWFPLBPKSLI-HKUYNNGSSA-N 1 3 321.509 2.297 20 0 DEADHO [NH3+][C@@H](CC1CC1)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000884189698 691678378 /nfs/dbraw/zinc/67/83/78/691678378.db2.gz LCUXKNUWQAEPCG-ROUUACIJSA-N 1 3 315.461 2.457 20 0 DEADHO C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000884227943 691687075 /nfs/dbraw/zinc/68/70/75/691687075.db2.gz CHABVAWRMHYJBI-JQHSSLGASA-N 1 3 317.477 2.400 20 0 DEADHO C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000884227945 691687236 /nfs/dbraw/zinc/68/72/36/691687236.db2.gz CHABVAWRMHYJBI-NXHRZFHOSA-N 1 3 317.477 2.400 20 0 DEADHO CN(C)C[C@H](NC(=O)[C@@H]([NH3+])CC1CC1)c1ccc(Cl)cc1 ZINC000884313167 691707381 /nfs/dbraw/zinc/70/73/81/691707381.db2.gz XXJSWOZNOYVNDM-GJZGRUSLSA-N 1 3 309.841 2.186 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC2CC2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001044742205 691880990 /nfs/dbraw/zinc/88/09/90/691880990.db2.gz GWZNLYIREWSWJX-GDBMZVCRSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC2=CCCCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044749693 691881619 /nfs/dbraw/zinc/88/16/19/691881619.db2.gz KQLNKDOLHPCPAA-GDBMZVCRSA-N 1 3 316.449 2.422 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccsc2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044756929 691882512 /nfs/dbraw/zinc/88/25/12/691882512.db2.gz RUYYTFMSFSPQCJ-OCCSQVGLSA-N 1 3 318.446 2.183 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CC3CCC3)C[C@@H]2C)CC1 ZINC001044790128 691887911 /nfs/dbraw/zinc/88/79/11/691887911.db2.gz BPIFCGVPMULSEG-FUHWJXTLSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]Cc2ccsc2)CCN1C(=O)CN1CCCC1 ZINC001044858495 691898116 /nfs/dbraw/zinc/89/81/16/691898116.db2.gz SNOUUKCPJKRUAX-GDBMZVCRSA-N 1 3 321.490 2.313 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001044958900 691919611 /nfs/dbraw/zinc/91/96/11/691919611.db2.gz WPYDALLGHZOTKR-DLBZAZTESA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@@]2(CC[N@@H+](C(C)C)C2)C1)N(C)C ZINC001045966797 692064526 /nfs/dbraw/zinc/06/45/26/692064526.db2.gz GDMQCSKNTIFZQJ-WMZOPIPTSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@@]2(CC[N@H+](C(C)C)C2)C1)N(C)C ZINC001045966797 692064528 /nfs/dbraw/zinc/06/45/28/692064528.db2.gz GDMQCSKNTIFZQJ-WMZOPIPTSA-N 1 3 309.498 2.440 20 0 DEADHO CCCN1CCC([NH2+][C@@H](C)c2cncc(C(=O)OC)c2)CC1 ZINC000886493547 692093295 /nfs/dbraw/zinc/09/32/95/692093295.db2.gz PWNROIMNIQPCLP-ZDUSSCGKSA-N 1 3 305.422 2.393 20 0 DEADHO COC(=O)c1cncc([C@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000886501393 692094720 /nfs/dbraw/zinc/09/47/20/692094720.db2.gz ITCCNRMVGJTYAX-QWHCGFSZSA-N 1 3 303.406 2.003 20 0 DEADHO CC(C)[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1cnn(C)c1 ZINC000886600891 692128025 /nfs/dbraw/zinc/12/80/25/692128025.db2.gz DSSYNYQAGNCACB-WBVHZDCISA-N 1 3 308.470 2.208 20 0 DEADHO CC(C)[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cnn(C)c1 ZINC000886600891 692128027 /nfs/dbraw/zinc/12/80/27/692128027.db2.gz DSSYNYQAGNCACB-WBVHZDCISA-N 1 3 308.470 2.208 20 0 DEADHO OC[C@H](CCF)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886633375 692141183 /nfs/dbraw/zinc/14/11/83/692141183.db2.gz UKSOPVNPOYKCEX-FJIDUMEYSA-N 1 3 306.425 2.350 20 0 DEADHO OC[C@H](CCF)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886633375 692141187 /nfs/dbraw/zinc/14/11/87/692141187.db2.gz UKSOPVNPOYKCEX-FJIDUMEYSA-N 1 3 306.425 2.350 20 0 DEADHO OC[C@H](CCF)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886633375 692141190 /nfs/dbraw/zinc/14/11/90/692141190.db2.gz UKSOPVNPOYKCEX-FJIDUMEYSA-N 1 3 306.425 2.350 20 0 DEADHO C([C@H]1CC2(CO1)CCOCC2)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874774 692217852 /nfs/dbraw/zinc/21/78/52/692217852.db2.gz WOLFIFAKOMDBKV-AEFFLSMTSA-N 1 3 308.466 2.038 20 0 DEADHO CC[NH+]1CCC([C@@H]2CCCN(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001047255534 692403200 /nfs/dbraw/zinc/40/32/00/692403200.db2.gz ARKOQCMBVLSWMQ-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001048481185 692627445 /nfs/dbraw/zinc/62/74/45/692627445.db2.gz YGXLVYXSKVVDSE-RHSMWYFYSA-N 1 3 303.450 2.066 20 0 DEADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCC(C)(C)C)C[C@@H]3C2)C1 ZINC001049059039 692753886 /nfs/dbraw/zinc/75/38/86/692753886.db2.gz LLXLOFORPUJPKT-YESZJQIVSA-N 1 3 321.509 2.155 20 0 DEADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCC(C)(C)C)C[C@@H]3C2)C1 ZINC001049059039 692753890 /nfs/dbraw/zinc/75/38/90/692753890.db2.gz LLXLOFORPUJPKT-YESZJQIVSA-N 1 3 321.509 2.155 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CC3CCCC3)C[C@@H]2C1 ZINC001049056900 692754103 /nfs/dbraw/zinc/75/41/03/692754103.db2.gz CVURLXWVDIOOAX-RYQLBKOJSA-N 1 3 319.493 2.051 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CC3CCCC3)C[C@@H]2C1 ZINC001049056900 692754105 /nfs/dbraw/zinc/75/41/05/692754105.db2.gz CVURLXWVDIOOAX-RYQLBKOJSA-N 1 3 319.493 2.051 20 0 DEADHO CC(C)CC[N@H+]1C[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C1 ZINC001049056976 692754203 /nfs/dbraw/zinc/75/42/03/692754203.db2.gz GQVADWWUDMPXAY-CALCHBBNSA-N 1 3 321.509 2.155 20 0 DEADHO CC(C)CC[N@@H+]1C[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C1 ZINC001049056976 692754206 /nfs/dbraw/zinc/75/42/06/692754206.db2.gz GQVADWWUDMPXAY-CALCHBBNSA-N 1 3 321.509 2.155 20 0 DEADHO CCCC[N@H+]1C[C@H]2CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049231497 692795305 /nfs/dbraw/zinc/79/53/05/692795305.db2.gz CMONMVRJPISCNA-LUKYLMHMSA-N 1 3 307.482 2.050 20 0 DEADHO CCCC[N@@H+]1C[C@H]2CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049231497 692795308 /nfs/dbraw/zinc/79/53/08/692795308.db2.gz CMONMVRJPISCNA-LUKYLMHMSA-N 1 3 307.482 2.050 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCN1C(C)C ZINC001049463788 692890683 /nfs/dbraw/zinc/89/06/83/692890683.db2.gz JIZKUIMIGZBLMF-BBWFWOEESA-N 1 3 307.482 2.335 20 0 DEADHO CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCN1C(C)C ZINC001049463788 692890686 /nfs/dbraw/zinc/89/06/86/692890686.db2.gz JIZKUIMIGZBLMF-BBWFWOEESA-N 1 3 307.482 2.335 20 0 DEADHO CC(C)[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001050104572 693108923 /nfs/dbraw/zinc/10/89/23/693108923.db2.gz WRSMFFXUCVIFBP-KSZLIROESA-N 1 3 319.493 2.192 20 0 DEADHO CC(C)[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001050104572 693108924 /nfs/dbraw/zinc/10/89/24/693108924.db2.gz WRSMFFXUCVIFBP-KSZLIROESA-N 1 3 319.493 2.192 20 0 DEADHO CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001050207298 693138481 /nfs/dbraw/zinc/13/84/81/693138481.db2.gz JKRJEKCXIWHKCP-ZWKOTPCHSA-N 1 3 315.461 2.305 20 0 DEADHO CC[N@H+]1C[C@@H]2CCCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001050207298 693138482 /nfs/dbraw/zinc/13/84/82/693138482.db2.gz JKRJEKCXIWHKCP-ZWKOTPCHSA-N 1 3 315.461 2.305 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1 ZINC001050368039 693166814 /nfs/dbraw/zinc/16/68/14/693166814.db2.gz QWYQLMDTVXUCHO-XIRDDKMYSA-N 1 3 307.482 2.145 20 0 DEADHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2C)CC1 ZINC000925319141 693256821 /nfs/dbraw/zinc/25/68/21/693256821.db2.gz IJWQZWAKTBIRHA-NVXWUHKLSA-N 1 3 324.513 2.233 20 0 DEADHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2C)CC1 ZINC000925319141 693256827 /nfs/dbraw/zinc/25/68/27/693256827.db2.gz IJWQZWAKTBIRHA-NVXWUHKLSA-N 1 3 324.513 2.233 20 0 DEADHO CC(=O)N1CCC(C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925499993 693283560 /nfs/dbraw/zinc/28/35/60/693283560.db2.gz WAVHSMXEEDPJGF-QZTJIDSGSA-N 1 3 307.482 2.003 20 0 DEADHO CC(C)c1nc2n(n1)C[C@H](N[C@H]1[C@@H]3CCC[NH2+][C@@H]3C1(C)C)CC2 ZINC000925620808 693310472 /nfs/dbraw/zinc/31/04/72/693310472.db2.gz IEXGUYGSDNVKCO-VDERGJSUSA-N 1 3 317.481 2.083 20 0 DEADHO C(N[C@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@H]1COC2(CCCC2)O1 ZINC000925632156 693312835 /nfs/dbraw/zinc/31/28/35/693312835.db2.gz VMMUKUVXIROUOO-ULQDDVLXSA-N 1 3 308.466 2.430 20 0 DEADHO C([NH2+][C@H]1CCNC[C@H]1C1CCCC1)[C@H]1COC2(CCCC2)O1 ZINC000925632156 693312840 /nfs/dbraw/zinc/31/28/40/693312840.db2.gz VMMUKUVXIROUOO-ULQDDVLXSA-N 1 3 308.466 2.430 20 0 DEADHO O[C@H](CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)Cc1cccc(F)c1 ZINC000925681145 693323856 /nfs/dbraw/zinc/32/38/56/693323856.db2.gz STAPQZHUUIQVJW-FHWLQOOXSA-N 1 3 320.452 2.487 20 0 DEADHO CCS(=O)(=O)Nc1ccc([C@H](C)NCCC(C)(C)[NH3+])cc1 ZINC000925740312 693333269 /nfs/dbraw/zinc/33/32/69/693333269.db2.gz IGFZLKWVANPFKP-LBPRGKRZSA-N 1 3 313.467 2.226 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC(C)C1)N(C)C ZINC001051342198 693341394 /nfs/dbraw/zinc/34/13/94/693341394.db2.gz ZCCPFNNOLRRGDX-BHUNQDJPSA-N 1 3 309.498 2.343 20 0 DEADHO CC(=O)N1CCC[C@H](C[NH2+]C2CCN(CCC(C)C)CC2)C1 ZINC000926332524 693434208 /nfs/dbraw/zinc/43/42/08/693434208.db2.gz GGIIUYZUMLPCPA-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@]1(C)OCCc2sccc21 ZINC000926448993 693451386 /nfs/dbraw/zinc/45/13/86/693451386.db2.gz QRSGMYBGOLHASH-BHZYAJLCSA-N 1 3 306.475 2.466 20 0 DEADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@]1(C)OCCc2sccc21 ZINC000926448993 693451390 /nfs/dbraw/zinc/45/13/90/693451390.db2.gz QRSGMYBGOLHASH-BHZYAJLCSA-N 1 3 306.475 2.466 20 0 DEADHO CC(C)CCN1CCC([NH2+][C@@H]2CCO[C@H]2c2cnn(C)c2)CC1 ZINC000926612750 693479119 /nfs/dbraw/zinc/47/91/19/693479119.db2.gz AYAAJLWHRMUILQ-MSOLQXFVSA-N 1 3 320.481 2.350 20 0 DEADHO CCC[NH2+]Cc1ccc(CNC(=O)Cc2nc[nH]c2C)c(F)c1 ZINC001333479314 1150055216 /nfs/dbraw/zinc/05/52/16/1150055216.db2.gz HYIGGWZUZLDXOC-UHFFFAOYSA-N 1 3 318.396 2.216 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC2CCCC2)C1 ZINC001402422621 1162351592 /nfs/dbraw/zinc/35/15/92/1162351592.db2.gz ZJVHLIYPYMLZAJ-NVXWUHKLSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+]C[C@H](F)CC ZINC001402528766 1162380631 /nfs/dbraw/zinc/38/06/31/1162380631.db2.gz JNVZTHUVFPLFME-HUUCEWRRSA-N 1 3 301.450 2.047 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC2([NH2+]CC3CC3)CCC2)c1 ZINC001402579332 1162400097 /nfs/dbraw/zinc/40/00/97/1162400097.db2.gz PVKHEBHGJZVIJL-UHFFFAOYSA-N 1 3 315.461 2.400 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001402700361 1162444835 /nfs/dbraw/zinc/44/48/35/1162444835.db2.gz UKEXPJZZGYMXJU-MRXNPFEDSA-N 1 3 318.465 2.279 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001402700361 1162444837 /nfs/dbraw/zinc/44/48/37/1162444837.db2.gz UKEXPJZZGYMXJU-MRXNPFEDSA-N 1 3 318.465 2.279 20 0 DEADHO CC[C@H](C(=O)N1CCC(CC)([NH2+]C[C@@H](F)CC)CC1)N(C)C ZINC001402717950 1162449271 /nfs/dbraw/zinc/44/92/71/1162449271.db2.gz SLJZCQDVRYBFGF-LSDHHAIUSA-N 1 3 315.477 2.436 20 0 DEADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H]1CCC[N@H+](CCCF)C1 ZINC001402767807 1162465200 /nfs/dbraw/zinc/46/52/00/1162465200.db2.gz RFHGEJQZIJAZJL-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H]1CCC[N@@H+](CCCF)C1 ZINC001402767807 1162465203 /nfs/dbraw/zinc/46/52/03/1162465203.db2.gz RFHGEJQZIJAZJL-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]CCC(C)(C)C ZINC001402777283 1162468782 /nfs/dbraw/zinc/46/87/82/1162468782.db2.gz XTWORJSEUZBQNU-GJZGRUSLSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)C1CC1)N(C)C ZINC001379895013 1152709775 /nfs/dbraw/zinc/70/97/75/1152709775.db2.gz DSRZDUMOBZROEJ-HOTGVXAUSA-N 1 3 309.498 2.247 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001379911792 1152712357 /nfs/dbraw/zinc/71/23/57/1152712357.db2.gz CUPUXEPUDIZBAO-QGZVFWFLSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)N(C)CC(=O)NC1(C2CC[NH+](CCC3CC3)CC2)CC1 ZINC001380183883 1152763639 /nfs/dbraw/zinc/76/36/39/1152763639.db2.gz LJCRLCIBJAFAHB-UHFFFAOYSA-N 1 3 321.509 2.488 20 0 DEADHO CC1CCN(CCNC(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC001362049530 1152811125 /nfs/dbraw/zinc/81/11/25/1152811125.db2.gz AAJFHSMGIYOQJF-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC(C)C)C2 ZINC001380662356 1152840560 /nfs/dbraw/zinc/84/05/60/1152840560.db2.gz WVXWLMGVFGYCBV-ULQDDVLXSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC(C)C)C2 ZINC001380662356 1152840561 /nfs/dbraw/zinc/84/05/61/1152840561.db2.gz WVXWLMGVFGYCBV-ULQDDVLXSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC2CCCC2)C1 ZINC001380671352 1152842092 /nfs/dbraw/zinc/84/20/92/1152842092.db2.gz PJVYERFZKPDCGJ-NVXWUHKLSA-N 1 3 309.498 2.345 20 0 DEADHO CC[N@H+](C)Cc1ccccc1CNC(=O)CN1CC[C@@H](C)C1 ZINC001380776778 1152855473 /nfs/dbraw/zinc/85/54/73/1152855473.db2.gz DBLAKRMNTNOMHI-OAHLLOKOSA-N 1 3 303.450 2.096 20 0 DEADHO CC[N@@H+](C)Cc1ccccc1CNC(=O)CN1CC[C@@H](C)C1 ZINC001380776778 1152855476 /nfs/dbraw/zinc/85/54/76/1152855476.db2.gz DBLAKRMNTNOMHI-OAHLLOKOSA-N 1 3 303.450 2.096 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2ccsc2)CCC1 ZINC001380896115 1152875050 /nfs/dbraw/zinc/87/50/50/1152875050.db2.gz RIXLRGJDNLJCQF-UHFFFAOYSA-N 1 3 309.479 2.218 20 0 DEADHO C[C@H](CC[NH+](C)C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001362330602 1152878931 /nfs/dbraw/zinc/87/89/31/1152878931.db2.gz ZVAZZHGYRUVBPY-JFIYKMOQSA-N 1 3 317.477 2.211 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CCC[N@H+](CC3CCC3)CC2)CCC1 ZINC001380930812 1152879818 /nfs/dbraw/zinc/87/98/18/1152879818.db2.gz MLOFPVCFNMXWHJ-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CCC[N@@H+](CC3CCC3)CC2)CCC1 ZINC001380930812 1152879819 /nfs/dbraw/zinc/87/98/19/1152879819.db2.gz MLOFPVCFNMXWHJ-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC001362423039 1152900979 /nfs/dbraw/zinc/90/09/79/1152900979.db2.gz JONHGSWYLYRRAK-NVXWUHKLSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC001362423039 1152900981 /nfs/dbraw/zinc/90/09/81/1152900981.db2.gz JONHGSWYLYRRAK-NVXWUHKLSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC001362423047 1152901039 /nfs/dbraw/zinc/90/10/39/1152901039.db2.gz JONHGSWYLYRRAK-RDJZCZTQSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC001362423047 1152901041 /nfs/dbraw/zinc/90/10/41/1152901041.db2.gz JONHGSWYLYRRAK-RDJZCZTQSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1[NH2+]CCC1CC1 ZINC001381098687 1152907472 /nfs/dbraw/zinc/90/74/72/1152907472.db2.gz CNYSYEYQAKNTMS-ZBFHGGJFSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCc2cccs2)C1 ZINC001381105822 1152909981 /nfs/dbraw/zinc/90/99/81/1152909981.db2.gz FMJUOSVZMCXMHW-ZBFHGGJFSA-N 1 3 323.506 2.067 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)C(C)(C)C[NH+]2CCCCCC2)C1 ZINC001362518767 1152952910 /nfs/dbraw/zinc/95/29/10/1152952910.db2.gz LCPIWAZGZDLHNU-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO O=C(NC[C@@H]1CCCCN1C1CC1)C1C[NH+](C2CCCCC2)C1 ZINC001362841927 1153111646 /nfs/dbraw/zinc/11/16/46/1153111646.db2.gz KPLUXEWTSYJKSH-SFHVURJKSA-N 1 3 319.493 2.384 20 0 DEADHO CC(C)(C)OC(=O)N[C@H]1C[C@@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC001363430438 1153398702 /nfs/dbraw/zinc/39/87/02/1153398702.db2.gz UYUOMTZHUFVVSN-XQLPTFJDSA-N 1 3 309.454 2.259 20 0 DEADHO CC(C)(C)OC(=O)N[C@H]1C[C@@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC001363430438 1153398710 /nfs/dbraw/zinc/39/87/10/1153398710.db2.gz UYUOMTZHUFVVSN-XQLPTFJDSA-N 1 3 309.454 2.259 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CCC(C)(C)C)CN1C(=O)CN(C)C1CCC1 ZINC001382301628 1153416772 /nfs/dbraw/zinc/41/67/72/1153416772.db2.gz XTIOESRGIVAWFU-CABCVRRESA-N 1 3 309.498 2.486 20 0 DEADHO COC(=O)c1ccc(CNCC2CC[NH+](CC3CC3)CC2)nc1 ZINC001363661102 1153537349 /nfs/dbraw/zinc/53/73/49/1153537349.db2.gz SCKROJKFCNEGOW-UHFFFAOYSA-N 1 3 317.433 2.080 20 0 DEADHO CSC[C@H](O)CN1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001363816098 1153646555 /nfs/dbraw/zinc/64/65/55/1153646555.db2.gz RKCIPPCUCPVLGZ-JKSUJKDBSA-N 1 3 300.512 2.297 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C[C@@H]1CCN1CCC1CC1)[NH+]1CCCC1 ZINC001388668556 1155062419 /nfs/dbraw/zinc/06/24/19/1155062419.db2.gz ZCRWVGYEQFPCAF-ZWKOTPCHSA-N 1 3 321.509 2.440 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@H+](CCCF)CC[C@H]21 ZINC001389954109 1155481850 /nfs/dbraw/zinc/48/18/50/1155481850.db2.gz NMLHHNWPECJGIO-HZPDHXFCSA-N 1 3 313.461 2.001 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@@H+](CCCF)CC[C@H]21 ZINC001389954109 1155481851 /nfs/dbraw/zinc/48/18/51/1155481851.db2.gz NMLHHNWPECJGIO-HZPDHXFCSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C)C1)N(C)C ZINC001390001317 1155496018 /nfs/dbraw/zinc/49/60/18/1155496018.db2.gz SXBITYZCQYRTIT-BBWFWOEESA-N 1 3 303.450 2.072 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001390147655 1155544897 /nfs/dbraw/zinc/54/48/97/1155544897.db2.gz RDDGKKAJKOVDOL-GOEBONIOSA-N 1 3 313.461 2.190 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001390156037 1155548059 /nfs/dbraw/zinc/54/80/59/1155548059.db2.gz DGOVOHDADQAVFJ-CZUORRHYSA-N 1 3 318.465 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001390156037 1155548061 /nfs/dbraw/zinc/54/80/61/1155548061.db2.gz DGOVOHDADQAVFJ-CZUORRHYSA-N 1 3 318.465 2.277 20 0 DEADHO CC(C)C[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)N(C)C ZINC001371041585 1155665924 /nfs/dbraw/zinc/66/59/24/1155665924.db2.gz ILKMSKUVRWVSKQ-ZBRFXRBCSA-N 1 3 323.525 2.301 20 0 DEADHO CC(C)C[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)N(C)C ZINC001371041585 1155665930 /nfs/dbraw/zinc/66/59/30/1155665930.db2.gz ILKMSKUVRWVSKQ-ZBRFXRBCSA-N 1 3 323.525 2.301 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]([N@H+](C)CCCF)C1)CC(C)(C)C ZINC001390618256 1155816084 /nfs/dbraw/zinc/81/60/84/1155816084.db2.gz DSDQOZPMCVPKRV-OAHLLOKOSA-N 1 3 315.477 2.247 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]([N@@H+](C)CCCF)C1)CC(C)(C)C ZINC001390618256 1155816087 /nfs/dbraw/zinc/81/60/87/1155816087.db2.gz DSDQOZPMCVPKRV-OAHLLOKOSA-N 1 3 315.477 2.247 20 0 DEADHO Cc1cc(C[NH2+][C@H](C)CCNC(=O)Cc2nc[nH]c2C)cs1 ZINC001390720500 1155849185 /nfs/dbraw/zinc/84/91/85/1155849185.db2.gz SSWUDGFHPIWIAG-LLVKDONJSA-N 1 3 320.462 2.315 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC001371428468 1155850990 /nfs/dbraw/zinc/85/09/90/1155850990.db2.gz MPTAMPLOPGYLBH-WMLDXEAASA-N 1 3 303.450 2.110 20 0 DEADHO CC[N@H+](C)CCC(=O)NCCN(C)[C@@H]1CCc2c1cccc2F ZINC001390845529 1155890033 /nfs/dbraw/zinc/89/00/33/1155890033.db2.gz SAWJGTOQNRHROS-QGZVFWFLSA-N 1 3 321.440 2.203 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCCN(C)[C@@H]1CCc2c1cccc2F ZINC001390845529 1155890034 /nfs/dbraw/zinc/89/00/34/1155890034.db2.gz SAWJGTOQNRHROS-QGZVFWFLSA-N 1 3 321.440 2.203 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CC[N@H+](CCC2CC2)C1)N1CCCCC1 ZINC001391087414 1156095260 /nfs/dbraw/zinc/09/52/60/1156095260.db2.gz WBKJVHWDYNFWCR-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CC[N@@H+](CCC2CC2)C1)N1CCCCC1 ZINC001391087414 1156095270 /nfs/dbraw/zinc/09/52/70/1156095270.db2.gz WBKJVHWDYNFWCR-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@H+](CCC3CCCC3)C2)CCC1 ZINC001391098380 1156107039 /nfs/dbraw/zinc/10/70/39/1156107039.db2.gz OYFNVNVCJHJIJM-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@@H+](CCC3CCCC3)C2)CCC1 ZINC001391098380 1156107065 /nfs/dbraw/zinc/10/70/65/1156107065.db2.gz OYFNVNVCJHJIJM-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CN(CC(=O)NC[C@H]1CC[N@H+](CCC2CC2)C1)CC(C)(C)C ZINC001391103383 1156116928 /nfs/dbraw/zinc/11/69/28/1156116928.db2.gz SCSQPNTXOINKST-MRXNPFEDSA-N 1 3 309.498 2.203 20 0 DEADHO CN(CC(=O)NC[C@H]1CC[N@@H+](CCC2CC2)C1)CC(C)(C)C ZINC001391103383 1156116931 /nfs/dbraw/zinc/11/69/31/1156116931.db2.gz SCSQPNTXOINKST-MRXNPFEDSA-N 1 3 309.498 2.203 20 0 DEADHO Cc1cccc(C[N@H+]2CC[C@@H](CNC(=O)CN(C)C(C)C)C2)c1 ZINC001391121137 1156141826 /nfs/dbraw/zinc/14/18/26/1156141826.db2.gz XPRPAXCRFOHFQY-SFHVURJKSA-N 1 3 317.477 2.273 20 0 DEADHO Cc1cccc(C[N@@H+]2CC[C@@H](CNC(=O)CN(C)C(C)C)C2)c1 ZINC001391121137 1156141843 /nfs/dbraw/zinc/14/18/43/1156141843.db2.gz XPRPAXCRFOHFQY-SFHVURJKSA-N 1 3 317.477 2.273 20 0 DEADHO CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001391580575 1156559757 /nfs/dbraw/zinc/55/97/57/1156559757.db2.gz SXESYCJZNGJLAP-ZACQAIPSSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)C[C@@H](C)C[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001391580575 1156559760 /nfs/dbraw/zinc/55/97/60/1156559760.db2.gz SXESYCJZNGJLAP-ZACQAIPSSA-N 1 3 311.514 2.445 20 0 DEADHO CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]CC1CC(C)(C)C1 ZINC001391739960 1156763368 /nfs/dbraw/zinc/76/33/68/1156763368.db2.gz LPLZECKDHGTKNK-HZPDHXFCSA-N 1 3 311.514 2.493 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CCc1ccccc1)N(C)C ZINC001403178200 1162809025 /nfs/dbraw/zinc/80/90/25/1162809025.db2.gz BWJARJPLFOBIIL-WBVHZDCISA-N 1 3 305.466 2.006 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CCc1ccccc1)N(C)C ZINC001403178200 1162809026 /nfs/dbraw/zinc/80/90/26/1162809026.db2.gz BWJARJPLFOBIIL-WBVHZDCISA-N 1 3 305.466 2.006 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncs2)CC1)N(C)C ZINC001391817755 1156809002 /nfs/dbraw/zinc/80/90/02/1156809002.db2.gz BVRZZMXXMVEZDU-UMVBOHGHSA-N 1 3 324.494 2.000 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001391826667 1156811138 /nfs/dbraw/zinc/81/11/38/1156811138.db2.gz NCNRLCFPROJUHF-FZKCQIBNSA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@H+](CC1CC2(CCC2)C1)C1CC1 ZINC001372902673 1156818906 /nfs/dbraw/zinc/81/89/06/1156818906.db2.gz PENJLUXGRBSTNR-UHFFFAOYSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@@H+](CC1CC2(CCC2)C1)C1CC1 ZINC001372902673 1156818908 /nfs/dbraw/zinc/81/89/08/1156818908.db2.gz PENJLUXGRBSTNR-UHFFFAOYSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001373193516 1156882777 /nfs/dbraw/zinc/88/27/77/1156882777.db2.gz KGCFLMKALSMJRY-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C)C[N@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001373193516 1156882780 /nfs/dbraw/zinc/88/27/80/1156882780.db2.gz KGCFLMKALSMJRY-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001373193506 1156882876 /nfs/dbraw/zinc/88/28/76/1156882876.db2.gz KGCFLMKALSMJRY-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C)C[N@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001373193506 1156882878 /nfs/dbraw/zinc/88/28/78/1156882878.db2.gz KGCFLMKALSMJRY-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)NCC1C[NH+]([C@H]2CCc3ccccc32)C1 ZINC001373561545 1157096069 /nfs/dbraw/zinc/09/60/69/1157096069.db2.gz UDRPQGMHKYSDKD-SFHVURJKSA-N 1 3 315.461 2.062 20 0 DEADHO CC(C)N(C)CC(=O)NCC1C[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001373561541 1157096321 /nfs/dbraw/zinc/09/63/21/1157096321.db2.gz UDRPQGMHKYSDKD-GOSISDBHSA-N 1 3 315.461 2.062 20 0 DEADHO Cc1ccc(C)c(CN2CC[C@@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001373636791 1157193829 /nfs/dbraw/zinc/19/38/29/1157193829.db2.gz FURTXYXIGHPYDG-GOSISDBHSA-N 1 3 317.477 2.336 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001403311372 1162846570 /nfs/dbraw/zinc/84/65/70/1162846570.db2.gz LBAQQTDOLYMBSC-GOSISDBHSA-N 1 3 317.477 2.451 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001403311372 1162846573 /nfs/dbraw/zinc/84/65/73/1162846573.db2.gz LBAQQTDOLYMBSC-GOSISDBHSA-N 1 3 317.477 2.451 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CCN1CCC1CC1)[NH+]1CCCC1 ZINC001392880341 1157506497 /nfs/dbraw/zinc/50/64/97/1157506497.db2.gz SFMNHQBIBXEWAJ-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC001403389613 1162870756 /nfs/dbraw/zinc/87/07/56/1162870756.db2.gz QDUCTXGASYETOB-OSYLJGHBSA-N 1 3 321.509 2.201 20 0 DEADHO CC(C)CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC001403389613 1162870757 /nfs/dbraw/zinc/87/07/57/1162870757.db2.gz QDUCTXGASYETOB-OSYLJGHBSA-N 1 3 321.509 2.201 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CC1)N(C)C ZINC001392920830 1157540501 /nfs/dbraw/zinc/54/05/01/1157540501.db2.gz WAJASUQNVFGWNU-OAHLLOKOSA-N 1 3 307.482 2.145 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]CC2CC2)CCCC1 ZINC001374161183 1157678690 /nfs/dbraw/zinc/67/86/90/1157678690.db2.gz OKQIAUZUUDGQKC-INIZCTEOSA-N 1 3 307.482 2.289 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]CC1CC1)C1CCCCC1)N(C)C ZINC001374370303 1157830447 /nfs/dbraw/zinc/83/04/47/1157830447.db2.gz GBVXXCHAHCANEX-IRXDYDNUSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)CCN1Cc1cccc(F)c1 ZINC001393787787 1157980359 /nfs/dbraw/zinc/98/03/59/1157980359.db2.gz SBKUQGVPFOPUDT-WMLDXEAASA-N 1 3 321.440 2.247 20 0 DEADHO Cc1cc(C)cc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001374963009 1158133629 /nfs/dbraw/zinc/13/36/29/1158133629.db2.gz PQSKLVYEMFTEJB-FUHWJXTLSA-N 1 3 319.493 2.484 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)NC(=O)CN(C)C(C)C)cc1C ZINC001374982932 1158152055 /nfs/dbraw/zinc/15/20/55/1158152055.db2.gz XCEBOYKYQGUMEN-INIZCTEOSA-N 1 3 305.466 2.238 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)CC(C)(C)C[NH2+]CC1CC1 ZINC001394025752 1158171127 /nfs/dbraw/zinc/17/11/27/1158171127.db2.gz NMBCMTFMKDZFPL-HUUCEWRRSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001394532499 1158616235 /nfs/dbraw/zinc/61/62/35/1158616235.db2.gz ZNDKOTSIWMNBIW-PBHICJAKSA-N 1 3 323.456 2.411 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccccc2C)C[C@H]1C ZINC001394665177 1158660165 /nfs/dbraw/zinc/66/01/65/1158660165.db2.gz CDVIDUUBDCAMQI-AEFFLSMTSA-N 1 3 317.477 2.416 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccccc2C)C[C@@H]1C ZINC001394665178 1158661054 /nfs/dbraw/zinc/66/10/54/1158661054.db2.gz CDVIDUUBDCAMQI-FUHWJXTLSA-N 1 3 317.477 2.416 20 0 DEADHO CN(CC(=O)NC[C@H]1C[C@H]([NH2+]C/C=C\Cl)C1)CC(C)(C)C ZINC001375549836 1158809961 /nfs/dbraw/zinc/80/99/61/1158809961.db2.gz NLIJRMKFKBOEEJ-DZMCIORMSA-N 1 3 315.889 2.201 20 0 DEADHO CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2cccc(C)c2)C1)N(C)C ZINC001394852400 1158813710 /nfs/dbraw/zinc/81/37/10/1158813710.db2.gz BXQMGXZZXMDHFV-DAWZGUTISA-N 1 3 317.477 2.414 20 0 DEADHO CC[C@H](C(=O)NC1(C)CC[NH+](CC2CCCC2)CC1)N(C)C ZINC001375780255 1158870205 /nfs/dbraw/zinc/87/02/05/1158870205.db2.gz HUQVLDCUHKREPL-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CC[NH2+]C[C@]1(C)CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001375892763 1158934250 /nfs/dbraw/zinc/93/42/50/1158934250.db2.gz DPURWVFAZXRPKH-SFHVURJKSA-N 1 3 303.450 2.210 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@]1(C)CCC[N@H+](CCCF)C1)N(C)C ZINC001375945794 1159012743 /nfs/dbraw/zinc/01/27/43/1159012743.db2.gz JMRZJZXFJKEHLO-RDJZCZTQSA-N 1 3 315.477 2.151 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@]1(C)CCC[N@@H+](CCCF)C1)N(C)C ZINC001375945794 1159012752 /nfs/dbraw/zinc/01/27/52/1159012752.db2.gz JMRZJZXFJKEHLO-RDJZCZTQSA-N 1 3 315.477 2.151 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1)N(C)C ZINC001403556977 1162999049 /nfs/dbraw/zinc/99/90/49/1162999049.db2.gz LGZBVMBVCHQSRB-WBVHZDCISA-N 1 3 305.466 2.209 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001376364274 1159363727 /nfs/dbraw/zinc/36/37/27/1159363727.db2.gz FGUAADBVACQYBG-QAQDUYKDSA-N 1 3 315.461 2.216 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C)C1)N(C)C ZINC001376411458 1159395149 /nfs/dbraw/zinc/39/51/49/1159395149.db2.gz SXBITYZCQYRTIT-ULQDDVLXSA-N 1 3 303.450 2.072 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001376492140 1159476412 /nfs/dbraw/zinc/47/64/12/1159476412.db2.gz CEGIQZBHJOUEFP-HDICACEKSA-N 1 3 317.477 2.382 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001376808619 1159808126 /nfs/dbraw/zinc/80/81/26/1159808126.db2.gz HFZQRVGDWZPQQC-WFASDCNBSA-N 1 3 311.857 2.275 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]C/C(Cl)=C\Cl)C1)N(C)C ZINC001376955089 1159855637 /nfs/dbraw/zinc/85/56/37/1159855637.db2.gz VFXDAERMPYNQJD-ZGPXNKBISA-N 1 3 322.280 2.084 20 0 DEADHO C[C@H](F)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001397266003 1160094434 /nfs/dbraw/zinc/09/44/34/1160094434.db2.gz WIPWOWIYKOPWKC-ZFWWWQNUSA-N 1 3 310.417 2.013 20 0 DEADHO C[C@H](F)CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001397266003 1160094444 /nfs/dbraw/zinc/09/44/44/1160094444.db2.gz WIPWOWIYKOPWKC-ZFWWWQNUSA-N 1 3 310.417 2.013 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2csc(C)c2)[C@H]1C ZINC001403761162 1163146525 /nfs/dbraw/zinc/14/65/25/1163146525.db2.gz FIJUCTBSOVNHRF-GDBMZVCRSA-N 1 3 323.506 2.477 20 0 DEADHO C[C@H](F)CC[NH+]1CCC(N(C)C(=O)CN(C)C2CCC2)CC1 ZINC001398191600 1160812567 /nfs/dbraw/zinc/81/25/67/1160812567.db2.gz XNCKEICTEQCJQW-AWEZNQCLSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@@H](NCc1ccns1)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001377918752 1160871180 /nfs/dbraw/zinc/87/11/80/1160871180.db2.gz VLOVFIJVWWHCTA-ZIAGYGMSSA-N 1 3 324.494 2.002 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001398463061 1160898584 /nfs/dbraw/zinc/89/85/84/1160898584.db2.gz KQBBLXCBIGNZAR-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001398463061 1160898586 /nfs/dbraw/zinc/89/85/86/1160898586.db2.gz KQBBLXCBIGNZAR-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001398471017 1160904366 /nfs/dbraw/zinc/90/43/66/1160904366.db2.gz JEDFKMOWEQKALJ-IRXDYDNUSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)[N@H+](C)[C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001378146965 1161056211 /nfs/dbraw/zinc/05/62/11/1161056211.db2.gz SFOCITAFMUOBJN-CZUORRHYSA-N 1 3 301.450 2.044 20 0 DEADHO CC(C)[N@@H+](C)[C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001378146965 1161056215 /nfs/dbraw/zinc/05/62/15/1161056215.db2.gz SFOCITAFMUOBJN-CZUORRHYSA-N 1 3 301.450 2.044 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001398794714 1161105361 /nfs/dbraw/zinc/10/53/61/1161105361.db2.gz PVJRFEXURWBAKK-UKRRQHHQSA-N 1 3 306.454 2.133 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001398794714 1161105368 /nfs/dbraw/zinc/10/53/68/1161105368.db2.gz PVJRFEXURWBAKK-UKRRQHHQSA-N 1 3 306.454 2.133 20 0 DEADHO C[C@@H](F)CC[N@H+](C)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001399277813 1161316401 /nfs/dbraw/zinc/31/64/01/1161316401.db2.gz BBPJGTJDFYGWFA-CABCVRRESA-N 1 3 313.461 2.142 20 0 DEADHO C[C@@H](F)CC[N@@H+](C)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001399277813 1161316406 /nfs/dbraw/zinc/31/64/06/1161316406.db2.gz BBPJGTJDFYGWFA-CABCVRRESA-N 1 3 313.461 2.142 20 0 DEADHO Cc1ccccc1CN(C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001399579853 1161464937 /nfs/dbraw/zinc/46/49/37/1161464937.db2.gz RGGHQKQEVOGGTC-UHFFFAOYSA-N 1 3 317.477 2.275 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](CC)CC[C@H](C)F ZINC001399823748 1161578898 /nfs/dbraw/zinc/57/88/98/1161578898.db2.gz NUJVMQLJWZPHGI-LSDHHAIUSA-N 1 3 301.450 2.047 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](CC)CC[C@H](C)F ZINC001399823748 1161578902 /nfs/dbraw/zinc/57/89/02/1161578902.db2.gz NUJVMQLJWZPHGI-LSDHHAIUSA-N 1 3 301.450 2.047 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001400184047 1161680534 /nfs/dbraw/zinc/68/05/34/1161680534.db2.gz LYEJVXWSFGBSTD-FUHWJXTLSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001400184047 1161680538 /nfs/dbraw/zinc/68/05/38/1161680538.db2.gz LYEJVXWSFGBSTD-FUHWJXTLSA-N 1 3 321.509 2.347 20 0 DEADHO CCCN(C)CC(=O)NCC1C[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC001400546210 1161767887 /nfs/dbraw/zinc/76/78/87/1161767887.db2.gz PHAKXGXOBQSKBB-INIZCTEOSA-N 1 3 317.477 2.446 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCC(C)C)CC[N@@H+]1C ZINC001400563844 1161772284 /nfs/dbraw/zinc/77/22/84/1161772284.db2.gz ARPZWJBHOYDAAQ-XLAORIBOSA-N 1 3 321.509 2.438 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCC(C)C)CC[N@H+]1C ZINC001400563844 1161772286 /nfs/dbraw/zinc/77/22/86/1161772286.db2.gz ARPZWJBHOYDAAQ-XLAORIBOSA-N 1 3 321.509 2.438 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC1)[NH+](CC)CC ZINC001400599504 1161780709 /nfs/dbraw/zinc/78/07/09/1161780709.db2.gz UMMJRAXPZVOJBN-ULQDDVLXSA-N 1 3 307.482 2.192 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CCC(F)(F)F ZINC001400807593 1161825597 /nfs/dbraw/zinc/82/55/97/1161825597.db2.gz VCCRPTLNTAJZMW-STQMWFEESA-N 1 3 323.403 2.298 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCCN1C(C)C ZINC001401085792 1161869371 /nfs/dbraw/zinc/86/93/71/1161869371.db2.gz GWIJVMCQXDPMRD-IAGOWNOFSA-N 1 3 309.498 2.486 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCN2C)cc1C ZINC001401207882 1161894285 /nfs/dbraw/zinc/89/42/85/1161894285.db2.gz WTEUHXDZTMIFFW-WMZOPIPTSA-N 1 3 317.477 2.334 20 0 DEADHO Cc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)CN2CCCC2)c1 ZINC001401259678 1161907756 /nfs/dbraw/zinc/90/77/56/1161907756.db2.gz NFXVPUPNZKYPRE-INIZCTEOSA-N 1 3 303.450 2.027 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCC2CC2)C1 ZINC001401292088 1161917301 /nfs/dbraw/zinc/91/73/01/1161917301.db2.gz HTFCPTJNHOWLGN-WBVHZDCISA-N 1 3 309.498 2.345 20 0 DEADHO CCc1ccccc1C[NH2+]C[C@@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001401652705 1162060750 /nfs/dbraw/zinc/06/07/50/1162060750.db2.gz OKFFHVMNQNOIEU-RHSMWYFYSA-N 1 3 305.466 2.184 20 0 DEADHO CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](F)CN(CC)CC)C1 ZINC001402083386 1162240241 /nfs/dbraw/zinc/24/02/41/1162240241.db2.gz SOEJIPHCYTYAPO-LSDHHAIUSA-N 1 3 301.450 2.047 20 0 DEADHO CCCC[N@H+]1CCC[C@H](NC(=O)[C@H](F)CN(CC)CC)C1 ZINC001402083386 1162240242 /nfs/dbraw/zinc/24/02/42/1162240242.db2.gz SOEJIPHCYTYAPO-LSDHHAIUSA-N 1 3 301.450 2.047 20 0 DEADHO CC(C)N(CC[N@@H+](C)CC1CCC1)C(=O)CN1CC[C@H](C)C1 ZINC001403933527 1163305963 /nfs/dbraw/zinc/30/59/63/1163305963.db2.gz KYCYTMQKHNQUTH-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)N(CC[N@H+](C)CC1CCC1)C(=O)CN1CC[C@H](C)C1 ZINC001403933527 1163305959 /nfs/dbraw/zinc/30/59/59/1163305959.db2.gz KYCYTMQKHNQUTH-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](Cc1cccc(C)c1)C1CC1)N(C)C ZINC001404236802 1163526504 /nfs/dbraw/zinc/52/65/04/1163526504.db2.gz WPWCURQAAKZRDB-GOSISDBHSA-N 1 3 317.477 2.416 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](Cc1cccc(C)c1)C1CC1)N(C)C ZINC001404236802 1163526510 /nfs/dbraw/zinc/52/65/10/1163526510.db2.gz WPWCURQAAKZRDB-GOSISDBHSA-N 1 3 317.477 2.416 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001404512785 1163691212 /nfs/dbraw/zinc/69/12/12/1163691212.db2.gz SNYZTUILYQVBDC-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001404512785 1163691215 /nfs/dbraw/zinc/69/12/15/1163691215.db2.gz SNYZTUILYQVBDC-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC1CCCCC1 ZINC001405314357 1164048488 /nfs/dbraw/zinc/04/84/88/1164048488.db2.gz YECFPRQCYALJKE-DOTOQJQBSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC1CC[NH+](CC2CC2)CC1)N(C)C ZINC001405558715 1164149275 /nfs/dbraw/zinc/14/92/75/1164149275.db2.gz KMUHPUXTRWJGMC-KRWDZBQOSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1csc(C)c1)N(C)C ZINC001405886518 1164312663 /nfs/dbraw/zinc/31/26/63/1164312663.db2.gz GYQQRGHHECZJFV-SWLSCSKDSA-N 1 3 311.495 2.333 20 0 DEADHO CC(C)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001405986257 1164371837 /nfs/dbraw/zinc/37/18/37/1164371837.db2.gz HNPRKLSYSOCCJU-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccsc1 ZINC001406045517 1164406377 /nfs/dbraw/zinc/40/63/77/1164406377.db2.gz MZBITQLVNPXZJU-ZBFHGGJFSA-N 1 3 323.506 2.320 20 0 DEADHO C[C@@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)C(C)(C)N1CCCC1 ZINC001406520868 1164654464 /nfs/dbraw/zinc/65/44/64/1164654464.db2.gz SZQXVGCWFFHPLB-LBPRGKRZSA-N 1 3 317.424 2.000 20 0 DEADHO Cc1cccc(CN(C)C[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001406594996 1164715476 /nfs/dbraw/zinc/71/54/76/1164715476.db2.gz CDBDBPJZPKRECH-LZLYRXPVSA-N 1 3 317.477 2.272 20 0 DEADHO Cc1cccc(CN(C)C[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001406594996 1164715498 /nfs/dbraw/zinc/71/54/98/1164715498.db2.gz CDBDBPJZPKRECH-LZLYRXPVSA-N 1 3 317.477 2.272 20 0 DEADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC1(NCCF)CCC1 ZINC001407779914 1165304802 /nfs/dbraw/zinc/30/48/02/1165304802.db2.gz BALCMWVKGJLILX-UHFFFAOYSA-N 1 3 313.461 2.237 20 0 DEADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCC1(NCCF)CCC1 ZINC001407779914 1165304811 /nfs/dbraw/zinc/30/48/11/1165304811.db2.gz BALCMWVKGJLILX-UHFFFAOYSA-N 1 3 313.461 2.237 20 0 DEADHO CC[C@H](F)CNC1(CNC(=O)CC2CC[NH+](C)CC2)CCC1 ZINC001407805556 1165320658 /nfs/dbraw/zinc/32/06/58/1165320658.db2.gz WERBTPYESOMNKQ-HNNXBMFYSA-N 1 3 313.461 2.095 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001417776942 1167206877 /nfs/dbraw/zinc/20/68/77/1167206877.db2.gz JHQXHQSRGBFXJX-UAGQMJEPSA-N 1 3 321.509 2.391 20 0 DEADHO CC(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001417859301 1167264600 /nfs/dbraw/zinc/26/46/00/1167264600.db2.gz WQXAXEFLGMIXPF-INIZCTEOSA-N 1 3 306.454 2.311 20 0 DEADHO CC(C)CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001417859301 1167264609 /nfs/dbraw/zinc/26/46/09/1167264609.db2.gz WQXAXEFLGMIXPF-INIZCTEOSA-N 1 3 306.454 2.311 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(CF)cc2)C1)N(C)C ZINC001418065927 1167391598 /nfs/dbraw/zinc/39/15/98/1167391598.db2.gz RGISXRWXDJFKRW-BRWVUGGUSA-N 1 3 321.440 2.233 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC001418078310 1167398550 /nfs/dbraw/zinc/39/85/50/1167398550.db2.gz TUFQACCSTJOUHX-JFIYKMOQSA-N 1 3 315.461 2.251 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C\c2ccccc2)C1)N(C)C ZINC001418099701 1167408950 /nfs/dbraw/zinc/40/89/50/1167408950.db2.gz ZIXRPWMSLMWRRH-TVCKADSCSA-N 1 3 315.461 2.277 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1)N(C)C ZINC001418667467 1167873501 /nfs/dbraw/zinc/87/35/01/1167873501.db2.gz AGLHHMRGPSJFJH-DOTOQJQBSA-N 1 3 323.525 2.447 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1)N(C)C ZINC001418667467 1167873508 /nfs/dbraw/zinc/87/35/08/1167873508.db2.gz AGLHHMRGPSJFJH-DOTOQJQBSA-N 1 3 323.525 2.447 20 0 DEADHO CC[C@H](C(=O)N1CCC([C@@H](C)[NH2+]C/C=C/Cl)CC1)N(C)C ZINC001418843542 1168004396 /nfs/dbraw/zinc/00/43/96/1168004396.db2.gz JAYPWDSFGFPKSK-LBMWNBJUSA-N 1 3 315.889 2.296 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@@H]1CC[N@H+](CCC2CC2)C1)N(C)C ZINC001418890330 1168044263 /nfs/dbraw/zinc/04/42/63/1168044263.db2.gz LQZCLNWZDNQKCV-SJORKVTESA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](CCC2CC2)C1)N(C)C ZINC001418890330 1168044265 /nfs/dbraw/zinc/04/42/65/1168044265.db2.gz LQZCLNWZDNQKCV-SJORKVTESA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1ccc(F)cc1 ZINC001419254408 1168349931 /nfs/dbraw/zinc/34/99/31/1168349931.db2.gz FBAIGQFVWXGDPH-HOTGVXAUSA-N 1 3 309.429 2.150 20 0 DEADHO CC(C)N(C)CC(=O)NC1CCC([NH2+]C/C=C/Cl)CC1 ZINC001419672283 1168788103 /nfs/dbraw/zinc/78/81/03/1168788103.db2.gz KNIRMJXPHFPDPP-RUDMXATFSA-N 1 3 301.862 2.096 20 0 DEADHO CC[C@H](F)C[NH2+][C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001419744830 1168829831 /nfs/dbraw/zinc/82/98/31/1168829831.db2.gz JJLKIKUSZHJFFL-KGLIPLIRSA-N 1 3 301.450 2.093 20 0 DEADHO Cc1ccc(C)c(C[N@@H+](C)CCNC(=O)C2(N(C)C)CCC2)c1 ZINC001420245471 1169275345 /nfs/dbraw/zinc/27/53/45/1169275345.db2.gz UYSNMWLUWAVMCQ-UHFFFAOYSA-N 1 3 317.477 2.336 20 0 DEADHO Cc1ccc(C)c(C[N@H+](C)CCNC(=O)C2(N(C)C)CCC2)c1 ZINC001420245471 1169275357 /nfs/dbraw/zinc/27/53/57/1169275357.db2.gz UYSNMWLUWAVMCQ-UHFFFAOYSA-N 1 3 317.477 2.336 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001420368267 1169414709 /nfs/dbraw/zinc/41/47/09/1169414709.db2.gz XCESCONZKISXMF-CQSZACIVSA-N 1 3 316.449 2.104 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@]2(C1)CCC[N@H+](CCC1CC1)C2 ZINC001421031311 1171441386 /nfs/dbraw/zinc/44/13/86/1171441386.db2.gz NOLXHLYXZHHYJH-LJQANCHMSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC1CC1)C2 ZINC001421031311 1171441388 /nfs/dbraw/zinc/44/13/88/1171441388.db2.gz NOLXHLYXZHHYJH-LJQANCHMSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001421179234 1171555374 /nfs/dbraw/zinc/55/53/74/1171555374.db2.gz OYYLDVVFSUFPNU-GOSISDBHSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@]2(CC[N@H+](C(C)C)C2)C1 ZINC001421179234 1171555381 /nfs/dbraw/zinc/55/53/81/1171555381.db2.gz OYYLDVVFSUFPNU-GOSISDBHSA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1cccc(C)c1 ZINC001421468808 1171811657 /nfs/dbraw/zinc/81/16/57/1171811657.db2.gz CPXVIGXVGSGKFU-SJORKVTESA-N 1 3 305.466 2.320 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001421705002 1171915608 /nfs/dbraw/zinc/91/56/08/1171915608.db2.gz VDVYNQRJYOJPEV-OAHLLOKOSA-N 1 3 317.477 2.321 20 0 DEADHO C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)C[NH2+]CC1CCC1 ZINC001421734470 1171944455 /nfs/dbraw/zinc/94/44/55/1171944455.db2.gz CWRBFUZJGQKNCH-CVEARBPZSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@H](C[NH2+]Cc1ccsc1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001421938327 1172156137 /nfs/dbraw/zinc/15/61/37/1172156137.db2.gz FXTRGOOJKJNLFF-UONOGXRCSA-N 1 3 309.479 2.026 20 0 DEADHO Cc1cc(CN2CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]2C)cs1 ZINC001422125696 1172324125 /nfs/dbraw/zinc/32/41/25/1172324125.db2.gz LBMDKBGCWOBJEA-BBRMVZONSA-N 1 3 323.506 2.477 20 0 DEADHO CCC(CC)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001422238207 1172424793 /nfs/dbraw/zinc/42/47/93/1172424793.db2.gz MQJZDSVKXOXSGI-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CCC(CC)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001422238207 1172424797 /nfs/dbraw/zinc/42/47/97/1172424797.db2.gz MQJZDSVKXOXSGI-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC2CCC2)C1 ZINC001422250339 1172437596 /nfs/dbraw/zinc/43/75/96/1172437596.db2.gz SKOCNXIZLPGTBK-DLBZAZTESA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC2CCC2)C1 ZINC001422250339 1172437607 /nfs/dbraw/zinc/43/76/07/1172437607.db2.gz SKOCNXIZLPGTBK-DLBZAZTESA-N 1 3 307.482 2.050 20 0 DEADHO C[C@H](C[NH2+]Cc1ccc(Cl)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001422514899 1172667108 /nfs/dbraw/zinc/66/71/08/1172667108.db2.gz ZUSDSDWXFRGLKM-CYBMUJFWSA-N 1 3 323.868 2.419 20 0 DEADHO C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1C[NH+](CCC2CC2)C1 ZINC001422734395 1172835129 /nfs/dbraw/zinc/83/51/29/1172835129.db2.gz FJQPVEMSSGEYSX-CQSZACIVSA-N 1 3 307.482 2.097 20 0 DEADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3cc(-n4ccnc4)cs3)[C@@H]2C1 ZINC001422970673 1172985262 /nfs/dbraw/zinc/98/52/62/1172985262.db2.gz KIWTYQKHTGSETN-APHBMKBZSA-N 1 3 302.447 2.364 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN1CCCC(C)C ZINC001423095195 1173072457 /nfs/dbraw/zinc/07/24/57/1173072457.db2.gz UCCGLHHDVZRUDE-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]CC2CCC(C)CC2)CC1 ZINC001423295638 1173214225 /nfs/dbraw/zinc/21/42/25/1173214225.db2.gz XYGQHYOTXUAENN-UHFFFAOYSA-N 1 3 309.498 2.393 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCc2cccs2)[C@H]1C ZINC001423327248 1173244587 /nfs/dbraw/zinc/24/45/87/1173244587.db2.gz LWXNSWQBHNIPGQ-GDBMZVCRSA-N 1 3 323.506 2.211 20 0 DEADHO CCC[N@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001423340705 1173263957 /nfs/dbraw/zinc/26/39/57/1173263957.db2.gz YETQMUTUWSJJFH-INIZCTEOSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001423340705 1173263964 /nfs/dbraw/zinc/26/39/64/1173263964.db2.gz YETQMUTUWSJJFH-INIZCTEOSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CCC(F)(F)F)CN1C(=O)CN(C)C1CCC1 ZINC001423340767 1173265630 /nfs/dbraw/zinc/26/56/30/1173265630.db2.gz XCJHUOCFPCSMFA-VXGBXAGGSA-N 1 3 321.387 2.002 20 0 DEADHO C[C@H](F)CC[NH+]1CCC(C)(NC(=O)CN(C)C2CCC2)CC1 ZINC001423499950 1173375952 /nfs/dbraw/zinc/37/59/52/1173375952.db2.gz QJBRCMCBZYVFPC-AWEZNQCLSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1(C)CC[NH+](CCCF)CC1)N(C)C ZINC001423667848 1173477932 /nfs/dbraw/zinc/47/79/32/1173477932.db2.gz CAKGYHBTUCBUNW-HNNXBMFYSA-N 1 3 315.477 2.151 20 0 DEADHO CN(CCC[N@H+](C)Cc1ccsc1)C(=O)CN1CCCC1 ZINC001424331276 1173763600 /nfs/dbraw/zinc/76/36/00/1173763600.db2.gz KQQYOUYRKSSDHY-UHFFFAOYSA-N 1 3 309.479 2.124 20 0 DEADHO CN(CCC[N@@H+](C)Cc1ccsc1)C(=O)CN1CCCC1 ZINC001424331276 1173763606 /nfs/dbraw/zinc/76/36/06/1173763606.db2.gz KQQYOUYRKSSDHY-UHFFFAOYSA-N 1 3 309.479 2.124 20 0 DEADHO CC[C@@H](C(=O)N(C)C1CCC([NH2+]C/C=C\Cl)CC1)N(C)C ZINC001424856269 1173993049 /nfs/dbraw/zinc/99/30/49/1173993049.db2.gz VXPZMCXBNHLYPV-JKEXBKCWSA-N 1 3 315.889 2.438 20 0 DEADHO CC[C@@H](C(=O)N(C)C1CCC([NH2+]C/C=C/Cl)CC1)N(C)C ZINC001424856270 1173993099 /nfs/dbraw/zinc/99/30/99/1173993099.db2.gz VXPZMCXBNHLYPV-WDNLSVCNSA-N 1 3 315.889 2.438 20 0 DEADHO Cc1cccc(CN(C)[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001424937488 1174044038 /nfs/dbraw/zinc/04/40/38/1174044038.db2.gz JTFIZOUWCWPWNK-LZLYRXPVSA-N 1 3 317.477 2.272 20 0 DEADHO Cc1cccc(CN(C)[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001424937488 1174044047 /nfs/dbraw/zinc/04/40/47/1174044047.db2.gz JTFIZOUWCWPWNK-LZLYRXPVSA-N 1 3 317.477 2.272 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCc2ccccc2)C[C@H]1C ZINC001425911447 1174509298 /nfs/dbraw/zinc/50/92/98/1174509298.db2.gz KFDZFYPSIDKIAA-SJLPKXTDSA-N 1 3 317.477 2.150 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CCCCN1C ZINC001426954508 1174895652 /nfs/dbraw/zinc/89/56/52/1174895652.db2.gz MJXFOPYNOFYZBY-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1CCCCN1C ZINC001426954508 1174895653 /nfs/dbraw/zinc/89/56/53/1174895653.db2.gz MJXFOPYNOFYZBY-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H]3CCC[C@@]4(CCOC4)O3)CC[C@@H]21 ZINC001434460967 1178597068 /nfs/dbraw/zinc/59/70/68/1178597068.db2.gz WLOWCJUSMHBVOF-OWSLCNJRSA-N 1 3 308.466 2.131 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C[C@@H]3CCC[C@@]4(CCOC4)O3)CC[C@@H]21 ZINC001434460967 1178597083 /nfs/dbraw/zinc/59/70/83/1178597083.db2.gz WLOWCJUSMHBVOF-OWSLCNJRSA-N 1 3 308.466 2.131 20 0 DEADHO CCN1CCC(C[N@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)CC1 ZINC001434519608 1178743649 /nfs/dbraw/zinc/74/36/49/1178743649.db2.gz GTPHFNFNBYCXDU-JKSUJKDBSA-N 1 3 316.511 2.006 20 0 DEADHO CCN1CCC(C[N@@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)CC1 ZINC001434519608 1178743671 /nfs/dbraw/zinc/74/36/71/1178743671.db2.gz GTPHFNFNBYCXDU-JKSUJKDBSA-N 1 3 316.511 2.006 20 0 DEADHO CCN1CCN(c2cccc(N[C@@H]3CCC[N@H+](C)C3)c2)CC1 ZINC001434527808 1178776353 /nfs/dbraw/zinc/77/63/53/1178776353.db2.gz SBQRVHCCMWNSOR-QGZVFWFLSA-N 1 3 302.466 2.335 20 0 DEADHO CCN1CCN(c2cccc(N[C@@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC001434527808 1178776377 /nfs/dbraw/zinc/77/63/77/1178776377.db2.gz SBQRVHCCMWNSOR-QGZVFWFLSA-N 1 3 302.466 2.335 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H](NC/C=C\Cl)C1)[NH+](CC)CC ZINC001436875704 1179286564 /nfs/dbraw/zinc/28/65/64/1179286564.db2.gz LBKXPBJNWYZZNM-MHVKHXTKSA-N 1 3 301.862 2.050 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001436974772 1179324700 /nfs/dbraw/zinc/32/47/00/1179324700.db2.gz GODQEBFBHFFTKM-OWCLPIDISA-N 1 3 307.482 2.144 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)NCc1cncs1 ZINC001437137610 1179472921 /nfs/dbraw/zinc/47/29/21/1179472921.db2.gz QMGCXTUCUADISU-ZDUSSCGKSA-N 1 3 324.494 2.002 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CNC(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001437142142 1179478291 /nfs/dbraw/zinc/47/82/91/1179478291.db2.gz CRQOQKAGXGMTQC-MRXNPFEDSA-N 1 3 317.477 2.382 20 0 DEADHO Cc1cc(F)ccc1C[NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001437151965 1179490383 /nfs/dbraw/zinc/49/03/83/1179490383.db2.gz WVFNLRAWUKICSS-AWEZNQCLSA-N 1 3 321.440 2.213 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](C)[C@@H](C)c1cccc(OC)c1)N(C)C ZINC001437516978 1179833139 /nfs/dbraw/zinc/83/31/39/1179833139.db2.gz LAKFTMBMDGJXQL-YOEHRIQHSA-N 1 3 321.465 2.144 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](C)[C@@H](C)c1cccc(OC)c1)N(C)C ZINC001437516978 1179833142 /nfs/dbraw/zinc/83/31/42/1179833142.db2.gz LAKFTMBMDGJXQL-YOEHRIQHSA-N 1 3 321.465 2.144 20 0 DEADHO CCN(CCNC(=O)CC[NH+](C)C)Cc1ccc(Cl)cc1 ZINC001437622176 1179866902 /nfs/dbraw/zinc/86/69/02/1179866902.db2.gz QXWLMVOHPSJPRA-UHFFFAOYSA-N 1 3 311.857 2.230 20 0 DEADHO CCCC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001437708086 1179895615 /nfs/dbraw/zinc/89/56/15/1179895615.db2.gz PWRUMJDRGQEHON-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CCCC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001437708086 1179895616 /nfs/dbraw/zinc/89/56/16/1179895616.db2.gz PWRUMJDRGQEHON-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CN(C(=O)CCC[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001438247513 1180279792 /nfs/dbraw/zinc/27/97/92/1180279792.db2.gz YNHRRPFZCSUSJA-QGZVFWFLSA-N 1 3 303.450 2.061 20 0 DEADHO C[NH+](C)CCC(=O)N[C@](C)(CNCc1ccccc1F)C1CC1 ZINC001438422406 1180409747 /nfs/dbraw/zinc/40/97/47/1180409747.db2.gz RPCZDFANZIZIIG-GOSISDBHSA-N 1 3 321.440 2.152 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN1[C@H]1CCc2ccccc21 ZINC001439558058 1181142731 /nfs/dbraw/zinc/14/27/31/1181142731.db2.gz DJEZXFOKWUAYCT-WMZOPIPTSA-N 1 3 315.461 2.206 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1[C@H]1CCc2ccccc21 ZINC001439558058 1181142735 /nfs/dbraw/zinc/14/27/35/1181142735.db2.gz DJEZXFOKWUAYCT-WMZOPIPTSA-N 1 3 315.461 2.206 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](C(C)C)CCC1(F)F)N(C)C ZINC001439964536 1181329383 /nfs/dbraw/zinc/32/93/83/1181329383.db2.gz AAGMGBLUIGBVHV-ZIAGYGMSSA-N 1 3 319.440 2.054 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](C(C)C)CCC1(F)F)N(C)C ZINC001439964536 1181329393 /nfs/dbraw/zinc/32/93/93/1181329393.db2.gz AAGMGBLUIGBVHV-ZIAGYGMSSA-N 1 3 319.440 2.054 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C/C=C\Cl)C2 ZINC001440112859 1181354111 /nfs/dbraw/zinc/35/41/11/1181354111.db2.gz QWMPROQFSONPDF-AGWXYYIZSA-N 1 3 313.873 2.050 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C/C=C\Cl)C2 ZINC001440112859 1181354121 /nfs/dbraw/zinc/35/41/21/1181354121.db2.gz QWMPROQFSONPDF-AGWXYYIZSA-N 1 3 313.873 2.050 20 0 DEADHO CC(C)C[NH2+][C@@H](C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001440669620 1181635358 /nfs/dbraw/zinc/63/53/58/1181635358.db2.gz CMCNRHFRFTXQJJ-WMLDXEAASA-N 1 3 315.477 2.339 20 0 DEADHO Cc1ccc(F)cc1C[NH2+][C@@H](C)CCNC(=O)CN(C)C(C)C ZINC001440692892 1181642341 /nfs/dbraw/zinc/64/23/41/1181642341.db2.gz UKEIATZEPOWFPC-HNNXBMFYSA-N 1 3 323.456 2.459 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C1CCC([NH2+]CC2CC2)CC1)N(C)C ZINC001440858183 1181733157 /nfs/dbraw/zinc/73/31/57/1181733157.db2.gz OKYRHAHVABYFKL-OFLPRAFFSA-N 1 3 309.498 2.342 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC12CC[NH+](CC[C@@H](C)F)CC2 ZINC001441162137 1181877705 /nfs/dbraw/zinc/87/77/05/1181877705.db2.gz SDIXZFBRRIUBEI-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CCC2)C1)N(C)C ZINC001441576177 1182068627 /nfs/dbraw/zinc/06/86/27/1182068627.db2.gz DIEDOZWCHCZRLK-DLBZAZTESA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CC2CCC2)C1)N(C)C ZINC001441576177 1182068636 /nfs/dbraw/zinc/06/86/36/1182068636.db2.gz DIEDOZWCHCZRLK-DLBZAZTESA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(C)cc1C)N(C)C ZINC001441855751 1182218218 /nfs/dbraw/zinc/21/82/18/1182218218.db2.gz PYWXHHFSURSCLF-DOTOQJQBSA-N 1 3 305.466 2.238 20 0 DEADHO C[C@@H](F)CC[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC001441913678 1182248377 /nfs/dbraw/zinc/24/83/77/1182248377.db2.gz DOGMMJBTJALMQZ-KGLIPLIRSA-N 1 3 313.461 2.045 20 0 DEADHO CN(CCCF)CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001442401213 1182455664 /nfs/dbraw/zinc/45/56/64/1182455664.db2.gz LBGGFMDDAQHWBR-OAHLLOKOSA-N 1 3 313.461 2.049 20 0 DEADHO CN(CCCF)CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001442401213 1182455668 /nfs/dbraw/zinc/45/56/68/1182455668.db2.gz LBGGFMDDAQHWBR-OAHLLOKOSA-N 1 3 313.461 2.049 20 0 DEADHO CN(CCF)CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001443368308 1182955894 /nfs/dbraw/zinc/95/58/94/1182955894.db2.gz HLLVKVNEACCXNM-UHFFFAOYSA-N 1 3 313.461 2.002 20 0 DEADHO CCC(CC)C[NH+]1CC(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001443601266 1183047851 /nfs/dbraw/zinc/04/78/51/1183047851.db2.gz OIRIQUPGBSGBOC-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)NCCC1CC[NH+](CC2CCC2)CC1 ZINC001444228359 1183320531 /nfs/dbraw/zinc/32/05/31/1183320531.db2.gz UIYPDQBISHXFFJ-UHFFFAOYSA-N 1 3 309.498 2.347 20 0 DEADHO Cc1cccc(C)c1C[NH2+]C[C@@H](C)N(C)C(=O)CN1CCCC1 ZINC001444734779 1183535887 /nfs/dbraw/zinc/53/58/87/1183535887.db2.gz UDJYFIMUJFWDAI-QGZVFWFLSA-N 1 3 317.477 2.336 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001444831493 1183581053 /nfs/dbraw/zinc/58/10/53/1183581053.db2.gz WMGJAABGQTUGOR-NVXWUHKLSA-N 1 3 309.498 2.343 20 0 DEADHO CCc1ccc(C[NH2+]C[C@@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001445387149 1183858102 /nfs/dbraw/zinc/85/81/02/1183858102.db2.gz DJFLPLJSRGGJKT-OAHLLOKOSA-N 1 3 317.477 2.328 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]Cc1cc2ccccc2o1 ZINC001445641099 1183947784 /nfs/dbraw/zinc/94/77/84/1183947784.db2.gz BQEWYKPANBYEFS-AWEZNQCLSA-N 1 3 317.433 2.369 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC1CC(F)(F)C1 ZINC001445655306 1183956667 /nfs/dbraw/zinc/95/66/67/1183956667.db2.gz JTHVDMFWGPGKQH-GXTWGEPZSA-N 1 3 317.424 2.000 20 0 DEADHO C[NH+](C)CCC(=O)N1CC[C@]2(CCN(Cc3ccsc3)C2)C1 ZINC001446364452 1184321042 /nfs/dbraw/zinc/32/10/42/1184321042.db2.gz VNZOLMKRZWWXOT-KRWDZBQOSA-N 1 3 321.490 2.124 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC001447307376 1184715138 /nfs/dbraw/zinc/71/51/38/1184715138.db2.gz VUQVFXUABVEJEL-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC001447307376 1184715145 /nfs/dbraw/zinc/71/51/45/1184715145.db2.gz VUQVFXUABVEJEL-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001448467597 1185242282 /nfs/dbraw/zinc/24/22/82/1185242282.db2.gz JWEAOSYCFPYQPT-PHZGNYQRSA-N 1 3 309.498 2.057 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC001448467597 1185242287 /nfs/dbraw/zinc/24/22/87/1185242287.db2.gz JWEAOSYCFPYQPT-PHZGNYQRSA-N 1 3 309.498 2.057 20 0 DEADHO CCC[NH+]1CCC(C2(NC(=O)Cc3nc[nH]c3C)CC2)CC1 ZINC001449413511 1185708061 /nfs/dbraw/zinc/70/80/61/1185708061.db2.gz TWSDWWZIGWLDST-UHFFFAOYSA-N 1 3 304.438 2.031 20 0 DEADHO CC(C)[C@H](C(=O)N1CC2(C1)CC[N@H+](CC1CCCC1)C2)N(C)C ZINC001072952841 790323201 /nfs/dbraw/zinc/32/32/01/790323201.db2.gz ACXUTEUTLQVHEU-QGZVFWFLSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[C@H](C(=O)N1CC2(C1)CC[N@@H+](CC1CCCC1)C2)N(C)C ZINC001072952841 790323216 /nfs/dbraw/zinc/32/32/16/790323216.db2.gz ACXUTEUTLQVHEU-QGZVFWFLSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@@H](F)CNCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127357480 782798822 /nfs/dbraw/zinc/79/88/22/782798822.db2.gz ZBVFEXSPUFZTBM-LSDHHAIUSA-N 1 3 313.461 2.095 20 0 DEADHO CC[C@@H](F)CNCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127357480 782798827 /nfs/dbraw/zinc/79/88/27/782798827.db2.gz ZBVFEXSPUFZTBM-LSDHHAIUSA-N 1 3 313.461 2.095 20 0 DEADHO CC(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001106634005 782820340 /nfs/dbraw/zinc/82/03/40/782820340.db2.gz ZRKQGUZFPNJJNV-BRWVUGGUSA-N 1 3 311.514 2.303 20 0 DEADHO CCCCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001106665023 782840317 /nfs/dbraw/zinc/84/03/17/782840317.db2.gz FRIUZVMQGKUTGX-IXDOHACOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106704991 782871103 /nfs/dbraw/zinc/87/11/03/782871103.db2.gz MDALBBYJLBETKI-HUUCEWRRSA-N 1 3 306.454 2.073 20 0 DEADHO CC(C)CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001106798695 782943795 /nfs/dbraw/zinc/94/37/95/782943795.db2.gz RCSYWNVYUQVZLZ-QZTJIDSGSA-N 1 3 323.525 2.449 20 0 DEADHO CCC(CC)C[N@@H+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001072979774 790353031 /nfs/dbraw/zinc/35/30/31/790353031.db2.gz LESAGHWFTPNVDJ-INIZCTEOSA-N 1 3 321.509 2.441 20 0 DEADHO CCC(CC)C[N@H+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001072979774 790353043 /nfs/dbraw/zinc/35/30/43/790353043.db2.gz LESAGHWFTPNVDJ-INIZCTEOSA-N 1 3 321.509 2.441 20 0 DEADHO Cc1ncc(CN2CCC(COCC[NH+]3CCCC3)CC2)n1C ZINC001206792043 776611473 /nfs/dbraw/zinc/61/14/73/776611473.db2.gz PHDMEAFBEXMVBN-UHFFFAOYSA-N 1 3 320.481 2.053 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CCc2cccs2)C1 ZINC001210811643 776956550 /nfs/dbraw/zinc/95/65/50/776956550.db2.gz PNGRVMBSPXVQMY-HNNXBMFYSA-N 1 3 323.506 2.213 20 0 DEADHO CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001104319525 777043126 /nfs/dbraw/zinc/04/31/26/777043126.db2.gz YNAXNFWBTNFEJG-ZACQAIPSSA-N 1 3 311.514 2.447 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CCC1 ZINC001087212811 777350345 /nfs/dbraw/zinc/35/03/45/777350345.db2.gz QZMZAUIXSUQPKZ-RYRKJORJSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)C[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001104682071 778020161 /nfs/dbraw/zinc/02/01/61/778020161.db2.gz ZIBIXVRAEKYZSZ-BRWVUGGUSA-N 1 3 309.498 2.058 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC[C@H](C)F)C1 ZINC001105067056 778322328 /nfs/dbraw/zinc/32/23/28/778322328.db2.gz LGMLGFIGUBFTHB-OWCLPIDISA-N 1 3 315.477 2.149 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCNc1ccc2c(n1)OCCNC2 ZINC001167750830 778414032 /nfs/dbraw/zinc/41/40/32/778414032.db2.gz DKRICHUNXQPGGZ-AWEZNQCLSA-N 1 3 304.438 2.240 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCNc1ccc2c(n1)OCCNC2 ZINC001167750830 778414038 /nfs/dbraw/zinc/41/40/38/778414038.db2.gz DKRICHUNXQPGGZ-AWEZNQCLSA-N 1 3 304.438 2.240 20 0 DEADHO CC[NH+](CC)CCC[C@@H](C)N1CCN(c2nccc(C)n2)CC1 ZINC001167834471 778684951 /nfs/dbraw/zinc/68/49/51/778684951.db2.gz KIUNIVKTPJFXKY-QGZVFWFLSA-N 1 3 319.497 2.418 20 0 DEADHO CCOC(=O)[C@H]1CN([C@@H](C)CCC[NH+](CC)CC)CCS1 ZINC001167840137 778699226 /nfs/dbraw/zinc/69/92/26/778699226.db2.gz DYRSVXOILNEMRR-LSDHHAIUSA-N 1 3 316.511 2.477 20 0 DEADHO N=C(NCCCC[NH3+])Nc1ccc(-c2nc3ccccc3[nH]2)cn1 ZINC001167880351 778743665 /nfs/dbraw/zinc/74/36/65/778743665.db2.gz IYBGDSYBWOYYBL-UHFFFAOYSA-N 1 3 323.404 2.300 20 0 DEADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1C ZINC001103663538 778933189 /nfs/dbraw/zinc/93/31/89/778933189.db2.gz GUYYAELRVGPJFO-IAGOWNOFSA-N 1 3 309.498 2.369 20 0 DEADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](CC=C(C)C)C[C@H]1C ZINC001103663538 778933193 /nfs/dbraw/zinc/93/31/93/778933193.db2.gz GUYYAELRVGPJFO-IAGOWNOFSA-N 1 3 309.498 2.369 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001075785240 779234325 /nfs/dbraw/zinc/23/43/25/779234325.db2.gz WIKHFEOVKSKMIK-GVDBMIGSSA-N 1 3 307.482 2.192 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001075785240 779234329 /nfs/dbraw/zinc/23/43/29/779234329.db2.gz WIKHFEOVKSKMIK-GVDBMIGSSA-N 1 3 307.482 2.192 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC[N@@H+]1CC ZINC001087723917 779423736 /nfs/dbraw/zinc/42/37/36/779423736.db2.gz MLDZRQOFFDQVGG-VBQJREDUSA-N 1 3 313.461 2.188 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC[N@H+]1CC ZINC001087723917 779423737 /nfs/dbraw/zinc/42/37/37/779423737.db2.gz MLDZRQOFFDQVGG-VBQJREDUSA-N 1 3 313.461 2.188 20 0 DEADHO CC(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001112536396 779685870 /nfs/dbraw/zinc/68/58/70/779685870.db2.gz GRHBKDCAIDXQGT-YJBOKZPZSA-N 1 3 318.465 2.217 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC([N@H+](C)CC2CCC2)CC1)N(C)C ZINC000985481793 779861162 /nfs/dbraw/zinc/86/11/62/779861162.db2.gz OBTOMGRRXFDTND-KRWDZBQOSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC([N@@H+](C)CC2CCC2)CC1)N(C)C ZINC000985481793 779861171 /nfs/dbraw/zinc/86/11/71/779861171.db2.gz OBTOMGRRXFDTND-KRWDZBQOSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)C[NH2+][C@H]1CCCCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001088325915 779956715 /nfs/dbraw/zinc/95/67/15/779956715.db2.gz BRWNUTHRWDUPRB-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001088326851 779959249 /nfs/dbraw/zinc/95/92/49/779959249.db2.gz ZDXSWPZBYFQSQU-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC([N@H+](C)CCC2CC2)CC1 ZINC000985645647 779982299 /nfs/dbraw/zinc/98/22/99/779982299.db2.gz ATTSIFUHPJNSQP-HNNXBMFYSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC([N@@H+](C)CCC2CC2)CC1 ZINC000985645647 779982311 /nfs/dbraw/zinc/98/23/11/779982311.db2.gz ATTSIFUHPJNSQP-HNNXBMFYSA-N 1 3 307.482 2.194 20 0 DEADHO O=C(CC[NH+]1CCCCC1)N1CCCCC[C@H](NCCF)C1 ZINC001088430289 780115108 /nfs/dbraw/zinc/11/51/08/780115108.db2.gz LRGNNXPTRWQNEJ-INIZCTEOSA-N 1 3 313.461 2.193 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CC2)[C@@H]1C ZINC001088692957 780827837 /nfs/dbraw/zinc/82/78/37/780827837.db2.gz GHQHTYUASCZDDP-NJAFHUGGSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CC2)[C@@H]1C ZINC001088692957 780827844 /nfs/dbraw/zinc/82/78/44/780827844.db2.gz GHQHTYUASCZDDP-NJAFHUGGSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]CC2CC(C)C2)CC1 ZINC001168345575 780862394 /nfs/dbraw/zinc/86/23/94/780862394.db2.gz QVISTDPAIIDXHY-UHFFFAOYSA-N 1 3 309.498 2.249 20 0 DEADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]CC2CCCC2)CC1 ZINC001168344981 780862451 /nfs/dbraw/zinc/86/24/51/780862451.db2.gz ITLQJKYGRFQYEE-UHFFFAOYSA-N 1 3 309.498 2.393 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC1CC([NH2+]C/C=C/Cl)C1 ZINC001101036580 780958042 /nfs/dbraw/zinc/95/80/42/780958042.db2.gz UGRWOVITTSQJIA-SOWXMWJSSA-N 1 3 313.873 2.098 20 0 DEADHO FC1(F)CCCN(CC[NH2+]C2CCN(CC3CC3)CC2)C1 ZINC001168366236 781074187 /nfs/dbraw/zinc/07/41/87/781074187.db2.gz LYPWKPMSSCAWRV-UHFFFAOYSA-N 1 3 301.425 2.182 20 0 DEADHO CC(C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001076323901 781216228 /nfs/dbraw/zinc/21/62/28/781216228.db2.gz JYYBGAMEGUTRGA-IXDOHACOSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001076323901 781216233 /nfs/dbraw/zinc/21/62/33/781216233.db2.gz JYYBGAMEGUTRGA-IXDOHACOSA-N 1 3 307.482 2.192 20 0 DEADHO OCc1ccc2c(c1)CC[N@H+](C1CCN(CC3CC3)CC1)C2 ZINC001168373720 781667930 /nfs/dbraw/zinc/66/79/30/781667930.db2.gz SYUCGFRUBIRLHV-UHFFFAOYSA-N 1 3 300.446 2.411 20 0 DEADHO OCc1ccc2c(c1)CC[N@@H+](C1CCN(CC3CC3)CC1)C2 ZINC001168373720 781667934 /nfs/dbraw/zinc/66/79/34/781667934.db2.gz SYUCGFRUBIRLHV-UHFFFAOYSA-N 1 3 300.446 2.411 20 0 DEADHO O=C(NC1CC[NH+](C2CCN(CC3CC3)CC2)CC1)C1CCC1 ZINC001168392629 781784799 /nfs/dbraw/zinc/78/47/99/781784799.db2.gz QVNRTIDQKUGZQP-UHFFFAOYSA-N 1 3 319.493 2.242 20 0 DEADHO CC(C)(C)C(=O)NC1CC[NH+](C2CCN(CC3CC3)CC2)CC1 ZINC001168395269 781788968 /nfs/dbraw/zinc/78/89/68/781788968.db2.gz STYAQHNDMSYUBV-UHFFFAOYSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCF)N1CCCCCC1 ZINC001085352702 783649130 /nfs/dbraw/zinc/64/91/30/783649130.db2.gz SRHOVGZVWDJIFF-ARFHVFGLSA-N 1 3 313.461 2.237 20 0 DEADHO CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1CN(C)C ZINC001085432366 783680309 /nfs/dbraw/zinc/68/03/09/783680309.db2.gz VFORKTQHHXLELN-IAGOWNOFSA-N 1 3 303.450 2.399 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCN1C(C)C ZINC001085589786 783867088 /nfs/dbraw/zinc/86/70/88/783867088.db2.gz VCFVJMPCBWWWBO-IRXDYDNUSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCN1C(C)C ZINC001085589786 783867096 /nfs/dbraw/zinc/86/70/96/783867096.db2.gz VCFVJMPCBWWWBO-IRXDYDNUSA-N 1 3 309.498 2.438 20 0 DEADHO CCCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC000967205559 783904778 /nfs/dbraw/zinc/90/47/78/783904778.db2.gz LKZNOEHMJUJBBJ-HZPDHXFCSA-N 1 3 307.482 2.242 20 0 DEADHO CCCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC000967205559 783904787 /nfs/dbraw/zinc/90/47/87/783904787.db2.gz LKZNOEHMJUJBBJ-HZPDHXFCSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@H](C)CN1CC[C@@H]1CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001085696012 783974689 /nfs/dbraw/zinc/97/46/89/783974689.db2.gz XOJWMUFZGKNBMP-JKSUJKDBSA-N 1 3 307.482 2.194 20 0 DEADHO CCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001085778794 784067727 /nfs/dbraw/zinc/06/77/27/784067727.db2.gz HRCGEVSGGTYOCV-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001085778794 784067732 /nfs/dbraw/zinc/06/77/32/784067732.db2.gz HRCGEVSGGTYOCV-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001086216859 784497159 /nfs/dbraw/zinc/49/71/59/784497159.db2.gz DGYNRIOTLRBBGY-BBWFWOEESA-N 1 3 309.498 2.390 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000968912452 784647482 /nfs/dbraw/zinc/64/74/82/784647482.db2.gz HLOUXSNFZSPJES-QZTJIDSGSA-N 1 3 315.461 2.026 20 0 DEADHO CN(CC(=O)N1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1)C1CCC1 ZINC000968922087 784652591 /nfs/dbraw/zinc/65/25/91/784652591.db2.gz PXJANWZKUVMNEW-MRXNPFEDSA-N 1 3 319.493 2.242 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H](CO)Cc1cccc(Cl)c1)C2 ZINC001169099562 785034408 /nfs/dbraw/zinc/03/44/08/785034408.db2.gz BPAYMFPAHSXWIA-LUKYLMHMSA-N 1 3 308.853 2.458 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H](CO)Cc1cccc(Cl)c1)C2 ZINC001169099562 785034417 /nfs/dbraw/zinc/03/44/17/785034417.db2.gz BPAYMFPAHSXWIA-LUKYLMHMSA-N 1 3 308.853 2.458 20 0 DEADHO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C)c1ccc(S(C)(=O)=O)cc1 ZINC001169078413 785035648 /nfs/dbraw/zinc/03/56/48/785035648.db2.gz FFRDUNVEPNQHKK-MIGQKNRLSA-N 1 3 322.474 2.366 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCC[C@@](O)(C(F)(F)F)C1)C2 ZINC001169125657 785046133 /nfs/dbraw/zinc/04/61/33/785046133.db2.gz KVRYCUWMPCSMMM-CRWXNKLISA-N 1 3 306.372 2.391 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCC[C@@](O)(C(F)(F)F)C1)C2 ZINC001169125657 785046143 /nfs/dbraw/zinc/04/61/43/785046143.db2.gz KVRYCUWMPCSMMM-CRWXNKLISA-N 1 3 306.372 2.391 20 0 DEADHO CC(C)C(=O)N1CCC[C@]12CCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169136829 785053509 /nfs/dbraw/zinc/05/35/09/785053509.db2.gz AGRSMDDFKZHSNI-SFNKJDCFSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)C(=O)N1CCC[C@]12CCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169136829 785053516 /nfs/dbraw/zinc/05/35/16/785053516.db2.gz AGRSMDDFKZHSNI-SFNKJDCFSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001008052392 785092571 /nfs/dbraw/zinc/09/25/71/785092571.db2.gz LBYNEWONXXQIKP-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001008052392 785092578 /nfs/dbraw/zinc/09/25/78/785092578.db2.gz LBYNEWONXXQIKP-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO CC(=O)N1CCC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC001169589778 785251120 /nfs/dbraw/zinc/25/11/20/785251120.db2.gz VEDMWIFXBHCLEJ-QGZVFWFLSA-N 1 3 307.482 2.384 20 0 DEADHO CC(=O)N1CCC[C@@H]([N@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)C1 ZINC001169625936 785269050 /nfs/dbraw/zinc/26/90/50/785269050.db2.gz PONQDFGWJVVMLN-RCCFBDPRSA-N 1 3 307.482 2.336 20 0 DEADHO CC(=O)N1CCC[C@@H]([N@@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)C1 ZINC001169625936 785269059 /nfs/dbraw/zinc/26/90/59/785269059.db2.gz PONQDFGWJVVMLN-RCCFBDPRSA-N 1 3 307.482 2.336 20 0 DEADHO CC(=O)N1CCC[C@@H](N2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)C1 ZINC001169625936 785269066 /nfs/dbraw/zinc/26/90/66/785269066.db2.gz PONQDFGWJVVMLN-RCCFBDPRSA-N 1 3 307.482 2.336 20 0 DEADHO CC(=O)N1CCC[C@@H](N2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)C1 ZINC001169625936 785269075 /nfs/dbraw/zinc/26/90/75/785269075.db2.gz PONQDFGWJVVMLN-RCCFBDPRSA-N 1 3 307.482 2.336 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129357409 785488279 /nfs/dbraw/zinc/48/82/79/785488279.db2.gz KKSYBGWZXBMZCQ-OAHLLOKOSA-N 1 3 303.450 2.246 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+]CCNC(=O)C2(N(C)C)CCC2)c1 ZINC001129364596 785542399 /nfs/dbraw/zinc/54/23/99/785542399.db2.gz XSAXEFBLYWZTIN-OAHLLOKOSA-N 1 3 303.450 2.246 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC2CC([NH2+]CC3CC3)C2)c1 ZINC001091376069 791126967 /nfs/dbraw/zinc/12/69/67/791126967.db2.gz JLNFBLZOFAYXIT-UHFFFAOYSA-N 1 3 315.461 2.256 20 0 DEADHO C[C@@H](F)CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001014422222 786579308 /nfs/dbraw/zinc/57/93/08/786579308.db2.gz GWRLRBBMAQVFMA-HUUCEWRRSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H](F)CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001014422222 786579313 /nfs/dbraw/zinc/57/93/13/786579313.db2.gz GWRLRBBMAQVFMA-HUUCEWRRSA-N 1 3 313.461 2.190 20 0 DEADHO CN(C)[C@H](C(=O)NCC[NH2+][C@@H]1CCCc2ccccc21)C1CC1 ZINC001129444681 787212158 /nfs/dbraw/zinc/21/21/58/787212158.db2.gz XACJNRQUQYTZNM-MSOLQXFVSA-N 1 3 315.461 2.110 20 0 DEADHO CC[C@@H]([NH2+]CCNC(=O)[C@H](C1CC1)N(C)C)c1ccc(F)cc1 ZINC001129442517 787215682 /nfs/dbraw/zinc/21/56/82/787215682.db2.gz BSXRHFFXHSIVOO-SJORKVTESA-N 1 3 321.440 2.323 20 0 DEADHO CN(CC(=O)NCC[NH2+]Cc1ccc(Cl)cc1)C1CCC1 ZINC001129532299 787222975 /nfs/dbraw/zinc/22/29/75/787222975.db2.gz YDJMJXLEHSEKKL-UHFFFAOYSA-N 1 3 309.841 2.030 20 0 DEADHO Cc1ccccc1CCC[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C ZINC001129950240 787262541 /nfs/dbraw/zinc/26/25/41/787262541.db2.gz OXSQTAXBGSLSRF-SFHVURJKSA-N 1 3 319.493 2.220 20 0 DEADHO CC(C)[C@@H](C(=O)NCCNCc1ccc(Cl)s1)[NH+](C)C ZINC001129946985 787265195 /nfs/dbraw/zinc/26/51/95/787265195.db2.gz DDLROOVYJLHAEH-ZDUSSCGKSA-N 1 3 317.886 2.194 20 0 DEADHO Cc1cc(CNCCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)cs1 ZINC001130189749 787310121 /nfs/dbraw/zinc/31/01/21/787310121.db2.gz RQKTXSOCKGJCAB-JKSUJKDBSA-N 1 3 321.490 2.279 20 0 DEADHO Cc1cc(CNCCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)cs1 ZINC001130189749 787310134 /nfs/dbraw/zinc/31/01/34/787310134.db2.gz RQKTXSOCKGJCAB-JKSUJKDBSA-N 1 3 321.490 2.279 20 0 DEADHO C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CN1Cc1ccccc1 ZINC001132272936 788004426 /nfs/dbraw/zinc/00/44/26/788004426.db2.gz CENVHJJURGAPHV-RDJZCZTQSA-N 1 3 303.450 2.107 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C(C)C ZINC001097405633 788096636 /nfs/dbraw/zinc/09/66/36/788096636.db2.gz OXBNJVGYACEXLY-NCOADZHNSA-N 1 3 307.482 2.237 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C(C)C ZINC001097405633 788096643 /nfs/dbraw/zinc/09/66/43/788096643.db2.gz OXBNJVGYACEXLY-NCOADZHNSA-N 1 3 307.482 2.237 20 0 DEADHO C[C@@H](F)CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001097430330 788101599 /nfs/dbraw/zinc/10/15/99/788101599.db2.gz JINIMVVQAXKXQX-FPCVCCKLSA-N 1 3 323.456 2.084 20 0 DEADHO CC(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)N1CCCC1)C2 ZINC001097580588 788139075 /nfs/dbraw/zinc/13/90/75/788139075.db2.gz GHLNTPMDQYOTDP-ZJPYXAASSA-N 1 3 319.493 2.238 20 0 DEADHO CC(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)N1CCCC1)C2 ZINC001097580588 788139079 /nfs/dbraw/zinc/13/90/79/788139079.db2.gz GHLNTPMDQYOTDP-ZJPYXAASSA-N 1 3 319.493 2.238 20 0 DEADHO CCCC[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1C ZINC001132888367 788218575 /nfs/dbraw/zinc/21/85/75/788218575.db2.gz MRFUHQINZWHIGS-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1C ZINC001132891891 788219936 /nfs/dbraw/zinc/21/99/36/788219936.db2.gz ALUQIQWVKCPRID-CVEARBPZSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC1)N1CCCCCC1 ZINC001097972157 788303048 /nfs/dbraw/zinc/30/30/48/788303048.db2.gz PKHFJCLVVORRRT-DDBAPUKQSA-N 1 3 319.493 2.382 20 0 DEADHO C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC1)N1CCCCCC1 ZINC001097972157 788303055 /nfs/dbraw/zinc/30/30/55/788303055.db2.gz PKHFJCLVVORRRT-DDBAPUKQSA-N 1 3 319.493 2.382 20 0 DEADHO CC(C)[C@H](C(=O)NCC[NH2+]CC[C@@H]1CCCC1(F)F)N(C)C ZINC001133433907 788428657 /nfs/dbraw/zinc/42/86/57/788428657.db2.gz CYMVDPLXJGSOKA-UONOGXRCSA-N 1 3 319.440 2.104 20 0 DEADHO Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)CN2CC[C@H](C)C2)c1 ZINC001133851142 788632526 /nfs/dbraw/zinc/63/25/26/788632526.db2.gz XSUSXHCNEKKDOQ-RDJZCZTQSA-N 1 3 317.477 2.412 20 0 DEADHO C[C@H](NCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccccc1Cl ZINC001133851045 788633264 /nfs/dbraw/zinc/63/32/64/788633264.db2.gz VPKVILAHGBYJPJ-KGLIPLIRSA-N 1 3 323.868 2.449 20 0 DEADHO C[C@H](NCCNC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccccc1Cl ZINC001133851045 788633272 /nfs/dbraw/zinc/63/32/72/788633272.db2.gz VPKVILAHGBYJPJ-KGLIPLIRSA-N 1 3 323.868 2.449 20 0 DEADHO CC(C)(C)N1CC[C@](F)(C(=O)NCC[NH2+]CCCCCF)C1 ZINC001133856841 788640688 /nfs/dbraw/zinc/64/06/88/788640688.db2.gz SIUNMBKUJMHBON-MRXNPFEDSA-N 1 3 319.440 2.045 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]CCNC(=O)CN(C)CC(C)(C)C ZINC001133899535 788669535 /nfs/dbraw/zinc/66/95/35/788669535.db2.gz KWFYHPZRASYQJI-UHFFFAOYSA-N 1 3 323.456 2.318 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+][C@@H]1CCc2c1cccc2Cl)N(C)C ZINC001133962693 788694170 /nfs/dbraw/zinc/69/41/70/788694170.db2.gz LWJREUDROQMSRT-CVEARBPZSA-N 1 3 323.868 2.373 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+][C@@H](C)c1ccc(F)c(F)c1)N(C)C ZINC001133966239 788696363 /nfs/dbraw/zinc/69/63/63/788696363.db2.gz ZCKUVLSGSRVGDB-NHYWBVRUSA-N 1 3 313.392 2.072 20 0 DEADHO C[C@H](C[C@H](C)NC(=O)CN(C)C1CCC1)[NH2+]Cc1ccns1 ZINC001134612307 788998832 /nfs/dbraw/zinc/99/88/32/788998832.db2.gz KTPRQTLTKMUGPS-OLZOCXBDSA-N 1 3 324.494 2.000 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001135523514 789379092 /nfs/dbraw/zinc/37/90/92/789379092.db2.gz GVEBUJGBBFYARG-ZDUSSCGKSA-N 1 3 311.857 2.449 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1 ZINC001135743055 789475218 /nfs/dbraw/zinc/47/52/18/789475218.db2.gz DICNDVPFTJNSRS-CVEARBPZSA-N 1 3 305.466 2.401 20 0 DEADHO C[C@@H]1C[C@H](N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CN1Cc1ccccc1 ZINC000398054267 790242442 /nfs/dbraw/zinc/24/24/42/790242442.db2.gz UTMYWUIOLTYEAL-XFEAVSNESA-N 1 3 311.473 2.235 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001074562916 791231769 /nfs/dbraw/zinc/23/17/69/791231769.db2.gz NRPJXHPQXFQIGM-RYQLBKOJSA-N 1 3 315.461 2.168 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1 ZINC001146595203 791319694 /nfs/dbraw/zinc/31/96/94/791319694.db2.gz XNSUGHZSLLFYIC-JKSUJKDBSA-N 1 3 305.466 2.400 20 0 DEADHO CC(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001091738084 791783810 /nfs/dbraw/zinc/78/38/10/791783810.db2.gz PQUHGIFZDYVDOK-AOIWGVFYSA-N 1 3 321.509 2.153 20 0 DEADHO CC(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001091738084 791783812 /nfs/dbraw/zinc/78/38/12/791783812.db2.gz PQUHGIFZDYVDOK-AOIWGVFYSA-N 1 3 321.509 2.153 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@]2(C)C1 ZINC001091740755 791785164 /nfs/dbraw/zinc/78/51/64/791785164.db2.gz GQPNFSXMPGDMAU-QAPCUYQASA-N 1 3 307.482 2.051 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@]2(C)C1 ZINC001091740755 791785168 /nfs/dbraw/zinc/78/51/68/791785168.db2.gz GQPNFSXMPGDMAU-QAPCUYQASA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@H](C(=O)N1CC2(C[C@H]1C)CC[NH+](C(C)C)CC2)N(C)C ZINC001086929454 791859488 /nfs/dbraw/zinc/85/94/88/791859488.db2.gz INUZZTGUUSSSGJ-HZPDHXFCSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CC3CCC3)C[C@@]2(C)C1)N(C)C ZINC001091985916 791913054 /nfs/dbraw/zinc/91/30/54/791913054.db2.gz NENIVASLJBOLFO-LMMKCTJWSA-N 1 3 321.509 2.153 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CC3CCC3)C[C@@]2(C)C1)N(C)C ZINC001091985916 791913055 /nfs/dbraw/zinc/91/30/55/791913055.db2.gz NENIVASLJBOLFO-LMMKCTJWSA-N 1 3 321.509 2.153 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](C(C)C)C[C@@]2(C)C1 ZINC001092071412 791928547 /nfs/dbraw/zinc/92/85/47/791928547.db2.gz UZTKFECWSKGPPX-AOIWGVFYSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](C(C)C)C[C@@]2(C)C1 ZINC001092071412 791928551 /nfs/dbraw/zinc/92/85/51/791928551.db2.gz UZTKFECWSKGPPX-AOIWGVFYSA-N 1 3 321.509 2.438 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC3CC3)C[C@@]2(C)C1 ZINC001092302087 791973326 /nfs/dbraw/zinc/97/33/26/791973326.db2.gz SEAIVBCEVKBEQS-LMMKCTJWSA-N 1 3 319.493 2.051 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC3CC3)C[C@@]2(C)C1 ZINC001092302087 791973329 /nfs/dbraw/zinc/97/33/29/791973329.db2.gz SEAIVBCEVKBEQS-LMMKCTJWSA-N 1 3 319.493 2.051 20 0 DEADHO CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@]2(C)C1 ZINC001092303057 791973832 /nfs/dbraw/zinc/97/38/32/791973832.db2.gz PLBBJQBOUGGBOH-RYRKJORJSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@]2(C)C1 ZINC001092303057 791973839 /nfs/dbraw/zinc/97/38/39/791973839.db2.gz PLBBJQBOUGGBOH-RYRKJORJSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)CC(C)(C)C ZINC001099526823 792230919 /nfs/dbraw/zinc/23/09/19/792230919.db2.gz BCHIYYWRGBOTQZ-NXOAAHMSSA-N 1 3 321.509 2.153 20 0 DEADHO CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)CC(C)(C)C ZINC001099526823 792230927 /nfs/dbraw/zinc/23/09/27/792230927.db2.gz BCHIYYWRGBOTQZ-NXOAAHMSSA-N 1 3 321.509 2.153 20 0 DEADHO CN(C)[C@H](C(=O)NCC1CC([NH2+]CCC2CCCC2)C1)C1CC1 ZINC001100408030 792633332 /nfs/dbraw/zinc/63/33/32/792633332.db2.gz RSXQEFAIZXCZAG-VJFUWPCTSA-N 1 3 321.509 2.391 20 0 DEADHO CC[C@@H](C(=O)NCC1CC([NH2+]CCc2cccs2)C1)N(C)C ZINC001100684734 792788452 /nfs/dbraw/zinc/78/84/52/792788452.db2.gz MTZQQUYNJITKNU-XUJLQICISA-N 1 3 323.506 2.115 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+][C@@H](C)COC ZINC001171597065 793145404 /nfs/dbraw/zinc/14/54/04/793145404.db2.gz VDBXQHTZGGOJNO-GJZGRUSLSA-N 1 3 315.502 2.016 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@@H]2CN(C(=O)CN(C)CCC)C[C@]2(C)C1 ZINC001101443671 793164300 /nfs/dbraw/zinc/16/43/00/793164300.db2.gz NQQVOCRSOZVXFJ-UKPUQTQTSA-N 1 3 321.509 2.465 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)CCC)C[C@]2(C)C1 ZINC001101443671 793164306 /nfs/dbraw/zinc/16/43/06/793164306.db2.gz NQQVOCRSOZVXFJ-UKPUQTQTSA-N 1 3 321.509 2.465 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001171762359 793199298 /nfs/dbraw/zinc/19/92/98/793199298.db2.gz AUKCRMPTPLFMOP-CQSZACIVSA-N 1 3 319.440 2.250 20 0 DEADHO [NH3+]C1(CC2CCC2)CCN([C@@H]2CCN(C3CC3)C(=O)C2)CC1 ZINC001172006607 793278740 /nfs/dbraw/zinc/27/87/40/793278740.db2.gz XVYRVRMBRVYRKK-MRXNPFEDSA-N 1 3 305.466 2.123 20 0 DEADHO C[NH+]1C(C)(C)CC(N[C@H]2CCN(C3CC3)C(=O)C2)CC1(C)C ZINC001172009583 793280252 /nfs/dbraw/zinc/28/02/52/793280252.db2.gz QCUIQVVFTLSKNG-ZDUSSCGKSA-N 1 3 307.482 2.381 20 0 DEADHO CN1C(C)(C)CC([NH2+][C@H]2CCN(C3CC3)C(=O)C2)CC1(C)C ZINC001172009583 793280258 /nfs/dbraw/zinc/28/02/58/793280258.db2.gz QCUIQVVFTLSKNG-ZDUSSCGKSA-N 1 3 307.482 2.381 20 0 DEADHO CC[C@](N)(CO)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172077649 793310737 /nfs/dbraw/zinc/31/07/37/793310737.db2.gz UVRNJNTZGGSHTB-AKHDSKFASA-N 1 3 317.477 2.219 20 0 DEADHO CC[C@](N)(CO)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077649 793310746 /nfs/dbraw/zinc/31/07/46/793310746.db2.gz UVRNJNTZGGSHTB-AKHDSKFASA-N 1 3 317.477 2.219 20 0 DEADHO c1nc2c(s1)C[C@@H](N1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC001173134566 793586187 /nfs/dbraw/zinc/58/61/87/793586187.db2.gz IMTSXEVEMIJOII-AWEZNQCLSA-N 1 3 300.431 2.218 20 0 DEADHO c1nc2c(s1)C[C@H](N1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC001173134567 793586281 /nfs/dbraw/zinc/58/62/81/793586281.db2.gz IMTSXEVEMIJOII-CQSZACIVSA-N 1 3 300.431 2.218 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@@H](CNC(=O)CN(C)CCC)[C@H](C)C1 ZINC001102525279 793641243 /nfs/dbraw/zinc/64/12/43/793641243.db2.gz USFXTEJRCGHCFP-PMKBXARWSA-N 1 3 309.498 2.369 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)CN(C)CCC)[C@H](C)C1 ZINC001102525279 793641248 /nfs/dbraw/zinc/64/12/48/793641248.db2.gz USFXTEJRCGHCFP-PMKBXARWSA-N 1 3 309.498 2.369 20 0 DEADHO CC[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)C1 ZINC001173281926 793675847 /nfs/dbraw/zinc/67/58/47/793675847.db2.gz VGXOFMBKBXJDPP-DZVNLGKHSA-N 1 3 317.481 2.251 20 0 DEADHO CC[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)C1 ZINC001173281926 793675849 /nfs/dbraw/zinc/67/58/49/793675849.db2.gz VGXOFMBKBXJDPP-DZVNLGKHSA-N 1 3 317.481 2.251 20 0 DEADHO CCCN1C[C@@H]2C[N@H+]([C@@H]3CC[C@@H](CC(=O)OCC)C3)C[C@@H]2C1 ZINC001173661117 793798103 /nfs/dbraw/zinc/79/81/03/793798103.db2.gz OXUSTDUAKDGITA-WCXIOVBPSA-N 1 3 308.466 2.382 20 0 DEADHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](CC(=O)OCC)C3)C[C@@H]2C1 ZINC001173661117 793798109 /nfs/dbraw/zinc/79/81/09/793798109.db2.gz OXUSTDUAKDGITA-WCXIOVBPSA-N 1 3 308.466 2.382 20 0 DEADHO COC(=O)c1ccc(C[C@@H](C)[NH2+]CC[C@H]2CCCN2C)cc1 ZINC001173711427 793818500 /nfs/dbraw/zinc/81/85/00/793818500.db2.gz IKGNCHYELSDFKB-RHSMWYFYSA-N 1 3 304.434 2.478 20 0 DEADHO C[C@@H](CCCC[NH2+]CCCF)NC(=O)CN1CCC[C@@H]1C ZINC001175257202 794172179 /nfs/dbraw/zinc/17/21/79/794172179.db2.gz WRCNLWARSOABJA-GJZGRUSLSA-N 1 3 301.450 2.095 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1conc1C)N(C)C ZINC001175317896 794181272 /nfs/dbraw/zinc/18/12/72/794181272.db2.gz SZEBBDSAGGLGAY-CJNGLKHVSA-N 1 3 324.469 2.088 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)CCCC[NH2+]CCOC(C)C ZINC001175786150 794287975 /nfs/dbraw/zinc/28/79/75/794287975.db2.gz HGHINWUKXOWWBQ-INIZCTEOSA-N 1 3 315.502 2.018 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)CCCC[NH2+]CC[C@@H](C)F ZINC001176753358 794497948 /nfs/dbraw/zinc/49/79/48/794497948.db2.gz GTFKKCCLLOIPRT-HUUCEWRRSA-N 1 3 303.466 2.339 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CC=C(Cl)Cl ZINC001176992082 794551551 /nfs/dbraw/zinc/55/15/51/794551551.db2.gz IOQATYRWWUJRQO-GFCCVEGCSA-N 1 3 322.280 2.276 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C(C)C)C1 ZINC001112123400 794562163 /nfs/dbraw/zinc/56/21/63/794562163.db2.gz IEYNJVTXPYQFKQ-VXGBXAGGSA-N 1 3 323.403 2.104 20 0 DEADHO CC(C)(C(=O)NCCCCCC[NH2+]CCF)N1CCCCC1 ZINC001178487069 794936399 /nfs/dbraw/zinc/93/63/99/794936399.db2.gz NETKQWQAUUUZIH-UHFFFAOYSA-N 1 3 315.477 2.487 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCC(F)(F)F)[C@@H]1C ZINC001179534399 795126440 /nfs/dbraw/zinc/12/64/40/795126440.db2.gz KIPVVRODNMIIJL-AVGNSLFASA-N 1 3 321.387 2.002 20 0 DEADHO CC/C=C\CC[NH2+][C@H]1CCN(C(=O)CN2CCC[C@@H]2C)[C@H]1C ZINC001179534637 795127903 /nfs/dbraw/zinc/12/79/03/795127903.db2.gz RKXIHYMFPQXBMP-ORIYOMJCSA-N 1 3 307.482 2.406 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCC(C)(C)C)[C@@H]2C)C1 ZINC001179539445 795134019 /nfs/dbraw/zinc/13/40/19/795134019.db2.gz YAKMXBMDDRQZLV-JYJNAYRXSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](F)CC[NH2+]CCCCCCNC(=O)CN1CC[C@H](C)C1 ZINC001179586826 795137628 /nfs/dbraw/zinc/13/76/28/795137628.db2.gz TVJCPYHINGRFFR-HOTGVXAUSA-N 1 3 315.477 2.343 20 0 DEADHO C[C@@H](F)CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC001179779255 795170074 /nfs/dbraw/zinc/17/00/74/795170074.db2.gz HGQQYBCHBGQUQU-PMPSAXMXSA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CCF ZINC001179746444 795171104 /nfs/dbraw/zinc/17/11/04/795171104.db2.gz UMSQPWUILZZBKB-MRXNPFEDSA-N 1 3 315.477 2.485 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CCC2CCCC2)[C@@H]1C ZINC001179744303 795171254 /nfs/dbraw/zinc/17/12/54/795171254.db2.gz KNAZNHYUOQNNPV-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](F)C[NH2+]CCCCCCNC(=O)CN(CC)CC ZINC001179850433 795187941 /nfs/dbraw/zinc/18/79/41/795187941.db2.gz FEMWYHFDBNBQSI-OAHLLOKOSA-N 1 3 303.466 2.343 20 0 DEADHO CCN(CC)CC(=O)NCCCCCC[NH2+]Cc1cccnc1 ZINC001179846579 795188272 /nfs/dbraw/zinc/18/82/72/795188272.db2.gz MFPGMWKBSOQXLK-UHFFFAOYSA-N 1 3 320.481 2.190 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001120069178 795401649 /nfs/dbraw/zinc/40/16/49/795401649.db2.gz WOQJGJNFIZGTOL-UHFFFAOYSA-N 1 3 318.465 2.469 20 0 DEADHO CC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001181476714 795484037 /nfs/dbraw/zinc/48/40/37/795484037.db2.gz LYIDGAGYAJLFPO-CRAIPNDOSA-N 1 3 309.498 2.345 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001181994611 795576941 /nfs/dbraw/zinc/57/69/41/795576941.db2.gz LSZUKSHBFQWGAN-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001121773640 795685744 /nfs/dbraw/zinc/68/57/44/795685744.db2.gz SVUNCBWVUYUXKK-YCTIJVIUSA-N 1 3 321.509 2.391 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@]1(C)CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001182637422 795717354 /nfs/dbraw/zinc/71/73/54/795717354.db2.gz DGUJFYMRKYARDH-PNBKFKSVSA-N 1 3 315.477 2.149 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCCc2ccsc2)C1)N(C)C ZINC001183580941 795896971 /nfs/dbraw/zinc/89/69/71/795896971.db2.gz AGBCCUYQWTTZSH-HZPDHXFCSA-N 1 3 323.506 2.211 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001184576208 796085989 /nfs/dbraw/zinc/08/59/89/796085989.db2.gz HEZOHGNOWQUYOO-HOTGVXAUSA-N 1 3 309.498 2.201 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H](C[NH2+]C/C=C\Cl)[C@H](C)C1 ZINC001185357359 796237900 /nfs/dbraw/zinc/23/79/00/796237900.db2.gz CRSIMIDIBNJCPN-JHSOUAKNSA-N 1 3 315.889 2.155 20 0 DEADHO C[NH+](C)CCOc1ccc(CN2CCC[C@]3(CCO3)C2)cc1 ZINC001138773194 796273335 /nfs/dbraw/zinc/27/33/35/796273335.db2.gz VSLMPKRSMMZRGA-SFHVURJKSA-N 1 3 304.434 2.382 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CCCC(C)(C)C)C2)C1 ZINC001185659603 796300914 /nfs/dbraw/zinc/30/09/14/796300914.db2.gz LPPXJEUHJVPLDF-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001185659114 796301311 /nfs/dbraw/zinc/30/13/11/796301311.db2.gz DHPGRDIMYVFOLS-MBZYTVFJSA-N 1 3 307.482 2.265 20 0 DEADHO CN(C)CCC[N@H+](C)Cc1ccc(N2CCC(O)CC2)s1 ZINC001139290817 796355546 /nfs/dbraw/zinc/35/55/46/796355546.db2.gz UCBCIDLKGJFDNW-UHFFFAOYSA-N 1 3 311.495 2.093 20 0 DEADHO CN(C)CCC[N@@H+](C)Cc1ccc(N2CCC(O)CC2)s1 ZINC001139290817 796355549 /nfs/dbraw/zinc/35/55/49/796355549.db2.gz UCBCIDLKGJFDNW-UHFFFAOYSA-N 1 3 311.495 2.093 20 0 DEADHO CC(C)CCC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001186554774 796416107 /nfs/dbraw/zinc/41/61/07/796416107.db2.gz GNFSPIMEKQIWDK-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO CCN(CC)CC(=O)N1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC001203006417 796484745 /nfs/dbraw/zinc/48/47/45/796484745.db2.gz ZSDWDGZXLPXJBD-UHFFFAOYSA-N 1 3 321.440 2.248 20 0 DEADHO CCN1C[C@@H]2C[N@@H+](Cc3ccccc3-c3cnc(N)nc3)C[C@@H]2C1 ZINC001140328242 796508745 /nfs/dbraw/zinc/50/87/45/796508745.db2.gz YOKRKECMNIZRLR-CALCHBBNSA-N 1 3 323.444 2.109 20 0 DEADHO CCN1C[C@@H]2C[N@H+](Cc3ccccc3-c3cnc(N)nc3)C[C@@H]2C1 ZINC001140328242 796508747 /nfs/dbraw/zinc/50/87/47/796508747.db2.gz YOKRKECMNIZRLR-CALCHBBNSA-N 1 3 323.444 2.109 20 0 DEADHO CC[C@@H](F)CN[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001187921308 796603162 /nfs/dbraw/zinc/60/31/62/796603162.db2.gz DWZKAUNHMJLSOW-HZPDHXFCSA-N 1 3 313.461 2.191 20 0 DEADHO Cc1ncoc1CN1C[C@@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001141054477 796628660 /nfs/dbraw/zinc/62/86/60/796628660.db2.gz VNLGERDMDMDQAC-SJORKVTESA-N 1 3 312.417 2.332 20 0 DEADHO Cc1ncoc1CN1C[C@@H]2C[N@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001141054477 796628664 /nfs/dbraw/zinc/62/86/64/796628664.db2.gz VNLGERDMDMDQAC-SJORKVTESA-N 1 3 312.417 2.332 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001188158189 796640803 /nfs/dbraw/zinc/64/08/03/796640803.db2.gz GLZCJPWKJZIRTE-NVXWUHKLSA-N 1 3 303.450 2.278 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)N(CC)CC)[C@@H]2C1 ZINC001189110025 796765116 /nfs/dbraw/zinc/76/51/16/796765116.db2.gz JRPQQASZAKZTKI-YESZJQIVSA-N 1 3 309.498 2.440 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)N(CC)CC)[C@@H]2C1 ZINC001189110025 796765120 /nfs/dbraw/zinc/76/51/20/796765120.db2.gz JRPQQASZAKZTKI-YESZJQIVSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C)C[NH2+]CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001205469772 796912419 /nfs/dbraw/zinc/91/24/19/796912419.db2.gz XERWUMHQUWKHBL-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO CC/C=C\CC[N@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190675389 797056530 /nfs/dbraw/zinc/05/65/30/797056530.db2.gz LZEKTQMVUVROCK-OSJSJHBBSA-N 1 3 307.482 2.360 20 0 DEADHO CC/C=C\CC[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190675389 797056536 /nfs/dbraw/zinc/05/65/36/797056536.db2.gz LZEKTQMVUVROCK-OSJSJHBBSA-N 1 3 307.482 2.360 20 0 DEADHO C[C@H](NCCNC(=O)CCC[NH+]1CCCC1)c1cccc(F)c1 ZINC001152237598 797161448 /nfs/dbraw/zinc/16/14/48/797161448.db2.gz RBWSQVQSIGIWJX-HNNXBMFYSA-N 1 3 321.440 2.469 20 0 DEADHO CCc1ccccc1C[NH2+]CCNC(=O)[C@@H]1CCCCN1CC ZINC001152446344 797188436 /nfs/dbraw/zinc/18/84/36/797188436.db2.gz YAMYJINQSJHAJQ-SFHVURJKSA-N 1 3 317.477 2.329 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]C/C=C\c1ccccc1 ZINC001152445681 797188464 /nfs/dbraw/zinc/18/84/64/797188464.db2.gz MQOFJXWNNIOIBZ-YFWYWMRJSA-N 1 3 315.461 2.280 20 0 DEADHO CC(C)CCC[N@H+](C)[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001192353174 797370536 /nfs/dbraw/zinc/37/05/36/797370536.db2.gz BGHOFEVXLYACSA-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CCC[N@@H+](C)[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001192353174 797370543 /nfs/dbraw/zinc/37/05/43/797370543.db2.gz BGHOFEVXLYACSA-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)=CC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193026502 797492223 /nfs/dbraw/zinc/49/22/23/797492223.db2.gz KAIYCOQENUTVEP-KRWDZBQOSA-N 1 3 307.482 2.217 20 0 DEADHO CC(C)=CC[N@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193026502 797492225 /nfs/dbraw/zinc/49/22/25/797492225.db2.gz KAIYCOQENUTVEP-KRWDZBQOSA-N 1 3 307.482 2.217 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)CCC2CCCC2)C1 ZINC001193640089 797598712 /nfs/dbraw/zinc/59/87/12/797598712.db2.gz CRUUCBBSGBCGEZ-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001193640089 797598714 /nfs/dbraw/zinc/59/87/14/797598714.db2.gz CRUUCBBSGBCGEZ-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203791069 797698615 /nfs/dbraw/zinc/69/86/15/797698615.db2.gz CEBXJNMKWJHNIN-HZPDHXFCSA-N 1 3 309.498 2.390 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC=C(C)C)C1 ZINC001194266337 797702791 /nfs/dbraw/zinc/70/27/91/797702791.db2.gz PAOBYJNSRUJIQF-IRXDYDNUSA-N 1 3 307.482 2.360 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC=C(C)C)C1 ZINC001194266337 797702793 /nfs/dbraw/zinc/70/27/93/797702793.db2.gz PAOBYJNSRUJIQF-IRXDYDNUSA-N 1 3 307.482 2.360 20 0 DEADHO c1cc(NCc2ccc3c(c2)CC[NH2+]C3)nc(N2CCOCC2)c1 ZINC001155268674 797722123 /nfs/dbraw/zinc/72/21/23/797722123.db2.gz VGGKXCLCQZJYJR-UHFFFAOYSA-N 1 3 324.428 2.176 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC[NH2+]CC1CC2(CCC2)C1 ZINC001152145304 797781260 /nfs/dbraw/zinc/78/12/60/797781260.db2.gz ADOLNRUNWLVIPC-GJZGRUSLSA-N 1 3 307.482 2.145 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC001196010777 797993093 /nfs/dbraw/zinc/99/30/93/797993093.db2.gz TYBAROWAUXEEBO-MRXNPFEDSA-N 1 3 313.461 2.001 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC001196010777 797993096 /nfs/dbraw/zinc/99/30/96/797993096.db2.gz TYBAROWAUXEEBO-MRXNPFEDSA-N 1 3 313.461 2.001 20 0 DEADHO CCCC[N@@H+]1CCCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001196033232 797999515 /nfs/dbraw/zinc/99/95/15/797999515.db2.gz LGYAJZKPPKXFTH-OAHLLOKOSA-N 1 3 301.450 2.001 20 0 DEADHO CCCC[N@H+]1CCCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001196033232 797999518 /nfs/dbraw/zinc/99/95/18/797999518.db2.gz LGYAJZKPPKXFTH-OAHLLOKOSA-N 1 3 301.450 2.001 20 0 DEADHO c1ccc([C@@H](CNc2cc3c(nn2)CCNC3)[NH+]2CCCC2)cc1 ZINC001156531551 798023084 /nfs/dbraw/zinc/02/30/84/798023084.db2.gz OBFRDVGIXIXIFT-GOSISDBHSA-N 1 3 323.444 2.371 20 0 DEADHO Clc1cc(N2CCCC[C@@]23CCC[NH2+]C3)c2c(n1)CNCC2 ZINC001157472782 798213205 /nfs/dbraw/zinc/21/32/05/798213205.db2.gz JPLIIJXSNPOEJZ-KRWDZBQOSA-N 1 3 320.868 2.493 20 0 DEADHO CCC[NH+]1C[C@@H]2CN(c3ccc(CN4CCCC4)cn3)C[C@H]2C1 ZINC001157692520 798260061 /nfs/dbraw/zinc/26/00/61/798260061.db2.gz RKUKZVGGXCQRRH-QZTJIDSGSA-N 1 3 314.477 2.455 20 0 DEADHO CCOC(=O)c1c[nH]c2ncnc(NCC(C)(C)C[NH+](C)C)c12 ZINC001157942102 798309166 /nfs/dbraw/zinc/30/91/66/798309166.db2.gz NSFUWCNWERZKBI-UHFFFAOYSA-N 1 3 319.409 2.134 20 0 DEADHO CC[C@@H](F)C[NH2+]C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001203904452 798331006 /nfs/dbraw/zinc/33/10/06/798331006.db2.gz WWXVJOCPDAOIFY-GDBMZVCRSA-N 1 3 313.461 2.190 20 0 DEADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1ccc(C2CCC2)nc1 ZINC001199286162 798462065 /nfs/dbraw/zinc/46/20/65/798462065.db2.gz OVJPLFNHKRRXFY-UHFFFAOYSA-N 1 3 317.437 2.027 20 0 DEADHO N[C@@H](CC1CCC1)C(=O)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001158968787 798496546 /nfs/dbraw/zinc/49/65/46/798496546.db2.gz XTMUKDYMDRYGCA-KRWDZBQOSA-N 1 3 319.493 2.371 20 0 DEADHO N[C@@H](CC1CCC1)C(=O)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001158968787 798496549 /nfs/dbraw/zinc/49/65/49/798496549.db2.gz XTMUKDYMDRYGCA-KRWDZBQOSA-N 1 3 319.493 2.371 20 0 DEADHO C[C@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C)c1ccc(F)cc1 ZINC001159931470 798627815 /nfs/dbraw/zinc/62/78/15/798627815.db2.gz DDMGWXAVWQFQJH-SUMWQHHRSA-N 1 3 321.440 2.323 20 0 DEADHO Cc1cc(C[NH2+]CCCNC(=O)[C@@H](C2CC2)N(C)C)c(C)s1 ZINC001159931796 798627938 /nfs/dbraw/zinc/62/79/38/798627938.db2.gz IITNQLRNEKJLCK-MRXNPFEDSA-N 1 3 323.506 2.301 20 0 DEADHO C[C@@H]([NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C)c1ccccc1F ZINC001159932620 798628116 /nfs/dbraw/zinc/62/81/16/798628116.db2.gz SZVFJQULLIMBDN-DYVFJYSZSA-N 1 3 321.440 2.323 20 0 DEADHO NCc1ccc(Nc2cccc(OCC[NH+]3CCCC3)n2)cn1 ZINC001160402564 798684468 /nfs/dbraw/zinc/68/44/68/798684468.db2.gz UNJNSSHJCZSNSB-UHFFFAOYSA-N 1 3 313.405 2.154 20 0 DEADHO [NH3+]Cc1ccc(Nc2cc3c(nn2)CCNC3)c(C(F)(F)F)c1 ZINC001160419240 798686604 /nfs/dbraw/zinc/68/66/04/798686604.db2.gz MHWJXEYNZYSBIK-UHFFFAOYSA-N 1 3 323.322 2.343 20 0 DEADHO C[NH2+]Cc1ccc(NC(=O)[C@@](C)(N)Cc2ccc(F)cc2)cc1 ZINC001160443786 798689090 /nfs/dbraw/zinc/68/90/90/798689090.db2.gz PYJXHLDQZAMLDS-SFHVURJKSA-N 1 3 315.392 2.444 20 0 DEADHO [NH3+]Cc1cccc2ccn(-c3nc(Cl)nc4c3CNCC4)c21 ZINC001160453431 798690661 /nfs/dbraw/zinc/69/06/61/798690661.db2.gz LVRVWPSRJQROAB-UHFFFAOYSA-N 1 3 313.792 2.178 20 0 DEADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@@H]1c1cc2ccccc2[nH]1 ZINC001160497631 798695119 /nfs/dbraw/zinc/69/51/19/798695119.db2.gz BIFAFCNWIKSZPY-WMLDXEAASA-N 1 3 314.433 2.288 20 0 DEADHO C[NH+](C)C1(C)CN(C(=O)[C@H](N)Cc2ccc(C(C)(C)C)cc2)C1 ZINC001160645697 798714598 /nfs/dbraw/zinc/71/45/98/798714598.db2.gz SSONQEOPKXCUGK-MRXNPFEDSA-N 1 3 317.477 2.016 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCCC2(CC(F)C2)CC1 ZINC001160755924 798736497 /nfs/dbraw/zinc/73/64/97/798736497.db2.gz CBHIYWVVMGAXND-CKDBGZEDSA-N 1 3 313.461 2.176 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001160883968 798755272 /nfs/dbraw/zinc/75/52/72/798755272.db2.gz ZQQDDAKJNVZAKU-OAHLLOKOSA-N 1 3 311.857 2.276 20 0 DEADHO CCCCC[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001201725923 798790722 /nfs/dbraw/zinc/79/07/22/798790722.db2.gz ALKDIAISEDXDPO-UHFFFAOYSA-N 1 3 305.466 2.001 20 0 DEADHO CCCCC[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001201725923 798790727 /nfs/dbraw/zinc/79/07/27/798790727.db2.gz ALKDIAISEDXDPO-UHFFFAOYSA-N 1 3 305.466 2.001 20 0 DEADHO CN(C(=O)[C@H]1CCC[C@H](c2ccccc2)N1)C1(C)CC[NH2+]CC1 ZINC001161074261 798791803 /nfs/dbraw/zinc/79/18/03/798791803.db2.gz XHUNHASPKLQZSY-IAGOWNOFSA-N 1 3 315.461 2.470 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CCc1ccccc1 ZINC001161233375 798814866 /nfs/dbraw/zinc/81/48/66/798814866.db2.gz UJCQWAFFEXUEIH-UHFFFAOYSA-N 1 3 305.466 2.055 20 0 DEADHO CC(C)N(C(=O)[C@]12C[NH2+]C[C@H]1CNCC2)[C@@H](C)c1ccccc1 ZINC001161442949 798860642 /nfs/dbraw/zinc/86/06/42/798860642.db2.gz JBDKCIOOAXACJZ-KVSKMBFKSA-N 1 3 315.461 2.184 20 0 DEADHO Cc1cccc(CCC(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001161445123 798861310 /nfs/dbraw/zinc/86/13/10/798861310.db2.gz OBCQREBAAUHFJT-GOSISDBHSA-N 1 3 317.477 2.070 20 0 DEADHO CN1CCC(N(C(=O)CC2CC[NH2+]CC2)C2CCCC2)CC1 ZINC001161454379 798862043 /nfs/dbraw/zinc/86/20/43/798862043.db2.gz VNPLTXQWLXAZNW-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCC1=CC[N@@H+](C(C)C)CC1 ZINC001161952727 798977306 /nfs/dbraw/zinc/97/73/06/798977306.db2.gz KWDWCKFSFXHSLJ-KRWDZBQOSA-N 1 3 307.482 2.408 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCC1=CC[N@H+](C(C)C)CC1 ZINC001161952727 798977310 /nfs/dbraw/zinc/97/73/10/798977310.db2.gz KWDWCKFSFXHSLJ-KRWDZBQOSA-N 1 3 307.482 2.408 20 0 DEADHO CC/C=C\CC[NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001202495297 798979443 /nfs/dbraw/zinc/97/94/43/798979443.db2.gz CRIUQYQKRAXFEQ-YIEVGGLXSA-N 1 3 307.482 2.265 20 0 DEADHO COCCC1([NH3+])CCN(c2ncccc2CN2CCCC2)CC1 ZINC001162045517 799002549 /nfs/dbraw/zinc/00/25/49/799002549.db2.gz JBTXKRVYMSIUFE-UHFFFAOYSA-N 1 3 318.465 2.012 20 0 DEADHO CC[C@@H](C(=O)N1CCC([NH2+]CCCCCF)CC1)N(C)C ZINC001202531703 799131100 /nfs/dbraw/zinc/13/11/00/799131100.db2.gz LRNWJPOBFKKDHL-HNNXBMFYSA-N 1 3 301.450 2.047 20 0 DEADHO CC[NH2+]CCN(CCc1ccccc1)C(=O)CN1CC[C@H](C)C1 ZINC001162928363 799203902 /nfs/dbraw/zinc/20/39/02/799203902.db2.gz HRIKQDOVUASNFI-KRWDZBQOSA-N 1 3 317.477 2.009 20 0 DEADHO CCN(CC)CCNC(=[NH2+])Nc1ncnc2ccc(F)cc21 ZINC001163122418 799251991 /nfs/dbraw/zinc/25/19/91/799251991.db2.gz JPSKYQBNBPDFLD-UHFFFAOYSA-N 1 3 304.373 2.047 20 0 DEADHO CCN(CC)CCNC(=[NH2+])Nc1nc(C)nc2ccccc21 ZINC001163122706 799252297 /nfs/dbraw/zinc/25/22/97/799252297.db2.gz QAQUAEIPBITUOT-UHFFFAOYSA-N 1 3 300.410 2.216 20 0 DEADHO c1ccc(-c2cnccc2N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)cc1 ZINC001163329420 799312890 /nfs/dbraw/zinc/31/28/90/799312890.db2.gz YHDPUYQCMLXMIP-QFBILLFUSA-N 1 3 309.413 2.494 20 0 DEADHO Cc1cc(CN)nn1-c1cc(C[NH+](C)C)ccc1Br ZINC001163987822 799472664 /nfs/dbraw/zinc/47/26/64/799472664.db2.gz CQHXGTMPJVRRDM-UHFFFAOYSA-N 1 3 323.238 2.464 20 0 DEADHO CCOc1cc(C)c(NCC2(N(C)C)CC[NH+](C)CC2)cn1 ZINC001164212731 799540262 /nfs/dbraw/zinc/54/02/62/799540262.db2.gz ADELTKMKYDBMKN-UHFFFAOYSA-N 1 3 306.454 2.227 20 0 DEADHO CC(C)=CC[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001165485246 799737156 /nfs/dbraw/zinc/73/71/56/799737156.db2.gz QGDXRUZOLYRHMF-MRXNPFEDSA-N 1 3 307.482 2.169 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001166626104 799904584 /nfs/dbraw/zinc/90/45/84/799904584.db2.gz APPPBERKEXQOFO-KGLIPLIRSA-N 1 3 317.424 2.002 20 0 DEADHO CC1(C)CCN(CC(=O)NCCC[NH2+]CC2CC3(CCC3)C2)C1 ZINC001166764872 799945507 /nfs/dbraw/zinc/94/55/07/799945507.db2.gz LRIWKCGIZAOVMG-UHFFFAOYSA-N 1 3 321.509 2.395 20 0 DEADHO COc1ccc(CN2CCN(CC3CC[NH+](C)CC3)CC2)cc1 ZINC001203959655 800151628 /nfs/dbraw/zinc/15/16/28/800151628.db2.gz WAXIIMNJRJSKAL-UHFFFAOYSA-N 1 3 317.477 2.155 20 0 DEADHO C[NH+]1CCC(CN2CCN(Cc3cccc(F)c3F)CC2)CC1 ZINC001204200485 800187867 /nfs/dbraw/zinc/18/78/67/800187867.db2.gz IESXMVVSMAVQSU-UHFFFAOYSA-N 1 3 323.431 2.424 20 0 DEADHO COc1cc(CN2C[C@H](C)[C@H](C[NH3+])C2)ccc1-n1cnc(C)c1 ZINC001205146458 800305317 /nfs/dbraw/zinc/30/53/17/800305317.db2.gz XAZLCEXWHUODRY-XJKSGUPXSA-N 1 3 314.433 2.216 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC(C[NH2+]C/C=C\Cl)CC1)N(C)C ZINC001205493158 800364925 /nfs/dbraw/zinc/36/49/25/800364925.db2.gz SXZPDOUOSLCPRD-KKTNHOPESA-N 1 3 315.889 2.153 20 0 DEADHO COC(=O)c1cc(CN2CCC[C@](F)(C[NH3+])CC2)ccc1OC ZINC001205581467 800381342 /nfs/dbraw/zinc/38/13/42/800381342.db2.gz UGLQENFIQVSQIX-QGZVFWFLSA-N 1 3 324.396 2.135 20 0 DEADHO C[C@H]1CC[N@H+](Cc2ccc([O-])c3[nH]c(=O)ccc23)CC[C@H]1C[NH3+] ZINC001205637504 800391210 /nfs/dbraw/zinc/39/12/10/800391210.db2.gz HOZIXAQCYBHBBL-STQMWFEESA-N 1 3 315.417 2.453 20 0 DEADHO C[C@H]1CC[N@@H+](Cc2ccc([O-])c3[nH]c(=O)ccc23)CC[C@H]1C[NH3+] ZINC001205637504 800391215 /nfs/dbraw/zinc/39/12/15/800391215.db2.gz HOZIXAQCYBHBBL-STQMWFEESA-N 1 3 315.417 2.453 20 0 DEADHO COc1ccc2[nH]c(CN3CCC[C@H](C[NH3+])[C@H](C)C3)nc2c1 ZINC001206036505 800463042 /nfs/dbraw/zinc/46/30/42/800463042.db2.gz KJAZWHGGBCKTGS-CHWSQXEVSA-N 1 3 302.422 2.378 20 0 DEADHO CN(C)Cc1cc(F)cc(CN2C[C@@H]([NH3+])CC(F)(F)C2)c1 ZINC001206138295 800478125 /nfs/dbraw/zinc/47/81/25/800478125.db2.gz AMYYZQFUQKFWNX-AWEZNQCLSA-N 1 3 301.356 2.056 20 0 DEADHO N[C@@H]1CC[N@H+](C[C@H]2CCN(Cc3ccccc3)C2)CC[C@@H]1F ZINC001206157189 800481597 /nfs/dbraw/zinc/48/15/97/800481597.db2.gz XELPLSDDYQSYQG-FGTMMUONSA-N 1 3 305.441 2.270 20 0 DEADHO N[C@@H]1CC[N@@H+](C[C@H]2CCN(Cc3ccccc3)C2)CC[C@@H]1F ZINC001206157189 800481600 /nfs/dbraw/zinc/48/16/00/800481600.db2.gz XELPLSDDYQSYQG-FGTMMUONSA-N 1 3 305.441 2.270 20 0 DEADHO CCOC(=O)c1ncc(CNCCCC[N@H+](C)C2CC2)s1 ZINC001206159461 800481786 /nfs/dbraw/zinc/48/17/86/800481786.db2.gz MQWBAMPCOTZFFH-UHFFFAOYSA-N 1 3 311.451 2.284 20 0 DEADHO CCOC(=O)c1ncc(CNCCCC[N@@H+](C)C2CC2)s1 ZINC001206159461 800481790 /nfs/dbraw/zinc/48/17/90/800481790.db2.gz MQWBAMPCOTZFFH-UHFFFAOYSA-N 1 3 311.451 2.284 20 0 DEADHO [NH3+][C@@H]1CCN(Cc2ccc(-c3ncccn3)cc2)CC[C@@H]1F ZINC001206173166 800483410 /nfs/dbraw/zinc/48/34/10/800483410.db2.gz FMVHLQCJHBSJRK-JKSUJKDBSA-N 1 3 300.381 2.405 20 0 DEADHO [NH3+]C[C@H]1CN(CCCc2ccc(Cl)c(Cl)c2)C[C@H]1O ZINC001206454303 800535280 /nfs/dbraw/zinc/53/52/80/800535280.db2.gz DCFPGAHFVPFFGJ-SMDDNHRTSA-N 1 3 303.233 2.177 20 0 DEADHO CN1CC[C@@H](NC(=O)CC[NH2+]C(C)(C)C)[C@@H]1c1ccccc1 ZINC000935117565 800565761 /nfs/dbraw/zinc/56/57/61/800565761.db2.gz GNDWRZIVZAXXPO-WBVHZDCISA-N 1 3 303.450 2.326 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CCCF)CC1 ZINC001206952356 800640009 /nfs/dbraw/zinc/64/00/09/800640009.db2.gz LSOXCNSKYAMXTN-MRXNPFEDSA-N 1 3 313.461 2.049 20 0 DEADHO CC1=CC[C@@H](CC[N@@H+]2CCC(=O)N(CCN(C)C)CC2)C1(C)C ZINC001207276791 800721259 /nfs/dbraw/zinc/72/12/59/800721259.db2.gz OSSISVYACFDQMT-KRWDZBQOSA-N 1 3 321.509 2.465 20 0 DEADHO CC1=CC[C@@H](CC[N@H+]2CCC(=O)N(CCN(C)C)CC2)C1(C)C ZINC001207276791 800721263 /nfs/dbraw/zinc/72/12/63/800721263.db2.gz OSSISVYACFDQMT-KRWDZBQOSA-N 1 3 321.509 2.465 20 0 DEADHO CC(C)(C)OC(=O)N1CCCCC12CN(CC1CC[NH2+]CC1)C2 ZINC001207438573 800752557 /nfs/dbraw/zinc/75/25/57/800752557.db2.gz ANJIPNAGGNSYOJ-UHFFFAOYSA-N 1 3 323.481 2.461 20 0 DEADHO COC(=O)CCN(CCC1CC[NH+](C)CC1)Cc1ccco1 ZINC001207483722 800765168 /nfs/dbraw/zinc/76/51/68/800765168.db2.gz HNPYBWQRSMEDOF-UHFFFAOYSA-N 1 3 308.422 2.377 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001207653060 800798382 /nfs/dbraw/zinc/79/83/82/800798382.db2.gz VZRQAJIHALQOOD-OIISXLGYSA-N 1 3 311.514 2.445 20 0 DEADHO CCC(CC)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001207653060 800798386 /nfs/dbraw/zinc/79/83/86/800798386.db2.gz VZRQAJIHALQOOD-OIISXLGYSA-N 1 3 311.514 2.445 20 0 DEADHO CN(CCCN(C)C(=O)CC[NH2+]C(C)(C)C)Cc1ccco1 ZINC000935963053 800814237 /nfs/dbraw/zinc/81/42/37/800814237.db2.gz JMKOFWATTQHECT-UHFFFAOYSA-N 1 3 309.454 2.338 20 0 DEADHO C[NH+]1CCC(C)(CN2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)CC1 ZINC001208107571 800913663 /nfs/dbraw/zinc/91/36/63/800913663.db2.gz PTVGIQMIHYWZFH-RCCFBDPRSA-N 1 3 322.493 2.377 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]CCCCCF)C1 ZINC001208453656 800986274 /nfs/dbraw/zinc/98/62/74/800986274.db2.gz MNMLNGACSBJUOX-OAHLLOKOSA-N 1 3 315.477 2.437 20 0 DEADHO Cc1cccnc1N1CCCN(C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208605453 801025727 /nfs/dbraw/zinc/02/57/27/801025727.db2.gz ACJQUEZWSSUWPY-KRWDZBQOSA-N 1 3 302.466 2.244 20 0 DEADHO Cc1cccnc1N1CCCN(C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001208605453 801025734 /nfs/dbraw/zinc/02/57/34/801025734.db2.gz ACJQUEZWSSUWPY-KRWDZBQOSA-N 1 3 302.466 2.244 20 0 DEADHO C[N@@H+]1CCC[C@H](CN2CC[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)C1 ZINC001208608885 801030469 /nfs/dbraw/zinc/03/04/69/801030469.db2.gz XHCNLGPIZRZLEX-HRCADAONSA-N 1 3 323.481 2.412 20 0 DEADHO C[N@H+]1CCC[C@H](CN2CC[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)C1 ZINC001208608885 801030470 /nfs/dbraw/zinc/03/04/70/801030470.db2.gz XHCNLGPIZRZLEX-HRCADAONSA-N 1 3 323.481 2.412 20 0 DEADHO CN1CCC[C@@H](C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)C1 ZINC001208612619 801032640 /nfs/dbraw/zinc/03/26/40/801032640.db2.gz MXNVHAGHYIJPEB-AQNXPRMDSA-N 1 3 313.489 2.392 20 0 DEADHO CN1CCC[C@@H](C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)C1 ZINC001208612619 801032646 /nfs/dbraw/zinc/03/26/46/801032646.db2.gz MXNVHAGHYIJPEB-AQNXPRMDSA-N 1 3 313.489 2.392 20 0 DEADHO CN(C)C(=O)CCN(C)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208940089 801098891 /nfs/dbraw/zinc/09/88/91/801098891.db2.gz OYRRZGJTXBRSHR-SFHVURJKSA-N 1 3 317.477 2.309 20 0 DEADHO CN(C)C(=O)CCN(C)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208940089 801098895 /nfs/dbraw/zinc/09/88/95/801098895.db2.gz OYRRZGJTXBRSHR-SFHVURJKSA-N 1 3 317.477 2.309 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001209633445 801240142 /nfs/dbraw/zinc/24/01/42/801240142.db2.gz VIFXOPRPGYMAKJ-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](F)CC[NH2+][C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209660305 801249125 /nfs/dbraw/zinc/24/91/25/801249125.db2.gz PJLPNPUZXXRBFE-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)=CC[NH2+][C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209661167 801249661 /nfs/dbraw/zinc/24/96/61/801249661.db2.gz UAXUXCCHYNBAKA-INIZCTEOSA-N 1 3 307.482 2.265 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H](C)F ZINC001229868758 801330113 /nfs/dbraw/zinc/33/01/13/801330113.db2.gz MXFSRMPCBCJLGT-RBSFLKMASA-N 1 3 301.450 2.093 20 0 DEADHO C[C@@H]1CNCC(F)(F)[C@H]1C[N@@H+]1CCNC[C@@H]1c1ccccc1 ZINC001210194753 801349922 /nfs/dbraw/zinc/34/99/22/801349922.db2.gz ANPCNWJXZCLRSH-VNQPRFMTSA-N 1 3 309.404 2.124 20 0 DEADHO C[C@@H]1CNCC(F)(F)[C@H]1C[N@H+]1CCNC[C@@H]1c1ccccc1 ZINC001210194753 801349929 /nfs/dbraw/zinc/34/99/29/801349929.db2.gz ANPCNWJXZCLRSH-VNQPRFMTSA-N 1 3 309.404 2.124 20 0 DEADHO CCC[N@H+](CCCNC(=O)[C@@H](CC)N(C)C)Cc1cccnc1 ZINC001230783369 801490819 /nfs/dbraw/zinc/49/08/19/801490819.db2.gz GKMZVVXSBXYTPW-QGZVFWFLSA-N 1 3 320.481 2.140 20 0 DEADHO CCC[N@@H+](CCCNC(=O)[C@@H](CC)N(C)C)Cc1cccnc1 ZINC001230783369 801490824 /nfs/dbraw/zinc/49/08/24/801490824.db2.gz GKMZVVXSBXYTPW-QGZVFWFLSA-N 1 3 320.481 2.140 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2CCCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001211270158 801540867 /nfs/dbraw/zinc/54/08/67/801540867.db2.gz XRZJAODPHYLKQQ-SFHVURJKSA-N 1 3 317.477 2.416 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001211283673 801541593 /nfs/dbraw/zinc/54/15/93/801541593.db2.gz IKNDDRJBMUSIPI-QGZVFWFLSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001214904942 801774239 /nfs/dbraw/zinc/77/42/39/801774239.db2.gz QVLNPHKOOTVZBB-ZACQAIPSSA-N 1 3 311.514 2.445 20 0 DEADHO C[C@@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)c1ccccc1F ZINC001215458917 801863887 /nfs/dbraw/zinc/86/38/87/801863887.db2.gz PRDSMBQIRMWZCK-CKEIUWERSA-N 1 3 321.440 2.275 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC(C)(C)C)C1)N(C)C ZINC001215474472 801865541 /nfs/dbraw/zinc/86/55/41/801865541.db2.gz UHSHXNHPEKLLMH-BZUAXINKSA-N 1 3 311.514 2.445 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CCCC1CCC1 ZINC001215540999 801872962 /nfs/dbraw/zinc/87/29/62/801872962.db2.gz UNGNZPJMJBLVMB-LZLYRXPVSA-N 1 3 321.509 2.345 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2cccs2)C1 ZINC001216002002 801925179 /nfs/dbraw/zinc/92/51/79/801925179.db2.gz NZLUHJHWUVXXTH-GDBMZVCRSA-N 1 3 323.506 2.069 20 0 DEADHO c1cc(-c2nc(-c3ccc4c(n3)CCNC4)no2)cc2c1C[NH2+]C2 ZINC001217400266 802074561 /nfs/dbraw/zinc/07/45/61/802074561.db2.gz OJNZQINCDHDWKK-UHFFFAOYSA-N 1 3 319.368 2.048 20 0 DEADHO Nc1cccc(C[N@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)n1 ZINC001233369399 802092007 /nfs/dbraw/zinc/09/20/07/802092007.db2.gz MXQSSEBHCPLZPR-OKILXGFUSA-N 1 3 314.458 2.289 20 0 DEADHO Nc1cccc(C[N@@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)n1 ZINC001233369399 802092016 /nfs/dbraw/zinc/09/20/16/802092016.db2.gz MXQSSEBHCPLZPR-OKILXGFUSA-N 1 3 314.458 2.289 20 0 DEADHO N[C@H](C(=O)Nc1cnc2cc(Cl)ccc2c1)C1CC[NH2+]CC1 ZINC001218648963 802221962 /nfs/dbraw/zinc/22/19/62/802221962.db2.gz OPUDHGWUCXPMIV-HNNXBMFYSA-N 1 3 318.808 2.154 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cnc2ccccc2n1 ZINC001218653476 802222777 /nfs/dbraw/zinc/22/27/77/802222777.db2.gz SVKWMIAEYOXMRK-ZDUSSCGKSA-N 1 3 315.421 2.064 20 0 DEADHO Cc1cccc2ncc(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)n21 ZINC001218736291 802234725 /nfs/dbraw/zinc/23/47/25/802234725.db2.gz IADJPSSEESATRM-AWEZNQCLSA-N 1 3 317.437 2.077 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cccc2nsnc21 ZINC001218807966 802243506 /nfs/dbraw/zinc/24/35/06/802243506.db2.gz SFOLIQPIVCTCIN-NSHDSACASA-N 1 3 321.450 2.125 20 0 DEADHO CC(C)(C[NH3+])c1ccc(NC(=O)C[C@@H]2CCNC[C@@H]2F)cc1 ZINC001218898273 802254831 /nfs/dbraw/zinc/25/48/31/802254831.db2.gz MDDLJMUVQQFULP-WFASDCNBSA-N 1 3 307.413 2.199 20 0 DEADHO COc1cc2[nH]ccc2c(NC(=O)[C@@H](N)CCCC[NH+](C)C)c1 ZINC001219361029 802317198 /nfs/dbraw/zinc/31/71/98/802317198.db2.gz XOOKDVUCMLCBEM-AWEZNQCLSA-N 1 3 318.421 2.174 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)NC(C)(C)Cc1ccc(F)cc1 ZINC001219923592 802390700 /nfs/dbraw/zinc/39/07/00/802390700.db2.gz SOCZKEXKILTLCM-INIZCTEOSA-N 1 3 323.456 2.322 20 0 DEADHO C[NH+](C)CCCCCNC(=O)[C@H](N)C12CC3CC(CC(C3)C1)C2 ZINC001219920679 802390956 /nfs/dbraw/zinc/39/09/56/802390956.db2.gz ISYIGCHSLRDAPQ-WCWCZOKXSA-N 1 3 321.509 2.378 20 0 DEADHO N[C@@H](C(=O)NC1c2ccccc2-c2ccccc21)C1CC[NH2+]CC1 ZINC001220067992 802408555 /nfs/dbraw/zinc/40/85/55/802408555.db2.gz YYWOELYEGBCOKC-GOSISDBHSA-N 1 3 321.424 2.200 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC(C)(C)C1 ZINC001220289271 802438839 /nfs/dbraw/zinc/43/88/39/802438839.db2.gz YCIBWBRMNUJHJY-KFWWJZLASA-N 1 3 307.482 2.192 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CC(C)(C)C1 ZINC001220289271 802438846 /nfs/dbraw/zinc/43/88/46/802438846.db2.gz YCIBWBRMNUJHJY-KFWWJZLASA-N 1 3 307.482 2.192 20 0 DEADHO C[C@H]([NH3+])c1cccc(C(=O)NC[C@@H]2Cc3ccccc3CN2)c1 ZINC001221401169 802566753 /nfs/dbraw/zinc/56/67/53/802566753.db2.gz WIGFIXOQCPWSHB-UGSOOPFHSA-N 1 3 309.413 2.151 20 0 DEADHO CC[C@H](C(=O)N1C[C@H]2CC[N@H+](CC(C)C)C[C@H]21)N(CC)CC ZINC001221808620 802618353 /nfs/dbraw/zinc/61/83/53/802618353.db2.gz HKKSREDYWRCALF-BRWVUGGUSA-N 1 3 309.498 2.296 20 0 DEADHO CC[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC(C)C)C[C@H]21)N(CC)CC ZINC001221808620 802618355 /nfs/dbraw/zinc/61/83/55/802618355.db2.gz HKKSREDYWRCALF-BRWVUGGUSA-N 1 3 309.498 2.296 20 0 DEADHO Clc1ccc2cc(CN3CCNC4(CC[NH2+]CC4)C3)[nH]c2c1 ZINC001222099994 802643326 /nfs/dbraw/zinc/64/33/26/802643326.db2.gz PLMPSLPMAIYWJC-UHFFFAOYSA-N 1 3 318.852 2.349 20 0 DEADHO CC/C=C\CCCCCC[N@@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001222521267 802700613 /nfs/dbraw/zinc/70/06/13/802700613.db2.gz OPEUIHYMWRKJAG-ZRHASKPBSA-N 1 3 319.493 2.315 20 0 DEADHO CC/C=C\CCCCCC[N@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001222521267 802700617 /nfs/dbraw/zinc/70/06/17/802700617.db2.gz OPEUIHYMWRKJAG-ZRHASKPBSA-N 1 3 319.493 2.315 20 0 DEADHO [NH3+]CC1(F)CCN(Cc2cccc(-c3ccccn3)n2)CC1 ZINC001222552366 802706315 /nfs/dbraw/zinc/70/63/15/802706315.db2.gz BVAJKLLYTKMRBS-UHFFFAOYSA-N 1 3 300.381 2.406 20 0 DEADHO CC(C)[C@H](C(=O)NCC1CCN(C/C=C/Cl)CC1)[NH+](C)C ZINC001224402468 802864377 /nfs/dbraw/zinc/86/43/77/802864377.db2.gz IVWZEBSZRDZKOW-SBJJXXPASA-N 1 3 315.889 2.153 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC2CC[NH+](CC3CCCC3)CC2)C1 ZINC001224559340 802881991 /nfs/dbraw/zinc/88/19/91/802881991.db2.gz MJKDHXQQDJDVOD-MRXNPFEDSA-N 1 3 321.509 2.347 20 0 DEADHO CN(CC(=O)NCC1CC[NH+](CCCF)CC1)CC(C)(C)C ZINC001224575593 802883168 /nfs/dbraw/zinc/88/31/68/802883168.db2.gz AINRMCJJTWNUGE-UHFFFAOYSA-N 1 3 315.477 2.152 20 0 DEADHO CCN(CC)CC(=O)NCC1CC[NH+](CC2CC(C)C2)CC1 ZINC001224911646 802917270 /nfs/dbraw/zinc/91/72/70/802917270.db2.gz PUGUOFSXDZSERU-UHFFFAOYSA-N 1 3 309.498 2.203 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1CC[NH+](CC2CCCC2)CC1 ZINC001225286314 802951390 /nfs/dbraw/zinc/95/13/90/802951390.db2.gz UOWBWHPECSIQEQ-UHFFFAOYSA-N 1 3 318.465 2.279 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccns1)N(C)C ZINC001227057648 803193879 /nfs/dbraw/zinc/19/38/79/803193879.db2.gz YGZHXNVSEWMKRL-RBSFLKMASA-N 1 3 324.494 2.000 20 0 DEADHO CN(CC(=O)NC1CC[NH+](CC2CC(C)(C)C2)CC1)C1CCC1 ZINC001227832351 803285931 /nfs/dbraw/zinc/28/59/31/803285931.db2.gz HABHGGDBZCKYNQ-UHFFFAOYSA-N 1 3 321.509 2.488 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001369844822 1149267585 /nfs/dbraw/zinc/26/75/85/1149267585.db2.gz ILKACZHFZODYBG-GOSISDBHSA-N 1 3 317.477 2.499 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001369844822 1149267605 /nfs/dbraw/zinc/26/76/05/1149267605.db2.gz ILKACZHFZODYBG-GOSISDBHSA-N 1 3 317.477 2.499 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N2CCCC2)C1 ZINC001370058425 1149370976 /nfs/dbraw/zinc/37/09/76/1149370976.db2.gz DPLXBJBWTBGILZ-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N2CCCC2)C1 ZINC001370058425 1149370983 /nfs/dbraw/zinc/37/09/83/1149370983.db2.gz DPLXBJBWTBGILZ-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](F)CCN1CC[C@@H]1CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001418601017 1167835592 /nfs/dbraw/zinc/83/55/92/1167835592.db2.gz INZCCVNJBOKRNT-JKSUJKDBSA-N 1 3 313.461 2.143 20 0 DEADHO CC(C)C[NH+]1CCC2(C[C@H]2NC(=O)C2(N(C)C)CCC2)CC1 ZINC001370089079 1149384002 /nfs/dbraw/zinc/38/40/02/1149384002.db2.gz WHADRBHLSSZCFX-OAHLLOKOSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CC2CCC2)C1)N(CC)CC ZINC001419121525 1168225994 /nfs/dbraw/zinc/22/59/94/1168225994.db2.gz LRRBAPQGRXOYGU-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCC2)C1)N(CC)CC ZINC001419121525 1168226005 /nfs/dbraw/zinc/22/60/05/1168226005.db2.gz LRRBAPQGRXOYGU-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CN1CCCC[C@@H](C[NH2+]C[C@@H](O)CCOCc2ccccc2)C1 ZINC001335430822 1150414270 /nfs/dbraw/zinc/41/42/70/1150414270.db2.gz LDOOYKBXDKWMOX-OALUTQOASA-N 1 3 320.477 2.276 20 0 DEADHO CN(CC(=O)NCC[N@@H+](C)CC1CC2(CCC2)C1)C1CCC1 ZINC001420244587 1169276277 /nfs/dbraw/zinc/27/62/77/1169276277.db2.gz QDEKGZNHMNSOOK-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001368411206 1148437782 /nfs/dbraw/zinc/43/77/82/1148437782.db2.gz UVJRUNBBKLHUKJ-BRWVUGGUSA-N 1 3 309.498 2.249 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccsc3)C2)CCC1 ZINC001368480657 1148462487 /nfs/dbraw/zinc/46/24/87/1148462487.db2.gz OGXUYXXKHFUVHD-GASCZTMLSA-N 1 3 321.490 2.217 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(F)cc1C)N(C)C ZINC001368952434 1148804421 /nfs/dbraw/zinc/80/44/21/1148804421.db2.gz KPSCNLXJJPWCSL-RHSMWYFYSA-N 1 3 323.456 2.411 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1C)N(C)C ZINC001368952434 1148804422 /nfs/dbraw/zinc/80/44/22/1148804422.db2.gz KPSCNLXJJPWCSL-RHSMWYFYSA-N 1 3 323.456 2.411 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[N@H+](C)C/C=C/c1ccccc1)N(C)C ZINC001368952375 1148804196 /nfs/dbraw/zinc/80/41/96/1148804196.db2.gz KFNXFTDMSBEIGU-PZQFMBMYSA-N 1 3 317.477 2.477 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)C/C=C/c1ccccc1)N(C)C ZINC001368952375 1148804201 /nfs/dbraw/zinc/80/42/01/1148804201.db2.gz KFNXFTDMSBEIGU-PZQFMBMYSA-N 1 3 317.477 2.477 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CCCN(C/C=C\Cl)CC1)[NH+](C)C ZINC001368519305 1148475031 /nfs/dbraw/zinc/47/50/31/1148475031.db2.gz YEKFLOLDUPSNMB-XDHNQJSPSA-N 1 3 315.889 2.296 20 0 DEADHO C[C@H](NCC=C(Cl)Cl)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001368889451 1148749106 /nfs/dbraw/zinc/74/91/06/1148749106.db2.gz XASWYCCONUNZRP-QWRGUYRKSA-N 1 3 310.269 2.130 20 0 DEADHO CC[C@@H](F)C[N@@H+]1CCC[C@@H](NC(=O)CN(C)C(C)C)CC1 ZINC001368529908 1148479843 /nfs/dbraw/zinc/47/98/43/1148479843.db2.gz ZJHGJSXIQCFTGB-HUUCEWRRSA-N 1 3 301.450 2.045 20 0 DEADHO CC[C@@H](F)C[N@H+]1CCC[C@@H](NC(=O)CN(C)C(C)C)CC1 ZINC001368529908 1148479845 /nfs/dbraw/zinc/47/98/45/1148479845.db2.gz ZJHGJSXIQCFTGB-HUUCEWRRSA-N 1 3 301.450 2.045 20 0 DEADHO [NH3+]CCCCN1CCN[C@@H](c2cccc(Br)c2)C1 ZINC001235796739 1138332167 /nfs/dbraw/zinc/33/21/67/1138332167.db2.gz VESCDWZXZGUXDR-CQSZACIVSA-N 1 3 312.255 2.134 20 0 DEADHO CCCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001328766787 1148833328 /nfs/dbraw/zinc/83/33/28/1148833328.db2.gz UXVFOHQNLLBXPL-INIZCTEOSA-N 1 3 306.454 2.455 20 0 DEADHO CCCCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001328766787 1148833329 /nfs/dbraw/zinc/83/33/29/1148833329.db2.gz UXVFOHQNLLBXPL-INIZCTEOSA-N 1 3 306.454 2.455 20 0 DEADHO C[C@@H]1[C@H](C(=O)N(C)CCCN(C)CCC(F)(F)F)CC[N@@H+]1C ZINC001368544761 1148487145 /nfs/dbraw/zinc/48/71/45/1148487145.db2.gz BGYGOHJIGFORHV-CHWSQXEVSA-N 1 3 323.403 2.059 20 0 DEADHO C[C@@H]1[C@H](C(=O)N(C)CCCN(C)CCC(F)(F)F)CC[N@H+]1C ZINC001368544761 1148487148 /nfs/dbraw/zinc/48/71/48/1148487148.db2.gz BGYGOHJIGFORHV-CHWSQXEVSA-N 1 3 323.403 2.059 20 0 DEADHO CC[C@@H]1CN(C(=O)c2cccc(CC[NH+](C)C)c2)C[C@H](C)N1 ZINC001454062382 1057429561 /nfs/dbraw/zinc/42/95/61/1057429561.db2.gz JAZMKGQHYGVSME-WMLDXEAASA-N 1 3 303.450 2.003 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CNCC=C(Cl)Cl ZINC001499939504 1058389453 /nfs/dbraw/zinc/38/94/53/1058389453.db2.gz OIAGCHMWBHJCPJ-LBPRGKRZSA-N 1 3 322.280 2.228 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNCC=C(Cl)Cl ZINC001499939504 1058389464 /nfs/dbraw/zinc/38/94/64/1058389464.db2.gz OIAGCHMWBHJCPJ-LBPRGKRZSA-N 1 3 322.280 2.228 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C[NH2+]C/C=C/Cl)C1CCCC1)N(C)C ZINC001500097145 1058488068 /nfs/dbraw/zinc/48/80/68/1058488068.db2.gz QBANGNJWBJGCHD-PAVULQLHSA-N 1 3 315.889 2.344 20 0 DEADHO C[C@H](C(=O)N[C@@]1(C)CC[N@H+](CCCF)C1)N1CCCCCC1 ZINC001500265684 1058650912 /nfs/dbraw/zinc/65/09/12/1058650912.db2.gz SGAPVQQACCKTNF-WBVHZDCISA-N 1 3 313.461 2.191 20 0 DEADHO C[C@H](C(=O)N[C@@]1(C)CC[N@@H+](CCCF)C1)N1CCCCCC1 ZINC001500265684 1058650919 /nfs/dbraw/zinc/65/09/19/1058650919.db2.gz SGAPVQQACCKTNF-WBVHZDCISA-N 1 3 313.461 2.191 20 0 DEADHO CCCN1CC[C@H]([NH2+]C2CCC(C)(N3CCOCC3)CC2)C1 ZINC001462460019 1058831417 /nfs/dbraw/zinc/83/14/17/1058831417.db2.gz VPDYYNUGOKIHSA-ADKAHSJRSA-N 1 3 309.498 2.094 20 0 DEADHO CC[NH2+][C@H](CNC(=O)CN(C)C(C)C)c1ccccc1CC ZINC001501022606 1059208812 /nfs/dbraw/zinc/20/88/12/1059208812.db2.gz PWVLSFUFQADUIW-QGZVFWFLSA-N 1 3 305.466 2.356 20 0 DEADHO CN(CC(=O)N1CC[C@@H](CC[NH2+]CCCF)C1)CC(C)(C)C ZINC001501618037 1059574354 /nfs/dbraw/zinc/57/43/54/1059574354.db2.gz HMJUDSUSOBJEMZ-OAHLLOKOSA-N 1 3 315.477 2.152 20 0 DEADHO CN(CCN1CCCCC1)C(=O)C1C[NH+](C2CCCCC2)C1 ZINC001469674014 1059990123 /nfs/dbraw/zinc/99/01/23/1059990123.db2.gz GAZKAOCNGVJYQT-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC001502145058 1059993409 /nfs/dbraw/zinc/99/34/09/1059993409.db2.gz JRECXPPFHPNIKR-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC001502145058 1059993427 /nfs/dbraw/zinc/99/34/27/1059993427.db2.gz JRECXPPFHPNIKR-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CCOCC[C@H](O)CN1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001473717658 1060715500 /nfs/dbraw/zinc/71/55/00/1060715500.db2.gz YWWXSSYAOJIFEU-ROUUACIJSA-N 1 3 312.498 2.360 20 0 DEADHO CN(C(=O)NCC1([NH+](C)C)CCCCCC1)[C@@H]1CCCN(C)C1 ZINC001477331084 1061165419 /nfs/dbraw/zinc/16/54/19/1061165419.db2.gz JWCZLIPTHQLNEA-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCN(C)[C@@H]2C)C1 ZINC001477866299 1061195740 /nfs/dbraw/zinc/19/57/40/1061195740.db2.gz ABSOBMVKGLQVJN-BZUAXINKSA-N 1 3 324.513 2.279 20 0 DEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCN(C)[C@@H]2C)C1 ZINC001477866299 1061195745 /nfs/dbraw/zinc/19/57/45/1061195745.db2.gz ABSOBMVKGLQVJN-BZUAXINKSA-N 1 3 324.513 2.279 20 0 DEADHO Cc1ccc(F)c(CN[C@H]2C[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001480154400 1062399808 /nfs/dbraw/zinc/39/98/08/1062399808.db2.gz JZDKSVAXFRNOTI-WKILWMFISA-N 1 3 321.440 2.213 20 0 DEADHO C[NH+](C)CCC(=O)N1CC2(C1)CCCN(Cc1ccsc1)C2 ZINC001506866485 1062448570 /nfs/dbraw/zinc/44/85/70/1062448570.db2.gz RCFOXRUTUSYTMG-UHFFFAOYSA-N 1 3 321.490 2.124 20 0 DEADHO C[C@@H](CN(C)C(=O)C(C)(C)N1CCCCC1)[NH2+]CCC1CC1 ZINC001507074165 1062783658 /nfs/dbraw/zinc/78/36/58/1062783658.db2.gz SBVVIFGTMJQTKH-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1cccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCCN2C(C)C)c1 ZINC001480458294 1062895610 /nfs/dbraw/zinc/89/56/10/1062895610.db2.gz CHGFHWPPQHWTPI-FUHWJXTLSA-N 1 3 317.477 2.462 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+][C@H](C)c1cccc(F)c1 ZINC001480597526 1063090622 /nfs/dbraw/zinc/09/06/22/1063090622.db2.gz QNMUQNHNGIVSOY-UONOGXRCSA-N 1 3 309.429 2.321 20 0 DEADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCc2ccsc2)C[C@@H]1C ZINC001507333236 1063110006 /nfs/dbraw/zinc/11/00/06/1063110006.db2.gz QZSSIEWLKJNBHM-ZFWWWQNUSA-N 1 3 309.479 2.169 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCc2ccsc2)C[C@@H]1C ZINC001507333236 1063110023 /nfs/dbraw/zinc/11/00/23/1063110023.db2.gz QZSSIEWLKJNBHM-ZFWWWQNUSA-N 1 3 309.479 2.169 20 0 DEADHO CC1(C)CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1NCCF ZINC001507451945 1063305786 /nfs/dbraw/zinc/30/57/86/1063305786.db2.gz CRKQKSXETBBQPR-HNNXBMFYSA-N 1 3 313.461 2.049 20 0 DEADHO CC(C)N(C)CC(=O)NC1(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001508163465 1063585761 /nfs/dbraw/zinc/58/57/61/1063585761.db2.gz VDZJDOLYOGDSGS-UHFFFAOYSA-N 1 3 307.482 2.097 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001493253997 1063672160 /nfs/dbraw/zinc/67/21/60/1063672160.db2.gz UKAFGRWHULGQBO-INIZCTEOSA-N 1 3 321.440 2.106 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001493253997 1063672163 /nfs/dbraw/zinc/67/21/63/1063672163.db2.gz UKAFGRWHULGQBO-INIZCTEOSA-N 1 3 321.440 2.106 20 0 DEADHO CC(C)=CCN(CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001493370096 1063751106 /nfs/dbraw/zinc/75/11/06/1063751106.db2.gz DDGCMSZGTVJXDC-QGZVFWFLSA-N 1 3 307.482 2.406 20 0 DEADHO CC(C)=CCN(CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001493370096 1063751116 /nfs/dbraw/zinc/75/11/16/1063751116.db2.gz DDGCMSZGTVJXDC-QGZVFWFLSA-N 1 3 307.482 2.406 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001493700115 1063923519 /nfs/dbraw/zinc/92/35/19/1063923519.db2.gz PXOUJSUUCDWUTE-HNNXBMFYSA-N 1 3 311.857 2.228 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)CC[NH2+]Cc2cccc(Cl)c2)C1 ZINC001493695291 1063924344 /nfs/dbraw/zinc/92/43/44/1063924344.db2.gz PBORUPFFMVYNIS-AWEZNQCLSA-N 1 3 323.868 2.230 20 0 DEADHO CN(CCNC/C=C/Cl)C(=O)CCC[NH+]1CCCCC1 ZINC001567606829 1064275509 /nfs/dbraw/zinc/27/55/09/1064275509.db2.gz CVCBQFRJTDAOOW-SOFGYWHQSA-N 1 3 301.862 2.053 20 0 DEADHO CC(C)=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001567621629 1064285114 /nfs/dbraw/zinc/28/51/14/1064285114.db2.gz XAMXLVBUKPSWIB-RDJZCZTQSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)(C(=O)NCC1C[NH+](CC2CCC2)C1)N1CCCCC1 ZINC001494549721 1064308469 /nfs/dbraw/zinc/30/84/69/1064308469.db2.gz BKEWKEHOWXKZAP-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO CCC[NH2+]C[C@H](NC(=O)Cc1nc[nH]c1C)C1CCCCC1 ZINC001568348591 1064793773 /nfs/dbraw/zinc/79/37/73/1064793773.db2.gz IDEPWZKQLJOYEN-INIZCTEOSA-N 1 3 306.454 2.325 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1CC[NH2+]C/C=C/Cl ZINC001568400415 1064837984 /nfs/dbraw/zinc/83/79/84/1064837984.db2.gz JONJIZUQHQAPNB-PPYMECGQSA-N 1 3 315.889 2.440 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](CC[NH2+]C(C)C)C1 ZINC001495394167 1064877698 /nfs/dbraw/zinc/87/76/98/1064877698.db2.gz VYQNCAMTCUHSEH-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CC[NH2+]Cc1ccc(F)cc1 ZINC001568703270 1065063999 /nfs/dbraw/zinc/06/39/99/1065063999.db2.gz KEDBTZZEONNLDF-LBPRGKRZSA-N 1 3 318.396 2.084 20 0 DEADHO CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001568776043 1065111278 /nfs/dbraw/zinc/11/12/78/1065111278.db2.gz UOESDSQLGRLPAZ-KRWDZBQOSA-N 1 3 305.466 2.273 20 0 DEADHO CCCCC[NH+]1CC2(C1)CCN(C(=O)CN1CC[C@@H](C)C1)CC2 ZINC001495979288 1065203886 /nfs/dbraw/zinc/20/38/86/1065203886.db2.gz XFSPRPDGOLQDTH-QGZVFWFLSA-N 1 3 321.509 2.443 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC(CC[N@H+](C)CCCF)CC1 ZINC001496496462 1065512330 /nfs/dbraw/zinc/51/23/30/1065512330.db2.gz RRVCUBPJWIUYCZ-INIZCTEOSA-N 1 3 313.461 2.001 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)CCCF)CC1 ZINC001496496462 1065512351 /nfs/dbraw/zinc/51/23/51/1065512351.db2.gz RRVCUBPJWIUYCZ-INIZCTEOSA-N 1 3 313.461 2.001 20 0 DEADHO CCN(CCNC/C=C/Cl)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001497463898 1066106577 /nfs/dbraw/zinc/10/65/77/1066106577.db2.gz JFKLOGDTDATYNU-HEWZJLJBSA-N 1 3 315.889 2.440 20 0 DEADHO CCN(CCNC/C=C/Cl)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001497463898 1066106581 /nfs/dbraw/zinc/10/65/81/1066106581.db2.gz JFKLOGDTDATYNU-HEWZJLJBSA-N 1 3 315.889 2.440 20 0 DEADHO CC[C@H](C(=O)NC/C=C/C[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001497613448 1066190482 /nfs/dbraw/zinc/19/04/82/1066190482.db2.gz ZMROJMHHVNLWSL-DKRLNXSXSA-N 1 3 321.440 2.236 20 0 DEADHO CC(C)(CNC(=O)[C@@H]1CNCc2ccccc21)[NH+]1CCCCC1 ZINC001575319463 1066263228 /nfs/dbraw/zinc/26/32/28/1066263228.db2.gz BIXUOZCBRXBUDF-QGZVFWFLSA-N 1 3 315.461 2.254 20 0 DEADHO C[C@H](CCNCc1nc2c(s1)CNCC2)[NH+]1CCCCC1 ZINC001575967751 1066467950 /nfs/dbraw/zinc/46/79/50/1066467950.db2.gz QAFHSBJVOGKVSL-CYBMUJFWSA-N 1 3 308.495 2.143 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCCN(CCC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001576117432 1066497121 /nfs/dbraw/zinc/49/71/21/1066497121.db2.gz OKTRZLWXDNUTDD-ZFWWWQNUSA-N 1 3 311.470 2.303 20 0 DEADHO C[C@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@H](c1ccccc1)N(C)C ZINC001576219193 1066525497 /nfs/dbraw/zinc/52/54/97/1066525497.db2.gz YXFTZMPTIHVFPI-RKTXRCNFSA-N 1 3 303.450 2.312 20 0 DEADHO CC1(C)CCN(C(=O)[C@@H]2CNCc3ccccc32)CC(C)(C)[NH2+]1 ZINC001576439315 1066607046 /nfs/dbraw/zinc/60/70/46/1066607046.db2.gz AQPBNKIFVCJORY-MRXNPFEDSA-N 1 3 315.461 2.253 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC2(CNC(=O)OC(C)(C)C)CCC2)CCN1 ZINC001576623696 1066648003 /nfs/dbraw/zinc/64/80/03/1066648003.db2.gz MEIQHHIVXBKJEH-KGLIPLIRSA-N 1 3 311.470 2.412 20 0 DEADHO C[C@H]1CCN(C(=O)[C@H]2CCC[C@H]2[NH3+])CCN1Cc1ccccc1 ZINC001576724843 1066671645 /nfs/dbraw/zinc/67/16/45/1066671645.db2.gz XKYNCTHTGVYTBJ-RYQLBKOJSA-N 1 3 315.461 2.237 20 0 DEADHO C[C@H](CN(C)Cc1cccc(Cl)c1)NC(=O)CC[NH+](C)C ZINC001498394109 1066677597 /nfs/dbraw/zinc/67/75/97/1066677597.db2.gz JMWDHQYFYNHCNF-CYBMUJFWSA-N 1 3 311.857 2.228 20 0 DEADHO C[C@@H]1CN(C(=O)[C@H](C[NH3+])c2ccccc2)CCN1C1CCCC1 ZINC001576760511 1066681570 /nfs/dbraw/zinc/68/15/70/1066681570.db2.gz RGYNGKSDJSZVEK-CRAIPNDOSA-N 1 3 315.461 2.204 20 0 DEADHO CCCN(C(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1)[C@@H]1CCN(C)C1 ZINC001577485896 1066855811 /nfs/dbraw/zinc/85/58/11/1066855811.db2.gz ZIQNYTUUPRKGHI-DJIMGWMZSA-N 1 3 303.450 2.265 20 0 DEADHO CCCN(C(=O)NCC[NH2+]C1CCCCCC1)[C@@H]1CCN(C)C1 ZINC001577488865 1066856806 /nfs/dbraw/zinc/85/68/06/1066856806.db2.gz KVJSGKNNIPRUIR-QGZVFWFLSA-N 1 3 324.513 2.425 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C[NH2+]CC1=CCCCC1)C1CC1 ZINC001498862386 1066926495 /nfs/dbraw/zinc/92/64/95/1066926495.db2.gz OSKGJVAUHYGNQN-KRWDZBQOSA-N 1 3 316.449 2.245 20 0 DEADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCN1[C@@H]1CCc2ccccc21 ZINC001499048000 1067054248 /nfs/dbraw/zinc/05/42/48/1067054248.db2.gz NIYAPXJXUHTPPM-FUHWJXTLSA-N 1 3 315.461 2.206 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN1CC1CC2(CCC2)C1 ZINC001499093358 1067086351 /nfs/dbraw/zinc/08/63/51/1067086351.db2.gz PKOFQRBEBZLSME-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN1CC1CC2(CCC2)C1 ZINC001499093358 1067086365 /nfs/dbraw/zinc/08/63/65/1067086365.db2.gz PKOFQRBEBZLSME-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCN2CCCC2CCC2)C1 ZINC001499099849 1067094150 /nfs/dbraw/zinc/09/41/50/1067094150.db2.gz IAWKTHKDKMYBRM-IAGOWNOFSA-N 1 3 307.482 2.099 20 0 DEADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CCN2CCCC2CCC2)C1 ZINC001499099849 1067094167 /nfs/dbraw/zinc/09/41/67/1067094167.db2.gz IAWKTHKDKMYBRM-IAGOWNOFSA-N 1 3 307.482 2.099 20 0 DEADHO CN(C)c1cccc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)n1 ZINC001578427015 1067098957 /nfs/dbraw/zinc/09/89/57/1067098957.db2.gz LEQNLSYSXGWBLU-USXIJHARSA-N 1 3 318.465 2.008 20 0 DEADHO CN(CCCN(C)C(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)Cc1ccco1 ZINC001578466400 1067111894 /nfs/dbraw/zinc/11/18/94/1067111894.db2.gz KSUXDKXETJVYNH-IAGOWNOFSA-N 1 3 319.449 2.091 20 0 DEADHO C[NH2+]CC1CCN(C[C@@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC001578664301 1067147079 /nfs/dbraw/zinc/14/70/79/1067147079.db2.gz PYKDPYSZJWLOPX-MRXNPFEDSA-N 1 3 309.454 2.071 20 0 DEADHO C[NH2+]CCOCCNCc1c(C)nn(-c2ccccc2C)c1C ZINC001578710181 1067153446 /nfs/dbraw/zinc/15/34/46/1067153446.db2.gz YWEPDRIMPDNLNG-UHFFFAOYSA-N 1 3 316.449 2.123 20 0 DEADHO C[NH2+]Cc1ccccc1CNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC001578739633 1067158224 /nfs/dbraw/zinc/15/82/24/1067158224.db2.gz COCMZHFZROTTQF-INIZCTEOSA-N 1 3 318.465 2.078 20 0 DEADHO C[NH2+]Cc1ccc(NC2CCN(CCCC(=O)OC)CC2)cc1 ZINC001578740533 1067159517 /nfs/dbraw/zinc/15/95/17/1067159517.db2.gz RZGSHCAHVNTACC-UHFFFAOYSA-N 1 3 319.449 2.236 20 0 DEADHO CCc1ccc(C[NH2+]C2(CNC(=O)[C@@H](CC)N(C)C)CC2)cc1 ZINC001499263672 1067161918 /nfs/dbraw/zinc/16/19/18/1067161918.db2.gz LFEKUEBHKZBZRI-QGZVFWFLSA-N 1 3 317.477 2.328 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CCCF ZINC001483392681 1078503430 /nfs/dbraw/zinc/50/34/30/1078503430.db2.gz CDIMLNAAQMRWPE-CABCVRRESA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CCCF ZINC001483392681 1078503433 /nfs/dbraw/zinc/50/34/33/1078503433.db2.gz CDIMLNAAQMRWPE-CABCVRRESA-N 1 3 301.450 2.045 20 0 DEADHO CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C)C1 ZINC001499849085 1067360977 /nfs/dbraw/zinc/36/09/77/1067360977.db2.gz RLTQVSIIMDNPMP-ZYDHHDLOSA-N 1 3 304.438 2.278 20 0 DEADHO Cc1ccc([C@H](NCC[C@H]2CC[NH2+]C2)[C@H](C)S(C)(=O)=O)cc1 ZINC001579671795 1067402902 /nfs/dbraw/zinc/40/29/02/1067402902.db2.gz OOVBKMAKJKMQRF-ZMSDIMECSA-N 1 3 324.490 2.058 20 0 DEADHO Cc1scc(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])c1C ZINC001579936946 1067457738 /nfs/dbraw/zinc/45/77/38/1067457738.db2.gz FYMHQTUMLHSTLA-OAHLLOKOSA-N 1 3 309.479 2.184 20 0 DEADHO CC(C)=CC[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001483581017 1078610639 /nfs/dbraw/zinc/61/06/39/1078610639.db2.gz WWRYFFQJUVOMBL-MRXNPFEDSA-N 1 3 307.482 2.311 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CCCF)CN1C(=O)c1cccc(CN(C)C)c1 ZINC001571493211 1068352165 /nfs/dbraw/zinc/35/21/65/1068352165.db2.gz OCQVIHDIKLNJCH-RHSMWYFYSA-N 1 3 321.440 2.300 20 0 DEADHO CC/C=C\CC[N@@H+]1CC[C@@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001267306061 1078753283 /nfs/dbraw/zinc/75/32/83/1078753283.db2.gz QQCAMZNWJQAJML-XVWMLYKFSA-N 1 3 304.438 2.055 20 0 DEADHO CC/C=C\CC[N@H+]1CC[C@@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001267306061 1078753287 /nfs/dbraw/zinc/75/32/87/1078753287.db2.gz QQCAMZNWJQAJML-XVWMLYKFSA-N 1 3 304.438 2.055 20 0 DEADHO CC(C)Cc1ccc([C@H](CNC(=O)[C@@H]2CC[NH2+]C2)N(C)C)cc1 ZINC001573518482 1069027737 /nfs/dbraw/zinc/02/77/37/1069027737.db2.gz MEKLEGPWSYGKTB-MSOLQXFVSA-N 1 3 317.477 2.214 20 0 DEADHO CCc1cccc(C[NH2+]CCN(C)C(=O)CN2CC[C@H](C)C2)c1 ZINC001267429335 1078846375 /nfs/dbraw/zinc/84/63/75/1078846375.db2.gz XTXGASNQXBDBNC-INIZCTEOSA-N 1 3 317.477 2.139 20 0 DEADHO CN(C)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CCC(C)(C)C ZINC001272495139 1078924931 /nfs/dbraw/zinc/92/49/31/1078924931.db2.gz HNOVSSWOLILYHN-GOSISDBHSA-N 1 3 309.498 2.441 20 0 DEADHO CN(C)CCN1C[C@]2(CC1=O)CCCC[N@H+]2CCC(C)(C)C ZINC001272495139 1078924941 /nfs/dbraw/zinc/92/49/41/1078924941.db2.gz HNOVSSWOLILYHN-GOSISDBHSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@H]1C[C@H]2CC[C@H](C(=O)N(CCN(C)C)C3CCCC3)C[N@@H+]2C1 ZINC001548646953 1072758055 /nfs/dbraw/zinc/75/80/55/1072758055.db2.gz LJLKXNQMNOWQTJ-SOLBZPMBSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H]1C[C@H]2CC[C@H](C(=O)N(CCN(C)C)C3CCCC3)C[N@H+]2C1 ZINC001548646953 1072758063 /nfs/dbraw/zinc/75/80/63/1072758063.db2.gz LJLKXNQMNOWQTJ-SOLBZPMBSA-N 1 3 321.509 2.440 20 0 DEADHO CCCN(C(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@@H+]2C1)[C@@H]1CCN(C)C1 ZINC001548724426 1072843348 /nfs/dbraw/zinc/84/33/48/1072843348.db2.gz LYUJSMPEJDYTJM-YLFCFFPRSA-N 1 3 307.482 2.050 20 0 DEADHO CCCN(C(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@H+]2C1)[C@@H]1CCN(C)C1 ZINC001548724426 1072843355 /nfs/dbraw/zinc/84/33/55/1072843355.db2.gz LYUJSMPEJDYTJM-YLFCFFPRSA-N 1 3 307.482 2.050 20 0 DEADHO C[C@@H]1C[C@H](NC[C@@H]2C[C@H](F)CN2Cc2cccs2)CC[NH2+]1 ZINC001549039193 1072992074 /nfs/dbraw/zinc/99/20/74/1072992074.db2.gz XELWDBVBWFXKDY-BARDWOONSA-N 1 3 311.470 2.391 20 0 DEADHO COc1cc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ncc1C ZINC001549284313 1073111646 /nfs/dbraw/zinc/11/16/46/1073111646.db2.gz RDGBHIMKPLJYDN-MPGHIAIKSA-N 1 3 319.449 2.117 20 0 DEADHO c1n[nH]cc1[C@@H]1OCCC[C@@H]1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001549549889 1073189577 /nfs/dbraw/zinc/18/95/77/1073189577.db2.gz RIKIDLZJQZVBGU-XLNGHYISSA-N 1 3 304.438 2.094 20 0 DEADHO c1n[nH]cc1[C@@H]1OCCC[C@@H]1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001549549889 1073189582 /nfs/dbraw/zinc/18/95/82/1073189582.db2.gz RIKIDLZJQZVBGU-XLNGHYISSA-N 1 3 304.438 2.094 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CCC2)C1 ZINC001272652167 1079049050 /nfs/dbraw/zinc/04/90/50/1079049050.db2.gz JUKAUALKUHPGSG-MSOLQXFVSA-N 1 3 321.509 2.489 20 0 DEADHO Cc1cccc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@H]3C)C2)c1 ZINC001549882279 1073312088 /nfs/dbraw/zinc/31/20/88/1073312088.db2.gz TXSDSHHPHDOKAE-RYQLBKOJSA-N 1 3 315.461 2.026 20 0 DEADHO Cc1cccc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@H]3C)C2)c1 ZINC001549882279 1073312089 /nfs/dbraw/zinc/31/20/89/1073312089.db2.gz TXSDSHHPHDOKAE-RYQLBKOJSA-N 1 3 315.461 2.026 20 0 DEADHO CN1CC[NH+]([C@@H]2CCN(c3ccnc4ccsc43)C2)CC1 ZINC001549906370 1073327964 /nfs/dbraw/zinc/32/79/64/1073327964.db2.gz SGFHSDYCFUZLKG-CYBMUJFWSA-N 1 3 302.447 2.122 20 0 DEADHO CC[C@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001646125736 1079110695 /nfs/dbraw/zinc/11/06/95/1079110695.db2.gz BRFSVBIDIIAEFV-INIZCTEOSA-N 1 3 307.413 2.077 20 0 DEADHO CN(C)Cc1cnc(CN2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)s1 ZINC001551258548 1074137252 /nfs/dbraw/zinc/13/72/52/1074137252.db2.gz DIXMNWGLNDTMBM-KKUMJFAQSA-N 1 3 322.522 2.367 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC001551422670 1074212267 /nfs/dbraw/zinc/21/22/67/1074212267.db2.gz LVJBJGKZFHPJIX-BRWVUGGUSA-N 1 3 321.509 2.440 20 0 DEADHO C[NH2+][C@H](C)CCNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001649837119 1079251627 /nfs/dbraw/zinc/25/16/27/1079251627.db2.gz MHEIDHVTVAMIGN-INMHGKMJSA-N 1 3 318.465 2.119 20 0 DEADHO Cc1ccc(CNC(=O)CN2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001649848928 1079262881 /nfs/dbraw/zinc/26/28/81/1079262881.db2.gz IKOSNTNQTWJBDR-UHFFFAOYSA-N 1 3 315.461 2.077 20 0 DEADHO CC(C)C[C@@H](C)N(C)C(=O)CN1CCCC2(CC[NH2+]CC2)C1 ZINC001649849680 1079263061 /nfs/dbraw/zinc/26/30/61/1079263061.db2.gz OKCFRKJHTDZJFS-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CCOC(=O)c1cc(CN2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)on1 ZINC001646376531 1074433209 /nfs/dbraw/zinc/43/32/09/1074433209.db2.gz HYJNBLYASAWPPU-IHRRRGAJSA-N 1 3 321.421 2.013 20 0 DEADHO O=C([C@H]1C[C@@H]1C1CC[NH2+]CC1)N1CCN(C2CCCCC2)CC1 ZINC001552155989 1074478181 /nfs/dbraw/zinc/47/81/81/1074478181.db2.gz XXBWYVGZDLUILH-MSOLQXFVSA-N 1 3 319.493 2.099 20 0 DEADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]C1 ZINC001552416277 1074571883 /nfs/dbraw/zinc/57/18/83/1074571883.db2.gz MIOYTOSFUTXUBB-QZTJIDSGSA-N 1 3 315.461 2.157 20 0 DEADHO CCn1cc([C@@H]2OCC[C@@H]2C[NH+]2CCC(N(C)C)CC2)cn1 ZINC001552515147 1074590915 /nfs/dbraw/zinc/59/09/15/1074590915.db2.gz JMBVDPCGUVBUSJ-RHSMWYFYSA-N 1 3 306.454 2.007 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)C[NH2+]C(C)(C)C)N(C)C)cc1 ZINC001647076933 1074782552 /nfs/dbraw/zinc/78/25/52/1074782552.db2.gz NDVDACQNKGXFRB-MRXNPFEDSA-N 1 3 305.466 2.356 20 0 DEADHO Cc1ccc(CN(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)cc1 ZINC001481196507 1079323827 /nfs/dbraw/zinc/32/38/27/1079323827.db2.gz IEZHISRWDOFCCX-QGZVFWFLSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccc(CN(CCNC(=O)[C@@H]2CC[N@H+](C)C2)C2CC2)cc1 ZINC001481196507 1079323835 /nfs/dbraw/zinc/32/38/35/1079323835.db2.gz IEZHISRWDOFCCX-QGZVFWFLSA-N 1 3 315.461 2.027 20 0 DEADHO CO[C@H]1CCC[C@H]1[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001647548644 1074944885 /nfs/dbraw/zinc/94/48/85/1074944885.db2.gz VQIQHUXBBHLTPC-MOPGFXCFSA-N 1 3 317.477 2.091 20 0 DEADHO CC(C)[C@H](O)CN1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001648436891 1074998958 /nfs/dbraw/zinc/99/89/58/1074998958.db2.gz HITKOWCXHYBDOL-LJQANCHMSA-N 1 3 320.477 2.228 20 0 DEADHO CC(C)[C@H](O)CN1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001648436891 1074998960 /nfs/dbraw/zinc/99/89/60/1074998960.db2.gz HITKOWCXHYBDOL-LJQANCHMSA-N 1 3 320.477 2.228 20 0 DEADHO COCCC[NH+]1CCC(NCc2cccc3c[nH]nc32)CC1 ZINC001560303411 1075136228 /nfs/dbraw/zinc/13/62/28/1075136228.db2.gz KGPLNAJZZFXLSB-UHFFFAOYSA-N 1 3 302.422 2.153 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC(CC[NH2+]CCCF)CC1)N(C)C ZINC001568092785 1075155652 /nfs/dbraw/zinc/15/56/52/1075155652.db2.gz ZRPJFAPGQPKCOU-MRXNPFEDSA-N 1 3 315.477 2.151 20 0 DEADHO C[C@H]([NH2+]CCN(C)C(=O)CN(C)C1CCC1)c1ccccc1 ZINC001481240268 1079452017 /nfs/dbraw/zinc/45/20/17/1079452017.db2.gz BPANRQLCLJECHU-HNNXBMFYSA-N 1 3 303.450 2.280 20 0 DEADHO CC(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001368645236 1148547909 /nfs/dbraw/zinc/54/79/09/1148547909.db2.gz YEDPUMQMXSVRLM-BBWFWOEESA-N 1 3 311.514 2.493 20 0 DEADHO c1cc(O[C@H]2CCOC2)ccc1CN1CC2(C1)CC[NH2+]CC2 ZINC001580890367 1076016723 /nfs/dbraw/zinc/01/67/23/1076016723.db2.gz JDFRBDUTTLQKPK-KRWDZBQOSA-N 1 3 302.418 2.040 20 0 DEADHO c1cc(O[C@@H]2CCOC2)ccc1CN1CC2(C1)CC[NH2+]CC2 ZINC001580890368 1076016766 /nfs/dbraw/zinc/01/67/66/1076016766.db2.gz JDFRBDUTTLQKPK-QGZVFWFLSA-N 1 3 302.418 2.040 20 0 DEADHO O=C(N1CCN(C2CCCCC2)CC1)C1(C2CC[NH2+]CC2)CC1 ZINC001650346227 1079546024 /nfs/dbraw/zinc/54/60/24/1079546024.db2.gz NUNKCSKIELKCIX-UHFFFAOYSA-N 1 3 319.493 2.243 20 0 DEADHO CCCC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H](C)C1 ZINC001671250393 1079615893 /nfs/dbraw/zinc/61/58/93/1079615893.db2.gz BUTYYBGHHPJUCP-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCCN(C/C=C/Cl)CC2)CC1 ZINC001484722156 1079757220 /nfs/dbraw/zinc/75/72/20/1079757220.db2.gz FMYKKUWEPUZSNA-CEOUIICOSA-N 1 3 313.873 2.051 20 0 DEADHO C[NH+](C)CC1(O)CCN(Cc2ccc([Si](C)(C)C)cc2)CC1 ZINC001654384308 1079963205 /nfs/dbraw/zinc/96/32/05/1079963205.db2.gz OIYIQJNRUSLZGC-UHFFFAOYSA-N 1 3 320.553 2.120 20 0 DEADHO C[C@@H]([NH2+]Cc1ccccc1)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001485157066 1080029157 /nfs/dbraw/zinc/02/91/57/1080029157.db2.gz QWVJCIAAEAQVJP-CABCVRRESA-N 1 3 303.450 2.154 20 0 DEADHO CCCCCCN1CC[C@H]1CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001656103150 1080045699 /nfs/dbraw/zinc/04/56/99/1080045699.db2.gz XPMBNFNVQBISDQ-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO CCCCCCN1CC[C@H]1CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001656103150 1080045709 /nfs/dbraw/zinc/04/57/09/1080045709.db2.gz XPMBNFNVQBISDQ-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+]CCc1ccccc1 ZINC001268099129 1080071372 /nfs/dbraw/zinc/07/13/72/1080071372.db2.gz KJLSPNOPHUHKCI-MRXNPFEDSA-N 1 3 305.466 2.006 20 0 DEADHO CC[NH+]1CCC(CCNCc2c(Cl)nc(OC)n2C)CC1 ZINC001656614034 1080106693 /nfs/dbraw/zinc/10/66/93/1080106693.db2.gz BWBJWYBPZIARLE-UHFFFAOYSA-N 1 3 314.861 2.294 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC12CC[NH+](CC=C(C)C)CC2 ZINC001661077708 1080438857 /nfs/dbraw/zinc/43/88/57/1080438857.db2.gz GXJZKYKHVXOLLC-MRXNPFEDSA-N 1 3 307.482 2.265 20 0 DEADHO CCN(CC[NH2+]CC1CC2(CCC2)C1)C(=O)[C@H]1CCCN1C ZINC001268438517 1080466713 /nfs/dbraw/zinc/46/67/13/1080466713.db2.gz JJNMWJIVQSAXRS-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]([NH2+]CCC(C)(C)C)C(C)C ZINC001496626513 1080495133 /nfs/dbraw/zinc/49/51/33/1080495133.db2.gz DPEZBHXQDAQUBZ-HNNXBMFYSA-N 1 3 308.470 2.427 20 0 DEADHO CC[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]C/C=C\Cl ZINC001481811590 1080525553 /nfs/dbraw/zinc/52/55/53/1080525553.db2.gz BDSMMRUNDAYHTK-QIAWRQBBSA-N 1 3 315.889 2.488 20 0 DEADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C[NH2+]CCF ZINC001107029399 1080538927 /nfs/dbraw/zinc/53/89/27/1080538927.db2.gz SMCUHBWJLMYXQM-RHSMWYFYSA-N 1 3 321.440 2.015 20 0 DEADHO CCN(CC[NH2+]CCc1cccs1)C(=O)CN1CC[C@@H](C)C1 ZINC001268479926 1080595000 /nfs/dbraw/zinc/59/50/00/1080595000.db2.gz XVAYEUUOHVDVBI-OAHLLOKOSA-N 1 3 323.506 2.071 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+]CCC(C)(C)C)C2)CCC1 ZINC001662641182 1080626677 /nfs/dbraw/zinc/62/66/77/1080626677.db2.gz PGVDULMHBBXNIS-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001482020845 1080695893 /nfs/dbraw/zinc/69/58/93/1080695893.db2.gz LYILPDXMVQHZKO-YYIAUSFCSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@@H](C(=O)NCCC[C@H]1CCC[N@@H+]1CC1CCC1)N(C)C ZINC001663105264 1080700744 /nfs/dbraw/zinc/70/07/44/1080700744.db2.gz SELUQVALKPPINP-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)NCCC[C@H]1CCC[N@H+]1CC1CCC1)N(C)C ZINC001663105264 1080700752 /nfs/dbraw/zinc/70/07/52/1080700752.db2.gz SELUQVALKPPINP-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO C[NH+](C)CC1(C(=O)NCCN(CC2=CCCCC2)C2CC2)CC1 ZINC001663748918 1080812363 /nfs/dbraw/zinc/81/23/63/1080812363.db2.gz HANRJWVOKUDYFN-UHFFFAOYSA-N 1 3 319.493 2.409 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]C[C@@H](C)CNC(=O)CN(C)C(C)C ZINC001482173361 1080881136 /nfs/dbraw/zinc/88/11/36/1080881136.db2.gz JYGKZTFQQNMNTQ-CQSZACIVSA-N 1 3 323.456 2.316 20 0 DEADHO CC(C)N(C)CC(=O)NC/C=C/C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001268629967 1080904390 /nfs/dbraw/zinc/90/43/90/1080904390.db2.gz BPYPQTRCSMYNAW-NNTXTVRGSA-N 1 3 317.424 2.024 20 0 DEADHO CC(C)N(C)CC(=O)NC/C=C/C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001268629966 1080904493 /nfs/dbraw/zinc/90/44/93/1080904493.db2.gz BPYPQTRCSMYNAW-ISZGNANSSA-N 1 3 317.424 2.024 20 0 DEADHO C[C@H](C[NH2+]C/C=C/Cl)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001268661667 1080921988 /nfs/dbraw/zinc/92/19/88/1080921988.db2.gz DSTLZWGZMXCKEW-VQOXYXNASA-N 1 3 319.852 2.046 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]C/C=C/c1ccccc1)N(C)C ZINC001268711710 1080945838 /nfs/dbraw/zinc/94/58/38/1080945838.db2.gz RPRXPIVOQWJGTF-FMUPAYBXSA-N 1 3 303.450 2.134 20 0 DEADHO CN(CCC[NH2+]C/C=C\c1ccccc1)C(=O)Cc1c[nH]cn1 ZINC001268861336 1081022807 /nfs/dbraw/zinc/02/28/07/1081022807.db2.gz TXDRMXDTPHDQIJ-UITAMQMPSA-N 1 3 312.417 2.104 20 0 DEADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+]CCc1cccs1 ZINC001667058734 1081207319 /nfs/dbraw/zinc/20/73/19/1081207319.db2.gz ITZAZOXRBRDLCA-CQSZACIVSA-N 1 3 311.495 2.067 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1[NH2+]CCCF ZINC001667198163 1081223599 /nfs/dbraw/zinc/22/35/99/1081223599.db2.gz NNRXFLSEDVXSEN-HUUCEWRRSA-N 1 3 315.477 2.151 20 0 DEADHO CN(CC(=O)N[C@H]1CC[C@H]([NH2+]CCCF)CC1)CC(C)(C)C ZINC001270024814 1081430324 /nfs/dbraw/zinc/43/03/24/1081430324.db2.gz LSTRPSTWLFLOMO-SHTZXODSSA-N 1 3 315.477 2.341 20 0 DEADHO CC[C@H](C(=O)NC/C=C/C[NH2+]C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001669145446 1081432120 /nfs/dbraw/zinc/43/21/20/1081432120.db2.gz LVENIBSPLDSGKQ-QAMKJQMISA-N 1 3 317.424 2.024 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]C/C=C\c1ccccc1)N(C)C ZINC001669450886 1081451252 /nfs/dbraw/zinc/45/12/52/1081451252.db2.gz RWYSXYLAEGUQKG-IBDJODRUSA-N 1 3 317.477 2.380 20 0 DEADHO Cc1ccc(C)c(C[NH2+]CCCN(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001670042273 1081492074 /nfs/dbraw/zinc/49/20/74/1081492074.db2.gz WOWFJTTVANIPQJ-SFHVURJKSA-N 1 3 317.477 2.336 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001270315949 1081499765 /nfs/dbraw/zinc/49/97/65/1081499765.db2.gz KWPGPVOEOLNPMY-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CCC(CC)CN1CC(N(CC)C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000951750242 1081579428 /nfs/dbraw/zinc/57/94/28/1081579428.db2.gz VFTXIWFVOJNJPB-PBHICJAKSA-N 1 3 309.498 2.153 20 0 DEADHO CCC(CC)CN1CC(N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000951750242 1081579432 /nfs/dbraw/zinc/57/94/32/1081579432.db2.gz VFTXIWFVOJNJPB-PBHICJAKSA-N 1 3 309.498 2.153 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CCCCCF)CCN1C(=O)CN1CCCC1 ZINC001671256851 1081588903 /nfs/dbraw/zinc/58/89/03/1081588903.db2.gz LKKQYOOMAMAOBL-JKSUJKDBSA-N 1 3 313.461 2.191 20 0 DEADHO C[C@H](C[NH2+]CCc1cccs1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001270985058 1081864905 /nfs/dbraw/zinc/86/49/05/1081864905.db2.gz DEUODWWZTAHGNJ-CQSZACIVSA-N 1 3 323.506 2.211 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC[C@H](C)F)N(C)C ZINC001674396378 1081866005 /nfs/dbraw/zinc/86/60/05/1081866005.db2.gz IQPNBHNIEVXJCH-KKUMJFAQSA-N 1 3 301.450 2.045 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)C1=CCC[NH2+]CC1 ZINC001648967045 1081961705 /nfs/dbraw/zinc/96/17/05/1081961705.db2.gz ONTQQIMZCWRJQL-UHFFFAOYSA-N 1 3 303.406 2.005 20 0 DEADHO CCCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](CC)N(C)C)CC1 ZINC001266379481 1082008535 /nfs/dbraw/zinc/00/85/35/1082008535.db2.gz IENARKLQTUKJLN-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CC1CCC1 ZINC001271493649 1082061992 /nfs/dbraw/zinc/06/19/92/1082061992.db2.gz BZVPSTGYBDJRQP-SJORKVTESA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H](CC[NH2+]CC1=CCCCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001482870449 1082538363 /nfs/dbraw/zinc/53/83/63/1082538363.db2.gz DIXWISBLKKSZGQ-HZPDHXFCSA-N 1 3 307.482 2.313 20 0 DEADHO C[C@@H](CC[NH2+]Cc1cccnc1)NC(=O)CN(C)CC(C)(C)C ZINC001482874601 1082539832 /nfs/dbraw/zinc/53/98/32/1082539832.db2.gz JLKTYNYTWWSGFW-HNNXBMFYSA-N 1 3 320.481 2.044 20 0 DEADHO CC[C@@H](C(=O)NC/C=C\C[NH2+][C@H](C)c1ccccc1)N(C)C ZINC001483062136 1082680761 /nfs/dbraw/zinc/68/07/61/1082680761.db2.gz ZNLIZQAAWPJRAH-GUKXCFJFSA-N 1 3 303.450 2.350 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1)N(C)C ZINC001483167791 1082788211 /nfs/dbraw/zinc/78/82/11/1082788211.db2.gz ZSKUEMIRBRCBSP-WWGRRREGSA-N 1 3 309.429 2.321 20 0 DEADHO CC(C)(C(=O)N[C@H]1CCC[C@H]1C[NH2+]CCF)N1CCCCC1 ZINC001272261928 1082843226 /nfs/dbraw/zinc/84/32/26/1082843226.db2.gz MBEPAPKMTKMAAX-GJZGRUSLSA-N 1 3 313.461 2.095 20 0 DEADHO CC[C@H](C)C[NH2+]CC(C)(C)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001409448153 1082895498 /nfs/dbraw/zinc/89/54/98/1082895498.db2.gz ODKXMZKACHQMGE-HOTGVXAUSA-N 1 3 311.514 2.449 20 0 DEADHO CC[C@@H](C)C[NH2+]CC(C)(C)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001409448182 1082895541 /nfs/dbraw/zinc/89/55/41/1082895541.db2.gz ODKXMZKACHQMGE-HZPDHXFCSA-N 1 3 311.514 2.449 20 0 DEADHO C[C@H](F)CC[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001409587697 1082970297 /nfs/dbraw/zinc/97/02/97/1082970297.db2.gz XXXDJGHXFYYPPF-GJZGRUSLSA-N 1 3 315.477 2.436 20 0 DEADHO C[C@H](F)CC[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001409587697 1082970305 /nfs/dbraw/zinc/97/03/05/1082970305.db2.gz XXXDJGHXFYYPPF-GJZGRUSLSA-N 1 3 315.477 2.436 20 0 DEADHO CC(C)C[N@H+](C)[C@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001409617954 1082988595 /nfs/dbraw/zinc/98/85/95/1082988595.db2.gz NOAHQLNSXSKUTP-PBHICJAKSA-N 1 3 315.477 2.291 20 0 DEADHO CC(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001409617954 1082988598 /nfs/dbraw/zinc/98/85/98/1082988598.db2.gz NOAHQLNSXSKUTP-PBHICJAKSA-N 1 3 315.477 2.291 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)c1cccc(C)c1)N(C)C ZINC001483267408 1083065222 /nfs/dbraw/zinc/06/52/22/1083065222.db2.gz KAWLRQJWILLJFB-UXLLHSPISA-N 1 3 305.466 2.491 20 0 DEADHO CN(C)C1(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC2CC2)CC3)CCC1 ZINC001107436620 1083393719 /nfs/dbraw/zinc/39/37/19/1083393719.db2.gz GOGWXTUQPLKFAX-SJLPKXTDSA-N 1 3 319.493 2.242 20 0 DEADHO CN(C)C1(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC2CC2)CC3)CCC1 ZINC001107436620 1083393727 /nfs/dbraw/zinc/39/37/27/1083393727.db2.gz GOGWXTUQPLKFAX-SJLPKXTDSA-N 1 3 319.493 2.242 20 0 DEADHO CN(C)CC[N@@H+]1CCC2(CN(CC3(c4ccccc4)CC3)C2)C1 ZINC001276424152 1083425146 /nfs/dbraw/zinc/42/51/46/1083425146.db2.gz IFJORFQGZKDYAA-UHFFFAOYSA-N 1 3 313.489 2.288 20 0 DEADHO CN(C)CC[N@H+]1CCC2(CN(CC3(c4ccccc4)CC3)C2)C1 ZINC001276424152 1083425152 /nfs/dbraw/zinc/42/51/52/1083425152.db2.gz IFJORFQGZKDYAA-UHFFFAOYSA-N 1 3 313.489 2.288 20 0 DEADHO Cc1cccc(F)c1CN1CC[C@H]2[C@@H]1CC[N@H+]2CCN(C)C ZINC001276692977 1083551135 /nfs/dbraw/zinc/55/11/35/1083551135.db2.gz XQQIAEGMKFQXTL-ROUUACIJSA-N 1 3 305.441 2.344 20 0 DEADHO Cc1cccc(F)c1CN1CC[C@H]2[C@@H]1CC[N@@H+]2CCN(C)C ZINC001276692977 1083551145 /nfs/dbraw/zinc/55/11/45/1083551145.db2.gz XQQIAEGMKFQXTL-ROUUACIJSA-N 1 3 305.441 2.344 20 0 DEADHO CCCCCCN1CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001276930502 1083685536 /nfs/dbraw/zinc/68/55/36/1083685536.db2.gz GWTBQVVEYXDEHF-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO Cc1cccc(Cl)c1CN[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001490924765 1083955568 /nfs/dbraw/zinc/95/55/68/1083955568.db2.gz MUBNBADAWZERSG-HDJSIYSDSA-N 1 3 323.868 2.337 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)[C@@H](C[NH2+]C/C=C\Cl)C1CC1)N(C)C ZINC001277662801 1084081920 /nfs/dbraw/zinc/08/19/20/1084081920.db2.gz OICVIHNZSWVJLL-MYEIUBSTSA-N 1 3 315.889 2.152 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001491190867 1084137852 /nfs/dbraw/zinc/13/78/52/1084137852.db2.gz OWSGYKOLUIQPRM-CYBMUJFWSA-N 1 3 323.403 2.107 20 0 DEADHO Cc1csc(CN2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)c1 ZINC001272871092 1084398107 /nfs/dbraw/zinc/39/81/07/1084398107.db2.gz ADXIBAVWUVFLRA-KRWDZBQOSA-N 1 3 321.490 2.185 20 0 DEADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CCC1=CCCCC1 ZINC001277946444 1084433570 /nfs/dbraw/zinc/43/35/70/1084433570.db2.gz WBBYTSYWLVLTNL-AWEZNQCLSA-N 1 3 304.438 2.279 20 0 DEADHO [NH3+]CCCCN1CCO[C@]2(CCCN(c3ccccc3)C2)C1 ZINC001235532969 1084456639 /nfs/dbraw/zinc/45/66/39/1084456639.db2.gz QVKONQLVBNWGNA-GOSISDBHSA-N 1 3 303.450 2.097 20 0 DEADHO C[C@@H](O)CN1CCC[C@@]2(CC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001277957790 1084481266 /nfs/dbraw/zinc/48/12/66/1084481266.db2.gz DIHWSSXUYQGLFR-KGLIPLIRSA-N 1 3 308.388 2.498 20 0 DEADHO C[C@@H](O)CN1CCC[C@@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001277957790 1084481268 /nfs/dbraw/zinc/48/12/68/1084481268.db2.gz DIHWSSXUYQGLFR-KGLIPLIRSA-N 1 3 308.388 2.498 20 0 DEADHO CCOC(=O)[C@]12CN(CCc3cccc(C)c3)C[C@H]1C[NH2+]CC2 ZINC001236036970 1084595131 /nfs/dbraw/zinc/59/51/31/1084595131.db2.gz AWRSBQVXHCQMAV-IEBWSBKVSA-N 1 3 316.445 2.012 20 0 DEADHO CCOC(=O)[C@]12C[N@H+](Cc3cc(C)sc3C)C[C@H]1CNCC2 ZINC001236038032 1084595185 /nfs/dbraw/zinc/59/51/85/1084595185.db2.gz FLHCJHDRZMNMPE-NVXWUHKLSA-N 1 3 322.474 2.340 20 0 DEADHO CCOC(=O)[C@]12C[N@@H+](Cc3cc(C)sc3C)C[C@H]1CNCC2 ZINC001236038032 1084595189 /nfs/dbraw/zinc/59/51/89/1084595189.db2.gz FLHCJHDRZMNMPE-NVXWUHKLSA-N 1 3 322.474 2.340 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CCCC1 ZINC001485960186 1085022022 /nfs/dbraw/zinc/02/20/22/1085022022.db2.gz BBVRGHHFPUXKDI-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CCC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H]1C ZINC001486081201 1085047137 /nfs/dbraw/zinc/04/71/37/1085047137.db2.gz IFGZLEWVGOXAOL-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2F)[C@@H]1C ZINC001486095798 1085056449 /nfs/dbraw/zinc/05/64/49/1085056449.db2.gz NARANKHOMACLJJ-WMLDXEAASA-N 1 3 321.440 2.245 20 0 DEADHO CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)CC1(C)C ZINC001486231935 1085140626 /nfs/dbraw/zinc/14/06/26/1085140626.db2.gz RABUCKOSSMOWMH-JKSUJKDBSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C[NH2+]CCC1CC1)C(C)(C)C)N(C)C ZINC001486412049 1085282176 /nfs/dbraw/zinc/28/21/76/1085282176.db2.gz WKJLQPYNUPJAAZ-JKSUJKDBSA-N 1 3 311.514 2.493 20 0 DEADHO CCC1([NH+]2CCCC2)CCN(C[C@@H](C)CN2CCOCC2)CC1 ZINC001413040728 1085538904 /nfs/dbraw/zinc/53/89/04/1085538904.db2.gz IZQKMZLNLRAEDK-GOSISDBHSA-N 1 3 323.525 2.295 20 0 DEADHO CC1CCN(CC[C@@H]2CCC[N@@H+]2CC2(O)CCOCC2)CC1 ZINC001413044872 1085651473 /nfs/dbraw/zinc/65/14/73/1085651473.db2.gz INBXXZAKJFXQIJ-KRWDZBQOSA-N 1 3 310.482 2.114 20 0 DEADHO CC1CCN(CC[C@@H]2CCC[N@H+]2CC2(O)CCOCC2)CC1 ZINC001413044872 1085651475 /nfs/dbraw/zinc/65/14/75/1085651475.db2.gz INBXXZAKJFXQIJ-KRWDZBQOSA-N 1 3 310.482 2.114 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000961342781 1085697117 /nfs/dbraw/zinc/69/71/17/1085697117.db2.gz RICFKHJZBCVSCZ-ZWKOTPCHSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000961342781 1085697123 /nfs/dbraw/zinc/69/71/23/1085697123.db2.gz RICFKHJZBCVSCZ-ZWKOTPCHSA-N 1 3 321.509 2.440 20 0 DEADHO OC1(C[NH+]2CCCCC2)CCN(C[C@@H]2CCC3(CCC3)O2)CC1 ZINC001413088862 1085915219 /nfs/dbraw/zinc/91/52/19/1085915219.db2.gz NEXMNEOJMXLVMQ-KRWDZBQOSA-N 1 3 322.493 2.401 20 0 DEADHO c1ncn(-c2ccc(C[NH2+]C3CCN(CC4CC4)CC3)cc2)n1 ZINC001413112139 1085945392 /nfs/dbraw/zinc/94/53/92/1085945392.db2.gz IUROOVYLHKZIRN-UHFFFAOYSA-N 1 3 311.433 2.231 20 0 DEADHO CN1CCCC[C@@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000700798735 1086332959 /nfs/dbraw/zinc/33/29/59/1086332959.db2.gz BKHZIOJYNABBQN-LSDHHAIUSA-N 1 3 311.470 2.317 20 0 DEADHO C[N@@H+]1CCCC[C@@H](CN[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000700798735 1086332970 /nfs/dbraw/zinc/33/29/70/1086332970.db2.gz BKHZIOJYNABBQN-LSDHHAIUSA-N 1 3 311.470 2.317 20 0 DEADHO C[N@H+]1CCCC[C@@H](CN[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000700798735 1086332982 /nfs/dbraw/zinc/33/29/82/1086332982.db2.gz BKHZIOJYNABBQN-LSDHHAIUSA-N 1 3 311.470 2.317 20 0 DEADHO CN1CCCC[C@H](C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000700800913 1086334805 /nfs/dbraw/zinc/33/48/05/1086334805.db2.gz XMJKNPXAVHWMRU-WLYUNCDWSA-N 1 3 311.470 2.364 20 0 DEADHO OCc1cc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC000705944256 1086627602 /nfs/dbraw/zinc/62/76/02/1086627602.db2.gz HBJUGUAPRJYFHE-CALCHBBNSA-N 1 3 309.413 2.142 20 0 DEADHO OCc1cc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC000705944256 1086627609 /nfs/dbraw/zinc/62/76/09/1086627609.db2.gz HBJUGUAPRJYFHE-CALCHBBNSA-N 1 3 309.413 2.142 20 0 DEADHO CCCSc1cncc(NC(=[NH2+])NCCN(CC)CC)n1 ZINC001163129432 1086963783 /nfs/dbraw/zinc/96/37/83/1086963783.db2.gz XSMJAWGBANGOIJ-UHFFFAOYSA-N 1 3 310.471 2.257 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001114662424 1087836465 /nfs/dbraw/zinc/83/64/65/1087836465.db2.gz KFDDSPVARYAVPR-UOXFBRONSA-N 1 3 319.493 2.264 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001114662424 1087836483 /nfs/dbraw/zinc/83/64/83/1087836483.db2.gz KFDDSPVARYAVPR-UOXFBRONSA-N 1 3 319.493 2.264 20 0 DEADHO C[C@@H]1C[N@H+](CCCF)C[C@H]1NC(=O)c1ccccc1CN(C)C ZINC001080998890 1089271146 /nfs/dbraw/zinc/27/11/46/1089271146.db2.gz ROKNJRUEIZCDNY-RHSMWYFYSA-N 1 3 321.440 2.158 20 0 DEADHO C[C@@H]1C[N@@H+](CCCF)C[C@H]1NC(=O)c1ccccc1CN(C)C ZINC001080998890 1089271163 /nfs/dbraw/zinc/27/11/63/1089271163.db2.gz ROKNJRUEIZCDNY-RHSMWYFYSA-N 1 3 321.440 2.158 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C(C)C)C1)N(C)C ZINC001081182076 1089369874 /nfs/dbraw/zinc/36/98/74/1089369874.db2.gz BDCKKPDENZSNBY-KSZLIROESA-N 1 3 317.477 2.319 20 0 DEADHO CC[C@@H](N)C(=O)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000719957218 1089419659 /nfs/dbraw/zinc/41/96/59/1089419659.db2.gz ANSADVYELWDNMQ-IAGOWNOFSA-N 1 3 303.450 2.237 20 0 DEADHO CC[C@@H](N)C(=O)N(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000719957218 1089419667 /nfs/dbraw/zinc/41/96/67/1089419667.db2.gz ANSADVYELWDNMQ-IAGOWNOFSA-N 1 3 303.450 2.237 20 0 DEADHO CC[C@@H]([NH3+])C(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1 ZINC000719957218 1089419677 /nfs/dbraw/zinc/41/96/77/1089419677.db2.gz ANSADVYELWDNMQ-IAGOWNOFSA-N 1 3 303.450 2.237 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC001412919766 1089663248 /nfs/dbraw/zinc/66/32/48/1089663248.db2.gz WVBZBMIJFVVQQR-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC001412919766 1089663255 /nfs/dbraw/zinc/66/32/55/1089663255.db2.gz WVBZBMIJFVVQQR-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]CC2CCC2)C1 ZINC000960132743 1089976271 /nfs/dbraw/zinc/97/62/71/1089976271.db2.gz ZZWBZPDLEZVVMQ-WBVHZDCISA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001082742771 1090067442 /nfs/dbraw/zinc/06/74/42/1090067442.db2.gz RCZIRHDIWIGILH-JFIYKMOQSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CCC3)C[C@H]21 ZINC001084338195 1090271606 /nfs/dbraw/zinc/27/16/06/1090271606.db2.gz ITTKYPULPNQGEN-KZNAEPCWSA-N 1 3 319.493 2.192 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CCC3)C[C@H]21 ZINC001084338195 1090271612 /nfs/dbraw/zinc/27/16/12/1090271612.db2.gz ITTKYPULPNQGEN-KZNAEPCWSA-N 1 3 319.493 2.192 20 0 DEADHO CC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC001410326800 1090558440 /nfs/dbraw/zinc/55/84/40/1090558440.db2.gz LYQFQRZGIMRJSJ-QGZVFWFLSA-N 1 3 303.450 2.208 20 0 DEADHO CN(CC(=O)NC/C=C\C[NH2+]CCC(F)(F)F)CC(C)(C)C ZINC001274371880 1091209018 /nfs/dbraw/zinc/20/90/18/1091209018.db2.gz ZONNGSKIHWIMCR-WAYWQWQTSA-N 1 3 323.403 2.179 20 0 DEADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]CC=C(Cl)Cl)C1 ZINC001411282629 1091538209 /nfs/dbraw/zinc/53/82/09/1091538209.db2.gz RKMHLTCWWFQTDV-UHFFFAOYSA-N 1 3 322.280 2.226 20 0 DEADHO CC[C@H](C)C[NH+]1CCC2(CCCN(CC(=O)N(C)C)C2)CC1 ZINC001275061532 1091536138 /nfs/dbraw/zinc/53/61/38/1091536138.db2.gz IHXPPXISNYUSRD-INIZCTEOSA-N 1 3 309.498 2.299 20 0 DEADHO c1cn(CC[N@@H+]2CCC3(C2)CCN(Cc2cc[nH]c2)CC3)cn1 ZINC001276101733 1091549249 /nfs/dbraw/zinc/54/92/49/1091549249.db2.gz IIQPYQXJCBVJLM-UHFFFAOYSA-N 1 3 313.449 2.199 20 0 DEADHO c1cn(CC[N@H+]2CCC3(C2)CCN(Cc2cc[nH]c2)CC3)cn1 ZINC001276101733 1091549253 /nfs/dbraw/zinc/54/92/53/1091549253.db2.gz IIQPYQXJCBVJLM-UHFFFAOYSA-N 1 3 313.449 2.199 20 0 DEADHO COC(=O)C1(C)CCC(N2CCC(F)(F)[C@H](C[NH3+])C2)CC1 ZINC001246553339 1091733545 /nfs/dbraw/zinc/73/35/45/1091733545.db2.gz AULHIVXRUCTIKE-LKSINWNRSA-N 1 3 304.381 2.024 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c1 ZINC001275443752 1091752410 /nfs/dbraw/zinc/75/24/10/1091752410.db2.gz JSVYSHVQLTXVRB-HDICACEKSA-N 1 3 315.461 2.162 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c1 ZINC001275443752 1091752416 /nfs/dbraw/zinc/75/24/16/1091752416.db2.gz JSVYSHVQLTXVRB-HDICACEKSA-N 1 3 315.461 2.162 20 0 DEADHO CC(C)N1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000948987032 1092022148 /nfs/dbraw/zinc/02/21/48/1092022148.db2.gz RYPBKVAXZHBCAR-WMZOPIPTSA-N 1 3 315.461 2.062 20 0 DEADHO CC(C)N1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000948987032 1092022157 /nfs/dbraw/zinc/02/21/57/1092022157.db2.gz RYPBKVAXZHBCAR-WMZOPIPTSA-N 1 3 315.461 2.062 20 0 DEADHO CC(C)N1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000948987025 1092023658 /nfs/dbraw/zinc/02/36/58/1092023658.db2.gz RYPBKVAXZHBCAR-AEFFLSMTSA-N 1 3 315.461 2.062 20 0 DEADHO CC(C)N1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000948987025 1092023667 /nfs/dbraw/zinc/02/36/67/1092023667.db2.gz RYPBKVAXZHBCAR-AEFFLSMTSA-N 1 3 315.461 2.062 20 0 DEADHO CC[NH+]1CCC(N(C)C(=O)c2ccccc2CN(C)C)CC1 ZINC001006442753 1092139912 /nfs/dbraw/zinc/13/99/12/1092139912.db2.gz LAXAVZSIHSFQGO-UHFFFAOYSA-N 1 3 303.450 2.305 20 0 DEADHO C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCCF)C1)N1CCCCCC1 ZINC001488777138 1092746728 /nfs/dbraw/zinc/74/67/28/1092746728.db2.gz KALSVYDOGNIACW-OAGGEKHMSA-N 1 3 313.461 2.095 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1CC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001488956047 1092849200 /nfs/dbraw/zinc/84/92/00/1092849200.db2.gz YNTYRXNJYXHFNL-YESZJQIVSA-N 1 3 307.482 2.169 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[N@H+](C)Cc2cccc(F)c2)C1 ZINC001490251144 1093261779 /nfs/dbraw/zinc/26/17/79/1093261779.db2.gz YAFJFVJOCFCXEE-OAHLLOKOSA-N 1 3 321.440 2.106 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[N@@H+](C)Cc2cccc(F)c2)C1 ZINC001490251144 1093261787 /nfs/dbraw/zinc/26/17/87/1093261787.db2.gz YAFJFVJOCFCXEE-OAHLLOKOSA-N 1 3 321.440 2.106 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[N@H+](CC2CCCC2)C2CC2)C1 ZINC001490384872 1093336697 /nfs/dbraw/zinc/33/66/97/1093336697.db2.gz CGKVJRKADYEWML-INIZCTEOSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[N@@H+](CC2CCCC2)C2CC2)C1 ZINC001490384872 1093336704 /nfs/dbraw/zinc/33/67/04/1093336704.db2.gz CGKVJRKADYEWML-INIZCTEOSA-N 1 3 321.509 2.489 20 0 DEADHO O=C(C[C@H]1NCc2ccccc21)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001649168306 1093735543 /nfs/dbraw/zinc/73/55/43/1093735543.db2.gz VGCQSRLDQJZOCS-MJGOQNOKSA-N 1 3 313.445 2.356 20 0 DEADHO CC(C)C[NH2+]C[C@H](NC(=O)[C@@H](C)N1CCCCCC1)C1CC1 ZINC001420767789 1171131300 /nfs/dbraw/zinc/13/13/00/1171131300.db2.gz FKSNYSJFHNZNRV-WBVHZDCISA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@@H](F)C[N@H+](CCCNC(=O)[C@H]1CCCN1C)C(C)C ZINC001691744647 1138280057 /nfs/dbraw/zinc/28/00/57/1138280057.db2.gz ZAQRASZUJCPNCD-HUUCEWRRSA-N 1 3 301.450 2.045 20 0 DEADHO CC[C@@H](F)C[N@@H+](CCCNC(=O)[C@H]1CCCN1C)C(C)C ZINC001691744647 1138280059 /nfs/dbraw/zinc/28/00/59/1138280059.db2.gz ZAQRASZUJCPNCD-HUUCEWRRSA-N 1 3 301.450 2.045 20 0 DEADHO Nc1cnc(CN(Cc2ccccc2)C2CCC([NH3+])CC2)cn1 ZINC001236228703 1138341247 /nfs/dbraw/zinc/34/12/47/1138341247.db2.gz PDJQCKSSHCUUII-UHFFFAOYSA-N 1 3 311.433 2.331 20 0 DEADHO COC(=O)c1cc(F)ccc1CN1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320912 1138351346 /nfs/dbraw/zinc/35/13/46/1138351346.db2.gz IAURREXHUSYRGU-BETUJISGSA-N 1 3 306.381 2.044 20 0 DEADHO C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(F)c([O-])c1 ZINC001236705280 1138398464 /nfs/dbraw/zinc/39/84/64/1138398464.db2.gz JQMAMXNHBVONOU-UHFFFAOYSA-N 1 3 311.445 2.237 20 0 DEADHO Fc1cccc2c1CC[C@@]21CCC[N@H+](CC[C@@H]2CNCCO2)C1 ZINC001237189007 1138521597 /nfs/dbraw/zinc/52/15/97/1138521597.db2.gz SPAFXFOZDHNEFV-DNVCBOLYSA-N 1 3 318.436 2.484 20 0 DEADHO Fc1cccc2c1CC[C@@]21CCC[N@@H+](CC[C@@H]2CNCCO2)C1 ZINC001237189007 1138521624 /nfs/dbraw/zinc/52/16/24/1138521624.db2.gz SPAFXFOZDHNEFV-DNVCBOLYSA-N 1 3 318.436 2.484 20 0 DEADHO CCC[NH+]1CCC(N2CCC(C(=O)NC(C)(C)C)CC2)CC1 ZINC001278189134 1138823378 /nfs/dbraw/zinc/82/33/78/1138823378.db2.gz MJDKUBFHDOMSSK-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO COc1ccc(CN2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c(F)c1O ZINC001278265704 1138865345 /nfs/dbraw/zinc/86/53/45/1138865345.db2.gz GSRCASMNRQBQQH-BETUJISGSA-N 1 3 308.397 2.314 20 0 DEADHO COc1ccc(CN2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c(F)c1O ZINC001278265704 1138865346 /nfs/dbraw/zinc/86/53/46/1138865346.db2.gz GSRCASMNRQBQQH-BETUJISGSA-N 1 3 308.397 2.314 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001491684610 1140248607 /nfs/dbraw/zinc/24/86/07/1140248607.db2.gz WTIOHWCUZMQTAM-OAHLLOKOSA-N 1 3 309.498 2.391 20 0 DEADHO CN(C)Cc1cccc(-c2cc(N3CC[NH2+]CC3)ccn2)c1F ZINC001244864117 1140489909 /nfs/dbraw/zinc/48/99/09/1140489909.db2.gz JJSIBSZLYKZTFO-UHFFFAOYSA-N 1 3 314.408 2.359 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CCCC(C)(C)C)CN1C(=O)Cc1c[nH]cn1 ZINC001278405799 1140628997 /nfs/dbraw/zinc/62/89/97/1140628997.db2.gz ZBBSVBHILLWEIG-HIFRSBDPSA-N 1 3 306.454 2.358 20 0 DEADHO CC(C)=CCN(C)CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001320091572 1140820332 /nfs/dbraw/zinc/82/03/32/1140820332.db2.gz WODSWEZVCXMECJ-KRWDZBQOSA-N 1 3 309.498 2.463 20 0 DEADHO NC1(C[NH2+]C[C@H](O)COc2cccc3ccccc32)CCCC1 ZINC001245976029 1140840694 /nfs/dbraw/zinc/84/06/94/1140840694.db2.gz SIOQEUFCUVZTPC-INIZCTEOSA-N 1 3 314.429 2.441 20 0 DEADHO O[C@@]1(C[NH+]2CCC(Cc3cccc(F)c3)CC2)CCCNC1 ZINC001246049737 1140853943 /nfs/dbraw/zinc/85/39/43/1140853943.db2.gz SPBSTUHGIDOFOA-SFHVURJKSA-N 1 3 306.425 2.195 20 0 DEADHO O[C@@]1(CN2CCC(Cc3cccc(F)c3)CC2)CCC[NH2+]C1 ZINC001246049737 1140853944 /nfs/dbraw/zinc/85/39/44/1140853944.db2.gz SPBSTUHGIDOFOA-SFHVURJKSA-N 1 3 306.425 2.195 20 0 DEADHO O[C@@]1(CN2CCC(Cc3ccc(F)cc3)CC2)CCC[NH2+]C1 ZINC001246056221 1140855216 /nfs/dbraw/zinc/85/52/16/1140855216.db2.gz OLQXNESIYYLFIW-SFHVURJKSA-N 1 3 306.425 2.195 20 0 DEADHO COc1ccccc1CN1CCC([NH2+][C@@H]2CCCNC2)CC1 ZINC001246181368 1140870137 /nfs/dbraw/zinc/87/01/37/1140870137.db2.gz XNOWYCALZTWGHD-QGZVFWFLSA-N 1 3 303.450 2.001 20 0 DEADHO COc1ccccc1CN1CCC([NH2+][C@H]2CC[C@H](C)NC2)CC1 ZINC001246177661 1140870541 /nfs/dbraw/zinc/87/05/41/1140870541.db2.gz CRDCLSOCWGSHTK-YJBOKZPZSA-N 1 3 317.477 2.390 20 0 DEADHO FC1(F)CNCC[C@H]1CN[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246228676 1140875652 /nfs/dbraw/zinc/87/56/52/1140875652.db2.gz IUWZLYDLKFQMOU-KBPBESRZSA-N 1 3 301.425 2.276 20 0 DEADHO C[C@@H]1CC[C@@H](NCCC2CCN(C(=O)C(C)(C)C)CC2)C[NH2+]1 ZINC001246257446 1140878740 /nfs/dbraw/zinc/87/87/40/1140878740.db2.gz SZRWPNWIWRYWCQ-GDBMZVCRSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H]1C[C@H]([NH2+]C2CCN(CC(=O)c3cccs3)CC2)CCN1 ZINC001246372280 1140889577 /nfs/dbraw/zinc/88/95/77/1140889577.db2.gz ZUUVBDGEFFEBHO-DZGCQCFKSA-N 1 3 321.490 2.125 20 0 DEADHO COc1cccc(C2(C[NH2+][C@H]3CCN[C@H](C)C3)CCOCC2)c1 ZINC001246374442 1140890253 /nfs/dbraw/zinc/89/02/53/1140890253.db2.gz LNLXJKOXAJFNNR-WBVHZDCISA-N 1 3 318.461 2.474 20 0 DEADHO Brc1cccc2c1C[C@H]([NH2+][C@@H]1CC13CNC3)CC2 ZINC001246447883 1140902377 /nfs/dbraw/zinc/90/23/77/1140902377.db2.gz XJSXQFNLLYHEKH-BXUZGUMPSA-N 1 3 307.235 2.258 20 0 DEADHO Brc1cccnc1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246507594 1140930642 /nfs/dbraw/zinc/93/06/42/1140930642.db2.gz YTFBDMIYWJHLTG-FOSCPWQOSA-N 1 3 310.239 2.259 20 0 DEADHO COc1ccc([C@H]2C[C@@H]([N@@H+]3C[C@H](C)[C@H](CN)C3)CCO2)cc1 ZINC001246538700 1140944017 /nfs/dbraw/zinc/94/40/17/1140944017.db2.gz FGHPJSDXUCULKO-JXSMBQFASA-N 1 3 304.434 2.442 20 0 DEADHO COc1ccc([C@H]2C[C@@H]([N@H+]3C[C@H](C)[C@H](CN)C3)CCO2)cc1 ZINC001246538700 1140944030 /nfs/dbraw/zinc/94/40/30/1140944030.db2.gz FGHPJSDXUCULKO-JXSMBQFASA-N 1 3 304.434 2.442 20 0 DEADHO CCOC(=O)[C@@]12C[N@@H+]([C@@H]3CCC(C)(C)C3)C[C@@H]1CNCCC2 ZINC001246596810 1140997591 /nfs/dbraw/zinc/99/75/91/1140997591.db2.gz QZQHDHIDWIHQRF-DAYGRLMNSA-N 1 3 308.466 2.430 20 0 DEADHO CCOC(=O)[C@@]12C[N@H+]([C@@H]3CCC(C)(C)C3)C[C@@H]1CNCCC2 ZINC001246596810 1140997596 /nfs/dbraw/zinc/99/75/96/1140997596.db2.gz QZQHDHIDWIHQRF-DAYGRLMNSA-N 1 3 308.466 2.430 20 0 DEADHO CCCCCC[C@@H](CC)[N@@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246622965 1141009047 /nfs/dbraw/zinc/00/90/47/1141009047.db2.gz AROJBACHKFFWMJ-QAPCUYQASA-N 1 3 307.482 2.147 20 0 DEADHO CCCCCC[C@@H](CC)[N@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246622965 1141009056 /nfs/dbraw/zinc/00/90/56/1141009056.db2.gz AROJBACHKFFWMJ-QAPCUYQASA-N 1 3 307.482 2.147 20 0 DEADHO CCOC(=O)c1ccc(C[C@H](C)[N@@H+]2CC[C@H]3CNCC[C@H]32)cc1 ZINC001246626385 1141010512 /nfs/dbraw/zinc/01/05/12/1141010512.db2.gz SYBOBNKDAAWOEU-JCGIZDLHSA-N 1 3 316.445 2.478 20 0 DEADHO CCOC(=O)c1ccc(C[C@H](C)[N@H+]2CC[C@H]3CNCC[C@H]32)cc1 ZINC001246626385 1141010522 /nfs/dbraw/zinc/01/05/22/1141010522.db2.gz SYBOBNKDAAWOEU-JCGIZDLHSA-N 1 3 316.445 2.478 20 0 DEADHO CCOC(=O)c1ccc(C[C@H](C)N2CC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001246626385 1141010533 /nfs/dbraw/zinc/01/05/33/1141010533.db2.gz SYBOBNKDAAWOEU-JCGIZDLHSA-N 1 3 316.445 2.478 20 0 DEADHO CCOC(=O)c1ccc(C[C@@H](C)N2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246631771 1141012369 /nfs/dbraw/zinc/01/23/69/1141012369.db2.gz SCFJVFYWEFHPHU-BEFAXECRSA-N 1 3 316.445 2.480 20 0 DEADHO Cc1ccc2c(c1)C[C@@H](N1CC[NH2+]C[C@@]3(CCCCN3)C1)CC2 ZINC001246637100 1141015826 /nfs/dbraw/zinc/01/58/26/1141015826.db2.gz XTUPRVVIPYBBKT-PMACEKPBSA-N 1 3 313.489 2.270 20 0 DEADHO Cc1cccc2c1CC[C@@H](N1CC[NH2+]C[C@@]3(CCCCN3)C1)C2 ZINC001246637563 1141018718 /nfs/dbraw/zinc/01/87/18/1141018718.db2.gz YNBRSJLAIIXRTD-QUCCMNQESA-N 1 3 313.489 2.270 20 0 DEADHO CN1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CCCCCC1 ZINC001320995928 1141022436 /nfs/dbraw/zinc/02/24/36/1141022436.db2.gz BAIQSLRAPOUBJQ-TUYSUELWSA-N 1 3 307.482 2.313 20 0 DEADHO Cc1cccc(C)c1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCN1C ZINC001320996515 1141022562 /nfs/dbraw/zinc/02/25/62/1141022562.db2.gz FKUYFCRJTXCFLX-WRFKIARRSA-N 1 3 315.461 2.160 20 0 DEADHO COC(=O)[C@@H]1CN([C@@H]2CC[NH2+][C@H](C)C2)C[C@H]1c1ccccc1 ZINC001246983322 1141213793 /nfs/dbraw/zinc/21/37/93/1141213793.db2.gz HNKAFPQRCLEIRY-MXASKKJJSA-N 1 3 302.418 2.016 20 0 DEADHO FC(F)(F)[C@H]1CNCCN1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246989116 1141221763 /nfs/dbraw/zinc/22/17/63/1141221763.db2.gz KJLYGBQSXKDNDO-CYBMUJFWSA-N 1 3 305.388 2.135 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]21 ZINC001278487032 1141360977 /nfs/dbraw/zinc/36/09/77/1141360977.db2.gz LFFYQFWSSWPMCB-HYVNUMGLSA-N 1 3 316.449 2.135 20 0 DEADHO CN(Cc1cnn2ccc(Cl)nc12)CC1CC[NH+](C)CC1 ZINC001248873898 1141827061 /nfs/dbraw/zinc/82/70/61/1141827061.db2.gz FJYWUWWOYAOHGN-UHFFFAOYSA-N 1 3 307.829 2.156 20 0 DEADHO CN(C)Cc1ccc(-c2noc(COC[C@H]3CCC[NH2+]3)n2)cc1 ZINC001248879592 1141828853 /nfs/dbraw/zinc/82/88/53/1141828853.db2.gz PPTVPEWSFSZYGO-OAHLLOKOSA-N 1 3 316.405 2.067 20 0 DEADHO CCN(CC)C[C@@H](O)C[NH+]1CCC(COc2ccccc2)CC1 ZINC001253190765 1142851536 /nfs/dbraw/zinc/85/15/36/1142851536.db2.gz RUXMHGXJOCPUDE-GOSISDBHSA-N 1 3 320.477 2.480 20 0 DEADHO CC[NH+](CC)C[C@H](O)CNCCCc1c[nH]c2ccccc12 ZINC001253204987 1142854020 /nfs/dbraw/zinc/85/40/20/1142854020.db2.gz ZUHPZBLNPGPGQB-MRXNPFEDSA-N 1 3 303.450 2.393 20 0 DEADHO CCN(CC)C[C@@H](O)C[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC001253207787 1142854133 /nfs/dbraw/zinc/85/41/33/1142854133.db2.gz JSKMHQBIOJRHKV-FUHWJXTLSA-N 1 3 306.450 2.439 20 0 DEADHO CC[NH+](CC)C[C@H](O)CNCCc1cn(C)c2ccccc12 ZINC001253209199 1142854332 /nfs/dbraw/zinc/85/43/32/1142854332.db2.gz ZXJQAEYTAONALO-MRXNPFEDSA-N 1 3 303.450 2.013 20 0 DEADHO Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCN(C(C)C)C[C@H]2C)cc1 ZINC001253851065 1142988963 /nfs/dbraw/zinc/98/89/63/1142988963.db2.gz NUVFFOIAIZHRNR-ZHALLVOQSA-N 1 3 320.477 2.443 20 0 DEADHO COc1cc(C[NH2+][C@H]2CCCN(C)CC2)ccc1OC1COC1 ZINC001254505068 1143150773 /nfs/dbraw/zinc/15/07/73/1143150773.db2.gz YSFJUWCOFJOUEN-HNNXBMFYSA-N 1 3 320.433 2.047 20 0 DEADHO C[N@@H+]1CCC[C@@H](N2CCCN(c3ccc(F)cn3)CC2)CC1 ZINC001254515689 1143175611 /nfs/dbraw/zinc/17/56/11/1143175611.db2.gz AXWWHLXHLQIUPT-MRXNPFEDSA-N 1 3 306.429 2.217 20 0 DEADHO C[N@H+]1CCC[C@@H](N2CCCN(c3ccc(F)cn3)CC2)CC1 ZINC001254515689 1143175615 /nfs/dbraw/zinc/17/56/15/1143175615.db2.gz AXWWHLXHLQIUPT-MRXNPFEDSA-N 1 3 306.429 2.217 20 0 DEADHO Cc1noc([C@H]2C[C@@H]3CC[N@@H+]([C@H]4CCCN(C)CC4)C[C@H]3O2)n1 ZINC001254518518 1143178277 /nfs/dbraw/zinc/17/82/77/1143178277.db2.gz NOJNINQVQOWYLI-CAOSSQGBSA-N 1 3 320.437 2.014 20 0 DEADHO Cc1noc([C@H]2C[C@@H]3CC[N@H+]([C@H]4CCCN(C)CC4)C[C@H]3O2)n1 ZINC001254518518 1143178285 /nfs/dbraw/zinc/17/82/85/1143178285.db2.gz NOJNINQVQOWYLI-CAOSSQGBSA-N 1 3 320.437 2.014 20 0 DEADHO C[N@@H+]1CCC[C@@H](N2CCC(NC(=O)C3CCCC3)CC2)CC1 ZINC001254522705 1143207181 /nfs/dbraw/zinc/20/71/81/1143207181.db2.gz JEEZQJAKAZXESG-QGZVFWFLSA-N 1 3 307.482 2.242 20 0 DEADHO C[N@H+]1CCC[C@@H](N2CCC(NC(=O)C3CCCC3)CC2)CC1 ZINC001254522705 1143207195 /nfs/dbraw/zinc/20/71/95/1143207195.db2.gz JEEZQJAKAZXESG-QGZVFWFLSA-N 1 3 307.482 2.242 20 0 DEADHO COc1cccnc1O[C@@H]1CC[N@@H+]([C@H]2CCCN(C)CC2)C1 ZINC001254533565 1143233166 /nfs/dbraw/zinc/23/31/66/1143233166.db2.gz MMJZATXZQWMGOW-LSDHHAIUSA-N 1 3 305.422 2.028 20 0 DEADHO COc1cccnc1O[C@@H]1CC[N@H+]([C@H]2CCCN(C)CC2)C1 ZINC001254533565 1143233186 /nfs/dbraw/zinc/23/31/86/1143233186.db2.gz MMJZATXZQWMGOW-LSDHHAIUSA-N 1 3 305.422 2.028 20 0 DEADHO CC[NH+](CC)CCCN1CCN(C2C[C@@H]3CC(=O)C[C@H]3C2)CC1 ZINC001254956785 1143372593 /nfs/dbraw/zinc/37/25/93/1143372593.db2.gz ODVMDAIGILBYDZ-IAGOWNOFSA-N 1 3 321.509 2.094 20 0 DEADHO c1ccc2c(c1)CC([NH2+][C@H]1CC[C@H](N3CCOCC3)CC1)C2 ZINC001255018244 1143384717 /nfs/dbraw/zinc/38/47/17/1143384717.db2.gz IMPSZZIJYKSGHR-UAPYVXQJSA-N 1 3 300.446 2.387 20 0 DEADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC2OCCO2)C3)cc1 ZINC001255127863 1143432810 /nfs/dbraw/zinc/43/28/10/1143432810.db2.gz FOWQRIRLODJMGQ-OSYLJGHBSA-N 1 3 302.418 2.145 20 0 DEADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1C[C@H]3CCN(C)C[C@H]3C1)C2 ZINC001255205600 1143496237 /nfs/dbraw/zinc/49/62/37/1143496237.db2.gz SARKPMVPPSXCOE-BPKGMFCQSA-N 1 3 321.465 2.022 20 0 DEADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@H+]1C[C@H]3CCN(C)C[C@H]3C1)C2 ZINC001255205600 1143496243 /nfs/dbraw/zinc/49/62/43/1143496243.db2.gz SARKPMVPPSXCOE-BPKGMFCQSA-N 1 3 321.465 2.022 20 0 DEADHO CCCN1C[C@@H]2C[NH+]([C@@H]3CCC[C@H](C(=O)OCC)C3)C[C@H]2C1 ZINC001255377145 1143585656 /nfs/dbraw/zinc/58/56/56/1143585656.db2.gz GHHAGVCDOYADES-YLFCFFPRSA-N 1 3 308.466 2.382 20 0 DEADHO CCCCCCN(C)CC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC001341345856 1143587506 /nfs/dbraw/zinc/58/75/06/1143587506.db2.gz CYITWZAVTTWMDR-SJLPKXTDSA-N 1 3 303.450 2.239 20 0 DEADHO C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCN(C)C1 ZINC001255427670 1143621672 /nfs/dbraw/zinc/62/16/72/1143621672.db2.gz UHUHTWYXWUGMKF-NZSAHSFTSA-N 1 3 301.478 2.438 20 0 DEADHO CN(C)C1=NOC2(C1)CC[NH+](C1C[C@H]3CCC[C@@H](C1)N3C)CC2 ZINC001255678274 1143801219 /nfs/dbraw/zinc/80/12/19/1143801219.db2.gz CTSHOOZKLPAASD-XYPWUTKMSA-N 1 3 320.481 2.132 20 0 DEADHO CC(=O)N1CCCCC12CCN(C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001256625979 1143858334 /nfs/dbraw/zinc/85/83/34/1143858334.db2.gz LJODIICJXARLGX-JWTNVVGKSA-N 1 3 319.493 2.479 20 0 DEADHO CC(=O)N1CCCCC12CCN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001256625979 1143858336 /nfs/dbraw/zinc/85/83/36/1143858336.db2.gz LJODIICJXARLGX-JWTNVVGKSA-N 1 3 319.493 2.479 20 0 DEADHO CC1(C)C[C@@H](C[NH2+]C2CCC(N3CCOCC3)CC2)CCO1 ZINC001256680744 1143861766 /nfs/dbraw/zinc/86/17/66/1143861766.db2.gz BWNXAQHTELBMJN-GTPINHCMSA-N 1 3 310.482 2.425 20 0 DEADHO c1ccc2c(c1)OC[C@@H]2[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256682719 1143861883 /nfs/dbraw/zinc/86/18/83/1143861883.db2.gz NRKUJDWCILDNMV-DQPZFDDXSA-N 1 3 302.418 2.353 20 0 DEADHO CC(C)N(C)[C@H]1CC[N@@H+](C2CCC(N3CCOCC3)CC2)C1 ZINC001256697019 1143863382 /nfs/dbraw/zinc/86/33/82/1143863382.db2.gz RIRPEABYMNVCIG-ABHNRTSZSA-N 1 3 309.498 2.044 20 0 DEADHO CC(C)N(C)[C@H]1CC[N@H+](C2CCC(N3CCOCC3)CC2)C1 ZINC001256697019 1143863384 /nfs/dbraw/zinc/86/33/84/1143863384.db2.gz RIRPEABYMNVCIG-ABHNRTSZSA-N 1 3 309.498 2.044 20 0 DEADHO c1nc(CNC2CCN(c3cc[nH+]cc3)CC2)c2ccccn12 ZINC001256853104 1143870623 /nfs/dbraw/zinc/87/06/23/1143870623.db2.gz OZJBXFWMPBYUDP-UHFFFAOYSA-N 1 3 307.401 2.488 20 0 DEADHO NC1CC([NH2+]C2CCN(c3ncccc3C(F)(F)F)CC2)C1 ZINC001256880888 1143872869 /nfs/dbraw/zinc/87/28/69/1143872869.db2.gz DGIONVAMFFPJKG-UHFFFAOYSA-N 1 3 314.355 2.149 20 0 DEADHO [NH3+]C1CC(NC2CCN(c3ncccc3C(F)(F)F)CC2)C1 ZINC001256880888 1143872872 /nfs/dbraw/zinc/87/28/72/1143872872.db2.gz DGIONVAMFFPJKG-UHFFFAOYSA-N 1 3 314.355 2.149 20 0 DEADHO CC(C)[C@H]1C[C@@H]([NH2+]C2CC(N)C2)CCN1C(=O)OC(C)(C)C ZINC001257178484 1143891831 /nfs/dbraw/zinc/89/18/31/1143891831.db2.gz HBTXAWUMEFUSRT-OOJKYFRXSA-N 1 3 311.470 2.490 20 0 DEADHO CCN(CC)C(=O)[C@H]1CCCN(C2CC[NH+](C(C)C)CC2)C1 ZINC001257212869 1143893082 /nfs/dbraw/zinc/89/30/82/1143893082.db2.gz BGDWIEMNEGZAHP-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N1CCC([N@@H+]2CCC[C@@H](C(F)(F)F)[C@H]2CO)CC1 ZINC001257215486 1143893720 /nfs/dbraw/zinc/89/37/20/1143893720.db2.gz XHZKTYZWHCPESK-ZIAGYGMSSA-N 1 3 308.388 2.494 20 0 DEADHO CC(C)N1CCC([N@H+]2CCC[C@@H](C(F)(F)F)[C@H]2CO)CC1 ZINC001257215486 1143893723 /nfs/dbraw/zinc/89/37/23/1143893723.db2.gz XHZKTYZWHCPESK-ZIAGYGMSSA-N 1 3 308.388 2.494 20 0 DEADHO CC(C)CN1CCC([NH2+]Cc2ccc(-n3ccnn3)cc2)CC1 ZINC001258008681 1143964640 /nfs/dbraw/zinc/96/46/40/1143964640.db2.gz CSWBSVQPVCTFNL-UHFFFAOYSA-N 1 3 313.449 2.477 20 0 DEADHO COc1ccc(CC[C@H](C)N2CCN(CC[NH+](C)C)CC2)cc1 ZINC001258396894 1144003387 /nfs/dbraw/zinc/00/33/87/1144003387.db2.gz DMHCJSQRLBAWBV-KRWDZBQOSA-N 1 3 319.493 2.196 20 0 DEADHO CCC[NH+]1CCC(N[C@H](CO)Cc2ccc(OC)cc2)CC1 ZINC001258768270 1144039090 /nfs/dbraw/zinc/03/90/90/1144039090.db2.gz GRKNBLCITNPLHA-KRWDZBQOSA-N 1 3 306.450 2.063 20 0 DEADHO CCC[NH+]1CCC(N2C[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)CC1 ZINC001258776548 1144041566 /nfs/dbraw/zinc/04/15/66/1144041566.db2.gz DMLDDWFOYZEVEN-GOEBONIOSA-N 1 3 323.481 2.412 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]C/C=C/Cl)N(C)C ZINC001264564403 1144567556 /nfs/dbraw/zinc/56/75/56/1144567556.db2.gz QUINLGQBQBVESR-QEBBVAKMSA-N 1 3 315.889 2.296 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]C/C=C\Cl)N(C)C ZINC001264564405 1144568210 /nfs/dbraw/zinc/56/82/10/1144568210.db2.gz QUINLGQBQBVESR-WKKFDSKRSA-N 1 3 315.889 2.296 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCCC[C@@H]2C[NH2+]CCF)c1 ZINC001265691204 1144728822 /nfs/dbraw/zinc/72/88/22/1144728822.db2.gz GOTPYLQLDVCJFZ-QGZVFWFLSA-N 1 3 321.440 2.302 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCCC2CCC2)C1 ZINC001265964736 1144771550 /nfs/dbraw/zinc/77/15/50/1144771550.db2.gz ZWUWZJCUDHPIPX-IAGOWNOFSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]CCC3CCCC3)C2)C1 ZINC001266016475 1144788781 /nfs/dbraw/zinc/78/87/81/1144788781.db2.gz ZNSSNYIRIVXGLS-AEFFLSMTSA-N 1 3 321.509 2.347 20 0 DEADHO CC/C=C/CC[NH2+]C1(CNC(=O)Cc2nc[nH]c2C)CCC1 ZINC001280534370 1144844277 /nfs/dbraw/zinc/84/42/77/1144844277.db2.gz VUYHRDHHJAVARK-SNAWJCMRSA-N 1 3 304.438 2.245 20 0 DEADHO COC1CC(C[NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC001364985040 1145732983 /nfs/dbraw/zinc/73/29/83/1145732983.db2.gz RZOPLWKIHAWTKH-UHFFFAOYSA-N 1 3 303.450 2.308 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2C[C@H]3CSC[C@@]3(C)C2)CC1 ZINC001365339754 1145851444 /nfs/dbraw/zinc/85/14/44/1145851444.db2.gz PEYAZJGYIMCFOR-DLBZAZTESA-N 1 3 311.539 2.087 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2C[C@H]3CSC[C@@]3(C)C2)CC1 ZINC001365339754 1145851445 /nfs/dbraw/zinc/85/14/45/1145851445.db2.gz PEYAZJGYIMCFOR-DLBZAZTESA-N 1 3 311.539 2.087 20 0 DEADHO CC[C@H](C(=O)N[C@H](C[NH2+]C/C=C/Cl)C(C)(C)C)N(C)C ZINC001284604128 1145878039 /nfs/dbraw/zinc/87/80/39/1145878039.db2.gz NTXUCFADWNOTMP-RYYBZQDPSA-N 1 3 303.878 2.200 20 0 DEADHO Cc1cc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc(C)n1 ZINC001365511567 1145883884 /nfs/dbraw/zinc/88/38/84/1145883884.db2.gz RIILZYCGHVVNKV-HNAYVOBHSA-N 1 3 316.493 2.156 20 0 DEADHO Cc1cc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc(C)n1 ZINC001365511567 1145883886 /nfs/dbraw/zinc/88/38/86/1145883886.db2.gz RIILZYCGHVVNKV-HNAYVOBHSA-N 1 3 316.493 2.156 20 0 DEADHO CC(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001365857910 1146030770 /nfs/dbraw/zinc/03/07/70/1146030770.db2.gz YEDPUMQMXSVRLM-GVDBMIGSSA-N 1 3 311.514 2.493 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCC2CC2)C1)N1CCCC1 ZINC001366005910 1147004393 /nfs/dbraw/zinc/00/43/93/1147004393.db2.gz TYLHLHPJOXXDHT-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CCC2CC2)C1)N1CCCC1 ZINC001366005910 1147004399 /nfs/dbraw/zinc/00/43/99/1147004399.db2.gz TYLHLHPJOXXDHT-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001366026743 1147016484 /nfs/dbraw/zinc/01/64/84/1147016484.db2.gz YGCHFRSPCAXNPK-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](F)C[N@H+](C)C[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001366071775 1147039849 /nfs/dbraw/zinc/03/98/49/1147039849.db2.gz BYOYIJHMZWBAQQ-JKSUJKDBSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@@H](F)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001366071775 1147039854 /nfs/dbraw/zinc/03/98/54/1147039854.db2.gz BYOYIJHMZWBAQQ-JKSUJKDBSA-N 1 3 313.461 2.001 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001366231368 1147139802 /nfs/dbraw/zinc/13/98/02/1147139802.db2.gz QWPJZSCCQXJYKW-GOSISDBHSA-N 1 3 317.477 2.498 20 0 DEADHO Cc1ccc(C)c(C[NH2+][C@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001366283804 1147191653 /nfs/dbraw/zinc/19/16/53/1147191653.db2.gz GMUPFRZDISTZDM-MRXNPFEDSA-N 1 3 317.477 2.382 20 0 DEADHO Cc1ccc(F)c(CN[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC001366345887 1147225856 /nfs/dbraw/zinc/22/58/56/1147225856.db2.gz KNRKINIZXMNDHB-PBHICJAKSA-N 1 3 323.456 2.315 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@H+](C)Cc1ccccc1C1CC1 ZINC001366597123 1147382236 /nfs/dbraw/zinc/38/22/36/1147382236.db2.gz RSPPXFRSZTVKQP-UHFFFAOYSA-N 1 3 317.477 2.452 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@@H+](C)Cc1ccccc1C1CC1 ZINC001366597123 1147382240 /nfs/dbraw/zinc/38/22/40/1147382240.db2.gz RSPPXFRSZTVKQP-UHFFFAOYSA-N 1 3 317.477 2.452 20 0 DEADHO CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC001413833874 1147430841 /nfs/dbraw/zinc/43/08/41/1147430841.db2.gz OZSJIXJAHPRYAO-MSOLQXFVSA-N 1 3 315.461 2.204 20 0 DEADHO CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC001413833874 1147430844 /nfs/dbraw/zinc/43/08/44/1147430844.db2.gz OZSJIXJAHPRYAO-MSOLQXFVSA-N 1 3 315.461 2.204 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@H]1CCCN1C/C=C/c1ccccc1 ZINC001366682518 1147479298 /nfs/dbraw/zinc/47/92/98/1147479298.db2.gz YCPGAMJXRORHDT-WGLAMXGCSA-N 1 3 315.461 2.232 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2cccc(C)c2)C1 ZINC001366899681 1147612604 /nfs/dbraw/zinc/61/26/04/1147612604.db2.gz YFYYEIBPOMPIFT-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2cccc(C)c2)C1 ZINC001366899681 1147612606 /nfs/dbraw/zinc/61/26/06/1147612606.db2.gz YFYYEIBPOMPIFT-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO CC(C)=CCN1CCC[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001316944116 1147636226 /nfs/dbraw/zinc/63/62/26/1147636226.db2.gz NYYRTDQODQBGLC-IAGOWNOFSA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)=CCN1CCC[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001316944116 1147636227 /nfs/dbraw/zinc/63/62/27/1147636227.db2.gz NYYRTDQODQBGLC-IAGOWNOFSA-N 1 3 307.482 2.408 20 0 DEADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC1CC(C)(C)C1 ZINC001367099730 1147649642 /nfs/dbraw/zinc/64/96/42/1147649642.db2.gz LRTQLJVQICVFHR-OAHLLOKOSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@H](CNC(=O)CC[NH+](C)C)N[C@@H](C)c1ccccc1F ZINC001367129221 1147653889 /nfs/dbraw/zinc/65/38/89/1147653889.db2.gz SFOZXLITQJGXTP-UONOGXRCSA-N 1 3 309.429 2.323 20 0 DEADHO CC[C@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1cc(C)ccc1F ZINC001367136452 1147655084 /nfs/dbraw/zinc/65/50/84/1147655084.db2.gz UUERVMXYCWHLSU-WBVHZDCISA-N 1 3 323.456 2.459 20 0 DEADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC=C(C)C ZINC001317097601 1147659234 /nfs/dbraw/zinc/65/92/34/1147659234.db2.gz FJDFCGBFGOJDTO-ALOPSCKCSA-N 1 3 307.482 2.406 20 0 DEADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC=C(C)C ZINC001317097601 1147659235 /nfs/dbraw/zinc/65/92/35/1147659235.db2.gz FJDFCGBFGOJDTO-ALOPSCKCSA-N 1 3 307.482 2.406 20 0 DEADHO CC[C@H](C(=O)NCCC1CC[NH+](C/C=C/Cl)CC1)N(C)C ZINC001367210644 1147664642 /nfs/dbraw/zinc/66/46/42/1147664642.db2.gz UGJQWPZFQIGPDG-FUVBFXSKSA-N 1 3 315.889 2.297 20 0 DEADHO CCCC[NH2+][C@@H](C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001480792065 1147676130 /nfs/dbraw/zinc/67/61/30/1147676130.db2.gz IIMJURNNHLGJCO-WMLDXEAASA-N 1 3 315.477 2.483 20 0 DEADHO CC[C@@H](F)CNC[C@H](C)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001367370642 1147684959 /nfs/dbraw/zinc/68/49/59/1147684959.db2.gz YSSKUWVNRSXFBX-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(F)cc1 ZINC001367405774 1147689809 /nfs/dbraw/zinc/68/98/09/1147689809.db2.gz XBZIMFWZICGCPN-AWEZNQCLSA-N 1 3 309.429 2.104 20 0 DEADHO CC(C)[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]C/C=C\Cl ZINC001367493590 1147701836 /nfs/dbraw/zinc/70/18/36/1147701836.db2.gz YBLICJWRAVSLAK-WBTMPAOCSA-N 1 3 315.889 2.344 20 0 DEADHO CN(CC[N@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)CN(C)C1CCC1 ZINC001367516800 1147707485 /nfs/dbraw/zinc/70/74/85/1147707485.db2.gz TYUBBDTXFQMECE-ZACQAIPSSA-N 1 3 321.509 2.297 20 0 DEADHO CN(CC[N@@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)CN(C)C1CCC1 ZINC001367516800 1147707486 /nfs/dbraw/zinc/70/74/86/1147707486.db2.gz TYUBBDTXFQMECE-ZACQAIPSSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@H](C[NH2+][C@@H]1CCc2ccccc21)NC(=O)C1(N(C)C)CCC1 ZINC001367676288 1147725659 /nfs/dbraw/zinc/72/56/59/1147725659.db2.gz OWXSFJOWYUYBMT-RHSMWYFYSA-N 1 3 315.461 2.253 20 0 DEADHO CN(CC[NH2+]CC/C=C/c1ccccc1)C(=O)[C@H]1CCCN1C ZINC001317573478 1147727307 /nfs/dbraw/zinc/72/73/07/1147727307.db2.gz PNCDUNAITFLUSV-PMQIGOLDSA-N 1 3 315.461 2.232 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]C[C@H]1CCCC(F)(F)C1)N(C)C ZINC001367739063 1147735740 /nfs/dbraw/zinc/73/57/40/1147735740.db2.gz FXKPHGRMNTZMRC-MELADBBJSA-N 1 3 319.440 2.246 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1C1CC1)N(C)C ZINC001367740168 1147735764 /nfs/dbraw/zinc/73/57/64/1147735764.db2.gz KBKKPOULGWHIEP-KBXCAEBGSA-N 1 3 317.477 2.499 20 0 DEADHO CN(CCNCc1ccsc1)C(=O)CC[NH+]1CCCCC1 ZINC001317670923 1147741543 /nfs/dbraw/zinc/74/15/43/1147741543.db2.gz ZETYQIJKGLSWCR-UHFFFAOYSA-N 1 3 309.479 2.172 20 0 DEADHO CCC/C=C\CC[NH+]1CC(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001318155126 1147785545 /nfs/dbraw/zinc/78/55/45/1147785545.db2.gz OGNQRZBWEHVWHV-OGZRUICASA-N 1 3 307.482 2.123 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@H]1CC[N@@H+](C(C)C)C1 ZINC001368046485 1147841050 /nfs/dbraw/zinc/84/10/50/1147841050.db2.gz RMLQIEIXGXSQFX-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@H]1CC[N@H+](C(C)C)C1 ZINC001368046485 1147841054 /nfs/dbraw/zinc/84/10/54/1147841054.db2.gz RMLQIEIXGXSQFX-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000423780076 230548086 /nfs/dbraw/zinc/54/80/86/230548086.db2.gz WEGAQGULOZXYCP-DAXOMENPSA-N 1 3 323.868 2.447 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2c(C)nn(C)c2C)[C@H](C)C1 ZINC000151142005 282111680 /nfs/dbraw/zinc/11/16/80/282111680.db2.gz OSWSBIRPLGSXMH-RDTXWAMCSA-N 1 3 322.497 2.264 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N[C@]1(C)CC[NH2+]C1)c1ccsc1 ZINC000612867494 361935145 /nfs/dbraw/zinc/93/51/45/361935145.db2.gz AUXMJKWWRQCXDA-GDBMZVCRSA-N 1 3 324.494 2.182 20 0 DEADHO C[C@@H](NC(C)(C)CNC(=O)N[C@@]1(C)CC[NH2+]C1)c1ccccc1 ZINC000612881461 361939466 /nfs/dbraw/zinc/93/94/66/361939466.db2.gz TYEVYANBFUIEQH-KDOFPFPSSA-N 1 3 318.465 2.167 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000174321283 282192722 /nfs/dbraw/zinc/19/27/22/282192722.db2.gz IHUBHQTZJYNNGC-KRWDZBQOSA-N 1 3 315.461 2.306 20 0 DEADHO Cn1c2ccc(F)cc2nc1CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090038941 185279288 /nfs/dbraw/zinc/27/92/88/185279288.db2.gz JAEHFGNLBOHRSK-LSDHHAIUSA-N 1 3 316.424 2.471 20 0 DEADHO Cn1c2ccc(F)cc2nc1CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090038941 185279289 /nfs/dbraw/zinc/27/92/89/185279289.db2.gz JAEHFGNLBOHRSK-LSDHHAIUSA-N 1 3 316.424 2.471 20 0 DEADHO C[NH+](C)[C@H](CC(=O)NCCN1CCCCC1)c1ccccc1 ZINC000431723278 282235539 /nfs/dbraw/zinc/23/55/39/282235539.db2.gz JBNZTQYVNUMKEP-QGZVFWFLSA-N 1 3 303.450 2.282 20 0 DEADHO CCc1ccc([C@H](CNC(=O)NC[C@H]([NH3+])C(C)C)N(C)C)cc1 ZINC000416839883 529723408 /nfs/dbraw/zinc/72/34/08/529723408.db2.gz KMGRXXVTCFVNGX-IRXDYDNUSA-N 1 3 320.481 2.134 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CCCN(C/C=C/Cl)CC1)[NH+](C)C ZINC001421838914 1172034475 /nfs/dbraw/zinc/03/44/75/1172034475.db2.gz YEKFLOLDUPSNMB-AOEIMKSNSA-N 1 3 315.889 2.296 20 0 DEADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448259787 529948445 /nfs/dbraw/zinc/94/84/45/529948445.db2.gz GWFSNDOPUMAXOC-CVEARBPZSA-N 1 3 324.513 2.090 20 0 DEADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448259787 529948446 /nfs/dbraw/zinc/94/84/46/529948446.db2.gz GWFSNDOPUMAXOC-CVEARBPZSA-N 1 3 324.513 2.090 20 0 DEADHO O=C(NCC12CCC[NH+]1CCC2)[C@@H]1CCCN1C1CCCC1 ZINC000614226217 362322479 /nfs/dbraw/zinc/32/24/79/362322479.db2.gz NEBSMJLYPQVPKY-INIZCTEOSA-N 1 3 305.466 2.138 20 0 DEADHO C[NH2+]CCC1CCN(C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000416837637 529960363 /nfs/dbraw/zinc/96/03/63/529960363.db2.gz XNSOXGHVOYFGMA-UHFFFAOYSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@@H](C(=O)N1CCC2(CC[NH2+]CC2)CC1)N1CCCCCC1 ZINC000357867391 295718010 /nfs/dbraw/zinc/71/80/10/295718010.db2.gz VEDYIBPROLWICO-INIZCTEOSA-N 1 3 307.482 2.243 20 0 DEADHO C[NH2+]CCCNC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000418285292 529967760 /nfs/dbraw/zinc/96/77/60/529967760.db2.gz OTWOQVSNXBTLEA-UHFFFAOYSA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)CC1 ZINC000245454840 282389914 /nfs/dbraw/zinc/38/99/14/282389914.db2.gz HOCARRLTOQLRIE-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cccc(CN(C)C)c1 ZINC000245433189 282387986 /nfs/dbraw/zinc/38/79/86/282387986.db2.gz PARODEPJMSWZJP-RHSMWYFYSA-N 1 3 303.450 2.160 20 0 DEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cccc(CN(C)C)c1 ZINC000245433189 282387990 /nfs/dbraw/zinc/38/79/90/282387990.db2.gz PARODEPJMSWZJP-RHSMWYFYSA-N 1 3 303.450 2.160 20 0 DEADHO CN(C)C1(CNC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000616341836 362831589 /nfs/dbraw/zinc/83/15/89/362831589.db2.gz SQYBWAWHPUOBTI-KRWDZBQOSA-N 1 3 315.461 2.076 20 0 DEADHO C[C@H](CCN(C)CC1CCOCC1)[N@H+](C)CC1CCOCC1 ZINC000156078773 539562715 /nfs/dbraw/zinc/56/27/15/539562715.db2.gz JCUBJJYFNRTZSZ-MRXNPFEDSA-N 1 3 312.498 2.482 20 0 DEADHO C[C@H](CCN(C)CC1CCOCC1)[N@@H+](C)CC1CCOCC1 ZINC000156078773 539562719 /nfs/dbraw/zinc/56/27/19/539562719.db2.gz JCUBJJYFNRTZSZ-MRXNPFEDSA-N 1 3 312.498 2.482 20 0 DEADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000158220138 539576724 /nfs/dbraw/zinc/57/67/24/539576724.db2.gz YWWYVERDENBNLI-SNPRPXQTSA-N 1 3 312.841 2.152 20 0 DEADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2ccc(Cl)cc2)CC[N@H+]1C ZINC000158220138 539576728 /nfs/dbraw/zinc/57/67/28/539576728.db2.gz YWWYVERDENBNLI-SNPRPXQTSA-N 1 3 312.841 2.152 20 0 DEADHO CCC[NH+]1CCC(NCCc2cccc(C(=O)N(C)C)c2)CC1 ZINC000165078489 539605776 /nfs/dbraw/zinc/60/57/76/539605776.db2.gz ODOVZYZBSLGKCT-UHFFFAOYSA-N 1 3 317.477 2.395 20 0 DEADHO CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000211692461 539724862 /nfs/dbraw/zinc/72/48/62/539724862.db2.gz ZKMFFZAVIGRELK-IAGOWNOFSA-N 1 3 303.450 2.141 20 0 DEADHO CC1CC[NH+](Cc2ccc(CNC(=O)CNC3CC3)cc2)CC1 ZINC000236633813 539737802 /nfs/dbraw/zinc/73/78/02/539737802.db2.gz JYMXKXCUJOGZLP-UHFFFAOYSA-N 1 3 315.461 2.287 20 0 DEADHO CC[NH+](CC)CCOc1ccc(NC(=O)[C@]2(F)CCNC2)cc1 ZINC000164307123 186155098 /nfs/dbraw/zinc/15/50/98/186155098.db2.gz PHNJZQKMKBRQTF-KRWDZBQOSA-N 1 3 323.412 2.047 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)N(C)Cc1ccccc1 ZINC000237465062 186293553 /nfs/dbraw/zinc/29/35/53/186293553.db2.gz JZAMQJXZIRIVBF-HYVNUMGLSA-N 1 3 303.450 2.141 20 0 DEADHO C[C@@H]1NCCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H]1C ZINC000262850287 186313215 /nfs/dbraw/zinc/31/32/15/186313215.db2.gz ZKWBRUVXJOSHGQ-BQFCYCMXSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1NCCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H]1C ZINC000262850287 186313216 /nfs/dbraw/zinc/31/32/16/186313216.db2.gz ZKWBRUVXJOSHGQ-BQFCYCMXSA-N 1 3 315.461 2.107 20 0 DEADHO CC[C@@H](C(=O)NCc1cccc(C[NH+](C)C)c1)N(CC)CC ZINC000266835624 186353767 /nfs/dbraw/zinc/35/37/67/186353767.db2.gz NPVASYRBGLULHK-KRWDZBQOSA-N 1 3 305.466 2.485 20 0 DEADHO CC(C)[N@H+](C)C[C@H](O)CN1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000319893555 539894636 /nfs/dbraw/zinc/89/46/36/539894636.db2.gz KJEJRRJURGPMNJ-BSDSXHPESA-N 1 3 312.498 2.093 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000319893555 539894638 /nfs/dbraw/zinc/89/46/38/539894638.db2.gz KJEJRRJURGPMNJ-BSDSXHPESA-N 1 3 312.498 2.093 20 0 DEADHO CC(C)N1CCC([NH2+][C@@H](C)C(=O)NCCc2cccs2)CC1 ZINC000173620354 198234037 /nfs/dbraw/zinc/23/40/37/198234037.db2.gz XYNOZWSFPKGXMP-AWEZNQCLSA-N 1 3 323.506 2.258 20 0 DEADHO C(CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1nnc2n1CCCCC2 ZINC000339067214 539986221 /nfs/dbraw/zinc/98/62/21/539986221.db2.gz FKUALAXMLBUQQT-HOTGVXAUSA-N 1 3 317.481 2.154 20 0 DEADHO C(CN[C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1nnc2n1CCCCC2 ZINC000339067214 539986222 /nfs/dbraw/zinc/98/62/22/539986222.db2.gz FKUALAXMLBUQQT-HOTGVXAUSA-N 1 3 317.481 2.154 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCN(C2CCCC2)CC1 ZINC000339242084 539987605 /nfs/dbraw/zinc/98/76/05/539987605.db2.gz IGRFLVCJYDERMW-INIZCTEOSA-N 1 3 307.482 2.338 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCC(=O)N1CCN(C2CCCC2)CC1 ZINC000339242084 539987609 /nfs/dbraw/zinc/98/76/09/539987609.db2.gz IGRFLVCJYDERMW-INIZCTEOSA-N 1 3 307.482 2.338 20 0 DEADHO CCC[C@@H](N)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000236784781 202007962 /nfs/dbraw/zinc/00/79/62/202007962.db2.gz UDVRYZLNLMCKCW-MRXNPFEDSA-N 1 3 307.438 2.473 20 0 DEADHO CCC[C@H](N)C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000236792677 202012006 /nfs/dbraw/zinc/01/20/06/202012006.db2.gz RZKUXDOKOWYSAU-MSOLQXFVSA-N 1 3 317.477 2.484 20 0 DEADHO CCC[C@H](N)C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000236792677 202012010 /nfs/dbraw/zinc/01/20/10/202012010.db2.gz RZKUXDOKOWYSAU-MSOLQXFVSA-N 1 3 317.477 2.484 20 0 DEADHO c1cc(N2CCN(CCC[NH2+][C@@H]3CC[C@H]3C3CC3)CC2)ccn1 ZINC000348070804 540020541 /nfs/dbraw/zinc/02/05/41/540020541.db2.gz WYZKVACAILGKOO-RBUKOAKNSA-N 1 3 314.477 2.372 20 0 DEADHO c1cc(N2CCN(CCC[NH2+][C@H]3CC[C@H]3C3CC3)CC2)ccn1 ZINC000348070799 540020580 /nfs/dbraw/zinc/02/05/80/540020580.db2.gz WYZKVACAILGKOO-OALUTQOASA-N 1 3 314.477 2.372 20 0 DEADHO C[C@@H](CNC(=O)NC1CCN(C2CC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000048394889 354351461 /nfs/dbraw/zinc/35/14/61/354351461.db2.gz QHLJTZDRDUCXGW-CABCVRRESA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](CNC(=O)NC1CCN(C2CC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000048394889 354351465 /nfs/dbraw/zinc/35/14/65/354351465.db2.gz QHLJTZDRDUCXGW-CABCVRRESA-N 1 3 322.497 2.033 20 0 DEADHO CC[NH+](CC)CCOc1ccc(C(=O)NC[C@@H](C)N(C)C)cc1 ZINC000058831634 354599486 /nfs/dbraw/zinc/59/94/86/354599486.db2.gz BGYMEICKWJIVRX-OAHLLOKOSA-N 1 3 321.465 2.087 20 0 DEADHO C[C@@H](C(=O)NCCC[NH+]1CCC(C)CC1)N1CCCCCC1 ZINC000074187039 355012533 /nfs/dbraw/zinc/01/25/33/355012533.db2.gz RZWPZOWVGQRCGV-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CC[NH+](CC)CCOC1CCN(CCn2nc(C)cc2C)CC1 ZINC000080645578 355376728 /nfs/dbraw/zinc/37/67/28/355376728.db2.gz AASJZNWXEDLPRR-UHFFFAOYSA-N 1 3 322.497 2.323 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1)c1ccco1 ZINC000418174410 540170094 /nfs/dbraw/zinc/17/00/94/540170094.db2.gz ZXXSCJUFCMOANS-LJISPDSOSA-N 1 3 322.453 2.278 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185790838 295904781 /nfs/dbraw/zinc/90/47/81/295904781.db2.gz VTJISZJMHZTDHH-INIZCTEOSA-N 1 3 324.513 2.282 20 0 DEADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)N(C)C)cc1 ZINC000417300263 540166091 /nfs/dbraw/zinc/16/60/91/540166091.db2.gz AGDMQOUKVVXBTR-ZACQAIPSSA-N 1 3 318.465 2.167 20 0 DEADHO CC[NH+](CC)C[C@@H](C)NC(=O)NCCN1CCCC(C)(C)C1 ZINC000444986446 540185237 /nfs/dbraw/zinc/18/52/37/540185237.db2.gz JOAZGTYVRWKIPS-OAHLLOKOSA-N 1 3 312.502 2.138 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H]3CCCC[C@@H]32)CC1 ZINC000114456051 355762464 /nfs/dbraw/zinc/76/24/64/355762464.db2.gz ZFHMCVHOWXWGDS-RDJZCZTQSA-N 1 3 307.482 2.240 20 0 DEADHO CC[C@@H](N)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000130461109 355842185 /nfs/dbraw/zinc/84/21/85/355842185.db2.gz BXICWZLDJNPQDG-QGZVFWFLSA-N 1 3 303.450 2.094 20 0 DEADHO CC[C@@H](N)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000130461109 355842189 /nfs/dbraw/zinc/84/21/89/355842189.db2.gz BXICWZLDJNPQDG-QGZVFWFLSA-N 1 3 303.450 2.094 20 0 DEADHO C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@@H](N)c1ccccc1 ZINC000370762865 283131290 /nfs/dbraw/zinc/13/12/90/283131290.db2.gz CENGYMQJXSAOPU-QILLFSRXSA-N 1 3 315.461 2.456 20 0 DEADHO C[C@H](C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)[C@@H](N)c1ccccc1 ZINC000370762865 283131295 /nfs/dbraw/zinc/13/12/95/283131295.db2.gz CENGYMQJXSAOPU-QILLFSRXSA-N 1 3 315.461 2.456 20 0 DEADHO C[C@H](CCNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)[NH+]1CCCCC1 ZINC000181941903 356101928 /nfs/dbraw/zinc/10/19/28/356101928.db2.gz QIESSLLKBSOZQE-BZUAXINKSA-N 1 3 322.497 2.175 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C2CCN(C3CC3)CC2)C1 ZINC000194699031 356243908 /nfs/dbraw/zinc/24/39/08/356243908.db2.gz PLGWFZMDWYMWEK-OAHLLOKOSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C2CCN(C3CC3)CC2)C1 ZINC000194699031 356243911 /nfs/dbraw/zinc/24/39/11/356243911.db2.gz PLGWFZMDWYMWEK-OAHLLOKOSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237660769 356299146 /nfs/dbraw/zinc/29/91/46/356299146.db2.gz KSOMPHRNCPHSLI-NVXWUHKLSA-N 1 3 303.450 2.457 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)[C@@H](C)[NH3+] ZINC000399540299 283153537 /nfs/dbraw/zinc/15/35/37/283153537.db2.gz WLMAFXVSKMJJSU-IDCNUPLLSA-N 1 3 317.477 2.385 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000618355578 363470712 /nfs/dbraw/zinc/47/07/12/363470712.db2.gz YQYLSXLOHFPOPX-SFHVURJKSA-N 1 3 317.477 2.102 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000618355578 363470716 /nfs/dbraw/zinc/47/07/16/363470716.db2.gz YQYLSXLOHFPOPX-SFHVURJKSA-N 1 3 317.477 2.102 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@]1(C)CC[NH2+]C1)c1ccccc1 ZINC000236837589 202033147 /nfs/dbraw/zinc/03/31/47/202033147.db2.gz QHJFLHYIUVOZLA-FUHWJXTLSA-N 1 3 303.450 2.185 20 0 DEADHO CCC[C@H]([NH3+])C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000236876723 202047457 /nfs/dbraw/zinc/04/74/57/202047457.db2.gz RTEWRVGYLOQOMD-SJORKVTESA-N 1 3 303.450 2.285 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCCN1)Cc1ccccc1 ZINC000236880224 202049214 /nfs/dbraw/zinc/04/92/14/202049214.db2.gz YFMXWGKMEJXJDG-ROUUACIJSA-N 1 3 317.477 2.198 20 0 DEADHO CCC[C@@H](N)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000236914376 202067956 /nfs/dbraw/zinc/06/79/56/202067956.db2.gz CTWDWKMYNOMXPD-GOSISDBHSA-N 1 3 317.477 2.484 20 0 DEADHO CCC[C@@H](N)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000236914376 202067960 /nfs/dbraw/zinc/06/79/60/202067960.db2.gz CTWDWKMYNOMXPD-GOSISDBHSA-N 1 3 317.477 2.484 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000423770308 283199750 /nfs/dbraw/zinc/19/97/50/283199750.db2.gz GPTKMFDXERKWDV-AWEZNQCLSA-N 1 3 309.479 2.028 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@H]2CCCC[NH2+]2)N(C)C)cc1 ZINC000236980846 202106191 /nfs/dbraw/zinc/10/61/91/202106191.db2.gz ABUVEPRZTHZYBF-SJORKVTESA-N 1 3 303.450 2.110 20 0 DEADHO CN(C)Cc1ccccc1CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237038423 202130198 /nfs/dbraw/zinc/13/01/98/202130198.db2.gz ZPKZSOUIXUAXCF-DODVFSASSA-N 1 3 315.461 2.285 20 0 DEADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000382834921 356677547 /nfs/dbraw/zinc/67/75/47/356677547.db2.gz MXIHHSGURVKICA-HOCLYGCPSA-N 1 3 323.481 2.483 20 0 DEADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000382834921 356677550 /nfs/dbraw/zinc/67/75/50/356677550.db2.gz MXIHHSGURVKICA-HOCLYGCPSA-N 1 3 323.481 2.483 20 0 DEADHO CC(C)[C@@H](C[NH3+])C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000382745686 356677771 /nfs/dbraw/zinc/67/77/71/356677771.db2.gz SUEXENFRUDULPZ-SJLPKXTDSA-N 1 3 317.477 2.340 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N1CCN(C)CC[C@H]1C ZINC000355398578 283211314 /nfs/dbraw/zinc/21/13/14/283211314.db2.gz BLJFPKVGHAFRMQ-MRXNPFEDSA-N 1 3 312.502 2.234 20 0 DEADHO CN(C)CCOc1ccc(NC(=O)CCCCCC[NH3+])cc1 ZINC000237184032 202180053 /nfs/dbraw/zinc/18/00/53/202180053.db2.gz VBOKBBLQZKHHHJ-UHFFFAOYSA-N 1 3 307.438 2.475 20 0 DEADHO CN(C)CCOc1ccc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000237197876 202186192 /nfs/dbraw/zinc/18/61/92/202186192.db2.gz JQENERDEBHWGJY-KGLIPLIRSA-N 1 3 305.422 2.083 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000578984911 356901747 /nfs/dbraw/zinc/90/17/47/356901747.db2.gz NCZKJNDLYWNTSG-IHRRRGAJSA-N 1 3 324.494 2.310 20 0 DEADHO C[NH2+]CCCC(=O)Nc1ccc(OCCN2CCCC2)c(C)c1 ZINC000237241177 202202259 /nfs/dbraw/zinc/20/22/59/202202259.db2.gz BQWDXSVMVXNTLS-UHFFFAOYSA-N 1 3 319.449 2.408 20 0 DEADHO O=C1NCC[C@H]1CCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000579854695 357044237 /nfs/dbraw/zinc/04/42/37/357044237.db2.gz IRFNHUQLSWXAAW-IRXDYDNUSA-N 1 3 307.482 2.101 20 0 DEADHO CN(Cc1ccccc1N(C)C1CCN(C)CC1)[C@H]1CC[NH2+]C1 ZINC000579712171 357019602 /nfs/dbraw/zinc/01/96/02/357019602.db2.gz ODYFLPVDVCMENI-SFHVURJKSA-N 1 3 316.493 2.011 20 0 DEADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000584717795 357296393 /nfs/dbraw/zinc/29/63/93/357296393.db2.gz IFLKCBJPWLBVET-HOTGVXAUSA-N 1 3 320.481 2.194 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(C(F)F)cc1 ZINC000590817176 357618471 /nfs/dbraw/zinc/61/84/71/357618471.db2.gz POKFMVJZUSQTHW-UHFFFAOYSA-N 1 3 313.392 2.190 20 0 DEADHO COC(=O)COc1ccccc1[C@@H](C)N[C@H]1CC12CC[NH2+]CC2 ZINC000591581209 357738499 /nfs/dbraw/zinc/73/84/99/357738499.db2.gz NSBJZTJKNVPGHZ-CJNGLKHVSA-N 1 3 318.417 2.031 20 0 DEADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000661404854 540319558 /nfs/dbraw/zinc/31/95/58/540319558.db2.gz SBPPWGTWEAKTEF-OAGGEKHMSA-N 1 3 322.497 2.127 20 0 DEADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CNC3)[C@@H]1C ZINC000423395775 291122767 /nfs/dbraw/zinc/12/27/67/291122767.db2.gz RYGOORBYHJVBEF-IFIJOSMWSA-N 1 3 302.418 2.357 20 0 DEADHO CCOc1c(CN[C@@H]2CC23CC[NH2+]CC3)c(C)nn1CC(C)C ZINC000666952029 540368674 /nfs/dbraw/zinc/36/86/74/540368674.db2.gz CHGCDJWHBCPTTR-MRXNPFEDSA-N 1 3 320.481 2.478 20 0 DEADHO c1ccc(N2CCC([NH2+][C@H]3CCNC4(CCC4)C3)CC2)nc1 ZINC000666995176 540377296 /nfs/dbraw/zinc/37/72/96/540377296.db2.gz FHNFNNIAKXDKPD-INIZCTEOSA-N 1 3 300.450 2.315 20 0 DEADHO CN(c1ccccc1CN1CC[C@](C)(O)C1)C1CC[NH+](C)CC1 ZINC000180193452 199128435 /nfs/dbraw/zinc/12/84/35/199128435.db2.gz SJVMEDBTWXLNTK-IBGZPJMESA-N 1 3 317.477 2.174 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)N1CCCCC1 ZINC000594695185 358320420 /nfs/dbraw/zinc/32/04/20/358320420.db2.gz MUFLTYZODCVOTO-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCCCC1 ZINC000594695185 358320424 /nfs/dbraw/zinc/32/04/24/358320424.db2.gz MUFLTYZODCVOTO-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO CCN(CC[NH3+])C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000626985574 366390919 /nfs/dbraw/zinc/39/09/19/366390919.db2.gz XAEGSIPUOUXRCO-ZFWWWQNUSA-N 1 3 324.494 2.121 20 0 DEADHO c1cc2n(n1)C[C@H](C[NH2+]C1CCN(CC3CCCC3)CC1)CN2 ZINC000595154701 358396434 /nfs/dbraw/zinc/39/64/34/358396434.db2.gz VOCQYMWPFDHQRB-MRXNPFEDSA-N 1 3 317.481 2.169 20 0 DEADHO c1cc2n(n1)C[C@H](CNC1CC[NH+](CC3CCCC3)CC1)CN2 ZINC000595154701 358396436 /nfs/dbraw/zinc/39/64/36/358396436.db2.gz VOCQYMWPFDHQRB-MRXNPFEDSA-N 1 3 317.481 2.169 20 0 DEADHO CCC[NH2+]CCNC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000416841700 283388327 /nfs/dbraw/zinc/38/83/27/283388327.db2.gz MKAWGWIOHZAMAT-KRWDZBQOSA-N 1 3 320.481 2.151 20 0 DEADHO Cc1ccc(CCC[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cn1 ZINC000428278657 237120020 /nfs/dbraw/zinc/12/00/20/237120020.db2.gz SSIRWHJFWVJARZ-SFHVURJKSA-N 1 3 317.477 2.413 20 0 DEADHO C[C@@H](CNC(=O)Nc1cccc(C[NH3+])c1)N1CCC(C)CC1 ZINC000667729871 540515617 /nfs/dbraw/zinc/51/56/17/540515617.db2.gz ZMPQZFIVNDYZNS-AWEZNQCLSA-N 1 3 304.438 2.387 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1occc1C ZINC000667811854 540532614 /nfs/dbraw/zinc/53/26/14/540532614.db2.gz XYDXNTRLJQCWAG-INIZCTEOSA-N 1 3 321.465 2.005 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1occc1C ZINC000667811854 540532617 /nfs/dbraw/zinc/53/26/17/540532617.db2.gz XYDXNTRLJQCWAG-INIZCTEOSA-N 1 3 321.465 2.005 20 0 DEADHO C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1ccc(OCCN(C)C)cc1 ZINC000187682674 200144613 /nfs/dbraw/zinc/14/46/13/200144613.db2.gz PPEOXNXUCFXSCU-XKQJLSEDSA-N 1 3 306.450 2.437 20 0 DEADHO CCOC(=O)C1(C)CC(NC[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000601284230 359994436 /nfs/dbraw/zinc/99/44/36/359994436.db2.gz HANFVUNRJXMIEZ-KLHKWILBSA-N 1 3 308.466 2.430 20 0 DEADHO CCOC(=O)C1(C)CC(NC[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000601284230 359994437 /nfs/dbraw/zinc/99/44/37/359994437.db2.gz HANFVUNRJXMIEZ-KLHKWILBSA-N 1 3 308.466 2.430 20 0 DEADHO CCOC(=O)C1(C)CC([NH2+]C[C@H]2CCCN(CC3CC3)C2)C1 ZINC000601284230 359994440 /nfs/dbraw/zinc/99/44/40/359994440.db2.gz HANFVUNRJXMIEZ-KLHKWILBSA-N 1 3 308.466 2.430 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)cc1 ZINC000668594393 540695374 /nfs/dbraw/zinc/69/53/74/540695374.db2.gz BXENVMAPJKVASX-WMZOPIPTSA-N 1 3 304.434 2.095 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+]2C[C@H]3COC[C@]3(C)C2)cc1 ZINC000668594393 540695377 /nfs/dbraw/zinc/69/53/77/540695377.db2.gz BXENVMAPJKVASX-WMZOPIPTSA-N 1 3 304.434 2.095 20 0 DEADHO COC(=O)c1ccc(C[NH2+]CC2(CN(C)C)CCCC2)n1C ZINC000602017537 360241611 /nfs/dbraw/zinc/24/16/11/360241611.db2.gz OMNROGXLXKBTME-UHFFFAOYSA-N 1 3 307.438 2.023 20 0 DEADHO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000439838063 296017658 /nfs/dbraw/zinc/01/76/58/296017658.db2.gz AZXGFQCBXRPTOZ-ROUUACIJSA-N 1 3 319.493 2.480 20 0 DEADHO O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000439838063 296017660 /nfs/dbraw/zinc/01/76/60/296017660.db2.gz AZXGFQCBXRPTOZ-ROUUACIJSA-N 1 3 319.493 2.480 20 0 DEADHO CC[C@@H]1CN(C(=O)NCCN2[C@H](C)CCC[C@H]2C)CC[C@H]1[NH3+] ZINC000669469296 540838967 /nfs/dbraw/zinc/83/89/67/540838967.db2.gz WJBGUIOKWKDPKD-KLHDSHLOSA-N 1 3 310.486 2.018 20 0 DEADHO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1oc2ccccc2c1CN(C)C ZINC000193567840 201077680 /nfs/dbraw/zinc/07/76/80/201077680.db2.gz SZJJKBMBLTXBBP-DOMZBBRYSA-N 1 3 315.417 2.365 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CCC)C1 ZINC001120448845 781942571 /nfs/dbraw/zinc/94/25/71/781942571.db2.gz HGIXMRNQJSHVOW-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CCC)C1 ZINC001120448845 781942580 /nfs/dbraw/zinc/94/25/80/781942580.db2.gz HGIXMRNQJSHVOW-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO Cc1ccc(CN(C)C)cc1NC(=O)c1csc(CC[NH3+])n1 ZINC000194839690 201298614 /nfs/dbraw/zinc/29/86/14/201298614.db2.gz QJVCEHRCWMNKBS-UHFFFAOYSA-N 1 3 318.446 2.267 20 0 DEADHO CC[C@@H](CN1CCCC1)NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000675196894 541300747 /nfs/dbraw/zinc/30/07/47/541300747.db2.gz HUPUOYXXUMKQCZ-IRXDYDNUSA-N 1 3 322.497 2.131 20 0 DEADHO CC(C)[C@H]1CN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC[NH2+]1 ZINC000621152159 364280916 /nfs/dbraw/zinc/28/09/16/364280916.db2.gz QMWSBVQFJGDLIA-QZTJIDSGSA-N 1 3 315.461 2.107 20 0 DEADHO O=C(CC[C@H]1CCC[NH2+]C1)N1CCC[C@@H]1CN1CCCCC1 ZINC000621642174 364486892 /nfs/dbraw/zinc/48/68/92/364486892.db2.gz GUZYSUJFNWVOTD-IAGOWNOFSA-N 1 3 307.482 2.243 20 0 DEADHO CC1CCC(N2CCN(C(=O)CC[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000621647654 364488008 /nfs/dbraw/zinc/48/80/08/364488008.db2.gz LXMGMWHQRVOCFH-LXPRWKDFSA-N 1 3 321.509 2.489 20 0 DEADHO C[NH2+]C[C@@H]1CCCN(C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000623054734 364869997 /nfs/dbraw/zinc/86/99/97/364869997.db2.gz XZKHMVANEAWGGA-HNNXBMFYSA-N 1 3 304.438 2.212 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000623058583 364871177 /nfs/dbraw/zinc/87/11/77/364871177.db2.gz GHMOZHAZLNEQAT-ZBFHGGJFSA-N 1 3 304.438 2.387 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)c1 ZINC000623063596 364872271 /nfs/dbraw/zinc/87/22/71/364872271.db2.gz HSWNYMZKWIXUPP-PBHICJAKSA-N 1 3 302.422 2.093 20 0 DEADHO CN(C)CCN(C)CCC[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000623088604 364882310 /nfs/dbraw/zinc/88/23/10/364882310.db2.gz VHLMBHDORWPZFY-UHFFFAOYSA-N 1 3 315.465 2.050 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000449153414 240133537 /nfs/dbraw/zinc/13/35/37/240133537.db2.gz JQSHYBXTCARXOG-INMHGKMJSA-N 1 3 303.450 2.154 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000449153415 240136618 /nfs/dbraw/zinc/13/66/18/240136618.db2.gz JQSHYBXTCARXOG-UXLLHSPISA-N 1 3 303.450 2.154 20 0 DEADHO O[C@@H]1CCC[C@@H]1[NH+]1CCC(NCc2cccc3n[nH]cc32)CC1 ZINC000623453566 365035233 /nfs/dbraw/zinc/03/52/33/365035233.db2.gz VFPYCHIZACJBDM-ZWKOTPCHSA-N 1 3 314.433 2.030 20 0 DEADHO Cn1cc(C[NH2+]C[C@H]2CCCCN(C)C2)c(-c2ccncc2)n1 ZINC000623656292 365118767 /nfs/dbraw/zinc/11/87/67/365118767.db2.gz RGOPPPMHOHZGOL-OAHLLOKOSA-N 1 3 313.449 2.304 20 0 DEADHO CN1CCCC[C@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000623655739 365119371 /nfs/dbraw/zinc/11/93/71/365119371.db2.gz DEKFJCDGVYKBSP-CYBMUJFWSA-N 1 3 307.404 2.335 20 0 DEADHO C[N@@H+]1CCCC[C@H](CNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000623949424 365230766 /nfs/dbraw/zinc/23/07/66/365230766.db2.gz RHENLJCGTXYXMM-WBVHZDCISA-N 1 3 322.497 2.034 20 0 DEADHO C[N@H+]1CCCC[C@H](CNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000623949424 365230773 /nfs/dbraw/zinc/23/07/73/365230773.db2.gz RHENLJCGTXYXMM-WBVHZDCISA-N 1 3 322.497 2.034 20 0 DEADHO C[N@@H+]1CCC[C@@H](CCNC(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000624194525 365328686 /nfs/dbraw/zinc/32/86/86/365328686.db2.gz JZOGGAAOLWNOAY-DOTOQJQBSA-N 1 3 322.497 2.034 20 0 DEADHO C[N@H+]1CCC[C@@H](CCNC(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000624194525 365328689 /nfs/dbraw/zinc/32/86/89/365328689.db2.gz JZOGGAAOLWNOAY-DOTOQJQBSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H](NC[C@H]1CCCC[N@H+](C)C1)c1cccc(-n2cnnn2)c1 ZINC000624119678 365296267 /nfs/dbraw/zinc/29/62/67/365296267.db2.gz GVTKGNNHVMYRSX-HUUCEWRRSA-N 1 3 314.437 2.045 20 0 DEADHO C[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)c1cccc(-n2cnnn2)c1 ZINC000624119678 365296268 /nfs/dbraw/zinc/29/62/68/365296268.db2.gz GVTKGNNHVMYRSX-HUUCEWRRSA-N 1 3 314.437 2.045 20 0 DEADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccc(-n2cnnn2)c1 ZINC000624119678 365296273 /nfs/dbraw/zinc/29/62/73/365296273.db2.gz GVTKGNNHVMYRSX-HUUCEWRRSA-N 1 3 314.437 2.045 20 0 DEADHO Cc1nc([C@H](C)NC2CCN(CC[NH+](C)C)CC2)c(C)s1 ZINC000676489381 541457961 /nfs/dbraw/zinc/45/79/61/541457961.db2.gz JWSATPAQBGEAIR-LBPRGKRZSA-N 1 3 310.511 2.437 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N(C3CC3)C3CC3)CC2)CC1 ZINC000628814635 366977793 /nfs/dbraw/zinc/97/77/93/366977793.db2.gz KMVHEGFQRYZVSO-UHFFFAOYSA-N 1 3 319.493 2.336 20 0 DEADHO CN1CCC[C@H]1CNC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000629454140 367203570 /nfs/dbraw/zinc/20/35/70/367203570.db2.gz WFTUFPCFDNUNHH-ZWKOTPCHSA-N 1 3 315.461 2.076 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)CN(C)C2CCC2)[NH+](C)C)cc1 ZINC000629943443 367387296 /nfs/dbraw/zinc/38/72/96/367387296.db2.gz LBNFWIRMPHLRMD-GOSISDBHSA-N 1 3 317.477 2.452 20 0 DEADHO C[C@H]([NH2+]C[C@H]1CCNC(=O)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000450729454 242154699 /nfs/dbraw/zinc/15/46/99/242154699.db2.gz SFXCVSNWWOZKKF-ARFHVFGLSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCN(CC(C)(C)O)C[C@H]1C ZINC000450810421 242251432 /nfs/dbraw/zinc/25/14/32/242251432.db2.gz MMAJEQWJZDUHRI-IAGOWNOFSA-N 1 3 311.514 2.026 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1CN1CCN(CC(C)(C)O)C[C@H]1C ZINC000450810421 242251440 /nfs/dbraw/zinc/25/14/40/242251440.db2.gz MMAJEQWJZDUHRI-IAGOWNOFSA-N 1 3 311.514 2.026 20 0 DEADHO CCO[C@H]1C[C@@H]([NH2+]CCCN2CCN(C(C)C)CC2)C12CCC2 ZINC000451481264 243009187 /nfs/dbraw/zinc/00/91/87/243009187.db2.gz RBTMUZSYURJIOP-MSOLQXFVSA-N 1 3 323.525 2.340 20 0 DEADHO Cc1cc(C[N@@H+]2CC[C@H](n3cc(CN)nn3)C2)c2ccccc2n1 ZINC000631846055 368422746 /nfs/dbraw/zinc/42/27/46/368422746.db2.gz ROZRJPRGMCMWIC-INIZCTEOSA-N 1 3 322.416 2.040 20 0 DEADHO Cc1cc(C[N@H+]2CC[C@H](n3cc(CN)nn3)C2)c2ccccc2n1 ZINC000631846055 368422751 /nfs/dbraw/zinc/42/27/51/368422751.db2.gz ROZRJPRGMCMWIC-INIZCTEOSA-N 1 3 322.416 2.040 20 0 DEADHO C[NH+](C)CC1CCN(Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000678139263 541684033 /nfs/dbraw/zinc/68/40/33/541684033.db2.gz NWWALNDAJSTZIW-UHFFFAOYSA-N 1 3 315.461 2.352 20 0 DEADHO C[C@@]1(O)CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000678295410 541709130 /nfs/dbraw/zinc/70/91/30/541709130.db2.gz ZAOLKGKKYNOZSM-GOSISDBHSA-N 1 3 304.434 2.118 20 0 DEADHO c1ccc(C[N@@H+]2CC[C@H](N3CCN(c4ccncc4)CC3)C2)cc1 ZINC000678348788 541716518 /nfs/dbraw/zinc/71/65/18/541716518.db2.gz AYUFDCONVWNYJC-FQEVSTJZSA-N 1 3 322.456 2.478 20 0 DEADHO c1ccc(C[N@H+]2CC[C@H](N3CCN(c4ccncc4)CC3)C2)cc1 ZINC000678348788 541716520 /nfs/dbraw/zinc/71/65/20/541716520.db2.gz AYUFDCONVWNYJC-FQEVSTJZSA-N 1 3 322.456 2.478 20 0 DEADHO COc1cc(OC)c(OC)cc1CN(C)CC1CC[NH+](C)CC1 ZINC000093089006 193201987 /nfs/dbraw/zinc/20/19/87/193201987.db2.gz VIGUEYFJHLRJJR-UHFFFAOYSA-N 1 3 322.449 2.486 20 0 DEADHO C[C@H]([NH2+][C@@H](CO)CC1CC1)c1ccc(OCCN(C)C)cc1 ZINC000678607580 541750548 /nfs/dbraw/zinc/75/05/48/541750548.db2.gz QUFTXAIMFBNODP-WMLDXEAASA-N 1 3 306.450 2.439 20 0 DEADHO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)C1CCN(C)CC1 ZINC000678583231 541747405 /nfs/dbraw/zinc/74/74/05/541747405.db2.gz YCAXRBQVSPBAGY-YJBOKZPZSA-N 1 3 315.461 2.107 20 0 DEADHO CNCc1cccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])c1 ZINC000262205352 203228433 /nfs/dbraw/zinc/22/84/33/203228433.db2.gz NMKHUAQPZJMQRV-KWOWKCNFSA-N 1 3 301.434 2.498 20 0 DEADHO CCCN1CCC([NH2+][C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000678773329 541764021 /nfs/dbraw/zinc/76/40/21/541764021.db2.gz XKZGXHPVMSPZRK-QGZVFWFLSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC[NH2+]1 ZINC000262332564 203264100 /nfs/dbraw/zinc/26/41/00/203264100.db2.gz FPAUOMXZBRUECU-KKXDTOCCSA-N 1 3 311.429 2.344 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)N(C)C)cc1 ZINC000262457843 203300437 /nfs/dbraw/zinc/30/04/37/203300437.db2.gz VKSSYJPKTGNJRP-JCGIZDLHSA-N 1 3 317.477 2.356 20 0 DEADHO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000262546823 203325817 /nfs/dbraw/zinc/32/58/17/203325817.db2.gz VNUNUVPNZXFMHY-QWHCGFSZSA-N 1 3 304.438 2.115 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)[C@H](N)c2ccccc2)C1 ZINC000262683528 203380642 /nfs/dbraw/zinc/38/06/42/203380642.db2.gz ZCBGHPAOAPUQGP-JZXOWHBKSA-N 1 3 317.477 2.417 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H](C)[C@H](N)c2ccccc2)C1 ZINC000262683528 203380645 /nfs/dbraw/zinc/38/06/45/203380645.db2.gz ZCBGHPAOAPUQGP-JZXOWHBKSA-N 1 3 317.477 2.417 20 0 DEADHO CCC[C@@](C)(N)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000262694601 203384127 /nfs/dbraw/zinc/38/41/27/203384127.db2.gz CGYFDUWQJCUKER-GOSISDBHSA-N 1 3 321.465 2.151 20 0 DEADHO CCC[C@](C)(N)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000262707936 203388836 /nfs/dbraw/zinc/38/88/36/203388836.db2.gz NWJMPQGGWQXPRW-MJGOQNOKSA-N 1 3 317.477 2.185 20 0 DEADHO CCC[C@](C)(N)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000262707936 203388837 /nfs/dbraw/zinc/38/88/37/203388837.db2.gz NWJMPQGGWQXPRW-MJGOQNOKSA-N 1 3 317.477 2.185 20 0 DEADHO CCC[C@](C)(N)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000262707934 203389639 /nfs/dbraw/zinc/38/96/39/203389639.db2.gz NWJMPQGGWQXPRW-HKUYNNGSSA-N 1 3 317.477 2.185 20 0 DEADHO CCC[C@](C)(N)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000262707934 203389641 /nfs/dbraw/zinc/38/96/41/203389641.db2.gz NWJMPQGGWQXPRW-HKUYNNGSSA-N 1 3 317.477 2.185 20 0 DEADHO C[C@H](CC[NH+](C)C)NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000271762813 209192603 /nfs/dbraw/zinc/19/26/03/209192603.db2.gz BLEACSMUOLUVFB-HZPDHXFCSA-N 1 3 320.481 2.146 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001369419574 1148964030 /nfs/dbraw/zinc/96/40/30/1148964030.db2.gz KLVKMDDTLFXDIW-HOTGVXAUSA-N 1 3 311.514 2.495 20 0 DEADHO C[C@@H](CCC[NH3+])N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000530222671 284377948 /nfs/dbraw/zinc/37/79/48/284377948.db2.gz SUXDVFJMBPRDGI-GXFFZTMASA-N 1 3 313.804 2.301 20 0 DEADHO CCCCNc1cc(C)nc(N[C@@H](C)[C@H]2CN(C)CCN2C)n1 ZINC001354267193 1151880957 /nfs/dbraw/zinc/88/09/57/1151880957.db2.gz WQHHQABSFAYMEE-LSDHHAIUSA-N 1 3 320.485 2.043 20 0 DEADHO CCCCNc1cc(C)nc(N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)n1 ZINC001354267193 1151880960 /nfs/dbraw/zinc/88/09/60/1151880960.db2.gz WQHHQABSFAYMEE-LSDHHAIUSA-N 1 3 320.485 2.043 20 0 DEADHO CCCCNc1cc(C)nc(N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)n1 ZINC001354267193 1151880962 /nfs/dbraw/zinc/88/09/62/1151880962.db2.gz WQHHQABSFAYMEE-LSDHHAIUSA-N 1 3 320.485 2.043 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000267399030 206036816 /nfs/dbraw/zinc/03/68/16/206036816.db2.gz JDECXLVZMMPOOB-AEFFLSMTSA-N 1 3 317.477 2.353 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000267399030 206036821 /nfs/dbraw/zinc/03/68/21/206036821.db2.gz JDECXLVZMMPOOB-AEFFLSMTSA-N 1 3 317.477 2.353 20 0 DEADHO Cc1cc(NC(=O)C2CC[NH+](C)CC2)ccc1OCCN(C)C ZINC000458188041 248194988 /nfs/dbraw/zinc/19/49/88/248194988.db2.gz BRNPHHFUWUSMHT-UHFFFAOYSA-N 1 3 319.449 2.216 20 0 DEADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCCCC[NH+]1CCCC1 ZINC000458838468 248516991 /nfs/dbraw/zinc/51/69/91/248516991.db2.gz CGTLHCDVTHPQMM-IRXDYDNUSA-N 1 3 324.513 2.234 20 0 DEADHO CN(C)C/C=C/C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000492922171 249173456 /nfs/dbraw/zinc/17/34/56/249173456.db2.gz KFKBFLHKSTVDQB-PWNOGMSSSA-N 1 3 315.461 2.304 20 0 DEADHO CN(C)C/C=C/C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000492922171 249173458 /nfs/dbraw/zinc/17/34/58/249173458.db2.gz KFKBFLHKSTVDQB-PWNOGMSSSA-N 1 3 315.461 2.304 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H](N)C2CCC2)C1 ZINC000423365302 296313521 /nfs/dbraw/zinc/31/35/21/296313521.db2.gz WOCZAKATTHNNGL-BFYDXBDKSA-N 1 3 307.482 2.227 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H](N)C2CCC2)C1 ZINC000423365302 296313522 /nfs/dbraw/zinc/31/35/22/296313522.db2.gz WOCZAKATTHNNGL-BFYDXBDKSA-N 1 3 307.482 2.227 20 0 DEADHO CC(C)[C@@H](N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000269254120 207394119 /nfs/dbraw/zinc/39/41/19/207394119.db2.gz IOEQHLAWGAFGSL-WMLDXEAASA-N 1 3 319.449 2.329 20 0 DEADHO CC(C)[C@@H](N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000269254120 207394129 /nfs/dbraw/zinc/39/41/29/207394129.db2.gz IOEQHLAWGAFGSL-WMLDXEAASA-N 1 3 319.449 2.329 20 0 DEADHO C[C@@]1(CNC(=O)c2cccc(CN3CCCC3)c2)CCC[NH2+]C1 ZINC000272936402 210322528 /nfs/dbraw/zinc/32/25/28/210322528.db2.gz BHJMQIRFUWDRAS-LJQANCHMSA-N 1 3 315.461 2.402 20 0 DEADHO COC1(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)CCCCC1 ZINC000682996546 542388423 /nfs/dbraw/zinc/38/84/23/542388423.db2.gz DCESZOONTNMLMH-KRWDZBQOSA-N 1 3 309.498 2.048 20 0 DEADHO COC1(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CCCCC1 ZINC000682996546 542388427 /nfs/dbraw/zinc/38/84/27/542388427.db2.gz DCESZOONTNMLMH-KRWDZBQOSA-N 1 3 309.498 2.048 20 0 DEADHO CSc1nnc(CCCN[C@@H]2CCC[C@H]2[NH3+])n1CC(C)C ZINC000422730348 533086850 /nfs/dbraw/zinc/08/68/50/533086850.db2.gz MCLYVDODALJRSB-CHWSQXEVSA-N 1 3 311.499 2.058 20 0 DEADHO C[C@@H]1C[C@H](NCc2ccncc2OCCC[NH+](C)C)CCO1 ZINC000288720315 220370733 /nfs/dbraw/zinc/37/07/33/220370733.db2.gz ZVAWFOGNUCOBFW-GDBMZVCRSA-N 1 3 307.438 2.069 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000339463634 285201571 /nfs/dbraw/zinc/20/15/71/285201571.db2.gz DLZNAHCRQOAQEK-IRXDYDNUSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000246635312 285237119 /nfs/dbraw/zinc/23/71/19/285237119.db2.gz OJQBKIGTNOCOJB-USXIJHARSA-N 1 3 303.450 2.265 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000246635312 285237121 /nfs/dbraw/zinc/23/71/21/285237121.db2.gz OJQBKIGTNOCOJB-USXIJHARSA-N 1 3 303.450 2.265 20 0 DEADHO CC[N@H+](C)CCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000120756688 195231642 /nfs/dbraw/zinc/23/16/42/195231642.db2.gz HJUNTALVYCARLX-QGZVFWFLSA-N 1 3 318.465 2.074 20 0 DEADHO CC[N@@H+](C)CCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000120756688 195231643 /nfs/dbraw/zinc/23/16/43/195231643.db2.gz HJUNTALVYCARLX-QGZVFWFLSA-N 1 3 318.465 2.074 20 0 DEADHO COC[C@@H](NCC1(O)CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000289769666 221213679 /nfs/dbraw/zinc/21/36/79/221213679.db2.gz NJKLMZDQUOAKIC-OAHLLOKOSA-N 1 3 312.841 2.074 20 0 DEADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000289782157 221223270 /nfs/dbraw/zinc/22/32/70/221223270.db2.gz JEEYTVPFVPFTNN-OAHLLOKOSA-N 1 3 323.868 2.230 20 0 DEADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000289841010 221262953 /nfs/dbraw/zinc/26/29/53/221262953.db2.gz KHECOGCSLRXYDA-BPQIPLTHSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CN1Cc1ccccc1 ZINC000290036590 221392805 /nfs/dbraw/zinc/39/28/05/221392805.db2.gz ULWRHBFGVSONDE-BURFUSLBSA-N 1 3 315.461 2.154 20 0 DEADHO C[C@@H](NC1CC1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000294821743 533334301 /nfs/dbraw/zinc/33/43/01/533334301.db2.gz RMLHSVFBUZBZPW-OAHLLOKOSA-N 1 3 315.461 2.429 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)NC1CC[NH+](CC)CC1 ZINC000562203321 291971338 /nfs/dbraw/zinc/97/13/38/291971338.db2.gz YHSQZKWAEQDMAX-UHFFFAOYSA-N 1 3 324.513 2.378 20 0 DEADHO COC(C)(C)[C@@H](C)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000340191744 131079245 /nfs/dbraw/zinc/07/92/45/131079245.db2.gz VXKBMTCDVXILQU-MRXNPFEDSA-N 1 3 319.493 2.337 20 0 DEADHO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCCN(C)CC1)c1ccco1 ZINC000357521297 133082856 /nfs/dbraw/zinc/08/28/56/133082856.db2.gz QROKMBVTWZGOAO-LSDHHAIUSA-N 1 3 322.453 2.056 20 0 DEADHO C[C@H](NC(=O)NCCC[N@@H+]1CCCC[C@H]1C)C1=CCN(C)CC1 ZINC000357819355 133102674 /nfs/dbraw/zinc/10/26/74/133102674.db2.gz WDSLUWQMEDEOHE-CVEARBPZSA-N 1 3 322.497 2.201 20 0 DEADHO C[C@H](NC(=O)NCCC[N@H+]1CCCC[C@H]1C)C1=CCN(C)CC1 ZINC000357819355 133102675 /nfs/dbraw/zinc/10/26/75/133102675.db2.gz WDSLUWQMEDEOHE-CVEARBPZSA-N 1 3 322.497 2.201 20 0 DEADHO C[C@H](CNC(=O)N[C@@H](C)C1=CCN(C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000357858205 133105505 /nfs/dbraw/zinc/10/55/05/133105505.db2.gz UVAKTMFNOYKPOW-OAGGEKHMSA-N 1 3 322.497 2.056 20 0 DEADHO C[C@H](CNC(=O)N[C@@H](C)C1=CCN(C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000357858205 133105506 /nfs/dbraw/zinc/10/55/06/133105506.db2.gz UVAKTMFNOYKPOW-OAGGEKHMSA-N 1 3 322.497 2.056 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000357873716 133106786 /nfs/dbraw/zinc/10/67/86/133106786.db2.gz QKTJAEXJNSYVMU-PMPSAXMXSA-N 1 3 322.497 2.056 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000357873716 133106787 /nfs/dbraw/zinc/10/67/87/133106787.db2.gz QKTJAEXJNSYVMU-PMPSAXMXSA-N 1 3 322.497 2.056 20 0 DEADHO O=C(NCCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000358100751 133121205 /nfs/dbraw/zinc/12/12/05/133121205.db2.gz SXBVXQPWLBFAJC-IRXDYDNUSA-N 1 3 319.424 2.162 20 0 DEADHO O=C(NCCCN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000358100751 133121206 /nfs/dbraw/zinc/12/12/06/133121206.db2.gz SXBVXQPWLBFAJC-IRXDYDNUSA-N 1 3 319.424 2.162 20 0 DEADHO COC1(CNC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CCCC1 ZINC000359698174 133139650 /nfs/dbraw/zinc/13/96/50/133139650.db2.gz DQCPTEBHDDGEFK-IRXDYDNUSA-N 1 3 310.482 2.303 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)C1 ZINC000362349645 133225120 /nfs/dbraw/zinc/22/51/20/133225120.db2.gz WEAKJNGZGATNEU-ZACQAIPSSA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)C1 ZINC000362349645 133225121 /nfs/dbraw/zinc/22/51/21/133225121.db2.gz WEAKJNGZGATNEU-ZACQAIPSSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@]1(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC[NH2+]C1 ZINC000362573872 133239390 /nfs/dbraw/zinc/23/93/90/133239390.db2.gz XYSRSEBBWGFLJG-ZDUSSCGKSA-N 1 3 301.312 2.102 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000362606463 133241453 /nfs/dbraw/zinc/24/14/53/133241453.db2.gz OSUASKYAAJEEQL-LMSBXDPUSA-N 1 3 315.461 2.136 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000362606463 133241454 /nfs/dbraw/zinc/24/14/54/133241454.db2.gz OSUASKYAAJEEQL-LMSBXDPUSA-N 1 3 315.461 2.136 20 0 DEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000372484536 133355275 /nfs/dbraw/zinc/35/52/75/133355275.db2.gz KAPQRGCGPHVDLD-MSOLQXFVSA-N 1 3 317.477 2.055 20 0 DEADHO NCc1cc(NC(=O)[C@H]2C[C@]23CC[NH2+]C3)cc(C(F)(F)F)c1 ZINC000373366533 133387947 /nfs/dbraw/zinc/38/79/47/133387947.db2.gz SMJUQCXMYKYWLF-OCCSQVGLSA-N 1 3 313.323 2.102 20 0 DEADHO C[NH+](C)C[C@@H]1CCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000563097632 292031153 /nfs/dbraw/zinc/03/11/53/292031153.db2.gz ZICBUYHJPHRRLG-GOEBONIOSA-N 1 3 303.450 2.123 20 0 DEADHO Cc1cccc(C)c1OC[C@H](O)CNC1CC[NH+](C2CC2)CC1 ZINC000563095586 292031243 /nfs/dbraw/zinc/03/12/43/292031243.db2.gz DIAQFRDUDJMARR-GOSISDBHSA-N 1 3 318.461 2.260 20 0 DEADHO [NH3+]C[C@@H]1CCCN(CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000564988118 292125085 /nfs/dbraw/zinc/12/50/85/292125085.db2.gz KIVHRYFWGKRNFI-NSHDSACASA-N 1 3 313.804 2.478 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000246525129 145105274 /nfs/dbraw/zinc/10/52/74/145105274.db2.gz WBKCJKMBYYMRGW-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000246525129 145105276 /nfs/dbraw/zinc/10/52/76/145105276.db2.gz WBKCJKMBYYMRGW-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO FC(F)(F)CN1CC[C@H](CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000252514568 145198998 /nfs/dbraw/zinc/19/89/98/145198998.db2.gz OHUWNWITXRRIQU-HZSPNIEDSA-N 1 3 305.388 2.087 20 0 DEADHO FC(F)(F)CN1CC[C@H](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000252514568 145199001 /nfs/dbraw/zinc/19/90/01/145199001.db2.gz OHUWNWITXRRIQU-HZSPNIEDSA-N 1 3 305.388 2.087 20 0 DEADHO C[C@@H]([NH3+])CC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000261715489 145220297 /nfs/dbraw/zinc/22/02/97/145220297.db2.gz DUSZCYOJRBYZPU-APWZRJJASA-N 1 3 315.461 2.238 20 0 DEADHO COc1ccc(CN2CCC([C@H](C)[NH3+])CC2)c(OC)c1OC ZINC000261913985 145241094 /nfs/dbraw/zinc/24/10/94/145241094.db2.gz GOSPKYYZEJPSKG-LBPRGKRZSA-N 1 3 308.422 2.272 20 0 DEADHO C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H](N)c1ccccc1 ZINC000262109097 145263323 /nfs/dbraw/zinc/26/33/23/145263323.db2.gz JRDMUJOCKTVYLO-PQEBFOHHSA-N 1 3 301.434 2.018 20 0 DEADHO C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H](N)c1ccccc1 ZINC000262109097 145263324 /nfs/dbraw/zinc/26/33/24/145263324.db2.gz JRDMUJOCKTVYLO-PQEBFOHHSA-N 1 3 301.434 2.018 20 0 DEADHO c1cc(-c2ccccc2)oc1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262184131 145267988 /nfs/dbraw/zinc/26/79/88/145267988.db2.gz XEGKZGUXISDYAK-QGZVFWFLSA-N 1 3 311.429 2.426 20 0 DEADHO C[C@H](CC(=O)NC[C@H]1NCCc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000262302596 145275038 /nfs/dbraw/zinc/27/50/38/145275038.db2.gz BQAZBWHBDPDPSN-QGPMSJSTSA-N 1 3 315.461 2.015 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(N2CCCC2=O)cc1 ZINC000262344744 145278207 /nfs/dbraw/zinc/27/82/07/145278207.db2.gz USAJLFQTOSKOSQ-DOTOQJQBSA-N 1 3 301.434 2.421 20 0 DEADHO COc1cccc(N2CCN(C[C@@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000262442093 145284068 /nfs/dbraw/zinc/28/40/68/145284068.db2.gz GVSVCSLENLHCPK-HZPDHXFCSA-N 1 3 303.450 2.205 20 0 DEADHO OC[C@H](Cc1ccccc1)N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000318237334 145367667 /nfs/dbraw/zinc/36/76/67/145367667.db2.gz YVZAKXNICZGWLD-ZSYWTGECSA-N 1 3 302.462 2.490 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000346289557 146054768 /nfs/dbraw/zinc/05/47/68/146054768.db2.gz QEQUDCZHMPGBKM-DDBAPUKQSA-N 1 3 315.461 2.456 20 0 DEADHO [NH3+]CCCOC1CCN(Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000346695171 146126317 /nfs/dbraw/zinc/12/63/17/146126317.db2.gz YQLNNMNYLNVFLO-UHFFFAOYSA-N 1 3 314.433 2.407 20 0 DEADHO COc1ccc(CCN[C@H]2CCC[C@@H]([NH3+])C2)c(OC)c1OC ZINC000565224995 292148770 /nfs/dbraw/zinc/14/87/70/292148770.db2.gz AWORQCCHSNSOJA-KGLIPLIRSA-N 1 3 308.422 2.114 20 0 DEADHO COc1ccc(CC[NH2+][C@H]2CCC[C@@H](N)C2)c(OC)c1OC ZINC000565224995 292148771 /nfs/dbraw/zinc/14/87/71/292148771.db2.gz AWORQCCHSNSOJA-KGLIPLIRSA-N 1 3 308.422 2.114 20 0 DEADHO O=C(NC[C@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000346832688 146149665 /nfs/dbraw/zinc/14/96/65/146149665.db2.gz MDCJJWRQGHEOMJ-IAGOWNOFSA-N 1 3 315.461 2.128 20 0 DEADHO O=C(NC[C@H]1CCC[N@H+](C[C@@H]2CCCNC2)C1)c1ccccc1 ZINC000346832688 146149667 /nfs/dbraw/zinc/14/96/67/146149667.db2.gz MDCJJWRQGHEOMJ-IAGOWNOFSA-N 1 3 315.461 2.128 20 0 DEADHO O=C(NC[C@H]1CCC[N@@H+](C[C@@H]2CCCNC2)C1)c1ccccc1 ZINC000346832688 146149669 /nfs/dbraw/zinc/14/96/69/146149669.db2.gz MDCJJWRQGHEOMJ-IAGOWNOFSA-N 1 3 315.461 2.128 20 0 DEADHO Cc1cccc(NC(=O)[C@H]2CCCN(C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000346842619 146151982 /nfs/dbraw/zinc/15/19/82/146151982.db2.gz IILQCOLINJVQHU-HOTGVXAUSA-N 1 3 316.449 2.040 20 0 DEADHO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](C[C@H]3CCCNC3)C2)n1 ZINC000346842619 146151985 /nfs/dbraw/zinc/15/19/85/146151985.db2.gz IILQCOLINJVQHU-HOTGVXAUSA-N 1 3 316.449 2.040 20 0 DEADHO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](C[C@H]3CCCNC3)C2)n1 ZINC000346842619 146151987 /nfs/dbraw/zinc/15/19/87/146151987.db2.gz IILQCOLINJVQHU-HOTGVXAUSA-N 1 3 316.449 2.040 20 0 DEADHO Cc1ccc(NC(=O)[C@H]2CCCN(C[C@H]3CCC[NH2+]C3)C2)nc1 ZINC000346848912 146152557 /nfs/dbraw/zinc/15/25/57/146152557.db2.gz FONQWCPXFBFJOK-HOTGVXAUSA-N 1 3 316.449 2.040 20 0 DEADHO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](C[C@H]3CCCNC3)C2)nc1 ZINC000346848912 146152559 /nfs/dbraw/zinc/15/25/59/146152559.db2.gz FONQWCPXFBFJOK-HOTGVXAUSA-N 1 3 316.449 2.040 20 0 DEADHO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](C[C@H]3CCCNC3)C2)nc1 ZINC000346848912 146152562 /nfs/dbraw/zinc/15/25/62/146152562.db2.gz FONQWCPXFBFJOK-HOTGVXAUSA-N 1 3 316.449 2.040 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3N3CCOCC3)C[C@H]21 ZINC000346847467 146152993 /nfs/dbraw/zinc/15/29/93/146152993.db2.gz MPUFCYLYGHZWGZ-KBAYOESNSA-N 1 3 315.461 2.082 20 0 DEADHO CNC(=O)C[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000346868725 146156047 /nfs/dbraw/zinc/15/60/47/146156047.db2.gz CMAFUDTTZTXXJF-DZJNRPSUSA-N 1 3 315.461 2.011 20 0 DEADHO CNC(=O)C[C@H](C)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000346868725 146156049 /nfs/dbraw/zinc/15/60/49/146156049.db2.gz CMAFUDTTZTXXJF-DZJNRPSUSA-N 1 3 315.461 2.011 20 0 DEADHO CNC(=O)C[C@H](C)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000346868725 146156051 /nfs/dbraw/zinc/15/60/51/146156051.db2.gz CMAFUDTTZTXXJF-DZJNRPSUSA-N 1 3 315.461 2.011 20 0 DEADHO CNC(=O)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000346868726 146156137 /nfs/dbraw/zinc/15/61/37/146156137.db2.gz CMAFUDTTZTXXJF-DZOHQFGASA-N 1 3 315.461 2.011 20 0 DEADHO CNC(=O)C[C@H](C)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000346868726 146156138 /nfs/dbraw/zinc/15/61/38/146156138.db2.gz CMAFUDTTZTXXJF-DZOHQFGASA-N 1 3 315.461 2.011 20 0 DEADHO CNC(=O)C[C@H](C)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000346868726 146156139 /nfs/dbraw/zinc/15/61/39/146156139.db2.gz CMAFUDTTZTXXJF-DZOHQFGASA-N 1 3 315.461 2.011 20 0 DEADHO c1cc(CN2CCC([C@H]3CCC[NH2+]3)CC2)c2c(c1)OCCO2 ZINC000347009884 146178798 /nfs/dbraw/zinc/17/87/98/146178798.db2.gz SNRFITOCXHJNAX-MRXNPFEDSA-N 1 3 302.418 2.422 20 0 DEADHO CC(C)OC(=O)CC[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000348304389 146251761 /nfs/dbraw/zinc/25/17/61/146251761.db2.gz HJRXZGAZESAYRD-HDICACEKSA-N 1 3 316.445 2.392 20 0 DEADHO CC(C)OC(=O)CC[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000348304389 146251763 /nfs/dbraw/zinc/25/17/63/146251763.db2.gz HJRXZGAZESAYRD-HDICACEKSA-N 1 3 316.445 2.392 20 0 DEADHO c1ccc(CN2C[C@@H]3C[NH+](CCOCC4CC4)C[C@H]3C2)cc1 ZINC000348306869 146253143 /nfs/dbraw/zinc/25/31/43/146253143.db2.gz MTKLIKRTFBPSTR-OALUTQOASA-N 1 3 300.446 2.477 20 0 DEADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2ccco2)CC1 ZINC000348895187 146327528 /nfs/dbraw/zinc/32/75/28/146327528.db2.gz QLGNEQGXDDFRNG-UHFFFAOYSA-N 1 3 321.465 2.340 20 0 DEADHO CCc1ccc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)o1 ZINC000349082794 146348645 /nfs/dbraw/zinc/34/86/45/146348645.db2.gz XUJDBPSKPOCENG-UHFFFAOYSA-N 1 3 305.466 2.301 20 0 DEADHO Cc1[nH]nc2ncc(CN3CC[C@@H](C4CC[NH+](C)CC4)C3)cc12 ZINC000349179803 146356683 /nfs/dbraw/zinc/35/66/83/146356683.db2.gz COCFFTZYTXXRHS-MRXNPFEDSA-N 1 3 313.449 2.430 20 0 DEADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCCN3CCCOCC3)CC2)C1 ZINC000349341410 146370540 /nfs/dbraw/zinc/37/05/40/146370540.db2.gz BNQKZKDZDMSFCF-PKOBYXMFSA-N 1 3 323.525 2.341 20 0 DEADHO CCc1nn(C)c(CC)c1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357068995 147034485 /nfs/dbraw/zinc/03/44/85/147034485.db2.gz DYNWVCWRQFHWFR-HNNXBMFYSA-N 1 3 304.482 2.366 20 0 DEADHO C[C@@H](C(=O)NC1CCCCC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357105963 147042468 /nfs/dbraw/zinc/04/24/68/147042468.db2.gz PGGWZRBJDXZQRO-GOEBONIOSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@H](C(=O)NC1CCCCC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357105962 147042714 /nfs/dbraw/zinc/04/27/14/147042714.db2.gz PGGWZRBJDXZQRO-GDBMZVCRSA-N 1 3 307.482 2.145 20 0 DEADHO COc1cc(NCCN[C@@H]2CC[N@H+](C)C[C@H]2C)cc(OC)c1 ZINC000358342496 147116224 /nfs/dbraw/zinc/11/62/24/147116224.db2.gz FAHGKDBNUFYBLF-CXAGYDPISA-N 1 3 307.438 2.046 20 0 DEADHO COc1cc(NCCN[C@@H]2CC[N@@H+](C)C[C@H]2C)cc(OC)c1 ZINC000358342496 147116226 /nfs/dbraw/zinc/11/62/26/147116226.db2.gz FAHGKDBNUFYBLF-CXAGYDPISA-N 1 3 307.438 2.046 20 0 DEADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCOc1cccc(C(F)(F)F)n1 ZINC000358381958 147123543 /nfs/dbraw/zinc/12/35/43/147123543.db2.gz ZMELZLLTJJHLMX-RYUDHWBXSA-N 1 3 317.355 2.409 20 0 DEADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCOc1cccc(C(F)(F)F)n1 ZINC000358381958 147123545 /nfs/dbraw/zinc/12/35/45/147123545.db2.gz ZMELZLLTJJHLMX-RYUDHWBXSA-N 1 3 317.355 2.409 20 0 DEADHO C[C@@H]1C[C@@H](C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000358691934 147182723 /nfs/dbraw/zinc/18/27/23/147182723.db2.gz NWRISIGWHUDSFR-NJAFHUGGSA-N 1 3 315.461 2.107 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)[C@@H](CN)c2ccc(F)cc2)CC1 ZINC000358863272 147220532 /nfs/dbraw/zinc/22/05/32/147220532.db2.gz VXLWMWFYKLSMDU-KRWDZBQOSA-N 1 3 321.440 2.106 20 0 DEADHO CC(C)[NH+](CCNC(=O)[C@@H](CN)c1ccc(F)cc1)C(C)C ZINC000358867663 147222070 /nfs/dbraw/zinc/22/20/70/147222070.db2.gz UGYZZVLBOVJWMY-INIZCTEOSA-N 1 3 309.429 2.103 20 0 DEADHO N[C@H](CC(=O)N1CCC2(CC[NH2+]CC2)CC1)c1ccccc1 ZINC000358898883 147227259 /nfs/dbraw/zinc/22/72/59/147227259.db2.gz NXPGJCUUNDPEQA-MRXNPFEDSA-N 1 3 301.434 2.069 20 0 DEADHO C[C@@H](c1cccnc1)N1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000359208884 147282250 /nfs/dbraw/zinc/28/22/50/147282250.db2.gz ASPRVWONIATOHM-INIZCTEOSA-N 1 3 302.466 2.150 20 0 DEADHO COC[C@H](CC(C)C)[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000359209783 147282366 /nfs/dbraw/zinc/28/23/66/147282366.db2.gz BBNHBFKIKGFKTB-RBUKOAKNSA-N 1 3 320.477 2.404 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000359224986 147286000 /nfs/dbraw/zinc/28/60/00/147286000.db2.gz LHWOIYRKXQMPQA-MRXNPFEDSA-N 1 3 322.497 2.034 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]C[C@H]2CCCN2CC)[C@H](C)C1 ZINC000359574552 147354478 /nfs/dbraw/zinc/35/44/78/147354478.db2.gz BHMBHYKJESDISH-KURKYZTESA-N 1 3 311.514 2.197 20 0 DEADHO Cc1ccc(S(=O)(=O)C[C@H](C)N[C@@H](C)CCCC[NH3+])cc1 ZINC000423047865 292171670 /nfs/dbraw/zinc/17/16/70/292171670.db2.gz HJFNSSPLLUIPFJ-GJZGRUSLSA-N 1 3 312.479 2.264 20 0 DEADHO Cc1ccc(S(=O)(=O)C[C@H](C)NC2CCC([NH3+])CC2)cc1 ZINC000415094862 292171721 /nfs/dbraw/zinc/17/17/21/292171721.db2.gz FSZSXXXIGKTRQG-NFOMZHRRSA-N 1 3 310.463 2.017 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)C3CC(C)(C)C3)CC2)CC1 ZINC000370580130 148032877 /nfs/dbraw/zinc/03/28/77/148032877.db2.gz QKXJOPHAWCNXQV-UHFFFAOYSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1ccc(O)c(CNC2CC[NH+](CCOC(C)C)CC2)n1 ZINC001422698308 1172816259 /nfs/dbraw/zinc/81/62/59/1172816259.db2.gz UHUZQZNRXGSYLM-UHFFFAOYSA-N 1 3 307.438 2.075 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]CC2(N(C)C)CCC2)[C@@H](C)C1 ZINC000437105953 286059478 /nfs/dbraw/zinc/05/94/78/286059478.db2.gz UJHPXRSNSUWSQX-DLBZAZTESA-N 1 3 311.514 2.197 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)N[C@@H](C[NH3+])CC(C)C)N(C)C)cc1 ZINC000417310207 292199993 /nfs/dbraw/zinc/19/99/93/292199993.db2.gz JSGDRJQZRIYSQI-IAGOWNOFSA-N 1 3 320.481 2.270 20 0 DEADHO CC(C)N(C)CC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000127134175 401721484 /nfs/dbraw/zinc/72/14/84/401721484.db2.gz WIJOCUFTXSOGDM-UHFFFAOYSA-N 1 3 309.429 2.056 20 0 DEADHO CC(C)[NH+](CCNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)C(C)C ZINC000127312870 401728777 /nfs/dbraw/zinc/72/87/77/401728777.db2.gz RCWLHMZMAMARMB-LSDHHAIUSA-N 1 3 310.486 2.030 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000127444378 401734981 /nfs/dbraw/zinc/73/49/81/401734981.db2.gz GDVMTPJTLOIGRH-INIZCTEOSA-N 1 3 322.497 2.131 20 0 DEADHO CCCC[N@H+](C)CCNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000112434140 401744816 /nfs/dbraw/zinc/74/48/16/401744816.db2.gz ASNXJKXCXRRAQM-UHFFFAOYSA-N 1 3 320.481 2.279 20 0 DEADHO CCCC[N@@H+](C)CCNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000112434140 401744818 /nfs/dbraw/zinc/74/48/18/401744818.db2.gz ASNXJKXCXRRAQM-UHFFFAOYSA-N 1 3 320.481 2.279 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000073677023 401719891 /nfs/dbraw/zinc/71/98/91/401719891.db2.gz SUDPLJJFYCSFBK-IRXDYDNUSA-N 1 3 324.513 2.425 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000073677023 401719892 /nfs/dbraw/zinc/71/98/92/401719892.db2.gz SUDPLJJFYCSFBK-IRXDYDNUSA-N 1 3 324.513 2.425 20 0 DEADHO COc1ccc([C@@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1 ZINC000128569113 401783156 /nfs/dbraw/zinc/78/31/56/401783156.db2.gz XNOSGNUBSLNBCS-MRXNPFEDSA-N 1 3 305.466 2.373 20 0 DEADHO CC(C)N(C)CC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000128791810 401792104 /nfs/dbraw/zinc/79/21/04/401792104.db2.gz ASPXRTNWEBSWOZ-UHFFFAOYSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[NH+](CCNC(=O)N[C@H](C)CN1CCCCC1)C(C)C ZINC000078435055 401850990 /nfs/dbraw/zinc/85/09/90/401850990.db2.gz DQECOQSEQJWMQX-MRXNPFEDSA-N 1 3 312.502 2.279 20 0 DEADHO CC[C@@]1(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CCC[NH2+]1 ZINC000134606110 401908626 /nfs/dbraw/zinc/90/86/26/401908626.db2.gz MWTOEARTWUMOLG-HKUYNNGSSA-N 1 3 315.461 2.299 20 0 DEADHO C[C@@H](C(=O)NC1CCCCC1)N1CCC(CC[NH+](C)C)CC1 ZINC000118868606 401913229 /nfs/dbraw/zinc/91/32/29/401913229.db2.gz FUPWCAYZAOOOJB-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]1CN(CC2CC[NH+](Cc3ccn(C)c3)CC2)C[C@H](C)O1 ZINC000092587217 402006523 /nfs/dbraw/zinc/00/65/23/402006523.db2.gz ZIOXBKLOWUHPHT-HOTGVXAUSA-N 1 3 305.466 2.346 20 0 DEADHO COCC[N@H+](C)CCCC1CCN(Cc2cnn(C)c2C)CC1 ZINC000122226244 402067585 /nfs/dbraw/zinc/06/75/85/402067585.db2.gz DUHKTEHCMFSPJI-UHFFFAOYSA-N 1 3 322.497 2.299 20 0 DEADHO COCC[N@@H+](C)CCCC1CCN(Cc2cnn(C)c2C)CC1 ZINC000122226244 402067587 /nfs/dbraw/zinc/06/75/87/402067587.db2.gz DUHKTEHCMFSPJI-UHFFFAOYSA-N 1 3 322.497 2.299 20 0 DEADHO CC(C)[C@H](C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(C)C ZINC000124435112 402179979 /nfs/dbraw/zinc/17/99/79/402179979.db2.gz BDXIHZHVVGQMSZ-IXDOHACOSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)[C@H](C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N(C)C ZINC000124435112 402179982 /nfs/dbraw/zinc/17/99/82/402179982.db2.gz BDXIHZHVVGQMSZ-IXDOHACOSA-N 1 3 311.514 2.447 20 0 DEADHO C[NH+](C)[C@H](CNC(=O)c1cccc(CN2CCCC2)c1)C1CC1 ZINC000068180868 402186543 /nfs/dbraw/zinc/18/65/43/402186543.db2.gz CPSQMDGRUGPQHO-GOSISDBHSA-N 1 3 315.461 2.352 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000104233929 402201444 /nfs/dbraw/zinc/20/14/44/402201444.db2.gz HNYQDXZKYGSSDW-QGZVFWFLSA-N 1 3 303.450 2.239 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000102808022 402173005 /nfs/dbraw/zinc/17/30/05/402173005.db2.gz XZSKLIYBHMMXPV-QGZVFWFLSA-N 1 3 324.513 2.378 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000155575694 402261287 /nfs/dbraw/zinc/26/12/87/402261287.db2.gz MQBDCFFXVKLJAT-GJZGRUSLSA-N 1 3 319.449 2.092 20 0 DEADHO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CC[C@@H]2CCCN2C)C1 ZINC000125049502 402210184 /nfs/dbraw/zinc/21/01/84/402210184.db2.gz RHJRIANNKBAVAE-BBWFWOEESA-N 1 3 309.498 2.488 20 0 DEADHO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC[C@@H]2CCCN2C)C1 ZINC000125049502 402210186 /nfs/dbraw/zinc/21/01/86/402210186.db2.gz RHJRIANNKBAVAE-BBWFWOEESA-N 1 3 309.498 2.488 20 0 DEADHO CCC[C@H](C)NC(=O)[C@@H]1CCCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000125049502 402210188 /nfs/dbraw/zinc/21/01/88/402210188.db2.gz RHJRIANNKBAVAE-BBWFWOEESA-N 1 3 309.498 2.488 20 0 DEADHO CCC[C@H](C)NC(=O)[C@@H]1CCCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000125049502 402210189 /nfs/dbraw/zinc/21/01/89/402210189.db2.gz RHJRIANNKBAVAE-BBWFWOEESA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000155861593 402268806 /nfs/dbraw/zinc/26/88/06/402268806.db2.gz YZJOIDPSHRXOOG-SFHVURJKSA-N 1 3 315.461 2.449 20 0 DEADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)CC(C)(C)[NH3+] ZINC000236894629 402387329 /nfs/dbraw/zinc/38/73/29/402387329.db2.gz UYJXZSAAKWRXQH-QGZVFWFLSA-N 1 3 317.477 2.484 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](CC2CCCCC2)C1)N(C)C ZINC001422757703 1172845382 /nfs/dbraw/zinc/84/53/82/1172845382.db2.gz WORYXNNRNYZZEC-YOEHRIQHSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)CCC[NH3+] ZINC000236603625 402367721 /nfs/dbraw/zinc/36/77/21/402367721.db2.gz VHWQMIYZZRNVBZ-QGZVFWFLSA-N 1 3 317.477 2.315 20 0 DEADHO CC(C)(CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000236674990 402373190 /nfs/dbraw/zinc/37/31/90/402373190.db2.gz FQJJDNUQSHCCMD-NVXWUHKLSA-N 1 3 315.461 2.067 20 0 DEADHO COc1cccc([C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)c1 ZINC000177206851 402381743 /nfs/dbraw/zinc/38/17/43/402381743.db2.gz CTIRUQKVYPGJCD-OAHLLOKOSA-N 1 3 305.466 2.372 20 0 DEADHO C[C@H](C[NH+]1C[C@@H](C)C[C@H](C)C1)NC(=O)N(C)CCN(C)C1CC1 ZINC000185229129 402336498 /nfs/dbraw/zinc/33/64/98/402336498.db2.gz VVSXHGCXBWWWKL-HRCADAONSA-N 1 3 324.513 2.088 20 0 DEADHO C[NH2+]CCCC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000237174047 402398251 /nfs/dbraw/zinc/39/82/51/402398251.db2.gz YRHRRNSKYYFWJW-BBRMVZONSA-N 1 3 309.479 2.247 20 0 DEADHO C[C@@H](CC(=O)NCc1cccc(CN(C)C)c1)[C@H]1CCC[NH2+]C1 ZINC000237475965 402409581 /nfs/dbraw/zinc/40/95/81/402409581.db2.gz JDRWCQKVGZFWJT-YJBOKZPZSA-N 1 3 317.477 2.390 20 0 DEADHO C[C@H]1C[C@H](NC(=O)CC(C)(C)[NH3+])CCN1Cc1ccccc1 ZINC000237637691 402416738 /nfs/dbraw/zinc/41/67/38/402416738.db2.gz QMFNQGAKYHSRBU-GOEBONIOSA-N 1 3 303.450 2.283 20 0 DEADHO [NH3+]C1(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CCCC1 ZINC000237925677 402425846 /nfs/dbraw/zinc/42/58/46/402425846.db2.gz YIBAXRZMUNWFBO-MRXNPFEDSA-N 1 3 301.434 2.039 20 0 DEADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000237989021 402430564 /nfs/dbraw/zinc/43/05/64/402430564.db2.gz AUOKSUDLKIVXKA-MSOLQXFVSA-N 1 3 315.461 2.299 20 0 DEADHO CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000177998214 402451295 /nfs/dbraw/zinc/45/12/95/402451295.db2.gz YQPWEIJVPDFYPT-XYJFISCASA-N 1 3 317.477 2.353 20 0 DEADHO [NH3+]CC1(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CCCC1 ZINC000238054720 402435077 /nfs/dbraw/zinc/43/50/77/402435077.db2.gz OOYPSHBLZJEWKZ-QGZVFWFLSA-N 1 3 315.461 2.286 20 0 DEADHO C[C@H](CNC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000245201995 402452071 /nfs/dbraw/zinc/45/20/71/402452071.db2.gz OKXCMRRHMFNYLR-HHARLNAUSA-N 1 3 309.498 2.484 20 0 DEADHO C[C@H](CNC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000245201995 402452073 /nfs/dbraw/zinc/45/20/73/402452073.db2.gz OKXCMRRHMFNYLR-HHARLNAUSA-N 1 3 309.498 2.484 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000237002860 402391008 /nfs/dbraw/zinc/39/10/08/402391008.db2.gz MUVWQUMPEHMTQO-RDJZCZTQSA-N 1 3 309.498 2.474 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000237002860 402391011 /nfs/dbraw/zinc/39/10/11/402391011.db2.gz MUVWQUMPEHMTQO-RDJZCZTQSA-N 1 3 309.498 2.474 20 0 DEADHO Cc1ccccc1CN1CCC(NC(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000164551304 402464456 /nfs/dbraw/zinc/46/44/56/402464456.db2.gz LOXOLMSOWFFHMU-SFHVURJKSA-N 1 3 315.461 2.218 20 0 DEADHO C[C@@H]1C[C@H](NCCNC(=O)c2ccccc2Cl)CC[N@@H+]1C ZINC000178168419 402467411 /nfs/dbraw/zinc/46/74/11/402467411.db2.gz CRKUJQUAYBJVPL-CHWSQXEVSA-N 1 3 309.841 2.142 20 0 DEADHO C[C@@H]1C[C@H](NCCNC(=O)c2ccccc2Cl)CC[N@H+]1C ZINC000178168419 402467414 /nfs/dbraw/zinc/46/74/14/402467414.db2.gz CRKUJQUAYBJVPL-CHWSQXEVSA-N 1 3 309.841 2.142 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H](N)c1ccccc1 ZINC000167718469 402493550 /nfs/dbraw/zinc/49/35/50/402493550.db2.gz CENGYMQJXSAOPU-LESCRADOSA-N 1 3 315.461 2.456 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@H](N)c1ccccc1 ZINC000167718469 402493552 /nfs/dbraw/zinc/49/35/52/402493552.db2.gz CENGYMQJXSAOPU-LESCRADOSA-N 1 3 315.461 2.456 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000246823526 402546438 /nfs/dbraw/zinc/54/64/38/402546438.db2.gz COEIRVMIIUFWOD-GJZGRUSLSA-N 1 3 310.486 2.033 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000246823526 402546440 /nfs/dbraw/zinc/54/64/40/402546440.db2.gz COEIRVMIIUFWOD-GJZGRUSLSA-N 1 3 310.486 2.033 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H](C)C[C@H](C)C2)CC1 ZINC000246873607 402547913 /nfs/dbraw/zinc/54/79/13/402547913.db2.gz WMOAVUHEPCCMNI-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H](C)C[C@H](C)C2)CC1 ZINC000246873593 402547978 /nfs/dbraw/zinc/54/79/78/402547978.db2.gz WMOAVUHEPCCMNI-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CC[NH+](CC)CCSCCCN1CCN(C(C)C)CC1 ZINC000188319585 402519424 /nfs/dbraw/zinc/51/94/24/402519424.db2.gz QEJPRUHVENDQET-UHFFFAOYSA-N 1 3 301.544 2.478 20 0 DEADHO C[C@@H](CNC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)N(C)C1CC1 ZINC000246392521 402528395 /nfs/dbraw/zinc/52/83/95/402528395.db2.gz ISNXEBGOFOTBOC-OAGGEKHMSA-N 1 3 324.513 2.136 20 0 DEADHO CN(C(=O)CC(C)(C)[NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000178717005 402530129 /nfs/dbraw/zinc/53/01/29/402530129.db2.gz ILEXOALHOLEVIG-INIZCTEOSA-N 1 3 303.450 2.237 20 0 DEADHO C[NH2+]CCCC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000178733824 402531867 /nfs/dbraw/zinc/53/18/67/402531867.db2.gz UUVUETIYBLRCQB-UHFFFAOYSA-N 1 3 309.479 2.076 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247670527 402574237 /nfs/dbraw/zinc/57/42/37/402574237.db2.gz ZITKHBDGIDWIRM-RRFJBIMHSA-N 1 3 311.470 2.458 20 0 DEADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247670527 402574240 /nfs/dbraw/zinc/57/42/40/402574240.db2.gz ZITKHBDGIDWIRM-RRFJBIMHSA-N 1 3 311.470 2.458 20 0 DEADHO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000414180453 296648407 /nfs/dbraw/zinc/64/84/07/296648407.db2.gz BCHLDHDOOGTRBK-KZNAEPCWSA-N 1 3 323.525 2.197 20 0 DEADHO CC[N@H+](C)C[C@H](O)CN(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000566416028 292236704 /nfs/dbraw/zinc/23/67/04/292236704.db2.gz LWRDSNHQKNZBFK-BZSNNMDCSA-N 1 3 324.440 2.290 20 0 DEADHO CC[N@@H+](C)C[C@H](O)CN(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000566416028 292236706 /nfs/dbraw/zinc/23/67/06/292236706.db2.gz LWRDSNHQKNZBFK-BZSNNMDCSA-N 1 3 324.440 2.290 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC2(CC[NH2+]C2)CC1)N1CCCCC1 ZINC000261876993 402718895 /nfs/dbraw/zinc/71/88/95/402718895.db2.gz SXFZHTLKJOLJBE-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO COc1cccc(C[NH2+]CC2CCN(c3ccncc3)CC2)n1 ZINC000191547677 402678163 /nfs/dbraw/zinc/67/81/63/402678163.db2.gz FLOZGBPQIBNIGS-UHFFFAOYSA-N 1 3 312.417 2.491 20 0 DEADHO C[C@H]([NH3+])CCC(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000262801822 402732812 /nfs/dbraw/zinc/73/28/12/402732812.db2.gz NZDDULLZKIUJEJ-ZDUSSCGKSA-N 1 3 304.438 2.259 20 0 DEADHO C[C@]1(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CCCC[NH2+]1 ZINC000192547670 402736383 /nfs/dbraw/zinc/73/63/83/402736383.db2.gz XXNGYQAXESFVKO-PKOBYXMFSA-N 1 3 311.429 2.488 20 0 DEADHO CCC[C@H](N)C(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000263018957 402741308 /nfs/dbraw/zinc/74/13/08/402741308.db2.gz ZSYYFZWRZPFMBO-GJZGRUSLSA-N 1 3 321.490 2.346 20 0 DEADHO CN(C)[C@H](CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+])c1ccccc1 ZINC000263296079 402755207 /nfs/dbraw/zinc/75/52/07/402755207.db2.gz WIXVJXYCEWMNTG-NUJGCVRESA-N 1 3 303.450 2.313 20 0 DEADHO CN1CCC[C@@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000175748226 402829434 /nfs/dbraw/zinc/82/94/34/402829434.db2.gz IQOPBSUTOHSOGQ-HNNXBMFYSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H](C(=O)N(C)C)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000264068194 402836644 /nfs/dbraw/zinc/83/66/44/402836644.db2.gz XDSPSMYEWOVAEX-INIZCTEOSA-N 1 3 317.477 2.307 20 0 DEADHO C[C@@H](C(=O)N(C)C)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000264068194 402836645 /nfs/dbraw/zinc/83/66/45/402836645.db2.gz XDSPSMYEWOVAEX-INIZCTEOSA-N 1 3 317.477 2.307 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C1CC[NH2+]CC1 ZINC000272482455 402942527 /nfs/dbraw/zinc/94/25/27/402942527.db2.gz RWOKIZPLHVSXCI-YJBOKZPZSA-N 1 3 315.461 2.013 20 0 DEADHO CC(C)C(=O)NCC[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272566020 402954108 /nfs/dbraw/zinc/95/41/08/402954108.db2.gz HICCITOHQJTWKK-WMZOPIPTSA-N 1 3 317.477 2.259 20 0 DEADHO CC(C)C(=O)NCCN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272566020 402954109 /nfs/dbraw/zinc/95/41/09/402954109.db2.gz HICCITOHQJTWKK-WMZOPIPTSA-N 1 3 317.477 2.259 20 0 DEADHO CC(C)C(=O)NCCN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272566020 402954110 /nfs/dbraw/zinc/95/41/10/402954110.db2.gz HICCITOHQJTWKK-WMZOPIPTSA-N 1 3 317.477 2.259 20 0 DEADHO CC(C)OC1CC(NCc2ccncc2OCCC[NH+](C)C)C1 ZINC000566588732 292253564 /nfs/dbraw/zinc/25/35/64/292253564.db2.gz VAYAMRNDOMNIHW-UHFFFAOYSA-N 1 3 321.465 2.458 20 0 DEADHO C[NH+]1CCC(CC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000273184789 402980813 /nfs/dbraw/zinc/98/08/13/402980813.db2.gz FRLKUHVLDQZXBW-SFHVURJKSA-N 1 3 315.461 2.109 20 0 DEADHO CCO[C@@H]1C[C@@H](NC[C@H](O)C[NH+]2CCCC2)C12CCCCC2 ZINC000305775450 286284969 /nfs/dbraw/zinc/28/49/69/286284969.db2.gz JXLQLBZGIREKQS-GVDBMIGSSA-N 1 3 310.482 2.161 20 0 DEADHO COc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)CN2CCCC2)cc1C ZINC000273210039 402982837 /nfs/dbraw/zinc/98/28/37/402982837.db2.gz SVBOPGORMFLWFT-CVEARBPZSA-N 1 3 306.450 2.419 20 0 DEADHO [NH3+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000281934844 403105909 /nfs/dbraw/zinc/10/59/09/403105909.db2.gz KRLLEZICBQGERU-MSOLQXFVSA-N 1 3 315.461 2.238 20 0 DEADHO CC(C)C(=O)NCCN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268698922 403107769 /nfs/dbraw/zinc/10/77/69/403107769.db2.gz ARVXPQHQUHSMST-WMZOPIPTSA-N 1 3 317.477 2.401 20 0 DEADHO CC(C)C(=O)NCCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268698922 403107771 /nfs/dbraw/zinc/10/77/71/403107771.db2.gz ARVXPQHQUHSMST-WMZOPIPTSA-N 1 3 317.477 2.401 20 0 DEADHO C[C@H](NC(=O)c1cccc(CN2CCCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000269243686 403124756 /nfs/dbraw/zinc/12/47/56/403124756.db2.gz YCRVWLVUANGDDH-MAUKXSAKSA-N 1 3 315.461 2.400 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276261143 403158452 /nfs/dbraw/zinc/15/84/52/403158452.db2.gz OUFVDJLAXZRIHZ-GOSISDBHSA-N 1 3 317.477 2.281 20 0 DEADHO C[C@H]([NH3+])CCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000277428630 403216525 /nfs/dbraw/zinc/21/65/25/403216525.db2.gz BWWYLDKFJKUIBP-YQQAZPJKSA-N 1 3 303.450 2.141 20 0 DEADHO C[C@H]([NH3+])CCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000277428635 403216618 /nfs/dbraw/zinc/21/66/18/403216618.db2.gz BWWYLDKFJKUIBP-ZOBUZTSGSA-N 1 3 303.450 2.141 20 0 DEADHO CCOCC[C@H](O)CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000277657643 403241990 /nfs/dbraw/zinc/24/19/90/403241990.db2.gz IUJLVUXARQMVCC-OALUTQOASA-N 1 3 320.477 2.228 20 0 DEADHO CCOCC[C@H](O)CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000277657643 403241992 /nfs/dbraw/zinc/24/19/92/403241992.db2.gz IUJLVUXARQMVCC-OALUTQOASA-N 1 3 320.477 2.228 20 0 DEADHO CCNC(=O)CCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285742182 403370108 /nfs/dbraw/zinc/37/01/08/403370108.db2.gz YEYBRROFOLSXQR-LJQANCHMSA-N 1 3 315.461 2.111 20 0 DEADHO CCNC(=O)CCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285742182 403370112 /nfs/dbraw/zinc/37/01/12/403370112.db2.gz YEYBRROFOLSXQR-LJQANCHMSA-N 1 3 315.461 2.111 20 0 DEADHO CC[NH+](CC)CCOc1ccccc1CN[C@@H](C)CC(=O)NC ZINC000298567545 403416094 /nfs/dbraw/zinc/41/60/94/403416094.db2.gz NNAZNWKNEILUEE-HNNXBMFYSA-N 1 3 321.465 2.021 20 0 DEADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCCN1C1CCCC1 ZINC000343079055 403455919 /nfs/dbraw/zinc/45/59/19/403455919.db2.gz NUHBWNITRVQUBG-MAUKXSAKSA-N 1 3 319.493 2.384 20 0 DEADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCCN1C1CCCC1 ZINC000343079055 403455922 /nfs/dbraw/zinc/45/59/22/403455922.db2.gz NUHBWNITRVQUBG-MAUKXSAKSA-N 1 3 319.493 2.384 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CCCN1C ZINC000345746641 403467157 /nfs/dbraw/zinc/46/71/57/403467157.db2.gz LPUBUZWZRNTFKT-IKGGRYGDSA-N 1 3 322.497 2.129 20 0 DEADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(C)ccn2)CC1 ZINC000286272364 403486632 /nfs/dbraw/zinc/48/66/32/403486632.db2.gz VJMVEYCXMFEASZ-SJORKVTESA-N 1 3 304.482 2.314 20 0 DEADHO CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCCN2C)cc1 ZINC000299276826 403555964 /nfs/dbraw/zinc/55/59/64/403555964.db2.gz LEUXVUXYCPBUNU-QGZVFWFLSA-N 1 3 303.450 2.352 20 0 DEADHO COC(C)(C)[C@@H](C)NCc1ccncc1OCCC[NH+](C)C ZINC000340402966 403604924 /nfs/dbraw/zinc/60/49/24/403604924.db2.gz RRHUVNWEGDAIBR-CQSZACIVSA-N 1 3 309.454 2.315 20 0 DEADHO C[C@H](CC[NH+](C)C)NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000287218817 403557024 /nfs/dbraw/zinc/55/70/24/403557024.db2.gz NANQLSODOQQTBJ-HLLBOEOZSA-N 1 3 320.481 2.317 20 0 DEADHO COCCCN(C)CC[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000340248846 403575279 /nfs/dbraw/zinc/57/52/79/403575279.db2.gz XORDBFZJCWJTLU-RBUKOAKNSA-N 1 3 319.493 2.380 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000346280944 403583291 /nfs/dbraw/zinc/58/32/91/403583291.db2.gz KKNOROVJYSLVCM-IXDOHACOSA-N 1 3 307.482 2.194 20 0 DEADHO COc1ccc([C@@H](C)[NH2+]CC2(O)CCN(C)CC2)c(C)c1OC ZINC000286334266 286355174 /nfs/dbraw/zinc/35/51/74/286355174.db2.gz YAGQTPSJCGOVDX-CQSZACIVSA-N 1 3 322.449 2.120 20 0 DEADHO COc1cc(CN2CCC([C@H](C)[NH3+])CC2)cc2c1OCCO2 ZINC000347205610 403622018 /nfs/dbraw/zinc/62/20/18/403622018.db2.gz LZOWSMSNUBDWGY-LBPRGKRZSA-N 1 3 306.406 2.026 20 0 DEADHO CC[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)NCCN(C)C)C1CC1 ZINC000347271360 403644366 /nfs/dbraw/zinc/64/43/66/403644366.db2.gz MQXQRIMZBITNEV-QZTJIDSGSA-N 1 3 317.477 2.054 20 0 DEADHO COc1ccc([C@H](NCC2=CCN(C)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423018448 286375666 /nfs/dbraw/zinc/37/56/66/286375666.db2.gz QXQJGMNEERHBSP-OALUTQOASA-N 1 3 315.461 2.340 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1CCC(C[NH3+])CC1)N1CCCCC1 ZINC000343643793 403675005 /nfs/dbraw/zinc/67/50/05/403675005.db2.gz CEHZBXGUFORHEF-JCYILVPMSA-N 1 3 309.498 2.378 20 0 DEADHO CCn1nc(C)c(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1C ZINC000333185123 403687904 /nfs/dbraw/zinc/68/79/04/403687904.db2.gz SSLTZPHAGMDQSI-ROUUACIJSA-N 1 3 320.481 2.238 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000347390771 403690513 /nfs/dbraw/zinc/69/05/13/403690513.db2.gz MJVAOOOYHKYDTB-DLBZAZTESA-N 1 3 307.482 2.051 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000347390771 403690516 /nfs/dbraw/zinc/69/05/16/403690516.db2.gz MJVAOOOYHKYDTB-DLBZAZTESA-N 1 3 307.482 2.051 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000340936671 403705686 /nfs/dbraw/zinc/70/56/86/403705686.db2.gz KCHOGYKHWAPNBH-SJORKVTESA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343860565 403764459 /nfs/dbraw/zinc/76/44/59/403764459.db2.gz FXTGQYNPKKAZNB-BRWVUGGUSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343860565 403764463 /nfs/dbraw/zinc/76/44/63/403764463.db2.gz FXTGQYNPKKAZNB-BRWVUGGUSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000288770477 403765285 /nfs/dbraw/zinc/76/52/85/403765285.db2.gz PDJYRCHMDBMUTQ-RHSMWYFYSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@]1(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)CCCCN1 ZINC000333512136 403770071 /nfs/dbraw/zinc/77/00/71/403770071.db2.gz FPARARFGERHIQQ-OAHLLOKOSA-N 1 3 308.451 2.081 20 0 DEADHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc2c(c1)OCC(=O)N2 ZINC000333280584 403715191 /nfs/dbraw/zinc/71/51/91/403715191.db2.gz XTBUGPQJQAEYOG-JZIBPQBNSA-N 1 3 315.417 2.293 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@H]1NC1CCC2(CC1)c1ccccc1NC2=O ZINC000333317207 403723016 /nfs/dbraw/zinc/72/30/16/403723016.db2.gz SZSGOPRYFCYSCH-WKVNKLGWSA-N 1 3 313.445 2.407 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)CCN1C ZINC000340995808 403728310 /nfs/dbraw/zinc/72/83/10/403728310.db2.gz SACMSKQLBVUDMB-BZUAXINKSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NCCC[N@H+]2CCCC[C@H]2C)CCN1C ZINC000340995808 403728312 /nfs/dbraw/zinc/72/83/12/403728312.db2.gz SACMSKQLBVUDMB-BZUAXINKSA-N 1 3 310.486 2.033 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000343792899 403735434 /nfs/dbraw/zinc/73/54/34/403735434.db2.gz KGULXYQDHJFBBB-ARFHVFGLSA-N 1 3 310.486 2.033 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000343792899 403735439 /nfs/dbraw/zinc/73/54/39/403735439.db2.gz KGULXYQDHJFBBB-ARFHVFGLSA-N 1 3 310.486 2.033 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000343855112 403761044 /nfs/dbraw/zinc/76/10/44/403761044.db2.gz XTNSCJRFXALLGS-GVDBMIGSSA-N 1 3 324.513 2.423 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000343855112 403761049 /nfs/dbraw/zinc/76/10/49/403761049.db2.gz XTNSCJRFXALLGS-GVDBMIGSSA-N 1 3 324.513 2.423 20 0 DEADHO COc1ccc([C@@H](C)[NH2+]C[C@H](O)CN2CCC(C)CC2)cc1 ZINC000305109623 403836897 /nfs/dbraw/zinc/83/68/97/403836897.db2.gz FFHYZVARYSYUET-WBVHZDCISA-N 1 3 306.450 2.439 20 0 DEADHO C[N@H+](CCNC(=O)N1CC[C@@H](N2CCCCC2)C1)C1CCCC1 ZINC000341104086 403775392 /nfs/dbraw/zinc/77/53/92/403775392.db2.gz SJOLGVILDWUKOF-QGZVFWFLSA-N 1 3 322.497 2.131 20 0 DEADHO C[N@@H+](CCNC(=O)N1CC[C@@H](N2CCCCC2)C1)C1CCCC1 ZINC000341104086 403775393 /nfs/dbraw/zinc/77/53/93/403775393.db2.gz SJOLGVILDWUKOF-QGZVFWFLSA-N 1 3 322.497 2.131 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCCN1CC ZINC000341109373 403778227 /nfs/dbraw/zinc/77/82/27/403778227.db2.gz SNJBPOVAUBAMFC-DLBZAZTESA-N 1 3 324.513 2.425 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCCN1CC ZINC000341109373 403778236 /nfs/dbraw/zinc/77/82/36/403778236.db2.gz SNJBPOVAUBAMFC-DLBZAZTESA-N 1 3 324.513 2.425 20 0 DEADHO C[C@@H](CNC(=O)N(C)CCC[NH+]1CCCC1)N1CCCC[C@H]1C ZINC000347640430 403787397 /nfs/dbraw/zinc/78/73/97/403787397.db2.gz XWEDNMGCTZGEPV-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000341155542 403799470 /nfs/dbraw/zinc/79/94/70/403799470.db2.gz FKZQLDKLKPLQSF-BZUAXINKSA-N 1 3 310.486 2.033 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000341155542 403799474 /nfs/dbraw/zinc/79/94/74/403799474.db2.gz FKZQLDKLKPLQSF-BZUAXINKSA-N 1 3 310.486 2.033 20 0 DEADHO COc1ccc(OC)c(CN(C)CCCN(C)CC[NH+](C)C)c1 ZINC000289157220 403855272 /nfs/dbraw/zinc/85/52/72/403855272.db2.gz DJOJZLDCWCAMQV-UHFFFAOYSA-N 1 3 323.481 2.019 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000295338788 403865495 /nfs/dbraw/zinc/86/54/95/403865495.db2.gz ZZHXCFNMPDQEQH-BBWFWOEESA-N 1 3 303.450 2.314 20 0 DEADHO CC[C@@H](NCC(=O)NC1CC[NH+](CC)CC1)c1cccs1 ZINC000411511934 403878133 /nfs/dbraw/zinc/87/81/33/403878133.db2.gz KIXUUJZWVDILDA-CQSZACIVSA-N 1 3 309.479 2.389 20 0 DEADHO O[C@@H](C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)C(F)(F)F ZINC000309673359 403961563 /nfs/dbraw/zinc/96/15/63/403961563.db2.gz USCVLNQLMPCHCK-KBPBESRZSA-N 1 3 302.340 2.021 20 0 DEADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000362969283 404028365 /nfs/dbraw/zinc/02/83/65/404028365.db2.gz KFXLCOIVRWIBDX-WBVHZDCISA-N 1 3 317.477 2.211 20 0 DEADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000362969283 404028373 /nfs/dbraw/zinc/02/83/73/404028373.db2.gz KFXLCOIVRWIBDX-WBVHZDCISA-N 1 3 317.477 2.211 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000290076390 404030415 /nfs/dbraw/zinc/03/04/15/404030415.db2.gz VUMCPVBNUPHELJ-SOUVJXGZSA-N 1 3 321.490 2.389 20 0 DEADHO C[C@]1(O)CCCN(C/C=C/C[N@@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000369131064 403976761 /nfs/dbraw/zinc/97/67/61/403976761.db2.gz SPAOIQNYLICMRX-ZFRRBFPSSA-N 1 3 310.482 2.016 20 0 DEADHO C[C@]1(O)CCCN(C/C=C/C[N@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000369131064 403976768 /nfs/dbraw/zinc/97/67/68/403976768.db2.gz SPAOIQNYLICMRX-ZFRRBFPSSA-N 1 3 310.482 2.016 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000290242110 404095750 /nfs/dbraw/zinc/09/57/50/404095750.db2.gz VOARLHSSLYWZJO-BGTYHANMSA-N 1 3 315.461 2.154 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)[NH2+]CC2=CCN(C)CC2)c1 ZINC000344293709 404036363 /nfs/dbraw/zinc/03/63/63/404036363.db2.gz IKLCAWJMWFWSEP-AWEZNQCLSA-N 1 3 317.433 2.264 20 0 DEADHO C[C@@H](CNC[C@@H](O)COCc1ccccc1F)C[NH+]1CCCC1 ZINC000320704915 404069204 /nfs/dbraw/zinc/06/92/04/404069204.db2.gz JDEZNSLGMKXCRB-DOTOQJQBSA-N 1 3 324.440 2.025 20 0 DEADHO C[C@@H](C[NH2+]C[C@@H](O)COCc1ccccc1F)CN1CCCC1 ZINC000320704915 404069208 /nfs/dbraw/zinc/06/92/08/404069208.db2.gz JDEZNSLGMKXCRB-DOTOQJQBSA-N 1 3 324.440 2.025 20 0 DEADHO CCN1CCN(CCCC[NH2+][C@H]2CCC[C@H]2CCOC)CC1 ZINC000337518826 404073413 /nfs/dbraw/zinc/07/34/13/404073413.db2.gz NTUMLUTYARYZLY-ROUUACIJSA-N 1 3 311.514 2.199 20 0 DEADHO c1cc2c(cc1CCN[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)OCCO2 ZINC000337605977 404129193 /nfs/dbraw/zinc/12/91/93/404129193.db2.gz MIYFQNKMRQBZCV-HZPDHXFCSA-N 1 3 302.418 2.217 20 0 DEADHO c1cc2c(cc1CCN[C@@H]1CC[N@H+]3CCC[C@@H]3C1)OCCO2 ZINC000337605977 404129199 /nfs/dbraw/zinc/12/91/99/404129199.db2.gz MIYFQNKMRQBZCV-HZPDHXFCSA-N 1 3 302.418 2.217 20 0 DEADHO C[C@H](NC1CC1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000296177545 404129630 /nfs/dbraw/zinc/12/96/30/404129630.db2.gz XPGFQHRTFHNUSG-AWEZNQCLSA-N 1 3 301.434 2.039 20 0 DEADHO CN(C)Cc1cccc(CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000296174895 404128090 /nfs/dbraw/zinc/12/80/90/404128090.db2.gz XLBHKGXMZCJFII-IRXDYDNUSA-N 1 3 303.450 2.272 20 0 DEADHO CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000355079970 404205042 /nfs/dbraw/zinc/20/50/42/404205042.db2.gz KAHJIHWKXLLHPX-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H](C(=O)NC[C@@H]1N(C)CCCC1(C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000344715616 404325542 /nfs/dbraw/zinc/32/55/42/404325542.db2.gz PACOKGZKZDJKPO-FZKCQIBNSA-N 1 3 309.498 2.484 20 0 DEADHO C[C@@H](C(=O)NC[C@@H]1N(C)CCCC1(C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000344715616 404325549 /nfs/dbraw/zinc/32/55/49/404325549.db2.gz PACOKGZKZDJKPO-FZKCQIBNSA-N 1 3 309.498 2.484 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCC(=O)N3CCc4ccccc43)C[C@@H]21 ZINC000342103268 404368986 /nfs/dbraw/zinc/36/89/86/404368986.db2.gz MNJUGRVQUAWXIB-IXDOHACOSA-N 1 3 313.445 2.025 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@H]2CCCCC[NH2+]2)cc1 ZINC000364468561 404410344 /nfs/dbraw/zinc/41/03/44/404410344.db2.gz RBIBWJGEYISUOO-IAGOWNOFSA-N 1 3 303.450 2.458 20 0 DEADHO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H](C)NC1CC1 ZINC000297044558 404425669 /nfs/dbraw/zinc/42/56/69/404425669.db2.gz YEUXKLVPMVXOQO-CQSZACIVSA-N 1 3 319.449 2.486 20 0 DEADHO c1ccc2cc(CCN3CCN([C@H]4CC[NH2+]C4)CC3)ccc2c1 ZINC000352519115 404432604 /nfs/dbraw/zinc/43/26/04/404432604.db2.gz LYUKHCZNOJLGGX-FQEVSTJZSA-N 1 3 309.457 2.362 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000356301522 404434922 /nfs/dbraw/zinc/43/49/22/404434922.db2.gz QPVHKMSIQNHRKY-IBGZPJMESA-N 1 3 315.461 2.306 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000356301522 404434931 /nfs/dbraw/zinc/43/49/31/404434931.db2.gz QPVHKMSIQNHRKY-IBGZPJMESA-N 1 3 315.461 2.306 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[C@]12CC[NH2+]C2)c1ccccc1 ZINC000364561118 404449208 /nfs/dbraw/zinc/44/92/08/404449208.db2.gz MYGYCBMXJRAIKL-LMMKCTJWSA-N 1 3 315.461 2.185 20 0 DEADHO C[C@@H](c1ccccc1)[C@@H](O)CNCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000567464997 292315695 /nfs/dbraw/zinc/31/56/95/292315695.db2.gz GUGZOJMYQWLAEL-AOIWGVFYSA-N 1 3 320.477 2.242 20 0 DEADHO C[C@@H](c1ccccc1)[C@@H](O)CNCCC[N@H+]1CCCO[C@H](C)C1 ZINC000567464997 292315696 /nfs/dbraw/zinc/31/56/96/292315696.db2.gz GUGZOJMYQWLAEL-AOIWGVFYSA-N 1 3 320.477 2.242 20 0 DEADHO C[C@@H](CNC(=O)N(C)CC1CC[NH+](C)CC1)N1CCCC[C@H]1C ZINC000351347384 404557048 /nfs/dbraw/zinc/55/70/48/404557048.db2.gz AHXJGOPPDZXAHN-CVEARBPZSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000338817351 404563295 /nfs/dbraw/zinc/56/32/95/404563295.db2.gz VWOOXWYQYAHWNV-GJZGRUSLSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000414321417 404577029 /nfs/dbraw/zinc/57/70/29/404577029.db2.gz DXKQYCHCPGNHBM-AWEZNQCLSA-N 1 3 315.461 2.272 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@H](c1ccccc1)N1CCCC1 ZINC000567490057 292317895 /nfs/dbraw/zinc/31/78/95/292317895.db2.gz GVGBYDUFMZWHAP-WNHJNPCNSA-N 1 3 317.477 2.165 20 0 DEADHO Cc1nccn1CCCC[NH2+]Cc1ncc(CN(C)C)s1 ZINC000352774834 404610425 /nfs/dbraw/zinc/61/04/25/404610425.db2.gz RIYNKNRMBJFQTL-UHFFFAOYSA-N 1 3 307.467 2.280 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000342494631 404615526 /nfs/dbraw/zinc/61/55/26/404615526.db2.gz UBSBQJJGDLQHME-SFHVURJKSA-N 1 3 317.477 2.281 20 0 DEADHO CC(C)[NH+]1CCC(N(C)C(=O)[C@@H](C2CC2)N2CCCC2)CC1 ZINC000352800983 404632944 /nfs/dbraw/zinc/63/29/44/404632944.db2.gz QUBHSOLOAUZJBE-QGZVFWFLSA-N 1 3 307.482 2.192 20 0 DEADHO CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000352900667 404686547 /nfs/dbraw/zinc/68/65/47/404686547.db2.gz JUJFULZMKFRARM-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO Cc1ccc([C@@H](C)[N@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)c(C)c1 ZINC000414670633 404704503 /nfs/dbraw/zinc/70/45/03/404704503.db2.gz DIHXOHVKDVQONF-SJORKVTESA-N 1 3 317.477 2.494 20 0 DEADHO Cc1ccc([C@@H](C)[N@@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)c(C)c1 ZINC000414670633 404704505 /nfs/dbraw/zinc/70/45/05/404704505.db2.gz DIHXOHVKDVQONF-SJORKVTESA-N 1 3 317.477 2.494 20 0 DEADHO CCC[N@@H+](Cc1ccc(F)cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414674538 404706314 /nfs/dbraw/zinc/70/63/14/404706314.db2.gz KOEZYMQFTZJIGB-MRXNPFEDSA-N 1 3 321.440 2.235 20 0 DEADHO CCC[N@H+](Cc1ccc(F)cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414674538 404706315 /nfs/dbraw/zinc/70/63/15/404706315.db2.gz KOEZYMQFTZJIGB-MRXNPFEDSA-N 1 3 321.440 2.235 20 0 DEADHO C[C@@H]1C[C@@H](CN2CCN(c3ccc(Cl)cn3)CC2)CC[NH2+]1 ZINC000414680566 404706790 /nfs/dbraw/zinc/70/67/90/404706790.db2.gz UQTCXZRPGRPEDC-KGLIPLIRSA-N 1 3 308.857 2.245 20 0 DEADHO c1cc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c2c(c1)OCCO2 ZINC000414772397 404729596 /nfs/dbraw/zinc/72/95/96/404729596.db2.gz BUQCSVXMVYBWAY-HUUCEWRRSA-N 1 3 302.418 2.279 20 0 DEADHO c1cc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c2c(c1)OCCO2 ZINC000414772394 404729620 /nfs/dbraw/zinc/72/96/20/404729620.db2.gz BUQCSVXMVYBWAY-GJZGRUSLSA-N 1 3 302.418 2.279 20 0 DEADHO Cn1c2ccc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)cc2sc1=O ZINC000414772986 404730569 /nfs/dbraw/zinc/73/05/69/404730569.db2.gz WBCVCDJZFILLIJ-OKILXGFUSA-N 1 3 317.458 2.031 20 0 DEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000414795341 404737700 /nfs/dbraw/zinc/73/77/00/404737700.db2.gz GSECEKLBAWPCHM-WMZOPIPTSA-N 1 3 302.466 2.153 20 0 DEADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC(C)(C)N ZINC000414805329 404739731 /nfs/dbraw/zinc/73/97/31/404739731.db2.gz OPHVOKDPPYQLCH-LBPRGKRZSA-N 1 3 311.857 2.404 20 0 DEADHO CCCC[C@@H](C[NH3+])N[C@H](C)Cn1cc(Br)cn1 ZINC000414811488 404740192 /nfs/dbraw/zinc/74/01/92/404740192.db2.gz JFYUUXZYZJOWPZ-PWSUYJOCSA-N 1 3 303.248 2.141 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000365898283 404741562 /nfs/dbraw/zinc/74/15/62/404741562.db2.gz UZLWXGFFPLZOFT-UHFFFAOYSA-N 1 3 315.461 2.449 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000365898283 404741566 /nfs/dbraw/zinc/74/15/66/404741566.db2.gz UZLWXGFFPLZOFT-UHFFFAOYSA-N 1 3 315.461 2.449 20 0 DEADHO Fc1ccc(CCN2CCC([NH2+][C@@H]3CCCNC3)CC2)cc1 ZINC000414872232 404753767 /nfs/dbraw/zinc/75/37/67/404753767.db2.gz WGDMUUDWNVYBFR-GOSISDBHSA-N 1 3 305.441 2.174 20 0 DEADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC[C@@H]2CCSC2)cc1 ZINC000414892663 404760787 /nfs/dbraw/zinc/76/07/87/404760787.db2.gz XHIFKDLXBOHHEU-JQFCIGGWSA-N 1 3 306.475 2.483 20 0 DEADHO [NH3+][C@H](CNC1CCN(C(=O)c2ccccc2Cl)CC1)C1CC1 ZINC000414894906 404761025 /nfs/dbraw/zinc/76/10/25/404761025.db2.gz VABTYPGGIPBJRC-MRXNPFEDSA-N 1 3 321.852 2.272 20 0 DEADHO [NH3+]CCCCNCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000414914139 404765085 /nfs/dbraw/zinc/76/50/85/404765085.db2.gz XCGFDPWOLQSVSS-UHFFFAOYSA-N 1 3 305.403 2.367 20 0 DEADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)N1CCC[C@H]2CCCC[C@@H]21 ZINC000358519966 404765271 /nfs/dbraw/zinc/76/52/71/404765271.db2.gz ULITUBUOKCKBDT-SJORKVTESA-N 1 3 319.493 2.243 20 0 DEADHO C[C@H](CC(=O)NCCc1ccccc1)NC[C@]1(C)CCC[NH2+]C1 ZINC000414918740 404766541 /nfs/dbraw/zinc/76/65/41/404766541.db2.gz VBVGWYJAJFPMJH-VQIMIIECSA-N 1 3 317.477 2.103 20 0 DEADHO C[C@H](CC(=O)NCCc1ccccc1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414918740 404766544 /nfs/dbraw/zinc/76/65/44/404766544.db2.gz VBVGWYJAJFPMJH-VQIMIIECSA-N 1 3 317.477 2.103 20 0 DEADHO CC1(C)CCCN[C@@H]1C[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000414929248 404768660 /nfs/dbraw/zinc/76/86/60/404768660.db2.gz ODHAKSMDEQEPPM-GOSISDBHSA-N 1 3 316.493 2.414 20 0 DEADHO CC1(C)CCC[NH2+][C@@H]1CNC1CCN(Cc2cccnc2)CC1 ZINC000414929248 404768661 /nfs/dbraw/zinc/76/86/61/404768661.db2.gz ODHAKSMDEQEPPM-GOSISDBHSA-N 1 3 316.493 2.414 20 0 DEADHO [NH3+]CCCN1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000414738338 404720218 /nfs/dbraw/zinc/72/02/18/404720218.db2.gz JCYGRDNGNONSIT-UHFFFAOYSA-N 1 3 313.804 2.478 20 0 DEADHO COc1cc(N2CCN(C[C@H]3CC[NH2+][C@H](C)C3)CC2)ccc1F ZINC000414760528 404726721 /nfs/dbraw/zinc/72/67/21/404726721.db2.gz HFQPUWUMYOLVPB-CABCVRRESA-N 1 3 321.440 2.344 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000358870143 404778116 /nfs/dbraw/zinc/77/81/16/404778116.db2.gz ZMXIWGNMKOGJTK-JKIFEVAISA-N 1 3 321.440 2.105 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000358870143 404778120 /nfs/dbraw/zinc/77/81/20/404778120.db2.gz ZMXIWGNMKOGJTK-JKIFEVAISA-N 1 3 321.440 2.105 20 0 DEADHO Cc1ccc(F)cc1CNC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414994574 404783071 /nfs/dbraw/zinc/78/30/71/404783071.db2.gz VOONIDQRXPNWTC-AWEZNQCLSA-N 1 3 319.346 2.060 20 0 DEADHO CC(C)C[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)N1CCOCC1 ZINC000353460764 404836695 /nfs/dbraw/zinc/83/66/95/404836695.db2.gz LIHOPZCWAHOTHI-FCGDIQPGSA-N 1 3 323.525 2.196 20 0 DEADHO CC(C)C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)N1CCOCC1 ZINC000353460764 404836697 /nfs/dbraw/zinc/83/66/97/404836697.db2.gz LIHOPZCWAHOTHI-FCGDIQPGSA-N 1 3 323.525 2.196 20 0 DEADHO C[C@H](CCC[NH3+])NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000415024399 404790295 /nfs/dbraw/zinc/79/02/95/404790295.db2.gz OYFUVLUMTHLIDO-SNVBAGLBSA-N 1 3 311.792 2.277 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000353458683 404836937 /nfs/dbraw/zinc/83/69/37/404836937.db2.gz FEPUXQBEEBGWBD-QGZVFWFLSA-N 1 3 317.477 2.439 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000353458683 404836941 /nfs/dbraw/zinc/83/69/41/404836941.db2.gz FEPUXQBEEBGWBD-QGZVFWFLSA-N 1 3 317.477 2.439 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)NCCC[NH2+]C2CC2)cc1 ZINC000415073322 404801450 /nfs/dbraw/zinc/80/14/50/404801450.db2.gz YGHLDUPOYPJJKL-ZDUSSCGKSA-N 1 3 305.422 2.144 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]CCCNC2CC2)cc1 ZINC000415073322 404801452 /nfs/dbraw/zinc/80/14/52/404801452.db2.gz YGHLDUPOYPJJKL-ZDUSSCGKSA-N 1 3 305.422 2.144 20 0 DEADHO C[C@]1(CNC2CCN(C(=O)c3ccccc3F)CC2)CC[NH2+]C1 ZINC000415084951 404804049 /nfs/dbraw/zinc/80/40/49/404804049.db2.gz RZIDHRARLHQPSX-SFHVURJKSA-N 1 3 319.424 2.020 20 0 DEADHO c1sc(CCN[C@@H]2CCC[NH2+]CC2)nc1-c1ccccn1 ZINC000415097299 404806419 /nfs/dbraw/zinc/80/64/19/404806419.db2.gz CQMJIVRSBZYKNN-CYBMUJFWSA-N 1 3 302.447 2.479 20 0 DEADHO CN(C)c1ccccc1CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415115920 404810855 /nfs/dbraw/zinc/81/08/55/404810855.db2.gz AOSHWLWEIVRGMQ-MJGOQNOKSA-N 1 3 317.477 2.471 20 0 DEADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000415119571 404811607 /nfs/dbraw/zinc/81/16/07/404811607.db2.gz FRHQUZYHHVYQQH-MJGOQNOKSA-N 1 3 316.445 2.340 20 0 DEADHO COc1ccc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000415130622 404815106 /nfs/dbraw/zinc/81/51/06/404815106.db2.gz XLBKOAHIUBMIAJ-WMZOPIPTSA-N 1 3 304.434 2.414 20 0 DEADHO Cc1cc(C(F)(F)F)ccc1CN1CCC(O)(C[NH3+])CC1 ZINC000415142207 404818280 /nfs/dbraw/zinc/81/82/80/404818280.db2.gz PJOCUHDKJDJYMP-UHFFFAOYSA-N 1 3 302.340 2.299 20 0 DEADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000353427437 404828661 /nfs/dbraw/zinc/82/86/61/404828661.db2.gz LCQVKFYOISQAHY-QWHCGFSZSA-N 1 3 315.339 2.491 20 0 DEADHO C[C@@H](C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)N1CCCCCC1 ZINC000353439628 404831518 /nfs/dbraw/zinc/83/15/18/404831518.db2.gz XPBVVLXBEJVYML-RDJZCZTQSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000434442075 404896406 /nfs/dbraw/zinc/89/64/06/404896406.db2.gz LVYWQBYPPNHWSL-QGZVFWFLSA-N 1 3 307.482 2.240 20 0 DEADHO COC[C@]1(C)CCN(C/C=C\C[N@@H+]2CC[C@@](C)(COC)C2)C1 ZINC000451200138 404898808 /nfs/dbraw/zinc/89/88/08/404898808.db2.gz GPYRROCJFNBJGJ-OSFIAYCASA-N 1 3 310.482 2.259 20 0 DEADHO COC[C@]1(C)CCN(C/C=C\C[N@H+]2CC[C@@](C)(COC)C2)C1 ZINC000451200138 404898811 /nfs/dbraw/zinc/89/88/11/404898811.db2.gz GPYRROCJFNBJGJ-OSFIAYCASA-N 1 3 310.482 2.259 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCCc3ccc(O)cc32)CC1 ZINC000361082920 404909710 /nfs/dbraw/zinc/90/97/10/404909710.db2.gz WUFLZQKZVUSXGL-BEFAXECRSA-N 1 3 317.477 2.385 20 0 DEADHO CC1(C)CC(NC(=O)NC[C@H](N)c2ccccc2)CC(C)(C)[NH2+]1 ZINC000416788183 404910082 /nfs/dbraw/zinc/91/00/82/404910082.db2.gz AXHSWDDDSHFIQP-HNNXBMFYSA-N 1 3 318.465 2.295 20 0 DEADHO CCC[NH2+]CCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000416787823 404910135 /nfs/dbraw/zinc/91/01/35/404910135.db2.gz PFMLLKHRDFOXTH-QGZVFWFLSA-N 1 3 318.465 2.122 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000416797278 404915163 /nfs/dbraw/zinc/91/51/63/404915163.db2.gz AKOYTLWALGMTJM-BHYGNILZSA-N 1 3 318.465 2.058 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000416801874 404917331 /nfs/dbraw/zinc/91/73/31/404917331.db2.gz HCYGSLNATZBZSQ-BHYGNILZSA-N 1 3 318.465 2.201 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)NCCCC[NH3+])c1ccccc1 ZINC000416834523 404927775 /nfs/dbraw/zinc/92/77/75/404927775.db2.gz DQILFFYFAHCGMN-INIZCTEOSA-N 1 3 306.454 2.108 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N1CCC([NH3+])CC1)c1ccccc1 ZINC000416837577 404929399 /nfs/dbraw/zinc/92/93/99/404929399.db2.gz IBASHHFLZXOOHM-QGZVFWFLSA-N 1 3 318.465 2.202 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)NC(C)(C)C[NH3+])c1ccccc1 ZINC000416837961 404929615 /nfs/dbraw/zinc/92/96/15/404929615.db2.gz IILSELZQJDZXJT-HNNXBMFYSA-N 1 3 306.454 2.106 20 0 DEADHO [NH3+][C@@H]1CCCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000416842068 404931981 /nfs/dbraw/zinc/93/19/81/404931981.db2.gz MPAZNXDKYGJWCS-ZIAGYGMSSA-N 1 3 322.478 2.018 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000417012633 405001759 /nfs/dbraw/zinc/00/17/59/405001759.db2.gz XPXQOGGEOFBBPT-LSDHHAIUSA-N 1 3 324.494 2.182 20 0 DEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)NCCN1CCC[C@H](C)C1 ZINC000361283518 405007835 /nfs/dbraw/zinc/00/78/35/405007835.db2.gz YPKUXDLHNUOMLV-DLBZAZTESA-N 1 3 324.513 2.282 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000417027808 405008454 /nfs/dbraw/zinc/00/84/54/405008454.db2.gz OEJDCEQTBQMVHH-INIZCTEOSA-N 1 3 324.513 2.411 20 0 DEADHO CCO[C@H]1CC[N@H+](CCCN2CCN(C(C)C)CC2)C[C@@H]1C ZINC000451548259 405011935 /nfs/dbraw/zinc/01/19/35/405011935.db2.gz UYMFGHSLPRRBPW-ROUUACIJSA-N 1 3 311.514 2.149 20 0 DEADHO CCO[C@H]1CC[N@@H+](CCCN2CCN(C(C)C)CC2)C[C@@H]1C ZINC000451548259 405011941 /nfs/dbraw/zinc/01/19/41/405011941.db2.gz UYMFGHSLPRRBPW-ROUUACIJSA-N 1 3 311.514 2.149 20 0 DEADHO C[C@@H]1CN(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)[C@@H](C)CN1 ZINC000417046810 405017052 /nfs/dbraw/zinc/01/70/52/405017052.db2.gz PXYSMTJHRNREDB-OAGGEKHMSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1CN(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)[C@@H](C)CN1 ZINC000417046810 405017058 /nfs/dbraw/zinc/01/70/58/405017058.db2.gz PXYSMTJHRNREDB-OAGGEKHMSA-N 1 3 310.486 2.033 20 0 DEADHO CN(CCN1CCCC1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416152871 405038303 /nfs/dbraw/zinc/03/83/03/405038303.db2.gz ZKNDHISGQBBFQC-KRWDZBQOSA-N 1 3 303.450 2.234 20 0 DEADHO CC(C)[C@@H](C[NH3+])C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000382716645 405031985 /nfs/dbraw/zinc/03/19/85/405031985.db2.gz FJLJDZOYUXYRDX-SJLPKXTDSA-N 1 3 317.477 2.340 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000382723026 405032283 /nfs/dbraw/zinc/03/22/83/405032283.db2.gz OXHQOKIWRUKNOT-AEFFLSMTSA-N 1 3 315.461 2.109 20 0 DEADHO CC(C)(CC[NH3+])NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000424043228 404982901 /nfs/dbraw/zinc/98/29/01/404982901.db2.gz BLTNVPYGIKKAGE-MRXNPFEDSA-N 1 3 303.450 2.142 20 0 DEADHO CCCC[N@H+](C)CCNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415971397 404988411 /nfs/dbraw/zinc/98/84/11/404988411.db2.gz JOHBDBKGKKQLCN-UHFFFAOYSA-N 1 3 320.437 2.022 20 0 DEADHO CCCC[N@@H+](C)CCNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415971397 404988417 /nfs/dbraw/zinc/98/84/17/404988417.db2.gz JOHBDBKGKKQLCN-UHFFFAOYSA-N 1 3 320.437 2.022 20 0 DEADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2cc(C)no2)[C@@H](C)C1 ZINC000353995946 404989026 /nfs/dbraw/zinc/98/90/26/404989026.db2.gz MJXZIEJKGIUKAE-WMLDXEAASA-N 1 3 309.454 2.252 20 0 DEADHO CCOCCC[N@H+]1CC[C@@H](NCCc2cc(C)no2)[C@@H](C)C1 ZINC000353995946 404989033 /nfs/dbraw/zinc/98/90/33/404989033.db2.gz MJXZIEJKGIUKAE-WMLDXEAASA-N 1 3 309.454 2.252 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]([NH2+]C)C1)c1ccsc1 ZINC000417001090 404993771 /nfs/dbraw/zinc/99/37/71/404993771.db2.gz DONDHCLPFQGWAD-HUUCEWRRSA-N 1 3 324.494 2.134 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000417005589 404996386 /nfs/dbraw/zinc/99/63/86/404996386.db2.gz JBIYQTZEHGAPOJ-KBPBESRZSA-N 1 3 312.483 2.168 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N1CCC[NH2+]CC1)c1ccsc1 ZINC000417011855 405000462 /nfs/dbraw/zinc/00/04/62/405000462.db2.gz UCHQSHUVLGGZJS-HNNXBMFYSA-N 1 3 324.494 2.136 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N[C@@H]1CCC[NH2+]C1)c1ccsc1 ZINC000417012630 405001235 /nfs/dbraw/zinc/00/12/35/405001235.db2.gz XPXQOGGEOFBBPT-CABCVRRESA-N 1 3 324.494 2.182 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000389932015 405041510 /nfs/dbraw/zinc/04/15/10/405041510.db2.gz LIUGGNKOVLMBQD-SOLBZPMBSA-N 1 3 315.461 2.013 20 0 DEADHO Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C[C@@H](C)CN2CCCC2)c1 ZINC000389969371 405043288 /nfs/dbraw/zinc/04/32/88/405043288.db2.gz RHFYUQHWGDBCKI-MSOLQXFVSA-N 1 3 320.477 2.365 20 0 DEADHO C[NH+](C)C1(CNC(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000416314183 405100878 /nfs/dbraw/zinc/10/08/78/405100878.db2.gz ZLXMHIUPIRCCSX-UHFFFAOYSA-N 1 3 315.461 2.497 20 0 DEADHO C[C@@H]1C[C@@H](NCCNC(=O)CCCc2ccccc2)CC[N@@H+]1C ZINC000424323977 405069108 /nfs/dbraw/zinc/06/91/08/405069108.db2.gz LCGUFYUAPRINCR-AEFFLSMTSA-N 1 3 317.477 2.198 20 0 DEADHO C[C@@H]1C[C@@H](NCCNC(=O)CCCc2ccccc2)CC[N@H+]1C ZINC000424323977 405069110 /nfs/dbraw/zinc/06/91/10/405069110.db2.gz LCGUFYUAPRINCR-AEFFLSMTSA-N 1 3 317.477 2.198 20 0 DEADHO CC1(C)[C@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@H]2CCO[C@@H]21 ZINC000436471032 405084475 /nfs/dbraw/zinc/08/44/75/405084475.db2.gz PEQZTEVCHQQPNC-ZACQAIPSSA-N 1 3 301.434 2.454 20 0 DEADHO C[C@@H](CNC(=O)N(C)CC(C)(C)C[NH3+])N(C)Cc1ccccc1 ZINC000417562644 405091513 /nfs/dbraw/zinc/09/15/13/405091513.db2.gz CHWWVCYYHRSZSX-HNNXBMFYSA-N 1 3 320.481 2.133 20 0 DEADHO CCCCN(C)CCNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000417611597 405092197 /nfs/dbraw/zinc/09/21/97/405092197.db2.gz PLABXRHCCPKIND-MRXNPFEDSA-N 1 3 324.513 2.138 20 0 DEADHO Cc1cc(CN)cc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000424431815 405093094 /nfs/dbraw/zinc/09/30/94/405093094.db2.gz AZFIQYCHZFSIFH-ZBFHGGJFSA-N 1 3 302.422 2.202 20 0 DEADHO Cc1cc(CN)cc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000424431815 405093097 /nfs/dbraw/zinc/09/30/97/405093097.db2.gz AZFIQYCHZFSIFH-ZBFHGGJFSA-N 1 3 302.422 2.202 20 0 DEADHO CN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCCN(C)C1 ZINC000361501469 405104058 /nfs/dbraw/zinc/10/40/58/405104058.db2.gz QPNBSVBHFYOYJN-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCCN(C)C1 ZINC000361501469 405104060 /nfs/dbraw/zinc/10/40/60/405104060.db2.gz QPNBSVBHFYOYJN-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO CN(CC1CCN(C)CC1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361524110 405115522 /nfs/dbraw/zinc/11/55/22/405115522.db2.gz JABCJDMIUXPZQY-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CN(CC1CCN(C)CC1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361524110 405115527 /nfs/dbraw/zinc/11/55/27/405115527.db2.gz JABCJDMIUXPZQY-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000418647941 405148515 /nfs/dbraw/zinc/14/85/15/405148515.db2.gz HGXLDANQHNKMAR-GUYCJALGSA-N 1 3 318.465 2.018 20 0 DEADHO CCN1CCCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000418662401 405157461 /nfs/dbraw/zinc/15/74/61/405157461.db2.gz SXSBEEPNUMLWDR-QGZVFWFLSA-N 1 3 318.465 2.204 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418792885 405203604 /nfs/dbraw/zinc/20/36/04/405203604.db2.gz PHIUIOXEWQTYJT-SJORKVTESA-N 1 3 324.513 2.267 20 0 DEADHO CC[C@@H]([NH3+])CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000418695998 405170496 /nfs/dbraw/zinc/17/04/96/405170496.db2.gz KEMFVKUMFPQHIN-MRXNPFEDSA-N 1 3 318.465 2.030 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000418699448 405171418 /nfs/dbraw/zinc/17/14/18/405171418.db2.gz ASHKPTUJAADLIR-WBVHZDCISA-N 1 3 318.465 2.030 20 0 DEADHO COc1ccc([C@H](CN)C[N@@H+]2CCC3(C2)CCOCC3)cc1 ZINC000420299234 405310882 /nfs/dbraw/zinc/31/08/82/405310882.db2.gz ILPKKLHNGLZWNJ-MRXNPFEDSA-N 1 3 304.434 2.240 20 0 DEADHO COc1ccc([C@H](CN)C[N@H+]2CCC3(C2)CCOCC3)cc1 ZINC000420299234 405310884 /nfs/dbraw/zinc/31/08/84/405310884.db2.gz ILPKKLHNGLZWNJ-MRXNPFEDSA-N 1 3 304.434 2.240 20 0 DEADHO COc1ccc([C@@H](C[NH3+])CN2CCN(C3CCCC3)CC2)cc1 ZINC000420309997 405314395 /nfs/dbraw/zinc/31/43/95/405314395.db2.gz UQSNAESAEDRYAV-KRWDZBQOSA-N 1 3 317.477 2.298 20 0 DEADHO CCOc1ccccc1N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420313605 405315414 /nfs/dbraw/zinc/31/54/14/405315414.db2.gz YDYZTHVAHUYCNY-INIZCTEOSA-N 1 3 303.450 2.207 20 0 DEADHO CN(CC[C@H]1CCC[NH2+]C1)[C@H]1CCN(c2ccccc2)C1=O ZINC000420312373 405315635 /nfs/dbraw/zinc/31/56/35/405315635.db2.gz WVEOIHQNQPZNQJ-WBVHZDCISA-N 1 3 301.434 2.113 20 0 DEADHO COc1ccccc1[C@H]1CNCCN1CC[C@@H]1CCC[NH2+]C1 ZINC000420319135 405318050 /nfs/dbraw/zinc/31/80/50/405318050.db2.gz XEPBFIFUDRDMLB-DOTOQJQBSA-N 1 3 303.450 2.031 20 0 DEADHO C[C@@H](C(=O)NCC1CCCCC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329060 405321433 /nfs/dbraw/zinc/32/14/33/405321433.db2.gz FZUBHQJLGULAEM-BHYGNILZSA-N 1 3 307.482 2.003 20 0 DEADHO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420331382 405322317 /nfs/dbraw/zinc/32/23/17/405322317.db2.gz BVJUIHQUDBEOQG-ADHGMGHFSA-N 1 3 321.509 2.201 20 0 DEADHO C[C@H]1CCCC[C@H]1OCCN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420333605 405323267 /nfs/dbraw/zinc/32/32/67/405323267.db2.gz OEZQTJYDPRODCU-HPBDAGMYSA-N 1 3 310.482 2.410 20 0 DEADHO CC(C)CN(C(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)C(C)C ZINC000420333748 405323443 /nfs/dbraw/zinc/32/34/43/405323443.db2.gz SWMACRZEMKWPTC-DLBZAZTESA-N 1 3 309.498 2.201 20 0 DEADHO NC[C@@H]1C[N@H+](C[C@H]2CCCC(F)(F)C2)CC12CCOCC2 ZINC000420334286 405324060 /nfs/dbraw/zinc/32/40/60/405324060.db2.gz UDEAJKXRFAILCU-UONOGXRCSA-N 1 3 302.409 2.499 20 0 DEADHO NC[C@@H]1C[N@@H+](C[C@H]2CCCC(F)(F)C2)CC12CCOCC2 ZINC000420334286 405324063 /nfs/dbraw/zinc/32/40/63/405324063.db2.gz UDEAJKXRFAILCU-UONOGXRCSA-N 1 3 302.409 2.499 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426331420 405351718 /nfs/dbraw/zinc/35/17/18/405351718.db2.gz RUSSQXIMUVEIFU-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCCN1C1CCCC1 ZINC000440112147 405302153 /nfs/dbraw/zinc/30/21/53/405302153.db2.gz XESAHURZTLTTSB-DJIMGWMZSA-N 1 3 305.466 2.136 20 0 DEADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCCN1C1CCCC1 ZINC000440112147 405302156 /nfs/dbraw/zinc/30/21/56/405302156.db2.gz XESAHURZTLTTSB-DJIMGWMZSA-N 1 3 305.466 2.136 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N(C)C[C@H]1CCCN1C ZINC000420786526 405384413 /nfs/dbraw/zinc/38/44/13/405384413.db2.gz JBTDRIJAPRDBPW-MRXNPFEDSA-N 1 3 312.502 2.234 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)Nc2ccccc2CC[NH+](C)C)CCCN1C ZINC000446569542 405384567 /nfs/dbraw/zinc/38/45/67/405384567.db2.gz PBVQVTFDABCMHE-ZBFHGGJFSA-N 1 3 318.465 2.395 20 0 DEADHO C[C@H](CNC(=O)NC1CCC([NH+](C)C)CC1)N1CCCC[C@@H]1C ZINC000420802454 405387105 /nfs/dbraw/zinc/38/71/05/405387105.db2.gz PPOIWKBVPOTSPG-NJINODPHSA-N 1 3 324.513 2.421 20 0 DEADHO CC[N@@H+]1CC[C@@H](NCCOCC(F)(F)C(F)F)[C@H](C)C1 ZINC000446974518 405397652 /nfs/dbraw/zinc/39/76/52/405397652.db2.gz JENVKGCOEAQMLX-GHMZBOCLSA-N 1 3 300.340 2.223 20 0 DEADHO CC[N@H+]1CC[C@@H](NCCOCC(F)(F)C(F)F)[C@H](C)C1 ZINC000446974518 405397653 /nfs/dbraw/zinc/39/76/53/405397653.db2.gz JENVKGCOEAQMLX-GHMZBOCLSA-N 1 3 300.340 2.223 20 0 DEADHO C[C@@H](CNC(=O)NC[C@H](c1ccccc1)N1CCCC1)[NH+](C)C ZINC000455428804 405408197 /nfs/dbraw/zinc/40/81/97/405408197.db2.gz ICXVUZPHGIUJOM-DOTOQJQBSA-N 1 3 318.465 2.073 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCOCC(F)(F)C(F)F ZINC000447598107 405418364 /nfs/dbraw/zinc/41/83/64/405418364.db2.gz HNMYVNVWJIELNL-VWYCJHECSA-N 1 3 300.340 2.222 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCOCC(F)(F)C(F)F ZINC000447598107 405418367 /nfs/dbraw/zinc/41/83/67/405418367.db2.gz HNMYVNVWJIELNL-VWYCJHECSA-N 1 3 300.340 2.222 20 0 DEADHO CC(C)N1CC[C@H](N(C)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000458443623 405495914 /nfs/dbraw/zinc/49/59/14/405495914.db2.gz UBRHFUGNPZIAMD-RDJZCZTQSA-N 1 3 322.497 2.127 20 0 DEADHO CC(C)N1CC[C@H](N(C)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000458443623 405495920 /nfs/dbraw/zinc/49/59/20/405495920.db2.gz UBRHFUGNPZIAMD-RDJZCZTQSA-N 1 3 322.497 2.127 20 0 DEADHO COCCC[NH+]1CCC(NC[C@H](Cc2ccccc2)OC)CC1 ZINC000638481338 405497248 /nfs/dbraw/zinc/49/72/48/405497248.db2.gz GTAUKVXTTMASHB-IBGZPJMESA-N 1 3 320.477 2.335 20 0 DEADHO CC[NH2+]CC1CCN([C@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000430586045 405462583 /nfs/dbraw/zinc/46/25/83/405462583.db2.gz XVDFZOHMWQIQEM-MRXNPFEDSA-N 1 3 317.477 2.355 20 0 DEADHO CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCC(C[NH3+])CC1 ZINC000430595310 405463501 /nfs/dbraw/zinc/46/35/01/405463501.db2.gz UEGJKVJJWQTIAT-UHFFFAOYSA-N 1 3 317.477 2.484 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCCN(CCC(=O)N2CCc3ccccc32)C1 ZINC000430595642 405463514 /nfs/dbraw/zinc/46/35/14/405463514.db2.gz YEBWSRQBTIJWMC-GOEBONIOSA-N 1 3 301.434 2.025 20 0 DEADHO CC[C@@H](C)[C@@H](C[NH2+]C1CCN(C2CCN(C)CC2)CC1)OC ZINC000638459233 405481609 /nfs/dbraw/zinc/48/16/09/405481609.db2.gz JHKCVKXLYPIZGI-CRAIPNDOSA-N 1 3 311.514 2.196 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000430697671 405492660 /nfs/dbraw/zinc/49/26/60/405492660.db2.gz BQZUFNKCTITJAW-MRXNPFEDSA-N 1 3 303.450 2.256 20 0 DEADHO O=C(CN1CCC2(CC[NH2+]C2)CC1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000431043767 405566739 /nfs/dbraw/zinc/56/67/39/405566739.db2.gz SDTWQXIWHSEDAD-SJORKVTESA-N 1 3 319.493 2.243 20 0 DEADHO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCC2(CC[NH2+]C2)CC1 ZINC000431027021 405563401 /nfs/dbraw/zinc/56/34/01/405563401.db2.gz ZFXOKYIRWQKKEB-NCOADZHNSA-N 1 3 321.509 2.391 20 0 DEADHO C[C@H](CNC(=O)[C@H](CN)c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000430749781 405502734 /nfs/dbraw/zinc/50/27/34/405502734.db2.gz XIWPMTSYRDBXOZ-BFYDXBDKSA-N 1 3 303.450 2.108 20 0 DEADHO C[C@H](CNC(=O)[C@H](CN)c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000430749781 405502741 /nfs/dbraw/zinc/50/27/41/405502741.db2.gz XIWPMTSYRDBXOZ-BFYDXBDKSA-N 1 3 303.450 2.108 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CC[NH2+]C12CCC2)[C@@H](N)c1ccccc1 ZINC000638508795 405516592 /nfs/dbraw/zinc/51/65/92/405516592.db2.gz BCLMQWSORMTPGO-CABCVRRESA-N 1 3 301.434 2.113 20 0 DEADHO C[C@@H]([NH3+])C1CCN([C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000430932343 405532713 /nfs/dbraw/zinc/53/27/13/405532713.db2.gz FEGLJQZSEMOTNQ-PBHICJAKSA-N 1 3 301.434 2.241 20 0 DEADHO C[C@@H]([NH3+])C1CCN(CC(=O)N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC000430935777 405535346 /nfs/dbraw/zinc/53/53/46/405535346.db2.gz RJHXESDFBASOPI-ZIAGYGMSSA-N 1 3 321.440 2.404 20 0 DEADHO CO[C@@H](C[NH2+]Cc1ccccc1CN1CCC(O)CC1)C1CC1 ZINC000638721298 405634435 /nfs/dbraw/zinc/63/44/35/405634435.db2.gz YSIQDUADBJYOIE-IBGZPJMESA-N 1 3 318.461 2.158 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]CCC2(CO)CC2)CC1 ZINC000449580908 405623557 /nfs/dbraw/zinc/62/35/57/405623557.db2.gz VKWXRCPWMCDRPW-UHFFFAOYSA-N 1 3 317.477 2.081 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000431062041 405569326 /nfs/dbraw/zinc/56/93/26/405569326.db2.gz NGMYVSGZTXHEMQ-DJIMGWMZSA-N 1 3 301.434 2.080 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431524811 405639016 /nfs/dbraw/zinc/63/90/16/405639016.db2.gz RCILLHHXWFELBG-SJORKVTESA-N 1 3 303.450 2.280 20 0 DEADHO COc1cccc([C@H](CN[C@H](C)C2C[NH2+]C2)N2CCCC2)c1 ZINC000422751045 405679104 /nfs/dbraw/zinc/67/91/04/405679104.db2.gz BWAZGRHLQOPDNZ-KDOFPFPSSA-N 1 3 303.450 2.030 20 0 DEADHO O=C(Nc1ccc2c(c1)CNC2)c1ccc2c(c1)CC[NH2+]CC2 ZINC000449666667 405673849 /nfs/dbraw/zinc/67/38/49/405673849.db2.gz DYWJBQLGTYXYSM-UHFFFAOYSA-N 1 3 307.397 2.230 20 0 DEADHO c1ccc(OCCCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422779536 405682155 /nfs/dbraw/zinc/68/21/55/405682155.db2.gz BXHGXZSBBNLDPV-KZNAEPCWSA-N 1 3 304.434 2.202 20 0 DEADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H](N)C(C)(C)C ZINC000638834638 405702023 /nfs/dbraw/zinc/70/20/23/405702023.db2.gz HTEGDDBVNXZJKB-DJIMGWMZSA-N 1 3 317.477 2.244 20 0 DEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H](N)C(C)(C)C ZINC000638834638 405702031 /nfs/dbraw/zinc/70/20/31/405702031.db2.gz HTEGDDBVNXZJKB-DJIMGWMZSA-N 1 3 317.477 2.244 20 0 DEADHO CCC1(CC)[C@H](N[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C[C@H]1OC ZINC000422926309 405691956 /nfs/dbraw/zinc/69/19/56/405691956.db2.gz CQNTWLKYVNXVPZ-ZHCJQAHYSA-N 1 3 310.482 2.327 20 0 DEADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000422953993 405693897 /nfs/dbraw/zinc/69/38/97/405693897.db2.gz GUUWBEMCPZYJIY-CVEARBPZSA-N 1 3 301.434 2.073 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+][C@@H]2C[C@@H](O)C2(C)C)CC1 ZINC000494438996 405697090 /nfs/dbraw/zinc/69/70/90/405697090.db2.gz YGJAXKGTPYWDNK-QZTJIDSGSA-N 1 3 317.477 2.078 20 0 DEADHO C/C=C\C[C@H](CO)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423044773 405697942 /nfs/dbraw/zinc/69/79/42/405697942.db2.gz AXCLHZQIRNUUEM-VPYICQFMSA-N 1 3 302.418 2.159 20 0 DEADHO COc1cc(CCN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])ccc1Cl ZINC000423137488 405703328 /nfs/dbraw/zinc/70/33/28/405703328.db2.gz RCNPDCXTGASSJW-OSAQELSMSA-N 1 3 312.841 2.233 20 0 DEADHO COc1cc(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)N)ccc1Cl ZINC000423137488 405703337 /nfs/dbraw/zinc/70/33/37/405703337.db2.gz RCNPDCXTGASSJW-OSAQELSMSA-N 1 3 312.841 2.233 20 0 DEADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000423195381 405717977 /nfs/dbraw/zinc/71/79/77/405717977.db2.gz XWVADQGSZAHRCM-XOYOTBSWSA-N 1 3 306.425 2.412 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@@H](O)COCc2ccccc2)C1 ZINC000568750861 292364840 /nfs/dbraw/zinc/36/48/40/292364840.db2.gz MXOKXDLBLCJOIW-RBUKOAKNSA-N 1 3 320.477 2.274 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC[C@@H](O)COCc2ccccc2)C1 ZINC000568750861 292364842 /nfs/dbraw/zinc/36/48/42/292364842.db2.gz MXOKXDLBLCJOIW-RBUKOAKNSA-N 1 3 320.477 2.274 20 0 DEADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](O)COCc2ccccc2)C1 ZINC000568750861 292364843 /nfs/dbraw/zinc/36/48/43/292364843.db2.gz MXOKXDLBLCJOIW-RBUKOAKNSA-N 1 3 320.477 2.274 20 0 DEADHO C[C@@H](NC[C@H]1CCC[NH2+]C1)c1cccc(OCCN(C)C)c1 ZINC000423219134 405727365 /nfs/dbraw/zinc/72/73/65/405727365.db2.gz WFHIWQBLELFKRX-CVEARBPZSA-N 1 3 305.466 2.277 20 0 DEADHO CC(C)c1ccc([C@H](N)CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000423233278 405732357 /nfs/dbraw/zinc/73/23/57/405732357.db2.gz DIRGKDGZDXNSTC-OKDNKWQNSA-N 1 3 305.466 2.152 20 0 DEADHO COc1ccc(C[NH2+]CCCN2CCCO[C@@H](C)C2)cc1F ZINC000432357277 405752239 /nfs/dbraw/zinc/75/22/39/405752239.db2.gz HEKSRRLYNFVYSR-AWEZNQCLSA-N 1 3 310.413 2.425 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@@H]([NH3+])C2CCC2)N(C)C)cc1 ZINC000423306537 405754718 /nfs/dbraw/zinc/75/47/18/405754718.db2.gz LQECRVYVTYGMEZ-IRXDYDNUSA-N 1 3 303.450 2.095 20 0 DEADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]C[C@H]3CC[C@@H](CO)O3)CC2)C1 ZINC000559872602 405758510 /nfs/dbraw/zinc/75/85/10/405758510.db2.gz ZXTZEIDJRCMFGG-HPBDAGMYSA-N 1 3 310.482 2.159 20 0 DEADHO CN(C(=O)CC1(C[NH3+])CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000423321564 405760421 /nfs/dbraw/zinc/76/04/21/405760421.db2.gz HVFOPALNLMSKSU-KRWDZBQOSA-N 1 3 315.461 2.238 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000423365330 405778392 /nfs/dbraw/zinc/77/83/92/405778392.db2.gz BNGGHNYHWXBHKH-MELADBBJSA-N 1 3 305.422 2.142 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC000423365330 405778400 /nfs/dbraw/zinc/77/84/00/405778400.db2.gz BNGGHNYHWXBHKH-MELADBBJSA-N 1 3 305.422 2.142 20 0 DEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2NCCCC2(C)C)C1 ZINC000423366852 405778832 /nfs/dbraw/zinc/77/88/32/405778832.db2.gz QRHFIZKXJHGVTR-CABCVRRESA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2NCCCC2(C)C)C1 ZINC000423366852 405778836 /nfs/dbraw/zinc/77/88/36/405778836.db2.gz QRHFIZKXJHGVTR-CABCVRRESA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H](C)CCN2)CC1 ZINC000423428669 405803844 /nfs/dbraw/zinc/80/38/44/405803844.db2.gz KPDPRBDCJRLIEM-WBVHZDCISA-N 1 3 309.498 2.249 20 0 DEADHO CC[C@](CN[C@@H]1CCC[C@@H]([NH3+])C1)(C(=O)OC)c1ccccc1 ZINC000584004592 405804885 /nfs/dbraw/zinc/80/48/85/405804885.db2.gz POLBPJDQJVHXOJ-JFIYKMOQSA-N 1 3 304.434 2.367 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)CC[C@H]3CCC[NH2+]3)C2)cc1 ZINC000639003720 405814388 /nfs/dbraw/zinc/81/43/88/405814388.db2.gz CBPAAFOKVAZNPU-MSOLQXFVSA-N 1 3 315.461 2.218 20 0 DEADHO C[C@@H](C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21)N1CCCCCC1 ZINC000639020592 405824208 /nfs/dbraw/zinc/82/42/08/405824208.db2.gz CMIJYLWEUQVMEM-JKSUJKDBSA-N 1 3 315.461 2.415 20 0 DEADHO C[NH2+]CCc1ccccc1C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000423339535 405766640 /nfs/dbraw/zinc/76/66/40/405766640.db2.gz VHLRTVAOMOURGH-CVEARBPZSA-N 1 3 317.477 2.299 20 0 DEADHO [NH3+]CC1(CC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000423345714 405769961 /nfs/dbraw/zinc/76/99/61/405769961.db2.gz YWUYNMFDFYUBLJ-INIZCTEOSA-N 1 3 301.434 2.069 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H](N)c1ccccc1 ZINC000423348139 405771446 /nfs/dbraw/zinc/77/14/46/405771446.db2.gz SSEYHXUHYQGZKM-WMLDXEAASA-N 1 3 315.461 2.313 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[C@H](N)c1ccccc1 ZINC000423348139 405771451 /nfs/dbraw/zinc/77/14/51/405771451.db2.gz SSEYHXUHYQGZKM-WMLDXEAASA-N 1 3 315.461 2.313 20 0 DEADHO CC(C)(C(=O)N[C@H]1CCN(C2CC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000423352872 405773377 /nfs/dbraw/zinc/77/33/77/405773377.db2.gz ANQCEQBUKVSSOU-HOCLYGCPSA-N 1 3 301.434 2.066 20 0 DEADHO CCC[N@H+](CCC1CCOCC1)CCN1CCN(CC)CC1 ZINC000433190358 405893175 /nfs/dbraw/zinc/89/31/75/405893175.db2.gz PMALWBKCJDIYKI-UHFFFAOYSA-N 1 3 311.514 2.153 20 0 DEADHO CCC[N@@H+](CCC1CCOCC1)CCN1CCN(CC)CC1 ZINC000433190358 405893181 /nfs/dbraw/zinc/89/31/81/405893181.db2.gz PMALWBKCJDIYKI-UHFFFAOYSA-N 1 3 311.514 2.153 20 0 DEADHO Cc1cccc(CN2CC[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC000636327545 405893999 /nfs/dbraw/zinc/89/39/99/405893999.db2.gz OGBTUJKUOAKADN-QGZVFWFLSA-N 1 3 315.461 2.027 20 0 DEADHO CC1CC[NH+](C[C@@H]2CCCN(C[C@@H]3CCNC(=O)CC3)C2)CC1 ZINC000450323887 405834837 /nfs/dbraw/zinc/83/48/37/405834837.db2.gz LBGFRTPIYRRBPV-ROUUACIJSA-N 1 3 321.509 2.347 20 0 DEADHO CC1CCN(C[C@@H]2CCC[N@H+](C[C@@H]3CCNC(=O)CC3)C2)CC1 ZINC000450323887 405834846 /nfs/dbraw/zinc/83/48/46/405834846.db2.gz LBGFRTPIYRRBPV-ROUUACIJSA-N 1 3 321.509 2.347 20 0 DEADHO CC1CCN(C[C@@H]2CCC[N@@H+](C[C@@H]3CCNC(=O)CC3)C2)CC1 ZINC000450323887 405834856 /nfs/dbraw/zinc/83/48/56/405834856.db2.gz LBGFRTPIYRRBPV-ROUUACIJSA-N 1 3 321.509 2.347 20 0 DEADHO [NH3+][C@H]1CC[C@H](NC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000639041286 405838408 /nfs/dbraw/zinc/83/84/08/405838408.db2.gz IDSPWOULMMPWLO-QAQDUYKDSA-N 1 3 301.434 2.282 20 0 DEADHO Cc1cnc([C@@H](C)CNC2CC[NH+](CC(C)(C)O)CC2)s1 ZINC000639046986 405842780 /nfs/dbraw/zinc/84/27/80/405842780.db2.gz YXLQCTOIMSWYEH-LBPRGKRZSA-N 1 3 311.495 2.380 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000633801259 405846322 /nfs/dbraw/zinc/84/63/22/405846322.db2.gz WQNPKKSEYGJJBO-AEFFLSMTSA-N 1 3 317.477 2.211 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000633801259 405846330 /nfs/dbraw/zinc/84/63/30/405846330.db2.gz WQNPKKSEYGJJBO-AEFFLSMTSA-N 1 3 317.477 2.211 20 0 DEADHO C[C@H](CC(=O)NCc1ccc(CN(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000423733374 405933657 /nfs/dbraw/zinc/93/36/57/405933657.db2.gz PVHLHJGJYKPYRV-CRAIPNDOSA-N 1 3 317.477 2.390 20 0 DEADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[C@@H](N)c2ccccc2)C1 ZINC000423790587 405967399 /nfs/dbraw/zinc/96/73/99/405967399.db2.gz XTXBBNOKUAUKQU-BRWVUGGUSA-N 1 3 301.434 2.019 20 0 DEADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[C@@H](N)c2ccccc2)C1 ZINC000423790587 405967403 /nfs/dbraw/zinc/96/74/03/405967403.db2.gz XTXBBNOKUAUKQU-BRWVUGGUSA-N 1 3 301.434 2.019 20 0 DEADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000531302256 405939546 /nfs/dbraw/zinc/93/95/46/405939546.db2.gz LJLHSWBOZRVROP-QZTJIDSGSA-N 1 3 315.461 2.061 20 0 DEADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000531302256 405939555 /nfs/dbraw/zinc/93/95/55/405939555.db2.gz LJLHSWBOZRVROP-QZTJIDSGSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@H](C(=O)N(CCN(C)C)Cc1cccc(Cl)c1)C1C[NH2+]C1 ZINC000423747727 405943532 /nfs/dbraw/zinc/94/35/32/405943532.db2.gz PPZIYSBJBCXTGG-ZDUSSCGKSA-N 1 3 323.868 2.086 20 0 DEADHO C[NH+](C)CC1CCC(NC(=O)[C@H](CN)c2ccc(F)cc2)CC1 ZINC000423747067 405943625 /nfs/dbraw/zinc/94/36/25/405943625.db2.gz OUMIYTDCMXYQRR-QWFMPGPPSA-N 1 3 321.440 2.105 20 0 DEADHO C[NH+](C)CC1CCC(NC(=O)C[C@H](N)c2ccccc2)CC1 ZINC000423751778 405946124 /nfs/dbraw/zinc/94/61/24/405946124.db2.gz VMSDCLCXBRHNJN-PREGVCBESA-N 1 3 303.450 2.313 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423755730 405948826 /nfs/dbraw/zinc/94/88/26/405948826.db2.gz FTFQPHJPFTVOAL-SJORKVTESA-N 1 3 309.498 2.474 20 0 DEADHO C[NH+](C)CCCOc1cnccc1CNCCC1CCOCC1 ZINC000639185761 405954457 /nfs/dbraw/zinc/95/44/57/405954457.db2.gz SZSUKNIIMGKSGH-UHFFFAOYSA-N 1 3 321.465 2.318 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000423772241 405955007 /nfs/dbraw/zinc/95/50/07/405955007.db2.gz KSIBCFQYWAUNJN-JYJNAYRXSA-N 1 3 323.868 2.447 20 0 DEADHO CN(C)C[C@H](NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)c1ccc(Cl)cc1 ZINC000423773050 405956968 /nfs/dbraw/zinc/95/69/68/405956968.db2.gz MAAKUUKFUIOZFP-YQQAZPJKSA-N 1 3 321.852 2.059 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000423775201 405958717 /nfs/dbraw/zinc/95/87/17/405958717.db2.gz OKSUJEHAUZVCEJ-AWEZNQCLSA-N 1 3 309.479 2.171 20 0 DEADHO CN(C)C[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423777432 405960526 /nfs/dbraw/zinc/96/05/26/405960526.db2.gz RHUSFICZLOYCEU-IUODEOHRSA-N 1 3 309.841 2.059 20 0 DEADHO C[NH+](C)CCCC(C)(C)NC(=O)NC1CCN(C2CC2)CC1 ZINC000457595024 405912114 /nfs/dbraw/zinc/91/21/14/405912114.db2.gz LTGZXVYKXPRQIS-UHFFFAOYSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H](CC(=O)N1CCN(C2CCCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000423707740 405921836 /nfs/dbraw/zinc/92/18/36/405921836.db2.gz FDMODDGEBBKGLI-IAGOWNOFSA-N 1 3 321.509 2.489 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000433926366 405999393 /nfs/dbraw/zinc/99/93/93/405999393.db2.gz KNMBXOLXIKLKNG-OIISXLGYSA-N 1 3 322.497 2.175 20 0 DEADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000433958169 406004101 /nfs/dbraw/zinc/00/41/01/406004101.db2.gz NCNMJIGFAPMTKM-RDJZCZTQSA-N 1 3 322.497 2.034 20 0 DEADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000433958169 406004103 /nfs/dbraw/zinc/00/41/03/406004103.db2.gz NCNMJIGFAPMTKM-RDJZCZTQSA-N 1 3 322.497 2.034 20 0 DEADHO CC[NH+]1CCC(CNC(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000562438906 406009240 /nfs/dbraw/zinc/00/92/40/406009240.db2.gz UCUFYBZTCDCKHP-KRWDZBQOSA-N 1 3 322.497 2.034 20 0 DEADHO CO[C@@H](CNC[C@H]1CCC[N@H+](CC2CC2)C1)C1CCOCC1 ZINC000639338335 406055165 /nfs/dbraw/zinc/05/51/65/406055165.db2.gz UIXGPLCNTANINZ-AEFFLSMTSA-N 1 3 310.482 2.140 20 0 DEADHO CO[C@@H](CNC[C@H]1CCC[N@@H+](CC2CC2)C1)C1CCOCC1 ZINC000639338335 406055173 /nfs/dbraw/zinc/05/51/73/406055173.db2.gz UIXGPLCNTANINZ-AEFFLSMTSA-N 1 3 310.482 2.140 20 0 DEADHO CO[C@@H](C[NH2+]C[C@H]1CCCN(CC2CC2)C1)C1CCOCC1 ZINC000639338335 406055179 /nfs/dbraw/zinc/05/51/79/406055179.db2.gz UIXGPLCNTANINZ-AEFFLSMTSA-N 1 3 310.482 2.140 20 0 DEADHO CC(C)OC1CC(NCc2ccncc2OCC[NH+](C)C)C1 ZINC000568917986 292377089 /nfs/dbraw/zinc/37/70/89/292377089.db2.gz OEYCUEHZYGUTJV-UHFFFAOYSA-N 1 3 307.438 2.068 20 0 DEADHO C[N@H+](CCc1cnccn1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000639504303 406118936 /nfs/dbraw/zinc/11/89/36/406118936.db2.gz QBNDUWNCKZUJIB-GOSISDBHSA-N 1 3 310.445 2.473 20 0 DEADHO C[N@@H+](CCc1cnccn1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000639504303 406118939 /nfs/dbraw/zinc/11/89/39/406118939.db2.gz QBNDUWNCKZUJIB-GOSISDBHSA-N 1 3 310.445 2.473 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)cc1 ZINC000634458007 406139421 /nfs/dbraw/zinc/13/94/21/406139421.db2.gz MKDXHEOGAJRAST-FUHWJXTLSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)cc1 ZINC000634458007 406139424 /nfs/dbraw/zinc/13/94/24/406139424.db2.gz MKDXHEOGAJRAST-FUHWJXTLSA-N 1 3 315.461 2.027 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000478921050 406157341 /nfs/dbraw/zinc/15/73/41/406157341.db2.gz BJIROKZHKVUVQW-UOVPBQLFSA-N 1 3 315.461 2.326 20 0 DEADHO CN(C)CCOc1cc(C[NH2+][C@H]2CCOC(C)(C)C2)ccn1 ZINC000634681746 406223362 /nfs/dbraw/zinc/22/33/62/406223362.db2.gz XBLXPICWDQANAV-HNNXBMFYSA-N 1 3 307.438 2.069 20 0 DEADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2C)C1 ZINC000519636325 406226022 /nfs/dbraw/zinc/22/60/22/406226022.db2.gz DFDBALYNHVPJLS-IAGOWNOFSA-N 1 3 306.450 2.056 20 0 DEADHO CC(C)C[C@@H](C)N(C)C(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639758966 406237745 /nfs/dbraw/zinc/23/77/45/406237745.db2.gz YSMLAACAOKWMTI-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]2C[C@@H]2[NH3+])cc1 ZINC000569336099 406238730 /nfs/dbraw/zinc/23/87/30/406238730.db2.gz QLMCNEHNBGMTKX-MOPGFXCFSA-N 1 3 323.440 2.379 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NCC=C(C)C)CC2)CC1 ZINC000519834875 406261971 /nfs/dbraw/zinc/26/19/71/406261971.db2.gz TYKWGYITSABDOT-UHFFFAOYSA-N 1 3 307.482 2.265 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](NCCc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000519781634 406252887 /nfs/dbraw/zinc/25/28/87/406252887.db2.gz VFEKXSSOVOGWGT-GDBMZVCRSA-N 1 3 302.397 2.413 20 0 DEADHO N[C@@H]1CCC[C@@H]([NH2+]CCc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000519781634 406252889 /nfs/dbraw/zinc/25/28/89/406252889.db2.gz VFEKXSSOVOGWGT-GDBMZVCRSA-N 1 3 302.397 2.413 20 0 DEADHO CCN(C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)[C@@H]1CCN(C)C1 ZINC000637368594 406281860 /nfs/dbraw/zinc/28/18/60/406281860.db2.gz RHZWIUAQYFMUHW-DLBZAZTESA-N 1 3 322.497 2.129 20 0 DEADHO CCN(C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)[C@@H]1CCN(C)C1 ZINC000637368594 406281864 /nfs/dbraw/zinc/28/18/64/406281864.db2.gz RHZWIUAQYFMUHW-DLBZAZTESA-N 1 3 322.497 2.129 20 0 DEADHO Cc1nc(COc2ccc(CN[C@H](C)C[C@@H](C)[NH3+])cc2)no1 ZINC000520406985 406289990 /nfs/dbraw/zinc/28/99/90/406289990.db2.gz YKDAGBSOQZWLMB-VXGBXAGGSA-N 1 3 304.394 2.172 20 0 DEADHO Cc1ccccc1OC[C@H](O)C[NH2+]CC(C)(C)CN1CCCC1 ZINC000570082852 406342786 /nfs/dbraw/zinc/34/27/86/406342786.db2.gz XSDXCGKQUIKOQK-QGZVFWFLSA-N 1 3 320.477 2.446 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000522102300 406389062 /nfs/dbraw/zinc/38/90/62/406389062.db2.gz KPZGYIRDYWVRTL-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000522102300 406389067 /nfs/dbraw/zinc/38/90/67/406389067.db2.gz KPZGYIRDYWVRTL-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)N2CCCC2)cc1 ZINC000522146646 406394637 /nfs/dbraw/zinc/39/46/37/406394637.db2.gz QDLHNEPKRKOXMC-ZWKOTPCHSA-N 1 3 315.461 2.200 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)N2CCCC2)cc1 ZINC000522146646 406394640 /nfs/dbraw/zinc/39/46/40/406394640.db2.gz QDLHNEPKRKOXMC-ZWKOTPCHSA-N 1 3 315.461 2.200 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)N2CCCC2)cc1 ZINC000522146644 406394968 /nfs/dbraw/zinc/39/49/68/406394968.db2.gz QDLHNEPKRKOXMC-QZTJIDSGSA-N 1 3 315.461 2.200 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)N2CCCC2)cc1 ZINC000522146644 406394970 /nfs/dbraw/zinc/39/49/70/406394970.db2.gz QDLHNEPKRKOXMC-QZTJIDSGSA-N 1 3 315.461 2.200 20 0 DEADHO CC(C)[C@H]1C[C@@H](Nc2cc(N3CCNCC3)cc[nH+]2)CCO1 ZINC000635006166 406397866 /nfs/dbraw/zinc/39/78/66/406397866.db2.gz AUBBTJRCDRVWDH-GOEBONIOSA-N 1 3 304.438 2.107 20 0 DEADHO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000570573716 406411698 /nfs/dbraw/zinc/41/16/98/406411698.db2.gz YZMBWHYVIIYGCT-UKRRQHHQSA-N 1 3 316.449 2.129 20 0 DEADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000570573713 406412263 /nfs/dbraw/zinc/41/22/63/406412263.db2.gz YZMBWHYVIIYGCT-DZGCQCFKSA-N 1 3 316.449 2.129 20 0 DEADHO CC[C@@]1(O)CCC[N@@H+]([C@@H](C)CCN2CCC[C@@](O)(CC)C2)C1 ZINC000640033816 406366382 /nfs/dbraw/zinc/36/63/82/406366382.db2.gz RIADWDOAZOYWNS-OKZBNKHCSA-N 1 3 312.498 2.239 20 0 DEADHO CC[C@@]1(O)CCC[N@H+]([C@@H](C)CCN2CCC[C@@](O)(CC)C2)C1 ZINC000640033816 406366387 /nfs/dbraw/zinc/36/63/87/406366387.db2.gz RIADWDOAZOYWNS-OKZBNKHCSA-N 1 3 312.498 2.239 20 0 DEADHO CC[C@@]1(O)CCCN([C@@H](C)CC[N@@H+]2CCC[C@@](O)(CC)C2)C1 ZINC000640033816 406366393 /nfs/dbraw/zinc/36/63/93/406366393.db2.gz RIADWDOAZOYWNS-OKZBNKHCSA-N 1 3 312.498 2.239 20 0 DEADHO CC[C@@]1(O)CCCN([C@@H](C)CC[N@H+]2CCC[C@@](O)(CC)C2)C1 ZINC000640033816 406366401 /nfs/dbraw/zinc/36/64/01/406366401.db2.gz RIADWDOAZOYWNS-OKZBNKHCSA-N 1 3 312.498 2.239 20 0 DEADHO C[NH+](C)[C@H]1CCC[C@H](NC[C@@H](O)COCc2ccccc2)C1 ZINC000570274222 406370153 /nfs/dbraw/zinc/37/01/53/406370153.db2.gz YKNXTRCAERHQDH-OKZBNKHCSA-N 1 3 306.450 2.027 20 0 DEADHO CN(C)[C@H]1CCC[C@H]([NH2+]C[C@@H](O)COCc2ccccc2)C1 ZINC000570274222 406370156 /nfs/dbraw/zinc/37/01/56/406370156.db2.gz YKNXTRCAERHQDH-OKZBNKHCSA-N 1 3 306.450 2.027 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000547732128 406440058 /nfs/dbraw/zinc/44/00/58/406440058.db2.gz MTFBEUIOBRIFKH-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000547732128 406440061 /nfs/dbraw/zinc/44/00/61/406440061.db2.gz MTFBEUIOBRIFKH-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO O=C(Cc1cccc2c1CC[NH2+]C2)Nc1cccc2c1CCNC2 ZINC000637842586 406442502 /nfs/dbraw/zinc/44/25/02/406442502.db2.gz ZWEGNZQGAAXTKP-UHFFFAOYSA-N 1 3 321.424 2.159 20 0 DEADHO CC[NH2+][C@@H](C)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000638099791 406568927 /nfs/dbraw/zinc/56/89/27/406568927.db2.gz JEUYYIZULBFLGA-GJZGRUSLSA-N 1 3 303.450 2.326 20 0 DEADHO CC1CCC(N2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)CC1 ZINC000635573152 406598863 /nfs/dbraw/zinc/59/88/63/406598863.db2.gz SABPSZXLRTUKMW-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000641091132 406623892 /nfs/dbraw/zinc/62/38/92/406623892.db2.gz MOJDCYIGIKFJQP-QGZVFWFLSA-N 1 3 324.513 2.282 20 0 DEADHO CC[NH2+][C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000638103613 406571699 /nfs/dbraw/zinc/57/16/99/406571699.db2.gz RPWZVVUCBIJEKV-INMHGKMJSA-N 1 3 303.450 2.154 20 0 DEADHO CN1CCC[C@H](CNC(=O)C2=CC[C@@H]([NH3+])C2)[C@@H]1c1cccs1 ZINC000638123470 406581817 /nfs/dbraw/zinc/58/18/17/406581817.db2.gz ORFCSJUILFVMAY-IIAWOOMASA-N 1 3 319.474 2.295 20 0 DEADHO CC[NH2+][C@H](C)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000638123866 406582416 /nfs/dbraw/zinc/58/24/16/406582416.db2.gz RJYUPBVLWXOPJO-VNHYZAJKSA-N 1 3 309.479 2.245 20 0 DEADHO C[NH+](C)C/C=C\C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000491686662 406669150 /nfs/dbraw/zinc/66/91/50/406669150.db2.gz RUEDKHKTDIRBHH-NLZINVLXSA-N 1 3 301.434 2.058 20 0 DEADHO CCN1CCC([N@@H+]2CCCN(CCC[C@@H]3CCOC3)CC2)CC1 ZINC000645929112 406704264 /nfs/dbraw/zinc/70/42/64/406704264.db2.gz RRMAMHMLUHRCDD-GOSISDBHSA-N 1 3 323.525 2.295 20 0 DEADHO CCN1CCC([N@H+]2CCCN(CCC[C@@H]3CCOC3)CC2)CC1 ZINC000645929112 406704270 /nfs/dbraw/zinc/70/42/70/406704270.db2.gz RRMAMHMLUHRCDD-GOSISDBHSA-N 1 3 323.525 2.295 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCCC(C)(C)C1 ZINC000527493356 406642887 /nfs/dbraw/zinc/64/28/87/406642887.db2.gz DURFREMXQUGKFQ-OAHLLOKOSA-N 1 3 312.502 2.090 20 0 DEADHO CCCOc1ccc(C[NH2+]C2CCN(CC(C)(C)O)CC2)cn1 ZINC000638375577 406733530 /nfs/dbraw/zinc/73/35/30/406733530.db2.gz GWQJVLSTJDSVBE-UHFFFAOYSA-N 1 3 321.465 2.195 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000646196928 406814347 /nfs/dbraw/zinc/81/43/47/406814347.db2.gz AHXADUORCPOLIQ-HEHGZKQESA-N 1 3 306.454 2.235 20 0 DEADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccnc(OC)c2)CC1 ZINC000556237141 406866085 /nfs/dbraw/zinc/86/60/85/406866085.db2.gz ZQMHJUXVTWCAGI-INIZCTEOSA-N 1 3 320.481 2.159 20 0 DEADHO CCc1nc(C)c(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)o1 ZINC000641817969 406901227 /nfs/dbraw/zinc/90/12/27/406901227.db2.gz ALMGGCSAMMUPEM-ZNMIVQPWSA-N 1 3 307.438 2.264 20 0 DEADHO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000646937266 406929895 /nfs/dbraw/zinc/92/98/95/406929895.db2.gz ITEGUOYAGGDORF-YJBOKZPZSA-N 1 3 322.412 2.023 20 0 DEADHO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000646937266 406929896 /nfs/dbraw/zinc/92/98/96/406929896.db2.gz ITEGUOYAGGDORF-YJBOKZPZSA-N 1 3 322.412 2.023 20 0 DEADHO Clc1ccc2nc(CN[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cn2c1 ZINC000647788086 407050631 /nfs/dbraw/zinc/05/06/31/407050631.db2.gz CAJNTJCAHRRHCI-MBNYWOFBSA-N 1 3 304.825 2.465 20 0 DEADHO CC(C)C[C@H]([NH2+]C1CCC(F)(F)CC1)C(=O)NCCN(C)C ZINC000647297532 406983934 /nfs/dbraw/zinc/98/39/34/406983934.db2.gz IZVFISLYQMMQQY-AWEZNQCLSA-N 1 3 319.440 2.246 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000643380972 406993323 /nfs/dbraw/zinc/99/33/23/406993323.db2.gz UJCJNNCPBFODTG-QQFBHYJXSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H](C(=O)N1CCCCCC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976718 407091485 /nfs/dbraw/zinc/09/14/85/407091485.db2.gz SLUHRTFINRMDNU-KZNAEPCWSA-N 1 3 321.509 2.489 20 0 DEADHO O=C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)NCc1ccccc1 ZINC000647975306 407091770 /nfs/dbraw/zinc/09/17/70/407091770.db2.gz VQFDOBCERULKGG-QZTJIDSGSA-N 1 3 315.461 2.014 20 0 DEADHO Fc1cncc(N2CCN(CCCC3CC[NH2+]CC3)CC2)c1 ZINC000647991498 407095333 /nfs/dbraw/zinc/09/53/33/407095333.db2.gz CWIXHBJISIVLKV-UHFFFAOYSA-N 1 3 306.429 2.123 20 0 DEADHO CC1(C)CN[C@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000644157766 407097273 /nfs/dbraw/zinc/09/72/73/407097273.db2.gz ZXWVYEAOCUGTPA-INIZCTEOSA-N 1 3 301.434 2.261 20 0 DEADHO C[NH+]1CCC2(CC1)CN(C[C@H]1CCOc3ccccc31)CCO2 ZINC000648071636 407114022 /nfs/dbraw/zinc/11/40/22/407114022.db2.gz MAQSCIHWRKGCLC-MRXNPFEDSA-N 1 3 316.445 2.349 20 0 DEADHO O=C(CC[NH2+]C[C@@H]1CCN(C2CC2)C1)Nc1ccccc1F ZINC000644531837 407137437 /nfs/dbraw/zinc/13/74/37/407137437.db2.gz SVWIEPROCJAOFV-ZDUSSCGKSA-N 1 3 305.397 2.228 20 0 DEADHO O=C(CCNC[C@@H]1CC[N@@H+](C2CC2)C1)Nc1ccccc1F ZINC000644531837 407137438 /nfs/dbraw/zinc/13/74/38/407137438.db2.gz SVWIEPROCJAOFV-ZDUSSCGKSA-N 1 3 305.397 2.228 20 0 DEADHO O=C(CCNC[C@@H]1CC[N@H+](C2CC2)C1)Nc1ccccc1F ZINC000644531837 407137441 /nfs/dbraw/zinc/13/74/41/407137441.db2.gz SVWIEPROCJAOFV-ZDUSSCGKSA-N 1 3 305.397 2.228 20 0 DEADHO C[N@H+](C[C@H](O)CNCC1(c2ccc(F)cc2)CCC1)C1CC1 ZINC000644533399 407138004 /nfs/dbraw/zinc/13/80/04/407138004.db2.gz IWBKOAHDIQOAPG-QGZVFWFLSA-N 1 3 306.425 2.292 20 0 DEADHO C[N@@H+](C[C@H](O)CNCC1(c2ccc(F)cc2)CCC1)C1CC1 ZINC000644533399 407138007 /nfs/dbraw/zinc/13/80/07/407138007.db2.gz IWBKOAHDIQOAPG-QGZVFWFLSA-N 1 3 306.425 2.292 20 0 DEADHO C[NH+](C)CCc1ccc(CNC[C@@](C)(O)C(F)(F)F)cc1 ZINC000644629822 407156364 /nfs/dbraw/zinc/15/63/64/407156364.db2.gz JRZPKRAWBFUEAS-CQSZACIVSA-N 1 3 304.356 2.194 20 0 DEADHO CCCN(C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)[C@@H]1CCN(C)C1 ZINC000645361821 407268689 /nfs/dbraw/zinc/26/86/89/407268689.db2.gz ZRRXQMNCVYOPIQ-DLBZAZTESA-N 1 3 324.513 2.090 20 0 DEADHO CCCN(C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)[C@@H]1CCN(C)C1 ZINC000645361821 407268691 /nfs/dbraw/zinc/26/86/91/407268691.db2.gz ZRRXQMNCVYOPIQ-DLBZAZTESA-N 1 3 324.513 2.090 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000645506837 407287067 /nfs/dbraw/zinc/28/70/67/407287067.db2.gz CIDPDTPQVUURMB-HOTGVXAUSA-N 1 3 312.502 2.233 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000645506837 407287070 /nfs/dbraw/zinc/28/70/70/407287070.db2.gz CIDPDTPQVUURMB-HOTGVXAUSA-N 1 3 312.502 2.233 20 0 DEADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC2(O)CCOCC2)CC1 ZINC000305147674 287310803 /nfs/dbraw/zinc/31/08/03/287310803.db2.gz SFSAONVCRARPGO-NVXWUHKLSA-N 1 3 310.482 2.161 20 0 DEADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CC2(O)CCOCC2)CC1 ZINC000305147674 287310806 /nfs/dbraw/zinc/31/08/06/287310806.db2.gz SFSAONVCRARPGO-NVXWUHKLSA-N 1 3 310.482 2.161 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1CCCC(C)C ZINC001423095201 1173072737 /nfs/dbraw/zinc/07/27/37/1173072737.db2.gz UCCGLHHDVZRUDE-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1CCCC(C)C ZINC001423095201 1173072744 /nfs/dbraw/zinc/07/27/44/1173072744.db2.gz UCCGLHHDVZRUDE-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000188760573 225032167 /nfs/dbraw/zinc/03/21/67/225032167.db2.gz MOWQLVIMXPFABN-UKPHBRMFSA-N 1 3 319.424 2.028 20 0 DEADHO COC(=O)c1cc(CN2CCC(CC[NH+](C)C)CC2)n(C)c1C ZINC000291133846 222161853 /nfs/dbraw/zinc/16/18/53/222161853.db2.gz FFQZNMVTLUVJFJ-UHFFFAOYSA-N 1 3 321.465 2.284 20 0 DEADHO CN(C)CCOc1ccc(CC[NH2+][C@H]2COC(C)(C)C2)cc1 ZINC000417907372 229141891 /nfs/dbraw/zinc/14/18/91/229141891.db2.gz HBEBQJVTJCTVQU-MRXNPFEDSA-N 1 3 306.450 2.327 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)NC1CCC([NH3+])CC1 ZINC000418393329 229334401 /nfs/dbraw/zinc/33/44/01/229334401.db2.gz XOMIXPAVYBQWFB-UHFFFAOYSA-N 1 3 324.494 2.091 20 0 DEADHO C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000261610534 287630517 /nfs/dbraw/zinc/63/05/17/287630517.db2.gz AYVLGQUXVFGBNK-NXHRZFHOSA-N 1 3 315.461 2.328 20 0 DEADHO C[C@H]1CCNCC[C@H]1[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000422687673 230164846 /nfs/dbraw/zinc/16/48/46/230164846.db2.gz BTOFUGINMQSVEU-MAUKXSAKSA-N 1 3 302.466 2.024 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCSCc1ccccc1F ZINC000422763567 230194299 /nfs/dbraw/zinc/19/42/99/230194299.db2.gz JGWVVGLLYIOHFF-BJJXKVORSA-N 1 3 312.454 2.401 20 0 DEADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccc2c(c1)OCCO2 ZINC000422759942 230194766 /nfs/dbraw/zinc/19/47/66/230194766.db2.gz PPOBVVZIQSVHRH-LBPRGKRZSA-N 1 3 313.401 2.471 20 0 DEADHO Cc1cc(C)n(CCCN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])n1 ZINC000422768714 230199180 /nfs/dbraw/zinc/19/91/80/230199180.db2.gz ZQPQPFGCUUURSD-AEFFLSMTSA-N 1 3 300.450 2.438 20 0 DEADHO CN(C)C1(C[NH2+][C@H]2CCCCC[C@@H]2N)Cc2ccccc2C1 ZINC000422776122 230203671 /nfs/dbraw/zinc/20/36/71/230203671.db2.gz DBQRVLFDGGNJLS-ROUUACIJSA-N 1 3 301.478 2.335 20 0 DEADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCCO[C@@H](C)c1ccccc1 ZINC000422793921 230211618 /nfs/dbraw/zinc/21/16/18/230211618.db2.gz XRUDRZCQWJDTHE-CWLKWCNXSA-N 1 3 306.450 2.496 20 0 DEADHO O=C1CCCCN1CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000422864770 230248467 /nfs/dbraw/zinc/24/84/67/230248467.db2.gz VYTCFSCKMUAQAM-IXDOHACOSA-N 1 3 307.482 2.289 20 0 DEADHO O=C1CCCCN1CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422864770 230248474 /nfs/dbraw/zinc/24/84/74/230248474.db2.gz VYTCFSCKMUAQAM-IXDOHACOSA-N 1 3 307.482 2.289 20 0 DEADHO COC1CC[NH+](C(C)(C)CN[C@H](C)c2cnccc2N)CC1 ZINC000422890600 230262164 /nfs/dbraw/zinc/26/21/64/230262164.db2.gz SNFAKAHJXYVBGN-CYBMUJFWSA-N 1 3 306.454 2.034 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000422896113 230265034 /nfs/dbraw/zinc/26/50/34/230265034.db2.gz HHNGAAXGXOEMBB-LOWVWBTDSA-N 1 3 320.355 2.161 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CCC[C@H]2[NH3+])C[C@@H](C)O1 ZINC000422951079 230291124 /nfs/dbraw/zinc/29/11/24/230291124.db2.gz XKQJHASNWVCPQB-OHDICMOHSA-N 1 3 317.477 2.265 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2N)C[C@@H](C)O1 ZINC000422951079 230291129 /nfs/dbraw/zinc/29/11/29/230291129.db2.gz XKQJHASNWVCPQB-OHDICMOHSA-N 1 3 317.477 2.265 20 0 DEADHO O=C(C1CCC1)N(CCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000422954160 230294412 /nfs/dbraw/zinc/29/44/12/230294412.db2.gz HARDVUKTEFPVTO-XYPWUTKMSA-N 1 3 305.466 2.040 20 0 DEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000422955875 230294506 /nfs/dbraw/zinc/29/45/06/230294506.db2.gz KCZRFSJESWYLBT-DLBZAZTESA-N 1 3 315.461 2.463 20 0 DEADHO C[C@@H](Nc1cccc(CN2CCC(CO)CC2)c1)[C@H]1CCC[NH2+]1 ZINC000422975548 230301816 /nfs/dbraw/zinc/30/18/16/230301816.db2.gz BKBSKPDERMBAEP-DNVCBOLYSA-N 1 3 317.477 2.443 20 0 DEADHO O[C@@]1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[C@H](C(F)(F)F)C1 ZINC000423059619 230333059 /nfs/dbraw/zinc/33/30/59/230333059.db2.gz GDDHLNXOWPXUBD-MWWBDVBNSA-N 1 3 306.372 2.343 20 0 DEADHO Cc1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1S(C)(=O)=O ZINC000423072060 230338249 /nfs/dbraw/zinc/33/82/49/230338249.db2.gz GPAVKLPTYJOBNE-HUUCEWRRSA-N 1 3 310.463 2.006 20 0 DEADHO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CN)cc1S(C)(=O)=O ZINC000423072060 230338254 /nfs/dbraw/zinc/33/82/54/230338254.db2.gz GPAVKLPTYJOBNE-HUUCEWRRSA-N 1 3 310.463 2.006 20 0 DEADHO Cc1ccnc(-c2nnc([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])[n-]2)c1 ZINC000423080081 230343224 /nfs/dbraw/zinc/34/32/24/230343224.db2.gz BIHNZZNQYHXEJH-STQMWFEESA-N 1 3 302.426 2.343 20 0 DEADHO Cc1cccc(OCCC[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)N)c1C ZINC000423088518 230344745 /nfs/dbraw/zinc/34/47/45/230344745.db2.gz QJUVFNVLTOUHRV-BRWVUGGUSA-N 1 3 306.450 2.414 20 0 DEADHO Cc1cccc(OCCCN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])c1C ZINC000423088518 230344750 /nfs/dbraw/zinc/34/47/50/230344750.db2.gz QJUVFNVLTOUHRV-BRWVUGGUSA-N 1 3 306.450 2.414 20 0 DEADHO C[C@H](C[C@H]1COCCN1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423094981 230347248 /nfs/dbraw/zinc/34/72/48/230347248.db2.gz LDMOPJWAEZOEHT-RYRKJORJSA-N 1 3 309.498 2.140 20 0 DEADHO C[C@H](C[C@H]1COCCN1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000423094981 230347251 /nfs/dbraw/zinc/34/72/51/230347251.db2.gz LDMOPJWAEZOEHT-RYRKJORJSA-N 1 3 309.498 2.140 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@](C)(CO)c1ccccc1 ZINC000423105367 230352634 /nfs/dbraw/zinc/35/26/34/230352634.db2.gz IHMORSOKTRBOOR-AUUYWEPGSA-N 1 3 313.445 2.450 20 0 DEADHO Cc1cccc(CNC2(CNC(=O)CCC[NH+](C)C)CC2)c1 ZINC001423259304 1173190750 /nfs/dbraw/zinc/19/07/50/1173190750.db2.gz MNEDQNQZAVMGFQ-UHFFFAOYSA-N 1 3 303.450 2.075 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCNc1ccc2ccccc2n1 ZINC000358399521 424823324 /nfs/dbraw/zinc/82/33/24/424823324.db2.gz MADGOJYBBCOLIC-RKVPGOIHSA-N 1 3 312.461 2.965 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCNc1ccc2ccccc2n1 ZINC000358399521 424823325 /nfs/dbraw/zinc/82/33/25/424823325.db2.gz MADGOJYBBCOLIC-RKVPGOIHSA-N 1 3 312.461 2.965 20 0 DEADHO CN(C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCN(C)CC1 ZINC000170227702 424863232 /nfs/dbraw/zinc/86/32/32/424863232.db2.gz WFAACGWGHBYZAK-KRWDZBQOSA-N 1 3 315.461 2.061 20 0 DEADHO CN(C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCN(C)CC1 ZINC000170227702 424863233 /nfs/dbraw/zinc/86/32/33/424863233.db2.gz WFAACGWGHBYZAK-KRWDZBQOSA-N 1 3 315.461 2.061 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2O)cc1 ZINC000648779100 424905395 /nfs/dbraw/zinc/90/53/95/424905395.db2.gz AAEPFICOYNKBFO-AEFFLSMTSA-N 1 3 306.450 2.268 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000648896123 424924092 /nfs/dbraw/zinc/92/40/92/424924092.db2.gz PZMAWNIHOWNLFY-WQVCFCJDSA-N 1 3 323.868 2.399 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000648896123 424924093 /nfs/dbraw/zinc/92/40/93/424924093.db2.gz PZMAWNIHOWNLFY-WQVCFCJDSA-N 1 3 323.868 2.399 20 0 DEADHO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000648691234 424894446 /nfs/dbraw/zinc/89/44/46/424894446.db2.gz UUGSWYXAUVZOBM-WMZOPIPTSA-N 1 3 306.450 2.220 20 0 DEADHO CC[C@H]1[C@H](CO)CC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000648691234 424894448 /nfs/dbraw/zinc/89/44/48/424894448.db2.gz UUGSWYXAUVZOBM-WMZOPIPTSA-N 1 3 306.450 2.220 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)CCC(C)(C)[NH3+])N(C)C)cc1 ZINC000649278601 424983500 /nfs/dbraw/zinc/98/35/00/424983500.db2.gz PKFNYVCVURYHCS-MRXNPFEDSA-N 1 3 305.466 2.485 20 0 DEADHO CC[C@H](CNC(=O)CCC(C)(C)[NH3+])N1CCc2ccccc2C1 ZINC000649292896 424986722 /nfs/dbraw/zinc/98/67/22/424986722.db2.gz KQXSYDJKCXSGRP-QGZVFWFLSA-N 1 3 317.477 2.457 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CCC(C)(C)[NH3+])C1 ZINC000649307318 424989581 /nfs/dbraw/zinc/98/95/81/424989581.db2.gz GKGZDGPXAMBIAD-ZBFHGGJFSA-N 1 3 303.450 2.456 20 0 DEADHO Cc1ccc(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)c(CN(C)C)c1 ZINC000649334869 424995405 /nfs/dbraw/zinc/99/54/05/424995405.db2.gz SYJJOSJNYFOJKU-ZDUSSCGKSA-N 1 3 311.376 2.240 20 0 DEADHO C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)C1 ZINC000649342934 424997860 /nfs/dbraw/zinc/99/78/60/424997860.db2.gz XTUYFLBRWOABAM-NJAFHUGGSA-N 1 3 315.461 2.107 20 0 DEADHO CCn1nc(C)c(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1C ZINC000650706604 425039882 /nfs/dbraw/zinc/03/98/82/425039882.db2.gz OJEURVSDXGBMEQ-LZLYRXPVSA-N 1 3 320.481 2.238 20 0 DEADHO CC[N@H+](CCCN[C@H](C1CC1)[C@H]1CNCCO1)C1CCCCC1 ZINC000650741756 425046181 /nfs/dbraw/zinc/04/61/81/425046181.db2.gz KTEPWBVHJDSNKF-RTBURBONSA-N 1 3 323.525 2.388 20 0 DEADHO CC[N@@H+](CCCN[C@H](C1CC1)[C@H]1CNCCO1)C1CCCCC1 ZINC000650741756 425046185 /nfs/dbraw/zinc/04/61/85/425046185.db2.gz KTEPWBVHJDSNKF-RTBURBONSA-N 1 3 323.525 2.388 20 0 DEADHO Cc1csc(N2CCN(CC[C@H]3CCC[NH2+]C3)C[C@H]2C)n1 ZINC000649412432 425013898 /nfs/dbraw/zinc/01/38/98/425013898.db2.gz KXVQHBASHZGCJV-HUUCEWRRSA-N 1 3 308.495 2.352 20 0 DEADHO C[C@@H]1CC2(CN1Cc1nc(-c3ccccn3)no1)CC[NH2+]CC2 ZINC000649420903 425014746 /nfs/dbraw/zinc/01/47/46/425014746.db2.gz GOROJVPUBHPSEO-CYBMUJFWSA-N 1 3 313.405 2.096 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000651063197 425095397 /nfs/dbraw/zinc/09/53/97/425095397.db2.gz YVQKIQRFCJZWHN-KRWDZBQOSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000651063197 425095399 /nfs/dbraw/zinc/09/53/99/425095399.db2.gz YVQKIQRFCJZWHN-KRWDZBQOSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000666760869 425176653 /nfs/dbraw/zinc/17/66/53/425176653.db2.gz PBYKSHJYLDBYMD-IRXDYDNUSA-N 1 3 324.513 2.279 20 0 DEADHO CNC(=O)c1ccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000656785929 425188189 /nfs/dbraw/zinc/18/81/89/425188189.db2.gz NJNVANSSHWXODZ-SFHVURJKSA-N 1 3 315.461 2.258 20 0 DEADHO CN(C)[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000666664529 425155631 /nfs/dbraw/zinc/15/56/31/425155631.db2.gz GVLCQBFWAPWSMA-DOTOQJQBSA-N 1 3 322.497 2.129 20 0 DEADHO CN(C)[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000666664529 425155634 /nfs/dbraw/zinc/15/56/34/425155634.db2.gz GVLCQBFWAPWSMA-DOTOQJQBSA-N 1 3 322.497 2.129 20 0 DEADHO CCN(C(=O)NCC1([NH+](C)C)CCCCC1)[C@H]1CCN(CC)C1 ZINC000663426010 425155749 /nfs/dbraw/zinc/15/57/49/425155749.db2.gz XTZCDZGQNPSGOJ-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000660571992 425163786 /nfs/dbraw/zinc/16/37/86/425163786.db2.gz REPSRNLMFIQPMP-BBWFWOEESA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000660571992 425163790 /nfs/dbraw/zinc/16/37/90/425163790.db2.gz REPSRNLMFIQPMP-BBWFWOEESA-N 1 3 322.497 2.033 20 0 DEADHO CCN(C(=O)NC[C@@H](C)C[NH+]1CCCCC1)[C@H]1CCN(CC)C1 ZINC000663756337 425229075 /nfs/dbraw/zinc/22/90/75/425229075.db2.gz VWXSEAZQQCQSTH-SJORKVTESA-N 1 3 324.513 2.234 20 0 DEADHO O=C(NCCC1CC[NH2+]CC1)N1CCN(C2CCCCC2)CC1 ZINC000652316543 425239003 /nfs/dbraw/zinc/23/90/03/425239003.db2.gz ZXBQMSGQFKKLAG-UHFFFAOYSA-N 1 3 322.497 2.036 20 0 DEADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(CCOc3ccccc3F)C2)C1 ZINC000652346013 425242674 /nfs/dbraw/zinc/24/26/74/425242674.db2.gz RCHWOCJQQQCFDT-HDMKZQKVSA-N 1 3 322.424 2.423 20 0 DEADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(CCOc3ccccc3F)C2)C1 ZINC000652346014 425242689 /nfs/dbraw/zinc/24/26/89/425242689.db2.gz RCHWOCJQQQCFDT-IIDMSEBBSA-N 1 3 322.424 2.423 20 0 DEADHO C[NH+](C)C1(CNC(=O)NC[C@H]2CCN2C(C)(C)C)CCCC1 ZINC000660820203 425244779 /nfs/dbraw/zinc/24/47/79/425244779.db2.gz BBWFCTYKDBMHHV-CQSZACIVSA-N 1 3 310.486 2.033 20 0 DEADHO CN1CCC[C@@H](CNC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000660846790 425255547 /nfs/dbraw/zinc/25/55/47/425255547.db2.gz IRMBWPOAPIITTM-HOTGVXAUSA-N 1 3 322.497 2.034 20 0 DEADHO CN1CCC[C@@H](CNC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000660846790 425255548 /nfs/dbraw/zinc/25/55/48/425255548.db2.gz IRMBWPOAPIITTM-HOTGVXAUSA-N 1 3 322.497 2.034 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NCCC[NH+](C(C)C)C(C)C)C1 ZINC000660864176 425260706 /nfs/dbraw/zinc/26/07/06/425260706.db2.gz OULOZYYNZMFWMH-MRXNPFEDSA-N 1 3 312.502 2.279 20 0 DEADHO C[C@H](C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CCCCCC1 ZINC000654311041 425321439 /nfs/dbraw/zinc/32/14/39/425321439.db2.gz MUAQOGMNVYZVHM-IKGGRYGDSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@H](C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12)N1CCCCCC1 ZINC000654311041 425321441 /nfs/dbraw/zinc/32/14/41/425321441.db2.gz MUAQOGMNVYZVHM-IKGGRYGDSA-N 1 3 307.482 2.384 20 0 DEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000661095498 425322048 /nfs/dbraw/zinc/32/20/48/425322048.db2.gz LJCOXZIASMNSMS-HUUCEWRRSA-N 1 3 324.513 2.279 20 0 DEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661095498 425322052 /nfs/dbraw/zinc/32/20/52/425322052.db2.gz LJCOXZIASMNSMS-HUUCEWRRSA-N 1 3 324.513 2.279 20 0 DEADHO C[NH+](C)C1(CNC(=O)N[C@@H]2CCCN3CCCC[C@H]23)CCCC1 ZINC000654349926 425330781 /nfs/dbraw/zinc/33/07/81/425330781.db2.gz SMWILJGMZSWSRB-HZPDHXFCSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000661010072 425297411 /nfs/dbraw/zinc/29/74/11/425297411.db2.gz PJYSFECOGYARKG-HOTGVXAUSA-N 1 3 322.497 2.056 20 0 DEADHO CN(C)CCC[N@H+](C)CCNc1ncnc2c1CCCCC2 ZINC000664247806 425345173 /nfs/dbraw/zinc/34/51/73/425345173.db2.gz INARDQMKFKCXRH-UHFFFAOYSA-N 1 3 305.470 2.041 20 0 DEADHO CN(C)CCC[N@@H+](C)CCNc1ncnc2c1CCCCC2 ZINC000664247806 425345176 /nfs/dbraw/zinc/34/51/76/425345176.db2.gz INARDQMKFKCXRH-UHFFFAOYSA-N 1 3 305.470 2.041 20 0 DEADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654405657 425345642 /nfs/dbraw/zinc/34/56/42/425345642.db2.gz SVDHDTCLHYMWLR-HRCADAONSA-N 1 3 310.486 2.033 20 0 DEADHO CC[NH+]1CCC(CNC(=O)N2CCN(C(C)(C)CC)CC2)CC1 ZINC000654419281 425347868 /nfs/dbraw/zinc/34/78/68/425347868.db2.gz QBNLKDQMDYAKBK-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000661209248 425351869 /nfs/dbraw/zinc/35/18/69/425351869.db2.gz AOCNZCZHQPWTKT-CABCVRRESA-N 1 3 312.502 2.279 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000661209248 425351873 /nfs/dbraw/zinc/35/18/73/425351873.db2.gz AOCNZCZHQPWTKT-CABCVRRESA-N 1 3 312.502 2.279 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000661370759 425392564 /nfs/dbraw/zinc/39/25/64/425392564.db2.gz TWIYBSKIWNCWIW-XHSDSOJGSA-N 1 3 322.497 2.175 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000661370759 425392567 /nfs/dbraw/zinc/39/25/67/425392567.db2.gz TWIYBSKIWNCWIW-XHSDSOJGSA-N 1 3 322.497 2.175 20 0 DEADHO NC(=O)C[C@@H]1CC[N@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000664494361 425397234 /nfs/dbraw/zinc/39/72/34/425397234.db2.gz BCHAZVNIGNIIOL-SFHVURJKSA-N 1 3 315.461 2.370 20 0 DEADHO NC(=O)C[C@@H]1CC[N@@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000664494361 425397237 /nfs/dbraw/zinc/39/72/37/425397237.db2.gz BCHAZVNIGNIIOL-SFHVURJKSA-N 1 3 315.461 2.370 20 0 DEADHO CO[C@@]1(C)C[C@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000657788447 425401470 /nfs/dbraw/zinc/40/14/70/425401470.db2.gz QGNWNFVXOAQMDF-MSOLQXFVSA-N 1 3 304.434 2.428 20 0 DEADHO C[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)C(C)(C)C(F)F ZINC000657881633 425412528 /nfs/dbraw/zinc/41/25/28/425412528.db2.gz XVOLORRWWNVBFM-QWHCGFSZSA-N 1 3 303.441 2.424 20 0 DEADHO C[C@@H](Cn1cncn1)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000657898978 425414020 /nfs/dbraw/zinc/41/40/20/425414020.db2.gz HPBPIFAXHCJWLB-HOTGVXAUSA-N 1 3 301.438 2.167 20 0 DEADHO C[C@@H](Cn1cncn1)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000657898978 425414022 /nfs/dbraw/zinc/41/40/22/425414022.db2.gz HPBPIFAXHCJWLB-HOTGVXAUSA-N 1 3 301.438 2.167 20 0 DEADHO NCc1cc(NC(=O)[C@H]2CCC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC000653136502 425414600 /nfs/dbraw/zinc/41/46/00/425414600.db2.gz RYRMHSSDNAQNJJ-NSHDSACASA-N 1 3 315.339 2.492 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+][C@H]2COC3(CCC3)C2)cc1 ZINC000657630318 425378553 /nfs/dbraw/zinc/37/85/53/425378553.db2.gz BYEBEIFSCDLSLX-MRXNPFEDSA-N 1 3 304.434 2.428 20 0 DEADHO C[NH+](C)CCOc1ccc(CN[C@H]2COC3(CCC3)C2)cc1 ZINC000657630318 425378555 /nfs/dbraw/zinc/37/85/55/425378555.db2.gz BYEBEIFSCDLSLX-MRXNPFEDSA-N 1 3 304.434 2.428 20 0 DEADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000664408142 425379231 /nfs/dbraw/zinc/37/92/31/425379231.db2.gz LRZPONYZJDSAMT-LSDHHAIUSA-N 1 3 310.486 2.033 20 0 DEADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000664408141 425380008 /nfs/dbraw/zinc/38/00/08/425380008.db2.gz LRZPONYZJDSAMT-HUUCEWRRSA-N 1 3 310.486 2.033 20 0 DEADHO O[C@H]1CCN(Cc2ccccc2C[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000657969976 425423124 /nfs/dbraw/zinc/42/31/24/425423124.db2.gz XHZVIAFFQCJIAU-MSOLQXFVSA-N 1 3 316.445 2.054 20 0 DEADHO CCC[N@H+](C)CC(C)(C)NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000664629248 425424021 /nfs/dbraw/zinc/42/40/21/425424021.db2.gz KAGQSXXTOKTZSM-CQSZACIVSA-N 1 3 310.486 2.056 20 0 DEADHO CCC[N@@H+](C)CC(C)(C)NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000664629248 425424023 /nfs/dbraw/zinc/42/40/23/425424023.db2.gz KAGQSXXTOKTZSM-CQSZACIVSA-N 1 3 310.486 2.056 20 0 DEADHO CC(C)(C[NH+]1CCCC1)NC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654737640 425430163 /nfs/dbraw/zinc/43/01/63/425430163.db2.gz LPBRKGHCCPBQLM-HOTGVXAUSA-N 1 3 322.497 2.177 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000653222875 425436763 /nfs/dbraw/zinc/43/67/63/425436763.db2.gz SOYCTXQYUODDPX-MRXNPFEDSA-N 1 3 307.413 2.198 20 0 DEADHO C[C@H](C(=O)NCc1ccc(C[NH3+])cc1F)N1CCCCCC1 ZINC000653223385 425437088 /nfs/dbraw/zinc/43/70/88/425437088.db2.gz LUEKSODRORRCOC-CYBMUJFWSA-N 1 3 307.413 2.165 20 0 DEADHO COC[C@H]([NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1)C(C)C ZINC000658138134 425443727 /nfs/dbraw/zinc/44/37/27/425443727.db2.gz IUXFVSIOPIKGMX-MSOLQXFVSA-N 1 3 306.450 2.014 20 0 DEADHO COCCC[C@@H](C)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658138240 425444195 /nfs/dbraw/zinc/44/41/95/425444195.db2.gz JBXAXQHUHARDRR-CRAIPNDOSA-N 1 3 306.450 2.158 20 0 DEADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@H]1CCCO1 ZINC000658165349 425450037 /nfs/dbraw/zinc/45/00/37/425450037.db2.gz IRSGIPDBAMPCLR-MAUKXSAKSA-N 1 3 303.450 2.451 20 0 DEADHO C[C@@H]1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)C[C@@H]1[NH3+] ZINC000658972040 425514821 /nfs/dbraw/zinc/51/48/21/425514821.db2.gz FQAVSCRDPGPZGW-QAPCUYQASA-N 1 3 315.461 2.094 20 0 DEADHO CO[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000665283805 425536050 /nfs/dbraw/zinc/53/60/50/425536050.db2.gz VMHUECMQCZYMHI-BRSBDYLESA-N 1 3 310.482 2.328 20 0 DEADHO CCN(C(=O)NC1CC[NH+](C2CCC2)CC1)[C@H]1CCN(CC)C1 ZINC000665054607 425498657 /nfs/dbraw/zinc/49/86/57/425498657.db2.gz BAPQHUPCBBKVCC-KRWDZBQOSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@H]2CCN2C(C)(C)C)C1 ZINC000665365661 425553598 /nfs/dbraw/zinc/55/35/98/425553598.db2.gz IQNHYKCYSCFYKQ-LSDHHAIUSA-N 1 3 310.486 2.031 20 0 DEADHO NC[C@H](NC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)c1ccc2ccccc2c1 ZINC000655457870 425572458 /nfs/dbraw/zinc/57/24/58/425572458.db2.gz GLQQUJAYMHQMPW-CMKODMSKSA-N 1 3 323.440 2.346 20 0 DEADHO CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000665554037 425596728 /nfs/dbraw/zinc/59/67/28/425596728.db2.gz DUXYSMFVMNPPKO-HNNXBMFYSA-N 1 3 312.502 2.233 20 0 DEADHO CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC1 ZINC000665556754 425597063 /nfs/dbraw/zinc/59/70/63/425597063.db2.gz CYMJTRDKUOFDCT-OAHLLOKOSA-N 1 3 324.513 2.375 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)N(C)CC(C)(C)[NH3+])c1ccccc1 ZINC000659455175 425607650 /nfs/dbraw/zinc/60/76/50/425607650.db2.gz USTPAIWYGMTPQK-AWEZNQCLSA-N 1 3 320.481 2.495 20 0 DEADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(CCOCc2ccccc2)CC1 ZINC000662281339 425611729 /nfs/dbraw/zinc/61/17/29/425611729.db2.gz JQOCHOIWMXNQKP-OALUTQOASA-N 1 3 318.461 2.422 20 0 DEADHO CC(C)Oc1cccc(CN(C)C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662278770 425609939 /nfs/dbraw/zinc/60/99/39/425609939.db2.gz AKRPVHGAFGYIGC-KRWDZBQOSA-N 1 3 304.434 2.427 20 0 DEADHO CCC[NH+]1CCC(CNC(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000662432296 425650078 /nfs/dbraw/zinc/65/00/78/425650078.db2.gz PXBVAGYHTAOWTC-SFHVURJKSA-N 1 3 315.461 2.459 20 0 DEADHO CO[C@](C)(CO)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000655787544 425656502 /nfs/dbraw/zinc/65/65/02/425656502.db2.gz YJNULPCDTLTHPX-OKYOBFRVSA-N 1 3 318.461 2.169 20 0 DEADHO CO[C@](C)(CO)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000655787544 425656506 /nfs/dbraw/zinc/65/65/06/425656506.db2.gz YJNULPCDTLTHPX-OKYOBFRVSA-N 1 3 318.461 2.169 20 0 DEADHO O=C(c1cccc2c1CNC2)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000662478855 425661207 /nfs/dbraw/zinc/66/12/07/425661207.db2.gz UWDLXSJWQJMQKO-HNNXBMFYSA-N 1 3 313.445 2.238 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000662508445 425670570 /nfs/dbraw/zinc/67/05/70/425670570.db2.gz BWJXFDAHSUPNBY-KRWDZBQOSA-N 1 3 318.465 2.154 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)CC(C)(C)[NH3+])N(C)C ZINC000659492105 425615416 /nfs/dbraw/zinc/61/54/16/425615416.db2.gz JBGVPIRRWMNGSG-ZBFHGGJFSA-N 1 3 320.481 2.365 20 0 DEADHO C[C@@H]1CCCC[C@H]1NC(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295737 425616504 /nfs/dbraw/zinc/61/65/04/425616504.db2.gz RZEQHUWMTDNTNY-KBAYOESNSA-N 1 3 321.509 2.393 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN2CCCC[C@@H]2[C@H](C)CO)cc1 ZINC000662301780 425619191 /nfs/dbraw/zinc/61/91/91/425619191.db2.gz UGTSXKYNDPXRQC-QGPMSJSTSA-N 1 3 306.450 2.220 20 0 DEADHO CC(C)C[C@@H](C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)N(C)C ZINC000655686367 425628180 /nfs/dbraw/zinc/62/81/80/425628180.db2.gz FBSRGPRUCPJEMD-ROUUACIJSA-N 1 3 311.514 2.196 20 0 DEADHO C[C@@H]1CCCCN1CCC[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000655682805 425628812 /nfs/dbraw/zinc/62/88/12/425628812.db2.gz KLEVVMWFADSGJZ-SJLPKXTDSA-N 1 3 309.498 2.094 20 0 DEADHO CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000662347275 425629354 /nfs/dbraw/zinc/62/93/54/425629354.db2.gz ZKIKLXWITDGYKX-ROUUACIJSA-N 1 3 319.493 2.287 20 0 DEADHO C[C@@H](CNC(=O)C[C@H]1NCc2ccccc21)C[NH+]1CCCCC1 ZINC000662394147 425640354 /nfs/dbraw/zinc/64/03/54/425640354.db2.gz BEHQTSDAUKDSBT-MAUKXSAKSA-N 1 3 315.461 2.459 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000665760096 425641595 /nfs/dbraw/zinc/64/15/95/425641595.db2.gz ZEAGCBLDTCEVIK-JYJNAYRXSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000665760096 425641597 /nfs/dbraw/zinc/64/15/97/425641597.db2.gz ZEAGCBLDTCEVIK-JYJNAYRXSA-N 1 3 312.502 2.088 20 0 DEADHO N[C@H](CC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccccc1 ZINC000662593537 425689371 /nfs/dbraw/zinc/68/93/71/425689371.db2.gz LRVPTUVVEJZDLX-ZWKOTPCHSA-N 1 3 315.461 2.315 20 0 DEADHO O=C(c1ccc2c(c1)CNC2)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662594835 425690722 /nfs/dbraw/zinc/69/07/22/425690722.db2.gz SBQRLIDZNZYUGV-KRWDZBQOSA-N 1 3 313.445 2.142 20 0 DEADHO [NH3+]C1(CNC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCCCCC1 ZINC000655961135 425694425 /nfs/dbraw/zinc/69/44/25/425694425.db2.gz IELVPLAWFKWIBG-CVEARBPZSA-N 1 3 322.497 2.354 20 0 DEADHO CC(C)(C)N1CC[C@@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000662621498 425695917 /nfs/dbraw/zinc/69/59/17/425695917.db2.gz IHVWEPVADUTEEC-WJTFHPDPSA-N 1 3 307.482 2.129 20 0 DEADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc2c1CCNC2 ZINC000662696310 425715321 /nfs/dbraw/zinc/71/53/21/425715321.db2.gz WXPUYRLGYOMSGF-HUUCEWRRSA-N 1 3 315.461 2.183 20 0 DEADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc2c1CCNC2 ZINC000662696310 425715324 /nfs/dbraw/zinc/71/53/24/425715324.db2.gz WXPUYRLGYOMSGF-HUUCEWRRSA-N 1 3 315.461 2.183 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc2c1CCNC2 ZINC000662735294 425725527 /nfs/dbraw/zinc/72/55/27/425725527.db2.gz MSWRPODTXRHOKW-MRXNPFEDSA-N 1 3 315.461 2.327 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cccc2c1CCNC2 ZINC000662735294 425725531 /nfs/dbraw/zinc/72/55/31/425725531.db2.gz MSWRPODTXRHOKW-MRXNPFEDSA-N 1 3 315.461 2.327 20 0 DEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c(s2)CCNC3)C[C@@H]1C ZINC000662743622 425726050 /nfs/dbraw/zinc/72/60/50/425726050.db2.gz RIXBEXORPXHWFM-GXTWGEPZSA-N 1 3 321.490 2.339 20 0 DEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc3c(s2)CCNC3)C[C@@H]1C ZINC000662743622 425726053 /nfs/dbraw/zinc/72/60/53/425726053.db2.gz RIXBEXORPXHWFM-GXTWGEPZSA-N 1 3 321.490 2.339 20 0 DEADHO CC[C@H](NC)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000662741063 425726295 /nfs/dbraw/zinc/72/62/95/425726295.db2.gz JYPSKUWDBGCINY-HNNXBMFYSA-N 1 3 302.422 2.139 20 0 DEADHO CN1CCC[C@H](CNC(=O)CC2([NH3+])CC2)[C@H]1c1cccs1 ZINC000662745213 425728326 /nfs/dbraw/zinc/72/83/26/425728326.db2.gz JTNQJVNLQLIEFV-DOMZBBRYSA-N 1 3 307.463 2.129 20 0 DEADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200640 425730563 /nfs/dbraw/zinc/73/05/63/425730563.db2.gz SSPMNXUSAFKZTG-VLUPQCQJSA-N 1 3 323.525 2.385 20 0 DEADHO C[NH+](C)C1(CNC(=O)NC[C@H]2CCN2C(C)(C)C)CCCCC1 ZINC000660283188 425782636 /nfs/dbraw/zinc/78/26/36/425782636.db2.gz GEIAXMRIZVHPGS-OAHLLOKOSA-N 1 3 324.513 2.423 20 0 DEADHO OCc1ccc(CC[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000656517930 425784801 /nfs/dbraw/zinc/78/48/01/425784801.db2.gz JZNJZODRJKQQLX-UHFFFAOYSA-N 1 3 311.429 2.375 20 0 DEADHO CC1(C)CCCN[C@@H]1C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662840587 425745714 /nfs/dbraw/zinc/74/57/14/425745714.db2.gz DAPXNIFJGUQWNW-HZPDHXFCSA-N 1 3 307.482 2.003 20 0 DEADHO CC1(C)CCCN[C@@H]1C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662838530 425746389 /nfs/dbraw/zinc/74/63/89/425746389.db2.gz HWVBGCXYDDOQKZ-JKSUJKDBSA-N 1 3 307.482 2.003 20 0 DEADHO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000666477031 425762000 /nfs/dbraw/zinc/76/20/00/425762000.db2.gz PMIGRRWNNADWLT-WBVHZDCISA-N 1 3 306.450 2.220 20 0 DEADHO C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000666477031 425762003 /nfs/dbraw/zinc/76/20/03/425762003.db2.gz PMIGRRWNNADWLT-WBVHZDCISA-N 1 3 306.450 2.220 20 0 DEADHO CN1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000660472471 425819864 /nfs/dbraw/zinc/81/98/64/425819864.db2.gz LBQWGFFYGPJYKX-ZWKOTPCHSA-N 1 3 309.498 2.048 20 0 DEADHO CN1CCCC[C@H]1CC[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000660472471 425819865 /nfs/dbraw/zinc/81/98/65/425819865.db2.gz LBQWGFFYGPJYKX-ZWKOTPCHSA-N 1 3 309.498 2.048 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCCC[C@H]1C ZINC000663417280 425837484 /nfs/dbraw/zinc/83/74/84/425837484.db2.gz ZUHWCWVYHNHEDX-OWCLPIDISA-N 1 3 312.502 2.136 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCCC[C@H]1C ZINC000663417280 425837485 /nfs/dbraw/zinc/83/74/85/425837485.db2.gz ZUHWCWVYHNHEDX-OWCLPIDISA-N 1 3 312.502 2.136 20 0 DEADHO CC[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(OC)c(OC)c1 ZINC000268887289 268649880 /nfs/dbraw/zinc/64/98/80/268649880.db2.gz ZBKJHZFJRRREKG-JKSUJKDBSA-N 1 3 322.449 2.201 20 0 DEADHO N[C@H](CC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000370861074 269087047 /nfs/dbraw/zinc/08/70/47/269087047.db2.gz LJCXYUGXZHZGBZ-DOTOQJQBSA-N 1 3 301.434 2.210 20 0 DEADHO N[C@H](CC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000370861074 269087049 /nfs/dbraw/zinc/08/70/49/269087049.db2.gz LJCXYUGXZHZGBZ-DOTOQJQBSA-N 1 3 301.434 2.210 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1[NH2+]CCCC1(C)C)N(C)Cc1ccccc1 ZINC000390725908 269097722 /nfs/dbraw/zinc/09/77/22/269097722.db2.gz RCGFQAFHKJREFD-WBVHZDCISA-N 1 3 317.477 2.401 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CCO1 ZINC000397680728 269106995 /nfs/dbraw/zinc/10/69/95/269106995.db2.gz LPIKJAHGJSKLIX-SJLPKXTDSA-N 1 3 318.461 2.171 20 0 DEADHO C[C@H](CCNC(=O)[C@@H](N)C1CCC1)[N@H+](C)Cc1ccccc1 ZINC000398979698 269110591 /nfs/dbraw/zinc/11/05/91/269110591.db2.gz DOGMWRNDZLQRMS-PBHICJAKSA-N 1 3 303.450 2.141 20 0 DEADHO C[C@H](CCNC(=O)[C@@H](N)C1CCC1)[N@@H+](C)Cc1ccccc1 ZINC000398979698 269110593 /nfs/dbraw/zinc/11/05/93/269110593.db2.gz DOGMWRNDZLQRMS-PBHICJAKSA-N 1 3 303.450 2.141 20 0 DEADHO N[C@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)C1CCC1 ZINC000399221519 269111279 /nfs/dbraw/zinc/11/12/79/269111279.db2.gz KVAPFVFFXPFKKO-SFHVURJKSA-N 1 3 315.461 2.416 20 0 DEADHO CC(C)([NH3+])CN[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000401125633 269112066 /nfs/dbraw/zinc/11/20/66/269112066.db2.gz NPJYUCJDCMBOHT-HZSPNIEDSA-N 1 3 311.470 2.349 20 0 DEADHO CN(C(=O)C[C@@H]1CCC[C@H]1[NH3+])[C@H]1CCN(Cc2ccccc2)C1 ZINC000405294319 269112936 /nfs/dbraw/zinc/11/29/36/269112936.db2.gz JUYFYRVEJJUNLM-OKZBNKHCSA-N 1 3 315.461 2.237 20 0 DEADHO CS(=O)(=O)CC1CCC(N[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000423142904 269115373 /nfs/dbraw/zinc/11/53/73/269115373.db2.gz BOXFPKWIBSVTDF-YCUKKYJWSA-N 1 3 322.474 2.324 20 0 DEADHO CN1CCC[C@@H]1CC[N@@H+]1CCCC[C@@H]1COC(=O)NC1CC1 ZINC000496669078 269239158 /nfs/dbraw/zinc/23/91/58/269239158.db2.gz VNEZWIWYYYBGIY-HZPDHXFCSA-N 1 3 309.454 2.214 20 0 DEADHO CN1CCC[C@@H]1CC[N@H+]1CCCC[C@@H]1COC(=O)NC1CC1 ZINC000496669078 269239160 /nfs/dbraw/zinc/23/91/60/269239160.db2.gz VNEZWIWYYYBGIY-HZPDHXFCSA-N 1 3 309.454 2.214 20 0 DEADHO O=C(Oc1ccccc1)N1CCCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000496914236 269266118 /nfs/dbraw/zinc/26/61/18/269266118.db2.gz XMVGCBQZEITTAO-MRXNPFEDSA-N 1 3 317.433 2.193 20 0 DEADHO C[NH+](C)Cc1ccccc1CNC(=O)CN1CCC(C)(C)C1 ZINC000516591674 269365480 /nfs/dbraw/zinc/36/54/80/269365480.db2.gz IMVPLCCNSUGPKV-UHFFFAOYSA-N 1 3 303.450 2.096 20 0 DEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CNC1CC1 ZINC000517238831 269380778 /nfs/dbraw/zinc/38/07/78/269380778.db2.gz HRCQURAZQKWUAM-QWHZDKJVSA-N 1 3 315.461 2.011 20 0 DEADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CNC1CC1 ZINC000517238831 269380779 /nfs/dbraw/zinc/38/07/79/269380779.db2.gz HRCQURAZQKWUAM-QWHZDKJVSA-N 1 3 315.461 2.011 20 0 DEADHO N[C@H]1CCCCC[C@@H]1[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000517918755 269394345 /nfs/dbraw/zinc/39/43/45/269394345.db2.gz ORCVHWQQHKVETE-IRXDYDNUSA-N 1 3 309.498 2.271 20 0 DEADHO COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H](C)CN1CCCC1)CO2 ZINC000295928859 274125311 /nfs/dbraw/zinc/12/53/11/274125311.db2.gz KFQBJJJIPNFNRQ-GDBMZVCRSA-N 1 3 304.434 2.320 20 0 DEADHO O=C1Nc2ccccc2CC[C@@H]1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261899956 275024871 /nfs/dbraw/zinc/02/48/71/275024871.db2.gz OSDXHYVLIJNWFJ-AEFFLSMTSA-N 1 3 313.445 2.404 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CCCCC1 ZINC000354651884 276013854 /nfs/dbraw/zinc/01/38/54/276013854.db2.gz DPRIKGRIVUNWBN-GVDBMIGSSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)N1CCCCC1 ZINC000354651884 276013855 /nfs/dbraw/zinc/01/38/55/276013855.db2.gz DPRIKGRIVUNWBN-GVDBMIGSSA-N 1 3 307.482 2.240 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CCN(C3CC3)CC2)C[C@@H]1C ZINC000361763819 276222500 /nfs/dbraw/zinc/22/25/00/276222500.db2.gz GPDFYJCBSYPIGR-YOEHRIQHSA-N 1 3 322.497 2.127 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC2CCN(C3CC3)CC2)C[C@@H]1C ZINC000361763819 276222501 /nfs/dbraw/zinc/22/25/01/276222501.db2.gz GPDFYJCBSYPIGR-YOEHRIQHSA-N 1 3 322.497 2.127 20 0 DEADHO CC[N@@H+]1CC[C@H](N[C@@H]2COc3cc(OC)ccc3C2)[C@H](C)C1 ZINC000271416472 276231136 /nfs/dbraw/zinc/23/11/36/276231136.db2.gz BIFCVOCGTWNKGZ-KMFMINBZSA-N 1 3 304.434 2.319 20 0 DEADHO CC[N@H+]1CC[C@H](N[C@@H]2COc3cc(OC)ccc3C2)[C@H](C)C1 ZINC000271416472 276231137 /nfs/dbraw/zinc/23/11/37/276231137.db2.gz BIFCVOCGTWNKGZ-KMFMINBZSA-N 1 3 304.434 2.319 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000174180147 276358277 /nfs/dbraw/zinc/35/82/77/276358277.db2.gz YDXCVFFNIMFDPS-OWCLPIDISA-N 1 3 309.498 2.486 20 0 DEADHO CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC000354812590 276373946 /nfs/dbraw/zinc/37/39/46/276373946.db2.gz GGXKVQNEHAIYSK-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CC[N@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC000354812590 276373947 /nfs/dbraw/zinc/37/39/47/276373947.db2.gz GGXKVQNEHAIYSK-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H]1CCC[NH2+]C1)c1ccco1 ZINC000418163723 276618495 /nfs/dbraw/zinc/61/84/95/276618495.db2.gz HONYFNSIMPYCHE-RRFJBIMHSA-N 1 3 322.453 2.008 20 0 DEADHO CC(C)(C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)[C@@H](N)c1ccccc1 ZINC000332305549 277123915 /nfs/dbraw/zinc/12/39/15/277123915.db2.gz GQMMRRGZWVNREU-QAETUUGQSA-N 1 3 315.461 2.298 20 0 DEADHO COCCN1CC[C@H](NC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000358729942 277226974 /nfs/dbraw/zinc/22/69/74/277226974.db2.gz ZJGHWPSOCXPMNV-NZSAHSFTSA-N 1 3 323.525 2.340 20 0 DEADHO CC(C)(C)[C@H](N)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000236679390 277248278 /nfs/dbraw/zinc/24/82/78/277248278.db2.gz GEYSYVMGJXBJGT-JKSUJKDBSA-N 1 3 309.498 2.474 20 0 DEADHO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453242247 277249349 /nfs/dbraw/zinc/24/93/49/277249349.db2.gz PXIZWSFGSISKOD-HPBDAGMYSA-N 1 3 315.461 2.154 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000342766509 278047655 /nfs/dbraw/zinc/04/76/55/278047655.db2.gz VPEUKCKEHAUNAC-RDJZCZTQSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H](NCCCOc1ccc(C(F)(F)F)cn1)C1C[NH2+]C1 ZINC000423067889 278258531 /nfs/dbraw/zinc/25/85/31/278258531.db2.gz ANDYTIOQGRDEPI-JTQLQIEISA-N 1 3 303.328 2.067 20 0 DEADHO C[C@H]([NH2+]CCCOc1ccc(C(F)(F)F)cn1)C1CNC1 ZINC000423067889 278258534 /nfs/dbraw/zinc/25/85/34/278258534.db2.gz ANDYTIOQGRDEPI-JTQLQIEISA-N 1 3 303.328 2.067 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418586616 278315010 /nfs/dbraw/zinc/31/50/10/278315010.db2.gz QJJHFQYIQLRQPQ-HUUCEWRRSA-N 1 3 310.486 2.020 20 0 DEADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361496744 288078439 /nfs/dbraw/zinc/07/84/39/288078439.db2.gz MVIKYEXWWLADJU-JFIYKMOQSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361496744 288078441 /nfs/dbraw/zinc/07/84/41/288078441.db2.gz MVIKYEXWWLADJU-JFIYKMOQSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@H](CC(=O)N[C@H](CN(C)C)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000261638313 279246872 /nfs/dbraw/zinc/24/68/72/279246872.db2.gz CSQPZRAHKMBPNE-BPQIPLTHSA-N 1 3 317.477 2.431 20 0 DEADHO CCN1CCC[C@H](NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C1 ZINC000423354000 279318073 /nfs/dbraw/zinc/31/80/73/279318073.db2.gz MNJURLDNVFICKM-JKSUJKDBSA-N 1 3 303.450 2.313 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185180697 279429801 /nfs/dbraw/zinc/42/98/01/279429801.db2.gz NXAKBBCOWULZGI-UHFFFAOYSA-N 1 3 312.502 2.090 20 0 DEADHO CC(C)N(Cc1ccccc1)C(=O)CN1CCC([C@@H](C)[NH3+])CC1 ZINC000430937279 279459867 /nfs/dbraw/zinc/45/98/67/279459867.db2.gz AQMSRRMDNWSCDM-MRXNPFEDSA-N 1 3 317.477 2.483 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCc3nn(C)cc32)C[C@@H](C)O1 ZINC000358754714 288161334 /nfs/dbraw/zinc/16/13/34/288161334.db2.gz NKYJMVOVJIJONZ-INMHGKMJSA-N 1 3 320.481 2.277 20 0 DEADHO CC[C@H]1CCCC[C@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414205339 288212698 /nfs/dbraw/zinc/21/26/98/288212698.db2.gz XKUVTDPCPGFFDO-ZWKOTPCHSA-N 1 3 323.525 2.341 20 0 DEADHO CC(C)[C@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH+]1CCC(C)CC1 ZINC000362391238 280251103 /nfs/dbraw/zinc/25/11/03/280251103.db2.gz OPUJOKFMWVNZPH-IRXDYDNUSA-N 1 3 311.514 2.445 20 0 DEADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NC[C@@H]1CCCCO1 ZINC000422708472 280493412 /nfs/dbraw/zinc/49/34/12/280493412.db2.gz XSCHQADLUVPOAT-YXJHDRRASA-N 1 3 302.418 2.401 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)NCCC[NH+](CC)CC ZINC000113577573 281056256 /nfs/dbraw/zinc/05/62/56/281056256.db2.gz OYHLTWBATPIMRO-INIZCTEOSA-N 1 3 312.502 2.282 20 0 DEADHO CN1CCC[C@@H](CNC(=O)/C=C\C[NH+](C)C)[C@@H]1c1cccs1 ZINC000491913986 289040884 /nfs/dbraw/zinc/04/08/84/289040884.db2.gz MEKRASRDQYWQNB-GDTYYGRLSA-N 1 3 321.490 2.365 20 0 DEADHO C[NH+](C)CCCC(C)(C)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000458707684 289108428 /nfs/dbraw/zinc/10/84/28/289108428.db2.gz QKXJWZDHOOYBNC-MRXNPFEDSA-N 1 3 324.513 2.423 20 0 DEADHO CN(C)[C@@H](CNC(=O)[C@@H]1[NH2+]CCCC1(C)C)Cc1ccccc1 ZINC000423313971 289285206 /nfs/dbraw/zinc/28/52/06/289285206.db2.gz XNQYOMRKUHNKDS-SJORKVTESA-N 1 3 317.477 2.054 20 0 DEADHO CN(c1ccccc1C[NH2+]CC1(O)CCC1)C1CCN(C)CC1 ZINC000363903673 289785460 /nfs/dbraw/zinc/78/54/60/289785460.db2.gz LELFKVIJROUULY-UHFFFAOYSA-N 1 3 317.477 2.222 20 0 DEADHO CN1CCN(CC[NH2+]C2CCC(C(F)F)CC2)CC1(C)C ZINC000442880267 290043701 /nfs/dbraw/zinc/04/37/01/290043701.db2.gz YAZQBXWYNOKAGA-UHFFFAOYSA-N 1 3 303.441 2.426 20 0 DEADHO C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCCN3C3CCCC3)C2)C1 ZINC000346333205 290250176 /nfs/dbraw/zinc/25/01/76/290250176.db2.gz WWLYTJQKEWCQQN-HKUYNNGSSA-N 1 3 319.493 2.338 20 0 DEADHO C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCCN3C3CCCC3)C2)C1 ZINC000346333205 290250180 /nfs/dbraw/zinc/25/01/80/290250180.db2.gz WWLYTJQKEWCQQN-HKUYNNGSSA-N 1 3 319.493 2.338 20 0 DEADHO C[C@@H]1CN(C[C@H]2CCCN2CCC[NH+]2CCCCC2)C[C@@H](C)O1 ZINC000246677602 297027083 /nfs/dbraw/zinc/02/70/83/297027083.db2.gz FZCPDKZXFNWMDC-GUDVDZBRSA-N 1 3 323.525 2.436 20 0 DEADHO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CCCN2CCCCC2)C[C@@H](C)O1 ZINC000246677602 297027084 /nfs/dbraw/zinc/02/70/84/297027084.db2.gz FZCPDKZXFNWMDC-GUDVDZBRSA-N 1 3 323.525 2.436 20 0 DEADHO C[C@@H]1CN(C[C@H]2CCC[N@H+]2CCCN2CCCCC2)C[C@@H](C)O1 ZINC000246677602 297027086 /nfs/dbraw/zinc/02/70/86/297027086.db2.gz FZCPDKZXFNWMDC-GUDVDZBRSA-N 1 3 323.525 2.436 20 0 DEADHO C[C@@H]1CN(C[C@H]2CCCN2CCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000246677581 297027145 /nfs/dbraw/zinc/02/71/45/297027145.db2.gz FZCPDKZXFNWMDC-CEXWTWQISA-N 1 3 323.525 2.436 20 0 DEADHO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CCCN2CCCCC2)C[C@H](C)O1 ZINC000246677581 297027146 /nfs/dbraw/zinc/02/71/46/297027146.db2.gz FZCPDKZXFNWMDC-CEXWTWQISA-N 1 3 323.525 2.436 20 0 DEADHO C[C@@H]1CN(C[C@H]2CCC[N@H+]2CCCN2CCCCC2)C[C@H](C)O1 ZINC000246677581 297027147 /nfs/dbraw/zinc/02/71/47/297027147.db2.gz FZCPDKZXFNWMDC-CEXWTWQISA-N 1 3 323.525 2.436 20 0 DEADHO [NH3+]C[C@H]1CCC[C@H]1NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000332325314 295273061 /nfs/dbraw/zinc/27/30/61/295273061.db2.gz RHDDDGGDMPGYCY-IAGOWNOFSA-N 1 3 322.497 2.021 20 0 DEADHO O=C(CN1CCC([C@@H]2CCC[NH2+]2)CC1)N(C1CC1)C1CCCC1 ZINC000420342193 295497365 /nfs/dbraw/zinc/49/73/65/295497365.db2.gz XBJWWUFTUNZKCH-SFHVURJKSA-N 1 3 319.493 2.384 20 0 DEADHO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCCCCN1CCCC1 ZINC000340477397 295544147 /nfs/dbraw/zinc/54/41/47/295544147.db2.gz VYGRXONFXCJZDC-JKSUJKDBSA-N 1 3 316.511 2.198 20 0 DEADHO C[C@@H]1COCC[C@@H]1N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423364050 297140638 /nfs/dbraw/zinc/14/06/38/297140638.db2.gz JHRXXRUJYHCQGN-AQMVCYDESA-N 1 3 310.388 2.425 20 0 DEADHO O=C(c1ccc2c(c1)CNC2)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000347503194 304537599 /nfs/dbraw/zinc/53/75/99/304537599.db2.gz OUJUOCQVCDYFEN-SFHVURJKSA-N 1 3 313.445 2.380 20 0 DEADHO C[C@H](CC(=O)N1CCCCCC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000370676327 298287310 /nfs/dbraw/zinc/28/73/10/298287310.db2.gz JMXIWAWQDKVAIA-IXDOHACOSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@H](CC(=O)N1CCCCCC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000370676327 298287312 /nfs/dbraw/zinc/28/73/12/298287312.db2.gz JMXIWAWQDKVAIA-IXDOHACOSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000418691179 298396474 /nfs/dbraw/zinc/39/64/74/298396474.db2.gz QMJZZXLUAHYDIA-OAHLLOKOSA-N 1 3 320.481 2.324 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H](C)[C@H](C)[NH3+])N2CCCC2)cc1 ZINC000249137636 301795148 /nfs/dbraw/zinc/79/51/48/301795148.db2.gz YZCUMNTVKSWCJU-ZOBUZTSGSA-N 1 3 303.450 2.231 20 0 DEADHO Cc1ccccc1[C@@H](C)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423397287 302121291 /nfs/dbraw/zinc/12/12/91/302121291.db2.gz UPGJZHGFBAJOBH-UKRRQHHQSA-N 1 3 315.383 2.482 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC1([NH3+])CCC1)N(C)C ZINC000418176440 302204598 /nfs/dbraw/zinc/20/45/98/302204598.db2.gz GZGVCWYZOMHVQE-HOCLYGCPSA-N 1 3 318.465 2.167 20 0 DEADHO CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H]1CCCCN1CC ZINC000575179711 326225811 /nfs/dbraw/zinc/22/58/11/326225811.db2.gz KHHGFSQQCZWNNO-DLBZAZTESA-N 1 3 303.450 2.239 20 0 DEADHO Cc1ccc(C(=O)N2CCC([NH2+][C@H]3CCC[C@@H](N)C3)CC2)cc1 ZINC000575331245 326234921 /nfs/dbraw/zinc/23/49/21/326234921.db2.gz NQHICEGJNDLXPI-AEFFLSMTSA-N 1 3 315.461 2.459 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000576090769 326268700 /nfs/dbraw/zinc/26/87/00/326268700.db2.gz JYLVBPCWKXUSCC-CQSZACIVSA-N 1 3 316.449 2.389 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000576090769 326268703 /nfs/dbraw/zinc/26/87/03/326268703.db2.gz JYLVBPCWKXUSCC-CQSZACIVSA-N 1 3 316.449 2.389 20 0 DEADHO CC(C)OCc1ccccc1CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000576099478 326268888 /nfs/dbraw/zinc/26/88/88/326268888.db2.gz SPGWRVBZTDZKLB-ZTFGCOKTSA-N 1 3 306.450 2.454 20 0 DEADHO CN1CCN(CCCC[NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000576541158 326301139 /nfs/dbraw/zinc/30/11/39/326301139.db2.gz GEQPRSUQORUHSM-UHFFFAOYSA-N 1 3 303.441 2.428 20 0 DEADHO C[C@H](c1ccncc1)N1CCC([NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000576837192 326323777 /nfs/dbraw/zinc/32/37/77/326323777.db2.gz HHGPCGSYVTTXOW-UWWQBHOKSA-N 1 3 302.466 2.467 20 0 DEADHO CN1CCN(CCCC[NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000577052606 326338990 /nfs/dbraw/zinc/33/89/90/326338990.db2.gz HNBQPNSRWZLNCA-MOPGFXCFSA-N 1 3 301.478 2.407 20 0 DEADHO CCN(C(=O)[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000582847386 337209910 /nfs/dbraw/zinc/20/99/10/337209910.db2.gz MJOOKWVSDNVSCE-OWLYRPNTSA-N 1 3 315.461 2.408 20 0 DEADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000582903789 337213584 /nfs/dbraw/zinc/21/35/84/337213584.db2.gz PEMGNRWSFUHHBH-HUUCEWRRSA-N 1 3 312.502 2.266 20 0 DEADHO CC[NH+]1CCC(NC[C@H](O)COc2ccccc2Cl)CC1 ZINC000395723496 337227197 /nfs/dbraw/zinc/22/71/97/337227197.db2.gz LXGZHIROEKZNON-AWEZNQCLSA-N 1 3 312.841 2.154 20 0 DEADHO CC[NH+]1CCC(NC[C@@H](O)COc2cc(C)cc(C)c2)CC1 ZINC000395743739 337227516 /nfs/dbraw/zinc/22/75/16/337227516.db2.gz VTDJGRDDFXRASV-QGZVFWFLSA-N 1 3 306.450 2.117 20 0 DEADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc(-n3cncn3)cc2)C1 ZINC000583720462 337317823 /nfs/dbraw/zinc/31/78/23/337317823.db2.gz KIAISUDMYBSRAP-AEFFLSMTSA-N 1 3 311.433 2.183 20 0 DEADHO C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc(-n3cncn3)cc2)C1 ZINC000583720462 337317824 /nfs/dbraw/zinc/31/78/24/337317824.db2.gz KIAISUDMYBSRAP-AEFFLSMTSA-N 1 3 311.433 2.183 20 0 DEADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(-n3cncn3)cc2)C1 ZINC000583720462 337317825 /nfs/dbraw/zinc/31/78/25/337317825.db2.gz KIAISUDMYBSRAP-AEFFLSMTSA-N 1 3 311.433 2.183 20 0 DEADHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(-n3cncn3)cc2)C1 ZINC000583720462 337317826 /nfs/dbraw/zinc/31/78/26/337317826.db2.gz KIAISUDMYBSRAP-AEFFLSMTSA-N 1 3 311.433 2.183 20 0 DEADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc(-n3cncn3)cc2)C1 ZINC000583720464 337317879 /nfs/dbraw/zinc/31/78/79/337317879.db2.gz KIAISUDMYBSRAP-SJLPKXTDSA-N 1 3 311.433 2.183 20 0 DEADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc(-n3cncn3)cc2)C1 ZINC000583720464 337317880 /nfs/dbraw/zinc/31/78/80/337317880.db2.gz KIAISUDMYBSRAP-SJLPKXTDSA-N 1 3 311.433 2.183 20 0 DEADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(-n3cncn3)cc2)C1 ZINC000583720464 337317881 /nfs/dbraw/zinc/31/78/81/337317881.db2.gz KIAISUDMYBSRAP-SJLPKXTDSA-N 1 3 311.433 2.183 20 0 DEADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(-n3cncn3)cc2)C1 ZINC000583720464 337317882 /nfs/dbraw/zinc/31/78/82/337317882.db2.gz KIAISUDMYBSRAP-SJLPKXTDSA-N 1 3 311.433 2.183 20 0 DEADHO CC[NH+]1CCC(CNC(=O)[C@H](C(C)C)N2CCCCC2)CC1 ZINC000584670436 337381396 /nfs/dbraw/zinc/38/13/96/337381396.db2.gz AGLMEKBLPSKCCB-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1ccc(NC(=O)N[C@@H](C)C[C@H](C)[NH3+])c(OCCN(C)C)c1 ZINC000577492664 341912511 /nfs/dbraw/zinc/91/25/11/341912511.db2.gz NDVDPBAZUKNZJB-KBPBESRZSA-N 1 3 322.453 2.183 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CC[NH+](CCC1CC1)CC2 ZINC001376628628 1159613099 /nfs/dbraw/zinc/61/30/99/1159613099.db2.gz WAFLMRDHXCFDRQ-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1cccc(C)c1 ZINC001378250712 1152253473 /nfs/dbraw/zinc/25/34/73/1152253473.db2.gz IPSAIAOZJLTWOH-QGZVFWFLSA-N 1 3 317.477 2.464 20 0 DEADHO CC[C@@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1csc(C)c1 ZINC001378321656 1152292395 /nfs/dbraw/zinc/29/23/95/1152292395.db2.gz UFNFXFKFDROJCJ-GJZGRUSLSA-N 1 3 311.495 2.381 20 0 DEADHO CC[C@H](F)C[NH+]1CCC(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001378468253 1152340532 /nfs/dbraw/zinc/34/05/32/1152340532.db2.gz FAZJIQGVEFPGTD-HOTGVXAUSA-N 1 3 313.461 2.047 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC ZINC001099097691 782148098 /nfs/dbraw/zinc/14/80/98/782148098.db2.gz CZJDTFGTRSNKAW-LSDHHAIUSA-N 1 3 315.477 2.293 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC ZINC001099097691 782148106 /nfs/dbraw/zinc/14/81/06/782148106.db2.gz CZJDTFGTRSNKAW-LSDHHAIUSA-N 1 3 315.477 2.293 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+]Cc1ccccc1C ZINC001378622973 1152398228 /nfs/dbraw/zinc/39/82/28/1152398228.db2.gz KILPZXNYTCSFON-CYBMUJFWSA-N 1 3 314.433 2.111 20 0 DEADHO C[C@H](C[NH2+]Cc1ccc(F)cc1)N(C)C(=O)CN(C)C1CCC1 ZINC001378775619 1152442836 /nfs/dbraw/zinc/44/28/36/1152442836.db2.gz MQCPUAZKIZVSPM-CQSZACIVSA-N 1 3 321.440 2.247 20 0 DEADHO C[C@H](NC1CC1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000294821742 533798977 /nfs/dbraw/zinc/79/89/77/533798977.db2.gz RMLHSVFBUZBZPW-HNNXBMFYSA-N 1 3 315.461 2.429 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCC(C)C)[NH+](CC)CC ZINC001400599493 1161780422 /nfs/dbraw/zinc/78/04/22/1161780422.db2.gz UEXCVNQKHQWUPS-YESZJQIVSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[N@H+](C)CC1CCC1 ZINC001368822395 1148690767 /nfs/dbraw/zinc/69/07/67/1148690767.db2.gz OUSMKIUOOCDJPR-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CCC1 ZINC001368822395 1148690770 /nfs/dbraw/zinc/69/07/70/1148690770.db2.gz OUSMKIUOOCDJPR-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1cccc(CN2CCCC2=O)c1 ZINC000422959940 534068567 /nfs/dbraw/zinc/06/85/67/534068567.db2.gz UTCCDYCZGSJRBR-QAPCUYQASA-N 1 3 315.461 2.287 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCOc1cccc(C(F)(F)F)n1 ZINC000423009824 534070097 /nfs/dbraw/zinc/07/00/97/534070097.db2.gz FACKNISYOAXICN-NEPJUHHUSA-N 1 3 317.355 2.457 20 0 DEADHO CC(C)[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccccc2)C1)N(C)C ZINC001368822462 1148690119 /nfs/dbraw/zinc/69/01/19/1148690119.db2.gz LJGCNISRZUZSGQ-ABHNRTSZSA-N 1 3 317.477 2.257 20 0 DEADHO COc1ccc(NC(=O)C[C@@H](C)NCC[C@H]2CCC[NH2+]2)cc1 ZINC000414913420 534087879 /nfs/dbraw/zinc/08/78/79/534087879.db2.gz ZTQRXHRKZZDXGR-ZIAGYGMSSA-N 1 3 305.422 2.144 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2CCCC(C)(C)C)CC[N@H+]1C ZINC001401898225 1162171587 /nfs/dbraw/zinc/17/15/87/1162171587.db2.gz YMOAHNSBFYCSQR-BZUAXINKSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000105127585 519675829 /nfs/dbraw/zinc/67/58/29/519675829.db2.gz FSYYSGYQTBMWSA-IRXDYDNUSA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000105127585 519675832 /nfs/dbraw/zinc/67/58/32/519675832.db2.gz FSYYSGYQTBMWSA-IRXDYDNUSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CCC[C@H]3[NH3+])cc2)C[C@@H](C)O1 ZINC000422806031 534473258 /nfs/dbraw/zinc/47/32/58/534473258.db2.gz HQKONPDNSJESHP-OHDICMOHSA-N 1 3 317.477 2.265 20 0 DEADHO C[C@@H]1CN(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3N)cc2)C[C@@H](C)O1 ZINC000422806031 534473269 /nfs/dbraw/zinc/47/32/69/534473269.db2.gz HQKONPDNSJESHP-OHDICMOHSA-N 1 3 317.477 2.265 20 0 DEADHO CC[NH+](CC)C[C@@H](C)NC(=O)NCCN(C)Cc1ccccc1 ZINC000338481901 520715237 /nfs/dbraw/zinc/71/52/37/520715237.db2.gz IYUGVTRLFXTLDD-MRXNPFEDSA-N 1 3 320.481 2.148 20 0 DEADHO CCN(CCNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C)C1CC1 ZINC000338473368 521058829 /nfs/dbraw/zinc/05/88/29/521058829.db2.gz CRRLQTMLVRBNJU-HUUCEWRRSA-N 1 3 310.486 2.033 20 0 DEADHO CCN(CCNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000338473368 521058838 /nfs/dbraw/zinc/05/88/38/521058838.db2.gz CRRLQTMLVRBNJU-HUUCEWRRSA-N 1 3 310.486 2.033 20 0 DEADHO c1ncn(-c2ccc(CN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc2)n1 ZINC000415033754 534544464 /nfs/dbraw/zinc/54/44/64/534544464.db2.gz BZCQWCDVASBNCJ-FUHWJXTLSA-N 1 3 311.433 2.231 20 0 DEADHO C[C@H](CNC(=O)NCCC[NH2+]C1CCCCC1)N(C)C1CC1 ZINC000105266125 524410904 /nfs/dbraw/zinc/41/09/04/524410904.db2.gz YWLZFXLEDZDATO-CQSZACIVSA-N 1 3 310.486 2.081 20 0 DEADHO C[C@@H](CNC(=O)NCCCCC[NH+]1CCCCC1)N(C)C1CC1 ZINC000111856759 524676135 /nfs/dbraw/zinc/67/61/35/524676135.db2.gz OSPCJWPVBVPHLV-INIZCTEOSA-N 1 3 324.513 2.425 20 0 DEADHO C[C@@H]1C[C@@H](CCNCc2cnnn2C)C[N@@H+]1Cc1ccccc1 ZINC000338177409 525234828 /nfs/dbraw/zinc/23/48/28/525234828.db2.gz FXBDTPOGGFQUKC-NVXWUHKLSA-N 1 3 313.449 2.205 20 0 DEADHO C[C@@H]1C[C@@H](CCNCc2cnnn2C)C[N@H+]1Cc1ccccc1 ZINC000338177409 525234840 /nfs/dbraw/zinc/23/48/40/525234840.db2.gz FXBDTPOGGFQUKC-NVXWUHKLSA-N 1 3 313.449 2.205 20 0 DEADHO CNCc1ccccc1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262290650 536470787 /nfs/dbraw/zinc/47/07/87/536470787.db2.gz YKXABTXZHGCUFN-IHXNAJNRSA-N 1 3 301.434 2.498 20 0 DEADHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCCN1 ZINC000163852281 526656767 /nfs/dbraw/zinc/65/67/67/526656767.db2.gz WXLTULHOYBCMPG-KRWDZBQOSA-N 1 3 301.434 2.041 20 0 DEADHO C(CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)COCC1CCOCC1 ZINC000422783608 527486159 /nfs/dbraw/zinc/48/61/59/527486159.db2.gz NCWFZRXUILRZAW-KSZLIROESA-N 1 3 310.482 2.330 20 0 DEADHO CC(C)C(=O)Nc1ccc(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000422795875 527539266 /nfs/dbraw/zinc/53/92/66/527539266.db2.gz IGFIIXMXDHRNHH-IAOVAPTHSA-N 1 3 319.449 2.123 20 0 DEADHO CCCN(C(=O)NCCN1CCCC[C@@H]1CC)C1CC[NH2+]CC1 ZINC000417694336 527752994 /nfs/dbraw/zinc/75/29/94/527752994.db2.gz CZCCAAVVEOBZBM-INIZCTEOSA-N 1 3 324.513 2.425 20 0 DEADHO COCCCN(C)CC[NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000340248848 536511837 /nfs/dbraw/zinc/51/18/37/536511837.db2.gz XORDBFZJCWJTLU-RTBURBONSA-N 1 3 319.493 2.380 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418550083 528082912 /nfs/dbraw/zinc/08/29/12/528082912.db2.gz SWPFCHGWUZQFRJ-SFHVURJKSA-N 1 3 324.513 2.284 20 0 DEADHO CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCNC(C)(C)C2)cc1 ZINC000418346118 528141810 /nfs/dbraw/zinc/14/18/10/528141810.db2.gz HOXLQLCODFWWQF-MRXNPFEDSA-N 1 3 318.465 2.203 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000418238999 528312805 /nfs/dbraw/zinc/31/28/05/528312805.db2.gz PWKZXYVFUOKTNH-BBWFWOEESA-N 1 3 324.513 2.266 20 0 DEADHO CC[NH2+][C@H](C)CNC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000417625223 528405606 /nfs/dbraw/zinc/40/56/06/528405606.db2.gz LSGMFJWSEFTKNL-HUUCEWRRSA-N 1 3 320.481 2.413 20 0 DEADHO CCOC(=O)C1([C@H](C)N[C@@H](C)c2ccccn2)CC[NH2+]CC1 ZINC000422741649 528613647 /nfs/dbraw/zinc/61/36/47/528613647.db2.gz FDKZPXMRCXGXGX-KBPBESRZSA-N 1 3 305.422 2.054 20 0 DEADHO CCC(CC)[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCCN1)N1CCOCC1 ZINC000422817795 528822752 /nfs/dbraw/zinc/82/27/52/528822752.db2.gz INYKXZSWNCIOCR-RYQLBKOJSA-N 1 3 311.514 2.244 20 0 DEADHO CC[NH+]1CCC(NC(=O)CNC2(c3ccccc3)CCC2)CC1 ZINC000411328242 528979980 /nfs/dbraw/zinc/97/99/80/528979980.db2.gz REBLCAQSQKSHNA-UHFFFAOYSA-N 1 3 315.461 2.256 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NCc2ccc3c(c2)CNC3)CC1 ZINC000444253659 528987935 /nfs/dbraw/zinc/98/79/35/528987935.db2.gz YYJIDWREKILYPU-UHFFFAOYSA-N 1 3 301.434 2.026 20 0 DEADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NCCCC[NH3+] ZINC000418043378 528989947 /nfs/dbraw/zinc/98/99/47/528989947.db2.gz YWBXMJIEBVKIIX-KRWDZBQOSA-N 1 3 320.481 2.181 20 0 DEADHO CCN1CCN(Cc2ccc(N[C@@H](C)[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000422922834 529149383 /nfs/dbraw/zinc/14/93/83/529149383.db2.gz QVXQNEREDIJQLD-WMZOPIPTSA-N 1 3 316.493 2.234 20 0 DEADHO CCN1CCN(Cc2ccc(N[C@@H](C)C[C@@H](C)[NH3+])cc2)CC1 ZINC000422916263 529149398 /nfs/dbraw/zinc/14/93/98/529149398.db2.gz DCYLSDUSLCBUPY-CVEARBPZSA-N 1 3 304.482 2.362 20 0 DEADHO CCN1CCN(Cc2ccc(N[C@H](C)CCC[NH3+])cc2)CC1 ZINC000422922693 529149504 /nfs/dbraw/zinc/14/95/04/529149504.db2.gz QOZFQVISXIZBNS-MRXNPFEDSA-N 1 3 304.482 2.363 20 0 DEADHO CCN1CCN(Cc2ccc(N[C@@H]3CCC[C@H]3[NH3+])cc2)CC1 ZINC000422916778 529149507 /nfs/dbraw/zinc/14/95/07/529149507.db2.gz FAVOWTBAFZOAPM-QZTJIDSGSA-N 1 3 302.466 2.116 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCC(C[NH3+])CC1)c1ccco1 ZINC000418169501 529181893 /nfs/dbraw/zinc/18/18/93/529181893.db2.gz QALKNTIBLRHERI-ZFWWWQNUSA-N 1 3 322.453 2.089 20 0 DEADHO CCCN1CC[C@H](C[NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)C1 ZINC000247150390 534957848 /nfs/dbraw/zinc/95/78/48/534957848.db2.gz SWKWPWKTGSIWLJ-HUUCEWRRSA-N 1 3 314.437 2.045 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C12CCCN1CCC2 ZINC000355346116 535070791 /nfs/dbraw/zinc/07/07/91/535070791.db2.gz KHCNHCVSHHBVLN-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C12CCCN1CCC2 ZINC000355346116 535070793 /nfs/dbraw/zinc/07/07/93/535070793.db2.gz KHCNHCVSHHBVLN-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CC(CN(C)C[C@@H]1CCCOC1)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000346640038 535176804 /nfs/dbraw/zinc/17/68/04/535176804.db2.gz IHGUFMWEQJEHHR-ROUUACIJSA-N 1 3 312.498 2.339 20 0 DEADHO CC(CN(C)C[C@@H]1CCCOC1)C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000346640038 535176809 /nfs/dbraw/zinc/17/68/09/535176809.db2.gz IHGUFMWEQJEHHR-ROUUACIJSA-N 1 3 312.498 2.339 20 0 DEADHO CCCC[N@H+](C)CC1CCN(CCN2CCO[C@@H](C)C2)CC1 ZINC000249096421 535216233 /nfs/dbraw/zinc/21/62/33/535216233.db2.gz VNVGZINULUTPGW-KRWDZBQOSA-N 1 3 311.514 2.151 20 0 DEADHO CCCC[N@@H+](C)CC1CCN(CCN2CCO[C@@H](C)C2)CC1 ZINC000249096421 535216237 /nfs/dbraw/zinc/21/62/37/535216237.db2.gz VNVGZINULUTPGW-KRWDZBQOSA-N 1 3 311.514 2.151 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000349582108 535331870 /nfs/dbraw/zinc/33/18/70/535331870.db2.gz APVLEIRJKYPQHA-UHFFFAOYSA-N 1 3 324.513 2.377 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000246762669 535495974 /nfs/dbraw/zinc/49/59/74/535495974.db2.gz OYHGIKZJDZJRLS-IRXDYDNUSA-N 1 3 307.482 2.195 20 0 DEADHO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC000362679032 535523161 /nfs/dbraw/zinc/52/31/61/535523161.db2.gz CUGUBQWGINIGAQ-HNNXBMFYSA-N 1 3 303.450 2.210 20 0 DEADHO CC[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC000362679032 535523168 /nfs/dbraw/zinc/52/31/68/535523168.db2.gz CUGUBQWGINIGAQ-HNNXBMFYSA-N 1 3 303.450 2.210 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1ccsc1 ZINC000449320344 535674739 /nfs/dbraw/zinc/67/47/39/535674739.db2.gz NKWZWUFPICJJDP-BPLDGKMQSA-N 1 3 309.479 2.103 20 0 DEADHO CN(C)CCOc1cnccc1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000449331457 535920578 /nfs/dbraw/zinc/92/05/78/535920578.db2.gz YVIXOUMZTDLHAR-INIZCTEOSA-N 1 3 319.449 2.213 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000353427441 535925722 /nfs/dbraw/zinc/92/57/22/535925722.db2.gz LCQVKFYOISQAHY-STQMWFEESA-N 1 3 315.339 2.491 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000449728943 535975165 /nfs/dbraw/zinc/97/51/65/535975165.db2.gz XZKASZLCSGXNRH-CHWSQXEVSA-N 1 3 315.417 2.352 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000261625708 536024419 /nfs/dbraw/zinc/02/44/19/536024419.db2.gz DLEXYSAPRDXBQV-RBUKOAKNSA-N 1 3 323.440 2.315 20 0 DEADHO CN(C(=O)[C@H]1CCC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000246279381 536063109 /nfs/dbraw/zinc/06/31/09/536063109.db2.gz MLKXUWLZROZYBP-ZWKOTPCHSA-N 1 3 315.461 2.109 20 0 DEADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1cccc(CN(C)C)c1 ZINC000449323017 536352806 /nfs/dbraw/zinc/35/28/06/536352806.db2.gz REEIIUPOIBBRHM-INIZCTEOSA-N 1 3 305.466 2.389 20 0 DEADHO CN[C@@H](CC(C)(C)C)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000449138165 536353986 /nfs/dbraw/zinc/35/39/86/536353986.db2.gz HHZVJVMILRCDCW-HOTGVXAUSA-N 1 3 309.498 2.391 20 0 DEADHO CN[C@@H](CC(C)(C)C)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000449138165 536353989 /nfs/dbraw/zinc/35/39/89/536353989.db2.gz HHZVJVMILRCDCW-HOTGVXAUSA-N 1 3 309.498 2.391 20 0 DEADHO CO[C@@H]1CCN(C/C=C\C[N@@H+]2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000451580082 536678165 /nfs/dbraw/zinc/67/81/65/536678165.db2.gz ZKWOVIOIXZFXLL-LAHXUIENSA-N 1 3 310.482 2.256 20 0 DEADHO CO[C@@H]1CCN(C/C=C\C[N@H+]2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000451580082 536678166 /nfs/dbraw/zinc/67/81/66/536678166.db2.gz ZKWOVIOIXZFXLL-LAHXUIENSA-N 1 3 310.482 2.256 20 0 DEADHO CO[C@@H]1CC[N@@H+](C/C=C\CN2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000451580082 536678169 /nfs/dbraw/zinc/67/81/69/536678169.db2.gz ZKWOVIOIXZFXLL-LAHXUIENSA-N 1 3 310.482 2.256 20 0 DEADHO CO[C@@H]1CC[N@H+](C/C=C\CN2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000451580082 536678170 /nfs/dbraw/zinc/67/81/70/536678170.db2.gz ZKWOVIOIXZFXLL-LAHXUIENSA-N 1 3 310.482 2.256 20 0 DEADHO COc1cc(OC)c(OC)cc1CN1CCC[C@@H](CC[NH3+])C1 ZINC000262027988 536865226 /nfs/dbraw/zinc/86/52/26/536865226.db2.gz YMUMYWHWFJURKN-ZDUSSCGKSA-N 1 3 308.422 2.273 20 0 DEADHO COc1nccc(CNCC2CC[NH+](CCC(C)C)CC2)n1 ZINC000449174821 537142824 /nfs/dbraw/zinc/14/28/24/537142824.db2.gz ISEGGLUBPJAHAV-UHFFFAOYSA-N 1 3 306.454 2.333 20 0 DEADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]CCC2CCCC2)C1 ZINC001426234456 1174663148 /nfs/dbraw/zinc/66/31/48/1174663148.db2.gz GDONFJPEJMAKNV-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCc1cccs1)N(C)C ZINC001379235173 1152594864 /nfs/dbraw/zinc/59/48/64/1152594864.db2.gz YVCLUJMWGVPZCT-HIFRSBDPSA-N 1 3 311.495 2.067 20 0 DEADHO CCN1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1C ZINC001379653394 1152665821 /nfs/dbraw/zinc/66/58/21/1152665821.db2.gz SVAUBCQUTDLWJR-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](F)C[N@H+](C)C1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC001381982209 1153303458 /nfs/dbraw/zinc/30/34/58/1153303458.db2.gz WMKCPASVJKPMNY-GOEBONIOSA-N 1 3 313.461 2.142 20 0 DEADHO CC[C@H](F)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC001381982209 1153303462 /nfs/dbraw/zinc/30/34/62/1153303462.db2.gz WMKCPASVJKPMNY-GOEBONIOSA-N 1 3 313.461 2.142 20 0 DEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001363375557 1153369579 /nfs/dbraw/zinc/36/95/79/1153369579.db2.gz ZQCRAHQPSLLHSB-ULQDDVLXSA-N 1 3 309.498 2.486 20 0 DEADHO CC1(C)C[C@H]([NH3+])C[C@@H](N[C@H]2CCN(C(=O)C3CCCC3)C2)C1 ZINC000925559802 625365450 /nfs/dbraw/zinc/36/54/50/625365450.db2.gz KADMWGCOMMEXLQ-OWCLPIDISA-N 1 3 307.482 2.273 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CC)C1 ZINC001023696558 625392968 /nfs/dbraw/zinc/39/29/68/625392968.db2.gz PNUQZFBBFRUHJD-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CC)C1 ZINC001023696558 625393002 /nfs/dbraw/zinc/39/30/02/625393002.db2.gz PNUQZFBBFRUHJD-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)(C(=O)N1CC[C@H]([NH2+]CCC2CC2)C1)N1CCCCC1 ZINC001018849004 625402831 /nfs/dbraw/zinc/40/28/31/625402831.db2.gz MIWVGAZWLAQHME-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO C(C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)COC1CCOCC1 ZINC000925579574 625404969 /nfs/dbraw/zinc/40/49/69/625404969.db2.gz FQPRKHCOAMQNFN-QZTJIDSGSA-N 1 3 310.482 2.330 20 0 DEADHO CC[C@H](CO)[NH+]1CCN(c2ccnc3ccc(OC)cc32)CC1 ZINC000892714123 625454785 /nfs/dbraw/zinc/45/47/85/625454785.db2.gz VKVONBSJDRMMBP-CQSZACIVSA-N 1 3 315.417 2.136 20 0 DEADHO CC1(C)[C@@H](NC[C@@H](O)CCc2ccccc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925648789 625503565 /nfs/dbraw/zinc/50/35/65/625503565.db2.gz XWIWQYUCFQXJSL-MHORFTMASA-N 1 3 302.462 2.346 20 0 DEADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000925648789 625503572 /nfs/dbraw/zinc/50/35/72/625503572.db2.gz XWIWQYUCFQXJSL-MHORFTMASA-N 1 3 302.462 2.346 20 0 DEADHO CC[C@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)c1ccccc1 ZINC000969588739 622831378 /nfs/dbraw/zinc/83/13/78/622831378.db2.gz RTRPVIGIXQBJDX-FGTMMUONSA-N 1 3 315.461 2.422 20 0 DEADHO CC(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001020587894 622926689 /nfs/dbraw/zinc/92/66/89/622926689.db2.gz YXAVFJKSTVFIPR-ZQIUZPCESA-N 1 3 313.461 2.092 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC000969950870 623016462 /nfs/dbraw/zinc/01/64/62/623016462.db2.gz KHWIPUXHZGFAOT-NVXWUHKLSA-N 1 3 305.466 2.162 20 0 DEADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)cs1 ZINC000969956499 623022832 /nfs/dbraw/zinc/02/28/32/623022832.db2.gz XGPIZBXDFSDCBP-CZUORRHYSA-N 1 3 321.490 2.089 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C1)N(C)C ZINC000969985857 623039373 /nfs/dbraw/zinc/03/93/73/623039373.db2.gz NAJTXMVHESASSO-SJORKVTESA-N 1 3 307.482 2.408 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000970103380 623122361 /nfs/dbraw/zinc/12/23/61/623122361.db2.gz NJMSHYNQWCZWLZ-OAHLLOKOSA-N 1 3 304.438 2.113 20 0 DEADHO CC[C@H]([NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC000970105839 623129509 /nfs/dbraw/zinc/12/95/09/623129509.db2.gz USUWHPODSXFYLG-WBVHZDCISA-N 1 3 312.417 2.294 20 0 DEADHO C[NH+](C)CCCOC1CCN(c2cc(N)ncc2Cl)CC1 ZINC000892816371 625629420 /nfs/dbraw/zinc/62/94/20/625629420.db2.gz SXYMEBJNDQKWQH-UHFFFAOYSA-N 1 3 312.845 2.254 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](C[NH2+]CC3CCCC3)C2)C1 ZINC001024156762 625641061 /nfs/dbraw/zinc/64/10/61/625641061.db2.gz SVTUDRUAOSZVFY-AEFFLSMTSA-N 1 3 321.509 2.347 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CC3CC(C)(C)C3)C2)CC1 ZINC000970337367 623405508 /nfs/dbraw/zinc/40/55/08/623405508.db2.gz OPONORWSZPPAES-QGZVFWFLSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCC2)C1 ZINC000970529365 623523688 /nfs/dbraw/zinc/52/36/88/623523688.db2.gz PWZOJRIUDUKDIP-CRAIPNDOSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CC2)C1 ZINC001024185661 625661688 /nfs/dbraw/zinc/66/16/88/625661688.db2.gz DYLIBKNMLDDEBV-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000970719410 623641751 /nfs/dbraw/zinc/64/17/51/623641751.db2.gz FHZKYYQIQCHQPH-MRXNPFEDSA-N 1 3 321.852 2.126 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000261532949 623838873 /nfs/dbraw/zinc/83/88/73/623838873.db2.gz ARJZTYNFKRWVSW-QAPCUYQASA-N 1 3 303.450 2.013 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021667592 623922757 /nfs/dbraw/zinc/92/27/57/623922757.db2.gz GBOMWCKJKGUSIY-DLBZAZTESA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021667592 623922764 /nfs/dbraw/zinc/92/27/64/623922764.db2.gz GBOMWCKJKGUSIY-DLBZAZTESA-N 1 3 321.509 2.441 20 0 DEADHO Cc1cccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC001026726140 625686873 /nfs/dbraw/zinc/68/68/73/625686873.db2.gz RCTUTTCODRVZNK-QZTJIDSGSA-N 1 3 315.461 2.027 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]2C[N@H+](CCC3CC3)CC[C@@H]21 ZINC001021677165 623943416 /nfs/dbraw/zinc/94/34/16/623943416.db2.gz GLQMFBHIOQTAQB-RDJZCZTQSA-N 1 3 316.449 2.065 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]2C[N@@H+](CCC3CC3)CC[C@@H]21 ZINC001021677165 623943419 /nfs/dbraw/zinc/94/34/19/623943419.db2.gz GLQMFBHIOQTAQB-RDJZCZTQSA-N 1 3 316.449 2.065 20 0 DEADHO CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000236735763 623970064 /nfs/dbraw/zinc/97/00/64/623970064.db2.gz YJWAYEUBFNJMLG-DJIMGWMZSA-N 1 3 303.450 2.139 20 0 DEADHO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000926119496 623991528 /nfs/dbraw/zinc/99/15/28/623991528.db2.gz KQYDLEBNWKGSOV-UGUYLWEFSA-N 1 3 307.482 2.286 20 0 DEADHO CC(C)([NH3+])CCNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000891557892 624476666 /nfs/dbraw/zinc/47/66/66/624476666.db2.gz VZAUBXMHYPFYQQ-MRXNPFEDSA-N 1 3 318.465 2.078 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CC2CC(C)(C)C2)C1)C1CC1 ZINC000971686606 624506563 /nfs/dbraw/zinc/50/65/63/624506563.db2.gz UHCPOSLHJBHAAX-IRXDYDNUSA-N 1 3 321.509 2.296 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C1)C1CC1 ZINC000971686606 624506568 /nfs/dbraw/zinc/50/65/68/624506568.db2.gz UHCPOSLHJBHAAX-IRXDYDNUSA-N 1 3 321.509 2.296 20 0 DEADHO C[C@@H](NC(=O)N1CCCC[C@@H]1C[NH3+])[C@@H](c1ccccc1)N(C)C ZINC000891895017 624649556 /nfs/dbraw/zinc/64/95/56/624649556.db2.gz ZTNSKYZRGFZCCM-OIISXLGYSA-N 1 3 318.465 2.201 20 0 DEADHO OCc1c[nH+]ccc1N1CCN(CCc2cccs2)CC1 ZINC000891974669 624711973 /nfs/dbraw/zinc/71/19/73/624711973.db2.gz OGEJBDCPYSEVAJ-UHFFFAOYSA-N 1 3 303.431 2.000 20 0 DEADHO CN(Cc1cn(C)nc1C(F)(F)F)CC1CC[NH+](C)CC1 ZINC000892237852 624861255 /nfs/dbraw/zinc/86/12/55/624861255.db2.gz RWWILZDGGAKLPI-UHFFFAOYSA-N 1 3 304.360 2.213 20 0 DEADHO CC(C)N1CCN(CCC[NH2+][C@H]2CCOC23CCCC3)CC1 ZINC000934384374 624869716 /nfs/dbraw/zinc/86/97/16/624869716.db2.gz CXCQWMRQDZXSIO-KRWDZBQOSA-N 1 3 309.498 2.094 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CC3CC(C)(C)C3)C2)C1 ZINC000972332328 624931249 /nfs/dbraw/zinc/93/12/49/624931249.db2.gz BRTAWMJSPWZJTO-NVXWUHKLSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CC3CC(C)(C)C3)C2)C1 ZINC000972332328 624931250 /nfs/dbraw/zinc/93/12/50/624931250.db2.gz BRTAWMJSPWZJTO-NVXWUHKLSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC2CC2)C1 ZINC000972484271 625119069 /nfs/dbraw/zinc/11/90/69/625119069.db2.gz AYXVXLAHAYWGQP-SJORKVTESA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC2CC2)C1 ZINC000972484271 625119075 /nfs/dbraw/zinc/11/90/75/625119075.db2.gz AYXVXLAHAYWGQP-SJORKVTESA-N 1 3 307.482 2.192 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1)C1CC1 ZINC001024986671 625128293 /nfs/dbraw/zinc/12/82/93/625128293.db2.gz ZOQIZAZYFDIOKY-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cc(O)cc(Cl)c2)CC1 ZINC000892573713 625160893 /nfs/dbraw/zinc/16/08/93/625160893.db2.gz DLNQRHUPWNLXSW-ZDUSSCGKSA-N 1 3 311.857 2.161 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001023365064 625238677 /nfs/dbraw/zinc/23/86/77/625238677.db2.gz WBKHPLZITALNHJ-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001023365064 625238684 /nfs/dbraw/zinc/23/86/84/625238684.db2.gz WBKHPLZITALNHJ-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N1CCC([NH3+])(CC)CC1 ZINC000892931440 625724037 /nfs/dbraw/zinc/72/40/37/625724037.db2.gz PWOVYWBDJFQJGH-UHFFFAOYSA-N 1 3 310.486 2.118 20 0 DEADHO CC(C)=CCN1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001024438748 625776695 /nfs/dbraw/zinc/77/66/95/625776695.db2.gz VYLYACNYBBDBGP-ZWKOTPCHSA-N 1 3 319.493 2.265 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CC2CC(C)(C)C2)C1)C1CC1 ZINC000999367060 634577396 /nfs/dbraw/zinc/57/73/96/634577396.db2.gz DOAVTQYFFMRMEL-DLBZAZTESA-N 1 3 321.509 2.343 20 0 DEADHO C[C@H]1CCCN1CC(=O)N(C)C1CC([NH2+]Cc2ccccc2)C1 ZINC000999404289 634585001 /nfs/dbraw/zinc/58/50/01/634585001.db2.gz BTHZOQVOLLBRRU-ZLPCBKJTSA-N 1 3 315.461 2.250 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CC2=CCCCC2)C1)N(C)C ZINC000999488328 634619041 /nfs/dbraw/zinc/61/90/41/634619041.db2.gz DSVNETSCOGRBFM-IAGOWNOFSA-N 1 3 307.482 2.408 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCC2CCCC2)C1)N(C)C ZINC000999491485 634619392 /nfs/dbraw/zinc/61/93/92/634619392.db2.gz VIPWJIWBOKPXKQ-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCC2CCCC2)C1)N(C)C ZINC001000228828 634804044 /nfs/dbraw/zinc/80/40/44/634804044.db2.gz VIPWJIWBOKPXKQ-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C)c2)C1)N(C)C ZINC001000228379 634803158 /nfs/dbraw/zinc/80/31/58/634803158.db2.gz SGVQOSFQPAORTK-MSOLQXFVSA-N 1 3 317.477 2.416 20 0 DEADHO CC(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)CC1(C)C ZINC000995797645 633119283 /nfs/dbraw/zinc/11/92/83/633119283.db2.gz MPEHJBAOBNZXBF-JKSUJKDBSA-N 1 3 309.498 2.342 20 0 DEADHO CC1CC(C[NH2+][C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC2(C)C)C1 ZINC000995883623 633136487 /nfs/dbraw/zinc/13/64/87/633136487.db2.gz DCBMEXYIELKVEJ-UYSNPLJNSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)=CCN1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974577843 633156493 /nfs/dbraw/zinc/15/64/93/633156493.db2.gz OBGBXIKSBPKDNF-SJORKVTESA-N 1 3 319.493 2.121 20 0 DEADHO CC(C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCC2)CC1(C)C ZINC000996128800 633192027 /nfs/dbraw/zinc/19/20/27/633192027.db2.gz SMGZRLHVBXXOGS-OAHLLOKOSA-N 1 3 309.498 2.343 20 0 DEADHO CC[NH2+][C@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1(C)C ZINC000996300023 633232155 /nfs/dbraw/zinc/23/21/55/633232155.db2.gz IHXYMMDHPMNHQM-SUMWQHHRSA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]CC2CCCC2)C1)N(C)C ZINC001026901131 633249783 /nfs/dbraw/zinc/24/97/83/633249783.db2.gz JCMJYBXXEFQYDO-SJORKVTESA-N 1 3 309.498 2.201 20 0 DEADHO CC1(C)C[N@H+](CCC2CC2)C[C@@H]1NC(=O)C12CCCN1CCC2 ZINC000974765198 633291509 /nfs/dbraw/zinc/29/15/09/633291509.db2.gz CLUPLKXYSPIGDZ-INIZCTEOSA-N 1 3 319.493 2.242 20 0 DEADHO CC1(C)C[N@@H+](CCC2CC2)C[C@@H]1NC(=O)C12CCCN1CCC2 ZINC000974765198 633291514 /nfs/dbraw/zinc/29/15/14/633291514.db2.gz CLUPLKXYSPIGDZ-INIZCTEOSA-N 1 3 319.493 2.242 20 0 DEADHO CC(C)C[N@@H+]1C[C@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC000974777974 633300146 /nfs/dbraw/zinc/30/01/46/633300146.db2.gz VBKCKCKCXQFMGI-HNNXBMFYSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)C[N@H+]1C[C@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC000974777974 633300149 /nfs/dbraw/zinc/30/01/49/633300149.db2.gz VBKCKCKCXQFMGI-HNNXBMFYSA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]([NH2+]CCF)C(C)(C)C2)c1 ZINC000996660224 633338985 /nfs/dbraw/zinc/33/89/85/633338985.db2.gz IGBBPXVKAGFKHB-MRXNPFEDSA-N 1 3 321.440 2.158 20 0 DEADHO CC[C@H](C(=O)N1CCC([NH2+]CCC2CCCC2)CC1)N(C)C ZINC000996713991 633366737 /nfs/dbraw/zinc/36/67/37/633366737.db2.gz ZNNNGYNFQSTSPH-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001027235583 633506708 /nfs/dbraw/zinc/50/67/08/633506708.db2.gz SMPDXVOXIMHXEN-MSOLQXFVSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC([NH2+]CC2CC(C)C2)CC1)N(C)C ZINC000996964372 633546833 /nfs/dbraw/zinc/54/68/33/633546833.db2.gz KFVNCCMWJRHROW-VMBOVVBDSA-N 1 3 309.498 2.199 20 0 DEADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2cccc(F)c2)CC1)N(C)C ZINC000997010411 633561599 /nfs/dbraw/zinc/56/15/99/633561599.db2.gz VBUWRKDPMCBNGM-KRWDZBQOSA-N 1 3 321.440 2.247 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]CC2CC(C)C2)CC1 ZINC000997366646 633716786 /nfs/dbraw/zinc/71/67/86/633716786.db2.gz IFBWKUKDCVEEAT-LEOMRAHMSA-N 1 3 321.509 2.488 20 0 DEADHO CN(CC(=O)N1CCC[C@H]([N@H+](C)CCC2CC2)C1)C1CCC1 ZINC001027441392 633791784 /nfs/dbraw/zinc/79/17/84/633791784.db2.gz FKMDKVWFIRDDGJ-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO CN(CC(=O)N1CCC[C@H]([N@@H+](C)CCC2CC2)C1)C1CCC1 ZINC001027441392 633791786 /nfs/dbraw/zinc/79/17/86/633791786.db2.gz FKMDKVWFIRDDGJ-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CCC2CC2)C1)N(C)C ZINC001027451526 633807563 /nfs/dbraw/zinc/80/75/63/633807563.db2.gz CDVRUALJMZFGDS-IRXDYDNUSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CCC2CC2)C1)N(C)C ZINC001027451526 633807568 /nfs/dbraw/zinc/80/75/68/633807568.db2.gz CDVRUALJMZFGDS-IRXDYDNUSA-N 1 3 309.498 2.296 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC)CC1(C)C ZINC000977455353 633994472 /nfs/dbraw/zinc/99/44/72/633994472.db2.gz YPAKHYYCSAIQLO-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC)CC1(C)C ZINC000977455353 633994477 /nfs/dbraw/zinc/99/44/77/633994477.db2.gz YPAKHYYCSAIQLO-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1cccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC000980405903 634988814 /nfs/dbraw/zinc/98/88/14/634988814.db2.gz MLEDZVHEFAVUGO-GOSISDBHSA-N 1 3 315.461 2.124 20 0 DEADHO Cc1cccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC000980405903 634988817 /nfs/dbraw/zinc/98/88/17/634988817.db2.gz MLEDZVHEFAVUGO-GOSISDBHSA-N 1 3 315.461 2.124 20 0 DEADHO C[C@H]1C[C@@H](C[NH2+]CC2CCC2)CN1C(=O)CN1CCC(C)CC1 ZINC000980739409 635117539 /nfs/dbraw/zinc/11/75/39/635117539.db2.gz QKIIIDDVNQKXTQ-WMZOPIPTSA-N 1 3 321.509 2.345 20 0 DEADHO CC1CCC(C[NH2+][C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001000314553 635143230 /nfs/dbraw/zinc/14/32/30/635143230.db2.gz YMFAOMXUQNRQES-GPANFISMSA-N 1 3 318.465 2.359 20 0 DEADHO C[C@H]1C[C@H](C[NH2+]CC2CC(C)(C)C2)CN1C(=O)CN1CCCC1 ZINC000980798662 635156288 /nfs/dbraw/zinc/15/62/88/635156288.db2.gz CSNRQVVHHOMFRK-JKSUJKDBSA-N 1 3 321.509 2.345 20 0 DEADHO Cc1cnc(Cl)c(CNCCN2CCC([NH+](C)C)CC2)c1 ZINC000921817324 635388189 /nfs/dbraw/zinc/38/81/89/635388189.db2.gz SGKSQOJDUHQSNL-UHFFFAOYSA-N 1 3 310.873 2.159 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[N@H+](CCC2CC2)CC1 ZINC000981282661 635421186 /nfs/dbraw/zinc/42/11/86/635421186.db2.gz ICYJPCIFRYICAM-QGZVFWFLSA-N 1 3 307.482 2.195 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[N@@H+](CCC2CC2)CC1 ZINC000981282661 635421188 /nfs/dbraw/zinc/42/11/88/635421188.db2.gz ICYJPCIFRYICAM-QGZVFWFLSA-N 1 3 307.482 2.195 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC1=CC[N@H+](CC2CC2)CC1 ZINC001001473185 635504606 /nfs/dbraw/zinc/50/46/06/635504606.db2.gz YAUQWRCHPYDZOQ-QGZVFWFLSA-N 1 3 305.466 2.019 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC1=CC[N@@H+](CC2CC2)CC1 ZINC001001473185 635504611 /nfs/dbraw/zinc/50/46/11/635504611.db2.gz YAUQWRCHPYDZOQ-QGZVFWFLSA-N 1 3 305.466 2.019 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)NCC1CC[NH+](CC)CC1 ZINC001002035917 635609405 /nfs/dbraw/zinc/60/94/05/635609405.db2.gz AJBZDWKGLYOKPM-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC2(C1)CCC[N@H+](CCC1CC1)C2)N(C)C ZINC000981825433 635671685 /nfs/dbraw/zinc/67/16/85/635671685.db2.gz FXZFMDBGLCHVOV-KRWDZBQOSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](CCC1CC1)C2)N(C)C ZINC000981825433 635671688 /nfs/dbraw/zinc/67/16/88/635671688.db2.gz FXZFMDBGLCHVOV-KRWDZBQOSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CCC[N@@H+](C[C@@H](C)CC)C2)N(C)C ZINC000981842277 635687321 /nfs/dbraw/zinc/68/73/21/635687321.db2.gz XBRNFHMCGVOTTJ-JKSUJKDBSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CCC[N@H+](C[C@@H](C)CC)C2)N(C)C ZINC000981842277 635687325 /nfs/dbraw/zinc/68/73/25/635687325.db2.gz XBRNFHMCGVOTTJ-JKSUJKDBSA-N 1 3 309.498 2.297 20 0 DEADHO CCS(=O)(=O)c1ccccc1CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000925835153 635848345 /nfs/dbraw/zinc/84/83/45/635848345.db2.gz QVBCLUAWOFKIGC-GDBMZVCRSA-N 1 3 324.490 2.000 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC1CC[NH+](CC[C@H](C)F)CC1 ZINC001002956101 635860146 /nfs/dbraw/zinc/86/01/46/635860146.db2.gz QYSIGGMNSAHTGQ-HOCLYGCPSA-N 1 3 313.461 2.190 20 0 DEADHO CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC000982163415 635890772 /nfs/dbraw/zinc/89/07/72/635890772.db2.gz ABONKXVFURIVNQ-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC000982163415 635890775 /nfs/dbraw/zinc/89/07/75/635890775.db2.gz ABONKXVFURIVNQ-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC[C@H](N(C)C)C(F)(F)F ZINC000925838616 635895986 /nfs/dbraw/zinc/89/59/86/635895986.db2.gz ZTCZVFUWPSDBGF-HZMBPMFUSA-N 1 3 318.387 2.382 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CC)C[C@]2(C)C1 ZINC000982292254 635950909 /nfs/dbraw/zinc/95/09/09/635950909.db2.gz CPNMZFISIXFWHJ-RYQLBKOJSA-N 1 3 307.482 2.051 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](CC)C[C@]2(C)C1 ZINC000982292254 635950911 /nfs/dbraw/zinc/95/09/11/635950911.db2.gz CPNMZFISIXFWHJ-RYQLBKOJSA-N 1 3 307.482 2.051 20 0 DEADHO CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)C3(N(C)C)CCC3)C[C@@]2(C)C1 ZINC000982296155 635953703 /nfs/dbraw/zinc/95/37/03/635953703.db2.gz LEIIHRNEUZTCBS-HDICACEKSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@H+]1C[C@@]2(C)CN(C(=O)C3(N(C)C)CCC3)C[C@@]2(C)C1 ZINC000982296155 635953706 /nfs/dbraw/zinc/95/37/06/635953706.db2.gz LEIIHRNEUZTCBS-HDICACEKSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)CC[NH+]1CCC(NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001003424557 635965864 /nfs/dbraw/zinc/96/58/64/635965864.db2.gz QZFXCKPTTIYMFN-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C)C[NH+]1CCC(NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001003423576 635965914 /nfs/dbraw/zinc/96/59/14/635965914.db2.gz GUKBDWVFQMBVHF-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]1CCN(CC(=O)NC2CC[NH+](CCCC3CCC3)CC2)C1 ZINC001003629515 636007805 /nfs/dbraw/zinc/00/78/05/636007805.db2.gz BPNHAEMWLVGBGO-INIZCTEOSA-N 1 3 321.509 2.489 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001004052344 636131556 /nfs/dbraw/zinc/13/15/56/636131556.db2.gz GXTNSJJYFHHBOQ-UHFFFAOYSA-N 1 3 318.465 2.277 20 0 DEADHO CC[C@@H](C)N[C@@H](CNC(=O)NCC1([NH+](C)C)CC1)c1ccco1 ZINC000922423801 636166641 /nfs/dbraw/zinc/16/66/41/636166641.db2.gz IONAQMHLLLTQJX-KGLIPLIRSA-N 1 3 322.453 2.102 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001004460857 636461169 /nfs/dbraw/zinc/46/11/69/636461169.db2.gz XJNWUBITJKWZIC-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001004460857 636461174 /nfs/dbraw/zinc/46/11/74/636461174.db2.gz XJNWUBITJKWZIC-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001004548192 636485035 /nfs/dbraw/zinc/48/50/35/636485035.db2.gz QLNWCTMWQYIBLM-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001004548192 636485041 /nfs/dbraw/zinc/48/50/41/636485041.db2.gz QLNWCTMWQYIBLM-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO COc1ccc2nccc(N3C[C@H](C)[N@H+](CCO)C[C@H]3C)c2c1 ZINC000894232498 636512231 /nfs/dbraw/zinc/51/22/31/636512231.db2.gz DITHCZAOHCZOJH-UONOGXRCSA-N 1 3 315.417 2.135 20 0 DEADHO COc1ccc2nccc(N3C[C@H](C)[N@@H+](CCO)C[C@H]3C)c2c1 ZINC000894232498 636512234 /nfs/dbraw/zinc/51/22/34/636512234.db2.gz DITHCZAOHCZOJH-UONOGXRCSA-N 1 3 315.417 2.135 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CC3)C[C@H]2CC1)N(C)C ZINC000946764882 636622362 /nfs/dbraw/zinc/62/23/62/636622362.db2.gz CPYNXCUTCYKGLX-FGTMMUONSA-N 1 3 321.509 2.153 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]2C[N@H+](CC3CC3)C[C@H]2CC1)N(C)C ZINC000946764882 636622365 /nfs/dbraw/zinc/62/23/65/636622365.db2.gz CPYNXCUTCYKGLX-FGTMMUONSA-N 1 3 321.509 2.153 20 0 DEADHO CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCCN3C(C)C)CC[C@@H]2C1 ZINC000946808628 636664257 /nfs/dbraw/zinc/66/42/57/636664257.db2.gz PYIZQWUVSSLJFV-FGTMMUONSA-N 1 3 321.509 2.440 20 0 DEADHO CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCCN3C(C)C)CC[C@@H]2C1 ZINC000946808628 636664260 /nfs/dbraw/zinc/66/42/60/636664260.db2.gz PYIZQWUVSSLJFV-FGTMMUONSA-N 1 3 321.509 2.440 20 0 DEADHO CCc1[nH]c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cc1C(=O)OC ZINC000894307137 636776767 /nfs/dbraw/zinc/77/67/67/636776767.db2.gz CTMBLZLPQLYFQV-LQDVMPOASA-N 1 3 319.449 2.469 20 0 DEADHO C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cc([O-])cc(F)c1 ZINC000925024142 636894315 /nfs/dbraw/zinc/89/43/15/636894315.db2.gz RHDOKEJDPQTFRT-BBRMVZONSA-N 1 3 310.413 2.419 20 0 DEADHO C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc([O-])cc(F)c1 ZINC000925024142 636894317 /nfs/dbraw/zinc/89/43/17/636894317.db2.gz RHDOKEJDPQTFRT-BBRMVZONSA-N 1 3 310.413 2.419 20 0 DEADHO CN(CC(C)(C)C[NH+](C)C)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000894458317 637048821 /nfs/dbraw/zinc/04/88/21/637048821.db2.gz PJCGBWIZMLBRTD-INIZCTEOSA-N 1 3 324.513 2.233 20 0 DEADHO CC1CC(C[NH+]2CCC(N(C)C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001005994679 637052236 /nfs/dbraw/zinc/05/22/36/637052236.db2.gz HCZSITLCJZBXBF-CGZBRXJRSA-N 1 3 321.509 2.440 20 0 DEADHO c1ccc([C@@H]2CN(C[C@H]3CC4(C[NH2+]C4)CO3)CCS2)cc1 ZINC000923316497 637107182 /nfs/dbraw/zinc/10/71/82/637107182.db2.gz VFAGLLQSCUAIRU-CVEARBPZSA-N 1 3 304.459 2.155 20 0 DEADHO COc1cc(CN(C)C[C@H]2CC3(C[NH2+]C3)CO2)ccc1SC ZINC000923310645 637110353 /nfs/dbraw/zinc/11/03/53/637110353.db2.gz LZKOWMVHYJAMSF-CQSZACIVSA-N 1 3 322.474 2.227 20 0 DEADHO CCCN(C[C@H](O)COc1ccccc1C)C1CC[NH2+]CC1 ZINC000923329119 637112189 /nfs/dbraw/zinc/11/21/89/637112189.db2.gz ZQXLOBZXJHRGKH-KRWDZBQOSA-N 1 3 306.450 2.199 20 0 DEADHO CCC[N@H+](C[C@H](O)COc1ccccc1C)C1CCNCC1 ZINC000923329119 637112191 /nfs/dbraw/zinc/11/21/91/637112191.db2.gz ZQXLOBZXJHRGKH-KRWDZBQOSA-N 1 3 306.450 2.199 20 0 DEADHO CCC[N@@H+](C[C@H](O)COc1ccccc1C)C1CCNCC1 ZINC000923329119 637112195 /nfs/dbraw/zinc/11/21/95/637112195.db2.gz ZQXLOBZXJHRGKH-KRWDZBQOSA-N 1 3 306.450 2.199 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@H](O)COc2cccc3ccccc32)C1 ZINC000923330492 637113526 /nfs/dbraw/zinc/11/35/26/637113526.db2.gz GILJUMPVANYISA-UAGQMJEPSA-N 1 3 314.429 2.249 20 0 DEADHO c1nc(CN2CCN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cs1 ZINC000923322928 637115847 /nfs/dbraw/zinc/11/58/47/637115847.db2.gz RSWFEKQKYZARTP-MQVJKMGUSA-N 1 3 320.506 2.181 20 0 DEADHO CCN(C[C@H](O)COc1cccc(C)c1)[C@H]1CCC[NH2+]CC1 ZINC000923334974 637121627 /nfs/dbraw/zinc/12/16/27/637121627.db2.gz HPYJQRHEHWXUDE-IRXDYDNUSA-N 1 3 306.450 2.199 20 0 DEADHO O[C@@H](CN1CCC([C@H]2CC[NH2+]C2)CC1)c1ccc(F)cc1F ZINC000923357450 637132012 /nfs/dbraw/zinc/13/20/12/637132012.db2.gz NTBMZCGQKLJHOT-GUYCJALGSA-N 1 3 310.388 2.320 20 0 DEADHO Cc1nc([C@H](C)NC(CN)C[NH3+])oc1-c1ccc(Cl)cc1 ZINC000923358396 637132784 /nfs/dbraw/zinc/13/27/84/637132784.db2.gz AFGDDMDUDXRDRT-JTQLQIEISA-N 1 3 308.813 2.240 20 0 DEADHO Oc1cccc(N2CCN(CCCC3CC[NH2+]CC3)CC2)c1 ZINC000923362336 637144135 /nfs/dbraw/zinc/14/41/35/637144135.db2.gz WRWSWOOXOJDNGC-UHFFFAOYSA-N 1 3 303.450 2.294 20 0 DEADHO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923374055 637145337 /nfs/dbraw/zinc/14/53/37/637145337.db2.gz UIFIBUHBEJOMEU-GGYYKDEXSA-N 1 3 306.450 2.181 20 0 DEADHO CC(C)(NC[C@H]1CC2(C[NH2+]C2)CO1)c1nc2ccccc2s1 ZINC000923398677 637158406 /nfs/dbraw/zinc/15/84/06/637158406.db2.gz NDXBCYXFPMNOSZ-GFCCVEGCSA-N 1 3 317.458 2.500 20 0 DEADHO CC(C)(C)[C@]1(C[NH3+])CCN(C[C@H](O)COc2ccccc2F)C1 ZINC000923416251 637161971 /nfs/dbraw/zinc/16/19/71/637161971.db2.gz UYEVXOJQTIJMPE-KSSFIOAISA-N 1 3 324.440 2.262 20 0 DEADHO C[C@H](NC(=O)CN1CC[C@H](C[NH3+])[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000923503144 637214129 /nfs/dbraw/zinc/21/41/29/637214129.db2.gz HCMNPDBAVYSOQG-KCQAQPDRSA-N 1 3 323.868 2.434 20 0 DEADHO CC(C)N(C(=O)CN1CC[C@@H](C[NH3+])[C@H](C)C1)c1ccccc1 ZINC000923508574 637221602 /nfs/dbraw/zinc/22/16/02/637221602.db2.gz NPHHDABMZFBLSZ-CVEARBPZSA-N 1 3 303.450 2.345 20 0 DEADHO C[C@@H]1[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CCN1C ZINC000928439589 637238238 /nfs/dbraw/zinc/23/82/38/637238238.db2.gz IWSHQCURRKUZGE-RHSMWYFYSA-N 1 3 301.434 2.105 20 0 DEADHO CN1CCC(C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)CC1 ZINC000894908436 637324386 /nfs/dbraw/zinc/32/43/86/637324386.db2.gz BRXHHAKUEDXYGH-IBGZPJMESA-N 1 3 314.429 2.438 20 0 DEADHO CN1CCC(C[N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)CC1 ZINC000894908436 637324389 /nfs/dbraw/zinc/32/43/89/637324389.db2.gz BRXHHAKUEDXYGH-IBGZPJMESA-N 1 3 314.429 2.438 20 0 DEADHO COC(=O)COc1c(C)cc(CNC2CC[NH+](C)CC2)cc1C ZINC000237167327 637448883 /nfs/dbraw/zinc/44/88/83/637448883.db2.gz JXLPLYOJYCKHNM-UHFFFAOYSA-N 1 3 320.433 2.039 20 0 DEADHO CO[C@H](CN1CCN(c2cc[nH+]cc2)[C@@H](C)C1)C1CCOCC1 ZINC000895557967 638083888 /nfs/dbraw/zinc/08/38/88/638083888.db2.gz UICPENGXUDQMIY-MAUKXSAKSA-N 1 3 319.449 2.034 20 0 DEADHO COc1ccc([C@H](NC(C)C)C(=O)N[C@H](C)CC[NH+](C)C)cc1 ZINC000896708412 638648766 /nfs/dbraw/zinc/64/87/66/638648766.db2.gz RMZSDBOXMZWCCS-PBHICJAKSA-N 1 3 321.465 2.191 20 0 DEADHO CCOC(=O)[C@H]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000896963262 639101827 /nfs/dbraw/zinc/10/18/27/639101827.db2.gz XYZPCMJKWAPGCH-INIZCTEOSA-N 1 3 320.433 2.012 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2CC1CC1)[NH+]1CCCC1 ZINC001029597608 639333388 /nfs/dbraw/zinc/33/33/88/639333388.db2.gz BBWLBEWTEIWGNB-KSZLIROESA-N 1 3 319.493 2.192 20 0 DEADHO C[C@@H]1[C@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CN(C)C1CCC1 ZINC000986358025 639885966 /nfs/dbraw/zinc/88/59/66/639885966.db2.gz VWYBQWKQMACVLS-RHSMWYFYSA-N 1 3 321.509 2.486 20 0 DEADHO CN(CC(=O)N1CCC(C[N@H+](C)CC2CC2)CC1)C1CCC1 ZINC001029970998 639943704 /nfs/dbraw/zinc/94/37/04/639943704.db2.gz BSYJGDOZAMKKDN-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO CN(CC(=O)N1CCC(C[N@@H+](C)CC2CC2)CC1)C1CCC1 ZINC001029970998 639943707 /nfs/dbraw/zinc/94/37/07/639943707.db2.gz BSYJGDOZAMKKDN-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1[C@@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987064897 640071653 /nfs/dbraw/zinc/07/16/53/640071653.db2.gz GKUBAZWKJPNAJJ-CJNGLKHVSA-N 1 3 316.449 2.112 20 0 DEADHO C[C@H]1[C@H]([NH2+]CC2CCC2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987253193 640143206 /nfs/dbraw/zinc/14/32/06/640143206.db2.gz IVNKYBNYDCNLQZ-DOTOQJQBSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1[C@@H]([NH2+]CCC2CCCC2)CCN1C(=O)CN1CCCC1 ZINC000987532502 640214113 /nfs/dbraw/zinc/21/41/13/640214113.db2.gz QUVAHPYUPURRRH-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO Cc1cc([C@H](N)CC(=O)NCC2([NH3+])CCCCC2)cc(Cl)n1 ZINC000841845152 650577840 /nfs/dbraw/zinc/57/78/40/650577840.db2.gz LTKSKKGBGCHZKQ-CYBMUJFWSA-N 1 3 324.856 2.211 20 0 DEADHO C[C@@H]1CN(C(=O)NCCCCCCC[NH+]2CCCC2)[C@H](C)CN1 ZINC000841852069 650580356 /nfs/dbraw/zinc/58/03/56/650580356.db2.gz WUUOCZZSCSTBCN-IAGOWNOFSA-N 1 3 324.513 2.425 20 0 DEADHO COCOc1ccc(OC)cc1C[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000766473434 640886388 /nfs/dbraw/zinc/88/63/88/640886388.db2.gz IMRWEQBTUHXKHK-HIFRSBDPSA-N 1 3 308.422 2.250 20 0 DEADHO Cc1cc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)cs1 ZINC000989801087 641230238 /nfs/dbraw/zinc/23/02/38/641230238.db2.gz YBZRWYQFQUNNAM-CJNGLKHVSA-N 1 3 321.490 2.231 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CC2CCCCC2)CN1C(=O)CN1CCCC1 ZINC000989795822 641235020 /nfs/dbraw/zinc/23/50/20/641235020.db2.gz CGUDVKHUCOJDAN-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1cc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c(C)o1 ZINC000769525366 641255984 /nfs/dbraw/zinc/25/59/84/641255984.db2.gz HLZZTWCKUFWGIX-RDTXWAMCSA-N 1 3 305.466 2.354 20 0 DEADHO Cc1cc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c(C)o1 ZINC000769525366 641255991 /nfs/dbraw/zinc/25/59/91/641255991.db2.gz HLZZTWCKUFWGIX-RDTXWAMCSA-N 1 3 305.466 2.354 20 0 DEADHO C[C@H]([NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccccc1 ZINC000990243654 641408593 /nfs/dbraw/zinc/40/85/93/641408593.db2.gz HYTDRCYLIMUUMC-MAUKXSAKSA-N 1 3 315.461 2.422 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccccc2F)CC1 ZINC000990245403 641410703 /nfs/dbraw/zinc/41/07/03/641410703.db2.gz WLQWAAAMJBRBBU-KRWDZBQOSA-N 1 3 319.424 2.001 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]CC2CC3(CCC3)C2)CC1 ZINC000990275613 641429807 /nfs/dbraw/zinc/42/98/07/641429807.db2.gz BWCIMQQZKVTFON-KRWDZBQOSA-N 1 3 319.493 2.242 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC000990279695 641432452 /nfs/dbraw/zinc/43/24/52/641432452.db2.gz ZMFWXZQFUZFREX-QGZVFWFLSA-N 1 3 319.424 2.001 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000926916803 641490348 /nfs/dbraw/zinc/49/03/48/641490348.db2.gz QZMLXMIFCKVGHB-ZBBUEOHVSA-N 1 3 306.372 2.416 20 0 DEADHO COC(=O)COc1c(C)cc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1C ZINC000841057676 641499794 /nfs/dbraw/zinc/49/97/94/641499794.db2.gz LBYHTBRBEQQSKS-CVEARBPZSA-N 1 3 320.433 2.215 20 0 DEADHO CC[N@@H+]1CC[C@H](NC[C@@H]2CCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000927000866 641572500 /nfs/dbraw/zinc/57/25/00/641572500.db2.gz GDAPUFNUHJDLCB-KKUMJFAQSA-N 1 3 311.470 2.316 20 0 DEADHO CC[N@H+]1CC[C@H](NC[C@@H]2CCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000927000866 641572503 /nfs/dbraw/zinc/57/25/03/641572503.db2.gz GDAPUFNUHJDLCB-KKUMJFAQSA-N 1 3 311.470 2.316 20 0 DEADHO COc1ccc([C@@H](NC(C)C)C(=O)NCC[C@@H](C)[NH+](C)C)cc1 ZINC000898668797 641748286 /nfs/dbraw/zinc/74/82/86/641748286.db2.gz KKDMCNYOBMYINM-RHSMWYFYSA-N 1 3 321.465 2.191 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)c1 ZINC000898839924 641812180 /nfs/dbraw/zinc/81/21/80/641812180.db2.gz FIUCFRBULZCSJS-DLBZAZTESA-N 1 3 315.461 2.351 20 0 DEADHO C[C@H]1NCCn2c(-c3nc(-c4ccc(C[NH3+])cc4)no3)ccc21 ZINC000900012669 642234396 /nfs/dbraw/zinc/23/43/96/642234396.db2.gz XHHRASLCHJHMCN-LLVKDONJSA-N 1 3 309.373 2.328 20 0 DEADHO CN(C)Cc1cccc(NC(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000900471793 642380794 /nfs/dbraw/zinc/38/07/94/642380794.db2.gz FOIQKSHUZFZFSY-SJLPKXTDSA-N 1 3 316.449 2.402 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CC[C@@H]3CC[C@]32C[NH3+])c1 ZINC000900486893 642384970 /nfs/dbraw/zinc/38/49/70/642384970.db2.gz UCEOJBSYJVTXSX-YOEHRIQHSA-N 1 3 302.422 2.093 20 0 DEADHO CC1(C)C[NH2+]CC[C@@H](NCCOCC(F)(F)C(F)F)C1 ZINC000902377198 643015232 /nfs/dbraw/zinc/01/52/32/643015232.db2.gz SRTIWPXBHKYVSQ-SNVBAGLBSA-N 1 3 300.340 2.271 20 0 DEADHO CNC(=O)C[C@@H](C)N[C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902386293 643025775 /nfs/dbraw/zinc/02/57/75/643025775.db2.gz FFLLWIDKJOTDJO-IAQYHMDHSA-N 1 3 313.392 2.249 20 0 DEADHO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000903073792 643248051 /nfs/dbraw/zinc/24/80/51/643248051.db2.gz KTNLTYTXXUAQLJ-RBUKOAKNSA-N 1 3 317.477 2.091 20 0 DEADHO CC(C)[C@H](NC(=O)CN1C[C@@H](C)[C@H](CC[NH3+])C1)c1ccccc1 ZINC000903496300 643371562 /nfs/dbraw/zinc/37/15/62/643371562.db2.gz IYIHZARDWBCTDO-SUMDDJOVSA-N 1 3 317.477 2.417 20 0 DEADHO COCCN(Cc1cccs1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718158 643437919 /nfs/dbraw/zinc/43/79/19/643437919.db2.gz HOUUGWRBVKCUFZ-OAHLLOKOSA-N 1 3 324.490 2.355 20 0 DEADHO C(OC1CCN(C[C@@H]2CCCC[NH2+]C2)CC1)[C@@H]1CCCCO1 ZINC000903734912 643448573 /nfs/dbraw/zinc/44/85/73/643448573.db2.gz XKKGGBUYIQRPCA-AEFFLSMTSA-N 1 3 310.482 2.426 20 0 DEADHO Cc1cc(C)nc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000903761379 643452812 /nfs/dbraw/zinc/45/28/12/643452812.db2.gz RADYJRRVWPXGFN-QZTJIDSGSA-N 1 3 303.450 2.417 20 0 DEADHO CS[C@@H]1CCCC[N@H+](C[C@@H](CN)Cc2cnn(C)c2C)C1 ZINC000903899759 643501041 /nfs/dbraw/zinc/50/10/41/643501041.db2.gz UHNGUKFNCBTXBO-GDBMZVCRSA-N 1 3 310.511 2.063 20 0 DEADHO CS[C@@H]1CCCC[N@@H+](C[C@@H](CN)Cc2cnn(C)c2C)C1 ZINC000903899759 643501043 /nfs/dbraw/zinc/50/10/43/643501043.db2.gz UHNGUKFNCBTXBO-GDBMZVCRSA-N 1 3 310.511 2.063 20 0 DEADHO CS[C@@H]1CCCCN(C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903899759 643501045 /nfs/dbraw/zinc/50/10/45/643501045.db2.gz UHNGUKFNCBTXBO-GDBMZVCRSA-N 1 3 310.511 2.063 20 0 DEADHO Cc1c(C[C@H](CN)C[NH2+]CCc2c(C)cccc2C)cnn1C ZINC000903922736 643508932 /nfs/dbraw/zinc/50/89/32/643508932.db2.gz DCAJQEMBSLBFIA-QGZVFWFLSA-N 1 3 314.477 2.295 20 0 DEADHO CN(CCNC(=O)OC(C)(C)C)Cc1cccc2c1CC[NH2+]C2 ZINC000903930489 643513510 /nfs/dbraw/zinc/51/35/10/643513510.db2.gz YTYTVVFUQKKZGA-UHFFFAOYSA-N 1 3 319.449 2.289 20 0 DEADHO CCOc1c(CN2CC[C@@H](CC[NH3+])C2)c(C)nn1CC(C)C ZINC000904411308 643662237 /nfs/dbraw/zinc/66/22/37/643662237.db2.gz UJAVKZXQBXJSNI-OAHLLOKOSA-N 1 3 308.470 2.417 20 0 DEADHO CC1(C)CC[N@H+](CCNC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000904515244 643684457 /nfs/dbraw/zinc/68/44/57/643684457.db2.gz JSZBLDHAFPAVLW-UHFFFAOYSA-N 1 3 302.422 2.143 20 0 DEADHO CC1(C)CC[N@@H+](CCNC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000904515244 643684461 /nfs/dbraw/zinc/68/44/61/643684461.db2.gz JSZBLDHAFPAVLW-UHFFFAOYSA-N 1 3 302.422 2.143 20 0 DEADHO CC(C)[N@H+](C)Cc1ccccc1CNC[C@@H](O)C1(O)CCCC1 ZINC000905048909 643771224 /nfs/dbraw/zinc/77/12/24/643771224.db2.gz GZMTUTCEZKQOGU-GOSISDBHSA-N 1 3 320.477 2.282 20 0 DEADHO CC(C)[N@@H+](C)Cc1ccccc1CNC[C@@H](O)C1(O)CCCC1 ZINC000905048909 643771227 /nfs/dbraw/zinc/77/12/27/643771227.db2.gz GZMTUTCEZKQOGU-GOSISDBHSA-N 1 3 320.477 2.282 20 0 DEADHO C[C@H](CNC[C@H](O)CC[C@H](O)c1ccccc1)C[NH+]1CCCC1 ZINC000905054902 643773667 /nfs/dbraw/zinc/77/36/67/643773667.db2.gz LAWORCGUIRSNDQ-QRQLOZEOSA-N 1 3 320.477 2.183 20 0 DEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000905152950 643800413 /nfs/dbraw/zinc/80/04/13/643800413.db2.gz DSVBBKLDHQPQEY-AXFHLTTASA-N 1 3 318.330 2.397 20 0 DEADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C[C@@H](O)CCOCc2ccccc2)C1 ZINC000905157227 643801088 /nfs/dbraw/zinc/80/10/88/643801088.db2.gz YFPQVQMVQYNLHH-QYZOEREBSA-N 1 3 320.477 2.417 20 0 DEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)CC[C@@H](O)c2ccccc2)C1 ZINC000905157393 643801630 /nfs/dbraw/zinc/80/16/30/643801630.db2.gz ZUPHAOQQYQOQHK-ZSYWTGECSA-N 1 3 320.477 2.324 20 0 DEADHO C[C@H](CCNC[C@H](O)CC1(CO)CCCC1)[NH+]1CCCCC1 ZINC000905208059 643831951 /nfs/dbraw/zinc/83/19/51/643831951.db2.gz IZXGZPYQOHLVCQ-IAGOWNOFSA-N 1 3 312.498 2.144 20 0 DEADHO C[C@H](CC[NH2+]C[C@H](O)CC1(CO)CCCC1)N1CCCCC1 ZINC000905208059 643831952 /nfs/dbraw/zinc/83/19/52/643831952.db2.gz IZXGZPYQOHLVCQ-IAGOWNOFSA-N 1 3 312.498 2.144 20 0 DEADHO Cc1cccc([C@H](O)CNCCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000905235238 643845584 /nfs/dbraw/zinc/84/55/84/643845584.db2.gz XVGUXBMFIPESTL-SJLPKXTDSA-N 1 3 306.450 2.119 20 0 DEADHO Cc1cccc([C@H](O)CNCCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000905235238 643845586 /nfs/dbraw/zinc/84/55/86/643845586.db2.gz XVGUXBMFIPESTL-SJLPKXTDSA-N 1 3 306.450 2.119 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCc2ccccc2CN(C)C)C1 ZINC000905335812 643879599 /nfs/dbraw/zinc/87/95/99/643879599.db2.gz RUSCBOGDZJXNCE-GOSISDBHSA-N 1 3 317.477 2.486 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)NCc2ccccc2CN(C)C)C1 ZINC000905335812 643879600 /nfs/dbraw/zinc/87/96/00/643879600.db2.gz RUSCBOGDZJXNCE-GOSISDBHSA-N 1 3 317.477 2.486 20 0 DEADHO C[C@H](NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc[nH]c(=O)c1 ZINC000791135499 643932634 /nfs/dbraw/zinc/93/26/34/643932634.db2.gz JOHBABZTNHXTIC-RRQGHBQHSA-N 1 3 319.449 2.206 20 0 DEADHO CN1c2ccc(CN3CCCC[C@H]3CC[NH3+])cc2CCC1=O ZINC000843123178 650900265 /nfs/dbraw/zinc/90/02/65/650900265.db2.gz IRJQLVOECBKROS-INIZCTEOSA-N 1 3 301.434 2.299 20 0 DEADHO CC(C)(C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)N1CCCCC1 ZINC000906617660 644294566 /nfs/dbraw/zinc/29/45/66/644294566.db2.gz IGUHIKCCEKCQJC-MRXNPFEDSA-N 1 3 307.482 2.338 20 0 DEADHO CC(C)(C(=O)N1CC[C@@H](N2CCCCC2)C1)[NH+]1CCCCC1 ZINC000906617660 644294572 /nfs/dbraw/zinc/29/45/72/644294572.db2.gz IGUHIKCCEKCQJC-MRXNPFEDSA-N 1 3 307.482 2.338 20 0 DEADHO C[NH+](C)C1CC(NC(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000908013087 644721061 /nfs/dbraw/zinc/72/10/61/644721061.db2.gz RBETYDUNEGEFJU-UHFFFAOYSA-N 1 3 300.406 2.113 20 0 DEADHO C[N@@H+]1CC[C@H](NCCNC(=O)c2ccc(F)cc2)[C@@H]2CCC[C@@H]21 ZINC000796705949 644779202 /nfs/dbraw/zinc/77/92/02/644779202.db2.gz XLQZWPNEYVKGPP-ULQDDVLXSA-N 1 3 319.424 2.018 20 0 DEADHO C[N@H+]1CC[C@H](NCCNC(=O)c2ccc(F)cc2)[C@@H]2CCC[C@@H]21 ZINC000796705949 644779210 /nfs/dbraw/zinc/77/92/10/644779210.db2.gz XLQZWPNEYVKGPP-ULQDDVLXSA-N 1 3 319.424 2.018 20 0 DEADHO CC(C)[C@H](C(=O)NC1CCC2(CC1)CC[NH+](C)CC2)N(C)C ZINC000908497358 644877569 /nfs/dbraw/zinc/87/75/69/644877569.db2.gz BXDTWEXTHNQTJF-MRXNPFEDSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccnc(Cl)c1 ZINC000799726837 645214074 /nfs/dbraw/zinc/21/40/74/645214074.db2.gz RWXCEKKFCXETRO-CYBMUJFWSA-N 1 3 310.873 2.412 20 0 DEADHO C[NH2+]Cc1ccccc1NC(=O)c1ccc2c(c1)OCCNC2 ZINC000911683161 645781140 /nfs/dbraw/zinc/78/11/40/645781140.db2.gz SYLVEFYFVYVKOY-UHFFFAOYSA-N 1 3 311.385 2.140 20 0 DEADHO Cc1cc(CN(C)CCC[N@@H+](C)CCN(C)C)cc(Cl)n1 ZINC000809788314 646283466 /nfs/dbraw/zinc/28/34/66/646283466.db2.gz QHTRBQWEOKNLLR-UHFFFAOYSA-N 1 3 312.889 2.359 20 0 DEADHO Cc1cc(CN(C)CCC[N@H+](C)CCN(C)C)cc(Cl)n1 ZINC000809788314 646283472 /nfs/dbraw/zinc/28/34/72/646283472.db2.gz QHTRBQWEOKNLLR-UHFFFAOYSA-N 1 3 312.889 2.359 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810246522 646344732 /nfs/dbraw/zinc/34/47/32/646344732.db2.gz BPWJLDAXJVFNLR-PBHICJAKSA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810246522 646344738 /nfs/dbraw/zinc/34/47/38/646344738.db2.gz BPWJLDAXJVFNLR-PBHICJAKSA-N 1 3 313.461 2.045 20 0 DEADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(OC[C@H]4CCCO4)cc3)C[C@@H]12 ZINC000262187298 647297365 /nfs/dbraw/zinc/29/73/65/647297365.db2.gz XSOMNULXELTLAM-NXWXRZEISA-N 1 3 316.445 2.414 20 0 DEADHO CC(C)[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]21 ZINC000992860869 647309258 /nfs/dbraw/zinc/30/92/58/647309258.db2.gz OHZJCUWXFRRNFP-RCCFBDPRSA-N 1 3 321.509 2.343 20 0 DEADHO COC(=O)N1CCC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000817902983 647377364 /nfs/dbraw/zinc/37/73/64/647377364.db2.gz CYFXBGNRUSYFKN-YHUYYLMFSA-N 1 3 309.454 2.118 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@](C)(O)c1ccsc1 ZINC000817912888 647380275 /nfs/dbraw/zinc/38/02/75/647380275.db2.gz KFNSICVIVHCJIX-ZBEGNZNMSA-N 1 3 305.447 2.469 20 0 DEADHO COc1ccc([C@H](C)[NH2+]C[C@H](N)C2CC2)cc1Cn1cccn1 ZINC000817965973 647395903 /nfs/dbraw/zinc/39/59/03/647395903.db2.gz XYGJEXNGAWXELI-GUYCJALGSA-N 1 3 314.433 2.328 20 0 DEADHO C[C@@H](Cc1ccco1)NC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000818954272 647548938 /nfs/dbraw/zinc/54/89/38/647548938.db2.gz UZAPZLOKGXLADO-DOTOQJQBSA-N 1 3 302.418 2.293 20 0 DEADHO C[C@@H](Cc1ccco1)NC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000818954272 647548942 /nfs/dbraw/zinc/54/89/42/647548942.db2.gz UZAPZLOKGXLADO-DOTOQJQBSA-N 1 3 302.418 2.293 20 0 DEADHO C[C@H](CC[NH+](C)C)NCCC(=O)Nc1ccc(N(C)C)cc1 ZINC000819061999 647576028 /nfs/dbraw/zinc/57/60/28/647576028.db2.gz YVBSPBLJHBPMQD-CQSZACIVSA-N 1 3 306.454 2.011 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000820308882 647822052 /nfs/dbraw/zinc/82/20/52/647822052.db2.gz ORPOEHDPHOSBMO-NVXWUHKLSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000820308882 647822056 /nfs/dbraw/zinc/82/20/56/647822056.db2.gz ORPOEHDPHOSBMO-NVXWUHKLSA-N 1 3 307.482 2.192 20 0 DEADHO CC1(C)[C@H]([NH2+]C[C@H]2CCN(CC(F)(F)F)C2)[C@@H]2CCCN[C@@H]21 ZINC000925477321 648204642 /nfs/dbraw/zinc/20/46/42/648204642.db2.gz PVVNFTYGZXZMBZ-YIYPIFLZSA-N 1 3 319.415 2.237 20 0 DEADHO Cc1ccc([C@H](CNC(=S)NCCC[NH+](C)C)N(C)C)cc1 ZINC000921268998 648284651 /nfs/dbraw/zinc/28/46/51/648284651.db2.gz OULFZDKMBCKEBA-INIZCTEOSA-N 1 3 322.522 2.014 20 0 DEADHO CCc1ccc([C@H](CNC(=O)C[C@H]([NH3+])C2CC2)N(C)C)cc1 ZINC000825776672 648810898 /nfs/dbraw/zinc/81/08/98/648810898.db2.gz SBRVLEQHJIXUAY-IRXDYDNUSA-N 1 3 303.450 2.095 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000940917998 648970557 /nfs/dbraw/zinc/97/05/57/648970557.db2.gz HXNHONXLZOQDDE-IRXDYDNUSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000940917998 648970560 /nfs/dbraw/zinc/97/05/60/648970560.db2.gz HXNHONXLZOQDDE-IRXDYDNUSA-N 1 3 321.509 2.486 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)c2cccc(C[NH3+])c2)N(C)C)cc1 ZINC000827815106 649090300 /nfs/dbraw/zinc/09/03/00/649090300.db2.gz NESSOEZGBBUZAK-GOSISDBHSA-N 1 3 311.429 2.486 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC000995180069 649108541 /nfs/dbraw/zinc/10/85/41/649108541.db2.gz DAAGRIOONZGIRO-CVEARBPZSA-N 1 3 318.465 2.325 20 0 DEADHO CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC000942053182 649143022 /nfs/dbraw/zinc/14/30/22/649143022.db2.gz KVSBYTVNMLPGON-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC000942053182 649143024 /nfs/dbraw/zinc/14/30/24/649143024.db2.gz KVSBYTVNMLPGON-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc(Cl)n1 ZINC000832750534 649741271 /nfs/dbraw/zinc/74/12/71/649741271.db2.gz SMFPNHLLDVMFGZ-YRGRVCCFSA-N 1 3 324.856 2.019 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(C[C@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844292743 651105642 /nfs/dbraw/zinc/10/56/42/651105642.db2.gz LAELQANRGWPQQX-INIZCTEOSA-N 1 3 309.454 2.022 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(C[C@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844292743 651105643 /nfs/dbraw/zinc/10/56/43/651105643.db2.gz LAELQANRGWPQQX-INIZCTEOSA-N 1 3 309.454 2.022 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000848302916 651450664 /nfs/dbraw/zinc/45/06/64/651450664.db2.gz PVMHZUOCRIIRGM-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000848718724 651497270 /nfs/dbraw/zinc/49/72/70/651497270.db2.gz QFKKWNOPCVWFMG-YRGRVCCFSA-N 1 3 318.339 2.478 20 0 DEADHO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc2c(c1)CCCO2 ZINC000850426845 651926587 /nfs/dbraw/zinc/92/65/87/651926587.db2.gz FZPQENQVLBTIHT-YOEHRIQHSA-N 1 3 304.434 2.119 20 0 DEADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc2c(c1)CCCO2 ZINC000850437902 651929108 /nfs/dbraw/zinc/92/91/08/651929108.db2.gz UZWBHRMNJKCENC-CQSZACIVSA-N 1 3 304.434 2.119 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC001390069403 1155519394 /nfs/dbraw/zinc/51/93/94/1155519394.db2.gz WKTBKYKBLLYSQD-ZDUSSCGKSA-N 1 3 323.403 2.109 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC001390069403 1155519397 /nfs/dbraw/zinc/51/93/97/1155519397.db2.gz WKTBKYKBLLYSQD-ZDUSSCGKSA-N 1 3 323.403 2.109 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001390070186 1155519950 /nfs/dbraw/zinc/51/99/50/1155519950.db2.gz DZORJAOMIIEUDD-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc(Cl)n1 ZINC000851646791 652197792 /nfs/dbraw/zinc/19/77/92/652197792.db2.gz LSWQKVRMPWZAJF-DDTOSNHZSA-N 1 3 324.856 2.019 20 0 DEADHO [NH3+]Cc1cccc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)c1 ZINC000851646627 652198002 /nfs/dbraw/zinc/19/80/02/652198002.db2.gz ZFONJOARVWTGKR-KRWDZBQOSA-N 1 3 311.385 2.059 20 0 DEADHO CN1CC[C@@H]([NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC1(C)C ZINC000858135661 652262904 /nfs/dbraw/zinc/26/29/04/652262904.db2.gz BMAWLWFBCSIUQF-SJORKVTESA-N 1 3 309.498 2.092 20 0 DEADHO CN(C(=O)C=C1CC[NH2+]CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000852884052 652474751 /nfs/dbraw/zinc/47/47/51/652474751.db2.gz SLYGXUJTLWTDTP-SFHVURJKSA-N 1 3 313.445 2.029 20 0 DEADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCCN(CCC(F)(F)F)C1 ZINC001370985068 1155662855 /nfs/dbraw/zinc/66/28/55/1155662855.db2.gz ZGLWDVQFNGKDKJ-OLZOCXBDSA-N 1 3 323.403 2.107 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001392963922 1157570451 /nfs/dbraw/zinc/57/04/51/1157570451.db2.gz RULCQPSLLOSJDN-IAGOWNOFSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@H+](C(C)C)C1 ZINC001392963922 1157570459 /nfs/dbraw/zinc/57/04/59/1157570459.db2.gz RULCQPSLLOSJDN-IAGOWNOFSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)CC[C@@H]21 ZINC001374565837 1157909572 /nfs/dbraw/zinc/90/95/72/1157909572.db2.gz OGJZWMRCEIRHFF-SJORKVTESA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)CC[C@@H]21 ZINC001374565837 1157909596 /nfs/dbraw/zinc/90/95/96/1157909596.db2.gz OGJZWMRCEIRHFF-SJORKVTESA-N 1 3 309.498 2.296 20 0 DEADHO c1ccc(CN2CCC[C@@H]2CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC000390554464 685441240 /nfs/dbraw/zinc/44/12/40/685441240.db2.gz FZMGKWCLEKHKCM-AXGBLAMUSA-N 1 3 311.473 2.237 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(Cl)cc1 ZINC000104153156 684058636 /nfs/dbraw/zinc/05/86/36/684058636.db2.gz ZHINDYAXFYFSGN-OAHLLOKOSA-N 1 3 308.857 2.271 20 0 DEADHO CC[C@H](CNC(=O)CCCCC[NH3+])N1CCc2ccccc2C1 ZINC000155448453 684273554 /nfs/dbraw/zinc/27/35/54/684273554.db2.gz KLXMNZSDFIXCGU-GOSISDBHSA-N 1 3 317.477 2.459 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000928836075 693852586 /nfs/dbraw/zinc/85/25/86/693852586.db2.gz MTQPMUMCRBFGTL-IAGOWNOFSA-N 1 3 318.465 2.065 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@@]3(CC[N@H+](CC4CC4)C3)C2)CCC1 ZINC001054142520 693860887 /nfs/dbraw/zinc/86/08/87/693860887.db2.gz FBOUPQNIXRFUFV-SFHVURJKSA-N 1 3 319.493 2.195 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@@]3(CC[N@@H+](CC4CC4)C3)C2)CCC1 ZINC001054142520 693860890 /nfs/dbraw/zinc/86/08/90/693860890.db2.gz FBOUPQNIXRFUFV-SFHVURJKSA-N 1 3 319.493 2.195 20 0 DEADHO CC(C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001054144942 693862099 /nfs/dbraw/zinc/86/20/99/693862099.db2.gz FRAHAPDZJGRFCE-AEFFLSMTSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001054144942 693862103 /nfs/dbraw/zinc/86/21/03/693862103.db2.gz FRAHAPDZJGRFCE-AEFFLSMTSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001054198260 693878979 /nfs/dbraw/zinc/87/89/79/693878979.db2.gz TZGGGQCPABRGHZ-WMZOPIPTSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001054198260 693878982 /nfs/dbraw/zinc/87/89/82/693878982.db2.gz TZGGGQCPABRGHZ-WMZOPIPTSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001054197456 693879201 /nfs/dbraw/zinc/87/92/01/693879201.db2.gz BWJNUYAQZUONET-SJLPKXTDSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001054197456 693879206 /nfs/dbraw/zinc/87/92/06/693879206.db2.gz BWJNUYAQZUONET-SJLPKXTDSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CCC1CCCC1 ZINC001054734075 694034508 /nfs/dbraw/zinc/03/45/08/694034508.db2.gz ACIVFYWYZPOQPH-CRAIPNDOSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CC1=CCCCC1 ZINC001054735578 694035388 /nfs/dbraw/zinc/03/53/88/694035388.db2.gz HFHHIPWSQWMSIS-QAPCUYQASA-N 1 3 319.493 2.408 20 0 DEADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CC1=CCCCC1 ZINC001054739511 694036177 /nfs/dbraw/zinc/03/61/77/694036177.db2.gz UFIFODIZFCIDJP-DOTOQJQBSA-N 1 3 319.493 2.408 20 0 DEADHO C[C@@H](CNC(=[NH2+])Nc1ccc(CCO)cc1)N1CCC[C@@H](C)C1 ZINC000864453230 686725160 /nfs/dbraw/zinc/72/51/60/686725160.db2.gz LOFCUAIPBDSSDZ-CABCVRRESA-N 1 3 318.465 2.278 20 0 DEADHO COC(=O)/C=C/c1ccc(OCCN[C@@](C)(C[NH3+])C(C)C)cc1 ZINC000866662070 687644002 /nfs/dbraw/zinc/64/40/02/687644002.db2.gz WMSWNCPCEYQUBG-HKMNZKMDSA-N 1 3 320.433 2.215 20 0 DEADHO CC1(C)CCNCC[N@@H+]1CCC(=O)N1CCc2sccc2C1 ZINC000866700209 687657411 /nfs/dbraw/zinc/65/74/11/687657411.db2.gz SXBSYQLKPUWCBX-UHFFFAOYSA-N 1 3 321.490 2.097 20 0 DEADHO CC1(C)CCNCC[N@H+]1CCC(=O)N1CCc2sccc2C1 ZINC000866700209 687657416 /nfs/dbraw/zinc/65/74/16/687657416.db2.gz SXBSYQLKPUWCBX-UHFFFAOYSA-N 1 3 321.490 2.097 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001016951720 687741463 /nfs/dbraw/zinc/74/14/63/687741463.db2.gz SOVQETFRRBJGIY-MRXNPFEDSA-N 1 3 316.449 2.031 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC12CC[NH+](CC1CCC1)CC2 ZINC001016951649 687741875 /nfs/dbraw/zinc/74/18/75/687741875.db2.gz RBRHADORHYULGH-MRXNPFEDSA-N 1 3 316.449 2.031 20 0 DEADHO CC[C@@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001017849795 687972362 /nfs/dbraw/zinc/97/23/62/687972362.db2.gz KWJWJXBQGKMJPD-ICUGJSFKSA-N 1 3 321.509 2.438 20 0 DEADHO CC[C@@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001017849795 687972369 /nfs/dbraw/zinc/97/23/69/687972369.db2.gz KWJWJXBQGKMJPD-ICUGJSFKSA-N 1 3 321.509 2.438 20 0 DEADHO CN(CC(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)C1)C1CCC1 ZINC001018972803 688264102 /nfs/dbraw/zinc/26/41/02/688264102.db2.gz PXJANWZKUVMNEW-INIZCTEOSA-N 1 3 319.493 2.242 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001019394971 688346365 /nfs/dbraw/zinc/34/63/65/688346365.db2.gz UNFSYPHMJRNYKD-ROUUACIJSA-N 1 3 317.477 2.334 20 0 DEADHO COC(=O)[C@@H]1CCCC[C@H]1CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000930602226 694197745 /nfs/dbraw/zinc/19/77/45/694197745.db2.gz NLJCOTLLHDIUOM-LZLYRXPVSA-N 1 3 308.466 2.384 20 0 DEADHO COC(=O)[C@@H]1CCCC[C@H]1CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000930602226 694197747 /nfs/dbraw/zinc/19/77/47/694197747.db2.gz NLJCOTLLHDIUOM-LZLYRXPVSA-N 1 3 308.466 2.384 20 0 DEADHO COC(=O)[C@@H]1CCCC[C@@H]1CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000930602224 694197990 /nfs/dbraw/zinc/19/79/90/694197990.db2.gz NLJCOTLLHDIUOM-JFIYKMOQSA-N 1 3 308.466 2.384 20 0 DEADHO COC(=O)[C@@H]1CCCC[C@@H]1CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000930602224 694197993 /nfs/dbraw/zinc/19/79/93/694197993.db2.gz NLJCOTLLHDIUOM-JFIYKMOQSA-N 1 3 308.466 2.384 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCC2)C1 ZINC001019820331 688413488 /nfs/dbraw/zinc/41/34/88/688413488.db2.gz GLCQVCBCUGNGLV-IRXDYDNUSA-N 1 3 307.482 2.242 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccsc2)C1 ZINC001019822825 688413590 /nfs/dbraw/zinc/41/35/90/688413590.db2.gz GOVXTTRHLOZTNO-JKSUJKDBSA-N 1 3 321.490 2.313 20 0 DEADHO CC(C)N(C)CC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000870191103 688507628 /nfs/dbraw/zinc/50/76/28/688507628.db2.gz LMMJEKWFAAYTLT-UHFFFAOYSA-N 1 3 317.477 2.106 20 0 DEADHO Cc1cccc(CN2CC[C@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC000870908296 688683668 /nfs/dbraw/zinc/68/36/68/688683668.db2.gz ZPJJIUXHGYHYNT-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000870959242 688695754 /nfs/dbraw/zinc/69/57/54/688695754.db2.gz ZKJZULZENKOFES-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CC1(C)CC[NH2+]CCN1C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000872297403 688976768 /nfs/dbraw/zinc/97/67/68/688976768.db2.gz NTXOGMZDORWWLL-UHFFFAOYSA-N 1 3 324.428 2.461 20 0 DEADHO CC(C)[C@@H](CNc1cc[nH+]cc1C1CC1)N1CCN(C)CC1 ZINC000872403773 688993263 /nfs/dbraw/zinc/99/32/63/688993263.db2.gz XUQWNRJGHQYFKH-GOSISDBHSA-N 1 3 302.466 2.065 20 0 DEADHO Cc1ccccc1[C@H](C)N1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032182561 689079262 /nfs/dbraw/zinc/07/92/62/689079262.db2.gz NMNHUNGDBGABTI-RDJZCZTQSA-N 1 3 315.461 2.056 20 0 DEADHO Cc1ccccc1[C@H](C)N1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032182561 689079265 /nfs/dbraw/zinc/07/92/65/689079265.db2.gz NMNHUNGDBGABTI-RDJZCZTQSA-N 1 3 315.461 2.056 20 0 DEADHO CC(C)C[NH+]1CC(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001032204840 689083274 /nfs/dbraw/zinc/08/32/74/689083274.db2.gz HLTVKOBOHFHHME-UHFFFAOYSA-N 1 3 303.450 2.066 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCCC1 ZINC001032433976 689150612 /nfs/dbraw/zinc/15/06/12/689150612.db2.gz WSIHKBITOFRWIT-BZSNNMDCSA-N 1 3 319.493 2.336 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCCC1 ZINC001032433976 689150613 /nfs/dbraw/zinc/15/06/13/689150613.db2.gz WSIHKBITOFRWIT-BZSNNMDCSA-N 1 3 319.493 2.336 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCC1 ZINC001032433976 689150615 /nfs/dbraw/zinc/15/06/15/689150615.db2.gz WSIHKBITOFRWIT-BZSNNMDCSA-N 1 3 319.493 2.336 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCC1 ZINC001032433976 689150616 /nfs/dbraw/zinc/15/06/16/689150616.db2.gz WSIHKBITOFRWIT-BZSNNMDCSA-N 1 3 319.493 2.336 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H]2C[C@H]1CN2CCC1CC1 ZINC001032445481 689153849 /nfs/dbraw/zinc/15/38/49/689153849.db2.gz HWDKWDOBSGGLTL-BZSNNMDCSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H]2C[C@H]1CN2CCC1CC1 ZINC001032445481 689153853 /nfs/dbraw/zinc/15/38/53/689153853.db2.gz HWDKWDOBSGGLTL-BZSNNMDCSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)(C)[C@]1(CN)CC[N@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000873222911 689187293 /nfs/dbraw/zinc/18/72/93/689187293.db2.gz DOUHAFAPCMCOTP-SFHVURJKSA-N 1 3 313.449 2.464 20 0 DEADHO CC(C)(C)[C@]1(CN)CC[N@@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000873222911 689187295 /nfs/dbraw/zinc/18/72/95/689187295.db2.gz DOUHAFAPCMCOTP-SFHVURJKSA-N 1 3 313.449 2.464 20 0 DEADHO CC1(C)CC[C@@H](C[NH2+]C2CCN(Cc3ccncc3)CC2)NC1 ZINC000873235016 689190893 /nfs/dbraw/zinc/19/08/93/689190893.db2.gz JWDDDJUPVVNHPW-SFHVURJKSA-N 1 3 316.493 2.414 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1C[C@H](C(=O)OCc2ccccc2)C1 ZINC000873274525 689199852 /nfs/dbraw/zinc/19/98/52/689199852.db2.gz VUYQGMQGYLAEPR-VDHUWJSZSA-N 1 3 316.445 2.486 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CC2)CC1 ZINC001032710585 689232723 /nfs/dbraw/zinc/23/27/23/689232723.db2.gz HTKGJIDLCKFMRF-ROUUACIJSA-N 1 3 319.493 2.192 20 0 DEADHO CN(C(=O)C(C)(C)N1CCCC1)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001033317910 689460463 /nfs/dbraw/zinc/46/04/63/689460463.db2.gz DWXXUZREGAWERW-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C(=O)C(C)(C)N1CCCC1)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033317910 689460466 /nfs/dbraw/zinc/46/04/66/689460466.db2.gz DWXXUZREGAWERW-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCCN1C ZINC000875151527 689580730 /nfs/dbraw/zinc/58/07/30/689580730.db2.gz IVQAKNOJCCWLPK-KRWDZBQOSA-N 1 3 324.513 2.090 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC(C)C)C1 ZINC001034240965 689777597 /nfs/dbraw/zinc/77/75/97/689777597.db2.gz VNXREZVTGJGZGP-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC(C)C)C1 ZINC001034240965 689777599 /nfs/dbraw/zinc/77/75/99/689777599.db2.gz VNXREZVTGJGZGP-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CC2)C1 ZINC001034285318 689794720 /nfs/dbraw/zinc/79/47/20/689794720.db2.gz BSBBEULAYHZLCK-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CC2)C1 ZINC001034285318 689794722 /nfs/dbraw/zinc/79/47/22/689794722.db2.gz BSBBEULAYHZLCK-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000876709329 689911824 /nfs/dbraw/zinc/91/18/24/689911824.db2.gz PAONYUHVBFOHEB-BRWVUGGUSA-N 1 3 315.461 2.313 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC2)CC1 ZINC001034659446 689921163 /nfs/dbraw/zinc/92/11/63/689921163.db2.gz UUKUZZSEMDXNOC-BRWVUGGUSA-N 1 3 307.482 2.288 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC[C@H]([NH2+]CCC2CC2)CC1 ZINC001034736226 689937047 /nfs/dbraw/zinc/93/70/47/689937047.db2.gz TUWZFTQIAYIKNW-DJIMGWMZSA-N 1 3 307.482 2.288 20 0 DEADHO CN(C)CCN(Cc1ccccc1)C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876874066 689960907 /nfs/dbraw/zinc/96/09/07/689960907.db2.gz ZEAHFFOEFKBJCO-MQNTZWLQSA-N 1 3 315.461 2.133 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+]Cc2cccc(Cl)c2N)CC1 ZINC000876931105 689975522 /nfs/dbraw/zinc/97/55/22/689975522.db2.gz IWBWUDWQAHREMD-CYBMUJFWSA-N 1 3 310.873 2.038 20 0 DEADHO CC[C@@H]([NH2+]C)C(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21 ZINC000877030924 690001691 /nfs/dbraw/zinc/00/16/91/690001691.db2.gz NSYHIFFITQBLPQ-BFYDXBDKSA-N 1 3 301.434 2.127 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)C[C@@H]1CC[NH2+]C1 ZINC000877030908 690001817 /nfs/dbraw/zinc/00/18/17/690001817.db2.gz NLDUZXSPVFVQPA-YXJHDRRASA-N 1 3 313.445 2.129 20 0 DEADHO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)[C@@H](N)CC(F)F ZINC000877030214 690002092 /nfs/dbraw/zinc/00/20/92/690002092.db2.gz BOXQPZIWYNKSFD-VNHYZAJKSA-N 1 3 323.387 2.112 20 0 DEADHO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)[C@@H](N)CC(F)F ZINC000877030214 690002094 /nfs/dbraw/zinc/00/20/94/690002094.db2.gz BOXQPZIWYNKSFD-VNHYZAJKSA-N 1 3 323.387 2.112 20 0 DEADHO O=C(CN1CCCC1)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001035125622 690033852 /nfs/dbraw/zinc/03/38/52/690033852.db2.gz KSXAAXDJAFZIHJ-QGZVFWFLSA-N 1 3 305.466 2.163 20 0 DEADHO C[NH+](C)CCOc1cc(CNC[C@@H]2CC2(Cl)Cl)ccn1 ZINC000877163100 690035187 /nfs/dbraw/zinc/03/51/87/690035187.db2.gz OJLCSBJCUFMEAA-LBPRGKRZSA-N 1 3 318.248 2.305 20 0 DEADHO CCC[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001035194446 690056643 /nfs/dbraw/zinc/05/66/43/690056643.db2.gz NFSUDUNLRLGNQZ-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[N@H+]1CCC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001035194446 690056647 /nfs/dbraw/zinc/05/66/47/690056647.db2.gz NFSUDUNLRLGNQZ-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@H]1C)CC2 ZINC001035228319 690066718 /nfs/dbraw/zinc/06/67/18/690066718.db2.gz IKMPEQRFZSOGST-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@H]1C)CC2 ZINC001035228319 690066721 /nfs/dbraw/zinc/06/67/21/690066721.db2.gz IKMPEQRFZSOGST-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC3(CC[N@H+](CC4CC4)C3)CC2)C1 ZINC001035227437 690067254 /nfs/dbraw/zinc/06/72/54/690067254.db2.gz SASJFSLSTBZYCW-INIZCTEOSA-N 1 3 319.493 2.053 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC3(CC[N@@H+](CC4CC4)C3)CC2)C1 ZINC001035227437 690067258 /nfs/dbraw/zinc/06/72/58/690067258.db2.gz SASJFSLSTBZYCW-INIZCTEOSA-N 1 3 319.493 2.053 20 0 DEADHO CC(C)=CC[NH+]1CC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001035720959 690161002 /nfs/dbraw/zinc/16/10/02/690161002.db2.gz PDTOAROYCXIGHF-UHFFFAOYSA-N 1 3 319.493 2.361 20 0 DEADHO CC[C@H](C(=O)N1CCC2(C[NH+](CC3CCC3)C2)CC1)N(C)C ZINC001035731825 690163154 /nfs/dbraw/zinc/16/31/54/690163154.db2.gz NKDAJMDTRWAEBJ-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)CC[NH+]1CC2(C1)CCN(C(=O)CN1CCC[C@H]1C)CC2 ZINC001035799113 690179862 /nfs/dbraw/zinc/17/98/62/690179862.db2.gz TWZDREZYXYZERL-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CCOc1ccc(CN(CCOC)CC2CC[NH+](C)CC2)nc1 ZINC000877664767 690182745 /nfs/dbraw/zinc/18/27/45/690182745.db2.gz WACCYLAUKOYJBZ-UHFFFAOYSA-N 1 3 321.465 2.271 20 0 DEADHO CCC[NH2+][C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001036028730 690239546 /nfs/dbraw/zinc/23/95/46/690239546.db2.gz KYRPMFFMOZCTBC-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CCC1CC1 ZINC001036064789 690250915 /nfs/dbraw/zinc/25/09/15/690250915.db2.gz NGEATJVLDFAIIP-RHSMWYFYSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CC1CCC1 ZINC001036069094 690252001 /nfs/dbraw/zinc/25/20/01/690252001.db2.gz YIZHLLVTAKTZPR-YOEHRIQHSA-N 1 3 307.482 2.097 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)CC2(CO)CCCC2)C[C@@H]1C ZINC000878163760 690330923 /nfs/dbraw/zinc/33/09/23/690330923.db2.gz VIQSNGOCLPAUOO-ULQDDVLXSA-N 1 3 312.498 2.095 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)CC2(CO)CCCC2)C[C@@H]1C ZINC000878163760 690330928 /nfs/dbraw/zinc/33/09/28/690330928.db2.gz VIQSNGOCLPAUOO-ULQDDVLXSA-N 1 3 312.498 2.095 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H]2CC3(CO2)CCOCC3)[C@@H](C)C1 ZINC000878258034 690359760 /nfs/dbraw/zinc/35/97/60/690359760.db2.gz MLUPVKYZCJABJQ-ULQDDVLXSA-N 1 3 310.482 2.234 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C[C@@H]2CC3(CO2)CCOCC3)[C@@H](C)C1 ZINC000878258034 690359762 /nfs/dbraw/zinc/35/97/62/690359762.db2.gz MLUPVKYZCJABJQ-ULQDDVLXSA-N 1 3 310.482 2.234 20 0 DEADHO C[C@H](c1ccccc1)[C@H](O)CN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000931315663 694365776 /nfs/dbraw/zinc/36/57/76/694365776.db2.gz YZQWMPJWZRICKA-OWYHZJEWSA-N 1 3 302.462 2.425 20 0 DEADHO C[C@H](c1ccccc1)[C@H](O)CN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000931315663 694365778 /nfs/dbraw/zinc/36/57/78/694365778.db2.gz YZQWMPJWZRICKA-OWYHZJEWSA-N 1 3 302.462 2.425 20 0 DEADHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@H]1C[NH2+]CC1CCCC1 ZINC001036580195 690390149 /nfs/dbraw/zinc/39/01/49/690390149.db2.gz YHRLFPDWYLMCOR-PBHICJAKSA-N 1 3 318.465 2.359 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CC3CCC3)C2)CCC1 ZINC001036736348 690451953 /nfs/dbraw/zinc/45/19/53/690451953.db2.gz YSSOIUXPMSAWGQ-IAGOWNOFSA-N 1 3 319.493 2.194 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CC3CCC3)C2)CCC1 ZINC001036736348 690451955 /nfs/dbraw/zinc/45/19/55/690451955.db2.gz YSSOIUXPMSAWGQ-IAGOWNOFSA-N 1 3 319.493 2.194 20 0 DEADHO CCCC[N@@H+]1CC[C@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@@H]21 ZINC001036735988 690452675 /nfs/dbraw/zinc/45/26/75/690452675.db2.gz TUYMYZOUWXMGLV-HOTGVXAUSA-N 1 3 307.482 2.194 20 0 DEADHO CCCC[N@H+]1CC[C@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@@H]21 ZINC001036735988 690452678 /nfs/dbraw/zinc/45/26/78/690452678.db2.gz TUYMYZOUWXMGLV-HOTGVXAUSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820702 690485469 /nfs/dbraw/zinc/48/54/69/690485469.db2.gz NDJJHHAXQHLNLJ-SJORKVTESA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820702 690485470 /nfs/dbraw/zinc/48/54/70/690485470.db2.gz NDJJHHAXQHLNLJ-SJORKVTESA-N 1 3 321.509 2.297 20 0 DEADHO CN1CC[NH+](C2CCN(C[C@H]3CCC4(CCCC4)O3)CC2)CC1 ZINC000879596509 690683792 /nfs/dbraw/zinc/68/37/92/690683792.db2.gz NJIOXNVNLTWZEL-GOSISDBHSA-N 1 3 321.509 2.190 20 0 DEADHO Cc1cc(NC(=O)CN(CC(C)C)CC2CC[NH+](C)CC2)on1 ZINC000879702560 690710208 /nfs/dbraw/zinc/71/02/08/690710208.db2.gz QAMJIBCUNRBNAT-UHFFFAOYSA-N 1 3 322.453 2.221 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2CC2CC3(CCC3)C2)CC[N@@H+]1C ZINC001038265486 690762911 /nfs/dbraw/zinc/76/29/11/690762911.db2.gz KPXJJDJQVMQRRH-DJIMGWMZSA-N 1 3 319.493 2.097 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2CC2CC3(CCC3)C2)CC[N@H+]1C ZINC001038265486 690762913 /nfs/dbraw/zinc/76/29/13/690762913.db2.gz KPXJJDJQVMQRRH-DJIMGWMZSA-N 1 3 319.493 2.097 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2CCC2CCCC2)CC[N@@H+]1C ZINC001038272242 690764119 /nfs/dbraw/zinc/76/41/19/690764119.db2.gz HWRATXDXFWLEBV-FGTMMUONSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2CCC2CCCC2)CC[N@H+]1C ZINC001038272242 690764124 /nfs/dbraw/zinc/76/41/24/690764124.db2.gz HWRATXDXFWLEBV-FGTMMUONSA-N 1 3 321.509 2.488 20 0 DEADHO O=C(NC[C@H]1CCN1CCCC1CCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001038269771 690764333 /nfs/dbraw/zinc/76/43/33/690764333.db2.gz QDXMEMJYKULHBV-QZTJIDSGSA-N 1 3 319.493 2.099 20 0 DEADHO O=C(NC[C@H]1CCN1CCC1CCCC1)C12CCC[NH+]1CCC2 ZINC001038455502 690827185 /nfs/dbraw/zinc/82/71/85/690827185.db2.gz RWLXSZNTNWMWQZ-QGZVFWFLSA-N 1 3 319.493 2.386 20 0 DEADHO C[NH+]1CCC(C(=O)NC[C@H]2CCN2CCC2CCCCC2)CC1 ZINC001038663991 690890518 /nfs/dbraw/zinc/89/05/18/690890518.db2.gz RSGKFGTXJWLXCB-GOSISDBHSA-N 1 3 321.509 2.489 20 0 DEADHO COc1cccc(SCCN2CCC(O)(C[NH+](C)C)CC2)c1 ZINC000931480686 694408896 /nfs/dbraw/zinc/40/88/96/694408896.db2.gz JHKWYIMERCCCGB-UHFFFAOYSA-N 1 3 324.490 2.176 20 0 DEADHO CC[C@H](C(=O)N1CCC([NH+](CC2CC2)CC2CC2)CC1)N(C)C ZINC001039486359 691117767 /nfs/dbraw/zinc/11/77/67/691117767.db2.gz JBSIZDAQUDCWAJ-GOSISDBHSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1)[NH+](C)C ZINC001039900229 691162371 /nfs/dbraw/zinc/16/23/71/691162371.db2.gz POYUBTVAWQDHSG-FGTMMUONSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001040396992 691241886 /nfs/dbraw/zinc/24/18/86/691241886.db2.gz XNTRUFVEJSQIPQ-HKUYNNGSSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001040396992 691241888 /nfs/dbraw/zinc/24/18/88/691241888.db2.gz XNTRUFVEJSQIPQ-HKUYNNGSSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040465466 691252380 /nfs/dbraw/zinc/25/23/80/691252380.db2.gz YIVUCEUDXARIQZ-IBGZPJMESA-N 1 3 321.509 2.443 20 0 DEADHO CCC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040465466 691252384 /nfs/dbraw/zinc/25/23/84/691252384.db2.gz YIVUCEUDXARIQZ-IBGZPJMESA-N 1 3 321.509 2.443 20 0 DEADHO CC[C@H](C(=O)N1CCC2(C1)CC[NH+](CCCF)CC2)N(C)C ZINC001040746275 691284760 /nfs/dbraw/zinc/28/47/60/691284760.db2.gz YDHSNQPPXQZPAE-OAHLLOKOSA-N 1 3 313.461 2.001 20 0 DEADHO CC(C)C[NH+]1CCC2(CCN(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001040847951 691292771 /nfs/dbraw/zinc/29/27/71/691292771.db2.gz CYTDYLCVSCPOED-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001041358160 691367179 /nfs/dbraw/zinc/36/71/79/691367179.db2.gz LPZQOHYGWOOIHB-HKUYNNGSSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001041358160 691367183 /nfs/dbraw/zinc/36/71/83/691367183.db2.gz LPZQOHYGWOOIHB-HKUYNNGSSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001041378141 691369129 /nfs/dbraw/zinc/36/91/29/691369129.db2.gz HNANLSPSCLIBPA-PKOBYXMFSA-N 1 3 321.509 2.463 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001041378141 691369130 /nfs/dbraw/zinc/36/91/30/691369130.db2.gz HNANLSPSCLIBPA-PKOBYXMFSA-N 1 3 321.509 2.463 20 0 DEADHO CC[C@H](C(=O)N1CC[C@]2(CC[N@H+](CC=C(C)C)C2)C1)N(C)C ZINC001041401479 691371522 /nfs/dbraw/zinc/37/15/22/691371522.db2.gz BJHLKGCYWVBZSE-AEFFLSMTSA-N 1 3 307.482 2.217 20 0 DEADHO CC[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CC=C(C)C)C2)C1)N(C)C ZINC001041401479 691371524 /nfs/dbraw/zinc/37/15/24/691371524.db2.gz BJHLKGCYWVBZSE-AEFFLSMTSA-N 1 3 307.482 2.217 20 0 DEADHO CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001041647575 691405020 /nfs/dbraw/zinc/40/50/20/691405020.db2.gz YJUTYLYRKBOALF-SJLPKXTDSA-N 1 3 309.498 2.297 20 0 DEADHO CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001041647575 691405021 /nfs/dbraw/zinc/40/50/21/691405021.db2.gz YJUTYLYRKBOALF-SJLPKXTDSA-N 1 3 309.498 2.297 20 0 DEADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H](CO)C2CC2)CC1 ZINC000883002278 691407493 /nfs/dbraw/zinc/40/74/93/691407493.db2.gz BQNUAXZEGFWLIE-SFHVURJKSA-N 1 3 317.477 2.079 20 0 DEADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(CCCOC(F)(F)F)CC1 ZINC000883432332 691508106 /nfs/dbraw/zinc/50/81/06/691508106.db2.gz PIMGVSUWXRECCO-QWHCGFSZSA-N 1 3 310.360 2.131 20 0 DEADHO CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000884178518 691674863 /nfs/dbraw/zinc/67/48/63/691674863.db2.gz NJHOQASFQRZOBK-ZIAGYGMSSA-N 1 3 321.490 2.247 20 0 DEADHO [NH3+][C@@H](CC1CC1)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000884178911 691675825 /nfs/dbraw/zinc/67/58/25/691675825.db2.gz YKUYHUDBNPSMSK-KBPBESRZSA-N 1 3 307.463 2.129 20 0 DEADHO COCC[C@H](N)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000884197672 691679913 /nfs/dbraw/zinc/67/99/13/691679913.db2.gz BFFRIAVNBWGNJJ-KRWDZBQOSA-N 1 3 319.449 2.017 20 0 DEADHO CN(C)C[C@@H](NC(=O)[C@@H]1C[NH2+]CC1(C)C)c1ccc(Cl)cc1 ZINC000884312272 691706860 /nfs/dbraw/zinc/70/68/60/691706860.db2.gz ABUGIBWVJXDFRL-LSDHHAIUSA-N 1 3 323.868 2.305 20 0 DEADHO CN(C(=O)CC1CC[NH+](C)CC1)C1CN(CC2CCCCC2)C1 ZINC001044007795 691758518 /nfs/dbraw/zinc/75/85/18/691758518.db2.gz HTRQALJZNTUSCW-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CN(CC2CCCCCC2)C1 ZINC001044292708 691801065 /nfs/dbraw/zinc/80/10/65/691801065.db2.gz PQDFYXCHLJQJDP-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(CC2CCCCCC2)C1 ZINC001044292708 691801069 /nfs/dbraw/zinc/80/10/69/691801069.db2.gz PQDFYXCHLJQJDP-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1C[C@H]([NH2+]Cc2ccsc2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044756922 691882704 /nfs/dbraw/zinc/88/27/04/691882704.db2.gz RUYYTFMSFSPQCJ-GXTWGEPZSA-N 1 3 318.446 2.183 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CC3CCC3)C[C@H]2C)CC1 ZINC001044790131 691887961 /nfs/dbraw/zinc/88/79/61/691887961.db2.gz BPIFCGVPMULSEG-SJLPKXTDSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1F)N(C)C ZINC001045205481 691951118 /nfs/dbraw/zinc/95/11/18/691951118.db2.gz LWBHVYZCRFIGSJ-RDJZCZTQSA-N 1 3 321.440 2.247 20 0 DEADHO CC1CC(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCC(C)CC2)C1 ZINC001045251555 691956930 /nfs/dbraw/zinc/95/69/30/691956930.db2.gz YHBGXOSDVPQMPT-ABHNRTSZSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2CCOC3(CCOCC3)C2)C1 ZINC000885968948 691973892 /nfs/dbraw/zinc/97/38/92/691973892.db2.gz FVDYMNCXZCQMCW-DLBZAZTESA-N 1 3 310.482 2.425 20 0 DEADHO CCOC(=O)CCCCN1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887132321 692287301 /nfs/dbraw/zinc/28/73/01/692287301.db2.gz CPVMBLMNXOTAIW-HNNXBMFYSA-N 1 3 305.422 2.326 20 0 DEADHO Cc1cc(CN2CC[C@](C)(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cs1 ZINC001046831979 692310966 /nfs/dbraw/zinc/31/09/66/692310966.db2.gz TZEZZEJXVXOOME-WBVHZDCISA-N 1 3 321.490 2.089 20 0 DEADHO Cc1cc(CN2CC[C@](C)(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cs1 ZINC001046831979 692310970 /nfs/dbraw/zinc/31/09/70/692310970.db2.gz TZEZZEJXVXOOME-WBVHZDCISA-N 1 3 321.490 2.089 20 0 DEADHO CC[NH+]1CCC([C@@H]2CCCN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001047255544 692403212 /nfs/dbraw/zinc/40/32/12/692403212.db2.gz ARMQJNHQEDRTLA-SJLPKXTDSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@H]([NH2+]CC1CCC1)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047865123 692503451 /nfs/dbraw/zinc/50/34/51/692503451.db2.gz QEZYIKQPONTYSK-GOEBONIOSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]([NH2+]CC1=CCCCC1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048059525 692540654 /nfs/dbraw/zinc/54/06/54/692540654.db2.gz SRWLDCNQFLQCKQ-WMZOPIPTSA-N 1 3 319.493 2.409 20 0 DEADHO C[C@H]([NH2+]Cc1ccsc1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048066511 692542225 /nfs/dbraw/zinc/54/22/25/692542225.db2.gz ONCHAXBAPSRATL-GOEBONIOSA-N 1 3 321.490 2.171 20 0 DEADHO CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001048069702 692542605 /nfs/dbraw/zinc/54/26/05/692542605.db2.gz TVNNPDXTYAUPFC-LSDHHAIUSA-N 1 3 303.450 2.208 20 0 DEADHO CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001048480924 692627468 /nfs/dbraw/zinc/62/74/68/692627468.db2.gz WWSVRARGBJRYCN-GDBMZVCRSA-N 1 3 303.450 2.066 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C1CC1)N1CCCC1 ZINC001049610955 692940955 /nfs/dbraw/zinc/94/09/55/692940955.db2.gz CBCXHELAMZXSQR-RCCFBDPRSA-N 1 3 319.493 2.336 20 0 DEADHO CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C1CC1)N1CCCC1 ZINC001049610955 692940956 /nfs/dbraw/zinc/94/09/56/692940956.db2.gz CBCXHELAMZXSQR-RCCFBDPRSA-N 1 3 319.493 2.336 20 0 DEADHO CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)N1CCCCCC1 ZINC001049768412 692994347 /nfs/dbraw/zinc/99/43/47/692994347.db2.gz WLAUYRAJTKBPOP-GVDBMIGSSA-N 1 3 307.482 2.336 20 0 DEADHO CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)N1CCCCCC1 ZINC001049768412 692994350 /nfs/dbraw/zinc/99/43/50/692994350.db2.gz WLAUYRAJTKBPOP-GVDBMIGSSA-N 1 3 307.482 2.336 20 0 DEADHO CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H](C)CCN(C)C ZINC000924854005 693193947 /nfs/dbraw/zinc/19/39/47/693193947.db2.gz QZNLGSGYFFMDBX-DCGLDWPTSA-N 1 3 309.429 2.321 20 0 DEADHO CCc1nc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)cs1 ZINC000924906848 693200299 /nfs/dbraw/zinc/20/02/99/693200299.db2.gz LKZWAIBQYDSPAC-MQVJKMGUSA-N 1 3 323.506 2.479 20 0 DEADHO CCc1nc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cs1 ZINC000924906848 693200302 /nfs/dbraw/zinc/20/03/02/693200302.db2.gz LKZWAIBQYDSPAC-MQVJKMGUSA-N 1 3 323.506 2.479 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C1)CC[NH+](CC1CCC1)CC2)N(C)C ZINC001050668792 693228019 /nfs/dbraw/zinc/22/80/19/693228019.db2.gz FNBZJFSVZFKNLJ-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO O=C(CCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)N1CCCCC1 ZINC000925472616 693278284 /nfs/dbraw/zinc/27/82/84/693278284.db2.gz DQBHFDAWULQUDG-DLBZAZTESA-N 1 3 307.482 2.147 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000925491735 693281830 /nfs/dbraw/zinc/28/18/30/693281830.db2.gz FZCHXHXQMONCTM-XFEAVSNESA-N 1 3 311.473 2.408 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000925491731 693281848 /nfs/dbraw/zinc/28/18/48/693281848.db2.gz FZCHXHXQMONCTM-MLEIXFNDSA-N 1 3 311.473 2.408 20 0 DEADHO FC(F)(F)CN1CC[C@H](N[C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925533608 693290940 /nfs/dbraw/zinc/29/09/40/693290940.db2.gz CNVMRWDWPDBKDG-KKUMJFAQSA-N 1 3 319.415 2.381 20 0 DEADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1CCN(c3ncccc3Cl)C1)[NH2+]2 ZINC000925550812 693294728 /nfs/dbraw/zinc/29/47/28/693294728.db2.gz CNOCILIBBOSGCD-YCLREWFLSA-N 1 3 320.868 2.432 20 0 DEADHO O=C(NCCC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)C1CCC1 ZINC000925577494 693301194 /nfs/dbraw/zinc/30/11/94/693301194.db2.gz SGSDCEVJUKKRAI-IAGOWNOFSA-N 1 3 307.482 2.051 20 0 DEADHO Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925581018 693302846 /nfs/dbraw/zinc/30/28/46/693302846.db2.gz PLSCYFFOETTWOT-VNQPRFMTSA-N 1 3 319.449 2.074 20 0 DEADHO OC[C@H](Cc1ccc(F)cc1)N[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925651094 693317510 /nfs/dbraw/zinc/31/75/10/693317510.db2.gz WHDNDTIYBLNJRH-FHWLQOOXSA-N 1 3 320.452 2.487 20 0 DEADHO CCOC(=O)C1=CC[C@H](N[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925717184 693329317 /nfs/dbraw/zinc/32/93/17/693329317.db2.gz AJCVZZJUSGPCFB-BBWFWOEESA-N 1 3 306.450 2.396 20 0 DEADHO CC1(C)[C@H](NC[C@@H]2CCC3(CCOCC3)CO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925735816 693331867 /nfs/dbraw/zinc/33/18/67/693331867.db2.gz IOYWHHMTUQRUIH-VVLHAWIVSA-N 1 3 322.493 2.328 20 0 DEADHO Cc1c([C@H](C)NCC[C@@H]2C[NH2+]C[C@H]2C)nnn1-c1ccccc1 ZINC000925799229 693344082 /nfs/dbraw/zinc/34/40/82/693344082.db2.gz OJHCIEMHMKMJMV-IJEWVQPXSA-N 1 3 313.449 2.472 20 0 DEADHO CC[C@H](CN1CCOCC1)N[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000925824493 693348163 /nfs/dbraw/zinc/34/81/63/693348163.db2.gz YPIFFKVHSLKJEY-QRVBRYPASA-N 1 3 317.477 2.180 20 0 DEADHO C[C@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccnc(Cl)c1 ZINC000925850294 693352523 /nfs/dbraw/zinc/35/25/23/693352523.db2.gz IBYLAQYMNUOXKF-AAEUAGOBSA-N 1 3 323.824 2.071 20 0 DEADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@@](C)(O)c1ccccc1Cl ZINC000926179422 693410124 /nfs/dbraw/zinc/41/01/24/693410124.db2.gz UVTJWMXDOHHPMO-UKGMILFYSA-N 1 3 308.853 2.477 20 0 DEADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@@](C)(O)c1ccccc1Cl ZINC000926179422 693410127 /nfs/dbraw/zinc/41/01/27/693410127.db2.gz UVTJWMXDOHHPMO-UKGMILFYSA-N 1 3 308.853 2.477 20 0 DEADHO CCCN1C[C@@H](C[NH2+]C2CCN(CCC(C)C)CC2)CC1=O ZINC000926602852 693476939 /nfs/dbraw/zinc/47/69/39/693476939.db2.gz YSOXWOAZVOJQIN-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO FC(F)(F)CN1CCC[C@H]1CNC1CC[NH+](CC2CC2)CC1 ZINC000926926114 693529955 /nfs/dbraw/zinc/52/99/55/693529955.db2.gz NNZCTARAKYXKBM-HNNXBMFYSA-N 1 3 319.415 2.477 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC(C)C)CC1 ZINC001052425731 693531171 /nfs/dbraw/zinc/53/11/71/693531171.db2.gz BURIGNHIQFVJEX-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(C)C)CC1 ZINC001052425731 693531174 /nfs/dbraw/zinc/53/11/74/693531174.db2.gz BURIGNHIQFVJEX-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)=CC[N@H+]1CCC[C@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001052713322 693602237 /nfs/dbraw/zinc/60/22/37/693602237.db2.gz UZQFTBJHHLSLRO-IRXDYDNUSA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001052713322 693602240 /nfs/dbraw/zinc/60/22/40/693602240.db2.gz UZQFTBJHHLSLRO-IRXDYDNUSA-N 1 3 307.482 2.408 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccsc1)C1CC1)N(C)C ZINC001402321721 1162324705 /nfs/dbraw/zinc/32/47/05/1162324705.db2.gz GHOCLEWYFHVAIR-CABCVRRESA-N 1 3 309.479 2.073 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@H]2CN(CN3CCC4(CCCC4)C3=O)C[C@H]2C1 ZINC001334725528 1150336312 /nfs/dbraw/zinc/33/63/12/1150336312.db2.gz OWONBJZIDYDAGB-GVDBMIGSSA-N 1 3 319.493 2.399 20 0 DEADHO Cc1cc(NC(=O)CCNC[C@@H]2CCC[N@H+](CC3CC3)C2)no1 ZINC001335413959 1150410675 /nfs/dbraw/zinc/41/06/75/1150410675.db2.gz UBJHSUOIURQPJR-HNNXBMFYSA-N 1 3 320.437 2.023 20 0 DEADHO Cc1cc(NC(=O)CCNC[C@@H]2CCC[N@@H+](CC3CC3)C2)no1 ZINC001335413959 1150410682 /nfs/dbraw/zinc/41/06/82/1150410682.db2.gz UBJHSUOIURQPJR-HNNXBMFYSA-N 1 3 320.437 2.023 20 0 DEADHO CCC[N@H+](C)Cc1ccccc1CNC(=O)CN1CC[C@@H](C)C1 ZINC001402476880 1162364932 /nfs/dbraw/zinc/36/49/32/1162364932.db2.gz IEAJBGLJGRMRTE-MRXNPFEDSA-N 1 3 317.477 2.486 20 0 DEADHO CCC[N@@H+](C)Cc1ccccc1CNC(=O)CN1CC[C@@H](C)C1 ZINC001402476880 1162364936 /nfs/dbraw/zinc/36/49/36/1162364936.db2.gz IEAJBGLJGRMRTE-MRXNPFEDSA-N 1 3 317.477 2.486 20 0 DEADHO COc1cnc(F)c(CN2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c1 ZINC001343335239 1150735500 /nfs/dbraw/zinc/73/55/00/1150735500.db2.gz WICPDQZXOHWSRB-GUTXKFCHSA-N 1 3 307.413 2.391 20 0 DEADHO CC[C@H](F)C[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001402770291 1162466016 /nfs/dbraw/zinc/46/60/16/1162466016.db2.gz NJCLDNZSDIQJSV-LSDHHAIUSA-N 1 3 315.477 2.291 20 0 DEADHO CC[C@@H](F)C[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001402770285 1162466043 /nfs/dbraw/zinc/46/60/43/1162466043.db2.gz NJCLDNZSDIQJSV-CABCVRRESA-N 1 3 315.477 2.291 20 0 DEADHO CCC(CC)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001402768647 1162465922 /nfs/dbraw/zinc/46/59/22/1162465922.db2.gz FTNDDEDGLMRJHD-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2)C1)N(C)C ZINC001378867006 1152473259 /nfs/dbraw/zinc/47/32/59/1152473259.db2.gz KRPXZRAMPPPADX-BRWVUGGUSA-N 1 3 303.450 2.011 20 0 DEADHO Cc1cccc(CN(C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001379117118 1152573307 /nfs/dbraw/zinc/57/33/07/1152573307.db2.gz JZKCGWXFQLPJNY-GOSISDBHSA-N 1 3 319.493 2.471 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC001379770202 1152692783 /nfs/dbraw/zinc/69/27/83/1152692783.db2.gz OVPLVHKGISKURM-YJBOKZPZSA-N 1 3 317.477 2.452 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001379770202 1152692789 /nfs/dbraw/zinc/69/27/89/1152692789.db2.gz OVPLVHKGISKURM-YJBOKZPZSA-N 1 3 317.477 2.452 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C[NH2+]CC1CC1)C1CC1)N1CCCCC1 ZINC001379922889 1152713827 /nfs/dbraw/zinc/71/38/27/1152713827.db2.gz SFYZKYRUVDXKCR-ZWKOTPCHSA-N 1 3 321.509 2.391 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001361747834 1152731302 /nfs/dbraw/zinc/73/13/02/1152731302.db2.gz FKHHDYXQEXBOAK-UHFFFAOYSA-N 1 3 312.417 2.173 20 0 DEADHO C[NH+]1CCC(CC(=O)NC[C@@H]2CCN2CCCC2CCC2)CC1 ZINC001380025994 1152734129 /nfs/dbraw/zinc/73/41/29/1152734129.db2.gz UFEKSKAYIQYKGW-SFHVURJKSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H](CC[NH+](C)C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC001362214710 1152852373 /nfs/dbraw/zinc/85/23/73/1152852373.db2.gz HILYRUYMNLIGCH-SJLPKXTDSA-N 1 3 317.477 2.355 20 0 DEADHO CC[N@@H+]1CCc2c(CNC(=O)CN3CC[C@@H](C)C3)cccc2C1 ZINC001380823568 1152861240 /nfs/dbraw/zinc/86/12/40/1152861240.db2.gz LZCFIVIUHFTWIV-OAHLLOKOSA-N 1 3 315.461 2.023 20 0 DEADHO CC[N@H+]1CCc2c(CNC(=O)CN3CC[C@@H](C)C3)cccc2C1 ZINC001380823568 1152861242 /nfs/dbraw/zinc/86/12/42/1152861242.db2.gz LZCFIVIUHFTWIV-OAHLLOKOSA-N 1 3 315.461 2.023 20 0 DEADHO CCC1([NH2+]CC(C)C)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001381023504 1152894334 /nfs/dbraw/zinc/89/43/34/1152894334.db2.gz SOISRFRKEJGUQV-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CN(CC(C)(C)C[NH2+]Cc1ccccc1)C(=O)Cc1c[nH]cn1 ZINC001381480410 1153081182 /nfs/dbraw/zinc/08/11/82/1153081182.db2.gz CNDCSNSHYLDAAD-UHFFFAOYSA-N 1 3 314.433 2.227 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[N@@H+](C)C[C@H](C)CC(C)C ZINC001381620760 1153158437 /nfs/dbraw/zinc/15/84/37/1153158437.db2.gz IDDCKZDYHBWPBB-ZIAGYGMSSA-N 1 3 308.470 2.379 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[N@H+](C)C[C@H](C)CC(C)C ZINC001381620760 1153158441 /nfs/dbraw/zinc/15/84/41/1153158441.db2.gz IDDCKZDYHBWPBB-ZIAGYGMSSA-N 1 3 308.470 2.379 20 0 DEADHO C[C@H](CC[NH+](C)C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001362968174 1153163972 /nfs/dbraw/zinc/16/39/72/1153163972.db2.gz DLVJCLDLMSMRGY-NUJGCVRESA-N 1 3 317.477 2.353 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCC3CC3)C[C@@H]2C1 ZINC001381921515 1153274624 /nfs/dbraw/zinc/27/46/24/1153274624.db2.gz BHGADLMHZXTYMJ-OKZBNKHCSA-N 1 3 321.509 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCC3CC3)C[C@@H]2C1 ZINC001381921515 1153274626 /nfs/dbraw/zinc/27/46/26/1153274626.db2.gz BHGADLMHZXTYMJ-OKZBNKHCSA-N 1 3 321.509 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001381966485 1153293451 /nfs/dbraw/zinc/29/34/51/1153293451.db2.gz JFHCDJHZBDRIMB-HSFUPAIVSA-N 1 3 321.509 2.249 20 0 DEADHO CC1CC[NH+](CC[C@@H]2CCCN2C[C@H](O)C2(O)CCCC2)CC1 ZINC001363286870 1153314075 /nfs/dbraw/zinc/31/40/75/1153314075.db2.gz GPDVTAVNXAXCIL-ROUUACIJSA-N 1 3 324.509 2.239 20 0 DEADHO CC1CCN(CC[C@@H]2CCC[N@@H+]2C[C@H](O)C2(O)CCCC2)CC1 ZINC001363286870 1153314080 /nfs/dbraw/zinc/31/40/80/1153314080.db2.gz GPDVTAVNXAXCIL-ROUUACIJSA-N 1 3 324.509 2.239 20 0 DEADHO CC1CCN(CC[C@@H]2CCC[N@H+]2C[C@H](O)C2(O)CCCC2)CC1 ZINC001363286870 1153314088 /nfs/dbraw/zinc/31/40/88/1153314088.db2.gz GPDVTAVNXAXCIL-ROUUACIJSA-N 1 3 324.509 2.239 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCC(F)(F)F ZINC001382161500 1153383056 /nfs/dbraw/zinc/38/30/56/1153383056.db2.gz DKAIPPOUGXIUTA-CHWSQXEVSA-N 1 3 323.403 2.250 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)[C@@H]1C ZINC001382299329 1153416124 /nfs/dbraw/zinc/41/61/24/1153416124.db2.gz AARZGNKETVSWIM-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO COC(=O)N1CCC([NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)CC1 ZINC001363586335 1153473428 /nfs/dbraw/zinc/47/34/28/1153473428.db2.gz YRWCAKATJDWOBF-LSDHHAIUSA-N 1 3 323.481 2.460 20 0 DEADHO C[N@@H+]1C[C@@H](NC(=O)c2ccc(NC3=NCCC3)cc2)C(C)(C)C1 ZINC001363619722 1153495163 /nfs/dbraw/zinc/49/51/63/1153495163.db2.gz QTWNPKZFSNMRLL-OAHLLOKOSA-N 1 3 314.433 2.361 20 0 DEADHO C[N@H+]1C[C@@H](NC(=O)c2ccc(NC3=NCCC3)cc2)C(C)(C)C1 ZINC001363619722 1153495168 /nfs/dbraw/zinc/49/51/68/1153495168.db2.gz QTWNPKZFSNMRLL-OAHLLOKOSA-N 1 3 314.433 2.361 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001363716798 1153575102 /nfs/dbraw/zinc/57/51/02/1153575102.db2.gz KVXHGSAUPHVFPO-JKSUJKDBSA-N 1 3 309.498 2.440 20 0 DEADHO CN1CC[C@]2(C1)CCC[N@H+](C[C@@H]1COC3(CCCCC3)O1)C2 ZINC001363795034 1153633985 /nfs/dbraw/zinc/63/39/85/1153633985.db2.gz YNJBMZSKGMAUPD-SJORKVTESA-N 1 3 308.466 2.480 20 0 DEADHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@@H]1COC3(CCCCC3)O1)C2 ZINC001363795034 1153633987 /nfs/dbraw/zinc/63/39/87/1153633987.db2.gz YNJBMZSKGMAUPD-SJORKVTESA-N 1 3 308.466 2.480 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CC12CC[NH+](CC1CCCC1)CC2)N(C)C ZINC001389518682 1155359810 /nfs/dbraw/zinc/35/98/10/1155359810.db2.gz BZRMWFVNZVGJKL-IAGOWNOFSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001390004446 1155496395 /nfs/dbraw/zinc/49/63/95/1155496395.db2.gz GWENEWFZUNDDAO-HDICACEKSA-N 1 3 317.477 2.382 20 0 DEADHO C[C@H](F)CC[N@@H+]1CCC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001390034753 1155504589 /nfs/dbraw/zinc/50/45/89/1155504589.db2.gz HUPUKQYHUTUYNU-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H](F)CC[N@H+]1CCC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001390034753 1155504600 /nfs/dbraw/zinc/50/46/00/1155504600.db2.gz HUPUKQYHUTUYNU-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)C[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C ZINC001371041574 1155666456 /nfs/dbraw/zinc/66/64/56/1155666456.db2.gz ILKMSKUVRWVSKQ-DFBDCSAJSA-N 1 3 323.525 2.301 20 0 DEADHO CC(C)C[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C ZINC001371041574 1155666457 /nfs/dbraw/zinc/66/64/57/1155666457.db2.gz ILKMSKUVRWVSKQ-DFBDCSAJSA-N 1 3 323.525 2.301 20 0 DEADHO Cc1cccc([C@@H](C)[N@H+](C)CCNC(=O)CN2CC[C@H](C)C2)c1 ZINC001390813765 1155880013 /nfs/dbraw/zinc/88/00/13/1155880013.db2.gz BVRRKRUDFAFMGP-DLBZAZTESA-N 1 3 317.477 2.446 20 0 DEADHO Cc1cccc([C@@H](C)[N@@H+](C)CCNC(=O)CN2CC[C@H](C)C2)c1 ZINC001390813765 1155880017 /nfs/dbraw/zinc/88/00/17/1155880017.db2.gz BVRRKRUDFAFMGP-DLBZAZTESA-N 1 3 317.477 2.446 20 0 DEADHO CC[N@H+](CCNC(=O)CN(C)C1CCC1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001390911454 1155953449 /nfs/dbraw/zinc/95/34/49/1155953449.db2.gz UKIQBSMGBUOZDP-ZACQAIPSSA-N 1 3 321.509 2.345 20 0 DEADHO CC[N@@H+](CCNC(=O)CN(C)C1CCC1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001390911454 1155953517 /nfs/dbraw/zinc/95/35/17/1155953517.db2.gz UKIQBSMGBUOZDP-ZACQAIPSSA-N 1 3 321.509 2.345 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN(Cc2ccccc2F)C1 ZINC001391114150 1156126100 /nfs/dbraw/zinc/12/61/00/1156126100.db2.gz QYQZYLBVURCFSO-HNNXBMFYSA-N 1 3 321.440 2.106 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN(Cc2ccccc2F)C1 ZINC001391114150 1156126105 /nfs/dbraw/zinc/12/61/05/1156126105.db2.gz QYQZYLBVURCFSO-HNNXBMFYSA-N 1 3 321.440 2.106 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001391896589 1156827256 /nfs/dbraw/zinc/82/72/56/1156827256.db2.gz HNEMAEJRBFGNEE-WMZOPIPTSA-N 1 3 319.493 2.423 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N(C)Cc1ccc(C)c(F)c1 ZINC001403197940 1162816178 /nfs/dbraw/zinc/81/61/78/1162816178.db2.gz UHRCYJXQNYVWNZ-OAHLLOKOSA-N 1 3 323.456 2.412 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N(C)Cc1ccc(C)c(F)c1 ZINC001403197940 1162816179 /nfs/dbraw/zinc/81/61/79/1162816179.db2.gz UHRCYJXQNYVWNZ-OAHLLOKOSA-N 1 3 323.456 2.412 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[N@H+](C)C/C=C\c1ccccc1 ZINC001403231593 1162823922 /nfs/dbraw/zinc/82/39/22/1162823922.db2.gz SNOYCKNOEQGBNE-GKUQOKNUSA-N 1 3 317.477 2.477 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[N@@H+](C)C/C=C\c1ccccc1 ZINC001403231593 1162823924 /nfs/dbraw/zinc/82/39/24/1162823924.db2.gz SNOYCKNOEQGBNE-GKUQOKNUSA-N 1 3 317.477 2.477 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C ZINC001392592159 1157177958 /nfs/dbraw/zinc/17/79/58/1157177958.db2.gz CXFPOUAGFMOGOC-GUYCJALGSA-N 1 3 316.449 2.102 20 0 DEADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1cccc(F)c1 ZINC001373761130 1157346061 /nfs/dbraw/zinc/34/60/61/1157346061.db2.gz WLCRAECAIYEZJK-INIZCTEOSA-N 1 3 321.440 2.294 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]CC1CC(C)(C)C1)N(C)C ZINC001403424016 1162878848 /nfs/dbraw/zinc/87/88/48/1162878848.db2.gz YBBUUQKZDCTQRF-HOCLYGCPSA-N 1 3 311.514 2.493 20 0 DEADHO Cc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001374234474 1157751639 /nfs/dbraw/zinc/75/16/39/1157751639.db2.gz RWQVLHIFLILLGK-INIZCTEOSA-N 1 3 317.477 2.416 20 0 DEADHO CC(C)[C@H](CNC(=O)[C@H]1CCCN1C(C)C)[NH2+]C/C=C\Cl ZINC001374418476 1157848411 /nfs/dbraw/zinc/84/84/11/1157848411.db2.gz GKLRRCPTMBVSRF-NEFCLYRVSA-N 1 3 315.889 2.342 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCC(C)C)C1 ZINC001374561176 1157903530 /nfs/dbraw/zinc/90/35/30/1157903530.db2.gz HZGYUHJTICDFNY-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCC(C)C)C1 ZINC001374561176 1157903547 /nfs/dbraw/zinc/90/35/47/1157903547.db2.gz HZGYUHJTICDFNY-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001374849778 1158055619 /nfs/dbraw/zinc/05/56/19/1158055619.db2.gz PIYGLYBLQFLHIR-HUUCEWRRSA-N 1 3 321.465 2.191 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N(C)Cc1cccc(F)c1 ZINC001394128953 1158321196 /nfs/dbraw/zinc/32/11/96/1158321196.db2.gz NFIRHHZFSLFDGE-CQSZACIVSA-N 1 3 309.429 2.104 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N(C)Cc1cccc(F)c1 ZINC001394128953 1158321205 /nfs/dbraw/zinc/32/12/05/1158321205.db2.gz NFIRHHZFSLFDGE-CQSZACIVSA-N 1 3 309.429 2.104 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1C)N(C)C ZINC001375134438 1158343313 /nfs/dbraw/zinc/34/33/13/1158343313.db2.gz HHMLVHIQBCVLTH-DOTOQJQBSA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1C)N(C)C ZINC001375134438 1158343320 /nfs/dbraw/zinc/34/33/20/1158343320.db2.gz HHMLVHIQBCVLTH-DOTOQJQBSA-N 1 3 305.466 2.272 20 0 DEADHO C[C@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]CC1CC2(CCC2)C1 ZINC001394528244 1158612894 /nfs/dbraw/zinc/61/28/94/1158612894.db2.gz LPJZISLGHGHBKP-HZPDHXFCSA-N 1 3 321.509 2.345 20 0 DEADHO COC(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)cc1C ZINC001414118743 1158809993 /nfs/dbraw/zinc/80/99/93/1158809993.db2.gz LHSWAAKGTFBZFY-DJIMGWMZSA-N 1 3 302.418 2.211 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C1CC[NH+](CC[C@H](C)F)CC1 ZINC001394847151 1158811639 /nfs/dbraw/zinc/81/16/39/1158811639.db2.gz JWBXWDIBJPUVBP-QWHCGFSZSA-N 1 3 324.444 2.225 20 0 DEADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)[C@H]1CC ZINC001375611401 1158828342 /nfs/dbraw/zinc/82/83/42/1158828342.db2.gz CVMHCUJTTVMMLR-GVDBMIGSSA-N 1 3 309.498 2.486 20 0 DEADHO CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)[C@H]1CC ZINC001375611401 1158828343 /nfs/dbraw/zinc/82/83/43/1158828343.db2.gz CVMHCUJTTVMMLR-GVDBMIGSSA-N 1 3 309.498 2.486 20 0 DEADHO CCCN(C)CC(=O)N1CCCCC[C@H]([NH2+]C[C@H](F)CC)C1 ZINC001375653763 1158839194 /nfs/dbraw/zinc/83/91/94/1158839194.db2.gz WACYVLYOBIGDEA-CVEARBPZSA-N 1 3 315.477 2.437 20 0 DEADHO CC1CC(C[NH2+][C@H]2C[C@@H](NC(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001376479686 1159463066 /nfs/dbraw/zinc/46/30/66/1159463066.db2.gz RHRIJKQBADVNGU-STONLHKKSA-N 1 3 309.498 2.247 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001376912394 1159843860 /nfs/dbraw/zinc/84/38/60/1159843860.db2.gz LHMJMQAQIYBKKF-GOSISDBHSA-N 1 3 317.477 2.498 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001376912394 1159843862 /nfs/dbraw/zinc/84/38/62/1159843862.db2.gz LHMJMQAQIYBKKF-GOSISDBHSA-N 1 3 317.477 2.498 20 0 DEADHO C[C@@H](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CC1CC1 ZINC001377070236 1159890762 /nfs/dbraw/zinc/89/07/62/1159890762.db2.gz VSRZIDUNNJAKGI-SUMWQHHRSA-N 1 3 313.461 2.093 20 0 DEADHO CN(C)C1(C(=O)NCC[N@H+](C)CCCc2ccsc2)CCC1 ZINC001377169601 1160007422 /nfs/dbraw/zinc/00/74/22/1160007422.db2.gz CJMRGXVXQJULSP-UHFFFAOYSA-N 1 3 323.506 2.213 20 0 DEADHO CN(C)C1(C(=O)NCC[N@@H+](C)CCCc2ccsc2)CCC1 ZINC001377169601 1160007432 /nfs/dbraw/zinc/00/74/32/1160007432.db2.gz CJMRGXVXQJULSP-UHFFFAOYSA-N 1 3 323.506 2.213 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[N@H+](C)CC2CCC(C)CC2)C1 ZINC001377225033 1160053941 /nfs/dbraw/zinc/05/39/41/1160053941.db2.gz SGEYNNKUYNEEOG-AQFXKWCLSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[N@@H+](C)CC2CCC(C)CC2)C1 ZINC001377225033 1160053954 /nfs/dbraw/zinc/05/39/54/1160053954.db2.gz SGEYNNKUYNEEOG-AQFXKWCLSA-N 1 3 309.498 2.203 20 0 DEADHO CC[N@H+](CCNC(=O)Cc1nc[nH]c1C)CC1CC(C)(C)C1 ZINC001377365066 1160273694 /nfs/dbraw/zinc/27/36/94/1160273694.db2.gz ZFSKNVLUQLWHSF-UHFFFAOYSA-N 1 3 306.454 2.135 20 0 DEADHO CC[N@@H+](CCNC(=O)Cc1nc[nH]c1C)CC1CC(C)(C)C1 ZINC001377365066 1160273720 /nfs/dbraw/zinc/27/37/20/1160273720.db2.gz ZFSKNVLUQLWHSF-UHFFFAOYSA-N 1 3 306.454 2.135 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001397608717 1160360277 /nfs/dbraw/zinc/36/02/77/1160360277.db2.gz PCCJVUPOOSXCFP-HDICACEKSA-N 1 3 317.477 2.321 20 0 DEADHO CC[C@H](C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001397808330 1160534799 /nfs/dbraw/zinc/53/47/99/1160534799.db2.gz CNIRPKCOPPTBPY-HOCLYGCPSA-N 1 3 306.454 2.311 20 0 DEADHO CC[C@H](C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001397808330 1160534801 /nfs/dbraw/zinc/53/48/01/1160534801.db2.gz CNIRPKCOPPTBPY-HOCLYGCPSA-N 1 3 306.454 2.311 20 0 DEADHO Cc1ccccc1CN1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001398229192 1160827819 /nfs/dbraw/zinc/82/78/19/1160827819.db2.gz HKYGIGDRTZIZGJ-KRWDZBQOSA-N 1 3 303.450 2.027 20 0 DEADHO CC[C@@H](C)C[NH+]1CC(CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001377968111 1160886071 /nfs/dbraw/zinc/88/60/71/1160886071.db2.gz FMCANILZNBHONW-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO CC1CC(CN2C[C@H]3CC[C@@H](C2)N3C(=O)CCC[NH+](C)C)C1 ZINC001398482594 1160912888 /nfs/dbraw/zinc/91/28/88/1160912888.db2.gz UJBLQUKPDOZTOL-UCUFBTAOSA-N 1 3 307.482 2.050 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCc2cc(C)ccc2F)C1 ZINC001398528556 1160949771 /nfs/dbraw/zinc/94/97/71/1160949771.db2.gz AQSYHECNZIEVQX-INIZCTEOSA-N 1 3 321.440 2.166 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2cc(C)ccc2F)C1 ZINC001398528556 1160949779 /nfs/dbraw/zinc/94/97/79/1160949779.db2.gz AQSYHECNZIEVQX-INIZCTEOSA-N 1 3 321.440 2.166 20 0 DEADHO C[C@@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001398668287 1161044213 /nfs/dbraw/zinc/04/42/13/1161044213.db2.gz QAVQUDTZGHVOIA-XYPHTWIQSA-N 1 3 321.440 2.347 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CNC(=O)CN2CC[C@H](C)C2)cc1F ZINC001399023110 1161193568 /nfs/dbraw/zinc/19/35/68/1161193568.db2.gz KPGXLSFMNUDFDJ-DZGCQCFKSA-N 1 3 321.440 2.070 20 0 DEADHO CC1CC(C[N@H+](C)CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001399654862 1161505981 /nfs/dbraw/zinc/50/59/81/1161505981.db2.gz LPUNPAAAQRCPNJ-UHFFFAOYSA-N 1 3 317.477 2.456 20 0 DEADHO CC1CC(C[N@@H+](C)CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001399654862 1161505982 /nfs/dbraw/zinc/50/59/82/1161505982.db2.gz LPUNPAAAQRCPNJ-UHFFFAOYSA-N 1 3 317.477 2.456 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](CC)CC[C@@H](C)F ZINC001399823736 1161578639 /nfs/dbraw/zinc/57/86/39/1161578639.db2.gz NUJVMQLJWZPHGI-HUUCEWRRSA-N 1 3 301.450 2.047 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](CC)CC[C@@H](C)F ZINC001399823736 1161578645 /nfs/dbraw/zinc/57/86/45/1161578645.db2.gz NUJVMQLJWZPHGI-HUUCEWRRSA-N 1 3 301.450 2.047 20 0 DEADHO Cc1ccc(C[N@@H+](CCNC(=O)[C@H]2CCCN2C)C2CC2)cc1 ZINC001400014193 1161633362 /nfs/dbraw/zinc/63/33/62/1161633362.db2.gz IYICNHBNDDBMSS-GOSISDBHSA-N 1 3 315.461 2.170 20 0 DEADHO Cc1ccc(C[N@H+](CCNC(=O)[C@H]2CCCN2C)C2CC2)cc1 ZINC001400014193 1161633363 /nfs/dbraw/zinc/63/33/63/1161633363.db2.gz IYICNHBNDDBMSS-GOSISDBHSA-N 1 3 315.461 2.170 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[N@H+](CC1CC(C)(C)C1)C1CC1 ZINC001400049029 1161641637 /nfs/dbraw/zinc/64/16/37/1161641637.db2.gz NQOFKOVPEOZGQQ-UHFFFAOYSA-N 1 3 318.465 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[N@@H+](CC1CC(C)(C)C1)C1CC1 ZINC001400049029 1161641639 /nfs/dbraw/zinc/64/16/39/1161641639.db2.gz NQOFKOVPEOZGQQ-UHFFFAOYSA-N 1 3 318.465 2.277 20 0 DEADHO CC(C)[C@H](C(=O)N(C)CC[NH2+][C@@H]1CCc2ccccc21)N(C)C ZINC001400068951 1161645671 /nfs/dbraw/zinc/64/56/71/1161645671.db2.gz AUNCMKCJXMSZGQ-QZTJIDSGSA-N 1 3 317.477 2.308 20 0 DEADHO CC(C)CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001400583481 1161776502 /nfs/dbraw/zinc/77/65/02/1161776502.db2.gz UMMHTSBPVBZTBY-XSLAGTTESA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001400583481 1161776504 /nfs/dbraw/zinc/77/65/04/1161776504.db2.gz UMMHTSBPVBZTBY-XSLAGTTESA-N 1 3 321.509 2.438 20 0 DEADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(C)cc1 ZINC001400808125 1161825567 /nfs/dbraw/zinc/82/55/67/1161825567.db2.gz CYOUWXUMHXNVRC-QGZVFWFLSA-N 1 3 317.477 2.464 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncs2)CC1 ZINC001401053064 1161864565 /nfs/dbraw/zinc/86/45/65/1161864565.db2.gz PTDMSVHGPIJWCQ-HDJSIYSDSA-N 1 3 324.494 2.002 20 0 DEADHO Cc1ccc(F)c(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001401205818 1161893651 /nfs/dbraw/zinc/89/36/51/1161893651.db2.gz UOEAMWPIUFTYJB-PBHICJAKSA-N 1 3 321.440 2.165 20 0 DEADHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001401250012 1161905321 /nfs/dbraw/zinc/90/53/21/1161905321.db2.gz CTTNWVBBCKNOOO-RHSMWYFYSA-N 1 3 323.456 2.433 20 0 DEADHO Cc1ccc(CN(C)CCN(C)C(=O)C2CC[NH+](C)CC2)cc1 ZINC001401383470 1161964932 /nfs/dbraw/zinc/96/49/32/1161964932.db2.gz CFDYMUPSOJCESH-UHFFFAOYSA-N 1 3 317.477 2.227 20 0 DEADHO C[NH+](C)CCCC(=O)N1CC[C@@H]2[C@H](CCN2C/C=C\Cl)C1 ZINC001401492948 1162020316 /nfs/dbraw/zinc/02/03/16/1162020316.db2.gz NJFXJKOCZJXXFJ-JFCGUDLGSA-N 1 3 313.873 2.004 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001401607534 1162044232 /nfs/dbraw/zinc/04/42/32/1162044232.db2.gz JCKHWLTYXXIDTM-IAGOWNOFSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2CCCC(C)(C)C)CC[N@@H+]1C ZINC001401898225 1162171586 /nfs/dbraw/zinc/17/15/86/1162171586.db2.gz YMOAHNSBFYCSQR-BZUAXINKSA-N 1 3 309.498 2.343 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1CCC[N@H+](CCC(C)C)C1 ZINC001402084922 1162241007 /nfs/dbraw/zinc/24/10/07/1162241007.db2.gz VVXRKRVLQMORSQ-HOTGVXAUSA-N 1 3 315.477 2.293 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1CCC[N@@H+](CCC(C)C)C1 ZINC001402084922 1162241011 /nfs/dbraw/zinc/24/10/11/1162241011.db2.gz VVXRKRVLQMORSQ-HOTGVXAUSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]21 ZINC001403785141 1163182583 /nfs/dbraw/zinc/18/25/83/1163182583.db2.gz NTPNCLDUEMNLFM-GVDBMIGSSA-N 1 3 309.498 2.199 20 0 DEADHO CCC[NH+]1CCC(C2(NC(=O)CN3CC[C@H](C)C3)CC2)CC1 ZINC001404022517 1163382378 /nfs/dbraw/zinc/38/23/78/1163382378.db2.gz VZUHYXPBQPNUCG-HNNXBMFYSA-N 1 3 307.482 2.099 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@H](C)[NH2+]CCC2CC2)CC1 ZINC001404407461 1163619050 /nfs/dbraw/zinc/61/90/50/1163619050.db2.gz PXSAOFMYWOLOSL-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)c1ccccc1CN1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001404909995 1163855958 /nfs/dbraw/zinc/85/59/58/1163855958.db2.gz UWSSEPDYZCMASD-UHFFFAOYSA-N 1 3 317.477 2.310 20 0 DEADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccc(C)nc1C ZINC001405370033 1164065600 /nfs/dbraw/zinc/06/56/00/1164065600.db2.gz MNYRHKUILAQCBY-KRWDZBQOSA-N 1 3 320.481 2.023 20 0 DEADHO C[C@H](C(=O)NCC1([NH2+]CCF)CCCC1)N1CCCCCC1 ZINC001405775423 1164233685 /nfs/dbraw/zinc/23/36/85/1164233685.db2.gz NGKHJACPKONDOC-OAHLLOKOSA-N 1 3 313.461 2.239 20 0 DEADHO C[C@@H](C[NH2+]Cc1ccsc1)N(C)C(=O)CN1CCC(C)CC1 ZINC001405865715 1164300459 /nfs/dbraw/zinc/30/04/59/1164300459.db2.gz DYEHXLDSBWHKET-HNNXBMFYSA-N 1 3 323.506 2.417 20 0 DEADHO CC(C)[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccc(F)cc1 ZINC001406080107 1164429848 /nfs/dbraw/zinc/42/98/48/1164429848.db2.gz OWEJBZGIDGOWOH-QGZVFWFLSA-N 1 3 323.456 2.396 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1c(C)cccc1C)N(C)C ZINC001406532966 1164660905 /nfs/dbraw/zinc/66/09/05/1164660905.db2.gz ZUINWAJBODSSEG-RDJZCZTQSA-N 1 3 305.466 2.238 20 0 DEADHO C[C@@H](CN(C)[C@@H]1CCc2c1cccc2F)NC(=O)CC[NH+](C)C ZINC001406653886 1164766094 /nfs/dbraw/zinc/76/60/94/1164766094.db2.gz MBJQFYQRDYMLCT-SUMWQHHRSA-N 1 3 321.440 2.201 20 0 DEADHO C[NH+](C)CC1(C(=O)NC[C@H]2CCN2CC2CCC2)CCCCC1 ZINC001406854989 1164854871 /nfs/dbraw/zinc/85/48/71/1164854871.db2.gz OIXVBEOSKAGTET-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001407513675 1165177622 /nfs/dbraw/zinc/17/76/22/1165177622.db2.gz AYRWUBPGOMVRCI-SJORKVTESA-N 1 3 309.498 2.201 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]CC1CCC1 ZINC001407532580 1165186474 /nfs/dbraw/zinc/18/64/74/1165186474.db2.gz GWFOKAALUQCASM-DOTOQJQBSA-N 1 3 323.525 2.449 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001408107091 1165480336 /nfs/dbraw/zinc/48/03/36/1165480336.db2.gz TYYNJYISBRKKGA-WBVHZDCISA-N 1 3 321.509 2.345 20 0 DEADHO CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001417819329 1167234037 /nfs/dbraw/zinc/23/40/37/1167234037.db2.gz MGCDIBKVQQRAKW-IAGOWNOFSA-N 1 3 321.440 2.071 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2)C1)N(C)C ZINC001418099700 1167409537 /nfs/dbraw/zinc/40/95/37/1167409537.db2.gz ZIXRPWMSLMWRRH-NCOFVZRBSA-N 1 3 315.461 2.277 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C)N1CCCCC1 ZINC001418161364 1167451385 /nfs/dbraw/zinc/45/13/85/1167451385.db2.gz MFVIIMHFSZWLCM-OWCLPIDISA-N 1 3 309.498 2.342 20 0 DEADHO C[C@H](c1cccc(F)c1)N(C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001418497269 1167720588 /nfs/dbraw/zinc/72/05/88/1167720588.db2.gz YKWNINPRJFQWOI-HUUCEWRRSA-N 1 3 321.440 2.277 20 0 DEADHO C[C@H](c1cccc(F)c1)N(C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001418497269 1167720598 /nfs/dbraw/zinc/72/05/98/1167720598.db2.gz YKWNINPRJFQWOI-HUUCEWRRSA-N 1 3 321.440 2.277 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC[N@H+](C)CC1CCCCC1 ZINC001418528023 1167771367 /nfs/dbraw/zinc/77/13/67/1167771367.db2.gz RNYNXLHODMVWOC-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC[N@@H+](C)CC1CCCCC1 ZINC001418528023 1167771386 /nfs/dbraw/zinc/77/13/86/1167771386.db2.gz RNYNXLHODMVWOC-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(C)c2)C1)N(C)C ZINC001418659467 1167869607 /nfs/dbraw/zinc/86/96/07/1167869607.db2.gz OEVLNEHVDZFVTJ-KSZLIROESA-N 1 3 317.477 2.320 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CCN(C/C=C/Cl)C1)[NH+](CC)CC ZINC001418676034 1167878171 /nfs/dbraw/zinc/87/81/71/1167878171.db2.gz WCAUZEKFBMXKSC-LPXAQJHASA-N 1 3 315.889 2.297 20 0 DEADHO CC[C@H](C)C[N@H+](C)C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001418935084 1168077932 /nfs/dbraw/zinc/07/79/32/1168077932.db2.gz XVACBAFNZGERFV-JKSUJKDBSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C)C[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001418935084 1168077937 /nfs/dbraw/zinc/07/79/37/1168077937.db2.gz XVACBAFNZGERFV-JKSUJKDBSA-N 1 3 309.498 2.297 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]([NH2+]CCC1CCCC1)C1CC1 ZINC001419300959 1168385557 /nfs/dbraw/zinc/38/55/57/1168385557.db2.gz CYYOGNUATAMJDS-KRWDZBQOSA-N 1 3 318.465 2.325 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccccc1F)N(C)C ZINC001420124008 1169178574 /nfs/dbraw/zinc/17/85/74/1169178574.db2.gz GFXGNXVOPPDIEN-RHSMWYFYSA-N 1 3 323.456 2.396 20 0 DEADHO CN(CC(=O)NCC[N@H+](C)CC1CC2(CCC2)C1)C1CCC1 ZINC001420244587 1169276267 /nfs/dbraw/zinc/27/62/67/1169276267.db2.gz QDEKGZNHMNSOOK-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001420350725 1169389884 /nfs/dbraw/zinc/38/98/84/1169389884.db2.gz TYZSEUCHQBCUTH-UHFFFAOYSA-N 1 3 317.477 2.419 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCc2ccc(F)cc21)N(C)C ZINC001420433378 1169543253 /nfs/dbraw/zinc/54/32/53/1169543253.db2.gz MMWDJUSRXKKYPB-JCURWCKSSA-N 1 3 321.440 2.248 20 0 DEADHO C[C@@H](C[NH2+]Cc1cccc(Cl)c1)NC(=O)CN1CC[C@@H](C)C1 ZINC001420473569 1169620108 /nfs/dbraw/zinc/62/01/08/1169620108.db2.gz YJNVDJZHQSGLDB-KGLIPLIRSA-N 1 3 323.868 2.276 20 0 DEADHO CC(C)C[NH2+]C[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C1CC1 ZINC001420767782 1171129709 /nfs/dbraw/zinc/12/97/09/1171129709.db2.gz FKSNYSJFHNZNRV-DOTOQJQBSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H](C(=O)N[C@H](C[NH2+]CC1CC1)C1CC1)N1CCCCCC1 ZINC001420775584 1171143238 /nfs/dbraw/zinc/14/32/38/1171143238.db2.gz XYFGLZDGKIGFHM-RHSMWYFYSA-N 1 3 307.482 2.145 20 0 DEADHO CN(CC(=O)N1CCC(C[N@@H+](C)CCF)CC1)CC(C)(C)C ZINC001420956309 1171379005 /nfs/dbraw/zinc/37/90/05/1171379005.db2.gz YKQMPNLWRCWLCY-UHFFFAOYSA-N 1 3 315.477 2.104 20 0 DEADHO CN(CC(=O)N1CCC(C[N@H+](C)CCF)CC1)CC(C)(C)C ZINC001420956309 1171378998 /nfs/dbraw/zinc/37/89/98/1171378998.db2.gz YKQMPNLWRCWLCY-UHFFFAOYSA-N 1 3 315.477 2.104 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@](C)(C[NH2+]CC2CCCC2)C1 ZINC001421272364 1171658373 /nfs/dbraw/zinc/65/83/73/1171658373.db2.gz UMXVCJKIOOCLPL-GOSISDBHSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC=C(Cl)Cl ZINC001421471602 1171813552 /nfs/dbraw/zinc/81/35/52/1171813552.db2.gz RMVJXGCYWLKRJU-VXGBXAGGSA-N 1 3 322.280 2.132 20 0 DEADHO CC[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC=C(Cl)Cl ZINC001421471602 1171813553 /nfs/dbraw/zinc/81/35/53/1171813553.db2.gz RMVJXGCYWLKRJU-VXGBXAGGSA-N 1 3 322.280 2.132 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCC1)N(C)C ZINC001421746275 1171958899 /nfs/dbraw/zinc/95/88/99/1171958899.db2.gz CCZDAJLASIDOAX-OAHLLOKOSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)C[NH2+]C[C@@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001421769943 1171981769 /nfs/dbraw/zinc/98/17/69/1171981769.db2.gz XSJIUZXNNMADHV-OAHLLOKOSA-N 1 3 305.466 2.360 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@H+](CCC(F)(F)F)CC1 ZINC001421834264 1172030217 /nfs/dbraw/zinc/03/02/17/1172030217.db2.gz LTYIORGOEGXGPX-ZDUSSCGKSA-N 1 3 323.403 2.250 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@@H+](CCC(F)(F)F)CC1 ZINC001421834264 1172030220 /nfs/dbraw/zinc/03/02/20/1172030220.db2.gz LTYIORGOEGXGPX-ZDUSSCGKSA-N 1 3 323.403 2.250 20 0 DEADHO CC[N@H+](CCCF)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001422197871 1172386421 /nfs/dbraw/zinc/38/64/21/1172386421.db2.gz ULEHTUDVADUGKD-MRXNPFEDSA-N 1 3 313.461 2.001 20 0 DEADHO CC[N@@H+](CCCF)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001422197871 1172386430 /nfs/dbraw/zinc/38/64/30/1172386430.db2.gz ULEHTUDVADUGKD-MRXNPFEDSA-N 1 3 313.461 2.001 20 0 DEADHO CC[N@H+](CCF)CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001422210074 1172395017 /nfs/dbraw/zinc/39/50/17/1172395017.db2.gz LJSVCBJLHXXCBN-MRXNPFEDSA-N 1 3 315.477 2.103 20 0 DEADHO CC[N@@H+](CCF)CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001422210074 1172395021 /nfs/dbraw/zinc/39/50/21/1172395021.db2.gz LJSVCBJLHXXCBN-MRXNPFEDSA-N 1 3 315.477 2.103 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001422316942 1172485475 /nfs/dbraw/zinc/48/54/75/1172485475.db2.gz DOEURLDWOCIKEF-HZPDHXFCSA-N 1 3 317.477 2.462 20 0 DEADHO C[C@H](NC(=O)C(C)(C)N1CCCC1)C1C[NH+](CCC2CC2)C1 ZINC001422734394 1172834762 /nfs/dbraw/zinc/83/47/62/1172834762.db2.gz FJQPVEMSSGEYSX-AWEZNQCLSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C1C[NH+](CC2CC3(CCC3)C2)C1 ZINC001422762609 1172846936 /nfs/dbraw/zinc/84/69/36/1172846936.db2.gz XZSQTESUJMYMRZ-OAHLLOKOSA-N 1 3 321.509 2.343 20 0 DEADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCc1ccsc1 ZINC001423123739 1173094975 /nfs/dbraw/zinc/09/49/75/1173094975.db2.gz NTKYSHJGFHXVLJ-YCPHGPKFSA-N 1 3 323.506 2.415 20 0 DEADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCc1ccsc1 ZINC001423123739 1173094979 /nfs/dbraw/zinc/09/49/79/1173094979.db2.gz NTKYSHJGFHXVLJ-YCPHGPKFSA-N 1 3 323.506 2.415 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2cc(C)sc2C)CC1)N(C)C ZINC001423292498 1173211366 /nfs/dbraw/zinc/21/13/66/1173211366.db2.gz KMXDPOZJAHKMCW-HNNXBMFYSA-N 1 3 323.506 2.444 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CN(C)C(C)C)C2)cc1 ZINC001423343597 1173269461 /nfs/dbraw/zinc/26/94/61/1173269461.db2.gz FICFUPOZHJPJJW-WMZOPIPTSA-N 1 3 317.477 2.414 20 0 DEADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]Cc2ccsc2)C1 ZINC001423683921 1173488291 /nfs/dbraw/zinc/48/82/91/1173488291.db2.gz WELVLTZDJATVGC-UHFFFAOYSA-N 1 3 309.479 2.169 20 0 DEADHO CN(C)C1(C(=O)NC[C@]2(C)CCC[N@H+](CCCF)C2)CCC1 ZINC001423688141 1173492085 /nfs/dbraw/zinc/49/20/85/1173492085.db2.gz PJCNJNKKXQEHFF-INIZCTEOSA-N 1 3 313.461 2.049 20 0 DEADHO CN(C)C1(C(=O)NC[C@]2(C)CCC[N@@H+](CCCF)C2)CCC1 ZINC001423688141 1173492087 /nfs/dbraw/zinc/49/20/87/1173492087.db2.gz PJCNJNKKXQEHFF-INIZCTEOSA-N 1 3 313.461 2.049 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccccc2)C1 ZINC001423947561 1173587597 /nfs/dbraw/zinc/58/75/97/1173587597.db2.gz KCQFBKZAZWWAFN-FUHWJXTLSA-N 1 3 317.477 2.213 20 0 DEADHO CCCN1Cc2ccccc2C[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001424382934 1173777631 /nfs/dbraw/zinc/77/76/31/1173777631.db2.gz QPMWFXDLDDUGGW-GOSISDBHSA-N 1 3 317.477 2.281 20 0 DEADHO CCCN1Cc2ccccc2C[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001424382934 1173777635 /nfs/dbraw/zinc/77/76/35/1173777635.db2.gz QPMWFXDLDDUGGW-GOSISDBHSA-N 1 3 317.477 2.281 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC(CC)([NH2+]CCF)CC1 ZINC001424389793 1173779316 /nfs/dbraw/zinc/77/93/16/1173779316.db2.gz DKFAHZOXBXPEEW-OAHLLOKOSA-N 1 3 313.461 2.191 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC001424675857 1173863841 /nfs/dbraw/zinc/86/38/41/1173863841.db2.gz BHTDXCFKLQDRNP-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)Cc1ccc(Cl)cc1 ZINC001425066408 1174160798 /nfs/dbraw/zinc/16/07/98/1174160798.db2.gz HDVWFFBGQJHJSO-HIFRSBDPSA-N 1 3 323.868 2.228 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)Cc1ccc(Cl)cc1 ZINC001425066408 1174160804 /nfs/dbraw/zinc/16/08/04/1174160804.db2.gz HDVWFFBGQJHJSO-HIFRSBDPSA-N 1 3 323.868 2.228 20 0 DEADHO CC(C)[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001425366808 1174294669 /nfs/dbraw/zinc/29/46/69/1174294669.db2.gz GLFHXRVELWNESM-HRCADAONSA-N 1 3 307.482 2.096 20 0 DEADHO CC(C)[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001425366808 1174294676 /nfs/dbraw/zinc/29/46/76/1174294676.db2.gz GLFHXRVELWNESM-HRCADAONSA-N 1 3 307.482 2.096 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001425398693 1174307168 /nfs/dbraw/zinc/30/71/68/1174307168.db2.gz BUHPRISNKJTJRS-DJIMGWMZSA-N 1 3 321.440 2.150 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001425598940 1174392529 /nfs/dbraw/zinc/39/25/29/1174392529.db2.gz UJWPFTNFOYTAGJ-PBHICJAKSA-N 1 3 323.456 2.348 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C1CC[NH+](C[C@H](F)CC)CC1 ZINC001426175009 1174630075 /nfs/dbraw/zinc/63/00/75/1174630075.db2.gz BHKOCQXXXOELTH-GDBMZVCRSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)C1CC[NH+](CC2CC2)CC1)N(C)C ZINC001426181085 1174634023 /nfs/dbraw/zinc/63/40/23/1174634023.db2.gz ZOEORQBALMCKAX-PBHICJAKSA-N 1 3 309.498 2.199 20 0 DEADHO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)CN1[C@H](C)CC[C@H]1C ZINC001434223205 1178335660 /nfs/dbraw/zinc/33/56/60/1178335660.db2.gz UTGHNMIJFQQHCO-VQHPVUNQSA-N 1 3 309.498 2.438 20 0 DEADHO Cc1ncccc1CNCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001434509273 1178717614 /nfs/dbraw/zinc/71/76/14/1178717614.db2.gz OQRKNDHGKGVGFU-IBGZPJMESA-N 1 3 311.429 2.246 20 0 DEADHO Cc1ncccc1CNCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001434509273 1178717627 /nfs/dbraw/zinc/71/76/27/1178717627.db2.gz OQRKNDHGKGVGFU-IBGZPJMESA-N 1 3 311.429 2.246 20 0 DEADHO CN(C)C1(C(=O)NCC[N@H+](C)[C@@H]2CCc3ccccc32)CCC1 ZINC001437473827 1179816723 /nfs/dbraw/zinc/81/67/23/1179816723.db2.gz YGRAQGBDPCBOOJ-QGZVFWFLSA-N 1 3 315.461 2.206 20 0 DEADHO CN(C)C1(C(=O)NCC[N@@H+](C)[C@@H]2CCc3ccccc32)CCC1 ZINC001437473827 1179816724 /nfs/dbraw/zinc/81/67/24/1179816724.db2.gz YGRAQGBDPCBOOJ-QGZVFWFLSA-N 1 3 315.461 2.206 20 0 DEADHO COc1cccc([C@@H](C)[N@H+](C)CCNC(=O)CN(C)C(C)C)c1 ZINC001437570747 1179849515 /nfs/dbraw/zinc/84/95/15/1179849515.db2.gz RMZPSNLPLOLJTJ-OAHLLOKOSA-N 1 3 321.465 2.144 20 0 DEADHO COc1cccc([C@@H](C)[N@@H+](C)CCNC(=O)CN(C)C(C)C)c1 ZINC001437570747 1179849517 /nfs/dbraw/zinc/84/95/17/1179849517.db2.gz RMZPSNLPLOLJTJ-OAHLLOKOSA-N 1 3 321.465 2.144 20 0 DEADHO C[N@H+](CCCC1CCC1)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001437987254 1180136209 /nfs/dbraw/zinc/13/62/09/1180136209.db2.gz IYFAREFAHJHEDJ-SFHVURJKSA-N 1 3 321.509 2.443 20 0 DEADHO C[N@@H+](CCCC1CCC1)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001437987254 1180136218 /nfs/dbraw/zinc/13/62/18/1180136218.db2.gz IYFAREFAHJHEDJ-SFHVURJKSA-N 1 3 321.509 2.443 20 0 DEADHO CC(C)N(C)CC(=O)NCC1C[NH+](CCCc2ccccc2)C1 ZINC001438154828 1180218224 /nfs/dbraw/zinc/21/82/24/1180218224.db2.gz AHWVITFJMGTWOB-UHFFFAOYSA-N 1 3 317.477 2.007 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1C[NH+](CCCC2CCC2)C1 ZINC001438157516 1180219840 /nfs/dbraw/zinc/21/98/40/1180219840.db2.gz JQHQOGXFZOCJJC-HZPDHXFCSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CC[NH+]1CC2(C1)CCN(C(=O)CN(C)C(C)C)CC2 ZINC001438620467 1180678547 /nfs/dbraw/zinc/67/85/47/1180678547.db2.gz GGKFWOZZFYLZMS-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)CN(C)C2CCC2)cc1C ZINC001439119946 1180888897 /nfs/dbraw/zinc/88/88/97/1180888897.db2.gz LTGARZPTONCMEP-MRXNPFEDSA-N 1 3 317.477 2.382 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]C[C@H]1CCCC(F)(F)C1)N(C)C ZINC001439251318 1180967178 /nfs/dbraw/zinc/96/71/78/1180967178.db2.gz FXKPHGRMNTZMRC-IHRRRGAJSA-N 1 3 319.440 2.246 20 0 DEADHO CN(CC(=O)N[C@@H](C[NH2+]Cc1ccsc1)C1CC1)C1CCC1 ZINC001439451316 1181093167 /nfs/dbraw/zinc/09/31/67/1181093167.db2.gz AVSZLFOBGNYEMZ-INIZCTEOSA-N 1 3 321.490 2.217 20 0 DEADHO C[NH+](C)CCCC(=O)N1CCC[C@@H]1CNCc1ccccc1F ZINC001439786314 1181234655 /nfs/dbraw/zinc/23/46/55/1181234655.db2.gz ZFCOYNVDFLOQRV-MRXNPFEDSA-N 1 3 321.440 2.248 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C/C=C\Cl)C2 ZINC001440112863 1181353768 /nfs/dbraw/zinc/35/37/68/1181353768.db2.gz QWMPROQFSONPDF-AJTWTAPCSA-N 1 3 313.873 2.050 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C/C=C\Cl)C2 ZINC001440112863 1181353775 /nfs/dbraw/zinc/35/37/75/1181353775.db2.gz QWMPROQFSONPDF-AJTWTAPCSA-N 1 3 313.873 2.050 20 0 DEADHO C[C@H]([NH2+]C/C=C/Cl)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001440116200 1181356295 /nfs/dbraw/zinc/35/62/95/1181356295.db2.gz NWLWNVTYXLXIQB-DBMMHUENSA-N 1 3 313.873 2.050 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001440361629 1181466038 /nfs/dbraw/zinc/46/60/38/1181466038.db2.gz IFFHYIXNGYMKRM-JCNLHEQBSA-N 1 3 321.509 2.391 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1CCCCC[C@H](NCCF)C1 ZINC001440463281 1181533541 /nfs/dbraw/zinc/53/35/41/1181533541.db2.gz FNZIBPNDXWIBMR-HNNXBMFYSA-N 1 3 301.450 2.049 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1CCCCC[C@H](NCCF)C1 ZINC001440463281 1181533547 /nfs/dbraw/zinc/53/35/47/1181533547.db2.gz FNZIBPNDXWIBMR-HNNXBMFYSA-N 1 3 301.450 2.049 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)NCC=C(Cl)Cl ZINC001440826488 1181716310 /nfs/dbraw/zinc/71/63/10/1181716310.db2.gz BVWDJYSGLOWIBZ-GHMZBOCLSA-N 1 3 310.269 2.130 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H](C)NCC=C(Cl)Cl ZINC001440826488 1181716316 /nfs/dbraw/zinc/71/63/16/1181716316.db2.gz BVWDJYSGLOWIBZ-GHMZBOCLSA-N 1 3 310.269 2.130 20 0 DEADHO C[C@@H]([NH2+]CCF)[C@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001440989706 1181815204 /nfs/dbraw/zinc/81/52/04/1181815204.db2.gz IIPSJGVJTXMGLW-HUUCEWRRSA-N 1 3 315.477 2.293 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]([NH2+]CCC2CCCC2)C2CC2)C1 ZINC001441221916 1181901076 /nfs/dbraw/zinc/90/10/76/1181901076.db2.gz HCKUURIDOUSROT-QAPCUYQASA-N 1 3 321.509 2.393 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CC(C)C)C1CC1 ZINC001441431764 1181991396 /nfs/dbraw/zinc/99/13/96/1181991396.db2.gz JRACILGFUHRQMH-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](F)CN[C@@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001441536376 1182047432 /nfs/dbraw/zinc/04/74/32/1182047432.db2.gz ILHHWFQAMLRQEF-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC001441621266 1182094803 /nfs/dbraw/zinc/09/48/03/1182094803.db2.gz SBIJCJVXIXWQGN-SFHVURJKSA-N 1 3 317.477 2.357 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001442070884 1182307288 /nfs/dbraw/zinc/30/72/88/1182307288.db2.gz WNSJLBOKEPRMEJ-ZDUSSCGKSA-N 1 3 319.440 2.246 20 0 DEADHO C[NH+](C)CCCC(=O)N1CC[C@H](CNC/C(Cl)=C\Cl)C1 ZINC001442142281 1182343403 /nfs/dbraw/zinc/34/34/03/1182343403.db2.gz LUKNXWBXOZPVAV-FMNNIJNLSA-N 1 3 322.280 2.085 20 0 DEADHO C[NH+](C)CCCC(=O)N1CC[C@@H](CNC/C(Cl)=C\Cl)C1 ZINC001442142287 1182343974 /nfs/dbraw/zinc/34/39/74/1182343974.db2.gz LUKNXWBXOZPVAV-OXBCTQFSSA-N 1 3 322.280 2.085 20 0 DEADHO C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H](NC/C(Cl)=C\Cl)C1 ZINC001442181142 1182356385 /nfs/dbraw/zinc/35/63/85/1182356385.db2.gz CCWKEMMAMHKROA-MTYQHRKZSA-N 1 3 322.280 2.274 20 0 DEADHO CC(C)CC[N@H+](C)[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001442216845 1182373093 /nfs/dbraw/zinc/37/30/93/1182373093.db2.gz PWBVIYUKRGEPAW-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001442216845 1182373099 /nfs/dbraw/zinc/37/30/99/1182373099.db2.gz PWBVIYUKRGEPAW-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001442333121 1182423658 /nfs/dbraw/zinc/42/36/58/1182423658.db2.gz VPSUXLPGXGNDQX-OCCSQVGLSA-N 1 3 319.440 2.102 20 0 DEADHO C[C@H]([NH2+]CCN(C)C(=O)CN1CC[C@H](C)C1)c1ccc(F)cc1 ZINC001443081718 1182843675 /nfs/dbraw/zinc/84/36/75/1182843675.db2.gz RZDBVNLQFPOMAI-GJZGRUSLSA-N 1 3 321.440 2.277 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[NH2+][C@@H]1CCc2ccccc21 ZINC001443094703 1182846319 /nfs/dbraw/zinc/84/63/19/1182846319.db2.gz CPLJCLLQXSOARN-QGZVFWFLSA-N 1 3 303.450 2.062 20 0 DEADHO CC(C)CN1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001446120204 1184234690 /nfs/dbraw/zinc/23/46/90/1184234690.db2.gz DSHWFDBVPPPPNZ-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[NH+]1CCC(C)(NC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001446478598 1184365077 /nfs/dbraw/zinc/36/50/77/1184365077.db2.gz RHJSIVINTDTAMA-HOTGVXAUSA-N 1 3 309.498 2.486 20 0 DEADHO CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001446663531 1184479584 /nfs/dbraw/zinc/47/95/84/1184479584.db2.gz FJNKOLHJSRRIRA-FUHWJXTLSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001446663531 1184479596 /nfs/dbraw/zinc/47/95/96/1184479596.db2.gz FJNKOLHJSRRIRA-FUHWJXTLSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccccc2)C1 ZINC001446935579 1184582779 /nfs/dbraw/zinc/58/27/79/1184582779.db2.gz BMFALEFONDIXLV-AEFFLSMTSA-N 1 3 317.477 2.355 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCC(C)(C)C)CC1 ZINC001447540113 1184804331 /nfs/dbraw/zinc/80/43/31/1184804331.db2.gz NCTLLPHBLIRANM-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC(C)(C)C[NH2+]CC1CC(C)C1 ZINC001447987326 1185000726 /nfs/dbraw/zinc/00/07/26/1185000726.db2.gz GHRHSTBJAAAERH-UHFFFAOYSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)CCC[NH+]1CC(CNC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001404934833 1163864639 /nfs/dbraw/zinc/86/46/39/1163864639.db2.gz VGISBPRCYXXCBE-IYBDPMFKSA-N 1 3 309.498 2.343 20 0 DEADHO CN(C)Cc1ccnc(N2C[C@@H]3[NH2+]Cc4ccccc4[C@@H]3C2)c1 ZINC001164423995 718946459 /nfs/dbraw/zinc/94/64/59/718946459.db2.gz LLQHTXLUZHZDBX-ROUUACIJSA-N 1 3 308.429 2.219 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001072952907 790323576 /nfs/dbraw/zinc/32/35/76/790323576.db2.gz DALCQVXICOZEEC-HZPDHXFCSA-N 1 3 309.498 2.153 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001072952907 790323588 /nfs/dbraw/zinc/32/35/88/790323588.db2.gz DALCQVXICOZEEC-HZPDHXFCSA-N 1 3 309.498 2.153 20 0 DEADHO CCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249855 782574063 /nfs/dbraw/zinc/57/40/63/782574063.db2.gz STCNZJFYYKAZGN-OIISXLGYSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001106336143 782659799 /nfs/dbraw/zinc/65/97/99/782659799.db2.gz DUGXTJFFRGTGME-BZUAXINKSA-N 1 3 311.514 2.447 20 0 DEADHO CCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001106633559 782819685 /nfs/dbraw/zinc/81/96/85/782819685.db2.gz MPYHCVBBVFOOAL-BRWVUGGUSA-N 1 3 311.514 2.447 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCC(C)(C)C)[C@H](C)C1)N(C)C ZINC001106673832 782843709 /nfs/dbraw/zinc/84/37/09/782843709.db2.gz NLXRJSJIZPBISK-OAGGEKHMSA-N 1 3 311.514 2.447 20 0 DEADHO CCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001106672541 782845140 /nfs/dbraw/zinc/84/51/40/782845140.db2.gz CBSSKSWWBAOTIJ-HZPDHXFCSA-N 1 3 311.514 2.449 20 0 DEADHO CC1CC(C[N@@H+]2CCC3(CN(C(=O)CN4CCC[C@@H]4C)C3)C2)C1 ZINC001072979899 790352271 /nfs/dbraw/zinc/35/22/71/790352271.db2.gz PUOROQAKDUZQOT-CGZBRXJRSA-N 1 3 319.493 2.051 20 0 DEADHO CC1CC(C[N@H+]2CCC3(CN(C(=O)CN4CCC[C@@H]4C)C3)C2)C1 ZINC001072979899 790352284 /nfs/dbraw/zinc/35/22/84/790352284.db2.gz PUOROQAKDUZQOT-CGZBRXJRSA-N 1 3 319.493 2.051 20 0 DEADHO C[N@@H+]1CCC[C@H](CN2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)C1 ZINC001208606068 776598007 /nfs/dbraw/zinc/59/80/07/776598007.db2.gz DQWZFFHWTWAFPX-ARFHVFGLSA-N 1 3 323.481 2.269 20 0 DEADHO C[N@H+]1CCC[C@H](CN2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)C1 ZINC001208606068 776598013 /nfs/dbraw/zinc/59/80/13/776598013.db2.gz DQWZFFHWTWAFPX-ARFHVFGLSA-N 1 3 323.481 2.269 20 0 DEADHO CCN(CC)CC(=O)NCCC1(C[NH2+]CC2CCCC2)CC1 ZINC001167480918 777151361 /nfs/dbraw/zinc/15/13/61/777151361.db2.gz XBBYCSYXAPDDSQ-UHFFFAOYSA-N 1 3 309.498 2.395 20 0 DEADHO CCN(CC)CC(=O)NCCC1(C[NH2+]CCC(F)(F)F)CC1 ZINC001167480425 777151660 /nfs/dbraw/zinc/15/16/60/777151660.db2.gz FAXSMEWMAFAIQB-UHFFFAOYSA-N 1 3 323.403 2.157 20 0 DEADHO CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1C ZINC001105067114 778322400 /nfs/dbraw/zinc/32/24/00/778322400.db2.gz NDAWNBAVLKHNEV-ZACQAIPSSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001075784948 779232226 /nfs/dbraw/zinc/23/22/26/779232226.db2.gz MAMUNPWKFSQBTD-RCCFBDPRSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001075784948 779232228 /nfs/dbraw/zinc/23/22/28/779232228.db2.gz MAMUNPWKFSQBTD-RCCFBDPRSA-N 1 3 321.509 2.438 20 0 DEADHO C[C@H]1CC(NCCOCCO)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168006560 779275833 /nfs/dbraw/zinc/27/58/33/779275833.db2.gz NPKJOBVQDKPRTQ-HOTGVXAUSA-N 1 3 306.450 2.027 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CCN1C/C=C\Cl ZINC001087626316 779383591 /nfs/dbraw/zinc/38/35/91/779383591.db2.gz ULFUGLYXABAVNS-POLRQFNISA-N 1 3 313.873 2.192 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CCN1C/C=C\Cl ZINC001087626316 779383592 /nfs/dbraw/zinc/38/35/92/779383592.db2.gz ULFUGLYXABAVNS-POLRQFNISA-N 1 3 313.873 2.192 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@@H+]1CC(C)C ZINC001087639585 779393928 /nfs/dbraw/zinc/39/39/28/779393928.db2.gz FVXBLFXOMIIWKX-JKSUJKDBSA-N 1 3 307.482 2.240 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@H+]1CC(C)C ZINC001087639585 779393932 /nfs/dbraw/zinc/39/39/32/779393932.db2.gz FVXBLFXOMIIWKX-JKSUJKDBSA-N 1 3 307.482 2.240 20 0 DEADHO CC[C@H](C(=O)N1CCCCC[C@H]([NH2+]CCC2CC2)C1)N(C)C ZINC001088334719 779984269 /nfs/dbraw/zinc/98/42/69/779984269.db2.gz OAMSWHSNOPVWJO-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCCCC[C@H]([NH2+]CCC3CC3)C2)C1 ZINC001088381930 780050822 /nfs/dbraw/zinc/05/08/22/780050822.db2.gz QBRPBCIGCURDQI-WMZOPIPTSA-N 1 3 321.509 2.489 20 0 DEADHO CC1(Nc2cccc3cc([C@@H]4CNCCO4)cn32)CC[NH2+]CC1 ZINC001168188445 780419456 /nfs/dbraw/zinc/41/94/56/780419456.db2.gz WLJCQCSSWVBKAY-INIZCTEOSA-N 1 3 314.433 2.154 20 0 DEADHO O[C@@H](C[NH2+]C1CCN(CC2CC2)CC1)c1ccc(F)c(F)c1 ZINC001168360291 780963027 /nfs/dbraw/zinc/96/30/27/780963027.db2.gz MVXXVJWWLDKODV-KRWDZBQOSA-N 1 3 310.388 2.462 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)[C@H]1C ZINC001088769101 780969007 /nfs/dbraw/zinc/96/90/07/780969007.db2.gz RDJUQNLWYJHAHS-NJAFHUGGSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)[C@H]1C ZINC001088769101 780969010 /nfs/dbraw/zinc/96/90/10/780969010.db2.gz RDJUQNLWYJHAHS-NJAFHUGGSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)=CCN1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001088768815 780969313 /nfs/dbraw/zinc/96/93/13/780969313.db2.gz FKPDCEHYBUFEAB-NJAFHUGGSA-N 1 3 319.493 2.406 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCC[NH2+]CCC1=CCCCC1 ZINC001127078773 781723760 /nfs/dbraw/zinc/72/37/60/781723760.db2.gz RQEPTLZLCCQEDP-KRWDZBQOSA-N 1 3 307.482 2.456 20 0 DEADHO CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001089821516 783480714 /nfs/dbraw/zinc/48/07/14/783480714.db2.gz UTTRGESENKPQMY-RANZSIQMSA-N 1 3 319.493 2.050 20 0 DEADHO CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001089821516 783480717 /nfs/dbraw/zinc/48/07/17/783480717.db2.gz UTTRGESENKPQMY-RANZSIQMSA-N 1 3 319.493 2.050 20 0 DEADHO C[C@@H]1CC[N@H+](CCC2CC2)C[C@@H]1NC(=O)C12CCCN1CCC2 ZINC000967212116 783907688 /nfs/dbraw/zinc/90/76/88/783907688.db2.gz ZSDLZXAZKCLXJG-WBVHZDCISA-N 1 3 319.493 2.242 20 0 DEADHO C[C@@H]1CC[N@@H+](CCC2CC2)C[C@@H]1NC(=O)C12CCCN1CCC2 ZINC000967212116 783907692 /nfs/dbraw/zinc/90/76/92/783907692.db2.gz ZSDLZXAZKCLXJG-WBVHZDCISA-N 1 3 319.493 2.242 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CCCN2CCC3)C1 ZINC000967211188 783907790 /nfs/dbraw/zinc/90/77/90/783907790.db2.gz XKPYURNBTLQDIP-CVEARBPZSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CCCN2CCC3)C1 ZINC000967211188 783907793 /nfs/dbraw/zinc/90/77/93/783907793.db2.gz XKPYURNBTLQDIP-CVEARBPZSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001007327316 784890247 /nfs/dbraw/zinc/89/02/47/784890247.db2.gz NGMHMRSKAUNUGT-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001007327316 784890251 /nfs/dbraw/zinc/89/02/51/784890251.db2.gz NGMHMRSKAUNUGT-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO [NH3+][C@H]1CCc2nn(-c3cc(CN4CCCCC4)ccn3)cc2C1 ZINC001168807128 784924011 /nfs/dbraw/zinc/92/40/11/784924011.db2.gz DTCTZKOJWSXMSQ-INIZCTEOSA-N 1 3 311.433 2.069 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001007457136 784924342 /nfs/dbraw/zinc/92/43/42/784924342.db2.gz IQGXOCGBKRBPSD-IRXDYDNUSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001007457136 784924351 /nfs/dbraw/zinc/92/43/51/784924351.db2.gz IQGXOCGBKRBPSD-IRXDYDNUSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169081717 785035567 /nfs/dbraw/zinc/03/55/67/785035567.db2.gz VIBCMWPIYDTIBP-QMHWVQJVSA-N 1 3 323.481 2.457 20 0 DEADHO C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169081717 785035575 /nfs/dbraw/zinc/03/55/75/785035575.db2.gz VIBCMWPIYDTIBP-QMHWVQJVSA-N 1 3 323.481 2.457 20 0 DEADHO C[C@@H]1C[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3C)CC[C@@]1(O)C(F)(F)F ZINC001169124891 785048139 /nfs/dbraw/zinc/04/81/39/785048139.db2.gz GIFAJZASRIZLRR-DGTMBMJNSA-N 1 3 306.372 2.247 20 0 DEADHO C[C@@H]1C[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3C)CC[C@@]1(O)C(F)(F)F ZINC001169124891 785048150 /nfs/dbraw/zinc/04/81/50/785048150.db2.gz GIFAJZASRIZLRR-DGTMBMJNSA-N 1 3 306.372 2.247 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1CCN(C(=O)C3CCCCC3)C1)C2 ZINC001169108577 785057405 /nfs/dbraw/zinc/05/74/05/785057405.db2.gz BUTRWVBNSJPSGR-XLAORIBOSA-N 1 3 319.493 2.382 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1CCN(C(=O)C3CCCCC3)C1)C2 ZINC001169108577 785057409 /nfs/dbraw/zinc/05/74/09/785057409.db2.gz BUTRWVBNSJPSGR-XLAORIBOSA-N 1 3 319.493 2.382 20 0 DEADHO COC(=O)[C@H]1C[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3C)Cc2ccccc21 ZINC001169155770 785070998 /nfs/dbraw/zinc/07/09/98/785070998.db2.gz UNRITMXWXVOJHC-LHHMISFZSA-N 1 3 314.429 2.384 20 0 DEADHO COC(=O)[C@H]1C[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3C)Cc2ccccc21 ZINC001169155770 785071009 /nfs/dbraw/zinc/07/10/09/785071009.db2.gz UNRITMXWXVOJHC-LHHMISFZSA-N 1 3 314.429 2.384 20 0 DEADHO CCN(CC)C(=O)C[C@H](C)N1CCN(c2cc[nH+]cc2C)CC1 ZINC001169490449 785225409 /nfs/dbraw/zinc/22/54/09/785225409.db2.gz SCYGBHHLWVLWAV-INIZCTEOSA-N 1 3 318.465 2.159 20 0 DEADHO CN(C)C1(C(=O)NCC[NH2+]CCc2ccccc2Cl)CCC1 ZINC001129356137 785491267 /nfs/dbraw/zinc/49/12/67/785491267.db2.gz CAXIRNVQHUSIAO-UHFFFAOYSA-N 1 3 323.868 2.073 20 0 DEADHO CC/C=C/CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001108768766 785527816 /nfs/dbraw/zinc/52/78/16/785527816.db2.gz GCEDAYVUBMYPOX-OZZMQFRTSA-N 1 3 316.449 2.278 20 0 DEADHO C[C@H](CCCC[NH2+]CC1CCC1)NC(=O)[C@@H](C1CC1)N(C)C ZINC001171246038 791119344 /nfs/dbraw/zinc/11/93/44/791119344.db2.gz DJFDSRVKUVDWRQ-RHSMWYFYSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC1)N(CC)CC ZINC001109714693 785995046 /nfs/dbraw/zinc/99/50/46/785995046.db2.gz SRBSQKQEAFZJTQ-QZWWFDLISA-N 1 3 307.482 2.238 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC1)N(CC)CC ZINC001109714693 785995052 /nfs/dbraw/zinc/99/50/52/785995052.db2.gz SRBSQKQEAFZJTQ-QZWWFDLISA-N 1 3 307.482 2.238 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CCC2)C1 ZINC001112585652 786164579 /nfs/dbraw/zinc/16/45/79/786164579.db2.gz KFPSHWALWCQHSL-HKUYNNGSSA-N 1 3 321.509 2.345 20 0 DEADHO Cc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCCN3C)C2)cs1 ZINC001014966839 786832095 /nfs/dbraw/zinc/83/20/95/786832095.db2.gz ZEWBGLSCZHKIJU-CVEARBPZSA-N 1 3 321.490 2.231 20 0 DEADHO Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCCN3C)C2)cs1 ZINC001014966839 786832106 /nfs/dbraw/zinc/83/21/06/786832106.db2.gz ZEWBGLSCZHKIJU-CVEARBPZSA-N 1 3 321.490 2.231 20 0 DEADHO Cc1cc(CN2CC[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)cs1 ZINC001014966839 786832111 /nfs/dbraw/zinc/83/21/11/786832111.db2.gz ZEWBGLSCZHKIJU-CVEARBPZSA-N 1 3 321.490 2.231 20 0 DEADHO Cc1cc(CN2CC[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cs1 ZINC001014966839 786832121 /nfs/dbraw/zinc/83/21/21/786832121.db2.gz ZEWBGLSCZHKIJU-CVEARBPZSA-N 1 3 321.490 2.231 20 0 DEADHO CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001015392780 787030480 /nfs/dbraw/zinc/03/04/80/787030480.db2.gz QCXJPBJTLFTFDA-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001015392780 787030493 /nfs/dbraw/zinc/03/04/93/787030493.db2.gz QCXJPBJTLFTFDA-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001015607831 787137276 /nfs/dbraw/zinc/13/72/76/787137276.db2.gz MYQGNFBWFLOQCD-RYQLBKOJSA-N 1 3 319.493 2.408 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(CC3=CCCCC3)C2)CC[N@H+]1C ZINC001015607831 787137279 /nfs/dbraw/zinc/13/72/79/787137279.db2.gz MYQGNFBWFLOQCD-RYQLBKOJSA-N 1 3 319.493 2.408 20 0 DEADHO C[C@@H]([NH2+]CCNC(=O)[C@H](C1CC1)N(C)C)c1ccc(Cl)cc1 ZINC001129454242 787213425 /nfs/dbraw/zinc/21/34/25/787213425.db2.gz IALCADXODKTFTD-WBMJQRKESA-N 1 3 323.868 2.447 20 0 DEADHO CN(C)[C@H](C(=O)NCC[NH2+]CC/C=C/c1ccccc1)C1CC1 ZINC001129443629 787214790 /nfs/dbraw/zinc/21/47/90/787214790.db2.gz LIPWTCOUAQRVCD-OPUMOTSWSA-N 1 3 315.461 2.136 20 0 DEADHO CC[C@@H]([NH2+]CCNC(=O)CN(C)C1CCC1)c1ccccc1 ZINC001129535082 787225424 /nfs/dbraw/zinc/22/54/24/787225424.db2.gz IVYQAFYFZUCXAU-QGZVFWFLSA-N 1 3 303.450 2.328 20 0 DEADHO CCc1ccccc1C[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C ZINC001129947308 787264409 /nfs/dbraw/zinc/26/44/09/787264409.db2.gz UGANHMQNYZPNAX-KRWDZBQOSA-N 1 3 305.466 2.041 20 0 DEADHO Cc1cc(CNCCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)cs1 ZINC001130189747 787309684 /nfs/dbraw/zinc/30/96/84/787309684.db2.gz RQKTXSOCKGJCAB-HZPDHXFCSA-N 1 3 321.490 2.279 20 0 DEADHO Cc1cc(CNCCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)cs1 ZINC001130189747 787309695 /nfs/dbraw/zinc/30/96/95/787309695.db2.gz RQKTXSOCKGJCAB-HZPDHXFCSA-N 1 3 321.490 2.279 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+][C@H](C)c1cccc(Cl)c1)N(C)C ZINC001130198170 787313163 /nfs/dbraw/zinc/31/31/63/787313163.db2.gz YKRDDBQXZXHHEL-IUODEOHRSA-N 1 3 311.857 2.447 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+][C@@H]1CCCc2ccccc21)N(C)C ZINC001130205768 787316581 /nfs/dbraw/zinc/31/65/81/787316581.db2.gz VVTGWBJRGPASLQ-IAGOWNOFSA-N 1 3 303.450 2.110 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]Cc1ccc(C)cc1C ZINC001130427639 787389009 /nfs/dbraw/zinc/38/90/09/787389009.db2.gz PTFDWONPVALBJV-UHFFFAOYSA-N 1 3 305.466 2.240 20 0 DEADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001097079542 787970070 /nfs/dbraw/zinc/97/00/70/787970070.db2.gz LFYODMARFSSYBF-TVFCKZIOSA-N 1 3 317.477 2.016 20 0 DEADHO CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCN1CC(C)C)C2 ZINC001097406370 788098496 /nfs/dbraw/zinc/09/84/96/788098496.db2.gz XTFAHMONUWADMQ-WCXIOVBPSA-N 1 3 307.482 2.238 20 0 DEADHO CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCN1CC(C)C)C2 ZINC001097406370 788098503 /nfs/dbraw/zinc/09/85/03/788098503.db2.gz XTFAHMONUWADMQ-WCXIOVBPSA-N 1 3 307.482 2.238 20 0 DEADHO CC(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)N1CCCC1)C2 ZINC001097580587 788139790 /nfs/dbraw/zinc/13/97/90/788139790.db2.gz GHLNTPMDQYOTDP-BDXSIMOUSA-N 1 3 319.493 2.238 20 0 DEADHO CC(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)N1CCCC1)C2 ZINC001097580587 788139796 /nfs/dbraw/zinc/13/97/96/788139796.db2.gz GHLNTPMDQYOTDP-BDXSIMOUSA-N 1 3 319.493 2.238 20 0 DEADHO CC[C@@H](F)CNCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132791208 788194539 /nfs/dbraw/zinc/19/45/39/788194539.db2.gz UXLCWWYULCTDEW-GDBMZVCRSA-N 1 3 313.461 2.237 20 0 DEADHO CC[C@@H](F)CNCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001132791208 788194544 /nfs/dbraw/zinc/19/45/44/788194544.db2.gz UXLCWWYULCTDEW-GDBMZVCRSA-N 1 3 313.461 2.237 20 0 DEADHO CC[C@@H](F)CNCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132791211 788194822 /nfs/dbraw/zinc/19/48/22/788194822.db2.gz UXLCWWYULCTDEW-ZBFHGGJFSA-N 1 3 313.461 2.237 20 0 DEADHO CC[C@@H](F)CNCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001132791211 788194825 /nfs/dbraw/zinc/19/48/25/788194825.db2.gz UXLCWWYULCTDEW-ZBFHGGJFSA-N 1 3 313.461 2.237 20 0 DEADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001097779551 788220461 /nfs/dbraw/zinc/22/04/61/788220461.db2.gz QQMSYSYKFMFHHK-ZACQAIPSSA-N 1 3 305.466 2.016 20 0 DEADHO C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C[NH2+]CC1CC1 ZINC001133120774 788286362 /nfs/dbraw/zinc/28/63/62/788286362.db2.gz ASVRWMVFHIDAFC-RDJZCZTQSA-N 1 3 323.525 2.449 20 0 DEADHO C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]CCF ZINC001133123101 788289283 /nfs/dbraw/zinc/28/92/83/788289283.db2.gz YRFLAVPCDOHPSZ-HUUCEWRRSA-N 1 3 315.477 2.008 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]Cc3ccccc3)C2)C1 ZINC001000191541 788336245 /nfs/dbraw/zinc/33/62/45/788336245.db2.gz JTMSNDXFJJOHGF-AEFFLSMTSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001133845679 788638776 /nfs/dbraw/zinc/63/87/76/788638776.db2.gz LNZQYMJSASLIFN-OAHLLOKOSA-N 1 3 315.461 2.112 20 0 DEADHO CCC(CC)C[NH2+]CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001133856228 788641281 /nfs/dbraw/zinc/64/12/81/788641281.db2.gz BDKSYSJMQSJRGJ-QGZVFWFLSA-N 1 3 315.477 2.341 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+][C@H](C)c1ccc(Cl)cc1)N(C)C ZINC001133968318 788696905 /nfs/dbraw/zinc/69/69/05/788696905.db2.gz VGUFCEYBHZSDEC-DOMZBBRYSA-N 1 3 311.857 2.447 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+]Cc1ccc(F)c(Cl)c1)N(C)C ZINC001133983009 788705667 /nfs/dbraw/zinc/70/56/67/788705667.db2.gz UMSHOAIWLWNDHP-AWEZNQCLSA-N 1 3 315.820 2.025 20 0 DEADHO C[C@H](C[C@H](C)[NH2+]Cc1cncs1)NC(=O)C1(N(C)C)CCC1 ZINC001134583430 788989063 /nfs/dbraw/zinc/98/90/63/788989063.db2.gz KIAWWTBGHYRUKI-QWHCGFSZSA-N 1 3 324.494 2.000 20 0 DEADHO N[C@H](CC1CC1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000397491241 790191556 /nfs/dbraw/zinc/19/15/56/790191556.db2.gz JKKOPPWSHJQJBS-GOSISDBHSA-N 1 3 315.461 2.142 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CC3CC(C)(C)C3)[C@@H]2C)C1 ZINC001074878245 791363963 /nfs/dbraw/zinc/36/39/63/791363963.db2.gz IXZNIPQJCQWYQR-ZOBUZTSGSA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)[C@@H]1C)N(C)C ZINC001074885621 791368730 /nfs/dbraw/zinc/36/87/30/791368730.db2.gz OOYGRJLJNROYBP-BPUTZDHNSA-N 1 3 309.498 2.342 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CC2CCC(C)CC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001074918411 791386625 /nfs/dbraw/zinc/38/66/25/791386625.db2.gz NYBNTUFSVSGPMU-INTUILBWSA-N 1 3 318.465 2.358 20 0 DEADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C)c1ccccc1 ZINC001075108843 791465951 /nfs/dbraw/zinc/46/59/51/791465951.db2.gz RCPXPVFHIFWGIF-RYRKJORJSA-N 1 3 315.461 2.422 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCNC[C@@H](F)CC ZINC001147357936 791516367 /nfs/dbraw/zinc/51/63/67/791516367.db2.gz ABXWUKNXJGVLHS-GJZGRUSLSA-N 1 3 301.450 2.095 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1C(=O)NCCNC[C@@H](F)CC ZINC001147357936 791516378 /nfs/dbraw/zinc/51/63/78/791516378.db2.gz ABXWUKNXJGVLHS-GJZGRUSLSA-N 1 3 301.450 2.095 20 0 DEADHO CC/C=C\CC[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001147773757 791612440 /nfs/dbraw/zinc/61/24/40/791612440.db2.gz MLOSQZUVLZRBRH-XITLMJRVSA-N 1 3 307.482 2.217 20 0 DEADHO CC/C=C\CC[N@H+]1CCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001147773757 791612443 /nfs/dbraw/zinc/61/24/43/791612443.db2.gz MLOSQZUVLZRBRH-XITLMJRVSA-N 1 3 307.482 2.217 20 0 DEADHO CCC[N@H+](C)CCC(=O)NCCN[C@@H](C)c1cccc(F)c1 ZINC001148578511 791776769 /nfs/dbraw/zinc/77/67/69/791776769.db2.gz VQJHTHIBFZJFEU-AWEZNQCLSA-N 1 3 309.429 2.324 20 0 DEADHO CCC[N@@H+](C)CCC(=O)NCCN[C@@H](C)c1cccc(F)c1 ZINC001148578511 791776770 /nfs/dbraw/zinc/77/67/70/791776770.db2.gz VQJHTHIBFZJFEU-AWEZNQCLSA-N 1 3 309.429 2.324 20 0 DEADHO CCCCCC[N@@H+]1CCC2(CN(C(=O)CN(C)CCC)C2)C1 ZINC001148652166 791780958 /nfs/dbraw/zinc/78/09/58/791780958.db2.gz YABJBKSGIUNAHM-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CCCCCC[N@H+]1CCC2(CN(C(=O)CN(C)CCC)C2)C1 ZINC001148652166 791780960 /nfs/dbraw/zinc/78/09/60/791780960.db2.gz YABJBKSGIUNAHM-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001148656087 791782438 /nfs/dbraw/zinc/78/24/38/791782438.db2.gz UWXBPTMQVISMFK-CYBMUJFWSA-N 1 3 311.857 2.449 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001148638125 791785588 /nfs/dbraw/zinc/78/55/88/791785588.db2.gz DHZWAPKJAGCING-UHFFFAOYSA-N 1 3 315.820 2.027 20 0 DEADHO CCCCCC[N@@H+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001148844504 791810646 /nfs/dbraw/zinc/81/06/46/791810646.db2.gz OTUUTCDBEYJEMA-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CCCCCC[N@H+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001148844504 791810652 /nfs/dbraw/zinc/81/06/52/791810652.db2.gz OTUUTCDBEYJEMA-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CC[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001086942559 791857678 /nfs/dbraw/zinc/85/76/78/791857678.db2.gz VIZJIKANPMFKOL-HOTGVXAUSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H](N)C(=O)NCC1([N@H+](C)Cc2ccccc2)CCCCC1 ZINC000714224896 792303602 /nfs/dbraw/zinc/30/36/02/792303602.db2.gz NEBXBPNAWOKALQ-OAHLLOKOSA-N 1 3 303.450 2.285 20 0 DEADHO C[C@@H](N)C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCCCC1 ZINC000714224896 792303614 /nfs/dbraw/zinc/30/36/14/792303614.db2.gz NEBXBPNAWOKALQ-OAHLLOKOSA-N 1 3 303.450 2.285 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccsc2)[C@H](C)C1)N(C)C ZINC001093859118 792624329 /nfs/dbraw/zinc/62/43/29/792624329.db2.gz PIEDECPBHAGYFZ-FVQBIDKESA-N 1 3 323.506 2.272 20 0 DEADHO CC[C@@H](C(=O)NCC1CC([NH2+]CCC2CCCC2)C1)N(C)C ZINC001100685849 792789038 /nfs/dbraw/zinc/78/90/38/792789038.db2.gz VCCNEXJKOONXEY-JCYILVPMSA-N 1 3 309.498 2.391 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC2CC([NH2+]CCCF)C2)c1 ZINC001101024835 792969734 /nfs/dbraw/zinc/96/97/34/792969734.db2.gz INIKKKUQTKCIAH-UHFFFAOYSA-N 1 3 321.440 2.206 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@]2(C)C1 ZINC001101365908 793134229 /nfs/dbraw/zinc/13/42/29/793134229.db2.gz PCTKLSLLGVSFQY-KLGXIJNFSA-N 1 3 321.509 2.463 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@]2(C)C1 ZINC001101365908 793134233 /nfs/dbraw/zinc/13/42/33/793134233.db2.gz PCTKLSLLGVSFQY-KLGXIJNFSA-N 1 3 321.509 2.463 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]C/C=C\c1ccccc1 ZINC001171756906 793196076 /nfs/dbraw/zinc/19/60/76/793196076.db2.gz AZJCLVDESBHABK-XFFZJAGNSA-N 1 3 303.450 2.138 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1cc(C)ccc1F ZINC001171763346 793199409 /nfs/dbraw/zinc/19/94/09/793199409.db2.gz ZKXDOWCOKGRHQV-UHFFFAOYSA-N 1 3 309.429 2.072 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]CCc1ccc(CC)cc1 ZINC001171770606 793202535 /nfs/dbraw/zinc/20/25/35/793202535.db2.gz UQAOIABCRKOOCW-UHFFFAOYSA-N 1 3 319.493 2.229 20 0 DEADHO CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001101522334 793204754 /nfs/dbraw/zinc/20/47/54/793204754.db2.gz WIYXQHQERUERMO-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO N[C@@H]1CCC[N@@H+]([C@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001171869612 793237120 /nfs/dbraw/zinc/23/71/20/793237120.db2.gz MWNDCWUTXGIKRO-SJORKVTESA-N 1 3 301.434 2.104 20 0 DEADHO N[C@@H]1CCC[N@H+]([C@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001171869612 793237128 /nfs/dbraw/zinc/23/71/28/793237128.db2.gz MWNDCWUTXGIKRO-SJORKVTESA-N 1 3 301.434 2.104 20 0 DEADHO CC(=O)NCCN[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171964555 793260981 /nfs/dbraw/zinc/26/09/81/793260981.db2.gz LVUCWULGGDLVIU-KRWDZBQOSA-N 1 3 303.450 2.155 20 0 DEADHO CC(=O)NCCN[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171964555 793260990 /nfs/dbraw/zinc/26/09/90/793260990.db2.gz LVUCWULGGDLVIU-KRWDZBQOSA-N 1 3 303.450 2.155 20 0 DEADHO CC1(C)C[C@@H](NC[C@@H]2CCC(=O)N2)CC[N@@H+]1Cc1ccccc1 ZINC001171970041 793284875 /nfs/dbraw/zinc/28/48/75/793284875.db2.gz XOFCKPLWHGXYNE-IRXDYDNUSA-N 1 3 315.461 2.298 20 0 DEADHO CC1(C)C[C@@H](NC[C@@H]2CCC(=O)N2)CC[N@H+]1Cc1ccccc1 ZINC001171970041 793284885 /nfs/dbraw/zinc/28/48/85/793284885.db2.gz XOFCKPLWHGXYNE-IRXDYDNUSA-N 1 3 315.461 2.298 20 0 DEADHO CC[C@@](N)(CO)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172077651 793310598 /nfs/dbraw/zinc/31/05/98/793310598.db2.gz UVRNJNTZGGSHTB-OKYOBFRVSA-N 1 3 317.477 2.219 20 0 DEADHO CC[C@@](N)(CO)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077651 793310605 /nfs/dbraw/zinc/31/06/05/793310605.db2.gz UVRNJNTZGGSHTB-OKYOBFRVSA-N 1 3 317.477 2.219 20 0 DEADHO Cc1cnc(O[C@@H]2CCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)nc1 ZINC001172132329 793322593 /nfs/dbraw/zinc/32/25/93/793322593.db2.gz KIAWIJGRLJNAFP-LTIDMASMSA-N 1 3 316.449 2.253 20 0 DEADHO Cc1cnc(O[C@@H]2CCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)nc1 ZINC001172132329 793322600 /nfs/dbraw/zinc/32/26/00/793322600.db2.gz KIAWIJGRLJNAFP-LTIDMASMSA-N 1 3 316.449 2.253 20 0 DEADHO Cc1cncnc1O[C@H]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172134752 793323097 /nfs/dbraw/zinc/32/30/97/793323097.db2.gz ZAOIQEMJYSGWGP-YVSFHVDLSA-N 1 3 316.449 2.253 20 0 DEADHO Cc1cncnc1O[C@H]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172134752 793323106 /nfs/dbraw/zinc/32/31/06/793323106.db2.gz ZAOIQEMJYSGWGP-YVSFHVDLSA-N 1 3 316.449 2.253 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCNC(=O)c1ccccc1)C2 ZINC001172102111 793328930 /nfs/dbraw/zinc/32/89/30/793328930.db2.gz JXJMLCTWCTXPJI-OSYLJGHBSA-N 1 3 301.434 2.021 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCNC(=O)c1ccccc1)C2 ZINC001172102111 793328938 /nfs/dbraw/zinc/32/89/38/793328938.db2.gz JXJMLCTWCTXPJI-OSYLJGHBSA-N 1 3 301.434 2.021 20 0 DEADHO O=C1CC[C@@H]2C[C@@H]([N@@H+]3CCCC[C@@H]3CCN3CCCC3)CCN12 ZINC001172178725 793362716 /nfs/dbraw/zinc/36/27/16/793362716.db2.gz NYJKGXFWTHDAKU-KURKYZTESA-N 1 3 319.493 2.480 20 0 DEADHO O=C1CC[C@@H]2C[C@@H]([N@H+]3CCCC[C@@H]3CCN3CCCC3)CCN12 ZINC001172178725 793362725 /nfs/dbraw/zinc/36/27/25/793362725.db2.gz NYJKGXFWTHDAKU-KURKYZTESA-N 1 3 319.493 2.480 20 0 DEADHO CC[NH+](CC)CCN1CCN([C@H](C)CCOCC(C)C)CC1 ZINC001172469893 793424871 /nfs/dbraw/zinc/42/48/71/793424871.db2.gz WACOITRVMLRXSF-GOSISDBHSA-N 1 3 313.530 2.397 20 0 DEADHO Cc1nccn1-c1ccc(CN2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206166679 793448361 /nfs/dbraw/zinc/44/83/61/793448361.db2.gz UGFMLBQDIWATEM-IAGOWNOFSA-N 1 3 302.397 2.442 20 0 DEADHO [NH3+][C@H]1CCC[C@@H](N[C@@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172664862 793473506 /nfs/dbraw/zinc/47/35/06/793473506.db2.gz ZFDMXIIKLZRTQX-GVDBMIGSSA-N 1 3 301.434 2.037 20 0 DEADHO CCC(CC)C[N@H+]1C[C@@H](CNC(=O)[C@@H](CC)N(C)C)[C@H](C)C1 ZINC001102088481 793500890 /nfs/dbraw/zinc/50/08/90/793500890.db2.gz XGKXFIOFSIWOKS-DJIMGWMZSA-N 1 3 311.514 2.447 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)N(C)C)[C@H](C)C1 ZINC001102088481 793500893 /nfs/dbraw/zinc/50/08/93/793500893.db2.gz XGKXFIOFSIWOKS-DJIMGWMZSA-N 1 3 311.514 2.447 20 0 DEADHO CC[C@@H](C)C[N@H+]1C[C@@H](CNC(=O)C(C)(C)N(C)CC)[C@H](C)C1 ZINC001102100867 793504422 /nfs/dbraw/zinc/50/44/22/793504422.db2.gz AMZSMWBYBLERIA-BZUAXINKSA-N 1 3 311.514 2.447 20 0 DEADHO CC[C@@H](C)C[N@@H+]1C[C@@H](CNC(=O)C(C)(C)N(C)CC)[C@H](C)C1 ZINC001102100867 793504424 /nfs/dbraw/zinc/50/44/24/793504424.db2.gz AMZSMWBYBLERIA-BZUAXINKSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@@H](CNC(=O)CN2CCC[C@H]2C)[C@H](C)C1 ZINC001102368456 793587405 /nfs/dbraw/zinc/58/74/05/793587405.db2.gz USQMYTSLMJONTD-BRWVUGGUSA-N 1 3 307.482 2.121 20 0 DEADHO CC(C)=CC[N@H+]1C[C@@H](CNC(=O)CN2CCC[C@H]2C)[C@H](C)C1 ZINC001102368456 793587410 /nfs/dbraw/zinc/58/74/10/793587410.db2.gz USQMYTSLMJONTD-BRWVUGGUSA-N 1 3 307.482 2.121 20 0 DEADHO C[C@@H]1C[N@H+](CCC2CC2)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102375329 793593816 /nfs/dbraw/zinc/59/38/16/793593816.db2.gz CRXIJZFPTUWQAH-NVXWUHKLSA-N 1 3 323.525 2.449 20 0 DEADHO C[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102375329 793593823 /nfs/dbraw/zinc/59/38/23/793593823.db2.gz CRXIJZFPTUWQAH-NVXWUHKLSA-N 1 3 323.525 2.449 20 0 DEADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CN(C/C=C\Cl)C[C@H]1C ZINC001102524757 793640367 /nfs/dbraw/zinc/64/03/67/793640367.db2.gz UUPVNABSRUGTBT-JFOCPDPESA-N 1 3 315.889 2.155 20 0 DEADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C/C=C\Cl)C[C@H]1C ZINC001102524757 793640372 /nfs/dbraw/zinc/64/03/72/793640372.db2.gz UUPVNABSRUGTBT-JFOCPDPESA-N 1 3 315.889 2.155 20 0 DEADHO CC[C@@H]1CC[C@@H](N2CCC([NH+]3CCC(C(N)=O)CC3)CC2)C1 ZINC001173292760 793662082 /nfs/dbraw/zinc/66/20/82/793662082.db2.gz HSVBVUDZGOMPNZ-RHSMWYFYSA-N 1 3 307.482 2.227 20 0 DEADHO CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC[C@H]2C)C1 ZINC001103435086 794091052 /nfs/dbraw/zinc/09/10/52/794091052.db2.gz OYGLNQALOSRJEM-BRWVUGGUSA-N 1 3 309.498 2.345 20 0 DEADHO CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC[C@H]2C)C1 ZINC001103435086 794091060 /nfs/dbraw/zinc/09/10/60/794091060.db2.gz OYGLNQALOSRJEM-BRWVUGGUSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](F)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(CC)CC)C1 ZINC001103550205 794141414 /nfs/dbraw/zinc/14/14/14/794141414.db2.gz DRUCXGGHCFVMFK-OAGGEKHMSA-N 1 3 315.477 2.151 20 0 DEADHO CC[C@H](F)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(CC)CC)C1 ZINC001103550205 794141415 /nfs/dbraw/zinc/14/14/15/794141415.db2.gz DRUCXGGHCFVMFK-OAGGEKHMSA-N 1 3 315.477 2.151 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1C ZINC001103755847 794213513 /nfs/dbraw/zinc/21/35/13/794213513.db2.gz QFGKMFODGGWULZ-IPKOWEFYSA-N 1 3 315.889 2.153 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1C ZINC001103755847 794213521 /nfs/dbraw/zinc/21/35/21/794213521.db2.gz QFGKMFODGGWULZ-IPKOWEFYSA-N 1 3 315.889 2.153 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)CCCC[NH2+]Cc1cnoc1C ZINC001175769970 794285588 /nfs/dbraw/zinc/28/55/88/794285588.db2.gz WXRUMMUJRZVTBP-CQSZACIVSA-N 1 3 324.469 2.089 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ocnc1C ZINC001175785842 794287917 /nfs/dbraw/zinc/28/79/17/794287917.db2.gz FEDOVSCSUBMNAL-CQSZACIVSA-N 1 3 324.469 2.089 20 0 DEADHO CC[C@H](C[NH2+]CCCC[C@H](C)NC(=O)CN(CC)CC)OC ZINC001175787770 794289419 /nfs/dbraw/zinc/28/94/19/794289419.db2.gz XBSTUOMIGOSOLG-JKSUJKDBSA-N 1 3 315.502 2.018 20 0 DEADHO CC[C@@H](F)C[NH2+]CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001176889870 794524375 /nfs/dbraw/zinc/52/43/75/794524375.db2.gz GZOQLUFULZAQEZ-MRXNPFEDSA-N 1 3 309.429 2.206 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCC3=CCCCC3)C[C@H]21 ZINC001115305057 794729575 /nfs/dbraw/zinc/72/95/75/794729575.db2.gz ZPSAVDJSAULUDG-DZFIZOCASA-N 1 3 319.493 2.264 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]21 ZINC001115305057 794729576 /nfs/dbraw/zinc/72/95/76/794729576.db2.gz ZPSAVDJSAULUDG-DZFIZOCASA-N 1 3 319.493 2.264 20 0 DEADHO CN(C)[C@@H](C(=O)NCC1([NH2+]CC2CC2)CCCCC1)C1CC1 ZINC001115573357 794826569 /nfs/dbraw/zinc/82/65/69/794826569.db2.gz ORWRCKBSIHSEAH-MRXNPFEDSA-N 1 3 307.482 2.145 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCCCCC[NH2+][C@H](C)COC ZINC001178853381 795013983 /nfs/dbraw/zinc/01/39/83/795013983.db2.gz IJRGNXWMNKDISE-OAHLLOKOSA-N 1 3 315.502 2.018 20 0 DEADHO CC/C=C/CC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC001178902116 795026486 /nfs/dbraw/zinc/02/64/86/795026486.db2.gz ADCVKEVNQYJZGL-KAWBWNIXSA-N 1 3 307.482 2.406 20 0 DEADHO CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C ZINC001179608662 795142489 /nfs/dbraw/zinc/14/24/89/795142489.db2.gz VCKYRURRYSRIEC-ZHNMKYCWSA-N 1 3 304.438 2.278 20 0 DEADHO CC[C@@H](F)C[NH2+]CCCCCCNC(=O)[C@H](CC)N(C)C ZINC001179609132 795143065 /nfs/dbraw/zinc/14/30/65/795143065.db2.gz JVAYRYUFRZSVEF-CABCVRRESA-N 1 3 303.466 2.341 20 0 DEADHO C[C@H](C(=O)N(CC[NH3+])C12CC3CC(CC(C3)C1)C2)N1CCCC1 ZINC001180582841 795337661 /nfs/dbraw/zinc/33/76/61/795337661.db2.gz RLWZVGLKKGAOIW-DGTBMVLOSA-N 1 3 319.493 2.227 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CCF)C1 ZINC001120441019 795460973 /nfs/dbraw/zinc/46/09/73/795460973.db2.gz WRWFWQOJLHXIMZ-CVEARBPZSA-N 1 3 313.461 2.001 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CCF)C1 ZINC001120441019 795460977 /nfs/dbraw/zinc/46/09/77/795460977.db2.gz WRWFWQOJLHXIMZ-CVEARBPZSA-N 1 3 313.461 2.001 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CC2CC2)C1 ZINC001120448740 795462604 /nfs/dbraw/zinc/46/26/04/795462604.db2.gz FOJDYNABZRSYEL-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+]2CC2CC2)C1 ZINC001120448740 795462607 /nfs/dbraw/zinc/46/26/07/795462607.db2.gz FOJDYNABZRSYEL-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@]1(C)C[NH2+]CC1CCC1 ZINC001181745450 795531043 /nfs/dbraw/zinc/53/10/43/795531043.db2.gz GXEMDODWXQPBTF-CRAIPNDOSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CC(C)C2)C1)N(C)C ZINC001181885247 795556627 /nfs/dbraw/zinc/55/66/27/795556627.db2.gz SWURWOVJBBADIA-BEWYENAOSA-N 1 3 323.525 2.447 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(Cc1cccc(C[NH3+])c1)C(C)=N ZINC001182001056 795581966 /nfs/dbraw/zinc/58/19/66/795581966.db2.gz HMUMLCHMRFRMLM-KRWDZBQOSA-N 1 3 316.449 2.345 20 0 DEADHO CC(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001121245443 795606636 /nfs/dbraw/zinc/60/66/36/795606636.db2.gz FVIYTRRHNUXVNR-APUKJBRXSA-N 1 3 321.509 2.390 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC[C@H](C)F)C1)N(C)C ZINC001182637551 795716989 /nfs/dbraw/zinc/71/69/89/795716989.db2.gz IPHWTZMSIXFQMN-WBTNSWJXSA-N 1 3 315.477 2.149 20 0 DEADHO CC(C)CC[NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001182750516 795738679 /nfs/dbraw/zinc/73/86/79/795738679.db2.gz KVIIAPUFIJONNU-RHSMWYFYSA-N 1 3 306.454 2.073 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC[C@H](C)F)C1 ZINC001183228810 795828295 /nfs/dbraw/zinc/82/82/95/795828295.db2.gz UETHMAOHMDBJAA-HLLBOEOZSA-N 1 3 315.477 2.151 20 0 DEADHO CC(C)C[C@H](C)C[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001183437560 795873927 /nfs/dbraw/zinc/87/39/27/795873927.db2.gz XNSLVARWVCKNMZ-BBWFWOEESA-N 1 3 311.514 2.445 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@]1(C)CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001183517262 795879684 /nfs/dbraw/zinc/87/96/84/795879684.db2.gz XTIWSIFTUIUIHA-HLLBOEOZSA-N 1 3 315.477 2.149 20 0 DEADHO Cc1[nH]c(=O)[nH]c(=O)c1CN1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001138468909 796222958 /nfs/dbraw/zinc/22/29/58/796222958.db2.gz GTLIDEBZRQKHFV-KBPBESRZSA-N 1 3 320.437 2.035 20 0 DEADHO Cc1[nH]c(=O)[nH]c(=O)c1CN1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001138468909 796222960 /nfs/dbraw/zinc/22/29/60/796222960.db2.gz GTLIDEBZRQKHFV-KBPBESRZSA-N 1 3 320.437 2.035 20 0 DEADHO CCC(=O)Oc1ccc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)cc1 ZINC001138959857 796307747 /nfs/dbraw/zinc/30/77/47/796307747.db2.gz CWOMFVHNBUJNOJ-CVEARBPZSA-N 1 3 302.418 2.386 20 0 DEADHO CCC(=O)Oc1ccc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)cc1 ZINC001138959857 796307748 /nfs/dbraw/zinc/30/77/48/796307748.db2.gz CWOMFVHNBUJNOJ-CVEARBPZSA-N 1 3 302.418 2.386 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCc2ccccc2)C1)N(C)C ZINC001185706566 796308170 /nfs/dbraw/zinc/30/81/70/796308170.db2.gz ORWVVCKWBGQMRK-MSOLQXFVSA-N 1 3 317.477 2.150 20 0 DEADHO CN(CC(=O)N1CC[C@@H]([NH2+]CCCCCF)C1)CC(C)(C)C ZINC001185723534 796309640 /nfs/dbraw/zinc/30/96/40/796309640.db2.gz MEGJRHCIJLEOPB-OAHLLOKOSA-N 1 3 315.477 2.295 20 0 DEADHO CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001186554307 796415041 /nfs/dbraw/zinc/41/50/41/796415041.db2.gz BBEYXTWSXFNOCJ-LAQIPUCWSA-N 1 3 307.482 2.265 20 0 DEADHO C[NH+]1CCC2(CCN(Cc3cnc4c(c3)OCCO4)CC2)CC1 ZINC001139736234 796418288 /nfs/dbraw/zinc/41/82/88/796418288.db2.gz UCVSXTGZXHGRQH-UHFFFAOYSA-N 1 3 317.433 2.161 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1C[C@H](NC(=O)CN(C)C2CCC2)C12CCC2 ZINC001203026981 796513258 /nfs/dbraw/zinc/51/32/58/796513258.db2.gz BFJBYNFYAIWNOJ-SJORKVTESA-N 1 3 319.493 2.454 20 0 DEADHO CC[C@H](F)CN[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001187921309 796603020 /nfs/dbraw/zinc/60/30/20/796603020.db2.gz DWZKAUNHMJLSOW-JKSUJKDBSA-N 1 3 313.461 2.191 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]CC2CC2)C12CCC2 ZINC001203103642 796649348 /nfs/dbraw/zinc/64/93/48/796649348.db2.gz LYBPYMUZZQFERH-GJZGRUSLSA-N 1 3 307.482 2.144 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCCC2CCC2)C1 ZINC001189400874 796822670 /nfs/dbraw/zinc/82/26/70/796822670.db2.gz POUUKQABWYWYRQ-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001189400874 796822675 /nfs/dbraw/zinc/82/26/75/796822675.db2.gz POUUKQABWYWYRQ-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001190656573 797050082 /nfs/dbraw/zinc/05/00/82/797050082.db2.gz VHHHSKHLYPLFDE-SJORKVTESA-N 1 3 309.498 2.296 20 0 DEADHO CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001190656573 797050089 /nfs/dbraw/zinc/05/00/89/797050089.db2.gz VHHHSKHLYPLFDE-SJORKVTESA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)=CCN(C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001190744018 797068329 /nfs/dbraw/zinc/06/83/29/797068329.db2.gz OHSAUBOGENKYMC-DLBZAZTESA-N 1 3 307.482 2.360 20 0 DEADHO CC(C)=CCN(C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001190744018 797068338 /nfs/dbraw/zinc/06/83/38/797068338.db2.gz OHSAUBOGENKYMC-DLBZAZTESA-N 1 3 307.482 2.360 20 0 DEADHO Cc1ccc(F)cc1CNCCNC(=O)CCC[NH+]1CCCC1 ZINC001152224457 797160277 /nfs/dbraw/zinc/16/02/77/797160277.db2.gz YHUVTXFWLHBZLH-UHFFFAOYSA-N 1 3 321.440 2.216 20 0 DEADHO Cc1cc(CNCCNC(=O)CCC[NH+]2CCCC2)cs1 ZINC001152237529 797161270 /nfs/dbraw/zinc/16/12/70/797161270.db2.gz OPDXOKWLFVVHRN-UHFFFAOYSA-N 1 3 309.479 2.138 20 0 DEADHO CC(C)N(C)CC(=O)NCC[NH2+][C@H]1CCc2c1cccc2Cl ZINC001152426457 797185692 /nfs/dbraw/zinc/18/56/92/797185692.db2.gz ISGUEDYLZUSRQT-INIZCTEOSA-N 1 3 323.868 2.373 20 0 DEADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)cs1 ZINC001192170619 797330484 /nfs/dbraw/zinc/33/04/84/797330484.db2.gz OGFULCYPQBAQLJ-OAHLLOKOSA-N 1 3 309.479 2.041 20 0 DEADHO CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001192342266 797367137 /nfs/dbraw/zinc/36/71/37/797367137.db2.gz BTWBWNNFEBGQNP-JOGGYFKDSA-N 1 3 307.482 2.360 20 0 DEADHO CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001192342266 797367146 /nfs/dbraw/zinc/36/71/46/797367146.db2.gz BTWBWNNFEBGQNP-JOGGYFKDSA-N 1 3 307.482 2.360 20 0 DEADHO CC(C)CCC[N@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001192353173 797370322 /nfs/dbraw/zinc/37/03/22/797370322.db2.gz BGHOFEVXLYACSA-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001192353173 797370329 /nfs/dbraw/zinc/37/03/29/797370329.db2.gz BGHOFEVXLYACSA-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC[C@H]([N@H+](C)CC2CC2)C1 ZINC001192907539 797469569 /nfs/dbraw/zinc/46/95/69/797469569.db2.gz XEEPSDYKDFOGFI-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)CC2CC2)C1 ZINC001192907539 797469571 /nfs/dbraw/zinc/46/95/71/797469571.db2.gz XEEPSDYKDFOGFI-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]([N@H+](C)CCCF)C2)c1 ZINC001194228227 797696230 /nfs/dbraw/zinc/69/62/30/797696230.db2.gz QBWBIORXLGRHJV-KRWDZBQOSA-N 1 3 321.440 2.254 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]([N@@H+](C)CCCF)C2)c1 ZINC001194228227 797696235 /nfs/dbraw/zinc/69/62/35/797696235.db2.gz QBWBIORXLGRHJV-KRWDZBQOSA-N 1 3 321.440 2.254 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]([N@H+](C)CCCF)C1 ZINC001194246282 797699412 /nfs/dbraw/zinc/69/94/12/797699412.db2.gz KLKKVQYOPWZHAM-MRXNPFEDSA-N 1 3 321.440 2.254 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]([N@@H+](C)CCCF)C1 ZINC001194246282 797699414 /nfs/dbraw/zinc/69/94/14/797699414.db2.gz KLKKVQYOPWZHAM-MRXNPFEDSA-N 1 3 321.440 2.254 20 0 DEADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001194285969 797709482 /nfs/dbraw/zinc/70/94/82/797709482.db2.gz WAZISERLRXORAH-SFHVURJKSA-N 1 3 317.477 2.368 20 0 DEADHO Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001194285969 797709487 /nfs/dbraw/zinc/70/94/87/797709487.db2.gz WAZISERLRXORAH-SFHVURJKSA-N 1 3 317.477 2.368 20 0 DEADHO N=C(NCCCC[NH3+])Nc1c(F)ccc2c(Cl)ncnc21 ZINC001157102277 798144109 /nfs/dbraw/zinc/14/41/09/798144109.db2.gz WEGZWHZUQGLUGP-UHFFFAOYSA-N 1 3 310.764 2.097 20 0 DEADHO CC1(C)C[C@H](Nc2cc3c(nn2)CCNC3)C[C@](C)(C[NH3+])C1 ZINC001158263339 798370454 /nfs/dbraw/zinc/37/04/54/798370454.db2.gz BNYOGXDVQNXOBM-GUYCJALGSA-N 1 3 303.454 2.078 20 0 DEADHO Cc1nccn1-c1ccc(C[N@@H+]2CCC(F)(F)[C@H](N)C2)cc1 ZINC001206667676 798506900 /nfs/dbraw/zinc/50/69/00/798506900.db2.gz KDYVLIWWMKVUKA-OAHLLOKOSA-N 1 3 306.360 2.349 20 0 DEADHO Cc1nccn1-c1ccc(C[N@H+]2CCC(F)(F)[C@H](N)C2)cc1 ZINC001206667676 798506903 /nfs/dbraw/zinc/50/69/03/798506903.db2.gz KDYVLIWWMKVUKA-OAHLLOKOSA-N 1 3 306.360 2.349 20 0 DEADHO CC[N@@H+]1CCCC[C@@H]1c1ccc(N[C@@H](C)[C@H]2CNCCO2)nc1 ZINC001159502919 798574975 /nfs/dbraw/zinc/57/49/75/798574975.db2.gz QQQDNTOCRKJIHD-USXIJHARSA-N 1 3 318.465 2.417 20 0 DEADHO CC[N@H+]1CCCC[C@@H]1c1ccc(N[C@@H](C)[C@H]2CNCCO2)nc1 ZINC001159502919 798574978 /nfs/dbraw/zinc/57/49/78/798574978.db2.gz QQQDNTOCRKJIHD-USXIJHARSA-N 1 3 318.465 2.417 20 0 DEADHO CSc1cnc(Cl)c(C(F)(F)N[C@H](N)CCC[NH3+])c1 ZINC001159786683 798608300 /nfs/dbraw/zinc/60/83/00/798608300.db2.gz HFMUDIJMMDDLBE-VIFPVBQESA-N 1 3 310.801 2.120 20 0 DEADHO CN(C)C1(C(=O)NCCC[NH2+][C@@H]2CCc3ccccc32)CCC1 ZINC001159853640 798618684 /nfs/dbraw/zinc/61/86/84/798618684.db2.gz GMPTZJVYQUVPCB-QGZVFWFLSA-N 1 3 315.461 2.254 20 0 DEADHO CN(C)[C@@H](C(=O)NCCC[NH2+]C/C=C/c1ccccc1)C1CC1 ZINC001159914168 798624599 /nfs/dbraw/zinc/62/45/99/798624599.db2.gz AVQPECPHIFDHFJ-WGLAMXGCSA-N 1 3 315.461 2.136 20 0 DEADHO CCc1ccc(C[NH2+]CCCNC(=O)CN(C)C2CCC2)cc1 ZINC001160003394 798639336 /nfs/dbraw/zinc/63/93/36/798639336.db2.gz MMVGGTHIDVJEDB-UHFFFAOYSA-N 1 3 317.477 2.329 20 0 DEADHO C[NH2+]Cc1ccc(NC(=O)[C@@H](N)C2Cc3ccccc3C2)cc1 ZINC001160444030 798689347 /nfs/dbraw/zinc/68/93/47/798689347.db2.gz UNQSUXWOPWIARP-SFHVURJKSA-N 1 3 309.413 2.087 20 0 DEADHO CC[C@H](F)C[NH2+]C1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001201326872 798740940 /nfs/dbraw/zinc/74/09/40/798740940.db2.gz DIHSVAFTQRUABO-ZDUSSCGKSA-N 1 3 301.450 2.045 20 0 DEADHO CNC(=O)C[N@@H+]1CCCC12CCN(CC1CCCCC1)CC2 ZINC001201388652 798750359 /nfs/dbraw/zinc/75/03/59/798750359.db2.gz CWPUBSYXLVIPSF-UHFFFAOYSA-N 1 3 307.482 2.243 20 0 DEADHO CNC(=O)C[N@H+]1CCCC12CCN(CC1CCCCC1)CC2 ZINC001201388652 798750361 /nfs/dbraw/zinc/75/03/61/798750361.db2.gz CWPUBSYXLVIPSF-UHFFFAOYSA-N 1 3 307.482 2.243 20 0 DEADHO CCN(CC)CC(=O)NCCC1=CC[N@H+](CCC2CC2)CC1 ZINC001161504500 798872453 /nfs/dbraw/zinc/87/24/53/798872453.db2.gz OPKIGHNJEJFFDZ-UHFFFAOYSA-N 1 3 307.482 2.267 20 0 DEADHO CCN(CC)CC(=O)NCCC1=CC[N@@H+](CCC2CC2)CC1 ZINC001161504500 798872456 /nfs/dbraw/zinc/87/24/56/798872456.db2.gz OPKIGHNJEJFFDZ-UHFFFAOYSA-N 1 3 307.482 2.267 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]CCCC3CCC3)CC2)C1 ZINC001202495838 798983348 /nfs/dbraw/zinc/98/33/48/798983348.db2.gz JDFMZQDFUJVFES-MRXNPFEDSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]21)N(C)C ZINC001114443052 799113858 /nfs/dbraw/zinc/11/38/58/799113858.db2.gz URHNQITVRHXQCW-HZMVEIRTSA-N 1 3 321.509 2.055 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]21)N(C)C ZINC001114443052 799113862 /nfs/dbraw/zinc/11/38/62/799113862.db2.gz URHNQITVRHXQCW-HZMVEIRTSA-N 1 3 321.509 2.055 20 0 DEADHO CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](C1CC1)N(C)C ZINC001162832681 799185304 /nfs/dbraw/zinc/18/53/04/799185304.db2.gz YOMLMXJLYYCZCG-GOSISDBHSA-N 1 3 317.477 2.007 20 0 DEADHO CC(C)[NH2+]CCN(CCc1ccccc1)C(=O)Cc1c[nH]cn1 ZINC001162947061 799205795 /nfs/dbraw/zinc/20/57/95/799205795.db2.gz YHJJAMVHWXDLFL-UHFFFAOYSA-N 1 3 314.433 2.022 20 0 DEADHO Clc1cc(NC2CC3(C2)CCC[NH2+]C3)c2c(n1)CNCC2 ZINC001162982101 799214806 /nfs/dbraw/zinc/21/48/06/799214806.db2.gz MZBHYKTXBUNMBR-UHFFFAOYSA-N 1 3 306.841 2.325 20 0 DEADHO C[C@@H]1CCCCN1c1cccc(NC[C@]23C[NH2+]C[C@H]2COC3)n1 ZINC001163154500 799263984 /nfs/dbraw/zinc/26/39/84/799263984.db2.gz VIGIQDNTGKIKFX-VKJFTORMSA-N 1 3 316.449 2.108 20 0 DEADHO CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCCN1CCC3)C2 ZINC001095685318 799694406 /nfs/dbraw/zinc/69/44/06/799694406.db2.gz ABIFDBDMRJBOKU-PMPSAXMXSA-N 1 3 305.466 2.136 20 0 DEADHO CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCCN1CCC3)C2 ZINC001095685318 799694411 /nfs/dbraw/zinc/69/44/11/799694411.db2.gz ABIFDBDMRJBOKU-PMPSAXMXSA-N 1 3 305.466 2.136 20 0 DEADHO CC(C)(C)N(c1cccc(N)n1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001165668937 799759120 /nfs/dbraw/zinc/75/91/20/799759120.db2.gz HJFVTQKFWRGJSI-CYBMUJFWSA-N 1 3 304.438 2.180 20 0 DEADHO CC(C)[C@H](C(=O)NCCC[NH2+]C[C@H]1CCC(F)(F)C1)N(C)C ZINC001166010077 799812693 /nfs/dbraw/zinc/81/26/93/799812693.db2.gz GKBZOASUBLBFTO-UONOGXRCSA-N 1 3 319.440 2.104 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)CN2CCC[C@@H]2C)cc1C ZINC001166626908 799905361 /nfs/dbraw/zinc/90/53/61/799905361.db2.gz LXERKOQTPZBJOW-KRWDZBQOSA-N 1 3 317.477 2.384 20 0 DEADHO CCc1ccccc1C[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166633393 799907252 /nfs/dbraw/zinc/90/72/52/799907252.db2.gz FIMOUWXUFSQZGE-MRXNPFEDSA-N 1 3 317.477 2.329 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166634207 799907281 /nfs/dbraw/zinc/90/72/81/799907281.db2.gz QZUPSFLZHCWPFR-HNNXBMFYSA-N 1 3 321.440 2.214 20 0 DEADHO CCc1cccc(C[NH2+]CCCNC(=O)CN2CCC[C@@H]2C)c1 ZINC001166633497 799907427 /nfs/dbraw/zinc/90/74/27/799907427.db2.gz GTUWGJAAVDZTLU-INIZCTEOSA-N 1 3 317.477 2.329 20 0 DEADHO C[C@H]([NH2+]CCCNC(=O)CN1CC[C@@H](C)C1)c1ccccc1 ZINC001166677328 799917492 /nfs/dbraw/zinc/91/74/92/799917492.db2.gz HSQUIEDSTSCRKW-CVEARBPZSA-N 1 3 303.450 2.185 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CCC2CCCCC2)C1 ZINC001166678885 799919464 /nfs/dbraw/zinc/91/94/64/799919464.db2.gz XWTITIFAMPKPFH-INIZCTEOSA-N 1 3 309.498 2.395 20 0 DEADHO CC[C@@H](C)C[NH2+]CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001166687212 799921769 /nfs/dbraw/zinc/92/17/69/799921769.db2.gz JDBYJFZPKSUJIS-PBHICJAKSA-N 1 3 315.477 2.341 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+][C@H]1CCc2c1cccc2F)N(C)C ZINC001166852074 799965253 /nfs/dbraw/zinc/96/52/53/799965253.db2.gz LLNZVZKCLVGPBD-IRXDYDNUSA-N 1 3 321.440 2.249 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1c(C)cccc1C)N(C)C ZINC001166858073 799966825 /nfs/dbraw/zinc/96/68/25/799966825.db2.gz MLVWHLAGKNHCGK-KRWDZBQOSA-N 1 3 305.466 2.240 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+]CC1CCC2(CC2)CC1)N(C)C ZINC001166866815 799969228 /nfs/dbraw/zinc/96/92/28/799969228.db2.gz VJANVSOSUNKLFX-INIZCTEOSA-N 1 3 309.498 2.393 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCC(C)C)C12CCC2 ZINC001203630230 800093576 /nfs/dbraw/zinc/09/35/76/800093576.db2.gz FNPNPNDGSBOBAP-CVEARBPZSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001203925359 800146583 /nfs/dbraw/zinc/14/65/83/800146583.db2.gz NDTLDWMNDXUXIR-UHFFFAOYSA-N 1 3 321.509 2.488 20 0 DEADHO [NH3+]C[C@@]1(O)CCCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC001205211893 800317855 /nfs/dbraw/zinc/31/78/55/800317855.db2.gz WWJAAYXKGWWQOT-CQSZACIVSA-N 1 3 302.340 2.381 20 0 DEADHO CCCCC[NH2+]CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001205457551 800359142 /nfs/dbraw/zinc/35/91/42/800359142.db2.gz DKWKDBOUADISRN-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CC[C@H](C)C[NH2+]CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001205457962 800359654 /nfs/dbraw/zinc/35/96/54/800359654.db2.gz ZLQDHIZUGAKPLZ-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO COc1cc(CN2CCC[C@](F)(C[NH3+])CC2)cc(F)c1O ZINC001205546941 800373814 /nfs/dbraw/zinc/37/38/14/800373814.db2.gz ZKTOLKJLHFFGBG-OAHLLOKOSA-N 1 3 300.349 2.193 20 0 DEADHO COc1ccc2n[nH]c(CN3CCC[C@](F)(C[NH3+])CC3)c2c1 ZINC001205558921 800377392 /nfs/dbraw/zinc/37/73/92/800377392.db2.gz LOUNYXXKGQWNMS-MRXNPFEDSA-N 1 3 306.385 2.224 20 0 DEADHO CC[C@@H](F)C[NH2+]CC1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001205562637 800377962 /nfs/dbraw/zinc/37/79/62/800377962.db2.gz ZKBKDGHOWYVPBB-OAHLLOKOSA-N 1 3 315.477 2.293 20 0 DEADHO COC(=O)c1cc(F)cc(CN2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205653696 800395012 /nfs/dbraw/zinc/39/50/12/800395012.db2.gz UKBSAVWPZTUSIB-TZMCWYRMSA-N 1 3 308.397 2.419 20 0 DEADHO CN(C)C[C@H]1CN(C(=O)CC[NH2+]C(C)(C)C)c2ccccc2O1 ZINC000934736500 800440838 /nfs/dbraw/zinc/44/08/38/800440838.db2.gz YKTJPFFZLCGPCH-AWEZNQCLSA-N 1 3 319.449 2.120 20 0 DEADHO CC(C)(O)CCCC1=CC[C@@H](C[N@@H+]2CC[C@@H](N)[C@H](O)C2)CC1 ZINC001205946104 800448630 /nfs/dbraw/zinc/44/86/30/800448630.db2.gz INUBCPYIOUBZNE-BRWVUGGUSA-N 1 3 310.482 2.048 20 0 DEADHO CC(C)(O)CCCC1=CC[C@@H](C[N@H+]2CC[C@@H](N)[C@H](O)C2)CC1 ZINC001205946104 800448635 /nfs/dbraw/zinc/44/86/35/800448635.db2.gz INUBCPYIOUBZNE-BRWVUGGUSA-N 1 3 310.482 2.048 20 0 DEADHO COC(=O)c1cc(F)ccc1CN1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206036789 800462936 /nfs/dbraw/zinc/46/29/36/800462936.db2.gz PXAFOUIIYOBHCH-STQMWFEESA-N 1 3 308.397 2.419 20 0 DEADHO COc1cc(C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)ccc1-n1ccnc1 ZINC001206195957 800488746 /nfs/dbraw/zinc/48/87/46/800488746.db2.gz AHJXMGGGQZPWMF-CABCVRRESA-N 1 3 318.396 2.142 20 0 DEADHO COc1cc(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)ccc1-n1ccnc1 ZINC001206195957 800488747 /nfs/dbraw/zinc/48/87/47/800488747.db2.gz AHJXMGGGQZPWMF-CABCVRRESA-N 1 3 318.396 2.142 20 0 DEADHO CC(C)=CC[NH2+]CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001206275145 800499749 /nfs/dbraw/zinc/49/97/49/800499749.db2.gz OGQWMPCFPISNPJ-INIZCTEOSA-N 1 3 307.482 2.123 20 0 DEADHO CCOC(=O)c1cccc(CN2CCC[C@](C)(C[NH3+])CC2)n1 ZINC001206325714 800509109 /nfs/dbraw/zinc/50/91/09/800509109.db2.gz HWWJJVMNKZIVCD-KRWDZBQOSA-N 1 3 305.422 2.209 20 0 DEADHO CC(C)OCc1ncn2c1CN(CC1CC[NH2+]CC1)CCC2 ZINC001207437316 800752667 /nfs/dbraw/zinc/75/26/67/800752667.db2.gz SQFCZCRDZLHRAY-UHFFFAOYSA-N 1 3 306.454 2.013 20 0 DEADHO COCC[N@H+](CC1(CN(C)C)CCCC1)C1CCN(C)CC1 ZINC001208190454 800926904 /nfs/dbraw/zinc/92/69/04/800926904.db2.gz DVCFFEIIFUDUGM-UHFFFAOYSA-N 1 3 311.514 2.151 20 0 DEADHO COCC[N@@H+](CC1(CN(C)C)CCCC1)C1CCN(C)CC1 ZINC001208190454 800926911 /nfs/dbraw/zinc/92/69/11/800926911.db2.gz DVCFFEIIFUDUGM-UHFFFAOYSA-N 1 3 311.514 2.151 20 0 DEADHO CN(CC1C[NH+](C[C@@H]2CCCN(C)C2)C1)C(=O)OC(C)(C)C ZINC001208608425 801030642 /nfs/dbraw/zinc/03/06/42/801030642.db2.gz SKXAYRXKURGCTF-CQSZACIVSA-N 1 3 311.470 2.127 20 0 DEADHO COc1ccc(CCN2CC3(C2)CC[NH+](C)CC3)cc1OC ZINC001208759655 801064653 /nfs/dbraw/zinc/06/46/53/801064653.db2.gz XWRAGZMCPHZMOA-UHFFFAOYSA-N 1 3 304.434 2.274 20 0 DEADHO C[NH+](C)CCCN1CCN(CCCc2ccc(F)cc2)CC1 ZINC001208770114 801067023 /nfs/dbraw/zinc/06/70/23/801067023.db2.gz KABMXIPVHZMAMT-UHFFFAOYSA-N 1 3 307.457 2.328 20 0 DEADHO O=C1CC[C@H]2[C@H](CC[N@@H+]2CCCN2CCCCC2)N1CC1CC1 ZINC001209452016 801193768 /nfs/dbraw/zinc/19/37/68/801193768.db2.gz ZOKQGIDTUNJIBX-ROUUACIJSA-N 1 3 319.493 2.338 20 0 DEADHO O=C1CC[C@H]2[C@H](CC[N@H+]2CCCN2CCCCC2)N1CC1CC1 ZINC001209452016 801193772 /nfs/dbraw/zinc/19/37/72/801193772.db2.gz ZOKQGIDTUNJIBX-ROUUACIJSA-N 1 3 319.493 2.338 20 0 DEADHO C[C@H](c1cccc(F)c1)N1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001229007753 801207783 /nfs/dbraw/zinc/20/77/83/801207783.db2.gz DUGABSHZWFSHRH-CQSZACIVSA-N 1 3 321.440 2.419 20 0 DEADHO CC(C)CCC[NH2+][C@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001209631956 801238498 /nfs/dbraw/zinc/23/84/98/801238498.db2.gz IWGOSPMGAIXLGB-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001209642174 801243655 /nfs/dbraw/zinc/24/36/55/801243655.db2.gz MZUYJVAAKMCNBU-DOTOQJQBSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001209643358 801244364 /nfs/dbraw/zinc/24/43/64/801244364.db2.gz SAOFQLQWGYDQIW-SJLPKXTDSA-N 1 3 321.509 2.489 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCC[C@H]([NH2+]CC2CC2)C1 ZINC001210183662 801348826 /nfs/dbraw/zinc/34/88/26/801348826.db2.gz QLDWDZKAHWLXIR-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001210216889 801353217 /nfs/dbraw/zinc/35/32/17/801353217.db2.gz BKYMKTNUDDDZOP-QGZVFWFLSA-N 1 3 307.482 2.409 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]Cc2ccsc2)C1 ZINC001210221307 801353580 /nfs/dbraw/zinc/35/35/80/801353580.db2.gz ZLNXSFUVKXOYPV-HNNXBMFYSA-N 1 3 309.479 2.171 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001210781888 801463094 /nfs/dbraw/zinc/46/30/94/801463094.db2.gz DLIVWICCZAQRQU-QGZVFWFLSA-N 1 3 321.440 2.248 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC001210811155 801468155 /nfs/dbraw/zinc/46/81/55/801468155.db2.gz KIGPSAKUZHOKTP-GOSISDBHSA-N 1 3 317.477 2.152 20 0 DEADHO CCC[N@H+](C)CCC(=O)NCCCN(CC)Cc1cccnc1 ZINC001230906237 801527859 /nfs/dbraw/zinc/52/78/59/801527859.db2.gz PKIOQDXIASOWQA-UHFFFAOYSA-N 1 3 320.481 2.142 20 0 DEADHO CCC[N@@H+](C)CCC(=O)NCCCN(CC)Cc1cccnc1 ZINC001230906237 801527864 /nfs/dbraw/zinc/52/78/64/801527864.db2.gz PKIOQDXIASOWQA-UHFFFAOYSA-N 1 3 320.481 2.142 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CCC(C)(C)C ZINC001214847903 801765859 /nfs/dbraw/zinc/76/58/59/801765859.db2.gz XTWORJSEUZBQNU-HUUCEWRRSA-N 1 3 309.498 2.343 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C)C1 ZINC001215994106 801924046 /nfs/dbraw/zinc/92/40/46/801924046.db2.gz QESZQQLSQHSFLN-SJLPKXTDSA-N 1 3 317.477 2.273 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cc(C2CCCC2)no1 ZINC001218507179 802195000 /nfs/dbraw/zinc/19/50/00/802195000.db2.gz JTWXVOMGFGIMFV-ZDUSSCGKSA-N 1 3 308.426 2.330 20 0 DEADHO CC(C)[C@]1(C(=O)Nc2cc([C@@H]3CCCN3)no2)CCC[NH2+]C1 ZINC001218711703 802230016 /nfs/dbraw/zinc/23/00/16/802230016.db2.gz MIJUIOLQBDJWDF-LRDDRELGSA-N 1 3 306.410 2.063 20 0 DEADHO N[C@H](CCC[NH3+])C(=O)Nc1ccc(C2(C(F)(F)F)CC2)cc1 ZINC001218817099 802243985 /nfs/dbraw/zinc/24/39/85/802243985.db2.gz YBAPOCROHNUODF-GFCCVEGCSA-N 1 3 315.339 2.285 20 0 DEADHO CNc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001218931166 802261728 /nfs/dbraw/zinc/26/17/28/802261728.db2.gz YGLCIKYWANYOKR-JTQLQIEISA-N 1 3 318.343 2.142 20 0 DEADHO N[C@H](C(=O)Nc1ccc(F)c2ccccc12)C1CC[NH2+]CC1 ZINC001219260770 802303485 /nfs/dbraw/zinc/30/34/85/802303485.db2.gz VIACIXLFPUPJNM-INIZCTEOSA-N 1 3 301.365 2.244 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)N[C@@H]1CCCc2ccccc21 ZINC001219560408 802345394 /nfs/dbraw/zinc/34/53/94/802345394.db2.gz UPYKEEKXPYFYGP-DLBZAZTESA-N 1 3 303.450 2.239 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001220469154 802465175 /nfs/dbraw/zinc/46/51/75/802465175.db2.gz NWZRBLWYJKOYJH-YESZJQIVSA-N 1 3 321.440 2.293 20 0 DEADHO N[C@@H](CC1CCC1)C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001220916941 802512686 /nfs/dbraw/zinc/51/26/86/802512686.db2.gz HDTJLFLALDDEMF-IRXDYDNUSA-N 1 3 307.482 2.275 20 0 DEADHO N[C@@H](CC1CCC1)C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001220916941 802512691 /nfs/dbraw/zinc/51/26/91/802512691.db2.gz HDTJLFLALDDEMF-IRXDYDNUSA-N 1 3 307.482 2.275 20 0 DEADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@@H]1CCCC[NH2+]C1 ZINC001221062854 802525664 /nfs/dbraw/zinc/52/56/64/802525664.db2.gz CSRRNPYDLYFEQF-MSOLQXFVSA-N 1 3 315.461 2.157 20 0 DEADHO O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)c1csc2c1CCNC2 ZINC001221251635 802542767 /nfs/dbraw/zinc/54/27/67/802542767.db2.gz FXTWRVGASDXTGS-QGZVFWFLSA-N 1 3 319.474 2.046 20 0 DEADHO CC(C)P(CCNC(=O)CCCCNC(N)=[NH2+])C(C)C ZINC001221254859 802544590 /nfs/dbraw/zinc/54/45/90/802544590.db2.gz XMINWMMUZCLYQZ-UHFFFAOYSA-N 1 3 302.403 2.055 20 0 DEADHO CC[C@H](C)C[NH+]1CCC(CNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001223464854 802792105 /nfs/dbraw/zinc/79/21/05/802792105.db2.gz CIWQCVBLRJSRSX-WMLDXEAASA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@H](F)CN1CCC(CNC(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001223653900 802806658 /nfs/dbraw/zinc/80/66/58/802806658.db2.gz GEGMJRSCSOYORD-HNNXBMFYSA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@H](F)CN1CCC(CNC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001223653900 802806663 /nfs/dbraw/zinc/80/66/63/802806663.db2.gz GEGMJRSCSOYORD-HNNXBMFYSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)=CC[NH+]1CCC(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001224402483 802864239 /nfs/dbraw/zinc/86/42/39/802864239.db2.gz JQJXVGHADJTLDJ-QGZVFWFLSA-N 1 3 309.498 2.367 20 0 DEADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/Cl)C1CCC1 ZINC001226817909 803164579 /nfs/dbraw/zinc/16/45/79/803164579.db2.gz KRWBYBAHPDWOLO-JXSYMDBTSA-N 1 3 313.873 2.240 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1)N(C)C ZINC001226922305 803176427 /nfs/dbraw/zinc/17/64/27/803176427.db2.gz OCBSRFMEJYRRGT-ZACQAIPSSA-N 1 3 309.498 2.390 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H]1CCCCCN(C(=O)CN(C)C(C)C)C1 ZINC001417839839 1167247626 /nfs/dbraw/zinc/24/76/26/1167247626.db2.gz ZRCKBDOGHHSGQO-CVEARBPZSA-N 1 3 315.477 2.436 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2C[N@H+](C)CCCF)C1 ZINC001417857937 1167264330 /nfs/dbraw/zinc/26/43/30/1167264330.db2.gz NLKMMSKNAMYKSG-HOTGVXAUSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2C[N@@H+](C)CCCF)C1 ZINC001417857937 1167264337 /nfs/dbraw/zinc/26/43/37/1167264337.db2.gz NLKMMSKNAMYKSG-HOTGVXAUSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC(F)(F)F)C1)N(C)C ZINC001418726826 1167918032 /nfs/dbraw/zinc/91/80/32/1167918032.db2.gz XXLZNGOGHCMEQM-YNEHKIRRSA-N 1 3 323.403 2.154 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001420030508 1169081313 /nfs/dbraw/zinc/08/13/13/1169081313.db2.gz ZMHWBYYFJHJQEY-OLZOCXBDSA-N 1 3 323.403 2.296 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccsc2)C(C)(C)C1 ZINC001403831516 1163237349 /nfs/dbraw/zinc/23/73/49/1163237349.db2.gz STZSRQZQJCDKCI-OAHLLOKOSA-N 1 3 323.506 2.417 20 0 DEADHO CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)CC1CC(C)(C)C1 ZINC001403914225 1163289232 /nfs/dbraw/zinc/28/92/32/1163289232.db2.gz PVHJLXHVRXMFBG-OAHLLOKOSA-N 1 3 309.498 2.203 20 0 DEADHO CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)CC1CC(C)(C)C1 ZINC001403914225 1163289245 /nfs/dbraw/zinc/28/92/45/1163289245.db2.gz PVHJLXHVRXMFBG-OAHLLOKOSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[N@H+](C)CCCF ZINC001368937480 1148788525 /nfs/dbraw/zinc/78/85/25/1148788525.db2.gz BUASGMBPPMZWDY-CQSZACIVSA-N 1 3 301.450 2.047 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[N@@H+](C)CCCF ZINC001368937480 1148788536 /nfs/dbraw/zinc/78/85/36/1148788536.db2.gz BUASGMBPPMZWDY-CQSZACIVSA-N 1 3 301.450 2.047 20 0 DEADHO C[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)[N@@H+](C)CC1CCC1 ZINC001425022855 1174120793 /nfs/dbraw/zinc/12/07/93/1174120793.db2.gz GFFRHYSSBVNTSS-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001604054923 1070189527 /nfs/dbraw/zinc/18/95/27/1070189527.db2.gz MTKZINMIKMIXIP-DFBGVHRSSA-N 1 3 300.410 2.035 20 0 DEADHO CC[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001604054923 1070189532 /nfs/dbraw/zinc/18/95/32/1070189532.db2.gz MTKZINMIKMIXIP-DFBGVHRSSA-N 1 3 300.410 2.035 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(C)cc1 ZINC001368996363 1148822498 /nfs/dbraw/zinc/82/24/98/1148822498.db2.gz PNIGVPWMFMBDDB-MRXNPFEDSA-N 1 3 305.466 2.273 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(C)cc1 ZINC001368996363 1148822499 /nfs/dbraw/zinc/82/24/99/1148822499.db2.gz PNIGVPWMFMBDDB-MRXNPFEDSA-N 1 3 305.466 2.273 20 0 DEADHO CC[C@H](F)C[N@@H+]1CCC[C@@H](NC(=O)CN(C)C(C)C)CC1 ZINC001368529911 1148479805 /nfs/dbraw/zinc/47/98/05/1148479805.db2.gz ZJHGJSXIQCFTGB-LSDHHAIUSA-N 1 3 301.450 2.045 20 0 DEADHO CC[C@H](F)C[N@H+]1CCC[C@@H](NC(=O)CN(C)C(C)C)CC1 ZINC001368529911 1148479806 /nfs/dbraw/zinc/47/98/06/1148479806.db2.gz ZJHGJSXIQCFTGB-LSDHHAIUSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)=CC[NH2+]CC1CC(NC(=O)CN(C)CC(C)(C)C)C1 ZINC001328914924 1148847476 /nfs/dbraw/zinc/84/74/76/1148847476.db2.gz CATPLQAKYJALAM-UHFFFAOYSA-N 1 3 309.498 2.415 20 0 DEADHO CCC(CC)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](CC)N(C)C)[C@@H]2C1 ZINC001369137586 1148855442 /nfs/dbraw/zinc/85/54/42/1148855442.db2.gz HQTZJOCZXQRLSW-NXOAAHMSSA-N 1 3 309.498 2.057 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](CC)N(C)C)[C@@H]2C1 ZINC001369137586 1148855443 /nfs/dbraw/zinc/85/54/43/1148855443.db2.gz HQTZJOCZXQRLSW-NXOAAHMSSA-N 1 3 309.498 2.057 20 0 DEADHO CC[C@H](C(=O)N[C@H](C[NH2+]C/C=C/Cl)C1CCCC1)N(C)C ZINC001500097142 1058487637 /nfs/dbraw/zinc/48/76/37/1058487637.db2.gz QBANGNJWBJGCHD-FSQQNCNXSA-N 1 3 315.889 2.344 20 0 DEADHO Cc1cc(CN2CC[C@](C)(NC(=O)CC[NH+](C)C)C2)cs1 ZINC001500258114 1058645453 /nfs/dbraw/zinc/64/54/53/1058645453.db2.gz PFKSTMNPIAUFPB-INIZCTEOSA-N 1 3 309.479 2.089 20 0 DEADHO CC(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001500353790 1058719795 /nfs/dbraw/zinc/71/97/95/1058719795.db2.gz DFAOJCDDJMWRIA-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](CC[NH+](C)C)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC001468856319 1059861457 /nfs/dbraw/zinc/86/14/57/1059861457.db2.gz GFJSSARWXCQTSL-AWEZNQCLSA-N 1 3 311.495 2.226 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C1C[NH+](Cc2cccc(C)c2)C1)N(C)C ZINC001369169954 1148860496 /nfs/dbraw/zinc/86/04/96/1148860496.db2.gz VDTDXQWQXAQRGQ-CRAIPNDOSA-N 1 3 317.477 2.272 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001502753545 1060272210 /nfs/dbraw/zinc/27/22/10/1060272210.db2.gz BFIAPHKJTJSCHO-FUHWJXTLSA-N 1 3 317.477 2.273 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001369179094 1148862340 /nfs/dbraw/zinc/86/23/40/1148862340.db2.gz GXVUZJUHXKJVQA-KOMQPUFPSA-N 1 3 309.498 2.249 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC001505736777 1060916837 /nfs/dbraw/zinc/91/68/37/1060916837.db2.gz WHAWWWKNLFJDCD-UONOGXRCSA-N 1 3 309.429 2.150 20 0 DEADHO CN(C[C@H]1CCN1CCCCCF)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001479260152 1061340918 /nfs/dbraw/zinc/34/09/18/1061340918.db2.gz GRQPSFRSUSELFB-HZPDHXFCSA-N 1 3 313.461 2.001 20 0 DEADHO CN(C[C@H]1CCN1CCCCCF)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001479260152 1061340937 /nfs/dbraw/zinc/34/09/37/1061340937.db2.gz GRQPSFRSUSELFB-HZPDHXFCSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001479315766 1061388375 /nfs/dbraw/zinc/38/83/75/1061388375.db2.gz QKASINZNBKTWGY-HRCADAONSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2CCC[N@H+](CC3CC3)[C@H]2C1(C)C ZINC001479614601 1061524450 /nfs/dbraw/zinc/52/44/50/1061524450.db2.gz RPWFFSWBSCBFQG-KBAYOESNSA-N 1 3 321.509 2.342 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2CCC[N@@H+](CC3CC3)[C@H]2C1(C)C ZINC001479614601 1061524467 /nfs/dbraw/zinc/52/44/67/1061524467.db2.gz RPWFFSWBSCBFQG-KBAYOESNSA-N 1 3 321.509 2.342 20 0 DEADHO CC[N@H+](CCCNC(=O)CN1CC[C@@H](C)C1)Cc1ccsc1 ZINC001479854976 1061920555 /nfs/dbraw/zinc/92/05/55/1061920555.db2.gz QNNKLCYHMKFDPO-OAHLLOKOSA-N 1 3 323.506 2.418 20 0 DEADHO CC[N@@H+](CCCNC(=O)CN1CC[C@@H](C)C1)Cc1ccsc1 ZINC001479854976 1061920577 /nfs/dbraw/zinc/92/05/77/1061920577.db2.gz QNNKLCYHMKFDPO-OAHLLOKOSA-N 1 3 323.506 2.418 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CC23CC[NH+](CC2CCC2)CC3)CCC1 ZINC001479981235 1062143981 /nfs/dbraw/zinc/14/39/81/1062143981.db2.gz NLBBAWOPWQBTNN-MRXNPFEDSA-N 1 3 319.493 2.242 20 0 DEADHO CC(C)CC[NH2+][C@H](CNC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001480038429 1062222540 /nfs/dbraw/zinc/22/25/40/1062222540.db2.gz IGNKLMSMBKBCQV-MRXNPFEDSA-N 1 3 309.498 2.391 20 0 DEADHO CN(CCF)C[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001480087831 1062309448 /nfs/dbraw/zinc/30/94/48/1062309448.db2.gz RGAQVXRHMHBTHE-INIZCTEOSA-N 1 3 313.461 2.002 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[N@@H+](C(C)C)CC1(C)C)N1CCCC1 ZINC001506753079 1062367333 /nfs/dbraw/zinc/36/73/33/1062367333.db2.gz NBSPLLINIMXCLG-HOTGVXAUSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[N@H+](C(C)C)CC1(C)C)N1CCCC1 ZINC001506753079 1062367357 /nfs/dbraw/zinc/36/73/57/1062367357.db2.gz NBSPLLINIMXCLG-HOTGVXAUSA-N 1 3 309.498 2.342 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H](NCc2cncs2)C1)[NH+](CC)CC ZINC001480156761 1062403392 /nfs/dbraw/zinc/40/33/92/1062403392.db2.gz FRTVYPXETVRYSD-YDHLFZDLSA-N 1 3 324.494 2.000 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001480254506 1062535471 /nfs/dbraw/zinc/53/54/71/1062535471.db2.gz COWRNHDMSVKVNH-IRXDYDNUSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001480254506 1062535489 /nfs/dbraw/zinc/53/54/89/1062535489.db2.gz COWRNHDMSVKVNH-IRXDYDNUSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)c1cccc(CN[C@H](C)CN(C)C(=O)CC[NH+](C)C)n1 ZINC001507117360 1062861351 /nfs/dbraw/zinc/86/13/51/1062861351.db2.gz HFBFWFPUEFQNIV-OAHLLOKOSA-N 1 3 320.481 2.093 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C1(N(C)C)CCC1 ZINC001480827174 1063409364 /nfs/dbraw/zinc/40/93/64/1063409364.db2.gz YCUVRQPGMHBCLS-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)C1(N(C)C)CCC1 ZINC001480827174 1063409370 /nfs/dbraw/zinc/40/93/70/1063409370.db2.gz YCUVRQPGMHBCLS-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CCC1 ZINC001480832555 1063421143 /nfs/dbraw/zinc/42/11/43/1063421143.db2.gz BGMODAGALIPNII-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[C@@H]1CCC[N@H+]1CC1CCC1 ZINC001480832555 1063421154 /nfs/dbraw/zinc/42/11/54/1063421154.db2.gz BGMODAGALIPNII-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001508064508 1063530972 /nfs/dbraw/zinc/53/09/72/1063530972.db2.gz USRYURMJLYQEDC-OAHLLOKOSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CCN(C/C=C\Cl)C1)[NH+]1CCCC1 ZINC001493224048 1063648890 /nfs/dbraw/zinc/64/88/90/1063648890.db2.gz UZBSPSHHGSFCIS-VSKVDJIOSA-N 1 3 313.873 2.051 20 0 DEADHO CN(CCF)C[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001494163205 1064150230 /nfs/dbraw/zinc/15/02/30/1064150230.db2.gz NUQNGJUXWFZKKE-INIZCTEOSA-N 1 3 321.440 2.112 20 0 DEADHO CC(C)(C)CC[NH+]1CC(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001494577579 1064330522 /nfs/dbraw/zinc/33/05/22/1064330522.db2.gz RITDKQIIYBCCEL-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC2C[NH+](CCC3=CCCCC3)C2)C1 ZINC001494594943 1064341124 /nfs/dbraw/zinc/34/11/24/1064341124.db2.gz XFBCAOWFXMSBDL-INIZCTEOSA-N 1 3 319.493 2.267 20 0 DEADHO CC/C=C/CC[NH2+][C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001567757092 1064405661 /nfs/dbraw/zinc/40/56/61/1064405661.db2.gz AYFLPLWVZLEFFC-XLYSIVADSA-N 1 3 307.482 2.265 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@H](CC[NH2+]CC3CCC3)C2)CCC1 ZINC001568058617 1064624915 /nfs/dbraw/zinc/62/49/15/1064624915.db2.gz XNQYQSYSXBBQEN-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@H](C(=O)N[C@](C)(C[NH2+]CCC(F)(F)F)C1CC1)N(C)C ZINC001495293546 1064812753 /nfs/dbraw/zinc/81/27/53/1064812753.db2.gz NLTMCDDUEHASMB-TZMCWYRMSA-N 1 3 323.403 2.154 20 0 DEADHO CN(CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]C/C=C\Cl)C1CCC1 ZINC001568528861 1064939939 /nfs/dbraw/zinc/93/99/39/1064939939.db2.gz RQIDKBIPCCMSGT-BYGSIBNDSA-N 1 3 313.873 2.098 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)NCc2ccc(CNC/C=C/Cl)cc2)C1 ZINC001495498574 1064947464 /nfs/dbraw/zinc/94/74/64/1064947464.db2.gz VMJXAZJYSSLIMK-WLAUZSQPSA-N 1 3 321.852 2.097 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)NCc2ccc(CNC/C=C/Cl)cc2)C1 ZINC001495498574 1064947479 /nfs/dbraw/zinc/94/74/79/1064947479.db2.gz VMJXAZJYSSLIMK-WLAUZSQPSA-N 1 3 321.852 2.097 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cccc(F)c1)N(C)C ZINC001568699960 1065060069 /nfs/dbraw/zinc/06/00/69/1065060069.db2.gz IXRNZZKECISNPL-YOEHRIQHSA-N 1 3 323.456 2.396 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)CC[NH2+]Cc1ccc(F)cc1 ZINC001568714093 1065068656 /nfs/dbraw/zinc/06/86/56/1065068656.db2.gz OGUUVDUWOVIVIB-CQSZACIVSA-N 1 3 309.429 2.150 20 0 DEADHO CCCN(C)CC(=O)N1CCC2(C[NH+](C[C@@H](C)CC)C2)CC1 ZINC001495984774 1065205867 /nfs/dbraw/zinc/20/58/67/1065205867.db2.gz BZIZKMCECHAIFF-INIZCTEOSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]CC[C@H]1CCCC1(F)F ZINC001569038366 1065252298 /nfs/dbraw/zinc/25/22/98/1065252298.db2.gz JYPCMKCFBSSLIK-ZIAGYGMSSA-N 1 3 319.440 2.246 20 0 DEADHO C[C@H](C[NH2+]CCC1CCCC1)N(C)C(=O)CN(C)C1CCC1 ZINC001496080362 1065265700 /nfs/dbraw/zinc/26/57/00/1065265700.db2.gz MIZYLFGVVNYUGI-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCCF ZINC001496170793 1065318773 /nfs/dbraw/zinc/31/87/73/1065318773.db2.gz RTFQCHOUCCZKGO-CABCVRRESA-N 1 3 301.450 2.045 20 0 DEADHO C[C@H](C[NH2+]CCCCC(F)(F)F)N(C)C(=O)CN1CCCC1 ZINC001496229153 1065350282 /nfs/dbraw/zinc/35/02/82/1065350282.db2.gz FWZXTXAILJECBB-CYBMUJFWSA-N 1 3 323.403 2.251 20 0 DEADHO C[C@H](C[NH2+]Cc1cccc(Cl)c1)N(C)C(=O)CN1CCCC1 ZINC001496230347 1065351621 /nfs/dbraw/zinc/35/16/21/1065351621.db2.gz UVMPUUBUNFLYFV-CQSZACIVSA-N 1 3 323.868 2.372 20 0 DEADHO Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCCN2C)c(C)c1 ZINC001569188020 1065352343 /nfs/dbraw/zinc/35/23/43/1065352343.db2.gz AWRCOIGWJOKKQE-SFHVURJKSA-N 1 3 317.477 2.336 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]C/C=C\Cl ZINC001496402717 1065449817 /nfs/dbraw/zinc/44/98/17/1065449817.db2.gz DDFRJQVXPDYFTQ-LGIYYPAKSA-N 1 3 313.873 2.194 20 0 DEADHO CN(C)C1(C(=O)N(C)CC[N@H+](C)C[C@@H]2CC[C@H]3C[C@H]3C2)CCC1 ZINC001496716998 1065668808 /nfs/dbraw/zinc/66/88/08/1065668808.db2.gz AQTXHJNUDSNXGM-IXDOHACOSA-N 1 3 321.509 2.297 20 0 DEADHO CN(C)C1(C(=O)N(C)CC[N@@H+](C)C[C@@H]2CC[C@H]3C[C@H]3C2)CCC1 ZINC001496716998 1065668824 /nfs/dbraw/zinc/66/88/24/1065668824.db2.gz AQTXHJNUDSNXGM-IXDOHACOSA-N 1 3 321.509 2.297 20 0 DEADHO CCCCC[N@H+]1C[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C1 ZINC001569880951 1065789305 /nfs/dbraw/zinc/78/93/05/1065789305.db2.gz AUGGPRCZNCERRV-HDICACEKSA-N 1 3 321.509 2.299 20 0 DEADHO CCCCC[N@@H+]1C[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C1 ZINC001569880951 1065789314 /nfs/dbraw/zinc/78/93/14/1065789314.db2.gz AUGGPRCZNCERRV-HDICACEKSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](CC[NH2+]CC2CC(C)C2)C1 ZINC001570022654 1065886013 /nfs/dbraw/zinc/88/60/13/1065886013.db2.gz YTGNIDYWJJDHGC-AQFXKWCLSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](CN)C2)C1 ZINC001575231181 1066230283 /nfs/dbraw/zinc/23/02/83/1066230283.db2.gz BZKXKSMMELISIU-SOUVJXGZSA-N 1 3 311.470 2.351 20 0 DEADHO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](CN)C2)C1 ZINC001575231181 1066230299 /nfs/dbraw/zinc/23/02/99/1066230299.db2.gz BZKXKSMMELISIU-SOUVJXGZSA-N 1 3 311.470 2.351 20 0 DEADHO CC(C)(C)Oc1cccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC001575257734 1066243420 /nfs/dbraw/zinc/24/34/20/1066243420.db2.gz AFUOHOVNZJRBRV-KRWDZBQOSA-N 1 3 317.477 2.343 20 0 DEADHO CC(C)(CNC(=O)C[C@@H]1NCc2ccccc21)C[NH+]1CCCC1 ZINC001575323832 1066266409 /nfs/dbraw/zinc/26/64/09/1066266409.db2.gz YQFMXXDLJZTRSH-KRWDZBQOSA-N 1 3 315.461 2.459 20 0 DEADHO C[C@H](C[C@H]1CCC[NH2+]1)NCC[C@@H](O)COCc1ccccc1 ZINC001575941166 1066462017 /nfs/dbraw/zinc/46/20/17/1066462017.db2.gz LBJVXZWSUNVUMD-KBAYOESNSA-N 1 3 306.450 2.074 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001498050251 1066480082 /nfs/dbraw/zinc/48/00/82/1066480082.db2.gz ARDJSEVFYNSDDF-HNNXBMFYSA-N 1 3 303.450 2.074 20 0 DEADHO C[C@H](N)[C@H]1CCCC[N@@H+]1C[C@@H](O)CCOCc1ccccc1 ZINC001576116835 1066497138 /nfs/dbraw/zinc/49/71/38/1066497138.db2.gz AVJSOVJSHZRHFW-RYQLBKOJSA-N 1 3 306.450 2.156 20 0 DEADHO C[C@H](N)[C@H]1CCCC[N@H+]1C[C@@H](O)CCOCc1ccccc1 ZINC001576116835 1066497143 /nfs/dbraw/zinc/49/71/43/1066497143.db2.gz AVJSOVJSHZRHFW-RYQLBKOJSA-N 1 3 306.450 2.156 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC001576311518 1066558099 /nfs/dbraw/zinc/55/80/99/1066558099.db2.gz QZUQQHFICWVQIL-CYGHRXIMSA-N 1 3 315.461 2.184 20 0 DEADHO CC1(C)[C@@H]2NCCC[C@H]2[C@H]1[NH2+]C1CCN(c2ccccn2)CC1 ZINC001576383297 1066582914 /nfs/dbraw/zinc/58/29/14/1066582914.db2.gz IEMDFBMMQISHFW-KBAYOESNSA-N 1 3 314.477 2.417 20 0 DEADHO C[C@@H]1CCN(C[C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C[NH3+] ZINC001576729651 1066672477 /nfs/dbraw/zinc/67/24/77/1066672477.db2.gz UOXMPICCDFBQCO-KFWWJZLASA-N 1 3 311.470 2.160 20 0 DEADHO C[C@@H]1CC[N@H+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1CN ZINC001576729651 1066672481 /nfs/dbraw/zinc/67/24/81/1066672481.db2.gz UOXMPICCDFBQCO-KFWWJZLASA-N 1 3 311.470 2.160 20 0 DEADHO C[C@@H]1CC[N@@H+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1CN ZINC001576729651 1066672484 /nfs/dbraw/zinc/67/24/84/1066672484.db2.gz UOXMPICCDFBQCO-KFWWJZLASA-N 1 3 311.470 2.160 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)c2ccc(CC[NH3+])cc2)CC1 ZINC001576940032 1066728484 /nfs/dbraw/zinc/72/84/84/1066728484.db2.gz AFSWORVIPWSKHI-UHFFFAOYSA-N 1 3 303.450 2.134 20 0 DEADHO C[NH+](C)[C@@H]1C[C@@H](NC(=O)C[C@@H](N)c2ccccc2)C12CCC2 ZINC001578411209 1067089370 /nfs/dbraw/zinc/08/93/70/1067089370.db2.gz RARKJXBICJVLPB-BZUAXINKSA-N 1 3 301.434 2.066 20 0 DEADHO CN(C)C[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])[C@@H]2C[C@@H]21)c1ccc(Cl)cc1 ZINC001578412169 1067089684 /nfs/dbraw/zinc/08/96/84/1067089684.db2.gz GTGMVAXJSDWCLT-NPJQDHAYSA-N 1 3 321.852 2.042 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)[C@H](N)C3CCCCC3)C[C@H]2C1 ZINC001578410687 1067090802 /nfs/dbraw/zinc/09/08/02/1067090802.db2.gz JRMQQECPZTZQQW-QBPKDAKJSA-N 1 3 307.482 2.083 20 0 DEADHO CN(CCC[NH+]1CCCC1)C(=O)C[C@@H]1NCc2ccccc21 ZINC001578468102 1067111627 /nfs/dbraw/zinc/11/16/27/1067111627.db2.gz FGJVRGFQVPNEAG-KRWDZBQOSA-N 1 3 301.434 2.165 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC001578529253 1067126079 /nfs/dbraw/zinc/12/60/79/1067126079.db2.gz SDXGANFJWXWBBP-SJORKVTESA-N 1 3 315.461 2.279 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC001578529252 1067127169 /nfs/dbraw/zinc/12/71/69/1067127169.db2.gz SDXGANFJWXWBBP-IRXDYDNUSA-N 1 3 315.461 2.279 20 0 DEADHO CNC[C@H](O)C[NH2+][C@@H](COc1c(C)cccc1C)C(C)(C)C ZINC001578654008 1067144830 /nfs/dbraw/zinc/14/48/30/1067144830.db2.gz GSYVLMUTMKLGPB-HOTGVXAUSA-N 1 3 308.466 2.267 20 0 DEADHO COCCOCc1ccc(CN2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC001579074019 1067230209 /nfs/dbraw/zinc/23/02/09/1067230209.db2.gz QZOFWXNHBQIATH-YJBOKZPZSA-N 1 3 306.450 2.409 20 0 DEADHO C[C@@H]([NH2+]CC1(CN)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001579414500 1067333878 /nfs/dbraw/zinc/33/38/78/1067333878.db2.gz HSSAYOBYFCFHOB-CYBMUJFWSA-N 1 3 311.470 2.351 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)C[C@H]3CC[C@@H]([NH3+])C3)C2)cc1 ZINC001579691312 1067405110 /nfs/dbraw/zinc/40/51/10/1067405110.db2.gz VZUYHAPDRQUSDP-RCCFBDPRSA-N 1 3 315.461 2.203 20 0 DEADHO FC1(c2ccccn2)CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC001580028492 1067474846 /nfs/dbraw/zinc/47/48/46/1067474846.db2.gz ZLAYSXCLDDIKID-DOTOQJQBSA-N 1 3 319.424 2.111 20 0 DEADHO Cc1cc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCCN2C)cs1 ZINC001483456081 1078545091 /nfs/dbraw/zinc/54/50/91/1078545091.db2.gz MEMYOKNJSNPCBJ-HNNXBMFYSA-N 1 3 309.479 2.089 20 0 DEADHO C[C@H]1CCC[C@H](CC[NH2+]CCN(C)C(=O)CN2CCCC2)C1 ZINC001267081764 1078555074 /nfs/dbraw/zinc/55/50/74/1078555074.db2.gz RXSJXSHLYXEGGZ-DLBZAZTESA-N 1 3 309.498 2.347 20 0 DEADHO CC[C@H](C(=O)N(C)[C@H](C[NH2+]Cc1ccsc1)C1CC1)N(C)C ZINC001369230364 1148875457 /nfs/dbraw/zinc/87/54/57/1148875457.db2.gz QLOYRGUDQAKOCD-HZPDHXFCSA-N 1 3 323.506 2.415 20 0 DEADHO CC(C)=CC[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001483581015 1078610411 /nfs/dbraw/zinc/61/04/11/1078610411.db2.gz WWRYFFQJUVOMBL-INIZCTEOSA-N 1 3 307.482 2.311 20 0 DEADHO CN(C)C1(C(=O)N(C)[C@H](C[NH2+]C/C=C/Cl)C2CC2)CCC1 ZINC001571361511 1068246920 /nfs/dbraw/zinc/24/69/20/1068246920.db2.gz PXDUAIQMEWWHMH-AZWQULSGSA-N 1 3 313.873 2.050 20 0 DEADHO CC(C)=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001571367197 1068251269 /nfs/dbraw/zinc/25/12/69/1068251269.db2.gz DIBBHUHASMCBDR-DOTOQJQBSA-N 1 3 307.482 2.121 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCCCCF)C[C@H]1C ZINC001571493546 1068351537 /nfs/dbraw/zinc/35/15/37/1068351537.db2.gz SFKJAGXSZXFTGC-CABCVRRESA-N 1 3 301.450 2.045 20 0 DEADHO CC[C@H](C(=O)NCC1=CC[N@H+](CC2CC(C)C2)CC1)N(C)C ZINC001571698769 1068488525 /nfs/dbraw/zinc/48/85/25/1068488525.db2.gz QIEOYDQHBHDZQS-BDVYOWHSSA-N 1 3 307.482 2.121 20 0 DEADHO CC[C@H](C(=O)NCC1=CC[N@@H+](CC2CC(C)C2)CC1)N(C)C ZINC001571698769 1068488528 /nfs/dbraw/zinc/48/85/28/1068488528.db2.gz QIEOYDQHBHDZQS-BDVYOWHSSA-N 1 3 307.482 2.121 20 0 DEADHO CCCCCN1CC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001483691183 1078805872 /nfs/dbraw/zinc/80/58/72/1078805872.db2.gz CKZLIHKVBSPTIO-SFHVURJKSA-N 1 3 321.509 2.489 20 0 DEADHO CCN(C[C@]1(O)CCC[NH2+]C1)[C@H](C)Cc1ccc(OC)cc1 ZINC001573770881 1069101844 /nfs/dbraw/zinc/10/18/44/1069101844.db2.gz DGAOXQBQNBPTSV-QAPCUYQASA-N 1 3 306.450 2.063 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+]CCC1CCCC1 ZINC001267474753 1078895659 /nfs/dbraw/zinc/89/56/59/1078895659.db2.gz UIVKBUBMOUDZCN-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CCCN(C(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@@H+]2C1)[C@H]1CCN(C)C1 ZINC001548724420 1072842848 /nfs/dbraw/zinc/84/28/48/1072842848.db2.gz LYUJSMPEJDYTJM-HZMVEIRTSA-N 1 3 307.482 2.050 20 0 DEADHO CCCN(C(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@H+]2C1)[C@H]1CCN(C)C1 ZINC001548724420 1072842852 /nfs/dbraw/zinc/84/28/52/1072842852.db2.gz LYUJSMPEJDYTJM-HZMVEIRTSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@]1(c2nc(-c3ccc(CN(C)C)cc3)no2)CC[NH2+]C1 ZINC001645871418 1079033848 /nfs/dbraw/zinc/03/38/48/1079033848.db2.gz DUUGCWHIYSEAJL-KRWDZBQOSA-N 1 3 300.406 2.439 20 0 DEADHO CCCN1CCCC[C@@H]1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC001645892383 1079040854 /nfs/dbraw/zinc/04/08/54/1079040854.db2.gz DPZMSJYRDVGPSM-QGZVFWFLSA-N 1 3 301.434 2.171 20 0 DEADHO [NH3+][C@H]1C[C@@H]1c1ccc(NCc2nc3c(s2)CNCC3)cc1 ZINC001549920411 1073335360 /nfs/dbraw/zinc/33/53/60/1073335360.db2.gz YHHJNXOEDDTGPP-OLZOCXBDSA-N 1 3 300.431 2.216 20 0 DEADHO [NH3+][C@@H]1C[C@@H]1c1ccc(NCc2nc3c(s2)CNCC3)cc1 ZINC001549920410 1073335510 /nfs/dbraw/zinc/33/55/10/1073335510.db2.gz YHHJNXOEDDTGPP-CHWSQXEVSA-N 1 3 300.431 2.216 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[NH2+]C[C@@H]2c2ccccc2)c1 ZINC001550078261 1073415835 /nfs/dbraw/zinc/41/58/35/1073415835.db2.gz WKUJSERIOGSPTD-MOPGFXCFSA-N 1 3 323.440 2.234 20 0 DEADHO [NH3+]C[C@@H]1CCN(C(=O)c2ccc3c(c2)CNCC3)c2ccccc21 ZINC001550120044 1073436079 /nfs/dbraw/zinc/43/60/79/1073436079.db2.gz AEQANWZHCLBTJE-INIZCTEOSA-N 1 3 321.424 2.425 20 0 DEADHO CN(CC[NH2+]CC1CCC1)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001649439932 1079119688 /nfs/dbraw/zinc/11/96/88/1079119688.db2.gz KSKGKADKRAQPLO-KRWDZBQOSA-N 1 3 313.461 2.047 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC001483787118 1079120849 /nfs/dbraw/zinc/12/08/49/1079120849.db2.gz OHBYMKZRFDTHKH-ZDUSSCGKSA-N 1 3 317.424 2.002 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3cccnc3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550423410 1073649801 /nfs/dbraw/zinc/64/98/01/1073649801.db2.gz MQEIRSFFIKNFAP-OWSLCNJRSA-N 1 3 303.450 2.041 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3cccnc3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550423410 1073649804 /nfs/dbraw/zinc/64/98/04/1073649804.db2.gz MQEIRSFFIKNFAP-OWSLCNJRSA-N 1 3 303.450 2.041 20 0 DEADHO Cc1c(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)ccnc1F ZINC001550666117 1073783776 /nfs/dbraw/zinc/78/37/76/1073783776.db2.gz PTSHRENLIOYTFA-KONPQCLYSA-N 1 3 321.440 2.098 20 0 DEADHO Cc1c(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)ccnc1F ZINC001550666117 1073783781 /nfs/dbraw/zinc/78/37/81/1073783781.db2.gz PTSHRENLIOYTFA-KONPQCLYSA-N 1 3 321.440 2.098 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[N@H+](CC3CCCCC3)C2)C1 ZINC001481111958 1079196174 /nfs/dbraw/zinc/19/61/74/1079196174.db2.gz MEZSTGFIZDBUGY-SJLPKXTDSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001481111958 1079196176 /nfs/dbraw/zinc/19/61/76/1079196176.db2.gz MEZSTGFIZDBUGY-SJLPKXTDSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)C1CCOCC1 ZINC001551238437 1074127413 /nfs/dbraw/zinc/12/74/13/1074127413.db2.gz SXGPMCLRZZSCOP-FAEJEUNOSA-N 1 3 310.482 2.425 20 0 DEADHO O=C([C@H]1C[C@H]1C1CC[NH2+]CC1)N1CCN(C2CCCCC2)CC1 ZINC001552155994 1074478056 /nfs/dbraw/zinc/47/80/56/1074478056.db2.gz XXBWYVGZDLUILH-ROUUACIJSA-N 1 3 319.493 2.099 20 0 DEADHO CN(C(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CCN(C)C1 ZINC001552234924 1074501824 /nfs/dbraw/zinc/50/18/24/1074501824.db2.gz STROQXXZSUJQMI-ROUUACIJSA-N 1 3 315.461 2.029 20 0 DEADHO CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001484057878 1079279114 /nfs/dbraw/zinc/27/91/14/1079279114.db2.gz MMLITYQTJBAMBN-IAGOWNOFSA-N 1 3 313.461 2.190 20 0 DEADHO CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001484057878 1079279117 /nfs/dbraw/zinc/27/91/17/1079279117.db2.gz MMLITYQTJBAMBN-IAGOWNOFSA-N 1 3 313.461 2.190 20 0 DEADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)[C@H]1CCCC[NH2+]C1 ZINC001552415606 1074571450 /nfs/dbraw/zinc/57/14/50/1074571450.db2.gz FGZXVYDQOFOELS-ROUUACIJSA-N 1 3 315.461 2.329 20 0 DEADHO N[C@@H](C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)C1CCCCCC1 ZINC001646748261 1074596462 /nfs/dbraw/zinc/59/64/62/1074596462.db2.gz KZKUVWAZPRPSHJ-IAGOWNOFSA-N 1 3 307.482 2.132 20 0 DEADHO CN(C(=O)C[C@@H]1NCc2ccccc21)C1(C[NH3+])CCCCC1 ZINC001552920540 1074695111 /nfs/dbraw/zinc/69/51/11/1074695111.db2.gz MHFMHMCXWDAYNW-INIZCTEOSA-N 1 3 301.434 2.341 20 0 DEADHO Cc1cc(N2CCC([NH2+][C@@H]3[C@@H]4CCCN[C@H]4C3(C)C)CC2)n[nH]1 ZINC001553024353 1074740030 /nfs/dbraw/zinc/74/00/30/1074740030.db2.gz ZCGSFYNLRIRZKY-DJIMGWMZSA-N 1 3 317.481 2.053 20 0 DEADHO CC[NH+]1CCC(C)(CNC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001484143767 1079322386 /nfs/dbraw/zinc/32/23/86/1079322386.db2.gz PLFXVFFYKXTGBO-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO N[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)C12CCC2 ZINC001647439062 1074927610 /nfs/dbraw/zinc/92/76/10/1074927610.db2.gz JSVQYRLQAUBRGS-QNWHQSFQSA-N 1 3 306.372 2.330 20 0 DEADHO CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN1CC[C@@H](C)C1 ZINC001565972900 1075211889 /nfs/dbraw/zinc/21/18/89/1075211889.db2.gz NXMXTJRBFQDVKR-ZACQAIPSSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)NCCC[N@H+](C)Cc1ccc(C)cc1)N(C)C ZINC001566492423 1075259961 /nfs/dbraw/zinc/25/99/61/1075259961.db2.gz GZJAULRWZDFXBA-KRWDZBQOSA-N 1 3 305.466 2.273 20 0 DEADHO CC[C@@H](C(=O)NCCC[N@@H+](C)Cc1ccc(C)cc1)N(C)C ZINC001566492423 1075259963 /nfs/dbraw/zinc/25/99/63/1075259963.db2.gz GZJAULRWZDFXBA-KRWDZBQOSA-N 1 3 305.466 2.273 20 0 DEADHO CC(C)CC[NH2+]C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001566895641 1075376892 /nfs/dbraw/zinc/37/68/92/1075376892.db2.gz MDRLBXICTHNHLZ-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CCC(F)(F)F)N(C)C ZINC001566952193 1075397811 /nfs/dbraw/zinc/39/78/11/1075397811.db2.gz ZONYYIIVSFBVOK-QWHCGFSZSA-N 1 3 323.403 2.250 20 0 DEADHO CC(C)CCC[NH2+]C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001567141335 1075442364 /nfs/dbraw/zinc/44/23/64/1075442364.db2.gz ZFZKBOFEPFMTFY-IRXDYDNUSA-N 1 3 309.498 2.203 20 0 DEADHO C[NH+](C)CCCCC(=O)N[C@H]1CCN(CCc2cccs2)C1 ZINC001267732400 1079423114 /nfs/dbraw/zinc/42/31/14/1079423114.db2.gz PDHAGQQUCJQKCM-HNNXBMFYSA-N 1 3 323.506 2.213 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CCC1 ZINC001369299394 1148895078 /nfs/dbraw/zinc/89/50/78/1148895078.db2.gz XXQVKCZKQVHWLI-RDJZCZTQSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(-c2nnn[n-]2)c1 ZINC001589966155 1076539122 /nfs/dbraw/zinc/53/91/22/1076539122.db2.gz ZFTQYPNYDYLFMP-RKLWJJNISA-N 1 3 312.421 2.048 20 0 DEADHO C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(-c2nn[n-]n2)c1 ZINC001589966155 1076539126 /nfs/dbraw/zinc/53/91/26/1076539126.db2.gz ZFTQYPNYDYLFMP-RKLWJJNISA-N 1 3 312.421 2.048 20 0 DEADHO Cc1cc(-c2nnn[n-]2)cc(C)c1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC001591845710 1076793535 /nfs/dbraw/zinc/79/35/35/1076793535.db2.gz CCUKOKQJYOVAKC-UONOGXRCSA-N 1 3 314.437 2.043 20 0 DEADHO Cc1cc(-c2nnn[n-]2)cc(C)c1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC001591845710 1076793538 /nfs/dbraw/zinc/79/35/38/1076793538.db2.gz CCUKOKQJYOVAKC-UONOGXRCSA-N 1 3 314.437 2.043 20 0 DEADHO C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC001609109537 1077763650 /nfs/dbraw/zinc/76/36/50/1077763650.db2.gz DVEXJMOITKSITP-QWRGUYRKSA-N 1 3 306.389 2.174 20 0 DEADHO C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC001609109537 1077763651 /nfs/dbraw/zinc/76/36/51/1077763651.db2.gz DVEXJMOITKSITP-QWRGUYRKSA-N 1 3 306.389 2.174 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)CN1C1CC1 ZINC001650340983 1079542387 /nfs/dbraw/zinc/54/23/87/1079542387.db2.gz JIKWOZVKTHNZAP-BJMQQELFSA-N 1 3 305.466 2.039 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCCC2CCC2)C[C@H]1C ZINC001284024951 1079711375 /nfs/dbraw/zinc/71/13/75/1079711375.db2.gz GAVHPIUPMAXZIA-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2ccc(C)cc2)CCC1 ZINC001484659619 1079715184 /nfs/dbraw/zinc/71/51/84/1079715184.db2.gz OKULOLRKPXKAGV-UHFFFAOYSA-N 1 3 317.477 2.465 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]CCc1cccs1 ZINC001671373832 1079730325 /nfs/dbraw/zinc/73/03/25/1079730325.db2.gz RPRSGHMMEMRXQG-OAHLLOKOSA-N 1 3 323.506 2.213 20 0 DEADHO C[C@@H]([NH2+]CCF)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001481341459 1079736538 /nfs/dbraw/zinc/73/65/38/1079736538.db2.gz HOUJZMKCNLXKST-CQSZACIVSA-N 1 3 315.477 2.151 20 0 DEADHO C[C@@H](F)CC[N@@H+]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001484716256 1079740150 /nfs/dbraw/zinc/74/01/50/1079740150.db2.gz GZOZPWXVPJXYQN-CABCVRRESA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H](F)CC[N@H+]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001484716256 1079740155 /nfs/dbraw/zinc/74/01/55/1079740155.db2.gz GZOZPWXVPJXYQN-CABCVRRESA-N 1 3 313.461 2.190 20 0 DEADHO CCCC[NH2+]C1(CC)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001484816456 1079811113 /nfs/dbraw/zinc/81/11/13/1079811113.db2.gz JJPYHJTUXACIBL-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CCCC[NH2+]C1(CC)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001484816457 1079811188 /nfs/dbraw/zinc/81/11/88/1079811188.db2.gz JJPYHJTUXACIBL-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CCN1CCC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccncc2)C1 ZINC000069160280 1079953860 /nfs/dbraw/zinc/95/38/60/1079953860.db2.gz HDJOABQIWBFWBF-OAHLLOKOSA-N 1 3 313.449 2.304 20 0 DEADHO CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+]C/C=C/Cl)N(C)C ZINC001485253215 1080087626 /nfs/dbraw/zinc/08/76/26/1080087626.db2.gz DFRGNYKXONLRPR-MMQHEFTJSA-N 1 3 303.878 2.153 20 0 DEADHO CC(C)CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001268193593 1080179526 /nfs/dbraw/zinc/17/95/26/1080179526.db2.gz WCRDZUODDGCVKV-HOCLYGCPSA-N 1 3 306.454 2.215 20 0 DEADHO C[C@@H](c1ccccc1)N1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001481655400 1080256643 /nfs/dbraw/zinc/25/66/43/1080256643.db2.gz ZAWVKSAODONHNR-JKSUJKDBSA-N 1 3 315.461 2.137 20 0 DEADHO C[C@@H](c1ccccc1)N1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001481655400 1080256648 /nfs/dbraw/zinc/25/66/48/1080256648.db2.gz ZAWVKSAODONHNR-JKSUJKDBSA-N 1 3 315.461 2.137 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CCCF ZINC001660475956 1080336741 /nfs/dbraw/zinc/33/67/41/1080336741.db2.gz RGNDPVPKXXLEEK-LSDHHAIUSA-N 1 3 301.450 2.047 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([N@H+](C)CC2CCCC2)CC1 ZINC001485767510 1080423658 /nfs/dbraw/zinc/42/36/58/1080423658.db2.gz JDRJLSMZDJTNOA-UHFFFAOYSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([N@@H+](C)CC2CCCC2)CC1 ZINC001485767510 1080423664 /nfs/dbraw/zinc/42/36/64/1080423664.db2.gz JDRJLSMZDJTNOA-UHFFFAOYSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC12CC[NH+](CC=C(C)C)CC2)N(C)C ZINC001661078885 1080439083 /nfs/dbraw/zinc/43/90/83/1080439083.db2.gz QUVFBJIVJUJXCS-CVEARBPZSA-N 1 3 307.482 2.264 20 0 DEADHO CCN(CCNCc1ccsc1)C(=O)C1(C[NH+](C)C)CC1 ZINC001268476425 1080585352 /nfs/dbraw/zinc/58/53/52/1080585352.db2.gz WTMCXQMDPPUASS-UHFFFAOYSA-N 1 3 309.479 2.028 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@](C)(C[NH2+]CC1CC1)C1CC1 ZINC001481932194 1080620550 /nfs/dbraw/zinc/62/05/50/1080620550.db2.gz VFZTXYZLKOSDDB-WMZOPIPTSA-N 1 3 307.482 2.144 20 0 DEADHO CCCCC[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001662700289 1080637042 /nfs/dbraw/zinc/63/70/42/1080637042.db2.gz CCKDUXGXLWOSJG-QGZVFWFLSA-N 1 3 309.498 2.347 20 0 DEADHO CC(C)C[NH2+]Cc1ccc(CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001482034628 1080720754 /nfs/dbraw/zinc/72/07/54/1080720754.db2.gz UPALFIYDFFIIRF-INIZCTEOSA-N 1 3 317.477 2.390 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1CCC[N@@H+]1CC=C(C)C ZINC001663497541 1080757481 /nfs/dbraw/zinc/75/74/81/1080757481.db2.gz FIOIZQZYNAPKQW-HOTGVXAUSA-N 1 3 313.461 2.213 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1CCC[N@H+]1CC=C(C)C ZINC001663497541 1080757488 /nfs/dbraw/zinc/75/74/88/1080757488.db2.gz FIOIZQZYNAPKQW-HOTGVXAUSA-N 1 3 313.461 2.213 20 0 DEADHO CC(C)N(C)CC(=O)NC/C=C\C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001268629968 1080904098 /nfs/dbraw/zinc/90/40/98/1080904098.db2.gz BPYPQTRCSMYNAW-WSNITJDQSA-N 1 3 317.424 2.024 20 0 DEADHO CCCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCN2CCC)CC1(C)C ZINC001284291516 1080996793 /nfs/dbraw/zinc/99/67/93/1080996793.db2.gz GZRXFDHBBXSKRX-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(CC=C(C)C)C1 ZINC001665738482 1081075766 /nfs/dbraw/zinc/07/57/66/1081075766.db2.gz VJGMFWQYUOXFPJ-DLBZAZTESA-N 1 3 307.482 2.217 20 0 DEADHO CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CC=C(C)C)C1 ZINC001665738482 1081075773 /nfs/dbraw/zinc/07/57/73/1081075773.db2.gz VJGMFWQYUOXFPJ-DLBZAZTESA-N 1 3 307.482 2.217 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CC[NH+](CCCF)CC1 ZINC001006444587 1081145071 /nfs/dbraw/zinc/14/50/71/1081145071.db2.gz VXLRDOVNHWXDQA-MRXNPFEDSA-N 1 3 313.461 2.143 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CC=C(Cl)Cl ZINC001666563018 1081162268 /nfs/dbraw/zinc/16/22/68/1081162268.db2.gz GHFCCIDVXFLQTF-NSHDSACASA-N 1 3 322.280 2.132 20 0 DEADHO CC(C)(C(=O)N[C@H]1CCC[C@H]1C[NH2+]CCCF)N1CCCC1 ZINC001667743833 1081283950 /nfs/dbraw/zinc/28/39/50/1081283950.db2.gz LZACUSFUGKLSRI-GJZGRUSLSA-N 1 3 313.461 2.095 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CCC2CCCC2)C1 ZINC001270136681 1081458408 /nfs/dbraw/zinc/45/84/08/1081458408.db2.gz PAUSLXLGISFXDT-FUHWJXTLSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)(C)CCC[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001270136723 1081458536 /nfs/dbraw/zinc/45/85/36/1081458536.db2.gz PYSUCMZHWFIUHT-HNNXBMFYSA-N 1 3 306.454 2.359 20 0 DEADHO CC(C)CC[NH2+]C[C@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001671359442 1081514715 /nfs/dbraw/zinc/51/47/15/1081514715.db2.gz GODKITLGXFKSDC-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CCCCCF)CCN1C(=O)CN1CCCC1 ZINC001671256848 1081588474 /nfs/dbraw/zinc/58/84/74/1081588474.db2.gz LKKQYOOMAMAOBL-CVEARBPZSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001482446928 1081855230 /nfs/dbraw/zinc/85/52/30/1081855230.db2.gz YHMFMMCGOWPCBZ-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[C@](C)(C[NH3+])C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC001648961482 1081946662 /nfs/dbraw/zinc/94/66/62/1081946662.db2.gz BWLVHNVKOKVRRW-PKOBYXMFSA-N 1 3 319.493 2.287 20 0 DEADHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCc1cccs1)N(C)C ZINC001271170155 1081972429 /nfs/dbraw/zinc/97/24/29/1081972429.db2.gz HOHFFSJXKTWXCR-DZGCQCFKSA-N 1 3 311.495 2.067 20 0 DEADHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCc1ccccc1)N(C)C ZINC001271170165 1081972514 /nfs/dbraw/zinc/97/25/14/1081972514.db2.gz HRNRRYKTZKENQP-DOTOQJQBSA-N 1 3 305.466 2.006 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC2=CCCCC2)C1)N(C)C ZINC001266325057 1081973133 /nfs/dbraw/zinc/97/31/33/1081973133.db2.gz JDHHZIKXUHQPGB-IRXDYDNUSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)C1)N(C)C ZINC001266325057 1081973140 /nfs/dbraw/zinc/97/31/40/1081973140.db2.gz JDHHZIKXUHQPGB-IRXDYDNUSA-N 1 3 307.482 2.264 20 0 DEADHO CCCC[C@H](CC)CN1CCC12CN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001271222724 1081994236 /nfs/dbraw/zinc/99/42/36/1081994236.db2.gz FCTPRYHNBRBITJ-DLBZAZTESA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[C@H](CC)CN1CCC12CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001271222724 1081994242 /nfs/dbraw/zinc/99/42/42/1081994242.db2.gz FCTPRYHNBRBITJ-DLBZAZTESA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CCCF ZINC001670582568 1082188644 /nfs/dbraw/zinc/18/86/44/1082188644.db2.gz UUHVOXHNPXZGGE-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001271931025 1082197319 /nfs/dbraw/zinc/19/73/19/1082197319.db2.gz DZGXPJCRGIBZHK-KRWDZBQOSA-N 1 3 319.493 2.338 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001271931025 1082197325 /nfs/dbraw/zinc/19/73/25/1082197325.db2.gz DZGXPJCRGIBZHK-KRWDZBQOSA-N 1 3 319.493 2.338 20 0 DEADHO CC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001266639436 1082240133 /nfs/dbraw/zinc/24/01/33/1082240133.db2.gz ACTFDLQLBKSRPY-LTGVTUIQSA-N 1 3 307.482 2.452 20 0 DEADHO CC(C)=CCN(C)CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001272049370 1082336038 /nfs/dbraw/zinc/33/60/38/1082336038.db2.gz PQMDHEOFOGNVKG-DLBZAZTESA-N 1 3 307.482 2.360 20 0 DEADHO CC(C)=CCN(C)CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001272049370 1082336048 /nfs/dbraw/zinc/33/60/48/1082336048.db2.gz PQMDHEOFOGNVKG-DLBZAZTESA-N 1 3 307.482 2.360 20 0 DEADHO Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001482871637 1082538971 /nfs/dbraw/zinc/53/89/71/1082538971.db2.gz QMBFYLCFMSWNQT-IAGOWNOFSA-N 1 3 317.477 2.321 20 0 DEADHO CCN(CCNC/C=C\Cl)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001482955862 1082577130 /nfs/dbraw/zinc/57/71/30/1082577130.db2.gz WPJKKNYDVBGYEO-CDNLZTBQSA-N 1 3 315.889 2.442 20 0 DEADHO CC[C@H]([NH2+]C/C=C\CNC(=O)CN1CCCC1)c1ccccc1 ZINC001483093682 1082703717 /nfs/dbraw/zinc/70/37/17/1082703717.db2.gz SJZXFJOCZMKNMZ-MJRGOJFPSA-N 1 3 315.461 2.496 20 0 DEADHO C[C@H](C[NH2+]C/C=C/Cl)NC(=O)C(C)(C)N1CCCCC1 ZINC001483129254 1082747895 /nfs/dbraw/zinc/74/78/95/1082747895.db2.gz SWEJEOVGFVKTKI-SBDDDAINSA-N 1 3 301.862 2.098 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001483286314 1083072996 /nfs/dbraw/zinc/07/29/96/1083072996.db2.gz XCESCONZKISXMF-AWEZNQCLSA-N 1 3 316.449 2.104 20 0 DEADHO COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[C@@H]3CN(C)C[C@@H]13)CC2 ZINC001413178110 1083413296 /nfs/dbraw/zinc/41/32/96/1083413296.db2.gz DJDXLLGHPAVHDB-YCEFEEMOSA-N 1 3 300.446 2.482 20 0 DEADHO COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[C@H]3CN(C)C[C@@H]31)CC2 ZINC001413178059 1083413952 /nfs/dbraw/zinc/41/39/52/1083413952.db2.gz DJDXLLGHPAVHDB-QNDJGXFYSA-N 1 3 300.446 2.482 20 0 DEADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC1CC1)CC2 ZINC001107614673 1083521325 /nfs/dbraw/zinc/52/13/25/1083521325.db2.gz HAWHHFXZUHRIFZ-IEBWSBKVSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC1CC1)CC2 ZINC001107614673 1083521333 /nfs/dbraw/zinc/52/13/33/1083521333.db2.gz HAWHHFXZUHRIFZ-IEBWSBKVSA-N 1 3 321.509 2.489 20 0 DEADHO C[NH+](C)CC(C)(C)CN1CC2(C1)CCN(Cc1ccc[nH]1)C2 ZINC001276657723 1083534635 /nfs/dbraw/zinc/53/46/35/1083534635.db2.gz ATXAENXEOSNNGX-UHFFFAOYSA-N 1 3 304.482 2.110 20 0 DEADHO C[NH+]1CCC2(CC1)CN(Cc1cnccc1N)Cc1ccccc12 ZINC001276712925 1083563950 /nfs/dbraw/zinc/56/39/50/1083563950.db2.gz DDEQTUIUJDUZRR-UHFFFAOYSA-N 1 3 322.456 2.473 20 0 DEADHO CCCC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1CC ZINC001276737895 1083579619 /nfs/dbraw/zinc/57/96/19/1083579619.db2.gz CNLXGJGZEPIMDG-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO CN1C[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C(C)(C)C1 ZINC001413639357 1083794147 /nfs/dbraw/zinc/79/41/47/1083794147.db2.gz KHSDKMTZDSMQMS-KRWDZBQOSA-N 1 3 315.461 2.352 20 0 DEADHO CN1CCC[C@@H](N[C@H](C[NH3+])c2ccc(Br)cc2)C1 ZINC001255471754 1083797168 /nfs/dbraw/zinc/79/71/68/1083797168.db2.gz GFPDPESAJISNGI-ZIAGYGMSSA-N 1 3 312.255 2.133 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cncs1 ZINC001229231017 1083928516 /nfs/dbraw/zinc/92/85/16/1083928516.db2.gz LLAIJWUUEBQQOI-HUUCEWRRSA-N 1 3 324.494 2.002 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H](C)F ZINC001229232104 1083929237 /nfs/dbraw/zinc/92/92/37/1083929237.db2.gz XTSMYAMUBTYGLH-RBSFLKMASA-N 1 3 301.450 2.093 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2CCC[N@H+](CCC3CC3)C2)CCC1 ZINC001491109547 1084082698 /nfs/dbraw/zinc/08/26/98/1084082698.db2.gz IUHRIDUUGJCTGX-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2CCC[N@@H+](CCC3CC3)C2)CCC1 ZINC001491109547 1084082708 /nfs/dbraw/zinc/08/27/08/1084082708.db2.gz IUHRIDUUGJCTGX-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+](CCC2CC2)C1)N(C)C ZINC001491119828 1084087026 /nfs/dbraw/zinc/08/70/26/1084087026.db2.gz JFTLPQHHXWQSBP-DLBZAZTESA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CCC2CC2)C1)N(C)C ZINC001491119828 1084087035 /nfs/dbraw/zinc/08/70/35/1084087035.db2.gz JFTLPQHHXWQSBP-DLBZAZTESA-N 1 3 309.498 2.201 20 0 DEADHO CN(C)[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCC1CCC1)C1CC1 ZINC001235352842 1084403303 /nfs/dbraw/zinc/40/33/03/1084403303.db2.gz CHFIEBFHDVIQEA-ROUUACIJSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)[C@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CCCC1CCC1)C1CC1 ZINC001235352842 1084403305 /nfs/dbraw/zinc/40/33/05/1084403305.db2.gz CHFIEBFHDVIQEA-ROUUACIJSA-N 1 3 321.509 2.440 20 0 DEADHO Cc1nc(CN2CCCC23CCN(C[C@H](C)[NH3+])CC3)cs1 ZINC001235487576 1084445814 /nfs/dbraw/zinc/44/58/14/1084445814.db2.gz HCJLXBLTCAHPOI-ZDUSSCGKSA-N 1 3 308.495 2.229 20 0 DEADHO CCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCCN1CC ZINC001485836751 1084455136 /nfs/dbraw/zinc/45/51/36/1084455136.db2.gz HWGREVCCRNSNIJ-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](O)CN1CCC[C@]2(CC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001277957793 1084481163 /nfs/dbraw/zinc/48/11/63/1084481163.db2.gz DIHWSSXUYQGLFR-ZIAGYGMSSA-N 1 3 308.388 2.498 20 0 DEADHO C[C@@H](O)CN1CCC[C@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001277957793 1084481167 /nfs/dbraw/zinc/48/11/67/1084481167.db2.gz DIHWSSXUYQGLFR-ZIAGYGMSSA-N 1 3 308.388 2.498 20 0 DEADHO Cc1ncsc1CN1CCC2(C1)CC[NH+](C[C@H](C)O)CC2 ZINC001277960618 1084494622 /nfs/dbraw/zinc/49/46/22/1084494622.db2.gz KSWFHRLAOKSMGG-ZDUSSCGKSA-N 1 3 309.479 2.120 20 0 DEADHO CC[C@@H]([NH3+])CN1CCN[C@H](c2cccc(Br)c2)C1 ZINC001235794038 1084530387 /nfs/dbraw/zinc/53/03/87/1084530387.db2.gz IZVORIBWCIOEQR-KGLIPLIRSA-N 1 3 312.255 2.133 20 0 DEADHO C[C@@H]1CNCC(F)(F)[C@H]1CN1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001235859268 1084551979 /nfs/dbraw/zinc/55/19/79/1084551979.db2.gz MBJSNRVWSHAKOS-VNQPRFMTSA-N 1 3 309.404 2.124 20 0 DEADHO [NH3+]CCCCN1CC(c2ncn3cc(Br)ccc23)C1 ZINC001235988197 1084582908 /nfs/dbraw/zinc/58/29/08/1084582908.db2.gz ZYNXOJBQQJDSRZ-UHFFFAOYSA-N 1 3 323.238 2.235 20 0 DEADHO CCOC(=O)[C@]12C[N@H+](Cc3ccc(C)s3)C[C@H]1CNCC2 ZINC001236037277 1084595617 /nfs/dbraw/zinc/59/56/17/1084595617.db2.gz FKMCGGQDJHWCIW-CZUORRHYSA-N 1 3 308.447 2.031 20 0 DEADHO CCOC(=O)[C@]12C[N@@H+](Cc3ccc(C)s3)C[C@H]1CNCC2 ZINC001236037277 1084595627 /nfs/dbraw/zinc/59/56/27/1084595627.db2.gz FKMCGGQDJHWCIW-CZUORRHYSA-N 1 3 308.447 2.031 20 0 DEADHO CCOC(=O)[C@]12C[N@H+](Cc3cccc(CC)c3)C[C@H]1CNCC2 ZINC001236042081 1084597981 /nfs/dbraw/zinc/59/79/81/1084597981.db2.gz XSLQMEYTZJDFCA-IEBWSBKVSA-N 1 3 316.445 2.224 20 0 DEADHO CCOC(=O)[C@]12C[N@@H+](Cc3cccc(CC)c3)C[C@H]1CNCC2 ZINC001236042081 1084597986 /nfs/dbraw/zinc/59/79/86/1084597986.db2.gz XSLQMEYTZJDFCA-IEBWSBKVSA-N 1 3 316.445 2.224 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CCCF)C1CC1 ZINC001485839442 1084765027 /nfs/dbraw/zinc/76/50/27/1084765027.db2.gz YYRMMQLDKCSOHK-HOTGVXAUSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)NCCF ZINC001485914298 1084979888 /nfs/dbraw/zinc/97/98/88/1084979888.db2.gz XXLSBQFCPHKOAE-GOEBONIOSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1)NCCF ZINC001485914298 1084979894 /nfs/dbraw/zinc/97/98/94/1084979894.db2.gz XXLSBQFCPHKOAE-GOEBONIOSA-N 1 3 313.461 2.190 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)cc2)C[C@H]1C ZINC001486127922 1085093909 /nfs/dbraw/zinc/09/39/09/1085093909.db2.gz HUYDUZLOJWTORN-PBHICJAKSA-N 1 3 321.440 2.247 20 0 DEADHO Cc1ccc(CN2CCC[C@@H](NC(=O)CC[NH+](C)C)[C@H]2C)cc1 ZINC001486178862 1085108414 /nfs/dbraw/zinc/10/84/14/1085108414.db2.gz GBRGYNAAPURFPN-SJLPKXTDSA-N 1 3 317.477 2.416 20 0 DEADHO CC(C)=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001486203265 1085128758 /nfs/dbraw/zinc/12/87/58/1085128758.db2.gz WERCMBMDPGSZMA-HOTGVXAUSA-N 1 3 307.482 2.311 20 0 DEADHO CN(C(=O)Cc1c[nH]cn1)C1CCC([NH2+]CCC2CC2)CC1 ZINC000963955583 1085130530 /nfs/dbraw/zinc/13/05/30/1085130530.db2.gz OKGHMURWZFFVCG-UHFFFAOYSA-N 1 3 304.438 2.112 20 0 DEADHO CC1CCN(CC(=O)N(C)C2CCC([NH2+]CC3CC3)CC2)CC1 ZINC000964035112 1085155152 /nfs/dbraw/zinc/15/51/52/1085155152.db2.gz NKKUDDBZXJFJMW-UHFFFAOYSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)C1(C(=O)N2C[C@@H]([NH2+]C/C=C/Cl)C(C)(C)C2)CCC1 ZINC001486234285 1085172865 /nfs/dbraw/zinc/17/28/65/1085172865.db2.gz INTFXPQSWPHDNU-YSKGHYERSA-N 1 3 313.873 2.050 20 0 DEADHO C[N@H+](C[C@H]1CCCN1C(=O)Cc1c[nH]cn1)CC1CCCCC1 ZINC000960900987 1085500197 /nfs/dbraw/zinc/50/01/97/1085500197.db2.gz CCMGDKATXFCDKT-QGZVFWFLSA-N 1 3 318.465 2.455 20 0 DEADHO C[N@@H+](C[C@H]1CCCN1C(=O)Cc1c[nH]cn1)CC1CCCCC1 ZINC000960900987 1085500201 /nfs/dbraw/zinc/50/02/01/1085500201.db2.gz CCMGDKATXFCDKT-QGZVFWFLSA-N 1 3 318.465 2.455 20 0 DEADHO CC(C)C[NH2+]C1CC2(CC(NC(=O)CN3CC[C@H](C)C3)C2)C1 ZINC000965061845 1085510489 /nfs/dbraw/zinc/51/04/89/1085510489.db2.gz FZZTVJAZRPUELZ-JFPDKAJLSA-N 1 3 307.482 2.001 20 0 DEADHO CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961189847 1085630063 /nfs/dbraw/zinc/63/00/63/1085630063.db2.gz ZURHCKSTLMKLLW-JKSUJKDBSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961189847 1085630066 /nfs/dbraw/zinc/63/00/66/1085630066.db2.gz ZURHCKSTLMKLLW-JKSUJKDBSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961229138 1085646637 /nfs/dbraw/zinc/64/66/37/1085646637.db2.gz HOPQFFPKXJVKDK-IRXDYDNUSA-N 1 3 321.509 2.299 20 0 DEADHO CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961229138 1085646648 /nfs/dbraw/zinc/64/66/48/1085646648.db2.gz HOPQFFPKXJVKDK-IRXDYDNUSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCC3)C[C@H]21 ZINC000961937782 1085914870 /nfs/dbraw/zinc/91/48/70/1085914870.db2.gz BCIPUXMXTXDAGD-XWTMOSNGSA-N 1 3 319.493 2.096 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCC3)C[C@H]21 ZINC000961937782 1085914884 /nfs/dbraw/zinc/91/48/84/1085914884.db2.gz BCIPUXMXTXDAGD-XWTMOSNGSA-N 1 3 319.493 2.096 20 0 DEADHO Cc1cc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)oc1C ZINC001273013657 1085957194 /nfs/dbraw/zinc/95/71/94/1085957194.db2.gz DRPYIOJWUUTJJI-IAGOWNOFSA-N 1 3 319.449 2.023 20 0 DEADHO CC[N@@H+]1CCO[C@@H]2CN([C@@H]3Cc4cccc(Cl)c4C3)C[C@@H]2C1 ZINC001168732673 1086071935 /nfs/dbraw/zinc/07/19/35/1086071935.db2.gz VGHMVZXXJCHMHS-HDMKZQKVSA-N 1 3 320.864 2.460 20 0 DEADHO CC[N@H+]1CCO[C@@H]2CN([C@@H]3Cc4cccc(Cl)c4C3)C[C@@H]2C1 ZINC001168732673 1086071943 /nfs/dbraw/zinc/07/19/43/1086071943.db2.gz VGHMVZXXJCHMHS-HDMKZQKVSA-N 1 3 320.864 2.460 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)C2CCC([NH2+]CCC3CC3)CC2)C1 ZINC000963902780 1086591676 /nfs/dbraw/zinc/59/16/76/1086591676.db2.gz OKRBYTAXSZHLRS-FAEJEUNOSA-N 1 3 321.509 2.488 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+][C@H](C)c1cccc(C)c1 ZINC001168763870 1087570238 /nfs/dbraw/zinc/57/02/38/1087570238.db2.gz RUIWRCATDLFRQH-MRXNPFEDSA-N 1 3 305.466 2.494 20 0 DEADHO O=C(N1CCN(CC2CCCCCC2)CC1)C12CC[NH+](CC1)C2 ZINC000957342905 1088196295 /nfs/dbraw/zinc/19/62/95/1088196295.db2.gz MSUANELAUKPXHC-UHFFFAOYSA-N 1 3 319.493 2.197 20 0 DEADHO CCC[NH+]1CCC2(CCN(C(=O)[C@H](CC)N(C)C)CC2)CC1 ZINC000957605450 1088451941 /nfs/dbraw/zinc/45/19/41/1088451941.db2.gz CLGNWPSFMJZOMB-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C ZINC001080021697 1088566206 /nfs/dbraw/zinc/56/62/06/1088566206.db2.gz MSHHLRTVMVGPEO-NXHRZFHOSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C ZINC001080021697 1088566219 /nfs/dbraw/zinc/56/62/19/1088566219.db2.gz MSHHLRTVMVGPEO-NXHRZFHOSA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001082589103 1090012462 /nfs/dbraw/zinc/01/24/62/1090012462.db2.gz IMUDTSWIAYQMHI-DJIMGWMZSA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccsc2)C1)N(C)C ZINC001082589402 1090012549 /nfs/dbraw/zinc/01/25/49/1090012549.db2.gz ZUHYSGJBUGOUKU-BPLDGKMQSA-N 1 3 309.479 2.025 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2F)C1)N(C)C ZINC001082589321 1090012640 /nfs/dbraw/zinc/01/26/40/1090012640.db2.gz VTQMOIXZTWKTIL-KBRIMQKVSA-N 1 3 321.440 2.102 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC(C)C)C[C@H]21 ZINC001084388296 1090287382 /nfs/dbraw/zinc/28/73/82/1090287382.db2.gz QNKSANWZDWRVMN-IXDOHACOSA-N 1 3 307.482 2.050 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC(C)C)C[C@H]21 ZINC001084388296 1090287385 /nfs/dbraw/zinc/28/73/85/1090287385.db2.gz QNKSANWZDWRVMN-IXDOHACOSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]21)N(C)C ZINC001410141704 1090368961 /nfs/dbraw/zinc/36/89/61/1090368961.db2.gz GZSADKGABYKMNT-ZJPYXAASSA-N 1 3 321.509 2.201 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CCCC3CCC3)C[C@H]21)N(C)C ZINC001410141704 1090368968 /nfs/dbraw/zinc/36/89/68/1090368968.db2.gz GZSADKGABYKMNT-ZJPYXAASSA-N 1 3 321.509 2.201 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@H]21 ZINC001084938858 1090530535 /nfs/dbraw/zinc/53/05/35/1090530535.db2.gz IGINEWCWNWCRQV-IKGGRYGDSA-N 1 3 307.482 2.192 20 0 DEADHO CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@H]21 ZINC001084938858 1090530539 /nfs/dbraw/zinc/53/05/39/1090530539.db2.gz IGINEWCWNWCRQV-IKGGRYGDSA-N 1 3 307.482 2.192 20 0 DEADHO CC[C@@H](F)C[N@H+](C)CC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001437996291 1091310989 /nfs/dbraw/zinc/31/09/89/1091310989.db2.gz CBYAWGQENBEWOS-CVEARBPZSA-N 1 3 315.477 2.245 20 0 DEADHO CC[C@@H](F)C[N@@H+](C)CC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001437996291 1091311000 /nfs/dbraw/zinc/31/10/00/1091311000.db2.gz CBYAWGQENBEWOS-CVEARBPZSA-N 1 3 315.477 2.245 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CCCC1 ZINC001274607710 1091321904 /nfs/dbraw/zinc/32/19/04/1091321904.db2.gz AOFBAHZLSVYGTE-TUYSUELWSA-N 1 3 307.482 2.313 20 0 DEADHO CC(C)CCCN1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001273425376 1091345759 /nfs/dbraw/zinc/34/57/59/1091345759.db2.gz UJGPKRBKXXMZSE-SFHVURJKSA-N 1 3 309.498 2.441 20 0 DEADHO Cc1ccccc1C[NH2+]CCCN(C)C(=O)CN(C)C1CCC1 ZINC001276048214 1091484116 /nfs/dbraw/zinc/48/41/16/1091484116.db2.gz OAWRMCNOKDHNPG-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO Cn1cncc1C[N@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001276144923 1091594867 /nfs/dbraw/zinc/59/48/67/1091594867.db2.gz LMPSLGINGMWYNF-IYBDPMFKSA-N 1 3 313.449 2.092 20 0 DEADHO Cn1cncc1C[N@@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001276144923 1091594874 /nfs/dbraw/zinc/59/48/74/1091594874.db2.gz LMPSLGINGMWYNF-IYBDPMFKSA-N 1 3 313.449 2.092 20 0 DEADHO O=C1CC[C@H](CN[C@@]23CC[C@@]([NH2+]C4CCCC4)(C2)CCC3)N1 ZINC001275187302 1091607889 /nfs/dbraw/zinc/60/78/89/1091607889.db2.gz IAEJIVQPURATBP-BPQIPLTHSA-N 1 3 305.466 2.232 20 0 DEADHO Cc1ccc(C[NH+]2CCC3(CN(CCn4ccnc4)C3)CC2)o1 ZINC001275240572 1091633259 /nfs/dbraw/zinc/63/32/59/1091633259.db2.gz YDGGPVZDSFFLQG-UHFFFAOYSA-N 1 3 314.433 2.383 20 0 DEADHO Cc1cc(CN2CC3(C2)CCN(CC[NH+](C)C)C3)cc(C)c1O ZINC001275318438 1091666938 /nfs/dbraw/zinc/66/69/38/1091666938.db2.gz FQNLRWZBQBLAOY-UHFFFAOYSA-N 1 3 317.477 2.078 20 0 DEADHO CN(C(=O)CN1CCC(C)(C)C1)[C@H]1CCC[N@H+](CC2CC2)CC1 ZINC000948770393 1091925810 /nfs/dbraw/zinc/92/58/10/1091925810.db2.gz HHHVLLOZMBZLBI-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C(=O)CN1CCC(C)(C)C1)[C@H]1CCC[N@@H+](CC2CC2)CC1 ZINC000948770393 1091925820 /nfs/dbraw/zinc/92/58/20/1091925820.db2.gz HHHVLLOZMBZLBI-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO COCCOC[NH2+][C@@]12CC[C@@](NCc3ccc[nH]3)(C1)CCC2 ZINC001275855642 1092239568 /nfs/dbraw/zinc/23/95/68/1092239568.db2.gz OXDPKXOPNKTSMO-SJORKVTESA-N 1 3 307.438 2.160 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001493124643 1092287610 /nfs/dbraw/zinc/28/76/10/1092287610.db2.gz OTEDDNSUCYUUDW-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C)C[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001493124643 1092287618 /nfs/dbraw/zinc/28/76/18/1092287618.db2.gz OTEDDNSUCYUUDW-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001489341738 1093027921 /nfs/dbraw/zinc/02/79/21/1093027921.db2.gz IWSPITGBSNFVFE-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001489341738 1093027929 /nfs/dbraw/zinc/02/79/29/1093027929.db2.gz IWSPITGBSNFVFE-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CN(CCF)C[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001490765554 1093516260 /nfs/dbraw/zinc/51/62/60/1093516260.db2.gz FFTYSUGVENQJRN-HOTGVXAUSA-N 1 3 313.461 2.001 20 0 DEADHO CN(CCF)C[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001490765554 1093516268 /nfs/dbraw/zinc/51/62/68/1093516268.db2.gz FFTYSUGVENQJRN-HOTGVXAUSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@H](C(=O)NC/C=C/C[NH2+]Cc1c(C)cccc1C)N(C)C ZINC001274125464 1093809304 /nfs/dbraw/zinc/80/93/04/1093809304.db2.gz QBUUZKOPWARBAL-LKGOPFMKSA-N 1 3 317.477 2.406 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]C/C=C/Cl)CCN1C(=O)CN(C)C1CCC1 ZINC001421102242 1171495259 /nfs/dbraw/zinc/49/52/59/1171495259.db2.gz NCKRGZCQNIHVQA-CCRJBVLDSA-N 1 3 313.873 2.192 20 0 DEADHO COc1ccc2[nH]c(CN3C[C@@H]4CC[NH2+]CC[C@@H]4C3)nc2c1 ZINC001236321767 1138352281 /nfs/dbraw/zinc/35/22/81/1138352281.db2.gz OVZKHHKLHNADRE-BETUJISGSA-N 1 3 300.406 2.003 20 0 DEADHO CO[C@H]1C[NH2+]C[C@@H]1N(C)Cc1ccc2c(c1)C(C(C)C)=NCC2 ZINC001237173144 1138513527 /nfs/dbraw/zinc/51/35/27/1138513527.db2.gz LBPSZYIYMKTVBR-ROUUACIJSA-N 1 3 315.461 2.106 20 0 DEADHO CC[C@@H](N)C[NH+]1CCC(Cc2ccc(C(=O)OC)cc2)CC1 ZINC001237205884 1138533580 /nfs/dbraw/zinc/53/35/80/1138533580.db2.gz YWZXDHTZMHMXKN-QGZVFWFLSA-N 1 3 304.434 2.465 20 0 DEADHO CCOC(=O)[C@H]1CN(Cc2ccccc2Cl)CCC12C[NH2+]C2 ZINC001237410308 1138614560 /nfs/dbraw/zinc/61/45/60/1138614560.db2.gz LNGHVVBXYXGWDE-CQSZACIVSA-N 1 3 322.836 2.315 20 0 DEADHO CCOC(=O)[C@H]1CN(Cc2cc(F)ccc2C)CCC12C[NH2+]C2 ZINC001237430188 1138620694 /nfs/dbraw/zinc/62/06/94/1138620694.db2.gz KBPMWGBGOQLQRW-MRXNPFEDSA-N 1 3 320.408 2.109 20 0 DEADHO CC[NH+]1CCC(CN2CC[C@H]3C[C@]32C(=O)NC(C)(C)C)CC1 ZINC001278126254 1138732270 /nfs/dbraw/zinc/73/22/70/1138732270.db2.gz DBUZKRKGJGHZMQ-MAUKXSAKSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1ccc(NC(=O)NC[C@H]2CCC3(CCNCC3)[NH2+]2)cc1C ZINC001239218260 1138992100 /nfs/dbraw/zinc/99/21/00/1138992100.db2.gz XNPOPMNPQLIBJQ-MRXNPFEDSA-N 1 3 316.449 2.299 20 0 DEADHO C[NH+](C)CCOc1cccc(-c2ccc3c(n2)OCCNC3)c1 ZINC001243748822 1140237900 /nfs/dbraw/zinc/23/79/00/1140237900.db2.gz JKEORUMYHABNSY-UHFFFAOYSA-N 1 3 313.401 2.171 20 0 DEADHO Cc1cccc(C)c1C[NH2+][C@H](C)CNC(=O)CN(C)C(C)C ZINC001491685906 1140250017 /nfs/dbraw/zinc/25/00/17/1140250017.db2.gz ZRBJHBVLFADHGP-MRXNPFEDSA-N 1 3 305.466 2.238 20 0 DEADHO CC[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)[NH2+]CCCF ZINC001318582927 1140368628 /nfs/dbraw/zinc/36/86/28/1140368628.db2.gz WETVUAPSMMTHMY-HUUCEWRRSA-N 1 3 301.450 2.095 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CC1=CCCCC1 ZINC001319197522 1140523877 /nfs/dbraw/zinc/52/38/77/1140523877.db2.gz PMPHJYINANNCBV-HNNXBMFYSA-N 1 3 307.482 2.313 20 0 DEADHO N[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC001246017252 1140846082 /nfs/dbraw/zinc/84/60/82/1140846082.db2.gz IVLCWFKTKQBHCX-JQHSSLGASA-N 1 3 314.429 2.439 20 0 DEADHO C[C@@H]1CC[C@@H](CN[C@@H]2CCN(Cc3ccccc3)C(=O)C2)C[NH2+]1 ZINC001246090395 1140859405 /nfs/dbraw/zinc/85/94/05/1140859405.db2.gz FZWTTYUSMGINNH-KBAYOESNSA-N 1 3 315.461 2.155 20 0 DEADHO c1ccc(CC2CCC(N[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)CC2)cc1 ZINC001246135727 1140865005 /nfs/dbraw/zinc/86/50/05/1140865005.db2.gz CGQNSDKBAZQXDI-CPLYBDICSA-N 1 3 300.446 2.364 20 0 DEADHO Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]C[C@H]2CSCCN2)CCN1 ZINC001246333830 1140884744 /nfs/dbraw/zinc/88/47/44/1140884744.db2.gz ARPLWLXRQKIQAO-VYDXJSESSA-N 1 3 323.481 2.222 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)CCN1 ZINC001246354625 1140887341 /nfs/dbraw/zinc/88/73/41/1140887341.db2.gz XKLKZKCOROVNTC-HIFRSBDPSA-N 1 3 319.424 2.160 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccccn3)CCOCC2)CCN1 ZINC001246386193 1140892459 /nfs/dbraw/zinc/89/24/59/1140892459.db2.gz GADSZTOMJVEHBG-CVEARBPZSA-N 1 3 303.450 2.151 20 0 DEADHO Cc1ccc(SC[C@@H](C)[NH2+]CCCC[C@H](N)C(N)=O)cc1 ZINC001246419380 1140896533 /nfs/dbraw/zinc/89/65/33/1140896533.db2.gz URCLHJVLWBRBRE-HIFRSBDPSA-N 1 3 309.479 2.048 20 0 DEADHO C[C@H](Cc1ccc(OC(F)(F)F)cc1)N1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246659757 1141027786 /nfs/dbraw/zinc/02/77/86/1141027786.db2.gz GNBLIXXOFRYKFD-WBMYTEFPSA-N 1 3 300.324 2.405 20 0 DEADHO C[C@@H]1C[C@H](N2CCC3(CC2)C(=O)N[C@@H]3c2ccccc2)CC[NH2+]1 ZINC001246774307 1141055771 /nfs/dbraw/zinc/05/57/71/1141055771.db2.gz LTDFECBPWSABRY-DJIMGWMZSA-N 1 3 313.445 2.080 20 0 DEADHO C[C@@H]1C[C@H]([NH+]2CCC3(CC2)C(=O)N[C@@H]3c2ccccc2)CCN1 ZINC001246774307 1141055779 /nfs/dbraw/zinc/05/57/79/1141055779.db2.gz LTDFECBPWSABRY-DJIMGWMZSA-N 1 3 313.445 2.080 20 0 DEADHO FC(F)(F)[C@@H]1CNCCN1[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246993441 1141229627 /nfs/dbraw/zinc/22/96/27/1141229627.db2.gz TVEMOMHFFYJUAL-ILXRZTDVSA-N 1 3 313.367 2.316 20 0 DEADHO CC[C@@H](C(=O)N(C)CCC[NH2+][C@@H]1CCc2ccccc21)N(C)C ZINC001322701174 1141689919 /nfs/dbraw/zinc/68/99/19/1141689919.db2.gz UXVKUAANXNIAAM-MSOLQXFVSA-N 1 3 317.477 2.452 20 0 DEADHO CN1CCN(CCCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC001250229007 1142098924 /nfs/dbraw/zinc/09/89/24/1142098924.db2.gz NTLXDXWMVVQKES-UHFFFAOYSA-N 1 3 301.478 2.462 20 0 DEADHO CN1CCN(c2ccc3[nH]c(C(C)(C)C[NH+](C)C)nc3c2)CC1 ZINC001250541116 1142232555 /nfs/dbraw/zinc/23/25/55/1142232555.db2.gz AAQWQAOOKPWDKO-UHFFFAOYSA-N 1 3 315.465 2.154 20 0 DEADHO CN1CCC[C@H]1CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC001250684922 1142266588 /nfs/dbraw/zinc/26/65/88/1142266588.db2.gz AVALTAWPXASKNZ-LSDHHAIUSA-N 1 3 312.841 2.154 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3CC4(CCCC4)CC3=O)C[C@H]2C1 ZINC001337804781 1142802677 /nfs/dbraw/zinc/80/26/77/1142802677.db2.gz GHULGHHFHPAPSB-BRWVUGGUSA-N 1 3 319.493 2.399 20 0 DEADHO COc1ccnc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC001252920126 1142830379 /nfs/dbraw/zinc/83/03/79/1142830379.db2.gz WIFWDFOKDFIMBI-GOSISDBHSA-N 1 3 313.401 2.139 20 0 DEADHO COc1ccnc(NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001252920126 1142830381 /nfs/dbraw/zinc/83/03/81/1142830381.db2.gz WIFWDFOKDFIMBI-GOSISDBHSA-N 1 3 313.401 2.139 20 0 DEADHO CC[NH+](CC)C[C@@H](O)CNCCc1c[nH]c2ccc(C)cc12 ZINC001253203328 1142853401 /nfs/dbraw/zinc/85/34/01/1142853401.db2.gz RWHOMHJCMKIVNK-INIZCTEOSA-N 1 3 303.450 2.311 20 0 DEADHO CCN(CC)C[C@H](O)C[NH2+][C@H](C)COc1cc(C)cc(C)c1 ZINC001253202343 1142853677 /nfs/dbraw/zinc/85/36/77/1142853677.db2.gz HGGWVCAWBLVEGP-IAGOWNOFSA-N 1 3 308.466 2.363 20 0 DEADHO CCCCC[C@H](O)C[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001253560731 1142880155 /nfs/dbraw/zinc/88/01/55/1142880155.db2.gz PJXMTULRTKLUIJ-SFHVURJKSA-N 1 3 312.498 2.408 20 0 DEADHO CCCCC[C@H](O)CNC1CC[NH+](CC2CCOCC2)CC1 ZINC001253560731 1142880157 /nfs/dbraw/zinc/88/01/57/1142880157.db2.gz PJXMTULRTKLUIJ-SFHVURJKSA-N 1 3 312.498 2.408 20 0 DEADHO Cc1ncc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)n1C ZINC001254034194 1143029053 /nfs/dbraw/zinc/02/90/53/1143029053.db2.gz HKOQUXSPBWVXAM-UHFFFAOYSA-N 1 3 314.433 2.168 20 0 DEADHO C[N@@H+]1CCC[C@H](N[C@H]2CCC(=O)N[C@H]2c2ccccc2)CC1 ZINC001254508723 1143156177 /nfs/dbraw/zinc/15/61/77/1143156177.db2.gz LCSAVYZRTLLZFS-BQFCYCMXSA-N 1 3 301.434 2.080 20 0 DEADHO C[N@H+]1CCC[C@H](N[C@H]2CCC(=O)N[C@H]2c2ccccc2)CC1 ZINC001254508723 1143156181 /nfs/dbraw/zinc/15/61/81/1143156181.db2.gz LCSAVYZRTLLZFS-BQFCYCMXSA-N 1 3 301.434 2.080 20 0 DEADHO COc1cccc(N2CC[NH+]([C@H]3CCCN(C)CC3)CC2)c1 ZINC001254517816 1143180012 /nfs/dbraw/zinc/18/00/12/1143180012.db2.gz YUMBGFXBWVFXSU-INIZCTEOSA-N 1 3 303.450 2.302 20 0 DEADHO CN1CCC[C@H]([N@@H+]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001254529743 1143221294 /nfs/dbraw/zinc/22/12/94/1143221294.db2.gz PRSAGDMBAQMFAS-SFHVURJKSA-N 1 3 315.461 2.319 20 0 DEADHO CN1CCC[C@H]([N@H+]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001254529743 1143221298 /nfs/dbraw/zinc/22/12/98/1143221298.db2.gz PRSAGDMBAQMFAS-SFHVURJKSA-N 1 3 315.461 2.319 20 0 DEADHO CCCN1C[C@@H]2C[N@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C[C@@H]2C1 ZINC001255609153 1143780568 /nfs/dbraw/zinc/78/05/68/1143780568.db2.gz REUHZMBGBPEPOO-OWCLPIDISA-N 1 3 323.481 2.269 20 0 DEADHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C[C@@H]2C1 ZINC001255609153 1143780576 /nfs/dbraw/zinc/78/05/76/1143780576.db2.gz REUHZMBGBPEPOO-OWCLPIDISA-N 1 3 323.481 2.269 20 0 DEADHO CN(C)C[C@H](NC(=O)/C=C/[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC001342281278 1143809135 /nfs/dbraw/zinc/80/91/35/1143809135.db2.gz QXSWRPXWLNOUDS-PALADMMJSA-N 1 3 319.424 2.100 20 0 DEADHO CC(C)N1CCN(CC[NH2+][C@@H](C)Cc2ccccc2F)CC1 ZINC001255836250 1143810001 /nfs/dbraw/zinc/81/00/01/1143810001.db2.gz OFUADOCQPBRLCT-INIZCTEOSA-N 1 3 307.457 2.372 20 0 DEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCN(C(=O)C(F)(F)F)CC2)C1 ZINC001255977565 1143818607 /nfs/dbraw/zinc/81/86/07/1143818607.db2.gz OYYKIGXYVCPTCA-QWHCGFSZSA-N 1 3 321.387 2.002 20 0 DEADHO C[N@@H+]1CC[C@]2(CCN(C3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC001256297231 1143841013 /nfs/dbraw/zinc/84/10/13/1143841013.db2.gz YHAJPWYZGTZLHV-SFHVURJKSA-N 1 3 323.481 2.414 20 0 DEADHO C[N@H+]1CC[C@]2(CCN(C3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC001256297231 1143841014 /nfs/dbraw/zinc/84/10/14/1143841014.db2.gz YHAJPWYZGTZLHV-SFHVURJKSA-N 1 3 323.481 2.414 20 0 DEADHO COC(=O)[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)N3C)Cc2ccccc21 ZINC001256629869 1143858734 /nfs/dbraw/zinc/85/87/34/1143858734.db2.gz UNRITMXWXVOJHC-ONYGOOLBSA-N 1 3 314.429 2.384 20 0 DEADHO COC(=O)[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)N3C)Cc2ccccc21 ZINC001256629869 1143858735 /nfs/dbraw/zinc/85/87/35/1143858735.db2.gz UNRITMXWXVOJHC-ONYGOOLBSA-N 1 3 314.429 2.384 20 0 DEADHO [NH2+]=C(NC1CCC(N2CCOCC2)CC1)c1ccc(Cl)nc1 ZINC001256678816 1143861296 /nfs/dbraw/zinc/86/12/96/1143861296.db2.gz PXVSACRFVVQZBG-UHFFFAOYSA-N 1 3 322.840 2.293 20 0 DEADHO [NH3+]Cc1ccc(NC2CCC(N3CCOCC3)CC2)cc1F ZINC001256687931 1143862499 /nfs/dbraw/zinc/86/24/99/1143862499.db2.gz KSBLJMVYQXPIPV-UHFFFAOYSA-N 1 3 307.413 2.340 20 0 DEADHO CC(=O)N1CCC2(C1)CCN(C1CC[NH+](C(C)C)CC1)CC2 ZINC001257215811 1143893653 /nfs/dbraw/zinc/89/36/53/1143893653.db2.gz ZHKOVNBCHCMQCG-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO COc1ccc2cc(CC[C@H](C)NC[C@@H](O)C[NH3+])ccc2c1 ZINC001257268846 1143896149 /nfs/dbraw/zinc/89/61/49/1143896149.db2.gz IIJWQDRFFRISPT-GUYCJALGSA-N 1 3 302.418 2.079 20 0 DEADHO CC(C)CN1CCC([NH2+][C@H]2CCCN(c3cnccn3)C2)CC1 ZINC001258007924 1143964339 /nfs/dbraw/zinc/96/43/39/1143964339.db2.gz XLFYPZLQSYKBRV-KRWDZBQOSA-N 1 3 317.481 2.155 20 0 DEADHO CC(C)C[NH+]1CCC(N[C@H]2CCCN(c3cnccn3)C2)CC1 ZINC001258007924 1143964340 /nfs/dbraw/zinc/96/43/40/1143964340.db2.gz XLFYPZLQSYKBRV-KRWDZBQOSA-N 1 3 317.481 2.155 20 0 DEADHO CCCN1CCC([NH2+]Cc2cccc(CC(=O)OC)c2)CC1 ZINC001258770580 1144040033 /nfs/dbraw/zinc/04/00/33/1144040033.db2.gz KSIMYVDPMMYRQM-UHFFFAOYSA-N 1 3 304.434 2.366 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC001480460836 1151821431 /nfs/dbraw/zinc/82/14/31/1151821431.db2.gz XSPSZZLULNDASE-WMLDXEAASA-N 1 3 321.440 2.293 20 0 DEADHO CCCCC[N@@H+]1CCC[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001265594535 1144716299 /nfs/dbraw/zinc/71/62/99/1144716299.db2.gz DFSPPDJJGRRDBF-OAHLLOKOSA-N 1 3 306.454 2.279 20 0 DEADHO CCCCC[N@H+]1CCC[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001265594535 1144716302 /nfs/dbraw/zinc/71/63/02/1144716302.db2.gz DFSPPDJJGRRDBF-OAHLLOKOSA-N 1 3 306.454 2.279 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]CCC3CCCC3)C2)C1 ZINC001266016482 1144788824 /nfs/dbraw/zinc/78/88/24/1144788824.db2.gz ZNSSNYIRIVXGLS-WMZOPIPTSA-N 1 3 321.509 2.347 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001266075771 1144803180 /nfs/dbraw/zinc/80/31/80/1144803180.db2.gz RKMLUXYDPUKNIK-CABCVRRESA-N 1 3 304.438 2.244 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[C@H]2CCC[N@@H+]2CC2CCC2)C1 ZINC001266234737 1144817354 /nfs/dbraw/zinc/81/73/54/1144817354.db2.gz JXHAWYBXAHYMHP-AEFFLSMTSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[C@H]2CCC[N@H+]2CC2CCC2)C1 ZINC001266234737 1144817355 /nfs/dbraw/zinc/81/73/55/1144817355.db2.gz JXHAWYBXAHYMHP-AEFFLSMTSA-N 1 3 321.509 2.489 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC001364521241 1145315048 /nfs/dbraw/zinc/31/50/48/1145315048.db2.gz AWJMTCIOYHLYOX-BZSNNMDCSA-N 1 3 315.461 2.280 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC001364521241 1145315054 /nfs/dbraw/zinc/31/50/54/1145315054.db2.gz AWJMTCIOYHLYOX-BZSNNMDCSA-N 1 3 315.461 2.280 20 0 DEADHO CC(C)OC1CC([NH+]2CCC(N3CCN(C(C)C)CC3)CC2)C1 ZINC001364683413 1145458292 /nfs/dbraw/zinc/45/82/92/1145458292.db2.gz AGKWNYRDTNRLTB-UHFFFAOYSA-N 1 3 323.525 2.433 20 0 DEADHO CN1C[C@@H]2CC[C@H]([NH2+]C3CC(CNC(=O)OC(C)(C)C)C3)[C@@H]2C1 ZINC001364736057 1145524181 /nfs/dbraw/zinc/52/41/81/1145524181.db2.gz XUJNXNPQFLJHBP-WZCNAGQFSA-N 1 3 323.481 2.220 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCCCN1C ZINC001365104408 1145802389 /nfs/dbraw/zinc/80/23/89/1145802389.db2.gz ZYQUQTINYVDJAL-IRXDYDNUSA-N 1 3 324.513 2.425 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCCCN1C ZINC001365104408 1145802390 /nfs/dbraw/zinc/80/23/90/1145802390.db2.gz ZYQUQTINYVDJAL-IRXDYDNUSA-N 1 3 324.513 2.425 20 0 DEADHO CC(C)=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001284241506 1145824840 /nfs/dbraw/zinc/82/48/40/1145824840.db2.gz KDDZSZKSTUIESX-LSDHHAIUSA-N 1 3 304.438 2.101 20 0 DEADHO CC[N@H+](C)[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC001365304008 1145842728 /nfs/dbraw/zinc/84/27/28/1145842728.db2.gz JKEKTFUAIVIVET-SJORKVTESA-N 1 3 318.465 2.025 20 0 DEADHO CC[N@@H+](C)[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC001365304008 1145842729 /nfs/dbraw/zinc/84/27/29/1145842729.db2.gz JKEKTFUAIVIVET-SJORKVTESA-N 1 3 318.465 2.025 20 0 DEADHO C[C@@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001365855760 1146030223 /nfs/dbraw/zinc/03/02/23/1146030223.db2.gz OLMQPNCUVFDPQH-RBSFLKMASA-N 1 3 315.477 2.197 20 0 DEADHO CCC[NH2+][C@H](C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001492084696 1147089147 /nfs/dbraw/zinc/08/91/47/1147089147.db2.gz CFYMKALTNADIRM-CZUORRHYSA-N 1 3 301.450 2.093 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001366161481 1147084556 /nfs/dbraw/zinc/08/45/56/1147084556.db2.gz IFCYDAVUAIRXIP-GJMZLZBNSA-N 1 3 313.873 2.239 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)c1ccccc1 ZINC001366286452 1147193309 /nfs/dbraw/zinc/19/33/09/1147193309.db2.gz LTRKCMJWRMOUPO-GJZGRUSLSA-N 1 3 303.450 2.326 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1C ZINC001366287670 1147193379 /nfs/dbraw/zinc/19/33/79/1147193379.db2.gz RGGURGDCOIEOCI-FUHWJXTLSA-N 1 3 317.477 2.464 20 0 DEADHO CCc1ccccc1C[NH2+][C@H](C)CNC(=O)CN(C)C(C)C ZINC001366367297 1147237389 /nfs/dbraw/zinc/23/73/89/1147237389.db2.gz NZOWYVBRFOKOCY-OAHLLOKOSA-N 1 3 305.466 2.184 20 0 DEADHO C[C@H](CNC(=O)CCC[NH+]1CCCCC1)NC/C=C/Cl ZINC001366371470 1147240216 /nfs/dbraw/zinc/24/02/16/1147240216.db2.gz WWFJEERHSODCQI-IZPAUZPXSA-N 1 3 301.862 2.099 20 0 DEADHO CC(C)[C@H](C(=O)NCC[N@H+](C)C[C@H]1CCC(F)(F)C1)N(C)C ZINC001366583820 1147373737 /nfs/dbraw/zinc/37/37/37/1147373737.db2.gz JOVTZFXMCHMVLI-UONOGXRCSA-N 1 3 319.440 2.056 20 0 DEADHO CC(C)[C@H](C(=O)NCC[N@@H+](C)C[C@H]1CCC(F)(F)C1)N(C)C ZINC001366583820 1147373743 /nfs/dbraw/zinc/37/37/43/1147373743.db2.gz JOVTZFXMCHMVLI-UONOGXRCSA-N 1 3 319.440 2.056 20 0 DEADHO CC[N@H+](CCNC(=O)C1(N(C)C)CCC1)CCc1ccccc1 ZINC001366615621 1147396067 /nfs/dbraw/zinc/39/60/67/1147396067.db2.gz FSCCHKOKEJQRIP-UHFFFAOYSA-N 1 3 317.477 2.152 20 0 DEADHO CC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)CCc1ccccc1 ZINC001366615621 1147396072 /nfs/dbraw/zinc/39/60/72/1147396072.db2.gz FSCCHKOKEJQRIP-UHFFFAOYSA-N 1 3 317.477 2.152 20 0 DEADHO C[C@H](c1ccccc1)N1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001366903234 1147614079 /nfs/dbraw/zinc/61/40/79/1147614079.db2.gz YJIKAEJQFXORNM-WBVHZDCISA-N 1 3 303.450 2.280 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001317091906 1147658723 /nfs/dbraw/zinc/65/87/23/1147658723.db2.gz NDYQMKSMDTWRMG-WKILWMFISA-N 1 3 318.465 2.468 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCC(F)(F)F)CC1)N(C)C ZINC001367195915 1147662531 /nfs/dbraw/zinc/66/25/31/1147662531.db2.gz BTULRNBXAAISIO-AVGNSLFASA-N 1 3 323.403 2.296 20 0 DEADHO CC(C)[C@@H](C(=O)NCc1ccc(C[NH2+]CC2CC2)cc1)N(C)C ZINC001367211512 1147664744 /nfs/dbraw/zinc/66/47/44/1147664744.db2.gz YORIUQFUFRWOBU-SFHVURJKSA-N 1 3 317.477 2.389 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H](C[NH2+]CCF)C2)c1 ZINC001317163631 1147668610 /nfs/dbraw/zinc/66/86/10/1147668610.db2.gz BIPVQENOINHOCD-INIZCTEOSA-N 1 3 321.440 2.160 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1 ZINC001367249495 1147669384 /nfs/dbraw/zinc/66/93/84/1147669384.db2.gz SOAXEBRBHKQSRW-FUHWJXTLSA-N 1 3 317.477 2.401 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(C)C ZINC001317212319 1147678196 /nfs/dbraw/zinc/67/81/96/1147678196.db2.gz VIBGCMMTSODMIV-ROCUWWBDSA-N 1 3 319.493 2.262 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(C)C ZINC001317212319 1147678198 /nfs/dbraw/zinc/67/81/98/1147678198.db2.gz VIBGCMMTSODMIV-ROCUWWBDSA-N 1 3 319.493 2.262 20 0 DEADHO Cc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C2CCC2)c1 ZINC001367357387 1147683569 /nfs/dbraw/zinc/68/35/69/1147683569.db2.gz JGULXZMFCRWHGX-MRXNPFEDSA-N 1 3 317.477 2.416 20 0 DEADHO C[C@@H](CNCc1ccccc1F)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367399041 1147689323 /nfs/dbraw/zinc/68/93/23/1147689323.db2.gz QQWKMIYRVIKAFL-LSDHHAIUSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@@H](CNCc1ccccc1F)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001367399041 1147689325 /nfs/dbraw/zinc/68/93/25/1147689325.db2.gz QQWKMIYRVIKAFL-LSDHHAIUSA-N 1 3 321.440 2.104 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CCCC1 ZINC001367416936 1147691490 /nfs/dbraw/zinc/69/14/90/1147691490.db2.gz SDDYEFNVWYDISB-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO CN(CC[N@H+](C)CC1CCC2(CC2)CC1)C(=O)[C@H]1CCCN1C ZINC001367508824 1147705236 /nfs/dbraw/zinc/70/52/36/1147705236.db2.gz CXURYJDXSUFKCZ-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CN(CC[N@@H+](C)CC1CCC2(CC2)CC1)C(=O)[C@H]1CCCN1C ZINC001367508824 1147705237 /nfs/dbraw/zinc/70/52/37/1147705237.db2.gz CXURYJDXSUFKCZ-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C)cc1 ZINC001367775348 1147741219 /nfs/dbraw/zinc/74/12/19/1147741219.db2.gz RQYLBOJNBHKQPS-FUHWJXTLSA-N 1 3 317.477 2.464 20 0 DEADHO C[C@@H](CN(C)Cc1cccc(F)c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001367800815 1147748698 /nfs/dbraw/zinc/74/86/98/1147748698.db2.gz AVVDWHWLBBZOEP-JJRVBVJISA-N 1 3 321.440 2.102 20 0 DEADHO C[C@@H](CN(C)Cc1cccc(F)c1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001367800815 1147748699 /nfs/dbraw/zinc/74/86/99/1147748699.db2.gz AVVDWHWLBBZOEP-JJRVBVJISA-N 1 3 321.440 2.102 20 0 DEADHO CCCCC[N@@H+]1CC[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001317809055 1147754520 /nfs/dbraw/zinc/75/45/20/1147754520.db2.gz KRCZCHSJERATFE-HNNXBMFYSA-N 1 3 306.454 2.279 20 0 DEADHO CCCCC[N@H+]1CC[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001317809055 1147754521 /nfs/dbraw/zinc/75/45/21/1147754521.db2.gz KRCZCHSJERATFE-HNNXBMFYSA-N 1 3 306.454 2.279 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(C)c(C)c2)CC1)N(C)C ZINC001368029650 1147835234 /nfs/dbraw/zinc/83/52/34/1147835234.db2.gz UHTJZOFESCIPKY-KRWDZBQOSA-N 1 3 317.477 2.382 20 0 DEADHO CC[C@H](NC1CCN(Cc2ccncc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422696115 529585353 /nfs/dbraw/zinc/58/53/53/529585353.db2.gz QSZNERJVZQXRHH-ROUUACIJSA-N 1 3 302.466 2.166 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000417832206 529615887 /nfs/dbraw/zinc/61/58/87/529615887.db2.gz KXWQOJGDQJISEQ-BGTYHANMSA-N 1 3 315.461 2.286 20 0 DEADHO C[C@H](NC(=O)N1CCCC[C@@H]1C[NH3+])[C@@H](c1ccccc1)N(C)C ZINC000418193764 299089151 /nfs/dbraw/zinc/08/91/51/299089151.db2.gz ZTNSKYZRGFZCCM-UAGQMJEPSA-N 1 3 318.465 2.201 20 0 DEADHO C[C@@H]1CCC[C@H](C[NH+]2CCC(C(=O)NCCN(C)C)CC2)C1 ZINC000092803411 185342345 /nfs/dbraw/zinc/34/23/45/185342345.db2.gz RQPZRJAJUPVIDK-CVEARBPZSA-N 1 3 309.498 2.203 20 0 DEADHO CCc1[nH]ccc1C(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000286617270 219085341 /nfs/dbraw/zinc/08/53/41/219085341.db2.gz YQAYZOSHWQNRQG-OAHLLOKOSA-N 1 3 320.481 2.065 20 0 DEADHO CCc1[nH]ccc1C(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000286617270 219085343 /nfs/dbraw/zinc/08/53/43/219085343.db2.gz YQAYZOSHWQNRQG-OAHLLOKOSA-N 1 3 320.481 2.065 20 0 DEADHO CN1CC[C@@H]2CCN(C(=O)NCC[NH2+]C3CCCCCC3)[C@H]2C1 ZINC000418457140 529796609 /nfs/dbraw/zinc/79/66/09/529796609.db2.gz GORWNNUTBMWLMV-WBVHZDCISA-N 1 3 322.497 2.034 20 0 DEADHO CN(CCCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422757042 529891810 /nfs/dbraw/zinc/89/18/10/529891810.db2.gz JEYOHVMISYTDDE-IPMKNSEASA-N 1 3 317.477 2.260 20 0 DEADHO C[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000417814689 530000569 /nfs/dbraw/zinc/00/05/69/530000569.db2.gz QSNXPUXUWAHXDM-GDBMZVCRSA-N 1 3 303.450 2.171 20 0 DEADHO CN1CCC(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000443959278 530047753 /nfs/dbraw/zinc/04/77/53/530047753.db2.gz MOOMKBSWCLRJPE-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CN1CCC(O)(C[NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000428866542 530050744 /nfs/dbraw/zinc/05/07/44/530050744.db2.gz ZPYJTKWFZXVWAM-UHFFFAOYSA-N 1 3 308.369 2.313 20 0 DEADHO OC[C@@H]1CCCN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000092456058 539426392 /nfs/dbraw/zinc/42/63/92/539426392.db2.gz GEMCLQUWCAMIBG-KRWDZBQOSA-N 1 3 304.434 2.118 20 0 DEADHO C[C@@]1(NCc2ccc(OCC[NH+]3CCCC3)cc2)CCOC1 ZINC000120191710 539450357 /nfs/dbraw/zinc/45/03/57/539450357.db2.gz SJORETJFAUXDNL-GOSISDBHSA-N 1 3 304.434 2.430 20 0 DEADHO CCCN(C)CC(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000615445125 362608350 /nfs/dbraw/zinc/60/83/50/362608350.db2.gz IWTOTYVYUQBHOZ-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CN(C)CCN1CCC([NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000150978813 539524424 /nfs/dbraw/zinc/52/44/24/539524424.db2.gz FRTFKFBJIOLCHZ-GOSISDBHSA-N 1 3 305.441 2.429 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H](C)[C@@H](OC)c2ccccc2)CC1 ZINC000279744099 215110370 /nfs/dbraw/zinc/11/03/70/215110370.db2.gz PGKQTVWEPHFXFJ-IEBWSBKVSA-N 1 3 319.493 2.380 20 0 DEADHO C[C@H]1C[C@H](NCCc2nc3c(cccc3F)n2C)CC[N@@H+]1C ZINC000180862994 539647574 /nfs/dbraw/zinc/64/75/74/539647574.db2.gz AMYYZDNYBQJGBC-QWHCGFSZSA-N 1 3 304.413 2.327 20 0 DEADHO C[C@H]1C[C@H](NCCc2nc3c(cccc3F)n2C)CC[N@H+]1C ZINC000180862994 539647576 /nfs/dbraw/zinc/64/75/76/539647576.db2.gz AMYYZDNYBQJGBC-QWHCGFSZSA-N 1 3 304.413 2.327 20 0 DEADHO COc1cccc(CNCCCC[N@@H+]2CCC[C@H]2CO)c1F ZINC000192681875 539708401 /nfs/dbraw/zinc/70/84/01/539708401.db2.gz ZUEQDYHMASKCOY-HNNXBMFYSA-N 1 3 310.413 2.161 20 0 DEADHO COc1cccc(CNCCCC[N@H+]2CCC[C@H]2CO)c1F ZINC000192681875 539708406 /nfs/dbraw/zinc/70/84/06/539708406.db2.gz ZUEQDYHMASKCOY-HNNXBMFYSA-N 1 3 310.413 2.161 20 0 DEADHO CC1CCN(CCNC(=O)NCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000071923556 191032394 /nfs/dbraw/zinc/03/23/94/191032394.db2.gz ANZYNXHSACKZOM-QGZVFWFLSA-N 1 3 324.513 2.282 20 0 DEADHO CC1CCN(CCNC(=O)NCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000071923556 191032396 /nfs/dbraw/zinc/03/23/96/191032396.db2.gz ANZYNXHSACKZOM-QGZVFWFLSA-N 1 3 324.513 2.282 20 0 DEADHO COC[C@@H]1CCCN(CC[C@H](C)[N@@H+]2CCC[C@@H](COC)C2)C1 ZINC000245696321 539757916 /nfs/dbraw/zinc/75/79/16/539757916.db2.gz SDPOGALUIFFNIK-RCCFBDPRSA-N 1 3 312.498 2.482 20 0 DEADHO COC[C@@H]1CCCN(CC[C@H](C)[N@H+]2CCC[C@@H](COC)C2)C1 ZINC000245696321 539757920 /nfs/dbraw/zinc/75/79/20/539757920.db2.gz SDPOGALUIFFNIK-RCCFBDPRSA-N 1 3 312.498 2.482 20 0 DEADHO COC[C@@H]1CCCN([C@@H](C)CC[N@@H+]2CCC[C@@H](COC)C2)C1 ZINC000245696321 539757924 /nfs/dbraw/zinc/75/79/24/539757924.db2.gz SDPOGALUIFFNIK-RCCFBDPRSA-N 1 3 312.498 2.482 20 0 DEADHO COC[C@@H]1CCCN([C@@H](C)CC[N@H+]2CCC[C@@H](COC)C2)C1 ZINC000245696321 539757931 /nfs/dbraw/zinc/75/79/31/539757931.db2.gz SDPOGALUIFFNIK-RCCFBDPRSA-N 1 3 312.498 2.482 20 0 DEADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(C(=O)C3CCCC3)C2)[C@@H](C)C1 ZINC000246902441 539767562 /nfs/dbraw/zinc/76/75/62/539767562.db2.gz FGHNOQZBCPXRFX-UAGQMJEPSA-N 1 3 307.482 2.097 20 0 DEADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(C(=O)C3CCCC3)C2)[C@@H](C)C1 ZINC000246902441 539767565 /nfs/dbraw/zinc/76/75/65/539767565.db2.gz FGHNOQZBCPXRFX-UAGQMJEPSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@H](C(=O)NCc1cccc(C[NH+](C)C)c1)N(CC)CC ZINC000266835626 186353437 /nfs/dbraw/zinc/35/34/37/186353437.db2.gz NPVASYRBGLULHK-QGZVFWFLSA-N 1 3 305.466 2.485 20 0 DEADHO CC(C)NC(=O)CCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000268755297 186380372 /nfs/dbraw/zinc/38/03/72/186380372.db2.gz JBXAZINUAWVCCS-UHFFFAOYSA-N 1 3 317.477 2.198 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)N1CCCCC1 ZINC000617350654 363104982 /nfs/dbraw/zinc/10/49/82/363104982.db2.gz AHJAPCFJPFNSMJ-CVEARBPZSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)N1CCCCC1 ZINC000617350654 363104988 /nfs/dbraw/zinc/10/49/88/363104988.db2.gz AHJAPCFJPFNSMJ-CVEARBPZSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[N@H+](C)C[C@H](O)CN1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000319893558 539894557 /nfs/dbraw/zinc/89/45/57/539894557.db2.gz KJEJRRJURGPMNJ-WNRNVDISSA-N 1 3 312.498 2.093 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000319893558 539894560 /nfs/dbraw/zinc/89/45/60/539894560.db2.gz KJEJRRJURGPMNJ-WNRNVDISSA-N 1 3 312.498 2.093 20 0 DEADHO CCC[NH+]1CCC(N[C@H](C)c2cccc(-n3cnnn3)c2)CC1 ZINC000320096800 539895274 /nfs/dbraw/zinc/89/52/74/539895274.db2.gz ZWTRTZVNIGKRAQ-CQSZACIVSA-N 1 3 314.437 2.187 20 0 DEADHO c1ccc(CN2CCC(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000339066370 539985720 /nfs/dbraw/zinc/98/57/20/539985720.db2.gz AQIOKZBZCHRVPQ-MJGOQNOKSA-N 1 3 314.477 2.262 20 0 DEADHO c1ccc(CN2CCC(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000339066370 539985725 /nfs/dbraw/zinc/98/57/25/539985725.db2.gz AQIOKZBZCHRVPQ-MJGOQNOKSA-N 1 3 314.477 2.262 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000236770686 202001442 /nfs/dbraw/zinc/00/14/42/202001442.db2.gz WMUUZFRGIDXISQ-AEFFLSMTSA-N 1 3 303.450 2.316 20 0 DEADHO CCCN(C(=O)NCC(C)(C)N1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000416820681 283001632 /nfs/dbraw/zinc/00/16/32/283001632.db2.gz CRPFFSTZQAVWQA-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@H](CC[NH+](C)C)NC[C@@H](O)COCc1ccc(Cl)cc1 ZINC000049557530 354361353 /nfs/dbraw/zinc/36/13/53/354361353.db2.gz IFHUPYSEXUDYIW-CZUORRHYSA-N 1 3 314.857 2.147 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1ccccc1 ZINC000060335660 354610349 /nfs/dbraw/zinc/61/03/49/354610349.db2.gz ZMNYETUFSHSGJL-KRWDZBQOSA-N 1 3 303.450 2.109 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1ccccc1 ZINC000060335660 354610352 /nfs/dbraw/zinc/61/03/52/354610352.db2.gz ZMNYETUFSHSGJL-KRWDZBQOSA-N 1 3 303.450 2.109 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N2CCN(C3CCC3)C[C@H](C)C2)CC[N@@H+]1C ZINC000344719271 291039913 /nfs/dbraw/zinc/03/99/13/291039913.db2.gz VJLCHWIYWBJYHS-JYJNAYRXSA-N 1 3 307.482 2.050 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N2CCN(C3CCC3)C[C@H](C)C2)CC[N@H+]1C ZINC000344719271 291039915 /nfs/dbraw/zinc/03/99/15/291039915.db2.gz VJLCHWIYWBJYHS-JYJNAYRXSA-N 1 3 307.482 2.050 20 0 DEADHO C[C@@H](C[NH2+]Cc1ccc(OCCN(C)C)cc1)Cn1cccn1 ZINC000069787220 354876614 /nfs/dbraw/zinc/87/66/14/354876614.db2.gz DGZVQHSJWBWVRR-INIZCTEOSA-N 1 3 316.449 2.249 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N2CCCN(C(C)C)CC2)CC1 ZINC000069825799 354878715 /nfs/dbraw/zinc/87/87/15/354878715.db2.gz QPJXJTFOFJPVQB-UHFFFAOYSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2CCN(C)CC2)C1 ZINC000073670400 354975073 /nfs/dbraw/zinc/97/50/73/354975073.db2.gz JEYWGLMHUQPINT-SJORKVTESA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C2CCN(C)CC2)C1 ZINC000073670400 354975076 /nfs/dbraw/zinc/97/50/76/354975076.db2.gz JEYWGLMHUQPINT-SJORKVTESA-N 1 3 321.509 2.441 20 0 DEADHO CCCOc1ccc(C[NH2+]CC2(O)CCN(C)CC2)cc1OC ZINC000077450509 355205934 /nfs/dbraw/zinc/20/59/34/355205934.db2.gz AATHTAOURVZWJT-UHFFFAOYSA-N 1 3 322.449 2.030 20 0 DEADHO C[C@H](CNC(=O)c1cccc2c1CCNC2)C[NH+]1CCCCC1 ZINC000391533924 540136691 /nfs/dbraw/zinc/13/66/91/540136691.db2.gz UCVSBMIDSGWVQS-OAHLLOKOSA-N 1 3 315.461 2.184 20 0 DEADHO CC[NH+](CC)C[C@H](C)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415879151 540161834 /nfs/dbraw/zinc/16/18/34/540161834.db2.gz AWOKCVCVFZWXAK-ZDUSSCGKSA-N 1 3 304.438 2.184 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]C2CCC(O)CC2)CC1 ZINC000088668752 355517530 /nfs/dbraw/zinc/51/75/30/355517530.db2.gz DZCVPESDMLEKTH-UHFFFAOYSA-N 1 3 317.477 2.222 20 0 DEADHO CCN1CCN([C@@H]2CC[N@H+](Cc3cc(C)ccc3F)C2)CC1 ZINC000093132682 355668984 /nfs/dbraw/zinc/66/89/84/355668984.db2.gz GCCDHFSPJIPJKW-QGZVFWFLSA-N 1 3 305.441 2.346 20 0 DEADHO CCN1CCN([C@@H]2CC[N@@H+](Cc3cc(C)ccc3F)C2)CC1 ZINC000093132682 355668985 /nfs/dbraw/zinc/66/89/85/355668985.db2.gz GCCDHFSPJIPJKW-QGZVFWFLSA-N 1 3 305.441 2.346 20 0 DEADHO CC1(C)CC(NC(=O)N[C@@H]2CCN(CC3CC3)C2)CC(C)(C)[NH2+]1 ZINC000108537866 355736114 /nfs/dbraw/zinc/73/61/14/355736114.db2.gz FKBJUFCTJWJRCV-CQSZACIVSA-N 1 3 322.497 2.079 20 0 DEADHO Cc1ccc(F)cc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000119708622 355787941 /nfs/dbraw/zinc/78/79/41/355787941.db2.gz UHHHHEBHWKWADC-UHFFFAOYSA-N 1 3 310.417 2.091 20 0 DEADHO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]C1CCN(CCN(C)C)CC1 ZINC000181468351 356082490 /nfs/dbraw/zinc/08/24/90/356082490.db2.gz GZMMQTNQVYLKGD-DLBZAZTESA-N 1 3 311.514 2.196 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)N(C)CCC[NH+](C)C)N(C)C)cc1 ZINC000185768746 356210585 /nfs/dbraw/zinc/21/05/85/356210585.db2.gz QOFVBWJUIIIWQT-QGZVFWFLSA-N 1 3 320.481 2.191 20 0 DEADHO CN1CC[C@H]2CCN(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)[C@@H]2C1 ZINC000182175885 283146903 /nfs/dbraw/zinc/14/69/03/283146903.db2.gz OHBZRAQOQBDXJY-DZGCQCFKSA-N 1 3 322.497 2.031 20 0 DEADHO CCC(CC)[C@H](CNC(=O)NCCN(C)CC)[NH+]1CCCC1 ZINC000194832939 356244821 /nfs/dbraw/zinc/24/48/21/356244821.db2.gz KULABGFYFIZKJB-INIZCTEOSA-N 1 3 312.502 2.138 20 0 DEADHO Cc1cccc(OC[C@H](O)C[NH2+]C[C@H](C)CN2CCCC2)c1 ZINC000315053208 356421325 /nfs/dbraw/zinc/42/13/25/356421325.db2.gz PRCHEHWFEMOTAF-DLBZAZTESA-N 1 3 306.450 2.056 20 0 DEADHO CCC[C@H](N)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000236842482 202034184 /nfs/dbraw/zinc/03/41/84/202034184.db2.gz SHXXJROPMAMQKI-KRWDZBQOSA-N 1 3 303.450 2.203 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000236835075 202031084 /nfs/dbraw/zinc/03/10/84/202031084.db2.gz ZHVQZUSDGWXGEH-SJORKVTESA-N 1 3 303.450 2.328 20 0 DEADHO CCC[C@@H](N)C(=O)NC[C@@H](Cc1ccccc1)[NH+](CC)CC ZINC000236953687 202092326 /nfs/dbraw/zinc/09/23/26/202092326.db2.gz GYWWPZKGTIDUAT-IAGOWNOFSA-N 1 3 305.466 2.183 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCOc1ccc(Cl)c(F)c1 ZINC000423156559 283195848 /nfs/dbraw/zinc/19/58/48/283195848.db2.gz SSWPGPNKLAHYTK-WBIUFABUSA-N 1 3 316.804 2.200 20 0 DEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)c1ccc(C[NH3+])cc1 ZINC000237026669 202127434 /nfs/dbraw/zinc/12/74/34/202127434.db2.gz YOWIGLHYPIVUCH-SFHVURJKSA-N 1 3 311.429 2.048 20 0 DEADHO CN(CCCNC(=O)CC1CC[NH2+]CC1)Cc1ccccc1 ZINC000237066104 202140453 /nfs/dbraw/zinc/14/04/53/202140453.db2.gz MRFGEDPWOFCRGN-UHFFFAOYSA-N 1 3 303.450 2.014 20 0 DEADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000382765026 356678029 /nfs/dbraw/zinc/67/80/29/356678029.db2.gz ROLUJGUOGWDECV-RYRKJORJSA-N 1 3 315.461 2.107 20 0 DEADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCN(C)Cc1ccccc1 ZINC000386743417 356697751 /nfs/dbraw/zinc/69/77/51/356697751.db2.gz DVUAPNVZHRZNPQ-INIZCTEOSA-N 1 3 305.466 2.259 20 0 DEADHO Cc1ccc([C@H](CNC(=O)CCC2CC[NH2+]CC2)N(C)C)cc1 ZINC000237134842 202162443 /nfs/dbraw/zinc/16/24/43/202162443.db2.gz NZJPLAGJUVUDDA-SFHVURJKSA-N 1 3 317.477 2.494 20 0 DEADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000578872383 356885098 /nfs/dbraw/zinc/88/50/98/356885098.db2.gz OELWPOZHVKWOSH-CVEARBPZSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)CC[N@H+]1CCCC[C@H]1C ZINC000578872383 356885100 /nfs/dbraw/zinc/88/51/00/356885100.db2.gz OELWPOZHVKWOSH-CVEARBPZSA-N 1 3 309.498 2.440 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)CCCC[NH+](C)C ZINC000579298366 356950881 /nfs/dbraw/zinc/95/08/81/356950881.db2.gz XJBHWKVRHWDWAV-UHFFFAOYSA-N 1 3 307.438 2.427 20 0 DEADHO CN(C)CCN1CCC([NH2+]CC2Cc3ccccc3C2)CC1 ZINC000580746697 357073691 /nfs/dbraw/zinc/07/36/91/357073691.db2.gz XRYWQKBFEHDMJK-UHFFFAOYSA-N 1 3 301.478 2.017 20 0 DEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NCc1ccc(C[NH3+])cc1 ZINC000581129730 357135651 /nfs/dbraw/zinc/13/56/51/357135651.db2.gz BGFPOSKYZHKXTQ-MRXNPFEDSA-N 1 3 318.465 2.065 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C)C[C@@H]3C)CC2)CC1 ZINC000581378586 357178548 /nfs/dbraw/zinc/17/85/48/357178548.db2.gz NYMOCZUYYWLRIJ-CVEARBPZSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)(C[C@@H]1CCCN(C2CC[NH+](CC3CC3)CC2)C1)C(N)=O ZINC000584702345 357293096 /nfs/dbraw/zinc/29/30/96/357293096.db2.gz DGKDIADYDOELQF-INIZCTEOSA-N 1 3 321.509 2.474 20 0 DEADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H](C)C[C@H](C)[NH3+])c1 ZINC000584717798 357296280 /nfs/dbraw/zinc/29/62/80/357296280.db2.gz IFLKCBJPWLBVET-JKSUJKDBSA-N 1 3 320.481 2.194 20 0 DEADHO Cc1ncc2c(n1)CC[C@H](N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C2 ZINC000581878538 357260822 /nfs/dbraw/zinc/26/08/22/357260822.db2.gz NFGBWCMIKJLCTA-BURFUSLBSA-N 1 3 300.450 2.153 20 0 DEADHO CCC[N@H+](CCN1CCN(CC)CC1)C[C@@H]1CCC(C)(C)O1 ZINC000344130940 283259697 /nfs/dbraw/zinc/25/96/97/283259697.db2.gz IORGURVKZCOGJR-KRWDZBQOSA-N 1 3 311.514 2.294 20 0 DEADHO CCC[N@@H+](CCN1CCN(CC)CC1)C[C@@H]1CCC(C)(C)O1 ZINC000344130940 283259699 /nfs/dbraw/zinc/25/96/99/283259699.db2.gz IORGURVKZCOGJR-KRWDZBQOSA-N 1 3 311.514 2.294 20 0 DEADHO CCSc1cccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000435391838 283261476 /nfs/dbraw/zinc/26/14/76/283261476.db2.gz XXUPMVFDHCAVAC-HNNXBMFYSA-N 1 3 321.490 2.086 20 0 DEADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000655974235 540297677 /nfs/dbraw/zinc/29/76/77/540297677.db2.gz ODVQJVDKKOJASB-OWCLPIDISA-N 1 3 310.486 2.018 20 0 DEADHO C[NH2+]CCC1CCN(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000655973554 540297737 /nfs/dbraw/zinc/29/77/37/540297737.db2.gz GYYBLSMIIMTWFU-IRXDYDNUSA-N 1 3 322.497 2.034 20 0 DEADHO CCOC(=O)c1cc(CNCCCC[N@@H+]2CCCC[C@@H]2C)[nH]n1 ZINC000592502489 357888311 /nfs/dbraw/zinc/88/83/11/357888311.db2.gz XEVBGXACPSZGPN-AWEZNQCLSA-N 1 3 322.453 2.331 20 0 DEADHO CCOC(=O)c1cc(CNCCCC[N@H+]2CCCC[C@@H]2C)[nH]n1 ZINC000592502489 357888314 /nfs/dbraw/zinc/88/83/14/357888314.db2.gz XEVBGXACPSZGPN-AWEZNQCLSA-N 1 3 322.453 2.331 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCN2C(C)(C)C)C1 ZINC000661396394 540317703 /nfs/dbraw/zinc/31/77/03/540317703.db2.gz AHOJPMGXTJJFFH-HZPDHXFCSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCN2C(C)(C)C)C1 ZINC000661396394 540317705 /nfs/dbraw/zinc/31/77/05/540317705.db2.gz AHOJPMGXTJJFFH-HZPDHXFCSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H](CNC(=O)NCC1([NH+]2CCCCC2)CCCCC1)N(C)C ZINC000457428635 295957206 /nfs/dbraw/zinc/95/72/06/295957206.db2.gz DVQCCDYWFYNHPJ-INIZCTEOSA-N 1 3 324.513 2.425 20 0 DEADHO CCCN(CCN(C)C)C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662823693 540335258 /nfs/dbraw/zinc/33/52/58/540335258.db2.gz SPPZJFQEYYFCML-QGZVFWFLSA-N 1 3 317.477 2.479 20 0 DEADHO C[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H](F)CN2)CCN1Cc1ccccc1 ZINC000666946925 540368384 /nfs/dbraw/zinc/36/83/84/540368384.db2.gz SUHXXXWSSVVCJQ-OWLYRPNTSA-N 1 3 305.441 2.329 20 0 DEADHO Cn1c(CN[C@@H]2CC23CC[NH2+]CC3)nc2ccc(Cl)cc21 ZINC000666952453 540369520 /nfs/dbraw/zinc/36/95/20/540369520.db2.gz XAIORPXPHWSHLS-CQSZACIVSA-N 1 3 304.825 2.458 20 0 DEADHO c1nc(-c2ccncc2)sc1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000666952436 540369538 /nfs/dbraw/zinc/36/95/38/540369538.db2.gz WNQAMOVRQGZNOP-CQSZACIVSA-N 1 3 300.431 2.437 20 0 DEADHO CN(CCNC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1)C1CC1 ZINC000667158706 540404859 /nfs/dbraw/zinc/40/48/59/540404859.db2.gz GMRMOGVQTTWCRH-GOSISDBHSA-N 1 3 315.461 2.076 20 0 DEADHO C[C@H](NCC1([S@@](C)=O)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000282362015 299285392 /nfs/dbraw/zinc/28/53/92/299285392.db2.gz PUGKHSWKUXDIIZ-RCDICMHDSA-N 1 3 324.490 2.189 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H](C)c2sccc2OC)CC1 ZINC000186106410 199917335 /nfs/dbraw/zinc/91/73/35/199917335.db2.gz SEQPLJQXTPURQB-AWEZNQCLSA-N 1 3 311.495 2.435 20 0 DEADHO C[C@H](CNC(=O)Nc1cccc(CN)c1)C[NH+]1CCCCC1 ZINC000667731188 540515538 /nfs/dbraw/zinc/51/55/38/540515538.db2.gz NGSISGLGYNCZND-CQSZACIVSA-N 1 3 304.438 2.389 20 0 DEADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000290176666 291191982 /nfs/dbraw/zinc/19/19/82/291191982.db2.gz FBZKDROMPUALMT-NXHRZFHOSA-N 1 3 315.461 2.328 20 0 DEADHO COC(=O)Cc1ccc(CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000600186169 359679370 /nfs/dbraw/zinc/67/93/70/359679370.db2.gz VTTJQQLZJFYZKB-UHFFFAOYSA-N 1 3 302.418 2.119 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H](CN)c2ccccc2)C1 ZINC000237513276 202266394 /nfs/dbraw/zinc/26/63/94/202266394.db2.gz TWPDPELPGSGECM-JZXOWHBKSA-N 1 3 317.477 2.213 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H](CN)c2ccccc2)C1 ZINC000237513276 202266397 /nfs/dbraw/zinc/26/63/97/202266397.db2.gz TWPDPELPGSGECM-JZXOWHBKSA-N 1 3 317.477 2.213 20 0 DEADHO C[C@@H](C(=O)NCCC1CC[NH+](C)CC1)[C@@H](N)c1ccccc1 ZINC000237605497 202299947 /nfs/dbraw/zinc/29/99/47/202299947.db2.gz MLGQBHSRQSZSDD-RHSMWYFYSA-N 1 3 303.450 2.171 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)CC2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000237587340 202293072 /nfs/dbraw/zinc/29/30/72/202293072.db2.gz SUVWEHCFZDRFTB-QAPCUYQASA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H](NCCN1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347926468 299298501 /nfs/dbraw/zinc/29/85/01/299298501.db2.gz HMYIURXDOYBXJD-PBWTXFEYSA-N 1 3 321.509 2.092 20 0 DEADHO C[C@H](NCCN1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347926468 299298506 /nfs/dbraw/zinc/29/85/06/299298506.db2.gz HMYIURXDOYBXJD-PBWTXFEYSA-N 1 3 321.509 2.092 20 0 DEADHO C[C@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCCN(C2CCC2)C1 ZINC000347926468 299298508 /nfs/dbraw/zinc/29/85/08/299298508.db2.gz HMYIURXDOYBXJD-PBWTXFEYSA-N 1 3 321.509 2.092 20 0 DEADHO Cc1cc(NC(=O)[C@H]2CC[NH2+]C2)ccc1OCCN1CCCC1 ZINC000237724352 202339432 /nfs/dbraw/zinc/33/94/32/202339432.db2.gz HCAIRGJCQVSAMJ-HNNXBMFYSA-N 1 3 317.433 2.018 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)cc1 ZINC000668515142 540676676 /nfs/dbraw/zinc/67/66/76/540676676.db2.gz MTLHVCXLQYEFIL-KDURUIRLSA-N 1 3 318.461 2.485 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+]2C[C@]3(C)COC[C@]3(C)C2)cc1 ZINC000668515142 540676679 /nfs/dbraw/zinc/67/66/79/540676679.db2.gz MTLHVCXLQYEFIL-KDURUIRLSA-N 1 3 318.461 2.485 20 0 DEADHO CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000601243069 359979067 /nfs/dbraw/zinc/97/90/67/359979067.db2.gz IABNHRCMAPSYEW-HOTGVXAUSA-N 1 3 310.486 2.033 20 0 DEADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)C1 ZINC000601244529 359980313 /nfs/dbraw/zinc/98/03/13/359980313.db2.gz TVYZSYMMWUJBTN-ZACQAIPSSA-N 1 3 324.513 2.279 20 0 DEADHO CC[C@@H]([NH3+])CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669484043 540841823 /nfs/dbraw/zinc/84/18/23/540841823.db2.gz ZWZOGVYYMLHOQI-SJORKVTESA-N 1 3 318.465 2.250 20 0 DEADHO CC[C@@H](CN1CCCC1)NC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000669529693 540853650 /nfs/dbraw/zinc/85/36/50/540853650.db2.gz YKMDBIANFSSKLL-INIZCTEOSA-N 1 3 322.497 2.036 20 0 DEADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCC[NH2+]C1CC1)N(C)C ZINC000669583530 540869271 /nfs/dbraw/zinc/86/92/71/540869271.db2.gz SOARGRGYZMFCNM-RHSMWYFYSA-N 1 3 318.465 2.037 20 0 DEADHO CC[C@@H](C)N[C@@H](CNC(=O)N1CCC(C)([NH3+])CC1)c1ccco1 ZINC000669584116 540869015 /nfs/dbraw/zinc/86/90/15/540869015.db2.gz GXWRTCXWGQGXKD-KGLIPLIRSA-N 1 3 322.453 2.232 20 0 DEADHO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)C(C)(C)c1ccccc1 ZINC000415085403 299318599 /nfs/dbraw/zinc/31/85/99/299318599.db2.gz QETKOJMIOZBTBC-JKSUJKDBSA-N 1 3 317.477 2.140 20 0 DEADHO C[NH+](C)CCC(=O)N[C@@H]1CCN(CCC(F)(F)F)CC1(C)C ZINC001422086391 1172292557 /nfs/dbraw/zinc/29/25/57/1172292557.db2.gz CAOSQPRZMJEKFO-GFCCVEGCSA-N 1 3 323.403 2.107 20 0 DEADHO C[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000671727126 541004778 /nfs/dbraw/zinc/00/47/78/541004778.db2.gz IUHJEPVDUCMHFO-DOTOQJQBSA-N 1 3 306.450 2.389 20 0 DEADHO Cc1ccccc1CN1CCC(NC(=O)CC[C@@H](C)[NH3+])CC1 ZINC000193295482 201023353 /nfs/dbraw/zinc/02/33/53/201023353.db2.gz WSYLILCAFWZMBP-OAHLLOKOSA-N 1 3 303.450 2.203 20 0 DEADHO C[C@@H]([NH3+])CCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000193310795 201026992 /nfs/dbraw/zinc/02/69/92/201026992.db2.gz APXBVRKYRCBVTB-HLLBOEOZSA-N 1 3 303.450 2.283 20 0 DEADHO CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000619895358 363893168 /nfs/dbraw/zinc/89/31/68/363893168.db2.gz UIVVIWBVFISCQK-GOSISDBHSA-N 1 3 315.461 2.497 20 0 DEADHO CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000619895358 363893175 /nfs/dbraw/zinc/89/31/75/363893175.db2.gz UIVVIWBVFISCQK-GOSISDBHSA-N 1 3 315.461 2.497 20 0 DEADHO C[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)[C@H]1CC12CC2 ZINC000527857097 283727118 /nfs/dbraw/zinc/72/71/18/283727118.db2.gz ZSGDXWWUMQUJLK-FUHWJXTLSA-N 1 3 314.477 2.372 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000675197247 541301190 /nfs/dbraw/zinc/30/11/90/541301190.db2.gz MINKQACHXRQZMB-QGZVFWFLSA-N 1 3 324.513 2.234 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](CC)CN2CCCC2)C1 ZINC000675197587 541302374 /nfs/dbraw/zinc/30/23/74/541302374.db2.gz PLALNHRKYAHOJK-SJORKVTESA-N 1 3 324.513 2.234 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](CC)CN2CCCC2)C1 ZINC000675197587 541302379 /nfs/dbraw/zinc/30/23/79/541302379.db2.gz PLALNHRKYAHOJK-SJORKVTESA-N 1 3 324.513 2.234 20 0 DEADHO CC[C@@H](CN1CCCC1)NC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000675198856 541302523 /nfs/dbraw/zinc/30/25/23/541302523.db2.gz ZHPHWXYSUYUAMM-JKSUJKDBSA-N 1 3 310.486 2.033 20 0 DEADHO C[NH2+]C[C@H]1CCCN(C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000623054735 364870121 /nfs/dbraw/zinc/87/01/21/364870121.db2.gz XZKHMVANEAWGGA-OAHLLOKOSA-N 1 3 304.438 2.212 20 0 DEADHO FC(F)CN1CCC(C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000623089481 364882153 /nfs/dbraw/zinc/88/21/53/364882153.db2.gz JQUHGCBRXXUUEC-HUUCEWRRSA-N 1 3 301.425 2.180 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000623209590 364920793 /nfs/dbraw/zinc/92/07/93/364920793.db2.gz YFJCWSXUPPDIFY-KRWDZBQOSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@H]1CCC[N@H+](CCNC(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000623461722 365038518 /nfs/dbraw/zinc/03/85/18/365038518.db2.gz UEXRKMZSMJZCNS-DOTOQJQBSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@H]1CCC[N@@H+](CCNC(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000623461722 365038524 /nfs/dbraw/zinc/03/85/24/365038524.db2.gz UEXRKMZSMJZCNS-DOTOQJQBSA-N 1 3 322.497 2.034 20 0 DEADHO Cc1nc([C@@H](C)NCCCN2CCC[N@H+](C)CC2)c(C)s1 ZINC000676488276 541458566 /nfs/dbraw/zinc/45/85/66/541458566.db2.gz AGEFBOUUPRJDDI-CYBMUJFWSA-N 1 3 310.511 2.438 20 0 DEADHO Cc1nc([C@@H](C)NCCCN2CCC[N@@H+](C)CC2)c(C)s1 ZINC000676488276 541458568 /nfs/dbraw/zinc/45/85/68/541458568.db2.gz AGEFBOUUPRJDDI-CYBMUJFWSA-N 1 3 310.511 2.438 20 0 DEADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449735151 241006769 /nfs/dbraw/zinc/00/67/69/241006769.db2.gz PTNBBALWSXDLHX-ZWKOTPCHSA-N 1 3 313.445 2.106 20 0 DEADHO C[C@H](C[NH2+]C[C@@H](O)CN1CCCC1)Oc1cccc(Cl)c1 ZINC000629563617 367252915 /nfs/dbraw/zinc/25/29/15/367252915.db2.gz HLEDNDMYBYBEOB-UKRRQHHQSA-N 1 3 312.841 2.154 20 0 DEADHO Cc1nccn1CCCN1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629562523 367253590 /nfs/dbraw/zinc/25/35/90/367253590.db2.gz NTHOYFXPRMVSNK-STQMWFEESA-N 1 3 304.360 2.041 20 0 DEADHO CC[C@@H](C[NH2+]C[C@@H](O)CN1CCCC1)Oc1ccccc1F ZINC000629567584 367254679 /nfs/dbraw/zinc/25/46/79/367254679.db2.gz YTIGVWOCDIJTOY-CABCVRRESA-N 1 3 310.413 2.029 20 0 DEADHO CC[C@H](C)[NH2+][C@H](CNC(=O)CN(C)C1CCC1)c1ccco1 ZINC000629991952 367424812 /nfs/dbraw/zinc/42/48/12/367424812.db2.gz IXTDEAIMFWNGEC-DZGCQCFKSA-N 1 3 307.438 2.309 20 0 DEADHO NCc1cn([C@@H]2CC[N@H+](Cc3ccc(C(F)F)cc3)C2)nn1 ZINC000631845306 368422324 /nfs/dbraw/zinc/42/23/24/368422324.db2.gz YAZCGGKONOWZSA-CQSZACIVSA-N 1 3 307.348 2.121 20 0 DEADHO NCc1cn([C@@H]2CC[N@@H+](Cc3ccc(C(F)F)cc3)C2)nn1 ZINC000631845306 368422330 /nfs/dbraw/zinc/42/23/30/368422330.db2.gz YAZCGGKONOWZSA-CQSZACIVSA-N 1 3 307.348 2.121 20 0 DEADHO c1cc(OCC[NH+]2CCCC2)ccc1CN1CCCOCC1 ZINC000678184212 541690119 /nfs/dbraw/zinc/69/01/19/541690119.db2.gz KNWHJADXDNVKPH-UHFFFAOYSA-N 1 3 304.434 2.384 20 0 DEADHO C[C@@H]1C[C@H](C(=O)N2CCN(C3CCC3)C[C@H](C)C2)CC[N@@H+]1C ZINC000344719269 297328655 /nfs/dbraw/zinc/32/86/55/297328655.db2.gz VJLCHWIYWBJYHS-ARFHVFGLSA-N 1 3 307.482 2.050 20 0 DEADHO C[C@@H]1C[C@H](C(=O)N2CCN(C3CCC3)C[C@H](C)C2)CC[N@H+]1C ZINC000344719269 297328657 /nfs/dbraw/zinc/32/86/57/297328657.db2.gz VJLCHWIYWBJYHS-ARFHVFGLSA-N 1 3 307.482 2.050 20 0 DEADHO CCC[C@H](N)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261539607 203076191 /nfs/dbraw/zinc/07/61/91/203076191.db2.gz CVJFFMRAOLLYLQ-PVAVHDDUSA-N 1 3 303.450 2.141 20 0 DEADHO CCC[C@H](N)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261539607 203076192 /nfs/dbraw/zinc/07/61/92/203076192.db2.gz CVJFFMRAOLLYLQ-PVAVHDDUSA-N 1 3 303.450 2.141 20 0 DEADHO O=C(CC[C@H]1CCC[NH2+]1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000261617391 203080812 /nfs/dbraw/zinc/08/08/12/203080812.db2.gz BTCZTLGWEYPIMN-MSOLQXFVSA-N 1 3 315.461 2.472 20 0 DEADHO CCn1cnnc1CC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000678588524 541747962 /nfs/dbraw/zinc/74/79/62/541747962.db2.gz PPEBHEWFXPKQHH-UHFFFAOYSA-N 1 3 305.470 2.227 20 0 DEADHO CCC[C@](C)(N)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000262141590 203209899 /nfs/dbraw/zinc/20/98/99/203209899.db2.gz PCQCDOGCRYQXKE-MJGOQNOKSA-N 1 3 317.477 2.484 20 0 DEADHO CCC[C@](C)(N)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000262141590 203209901 /nfs/dbraw/zinc/20/99/01/203209901.db2.gz PCQCDOGCRYQXKE-MJGOQNOKSA-N 1 3 317.477 2.484 20 0 DEADHO C[C@@H](C(=O)NCC1([NH+](C)C)CCCC1)[C@H](N)c1ccccc1 ZINC000262344695 203269575 /nfs/dbraw/zinc/26/95/75/203269575.db2.gz URHCVMNVDZZOKO-ZBFHGGJFSA-N 1 3 303.450 2.313 20 0 DEADHO CN(C)[C@H](CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000262541308 203325525 /nfs/dbraw/zinc/32/55/25/203325525.db2.gz RDMBUNHNKXZZQH-YESZJQIVSA-N 1 3 303.450 2.313 20 0 DEADHO C[C@H]1C[C@H](NC(=O)C2([NH3+])CCCCC2)CN1Cc1ccccc1 ZINC000262683658 203379817 /nfs/dbraw/zinc/37/98/17/203379817.db2.gz ZNCYDFBMJFLHHO-RDJZCZTQSA-N 1 3 315.461 2.427 20 0 DEADHO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453242246 245012614 /nfs/dbraw/zinc/01/26/14/245012614.db2.gz PXIZWSFGSISKOD-DZOHQFGASA-N 1 3 315.461 2.154 20 0 DEADHO CCN(C(=O)[C@H](C)N1CCC([C@@H](C)[NH3+])CC1)c1ccccc1 ZINC000430931274 284228069 /nfs/dbraw/zinc/22/80/69/284228069.db2.gz WDOMJYJWAAIRDA-CABCVRRESA-N 1 3 303.450 2.487 20 0 DEADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)/C=C/CN(C)C ZINC000264671238 204066394 /nfs/dbraw/zinc/06/63/94/204066394.db2.gz YNFJHJJQDQGLLQ-DHZHZOJOSA-N 1 3 303.450 2.261 20 0 DEADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)/C=C/CN(C)C ZINC000264671238 204066398 /nfs/dbraw/zinc/06/63/98/204066398.db2.gz YNFJHJJQDQGLLQ-DHZHZOJOSA-N 1 3 303.450 2.261 20 0 DEADHO C[NH+](C)CCCCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000264920119 204269989 /nfs/dbraw/zinc/26/99/89/204269989.db2.gz PLUUSRNMDFHRIY-UHFFFAOYSA-N 1 3 317.477 2.357 20 0 DEADHO CN(C)C[C@@H](NC(=O)/C=C\C[NH+](C)C)c1ccc(Cl)cc1 ZINC000282770996 217240808 /nfs/dbraw/zinc/24/08/08/217240808.db2.gz DENKXKDDPGYQTJ-IYKSTZQJSA-N 1 3 309.841 2.177 20 0 DEADHO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)C1 ZINC000177863478 284351219 /nfs/dbraw/zinc/35/12/19/284351219.db2.gz BSKDCLZXGGZKPL-YESZJQIVSA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)C1 ZINC000177863478 284351220 /nfs/dbraw/zinc/35/12/20/284351220.db2.gz BSKDCLZXGGZKPL-YESZJQIVSA-N 1 3 324.513 2.090 20 0 DEADHO C[NH+]1CCC(O)(CNCc2c(Cl)ccc3cccnc32)CC1 ZINC000679719623 541905314 /nfs/dbraw/zinc/90/53/14/541905314.db2.gz PJWBKIVBJYJEQV-UHFFFAOYSA-N 1 3 319.836 2.435 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCC3CC3)[C@H]2C1 ZINC001369421228 1148965817 /nfs/dbraw/zinc/96/58/17/1148965817.db2.gz PWUGUPVRPZXBLT-OKZBNKHCSA-N 1 3 321.509 2.345 20 0 DEADHO COc1cccc([C@H](C)[NH2+]CCCCN2CCN(C)CC2)c1 ZINC000531940091 284631664 /nfs/dbraw/zinc/63/16/64/284631664.db2.gz ZQZKMYALELZHOX-INIZCTEOSA-N 1 3 305.466 2.373 20 0 DEADHO [NH3+][C@H](CCC(=O)NCCN1CCCCCC1)c1ccccc1 ZINC000316033610 291697662 /nfs/dbraw/zinc/69/76/62/291697662.db2.gz HOGUBJIXDJDAPG-QGZVFWFLSA-N 1 3 303.450 2.459 20 0 DEADHO C[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc2c(c1)COC2 ZINC000268879600 207049512 /nfs/dbraw/zinc/04/95/12/207049512.db2.gz XHTJREQYKXPZKJ-AWEZNQCLSA-N 1 3 304.434 2.214 20 0 DEADHO CO[C@@H]1CN(Cc2ccc(OCC[NH+](C)C)cc2)CC[C@@H]1C ZINC000682245307 542280888 /nfs/dbraw/zinc/28/08/88/542280888.db2.gz HQINKPMVSBNHHZ-MAUKXSAKSA-N 1 3 306.450 2.484 20 0 DEADHO CN1CCC(O)(C[NH2+][C@@H]2CSCCc3ccccc32)CC1 ZINC000269065679 207214180 /nfs/dbraw/zinc/21/41/80/207214180.db2.gz VKJSTZAHVSKVRP-MRXNPFEDSA-N 1 3 306.475 2.063 20 0 DEADHO COc1ccc2c(c1)[C@H](NCCOCC[NH+](C)C)CCCO2 ZINC000556078181 291811367 /nfs/dbraw/zinc/81/13/67/291811367.db2.gz DJHXFCHWQHTEAY-MRXNPFEDSA-N 1 3 308.422 2.077 20 0 DEADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]CCCN1CCCC1=O ZINC000556764764 291838448 /nfs/dbraw/zinc/83/84/48/291838448.db2.gz DLXPCMWJHLSPKC-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO COCCOCCN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435690431 285092746 /nfs/dbraw/zinc/09/27/46/285092746.db2.gz CFVATOTVWOQGLS-MRXNPFEDSA-N 1 3 324.490 2.355 20 0 DEADHO COc1cc(OC)cc(OCCN[C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422934677 533078628 /nfs/dbraw/zinc/07/86/28/533078628.db2.gz GFNOJQIIXRZSDM-GUYCJALGSA-N 1 3 308.422 2.060 20 0 DEADHO CC[N@H+](CCC1CCN([C@@H]2CCCN(C)C2=O)CC1)CC1CC1 ZINC000540911645 285137164 /nfs/dbraw/zinc/13/71/64/285137164.db2.gz NHPGIBVLADVVSO-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+](CCC1CCN([C@@H]2CCCN(C)C2=O)CC1)CC1CC1 ZINC000540911645 285137167 /nfs/dbraw/zinc/13/71/67/285137167.db2.gz NHPGIBVLADVVSO-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H](NC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)[C@@H](c1ccccc1)N(C)C ZINC000418187620 533134074 /nfs/dbraw/zinc/13/40/74/533134074.db2.gz SVSNJYCKQHVPFP-ABFRBSLYSA-N 1 3 318.465 2.057 20 0 DEADHO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CC[C@H]2CCCN2C)C1 ZINC000428775825 533152302 /nfs/dbraw/zinc/15/23/02/533152302.db2.gz CHLSGVHXTGWWJB-MJGOQNOKSA-N 1 3 316.445 2.287 20 0 DEADHO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CC[C@H]2CCCN2C)C1 ZINC000428775825 533152307 /nfs/dbraw/zinc/15/23/07/533152307.db2.gz CHLSGVHXTGWWJB-MJGOQNOKSA-N 1 3 316.445 2.287 20 0 DEADHO C[C@@H](NC(=O)NC[C@@H]1CCCCN1Cc1ccccc1)[C@H](C)[NH3+] ZINC000417312759 533173930 /nfs/dbraw/zinc/17/39/30/533173930.db2.gz SYOQBQGRBZGKCA-UXLLHSPISA-N 1 3 318.465 2.076 20 0 DEADHO COc1ccc([C@H](CN[C@@H]2CCC[C@H]2C[NH3+])N(C)C)cc1OC ZINC000422987740 533183618 /nfs/dbraw/zinc/18/36/18/533183618.db2.gz IYGFWZFAEXGGFC-XHSDSOJGSA-N 1 3 321.465 2.024 20 0 DEADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000683419585 542446864 /nfs/dbraw/zinc/44/68/64/542446864.db2.gz WVRVVQYBOFQOML-RDJZCZTQSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@H](NCCOC[C@@H]1CCCO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543458452 285289264 /nfs/dbraw/zinc/28/92/64/285289264.db2.gz DMRMGBCBWRQVQD-BQFCYCMXSA-N 1 3 310.482 2.425 20 0 DEADHO C[C@H](NCCOC[C@@H]1CCCO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543458452 285289266 /nfs/dbraw/zinc/28/92/66/285289266.db2.gz DMRMGBCBWRQVQD-BQFCYCMXSA-N 1 3 310.482 2.425 20 0 DEADHO C[C@H]([NH2+]CCOC[C@@H]1CCCO1)[C@H]1CCCN(C2CCC2)C1 ZINC000543458452 285289270 /nfs/dbraw/zinc/28/92/70/285289270.db2.gz DMRMGBCBWRQVQD-BQFCYCMXSA-N 1 3 310.482 2.425 20 0 DEADHO C[C@@H](C(=O)N1CCc2ccccc21)N1CCC[C@H](CC[NH3+])C1 ZINC000443056173 533220419 /nfs/dbraw/zinc/22/04/19/533220419.db2.gz CDEWFTDNOOXAPA-LSDHHAIUSA-N 1 3 301.434 2.025 20 0 DEADHO CN1CCCN(CCC[NH2+]Cc2ccc3cnccc3c2)CC1 ZINC000683769547 542494167 /nfs/dbraw/zinc/49/41/67/542494167.db2.gz WNMBGVPWJCFHIQ-UHFFFAOYSA-N 1 3 312.461 2.352 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000561230924 291957231 /nfs/dbraw/zinc/95/72/31/291957231.db2.gz GATHZXPVEDQWDH-DOTOQJQBSA-N 1 3 318.465 2.032 20 0 DEADHO C[C@@H](NC1CC1)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000295772159 533335956 /nfs/dbraw/zinc/33/59/56/533335956.db2.gz QWOGFUMSXKFTSI-CQSZACIVSA-N 1 3 301.434 2.404 20 0 DEADHO C[C@@H]([NH2+]CC1(CN2CCOCC2)CCCCC1)[C@H]1CCCCN1 ZINC000422853682 533358255 /nfs/dbraw/zinc/35/82/55/533358255.db2.gz SOXVSDQAIHDDDU-QZTJIDSGSA-N 1 3 323.525 2.389 20 0 DEADHO C[C@@H](NCC1(CN2CCOCC2)CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000422853682 533358260 /nfs/dbraw/zinc/35/82/60/533358260.db2.gz SOXVSDQAIHDDDU-QZTJIDSGSA-N 1 3 323.525 2.389 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)[N@H+](C)CC1CC(C)C1 ZINC001422549215 1172697198 /nfs/dbraw/zinc/69/71/98/1172697198.db2.gz VBTKNOBCPXCKBV-HWOWSKLDSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)[N@@H+](C)CC1CC(C)C1 ZINC001422549215 1172697214 /nfs/dbraw/zinc/69/72/14/1172697214.db2.gz VBTKNOBCPXCKBV-HWOWSKLDSA-N 1 3 309.498 2.343 20 0 DEADHO COc1cccc(NC(=O)CCN2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000422625199 533599754 /nfs/dbraw/zinc/59/97/54/533599754.db2.gz AXKGGWGXTYMNCJ-KFWWJZLASA-N 1 3 319.449 2.329 20 0 DEADHO COc1cccc(NC(=O)CC[N@@H+]2C[C@H](CN)[C@H](C)C[C@H]2C)c1 ZINC000422625199 533599756 /nfs/dbraw/zinc/59/97/56/533599756.db2.gz AXKGGWGXTYMNCJ-KFWWJZLASA-N 1 3 319.449 2.329 20 0 DEADHO COc1cccc(NC(=O)CC[N@H+]2C[C@H](CN)[C@H](C)C[C@H]2C)c1 ZINC000422625199 533599765 /nfs/dbraw/zinc/59/97/65/533599765.db2.gz AXKGGWGXTYMNCJ-KFWWJZLASA-N 1 3 319.449 2.329 20 0 DEADHO [NH3+][C@H](CNC(=O)NCCN1CCC2(CCCCC2)CC1)C1CC1 ZINC000562812024 292012417 /nfs/dbraw/zinc/01/24/17/292012417.db2.gz XGOTWJRUTXQOAH-MRXNPFEDSA-N 1 3 322.497 2.069 20 0 DEADHO CC[NH+](CC)CC1CCN(C(=O)[C@H](C2CC2)N2CCCC2)CC1 ZINC000353825944 133004722 /nfs/dbraw/zinc/00/47/22/133004722.db2.gz VUEIDCDWWYCTOL-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CCN(CCNC(=O)N(C)CC[NH+](C(C)C)C(C)C)C1CC1 ZINC000355777507 133047375 /nfs/dbraw/zinc/04/73/75/133047375.db2.gz SEVZDMYQMVYYOL-UHFFFAOYSA-N 1 3 312.502 2.231 20 0 DEADHO CC(C)[NH+](CCNC(=O)N[C@H](C)C1=CCN(C)CC1)C(C)C ZINC000357814154 133102022 /nfs/dbraw/zinc/10/20/22/133102022.db2.gz JITHONSWPHDKJG-OAHLLOKOSA-N 1 3 310.486 2.055 20 0 DEADHO C[C@@H](CNC(=O)N[C@@H](C)C1=CCN(C)CC1)C[NH+]1CCCCC1 ZINC000357879226 133106746 /nfs/dbraw/zinc/10/67/46/133106746.db2.gz VKGACJPUWSZBFH-HOTGVXAUSA-N 1 3 322.497 2.058 20 0 DEADHO O=C(CCC[NH2+]C1CCN(C2CCCCC2)CC1)NC1CC1 ZINC000358042552 133117401 /nfs/dbraw/zinc/11/74/01/133117401.db2.gz VIZYDIFLUNPLRF-UHFFFAOYSA-N 1 3 307.482 2.432 20 0 DEADHO O=C(CCCNC1CC[NH+](C2CCCCC2)CC1)NC1CC1 ZINC000358042552 133117402 /nfs/dbraw/zinc/11/74/02/133117402.db2.gz VIZYDIFLUNPLRF-UHFFFAOYSA-N 1 3 307.482 2.432 20 0 DEADHO CC[N@H+](Cc1ccc(C(=O)N(C)CCN(C)C)cc1)C1CC1 ZINC000359594717 133133174 /nfs/dbraw/zinc/13/31/74/133133174.db2.gz QUBVKSKXYIQPNW-UHFFFAOYSA-N 1 3 303.450 2.305 20 0 DEADHO CC[N@@H+](Cc1ccc(C(=O)N(C)CCN(C)C)cc1)C1CC1 ZINC000359594717 133133175 /nfs/dbraw/zinc/13/31/75/133133175.db2.gz QUBVKSKXYIQPNW-UHFFFAOYSA-N 1 3 303.450 2.305 20 0 DEADHO CCN(CC)[C@H](C[NH2+]C1CCN(CCOC)CC1)c1ccco1 ZINC000360153445 133166216 /nfs/dbraw/zinc/16/62/16/133166216.db2.gz BGRIDNWTHXOAKE-QGZVFWFLSA-N 1 3 323.481 2.363 20 0 DEADHO CCN(CC)[C@H](CNC1CC[NH+](CCOC)CC1)c1ccco1 ZINC000360153445 133166217 /nfs/dbraw/zinc/16/62/17/133166217.db2.gz BGRIDNWTHXOAKE-QGZVFWFLSA-N 1 3 323.481 2.363 20 0 DEADHO Cc1ccc(NC(=[NH2+])NC[C@@H]2CN3CCC[C@@H]3CO2)cc1C ZINC000360570928 133190893 /nfs/dbraw/zinc/19/08/93/133190893.db2.gz AYFKKTQHPPZEOO-HZPDHXFCSA-N 1 3 302.422 2.103 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC000362893682 133257918 /nfs/dbraw/zinc/25/79/18/133257918.db2.gz SWBATWDQMYJAJQ-MRXNPFEDSA-N 1 3 317.477 2.456 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC000362893682 133257919 /nfs/dbraw/zinc/25/79/19/133257919.db2.gz SWBATWDQMYJAJQ-MRXNPFEDSA-N 1 3 317.477 2.456 20 0 DEADHO Cc1cccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000376203677 133286723 /nfs/dbraw/zinc/28/67/23/133286723.db2.gz QTMVMHDOLLQFCC-IEBWSBKVSA-N 1 3 301.478 2.453 20 0 DEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2F)C1 ZINC000562989137 292022313 /nfs/dbraw/zinc/02/23/13/292022313.db2.gz GAIYRCRRMDOHAG-RBSFLKMASA-N 1 3 310.413 2.028 20 0 DEADHO N[C@@H](CC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000377345153 133326881 /nfs/dbraw/zinc/32/68/81/133326881.db2.gz KBGYFGDGJZAOJS-DLBZAZTESA-N 1 3 301.434 2.067 20 0 DEADHO CN1CCCC[C@@H]1CC[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000372786323 133366161 /nfs/dbraw/zinc/36/61/61/133366161.db2.gz RRAYXAVAWNKHKN-LJQANCHMSA-N 1 3 323.525 2.295 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CCN1CCC(CCN2CCOCC2)CC1 ZINC000372786323 133366162 /nfs/dbraw/zinc/36/61/62/133366162.db2.gz RRAYXAVAWNKHKN-LJQANCHMSA-N 1 3 323.525 2.295 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CCN1CCC(CCN2CCOCC2)CC1 ZINC000372786323 133366163 /nfs/dbraw/zinc/36/61/63/133366163.db2.gz RRAYXAVAWNKHKN-LJQANCHMSA-N 1 3 323.525 2.295 20 0 DEADHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccccc1CN(C)C ZINC000373021335 133374595 /nfs/dbraw/zinc/37/45/95/133374595.db2.gz DLUJAZSVLYCICJ-ZBFHGGJFSA-N 1 3 301.434 2.057 20 0 DEADHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccccc1CN(C)C ZINC000373021335 133374596 /nfs/dbraw/zinc/37/45/96/133374596.db2.gz DLUJAZSVLYCICJ-ZBFHGGJFSA-N 1 3 301.434 2.057 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NCCC3(C)CC3)CC2)CC1 ZINC000563393450 292052849 /nfs/dbraw/zinc/05/28/49/292052849.db2.gz UZHKSYUSMOHFHS-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO O=C(C[C@H]1CCC[NH2+]C1)N1CCN(CC2CCCCC2)CC1 ZINC000563414805 292055416 /nfs/dbraw/zinc/05/54/16/292055416.db2.gz AZETYXAHSPVBAA-QGZVFWFLSA-N 1 3 307.482 2.101 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)C1 ZINC000564470271 292096550 /nfs/dbraw/zinc/09/65/50/292096550.db2.gz LLTDTUSUGBDRPT-FRRDWIJNSA-N 1 3 321.387 2.179 20 0 DEADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)C1 ZINC000564470271 292096551 /nfs/dbraw/zinc/09/65/51/292096551.db2.gz LLTDTUSUGBDRPT-FRRDWIJNSA-N 1 3 321.387 2.179 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@H]3C=CCCC3)CC2)CC1 ZINC000188833951 145018003 /nfs/dbraw/zinc/01/80/03/145018003.db2.gz MSSZAHPPYQUCNF-INIZCTEOSA-N 1 3 319.493 2.408 20 0 DEADHO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000192120569 145071071 /nfs/dbraw/zinc/07/10/71/145071071.db2.gz JKXBBCKRWYIBCE-ABHRYQDASA-N 1 3 309.479 2.231 20 0 DEADHO CN1CCC[C@H](CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)[C@@H]1c1cccs1 ZINC000237124425 145091981 /nfs/dbraw/zinc/09/19/81/145091981.db2.gz OZTBKQVXYJRSBX-IXYNUQLISA-N 1 3 321.490 2.375 20 0 DEADHO C[C@H](CC(=O)NCCN(C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000246229832 145096116 /nfs/dbraw/zinc/09/61/16/145096116.db2.gz HOBQZDXECNJDRF-AEFFLSMTSA-N 1 3 317.477 2.260 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000246406602 145102408 /nfs/dbraw/zinc/10/24/08/145102408.db2.gz KJWCCAFUBOVCFY-IXDOHACOSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000246406602 145102409 /nfs/dbraw/zinc/10/24/09/145102409.db2.gz KJWCCAFUBOVCFY-IXDOHACOSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@H]1CCN(c2ncccc2F)C1 ZINC000246881077 145117485 /nfs/dbraw/zinc/11/74/85/145117485.db2.gz DJIMMDOEBZNKQI-HGTKMLMNSA-N 1 3 306.429 2.118 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@H]1CCN(c2ncccc2F)C1 ZINC000246881077 145117486 /nfs/dbraw/zinc/11/74/86/145117486.db2.gz DJIMMDOEBZNKQI-HGTKMLMNSA-N 1 3 306.429 2.118 20 0 DEADHO CC[N@@H+]1CC[C@H](NCCNC(=O)c2ccc(C)c(F)c2)[C@@H](C)C1 ZINC000246882790 145117876 /nfs/dbraw/zinc/11/78/76/145117876.db2.gz FAUBTOTWCIDESD-YOEHRIQHSA-N 1 3 321.440 2.184 20 0 DEADHO CC[N@H+]1CC[C@H](NCCNC(=O)c2ccc(C)c(F)c2)[C@@H](C)C1 ZINC000246882790 145117878 /nfs/dbraw/zinc/11/78/78/145117878.db2.gz FAUBTOTWCIDESD-YOEHRIQHSA-N 1 3 321.440 2.184 20 0 DEADHO CCNC(=O)c1cccc(C[NH2+][C@@H]2CCN(CC)C[C@H]2C)c1 ZINC000246868818 145117886 /nfs/dbraw/zinc/11/78/86/145117886.db2.gz CKGJWYMOLQFKHK-RHSMWYFYSA-N 1 3 303.450 2.256 20 0 DEADHO [NH3+][C@@H](CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000261536594 145206028 /nfs/dbraw/zinc/20/60/28/145206028.db2.gz QMSKWZZDDUMHCA-MOPGFXCFSA-N 1 3 323.440 2.467 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000261643770 145213229 /nfs/dbraw/zinc/21/32/29/145213229.db2.gz GNNTUXJFERFOKZ-OIISXLGYSA-N 1 3 303.450 2.041 20 0 DEADHO C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)[C@@H](N)c1ccccc1 ZINC000261650647 145213434 /nfs/dbraw/zinc/21/34/34/145213434.db2.gz FEFLVTVOEQUHIF-DZJNRPSUSA-N 1 3 315.461 2.265 20 0 DEADHO C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)[C@@H](N)c1ccccc1 ZINC000261650647 145213437 /nfs/dbraw/zinc/21/34/37/145213437.db2.gz FEFLVTVOEQUHIF-DZJNRPSUSA-N 1 3 315.461 2.265 20 0 DEADHO Cc1ccc(C(=O)NCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000261754743 145222515 /nfs/dbraw/zinc/22/25/15/145222515.db2.gz PJCQGVJYTPWLAV-KZNAEPCWSA-N 1 3 315.461 2.235 20 0 DEADHO CN(C)CCOc1cccc(NC(=O)CCC2CC[NH2+]CC2)c1 ZINC000261769736 145224528 /nfs/dbraw/zinc/22/45/28/145224528.db2.gz QUDFUWCTFCQXPQ-UHFFFAOYSA-N 1 3 319.449 2.345 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261831994 145232181 /nfs/dbraw/zinc/23/21/81/145232181.db2.gz BRMPEOZHNNPWKO-UXLLHSPISA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)[C@H](C)[C@H](N)c2ccccc2)CC1 ZINC000262380966 145280288 /nfs/dbraw/zinc/28/02/88/145280288.db2.gz YSBQRKPCSLLKBQ-PBHICJAKSA-N 1 3 303.450 2.312 20 0 DEADHO [NH3+]Cc1cc(NC(=O)[C@H]2CCCCN2)cc(C(F)(F)F)c1 ZINC000262902134 145310391 /nfs/dbraw/zinc/31/03/91/145310391.db2.gz BMZTXZXNSOBTDC-GFCCVEGCSA-N 1 3 301.312 2.245 20 0 DEADHO [NH3+]Cc1cc(NC(=O)CNCC2CC2)cc(C(F)(F)F)c1 ZINC000263019853 145318799 /nfs/dbraw/zinc/31/87/99/145318799.db2.gz SLKRXBBWRXVLOS-UHFFFAOYSA-N 1 3 301.312 2.102 20 0 DEADHO CCOc1ccccc1OCCN1CCC(OCCC[NH3+])CC1 ZINC000321552258 145377131 /nfs/dbraw/zinc/37/71/31/145377131.db2.gz POHJPDOTWUJCOR-UHFFFAOYSA-N 1 3 322.449 2.294 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H]3CC3(C)C)CC2)CC1 ZINC000565193788 292144260 /nfs/dbraw/zinc/14/42/60/292144260.db2.gz APDSGSNBXMYYME-KRWDZBQOSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000346139650 146022760 /nfs/dbraw/zinc/02/27/60/146022760.db2.gz WQFAXEUSDUWXGR-HNNXBMFYSA-N 1 3 324.428 2.413 20 0 DEADHO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000346139650 146022761 /nfs/dbraw/zinc/02/27/61/146022761.db2.gz WQFAXEUSDUWXGR-HNNXBMFYSA-N 1 3 324.428 2.413 20 0 DEADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000346255930 146048531 /nfs/dbraw/zinc/04/85/31/146048531.db2.gz DJHIXPNTSQXLGK-KLHDSHLOSA-N 1 3 309.498 2.342 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000346289559 146054754 /nfs/dbraw/zinc/05/47/54/146054754.db2.gz QEQUDCZHMPGBKM-UBDQQSCGSA-N 1 3 315.461 2.456 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000346289558 146054921 /nfs/dbraw/zinc/05/49/21/146054921.db2.gz QEQUDCZHMPGBKM-SPUZQDLCSA-N 1 3 315.461 2.456 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]CCCN2CCCC2)[C@@H](C)C1 ZINC000346574341 146104595 /nfs/dbraw/zinc/10/45/95/146104595.db2.gz SXMNZOAOYDMTMU-ZWKOTPCHSA-N 1 3 311.514 2.199 20 0 DEADHO CCOc1c(OC)cc(CN2CCC(C[NH3+])CC2)cc1OC ZINC000346687177 146125018 /nfs/dbraw/zinc/12/50/18/146125018.db2.gz LINHHCUNEHFMRX-UHFFFAOYSA-N 1 3 308.422 2.273 20 0 DEADHO CC(C)[NH2+]CC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000565250627 292150781 /nfs/dbraw/zinc/15/07/81/292150781.db2.gz SRODAFDBMYKSGY-CZUORRHYSA-N 1 3 309.479 2.245 20 0 DEADHO COc1ccc(CN2CCCN(C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000346833874 146150553 /nfs/dbraw/zinc/15/05/53/146150553.db2.gz MSXXNIWFGPVCQX-SFHVURJKSA-N 1 3 317.477 2.203 20 0 DEADHO COC(=O)[C@@H](C)CN(Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000346848838 146153044 /nfs/dbraw/zinc/15/30/44/146153044.db2.gz OGUOIHRODLIHNH-DOTOQJQBSA-N 1 3 304.434 2.297 20 0 DEADHO COc1ccc(-c2n[nH]cc2CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000346853668 146153594 /nfs/dbraw/zinc/15/35/94/146153594.db2.gz MBGNHLMVWOVARQ-XKQJLSEDSA-N 1 3 312.417 2.254 20 0 DEADHO CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000348374897 146262530 /nfs/dbraw/zinc/26/25/30/146262530.db2.gz GKOLJRWEDOVMLL-NVXWUHKLSA-N 1 3 303.450 2.256 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000348636357 146293830 /nfs/dbraw/zinc/29/38/30/146293830.db2.gz ANUDLJQXKGPWJI-IRXDYDNUSA-N 1 3 322.497 2.131 20 0 DEADHO C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000348974812 146335670 /nfs/dbraw/zinc/33/56/70/146335670.db2.gz MKFMRQXQRDIUNI-IEBWSBKVSA-N 1 3 301.478 2.235 20 0 DEADHO C[C@H](CCc1ccccc1)C[N@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000348974812 146335673 /nfs/dbraw/zinc/33/56/73/146335673.db2.gz MKFMRQXQRDIUNI-IEBWSBKVSA-N 1 3 301.478 2.235 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)[C@@]12C[NH2+]C[C@H]1CCCC2 ZINC000357241358 147071016 /nfs/dbraw/zinc/07/10/16/147071016.db2.gz KRTAAVVMDCOLMF-NUJGCVRESA-N 1 3 307.482 2.147 20 0 DEADHO C[C@H](CNC(=O)[C@@H](CN)c1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000358869580 147222440 /nfs/dbraw/zinc/22/24/40/147222440.db2.gz YDRURLUTWQXCBI-PBHICJAKSA-N 1 3 321.440 2.106 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H](N)Cc2ccccc2)C1 ZINC000566065955 292201450 /nfs/dbraw/zinc/20/14/50/292201450.db2.gz TYYZENRRIUQJIM-ROUUACIJSA-N 1 3 317.477 2.183 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C[C@@H](N)Cc2ccccc2)C1 ZINC000566065955 292201451 /nfs/dbraw/zinc/20/14/51/292201451.db2.gz TYYZENRRIUQJIM-ROUUACIJSA-N 1 3 317.477 2.183 20 0 DEADHO CCCN(CCC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127470418 401736260 /nfs/dbraw/zinc/73/62/60/401736260.db2.gz KZKOVNYWJXYVIG-UHFFFAOYSA-N 1 3 324.513 2.377 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000127473913 401736553 /nfs/dbraw/zinc/73/65/53/401736553.db2.gz PVBDRSGPWTZWHI-GDBMZVCRSA-N 1 3 322.497 2.175 20 0 DEADHO CCCC[N@H+](C)CCNC(=O)NCc1cccc(CN(C)C)c1 ZINC000112440538 401745245 /nfs/dbraw/zinc/74/52/45/401745245.db2.gz XSUXCJXZORWGQT-UHFFFAOYSA-N 1 3 320.481 2.279 20 0 DEADHO CCCC[N@@H+](C)CCNC(=O)NCc1cccc(CN(C)C)c1 ZINC000112440538 401745248 /nfs/dbraw/zinc/74/52/48/401745248.db2.gz XSUXCJXZORWGQT-UHFFFAOYSA-N 1 3 320.481 2.279 20 0 DEADHO CC(C)C[C@H]1CCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000114456025 401800462 /nfs/dbraw/zinc/80/04/62/401800462.db2.gz GSFXXPRSDOQRNG-QGZVFWFLSA-N 1 3 309.498 2.486 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@](C)(O)C2)CC1 ZINC000129535962 401805223 /nfs/dbraw/zinc/80/52/23/401805223.db2.gz LWINMRKOWAXFKK-LJQANCHMSA-N 1 3 317.477 2.175 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@](C)(O)C2)CC1 ZINC000129535962 401805225 /nfs/dbraw/zinc/80/52/25/401805225.db2.gz LWINMRKOWAXFKK-LJQANCHMSA-N 1 3 317.477 2.175 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000129591078 401806350 /nfs/dbraw/zinc/80/63/50/401806350.db2.gz ACHHLDAVLSEVLZ-DLBZAZTESA-N 1 3 324.513 2.138 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000129591078 401806351 /nfs/dbraw/zinc/80/63/51/401806351.db2.gz ACHHLDAVLSEVLZ-DLBZAZTESA-N 1 3 324.513 2.138 20 0 DEADHO CC[N@H+](C)CCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000112925552 401761581 /nfs/dbraw/zinc/76/15/81/401761581.db2.gz LHOMECRSZVTWMJ-INIZCTEOSA-N 1 3 321.440 2.106 20 0 DEADHO CC[N@@H+](C)CCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000112925552 401761584 /nfs/dbraw/zinc/76/15/84/401761584.db2.gz LHOMECRSZVTWMJ-INIZCTEOSA-N 1 3 321.440 2.106 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC000075768601 401768420 /nfs/dbraw/zinc/76/84/20/401768420.db2.gz RMBHBZNHMAFCDI-RDJZCZTQSA-N 1 3 307.482 2.240 20 0 DEADHO Cc1ccc([C@H](CNC(=O)C[C@@H]2CC[NH2+]C2)N2CCCC2)cc1 ZINC000130570588 401835487 /nfs/dbraw/zinc/83/54/87/401835487.db2.gz LCWUPKQUUYWJIJ-WMZOPIPTSA-N 1 3 315.461 2.248 20 0 DEADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(C2CCCC2)CC1 ZINC000079292052 401872068 /nfs/dbraw/zinc/87/20/68/401872068.db2.gz FVTNJGWNQLVNGT-MRXNPFEDSA-N 1 3 322.497 2.131 20 0 DEADHO C[C@H]1C[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CN1C1CC1 ZINC000119177774 401931140 /nfs/dbraw/zinc/93/11/40/401931140.db2.gz VLVDLQJHLHGMNK-STQMWFEESA-N 1 3 322.497 2.220 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCN1CCc2sccc2C1 ZINC000132859380 401875605 /nfs/dbraw/zinc/87/56/05/401875605.db2.gz MHDBBEMGDBBQPX-FMKPAKJESA-N 1 3 307.507 2.425 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCN1CCc2sccc2C1 ZINC000132859380 401875609 /nfs/dbraw/zinc/87/56/09/401875609.db2.gz MHDBBEMGDBBQPX-FMKPAKJESA-N 1 3 307.507 2.425 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](NCCc2cscn2)[C@H](C)C1 ZINC000134857174 401916808 /nfs/dbraw/zinc/91/68/08/401916808.db2.gz UAAPGHKVFLYOFE-ZBFHGGJFSA-N 1 3 311.495 2.412 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](NCCc2cscn2)[C@H](C)C1 ZINC000134857174 401916810 /nfs/dbraw/zinc/91/68/10/401916810.db2.gz UAAPGHKVFLYOFE-ZBFHGGJFSA-N 1 3 311.495 2.412 20 0 DEADHO CC[NH+](CC)C[C@H]1CCN(C(=O)C[C@@H](N)c2ccccc2)C1 ZINC000119742499 401964909 /nfs/dbraw/zinc/96/49/09/401964909.db2.gz BQPPUTGBAPHWLL-NVXWUHKLSA-N 1 3 303.450 2.267 20 0 DEADHO CC[N@@H+]1CC[C@@H](NCCNc2cc(OC)cc(OC)c2)[C@H](C)C1 ZINC000090719314 401987128 /nfs/dbraw/zinc/98/71/28/401987128.db2.gz DBHCJJSIKASFHR-RDTXWAMCSA-N 1 3 321.465 2.436 20 0 DEADHO CC[N@H+]1CC[C@@H](NCCNc2cc(OC)cc(OC)c2)[C@H](C)C1 ZINC000090719314 401987129 /nfs/dbraw/zinc/98/71/29/401987129.db2.gz DBHCJJSIKASFHR-RDTXWAMCSA-N 1 3 321.465 2.436 20 0 DEADHO CCC[C@H]1CN(CCCn2ccnc2C)CC[N@@H+]1CCOC ZINC000121868745 402055476 /nfs/dbraw/zinc/05/54/76/402055476.db2.gz NTSNYBOOIPWDAG-KRWDZBQOSA-N 1 3 308.470 2.014 20 0 DEADHO CCC[C@H]1CN(CCCn2ccnc2C)CC[N@H+]1CCOC ZINC000121868745 402055479 /nfs/dbraw/zinc/05/54/79/402055479.db2.gz NTSNYBOOIPWDAG-KRWDZBQOSA-N 1 3 308.470 2.014 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1[nH]c(C)cc1C ZINC000152168941 402080146 /nfs/dbraw/zinc/08/01/46/402080146.db2.gz PHUIMJHGZKVVMI-MRXNPFEDSA-N 1 3 320.481 2.120 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1[nH]c(C)cc1C ZINC000152168941 402080149 /nfs/dbraw/zinc/08/01/49/402080149.db2.gz PHUIMJHGZKVVMI-MRXNPFEDSA-N 1 3 320.481 2.120 20 0 DEADHO CN(CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000066923861 402146721 /nfs/dbraw/zinc/14/67/21/402146721.db2.gz NFPLTOIFAUSZCC-QGZVFWFLSA-N 1 3 315.461 2.109 20 0 DEADHO CN(CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000066923861 402146723 /nfs/dbraw/zinc/14/67/23/402146723.db2.gz NFPLTOIFAUSZCC-QGZVFWFLSA-N 1 3 315.461 2.109 20 0 DEADHO C[N@H+](CCCN1CCCCC1)C[C@@H](O)COCc1ccccc1 ZINC000125173113 402217411 /nfs/dbraw/zinc/21/74/11/402217411.db2.gz JVRICAKOTOPTPU-LJQANCHMSA-N 1 3 320.477 2.372 20 0 DEADHO C[N@@H+](CCCN1CCCCC1)C[C@@H](O)COCc1ccccc1 ZINC000125173113 402217414 /nfs/dbraw/zinc/21/74/14/402217414.db2.gz JVRICAKOTOPTPU-LJQANCHMSA-N 1 3 320.477 2.372 20 0 DEADHO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000106920015 402222954 /nfs/dbraw/zinc/22/29/54/402222954.db2.gz SOOBLDXTECAVLM-XUWVNRHRSA-N 1 3 307.482 2.381 20 0 DEADHO C[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000106920015 402222957 /nfs/dbraw/zinc/22/29/57/402222957.db2.gz SOOBLDXTECAVLM-XUWVNRHRSA-N 1 3 307.482 2.381 20 0 DEADHO CC[C@@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000125379098 402228777 /nfs/dbraw/zinc/22/87/77/402228777.db2.gz CQLSGUJUIATYID-MSOLQXFVSA-N 1 3 317.477 2.307 20 0 DEADHO CC[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000125379098 402228781 /nfs/dbraw/zinc/22/87/81/402228781.db2.gz CQLSGUJUIATYID-MSOLQXFVSA-N 1 3 317.477 2.307 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000105129537 402206875 /nfs/dbraw/zinc/20/68/75/402206875.db2.gz SOVQILGYXMPWMZ-IRXDYDNUSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000105129537 402206877 /nfs/dbraw/zinc/20/68/77/402206877.db2.gz SOVQILGYXMPWMZ-IRXDYDNUSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000105128419 402206996 /nfs/dbraw/zinc/20/69/96/402206996.db2.gz KJWCCAFUBOVCFY-BBWFWOEESA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000105128419 402206997 /nfs/dbraw/zinc/20/69/97/402206997.db2.gz KJWCCAFUBOVCFY-BBWFWOEESA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)CC1CC1 ZINC000184582840 402278971 /nfs/dbraw/zinc/27/89/71/402278971.db2.gz DIXMKDGITCUEJR-KRWDZBQOSA-N 1 3 303.450 2.137 20 0 DEADHO CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)CC1CC1 ZINC000184582840 402278974 /nfs/dbraw/zinc/27/89/74/402278974.db2.gz DIXMKDGITCUEJR-KRWDZBQOSA-N 1 3 303.450 2.137 20 0 DEADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(CN(C)C)c1 ZINC000176310088 402299012 /nfs/dbraw/zinc/29/90/12/402299012.db2.gz GDTBYSRKXRIZSC-MSOLQXFVSA-N 1 3 315.461 2.447 20 0 DEADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(CN(C)C)c1 ZINC000176310088 402299013 /nfs/dbraw/zinc/29/90/13/402299013.db2.gz GDTBYSRKXRIZSC-MSOLQXFVSA-N 1 3 315.461 2.447 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H](C[NH3+])C(C)C)c1ccccc1 ZINC000236883220 402386876 /nfs/dbraw/zinc/38/68/76/402386876.db2.gz XIFZSXKDPKTXIG-IAGOWNOFSA-N 1 3 305.466 2.417 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)CN1C1CC1 ZINC000185798896 402378325 /nfs/dbraw/zinc/37/83/25/402378325.db2.gz MTCVIKNTSRAJDV-CABCVRRESA-N 1 3 322.497 2.033 20 0 DEADHO CCCC[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000236761825 402380653 /nfs/dbraw/zinc/38/06/53/402380653.db2.gz LOPQNQYKJMZVSW-ZWKOTPCHSA-N 1 3 317.477 2.185 20 0 DEADHO CCCC[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000236761825 402380655 /nfs/dbraw/zinc/38/06/55/402380655.db2.gz LOPQNQYKJMZVSW-ZWKOTPCHSA-N 1 3 317.477 2.185 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)CC2CC[NH2+]CC2)cc1 ZINC000236760739 402381127 /nfs/dbraw/zinc/38/11/27/402381127.db2.gz YIPARLAXDAEBPQ-QGZVFWFLSA-N 1 3 303.450 2.316 20 0 DEADHO CCCC[C@H]([NH3+])C(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000236804238 402383119 /nfs/dbraw/zinc/38/31/19/402383119.db2.gz WRSORBQVISMKSX-MSOLQXFVSA-N 1 3 317.477 2.457 20 0 DEADHO C[C@@H]1CCC[C@](CNC(=O)N(C)CCN(C)C2CC2)([NH+](C)C)C1 ZINC000185214472 402335288 /nfs/dbraw/zinc/33/52/88/402335288.db2.gz MVJHLMTVUGLLDQ-QAPCUYQASA-N 1 3 324.513 2.233 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@@]2(C)CCCC[NH2+]2)N(C)C)cc1 ZINC000237197748 402398878 /nfs/dbraw/zinc/39/88/78/402398878.db2.gz ILTKRVVEXXVFNR-SJLPKXTDSA-N 1 3 303.450 2.246 20 0 DEADHO C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000237308112 402403346 /nfs/dbraw/zinc/40/33/46/402403346.db2.gz XIWWWTBDRHTFQQ-GDBMZVCRSA-N 1 3 321.440 2.009 20 0 DEADHO C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)C[NH3+])CCN1Cc1ccccc1 ZINC000237378281 402406322 /nfs/dbraw/zinc/40/63/22/402406322.db2.gz IEDZSPMSJRMGMI-NVXWUHKLSA-N 1 3 317.477 2.483 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@]2(C)CCCCN2)C1 ZINC000237549072 402412409 /nfs/dbraw/zinc/41/24/09/402412409.db2.gz DNIVWVJTOIRWAN-JFIYKMOQSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@H](CC(=O)NCc1ccccc1CN(C)C)[C@H]1CCC[NH2+]C1 ZINC000237667252 402417157 /nfs/dbraw/zinc/41/71/57/402417157.db2.gz UNYINGJTGHJVIK-CVEARBPZSA-N 1 3 317.477 2.390 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000177584488 402418100 /nfs/dbraw/zinc/41/81/00/402418100.db2.gz RYMXBVDNGRUXPF-IRXDYDNUSA-N 1 3 303.450 2.351 20 0 DEADHO NC[C@@H](C(=O)NCCC[NH+]1CCCCCC1)c1ccccc1 ZINC000238022624 402432280 /nfs/dbraw/zinc/43/22/80/402432280.db2.gz GBFIXDAWMXXMNI-QGZVFWFLSA-N 1 3 303.450 2.111 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H](C)c2sc(C)nc2C)CC1 ZINC000178003457 402451753 /nfs/dbraw/zinc/45/17/53/402451753.db2.gz ZKMCDMGYNCGAES-CYBMUJFWSA-N 1 3 310.511 2.438 20 0 DEADHO CC[C@H](CNC(=O)[C@@H]([NH3+])[C@@H](C)CC)N1CCc2ccccc2C1 ZINC000237036809 402392284 /nfs/dbraw/zinc/39/22/84/402392284.db2.gz BODAKCGCSAJPOB-QGTPRVQTSA-N 1 3 317.477 2.313 20 0 DEADHO CC[C@H](C)[C@@H](N)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000237058832 402392805 /nfs/dbraw/zinc/39/28/05/402392805.db2.gz ZAUWLXFSPYABSC-KBXCAEBGSA-N 1 3 317.477 2.449 20 0 DEADHO CC[C@H](C)[C@@H](N)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000237081113 402394215 /nfs/dbraw/zinc/39/42/15/402394215.db2.gz VVLFUROCXPXYNL-WMLDXEAASA-N 1 3 321.465 2.007 20 0 DEADHO CCN1CC[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000178035680 402454292 /nfs/dbraw/zinc/45/42/92/402454292.db2.gz CXSYDXYEGDOCEF-BDXSIMOUSA-N 1 3 311.514 2.196 20 0 DEADHO C[C@H](O)CCN(C)Cc1cccc(C[N@H+](C)CC[C@H](C)O)c1 ZINC000245454436 402461949 /nfs/dbraw/zinc/46/19/49/402461949.db2.gz RYYZOFLPNYOWDH-HOTGVXAUSA-N 1 3 308.466 2.092 20 0 DEADHO C[C@H](O)CCN(C)Cc1cccc(C[N@@H+](C)CC[C@H](C)O)c1 ZINC000245454436 402461952 /nfs/dbraw/zinc/46/19/52/402461952.db2.gz RYYZOFLPNYOWDH-HOTGVXAUSA-N 1 3 308.466 2.092 20 0 DEADHO CC[C@H](N)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000169207083 402500494 /nfs/dbraw/zinc/50/04/94/402500494.db2.gz MBYVXFRSVSYDPD-KRWDZBQOSA-N 1 3 318.465 2.140 20 0 DEADHO C[C@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000178841264 402545564 /nfs/dbraw/zinc/54/55/64/402545564.db2.gz ULFXERJTYLGXKF-WMZOPIPTSA-N 1 3 315.461 2.252 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)N(C)C ZINC000247004315 402552583 /nfs/dbraw/zinc/55/25/83/402552583.db2.gz LVJVDGLCAZETFG-BRWVUGGUSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)N(C)C ZINC000247004315 402552585 /nfs/dbraw/zinc/55/25/85/402552585.db2.gz LVJVDGLCAZETFG-BRWVUGGUSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCCN(C)C2)C1 ZINC000247196137 402559101 /nfs/dbraw/zinc/55/91/01/402559101.db2.gz QRJYBRRCFMJLSS-JKSUJKDBSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCCN(C)C2)C1 ZINC000247196137 402559103 /nfs/dbraw/zinc/55/91/03/402559103.db2.gz QRJYBRRCFMJLSS-JKSUJKDBSA-N 1 3 324.513 2.138 20 0 DEADHO CN(CC1CC[NH2+]CC1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000178972881 402560708 /nfs/dbraw/zinc/56/07/08/402560708.db2.gz QXKFRBXAWXDYKO-MRXNPFEDSA-N 1 3 321.852 2.377 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000247404506 402566118 /nfs/dbraw/zinc/56/61/18/402566118.db2.gz ICZDPZIGMLBSKI-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO CCC[C@H](N)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000178731258 402532129 /nfs/dbraw/zinc/53/21/29/402532129.db2.gz TXEUEXJFZPDWQL-KRWDZBQOSA-N 1 3 303.450 2.142 20 0 DEADHO NC1(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCCC1 ZINC000178761141 402535953 /nfs/dbraw/zinc/53/59/53/402535953.db2.gz DGXPVYVLVLUJPN-MRXNPFEDSA-N 1 3 307.482 2.373 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000179718356 402598994 /nfs/dbraw/zinc/59/89/94/402598994.db2.gz MVHIVOSIOIRUFG-WMZOPIPTSA-N 1 3 317.477 2.498 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000179718356 402598996 /nfs/dbraw/zinc/59/89/96/402598996.db2.gz MVHIVOSIOIRUFG-WMZOPIPTSA-N 1 3 317.477 2.498 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NC3CC(C)C3)CC2)CC1 ZINC000566445689 292241320 /nfs/dbraw/zinc/24/13/20/292241320.db2.gz ACIPHZKLWJATHK-UHFFFAOYSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN(C)CC2CCCCC2)CC1 ZINC000172243358 402646765 /nfs/dbraw/zinc/64/67/65/402646765.db2.gz OABVWQDWKMYVKM-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CCO[C@H]1C[C@H]([NH2+]CCCCN2CCN(CC)CC2)C12CCC2 ZINC000181493526 402647312 /nfs/dbraw/zinc/64/73/12/402647312.db2.gz XNLNPXAUGJBQIX-ROUUACIJSA-N 1 3 323.525 2.341 20 0 DEADHO CCO[C@@H]1C[C@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)C12CCC2 ZINC000181775535 402656624 /nfs/dbraw/zinc/65/66/24/402656624.db2.gz YSHBEHYTIYWEKY-RYQLBKOJSA-N 1 3 322.493 2.425 20 0 DEADHO C[C@H]([NH3+])C1CCN(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000261858099 402718847 /nfs/dbraw/zinc/71/88/47/402718847.db2.gz FKZSSOXWIKVNRL-XIRDDKMYSA-N 1 3 307.482 2.227 20 0 DEADHO N[C@@H](CC1CCCCC1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262539444 402726671 /nfs/dbraw/zinc/72/66/71/402726671.db2.gz QWIOQQVQIVIDIN-IRXDYDNUSA-N 1 3 307.482 2.371 20 0 DEADHO O=C(C[C@H]1CCC[NH2+]1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000194017980 402781329 /nfs/dbraw/zinc/78/13/29/402781329.db2.gz UFKICZOCUFFUDX-SJORKVTESA-N 1 3 301.434 2.082 20 0 DEADHO Cc1ccncc1[C@H](C)[NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000271459353 402873082 /nfs/dbraw/zinc/87/30/82/402873082.db2.gz FZENFPRFTZHYRR-WBAXXEDZSA-N 1 3 303.450 2.418 20 0 DEADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C[NH3+])CC(C)C)N(C)C)cc1 ZINC000417310209 292252740 /nfs/dbraw/zinc/25/27/40/292252740.db2.gz JSGDRJQZRIYSQI-SJORKVTESA-N 1 3 320.481 2.270 20 0 DEADHO CC(C)C(=O)NCC[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272566015 402954026 /nfs/dbraw/zinc/95/40/26/402954026.db2.gz HICCITOHQJTWKK-FUHWJXTLSA-N 1 3 317.477 2.259 20 0 DEADHO CC(C)C(=O)NCCN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272566015 402954028 /nfs/dbraw/zinc/95/40/28/402954028.db2.gz HICCITOHQJTWKK-FUHWJXTLSA-N 1 3 317.477 2.259 20 0 DEADHO CC(C)C(=O)NCCN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272566015 402954030 /nfs/dbraw/zinc/95/40/30/402954030.db2.gz HICCITOHQJTWKK-FUHWJXTLSA-N 1 3 317.477 2.259 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)/C=C/C[NH+](C)C ZINC000265871532 402958048 /nfs/dbraw/zinc/95/80/48/402958048.db2.gz JFISAEHNNUQJIP-ZBZNSMLMSA-N 1 3 315.461 2.227 20 0 DEADHO CN1CC[NH+](CC2CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000265414916 402916843 /nfs/dbraw/zinc/91/68/43/402916843.db2.gz GKGXTPXBZOTWEI-UHFFFAOYSA-N 1 3 305.441 2.285 20 0 DEADHO C[NH+](C)C/C=C/C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000265593108 402931755 /nfs/dbraw/zinc/93/17/55/402931755.db2.gz BCGXHAGMGKMNRY-LWUPOJRFSA-N 1 3 321.490 2.194 20 0 DEADHO OC1CC[NH+](CCCN[C@@H](c2cccnc2)C2CCC2)CC1 ZINC000280778294 403035956 /nfs/dbraw/zinc/03/59/56/403035956.db2.gz GQNBKDSJHCLSSR-GOSISDBHSA-N 1 3 303.450 2.359 20 0 DEADHO C[C@@H]([NH2+]CCNC(=O)C1CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274825133 403091554 /nfs/dbraw/zinc/09/15/54/403091554.db2.gz CEPPEXOYWYGGIO-CRAIPNDOSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@@H](NCCNC(=O)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274825133 403091556 /nfs/dbraw/zinc/09/15/56/403091556.db2.gz CEPPEXOYWYGGIO-CRAIPNDOSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@@H](NCCNC(=O)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274825133 403091559 /nfs/dbraw/zinc/09/15/59/403091559.db2.gz CEPPEXOYWYGGIO-CRAIPNDOSA-N 1 3 315.461 2.013 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@]23CCC[C@@H]2C[NH2+]C3)N(C)C)cc1 ZINC000280948220 403053046 /nfs/dbraw/zinc/05/30/46/403053046.db2.gz XBFFZXFWSRUFFY-AOIWGVFYSA-N 1 3 315.461 2.104 20 0 DEADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)/C=C/C[NH+](C)C ZINC000274577589 403069058 /nfs/dbraw/zinc/06/90/58/403069058.db2.gz RUKZHLSQWWXCAC-ZPHJMFTNSA-N 1 3 317.477 2.377 20 0 DEADHO C[NH+](C)C1CCN(CCN[C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281806088 403093707 /nfs/dbraw/zinc/09/37/07/403093707.db2.gz YREMRWYFWQJCOW-GOSISDBHSA-N 1 3 320.456 2.287 20 0 DEADHO COc1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)cc1OC ZINC000268449502 403084289 /nfs/dbraw/zinc/08/42/89/403084289.db2.gz VOBHVLOHFUOHAO-UHFFFAOYSA-N 1 3 322.449 2.029 20 0 DEADHO Cc1cccc(C(=O)NCCN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000268769568 403112405 /nfs/dbraw/zinc/11/24/05/403112405.db2.gz DKMHLFFSQPHZAU-ZMSDIMECSA-N 1 3 303.450 2.043 20 0 DEADHO Cc1cccc(C(=O)NCCN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000268769568 403112406 /nfs/dbraw/zinc/11/24/06/403112406.db2.gz DKMHLFFSQPHZAU-ZMSDIMECSA-N 1 3 303.450 2.043 20 0 DEADHO CC(C)(C)C1CCC(C[N@@H+]2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000566629975 292257142 /nfs/dbraw/zinc/25/71/42/292257142.db2.gz MZWMGIIGTWXFAH-CKUJCDMFSA-N 1 3 307.482 2.083 20 0 DEADHO CC(C)(C)C1CCC(C[N@H+]2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000566629975 292257143 /nfs/dbraw/zinc/25/71/43/292257143.db2.gz MZWMGIIGTWXFAH-CKUJCDMFSA-N 1 3 307.482 2.083 20 0 DEADHO Cc1cccc(OC[C@H](O)CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000268802280 403115334 /nfs/dbraw/zinc/11/53/34/403115334.db2.gz BLIYLCBDDWHENU-YFHUEUNASA-N 1 3 306.450 2.053 20 0 DEADHO Cc1cccc(OC[C@H](O)CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000268802280 403115335 /nfs/dbraw/zinc/11/53/35/403115335.db2.gz BLIYLCBDDWHENU-YFHUEUNASA-N 1 3 306.450 2.053 20 0 DEADHO C[C@H]1CN(C(=O)C2CCN(Cc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000269275340 403127104 /nfs/dbraw/zinc/12/71/04/403127104.db2.gz OJWAXURITXAGKN-MAUKXSAKSA-N 1 3 315.461 2.094 20 0 DEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCC23CCC3)cc1 ZINC000282331800 403143643 /nfs/dbraw/zinc/14/36/43/403143643.db2.gz UVAXNXAYQUVCAD-KRWDZBQOSA-N 1 3 315.461 2.400 20 0 DEADHO COC1CCN(C(C)(C)CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339072675 403343424 /nfs/dbraw/zinc/34/34/24/403343424.db2.gz YYVQXADSADINFX-HOTGVXAUSA-N 1 3 309.498 2.092 20 0 DEADHO COC1CCN(C(C)(C)CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339072675 403343427 /nfs/dbraw/zinc/34/34/27/403343427.db2.gz YYVQXADSADINFX-HOTGVXAUSA-N 1 3 309.498 2.092 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH2+]2)CN1Cc1ccccc1 ZINC000292182520 403314435 /nfs/dbraw/zinc/31/44/35/403314435.db2.gz WWWBHMIAGUAAJQ-BPQIPLTHSA-N 1 3 315.461 2.298 20 0 DEADHO COC(=O)C(C)(C)CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298187200 403326881 /nfs/dbraw/zinc/32/68/81/403326881.db2.gz WMVVTNDFYCNDGB-UHFFFAOYSA-N 1 3 305.422 2.229 20 0 DEADHO CC[NH+]1CCC(N[C@@H](C)[C@@H](Cc2ccccc2)C(=O)OC)CC1 ZINC000342845260 403370083 /nfs/dbraw/zinc/37/00/83/403370083.db2.gz XBEYZJFAJIIXMN-MAUKXSAKSA-N 1 3 318.461 2.481 20 0 DEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000285939558 403414868 /nfs/dbraw/zinc/41/48/68/403414868.db2.gz FVTRGMGUOHHCIP-HNNXBMFYSA-N 1 3 321.440 2.106 20 0 DEADHO CC(C)COC[C@H](O)CNCc1ccccc1C[NH+]1CCCC1 ZINC000566850521 292272330 /nfs/dbraw/zinc/27/23/30/292272330.db2.gz FKZAMCVYBFRDJB-LJQANCHMSA-N 1 3 320.477 2.406 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)N(CC)CC ZINC000345682359 403434560 /nfs/dbraw/zinc/43/45/60/403434560.db2.gz XFFICCVBYLXCAA-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N(CC)CC ZINC000345682359 403434562 /nfs/dbraw/zinc/43/45/62/403434562.db2.gz XFFICCVBYLXCAA-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H](N)CC(F)F)c1ccccc1 ZINC000345704624 403445415 /nfs/dbraw/zinc/44/54/15/403445415.db2.gz FESQJFPITBUMPO-DGCLKSJQSA-N 1 3 313.392 2.215 20 0 DEADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000343129497 403471498 /nfs/dbraw/zinc/47/14/98/403471498.db2.gz DWFUSGDJTKJVLY-DLBZAZTESA-N 1 3 321.509 2.347 20 0 DEADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000343129497 403471505 /nfs/dbraw/zinc/47/15/05/403471505.db2.gz DWFUSGDJTKJVLY-DLBZAZTESA-N 1 3 321.509 2.347 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000293782698 403563012 /nfs/dbraw/zinc/56/30/12/403563012.db2.gz TZLTUYOVNDEJQH-KGLIPLIRSA-N 1 3 307.438 2.200 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)NC[C@@H](C)C[NH+](C)C ZINC000293782698 403563013 /nfs/dbraw/zinc/56/30/13/403563013.db2.gz TZLTUYOVNDEJQH-KGLIPLIRSA-N 1 3 307.438 2.200 20 0 DEADHO CC(C)NC(=O)CCN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340175080 403571562 /nfs/dbraw/zinc/57/15/62/403571562.db2.gz WXSCRTISBOWCOE-IRXDYDNUSA-N 1 3 303.450 2.326 20 0 DEADHO CC(C)NC(=O)CCN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340175080 403571565 /nfs/dbraw/zinc/57/15/65/403571565.db2.gz WXSCRTISBOWCOE-IRXDYDNUSA-N 1 3 303.450 2.326 20 0 DEADHO CC[C@H](C)[C@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000347274904 403645577 /nfs/dbraw/zinc/64/55/77/403645577.db2.gz RPDHMUJINLVSGP-BQFCYCMXSA-N 1 3 319.493 2.300 20 0 DEADHO COC1CC([NH2+]CCCCN2CCN(c3ccccc3)CC2)C1 ZINC000347245548 403634305 /nfs/dbraw/zinc/63/43/05/403634305.db2.gz WFNBCFJFWBWWPB-UHFFFAOYSA-N 1 3 317.477 2.356 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NCc2ccc(C[NH+](C)C)cc2)CCCN1C ZINC000343588909 403652881 /nfs/dbraw/zinc/65/28/81/403652881.db2.gz GKLKMWNGYRXHSZ-RHSMWYFYSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@H]1[C@H](NC(=O)NCC2([NH+](C)C)CCCCCC2)CCCN1C ZINC000343612221 403662532 /nfs/dbraw/zinc/66/25/32/403662532.db2.gz FKABQDBERWNUAK-JKSUJKDBSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)CCN1C ZINC000340857138 403676652 /nfs/dbraw/zinc/67/66/52/403676652.db2.gz FZYVSBBIXCJFNJ-GJZGRUSLSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H](c1cccnc1)N1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000343720191 403706758 /nfs/dbraw/zinc/70/67/58/403706758.db2.gz ANVQQGSLZDOGAV-CVEARBPZSA-N 1 3 302.466 2.243 20 0 DEADHO C[C@@H](c1cccnc1)N1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000343720191 403706761 /nfs/dbraw/zinc/70/67/61/403706761.db2.gz ANVQQGSLZDOGAV-CVEARBPZSA-N 1 3 302.466 2.243 20 0 DEADHO C[C@@H]1[C@H](NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CCCN1C ZINC000343861633 403764128 /nfs/dbraw/zinc/76/41/28/403764128.db2.gz GRTILKZATJPDSD-DJIMGWMZSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H]1[C@H](NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCCN1C ZINC000343861633 403764130 /nfs/dbraw/zinc/76/41/30/403764130.db2.gz GRTILKZATJPDSD-DJIMGWMZSA-N 1 3 322.497 2.033 20 0 DEADHO C(Cc1nnc2n1CCCCC2)N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000333347966 403730453 /nfs/dbraw/zinc/73/04/53/403730453.db2.gz ZRTMUPVDSMIIIZ-BZUAXINKSA-N 1 3 317.481 2.057 20 0 DEADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc2c(c1)CNC2 ZINC000347503261 403732563 /nfs/dbraw/zinc/73/25/63/403732563.db2.gz JKVQBOCFLLBHSI-RBSFLKMASA-N 1 3 315.461 2.386 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)N[C@@H]2CCCN(C)[C@@H]2C)CC1 ZINC000343801100 403738381 /nfs/dbraw/zinc/73/83/81/403738381.db2.gz QQOWHKXMVZOVQL-IAGOWNOFSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCN1CCC(C)CC1 ZINC000302990144 403744651 /nfs/dbraw/zinc/74/46/51/403744651.db2.gz LDPONCYRNSOHNS-DLBZAZTESA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCN1CCC(C)CC1 ZINC000302990144 403744652 /nfs/dbraw/zinc/74/46/52/403744652.db2.gz LDPONCYRNSOHNS-DLBZAZTESA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)[N@H+]1C[C@H](NC(=O)Nc2ccc3c(c2)CNCC3)[C@@H](C)C1 ZINC000333404073 403744834 /nfs/dbraw/zinc/74/48/34/403744834.db2.gz ZAFJIZIOMPHYAU-GUYCJALGSA-N 1 3 316.449 2.183 20 0 DEADHO CC(C)[N@@H+]1C[C@H](NC(=O)Nc2ccc3c(c2)CNCC3)[C@@H](C)C1 ZINC000333404073 403744839 /nfs/dbraw/zinc/74/48/39/403744839.db2.gz ZAFJIZIOMPHYAU-GUYCJALGSA-N 1 3 316.449 2.183 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCN1CCC[C@H](C)C1 ZINC000303613382 403756451 /nfs/dbraw/zinc/75/64/51/403756451.db2.gz OTFDNDQOULLAFO-IRXDYDNUSA-N 1 3 324.513 2.282 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NCCN1CCC[C@H](C)C1 ZINC000303613382 403756452 /nfs/dbraw/zinc/75/64/52/403756452.db2.gz OTFDNDQOULLAFO-IRXDYDNUSA-N 1 3 324.513 2.282 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N[C@@H]1CCCN(C)[C@H]1C)C(C)C ZINC000343850081 403757924 /nfs/dbraw/zinc/75/79/24/403757924.db2.gz KEGKXEAHVVYCCF-JKSUJKDBSA-N 1 3 312.502 2.277 20 0 DEADHO CSC[C@H](CCO)NC1CC[NH+](C2CCCCC2)CC1 ZINC000305105987 403833571 /nfs/dbraw/zinc/83/35/71/403833571.db2.gz BJUVNMAPAUBWCS-HNNXBMFYSA-N 1 3 300.512 2.487 20 0 DEADHO CSC[C@H](CCO)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000305105987 403833575 /nfs/dbraw/zinc/83/35/75/403833575.db2.gz BJUVNMAPAUBWCS-HNNXBMFYSA-N 1 3 300.512 2.487 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000295210762 403797902 /nfs/dbraw/zinc/79/79/02/403797902.db2.gz PYTYFGMFPVAAIS-LZLYRXPVSA-N 1 3 317.477 2.401 20 0 DEADHO C[C@@H]1CC2(CN1Cc1cc(-c3cnn(C)c3)no1)CC[NH2+]CC2 ZINC000333634824 403798624 /nfs/dbraw/zinc/79/86/24/403798624.db2.gz WIGYIZNCLYPMOP-CYBMUJFWSA-N 1 3 315.421 2.039 20 0 DEADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000347752101 403844626 /nfs/dbraw/zinc/84/46/26/403844626.db2.gz MRUHGQZMMALSBI-SJORKVTESA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H](CN(C)C)NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000289150444 403852551 /nfs/dbraw/zinc/85/25/51/403852551.db2.gz VGQMMRGKNSSMLY-HNNXBMFYSA-N 1 3 318.465 2.032 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000333787692 403860477 /nfs/dbraw/zinc/86/04/77/403860477.db2.gz FRIMZMYFMILKIF-IXDOHACOSA-N 1 3 322.497 2.162 20 0 DEADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2C[C@H](C)CCN2)CC1 ZINC000336859395 403930512 /nfs/dbraw/zinc/93/05/12/403930512.db2.gz HEVPBCXVSGVDRJ-NVXWUHKLSA-N 1 3 309.498 2.345 20 0 DEADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2C[C@H](C)CCN2)CC1 ZINC000336859395 403930518 /nfs/dbraw/zinc/93/05/18/403930518.db2.gz HEVPBCXVSGVDRJ-NVXWUHKLSA-N 1 3 309.498 2.345 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)CC(F)F ZINC000411820498 403982574 /nfs/dbraw/zinc/98/25/74/403982574.db2.gz HIMRTCCCCJPCFR-KBPBESRZSA-N 1 3 319.440 2.152 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)CC(F)F ZINC000411820498 403982577 /nfs/dbraw/zinc/98/25/77/403982577.db2.gz HIMRTCCCCJPCFR-KBPBESRZSA-N 1 3 319.440 2.152 20 0 DEADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H](C)NC2CC2)c1 ZINC000295594288 403998529 /nfs/dbraw/zinc/99/85/29/403998529.db2.gz CHAJZDXDZVKMKQ-CQSZACIVSA-N 1 3 303.450 2.284 20 0 DEADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](C)NC2CC2)c1 ZINC000295594288 403998535 /nfs/dbraw/zinc/99/85/35/403998535.db2.gz CHAJZDXDZVKMKQ-CQSZACIVSA-N 1 3 303.450 2.284 20 0 DEADHO C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)COC[C@H]1CCCO1 ZINC000316121033 404022810 /nfs/dbraw/zinc/02/28/10/404022810.db2.gz LPAVTXSKFMELCZ-XMTFNYHQSA-N 1 3 310.482 2.473 20 0 DEADHO Cn1cc([C@H](O)C[C@@H]2CCCN2CC[C@H]2CCCC[N@@H+]2C)cn1 ZINC000369255732 404024369 /nfs/dbraw/zinc/02/43/69/404024369.db2.gz WQMKSZLLEPZTQH-FGTMMUONSA-N 1 3 320.481 2.182 20 0 DEADHO Cn1cc([C@H](O)C[C@@H]2CCCN2CC[C@H]2CCCC[N@H+]2C)cn1 ZINC000369255732 404024374 /nfs/dbraw/zinc/02/43/74/404024374.db2.gz WQMKSZLLEPZTQH-FGTMMUONSA-N 1 3 320.481 2.182 20 0 DEADHO C[C@@H]1C[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000344193595 403969741 /nfs/dbraw/zinc/96/97/41/403969741.db2.gz NSYBLHBALJYKIJ-KBAYOESNSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1C[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000344193595 403969746 /nfs/dbraw/zinc/96/97/46/403969746.db2.gz NSYBLHBALJYKIJ-KBAYOESNSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000341456264 403978014 /nfs/dbraw/zinc/97/80/14/403978014.db2.gz FSBNQUCUYUNGGU-IRXDYDNUSA-N 1 3 322.497 2.131 20 0 DEADHO CC[C@@H]1CC[C@H]1[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000348073039 404033284 /nfs/dbraw/zinc/03/32/84/404033284.db2.gz ZENKALPIBJQXPM-SJLPKXTDSA-N 1 3 302.466 2.372 20 0 DEADHO COc1cccc(CN(C)CCC[N@H+](C)CCN(C)C)c1OC ZINC000290222538 404085972 /nfs/dbraw/zinc/08/59/72/404085972.db2.gz RXEPEMNAWIRMIA-UHFFFAOYSA-N 1 3 323.481 2.019 20 0 DEADHO COc1cccc(CN(C)CCC[N@@H+](C)CCN(C)C)c1OC ZINC000290222538 404085977 /nfs/dbraw/zinc/08/59/77/404085977.db2.gz RXEPEMNAWIRMIA-UHFFFAOYSA-N 1 3 323.481 2.019 20 0 DEADHO COc1cccc(CN(C)CCCN(C)CC[NH+](C)C)c1OC ZINC000290222538 404085987 /nfs/dbraw/zinc/08/59/87/404085987.db2.gz RXEPEMNAWIRMIA-UHFFFAOYSA-N 1 3 323.481 2.019 20 0 DEADHO CC[C@H](C(=O)OC)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354900136 404090320 /nfs/dbraw/zinc/09/03/20/404090320.db2.gz PZOAOCNVUXICLX-MRXNPFEDSA-N 1 3 305.422 2.181 20 0 DEADHO C[C@@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)N1[C@H](C)CC[C@@H]1C ZINC000412050561 404091540 /nfs/dbraw/zinc/09/15/40/404091540.db2.gz YTIRFVDWVLPOEO-VVLHAWIVSA-N 1 3 307.482 2.335 20 0 DEADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCCN(C)Cc1ccccc1 ZINC000290117740 404048367 /nfs/dbraw/zinc/04/83/67/404048367.db2.gz ZBNBSTJHPQIYER-DLBZAZTESA-N 1 3 303.450 2.013 20 0 DEADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000290168050 404065970 /nfs/dbraw/zinc/06/59/70/404065970.db2.gz MNEYJEXBZUHCJW-SQNIBIBYSA-N 1 3 315.461 2.011 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000320595504 404067116 /nfs/dbraw/zinc/06/71/16/404067116.db2.gz ZZMSQVOPYLDOCZ-OAHLLOKOSA-N 1 3 318.465 2.017 20 0 DEADHO CN1CCN(CC2(C)CC[NH+](C[C@@H]3CCSC3)CC2)CC1 ZINC000369485674 404113041 /nfs/dbraw/zinc/11/30/41/404113041.db2.gz RRIPYNKEEAVGIM-INIZCTEOSA-N 1 3 311.539 2.089 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000349188092 404131889 /nfs/dbraw/zinc/13/18/89/404131889.db2.gz KOMMOROYYIZWQC-DLBZAZTESA-N 1 3 307.482 2.338 20 0 DEADHO COCc1ccccc1/C=C(/C)C[NH2+]C[C@H](O)CN1CCCC1 ZINC000352211723 404218153 /nfs/dbraw/zinc/21/81/53/404218153.db2.gz LVEWCKOUIIKPBO-QMDZLVRISA-N 1 3 318.461 2.283 20 0 DEADHO C[C@@H]([NH2+]CCc1ccn(C)n1)c1cccc(OCCN(C)C)c1 ZINC000355035879 404170350 /nfs/dbraw/zinc/17/03/50/404170350.db2.gz ISTURYROBVCLHH-OAHLLOKOSA-N 1 3 316.449 2.254 20 0 DEADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000349642474 404171546 /nfs/dbraw/zinc/17/15/46/404171546.db2.gz BIUAXCUCWLEDTE-INIZCTEOSA-N 1 3 324.513 2.400 20 0 DEADHO C[C@@H](C(=O)N1CCCC12CCN(C)CC2)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000412230812 404199843 /nfs/dbraw/zinc/19/98/43/404199843.db2.gz SHCPUWXLDRDQJM-XHSDSOJGSA-N 1 3 307.482 2.335 20 0 DEADHO C[C@@H](C(=O)N1CCCC12CCN(C)CC2)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412230812 404199844 /nfs/dbraw/zinc/19/98/44/404199844.db2.gz SHCPUWXLDRDQJM-XHSDSOJGSA-N 1 3 307.482 2.335 20 0 DEADHO C[C@@H]([NH2+]CCc1cnccn1)c1ccc(OCCN(C)C)cc1 ZINC000341893461 404239437 /nfs/dbraw/zinc/23/94/37/404239437.db2.gz XXDDRDKKSWDBMH-OAHLLOKOSA-N 1 3 314.433 2.310 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)N1CCCCC1 ZINC000352322293 404287865 /nfs/dbraw/zinc/28/78/65/404287865.db2.gz KTCWNFSHHRVJBF-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCC[C@](CNC(=O)N2CCN(C)CC[C@@H]2C)([NH+](C)C)C1 ZINC000355518548 404345914 /nfs/dbraw/zinc/34/59/14/404345914.db2.gz VFRZZFFQLFNBMC-RYRKJORJSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)CS1 ZINC000364331802 404352649 /nfs/dbraw/zinc/35/26/49/404352649.db2.gz LVMBVYSGRDWUBI-UXLLHSPISA-N 1 3 311.539 2.275 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000352340981 404300031 /nfs/dbraw/zinc/30/00/31/404300031.db2.gz UGFHUUFAUGBIRM-IRXDYDNUSA-N 1 3 324.513 2.280 20 0 DEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000352340981 404300036 /nfs/dbraw/zinc/30/00/36/404300036.db2.gz UGFHUUFAUGBIRM-IRXDYDNUSA-N 1 3 324.513 2.280 20 0 DEADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(C(N)=O)CC1 ZINC000344773642 404360124 /nfs/dbraw/zinc/36/01/24/404360124.db2.gz PBMRHGNBRYUYGU-GOEBONIOSA-N 1 3 310.486 2.020 20 0 DEADHO C[C@H](C[NH+](C)C)NC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000355824396 404368649 /nfs/dbraw/zinc/36/86/49/404368649.db2.gz YSDKSGRJRWCQNJ-MRXNPFEDSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@H]([NH2+]CC1(N)CCC1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000342151347 404404973 /nfs/dbraw/zinc/40/49/73/404404973.db2.gz XTFAEURDCHARCH-QWHCGFSZSA-N 1 3 307.463 2.271 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2CCCCC[NH2+]2)cc1 ZINC000364468562 404409773 /nfs/dbraw/zinc/40/97/73/404409773.db2.gz RBIBWJGEYISUOO-IRXDYDNUSA-N 1 3 303.450 2.458 20 0 DEADHO Cn1nnc2cc(CN3CCC(CC[NH+](C)C)CC3)ccc21 ZINC000352653208 404517864 /nfs/dbraw/zinc/51/78/64/404517864.db2.gz UVZFGHLRSSHWOO-UHFFFAOYSA-N 1 3 301.438 2.132 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000338754931 404522806 /nfs/dbraw/zinc/52/28/06/404522806.db2.gz IAFIYBLROPIVBV-HNNXBMFYSA-N 1 3 311.857 2.401 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000356301527 404434228 /nfs/dbraw/zinc/43/42/28/404434228.db2.gz QPVHKMSIQNHRKY-LJQANCHMSA-N 1 3 315.461 2.306 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000356301527 404434233 /nfs/dbraw/zinc/43/42/33/404434233.db2.gz QPVHKMSIQNHRKY-LJQANCHMSA-N 1 3 315.461 2.306 20 0 DEADHO COC(=O)[C@H](C)Oc1ccc(CN2CCCC[C@H]2CC[NH3+])cc1 ZINC000352525406 404435456 /nfs/dbraw/zinc/43/54/56/404435456.db2.gz GIIGOTPFOVZNMM-HOCLYGCPSA-N 1 3 320.433 2.330 20 0 DEADHO CN(CCCN(C)C(=O)CC1CC[NH+](C)CC1)Cc1ccco1 ZINC000291951271 404596039 /nfs/dbraw/zinc/59/60/39/404596039.db2.gz ULPGYLTYMKKMHS-UHFFFAOYSA-N 1 3 321.465 2.292 20 0 DEADHO Cc1ccccc1CN1CCCN(C(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000373798420 404592372 /nfs/dbraw/zinc/59/23/72/404592372.db2.gz FBEAJVBWEJJCHL-HOTGVXAUSA-N 1 3 303.450 2.013 20 0 DEADHO CC(C)CC[C@@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414181032 404537606 /nfs/dbraw/zinc/53/76/06/404537606.db2.gz BQPWTRMKHCMZNG-QGZVFWFLSA-N 1 3 311.514 2.197 20 0 DEADHO CCOC(=O)c1csc(CCNC2CC[NH+](C3CC3)CC2)n1 ZINC000297301961 404543754 /nfs/dbraw/zinc/54/37/54/404543754.db2.gz ANPOGKSRJAXKJV-UHFFFAOYSA-N 1 3 323.462 2.079 20 0 DEADHO C[C@@H](CCc1ccccc1)CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352719689 404573599 /nfs/dbraw/zinc/57/35/99/404573599.db2.gz LTLYTPVNJWZAPQ-HKUYNNGSSA-N 1 3 301.478 2.235 20 0 DEADHO CC(C)[NH+](CCCNC(=O)C1CCN(C2CC2)CC1)C(C)C ZINC000338838443 404574014 /nfs/dbraw/zinc/57/40/14/404574014.db2.gz UNQXXUVLXUMWPD-UHFFFAOYSA-N 1 3 309.498 2.486 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000291907947 404575619 /nfs/dbraw/zinc/57/56/19/404575619.db2.gz QICMGMGHTYYZPK-SFHVURJKSA-N 1 3 316.449 2.308 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000291907947 404575623 /nfs/dbraw/zinc/57/56/23/404575623.db2.gz QICMGMGHTYYZPK-SFHVURJKSA-N 1 3 316.449 2.308 20 0 DEADHO C[C@H]1CCC[C@H](C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000414488948 404652969 /nfs/dbraw/zinc/65/29/69/404652969.db2.gz VCKVICWUWLBNMT-ROUUACIJSA-N 1 3 323.525 2.199 20 0 DEADHO Cc1c(F)cccc1NC(=O)CCN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351482121 404596657 /nfs/dbraw/zinc/59/66/57/404596657.db2.gz YXWDGDUTCWRKRX-GZBFAFLISA-N 1 3 305.397 2.132 20 0 DEADHO CC[N@@H+](Cc1ccc(Cl)cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414672908 404704676 /nfs/dbraw/zinc/70/46/76/404704676.db2.gz IFIWDZOJCKCOEN-OAHLLOKOSA-N 1 3 323.868 2.359 20 0 DEADHO CC[N@H+](Cc1ccc(Cl)cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414672908 404704678 /nfs/dbraw/zinc/70/46/78/404704678.db2.gz IFIWDZOJCKCOEN-OAHLLOKOSA-N 1 3 323.868 2.359 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)N1CCCCC1 ZINC000374438552 404706564 /nfs/dbraw/zinc/70/65/64/404706564.db2.gz SFTQWQRBVUPMOW-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO COc1cc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)ccc1C ZINC000414772783 404730676 /nfs/dbraw/zinc/73/06/76/404730676.db2.gz CKIODYDTNNIYJA-INIZCTEOSA-N 1 3 304.434 2.191 20 0 DEADHO COC(=O)c1cc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)oc1C ZINC000414774088 404730933 /nfs/dbraw/zinc/73/09/33/404730933.db2.gz FGCUAXFJSBTUBG-UONOGXRCSA-N 1 3 306.406 2.196 20 0 DEADHO Cc1ccc(CCC[N@@H+]2C[C@H](CN)C3(C2)CCOCC3)cn1 ZINC000414779541 404732603 /nfs/dbraw/zinc/73/26/03/404732603.db2.gz KJGPCVJWVFPPLJ-KRWDZBQOSA-N 1 3 303.450 2.010 20 0 DEADHO Cc1ccc(CCC[N@H+]2C[C@H](CN)C3(C2)CCOCC3)cn1 ZINC000414779541 404732607 /nfs/dbraw/zinc/73/26/07/404732607.db2.gz KJGPCVJWVFPPLJ-KRWDZBQOSA-N 1 3 303.450 2.010 20 0 DEADHO CCc1cc(OC)ccc1CN1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414788753 404736269 /nfs/dbraw/zinc/73/62/69/404736269.db2.gz XGLDDRWMNLJSBA-QGZVFWFLSA-N 1 3 318.461 2.445 20 0 DEADHO CCOC(=O)COc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000414795709 404737911 /nfs/dbraw/zinc/73/79/11/404737911.db2.gz GZFDPOXQEUDJQQ-DOTOQJQBSA-N 1 3 320.433 2.236 20 0 DEADHO C[C@H](CC(=O)NCCc1ccccc1)[NH2+][C@H]1CCCC[C@H]1CN ZINC000414813886 404741461 /nfs/dbraw/zinc/74/14/61/404741461.db2.gz YUNQVBRXXZRXJW-NJAFHUGGSA-N 1 3 317.477 2.231 20 0 DEADHO C[C@H](CC(=O)NCCc1ccccc1)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000414813886 404741465 /nfs/dbraw/zinc/74/14/65/404741465.db2.gz YUNQVBRXXZRXJW-NJAFHUGGSA-N 1 3 317.477 2.231 20 0 DEADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCC[C@H](C)[NH3+] ZINC000414825924 404743111 /nfs/dbraw/zinc/74/31/11/404743111.db2.gz UQOGDLCNNCDACA-QWHCGFSZSA-N 1 3 311.857 2.404 20 0 DEADHO COc1ccc(NC(=O)C[C@@H](C)N[C@H](C[NH3+])CC(C)C)cc1 ZINC000414856691 404749456 /nfs/dbraw/zinc/74/94/56/404749456.db2.gz ZIZHGYCLOOMVHF-HIFRSBDPSA-N 1 3 307.438 2.375 20 0 DEADHO CN(C)CCOc1cccc(NC(=O)NC2(C[NH3+])CCCC2)c1 ZINC000414881561 404757598 /nfs/dbraw/zinc/75/75/98/404757598.db2.gz LAHSQHJICCJVJT-UHFFFAOYSA-N 1 3 320.437 2.020 20 0 DEADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC[C@H]2CCSC2)cc1 ZINC000414892662 404760536 /nfs/dbraw/zinc/76/05/36/404760536.db2.gz XHIFKDLXBOHHEU-COXVUDFISA-N 1 3 306.475 2.483 20 0 DEADHO C[C@H](CCCC[NH3+])NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000414893705 404761055 /nfs/dbraw/zinc/76/10/55/404761055.db2.gz YRDIROJYDRFJJG-CQSZACIVSA-N 1 3 322.453 2.266 20 0 DEADHO COc1ccc(C[NH2+][C@H](C)CN)cc1OCc1cccnc1 ZINC000414922072 404767326 /nfs/dbraw/zinc/76/73/26/404767326.db2.gz BTLPZICVCPAQRE-CYBMUJFWSA-N 1 3 301.390 2.106 20 0 DEADHO C[C@@H]1C[C@@H](CN2CCN(c3cccc(F)c3F)CC2)CC[NH2+]1 ZINC000414689158 404709132 /nfs/dbraw/zinc/70/91/32/404709132.db2.gz FIDQXMVRCSOPHM-KGLIPLIRSA-N 1 3 309.404 2.475 20 0 DEADHO C[C@H]1C[C@H](CN2CCCN(C(=O)c3ccsc3)CC2)CC[NH2+]1 ZINC000414699514 404710865 /nfs/dbraw/zinc/71/08/65/404710865.db2.gz IMACPGRMYLRPGY-LSDHHAIUSA-N 1 3 321.490 2.284 20 0 DEADHO C[C@@H]1C[C@H](CN2CCCN(C(=O)c3ccsc3)CC2)CC[NH2+]1 ZINC000414699513 404711425 /nfs/dbraw/zinc/71/14/25/404711425.db2.gz IMACPGRMYLRPGY-HUUCEWRRSA-N 1 3 321.490 2.284 20 0 DEADHO CCc1ccc(C(C)(C)[NH2+]C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414702181 404712103 /nfs/dbraw/zinc/71/21/03/404712103.db2.gz HSDHVTACWBMXQK-MRXNPFEDSA-N 1 3 317.477 2.271 20 0 DEADHO C[C@@H]1C[C@H](CN2CCN(CC(F)(F)F)CC2(C)C)CC[NH2+]1 ZINC000414707386 404713144 /nfs/dbraw/zinc/71/31/44/404713144.db2.gz HUTCEURFHCQICX-CHWSQXEVSA-N 1 3 307.404 2.333 20 0 DEADHO COc1ccc2c(c1OC)CCN(C[C@H]1CC[NH2+][C@H](C)C1)C2 ZINC000414751305 404724189 /nfs/dbraw/zinc/72/41/89/404724189.db2.gz AEODGCDQHVCGJD-KGLIPLIRSA-N 1 3 304.434 2.450 20 0 DEADHO Cc1ccc(NC(=O)NC[C@@H]2CCCN(CCC[NH3+])C2)cc1 ZINC000414755115 404725190 /nfs/dbraw/zinc/72/51/90/404725190.db2.gz YUBZGXGSRNSOCD-HNNXBMFYSA-N 1 3 304.438 2.177 20 0 DEADHO C[C@@H](C(=O)N1CCCCCC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357072683 404727044 /nfs/dbraw/zinc/72/70/44/404727044.db2.gz HNVSOUXOJZFWSU-RDJZCZTQSA-N 1 3 307.482 2.099 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000353457856 404836041 /nfs/dbraw/zinc/83/60/41/404836041.db2.gz IFNJOPFRBABJPO-BACDZXNISA-N 1 3 307.482 2.097 20 0 DEADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000366425786 404789983 /nfs/dbraw/zinc/78/99/83/404789983.db2.gz XMWSFRKCPQKCMK-HRCADAONSA-N 1 3 323.481 2.412 20 0 DEADHO CN1CCC[C@H]1CC[N@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000366425786 404789986 /nfs/dbraw/zinc/78/99/86/404789986.db2.gz XMWSFRKCPQKCMK-HRCADAONSA-N 1 3 323.481 2.412 20 0 DEADHO FC(F)(F)COc1ncccc1CNCC1CC[NH2+]CC1 ZINC000415091357 404804833 /nfs/dbraw/zinc/80/48/33/404804833.db2.gz YZFDDSWFBUNLMS-UHFFFAOYSA-N 1 3 303.328 2.112 20 0 DEADHO CN(C)c1ccccc1CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415102254 404808105 /nfs/dbraw/zinc/80/81/05/404808105.db2.gz DGWPZYICDUTIRS-MJGOQNOKSA-N 1 3 317.477 2.471 20 0 DEADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000415120493 404812017 /nfs/dbraw/zinc/81/20/17/404812017.db2.gz GDSVIZCIZQRHAV-HKUYNNGSSA-N 1 3 316.445 2.340 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000353468536 404838637 /nfs/dbraw/zinc/83/86/37/404838637.db2.gz OPRVSXHCQGWSTH-BGTYHANMSA-N 1 3 315.461 2.326 20 0 DEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)CCN1CCCC1 ZINC000353427346 404828297 /nfs/dbraw/zinc/82/82/97/404828297.db2.gz VPCAFPXRDOVQBI-BBWFWOEESA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)CCN1CCCC1 ZINC000353427346 404828300 /nfs/dbraw/zinc/82/83/00/404828300.db2.gz VPCAFPXRDOVQBI-BBWFWOEESA-N 1 3 324.513 2.090 20 0 DEADHO CC[NH2+][C@H](C)CNCc1ccccc1N(C)C1CCN(C)CC1 ZINC000414949660 404773682 /nfs/dbraw/zinc/77/36/82/404773682.db2.gz FIGPCTSRXQNQKS-MRXNPFEDSA-N 1 3 318.509 2.305 20 0 DEADHO CC(C)[N@@H+]1CCCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000434352302 404885237 /nfs/dbraw/zinc/88/52/37/404885237.db2.gz GGQGGBSQLQCMHH-QGZVFWFLSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)[N@H+]1CCCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000434352302 404885239 /nfs/dbraw/zinc/88/52/39/404885239.db2.gz GGQGGBSQLQCMHH-QGZVFWFLSA-N 1 3 322.497 2.129 20 0 DEADHO O=C(NCCC[NH+]1CCCCC1)NC[C@H]1CCCCN1C1CC1 ZINC000434356252 404887367 /nfs/dbraw/zinc/88/73/67/404887367.db2.gz VDLCQUONENNXSL-QGZVFWFLSA-N 1 3 322.497 2.179 20 0 DEADHO CCc1nn(C)c(CC)c1CN1CCC(OCC[NH+](C)C)CC1 ZINC000353527294 404857671 /nfs/dbraw/zinc/85/76/71/404857671.db2.gz CGSBWZKDOBHNJI-UHFFFAOYSA-N 1 3 322.497 2.088 20 0 DEADHO C[C@@H](NC(=O)NCc1ccccc1CN1CCCCC1)[C@H](C)[NH3+] ZINC000416899003 404956061 /nfs/dbraw/zinc/95/60/61/404956061.db2.gz DISWCQRALNEFKE-LSDHHAIUSA-N 1 3 318.465 2.207 20 0 DEADHO C[NH2+]Cc1ccccc1NC(=O)N(CCN(C)C)CC(C)C ZINC000415909852 404968082 /nfs/dbraw/zinc/96/80/82/404968082.db2.gz GUHAHQOJWZANHU-UHFFFAOYSA-N 1 3 306.454 2.458 20 0 DEADHO CC[NH2+]Cc1cccc(NC(=O)NCC2=CCN(C)CC2)c1 ZINC000415922336 404972622 /nfs/dbraw/zinc/97/26/22/404972622.db2.gz SHNOAMGXMXTUQX-UHFFFAOYSA-N 1 3 302.422 2.180 20 0 DEADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]([NH3+])C(C)C)c1ccccc1 ZINC000416839460 404930575 /nfs/dbraw/zinc/93/05/75/404930575.db2.gz KAXGQGDMIZRDGK-IAGOWNOFSA-N 1 3 320.481 2.352 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)NC(C)(C)CCC[NH3+])cc1 ZINC000416887826 404951388 /nfs/dbraw/zinc/95/13/88/404951388.db2.gz OBSWTUAUXYNVGB-UHFFFAOYSA-N 1 3 306.454 2.065 20 0 DEADHO [NH3+][C@@H](CCC(=O)N[C@H]1CCN(C2CC2)C1)CC1CCCCC1 ZINC000424157133 405025519 /nfs/dbraw/zinc/02/55/19/405025519.db2.gz PHXHKBQKACUKHB-HOTGVXAUSA-N 1 3 307.482 2.417 20 0 DEADHO CN(C)[C@@H](CC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000416126524 405029146 /nfs/dbraw/zinc/02/91/46/405029146.db2.gz BSNYOCDXXWZWAD-YJBOKZPZSA-N 1 3 315.461 2.280 20 0 DEADHO CN(C)[C@@H](CC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000416126524 405029152 /nfs/dbraw/zinc/02/91/52/405029152.db2.gz BSNYOCDXXWZWAD-YJBOKZPZSA-N 1 3 315.461 2.280 20 0 DEADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000379677490 405029403 /nfs/dbraw/zinc/02/94/03/405029403.db2.gz CQFNRFOPGPVVRZ-ONIAQPFYSA-N 1 3 315.461 2.154 20 0 DEADHO N[C@@H]1Cc2ccccc2N(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000424072262 404995698 /nfs/dbraw/zinc/99/56/98/404995698.db2.gz FUCSYAZGYJYVBC-MYCCOQIQSA-N 1 3 313.445 2.057 20 0 DEADHO C[C@H]([NH3+])CCNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000417731789 405095255 /nfs/dbraw/zinc/09/52/55/405095255.db2.gz GIIDYNGJWWYCME-YDHLFZDLSA-N 1 3 324.494 2.168 20 0 DEADHO CC[C@]1(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)CCC[NH2+]1 ZINC000389856457 405041767 /nfs/dbraw/zinc/04/17/67/405041767.db2.gz AEBBJWNVOBPYPI-HHXXYDBFSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000389978542 405042564 /nfs/dbraw/zinc/04/25/64/405042564.db2.gz HCSBEGIGOCQTNU-CRAIPNDOSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@@H]1CC2(CN1C(=O)C[C@H](N)c1ccccc1)CC[NH2+]CC2 ZINC000424236083 405046101 /nfs/dbraw/zinc/04/61/01/405046101.db2.gz LCTJLNPUGWWVKE-ZBFHGGJFSA-N 1 3 301.434 2.067 20 0 DEADHO Cc1ccc(CNC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424285102 405058086 /nfs/dbraw/zinc/05/80/86/405058086.db2.gz FCJNSIDVDJMMCL-MRXNPFEDSA-N 1 3 315.461 2.075 20 0 DEADHO C[C@H](NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424285557 405058269 /nfs/dbraw/zinc/05/82/69/405058269.db2.gz FUGITNUGFPYQMT-CVEARBPZSA-N 1 3 315.461 2.328 20 0 DEADHO Cc1ccc(NC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424298263 405062565 /nfs/dbraw/zinc/06/25/65/405062565.db2.gz UGGMTVRFXZGBGM-HNNXBMFYSA-N 1 3 301.434 2.398 20 0 DEADHO Cn1cc([C@@H]2CC[N@H+](C[C@@H](CN)c3ccc(F)cc3)C2)cn1 ZINC000424305690 405064921 /nfs/dbraw/zinc/06/49/21/405064921.db2.gz SWPIFPSUCAGHCJ-HUUCEWRRSA-N 1 3 302.397 2.091 20 0 DEADHO Cn1cc([C@@H]2CC[N@@H+](C[C@@H](CN)c3ccc(F)cc3)C2)cn1 ZINC000424305690 405064926 /nfs/dbraw/zinc/06/49/26/405064926.db2.gz SWPIFPSUCAGHCJ-HUUCEWRRSA-N 1 3 302.397 2.091 20 0 DEADHO Cn1cc([C@@H]2CCN(C[C@@H](C[NH3+])c3ccc(F)cc3)C2)cn1 ZINC000424305690 405064933 /nfs/dbraw/zinc/06/49/33/405064933.db2.gz SWPIFPSUCAGHCJ-HUUCEWRRSA-N 1 3 302.397 2.091 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCN[C@@H](C)[C@@H]2C)C1 ZINC000417225405 405068795 /nfs/dbraw/zinc/06/87/95/405068795.db2.gz XMMWFLFTIXHAOF-FZKCQIBNSA-N 1 3 324.513 2.135 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCN[C@@H](C)[C@@H]2C)C1 ZINC000417225405 405068799 /nfs/dbraw/zinc/06/87/99/405068799.db2.gz XMMWFLFTIXHAOF-FZKCQIBNSA-N 1 3 324.513 2.135 20 0 DEADHO CN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1N)[C@H]1CCCc2ccccc21 ZINC000424331800 405070236 /nfs/dbraw/zinc/07/02/36/405070236.db2.gz JYCAYISFRJGWNW-KURKYZTESA-N 1 3 315.461 2.382 20 0 DEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000361456286 405081862 /nfs/dbraw/zinc/08/18/62/405081862.db2.gz GSSSQRVKSABQEO-BZUAXINKSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000361456289 405082576 /nfs/dbraw/zinc/08/25/76/405082576.db2.gz GSSSQRVKSABQEO-PMPSAXMXSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H](CNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)N(C)C1CC1 ZINC000417549184 405091469 /nfs/dbraw/zinc/09/14/69/405091469.db2.gz JGUTZSYOFMCBFP-BFYDXBDKSA-N 1 3 322.497 2.033 20 0 DEADHO CC(C)C1CCC(N2CCN(C(=O)NC[C@H](C)C[NH3+])CC2)CC1 ZINC000418471071 405129032 /nfs/dbraw/zinc/12/90/32/405129032.db2.gz LVOOIWGYBLVISV-KLAILNCOSA-N 1 3 324.513 2.123 20 0 DEADHO C[C@@H](CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+])N(C)Cc1ccccc1 ZINC000424464700 405103205 /nfs/dbraw/zinc/10/32/05/405103205.db2.gz QKMHQUHNCJPELH-USXIJHARSA-N 1 3 318.465 2.076 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N(C)CC(C)(C)C[NH3+])c1ccco1 ZINC000418169896 405114812 /nfs/dbraw/zinc/11/48/12/405114812.db2.gz QUOVOLOWLVDFMZ-UONOGXRCSA-N 1 3 324.469 2.335 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000418606565 405137433 /nfs/dbraw/zinc/13/74/33/405137433.db2.gz QHQMSPSTOICCAQ-DLBZAZTESA-N 1 3 324.513 2.425 20 0 DEADHO CN(C)[C@@H]1CCCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000418669601 405160200 /nfs/dbraw/zinc/16/02/00/405160200.db2.gz JLQUWXVCEFLOAL-IAGOWNOFSA-N 1 3 318.465 2.202 20 0 DEADHO CC[C@@H]([NH3+])CNC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418718631 405178592 /nfs/dbraw/zinc/17/85/92/405178592.db2.gz HVPZYAFRNQUXKE-IAGOWNOFSA-N 1 3 318.465 2.030 20 0 DEADHO CCCN(C)CC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000437056732 405181766 /nfs/dbraw/zinc/18/17/66/405181766.db2.gz RRSRGDLIECFOHF-SFHVURJKSA-N 1 3 317.477 2.309 20 0 DEADHO CCCN(C)CC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000437056732 405181772 /nfs/dbraw/zinc/18/17/72/405181772.db2.gz RRSRGDLIECFOHF-SFHVURJKSA-N 1 3 317.477 2.309 20 0 DEADHO OCCOCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453068480 405280744 /nfs/dbraw/zinc/28/07/44/405280744.db2.gz AHTVHUXZYCDNAN-IPMKNSEASA-N 1 3 318.461 2.028 20 0 DEADHO OCCOCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453068480 405280747 /nfs/dbraw/zinc/28/07/47/405280747.db2.gz AHTVHUXZYCDNAN-IPMKNSEASA-N 1 3 318.461 2.028 20 0 DEADHO C[C@H](NCCc1ccc(OCC[NH+](C)C)cc1)c1ccncn1 ZINC000453099409 405284272 /nfs/dbraw/zinc/28/42/72/405284272.db2.gz KZEBQQBGRVBLDS-HNNXBMFYSA-N 1 3 314.433 2.310 20 0 DEADHO COC(=O)[C@H](CC[N@@H+]1CC[C@H](CN(C)C)C1)c1ccccc1 ZINC000425403866 405285830 /nfs/dbraw/zinc/28/58/30/405285830.db2.gz KIYNQPSCDKHQHP-NVXWUHKLSA-N 1 3 304.434 2.217 20 0 DEADHO COC(=O)[C@H](CC[N@H+]1CC[C@H](CN(C)C)C1)c1ccccc1 ZINC000425403866 405285832 /nfs/dbraw/zinc/28/58/32/405285832.db2.gz KIYNQPSCDKHQHP-NVXWUHKLSA-N 1 3 304.434 2.217 20 0 DEADHO CC[C@@H](C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1)N(C)C ZINC000452734087 405235185 /nfs/dbraw/zinc/23/51/85/405235185.db2.gz UKUFGLQGECFZQA-KRWDZBQOSA-N 1 3 317.477 2.498 20 0 DEADHO CC[C@@H](C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1)N(C)C ZINC000452734087 405235189 /nfs/dbraw/zinc/23/51/89/405235189.db2.gz UKUFGLQGECFZQA-KRWDZBQOSA-N 1 3 317.477 2.498 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000439694028 405288573 /nfs/dbraw/zinc/28/85/73/405288573.db2.gz VFFKKUZCNDXGLC-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000439694028 405288576 /nfs/dbraw/zinc/28/85/76/405288576.db2.gz VFFKKUZCNDXGLC-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000438576506 405251701 /nfs/dbraw/zinc/25/17/01/405251701.db2.gz IXVFRPUCQULFMB-RDJZCZTQSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000438576506 405251705 /nfs/dbraw/zinc/25/17/05/405251705.db2.gz IXVFRPUCQULFMB-RDJZCZTQSA-N 1 3 307.482 2.384 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000438859520 405256646 /nfs/dbraw/zinc/25/66/46/405256646.db2.gz PNSOQOPHEKHWBZ-IXDOHACOSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000438859520 405256647 /nfs/dbraw/zinc/25/66/47/405256647.db2.gz PNSOQOPHEKHWBZ-IXDOHACOSA-N 1 3 324.513 2.279 20 0 DEADHO CCOc1ccccc1NC(=O)CCN[C@@](C)(C[NH3+])C1CC1 ZINC000420296611 405309966 /nfs/dbraw/zinc/30/99/66/405309966.db2.gz XGFDMGBUQFIQAZ-KRWDZBQOSA-N 1 3 305.422 2.131 20 0 DEADHO Cc1ccc(S(=O)(=O)CCCN[C@@](C)(C[NH3+])C(C)C)cc1 ZINC000420295499 405310285 /nfs/dbraw/zinc/31/02/85/405310285.db2.gz ASAVLCLGEAEPTM-INIZCTEOSA-N 1 3 312.479 2.122 20 0 DEADHO [NH3+]C[C@@H]1CN(CCOC2CCCCCC2)CC12CCOCC2 ZINC000420325520 405320340 /nfs/dbraw/zinc/32/03/40/405320340.db2.gz IPMZVCGKNJHBEJ-MRXNPFEDSA-N 1 3 310.482 2.413 20 0 DEADHO CCc1ccc(CC[N@@H+]2C[C@@H](CN)C3(C2)CCOCC3)cc1 ZINC000420329239 405321531 /nfs/dbraw/zinc/32/15/31/405321531.db2.gz ODHIISDUXNWMRO-GOSISDBHSA-N 1 3 302.462 2.479 20 0 DEADHO CCc1ccc(CC[N@H+]2C[C@@H](CN)C3(C2)CCOCC3)cc1 ZINC000420329239 405321533 /nfs/dbraw/zinc/32/15/33/405321533.db2.gz ODHIISDUXNWMRO-GOSISDBHSA-N 1 3 302.462 2.479 20 0 DEADHO O=C1[C@H](N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CCN1c1ccccc1 ZINC000420330550 405322094 /nfs/dbraw/zinc/32/20/94/405322094.db2.gz QCDFZEROVMOZCW-LZLYRXPVSA-N 1 3 313.445 2.113 20 0 DEADHO COC(=O)c1ccc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000420332647 405322603 /nfs/dbraw/zinc/32/26/03/405322603.db2.gz SBXFKQAPQXOGOE-STQMWFEESA-N 1 3 308.447 2.356 20 0 DEADHO Cc1cccc(C)c1OCCN1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420339862 405324792 /nfs/dbraw/zinc/32/47/92/405324792.db2.gz ZBGYUWSXBBTNOV-QGZVFWFLSA-N 1 3 318.461 2.370 20 0 DEADHO Clc1cccc2c1CC[C@H]2N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420348920 405328426 /nfs/dbraw/zinc/32/84/26/405328426.db2.gz NKVGKDQQZOMXCZ-CXAGYDPISA-N 1 3 305.853 2.307 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC000454330113 405330225 /nfs/dbraw/zinc/33/02/25/405330225.db2.gz WQVBDURCQVUFNK-OAHLLOKOSA-N 1 3 322.497 2.034 20 0 DEADHO CCOc1ccccc1NC(=O)CCN[C@@H]1CC[NH2+]CC1(C)C ZINC000420360921 405331764 /nfs/dbraw/zinc/33/17/64/405331764.db2.gz LQWLWVDAGPAKAW-MRXNPFEDSA-N 1 3 319.449 2.392 20 0 DEADHO CCOc1ccccc1NC(=O)CC[NH2+][C@@H]1CCNCC1(C)C ZINC000420360921 405331766 /nfs/dbraw/zinc/33/17/66/405331766.db2.gz LQWLWVDAGPAKAW-MRXNPFEDSA-N 1 3 319.449 2.392 20 0 DEADHO CN1CCN(CC[NH2+]C2CCC3(CCOCC3)CC2)CC1(C)C ZINC000442891826 405337005 /nfs/dbraw/zinc/33/70/05/405337005.db2.gz SXDPCLDVNBFOKR-UHFFFAOYSA-N 1 3 323.525 2.341 20 0 DEADHO CN1CCN(CC[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC1(C)C ZINC000442869522 405337341 /nfs/dbraw/zinc/33/73/41/405337341.db2.gz DNUMJWHPSDYJOF-QGZVFWFLSA-N 1 3 321.896 2.423 20 0 DEADHO O=C(CCN1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccccc1 ZINC000420385766 405340416 /nfs/dbraw/zinc/34/04/16/405340416.db2.gz FHQORBSEFZZMRZ-RDJZCZTQSA-N 1 3 301.434 2.479 20 0 DEADHO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420399797 405343985 /nfs/dbraw/zinc/34/39/85/405343985.db2.gz IDTMSINLIANLHV-RDGPPVDQSA-N 1 3 320.477 2.101 20 0 DEADHO CC(C)C[C@@H]1OCCC[C@H]1NC[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420399797 405343986 /nfs/dbraw/zinc/34/39/86/405343986.db2.gz IDTMSINLIANLHV-RDGPPVDQSA-N 1 3 320.477 2.101 20 0 DEADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000426320853 405351211 /nfs/dbraw/zinc/35/12/11/405351211.db2.gz AEEGNVLREQIYEU-CPUCHLNUSA-N 1 3 313.445 2.357 20 0 DEADHO CN(C[C@@H]1CCCN1C)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000420766177 405380717 /nfs/dbraw/zinc/38/07/17/405380717.db2.gz RMYYBWVGMAFWNF-KRWDZBQOSA-N 1 3 324.513 2.377 20 0 DEADHO CN(C[C@@H]1CCCN1C)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000420766177 405380720 /nfs/dbraw/zinc/38/07/20/405380720.db2.gz RMYYBWVGMAFWNF-KRWDZBQOSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H](CNC(=O)NC1CCC([NH+](C)C)CC1)N1CCCC[C@@H]1C ZINC000420802452 405387263 /nfs/dbraw/zinc/38/72/63/405387263.db2.gz PPOIWKBVPOTSPG-JUVOFCAFSA-N 1 3 324.513 2.421 20 0 DEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420838734 405393747 /nfs/dbraw/zinc/39/37/47/405393747.db2.gz LWIHOIMGSCQRFZ-UYSNPLJNSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N(C)C[C@@H]1CCCN1C ZINC000420845327 405394548 /nfs/dbraw/zinc/39/45/48/405394548.db2.gz OLMNKPCPDSZPNM-IRXDYDNUSA-N 1 3 324.513 2.233 20 0 DEADHO O=C(C[C@@H]1CCC[NH2+]CC1)N1CCN(CC2CCCCC2)CC1 ZINC000427319189 405399551 /nfs/dbraw/zinc/39/95/51/405399551.db2.gz GTJMREFSMZKBQV-QGZVFWFLSA-N 1 3 321.509 2.491 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000345034447 300064012 /nfs/dbraw/zinc/06/40/12/300064012.db2.gz JGMIVGOBOROMOD-HOTGVXAUSA-N 1 3 303.450 2.454 20 0 DEADHO C[C@@H]1C[C@H](NC[C@]2(CO)C[C@H]2c2ccc(F)cc2)CC[N@@H+]1C ZINC000429436823 405430426 /nfs/dbraw/zinc/43/04/26/405430426.db2.gz YDWYLWFIXKXUIX-ZSGPHXLJSA-N 1 3 306.425 2.364 20 0 DEADHO C[C@@H]1C[C@H](NC[C@]2(CO)C[C@H]2c2ccc(F)cc2)CC[N@H+]1C ZINC000429436823 405430427 /nfs/dbraw/zinc/43/04/27/405430427.db2.gz YDWYLWFIXKXUIX-ZSGPHXLJSA-N 1 3 306.425 2.364 20 0 DEADHO CC[NH2+]CC1CCN(CCOCCOc2ccccc2)CC1 ZINC000430556088 405456818 /nfs/dbraw/zinc/45/68/18/405456818.db2.gz TXWBRBYAFJAVRJ-UHFFFAOYSA-N 1 3 306.450 2.404 20 0 DEADHO C[C@H]1CCC[C@H](N2CCC([NH2+]CC3(CC(N)=O)CC3)CC2)C1 ZINC000421349317 405466752 /nfs/dbraw/zinc/46/67/52/405466752.db2.gz IHNHZVLUJLKNOM-HOCLYGCPSA-N 1 3 307.482 2.275 20 0 DEADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCC3(CC(N)=O)CC3)CC2)C1 ZINC000421349317 405466755 /nfs/dbraw/zinc/46/67/55/405466755.db2.gz IHNHZVLUJLKNOM-HOCLYGCPSA-N 1 3 307.482 2.275 20 0 DEADHO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)N1CCC(C[NH3+])CC1 ZINC000430619607 405467169 /nfs/dbraw/zinc/46/71/69/405467169.db2.gz ABTACDNSIPPFGY-CABCVRRESA-N 1 3 303.450 2.231 20 0 DEADHO C[C@@H](N)[C@H]1CCCC[N@@H+]1CCCOc1ccc2c(c1)OCO2 ZINC000430635381 405473388 /nfs/dbraw/zinc/47/33/88/405473388.db2.gz GTZQQNOLHAZZTF-UKRRQHHQSA-N 1 3 306.406 2.386 20 0 DEADHO C[C@@H](N)[C@H]1CCCC[N@H+]1CCCOc1ccc2c(c1)OCO2 ZINC000430635381 405473391 /nfs/dbraw/zinc/47/33/91/405473391.db2.gz GTZQQNOLHAZZTF-UKRRQHHQSA-N 1 3 306.406 2.386 20 0 DEADHO OC1CC(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000528019931 405479893 /nfs/dbraw/zinc/47/98/93/405479893.db2.gz VQCMUCVARJVDNM-MQDHCWGVSA-N 1 3 300.446 2.258 20 0 DEADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC2(CC[NH2+]C2)CC1 ZINC000431014411 405561530 /nfs/dbraw/zinc/56/15/30/405561530.db2.gz NJDPAKMPFWKQEX-JKSUJKDBSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)CCC[C@H](C)NC(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000431022063 405561578 /nfs/dbraw/zinc/56/15/78/405561578.db2.gz LZIUBWHDAILODL-INIZCTEOSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@H](CC(=O)NCCN1[C@H](C)CCC[C@@H]1C)C1CC[NH2+]CC1 ZINC000430886870 405520807 /nfs/dbraw/zinc/52/08/07/405520807.db2.gz CLMVCRMALAUMIN-OAGGEKHMSA-N 1 3 309.498 2.391 20 0 DEADHO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000430893567 405523416 /nfs/dbraw/zinc/52/34/16/405523416.db2.gz GIESVGMTQCOSLX-BRWVUGGUSA-N 1 3 307.482 2.371 20 0 DEADHO C[NH2+]CC1CCN([C@H](C)C(=O)N[C@H](C)c2ccccc2C)CC1 ZINC000430953393 405543654 /nfs/dbraw/zinc/54/36/54/405543654.db2.gz BSVDPDYCJFRVSG-HZPDHXFCSA-N 1 3 317.477 2.492 20 0 DEADHO C[C@@H]([NH3+])C1CCN([C@H](C)C(=O)N(C)Cc2cccc(F)c2)CC1 ZINC000430959002 405547444 /nfs/dbraw/zinc/54/74/44/405547444.db2.gz VIDRFHZWRARNMZ-ZIAGYGMSSA-N 1 3 321.440 2.232 20 0 DEADHO CC(C)(C[NH+]1CCCC1)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000458700874 405550058 /nfs/dbraw/zinc/55/00/58/405550058.db2.gz FPDWDDPMWUFKMV-INIZCTEOSA-N 1 3 322.497 2.177 20 0 DEADHO C[N@H+](CCNC(=O)Nc1ccc2c(c1)CNCC2)C1CCCC1 ZINC000557033883 405571247 /nfs/dbraw/zinc/57/12/47/405571247.db2.gz XIIRUUWTVAYMJJ-UHFFFAOYSA-N 1 3 316.449 2.328 20 0 DEADHO C[N@@H+](CCNC(=O)Nc1ccc2c(c1)CNCC2)C1CCCC1 ZINC000557033883 405571250 /nfs/dbraw/zinc/57/12/50/405571250.db2.gz XIIRUUWTVAYMJJ-UHFFFAOYSA-N 1 3 316.449 2.328 20 0 DEADHO C[C@H](NC(=O)NC(C)(C)C[NH+](C)C)[C@H](c1ccccc1)N(C)C ZINC000458773730 405583001 /nfs/dbraw/zinc/58/30/01/405583001.db2.gz OBWLDOFXRCFHQX-GOEBONIOSA-N 1 3 320.481 2.317 20 0 DEADHO CC(C)CC[C@@H](N)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638800962 405675349 /nfs/dbraw/zinc/67/53/49/405675349.db2.gz RGANSIQJEAWGGG-QZTJIDSGSA-N 1 3 317.477 2.388 20 0 DEADHO CC(C)CC[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638800962 405675355 /nfs/dbraw/zinc/67/53/55/405675355.db2.gz RGANSIQJEAWGGG-QZTJIDSGSA-N 1 3 317.477 2.388 20 0 DEADHO Cc1cc(N2CCC([NH2+][C@H]3CCCC[C@H]3CN)CC2)nc(C)n1 ZINC000422840230 405686933 /nfs/dbraw/zinc/68/69/33/405686933.db2.gz SJDCQTMQMMCHBG-RDJZCZTQSA-N 1 3 317.481 2.169 20 0 DEADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCCOCC1CC1 ZINC000422884746 405688659 /nfs/dbraw/zinc/68/86/59/405688659.db2.gz FPPMMZOKTGJKFH-AEFFLSMTSA-N 1 3 302.418 2.259 20 0 DEADHO c1ccc(C[C@@H]2C[C@@H]2N[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422927089 405690573 /nfs/dbraw/zinc/69/05/73/405690573.db2.gz YFVHKCPUDOPHHD-NNIGNNQHSA-N 1 3 300.446 2.364 20 0 DEADHO C[C@@H](C[NH3+])C(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000638831355 405700339 /nfs/dbraw/zinc/70/03/39/405700339.db2.gz ZZZAVYXHXBUZED-GXFFZTMASA-N 1 3 317.355 2.019 20 0 DEADHO [NH3+]C[C@H]1CC[C@H](NC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000449724285 405711698 /nfs/dbraw/zinc/71/16/98/405711698.db2.gz MVZPVAAHEGNMKZ-WMZOPIPTSA-N 1 3 315.461 2.142 20 0 DEADHO C[C@H](CCCC[NH3+])N[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000423161118 405708646 /nfs/dbraw/zinc/70/86/46/405708646.db2.gz NITOUEFAOGUWNP-QLFBSQMISA-N 1 3 303.450 2.460 20 0 DEADHO CC(C)[C@@H](CNC(=O)[C@@H]1C[C@@H](C)CCN1)[NH+]1CCC(C)CC1 ZINC000423322818 405760556 /nfs/dbraw/zinc/76/05/56/405760556.db2.gz IRZHVGVINKPJST-YESZJQIVSA-N 1 3 309.498 2.247 20 0 DEADHO CC(=O)NCCc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000423209352 405724716 /nfs/dbraw/zinc/72/47/16/405724716.db2.gz DZXMQJIURQOGIG-YZVOILCLSA-N 1 3 317.477 2.404 20 0 DEADHO CC1(N2CCOCC2)CCN(CCC[NH+]2CCCCC2)CC1 ZINC000528727536 405726376 /nfs/dbraw/zinc/72/63/76/405726376.db2.gz UQVOWSYVYIMULY-UHFFFAOYSA-N 1 3 309.498 2.049 20 0 DEADHO CC1(N2CCOCC2)CC[NH+](CCCN2CCCCC2)CC1 ZINC000528727536 405726377 /nfs/dbraw/zinc/72/63/77/405726377.db2.gz UQVOWSYVYIMULY-UHFFFAOYSA-N 1 3 309.498 2.049 20 0 DEADHO C[NH2+]C[C@H](C)CN[C@H](CCn1cncn1)c1ccc(C)cc1 ZINC000423281097 405747410 /nfs/dbraw/zinc/74/74/10/405747410.db2.gz VKOBZYJSNUUSAY-DOTOQJQBSA-N 1 3 301.438 2.163 20 0 DEADHO C[C@@]1(C[NH2+]C2CCN(Cc3ccccn3)CC2)CCCNC1 ZINC000423323546 405762527 /nfs/dbraw/zinc/76/25/27/405762527.db2.gz IBYNSBSHDFMSMT-GOSISDBHSA-N 1 3 302.466 2.025 20 0 DEADHO CC(C)COC(=O)N1CCC([NH2+]CC2=CCN(C)CC2)CC1 ZINC000494708674 405752810 /nfs/dbraw/zinc/75/28/10/405752810.db2.gz DITHQXPTZVPOMQ-UHFFFAOYSA-N 1 3 309.454 2.095 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H]2NCCCC2(C)C)C1 ZINC000423316430 405758382 /nfs/dbraw/zinc/75/83/82/405758382.db2.gz ATNTVIJECVUJOI-HZPDHXFCSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2NCCCC2(C)C)C1 ZINC000423316430 405758389 /nfs/dbraw/zinc/75/83/89/405758389.db2.gz ATNTVIJECVUJOI-HZPDHXFCSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)[C@@H](CNC(=O)[C@H]1C[C@H](C)CCN1)[NH+]1CCC(C)CC1 ZINC000423322815 405760341 /nfs/dbraw/zinc/76/03/41/405760341.db2.gz IRZHVGVINKPJST-BRWVUGGUSA-N 1 3 309.498 2.247 20 0 DEADHO C[NH2+]CCc1ccccc1C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000423372545 405782409 /nfs/dbraw/zinc/78/24/09/405782409.db2.gz VYLMWXBPRPELOQ-HOTGVXAUSA-N 1 3 317.477 2.299 20 0 DEADHO N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000423381717 405782643 /nfs/dbraw/zinc/78/26/43/405782643.db2.gz NXRLORKNXCRXTA-RDJZCZTQSA-N 1 3 307.482 2.417 20 0 DEADHO N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000423381717 405782654 /nfs/dbraw/zinc/78/26/54/405782654.db2.gz NXRLORKNXCRXTA-RDJZCZTQSA-N 1 3 307.482 2.417 20 0 DEADHO CC(=O)NCCc1ccc([C@H](C)[NH2+][C@H]2CCNC[C@@H]2C)cc1 ZINC000423389327 405787297 /nfs/dbraw/zinc/78/72/97/405787297.db2.gz JIKPZPAZQIASLJ-DEYYWGMASA-N 1 3 303.450 2.014 20 0 DEADHO C[NH+](C)[C@H]1CCCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000423410304 405796192 /nfs/dbraw/zinc/79/61/92/405796192.db2.gz ZVRDLJIJRXOILE-JKSUJKDBSA-N 1 3 303.450 2.265 20 0 DEADHO CC1(C)CCCN[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000423421589 405802177 /nfs/dbraw/zinc/80/21/77/405802177.db2.gz YBEVFHNLPRPEAJ-HOTGVXAUSA-N 1 3 307.482 2.145 20 0 DEADHO CC1(C)CCCN[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000423421589 405802183 /nfs/dbraw/zinc/80/21/83/405802183.db2.gz YBEVFHNLPRPEAJ-HOTGVXAUSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2C[C@H](C)CCN2)CC1 ZINC000423428666 405803436 /nfs/dbraw/zinc/80/34/36/405803436.db2.gz KPDPRBDCJRLIEM-NVXWUHKLSA-N 1 3 309.498 2.249 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)N(C)C)cc1 ZINC000423348444 405770851 /nfs/dbraw/zinc/77/08/51/405770851.db2.gz UBFFLMZQUCNFGQ-SJORKVTESA-N 1 3 317.477 2.492 20 0 DEADHO CCN(Cc1ccc(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1)C1CC1 ZINC000423636924 405886184 /nfs/dbraw/zinc/88/61/84/405886184.db2.gz BRRADQYITIHPBS-GUYCJALGSA-N 1 3 301.434 2.233 20 0 DEADHO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1oc2ccccc2c1CN(C)C ZINC000423637740 405888115 /nfs/dbraw/zinc/88/81/15/405888115.db2.gz CXWJXDNGXJKTRI-BXUZGUMPSA-N 1 3 301.390 2.056 20 0 DEADHO O=C(CC1CCCCC1)NCCNC1CC[NH+](C2CC2)CC1 ZINC000459411153 405892278 /nfs/dbraw/zinc/89/22/78/405892278.db2.gz JDZXTZJIUIHRFI-UHFFFAOYSA-N 1 3 307.482 2.289 20 0 DEADHO CC1([NH+]2CCCC2)CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000633962456 405931945 /nfs/dbraw/zinc/93/19/45/405931945.db2.gz GOZHYRZLPVFSLH-INIZCTEOSA-N 1 3 305.466 2.090 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])cc1 ZINC000423733456 405934168 /nfs/dbraw/zinc/93/41/68/405934168.db2.gz PYPHNRXNIIKVPZ-FUHWJXTLSA-N 1 3 303.450 2.272 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000423736655 405936042 /nfs/dbraw/zinc/93/60/42/405936042.db2.gz DCMVQZPCDBKSBK-IRXDYDNUSA-N 1 3 303.450 2.224 20 0 DEADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000531302258 405940503 /nfs/dbraw/zinc/94/05/03/405940503.db2.gz LJLHSWBOZRVROP-ZWKOTPCHSA-N 1 3 315.461 2.061 20 0 DEADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000531302258 405940524 /nfs/dbraw/zinc/94/05/24/405940524.db2.gz LJLHSWBOZRVROP-ZWKOTPCHSA-N 1 3 315.461 2.061 20 0 DEADHO C[NH2+]C[C@H](C)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000423746600 405942905 /nfs/dbraw/zinc/94/29/05/405942905.db2.gz NWATVUALQKEGIT-ZDUSSCGKSA-N 1 3 311.857 2.086 20 0 DEADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000423749249 405944688 /nfs/dbraw/zinc/94/46/88/405944688.db2.gz RJJWKRGESFHXOL-GDBMZVCRSA-N 1 3 323.868 2.358 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000423772245 405955327 /nfs/dbraw/zinc/95/53/27/405955327.db2.gz KSIBCFQYWAUNJN-PMPSAXMXSA-N 1 3 323.868 2.447 20 0 DEADHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000423771866 405955411 /nfs/dbraw/zinc/95/54/11/405955411.db2.gz KASAXSFUGHOJAB-VDHUWJSZSA-N 1 3 315.461 2.408 20 0 DEADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000423771866 405955415 /nfs/dbraw/zinc/95/54/15/405955415.db2.gz KASAXSFUGHOJAB-VDHUWJSZSA-N 1 3 315.461 2.408 20 0 DEADHO CC(C)[C@H](C(=O)NCC1CCN(c2ccncc2)CC1)[C@H](C)[NH3+] ZINC000423782665 405965366 /nfs/dbraw/zinc/96/53/66/405965366.db2.gz IWTAAKNFKGBTQV-YOEHRIQHSA-N 1 3 318.465 2.034 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H]1CN1CCN(C2CCOCC2)C[C@H]1C ZINC000450884726 405986222 /nfs/dbraw/zinc/98/62/22/405986222.db2.gz SSVDGGYKXHHEMN-MJGOQNOKSA-N 1 3 323.525 2.434 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H]1CN1CCN(C2CCOCC2)C[C@H]1C ZINC000450884726 405986229 /nfs/dbraw/zinc/98/62/29/405986229.db2.gz SSVDGGYKXHHEMN-MJGOQNOKSA-N 1 3 323.525 2.434 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000462719866 406086222 /nfs/dbraw/zinc/08/62/22/406086222.db2.gz ONPABSDVEQDYBG-IKGGRYGDSA-N 1 3 324.513 2.233 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000462719866 406086225 /nfs/dbraw/zinc/08/62/25/406086225.db2.gz ONPABSDVEQDYBG-IKGGRYGDSA-N 1 3 324.513 2.233 20 0 DEADHO CC[NH+](CC)CC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000634456570 406137902 /nfs/dbraw/zinc/13/79/02/406137902.db2.gz GQRTXVVUKCTRGG-KRWDZBQOSA-N 1 3 303.450 2.027 20 0 DEADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000485213859 406182620 /nfs/dbraw/zinc/18/26/20/406182620.db2.gz XWLXQTRFUVTKAB-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000485213859 406182622 /nfs/dbraw/zinc/18/26/22/406182622.db2.gz XWLXQTRFUVTKAB-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO c1cc(N2CCCN(CCC[NH+]3CCCCC3)CC2)ccn1 ZINC000639701865 406212096 /nfs/dbraw/zinc/21/20/96/406212096.db2.gz FHCQRGIIKDMFPJ-UHFFFAOYSA-N 1 3 302.466 2.470 20 0 DEADHO CC1(C)C[C@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)CCO1 ZINC000634683073 406224160 /nfs/dbraw/zinc/22/41/60/406224160.db2.gz IYFFVQSMXSOCBG-QZTJIDSGSA-N 1 3 318.461 2.300 20 0 DEADHO C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639759726 406237777 /nfs/dbraw/zinc/23/77/77/406237777.db2.gz HTSDOQQZDIEJMV-CVEARBPZSA-N 1 3 307.482 2.099 20 0 DEADHO C[NH+]1CCC2(CCN([C@H]3CCN(C4CCCCC4)C3=O)C2)CC1 ZINC000639758987 406237891 /nfs/dbraw/zinc/23/78/91/406237891.db2.gz YYXHKFAGNKAUJQ-KRWDZBQOSA-N 1 3 319.493 2.338 20 0 DEADHO C[NH+](C)C[C@]1(O)CCCN(CCCOCCc2ccccc2)C1 ZINC000639763279 406241373 /nfs/dbraw/zinc/24/13/73/406241373.db2.gz QEYDDSKSSSJDRS-LJQANCHMSA-N 1 3 320.477 2.024 20 0 DEADHO OCC1([C@@H](NCCC[NH+]2CCCCC2)[C@@H]2CCCO2)CCC1 ZINC000639770051 406244275 /nfs/dbraw/zinc/24/42/75/406244275.db2.gz ZWWNLMTYWIAWDV-IRXDYDNUSA-N 1 3 310.482 2.162 20 0 DEADHO CC1CCC(O)(CNCc2ccncc2OCC[NH+](C)C)CC1 ZINC000569477707 406261229 /nfs/dbraw/zinc/26/12/29/406261229.db2.gz IBXYDIPEOQBOQG-UHFFFAOYSA-N 1 3 321.465 2.053 20 0 DEADHO CCN(C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)[C@H]1CCN(C)C1 ZINC000637368596 406281116 /nfs/dbraw/zinc/28/11/16/406281116.db2.gz RHZWIUAQYFMUHW-IRXDYDNUSA-N 1 3 322.497 2.129 20 0 DEADHO CCN(C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)[C@H]1CCN(C)C1 ZINC000637368596 406281119 /nfs/dbraw/zinc/28/11/19/406281119.db2.gz RHZWIUAQYFMUHW-IRXDYDNUSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000488354251 406313944 /nfs/dbraw/zinc/31/39/44/406313944.db2.gz KXXJFUCGXYQTGX-KCXAZCMYSA-N 1 3 323.868 2.257 20 0 DEADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000488354251 406313949 /nfs/dbraw/zinc/31/39/49/406313949.db2.gz KXXJFUCGXYQTGX-KCXAZCMYSA-N 1 3 323.868 2.257 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000637471589 406319290 /nfs/dbraw/zinc/31/92/90/406319290.db2.gz WFEPZBLBHRUMKD-DLBZAZTESA-N 1 3 322.497 2.127 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000637471589 406319294 /nfs/dbraw/zinc/31/92/94/406319294.db2.gz WFEPZBLBHRUMKD-DLBZAZTESA-N 1 3 322.497 2.127 20 0 DEADHO CC(C)[C@@H]1C[C@@H]([NH2+]CC2(O)CCN(C(C)C)CC2)CS1 ZINC000488427208 406319648 /nfs/dbraw/zinc/31/96/48/406319648.db2.gz FUZNNMYEDFWMFJ-CABCVRRESA-N 1 3 300.512 2.341 20 0 DEADHO c1nc2n(c1C[NH2+]C1CCN(c3ccncc3)CC1)CCCC2 ZINC000570054339 406340376 /nfs/dbraw/zinc/34/03/76/406340376.db2.gz MCMLKLVQHXYTLF-UHFFFAOYSA-N 1 3 311.433 2.373 20 0 DEADHO CN1CCN(CCC(C)(C)[NH2+]Cc2ccc3[nH]cnc3c2)CC1 ZINC000546019741 406344623 /nfs/dbraw/zinc/34/46/23/406344623.db2.gz SFJGMDFSXMENDG-UHFFFAOYSA-N 1 3 315.465 2.069 20 0 DEADHO CN1CCN(CCC(C)(C)[NH2+]Cc2ccc3nc[nH]c3c2)CC1 ZINC000546019741 406344629 /nfs/dbraw/zinc/34/46/29/406344629.db2.gz SFJGMDFSXMENDG-UHFFFAOYSA-N 1 3 315.465 2.069 20 0 DEADHO C[NH+](C)CC1(CNC[C@H](O)Cc2ccc(F)cc2)CCCC1 ZINC000521428404 406347133 /nfs/dbraw/zinc/34/71/33/406347133.db2.gz QVVSADBHMSIOKZ-QGZVFWFLSA-N 1 3 308.441 2.441 20 0 DEADHO N[C@H](CC(=O)N1C[C@@H](C[NH3+])Cc2ccccc21)c1ccccc1 ZINC000632868304 406299259 /nfs/dbraw/zinc/29/92/59/406299259.db2.gz GDKVDDVCWLJTPQ-RHSMWYFYSA-N 1 3 309.413 2.241 20 0 DEADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000520578123 406303028 /nfs/dbraw/zinc/30/30/28/406303028.db2.gz VHMPGJWZMCPOAS-FYRZTWFESA-N 1 3 310.486 2.018 20 0 DEADHO CCC[N@H+](CC)CCNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000489279458 406389259 /nfs/dbraw/zinc/38/92/59/406389259.db2.gz PIGJXCPHJSSVCQ-IXDOHACOSA-N 1 3 324.513 2.090 20 0 DEADHO CCC[N@@H+](CC)CCNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000489279458 406389263 /nfs/dbraw/zinc/38/92/63/406389263.db2.gz PIGJXCPHJSSVCQ-IXDOHACOSA-N 1 3 324.513 2.090 20 0 DEADHO CCO[C@H]1C[C@@H](Nc2cc(N3CCNCC3)cc[nH+]2)C1(C)C ZINC000635010528 406398484 /nfs/dbraw/zinc/39/84/84/406398484.db2.gz SWHBQJNBQAJBFD-CABCVRRESA-N 1 3 304.438 2.107 20 0 DEADHO CC[C@@]1(O)CCCN(C[C@H](C)C[N@@H+]2CCC[C@@](O)(CC)C2)C1 ZINC000640033273 406365612 /nfs/dbraw/zinc/36/56/12/406365612.db2.gz LHCNLWZRPCTGRZ-BCDXTJNWSA-N 1 3 312.498 2.096 20 0 DEADHO CC[C@@]1(O)CCCN(C[C@H](C)C[N@H+]2CCC[C@@](O)(CC)C2)C1 ZINC000640033273 406365615 /nfs/dbraw/zinc/36/56/15/406365615.db2.gz LHCNLWZRPCTGRZ-BCDXTJNWSA-N 1 3 312.498 2.096 20 0 DEADHO CC[C@@]1(O)CCC[N@@H+](C[C@H](C)CN2CCC[C@@](O)(CC)C2)C1 ZINC000640033273 406365619 /nfs/dbraw/zinc/36/56/19/406365619.db2.gz LHCNLWZRPCTGRZ-BCDXTJNWSA-N 1 3 312.498 2.096 20 0 DEADHO CC[C@@]1(O)CCC[N@H+](C[C@H](C)CN2CCC[C@@](O)(CC)C2)C1 ZINC000640033273 406365621 /nfs/dbraw/zinc/36/56/21/406365621.db2.gz LHCNLWZRPCTGRZ-BCDXTJNWSA-N 1 3 312.498 2.096 20 0 DEADHO CC[NH2+]CCCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000570278213 406370867 /nfs/dbraw/zinc/37/08/67/406370867.db2.gz RFJAWMLWJFDILG-INIZCTEOSA-N 1 3 321.440 2.154 20 0 DEADHO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000521880731 406372622 /nfs/dbraw/zinc/37/26/22/406372622.db2.gz BWQIOTKRPSPAJF-NRSFXHEJSA-N 1 3 315.461 2.235 20 0 DEADHO CCO[C@@H](CC[NH+](C)C)CNCc1ccc2nccnc2c1 ZINC000634967543 406377501 /nfs/dbraw/zinc/37/75/01/406377501.db2.gz QVJZGZZBIMTMMG-HNNXBMFYSA-N 1 3 302.422 2.076 20 0 DEADHO CN(CCC[NH+]1CCN(C)CC1)Cc1cnc(C2CC2)s1 ZINC000571272850 406499495 /nfs/dbraw/zinc/49/94/95/406499495.db2.gz VBWHBSOPSYXJBR-UHFFFAOYSA-N 1 3 308.495 2.090 20 0 DEADHO CCC[NH+]1CCC(NC(=O)N2CCCN(C(C)(C)C)CC2)CC1 ZINC000525305997 406484972 /nfs/dbraw/zinc/48/49/72/406484972.db2.gz ARJQMPHSQWCORS-UHFFFAOYSA-N 1 3 324.513 2.377 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)C2(C[NH+](C)C)CC2)N(C)C)cc1 ZINC000635437529 406536774 /nfs/dbraw/zinc/53/67/74/406536774.db2.gz QCGPDSDHWLVRHH-MRXNPFEDSA-N 1 3 303.450 2.056 20 0 DEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C1(C[NH+](C)C)CC1 ZINC000635445737 406540836 /nfs/dbraw/zinc/54/08/36/406540836.db2.gz ZSTMEKBHYWOARA-UHFFFAOYSA-N 1 3 321.440 2.058 20 0 DEADHO CC[NH2+][C@@H](C)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000638099793 406569239 /nfs/dbraw/zinc/56/92/39/406569239.db2.gz JEUYYIZULBFLGA-LSDHHAIUSA-N 1 3 303.450 2.326 20 0 DEADHO [NH3+][C@@H]1CC=C(C(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000638053041 406546011 /nfs/dbraw/zinc/54/60/11/406546011.db2.gz FQVHUZFAZWPKPV-GOSISDBHSA-N 1 3 313.445 2.336 20 0 DEADHO Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000571671052 406551993 /nfs/dbraw/zinc/55/19/93/406551993.db2.gz PQGGOIVTLWPXRD-GVDBMIGSSA-N 1 3 306.450 2.197 20 0 DEADHO C[C@@H]1C[C@H]([NH3+])CCN1CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000571696800 406554147 /nfs/dbraw/zinc/55/41/47/406554147.db2.gz OYMUGELBCFPGDY-QGPMSJSTSA-N 1 3 315.461 2.382 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000571773738 406564762 /nfs/dbraw/zinc/56/47/62/406564762.db2.gz DFPMXXIVTNXMCM-KRWDZBQOSA-N 1 3 307.482 2.195 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000571773738 406564768 /nfs/dbraw/zinc/56/47/68/406564768.db2.gz DFPMXXIVTNXMCM-KRWDZBQOSA-N 1 3 307.482 2.195 20 0 DEADHO CC[C@](C)(CN1CCN(C2CC[NH+](C(C)C)CC2)CC1)OC ZINC000638153764 406597071 /nfs/dbraw/zinc/59/70/71/406597071.db2.gz RWXZCNYBJIJANC-GOSISDBHSA-N 1 3 311.514 2.292 20 0 DEADHO O=C([C@@H]1CCN1C1CCCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000635588762 406605557 /nfs/dbraw/zinc/60/55/57/406605557.db2.gz IQGZEKUTNMJWAY-WMZOPIPTSA-N 1 3 319.493 2.480 20 0 DEADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000635618934 406628006 /nfs/dbraw/zinc/62/80/06/406628006.db2.gz FVYWRLNHEQZXFO-QZTJIDSGSA-N 1 3 315.461 2.061 20 0 DEADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000635618934 406628010 /nfs/dbraw/zinc/62/80/10/406628010.db2.gz FVYWRLNHEQZXFO-QZTJIDSGSA-N 1 3 315.461 2.061 20 0 DEADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000635619027 406628563 /nfs/dbraw/zinc/62/85/63/406628563.db2.gz FVYWRLNHEQZXFO-ZWKOTPCHSA-N 1 3 315.461 2.061 20 0 DEADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000635619027 406628570 /nfs/dbraw/zinc/62/85/70/406628570.db2.gz FVYWRLNHEQZXFO-ZWKOTPCHSA-N 1 3 315.461 2.061 20 0 DEADHO CC[NH2+][C@H](C)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000638114089 406575635 /nfs/dbraw/zinc/57/56/35/406575635.db2.gz XBMBRBUYFVRYIA-NUJGCVRESA-N 1 3 317.477 2.496 20 0 DEADHO [NH3+][C@@H](CC(=O)Nc1cccc2c1CCNC2)Cc1ccccc1 ZINC000571895432 406581188 /nfs/dbraw/zinc/58/11/88/406581188.db2.gz GWGFVWBZZHQSDJ-MRXNPFEDSA-N 1 3 309.413 2.231 20 0 DEADHO CC[NH2+][C@@H](C)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000638135206 406589409 /nfs/dbraw/zinc/58/94/09/406589409.db2.gz ROWCNHHMBGTOFA-HNNXBMFYSA-N 1 3 318.465 2.073 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC000635562513 406591330 /nfs/dbraw/zinc/59/13/30/406591330.db2.gz NZPCTGKCYVGGIV-INIZCTEOSA-N 1 3 307.482 2.243 20 0 DEADHO CC1(C)CN[C@H]1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000645928104 406704219 /nfs/dbraw/zinc/70/42/19/406704219.db2.gz WWNQRHSLFOJQNP-HOTGVXAUSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2NCC2(C)C)C1 ZINC000645989576 406732739 /nfs/dbraw/zinc/73/27/39/406732739.db2.gz MIHBVXOJLGPUMQ-PMPSAXMXSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2NCC2(C)C)C1 ZINC000645989576 406732744 /nfs/dbraw/zinc/73/27/44/406732744.db2.gz MIHBVXOJLGPUMQ-PMPSAXMXSA-N 1 3 307.482 2.097 20 0 DEADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000527745757 406735704 /nfs/dbraw/zinc/73/57/04/406735704.db2.gz OAUPPVCXKXCXHX-IAGOWNOFSA-N 1 3 322.497 2.177 20 0 DEADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000527745757 406735710 /nfs/dbraw/zinc/73/57/10/406735710.db2.gz OAUPPVCXKXCXHX-IAGOWNOFSA-N 1 3 322.497 2.177 20 0 DEADHO CC[C@@H](CN1CCCC1)NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000646010754 406742603 /nfs/dbraw/zinc/74/26/03/406742603.db2.gz JEGPOIAIFYRBAI-YKDOHLLJSA-N 1 3 307.482 2.131 20 0 DEADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)CN2CCCCC2)[C@]12CCCO2 ZINC000638391322 406742962 /nfs/dbraw/zinc/74/29/62/406742962.db2.gz PDPWMORBTYIMCI-WNRNVDISSA-N 1 3 310.482 2.425 20 0 DEADHO CN(C)C/C=C\C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000491869847 406754915 /nfs/dbraw/zinc/75/49/15/406754915.db2.gz OGMFRFHJVJKLHR-TWGQIWQCSA-N 1 3 301.434 2.016 20 0 DEADHO CC(C)(C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[C@H](N)c1ccccc1 ZINC000645953506 406719741 /nfs/dbraw/zinc/71/97/41/406719741.db2.gz WQSOPYWLBFCSKV-DLBZAZTESA-N 1 3 315.461 2.313 20 0 DEADHO CC(C)(C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[C@H](N)c1ccccc1 ZINC000645953506 406719744 /nfs/dbraw/zinc/71/97/44/406719744.db2.gz WQSOPYWLBFCSKV-DLBZAZTESA-N 1 3 315.461 2.313 20 0 DEADHO C[C@H]1CCC[N@H+](CCCCNCc2cc3c(cn2)OCCO3)C1 ZINC000638365795 406727293 /nfs/dbraw/zinc/72/72/93/406727293.db2.gz HWNXLRZIKXQKRJ-HNNXBMFYSA-N 1 3 319.449 2.455 20 0 DEADHO C[C@H]1CCC[N@@H+](CCCCNCc2cc3c(cn2)OCCO3)C1 ZINC000638365795 406727295 /nfs/dbraw/zinc/72/72/95/406727295.db2.gz HWNXLRZIKXQKRJ-HNNXBMFYSA-N 1 3 319.449 2.455 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)/C=C/C[NH+](C)C)N(C)C ZINC000491964764 406792625 /nfs/dbraw/zinc/79/26/25/406792625.db2.gz OFQNXPPXYKGYNS-XAOZXZMCSA-N 1 3 303.450 2.220 20 0 DEADHO C[NH2+]C[C@H](C)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000646408655 406858691 /nfs/dbraw/zinc/85/86/91/406858691.db2.gz AIZAWLGWOKMWPQ-RDJZCZTQSA-N 1 3 303.450 2.185 20 0 DEADHO CC[NH+](CC)CC[C@@H](CO)NC1CCN(c2ccccc2)CC1 ZINC000641770534 406888454 /nfs/dbraw/zinc/88/84/54/406888454.db2.gz VNSMUIIYLPJAAK-SFHVURJKSA-N 1 3 319.493 2.338 20 0 DEADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NCCCc1nc(-c2ccccc2)no1 ZINC000641804934 406896925 /nfs/dbraw/zinc/89/69/25/406896925.db2.gz MHDATSBQHAHMOY-KBPBESRZSA-N 1 3 300.406 2.385 20 0 DEADHO CCN1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C)o2)C1 ZINC000647171932 406964219 /nfs/dbraw/zinc/96/42/19/406964219.db2.gz AZSZSOLQHWWKEL-AWEZNQCLSA-N 1 3 302.422 2.420 20 0 DEADHO CN1CCN(CCCC[NH2+][C@H]2CCCc3ccc(O)cc32)CC1 ZINC000643307473 406978483 /nfs/dbraw/zinc/97/84/83/406978483.db2.gz QVDLRVHIJGGQBN-IBGZPJMESA-N 1 3 317.477 2.387 20 0 DEADHO C[C@@H](CCCC[NH3+])N[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000643533246 407011297 /nfs/dbraw/zinc/01/12/97/407011297.db2.gz XPJYUKVQOGZCIL-SMDDNHRTSA-N 1 3 314.426 2.151 20 0 DEADHO Cc1cccc(C2([NH2+]C[C@@H]3CCCN(C(=O)CN)C3)CCC2)c1 ZINC000647553063 407019981 /nfs/dbraw/zinc/01/99/81/407019981.db2.gz YTRUAXBSPWSRDV-INIZCTEOSA-N 1 3 315.461 2.161 20 0 DEADHO FC(F)COc1ncccc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647793924 407051904 /nfs/dbraw/zinc/05/19/04/407051904.db2.gz MIHPADWCAXFKRT-MRVWCRGKSA-N 1 3 311.376 2.203 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccccc1CN1CCCC1=O ZINC000643460561 407002847 /nfs/dbraw/zinc/00/28/47/407002847.db2.gz JGEWBPDIEWUXLA-MAUKXSAKSA-N 1 3 315.461 2.416 20 0 DEADHO CC(C)(CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCCCO1 ZINC000643466872 407003503 /nfs/dbraw/zinc/00/35/03/407003503.db2.gz WRPZZYAMMRQLCF-YYIAUSFCSA-N 1 3 310.482 2.328 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000643489643 407006727 /nfs/dbraw/zinc/00/67/27/407006727.db2.gz POYVATQUZNWKOE-SRVCANOKSA-N 1 3 304.434 2.249 20 0 DEADHO Cc1cc(CCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)on1 ZINC000643489064 407006879 /nfs/dbraw/zinc/00/68/79/407006879.db2.gz MSELRGDKINMZPH-WMZOPIPTSA-N 1 3 313.401 2.371 20 0 DEADHO COc1cccc([C@H]2C[C@H](N[C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])C2)c1 ZINC000643493362 407007500 /nfs/dbraw/zinc/00/75/00/407007500.db2.gz JZNCTKAXRPVJJR-FIFHEGHSSA-N 1 3 304.434 2.283 20 0 DEADHO COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@@H](C)N)C2)c1 ZINC000643493362 407007502 /nfs/dbraw/zinc/00/75/02/407007502.db2.gz JZNCTKAXRPVJJR-FIFHEGHSSA-N 1 3 304.434 2.283 20 0 DEADHO CCC(CC)NC(=O)[C@H](C)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976536 407091742 /nfs/dbraw/zinc/09/17/42/407091742.db2.gz PTHXFFMXILSSIO-ARFHVFGLSA-N 1 3 309.498 2.391 20 0 DEADHO CCOc1ccccc1NC(=O)CCN1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000647934436 407078738 /nfs/dbraw/zinc/07/87/38/407078738.db2.gz FWWAETLHUGAQFF-HUUCEWRRSA-N 1 3 319.449 2.473 20 0 DEADHO CC(C)[N@H+](C)CC1CCN([C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000644921407 407214882 /nfs/dbraw/zinc/21/48/82/407214882.db2.gz XQIDOYHIELFUBI-INIZCTEOSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN([C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000644921407 407214883 /nfs/dbraw/zinc/21/48/83/407214883.db2.gz XQIDOYHIELFUBI-INIZCTEOSA-N 1 3 309.498 2.438 20 0 DEADHO CCCN(C(=O)NC[C@@H](C)C[NH+]1CCCCC1)[C@H]1CCN(C)C1 ZINC000645195964 407245056 /nfs/dbraw/zinc/24/50/56/407245056.db2.gz CCNFQOUUIAMUSJ-SJORKVTESA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H]1CCCN(C(=O)CN2CCCC3(CC[NH+](C)CC3)C2)C1 ZINC000374175802 287328832 /nfs/dbraw/zinc/32/88/32/287328832.db2.gz ROSIUZVQOOOJCX-MRXNPFEDSA-N 1 3 307.482 2.053 20 0 DEADHO C[C@@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1ccc(OCCN(C)C)cc1 ZINC000295843549 225304114 /nfs/dbraw/zinc/30/41/14/225304114.db2.gz APYBTLLMSLSPBQ-INMHGKMJSA-N 1 3 306.450 2.439 20 0 DEADHO CC(C)[NH2+]CCCNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000572467193 292620939 /nfs/dbraw/zinc/62/09/39/292620939.db2.gz NUPGFHCBJKRKKX-NVXWUHKLSA-N 1 3 320.481 2.365 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)N(C)[C@@H](C)C[NH3+])N2CCCC2)cc1 ZINC000417355056 229012915 /nfs/dbraw/zinc/01/29/15/229012915.db2.gz NCQCKEKILMMWEW-DOTOQJQBSA-N 1 3 318.465 2.121 20 0 DEADHO C[C@@H](NC(=O)N1CCC(C[NH3+])CC1)[C@@H](c1ccccc1)N(C)C ZINC000418174549 229255935 /nfs/dbraw/zinc/25/59/35/229255935.db2.gz FGDWNRHLPYVJHV-PBHICJAKSA-N 1 3 318.465 2.058 20 0 DEADHO Cc1cc(F)ccc1CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422869033 230250321 /nfs/dbraw/zinc/25/03/21/230250321.db2.gz VWUAGJIQWTYMPZ-RCCFBDPRSA-N 1 3 306.425 2.423 20 0 DEADHO O=C(NCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1)C1CCC1 ZINC000422922496 230279173 /nfs/dbraw/zinc/27/91/73/230279173.db2.gz SXXJXTDRVAKXCG-BRWVUGGUSA-N 1 3 307.482 2.193 20 0 DEADHO O=C(NCCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C1CCC1 ZINC000422922496 230279178 /nfs/dbraw/zinc/27/91/78/230279178.db2.gz SXXJXTDRVAKXCG-BRWVUGGUSA-N 1 3 307.482 2.193 20 0 DEADHO c1ccc(C[C@@H]2C[C@@H]2N[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422927190 230280219 /nfs/dbraw/zinc/28/02/19/230280219.db2.gz YFVHKCPUDOPHHD-SPOLIRPYSA-N 1 3 300.446 2.364 20 0 DEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCc1ccc2c(c1)OCCO2 ZINC000422927571 230280603 /nfs/dbraw/zinc/28/06/03/230280603.db2.gz GTXSFKDWBYWXRJ-HOTGVXAUSA-N 1 3 304.434 2.498 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)[C@H](O)Cc1ccccc1 ZINC000422992505 230309050 /nfs/dbraw/zinc/30/90/50/230309050.db2.gz CSRWVFMAPFZAPU-ZBQZNYHESA-N 1 3 313.445 2.491 20 0 DEADHO Fc1cccc(NCCCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423035506 230325465 /nfs/dbraw/zinc/32/54/65/230325465.db2.gz ROABGYZVPSQSSW-RCCFBDPRSA-N 1 3 321.440 2.374 20 0 DEADHO C[C@@H](O)[C@@](C)(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000423068414 230336574 /nfs/dbraw/zinc/33/65/74/230336574.db2.gz BSWBSFXCWJCFER-ZLMZNLFFSA-N 1 3 302.462 2.489 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000423072353 230337789 /nfs/dbraw/zinc/33/77/89/230337789.db2.gz GYDQRNZYIBBLHL-YQQAZPJKSA-N 1 3 307.507 2.319 20 0 DEADHO C[C@H]1CN(CCCC[NH2+]Cc2cnc3ccccn23)C[C@H](C)O1 ZINC000195719219 424883229 /nfs/dbraw/zinc/88/32/29/424883229.db2.gz OVQRMHAOUAMJEE-HOTGVXAUSA-N 1 3 316.449 2.313 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407304172 424931610 /nfs/dbraw/zinc/93/16/10/424931610.db2.gz DGZXYXITMOXFHN-ZTFGCOKTSA-N 1 3 315.461 2.154 20 0 DEADHO O=C(C[C@@H]1CC[NH2+]C1)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000309924348 424893986 /nfs/dbraw/zinc/89/39/86/424893986.db2.gz WYHUKGWNEWIAQF-ROUUACIJSA-N 1 3 315.461 2.014 20 0 DEADHO CC[NH+](CC)CCN(CC(C)C)C(=O)[C@H]1CNCCC1(F)F ZINC000649298862 424986328 /nfs/dbraw/zinc/98/63/28/424986328.db2.gz DAMPGMXOLOJEBZ-CQSZACIVSA-N 1 3 319.440 2.058 20 0 DEADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCNc1ccc(C(F)(F)F)cn1 ZINC000422832265 424987591 /nfs/dbraw/zinc/98/75/91/424987591.db2.gz LAGMHZWMRCPQPP-GHMZBOCLSA-N 1 3 304.360 2.618 20 0 DEADHO C[C@@H]([NH3+])C[C@@H](C)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000422832265 424987592 /nfs/dbraw/zinc/98/75/92/424987592.db2.gz LAGMHZWMRCPQPP-GHMZBOCLSA-N 1 3 304.360 2.618 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000649323593 424992115 /nfs/dbraw/zinc/99/21/15/424992115.db2.gz FZHKXGJWAIAZEX-BMFZPTHFSA-N 1 3 301.434 2.066 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CNCc3ccccc32)[C@H](C)C1 ZINC000649340707 424996753 /nfs/dbraw/zinc/99/67/53/424996753.db2.gz KSVXQSOXSXDLAV-OLMNPRSZSA-N 1 3 315.461 2.062 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CNCc3ccccc32)[C@H](C)C1 ZINC000649340707 424996755 /nfs/dbraw/zinc/99/67/55/424996755.db2.gz KSVXQSOXSXDLAV-OLMNPRSZSA-N 1 3 315.461 2.062 20 0 DEADHO CCCn1cc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cn1 ZINC000650723781 425042242 /nfs/dbraw/zinc/04/22/42/425042242.db2.gz TYOPCHREEXOUJE-ZACQAIPSSA-N 1 3 306.454 2.154 20 0 DEADHO CC[N@H+](CCCN[C@@H](C1CC1)[C@H]1CNCCO1)C1CCCCC1 ZINC000650741753 425046270 /nfs/dbraw/zinc/04/62/70/425046270.db2.gz KTEPWBVHJDSNKF-MOPGFXCFSA-N 1 3 323.525 2.388 20 0 DEADHO CC[N@@H+](CCCN[C@@H](C1CC1)[C@H]1CNCCO1)C1CCCCC1 ZINC000650741753 425046273 /nfs/dbraw/zinc/04/62/73/425046273.db2.gz KTEPWBVHJDSNKF-MOPGFXCFSA-N 1 3 323.525 2.388 20 0 DEADHO COc1ccc2c(c1)C[C@H](NCc1ccc(C[NH3+])cc1F)CO2 ZINC000650755856 425049199 /nfs/dbraw/zinc/04/91/99/425049199.db2.gz OJCHXZMIQQOLBU-HNNXBMFYSA-N 1 3 316.376 2.386 20 0 DEADHO COc1ccc(C[C@@H](C)NCc2ccc(C[NH3+])cc2F)cn1 ZINC000650756064 425049895 /nfs/dbraw/zinc/04/98/95/425049895.db2.gz TWVUKTGMISOCKQ-GFCCVEGCSA-N 1 3 303.381 2.409 20 0 DEADHO COC[C@H](CC(C)(C)C)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000651709363 425144226 /nfs/dbraw/zinc/14/42/26/425144226.db2.gz UFYFALXQTFKWRZ-HOTGVXAUSA-N 1 3 311.514 2.196 20 0 DEADHO Clc1ccc2cccnc2c1CNCCCN1CC[NH2+]CC1 ZINC000666738188 425170940 /nfs/dbraw/zinc/17/09/40/425170940.db2.gz DHSJFIDKCDEAQN-UHFFFAOYSA-N 1 3 318.852 2.273 20 0 DEADHO CCCN(C(=O)N[C@H](C)C[NH+]1CCC(C)CC1)[C@H]1CCN(C)C1 ZINC000666753363 425175981 /nfs/dbraw/zinc/17/59/81/425175981.db2.gz USYVRWUSQRGETP-SJORKVTESA-N 1 3 324.513 2.233 20 0 DEADHO Cn1nnc2cc(CN3CCC([C@@H]4CCC[NH2+]C4)CC3)ccc21 ZINC000656785145 425188513 /nfs/dbraw/zinc/18/85/13/425188513.db2.gz JLEDQYUMBMCWEH-MRXNPFEDSA-N 1 3 313.449 2.180 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@H](C3CCCCC3)C2)C1 ZINC000656791316 425191595 /nfs/dbraw/zinc/19/15/95/425191595.db2.gz XEZCZWSGKUPUMZ-DOTOQJQBSA-N 1 3 307.482 2.086 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CC[C@@H](C3CCCCC3)C2)C1 ZINC000656791316 425191597 /nfs/dbraw/zinc/19/15/97/425191597.db2.gz XEZCZWSGKUPUMZ-DOTOQJQBSA-N 1 3 307.482 2.086 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000666857960 425198854 /nfs/dbraw/zinc/19/88/54/425198854.db2.gz RDOFWAASTIGAGV-KBPBESRZSA-N 1 3 305.422 2.144 20 0 DEADHO CC[C@@H](C)N[C@@H](CNC(=O)NCCC1(C[NH3+])CC1)c1ccco1 ZINC000652191226 425209019 /nfs/dbraw/zinc/20/90/19/425209019.db2.gz ODFBUAILJLPSGS-KGLIPLIRSA-N 1 3 322.453 2.137 20 0 DEADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCC[C@H]1COc1ccccc1 ZINC000660670958 425203214 /nfs/dbraw/zinc/20/32/14/425203214.db2.gz IIPCLVOXBXBYNX-IRXDYDNUSA-N 1 3 306.450 2.231 20 0 DEADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCC[C@H]1COc1ccccc1 ZINC000660670958 425203217 /nfs/dbraw/zinc/20/32/17/425203217.db2.gz IIPCLVOXBXBYNX-IRXDYDNUSA-N 1 3 306.450 2.231 20 0 DEADHO CC[N@@H+]1CC[C@H](NC[C@]2(CO)CCc3ccccc32)[C@H](C)C1 ZINC000651884096 425150786 /nfs/dbraw/zinc/15/07/86/425150786.db2.gz ZWRQDYVRGOIOIG-MNEFBYGVSA-N 1 3 302.462 2.183 20 0 DEADHO CC[N@H+]1CC[C@H](NC[C@]2(CO)CCc3ccccc32)[C@H](C)C1 ZINC000651884096 425150787 /nfs/dbraw/zinc/15/07/87/425150787.db2.gz ZWRQDYVRGOIOIG-MNEFBYGVSA-N 1 3 302.462 2.183 20 0 DEADHO C[NH+](C)CCOc1ccc(CN2CC3(C2)CCOCC3)cc1 ZINC000656691687 425160803 /nfs/dbraw/zinc/16/08/03/425160803.db2.gz XQBOXQCUYVYDDL-UHFFFAOYSA-N 1 3 304.434 2.239 20 0 DEADHO CCN(CC)C(=O)C[C@H](C)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663468558 425164923 /nfs/dbraw/zinc/16/49/23/425164923.db2.gz MCUPQQOICKLNPX-DOTOQJQBSA-N 1 3 309.498 2.345 20 0 DEADHO CCN(CC)C(=O)C[C@H](C)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468558 425164926 /nfs/dbraw/zinc/16/49/26/425164926.db2.gz MCUPQQOICKLNPX-DOTOQJQBSA-N 1 3 309.498 2.345 20 0 DEADHO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663468558 425164932 /nfs/dbraw/zinc/16/49/32/425164932.db2.gz MCUPQQOICKLNPX-DOTOQJQBSA-N 1 3 309.498 2.345 20 0 DEADHO CC[N@H+](C)C[C@@H](O)CN1CCCC[C@@H]1Cc1ccc(OC)cc1 ZINC000653779294 425226318 /nfs/dbraw/zinc/22/63/18/425226318.db2.gz SXADNTGFCPAAIR-QZTJIDSGSA-N 1 3 320.477 2.405 20 0 DEADHO CC[N@@H+](C)C[C@@H](O)CN1CCCC[C@@H]1Cc1ccc(OC)cc1 ZINC000653779294 425226323 /nfs/dbraw/zinc/22/63/23/425226323.db2.gz SXADNTGFCPAAIR-QZTJIDSGSA-N 1 3 320.477 2.405 20 0 DEADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000660833067 425249719 /nfs/dbraw/zinc/24/97/19/425249719.db2.gz CYVSTPBYTPMAPP-JKSUJKDBSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)c1ccc(F)cc1 ZINC000657071732 425252983 /nfs/dbraw/zinc/25/29/83/425252983.db2.gz TYIBLJZSXJTNKY-AWEZNQCLSA-N 1 3 324.444 2.244 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)c1ccc(F)cc1 ZINC000657071732 425252987 /nfs/dbraw/zinc/25/29/87/425252987.db2.gz TYIBLJZSXJTNKY-AWEZNQCLSA-N 1 3 324.444 2.244 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000653955140 425259784 /nfs/dbraw/zinc/25/97/84/425259784.db2.gz LUVBLEXJZCNYPU-ZACQAIPSSA-N 1 3 322.497 2.033 20 0 DEADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000653955140 425259785 /nfs/dbraw/zinc/25/97/85/425259785.db2.gz LUVBLEXJZCNYPU-ZACQAIPSSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N(C)CCN2CCCCC2)cc1 ZINC000652210329 425214418 /nfs/dbraw/zinc/21/44/18/425214418.db2.gz PIVFCWVGNYBAPT-OAHLLOKOSA-N 1 3 318.465 2.334 20 0 DEADHO CC[C@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)CO1 ZINC000657378459 425319072 /nfs/dbraw/zinc/31/90/72/425319072.db2.gz WVXLMKZZNQBRIC-IRXDYDNUSA-N 1 3 309.498 2.094 20 0 DEADHO Cc1nc2c(c(N[C@@H](C)C[N@H+](C)CCCN(C)C)n1)CCCC2 ZINC000664195487 425327768 /nfs/dbraw/zinc/32/77/68/425327768.db2.gz CKWGIVOICDNUFY-AWEZNQCLSA-N 1 3 319.497 2.348 20 0 DEADHO Cc1nc2c(c(N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1)CCCC2 ZINC000664195487 425327771 /nfs/dbraw/zinc/32/77/71/425327771.db2.gz CKWGIVOICDNUFY-AWEZNQCLSA-N 1 3 319.497 2.348 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654385287 425338792 /nfs/dbraw/zinc/33/87/92/425338792.db2.gz CEMLIXWGBUXQDM-HZPDHXFCSA-N 1 3 322.497 2.129 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000654385287 425338796 /nfs/dbraw/zinc/33/87/96/425338796.db2.gz CEMLIXWGBUXQDM-HZPDHXFCSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CC[C@@H](C)CC1 ZINC000664043324 425294552 /nfs/dbraw/zinc/29/45/52/425294552.db2.gz CPUAMZZDHVPHAD-JYJNAYRXSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CC[C@@H](C)CC1 ZINC000664043324 425294556 /nfs/dbraw/zinc/29/45/56/425294556.db2.gz CPUAMZZDHVPHAD-JYJNAYRXSA-N 1 3 312.502 2.136 20 0 DEADHO CC(C)[C@@H](C[NH2+]Cc1ccnn1-c1ccncc1)N1CCCC1 ZINC000657303987 425298070 /nfs/dbraw/zinc/29/80/70/425298070.db2.gz ULEXPJRZSZCCRF-GOSISDBHSA-N 1 3 313.449 2.477 20 0 DEADHO C[C@H](CNC(=O)NCC[C@H](C)[NH+](C)C)N(C)Cc1ccccc1 ZINC000664069207 425300155 /nfs/dbraw/zinc/30/01/55/425300155.db2.gz ARKZTKSSKQVMIC-JKSUJKDBSA-N 1 3 320.481 2.146 20 0 DEADHO C[N@H+](CCNC(=O)N[C@@H]1CCCN2CCCC[C@H]12)C1CCCC1 ZINC000654430043 425351173 /nfs/dbraw/zinc/35/11/73/425351173.db2.gz CPAJLCLUMXCJAJ-IAGOWNOFSA-N 1 3 322.497 2.177 20 0 DEADHO C[N@@H+](CCNC(=O)N[C@@H]1CCCN2CCCC[C@H]12)C1CCCC1 ZINC000654430043 425351178 /nfs/dbraw/zinc/35/11/78/425351178.db2.gz CPAJLCLUMXCJAJ-IAGOWNOFSA-N 1 3 322.497 2.177 20 0 DEADHO C[NH+]1CCC(CCNC(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000654427248 425351321 /nfs/dbraw/zinc/35/13/21/425351321.db2.gz GQLSXZFDEJJSJJ-IRXDYDNUSA-N 1 3 322.497 2.034 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+]CC(O)(C2CC2)C2CC2)cc1 ZINC000657698877 425388786 /nfs/dbraw/zinc/38/87/86/425388786.db2.gz VNOXJDSIBVAUHV-UHFFFAOYSA-N 1 3 318.461 2.268 20 0 DEADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000653106176 425405528 /nfs/dbraw/zinc/40/55/28/425405528.db2.gz WLRXQNLCTBNDSI-HUUCEWRRSA-N 1 3 321.490 2.391 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000653106165 425406415 /nfs/dbraw/zinc/40/64/15/425406415.db2.gz WGTUBJIAJLMOEY-MSOLQXFVSA-N 1 3 317.477 2.358 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+][C@H]2CCCn3nccc32)[C@@H](C)C1 ZINC000657884151 425413025 /nfs/dbraw/zinc/41/30/25/425413025.db2.gz LEFXUZKLQFMNTL-ULQDDVLXSA-N 1 3 320.481 2.445 20 0 DEADHO COc1cc2[nH+]ccc(N(C)CC3CN(C)C3)c2cc1OC ZINC000664330356 425363641 /nfs/dbraw/zinc/36/36/41/425363641.db2.gz OYKLITXLGWPSGR-UHFFFAOYSA-N 1 3 301.390 2.250 20 0 DEADHO COc1ccc(F)c(CN[C@@H](C)CN(C)CCC[NH+](C)C)c1 ZINC000657572571 425367278 /nfs/dbraw/zinc/36/72/78/425367278.db2.gz BINLQYNAESJIBU-AWEZNQCLSA-N 1 3 311.445 2.196 20 0 DEADHO COc1ccc(F)cc1CN[C@@H](C)CN(C)CCC[NH+](C)C ZINC000657572837 425368070 /nfs/dbraw/zinc/36/80/70/425368070.db2.gz HQXYHBREGIWPAR-AWEZNQCLSA-N 1 3 311.445 2.196 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)C[C@H](C)O1 ZINC000657598253 425374097 /nfs/dbraw/zinc/37/40/97/425374097.db2.gz ZMTPGXBXUQALEX-QXGSTGNESA-N 1 3 318.461 2.299 20 0 DEADHO CN(C)C[C@@H](NC(=O)[C@H]1CCC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000653150502 425418050 /nfs/dbraw/zinc/41/80/50/425418050.db2.gz DFVIYHKOGDWWBF-GOEBONIOSA-N 1 3 323.868 2.449 20 0 DEADHO c1cn2c(n1)[C@@H](NCC1CC[NH+](C3CCOCC3)CC1)CCC2 ZINC000658069634 425434245 /nfs/dbraw/zinc/43/42/45/425434245.db2.gz POTFDKNIXPUNRA-KRWDZBQOSA-N 1 3 318.465 2.199 20 0 DEADHO C[NH2+]Cc1ccccc1CNC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000653210720 425434601 /nfs/dbraw/zinc/43/46/01/425434601.db2.gz GKHGJBFOSPSJIR-RDTXWAMCSA-N 1 3 311.429 2.358 20 0 DEADHO C[C@H](C(=O)NCc1ccc(C[NH3+])cc1F)[C@@H](N)c1ccccc1 ZINC000653225921 425438870 /nfs/dbraw/zinc/43/88/70/425438870.db2.gz KCSZERYGUMEKFH-YVEFUNNKSA-N 1 3 315.392 2.237 20 0 DEADHO CCN(C(=O)NC[C@H]1CCCCN1C1CC1)[C@H]1CC[N@H+](CC)C1 ZINC000664760663 425450488 /nfs/dbraw/zinc/45/04/88/425450488.db2.gz ZASZDXLTPZSTQZ-SJORKVTESA-N 1 3 322.497 2.129 20 0 DEADHO CCN(C(=O)NC[C@H]1CCCCN1C1CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000664760663 425450492 /nfs/dbraw/zinc/45/04/92/425450492.db2.gz ZASZDXLTPZSTQZ-SJORKVTESA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@H]1CCOC1 ZINC000658164865 425450908 /nfs/dbraw/zinc/45/09/08/425450908.db2.gz FYWQHBXAKJMBGU-QAPCUYQASA-N 1 3 303.450 2.308 20 0 DEADHO C[C@H](CN1CCC(C)CC1)[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000658240208 425458699 /nfs/dbraw/zinc/45/86/99/425458699.db2.gz QWQAAGIXSWWRJT-MJGOQNOKSA-N 1 3 323.525 2.340 20 0 DEADHO C[C@@H](CCNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C)[NH+](C)C ZINC000664868073 425469546 /nfs/dbraw/zinc/46/95/46/425469546.db2.gz VTTNRTOHCYCPEU-YQQAZPJKSA-N 1 3 320.481 2.317 20 0 DEADHO OC1(CNC2CC[NH+](CC3CC3)CC2)CCC(F)(F)CC1 ZINC000658322439 425473142 /nfs/dbraw/zinc/47/31/42/425473142.db2.gz HFBTWANRPXQCST-UHFFFAOYSA-N 1 3 302.409 2.391 20 0 DEADHO COC[C@H](CCC[NH3+])NCc1cc(F)ccc1OC(F)F ZINC000665282976 425536432 /nfs/dbraw/zinc/53/64/32/425536432.db2.gz FOOUHURLYHRMIH-LBPRGKRZSA-N 1 3 306.328 2.271 20 0 DEADHO COC[C@H](CCC[NH3+])N[C@H]1CCc2ccccc2-n2ccnc21 ZINC000665298978 425539136 /nfs/dbraw/zinc/53/91/36/425539136.db2.gz DHSUGLGDNFNFHD-HOTGVXAUSA-N 1 3 314.433 2.203 20 0 DEADHO C[C@@H]1CCNC[C@H]1[NH2+]Cc1cccc(COC[C@@H]2CCCO2)c1 ZINC000665294404 425540110 /nfs/dbraw/zinc/54/01/10/425540110.db2.gz OBHZNNWLRUOBRE-AYOQOUSVSA-N 1 3 318.461 2.470 20 0 DEADHO O=C([C@H]1C[C@@]12CCC[NH2+]C2)N1CCN(CC2CCCCC2)CC1 ZINC000655443381 425567991 /nfs/dbraw/zinc/56/79/91/425567991.db2.gz IBXFDAPZLCKLJE-IEBWSBKVSA-N 1 3 319.493 2.101 20 0 DEADHO CCN(C(=O)[C@H](C)[NH2+]C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000655445722 425569264 /nfs/dbraw/zinc/56/92/64/425569264.db2.gz KCTJIKQWPCWDFB-UXLLHSPISA-N 1 3 303.450 2.278 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000655495498 425582834 /nfs/dbraw/zinc/58/28/34/425582834.db2.gz ZYVOZEXBZGECHU-INIZCTEOSA-N 1 3 303.450 2.062 20 0 DEADHO [NH3+]Cc1ccc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cc1 ZINC000659368688 425586605 /nfs/dbraw/zinc/58/66/05/425586605.db2.gz MFTHMLOPQAEPBM-KRWDZBQOSA-N 1 3 311.385 2.059 20 0 DEADHO C([C@@H]1CCC2(CNC2)O1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000662259836 425603516 /nfs/dbraw/zinc/60/35/16/425603516.db2.gz BWGCCGKIBDPEGB-SFHVURJKSA-N 1 3 321.509 2.095 20 0 DEADHO C([C@@H]1CCC2(CNC2)O1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000662259836 425603518 /nfs/dbraw/zinc/60/35/18/425603518.db2.gz BWGCCGKIBDPEGB-SFHVURJKSA-N 1 3 321.509 2.095 20 0 DEADHO Cc1csc(C2(NC[C@@H]3CCC4(C[NH2+]C4)O3)CCCC2)n1 ZINC000662263399 425606648 /nfs/dbraw/zinc/60/66/48/425606648.db2.gz MGRXNLRFPUDXCE-ZDUSSCGKSA-N 1 3 307.463 2.331 20 0 DEADHO C[N@H+](C[C@H]1CCC2(CNC2)O1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000662263115 425607006 /nfs/dbraw/zinc/60/70/06/425607006.db2.gz KWDNKZKLTRWHPM-QZTJIDSGSA-N 1 3 315.461 2.108 20 0 DEADHO C[N@@H+](C[C@H]1CCC2(CNC2)O1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000662263115 425607009 /nfs/dbraw/zinc/60/70/09/425607009.db2.gz KWDNKZKLTRWHPM-QZTJIDSGSA-N 1 3 315.461 2.108 20 0 DEADHO C[C@H]1CC[C@@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)CS1 ZINC000655738845 425643246 /nfs/dbraw/zinc/64/32/46/425643246.db2.gz ZPVYXLIQQQGFEG-DZGCQCFKSA-N 1 3 309.479 2.396 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N1CCC([NH2+]CC2CC2)CC1 ZINC000662420512 425647450 /nfs/dbraw/zinc/64/74/50/425647450.db2.gz AWDNJTWAZSZRSV-SFHVURJKSA-N 1 3 313.445 2.212 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662422375 425647746 /nfs/dbraw/zinc/64/77/46/425647746.db2.gz VGNRMCLXLGKCJF-MAUKXSAKSA-N 1 3 315.461 2.458 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662422375 425647750 /nfs/dbraw/zinc/64/77/50/425647750.db2.gz VGNRMCLXLGKCJF-MAUKXSAKSA-N 1 3 315.461 2.458 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000662421207 425647996 /nfs/dbraw/zinc/64/79/96/425647996.db2.gz VNTXSSPJNZSOKI-IRXDYDNUSA-N 1 3 303.450 2.155 20 0 DEADHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cc2c(s1)CCNC2 ZINC000662450218 425654579 /nfs/dbraw/zinc/65/45/79/425654579.db2.gz LBJIYICESSXDTJ-STQMWFEESA-N 1 3 321.490 2.387 20 0 DEADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C[C@H]1NCc2ccccc21 ZINC000662462061 425657022 /nfs/dbraw/zinc/65/70/22/425657022.db2.gz GKVGUVAQOQVKRG-NVXWUHKLSA-N 1 3 301.434 2.212 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000662492471 425665963 /nfs/dbraw/zinc/66/59/63/425665963.db2.gz LLJGFRXIRSPXGZ-OIISXLGYSA-N 1 3 303.450 2.154 20 0 DEADHO C[NH+](C)CCC1CCN([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)CC1 ZINC000659852919 425670120 /nfs/dbraw/zinc/67/01/20/425670120.db2.gz QXYUQCMWIMIIBG-GVDBMIGSSA-N 1 3 307.482 2.097 20 0 DEADHO C[NH+](C)[C@H]1CCCN(C(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662532551 425675487 /nfs/dbraw/zinc/67/54/87/425675487.db2.gz CLPUGBLFBSGXEU-DOTOQJQBSA-N 1 3 301.434 2.164 20 0 DEADHO CC[C@H](CC(F)F)C[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000662283491 425612114 /nfs/dbraw/zinc/61/21/14/425612114.db2.gz UECUEGJPCJANTL-DGCLKSJQSA-N 1 3 301.385 2.055 20 0 DEADHO CC[C@H](CC(F)F)C[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000662283491 425612117 /nfs/dbraw/zinc/61/21/17/425612117.db2.gz UECUEGJPCJANTL-DGCLKSJQSA-N 1 3 301.385 2.055 20 0 DEADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3cc(C4CC4)no3)C2)C1 ZINC000662283712 425614110 /nfs/dbraw/zinc/61/41/10/425614110.db2.gz CRRYFDHZMRZKCQ-JJRVBVJISA-N 1 3 305.422 2.270 20 0 DEADHO CCC(CC)NC(=O)[C@@H](C)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290853 425614553 /nfs/dbraw/zinc/61/45/53/425614553.db2.gz LYWZUKGISHKOFK-ZBFHGGJFSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290455 425614817 /nfs/dbraw/zinc/61/48/17/425614817.db2.gz VFRQFQDIDXWSPG-JZXOWHBKSA-N 1 3 321.509 2.488 20 0 DEADHO CC1(C)C[N@H+](C[C@H]2CCC3(CNC3)O2)CCc2ccccc21 ZINC000662298278 425618142 /nfs/dbraw/zinc/61/81/42/425618142.db2.gz AYPOIQOYQNROEE-MRXNPFEDSA-N 1 3 300.446 2.343 20 0 DEADHO CC1(C)C[N@@H+](C[C@H]2CCC3(CNC3)O2)CCc2ccccc21 ZINC000662298278 425618143 /nfs/dbraw/zinc/61/81/43/425618143.db2.gz AYPOIQOYQNROEE-MRXNPFEDSA-N 1 3 300.446 2.343 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN2CCCC[C@H]2[C@@H](C)CO)cc1 ZINC000662301779 425618641 /nfs/dbraw/zinc/61/86/41/425618641.db2.gz UGTSXKYNDPXRQC-LESCRADOSA-N 1 3 306.450 2.220 20 0 DEADHO CC1CCN(CCC[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000655682248 425627182 /nfs/dbraw/zinc/62/71/82/425627182.db2.gz CERXEPJSMYDOKS-IBGZPJMESA-N 1 3 323.525 2.341 20 0 DEADHO CC[C@H](C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)N1CCCC1 ZINC000655688045 425630042 /nfs/dbraw/zinc/63/00/42/425630042.db2.gz HPWFGACIQQBFJC-MSOLQXFVSA-N 1 3 309.498 2.094 20 0 DEADHO CC[C@@H]1CCCCN1CC[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000655712896 425634205 /nfs/dbraw/zinc/63/42/05/425634205.db2.gz UOPYJXIFXFVPMG-MSOLQXFVSA-N 1 3 309.498 2.094 20 0 DEADHO CN(C)CC[C@@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)C(C)(C)C ZINC000655715165 425636729 /nfs/dbraw/zinc/63/67/29/425636729.db2.gz IHPPPODWUOANAI-DLBZAZTESA-N 1 3 311.514 2.196 20 0 DEADHO CC[C@@H](NC)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000662377574 425637594 /nfs/dbraw/zinc/63/75/94/425637594.db2.gz LIVKZBJVCDFLAA-MRXNPFEDSA-N 1 3 307.438 2.344 20 0 DEADHO C[C@H]1CCC[N@H+](CCNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662386709 425639204 /nfs/dbraw/zinc/63/92/04/425639204.db2.gz FOUBHXYULBUDQU-YOEHRIQHSA-N 1 3 301.434 2.069 20 0 DEADHO C[C@H]1CCC[N@@H+](CCNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662386709 425639208 /nfs/dbraw/zinc/63/92/08/425639208.db2.gz FOUBHXYULBUDQU-YOEHRIQHSA-N 1 3 301.434 2.069 20 0 DEADHO CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000662397241 425641765 /nfs/dbraw/zinc/64/17/65/425641765.db2.gz AJFANCQHZVUSIL-ROUUACIJSA-N 1 3 319.493 2.287 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)C1CC(C)(C)C1 ZINC000665763890 425642000 /nfs/dbraw/zinc/64/20/00/425642000.db2.gz OCMVAZGRNZPPRM-AWEZNQCLSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)C1CC(C)(C)C1 ZINC000665763890 425642003 /nfs/dbraw/zinc/64/20/03/425642003.db2.gz OCMVAZGRNZPPRM-AWEZNQCLSA-N 1 3 312.502 2.088 20 0 DEADHO NC1(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC2(CCC2)C1 ZINC000662804319 425740232 /nfs/dbraw/zinc/74/02/32/425740232.db2.gz DMUHADIGKWMILS-ZBFHGGJFSA-N 1 3 317.477 2.123 20 0 DEADHO NC1(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC2(CCC2)C1 ZINC000662804319 425740234 /nfs/dbraw/zinc/74/02/34/425740234.db2.gz DMUHADIGKWMILS-ZBFHGGJFSA-N 1 3 317.477 2.123 20 0 DEADHO N[C@@H](CC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)c1ccccc1 ZINC000662587583 425687700 /nfs/dbraw/zinc/68/77/00/425687700.db2.gz HYTXAONHZYIDGQ-ROUUACIJSA-N 1 3 315.461 2.315 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CNCc3ccccc32)C1 ZINC000662592217 425688549 /nfs/dbraw/zinc/68/85/49/425688549.db2.gz IEMDVGREDJVSEA-YOEHRIQHSA-N 1 3 315.461 2.110 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2CNCc3ccccc32)C1 ZINC000662592217 425688554 /nfs/dbraw/zinc/68/85/54/425688554.db2.gz IEMDVGREDJVSEA-YOEHRIQHSA-N 1 3 315.461 2.110 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662834708 425743869 /nfs/dbraw/zinc/74/38/69/425743869.db2.gz JFSVYDQWBHXPGF-SQNIBIBYSA-N 1 3 313.445 2.354 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662834708 425743871 /nfs/dbraw/zinc/74/38/71/425743871.db2.gz JFSVYDQWBHXPGF-SQNIBIBYSA-N 1 3 313.445 2.354 20 0 DEADHO O[C@H](CN[C@@H]1CCc2cccc(Cl)c2C1)C[NH+]1CCCC1 ZINC000666084876 425697747 /nfs/dbraw/zinc/69/77/47/425697747.db2.gz ONYBSTORIBCBTM-HUUCEWRRSA-N 1 3 308.853 2.244 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000662658173 425704996 /nfs/dbraw/zinc/70/49/96/425704996.db2.gz BWHZUECJGVKLQH-SZMVWBNQSA-N 1 3 317.477 2.135 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000662658173 425705000 /nfs/dbraw/zinc/70/50/00/425705000.db2.gz BWHZUECJGVKLQH-SZMVWBNQSA-N 1 3 317.477 2.135 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000662658151 425705136 /nfs/dbraw/zinc/70/51/36/425705136.db2.gz BTQALDQCAXAQAW-SJLPKXTDSA-N 1 3 317.477 2.150 20 0 DEADHO CC1CCN([C@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2)c2ccccc2)CC1 ZINC000662691116 425713351 /nfs/dbraw/zinc/71/33/51/425713351.db2.gz GEVGBQJWGYTYEK-KZNAEPCWSA-N 1 3 315.461 2.313 20 0 DEADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc2c(c1)CNC2 ZINC000662693836 425714671 /nfs/dbraw/zinc/71/46/71/425714671.db2.gz LYPDDHRKELHKQA-CQSZACIVSA-N 1 3 301.434 2.140 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2[NH2+]CCC2(C)C)C1 ZINC000662696874 425715249 /nfs/dbraw/zinc/71/52/49/425715249.db2.gz XSHWVQVWEYOSDH-OIISXLGYSA-N 1 3 315.461 2.326 20 0 DEADHO C[C@H](N[C@@H]1CCN(c2ccc(F)cc2)C1=O)C1CC[NH+](C)CC1 ZINC000666230607 425721804 /nfs/dbraw/zinc/72/18/04/425721804.db2.gz ZGWJSHZLVQTEDP-SUMWQHHRSA-N 1 3 319.424 2.251 20 0 DEADHO Cc1ccc(NC(=O)c2cc(C(C)(C)N)no2)c(C[NH+](C)C)c1 ZINC000662734785 425725240 /nfs/dbraw/zinc/72/52/40/425725240.db2.gz JZUJURMFTXSJQG-UHFFFAOYSA-N 1 3 316.405 2.491 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c(s2)CCNC3)C[C@H]1C ZINC000662743624 425727060 /nfs/dbraw/zinc/72/70/60/425727060.db2.gz RIXBEXORPXHWFM-OCCSQVGLSA-N 1 3 321.490 2.339 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc3c(s2)CCNC3)C[C@H]1C ZINC000662743624 425727064 /nfs/dbraw/zinc/72/70/64/425727064.db2.gz RIXBEXORPXHWFM-OCCSQVGLSA-N 1 3 321.490 2.339 20 0 DEADHO COc1ccc([C@H](CN[C@@H]2CCC[C@H]([NH3+])C2)N(C)C)cc1OC ZINC000656198336 425729433 /nfs/dbraw/zinc/72/94/33/425729433.db2.gz QKKVNUTVLTXTLR-XHSDSOJGSA-N 1 3 321.465 2.166 20 0 DEADHO COCC1(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000656200309 425729845 /nfs/dbraw/zinc/72/98/45/425729845.db2.gz LKEILSRDWCFIKL-QAPCUYQASA-N 1 3 302.418 2.259 20 0 DEADHO CC[C@H](CC(F)F)CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000660074801 425730383 /nfs/dbraw/zinc/73/03/83/425730383.db2.gz QLAHSENJVHTBFH-HUUCEWRRSA-N 1 3 303.441 2.380 20 0 DEADHO CC[C@H](CC(F)F)CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000660074801 425730386 /nfs/dbraw/zinc/73/03/86/425730386.db2.gz QLAHSENJVHTBFH-HUUCEWRRSA-N 1 3 303.441 2.380 20 0 DEADHO N[C@H](CC(=O)NCC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000662973115 425768485 /nfs/dbraw/zinc/76/84/85/425768485.db2.gz WMVDTOCXYMNWGJ-GOSISDBHSA-N 1 3 315.461 2.315 20 0 DEADHO N[C@@H](CC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000663004878 425775716 /nfs/dbraw/zinc/77/57/16/425775716.db2.gz SHXMIZPYDZDNHT-AEFFLSMTSA-N 1 3 315.461 2.315 20 0 DEADHO N[C@@H](CC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000663004878 425775719 /nfs/dbraw/zinc/77/57/19/425775719.db2.gz SHXMIZPYDZDNHT-AEFFLSMTSA-N 1 3 315.461 2.315 20 0 DEADHO Cc1ncc2c(n1)CC[C@@H]([NH2+]C1CCN(c3ccncc3)CC1)C2 ZINC000656474898 425778406 /nfs/dbraw/zinc/77/84/06/425778406.db2.gz XTICWKHIQBQEFK-QGZVFWFLSA-N 1 3 323.444 2.296 20 0 DEADHO CC(C)N1CCN(C2CC[NH+]([C@@H]3CCO[C@H](C)C3)CC2)CC1 ZINC000660149862 425753083 /nfs/dbraw/zinc/75/30/83/425753083.db2.gz GAXONTUXJZRPDR-SJLPKXTDSA-N 1 3 309.498 2.044 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC[C@@H](N3CCOCC3)CC2)C1 ZINC000660476152 425819965 /nfs/dbraw/zinc/81/99/65/425819965.db2.gz XCJHKVMUJIBRNN-CEXWTWQISA-N 1 3 323.525 2.151 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC[C@@H](N3CCOCC3)CC2)C1 ZINC000660476152 425819967 /nfs/dbraw/zinc/81/99/67/425819967.db2.gz XCJHKVMUJIBRNN-CEXWTWQISA-N 1 3 323.525 2.151 20 0 DEADHO COc1cc2[nH+]ccc(N3CCNC[C@@](C)(F)C3)c2cc1OC ZINC000663243391 425821543 /nfs/dbraw/zinc/82/15/43/425821543.db2.gz ZXVQHJSDGIHPAH-QGZVFWFLSA-N 1 3 319.380 2.390 20 0 DEADHO CSCC[C@@H](CO)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000358307078 269042022 /nfs/dbraw/zinc/04/20/22/269042022.db2.gz UTBNQDJWCWFNMC-HNNXBMFYSA-N 1 3 300.512 2.487 20 0 DEADHO C[C@@H]1C[C@@H](C)N(CCC(=O)Nc2cccc(F)c2)C[C@@H]1C[NH3+] ZINC000397433971 269106415 /nfs/dbraw/zinc/10/64/15/269106415.db2.gz BDCHTQWDWGWLFC-MCIONIFRSA-N 1 3 307.413 2.460 20 0 DEADHO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2cccc(F)c2)C[C@@H]1CN ZINC000397433971 269106416 /nfs/dbraw/zinc/10/64/16/269106416.db2.gz BDCHTQWDWGWLFC-MCIONIFRSA-N 1 3 307.413 2.460 20 0 DEADHO C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2cccc(F)c2)C[C@@H]1CN ZINC000397433971 269106417 /nfs/dbraw/zinc/10/64/17/269106417.db2.gz BDCHTQWDWGWLFC-MCIONIFRSA-N 1 3 307.413 2.460 20 0 DEADHO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCCN2CCCC2)C1 ZINC000495565434 269155507 /nfs/dbraw/zinc/15/55/07/269155507.db2.gz MHIYPCVXWSSXHD-JKSUJKDBSA-N 1 3 311.470 2.319 20 0 DEADHO CN1CC[C@]2(CC[N@H+](CC(C)(C)NC(=O)OC(C)(C)C)C2)C1 ZINC000496471545 269221377 /nfs/dbraw/zinc/22/13/77/269221377.db2.gz LWIVQAZUSNDRBN-KRWDZBQOSA-N 1 3 311.470 2.317 20 0 DEADHO CN1CC[C@]2(CC[N@@H+](CC(C)(C)NC(=O)OC(C)(C)C)C2)C1 ZINC000496471545 269221379 /nfs/dbraw/zinc/22/13/79/269221379.db2.gz LWIVQAZUSNDRBN-KRWDZBQOSA-N 1 3 311.470 2.317 20 0 DEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@H](COC(N)=O)Cc1ccccc1 ZINC000496759642 269249211 /nfs/dbraw/zinc/24/92/11/269249211.db2.gz OOTYFYXBMLNXLE-KBMXLJTQSA-N 1 3 305.422 2.037 20 0 DEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@H](COC(N)=O)Cc1ccccc1 ZINC000496759642 269249213 /nfs/dbraw/zinc/24/92/13/269249213.db2.gz OOTYFYXBMLNXLE-KBMXLJTQSA-N 1 3 305.422 2.037 20 0 DEADHO CC[C@@H](N[C@H](C[NH3+])C1CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497139110 269290543 /nfs/dbraw/zinc/29/05/43/269290543.db2.gz XMSKVLBIOZMWTM-RBSFLKMASA-N 1 3 311.470 2.491 20 0 DEADHO CC(C)COC(=O)N1CCC([NH2+][C@@H](C)[C@H]2CCCNC2)CC1 ZINC000497208427 269294231 /nfs/dbraw/zinc/29/42/31/269294231.db2.gz KFDWFHQEIFXYNB-GJZGRUSLSA-N 1 3 311.470 2.221 20 0 DEADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@H](N)c1ccccc1 ZINC000515073092 269343128 /nfs/dbraw/zinc/34/31/28/269343128.db2.gz FIMNDBLUKGFGIH-WBVHZDCISA-N 1 3 318.465 2.106 20 0 DEADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)COc1ccccc1 ZINC000516643011 269366821 /nfs/dbraw/zinc/36/68/21/269366821.db2.gz SVSJUDXVDVFTOI-QXCFHYIPSA-N 1 3 318.461 2.327 20 0 DEADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(Cl)cn1 ZINC000516885677 269371320 /nfs/dbraw/zinc/37/13/20/269371320.db2.gz QOKAMDGMKZXRJH-UHFFFAOYSA-N 1 3 310.873 2.193 20 0 DEADHO CC(C)(C)N1C[C@H]([NH2+]C2CCN(c3ccncc3)CC2)CC1=O ZINC000297824951 275514729 /nfs/dbraw/zinc/51/47/29/275514729.db2.gz ZFWHIDBSIAOYBE-OAHLLOKOSA-N 1 3 316.449 2.039 20 0 DEADHO CCC[C@@](C)([NH3+])C(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000430742710 276034917 /nfs/dbraw/zinc/03/49/17/276034917.db2.gz YCCCEMZCXWQGFL-PKOBYXMFSA-N 1 3 317.477 2.457 20 0 DEADHO CCC[C@@](C)([NH3+])C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000262303343 276034980 /nfs/dbraw/zinc/03/49/80/276034980.db2.gz LLGCKNNWIJNTFK-FUHWJXTLSA-N 1 3 305.466 2.485 20 0 DEADHO CC[N@H+](CCNC(=O)[C@H]1CCCCN1C1CCCC1)C1CC1 ZINC000431801716 276129812 /nfs/dbraw/zinc/12/98/12/276129812.db2.gz PKENNWQIXQXJSF-QGZVFWFLSA-N 1 3 307.482 2.384 20 0 DEADHO CC[N@@H+](CCNC(=O)[C@H]1CCCCN1C1CCCC1)C1CC1 ZINC000431801716 276129814 /nfs/dbraw/zinc/12/98/14/276129814.db2.gz PKENNWQIXQXJSF-QGZVFWFLSA-N 1 3 307.482 2.384 20 0 DEADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC000370047732 276347827 /nfs/dbraw/zinc/34/78/27/276347827.db2.gz ZYVUOWLJJYWSQY-OAHLLOKOSA-N 1 3 307.482 2.242 20 0 DEADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC000370047732 276347828 /nfs/dbraw/zinc/34/78/28/276347828.db2.gz ZYVUOWLJJYWSQY-OAHLLOKOSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)(C)[C@H](N)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424218857 277248642 /nfs/dbraw/zinc/24/86/42/277248642.db2.gz XMBASBLGAGXCQO-GVDBMIGSSA-N 1 3 315.461 2.093 20 0 DEADHO CC(C)(C)[C@H](N)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424218857 277248643 /nfs/dbraw/zinc/24/86/43/277248643.db2.gz XMBASBLGAGXCQO-GVDBMIGSSA-N 1 3 315.461 2.093 20 0 DEADHO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453242244 277249400 /nfs/dbraw/zinc/24/94/00/277249400.db2.gz PXIZWSFGSISKOD-DZJNRPSUSA-N 1 3 315.461 2.154 20 0 DEADHO CC(C)(CNC(=O)NC[C@H](N)c1ccccc1)C[NH+]1CCCC1 ZINC000418069617 277301030 /nfs/dbraw/zinc/30/10/30/277301030.db2.gz SIOPMTHAYJZOAV-INIZCTEOSA-N 1 3 318.465 2.108 20 0 DEADHO C[C@H](C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)N1CCCCCC1 ZINC000357819526 278151959 /nfs/dbraw/zinc/15/19/59/278151959.db2.gz DBAJZOLSNWTVMF-IXDOHACOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)N1CCCCCC1 ZINC000357819526 278151960 /nfs/dbraw/zinc/15/19/60/278151960.db2.gz DBAJZOLSNWTVMF-IXDOHACOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](CNC(=O)Nc1cccc(CN(C)C)c1)[N@H+](C)C1CC1 ZINC000170794126 278278457 /nfs/dbraw/zinc/27/84/57/278278457.db2.gz BRGNAJOZJPMXEE-ZDUSSCGKSA-N 1 3 304.438 2.352 20 0 DEADHO C[C@@H](CNC(=O)Nc1cccc(CN(C)C)c1)[N@@H+](C)C1CC1 ZINC000170794126 278278459 /nfs/dbraw/zinc/27/84/59/278278459.db2.gz BRGNAJOZJPMXEE-ZDUSSCGKSA-N 1 3 304.438 2.352 20 0 DEADHO C[C@H]1CCCC[C@@H]1C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414479301 278335072 /nfs/dbraw/zinc/33/50/72/278335072.db2.gz HGIAGVWWCKOIAN-ZWKOTPCHSA-N 1 3 323.525 2.199 20 0 DEADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCN2CCCOCC2)CC1 ZINC000368050963 278335568 /nfs/dbraw/zinc/33/55/68/278335568.db2.gz IZFLDFYGFXQRCF-HKUYNNGSSA-N 1 3 323.525 2.341 20 0 DEADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000340896247 288087373 /nfs/dbraw/zinc/08/73/73/288087373.db2.gz IVWLMPICQOPGNM-BPQIPLTHSA-N 1 3 315.461 2.137 20 0 DEADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000340896247 288087374 /nfs/dbraw/zinc/08/73/74/288087374.db2.gz IVWLMPICQOPGNM-BPQIPLTHSA-N 1 3 315.461 2.137 20 0 DEADHO CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000426087124 279092075 /nfs/dbraw/zinc/09/20/75/279092075.db2.gz COKJMEOBGAXFSH-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO CCN(CCC[NH+](CC)CC)C(=O)C1CCN(C2CC2)CC1 ZINC000357095895 279092857 /nfs/dbraw/zinc/09/28/57/279092857.db2.gz APNINZVPBIJOGA-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(C(C)=O)CC1 ZINC000344824572 279120612 /nfs/dbraw/zinc/12/06/12/279120612.db2.gz MTNAVEJNQSGSOO-WMZOPIPTSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+](Cc1ccc(C(=O)N2CCNC(C)(C)C2)cc1)C1CC1 ZINC000357339485 279234622 /nfs/dbraw/zinc/23/46/22/279234622.db2.gz GSECWDYLXYKGES-UHFFFAOYSA-N 1 3 315.461 2.495 20 0 DEADHO CC[N@@H+](Cc1ccc(C(=O)N2CCNC(C)(C)C2)cc1)C1CC1 ZINC000357339485 279234624 /nfs/dbraw/zinc/23/46/24/279234624.db2.gz GSECWDYLXYKGES-UHFFFAOYSA-N 1 3 315.461 2.495 20 0 DEADHO CCN1CCC(NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000105084321 279260287 /nfs/dbraw/zinc/26/02/87/279260287.db2.gz OAZHAWRZYRYCQB-QGZVFWFLSA-N 1 3 322.497 2.131 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000358245429 279271627 /nfs/dbraw/zinc/27/16/27/279271627.db2.gz GGWCHSUJWSYHJD-MRXNPFEDSA-N 1 3 324.513 2.282 20 0 DEADHO CC(C)N(C(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)C1CCCC1 ZINC000420330613 279278836 /nfs/dbraw/zinc/27/88/36/279278836.db2.gz QFOAQGMOKITETE-IAGOWNOFSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000491006025 279376927 /nfs/dbraw/zinc/37/69/27/279376927.db2.gz RVGLYOAETRJBQM-LUKYLMHMSA-N 1 3 324.513 2.087 20 0 DEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000491006025 279376929 /nfs/dbraw/zinc/37/69/29/279376929.db2.gz RVGLYOAETRJBQM-LUKYLMHMSA-N 1 3 324.513 2.087 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC23CCOCC3)C[C@H](C)O1 ZINC000367064157 288160515 /nfs/dbraw/zinc/16/05/15/288160515.db2.gz BSWFKLIXNOVSRL-IXDOHACOSA-N 1 3 310.482 2.425 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000353466488 280571198 /nfs/dbraw/zinc/57/11/98/280571198.db2.gz HEWWLLWZUQQLFJ-OKZBNKHCSA-N 1 3 315.461 2.328 20 0 DEADHO CN(C)C1(CNC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CCC1 ZINC000418054077 282031687 /nfs/dbraw/zinc/03/16/87/282031687.db2.gz DRNAKKUGTWOCTC-CVEARBPZSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H]1[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCCN1C ZINC000345327086 289057841 /nfs/dbraw/zinc/05/78/41/289057841.db2.gz STNWTRJOMJYHQO-BFYDXBDKSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCCN1C ZINC000345327086 289057846 /nfs/dbraw/zinc/05/78/46/289057846.db2.gz STNWTRJOMJYHQO-BFYDXBDKSA-N 1 3 307.482 2.240 20 0 DEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C1CC[NH+](C)CC1 ZINC000266177310 289144996 /nfs/dbraw/zinc/14/49/96/289144996.db2.gz UJDINOGDICTVMW-UHFFFAOYSA-N 1 3 321.440 2.058 20 0 DEADHO C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CCCO1 ZINC000422829159 290031942 /nfs/dbraw/zinc/03/19/42/290031942.db2.gz HFVGIISJBJYXNZ-ZDRJDWQYSA-N 1 3 302.418 2.399 20 0 DEADHO C[C@H]([C@H](C)NC1CC[NH+](C2CCCCC2)CC1)N1CCOCC1 ZINC000133967460 290206894 /nfs/dbraw/zinc/20/68/94/290206894.db2.gz DCQUGXKLUYZJGK-DLBZAZTESA-N 1 3 323.525 2.482 20 0 DEADHO C[C@H]([C@H](C)[NH2+]C1CCN(C2CCCCC2)CC1)N1CCOCC1 ZINC000133967460 290206897 /nfs/dbraw/zinc/20/68/97/290206897.db2.gz DCQUGXKLUYZJGK-DLBZAZTESA-N 1 3 323.525 2.482 20 0 DEADHO C[C@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CC[C@H](C(N)=O)C2)CC1 ZINC000449746323 290401360 /nfs/dbraw/zinc/40/13/60/290401360.db2.gz RHYHBXVRFKIMFD-DIECFANBSA-N 1 3 307.482 2.273 20 0 DEADHO COc1cc(OC)c(C[C@H](C)N[C@H](C)C[C@H](C)[NH3+])c(OC)c1 ZINC000423163971 295006626 /nfs/dbraw/zinc/00/66/26/295006626.db2.gz WFSFSFVEYFCJMP-XQQFMLRXSA-N 1 3 310.438 2.359 20 0 DEADHO COc1cc(OC)c(C[C@H](C)[NH2+][C@H](C)C[C@H](C)N)c(OC)c1 ZINC000423163971 295006630 /nfs/dbraw/zinc/00/66/30/295006630.db2.gz WFSFSFVEYFCJMP-XQQFMLRXSA-N 1 3 310.438 2.359 20 0 DEADHO COc1ccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)N)CCC2)cc1 ZINC000423035607 295113538 /nfs/dbraw/zinc/11/35/38/295113538.db2.gz RZNMCMINDGWIBU-FHLIZLRMSA-N 1 3 318.461 2.459 20 0 DEADHO COc1ccc(C2(CN[C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])CCC2)cc1 ZINC000423035607 295113540 /nfs/dbraw/zinc/11/35/40/295113540.db2.gz RZNMCMINDGWIBU-FHLIZLRMSA-N 1 3 318.461 2.459 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262539436 295330116 /nfs/dbraw/zinc/33/01/16/295330116.db2.gz QWIOQQVQIVIDIN-IAGOWNOFSA-N 1 3 307.482 2.371 20 0 DEADHO C[C@@]1(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC[NH2+]C1 ZINC000163620757 297869846 /nfs/dbraw/zinc/86/98/46/297869846.db2.gz KQWARAFUKVXYLI-CZUORRHYSA-N 1 3 307.463 2.001 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC(C)(C)C[NH3+])N(C)C ZINC000418189409 302200751 /nfs/dbraw/zinc/20/07/51/302200751.db2.gz VLSZJTRXORLFEA-HIFRSBDPSA-N 1 3 306.454 2.023 20 0 DEADHO [NH3+]CC1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000430604447 303371592 /nfs/dbraw/zinc/37/15/92/303371592.db2.gz NFAYXVZECMGITF-SFHVURJKSA-N 1 3 315.461 2.411 20 0 DEADHO N[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CCC1 ZINC000423403034 303477001 /nfs/dbraw/zinc/47/70/01/303477001.db2.gz XYQHGCIQPZFYSP-RDJZCZTQSA-N 1 3 307.482 2.228 20 0 DEADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CCCC[NH3+] ZINC000567819256 325864936 /nfs/dbraw/zinc/86/49/36/325864936.db2.gz BOCIOMAUDAYGDS-UHFFFAOYSA-N 1 3 311.857 2.359 20 0 DEADHO C[N@H+](C[C@H](O)CNCCSCc1ccccc1F)C1CC1 ZINC000574312372 326142820 /nfs/dbraw/zinc/14/28/20/326142820.db2.gz INPKUSKDMRZABE-OAHLLOKOSA-N 1 3 312.454 2.104 20 0 DEADHO C[N@@H+](C[C@H](O)CNCCSCc1ccccc1F)C1CC1 ZINC000574312372 326142822 /nfs/dbraw/zinc/14/28/22/326142822.db2.gz INPKUSKDMRZABE-OAHLLOKOSA-N 1 3 312.454 2.104 20 0 DEADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]1CCCCN1CC ZINC000575179714 326225860 /nfs/dbraw/zinc/22/58/60/326225860.db2.gz KHHGFSQQCZWNNO-SJORKVTESA-N 1 3 303.450 2.239 20 0 DEADHO Cc1cc(C)cc(OC[C@H](O)CNC2CC[NH+](C3CC3)CC2)c1 ZINC000575861658 326251261 /nfs/dbraw/zinc/25/12/61/326251261.db2.gz FDONDDZVIRUHMG-GOSISDBHSA-N 1 3 318.461 2.260 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCC[C@H](C[NH3+])C1)c1ccco1 ZINC000576331160 326285941 /nfs/dbraw/zinc/28/59/41/326285941.db2.gz QHCTXLVIPKPHHV-ZNMIVQPWSA-N 1 3 322.453 2.089 20 0 DEADHO C[C@H](NC(=O)N1CCC[C@H](C[NH3+])C1)[C@@H](c1ccccc1)N(C)C ZINC000577208108 326350246 /nfs/dbraw/zinc/35/02/46/326350246.db2.gz ISAWZEMSHUJYEI-UXLLHSPISA-N 1 3 318.465 2.058 20 0 DEADHO CN(C)CCN(Cc1ccsc1)C(=O)CCCC[NH+](C)C ZINC000582590958 337110771 /nfs/dbraw/zinc/11/07/71/337110771.db2.gz SFSCYTKIASIXRP-UHFFFAOYSA-N 1 3 311.495 2.370 20 0 DEADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000584527427 337356025 /nfs/dbraw/zinc/35/60/25/337356025.db2.gz LWSJCOQKBAMVDQ-BBRMVZONSA-N 1 3 321.490 2.074 20 0 DEADHO O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@H]1CNCc2ccccc21 ZINC000577868396 341945107 /nfs/dbraw/zinc/94/51/07/341945107.db2.gz QKSTWADAXXTKSY-SFHVURJKSA-N 1 3 307.397 2.158 20 0 DEADHO Cc1cc(F)ccc1C[N@@H+](C)[C@@H](C)CNC(=O)CN(C)C(C)C ZINC001378240363 1152244660 /nfs/dbraw/zinc/24/46/60/1152244660.db2.gz UUBKDSSNKCSGPG-HNNXBMFYSA-N 1 3 323.456 2.411 20 0 DEADHO Cc1cc(F)ccc1C[N@H+](C)[C@@H](C)CNC(=O)CN(C)C(C)C ZINC001378240363 1152244662 /nfs/dbraw/zinc/24/46/62/1152244662.db2.gz UUBKDSSNKCSGPG-HNNXBMFYSA-N 1 3 323.456 2.411 20 0 DEADHO CC(C)C[NH2+][C@@H](CCN(C)C(=O)CN1CC[C@H](C)C1)C(C)C ZINC001378371239 1152308082 /nfs/dbraw/zinc/30/80/82/1152308082.db2.gz AWUYLXLBEPXWHK-IRXDYDNUSA-N 1 3 311.514 2.447 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CCCC2CCC2)C1)N(C)C ZINC001377468375 1160396013 /nfs/dbraw/zinc/39/60/13/1160396013.db2.gz MCWBGWNANRJNMS-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCCC2CCC2)C1)N(C)C ZINC001377468375 1160396021 /nfs/dbraw/zinc/39/60/21/1160396021.db2.gz MCWBGWNANRJNMS-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CCC(CC)C[NH+]1CC([C@@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001378538724 1152367791 /nfs/dbraw/zinc/36/77/91/1152367791.db2.gz YJITUCNGWRVVLL-CQSZACIVSA-N 1 3 309.498 2.343 20 0 DEADHO CCCC[N@H+](C)[C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001378145676 1161054399 /nfs/dbraw/zinc/05/43/99/1161054399.db2.gz RDAOUHLANRALEW-RHSMWYFYSA-N 1 3 315.477 2.436 20 0 DEADHO CCCC[N@@H+](C)[C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001378145676 1161054408 /nfs/dbraw/zinc/05/44/08/1161054408.db2.gz RDAOUHLANRALEW-RHSMWYFYSA-N 1 3 315.477 2.436 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)c2ccccc2CN(C)C)CC[N@@H+]1CC1CC1 ZINC001089060390 782141827 /nfs/dbraw/zinc/14/18/27/782141827.db2.gz JKQLKJAUTFRCES-KDOFPFPSSA-N 1 3 315.461 2.351 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)c2ccccc2CN(C)C)CC[N@H+]1CC1CC1 ZINC001089060390 782141830 /nfs/dbraw/zinc/14/18/30/782141830.db2.gz JKQLKJAUTFRCES-KDOFPFPSSA-N 1 3 315.461 2.351 20 0 DEADHO Cc1cc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCN2C)cs1 ZINC001378748826 1152434056 /nfs/dbraw/zinc/43/40/56/1152434056.db2.gz DSFXCBJNNDJJFG-WFASDCNBSA-N 1 3 309.479 2.087 20 0 DEADHO CCc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001378751606 1152434640 /nfs/dbraw/zinc/43/46/40/1152434640.db2.gz ITPARWLPRCVOKL-YJBOKZPZSA-N 1 3 317.477 2.280 20 0 DEADHO Cc1cc(C[N@@H+]2CC[C@@H](CNC(=O)CN(C)C(C)C)C2)cs1 ZINC001399931313 1161610685 /nfs/dbraw/zinc/61/06/85/1161610685.db2.gz JQICUVTVAAMJJF-HNNXBMFYSA-N 1 3 323.506 2.335 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)NCCCC[NH3+])c1ccccc1 ZINC000417708426 533784936 /nfs/dbraw/zinc/78/49/36/533784936.db2.gz RYMOQSZGRKWAMK-AWEZNQCLSA-N 1 3 306.454 2.154 20 0 DEADHO COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)N)cc1 ZINC000423016798 533789176 /nfs/dbraw/zinc/78/91/76/533789176.db2.gz UOPYQZWCHJBUCL-IHETXDGRSA-N 1 3 306.450 2.216 20 0 DEADHO C[C@H](NC1CC1)C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000295585333 533803855 /nfs/dbraw/zinc/80/38/55/533803855.db2.gz BSJCHSGVJIPWFA-ZDUSSCGKSA-N 1 3 305.422 2.096 20 0 DEADHO Cc1ccc(F)c(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCN2C)c1 ZINC001378807820 1152452714 /nfs/dbraw/zinc/45/27/14/1152452714.db2.gz UOEAMWPIUFTYJB-WMLDXEAASA-N 1 3 321.440 2.165 20 0 DEADHO C[C@H]1CSC[C@@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000295871403 534066895 /nfs/dbraw/zinc/06/68/95/534066895.db2.gz XHXGPUXZVNMAFB-KSSFIOAISA-N 1 3 320.502 2.484 20 0 DEADHO C[C@@H](C[NH2+][C@@H](C)c1ccccc1F)N(C)C(=O)CN1CCCC1 ZINC001378853878 1152468821 /nfs/dbraw/zinc/46/88/21/1152468821.db2.gz PKHWNTFUMSUJDX-GJZGRUSLSA-N 1 3 321.440 2.419 20 0 DEADHO C[C@@H]1CN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@@H](C)CN1 ZINC000417813476 534309256 /nfs/dbraw/zinc/30/92/56/534309256.db2.gz RGZPRNSEMJMPNL-CABCVRRESA-N 1 3 322.497 2.175 20 0 DEADHO OC[C@H](NCc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCCO1 ZINC000411661048 534393122 /nfs/dbraw/zinc/39/31/22/534393122.db2.gz UPBPTQPDWHSVTO-OALUTQOASA-N 1 3 318.461 2.302 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]Cc2ccc(Cl)cc2)CC1)N(C)C ZINC001401957739 1162196398 /nfs/dbraw/zinc/19/63/98/1162196398.db2.gz UNHXFJCLSVHXEW-OAHLLOKOSA-N 1 3 323.868 2.419 20 0 DEADHO CC(C)C[NH2+]C1(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001401964124 1162199476 /nfs/dbraw/zinc/19/94/76/1162199476.db2.gz NCYMYIKCBGMKSD-KRWDZBQOSA-N 1 3 313.461 2.093 20 0 DEADHO CN(C(=O)[C@H]1CCC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000246279372 523908537 /nfs/dbraw/zinc/90/85/37/523908537.db2.gz MLKXUWLZROZYBP-ROUUACIJSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@H](CNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)N(C)C1CC1 ZINC000105134816 524411681 /nfs/dbraw/zinc/41/16/81/524411681.db2.gz ANAJNGUSJPUGDP-HZPDHXFCSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H](CNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)N(C)C1CC1 ZINC000105134816 524411693 /nfs/dbraw/zinc/41/16/93/524411693.db2.gz ANAJNGUSJPUGDP-HZPDHXFCSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H]1CCC[C@](CNC(=O)N(C)CCN2CCCC2)([NH+](C)C)C1 ZINC000112745379 524429024 /nfs/dbraw/zinc/42/90/24/524429024.db2.gz DPDSMXJLQWVRIP-AEFFLSMTSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H](CNC(=O)NCCN1CCC[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000338278360 524676198 /nfs/dbraw/zinc/67/61/98/524676198.db2.gz HUFKQSYZIQDYKC-IRXDYDNUSA-N 1 3 324.513 2.138 20 0 DEADHO CSCC[C@H](N)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000158171191 525586802 /nfs/dbraw/zinc/58/68/02/525586802.db2.gz KBNWSZXHILVUBU-INIZCTEOSA-N 1 3 321.490 2.344 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000355635405 534905365 /nfs/dbraw/zinc/90/53/65/534905365.db2.gz KCTFUXPDWZBNRH-JKSUJKDBSA-N 1 3 324.513 2.280 20 0 DEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000355635405 534905372 /nfs/dbraw/zinc/90/53/72/534905372.db2.gz KCTFUXPDWZBNRH-JKSUJKDBSA-N 1 3 324.513 2.280 20 0 DEADHO CC(=O)Nc1cccc(OCCN[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422935475 527075540 /nfs/dbraw/zinc/07/55/40/527075540.db2.gz ANBFVTKWGBOIJJ-WMLDXEAASA-N 1 3 305.422 2.131 20 0 DEADHO CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CCCC[C@H]2CN)c1 ZINC000422935475 527075542 /nfs/dbraw/zinc/07/55/42/527075542.db2.gz ANBFVTKWGBOIJJ-WMLDXEAASA-N 1 3 305.422 2.131 20 0 DEADHO Cc1nccn1CCC[NH+]1CCN(CCc2ccccc2)CC1 ZINC000124781839 527412857 /nfs/dbraw/zinc/41/28/57/527412857.db2.gz FTUYRFQFVRTFQT-UHFFFAOYSA-N 1 3 312.461 2.442 20 0 DEADHO CC(C)(C(=O)NCC1([NH3+])CCCCC1)[C@H](N)c1ccccc1 ZINC000417813362 527517339 /nfs/dbraw/zinc/51/73/39/527517339.db2.gz PQAFQCWZGBPGFZ-OAHLLOKOSA-N 1 3 303.450 2.490 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)CC1 ZINC000428488190 527710871 /nfs/dbraw/zinc/71/08/71/527710871.db2.gz SAPNXSFTRZJFRH-QFBILLFUSA-N 1 3 317.477 2.031 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](O)[C@@H](C)C2)CC1 ZINC000428488190 527710875 /nfs/dbraw/zinc/71/08/75/527710875.db2.gz SAPNXSFTRZJFRH-QFBILLFUSA-N 1 3 317.477 2.031 20 0 DEADHO CCCN(C(=O)NCCN1CCCC[C@@H]1CC)[C@H]1CC[NH2+]C1 ZINC000417709964 527752950 /nfs/dbraw/zinc/75/29/50/527752950.db2.gz XBWZOGALJYMCSR-HOTGVXAUSA-N 1 3 310.486 2.034 20 0 DEADHO CCC[N@H+](CC)CCNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000447951927 527970163 /nfs/dbraw/zinc/97/01/63/527970163.db2.gz DGBIZEGZPCBPHK-HNNXBMFYSA-N 1 3 312.502 2.138 20 0 DEADHO CCC[N@@H+](CC)CCNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000447951927 527970164 /nfs/dbraw/zinc/97/01/64/527970164.db2.gz DGBIZEGZPCBPHK-HNNXBMFYSA-N 1 3 312.502 2.138 20 0 DEADHO CCC[C@H](C)C(=O)NCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423124368 528016415 /nfs/dbraw/zinc/01/64/15/528016415.db2.gz GIUVAJLTFIIVCR-VVLHAWIVSA-N 1 3 309.498 2.439 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000416846491 528237862 /nfs/dbraw/zinc/23/78/62/528237862.db2.gz UFVCURVNLDLABG-SJORKVTESA-N 1 3 318.465 2.202 20 0 DEADHO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000418343346 528304052 /nfs/dbraw/zinc/30/40/52/528304052.db2.gz FPLDAWGQAHLNAO-IRXDYDNUSA-N 1 3 320.481 2.482 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)NC1CCC([NH3+])CC1 ZINC000418247278 528313144 /nfs/dbraw/zinc/31/31/44/528313144.db2.gz ZXMVUZSJDZTUBB-GPANFISMSA-N 1 3 310.486 2.066 20 0 DEADHO CC[NH2+]CCNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000417739997 528314342 /nfs/dbraw/zinc/31/43/42/528314342.db2.gz RFGFGXDMPDWZTK-DZGCQCFKSA-N 1 3 324.494 2.040 20 0 DEADHO CCCCN(C)CCNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000417612965 528342598 /nfs/dbraw/zinc/34/25/98/528342598.db2.gz SBQLDMHMLQTWBV-IRXDYDNUSA-N 1 3 324.513 2.282 20 0 DEADHO CC(C)c1ncc(C[NH2+]CCN2CCN(C)C(C)(C)C2)s1 ZINC000441328586 528351851 /nfs/dbraw/zinc/35/18/51/528351851.db2.gz IJBZABILHKSFEP-UHFFFAOYSA-N 1 3 310.511 2.382 20 0 DEADHO CCC[NH2+]CCNC(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000418481653 528484877 /nfs/dbraw/zinc/48/48/77/528484877.db2.gz UOGYOWSRNNEAHM-UHFFFAOYSA-N 1 3 320.481 2.279 20 0 DEADHO CCC[NH2+]CCNC(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000418174501 528503620 /nfs/dbraw/zinc/50/36/20/528503620.db2.gz FBDGWOYCKFMZOA-NVXWUHKLSA-N 1 3 320.481 2.285 20 0 DEADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](C)CC[NH3+] ZINC000418035352 528989505 /nfs/dbraw/zinc/98/95/05/528989505.db2.gz PDHPWLHJHRLYRR-RDJZCZTQSA-N 1 3 320.481 2.180 20 0 DEADHO CC(C)[C@H](CN[C@H](C)C[C@H]1CCCCC[NH2+]1)N1CCOCC1 ZINC000422801330 529016401 /nfs/dbraw/zinc/01/64/01/529016401.db2.gz FGIGFPDZTGVDJB-KURKYZTESA-N 1 3 311.514 2.244 20 0 DEADHO CC(C)[C@H]([NH3+])CNC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418405516 529061944 /nfs/dbraw/zinc/06/19/44/529061944.db2.gz LFBJYDNKKCYPTJ-SJORKVTESA-N 1 3 314.433 2.122 20 0 DEADHO CCN1CCN(Cc2ccc(N[C@H](C)[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000422922831 529149443 /nfs/dbraw/zinc/14/94/43/529149443.db2.gz QVXQNEREDIJQLD-AEFFLSMTSA-N 1 3 316.493 2.234 20 0 DEADHO CCN1CCN(Cc2ccc(N[C@H]3CCC[C@H]3[NH3+])cc2)CC1 ZINC000422916777 529149467 /nfs/dbraw/zinc/14/94/67/529149467.db2.gz FAVOWTBAFZOAPM-MSOLQXFVSA-N 1 3 302.466 2.116 20 0 DEADHO CCN1CCN(Cc2ccc(N[C@H](C)C[C@@H](C)[NH3+])cc2)CC1 ZINC000422916265 529149595 /nfs/dbraw/zinc/14/95/95/529149595.db2.gz DCYLSDUSLCBUPY-HZPDHXFCSA-N 1 3 304.482 2.362 20 0 DEADHO CCCC[N@H+](C)CC1CCN(CCN2CCOC[C@@H]2C)CC1 ZINC000191455811 535216019 /nfs/dbraw/zinc/21/60/19/535216019.db2.gz KJMOTURBSZNROF-KRWDZBQOSA-N 1 3 311.514 2.151 20 0 DEADHO CCCC[N@@H+](C)CC1CCN(CCN2CCOC[C@@H]2C)CC1 ZINC000191455811 535216020 /nfs/dbraw/zinc/21/60/20/535216020.db2.gz KJMOTURBSZNROF-KRWDZBQOSA-N 1 3 311.514 2.151 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262343577 535503253 /nfs/dbraw/zinc/50/32/53/535503253.db2.gz TUEXQFPGNQKUOF-YKDOHLLJSA-N 1 3 307.482 2.131 20 0 DEADHO CCN1CCCN(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000370722954 535510760 /nfs/dbraw/zinc/51/07/60/535510760.db2.gz QGRUWWGPQRGYSR-QGZVFWFLSA-N 1 3 324.513 2.236 20 0 DEADHO CCN1CCCN(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000370722954 535510765 /nfs/dbraw/zinc/51/07/65/535510765.db2.gz QGRUWWGPQRGYSR-QGZVFWFLSA-N 1 3 324.513 2.236 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+][C@H](C)C[C@@H](C)O)CC1 ZINC000361030494 535754318 /nfs/dbraw/zinc/75/43/18/535754318.db2.gz UMQQRIATPZULSV-HZPDHXFCSA-N 1 3 305.466 2.078 20 0 DEADHO CNC(=O)C[C@H](C)NCc1ccccc1C[NH+]1CCCCC1 ZINC000356076587 536299414 /nfs/dbraw/zinc/29/94/14/536299414.db2.gz JDEYWYZMFUXPCD-HNNXBMFYSA-N 1 3 303.450 2.287 20 0 DEADHO COCC(COC)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000453372180 536799854 /nfs/dbraw/zinc/79/98/54/536799854.db2.gz YXRQLNZYQVCCSE-GGPHIMKMSA-N 1 3 318.461 2.433 20 0 DEADHO COc1cccc(N2CCN(CC[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000261962866 537123298 /nfs/dbraw/zinc/12/32/98/537123298.db2.gz PAMIXDRNJSELBU-MRXNPFEDSA-N 1 3 303.450 2.207 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC1CC(C)(C)C1)N(C)C ZINC001379278197 1152601153 /nfs/dbraw/zinc/60/11/53/1152601153.db2.gz ASDZFBHGWNOLFM-GDBMZVCRSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)C[NH+]1CCC(C2(NC(=O)CN(C)C(C)C)CC2)CC1 ZINC001380186365 1152764653 /nfs/dbraw/zinc/76/46/53/1152764653.db2.gz ZWOBUUIEDVJLJU-UHFFFAOYSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](NCc1cncs1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001381394678 1153037279 /nfs/dbraw/zinc/03/72/79/1153037279.db2.gz DRGVTXGOCSYNAF-STQMWFEESA-N 1 3 324.494 2.000 20 0 DEADHO C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)[N@@H+](C)CCCF ZINC001381585057 1153140845 /nfs/dbraw/zinc/14/08/45/1153140845.db2.gz DLENJDXUIQYCHV-GJZGRUSLSA-N 1 3 301.450 2.047 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)C1C[NH+](CC2CCCC2)C1 ZINC001381783670 1153221120 /nfs/dbraw/zinc/22/11/20/1153221120.db2.gz GPURXCUJKPKOEY-CQSZACIVSA-N 1 3 307.482 2.097 20 0 DEADHO CC1(C)C[C@H]([NH3+])C[C@@H](NCCC(=O)NCc2ccccc2)C1 ZINC000925544032 625295096 /nfs/dbraw/zinc/29/50/96/625295096.db2.gz PRTNDMRNODGUTI-HZPDHXFCSA-N 1 3 303.450 2.189 20 0 DEADHO CCNC(=O)c1ccc(CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925545801 625306844 /nfs/dbraw/zinc/30/68/44/625306844.db2.gz CHGPJPDGLSHMTR-HZPDHXFCSA-N 1 3 303.450 2.432 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC2CCC([NH2+]CC3CCC3)CC2)C1 ZINC001026560637 625523061 /nfs/dbraw/zinc/52/30/61/625523061.db2.gz ABOJDJHVPBUAHE-ODIFPOPNSA-N 1 3 307.482 2.145 20 0 DEADHO CC(=O)OC[C@@H](C)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000892741204 625526682 /nfs/dbraw/zinc/52/66/82/625526682.db2.gz RLRHHQSNOKFOAJ-CRAIPNDOSA-N 1 3 304.434 2.440 20 0 DEADHO CC(=O)OC[C@@H](C)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000892741204 625526687 /nfs/dbraw/zinc/52/66/87/625526687.db2.gz RLRHHQSNOKFOAJ-CRAIPNDOSA-N 1 3 304.434 2.440 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1CN(CC=C(C)C)C1 ZINC000969792802 622923023 /nfs/dbraw/zinc/92/30/23/622923023.db2.gz LPEXLEMFBDAHNE-NVXWUHKLSA-N 1 3 307.482 2.264 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1CN(CC=C(C)C)C1 ZINC000969792802 622923025 /nfs/dbraw/zinc/92/30/25/622923025.db2.gz LPEXLEMFBDAHNE-NVXWUHKLSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)=CCN1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000969829231 622936735 /nfs/dbraw/zinc/93/67/35/622936735.db2.gz AVCALAAXCLKFJM-IAGOWNOFSA-N 1 3 321.509 2.367 20 0 DEADHO CC(C)=CCN1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000969829231 622936736 /nfs/dbraw/zinc/93/67/36/622936736.db2.gz AVCALAAXCLKFJM-IAGOWNOFSA-N 1 3 321.509 2.367 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NC/C=C/Cl)CC2)CC1 ZINC000891203162 623700380 /nfs/dbraw/zinc/70/03/80/623700380.db2.gz PTMSOUWHNSYPOF-FPYGCLRLSA-N 1 3 313.873 2.051 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021606169 623824203 /nfs/dbraw/zinc/82/42/03/623824203.db2.gz PCYNVUFWYOROOC-WMZOPIPTSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021606169 623824210 /nfs/dbraw/zinc/82/42/10/623824210.db2.gz PCYNVUFWYOROOC-WMZOPIPTSA-N 1 3 321.509 2.440 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]2C[N@H+](CCC3CC3)CC[C@@H]21 ZINC001021677166 623943170 /nfs/dbraw/zinc/94/31/70/623943170.db2.gz GLQMFBHIOQTAQB-WBVHZDCISA-N 1 3 316.449 2.065 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]2C[N@@H+](CCC3CC3)CC[C@@H]21 ZINC001021677166 623943176 /nfs/dbraw/zinc/94/31/76/623943176.db2.gz GLQMFBHIOQTAQB-WBVHZDCISA-N 1 3 316.449 2.065 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCC(C)(C)[NH3+])C1 ZINC000891411228 624154053 /nfs/dbraw/zinc/15/40/53/624154053.db2.gz DOXOYNZBYZYGGB-HOCLYGCPSA-N 1 3 318.465 2.249 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(F)cc2)C1)N(C)C ZINC000971779067 624546059 /nfs/dbraw/zinc/54/60/59/624546059.db2.gz QLWVMBJOVJMAOQ-IAGOWNOFSA-N 1 3 321.440 2.199 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(F)cc2)C1)N(C)C ZINC000971779067 624546060 /nfs/dbraw/zinc/54/60/60/624546060.db2.gz QLWVMBJOVJMAOQ-IAGOWNOFSA-N 1 3 321.440 2.199 20 0 DEADHO COc1ccc2nccc(NCC3([NH+](C)C)CCOCC3)c2c1 ZINC000892527683 625101619 /nfs/dbraw/zinc/10/16/19/625101619.db2.gz IMXHNBUWWFMYQZ-UHFFFAOYSA-N 1 3 315.417 2.188 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1)N(C)C ZINC001024999063 625132675 /nfs/dbraw/zinc/13/26/75/625132675.db2.gz QWRBDWCDMHDIKQ-QZTJIDSGSA-N 1 3 317.477 2.498 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCC3)C2)c1 ZINC001023126489 625164452 /nfs/dbraw/zinc/16/44/52/625164452.db2.gz YKWBXRSDDDNKBS-HDICACEKSA-N 1 3 315.461 2.399 20 0 DEADHO CC1(C)CC(C[NH2+]C[C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001025098505 625208051 /nfs/dbraw/zinc/20/80/51/625208051.db2.gz VLLQEJQPVLINGH-MRXNPFEDSA-N 1 3 318.465 2.359 20 0 DEADHO CCC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]12 ZINC001026267850 625240509 /nfs/dbraw/zinc/24/05/09/625240509.db2.gz RGZBBMGOJGOOTM-BRWVUGGUSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCCF ZINC001024468143 625795217 /nfs/dbraw/zinc/79/52/17/625795217.db2.gz IPMHSAGYGLCOHF-HOTGVXAUSA-N 1 3 313.461 2.191 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCCF ZINC001024468143 625795221 /nfs/dbraw/zinc/79/52/21/625795221.db2.gz IPMHSAGYGLCOHF-HOTGVXAUSA-N 1 3 313.461 2.191 20 0 DEADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)c1cccc(F)c1 ZINC001019775869 625833095 /nfs/dbraw/zinc/83/30/95/625833095.db2.gz KGZNUKDGVSGVHM-PBHICJAKSA-N 1 3 319.424 2.173 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CC1 ZINC001024523383 625838455 /nfs/dbraw/zinc/83/84/55/625838455.db2.gz PXJLSWFCVBLQTG-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CC1 ZINC001024523383 625838457 /nfs/dbraw/zinc/83/84/57/625838457.db2.gz PXJLSWFCVBLQTG-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]([NH2+]C1CC(N(C)C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC000999473364 634603172 /nfs/dbraw/zinc/60/31/72/634603172.db2.gz MBOIDGULPFQXOP-KTAKPFMOSA-N 1 3 312.417 2.292 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC001000188575 634783439 /nfs/dbraw/zinc/78/34/39/634783439.db2.gz BNOVTTHPLRQOLF-AEFFLSMTSA-N 1 3 315.461 2.252 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001000195959 634785186 /nfs/dbraw/zinc/78/51/86/634785186.db2.gz BMXYPEHJQBELHH-SJLPKXTDSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCc2ccccc2)C1)N(C)C ZINC001000218976 634798556 /nfs/dbraw/zinc/79/85/56/634798556.db2.gz OCYHAODWDTXXNL-ROUUACIJSA-N 1 3 317.477 2.150 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]CC2CCC2)C(C)(C)C1 ZINC000995790152 633122716 /nfs/dbraw/zinc/12/27/16/633122716.db2.gz AXWTVPSLDFLEKY-SJORKVTESA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)(C(=O)N1C[C@@H](NCCF)C(C)(C)C1)[NH+]1CCCCC1 ZINC000995826733 633124094 /nfs/dbraw/zinc/12/40/94/633124094.db2.gz ZAAYDVPXEJKBPY-CQSZACIVSA-N 1 3 313.461 2.047 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+]CC3CCCC3)C2)CCC1 ZINC001026885377 633241456 /nfs/dbraw/zinc/24/14/56/633241456.db2.gz IWVJZTXDKLECPZ-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](C(C)C)CC1(C)C ZINC000974760416 633284835 /nfs/dbraw/zinc/28/48/35/633284835.db2.gz QZOKZMOYZKDUHF-HZPDHXFCSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](C(C)C)CC1(C)C ZINC000974760416 633284838 /nfs/dbraw/zinc/28/48/38/633284838.db2.gz QZOKZMOYZKDUHF-HZPDHXFCSA-N 1 3 309.498 2.342 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC([NH2+]CC2CCCC2)CC1)C1CC1 ZINC000996678949 633347908 /nfs/dbraw/zinc/34/79/08/633347908.db2.gz OYEVJPDESXZEHV-KRWDZBQOSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001027062758 633384502 /nfs/dbraw/zinc/38/45/02/633384502.db2.gz BFPZXIBOXPKCLW-RDJZCZTQSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001027062925 633384557 /nfs/dbraw/zinc/38/45/57/633384557.db2.gz FGWPKWFRCCBDIX-HOTGVXAUSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001027065174 633386142 /nfs/dbraw/zinc/38/61/42/633386142.db2.gz SCLXJVVHMHOJQC-JKSUJKDBSA-N 1 3 321.509 2.203 20 0 DEADHO O=C(CN1CCCC1)N1CCC([NH2+]CC2CC3(CCC3)C2)CC1 ZINC000997303159 633703580 /nfs/dbraw/zinc/70/35/80/633703580.db2.gz PYBWIPSNBZVQBE-UHFFFAOYSA-N 1 3 319.493 2.243 20 0 DEADHO CCN(C(=O)[C@H]1CCCN1C)[C@H]1CCC[N@H+](CCCF)CC1 ZINC000997947217 634072177 /nfs/dbraw/zinc/07/21/77/634072177.db2.gz ASEQYXSKELUQLJ-JKSUJKDBSA-N 1 3 313.461 2.143 20 0 DEADHO CCN(C(=O)[C@H]1CCCN1C)[C@H]1CCC[N@@H+](CCCF)CC1 ZINC000997947217 634072181 /nfs/dbraw/zinc/07/21/81/634072181.db2.gz ASEQYXSKELUQLJ-JKSUJKDBSA-N 1 3 313.461 2.143 20 0 DEADHO CCN(C(=O)[C@H]1CCCN1C)[C@@H]1CCC[N@H+](CC(C)C)CC1 ZINC000997950790 634075436 /nfs/dbraw/zinc/07/54/36/634075436.db2.gz UJIRIXDYYHXNCK-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CCN(C(=O)[C@H]1CCCN1C)[C@@H]1CCC[N@@H+](CC(C)C)CC1 ZINC000997950790 634075442 /nfs/dbraw/zinc/07/54/42/634075442.db2.gz UJIRIXDYYHXNCK-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO COc1ccc([C@H](CCn2cncn2)NCCC(C)(C)[NH3+])cc1 ZINC000925739351 634320939 /nfs/dbraw/zinc/32/09/39/634320939.db2.gz WFRUEWZKKNXAAK-INIZCTEOSA-N 1 3 317.437 2.135 20 0 DEADHO C[C@@H](c1ccccc1)[N@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406469 634988969 /nfs/dbraw/zinc/98/89/69/634988969.db2.gz PGNIGXSZJUYAFC-WMZOPIPTSA-N 1 3 315.461 2.376 20 0 DEADHO C[C@@H](c1ccccc1)[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406469 634988970 /nfs/dbraw/zinc/98/89/70/634988970.db2.gz PGNIGXSZJUYAFC-WMZOPIPTSA-N 1 3 315.461 2.376 20 0 DEADHO C[C@@H](c1ccccc1)[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406465 634989316 /nfs/dbraw/zinc/98/93/16/634989316.db2.gz PGNIGXSZJUYAFC-FUHWJXTLSA-N 1 3 315.461 2.376 20 0 DEADHO C[C@@H](c1ccccc1)[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406465 634989319 /nfs/dbraw/zinc/98/93/19/634989319.db2.gz PGNIGXSZJUYAFC-FUHWJXTLSA-N 1 3 315.461 2.376 20 0 DEADHO C[C@H]([NH2+][C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001000311570 635142151 /nfs/dbraw/zinc/14/21/51/635142151.db2.gz JLTBOIOKUXRLCR-GOEBONIOSA-N 1 3 312.417 2.294 20 0 DEADHO C[C@H]1C[C@@H](C[NH2+]CC2CC(C)(C)C2)CN1C(=O)CN1CCCC1 ZINC000980798659 635156495 /nfs/dbraw/zinc/15/64/95/635156495.db2.gz CSNRQVVHHOMFRK-HOTGVXAUSA-N 1 3 321.509 2.345 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]([NH2+]CC3CC3)C2)c1 ZINC001000991871 635383126 /nfs/dbraw/zinc/38/31/26/635383126.db2.gz KCWNJYPEMYGBOF-SFHVURJKSA-N 1 3 315.461 2.352 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CCC[N@H+](C[C@@H](C)CC)CC1 ZINC000981282896 635421440 /nfs/dbraw/zinc/42/14/40/635421440.db2.gz JPIRHGBBKCAMJT-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CCC[N@@H+](C[C@@H](C)CC)CC1 ZINC000981282896 635421443 /nfs/dbraw/zinc/42/14/43/635421443.db2.gz JPIRHGBBKCAMJT-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC2CCC2)C1 ZINC000981485708 635500442 /nfs/dbraw/zinc/50/04/42/635500442.db2.gz KJFMZDPZCMRCAH-HUUCEWRRSA-N 1 3 304.438 2.078 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC2CCC2)C1 ZINC000981485710 635500710 /nfs/dbraw/zinc/50/07/10/635500710.db2.gz KJFMZDPZCMRCAH-LSDHHAIUSA-N 1 3 304.438 2.078 20 0 DEADHO CC(C)CC[NH+]1CCC(NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001002791958 635797907 /nfs/dbraw/zinc/79/79/07/635797907.db2.gz KDTVLPWUOAQZLI-QGZVFWFLSA-N 1 3 309.498 2.486 20 0 DEADHO O=C(NC1CCN(C/C=C\Cl)CC1)c1ccn2c[nH+]cc2c1 ZINC001003249822 635928073 /nfs/dbraw/zinc/92/80/73/635928073.db2.gz BFOPBHKFNRFEGS-KTAJNNJTSA-N 1 3 318.808 2.281 20 0 DEADHO CN1CC[C@H]([NH2+]C[C@]2(C(F)(F)F)CCCN2)[C@H]2CCC[C@@H]21 ZINC000925850971 635949334 /nfs/dbraw/zinc/94/93/34/635949334.db2.gz AVHAKZKKEGBUHK-RFGFWPKPSA-N 1 3 305.388 2.133 20 0 DEADHO Cc1cc([C@@H](C)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c(C)o1 ZINC000925854772 635955090 /nfs/dbraw/zinc/95/50/90/635955090.db2.gz SJXKIBXYOBPSGR-TZMCWYRMSA-N 1 3 306.406 2.232 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC1CC[NH+](CCCF)CC1 ZINC001003738179 636042702 /nfs/dbraw/zinc/04/27/02/636042702.db2.gz ZLBRCPRRNINPRT-MRXNPFEDSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982558356 636265344 /nfs/dbraw/zinc/26/53/44/636265344.db2.gz ZBGKLWZLVNCLPQ-QRQLOZEOSA-N 1 3 321.509 2.155 20 0 DEADHO CC(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982558356 636265346 /nfs/dbraw/zinc/26/53/46/636265346.db2.gz ZBGKLWZLVNCLPQ-QRQLOZEOSA-N 1 3 321.509 2.155 20 0 DEADHO CN1CCN(CCCC[NH2+]Cc2nccc3ccccc32)CC1 ZINC000894174353 636386788 /nfs/dbraw/zinc/38/67/88/636386788.db2.gz RGSKBTQFUFZKED-UHFFFAOYSA-N 1 3 312.461 2.352 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001004371567 636398861 /nfs/dbraw/zinc/39/88/61/636398861.db2.gz PHYJYVZXKSTYEF-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001004371567 636398866 /nfs/dbraw/zinc/39/88/66/636398866.db2.gz PHYJYVZXKSTYEF-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CC2)CC1)N(C)C ZINC001004473864 636463949 /nfs/dbraw/zinc/46/39/49/636463949.db2.gz MTECXZQRIJNXTM-MSOLQXFVSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CC2)CC1)N(C)C ZINC001004473864 636463951 /nfs/dbraw/zinc/46/39/51/636463951.db2.gz MTECXZQRIJNXTM-MSOLQXFVSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CN1CCC(C)(C)C1 ZINC001004942620 636615010 /nfs/dbraw/zinc/61/50/10/636615010.db2.gz MHLMYNDXQZTQHN-HOTGVXAUSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CN1CCC(C)(C)C1 ZINC001004942621 636615205 /nfs/dbraw/zinc/61/52/05/636615205.db2.gz MHLMYNDXQZTQHN-HZPDHXFCSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779459 636647297 /nfs/dbraw/zinc/64/72/97/636647297.db2.gz PEXGXXZXKTXNAR-OKZBNKHCSA-N 1 3 321.509 2.155 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779459 636647300 /nfs/dbraw/zinc/64/73/00/636647300.db2.gz PEXGXXZXKTXNAR-OKZBNKHCSA-N 1 3 321.509 2.155 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001028844708 636784147 /nfs/dbraw/zinc/78/41/47/636784147.db2.gz ARVKHZTZJISXBV-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001028844708 636784151 /nfs/dbraw/zinc/78/41/51/636784151.db2.gz ARVKHZTZJISXBV-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCC)C1 ZINC001028918464 636852521 /nfs/dbraw/zinc/85/25/21/636852521.db2.gz IMVYBFMRWPDQQY-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC)C1 ZINC001028918464 636852523 /nfs/dbraw/zinc/85/25/23/636852523.db2.gz IMVYBFMRWPDQQY-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2C[C@H](CO)C2)CC1 ZINC000923003284 636907256 /nfs/dbraw/zinc/90/72/56/636907256.db2.gz CWARNQBGEDLGDD-SAABIXHNSA-N 1 3 317.477 2.079 20 0 DEADHO CC[N@H+](CCCN1CCCC1)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894471593 637058805 /nfs/dbraw/zinc/05/88/05/637058805.db2.gz LJCGMFBDXZWMCW-CVEARBPZSA-N 1 3 314.445 2.428 20 0 DEADHO CC[N@@H+](CCCN1CCCC1)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894471593 637058809 /nfs/dbraw/zinc/05/88/09/637058809.db2.gz LJCGMFBDXZWMCW-CVEARBPZSA-N 1 3 314.445 2.428 20 0 DEADHO CC[N@H+](CCCN1CCCC1)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894471595 637059314 /nfs/dbraw/zinc/05/93/14/637059314.db2.gz LJCGMFBDXZWMCW-HZPDHXFCSA-N 1 3 314.445 2.428 20 0 DEADHO CC[N@@H+](CCCN1CCCC1)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894471595 637059319 /nfs/dbraw/zinc/05/93/19/637059319.db2.gz LJCGMFBDXZWMCW-HZPDHXFCSA-N 1 3 314.445 2.428 20 0 DEADHO c1ccc([C@@H]2CN(C[C@@H]3CC4(C[NH2+]C4)CO3)CCS2)cc1 ZINC000923316499 637107324 /nfs/dbraw/zinc/10/73/24/637107324.db2.gz VFAGLLQSCUAIRU-HOTGVXAUSA-N 1 3 304.459 2.155 20 0 DEADHO CCN(C[C@H](O)COc1ccc(F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000923336015 637122382 /nfs/dbraw/zinc/12/23/82/637122382.db2.gz PKEMGSWCAFJPFM-HOTGVXAUSA-N 1 3 310.413 2.029 20 0 DEADHO CCN(C[C@@H](O)COc1ccccc1F)[C@@H]1CCC[NH2+]CC1 ZINC000923337163 637123501 /nfs/dbraw/zinc/12/35/01/637123501.db2.gz XNRFWRONIKJROT-HUUCEWRRSA-N 1 3 310.413 2.029 20 0 DEADHO CC(C)(C)[C@H](C[NH3+])NC[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000923366982 637139213 /nfs/dbraw/zinc/13/92/13/637139213.db2.gz CFKGFQZYVADYRK-JQHSSLGASA-N 1 3 320.477 2.405 20 0 DEADHO [NH3+]C[C@H](NC[C@@H](O)COc1ccc(F)cc1)C1CCCCC1 ZINC000923373859 637144959 /nfs/dbraw/zinc/14/49/59/637144959.db2.gz PPIQRAOFALUTBX-WBVHZDCISA-N 1 3 310.413 2.063 20 0 DEADHO Cc1cc(C)cc(OC[C@H](O)CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000923387449 637155092 /nfs/dbraw/zinc/15/50/92/637155092.db2.gz OAECXDDECDXRCY-SCTDSRPQSA-N 1 3 318.461 2.104 20 0 DEADHO Fc1cccc(OC2CCN(C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)c1 ZINC000923400001 637159820 /nfs/dbraw/zinc/15/98/20/637159820.db2.gz VTKROPWKJBBQKA-KRWDZBQOSA-N 1 3 320.408 2.047 20 0 DEADHO CN1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)Cc2cccnc21 ZINC000923417045 637162285 /nfs/dbraw/zinc/16/22/85/637162285.db2.gz SUGRWBFHFPLKEJ-ZXFUBFMLSA-N 1 3 300.450 2.254 20 0 DEADHO C[NH+]1CCC(CN2C[C@H](c3ccccc3)[C@@](F)(CO)C2)CC1 ZINC000894688029 637164336 /nfs/dbraw/zinc/16/43/36/637164336.db2.gz LRAUSTFFIIVIJD-MSOLQXFVSA-N 1 3 306.425 2.128 20 0 DEADHO Cc1cccc(OC[C@H](O)CN2CC[C@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000923414645 637167508 /nfs/dbraw/zinc/16/75/08/637167508.db2.gz MQOQDYVWVABQHY-VQIMIIECSA-N 1 3 320.477 2.432 20 0 DEADHO C[C@H](NC(=O)CN1CC[C@@H](CC[NH3+])C1)c1ccc(Cl)cc1 ZINC000923487196 637201635 /nfs/dbraw/zinc/20/16/35/637201635.db2.gz ARQJKGSTGIBFDE-QWHCGFSZSA-N 1 3 309.841 2.188 20 0 DEADHO COc1ccc(-c2noc([C@H](C)N3CC[C@H](CC[NH3+])C3)n2)cc1 ZINC000923485229 637205715 /nfs/dbraw/zinc/20/57/15/637205715.db2.gz QYMRBKNYAIVJMQ-STQMWFEESA-N 1 3 316.405 2.477 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H](C[NH2+]CC2CC(C)C2)C1 ZINC000983661063 637207919 /nfs/dbraw/zinc/20/79/19/637207919.db2.gz LHFISGNULYYKDL-NHHFINERSA-N 1 3 321.509 2.390 20 0 DEADHO Cc1ccc(N2CCC[C@H](N3CC[C@@H](C[NH3+])[C@@H](C)C3)C2=O)cc1 ZINC000923497435 637214215 /nfs/dbraw/zinc/21/42/15/637214215.db2.gz LQGSWHFWGVNWII-BQFCYCMXSA-N 1 3 315.461 2.407 20 0 DEADHO C[C@@H]1CN(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC[C@H]1C[NH3+] ZINC000923500623 637217393 /nfs/dbraw/zinc/21/73/93/637217393.db2.gz QGNZOQQDNSGEPM-QZWWFDLISA-N 1 3 307.482 2.084 20 0 DEADHO C[C@H]([NH2+]CC1CCC1)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001029107121 637239105 /nfs/dbraw/zinc/23/91/05/637239105.db2.gz HWWGNJCKQCOKFU-HNNXBMFYSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]([NH2+]CC1CC1)C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001029145666 637276637 /nfs/dbraw/zinc/27/66/37/637276637.db2.gz CMFKCVAUUVTTRS-CABCVRRESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001029306423 637581462 /nfs/dbraw/zinc/58/14/62/637581462.db2.gz TYNPUECUNKFSIU-FGTMMUONSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001029306423 637581469 /nfs/dbraw/zinc/58/14/69/637581469.db2.gz TYNPUECUNKFSIU-FGTMMUONSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001029306424 637581509 /nfs/dbraw/zinc/58/15/09/637581509.db2.gz TYNPUECUNKFSIU-KSZLIROESA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001029306424 637581515 /nfs/dbraw/zinc/58/15/15/637581515.db2.gz TYNPUECUNKFSIU-KSZLIROESA-N 1 3 319.493 2.335 20 0 DEADHO CC[NH+](CC)C[C@H]1CCN(C(=O)NC[C@H]2CCN2C(C)(C)C)C1 ZINC000895627907 638120434 /nfs/dbraw/zinc/12/04/34/638120434.db2.gz STBKVJGPNKXOOG-HZPDHXFCSA-N 1 3 324.513 2.233 20 0 DEADHO COCCN(Cc1cnc(F)c(C)c1)CC1CC[NH+](C)CC1 ZINC000895691697 638146506 /nfs/dbraw/zinc/14/65/06/638146506.db2.gz KULMCWBUACGGTJ-UHFFFAOYSA-N 1 3 309.429 2.319 20 0 DEADHO COc1cc(CNCc2ccc(CC[NH3+])cc2)cc(OC)c1O ZINC000841033080 650409405 /nfs/dbraw/zinc/40/94/05/650409405.db2.gz KDGBKHRQZXYVMY-UHFFFAOYSA-N 1 3 316.401 2.200 20 0 DEADHO CCO[C@@H](CNc1ccnc2ccc(OC)cc21)C[NH+](C)C ZINC000896108980 638365837 /nfs/dbraw/zinc/36/58/37/638365837.db2.gz JMVJVIMKHBDRRN-AWEZNQCLSA-N 1 3 303.406 2.044 20 0 DEADHO CC[NH2+][C@H](C)CN[C@H]1CCC[C@@H](C(F)(F)C(=O)OCC)C1 ZINC000841063201 650418720 /nfs/dbraw/zinc/41/87/20/650418720.db2.gz FQUCKVBMTOKXOG-UPJWGTAASA-N 1 3 306.397 2.331 20 0 DEADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001029503161 639004790 /nfs/dbraw/zinc/00/47/90/639004790.db2.gz LBOWWYDLJCRSPN-ZACQAIPSSA-N 1 3 307.482 2.335 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CCC2)C1 ZINC000985147905 639079854 /nfs/dbraw/zinc/07/98/54/639079854.db2.gz FOSJJMRRDPEZGE-MUIFIZLQSA-N 1 3 307.482 2.144 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCC2)C1 ZINC000985150433 639083791 /nfs/dbraw/zinc/08/37/91/639083791.db2.gz RKEIKVOTBLOZKD-ULQDDVLXSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@@H]1[C@@H]([NH2+]Cc2ccsc2)CCN1C(=O)CN(C)C1CCC1 ZINC000986354471 639884846 /nfs/dbraw/zinc/88/48/46/639884846.db2.gz KBVFFMGMRLFUKL-CJNGLKHVSA-N 1 3 321.490 2.311 20 0 DEADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000925265174 640045000 /nfs/dbraw/zinc/04/50/00/640045000.db2.gz QIBWCCSZLFEAGY-MHRDGSLOSA-N 1 3 320.868 2.244 20 0 DEADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000925265174 640045005 /nfs/dbraw/zinc/04/50/05/640045005.db2.gz QIBWCCSZLFEAGY-MHRDGSLOSA-N 1 3 320.868 2.244 20 0 DEADHO C[C@@H]1[C@H]([NH2+]CC2=CCCCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987070661 640072132 /nfs/dbraw/zinc/07/21/32/640072132.db2.gz SIPDASXJQFGODD-CZUORRHYSA-N 1 3 302.422 2.032 20 0 DEADHO COC(=O)C1=C(C)O[C@@H](C[N@H+](C)CC[C@H]2CCCCN2C)C1 ZINC000759854136 640127503 /nfs/dbraw/zinc/12/75/03/640127503.db2.gz KPWZOZOOWLCVEQ-HUUCEWRRSA-N 1 3 310.438 2.029 20 0 DEADHO COC(=O)C1=C(C)O[C@@H](C[N@@H+](C)CC[C@H]2CCCCN2C)C1 ZINC000759854136 640127506 /nfs/dbraw/zinc/12/75/06/640127506.db2.gz KPWZOZOOWLCVEQ-HUUCEWRRSA-N 1 3 310.438 2.029 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc(Cl)n1 ZINC000841848714 650578467 /nfs/dbraw/zinc/57/84/67/650578467.db2.gz QDPODFBTKINFCL-HONMWMINSA-N 1 3 324.856 2.019 20 0 DEADHO CCCCCCN(C)CC(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000765270946 640759339 /nfs/dbraw/zinc/75/93/39/640759339.db2.gz RCVBBYUYOCRIAM-GJZGRUSLSA-N 1 3 315.527 2.003 20 0 DEADHO C[C@H](CC(=O)Nc1cccnc1Cl)NCC[N@@H+]1CC[C@H](C)C1 ZINC000766383163 640876130 /nfs/dbraw/zinc/87/61/30/640876130.db2.gz QPNSSYBRXLIASC-QWHCGFSZSA-N 1 3 324.856 2.384 20 0 DEADHO C[C@H](CC(=O)Nc1cccnc1Cl)NCC[N@H+]1CC[C@H](C)C1 ZINC000766383163 640876136 /nfs/dbraw/zinc/87/61/36/640876136.db2.gz QPNSSYBRXLIASC-QWHCGFSZSA-N 1 3 324.856 2.384 20 0 DEADHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(S(C)(=O)=O)cc1 ZINC000322567405 641195122 /nfs/dbraw/zinc/19/51/22/641195122.db2.gz FFRDUNVEPNQHKK-OHRKKDJYSA-N 1 3 322.474 2.366 20 0 DEADHO CC(C)CC[N@@H+]1CCCN(C(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC000989728699 641211328 /nfs/dbraw/zinc/21/13/28/641211328.db2.gz SFXKVDUBCKWLDB-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CC[N@H+]1CCCN(C(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC000989728699 641211332 /nfs/dbraw/zinc/21/13/32/641211332.db2.gz SFXKVDUBCKWLDB-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)CN1C(=O)CN1CCCC1 ZINC000989797359 641235792 /nfs/dbraw/zinc/23/57/92/641235792.db2.gz XPBBOBCTKAZWBQ-RHSMWYFYSA-N 1 3 319.424 2.001 20 0 DEADHO Cc1c([C@H](C)NCCOCC[NH+](C)C)cnn1-c1ccccc1 ZINC000774377851 641896025 /nfs/dbraw/zinc/89/60/25/641896025.db2.gz WGMJIYWHYLGZBE-HNNXBMFYSA-N 1 3 316.449 2.410 20 0 DEADHO CC(C)[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CCN1 ZINC000899019975 641901449 /nfs/dbraw/zinc/90/14/49/641901449.db2.gz APZXAWJHBBJGCF-FGTMMUONSA-N 1 3 315.461 2.136 20 0 DEADHO CC(C)[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CCN1 ZINC000899019975 641901453 /nfs/dbraw/zinc/90/14/53/641901453.db2.gz APZXAWJHBBJGCF-FGTMMUONSA-N 1 3 315.461 2.136 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)C23CC[NH+](CC2)C3)N(C)C)cc1 ZINC000900013725 642241180 /nfs/dbraw/zinc/24/11/80/642241180.db2.gz PJRZLQSLAQUWNC-QGZVFWFLSA-N 1 3 315.461 2.064 20 0 DEADHO COc1cc(OC)cc([C@@H](O)CN[C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902331048 643007488 /nfs/dbraw/zinc/00/74/88/643007488.db2.gz SAPVAJBVBRPKSJ-YOEHRIQHSA-N 1 3 322.449 2.105 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C[C@H](C)O1 ZINC000902872185 643166464 /nfs/dbraw/zinc/16/64/64/643166464.db2.gz XMSIBCIDQXYXOP-NOLQTVRTSA-N 1 3 322.493 2.279 20 0 DEADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC3CC(CC(N)=O)C3)CC2)C1 ZINC000903261717 643303624 /nfs/dbraw/zinc/30/36/24/643303624.db2.gz VYNLZOOPUADBKG-LYSZQXJVSA-N 1 3 307.482 2.273 20 0 DEADHO CO[C@@H]1CCOC[C@H]1N[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000903299522 643309601 /nfs/dbraw/zinc/30/96/01/643309601.db2.gz NRDAFEVSRFVSHT-ZTFGCOKTSA-N 1 3 322.449 2.082 20 0 DEADHO NCc1cn([C@H]2CCC[N@H+](Cc3ccc4cc[nH]c4c3)C2)nn1 ZINC000903458807 643352273 /nfs/dbraw/zinc/35/22/73/643352273.db2.gz KFIUOPQLJAXTGC-INIZCTEOSA-N 1 3 310.405 2.055 20 0 DEADHO NCc1cn([C@H]2CCC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)nn1 ZINC000903458807 643352276 /nfs/dbraw/zinc/35/22/76/643352276.db2.gz KFIUOPQLJAXTGC-INIZCTEOSA-N 1 3 310.405 2.055 20 0 DEADHO CCN(Cc1ccc2c(c1)OCO2)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718475 643437659 /nfs/dbraw/zinc/43/76/59/643437659.db2.gz NEKXACDSGCAWEC-CRAIPNDOSA-N 1 3 318.417 2.006 20 0 DEADHO CCn1cc(CN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C(C)C)cn1 ZINC000903768806 643454776 /nfs/dbraw/zinc/45/47/76/643454776.db2.gz REMVDCZQLVIKFS-QGZVFWFLSA-N 1 3 320.481 2.272 20 0 DEADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(CCc1cccc3c1OC(F)(F)O3)C2 ZINC000903839419 643477968 /nfs/dbraw/zinc/47/79/68/643477968.db2.gz KPPIZJLRCXZDRZ-DRZSPHRISA-N 1 3 310.344 2.362 20 0 DEADHO CC[N@H+](CCc1cccs1)C[C@@H](CN)Cc1cnn(C)c1C ZINC000903887165 643497842 /nfs/dbraw/zinc/49/78/42/643497842.db2.gz ZRRAGHSKAPMUIM-OAHLLOKOSA-N 1 3 320.506 2.472 20 0 DEADHO CC[N@@H+](CCc1cccs1)C[C@@H](CN)Cc1cnn(C)c1C ZINC000903887165 643497849 /nfs/dbraw/zinc/49/78/49/643497849.db2.gz ZRRAGHSKAPMUIM-OAHLLOKOSA-N 1 3 320.506 2.472 20 0 DEADHO CCN(CCc1cccs1)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903887165 643497852 /nfs/dbraw/zinc/49/78/52/643497852.db2.gz ZRRAGHSKAPMUIM-OAHLLOKOSA-N 1 3 320.506 2.472 20 0 DEADHO Cc1c(C[C@H](CN)C[NH2+][C@@H]2C[C@H]2C2CCCCC2)cnn1C ZINC000903925606 643510069 /nfs/dbraw/zinc/51/00/69/643510069.db2.gz HGBBREYWRSHSBY-FHLIZLRMSA-N 1 3 304.482 2.404 20 0 DEADHO Cc1c(C[C@H](CN)C[NH2+][C@@H]2C[C@@H]2C2CCCCC2)cnn1C ZINC000903925613 643510231 /nfs/dbraw/zinc/51/02/31/643510231.db2.gz HGBBREYWRSHSBY-ZTFGCOKTSA-N 1 3 304.482 2.404 20 0 DEADHO Cc1c(C[C@H](C[NH3+])CNC2(c3ccccc3C)CC2)cnn1C ZINC000903930499 643513054 /nfs/dbraw/zinc/51/30/54/643513054.db2.gz YXQPXSQGXLMEIK-MRXNPFEDSA-N 1 3 312.461 2.433 20 0 DEADHO Cc1c(C[C@H](CN)C[NH2+]C2(C)CCC(F)(F)CC2)cnn1C ZINC000903936351 643515485 /nfs/dbraw/zinc/51/54/85/643515485.db2.gz ZNPGGIBIQACISV-CYBMUJFWSA-N 1 3 314.424 2.404 20 0 DEADHO CCOc1cc(C[NH2+]C[C@H]2CNCCC2(F)F)ccc1OC ZINC000903954090 643527628 /nfs/dbraw/zinc/52/76/28/643527628.db2.gz PXWPMTVEBLOPEU-CYBMUJFWSA-N 1 3 314.376 2.428 20 0 DEADHO COc1cc(C)c(C[NH2+]C[C@@H]2CNCCC2(F)F)cc1OC ZINC000903954232 643528756 /nfs/dbraw/zinc/52/87/56/643528756.db2.gz AWYJJAOSULRLSS-ZDUSSCGKSA-N 1 3 314.376 2.347 20 0 DEADHO C[C@@]1(CN2CCC(OC[C@@H]3CCCCO3)CC2)CCC[NH2+]C1 ZINC000904326423 643637519 /nfs/dbraw/zinc/63/75/19/643637519.db2.gz JESVUCAPUDBNKL-ZWKOTPCHSA-N 1 3 310.482 2.426 20 0 DEADHO COc1cccc(CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1OC ZINC000904388969 643651385 /nfs/dbraw/zinc/65/13/85/643651385.db2.gz FSKKPXMAYJXXOK-OAHLLOKOSA-N 1 3 320.433 2.034 20 0 DEADHO COC(=O)c1cccc2c1OCCN(C[C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC000904389513 643651496 /nfs/dbraw/zinc/65/14/96/643651496.db2.gz LTFOUEGXJOMLAQ-UONOGXRCSA-N 1 3 318.417 2.056 20 0 DEADHO COc1ccccc1-n1nccc1CN1CC[C@H](CC[NH3+])C1 ZINC000904405014 643659672 /nfs/dbraw/zinc/65/96/72/643659672.db2.gz GZABGKSLOUVJJJ-AWEZNQCLSA-N 1 3 300.406 2.052 20 0 DEADHO CN1c2ccc(CN3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cc2CCC1=O ZINC000843059908 650881111 /nfs/dbraw/zinc/88/11/11/650881111.db2.gz UNIFKCDHHDVUAM-GVDBMIGSSA-N 1 3 313.445 2.155 20 0 DEADHO C[C@H](CNC1CC[NH+](CC2CC2)CC1)NC(=O)OC(C)(C)C ZINC000793217285 644209882 /nfs/dbraw/zinc/20/98/82/644209882.db2.gz KUXQKJYOEYYKSU-CYBMUJFWSA-N 1 3 311.470 2.364 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC000906967081 644401924 /nfs/dbraw/zinc/40/19/24/644401924.db2.gz OBVARXPCFIRSFA-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC000906967081 644401926 /nfs/dbraw/zinc/40/19/26/644401926.db2.gz OBVARXPCFIRSFA-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1CN[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000796519385 644748090 /nfs/dbraw/zinc/74/80/90/644748090.db2.gz AQHOXVKRFCTNLD-GJZGRUSLSA-N 1 3 311.470 2.460 20 0 DEADHO CCC[N@H+]1CCC[C@H]1CN[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000796519385 644748095 /nfs/dbraw/zinc/74/80/95/644748095.db2.gz AQHOXVKRFCTNLD-GJZGRUSLSA-N 1 3 311.470 2.460 20 0 DEADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cc(C)nc(Cl)c2)CC1 ZINC000797600200 644900401 /nfs/dbraw/zinc/90/04/01/644900401.db2.gz KZVWAZVSIVPTRD-CQSZACIVSA-N 1 3 324.900 2.407 20 0 DEADHO CCCCCCNC(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843387220 650963638 /nfs/dbraw/zinc/96/36/38/650963638.db2.gz PHPIZOXAPOKAJV-IRXDYDNUSA-N 1 3 309.498 2.395 20 0 DEADHO C[C@@H]([NH3+])c1ccc(NC(=O)c2ccc3c(c2)OCCNC3)cc1 ZINC000911847680 645854515 /nfs/dbraw/zinc/85/45/15/645854515.db2.gz RLHDTKJSEPWILK-GFCCVEGCSA-N 1 3 311.385 2.441 20 0 DEADHO C[C@]1(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CN2CCC1CC2 ZINC000912378372 646038749 /nfs/dbraw/zinc/03/87/49/646038749.db2.gz ILWMBYSKPYKKQY-KXBFYZLASA-N 1 3 319.493 2.242 20 0 DEADHO C[C@]1(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CN2CCC1CC2 ZINC000912378372 646038753 /nfs/dbraw/zinc/03/87/53/646038753.db2.gz ILWMBYSKPYKKQY-KXBFYZLASA-N 1 3 319.493 2.242 20 0 DEADHO CCC[NH+]1CCC(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000809983667 646307278 /nfs/dbraw/zinc/30/72/78/646307278.db2.gz PQWZQFXFVWPECW-QGZVFWFLSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CCN1C ZINC000914099249 647153823 /nfs/dbraw/zinc/15/38/23/647153823.db2.gz XISASYHFTLXQJY-BZUAXINKSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CCN1C ZINC000914099249 647153825 /nfs/dbraw/zinc/15/38/25/647153825.db2.gz XISASYHFTLXQJY-BZUAXINKSA-N 1 3 310.486 2.033 20 0 DEADHO CC(C)[NH2+][C@H]1CCC[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]21 ZINC000992860856 647309560 /nfs/dbraw/zinc/30/95/60/647309560.db2.gz OHZJCUWXFRRNFP-KSZLIROESA-N 1 3 321.509 2.343 20 0 DEADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000817901247 647377632 /nfs/dbraw/zinc/37/76/32/647377632.db2.gz UMBOGENRDRMXEZ-YJBOKZPZSA-N 1 3 321.428 2.315 20 0 DEADHO C[C@H](CC(=O)Nc1cccnc1Cl)NC[C@H]1CCC[NH2+]C1 ZINC000817945506 647390906 /nfs/dbraw/zinc/39/09/06/647390906.db2.gz FFNIANHOVDBIMQ-NEPJUHHUSA-N 1 3 310.829 2.041 20 0 DEADHO CC(C)C[C@H](CN)[NH2+][C@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000817958183 647393550 /nfs/dbraw/zinc/39/35/50/647393550.db2.gz INDRYDAWZMPHHR-BHIYHBOVSA-N 1 3 319.493 2.239 20 0 DEADHO CC(C)C[C@H](C[NH3+])N[C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000817958116 647393614 /nfs/dbraw/zinc/39/36/14/647393614.db2.gz HQGUJTXIMCXJFM-NWDGAFQWSA-N 1 3 312.845 2.415 20 0 DEADHO C[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000817965988 647395967 /nfs/dbraw/zinc/39/59/67/647395967.db2.gz YNWKIEBLUOOIAT-BLLLJJGKSA-N 1 3 303.406 2.421 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cccc(C[NH3+])c1 ZINC000818610760 647488475 /nfs/dbraw/zinc/48/84/75/647488475.db2.gz RVTWCCNHVCTAFL-DNVCBOLYSA-N 1 3 323.440 2.396 20 0 DEADHO C[C@H]1C[C@H](Nc2ccc(N3CCN(C)CC3)cc2)CC[N@@H+]1C ZINC000182633160 648953976 /nfs/dbraw/zinc/95/39/76/648953976.db2.gz RQVFJRRZEBOTJW-DOTOQJQBSA-N 1 3 302.466 2.333 20 0 DEADHO C[C@H]1C[C@H](Nc2ccc(N3CCN(C)CC3)cc2)CC[N@H+]1C ZINC000182633160 648953979 /nfs/dbraw/zinc/95/39/79/648953979.db2.gz RQVFJRRZEBOTJW-DOTOQJQBSA-N 1 3 302.466 2.333 20 0 DEADHO NC(C(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(F)(F)F ZINC000827863675 649096497 /nfs/dbraw/zinc/09/64/97/649096497.db2.gz NXRVKALQDGHVMJ-ZDUSSCGKSA-N 1 3 321.387 2.037 20 0 DEADHO CC[N@H+](CCC1CCN(CC[S@](C)=O)CC1)CC(C)C ZINC000828624225 649204019 /nfs/dbraw/zinc/20/40/19/649204019.db2.gz GYPGVNYQPVQCOA-FQEVSTJZSA-N 1 3 302.528 2.445 20 0 DEADHO CC[N@@H+](CCC1CCN(CC[S@](C)=O)CC1)CC(C)C ZINC000828624225 649204026 /nfs/dbraw/zinc/20/40/26/649204026.db2.gz GYPGVNYQPVQCOA-FQEVSTJZSA-N 1 3 302.528 2.445 20 0 DEADHO CN1CC[C@@H](NC(=O)NCCCCCC[NH3+])[C@H]1c1ccccc1 ZINC000831143361 649544042 /nfs/dbraw/zinc/54/40/42/649544042.db2.gz PSLGBVNXEQBUSB-IAGOWNOFSA-N 1 3 318.465 2.250 20 0 DEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)CCCCC[NH3+] ZINC000831411772 649588426 /nfs/dbraw/zinc/58/84/26/649588426.db2.gz IAGGJUCEYBHJBF-UHFFFAOYSA-N 1 3 309.429 2.235 20 0 DEADHO CC1([NH+]2CCCCC2)CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000832225527 649686889 /nfs/dbraw/zinc/68/68/89/649686889.db2.gz WWHVMYCDEHGQAN-QGZVFWFLSA-N 1 3 319.493 2.480 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000834764762 649841365 /nfs/dbraw/zinc/84/13/65/649841365.db2.gz KTIMZMFACZEXBZ-UPTPFMHGSA-N 1 3 307.482 2.382 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000854515115 651493195 /nfs/dbraw/zinc/49/31/95/651493195.db2.gz PRRVDUCVEGVHCG-QGPMSJSTSA-N 1 3 313.445 2.081 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000854515115 651493199 /nfs/dbraw/zinc/49/31/99/651493199.db2.gz PRRVDUCVEGVHCG-QGPMSJSTSA-N 1 3 313.445 2.081 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H](O)c2ccccc2Br)C1 ZINC000848722661 651498723 /nfs/dbraw/zinc/49/87/23/651498723.db2.gz QZGKJJSDWSDCOU-GYSYKLTISA-N 1 3 313.239 2.342 20 0 DEADHO C[C@@H]1CCN(CCNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000849004873 651578248 /nfs/dbraw/zinc/57/82/48/651578248.db2.gz FYJSDCAWDWQPGL-CYBMUJFWSA-N 1 3 318.421 2.126 20 0 DEADHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc2c(c1)CCCO2 ZINC000850426844 651926897 /nfs/dbraw/zinc/92/68/97/651926897.db2.gz FZPQENQVLBTIHT-WMLDXEAASA-N 1 3 304.434 2.119 20 0 DEADHO CN1CCC[C@H]1CNC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857044050 652038019 /nfs/dbraw/zinc/03/80/19/652038019.db2.gz HIAIYQOBVZOCQW-ROUUACIJSA-N 1 3 315.461 2.320 20 0 DEADHO CN1CCC[C@H]1CNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857044050 652038026 /nfs/dbraw/zinc/03/80/26/652038026.db2.gz HIAIYQOBVZOCQW-ROUUACIJSA-N 1 3 315.461 2.320 20 0 DEADHO C[C@H]([NH3+])CCNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000857112004 652054016 /nfs/dbraw/zinc/05/40/16/652054016.db2.gz BMWQZVQMPBURBR-HOTGVXAUSA-N 1 3 318.465 2.030 20 0 DEADHO COc1ccc(OC)c([C@H](O)C[NH2+][C@H]2CCN(C)C(C)(C)C2)c1 ZINC000858092221 652252147 /nfs/dbraw/zinc/25/21/47/652252147.db2.gz ACILMCYRSGJKHR-XJKSGUPXSA-N 1 3 322.449 2.200 20 0 DEADHO O=C1CC[C@@H](C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)O1 ZINC000852039226 652319873 /nfs/dbraw/zinc/31/98/73/652319873.db2.gz CYRIPWZIHRKZLN-HKUYNNGSSA-N 1 3 314.429 2.290 20 0 DEADHO O=C1CC[C@@H](C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)O1 ZINC000852039226 652319879 /nfs/dbraw/zinc/31/98/79/652319879.db2.gz CYRIPWZIHRKZLN-HKUYNNGSSA-N 1 3 314.429 2.290 20 0 DEADHO [NH3+]CCCCCCC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000852861061 652471532 /nfs/dbraw/zinc/47/15/32/652471532.db2.gz ZEMKJEGQYCSHLU-MRXNPFEDSA-N 1 3 305.422 2.195 20 0 DEADHO COC(=O)COc1c(C)cc(CNCC[C@@H]([NH3+])C(C)C)cc1C ZINC000853247301 652529258 /nfs/dbraw/zinc/52/92/58/652529258.db2.gz KUHLBEFFQJCOHS-MRXNPFEDSA-N 1 3 322.449 2.318 20 0 DEADHO C[NH2+]C[C@@H](C)N[C@@H](C)CCCCN1C(=O)c2ccccc2C1=O ZINC000853250040 652529726 /nfs/dbraw/zinc/52/97/26/652529726.db2.gz ZFXZDUYCCYIMFV-UONOGXRCSA-N 1 3 317.433 2.039 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(N2CCCNC2=O)cc1 ZINC000854232953 652662584 /nfs/dbraw/zinc/66/25/84/652662584.db2.gz YCNWAKYXDZSXED-NVXWUHKLSA-N 1 3 316.449 2.213 20 0 DEADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000854230390 652662739 /nfs/dbraw/zinc/66/27/39/652662739.db2.gz OHTNNJRLBVYYJI-QXAKKESOSA-N 1 3 319.493 2.239 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001391395549 1156381918 /nfs/dbraw/zinc/38/19/18/1156381918.db2.gz VDZOUWPKTFMAGK-HOTGVXAUSA-N 1 3 313.461 2.047 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001391395549 1156381923 /nfs/dbraw/zinc/38/19/23/1156381923.db2.gz VDZOUWPKTFMAGK-HOTGVXAUSA-N 1 3 313.461 2.047 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001372670061 1156661355 /nfs/dbraw/zinc/66/13/55/1156661355.db2.gz LCCAFDOGCUUWKR-HNNXBMFYSA-N 1 3 309.498 2.203 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001372670061 1156661360 /nfs/dbraw/zinc/66/13/60/1156661360.db2.gz LCCAFDOGCUUWKR-HNNXBMFYSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)C[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001392181172 1156883193 /nfs/dbraw/zinc/88/31/93/1156883193.db2.gz JAHHIESXVKHTAO-JKSUJKDBSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCC(F)(F)F ZINC001392237684 1156906130 /nfs/dbraw/zinc/90/61/30/1156906130.db2.gz SCNXSIUVDZGEAY-OLZOCXBDSA-N 1 3 323.403 2.011 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@H]2CN(CN3CCC4(CCC4)C3=O)C[C@@H]2C1 ZINC001356055043 1152054819 /nfs/dbraw/zinc/05/48/19/1152054819.db2.gz ACIPTGXVJXBZCR-HRCADAONSA-N 1 3 305.466 2.009 20 0 DEADHO C[C@@H](F)CCN1CC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001375372530 1158549051 /nfs/dbraw/zinc/54/90/51/1158549051.db2.gz FDVPNTWEVMOXMC-CVEARBPZSA-N 1 3 313.461 2.191 20 0 DEADHO CN(C(=O)C[C@H]([NH3+])C1CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388728849 685429693 /nfs/dbraw/zinc/42/96/93/685429693.db2.gz BFKVBVNHHNSPMQ-ROUUACIJSA-N 1 3 315.461 2.237 20 0 DEADHO C[C@@H]1Cc2ccccc2N1C(=O)CN(C)C1CCC([NH3+])CC1 ZINC000388896351 685430030 /nfs/dbraw/zinc/43/00/30/685430030.db2.gz AHTOADXLHNXIBR-IUDNXUCKSA-N 1 3 301.434 2.166 20 0 DEADHO C[C@@H]1[C@H](NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CCN1C ZINC000928437548 693778659 /nfs/dbraw/zinc/77/86/59/693778659.db2.gz QXPOAGZJZMQPTP-KBAYOESNSA-N 1 3 315.461 2.075 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1cccc(Cl)c1 ZINC000104156099 684058380 /nfs/dbraw/zinc/05/83/80/684058380.db2.gz QNKTWSDPJQGZFD-HNNXBMFYSA-N 1 3 308.857 2.271 20 0 DEADHO CC[C@@H](N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000130466434 684189354 /nfs/dbraw/zinc/18/93/54/684189354.db2.gz DDACUOIXSSZPDA-OAHLLOKOSA-N 1 3 322.428 2.032 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000928836076 693852600 /nfs/dbraw/zinc/85/26/00/693852600.db2.gz MTQPMUMCRBFGTL-IRXDYDNUSA-N 1 3 318.465 2.065 20 0 DEADHO CC(C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054144894 693861672 /nfs/dbraw/zinc/86/16/72/693861672.db2.gz DWRKMQADQGIBOQ-GOSISDBHSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054144894 693861673 /nfs/dbraw/zinc/86/16/73/693861673.db2.gz DWRKMQADQGIBOQ-GOSISDBHSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054145356 693862286 /nfs/dbraw/zinc/86/22/86/693862286.db2.gz OBHAQINEAJOQJK-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054145356 693862288 /nfs/dbraw/zinc/86/22/88/693862288.db2.gz OBHAQINEAJOQJK-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](CCC3CC3)C2)C1)N(C)C ZINC001054152460 693864185 /nfs/dbraw/zinc/86/41/85/693864185.db2.gz DXUMIQJBOOZMFC-MJGOQNOKSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1)N(C)C ZINC001054152460 693864188 /nfs/dbraw/zinc/86/41/88/693864188.db2.gz DXUMIQJBOOZMFC-MJGOQNOKSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@]2(CC[N@H+](CCC3CC3)C2)C1)N(C)C ZINC001054152457 693864236 /nfs/dbraw/zinc/86/42/36/693864236.db2.gz DXUMIQJBOOZMFC-IEBWSBKVSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@]2(CC[N@@H+](CCC3CC3)C2)C1)N(C)C ZINC001054152457 693864240 /nfs/dbraw/zinc/86/42/40/693864240.db2.gz DXUMIQJBOOZMFC-IEBWSBKVSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](CCCF)C2)C1)N(C)C ZINC001054154010 693865239 /nfs/dbraw/zinc/86/52/39/693865239.db2.gz OOWCQHLSCCQICR-WBVHZDCISA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CCCF)C2)C1)N(C)C ZINC001054154010 693865240 /nfs/dbraw/zinc/86/52/40/693865240.db2.gz OOWCQHLSCCQICR-WBVHZDCISA-N 1 3 313.461 2.001 20 0 DEADHO CC(C)(CNC(=[NH2+])Nc1ccc(CCO)cc1)N1CCCCC1 ZINC000864451374 686724694 /nfs/dbraw/zinc/72/46/94/686724694.db2.gz FZUZSEOZPVNVSL-UHFFFAOYSA-N 1 3 318.465 2.422 20 0 DEADHO C[C@H](CNC(=[NH2+])Nc1ccc(CCO)cc1)N1CCC[C@@H](C)C1 ZINC000864453232 686725377 /nfs/dbraw/zinc/72/53/77/686725377.db2.gz LOFCUAIPBDSSDZ-HUUCEWRRSA-N 1 3 318.465 2.278 20 0 DEADHO c1nc(CNCC2CC[NH+](C3CCOCC3)CC2)cn1C1CC1 ZINC000865621263 687280893 /nfs/dbraw/zinc/28/08/93/687280893.db2.gz ZFVBIPJQIGXEIA-UHFFFAOYSA-N 1 3 318.465 2.199 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001016322961 687591377 /nfs/dbraw/zinc/59/13/77/687591377.db2.gz MEBLRZRTCHAJHE-KRWDZBQOSA-N 1 3 303.450 2.208 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001016322961 687591378 /nfs/dbraw/zinc/59/13/78/687591378.db2.gz MEBLRZRTCHAJHE-KRWDZBQOSA-N 1 3 303.450 2.208 20 0 DEADHO C[NH+](C)C1(C)CCC(N[C@@H](c2nnc[nH]2)c2cccnc2)CC1 ZINC000866517781 687597701 /nfs/dbraw/zinc/59/77/01/687597701.db2.gz MQCUJMIAYHXEMX-ISXOHVOVSA-N 1 3 314.437 2.142 20 0 DEADHO CC(C)(C(=O)N[C@H]1CC12CC[NH+](CC1CC1)CC2)N1CCCC1 ZINC001016760892 687697774 /nfs/dbraw/zinc/69/77/74/687697774.db2.gz DNRAFDVKWDNPNM-INIZCTEOSA-N 1 3 319.493 2.242 20 0 DEADHO CC(C)=CC[NH+]1CCC2(C[C@H]2NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001016821332 687709642 /nfs/dbraw/zinc/70/96/42/687709642.db2.gz ZVZLGNFIGXUFBI-DLBZAZTESA-N 1 3 319.493 2.265 20 0 DEADHO C[N@H+](CC1CCCC1)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001017222342 687830447 /nfs/dbraw/zinc/83/04/47/687830447.db2.gz QXEMNQAHLOWTEQ-MRXNPFEDSA-N 1 3 318.465 2.313 20 0 DEADHO C[N@@H+](CC1CCCC1)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001017222342 687830452 /nfs/dbraw/zinc/83/04/52/687830452.db2.gz QXEMNQAHLOWTEQ-MRXNPFEDSA-N 1 3 318.465 2.313 20 0 DEADHO Cc1cccc(C)c1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001018628942 688188808 /nfs/dbraw/zinc/18/88/08/688188808.db2.gz UFDVHIGTRNHRLP-FUHWJXTLSA-N 1 3 315.461 2.088 20 0 DEADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)cs1 ZINC001018966767 688263215 /nfs/dbraw/zinc/26/32/15/688263215.db2.gz RQQQBTRFBANDSO-HOTGVXAUSA-N 1 3 321.490 2.087 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C1)C1CC1 ZINC001018967963 688263488 /nfs/dbraw/zinc/26/34/88/688263488.db2.gz NNRMOICGFRZAPB-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001019382397 688343230 /nfs/dbraw/zinc/34/32/30/688343230.db2.gz AGVNFXHNVYZFPO-WMZOPIPTSA-N 1 3 315.461 2.027 20 0 DEADHO CN(CC(=O)N1CC[C@H](C[N@H+](C)CC2CCCC2)C1)C1CCC1 ZINC001029754755 688573277 /nfs/dbraw/zinc/57/32/77/688573277.db2.gz CLZDHURJOQQODH-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CN(CC(=O)N1CC[C@H](C[N@@H+](C)CC2CCCC2)C1)C1CCC1 ZINC001029754755 688573281 /nfs/dbraw/zinc/57/32/81/688573281.db2.gz CLZDHURJOQQODH-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000870854210 688667540 /nfs/dbraw/zinc/66/75/40/688667540.db2.gz ORAZKHNUJFYSSY-DODZYUBVSA-N 1 3 313.445 2.067 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)c1ccsc1 ZINC000870865562 688671723 /nfs/dbraw/zinc/67/17/23/688671723.db2.gz CLHZPJIZGMGXSS-DLTWYDFYSA-N 1 3 321.490 2.375 20 0 DEADHO Cc1cccc(CN2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC000870908084 688683548 /nfs/dbraw/zinc/68/35/48/688683548.db2.gz UNJPFDKXJDDDMI-SFHVURJKSA-N 1 3 315.461 2.027 20 0 DEADHO COc1ccc([C@@H]2CN(C[C@H]3CC[NH2+][C@@H](C)C3)CCO2)cc1 ZINC000873221210 689186907 /nfs/dbraw/zinc/18/69/07/689186907.db2.gz GXLVCEPPAOGHCV-MPGHIAIKSA-N 1 3 304.434 2.457 20 0 DEADHO NCc1cn(-c2cccc(C[NH2+][C@H]3CCCc4occc43)c2)nn1 ZINC000873244962 689192667 /nfs/dbraw/zinc/19/26/67/689192667.db2.gz WWJATLFHNAWECP-KRWDZBQOSA-N 1 3 323.400 2.486 20 0 DEADHO CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001032684906 689224611 /nfs/dbraw/zinc/22/46/11/689224611.db2.gz YORNYAICJOPSSB-ROUUACIJSA-N 1 3 315.461 2.447 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(CN(C)C)c1 ZINC001032799559 689263914 /nfs/dbraw/zinc/26/39/14/689263914.db2.gz CBGILMDJZLOTMS-ROUUACIJSA-N 1 3 315.461 2.303 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(CN(C)C)c1 ZINC001032799559 689263917 /nfs/dbraw/zinc/26/39/17/689263917.db2.gz CBGILMDJZLOTMS-ROUUACIJSA-N 1 3 315.461 2.303 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC1)[NH+]1CCCC1 ZINC001032804125 689266124 /nfs/dbraw/zinc/26/61/24/689266124.db2.gz XUJKGYIEIVVCOB-BZSNNMDCSA-N 1 3 319.493 2.192 20 0 DEADHO CC(C)=CCN1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033358070 689476206 /nfs/dbraw/zinc/47/62/06/689476206.db2.gz GGZSHTHMOJGOKA-ULQDDVLXSA-N 1 3 307.482 2.216 20 0 DEADHO CC(C)=CCN1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033358070 689476207 /nfs/dbraw/zinc/47/62/07/689476207.db2.gz GGZSHTHMOJGOKA-ULQDDVLXSA-N 1 3 307.482 2.216 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)N2CCCCCC2)C1 ZINC001033467349 689511486 /nfs/dbraw/zinc/51/14/86/689511486.db2.gz NJTSLUZVWTXUIA-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)N2CCCCCC2)C1 ZINC001033467349 689511490 /nfs/dbraw/zinc/51/14/90/689511490.db2.gz NJTSLUZVWTXUIA-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCN(CC=C(C)C)C1 ZINC001033940686 689669121 /nfs/dbraw/zinc/66/91/21/689669121.db2.gz KFQCGHZCWGTCEB-QGZVFWFLSA-N 1 3 307.482 2.217 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCF)CC1 ZINC001034749958 689939922 /nfs/dbraw/zinc/93/99/22/689939922.db2.gz OYLAXTRXUNRRHP-BZUAXINKSA-N 1 3 313.461 2.236 20 0 DEADHO CN(C)CCN(Cc1ccccc1)C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876874067 689961007 /nfs/dbraw/zinc/96/10/07/689961007.db2.gz ZEAHFFOEFKBJCO-QXPKXGMISA-N 1 3 315.461 2.133 20 0 DEADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cccc(Cl)c2N)CC1 ZINC000877017903 689998263 /nfs/dbraw/zinc/99/82/63/689998263.db2.gz WPPUUHPQTBTFAI-CQSZACIVSA-N 1 3 324.900 2.285 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1)C1CCC1 ZINC001034958032 689999272 /nfs/dbraw/zinc/99/92/72/689999272.db2.gz VNJHEGUBZCAMGD-GOSISDBHSA-N 1 3 315.461 2.252 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000877030182 690002080 /nfs/dbraw/zinc/00/20/80/690002080.db2.gz AHNUAHASABXQAT-QGPMSJSTSA-N 1 3 311.429 2.177 20 0 DEADHO Nc1c(Cl)cccc1C[NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000877091083 690016230 /nfs/dbraw/zinc/01/62/30/690016230.db2.gz ZPRWKCYAZQBNPE-HOTGVXAUSA-N 1 3 323.868 2.390 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCC1)N(C)C ZINC001035038479 690017700 /nfs/dbraw/zinc/01/77/00/690017700.db2.gz JHDWSUTXXXDMRL-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccccc21 ZINC001035063241 690024181 /nfs/dbraw/zinc/02/41/81/690024181.db2.gz SLEVROIWGIVEKO-SJLPKXTDSA-N 1 3 324.428 2.220 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC2(CC[N@H+](CC3CC3)C2)CC1)C1CC1 ZINC001035193417 690055347 /nfs/dbraw/zinc/05/53/47/690055347.db2.gz BUCMXXLLIZBBSI-KRWDZBQOSA-N 1 3 319.493 2.051 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC2(CC[N@@H+](CC3CC3)C2)CC1)C1CC1 ZINC001035193417 690055351 /nfs/dbraw/zinc/05/53/51/690055351.db2.gz BUCMXXLLIZBBSI-KRWDZBQOSA-N 1 3 319.493 2.051 20 0 DEADHO C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H]2Cc3ccccc3CN2)cc1 ZINC000877341610 690081629 /nfs/dbraw/zinc/08/16/29/690081629.db2.gz UZSBELVSQBMOBP-UGSOOPFHSA-N 1 3 309.413 2.151 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1)N(C)C ZINC000877444762 690115027 /nfs/dbraw/zinc/11/50/27/690115027.db2.gz PNVFHHMKVZAVJF-HYVNUMGLSA-N 1 3 309.498 2.473 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000877447780 690115747 /nfs/dbraw/zinc/11/57/47/690115747.db2.gz BDWZVEXKDNRJMJ-RDJZCZTQSA-N 1 3 309.498 2.473 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000877447783 690115905 /nfs/dbraw/zinc/11/59/05/690115905.db2.gz BDWZVEXKDNRJMJ-WBVHZDCISA-N 1 3 309.498 2.473 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000877450412 690116757 /nfs/dbraw/zinc/11/67/57/690116757.db2.gz GWMOARLIYSEFBB-WBVHZDCISA-N 1 3 309.498 2.474 20 0 DEADHO CN(CC(=O)N1CCC2(C[NH+](CCC3CC3)C2)CC1)C1CCC1 ZINC001035722437 690161058 /nfs/dbraw/zinc/16/10/58/690161058.db2.gz UJSHMGDRCUOORH-UHFFFAOYSA-N 1 3 319.493 2.195 20 0 DEADHO O=C(CN1CCCC1)N1CCC2(C[NH+](CC3CCCC3)C2)CC1 ZINC001035851735 690193222 /nfs/dbraw/zinc/19/32/22/690193222.db2.gz VMXYHANPMNZFIU-UHFFFAOYSA-N 1 3 319.493 2.197 20 0 DEADHO CCc1cccc(CN2CCC([NH+]3CCN(C)CC3)CC2)c1 ZINC000877746931 690213990 /nfs/dbraw/zinc/21/39/90/690213990.db2.gz NJYULSGUBYORIX-UHFFFAOYSA-N 1 3 301.478 2.461 20 0 DEADHO COc1nccnc1CN(CC(C)C)CC1CC[NH+](C)CC1 ZINC000877767671 690219929 /nfs/dbraw/zinc/21/99/29/690219929.db2.gz SIWLJFXTLGETQT-UHFFFAOYSA-N 1 3 306.454 2.285 20 0 DEADHO CO[C@@H]1CCN(CC(C[N@@H+]2CC[C@@H](OC)C2)C2CCCC2)C1 ZINC000878165827 690332866 /nfs/dbraw/zinc/33/28/66/690332866.db2.gz FRHTVSNLCLGUMY-QZTJIDSGSA-N 1 3 310.482 2.234 20 0 DEADHO CO[C@@H]1CCN(CC(C[N@H+]2CC[C@@H](OC)C2)C2CCCC2)C1 ZINC000878165827 690332870 /nfs/dbraw/zinc/33/28/70/690332870.db2.gz FRHTVSNLCLGUMY-QZTJIDSGSA-N 1 3 310.482 2.234 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C[C@H]3CCC4(CCOCC4)CO3)CC[C@@H]21 ZINC000878197594 690343982 /nfs/dbraw/zinc/34/39/82/690343982.db2.gz PHWQSNKAYBKENY-KURKYZTESA-N 1 3 322.493 2.378 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C[C@H]3CCC4(CCOCC4)CO3)CC[C@@H]21 ZINC000878197594 690343986 /nfs/dbraw/zinc/34/39/86/690343986.db2.gz PHWQSNKAYBKENY-KURKYZTESA-N 1 3 322.493 2.378 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC(C)(C)C ZINC001038237554 690751684 /nfs/dbraw/zinc/75/16/84/690751684.db2.gz CVASPOYOBNVCID-CVEARBPZSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCC(C)(C)C ZINC001038237554 690751688 /nfs/dbraw/zinc/75/16/88/690751688.db2.gz CVASPOYOBNVCID-CVEARBPZSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC(C)(C)C ZINC001038237556 690752222 /nfs/dbraw/zinc/75/22/22/690752222.db2.gz CVASPOYOBNVCID-HZPDHXFCSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCC(C)(C)C ZINC001038237556 690752224 /nfs/dbraw/zinc/75/22/24/690752224.db2.gz CVASPOYOBNVCID-HZPDHXFCSA-N 1 3 309.498 2.486 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001038327840 690783490 /nfs/dbraw/zinc/78/34/90/690783490.db2.gz KIEJLZWYIWEOQC-IAGOWNOFSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001038327840 690783494 /nfs/dbraw/zinc/78/34/94/690783494.db2.gz KIEJLZWYIWEOQC-IAGOWNOFSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CCN1CC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001038392916 690803833 /nfs/dbraw/zinc/80/38/33/690803833.db2.gz DWVPUDQQSVLIBD-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1CC1CCC1 ZINC001038440508 690823392 /nfs/dbraw/zinc/82/33/92/690823392.db2.gz CXKXCAAURJWICF-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1CC1CCC1 ZINC001038440508 690823397 /nfs/dbraw/zinc/82/33/97/690823397.db2.gz CXKXCAAURJWICF-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN1CC1CCC1 ZINC001038440507 690823826 /nfs/dbraw/zinc/82/38/26/690823826.db2.gz CXKXCAAURJWICF-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN1CC1CCC1 ZINC001038440507 690823831 /nfs/dbraw/zinc/82/38/31/690823831.db2.gz CXKXCAAURJWICF-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1CCC1CC1 ZINC001038445959 690826686 /nfs/dbraw/zinc/82/66/86/690826686.db2.gz WPPVZSFCZOLHEG-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1CCC1CC1 ZINC001038445959 690826691 /nfs/dbraw/zinc/82/66/91/690826691.db2.gz WPPVZSFCZOLHEG-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO C[NH+]1CCC(C(=O)NC[C@H]2CCN2CCCC2CCC2)CC1 ZINC001038664647 690890254 /nfs/dbraw/zinc/89/02/54/690890254.db2.gz VSNFEAFUAFXCDX-QGZVFWFLSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)CN1CC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001038818550 690933060 /nfs/dbraw/zinc/93/30/60/690933060.db2.gz ORCRTWXOOIYGKB-QGZVFWFLSA-N 1 3 303.450 2.208 20 0 DEADHO O=C(NC[C@H]1CCN1CCC1=CCCCC1)C12CC[NH+](CC1)C2 ZINC001038925446 690967780 /nfs/dbraw/zinc/96/77/80/690967780.db2.gz IMLWDIJXRPAKAW-QGZVFWFLSA-N 1 3 317.477 2.163 20 0 DEADHO O=C(NC[C@H]1CCN1CCCC1CCCC1)C12CC[NH+](CC1)C2 ZINC001038926136 690968521 /nfs/dbraw/zinc/96/85/21/690968521.db2.gz NUAGSOMHIUSUCM-QGZVFWFLSA-N 1 3 319.493 2.243 20 0 DEADHO CC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039163641 691036711 /nfs/dbraw/zinc/03/67/11/691036711.db2.gz FBPGHOYJFZMSPY-WBVHZDCISA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039163641 691036713 /nfs/dbraw/zinc/03/67/13/691036713.db2.gz FBPGHOYJFZMSPY-WBVHZDCISA-N 1 3 307.482 2.051 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC([NH+](CC2CC2)CC2CC2)CC1 ZINC001039483981 691116872 /nfs/dbraw/zinc/11/68/72/691116872.db2.gz KKDPIKRPBGUUOH-SFHVURJKSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039914590 691163098 /nfs/dbraw/zinc/16/30/98/691163098.db2.gz UTPMATDIXUCPQO-DZJNRPSUSA-N 1 3 319.493 2.050 20 0 DEADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039914590 691163102 /nfs/dbraw/zinc/16/31/02/691163102.db2.gz UTPMATDIXUCPQO-DZJNRPSUSA-N 1 3 319.493 2.050 20 0 DEADHO CC(C)[N@@H+]1CCC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040241828 691219485 /nfs/dbraw/zinc/21/94/85/691219485.db2.gz TXAQKHUGZMHXNC-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[N@H+]1CCC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040241828 691219488 /nfs/dbraw/zinc/21/94/88/691219488.db2.gz TXAQKHUGZMHXNC-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001040393702 691241244 /nfs/dbraw/zinc/24/12/44/691241244.db2.gz CRCULMQXZJZCIC-WMZOPIPTSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001040393702 691241247 /nfs/dbraw/zinc/24/12/47/691241247.db2.gz CRCULMQXZJZCIC-WMZOPIPTSA-N 1 3 307.482 2.195 20 0 DEADHO CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001041358229 691366719 /nfs/dbraw/zinc/36/67/19/691366719.db2.gz MFUDIMVNHVYFBO-WMZOPIPTSA-N 1 3 307.482 2.051 20 0 DEADHO CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001041358229 691366721 /nfs/dbraw/zinc/36/67/21/691366721.db2.gz MFUDIMVNHVYFBO-WMZOPIPTSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041363907 691367857 /nfs/dbraw/zinc/36/78/57/691367857.db2.gz XHGQWEGCGHLPCE-IBGZPJMESA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)CC[N@H+]1CC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041363907 691367860 /nfs/dbraw/zinc/36/78/60/691367860.db2.gz XHGQWEGCGHLPCE-IBGZPJMESA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001041380348 691370091 /nfs/dbraw/zinc/37/00/91/691370091.db2.gz YJUTYLYRKBOALF-FUHWJXTLSA-N 1 3 309.498 2.297 20 0 DEADHO CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001041380348 691370093 /nfs/dbraw/zinc/37/00/93/691370093.db2.gz YJUTYLYRKBOALF-FUHWJXTLSA-N 1 3 309.498 2.297 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC[C@@]3(CC[N@H+](CC4CC4)C3)C2)C1 ZINC001041666959 691407895 /nfs/dbraw/zinc/40/78/95/691407895.db2.gz AOPDTVFGOUNATL-LJQANCHMSA-N 1 3 319.493 2.053 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC[C@@]3(CC[N@@H+](CC4CC4)C3)C2)C1 ZINC001041666959 691407897 /nfs/dbraw/zinc/40/78/97/691407897.db2.gz AOPDTVFGOUNATL-LJQANCHMSA-N 1 3 319.493 2.053 20 0 DEADHO CC(C)C[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001041674134 691408588 /nfs/dbraw/zinc/40/85/88/691408588.db2.gz IESYLTFQHSILRK-WMZOPIPTSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)C[N@H+]1CC[C@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001041674134 691408589 /nfs/dbraw/zinc/40/85/89/691408589.db2.gz IESYLTFQHSILRK-WMZOPIPTSA-N 1 3 307.482 2.051 20 0 DEADHO COC(=O)c1cc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)n(C)c1C ZINC000883343476 691485314 /nfs/dbraw/zinc/48/53/14/691485314.db2.gz NYGVNPIFXZFHNC-ZDUSSCGKSA-N 1 3 307.438 2.083 20 0 DEADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@H+](CC3CC3)[C@H]2C1)N1CCCC1 ZINC001042188910 691532738 /nfs/dbraw/zinc/53/27/38/691532738.db2.gz XLRBRKMBUNHYOZ-IRXDYDNUSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@@H+](CC3CC3)[C@H]2C1)N1CCCC1 ZINC001042188910 691532741 /nfs/dbraw/zinc/53/27/41/691532741.db2.gz XLRBRKMBUNHYOZ-IRXDYDNUSA-N 1 3 319.493 2.194 20 0 DEADHO CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@@H]21 ZINC001042368971 691583815 /nfs/dbraw/zinc/58/38/15/691583815.db2.gz UEGWGLHSANOAQP-QAPCUYQASA-N 1 3 315.461 2.305 20 0 DEADHO CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@@H]21 ZINC001042368971 691583817 /nfs/dbraw/zinc/58/38/17/691583817.db2.gz UEGWGLHSANOAQP-QAPCUYQASA-N 1 3 315.461 2.305 20 0 DEADHO COCC[C@@H](N)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000884186420 691677565 /nfs/dbraw/zinc/67/75/65/691677565.db2.gz ZHYKKBZHZKVYCT-QGZVFWFLSA-N 1 3 319.449 2.221 20 0 DEADHO C[NH2+][C@@H](CC(C)C)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000884220551 691685247 /nfs/dbraw/zinc/68/52/47/691685247.db2.gz WHCNXMXTCSOLLQ-RDJZCZTQSA-N 1 3 305.466 2.257 20 0 DEADHO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000884357238 691718343 /nfs/dbraw/zinc/71/83/43/691718343.db2.gz USVFZUCUXYRCHI-HZPDHXFCSA-N 1 3 301.434 2.138 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884358362 691718362 /nfs/dbraw/zinc/71/83/62/691718362.db2.gz PQRKASRPEGXAJA-CABCVRRESA-N 1 3 315.417 2.350 20 0 DEADHO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000884408217 691731951 /nfs/dbraw/zinc/73/19/51/691731951.db2.gz AGFSVKYGSJATQQ-HZPDHXFCSA-N 1 3 319.449 2.296 20 0 DEADHO CC(C)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H](C)C1 ZINC001044742216 691880905 /nfs/dbraw/zinc/88/09/05/691880905.db2.gz HCIMWFXLGAMCDH-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001044959777 691919938 /nfs/dbraw/zinc/91/99/38/691919938.db2.gz MFHRIKKEGUYKRS-DLBZAZTESA-N 1 3 319.424 2.001 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001045067151 691934806 /nfs/dbraw/zinc/93/48/06/691934806.db2.gz HDSWBAAYUPHVIS-IRXDYDNUSA-N 1 3 321.509 2.343 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccccc2)CCC1 ZINC001045068731 691935373 /nfs/dbraw/zinc/93/53/73/691935373.db2.gz OFWAJJCGQHYQAM-KRWDZBQOSA-N 1 3 315.461 2.252 20 0 DEADHO CN1CC[NH+](C2CCN(C[C@H]3CCC4(CCC4)CO3)CC2)CC1 ZINC000886310399 692052043 /nfs/dbraw/zinc/05/20/43/692052043.db2.gz KVDAAGZCBYMPJI-GOSISDBHSA-N 1 3 321.509 2.048 20 0 DEADHO CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001045944120 692058942 /nfs/dbraw/zinc/05/89/42/692058942.db2.gz XYIGWLATUWECRN-KRWDZBQOSA-N 1 3 307.482 2.195 20 0 DEADHO CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001045944120 692058945 /nfs/dbraw/zinc/05/89/45/692058945.db2.gz XYIGWLATUWECRN-KRWDZBQOSA-N 1 3 307.482 2.195 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@@]2(CC[N@H+](CC3CC3)C2)C1)N(C)C ZINC001045947555 692059841 /nfs/dbraw/zinc/05/98/41/692059841.db2.gz MHLKUBWYYFETHN-MJGOQNOKSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@@]2(CC[N@@H+](CC3CC3)C2)C1)N(C)C ZINC001045947555 692059844 /nfs/dbraw/zinc/05/98/44/692059844.db2.gz MHLKUBWYYFETHN-MJGOQNOKSA-N 1 3 321.509 2.441 20 0 DEADHO COc1nccc(CNC2CCC(C)([NH+]3CCCC3)CC2)n1 ZINC000886615665 692134191 /nfs/dbraw/zinc/13/41/91/692134191.db2.gz KYDKFRNBBJXVMP-UHFFFAOYSA-N 1 3 304.438 2.372 20 0 DEADHO C[C@@H]1C[C@@]2(CC[C@@H](CNC3CC[NH+](CC4CC4)CC3)O2)CO1 ZINC000886761463 692185401 /nfs/dbraw/zinc/18/54/01/692185401.db2.gz FFCQBDNDBPIACO-JLSDUUJJSA-N 1 3 308.466 2.177 20 0 DEADHO C(CN1CC[C@H]([C@H]2CCCO2)C1)C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886822386 692201246 /nfs/dbraw/zinc/20/12/46/692201246.db2.gz PYQIFJIRFYMNSQ-SEXKYXSUSA-N 1 3 322.493 2.378 20 0 DEADHO C(CN1CC[C@H]([C@H]2CCCO2)C1)C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886822386 692201251 /nfs/dbraw/zinc/20/12/51/692201251.db2.gz PYQIFJIRFYMNSQ-SEXKYXSUSA-N 1 3 322.493 2.378 20 0 DEADHO C(CN1CC[C@@H]([C@@H]2CCCO2)C1)C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886822386 692201255 /nfs/dbraw/zinc/20/12/55/692201255.db2.gz PYQIFJIRFYMNSQ-SEXKYXSUSA-N 1 3 322.493 2.378 20 0 DEADHO C(CN1CC[C@@H]([C@@H]2CCCO2)C1)C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886822386 692201259 /nfs/dbraw/zinc/20/12/59/692201259.db2.gz PYQIFJIRFYMNSQ-SEXKYXSUSA-N 1 3 322.493 2.378 20 0 DEADHO FC(F)(F)SCCN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000886841413 692207471 /nfs/dbraw/zinc/20/74/71/692207471.db2.gz KRNRZRJNFFTCMA-LBPRGKRZSA-N 1 3 312.401 2.330 20 0 DEADHO C([C@@H]1CCC2(CCOCC2)CO1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886876184 692218550 /nfs/dbraw/zinc/21/85/50/692218550.db2.gz TUMSWBCWILVONB-PKOBYXMFSA-N 1 3 322.493 2.428 20 0 DEADHO CC[NH+]1CCC([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001047243432 692401064 /nfs/dbraw/zinc/40/10/64/692401064.db2.gz LJULKVAMTLCPBP-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[NH+]1CCC([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001047258855 692403338 /nfs/dbraw/zinc/40/33/38/692403338.db2.gz HUQJCGYJNRDSPL-MRXNPFEDSA-N 1 3 318.465 2.311 20 0 DEADHO CCC[NH+]1CCC([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001047259760 692403934 /nfs/dbraw/zinc/40/39/34/692403934.db2.gz STAAGGSOFZAZJM-MRXNPFEDSA-N 1 3 318.465 2.313 20 0 DEADHO C[C@@H]([NH2+]CC1CCCC1)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047866205 692503485 /nfs/dbraw/zinc/50/34/85/692503485.db2.gz ALVAYTOHCGGHNW-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]([NH2+]Cc1ccsc1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048066513 692542062 /nfs/dbraw/zinc/54/20/62/692542062.db2.gz ONCHAXBAPSRATL-ZBFHGGJFSA-N 1 3 321.490 2.171 20 0 DEADHO C[C@@H]([NH2+]CC1CC(C)(C)C1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048067117 692542079 /nfs/dbraw/zinc/54/20/79/692542079.db2.gz ROBTUCMPXUSRQO-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@]1([C@@H]2CCCN(CCC[NH+]3CCCCC3)C2)COC(=O)N1 ZINC000932020189 694529645 /nfs/dbraw/zinc/52/96/45/694529645.db2.gz HOFSDJPRASLODL-WBVHZDCISA-N 1 3 309.454 2.073 20 0 DEADHO CC[NH2+]C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001048481183 692627480 /nfs/dbraw/zinc/62/74/80/692627480.db2.gz YGXLVYXSKVVDSE-PBHICJAKSA-N 1 3 303.450 2.066 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CCCC3)C[C@@H]2C1)N(C)C ZINC001048875785 692715067 /nfs/dbraw/zinc/71/50/67/692715067.db2.gz NOWWXOGETJKMGH-KSZLIROESA-N 1 3 321.509 2.153 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC3CCCC3)C[C@@H]2C1)N(C)C ZINC001048875785 692715069 /nfs/dbraw/zinc/71/50/69/692715069.db2.gz NOWWXOGETJKMGH-KSZLIROESA-N 1 3 321.509 2.153 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCC3CCCC3)C[C@@H]2C1)N(C)C ZINC001048888646 692716495 /nfs/dbraw/zinc/71/64/95/692716495.db2.gz SUIRMLREUPDYHA-FGTMMUONSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CCC3CCCC3)C[C@@H]2C1)N(C)C ZINC001048888646 692716500 /nfs/dbraw/zinc/71/65/00/692716500.db2.gz SUIRMLREUPDYHA-FGTMMUONSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@H](C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@H]2C1 ZINC001049233715 692796712 /nfs/dbraw/zinc/79/67/12/692796712.db2.gz RCCFLVAAXWHESN-WNRNVDISSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@H](C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@H]2C1 ZINC001049233715 692796714 /nfs/dbraw/zinc/79/67/14/692796714.db2.gz RCCFLVAAXWHESN-WNRNVDISSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001049713307 692972379 /nfs/dbraw/zinc/97/23/79/692972379.db2.gz XOOXXVBQGSQZNB-YESZJQIVSA-N 1 3 309.498 2.294 20 0 DEADHO CC(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001049713307 692972382 /nfs/dbraw/zinc/97/23/82/692972382.db2.gz XOOXXVBQGSQZNB-YESZJQIVSA-N 1 3 309.498 2.294 20 0 DEADHO CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1CN(C)C ZINC001049916816 693046846 /nfs/dbraw/zinc/04/68/46/693046846.db2.gz FUADSKAZFLOLAL-ROUUACIJSA-N 1 3 315.461 2.447 20 0 DEADHO CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1CN(C)C ZINC001049916816 693046849 /nfs/dbraw/zinc/04/68/49/693046849.db2.gz FUADSKAZFLOLAL-ROUUACIJSA-N 1 3 315.461 2.447 20 0 DEADHO CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H](C)CCN(C)C ZINC000924854006 693193858 /nfs/dbraw/zinc/19/38/58/693193858.db2.gz QZNLGSGYFFMDBX-IGCXYCKISA-N 1 3 309.429 2.321 20 0 DEADHO CN(CC(=O)N1CC2(C1)CC[NH+](CCC1CC1)CC2)C1CCC1 ZINC001050545388 693204490 /nfs/dbraw/zinc/20/44/90/693204490.db2.gz DKFBHWWCDSHFLT-UHFFFAOYSA-N 1 3 319.493 2.195 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC2(CN(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001050668161 693228226 /nfs/dbraw/zinc/22/82/26/693228226.db2.gz JXWOCWNPEMXUIU-CVEARBPZSA-N 1 3 309.498 2.297 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[NH+](CC1CCCC1)CC2 ZINC001050681758 693230963 /nfs/dbraw/zinc/23/09/63/693230963.db2.gz RPQBFFZZDFMSMF-UHFFFAOYSA-N 1 3 316.449 2.067 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C(C)C)CC2 ZINC001050765786 693246983 /nfs/dbraw/zinc/24/69/83/693246983.db2.gz XAKUQIYWYBQKHL-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1[C@@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CCN1C ZINC000925339217 693259835 /nfs/dbraw/zinc/25/98/35/693259835.db2.gz STJNJPRBLCJXEE-HOTGVXAUSA-N 1 3 324.513 2.423 20 0 DEADHO CC(=O)N1CCC(C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925499992 693283966 /nfs/dbraw/zinc/28/39/66/693283966.db2.gz WAVHSMXEEDPJGF-MSOLQXFVSA-N 1 3 307.482 2.003 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@@H]1NCCCC(=O)N1CCc2ccccc21 ZINC000925599219 693307156 /nfs/dbraw/zinc/30/71/56/693307156.db2.gz XSEQMUMLMKJBCU-HOCLYGCPSA-N 1 3 301.434 2.086 20 0 DEADHO C(N[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@H]1COC2(CCCC2)O1 ZINC000925632166 693313158 /nfs/dbraw/zinc/31/31/58/693313158.db2.gz VMMUKUVXIROUOO-YESZJQIVSA-N 1 3 308.466 2.430 20 0 DEADHO C([NH2+][C@@H]1CCNC[C@H]1C1CCCC1)[C@H]1COC2(CCCC2)O1 ZINC000925632166 693313164 /nfs/dbraw/zinc/31/31/64/693313164.db2.gz VMMUKUVXIROUOO-YESZJQIVSA-N 1 3 308.466 2.430 20 0 DEADHO CCS(=O)(=O)C1(CN[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925706506 693327368 /nfs/dbraw/zinc/32/73/68/693327368.db2.gz KLWGOYUZTIKBQC-HNNXBMFYSA-N 1 3 310.463 2.024 20 0 DEADHO C(N[C@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CCC2(CCC2)CO1 ZINC000925773871 693338772 /nfs/dbraw/zinc/33/87/72/693338772.db2.gz HMQJPBUMKRRARN-QAETUUGQSA-N 1 3 308.466 2.082 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000926277472 693427096 /nfs/dbraw/zinc/42/70/96/693427096.db2.gz JEVOERGRQLNDAX-DUXAOARHSA-N 1 3 324.415 2.046 20 0 DEADHO C[C@H](NC[C@H]1CN(C2CC2)C(=O)O1)c1cccc(C[NH+](C)C)c1 ZINC000926674143 693490722 /nfs/dbraw/zinc/49/07/22/693490722.db2.gz MQMZEKGIUKENCG-GUYCJALGSA-N 1 3 317.433 2.382 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001052368330 693517311 /nfs/dbraw/zinc/51/73/11/693517311.db2.gz JHHQKFHBCFBBJF-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001052368330 693517315 /nfs/dbraw/zinc/51/73/15/693517315.db2.gz JHHQKFHBCFBBJF-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001052897229 693643397 /nfs/dbraw/zinc/64/33/97/693643397.db2.gz HPUUSULKQPCRJO-DZGCQCFKSA-N 1 3 306.454 2.277 20 0 DEADHO CC[C@H](C)C[N@H+]1CCC[C@@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001052897229 693643399 /nfs/dbraw/zinc/64/33/99/693643399.db2.gz HPUUSULKQPCRJO-DZGCQCFKSA-N 1 3 306.454 2.277 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001052897230 693643563 /nfs/dbraw/zinc/64/35/63/693643563.db2.gz HPUUSULKQPCRJO-HIFRSBDPSA-N 1 3 306.454 2.277 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001052897230 693643565 /nfs/dbraw/zinc/64/35/65/693643565.db2.gz HPUUSULKQPCRJO-HIFRSBDPSA-N 1 3 306.454 2.277 20 0 DEADHO CC(C)CC[C@H](O)C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC001335352434 1150399296 /nfs/dbraw/zinc/39/92/96/1150399296.db2.gz WEVICRKYJOGZBS-ZACQAIPSSA-N 1 3 300.487 2.263 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccsc1)C1CC1)N(C)C ZINC001379908980 1152712093 /nfs/dbraw/zinc/71/20/93/1152712093.db2.gz LJHMZOKOZHGGHR-CVEARBPZSA-N 1 3 323.506 2.319 20 0 DEADHO C[NH+](C)CCC(=O)NCC1(NCc2cccc(Cl)c2)CC1 ZINC001380130029 1152753708 /nfs/dbraw/zinc/75/37/08/1152753708.db2.gz DYHXVGNYRGXYNQ-UHFFFAOYSA-N 1 3 309.841 2.030 20 0 DEADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2(N(C)C)CCCC2)C1 ZINC001361857914 1152760050 /nfs/dbraw/zinc/76/00/50/1152760050.db2.gz YGYFCEDMJGMHHM-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C2(N(C)C)CCCC2)C1 ZINC001361857914 1152760053 /nfs/dbraw/zinc/76/00/53/1152760053.db2.gz YGYFCEDMJGMHHM-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CC2CCC(C)CC2)CC1 ZINC001380165248 1152760389 /nfs/dbraw/zinc/76/03/89/1152760389.db2.gz VSACBTHFPTVCAU-UHFFFAOYSA-N 1 3 318.465 2.325 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)C2CCC2)C1 ZINC001380397155 1152806005 /nfs/dbraw/zinc/80/60/05/1152806005.db2.gz IWDZKWORVSWGLW-WMLDXEAASA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H]1CCN(CC(=O)N(CC[NH+](C)C)CC2CCCCC2)C1 ZINC001362160240 1152838420 /nfs/dbraw/zinc/83/84/20/1152838420.db2.gz MPSQBMUGFPYIKG-INIZCTEOSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001380689298 1152844702 /nfs/dbraw/zinc/84/47/02/1152844702.db2.gz ZMOLIDJZOGANJZ-HZPDHXFCSA-N 1 3 311.514 2.447 20 0 DEADHO CCCN(C)CC(=O)NCc1cccc2c1CC[N@H+](CCC)C2 ZINC001380825910 1152861465 /nfs/dbraw/zinc/86/14/65/1152861465.db2.gz SZMNJLWEQTXUQC-UHFFFAOYSA-N 1 3 317.477 2.413 20 0 DEADHO CCCN(C)CC(=O)NCc1cccc2c1CC[N@@H+](CCC)C2 ZINC001380825910 1152861467 /nfs/dbraw/zinc/86/14/67/1152861467.db2.gz SZMNJLWEQTXUQC-UHFFFAOYSA-N 1 3 317.477 2.413 20 0 DEADHO CC[C@@H](F)CN(C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001380956078 1152885299 /nfs/dbraw/zinc/88/52/99/1152885299.db2.gz FCTNSAYCESZZHY-CVEARBPZSA-N 1 3 315.477 2.388 20 0 DEADHO CC[C@@H](F)CN(C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001380956078 1152885300 /nfs/dbraw/zinc/88/53/00/1152885300.db2.gz FCTNSAYCESZZHY-CVEARBPZSA-N 1 3 315.477 2.388 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC2CC(C)(C)C2)[C@@H](C)C1 ZINC001381125239 1152918246 /nfs/dbraw/zinc/91/82/46/1152918246.db2.gz UCQNLWMLIZOIFT-HOCLYGCPSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@@H](C)C[N@H+](C)C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001381299158 1152995477 /nfs/dbraw/zinc/99/54/77/1152995477.db2.gz SBHHHPMRYFXAHI-HZPDHXFCSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C)C[N@@H+](C)C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001381299158 1152995485 /nfs/dbraw/zinc/99/54/85/1152995485.db2.gz SBHHHPMRYFXAHI-HZPDHXFCSA-N 1 3 309.498 2.440 20 0 DEADHO C[NH+](C)[C@@H]1C[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1(C)C ZINC001362827207 1153105737 /nfs/dbraw/zinc/10/57/37/1153105737.db2.gz MDVLTOGVMQLLEE-XNJGSVPQSA-N 1 3 313.461 2.044 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC(C(C)(C)C[NH+](C)C)CC2)C1 ZINC001362866398 1153119787 /nfs/dbraw/zinc/11/97/87/1153119787.db2.gz DBMSLWHOSQFKGX-OAHLLOKOSA-N 1 3 309.498 2.155 20 0 DEADHO Cc1cc(CN(C)[C@H](C)CNC(=O)CC[NH+](C)C)c(C)s1 ZINC001381562727 1153127605 /nfs/dbraw/zinc/12/76/05/1153127605.db2.gz GUQNQFRKVMMEKZ-GFCCVEGCSA-N 1 3 311.495 2.253 20 0 DEADHO C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)[N@H+](C)CCCF ZINC001381585057 1153140843 /nfs/dbraw/zinc/14/08/43/1153140843.db2.gz DLENJDXUIQYCHV-GJZGRUSLSA-N 1 3 301.450 2.047 20 0 DEADHO CC(C)[C@H](CCN(C)C(=O)CN1CCCC1)[NH2+]C/C=C\Cl ZINC001381713261 1153192569 /nfs/dbraw/zinc/19/25/69/1153192569.db2.gz DROBTGHROBBUOR-LYASGUKUSA-N 1 3 315.889 2.297 20 0 DEADHO CC[C@H](C(=O)NC1CC(C[NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001402942086 1162558580 /nfs/dbraw/zinc/55/85/80/1162558580.db2.gz BUHPRISNKJTJRS-BDVYOWHSSA-N 1 3 321.440 2.150 20 0 DEADHO C[C@H](C[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1)CN1CCOCC1 ZINC001363806901 1153641677 /nfs/dbraw/zinc/64/16/77/1153641677.db2.gz SYKPVTVPKDSSBB-KZNAEPCWSA-N 1 3 323.525 2.197 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC[N@@H+]1CC1CCC1 ZINC001388772647 1155084844 /nfs/dbraw/zinc/08/48/44/1155084844.db2.gz ZTXQMGCDCURTNE-BBWFWOEESA-N 1 3 309.498 2.342 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC[N@H+]1CC1CCC1 ZINC001388772647 1155084848 /nfs/dbraw/zinc/08/48/48/1155084848.db2.gz ZTXQMGCDCURTNE-BBWFWOEESA-N 1 3 309.498 2.342 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CCN(CCCF)[C@@H]1C)[NH+](CC)CC ZINC001388793522 1155090281 /nfs/dbraw/zinc/09/02/81/1155090281.db2.gz GTXXQAZIPPQLIS-QLFBSQMISA-N 1 3 301.450 2.045 20 0 DEADHO CCc1ccccc1CN1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001389491026 1155351718 /nfs/dbraw/zinc/35/17/18/1155351718.db2.gz YVOVJDIMQLWJII-SFHVURJKSA-N 1 3 317.477 2.281 20 0 DEADHO CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001389846835 1155451626 /nfs/dbraw/zinc/45/16/26/1155451626.db2.gz MHXVLBSXDQXLRX-KKUMJFAQSA-N 1 3 313.461 2.236 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H](NCc2ccns2)C1)[NH+](CC)CC ZINC001389887666 1155462769 /nfs/dbraw/zinc/46/27/69/1155462769.db2.gz QZGSCKNGCZNWCW-UMVBOHGHSA-N 1 3 324.494 2.000 20 0 DEADHO CC(C)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1)N(C)C ZINC001389946027 1155478914 /nfs/dbraw/zinc/47/89/14/1155478914.db2.gz YYCNJXRTZZLHAO-FBVQUNGASA-N 1 3 321.509 2.484 20 0 DEADHO CC(C)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1)N(C)C ZINC001389946027 1155478917 /nfs/dbraw/zinc/47/89/17/1155478917.db2.gz YYCNJXRTZZLHAO-FBVQUNGASA-N 1 3 321.509 2.484 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001390066428 1155518159 /nfs/dbraw/zinc/51/81/59/1155518159.db2.gz AHPHMBCHZLSREV-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001390070160 1155519637 /nfs/dbraw/zinc/51/96/37/1155519637.db2.gz DZORJAOMIIEUDD-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC1)N(CC)CC ZINC001370897660 1155621284 /nfs/dbraw/zinc/62/12/84/1155621284.db2.gz MOHMTUPBSGZNBJ-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC1CC1)N(CC)CC ZINC001370897660 1155621292 /nfs/dbraw/zinc/62/12/92/1155621292.db2.gz MOHMTUPBSGZNBJ-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]([NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1)c1cccc(F)c1 ZINC001390405785 1155704107 /nfs/dbraw/zinc/70/41/07/1155704107.db2.gz RPNWTNDZHJWDPZ-UONOGXRCSA-N 1 3 321.440 2.465 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)cc1F ZINC001390468380 1155738439 /nfs/dbraw/zinc/73/84/39/1155738439.db2.gz NRVLNJQELJSIRS-RHSMWYFYSA-N 1 3 323.456 2.315 20 0 DEADHO Cc1cccc(C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001390512742 1155778126 /nfs/dbraw/zinc/77/81/26/1155778126.db2.gz XDUQEFFXBXAVTF-WBVHZDCISA-N 1 3 305.466 2.176 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CNC(=O)C2(N(C)C)CCC2)cc1F ZINC001371205400 1155784006 /nfs/dbraw/zinc/78/40/06/1155784006.db2.gz SSSSJDMPRQEIGE-AWEZNQCLSA-N 1 3 321.440 2.213 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cccc(Cl)c1 ZINC001371207391 1155785689 /nfs/dbraw/zinc/78/56/89/1155785689.db2.gz XDYRRGLMMOULAM-CYBMUJFWSA-N 1 3 323.868 2.419 20 0 DEADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]C/C=C\c1ccccc1 ZINC001371213981 1155791329 /nfs/dbraw/zinc/79/13/29/1155791329.db2.gz SKSAIXYPBPMYQU-BJIFSAINSA-N 1 3 315.461 2.278 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)NCc1cncs1 ZINC001371386269 1155840837 /nfs/dbraw/zinc/84/08/37/1155840837.db2.gz OGOOTFWESHGCDW-ZFWWWQNUSA-N 1 3 324.494 2.000 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)NCc1cncs1 ZINC001371386269 1155840840 /nfs/dbraw/zinc/84/08/40/1155840840.db2.gz OGOOTFWESHGCDW-ZFWWWQNUSA-N 1 3 324.494 2.000 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[N@@H+](C)CC1CCCCCC1 ZINC001390855941 1155892609 /nfs/dbraw/zinc/89/26/09/1155892609.db2.gz VTCFAIOCXRJCRY-UHFFFAOYSA-N 1 3 306.454 2.279 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[N@H+](C)CC1CCCCCC1 ZINC001390855941 1155892614 /nfs/dbraw/zinc/89/26/14/1155892614.db2.gz VTCFAIOCXRJCRY-UHFFFAOYSA-N 1 3 306.454 2.279 20 0 DEADHO C[C@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1cccc(F)c1 ZINC001371828942 1156034750 /nfs/dbraw/zinc/03/47/50/1156034750.db2.gz FIAGDSAGDSYLKD-LSDHHAIUSA-N 1 3 321.440 2.152 20 0 DEADHO CC[C@H](C(=O)NC[C@H]([NH2+]CC1CC1)c1ccccc1)N(C)C ZINC001391243804 1156280897 /nfs/dbraw/zinc/28/08/97/1156280897.db2.gz LIRNJBZGFMAMSG-DLBZAZTESA-N 1 3 303.450 2.184 20 0 DEADHO CCN(CCNC(=O)[C@H](C(C)C)[NH+](C)C)Cc1ccc(F)cc1 ZINC001372462179 1156438477 /nfs/dbraw/zinc/43/84/77/1156438477.db2.gz MWZQYAGNWXGNMQ-KRWDZBQOSA-N 1 3 323.456 2.350 20 0 DEADHO CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001391536114 1156506358 /nfs/dbraw/zinc/50/63/58/1156506358.db2.gz GSCAZBMGKIAXNO-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001391536114 1156506365 /nfs/dbraw/zinc/50/63/65/1156506365.db2.gz GSCAZBMGKIAXNO-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]CC1CCC1 ZINC001403166069 1162802832 /nfs/dbraw/zinc/80/28/32/1162802832.db2.gz NQFHFIFSLWNMTQ-AWEZNQCLSA-N 1 3 303.450 2.256 20 0 DEADHO CC[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCc1ccns1 ZINC001391695106 1156704706 /nfs/dbraw/zinc/70/47/06/1156704706.db2.gz PLNLHQBDNSKGFY-KGLIPLIRSA-N 1 3 324.494 2.002 20 0 DEADHO CC[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCc1ccns1 ZINC001391695106 1156704715 /nfs/dbraw/zinc/70/47/15/1156704715.db2.gz PLNLHQBDNSKGFY-KGLIPLIRSA-N 1 3 324.494 2.002 20 0 DEADHO CCCN(CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)Cc1ccsc1 ZINC001372730802 1156716192 /nfs/dbraw/zinc/71/61/92/1156716192.db2.gz YESAXAOUNFYOEI-OAHLLOKOSA-N 1 3 323.506 2.418 20 0 DEADHO CCCN(CCNC(=O)C[N@H+]1CC[C@@H](C)C1)Cc1ccsc1 ZINC001372730802 1156716206 /nfs/dbraw/zinc/71/62/06/1156716206.db2.gz YESAXAOUNFYOEI-OAHLLOKOSA-N 1 3 323.506 2.418 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC(C)C2)CC1)N(C)C ZINC001391831278 1156812232 /nfs/dbraw/zinc/81/22/32/1156812232.db2.gz HZKLQCORKMZETM-SWHNLWLKSA-N 1 3 309.498 2.390 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C(C)C ZINC001392135878 1156873894 /nfs/dbraw/zinc/87/38/94/1156873894.db2.gz BWUQAGKBBZHPRY-OAHLLOKOSA-N 1 3 323.456 2.411 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)CN2CC[C@@H](C)C2)cc1C ZINC001392509551 1157083198 /nfs/dbraw/zinc/08/31/98/1157083198.db2.gz HVZSFFINNAOORV-RHSMWYFYSA-N 1 3 317.477 2.240 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C2CC2)cc1)N(C)C ZINC001392609490 1157206961 /nfs/dbraw/zinc/20/69/61/1157206961.db2.gz XUVYUCFDRBWXQE-KBXCAEBGSA-N 1 3 317.477 2.499 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C1CC1 ZINC001392796435 1157422001 /nfs/dbraw/zinc/42/20/01/1157422001.db2.gz CNMATQAPHWDZBK-GOSISDBHSA-N 1 3 317.477 2.320 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCC(C)C)C[C@H]21)N(C)C ZINC001403395312 1162871703 /nfs/dbraw/zinc/87/17/03/1162871703.db2.gz AMYSFETUHVZKNE-NXOAAHMSSA-N 1 3 309.498 2.057 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CCCC(C)C)C[C@H]21)N(C)C ZINC001403395312 1162871705 /nfs/dbraw/zinc/87/17/05/1162871705.db2.gz AMYSFETUHVZKNE-NXOAAHMSSA-N 1 3 309.498 2.057 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@]2(C1)CCC[N@H+](CCCF)C2 ZINC001392987841 1157590146 /nfs/dbraw/zinc/59/01/46/1157590146.db2.gz YBEJKDLMYBJMDT-QGZVFWFLSA-N 1 3 313.461 2.001 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCCF)C2 ZINC001392987841 1157590158 /nfs/dbraw/zinc/59/01/58/1157590158.db2.gz YBEJKDLMYBJMDT-QGZVFWFLSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCCN2CC)C1 ZINC001403464422 1162890849 /nfs/dbraw/zinc/89/08/49/1162890849.db2.gz UQYNYVIABLFTAO-LUKYLMHMSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)CC[N@H+](C)CC2CCCCC2)C1 ZINC001374536104 1157892070 /nfs/dbraw/zinc/89/20/70/1157892070.db2.gz ICAVKOFMDVISJO-INIZCTEOSA-N 1 3 309.498 2.299 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)CC[N@@H+](C)CC2CCCCC2)C1 ZINC001374536104 1157892072 /nfs/dbraw/zinc/89/20/72/1157892072.db2.gz ICAVKOFMDVISJO-INIZCTEOSA-N 1 3 309.498 2.299 20 0 DEADHO CCC1([NH2+]CC2CCC2)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001393680661 1157900329 /nfs/dbraw/zinc/90/03/29/1157900329.db2.gz NHNOTUQGQKBCFL-INIZCTEOSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cc(C)ccc1C)N(C)C ZINC001374962165 1158132043 /nfs/dbraw/zinc/13/20/43/1158132043.db2.gz OVSMUTTXSWRRTL-RDJZCZTQSA-N 1 3 305.466 2.238 20 0 DEADHO C[C@H](C(=O)NC[C@H](C)[N@H+](C)CCC1CC1)N1CCCCCC1 ZINC001394115566 1158306372 /nfs/dbraw/zinc/30/63/72/1158306372.db2.gz XIQDUZNTNVRIGC-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](C(=O)NC[C@H](C)[N@@H+](C)CCC1CC1)N1CCCCCC1 ZINC001394115566 1158306380 /nfs/dbraw/zinc/30/63/80/1158306380.db2.gz XIQDUZNTNVRIGC-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](CNC(=O)[C@H](C)N1CCCCCC1)[N@H+](C)CCC1CC1 ZINC001394115562 1158307093 /nfs/dbraw/zinc/30/70/93/1158307093.db2.gz XIQDUZNTNVRIGC-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](CNC(=O)[C@H](C)N1CCCCCC1)[N@@H+](C)CCC1CC1 ZINC001394115562 1158307104 /nfs/dbraw/zinc/30/71/04/1158307104.db2.gz XIQDUZNTNVRIGC-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+](C)C[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001375107470 1158321733 /nfs/dbraw/zinc/32/17/33/1158321733.db2.gz ZPYUSJJZQHXORA-CJNGLKHVSA-N 1 3 301.450 2.045 20 0 DEADHO CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001375107470 1158321738 /nfs/dbraw/zinc/32/17/38/1158321738.db2.gz ZPYUSJJZQHXORA-CJNGLKHVSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)C[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCCC1)C1CC1 ZINC001375225211 1158390643 /nfs/dbraw/zinc/39/06/43/1158390643.db2.gz OZCMXQDBYJXJEF-MRXNPFEDSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1ccc(CN2CC([C@H](C)NC(=O)CC[NH+](C)C)C2)c(C)c1 ZINC001394250175 1158395269 /nfs/dbraw/zinc/39/52/69/1158395269.db2.gz MPTFCVPTQADBDQ-INIZCTEOSA-N 1 3 317.477 2.192 20 0 DEADHO CC(C)[NH2+]C[C@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001375255959 1158412510 /nfs/dbraw/zinc/41/25/10/1158412510.db2.gz DKVFQIXIOLJYLN-WMLDXEAASA-N 1 3 313.461 2.092 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccccc1)C1CC1)N(C)C ZINC001375269179 1158419071 /nfs/dbraw/zinc/41/90/71/1158419071.db2.gz JLVUDVALFZHNCQ-SJORKVTESA-N 1 3 303.450 2.011 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCc2ccccc2)C1)N(C)C ZINC001375517315 1158796781 /nfs/dbraw/zinc/79/67/81/1158796781.db2.gz DQTGCHCMFQUNRS-KSZLIROESA-N 1 3 317.477 2.054 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@H](F)CC)C1 ZINC001375538722 1158806733 /nfs/dbraw/zinc/80/67/33/1158806733.db2.gz OARQOBOQAOLNJI-KLHDSHLOSA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCC2CC2)[C@@H]1C)N1CCCC1 ZINC001375672399 1158844540 /nfs/dbraw/zinc/84/45/40/1158844540.db2.gz UFIFQPALVIWNRG-BPQIPLTHSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CCC2CC2)[C@@H]1C)N1CCCC1 ZINC001375672399 1158844541 /nfs/dbraw/zinc/84/45/41/1158844541.db2.gz UFIFQPALVIWNRG-BPQIPLTHSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCC(F)(F)F)C[C@H]1C ZINC001375737167 1158858095 /nfs/dbraw/zinc/85/80/95/1158858095.db2.gz HSWDYHLIOQCXIN-CHWSQXEVSA-N 1 3 323.403 2.248 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2)C[C@H]1C ZINC001375741093 1158858555 /nfs/dbraw/zinc/85/85/55/1158858555.db2.gz PBLCWULLSRAKFM-AEFFLSMTSA-N 1 3 317.477 2.496 20 0 DEADHO C[C@@H](F)CC[NH2+][C@H](C)CN(C)C(=O)C(C)(C)N1CCCCC1 ZINC001403547428 1162989364 /nfs/dbraw/zinc/98/93/64/1162989364.db2.gz DEIDHOAPLJYRFS-HUUCEWRRSA-N 1 3 315.477 2.436 20 0 DEADHO CC[NH2+]C[C@@]1(C)CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001375892761 1158934980 /nfs/dbraw/zinc/93/49/80/1158934980.db2.gz DPURWVFAZXRPKH-GOSISDBHSA-N 1 3 303.450 2.210 20 0 DEADHO Cc1ccccc1CN(C)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001403562028 1163003773 /nfs/dbraw/zinc/00/37/73/1163003773.db2.gz NETZAYMQAMOOJV-GOSISDBHSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1ccccc1CN(C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001403562028 1163003775 /nfs/dbraw/zinc/00/37/75/1163003775.db2.gz NETZAYMQAMOOJV-GOSISDBHSA-N 1 3 317.477 2.416 20 0 DEADHO CN(CC(=O)NCC[N@H+](C)CCC1CCCCC1)C1CCC1 ZINC001403575002 1163014791 /nfs/dbraw/zinc/01/47/91/1163014791.db2.gz KAKUFZXABVTDST-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CN(CC(=O)NCC[N@@H+](C)CCC1CCCCC1)C1CCC1 ZINC001403575002 1163014801 /nfs/dbraw/zinc/01/48/01/1163014801.db2.gz KAKUFZXABVTDST-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]([NH2+]Cc2ccccc2)C2CC2)C1 ZINC001376252225 1159294035 /nfs/dbraw/zinc/29/40/35/1159294035.db2.gz LILXGOKPZXFGDW-QAPCUYQASA-N 1 3 315.461 2.013 20 0 DEADHO CN(CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2)C1)CC(C)(C)C ZINC001376331026 1159340860 /nfs/dbraw/zinc/34/08/60/1159340860.db2.gz NJZVARMDKUIZOJ-KRWDZBQOSA-N 1 3 317.477 2.355 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001376404845 1159390906 /nfs/dbraw/zinc/39/09/06/1159390906.db2.gz GGOREIAFGKCHGD-AKFGQJDVSA-N 1 3 315.461 2.277 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1([NH2+]Cc2ccsc2)CCC1)N(C)C ZINC001376811150 1159809778 /nfs/dbraw/zinc/80/97/78/1159809778.db2.gz VXYOKNASLHENQJ-HNNXBMFYSA-N 1 3 323.506 2.463 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001376959170 1159857005 /nfs/dbraw/zinc/85/70/05/1159857005.db2.gz ZUJASBMNWCQAHG-INIZCTEOSA-N 1 3 321.440 2.106 20 0 DEADHO CCc1ccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001376963933 1159858330 /nfs/dbraw/zinc/85/83/30/1159858330.db2.gz AZDCLZXSROPPBE-SFHVURJKSA-N 1 3 317.477 2.280 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001397136826 1160012526 /nfs/dbraw/zinc/01/25/26/1160012526.db2.gz RLEDSLZFAUXAKA-XIRDDKMYSA-N 1 3 323.525 2.493 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[N@H+](C)CCCC2CCCC2)C1 ZINC001403681230 1163088319 /nfs/dbraw/zinc/08/83/19/1163088319.db2.gz ILPJWNDBOVCKFF-MRXNPFEDSA-N 1 3 309.498 2.347 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[N@@H+](C)CCCC2CCCC2)C1 ZINC001403681230 1163088326 /nfs/dbraw/zinc/08/83/26/1163088326.db2.gz ILPJWNDBOVCKFF-MRXNPFEDSA-N 1 3 309.498 2.347 20 0 DEADHO CC[C@H](C)C[N@H+](C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001403686141 1163090695 /nfs/dbraw/zinc/09/06/95/1163090695.db2.gz MPQQJNUTNYZEDD-WMLDXEAASA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@H](C)C[N@@H+](C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001403686141 1163090701 /nfs/dbraw/zinc/09/07/01/1163090701.db2.gz MPQQJNUTNYZEDD-WMLDXEAASA-N 1 3 315.477 2.293 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1[C@@H]2CCC[N@H+](CC3CC3)[C@H]2C1(C)C ZINC001397748476 1160440190 /nfs/dbraw/zinc/44/01/90/1160440190.db2.gz VODASRCENGBYGY-CGTJXYLNSA-N 1 3 321.509 2.343 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1[C@@H]2CCC[N@@H+](CC3CC3)[C@H]2C1(C)C ZINC001397748476 1160440194 /nfs/dbraw/zinc/44/01/94/1160440194.db2.gz VODASRCENGBYGY-CGTJXYLNSA-N 1 3 321.509 2.343 20 0 DEADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001377714621 1160776358 /nfs/dbraw/zinc/77/63/58/1160776358.db2.gz CFZJYRQQXLODAC-SFHVURJKSA-N 1 3 317.477 2.357 20 0 DEADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001377714621 1160776362 /nfs/dbraw/zinc/77/63/62/1160776362.db2.gz CFZJYRQQXLODAC-SFHVURJKSA-N 1 3 317.477 2.357 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC001377829003 1160841163 /nfs/dbraw/zinc/84/11/63/1160841163.db2.gz RLOQNCUJNMVOOI-KBPBESRZSA-N 1 3 321.440 2.293 20 0 DEADHO CC[C@H](C(=O)N(C)C1CCC([NH2+]CC2CCC2)CC1)N(C)C ZINC001377915480 1160870953 /nfs/dbraw/zinc/87/09/53/1160870953.db2.gz VXHZCYSSFZZUDV-OFLPRAFFSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(C)cc1)C1CC1)N(C)C ZINC001398397742 1160876569 /nfs/dbraw/zinc/87/65/69/1160876569.db2.gz QMCPZLDIWMWNDV-QZTJIDSGSA-N 1 3 317.477 2.320 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001398536539 1160956169 /nfs/dbraw/zinc/95/61/69/1160956169.db2.gz XEJZFIDWYJPQOZ-INIZCTEOSA-N 1 3 323.868 2.371 20 0 DEADHO Cc1ccc(CC[NH2+][C@@H](C)CNC(=O)CN(C)C2CCC2)cc1 ZINC001398957444 1161167151 /nfs/dbraw/zinc/16/71/51/1161167151.db2.gz UNQYUZVHWWGWEQ-INIZCTEOSA-N 1 3 317.477 2.116 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001399123339 1161248578 /nfs/dbraw/zinc/24/85/78/1161248578.db2.gz YTEONBCEIHAYMM-KBPBESRZSA-N 1 3 309.429 2.323 20 0 DEADHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC1CCCCC1 ZINC001399392816 1161376487 /nfs/dbraw/zinc/37/64/87/1161376487.db2.gz LMBKQIJITRGUBB-HZPDHXFCSA-N 1 3 309.498 2.393 20 0 DEADHO Cc1cc(C[N@H+]2CC[C@@H](CNC(=O)CN(C)C(C)C)C2)cs1 ZINC001399931313 1161610683 /nfs/dbraw/zinc/61/06/83/1161610683.db2.gz JQICUVTVAAMJJF-HNNXBMFYSA-N 1 3 323.506 2.335 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC001400290009 1161709645 /nfs/dbraw/zinc/70/96/45/1161709645.db2.gz NRWNCOSXAXOWJT-GOSISDBHSA-N 1 3 317.477 2.152 20 0 DEADHO C[C@H](C[NH2+]Cc1ccc(Cl)cc1)N(C)C(=O)CN1CCCC1 ZINC001401260791 1161907798 /nfs/dbraw/zinc/90/77/98/1161907798.db2.gz OTIXPZAQLINOGO-CQSZACIVSA-N 1 3 323.868 2.372 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCC2CC2)C1 ZINC001401292075 1161917318 /nfs/dbraw/zinc/91/73/18/1161917318.db2.gz HTFCPTJNHOWLGN-DOTOQJQBSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]CC1CCCC1 ZINC001401336107 1161936253 /nfs/dbraw/zinc/93/62/53/1161936253.db2.gz PNGIGJOWYRLVRP-DLBZAZTESA-N 1 3 311.514 2.493 20 0 DEADHO CN(CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC2CC2)C1)CC(C)(C)C ZINC001401496852 1162020696 /nfs/dbraw/zinc/02/06/96/1162020696.db2.gz PTGBBKVXXQRDFJ-DLBZAZTESA-N 1 3 321.509 2.297 20 0 DEADHO CN(CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC2CC2)C1)CC(C)(C)C ZINC001401496852 1162020700 /nfs/dbraw/zinc/02/07/00/1162020700.db2.gz PTGBBKVXXQRDFJ-DLBZAZTESA-N 1 3 321.509 2.297 20 0 DEADHO C[C@H](C[NH2+]CC1CCC2(CC2)CC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001401645736 1162057604 /nfs/dbraw/zinc/05/76/04/1162057604.db2.gz AZVUKZMJXBKXFJ-HZPDHXFCSA-N 1 3 321.509 2.393 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)CN2CC[C@H](C)C2)cc1F ZINC001401649507 1162059640 /nfs/dbraw/zinc/05/96/40/1162059640.db2.gz XHKSOXXTQABVNS-DZGCQCFKSA-N 1 3 321.440 2.070 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]Cc1ccccc1)C1CC1 ZINC001401879942 1162163905 /nfs/dbraw/zinc/16/39/05/1162163905.db2.gz UZXBIQZOMTXMQA-KRWDZBQOSA-N 1 3 303.450 2.011 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC1 ZINC001401999622 1162211895 /nfs/dbraw/zinc/21/18/95/1162211895.db2.gz OBQYIHYYPHLZOT-CALCHBBNSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC1 ZINC001401999622 1162211898 /nfs/dbraw/zinc/21/18/98/1162211898.db2.gz OBQYIHYYPHLZOT-CALCHBBNSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001404101941 1163447852 /nfs/dbraw/zinc/44/78/52/1163447852.db2.gz XYDHTHSUAYJSTJ-JKSUJKDBSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001404101941 1163447855 /nfs/dbraw/zinc/44/78/55/1163447855.db2.gz XYDHTHSUAYJSTJ-JKSUJKDBSA-N 1 3 309.498 2.203 20 0 DEADHO Cc1cccc(C[N@@H+](CCNC(=O)CN(C)C(C)C)C2CC2)c1 ZINC001404298920 1163568278 /nfs/dbraw/zinc/56/82/78/1163568278.db2.gz QHAATPXGSDVIKC-UHFFFAOYSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1cccc(C[N@H+](CCNC(=O)CN(C)C(C)C)C2CC2)c1 ZINC001404298920 1163568287 /nfs/dbraw/zinc/56/82/87/1163568287.db2.gz QHAATPXGSDVIKC-UHFFFAOYSA-N 1 3 317.477 2.416 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC[C@@H]2CC[N@H+](CCF)C2)c1 ZINC001404539575 1163701422 /nfs/dbraw/zinc/70/14/22/1163701422.db2.gz BVVJIMYKTMSQQS-OAHLLOKOSA-N 1 3 321.440 2.160 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC[C@@H]2CC[N@@H+](CCF)C2)c1 ZINC001404539575 1163701429 /nfs/dbraw/zinc/70/14/29/1163701429.db2.gz BVVJIMYKTMSQQS-OAHLLOKOSA-N 1 3 321.440 2.160 20 0 DEADHO CC[C@@H](CNC(=O)CC[NH+](C)C)NCc1cc(C)ccc1F ZINC001405290849 1164042640 /nfs/dbraw/zinc/04/26/40/1164042640.db2.gz RWQRWKNHMWWWGD-HNNXBMFYSA-N 1 3 309.429 2.070 20 0 DEADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccc(C)nc1C ZINC001405370041 1164066363 /nfs/dbraw/zinc/06/63/63/1164066363.db2.gz MNYRHKUILAQCBY-QGZVFWFLSA-N 1 3 320.481 2.023 20 0 DEADHO CC[C@@H](F)C[NH2+]CC1(NC(=O)CN(C)C(C)C)CCCC1 ZINC001405402714 1164072608 /nfs/dbraw/zinc/07/26/08/1164072608.db2.gz FEAPCDPJFOFDIA-CQSZACIVSA-N 1 3 301.450 2.093 20 0 DEADHO CC[C@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001405518557 1164131650 /nfs/dbraw/zinc/13/16/50/1164131650.db2.gz ARSSCEOQQFXJHR-KKUMJFAQSA-N 1 3 301.450 2.092 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CC(C)C2)CC1 ZINC001405528371 1164136423 /nfs/dbraw/zinc/13/64/23/1164136423.db2.gz XWMDPKLJHMSVKI-GWEOLNPGSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001405607987 1164160641 /nfs/dbraw/zinc/16/06/41/1164160641.db2.gz RYIIURDUELKYFV-QGZVFWFLSA-N 1 3 321.440 2.247 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]CC1CCC2(CC2)CC1)N(C)C ZINC001406374016 1164558877 /nfs/dbraw/zinc/55/88/77/1164558877.db2.gz DATPSTFPFXKGMV-GDBMZVCRSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+][C@H]1CCCc2ccccc21 ZINC001406430375 1164594259 /nfs/dbraw/zinc/59/42/59/1164594259.db2.gz KALBAWHBKAHLLC-QAPCUYQASA-N 1 3 317.477 2.499 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)c(C)c1 ZINC001406479851 1164632536 /nfs/dbraw/zinc/63/25/36/1164632536.db2.gz JSCXYQOJYTUGBA-WMZOPIPTSA-N 1 3 319.493 2.484 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCc2ccc(F)cc21)N(C)C ZINC001406529495 1164657868 /nfs/dbraw/zinc/65/78/68/1164657868.db2.gz MMWDJUSRXKKYPB-VUCTXSBTSA-N 1 3 321.440 2.248 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)C[N@H+](C)CC1CC(C)(C)C1)N(C)C ZINC001406604107 1164723661 /nfs/dbraw/zinc/72/36/61/1164723661.db2.gz NGGSNPAYECBPDE-ZBFHGGJFSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CC1CC(C)(C)C1)N(C)C ZINC001406604107 1164723665 /nfs/dbraw/zinc/72/36/65/1164723665.db2.gz NGGSNPAYECBPDE-ZBFHGGJFSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CCN1CC1CCCC1)[NH+]1CCCC1 ZINC001406896872 1164873912 /nfs/dbraw/zinc/87/39/12/1164873912.db2.gz OEIFZAMABAVMMS-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)C1(C(=O)NCC2(C)CC[NH+](CCC3CC3)CC2)CCC1 ZINC001407258613 1165069814 /nfs/dbraw/zinc/06/98/14/1165069814.db2.gz LQLZYXRGMYECAX-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CC2CCC2)C3)CCC1 ZINC001407468602 1165159457 /nfs/dbraw/zinc/15/94/57/1165159457.db2.gz DKAJUWFQBDREKK-BBWFWOEESA-N 1 3 319.493 2.240 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC2CCC2)C3)CCC1 ZINC001407468602 1165159461 /nfs/dbraw/zinc/15/94/61/1165159461.db2.gz DKAJUWFQBDREKK-BBWFWOEESA-N 1 3 319.493 2.240 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)N(C)C ZINC001407538836 1165188973 /nfs/dbraw/zinc/18/89/73/1165188973.db2.gz WQAKWYSQHWRMSD-XMTFNYHQSA-N 1 3 321.509 2.342 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)N(C)C ZINC001407538836 1165188978 /nfs/dbraw/zinc/18/89/78/1165188978.db2.gz WQAKWYSQHWRMSD-XMTFNYHQSA-N 1 3 321.509 2.342 20 0 DEADHO C[NH+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CCN2Cc1ccsc1 ZINC001407654246 1165242897 /nfs/dbraw/zinc/24/28/97/1165242897.db2.gz HUZUUXXBLHWZSX-HOTGVXAUSA-N 1 3 321.490 2.265 20 0 DEADHO CN(CC(=O)NCC1([NH2+]CC2CCC2)CCC1)CC(C)(C)C ZINC001407803170 1165320178 /nfs/dbraw/zinc/32/01/78/1165320178.db2.gz OGKKKLHCSBDXRT-UHFFFAOYSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1(NCCF)CCC1)[NH+]1CCCCC1 ZINC001407820037 1165329222 /nfs/dbraw/zinc/32/92/22/1165329222.db2.gz JRHJGLGKXAPCIQ-HNNXBMFYSA-N 1 3 313.461 2.095 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)CC[NH+](C)C)CCN1Cc1ccc(F)cc1 ZINC001408181832 1165521966 /nfs/dbraw/zinc/52/19/66/1165521966.db2.gz KVZJZJZTOYAAIV-RHSMWYFYSA-N 1 3 321.440 2.247 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC(C)C)N(C)C ZINC001408309880 1165581300 /nfs/dbraw/zinc/58/13/00/1165581300.db2.gz QBBNSJHYGIATRO-KZNAEPCWSA-N 1 3 317.477 2.354 20 0 DEADHO CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001408359410 1165613730 /nfs/dbraw/zinc/61/37/30/1165613730.db2.gz YRIXJRFOQLFLTG-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001408359410 1165613733 /nfs/dbraw/zinc/61/37/33/1165613733.db2.gz YRIXJRFOQLFLTG-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001417759022 1167191932 /nfs/dbraw/zinc/19/19/32/1167191932.db2.gz XJDQZKZPDBPLJO-DOTOQJQBSA-N 1 3 303.450 2.232 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001417762086 1167195081 /nfs/dbraw/zinc/19/50/81/1167195081.db2.gz LQMNAHURDVVEPX-WCVJEAGWSA-N 1 3 313.461 2.092 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)CCC[NH+](C)C)C2)cc1C ZINC001417942948 1167318521 /nfs/dbraw/zinc/31/85/21/1167318521.db2.gz GCMAEKMTHMKIQR-GOSISDBHSA-N 1 3 317.477 2.336 20 0 DEADHO Cc1ccc(C)c(CN(C)CCNC(=O)C2CC[NH+](C)CC2)c1 ZINC001418494460 1167714412 /nfs/dbraw/zinc/71/44/12/1167714412.db2.gz MOEVWXMMOCUMAO-UHFFFAOYSA-N 1 3 317.477 2.193 20 0 DEADHO CC[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001418619389 1167847328 /nfs/dbraw/zinc/84/73/28/1167847328.db2.gz TUBAGRZEVFCKRK-NXOAAHMSSA-N 1 3 309.498 2.390 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CC(C)C ZINC001418738268 1167929853 /nfs/dbraw/zinc/92/98/53/1167929853.db2.gz JKLGATGPHJHDRD-FJIDUMEYSA-N 1 3 321.509 2.153 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CC(C)C ZINC001418738268 1167929859 /nfs/dbraw/zinc/92/98/59/1167929859.db2.gz JKLGATGPHJHDRD-FJIDUMEYSA-N 1 3 321.509 2.153 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[N@H+](CC2CCCC2)C2CC2)C1 ZINC001418790309 1167962150 /nfs/dbraw/zinc/96/21/50/1167962150.db2.gz UVCVUJPGFQPZPZ-HNNXBMFYSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[N@@H+](CC2CCCC2)C2CC2)C1 ZINC001418790309 1167962153 /nfs/dbraw/zinc/96/21/53/1167962153.db2.gz UVCVUJPGFQPZPZ-HNNXBMFYSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1)N(C)C ZINC001419179867 1168297103 /nfs/dbraw/zinc/29/71/03/1168297103.db2.gz MRQJUZOGKRLDJC-IRXDYDNUSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1)N(C)C ZINC001419179867 1168297107 /nfs/dbraw/zinc/29/71/07/1168297107.db2.gz MRQJUZOGKRLDJC-IRXDYDNUSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)N1CCCC1 ZINC001419188901 1168302269 /nfs/dbraw/zinc/30/22/69/1168302269.db2.gz IOOVGZAKOCEGIO-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)N1CCCC1 ZINC001419188901 1168302275 /nfs/dbraw/zinc/30/22/75/1168302275.db2.gz IOOVGZAKOCEGIO-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1cccc(F)c1 ZINC001419276785 1168367337 /nfs/dbraw/zinc/36/73/37/1168367337.db2.gz VPSUOXNSKWHNKM-MRXNPFEDSA-N 1 3 309.429 2.150 20 0 DEADHO CC(C)C[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001419413014 1168454921 /nfs/dbraw/zinc/45/49/21/1168454921.db2.gz MQBSJEOFIPNWPA-QAETUUGQSA-N 1 3 309.498 2.247 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1F)N(C)C ZINC001419474911 1168518545 /nfs/dbraw/zinc/51/85/45/1168518545.db2.gz PBBSQGFVGIJOOV-YOEHRIQHSA-N 1 3 323.456 2.254 20 0 DEADHO CCc1ccc(C[NH2+][C@H](C)CNC(=O)CN(C)C2CCC2)cc1 ZINC001419777255 1168841667 /nfs/dbraw/zinc/84/16/67/1168841667.db2.gz OGIQNZMIDJFRPX-OAHLLOKOSA-N 1 3 317.477 2.328 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)cc1C ZINC001419843694 1168869953 /nfs/dbraw/zinc/86/99/53/1168869953.db2.gz SYRATMHBPIGSEZ-SJLPKXTDSA-N 1 3 319.493 2.484 20 0 DEADHO CC(C)[C@H](CNC(=O)[C@@H]1CCCCN1C(C)C)[NH2+]CC1CC1 ZINC001419897046 1168896630 /nfs/dbraw/zinc/89/66/30/1168896630.db2.gz AUIARHSIXHJKRH-IRXDYDNUSA-N 1 3 309.498 2.390 20 0 DEADHO CC[C@H](F)C[NH2+][C@@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001419930073 1168949300 /nfs/dbraw/zinc/94/93/00/1168949300.db2.gz NZNVXMVWQMPIAO-BBRMVZONSA-N 1 3 309.429 2.204 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001419930087 1168949821 /nfs/dbraw/zinc/94/98/21/1168949821.db2.gz NZNVXMVWQMPIAO-CZUORRHYSA-N 1 3 309.429 2.204 20 0 DEADHO CC(C)C[C@H](C)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001420008226 1169055721 /nfs/dbraw/zinc/05/57/21/1169055721.db2.gz DSEJISHQASDDBO-IRXDYDNUSA-N 1 3 309.498 2.203 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]C/C=C/Cl)C1 ZINC001420010797 1169059177 /nfs/dbraw/zinc/05/91/77/1169059177.db2.gz CADWPEPRERQQGN-VTDTZARESA-N 1 3 301.862 2.098 20 0 DEADHO CCc1cccc(C[N@H+](C)CCN(C)C(=O)CN2CCCC2)c1 ZINC001420048976 1169107166 /nfs/dbraw/zinc/10/71/66/1169107166.db2.gz GVCRKVCCQXWHTR-UHFFFAOYSA-N 1 3 317.477 2.235 20 0 DEADHO CCc1cccc(C[N@@H+](C)CCN(C)C(=O)CN2CCCC2)c1 ZINC001420048976 1169107178 /nfs/dbraw/zinc/10/71/78/1169107178.db2.gz GVCRKVCCQXWHTR-UHFFFAOYSA-N 1 3 317.477 2.235 20 0 DEADHO Cc1cccc(C[NH2+][C@H](C)CCNC(=O)CN(C)C(C)C)c1 ZINC001420161915 1169203670 /nfs/dbraw/zinc/20/36/70/1169203670.db2.gz DQZZGARRFBNLAL-MRXNPFEDSA-N 1 3 305.466 2.320 20 0 DEADHO C[C@@H](CN(C)Cc1cccc(F)c1)NC(=O)CCC[NH+](C)C ZINC001420609648 1169826795 /nfs/dbraw/zinc/82/67/95/1169826795.db2.gz JTRYTEVBNZEKDV-AWEZNQCLSA-N 1 3 309.429 2.104 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2)C[C@@H]1C ZINC001421102906 1171494609 /nfs/dbraw/zinc/49/46/09/1171494609.db2.gz KFIIKGCVPZNFMQ-WMZOPIPTSA-N 1 3 317.477 2.498 20 0 DEADHO CC[N@H+](C)CCC(=O)NCC1CN([C@H](C)c2ccccc2)C1 ZINC001421165450 1171545413 /nfs/dbraw/zinc/54/54/13/1171545413.db2.gz BQBGMCQHIGBZNW-OAHLLOKOSA-N 1 3 303.450 2.137 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCC1CN([C@H](C)c2ccccc2)C1 ZINC001421165450 1171545426 /nfs/dbraw/zinc/54/54/26/1171545426.db2.gz BQBGMCQHIGBZNW-OAHLLOKOSA-N 1 3 303.450 2.137 20 0 DEADHO CC(C)[N@@H+]1CC[C@@](C)(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001421222154 1171603199 /nfs/dbraw/zinc/60/31/99/1171603199.db2.gz NFDPJXFKKNGOOS-IAGOWNOFSA-N 1 3 313.461 2.188 20 0 DEADHO CC(C)[N@H+]1CC[C@@](C)(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001421222154 1171603206 /nfs/dbraw/zinc/60/32/06/1171603206.db2.gz NFDPJXFKKNGOOS-IAGOWNOFSA-N 1 3 313.461 2.188 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1(NC/C=C/Cl)CCC1 ZINC001421756332 1171965862 /nfs/dbraw/zinc/96/58/62/1171965862.db2.gz UPUCWSXEQSNDED-LZTOIUFZSA-N 1 3 313.873 2.242 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCC1(NC/C=C/Cl)CCC1 ZINC001421756332 1171965871 /nfs/dbraw/zinc/96/58/71/1171965871.db2.gz UPUCWSXEQSNDED-LZTOIUFZSA-N 1 3 313.873 2.242 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C)cc1C)N(C)C ZINC001421756417 1171968450 /nfs/dbraw/zinc/96/84/50/1171968450.db2.gz DPGVGRINXYZDMX-CRAIPNDOSA-N 1 3 319.493 2.486 20 0 DEADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1NCc1ccccc1F ZINC001422038775 1172247856 /nfs/dbraw/zinc/24/78/56/1172247856.db2.gz HSHSSIKJKOMSIC-PBHICJAKSA-N 1 3 321.440 2.104 20 0 DEADHO CC(C)[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]CCC(F)(F)F ZINC001422097604 1172301366 /nfs/dbraw/zinc/30/13/66/1172301366.db2.gz PHIVGNWSPOWUMY-CYBMUJFWSA-N 1 3 323.403 2.154 20 0 DEADHO Cc1ccc(C[N@@H+](C)CCN(C)C(=O)[C@H]2CCCCN2C)cc1 ZINC001422177316 1172374206 /nfs/dbraw/zinc/37/42/06/1172374206.db2.gz UVMQEEYWWIAHDI-GOSISDBHSA-N 1 3 317.477 2.370 20 0 DEADHO Cc1ccc(C[N@H+](C)CCN(C)C(=O)[C@H]2CCCCN2C)cc1 ZINC001422177316 1172374208 /nfs/dbraw/zinc/37/42/08/1172374208.db2.gz UVMQEEYWWIAHDI-GOSISDBHSA-N 1 3 317.477 2.370 20 0 DEADHO CC(C)N1CCc2ccccc2[C@@H]1CNC(=O)CC[NH+](C)C ZINC001422178687 1172375748 /nfs/dbraw/zinc/37/57/48/1172375748.db2.gz PAYMVKUNPCEIGY-KRWDZBQOSA-N 1 3 303.450 2.062 20 0 DEADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc(F)c(OC)c2)CC1 ZINC001422621200 1172770817 /nfs/dbraw/zinc/77/08/17/1172770817.db2.gz ZTMTXQORGRDSRX-OAHLLOKOSA-N 1 3 323.456 2.198 20 0 DEADHO COCc1ccc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC001422669861 1172802043 /nfs/dbraw/zinc/80/20/43/1172802043.db2.gz WCJZEMJJQFAECA-SFHVURJKSA-N 1 3 318.461 2.424 20 0 DEADHO CC[C@@H](F)CN1CCCCC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001422714248 1172825958 /nfs/dbraw/zinc/82/59/58/1172825958.db2.gz FTGWTNDNJSGPRO-HZPDHXFCSA-N 1 3 315.477 2.437 20 0 DEADHO CC[C@@H](F)CN1CCCCC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001422714248 1172825965 /nfs/dbraw/zinc/82/59/65/1172825965.db2.gz FTGWTNDNJSGPRO-HZPDHXFCSA-N 1 3 315.477 2.437 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](CC2CC(C)(C)C2)C1)N(C)C ZINC001422737563 1172836346 /nfs/dbraw/zinc/83/63/46/1172836346.db2.gz IJMXIQURMXTGSR-BBRMVZONSA-N 1 3 309.498 2.199 20 0 DEADHO C[C@H](NC(=O)C(C)(C)N1CCCC1)C1C[NH+](CC2CC(C)C2)C1 ZINC001422738657 1172837137 /nfs/dbraw/zinc/83/71/37/1172837137.db2.gz IXSOBFIXDYTEGZ-PCKAHOCUSA-N 1 3 321.509 2.343 20 0 DEADHO C[C@@H](NC(=O)CN1CC[C@@H](C)C1)C1C[NH+](CCCC2CCC2)C1 ZINC001422751070 1172842692 /nfs/dbraw/zinc/84/26/92/1172842692.db2.gz LUXMKKGCLHSOIZ-HZPDHXFCSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001422935579 1172956158 /nfs/dbraw/zinc/95/61/58/1172956158.db2.gz MCTOANUTRGBYLZ-JKSUJKDBSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CCC1CC1 ZINC001423136097 1173105070 /nfs/dbraw/zinc/10/50/70/1173105070.db2.gz ZYTDJOLZDCCFOA-DOTOQJQBSA-N 1 3 309.498 2.486 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCc2cccs2)[C@@H]1C ZINC001423327251 1173244793 /nfs/dbraw/zinc/24/47/93/1173244793.db2.gz LWXNSWQBHNIPGQ-GOEBONIOSA-N 1 3 323.506 2.211 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C1CC[NH+](CC[C@@H](C)F)CC1 ZINC001423666305 1173476922 /nfs/dbraw/zinc/47/69/22/1173476922.db2.gz MXJYQLUCVSTHRL-CABCVRRESA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+][C@@H]1CCc2ccccc21)N(C)C ZINC001424582144 1173840828 /nfs/dbraw/zinc/84/08/28/1173840828.db2.gz FBAKDGBDNMVJIJ-BMGDILEWSA-N 1 3 317.477 2.499 20 0 DEADHO C[C@H](NCc1ccns1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001424828400 1173966797 /nfs/dbraw/zinc/96/67/97/1173966797.db2.gz SZDAQDACRKVUMA-STQMWFEESA-N 1 3 324.494 2.000 20 0 DEADHO C[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)[N@H+](C)CC1CCC1 ZINC001425022855 1174120789 /nfs/dbraw/zinc/12/07/89/1174120789.db2.gz GFFRHYSSBVNTSS-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21)N(C)C ZINC001425374900 1174300581 /nfs/dbraw/zinc/30/05/81/1174300581.db2.gz JTVWEFWDEFKXRB-NXOAAHMSSA-N 1 3 323.525 2.303 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21)N(C)C ZINC001425374900 1174300589 /nfs/dbraw/zinc/30/05/89/1174300589.db2.gz JTVWEFWDEFKXRB-NXOAAHMSSA-N 1 3 323.525 2.303 20 0 DEADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCc2ccccc2F)C[C@H]1C ZINC001425915958 1174510432 /nfs/dbraw/zinc/51/04/32/1174510432.db2.gz NUDNYLJCGYBZME-GDBMZVCRSA-N 1 3 321.440 2.247 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCc2ccccc2F)C[C@H]1C ZINC001425915958 1174510440 /nfs/dbraw/zinc/51/04/40/1174510440.db2.gz NUDNYLJCGYBZME-GDBMZVCRSA-N 1 3 321.440 2.247 20 0 DEADHO CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]21 ZINC001425917652 1174512086 /nfs/dbraw/zinc/51/20/86/1174512086.db2.gz IORRPIYTZODKSM-HRCADAONSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@@H](F)C[NH2+]C1CC(N(C)C(=O)CN2CCC(C)CC2)C1 ZINC001426229153 1174660763 /nfs/dbraw/zinc/66/07/63/1174660763.db2.gz DIDDDFYAIWGHED-QQFBHYJXSA-N 1 3 313.461 2.045 20 0 DEADHO CCN1CCC(C[N@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC001434519603 1178745600 /nfs/dbraw/zinc/74/56/00/1178745600.db2.gz GTPHFNFNBYCXDU-HOTGVXAUSA-N 1 3 316.511 2.006 20 0 DEADHO CCN1CCC(C[N@@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC001434519603 1178745623 /nfs/dbraw/zinc/74/56/23/1178745623.db2.gz GTPHFNFNBYCXDU-HOTGVXAUSA-N 1 3 316.511 2.006 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[N@H+](C)CC1CCC1 ZINC001436497130 1179151829 /nfs/dbraw/zinc/15/18/29/1179151829.db2.gz VPHZKNPBOJOJDT-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CCC1 ZINC001436497130 1179151835 /nfs/dbraw/zinc/15/18/35/1179151835.db2.gz VPHZKNPBOJOJDT-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC12CC[NH+](CC1CC(C)C1)CC2 ZINC001436765229 1179225795 /nfs/dbraw/zinc/22/57/95/1179225795.db2.gz RPSVDDBDTVONHN-OFLPRAFFSA-N 1 3 321.509 2.345 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001437253456 1179661005 /nfs/dbraw/zinc/66/10/05/1179661005.db2.gz YQWACOSJDUYONB-CXAGYDPISA-N 1 3 321.440 2.249 20 0 DEADHO Cc1cc(C[NH2+][C@@H](C)CNC(=O)CN(C)C(C)C)c(C)s1 ZINC001437263011 1179675928 /nfs/dbraw/zinc/67/59/28/1179675928.db2.gz RAYHMLNPEJPCET-LBPRGKRZSA-N 1 3 311.495 2.299 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](C)[C@H](C)c1ccccc1C)N(C)C ZINC001437487705 1179820772 /nfs/dbraw/zinc/82/07/72/1179820772.db2.gz WTJVHNOKTZKREH-NVXWUHKLSA-N 1 3 305.466 2.444 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](C)[C@H](C)c1ccccc1C)N(C)C ZINC001437487705 1179820774 /nfs/dbraw/zinc/82/07/74/1179820774.db2.gz WTJVHNOKTZKREH-NVXWUHKLSA-N 1 3 305.466 2.444 20 0 DEADHO C[C@H](F)CC[N@@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001437919671 1180079103 /nfs/dbraw/zinc/07/91/03/1180079103.db2.gz CKRPPMWLXYUXDF-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H](F)CC[N@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001437919671 1180079113 /nfs/dbraw/zinc/07/91/13/1180079113.db2.gz CKRPPMWLXYUXDF-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO C[N@H+](C/C=C\Cl)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001438005315 1180152353 /nfs/dbraw/zinc/15/23/53/1180152353.db2.gz QCARMECRAURSNK-DAXSKMNVSA-N 1 3 313.873 2.005 20 0 DEADHO C[N@@H+](C/C=C\Cl)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001438005315 1180152358 /nfs/dbraw/zinc/15/23/58/1180152358.db2.gz QCARMECRAURSNK-DAXSKMNVSA-N 1 3 313.873 2.005 20 0 DEADHO CC[C@H](CNC(=O)CC[NH+](C)C)NCc1sccc1Cl ZINC001438330668 1180345119 /nfs/dbraw/zinc/34/51/19/1180345119.db2.gz NXKXQSKXOOGMGM-LLVKDONJSA-N 1 3 317.886 2.338 20 0 DEADHO CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@H](CC)N(C)C)CCCC1 ZINC001438608611 1180642873 /nfs/dbraw/zinc/64/28/73/1180642873.db2.gz UDQMJCOUPIZFEH-KGLIPLIRSA-N 1 3 301.450 2.093 20 0 DEADHO O=C(CCC[NH+]1CCCCC1)NCC1(NCCF)CCCC1 ZINC001438611101 1180662636 /nfs/dbraw/zinc/66/26/36/1180662636.db2.gz IKXKYGXLOIPZLM-UHFFFAOYSA-N 1 3 313.461 2.241 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CC2CC2)CCCC1 ZINC001438613424 1180667220 /nfs/dbraw/zinc/66/72/20/1180667220.db2.gz TZEDFXGWHNVHIW-GJZGRUSLSA-N 1 3 307.482 2.288 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[N@H+](C)CC1CC2(CCC2)C1)N(C)C ZINC001438912171 1180848450 /nfs/dbraw/zinc/84/84/50/1180848450.db2.gz YLEKMJSSONJPAA-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)CC1CC2(CCC2)C1)N(C)C ZINC001438912171 1180848453 /nfs/dbraw/zinc/84/84/53/1180848453.db2.gz YLEKMJSSONJPAA-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO Cc1cccc(C)c1C[NH2+]C[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001439155592 1180899861 /nfs/dbraw/zinc/89/98/61/1180899861.db2.gz VMSSKXDFFFXRKC-WMLDXEAASA-N 1 3 317.477 2.240 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC1CC(C)(C)C1 ZINC001439284524 1180991563 /nfs/dbraw/zinc/99/15/63/1180991563.db2.gz KZXXTOSBVLUIEY-GOEBONIOSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[N@H+](C)CC1CC2(CCC2)C1 ZINC001439401754 1181073202 /nfs/dbraw/zinc/07/32/02/1181073202.db2.gz CITZRJXOOQDKOH-OAHLLOKOSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[N@@H+](C)CC1CC2(CCC2)C1 ZINC001439401754 1181073208 /nfs/dbraw/zinc/07/32/08/1181073208.db2.gz CITZRJXOOQDKOH-OAHLLOKOSA-N 1 3 309.498 2.343 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN1[C@H]1CCc2ccccc21 ZINC001439558055 1181142875 /nfs/dbraw/zinc/14/28/75/1181142875.db2.gz DJEZXFOKWUAYCT-AEFFLSMTSA-N 1 3 315.461 2.206 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN1[C@H]1CCc2ccccc21 ZINC001439558055 1181142880 /nfs/dbraw/zinc/14/28/80/1181142880.db2.gz DJEZXFOKWUAYCT-AEFFLSMTSA-N 1 3 315.461 2.206 20 0 DEADHO CN(C)C1(C(=O)NC[C@@]2(C)CCC[N@H+](CC3CCC3)C2)CCC1 ZINC001439936174 1181315563 /nfs/dbraw/zinc/31/55/63/1181315563.db2.gz WNMQQEMIZFEQIK-GOSISDBHSA-N 1 3 321.509 2.489 20 0 DEADHO CN(C)C1(C(=O)NC[C@@]2(C)CCC[N@@H+](CC3CCC3)C2)CCC1 ZINC001439936174 1181315574 /nfs/dbraw/zinc/31/55/74/1181315574.db2.gz WNMQQEMIZFEQIK-GOSISDBHSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H](F)CC)CCC1 ZINC001440323248 1181448377 /nfs/dbraw/zinc/44/83/77/1181448377.db2.gz MNKDGQDZFJXCSY-GJZGRUSLSA-N 1 3 313.461 2.237 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1([NH2+]C/C=C\Cl)CCC1 ZINC001440356357 1181462941 /nfs/dbraw/zinc/46/29/41/1181462941.db2.gz PLKUXNRICPJDQE-LTZSUWJESA-N 1 3 313.873 2.240 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]CC2CC(F)(F)C2)CCC1)N(C)C ZINC001440357459 1181463430 /nfs/dbraw/zinc/46/34/30/1181463430.db2.gz ORZFCXZEASMPCZ-CYBMUJFWSA-N 1 3 317.424 2.000 20 0 DEADHO C[N@H+](CCCC1CCC1)C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001440729161 1181660407 /nfs/dbraw/zinc/66/04/07/1181660407.db2.gz QPSNUNSZOQLLFV-KRWDZBQOSA-N 1 3 318.465 2.455 20 0 DEADHO C[N@@H+](CCCC1CCC1)C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001440729161 1181660410 /nfs/dbraw/zinc/66/04/10/1181660410.db2.gz QPSNUNSZOQLLFV-KRWDZBQOSA-N 1 3 318.465 2.455 20 0 DEADHO C[C@@H]([NH2+]CCc1cccs1)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001440801631 1181700670 /nfs/dbraw/zinc/70/06/70/1181700670.db2.gz TZIQFGHYGIMQDM-KGLIPLIRSA-N 1 3 323.506 2.258 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C1C[NH+](CCc2ccccc2)C1)N(C)C ZINC001441172506 1181882306 /nfs/dbraw/zinc/88/23/06/1181882306.db2.gz QHQUGTJQCFQWPR-CRAIPNDOSA-N 1 3 317.477 2.006 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)C1C[NH+](CC2CC(C)(C)C2)C1)N(C)C ZINC001441194677 1181890392 /nfs/dbraw/zinc/89/03/92/1181890392.db2.gz BJMUZQBLJKRAPT-PBHICJAKSA-N 1 3 323.525 2.445 20 0 DEADHO CC(C)C[NH2+][C@@H](CNC(=O)C(C)(C)N1CCCCC1)C1CC1 ZINC001441201891 1181892758 /nfs/dbraw/zinc/89/27/58/1181892758.db2.gz XAPMSZZGNFOHJS-INIZCTEOSA-N 1 3 309.498 2.391 20 0 DEADHO CC1CCN(CC(=O)N2CCC([N@H+](C)CCCF)CC2)CC1 ZINC001441389460 1181971125 /nfs/dbraw/zinc/97/11/25/1181971125.db2.gz UCFLFFNKDQZPAP-UHFFFAOYSA-N 1 3 313.461 2.001 20 0 DEADHO CC1CCN(CC(=O)N2CCC([N@@H+](C)CCCF)CC2)CC1 ZINC001441389460 1181971128 /nfs/dbraw/zinc/97/11/28/1181971128.db2.gz UCFLFFNKDQZPAP-UHFFFAOYSA-N 1 3 313.461 2.001 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001441460870 1182005356 /nfs/dbraw/zinc/00/53/56/1182005356.db2.gz MREIYYKEPQFYNE-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001441460870 1182005362 /nfs/dbraw/zinc/00/53/62/1182005362.db2.gz MREIYYKEPQFYNE-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CN2CC[C@H](C)C2)cc1 ZINC001441592246 1182079143 /nfs/dbraw/zinc/07/91/43/1182079143.db2.gz FYNSVTBDCSXHMW-IRXDYDNUSA-N 1 3 317.477 2.273 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[NH2+]CC1CCC(C)CC1 ZINC001442027452 1182293097 /nfs/dbraw/zinc/29/30/97/1182293097.db2.gz YTXQRUBTXWAVBW-JVWICGRDSA-N 1 3 306.454 2.181 20 0 DEADHO C[C@H](c1ccc(F)cc1)N(C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001442500196 1182503059 /nfs/dbraw/zinc/50/30/59/1182503059.db2.gz GUIVKDZRILNXON-CQSZACIVSA-N 1 3 321.440 2.277 20 0 DEADHO Cc1ccc(C[N@@H+](C)CCNC(=O)CN2CC[C@H](C)C2)cc1C ZINC001442517915 1182512607 /nfs/dbraw/zinc/51/26/07/1182512607.db2.gz KIOFEKOHLYMWRS-HNNXBMFYSA-N 1 3 317.477 2.193 20 0 DEADHO Cc1ccc(C[N@H+](C)CCNC(=O)CN2CC[C@H](C)C2)cc1C ZINC001442517915 1182512618 /nfs/dbraw/zinc/51/26/18/1182512618.db2.gz KIOFEKOHLYMWRS-HNNXBMFYSA-N 1 3 317.477 2.193 20 0 DEADHO CCc1ccc(CN2CC[C@H](N(C)C(=O)CC[NH+](C)C)C2)cc1 ZINC001443824518 1183148903 /nfs/dbraw/zinc/14/89/03/1183148903.db2.gz SZECKKDNMYLKGS-SFHVURJKSA-N 1 3 317.477 2.233 20 0 DEADHO CC[C@@H](F)C[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCCC1 ZINC001444500801 1183417646 /nfs/dbraw/zinc/41/76/46/1183417646.db2.gz PUNGANLZZOVSFP-CQSZACIVSA-N 1 3 313.461 2.237 20 0 DEADHO C[C@H](CNCc1ccccc1F)N(C)C(=O)CCC[NH+](C)C ZINC001444664724 1183507637 /nfs/dbraw/zinc/50/76/37/1183507637.db2.gz CHHALEYYHFMGLY-CQSZACIVSA-N 1 3 309.429 2.104 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccsc2)[C@H](C)C1 ZINC001444785179 1183553942 /nfs/dbraw/zinc/55/39/42/1183553942.db2.gz INBRUOFSKCVYGX-GDBMZVCRSA-N 1 3 323.506 2.415 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)CC[N@H+](C)CCc2cccs2)C1 ZINC001445035448 1183729900 /nfs/dbraw/zinc/72/99/00/1183729900.db2.gz QDFBPPVWTONGNU-OAHLLOKOSA-N 1 3 323.506 2.023 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)CC[N@@H+](C)CCc2cccs2)C1 ZINC001445035448 1183729905 /nfs/dbraw/zinc/72/99/05/1183729905.db2.gz QDFBPPVWTONGNU-OAHLLOKOSA-N 1 3 323.506 2.023 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC1CC(F)(F)C1 ZINC001445380844 1183854642 /nfs/dbraw/zinc/85/46/42/1183854642.db2.gz RZALMRACSMKRDT-TZMCWYRMSA-N 1 3 317.424 2.000 20 0 DEADHO Cc1ccc(CNC[C@H](C)NC(=O)CC[NH+](C)C)c(Cl)c1 ZINC001445609571 1183935213 /nfs/dbraw/zinc/93/52/13/1183935213.db2.gz FSMXFZPAJLMXMN-ZDUSSCGKSA-N 1 3 311.857 2.194 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CC1CCCC1 ZINC001445714222 1184009647 /nfs/dbraw/zinc/00/96/47/1184009647.db2.gz BRMFPHOBYPIICJ-RDJZCZTQSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC1CCCC1 ZINC001445714222 1184009659 /nfs/dbraw/zinc/00/96/59/1184009659.db2.gz BRMFPHOBYPIICJ-RDJZCZTQSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H](CN(C)Cc1ccc(CF)cc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001445870420 1184104848 /nfs/dbraw/zinc/10/48/48/1184104848.db2.gz NBYWJIIRPPRJJT-RHSMWYFYSA-N 1 3 321.440 2.044 20 0 DEADHO C[C@H](CN(C)Cc1ccc(CF)cc1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001445870420 1184104850 /nfs/dbraw/zinc/10/48/50/1184104850.db2.gz NBYWJIIRPPRJJT-RHSMWYFYSA-N 1 3 321.440 2.044 20 0 DEADHO Cc1cccc(C)c1CN1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001446076749 1184215236 /nfs/dbraw/zinc/21/52/36/1184215236.db2.gz QRHIGFKENAGYIL-KRWDZBQOSA-N 1 3 317.477 2.336 20 0 DEADHO CC1CC(C[NH+]2CCC(C)(NC(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001446469149 1184362409 /nfs/dbraw/zinc/36/24/09/1184362409.db2.gz IXTJEOYJPBDKST-GTPINHCMSA-N 1 3 321.509 2.345 20 0 DEADHO C[NH+](C)CC1(C(=O)NCC2(NCCF)CCC2)CCCCC1 ZINC001447216745 1184679057 /nfs/dbraw/zinc/67/90/57/1184679057.db2.gz NONFTXOJBQMOGP-UHFFFAOYSA-N 1 3 313.461 2.097 20 0 DEADHO C[C@@H](CNC(=O)CC[NH+](C)C)N(C)[C@H]1CCc2ccc(F)cc21 ZINC001448093544 1185072255 /nfs/dbraw/zinc/07/22/55/1185072255.db2.gz YNVBNDMVDVNDBO-GUYCJALGSA-N 1 3 321.440 2.201 20 0 DEADHO CC(C)CCC[NH+]1CC([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001448307495 1185156245 /nfs/dbraw/zinc/15/62/45/1185156245.db2.gz QPIPXKQVNCPPRS-HNNXBMFYSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[NH+]1CC([C@H](C)NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001448319408 1185161355 /nfs/dbraw/zinc/16/13/55/1185161355.db2.gz LVTYRFMBAOJKJW-SUMWQHHRSA-N 1 3 313.461 2.044 20 0 DEADHO CC(C)[NH+]1CC([C@@H](C)NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001448319403 1185161755 /nfs/dbraw/zinc/16/17/55/1185161755.db2.gz LVTYRFMBAOJKJW-DYVFJYSZSA-N 1 3 313.461 2.044 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[N@H+](CC2CC2)CC1(C)C)N1CCCC1 ZINC001448398821 1185202591 /nfs/dbraw/zinc/20/25/91/1185202591.db2.gz QNPXSJFMONLSTK-IRXDYDNUSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[N@@H+](CC2CC2)CC1(C)C)N1CCCC1 ZINC001448398821 1185202604 /nfs/dbraw/zinc/20/26/04/1185202604.db2.gz QNPXSJFMONLSTK-IRXDYDNUSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)C[C@@H](C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C(C)C)[C@@H]2C1 ZINC001448469978 1185241744 /nfs/dbraw/zinc/24/17/44/1185241744.db2.gz NDPJAWWTPCGWCR-TVFCKZIOSA-N 1 3 323.525 2.303 20 0 DEADHO CC(C)C[C@@H](C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C(C)C)[C@@H]2C1 ZINC001448469978 1185241755 /nfs/dbraw/zinc/24/17/55/1185241755.db2.gz NDPJAWWTPCGWCR-TVFCKZIOSA-N 1 3 323.525 2.303 20 0 DEADHO Cc1ccc(F)c(CN[C@@H](C)CN(C)C(=O)CCC[NH+](C)C)c1 ZINC001448726172 1185385199 /nfs/dbraw/zinc/38/51/99/1185385199.db2.gz CNEKWJZHOACMDP-HNNXBMFYSA-N 1 3 323.456 2.412 20 0 DEADHO CCC(CC)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC001448989045 1185473627 /nfs/dbraw/zinc/47/36/27/1185473627.db2.gz UWIZSVFOLQCDNG-WMLDXEAASA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCC3CC3)[C@H]2C1 ZINC001449027140 1185495765 /nfs/dbraw/zinc/49/57/65/1185495765.db2.gz CHSDNNHFCXMNIT-OKZBNKHCSA-N 1 3 321.509 2.343 20 0 DEADHO [NH3+]C1([C@H]2CN(c3ncccc3CN3CCCC3)C[C@@H]2CF)CC1 ZINC001164623756 719125152 /nfs/dbraw/zinc/12/51/52/719125152.db2.gz RVKSCYDYXHZSBL-HOTGVXAUSA-N 1 3 318.440 2.191 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]21 ZINC001406184564 1164496929 /nfs/dbraw/zinc/49/69/29/1164496929.db2.gz MQVYBCIZFNJTIP-HZPDHXFCSA-N 1 3 309.498 2.297 20 0 DEADHO CCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]21 ZINC001406184564 1164496939 /nfs/dbraw/zinc/49/69/39/1164496939.db2.gz MQVYBCIZFNJTIP-HZPDHXFCSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CC[N@H+](CC1CCCC1)C2)N(C)C ZINC001072851021 790273236 /nfs/dbraw/zinc/27/32/36/790273236.db2.gz HTFDBLBBQPMINP-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](CC1CCCC1)C2)N(C)C ZINC001072851021 790273239 /nfs/dbraw/zinc/27/32/39/790273239.db2.gz HTFDBLBBQPMINP-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1C[C@@H](C(=O)NCC2(NC/C=C/Cl)CCC2)CC[N@@H+]1C ZINC001407796060 1165315570 /nfs/dbraw/zinc/31/55/70/1165315570.db2.gz GZTRTRZPQMPNPI-CSNMRHKHSA-N 1 3 313.873 2.098 20 0 DEADHO C[C@H]1C[C@@H](C(=O)NCC2(NC/C=C/Cl)CCC2)CC[N@H+]1C ZINC001407796060 1165315573 /nfs/dbraw/zinc/31/55/73/1165315573.db2.gz GZTRTRZPQMPNPI-CSNMRHKHSA-N 1 3 313.873 2.098 20 0 DEADHO CC(C)=CC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001072953150 790323487 /nfs/dbraw/zinc/32/34/87/790323487.db2.gz PJHQSGNCOLVWAP-MRXNPFEDSA-N 1 3 307.482 2.073 20 0 DEADHO CC(C)=CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001072953150 790323499 /nfs/dbraw/zinc/32/34/99/790323499.db2.gz PJHQSGNCOLVWAP-MRXNPFEDSA-N 1 3 307.482 2.073 20 0 DEADHO CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001106312572 782647914 /nfs/dbraw/zinc/64/79/14/782647914.db2.gz IYGQFKOITQJBMJ-APBGNUCKSA-N 1 3 309.498 2.367 20 0 DEADHO CCCCC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001106666303 782839371 /nfs/dbraw/zinc/83/93/71/782839371.db2.gz JQTKEJCEWGQDNV-GVDBMIGSSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001075332382 776551584 /nfs/dbraw/zinc/55/15/84/776551584.db2.gz ATTMVTRKHHILGR-HZPDHXFCSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@@H](C(=O)NCCC1(C[NH2+]CC2CCCC2)CC1)N(C)C ZINC001167251588 776800627 /nfs/dbraw/zinc/80/06/27/776800627.db2.gz XESIBSCHOSJVKC-INIZCTEOSA-N 1 3 309.498 2.393 20 0 DEADHO CN(C)C1(C(=O)NCCC2=CC[N@H+](CC3CC3)CC2)CCC1 ZINC001160360096 790496084 /nfs/dbraw/zinc/49/60/84/790496084.db2.gz JAQSNVMKZQGVAM-UHFFFAOYSA-N 1 3 305.466 2.019 20 0 DEADHO CN(C)C1(C(=O)NCCC2=CC[N@@H+](CC3CC3)CC2)CCC1 ZINC001160360096 790496091 /nfs/dbraw/zinc/49/60/91/790496091.db2.gz JAQSNVMKZQGVAM-UHFFFAOYSA-N 1 3 305.466 2.019 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000718081983 777001578 /nfs/dbraw/zinc/00/15/78/777001578.db2.gz OGECRPAMCWAZPO-DZOHQFGASA-N 1 3 315.461 2.141 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001211257833 777023066 /nfs/dbraw/zinc/02/30/66/777023066.db2.gz VLUKNVBRLJLQLD-AJNJCKRNSA-N 1 3 313.873 2.194 20 0 DEADHO Fc1cccc(F)c1CN1CCN(CC2CC[NH2+]CC2)CC1 ZINC001207441086 778059964 /nfs/dbraw/zinc/05/99/64/778059964.db2.gz QALUMDGCNUEZAU-UHFFFAOYSA-N 1 3 309.404 2.082 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC=C(C)C)C1 ZINC001104937999 778265385 /nfs/dbraw/zinc/26/53/85/778265385.db2.gz MKUVUPIZVLOALX-IAGOWNOFSA-N 1 3 309.498 2.369 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C/C=C/Cl)C1 ZINC001105066741 778322449 /nfs/dbraw/zinc/32/24/49/778322449.db2.gz DIOUFYJYAOLJGT-IPKOWEFYSA-N 1 3 315.889 2.153 20 0 DEADHO O=C1COC2(C1)CC[NH+](C1C[C@H]3CC[C@@H](C1)N3CC1CC1)CC2 ZINC001167989002 779194713 /nfs/dbraw/zinc/19/47/13/779194713.db2.gz WJWOKTMRLULLHF-SJPCQFCGSA-N 1 3 318.461 2.216 20 0 DEADHO C[C@@H]1CC(NCCC(=O)N(C)C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168008256 779287264 /nfs/dbraw/zinc/28/72/64/779287264.db2.gz DIBMMKJOWPGHBA-HZPDHXFCSA-N 1 3 317.477 2.496 20 0 DEADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+](CCC4CC4)CC[C@@H]3C2)CCC1 ZINC001087992768 779619069 /nfs/dbraw/zinc/61/90/69/779619069.db2.gz LRGRXFFXJGVNHH-SJORKVTESA-N 1 3 319.493 2.051 20 0 DEADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+](CCC4CC4)CC[C@@H]3C2)CCC1 ZINC001087992768 779619074 /nfs/dbraw/zinc/61/90/74/779619074.db2.gz LRGRXFFXJGVNHH-SJORKVTESA-N 1 3 319.493 2.051 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106811 779705532 /nfs/dbraw/zinc/70/55/32/779705532.db2.gz SCSNTVFDEIFFOG-KURKYZTESA-N 1 3 319.493 2.075 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106811 779705537 /nfs/dbraw/zinc/70/55/37/779705537.db2.gz SCSNTVFDEIFFOG-KURKYZTESA-N 1 3 319.493 2.075 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001088129876 779718775 /nfs/dbraw/zinc/71/87/75/779718775.db2.gz LDDJPOBODFRBER-FGTMMUONSA-N 1 3 321.509 2.440 20 0 DEADHO CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001088129876 779718776 /nfs/dbraw/zinc/71/87/76/779718776.db2.gz LDDJPOBODFRBER-FGTMMUONSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2CCCCC[C@H](NCCF)C2)CC[N@@H+]1C ZINC001088317369 779941897 /nfs/dbraw/zinc/94/18/97/779941897.db2.gz ZPLVIHQHNNKINE-HRCADAONSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2CCCCC[C@H](NCCF)C2)CC[N@H+]1C ZINC001088317369 779941900 /nfs/dbraw/zinc/94/19/00/779941900.db2.gz ZPLVIHQHNNKINE-HRCADAONSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001088326852 779959113 /nfs/dbraw/zinc/95/91/13/779959113.db2.gz ZDXSWPZBYFQSQU-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO C[NH+]1CCC(CC(=O)N2CCCCC[C@@H](NCCF)C2)CC1 ZINC001088393798 780066188 /nfs/dbraw/zinc/06/61/88/780066188.db2.gz NPFJESKWQQQXMP-MRXNPFEDSA-N 1 3 313.461 2.049 20 0 DEADHO CC[NH2+]CC(C)(C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001101547637 780373904 /nfs/dbraw/zinc/37/39/04/780373904.db2.gz JZOFYYHLCHSEIT-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C2CCCC2)[C@H]1C ZINC001088622132 780660940 /nfs/dbraw/zinc/66/09/40/780660940.db2.gz IJJNZQGFWHVKEK-PVAVHDDUSA-N 1 3 307.482 2.382 20 0 DEADHO CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C2CCCC2)[C@H]1C ZINC001088622132 780660944 /nfs/dbraw/zinc/66/09/44/780660944.db2.gz IJJNZQGFWHVKEK-PVAVHDDUSA-N 1 3 307.482 2.382 20 0 DEADHO CC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)CCC1 ZINC001105566591 780766277 /nfs/dbraw/zinc/76/62/77/780766277.db2.gz QBVWZSVNEZHZAG-HNNXBMFYSA-N 1 3 304.438 2.113 20 0 DEADHO COc1ccc(N2CCN(C3CCC([NH+](C)C)CC3)CC2)nc1 ZINC001168329967 780845874 /nfs/dbraw/zinc/84/58/74/780845874.db2.gz LRGMLINFPKPANW-UHFFFAOYSA-N 1 3 318.465 2.085 20 0 DEADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)C[C@H](C)c1ccccc1 ZINC001144432327 790905990 /nfs/dbraw/zinc/90/59/90/790905990.db2.gz OBRFBYCKVDSRND-AWEZNQCLSA-N 1 3 304.438 2.244 20 0 DEADHO CCN1CC[C@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968418489 784373477 /nfs/dbraw/zinc/37/34/77/784373477.db2.gz LFZNWQOCOXWLKI-WMLDXEAASA-N 1 3 303.450 2.208 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1C[C@H]([NH2+]CC2CC(C)C2)C1 ZINC001086084675 784395297 /nfs/dbraw/zinc/39/52/97/784395297.db2.gz AUXNEZVKEORXTG-YOHUBWIESA-N 1 3 321.509 2.390 20 0 DEADHO Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)c1 ZINC000968912826 784647376 /nfs/dbraw/zinc/64/73/76/784647376.db2.gz UABRGEBEBWMPPH-MSOLQXFVSA-N 1 3 315.461 2.026 20 0 DEADHO Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC000968921937 784652448 /nfs/dbraw/zinc/65/24/48/784652448.db2.gz NNXSFQKMZGUKCJ-QGZVFWFLSA-N 1 3 315.461 2.170 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC000968988846 784681974 /nfs/dbraw/zinc/68/19/74/784681974.db2.gz BRWFKRIJNFMTBT-CVEARBPZSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)N1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001007497847 784934847 /nfs/dbraw/zinc/93/48/47/784934847.db2.gz GBUWJJVVOUTSKK-WBVHZDCISA-N 1 3 307.482 2.382 20 0 DEADHO CC(C)N1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001007497847 784934851 /nfs/dbraw/zinc/93/48/51/784934851.db2.gz GBUWJJVVOUTSKK-WBVHZDCISA-N 1 3 307.482 2.382 20 0 DEADHO C[C@@H]1C[C@H]([NH+]2CCC3(CN(C)C3)CC2)CN1C(=O)OC(C)(C)C ZINC001168870709 784944511 /nfs/dbraw/zinc/94/45/11/784944511.db2.gz FIDYDYCUTNZBSD-CABCVRRESA-N 1 3 323.481 2.412 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC1CC([NH2+]CC2CC2)C1 ZINC001091267455 791074431 /nfs/dbraw/zinc/07/44/31/791074431.db2.gz LQKLLDWDJNDFCS-JCYILVPMSA-N 1 3 307.482 2.144 20 0 DEADHO C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C)c1ccc(S(C)(=O)=O)cc1 ZINC001169078411 785036240 /nfs/dbraw/zinc/03/62/40/785036240.db2.gz FFRDUNVEPNQHKK-DMRZNYOFSA-N 1 3 322.474 2.366 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]C/C=C/CNC(=O)OC(C)(C)C)C2 ZINC001169112731 785058724 /nfs/dbraw/zinc/05/87/24/785058724.db2.gz SBWUULUAPVQALF-BXYHYORCSA-N 1 3 309.454 2.282 20 0 DEADHO CC(C)CC(=O)NC1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169143164 785062236 /nfs/dbraw/zinc/06/22/36/785062236.db2.gz YPAMEYASIQSLCQ-FVQHAEBGSA-N 1 3 307.482 2.238 20 0 DEADHO CC(C)CC(=O)NC1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169143164 785062244 /nfs/dbraw/zinc/06/22/44/785062244.db2.gz YPAMEYASIQSLCQ-FVQHAEBGSA-N 1 3 307.482 2.238 20 0 DEADHO COc1ccnc(O[C@H]2CC[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)N4C)C2)c1 ZINC001169153198 785066416 /nfs/dbraw/zinc/06/64/16/785066416.db2.gz GTXZRRKLAIDFMR-HWMZRRJGSA-N 1 3 317.433 2.169 20 0 DEADHO COc1ccnc(O[C@H]2CC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)N4C)C2)c1 ZINC001169153198 785066422 /nfs/dbraw/zinc/06/64/22/785066422.db2.gz GTXZRRKLAIDFMR-HWMZRRJGSA-N 1 3 317.433 2.169 20 0 DEADHO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCCN(CCCF)C2)cc1 ZINC001008881425 785322947 /nfs/dbraw/zinc/32/29/47/785322947.db2.gz LKBDPSSDGIDSTN-QGZVFWFLSA-N 1 3 321.440 2.302 20 0 DEADHO Cc1ccc(CN2CCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001009506223 785467886 /nfs/dbraw/zinc/46/78/86/785467886.db2.gz CXABQRHEMRSFMO-QZTJIDSGSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccc(CN2CCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001009506223 785467892 /nfs/dbraw/zinc/46/78/92/785467892.db2.gz CXABQRHEMRSFMO-QZTJIDSGSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccc(CN2CCC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001009506226 785468853 /nfs/dbraw/zinc/46/88/53/785468853.db2.gz CXABQRHEMRSFMO-ROUUACIJSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccc(CN2CCC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001009506226 785468860 /nfs/dbraw/zinc/46/88/60/785468860.db2.gz CXABQRHEMRSFMO-ROUUACIJSA-N 1 3 315.461 2.027 20 0 DEADHO CN(C)C1(C(=O)NCC[NH2+]CC2CCC3(CC3)CC2)CCC1 ZINC001129358582 785497871 /nfs/dbraw/zinc/49/78/71/785497871.db2.gz UXTDPFQOQGSKBG-UHFFFAOYSA-N 1 3 307.482 2.147 20 0 DEADHO C[C@@H]([NH2+]CCNC(=O)C1(N(C)C)CCC1)c1ccc(F)cc1 ZINC001129364813 785543534 /nfs/dbraw/zinc/54/35/34/785543534.db2.gz ZLRJCHFNUARBCC-CYBMUJFWSA-N 1 3 307.413 2.077 20 0 DEADHO C[C@@H](CN)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171252442 791142627 /nfs/dbraw/zinc/14/26/27/791142627.db2.gz XAYOTSPLDFEJDK-QTXGHNMQSA-N 1 3 315.461 2.349 20 0 DEADHO C[C@@H](CN)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171252442 791142629 /nfs/dbraw/zinc/14/26/29/791142629.db2.gz XAYOTSPLDFEJDK-QTXGHNMQSA-N 1 3 315.461 2.349 20 0 DEADHO C[C@H](F)CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001014422224 786579511 /nfs/dbraw/zinc/57/95/11/786579511.db2.gz GWRLRBBMAQVFMA-LSDHHAIUSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H](F)CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001014422224 786579518 /nfs/dbraw/zinc/57/95/18/786579518.db2.gz GWRLRBBMAQVFMA-LSDHHAIUSA-N 1 3 313.461 2.190 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CCN(CC2CCC3(CC3)CC2)CC1 ZINC001113499096 786638062 /nfs/dbraw/zinc/63/80/62/786638062.db2.gz HQFPAYXXLMJOBA-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CCN(CC2CCC3(CC3)CC2)CC1 ZINC001113499096 786638066 /nfs/dbraw/zinc/63/80/66/786638066.db2.gz HQFPAYXXLMJOBA-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CC(C)=CCN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001014707530 786715845 /nfs/dbraw/zinc/71/58/45/786715845.db2.gz UGZUEFWVTXFDLF-IRXDYDNUSA-N 1 3 307.482 2.121 20 0 DEADHO CC(C)=CCN1CC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001014707530 786715850 /nfs/dbraw/zinc/71/58/50/786715850.db2.gz UGZUEFWVTXFDLF-IRXDYDNUSA-N 1 3 307.482 2.121 20 0 DEADHO Cc1c2[nH]cnc2ccc1NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001170276370 786885866 /nfs/dbraw/zinc/88/58/66/786885866.db2.gz DPFYGBMXFYYHOJ-FMKPAKJESA-N 1 3 304.394 2.008 20 0 DEADHO CCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1C(C)C ZINC001114262439 787191108 /nfs/dbraw/zinc/19/11/08/787191108.db2.gz DIAJPPFMYCUMMV-TWMKSMIVSA-N 1 3 307.482 2.096 20 0 DEADHO CCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1C(C)C ZINC001114262439 787191111 /nfs/dbraw/zinc/19/11/11/787191111.db2.gz DIAJPPFMYCUMMV-TWMKSMIVSA-N 1 3 307.482 2.096 20 0 DEADHO CN(C)[C@@H](C(=O)NCC[NH2+][C@H]1CCCc2ccccc21)C1CC1 ZINC001129444685 787211562 /nfs/dbraw/zinc/21/15/62/787211562.db2.gz XACJNRQUQYTZNM-ZWKOTPCHSA-N 1 3 315.461 2.110 20 0 DEADHO Cc1ccc(C[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C)cc1C ZINC001129950570 787262347 /nfs/dbraw/zinc/26/23/47/787262347.db2.gz WOFXRGJKSHEZMO-KRWDZBQOSA-N 1 3 305.466 2.095 20 0 DEADHO C[N@H+](CCC(=O)NCCNC/C=C/Cl)C1CCCCC1 ZINC001131822477 787751167 /nfs/dbraw/zinc/75/11/67/787751167.db2.gz OQPPNPHVDNSZLX-WEVVVXLNSA-N 1 3 301.862 2.099 20 0 DEADHO C[N@@H+](CCC(=O)NCCNC/C=C/Cl)C1CCCCC1 ZINC001131822477 787751173 /nfs/dbraw/zinc/75/11/73/787751173.db2.gz OQPPNPHVDNSZLX-WEVVVXLNSA-N 1 3 301.862 2.099 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)N(Cc2ccccc2)C1 ZINC001132411424 788065474 /nfs/dbraw/zinc/06/54/74/788065474.db2.gz ZIJGLVJZOGYOBQ-AEFFLSMTSA-N 1 3 317.477 2.498 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)N(Cc2ccccc2)C1 ZINC001132411424 788065491 /nfs/dbraw/zinc/06/54/91/788065491.db2.gz ZIJGLVJZOGYOBQ-AEFFLSMTSA-N 1 3 317.477 2.498 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC2CCC2)C1 ZINC001133178810 788307509 /nfs/dbraw/zinc/30/75/09/788307509.db2.gz XNNPALVCJXNPTP-DOTOQJQBSA-N 1 3 309.498 2.203 20 0 DEADHO CCc1ccccc1CC[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001133418989 788409226 /nfs/dbraw/zinc/40/92/26/788409226.db2.gz HRJYFRJUAALABO-GOSISDBHSA-N 1 3 319.493 2.084 20 0 DEADHO Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001133851141 788632866 /nfs/dbraw/zinc/63/28/66/788632866.db2.gz XSUSXHCNEKKDOQ-NVXWUHKLSA-N 1 3 317.477 2.412 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+]CCNC(=O)CN2CC[C@H](C)C2)c1 ZINC001133851123 788633052 /nfs/dbraw/zinc/63/30/52/788633052.db2.gz XGALVVUBXKVNLH-JKSUJKDBSA-N 1 3 303.450 2.104 20 0 DEADHO C[C@@H]([NH2+]CCNC(=O)CN1CC[C@H](C)C1)c1cccc(Cl)c1 ZINC001133846016 788638290 /nfs/dbraw/zinc/63/82/90/788638290.db2.gz RQKNFXSAUPVPNW-UONOGXRCSA-N 1 3 323.868 2.449 20 0 DEADHO CC1(C)CCN(CC(=O)NCC[NH2+][C@H]2CCc3ccccc32)C1 ZINC001133896690 788663397 /nfs/dbraw/zinc/66/33/97/788663397.db2.gz ORPHEFYDVVGNHL-KRWDZBQOSA-N 1 3 315.461 2.112 20 0 DEADHO CN(CC(=O)NCC[NH2+]CCCc1ccccc1)CC(C)(C)C ZINC001133918710 788676024 /nfs/dbraw/zinc/67/60/24/788676024.db2.gz ZKYGJUFLVCSADW-UHFFFAOYSA-N 1 3 319.493 2.303 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+][C@H]1CCCc2ccc(F)cc21)N(C)C ZINC001133963498 788693939 /nfs/dbraw/zinc/69/39/39/788693939.db2.gz WXQHKMNSKYJHRH-IRXDYDNUSA-N 1 3 321.440 2.249 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(F)cc1 ZINC001134759369 789066715 /nfs/dbraw/zinc/06/67/15/789066715.db2.gz NIBXOMGLMOQAQE-KRWDZBQOSA-N 1 3 321.440 2.294 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+]CCc1cccs1 ZINC001134767315 789069385 /nfs/dbraw/zinc/06/93/85/789069385.db2.gz VTBHYOIANAUTNZ-INIZCTEOSA-N 1 3 323.506 2.259 20 0 DEADHO c1ccc(CN2CCC(C[NH2+][C@H]3CCCOCC3)CC2)nc1 ZINC001170797738 789222552 /nfs/dbraw/zinc/22/25/52/789222552.db2.gz YSCNFOUEFWHPQG-KRWDZBQOSA-N 1 3 303.450 2.452 20 0 DEADHO c1ccc(CN2CCC(C[NH2+][C@@H]3CCCOCC3)CC2)nc1 ZINC001170797739 789222624 /nfs/dbraw/zinc/22/26/24/789222624.db2.gz YSCNFOUEFWHPQG-QGZVFWFLSA-N 1 3 303.450 2.452 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+]Cc1ccccc1C1CC1 ZINC001135511201 789380309 /nfs/dbraw/zinc/38/03/09/789380309.db2.gz LTAKDEBWSGYEEQ-UHFFFAOYSA-N 1 3 303.450 2.112 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCOC(C)C ZINC001135706689 789461055 /nfs/dbraw/zinc/46/10/55/789461055.db2.gz ZRANTOJLJGVOMC-HZPDHXFCSA-N 1 3 315.502 2.016 20 0 DEADHO Cc1cc(CN[C@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C)on1 ZINC001135960870 789580574 /nfs/dbraw/zinc/58/05/74/789580574.db2.gz IUMTXMSNNFCVEL-ZIAGYGMSSA-N 1 3 324.469 2.088 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccccc2)[C@@H]1C)N(C)C ZINC001074710874 791271863 /nfs/dbraw/zinc/27/18/63/791271863.db2.gz JEYHXCKFQMEYDP-BHYGNILZSA-N 1 3 303.450 2.106 20 0 DEADHO C[C@@H](C[C@H](C)[NH2+]CCF)NC(=O)c1ccccc1CN(C)C ZINC001146581865 791315580 /nfs/dbraw/zinc/31/55/80/791315580.db2.gz DEKASGBOVWMZEL-KBPBESRZSA-N 1 3 309.429 2.204 20 0 DEADHO C[C@H](C[C@H](C)NC(=O)c1ccccc1CN(C)C)[NH2+]CCF ZINC001146581866 791315802 /nfs/dbraw/zinc/31/58/02/791315802.db2.gz DEKASGBOVWMZEL-KGLIPLIRSA-N 1 3 309.429 2.204 20 0 DEADHO Cc1nc(C)c(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C)o1 ZINC001146593579 791318201 /nfs/dbraw/zinc/31/82/01/791318201.db2.gz QEQMUFHVEWIIIL-CHWSQXEVSA-N 1 3 324.469 2.005 20 0 DEADHO Cc1cccnc1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146593149 791318428 /nfs/dbraw/zinc/31/84/28/791318428.db2.gz OGDHDEVJVNVESN-JKSUJKDBSA-N 1 3 320.481 2.103 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCNC[C@H](F)CC ZINC001147357935 791516880 /nfs/dbraw/zinc/51/68/80/791516880.db2.gz ABXWUKNXJGVLHS-CABCVRRESA-N 1 3 301.450 2.095 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1C(=O)NCCNC[C@H](F)CC ZINC001147357935 791516890 /nfs/dbraw/zinc/51/68/90/791516890.db2.gz ABXWUKNXJGVLHS-CABCVRRESA-N 1 3 301.450 2.095 20 0 DEADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1ccc(C(C)(C)C)nc1 ZINC001147810862 791620254 /nfs/dbraw/zinc/62/02/54/791620254.db2.gz FTAPHWCPWXPRMB-UHFFFAOYSA-N 1 3 319.453 2.057 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001148642369 791780011 /nfs/dbraw/zinc/78/00/11/791780011.db2.gz GKEJKDAILLCBGU-KRWDZBQOSA-N 1 3 317.477 2.154 20 0 DEADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@H+](CCCC1CCC1)C2 ZINC001148845234 791810360 /nfs/dbraw/zinc/81/03/60/791810360.db2.gz ZSBBQSQEZLWNJF-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@@H+](CCCC1CCC1)C2 ZINC001148845234 791810366 /nfs/dbraw/zinc/81/03/66/791810366.db2.gz ZSBBQSQEZLWNJF-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)=CC[N@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092011140 791923382 /nfs/dbraw/zinc/92/33/82/791923382.db2.gz QIEONBILIZJELV-SCTDSRPQSA-N 1 3 319.493 2.217 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092011140 791923386 /nfs/dbraw/zinc/92/33/86/791923386.db2.gz QIEONBILIZJELV-SCTDSRPQSA-N 1 3 319.493 2.217 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C ZINC001092603296 792081401 /nfs/dbraw/zinc/08/14/01/792081401.db2.gz XQNVSVDVYOTHIN-NXHRZFHOSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C ZINC001092603296 792081417 /nfs/dbraw/zinc/08/14/17/792081417.db2.gz XQNVSVDVYOTHIN-NXHRZFHOSA-N 1 3 321.509 2.343 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC(C)C)C[C@H]1C ZINC001092658177 792104648 /nfs/dbraw/zinc/10/46/48/792104648.db2.gz KIBIEHRBUXZBCJ-BRWVUGGUSA-N 1 3 309.498 2.201 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC(C)C)C[C@H]1C ZINC001092658177 792104655 /nfs/dbraw/zinc/10/46/55/792104655.db2.gz KIBIEHRBUXZBCJ-BRWVUGGUSA-N 1 3 309.498 2.201 20 0 DEADHO CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001099474573 792217487 /nfs/dbraw/zinc/21/74/87/792217487.db2.gz VLPHGGDUKOHJGC-YJBOKZPZSA-N 1 3 307.482 2.099 20 0 DEADHO CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C(C)C ZINC001099553376 792239871 /nfs/dbraw/zinc/23/98/71/792239871.db2.gz TWNLNFFICKJRQB-MLHJIOFPSA-N 1 3 321.509 2.296 20 0 DEADHO CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C(C)C ZINC001099553376 792239882 /nfs/dbraw/zinc/23/98/82/792239882.db2.gz TWNLNFFICKJRQB-MLHJIOFPSA-N 1 3 321.509 2.296 20 0 DEADHO CCCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)CCC ZINC001099554425 792240474 /nfs/dbraw/zinc/24/04/74/792240474.db2.gz YNGJXRRFKVMYNR-MHORFTMASA-N 1 3 321.509 2.297 20 0 DEADHO CCCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)CCC ZINC001099554425 792240484 /nfs/dbraw/zinc/24/04/84/792240484.db2.gz YNGJXRRFKVMYNR-MHORFTMASA-N 1 3 321.509 2.297 20 0 DEADHO CN(CC(=O)NCC1CC([NH2+]C/C=C\Cl)C1)CC(C)(C)C ZINC001100681585 792785663 /nfs/dbraw/zinc/78/56/63/792785663.db2.gz NLIJRMKFKBOEEJ-WAYWQWQTSA-N 1 3 315.889 2.201 20 0 DEADHO CC[C@@H](C(=O)NCC1CC([NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001100683552 792787141 /nfs/dbraw/zinc/78/71/41/792787141.db2.gz HCOAMWHFIMQTKN-PREGVCBESA-N 1 3 321.440 2.150 20 0 DEADHO CCN(CC)CC(=O)NCC1CC([NH2+]CC2=CCCCC2)C1 ZINC001100769578 792832236 /nfs/dbraw/zinc/83/22/36/792832236.db2.gz QNGKYVABBOJAMD-UHFFFAOYSA-N 1 3 307.482 2.313 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]C[C@H](C)OC ZINC001171586077 793127692 /nfs/dbraw/zinc/12/76/92/793127692.db2.gz IQWJIBVDYKTRFY-GJZGRUSLSA-N 1 3 315.502 2.016 20 0 DEADHO CC(C)CCC[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001101375586 793136319 /nfs/dbraw/zinc/13/63/19/793136319.db2.gz ZVUDHBBHAQPEQN-QAPCUYQASA-N 1 3 318.465 2.169 20 0 DEADHO CC(C)CCC[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001101375586 793136322 /nfs/dbraw/zinc/13/63/22/793136322.db2.gz ZVUDHBBHAQPEQN-QAPCUYQASA-N 1 3 318.465 2.169 20 0 DEADHO Cc1cccc2c1CC[C@@H](N1CCN(CCC[NH+](C)C)CC1)C2 ZINC001171569751 793136336 /nfs/dbraw/zinc/13/63/36/793136336.db2.gz AVELOOVSJZOTLX-LJQANCHMSA-N 1 3 315.505 2.422 20 0 DEADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](CC3CC(C)C3)C[C@@]2(C)C1 ZINC001101400344 793144962 /nfs/dbraw/zinc/14/49/62/793144962.db2.gz RVBWABRAOANROX-WXVPWVKJSA-N 1 3 321.509 2.155 20 0 DEADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](CC3CC(C)C3)C[C@@]2(C)C1 ZINC001101400344 793144966 /nfs/dbraw/zinc/14/49/66/793144966.db2.gz RVBWABRAOANROX-WXVPWVKJSA-N 1 3 321.509 2.155 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1ccc(CC)cc1 ZINC001171762606 793198842 /nfs/dbraw/zinc/19/88/42/793198842.db2.gz HUUKDCDHIGNONO-UHFFFAOYSA-N 1 3 305.466 2.187 20 0 DEADHO CCN1CC[C@H](N2CCC([NH3+])(Cc3ccccc3)CC2)CC1=O ZINC001172029689 793296312 /nfs/dbraw/zinc/29/63/12/793296312.db2.gz DHTLOQDETMDPPW-KRWDZBQOSA-N 1 3 315.461 2.033 20 0 DEADHO CN(CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)OC(C)(C)C ZINC001172100889 793314503 /nfs/dbraw/zinc/31/45/03/793314503.db2.gz UNLMJRBKRKHBDM-QKDCVEJESA-N 1 3 311.470 2.458 20 0 DEADHO CN(CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)OC(C)(C)C ZINC001172100889 793314511 /nfs/dbraw/zinc/31/45/11/793314511.db2.gz UNLMJRBKRKHBDM-QKDCVEJESA-N 1 3 311.470 2.458 20 0 DEADHO OCCOCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172069590 793316573 /nfs/dbraw/zinc/31/65/73/793316573.db2.gz VKMYYLMTVXCDCP-REPLKXPHSA-N 1 3 318.461 2.171 20 0 DEADHO OCCOCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069590 793316580 /nfs/dbraw/zinc/31/65/80/793316580.db2.gz VKMYYLMTVXCDCP-REPLKXPHSA-N 1 3 318.461 2.171 20 0 DEADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(-n3cccn3)nc1)C2 ZINC001172115821 793337623 /nfs/dbraw/zinc/33/76/23/793337623.db2.gz FPRHVUGDFIMEGW-BJWYYQGGSA-N 1 3 311.433 2.372 20 0 DEADHO COCCC[NH+]1CCC(N2CC[C@H](c3cccnc3)C2)CC1 ZINC001172255749 793392431 /nfs/dbraw/zinc/39/24/31/793392431.db2.gz MRNZXCSUYJJSFQ-KRWDZBQOSA-N 1 3 303.450 2.372 20 0 DEADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172665229 793473141 /nfs/dbraw/zinc/47/31/41/793473141.db2.gz WTDXRPBCASXWBG-QZTJIDSGSA-N 1 3 315.461 2.252 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCN[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172665229 793473147 /nfs/dbraw/zinc/47/31/47/793473147.db2.gz WTDXRPBCASXWBG-QZTJIDSGSA-N 1 3 315.461 2.252 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCN[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172665229 793473150 /nfs/dbraw/zinc/47/31/50/793473150.db2.gz WTDXRPBCASXWBG-QZTJIDSGSA-N 1 3 315.461 2.252 20 0 DEADHO [NH3+][C@H]1CCC[C@@H](N[C@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172664861 793473222 /nfs/dbraw/zinc/47/32/22/793473222.db2.gz ZFDMXIIKLZRTQX-BBWFWOEESA-N 1 3 301.434 2.037 20 0 DEADHO CC(C)N1CCN(CC[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172710823 793490769 /nfs/dbraw/zinc/49/07/69/793490769.db2.gz OCNSDDICAYMCKY-SFHVURJKSA-N 1 3 321.896 2.423 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1C)N(C)C ZINC001102087993 793499694 /nfs/dbraw/zinc/49/96/94/793499694.db2.gz GOPNQUHJAOUVLW-DJIMGWMZSA-N 1 3 323.525 2.447 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1C)N(C)C ZINC001102087993 793499701 /nfs/dbraw/zinc/49/97/01/793499701.db2.gz GOPNQUHJAOUVLW-DJIMGWMZSA-N 1 3 323.525 2.447 20 0 DEADHO CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)CC1)C2 ZINC001095025138 793592341 /nfs/dbraw/zinc/59/23/41/793592341.db2.gz LARCLUSWFLYBGL-ULQDDVLXSA-N 1 3 307.482 2.097 20 0 DEADHO CCC(CC)C[N@H+]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)[C@H](C)C1 ZINC001102380796 793597487 /nfs/dbraw/zinc/59/74/87/793597487.db2.gz XGKXFIOFSIWOKS-OIISXLGYSA-N 1 3 311.514 2.447 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)[C@H](C)C1 ZINC001102380796 793597491 /nfs/dbraw/zinc/59/74/91/793597491.db2.gz XGKXFIOFSIWOKS-OIISXLGYSA-N 1 3 311.514 2.447 20 0 DEADHO COc1cccc2c1C[C@@H]([NH+]1CCC3(CN(C)C3)CC1)CO2 ZINC001173167772 793628873 /nfs/dbraw/zinc/62/88/73/793628873.db2.gz IQTJFKMKKIWYCR-CQSZACIVSA-N 1 3 302.418 2.026 20 0 DEADHO COc1cccc2c1C[C@@H](N1CCC3(C[NH+](C)C3)CC1)CO2 ZINC001173167772 793628875 /nfs/dbraw/zinc/62/88/75/793628875.db2.gz IQTJFKMKKIWYCR-CQSZACIVSA-N 1 3 302.418 2.026 20 0 DEADHO C[C@@H](CN)C[N@H+](C)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173413727 793715464 /nfs/dbraw/zinc/71/54/64/793715464.db2.gz RPGZCPBBXYINRS-ZDUSSCGKSA-N 1 3 323.868 2.471 20 0 DEADHO C[C@@H](CN)C[N@@H+](C)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173413727 793715472 /nfs/dbraw/zinc/71/54/72/793715472.db2.gz RPGZCPBBXYINRS-ZDUSSCGKSA-N 1 3 323.868 2.471 20 0 DEADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173742680 793831407 /nfs/dbraw/zinc/83/14/07/793831407.db2.gz OOCNLDCPKYHZCS-PMPSAXMXSA-N 1 3 306.458 2.011 20 0 DEADHO CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001103088861 793935745 /nfs/dbraw/zinc/93/57/45/793935745.db2.gz YXCJORHZDVQLBM-DJIMGWMZSA-N 1 3 309.498 2.201 20 0 DEADHO CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001103088861 793935748 /nfs/dbraw/zinc/93/57/48/793935748.db2.gz YXCJORHZDVQLBM-DJIMGWMZSA-N 1 3 309.498 2.201 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]Cc1cc(C)ccc1C ZINC001174682662 794039024 /nfs/dbraw/zinc/03/90/24/794039024.db2.gz KLVOORZJUQVROE-UHFFFAOYSA-N 1 3 314.433 2.174 20 0 DEADHO C[C@@H]1C[N@H+](CCC2CC2)C[C@H]1CCNC(=O)CN1CCC[C@@H]1C ZINC001103434340 794090346 /nfs/dbraw/zinc/09/03/46/794090346.db2.gz ZOOCLFUYBXWZCV-SOLBZPMBSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1CCNC(=O)CN1CCC[C@@H]1C ZINC001103434340 794090357 /nfs/dbraw/zinc/09/03/57/794090357.db2.gz ZOOCLFUYBXWZCV-SOLBZPMBSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H](CCCC[NH2+]CCCF)NC(=O)CN1CCC(C)(C)C1 ZINC001175274007 794165117 /nfs/dbraw/zinc/16/51/17/794165117.db2.gz ZXFQJXZLVBBFGP-OAHLLOKOSA-N 1 3 315.477 2.343 20 0 DEADHO C[C@H](CCCC[NH2+]CC1CCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001175263760 794173851 /nfs/dbraw/zinc/17/38/51/794173851.db2.gz QZHDPLKVBDWDDS-HZPDHXFCSA-N 1 3 309.498 2.393 20 0 DEADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](CC[C@@H](C)F)C[C@H]1C ZINC001103663571 794181819 /nfs/dbraw/zinc/18/18/19/794181819.db2.gz IDTQGFSTRIPSTE-BZUAXINKSA-N 1 3 315.477 2.151 20 0 DEADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](CC[C@@H](C)F)C[C@H]1C ZINC001103663571 794181822 /nfs/dbraw/zinc/18/18/22/794181822.db2.gz IDTQGFSTRIPSTE-BZUAXINKSA-N 1 3 315.477 2.151 20 0 DEADHO C[C@@H](F)CC[NH2+]CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001176889741 794522143 /nfs/dbraw/zinc/52/21/43/794522143.db2.gz AYDUSEJGDQDZJA-CQSZACIVSA-N 1 3 309.429 2.206 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1C ZINC001176986275 794546493 /nfs/dbraw/zinc/54/64/93/794546493.db2.gz JCOXAYKRDUJZHS-SFHVURJKSA-N 1 3 317.477 2.465 20 0 DEADHO CC(C)[C@H](C(=O)NCC1([NH2+]CC2CC2)CCCCC1)N(C)C ZINC001115715324 794892609 /nfs/dbraw/zinc/89/26/09/794892609.db2.gz DQQHVFFYUHDNMH-MRXNPFEDSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@H](F)C[NH2+]CCCCCCNC(=O)[C@H](C1CC1)N(C)C ZINC001178698485 794980827 /nfs/dbraw/zinc/98/08/27/794980827.db2.gz IXIOFIHECKIYLD-HOTGVXAUSA-N 1 3 315.477 2.341 20 0 DEADHO CCC(CC)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC001178902519 795027188 /nfs/dbraw/zinc/02/71/88/795027188.db2.gz UWIZSVFOLQCDNG-YOEHRIQHSA-N 1 3 309.498 2.486 20 0 DEADHO Cc1cc(CNCCCCCCNC(=O)CCC[NH+](C)C)on1 ZINC001179400718 795105641 /nfs/dbraw/zinc/10/56/41/795105641.db2.gz UNCUJPVRSLHXTQ-UHFFFAOYSA-N 1 3 324.469 2.091 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H]1C ZINC001179546331 795135514 /nfs/dbraw/zinc/13/55/14/795135514.db2.gz LHRWBWYECFBRKP-ZNMIVQPWSA-N 1 3 313.461 2.045 20 0 DEADHO CC[C@@H](F)C[NH2+]CCCCCCNC(=O)CN1CC[C@H](C)C1 ZINC001179586842 795138726 /nfs/dbraw/zinc/13/87/26/795138726.db2.gz UDHDXUUWHCAGFP-JKSUJKDBSA-N 1 3 315.477 2.343 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)[C@@H]1C ZINC001179982574 795213873 /nfs/dbraw/zinc/21/38/73/795213873.db2.gz AARZGNKETVSWIM-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCCCCF)[C@@H]1C ZINC001179987133 795214560 /nfs/dbraw/zinc/21/45/60/795214560.db2.gz LRRXJMHMCXKFAQ-GJZGRUSLSA-N 1 3 301.450 2.047 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@]1(C)C[NH2+]CCC1CC1 ZINC001181746055 795531050 /nfs/dbraw/zinc/53/10/50/795531050.db2.gz MENKNWZMUNWKAV-CRAIPNDOSA-N 1 3 321.509 2.345 20 0 DEADHO CCCN(C)CC(=O)NC1CC2(C1)CC([NH2+]C[C@H](F)CC)C2 ZINC001122107068 795726288 /nfs/dbraw/zinc/72/62/88/795726288.db2.gz ZMDMVFHYCLBLSG-HOUHCIJLSA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)N(C)CC(=O)NC1CC2(C1)CC([NH2+]CC[C@@H](C)F)C2 ZINC001122249310 795739696 /nfs/dbraw/zinc/73/96/96/795739696.db2.gz SGFXLWXWJSPEPK-HOUHCIJLSA-N 1 3 313.461 2.092 20 0 DEADHO Cc1cc([C@H](N)CC(=O)NC[C@H]2CCCCC[NH2+]2)cc(Cl)n1 ZINC001122390394 795753900 /nfs/dbraw/zinc/75/39/00/795753900.db2.gz ASALXILAONUQOB-ZIAGYGMSSA-N 1 3 324.856 2.082 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C/C=C\Cl)C1 ZINC001183239456 795834700 /nfs/dbraw/zinc/83/47/00/795834700.db2.gz FFPACEAZQYTNSA-SAABFPIUSA-N 1 3 315.889 2.155 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C1)C1CC1 ZINC001183268750 795843106 /nfs/dbraw/zinc/84/31/06/795843106.db2.gz WIDGFXKJDZDHGN-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CCCCCF)C1 ZINC001183759225 795925660 /nfs/dbraw/zinc/92/56/60/795925660.db2.gz IENNHDXXKXZVSZ-CQSZACIVSA-N 1 3 301.450 2.047 20 0 DEADHO CC(C)CCC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001185206454 796212279 /nfs/dbraw/zinc/21/22/79/796212279.db2.gz UIQKKCMXPOXKFE-CVEARBPZSA-N 1 3 320.481 2.463 20 0 DEADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C[NH2+]CCCCCF ZINC001185216181 796215222 /nfs/dbraw/zinc/21/52/22/796215222.db2.gz PTBCXNMLPMQHQD-GJZGRUSLSA-N 1 3 324.444 2.166 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H](C[NH2+]C/C=C\Cl)[C@@H](C)C1 ZINC001185357361 796237598 /nfs/dbraw/zinc/23/75/98/796237598.db2.gz CRSIMIDIBNJCPN-NEFCLYRVSA-N 1 3 315.889 2.155 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H](C[NH2+]CC2CCC2)[C@@H](C)C1 ZINC001185357858 796237967 /nfs/dbraw/zinc/23/79/67/796237967.db2.gz FDCBBDMEOUWRLV-RDJZCZTQSA-N 1 3 309.498 2.203 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H](C[NH2+]CC=C(C)C)[C@@H](C)C1 ZINC001185361309 796238934 /nfs/dbraw/zinc/23/89/34/796238934.db2.gz YEKVWGOVZHHFOQ-DLBZAZTESA-N 1 3 309.498 2.369 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CCC(C)C)[C@H](C)C1 ZINC001185546459 796288488 /nfs/dbraw/zinc/28/84/88/796288488.db2.gz CEYFYCIDGXFRNJ-IAGOWNOFSA-N 1 3 311.514 2.449 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC2CCC2)C1 ZINC001186403955 796398801 /nfs/dbraw/zinc/39/88/01/796398801.db2.gz DUXQYUQLMKIRQP-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)NC(=O)c1ccc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)cc1 ZINC001140615018 796544788 /nfs/dbraw/zinc/54/47/88/796544788.db2.gz WNMWRYALLCJRTO-MSOLQXFVSA-N 1 3 315.461 2.208 20 0 DEADHO CC(C)NC(=O)c1ccc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)cc1 ZINC001140615018 796544792 /nfs/dbraw/zinc/54/47/92/796544792.db2.gz WNMWRYALLCJRTO-MSOLQXFVSA-N 1 3 315.461 2.208 20 0 DEADHO CCOC(=O)c1ccc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)cc1 ZINC001142587106 796751861 /nfs/dbraw/zinc/75/18/61/796751861.db2.gz DQQLJTCULPMVES-SJORKVTESA-N 1 3 302.418 2.247 20 0 DEADHO CCOC(=O)c1ccc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)cc1 ZINC001142587106 796751865 /nfs/dbraw/zinc/75/18/65/796751865.db2.gz DQQLJTCULPMVES-SJORKVTESA-N 1 3 302.418 2.247 20 0 DEADHO CC(C)CCC[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190674470 797056604 /nfs/dbraw/zinc/05/66/04/797056604.db2.gz AWUPIICMOFUDQW-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190674470 797056608 /nfs/dbraw/zinc/05/66/08/797056608.db2.gz AWUPIICMOFUDQW-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001190776037 797075220 /nfs/dbraw/zinc/07/52/20/797075220.db2.gz MHAWUEVZLIDPDC-LJFOUZCWSA-N 1 3 309.498 2.462 20 0 DEADHO CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001190776037 797075228 /nfs/dbraw/zinc/07/52/28/797075228.db2.gz MHAWUEVZLIDPDC-LJFOUZCWSA-N 1 3 309.498 2.462 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001152459080 797190839 /nfs/dbraw/zinc/19/08/39/797190839.db2.gz YEDPJZQFRVMSNZ-YOEHRIQHSA-N 1 3 321.440 2.467 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001152457754 797191192 /nfs/dbraw/zinc/19/11/92/797191192.db2.gz HRNPUCCZGPFPNR-KBPBESRZSA-N 1 3 317.424 2.002 20 0 DEADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)cs1 ZINC001192047410 797303186 /nfs/dbraw/zinc/30/31/86/797303186.db2.gz RWUOLOXWZNOOSN-INIZCTEOSA-N 1 3 323.506 2.431 20 0 DEADHO C[C@H](c1cccc(F)c1)N(C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192151694 797328289 /nfs/dbraw/zinc/32/82/89/797328289.db2.gz BYRALFWENIJWNV-PBHICJAKSA-N 1 3 321.440 2.371 20 0 DEADHO CN(Cc1ccc(Cl)cc1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192163084 797329067 /nfs/dbraw/zinc/32/90/67/797329067.db2.gz TZXVKSZXYKHRGJ-INIZCTEOSA-N 1 3 323.868 2.324 20 0 DEADHO CN(C/C=C\c1ccccc1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192144704 797333132 /nfs/dbraw/zinc/33/31/32/797333132.db2.gz VNNJLHPFOIHJOT-VOCYLRNQSA-N 1 3 315.461 2.184 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)CCc2cccs2)C1 ZINC001192948460 797473502 /nfs/dbraw/zinc/47/35/02/797473502.db2.gz STAXBEWJACVULO-OAHLLOKOSA-N 1 3 323.506 2.165 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)CCc2cccs2)C1 ZINC001192948460 797473505 /nfs/dbraw/zinc/47/35/05/797473505.db2.gz STAXBEWJACVULO-OAHLLOKOSA-N 1 3 323.506 2.165 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)CCC2CCCC2)C1 ZINC001193640091 797598365 /nfs/dbraw/zinc/59/83/65/797598365.db2.gz CRUUCBBSGBCGEZ-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001193640091 797598369 /nfs/dbraw/zinc/59/83/69/797598369.db2.gz CRUUCBBSGBCGEZ-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO [NH3+]C1CCN(c2cccc(NCCC3CCOCC3)n2)CC1 ZINC001154850962 797626088 /nfs/dbraw/zinc/62/60/88/797626088.db2.gz WUICGTMEZOROMO-UHFFFAOYSA-N 1 3 304.438 2.238 20 0 DEADHO Cc1cccc(Cl)c1C[NH2+]CCCNC(=O)[C@@H]1CCCN1C ZINC001155812918 797854276 /nfs/dbraw/zinc/85/42/76/797854276.db2.gz QBSVVWKLMCQRPN-INIZCTEOSA-N 1 3 323.868 2.339 20 0 DEADHO CC[N@H+](CCF)[C@H](C)CNC(=O)[C@@](C)(c1ccccc1)N(C)C ZINC001156341256 797978907 /nfs/dbraw/zinc/97/89/07/797978907.db2.gz CMMUIDLWCIZLKZ-CRAIPNDOSA-N 1 3 323.456 2.260 20 0 DEADHO CC[N@@H+](CCF)[C@H](C)CNC(=O)[C@@](C)(c1ccccc1)N(C)C ZINC001156341256 797978909 /nfs/dbraw/zinc/97/89/09/797978909.db2.gz CMMUIDLWCIZLKZ-CRAIPNDOSA-N 1 3 323.456 2.260 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)N1CCC[N@H+](CCC2CC2)CC1 ZINC001196010462 797992911 /nfs/dbraw/zinc/99/29/11/797992911.db2.gz OCWRVQXULDYYRZ-MRXNPFEDSA-N 1 3 313.461 2.001 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)N1CCC[N@@H+](CCC2CC2)CC1 ZINC001196010462 797992916 /nfs/dbraw/zinc/99/29/16/797992916.db2.gz OCWRVQXULDYYRZ-MRXNPFEDSA-N 1 3 313.461 2.001 20 0 DEADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1ccc2[nH]c(C)cc2c1 ZINC001156546685 798026496 /nfs/dbraw/zinc/02/64/96/798026496.db2.gz KMTLWXJOQZTCKC-UHFFFAOYSA-N 1 3 315.421 2.154 20 0 DEADHO CN(Cc1ccc(N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)nc1)C1CC1 ZINC001157272579 798175595 /nfs/dbraw/zinc/17/55/95/798175595.db2.gz ORGMAGNGIFNSSD-DOTOQJQBSA-N 1 3 300.450 2.206 20 0 DEADHO CN(Cc1ccc(N2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)nc1)C1CC1 ZINC001157272579 798175597 /nfs/dbraw/zinc/17/55/97/798175597.db2.gz ORGMAGNGIFNSSD-DOTOQJQBSA-N 1 3 300.450 2.206 20 0 DEADHO C[C@@]1(CC(=O)N2CCN(CC3CCCCC3)CC2)CC[NH2+]C1 ZINC001157579996 798234807 /nfs/dbraw/zinc/23/48/07/798234807.db2.gz VUZQLLUGYWTTNX-SFHVURJKSA-N 1 3 307.482 2.101 20 0 DEADHO C[N@@H+]1CC[C@H](CC(=O)N2CCCN(CCCCCF)CC2)C1 ZINC001197816926 798248154 /nfs/dbraw/zinc/24/81/54/798248154.db2.gz AYHRHCKKXJUXIF-MRXNPFEDSA-N 1 3 313.461 2.002 20 0 DEADHO C[N@H+]1CC[C@H](CC(=O)N2CCCN(CCCCCF)CC2)C1 ZINC001197816926 798248158 /nfs/dbraw/zinc/24/81/58/798248158.db2.gz AYHRHCKKXJUXIF-MRXNPFEDSA-N 1 3 313.461 2.002 20 0 DEADHO C[C@H](F)CCN1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197885955 798253232 /nfs/dbraw/zinc/25/32/32/798253232.db2.gz LRFZHLHRZGBXMQ-HNNXBMFYSA-N 1 3 301.450 2.001 20 0 DEADHO C[C@H]1[C@H](C[NH3+])CCCN1C(=O)[C@H](N)C12CC3CC(CC(C3)C1)C2 ZINC001157841798 798290874 /nfs/dbraw/zinc/29/08/74/798290874.db2.gz HTYRZWBJTVWMNA-RLPDQUCXSA-N 1 3 319.493 2.116 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]Cc1c(C)cccc1C ZINC001152445596 798322507 /nfs/dbraw/zinc/32/25/07/798322507.db2.gz KINRTPHYHUXNHZ-SFHVURJKSA-N 1 3 317.477 2.384 20 0 DEADHO CC(C)(C(=O)NCCC[NH2+]CCCCCF)N1CCCCC1 ZINC001158079632 798338485 /nfs/dbraw/zinc/33/84/85/798338485.db2.gz KGBKDZJFJPRRPR-UHFFFAOYSA-N 1 3 315.477 2.487 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CCC1CC1)N(C)C ZINC001158124138 798347419 /nfs/dbraw/zinc/34/74/19/798347419.db2.gz IOKMLEXAGLEGCH-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC1CC1)N(C)C ZINC001158124138 798347427 /nfs/dbraw/zinc/34/74/27/798347427.db2.gz IOKMLEXAGLEGCH-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO Cc1csc2ncnc(N3CCC([N@@H+]4CC[C@@H](N)C4)CC3)c12 ZINC001158259923 798368614 /nfs/dbraw/zinc/36/86/14/798368614.db2.gz XMYYCFHBRNFGKB-GFCCVEGCSA-N 1 3 317.462 2.002 20 0 DEADHO Cc1csc2ncnc(N3CCC([N@H+]4CC[C@@H](N)C4)CC3)c12 ZINC001158259923 798368622 /nfs/dbraw/zinc/36/86/22/798368622.db2.gz XMYYCFHBRNFGKB-GFCCVEGCSA-N 1 3 317.462 2.002 20 0 DEADHO COc1cccnc1CNc1cccc(N2CCC([NH3+])CC2)n1 ZINC001158326537 798385719 /nfs/dbraw/zinc/38/57/19/798385719.db2.gz UVBWGHVJLIUPLM-UHFFFAOYSA-N 1 3 313.405 2.025 20 0 DEADHO CC(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC[C@@H]1C ZINC001158474442 798412965 /nfs/dbraw/zinc/41/29/65/798412965.db2.gz ZIYVWGALXXEJAZ-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC[C@@H]1C ZINC001158474442 798412968 /nfs/dbraw/zinc/41/29/68/798412968.db2.gz ZIYVWGALXXEJAZ-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO Cc1c(F)ccnc1N(C1CC[NH2+]CC1)C1CCN(C)CC1 ZINC001158581820 798433405 /nfs/dbraw/zinc/43/34/05/798433405.db2.gz XFULMVCHDHFVLP-UHFFFAOYSA-N 1 3 306.429 2.182 20 0 DEADHO CN1CCC(N(c2ncc(C3CC3)cn2)C2CC[NH2+]CC2)CC1 ZINC001158581011 798433467 /nfs/dbraw/zinc/43/34/67/798433467.db2.gz MTFBRFGFHBIYOJ-UHFFFAOYSA-N 1 3 315.465 2.007 20 0 DEADHO C[NH+]1C(C)(C)CC(Nc2ncc3c(n2)CCNC3)CC1(C)C ZINC001159392164 798559922 /nfs/dbraw/zinc/55/99/22/798559922.db2.gz YGRZZILSWHSRQX-UHFFFAOYSA-N 1 3 303.454 2.186 20 0 DEADHO CN1CCC[C@@H]1C(=O)NCCC1=CC[N@H+](CC2CCCC2)CC1 ZINC001159580887 798584073 /nfs/dbraw/zinc/58/40/73/798584073.db2.gz DSUMYBFAEMEQPX-GOSISDBHSA-N 1 3 319.493 2.409 20 0 DEADHO CN1CCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CC2CCCC2)CC1 ZINC001159580887 798584077 /nfs/dbraw/zinc/58/40/77/798584077.db2.gz DSUMYBFAEMEQPX-GOSISDBHSA-N 1 3 319.493 2.409 20 0 DEADHO CN1CCC[C@@H]1C(=O)NCCC1=CC[N@H+](CCC2CC2)CC1 ZINC001159628934 798590859 /nfs/dbraw/zinc/59/08/59/798590859.db2.gz RGAVPQBIMNIPOV-QGZVFWFLSA-N 1 3 305.466 2.019 20 0 DEADHO CN1CCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CCC2CC2)CC1 ZINC001159628934 798590862 /nfs/dbraw/zinc/59/08/62/798590862.db2.gz RGAVPQBIMNIPOV-QGZVFWFLSA-N 1 3 305.466 2.019 20 0 DEADHO CN(C)C1(C(=O)NCCC[NH2+]C[C@@H]2CCC(F)(F)C2)CCC1 ZINC001159862106 798619353 /nfs/dbraw/zinc/61/93/53/798619353.db2.gz VBEZDOMGTKFPOX-CYBMUJFWSA-N 1 3 317.424 2.002 20 0 DEADHO Cc1ccc(C)c(C[NH2+]CCCNC(=O)[C@H](C2CC2)N(C)C)c1 ZINC001159915617 798624610 /nfs/dbraw/zinc/62/46/10/798624610.db2.gz LCKGVESTJXFCRR-SFHVURJKSA-N 1 3 317.477 2.240 20 0 DEADHO CN(C)[C@@H](C(=O)NCCC[NH2+]Cc1ccccc1Cl)C1CC1 ZINC001159916326 798626281 /nfs/dbraw/zinc/62/62/81/798626281.db2.gz QXRZKQULRBCPTC-MRXNPFEDSA-N 1 3 323.868 2.276 20 0 DEADHO C[C@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C)c1ccccc1 ZINC001159933045 798627797 /nfs/dbraw/zinc/62/77/97/798627797.db2.gz YKNILYRERCWPRS-WMLDXEAASA-N 1 3 303.450 2.184 20 0 DEADHO CN(C)[C@H](C(=O)NCCC[NH2+][C@H]1CCc2ccccc21)C1CC1 ZINC001159933031 798628280 /nfs/dbraw/zinc/62/82/80/798628280.db2.gz YDKSXPVGAOOVLC-ROUUACIJSA-N 1 3 315.461 2.110 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)[C@@H](C2CC2)N(C)C)cc1C ZINC001159932011 798628288 /nfs/dbraw/zinc/62/82/88/798628288.db2.gz MKEIIUHPLYCRKR-GOSISDBHSA-N 1 3 317.477 2.240 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)CN(C)C2CCC2)c(C)c1 ZINC001159997327 798638024 /nfs/dbraw/zinc/63/80/24/798638024.db2.gz MAJXDBQCZKCBJZ-UHFFFAOYSA-N 1 3 317.477 2.384 20 0 DEADHO CCc1cccc(C[NH2+]CCCNC(=O)CN(C)C2CCC2)c1 ZINC001159997369 798638046 /nfs/dbraw/zinc/63/80/46/798638046.db2.gz NXMCARZDGZSCNR-UHFFFAOYSA-N 1 3 317.477 2.329 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC[NH2+][C@@H]1CCc2ccccc21)N(C)C ZINC001160427788 798686320 /nfs/dbraw/zinc/68/63/20/798686320.db2.gz UARUIWSPWHJEKI-MSOLQXFVSA-N 1 3 317.477 2.356 20 0 DEADHO CCCCN(Cc1ccccc1)C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001160429705 798687196 /nfs/dbraw/zinc/68/71/96/798687196.db2.gz XSTSZHNXRUIWDP-KRWDZBQOSA-N 1 3 303.450 2.142 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001160883154 798755261 /nfs/dbraw/zinc/75/52/61/798755261.db2.gz FYNACJNGSKFGBO-MRXNPFEDSA-N 1 3 309.429 2.070 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+][C@H](C)c1cccc(F)c1)N(C)C ZINC001160889640 798756084 /nfs/dbraw/zinc/75/60/84/798756084.db2.gz NDUMVIVXUGKHDO-CZUORRHYSA-N 1 3 309.429 2.323 20 0 DEADHO NC1(C(=O)N2CCC[C@H]([N@H+](Cc3ccccc3)C3CC3)C2)CC1 ZINC001161054507 798788908 /nfs/dbraw/zinc/78/89/08/798788908.db2.gz BLRWHKQLLMVUMX-KRWDZBQOSA-N 1 3 313.445 2.133 20 0 DEADHO NC1(C(=O)N2CCC[C@H]([N@@H+](Cc3ccccc3)C3CC3)C2)CC1 ZINC001161054507 798788914 /nfs/dbraw/zinc/78/89/14/798788914.db2.gz BLRWHKQLLMVUMX-KRWDZBQOSA-N 1 3 313.445 2.133 20 0 DEADHO CC[C@@]1(C(=O)N(C)CCN(C)Cc2ccccc2)CCC[NH2+]C1 ZINC001161160715 798803971 /nfs/dbraw/zinc/80/39/71/798803971.db2.gz DUGZPARKBRNNMH-LJQANCHMSA-N 1 3 317.477 2.357 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC1)N(C)C ZINC001110694494 798970382 /nfs/dbraw/zinc/97/03/82/798970382.db2.gz DRJLYKLXOASPPN-NCOADZHNSA-N 1 3 307.482 2.094 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1)N(C)C ZINC001110694494 798970389 /nfs/dbraw/zinc/97/03/89/798970389.db2.gz DRJLYKLXOASPPN-NCOADZHNSA-N 1 3 307.482 2.094 20 0 DEADHO CC/C=C/CC[NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001202495992 798985558 /nfs/dbraw/zinc/98/55/58/798985558.db2.gz MAVYONILVGINAT-APHBUQMISA-N 1 3 307.482 2.408 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@H+](CCCC(C)(C)C)C[C@H]32)CCC1 ZINC001114407088 799090825 /nfs/dbraw/zinc/09/08/25/799090825.db2.gz QVWDHCPZVGNRIO-ZSHCYNCHSA-N 1 3 321.509 2.343 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCC(C)(C)C)C[C@H]32)CCC1 ZINC001114407088 799090830 /nfs/dbraw/zinc/09/08/30/799090830.db2.gz QVWDHCPZVGNRIO-ZSHCYNCHSA-N 1 3 321.509 2.343 20 0 DEADHO C[C@@H]1C[NH2+]CCC[C@H]1CNc1ccc2c(c1)COC21CNC1 ZINC001162471999 799096249 /nfs/dbraw/zinc/09/62/49/799096249.db2.gz SQUVQFCPYQSYGK-KGLIPLIRSA-N 1 3 301.434 2.063 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3=CCCCC3)C[C@H]21)N(C)C ZINC001114463799 799128957 /nfs/dbraw/zinc/12/89/57/799128957.db2.gz LUAZLYAXQWEEHN-XDNAFOTISA-N 1 3 319.493 2.264 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]21)N(C)C ZINC001114463799 799128961 /nfs/dbraw/zinc/12/89/61/799128961.db2.gz LUAZLYAXQWEEHN-XDNAFOTISA-N 1 3 319.493 2.264 20 0 DEADHO CC[N@H+]1CC=C(c2cnc(-n3nc(CN)cc3C)c(C)c2)CC1 ZINC001163980086 799471378 /nfs/dbraw/zinc/47/13/78/799471378.db2.gz NPZHXJWWAAUHJX-UHFFFAOYSA-N 1 3 311.433 2.452 20 0 DEADHO CC[N@@H+]1CC=C(c2cnc(-n3nc(CN)cc3C)c(C)c2)CC1 ZINC001163980086 799471381 /nfs/dbraw/zinc/47/13/81/799471381.db2.gz NPZHXJWWAAUHJX-UHFFFAOYSA-N 1 3 311.433 2.452 20 0 DEADHO CN(C)C1(CNc2ccccc2C(C)(C)O)CC[NH+](C)CC1 ZINC001164210496 799539394 /nfs/dbraw/zinc/53/93/94/799539394.db2.gz FAJJJTLBVIBYAU-UHFFFAOYSA-N 1 3 305.466 2.352 20 0 DEADHO CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCN1CC(C)C)C2 ZINC001095668918 799687790 /nfs/dbraw/zinc/68/77/90/799687790.db2.gz XTFAHMONUWADMQ-LTIDMASMSA-N 1 3 307.482 2.238 20 0 DEADHO CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCN1CC(C)C)C2 ZINC001095668918 799687793 /nfs/dbraw/zinc/68/77/93/799687793.db2.gz XTFAHMONUWADMQ-LTIDMASMSA-N 1 3 307.482 2.238 20 0 DEADHO Cc1nc(C(C)C)oc1CNCCCNC(=O)CCC[NH+](C)C ZINC001165367158 799714872 /nfs/dbraw/zinc/71/48/72/799714872.db2.gz OKENJVOVSLBMBC-UHFFFAOYSA-N 1 3 324.469 2.044 20 0 DEADHO C[C@H](NCCCNC(=O)CC[NH+](C)C)c1cc(F)ccc1F ZINC001165800590 799776807 /nfs/dbraw/zinc/77/68/07/799776807.db2.gz DIZDBLDXFGNBQR-LBPRGKRZSA-N 1 3 313.392 2.073 20 0 DEADHO CN1CCC(N(Cc2ccco2)C(=O)CC[NH2+]C(C)(C)C)CC1 ZINC000932694629 799895590 /nfs/dbraw/zinc/89/55/90/799895590.db2.gz ZPEFVODAUBGWMZ-UHFFFAOYSA-N 1 3 321.465 2.481 20 0 DEADHO Cc1ccc(CC[NH2+]CCCNC(=O)CN2CCC[C@@H]2C)cc1 ZINC001166627385 799905173 /nfs/dbraw/zinc/90/51/73/799905173.db2.gz UOEFZJKWLQSNOS-KRWDZBQOSA-N 1 3 317.477 2.118 20 0 DEADHO Cc1cc(C[NH2+]CCCNC(=O)CN2CCC[C@@H]2C)c(C)s1 ZINC001166644780 799909445 /nfs/dbraw/zinc/90/94/45/799909445.db2.gz HLUDEZQHPZRIBY-ZDUSSCGKSA-N 1 3 323.506 2.445 20 0 DEADHO C[C@H]([NH2+]CCCNC(=O)CN1CC[C@@H](C)C1)c1ccccc1F ZINC001166676948 799917925 /nfs/dbraw/zinc/91/79/25/799917925.db2.gz FCBRXMRXNFMLBS-CABCVRRESA-N 1 3 321.440 2.324 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)CN2CC[C@H](C)C2)c(C)c1 ZINC001166678119 799917982 /nfs/dbraw/zinc/91/79/82/799917982.db2.gz SJACEGWKHBAQSE-INIZCTEOSA-N 1 3 317.477 2.241 20 0 DEADHO Cc1ccc(F)c(C[NH2+]CCCNC(=O)CN2CC[C@H](C)C2)c1 ZINC001166677148 799918328 /nfs/dbraw/zinc/91/83/28/799918328.db2.gz FYKQDOOGUDQIBH-HNNXBMFYSA-N 1 3 321.440 2.072 20 0 DEADHO CC(C)=CC[NH2+]CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001166686993 799921811 /nfs/dbraw/zinc/92/18/11/799921811.db2.gz GLLLNWFZPLFQND-QGZVFWFLSA-N 1 3 313.461 2.261 20 0 DEADHO CCc1ccccc1CC[NH2+]CCCNC(=O)[C@H](CC)N(C)C ZINC001166858378 799966760 /nfs/dbraw/zinc/96/67/60/799966760.db2.gz RYVJPKUHEFAVIP-SFHVURJKSA-N 1 3 319.493 2.228 20 0 DEADHO CCCN(C)CC(=O)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001203460421 800050671 /nfs/dbraw/zinc/05/06/71/800050671.db2.gz QDRRJXALCGZGIS-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203658505 800101104 /nfs/dbraw/zinc/10/11/04/800101104.db2.gz BWIPEMFXRDOEBT-HOTGVXAUSA-N 1 3 316.449 2.244 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCC2)C12CCC2 ZINC001203791009 800124041 /nfs/dbraw/zinc/12/40/41/800124041.db2.gz BIRBKOSSCPQGAK-HZPDHXFCSA-N 1 3 307.482 2.144 20 0 DEADHO COc1cc(CN2CCC3(C[NH+](C)C3)CC2)ccc1OC(C)=O ZINC001203837449 800130502 /nfs/dbraw/zinc/13/05/02/800130502.db2.gz SXHBUQNQULKTLY-UHFFFAOYSA-N 1 3 318.417 2.148 20 0 DEADHO CCc1cccc2c(C[N@@H+]3CCCC[C@@](O)(CN)C3)c[nH]c21 ZINC001205673707 800398591 /nfs/dbraw/zinc/39/85/91/800398591.db2.gz SVFQULDDIHLQTE-GOSISDBHSA-N 1 3 301.434 2.406 20 0 DEADHO CCc1cccc2c(C[N@H+]3CCCC[C@@](O)(CN)C3)c[nH]c21 ZINC001205673707 800398596 /nfs/dbraw/zinc/39/85/96/800398596.db2.gz SVFQULDDIHLQTE-GOSISDBHSA-N 1 3 301.434 2.406 20 0 DEADHO CCc1cccc2c(CN3CCCC[C@@](O)(C[NH3+])C3)c[nH]c21 ZINC001205673707 800398601 /nfs/dbraw/zinc/39/86/01/800398601.db2.gz SVFQULDDIHLQTE-GOSISDBHSA-N 1 3 301.434 2.406 20 0 DEADHO NC[C@]1(O)CCCC[N@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC001205681505 800401106 /nfs/dbraw/zinc/40/11/06/800401106.db2.gz KRMPKEVKSIQPGD-LJQANCHMSA-N 1 3 311.429 2.424 20 0 DEADHO NC[C@]1(O)CCCC[N@@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC001205681505 800401110 /nfs/dbraw/zinc/40/11/10/800401110.db2.gz KRMPKEVKSIQPGD-LJQANCHMSA-N 1 3 311.429 2.424 20 0 DEADHO [NH3+]C[C@]1(O)CCCCN(Cc2ccc(-c3cccnc3)cc2)C1 ZINC001205681505 800401111 /nfs/dbraw/zinc/40/11/11/800401111.db2.gz KRMPKEVKSIQPGD-LJQANCHMSA-N 1 3 311.429 2.424 20 0 DEADHO C[C@@H]1CC[C@@H](CN)[N@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC001205814761 800425292 /nfs/dbraw/zinc/42/52/92/800425292.db2.gz DGEUNRAAEJTTDK-APWZRJJASA-N 1 3 317.477 2.078 20 0 DEADHO C[C@@H]1CC[C@@H](CN)[N@@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC001205814761 800425295 /nfs/dbraw/zinc/42/52/95/800425295.db2.gz DGEUNRAAEJTTDK-APWZRJJASA-N 1 3 317.477 2.078 20 0 DEADHO C[C@@]1(C[NH3+])CCCN(Cc2cnnn2Cc2ccccc2)CC1 ZINC001206318477 800507779 /nfs/dbraw/zinc/50/77/79/800507779.db2.gz QAVMDGAEDDYDGH-GOSISDBHSA-N 1 3 313.449 2.277 20 0 DEADHO C[C@]1(C[NH3+])CCCN(Cc2cnnn2Cc2ccccc2)CC1 ZINC001206318479 800507813 /nfs/dbraw/zinc/50/78/13/800507813.db2.gz QAVMDGAEDDYDGH-SFHVURJKSA-N 1 3 313.449 2.277 20 0 DEADHO C[C@@]1(C[NH3+])CCCN(Cc2cnn3ccc(Cl)nc23)CC1 ZINC001206336143 800511437 /nfs/dbraw/zinc/51/14/37/800511437.db2.gz KCXASSZZWVMYAL-OAHLLOKOSA-N 1 3 307.829 2.334 20 0 DEADHO C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001206458185 800536172 /nfs/dbraw/zinc/53/61/72/800536172.db2.gz XESJZIDHQODOLW-QILLFSRXSA-N 1 3 304.478 2.414 20 0 DEADHO C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001206458185 800536175 /nfs/dbraw/zinc/53/61/75/800536175.db2.gz XESJZIDHQODOLW-QILLFSRXSA-N 1 3 304.478 2.414 20 0 DEADHO Cn1c2ccccc2c(CN2CCCC[C@](C)(C[NH3+])C2)cc1=O ZINC001206556716 800554924 /nfs/dbraw/zinc/55/49/24/800554924.db2.gz VWBVRQSZRSQLFK-LJQANCHMSA-N 1 3 313.445 2.489 20 0 DEADHO COC(CCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)OC ZINC000686611945 800846959 /nfs/dbraw/zinc/84/69/59/800846959.db2.gz CPXWHQDCUWEWFX-CALCHBBNSA-N 1 3 304.434 2.059 20 0 DEADHO COC(CCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)OC ZINC000686611945 800846966 /nfs/dbraw/zinc/84/69/66/800846966.db2.gz CPXWHQDCUWEWFX-CALCHBBNSA-N 1 3 304.434 2.059 20 0 DEADHO CC(C)[N@@H+]1CCOC[C@]2(CCCN(CCCn3cccn3)C2)C1 ZINC001208075995 800906503 /nfs/dbraw/zinc/90/65/03/800906503.db2.gz FFKFLCGDURTAKT-SFHVURJKSA-N 1 3 320.481 2.096 20 0 DEADHO CC(C)[N@H+]1CCOC[C@]2(CCCN(CCCn3cccn3)C2)C1 ZINC001208075995 800906505 /nfs/dbraw/zinc/90/65/05/800906505.db2.gz FFKFLCGDURTAKT-SFHVURJKSA-N 1 3 320.481 2.096 20 0 DEADHO C[C@@H](Cc1ccc2c(c1)OCO2)CN1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001208226937 800933754 /nfs/dbraw/zinc/93/37/54/800933754.db2.gz RJJSKBQQKNJKDV-ZSZQSSIHSA-N 1 3 316.445 2.477 20 0 DEADHO CN(CC(=O)N1CCC[C@H]([NH2+]CCC(F)(F)F)C1)C1CCC1 ZINC001208339643 800959647 /nfs/dbraw/zinc/95/96/47/800959647.db2.gz BWIBWGZOFSKYGJ-LBPRGKRZSA-N 1 3 321.387 2.004 20 0 DEADHO CC(C)CCC[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001208733218 801058210 /nfs/dbraw/zinc/05/82/10/801058210.db2.gz PUVMOCDZJUBJJM-UHFFFAOYSA-N 1 3 319.493 2.247 20 0 DEADHO CC(C)CCC[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001208733218 801058216 /nfs/dbraw/zinc/05/82/16/801058216.db2.gz PUVMOCDZJUBJJM-UHFFFAOYSA-N 1 3 319.493 2.247 20 0 DEADHO CC(C)Oc1ncccc1CCN1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001208792776 801070119 /nfs/dbraw/zinc/07/01/19/801070119.db2.gz XEULANHHTIHKLC-SJORKVTESA-N 1 3 303.450 2.295 20 0 DEADHO CC(C)Oc1ncccc1CCN1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001208792776 801070124 /nfs/dbraw/zinc/07/01/24/801070124.db2.gz XEULANHHTIHKLC-SJORKVTESA-N 1 3 303.450 2.295 20 0 DEADHO COC(=O)[C@@H]1CCCN(C2CC[NH+](C[C@H]3CCC=CO3)CC2)C1 ZINC001208883986 801087130 /nfs/dbraw/zinc/08/71/30/801087130.db2.gz BDLSYPONVFPCOE-NVXWUHKLSA-N 1 3 322.449 2.029 20 0 DEADHO C[C@H](CN1CCN(CC2CC[NH+](C)CC2)CC1)C(F)(F)F ZINC001208899917 801089273 /nfs/dbraw/zinc/08/92/73/801089273.db2.gz HJWHHALOJXGOCI-CYBMUJFWSA-N 1 3 307.404 2.144 20 0 DEADHO CCC(=O)C(C)(C)CN1CCN(CCC[NH+](CC)CC)CC1 ZINC001208919656 801093682 /nfs/dbraw/zinc/09/36/82/801093682.db2.gz CBBJVRFQHLLMOF-UHFFFAOYSA-N 1 3 311.514 2.341 20 0 DEADHO C[C@@H](c1cccc(F)c1)N1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001229007751 801208049 /nfs/dbraw/zinc/20/80/49/801208049.db2.gz DUGABSHZWFSHRH-AWEZNQCLSA-N 1 3 321.440 2.419 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CCCCCF)C1 ZINC001209631667 801238840 /nfs/dbraw/zinc/23/88/40/801238840.db2.gz HOEWUGCSTNWXRV-HOTGVXAUSA-N 1 3 313.461 2.191 20 0 DEADHO CC1(C)CCN(CC(=O)N2CCC[C@H]([NH2+]C/C=C\Cl)C2)C1 ZINC001209660157 801248560 /nfs/dbraw/zinc/24/85/60/801248560.db2.gz NCQUBZSJLDYPRD-ZBKLQPJUSA-N 1 3 313.873 2.051 20 0 DEADHO COc1cc(CN2CCC3(C2)CC[NH+](C)CC3)cc2c1OCO2 ZINC001209717203 801263636 /nfs/dbraw/zinc/26/36/36/801263636.db2.gz VAINHXQVCZHPRB-UHFFFAOYSA-N 1 3 318.417 2.342 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cncs1 ZINC001229869001 801330816 /nfs/dbraw/zinc/33/08/16/801330816.db2.gz UATVGYBTAGQALG-HUUCEWRRSA-N 1 3 324.494 2.002 20 0 DEADHO CCCN(C)CC(=O)NC1CC[NH+](CCC2CCCC2)CC1 ZINC001230115259 801362727 /nfs/dbraw/zinc/36/27/27/801362727.db2.gz JTYLIEHXDNKXEY-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001210782483 801463338 /nfs/dbraw/zinc/46/33/38/801463338.db2.gz MZEVGSDPEWCTJV-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@@H]([NH2+]CCCF)C1 ZINC001211248082 801536282 /nfs/dbraw/zinc/53/62/82/801536282.db2.gz DBOZGTKBWWXVOM-MRXNPFEDSA-N 1 3 321.440 2.302 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC=C(C)C)C1 ZINC001211258186 801537585 /nfs/dbraw/zinc/53/75/85/801537585.db2.gz ZUOGGINZPJDKOV-IAGOWNOFSA-N 1 3 307.482 2.408 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCC(C)C)C1 ZINC001211256528 801538160 /nfs/dbraw/zinc/53/81/60/801538160.db2.gz IBRGHZDSFLIKEX-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001211284344 801542137 /nfs/dbraw/zinc/54/21/37/801542137.db2.gz LHQBOCTWDFOTIA-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CN1CCN(c2ccc(C[N@@H+]3CCc4ccccc4C3)cn2)CC1 ZINC001232360391 801858748 /nfs/dbraw/zinc/85/87/48/801858748.db2.gz HBEASNRAJSEOLS-UHFFFAOYSA-N 1 3 322.456 2.392 20 0 DEADHO CN1CCN(c2ccc(C[N@H+]3CCc4ccccc4C3)cn2)CC1 ZINC001232360391 801858754 /nfs/dbraw/zinc/85/87/54/801858754.db2.gz HBEASNRAJSEOLS-UHFFFAOYSA-N 1 3 322.456 2.392 20 0 DEADHO C[C@@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)nc2)CCC1(F)F ZINC001232360684 801859033 /nfs/dbraw/zinc/85/90/33/801859033.db2.gz LNJUWAMBCMAGBL-CQSZACIVSA-N 1 3 324.419 2.311 20 0 DEADHO C[C@@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)nc2)CCC1(F)F ZINC001232360684 801859039 /nfs/dbraw/zinc/85/90/39/801859039.db2.gz LNJUWAMBCMAGBL-CQSZACIVSA-N 1 3 324.419 2.311 20 0 DEADHO CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001215473465 801865614 /nfs/dbraw/zinc/86/56/14/801865614.db2.gz ATFYAQQVBOZSDL-APBGNUCKSA-N 1 3 309.498 2.365 20 0 DEADHO COc1cc(C[N@@H+]2CC[C@H](N(C)C)C2)ccc1-n1cnc(C)c1 ZINC001232560279 801919078 /nfs/dbraw/zinc/91/90/78/801919078.db2.gz DVSNUTPVVXNIRB-INIZCTEOSA-N 1 3 314.433 2.325 20 0 DEADHO COc1cc(C[N@H+]2CC[C@H](N(C)C)C2)ccc1-n1cnc(C)c1 ZINC001232560279 801919083 /nfs/dbraw/zinc/91/90/83/801919083.db2.gz DVSNUTPVVXNIRB-INIZCTEOSA-N 1 3 314.433 2.325 20 0 DEADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC2)C1 ZINC001215972987 801923611 /nfs/dbraw/zinc/92/36/11/801923611.db2.gz JOBBXRKOAAQCRT-NVXWUHKLSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1ccc(C[C@H](N)C(=O)Nc2cccc3c2C[NH2+]C3)c(C)c1 ZINC001218995415 802271828 /nfs/dbraw/zinc/27/18/28/802271828.db2.gz VIUBYSVJWSEZJH-KRWDZBQOSA-N 1 3 309.413 2.415 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cc(Cl)cc2ncoc21 ZINC001219412395 802324360 /nfs/dbraw/zinc/32/43/60/802324360.db2.gz NGLJBIOXDBVADY-NSHDSACASA-N 1 3 324.812 2.479 20 0 DEADHO CC(C)C[C@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)c1ccccc1 ZINC001220030977 802403955 /nfs/dbraw/zinc/40/39/55/802403955.db2.gz PKYAGXVLMHEQCL-IRXDYDNUSA-N 1 3 303.450 2.217 20 0 DEADHO C[NH2+]CCCCNC(=O)C[C@@H](N)c1ccc(Cl)cc1Cl ZINC001220077663 802410527 /nfs/dbraw/zinc/41/05/27/802410527.db2.gz RYXOKMXSPQBBMF-CYBMUJFWSA-N 1 3 318.248 2.499 20 0 DEADHO O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)c1cc2c(s1)CNCC2 ZINC001220168086 802420120 /nfs/dbraw/zinc/42/01/20/802420120.db2.gz XRIMPKMZRKXIGO-DYVFJYSZSA-N 1 3 319.474 2.046 20 0 DEADHO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)[C@@H]1C[C@@H](F)CCN1 ZINC001220384626 802452508 /nfs/dbraw/zinc/45/25/08/802452508.db2.gz ZIMLQQZEGSGZRA-CFVMTHIKSA-N 1 3 305.397 2.212 20 0 DEADHO N[C@@H](CCCC[NH3+])C(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1 ZINC001220723446 802489649 /nfs/dbraw/zinc/48/96/49/802489649.db2.gz AEWZWENNNXYNMO-ADHGMGHFSA-N 1 3 315.461 2.141 20 0 DEADHO N[C@@H](CCCC[NH3+])C(=O)NC1(c2cccc3ccccc32)CC1 ZINC001220878850 802506329 /nfs/dbraw/zinc/50/63/29/802506329.db2.gz TWQXPMFQWQTVET-KRWDZBQOSA-N 1 3 311.429 2.401 20 0 DEADHO c1ccc2c(c1)OC[C@H](CN1CCC([C@H]3CCC[NH2+]3)CC1)O2 ZINC000316305420 802506736 /nfs/dbraw/zinc/50/67/36/802506736.db2.gz WOPFFBOMGWUEQD-JKSUJKDBSA-N 1 3 302.418 2.290 20 0 DEADHO N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220884584 802507958 /nfs/dbraw/zinc/50/79/58/802507958.db2.gz HUKHGIOLZMFBPF-RTBURBONSA-N 1 3 323.440 2.092 20 0 DEADHO N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCCCC[NH3+] ZINC001221344652 802558481 /nfs/dbraw/zinc/55/84/81/802558481.db2.gz BKJNOUNWEDJGKA-GOSISDBHSA-N 1 3 311.429 2.079 20 0 DEADHO CCc1cc(CN2CCNC3(CC[NH2+]CC3)C2)ccc1Cl ZINC001222105182 802644444 /nfs/dbraw/zinc/64/44/44/802644444.db2.gz UUSZSZWNCJUJOK-UHFFFAOYSA-N 1 3 307.869 2.430 20 0 DEADHO Cn1ccc2c1cccc2CN1CCNC[C@]2(CCCC[NH2+]2)C1 ZINC001222675032 802726539 /nfs/dbraw/zinc/72/65/39/802726539.db2.gz UKZQDKSVVWVFPY-LJQANCHMSA-N 1 3 312.461 2.096 20 0 DEADHO CC(C)=CC[NH+]1CCC(CNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001223471633 802793170 /nfs/dbraw/zinc/79/31/70/802793170.db2.gz BWQPKJONMSEARG-KRWDZBQOSA-N 1 3 307.482 2.121 20 0 DEADHO C[C@H](F)CC[NH+]1CCC(CNC(=O)CN(C)C2CCC2)CC1 ZINC001223495371 802795651 /nfs/dbraw/zinc/79/56/51/802795651.db2.gz MAURVTSQCUSZPL-AWEZNQCLSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)[C@H](C(=O)NCC1CC[NH+](CCC2CC2)CC1)N(C)C ZINC001224402762 802864391 /nfs/dbraw/zinc/86/43/91/802864391.db2.gz OSHBFNRZARZIKD-QGZVFWFLSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cncs1)N(C)C ZINC001227057511 803193870 /nfs/dbraw/zinc/19/38/70/803193870.db2.gz SQIDSCSJHHXIFL-RBSFLKMASA-N 1 3 324.494 2.000 20 0 DEADHO CN(C)[C@H](C(=O)NC1CC[NH+](CCCCCF)CC1)C1CC1 ZINC001227816294 803284283 /nfs/dbraw/zinc/28/42/83/803284283.db2.gz DBDNXOBVYIHJJH-INIZCTEOSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H](CC[NH+](C)C)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC001417643841 1167105164 /nfs/dbraw/zinc/10/51/64/1167105164.db2.gz IVNMFJDQVITHEB-HZPDHXFCSA-N 1 3 305.466 2.211 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCCC2CCC2)C1)N(C)C ZINC001369987698 1149339696 /nfs/dbraw/zinc/33/96/96/1149339696.db2.gz SECRLEKOJPNOHJ-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)C1)N(C)C ZINC001369987698 1149339707 /nfs/dbraw/zinc/33/97/07/1149339707.db2.gz SECRLEKOJPNOHJ-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](C)N1CCCCCC1 ZINC001331331731 1149420789 /nfs/dbraw/zinc/42/07/89/1149420789.db2.gz CIPPDKPGHMSTCO-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]([NH2+]CC1CC(C)(C)C1)C1CC1)N(C)C ZINC001370214569 1149425310 /nfs/dbraw/zinc/42/53/10/1149425310.db2.gz LXIVHRTXUFGEMU-DLBZAZTESA-N 1 3 323.525 2.493 20 0 DEADHO CN(C(=O)CCNC[C@@H]1CCCC[N@H+](C)C1)c1ccccc1 ZINC001336022412 1150593870 /nfs/dbraw/zinc/59/38/70/1150593870.db2.gz XXSOVSQKAYQGDC-INIZCTEOSA-N 1 3 303.450 2.361 20 0 DEADHO CN(C(=O)CCNC[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC001336022412 1150593884 /nfs/dbraw/zinc/59/38/84/1150593884.db2.gz XXSOVSQKAYQGDC-INIZCTEOSA-N 1 3 303.450 2.361 20 0 DEADHO CN(C(=O)CC[NH2+]C[C@@H]1CCCCN(C)C1)c1ccccc1 ZINC001336022412 1150593896 /nfs/dbraw/zinc/59/38/96/1150593896.db2.gz XXSOVSQKAYQGDC-INIZCTEOSA-N 1 3 303.450 2.361 20 0 DEADHO CC(C)[C@H](C(=O)NCC[N@H+](C)CC1CC2(CCC2)C1)N(C)C ZINC001420344344 1169382365 /nfs/dbraw/zinc/38/23/65/1169382365.db2.gz XNPYTOWAKCAKMO-MRXNPFEDSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@H](C(=O)NCC[N@@H+](C)CC1CC2(CCC2)C1)N(C)C ZINC001420344344 1169382376 /nfs/dbraw/zinc/38/23/76/1169382376.db2.gz XNPYTOWAKCAKMO-MRXNPFEDSA-N 1 3 309.498 2.201 20 0 DEADHO CCc1ccccc1C[NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001420377066 1169432652 /nfs/dbraw/zinc/43/26/52/1169432652.db2.gz NLUBUVMRBHJGLD-OAHLLOKOSA-N 1 3 305.466 2.184 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]C[C@H](C)NC(=O)CN(C)C(C)C ZINC001420516859 1169698095 /nfs/dbraw/zinc/69/80/95/1169698095.db2.gz LULHRBOFQFITLG-AWEZNQCLSA-N 1 3 309.429 2.069 20 0 DEADHO CC[NH2+][C@H](CNC(=O)[C@@H](CC)N(C)C)c1ccccc1CC ZINC001368325417 1148414118 /nfs/dbraw/zinc/41/41/18/1148414118.db2.gz AWPWGYZIMMUKAM-IAGOWNOFSA-N 1 3 305.466 2.356 20 0 DEADHO CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1[C@@H](C)CC[C@@H]1C)C2 ZINC001368350967 1148421473 /nfs/dbraw/zinc/42/14/73/1148421473.db2.gz OESCXXONJNVYDP-VIQHNZTISA-N 1 3 307.482 2.238 20 0 DEADHO CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1[C@@H](C)CC[C@@H]1C)C2 ZINC001368350967 1148421478 /nfs/dbraw/zinc/42/14/78/1148421478.db2.gz OESCXXONJNVYDP-VIQHNZTISA-N 1 3 307.482 2.238 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]([NH2+]C/C=C/Cl)C2)c1 ZINC001370425892 1149698866 /nfs/dbraw/zinc/69/88/66/1149698866.db2.gz HYAAIXTVSIOPNL-YCOJEUHLSA-N 1 3 321.852 2.305 20 0 DEADHO CC(C)(C)OC(=O)NC[C@H](NC[C@@]12C[C@@H]1C[NH2+]C2)C(C)(C)C ZINC001575213761 1069392392 /nfs/dbraw/zinc/39/23/92/1069392392.db2.gz AUAKKYWCOJEICO-IGCXYCKISA-N 1 3 311.470 2.125 20 0 DEADHO Cc1cc(-c2nnn[n-]2)cc(C)c1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC001605521813 1070744539 /nfs/dbraw/zinc/74/45/39/1070744539.db2.gz SXFKCKPKPGJNMY-HNNXBMFYSA-N 1 3 314.437 2.187 20 0 DEADHO Cc1cc(-c2nnn[n-]2)cc(C)c1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC001605521813 1070744552 /nfs/dbraw/zinc/74/45/52/1070744552.db2.gz SXFKCKPKPGJNMY-HNNXBMFYSA-N 1 3 314.437 2.187 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC2CC(C[NH2+]CCCC3CCC3)C2)C1 ZINC001328915536 1148847404 /nfs/dbraw/zinc/84/74/04/1148847404.db2.gz NMOAXQUMUCDRPH-FAEJEUNOSA-N 1 3 321.509 2.393 20 0 DEADHO C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C)C1(C)CC1 ZINC001460888195 1058536062 /nfs/dbraw/zinc/53/60/62/1058536062.db2.gz FCCQIWHQWMINCU-HOCLYGCPSA-N 1 3 303.450 2.184 20 0 DEADHO Cc1cnccc1CNC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001461128054 1058586781 /nfs/dbraw/zinc/58/67/81/1058586781.db2.gz QTISGNMOHMZARH-UHFFFAOYSA-N 1 3 302.466 2.038 20 0 DEADHO CC(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001500620376 1058967560 /nfs/dbraw/zinc/96/75/60/1058967560.db2.gz LYIDQWODRNXOQI-AWEZNQCLSA-N 1 3 319.440 2.056 20 0 DEADHO CC(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001500620376 1058967581 /nfs/dbraw/zinc/96/75/81/1058967581.db2.gz LYIDQWODRNXOQI-AWEZNQCLSA-N 1 3 319.440 2.056 20 0 DEADHO CN(C)CCN(Cc1ccco1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001465793710 1059365248 /nfs/dbraw/zinc/36/52/48/1059365248.db2.gz ZALNVENRCPYTIA-CVEARBPZSA-N 1 3 321.465 2.290 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@]2(CC[N@H+](CCCF)C2)C1 ZINC001502547733 1060173252 /nfs/dbraw/zinc/17/32/52/1060173252.db2.gz CZAIUVADGZCPBB-KRWDZBQOSA-N 1 3 313.461 2.001 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@]2(CC[N@@H+](CCCF)C2)C1 ZINC001502547733 1060173256 /nfs/dbraw/zinc/17/32/56/1060173256.db2.gz CZAIUVADGZCPBB-KRWDZBQOSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@H](C(=O)NC1CC(C[NH2+]CCc2cccs2)C1)N(C)C ZINC001505505453 1060665469 /nfs/dbraw/zinc/66/54/69/1060665469.db2.gz IXIRPGZEGUOJDU-ZBCRRDGASA-N 1 3 323.506 2.115 20 0 DEADHO CC(C)CC[NH2+]CC1CC(NC(=O)CN(C)CC(C)(C)C)C1 ZINC001505518254 1060673019 /nfs/dbraw/zinc/67/30/19/1060673019.db2.gz BWIVGPSOJQYJGC-UHFFFAOYSA-N 1 3 311.514 2.495 20 0 DEADHO c1ncn(-c2ccccc2C[NH2+]C2CCN(CC3CC3)CC2)n1 ZINC001473940445 1060776096 /nfs/dbraw/zinc/77/60/96/1060776096.db2.gz CUGBMBOJHIDEEB-UHFFFAOYSA-N 1 3 311.433 2.231 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCN(C)[C@@H]1C)CC(C)C ZINC001477435373 1061169339 /nfs/dbraw/zinc/16/93/39/1061169339.db2.gz DFDLFRBPELOMRA-OWCLPIDISA-N 1 3 312.502 2.135 20 0 DEADHO CN(C[C@@H]1CCN1CCC1CC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001479238756 1061310675 /nfs/dbraw/zinc/31/06/75/1061310675.db2.gz MDOFVFVIDFJZOT-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](C)CC1CCCC1 ZINC001479816711 1061833009 /nfs/dbraw/zinc/83/30/09/1061833009.db2.gz XFJUXKKPTICBQX-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](C)CC1CCCC1 ZINC001479816711 1061833020 /nfs/dbraw/zinc/83/30/20/1061833020.db2.gz XFJUXKKPTICBQX-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CCCC[N@H+](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001369189000 1148864943 /nfs/dbraw/zinc/86/49/43/1148864943.db2.gz MWMHMDNLNYPVRG-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@@H+](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001369189000 1148864947 /nfs/dbraw/zinc/86/49/47/1148864947.db2.gz MWMHMDNLNYPVRG-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@H](F)CN(CC)CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001479852383 1061912207 /nfs/dbraw/zinc/91/22/07/1061912207.db2.gz HFMJIRDUGZHKKY-JYJNAYRXSA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@H](F)CN(CC)CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001479852383 1061912224 /nfs/dbraw/zinc/91/22/24/1061912224.db2.gz HFMJIRDUGZHKKY-JYJNAYRXSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CCCN1C(C)C)C1CC1 ZINC001480019735 1062194562 /nfs/dbraw/zinc/19/45/62/1062194562.db2.gz MOXXTQFJZXYMPW-SJORKVTESA-N 1 3 309.498 2.390 20 0 DEADHO CC[N@@H+]1C[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C(C)(C)C1 ZINC001506754871 1062369325 /nfs/dbraw/zinc/36/93/25/1062369325.db2.gz YUJVIHDALOVZDH-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO CC[N@H+]1C[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C(C)(C)C1 ZINC001506754871 1062369341 /nfs/dbraw/zinc/36/93/41/1062369341.db2.gz YUJVIHDALOVZDH-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001506861197 1062445984 /nfs/dbraw/zinc/44/59/84/1062445984.db2.gz QYXWFXZQXVUPSN-XHSDSOJGSA-N 1 3 307.482 2.097 20 0 DEADHO CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001506861197 1062446009 /nfs/dbraw/zinc/44/60/09/1062446009.db2.gz QYXWFXZQXVUPSN-XHSDSOJGSA-N 1 3 307.482 2.097 20 0 DEADHO CN(CC(=O)N1CCC[C@H](C[NH2+]C/C=C/Cl)C1)C1CCC1 ZINC001480286233 1062587643 /nfs/dbraw/zinc/58/76/43/1062587643.db2.gz OOFVJIHYPIOFRP-YOIVXCQUSA-N 1 3 313.873 2.051 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCc2ccsc2)CC[N@@H+]1C ZINC001480463816 1062898606 /nfs/dbraw/zinc/89/86/06/1062898606.db2.gz IPJBFCVWQKOHIZ-AEGPPILISA-N 1 3 309.479 2.073 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCc2ccsc2)CC[N@H+]1C ZINC001480463816 1062898624 /nfs/dbraw/zinc/89/86/24/1062898624.db2.gz IPJBFCVWQKOHIZ-AEGPPILISA-N 1 3 309.479 2.073 20 0 DEADHO C[C@@H]1[C@@H]([NH2+]CCC(F)(F)F)CCN1C(=O)CN(C)C1CCC1 ZINC001507283079 1063029881 /nfs/dbraw/zinc/02/98/81/1063029881.db2.gz LHVJMCVKIWJJMY-YPMHNXCESA-N 1 3 321.387 2.002 20 0 DEADHO CC/C=C/CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001507312263 1063079820 /nfs/dbraw/zinc/07/98/20/1063079820.db2.gz HKACGSPWOCNKGY-DOOVEFGSSA-N 1 3 307.482 2.406 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCc2ccccc2)C[C@H]1C ZINC001507338929 1063118976 /nfs/dbraw/zinc/11/89/76/1063118976.db2.gz LMEDJEKZTRLTMD-SJLPKXTDSA-N 1 3 317.477 2.148 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[C@@H]2CCC[N@@H+]2CC2CC2)C1 ZINC001480830093 1063414348 /nfs/dbraw/zinc/41/43/48/1063414348.db2.gz HPMUTMPLUNKPJB-NVXWUHKLSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[C@@H]2CCC[N@H+]2CC2CC2)C1 ZINC001480830093 1063414356 /nfs/dbraw/zinc/41/43/56/1063414356.db2.gz HPMUTMPLUNKPJB-NVXWUHKLSA-N 1 3 307.482 2.099 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CCF ZINC001480832630 1063423218 /nfs/dbraw/zinc/42/32/18/1063423218.db2.gz CXVWYCIZHNBEEP-HZPDHXFCSA-N 1 3 313.461 2.191 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CCF ZINC001480832630 1063423232 /nfs/dbraw/zinc/42/32/32/1063423232.db2.gz CXVWYCIZHNBEEP-HZPDHXFCSA-N 1 3 313.461 2.191 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCc1ccc(C[NH2+]C(C)C)cc1F ZINC001508240560 1063626122 /nfs/dbraw/zinc/62/61/22/1063626122.db2.gz BHYWWMOBOBCLHR-UHFFFAOYSA-N 1 3 318.396 2.214 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CC[N@H+](CC2CCC2)C1)N1CCCCC1 ZINC001493201340 1063632117 /nfs/dbraw/zinc/63/21/17/1063632117.db2.gz MBWGEFBIVPNJTR-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CC[N@@H+](CC2CCC2)C1)N1CCCCC1 ZINC001493201340 1063632124 /nfs/dbraw/zinc/63/21/24/1063632124.db2.gz MBWGEFBIVPNJTR-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO Cc1ccc(C[NH2+]CCN(C)C(=O)CN2CC[C@H](C)C2)cc1F ZINC001493694385 1063921084 /nfs/dbraw/zinc/92/10/84/1063921084.db2.gz DMIBNAMZJUIOJO-AWEZNQCLSA-N 1 3 321.440 2.024 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)CC[NH2+]CCC2CCCCC2)C1 ZINC001493695005 1063923657 /nfs/dbraw/zinc/92/36/57/1063923657.db2.gz LBYPPKNOYFNYRS-MRXNPFEDSA-N 1 3 309.498 2.347 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[NH2+]Cc1cc(C)ccc1C ZINC001567593592 1064269271 /nfs/dbraw/zinc/26/92/71/1064269271.db2.gz KKFCVEFMGGZQGA-UHFFFAOYSA-N 1 3 305.466 2.193 20 0 DEADHO CC(C)CC[NH2+]CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001568081166 1064636574 /nfs/dbraw/zinc/63/65/74/1064636574.db2.gz UMFGFGDLLXUFAW-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)C[NH2+]C/C=C/Cl ZINC001568171966 1064681200 /nfs/dbraw/zinc/68/12/00/1064681200.db2.gz LFQJHIIFWGDNHG-NPQIQWPPSA-N 1 3 315.889 2.345 20 0 DEADHO CC(C)(O)CCN1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001620615904 1078165755 /nfs/dbraw/zinc/16/57/55/1078165755.db2.gz JHKOBBYQIINUIR-UHFFFAOYSA-N 1 3 320.477 2.372 20 0 DEADHO CC(C)(O)CCN1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001620615904 1078165757 /nfs/dbraw/zinc/16/57/57/1078165757.db2.gz JHKOBBYQIINUIR-UHFFFAOYSA-N 1 3 320.477 2.372 20 0 DEADHO C[C@H]1CCN(CC(=O)NC/C=C\C[NH2+]CCC2CCCC2)C1 ZINC001568920512 1065191729 /nfs/dbraw/zinc/19/17/29/1065191729.db2.gz WYNOSIIYFWNCFC-AWFCHZOYSA-N 1 3 307.482 2.171 20 0 DEADHO C[C@H](C[NH2+]Cc1ccsc1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001496084356 1065269198 /nfs/dbraw/zinc/26/91/98/1065269198.db2.gz ZELPJLVNAWNXAT-CYBMUJFWSA-N 1 3 309.479 2.169 20 0 DEADHO CN(CCC[NH2+]CCCCC(F)(F)F)C(=O)[C@@H]1CCCN1C ZINC001569188830 1065352068 /nfs/dbraw/zinc/35/20/68/1065352068.db2.gz MXAJXHOMXYZHCA-ZDUSSCGKSA-N 1 3 323.403 2.251 20 0 DEADHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H](CNCCF)C1CCCC1 ZINC001569604058 1065617003 /nfs/dbraw/zinc/61/70/03/1065617003.db2.gz LGMQKITUZZBWRY-JKSUJKDBSA-N 1 3 313.461 2.095 20 0 DEADHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@H](CNCCF)C1CCCC1 ZINC001569604058 1065617006 /nfs/dbraw/zinc/61/70/06/1065617006.db2.gz LGMQKITUZZBWRY-JKSUJKDBSA-N 1 3 313.461 2.095 20 0 DEADHO CC(C)(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001569684496 1065670632 /nfs/dbraw/zinc/67/06/32/1065670632.db2.gz DIOWAZFKQLYLIJ-QGZVFWFLSA-N 1 3 306.454 2.217 20 0 DEADHO CCC1([NH2+]CC=C(C)C)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001570252329 1065990825 /nfs/dbraw/zinc/99/08/25/1065990825.db2.gz KYDMGHPQTLHGIE-MRXNPFEDSA-N 1 3 307.482 2.408 20 0 DEADHO CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc1ccc(C)cc1C)N(C)C ZINC001497680042 1066233878 /nfs/dbraw/zinc/23/38/78/1066233878.db2.gz KBVITBXNYXZIPS-ZEVQVBBLSA-N 1 3 317.477 2.406 20 0 DEADHO CC(C)Cc1ccc([C@H](CNC(=O)C[NH2+]C2CC2)N(C)C)cc1 ZINC001575648187 1066389125 /nfs/dbraw/zinc/38/91/25/1066389125.db2.gz IIYNKOBOCBPWSE-SFHVURJKSA-N 1 3 317.477 2.356 20 0 DEADHO C[C@@H](CCNCc1nc2c(s1)CNCC2)[NH+]1CCCCC1 ZINC001575967752 1066467934 /nfs/dbraw/zinc/46/79/34/1066467934.db2.gz QAFHSBJVOGKVSL-ZDUSSCGKSA-N 1 3 308.495 2.143 20 0 DEADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001576117431 1066496869 /nfs/dbraw/zinc/49/68/69/1066496869.db2.gz OKTRZLWXDNUTDD-UKRRQHHQSA-N 1 3 311.470 2.303 20 0 DEADHO C[C@@H](C[NH2+]CCC1CC1)NC(=O)c1cccc(CN(C)C)c1 ZINC001498196957 1066549954 /nfs/dbraw/zinc/54/99/54/1066549954.db2.gz CVHAGWHSDIYYQM-AWEZNQCLSA-N 1 3 303.450 2.256 20 0 DEADHO CC1(C)C[NH2+]CC[C@H](NC[C@H](c2nnc[nH]2)c2ccccc2)C1 ZINC001576478907 1066619274 /nfs/dbraw/zinc/61/92/74/1066619274.db2.gz TXZNQHUOTJCZLJ-HOTGVXAUSA-N 1 3 313.449 2.304 20 0 DEADHO C[C@H]1C[C@H](CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)CC[NH2+]1 ZINC001576599938 1066643384 /nfs/dbraw/zinc/64/33/84/1066643384.db2.gz YTLQOXDOXJIPSL-SOUVJXGZSA-N 1 3 311.470 2.316 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CCCF)CCC1 ZINC001498487500 1066740223 /nfs/dbraw/zinc/74/02/23/1066740223.db2.gz RAMNWTHWUHXZOI-LSDHHAIUSA-N 1 3 313.461 2.095 20 0 DEADHO C[C@H]([NH2+]CCCF)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001484346781 1079554791 /nfs/dbraw/zinc/55/47/91/1079554791.db2.gz CQANTJDKQLDVBG-GJZGRUSLSA-N 1 3 315.477 2.151 20 0 DEADHO CCC([NH3+])(CC)CNC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC001577107447 1066764554 /nfs/dbraw/zinc/76/45/54/1066764554.db2.gz YYJLSXLQGIKOMJ-INIZCTEOSA-N 1 3 321.465 2.368 20 0 DEADHO Cc1ccccc1C[NH2+]CCCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001498614094 1066803584 /nfs/dbraw/zinc/80/35/84/1066803584.db2.gz WALZDAHXDOLKJH-MRXNPFEDSA-N 1 3 317.477 2.275 20 0 DEADHO C[C@H]([NH2+]CCCN(C)C(=O)CN1CCCC1)c1cccc(F)c1 ZINC001498653574 1066823023 /nfs/dbraw/zinc/82/30/23/1066823023.db2.gz QAPOAMYSHJMXII-HNNXBMFYSA-N 1 3 321.440 2.421 20 0 DEADHO CCC[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC001577377786 1066828426 /nfs/dbraw/zinc/82/84/26/1066828426.db2.gz XHYOMLTYYYCLKB-GVDBMIGSSA-N 1 3 309.498 2.380 20 0 DEADHO CN(C)c1nc2c(s1)CN(CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001578430536 1067099687 /nfs/dbraw/zinc/09/96/87/1067099687.db2.gz WKEYOHNDZFLERP-AGUYFDCRSA-N 1 3 320.506 2.488 20 0 DEADHO CN(CCOCC[NH3+])Cc1cccc(Oc2ccccn2)c1 ZINC001578477450 1067115207 /nfs/dbraw/zinc/11/52/07/1067115207.db2.gz SSZCOXUBTFVIGY-UHFFFAOYSA-N 1 3 301.390 2.281 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC001578529250 1067124581 /nfs/dbraw/zinc/12/45/81/1067124581.db2.gz SDXGANFJWXWBBP-DLBZAZTESA-N 1 3 315.461 2.279 20 0 DEADHO CNC[C@H](O)C[NH2+][C@H](COc1c(C)cccc1C)C(C)(C)C ZINC001578654010 1067144796 /nfs/dbraw/zinc/14/47/96/1067144796.db2.gz GSYVLMUTMKLGPB-JKSUJKDBSA-N 1 3 308.466 2.267 20 0 DEADHO C[NH2+]CCC(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC001578674087 1067148282 /nfs/dbraw/zinc/14/82/82/1067148282.db2.gz MMOQLDAVEPKMSX-UHFFFAOYSA-N 1 3 303.328 2.315 20 0 DEADHO C[NH2+]Cc1ccccc1CNCc1ccc2c(c1)oc(=O)n2C ZINC001578741376 1067159837 /nfs/dbraw/zinc/15/98/37/1067159837.db2.gz LVTVBWFJAQLNTQ-UHFFFAOYSA-N 1 3 311.385 2.141 20 0 DEADHO O=C(NCC1(NCc2ccsc2)CC1)C12CCC[NH+]1CCC2 ZINC001499278811 1067167130 /nfs/dbraw/zinc/16/71/30/1067167130.db2.gz LORIPXGPPBNELS-UHFFFAOYSA-N 1 3 319.474 2.115 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1([NH2+]Cc2ccccc2)CC1 ZINC001499462065 1067229057 /nfs/dbraw/zinc/22/90/57/1067229057.db2.gz XMHOQULWYHWJOB-HZPDHXFCSA-N 1 3 315.461 2.298 20 0 DEADHO Cc1ccccc1C[NH2+]CCN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001267004680 1078493471 /nfs/dbraw/zinc/49/34/71/1078493471.db2.gz HDCZYKBYSZQIBP-KRWDZBQOSA-N 1 3 305.466 2.129 20 0 DEADHO Cc1c(C[C@H](CN)C[NH2+][C@@H]2CCO[C@H](CC(C)C)C2)cnn1C ZINC001579529538 1067362538 /nfs/dbraw/zinc/36/25/38/1067362538.db2.gz KLJZKVKIJQFCJO-KBAYOESNSA-N 1 3 322.497 2.029 20 0 DEADHO Cc1nc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)sc1C ZINC001579858036 1067440016 /nfs/dbraw/zinc/44/00/16/1067440016.db2.gz QUSGLSQYMRHNTO-SOUVJXGZSA-N 1 3 309.479 2.478 20 0 DEADHO Cc1nnsc1[C@H](C)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001579915706 1067451954 /nfs/dbraw/zinc/45/19/54/1067451954.db2.gz RZHGIDPMHMPEDE-XDQVBPFNSA-N 1 3 310.467 2.126 20 0 DEADHO CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001267057179 1078533122 /nfs/dbraw/zinc/53/31/22/1078533122.db2.gz CFWAKRGPNVWPTP-XLYSIVADSA-N 1 3 307.482 2.123 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+]CC1CCCCC1 ZINC001267116563 1078593938 /nfs/dbraw/zinc/59/39/38/1078593938.db2.gz DMCUWMUIDFOFLG-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]CC1=CCCCC1)C1CC1 ZINC001483608890 1078624668 /nfs/dbraw/zinc/62/46/68/1078624668.db2.gz VTLOXASNVUJLDO-QGZVFWFLSA-N 1 3 307.482 2.311 20 0 DEADHO C[C@@H]([NH2+]CCCF)[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001570604987 1068033136 /nfs/dbraw/zinc/03/31/36/1068033136.db2.gz OSTQELJTDJTAIT-KGLIPLIRSA-N 1 3 301.450 2.093 20 0 DEADHO CN(CC(=O)N[C@@H]1CC[C@H](C[NH2+]C/C=C/Cl)C1)C1CCC1 ZINC001571535758 1068403843 /nfs/dbraw/zinc/40/38/43/1068403843.db2.gz GMAXOYHEKADPPP-IUGWJDQWSA-N 1 3 313.873 2.098 20 0 DEADHO CC/C=C\CC[NH2+]C1CC(N(C)C(=O)CN2CC[C@@H](C)C2)C1 ZINC001571661935 1068467563 /nfs/dbraw/zinc/46/75/63/1068467563.db2.gz JWIYAIPLCRTWQC-OKNMNHDDSA-N 1 3 307.482 2.264 20 0 DEADHO CCCCCCN(C)CC(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC001641692908 1078723312 /nfs/dbraw/zinc/72/33/12/1078723312.db2.gz HNWYCGPDNJMCLI-QZTJIDSGSA-N 1 3 309.498 2.299 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@H]1CCN1CC/C=C\c1ccccc1 ZINC001483675716 1078775678 /nfs/dbraw/zinc/77/56/78/1078775678.db2.gz DLVCACMCONPRTI-OEPRFQHASA-N 1 3 315.461 2.232 20 0 DEADHO C[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CC1CCC1)N1CCCCCC1 ZINC001483697838 1078816466 /nfs/dbraw/zinc/81/64/66/1078816466.db2.gz LLIAHTIOGPRSLZ-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H](C(=O)NC[C@@H]1CC[N@H+]1CC1CCC1)N1CCCCCC1 ZINC001483697838 1078816469 /nfs/dbraw/zinc/81/64/69/1078816469.db2.gz LLIAHTIOGPRSLZ-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H](C(=O)NC[C@@H]1CCN1CC1CCC1)[NH+]1CCCCCC1 ZINC001483697838 1078816474 /nfs/dbraw/zinc/81/64/74/1078816474.db2.gz LLIAHTIOGPRSLZ-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@@H]1CN[C@@H](CC)CN1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC001573718587 1069078973 /nfs/dbraw/zinc/07/89/73/1069078973.db2.gz LKQXICCWIJRCFZ-JKSUJKDBSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CC2CCC2)C1)N(C)C ZINC001272466483 1078899676 /nfs/dbraw/zinc/89/96/76/1078899676.db2.gz SIVGUMUXTXXARE-SJORKVTESA-N 1 3 309.498 2.201 20 0 DEADHO CN(C)CCN1CC[C@]2(CCC[N@H+](CC3CCC3)CC2)C1=O ZINC001272516709 1078944518 /nfs/dbraw/zinc/94/45/18/1078944518.db2.gz JHAFEBANWFZUSX-GOSISDBHSA-N 1 3 307.482 2.053 20 0 DEADHO CN(C)CCN1CC[C@]2(CCC[N@@H+](CC3CCC3)CC2)C1=O ZINC001272516709 1078944522 /nfs/dbraw/zinc/94/45/22/1078944522.db2.gz JHAFEBANWFZUSX-GOSISDBHSA-N 1 3 307.482 2.053 20 0 DEADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CCc1cccs1 ZINC001369248303 1148881179 /nfs/dbraw/zinc/88/11/79/1148881179.db2.gz DLEHZYRHOQFTSG-CQSZACIVSA-N 1 3 323.506 2.211 20 0 DEADHO CC1(C)CN(C(=O)c2cccc(CN3CCCC3)c2)C[C@@H]1[NH3+] ZINC001548584882 1072699047 /nfs/dbraw/zinc/69/90/47/1072699047.db2.gz NVEJQSGQDBBEBZ-INIZCTEOSA-N 1 3 301.434 2.092 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1(NC/C=C\Cl)CC1 ZINC001483745832 1078984070 /nfs/dbraw/zinc/98/40/70/1078984070.db2.gz IYILQYHASAELOM-SMGNDMQFSA-N 1 3 313.873 2.098 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1(NC/C=C\Cl)CC1 ZINC001483745832 1078984076 /nfs/dbraw/zinc/98/40/76/1078984076.db2.gz IYILQYHASAELOM-SMGNDMQFSA-N 1 3 313.873 2.098 20 0 DEADHO CCn1cc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CCCC[C@H]2CN)cn1 ZINC001549338670 1073130830 /nfs/dbraw/zinc/13/08/30/1073130830.db2.gz WZMDXWOARWXDSX-BURFUSLBSA-N 1 3 320.481 2.478 20 0 DEADHO CCN1CCCN(C(=O)Nc2ccc([C@H]3C[C@@H]3[NH3+])cc2)CC1 ZINC001549785902 1073266694 /nfs/dbraw/zinc/26/66/94/1073266694.db2.gz BYJOONCCMPRMEP-CVEARBPZSA-N 1 3 302.422 2.061 20 0 DEADHO [NH3+][C@H]1CCCCC[C@H]1C(=O)Nc1ccc2c(c1)OCCNC2 ZINC001549902385 1073325288 /nfs/dbraw/zinc/32/52/88/1073325288.db2.gz CEWLPOVVGFPZFT-CABCVRRESA-N 1 3 303.406 2.015 20 0 DEADHO CCC1([NH+]2CCC2)CCN(C(=O)c2cccc3c2CNC3)CC1 ZINC001550229671 1073520037 /nfs/dbraw/zinc/52/00/37/1073520037.db2.gz QXAOGVXHGXPHIG-UHFFFAOYSA-N 1 3 313.445 2.380 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](N[C@@H](C)c1ccns1)[C@@H](O)C2 ZINC001550521409 1073691551 /nfs/dbraw/zinc/69/15/51/1073691551.db2.gz IQBBUNLLQBWAGT-AKIOZOGOSA-N 1 3 309.479 2.273 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](N[C@@H](C)c1ccns1)[C@@H](O)C2 ZINC001550521409 1073691552 /nfs/dbraw/zinc/69/15/52/1073691552.db2.gz IQBBUNLLQBWAGT-AKIOZOGOSA-N 1 3 309.479 2.273 20 0 DEADHO Cc1cc(F)ncc1CN[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC001550663241 1073780787 /nfs/dbraw/zinc/78/07/87/1073780787.db2.gz FQIXPNSQAPJCKW-AHCXZYCDSA-N 1 3 321.440 2.098 20 0 DEADHO Cc1cc(F)ncc1CN[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC001550663241 1073780792 /nfs/dbraw/zinc/78/07/92/1073780792.db2.gz FQIXPNSQAPJCKW-AHCXZYCDSA-N 1 3 321.440 2.098 20 0 DEADHO CC[C@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)c1cnn(C)c1 ZINC001551390861 1074202156 /nfs/dbraw/zinc/20/21/56/1074202156.db2.gz OYQXMHRVRIYCED-ADKAHSJRSA-N 1 3 320.481 2.494 20 0 DEADHO C[C@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)c1cc[nH]c(=O)c1 ZINC001551402322 1074206767 /nfs/dbraw/zinc/20/67/67/1074206767.db2.gz ULKARZJDWRRNBB-NXVRBGIVSA-N 1 3 319.449 2.471 20 0 DEADHO C[C@@H]1CN(C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)[C@@H](C)CN1 ZINC001551482428 1074237109 /nfs/dbraw/zinc/23/71/09/1074237109.db2.gz XPDGPMJXPXPBMI-MHAAMQRSSA-N 1 3 322.497 2.175 20 0 DEADHO CC[NH+](CC)CCC[C@@H](C)NCc1ccc(S(C)(=O)=O)o1 ZINC001649839235 1079254426 /nfs/dbraw/zinc/25/44/26/1079254426.db2.gz YQAKZMSHSGUTPJ-CYBMUJFWSA-N 1 3 316.467 2.283 20 0 DEADHO C[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)[C@H]1CCCN(C2CCC2)C1 ZINC001646314910 1074410279 /nfs/dbraw/zinc/41/02/79/1074410279.db2.gz RXNOBBGHMDYLAI-HITLURFISA-N 1 3 308.466 2.033 20 0 DEADHO C[C@H](NC[C@@H]1C[C@@H]2COC[C@@H]2O1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001646314910 1074410283 /nfs/dbraw/zinc/41/02/83/1074410283.db2.gz RXNOBBGHMDYLAI-HITLURFISA-N 1 3 308.466 2.033 20 0 DEADHO C[C@H](NC[C@@H]1C[C@@H]2COC[C@@H]2O1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001646314910 1074410287 /nfs/dbraw/zinc/41/02/87/1074410287.db2.gz RXNOBBGHMDYLAI-HITLURFISA-N 1 3 308.466 2.033 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)[C@@H]2C[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001552150887 1074476354 /nfs/dbraw/zinc/47/63/54/1074476354.db2.gz BATOYLASVBSKCB-IAGOWNOFSA-N 1 3 321.509 2.203 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CCCC[C@H]2[NH3+])N(C)C)cc1 ZINC001649858296 1079269325 /nfs/dbraw/zinc/26/93/25/1079269325.db2.gz UBCXZTWJWWHDPV-ZACQAIPSSA-N 1 3 303.450 2.231 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001646618252 1074503094 /nfs/dbraw/zinc/50/30/94/1074503094.db2.gz HYPIEMBNQXCJIZ-KRWDZBQOSA-N 1 3 303.450 2.005 20 0 DEADHO FC(F)CN1CCC([NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC001649883761 1079284806 /nfs/dbraw/zinc/28/48/06/1079284806.db2.gz PUQRCKKJVKOVHS-HNNXBMFYSA-N 1 3 315.452 2.428 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CCCC[NH2+]C2)C1 ZINC001552387019 1074562234 /nfs/dbraw/zinc/56/22/34/1074562234.db2.gz LMEHVENSQUISMC-NXHRZFHOSA-N 1 3 315.461 2.328 20 0 DEADHO CC[C@H](CNC(=O)CC(C)(C)C[NH3+])N1CCc2ccccc2C1 ZINC001646735728 1074585518 /nfs/dbraw/zinc/58/55/18/1074585518.db2.gz CGEWTVUUYKYDJH-QGZVFWFLSA-N 1 3 317.477 2.315 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)C2([NH2+]C)CCC2)N(C)C)cc1 ZINC001646735499 1074585665 /nfs/dbraw/zinc/58/56/65/1074585665.db2.gz BSOQTORPKYVFAY-MRXNPFEDSA-N 1 3 303.450 2.110 20 0 DEADHO C[C@@H]1C[C@H](C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC[NH2+]1 ZINC001646736268 1074586461 /nfs/dbraw/zinc/58/64/61/1074586461.db2.gz HRRVLLIYVZWVIM-NXHRZFHOSA-N 1 3 315.461 2.328 20 0 DEADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC[C@@H]3CCN3C(C)(C)C)C[N@@H+]2C1 ZINC001649328182 1075038463 /nfs/dbraw/zinc/03/84/63/1075038463.db2.gz POVCXVVEFZGPFL-WCVJEAGWSA-N 1 3 307.482 2.096 20 0 DEADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC[C@@H]3CCN3C(C)(C)C)C[N@H+]2C1 ZINC001649328182 1075038464 /nfs/dbraw/zinc/03/84/64/1075038464.db2.gz POVCXVVEFZGPFL-WCVJEAGWSA-N 1 3 307.482 2.096 20 0 DEADHO Cc1cccc(C[N@@H+](C)CCCNC(=O)CN(C)C2CCC2)c1 ZINC001566461083 1075250466 /nfs/dbraw/zinc/25/04/66/1075250466.db2.gz MZRYTBWJTMNZRS-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO Cc1cccc(C[N@H+](C)CCCNC(=O)CN(C)C2CCC2)c1 ZINC001566461083 1075250468 /nfs/dbraw/zinc/25/04/68/1075250468.db2.gz MZRYTBWJTMNZRS-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO CC(C)=CCN1CC[C@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001267778792 1079489384 /nfs/dbraw/zinc/48/93/84/1079489384.db2.gz HJOYEVVSSQPTLL-KRWDZBQOSA-N 1 3 307.482 2.361 20 0 DEADHO O[C@H](CNC1(c2ccc(F)cc2F)CCC1)C1CC[NH2+]CC1 ZINC001580878181 1076011301 /nfs/dbraw/zinc/01/13/01/1076011301.db2.gz LIGZGCVIBXDABM-MRXNPFEDSA-N 1 3 310.388 2.294 20 0 DEADHO c1nnn(-c2ccccc2)c1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC001580892158 1076016372 /nfs/dbraw/zinc/01/63/72/1076016372.db2.gz PAMPOBGFOFTNLR-JKSUJKDBSA-N 1 3 311.433 2.089 20 0 DEADHO C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(-c2nnn[n-]2)cc1 ZINC001589965929 1076538490 /nfs/dbraw/zinc/53/84/90/1076538490.db2.gz SRULWIZMVYHKQX-AVRGHOLYSA-N 1 3 312.421 2.048 20 0 DEADHO C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(-c2nn[n-]n2)cc1 ZINC001589965929 1076538495 /nfs/dbraw/zinc/53/84/95/1076538495.db2.gz SRULWIZMVYHKQX-AVRGHOLYSA-N 1 3 312.421 2.048 20 0 DEADHO CC[C@@H](C)C[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC001650369351 1079568019 /nfs/dbraw/zinc/56/80/19/1079568019.db2.gz WZAQLNNYEUBJKX-MXASKKJJSA-N 1 3 303.450 2.012 20 0 DEADHO CN(C)C[C@@H](NC(=O)c1ccc(C[NH3+])cc1)c1ccc(F)cc1 ZINC001650444220 1079628884 /nfs/dbraw/zinc/62/88/84/1079628884.db2.gz WXMONWCEGSQUCZ-QGZVFWFLSA-N 1 3 315.392 2.317 20 0 DEADHO CN(CCC[N@H+](C)CC1CCCCC1)C(=O)CN1CCCC1 ZINC001484768137 1079793427 /nfs/dbraw/zinc/79/34/27/1079793427.db2.gz GYHYFHCGWNJNCF-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CN(CCC[N@@H+](C)CC1CCCCC1)C(=O)CN1CCCC1 ZINC001484768137 1079793431 /nfs/dbraw/zinc/79/34/31/1079793431.db2.gz GYHYFHCGWNJNCF-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CCC1([NH2+]CC[C@@H](C)F)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001484814489 1079805358 /nfs/dbraw/zinc/80/53/58/1079805358.db2.gz KIGWURAWVZWXBT-HUUCEWRRSA-N 1 3 313.461 2.190 20 0 DEADHO CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001481451279 1079875294 /nfs/dbraw/zinc/87/52/94/1079875294.db2.gz PWKXTJPZSIPZER-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001481451279 1079875304 /nfs/dbraw/zinc/87/53/04/1079875304.db2.gz PWKXTJPZSIPZER-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+](CCC1CC1)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001485032575 1079928159 /nfs/dbraw/zinc/92/81/59/1079928159.db2.gz BGHCDUMFOTZRPJ-UHFFFAOYSA-N 1 3 318.465 2.313 20 0 DEADHO CC[N@@H+](CCC1CC1)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001485032575 1079928164 /nfs/dbraw/zinc/92/81/64/1079928164.db2.gz BGHCDUMFOTZRPJ-UHFFFAOYSA-N 1 3 318.465 2.313 20 0 DEADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+]CC2=CCCCC2)C1 ZINC001485110573 1079987461 /nfs/dbraw/zinc/98/74/61/1079987461.db2.gz NSZNKWZRYPEOOQ-UHFFFAOYSA-N 1 3 307.482 2.311 20 0 DEADHO CC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]2C1 ZINC001656817587 1080127464 /nfs/dbraw/zinc/12/74/64/1080127464.db2.gz GMMXSIWVGYIKFA-OCXQYPQTSA-N 1 3 321.509 2.463 20 0 DEADHO CC/C=C/CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]2C1 ZINC001656817587 1080127465 /nfs/dbraw/zinc/12/74/65/1080127465.db2.gz GMMXSIWVGYIKFA-OCXQYPQTSA-N 1 3 321.509 2.463 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@H+](CC1CCC1)C2 ZINC000982012177 1080184448 /nfs/dbraw/zinc/18/44/48/1080184448.db2.gz RKVSLHZGEALIMJ-MRXNPFEDSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC000982012177 1080184451 /nfs/dbraw/zinc/18/44/51/1080184451.db2.gz RKVSLHZGEALIMJ-MRXNPFEDSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@H](NC(=O)C(C)(C)N1CCCCC1)C1C[NH+](CCC2CC2)C1 ZINC001485503942 1080266482 /nfs/dbraw/zinc/26/64/82/1080266482.db2.gz PTUCSMMRBRABCD-HNNXBMFYSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001485813368 1080484189 /nfs/dbraw/zinc/48/41/89/1080484189.db2.gz ILFMCSGGJWDRSO-MRXNPFEDSA-N 1 3 307.482 2.264 20 0 DEADHO CCN(CC[NH2+]Cc1ccc(C)cc1)C(=O)[C@H]1CCCN1C ZINC001268471498 1080561987 /nfs/dbraw/zinc/56/19/87/1080561987.db2.gz NRGPENUNOLWWAX-QGZVFWFLSA-N 1 3 303.450 2.027 20 0 DEADHO CC(C)=CC[NH2+][C@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001662425583 1080607905 /nfs/dbraw/zinc/60/79/05/1080607905.db2.gz SNQDDRIAZHGBTJ-OAHLLOKOSA-N 1 3 303.450 2.422 20 0 DEADHO CCN(CCNC/C=C\Cl)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001268491648 1080624566 /nfs/dbraw/zinc/62/45/66/1080624566.db2.gz RLCWZIPUJCLETD-IIQYJXCPSA-N 1 3 315.889 2.297 20 0 DEADHO CC[C@H](C(=O)N(CC)CC[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001268493654 1080629905 /nfs/dbraw/zinc/62/99/05/1080629905.db2.gz XZGSLMBOCWZXJP-MRXNPFEDSA-N 1 3 309.429 2.104 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]CCC(C)(C)C)C2)C1 ZINC001662686049 1080635015 /nfs/dbraw/zinc/63/50/15/1080635015.db2.gz VLISJHUMZLRLSN-HOTGVXAUSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]CCCC(C)(C)C ZINC001482143403 1080856464 /nfs/dbraw/zinc/85/64/64/1080856464.db2.gz OGANZBTVCAORLM-JKSUJKDBSA-N 1 3 311.514 2.496 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]CCCC(C)(C)C ZINC001482143398 1080856961 /nfs/dbraw/zinc/85/69/61/1080856961.db2.gz OGANZBTVCAORLM-CVEARBPZSA-N 1 3 311.514 2.496 20 0 DEADHO CC[C@H](C(=O)NC/C=C\C[NH2+][C@H](C)c1ccccc1)N(C)C ZINC001268621166 1080898735 /nfs/dbraw/zinc/89/87/35/1080898735.db2.gz ZNLIZQAAWPJRAH-WKPOEDDGSA-N 1 3 303.450 2.350 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)[C@@H]2CC[N@H+](CCCCCF)C2)C1 ZINC001665664521 1081058514 /nfs/dbraw/zinc/05/85/14/1081058514.db2.gz NSHGKLGCIBDFES-HZPDHXFCSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)[C@@H]2CC[N@@H+](CCCCCF)C2)C1 ZINC001665664521 1081058523 /nfs/dbraw/zinc/05/85/23/1081058523.db2.gz NSHGKLGCIBDFES-HZPDHXFCSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@H](C(=O)NC1(C[NH2+]C/C=C/Cl)CCCC1)N(C)C ZINC001665928906 1081098333 /nfs/dbraw/zinc/09/83/33/1081098333.db2.gz TUBQDXCQXIDWCN-UTSBKAFOSA-N 1 3 301.862 2.098 20 0 DEADHO C[C@H]([NH2+]CCCF)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001667332653 1081239090 /nfs/dbraw/zinc/23/90/90/1081239090.db2.gz OVAKHMUYJWNJQX-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H](C(=O)NC1(C[NH2+]CCF)CCCC1)N1CCCCCC1 ZINC001269578537 1081293947 /nfs/dbraw/zinc/29/39/47/1081293947.db2.gz BCLRFZSHFPLZEF-OAHLLOKOSA-N 1 3 313.461 2.239 20 0 DEADHO c1[nH]nc2c1cccc2C[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000084044768 1081455272 /nfs/dbraw/zinc/45/52/72/1081455272.db2.gz PHMHHKWAVGKUFS-CQSZACIVSA-N 1 3 314.433 2.153 20 0 DEADHO C[C@@H](C[NH2+]CCc1cccs1)N(C)C(=O)CN(C)C1CCC1 ZINC001482291726 1081535489 /nfs/dbraw/zinc/53/54/89/1081535489.db2.gz IGJXAWVKDKRNSS-AWEZNQCLSA-N 1 3 323.506 2.211 20 0 DEADHO CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1C)C1CN(CC2CCCCC2)C1 ZINC000951749791 1081579833 /nfs/dbraw/zinc/57/98/33/1081579833.db2.gz HCAKANFHUIICCP-YJBOKZPZSA-N 1 3 321.509 2.297 20 0 DEADHO CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)C1CN(CC2CCCCC2)C1 ZINC000951749791 1081579838 /nfs/dbraw/zinc/57/98/38/1081579838.db2.gz HCAKANFHUIICCP-YJBOKZPZSA-N 1 3 321.509 2.297 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCCCCF)C1 ZINC001672761497 1081624065 /nfs/dbraw/zinc/62/40/65/1081624065.db2.gz KMLAACQNGXPAST-HOTGVXAUSA-N 1 3 313.461 2.049 20 0 DEADHO CCCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H](CC)N(C)C)CC2 ZINC001270851342 1081744013 /nfs/dbraw/zinc/74/40/13/1081744013.db2.gz KZPCESBDPAXUCH-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1[NH2+]CCF ZINC001423067692 1081943777 /nfs/dbraw/zinc/94/37/77/1081943777.db2.gz QULFJTYBAGJRFP-LSDHHAIUSA-N 1 3 315.477 2.151 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)Cc2ccc(C)cc2)CC[N@@H+]1C ZINC001480865702 1081946650 /nfs/dbraw/zinc/94/66/50/1081946650.db2.gz LVOFKOCPSYYZHK-ZWKOTPCHSA-N 1 3 317.477 2.273 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)Cc2ccc(C)cc2)CC[N@H+]1C ZINC001480865702 1081946657 /nfs/dbraw/zinc/94/66/57/1081946657.db2.gz LVOFKOCPSYYZHK-ZWKOTPCHSA-N 1 3 317.477 2.273 20 0 DEADHO CC(C)(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001088121034 1082038041 /nfs/dbraw/zinc/03/80/41/1082038041.db2.gz LFNRGCLNJDIZRT-CABCVRRESA-N 1 3 318.465 2.169 20 0 DEADHO CC(C)(C)CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001088121034 1082038046 /nfs/dbraw/zinc/03/80/46/1082038046.db2.gz LFNRGCLNJDIZRT-CABCVRRESA-N 1 3 318.465 2.169 20 0 DEADHO CC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266533764 1082127625 /nfs/dbraw/zinc/12/76/25/1082127625.db2.gz QCXGBTAWCAWRKT-PMKBXARWSA-N 1 3 309.498 2.367 20 0 DEADHO CC/C=C\CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266533764 1082127629 /nfs/dbraw/zinc/12/76/29/1082127629.db2.gz QCXGBTAWCAWRKT-PMKBXARWSA-N 1 3 309.498 2.367 20 0 DEADHO CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CCCF ZINC001670582561 1082187782 /nfs/dbraw/zinc/18/77/82/1082187782.db2.gz UUHVOXHNPXZGGE-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)CCC[NH2+]C[C@@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001671345916 1082189390 /nfs/dbraw/zinc/18/93/90/1082189390.db2.gz ABFJKYPHDJHKSG-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)CCC[NH2+]C[C@@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001671345917 1082189552 /nfs/dbraw/zinc/18/95/52/1082189552.db2.gz ABFJKYPHDJHKSG-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](CC[NH2+]CC=C(Cl)Cl)NC(=O)CN1CC[C@@H](C)C1 ZINC001482870646 1082537950 /nfs/dbraw/zinc/53/79/50/1082537950.db2.gz FWSJVGSCZIJOHP-NEPJUHHUSA-N 1 3 322.280 2.132 20 0 DEADHO Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001482871639 1082538772 /nfs/dbraw/zinc/53/87/72/1082538772.db2.gz QMBFYLCFMSWNQT-SJORKVTESA-N 1 3 317.477 2.321 20 0 DEADHO CC[C@@H](C(=O)NC/C=C/C[NH2+][C@H](C)c1ccccc1)N(C)C ZINC001483062132 1082680606 /nfs/dbraw/zinc/68/06/06/1082680606.db2.gz ZNLIZQAAWPJRAH-AMMZPXFLSA-N 1 3 303.450 2.350 20 0 DEADHO CC[C@@H](C(=O)NC/C=C/C[NH2+][C@@H](C)c1ccccc1)N(C)C ZINC001483062139 1082680774 /nfs/dbraw/zinc/68/07/74/1082680774.db2.gz ZNLIZQAAWPJRAH-PRHORXKJSA-N 1 3 303.450 2.350 20 0 DEADHO O=C(CN1CCCC1)NC/C=C/C[NH2+]CC1CCCCCC1 ZINC001483093931 1082703298 /nfs/dbraw/zinc/70/32/98/1082703298.db2.gz WCQMSMMJMIAEBC-AATRIKPKSA-N 1 3 307.482 2.315 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ccccc1C1CC1)N(C)C ZINC001483140172 1082771080 /nfs/dbraw/zinc/77/10/80/1082771080.db2.gz KBKKPOULGWHIEP-RDTXWAMCSA-N 1 3 317.477 2.499 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+][C@H]1CCc2c1cccc2F ZINC001483198198 1082801814 /nfs/dbraw/zinc/80/18/14/1082801814.db2.gz YTBRMTCPZMULTQ-DYVFJYSZSA-N 1 3 321.440 2.248 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)NCc1ccccc1F ZINC001409433858 1082886994 /nfs/dbraw/zinc/88/69/94/1082886994.db2.gz XDRSLVXNEBKXKD-KBPBESRZSA-N 1 3 309.429 2.150 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H](C)NCc1ccccc1F ZINC001409433858 1082886999 /nfs/dbraw/zinc/88/69/99/1082886999.db2.gz XDRSLVXNEBKXKD-KBPBESRZSA-N 1 3 309.429 2.150 20 0 DEADHO Cc1ccc(CC[NH2+]C[C@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001483234367 1082900251 /nfs/dbraw/zinc/90/02/51/1082900251.db2.gz QJHOVTDWYLVLNQ-INIZCTEOSA-N 1 3 317.477 2.116 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C1CCC([NH2+]C/C=C/Cl)CC1 ZINC001409457442 1082901083 /nfs/dbraw/zinc/90/10/83/1082901083.db2.gz UKWLFTSKHBWSNV-BJMVGYQFSA-N 1 3 315.889 2.438 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCc1cccs1 ZINC001409478414 1082910934 /nfs/dbraw/zinc/91/09/34/1082910934.db2.gz WYOCBNYLKCZRCN-NEPJUHHUSA-N 1 3 320.462 2.048 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CC1CC2(CCC2)C1)N(C)C ZINC001409629320 1082994516 /nfs/dbraw/zinc/99/45/16/1082994516.db2.gz DYQOSWKJUJUGKU-ZBFHGGJFSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CC1CC2(CCC2)C1)N(C)C ZINC001409629320 1082994520 /nfs/dbraw/zinc/99/45/20/1082994520.db2.gz DYQOSWKJUJUGKU-ZBFHGGJFSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](C[N@H+](C)CCc1cccs1)NC(=O)CN(C)C1CCC1 ZINC001483348063 1083120334 /nfs/dbraw/zinc/12/03/34/1083120334.db2.gz RGQSIQIPLGSZEX-AWEZNQCLSA-N 1 3 323.506 2.211 20 0 DEADHO C[C@@H](C[N@@H+](C)CCc1cccs1)NC(=O)CN(C)C1CCC1 ZINC001483348063 1083120340 /nfs/dbraw/zinc/12/03/40/1083120340.db2.gz RGQSIQIPLGSZEX-AWEZNQCLSA-N 1 3 323.506 2.211 20 0 DEADHO CN(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC1)CC2)C1CC1 ZINC001107438769 1083396276 /nfs/dbraw/zinc/39/62/76/1083396276.db2.gz ILRBKWRHEGLMPQ-ZIFCJYIRSA-N 1 3 319.493 2.097 20 0 DEADHO CN(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC1)CC2)C1CC1 ZINC001107438769 1083396286 /nfs/dbraw/zinc/39/62/86/1083396286.db2.gz ILRBKWRHEGLMPQ-ZIFCJYIRSA-N 1 3 319.493 2.097 20 0 DEADHO CCC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)N(C)CC)CCC[C@@H]12 ZINC001107454662 1083407560 /nfs/dbraw/zinc/40/75/60/1083407560.db2.gz JNNMUGNYJOZPBL-CRAIPNDOSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)N(C)CC)CCC[C@@H]12 ZINC001107454662 1083407563 /nfs/dbraw/zinc/40/75/63/1083407563.db2.gz JNNMUGNYJOZPBL-CRAIPNDOSA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)CC[N@@H+]1CCC2(CN(CCc3ccc(Cl)cc3)C2)C1 ZINC001276533750 1083482769 /nfs/dbraw/zinc/48/27/69/1083482769.db2.gz HDUBVEPHSDOSIS-UHFFFAOYSA-N 1 3 321.896 2.452 20 0 DEADHO CN(C)CC[N@H+]1CCC2(CN(CCc3ccc(Cl)cc3)C2)C1 ZINC001276533750 1083482774 /nfs/dbraw/zinc/48/27/74/1083482774.db2.gz HDUBVEPHSDOSIS-UHFFFAOYSA-N 1 3 321.896 2.452 20 0 DEADHO CCCCCC[NH+]1CC([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001276387988 1083921777 /nfs/dbraw/zinc/92/17/77/1083921777.db2.gz AZQINZFSKXZBLS-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@H+](CC3CC3)CC[C@@H]21 ZINC001490984220 1083987813 /nfs/dbraw/zinc/98/78/13/1083987813.db2.gz RKGHMBPARMPGFQ-SJORKVTESA-N 1 3 307.482 2.051 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@@H+](CC3CC3)CC[C@@H]21 ZINC001490984220 1083987817 /nfs/dbraw/zinc/98/78/17/1083987817.db2.gz RKGHMBPARMPGFQ-SJORKVTESA-N 1 3 307.482 2.051 20 0 DEADHO CNC(=O)C(C)(C)[NH2+][C@@]12CC[C@@](NCc3ccc[nH]3)(C1)CCC2 ZINC001277639566 1084071218 /nfs/dbraw/zinc/07/12/18/1084071218.db2.gz RECNDZLWMIFBAC-MSOLQXFVSA-N 1 3 318.465 2.064 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CCCF)C1CC1 ZINC001277647599 1084075397 /nfs/dbraw/zinc/07/53/97/1084075397.db2.gz UAVTZZDWMKGUDN-HOTGVXAUSA-N 1 3 313.461 2.045 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])c1 ZINC001649112531 1084132697 /nfs/dbraw/zinc/13/26/97/1084132697.db2.gz DUCJRXHOJDBDCH-QZTJIDSGSA-N 1 3 309.413 2.103 20 0 DEADHO Cc1cccc(C[NH2+][C@@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001491480762 1084336741 /nfs/dbraw/zinc/33/67/41/1084336741.db2.gz NABABLAXINJNEN-HNNXBMFYSA-N 1 3 303.450 2.074 20 0 DEADHO CCOc1ccc(CN2CCC[C@H](N3CC([NH3+])C3)C2)cc1CC ZINC001236074278 1084604392 /nfs/dbraw/zinc/60/43/92/1084604392.db2.gz WMMOLUCIOQTHNV-SFHVURJKSA-N 1 3 317.477 2.255 20 0 DEADHO CCOc1ccc(C)cc1CN1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001236073086 1084605071 /nfs/dbraw/zinc/60/50/71/1084605071.db2.gz KQEMLHCXOOYTAJ-QGZVFWFLSA-N 1 3 303.450 2.001 20 0 DEADHO C[C@@H]1CNCC(F)(F)[C@H]1C[N@@H+]1CCNC[C@@H]1c1cccs1 ZINC001236112409 1084614795 /nfs/dbraw/zinc/61/47/95/1084614795.db2.gz OUAFVTZSCCQBBK-FRRDWIJNSA-N 1 3 315.433 2.185 20 0 DEADHO C[C@@H]1CNCC(F)(F)[C@H]1C[N@H+]1CCNC[C@@H]1c1cccs1 ZINC001236112409 1084614799 /nfs/dbraw/zinc/61/47/99/1084614799.db2.gz OUAFVTZSCCQBBK-FRRDWIJNSA-N 1 3 315.433 2.185 20 0 DEADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CCCC1CCCC1 ZINC001485927874 1084990283 /nfs/dbraw/zinc/99/02/83/1084990283.db2.gz SFUXKUSPBRIMBV-CQSZACIVSA-N 1 3 306.454 2.359 20 0 DEADHO C[C@@H]1[C@@H]([NH2+]CCC2CC2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001486090050 1085053499 /nfs/dbraw/zinc/05/34/99/1085053499.db2.gz YKSMJRRMCIYCJI-ZBFHGGJFSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H]1[C@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CN1CCCC1 ZINC001486096690 1085057242 /nfs/dbraw/zinc/05/72/42/1085057242.db2.gz PCYCJEQHJRHVHG-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC000960152138 1085129641 /nfs/dbraw/zinc/12/96/41/1085129641.db2.gz VSKIODVTTGPGGV-KRWDZBQOSA-N 1 3 316.449 2.423 20 0 DEADHO CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2ccccc2C)C1)N(C)C ZINC001486480939 1085362667 /nfs/dbraw/zinc/36/26/67/1085362667.db2.gz SVKRUJNIUFBXOU-DAWZGUTISA-N 1 3 317.477 2.414 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2C[N@H+](C)CC2CCCC2)C1 ZINC000960864581 1085487756 /nfs/dbraw/zinc/48/77/56/1085487756.db2.gz OLCFVRLVTHEKEL-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2C[N@@H+](C)CC2CCCC2)C1 ZINC000960864581 1085487763 /nfs/dbraw/zinc/48/77/63/1085487763.db2.gz OLCFVRLVTHEKEL-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]C(C)C)C2 ZINC000965933176 1085700580 /nfs/dbraw/zinc/70/05/80/1085700580.db2.gz QZHVRPJTXYGXNS-HVEGKCCWSA-N 1 3 307.482 2.286 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000961414425 1085723888 /nfs/dbraw/zinc/72/38/88/1085723888.db2.gz IWFDEYNOFJLIJS-MRXNPFEDSA-N 1 3 318.465 2.313 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000961414425 1085723898 /nfs/dbraw/zinc/72/38/98/1085723898.db2.gz IWFDEYNOFJLIJS-MRXNPFEDSA-N 1 3 318.465 2.313 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCC[C@@H]2CNCCF)C1 ZINC001272985333 1085787981 /nfs/dbraw/zinc/78/79/81/1085787981.db2.gz PATRUUGHZFHOAN-HZPDHXFCSA-N 1 3 313.461 2.049 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCCC[C@@H]2CNCCF)C1 ZINC001272985333 1085787989 /nfs/dbraw/zinc/78/79/89/1085787989.db2.gz PATRUUGHZFHOAN-HZPDHXFCSA-N 1 3 313.461 2.049 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CC2CC2)C1 ZINC000962385796 1086095287 /nfs/dbraw/zinc/09/52/87/1086095287.db2.gz TZKCNDNMYBZJQQ-OFLPRAFFSA-N 1 3 307.482 2.144 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963366107 1086428309 /nfs/dbraw/zinc/42/83/09/1086428309.db2.gz JHIDKNXOFWSWSS-HOCLYGCPSA-N 1 3 304.438 2.065 20 0 DEADHO CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963366107 1086428311 /nfs/dbraw/zinc/42/83/11/1086428311.db2.gz JHIDKNXOFWSWSS-HOCLYGCPSA-N 1 3 304.438 2.065 20 0 DEADHO CC(C)CN1C[C@]2(CC1=O)CCCCN2C[C@@H]1CCC[N@H+](C)C1 ZINC001273143486 1086677952 /nfs/dbraw/zinc/67/79/52/1086677952.db2.gz HTLOJQVOFJOSIH-IEBWSBKVSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)CN1C[C@]2(CC1=O)CCCCN2C[C@@H]1CCC[N@@H+](C)C1 ZINC001273143486 1086677955 /nfs/dbraw/zinc/67/79/55/1086677955.db2.gz HTLOJQVOFJOSIH-IEBWSBKVSA-N 1 3 321.509 2.441 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001168763934 1087577354 /nfs/dbraw/zinc/57/73/54/1087577354.db2.gz VFPKYJULOCHDIJ-QGZVFWFLSA-N 1 3 321.440 2.251 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1cc(C)sc1C ZINC001168764299 1087692434 /nfs/dbraw/zinc/69/24/34/1087692434.db2.gz XUXISZKLKMMUNP-UHFFFAOYSA-N 1 3 311.495 2.303 20 0 DEADHO CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001080441756 1088945950 /nfs/dbraw/zinc/94/59/50/1088945950.db2.gz XZGLAJMGULFKSZ-CPUCHLNUSA-N 1 3 313.461 2.045 20 0 DEADHO CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001080441756 1088945958 /nfs/dbraw/zinc/94/59/58/1088945958.db2.gz XZGLAJMGULFKSZ-CPUCHLNUSA-N 1 3 313.461 2.045 20 0 DEADHO CC[NH2+]C[C@@H]1c2ccccc2CCN1C(=O)CN1CCC[C@@H]1C ZINC000958803141 1089193532 /nfs/dbraw/zinc/19/35/32/1089193532.db2.gz NGCLHSOXSOVRCT-MAUKXSAKSA-N 1 3 315.461 2.206 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC001412919763 1089664766 /nfs/dbraw/zinc/66/47/66/1089664766.db2.gz WVBZBMIJFVVQQR-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC001412919763 1089664775 /nfs/dbraw/zinc/66/47/75/1089664775.db2.gz WVBZBMIJFVVQQR-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2)C1)N(C)C ZINC001082575057 1090010330 /nfs/dbraw/zinc/01/03/30/1090010330.db2.gz IVKIHZVQYYFADN-NXHRZFHOSA-N 1 3 317.477 2.209 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001082589037 1090012518 /nfs/dbraw/zinc/01/25/18/1090012518.db2.gz DZBUUYIKWAQZGV-FVQBIDKESA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001084545647 1090324154 /nfs/dbraw/zinc/32/41/54/1090324154.db2.gz SGRZBIONOBVWKX-KURKYZTESA-N 1 3 319.493 2.050 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001084545647 1090324161 /nfs/dbraw/zinc/32/41/61/1090324161.db2.gz SGRZBIONOBVWKX-KURKYZTESA-N 1 3 319.493 2.050 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCN2CCCC(C)(C)C2)C1 ZINC001412075521 1091132667 /nfs/dbraw/zinc/13/26/67/1091132667.db2.gz LEXRCASFCFYTGV-INIZCTEOSA-N 1 3 309.498 2.347 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)NCCN2CCCC(C)(C)C2)C1 ZINC001412075521 1091132671 /nfs/dbraw/zinc/13/26/71/1091132671.db2.gz LEXRCASFCFYTGV-INIZCTEOSA-N 1 3 309.498 2.347 20 0 DEADHO CN1CC[C@]2(CCC[N@H+](Cc3cc4cnccc4[nH]3)CC2)C1=O ZINC001274267269 1091159247 /nfs/dbraw/zinc/15/92/47/1091159247.db2.gz COHFVNQHIXTORV-SFHVURJKSA-N 1 3 312.417 2.397 20 0 DEADHO CN1CC[C@]2(CCC[N@@H+](Cc3cc4cnccc4[nH]3)CC2)C1=O ZINC001274267269 1091159255 /nfs/dbraw/zinc/15/92/55/1091159255.db2.gz COHFVNQHIXTORV-SFHVURJKSA-N 1 3 312.417 2.397 20 0 DEADHO O=C(CN1CCCC1)NC/C=C/C[NH2+]C/C=C/c1ccccc1 ZINC001274578672 1091307377 /nfs/dbraw/zinc/30/73/77/1091307377.db2.gz LXQHHAIZUONPFG-OCJIRGAFSA-N 1 3 313.445 2.058 20 0 DEADHO C[C@H](CNC/C=C/Cl)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001274863484 1091452201 /nfs/dbraw/zinc/45/22/01/1091452201.db2.gz AXASDJHDWUMXKM-DNGMOHDESA-N 1 3 315.889 2.345 20 0 DEADHO c1n[nH]cc1CN1CCC2(C1)CC[NH+](C[C@H]1CCC=CO1)CC2 ZINC001274892579 1091466311 /nfs/dbraw/zinc/46/63/11/1091466311.db2.gz CUAIXIRJPOVMDI-QGZVFWFLSA-N 1 3 316.449 2.390 20 0 DEADHO CCCCC[NH+]1CCC2(CCCN(CC(=O)N(C)C)C2)CC1 ZINC001275121527 1091570428 /nfs/dbraw/zinc/57/04/28/1091570428.db2.gz YUZKEWSGPVWYLH-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CN(C)C(=O)CN1CCCC2(CC[NH+](CC3CCC3)CC2)C1 ZINC001275180818 1091602064 /nfs/dbraw/zinc/60/20/64/1091602064.db2.gz LMWCAZLAQBYZEH-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO C[C@H](CC[NH+](C)C)C(=O)N(CCN(C)C)Cc1cccs1 ZINC001412635800 1091617592 /nfs/dbraw/zinc/61/75/92/1091617592.db2.gz CNFNZMQFQOTAKW-CQSZACIVSA-N 1 3 311.495 2.226 20 0 DEADHO C[NH+](C)CCN1CC2(C1)CCCN(Cc1ccccc1F)C2 ZINC001275247266 1091635656 /nfs/dbraw/zinc/63/56/56/1091635656.db2.gz KYPMSTUKHITBOK-UHFFFAOYSA-N 1 3 305.441 2.285 20 0 DEADHO Cc1ccncc1CN1CCC2(CC[N@@H+](CCN(C)C)C2)CC1 ZINC001276197838 1091679673 /nfs/dbraw/zinc/67/96/73/1091679673.db2.gz QWIRKNPHDXRFAW-UHFFFAOYSA-N 1 3 316.493 2.240 20 0 DEADHO Cc1ccncc1CN1CCC2(CC[N@H+](CCN(C)C)C2)CC1 ZINC001276197838 1091679679 /nfs/dbraw/zinc/67/96/79/1091679679.db2.gz QWIRKNPHDXRFAW-UHFFFAOYSA-N 1 3 316.493 2.240 20 0 DEADHO COC(C[N@H+](C)C[C@H]1CCCN(Cc2ccccc2)C1)OC ZINC000719961815 1091692725 /nfs/dbraw/zinc/69/27/25/1091692725.db2.gz JVGQATWYSDPOHW-QGZVFWFLSA-N 1 3 306.450 2.449 20 0 DEADHO COC(C[N@@H+](C)C[C@H]1CCCN(Cc2ccccc2)C1)OC ZINC000719961815 1091692728 /nfs/dbraw/zinc/69/27/28/1091692728.db2.gz JVGQATWYSDPOHW-QGZVFWFLSA-N 1 3 306.450 2.449 20 0 DEADHO Cn1nccc1C[NH2+][C@@]12CC[C@@](NCc3ccc[nH]3)(C1)CCC2 ZINC001276281616 1091763745 /nfs/dbraw/zinc/76/37/45/1091763745.db2.gz MJUPMNUAWKYOCX-MSOLQXFVSA-N 1 3 313.449 2.473 20 0 DEADHO CCC(CC)CN1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000948854235 1091966918 /nfs/dbraw/zinc/96/69/18/1091966918.db2.gz KPUPDMLFEKDLRC-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CCC(CC)CN1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000948854235 1091966925 /nfs/dbraw/zinc/96/69/25/1091966925.db2.gz KPUPDMLFEKDLRC-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)CN(CCN(C)C)C(=O)C1CC[NH+](CC(C)C)CC1 ZINC001411781195 1092102104 /nfs/dbraw/zinc/10/21/04/1092102104.db2.gz UJKFLZLJQDVQLA-UHFFFAOYSA-N 1 3 311.514 2.401 20 0 DEADHO CCCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cc1nc[nH]c1C ZINC001275819131 1092175828 /nfs/dbraw/zinc/17/58/28/1092175828.db2.gz ZXSDPCRXBOINAU-CABCVRRESA-N 1 3 306.454 2.325 20 0 DEADHO c1c[nH]c(CN2CC[C@H]3C[N@@H+](Cc4ccnnc4)C[C@H]3CC2)c1 ZINC001275882327 1092269237 /nfs/dbraw/zinc/26/92/37/1092269237.db2.gz NELFZJDMFKJYPV-CALCHBBNSA-N 1 3 311.433 2.149 20 0 DEADHO c1c[nH]c(CN2CC[C@H]3C[N@H+](Cc4ccnnc4)C[C@H]3CC2)c1 ZINC001275882327 1092269248 /nfs/dbraw/zinc/26/92/48/1092269248.db2.gz NELFZJDMFKJYPV-CALCHBBNSA-N 1 3 311.433 2.149 20 0 DEADHO C[C@@H]([NH2+]CCCN(C)C(=O)[C@H]1CCCN1C)c1cccc(F)c1 ZINC001275914699 1092300192 /nfs/dbraw/zinc/30/01/92/1092300192.db2.gz AOQGHSJTZDDWCA-RHSMWYFYSA-N 1 3 321.440 2.419 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCC2)C1)N(C)C ZINC001488916682 1092815815 /nfs/dbraw/zinc/81/58/15/1092815815.db2.gz BCOQMSZEPJTQSQ-BBWFWOEESA-N 1 3 309.498 2.247 20 0 DEADHO CC[C@@H](F)CN(C)CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001490256556 1093265386 /nfs/dbraw/zinc/26/53/86/1093265386.db2.gz PCOROUKBGNFYOZ-JKSUJKDBSA-N 1 3 315.477 2.437 20 0 DEADHO CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001490552727 1093415038 /nfs/dbraw/zinc/41/50/38/1093415038.db2.gz DQFBSEFFIZZJDS-OGZRUICASA-N 1 3 307.482 2.408 20 0 DEADHO CC/C=C\CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001490552727 1093415044 /nfs/dbraw/zinc/41/50/44/1093415044.db2.gz DQFBSEFFIZZJDS-OGZRUICASA-N 1 3 307.482 2.408 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(C)[C@H]2CCCN(C)C2)C1 ZINC001351951132 1151636961 /nfs/dbraw/zinc/63/69/61/1151636961.db2.gz VRQCEQQKDRSYNG-BBWFWOEESA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N(C)[C@H]2CCCN(C)C2)C1 ZINC001351951132 1151636965 /nfs/dbraw/zinc/63/69/65/1151636965.db2.gz VRQCEQQKDRSYNG-BBWFWOEESA-N 1 3 324.513 2.090 20 0 DEADHO c1c[nH]c(CN2CC[C@H]3C[N@H+](C[C@@H]4CCOC4)C[C@H]3CC2)c1 ZINC001275172902 1138234574 /nfs/dbraw/zinc/23/45/74/1138234574.db2.gz YDLYSCHMNDSGDX-YESZJQIVSA-N 1 3 303.450 2.195 20 0 DEADHO c1c[nH]c(CN2CC[C@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@H]3CC2)c1 ZINC001275172902 1138234577 /nfs/dbraw/zinc/23/45/77/1138234577.db2.gz YDLYSCHMNDSGDX-YESZJQIVSA-N 1 3 303.450 2.195 20 0 DEADHO Nc1cc(CN(Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)ccn1 ZINC001236672816 1138393150 /nfs/dbraw/zinc/39/31/50/1138393150.db2.gz VQVKQQJDMHEJPF-JCNLHEQBSA-N 1 3 311.433 2.331 20 0 DEADHO Cc1cc(F)cc(C)c1CN1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001237327023 1138584421 /nfs/dbraw/zinc/58/44/21/1138584421.db2.gz XLSKORQQVBPLEH-UHFFFAOYSA-N 1 3 321.440 2.038 20 0 DEADHO CCOC(=O)[C@H]1CN(Cc2cccc(F)c2C)CCC12C[NH2+]C2 ZINC001237431426 1138621189 /nfs/dbraw/zinc/62/11/89/1138621189.db2.gz SFMMELXMEDCQNK-OAHLLOKOSA-N 1 3 320.408 2.109 20 0 DEADHO CCOC(=O)[C@@H]1CN(Cc2ccc(F)cc2C)CCC12C[NH2+]C2 ZINC001237431009 1138622414 /nfs/dbraw/zinc/62/24/14/1138622414.db2.gz PCMBPNPGKMUTDA-INIZCTEOSA-N 1 3 320.408 2.109 20 0 DEADHO O=C(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)Nc1ccccc1Cl ZINC001239218335 1138991829 /nfs/dbraw/zinc/99/18/29/1138991829.db2.gz YWEFWAIVVRPQCS-LBPRGKRZSA-N 1 3 322.840 2.336 20 0 DEADHO NCCC[NH2+]CCCNC(=O)Nc1ccccc1C(F)(F)F ZINC001239253112 1139005224 /nfs/dbraw/zinc/00/52/24/1139005224.db2.gz ODUHXRHDQFIXGO-UHFFFAOYSA-N 1 3 318.343 2.155 20 0 DEADHO CC(C)(C)c1ccccc1NC(=O)NCCC[NH2+]CCCN ZINC001239252526 1139005392 /nfs/dbraw/zinc/00/53/92/1139005392.db2.gz FVXVCHGLDZXRFR-UHFFFAOYSA-N 1 3 306.454 2.434 20 0 DEADHO CN1CC=C(c2cccc(NC(=O)NC3CC[NH2+]CC3)c2)CC1 ZINC001241330737 1139790043 /nfs/dbraw/zinc/79/00/43/1139790043.db2.gz XYVAFQVERWUNOC-UHFFFAOYSA-N 1 3 314.433 2.279 20 0 DEADHO c1cnn(-c2ccc(-c3cc(N4CC[NH2+]CC4)ccn3)cc2)c1 ZINC001241392640 1139802852 /nfs/dbraw/zinc/80/28/52/1139802852.db2.gz XKMSEHQZVSJFML-UHFFFAOYSA-N 1 3 305.385 2.344 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001491682843 1140248705 /nfs/dbraw/zinc/24/87/05/1140248705.db2.gz PCBHDJPYYISSDH-CQSZACIVSA-N 1 3 309.429 2.091 20 0 DEADHO CCCC[C@H](CC)COC[C@H](O)CNC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001245987081 1140842326 /nfs/dbraw/zinc/84/23/26/1140842326.db2.gz BDWLEMJRXOVJOX-WNRNVDISSA-N 1 3 314.514 2.416 20 0 DEADHO CCCC[C@@H](CC)COCCC[NH2+]C[C@@]1(O)CCCNC1 ZINC001245991954 1140843331 /nfs/dbraw/zinc/84/33/31/1140843331.db2.gz WVQMHNRGSLJMOG-IAGOWNOFSA-N 1 3 300.487 2.314 20 0 DEADHO C[C@H]1CC[C@H](N[C@H]2CCC(=O)N(Cc3ccccc3)CC2)C[NH2+]1 ZINC001246084592 1140858444 /nfs/dbraw/zinc/85/84/44/1140858444.db2.gz KUKWAGHDIPSUAA-SZMVWBNQSA-N 1 3 315.461 2.298 20 0 DEADHO F[C@@H]1CNCC[C@H]1N[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001246085854 1140858984 /nfs/dbraw/zinc/85/89/84/1140858984.db2.gz JMWXWKAAMUAEPZ-KZNAEPCWSA-N 1 3 305.441 2.331 20 0 DEADHO F[C@@H]1CNCC[C@H]1N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246085854 1140858987 /nfs/dbraw/zinc/85/89/87/1140858987.db2.gz JMWXWKAAMUAEPZ-KZNAEPCWSA-N 1 3 305.441 2.331 20 0 DEADHO O=C(c1ccccc1)N1CCC[C@H](N[C@H]2CCCC[NH2+]C2)CC1 ZINC001246089324 1140859852 /nfs/dbraw/zinc/85/98/52/1140859852.db2.gz COFPMWZLLGZHAK-ROUUACIJSA-N 1 3 315.461 2.413 20 0 DEADHO C[C@@H]1C[NH2+]C[C@@H](CN[C@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001246096232 1140860988 /nfs/dbraw/zinc/86/09/88/1140860988.db2.gz DOGJYQUJNNWWNS-SZMVWBNQSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@@H]1CN[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001246106765 1140861268 /nfs/dbraw/zinc/86/12/68/1140861268.db2.gz FPNWIFVHPBYUBL-JQHSSLGASA-N 1 3 315.461 2.269 20 0 DEADHO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)C(=O)C2)NC1 ZINC001246108792 1140862155 /nfs/dbraw/zinc/86/21/55/1140862155.db2.gz WOSZYPOBVDPRKR-BPQIPLTHSA-N 1 3 315.461 2.155 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001320605712 1140885114 /nfs/dbraw/zinc/88/51/14/1140885114.db2.gz DKZLSCLQMUPAHW-WMLDXEAASA-N 1 3 323.456 2.459 20 0 DEADHO Fc1ccc(CN2CCC(N[C@@H]3CCC[NH2+]C3)CC2)c(F)c1 ZINC001246352256 1140886816 /nfs/dbraw/zinc/88/68/16/1140886816.db2.gz BKPOACCLXPZGGG-MRXNPFEDSA-N 1 3 309.404 2.271 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)C3CCCCC3)CC2)CCN1 ZINC001246352470 1140887105 /nfs/dbraw/zinc/88/71/05/1140887105.db2.gz RSNOWPOKOCPPBR-RHSMWYFYSA-N 1 3 307.482 2.288 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3cccc(F)c3)CC2)CCN1 ZINC001246354632 1140887419 /nfs/dbraw/zinc/88/74/19/1140887419.db2.gz XLVYUBGAVXHCAW-GUYCJALGSA-N 1 3 319.424 2.160 20 0 DEADHO Fc1cccc(CN2CCC(N[C@@H]3CCC[NH2+]C3)CC2)c1F ZINC001246354928 1140887669 /nfs/dbraw/zinc/88/76/69/1140887669.db2.gz IZJBIPXDHWNXQX-OAHLLOKOSA-N 1 3 309.404 2.271 20 0 DEADHO O=C(c1cccc(F)c1)N1CCC(C[NH2+]C2CCNCC2)CC1 ZINC001246361946 1140888088 /nfs/dbraw/zinc/88/80/88/1140888088.db2.gz PNXOCVOILAQGEC-UHFFFAOYSA-N 1 3 319.424 2.020 20 0 DEADHO CCN(CC[NH2+]CC1CCCCCC1)C(=O)[C@@H]1CCCN1C ZINC001320694108 1140895508 /nfs/dbraw/zinc/89/55/08/1140895508.db2.gz BGUXFHHFSMEMSY-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CCN(CC[NH2+]Cc1ccc(C)cc1C)C(=O)[C@H]1CCCN1C ZINC001320694437 1140895676 /nfs/dbraw/zinc/89/56/76/1140895676.db2.gz LVSZYAPSBQDTEE-GOSISDBHSA-N 1 3 317.477 2.336 20 0 DEADHO CCC[C@H](CCc1ccccc1)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246416793 1140896019 /nfs/dbraw/zinc/89/60/19/1140896019.db2.gz LWKPUHQBDSOBRU-SJORKVTESA-N 1 3 305.466 2.360 20 0 DEADHO Cc1cccnc1C1(CN[C@H]2CC[NH2+][C@@H](C)C2)CCOCC1 ZINC001246436983 1140898940 /nfs/dbraw/zinc/89/89/40/1140898940.db2.gz CEVHXADFIQJTBX-HOTGVXAUSA-N 1 3 303.450 2.168 20 0 DEADHO Cc1cccnc1C1(C[NH2+][C@H]2CCN[C@@H](C)C2)CCOCC1 ZINC001246436983 1140898941 /nfs/dbraw/zinc/89/89/41/1140898941.db2.gz CEVHXADFIQJTBX-HOTGVXAUSA-N 1 3 303.450 2.168 20 0 DEADHO Cc1cccc(C2(CN[C@H]3CC[NH2+][C@H](C)C3)CCOCC2)n1 ZINC001246441028 1140899727 /nfs/dbraw/zinc/89/97/27/1140899727.db2.gz XTDAXCQHUMSRCQ-CVEARBPZSA-N 1 3 303.450 2.168 20 0 DEADHO Cc1cccc(C2(C[NH2+][C@H]3CCN[C@H](C)C3)CCOCC2)n1 ZINC001246441028 1140899728 /nfs/dbraw/zinc/89/97/28/1140899728.db2.gz XTDAXCQHUMSRCQ-CVEARBPZSA-N 1 3 303.450 2.168 20 0 DEADHO COc1cc2c(cc1OC)C[C@H]([NH2+][C@@H]1CCN[C@@H](C)C1)CC2 ZINC001246465384 1140912092 /nfs/dbraw/zinc/91/20/92/1140912092.db2.gz XVKRRFWKLCQTSJ-APHBMKBZSA-N 1 3 304.434 2.291 20 0 DEADHO CCN(CC)C(=O)c1ccc(CC[NH2+]C2CCNCC2)cc1 ZINC001246483708 1140919732 /nfs/dbraw/zinc/91/97/32/1140919732.db2.gz NVGZCNCMWMTTSQ-UHFFFAOYSA-N 1 3 303.450 2.053 20 0 DEADHO CCN(CC)C(=O)c1ccc(CCNC2CC[NH2+]CC2)cc1 ZINC001246483708 1140919739 /nfs/dbraw/zinc/91/97/39/1140919739.db2.gz NVGZCNCMWMTTSQ-UHFFFAOYSA-N 1 3 303.450 2.053 20 0 DEADHO N[C@H]1CC[N@@H+](C2CCN(CCc3ccccc3)CC2)CC[C@@H]1F ZINC001246589511 1140994574 /nfs/dbraw/zinc/99/45/74/1140994574.db2.gz SJELBTOLVMTKOL-OALUTQOASA-N 1 3 319.468 2.455 20 0 DEADHO N[C@H]1CC[N@H+](C2CCN(CCc3ccccc3)CC2)CC[C@@H]1F ZINC001246589511 1140994587 /nfs/dbraw/zinc/99/45/87/1140994587.db2.gz SJELBTOLVMTKOL-OALUTQOASA-N 1 3 319.468 2.455 20 0 DEADHO CCOC(=O)c1ccc(C[C@@H](C)[N@@H+]2CC[C@H]3CNCC[C@H]32)cc1 ZINC001246626384 1141011285 /nfs/dbraw/zinc/01/12/85/1141011285.db2.gz SYBOBNKDAAWOEU-FHLIZLRMSA-N 1 3 316.445 2.478 20 0 DEADHO CCOC(=O)c1ccc(C[C@@H](C)[N@H+]2CC[C@H]3CNCC[C@H]32)cc1 ZINC001246626384 1141011293 /nfs/dbraw/zinc/01/12/93/1141011293.db2.gz SYBOBNKDAAWOEU-FHLIZLRMSA-N 1 3 316.445 2.478 20 0 DEADHO CCOC(=O)c1ccc(C[C@@H](C)N2CC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001246626384 1141011301 /nfs/dbraw/zinc/01/13/01/1141011301.db2.gz SYBOBNKDAAWOEU-FHLIZLRMSA-N 1 3 316.445 2.478 20 0 DEADHO C[NH2+]CC[C@H](C)N1CC[C@]2(CC(=O)N(c3cccc(C)c3)C2)C1 ZINC001246743744 1141048462 /nfs/dbraw/zinc/04/84/62/1141048462.db2.gz HWOVGRPUIXDMEW-LPHOPBHVSA-N 1 3 315.461 2.422 20 0 DEADHO Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2C[C@H]3CC[C@@]3(N)C2)CCN1 ZINC001246855266 1141089988 /nfs/dbraw/zinc/08/99/88/1141089988.db2.gz UEPXMJSDKDIKIT-LFVTVUPYSA-N 1 3 303.425 2.350 20 0 DEADHO Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2C[C@H]3CC[C@@]3(N)C2)CCN1 ZINC001246855266 1141089996 /nfs/dbraw/zinc/08/99/96/1141089996.db2.gz UEPXMJSDKDIKIT-LFVTVUPYSA-N 1 3 303.425 2.350 20 0 DEADHO NC(=S)C1CC[NH+]([C@@H]2CCN[C@@H](Cc3ccccc3)C2)CC1 ZINC001246900720 1141112190 /nfs/dbraw/zinc/11/21/90/1141112190.db2.gz WXQSNMTXYVXWQZ-DLBZAZTESA-N 1 3 317.502 2.348 20 0 DEADHO NC(=S)C1CCN([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC1 ZINC001246900720 1141112227 /nfs/dbraw/zinc/11/22/27/1141112227.db2.gz WXQSNMTXYVXWQZ-DLBZAZTESA-N 1 3 317.502 2.348 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CCC1CC1 ZINC001322368502 1141542740 /nfs/dbraw/zinc/54/27/40/1141542740.db2.gz BVDQJFSRHRNOKH-HOTGVXAUSA-N 1 3 318.465 2.325 20 0 DEADHO Cc1c(F)ccc(-c2noc([C@@H]3CNCC34C[NH2+]C4)n2)c1Cl ZINC001247829372 1141542767 /nfs/dbraw/zinc/54/27/67/1141542767.db2.gz HVWLPTMSTBPBMO-JTQLQIEISA-N 1 3 322.771 2.114 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001322844978 1141739984 /nfs/dbraw/zinc/73/99/84/1141739984.db2.gz VGGRKBHOFRVZHV-AWEZNQCLSA-N 1 3 319.440 2.200 20 0 DEADHO CC/C=C/CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001278608060 1142338499 /nfs/dbraw/zinc/33/84/99/1142338499.db2.gz IYSUZASVUBEKPD-FZZYSBJUSA-N 1 3 318.465 2.491 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@H](O)COc1ccc(F)cc1)C2 ZINC001251945885 1142557905 /nfs/dbraw/zinc/55/79/05/1142557905.db2.gz CVLATVFEABOSHE-NXOAAHMSSA-N 1 3 322.424 2.170 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@H](O)COc1ccc(F)cc1)C2 ZINC001251945885 1142557916 /nfs/dbraw/zinc/55/79/16/1142557916.db2.gz CVLATVFEABOSHE-NXOAAHMSSA-N 1 3 322.424 2.170 20 0 DEADHO C[C@H](O)C[NH+]1CCC2(CC(N(C)Cc3ccncc3)C2)CC1 ZINC001251960517 1142565001 /nfs/dbraw/zinc/56/50/01/1142565001.db2.gz OLCKMOAKSUEMET-HNNXBMFYSA-N 1 3 303.450 2.139 20 0 DEADHO CCCC[C@H](O)C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001252117015 1142646817 /nfs/dbraw/zinc/64/68/17/1142646817.db2.gz BENFBYJVXKIVJC-SFHVURJKSA-N 1 3 305.466 2.434 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)CC1(C)C ZINC001278684447 1142823443 /nfs/dbraw/zinc/82/34/43/1142823443.db2.gz DALCSKCDECJAGX-HZPDHXFCSA-N 1 3 309.498 2.365 20 0 DEADHO CC(C)O[C@H]1CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252931234 1142831640 /nfs/dbraw/zinc/83/16/40/1142831640.db2.gz IHIPWCXHKYVOAJ-RBUKOAKNSA-N 1 3 318.461 2.123 20 0 DEADHO CC(C)O[C@H]1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252931234 1142831642 /nfs/dbraw/zinc/83/16/42/1142831642.db2.gz IHIPWCXHKYVOAJ-RBUKOAKNSA-N 1 3 318.461 2.123 20 0 DEADHO CC[NH+](CC)C[C@@H](O)CNCCc1c[nH]c2cc(F)ccc12 ZINC001253206950 1142854241 /nfs/dbraw/zinc/85/42/41/1142854241.db2.gz UVCHRSCPRJDVEE-HNNXBMFYSA-N 1 3 307.413 2.142 20 0 DEADHO CC[NH+](CC)C[C@@H](O)CN[C@H]1CCc2ccc(Cl)cc2C1 ZINC001253209987 1142854412 /nfs/dbraw/zinc/85/44/12/1142854412.db2.gz KHTJHTRQMNOLNM-IRXDYDNUSA-N 1 3 310.869 2.490 20 0 DEADHO CCN(CC)C[C@@H](O)C[NH2+][C@H]1CSc2ccc(OC)cc2C1 ZINC001253216024 1142855650 /nfs/dbraw/zinc/85/56/50/1142855650.db2.gz FXBGAVUHDMIESX-CABCVRRESA-N 1 3 324.490 2.004 20 0 DEADHO CC[N@@H+]1CC[C@@H](CNCCC(=O)Nc2ccc(N(C)C)cc2)C1 ZINC001338449441 1142856878 /nfs/dbraw/zinc/85/68/78/1142856878.db2.gz KPCGEQFLMSAAEB-HNNXBMFYSA-N 1 3 318.465 2.013 20 0 DEADHO CC[N@H+]1CC[C@@H](CNCCC(=O)Nc2ccc(N(C)C)cc2)C1 ZINC001338449441 1142856880 /nfs/dbraw/zinc/85/68/80/1142856880.db2.gz KPCGEQFLMSAAEB-HNNXBMFYSA-N 1 3 318.465 2.013 20 0 DEADHO CCN1CC[C@@H](C[NH2+]CCC(=O)Nc2ccc(N(C)C)cc2)C1 ZINC001338449441 1142856881 /nfs/dbraw/zinc/85/68/81/1142856881.db2.gz KPCGEQFLMSAAEB-HNNXBMFYSA-N 1 3 318.465 2.013 20 0 DEADHO C[N@@H+]1CCCC[C@@H](CNCCC(=O)Nc2cccc(F)c2)C1 ZINC001338520357 1142861346 /nfs/dbraw/zinc/86/13/46/1142861346.db2.gz PICBOHVFYYGEPD-AWEZNQCLSA-N 1 3 307.413 2.476 20 0 DEADHO C[N@H+]1CCCC[C@@H](CNCCC(=O)Nc2cccc(F)c2)C1 ZINC001338520357 1142861347 /nfs/dbraw/zinc/86/13/47/1142861347.db2.gz PICBOHVFYYGEPD-AWEZNQCLSA-N 1 3 307.413 2.476 20 0 DEADHO CN1CCCC[C@@H](C[NH2+]CCC(=O)Nc2cccc(F)c2)C1 ZINC001338520357 1142861349 /nfs/dbraw/zinc/86/13/49/1142861349.db2.gz PICBOHVFYYGEPD-AWEZNQCLSA-N 1 3 307.413 2.476 20 0 DEADHO CC(C)(C)[C@H](O)C[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001253747029 1142905396 /nfs/dbraw/zinc/90/53/96/1142905396.db2.gz HFWUFGDWSXXHNB-QGZVFWFLSA-N 1 3 305.466 2.290 20 0 DEADHO OC1(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CCN(Cc2ccccc2)CC1 ZINC001254036719 1143029953 /nfs/dbraw/zinc/02/99/53/1143029953.db2.gz KCYBKVLMFHQRHZ-OKZBNKHCSA-N 1 3 318.436 2.446 20 0 DEADHO OC1(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CCN(Cc2ccccc2)CC1 ZINC001254036719 1143029960 /nfs/dbraw/zinc/02/99/60/1143029960.db2.gz KCYBKVLMFHQRHZ-OKZBNKHCSA-N 1 3 318.436 2.446 20 0 DEADHO NCCC[NH2+]CCCCn1cc(C2(c3ccccc3)CC2)nn1 ZINC001254163242 1143050543 /nfs/dbraw/zinc/05/05/43/1143050543.db2.gz OUNJGWQQHNUERG-UHFFFAOYSA-N 1 3 313.449 2.077 20 0 DEADHO CN1CCC[C@H]([NH2+]Cc2ccccc2N2CCOCC2)CC1 ZINC001254501523 1143144840 /nfs/dbraw/zinc/14/48/40/1143144840.db2.gz UTFKIMGFWICRRW-KRWDZBQOSA-N 1 3 303.450 2.097 20 0 DEADHO COC(=O)N1CCC2(CC1)CC[NH+]([C@H]1CCCN(C)CC1)CC2 ZINC001254515646 1143176363 /nfs/dbraw/zinc/17/63/63/1143176363.db2.gz AFHOYYMGAUJZQU-INIZCTEOSA-N 1 3 323.481 2.415 20 0 DEADHO CC(C)N(C)Cc1nn([C@H]2CCC[N@H+](C)CC2)c2c1CCNC2 ZINC001254519204 1143180580 /nfs/dbraw/zinc/18/05/80/1143180580.db2.gz QPIGPQCSHYSORV-HNNXBMFYSA-N 1 3 319.497 2.026 20 0 DEADHO CC(C)N(C)Cc1nn([C@H]2CCC[N@@H+](C)CC2)c2c1CCNC2 ZINC001254519204 1143180585 /nfs/dbraw/zinc/18/05/85/1143180585.db2.gz QPIGPQCSHYSORV-HNNXBMFYSA-N 1 3 319.497 2.026 20 0 DEADHO CC(C)N1CCOC[C@]2(CCC[N@@H+]([C@H]3CCCN(C)CC3)C2)C1 ZINC001254519699 1143185769 /nfs/dbraw/zinc/18/57/69/1143185769.db2.gz JYPPUQPXCIBISM-RBUKOAKNSA-N 1 3 323.525 2.294 20 0 DEADHO CC(C)N1CCOC[C@]2(CCC[N@H+]([C@H]3CCCN(C)CC3)C2)C1 ZINC001254519699 1143185789 /nfs/dbraw/zinc/18/57/89/1143185789.db2.gz JYPPUQPXCIBISM-RBUKOAKNSA-N 1 3 323.525 2.294 20 0 DEADHO C[C@@H](CN)C[N@H+](C)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254972608 1143377262 /nfs/dbraw/zinc/37/72/62/1143377262.db2.gz UVXJPAXCCNQILO-XQLPTFJDSA-N 1 3 311.470 2.301 20 0 DEADHO C[C@@H](CN)C[N@@H+](C)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254972608 1143377268 /nfs/dbraw/zinc/37/72/68/1143377268.db2.gz UVXJPAXCCNQILO-XQLPTFJDSA-N 1 3 311.470 2.301 20 0 DEADHO C[C@@H](CN)C[N@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001255229130 1143520261 /nfs/dbraw/zinc/52/02/61/1143520261.db2.gz JHHMOPMZCXFZAA-XQLPTFJDSA-N 1 3 311.470 2.444 20 0 DEADHO C[C@@H](CN)C[N@@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001255229130 1143520272 /nfs/dbraw/zinc/52/02/72/1143520272.db2.gz JHHMOPMZCXFZAA-XQLPTFJDSA-N 1 3 311.470 2.444 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)NCCCCC[NH+]1CCCCC1 ZINC001342110096 1143789801 /nfs/dbraw/zinc/78/98/01/1143789801.db2.gz DJANNAUWYTURRT-KRWDZBQOSA-N 1 3 324.513 2.426 20 0 DEADHO C[NH+]1CCC2(CN([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001255913349 1143814630 /nfs/dbraw/zinc/81/46/30/1143814630.db2.gz BDGVTIIHLQLRGX-OAHLLOKOSA-N 1 3 323.481 2.414 20 0 DEADHO CC[NH+](CC)CC[C@H](C)N[C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC001255954413 1143816612 /nfs/dbraw/zinc/81/66/12/1143816612.db2.gz WMTSUHSMJWBCDW-JKSUJKDBSA-N 1 3 318.465 2.006 20 0 DEADHO C(O[C@H]1CO[C@]2(CCN(C3CC[NH+](C4CC4)CC3)C2)C1)C1CC1 ZINC001256077018 1143827943 /nfs/dbraw/zinc/82/79/43/1143827943.db2.gz KMHDFLBLGIFIRN-RTBURBONSA-N 1 3 320.477 2.273 20 0 DEADHO C[C@](O)(C[NH2+]C1CCC(N2CCOCC2)CC1)c1ccccc1 ZINC001256676645 1143861507 /nfs/dbraw/zinc/86/15/07/1143861507.db2.gz TVDRXFAQXDUPPE-ACBHZAAOSA-N 1 3 318.461 2.127 20 0 DEADHO O=C(c1ccccc1)N1CCC([NH2+]CCCN2CCCC2)CC1 ZINC001258634136 1144028275 /nfs/dbraw/zinc/02/82/75/1144028275.db2.gz BYCZDOWBWNDHOE-UHFFFAOYSA-N 1 3 315.461 2.367 20 0 DEADHO CCC[NH+]1CCC(N[C@@H](CO)Cc2ccc(OC)cc2)CC1 ZINC001258768271 1144039343 /nfs/dbraw/zinc/03/93/43/1144039343.db2.gz GRKNBLCITNPLHA-QGZVFWFLSA-N 1 3 306.450 2.063 20 0 DEADHO CCC[NH+]1CCC(N[C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001258769305 1144039577 /nfs/dbraw/zinc/03/95/77/1144039577.db2.gz KTFOSUXDBZJOOA-CYBMUJFWSA-N 1 3 321.387 2.004 20 0 DEADHO CCCN1CCC([N@@H+]2CCC[C@@H](C(F)(F)F)[C@H]2CO)CC1 ZINC001258772395 1144039939 /nfs/dbraw/zinc/03/99/39/1144039939.db2.gz PNMHSKIEBWBKFF-ZIAGYGMSSA-N 1 3 308.388 2.496 20 0 DEADHO CCCN1CCC([N@H+]2CCC[C@@H](C(F)(F)F)[C@H]2CO)CC1 ZINC001258772395 1144039942 /nfs/dbraw/zinc/03/99/42/1144039942.db2.gz PNMHSKIEBWBKFF-ZIAGYGMSSA-N 1 3 308.388 2.496 20 0 DEADHO CCCN1CCC([NH2+][C@@H](CO)c2cccc(COC)c2)CC1 ZINC001258770996 1144040287 /nfs/dbraw/zinc/04/02/87/1144040287.db2.gz SPWXLWCVPXOQEJ-SFHVURJKSA-N 1 3 306.450 2.330 20 0 DEADHO COc1cc(C[C@H](C)N[C@@H]2CCC[C@@H]2[NH3+])cc(OC)c1OC ZINC001258870031 1144048605 /nfs/dbraw/zinc/04/86/05/1144048605.db2.gz NLNLOBUPFDOBTL-FPMFFAJLSA-N 1 3 308.422 2.113 20 0 DEADHO CN(CCCCCC[NH3+])CC(=O)N[C@H]1CCOc2ccccc21 ZINC001261890723 1144280199 /nfs/dbraw/zinc/28/01/99/1144280199.db2.gz MPXYWSHROJZKJA-INIZCTEOSA-N 1 3 319.449 2.077 20 0 DEADHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1CC[NH2+]CCC1CC1 ZINC001263955511 1144431489 /nfs/dbraw/zinc/43/14/89/1144431489.db2.gz MDZILEFKCMTBFJ-RHSMWYFYSA-N 1 3 318.465 2.359 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1)N(C)C ZINC001265556308 1144711816 /nfs/dbraw/zinc/71/18/16/1144711816.db2.gz ZHLRWYADCUXTFE-IXDOHACOSA-N 1 3 307.482 2.310 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCCC[C@H]2C[NH2+]CCF)c1 ZINC001265691203 1144728787 /nfs/dbraw/zinc/72/87/87/1144728787.db2.gz GOTPYLQLDVCJFZ-KRWDZBQOSA-N 1 3 321.440 2.302 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCCF ZINC001265691149 1144728989 /nfs/dbraw/zinc/72/89/89/1144728989.db2.gz FTTHHMSEYHEHAC-HZPDHXFCSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)N1CC([NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000393633066 1144757582 /nfs/dbraw/zinc/75/75/82/1144757582.db2.gz GWBMFWRVRDDSTG-UHFFFAOYSA-N 1 3 301.478 2.376 20 0 DEADHO CCC/C=C\CC[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001266037359 1144797414 /nfs/dbraw/zinc/79/74/14/1144797414.db2.gz PYCMQNIFZZJVNT-VGOKWCNXSA-N 1 3 307.482 2.267 20 0 DEADHO CC[C@H](C)C[NH2+]CC[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001280074414 1144831714 /nfs/dbraw/zinc/83/17/14/1144831714.db2.gz UGININPVVYRDFG-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)=CCN(C)[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001282410406 1145062596 /nfs/dbraw/zinc/06/25/96/1145062596.db2.gz CNJZBGKEMPZCCS-INIZCTEOSA-N 1 3 307.482 2.265 20 0 DEADHO CN(C)C1(C(=O)N(C)[C@H](C[NH2+]CCC2CC2)C2CC2)CCC1 ZINC001283510183 1145486291 /nfs/dbraw/zinc/48/62/91/1145486291.db2.gz OUJDZKNURSXVMY-MRXNPFEDSA-N 1 3 307.482 2.097 20 0 DEADHO COCCN1CCC([NH2+]Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC001364866843 1145640036 /nfs/dbraw/zinc/64/00/36/1145640036.db2.gz PKTLLFWQERRRBS-UHFFFAOYSA-N 1 3 314.433 2.277 20 0 DEADHO CCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCC2)CC1(C)C ZINC001284311917 1145834754 /nfs/dbraw/zinc/83/47/54/1145834754.db2.gz YUNKFSDOKIMLRS-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H](C)CC)C1 ZINC001365808802 1146016432 /nfs/dbraw/zinc/01/64/32/1146016432.db2.gz NNJXWKQIAGWOOJ-NXOAAHMSSA-N 1 3 309.498 2.391 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@H]1CCN(CCCc2ccsc2)C1 ZINC001365990690 1146992340 /nfs/dbraw/zinc/99/23/40/1146992340.db2.gz WQHZHNNRBFWPAJ-INIZCTEOSA-N 1 3 323.506 2.213 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]([NH2+]CC1CCCC1)C1CC1)N(C)C ZINC001366072425 1147040633 /nfs/dbraw/zinc/04/06/33/1147040633.db2.gz XJZJLIUSJZLCPR-IRXDYDNUSA-N 1 3 309.498 2.247 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001366171866 1147091676 /nfs/dbraw/zinc/09/16/76/1147091676.db2.gz PUJAYYPZRUBRJI-NCOADZHNSA-N 1 3 311.514 2.492 20 0 DEADHO CCCC[N@@H+]1CCC[C@H]1CCCNC(=O)CN1CC[C@H](C)C1 ZINC001492164899 1147107827 /nfs/dbraw/zinc/10/78/27/1147107827.db2.gz IZMZJOYPXYLSKL-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO CCCC[N@H+]1CCC[C@H]1CCCNC(=O)CN1CC[C@H](C)C1 ZINC001492164899 1147107833 /nfs/dbraw/zinc/10/78/33/1147107833.db2.gz IZMZJOYPXYLSKL-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO CCc1ccccc1C[NH2+][C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001366342229 1147224386 /nfs/dbraw/zinc/22/43/86/1147224386.db2.gz WDNRWJPGHRMXLR-HZPDHXFCSA-N 1 3 317.477 2.185 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001366365785 1147237532 /nfs/dbraw/zinc/23/75/32/1147237532.db2.gz KYKZZBDBNYDIDX-CXAGYDPISA-N 1 3 321.440 2.248 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2CC)C1 ZINC001366388429 1147247425 /nfs/dbraw/zinc/24/74/25/1147247425.db2.gz NUTZMTZVORQBEY-SFHVURJKSA-N 1 3 317.477 2.281 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)NCc1nccs1 ZINC001366458436 1147293158 /nfs/dbraw/zinc/29/31/58/1147293158.db2.gz CQYUVALIDJDQHC-UONOGXRCSA-N 1 3 324.494 2.002 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)NCc1nccs1 ZINC001366458436 1147293161 /nfs/dbraw/zinc/29/31/61/1147293161.db2.gz CQYUVALIDJDQHC-UONOGXRCSA-N 1 3 324.494 2.002 20 0 DEADHO C[C@@H](CCNC(=O)CN(C)CC(C)(C)C)[NH2+]C/C=C\Cl ZINC001366482233 1147303128 /nfs/dbraw/zinc/30/31/28/1147303128.db2.gz FERUWWZSNNPIOH-WOLRVDTOSA-N 1 3 303.878 2.201 20 0 DEADHO CC(C)[C@H](C(=O)NCC[N@H+](C)C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001366583821 1147374067 /nfs/dbraw/zinc/37/40/67/1147374067.db2.gz JOVTZFXMCHMVLI-ZIAGYGMSSA-N 1 3 319.440 2.056 20 0 DEADHO CC(C)[C@H](C(=O)NCC[N@@H+](C)C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001366583821 1147374074 /nfs/dbraw/zinc/37/40/74/1147374074.db2.gz JOVTZFXMCHMVLI-ZIAGYGMSSA-N 1 3 319.440 2.056 20 0 DEADHO CC[N@H+](CCNC(=O)C(C)(C)N1CCCCC1)CC[C@@H](C)F ZINC001366612071 1147393515 /nfs/dbraw/zinc/39/35/15/1147393515.db2.gz PLDOOIPLUBNHAO-OAHLLOKOSA-N 1 3 315.477 2.437 20 0 DEADHO CC[N@@H+](CCNC(=O)C(C)(C)N1CCCCC1)CC[C@@H](C)F ZINC001366612071 1147393517 /nfs/dbraw/zinc/39/35/17/1147393517.db2.gz PLDOOIPLUBNHAO-OAHLLOKOSA-N 1 3 315.477 2.437 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH2+]CCC2CC2)C1)N(C)C ZINC001317162262 1147668519 /nfs/dbraw/zinc/66/85/19/1147668519.db2.gz MTWAOTPBBWUWSV-DLBZAZTESA-N 1 3 309.498 2.201 20 0 DEADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(F)c1 ZINC001367394448 1147688639 /nfs/dbraw/zinc/68/86/39/1147688639.db2.gz BTYHXLLMCYVKMC-AWEZNQCLSA-N 1 3 309.429 2.104 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccsc1 ZINC001367561273 1147716403 /nfs/dbraw/zinc/71/64/03/1147716403.db2.gz LAJPNYNATYSSIS-HOTGVXAUSA-N 1 3 323.506 2.463 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccc(CF)cc1)N(C)C ZINC001367847321 1147759839 /nfs/dbraw/zinc/75/98/39/1147759839.db2.gz HGWCKVSCHVHEMN-PBHICJAKSA-N 1 3 323.456 2.433 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(CF)cc1)N(C)C ZINC001367847321 1147759840 /nfs/dbraw/zinc/75/98/40/1147759840.db2.gz HGWCKVSCHVHEMN-PBHICJAKSA-N 1 3 323.456 2.433 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[N@@H+](C)C[C@@H](C)CC(C)C ZINC001367855278 1147761485 /nfs/dbraw/zinc/76/14/85/1147761485.db2.gz VSNHITUJIHBAFK-UONOGXRCSA-N 1 3 308.470 2.379 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[N@H+](C)C[C@@H](C)CC(C)C ZINC001367855278 1147761487 /nfs/dbraw/zinc/76/14/87/1147761487.db2.gz VSNHITUJIHBAFK-UONOGXRCSA-N 1 3 308.470 2.379 20 0 DEADHO CCCCCC[NH+]1CC(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001318176061 1147790747 /nfs/dbraw/zinc/79/07/47/1147790747.db2.gz HRBTXOOIGXOURA-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001368033970 1147837214 /nfs/dbraw/zinc/83/72/14/1147837214.db2.gz BXJWBYLTONEDHX-UHFFFAOYSA-N 1 3 307.482 2.147 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001325779883 1147998768 /nfs/dbraw/zinc/99/87/68/1147998768.db2.gz XLNGQPXHLXVBLN-UGZFAFSNSA-N 1 3 307.482 2.073 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001325779883 1147998772 /nfs/dbraw/zinc/99/87/72/1147998772.db2.gz XLNGQPXHLXVBLN-UGZFAFSNSA-N 1 3 307.482 2.073 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCC2CC2)C1 ZINC001326437263 1148100260 /nfs/dbraw/zinc/10/02/60/1148100260.db2.gz JXIVVEQOCYEQCJ-MSOLQXFVSA-N 1 3 321.509 2.489 20 0 DEADHO C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](CNC/C(Cl)=C\Cl)C1 ZINC001369416851 1148957221 /nfs/dbraw/zinc/95/72/21/1148957221.db2.gz HLKUKTYLIDJIHJ-HIZVYSOWSA-N 1 3 322.280 2.132 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC1([NH2+]CCCF)CCC1 ZINC001326900863 1148286209 /nfs/dbraw/zinc/28/62/09/1148286209.db2.gz ZDLXPIDFSOMZNH-HNNXBMFYSA-N 1 3 313.461 2.237 20 0 DEADHO CCCC[NH+]1CCC(C)(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001368200202 1148320386 /nfs/dbraw/zinc/32/03/86/1148320386.db2.gz CLAFCOAXZOLZJC-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO OC1CCN(Cc2ccccc2C[NH2+]C[C@@H]2CCSC2)CC1 ZINC000278333886 214097827 /nfs/dbraw/zinc/09/78/27/214097827.db2.gz GDXHXXMCEZDQNR-HNNXBMFYSA-N 1 3 320.502 2.486 20 0 DEADHO CCO[C@@H](CC[NH+](C)C)CNCc1c[nH]nc1-c1ccc(C)o1 ZINC000150990702 282109343 /nfs/dbraw/zinc/10/93/43/282109343.db2.gz CLTFBOGIGXWUDK-HNNXBMFYSA-N 1 3 320.437 2.425 20 0 DEADHO C[NH+](C)CCc1ccc(NC(=O)C23CCCN2CCC3)cc1 ZINC000415119473 282114874 /nfs/dbraw/zinc/11/48/74/282114874.db2.gz FLUVZTGBIZHIAD-UHFFFAOYSA-N 1 3 301.434 2.358 20 0 DEADHO CC[C@@H](C)N[C@@H](CNC(=O)NC(C)(C)CC[NH3+])c1ccco1 ZINC000422624584 529375411 /nfs/dbraw/zinc/37/54/11/529375411.db2.gz ZZJMXGNRBPIZLU-OLZOCXBDSA-N 1 3 310.442 2.135 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000417828767 529613007 /nfs/dbraw/zinc/61/30/07/529613007.db2.gz HQPLKLSPLGBTDF-YXJHDRRASA-N 1 3 317.477 2.391 20 0 DEADHO CN1CC[C@@]2(CC[N@H+](CCc3ccc4c(c3)OCCO4)C2)C1 ZINC000429023477 529802425 /nfs/dbraw/zinc/80/24/25/529802425.db2.gz UTSVMIOCUCQGJV-GOSISDBHSA-N 1 3 302.418 2.028 20 0 DEADHO CN1CC[C@@]2(CC[N@@H+](CCc3ccc4c(c3)OCCO4)C2)C1 ZINC000429023477 529802426 /nfs/dbraw/zinc/80/24/26/529802426.db2.gz UTSVMIOCUCQGJV-GOSISDBHSA-N 1 3 302.418 2.028 20 0 DEADHO CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCCCN1CC ZINC000189564883 282312921 /nfs/dbraw/zinc/31/29/21/282312921.db2.gz DOVCKRDRNIFKNH-MRXNPFEDSA-N 1 3 312.502 2.234 20 0 DEADHO C[NH2+]CCCNC(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000418031662 529969726 /nfs/dbraw/zinc/96/97/26/529969726.db2.gz KZOODAAATJXUSB-QGZVFWFLSA-N 1 3 320.481 2.052 20 0 DEADHO C[C@@H](CN(C)C)NC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000614838361 362473279 /nfs/dbraw/zinc/47/32/79/362473279.db2.gz GZGBRZJVDAGSPD-FUHWJXTLSA-N 1 3 317.477 2.007 20 0 DEADHO C[C@@H](CN(C)C)NC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000614838361 362473285 /nfs/dbraw/zinc/47/32/85/362473285.db2.gz GZGBRZJVDAGSPD-FUHWJXTLSA-N 1 3 317.477 2.007 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000447966309 530051502 /nfs/dbraw/zinc/05/15/02/530051502.db2.gz KGNDBWPLNPGFFZ-OAGGEKHMSA-N 1 3 322.497 2.033 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000447966309 530051503 /nfs/dbraw/zinc/05/15/03/530051503.db2.gz KGNDBWPLNPGFFZ-OAGGEKHMSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](N[C@@H]1CCN(c2ccccc2F)C1=O)C1CC[NH+](C)CC1 ZINC000089621421 539411788 /nfs/dbraw/zinc/41/17/88/539411788.db2.gz PRHOWDPECHDRLE-XJKSGUPXSA-N 1 3 319.424 2.251 20 0 DEADHO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000093482187 539431462 /nfs/dbraw/zinc/43/14/62/539431462.db2.gz UZKQPXBHKJWWMZ-NVXWUHKLSA-N 1 3 306.450 2.362 20 0 DEADHO C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000093482187 539431467 /nfs/dbraw/zinc/43/14/67/539431467.db2.gz UZKQPXBHKJWWMZ-NVXWUHKLSA-N 1 3 306.450 2.362 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)cc1 ZINC000093820010 539432397 /nfs/dbraw/zinc/43/23/97/539432397.db2.gz MSUYBPDQHXOYKJ-SFHVURJKSA-N 1 3 304.434 2.239 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+]2CC[C@]3(CCOC3)C2)cc1 ZINC000093820010 539432403 /nfs/dbraw/zinc/43/24/03/539432403.db2.gz MSUYBPDQHXOYKJ-SFHVURJKSA-N 1 3 304.434 2.239 20 0 DEADHO CCOC[C@@H]1CCN(CC[C@@H](C)[N@@H+]2CC[C@H](COCC)C2)C1 ZINC000153662911 539545488 /nfs/dbraw/zinc/54/54/88/539545488.db2.gz WYLMZHZXGXUFJE-KURKYZTESA-N 1 3 312.498 2.482 20 0 DEADHO CCOC[C@@H]1CCN(CC[C@@H](C)[N@H+]2CC[C@H](COCC)C2)C1 ZINC000153662911 539545494 /nfs/dbraw/zinc/54/54/94/539545494.db2.gz WYLMZHZXGXUFJE-KURKYZTESA-N 1 3 312.498 2.482 20 0 DEADHO CCOC[C@@H]1CC[N@@H+](CC[C@@H](C)N2CC[C@H](COCC)C2)C1 ZINC000153662911 539545498 /nfs/dbraw/zinc/54/54/98/539545498.db2.gz WYLMZHZXGXUFJE-KURKYZTESA-N 1 3 312.498 2.482 20 0 DEADHO CCOC[C@@H]1CC[N@H+](CC[C@@H](C)N2CC[C@H](COCC)C2)C1 ZINC000153662911 539545501 /nfs/dbraw/zinc/54/55/01/539545501.db2.gz WYLMZHZXGXUFJE-KURKYZTESA-N 1 3 312.498 2.482 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000155726467 539560769 /nfs/dbraw/zinc/56/07/69/539560769.db2.gz NXQFNBMKTQFQPS-BBRMVZONSA-N 1 3 307.438 2.329 20 0 DEADHO C[C@@H]1C[C@H](NC[C@H](O)COc2ccccc2Cl)CC[N@@H+]1C ZINC000158146284 539575707 /nfs/dbraw/zinc/57/57/07/539575707.db2.gz FWPIMUSVRBUJBV-MCIONIFRSA-N 1 3 312.841 2.152 20 0 DEADHO C[C@@H]1C[C@H](NC[C@H](O)COc2ccccc2Cl)CC[N@H+]1C ZINC000158146284 539575712 /nfs/dbraw/zinc/57/57/12/539575712.db2.gz FWPIMUSVRBUJBV-MCIONIFRSA-N 1 3 312.841 2.152 20 0 DEADHO C[C@@H](CN(C)C)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000286942349 219236312 /nfs/dbraw/zinc/23/63/12/219236312.db2.gz JZOJASKMKWPYAU-INIZCTEOSA-N 1 3 317.477 2.355 20 0 DEADHO C[C@@H](CNC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1)N(C)C ZINC000616488918 362872486 /nfs/dbraw/zinc/87/24/86/362872486.db2.gz CFBSASHSOPWNFI-FUHWJXTLSA-N 1 3 317.477 2.007 20 0 DEADHO C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)N(C)C ZINC000616488918 362872490 /nfs/dbraw/zinc/87/24/90/362872490.db2.gz CFBSASHSOPWNFI-FUHWJXTLSA-N 1 3 317.477 2.007 20 0 DEADHO CCN1CC[C@H](C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000279923671 215241632 /nfs/dbraw/zinc/24/16/32/215241632.db2.gz MTMYBGOQCDMNLX-CYBMUJFWSA-N 1 3 319.840 2.352 20 0 DEADHO COC[C@@H]1CCCN(CC[C@@H](C)[N@@H+]2CCC[C@@H](COC)C2)C1 ZINC000245696314 539757520 /nfs/dbraw/zinc/75/75/20/539757520.db2.gz SDPOGALUIFFNIK-KZNAEPCWSA-N 1 3 312.498 2.482 20 0 DEADHO COC[C@@H]1CCCN(CC[C@@H](C)[N@H+]2CCC[C@@H](COC)C2)C1 ZINC000245696314 539757526 /nfs/dbraw/zinc/75/75/26/539757526.db2.gz SDPOGALUIFFNIK-KZNAEPCWSA-N 1 3 312.498 2.482 20 0 DEADHO COC[C@@H]1CCCN([C@H](C)CC[N@@H+]2CCC[C@@H](COC)C2)C1 ZINC000245696314 539757529 /nfs/dbraw/zinc/75/75/29/539757529.db2.gz SDPOGALUIFFNIK-KZNAEPCWSA-N 1 3 312.498 2.482 20 0 DEADHO COC[C@@H]1CCCN([C@H](C)CC[N@H+]2CCC[C@@H](COC)C2)C1 ZINC000245696314 539757535 /nfs/dbraw/zinc/75/75/35/539757535.db2.gz SDPOGALUIFFNIK-KZNAEPCWSA-N 1 3 312.498 2.482 20 0 DEADHO CN1CCC(O)(C[NH2+][C@H]2CCSc3c(F)cccc32)CC1 ZINC000268993697 539796363 /nfs/dbraw/zinc/79/63/63/539796363.db2.gz NDNDYVZKJPFFIT-AWEZNQCLSA-N 1 3 310.438 2.409 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(C)[C@@H]2CCN(C(C)C)C2)C1 ZINC000458530806 535128676 /nfs/dbraw/zinc/12/86/76/535128676.db2.gz IMRJQXRVHPKLGA-DLBZAZTESA-N 1 3 324.513 2.088 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N(C)[C@@H]2CCN(C(C)C)C2)C1 ZINC000458530806 535128680 /nfs/dbraw/zinc/12/86/80/535128680.db2.gz IMRJQXRVHPKLGA-DLBZAZTESA-N 1 3 324.513 2.088 20 0 DEADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)[C@H](C)OC)cc2)CC1 ZINC000268760757 186382371 /nfs/dbraw/zinc/38/23/71/186382371.db2.gz GXXKJCRDGAEMPV-SJORKVTESA-N 1 3 319.493 2.337 20 0 DEADHO CC(C)N1CCC([NH2+][C@H](C)C(=O)NCc2ccccc2F)CC1 ZINC000173614860 198232663 /nfs/dbraw/zinc/23/26/63/198232663.db2.gz APOFEMADEZDKDQ-CQSZACIVSA-N 1 3 321.440 2.293 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@]2(C)CCC[NH2+]C2)cc1 ZINC000236772864 202002948 /nfs/dbraw/zinc/00/29/48/202002948.db2.gz WMUUZFRGIDXISQ-SJLPKXTDSA-N 1 3 303.450 2.316 20 0 DEADHO CCC[NH+]1CCC(NC(=O)[C@@H](C)[C@H](N)c2ccccc2)CC1 ZINC000236776091 202003559 /nfs/dbraw/zinc/00/35/59/202003559.db2.gz NAXANTIGPNFGJZ-YOEHRIQHSA-N 1 3 303.450 2.313 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(C)nc1 ZINC000349063727 540027391 /nfs/dbraw/zinc/02/73/91/540027391.db2.gz REBGGIXLLRSNQF-GOSISDBHSA-N 1 3 304.482 2.238 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(C)nc1 ZINC000349063727 540027393 /nfs/dbraw/zinc/02/73/93/540027393.db2.gz REBGGIXLLRSNQF-GOSISDBHSA-N 1 3 304.482 2.238 20 0 DEADHO C[C@H](C(=O)NCc1ccccc1)N1CCC(CC[NH+](C)C)CC1 ZINC000056523681 354536113 /nfs/dbraw/zinc/53/61/13/354536113.db2.gz NGWFMUNKRHHVTM-MRXNPFEDSA-N 1 3 317.477 2.355 20 0 DEADHO CN1CCC[C@@H]1CNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338536235 283033562 /nfs/dbraw/zinc/03/35/62/283033562.db2.gz MFLAUUQTJZJGED-QGZVFWFLSA-N 1 3 301.434 2.106 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)C1([NH3+])CCCC1)c1ccccc1 ZINC000236818870 202024748 /nfs/dbraw/zinc/02/47/48/202024748.db2.gz RCQREVSQEHJEQU-INIZCTEOSA-N 1 3 303.450 2.457 20 0 DEADHO CCC[C@@]1(C)CCCN(CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000076145996 355130203 /nfs/dbraw/zinc/13/02/03/355130203.db2.gz COKQLCHMNLYEMZ-SFHVURJKSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)[NH2+]CC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000379663388 540122184 /nfs/dbraw/zinc/12/21/84/540122184.db2.gz LEXFOMZZUUVYLM-RDJZCZTQSA-N 1 3 303.450 2.154 20 0 DEADHO Cc1cccc(C)c1OC[C@H](O)CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000388084209 540129673 /nfs/dbraw/zinc/12/96/73/540129673.db2.gz BWNSHAWMQHJGLB-BRWVUGGUSA-N 1 3 306.450 2.115 20 0 DEADHO Cc1cccc(C)c1OC[C@H](O)CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000388084209 540129676 /nfs/dbraw/zinc/12/96/76/540129676.db2.gz BWNSHAWMQHJGLB-BRWVUGGUSA-N 1 3 306.450 2.115 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000414923631 540157620 /nfs/dbraw/zinc/15/76/20/540157620.db2.gz IUEOHWFYFRXVRY-BFHYXJOUSA-N 1 3 305.422 2.272 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@@H](N)C2)c1 ZINC000414923631 540157621 /nfs/dbraw/zinc/15/76/21/540157621.db2.gz IUEOHWFYFRXVRY-BFHYXJOUSA-N 1 3 305.422 2.272 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+][C@@H]2CCC[C@@H]2CO)CC1 ZINC000088734979 355518485 /nfs/dbraw/zinc/51/84/85/355518485.db2.gz WWWWBXBTKMGSPN-QZTJIDSGSA-N 1 3 317.477 2.079 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)C1CC[NH2+]CC1)c1ccccc1 ZINC000236819345 202025797 /nfs/dbraw/zinc/02/57/97/202025797.db2.gz IYMFVSDSMFNMMP-KRWDZBQOSA-N 1 3 303.450 2.185 20 0 DEADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc(F)cn2)CC1 ZINC000092739012 355649472 /nfs/dbraw/zinc/64/94/72/355649472.db2.gz YRFZFKZITHQYCK-OAHLLOKOSA-N 1 3 308.445 2.289 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000452567998 540193692 /nfs/dbraw/zinc/19/36/92/540193692.db2.gz ATTUARMXFQAMRC-HZPDHXFCSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000452567998 540193695 /nfs/dbraw/zinc/19/36/95/540193695.db2.gz ATTUARMXFQAMRC-HZPDHXFCSA-N 1 3 307.482 2.194 20 0 DEADHO COCC[N@H+](C)CCCC1CCN(Cc2ccc(CO)o2)CC1 ZINC000093769445 355687816 /nfs/dbraw/zinc/68/78/16/355687816.db2.gz CHYPQLSUOUFXRD-UHFFFAOYSA-N 1 3 324.465 2.342 20 0 DEADHO COCC[N@@H+](C)CCCC1CCN(Cc2ccc(CO)o2)CC1 ZINC000093769445 355687817 /nfs/dbraw/zinc/68/78/17/355687817.db2.gz CHYPQLSUOUFXRD-UHFFFAOYSA-N 1 3 324.465 2.342 20 0 DEADHO CC1(C)CC(NC(=O)N[C@H]2CCN(CC3CC3)C2)CC(C)(C)[NH2+]1 ZINC000108537870 355735927 /nfs/dbraw/zinc/73/59/27/355735927.db2.gz FKBJUFCTJWJRCV-AWEZNQCLSA-N 1 3 322.497 2.079 20 0 DEADHO CN1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000370488873 283124632 /nfs/dbraw/zinc/12/46/32/283124632.db2.gz VAMNESSWYJMMKZ-SJORKVTESA-N 1 3 307.482 2.338 20 0 DEADHO CN1CCCC[C@@H]1CC[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000370488873 283124634 /nfs/dbraw/zinc/12/46/34/283124634.db2.gz VAMNESSWYJMMKZ-SJORKVTESA-N 1 3 307.482 2.338 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CCCN1Cc1ccccc1)[C@H](C)[NH3+] ZINC000399388533 283152375 /nfs/dbraw/zinc/15/23/75/283152375.db2.gz RLGWUQSTOBHRSK-JQHSSLGASA-N 1 3 317.477 2.387 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCN1Cc1ccccc1)[C@H](C)[NH3+] ZINC000399388539 283152560 /nfs/dbraw/zinc/15/25/60/283152560.db2.gz RLGWUQSTOBHRSK-SZMVWBNQSA-N 1 3 317.477 2.387 20 0 DEADHO CCc1cccc(OC[C@H](O)CN[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000317423556 356434378 /nfs/dbraw/zinc/43/43/78/356434378.db2.gz OKKUREYVYGKMKV-DJIMGWMZSA-N 1 3 306.450 2.061 20 0 DEADHO CCc1cccc(OC[C@H](O)CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000317423556 356434380 /nfs/dbraw/zinc/43/43/80/356434380.db2.gz OKKUREYVYGKMKV-DJIMGWMZSA-N 1 3 306.450 2.061 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000357996004 283176580 /nfs/dbraw/zinc/17/65/80/283176580.db2.gz WBXJSXQASNMRCW-CVEARBPZSA-N 1 3 312.502 2.280 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000357996004 283176583 /nfs/dbraw/zinc/17/65/83/283176583.db2.gz WBXJSXQASNMRCW-CVEARBPZSA-N 1 3 312.502 2.280 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](CN)c1ccccc1 ZINC000236910987 202067007 /nfs/dbraw/zinc/06/70/07/202067007.db2.gz XRIFLWIEEAKQEW-SJORKVTESA-N 1 3 303.450 2.110 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H](CN)c1ccccc1 ZINC000236910987 202067010 /nfs/dbraw/zinc/06/70/10/202067010.db2.gz XRIFLWIEEAKQEW-SJORKVTESA-N 1 3 303.450 2.110 20 0 DEADHO C[C@@H]1CCN[C@@H](C)[C@H]1[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000420354750 283192664 /nfs/dbraw/zinc/19/26/64/283192664.db2.gz BLQHNAYJODGZNC-WQGACYEGSA-N 1 3 319.840 2.397 20 0 DEADHO CCC[C@@H](N)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000236969578 202101020 /nfs/dbraw/zinc/10/10/20/202101020.db2.gz CPQKQELBTVCFLT-QGZVFWFLSA-N 1 3 303.450 2.416 20 0 DEADHO CN(C)Cc1ccccc1CNC(=O)CCC1CC[NH2+]CC1 ZINC000237038498 202130678 /nfs/dbraw/zinc/13/06/78/202130678.db2.gz NCTVTMYPUUHEGF-UHFFFAOYSA-N 1 3 303.450 2.144 20 0 DEADHO C[NH+](C)Cc1cccc(CNC(=O)C[C@H](N)c2ccccc2)c1 ZINC000237057008 202138147 /nfs/dbraw/zinc/13/81/47/202138147.db2.gz PKVIWXWOYNKIHC-SFHVURJKSA-N 1 3 311.429 2.455 20 0 DEADHO COCC(COC)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000384912114 356685493 /nfs/dbraw/zinc/68/54/93/356685493.db2.gz CDHNKMCXZIOAGW-BHIYHBOVSA-N 1 3 318.461 2.148 20 0 DEADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000387403935 356704389 /nfs/dbraw/zinc/70/43/89/356704389.db2.gz BEFSVLLKEDWZAS-JKSUJKDBSA-N 1 3 305.466 2.430 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2(N)CCC2)CC1 ZINC000578135047 356767481 /nfs/dbraw/zinc/76/74/81/356767481.db2.gz OWWQIQQQYWCMOR-OAHLLOKOSA-N 1 3 307.482 2.371 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2(N)CCC2)CC1 ZINC000578135047 356767486 /nfs/dbraw/zinc/76/74/86/356767486.db2.gz OWWQIQQQYWCMOR-OAHLLOKOSA-N 1 3 307.482 2.371 20 0 DEADHO CN(C)CCN(CCC[NH+]1CCCCC1)Cc1ccccn1 ZINC000579001046 356905764 /nfs/dbraw/zinc/90/57/64/356905764.db2.gz OUKQHHWXAIHZEV-UHFFFAOYSA-N 1 3 304.482 2.321 20 0 DEADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1cccc2c1CCNC2 ZINC000578977999 356900638 /nfs/dbraw/zinc/90/06/38/356900638.db2.gz BAUUAVUGXPUCAA-AWEZNQCLSA-N 1 3 316.449 2.138 20 0 DEADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1cccc2c1CCNC2 ZINC000578977999 356900642 /nfs/dbraw/zinc/90/06/42/356900642.db2.gz BAUUAVUGXPUCAA-AWEZNQCLSA-N 1 3 316.449 2.138 20 0 DEADHO O=C1NCC[C@@H]1CCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000579854693 357044500 /nfs/dbraw/zinc/04/45/00/357044500.db2.gz IRFNHUQLSWXAAW-DLBZAZTESA-N 1 3 307.482 2.101 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCCc2sccc21 ZINC000581169075 357140751 /nfs/dbraw/zinc/14/07/51/357140751.db2.gz BYOQGPARRSBEQB-HNNXBMFYSA-N 1 3 323.506 2.120 20 0 DEADHO Cn1nccc1N1CCC[C@H]([NH2+][C@H]2C[C@H](N)c3ccccc32)C1 ZINC000581601922 357213166 /nfs/dbraw/zinc/21/31/66/357213166.db2.gz ZSDYODYWDQFEKK-JQFCIGGWSA-N 1 3 311.433 2.123 20 0 DEADHO CC(C)(C)N1CCC([NH2+]Cc2ccc(CC(N)=O)cc2)CC1 ZINC000589642217 357486317 /nfs/dbraw/zinc/48/63/17/357486317.db2.gz GATICKQYRXJMHB-UHFFFAOYSA-N 1 3 303.450 2.067 20 0 DEADHO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000590657683 357573800 /nfs/dbraw/zinc/57/38/00/357573800.db2.gz MGTYJYFCRYRZLV-SJORKVTESA-N 1 3 320.433 2.058 20 0 DEADHO CC(C)=C[C@H]1[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)C1(C)C ZINC000590817398 357620082 /nfs/dbraw/zinc/62/00/82/357620082.db2.gz CGEAHGVOSSBNHW-HOTGVXAUSA-N 1 3 309.498 2.177 20 0 DEADHO CC[NH+]1CCC(CNC(=O)N[C@@H](C)CN2CCC(C)CC2)CC1 ZINC000660837026 540311607 /nfs/dbraw/zinc/31/16/07/540311607.db2.gz GZFOBYVJCOICPV-INIZCTEOSA-N 1 3 324.513 2.138 20 0 DEADHO NC(=O)[C@H]1CCCN(CCC[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000459419194 283300841 /nfs/dbraw/zinc/30/08/41/283300841.db2.gz BFTHBAXYOBBPHO-SFHVURJKSA-N 1 3 315.461 2.241 20 0 DEADHO CCCN(C)CC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000592839972 357955991 /nfs/dbraw/zinc/95/59/91/357955991.db2.gz FUFWTFVJBSPVGI-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000662686435 540332909 /nfs/dbraw/zinc/33/29/09/540332909.db2.gz NDLFZORBDKAAOW-BQFCYCMXSA-N 1 3 317.433 2.194 20 0 DEADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)CC1([NH3+])CC1 ZINC000662821607 540334395 /nfs/dbraw/zinc/33/43/95/540334395.db2.gz FFVAWOGBEQBUMJ-UHFFFAOYSA-N 1 3 316.449 2.028 20 0 DEADHO CCC[C@H](C)C[N@@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663512926 540340016 /nfs/dbraw/zinc/34/00/16/540340016.db2.gz QLSBAOCPDOAWRR-JKSUJKDBSA-N 1 3 319.497 2.435 20 0 DEADHO CCC[C@H](C)C[N@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663512926 540340019 /nfs/dbraw/zinc/34/00/19/540340019.db2.gz QLSBAOCPDOAWRR-JKSUJKDBSA-N 1 3 319.497 2.435 20 0 DEADHO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ccnc3ccccc32)CC1 ZINC000371338840 283320728 /nfs/dbraw/zinc/32/07/28/283320728.db2.gz IVRVDTJQDOVODJ-SFHVURJKSA-N 1 3 324.428 2.153 20 0 DEADHO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2ccnc3ccccc32)CC1 ZINC000371338840 283320734 /nfs/dbraw/zinc/32/07/34/283320734.db2.gz IVRVDTJQDOVODJ-SFHVURJKSA-N 1 3 324.428 2.153 20 0 DEADHO CCCN1CC[C@@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000666928836 540365563 /nfs/dbraw/zinc/36/55/63/540365563.db2.gz UWCQZGPQUAJHSO-MRXNPFEDSA-N 1 3 322.497 2.131 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000346168716 283332904 /nfs/dbraw/zinc/33/29/04/283332904.db2.gz URHAXQBKRJDTJO-YLFCFFPRSA-N 1 3 307.482 2.050 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000346168716 283332905 /nfs/dbraw/zinc/33/29/05/283332905.db2.gz URHAXQBKRJDTJO-YLFCFFPRSA-N 1 3 307.482 2.050 20 0 DEADHO C[C@H](CNC(=O)C1([NH3+])CCCCC1)N(C)Cc1ccccc1 ZINC000237379756 202250544 /nfs/dbraw/zinc/25/05/44/202250544.db2.gz XPJHFSAAPBYHLT-OAHLLOKOSA-N 1 3 303.450 2.285 20 0 DEADHO CCN(CC[NH3+])C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000627045184 366420662 /nfs/dbraw/zinc/42/06/62/366420662.db2.gz KHDJOIRWNNDLQI-HNNXBMFYSA-N 1 3 324.494 2.001 20 0 DEADHO C[C@H]1C[C@H]1N1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@@H](C)C1 ZINC000346213684 291156396 /nfs/dbraw/zinc/15/63/96/291156396.db2.gz YRFUVDINZNNCGR-RLFYNMQTSA-N 1 3 319.493 2.050 20 0 DEADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1cccc(CN)c1 ZINC000667728524 540515993 /nfs/dbraw/zinc/51/59/93/540515993.db2.gz UVCVTILSNXKHIG-INIZCTEOSA-N 1 3 304.438 2.483 20 0 DEADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1cccc(CN)c1 ZINC000667728524 540515995 /nfs/dbraw/zinc/51/59/95/540515995.db2.gz UVCVTILSNXKHIG-INIZCTEOSA-N 1 3 304.438 2.483 20 0 DEADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cccc(CN)c1 ZINC000667733392 540516726 /nfs/dbraw/zinc/51/67/26/540516726.db2.gz BVCNTYSANWSTCX-CZUORRHYSA-N 1 3 302.422 2.236 20 0 DEADHO C[NH+](C)CCOc1cccc(CN[C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000667791055 540527286 /nfs/dbraw/zinc/52/72/86/540527286.db2.gz CHAIVWGNXFQEDC-SJLPKXTDSA-N 1 3 304.434 2.284 20 0 DEADHO Cn1ncc(C2CC2)c1CN1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000668169101 540606365 /nfs/dbraw/zinc/60/63/65/540606365.db2.gz IWYHCVQNBLKRPZ-MRXNPFEDSA-N 1 3 302.466 2.461 20 0 DEADHO COC(=O)Cc1ccc(C[NH2+]C2CCN(C(C)C)CC2)cc1 ZINC000600188553 359681054 /nfs/dbraw/zinc/68/10/54/359681054.db2.gz XSFQKGFDOHSSNS-UHFFFAOYSA-N 1 3 304.434 2.365 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000668302545 540642733 /nfs/dbraw/zinc/64/27/33/540642733.db2.gz JSFGIHDHXCWIGL-FVQHAEBGSA-N 1 3 309.498 2.155 20 0 DEADHO [NH3+]C1(C(=O)NCCCN2CCc3ccccc3C2)CCCCC1 ZINC000237915125 202390239 /nfs/dbraw/zinc/39/02/39/202390239.db2.gz SRFAFMGFTABKED-UHFFFAOYSA-N 1 3 315.461 2.213 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)C1 ZINC000601244312 359980203 /nfs/dbraw/zinc/98/02/03/359980203.db2.gz NIZJRPUQECFMCF-GVDBMIGSSA-N 1 3 324.513 2.421 20 0 DEADHO CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)C1 ZINC000601274060 359990071 /nfs/dbraw/zinc/99/00/71/359990071.db2.gz HDHBUIWNLLYBHH-IKGGRYGDSA-N 1 3 324.513 2.279 20 0 DEADHO CC[C@H]1CN(C(=O)NCC(C)(C)N2CCCCC2)CC[C@H]1[NH3+] ZINC000668634157 540701531 /nfs/dbraw/zinc/70/15/31/540701531.db2.gz RCDPNBDTWICCAB-LSDHHAIUSA-N 1 3 310.486 2.020 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)cc1 ZINC000668706243 540714366 /nfs/dbraw/zinc/71/43/66/540714366.db2.gz RAVXARJKXRBBQS-IAGOWNOFSA-N 1 3 304.434 2.095 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+]2CC[C@@H]3COC[C@H]3C2)cc1 ZINC000668706243 540714369 /nfs/dbraw/zinc/71/43/69/540714369.db2.gz RAVXARJKXRBBQS-IAGOWNOFSA-N 1 3 304.434 2.095 20 0 DEADHO O[C@H]1CCN(C2CC[NH+](C[C@@H]3CCOc4ccccc43)CC2)C1 ZINC000668740319 540723172 /nfs/dbraw/zinc/72/31/72/540723172.db2.gz TUSPTGJBQCCTBJ-RDJZCZTQSA-N 1 3 316.445 2.084 20 0 DEADHO CC[NH2+]CCCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000669323271 540816196 /nfs/dbraw/zinc/81/61/96/540816196.db2.gz FWVCOGULRYUFBI-QGZVFWFLSA-N 1 3 318.465 2.122 20 0 DEADHO C[C@@]1(C(=O)NCc2ccccc2CN2CCCCC2)CCC[NH2+]1 ZINC000520234319 283588334 /nfs/dbraw/zinc/58/83/34/283588334.db2.gz YAGZPARBECTRNS-IBGZPJMESA-N 1 3 315.461 2.431 20 0 DEADHO CC[C@@H](CN1CCCC1)NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000669529917 540854310 /nfs/dbraw/zinc/85/43/10/540854310.db2.gz IYCNWAOMDPCAPF-DLBZAZTESA-N 1 3 322.497 2.034 20 0 DEADHO C[NH+](C)CCCNC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000669593343 540871305 /nfs/dbraw/zinc/87/13/05/540871305.db2.gz AKSPCANMXIXPOO-UHFFFAOYSA-N 1 3 324.513 2.284 20 0 DEADHO Cc1ccncc1[C@H](C)[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000669692310 540880764 /nfs/dbraw/zinc/88/07/64/540880764.db2.gz QWRINJAPLLALAH-KRWDZBQOSA-N 1 3 304.482 2.457 20 0 DEADHO C[NH+](C)C1CC(NC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000670401596 540930551 /nfs/dbraw/zinc/93/05/51/540930551.db2.gz OABKEEYNWBEPDH-UHFFFAOYSA-N 1 3 301.434 2.105 20 0 DEADHO C[C@@H]([NH3+])CCC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000193305100 201025933 /nfs/dbraw/zinc/02/59/33/201025933.db2.gz FFBBRYYWALOJSQ-CYBMUJFWSA-N 1 3 309.479 2.204 20 0 DEADHO C[C@H]1[C@@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CCCN1C ZINC000345758727 291285537 /nfs/dbraw/zinc/28/55/37/291285537.db2.gz UAXPJTXCLRUEOU-RDJZCZTQSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H]1[C@@H](NC(=O)N2CCC[N@H+](C3CCCC3)CC2)CCCN1C ZINC000345758727 291285541 /nfs/dbraw/zinc/28/55/41/291285541.db2.gz UAXPJTXCLRUEOU-RDJZCZTQSA-N 1 3 322.497 2.129 20 0 DEADHO C[N@H+]1CC=C(CNCc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000271850201 209266368 /nfs/dbraw/zinc/26/63/68/209266368.db2.gz SYJONWQLLBGXIZ-UHFFFAOYSA-N 1 3 308.809 2.463 20 0 DEADHO C[N@@H+]1CC=C(CNCc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000271850201 209266371 /nfs/dbraw/zinc/26/63/71/209266371.db2.gz SYJONWQLLBGXIZ-UHFFFAOYSA-N 1 3 308.809 2.463 20 0 DEADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000675176293 541296270 /nfs/dbraw/zinc/29/62/70/541296270.db2.gz FYUALPPOQAPKAP-HOTGVXAUSA-N 1 3 310.486 2.034 20 0 DEADHO CCCN1CC[C@H](NC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000619903237 363900144 /nfs/dbraw/zinc/90/01/44/363900144.db2.gz YNVGLLNVYPYFGG-DLBZAZTESA-N 1 3 303.450 2.280 20 0 DEADHO CCOc1cncc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000621336815 364358754 /nfs/dbraw/zinc/35/87/54/364358754.db2.gz AAJRERDNVDVTPI-IYBDPMFKSA-N 1 3 321.465 2.459 20 0 DEADHO CN(C)CCN(C(=O)CC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000621641992 364485411 /nfs/dbraw/zinc/48/54/11/364485411.db2.gz BDBAPNXRQHBJCE-MRXNPFEDSA-N 1 3 303.450 2.361 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)CCC(C)(F)F)CC2)CC1 ZINC000622792559 364797438 /nfs/dbraw/zinc/79/74/38/364797438.db2.gz LFVAEBCDVVWYPZ-UHFFFAOYSA-N 1 3 317.424 2.097 20 0 DEADHO CC[C@H](C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)N(C)C ZINC000675780753 541382448 /nfs/dbraw/zinc/38/24/48/541382448.db2.gz OKSTZCFBVJGDKH-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1cccc(CN(C)C)c1 ZINC000623054340 364869894 /nfs/dbraw/zinc/86/98/94/364869894.db2.gz KFASAMLPXUIFQW-XJKSGUPXSA-N 1 3 304.438 2.482 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000623073280 364876843 /nfs/dbraw/zinc/87/68/43/364876843.db2.gz SRRXWCADVHVSJP-YJBOKZPZSA-N 1 3 316.449 2.341 20 0 DEADHO CN(C)CCN(C)CCC[NH2+]Cc1cc2ccncc2s1 ZINC000623087399 364879576 /nfs/dbraw/zinc/87/95/76/364879576.db2.gz PIRJGKOTNWQEAG-UHFFFAOYSA-N 1 3 306.479 2.269 20 0 DEADHO CCCN1CCC([NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000675883066 541391178 /nfs/dbraw/zinc/39/11/78/541391178.db2.gz WAZCWUFEXAAOOP-GOSISDBHSA-N 1 3 309.498 2.094 20 0 DEADHO C[C@@H](NC(=O)N1C[C@@H](C)NC[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417997590 296071177 /nfs/dbraw/zinc/07/11/77/296071177.db2.gz SDQVBBKSDLQBDW-KLHDSHLOSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@@H](NC(=O)N1C[C@@H](C)NC[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000417997590 296071178 /nfs/dbraw/zinc/07/11/78/296071178.db2.gz SDQVBBKSDLQBDW-KLHDSHLOSA-N 1 3 322.497 2.031 20 0 DEADHO CC(C)COc1ccccc1CNCC1(O)CC[NH+](C)CC1 ZINC000449162924 240139637 /nfs/dbraw/zinc/13/96/37/240139637.db2.gz KRPJECBDYAEPDI-UHFFFAOYSA-N 1 3 306.450 2.268 20 0 DEADHO C[NH+](C)C1(CNC(=O)NC[C@H]2CCN2C2CCCCC2)CCC1 ZINC000623916079 365217699 /nfs/dbraw/zinc/21/76/99/365217699.db2.gz BWKPPACVHWXFPJ-MRXNPFEDSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(-n2cnnn2)cc1 ZINC000624121473 365296456 /nfs/dbraw/zinc/29/64/56/365296456.db2.gz XJQYGCMUYJMJMB-HUUCEWRRSA-N 1 3 314.437 2.045 20 0 DEADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000624123968 365298268 /nfs/dbraw/zinc/29/82/68/365298268.db2.gz VBNOTNQBAKLJCW-UONOGXRCSA-N 1 3 317.433 2.400 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000624338652 365386627 /nfs/dbraw/zinc/38/66/27/365386627.db2.gz ZODYXNPMXARRMT-ZBFHGGJFSA-N 1 3 322.497 2.175 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000624338652 365386633 /nfs/dbraw/zinc/38/66/33/365386633.db2.gz ZODYXNPMXARRMT-ZBFHGGJFSA-N 1 3 322.497 2.175 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000624338649 365387254 /nfs/dbraw/zinc/38/72/54/365387254.db2.gz ZODYXNPMXARRMT-GDBMZVCRSA-N 1 3 322.497 2.175 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000624338649 365387255 /nfs/dbraw/zinc/38/72/55/365387255.db2.gz ZODYXNPMXARRMT-GDBMZVCRSA-N 1 3 322.497 2.175 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000628746451 366949978 /nfs/dbraw/zinc/94/99/78/366949978.db2.gz CCEIIDDIHFWAKQ-INIZCTEOSA-N 1 3 303.450 2.210 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000628746451 366949991 /nfs/dbraw/zinc/94/99/91/366949991.db2.gz CCEIIDDIHFWAKQ-INIZCTEOSA-N 1 3 303.450 2.210 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCCC[N@H+](C)C1)N1CCCCC1 ZINC000628744295 366948271 /nfs/dbraw/zinc/94/82/71/366948271.db2.gz FFPXYHYDOWLVMJ-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+](C)C1)N1CCCCC1 ZINC000628744295 366948276 /nfs/dbraw/zinc/94/82/76/366948276.db2.gz FFPXYHYDOWLVMJ-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C[NH2+]C[C@@H](O)CN1CCCC1)Oc1cccc(C)c1 ZINC000629563547 367253518 /nfs/dbraw/zinc/25/35/18/367253518.db2.gz GEGAAWLFECKVCL-IAGOWNOFSA-N 1 3 306.450 2.199 20 0 DEADHO CC(C)(C)c1cccc(OCC[NH2+]C[C@H](O)CN2CCCC2)c1 ZINC000629569087 367256286 /nfs/dbraw/zinc/25/62/86/367256286.db2.gz WDGQHDMOZCKUSR-KRWDZBQOSA-N 1 3 320.477 2.409 20 0 DEADHO COCc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)o1 ZINC000629650599 367285299 /nfs/dbraw/zinc/28/52/99/367285299.db2.gz XTGHKRVAVDJCLA-KBRIMQKVSA-N 1 3 308.422 2.287 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)cc1 ZINC000678333470 541713682 /nfs/dbraw/zinc/71/36/82/541713682.db2.gz BLPKTLMJDLMXKO-FUHWJXTLSA-N 1 3 306.450 2.220 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+](C)C[C@@H]2CCC[C@H]2O)cc1 ZINC000678333470 541713685 /nfs/dbraw/zinc/71/36/85/541713685.db2.gz BLPKTLMJDLMXKO-FUHWJXTLSA-N 1 3 306.450 2.220 20 0 DEADHO [NH3+]Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000261546875 203075239 /nfs/dbraw/zinc/07/52/39/203075239.db2.gz LKXLBJUUNLNHQK-SFHVURJKSA-N 1 3 309.413 2.150 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])N(C)C)cc1 ZINC000261739164 203106024 /nfs/dbraw/zinc/10/60/24/203106024.db2.gz LQRMJFMQXGQKQW-KZNAEPCWSA-N 1 3 317.477 2.343 20 0 DEADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262337813 203266180 /nfs/dbraw/zinc/26/61/80/203266180.db2.gz GLNXAYIDRRWGPK-ZOBUZTSGSA-N 1 3 303.450 2.011 20 0 DEADHO C[C@H](C(=O)NC(C)(C)C[NH3+])N1CCC(Cc2ccccc2)CC1 ZINC000262504916 203311192 /nfs/dbraw/zinc/31/11/92/203311192.db2.gz JIYWKQXHRHJNGL-OAHLLOKOSA-N 1 3 317.477 2.183 20 0 DEADHO N[C@H](CC(=O)N(CCC[NH3+])Cc1ccccc1)c1ccccc1 ZINC000262477038 203304353 /nfs/dbraw/zinc/30/43/53/203304353.db2.gz QHPASHQSXBQMCK-GOSISDBHSA-N 1 3 311.429 2.454 20 0 DEADHO CN1CCC(Nc2ccccc2NC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000262629288 203356158 /nfs/dbraw/zinc/35/61/58/203356158.db2.gz DAEKRAIHNQOZDZ-KBPBESRZSA-N 1 3 316.449 2.259 20 0 DEADHO CCN(C(=O)[C@@H](C)N1CCC([C@H](C)[NH3+])CC1)c1ccccc1 ZINC000430931282 284195940 /nfs/dbraw/zinc/19/59/40/284195940.db2.gz WDOMJYJWAAIRDA-LSDHHAIUSA-N 1 3 303.450 2.487 20 0 DEADHO C[NH+](C)C/C=C/C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000265672160 204786800 /nfs/dbraw/zinc/78/68/00/204786800.db2.gz UAJZEGXVOPJRAM-RXNMKEHESA-N 1 3 315.461 2.275 20 0 DEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530219652 284376817 /nfs/dbraw/zinc/37/68/17/284376817.db2.gz MJIHNPKPQMXVIA-KBAYOESNSA-N 1 3 314.477 2.166 20 0 DEADHO c1[nH]nc2cc(CN3CCC(CO[C@H]4CC[NH2+]C4)CC3)ccc12 ZINC000530247640 284385038 /nfs/dbraw/zinc/38/50/38/284385038.db2.gz BKTDVBJMLYEAMV-KRWDZBQOSA-N 1 3 314.433 2.153 20 0 DEADHO CCn1nc(C)c(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1C ZINC000530249763 284385869 /nfs/dbraw/zinc/38/58/69/284385869.db2.gz YUGCVITWLSCDGZ-QGZVFWFLSA-N 1 3 320.481 2.110 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000267495584 206105857 /nfs/dbraw/zinc/10/58/57/206105857.db2.gz XBNAKYVINWPKFD-FUHWJXTLSA-N 1 3 317.477 2.355 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000267495584 206105862 /nfs/dbraw/zinc/10/58/62/206105862.db2.gz XBNAKYVINWPKFD-FUHWJXTLSA-N 1 3 317.477 2.355 20 0 DEADHO CCCN1CCC([NH2+][C@@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC000680875822 542059527 /nfs/dbraw/zinc/05/95/27/542059527.db2.gz IQHBEGQFNXWUMI-MRXNPFEDSA-N 1 3 307.482 2.384 20 0 DEADHO CN(C)C/C=C/C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000492222419 249019122 /nfs/dbraw/zinc/01/91/22/249019122.db2.gz OOFUGKCPZGWEBO-SOFGYWHQSA-N 1 3 307.482 2.219 20 0 DEADHO C[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)C1CCSCC1 ZINC000681738832 542198218 /nfs/dbraw/zinc/19/82/18/542198218.db2.gz OHFISQWCKHVJOG-GOEBONIOSA-N 1 3 311.539 2.276 20 0 DEADHO CCC[C@@H]1C[C@@H]1C(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000360156854 535450986 /nfs/dbraw/zinc/45/09/86/535450986.db2.gz RILZJHYOFCENGM-ZACQAIPSSA-N 1 3 309.498 2.297 20 0 DEADHO CCC[C@@H]1C[C@@H]1C(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000360156854 535450991 /nfs/dbraw/zinc/45/09/91/535450991.db2.gz RILZJHYOFCENGM-ZACQAIPSSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000309820119 291692367 /nfs/dbraw/zinc/69/23/67/291692367.db2.gz ZFQRYRVZFMCKPW-CRAIPNDOSA-N 1 3 315.461 2.107 20 0 DEADHO CCN1CCC(NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000552904992 291728518 /nfs/dbraw/zinc/72/85/18/291728518.db2.gz HATOHGUGVFDLQE-UHFFFAOYSA-N 1 3 303.450 2.005 20 0 DEADHO COCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000268962984 207126410 /nfs/dbraw/zinc/12/64/10/207126410.db2.gz YAYYLHBLYHCKSS-QAPCUYQASA-N 1 3 324.465 2.065 20 0 DEADHO COC[C@@H](Cc1ccccc1)[NH2+]CC1(O)CCN(C(C)C)CC1 ZINC000268993383 207149895 /nfs/dbraw/zinc/14/98/95/207149895.db2.gz GWSPEQMXFOYIAE-GOSISDBHSA-N 1 3 320.477 2.069 20 0 DEADHO C[C@H](NCCCC[NH+](C)C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000269059441 207208479 /nfs/dbraw/zinc/20/84/79/207208479.db2.gz XLLIWFDNVWQBFJ-LBPRGKRZSA-N 1 3 316.442 2.222 20 0 DEADHO Oc1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000682404699 542293765 /nfs/dbraw/zinc/29/37/65/542293765.db2.gz ILQUEIXSRAJLQK-UHFFFAOYSA-N 1 3 304.434 2.469 20 0 DEADHO C[NH2+][C@@H]1CCN(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)C1 ZINC000417707001 532958214 /nfs/dbraw/zinc/95/82/14/532958214.db2.gz PTWLWBJXHVWHDT-GDBMZVCRSA-N 1 3 318.465 2.119 20 0 DEADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC1(C(=O)N(C)C)CCCC1 ZINC000422738033 532992843 /nfs/dbraw/zinc/99/28/43/532992843.db2.gz YHNSPBONRGRNAV-WBVHZDCISA-N 1 3 317.477 2.183 20 0 DEADHO CC[C@@H]([NH2+]Cc1ccnc(OCCN(C)C)c1)C1CCOCC1 ZINC000539047688 285067917 /nfs/dbraw/zinc/06/79/17/285067917.db2.gz QPTBPBXNECNHSI-QGZVFWFLSA-N 1 3 321.465 2.317 20 0 DEADHO CC[N@@H+](Cc1ccccc1N(C)C1CCN(C)CC1)C[C@@H](C)O ZINC000348714014 285118466 /nfs/dbraw/zinc/11/84/66/285118466.db2.gz MFDKQUNGUBLGAV-MRXNPFEDSA-N 1 3 319.493 2.420 20 0 DEADHO CC[N@H+](Cc1ccccc1N(C)C1CCN(C)CC1)C[C@@H](C)O ZINC000348714014 285118467 /nfs/dbraw/zinc/11/84/67/285118467.db2.gz MFDKQUNGUBLGAV-MRXNPFEDSA-N 1 3 319.493 2.420 20 0 DEADHO CSc1nnc(CCC[NH2+][C@@H](C)C[C@H](C)N)n1CC(C)C ZINC000422725769 533084709 /nfs/dbraw/zinc/08/47/09/533084709.db2.gz CEUWWZOLJBRMSP-STQMWFEESA-N 1 3 313.515 2.304 20 0 DEADHO CSc1nnc(CCCN[C@@H](C)C[C@H](C)[NH3+])n1CC(C)C ZINC000422725769 533084712 /nfs/dbraw/zinc/08/47/12/533084712.db2.gz CEUWWZOLJBRMSP-STQMWFEESA-N 1 3 313.515 2.304 20 0 DEADHO COc1ccc([C@@H](NCCOCC[NH+](C)C)C2CC2)c(F)c1 ZINC000421843969 533132077 /nfs/dbraw/zinc/13/20/77/533132077.db2.gz SCCUGOLDPYMHFD-KRWDZBQOSA-N 1 3 310.413 2.453 20 0 DEADHO COc1cc2nccc(N[C@H](C)CC[NH+](C)C)c2cc1OC ZINC000413093157 533146881 /nfs/dbraw/zinc/14/68/81/533146881.db2.gz HVNSYVPOYYBDFI-GFCCVEGCSA-N 1 3 303.406 2.426 20 0 DEADHO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC000354812589 285229431 /nfs/dbraw/zinc/22/94/31/285229431.db2.gz GGXKVQNEHAIYSK-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC000354812589 285229432 /nfs/dbraw/zinc/22/94/32/285229432.db2.gz GGXKVQNEHAIYSK-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO COC[C@@H](NCc1ccncc1OCC[NH+](C)C)C1CCCC1 ZINC000344002424 285238975 /nfs/dbraw/zinc/23/89/75/285238975.db2.gz XOOGXRBCGGEZIH-QGZVFWFLSA-N 1 3 321.465 2.317 20 0 DEADHO COc1ccc([C@H](CN[C@H](C)C[C@H](C)[NH3+])N(C)C)cc1OC ZINC000422984415 533183122 /nfs/dbraw/zinc/18/31/22/533183122.db2.gz AUZGMUJSYBBZCC-GUTXKFCHSA-N 1 3 309.454 2.022 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CC[C@H](C)C1 ZINC000345622002 285246836 /nfs/dbraw/zinc/24/68/36/285246836.db2.gz OFMQQYANKOEBQG-GVDBMIGSSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CC[C@H](C)C1 ZINC000345622002 285246838 /nfs/dbraw/zinc/24/68/38/285246838.db2.gz OFMQQYANKOEBQG-GVDBMIGSSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@@]1(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CCC[NH2+]C1 ZINC000294736298 224201076 /nfs/dbraw/zinc/20/10/76/224201076.db2.gz DQKDOIDQFNKGEP-PKOBYXMFSA-N 1 3 311.429 2.346 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)C1CCC1 ZINC000457541833 285246287 /nfs/dbraw/zinc/24/62/87/285246287.db2.gz UCKDEUBFCMKOKI-DOTOQJQBSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)C1CCC1 ZINC000457541833 285246289 /nfs/dbraw/zinc/24/62/89/285246289.db2.gz UCKDEUBFCMKOKI-DOTOQJQBSA-N 1 3 309.498 2.297 20 0 DEADHO O=C(NCCC[NH+]1CCCC1)C1CCN(Cc2ccco2)CC1 ZINC000289921745 221318926 /nfs/dbraw/zinc/31/89/26/221318926.db2.gz VVZQRYHXXDZTAS-UHFFFAOYSA-N 1 3 319.449 2.094 20 0 DEADHO C[C@@H](CC(=O)N1CCN(C2CCCCC2)CC1)C1CC[NH2+]CC1 ZINC000423713240 533417713 /nfs/dbraw/zinc/41/77/13/533417713.db2.gz PXFYKKBMIOSWPY-INIZCTEOSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H](CC[NH3+])NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000418525417 533574844 /nfs/dbraw/zinc/57/48/44/533574844.db2.gz MIJWMNQOEOTRAM-JKSUJKDBSA-N 1 3 318.465 2.030 20 0 DEADHO COc1cc(C)c([C@@H](C)NCCOCC[NH+](C)C)cc1OC ZINC000447602907 533608688 /nfs/dbraw/zinc/60/86/88/533608688.db2.gz WDWMTMAFTITVEG-CQSZACIVSA-N 1 3 310.438 2.241 20 0 DEADHO C[C@H](NC(=O)NC1CCC([NH3+])CC1)[C@H](c1ccccc1)N(C)C ZINC000418191352 533623384 /nfs/dbraw/zinc/62/33/84/533623384.db2.gz XIFHRDLWCSGYBY-YJNKEBTESA-N 1 3 318.465 2.247 20 0 DEADHO N[C@@H]1CCCCC[C@@H]1[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000562958598 292019561 /nfs/dbraw/zinc/01/95/61/292019561.db2.gz BBSPPOATSFEMFH-MSOLQXFVSA-N 1 3 302.466 2.296 20 0 DEADHO [NH3+][C@@H]1CCCCC[C@@H]1NC1CCN(Cc2ccccn2)CC1 ZINC000562958598 292019562 /nfs/dbraw/zinc/01/95/62/292019562.db2.gz BBSPPOATSFEMFH-MSOLQXFVSA-N 1 3 302.466 2.296 20 0 DEADHO c1ccc(CN2CCC(N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)nc1 ZINC000359945589 133154248 /nfs/dbraw/zinc/15/42/48/133154248.db2.gz XVPMZMQESNKLDP-OALUTQOASA-N 1 3 314.477 2.262 20 0 DEADHO c1ccc(CN2CCC(N[C@H]3CC[N@H+]4CCCC[C@@H]34)CC2)nc1 ZINC000359945589 133154249 /nfs/dbraw/zinc/15/42/49/133154249.db2.gz XVPMZMQESNKLDP-OALUTQOASA-N 1 3 314.477 2.262 20 0 DEADHO N[C@H]1CCCCC[C@H]1[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000562958601 292019628 /nfs/dbraw/zinc/01/96/28/292019628.db2.gz BBSPPOATSFEMFH-ZWKOTPCHSA-N 1 3 302.466 2.296 20 0 DEADHO [NH3+][C@H]1CCCCC[C@H]1NC1CCN(Cc2ccccn2)CC1 ZINC000562958601 292019629 /nfs/dbraw/zinc/01/96/29/292019629.db2.gz BBSPPOATSFEMFH-ZWKOTPCHSA-N 1 3 302.466 2.296 20 0 DEADHO CS[C@@H]1CN(CCCCn2ccnc2C)C[C@@H]1[NH+]1CCCC1 ZINC000362031008 133206539 /nfs/dbraw/zinc/20/65/39/133206539.db2.gz YLGOCKKAKHWJAJ-DLBZAZTESA-N 1 3 322.522 2.483 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](CNC[C@@H](O)COCc2ccccc2)C1 ZINC000562988918 292022136 /nfs/dbraw/zinc/02/21/36/292022136.db2.gz DDFCKSMGDPKXCA-RTBURBONSA-N 1 3 320.477 2.132 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](CNC[C@@H](O)COCc2ccccc2)C1 ZINC000562988918 292022137 /nfs/dbraw/zinc/02/21/37/292022137.db2.gz DDFCKSMGDPKXCA-RTBURBONSA-N 1 3 320.477 2.132 20 0 DEADHO C[C@@H](CNC(=O)CC[NH+](C)C)N(C)[C@@H](C)c1cccc(F)c1 ZINC001422569404 1172717461 /nfs/dbraw/zinc/71/74/61/1172717461.db2.gz UGAAQPNTNJTWPV-KBPBESRZSA-N 1 3 309.429 2.275 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCC(CC[NH3+])CC1 ZINC000563267041 292043034 /nfs/dbraw/zinc/04/30/34/292043034.db2.gz APIJILVDJIPGEI-QGZVFWFLSA-N 1 3 318.465 2.019 20 0 DEADHO O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@@H](N2CCCC2)C1 ZINC000372968131 304319362 /nfs/dbraw/zinc/31/93/62/304319362.db2.gz XVTGYAJWBXMLAL-MSOLQXFVSA-N 1 3 319.493 2.480 20 0 DEADHO O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CC[C@@H](N2CCCC2)C1 ZINC000372968131 304319365 /nfs/dbraw/zinc/31/93/65/304319365.db2.gz XVTGYAJWBXMLAL-MSOLQXFVSA-N 1 3 319.493 2.480 20 0 DEADHO CN1CCN(CCCC[NH2+]Cc2ccnn2C2CCCC2)CC1 ZINC000564288266 292090339 /nfs/dbraw/zinc/09/03/39/292090339.db2.gz RVEHJKNSDQUEEM-UHFFFAOYSA-N 1 3 319.497 2.115 20 0 DEADHO O[C@H]1CCCC[C@@H]1N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000564825860 292113501 /nfs/dbraw/zinc/11/35/01/292113501.db2.gz NGISJYBIAHZCEV-NBOOPKSLSA-N 1 3 302.418 2.135 20 0 DEADHO C[C@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)N1CCCC1 ZINC000549037128 285825275 /nfs/dbraw/zinc/82/52/75/285825275.db2.gz GGBWVJIKQVYFIU-MRXNPFEDSA-N 1 3 315.461 2.497 20 0 DEADHO CCOC[C@@H]1CCN(CC(C)C[N@@H+]2CC[C@@H](COCC)C2)C1 ZINC000246145029 145093887 /nfs/dbraw/zinc/09/38/87/145093887.db2.gz GSZHNLNXQJAZHA-QZTJIDSGSA-N 1 3 312.498 2.339 20 0 DEADHO CCOC[C@@H]1CCN(CC(C)C[N@H+]2CC[C@@H](COCC)C2)C1 ZINC000246145029 145093889 /nfs/dbraw/zinc/09/38/89/145093889.db2.gz GSZHNLNXQJAZHA-QZTJIDSGSA-N 1 3 312.498 2.339 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)COCc2ccccc2)[C@@H](C)C1 ZINC000246506888 145104598 /nfs/dbraw/zinc/10/45/98/145104598.db2.gz IAHKKXHDENWOOU-UHOSZYNNSA-N 1 3 320.477 2.226 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)COCc2ccccc2)[C@@H](C)C1 ZINC000246506888 145104599 /nfs/dbraw/zinc/10/45/99/145104599.db2.gz IAHKKXHDENWOOU-UHOSZYNNSA-N 1 3 320.477 2.226 20 0 DEADHO Cc1ccc(N2CCC[C@H](N[C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)C2)nn1 ZINC000358127400 292133861 /nfs/dbraw/zinc/13/38/61/292133861.db2.gz JTXCEENGDBGHKR-BSWAZPDLSA-N 1 3 317.481 2.072 20 0 DEADHO Cc1ccc(N2CCC[C@H](N[C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)C2)nn1 ZINC000358127400 292133863 /nfs/dbraw/zinc/13/38/63/292133863.db2.gz JTXCEENGDBGHKR-BSWAZPDLSA-N 1 3 317.481 2.072 20 0 DEADHO Cc1ccc(N2CCC[C@H](N[C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)C2)nn1 ZINC000358127406 292133896 /nfs/dbraw/zinc/13/38/96/292133896.db2.gz JTXCEENGDBGHKR-PQEBFOHHSA-N 1 3 317.481 2.072 20 0 DEADHO Cc1ccc(N2CCC[C@H](N[C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)C2)nn1 ZINC000358127406 292133898 /nfs/dbraw/zinc/13/38/98/292133898.db2.gz JTXCEENGDBGHKR-PQEBFOHHSA-N 1 3 317.481 2.072 20 0 DEADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000261553197 145207206 /nfs/dbraw/zinc/20/72/06/145207206.db2.gz SHTOWLKMRGYJBP-DOTOQJQBSA-N 1 3 315.461 2.013 20 0 DEADHO FC(F)(F)CN1CC[C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000262290736 145273445 /nfs/dbraw/zinc/27/34/45/145273445.db2.gz NEBRUJWQAQIDLL-APIJFGDWSA-N 1 3 319.415 2.381 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262318440 145275640 /nfs/dbraw/zinc/27/56/40/145275640.db2.gz PZSFNGVOUMPGLU-BKYIEACKSA-N 1 3 307.482 2.131 20 0 DEADHO NCc1cc(NC(=O)[C@@H]2CCC[NH2+]C2)cc(C(F)(F)F)c1 ZINC000263063383 145322183 /nfs/dbraw/zinc/32/21/83/145322183.db2.gz YMHAJFZZLCSNKV-SNVBAGLBSA-N 1 3 301.312 2.102 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000346276261 146052658 /nfs/dbraw/zinc/05/26/58/146052658.db2.gz HLVHTPTWSXGVQM-KGLIPLIRSA-N 1 3 309.479 2.156 20 0 DEADHO O=C(CC[NH2+]C1CC1)NC[C@H](c1cccs1)N1CCCC1 ZINC000565218763 292147978 /nfs/dbraw/zinc/14/79/78/292147978.db2.gz SJVLQAMKGJCGLV-CQSZACIVSA-N 1 3 307.463 2.143 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]CCCN2CCCC2)[C@H](C)C1 ZINC000346574338 146104084 /nfs/dbraw/zinc/10/40/84/146104084.db2.gz SXMNZOAOYDMTMU-QZTJIDSGSA-N 1 3 311.514 2.199 20 0 DEADHO c1[nH]nc(-c2cccnc2)c1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347024965 146182184 /nfs/dbraw/zinc/18/21/84/146182184.db2.gz RRENXDBSPWHUNF-KRWDZBQOSA-N 1 3 311.433 2.436 20 0 DEADHO CC(C)[NH2+]CC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000565250628 292150604 /nfs/dbraw/zinc/15/06/04/292150604.db2.gz SRODAFDBMYKSGY-XJKSGUPXSA-N 1 3 309.479 2.245 20 0 DEADHO c1ccc(CN2C[C@@H]3C[N@H+](CCOCC4CC4)C[C@@H]3C2)cc1 ZINC000348306867 146252967 /nfs/dbraw/zinc/25/29/67/146252967.db2.gz MTKLIKRTFBPSTR-KDURUIRLSA-N 1 3 300.446 2.477 20 0 DEADHO c1ccc(CN2C[C@@H]3C[N@@H+](CCOCC4CC4)C[C@@H]3C2)cc1 ZINC000348306867 146252969 /nfs/dbraw/zinc/25/29/69/146252969.db2.gz MTKLIKRTFBPSTR-KDURUIRLSA-N 1 3 300.446 2.477 20 0 DEADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000349665743 146395168 /nfs/dbraw/zinc/39/51/68/146395168.db2.gz JHJPLXXEVRGCKC-HZPDHXFCSA-N 1 3 312.502 2.233 20 0 DEADHO [NH3+]CCOCCNC1(c2cccc(Br)c2)CCC1 ZINC000357111255 147042928 /nfs/dbraw/zinc/04/29/28/147042928.db2.gz ZYIWOGOTZALLMP-UHFFFAOYSA-N 1 3 313.239 2.393 20 0 DEADHO [NH3+]CCCN(CC1CCCC1)C(=O)c1ccc2c(c1)CNC2 ZINC000357357258 147093615 /nfs/dbraw/zinc/09/36/15/147093615.db2.gz SPIHVDLMDYRFKX-UHFFFAOYSA-N 1 3 301.434 2.271 20 0 DEADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCOc1cccc(C(F)(F)F)n1 ZINC000358381956 147123278 /nfs/dbraw/zinc/12/32/78/147123278.db2.gz ZMELZLLTJJHLMX-NWDGAFQWSA-N 1 3 317.355 2.409 20 0 DEADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCOc1cccc(C(F)(F)F)n1 ZINC000358381956 147123280 /nfs/dbraw/zinc/12/32/80/147123280.db2.gz ZMELZLLTJJHLMX-NWDGAFQWSA-N 1 3 317.355 2.409 20 0 DEADHO C[C@@H](CNC(=O)[C@H](CN)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000358863961 147220699 /nfs/dbraw/zinc/22/06/99/147220699.db2.gz WVJAKYJYMUODOA-JKIFEVAISA-N 1 3 321.440 2.105 20 0 DEADHO C[C@@H](CNC(=O)[C@H](CN)c1ccc(F)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000358863961 147220701 /nfs/dbraw/zinc/22/07/01/147220701.db2.gz WVJAKYJYMUODOA-JKIFEVAISA-N 1 3 321.440 2.105 20 0 DEADHO Fc1ccc(F)c(N2CCN(CCC3CC[NH2+]CC3)CC2)c1 ZINC000359215123 147283164 /nfs/dbraw/zinc/28/31/64/147283164.db2.gz QHPUKDORLDVNEX-UHFFFAOYSA-N 1 3 309.404 2.477 20 0 DEADHO C[C@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)C1CCOCC1 ZINC000359242513 147289617 /nfs/dbraw/zinc/28/96/17/147289617.db2.gz QBLMJRNNUYDRNO-KXBFYZLASA-N 1 3 318.461 2.158 20 0 DEADHO C[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)N1CCCC[C@H]1C ZINC000360772682 147381153 /nfs/dbraw/zinc/38/11/53/147381153.db2.gz NMKUEIGLKSSZAU-IKGGRYGDSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)N1CCCC[C@H]1C ZINC000360772682 147381155 /nfs/dbraw/zinc/38/11/55/147381155.db2.gz NMKUEIGLKSSZAU-IKGGRYGDSA-N 1 3 324.513 2.233 20 0 DEADHO CC[NH+]1CCC(CNC(=O)c2ccc(OC(C)C)cn2)CC1 ZINC000565633145 292174075 /nfs/dbraw/zinc/17/40/75/292174075.db2.gz YNXXLJBCOUWJPY-UHFFFAOYSA-N 1 3 305.422 2.331 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cc(N(C)C)nc2ccccc21 ZINC000565660381 292175555 /nfs/dbraw/zinc/17/55/55/292175555.db2.gz OGAQYDOMLDDRLM-NWDGAFQWSA-N 1 3 300.406 2.156 20 0 DEADHO COc1ccc(C[NH2+]CCC(=O)Nc2cccnc2)c(F)c1 ZINC000565652231 292175127 /nfs/dbraw/zinc/17/51/27/292175127.db2.gz BUWLJTOGWWHFLL-UHFFFAOYSA-N 1 3 303.337 2.348 20 0 DEADHO C[N@@H+]1CCC[C@@H](CCNC(=O)NCc2noc3c2CCCC3)C1 ZINC000565701222 292176617 /nfs/dbraw/zinc/17/66/17/292176617.db2.gz AWMQPEBFMOYRPX-ZDUSSCGKSA-N 1 3 320.437 2.085 20 0 DEADHO C[N@H+]1CCC[C@@H](CCNC(=O)NCc2noc3c2CCCC3)C1 ZINC000565701222 292176618 /nfs/dbraw/zinc/17/66/18/292176618.db2.gz AWMQPEBFMOYRPX-ZDUSSCGKSA-N 1 3 320.437 2.085 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000074301524 401734997 /nfs/dbraw/zinc/73/49/97/401734997.db2.gz VGXIXNYKEFJLNI-CABCVRRESA-N 1 3 312.502 2.136 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(OC)nc2)[C@H](C)C1 ZINC000126395744 401692707 /nfs/dbraw/zinc/69/27/07/401692707.db2.gz XLDZVXKAYBDWBC-WBVHZDCISA-N 1 3 321.465 2.317 20 0 DEADHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000072860054 401713887 /nfs/dbraw/zinc/71/38/87/401713887.db2.gz XBIQAJFCCOQDRJ-QGZVFWFLSA-N 1 3 309.498 2.347 20 0 DEADHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000072860054 401713890 /nfs/dbraw/zinc/71/38/90/401713890.db2.gz XBIQAJFCCOQDRJ-QGZVFWFLSA-N 1 3 309.498 2.347 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000126938480 401714380 /nfs/dbraw/zinc/71/43/80/401714380.db2.gz LPJUPMNNFCLCIN-ZBFHGGJFSA-N 1 3 322.497 2.033 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NCC[NH+](C(C)C)C(C)C ZINC000111511130 401717245 /nfs/dbraw/zinc/71/72/45/401717245.db2.gz MUZMDPPNSILFKE-INIZCTEOSA-N 1 3 312.502 2.279 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC000076198388 401786522 /nfs/dbraw/zinc/78/65/22/401786522.db2.gz MXRONOJZZZLRLR-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)C[C@@H]1CC[NH2+]C1)c1ccsc1 ZINC000130421046 401831401 /nfs/dbraw/zinc/83/14/01/401831401.db2.gz KYQFCSYQIZUCBS-ZFWWWQNUSA-N 1 3 309.479 2.247 20 0 DEADHO CCC(CC)[C@@H](CNC(=O)NC1CCN(C)CC1)[NH+]1CCCC1 ZINC000079205233 401871340 /nfs/dbraw/zinc/87/13/40/401871340.db2.gz OXJQKSKUHAQTFN-QGZVFWFLSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000116065126 401841324 /nfs/dbraw/zinc/84/13/24/401841324.db2.gz YYZMZIPYLFRLIT-WMLDXEAASA-N 1 3 301.434 2.080 20 0 DEADHO CN(CCN1CCCC1)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000116567482 401854968 /nfs/dbraw/zinc/85/49/68/401854968.db2.gz PLUKENQAZIZJNF-OAHLLOKOSA-N 1 3 312.502 2.090 20 0 DEADHO [NH3+]CCCCC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000566169679 292213648 /nfs/dbraw/zinc/21/36/48/292213648.db2.gz OYOFTCBNHJUAHK-CQSZACIVSA-N 1 3 309.479 2.205 20 0 DEADHO Cc1cccc([C@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000121401859 402033670 /nfs/dbraw/zinc/03/36/70/402033670.db2.gz OGFCPEHUUAZUIM-INIZCTEOSA-N 1 3 305.466 2.050 20 0 DEADHO C[NH+](C)CCCC1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000123385304 402125234 /nfs/dbraw/zinc/12/52/34/402125234.db2.gz QIVCIYIGIMHMMY-GOSISDBHSA-N 1 3 320.477 2.480 20 0 DEADHO C[NH+](C)CCCC1CCN(Cc2cccc(C(N)=O)c2)CC1 ZINC000123466146 402129228 /nfs/dbraw/zinc/12/92/28/402129228.db2.gz WTCPZQZKLYCYAN-UHFFFAOYSA-N 1 3 303.450 2.339 20 0 DEADHO CN(CCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000066923862 402146831 /nfs/dbraw/zinc/14/68/31/402146831.db2.gz NFPLTOIFAUSZCC-KRWDZBQOSA-N 1 3 315.461 2.109 20 0 DEADHO CN(CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000066923862 402146832 /nfs/dbraw/zinc/14/68/32/402146832.db2.gz NFPLTOIFAUSZCC-KRWDZBQOSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@H](CNC(=O)NC1CCN(C2CC2)CC1)[NH+]1CCC(C)CC1 ZINC000067705954 402169111 /nfs/dbraw/zinc/16/91/11/402169111.db2.gz MDRLHGFYKVISLH-OAHLLOKOSA-N 1 3 322.497 2.033 20 0 DEADHO COCC[N@H+](C)CCCN[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000153770264 402169341 /nfs/dbraw/zinc/16/93/41/402169341.db2.gz QZNIBWHNPMITSQ-INIZCTEOSA-N 1 3 316.449 2.491 20 0 DEADHO COCC[N@@H+](C)CCCN[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000153770264 402169342 /nfs/dbraw/zinc/16/93/42/402169342.db2.gz QZNIBWHNPMITSQ-INIZCTEOSA-N 1 3 316.449 2.491 20 0 DEADHO C[NH2+]C[C@@H](C)C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000566294766 292226411 /nfs/dbraw/zinc/22/64/11/292226411.db2.gz JVUODLMDIYVNDB-OAHLLOKOSA-N 1 3 318.465 2.002 20 0 DEADHO CN1CCC[C@H]1C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000154545901 402217479 /nfs/dbraw/zinc/21/74/79/402217479.db2.gz SPZLLCBGXFPTDE-IBGZPJMESA-N 1 3 301.478 2.377 20 0 DEADHO CC(C)[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(C)C ZINC000106905447 402220964 /nfs/dbraw/zinc/22/09/64/402220964.db2.gz AYLKMHAREAAYLB-SFHVURJKSA-N 1 3 317.477 2.485 20 0 DEADHO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cccc(CN4CCCC4)c3)C[C@@H]12 ZINC000185060012 402321364 /nfs/dbraw/zinc/32/13/64/402321364.db2.gz IKSIPACQMHCERK-RCCFBDPRSA-N 1 3 313.445 2.092 20 0 DEADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)CC(C)(C)[NH3+] ZINC000236903138 402387532 /nfs/dbraw/zinc/38/75/32/402387532.db2.gz UYJXZSAAKWRXQH-KRWDZBQOSA-N 1 3 317.477 2.484 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000236897338 402387616 /nfs/dbraw/zinc/38/76/16/402387616.db2.gz QJJNMAOQHMQATL-ZACQAIPSSA-N 1 3 309.498 2.330 20 0 DEADHO CC(C)C[C@H](CNC(=O)[C@@H](C)[C@@H](N)c1ccccc1)[NH+](C)C ZINC000236630813 402369669 /nfs/dbraw/zinc/36/96/69/402369669.db2.gz RLQMJCNALVTMAS-USXIJHARSA-N 1 3 305.466 2.415 20 0 DEADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCCN2)c1 ZINC000236664535 402372140 /nfs/dbraw/zinc/37/21/40/402372140.db2.gz RPNGMLIKYKCBRN-QGZVFWFLSA-N 1 3 303.450 2.285 20 0 DEADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCCN2)c1 ZINC000236664535 402372143 /nfs/dbraw/zinc/37/21/43/402372143.db2.gz RPNGMLIKYKCBRN-QGZVFWFLSA-N 1 3 303.450 2.285 20 0 DEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H](N)CC(C)C)CC1 ZINC000236674066 402373312 /nfs/dbraw/zinc/37/33/12/402373312.db2.gz ZFUHWXYWPQTUBP-SFHVURJKSA-N 1 3 317.477 2.449 20 0 DEADHO CCC(CC)(C[NH3+])C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000236683648 402373805 /nfs/dbraw/zinc/37/38/05/402373805.db2.gz NBUXGWYHOSIYBM-UHFFFAOYSA-N 1 3 321.465 2.008 20 0 DEADHO CC1CCN([C@H](CNC(=O)CCC[NH3+])c2cccs2)CC1 ZINC000236726461 402378423 /nfs/dbraw/zinc/37/84/23/402378423.db2.gz XTKBSNWUWCIIPJ-CQSZACIVSA-N 1 3 309.479 2.376 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)CC1 ZINC000185197823 402333579 /nfs/dbraw/zinc/33/35/79/402333579.db2.gz BFHNTEFFLUNKSG-IRXDYDNUSA-N 1 3 311.514 2.196 20 0 DEADHO CN(CCOc1ccccc1F)CCN(C)C1CC[NH+](C)CC1 ZINC000177385148 402396710 /nfs/dbraw/zinc/39/67/10/402396710.db2.gz CYHWEVWYXKFCQA-UHFFFAOYSA-N 1 3 323.456 2.162 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@]2(C)CCC[NH2+]C2)N(C)C)cc1 ZINC000237150574 402396728 /nfs/dbraw/zinc/39/67/28/402396728.db2.gz KMXDOKQGXXYRHH-FUHWJXTLSA-N 1 3 303.450 2.104 20 0 DEADHO C[C@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H](C)CN1 ZINC000237571920 402413136 /nfs/dbraw/zinc/41/31/36/402413136.db2.gz FJQNJDFAHLUNOW-GJZGRUSLSA-N 1 3 301.434 2.105 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)C2(N)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000237586799 402413749 /nfs/dbraw/zinc/41/37/49/402413749.db2.gz MFNLPZWMTLOICP-NVXWUHKLSA-N 1 3 315.461 2.427 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)C2(N)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000237586799 402413752 /nfs/dbraw/zinc/41/37/52/402413752.db2.gz MFNLPZWMTLOICP-NVXWUHKLSA-N 1 3 315.461 2.427 20 0 DEADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)C1CC[NH2+]CC1 ZINC000237974522 402429585 /nfs/dbraw/zinc/42/95/85/402429585.db2.gz JKLDHYZNUYAIOE-AWEZNQCLSA-N 1 3 307.463 2.001 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)N(C)C ZINC000162832461 402433226 /nfs/dbraw/zinc/43/32/26/402433226.db2.gz TYVFAGQFJZFJKG-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCCOC2)CC1 ZINC000236989472 402390732 /nfs/dbraw/zinc/39/07/32/402390732.db2.gz SCVMMRZYWXHMLD-QGZVFWFLSA-N 1 3 317.477 2.345 20 0 DEADHO CCN(C(=O)[C@@H]1CC[NH2+]C1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000237047576 402393047 /nfs/dbraw/zinc/39/30/47/402393047.db2.gz SSTNNHKYPJMOCI-JQHSSLGASA-N 1 3 315.461 2.280 20 0 DEADHO [NH3+][C@H]1CC[C@H](C(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000163888765 402459211 /nfs/dbraw/zinc/45/92/11/402459211.db2.gz LRTGXOGTWVVQQW-YJBOKZPZSA-N 1 3 315.461 2.416 20 0 DEADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000245559741 402471015 /nfs/dbraw/zinc/47/10/15/402471015.db2.gz BPCVTGQRTPDXOL-CVEARBPZSA-N 1 3 313.449 2.393 20 0 DEADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000245559741 402471017 /nfs/dbraw/zinc/47/10/17/402471017.db2.gz BPCVTGQRTPDXOL-CVEARBPZSA-N 1 3 313.449 2.393 20 0 DEADHO C[C@H](C[NH2+]C1CCN(Cc2cccnc2)CC1)CN1CCCC1 ZINC000165337884 402475606 /nfs/dbraw/zinc/47/56/06/402475606.db2.gz KJFNWKRJFXOUOS-QGZVFWFLSA-N 1 3 316.493 2.368 20 0 DEADHO CC(C)[C@H](N)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000165914620 402479721 /nfs/dbraw/zinc/47/97/21/402479721.db2.gz SAOPCZFNKHFZLI-AWEZNQCLSA-N 1 3 313.829 2.202 20 0 DEADHO O=C(NC[C@H]1CCCN(Cc2cccs2)C1)[C@@H]1CCC[NH2+]C1 ZINC000166201004 402482025 /nfs/dbraw/zinc/48/20/25/402482025.db2.gz TXKAUEMRUKRUIW-HUUCEWRRSA-N 1 3 321.490 2.076 20 0 DEADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)[C@@H]1CCC[NH2+]C1 ZINC000166201145 402482120 /nfs/dbraw/zinc/48/21/20/402482120.db2.gz TXKAUEMRUKRUIW-LSDHHAIUSA-N 1 3 321.490 2.076 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000166321953 402483845 /nfs/dbraw/zinc/48/38/45/402483845.db2.gz VFOVVQWUYQGWPF-MSOLQXFVSA-N 1 3 315.461 2.248 20 0 DEADHO C[NH+](C)CCCOc1cccc(NC(=O)[C@@H]2CCCCN2)c1 ZINC000168766083 402498667 /nfs/dbraw/zinc/49/86/67/402498667.db2.gz UNDWMMIMFFZLGZ-INIZCTEOSA-N 1 3 305.422 2.098 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CN1Cc1ccccc1 ZINC000178831384 402544346 /nfs/dbraw/zinc/54/43/46/402544346.db2.gz JHXVMGJPGKAEQX-NRSFXHEJSA-N 1 3 315.461 2.283 20 0 DEADHO C[C@@H](CCNC(=O)[C@@H](N)C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC000178857740 402547201 /nfs/dbraw/zinc/54/72/01/402547201.db2.gz IOPUBPXRBFHXKP-GOEBONIOSA-N 1 3 305.466 2.387 20 0 DEADHO C[C@@H](CCNC(=O)[C@@H](N)C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC000178857740 402547203 /nfs/dbraw/zinc/54/72/03/402547203.db2.gz IOPUBPXRBFHXKP-GOEBONIOSA-N 1 3 305.466 2.387 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000247012322 402553767 /nfs/dbraw/zinc/55/37/67/402553767.db2.gz LJXRPXGAUMTSEB-ARFHVFGLSA-N 1 3 310.486 2.033 20 0 DEADHO CCC[N@@H+]1CC[C@H](CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247550890 402571818 /nfs/dbraw/zinc/57/18/18/402571818.db2.gz QWQRNQAGWXLPEB-CABCVRRESA-N 1 3 311.470 2.317 20 0 DEADHO CCC[N@H+]1CC[C@H](CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247550890 402571820 /nfs/dbraw/zinc/57/18/20/402571820.db2.gz QWQRNQAGWXLPEB-CABCVRRESA-N 1 3 311.470 2.317 20 0 DEADHO CCCN1CC[C@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247550890 402571824 /nfs/dbraw/zinc/57/18/24/402571824.db2.gz QWQRNQAGWXLPEB-CABCVRRESA-N 1 3 311.470 2.317 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000246187517 402516472 /nfs/dbraw/zinc/51/64/72/402516472.db2.gz MFPYQUAHWVTNIL-IAGOWNOFSA-N 1 3 324.513 2.234 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000246187517 402516475 /nfs/dbraw/zinc/51/64/75/402516475.db2.gz MFPYQUAHWVTNIL-IAGOWNOFSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)NC1CCN(C2CC2)CC1 ZINC000188286602 402518892 /nfs/dbraw/zinc/51/88/92/402518892.db2.gz WMJFNDVVBNIFCF-OAHLLOKOSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CN1C1CC1 ZINC000246370421 402527262 /nfs/dbraw/zinc/52/72/62/402527262.db2.gz IBRGODYZIPIMRT-IIAWOOMASA-N 1 3 324.513 2.277 20 0 DEADHO CC(C)([NH3+])CC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000178733696 402532093 /nfs/dbraw/zinc/53/20/93/402532093.db2.gz SPDGNYLQCBRLAP-CYBMUJFWSA-N 1 3 309.479 2.204 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000246642128 402539192 /nfs/dbraw/zinc/53/91/92/402539192.db2.gz HJZISQBUDYIXAD-KSZLIROESA-N 1 3 315.461 2.285 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000248501990 402593958 /nfs/dbraw/zinc/59/39/58/402593958.db2.gz UAUILNXHURYLMN-JKSUJKDBSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000251880337 402650870 /nfs/dbraw/zinc/65/08/70/402650870.db2.gz UUFUFIQTEGFZJD-ZACQAIPSSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](CCNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)[NH+]1CCCCC1 ZINC000182706480 402709796 /nfs/dbraw/zinc/70/97/96/402709796.db2.gz YFHSDLWPEOEOFS-BBWFWOEESA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H]1CN(CCC2CCN(C[C@]3(C)CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000262017698 402721449 /nfs/dbraw/zinc/72/14/49/402721449.db2.gz MXCPOBVSBYILFW-ZIFCJYIRSA-N 1 3 323.525 2.197 20 0 DEADHO CN(C)C(=O)N1CCC([NH2+]C2CC(C)(C)NC(C)(C)C2)CC1 ZINC000182229796 402674473 /nfs/dbraw/zinc/67/44/73/402674473.db2.gz UQFFNALGVNFRSV-UHFFFAOYSA-N 1 3 310.486 2.031 20 0 DEADHO N[C@@H](CC1CCCCC1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262539450 402726858 /nfs/dbraw/zinc/72/68/58/402726858.db2.gz QWIOQQVQIVIDIN-SJORKVTESA-N 1 3 307.482 2.371 20 0 DEADHO CCC[C@H](N)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000182983015 402730945 /nfs/dbraw/zinc/73/09/45/402730945.db2.gz UITXWXATMUUQCL-KRWDZBQOSA-N 1 3 318.465 2.274 20 0 DEADHO C[C@]1(C(=O)N[C@H](CN)c2ccc3ccccc3c2)CCCC[NH2+]1 ZINC000192547714 402736654 /nfs/dbraw/zinc/73/66/54/402736654.db2.gz XXNGYQAXESFVKO-IEBWSBKVSA-N 1 3 311.429 2.488 20 0 DEADHO CCC[C@H](N)C(=O)N(CC[NH+](CC)CC)Cc1ccccc1 ZINC000263242719 402749763 /nfs/dbraw/zinc/74/97/63/402749763.db2.gz GTNIGBZPMWYNRF-KRWDZBQOSA-N 1 3 305.466 2.484 20 0 DEADHO CC(C)[C@H](C(=O)Nc1ccc(OCC[NH3+])cc1)N1CCCCC1 ZINC000183261014 402750951 /nfs/dbraw/zinc/75/09/51/402750951.db2.gz QMOSKZDHMNHOAV-QGZVFWFLSA-N 1 3 319.449 2.473 20 0 DEADHO CC(C)[C@@H](C(=O)Nc1ccc(OCC[NH3+])cc1)N1CCCCC1 ZINC000183260999 402751102 /nfs/dbraw/zinc/75/11/02/402751102.db2.gz QMOSKZDHMNHOAV-KRWDZBQOSA-N 1 3 319.449 2.473 20 0 DEADHO COC[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccccc1 ZINC000193002832 402760514 /nfs/dbraw/zinc/76/05/14/402760514.db2.gz UHXLRVBDOAQWBZ-IBGZPJMESA-N 1 3 319.493 2.380 20 0 DEADHO CCC[C@@](C)([NH3+])C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000262303344 402724091 /nfs/dbraw/zinc/72/40/91/402724091.db2.gz LLGCKNNWIJNTFK-SJLPKXTDSA-N 1 3 305.466 2.485 20 0 DEADHO CC[C@@H](C(N)=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000264034484 402832556 /nfs/dbraw/zinc/83/25/56/402832556.db2.gz BMIXOVLQURICLX-KRWDZBQOSA-N 1 3 303.450 2.094 20 0 DEADHO CC[C@@H](C(N)=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000264034484 402832558 /nfs/dbraw/zinc/83/25/58/402832558.db2.gz BMIXOVLQURICLX-KRWDZBQOSA-N 1 3 303.450 2.094 20 0 DEADHO CC[C@@H](C)[C@@H](N)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000195139252 402833465 /nfs/dbraw/zinc/83/34/65/402833465.db2.gz QTTRUYVYQMSILH-RHSMWYFYSA-N 1 3 303.450 2.272 20 0 DEADHO C[C@H](NC(=O)c1cccc(CN(C)C)c1)C(C)(C)C[NH+](C)C ZINC000175808939 402834630 /nfs/dbraw/zinc/83/46/30/402834630.db2.gz LZXIAMOGKIALTH-AWEZNQCLSA-N 1 3 305.466 2.454 20 0 DEADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1cncc(F)c1 ZINC000271457423 402872856 /nfs/dbraw/zinc/87/28/56/402872856.db2.gz FOERRWVGWJTMTE-JCURWCKSSA-N 1 3 307.413 2.249 20 0 DEADHO C[C@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)CN1 ZINC000272558989 402952952 /nfs/dbraw/zinc/95/29/52/402952952.db2.gz NKIDWTZKGIOTOH-HOTGVXAUSA-N 1 3 315.461 2.107 20 0 DEADHO Cn1cc(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)cn1 ZINC000272598308 402957708 /nfs/dbraw/zinc/95/77/08/402957708.db2.gz TUINFQSGSNQYHW-VAMGGRTRSA-N 1 3 324.472 2.463 20 0 DEADHO COC[C@@H](NCC1(O)CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000279836692 402963077 /nfs/dbraw/zinc/96/30/77/402963077.db2.gz ZLDKGFDYQQYKKM-OAHLLOKOSA-N 1 3 312.841 2.074 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000272314103 402922324 /nfs/dbraw/zinc/92/23/24/402922324.db2.gz SGHASCZIEBSLIM-BPQIPLTHSA-N 1 3 317.477 2.353 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000272314103 402922326 /nfs/dbraw/zinc/92/23/26/402922326.db2.gz SGHASCZIEBSLIM-BPQIPLTHSA-N 1 3 317.477 2.353 20 0 DEADHO C[C@@H]([NH2+]Cc1cc(=O)c(O)co1)[C@@H]1CCCN(C2CCC2)C1 ZINC000273279541 402990218 /nfs/dbraw/zinc/99/02/18/402990218.db2.gz NPUMNVACBAULEX-CHWSQXEVSA-N 1 3 306.406 2.088 20 0 DEADHO C[C@H](CC(N)=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000267275273 403031557 /nfs/dbraw/zinc/03/15/57/403031557.db2.gz TYLHRTRSTANTFR-HUUCEWRRSA-N 1 3 303.450 2.415 20 0 DEADHO C[C@H](CC(N)=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000267275273 403031559 /nfs/dbraw/zinc/03/15/59/403031559.db2.gz TYLHRTRSTANTFR-HUUCEWRRSA-N 1 3 303.450 2.415 20 0 DEADHO CN(CCCNC(=O)[C@]12CCC[C@@H]1C[NH2+]C2)Cc1ccccc1 ZINC000280774901 403035502 /nfs/dbraw/zinc/03/55/02/403035502.db2.gz HPPGYRQTQUDOAR-MJGOQNOKSA-N 1 3 315.461 2.014 20 0 DEADHO CN(C)CCN1CCC([NH2+][C@H]2CCCc3ccc(O)cc32)CC1 ZINC000280931423 403051212 /nfs/dbraw/zinc/05/12/12/403051212.db2.gz HERWEFAGBIBIBY-IBGZPJMESA-N 1 3 317.477 2.385 20 0 DEADHO COCCC[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(F)cc1 ZINC000282013673 403113507 /nfs/dbraw/zinc/11/35/07/403113507.db2.gz RNHSKYGCUYYQJM-MSOLQXFVSA-N 1 3 324.440 2.340 20 0 DEADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCC23CCC3)c1 ZINC000282060365 403118709 /nfs/dbraw/zinc/11/87/09/403118709.db2.gz GSFLGHAEVNBEMB-QGZVFWFLSA-N 1 3 315.461 2.400 20 0 DEADHO CN(C)CCOc1ccc(CC[NH2+]CC2=CCCOC2)cc1 ZINC000269267344 403126603 /nfs/dbraw/zinc/12/66/03/403126603.db2.gz DSKRTDWDTKRTDD-UHFFFAOYSA-N 1 3 304.434 2.106 20 0 DEADHO CC(C)N1CCN(C2CC[NH+](CCc3ccncc3)CC2)CC1 ZINC000270930201 403241363 /nfs/dbraw/zinc/24/13/63/403241363.db2.gz QBROOIBICWQBFX-UHFFFAOYSA-N 1 3 316.493 2.115 20 0 DEADHO Cc1c([C@H](C)[NH2+]CC2(O)CCN(C)CC2)cnn1C(C)(C)C ZINC000345329923 403288797 /nfs/dbraw/zinc/28/87/97/403288797.db2.gz QQIXBUJFFCVZBN-ZDUSSCGKSA-N 1 3 308.470 2.054 20 0 DEADHO CC1CCC(N2CCN(C(=O)[C@H]3CCC[NH2+][C@@H]3C)CC2)CC1 ZINC000342690752 403309535 /nfs/dbraw/zinc/30/95/35/403309535.db2.gz GQCWJSNYAJATAZ-MYBQVCMBSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)N1CCCCC1 ZINC000342715937 403320046 /nfs/dbraw/zinc/32/00/46/403320046.db2.gz PYKLZRZJSYTPSS-MWDXBVQZSA-N 1 3 307.482 2.083 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NCCC[N@H+]2CCCC[C@@H]2C)CCCN1C ZINC000345416074 403325120 /nfs/dbraw/zinc/32/51/20/403325120.db2.gz SPYNVILHIWYCNG-ARFHVFGLSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)CCCN1C ZINC000345416074 403325124 /nfs/dbraw/zinc/32/51/24/403325124.db2.gz SPYNVILHIWYCNG-ARFHVFGLSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000285976373 403422340 /nfs/dbraw/zinc/42/23/40/403422340.db2.gz HNMOMVJUVQFPNZ-RKVPGOIHSA-N 1 3 315.461 2.399 20 0 DEADHO CN1CCC[C@@H]1CC[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000293496508 403488222 /nfs/dbraw/zinc/48/82/22/403488222.db2.gz ZJGOBXCZUNVSCH-GOSISDBHSA-N 1 3 302.462 2.497 20 0 DEADHO C[C@H](NCc1ccncc1OCCC[NH+](C)C)[C@]1(C)CCCO1 ZINC000340402424 403604757 /nfs/dbraw/zinc/60/47/57/403604757.db2.gz PQFFXXIUDFNQKA-YJBOKZPZSA-N 1 3 321.465 2.459 20 0 DEADHO CC1(C)OCC[C@@H]1[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000293867036 403586284 /nfs/dbraw/zinc/58/62/84/403586284.db2.gz USWGQEUNYGJLPS-SFHVURJKSA-N 1 3 318.461 2.300 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](C)CN(C)C)cc1 ZINC000293879628 403588729 /nfs/dbraw/zinc/58/87/29/403588729.db2.gz YQAMRZMCKJWHLJ-KGLIPLIRSA-N 1 3 307.438 2.200 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)NC[C@@H](C)C[NH+](C)C)cc1 ZINC000293879628 403588734 /nfs/dbraw/zinc/58/87/34/403588734.db2.gz YQAMRZMCKJWHLJ-KGLIPLIRSA-N 1 3 307.438 2.200 20 0 DEADHO [NH3+][C@H]1CCC[C@@H]1CC(=O)NCCCN1CCc2ccccc2C1 ZINC000340127140 403556500 /nfs/dbraw/zinc/55/65/00/403556500.db2.gz UQEDMVVFEDMMBX-AEFFLSMTSA-N 1 3 315.461 2.069 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H]1CN1CCC(N2CCO[C@H](C)C2)CC1 ZINC000340278364 403576439 /nfs/dbraw/zinc/57/64/39/403576439.db2.gz GMZQRXQKYKWZRO-MJGOQNOKSA-N 1 3 323.525 2.434 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H]1CN1CCC(N2CCO[C@H](C)C2)CC1 ZINC000340278364 403576440 /nfs/dbraw/zinc/57/64/40/403576440.db2.gz GMZQRXQKYKWZRO-MJGOQNOKSA-N 1 3 323.525 2.434 20 0 DEADHO CC(C)N1CCCC[C@H]1C[NH+]1CCC(N2CCO[C@H](C)C2)CC1 ZINC000340278364 403576443 /nfs/dbraw/zinc/57/64/43/403576443.db2.gz GMZQRXQKYKWZRO-MJGOQNOKSA-N 1 3 323.525 2.434 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H]1CN1CCN(C2CCOCC2)CC1 ZINC000340287698 403576523 /nfs/dbraw/zinc/57/65/23/403576523.db2.gz KOIAKOVXKPMOGF-SFHVURJKSA-N 1 3 309.498 2.046 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H]1CN1CCN(C2CCOCC2)CC1 ZINC000340287698 403576525 /nfs/dbraw/zinc/57/65/25/403576525.db2.gz KOIAKOVXKPMOGF-SFHVURJKSA-N 1 3 309.498 2.046 20 0 DEADHO COc1ccc([C@@H](CN[C@H](C)C2C[NH2+]C2)N2CCCCC2)cc1 ZINC000422772879 286357363 /nfs/dbraw/zinc/35/73/63/286357363.db2.gz ZEYWVALZIDZEEK-DNVCBOLYSA-N 1 3 317.477 2.420 20 0 DEADHO CC(C)[NH+](CCCN[C@@H]1CCC[C@H](S(C)(=O)=O)C1)C(C)C ZINC000340520705 403634584 /nfs/dbraw/zinc/63/45/84/403634584.db2.gz SFBWYKQCEALNTL-CVEARBPZSA-N 1 3 318.527 2.441 20 0 DEADHO Cc1nn(C(C)C)cc1CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333193657 403690588 /nfs/dbraw/zinc/69/05/88/403690588.db2.gz VRKHAQCAHQTNBJ-ZWKOTPCHSA-N 1 3 320.481 2.491 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000347493323 403729758 /nfs/dbraw/zinc/72/97/58/403729758.db2.gz MAMQOEKPFKMDGX-HZPDHXFCSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000343782145 403731220 /nfs/dbraw/zinc/73/12/20/403731220.db2.gz CFHDHFYQAZMJMW-IIDMSEBBSA-N 1 3 319.493 2.240 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000343782145 403731221 /nfs/dbraw/zinc/73/12/21/403731221.db2.gz CFHDHFYQAZMJMW-IIDMSEBBSA-N 1 3 319.493 2.240 20 0 DEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc2c(c1)CNC2 ZINC000347503259 403732883 /nfs/dbraw/zinc/73/28/83/403732883.db2.gz JKVQBOCFLLBHSI-QLFBSQMISA-N 1 3 315.461 2.386 20 0 DEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc2c(c1)CNC2 ZINC000347503259 403732885 /nfs/dbraw/zinc/73/28/85/403732885.db2.gz JKVQBOCFLLBHSI-QLFBSQMISA-N 1 3 315.461 2.386 20 0 DEADHO C[NH+](C)Cc1ccc(CNC(=O)c2ccc3c(c2)CNC3)cc1 ZINC000347530120 403742479 /nfs/dbraw/zinc/74/24/79/403742479.db2.gz UTVCQZCJBCGSQT-UHFFFAOYSA-N 1 3 309.413 2.281 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000343855110 403760230 /nfs/dbraw/zinc/76/02/30/403760230.db2.gz XTNSCJRFXALLGS-BBWFWOEESA-N 1 3 324.513 2.423 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000343855110 403760234 /nfs/dbraw/zinc/76/02/34/403760234.db2.gz XTNSCJRFXALLGS-BBWFWOEESA-N 1 3 324.513 2.423 20 0 DEADHO CCCCNC(=O)[C@H]1CCCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000351632224 403817476 /nfs/dbraw/zinc/81/74/76/403817476.db2.gz IWTIBLCTSRRVHH-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO CCCCNC(=O)[C@H]1CCCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000351632224 403817479 /nfs/dbraw/zinc/81/74/79/403817479.db2.gz IWTIBLCTSRRVHH-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)N1CCCN(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)CC1 ZINC000361721295 403823121 /nfs/dbraw/zinc/82/31/21/403823121.db2.gz QOJJJONJYMBENX-KRWDZBQOSA-N 1 3 324.513 2.377 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000341110206 403777857 /nfs/dbraw/zinc/77/78/57/403777857.db2.gz VCXRFBDFTNQKCL-IXDOHACOSA-N 1 3 324.513 2.423 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000341110206 403777859 /nfs/dbraw/zinc/77/78/59/403777859.db2.gz VCXRFBDFTNQKCL-IXDOHACOSA-N 1 3 324.513 2.423 20 0 DEADHO CC(C)N1CCCN(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000341215432 403839626 /nfs/dbraw/zinc/83/96/26/403839626.db2.gz SGOLJRQYVGUWQF-IRXDYDNUSA-N 1 3 324.513 2.375 20 0 DEADHO CC(C)N1CCCN(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000341215432 403839630 /nfs/dbraw/zinc/83/96/30/403839630.db2.gz SGOLJRQYVGUWQF-IRXDYDNUSA-N 1 3 324.513 2.375 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)CN2CCCCC2)C[C@@H]1C ZINC000361756415 403846563 /nfs/dbraw/zinc/84/65/63/403846563.db2.gz USHPMZGADRNCQP-ULQDDVLXSA-N 1 3 324.513 2.375 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)CN2CCCCC2)C[C@@H]1C ZINC000361756415 403846565 /nfs/dbraw/zinc/84/65/65/403846565.db2.gz USHPMZGADRNCQP-ULQDDVLXSA-N 1 3 324.513 2.375 20 0 DEADHO C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000341283581 403884132 /nfs/dbraw/zinc/88/41/32/403884132.db2.gz YZPKWRGYSYXNAR-DNVCBOLYSA-N 1 3 317.477 2.199 20 0 DEADHO CC(C)N1CCCN(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000341310075 403900950 /nfs/dbraw/zinc/90/09/50/403900950.db2.gz XFGPVRJPFCSIDS-QGZVFWFLSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000362491539 403959949 /nfs/dbraw/zinc/95/99/49/403959949.db2.gz YTMGSVTUDIZVEY-NJAFHUGGSA-N 1 3 315.461 2.137 20 0 DEADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000362491539 403959960 /nfs/dbraw/zinc/95/99/60/403959960.db2.gz YTMGSVTUDIZVEY-NJAFHUGGSA-N 1 3 315.461 2.137 20 0 DEADHO OC1(CCN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000411658644 403928299 /nfs/dbraw/zinc/92/82/99/403928299.db2.gz MEVKECWQZHAFPH-HDICACEKSA-N 1 3 300.446 2.355 20 0 DEADHO OC1(CCN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000411658644 403928302 /nfs/dbraw/zinc/92/83/02/403928302.db2.gz MEVKECWQZHAFPH-HDICACEKSA-N 1 3 300.446 2.355 20 0 DEADHO CCC[N@H+](CCN1CCN(CC)CC1)Cc1ccc(CO)cc1 ZINC000344134939 403933068 /nfs/dbraw/zinc/93/30/68/403933068.db2.gz RKUBYZDQQBVOGQ-UHFFFAOYSA-N 1 3 319.493 2.028 20 0 DEADHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1ccc(CO)cc1 ZINC000344134939 403933076 /nfs/dbraw/zinc/93/30/76/403933076.db2.gz RKUBYZDQQBVOGQ-UHFFFAOYSA-N 1 3 319.493 2.028 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000354793360 404016209 /nfs/dbraw/zinc/01/62/09/404016209.db2.gz JIPJIVQVAVOYAK-BRWVUGGUSA-N 1 3 322.497 2.177 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000354793360 404016213 /nfs/dbraw/zinc/01/62/13/404016213.db2.gz JIPJIVQVAVOYAK-BRWVUGGUSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000341456266 403978100 /nfs/dbraw/zinc/97/81/00/403978100.db2.gz FSBNQUCUYUNGGU-SJORKVTESA-N 1 3 322.497 2.131 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cccc(O)c1 ZINC000289471689 403979888 /nfs/dbraw/zinc/97/98/88/403979888.db2.gz PNOAFUFLFYSTLZ-KRWDZBQOSA-N 1 3 305.466 2.240 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cccc(O)c1 ZINC000289471689 403979892 /nfs/dbraw/zinc/97/98/92/403979892.db2.gz PNOAFUFLFYSTLZ-KRWDZBQOSA-N 1 3 305.466 2.240 20 0 DEADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000290185843 404074127 /nfs/dbraw/zinc/07/41/27/404074127.db2.gz FSGGMMBYADOOHH-KFWWJZLASA-N 1 3 321.490 2.389 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)C(C)C ZINC000341659075 404094645 /nfs/dbraw/zinc/09/46/45/404094645.db2.gz ZXEPTRRZKOAQQN-NVXWUHKLSA-N 1 3 324.513 2.277 20 0 DEADHO C[NH+](C)Cc1ccc(CN[C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000352031042 404096147 /nfs/dbraw/zinc/09/61/47/404096147.db2.gz YHWAFEQJDAQZMY-SJORKVTESA-N 1 3 324.490 2.194 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCCC[C@@H]2C[C@@H](C)O)CC1 ZINC000337459097 404040259 /nfs/dbraw/zinc/04/02/59/404040259.db2.gz JJUSYLWYRLCQML-QZTJIDSGSA-N 1 3 311.514 2.028 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCCC[C@@H]2C[C@@H](C)O)CC1 ZINC000337459097 404040264 /nfs/dbraw/zinc/04/02/64/404040264.db2.gz JJUSYLWYRLCQML-QZTJIDSGSA-N 1 3 311.514 2.028 20 0 DEADHO CCN(CCC[NH+](C)C)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000348147141 404045874 /nfs/dbraw/zinc/04/58/74/404045874.db2.gz OFHAJDNVIQESIM-SFHVURJKSA-N 1 3 317.477 2.451 20 0 DEADHO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000320586788 404066959 /nfs/dbraw/zinc/06/69/59/404066959.db2.gz BQOQGVGOHLTBCM-AEFFLSMTSA-N 1 3 318.461 2.117 20 0 DEADHO Cc1ccc(C)c(OC[C@@H](O)CNC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000320586788 404066965 /nfs/dbraw/zinc/06/69/65/404066965.db2.gz BQOQGVGOHLTBCM-AEFFLSMTSA-N 1 3 318.461 2.117 20 0 DEADHO Cc1ccc(C)c(OC[C@@H](O)CNC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000320586788 404066971 /nfs/dbraw/zinc/06/69/71/404066971.db2.gz BQOQGVGOHLTBCM-AEFFLSMTSA-N 1 3 318.461 2.117 20 0 DEADHO Cc1ncsc1CN(Cc1cn[nH]c1C)C[C@H]1CC[NH2+]C1 ZINC000328648835 404124358 /nfs/dbraw/zinc/12/43/58/404124358.db2.gz UTERILGPETXESQ-ZDUSSCGKSA-N 1 3 305.451 2.095 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000349104300 404122998 /nfs/dbraw/zinc/12/29/98/404122998.db2.gz DABUPMDCZZYRDB-QGZVFWFLSA-N 1 3 307.482 2.338 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000349104300 404123002 /nfs/dbraw/zinc/12/30/02/404123002.db2.gz DABUPMDCZZYRDB-QGZVFWFLSA-N 1 3 307.482 2.338 20 0 DEADHO c1nnc([C@@H](NCC2CC[NH+](C3CC3)CC2)c2ccccc2)[nH]1 ZINC000290490712 404191654 /nfs/dbraw/zinc/19/16/54/404191654.db2.gz XUFRLASFJZFEGD-KRWDZBQOSA-N 1 3 311.433 2.358 20 0 DEADHO CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000355079969 404204756 /nfs/dbraw/zinc/20/47/56/404204756.db2.gz KAHJIHWKXLLHPX-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H](CC(N)=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000341884896 404233078 /nfs/dbraw/zinc/23/30/78/404233078.db2.gz IKCVSVBMMJQSFE-OAHLLOKOSA-N 1 3 303.450 2.272 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000344648841 404282841 /nfs/dbraw/zinc/28/28/41/404282841.db2.gz UEZPSBFXAIGBCV-MRXNPFEDSA-N 1 3 309.498 2.343 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000355442621 404334672 /nfs/dbraw/zinc/33/46/72/404334672.db2.gz DWXFEAUARXVAEK-SJORKVTESA-N 1 3 322.497 2.177 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000355442621 404334677 /nfs/dbraw/zinc/33/46/77/404334677.db2.gz DWXFEAUARXVAEK-SJORKVTESA-N 1 3 322.497 2.177 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000344729523 404336862 /nfs/dbraw/zinc/33/68/62/404336862.db2.gz MZZYLVMUDFJLDM-JYJNAYRXSA-N 1 3 307.482 2.192 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000344729523 404336870 /nfs/dbraw/zinc/33/68/70/404336870.db2.gz MZZYLVMUDFJLDM-JYJNAYRXSA-N 1 3 307.482 2.192 20 0 DEADHO C[C@@H]1C[C@H](CCNCc2cnnn2C)C[N@@H+]1Cc1ccccc1 ZINC000338177412 404351201 /nfs/dbraw/zinc/35/12/01/404351201.db2.gz FXBDTPOGGFQUKC-WBVHZDCISA-N 1 3 313.449 2.205 20 0 DEADHO C[C@@H]1C[C@H](CCNCc2cnnn2C)C[N@H+]1Cc1ccccc1 ZINC000338177412 404351213 /nfs/dbraw/zinc/35/12/13/404351213.db2.gz FXBDTPOGGFQUKC-WBVHZDCISA-N 1 3 313.449 2.205 20 0 DEADHO CC(C)CCO[C@@H]1CCCC[C@@H]1NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000352365195 404318661 /nfs/dbraw/zinc/31/86/61/404318661.db2.gz OLKSKARGRPFRSP-FGTMMUONSA-N 1 3 312.498 2.405 20 0 DEADHO CC(C)CCO[C@@H]1CCCC[C@@H]1NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000352365195 404318670 /nfs/dbraw/zinc/31/86/70/404318670.db2.gz OLKSKARGRPFRSP-FGTMMUONSA-N 1 3 312.498 2.405 20 0 DEADHO [NH3+][C@@H]1CCC[C@H]2CN(CCCOc3ccc4c(c3)OCO4)C[C@@H]21 ZINC000342116813 404377989 /nfs/dbraw/zinc/37/79/89/404377989.db2.gz YTZFFYVAGUJJHO-CWRNSKLLSA-N 1 3 318.417 2.243 20 0 DEADHO C[C@@H](CNC(=O)NCC[N@H+](C)C1CCCC1)N1CCC(C)CC1 ZINC000356131134 404394366 /nfs/dbraw/zinc/39/43/66/404394366.db2.gz BNYAMNKIIVEZKI-INIZCTEOSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H](CNC(=O)NCC[N@@H+](C)C1CCCC1)N1CCC(C)CC1 ZINC000356131134 404394371 /nfs/dbraw/zinc/39/43/71/404394371.db2.gz BNYAMNKIIVEZKI-INIZCTEOSA-N 1 3 324.513 2.280 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2)c1ccccc1 ZINC000364561125 404449257 /nfs/dbraw/zinc/44/92/57/404449257.db2.gz MYGYCBMXJRAIKL-ZHALLVOQSA-N 1 3 315.461 2.185 20 0 DEADHO C[C@@H](Cn1cccn1)[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000345162431 404586001 /nfs/dbraw/zinc/58/60/01/404586001.db2.gz HQGDJYYNAAUNBZ-INIZCTEOSA-N 1 3 316.449 2.044 20 0 DEADHO CC[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)[C@H]1CC1(C)C ZINC000414199815 404547087 /nfs/dbraw/zinc/54/70/87/404547087.db2.gz RLWAFMZHZWHMDO-IAGOWNOFSA-N 1 3 323.525 2.197 20 0 DEADHO CC[C@H]1CCC[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000414207322 404548972 /nfs/dbraw/zinc/54/89/72/404548972.db2.gz ZLNVFLCPPLESMS-ZWKOTPCHSA-N 1 3 323.525 2.341 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N2CCCC23CCN(C)CC3)CC1 ZINC000352783104 404617811 /nfs/dbraw/zinc/61/78/11/404617811.db2.gz XEXXKLQWOKSVDJ-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO CC1CCC(O)(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000374422827 404706556 /nfs/dbraw/zinc/70/65/56/404706556.db2.gz SPKPYDOLKCZXLD-XTJLLSPMSA-N 1 3 310.482 2.111 20 0 DEADHO Cc1cc(Br)cn2c(C[NH2+][C@H](CN)C3CC3)cnc12 ZINC000414794876 404737640 /nfs/dbraw/zinc/73/76/40/404737640.db2.gz GBAJZUGSYIEATQ-CYBMUJFWSA-N 1 3 323.238 2.232 20 0 DEADHO NC[C@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000414795340 404738004 /nfs/dbraw/zinc/73/80/04/404738004.db2.gz GSECEKLBAWPCHM-SJLPKXTDSA-N 1 3 302.466 2.153 20 0 DEADHO CCOc1c(OC)cc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc1OC ZINC000414806027 404739182 /nfs/dbraw/zinc/73/91/82/404739182.db2.gz ZEYZIHFQXJUTSS-ZIAGYGMSSA-N 1 3 308.422 2.320 20 0 DEADHO CCOc1c(OC)cc(CN[C@@H]2CCC[C@H]2C[NH3+])cc1OC ZINC000414806024 404739240 /nfs/dbraw/zinc/73/92/40/404739240.db2.gz ZEYZIHFQXJUTSS-UONOGXRCSA-N 1 3 308.422 2.320 20 0 DEADHO CN(C)C(=O)N1CCC([NH2+]CCNC2CCCCCC2)CC1 ZINC000414803546 404739763 /nfs/dbraw/zinc/73/97/63/404739763.db2.gz JOURAZCYCXNQHY-UHFFFAOYSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@H](CC(=O)NCCc1ccccc1)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414813876 404740048 /nfs/dbraw/zinc/74/00/48/404740048.db2.gz YUNQVBRXXZRXJW-BPQIPLTHSA-N 1 3 317.477 2.231 20 0 DEADHO C[C@H](CC(=O)NCCc1ccccc1)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000414813876 404740050 /nfs/dbraw/zinc/74/00/50/404740050.db2.gz YUNQVBRXXZRXJW-BPQIPLTHSA-N 1 3 317.477 2.231 20 0 DEADHO CNC[C@H](C)C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000414846252 404748078 /nfs/dbraw/zinc/74/80/78/404748078.db2.gz ULNLGAGHVYLWSE-ZDUSSCGKSA-N 1 3 323.868 2.390 20 0 DEADHO C[NH2+]C[C@H](C)CNC1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000414846252 404748079 /nfs/dbraw/zinc/74/80/79/404748079.db2.gz ULNLGAGHVYLWSE-ZDUSSCGKSA-N 1 3 323.868 2.390 20 0 DEADHO C[C@H](NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)C1=CCN(C)CC1 ZINC000358118896 404754308 /nfs/dbraw/zinc/75/43/08/404754308.db2.gz VLYRWHUYBSHSQZ-RDJZCZTQSA-N 1 3 322.497 2.153 20 0 DEADHO C[C@H](NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)C1=CCN(C)CC1 ZINC000358118896 404754309 /nfs/dbraw/zinc/75/43/09/404754309.db2.gz VLYRWHUYBSHSQZ-RDJZCZTQSA-N 1 3 322.497 2.153 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000358179320 404755386 /nfs/dbraw/zinc/75/53/86/404755386.db2.gz ZMYGIPLJZUHYMB-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000358179320 404755390 /nfs/dbraw/zinc/75/53/90/404755390.db2.gz ZMYGIPLJZUHYMB-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO FC(F)(F)c1cc(Cl)cc(CNCCN2CC[NH2+]CC2)c1 ZINC000414886509 404759122 /nfs/dbraw/zinc/75/91/22/404759122.db2.gz PZJHBZOTDCQTAD-UHFFFAOYSA-N 1 3 321.774 2.354 20 0 DEADHO CC(C)C[C@H](C[NH3+])NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000414889518 404760102 /nfs/dbraw/zinc/76/01/02/404760102.db2.gz SVFIKPQSIVVELL-OAHLLOKOSA-N 1 3 322.453 2.122 20 0 DEADHO C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414683062 404707857 /nfs/dbraw/zinc/70/78/57/404707857.db2.gz SIPDFOZSAQTVIY-ZIAGYGMSSA-N 1 3 307.413 2.016 20 0 DEADHO C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414683062 404707861 /nfs/dbraw/zinc/70/78/61/404707861.db2.gz SIPDFOZSAQTVIY-ZIAGYGMSSA-N 1 3 307.413 2.016 20 0 DEADHO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414708628 404713163 /nfs/dbraw/zinc/71/31/63/404713163.db2.gz QESZTKKLMUUDNG-RYRKJORJSA-N 1 3 315.461 2.062 20 0 DEADHO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414708628 404713167 /nfs/dbraw/zinc/71/31/67/404713167.db2.gz QESZTKKLMUUDNG-RYRKJORJSA-N 1 3 315.461 2.062 20 0 DEADHO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414708629 404713733 /nfs/dbraw/zinc/71/37/33/404713733.db2.gz QESZTKKLMUUDNG-SOLBZPMBSA-N 1 3 315.461 2.062 20 0 DEADHO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414708629 404713735 /nfs/dbraw/zinc/71/37/35/404713735.db2.gz QESZTKKLMUUDNG-SOLBZPMBSA-N 1 3 315.461 2.062 20 0 DEADHO CCN(CC(=O)Nc1ccccc1OC)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414745442 404722268 /nfs/dbraw/zinc/72/22/68/404722268.db2.gz XWJCHTQNJFOXFY-GJZGRUSLSA-N 1 3 319.449 2.344 20 0 DEADHO CC(C)C1CCC([N@H+](C)C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414761095 404726553 /nfs/dbraw/zinc/72/65/53/404726553.db2.gz SAPNCSQYIBUYCG-KLAILNCOSA-N 1 3 309.498 2.330 20 0 DEADHO CC(C)C1CCC([N@@H+](C)C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414761095 404726556 /nfs/dbraw/zinc/72/65/56/404726556.db2.gz SAPNCSQYIBUYCG-KLAILNCOSA-N 1 3 309.498 2.330 20 0 DEADHO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000415075093 404801548 /nfs/dbraw/zinc/80/15/48/404801548.db2.gz BAOWDLLUXXDDOM-YYIAUSFCSA-N 1 3 309.498 2.234 20 0 DEADHO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000415076005 404801870 /nfs/dbraw/zinc/80/18/70/404801870.db2.gz CECGGURTOXZZGD-ARFHVFGLSA-N 1 3 309.498 2.378 20 0 DEADHO CNC(=O)c1cccc(CCN[C@@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000415082903 404803616 /nfs/dbraw/zinc/80/36/16/404803616.db2.gz MQAOMYJRPCFVML-MAUKXSAKSA-N 1 3 317.477 2.489 20 0 DEADHO COC(=O)c1cccc2c1CCN(C[C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC000415099351 404807060 /nfs/dbraw/zinc/80/70/60/404807060.db2.gz XYGSHFDCWDUIOK-ZIAGYGMSSA-N 1 3 302.418 2.219 20 0 DEADHO C[C@@]1(CNC[C@@H]2C[C@H](F)CN2Cc2cccs2)CC[NH2+]C1 ZINC000415107467 404809385 /nfs/dbraw/zinc/80/93/85/404809385.db2.gz OWMYTZVDYPZFMS-OFQRWUPVSA-N 1 3 311.470 2.250 20 0 DEADHO Cc1cc(C)c(C[N@@H+]2CCC[C@@H](n3cc(CN)nn3)C2)cc1C ZINC000415119948 404812586 /nfs/dbraw/zinc/81/25/86/404812586.db2.gz FNYOADCXWGXJRN-GOSISDBHSA-N 1 3 313.449 2.499 20 0 DEADHO Cc1cc(C)c(C[N@H+]2CCC[C@@H](n3cc(CN)nn3)C2)cc1C ZINC000415119948 404812591 /nfs/dbraw/zinc/81/25/91/404812591.db2.gz FNYOADCXWGXJRN-GOSISDBHSA-N 1 3 313.449 2.499 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000360132751 404819860 /nfs/dbraw/zinc/81/98/60/404819860.db2.gz ALMOONLGMICDPQ-LSDHHAIUSA-N 1 3 312.502 2.087 20 0 DEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000360132751 404819862 /nfs/dbraw/zinc/81/98/62/404819862.db2.gz ALMOONLGMICDPQ-LSDHHAIUSA-N 1 3 312.502 2.087 20 0 DEADHO C[C@H](CC[NH+](C)C)NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000360802019 404838426 /nfs/dbraw/zinc/83/84/26/404838426.db2.gz ZFXHISJYGAOBRH-AQFXKWCLSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H]([NH2+]CC(C)(C)CN(C)C)c1ccc2c(c1)OCC(=O)N2 ZINC000353443714 404832205 /nfs/dbraw/zinc/83/22/05/404832205.db2.gz SRKBUSCMYLNUIT-LBPRGKRZSA-N 1 3 305.422 2.256 20 0 DEADHO C[C@H](CCCC[NH3+])NC(=O)Nc1ccccc1CCN(C)C ZINC000415562469 404884760 /nfs/dbraw/zinc/88/47/60/404884760.db2.gz GXKYSHYMFJNCJY-CQSZACIVSA-N 1 3 306.454 2.430 20 0 DEADHO Cc1ccccc1CN1CCCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000378204999 404892078 /nfs/dbraw/zinc/89/20/78/404892078.db2.gz XRCRHKYRXZSNCB-GOSISDBHSA-N 1 3 315.461 2.171 20 0 DEADHO C[C@H](CNC(=O)C12CCC[NH+]1CCC2)N(C)Cc1ccccc1 ZINC000377913423 404851851 /nfs/dbraw/zinc/85/18/51/404851851.db2.gz ZOBOPZUHZYNKIU-MRXNPFEDSA-N 1 3 315.461 2.252 20 0 DEADHO C[NH+]1CCC([C@@H]2CCN(Cc3cnn(CC(F)F)c3)C2)CC1 ZINC000353511973 404852753 /nfs/dbraw/zinc/85/27/53/404852753.db2.gz BYCDDEOFOBDFOB-OAHLLOKOSA-N 1 3 312.408 2.312 20 0 DEADHO CN(C)CCOc1ccc(CC[NH2+]C2CCC(O)CC2)cc1 ZINC000353522896 404856126 /nfs/dbraw/zinc/85/61/26/404856126.db2.gz SOKBIAMVZYENMI-UHFFFAOYSA-N 1 3 306.450 2.063 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000423977931 404956192 /nfs/dbraw/zinc/95/61/92/404956192.db2.gz WGDVUPOPTBTFHD-UXLLHSPISA-N 1 3 303.450 2.456 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000416797325 404914813 /nfs/dbraw/zinc/91/48/13/404914813.db2.gz YFBILHYAYAYSHB-OAHLLOKOSA-N 1 3 318.465 2.078 20 0 DEADHO CN(C)[C@H](CNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000416817605 404922745 /nfs/dbraw/zinc/92/27/45/404922745.db2.gz YVQJYZFFFHBNCJ-BRWVUGGUSA-N 1 3 318.465 2.106 20 0 DEADHO COc1cccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000378309873 404925347 /nfs/dbraw/zinc/92/53/47/404925347.db2.gz BZZWYQZZGUFMQF-VQIMIIECSA-N 1 3 317.477 2.153 20 0 DEADHO COc1cccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000378309873 404925349 /nfs/dbraw/zinc/92/53/49/404925349.db2.gz BZZWYQZZGUFMQF-VQIMIIECSA-N 1 3 317.477 2.153 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@H]([NH2+]C)C1)c1ccccc1 ZINC000416842378 404931540 /nfs/dbraw/zinc/93/15/40/404931540.db2.gz MWPCVWKWHABVOI-SJORKVTESA-N 1 3 318.465 2.073 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000416847279 404932650 /nfs/dbraw/zinc/93/26/50/404932650.db2.gz VFGJZLIJSFXBLP-NVXWUHKLSA-N 1 3 318.465 2.060 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N[C@H](C)CC[NH3+])c1ccccc1 ZINC000416848889 404934306 /nfs/dbraw/zinc/93/43/06/404934306.db2.gz XHWNNWYUMJFGBJ-ZBFHGGJFSA-N 1 3 306.454 2.106 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C)CC[NH3+])c1ccccc1 ZINC000416848887 404934728 /nfs/dbraw/zinc/93/47/28/404934728.db2.gz XHWNNWYUMJFGBJ-GOEBONIOSA-N 1 3 306.454 2.106 20 0 DEADHO CCCN(C(=O)NCc1ccc(CN(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC000416881312 404948409 /nfs/dbraw/zinc/94/84/09/404948409.db2.gz GWYXNRGNSWWDRJ-KRWDZBQOSA-N 1 3 318.465 2.032 20 0 DEADHO C[C@@H](CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)N1CCC[C@H](C)C1 ZINC000417018632 405004049 /nfs/dbraw/zinc/00/40/49/405004049.db2.gz PZJRAMCXEAOIIP-QAETUUGQSA-N 1 3 324.513 2.171 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H](C3CC3)C2)CC1 ZINC000367307615 405006487 /nfs/dbraw/zinc/00/64/87/405006487.db2.gz JOBYODUYXIJVMV-MRXNPFEDSA-N 1 3 307.482 2.097 20 0 DEADHO CCC([NH3+])(CC)CNC(=O)NCc1cccc(CN(C)C)c1 ZINC000417073398 405026842 /nfs/dbraw/zinc/02/68/42/405026842.db2.gz STCLKGUCHRYKLQ-UHFFFAOYSA-N 1 3 306.454 2.065 20 0 DEADHO CC[N@@H+]1CC[C@@H](CNC(=O)C[C@H](c2ccccc2)N(C)C)C1 ZINC000416132792 405031517 /nfs/dbraw/zinc/03/15/17/405031517.db2.gz LZNQWNREOSUPFB-DOTOQJQBSA-N 1 3 303.450 2.137 20 0 DEADHO CC[N@H+]1CC[C@@H](CNC(=O)C[C@H](c2ccccc2)N(C)C)C1 ZINC000416132792 405031520 /nfs/dbraw/zinc/03/15/20/405031520.db2.gz LZNQWNREOSUPFB-DOTOQJQBSA-N 1 3 303.450 2.137 20 0 DEADHO CCOC[C@@H]1CCC[C@H]1[NH2+]CCCCN1CCN(CC)CC1 ZINC000353918425 404973589 /nfs/dbraw/zinc/97/35/89/404973589.db2.gz TXQIJXWEELDZPR-ZWKOTPCHSA-N 1 3 311.514 2.199 20 0 DEADHO CCC(CC)[C@H](CNC(=O)N1C[C@@H](C)NC[C@@H]1C)[NH+]1CCCC1 ZINC000416958085 404976771 /nfs/dbraw/zinc/97/67/71/404976771.db2.gz OPQANGDCXZMHEE-VYDXJSESSA-N 1 3 324.513 2.279 20 0 DEADHO CC1(C)CCCN[C@H]1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000424045453 404982506 /nfs/dbraw/zinc/98/25/06/404982506.db2.gz QFGZMVITXDIYQY-INCKADGYSA-N 1 3 319.493 2.034 20 0 DEADHO COc1ccc(NC(=O)CCN(C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435620209 404996062 /nfs/dbraw/zinc/99/60/62/404996062.db2.gz AERSHENTOLHBRR-HNNXBMFYSA-N 1 3 305.422 2.098 20 0 DEADHO CC(C)[C@@H](CNC(=O)N1CCN[C@H](C)[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000417012105 405000557 /nfs/dbraw/zinc/00/05/57/405000557.db2.gz VQQRVXVBTRSRMZ-IXDOHACOSA-N 1 3 324.513 2.135 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H](C[NH3+])C1)c1ccsc1 ZINC000417010975 405000573 /nfs/dbraw/zinc/00/05/73/405000573.db2.gz QWAPRHAOOMKFFC-DZGCQCFKSA-N 1 3 324.494 2.121 20 0 DEADHO Cc1ccccc1CCCN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436047665 405039582 /nfs/dbraw/zinc/03/95/82/405039582.db2.gz DEGXAYOHTOZFHM-SFHVURJKSA-N 1 3 317.477 2.247 20 0 DEADHO CC(C)CN(C(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)C(C)C ZINC000424301203 405063528 /nfs/dbraw/zinc/06/35/28/405063528.db2.gz XJYKEYANEYISGA-INIZCTEOSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2C[C@@H](C)NC[C@@H]2C)C1 ZINC000417224678 405068090 /nfs/dbraw/zinc/06/80/90/405068090.db2.gz VPEZWQJCPSJWPD-QXSJWSMHSA-N 1 3 324.513 2.135 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2C[C@@H](C)NC[C@@H]2C)C1 ZINC000417224678 405068096 /nfs/dbraw/zinc/06/80/96/405068096.db2.gz VPEZWQJCPSJWPD-QXSJWSMHSA-N 1 3 324.513 2.135 20 0 DEADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCCN(C)Cc1ccccc1 ZINC000417226528 405068153 /nfs/dbraw/zinc/06/81/53/405068153.db2.gz ALALCXLCUACLFE-NVXWUHKLSA-N 1 3 318.465 2.030 20 0 DEADHO CN1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1=O ZINC000354160023 405073304 /nfs/dbraw/zinc/07/33/04/405073304.db2.gz AFTWSCOOMDMBJR-KCBNDJSGSA-N 1 3 313.445 2.002 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000417328263 405087118 /nfs/dbraw/zinc/08/71/18/405087118.db2.gz MCLGOWUGYWJLBA-FXUDXRNXSA-N 1 3 310.486 2.018 20 0 DEADHO Cc1cc(CN)cc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000424431814 405093230 /nfs/dbraw/zinc/09/32/30/405093230.db2.gz AZFIQYCHZFSIFH-HOCLYGCPSA-N 1 3 302.422 2.202 20 0 DEADHO Cc1cc(CN)cc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000424431814 405093233 /nfs/dbraw/zinc/09/32/33/405093233.db2.gz AZFIQYCHZFSIFH-HOCLYGCPSA-N 1 3 302.422 2.202 20 0 DEADHO CC[NH2+]CC1CCN(C(=O)NCCN2CCCC[C@@H]2CC)CC1 ZINC000417699485 405093449 /nfs/dbraw/zinc/09/34/49/405093449.db2.gz KLMPSGAIKYSROO-KRWDZBQOSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH3+])[C@@H](c1ccccc1)N(C)C ZINC000424481131 405104534 /nfs/dbraw/zinc/10/45/34/405104534.db2.gz QQVLNHPKRFFEBD-SVGFKBNWSA-N 1 3 318.465 2.247 20 0 DEADHO C[C@H](CC[NH3+])NC(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000418248758 405118992 /nfs/dbraw/zinc/11/89/92/405118992.db2.gz SGGZPEVWJXROAF-OAHLLOKOSA-N 1 3 318.465 2.078 20 0 DEADHO COCCCn1nccc1CN1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000367681562 405123997 /nfs/dbraw/zinc/12/39/97/405123997.db2.gz CULOBLOYVPTTBP-QGZVFWFLSA-N 1 3 320.481 2.083 20 0 DEADHO CN1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437758674 405218434 /nfs/dbraw/zinc/21/84/34/405218434.db2.gz AFIBAUILIZCJAQ-IAGOWNOFSA-N 1 3 322.497 2.177 20 0 DEADHO CN1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437758674 405218438 /nfs/dbraw/zinc/21/84/38/405218438.db2.gz AFIBAUILIZCJAQ-IAGOWNOFSA-N 1 3 322.497 2.177 20 0 DEADHO Cc1nc2scc(C3CC3)n2c1CNCCOCC[NH+](C)C ZINC000419687829 405262648 /nfs/dbraw/zinc/26/26/48/405262648.db2.gz QEJBKSXJMLEDSO-UHFFFAOYSA-N 1 3 322.478 2.249 20 0 DEADHO C[C@H](Cc1cnccn1)NCc1ccccc1OCC[NH+](C)C ZINC000453095703 405283449 /nfs/dbraw/zinc/28/34/49/405283449.db2.gz UVGOVTBLIHPXNM-OAHLLOKOSA-N 1 3 314.433 2.138 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N(C)C ZINC000437848081 405222152 /nfs/dbraw/zinc/22/21/52/405222152.db2.gz ZHFFNXQSFWQRQZ-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)N(C)C ZINC000437848081 405222155 /nfs/dbraw/zinc/22/21/55/405222155.db2.gz ZHFFNXQSFWQRQZ-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO C(CN1CCCOCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000368045471 405222372 /nfs/dbraw/zinc/22/23/72/405222372.db2.gz VVUUFISNHZQXBS-UHFFFAOYSA-N 1 3 309.498 2.095 20 0 DEADHO O=C(NC1CCN(C2CC2)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000438577742 405251335 /nfs/dbraw/zinc/25/13/35/405251335.db2.gz URVMMYNPTOFYLI-KRWDZBQOSA-N 1 3 305.466 2.136 20 0 DEADHO O=C(NC1CCN(C2CC2)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000438577742 405251337 /nfs/dbraw/zinc/25/13/37/405251337.db2.gz URVMMYNPTOFYLI-KRWDZBQOSA-N 1 3 305.466 2.136 20 0 DEADHO Clc1ccc(CN2CCN(CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000420294558 405309371 /nfs/dbraw/zinc/30/93/71/405309371.db2.gz BDSOCKGJIYYOBW-OAHLLOKOSA-N 1 3 307.869 2.457 20 0 DEADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCCc1ccsc1 ZINC000420308538 405313957 /nfs/dbraw/zinc/31/39/57/405313957.db2.gz KLLRQBMVBJWXFR-HNNXBMFYSA-N 1 3 309.479 2.000 20 0 DEADHO CCOc1ccccc1NC(=O)CCN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420314414 405316533 /nfs/dbraw/zinc/31/65/33/405316533.db2.gz VTTDORGZZNCDIM-ZIAGYGMSSA-N 1 3 305.422 2.083 20 0 DEADHO COc1cccc([C@H](C)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420327990 405320505 /nfs/dbraw/zinc/32/05/05/405320505.db2.gz MAICXYAEIKEMFS-GOEBONIOSA-N 1 3 304.434 2.444 20 0 DEADHO CN(C)C(=O)[C@H](c1ccccc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420331934 405322849 /nfs/dbraw/zinc/32/28/49/405322849.db2.gz CHQAPCSJHBGUCU-BZSNNMDCSA-N 1 3 315.461 2.137 20 0 DEADHO CC[C@@H](F)CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000440774199 405325599 /nfs/dbraw/zinc/32/55/99/405325599.db2.gz WTSJOHMKJOWVSZ-OAHLLOKOSA-N 1 3 315.477 2.151 20 0 DEADHO O=C(CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)NCC1CCCCC1 ZINC000420341413 405325692 /nfs/dbraw/zinc/32/56/92/405325692.db2.gz OFOGOVVNGFRJCR-DLBZAZTESA-N 1 3 307.482 2.004 20 0 DEADHO C[C@H](C(=O)NCc1cccs1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420342559 405326224 /nfs/dbraw/zinc/32/62/24/405326224.db2.gz POXCOEHYSDYTGZ-ILXRZTDVSA-N 1 3 321.490 2.074 20 0 DEADHO C[N@H+](CCCCOc1ccccc1C(F)(F)F)C[C@H](O)CN ZINC000420356507 405330140 /nfs/dbraw/zinc/33/01/40/405330140.db2.gz QTCUDWNXHXIACU-GFCCVEGCSA-N 1 3 320.355 2.116 20 0 DEADHO C[N@@H+](CCCCOc1ccccc1C(F)(F)F)C[C@H](O)CN ZINC000420356507 405330141 /nfs/dbraw/zinc/33/01/41/405330141.db2.gz QTCUDWNXHXIACU-GFCCVEGCSA-N 1 3 320.355 2.116 20 0 DEADHO CN(CCCCOc1ccccc1C(F)(F)F)C[C@H](O)C[NH3+] ZINC000420356507 405330142 /nfs/dbraw/zinc/33/01/42/405330142.db2.gz QTCUDWNXHXIACU-GFCCVEGCSA-N 1 3 320.355 2.116 20 0 DEADHO COCC(C)(C)C[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426409050 405358158 /nfs/dbraw/zinc/35/81/58/405358158.db2.gz DFVRRLVBQWPBRS-HZPDHXFCSA-N 1 3 312.498 2.480 20 0 DEADHO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442878831 405337388 /nfs/dbraw/zinc/33/73/88/405337388.db2.gz VBLHHZKMSCWPHD-JKSUJKDBSA-N 1 3 311.514 2.196 20 0 DEADHO [NH3+][C@@H]1CCO[C@H](C2CCN(CCOc3cccc(F)c3)CC2)C1 ZINC000420392862 405342692 /nfs/dbraw/zinc/34/26/92/405342692.db2.gz PVUPOZREOOWSJQ-AEFFLSMTSA-N 1 3 322.424 2.423 20 0 DEADHO CCN(CCNC(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1)C1CC1 ZINC000454467134 405349567 /nfs/dbraw/zinc/34/95/67/405349567.db2.gz MZWRFRVGAFJAKD-INIZCTEOSA-N 1 3 324.513 2.280 20 0 DEADHO CCC[N@H+](C)CC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000439764926 405292406 /nfs/dbraw/zinc/29/24/06/405292406.db2.gz YRGQYJOOFHYPSO-HNNXBMFYSA-N 1 3 318.465 2.065 20 0 DEADHO CCC[N@@H+](C)CC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000439764926 405292407 /nfs/dbraw/zinc/29/24/07/405292407.db2.gz YRGQYJOOFHYPSO-HNNXBMFYSA-N 1 3 318.465 2.065 20 0 DEADHO CCCN(C)CC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000439764926 405292410 /nfs/dbraw/zinc/29/24/10/405292410.db2.gz YRGQYJOOFHYPSO-HNNXBMFYSA-N 1 3 318.465 2.065 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)[C@@H]2CCCN2C2CCCC2)CC1 ZINC000440172903 405304880 /nfs/dbraw/zinc/30/48/80/405304880.db2.gz YMIMKGZIXYXYAK-KRWDZBQOSA-N 1 3 307.482 2.382 20 0 DEADHO C[C@@H](C(=O)NCC1CC[NH+](C2CC2)CC1)N1CCCCCC1 ZINC000446433677 405382526 /nfs/dbraw/zinc/38/25/26/405382526.db2.gz URSQWCLYTJXAOB-HNNXBMFYSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@H]1CCCN1C ZINC000420824984 405391521 /nfs/dbraw/zinc/39/15/21/405391521.db2.gz YICOSULNWFQYCT-IAGOWNOFSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@H]1CCCN1C ZINC000420824984 405391524 /nfs/dbraw/zinc/39/15/24/405391524.db2.gz YICOSULNWFQYCT-IAGOWNOFSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC000448434604 405420634 /nfs/dbraw/zinc/42/06/34/405420634.db2.gz HNGOGEBHJGTCNV-BBWFWOEESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC000448434604 405420636 /nfs/dbraw/zinc/42/06/36/405420636.db2.gz HNGOGEBHJGTCNV-BBWFWOEESA-N 1 3 309.498 2.343 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)CC(C)C ZINC000454608160 405370580 /nfs/dbraw/zinc/37/05/80/405370580.db2.gz FBIBBHVJEXOHIK-GVDBMIGSSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@@H](N[C@@H](CO)CC(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000429461246 405431330 /nfs/dbraw/zinc/43/13/30/405431330.db2.gz IHIWATCLVIJAEV-TZMCWYRMSA-N 1 3 316.392 2.294 20 0 DEADHO C(CN1CCCOCC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000429697494 405443927 /nfs/dbraw/zinc/44/39/27/405443927.db2.gz UJYSDJRFOJTQIJ-LJQANCHMSA-N 1 3 323.525 2.297 20 0 DEADHO CN(C)CCN(C)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455949691 405463670 /nfs/dbraw/zinc/46/36/70/405463670.db2.gz YWMBFUOUNJYIBU-MRXNPFEDSA-N 1 3 304.438 2.261 20 0 DEADHO C[C@@H]1CN(C(=O)C2C[NH+](C3CCCCC3)C2)CCN(C2CC2)C1 ZINC000457829870 405474051 /nfs/dbraw/zinc/47/40/51/405474051.db2.gz ZUAJUEBMFCAKQZ-HNNXBMFYSA-N 1 3 319.493 2.194 20 0 DEADHO C[NH2+]CC1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)CC1 ZINC000430953391 405543864 /nfs/dbraw/zinc/54/38/64/405543864.db2.gz BSVDPDYCJFRVSG-HOTGVXAUSA-N 1 3 317.477 2.492 20 0 DEADHO COc1cc(CN2CCC3(CC[NH2+]C3)CC2)cc(OC)c1OC ZINC000430953765 405543956 /nfs/dbraw/zinc/54/39/56/405543956.db2.gz CNLOYWHEZWTPEJ-UHFFFAOYSA-N 1 3 320.433 2.288 20 0 DEADHO CO[C@@H](CNC1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCCC1 ZINC000638669838 405606998 /nfs/dbraw/zinc/60/69/98/405606998.db2.gz VWROLJKOPDUMDN-YJBOKZPZSA-N 1 3 310.482 2.282 20 0 DEADHO C[C@@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)N(C)C ZINC000449555178 405613055 /nfs/dbraw/zinc/61/30/55/405613055.db2.gz FXZSCSFDPRGEJG-JCHJZTRSSA-N 1 3 301.478 2.437 20 0 DEADHO CN(C)Cc1ccc(C(=O)NC2CCC([NH+](C)C)CC2)cc1 ZINC000421685839 405590536 /nfs/dbraw/zinc/59/05/36/405590536.db2.gz WIRFRPOZSJIURF-UHFFFAOYSA-N 1 3 303.450 2.351 20 0 DEADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)C1CCN(C)CC1 ZINC000431563717 405644140 /nfs/dbraw/zinc/64/41/40/405644140.db2.gz IWBYVPQBQDZWMW-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CCCC[C@H](N)C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000449645499 405655773 /nfs/dbraw/zinc/65/57/73/405655773.db2.gz KLZIKVFTYJYABJ-UAGQMJEPSA-N 1 3 321.440 2.153 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000582159486 405679712 /nfs/dbraw/zinc/67/97/12/405679712.db2.gz PQXWQONXEIQSMX-RDJZCZTQSA-N 1 3 322.497 2.033 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000582159486 405679714 /nfs/dbraw/zinc/67/97/14/405679714.db2.gz PQXWQONXEIQSMX-RDJZCZTQSA-N 1 3 322.497 2.033 20 0 DEADHO O=C1CCCCN1CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000422864771 405689159 /nfs/dbraw/zinc/68/91/59/405689159.db2.gz VYTCFSCKMUAQAM-YESZJQIVSA-N 1 3 307.482 2.289 20 0 DEADHO O=C1CCCCN1CCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422864771 405689166 /nfs/dbraw/zinc/68/91/66/405689166.db2.gz VYTCFSCKMUAQAM-YESZJQIVSA-N 1 3 307.482 2.289 20 0 DEADHO CN(C)C(=O)c1cccc(CCN[C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422777386 405681993 /nfs/dbraw/zinc/68/19/93/405681993.db2.gz FMKKGRYZCSMMIO-SJORKVTESA-N 1 3 303.450 2.181 20 0 DEADHO COCC(C)(C)C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000494366318 405683540 /nfs/dbraw/zinc/68/35/40/405683540.db2.gz IHRLNRKDVIYEHP-UHFFFAOYSA-N 1 3 319.493 2.196 20 0 DEADHO C[C@H](C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)[C@H](N)c1ccccc1 ZINC000449689838 405693905 /nfs/dbraw/zinc/69/39/05/405693905.db2.gz LWBDHQAXYYTRCK-DKIMLUQUSA-N 1 3 315.461 2.171 20 0 DEADHO CCS(=O)(=O)c1cc(Cl)cc(CN[C@@H](C)CCC[NH3+])c1 ZINC000423167222 405709318 /nfs/dbraw/zinc/70/93/18/405709318.db2.gz DVHVKMTUXBCMFI-NSHDSACASA-N 1 3 318.870 2.351 20 0 DEADHO COc1ccc([C@H](CO)CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423172989 405710510 /nfs/dbraw/zinc/71/05/10/405710510.db2.gz WJMAWCJKCFWXBX-GDAAHCPNSA-N 1 3 318.461 2.281 20 0 DEADHO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000449708790 405703056 /nfs/dbraw/zinc/70/30/56/405703056.db2.gz WORQWSFEHVYFKR-KRWDZBQOSA-N 1 3 315.461 2.400 20 0 DEADHO C[C@@H](NC[C@@H]1CCC[NH2+]C1)c1cccc(OCCN(C)C)c1 ZINC000423219136 405726800 /nfs/dbraw/zinc/72/68/00/405726800.db2.gz WFHIWQBLELFKRX-HZPDHXFCSA-N 1 3 305.466 2.277 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000457163639 405731071 /nfs/dbraw/zinc/73/10/71/405731071.db2.gz HJBRDZWYXPLFCR-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000457163639 405731079 /nfs/dbraw/zinc/73/10/79/405731079.db2.gz HJBRDZWYXPLFCR-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO COc1cc2nccc(NC[C@H]3CCC[N@H+](C)C3)c2cc1OC ZINC000583427584 405736858 /nfs/dbraw/zinc/73/68/58/405736858.db2.gz BLXWMJVBHPSBIA-CYBMUJFWSA-N 1 3 315.417 2.428 20 0 DEADHO COc1cc2nccc(NC[C@H]3CCC[N@@H+](C)C3)c2cc1OC ZINC000583427584 405736865 /nfs/dbraw/zinc/73/68/65/405736865.db2.gz BLXWMJVBHPSBIA-CYBMUJFWSA-N 1 3 315.417 2.428 20 0 DEADHO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H](N)C(C)C)cc1 ZINC000423266637 405742323 /nfs/dbraw/zinc/74/23/23/405742323.db2.gz DQIIXZUCGXVLNX-IUODEOHRSA-N 1 3 313.467 2.082 20 0 DEADHO C[NH+]1CCC(CNC(=O)C(C)(C)[C@H](N)c2ccccc2)CC1 ZINC000423360218 405776699 /nfs/dbraw/zinc/77/66/99/405776699.db2.gz QBMWVNJXFWHWIV-MRXNPFEDSA-N 1 3 303.450 2.171 20 0 DEADHO Cc1ccc(NC(=O)CC2(C[NH3+])CC2)c(OCCN(C)C)c1 ZINC000423414072 405798537 /nfs/dbraw/zinc/79/85/37/405798537.db2.gz MCRMTEYYBNAICZ-UHFFFAOYSA-N 1 3 305.422 2.003 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000433125933 405873487 /nfs/dbraw/zinc/87/34/87/405873487.db2.gz MLUBHDPSSPWJMM-XIRDDKMYSA-N 1 3 303.450 2.169 20 0 DEADHO CCN(Cc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)cc1)C1CC1 ZINC000423636921 405886283 /nfs/dbraw/zinc/88/62/83/405886283.db2.gz BRRADQYITIHPBS-CXAGYDPISA-N 1 3 301.434 2.233 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561089981 405888764 /nfs/dbraw/zinc/88/87/64/405888764.db2.gz OSZYHNXMRHTBGE-QZTJIDSGSA-N 1 3 315.461 2.109 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561089981 405888771 /nfs/dbraw/zinc/88/87/71/405888771.db2.gz OSZYHNXMRHTBGE-QZTJIDSGSA-N 1 3 315.461 2.109 20 0 DEADHO CC1CC[NH+](C[C@H]2CCCN(C[C@@H]3CCNC(=O)CC3)C2)CC1 ZINC000450323888 405835693 /nfs/dbraw/zinc/83/56/93/405835693.db2.gz LBGFRTPIYRRBPV-ZWKOTPCHSA-N 1 3 321.509 2.347 20 0 DEADHO CC1CCN(C[C@H]2CCC[N@H+](C[C@@H]3CCNC(=O)CC3)C2)CC1 ZINC000450323888 405835699 /nfs/dbraw/zinc/83/56/99/405835699.db2.gz LBGFRTPIYRRBPV-ZWKOTPCHSA-N 1 3 321.509 2.347 20 0 DEADHO CC1CCN(C[C@H]2CCC[N@@H+](C[C@@H]3CCNC(=O)CC3)C2)CC1 ZINC000450323888 405835702 /nfs/dbraw/zinc/83/57/02/405835702.db2.gz LBGFRTPIYRRBPV-ZWKOTPCHSA-N 1 3 321.509 2.347 20 0 DEADHO COc1ccc(CN2CCC(C[NH2+][C@H](C)[C@@H](C)O)CC2)cc1 ZINC000584226684 405852862 /nfs/dbraw/zinc/85/28/62/405852862.db2.gz IIJLVCROKOOURA-HUUCEWRRSA-N 1 3 306.450 2.266 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@H]2COCCO2)CC1 ZINC000450495148 405928514 /nfs/dbraw/zinc/92/85/14/405928514.db2.gz SBXBZCUVIQLLBV-AEFFLSMTSA-N 1 3 310.482 2.378 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@H]2COCCO2)CC1 ZINC000450495148 405928520 /nfs/dbraw/zinc/92/85/20/405928520.db2.gz SBXBZCUVIQLLBV-AEFFLSMTSA-N 1 3 310.482 2.378 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@]2(C)CCCCN2)C1 ZINC000423724911 405929381 /nfs/dbraw/zinc/92/93/81/405929381.db2.gz HQJPVTHNRGACGM-HPFXQQBRSA-N 1 3 307.482 2.382 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@]2(C)CCCCN2)C1 ZINC000423724911 405929384 /nfs/dbraw/zinc/92/93/84/405929384.db2.gz HQJPVTHNRGACGM-HPFXQQBRSA-N 1 3 307.482 2.382 20 0 DEADHO CC[NH+](CC)CC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000531307289 405939836 /nfs/dbraw/zinc/93/98/36/405939836.db2.gz TZXCDUZYAUIFQP-HNNXBMFYSA-N 1 3 311.857 2.401 20 0 DEADHO CO[C@H](C[N@@H+]1CC[C@@H](C2CCN(C)CC2)C1)C1CCOCC1 ZINC000639176600 405946674 /nfs/dbraw/zinc/94/66/74/405946674.db2.gz HZNSLBVFNUATPH-QZTJIDSGSA-N 1 3 310.482 2.092 20 0 DEADHO CO[C@H](C[N@H+]1CC[C@@H](C2CCN(C)CC2)C1)C1CCOCC1 ZINC000639176600 405946675 /nfs/dbraw/zinc/94/66/75/405946675.db2.gz HZNSLBVFNUATPH-QZTJIDSGSA-N 1 3 310.482 2.092 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)CC1(C[NH3+])CC1 ZINC000423751476 405947019 /nfs/dbraw/zinc/94/70/19/405947019.db2.gz YTAWXLMAHJDNGV-UHFFFAOYSA-N 1 3 303.450 2.226 20 0 DEADHO C[NH+]1CCC([C@@H]2CCN(Cc3cc4c(cn3)OCCO4)C2)CC1 ZINC000639177095 405949132 /nfs/dbraw/zinc/94/91/32/405949132.db2.gz PFBIALRHHYZLSD-OAHLLOKOSA-N 1 3 317.433 2.017 20 0 DEADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C[C@@H](N)c1ccccc1 ZINC000423761422 405951560 /nfs/dbraw/zinc/95/15/60/405951560.db2.gz OQUSNZBUMQEIHW-WMLDXEAASA-N 1 3 303.450 2.265 20 0 DEADHO CCC[C@H](O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000450472518 405917266 /nfs/dbraw/zinc/91/72/66/405917266.db2.gz FRQWTCXCRKITJW-NUJGCVRESA-N 1 3 312.498 2.359 20 0 DEADHO CCN1CC[C@@H]([NH2+]Cc2cnn(CC(F)(F)F)c2)[C@@H](C)C1 ZINC000531988923 406032282 /nfs/dbraw/zinc/03/22/82/406032282.db2.gz WMIZPDVNINIBKT-WCQYABFASA-N 1 3 304.360 2.265 20 0 DEADHO CN(CCN(C)C1CC1)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000450703528 405977037 /nfs/dbraw/zinc/97/70/37/405977037.db2.gz SYWKIPACRZSBQT-KRWDZBQOSA-N 1 3 307.482 2.336 20 0 DEADHO CN(CCN(C)C1CC1)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000450703528 405977041 /nfs/dbraw/zinc/97/70/41/405977041.db2.gz SYWKIPACRZSBQT-KRWDZBQOSA-N 1 3 307.482 2.336 20 0 DEADHO C[C@H](NC(=O)NC[C@@H]1CCCCN1C1CC1)C(C)(C)C[NH+](C)C ZINC000433906437 405997076 /nfs/dbraw/zinc/99/70/76/405997076.db2.gz FSSISBZKAFNBLM-HOCLYGCPSA-N 1 3 324.513 2.279 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000433926369 405999704 /nfs/dbraw/zinc/99/97/04/405999704.db2.gz KNMBXOLXIKLKNG-USXIJHARSA-N 1 3 322.497 2.175 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)NCC[N@@H+]1CC[C@H](C)C1 ZINC000532531055 406083641 /nfs/dbraw/zinc/08/36/41/406083641.db2.gz GQTBGZWDVJGBEU-GJZGRUSLSA-N 1 3 319.449 2.344 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)NCC[N@H+]1CC[C@H](C)C1 ZINC000532531055 406083645 /nfs/dbraw/zinc/08/36/45/406083645.db2.gz GQTBGZWDVJGBEU-GJZGRUSLSA-N 1 3 319.449 2.344 20 0 DEADHO Cc1cnc(CCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000567646840 406112511 /nfs/dbraw/zinc/11/25/11/406112511.db2.gz DPLXOXJZEYNFOP-LPHOPBHVSA-N 1 3 324.428 2.173 20 0 DEADHO CC(C)CN1CCC([NH2+]C[C@H](O)COc2ccccc2F)CC1 ZINC000567680746 406117837 /nfs/dbraw/zinc/11/78/37/406117837.db2.gz DLPLMNCITZYYGK-INIZCTEOSA-N 1 3 324.440 2.275 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)cc1 ZINC000634458008 406139133 /nfs/dbraw/zinc/13/91/33/406139133.db2.gz MKDXHEOGAJRAST-SJLPKXTDSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cc1 ZINC000634458008 406139137 /nfs/dbraw/zinc/13/91/37/406139137.db2.gz MKDXHEOGAJRAST-SJLPKXTDSA-N 1 3 315.461 2.027 20 0 DEADHO CC1CC[NH+](CCN2CCCN(c3ccncc3)CC2)CC1 ZINC000639705232 406212906 /nfs/dbraw/zinc/21/29/06/406212906.db2.gz VIIOLOWSFIFCPW-UHFFFAOYSA-N 1 3 302.466 2.326 20 0 DEADHO NC[C@H]1C[N@H+](Cc2cccc3ncccc23)CC12CCOCC2 ZINC000634688113 406225538 /nfs/dbraw/zinc/22/55/38/406225538.db2.gz IMUSJXLYXZTIOK-INIZCTEOSA-N 1 3 311.429 2.422 20 0 DEADHO NC[C@H]1C[N@@H+](Cc2cccc3ncccc23)CC12CCOCC2 ZINC000634688113 406225540 /nfs/dbraw/zinc/22/55/40/406225540.db2.gz IMUSJXLYXZTIOK-INIZCTEOSA-N 1 3 311.429 2.422 20 0 DEADHO [NH3+]C[C@H]1CN(Cc2cccc3ncccc23)CC12CCOCC2 ZINC000634688113 406225543 /nfs/dbraw/zinc/22/55/43/406225543.db2.gz IMUSJXLYXZTIOK-INIZCTEOSA-N 1 3 311.429 2.422 20 0 DEADHO C[C@H](C(=O)N(C)c1ccccc1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639760398 406239582 /nfs/dbraw/zinc/23/95/82/406239582.db2.gz WVQGEUWUHBAJJA-MRXNPFEDSA-N 1 3 315.461 2.456 20 0 DEADHO CC1CCC(NC(=O)CN2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC000639759949 406239795 /nfs/dbraw/zinc/23/97/95/406239795.db2.gz ORAUPGKNMASGTA-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO O[C@@H]1CC[N@H+](Cc2ccccc2CNC/C=C/c2ccncc2)C1 ZINC000487555665 406246418 /nfs/dbraw/zinc/24/64/18/406246418.db2.gz GWCANAHWFKXMCN-WUUFJKRQSA-N 1 3 323.440 2.451 20 0 DEADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CNC/C=C/c2ccncc2)C1 ZINC000487555665 406246423 /nfs/dbraw/zinc/24/64/23/406246423.db2.gz GWCANAHWFKXMCN-WUUFJKRQSA-N 1 3 323.440 2.451 20 0 DEADHO CCC[NH+]1CCC(NC(=O)Nc2cccc3c2CCNC3)CC1 ZINC000519815679 406258562 /nfs/dbraw/zinc/25/85/62/406258562.db2.gz ZIBUCQIQGYHVSL-UHFFFAOYSA-N 1 3 316.449 2.328 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000519923722 406268400 /nfs/dbraw/zinc/26/84/00/406268400.db2.gz JKURKVDOWNBUEV-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000519923722 406268406 /nfs/dbraw/zinc/26/84/06/406268406.db2.gz JKURKVDOWNBUEV-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)[C@H](N)c1ccccc1 ZINC000634753667 406266222 /nfs/dbraw/zinc/26/62/22/406266222.db2.gz KZVKUNXPIGJNDF-IMJJTQAJSA-N 1 3 303.450 2.217 20 0 DEADHO N[C@@H](CC(=O)N1C[C@@H](C[NH3+])Cc2ccccc21)c1ccccc1 ZINC000632868203 406299015 /nfs/dbraw/zinc/29/90/15/406299015.db2.gz GDKVDDVCWLJTPQ-PBHICJAKSA-N 1 3 309.413 2.241 20 0 DEADHO CCN1CCN(CCC[NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000522015065 406385994 /nfs/dbraw/zinc/38/59/94/406385994.db2.gz VRKJCRRATLMFRD-UHFFFAOYSA-N 1 3 300.450 2.285 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000522102301 406390757 /nfs/dbraw/zinc/39/07/57/406390757.db2.gz KPZGYIRDYWVRTL-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000522102301 406390761 /nfs/dbraw/zinc/39/07/61/406390761.db2.gz KPZGYIRDYWVRTL-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO [NH3+]C[C@H]1CC[C@H]([NH2+][C@H](c2nnc[n-]2)c2ccc(F)cc2)CC1 ZINC000635005908 406397871 /nfs/dbraw/zinc/39/78/71/406397871.db2.gz QFWZQOLJGMTWOZ-CQDKDKBSSA-N 1 3 303.385 2.140 20 0 DEADHO CCOC(=O)COc1ccc(CC[NH2+][C@@H]2CCC[C@H](N)C2)cc1 ZINC000569116028 292391705 /nfs/dbraw/zinc/39/17/05/292391705.db2.gz CSNMIKZNEYMGQR-JKSUJKDBSA-N 1 3 320.433 2.031 20 0 DEADHO CCOC(=O)COc1ccc(CCN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000569116028 292391708 /nfs/dbraw/zinc/39/17/08/292391708.db2.gz CSNMIKZNEYMGQR-JKSUJKDBSA-N 1 3 320.433 2.031 20 0 DEADHO COc1ccsc1[C@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000547433375 406410179 /nfs/dbraw/zinc/41/01/79/406410179.db2.gz YCAMXUMUFWYOSB-AWEZNQCLSA-N 1 3 311.495 2.435 20 0 DEADHO CC(C)O[C@@H]1C[C@H]([NH2+]CCCCN2CCN(C)CC2)C1(C)C ZINC000546614231 406366353 /nfs/dbraw/zinc/36/63/53/406366353.db2.gz LXWLJAJCFBWUCL-DLBZAZTESA-N 1 3 311.514 2.196 20 0 DEADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000571203648 406491623 /nfs/dbraw/zinc/49/16/23/406491623.db2.gz DPDFHVNMJAHTKY-TUKIKUTGSA-N 1 3 309.841 2.057 20 0 DEADHO CC1CCC(N2CCN(C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)CC2)CC1 ZINC000570817431 406443264 /nfs/dbraw/zinc/44/32/64/406443264.db2.gz WQFHNXYWVQCUGT-GMRIPVOYSA-N 1 3 322.497 2.020 20 0 DEADHO CC(C)CC[C@H](N)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000638063442 406551166 /nfs/dbraw/zinc/55/11/66/406551166.db2.gz NHICJMASPHIOHY-KRWDZBQOSA-N 1 3 321.465 2.007 20 0 DEADHO C[C@@H]1C[C@@H]([NH3+])CCN1CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000571696801 406554402 /nfs/dbraw/zinc/55/44/02/406554402.db2.gz OYMUGELBCFPGDY-UWWQBHOKSA-N 1 3 315.461 2.382 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)[C@H]2CCN2C2CCCC2)CC1 ZINC000635610020 406619607 /nfs/dbraw/zinc/61/96/07/406619607.db2.gz UAKXYMXWWGDLGL-QGZVFWFLSA-N 1 3 307.482 2.242 20 0 DEADHO CCN(CC)[C@H](CNC(=O)/C=C\C[NH+](C)C)c1ccsc1 ZINC000491624300 406637070 /nfs/dbraw/zinc/63/70/70/406637070.db2.gz BHIWKJYJOHGLCX-ZPIQOJFGSA-N 1 3 309.479 2.365 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC000635720597 406703171 /nfs/dbraw/zinc/70/31/71/406703171.db2.gz VNRWDKCTEQHTNV-MRXNPFEDSA-N 1 3 311.514 2.449 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC000635720597 406703177 /nfs/dbraw/zinc/70/31/77/406703177.db2.gz VNRWDKCTEQHTNV-MRXNPFEDSA-N 1 3 311.514 2.449 20 0 DEADHO Cn1c(C[NH2+]C[C@H](O)CN2CCCCC2)cc2ccccc21 ZINC000638412377 406756746 /nfs/dbraw/zinc/75/67/46/406756746.db2.gz OREDXYQCRHFAQX-KRWDZBQOSA-N 1 3 301.434 2.115 20 0 DEADHO [NH3+][C@H](CCC(=O)N[C@H]1CCN(CC2CC2)C1)c1ccccc1 ZINC000645953148 406719718 /nfs/dbraw/zinc/71/97/18/406719718.db2.gz FLHPVCWWGIGCSW-DLBZAZTESA-N 1 3 301.434 2.067 20 0 DEADHO CC(C)(C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[C@@H](N)c1ccccc1 ZINC000645953508 406720285 /nfs/dbraw/zinc/72/02/85/406720285.db2.gz WQSOPYWLBFCSKV-IRXDYDNUSA-N 1 3 315.461 2.313 20 0 DEADHO CC(C)(C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[C@@H](N)c1ccccc1 ZINC000645953508 406720296 /nfs/dbraw/zinc/72/02/96/406720296.db2.gz WQSOPYWLBFCSKV-IRXDYDNUSA-N 1 3 315.461 2.313 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCC[C@H](C[NH3+])C2)cc1 ZINC000572705742 406723706 /nfs/dbraw/zinc/72/37/06/406723706.db2.gz GGAFCVUXSODQQW-PBHICJAKSA-N 1 3 318.465 2.190 20 0 DEADHO CN(C)C/C=C\C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000491910933 406775253 /nfs/dbraw/zinc/77/52/53/406775253.db2.gz QROOMPJPRVWIDK-IEODJVTJSA-N 1 3 315.461 2.085 20 0 DEADHO CN(C)C/C=C\C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000491910933 406775257 /nfs/dbraw/zinc/77/52/57/406775257.db2.gz QROOMPJPRVWIDK-IEODJVTJSA-N 1 3 315.461 2.085 20 0 DEADHO C[C@@H](C(=O)N1CCC2(C1)CC[NH+](C)CC2)N1[C@H](C)CC[C@@H]1C ZINC000646250220 406826080 /nfs/dbraw/zinc/82/60/80/406826080.db2.gz JEAZIFZDXZVGKU-XHSDSOJGSA-N 1 3 307.482 2.192 20 0 DEADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000646409926 406859543 /nfs/dbraw/zinc/85/95/43/406859543.db2.gz FCIGSCJPYRXQKQ-SZMVWBNQSA-N 1 3 315.461 2.328 20 0 DEADHO C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000646409851 406859747 /nfs/dbraw/zinc/85/97/47/406859747.db2.gz AQGBZRMAYXIWDT-ZOBUZTSGSA-N 1 3 303.450 2.313 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)CC[C@@H]([NH3+])c2ccccc2)CN1C1CC1 ZINC000646530048 406878002 /nfs/dbraw/zinc/87/80/02/406878002.db2.gz NJIIXZIFXVAHAL-FRFSOERESA-N 1 3 301.434 2.208 20 0 DEADHO c1cc(CNCC2CC[NH+](C3CC3)CC2)n(-c2ccccn2)n1 ZINC000647207011 406971731 /nfs/dbraw/zinc/97/17/31/406971731.db2.gz QQWAVWKMPJBZIC-UHFFFAOYSA-N 1 3 311.433 2.231 20 0 DEADHO C[NH+](C)CCCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000643216662 406962324 /nfs/dbraw/zinc/96/23/24/406962324.db2.gz QYJROTPBOBDIPL-KRWDZBQOSA-N 1 3 318.465 2.074 20 0 DEADHO N[C@H]1CCC[C@H]1[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000643452193 407001350 /nfs/dbraw/zinc/00/13/50/407001350.db2.gz MEMKNLTWGOBPFZ-ZWKOTPCHSA-N 1 3 304.434 2.352 20 0 DEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCNCC1 ZINC000643456152 407002551 /nfs/dbraw/zinc/00/25/51/407002551.db2.gz KOIHUARCCASTSS-RYRKJORJSA-N 1 3 302.466 2.024 20 0 DEADHO C[C@H](C(=O)N1CCCCCC1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976719 407091384 /nfs/dbraw/zinc/09/13/84/407091384.db2.gz SLUHRTFINRMDNU-SQNIBIBYSA-N 1 3 321.509 2.489 20 0 DEADHO O=C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)NCC1CCCCC1 ZINC000647975131 407091514 /nfs/dbraw/zinc/09/15/14/407091514.db2.gz MJDDECWEJSZCFI-QZTJIDSGSA-N 1 3 321.509 2.395 20 0 DEADHO CN(C(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000647975208 407091644 /nfs/dbraw/zinc/09/16/44/407091644.db2.gz QIAPGHKPFUUZOP-IRXDYDNUSA-N 1 3 315.461 2.361 20 0 DEADHO C[C@@H]1CCCCN1C(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977148 407092291 /nfs/dbraw/zinc/09/22/91/407092291.db2.gz YKPCVSBEHGUUHW-IXDOHACOSA-N 1 3 307.482 2.099 20 0 DEADHO CNC(=O)c1cccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647977384 407092530 /nfs/dbraw/zinc/09/25/30/407092530.db2.gz ANYHHPCAZPANKZ-ROUUACIJSA-N 1 3 315.461 2.258 20 0 DEADHO O=C(C[NH2+]C1CCC(F)(F)CC1)NCCN1CCCCCC1 ZINC000648038432 407107090 /nfs/dbraw/zinc/10/70/90/407107090.db2.gz ZXSQCDOGFMLJIX-UHFFFAOYSA-N 1 3 317.424 2.146 20 0 DEADHO CC[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])C(=O)NCc1cccs1 ZINC000647802818 407053447 /nfs/dbraw/zinc/05/34/47/407053447.db2.gz VAECKSFAZUCLKG-AEGPPILISA-N 1 3 309.479 2.250 20 0 DEADHO O=C(CCN(C1CC1)C1CC[NH2+]CC1)Nc1cccc(F)c1 ZINC000647814496 407055421 /nfs/dbraw/zinc/05/54/21/407055421.db2.gz QIXJHBAHSBAQQB-UHFFFAOYSA-N 1 3 305.397 2.371 20 0 DEADHO O=C(CC[N@H+](C1CC1)C1CCNCC1)Nc1cccc(F)c1 ZINC000647814496 407055423 /nfs/dbraw/zinc/05/54/23/407055423.db2.gz QIXJHBAHSBAQQB-UHFFFAOYSA-N 1 3 305.397 2.371 20 0 DEADHO O=C(CC[N@@H+](C1CC1)C1CCNCC1)Nc1cccc(F)c1 ZINC000647814496 407055427 /nfs/dbraw/zinc/05/54/27/407055427.db2.gz QIXJHBAHSBAQQB-UHFFFAOYSA-N 1 3 305.397 2.371 20 0 DEADHO C[C@H]1CN(CCCCNc2[nH+]ccc3[nH]ccc32)C[C@H](C)O1 ZINC000647871894 407064792 /nfs/dbraw/zinc/06/47/92/407064792.db2.gz RERFHSSIXKXCQZ-KBPBESRZSA-N 1 3 302.422 2.286 20 0 DEADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C[C@@]2(C)CCCS2)CC1 ZINC000647910969 407073467 /nfs/dbraw/zinc/07/34/67/407073467.db2.gz MZDDDRVHJCETMW-DLBZAZTESA-N 1 3 311.539 2.374 20 0 DEADHO C[N@H+]1CCCC[C@H]1CN1CCN(C[C@@]2(C)CCCS2)CC1 ZINC000647910969 407073469 /nfs/dbraw/zinc/07/34/69/407073469.db2.gz MZDDDRVHJCETMW-DLBZAZTESA-N 1 3 311.539 2.374 20 0 DEADHO CC1(C)CN[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000644049730 407076943 /nfs/dbraw/zinc/07/69/43/407076943.db2.gz NVKBMJAPIYPRRC-OAHLLOKOSA-N 1 3 307.482 2.289 20 0 DEADHO CC[C@@H]1CN(CCC(=O)Nc2cc(F)cc(F)c2)CC[C@@H]1[NH3+] ZINC000647936380 407079281 /nfs/dbraw/zinc/07/92/81/407079281.db2.gz CJWWYVIIBAPMJC-ABAIWWIYSA-N 1 3 311.376 2.353 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000647961576 407086923 /nfs/dbraw/zinc/08/69/23/407086923.db2.gz RELROOAMLYXVJQ-HCXYKTFWSA-N 1 3 323.525 2.028 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000647961576 407086926 /nfs/dbraw/zinc/08/69/26/407086926.db2.gz RELROOAMLYXVJQ-HCXYKTFWSA-N 1 3 323.525 2.028 20 0 DEADHO C[C@@H](CNCCC(=O)Nc1ccccc1F)C[NH+]1CCCC1 ZINC000644525648 407135552 /nfs/dbraw/zinc/13/55/52/407135552.db2.gz QCNFIWBDSSRXIF-AWEZNQCLSA-N 1 3 307.413 2.476 20 0 DEADHO C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1F)CN1CCCC1 ZINC000644525648 407135554 /nfs/dbraw/zinc/13/55/54/407135554.db2.gz QCNFIWBDSSRXIF-AWEZNQCLSA-N 1 3 307.413 2.476 20 0 DEADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)COc2ccccc2F)CC1 ZINC000644525395 407135879 /nfs/dbraw/zinc/13/58/79/407135879.db2.gz DLGFCFUCEOUCRJ-OAHLLOKOSA-N 1 3 324.440 2.418 20 0 DEADHO CCCN(C(=O)NCC[NH+](C(C)C)C(C)C)[C@H]1CCN(C)C1 ZINC000645108144 407232386 /nfs/dbraw/zinc/23/23/86/407232386.db2.gz UHHJJFCXFXPVRF-INIZCTEOSA-N 1 3 312.502 2.231 20 0 DEADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C1CCN(C2CC2)CC1 ZINC000362826390 286792522 /nfs/dbraw/zinc/79/25/22/286792522.db2.gz NMXBFAGQJSYQDX-AWEZNQCLSA-N 1 3 307.482 2.050 20 0 DEADHO N[C@H]1CCC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)C1 ZINC000570294366 292475103 /nfs/dbraw/zinc/47/51/03/292475103.db2.gz RFSFHONLMZXAKH-DZGCQCFKSA-N 1 3 319.424 2.290 20 0 DEADHO CC[C@@H]1CCCC[C@@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414205334 287036797 /nfs/dbraw/zinc/03/67/97/287036797.db2.gz XKUVTDPCPGFFDO-MSOLQXFVSA-N 1 3 323.525 2.341 20 0 DEADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CNCc2ccccc21 ZINC000570799021 292507356 /nfs/dbraw/zinc/50/73/56/292507356.db2.gz BAJSSSRTGQUWRZ-RDTXWAMCSA-N 1 3 315.461 2.062 20 0 DEADHO C[C@@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1CCOC1 ZINC000132636318 196273033 /nfs/dbraw/zinc/27/30/33/196273033.db2.gz YIWDNWSOCVUETD-CRAIPNDOSA-N 1 3 318.461 2.158 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000290090207 287321840 /nfs/dbraw/zinc/32/18/40/287321840.db2.gz WSSIQDVVUJLEDR-SQNIBIBYSA-N 1 3 315.461 2.328 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H](C)NC/C=C/Cl)C1 ZINC001423129044 1173098134 /nfs/dbraw/zinc/09/81/34/1173098134.db2.gz VOYIKWYPCCFUHV-ODYMAQSMSA-N 1 3 315.889 2.297 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@H](C)NC/C=C/Cl)C1 ZINC001423129044 1173098136 /nfs/dbraw/zinc/09/81/36/1173098136.db2.gz VOYIKWYPCCFUHV-ODYMAQSMSA-N 1 3 315.889 2.297 20 0 DEADHO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000296599220 226034949 /nfs/dbraw/zinc/03/49/49/226034949.db2.gz YGTVPDIKDYDXSX-CRAIPNDOSA-N 1 3 319.518 2.275 20 0 DEADHO C[NH+](C)CCCOc1cnccc1CN[C@@H]1COC(C)(C)C1 ZINC000418057138 229204906 /nfs/dbraw/zinc/20/49/06/229204906.db2.gz FXFFDWLUAWOCEZ-HNNXBMFYSA-N 1 3 307.438 2.069 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC[C@@H]([NH3+])C1)N(C)C ZINC000418185770 229260565 /nfs/dbraw/zinc/26/05/65/229260565.db2.gz RHLUGRKVARIERL-INMHGKMJSA-N 1 3 318.465 2.119 20 0 DEADHO CN(C)CCN(C(=O)N[C@@H](C[NH3+])C1CCCCC1)C1CCCC1 ZINC000418354152 229322038 /nfs/dbraw/zinc/32/20/38/229322038.db2.gz DMNNTDDVOQTIGT-KRWDZBQOSA-N 1 3 324.513 2.410 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000422007638 230048109 /nfs/dbraw/zinc/04/81/09/230048109.db2.gz NUZVBZOAULWWOB-UHFFFAOYSA-N 1 3 303.450 2.351 20 0 DEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCS(=O)(=O)Cc1ccccc1 ZINC000422709838 230171529 /nfs/dbraw/zinc/17/15/29/230171529.db2.gz KZHNDRPSUCVGRK-SJORKVTESA-N 1 3 324.490 2.099 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCCS(=O)(=O)Cc1ccccc1 ZINC000422709838 230171536 /nfs/dbraw/zinc/17/15/36/230171536.db2.gz KZHNDRPSUCVGRK-SJORKVTESA-N 1 3 324.490 2.099 20 0 DEADHO COCCN(C)CC[C@@H](N[C@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422722758 230176583 /nfs/dbraw/zinc/17/65/83/230176583.db2.gz YXMKHJCVANFLST-BHIYHBOVSA-N 1 3 319.493 2.426 20 0 DEADHO Cc1cc(C)n(CCCN[C@H](Cc2ccccc2)[C@H](C)[NH3+])n1 ZINC000422768715 230200423 /nfs/dbraw/zinc/20/04/23/230200423.db2.gz ZQPQPFGCUUURSD-FUHWJXTLSA-N 1 3 300.450 2.438 20 0 DEADHO c1ccc(OCCCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422779538 230204237 /nfs/dbraw/zinc/20/42/37/230204237.db2.gz BXHGXZSBBNLDPV-RCCFBDPRSA-N 1 3 304.434 2.202 20 0 DEADHO CO[C@H](CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000422776926 230204440 /nfs/dbraw/zinc/20/44/40/230204440.db2.gz BGJPYUXWVZJGJD-AEAUEXCSSA-N 1 3 312.841 2.369 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1cccc(Br)c1 ZINC000422937015 230285944 /nfs/dbraw/zinc/28/59/44/230285944.db2.gz NMSGRQOQMDWHNV-LEWSCRJBSA-N 1 3 313.239 2.291 20 0 DEADHO O=C(NCCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1cccs1 ZINC000422958724 230295102 /nfs/dbraw/zinc/29/51/02/230295102.db2.gz YWWDMHFKJKOUOW-RRFJBIMHSA-N 1 3 321.490 2.378 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCOCc1ccc(Cl)cc1 ZINC000423001812 230313100 /nfs/dbraw/zinc/31/31/00/230313100.db2.gz ILVIXSJJGMFBGM-RCBQFDQVSA-N 1 3 312.841 2.199 20 0 DEADHO C[C@@H](CCC[NH3+])NCC(=O)Nc1cccc(Br)c1 ZINC000423037365 230325994 /nfs/dbraw/zinc/32/59/94/230325994.db2.gz BGKKVVOQDJIACI-JTQLQIEISA-N 1 3 314.227 2.105 20 0 DEADHO FC(F)C(F)(F)COCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423069193 230337200 /nfs/dbraw/zinc/33/72/00/230337200.db2.gz AOLFCNVYWHVYAQ-QJPTWQEYSA-N 1 3 312.351 2.414 20 0 DEADHO Cc1cccc(OCCC[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)c1C ZINC000423088519 230344720 /nfs/dbraw/zinc/34/47/20/230344720.db2.gz QJUVFNVLTOUHRV-GVDBMIGSSA-N 1 3 306.450 2.414 20 0 DEADHO Cc1cccc(OCCCN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])c1C ZINC000423088519 230344724 /nfs/dbraw/zinc/34/47/24/230344724.db2.gz QJUVFNVLTOUHRV-GVDBMIGSSA-N 1 3 306.450 2.414 20 0 DEADHO C[C@@H](NCCc1cnc(SC2CCCC2)nc1)C1C[NH2+]C1 ZINC000423133496 230360577 /nfs/dbraw/zinc/36/05/77/230360577.db2.gz KUYUXHZZRMRZQY-GFCCVEGCSA-N 1 3 306.479 2.251 20 0 DEADHO C[C@@H]([NH2+]CCc1cnc(SC2CCCC2)nc1)C1CNC1 ZINC000423133496 230360580 /nfs/dbraw/zinc/36/05/80/230360580.db2.gz KUYUXHZZRMRZQY-GFCCVEGCSA-N 1 3 306.479 2.251 20 0 DEADHO C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000447970800 533685221 /nfs/dbraw/zinc/68/52/21/533685221.db2.gz GVHUWGSGCNISRA-CVEARBPZSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000447970800 533685232 /nfs/dbraw/zinc/68/52/32/533685232.db2.gz GVHUWGSGCNISRA-CVEARBPZSA-N 1 3 324.513 2.138 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000380947000 424909012 /nfs/dbraw/zinc/90/90/12/424909012.db2.gz PHERICSAWQQECX-NXHRZFHOSA-N 1 3 317.477 2.388 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000380947000 424909015 /nfs/dbraw/zinc/90/90/15/424909015.db2.gz PHERICSAWQQECX-NXHRZFHOSA-N 1 3 317.477 2.388 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CN1Cc1ccccc1 ZINC000648821447 424912020 /nfs/dbraw/zinc/91/20/20/424912020.db2.gz OOUZYYSVTZUKIH-JOCBIADPSA-N 1 3 315.461 2.106 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CN1Cc1ccccc1 ZINC000648821447 424912021 /nfs/dbraw/zinc/91/20/21/424912021.db2.gz OOUZYYSVTZUKIH-JOCBIADPSA-N 1 3 315.461 2.106 20 0 DEADHO Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@@H](C)CN1CCCC1 ZINC000390003880 424916928 /nfs/dbraw/zinc/91/69/28/424916928.db2.gz KXMKEEOJLJCYBU-QAPCUYQASA-N 1 3 320.477 2.365 20 0 DEADHO c1cn(Cc2ccccc2)nc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401058357 424923398 /nfs/dbraw/zinc/92/33/98/424923398.db2.gz FELPBWXQRSHSPE-OKZBNKHCSA-N 1 3 310.445 2.409 20 0 DEADHO c1cn(Cc2ccccc2)nc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401058361 424923465 /nfs/dbraw/zinc/92/34/65/424923465.db2.gz FELPBWXQRSHSPE-RCCFBDPRSA-N 1 3 310.445 2.409 20 0 DEADHO O=C(C[C@H]1CC[NH2+]C1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000249577557 424887606 /nfs/dbraw/zinc/88/76/06/424887606.db2.gz PWJULMKDVDOJIR-MSOLQXFVSA-N 1 3 315.461 2.157 20 0 DEADHO COC[C@]1(C)CC[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000648643322 424890760 /nfs/dbraw/zinc/89/07/60/424890760.db2.gz APSSSRJCLOHVJD-GOSISDBHSA-N 1 3 306.450 2.485 20 0 DEADHO COC[C@]1(C)CC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000648643322 424890761 /nfs/dbraw/zinc/89/07/61/424890761.db2.gz APSSSRJCLOHVJD-GOSISDBHSA-N 1 3 306.450 2.485 20 0 DEADHO CC(C)([NH3+])CCC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000309579366 424893274 /nfs/dbraw/zinc/89/32/74/424893274.db2.gz UDNYLPCLIAFXEQ-INIZCTEOSA-N 1 3 303.450 2.285 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@H](c2cccs2)N2CCCC2)CC[N@@H+]1C ZINC000648719859 424897482 /nfs/dbraw/zinc/89/74/82/424897482.db2.gz OUAAIWIRMUMQBZ-RBSFLKMASA-N 1 3 321.490 2.341 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@H](c2cccs2)N2CCCC2)CC[N@H+]1C ZINC000648719859 424897484 /nfs/dbraw/zinc/89/74/84/424897484.db2.gz OUAAIWIRMUMQBZ-RBSFLKMASA-N 1 3 321.490 2.341 20 0 DEADHO CC[C@@H](C)N[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccco1 ZINC000649220134 424970959 /nfs/dbraw/zinc/97/09/59/424970959.db2.gz CBFYTBPPKVTMTB-TUVASFSCSA-N 1 3 307.438 2.165 20 0 DEADHO CC[C@@H](C)N[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccco1 ZINC000649220134 424970963 /nfs/dbraw/zinc/97/09/63/424970963.db2.gz CBFYTBPPKVTMTB-TUVASFSCSA-N 1 3 307.438 2.165 20 0 DEADHO NCc1cn([C@H]2CCC[N@H+](Cc3cccc4c3CCC4)C2)nn1 ZINC000650704336 425038366 /nfs/dbraw/zinc/03/83/66/425038366.db2.gz UMPJVRASUMGONH-KRWDZBQOSA-N 1 3 311.433 2.063 20 0 DEADHO NCc1cn([C@H]2CCC[N@@H+](Cc3cccc4c3CCC4)C2)nn1 ZINC000650704336 425038368 /nfs/dbraw/zinc/03/83/68/425038368.db2.gz UMPJVRASUMGONH-KRWDZBQOSA-N 1 3 311.433 2.063 20 0 DEADHO [NH3+]CC1(CCNCc2cn(-c3ccc(F)cc3Cl)nn2)CC1 ZINC000650712522 425041277 /nfs/dbraw/zinc/04/12/77/425041277.db2.gz HYXQRVJZOYNUDV-UHFFFAOYSA-N 1 3 323.803 2.278 20 0 DEADHO CC(C)O[C@@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000649702722 425065163 /nfs/dbraw/zinc/06/51/63/425065163.db2.gz LRNYFPPXXJDJBX-GOSISDBHSA-N 1 3 311.514 2.292 20 0 DEADHO CC(C)O[C@@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000649702722 425065165 /nfs/dbraw/zinc/06/51/65/425065165.db2.gz LRNYFPPXXJDJBX-GOSISDBHSA-N 1 3 311.514 2.292 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000651063198 425095944 /nfs/dbraw/zinc/09/59/44/425095944.db2.gz YVQKIQRFCJZWHN-QGZVFWFLSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000651063198 425095947 /nfs/dbraw/zinc/09/59/47/425095947.db2.gz YVQKIQRFCJZWHN-QGZVFWFLSA-N 1 3 324.513 2.280 20 0 DEADHO CCCN(C(=O)NCCC[N@H+](C)CC(C)C)[C@H]1CCN(C)C1 ZINC000651196825 425114550 /nfs/dbraw/zinc/11/45/50/425114550.db2.gz OHUMTWVJOUTAPB-INIZCTEOSA-N 1 3 312.502 2.090 20 0 DEADHO CCCN(C(=O)NCCC[N@@H+](C)CC(C)C)[C@H]1CCN(C)C1 ZINC000651196825 425114552 /nfs/dbraw/zinc/11/45/52/425114552.db2.gz OHUMTWVJOUTAPB-INIZCTEOSA-N 1 3 312.502 2.090 20 0 DEADHO C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1ccccc1)C1CCN(C)CC1 ZINC000651456576 425135524 /nfs/dbraw/zinc/13/55/24/425135524.db2.gz WDZDQPLMDNTIRW-CVEARBPZSA-N 1 3 317.477 2.054 20 0 DEADHO Cc1cccc2c1C[NH2+]CCN2Cc1nc2c(s1)CNCC2 ZINC000663498217 425172348 /nfs/dbraw/zinc/17/23/48/425172348.db2.gz ROVIQVWXPDWSLS-UHFFFAOYSA-N 1 3 314.458 2.207 20 0 DEADHO C(c1nc2c(s1)CNCC2)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000663494108 425173049 /nfs/dbraw/zinc/17/30/49/425173049.db2.gz MHHFLILUNHAHRL-ZIAGYGMSSA-N 1 3 320.506 2.000 20 0 DEADHO C[NH2+]CCCC(=O)N1CCC(NCc2cc(C)ccc2F)CC1 ZINC000663503843 425175218 /nfs/dbraw/zinc/17/52/18/425175218.db2.gz NKWQUXHXTSTOLG-UHFFFAOYSA-N 1 3 321.440 2.214 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000666760841 425177420 /nfs/dbraw/zinc/17/74/20/425177420.db2.gz OMYJDFIDKJXQJQ-GVDBMIGSSA-N 1 3 324.513 2.231 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000666760841 425177422 /nfs/dbraw/zinc/17/74/22/425177422.db2.gz OMYJDFIDKJXQJQ-GVDBMIGSSA-N 1 3 324.513 2.231 20 0 DEADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000660633058 425183250 /nfs/dbraw/zinc/18/32/50/425183250.db2.gz BFEPYXASWLHYIU-LSDHHAIUSA-N 1 3 310.486 2.033 20 0 DEADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000660633058 425183253 /nfs/dbraw/zinc/18/32/53/425183253.db2.gz BFEPYXASWLHYIU-LSDHHAIUSA-N 1 3 310.486 2.033 20 0 DEADHO NCc1cccc(NC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663595618 425194949 /nfs/dbraw/zinc/19/49/49/425194949.db2.gz IAKCXPHEWGVGOQ-MRXNPFEDSA-N 1 3 316.449 2.389 20 0 DEADHO NCc1cccc(NC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663595618 425194953 /nfs/dbraw/zinc/19/49/53/425194953.db2.gz IAKCXPHEWGVGOQ-MRXNPFEDSA-N 1 3 316.449 2.389 20 0 DEADHO OC[C@@H](CCF)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000652303434 425236154 /nfs/dbraw/zinc/23/61/54/425236154.db2.gz XAVWWUHPTYSKJX-ZJPYXAASSA-N 1 3 306.425 2.492 20 0 DEADHO OC[C@@H](CCF)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000652303434 425236158 /nfs/dbraw/zinc/23/61/58/425236158.db2.gz XAVWWUHPTYSKJX-ZJPYXAASSA-N 1 3 306.425 2.492 20 0 DEADHO CCN(C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1)[C@H]1CCN(C)C1 ZINC000663799629 425237981 /nfs/dbraw/zinc/23/79/81/425237981.db2.gz DUJCHIIKZHHEPQ-VQHPVUNQSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000660824678 425247691 /nfs/dbraw/zinc/24/76/91/425247691.db2.gz PJCPCEPWPRIMCG-SJORKVTESA-N 1 3 324.513 2.280 20 0 DEADHO [NH3+]CCC1CCN([C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000652359706 425250015 /nfs/dbraw/zinc/25/00/15/425250015.db2.gz QOFUNXJRSQACAP-QGZVFWFLSA-N 1 3 301.434 2.243 20 0 DEADHO C[C@@H](CNC(=O)NC[C@@H]1CCN1C(C)(C)C)[NH+]1CCC(C)CC1 ZINC000660846794 425255666 /nfs/dbraw/zinc/25/56/66/425255666.db2.gz IRPYAIYMZOYQSL-HOTGVXAUSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000660852903 425256556 /nfs/dbraw/zinc/25/65/56/425256556.db2.gz LAUBGJKTNAIHSC-HZPDHXFCSA-N 1 3 324.513 2.136 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCCC[NH+](C(C)C)C(C)C)C1 ZINC000660864175 425260955 /nfs/dbraw/zinc/26/09/55/425260955.db2.gz OULOZYYNZMFWMH-INIZCTEOSA-N 1 3 312.502 2.279 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000663703880 425217489 /nfs/dbraw/zinc/21/74/89/425217489.db2.gz JXYOPPROEDRAAQ-PMPSAXMXSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000663703880 425217492 /nfs/dbraw/zinc/21/74/92/425217492.db2.gz JXYOPPROEDRAAQ-PMPSAXMXSA-N 1 3 312.502 2.136 20 0 DEADHO CC[NH+](CC)CCCNC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654347003 425330423 /nfs/dbraw/zinc/33/04/23/425330423.db2.gz OLFQLHMDFTZUML-JKSUJKDBSA-N 1 3 310.486 2.034 20 0 DEADHO CC[C@@H]1C[C@@H](NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CO1 ZINC000657430664 425331544 /nfs/dbraw/zinc/33/15/44/425331544.db2.gz USCRRRZGKQHYJC-GUDVDZBRSA-N 1 3 318.461 2.300 20 0 DEADHO CC[C@@H]1C[C@@H](NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)CO1 ZINC000657430664 425331547 /nfs/dbraw/zinc/33/15/47/425331547.db2.gz USCRRRZGKQHYJC-GUDVDZBRSA-N 1 3 318.461 2.300 20 0 DEADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@@H]3CCCNC3=O)CC2)C1 ZINC000657283088 425292231 /nfs/dbraw/zinc/29/22/31/425292231.db2.gz LSTWXSHQKUQLJL-VYDXJSESSA-N 1 3 307.482 2.145 20 0 DEADHO C[N@@H+]1CCCN(CCCNCc2ccc(F)c(F)c2F)CC1 ZINC000657350729 425311476 /nfs/dbraw/zinc/31/14/76/425311476.db2.gz YERKUHZORMAMOV-UHFFFAOYSA-N 1 3 315.383 2.221 20 0 DEADHO C[N@H+]1CCCN(CCCNCc2ccc(F)c(F)c2F)CC1 ZINC000657350729 425311478 /nfs/dbraw/zinc/31/14/78/425311478.db2.gz YERKUHZORMAMOV-UHFFFAOYSA-N 1 3 315.383 2.221 20 0 DEADHO CC[NH+](CC)C[C@H](C)NC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000654405672 425345187 /nfs/dbraw/zinc/34/51/87/425345187.db2.gz ACNAMRXSIBRLOW-HNNXBMFYSA-N 1 3 312.502 2.233 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000661198192 425347670 /nfs/dbraw/zinc/34/76/70/425347670.db2.gz LKUZEJPEOGLBIN-CABCVRRESA-N 1 3 312.502 2.279 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000661198192 425347675 /nfs/dbraw/zinc/34/76/75/425347675.db2.gz LKUZEJPEOGLBIN-CABCVRRESA-N 1 3 312.502 2.279 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000661370757 425392396 /nfs/dbraw/zinc/39/23/96/425392396.db2.gz TWIYBSKIWNCWIW-HRCADAONSA-N 1 3 322.497 2.175 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000661370757 425392399 /nfs/dbraw/zinc/39/23/99/425392399.db2.gz TWIYBSKIWNCWIW-HRCADAONSA-N 1 3 322.497 2.175 20 0 DEADHO CCC[NH+]1CCC(CNC(=O)NC[C@@H]2CCN2C(C)(C)C)CC1 ZINC000661401104 425397738 /nfs/dbraw/zinc/39/77/38/425397738.db2.gz NNJSNBMYWLISQX-INIZCTEOSA-N 1 3 324.513 2.280 20 0 DEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000653140284 425415658 /nfs/dbraw/zinc/41/56/58/425415658.db2.gz UFMSFISAHDPYDD-INIZCTEOSA-N 1 3 321.440 2.106 20 0 DEADHO C[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)C(C)(C)C(F)F ZINC000657881634 425412916 /nfs/dbraw/zinc/41/29/16/425412916.db2.gz XVOLORRWWNVBFM-STQMWFEESA-N 1 3 303.441 2.424 20 0 DEADHO C[NH+]1CCC(C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)CC1 ZINC000652940401 425362928 /nfs/dbraw/zinc/36/29/28/425362928.db2.gz JDKZQRUGCBNGNC-IBGZPJMESA-N 1 3 315.461 2.109 20 0 DEADHO CCC[N@H+](C)CC(C)(C)NC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000664367112 425371034 /nfs/dbraw/zinc/37/10/34/425371034.db2.gz HBAKMMXQGAHTCD-KBPBESRZSA-N 1 3 310.486 2.031 20 0 DEADHO CCC[N@@H+](C)CC(C)(C)NC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000664367112 425371036 /nfs/dbraw/zinc/37/10/36/425371036.db2.gz HBAKMMXQGAHTCD-KBPBESRZSA-N 1 3 310.486 2.031 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000654730191 425425535 /nfs/dbraw/zinc/42/55/35/425425535.db2.gz MPVRSASJZINSPM-ZACQAIPSSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H](NCC1CC[NH+](C2CCOCC2)CC1)c1ccncn1 ZINC000658071101 425434446 /nfs/dbraw/zinc/43/44/46/425434446.db2.gz UKFDOKRGEZHFPW-AWEZNQCLSA-N 1 3 304.438 2.018 20 0 DEADHO CCC[N@H+](C)CC(C)(C)NC(=O)C[C@H]1NCc2ccccc21 ZINC000664719742 425442221 /nfs/dbraw/zinc/44/22/21/425442221.db2.gz XHSXKXDSFDZZFF-MRXNPFEDSA-N 1 3 303.450 2.458 20 0 DEADHO CCC[N@@H+](C)CC(C)(C)NC(=O)C[C@H]1NCc2ccccc21 ZINC000664719742 425442226 /nfs/dbraw/zinc/44/22/26/425442226.db2.gz XHSXKXDSFDZZFF-MRXNPFEDSA-N 1 3 303.450 2.458 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)NCC[C@H](C)[NH+](C)C)c1ccco1 ZINC000664874608 425472623 /nfs/dbraw/zinc/47/26/23/425472623.db2.gz MWJKWGLXTVWASF-SOUVJXGZSA-N 1 3 324.469 2.348 20 0 DEADHO CN(C[C@@H]1CCCN1C)C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655152450 425508882 /nfs/dbraw/zinc/50/88/82/425508882.db2.gz PRRMTMHOCBFVNS-ROUUACIJSA-N 1 3 315.461 2.061 20 0 DEADHO CN(C[C@@H]1CCCN1C)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655152450 425508885 /nfs/dbraw/zinc/50/88/85/425508885.db2.gz PRRMTMHOCBFVNS-ROUUACIJSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)Nc1cccc(C[NH3+])c1 ZINC000659018124 425521266 /nfs/dbraw/zinc/52/12/66/425521266.db2.gz LJPJUBMGJWFRQD-CQSZACIVSA-N 1 3 304.438 2.387 20 0 DEADHO CN(C)[C@@H](CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000655245359 425521708 /nfs/dbraw/zinc/52/17/08/425521708.db2.gz LAPLMFCQCIIVRR-UAGQMJEPSA-N 1 3 303.450 2.136 20 0 DEADHO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC1(N)CCCC1 ZINC000665249050 425528061 /nfs/dbraw/zinc/52/80/61/425528061.db2.gz IIZKYODDTXEOHO-RDJZCZTQSA-N 1 3 302.466 2.153 20 0 DEADHO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NCC1([NH3+])CCCC1 ZINC000665249050 425528063 /nfs/dbraw/zinc/52/80/63/425528063.db2.gz IIZKYODDTXEOHO-RDJZCZTQSA-N 1 3 302.466 2.153 20 0 DEADHO COC[C@@H](CCC[NH3+])NCc1cc(-c2ccc(OC)cc2)no1 ZINC000665261413 425532031 /nfs/dbraw/zinc/53/20/31/425532031.db2.gz BUPYILQUZICWBY-CQSZACIVSA-N 1 3 319.405 2.194 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H](C3CCC3)C2)CC1 ZINC000665286874 425536013 /nfs/dbraw/zinc/53/60/13/425536013.db2.gz WOEJVBSQROVHKS-MRXNPFEDSA-N 1 3 307.482 2.097 20 0 DEADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000665364423 425554074 /nfs/dbraw/zinc/55/40/74/425554074.db2.gz PUNOXJCYGZOGGW-OAGGEKHMSA-N 1 3 322.497 2.127 20 0 DEADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000665364423 425554077 /nfs/dbraw/zinc/55/40/77/425554077.db2.gz PUNOXJCYGZOGGW-OAGGEKHMSA-N 1 3 322.497 2.127 20 0 DEADHO CC(C)(C)N1CC[C@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000665365641 425554636 /nfs/dbraw/zinc/55/46/36/425554636.db2.gz IJTGRTARWGMTSW-JKSUJKDBSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)(C)N1CC[C@H]1CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000665365714 425554959 /nfs/dbraw/zinc/55/49/59/425554959.db2.gz JUXMBSZRURLQFU-HNNXBMFYSA-N 1 3 324.513 2.375 20 0 DEADHO CC(C)(C)N1CC[C@H]1CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000665365714 425554962 /nfs/dbraw/zinc/55/49/62/425554962.db2.gz JUXMBSZRURLQFU-HNNXBMFYSA-N 1 3 324.513 2.375 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2NCc3ccccc32)[C@@H](C)C1 ZINC000659259971 425562186 /nfs/dbraw/zinc/56/21/86/425562186.db2.gz CTHLJRDBQUVDOV-QGTPRVQTSA-N 1 3 315.461 2.410 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2NCc3ccccc32)[C@@H](C)C1 ZINC000659259971 425562189 /nfs/dbraw/zinc/56/21/89/425562189.db2.gz CTHLJRDBQUVDOV-QGTPRVQTSA-N 1 3 315.461 2.410 20 0 DEADHO C[C@@H]1C[C@@H](N(C)C(=O)C[C@H]2NCc3ccccc32)CC[N@@H+]1C ZINC000659264933 425563703 /nfs/dbraw/zinc/56/37/03/425563703.db2.gz WLJNKYVRKCDYLO-UKPHBRMFSA-N 1 3 301.434 2.162 20 0 DEADHO C[C@@H]1C[C@@H](N(C)C(=O)C[C@H]2NCc3ccccc32)CC[N@H+]1C ZINC000659264933 425563705 /nfs/dbraw/zinc/56/37/05/425563705.db2.gz WLJNKYVRKCDYLO-UKPHBRMFSA-N 1 3 301.434 2.162 20 0 DEADHO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)C[C@@H]1NCc2ccccc21 ZINC000659325974 425578166 /nfs/dbraw/zinc/57/81/66/425578166.db2.gz PSOPLSXHTGTISV-OALUTQOASA-N 1 3 321.424 2.306 20 0 DEADHO CCC1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000665639241 425610967 /nfs/dbraw/zinc/61/09/67/425610967.db2.gz RILBZKLMGSHUOT-HNNXBMFYSA-N 1 3 312.502 2.090 20 0 DEADHO CCC1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000665639241 425610970 /nfs/dbraw/zinc/61/09/70/425610970.db2.gz RILBZKLMGSHUOT-HNNXBMFYSA-N 1 3 312.502 2.090 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H](C)c1ccco1 ZINC000665640518 425611183 /nfs/dbraw/zinc/61/11/83/425611183.db2.gz WPSCEXQNLJQCIX-GJZGRUSLSA-N 1 3 324.469 2.254 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H](C)c1ccco1 ZINC000665640518 425611184 /nfs/dbraw/zinc/61/11/84/425611184.db2.gz WPSCEXQNLJQCIX-GJZGRUSLSA-N 1 3 324.469 2.254 20 0 DEADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000665555522 425594959 /nfs/dbraw/zinc/59/49/59/425594959.db2.gz FWLVDGVKIKFSKU-HZPDHXFCSA-N 1 3 324.513 2.375 20 0 DEADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000665555522 425594963 /nfs/dbraw/zinc/59/49/63/425594963.db2.gz FWLVDGVKIKFSKU-HZPDHXFCSA-N 1 3 324.513 2.375 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCN(C(C)(C)C)C2)[C@@H](C)C1 ZINC000665554353 425595165 /nfs/dbraw/zinc/59/51/65/425595165.db2.gz KOXAYGRGVRLCFW-JYJNAYRXSA-N 1 3 324.513 2.231 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCN(C(C)(C)C)C2)[C@@H](C)C1 ZINC000665554353 425595169 /nfs/dbraw/zinc/59/51/69/425595169.db2.gz KOXAYGRGVRLCFW-JYJNAYRXSA-N 1 3 324.513 2.231 20 0 DEADHO C[C@H](c1ccco1)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665640519 425611372 /nfs/dbraw/zinc/61/13/72/425611372.db2.gz WPSCEXQNLJQCIX-LSDHHAIUSA-N 1 3 324.469 2.254 20 0 DEADHO C[C@H](c1ccco1)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665640519 425611375 /nfs/dbraw/zinc/61/13/75/425611375.db2.gz WPSCEXQNLJQCIX-LSDHHAIUSA-N 1 3 324.469 2.254 20 0 DEADHO c1csc(CN(C[C@H]2CCCO2)C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662248516 425600088 /nfs/dbraw/zinc/60/00/88/425600088.db2.gz DWFZINGUHAFTOI-CABCVRRESA-N 1 3 322.474 2.250 20 0 DEADHO COCCN(C[C@H]1CCC2(C[NH2+]C2)O1)[C@H](C)c1ccccc1 ZINC000662251559 425601268 /nfs/dbraw/zinc/60/12/68/425601268.db2.gz GXXHWOYVXGYZCL-NVXWUHKLSA-N 1 3 304.434 2.217 20 0 DEADHO c1ccc(CN(C[C@H]2CCCO2)C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662253008 425602418 /nfs/dbraw/zinc/60/24/18/425602418.db2.gz FZLHIWZQPZUFBP-QZTJIDSGSA-N 1 3 316.445 2.189 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C)C[NH2+]C)c1ccsc1 ZINC000659435191 425603146 /nfs/dbraw/zinc/60/31/46/425603146.db2.gz VQSNCXRMKDKWRK-GXTWGEPZSA-N 1 3 312.483 2.038 20 0 DEADHO c1ccc(C[C@H]2CCC[N@@H+](C[C@@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662255732 425603601 /nfs/dbraw/zinc/60/36/01/425603601.db2.gz CVINKNPDAAUNOP-MSOLQXFVSA-N 1 3 300.446 2.462 20 0 DEADHO c1ccc(C[C@H]2CCC[N@H+](C[C@@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662255732 425603604 /nfs/dbraw/zinc/60/36/04/425603604.db2.gz CVINKNPDAAUNOP-MSOLQXFVSA-N 1 3 300.446 2.462 20 0 DEADHO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCC3(CNC3)O2)C1(CC)CC ZINC000662259356 425604859 /nfs/dbraw/zinc/60/48/59/425604859.db2.gz VPKGWXFTBYPMFP-BZUAXINKSA-N 1 3 310.482 2.423 20 0 DEADHO CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CCC3(CNC3)O2)C1(CC)CC ZINC000662259356 425604863 /nfs/dbraw/zinc/60/48/63/425604863.db2.gz VPKGWXFTBYPMFP-BZUAXINKSA-N 1 3 310.482 2.423 20 0 DEADHO C([C@H]1CCC2(CNC2)O1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000662261321 425606035 /nfs/dbraw/zinc/60/60/35/425606035.db2.gz HRKQONRHIRVFGJ-QZTJIDSGSA-N 1 3 321.509 2.095 20 0 DEADHO CCCCN(C)CCNC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659454508 425607881 /nfs/dbraw/zinc/60/78/81/425607881.db2.gz JSDVKAGQGZRLHL-QGZVFWFLSA-N 1 3 324.513 2.140 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@]1(C)CC=CCC1 ZINC000665764272 425643096 /nfs/dbraw/zinc/64/30/96/425643096.db2.gz ZVGLJSQTANJGFO-RDJZCZTQSA-N 1 3 310.486 2.056 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@]1(C)CC=CCC1 ZINC000665764272 425643100 /nfs/dbraw/zinc/64/31/00/425643100.db2.gz ZVGLJSQTANJGFO-RDJZCZTQSA-N 1 3 310.486 2.056 20 0 DEADHO C[C@H](CNC(=O)C[C@H]1NCc2ccccc21)[NH+]1CCC(C)CC1 ZINC000662416562 425645796 /nfs/dbraw/zinc/64/57/96/425645796.db2.gz CZMVHMLVDZYWGS-CRAIPNDOSA-N 1 3 315.461 2.458 20 0 DEADHO CC(C)[N@H+](C)CC1CCN([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000659877106 425679417 /nfs/dbraw/zinc/67/94/17/425679417.db2.gz PTEFMPCKQNSDHN-OKZBNKHCSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000659877106 425679420 /nfs/dbraw/zinc/67/94/20/425679420.db2.gz PTEFMPCKQNSDHN-OKZBNKHCSA-N 1 3 321.509 2.486 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)c2cc3c(s2)CCNC3)CC1 ZINC000662475278 425661851 /nfs/dbraw/zinc/66/18/51/425661851.db2.gz CJYQVYNDQDDMII-UHFFFAOYSA-N 1 3 321.490 2.246 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C[C@@H]3NCc4ccccc43)CC[C@H]21 ZINC000662503170 425666710 /nfs/dbraw/zinc/66/67/10/425666710.db2.gz QAIFIFATKXDWKZ-BPQIPLTHSA-N 1 3 313.445 2.164 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C[C@@H]3NCc4ccccc43)CC[C@H]21 ZINC000662503170 425666713 /nfs/dbraw/zinc/66/67/13/425666713.db2.gz QAIFIFATKXDWKZ-BPQIPLTHSA-N 1 3 313.445 2.164 20 0 DEADHO C[C@@H]1CCCCN1C(=O)CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290428 425613625 /nfs/dbraw/zinc/61/36/25/425613625.db2.gz UXJBXPUNIWWYFP-NVXWUHKLSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H](NC(=O)NCC1([NH3+])CCCC1)[C@H](c1ccccc1)N(C)C ZINC000659492860 425615856 /nfs/dbraw/zinc/61/58/56/425615856.db2.gz RZQFGXAVBSLOAU-GDBMZVCRSA-N 1 3 318.465 2.249 20 0 DEADHO CN(C(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccccc1 ZINC000662292828 425616180 /nfs/dbraw/zinc/61/61/80/425616180.db2.gz AIXKLGKUZPPQTR-QGZVFWFLSA-N 1 3 315.461 2.361 20 0 DEADHO COc1ccc([C@@H](NCCOCC[NH3+])c2ccccc2)cc1 ZINC000662298404 425617130 /nfs/dbraw/zinc/61/71/30/425617130.db2.gz BYDJDEJHAJFCMP-SFHVURJKSA-N 1 3 300.402 2.350 20 0 DEADHO CCCN1CC[C@H](NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000659545517 425624488 /nfs/dbraw/zinc/62/44/88/425624488.db2.gz OLOGFYURDQAEBR-IRXDYDNUSA-N 1 3 318.465 2.250 20 0 DEADHO CC1CCN(CCC[NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000655682249 425627683 /nfs/dbraw/zinc/62/76/83/425627683.db2.gz CERXEPJSMYDOKS-LJQANCHMSA-N 1 3 323.525 2.341 20 0 DEADHO CC[C@@H]([NH2+]C)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000662359725 425631910 /nfs/dbraw/zinc/63/19/10/425631910.db2.gz ANTXDNXONNQIQF-MRXNPFEDSA-N 1 3 318.465 2.073 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000662359724 425632636 /nfs/dbraw/zinc/63/26/36/425632636.db2.gz ANTXDNXONNQIQF-INIZCTEOSA-N 1 3 318.465 2.073 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](C)[C@H]1C ZINC000665758323 425640496 /nfs/dbraw/zinc/64/04/96/425640496.db2.gz FPBCDASNFZIHFP-OWCLPIDISA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](C)[C@H]1C ZINC000665758323 425640500 /nfs/dbraw/zinc/64/05/00/425640500.db2.gz FPBCDASNFZIHFP-OWCLPIDISA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc2c(s1)CCNC2 ZINC000662405655 425642671 /nfs/dbraw/zinc/64/26/71/425642671.db2.gz ZZVAOQFUOQBGFL-OLZOCXBDSA-N 1 3 321.490 2.244 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc2c(s1)CCNC2 ZINC000662405655 425642672 /nfs/dbraw/zinc/64/26/72/425642672.db2.gz ZZVAOQFUOQBGFL-OLZOCXBDSA-N 1 3 321.490 2.244 20 0 DEADHO CC1(C)CCCN[C@H]1C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662840586 425745144 /nfs/dbraw/zinc/74/51/44/425745144.db2.gz DAPXNIFJGUQWNW-HOTGVXAUSA-N 1 3 307.482 2.003 20 0 DEADHO [NH3+]Cc1cccc(NC(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000655906797 425682349 /nfs/dbraw/zinc/68/23/49/425682349.db2.gz AYTPUFZIKUMPOX-HZPDHXFCSA-N 1 3 302.422 2.284 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C[C@H](N)c2ccccc2)C1 ZINC000662589784 425687937 /nfs/dbraw/zinc/68/79/37/425687937.db2.gz DXTIQXBYNQELQG-HOCLYGCPSA-N 1 3 303.450 2.313 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C[C@H](N)c2ccccc2)C1 ZINC000662589784 425687940 /nfs/dbraw/zinc/68/79/40/425687940.db2.gz DXTIQXBYNQELQG-HOCLYGCPSA-N 1 3 303.450 2.313 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662598406 425690900 /nfs/dbraw/zinc/69/09/00/425690900.db2.gz VJJXGLADQKOZJF-DLBZAZTESA-N 1 3 307.482 2.099 20 0 DEADHO [NH3+]C1(CNC(=O)C2CCN(Cc3ccccc3)CC2)CCCC1 ZINC000662653281 425703588 /nfs/dbraw/zinc/70/35/88/425703588.db2.gz SENWXZHMDOVXNA-UHFFFAOYSA-N 1 3 315.461 2.286 20 0 DEADHO CCC[C@@](C)(N)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000662659841 425706153 /nfs/dbraw/zinc/70/61/53/425706153.db2.gz VMAITSUPZVDOHP-IEBWSBKVSA-N 1 3 317.477 2.279 20 0 DEADHO CCC[C@@](C)(N)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000662659841 425706157 /nfs/dbraw/zinc/70/61/57/425706157.db2.gz VMAITSUPZVDOHP-IEBWSBKVSA-N 1 3 317.477 2.279 20 0 DEADHO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cccc2c1CNC2 ZINC000662668883 425707278 /nfs/dbraw/zinc/70/72/78/425707278.db2.gz RTZWQDOTKMOKBN-OAHLLOKOSA-N 1 3 313.445 2.427 20 0 DEADHO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cccc2c1CNC2 ZINC000662668883 425707280 /nfs/dbraw/zinc/70/72/80/425707280.db2.gz RTZWQDOTKMOKBN-OAHLLOKOSA-N 1 3 313.445 2.427 20 0 DEADHO CCN(C(=O)[C@H]1C[C@H]([NH3+])C1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000662693861 425714137 /nfs/dbraw/zinc/71/41/37/425714137.db2.gz MJOOKWVSDNVSCE-DDBAPUKQSA-N 1 3 315.461 2.408 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c(s2)CCNC3)[C@H](C)C1 ZINC000662747080 425728105 /nfs/dbraw/zinc/72/81/05/425728105.db2.gz WVXDXXAOJZUZNT-OCCSQVGLSA-N 1 3 321.490 2.196 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc3c(s2)CCNC3)[C@H](C)C1 ZINC000662747080 425728110 /nfs/dbraw/zinc/72/81/10/425728110.db2.gz WVXDXXAOJZUZNT-OCCSQVGLSA-N 1 3 321.490 2.196 20 0 DEADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cccc2c1CCNC2 ZINC000662745769 425728942 /nfs/dbraw/zinc/72/89/42/425728942.db2.gz OPDOAIWIJGFZLF-MRXNPFEDSA-N 1 3 315.461 2.279 20 0 DEADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cccc2c1CCNC2 ZINC000662745769 425728945 /nfs/dbraw/zinc/72/89/45/425728945.db2.gz OPDOAIWIJGFZLF-MRXNPFEDSA-N 1 3 315.461 2.279 20 0 DEADHO CN1CCN(CC2(C)CC[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)CC2)CC1 ZINC000660278240 425780976 /nfs/dbraw/zinc/78/09/76/425780976.db2.gz XSONNSDQBGOETK-BCDXTJNWSA-N 1 3 305.510 2.382 20 0 DEADHO CC[C@@H]1c2ccccc2CC[N@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000666640927 425793330 /nfs/dbraw/zinc/79/33/30/425793330.db2.gz AALNWGWIXMGATN-CRAIPNDOSA-N 1 3 315.461 2.193 20 0 DEADHO CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000666640927 425793331 /nfs/dbraw/zinc/79/33/31/425793331.db2.gz AALNWGWIXMGATN-CRAIPNDOSA-N 1 3 315.461 2.193 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000660396823 425807153 /nfs/dbraw/zinc/80/71/53/425807153.db2.gz OCPFZASYGQORNA-BBWFWOEESA-N 1 3 324.513 2.138 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000660396823 425807156 /nfs/dbraw/zinc/80/71/56/425807156.db2.gz OCPFZASYGQORNA-BBWFWOEESA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)c1nnc2n1C[C@H](N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)CC2 ZINC000333257566 268914705 /nfs/dbraw/zinc/91/47/05/268914705.db2.gz IGZWBYZQRRLRSA-QKPAOTATSA-N 1 3 317.481 2.227 20 0 DEADHO CCC[C@@](C)([NH3+])C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000370766101 269082756 /nfs/dbraw/zinc/08/27/56/269082756.db2.gz JPWKBGSXGORALY-SJLPKXTDSA-N 1 3 303.450 2.237 20 0 DEADHO C[C@H]1CCCCN1C(=O)CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000374167106 269091614 /nfs/dbraw/zinc/09/16/14/269091614.db2.gz ZKUBAYLXEYGXHQ-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO Cc1c[nH+]ccc1NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000397610190 269106964 /nfs/dbraw/zinc/10/69/64/269106964.db2.gz ZBDGDUIYMNMDSR-UHFFFAOYSA-N 1 3 311.429 2.251 20 0 DEADHO CN(C)CCN(Cc1ccccc1)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000405546734 269113074 /nfs/dbraw/zinc/11/30/74/269113074.db2.gz WTFRHWSSNLGVKK-DLBZAZTESA-N 1 3 303.450 2.094 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000405323818 269113272 /nfs/dbraw/zinc/11/32/72/269113272.db2.gz BFTOTGUYRRMJIL-OWLYRPNTSA-N 1 3 315.461 2.141 20 0 DEADHO N[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cc2cccc(F)c2)c2ccccc21 ZINC000423145302 269115482 /nfs/dbraw/zinc/11/54/82/269115482.db2.gz KASDNALXVBFZKR-QGTPRVQTSA-N 1 3 300.377 2.464 20 0 DEADHO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1CC[C@H]1CCCN1C ZINC000495689867 269168617 /nfs/dbraw/zinc/16/86/17/269168617.db2.gz VJQWNUUGRPRPCM-CVEARBPZSA-N 1 3 311.470 2.460 20 0 DEADHO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1CC[C@H]1CCCN1C ZINC000495689867 269168618 /nfs/dbraw/zinc/16/86/18/269168618.db2.gz VJQWNUUGRPRPCM-CVEARBPZSA-N 1 3 311.470 2.460 20 0 DEADHO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1CC[C@@H]1CCCN1C ZINC000495689870 269168634 /nfs/dbraw/zinc/16/86/34/269168634.db2.gz VJQWNUUGRPRPCM-JKSUJKDBSA-N 1 3 311.470 2.460 20 0 DEADHO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1CC[C@@H]1CCCN1C ZINC000495689870 269168636 /nfs/dbraw/zinc/16/86/36/269168636.db2.gz VJQWNUUGRPRPCM-JKSUJKDBSA-N 1 3 311.470 2.460 20 0 DEADHO CN1CCC[C@@H]2C[N@H+](CCCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000496352841 269213475 /nfs/dbraw/zinc/21/34/75/269213475.db2.gz VIYZYKGBRRUWGY-HUUCEWRRSA-N 1 3 311.470 2.317 20 0 DEADHO CN1CCC[C@@H]2C[N@@H+](CCCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000496352841 269213477 /nfs/dbraw/zinc/21/34/77/269213477.db2.gz VIYZYKGBRRUWGY-HUUCEWRRSA-N 1 3 311.470 2.317 20 0 DEADHO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](C[C@H]3CCCNC3)C[C@H]2C1 ZINC000496491576 269223905 /nfs/dbraw/zinc/22/39/05/269223905.db2.gz KQWJJFRJXQEGRS-XHSDSOJGSA-N 1 3 323.481 2.175 20 0 DEADHO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](C[C@H]3CCCNC3)C[C@H]2C1 ZINC000496491576 269223907 /nfs/dbraw/zinc/22/39/07/269223907.db2.gz KQWJJFRJXQEGRS-XHSDSOJGSA-N 1 3 323.481 2.175 20 0 DEADHO CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@H]3CCC[NH2+]C3)C[C@H]2C1 ZINC000496491576 269223908 /nfs/dbraw/zinc/22/39/08/269223908.db2.gz KQWJJFRJXQEGRS-XHSDSOJGSA-N 1 3 323.481 2.175 20 0 DEADHO COC(=O)Nc1ccc(CC[NH2+][C@@H]2CCNCC[C@@H]2C)cc1 ZINC000496976377 269272871 /nfs/dbraw/zinc/27/28/71/269272871.db2.gz GKWYNDAHISQFPG-XJKSGUPXSA-N 1 3 305.422 2.385 20 0 DEADHO COC(=O)Nc1ccc(CCN[C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000496976377 269272873 /nfs/dbraw/zinc/27/28/73/269272873.db2.gz GKWYNDAHISQFPG-XJKSGUPXSA-N 1 3 305.422 2.385 20 0 DEADHO CN1CC=C(C[NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000497078136 269283972 /nfs/dbraw/zinc/28/39/72/269283972.db2.gz FUMMSUQPAFYIGX-UHFFFAOYSA-N 1 3 309.454 2.143 20 0 DEADHO CC(C)N1CCN(CCCN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000514664595 269326990 /nfs/dbraw/zinc/32/69/90/269326990.db2.gz OVUGPTQFQODAIZ-RBUKOAKNSA-N 1 3 322.541 2.009 20 0 DEADHO OC[C@H](CC1CCC1)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000514854718 269333959 /nfs/dbraw/zinc/33/39/59/269333959.db2.gz CLXMZDUFRURLAE-IEZWGBDMSA-N 1 3 316.445 2.383 20 0 DEADHO CC(C)(C)c1n[nH]cc1CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000516632280 269366266 /nfs/dbraw/zinc/36/62/66/269366266.db2.gz NVHPANGWPJHDBQ-CVEARBPZSA-N 1 3 320.481 2.426 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000155674247 287715405 /nfs/dbraw/zinc/71/54/05/287715405.db2.gz QJJNMAOQHMQATL-ULQDDVLXSA-N 1 3 309.498 2.330 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000262557041 275749196 /nfs/dbraw/zinc/74/91/96/275749196.db2.gz ZLTAXISSDDBZTN-IXDOHACOSA-N 1 3 303.450 2.444 20 0 DEADHO CCN(CC(=O)Nc1cccc(OC)c1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414709137 276086055 /nfs/dbraw/zinc/08/60/55/276086055.db2.gz RAZWCKINBUQHRW-LSDHHAIUSA-N 1 3 319.449 2.344 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000104261390 276154221 /nfs/dbraw/zinc/15/42/21/276154221.db2.gz ISNJYZSJFATLAS-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000104261390 276154224 /nfs/dbraw/zinc/15/42/24/276154224.db2.gz ISNJYZSJFATLAS-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO CC[NH+](CC)CCCNC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000105073971 276324901 /nfs/dbraw/zinc/32/49/01/276324901.db2.gz YQAYMHAQXGGTKS-KRWDZBQOSA-N 1 3 324.513 2.378 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CCN1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000343515977 277044347 /nfs/dbraw/zinc/04/43/47/277044347.db2.gz LDNHWEXOYHYEAD-JFIYKMOQSA-N 1 3 319.493 2.336 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CCN1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000343515977 277044348 /nfs/dbraw/zinc/04/43/48/277044348.db2.gz LDNHWEXOYHYEAD-JFIYKMOQSA-N 1 3 319.493 2.336 20 0 DEADHO CN1CCN(CC[NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1(C)C ZINC000441360829 277106301 /nfs/dbraw/zinc/10/63/01/277106301.db2.gz YJGZJHXNGVNQOM-MSOLQXFVSA-N 1 3 301.478 2.406 20 0 DEADHO CC(C)(C(=O)NCCN1CCCCC1)[C@H]([NH3+])c1ccccc1 ZINC000423315829 277124709 /nfs/dbraw/zinc/12/47/09/277124709.db2.gz XPYZHXNKDSQADI-MRXNPFEDSA-N 1 3 303.450 2.315 20 0 DEADHO COCCN1CC[C@H](NC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)C1 ZINC000358729943 277227191 /nfs/dbraw/zinc/22/71/91/277227191.db2.gz ZJGHWPSOCXPMNV-WDSOQIARSA-N 1 3 323.525 2.340 20 0 DEADHO COC[C@H](CC(C)C)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000358281166 277259713 /nfs/dbraw/zinc/25/97/13/277259713.db2.gz AKRSCOXQMZOZDJ-RCCFBDPRSA-N 1 3 312.498 2.405 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)CC1CCN(C)CC1 ZINC000486974730 277388183 /nfs/dbraw/zinc/38/81/83/277388183.db2.gz SWDPMFMZYUUKAK-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)CC1CCN(C)CC1 ZINC000486974730 277388185 /nfs/dbraw/zinc/38/81/85/277388185.db2.gz SWDPMFMZYUUKAK-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H]2NCCCC2(C)C)C1 ZINC000423345828 277966019 /nfs/dbraw/zinc/96/60/19/277966019.db2.gz ZFEPYLZYPWRXFF-BZUAXINKSA-N 1 3 309.498 2.249 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CN1C1CC1 ZINC000247067788 278023247 /nfs/dbraw/zinc/02/32/47/278023247.db2.gz WPZRBTOGPHSOLX-PMPSAXMXSA-N 1 3 319.493 2.382 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CN1C1CC1 ZINC000247067788 278023248 /nfs/dbraw/zinc/02/32/48/278023248.db2.gz WPZRBTOGPHSOLX-PMPSAXMXSA-N 1 3 319.493 2.382 20 0 DEADHO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N1CCC2(CC[NH2+]C2)CC1 ZINC000431027022 278212280 /nfs/dbraw/zinc/21/22/80/278212280.db2.gz ZFXOKYIRWQKKEB-QZWWFDLISA-N 1 3 321.509 2.391 20 0 DEADHO C[C@@H](CCNC(=O)/C=C\CN(C)C)[N@H+](C)Cc1ccccc1 ZINC000492043249 278232179 /nfs/dbraw/zinc/23/21/79/278232179.db2.gz QZNFVVYOBKZKSJ-CLOOOTJHSA-N 1 3 303.450 2.131 20 0 DEADHO C[C@@H](CCNC(=O)/C=C\CN(C)C)[N@@H+](C)Cc1ccccc1 ZINC000492043249 278232180 /nfs/dbraw/zinc/23/21/80/278232180.db2.gz QZNFVVYOBKZKSJ-CLOOOTJHSA-N 1 3 303.450 2.131 20 0 DEADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2COCCO2)CC1 ZINC000449093961 278298169 /nfs/dbraw/zinc/29/81/69/278298169.db2.gz XQNJFDUBIWBSET-LPHOPBHVSA-N 1 3 318.461 2.087 20 0 DEADHO C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1=CCN(C)CC1 ZINC000358393501 278330011 /nfs/dbraw/zinc/33/00/11/278330011.db2.gz IAAALBXOHNHFCC-RHSMWYFYSA-N 1 3 305.466 2.160 20 0 DEADHO C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1=CCN(C)CC1 ZINC000358393501 278330012 /nfs/dbraw/zinc/33/00/12/278330012.db2.gz IAAALBXOHNHFCC-RHSMWYFYSA-N 1 3 305.466 2.160 20 0 DEADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CCN(C2CCCCC2)CC1 ZINC000423716969 278565760 /nfs/dbraw/zinc/56/57/60/278565760.db2.gz YUCAVLCBZKJZGT-WMZOPIPTSA-N 1 3 307.482 2.371 20 0 DEADHO CC(C)Cc1ccc([C@@H](CNC(=O)N[C@@H](C)C[NH3+])N(C)C)cc1 ZINC000418197084 279242885 /nfs/dbraw/zinc/24/28/85/279242885.db2.gz SMTQYSXHURSCGK-WMLDXEAASA-N 1 3 320.481 2.134 20 0 DEADHO C[C@H](CCCC[NH3+])NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000418184272 279254422 /nfs/dbraw/zinc/25/44/22/279254422.db2.gz PRMMIMKPQYAUOT-VYDXJSESSA-N 1 3 320.481 2.495 20 0 DEADHO CC(C)N(C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)C1CCCC1 ZINC000420330615 279280101 /nfs/dbraw/zinc/28/01/01/279280101.db2.gz QFOAQGMOKITETE-IRXDYDNUSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CN(CC2CC[NH+](CC[C@H]3CCCO3)CC2)C[C@H](C)O1 ZINC000249390709 288153211 /nfs/dbraw/zinc/15/32/11/288153211.db2.gz RVLRORBPUCEPCS-SOLBZPMBSA-N 1 3 310.482 2.377 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)C[C@H](C)O1 ZINC000178036764 288161111 /nfs/dbraw/zinc/16/11/11/288161111.db2.gz WDYMDVRPHJXSFU-MDMSPXHWSA-N 1 3 311.514 2.194 20 0 DEADHO CC(C)c1ccc([C@H](N)CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1 ZINC000423233279 280623583 /nfs/dbraw/zinc/62/35/83/280623583.db2.gz DIRGKDGZDXNSTC-VIBAHUMZSA-N 1 3 305.466 2.152 20 0 DEADHO CC[C@H](O)[C@H](CC)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423150359 281006084 /nfs/dbraw/zinc/00/60/84/281006084.db2.gz BSFFNMKZCARZQZ-DFGXFYAUSA-N 1 3 304.434 2.381 20 0 DEADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000346255939 282017641 /nfs/dbraw/zinc/01/76/41/282017641.db2.gz DJHIXPNTSQXLGK-ZJIFWQFVSA-N 1 3 309.498 2.342 20 0 DEADHO CN1CCC2(CCCN2C(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000422247774 289063941 /nfs/dbraw/zinc/06/39/41/289063941.db2.gz XVMDTIZSDBHBNL-UHFFFAOYSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H](C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)N1CCCCCC1 ZINC000424036997 289262136 /nfs/dbraw/zinc/26/21/36/289262136.db2.gz FYAYUHPYBXPEPD-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](C1CC1)N(C(=O)CN1CCC([C@@H]2CCC[NH2+]2)CC1)C1CC1 ZINC000420333547 289396386 /nfs/dbraw/zinc/39/63/86/289396386.db2.gz HRRAJBLOEXCILK-KDOFPFPSSA-N 1 3 319.493 2.240 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CC1(C[NH3+])CC1 ZINC000423788526 297031640 /nfs/dbraw/zinc/03/16/40/297031640.db2.gz XWFRBIDQHBILMN-MRXNPFEDSA-N 1 3 315.461 2.238 20 0 DEADHO CC(C)C[NH+]1CCC(C)(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001423668346 1173477989 /nfs/dbraw/zinc/47/79/89/1173477989.db2.gz IGNHEFTYYZOHSQ-MRXNPFEDSA-N 1 3 311.514 2.447 20 0 DEADHO COc1ccc(CCN[C@H]2CC[NH2+]CC[C@@H]2C)c(OC)c1OC ZINC000422709405 295122090 /nfs/dbraw/zinc/12/20/90/295122090.db2.gz ZFMDJTASMCQZEY-ZFWWWQNUSA-N 1 3 322.449 2.233 20 0 DEADHO COc1ccc(CC[NH2+][C@H]2CCNCC[C@@H]2C)c(OC)c1OC ZINC000422709405 295122092 /nfs/dbraw/zinc/12/20/92/295122092.db2.gz ZFMDJTASMCQZEY-ZFWWWQNUSA-N 1 3 322.449 2.233 20 0 DEADHO NC[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000238017084 295241507 /nfs/dbraw/zinc/24/15/07/295241507.db2.gz BTBIQJGWWZUZBH-FUHWJXTLSA-N 1 3 315.461 2.063 20 0 DEADHO O=C(CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)N1CCCCCC1 ZINC000422849527 295476077 /nfs/dbraw/zinc/47/60/77/295476077.db2.gz UYKQTKZZIKIJKO-BRWVUGGUSA-N 1 3 307.482 2.289 20 0 DEADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000362596956 300222896 /nfs/dbraw/zinc/22/28/96/300222896.db2.gz SEMHYBDANAVNQA-DOTOQJQBSA-N 1 3 309.498 2.155 20 0 DEADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000362596956 300222897 /nfs/dbraw/zinc/22/28/97/300222897.db2.gz SEMHYBDANAVNQA-DOTOQJQBSA-N 1 3 309.498 2.155 20 0 DEADHO O=C(C[C@@H]1CCC[NH2+]1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000194017930 303642273 /nfs/dbraw/zinc/64/22/73/303642273.db2.gz UFKICZOCUFFUDX-DLBZAZTESA-N 1 3 301.434 2.082 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccnc(OC2CCOCC2)c1 ZINC000572951655 326002296 /nfs/dbraw/zinc/00/22/96/326002296.db2.gz KWBZYWGPWIDSTJ-WBVHZDCISA-N 1 3 319.449 2.247 20 0 DEADHO Cc1nn(-c2ccccn2)c(C)c1CN1CCC(CC[NH3+])CC1 ZINC000574210823 326133147 /nfs/dbraw/zinc/13/31/47/326133147.db2.gz OUCLGFQONXHTHN-UHFFFAOYSA-N 1 3 313.449 2.445 20 0 DEADHO CC(C)(C[NH2+]C1CCN(c2cnccn2)CC1)CN1CCCC1 ZINC000574737970 326182087 /nfs/dbraw/zinc/18/20/87/326182087.db2.gz ZHLNDVDJPIVLBJ-UHFFFAOYSA-N 1 3 317.481 2.157 20 0 DEADHO OC[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCC1 ZINC000576218794 326277244 /nfs/dbraw/zinc/27/72/44/326277244.db2.gz UUQZNQSLFOXXCJ-ZIFCJYIRSA-N 1 3 316.445 2.383 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@H](O)CCOC(C)C)C1 ZINC000577098804 326342697 /nfs/dbraw/zinc/34/26/97/326342697.db2.gz JGRHXHCCFIKPLX-DLBZAZTESA-N 1 3 300.487 2.120 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@H](O)CCOC(C)C)C1 ZINC000577098804 326342698 /nfs/dbraw/zinc/34/26/98/326342698.db2.gz JGRHXHCCFIKPLX-DLBZAZTESA-N 1 3 300.487 2.120 20 0 DEADHO CC(C)CN1CCC[C@@H](C[NH2+]C[C@H](O)CCOC(C)C)C1 ZINC000577098804 326342699 /nfs/dbraw/zinc/34/26/99/326342699.db2.gz JGRHXHCCFIKPLX-DLBZAZTESA-N 1 3 300.487 2.120 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@@H](O)CCOC(C)C)C1 ZINC000577098807 326342768 /nfs/dbraw/zinc/34/27/68/326342768.db2.gz JGRHXHCCFIKPLX-SJORKVTESA-N 1 3 300.487 2.120 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@@H](O)CCOC(C)C)C1 ZINC000577098807 326342770 /nfs/dbraw/zinc/34/27/70/326342770.db2.gz JGRHXHCCFIKPLX-SJORKVTESA-N 1 3 300.487 2.120 20 0 DEADHO CC(C)CN1CCC[C@H](C[NH2+]C[C@@H](O)CCOC(C)C)C1 ZINC000577098807 326342771 /nfs/dbraw/zinc/34/27/71/326342771.db2.gz JGRHXHCCFIKPLX-SJORKVTESA-N 1 3 300.487 2.120 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000583379656 332374298 /nfs/dbraw/zinc/37/42/98/332374298.db2.gz JYNQMNWQCWVDJR-CABCVRRESA-N 1 3 320.481 2.406 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000583142509 337244963 /nfs/dbraw/zinc/24/49/63/337244963.db2.gz AEKJDLGEWMXIKT-RCCFBDPRSA-N 1 3 315.461 2.203 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(C(=O)NCC2(N(C)C)CCC2)CC1 ZINC000584390248 337248011 /nfs/dbraw/zinc/24/80/11/337248011.db2.gz PPQNMEGJVXVALN-UHFFFAOYSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NCC2(N(C)C)CCC2)CC1 ZINC000584390248 337248012 /nfs/dbraw/zinc/24/80/12/337248012.db2.gz PPQNMEGJVXVALN-UHFFFAOYSA-N 1 3 324.513 2.233 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CNCc2ccccc21 ZINC000583810010 337336047 /nfs/dbraw/zinc/33/60/47/337336047.db2.gz RAQUHXVXQJOONA-SJLPKXTDSA-N 1 3 315.461 2.254 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CNCc2ccccc21 ZINC000583810010 337336048 /nfs/dbraw/zinc/33/60/48/337336048.db2.gz RAQUHXVXQJOONA-SJLPKXTDSA-N 1 3 315.461 2.254 20 0 DEADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)CCC[NH3+] ZINC000584459293 337343847 /nfs/dbraw/zinc/34/38/47/337343847.db2.gz VUJBCZWSCOBIOX-KRWDZBQOSA-N 1 3 320.481 2.133 20 0 DEADHO CCCC[N@H+](C)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000583881018 337375896 /nfs/dbraw/zinc/37/58/96/337375896.db2.gz PSWSPILUZVYDMY-INIZCTEOSA-N 1 3 309.498 2.299 20 0 DEADHO CCCC[N@@H+](C)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000583881018 337375897 /nfs/dbraw/zinc/37/58/97/337375897.db2.gz PSWSPILUZVYDMY-INIZCTEOSA-N 1 3 309.498 2.299 20 0 DEADHO CC[C@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1ccccc1C ZINC001378291575 1152276232 /nfs/dbraw/zinc/27/62/32/1152276232.db2.gz AQACATVTIDTNOL-SJORKVTESA-N 1 3 305.466 2.320 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@]1(C[NH2+]C(C)C)CCCC[C@@H]1C ZINC001378418305 1152322090 /nfs/dbraw/zinc/32/20/90/1152322090.db2.gz DGDPOSJCFDANLV-SUMWQHHRSA-N 1 3 306.454 2.324 20 0 DEADHO CC[C@@H](C(=O)NC1(C[NH2+]CC[C@@H](C)F)CCCCC1)N(C)C ZINC001329861687 1149005402 /nfs/dbraw/zinc/00/54/02/1149005402.db2.gz VJOYODJVXMMVLB-CABCVRRESA-N 1 3 315.477 2.483 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC001378587007 1152385508 /nfs/dbraw/zinc/38/55/08/1152385508.db2.gz NGIFJLPVIGUKNA-AWEZNQCLSA-N 1 3 309.498 2.199 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]Cc1ccc(F)cc1 ZINC001378612707 1152394021 /nfs/dbraw/zinc/39/40/21/1152394021.db2.gz XREUOKXABXSTPI-HUUCEWRRSA-N 1 3 321.440 2.009 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)N[C@@H](C)CCC[NH3+])N(C)C)cc1 ZINC000417312625 534220159 /nfs/dbraw/zinc/22/01/59/534220159.db2.gz NYFRWAOFIJALMD-GOEBONIOSA-N 1 3 306.454 2.024 20 0 DEADHO C[C@@H](Cc1ccc(F)cc1Cl)NC[C@@H](O)C[NH+]1CCCC1 ZINC000421824566 534233171 /nfs/dbraw/zinc/23/31/71/534233171.db2.gz JJBCQNCSUQMQMQ-SWLSCSKDSA-N 1 3 314.832 2.456 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2)C1)N(C)C ZINC001378867007 1152473147 /nfs/dbraw/zinc/47/31/47/1152473147.db2.gz KRPXZRAMPPPADX-ULQDDVLXSA-N 1 3 303.450 2.011 20 0 DEADHO CC(C)N1CCC([N@H+](C)CCCN2CCN(C(C)C)CC2)CC1 ZINC000337343789 519670266 /nfs/dbraw/zinc/67/02/66/519670266.db2.gz XZAXXRLAQURPEY-UHFFFAOYSA-N 1 3 324.557 2.207 20 0 DEADHO CC(C)N1CCC([N@@H+](C)CCCN2CCN(C(C)C)CC2)CC1 ZINC000337343789 519670267 /nfs/dbraw/zinc/67/02/67/519670267.db2.gz XZAXXRLAQURPEY-UHFFFAOYSA-N 1 3 324.557 2.207 20 0 DEADHO CC[N@H+](C)CCNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000338460361 520233010 /nfs/dbraw/zinc/23/30/10/520233010.db2.gz FGZNGKZMCZOPHU-RDJZCZTQSA-N 1 3 318.465 2.073 20 0 DEADHO CC[N@@H+](C)CCNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000338460361 520233018 /nfs/dbraw/zinc/23/30/18/520233018.db2.gz FGZNGKZMCZOPHU-RDJZCZTQSA-N 1 3 318.465 2.073 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000111883436 521600736 /nfs/dbraw/zinc/60/07/36/521600736.db2.gz LOYXPHJTINZPFB-KRWDZBQOSA-N 1 3 324.513 2.234 20 0 DEADHO CN(C)CCOc1ccccc1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000131655276 521805991 /nfs/dbraw/zinc/80/59/91/521805991.db2.gz ZNYHFBYSDBWMCB-UHFFFAOYSA-N 1 3 313.401 2.338 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000156284821 521918757 /nfs/dbraw/zinc/91/87/57/521918757.db2.gz UVUWRYRYTCDFMN-KRWDZBQOSA-N 1 3 315.461 2.495 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000156284821 521918769 /nfs/dbraw/zinc/91/87/69/521918769.db2.gz UVUWRYRYTCDFMN-KRWDZBQOSA-N 1 3 315.461 2.495 20 0 DEADHO C[C@@H](F)CC[N@H+](C)CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001378925058 1152493052 /nfs/dbraw/zinc/49/30/52/1152493052.db2.gz YGSUSXPXUSIOOR-CQSZACIVSA-N 1 3 324.444 2.261 20 0 DEADHO C[C@@H](F)CC[N@@H+](C)CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001378925058 1152493055 /nfs/dbraw/zinc/49/30/55/1152493055.db2.gz YGSUSXPXUSIOOR-CQSZACIVSA-N 1 3 324.444 2.261 20 0 DEADHO C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000248994899 524851697 /nfs/dbraw/zinc/85/16/97/524851697.db2.gz HQUAZIAIMHGEJL-AESZEHBQSA-N 1 3 303.450 2.139 20 0 DEADHO CC[C@H](C(=O)N1CCC([N@H+](C)CCC(F)(F)F)CC1)N(C)C ZINC001378934489 1152496672 /nfs/dbraw/zinc/49/66/72/1152496672.db2.gz ICIRTSXVYGRTRC-CYBMUJFWSA-N 1 3 323.403 2.202 20 0 DEADHO CC[C@H](C(=O)N1CCC([N@@H+](C)CCC(F)(F)F)CC1)N(C)C ZINC001378934489 1152496676 /nfs/dbraw/zinc/49/66/76/1152496676.db2.gz ICIRTSXVYGRTRC-CYBMUJFWSA-N 1 3 323.403 2.202 20 0 DEADHO C[C@H](C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)[C@H](N)c1ccccc1 ZINC000246304095 525935668 /nfs/dbraw/zinc/93/56/68/525935668.db2.gz OFUQFIQDEOAXDG-ZOBUZTSGSA-N 1 3 303.450 2.123 20 0 DEADHO C[C@H](C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)[C@H](N)c1ccccc1 ZINC000246304095 525935675 /nfs/dbraw/zinc/93/56/75/525935675.db2.gz OFUQFIQDEOAXDG-ZOBUZTSGSA-N 1 3 303.450 2.123 20 0 DEADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)[C@H]1CCC[NH2+]C1 ZINC000246551574 526514807 /nfs/dbraw/zinc/51/48/07/526514807.db2.gz TXKAUEMRUKRUIW-GJZGRUSLSA-N 1 3 321.490 2.076 20 0 DEADHO CC(C)(CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)N1CCCCC1 ZINC000332021010 527124184 /nfs/dbraw/zinc/12/41/84/527124184.db2.gz ZWYCEIGGWOOBPW-JYJNAYRXSA-N 1 3 322.497 2.020 20 0 DEADHO C(C[NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1)COC1CCOCC1 ZINC000422914977 527486465 /nfs/dbraw/zinc/48/64/65/527486465.db2.gz ACZXAMZAZATCHN-KSZLIROESA-N 1 3 310.482 2.473 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000418526344 527663182 /nfs/dbraw/zinc/66/31/82/527663182.db2.gz ZFTHYONLEJLXSR-UHFFFAOYSA-N 1 3 324.513 2.140 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000418237933 528311917 /nfs/dbraw/zinc/31/19/17/528311917.db2.gz OKBHGFJTKVPDKE-IRXDYDNUSA-N 1 3 324.513 2.267 20 0 DEADHO CC(C)C[C@H](C[NH3+])NC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000418188387 528514055 /nfs/dbraw/zinc/51/40/55/528514055.db2.gz UGAJQMBVYMVZCC-OIISXLGYSA-N 1 3 320.481 2.350 20 0 DEADHO CCCC[C@H](C[NH3+])NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000418189815 528945078 /nfs/dbraw/zinc/94/50/78/528945078.db2.gz VTKBDIIAEKUBEE-UAGQMJEPSA-N 1 3 320.481 2.495 20 0 DEADHO CCCC[C@H]([NH3+])C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000442711015 528971187 /nfs/dbraw/zinc/97/11/87/528971187.db2.gz GIDAOLHEYNVOFV-KRWDZBQOSA-N 1 3 319.449 2.099 20 0 DEADHO CC(C)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)N1CCOCC1 ZINC000422806780 529014099 /nfs/dbraw/zinc/01/40/99/529014099.db2.gz NRHDMXJRRAJYQL-OKYOBFRVSA-N 1 3 323.525 2.244 20 0 DEADHO CC(C)[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])Nc1ccccc1 ZINC000422974378 529015818 /nfs/dbraw/zinc/01/58/18/529015818.db2.gz DUMNQHJDNNYNSB-DDBAPUKQSA-N 1 3 305.466 2.465 20 0 DEADHO CC(C)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)N)Nc1ccccc1 ZINC000422974378 529015824 /nfs/dbraw/zinc/01/58/24/529015824.db2.gz DUMNQHJDNNYNSB-DDBAPUKQSA-N 1 3 305.466 2.465 20 0 DEADHO CC1(C)CN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CCN1 ZINC000413558398 529106704 /nfs/dbraw/zinc/10/67/04/529106704.db2.gz WFVWUVCWBVTMJX-UHFFFAOYSA-N 1 3 315.461 2.497 20 0 DEADHO CCN1CCN(Cc2ccc(N[C@H](C)[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000422916027 529149495 /nfs/dbraw/zinc/14/94/95/529149495.db2.gz CENLWFYMOMJZBW-VQIMIIECSA-N 1 3 316.493 2.377 20 0 DEADHO CCS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCCC[C@H]2CN)c1 ZINC000423101653 529169775 /nfs/dbraw/zinc/16/97/75/529169775.db2.gz NTRRQYZFAGMDKI-GOEBONIOSA-N 1 3 310.463 2.087 20 0 DEADHO CCS(=O)(=O)c1cccc(C[NH2+][C@H]2CCCC[C@@H]2CN)c1 ZINC000423101656 529169964 /nfs/dbraw/zinc/16/99/64/529169964.db2.gz NTRRQYZFAGMDKI-ZBFHGGJFSA-N 1 3 310.463 2.087 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000417711618 529200573 /nfs/dbraw/zinc/20/05/73/529200573.db2.gz YKOSBGZLCPKNCR-HOCLYGCPSA-N 1 3 310.486 2.020 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000357970630 535014906 /nfs/dbraw/zinc/01/49/06/535014906.db2.gz GDAWAEMGSRTLSC-CVEARBPZSA-N 1 3 312.502 2.135 20 0 DEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000357970630 535014910 /nfs/dbraw/zinc/01/49/10/535014910.db2.gz GDAWAEMGSRTLSC-CVEARBPZSA-N 1 3 312.502 2.135 20 0 DEADHO CCNC(=O)c1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)cc1 ZINC000247014736 535423413 /nfs/dbraw/zinc/42/34/13/535423413.db2.gz LLBGFHPWAJOQEG-CKEIUWERSA-N 1 3 303.450 2.255 20 0 DEADHO CCC[C@@H]1C[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000360148981 535476513 /nfs/dbraw/zinc/47/65/13/535476513.db2.gz GXTHKCPGNRJUIG-RHSMWYFYSA-N 1 3 307.482 2.097 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1N[C@@H]1CCN(CCOC)C1 ZINC000346433502 535580991 /nfs/dbraw/zinc/58/09/91/535580991.db2.gz HMYKJGMAGIOWMS-RCCFBDPRSA-N 1 3 311.514 2.197 20 0 DEADHO CN(C)CCOc1cccc(NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000261870822 535910951 /nfs/dbraw/zinc/91/09/51/535910951.db2.gz LJNLVPUINUCEBJ-PBHICJAKSA-N 1 3 319.449 2.473 20 0 DEADHO C[NH+](C)CCOc1cnccc1CN[C@H]1CC(C)(C)OC1(C)C ZINC000344037195 535919726 /nfs/dbraw/zinc/91/97/26/535919726.db2.gz IIEUOVOSUHUOSC-INIZCTEOSA-N 1 3 321.465 2.458 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000347624440 536009625 /nfs/dbraw/zinc/00/96/25/536009625.db2.gz NHINPPPXUCIIEV-SQNIBIBYSA-N 1 3 315.461 2.285 20 0 DEADHO CN(C)Cc1cccc(CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])c1 ZINC000263107198 536034080 /nfs/dbraw/zinc/03/40/80/536034080.db2.gz AAOQKHYCYDAYRX-AEFFLSMTSA-N 1 3 303.450 2.272 20 0 DEADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)C[C@@H]1COCCO1 ZINC000450652988 536323610 /nfs/dbraw/zinc/32/36/10/536323610.db2.gz ONLLSMALPIOUQR-GOSISDBHSA-N 1 3 319.449 2.035 20 0 DEADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)C[C@@H]1COCCO1 ZINC000450652988 536323614 /nfs/dbraw/zinc/32/36/14/536323614.db2.gz ONLLSMALPIOUQR-GOSISDBHSA-N 1 3 319.449 2.035 20 0 DEADHO CN1CCC(CC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000346957330 536336944 /nfs/dbraw/zinc/33/69/44/536336944.db2.gz BPJIKTCYCNONLX-KRWDZBQOSA-N 1 3 307.482 2.099 20 0 DEADHO CN1CCC(CC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000346957330 536336947 /nfs/dbraw/zinc/33/69/47/536336947.db2.gz BPJIKTCYCNONLX-KRWDZBQOSA-N 1 3 307.482 2.099 20 0 DEADHO CN[C@H](CC(C)(C)C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000449139596 536408004 /nfs/dbraw/zinc/40/80/04/536408004.db2.gz LRJRAXSITIWLOI-OWCLPIDISA-N 1 3 309.498 2.484 20 0 DEADHO CN[C@H](CC(C)(C)C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000449139596 536408005 /nfs/dbraw/zinc/40/80/05/536408005.db2.gz LRJRAXSITIWLOI-OWCLPIDISA-N 1 3 309.498 2.484 20 0 DEADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000449097638 536408820 /nfs/dbraw/zinc/40/88/20/536408820.db2.gz FFJFCRRXGWXOEA-DLBZAZTESA-N 1 3 319.493 2.300 20 0 DEADHO COc1cc(OC)c(OC)cc1CN1CCC2(C1)CC[NH2+]CC2 ZINC000261967224 536866491 /nfs/dbraw/zinc/86/64/91/536866491.db2.gz HWOYZEAPSJGNLI-UHFFFAOYSA-N 1 3 320.433 2.288 20 0 DEADHO Cc1ccc(CN(CC[NH+](C)C)C(=O)CN(C)CC(C)(C)C)o1 ZINC001361975572 1152791104 /nfs/dbraw/zinc/79/11/04/1152791104.db2.gz OKXYAVDYGNOBKP-UHFFFAOYSA-N 1 3 323.481 2.456 20 0 DEADHO CC[C@@H](F)CN1CCC[C@@H](NC(=O)CC[N@H+](C)CC)CC1 ZINC001380942937 1152882740 /nfs/dbraw/zinc/88/27/40/1152882740.db2.gz XUYUTHUXBIPRGV-HUUCEWRRSA-N 1 3 301.450 2.047 20 0 DEADHO CC[C@@H](F)CN1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001380942937 1152882742 /nfs/dbraw/zinc/88/27/42/1152882742.db2.gz XUYUTHUXBIPRGV-HUUCEWRRSA-N 1 3 301.450 2.047 20 0 DEADHO CCC(CC)C[N@@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001381987266 1153306632 /nfs/dbraw/zinc/30/66/32/1153306632.db2.gz FFGPAIVJIKKLQY-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CC3CCC3)C2)CC1 ZINC000972611397 625354922 /nfs/dbraw/zinc/35/49/22/625354922.db2.gz BKHYZAPHQMVSBM-QGZVFWFLSA-N 1 3 307.482 2.051 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CC3CCC3)C2)CC1 ZINC000972611397 625354923 /nfs/dbraw/zinc/35/49/23/625354923.db2.gz BKHYZAPHQMVSBM-QGZVFWFLSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]21 ZINC001026385862 625394067 /nfs/dbraw/zinc/39/40/67/625394067.db2.gz IGNPZDUITYZWCF-RCCFBDPRSA-N 1 3 321.509 2.201 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CC2)CC1 ZINC001026504063 625486301 /nfs/dbraw/zinc/48/63/01/625486301.db2.gz UUKUZZSEMDXNOC-OFLPRAFFSA-N 1 3 307.482 2.288 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000892731137 625502085 /nfs/dbraw/zinc/50/20/85/625502085.db2.gz ARUCPTKPSVYMER-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO CC[NH+](CC)CCO[C@H]1CCN(c2cc(N)ncc2Cl)C1 ZINC000892775199 625581767 /nfs/dbraw/zinc/58/17/67/625581767.db2.gz UHXXDQGLHDNTNZ-LBPRGKRZSA-N 1 3 312.845 2.254 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCC2)C1 ZINC000969650164 622864107 /nfs/dbraw/zinc/86/41/07/622864107.db2.gz QLSNWOXEMDZQJA-RHSMWYFYSA-N 1 3 307.482 2.096 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCCC2)C1 ZINC000969794133 622923891 /nfs/dbraw/zinc/92/38/91/622923891.db2.gz VOAQNZJJJXCQFY-MAUKXSAKSA-N 1 3 321.509 2.488 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](NCc3ccccc3Cl)C2)C1 ZINC001021044236 623306291 /nfs/dbraw/zinc/30/62/91/623306291.db2.gz KTPIVFCGZWDIHE-KKUMJFAQSA-N 1 3 321.852 2.029 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](NCc3ccccc3Cl)C2)C1 ZINC001021044236 623306295 /nfs/dbraw/zinc/30/62/95/623306295.db2.gz KTPIVFCGZWDIHE-KKUMJFAQSA-N 1 3 321.852 2.029 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCC2)C1 ZINC001021090877 623336954 /nfs/dbraw/zinc/33/69/54/623336954.db2.gz MSSBWDLPRVYMMV-OTRWWLKZSA-N 1 3 307.482 2.286 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CC2)C1 ZINC000970530407 623522747 /nfs/dbraw/zinc/52/27/47/623522747.db2.gz ZBJFBGNCIPIZIG-YOEHRIQHSA-N 1 3 307.482 2.096 20 0 DEADHO Cc1cc(C)cc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC000970719607 623641978 /nfs/dbraw/zinc/64/19/78/623641978.db2.gz JBBRRAROWAIWPD-GOSISDBHSA-N 1 3 315.461 2.090 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCC2)C1 ZINC001024278136 625685617 /nfs/dbraw/zinc/68/56/17/625685617.db2.gz DLPVAUUFFNDGLZ-MSOLQXFVSA-N 1 3 321.509 2.489 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001026732288 625693494 /nfs/dbraw/zinc/69/34/94/625693494.db2.gz BLYJPGNDPPVGJH-IRXDYDNUSA-N 1 3 307.482 2.099 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001026733211 625701530 /nfs/dbraw/zinc/70/15/30/625701530.db2.gz JIMQVEDPLWIGAM-WMZOPIPTSA-N 1 3 315.461 2.027 20 0 DEADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000891433863 624168244 /nfs/dbraw/zinc/16/82/44/624168244.db2.gz FONXEJDSHOKILS-CABCVRRESA-N 1 3 322.497 2.174 20 0 DEADHO C[C@H]1CCC[N@@H+]1CCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000891475185 624211089 /nfs/dbraw/zinc/21/10/89/624211089.db2.gz CZLZMDANJFDIGS-RDJZCZTQSA-N 1 3 318.465 2.073 20 0 DEADHO C[C@H]1CCC[N@H+]1CCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000891475185 624211090 /nfs/dbraw/zinc/21/10/90/624211090.db2.gz CZLZMDANJFDIGS-RDJZCZTQSA-N 1 3 318.465 2.073 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H]([N@H+](C)CC3CC(C)(C)C3)C2)CCC1 ZINC000971674510 624499365 /nfs/dbraw/zinc/49/93/65/624499365.db2.gz UGODMMDHMPVMOH-INIZCTEOSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H]([N@@H+](C)CC3CC(C)(C)C3)C2)CCC1 ZINC000971674510 624499366 /nfs/dbraw/zinc/49/93/66/624499366.db2.gz UGODMMDHMPVMOH-INIZCTEOSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CCC2CCCC2)C1)C1CC1 ZINC000971679832 624501883 /nfs/dbraw/zinc/50/18/83/624501883.db2.gz VMYRCNRZLDARIE-ROUUACIJSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCC2CCCC2)C1)C1CC1 ZINC000971679832 624501885 /nfs/dbraw/zinc/50/18/85/624501885.db2.gz VMYRCNRZLDARIE-ROUUACIJSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)C1CC1 ZINC000971685489 624505361 /nfs/dbraw/zinc/50/53/61/624505361.db2.gz NGKGPRZDESUNHH-ROUUACIJSA-N 1 3 315.461 2.060 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)C1CC1 ZINC000971685489 624505362 /nfs/dbraw/zinc/50/53/62/624505362.db2.gz NGKGPRZDESUNHH-ROUUACIJSA-N 1 3 315.461 2.060 20 0 DEADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2cnn(C)c2C2CC2)C1 ZINC000892145801 624795915 /nfs/dbraw/zinc/79/59/15/624795915.db2.gz URCMMPMJSSPCNY-KRWDZBQOSA-N 1 3 320.481 2.230 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC2CCCC2)C1)N(C)C ZINC000972264390 624909856 /nfs/dbraw/zinc/90/98/56/624909856.db2.gz GNZULBQEBVWFRC-IAGOWNOFSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2CCCC2)C1)N(C)C ZINC000972264390 624909858 /nfs/dbraw/zinc/90/98/58/624909858.db2.gz GNZULBQEBVWFRC-IAGOWNOFSA-N 1 3 309.498 2.296 20 0 DEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000892286861 624939672 /nfs/dbraw/zinc/93/96/72/624939672.db2.gz TTWYFZUKKWSNPC-VVLHAWIVSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000892286861 624939675 /nfs/dbraw/zinc/93/96/75/624939675.db2.gz TTWYFZUKKWSNPC-VVLHAWIVSA-N 1 3 324.513 2.088 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC2CCCCC2)C1)N(C)C ZINC000972355230 624939776 /nfs/dbraw/zinc/93/97/76/624939776.db2.gz TUKORGZEYBBTOE-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC2CCCCC2)C1)N(C)C ZINC000972355230 624939777 /nfs/dbraw/zinc/93/97/77/624939777.db2.gz TUKORGZEYBBTOE-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CN(C)C1(C(=O)N2CCCC[C@@H]2C[NH2+]CC2CCC2)CCC1 ZINC001024982133 625126689 /nfs/dbraw/zinc/12/66/89/625126689.db2.gz FZVPZSFWCUHBJP-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CC1(C)[C@H]([NH2+]C2CCN(CC(F)F)CC2)[C@@H]2CCCN[C@@H]21 ZINC000925534240 625237741 /nfs/dbraw/zinc/23/77/41/625237741.db2.gz KOPXZJGFPKFFJT-VHDGCEQUSA-N 1 3 301.425 2.082 20 0 DEADHO C[C@@H](NC1CN(c2ccncn2)C1)c1cccc(C[NH+](C)C)c1 ZINC000926793486 625257247 /nfs/dbraw/zinc/25/72/47/625257247.db2.gz PDJJOKSCNHPVNV-CQSZACIVSA-N 1 3 311.433 2.078 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N1CC[C@@H]2[C@H]1CCCN2C)C(C)C ZINC000893370066 625766233 /nfs/dbraw/zinc/76/62/33/625766233.db2.gz IRBNPLFNTWSROX-IAGOWNOFSA-N 1 3 324.513 2.373 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)C(C)(C)N2CCCC2)CC[N@@H+]1CC1CC1 ZINC000947615735 625866418 /nfs/dbraw/zinc/86/64/18/625866418.db2.gz KTSQNEDIVKHFFA-GDBMZVCRSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)C(C)(C)N2CCCC2)CC[N@H+]1CC1CC1 ZINC000947615735 625866419 /nfs/dbraw/zinc/86/64/19/625866419.db2.gz KTSQNEDIVKHFFA-GDBMZVCRSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC2CCC2)C1 ZINC000999142550 634492579 /nfs/dbraw/zinc/49/25/79/634492579.db2.gz BCFPAJPXSBFAEX-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC2CCC2)C1 ZINC000999142547 634492609 /nfs/dbraw/zinc/49/26/09/634492609.db2.gz BCFPAJPXSBFAEX-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)C2CC([NH2+]Cc3ccsc3)C2)C1 ZINC000999409014 634585900 /nfs/dbraw/zinc/58/59/00/634585900.db2.gz OADQLOMPLMEAMB-IUDNXUCKSA-N 1 3 321.490 2.169 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCc2ccccc2)C1)N(C)C ZINC000999490064 634620047 /nfs/dbraw/zinc/62/00/47/634620047.db2.gz OCYHAODWDTXXNL-QZTJIDSGSA-N 1 3 317.477 2.150 20 0 DEADHO CC[NH+]1CCC(CNCc2ccc(C(=O)OC)cc2F)CC1 ZINC000921687270 634686272 /nfs/dbraw/zinc/68/62/72/634686272.db2.gz ZPHGDMQPFARLNA-UHFFFAOYSA-N 1 3 308.397 2.434 20 0 DEADHO CC(C)[NH2+]C1CC(N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC000999864797 634695851 /nfs/dbraw/zinc/69/58/51/634695851.db2.gz BKXUFHLTRSIVDI-UHFFFAOYSA-N 1 3 303.450 2.349 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCC2CC2)C1 ZINC000999876635 634698032 /nfs/dbraw/zinc/69/80/32/634698032.db2.gz QFXIFSDPUJVQBX-OFLPRAFFSA-N 1 3 307.482 2.240 20 0 DEADHO CCC[NH2+][C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC1(C)C ZINC000995823974 633123743 /nfs/dbraw/zinc/12/37/43/633123743.db2.gz PDZBOCAKYWMZKK-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3)C2)CCC1 ZINC001026885065 633241173 /nfs/dbraw/zinc/24/11/73/633241173.db2.gz FMJMUBMIKRAZOS-KRWDZBQOSA-N 1 3 315.461 2.109 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@H](C[NH2+]CC2CC(C)(C)C2)C1)C1CC1 ZINC001026888936 633243433 /nfs/dbraw/zinc/24/34/33/633243433.db2.gz PHZACOIBQVDYLB-PBHICJAKSA-N 1 3 321.509 2.201 20 0 DEADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CC1CCCCC1 ZINC000996354420 633246621 /nfs/dbraw/zinc/24/66/21/633246621.db2.gz HLMZBRRMCJXYDX-INIZCTEOSA-N 1 3 318.465 2.359 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+]CC3CC(C)(C)C3)C2)CCC1 ZINC001026886501 633247045 /nfs/dbraw/zinc/24/70/45/633247045.db2.gz YZAKIANYVNSYGF-OAHLLOKOSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccsc2)C1)N(C)C ZINC001026901135 633249111 /nfs/dbraw/zinc/24/91/11/633249111.db2.gz JCRGRMGFMFZQFE-ZBFHGGJFSA-N 1 3 323.506 2.272 20 0 DEADHO CC(C)[NH2+][C@H]1CN(C(=O)[C@H](C)N2CCCCCC2)CC1(C)C ZINC000996372520 633249608 /nfs/dbraw/zinc/24/96/08/633249608.db2.gz DJYSHZVFICVPFS-HOTGVXAUSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CC2)CC1(C)C ZINC000974760298 633284215 /nfs/dbraw/zinc/28/42/15/633284215.db2.gz QGPFOKPGFQMIPR-DLBZAZTESA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC2)CC1(C)C ZINC000974760298 633284222 /nfs/dbraw/zinc/28/42/22/633284222.db2.gz QGPFOKPGFQMIPR-DLBZAZTESA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)CC[N@@H+]1C[C@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC000974773668 633296340 /nfs/dbraw/zinc/29/63/40/633296340.db2.gz IQMNRBJVSIIXRU-INIZCTEOSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CC[N@H+]1C[C@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC000974773668 633296345 /nfs/dbraw/zinc/29/63/45/633296345.db2.gz IQMNRBJVSIIXRU-INIZCTEOSA-N 1 3 321.509 2.488 20 0 DEADHO CC1(C)C[N@H+](CC2CC2)C[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000974863400 633339030 /nfs/dbraw/zinc/33/90/30/633339030.db2.gz ORTXCZSCBNSVSB-IAGOWNOFSA-N 1 3 319.493 2.097 20 0 DEADHO CC1(C)C[N@@H+](CC2CC2)C[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000974863400 633339032 /nfs/dbraw/zinc/33/90/32/633339032.db2.gz ORTXCZSCBNSVSB-IAGOWNOFSA-N 1 3 319.493 2.097 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCC2)C1 ZINC001027234784 633505874 /nfs/dbraw/zinc/50/58/74/633505874.db2.gz FBQDCZLRXVWIEJ-IAGOWNOFSA-N 1 3 307.482 2.099 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(CC3=CCCCC3)C2)C1 ZINC001009520903 633671590 /nfs/dbraw/zinc/67/15/90/633671590.db2.gz YLSHUQXGAOSZMI-DLBZAZTESA-N 1 3 305.466 2.019 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(CC3=CCCCC3)C2)C1 ZINC001009520903 633671593 /nfs/dbraw/zinc/67/15/93/633671593.db2.gz YLSHUQXGAOSZMI-DLBZAZTESA-N 1 3 305.466 2.019 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCN(CC3=CCCCC3)C2)C1 ZINC001009520915 633672138 /nfs/dbraw/zinc/67/21/38/633672138.db2.gz YLSHUQXGAOSZMI-IRXDYDNUSA-N 1 3 305.466 2.019 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCN(CC3=CCCCC3)C2)C1 ZINC001009520915 633672141 /nfs/dbraw/zinc/67/21/41/633672141.db2.gz YLSHUQXGAOSZMI-IRXDYDNUSA-N 1 3 305.466 2.019 20 0 DEADHO COCC[NH+]1CCC(NCc2ccc3c(c2)C[C@@H](C)O3)CC1 ZINC000921595996 633743461 /nfs/dbraw/zinc/74/34/61/633743461.db2.gz RWWZAYRIALYXFX-CQSZACIVSA-N 1 3 304.434 2.210 20 0 DEADHO CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC000997586773 633886200 /nfs/dbraw/zinc/88/62/00/633886200.db2.gz KABBETQTSCACLY-RDJZCZTQSA-N 1 3 309.498 2.486 20 0 DEADHO CC[NH2+]CC1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000998080902 634133209 /nfs/dbraw/zinc/13/32/09/634133209.db2.gz FMIYVROUHZANRN-KRWDZBQOSA-N 1 3 313.461 2.047 20 0 DEADHO CC1CC(C[NH2+]CC2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC000998081560 634133871 /nfs/dbraw/zinc/13/38/71/634133871.db2.gz JMLLZAXNVDNCGT-HJOIGYKYSA-N 1 3 321.509 2.203 20 0 DEADHO Cc1ccccc1C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980404580 634988909 /nfs/dbraw/zinc/98/89/09/634988909.db2.gz CFEKGSNFMPRVBJ-GOSISDBHSA-N 1 3 315.461 2.124 20 0 DEADHO Cc1ccccc1C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980404580 634988913 /nfs/dbraw/zinc/98/89/13/634988913.db2.gz CFEKGSNFMPRVBJ-GOSISDBHSA-N 1 3 315.461 2.124 20 0 DEADHO C[C@@H]1C[C@H](C[NH2+]CC2=CCCCC2)CN1C(=O)Cc1c[nH]cn1 ZINC000980709505 635109126 /nfs/dbraw/zinc/10/91/26/635109126.db2.gz YCVIAAQTVOMVEE-GDBMZVCRSA-N 1 3 316.449 2.279 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001000311413 635141877 /nfs/dbraw/zinc/14/18/77/635141877.db2.gz IAOFUOMUWGVCDD-MRXNPFEDSA-N 1 3 312.417 2.041 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCC1=CC[N@H+](CC2CC2)CC1 ZINC001000680970 635274302 /nfs/dbraw/zinc/27/43/02/635274302.db2.gz XOJKOTXIYGTESP-QGZVFWFLSA-N 1 3 305.466 2.018 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCC1=CC[N@@H+](CC2CC2)CC1 ZINC001000680970 635274304 /nfs/dbraw/zinc/27/43/04/635274304.db2.gz XOJKOTXIYGTESP-QGZVFWFLSA-N 1 3 305.466 2.018 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CCC[N@H+](CCC2CC2)CC1 ZINC000981282660 635420277 /nfs/dbraw/zinc/42/02/77/635420277.db2.gz ICYJPCIFRYICAM-KRWDZBQOSA-N 1 3 307.482 2.195 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CCC[N@@H+](CCC2CC2)CC1 ZINC000981282660 635420281 /nfs/dbraw/zinc/42/02/81/635420281.db2.gz ICYJPCIFRYICAM-KRWDZBQOSA-N 1 3 307.482 2.195 20 0 DEADHO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCCN(CC2CC2)CC1 ZINC000981330679 635437448 /nfs/dbraw/zinc/43/74/48/635437448.db2.gz GXCIYSASDGFZSV-SFHVURJKSA-N 1 3 319.493 2.338 20 0 DEADHO O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCCN(CC2CC2)CC1 ZINC000981330679 635437454 /nfs/dbraw/zinc/43/74/54/635437454.db2.gz GXCIYSASDGFZSV-SFHVURJKSA-N 1 3 319.493 2.338 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1CC[NH+](C(C)C)CC1 ZINC001001911200 635574126 /nfs/dbraw/zinc/57/41/26/635574126.db2.gz MWYMILPUTLNGMO-QGZVFWFLSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC000981814005 635660724 /nfs/dbraw/zinc/66/07/24/635660724.db2.gz UNALLLGKGMUPPF-QGZVFWFLSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC000981814005 635660728 /nfs/dbraw/zinc/66/07/28/635660728.db2.gz UNALLLGKGMUPPF-QGZVFWFLSA-N 1 3 321.509 2.297 20 0 DEADHO CCCC[N@@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC000981812956 635666822 /nfs/dbraw/zinc/66/68/22/635666822.db2.gz ZORXVUQHZVXWIA-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CCCC[N@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC000981812956 635666825 /nfs/dbraw/zinc/66/68/25/635666825.db2.gz ZORXVUQHZVXWIA-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001016331175 635790123 /nfs/dbraw/zinc/79/01/23/635790123.db2.gz YPAJTZXBNRWGIF-QGZVFWFLSA-N 1 3 315.461 2.352 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001016331175 635790128 /nfs/dbraw/zinc/79/01/28/635790128.db2.gz YPAJTZXBNRWGIF-QGZVFWFLSA-N 1 3 315.461 2.352 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@]2(C)C[N@H+](CC3CC3)C[C@]2(C)C1)N(C)C ZINC000982301710 635957610 /nfs/dbraw/zinc/95/76/10/635957610.db2.gz WGKFBXSEOXRWBR-YTQUADARSA-N 1 3 321.509 2.153 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@]2(C)C[N@@H+](CC3CC3)C[C@]2(C)C1)N(C)C ZINC000982301710 635957613 /nfs/dbraw/zinc/95/76/13/635957613.db2.gz WGKFBXSEOXRWBR-YTQUADARSA-N 1 3 321.509 2.153 20 0 DEADHO CC1CC(C[NH+]2CCC(NC(=O)C(C)(C)N3CCCC3)CC2)C1 ZINC001003423664 635965507 /nfs/dbraw/zinc/96/55/07/635965507.db2.gz MFJCGFIJSDBKED-UHFFFAOYSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001003629021 636007812 /nfs/dbraw/zinc/00/78/12/636007812.db2.gz WXCQHWYOUYQFFX-MRXNPFEDSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1ccccc1F)C2 ZINC000922389651 636151102 /nfs/dbraw/zinc/15/11/02/636151102.db2.gz VKALYUWTHJCNRS-TVFCKZIOSA-N 1 3 306.425 2.395 20 0 DEADHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1ccccc1F)C2 ZINC000922389651 636151103 /nfs/dbraw/zinc/15/11/03/636151103.db2.gz VKALYUWTHJCNRS-TVFCKZIOSA-N 1 3 306.425 2.395 20 0 DEADHO Cc1cc(CN[C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)sn1 ZINC000922391667 636153751 /nfs/dbraw/zinc/15/37/51/636153751.db2.gz XYASLAUIJUAEIM-LVQVYYBASA-N 1 3 309.479 2.021 20 0 DEADHO Cc1cc(CN[C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)sn1 ZINC000922391667 636153755 /nfs/dbraw/zinc/15/37/55/636153755.db2.gz XYASLAUIJUAEIM-LVQVYYBASA-N 1 3 309.479 2.021 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3ccccn3)C2)[C@@H]1C(C)C ZINC000922394383 636155687 /nfs/dbraw/zinc/15/56/87/636155687.db2.gz VRFAPKRTTXYWTI-ZJPYXAASSA-N 1 3 303.450 2.041 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3ccccn3)C2)[C@@H]1C(C)C ZINC000922394383 636155690 /nfs/dbraw/zinc/15/56/90/636155690.db2.gz VRFAPKRTTXYWTI-ZJPYXAASSA-N 1 3 303.450 2.041 20 0 DEADHO Cc1cc(CN2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cs1 ZINC001004146725 636180036 /nfs/dbraw/zinc/18/00/36/636180036.db2.gz ABMOPMHNYSNNPC-OAHLLOKOSA-N 1 3 321.490 2.089 20 0 DEADHO Cc1cc(CN2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cs1 ZINC001004146725 636180039 /nfs/dbraw/zinc/18/00/39/636180039.db2.gz ABMOPMHNYSNNPC-OAHLLOKOSA-N 1 3 321.490 2.089 20 0 DEADHO CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC000982520782 636216796 /nfs/dbraw/zinc/21/67/96/636216796.db2.gz VPIDWWWUEUPFQS-NXHRZFHOSA-N 1 3 309.498 2.153 20 0 DEADHO CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC000982520782 636216800 /nfs/dbraw/zinc/21/68/00/636216800.db2.gz VPIDWWWUEUPFQS-NXHRZFHOSA-N 1 3 309.498 2.153 20 0 DEADHO CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982552607 636262551 /nfs/dbraw/zinc/26/25/51/636262551.db2.gz ACXQYOMAQKGYIL-NXHRZFHOSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982552607 636262578 /nfs/dbraw/zinc/26/25/78/636262578.db2.gz ACXQYOMAQKGYIL-NXHRZFHOSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1C[C@]2(C)C[N@H+](CC3CC3)C[C@]2(C)C1 ZINC000982553684 636262680 /nfs/dbraw/zinc/26/26/80/636262680.db2.gz OLDYDDZFXZPHSO-ZYSHUDEJSA-N 1 3 319.493 2.051 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1C[C@]2(C)C[N@@H+](CC3CC3)C[C@]2(C)C1 ZINC000982553684 636262683 /nfs/dbraw/zinc/26/26/83/636262683.db2.gz OLDYDDZFXZPHSO-ZYSHUDEJSA-N 1 3 319.493 2.051 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000927773343 636386945 /nfs/dbraw/zinc/38/69/45/636386945.db2.gz IQERRWQQUDMESV-BRWVUGGUSA-N 1 3 307.482 2.240 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004548201 636484508 /nfs/dbraw/zinc/48/45/08/636484508.db2.gz QLNWCTMWQYIBLM-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004548201 636484512 /nfs/dbraw/zinc/48/45/12/636484512.db2.gz QLNWCTMWQYIBLM-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC([C@H]2CCC[N@H+]2CCCF)CC1 ZINC001004578248 636491037 /nfs/dbraw/zinc/49/10/37/636491037.db2.gz ISOXRYDAYAEXKB-MRXNPFEDSA-N 1 3 322.428 2.015 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC([C@H]2CCC[N@@H+]2CCCF)CC1 ZINC001004578248 636491039 /nfs/dbraw/zinc/49/10/39/636491039.db2.gz ISOXRYDAYAEXKB-MRXNPFEDSA-N 1 3 322.428 2.015 20 0 DEADHO CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982832075 636496904 /nfs/dbraw/zinc/49/69/04/636496904.db2.gz UFELXBSKPFMDBD-AMBYYYRHSA-N 1 3 321.509 2.440 20 0 DEADHO CCC[N@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982832075 636496909 /nfs/dbraw/zinc/49/69/09/636496909.db2.gz UFELXBSKPFMDBD-AMBYYYRHSA-N 1 3 321.509 2.440 20 0 DEADHO COC(=O)c1[nH]c2ccccc2c1C[NH2+]C[C@H]1CCCN(C)C1 ZINC000894253481 636573566 /nfs/dbraw/zinc/57/35/66/636573566.db2.gz CQFXEZRLELWXMQ-CYBMUJFWSA-N 1 3 315.417 2.386 20 0 DEADHO CC(C)CCN1CCC([NH2+][C@H](C)[C@H](C)N2CCOCC2)CC1 ZINC000924974004 636729922 /nfs/dbraw/zinc/72/99/22/636729922.db2.gz QOLZCASAZMXDCL-SJORKVTESA-N 1 3 311.514 2.196 20 0 DEADHO Cc1ncoc1CNCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000894303996 636759872 /nfs/dbraw/zinc/75/98/72/636759872.db2.gz KVIHBVLKHJMIKL-UHFFFAOYSA-N 1 3 306.454 2.023 20 0 DEADHO CC(C)[C@](C)(C[NH3+])NC[C@H](O)COc1ccccc1Cl ZINC000923295651 637096913 /nfs/dbraw/zinc/09/69/13/637096913.db2.gz CWUXEOFUYYTTHF-WFASDCNBSA-N 1 3 300.830 2.043 20 0 DEADHO CC(C)[C@](C)(C[NH3+])NC[C@@H](O)COc1ccc(Cl)cc1 ZINC000923295973 637098207 /nfs/dbraw/zinc/09/82/07/637098207.db2.gz LTIHLGNYUPWXBP-HIFRSBDPSA-N 1 3 300.830 2.043 20 0 DEADHO C[NH2+]CCOCCN(C)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000923404306 637161462 /nfs/dbraw/zinc/16/14/62/637161462.db2.gz ZAHJUFHBQAQYRK-AWEZNQCLSA-N 1 3 321.248 2.195 20 0 DEADHO CC(C)(C)[C@]1(C[NH3+])CCN(C[C@H](O)COc2ccc(F)cc2)C1 ZINC000923412834 637166556 /nfs/dbraw/zinc/16/65/56/637166556.db2.gz BYCALZIPURSTKL-YJBOKZPZSA-N 1 3 324.440 2.262 20 0 DEADHO CC(C)[C@H](NC(=O)CN1CC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000923488008 637202469 /nfs/dbraw/zinc/20/24/69/637202469.db2.gz OWYNJTMJLVPXRZ-YJBOKZPZSA-N 1 3 303.450 2.171 20 0 DEADHO [NH3+]CC[C@@H]1CCN([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000923482292 637203700 /nfs/dbraw/zinc/20/37/00/637203700.db2.gz PVDFAHCWIWQDCP-IUODEOHRSA-N 1 3 307.825 2.116 20 0 DEADHO C[C@@H]1CN(CC(=O)N(Cc2ccccc2)C2CC2)CC[C@@H]1C[NH3+] ZINC000923500407 637217357 /nfs/dbraw/zinc/21/73/57/637217357.db2.gz PZRRFSQIVJMCFB-NVXWUHKLSA-N 1 3 315.461 2.094 20 0 DEADHO CCN(CC)C(=O)[C@H](C)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923504521 637219716 /nfs/dbraw/zinc/21/97/16/637219716.db2.gz ZMRPAIBESXOWRD-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO NC(=O)c1cccc(CN2CCC([C@H]3CCC[NH2+]CC3)CC2)c1 ZINC000923505645 637220981 /nfs/dbraw/zinc/22/09/81/637220981.db2.gz PEJLAOGGJGFUQS-INIZCTEOSA-N 1 3 315.461 2.387 20 0 DEADHO C[C@@H]([NH2+]CC1CC1)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001029107212 637239945 /nfs/dbraw/zinc/23/99/45/637239945.db2.gz JNVRFOQXGGSFIT-CQSZACIVSA-N 1 3 307.482 2.097 20 0 DEADHO COc1ccc([C@@H](C[NH3+])CN2CCN(C)C[C@H]2CC(C)C)cc1 ZINC000923554697 637244034 /nfs/dbraw/zinc/24/40/34/637244034.db2.gz OLCRZHZNYPWXFL-ZWKOTPCHSA-N 1 3 319.493 2.400 20 0 DEADHO C[C@@H]([NH2+]CC1CCC1)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001029146422 637276487 /nfs/dbraw/zinc/27/64/87/637276487.db2.gz JIEFWQPVEGUHSE-HZPDHXFCSA-N 1 3 321.509 2.345 20 0 DEADHO COc1cc(OC)c(CNCC2CC[NH+](C)CC2)c(OC)c1 ZINC000237188643 637526952 /nfs/dbraw/zinc/52/69/52/637526952.db2.gz XWDWXHMMEUDPSL-UHFFFAOYSA-N 1 3 308.422 2.144 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1)N(C)C ZINC001029347399 637632652 /nfs/dbraw/zinc/63/26/52/637632652.db2.gz UCRVZYJXVHLMDJ-BBWFWOEESA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1)N(C)C ZINC001029347399 637632655 /nfs/dbraw/zinc/63/26/55/637632655.db2.gz UCRVZYJXVHLMDJ-BBWFWOEESA-N 1 3 307.482 2.048 20 0 DEADHO C[C@@H](NCCC(=O)N1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000838930036 637719874 /nfs/dbraw/zinc/71/98/74/637719874.db2.gz QBHAROSPYXNKSQ-HZPDHXFCSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H](NCCC(=O)N1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000838930036 637719882 /nfs/dbraw/zinc/71/98/82/637719882.db2.gz QBHAROSPYXNKSQ-HZPDHXFCSA-N 1 3 307.482 2.242 20 0 DEADHO Cn1nc(Br)cc1CNCC[C@@H]1CCC[N@H+](C)C1 ZINC000839182397 637811774 /nfs/dbraw/zinc/81/17/74/637811774.db2.gz MYPYKYOEMNRLMM-NSHDSACASA-N 1 3 315.259 2.004 20 0 DEADHO Cn1nc(Br)cc1CNCC[C@@H]1CCC[N@@H+](C)C1 ZINC000839182397 637811779 /nfs/dbraw/zinc/81/17/79/637811779.db2.gz MYPYKYOEMNRLMM-NSHDSACASA-N 1 3 315.259 2.004 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]C[C@@]2(C)CCCNC2)C1 ZINC000841057517 650416710 /nfs/dbraw/zinc/41/67/10/650416710.db2.gz OIFTUBZNJHOLOG-IPYPFGDCSA-N 1 3 318.408 2.333 20 0 DEADHO C[C@@H]1CNCC[C@H]1[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000841063423 650419749 /nfs/dbraw/zinc/41/97/49/650419749.db2.gz JBLPAFMYWPUZEF-DNVCBOLYSA-N 1 3 316.493 2.309 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CCC2)C1)N(C)C ZINC001029831601 639527914 /nfs/dbraw/zinc/52/79/14/639527914.db2.gz ZLGPBJJYOAZOLW-IAGOWNOFSA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CCC2)C1)N(C)C ZINC001029831601 639527918 /nfs/dbraw/zinc/52/79/18/639527918.db2.gz ZLGPBJJYOAZOLW-IAGOWNOFSA-N 1 3 309.498 2.153 20 0 DEADHO CC1CCN(CC(=O)N2CCC([N@H+](C)CCC3CC3)CC2)CC1 ZINC000985713650 639596596 /nfs/dbraw/zinc/59/65/96/639596596.db2.gz ZYYKVTPPPHHVPR-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC1CCN(CC(=O)N2CCC([N@@H+](C)CCC3CC3)CC2)CC1 ZINC000985713650 639596601 /nfs/dbraw/zinc/59/66/01/639596601.db2.gz ZYYKVTPPPHHVPR-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO C[N@H+](Cc1ccccc1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985792469 639638309 /nfs/dbraw/zinc/63/83/09/639638309.db2.gz LYDIQSHBFJHJLJ-UHFFFAOYSA-N 1 3 315.461 2.205 20 0 DEADHO C[N@@H+](Cc1ccccc1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985792469 639638313 /nfs/dbraw/zinc/63/83/13/639638313.db2.gz LYDIQSHBFJHJLJ-UHFFFAOYSA-N 1 3 315.461 2.205 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC(C[N@H+](C)CC2CCC2)CC1)C1CC1 ZINC001029970407 639944046 /nfs/dbraw/zinc/94/40/46/639944046.db2.gz YQGMYFFUBAEUAQ-SFHVURJKSA-N 1 3 321.509 2.297 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC(C[N@@H+](C)CC2CCC2)CC1)C1CC1 ZINC001029970407 639944051 /nfs/dbraw/zinc/94/40/51/639944051.db2.gz YQGMYFFUBAEUAQ-SFHVURJKSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@@H]1[C@H]([NH2+]CC2CCC2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986936080 640015953 /nfs/dbraw/zinc/01/59/53/640015953.db2.gz GCTNGNZWXMESNQ-GDBMZVCRSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1[C@@H]([NH2+]CCC2CC2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986938933 640016362 /nfs/dbraw/zinc/01/63/62/640016362.db2.gz LTVZEEGQHZNWKO-ZBFHGGJFSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[N@H+](C)CC2CCC2)CC1 ZINC001029995186 640023363 /nfs/dbraw/zinc/02/33/63/640023363.db2.gz BXFCJXCZCXWMNM-MRXNPFEDSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[N@@H+](C)CC2CCC2)CC1 ZINC001029995186 640023367 /nfs/dbraw/zinc/02/33/67/640023367.db2.gz BXFCJXCZCXWMNM-MRXNPFEDSA-N 1 3 321.509 2.441 20 0 DEADHO COc1ccc(C[C@H](C)CN(C)C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000761739635 640341930 /nfs/dbraw/zinc/34/19/30/640341930.db2.gz DLRYKPFKTOPTSA-FUHWJXTLSA-N 1 3 320.477 2.262 20 0 DEADHO CN(C)C1(C(=O)NCc2ccccc2C[NH+]2CCCC2)CCC1 ZINC000763010521 640490760 /nfs/dbraw/zinc/49/07/60/640490760.db2.gz SXMRHPVVMFKRGM-UHFFFAOYSA-N 1 3 315.461 2.383 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)CN1C(=O)CN(C)C1CCC1 ZINC000988957249 640696614 /nfs/dbraw/zinc/69/66/14/640696614.db2.gz XHKAWVUDVDFIKP-ZBFHGGJFSA-N 1 3 321.509 2.486 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)CN1C(=O)CN(C)C1CCC1 ZINC000988957247 640696712 /nfs/dbraw/zinc/69/67/12/640696712.db2.gz XHKAWVUDVDFIKP-GOEBONIOSA-N 1 3 321.509 2.486 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC2=CCCCC2)CN1C(=O)Cc1c[nH]cn1 ZINC000989493051 641123947 /nfs/dbraw/zinc/12/39/47/641123947.db2.gz QTBITNJHMJWHQB-CZUORRHYSA-N 1 3 302.422 2.032 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC2CCC2)CN1C(=O)CN1CCC(C)CC1 ZINC000989605033 641166753 /nfs/dbraw/zinc/16/67/53/641166753.db2.gz HKBFSKZOHNHVFH-WBVHZDCISA-N 1 3 307.482 2.097 20 0 DEADHO CCc1noc(C)c1[C@H](C)[NH2+]CCCN1CCN(CC)CC1 ZINC000769868568 641303848 /nfs/dbraw/zinc/30/38/48/641303848.db2.gz RDQWEYSNQCLFJC-AWEZNQCLSA-N 1 3 308.470 2.224 20 0 DEADHO C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc([O-])cc(F)c1 ZINC000924631799 641507435 /nfs/dbraw/zinc/50/74/35/641507435.db2.gz JSYJKSDRLGMDKB-CYBMUJFWSA-N 1 3 309.429 2.208 20 0 DEADHO c1ccc2c(c1)CC[C@H]2CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000780284021 642608500 /nfs/dbraw/zinc/60/85/00/642608500.db2.gz APTZTMQIDYHYDV-IBGZPJMESA-N 1 3 313.489 2.430 20 0 DEADHO CC1(C)C[NH2+]CC[C@H](N[C@H]2CCN(c3ncccc3F)C2)C1 ZINC000902345867 643002948 /nfs/dbraw/zinc/00/29/48/643002948.db2.gz MVEUESLCIWJRPL-KBPBESRZSA-N 1 3 306.429 2.167 20 0 DEADHO COc1cc(OC)cc([C@H](O)CN[C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902331047 643007519 /nfs/dbraw/zinc/00/75/19/643007519.db2.gz SAPVAJBVBRPKSJ-WMLDXEAASA-N 1 3 322.449 2.105 20 0 DEADHO CO[C@H]1CCC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000903198269 643283344 /nfs/dbraw/zinc/28/33/44/643283344.db2.gz BTACFMFDUUHXMF-ROUUACIJSA-N 1 3 303.450 2.451 20 0 DEADHO FC(F)(F)[C@@H]1CCCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903718627 643438018 /nfs/dbraw/zinc/43/80/18/643438018.db2.gz PVAGJTOCUNKZSU-CHWSQXEVSA-N 1 3 306.372 2.419 20 0 DEADHO CN(CCOc1ccc(Cl)cc1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717853 643438065 /nfs/dbraw/zinc/43/80/65/643438065.db2.gz DZNATUXVDPHZIC-SJORKVTESA-N 1 3 324.852 2.419 20 0 DEADHO CCCO[C@@H]1CCCN(C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903893697 643499273 /nfs/dbraw/zinc/49/92/73/643499273.db2.gz YUEOWXOALZVXKU-FUHWJXTLSA-N 1 3 322.497 2.127 20 0 DEADHO CCCO[C@@H]1CCC[N@H+](C[C@H](CN)Cc2cnn(C)c2C)CC1 ZINC000903893697 643499276 /nfs/dbraw/zinc/49/92/76/643499276.db2.gz YUEOWXOALZVXKU-FUHWJXTLSA-N 1 3 322.497 2.127 20 0 DEADHO CCCO[C@@H]1CCC[N@@H+](C[C@H](CN)Cc2cnn(C)c2C)CC1 ZINC000903893697 643499278 /nfs/dbraw/zinc/49/92/78/643499278.db2.gz YUEOWXOALZVXKU-FUHWJXTLSA-N 1 3 322.497 2.127 20 0 DEADHO Cn1cc([C@H]2CSCCN2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000903913127 643506428 /nfs/dbraw/zinc/50/64/28/643506428.db2.gz NHZRBUXKKJPVEH-YPAMNDHTSA-N 1 3 306.479 2.041 20 0 DEADHO c1cn(-c2ncccc2CNCc2cccc3c2CC[NH2+]C3)cn1 ZINC000903922880 643509171 /nfs/dbraw/zinc/50/91/71/643509171.db2.gz GLUHWWIIOFXATG-UHFFFAOYSA-N 1 3 319.412 2.203 20 0 DEADHO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CCCN1C1CC1 ZINC000787879434 643556495 /nfs/dbraw/zinc/55/64/95/643556495.db2.gz QCJGOECBAFJVKB-GOSISDBHSA-N 1 3 315.461 2.333 20 0 DEADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cc[nH]c(=O)c1 ZINC000788643460 643631103 /nfs/dbraw/zinc/63/11/03/643631103.db2.gz JRJDVPMOFNPABY-KFWWJZLASA-N 1 3 307.438 2.327 20 0 DEADHO C[C@H]1CN(Cc2ccnn2-c2ccc(F)cc2)CC[C@@H]1C[NH3+] ZINC000904409722 643661048 /nfs/dbraw/zinc/66/10/48/643661048.db2.gz HCZPGGZFAAHXAK-UONOGXRCSA-N 1 3 302.397 2.428 20 0 DEADHO C[C@@](O)(C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C(F)F ZINC000905097912 643799761 /nfs/dbraw/zinc/79/97/61/643799761.db2.gz ONSRCDOWVJNRPP-NVXWUHKLSA-N 1 3 312.404 2.157 20 0 DEADHO Cc1cccc([C@H](O)C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000905129181 643804739 /nfs/dbraw/zinc/80/47/39/643804739.db2.gz WZXNFHVTMMSUED-VQIMIIECSA-N 1 3 318.461 2.119 20 0 DEADHO C[NH+](C)CC1(CNC[C@@H](O)C[C@H](O)c2ccccc2)CCCC1 ZINC000905215148 643833541 /nfs/dbraw/zinc/83/35/41/643833541.db2.gz YEPCVTGQDYBKSG-ROUUACIJSA-N 1 3 320.477 2.183 20 0 DEADHO C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc[nH]c(=O)c1 ZINC000791135493 643932816 /nfs/dbraw/zinc/93/28/16/643932816.db2.gz JOHBABZTNHXTIC-IAOVAPTHSA-N 1 3 319.449 2.206 20 0 DEADHO CCc1nn(C)c(Cl)c1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125009 650901570 /nfs/dbraw/zinc/90/15/70/650901570.db2.gz LALXGUQLBJOHSG-QWHCGFSZSA-N 1 3 310.873 2.457 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C)N(C)C ZINC000907635523 644597307 /nfs/dbraw/zinc/59/73/07/644597307.db2.gz KXTUHTSRTRMZCV-XIRDDKMYSA-N 1 3 305.466 2.443 20 0 DEADHO C[N@@H+]1CC[C@H](NCCNC(=O)c2ccc(F)cc2)[C@H]2CCC[C@@H]21 ZINC000796705945 644778801 /nfs/dbraw/zinc/77/88/01/644778801.db2.gz XLQZWPNEYVKGPP-IKGGRYGDSA-N 1 3 319.424 2.018 20 0 DEADHO C[N@H+]1CC[C@H](NCCNC(=O)c2ccc(F)cc2)[C@H]2CCC[C@@H]21 ZINC000796705945 644778808 /nfs/dbraw/zinc/77/88/08/644778808.db2.gz XLQZWPNEYVKGPP-IKGGRYGDSA-N 1 3 319.424 2.018 20 0 DEADHO CCCCCCNC(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843387223 650963419 /nfs/dbraw/zinc/96/34/19/650963419.db2.gz PHPIZOXAPOKAJV-SJORKVTESA-N 1 3 309.498 2.395 20 0 DEADHO CC[NH+](CC)CC1CCN(C[C@H](O)c2ccc(F)cn2)CC1 ZINC000799295229 645149560 /nfs/dbraw/zinc/14/95/60/645149560.db2.gz DDKCJJPNIHUBIO-KRWDZBQOSA-N 1 3 309.429 2.308 20 0 DEADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000911202058 645650976 /nfs/dbraw/zinc/65/09/76/645650976.db2.gz UNZGJFROCZATEN-INIZCTEOSA-N 1 3 314.433 2.457 20 0 DEADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000911202058 645650978 /nfs/dbraw/zinc/65/09/78/645650978.db2.gz UNZGJFROCZATEN-INIZCTEOSA-N 1 3 314.433 2.457 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC000912285964 646009417 /nfs/dbraw/zinc/00/94/17/646009417.db2.gz ZCLVOQFKUVZVFC-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC000912285964 646009420 /nfs/dbraw/zinc/00/94/20/646009420.db2.gz ZCLVOQFKUVZVFC-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO Fc1ccc(CCNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(Cl)c1 ZINC000811478376 646534799 /nfs/dbraw/zinc/53/47/99/646534799.db2.gz IMFJAWZGGAQYPP-LSDHHAIUSA-N 1 3 312.816 2.474 20 0 DEADHO Fc1ccc(CCNC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(Cl)c1 ZINC000811478376 646534803 /nfs/dbraw/zinc/53/48/03/646534803.db2.gz IMFJAWZGGAQYPP-LSDHHAIUSA-N 1 3 312.816 2.474 20 0 DEADHO CCC[N@@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC000992015431 646829204 /nfs/dbraw/zinc/82/92/04/646829204.db2.gz VDOVPTRJAMQJQS-ZIFCJYIRSA-N 1 3 319.493 2.384 20 0 DEADHO CCC[N@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC000992015431 646829206 /nfs/dbraw/zinc/82/92/06/646829206.db2.gz VDOVPTRJAMQJQS-ZIFCJYIRSA-N 1 3 319.493 2.384 20 0 DEADHO c1ccc(C[NH+]2CCC3(CCN(CC4OCCO4)C3)CC2)cc1 ZINC000814640132 646915793 /nfs/dbraw/zinc/91/57/93/646915793.db2.gz TXUPEMKEZJFLHS-UHFFFAOYSA-N 1 3 316.445 2.347 20 0 DEADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCCc2cnn(C)n2)CC1 ZINC000815638783 647037539 /nfs/dbraw/zinc/03/75/39/647037539.db2.gz FKWPGNYTQNXXEK-CRAIPNDOSA-N 1 3 319.497 2.380 20 0 DEADHO Cn1ncc(CCCNC2CC[NH+](C3CCCCC3)CC2)n1 ZINC000815640140 647037676 /nfs/dbraw/zinc/03/76/76/647037676.db2.gz QBZAPSXKKBEMAI-UHFFFAOYSA-N 1 3 305.470 2.134 20 0 DEADHO Cn1ncc(CCC[NH2+]C2CCN(C3CCCCC3)CC2)n1 ZINC000815640140 647037679 /nfs/dbraw/zinc/03/76/79/647037679.db2.gz QBZAPSXKKBEMAI-UHFFFAOYSA-N 1 3 305.470 2.134 20 0 DEADHO C[C@H]1[C@@H](NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCN1C ZINC000914100982 647155020 /nfs/dbraw/zinc/15/50/20/647155020.db2.gz UNLDUOCJPXYDQN-YVSFHVDLSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@H]1[C@@H](NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCN1C ZINC000914100982 647155025 /nfs/dbraw/zinc/15/50/25/647155025.db2.gz UNLDUOCJPXYDQN-YVSFHVDLSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000817901434 647377600 /nfs/dbraw/zinc/37/76/00/647377600.db2.gz VPZQCZDMGBHVPP-CWSCBRNRSA-N 1 3 306.328 2.334 20 0 DEADHO O[C@@H](C[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1 ZINC000819173730 647600943 /nfs/dbraw/zinc/60/09/43/647600943.db2.gz MKXQKNWAWGWRFL-FHWLQOOXSA-N 1 3 318.461 2.078 20 0 DEADHO CCCC[N@@H+]1CCC[C@H](NC(=O)C23CCCN2CCC3)[C@H]1C ZINC000993525043 647689086 /nfs/dbraw/zinc/68/90/86/647689086.db2.gz DNQICECPTONJSM-CVEARBPZSA-N 1 3 307.482 2.384 20 0 DEADHO CCCC[N@H+]1CCC[C@H](NC(=O)C23CCCN2CCC3)[C@H]1C ZINC000993525043 647689089 /nfs/dbraw/zinc/68/90/89/647689089.db2.gz DNQICECPTONJSM-CVEARBPZSA-N 1 3 307.482 2.384 20 0 DEADHO CC(C)N1CC[C@@H](N[C@H](C)c2cccc(C[NH+](C)C)c2)C1=O ZINC000820814834 647923768 /nfs/dbraw/zinc/92/37/68/647923768.db2.gz MQONOYJGCVFQOL-RHSMWYFYSA-N 1 3 303.450 2.408 20 0 DEADHO C[NH+](C)CCOc1cccc(-c2noc([C@@H]3C[C@H]4C[C@H]4N3)n2)c1 ZINC000822802825 648291429 /nfs/dbraw/zinc/29/14/29/648291429.db2.gz CRNBAHQCFKICRT-YUELXQCFSA-N 1 3 314.389 2.100 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CC2)C1)N1CCCC1 ZINC000995057457 648830313 /nfs/dbraw/zinc/83/03/13/648830313.db2.gz VIHFFAVPHHVTET-HZPDHXFCSA-N 1 3 307.482 2.145 20 0 DEADHO CCc1ccc2nccc(NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)c2c1 ZINC000827496398 649043272 /nfs/dbraw/zinc/04/32/72/649043272.db2.gz JDIDHSRGFLFANC-HZPDHXFCSA-N 1 3 311.429 2.494 20 0 DEADHO CCc1ccc2nccc(NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)c2c1 ZINC000827496398 649043278 /nfs/dbraw/zinc/04/32/78/649043278.db2.gz JDIDHSRGFLFANC-HZPDHXFCSA-N 1 3 311.429 2.494 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)C[C@H]([NH3+])C2CC2)N2CCCC2)cc1 ZINC000827920405 649105554 /nfs/dbraw/zinc/10/55/54/649105554.db2.gz YQWSXVIMXYNLOP-ZWKOTPCHSA-N 1 3 315.461 2.376 20 0 DEADHO CC[C@@H]1CN(C(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)CC[C@H]1[NH3+] ZINC000834647395 649825841 /nfs/dbraw/zinc/82/58/41/649825841.db2.gz OEXDIPCHUNREIB-MRVWCRGKSA-N 1 3 324.856 2.019 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CC[C@@H](C)C3)CC2)CC1 ZINC000847845355 651422843 /nfs/dbraw/zinc/42/28/43/651422843.db2.gz OBAGDKZHWCJVAO-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](SC)C(C)(C)C ZINC000849018099 651583800 /nfs/dbraw/zinc/58/38/00/651583800.db2.gz UZIYLYJTDNEGBJ-OLZOCXBDSA-N 1 3 300.516 2.362 20 0 DEADHO CN(C)C(=O)C1(C[NH2+][C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CCCC1 ZINC000925488619 651616322 /nfs/dbraw/zinc/61/63/22/651616322.db2.gz USWDOVASGVKVMQ-ILXRZTDVSA-N 1 3 307.482 2.001 20 0 DEADHO CN(C)C(=O)C1(CN[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCCC1 ZINC000925488619 651616324 /nfs/dbraw/zinc/61/63/24/651616324.db2.gz USWDOVASGVKVMQ-ILXRZTDVSA-N 1 3 307.482 2.001 20 0 DEADHO CN1CCC[C@H]1CNC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857044046 652038539 /nfs/dbraw/zinc/03/85/39/652038539.db2.gz HIAIYQOBVZOCQW-MSOLQXFVSA-N 1 3 315.461 2.320 20 0 DEADHO CN1CCC[C@H]1CNC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857044046 652038541 /nfs/dbraw/zinc/03/85/41/652038541.db2.gz HIAIYQOBVZOCQW-MSOLQXFVSA-N 1 3 315.461 2.320 20 0 DEADHO CN1CC[C@@H]([NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC1(C)C ZINC000858135659 652262686 /nfs/dbraw/zinc/26/26/86/652262686.db2.gz BMAWLWFBCSIUQF-IAGOWNOFSA-N 1 3 309.498 2.092 20 0 DEADHO CC(C)(C)N1CC[C@H]1CNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000851998899 652307322 /nfs/dbraw/zinc/30/73/22/652307322.db2.gz XUYOXCCAJMXZBM-HNNXBMFYSA-N 1 3 324.513 2.421 20 0 DEADHO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)c1cccc2c1CNC2 ZINC000852797603 652458560 /nfs/dbraw/zinc/45/85/60/652458560.db2.gz XSRPMIQUXGZPFU-UHFFFAOYSA-N 1 3 307.397 2.342 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]CC23CC(C2)CN3)C1 ZINC000853246677 652528978 /nfs/dbraw/zinc/52/89/78/652528978.db2.gz PLBCDMGQLNJKEH-ICRTXTNUSA-N 1 3 316.392 2.085 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000853246677 652528981 /nfs/dbraw/zinc/52/89/81/652528981.db2.gz PLBCDMGQLNJKEH-ICRTXTNUSA-N 1 3 316.392 2.085 20 0 DEADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000854230391 652662371 /nfs/dbraw/zinc/66/23/71/652662371.db2.gz OHTNNJRLBVYYJI-UHOSZYNNSA-N 1 3 319.493 2.239 20 0 DEADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCCNC2=O)cc1 ZINC000854230724 652662403 /nfs/dbraw/zinc/66/24/03/652662403.db2.gz CVVXKCDMMWPTEC-SJORKVTESA-N 1 3 316.449 2.356 20 0 DEADHO CC(C)[C@H]([NH3+])CCN[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000854230389 652662809 /nfs/dbraw/zinc/66/28/09/652662809.db2.gz OHTNNJRLBVYYJI-QRQLOZEOSA-N 1 3 319.493 2.239 20 0 DEADHO CCC[NH+](CCC)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001391134092 1156154086 /nfs/dbraw/zinc/15/40/86/1156154086.db2.gz QLELSAGXFCOINJ-KRWDZBQOSA-N 1 3 315.477 2.437 20 0 DEADHO C[C@@H]1[C@H](NC(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)CCN1C ZINC000928429695 693777755 /nfs/dbraw/zinc/77/77/55/693777755.db2.gz CZILVCNRUNEHGE-ZTFGCOKTSA-N 1 3 315.461 2.318 20 0 DEADHO C[C@@H]1[C@H](NC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)CCN1C ZINC000928429695 693777757 /nfs/dbraw/zinc/77/77/57/693777757.db2.gz CZILVCNRUNEHGE-ZTFGCOKTSA-N 1 3 315.461 2.318 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)CCCCC[NH3+])CN1Cc1ccccc1 ZINC000155795531 684280363 /nfs/dbraw/zinc/28/03/63/684280363.db2.gz UYYZFQHCRTXEST-NVXWUHKLSA-N 1 3 303.450 2.285 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](CC3CCC3)C2)C1)N(C)C ZINC001054154193 693865296 /nfs/dbraw/zinc/86/52/96/693865296.db2.gz RGBYYBXFWNBHJS-MJGOQNOKSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1)N(C)C ZINC001054154193 693865297 /nfs/dbraw/zinc/86/52/97/693865297.db2.gz RGBYYBXFWNBHJS-MJGOQNOKSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](CC(C)C)C2)C1)N(C)C ZINC001054199415 693880540 /nfs/dbraw/zinc/88/05/40/693880540.db2.gz WIEMDEGPUHVERG-FUHWJXTLSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@]2(CC[N@@H+](CC(C)C)C2)C1)N(C)C ZINC001054199415 693880544 /nfs/dbraw/zinc/88/05/44/693880544.db2.gz WIEMDEGPUHVERG-FUHWJXTLSA-N 1 3 309.498 2.297 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N(C)C[C@H](C)[NH3+])c1ccsc1 ZINC000861554304 686144214 /nfs/dbraw/zinc/14/42/14/686144214.db2.gz NZGGQOLKPRLART-JSGCOSHPSA-N 1 3 312.483 2.120 20 0 DEADHO Cc1nnc(CC[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)o1 ZINC000929755690 694020161 /nfs/dbraw/zinc/02/01/61/694020161.db2.gz WSAHGRYJJHNYFJ-QGZVFWFLSA-N 1 3 314.433 2.374 20 0 DEADHO Cc1nnc(CC[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)o1 ZINC000929755690 694020163 /nfs/dbraw/zinc/02/01/63/694020163.db2.gz WSAHGRYJJHNYFJ-QGZVFWFLSA-N 1 3 314.433 2.374 20 0 DEADHO CN1CC[NH+](C2CCN(c3ccnc4ccccc43)CC2)CC1 ZINC000866214123 687495792 /nfs/dbraw/zinc/49/57/92/687495792.db2.gz JOGRTXKMFVTQPK-UHFFFAOYSA-N 1 3 310.445 2.451 20 0 DEADHO CC[C@@H](C(=O)N(C)c1ccc(C)cc1)N1CCC(C[NH3+])CC1 ZINC000866661838 687643922 /nfs/dbraw/zinc/64/39/22/687643922.db2.gz LVGRVQMDSZWHBP-KRWDZBQOSA-N 1 3 303.450 2.407 20 0 DEADHO COc1cnccc1N1CC[NH+](C[C@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000930294941 694129900 /nfs/dbraw/zinc/12/99/00/694129900.db2.gz ASJSOZQKCUDTFJ-ZSHCYNCHSA-N 1 3 319.449 2.416 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC(C)C)CC2 ZINC001016650717 687674499 /nfs/dbraw/zinc/67/44/99/687674499.db2.gz AWZPRFANHSQHAV-DLBZAZTESA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001016828097 687712022 /nfs/dbraw/zinc/71/20/22/687712022.db2.gz CKWZTQGFDBCDGC-IRXDYDNUSA-N 1 3 321.509 2.488 20 0 DEADHO C[N@H+](CC1CCCC1)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001017222341 687830689 /nfs/dbraw/zinc/83/06/89/687830689.db2.gz QXEMNQAHLOWTEQ-INIZCTEOSA-N 1 3 318.465 2.313 20 0 DEADHO C[N@@H+](CC1CCCC1)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001017222341 687830691 /nfs/dbraw/zinc/83/06/91/687830691.db2.gz QXEMNQAHLOWTEQ-INIZCTEOSA-N 1 3 318.465 2.313 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001017267655 687850072 /nfs/dbraw/zinc/85/00/72/687850072.db2.gz RROKBETXONPUPY-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC001017267655 687850078 /nfs/dbraw/zinc/85/00/78/687850078.db2.gz RROKBETXONPUPY-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001017550281 687909752 /nfs/dbraw/zinc/90/97/52/687909752.db2.gz WMROZAWKBURGDQ-XDNAFOTISA-N 1 3 319.493 2.336 20 0 DEADHO CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001017550281 687909755 /nfs/dbraw/zinc/90/97/55/687909755.db2.gz WMROZAWKBURGDQ-XDNAFOTISA-N 1 3 319.493 2.336 20 0 DEADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001017556218 687912180 /nfs/dbraw/zinc/91/21/80/687912180.db2.gz CRKNGATYUXFTII-KSZLIROESA-N 1 3 319.493 2.050 20 0 DEADHO CC1CC(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001017617255 687925598 /nfs/dbraw/zinc/92/55/98/687925598.db2.gz KPIHXXMZZJXBGF-OFLIJSTPSA-N 1 3 319.493 2.048 20 0 DEADHO CC1CC(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001017617255 687925601 /nfs/dbraw/zinc/92/56/01/687925601.db2.gz KPIHXXMZZJXBGF-OFLIJSTPSA-N 1 3 319.493 2.048 20 0 DEADHO CC1CC(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001017617254 687925676 /nfs/dbraw/zinc/92/56/76/687925676.db2.gz KPIHXXMZZJXBGF-AAUYCNFHSA-N 1 3 319.493 2.048 20 0 DEADHO CC1CC(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001017617254 687925677 /nfs/dbraw/zinc/92/56/77/687925677.db2.gz KPIHXXMZZJXBGF-AAUYCNFHSA-N 1 3 319.493 2.048 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2)C1)N(C)C ZINC001019033653 688274422 /nfs/dbraw/zinc/27/44/22/688274422.db2.gz YGYPCARPTDJUDW-HYVNUMGLSA-N 1 3 303.450 2.278 20 0 DEADHO C[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)c1cccc(F)c1 ZINC001019241555 688305042 /nfs/dbraw/zinc/30/50/42/688305042.db2.gz JFTKOEKGXSKXFK-RRQGHBQHSA-N 1 3 319.424 2.171 20 0 DEADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)cs1 ZINC001019383146 688342991 /nfs/dbraw/zinc/34/29/91/688342991.db2.gz XGPIZBXDFSDCBP-BBRMVZONSA-N 1 3 321.490 2.089 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001029595163 688559490 /nfs/dbraw/zinc/55/94/90/688559490.db2.gz CHNZXNXRGKNNKR-AHCXZYCDSA-N 1 3 319.493 2.335 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001029595163 688559491 /nfs/dbraw/zinc/55/94/91/688559491.db2.gz CHNZXNXRGKNNKR-AHCXZYCDSA-N 1 3 319.493 2.335 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)N(C)C)cc1 ZINC000870853876 688667722 /nfs/dbraw/zinc/66/77/22/688667722.db2.gz GETDVZIXAKKUMT-NTDBWNAOSA-N 1 3 315.461 2.095 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000870872889 688673720 /nfs/dbraw/zinc/67/37/20/688673720.db2.gz OZVASKDIBLIWBQ-LEUOFYLZSA-N 1 3 315.461 2.456 20 0 DEADHO CN(C)CCN(Cc1ccccc1F)C(=O)CC[NH2+]CC1CC1 ZINC000870908829 688684262 /nfs/dbraw/zinc/68/42/62/688684262.db2.gz ZZINNZVPVBRFJE-UHFFFAOYSA-N 1 3 321.440 2.106 20 0 DEADHO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)c2cc3c(s2)CCNC3)C1 ZINC000870989679 688705548 /nfs/dbraw/zinc/70/55/48/688705548.db2.gz MLNNYOAFBCEPTE-QGZVFWFLSA-N 1 3 321.490 2.231 20 0 DEADHO O=C(NC1C[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1)c1ccn2cncc2c1 ZINC001030618891 688725857 /nfs/dbraw/zinc/72/58/57/688725857.db2.gz XPMIQXDUNAJAAM-FMKPAKJESA-N 1 3 324.428 2.185 20 0 DEADHO CC[C@](O)(CN1CCCN(c2cc[nH+]cc2)CC1)C(F)(F)F ZINC000930804781 694246224 /nfs/dbraw/zinc/24/62/24/694246224.db2.gz AKRUVELPEVTATH-AWEZNQCLSA-N 1 3 317.355 2.297 20 0 DEADHO C[C@@H](C(=O)NCc1ccccc1F)N(C)CCCCCC[NH3+] ZINC000872155429 688940565 /nfs/dbraw/zinc/94/05/65/688940565.db2.gz RMAHGNVBCZPGLS-AWEZNQCLSA-N 1 3 309.429 2.281 20 0 DEADHO CC(C)OC[C@@H](O)C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000872205476 688952236 /nfs/dbraw/zinc/95/22/36/688952236.db2.gz IAUHGNLFVNYKAL-UHOSZYNNSA-N 1 3 320.477 2.273 20 0 DEADHO CC(C)(O)C[C@@H](O)CNC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000872208244 688952664 /nfs/dbraw/zinc/95/26/64/688952664.db2.gz SLFPIOXMUWNIRU-IEBWSBKVSA-N 1 3 320.477 2.010 20 0 DEADHO CC(C)(O)C[C@@H](O)CNC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000872208244 688952666 /nfs/dbraw/zinc/95/26/66/688952666.db2.gz SLFPIOXMUWNIRU-IEBWSBKVSA-N 1 3 320.477 2.010 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCC1C[NH+](CCC2CCCC2)C1 ZINC001031714413 688984767 /nfs/dbraw/zinc/98/47/67/688984767.db2.gz IAIBHZIZEKMKLM-SFHVURJKSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCC1C[NH+](CCC(C)(C)C)C1 ZINC001031715377 688984930 /nfs/dbraw/zinc/98/49/30/688984930.db2.gz SQDWDVQJHXKOBK-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO COC(=O)C1CCN(CCCNc2cc[nH+]cc2C2CC2)CC1 ZINC000872414464 688995361 /nfs/dbraw/zinc/99/53/61/688995361.db2.gz SOMZRDJFIPZEIR-UHFFFAOYSA-N 1 3 317.433 2.068 20 0 DEADHO C[C@H](c1ccccc1)N1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001031948482 689027645 /nfs/dbraw/zinc/02/76/45/689027645.db2.gz CMSDDDCPIRGJEH-OAHLLOKOSA-N 1 3 315.461 2.137 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCCC1 ZINC001032433978 689150625 /nfs/dbraw/zinc/15/06/25/689150625.db2.gz WSIHKBITOFRWIT-OKZBNKHCSA-N 1 3 319.493 2.336 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCCC1 ZINC001032433978 689150627 /nfs/dbraw/zinc/15/06/27/689150627.db2.gz WSIHKBITOFRWIT-OKZBNKHCSA-N 1 3 319.493 2.336 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCC1 ZINC001032433978 689150629 /nfs/dbraw/zinc/15/06/29/689150629.db2.gz WSIHKBITOFRWIT-OKZBNKHCSA-N 1 3 319.493 2.336 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCC1 ZINC001032433978 689150630 /nfs/dbraw/zinc/15/06/30/689150630.db2.gz WSIHKBITOFRWIT-OKZBNKHCSA-N 1 3 319.493 2.336 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H]2C[C@H]1CN2CCC1CC1 ZINC001032445482 689154104 /nfs/dbraw/zinc/15/41/04/689154104.db2.gz HWDKWDOBSGGLTL-SQNIBIBYSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H]2C[C@H]1CN2CCC1CC1 ZINC001032445482 689154105 /nfs/dbraw/zinc/15/41/05/689154105.db2.gz HWDKWDOBSGGLTL-SQNIBIBYSA-N 1 3 319.493 2.335 20 0 DEADHO CCOCCO[C@H]1CCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873206994 689184005 /nfs/dbraw/zinc/18/40/05/689184005.db2.gz OTTJETYMUWCDKD-AWEZNQCLSA-N 1 3 310.463 2.021 20 0 DEADHO O=C1CC[N@H+](Cc2cc3c(s2)CCNC3)CCCCCCN1 ZINC000873217658 689185875 /nfs/dbraw/zinc/18/58/75/689185875.db2.gz NVGRBQVEJZJJGV-UHFFFAOYSA-N 1 3 321.490 2.276 20 0 DEADHO O=C1CC[N@@H+](Cc2cc3c(s2)CCNC3)CCCCCCN1 ZINC000873217658 689185877 /nfs/dbraw/zinc/18/58/77/689185877.db2.gz NVGRBQVEJZJJGV-UHFFFAOYSA-N 1 3 321.490 2.276 20 0 DEADHO CC(C)C[C@H](C)C[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873217898 689186109 /nfs/dbraw/zinc/18/61/09/689186109.db2.gz UHWYDWAWBKPTLO-AWEZNQCLSA-N 1 3 301.438 2.498 20 0 DEADHO COCCC1([NH2+]CCCc2ccc3c(c2)CCO3)CCNCC1 ZINC000873224674 689188016 /nfs/dbraw/zinc/18/80/16/689188016.db2.gz FOKVXICVZWEDRJ-UHFFFAOYSA-N 1 3 318.461 2.302 20 0 DEADHO CC1(C)CC[C@H](C[NH2+]C2CCN(Cc3ccncc3)CC2)NC1 ZINC000873235015 689190665 /nfs/dbraw/zinc/19/06/65/689190665.db2.gz JWDDDJUPVVNHPW-GOSISDBHSA-N 1 3 316.493 2.414 20 0 DEADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001032664366 689217862 /nfs/dbraw/zinc/21/78/62/689217862.db2.gz YZPKYYXXPLAJHL-ULQDDVLXSA-N 1 3 307.482 2.190 20 0 DEADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001032664366 689217865 /nfs/dbraw/zinc/21/78/65/689217865.db2.gz YZPKYYXXPLAJHL-ULQDDVLXSA-N 1 3 307.482 2.190 20 0 DEADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCC2)C1 ZINC001032731468 689240489 /nfs/dbraw/zinc/24/04/89/689240489.db2.gz KHJMIFZPPLMHQG-BZSNNMDCSA-N 1 3 319.493 2.194 20 0 DEADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCC2)C1 ZINC001032731468 689240492 /nfs/dbraw/zinc/24/04/92/689240492.db2.gz KHJMIFZPPLMHQG-BZSNNMDCSA-N 1 3 319.493 2.194 20 0 DEADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000874833145 689507557 /nfs/dbraw/zinc/50/75/57/689507557.db2.gz JEVJZPQVOKHJBM-HZPDHXFCSA-N 1 3 307.482 2.194 20 0 DEADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000874834515 689508632 /nfs/dbraw/zinc/50/86/32/689508632.db2.gz SJCSZJJMDBXVHM-BBWFWOEESA-N 1 3 305.466 2.089 20 0 DEADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000874834515 689508635 /nfs/dbraw/zinc/50/86/35/689508635.db2.gz SJCSZJJMDBXVHM-BBWFWOEESA-N 1 3 305.466 2.089 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001033472434 689513255 /nfs/dbraw/zinc/51/32/55/689513255.db2.gz VPBHUKSLBHZFJU-IAGOWNOFSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001033472434 689513256 /nfs/dbraw/zinc/51/32/56/689513256.db2.gz VPBHUKSLBHZFJU-IAGOWNOFSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCCF)C1 ZINC001033472057 689513464 /nfs/dbraw/zinc/51/34/64/689513464.db2.gz RGUAXYYXOCOKTL-CVEARBPZSA-N 1 3 313.461 2.142 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCCF)C1 ZINC001033472057 689513467 /nfs/dbraw/zinc/51/34/67/689513467.db2.gz RGUAXYYXOCOKTL-CVEARBPZSA-N 1 3 313.461 2.142 20 0 DEADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001033591955 689553626 /nfs/dbraw/zinc/55/36/26/689553626.db2.gz WGRDQOAHCSTPLX-CQSZACIVSA-N 1 3 304.438 2.020 20 0 DEADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033591955 689553629 /nfs/dbraw/zinc/55/36/29/689553629.db2.gz WGRDQOAHCSTPLX-CQSZACIVSA-N 1 3 304.438 2.020 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CC2)C1 ZINC001034204311 689761465 /nfs/dbraw/zinc/76/14/65/689761465.db2.gz LSRLTGPAVSOAJX-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CC2)C1 ZINC001034204311 689761467 /nfs/dbraw/zinc/76/14/67/689761467.db2.gz LSRLTGPAVSOAJX-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CC2)C1 ZINC001034285320 689794887 /nfs/dbraw/zinc/79/48/87/689794887.db2.gz BSBBEULAYHZLCK-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CC2)C1 ZINC001034285320 689794891 /nfs/dbraw/zinc/79/48/91/689794891.db2.gz BSBBEULAYHZLCK-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC[N@@H+]1CCCC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034396448 689834194 /nfs/dbraw/zinc/83/41/94/689834194.db2.gz GIBUDERIUANPQW-WMLDXEAASA-N 1 3 313.461 2.190 20 0 DEADHO CC[N@H+]1CCCC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034396448 689834198 /nfs/dbraw/zinc/83/41/98/689834198.db2.gz GIBUDERIUANPQW-WMLDXEAASA-N 1 3 313.461 2.190 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2(C)C)N(C)C)cc1 ZINC000876731326 689919224 /nfs/dbraw/zinc/91/92/24/689919224.db2.gz IIOKOXPUHRLBAI-PMPSAXMXSA-N 1 3 303.450 2.087 20 0 DEADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000876730968 689919356 /nfs/dbraw/zinc/91/93/56/689919356.db2.gz CHUKRULYVLMICC-UVOQLLHRSA-N 1 3 315.461 2.126 20 0 DEADHO C[C@@H](CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2)N(C)Cc1ccccc1 ZINC000876763642 689929281 /nfs/dbraw/zinc/92/92/81/689929281.db2.gz LSBSVIGJHBYJLG-WDYCEAGBSA-N 1 3 315.461 2.155 20 0 DEADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000876765791 689930289 /nfs/dbraw/zinc/93/02/89/689930289.db2.gz XUDPNHRHGKGJGG-VUQDMLLMSA-N 1 3 315.461 2.035 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001034885613 689978771 /nfs/dbraw/zinc/97/87/71/689978771.db2.gz WPYDALLGHZOTKR-IAGOWNOFSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1)C1CC1 ZINC001034959663 689999069 /nfs/dbraw/zinc/99/90/69/689999069.db2.gz FRCVOOZWVNWMOB-MSOLQXFVSA-N 1 3 319.493 2.408 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)C[C@@H]([NH3+])C1CC1 ZINC000877030258 690002324 /nfs/dbraw/zinc/00/23/24/690002324.db2.gz DGJLHDXFWIHKMV-JFIYKMOQSA-N 1 3 313.445 2.257 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CC(C)C1)N(C)C ZINC001035039801 690018014 /nfs/dbraw/zinc/01/80/14/690018014.db2.gz LXTGMPQPUHZOBE-BHUNQDJPSA-N 1 3 309.498 2.199 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001035052338 690022009 /nfs/dbraw/zinc/02/20/09/690022009.db2.gz WNJBHCVMGGHOSY-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](N)C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000877201327 690044639 /nfs/dbraw/zinc/04/46/39/690044639.db2.gz FKQUIDLPYLNLBV-QGZVFWFLSA-N 1 3 303.450 2.142 20 0 DEADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877285340 690066171 /nfs/dbraw/zinc/06/61/71/690066171.db2.gz ZMZHLVAQPLYIEX-ZWKOTPCHSA-N 1 3 313.445 2.249 20 0 DEADHO CCC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@H](C)C1)CC2 ZINC001035227757 690067179 /nfs/dbraw/zinc/06/71/79/690067179.db2.gz XQZDNZHRRPZRFX-INIZCTEOSA-N 1 3 307.482 2.053 20 0 DEADHO CCC[N@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@H](C)C1)CC2 ZINC001035227757 690067184 /nfs/dbraw/zinc/06/71/84/690067184.db2.gz XQZDNZHRRPZRFX-INIZCTEOSA-N 1 3 307.482 2.053 20 0 DEADHO CCC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)CC1)CC2 ZINC001035239334 690070882 /nfs/dbraw/zinc/07/08/82/690070882.db2.gz PRGSCYOXCTUEED-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CCC[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)CC1)CC2 ZINC001035239334 690070884 /nfs/dbraw/zinc/07/08/84/690070884.db2.gz PRGSCYOXCTUEED-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001035668551 690147321 /nfs/dbraw/zinc/14/73/21/690147321.db2.gz IABCSULJBKCTEO-CVEARBPZSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)C[NH+]1CC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001035721804 690160730 /nfs/dbraw/zinc/16/07/30/690160730.db2.gz ZSYCXPNEMXGXRZ-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)=CC[NH+]1CC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001035721848 690160877 /nfs/dbraw/zinc/16/08/77/690160877.db2.gz FQPZYIQVPPNROL-UHFFFAOYSA-N 1 3 319.493 2.361 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC3(C[NH+](CC4CCC4)C3)CC2)C1 ZINC001035797256 690178853 /nfs/dbraw/zinc/17/88/53/690178853.db2.gz GVJAIOZEPMMUPZ-INIZCTEOSA-N 1 3 319.493 2.053 20 0 DEADHO CC[C@@H](C(=O)N1CCC2(C[NH+](CC=C(C)C)C2)CC1)N(C)C ZINC001035797376 690178948 /nfs/dbraw/zinc/17/89/48/690178948.db2.gz ZVJDLJTZWFDXRL-INIZCTEOSA-N 1 3 307.482 2.217 20 0 DEADHO CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@H](CC)N(C)C)CC2 ZINC001035796778 690179124 /nfs/dbraw/zinc/17/91/24/690179124.db2.gz NCXNWJJLCGGKLP-HOTGVXAUSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[NH+]1CC2(C1)CCN(C(=O)CN1CCC(C)(C)C1)CC2 ZINC001035799201 690179659 /nfs/dbraw/zinc/17/96/59/690179659.db2.gz WAVRRVBDFBIGSW-UHFFFAOYSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CCC1CC1 ZINC001036055529 690248059 /nfs/dbraw/zinc/24/80/59/690248059.db2.gz PVTSLANTYQGUPH-ZBFHGGJFSA-N 1 3 307.482 2.097 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C[C@H]2CCC3(CCOCC3)O2)[C@H](C)C1 ZINC000878256374 690360113 /nfs/dbraw/zinc/36/01/13/690360113.db2.gz CJHODIRVXSSPHO-ZACQAIPSSA-N 1 3 310.482 2.377 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C[C@H]2CCC3(CCOCC3)O2)[C@H](C)C1 ZINC000878256374 690360117 /nfs/dbraw/zinc/36/01/17/690360117.db2.gz CJHODIRVXSSPHO-ZACQAIPSSA-N 1 3 310.482 2.377 20 0 DEADHO C[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)[C@H]1C[NH2+]CC1CC1 ZINC001036577933 690389579 /nfs/dbraw/zinc/38/95/79/690389579.db2.gz PFPOHHPSPQSCFS-RDJZCZTQSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@H]1C[NH2+]CC1CCCC1 ZINC001036580198 690390870 /nfs/dbraw/zinc/39/08/70/690390870.db2.gz YHRLFPDWYLMCOR-YOEHRIQHSA-N 1 3 318.465 2.359 20 0 DEADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)co1 ZINC000878589571 690448408 /nfs/dbraw/zinc/44/84/08/690448408.db2.gz PPDNQGZVBUBYBK-HNNXBMFYSA-N 1 3 307.438 2.076 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)CC[C@@H]21 ZINC001036736807 690453538 /nfs/dbraw/zinc/45/35/38/690453538.db2.gz GYWFUUFWJOLQGE-AEFFLSMTSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)CC[C@@H]21 ZINC001036736807 690453541 /nfs/dbraw/zinc/45/35/41/690453541.db2.gz GYWFUUFWJOLQGE-AEFFLSMTSA-N 1 3 321.509 2.440 20 0 DEADHO CCCC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)C3CCC3)CC[C@@H]21 ZINC001036738017 690454016 /nfs/dbraw/zinc/45/40/16/690454016.db2.gz ZPKIAVALSUTOPE-RDJZCZTQSA-N 1 3 307.482 2.194 20 0 DEADHO CCCC[N@H+]1CC[C@H]2CN(C(=O)CN(C)C3CCC3)CC[C@@H]21 ZINC001036738017 690454018 /nfs/dbraw/zinc/45/40/18/690454018.db2.gz ZPKIAVALSUTOPE-RDJZCZTQSA-N 1 3 307.482 2.194 20 0 DEADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@H]1CCC3(CCOCC3)CO1)C2 ZINC000878662112 690469678 /nfs/dbraw/zinc/46/96/78/690469678.db2.gz MLDXUNIJYLLTCQ-IEBWSBKVSA-N 1 3 322.493 2.380 20 0 DEADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@H]1CCC3(CCOCC3)CO1)C2 ZINC000878662112 690469680 /nfs/dbraw/zinc/46/96/80/690469680.db2.gz MLDXUNIJYLLTCQ-IEBWSBKVSA-N 1 3 322.493 2.380 20 0 DEADHO O[C@@H](CN1CCCN(c2cc[nH+]cc2)CC1)c1ccccc1F ZINC000878743354 690490281 /nfs/dbraw/zinc/49/02/81/690490281.db2.gz DUEBUINVRJKQFQ-SFHVURJKSA-N 1 3 315.392 2.466 20 0 DEADHO CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@@H]21 ZINC001036902399 690521863 /nfs/dbraw/zinc/52/18/63/690521863.db2.gz KDHPAXREFQNUHZ-MSOLQXFVSA-N 1 3 315.461 2.305 20 0 DEADHO CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@@H]21 ZINC001036902399 690521864 /nfs/dbraw/zinc/52/18/64/690521864.db2.gz KDHPAXREFQNUHZ-MSOLQXFVSA-N 1 3 315.461 2.305 20 0 DEADHO CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CC1CCC1 ZINC001037853647 690624420 /nfs/dbraw/zinc/62/44/20/690624420.db2.gz OBAGWNTVSJARDO-IAGOWNOFSA-N 1 3 321.509 2.488 20 0 DEADHO CN1CCN(C2CC[NH+](CC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000879594381 690683307 /nfs/dbraw/zinc/68/33/07/690683307.db2.gz HEKTXMDMUPUXLY-CYBMUJFWSA-N 1 3 320.308 2.282 20 0 DEADHO CC(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001038346133 690789684 /nfs/dbraw/zinc/78/96/84/690789684.db2.gz OXCDLNNLQUWFBZ-IAGOWNOFSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001038346133 690789686 /nfs/dbraw/zinc/78/96/86/690789686.db2.gz OXCDLNNLQUWFBZ-IAGOWNOFSA-N 1 3 309.498 2.201 20 0 DEADHO O=C(NC[C@H]1CCN1CC1CCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001038353401 690792426 /nfs/dbraw/zinc/79/24/26/690792426.db2.gz NBKMEBRTCCHAPZ-MSOLQXFVSA-N 1 3 319.493 2.384 20 0 DEADHO O=C(NC[C@H]1CCN1CC1CCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001038353401 690792429 /nfs/dbraw/zinc/79/24/29/690792429.db2.gz NBKMEBRTCCHAPZ-MSOLQXFVSA-N 1 3 319.493 2.384 20 0 DEADHO C[C@H]1CN(C[C@H](O)Cc2ccccc2)CCN1c1cc[nH+]cc1 ZINC000880260053 690854319 /nfs/dbraw/zinc/85/43/19/690854319.db2.gz MUJXDXMKUZSZNI-QFBILLFUSA-N 1 3 311.429 2.196 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC1CC1 ZINC001038783479 690925198 /nfs/dbraw/zinc/92/51/98/690925198.db2.gz XUFNKCVMVOZBIW-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC1CC1 ZINC001038783479 690925201 /nfs/dbraw/zinc/92/52/01/690925201.db2.gz XUFNKCVMVOZBIW-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001039163638 691036930 /nfs/dbraw/zinc/03/69/30/691036930.db2.gz FBPGHOYJFZMSPY-DOTOQJQBSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001039163638 691036931 /nfs/dbraw/zinc/03/69/31/691036931.db2.gz FBPGHOYJFZMSPY-DOTOQJQBSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC1 ZINC001040014949 691175682 /nfs/dbraw/zinc/17/56/82/691175682.db2.gz UYFGMKVSNOBBEN-LVYXFOGZSA-N 1 3 319.493 2.335 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC1 ZINC001040014949 691175684 /nfs/dbraw/zinc/17/56/84/691175684.db2.gz UYFGMKVSNOBBEN-LVYXFOGZSA-N 1 3 319.493 2.335 20 0 DEADHO CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001040241861 691218941 /nfs/dbraw/zinc/21/89/41/691218941.db2.gz UMQJOCQPFMQIKT-FUHWJXTLSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001040241861 691218945 /nfs/dbraw/zinc/21/89/45/691218945.db2.gz UMQJOCQPFMQIKT-FUHWJXTLSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001040241529 691219295 /nfs/dbraw/zinc/21/92/95/691219295.db2.gz OVOAEUNYXQDPEV-AEFFLSMTSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001040241529 691219298 /nfs/dbraw/zinc/21/92/98/691219298.db2.gz OVOAEUNYXQDPEV-AEFFLSMTSA-N 1 3 307.482 2.050 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000882502521 691299518 /nfs/dbraw/zinc/29/95/18/691299518.db2.gz KVOKSGQSGZSTKT-UHFFFAOYSA-N 1 3 315.461 2.449 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001041666985 691408022 /nfs/dbraw/zinc/40/80/22/691408022.db2.gz BCHPUZCLCKLNHY-LJQANCHMSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)C[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001041666985 691408025 /nfs/dbraw/zinc/40/80/25/691408025.db2.gz BCHPUZCLCKLNHY-LJQANCHMSA-N 1 3 321.509 2.299 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001041846021 691444374 /nfs/dbraw/zinc/44/43/74/691444374.db2.gz VDIIOECIVIZEAE-FUHWJXTLSA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](C(C)C)C2)C1 ZINC001041846021 691444377 /nfs/dbraw/zinc/44/43/77/691444377.db2.gz VDIIOECIVIZEAE-FUHWJXTLSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@@H]21 ZINC001042368972 691583826 /nfs/dbraw/zinc/58/38/26/691583826.db2.gz UEGWGLHSANOAQP-YJBOKZPZSA-N 1 3 315.461 2.305 20 0 DEADHO CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@@H]21 ZINC001042368972 691583829 /nfs/dbraw/zinc/58/38/29/691583829.db2.gz UEGWGLHSANOAQP-YJBOKZPZSA-N 1 3 315.461 2.305 20 0 DEADHO COCC[C@@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000884186363 691676699 /nfs/dbraw/zinc/67/66/99/691676699.db2.gz YANIPFXNQIKDLL-RHSMWYFYSA-N 1 3 319.449 2.221 20 0 DEADHO COCC[C@@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000884186363 691676701 /nfs/dbraw/zinc/67/67/01/691676701.db2.gz YANIPFXNQIKDLL-RHSMWYFYSA-N 1 3 319.449 2.221 20 0 DEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H](N)CC2CC2)CC1 ZINC000884185724 691676815 /nfs/dbraw/zinc/67/68/15/691676815.db2.gz FMKYMHVIDNCDLP-GOSISDBHSA-N 1 3 315.461 2.203 20 0 DEADHO C[NH2+][C@@H](CC(C)C)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000884195967 691679202 /nfs/dbraw/zinc/67/92/02/691679202.db2.gz DYSTVCLRZQSPRT-IRXDYDNUSA-N 1 3 305.466 2.348 20 0 DEADHO C[NH2+][C@@H](CC(C)C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000884314840 691708171 /nfs/dbraw/zinc/70/81/71/691708171.db2.gz XTFPZAYVFMQKJC-NJAFHUGGSA-N 1 3 317.477 2.257 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884358364 691718340 /nfs/dbraw/zinc/71/83/40/691718340.db2.gz PQRKASRPEGXAJA-HUUCEWRRSA-N 1 3 315.417 2.350 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CCC2CC2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001044741397 691880667 /nfs/dbraw/zinc/88/06/67/691880667.db2.gz ACYFRUUBOGXEKZ-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CCC3CC3)C[C@@H]2C)CC1 ZINC001044793361 691888122 /nfs/dbraw/zinc/88/81/22/691888122.db2.gz OXKOGYOKTZMELU-FUHWJXTLSA-N 1 3 321.509 2.488 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CCC3CC3)C[C@H]2C)CC1 ZINC001044793360 691888366 /nfs/dbraw/zinc/88/83/66/691888366.db2.gz OXKOGYOKTZMELU-AEFFLSMTSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CC2CCCC2)CCN1C(=O)CN1CCCC1 ZINC001044857597 691898168 /nfs/dbraw/zinc/89/81/68/691898168.db2.gz LPEKLUSVIXXYAS-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001044958485 691919837 /nfs/dbraw/zinc/91/98/37/691919837.db2.gz NTGYAVXTDNFNKY-ZWKOTPCHSA-N 1 3 315.461 2.170 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2C[NH2+]CC2CC(C)(C)C2)C1 ZINC001045200122 691951202 /nfs/dbraw/zinc/95/12/02/691951202.db2.gz MQGQTDLDVVHQLT-RDJZCZTQSA-N 1 3 321.509 2.345 20 0 DEADHO CC1(C)CCN(CC(=O)N2CCC[C@H]2C[NH2+]CC2CCC2)C1 ZINC001045202768 691951374 /nfs/dbraw/zinc/95/13/74/691951374.db2.gz WIIJOGKSIXACGS-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H](C[NH2+][C@H]1CCOC2(CCOCC2)C1)CN1CCCCC1 ZINC000885927800 691964448 /nfs/dbraw/zinc/96/44/48/691964448.db2.gz YHFSRMVDRRZQLO-SJORKVTESA-N 1 3 310.482 2.426 20 0 DEADHO CN1CCN(c2cc(C[NH2+][C@@H]3CCc4cccnc43)ccn2)CC1 ZINC000886505110 692095493 /nfs/dbraw/zinc/09/54/93/692095493.db2.gz LYHKGNXMGFCRHO-QGZVFWFLSA-N 1 3 323.444 2.006 20 0 DEADHO COC(=O)c1cncc([C@H](C)[NH2+]C2CCN(C(C)C)CC2)c1 ZINC000886543543 692105267 /nfs/dbraw/zinc/10/52/67/692105267.db2.gz QIRMEBWLJUFZRC-ZDUSSCGKSA-N 1 3 305.422 2.392 20 0 DEADHO C[N@@H+]1CC[C@@](O)(CN[C@@H]2CCCc3c4cc(F)ccc4[nH]c32)C1 ZINC000886589860 692121048 /nfs/dbraw/zinc/12/10/48/692121048.db2.gz HYCHHPZAFUBSRN-SJLPKXTDSA-N 1 3 317.408 2.341 20 0 DEADHO C[N@H+]1CC[C@@](O)(CN[C@@H]2CCCc3c4cc(F)ccc4[nH]c32)C1 ZINC000886589860 692121050 /nfs/dbraw/zinc/12/10/50/692121050.db2.gz HYCHHPZAFUBSRN-SJLPKXTDSA-N 1 3 317.408 2.341 20 0 DEADHO C[N@@H+]1CC[C@](O)(CN[C@H]2CCCc3c4cc(F)ccc4[nH]c32)C1 ZINC000886589861 692121395 /nfs/dbraw/zinc/12/13/95/692121395.db2.gz HYCHHPZAFUBSRN-WMZOPIPTSA-N 1 3 317.408 2.341 20 0 DEADHO C[N@H+]1CC[C@](O)(CN[C@H]2CCCc3c4cc(F)ccc4[nH]c32)C1 ZINC000886589861 692121397 /nfs/dbraw/zinc/12/13/97/692121397.db2.gz HYCHHPZAFUBSRN-WMZOPIPTSA-N 1 3 317.408 2.341 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001046316744 692150106 /nfs/dbraw/zinc/15/01/06/692150106.db2.gz QOVAVOANWVNWPT-FUHWJXTLSA-N 1 3 307.482 2.406 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001046316744 692150109 /nfs/dbraw/zinc/15/01/09/692150109.db2.gz QOVAVOANWVNWPT-FUHWJXTLSA-N 1 3 307.482 2.406 20 0 DEADHO C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](CNC1CC[NH+](CC3CC3)CC1)O2 ZINC000886771209 692188427 /nfs/dbraw/zinc/18/84/27/692188427.db2.gz DRXDDRKYVSYIPD-LVFSCSRESA-N 1 3 322.493 2.423 20 0 DEADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C[C@@H](O)Cc1ccccc1 ZINC000887135067 692288066 /nfs/dbraw/zinc/28/80/66/692288066.db2.gz VRVCCENRDAOPIA-LPHOPBHVSA-N 1 3 311.429 2.196 20 0 DEADHO CC(C)CNC(=O)CCCN1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134644 692288325 /nfs/dbraw/zinc/28/83/25/692288325.db2.gz NAVZLMHAQLCNDQ-MRXNPFEDSA-N 1 3 318.465 2.145 20 0 DEADHO C[C@H]([NH2+]Cc1ccsc1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047986810 692528442 /nfs/dbraw/zinc/52/84/42/692528442.db2.gz FSSCGGRUUCSQGS-GXTWGEPZSA-N 1 3 318.446 2.041 20 0 DEADHO C[C@@H]([NH2+]Cc1ccsc1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048066510 692541905 /nfs/dbraw/zinc/54/19/05/692541905.db2.gz ONCHAXBAPSRATL-GDBMZVCRSA-N 1 3 321.490 2.171 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@@H]2C1)N(C)C ZINC001049067234 692755246 /nfs/dbraw/zinc/75/52/46/692755246.db2.gz SRCZWMJHXZRYSM-BBWFWOEESA-N 1 3 321.509 2.153 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC3CC(C)(C)C3)C[C@@H]2C1)N(C)C ZINC001049067234 692755249 /nfs/dbraw/zinc/75/52/49/692755249.db2.gz SRCZWMJHXZRYSM-BBWFWOEESA-N 1 3 321.509 2.153 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C1CC1)N1CCCC1 ZINC001049610952 692940404 /nfs/dbraw/zinc/94/04/04/692940404.db2.gz CBCXHELAMZXSQR-KURKYZTESA-N 1 3 319.493 2.336 20 0 DEADHO CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C1CC1)N1CCCC1 ZINC001049610952 692940406 /nfs/dbraw/zinc/94/04/06/692940406.db2.gz CBCXHELAMZXSQR-KURKYZTESA-N 1 3 319.493 2.336 20 0 DEADHO CCN1CCN(CCC[NH2+]CCc2ccc(C)c(C)c2)CC1 ZINC000893328055 692966876 /nfs/dbraw/zinc/96/68/76/692966876.db2.gz SKKUUJGPYYYVKD-UHFFFAOYSA-N 1 3 303.494 2.463 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001049708268 692971203 /nfs/dbraw/zinc/97/12/03/692971203.db2.gz FOSDHTHXDHNDLX-GVDBMIGSSA-N 1 3 309.498 2.438 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001049708268 692971206 /nfs/dbraw/zinc/97/12/06/692971206.db2.gz FOSDHTHXDHNDLX-GVDBMIGSSA-N 1 3 309.498 2.438 20 0 DEADHO CC[C@H]([NH2+]CCCN1CCN(CC)CC1)c1cccc(OC)n1 ZINC000924658020 693166431 /nfs/dbraw/zinc/16/64/31/693166431.db2.gz JCMHOVCMXAHRKE-INIZCTEOSA-N 1 3 320.481 2.159 20 0 DEADHO C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(C(C)(C)O)cc1 ZINC000924756833 693181335 /nfs/dbraw/zinc/18/13/35/693181335.db2.gz MYVWENJOJAVUQG-PBHICJAKSA-N 1 3 306.450 2.021 20 0 DEADHO CCCC[NH+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001050662631 693226880 /nfs/dbraw/zinc/22/68/80/693226880.db2.gz KQMDZMKAWKBGCO-MRXNPFEDSA-N 1 3 307.482 2.053 20 0 DEADHO CC1(C)C[C@@H]([NH3+])C[C@H](NCc2ccc(CS(C)(=O)=O)cc2)C1 ZINC000925484337 693280733 /nfs/dbraw/zinc/28/07/33/693280733.db2.gz DYOKTBCGKKADIO-HOTGVXAUSA-N 1 3 324.490 2.227 20 0 DEADHO N[C@H]1C[C@@H]([NH2+]CCc2ccn(-c3ccc(F)cc3)n2)C12CCC2 ZINC000925524571 693288680 /nfs/dbraw/zinc/28/86/80/693288680.db2.gz VQECNDACIXOXON-DLBZAZTESA-N 1 3 314.408 2.413 20 0 DEADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1CCN(c3ncccc3Cl)C1)[NH2+]2 ZINC000925550811 693294979 /nfs/dbraw/zinc/29/49/79/693294979.db2.gz CNOCILIBBOSGCD-STGWMILLSA-N 1 3 320.868 2.432 20 0 DEADHO CCN(CC)C(=O)CCC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925597287 693306685 /nfs/dbraw/zinc/30/66/85/693306685.db2.gz MOHDFVVBKFWJNR-DLBZAZTESA-N 1 3 309.498 2.393 20 0 DEADHO CCOC(=O)N1CCC([C@@H](C)[NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000925641733 693315391 /nfs/dbraw/zinc/31/53/91/693315391.db2.gz AKROKDRVQVPUEN-UKRRQHHQSA-N 1 3 309.454 2.118 20 0 DEADHO COc1ccc([C@H](CO)CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925684452 693324800 /nfs/dbraw/zinc/32/48/00/693324800.db2.gz BEYBZPUZADQFIK-JYJNAYRXSA-N 1 3 306.450 2.267 20 0 DEADHO N[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C(=O)OCc3ccccc3)C2)C12CCC2 ZINC000925729418 693331077 /nfs/dbraw/zinc/33/10/77/693331077.db2.gz PWFVLKJMAQWSLC-VQHPVUNQSA-N 1 3 314.429 2.368 20 0 DEADHO C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc2c(c1)CCC(=O)N2 ZINC000925781278 693341042 /nfs/dbraw/zinc/34/10/42/693341042.db2.gz XUXBSIGPKGTYJA-SMDDNHRTSA-N 1 3 323.387 2.467 20 0 DEADHO Cc1cc(C(F)(F)F)nn1CCN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000925805351 693344739 /nfs/dbraw/zinc/34/47/39/693344739.db2.gz STUAXLRRYNODOD-NWDGAFQWSA-N 1 3 304.360 2.188 20 0 DEADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cnn(C2CCC2)c1 ZINC000926358523 693436253 /nfs/dbraw/zinc/43/62/53/693436253.db2.gz ZXHXXWVPQCJKSO-OAHLLOKOSA-N 1 3 319.497 2.285 20 0 DEADHO C([NH2+][C@H]1CCOC12CCOCC2)[C@@H]1CCCN(CC2CC2)C1 ZINC000926739691 693501814 /nfs/dbraw/zinc/50/18/14/693501814.db2.gz XJVVFNRZIZJHAM-IRXDYDNUSA-N 1 3 308.466 2.036 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001052716486 693602350 /nfs/dbraw/zinc/60/23/50/693602350.db2.gz NIQJUMGHKWITPD-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001052716486 693602352 /nfs/dbraw/zinc/60/23/52/693602352.db2.gz NIQJUMGHKWITPD-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053029007 693672581 /nfs/dbraw/zinc/67/25/81/693672581.db2.gz OSMMEGDJGIZEKE-IRXDYDNUSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053029007 693672585 /nfs/dbraw/zinc/67/25/85/693672585.db2.gz OSMMEGDJGIZEKE-IRXDYDNUSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccsc1)C1CC1)N(C)C ZINC001402321723 1162324323 /nfs/dbraw/zinc/32/43/23/1162324323.db2.gz GHOCLEWYFHVAIR-GJZGRUSLSA-N 1 3 309.479 2.073 20 0 DEADHO C[C@@H]1C[C@@H](NC/C=C\Cl)CN1C(=O)CCCC[NH+](C)C ZINC001332045719 1149812844 /nfs/dbraw/zinc/81/28/44/1149812844.db2.gz FJZCABWXMZOTTG-JFDUVMPXSA-N 1 3 301.862 2.050 20 0 DEADHO CCC[N@H+](C)Cc1ccccc1CNC(=O)CN1CC[C@H](C)C1 ZINC001402476876 1162365265 /nfs/dbraw/zinc/36/52/65/1162365265.db2.gz IEAJBGLJGRMRTE-INIZCTEOSA-N 1 3 317.477 2.486 20 0 DEADHO CCC[N@@H+](C)Cc1ccccc1CNC(=O)CN1CC[C@H](C)C1 ZINC001402476876 1162365269 /nfs/dbraw/zinc/36/52/69/1162365269.db2.gz IEAJBGLJGRMRTE-INIZCTEOSA-N 1 3 317.477 2.486 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CCC[N@H+](CCC(F)(F)F)CC1 ZINC001402603266 1162407517 /nfs/dbraw/zinc/40/75/17/1162407517.db2.gz CXYHWYRXGJEWAT-ZDUSSCGKSA-N 1 3 323.403 2.251 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CCC[N@@H+](CCC(F)(F)F)CC1 ZINC001402603266 1162407519 /nfs/dbraw/zinc/40/75/19/1162407519.db2.gz CXYHWYRXGJEWAT-ZDUSSCGKSA-N 1 3 323.403 2.251 20 0 DEADHO CC[C@@H](C(=O)N1CCC(CC)([NH2+]CC[C@H](C)F)CC1)N(C)C ZINC001402702572 1162445558 /nfs/dbraw/zinc/44/55/58/1162445558.db2.gz MZQIGLICLCJCAN-GJZGRUSLSA-N 1 3 315.477 2.436 20 0 DEADHO CC[C@@H](F)C[NH2+]C1(CC)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001402709234 1162446623 /nfs/dbraw/zinc/44/66/23/1162446623.db2.gz ZZTUZBKSBRFVMF-CYBMUJFWSA-N 1 3 310.417 2.061 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@H]1CCCN(C/C=C\Cl)C1 ZINC001402783529 1162470969 /nfs/dbraw/zinc/47/09/69/1162470969.db2.gz PFQNADOJJJCRBF-IIQYJXCPSA-N 1 3 315.889 2.297 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H]1CCCN(C/C=C\Cl)C1 ZINC001402783529 1162470973 /nfs/dbraw/zinc/47/09/73/1162470973.db2.gz PFQNADOJJJCRBF-IIQYJXCPSA-N 1 3 315.889 2.297 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]C/C=C/Cl ZINC001402841114 1162492550 /nfs/dbraw/zinc/49/25/50/1162492550.db2.gz CUQRAPLJJGJLQE-OVPGCVMQSA-N 1 3 315.889 2.486 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]C/C=C/c2ccccc2)CC1)N(C)C ZINC001380101595 1152749885 /nfs/dbraw/zinc/74/98/85/1152749885.db2.gz LNLFWQOITARWIG-VGMNTSGFSA-N 1 3 315.461 2.278 20 0 DEADHO CC(C)[C@H](C(=O)NCC1([NH2+]Cc2ccccc2)CC1)N(C)C ZINC001380138908 1152755558 /nfs/dbraw/zinc/75/55/58/1152755558.db2.gz PVOVRNAMMFPOBZ-MRXNPFEDSA-N 1 3 303.450 2.011 20 0 DEADHO CCCN(C)CC(=O)NC1(C2CC[NH+](CCCF)CC2)CC1 ZINC001380183920 1152763891 /nfs/dbraw/zinc/76/38/91/1152763891.db2.gz LREBHFIJKNXKDR-UHFFFAOYSA-N 1 3 313.461 2.049 20 0 DEADHO CCCC[NH+]1CCC(C2(NC(=O)Cc3nc[nH]c3C)CC2)CC1 ZINC001380183981 1152763906 /nfs/dbraw/zinc/76/39/06/1152763906.db2.gz MWWGTRMRARGUTA-UHFFFAOYSA-N 1 3 318.465 2.422 20 0 DEADHO CCC(CC)CN1CC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001380228223 1152772073 /nfs/dbraw/zinc/77/20/73/1152772073.db2.gz DOYZHIDQXHXHGY-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CCC(CC)CN1CC(N(C)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001380228223 1152772077 /nfs/dbraw/zinc/77/20/77/1152772077.db2.gz DOYZHIDQXHXHGY-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[NH2+]C[C@]1(C)CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001380422020 1152809658 /nfs/dbraw/zinc/80/96/58/1152809658.db2.gz JGUZEPWSXMKKSJ-SFHVURJKSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)CCC[N@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001381305212 1152999240 /nfs/dbraw/zinc/99/92/40/1152999240.db2.gz ZNABHBNUSPAYFJ-MRXNPFEDSA-N 1 3 306.454 2.311 20 0 DEADHO CC(C)CCC[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001381305212 1152999245 /nfs/dbraw/zinc/99/92/45/1152999245.db2.gz ZNABHBNUSPAYFJ-MRXNPFEDSA-N 1 3 306.454 2.311 20 0 DEADHO Cc1cc(CN(C)[C@@H](C)CNC(=O)CC[NH+](C)C)c(C)s1 ZINC001381562730 1153127561 /nfs/dbraw/zinc/12/75/61/1153127561.db2.gz GUQNQFRKVMMEKZ-LBPRGKRZSA-N 1 3 311.495 2.253 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)C1C[NH+](CCCC2CCC2)C1 ZINC001381787408 1153222867 /nfs/dbraw/zinc/22/28/67/1153222867.db2.gz OBNXTURTHDGACZ-OAHLLOKOSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](C)C[N@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001381979493 1153301432 /nfs/dbraw/zinc/30/14/32/1153301432.db2.gz MVXGUXYDFLPCDG-OAHLLOKOSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C)C[N@@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001381979493 1153301438 /nfs/dbraw/zinc/30/14/38/1153301438.db2.gz MVXGUXYDFLPCDG-OAHLLOKOSA-N 1 3 309.498 2.440 20 0 DEADHO CCC(CC)C[N@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001381987266 1153306624 /nfs/dbraw/zinc/30/66/24/1153306624.db2.gz FFGPAIVJIKKLQY-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@H](CN(C)C(=O)CN(C)CC(C)(C)C)[NH2+]C/C=C\Cl ZINC001382118759 1153365104 /nfs/dbraw/zinc/36/51/04/1153365104.db2.gz JASUHPUTBDJPRC-MEJMFZKBSA-N 1 3 303.878 2.153 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001382168850 1153387373 /nfs/dbraw/zinc/38/73/73/1153387373.db2.gz UHAJMVHZIXDNBU-KQPPXVQYSA-N 1 3 317.477 2.477 20 0 DEADHO CC(C)C[C@H](NC/C=C\c1ccccc1)C(=O)NCC[NH+](C)C ZINC001363414588 1153387692 /nfs/dbraw/zinc/38/76/92/1153387692.db2.gz ZVOMSKKKNHEYBL-YFWYWMRJSA-N 1 3 317.477 2.382 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCC2CCCC2)[C@@H]1C ZINC001382299372 1153416195 /nfs/dbraw/zinc/41/61/95/1153416195.db2.gz AQUIANFKIGMMGY-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)NCc1ccc(C[NH2+]CC2CC2)cc1F)N(C)C ZINC001382599005 1153478730 /nfs/dbraw/zinc/47/87/30/1153478730.db2.gz OZXGUEGKZZDXFI-QGZVFWFLSA-N 1 3 321.440 2.282 20 0 DEADHO C[C@H](C(=O)N1C[C@@H](C)N(Cc2ccccc2)[C@H](C)[C@H]1C)[NH+](C)C ZINC001363768372 1153617607 /nfs/dbraw/zinc/61/76/07/1153617607.db2.gz DAFVACGXLSLXPA-QBPKDAKJSA-N 1 3 317.477 2.446 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)C(C)C)cc1F ZINC001403060227 1162678561 /nfs/dbraw/zinc/67/85/61/1162678561.db2.gz ZXJBPDWRIFDYAN-HUUCEWRRSA-N 1 3 323.456 2.457 20 0 DEADHO CC(C)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001389347756 1155315959 /nfs/dbraw/zinc/31/59/59/1155315959.db2.gz OIZHNVNZWBLVDB-DOTOQJQBSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1)N(C)C ZINC001389898235 1155466009 /nfs/dbraw/zinc/46/60/09/1155466009.db2.gz JUIJNEDJVSDSFT-YYQUZTFQSA-N 1 3 321.440 2.464 20 0 DEADHO Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)CN(C)C3CCC3)C2)cs1 ZINC001389955166 1155482170 /nfs/dbraw/zinc/48/21/70/1155482170.db2.gz GNKLFAWTMWIPJC-GASCZTMLSA-N 1 3 321.490 2.278 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001390037094 1155506261 /nfs/dbraw/zinc/50/62/61/1155506261.db2.gz JWCLNSCDXZNUEC-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C)C[N@H+]1CCC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001390037094 1155506263 /nfs/dbraw/zinc/50/62/63/1155506263.db2.gz JWCLNSCDXZNUEC-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001390066434 1155518039 /nfs/dbraw/zinc/51/80/39/1155518039.db2.gz AHPHMBCHZLSREV-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001390147653 1155545175 /nfs/dbraw/zinc/54/51/75/1155545175.db2.gz RDDGKKAJKOVDOL-GDBMZVCRSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H]([NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1)c1ccc(F)cc1 ZINC001390397610 1155699537 /nfs/dbraw/zinc/69/95/37/1155699537.db2.gz ICKYVVZKFCLNFM-UONOGXRCSA-N 1 3 321.440 2.465 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1cc(C)sc1C)N(C)C ZINC001390508748 1155774982 /nfs/dbraw/zinc/77/49/82/1155774982.db2.gz MJFMCQOPOMMZIU-NHYWBVRUSA-N 1 3 311.495 2.299 20 0 DEADHO C[N@H+](CCC(C)(C)C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001390624530 1155818386 /nfs/dbraw/zinc/81/83/86/1155818386.db2.gz MEZKYBTVAOOTTB-OAHLLOKOSA-N 1 3 306.454 2.311 20 0 DEADHO C[N@@H+](CCC(C)(C)C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001390624530 1155818388 /nfs/dbraw/zinc/81/83/88/1155818388.db2.gz MEZKYBTVAOOTTB-OAHLLOKOSA-N 1 3 306.454 2.311 20 0 DEADHO C[C@H](C(=O)NC[C@H](C)NCc1cncs1)[NH+]1CCCCCC1 ZINC001371382195 1155839514 /nfs/dbraw/zinc/83/95/14/1155839514.db2.gz HUGBWSYWABOKJR-UONOGXRCSA-N 1 3 324.494 2.002 20 0 DEADHO Cc1cc(C[NH2+][C@@H](C)CCNC(=O)Cc2nc[nH]c2C)cs1 ZINC001390720502 1155849170 /nfs/dbraw/zinc/84/91/70/1155849170.db2.gz SSWUDGFHPIWIAG-NSHDSACASA-N 1 3 320.462 2.315 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CNC(=O)CN(C)C(C)C)c(C)c1 ZINC001371473001 1155857533 /nfs/dbraw/zinc/85/75/33/1155857533.db2.gz IEEJEPLHJSMTNA-INIZCTEOSA-N 1 3 305.466 2.238 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](C)C[C@@H]1CCCC(F)(F)C1)N(C)C ZINC001390848777 1155890491 /nfs/dbraw/zinc/89/04/91/1155890491.db2.gz XLLPAHSPJUNHLY-ZIAGYGMSSA-N 1 3 319.440 2.200 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](C)C[C@@H]1CCCC(F)(F)C1)N(C)C ZINC001390848777 1155890492 /nfs/dbraw/zinc/89/04/92/1155890492.db2.gz XLLPAHSPJUNHLY-ZIAGYGMSSA-N 1 3 319.440 2.200 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001371772678 1156008762 /nfs/dbraw/zinc/00/87/62/1156008762.db2.gz UVONTRUEIZAHBD-INIZCTEOSA-N 1 3 317.477 2.464 20 0 DEADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccccc1C)N(C)C ZINC001371826528 1156033486 /nfs/dbraw/zinc/03/34/86/1156033486.db2.gz GRYMSWREQIQUCQ-RDJZCZTQSA-N 1 3 305.466 2.320 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@H]1CCc2c1cccc2F)N(C)C ZINC001391220113 1156261531 /nfs/dbraw/zinc/26/15/31/1156261531.db2.gz OVROSSCTQWEMES-IRXDYDNUSA-N 1 3 321.440 2.201 20 0 DEADHO C[C@@H](C(=O)N1CC[C@@H](CN(C)CCF)C1)[NH+]1CCCCCC1 ZINC001391365174 1156362370 /nfs/dbraw/zinc/36/23/70/1156362370.db2.gz WTPCPAIPVMHNLV-HOTGVXAUSA-N 1 3 313.461 2.001 20 0 DEADHO CC(C)C[C@H](C)C[NH+]1CC(CNC(=O)CN(C)C2CCC2)C1 ZINC001391490858 1156459482 /nfs/dbraw/zinc/45/94/82/1156459482.db2.gz LDFBKLFBQYLQQD-HNNXBMFYSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]C[C@@H](F)CC ZINC001391689535 1156697326 /nfs/dbraw/zinc/69/73/26/1156697326.db2.gz FLBBOUPDRJMNRE-LSDHHAIUSA-N 1 3 315.477 2.483 20 0 DEADHO CC[C@@H](F)C[NH2+][C@@H](CC)CNC(=O)C(C)(C)N1CCCCC1 ZINC001391689520 1156697881 /nfs/dbraw/zinc/69/78/81/1156697881.db2.gz FLBBOUPDRJMNRE-CABCVRRESA-N 1 3 315.477 2.483 20 0 DEADHO CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1ccsc1 ZINC001391720918 1156737002 /nfs/dbraw/zinc/73/70/02/1156737002.db2.gz KMPFRGLROPAWPX-LSDHHAIUSA-N 1 3 311.495 2.319 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H](C)N(C)Cc1cccc(F)c1)[NH+](C)C ZINC001403173677 1162806784 /nfs/dbraw/zinc/80/67/84/1162806784.db2.gz VWNDGOHBLHHCCZ-WMLDXEAASA-N 1 3 323.456 2.348 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(F)cc1C)N(C)C ZINC001403181512 1162810903 /nfs/dbraw/zinc/81/09/03/1162810903.db2.gz KPSCNLXJJPWCSL-YOEHRIQHSA-N 1 3 323.456 2.411 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(F)cc1C)N(C)C ZINC001403181512 1162810906 /nfs/dbraw/zinc/81/09/06/1162810906.db2.gz KPSCNLXJJPWCSL-YOEHRIQHSA-N 1 3 323.456 2.411 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@H](C)c1ccccc1C)N(C)C ZINC001372941950 1156825484 /nfs/dbraw/zinc/82/54/84/1156825484.db2.gz DPDHGBKONWSJCD-WBVHZDCISA-N 1 3 305.466 2.444 20 0 DEADHO CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001373035840 1156843719 /nfs/dbraw/zinc/84/37/19/1156843719.db2.gz QKWOSTKRQXTBQY-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001373035837 1156843728 /nfs/dbraw/zinc/84/37/28/1156843728.db2.gz QKWOSTKRQXTBQY-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1ccccc1C[NH+]1CC(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001373513763 1157076881 /nfs/dbraw/zinc/07/68/81/1157076881.db2.gz NGZKABWTSKWZJV-UHFFFAOYSA-N 1 3 315.461 2.027 20 0 DEADHO CC(C)C[C@@H](C)C[NH+]1CC(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001373538792 1157086212 /nfs/dbraw/zinc/08/62/12/1157086212.db2.gz NVXXNCNIXDWQSL-HZPDHXFCSA-N 1 3 309.498 2.058 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]Cc1cc2ccccc2o1 ZINC001392523252 1157089375 /nfs/dbraw/zinc/08/93/75/1157089375.db2.gz BQEWYKPANBYEFS-CQSZACIVSA-N 1 3 317.433 2.369 20 0 DEADHO C[C@@H](CN[C@@H](C)c1ccc(F)c(F)c1)NC(=O)CC[NH+](C)C ZINC001392596773 1157190536 /nfs/dbraw/zinc/19/05/36/1157190536.db2.gz WFENDMYKTXBBDG-RYUDHWBXSA-N 1 3 313.392 2.072 20 0 DEADHO CCc1ccccc1C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001392611193 1157208805 /nfs/dbraw/zinc/20/88/05/1157208805.db2.gz XPHVSKSPDJKNGT-MAUKXSAKSA-N 1 3 319.493 2.430 20 0 DEADHO CC(C)CCC[NH+]1CC([C@@H](C)NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001403330172 1162853191 /nfs/dbraw/zinc/85/31/91/1162853191.db2.gz PYGGCDQFZFDLMM-HZPDHXFCSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccsc1)C1CC1)N(C)C ZINC001392793479 1157421116 /nfs/dbraw/zinc/42/11/16/1157421116.db2.gz NWPXWZNLMOQDLJ-GJZGRUSLSA-N 1 3 309.479 2.073 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCCF)C2 ZINC001392987835 1157590711 /nfs/dbraw/zinc/59/07/11/1157590711.db2.gz YBEJKDLMYBJMDT-KRWDZBQOSA-N 1 3 313.461 2.001 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCCF)C2 ZINC001392987835 1157590720 /nfs/dbraw/zinc/59/07/20/1157590720.db2.gz YBEJKDLMYBJMDT-KRWDZBQOSA-N 1 3 313.461 2.001 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)C[NH2+][C@H]1CCc2ccccc21 ZINC001374106529 1157630136 /nfs/dbraw/zinc/63/01/36/1157630136.db2.gz XUIGADMWHQOPRJ-YJBOKZPZSA-N 1 3 317.477 2.358 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@H](C)CNC(=O)CN(C)C(C)C ZINC001374111457 1157633730 /nfs/dbraw/zinc/63/37/30/1157633730.db2.gz DHDSQCKBOQMMLX-HNNXBMFYSA-N 1 3 305.466 2.177 20 0 DEADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001393824868 1158011086 /nfs/dbraw/zinc/01/10/86/1158011086.db2.gz UFRRVRYQNXIQDP-BBRMVZONSA-N 1 3 309.429 2.150 20 0 DEADHO CCc1cccc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001374932203 1158099214 /nfs/dbraw/zinc/09/92/14/1158099214.db2.gz WIHPJPWFVWZEQJ-MAUKXSAKSA-N 1 3 319.493 2.430 20 0 DEADHO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)C(C)C)cc1 ZINC001394004493 1158155053 /nfs/dbraw/zinc/15/50/53/1158155053.db2.gz PZAXMNLFERQEMC-CABCVRRESA-N 1 3 321.465 2.018 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1cccc(C)c1)N(C)C ZINC001394126757 1158320002 /nfs/dbraw/zinc/32/00/02/1158320002.db2.gz NETRFSHFIJHJIC-RDJZCZTQSA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1cccc(C)c1)N(C)C ZINC001394126757 1158320010 /nfs/dbraw/zinc/32/00/10/1158320010.db2.gz NETRFSHFIJHJIC-RDJZCZTQSA-N 1 3 305.466 2.272 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[N@H+](C)CCCC1CCC1 ZINC001394131662 1158325253 /nfs/dbraw/zinc/32/52/53/1158325253.db2.gz NJXWCPQGMDBVTO-CYBMUJFWSA-N 1 3 306.454 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[N@@H+](C)CCCC1CCC1 ZINC001394131662 1158325263 /nfs/dbraw/zinc/32/52/63/1158325263.db2.gz NJXWCPQGMDBVTO-CYBMUJFWSA-N 1 3 306.454 2.277 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1C)N(C)C ZINC001375134449 1158344264 /nfs/dbraw/zinc/34/42/64/1158344264.db2.gz HHMLVHIQBCVLTH-RDJZCZTQSA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1C)N(C)C ZINC001375134449 1158344274 /nfs/dbraw/zinc/34/42/74/1158344274.db2.gz HHMLVHIQBCVLTH-RDJZCZTQSA-N 1 3 305.466 2.272 20 0 DEADHO CCC(CC)C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001394374812 1158446491 /nfs/dbraw/zinc/44/64/91/1158446491.db2.gz GPLMUDTYAHVDQX-XIRDDKMYSA-N 1 3 309.498 2.249 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@@H]1CCN1[C@H]1CCCc2ccccc21 ZINC001375341110 1158514714 /nfs/dbraw/zinc/51/47/14/1158514714.db2.gz OPQDHRYXBBZGDP-WMZOPIPTSA-N 1 3 315.461 2.206 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1(C)CC[NH+](CC2CC(C)C2)CC1 ZINC001375781480 1158870579 /nfs/dbraw/zinc/87/05/79/1158870579.db2.gz TWYBWVWKXQWINC-UHFFFAOYSA-N 1 3 318.465 2.277 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CC2CCC2)C1)N(CC)CC ZINC001376067396 1159081030 /nfs/dbraw/zinc/08/10/30/1159081030.db2.gz CIIWHTVVEFGFEF-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC2CCC2)C1)N(CC)CC ZINC001376067396 1159081036 /nfs/dbraw/zinc/08/10/36/1159081036.db2.gz CIIWHTVVEFGFEF-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]([NH2+]Cc2ccccc2)C2CC2)C1 ZINC001376252227 1159294666 /nfs/dbraw/zinc/29/46/66/1159294666.db2.gz LILXGOKPZXFGDW-YJBOKZPZSA-N 1 3 315.461 2.013 20 0 DEADHO C[NH+](C)CCC(=O)N[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001376479156 1159462638 /nfs/dbraw/zinc/46/26/38/1159462638.db2.gz PKPWTFKTKOSXLM-OKILXGFUSA-N 1 3 309.841 2.029 20 0 DEADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NCc1ccccc1Cl ZINC001403627193 1163060363 /nfs/dbraw/zinc/06/03/63/1163060363.db2.gz IVWISRVENFOMSK-HIFRSBDPSA-N 1 3 323.868 2.228 20 0 DEADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NCc1ccccc1Cl ZINC001403627193 1163060374 /nfs/dbraw/zinc/06/03/74/1163060374.db2.gz IVWISRVENFOMSK-HIFRSBDPSA-N 1 3 323.868 2.228 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CNC(=O)CN(C)C2CCC2)c(C)c1 ZINC001376740682 1159750606 /nfs/dbraw/zinc/75/06/06/1159750606.db2.gz NJIKKXWWTLBIDK-INIZCTEOSA-N 1 3 317.477 2.382 20 0 DEADHO CC[C@H](F)C[NH2+]C1(CNC(=O)C(C)(C)N2CCCC2)CCC1 ZINC001376769638 1159782490 /nfs/dbraw/zinc/78/24/90/1159782490.db2.gz IQRKEKMZYPPBSB-AWEZNQCLSA-N 1 3 313.461 2.237 20 0 DEADHO C[C@H](CNC(=O)c1ccccc1CC[NH+](C)C)NC/C=C\Cl ZINC001376785317 1159797682 /nfs/dbraw/zinc/79/76/82/1159797682.db2.gz LXKIPLJTVRIDOD-LBIZBFCRSA-N 1 3 323.868 2.251 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001376843828 1159820695 /nfs/dbraw/zinc/82/06/95/1159820695.db2.gz CJRQLISENZBPDP-CYBMUJFWSA-N 1 3 319.440 2.248 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001376916920 1159845359 /nfs/dbraw/zinc/84/53/59/1159845359.db2.gz CJDBBKZQDSKSPF-KRWDZBQOSA-N 1 3 303.450 2.027 20 0 DEADHO CC[C@@H](F)CN(C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001376971818 1159860367 /nfs/dbraw/zinc/86/03/67/1159860367.db2.gz DGLKCQAYSIMMBY-HRCADAONSA-N 1 3 315.477 2.245 20 0 DEADHO CC[C@@H](F)CN(C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001376971818 1159860368 /nfs/dbraw/zinc/86/03/68/1159860368.db2.gz DGLKCQAYSIMMBY-HRCADAONSA-N 1 3 315.477 2.245 20 0 DEADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+]CC=C(Cl)Cl ZINC001377035366 1159881602 /nfs/dbraw/zinc/88/16/02/1159881602.db2.gz LBBMDCPNJWBVBL-LLVKDONJSA-N 1 3 322.280 2.274 20 0 DEADHO C[C@H](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CC1CC1 ZINC001377070225 1159890737 /nfs/dbraw/zinc/89/07/37/1159890737.db2.gz VSRZIDUNNJAKGI-CXAGYDPISA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)c1ccccc1C[N@H+](C)CCNC(=O)[C@@H]1CCCN1C ZINC001377128363 1159935945 /nfs/dbraw/zinc/93/59/45/1159935945.db2.gz HEEWVYNHIIAJGR-SFHVURJKSA-N 1 3 317.477 2.452 20 0 DEADHO CC(C)c1ccccc1C[N@@H+](C)CCNC(=O)[C@@H]1CCCN1C ZINC001377128363 1159935963 /nfs/dbraw/zinc/93/59/63/1159935963.db2.gz HEEWVYNHIIAJGR-SFHVURJKSA-N 1 3 317.477 2.452 20 0 DEADHO CCCN(C)CC(=O)NCC[N@H+](C)[C@H](C)c1ccccc1C ZINC001377255578 1160084578 /nfs/dbraw/zinc/08/45/78/1160084578.db2.gz OESAIKABMOBGLF-MRXNPFEDSA-N 1 3 305.466 2.446 20 0 DEADHO CCCN(C)CC(=O)NCC[N@@H+](C)[C@H](C)c1ccccc1C ZINC001377255578 1160084585 /nfs/dbraw/zinc/08/45/85/1160084585.db2.gz OESAIKABMOBGLF-MRXNPFEDSA-N 1 3 305.466 2.446 20 0 DEADHO CN(CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)Cc1ccccc1 ZINC001403695084 1163095828 /nfs/dbraw/zinc/09/58/28/1163095828.db2.gz DYHFTIULUWYHAD-MSOLQXFVSA-N 1 3 315.461 2.252 20 0 DEADHO CN(CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)Cc1ccccc1 ZINC001403695084 1163095835 /nfs/dbraw/zinc/09/58/35/1163095835.db2.gz DYHFTIULUWYHAD-MSOLQXFVSA-N 1 3 315.461 2.252 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](CCC2CC2)CC1(C)C ZINC001377330059 1160224905 /nfs/dbraw/zinc/22/49/05/1160224905.db2.gz URDKQRZMICSRSU-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](CCC2CC2)CC1(C)C ZINC001377330059 1160224915 /nfs/dbraw/zinc/22/49/15/1160224915.db2.gz URDKQRZMICSRSU-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001377408161 1160335180 /nfs/dbraw/zinc/33/51/80/1160335180.db2.gz BFNWNVRTZXMENE-RHSMWYFYSA-N 1 3 313.461 2.190 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001377408161 1160335192 /nfs/dbraw/zinc/33/51/92/1160335192.db2.gz BFNWNVRTZXMENE-RHSMWYFYSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2C[N@H+](C)CCC2CC2)C1 ZINC001397808289 1160533969 /nfs/dbraw/zinc/53/39/69/1160533969.db2.gz CCBBLURKSFKESL-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2C[N@@H+](C)CCC2CC2)C1 ZINC001397808289 1160533979 /nfs/dbraw/zinc/53/39/79/1160533979.db2.gz CCBBLURKSFKESL-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC001398297825 1160848957 /nfs/dbraw/zinc/84/89/57/1160848957.db2.gz IODNOWKEPYIIKP-ZWKOTPCHSA-N 1 3 315.461 2.252 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC001398297825 1160848958 /nfs/dbraw/zinc/84/89/58/1160848958.db2.gz IODNOWKEPYIIKP-ZWKOTPCHSA-N 1 3 315.461 2.252 20 0 DEADHO CC[C@@H](F)C[NH2+]C1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC001377921580 1160872483 /nfs/dbraw/zinc/87/24/83/1160872483.db2.gz FQCNGPZRWDJZTN-DNOWBOINSA-N 1 3 310.417 2.060 20 0 DEADHO CC[C@@H](C(=O)NCC1C[NH+]([C@H](C)c2ccccc2C)C1)N(C)C ZINC001377994931 1160896310 /nfs/dbraw/zinc/89/63/10/1160896310.db2.gz HDHJCSMAILMCPA-QAPCUYQASA-N 1 3 317.477 2.444 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2F)C1)N(C)C ZINC001398628924 1161024894 /nfs/dbraw/zinc/02/48/94/1161024894.db2.gz SVTDWRIXYKRKDG-UXLLHSPISA-N 1 3 321.440 2.211 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001399123410 1161248337 /nfs/dbraw/zinc/24/83/37/1161248337.db2.gz YTEONBCEIHAYMM-ZIAGYGMSSA-N 1 3 309.429 2.323 20 0 DEADHO COc1cccc([C@H](C)[NH2+][C@H](C)CNC(=O)CN(C)C(C)C)c1 ZINC001399167473 1161266228 /nfs/dbraw/zinc/26/62/28/1161266228.db2.gz PPNBUAFKYAMAHL-CABCVRRESA-N 1 3 321.465 2.191 20 0 DEADHO C[C@H](c1cccc(F)c1)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001399491174 1161423954 /nfs/dbraw/zinc/42/39/54/1161423954.db2.gz YMTNXEYAFFOXSV-CKEIUWERSA-N 1 3 321.440 2.275 20 0 DEADHO C[C@H](c1cccc(F)c1)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001399491174 1161423959 /nfs/dbraw/zinc/42/39/59/1161423959.db2.gz YMTNXEYAFFOXSV-CKEIUWERSA-N 1 3 321.440 2.275 20 0 DEADHO CC[C@@H](C)C[N@H+](CCNC(=O)[C@@H]1CCCCN1CC)C1CC1 ZINC001400053450 1161642511 /nfs/dbraw/zinc/64/25/11/1161642511.db2.gz JQBPUEQSRMQIGG-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C)C[N@@H+](CCNC(=O)[C@@H]1CCCCN1CC)C1CC1 ZINC001400053450 1161642513 /nfs/dbraw/zinc/64/25/13/1161642513.db2.gz JQBPUEQSRMQIGG-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CC[NH2+][C@H](CNC(=O)CN(C)CC(C)(C)C)c1ccccc1 ZINC001400111798 1161655525 /nfs/dbraw/zinc/65/55/25/1161655525.db2.gz XNIWCUPZIRAOPE-MRXNPFEDSA-N 1 3 305.466 2.431 20 0 DEADHO CC(C)CCC[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001400259103 1161701877 /nfs/dbraw/zinc/70/18/77/1161701877.db2.gz ZPMVFBXUKDQYRN-OAHLLOKOSA-N 1 3 306.454 2.169 20 0 DEADHO CC(C)CCC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001400259103 1161701880 /nfs/dbraw/zinc/70/18/80/1161701880.db2.gz ZPMVFBXUKDQYRN-OAHLLOKOSA-N 1 3 306.454 2.169 20 0 DEADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1ccccc1F ZINC001400806185 1161825160 /nfs/dbraw/zinc/82/51/60/1161825160.db2.gz WLJIEZDKIAWWML-FVQBIDKESA-N 1 3 321.440 2.150 20 0 DEADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1ccccc1F ZINC001400806185 1161825162 /nfs/dbraw/zinc/82/51/62/1161825162.db2.gz WLJIEZDKIAWWML-FVQBIDKESA-N 1 3 321.440 2.150 20 0 DEADHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1csc(C)c1 ZINC001400866979 1161837930 /nfs/dbraw/zinc/83/79/30/1161837930.db2.gz UHACYHJBSXMARF-BBRMVZONSA-N 1 3 323.506 2.383 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)C[NH2+]CC1CCC1 ZINC001401110788 1161875709 /nfs/dbraw/zinc/87/57/09/1161875709.db2.gz XZOKAYPGNHJGDO-HNNXBMFYSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC1CC(C)(C)C1)N(C)C ZINC001401144250 1161882180 /nfs/dbraw/zinc/88/21/80/1161882180.db2.gz KVJBJMBEBHPVJB-HOCLYGCPSA-N 1 3 311.514 2.351 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001401250016 1161905249 /nfs/dbraw/zinc/90/52/49/1161905249.db2.gz CTTNWVBBCKNOOO-YOEHRIQHSA-N 1 3 323.456 2.433 20 0 DEADHO CC[C@H](C(=O)N(C)CC[N@H+](C)C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001401436673 1161994470 /nfs/dbraw/zinc/99/44/70/1161994470.db2.gz XEEKOOBBBQSLEL-ZIAGYGMSSA-N 1 3 319.440 2.152 20 0 DEADHO CC[C@H](C(=O)N(C)CC[N@@H+](C)C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001401436673 1161994474 /nfs/dbraw/zinc/99/44/74/1161994474.db2.gz XEEKOOBBBQSLEL-ZIAGYGMSSA-N 1 3 319.440 2.152 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)CN(C)Cc1ccc(F)cc1)[NH+](C)C ZINC001401786630 1162131202 /nfs/dbraw/zinc/13/12/02/1162131202.db2.gz WBWGYSLEWZJIGM-RHSMWYFYSA-N 1 3 323.456 2.348 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccccc2)CC1 ZINC001401953331 1162194723 /nfs/dbraw/zinc/19/47/23/1162194723.db2.gz WBPCASGXZIOTJP-QGZVFWFLSA-N 1 3 315.461 2.299 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2c(C)cccc2C)CC1)N(C)C ZINC001401965985 1162200053 /nfs/dbraw/zinc/20/00/53/1162200053.db2.gz QVTKJZPPTYSQPE-KRWDZBQOSA-N 1 3 317.477 2.382 20 0 DEADHO Cc1cc(CNC2(CNC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)cs1 ZINC001401977440 1162204997 /nfs/dbraw/zinc/20/49/97/1162204997.db2.gz IPYBTGCCQDANRR-CQSZACIVSA-N 1 3 321.490 2.137 20 0 DEADHO Cc1cc(CNC2(CNC(=O)C[C@H]3CC[N@H+](C)C3)CC2)cs1 ZINC001401977440 1162205001 /nfs/dbraw/zinc/20/50/01/1162205001.db2.gz IPYBTGCCQDANRR-CQSZACIVSA-N 1 3 321.490 2.137 20 0 DEADHO CC[C@@H](F)CN1CC[C@]2(CCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001402015583 1162217277 /nfs/dbraw/zinc/21/72/77/1162217277.db2.gz RNGFLEBUNSMFDS-WBVHZDCISA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@@H](F)CN1CC[C@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001402015583 1162217282 /nfs/dbraw/zinc/21/72/82/1162217282.db2.gz RNGFLEBUNSMFDS-WBVHZDCISA-N 1 3 313.461 2.001 20 0 DEADHO C[C@H]([NH2+]CCC1CC1)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001402047837 1162228093 /nfs/dbraw/zinc/22/80/93/1162228093.db2.gz PZXNVIYJTBOUPO-BBRMVZONSA-N 1 3 304.438 2.112 20 0 DEADHO CC[N@@H+](C/C=C/c1ccccc1)CCNC(=O)[C@@H]1CCCN1C ZINC001492925857 1163306595 /nfs/dbraw/zinc/30/65/95/1163306595.db2.gz QLZMKOUVTFTDLF-DBEXCURXSA-N 1 3 315.461 2.232 20 0 DEADHO CC[N@H+](C/C=C/c1ccccc1)CCNC(=O)[C@@H]1CCCN1C ZINC001492925857 1163306601 /nfs/dbraw/zinc/30/66/01/1163306601.db2.gz QLZMKOUVTFTDLF-DBEXCURXSA-N 1 3 315.461 2.232 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001404101926 1163447672 /nfs/dbraw/zinc/44/76/72/1163447672.db2.gz XYDHTHSUAYJSTJ-CVEARBPZSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001404101926 1163447679 /nfs/dbraw/zinc/44/76/79/1163447679.db2.gz XYDHTHSUAYJSTJ-CVEARBPZSA-N 1 3 309.498 2.203 20 0 DEADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccccc1F ZINC001405376873 1164068223 /nfs/dbraw/zinc/06/82/23/1164068223.db2.gz UTHYKQYKRZUIFH-OAHLLOKOSA-N 1 3 309.429 2.150 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC2CC[NH+](CC3CCC3)CC2)C1 ZINC001405560045 1164149223 /nfs/dbraw/zinc/14/92/23/1164149223.db2.gz UKFCYYRFPGZDSZ-MRXNPFEDSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1ccccc1 ZINC001405674188 1164181246 /nfs/dbraw/zinc/18/12/46/1164181246.db2.gz OHVUPJLGVIQMGR-HNNXBMFYSA-N 1 3 303.450 2.013 20 0 DEADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2(NCCF)CCCC2)C1 ZINC001405776342 1164233433 /nfs/dbraw/zinc/23/34/33/1164233433.db2.gz WVWRHQWAGXFGPT-CABCVRRESA-N 1 3 313.461 2.095 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC2CCCC2)[C@@H](C)C1 ZINC001405968011 1164362065 /nfs/dbraw/zinc/36/20/65/1164362065.db2.gz KMKBBHMUWHBEPS-RDJZCZTQSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1cccc(F)c1 ZINC001406088544 1164435949 /nfs/dbraw/zinc/43/59/49/1164435949.db2.gz XUTLDPVJOQLAGC-QGZVFWFLSA-N 1 3 323.456 2.396 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001406156107 1164482130 /nfs/dbraw/zinc/48/21/30/1164482130.db2.gz UWCRZSWXTXYIIQ-AWEZNQCLSA-N 1 3 319.440 2.154 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[N@@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001406156107 1164482133 /nfs/dbraw/zinc/48/21/33/1164482133.db2.gz UWCRZSWXTXYIIQ-AWEZNQCLSA-N 1 3 319.440 2.154 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]Cc1cccc(F)c1)N(C)C ZINC001406422206 1164587063 /nfs/dbraw/zinc/58/70/63/1164587063.db2.gz ORIWKLWTZMWSBT-CZUORRHYSA-N 1 3 309.429 2.006 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001406423295 1164587704 /nfs/dbraw/zinc/58/77/04/1164587704.db2.gz RJBSYDJRFZKIMF-WBVHZDCISA-N 1 3 305.466 2.176 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]Cc1cc2ccccc2o1 ZINC001406553441 1164674418 /nfs/dbraw/zinc/67/44/18/1164674418.db2.gz BTVZFWSCZZKPPF-AWEZNQCLSA-N 1 3 317.433 2.367 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2CCCC(C)C)CC[N@@H+]1C ZINC001406841452 1164848098 /nfs/dbraw/zinc/84/80/98/1164848098.db2.gz ZWRAGUGBSKQNDN-IXDOHACOSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2CCCC(C)C)CC[N@H+]1C ZINC001406841452 1164848104 /nfs/dbraw/zinc/84/81/04/1164848104.db2.gz ZWRAGUGBSKQNDN-IXDOHACOSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@@H]1CC[N@H+](CCC)C1 ZINC001407002011 1164918615 /nfs/dbraw/zinc/91/86/15/1164918615.db2.gz NEEBGOPMYBJFFR-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@@H]1CC[N@@H+](CCC)C1 ZINC001407002011 1164918621 /nfs/dbraw/zinc/91/86/21/1164918621.db2.gz NEEBGOPMYBJFFR-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@@H+]1CCC[C@](C)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001407292550 1165092449 /nfs/dbraw/zinc/09/24/49/1165092449.db2.gz DWTKRTSFKGUVQO-QGZVFWFLSA-N 1 3 306.454 2.279 20 0 DEADHO CCCC[N@H+]1CCC[C@](C)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001407292550 1165092455 /nfs/dbraw/zinc/09/24/55/1165092455.db2.gz DWTKRTSFKGUVQO-QGZVFWFLSA-N 1 3 306.454 2.279 20 0 DEADHO CC(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C2 ZINC001407537437 1165188127 /nfs/dbraw/zinc/18/81/27/1165188127.db2.gz UHIABPOXTMCUKU-ZJPYXAASSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C2 ZINC001407537437 1165188131 /nfs/dbraw/zinc/18/81/31/1165188131.db2.gz UHIABPOXTMCUKU-ZJPYXAASSA-N 1 3 321.509 2.343 20 0 DEADHO CN(CCC[N@H+](C)CC1CC2(CCC2)C1)C(=O)Cc1c[nH]cn1 ZINC001407922251 1165392103 /nfs/dbraw/zinc/39/21/03/1165392103.db2.gz MGDWZQYTRXOMDK-UHFFFAOYSA-N 1 3 318.465 2.313 20 0 DEADHO CN(CCC[N@@H+](C)CC1CC2(CCC2)C1)C(=O)Cc1c[nH]cn1 ZINC001407922251 1165392109 /nfs/dbraw/zinc/39/21/09/1165392109.db2.gz MGDWZQYTRXOMDK-UHFFFAOYSA-N 1 3 318.465 2.313 20 0 DEADHO CCC1([NH2+]CCC2CC2)CCN(C(=O)CN2CCCC2)CC1 ZINC001408006545 1165430762 /nfs/dbraw/zinc/43/07/62/1165430762.db2.gz VBLXZDULWVVCRT-UHFFFAOYSA-N 1 3 307.482 2.243 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001417801924 1167223096 /nfs/dbraw/zinc/22/30/96/1167223096.db2.gz RGDWNOXRWXYGAQ-HSFUPAIVSA-N 1 3 321.509 2.249 20 0 DEADHO CCCN(C(=O)Cc1c[nH]cn1)C1CC[NH+](CC2CC2)CC1 ZINC001417958969 1167328523 /nfs/dbraw/zinc/32/85/23/1167328523.db2.gz LQQKBMZDRNKRCX-UHFFFAOYSA-N 1 3 304.438 2.065 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1)C1CC1)N(C)C ZINC001417984674 1167345498 /nfs/dbraw/zinc/34/54/98/1167345498.db2.gz OSGQRLZIFSJWQD-IAGOWNOFSA-N 1 3 303.450 2.011 20 0 DEADHO C[C@@H](C(=O)NC[C@@H]([NH2+]CC1CC1)C1CC1)N1CCCCCC1 ZINC001417999687 1167354747 /nfs/dbraw/zinc/35/47/47/1167354747.db2.gz PWOOFXQUTFGBPS-WMLDXEAASA-N 1 3 307.482 2.145 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H](C[N@H+](C)CCC2CC2)C1 ZINC001418019124 1167365232 /nfs/dbraw/zinc/36/52/32/1167365232.db2.gz GCJZGFZBNVXWNF-QGZVFWFLSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H](C[N@@H+](C)CCC2CC2)C1 ZINC001418019124 1167365239 /nfs/dbraw/zinc/36/52/39/1167365239.db2.gz GCJZGFZBNVXWNF-QGZVFWFLSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1 ZINC001418220684 1167500414 /nfs/dbraw/zinc/50/04/14/1167500414.db2.gz JRPGKAOGIASTME-NVXWUHKLSA-N 1 3 303.450 2.154 20 0 DEADHO C[C@H](F)CC[N@H+](C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001418370852 1167602040 /nfs/dbraw/zinc/60/20/40/1167602040.db2.gz DFIJMXMAKOOFMS-HOCLYGCPSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@H](F)CC[N@@H+](C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001418370852 1167602043 /nfs/dbraw/zinc/60/20/43/1167602043.db2.gz DFIJMXMAKOOFMS-HOCLYGCPSA-N 1 3 313.461 2.142 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]([NH2+]CCC1CCCC1)C1CC1 ZINC001419300963 1168385418 /nfs/dbraw/zinc/38/54/18/1168385418.db2.gz CYYOGNUATAMJDS-QGZVFWFLSA-N 1 3 318.465 2.325 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C)cc2C)C1)N(C)C ZINC001419415222 1168457471 /nfs/dbraw/zinc/45/74/71/1168457471.db2.gz WDHUKJSJWZQPSD-BZSNNMDCSA-N 1 3 317.477 2.380 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001419512941 1168558440 /nfs/dbraw/zinc/55/84/40/1168558440.db2.gz GFUJFZCUDSCLBJ-FGTMMUONSA-N 1 3 317.477 2.318 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCN2C)c(C)c1 ZINC001419652802 1168757561 /nfs/dbraw/zinc/75/75/61/1168757561.db2.gz PTZVUDOPOVYIDW-WMZOPIPTSA-N 1 3 317.477 2.334 20 0 DEADHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(F)c1)N(C)C ZINC001419689838 1168803692 /nfs/dbraw/zinc/80/36/92/1168803692.db2.gz ZZKLXNSBPHAMEJ-CZUORRHYSA-N 1 3 309.429 2.102 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(C)c(F)c1 ZINC001419905038 1168899324 /nfs/dbraw/zinc/89/93/24/1168899324.db2.gz HLGLPZGSKQTHJD-AWEZNQCLSA-N 1 3 309.429 2.070 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)CCN(C)Cc1ccccc1)[NH+](C)C ZINC001419975107 1169025266 /nfs/dbraw/zinc/02/52/66/1169025266.db2.gz ZZOKXZNBFMBGFB-KRWDZBQOSA-N 1 3 305.466 2.163 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cncs2)C1 ZINC001420018845 1169065804 /nfs/dbraw/zinc/06/58/04/1169065804.db2.gz KARXRVNYCRKYHK-KGLIPLIRSA-N 1 3 324.494 2.002 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001420030519 1169082096 /nfs/dbraw/zinc/08/20/96/1169082096.db2.gz ZMHWBYYFJHJQEY-STQMWFEESA-N 1 3 323.403 2.296 20 0 DEADHO Cc1cccc(CN(C)CCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001420037965 1169093279 /nfs/dbraw/zinc/09/32/79/1169093279.db2.gz MLMRGQHMKDKUIX-SFHVURJKSA-N 1 3 317.477 2.227 20 0 DEADHO Cc1cccc(CN(C)CCN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001420037965 1169093288 /nfs/dbraw/zinc/09/32/88/1169093288.db2.gz MLMRGQHMKDKUIX-SFHVURJKSA-N 1 3 317.477 2.227 20 0 DEADHO C[C@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccccc1F ZINC001420130917 1169183251 /nfs/dbraw/zinc/18/32/51/1169183251.db2.gz LFTUNGXJRIEUKN-LSDHHAIUSA-N 1 3 321.440 2.152 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC001420169140 1169208656 /nfs/dbraw/zinc/20/86/56/1169208656.db2.gz WKOIHCDGXJAHAS-CQSZACIVSA-N 1 3 309.429 2.150 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001420559137 1169797781 /nfs/dbraw/zinc/79/77/81/1169797781.db2.gz VPURZKSFGODJJN-CQSZACIVSA-N 1 3 318.465 2.135 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001420559137 1169797788 /nfs/dbraw/zinc/79/77/88/1169797788.db2.gz VPURZKSFGODJJN-CQSZACIVSA-N 1 3 318.465 2.135 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CCF)CC1 ZINC001420762894 1171126182 /nfs/dbraw/zinc/12/61/82/1171126182.db2.gz HRVJUEQRGHMPGF-HOCLYGCPSA-N 1 3 313.461 2.047 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccsc1 ZINC001421697265 1171910021 /nfs/dbraw/zinc/91/00/21/1171910021.db2.gz FMBDXJJISUQFKX-GOEBONIOSA-N 1 3 323.506 2.464 20 0 DEADHO C[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)C[NH2+]CC1CCC1 ZINC001421734484 1171944268 /nfs/dbraw/zinc/94/42/68/1171944268.db2.gz CWRBFUZJGQKNCH-JKSUJKDBSA-N 1 3 309.498 2.393 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]C/C=C\Cl)CCC1 ZINC001421748797 1171960084 /nfs/dbraw/zinc/96/00/84/1171960084.db2.gz TWFXOZPYTMRGPB-VYLZPFMQSA-N 1 3 313.873 2.242 20 0 DEADHO C[NH+](C)CCC(=O)N[C@H]1CCN(CCC(F)(F)F)CC1(C)C ZINC001422086400 1172292180 /nfs/dbraw/zinc/29/21/80/1172292180.db2.gz CAOSQPRZMJEKFO-LBPRGKRZSA-N 1 3 323.403 2.107 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC2CCC2)C1 ZINC001422250346 1172437068 /nfs/dbraw/zinc/43/70/68/1172437068.db2.gz SKOCNXIZLPGTBK-SJORKVTESA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC2CCC2)C1 ZINC001422250346 1172437072 /nfs/dbraw/zinc/43/70/72/1172437072.db2.gz SKOCNXIZLPGTBK-SJORKVTESA-N 1 3 307.482 2.050 20 0 DEADHO C[C@@H](NC(=O)C(C)(C)N1CCCCC1)C1C[NH+](CCCF)C1 ZINC001422722327 1172830105 /nfs/dbraw/zinc/83/01/05/1172830105.db2.gz AGCZZUFPDGRISB-CQSZACIVSA-N 1 3 313.461 2.047 20 0 DEADHO Cc1nc(CCNC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)n[nH]1 ZINC001423107379 1173080061 /nfs/dbraw/zinc/08/00/61/1173080061.db2.gz YPGMHSFZBNVFRF-BBRMVZONSA-N 1 3 305.470 2.288 20 0 DEADHO Cc1n[nH]c(CCNC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)n1 ZINC001423107379 1173080069 /nfs/dbraw/zinc/08/00/69/1173080069.db2.gz YPGMHSFZBNVFRF-BBRMVZONSA-N 1 3 305.470 2.288 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)CCN1C(=O)CN1CCCC1 ZINC001423451652 1173357203 /nfs/dbraw/zinc/35/72/03/1173357203.db2.gz LJQFJUGDRPAWEG-STQMWFEESA-N 1 3 321.387 2.004 20 0 DEADHO C[C@H](F)CC[NH2+]C1(CNC(=O)CN(C)CC(C)(C)C)CCC1 ZINC001424212532 1173702754 /nfs/dbraw/zinc/70/27/54/1173702754.db2.gz JQUJFPCDMCZAME-AWEZNQCLSA-N 1 3 315.477 2.341 20 0 DEADHO C[C@@H](NCc1ccns1)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001424828393 1173967263 /nfs/dbraw/zinc/96/72/63/1173967263.db2.gz SZDAQDACRKVUMA-CHWSQXEVSA-N 1 3 324.494 2.000 20 0 DEADHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)N(C)Cc1ccccc1 ZINC001424958099 1174059003 /nfs/dbraw/zinc/05/90/03/1174059003.db2.gz AXCQFRPSJYMNPA-FUHWJXTLSA-N 1 3 317.477 2.498 20 0 DEADHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)N(C)Cc1ccccc1 ZINC001424958099 1174059009 /nfs/dbraw/zinc/05/90/09/1174059009.db2.gz AXCQFRPSJYMNPA-FUHWJXTLSA-N 1 3 317.477 2.498 20 0 DEADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)Cc1ccc(Cl)cc1 ZINC001425066414 1174160017 /nfs/dbraw/zinc/16/00/17/1174160017.db2.gz HDVWFFBGQJHJSO-ZFWWWQNUSA-N 1 3 323.868 2.228 20 0 DEADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)Cc1ccc(Cl)cc1 ZINC001425066414 1174160021 /nfs/dbraw/zinc/16/00/21/1174160021.db2.gz HDVWFFBGQJHJSO-ZFWWWQNUSA-N 1 3 323.868 2.228 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCc2ccccc2)C[C@@H]1C ZINC001425911442 1174509586 /nfs/dbraw/zinc/50/95/86/1174509586.db2.gz KFDZFYPSIDKIAA-FUHWJXTLSA-N 1 3 317.477 2.150 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001426261906 1174672363 /nfs/dbraw/zinc/67/23/63/1174672363.db2.gz LZRZVIJGQGYARX-UHFFFAOYSA-N 1 3 316.449 2.031 20 0 DEADHO COC(=O)c1cnc(CC[NH2+]C[C@@H](N)CCC(C)(C)C)s1 ZINC001578882480 1177042960 /nfs/dbraw/zinc/04/29/60/1177042960.db2.gz JBAHAEQIWYDSAX-NSHDSACASA-N 1 3 313.467 2.215 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H]3CCC[C@]4(CCOC4)O3)CC[C@H]21 ZINC001434460973 1178597425 /nfs/dbraw/zinc/59/74/25/1178597425.db2.gz WLOWCJUSMHBVOF-XMTFNYHQSA-N 1 3 308.466 2.131 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C[C@@H]3CCC[C@]4(CCOC4)O3)CC[C@H]21 ZINC001434460973 1178597437 /nfs/dbraw/zinc/59/74/37/1178597437.db2.gz WLOWCJUSMHBVOF-XMTFNYHQSA-N 1 3 308.466 2.131 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001436893090 1179293739 /nfs/dbraw/zinc/29/37/39/1179293739.db2.gz AFBRBTKJOXPYFJ-QAQDUYKDSA-N 1 3 315.461 2.216 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001437320234 1179719366 /nfs/dbraw/zinc/71/93/66/1179719366.db2.gz AKGMQJLGUGWJHZ-INIZCTEOSA-N 1 3 321.440 2.104 20 0 DEADHO CC[N@H+](CCNC(=O)CN(C)C1CCC1)Cc1ccccc1C ZINC001437598261 1179859360 /nfs/dbraw/zinc/85/93/60/1179859360.db2.gz OFHMQBWBFFLWKY-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO CC[N@@H+](CCNC(=O)CN(C)C1CCC1)Cc1ccccc1C ZINC001437598261 1179859363 /nfs/dbraw/zinc/85/93/63/1179859363.db2.gz OFHMQBWBFFLWKY-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001437735115 1179922626 /nfs/dbraw/zinc/92/26/26/1179922626.db2.gz CTJXUJAMPRGXKK-SFHVURJKSA-N 1 3 317.477 2.275 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001437735115 1179922638 /nfs/dbraw/zinc/92/26/38/1179922638.db2.gz CTJXUJAMPRGXKK-SFHVURJKSA-N 1 3 317.477 2.275 20 0 DEADHO CN(CC(=O)N1CC[C@H](C[N@H+](C)CCCF)C1)CC(C)(C)C ZINC001437990782 1180143607 /nfs/dbraw/zinc/14/36/07/1180143607.db2.gz UIBIJCAGUUVNJL-OAHLLOKOSA-N 1 3 315.477 2.104 20 0 DEADHO CN(CC(=O)N1CC[C@H](C[N@@H+](C)CCCF)C1)CC(C)(C)C ZINC001437990782 1180143617 /nfs/dbraw/zinc/14/36/17/1180143617.db2.gz UIBIJCAGUUVNJL-OAHLLOKOSA-N 1 3 315.477 2.104 20 0 DEADHO CC(C)CCC[NH+]1CC(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001438143853 1180216039 /nfs/dbraw/zinc/21/60/39/1180216039.db2.gz MOSDDXKEBKVENA-UHFFFAOYSA-N 1 3 311.514 2.449 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccsc1)N(C)C ZINC001438520000 1180533122 /nfs/dbraw/zinc/53/31/22/1180533122.db2.gz NQWACHXPNPQIIX-UKRRQHHQSA-N 1 3 311.495 2.176 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001438681454 1180753155 /nfs/dbraw/zinc/75/31/55/1180753155.db2.gz JXYUGAZLRKZZKZ-WBVHZDCISA-N 1 3 317.477 2.273 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC2CCCC2)C1 ZINC001438942909 1180860756 /nfs/dbraw/zinc/86/07/56/1180860756.db2.gz AQJBUCPXMRZCLA-QZTJIDSGSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC2CCCC2)C1 ZINC001438942909 1180860757 /nfs/dbraw/zinc/86/07/57/1180860757.db2.gz AQJBUCPXMRZCLA-QZTJIDSGSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)c1cccc(F)c1)N(C)C ZINC001439154477 1180898930 /nfs/dbraw/zinc/89/89/30/1180898930.db2.gz PDODHCPDPJJQJW-WWGRRREGSA-N 1 3 309.429 2.321 20 0 DEADHO CCc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001439224226 1180947916 /nfs/dbraw/zinc/94/79/16/1180947916.db2.gz QAEKIDJFUIQBSL-YJBOKZPZSA-N 1 3 319.493 2.430 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCCC(F)(F)C1)N(C)C ZINC001439251320 1180967239 /nfs/dbraw/zinc/96/72/39/1180967239.db2.gz FXKPHGRMNTZMRC-MJBXVCDLSA-N 1 3 319.440 2.246 20 0 DEADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCN2CCC2CCCCC2)C1 ZINC001439566054 1181147433 /nfs/dbraw/zinc/14/74/33/1181147433.db2.gz AFEJEVSRKSFWHD-ZWKOTPCHSA-N 1 3 321.509 2.489 20 0 DEADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CCN2CCC2CCCCC2)C1 ZINC001439566054 1181147435 /nfs/dbraw/zinc/14/74/35/1181147435.db2.gz AFEJEVSRKSFWHD-ZWKOTPCHSA-N 1 3 321.509 2.489 20 0 DEADHO Cc1cccc(C[NH2+]C2(CNC(=O)C3(N(C)C)CCC3)CC2)c1 ZINC001439616282 1181170717 /nfs/dbraw/zinc/17/07/17/1181170717.db2.gz TWNRHHUULWLKSW-UHFFFAOYSA-N 1 3 315.461 2.218 20 0 DEADHO C[C@H](C(=O)NCC1(NC/C=C\Cl)CC1)[NH+]1CCCCCC1 ZINC001439661299 1181189802 /nfs/dbraw/zinc/18/98/02/1181189802.db2.gz YKCAGYLMSBCDRI-DEBLGDTFSA-N 1 3 313.873 2.242 20 0 DEADHO CC[N@H+](C)CCC(=O)NC1(C)CCN(CCC(F)(F)F)CC1 ZINC001439806607 1181243761 /nfs/dbraw/zinc/24/37/61/1181243761.db2.gz HNONJTGYUCSVGE-UHFFFAOYSA-N 1 3 323.403 2.251 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC1(C)CCN(CCC(F)(F)F)CC1 ZINC001439806607 1181243766 /nfs/dbraw/zinc/24/37/66/1181243766.db2.gz HNONJTGYUCSVGE-UHFFFAOYSA-N 1 3 323.403 2.251 20 0 DEADHO Cc1cc(CN2CC[C@@](C)(NC(=O)CC[NH+](C)C)C2)c(C)s1 ZINC001439858601 1181276659 /nfs/dbraw/zinc/27/66/59/1181276659.db2.gz YWNKMVGSWUNGJV-QGZVFWFLSA-N 1 3 323.506 2.397 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@]1(C)CCC[N@@H+](CC[C@@H](C)F)C1 ZINC001439948522 1181325716 /nfs/dbraw/zinc/32/57/16/1181325716.db2.gz MOKIFQVEYYMYDK-NVXWUHKLSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@]1(C)CCC[N@H+](CC[C@@H](C)F)C1 ZINC001439948522 1181325722 /nfs/dbraw/zinc/32/57/22/1181325722.db2.gz MOKIFQVEYYMYDK-NVXWUHKLSA-N 1 3 315.477 2.293 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001440301751 1181434547 /nfs/dbraw/zinc/43/45/47/1181434547.db2.gz HKPKZOHTEIUWRM-YQQAZPJKSA-N 1 3 321.509 2.249 20 0 DEADHO CC1CC(C[N@H+](C)CCCN(C)C(=O)CN2CC[C@@H](C)C2)C1 ZINC001440464541 1181533342 /nfs/dbraw/zinc/53/33/42/1181533342.db2.gz MDUREMMSINDACL-KLAILNCOSA-N 1 3 309.498 2.155 20 0 DEADHO CC1CC(C[N@@H+](C)CCCN(C)C(=O)CN2CC[C@@H](C)C2)C1 ZINC001440464541 1181533349 /nfs/dbraw/zinc/53/33/49/1181533349.db2.gz MDUREMMSINDACL-KLAILNCOSA-N 1 3 309.498 2.155 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC1CCCCC1 ZINC001440841689 1181720699 /nfs/dbraw/zinc/72/06/99/1181720699.db2.gz KFPGSTGEDAKVTC-CHWSQXEVSA-N 1 3 306.454 2.324 20 0 DEADHO Cc1ccc(CC[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)C(C)C)cc1 ZINC001440849335 1181727759 /nfs/dbraw/zinc/72/77/59/1181727759.db2.gz BYFHEQTXBWAXAU-SJORKVTESA-N 1 3 319.493 2.361 20 0 DEADHO C[C@H](CNC(=O)CC[NH+](C)C)N(C)Cc1ccccc1C1CC1 ZINC001440963520 1181802456 /nfs/dbraw/zinc/80/24/56/1181802456.db2.gz RGIQTFLLZWEOKH-OAHLLOKOSA-N 1 3 317.477 2.452 20 0 DEADHO CC(C)(C(=O)NC[C@H]([NH2+]CC1CCC1)C1CC1)N1CCCC1 ZINC001441228047 1181903908 /nfs/dbraw/zinc/90/39/08/1181903908.db2.gz ORQCXGPFEIWQHC-INIZCTEOSA-N 1 3 307.482 2.145 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C(C)(C)C ZINC001442138375 1182341661 /nfs/dbraw/zinc/34/16/61/1182341661.db2.gz COLRCDLQFUQPFX-ZIAGYGMSSA-N 1 3 315.477 2.339 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C1CC[NH+](CC[C@@H](C)F)CC1)N(C)C ZINC001442209431 1182368206 /nfs/dbraw/zinc/36/82/06/1182368206.db2.gz HBQVHKHJGXTTQY-FMKPAKJESA-N 1 3 315.477 2.291 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](C)CC1CC(C)(C)C1 ZINC001442620573 1182577582 /nfs/dbraw/zinc/57/75/82/1182577582.db2.gz OOEXJIMXVGWCSX-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](C)CC1CC(C)(C)C1 ZINC001442620573 1182577591 /nfs/dbraw/zinc/57/75/91/1182577591.db2.gz OOEXJIMXVGWCSX-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001444580029 1183466191 /nfs/dbraw/zinc/46/61/91/1183466191.db2.gz GLAQFFRDJHRTEN-WBVHZDCISA-N 1 3 303.450 2.026 20 0 DEADHO C[C@@H](C[NH2+]CC1CC1)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC001444722376 1183532178 /nfs/dbraw/zinc/53/21/78/1183532178.db2.gz NSVGCILDRLVTBL-AWEZNQCLSA-N 1 3 303.450 2.208 20 0 DEADHO C[C@@H](CNCc1cc2ccccc2o1)NC(=O)CCC[NH+](C)C ZINC001445604477 1183929306 /nfs/dbraw/zinc/92/93/06/1183929306.db2.gz IVEPKQDFVANJFP-AWEZNQCLSA-N 1 3 317.433 2.369 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cccc(C)c1 ZINC001445660928 1183958775 /nfs/dbraw/zinc/95/87/75/1183958775.db2.gz XQMJEFOVDFOCHG-WMZOPIPTSA-N 1 3 317.477 2.464 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC1CC1 ZINC001445820801 1184072544 /nfs/dbraw/zinc/07/25/44/1184072544.db2.gz VARUMQQJAJGSSQ-RDJZCZTQSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC1CC1 ZINC001445820801 1184072552 /nfs/dbraw/zinc/07/25/52/1184072552.db2.gz VARUMQQJAJGSSQ-RDJZCZTQSA-N 1 3 309.498 2.486 20 0 DEADHO C[NH+](C)CCC(=O)N[C@@]1(C)CCN(C/C=C/c2ccccc2)C1 ZINC001446553954 1184410328 /nfs/dbraw/zinc/41/03/28/1184410328.db2.gz DAEQEMGEGZVHBI-VQFGERMISA-N 1 3 315.461 2.232 20 0 DEADHO CC(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001447447372 1184778953 /nfs/dbraw/zinc/77/89/53/1184778953.db2.gz YAZWYJJUFOPBMF-SFHVURJKSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001447447372 1184778960 /nfs/dbraw/zinc/77/89/60/1184778960.db2.gz YAZWYJJUFOPBMF-SFHVURJKSA-N 1 3 309.498 2.297 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CCC(C)(C)C ZINC001447783407 1184872941 /nfs/dbraw/zinc/87/29/41/1184872941.db2.gz YGGXXUSVEMLKIO-HOTGVXAUSA-N 1 3 309.498 2.440 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CCC(C)(C)C ZINC001447783407 1184872946 /nfs/dbraw/zinc/87/29/46/1184872946.db2.gz YGGXXUSVEMLKIO-HOTGVXAUSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[N@H+](C)CC1CCC1 ZINC001448012752 1185022541 /nfs/dbraw/zinc/02/25/41/1185022541.db2.gz DJCMUMIEQDRKDP-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[N@@H+](C)CC1CCC1 ZINC001448012752 1185022551 /nfs/dbraw/zinc/02/25/51/1185022551.db2.gz DJCMUMIEQDRKDP-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CN(CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccsc2)C1)C1CCC1 ZINC001448499105 1185260234 /nfs/dbraw/zinc/26/02/34/1185260234.db2.gz CZPOOGFLLTUBQW-SHTZXODSSA-N 1 3 321.490 2.217 20 0 DEADHO C[C@H]1[C@H]([NH2+]CCC(C)(C)C)CCN1C(=O)CN(C)C1CCC1 ZINC001448970393 1185465320 /nfs/dbraw/zinc/46/53/20/1185465320.db2.gz BLFRRPBOODJAIG-GOEBONIOSA-N 1 3 309.498 2.486 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001449062648 1185513545 /nfs/dbraw/zinc/51/35/45/1185513545.db2.gz NLIIPQVFGRURBP-SJORKVTESA-N 1 3 309.498 2.393 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH2+]C(C)C)C1 ZINC001449369796 1185682647 /nfs/dbraw/zinc/68/26/47/1185682647.db2.gz PPDDYCYCSDHDGN-OLZOCXBDSA-N 1 3 323.403 2.106 20 0 DEADHO [NH3+]C1CC2(C1)CCN(c1ncccc1CN1CCCC1)CC2 ZINC001164388119 718802562 /nfs/dbraw/zinc/80/25/62/718802562.db2.gz TWVCXDLXQKGDDJ-UHFFFAOYSA-N 1 3 300.450 2.385 20 0 DEADHO NCc1cc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ncn1 ZINC001164626035 719071304 /nfs/dbraw/zinc/07/13/04/719071304.db2.gz NYNVQPFAUXRSQR-WMZOPIPTSA-N 1 3 323.444 2.036 20 0 DEADHO NCc1cc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ncn1 ZINC001164626035 719071311 /nfs/dbraw/zinc/07/13/11/719071311.db2.gz NYNVQPFAUXRSQR-WMZOPIPTSA-N 1 3 323.444 2.036 20 0 DEADHO Cc1cnc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)c(C[NH3+])c1 ZINC001164733862 720418296 /nfs/dbraw/zinc/41/82/96/720418296.db2.gz QIMYKUCHXVJMMH-ROUUACIJSA-N 1 3 323.444 2.097 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H](NCC=C(Cl)Cl)C1)[NH+](C)C ZINC001370548185 1149808995 /nfs/dbraw/zinc/80/89/95/1149808995.db2.gz MTDUZFOFWZSZJI-GVXVVHGQSA-N 1 3 322.280 2.128 20 0 DEADHO CCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001407258842 1165070560 /nfs/dbraw/zinc/07/05/60/1165070560.db2.gz NGTWVSWEDNQQHI-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001408147508 1165498931 /nfs/dbraw/zinc/49/89/31/1165498931.db2.gz UXJOWMBNDPTDGW-HZPDHXFCSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001408147508 1165498939 /nfs/dbraw/zinc/49/89/39/1165498939.db2.gz UXJOWMBNDPTDGW-HZPDHXFCSA-N 1 3 311.514 2.445 20 0 DEADHO CC1CCC([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)CC1 ZINC001168215563 780476064 /nfs/dbraw/zinc/47/60/64/780476064.db2.gz SFEZGBFEBFSSSE-OAGCAAQDSA-N 1 3 317.481 2.251 20 0 DEADHO CC1CCC([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)CC1 ZINC001168215563 780476067 /nfs/dbraw/zinc/47/60/67/780476067.db2.gz SFEZGBFEBFSSSE-OAGCAAQDSA-N 1 3 317.481 2.251 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCC2CC2)[C@H](C)C1 ZINC001106336679 782659942 /nfs/dbraw/zinc/65/99/42/782659942.db2.gz ZGBKRUVBOKNSBS-GDBMZVCRSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCCC(C)C)[C@H](C)C1)N(C)C ZINC001106674462 782844484 /nfs/dbraw/zinc/84/44/84/782844484.db2.gz VXLPIQQDOQFZEV-ZACQAIPSSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001106672321 782845176 /nfs/dbraw/zinc/84/51/76/782845176.db2.gz QDESBJMLWSUMDY-IAGOWNOFSA-N 1 3 323.525 2.449 20 0 DEADHO CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)CC(C)(C)C1 ZINC001089381814 783060874 /nfs/dbraw/zinc/06/08/74/783060874.db2.gz OOLRJJRLFJMCIP-HZPDHXFCSA-N 1 3 309.498 2.486 20 0 DEADHO CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)CC(C)(C)C1 ZINC001089381814 783060876 /nfs/dbraw/zinc/06/08/76/783060876.db2.gz OOLRJJRLFJMCIP-HZPDHXFCSA-N 1 3 309.498 2.486 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC)CC(C)(C)C1 ZINC001089401361 783069684 /nfs/dbraw/zinc/06/96/84/783069684.db2.gz SGPVJJQRHRBRHJ-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC)CC(C)(C)C1 ZINC001089401361 783069687 /nfs/dbraw/zinc/06/96/87/783069687.db2.gz SGPVJJQRHRBRHJ-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](NC(=O)CN2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493411 783159920 /nfs/dbraw/zinc/15/99/20/783159920.db2.gz WNTQRSPSOMESRH-CVEARBPZSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[N@H+]1CC[C@H](NC(=O)CN2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493411 783159925 /nfs/dbraw/zinc/15/99/25/783159925.db2.gz WNTQRSPSOMESRH-CVEARBPZSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](CCC(C)(C)C)C2)N(C)C ZINC001072991428 790360607 /nfs/dbraw/zinc/36/06/07/790360607.db2.gz VGJVVVPZAKFLBV-HNNXBMFYSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CCC(C)(C)C)C2)N(C)C ZINC001072991428 790360621 /nfs/dbraw/zinc/36/06/21/790360621.db2.gz VGJVVVPZAKFLBV-HNNXBMFYSA-N 1 3 309.498 2.297 20 0 DEADHO CN(C)[C@@H](C(=O)NCC1CC([NH2+]CC2=CCCCC2)C1)C1CC1 ZINC001100407704 776615667 /nfs/dbraw/zinc/61/56/67/776615667.db2.gz GMKZHNXSRAEHPZ-VMWRSERWSA-N 1 3 319.493 2.311 20 0 DEADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CC1CCC1 ZINC001104292296 776951098 /nfs/dbraw/zinc/95/10/98/776951098.db2.gz SZVLDPUKENXVCX-OLMNPRSZSA-N 1 3 321.509 2.201 20 0 DEADHO CCN(CC)CC(=O)NCCC1(C[NH2+]Cc2ccsc2)CC1 ZINC001167480700 777151601 /nfs/dbraw/zinc/15/16/01/777151601.db2.gz RGXOWOHWTPPGPM-UHFFFAOYSA-N 1 3 323.506 2.466 20 0 DEADHO CC/C=C/CC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001100647165 777570533 /nfs/dbraw/zinc/57/05/33/777570533.db2.gz HDCIFOZIYKTKKN-HVDFMVDOSA-N 1 3 309.498 2.413 20 0 DEADHO CC/C=C\CC[NH2+]C1CC(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001100678309 777688934 /nfs/dbraw/zinc/68/89/34/777688934.db2.gz HBGZATLBAQQHFT-BFJBPPDHSA-N 1 3 307.482 2.169 20 0 DEADHO CC[C@@H](C)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105064528 778320235 /nfs/dbraw/zinc/32/02/35/778320235.db2.gz USYHBXUMJYKERO-BRWVUGGUSA-N 1 3 311.514 2.447 20 0 DEADHO Cc1ccc(-c2ccc(NC(=N)NCCCC[NH3+])nn2)s1 ZINC001167880302 778743481 /nfs/dbraw/zinc/74/34/81/778743481.db2.gz GZLLEWYMCMFHTF-UHFFFAOYSA-N 1 3 304.423 2.189 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CCC(C)C)C2 ZINC001073461645 790669381 /nfs/dbraw/zinc/66/93/81/790669381.db2.gz HGAIKBOZFIHGTP-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CCC(C)C)C2 ZINC001073461645 790669383 /nfs/dbraw/zinc/66/93/83/790669383.db2.gz HGAIKBOZFIHGTP-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC(C)C)C2 ZINC001073461575 790669784 /nfs/dbraw/zinc/66/97/84/790669784.db2.gz GBGNTSQCMWUOHB-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(C)C)C2 ZINC001073461575 790669790 /nfs/dbraw/zinc/66/97/90/790669790.db2.gz GBGNTSQCMWUOHB-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO COC(=O)[C@@H]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167968608 779123423 /nfs/dbraw/zinc/12/34/23/779123423.db2.gz TWRZAHISQVDULA-OZSLIKBDSA-N 1 3 306.450 2.323 20 0 DEADHO COC(=O)[C@@H]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167968608 779123429 /nfs/dbraw/zinc/12/34/29/779123429.db2.gz TWRZAHISQVDULA-OZSLIKBDSA-N 1 3 306.450 2.323 20 0 DEADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](CCC3CC3)CC[C@@H]2C1)C1CCC1 ZINC001087994865 779621084 /nfs/dbraw/zinc/62/10/84/779621084.db2.gz HNGSTTCPLLUTOR-SJORKVTESA-N 1 3 319.493 2.051 20 0 DEADHO CN(CC(=O)N1C[C@@H]2C[N@H+](CCC3CC3)CC[C@@H]2C1)C1CCC1 ZINC001087994865 779621088 /nfs/dbraw/zinc/62/10/88/779621088.db2.gz HNGSTTCPLLUTOR-SJORKVTESA-N 1 3 319.493 2.051 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C1 ZINC001087995069 779621406 /nfs/dbraw/zinc/62/14/06/779621406.db2.gz QPXJHNRXOGXNGM-SJORKVTESA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C1 ZINC001087995069 779621410 /nfs/dbraw/zinc/62/14/10/779621410.db2.gz QPXJHNRXOGXNGM-SJORKVTESA-N 1 3 321.509 2.297 20 0 DEADHO CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001088130162 779718143 /nfs/dbraw/zinc/71/81/43/779718143.db2.gz YRRJGSZTYVRPQA-IXDOHACOSA-N 1 3 307.482 2.050 20 0 DEADHO CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001088130162 779718147 /nfs/dbraw/zinc/71/81/47/779718147.db2.gz YRRJGSZTYVRPQA-IXDOHACOSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@H](C(=O)N1CCC([N@H+](C)CC2CC(C)C2)CC1)N(C)C ZINC000985494084 779866290 /nfs/dbraw/zinc/86/62/90/779866290.db2.gz ABJTUNMYQZPIIO-VMBOVVBDSA-N 1 3 309.498 2.296 20 0 DEADHO CC[C@H](C(=O)N1CCC([N@@H+](C)CC2CC(C)C2)CC1)N(C)C ZINC000985494084 779866296 /nfs/dbraw/zinc/86/62/96/779866296.db2.gz ABJTUNMYQZPIIO-VMBOVVBDSA-N 1 3 309.498 2.296 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(CC=C(C)C)[C@@H]2C)CC[N@@H+]1C ZINC001088579372 780536723 /nfs/dbraw/zinc/53/67/23/780536723.db2.gz CTUVAIURXOQZSX-LTIDMASMSA-N 1 3 307.482 2.262 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(CC=C(C)C)[C@@H]2C)CC[N@H+]1C ZINC001088579372 780536724 /nfs/dbraw/zinc/53/67/24/780536724.db2.gz CTUVAIURXOQZSX-LTIDMASMSA-N 1 3 307.482 2.262 20 0 DEADHO O[C@H]1CCc2ccccc2[C@@H]1[NH2+]C1CCN(CC2CC2)CC1 ZINC001168359928 780950507 /nfs/dbraw/zinc/95/05/07/780950507.db2.gz IGBGQZJKZLYCRH-OALUTQOASA-N 1 3 300.446 2.499 20 0 DEADHO O[C@H](C[NH2+]C1CCN(CC2CC2)CC1)c1ccc(F)c(F)c1 ZINC001168360293 780962708 /nfs/dbraw/zinc/96/27/08/780962708.db2.gz MVXXVJWWLDKODV-QGZVFWFLSA-N 1 3 310.388 2.462 20 0 DEADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)C[C@@H](C)c1ccccc1 ZINC001144432328 790904967 /nfs/dbraw/zinc/90/49/67/790904967.db2.gz OBRFBYCKVDSRND-CQSZACIVSA-N 1 3 304.438 2.244 20 0 DEADHO O=C(N[C@@H]1CCCC[C@H]1[NH2+]CC1CC1)[C@@H](C1CC1)N1CCCC1 ZINC001085284845 783618741 /nfs/dbraw/zinc/61/87/41/783618741.db2.gz OQNGGPOTVWPOAS-KZNAEPCWSA-N 1 3 319.493 2.288 20 0 DEADHO CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001085820390 784109915 /nfs/dbraw/zinc/10/99/15/784109915.db2.gz YSNHRAXEPLNECD-GOSISDBHSA-N 1 3 317.477 2.347 20 0 DEADHO CCCN1CC[C@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085917617 784211964 /nfs/dbraw/zinc/21/19/64/784211964.db2.gz FIYCYLWLOOTQNX-KRWDZBQOSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCCC[C@@H]2C[N@H+](C)CC2CCC2)C1 ZINC001074064870 791034449 /nfs/dbraw/zinc/03/44/49/791034449.db2.gz SCEBQBVCGHFKCW-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCCC[C@@H]2C[N@@H+](C)CC2CCC2)C1 ZINC001074064870 791034457 /nfs/dbraw/zinc/03/44/57/791034457.db2.gz SCEBQBVCGHFKCW-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H](NCc2ccsc2)C1 ZINC000968969994 784673842 /nfs/dbraw/zinc/67/38/42/784673842.db2.gz AILLEQGQOFMTGZ-CVEARBPZSA-N 1 3 321.490 2.313 20 0 DEADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H](NCc2ccsc2)C1 ZINC000968969994 784673849 /nfs/dbraw/zinc/67/38/49/784673849.db2.gz AILLEQGQOFMTGZ-CVEARBPZSA-N 1 3 321.490 2.313 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2cc(C)ccc2C)C1)N(C)C ZINC000969074921 784715828 /nfs/dbraw/zinc/71/58/28/784715828.db2.gz ZQJXDFPHPQEORU-QZTJIDSGSA-N 1 3 317.477 2.334 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CCCN2CCCC2)CN1C(=O)OC(C)(C)C ZINC001168799203 784920682 /nfs/dbraw/zinc/92/06/82/784920682.db2.gz BOVVPGCIZNKPHL-HUUCEWRRSA-N 1 3 311.470 2.460 20 0 DEADHO C[C@@H]1C[C@@H](NCCC[NH+]2CCCC2)CN1C(=O)OC(C)(C)C ZINC001168799203 784920670 /nfs/dbraw/zinc/92/06/70/784920670.db2.gz BOVVPGCIZNKPHL-HUUCEWRRSA-N 1 3 311.470 2.460 20 0 DEADHO CCOC(=O)[C@@H]1CC[C@H](N2C(C)(C)CC([NH3+])CC2(C)C)CO1 ZINC001169317013 785130828 /nfs/dbraw/zinc/13/08/28/785130828.db2.gz AFBUBTXQSBXSDH-KBPBESRZSA-N 1 3 312.454 2.077 20 0 DEADHO CCN(CC)C(=O)C[C@@H](C)N1CCN(c2cc[nH+]cc2C)CC1 ZINC001169490451 785224685 /nfs/dbraw/zinc/22/46/85/785224685.db2.gz SCYGBHHLWVLWAV-MRXNPFEDSA-N 1 3 318.465 2.159 20 0 DEADHO CC(C)=CCN1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001008761141 785297522 /nfs/dbraw/zinc/29/75/22/785297522.db2.gz MSEVBMLFDLBFOX-KRWDZBQOSA-N 1 3 307.482 2.265 20 0 DEADHO Cc1ccc(CN2CCC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001009506228 785467932 /nfs/dbraw/zinc/46/79/32/785467932.db2.gz CXABQRHEMRSFMO-ZWKOTPCHSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccc(CN2CCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001009506228 785467937 /nfs/dbraw/zinc/46/79/37/785467937.db2.gz CXABQRHEMRSFMO-ZWKOTPCHSA-N 1 3 315.461 2.027 20 0 DEADHO CC(C)[NH2+]C1CC(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001091376175 791126312 /nfs/dbraw/zinc/12/63/12/791126312.db2.gz OIRXRBMBOAEECC-UHFFFAOYSA-N 1 3 303.450 2.255 20 0 DEADHO CC[C@@H](F)C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001171254303 791149886 /nfs/dbraw/zinc/14/98/86/791149886.db2.gz QPYCGQQSWKEIJR-HUUCEWRRSA-N 1 3 315.477 2.483 20 0 DEADHO CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001109560738 785927626 /nfs/dbraw/zinc/92/76/26/785927626.db2.gz PDMGYVRAZKIFGW-PMPSAXMXSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC1)N(C)C ZINC001109688242 785988491 /nfs/dbraw/zinc/98/84/91/785988491.db2.gz DRJLYKLXOASPPN-LTIDMASMSA-N 1 3 307.482 2.094 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1)N(C)C ZINC001109688242 785988496 /nfs/dbraw/zinc/98/84/96/785988496.db2.gz DRJLYKLXOASPPN-LTIDMASMSA-N 1 3 307.482 2.094 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(C)C)N(CC)CC ZINC001109714512 785996017 /nfs/dbraw/zinc/99/60/17/785996017.db2.gz NGUORNZLQSAKMZ-TWMKSMIVSA-N 1 3 309.498 2.484 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(C)C)N(CC)CC ZINC001109714512 785996021 /nfs/dbraw/zinc/99/60/21/785996021.db2.gz NGUORNZLQSAKMZ-TWMKSMIVSA-N 1 3 309.498 2.484 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001014475149 786596664 /nfs/dbraw/zinc/59/66/64/786596664.db2.gz KRRJJLGEKCKWFY-HYVNUMGLSA-N 1 3 305.466 2.018 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(CC3=CCCCC3)C2)CC[N@H+]1C ZINC001014475149 786596667 /nfs/dbraw/zinc/59/66/67/786596667.db2.gz KRRJJLGEKCKWFY-HYVNUMGLSA-N 1 3 305.466 2.018 20 0 DEADHO CN1CC(CNc2ccc3c(c2)ncn3[C@@H]2CCC[NH2+]CC2)C1 ZINC001170254833 786888842 /nfs/dbraw/zinc/88/88/42/786888842.db2.gz UUSNNOTWNFVFLO-MRXNPFEDSA-N 1 3 313.449 2.324 20 0 DEADHO CCc1ccc(CC[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001129950515 787262217 /nfs/dbraw/zinc/26/22/17/787262217.db2.gz VULOYYZTEMSVDI-SFHVURJKSA-N 1 3 319.493 2.084 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[NH2+][C@H](C)c1cccc(F)c1)N(C)C ZINC001129953651 787263451 /nfs/dbraw/zinc/26/34/51/787263451.db2.gz MXTHFPRLXGHLDL-CJNGLKHVSA-N 1 3 309.429 2.179 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+][C@@H](CC)c1ccc(F)cc1)N(C)C ZINC001130205752 787315742 /nfs/dbraw/zinc/31/57/42/787315742.db2.gz VHLZBOGVXGIFMR-JKSUJKDBSA-N 1 3 309.429 2.323 20 0 DEADHO CC(C)C1=[NH+]CCc2ccc(N[C@H](C)[C@@H]3CNCCO3)cc21 ZINC001170574649 787665432 /nfs/dbraw/zinc/66/54/32/787665432.db2.gz NGVZOVDFXVZLFY-DYVFJYSZSA-N 1 3 301.434 2.477 20 0 DEADHO C[C@H](NCCNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1F ZINC001132286957 788011254 /nfs/dbraw/zinc/01/12/54/788011254.db2.gz OWKGWVJBDSGYKA-AWEZNQCLSA-N 1 3 321.440 2.467 20 0 DEADHO NCc1cc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)ccn1 ZINC001170626787 788150513 /nfs/dbraw/zinc/15/05/13/788150513.db2.gz KCSMZSQAWCPHFO-UHFFFAOYSA-N 1 3 300.450 2.274 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC2CCC2)C1 ZINC001133178811 788307815 /nfs/dbraw/zinc/30/78/15/788307815.db2.gz XNNPALVCJXNPTP-NVXWUHKLSA-N 1 3 309.498 2.203 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001133182140 788308695 /nfs/dbraw/zinc/30/86/95/788308695.db2.gz OLQLYOHIYVANNW-VKGGURKZSA-N 1 3 315.889 2.155 20 0 DEADHO C[NH+](C)CCC(=O)NCCNCc1ccc(Cl)c(Cl)c1 ZINC001133291245 788349685 /nfs/dbraw/zinc/34/96/85/788349685.db2.gz MUSKHXCHOSNARI-UHFFFAOYSA-N 1 3 318.248 2.151 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCC2CC2)C1 ZINC001133346329 788375720 /nfs/dbraw/zinc/37/57/20/788375720.db2.gz LHXNKZDYSWPGRM-WBVHZDCISA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@H](C(=O)NCC[NH2+][C@H]1CCc2c1cccc2F)N(C)C ZINC001133433713 788428846 /nfs/dbraw/zinc/42/88/46/788428846.db2.gz AOWUXKZYLKIXQX-DLBZAZTESA-N 1 3 321.440 2.105 20 0 DEADHO CC(C)[C@H](C(=O)NCC[NH2+][C@H](C)c1ccc(F)cc1)N(C)C ZINC001133434435 788429117 /nfs/dbraw/zinc/42/91/17/788429117.db2.gz QMDWWHYKLFMNGZ-CZUORRHYSA-N 1 3 309.429 2.179 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001133823543 788620266 /nfs/dbraw/zinc/62/02/66/788620266.db2.gz IVIRVUSERZLLDO-ZIAGYGMSSA-N 1 3 317.424 2.002 20 0 DEADHO C[C@@H](NCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccccc1Cl ZINC001133851047 788633011 /nfs/dbraw/zinc/63/30/11/788633011.db2.gz VPKVILAHGBYJPJ-ZIAGYGMSSA-N 1 3 323.868 2.449 20 0 DEADHO C[C@@H](NCCNC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccccc1Cl ZINC001133851047 788633018 /nfs/dbraw/zinc/63/30/18/788633018.db2.gz VPKVILAHGBYJPJ-ZIAGYGMSSA-N 1 3 323.868 2.449 20 0 DEADHO Cc1cc(Cl)ccc1C[NH2+]CCNC(=O)CN1CC[C@@H](C)C1 ZINC001133853403 788634596 /nfs/dbraw/zinc/63/45/96/788634596.db2.gz ILTMLGGCXZQIQV-CYBMUJFWSA-N 1 3 323.868 2.196 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]CC/C=C\c2ccccc2)C1 ZINC001133845869 788637996 /nfs/dbraw/zinc/63/79/96/788637996.db2.gz OYWDHTDIGGWMBV-VWTAQGJOSA-N 1 3 315.461 2.138 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+][C@@H](C)c1cccc(Cl)c1)N(C)C ZINC001133963736 788693275 /nfs/dbraw/zinc/69/32/75/788693275.db2.gz YKRDDBQXZXHHEL-WFASDCNBSA-N 1 3 311.857 2.447 20 0 DEADHO CC[C@@H]([NH2+]CCNC(=O)[C@H](CC)N(C)C)c1ccc(F)cc1 ZINC001133966040 788696733 /nfs/dbraw/zinc/69/67/33/788696733.db2.gz VHLZBOGVXGIFMR-CVEARBPZSA-N 1 3 309.429 2.323 20 0 DEADHO CC[C@H]([NH2+]CCNC(=O)[C@H](CC)N(C)C)c1ccc(F)cc1 ZINC001133966041 788696823 /nfs/dbraw/zinc/69/68/23/788696823.db2.gz VHLZBOGVXGIFMR-HOTGVXAUSA-N 1 3 309.429 2.323 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+]Cc1cccc(OC(C)C)c1 ZINC001135508716 789369728 /nfs/dbraw/zinc/36/97/28/789369728.db2.gz XIIDHKWSEFXPIS-UHFFFAOYSA-N 1 3 321.465 2.021 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCCCOC ZINC001135705322 789459823 /nfs/dbraw/zinc/45/98/23/789459823.db2.gz AEFBQFNSHSHNTM-JKSUJKDBSA-N 1 3 315.502 2.018 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cnccc1C ZINC001135743302 789475369 /nfs/dbraw/zinc/47/53/69/789475369.db2.gz IDMLXJFAYZIGQT-JKSUJKDBSA-N 1 3 320.481 2.105 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCCCF ZINC001135747426 789476584 /nfs/dbraw/zinc/47/65/84/789476584.db2.gz QDYXEWCGTDFGJZ-GJZGRUSLSA-N 1 3 303.466 2.341 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccsc1 ZINC001135979256 789581436 /nfs/dbraw/zinc/58/14/36/789581436.db2.gz DDTYYMCVTJYOJT-ZIAGYGMSSA-N 1 3 311.495 2.463 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)NCc1ocnc1C ZINC001135995340 789589684 /nfs/dbraw/zinc/58/96/84/789589684.db2.gz CXKVGKXGGWGPFN-UONOGXRCSA-N 1 3 324.469 2.088 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)NCc1ocnc1C ZINC001135995340 789589691 /nfs/dbraw/zinc/58/96/91/789589691.db2.gz CXKVGKXGGWGPFN-UONOGXRCSA-N 1 3 324.469 2.088 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCCC1 ZINC001136031456 789600941 /nfs/dbraw/zinc/60/09/41/789600941.db2.gz LLYSIHNGZVTEDH-QWHCGFSZSA-N 1 3 306.454 2.324 20 0 DEADHO CC(C)=CCN1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001071796930 789923023 /nfs/dbraw/zinc/92/30/23/789923023.db2.gz ZPXVUYLOOKSIDZ-WBVHZDCISA-N 1 3 307.482 2.264 20 0 DEADHO CC[N@@H+]1C[C@H](NC(=O)c2ccccc2CN(C)C)CC[C@@H]1C ZINC001072099452 790052144 /nfs/dbraw/zinc/05/21/44/790052144.db2.gz QYFAHDIBJJJBQD-GOEBONIOSA-N 1 3 303.450 2.351 20 0 DEADHO CC[N@H+]1C[C@H](NC(=O)c2ccccc2CN(C)C)CC[C@@H]1C ZINC001072099452 790052147 /nfs/dbraw/zinc/05/21/47/790052147.db2.gz QYFAHDIBJJJBQD-GOEBONIOSA-N 1 3 303.450 2.351 20 0 DEADHO CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2CN(C)C)CC[C@H]1C ZINC001072099454 790052157 /nfs/dbraw/zinc/05/21/57/790052157.db2.gz QYFAHDIBJJJBQD-ZBFHGGJFSA-N 1 3 303.450 2.351 20 0 DEADHO CC[N@H+]1C[C@@H](NC(=O)c2ccccc2CN(C)C)CC[C@H]1C ZINC001072099454 790052161 /nfs/dbraw/zinc/05/21/61/790052161.db2.gz QYFAHDIBJJJBQD-ZBFHGGJFSA-N 1 3 303.450 2.351 20 0 DEADHO Cc1noc(C)c1C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146595007 791319914 /nfs/dbraw/zinc/31/99/14/791319914.db2.gz WEPDENJUXFOJDT-STQMWFEESA-N 1 3 324.469 2.005 20 0 DEADHO CCCCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146600833 791320770 /nfs/dbraw/zinc/32/07/70/791320770.db2.gz IORXXTJEWAPPIU-JKSUJKDBSA-N 1 3 315.502 2.016 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CC3CCCC3)[C@@H]2C)C1 ZINC001074878188 791363665 /nfs/dbraw/zinc/36/36/65/791363665.db2.gz FLOROOZELXFHAM-VYDXJSESSA-N 1 3 307.482 2.097 20 0 DEADHO CC/C=C\CC[N@@H+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001148278208 791728704 /nfs/dbraw/zinc/72/87/04/791728704.db2.gz ULPWGDUZAPTEHM-VGOKWCNXSA-N 1 3 319.493 2.361 20 0 DEADHO CC/C=C\CC[N@H+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001148278208 791728706 /nfs/dbraw/zinc/72/87/06/791728706.db2.gz ULPWGDUZAPTEHM-VGOKWCNXSA-N 1 3 319.493 2.361 20 0 DEADHO CC[C@@H](C)C[N@@H+]1C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@]2(C)C1 ZINC001091735553 791774351 /nfs/dbraw/zinc/77/43/51/791774351.db2.gz UZQJXBFMBYHVQY-NUJGCVRESA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@@H](C)C[N@H+]1C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@]2(C)C1 ZINC001091735553 791774354 /nfs/dbraw/zinc/77/43/54/791774354.db2.gz UZQJXBFMBYHVQY-NUJGCVRESA-N 1 3 321.509 2.297 20 0 DEADHO CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)N1CCCC1)C2 ZINC001111462470 791989134 /nfs/dbraw/zinc/98/91/34/791989134.db2.gz YSWLDWZPSJNJCX-NCOADZHNSA-N 1 3 307.482 2.238 20 0 DEADHO CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)N1CCCC1)C2 ZINC001111462470 791989140 /nfs/dbraw/zinc/98/91/40/791989140.db2.gz YSWLDWZPSJNJCX-NCOADZHNSA-N 1 3 307.482 2.238 20 0 DEADHO CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001098959231 792003247 /nfs/dbraw/zinc/00/32/47/792003247.db2.gz HNBKPDHDBNXDRK-SCTDSRPQSA-N 1 3 319.493 2.242 20 0 DEADHO CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001098959231 792003255 /nfs/dbraw/zinc/00/32/55/792003255.db2.gz HNBKPDHDBNXDRK-SCTDSRPQSA-N 1 3 319.493 2.242 20 0 DEADHO CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN(CC)CC)C1 ZINC001099539115 792235137 /nfs/dbraw/zinc/23/51/37/792235137.db2.gz ZGADNVYJQASZBF-XSLAGTTESA-N 1 3 321.509 2.297 20 0 DEADHO CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN(CC)CC)C1 ZINC001099539115 792235146 /nfs/dbraw/zinc/23/51/46/792235146.db2.gz ZGADNVYJQASZBF-XSLAGTTESA-N 1 3 321.509 2.297 20 0 DEADHO CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001093360688 792340180 /nfs/dbraw/zinc/34/01/80/792340180.db2.gz DCHNSSFXBZICFV-SJORKVTESA-N 1 3 319.493 2.194 20 0 DEADHO CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001093360688 792340190 /nfs/dbraw/zinc/34/01/90/792340190.db2.gz DCHNSSFXBZICFV-SJORKVTESA-N 1 3 319.493 2.194 20 0 DEADHO CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001093360685 792342020 /nfs/dbraw/zinc/34/20/20/792342020.db2.gz DCHNSSFXBZICFV-IRXDYDNUSA-N 1 3 319.493 2.194 20 0 DEADHO CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001093360685 792342031 /nfs/dbraw/zinc/34/20/31/792342031.db2.gz DCHNSSFXBZICFV-IRXDYDNUSA-N 1 3 319.493 2.194 20 0 DEADHO CCC(CC)C[NH2+]C1CC(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001100426352 792641386 /nfs/dbraw/zinc/64/13/86/792641386.db2.gz CXZQFOLIOFWPQH-JCYILVPMSA-N 1 3 311.514 2.493 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+][C@H](C)COC ZINC001171597066 793145511 /nfs/dbraw/zinc/14/55/11/793145511.db2.gz VDBXQHTZGGOJNO-HUUCEWRRSA-N 1 3 315.502 2.016 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101477514 793173345 /nfs/dbraw/zinc/17/33/45/793173345.db2.gz YCGCXYKEBNLZBY-UKPUQTQTSA-N 1 3 321.509 2.463 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101477514 793173349 /nfs/dbraw/zinc/17/33/49/793173349.db2.gz YCGCXYKEBNLZBY-UKPUQTQTSA-N 1 3 321.509 2.463 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1oc(C(C)C)nc1C ZINC001171757606 793197361 /nfs/dbraw/zinc/19/73/61/793197361.db2.gz KSPMJKRVCVWFEK-UHFFFAOYSA-N 1 3 324.469 2.044 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+][C@@H](C)c1ccccc1C ZINC001171763182 793199813 /nfs/dbraw/zinc/19/98/13/793199813.db2.gz UMTCQCASPZDJKW-INIZCTEOSA-N 1 3 305.466 2.494 20 0 DEADHO CCCC[NH+](CCCC)CCNC1C[C@@H]2COC[C@H](C1)N2C ZINC001172124419 793316043 /nfs/dbraw/zinc/31/60/43/793316043.db2.gz HGBWYSZHLNWHNU-AYHJJNSGSA-N 1 3 311.514 2.340 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCNC(=O)Nc1ccccc1)C2 ZINC001172107511 793331877 /nfs/dbraw/zinc/33/18/77/793331877.db2.gz YZMGBMHDXHTVLD-BJWYYQGGSA-N 1 3 316.449 2.413 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCNC(=O)Nc1ccccc1)C2 ZINC001172107511 793331886 /nfs/dbraw/zinc/33/18/86/793331886.db2.gz YZMGBMHDXHTVLD-BJWYYQGGSA-N 1 3 316.449 2.413 20 0 DEADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cncn1C1CCOCC1)C2 ZINC001172110860 793332200 /nfs/dbraw/zinc/33/22/00/793332200.db2.gz QDCIZKVUAUEQMA-XGBSXSJOSA-N 1 3 318.465 2.340 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H](CO)Cc1ccc(F)cc1F)C2 ZINC001172114624 793335196 /nfs/dbraw/zinc/33/51/96/793335196.db2.gz RIYHTDKRAVGLSK-WCXIOVBPSA-N 1 3 324.415 2.473 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H](CO)Cc1ccc(F)cc1F)C2 ZINC001172114624 793335200 /nfs/dbraw/zinc/33/52/00/793335200.db2.gz RIYHTDKRAVGLSK-WCXIOVBPSA-N 1 3 324.415 2.473 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCCC[C@@H]1C(=O)N1CCCC1)C2 ZINC001172123380 793343280 /nfs/dbraw/zinc/34/32/80/793343280.db2.gz FZUYTJAUUJGDFK-XMTFNYHQSA-N 1 3 319.493 2.479 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCCC[C@@H]1C(=O)N1CCCC1)C2 ZINC001172123380 793343292 /nfs/dbraw/zinc/34/32/92/793343292.db2.gz FZUYTJAUUJGDFK-XMTFNYHQSA-N 1 3 319.493 2.479 20 0 DEADHO COCCC[NH+]1CCC(NC[C@@H]2Cc3ccccc3O2)CC1 ZINC001172244802 793385132 /nfs/dbraw/zinc/38/51/32/793385132.db2.gz ZKGRDDAFGWZOFW-KRWDZBQOSA-N 1 3 304.434 2.081 20 0 DEADHO CC(C)COCC[C@H](C)N1CCN(CC[NH+]2CCCC2)CC1 ZINC001172476983 793427379 /nfs/dbraw/zinc/42/73/79/793427379.db2.gz UZRMXTNGBXQCHR-SFHVURJKSA-N 1 3 311.514 2.151 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C)N(C)C ZINC001102088115 793500016 /nfs/dbraw/zinc/50/00/16/793500016.db2.gz MVLBGKBARKHONU-DJIMGWMZSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C)N(C)C ZINC001102088115 793500017 /nfs/dbraw/zinc/50/00/17/793500017.db2.gz MVLBGKBARKHONU-DJIMGWMZSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@H]1CC[C@@H](N2CCC([NH+]3CCC(C(N)=O)CC3)CC2)C1 ZINC001173292761 793662190 /nfs/dbraw/zinc/66/21/90/793662190.db2.gz HSVBVUDZGOMPNZ-WMLDXEAASA-N 1 3 307.482 2.227 20 0 DEADHO COC(=O)c1ccc(C[C@H](C)[NH2+]CCCN2CCCC2)cc1 ZINC001173706389 793817421 /nfs/dbraw/zinc/81/74/21/793817421.db2.gz QDKMROXKFCLBTG-HNNXBMFYSA-N 1 3 304.434 2.480 20 0 DEADHO CC[C@H](F)C[NH2+]CCCC[C@H](C)NC(=O)CN(CC)CC ZINC001175787918 794289291 /nfs/dbraw/zinc/28/92/91/794289291.db2.gz ZAVOXXUOQDCWIZ-GJZGRUSLSA-N 1 3 303.466 2.341 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)CCCC[NH2+]CC[C@H](C)F ZINC001176753359 794497115 /nfs/dbraw/zinc/49/71/15/794497115.db2.gz GTFKKCCLLOIPRT-LSDHHAIUSA-N 1 3 303.466 2.339 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCF ZINC001176760169 794499210 /nfs/dbraw/zinc/49/92/10/794499210.db2.gz QXRKNNOORULTSG-CVEARBPZSA-N 1 3 315.477 2.485 20 0 DEADHO CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CC1)C2)N(CC)CC ZINC001111869026 794507248 /nfs/dbraw/zinc/50/72/48/794507248.db2.gz UVIWJYBXYUGVSL-LNLFQRSKSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CC1)C2)N(CC)CC ZINC001111869026 794507253 /nfs/dbraw/zinc/50/72/53/794507253.db2.gz UVIWJYBXYUGVSL-LNLFQRSKSA-N 1 3 321.509 2.488 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccsc1 ZINC001176991477 794551692 /nfs/dbraw/zinc/55/16/92/794551692.db2.gz CDRFRKXLMFOGOZ-HNNXBMFYSA-N 1 3 309.479 2.218 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3ccccc3)C[C@H]21 ZINC001115300679 794727487 /nfs/dbraw/zinc/72/74/87/794727487.db2.gz XOODUKYJOCSXPY-NWGLXNPWSA-N 1 3 315.461 2.134 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3ccccc3)C[C@H]21 ZINC001115300679 794727492 /nfs/dbraw/zinc/72/74/92/794727492.db2.gz XOODUKYJOCSXPY-NWGLXNPWSA-N 1 3 315.461 2.134 20 0 DEADHO C[C@H]1[C@@H]([NH2+]C/C=C/Cl)CCN1C(=O)CN(C)CC(C)(C)C ZINC001179550026 795135881 /nfs/dbraw/zinc/13/58/81/795135881.db2.gz PZGWJFZLHIFYCG-AJKRIUKHSA-N 1 3 315.889 2.296 20 0 DEADHO CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C ZINC001179608661 795142879 /nfs/dbraw/zinc/14/28/79/795142879.db2.gz VCKYRURRYSRIEC-NCVJHSOJSA-N 1 3 304.438 2.278 20 0 DEADHO CC[C@H](F)C[NH2+]CCCCCCNC(=O)CN1CCC[C@@H]1C ZINC001179581012 795144916 /nfs/dbraw/zinc/14/49/16/795144916.db2.gz ZOULBAJVFTXZCD-HOTGVXAUSA-N 1 3 315.477 2.485 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NOC(C)(C)C)CC2)CC1 ZINC001118383578 795183079 /nfs/dbraw/zinc/18/30/79/795183079.db2.gz JHRAKKCWUMJNIO-UHFFFAOYSA-N 1 3 311.470 2.029 20 0 DEADHO CC[C@@H](F)C[NH2+]CCCCCCNC(=O)Cc1nc[nH]c1C ZINC001180159101 795253068 /nfs/dbraw/zinc/25/30/68/795253068.db2.gz YSJOROKLUDGMFE-CQSZACIVSA-N 1 3 312.433 2.275 20 0 DEADHO Cc1ncoc1C[NH2+]CCCCCCNC(=O)CN(C)C(C)C ZINC001180369602 795292527 /nfs/dbraw/zinc/29/25/27/795292527.db2.gz NGBSKRCTSGWWOR-UHFFFAOYSA-N 1 3 324.469 2.089 20 0 DEADHO CCCC[NH2+]C1(CNC(=O)Cc2nc[nH]c2C)CCCCC1 ZINC001120068149 795401787 /nfs/dbraw/zinc/40/17/87/795401787.db2.gz DWWFMNHFCGOTAD-UHFFFAOYSA-N 1 3 306.454 2.469 20 0 DEADHO CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001121246121 795608158 /nfs/dbraw/zinc/60/81/58/795608158.db2.gz MACQDOCCCCFPKK-GHWPNENMSA-N 1 3 321.509 2.390 20 0 DEADHO CC[C@H](C(=O)NC1CC2(C1)CC([NH2+]CC1CCC1)C2)N(C)C ZINC001121288373 795612858 /nfs/dbraw/zinc/61/28/58/795612858.db2.gz DQGBRXCXWZPNTE-LMBQMVEXSA-N 1 3 307.482 2.144 20 0 DEADHO CN(CC(=O)NC1CC2(C1)CC([NH2+]CC1CC1)C2)CC(C)(C)C ZINC001121791796 795687442 /nfs/dbraw/zinc/68/74/42/795687442.db2.gz ZZFSZKXACZCMFL-UHFFFAOYSA-N 1 3 321.509 2.391 20 0 DEADHO CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001182517816 795696833 /nfs/dbraw/zinc/69/68/33/795696833.db2.gz XSVIIEDPEJEAGH-JFIYKMOQSA-N 1 3 311.514 2.447 20 0 DEADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1CCCN1CC1CC1 ZINC001182559646 795705816 /nfs/dbraw/zinc/70/58/16/795705816.db2.gz VCBQMXUANSOMLR-WBVHZDCISA-N 1 3 307.482 2.097 20 0 DEADHO CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001183229375 795828102 /nfs/dbraw/zinc/82/81/02/795828102.db2.gz JIKIFLQKDPQKPE-FYCOFBDGSA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001183229133 795828188 /nfs/dbraw/zinc/82/81/88/795828188.db2.gz CFNGPPASARLDFF-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](F)CN[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001184628783 796095389 /nfs/dbraw/zinc/09/53/89/796095389.db2.gz QMHIYYGWQYPQAT-LSDHHAIUSA-N 1 3 313.461 2.190 20 0 DEADHO CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001185204641 796211430 /nfs/dbraw/zinc/21/14/30/796211430.db2.gz KXCFJWLWKRSYOK-MSNYOWOLSA-N 1 3 318.465 2.383 20 0 DEADHO CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001185651326 796299304 /nfs/dbraw/zinc/29/93/04/796299304.db2.gz YEEPRWOKQKDFEW-JOGGYFKDSA-N 1 3 307.482 2.408 20 0 DEADHO C[C@H](C(=O)N1CC[C@@H](NC/C=C\Cl)C1)[NH+]1CCCCCC1 ZINC001186074873 796353297 /nfs/dbraw/zinc/35/32/97/796353297.db2.gz JSNRZXCJNROGDW-JHSOUAKNSA-N 1 3 313.873 2.194 20 0 DEADHO CC(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001186082224 796354294 /nfs/dbraw/zinc/35/42/94/796354294.db2.gz GKHDPLYULCFHML-SJORKVTESA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@@H](F)CN[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001186739869 796436666 /nfs/dbraw/zinc/43/66/66/796436666.db2.gz XENMNRIVQDFMQP-HZPDHXFCSA-N 1 3 313.461 2.045 20 0 DEADHO CCN(CC)CC(=O)N1CCC([NH2+]Cc2cccc(C)c2)CC1 ZINC001203005625 796482454 /nfs/dbraw/zinc/48/24/54/796482454.db2.gz RSSZUMZQOMDNBP-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO CC(C)=CC[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203030576 796517081 /nfs/dbraw/zinc/51/70/81/796517081.db2.gz ZVCLMHDFDDSLSN-JKSUJKDBSA-N 1 3 319.493 2.454 20 0 DEADHO OCc1ccc(CN2CCC(COCC[NH+]3CCCC3)CC2)o1 ZINC001140680708 796556326 /nfs/dbraw/zinc/55/63/26/796556326.db2.gz QUVOJOKEUSPZGG-UHFFFAOYSA-N 1 3 322.449 2.096 20 0 DEADHO CC(C)=CCN(C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001190653553 797048837 /nfs/dbraw/zinc/04/88/37/797048837.db2.gz DMWNWKLANCKSFJ-ROUUACIJSA-N 1 3 321.509 2.463 20 0 DEADHO CC(C)=CCN(C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001190653553 797048843 /nfs/dbraw/zinc/04/88/43/797048843.db2.gz DMWNWKLANCKSFJ-ROUUACIJSA-N 1 3 321.509 2.463 20 0 DEADHO CCc1ccc(C[NH2+]CCNC(=O)[C@H]2CCCCN2CC)cc1 ZINC001152458821 797190927 /nfs/dbraw/zinc/19/09/27/797190927.db2.gz UOXNLKMEUJZFDP-GOSISDBHSA-N 1 3 317.477 2.329 20 0 DEADHO COc1cc(CN2CCC[C@](F)(C[NH3+])CC2)cc(O)c1OC ZINC001205571591 797266749 /nfs/dbraw/zinc/26/67/49/797266749.db2.gz VKZDYKYLKYEZIJ-MRXNPFEDSA-N 1 3 312.385 2.062 20 0 DEADHO CC[N@H+](CC1CCC1)[C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001153312291 797318622 /nfs/dbraw/zinc/31/86/22/797318622.db2.gz DGBBAYVAXUHHGE-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO CC[N@@H+](CC1CCC1)[C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001153312291 797318632 /nfs/dbraw/zinc/31/86/32/797318632.db2.gz DGBBAYVAXUHHGE-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[C@@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192550253 797405129 /nfs/dbraw/zinc/40/51/29/797405129.db2.gz FYHSRQSGRRBYAH-GDBMZVCRSA-N 1 3 306.454 2.167 20 0 DEADHO CC(C)C[C@@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192550253 797405131 /nfs/dbraw/zinc/40/51/31/797405131.db2.gz FYHSRQSGRRBYAH-GDBMZVCRSA-N 1 3 306.454 2.167 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccccc1)N(C)C ZINC001153998601 797439742 /nfs/dbraw/zinc/43/97/42/797439742.db2.gz ZILQXTSHXWSELX-NVXWUHKLSA-N 1 3 305.466 2.353 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1)N(C)C ZINC001153998601 797439746 /nfs/dbraw/zinc/43/97/46/797439746.db2.gz ZILQXTSHXWSELX-NVXWUHKLSA-N 1 3 305.466 2.353 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)OC(C)C)[C@H](C)C1 ZINC001193648646 797602752 /nfs/dbraw/zinc/60/27/52/797602752.db2.gz HQLGBHNUUHIHGA-CVEARBPZSA-N 1 3 314.470 2.055 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)OC(C)C)[C@H](C)C1 ZINC001193648646 797602756 /nfs/dbraw/zinc/60/27/56/797602756.db2.gz HQLGBHNUUHIHGA-CVEARBPZSA-N 1 3 314.470 2.055 20 0 DEADHO CCN(Cc1ccc(F)cc1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154903766 797635851 /nfs/dbraw/zinc/63/58/51/797635851.db2.gz CDGMSKJOHFJEJF-OAHLLOKOSA-N 1 3 323.456 2.494 20 0 DEADHO Cc1nc(NC[C@H]2CCC[NH2+]C[C@@H]2C)cc(N2CCCC2)n1 ZINC001155020847 797662116 /nfs/dbraw/zinc/66/21/16/797662116.db2.gz PMECWFVAFBTADO-DZGCQCFKSA-N 1 3 303.454 2.433 20 0 DEADHO CC[N@H+](CCCCCF)[C@H](C)CNC(=O)CN1CCC[C@@H]1C ZINC001155227120 797712963 /nfs/dbraw/zinc/71/29/63/797712963.db2.gz UVZZZDQLEBGENE-JKSUJKDBSA-N 1 3 315.477 2.437 20 0 DEADHO CC[N@@H+](CCCCCF)[C@H](C)CNC(=O)CN1CCC[C@@H]1C ZINC001155227120 797712964 /nfs/dbraw/zinc/71/29/64/797712964.db2.gz UVZZZDQLEBGENE-JKSUJKDBSA-N 1 3 315.477 2.437 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CCc1ccccc1)N(C)C ZINC001155289192 797726553 /nfs/dbraw/zinc/72/65/53/797726553.db2.gz NOHOOGDNWUXCBQ-AEFFLSMTSA-N 1 3 319.493 2.396 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCc1ccccc1)N(C)C ZINC001155289192 797726557 /nfs/dbraw/zinc/72/65/57/797726557.db2.gz NOHOOGDNWUXCBQ-AEFFLSMTSA-N 1 3 319.493 2.396 20 0 DEADHO [NH3+]C1CCN(c2cccc(NC[C@@H]3Cc4ccccc4O3)n2)CC1 ZINC001155972604 797894871 /nfs/dbraw/zinc/89/48/71/797894871.db2.gz KNKVYNRKCSFEML-INIZCTEOSA-N 1 3 324.428 2.425 20 0 DEADHO CCCc1cc(NCC2(N(C)C)CC[NH+](C)CC2)nc(C)n1 ZINC001156185449 797942377 /nfs/dbraw/zinc/94/23/77/797942377.db2.gz PWKOGUAGMODPMV-UHFFFAOYSA-N 1 3 305.470 2.175 20 0 DEADHO CN(Cc1ccc(N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)nc1)C1CC1 ZINC001156396365 797992993 /nfs/dbraw/zinc/99/29/93/797992993.db2.gz WBNSFWYWJVQWBG-CRAIPNDOSA-N 1 3 300.450 2.064 20 0 DEADHO c1ccc([C@H](CNc2cc3c(nn2)CCNC3)[NH+]2CCCC2)cc1 ZINC001156531553 798022281 /nfs/dbraw/zinc/02/22/81/798022281.db2.gz OBFRDVGIXIXIFT-SFHVURJKSA-N 1 3 323.444 2.371 20 0 DEADHO CN(C)Cc1cc(F)cc(CN2CCC(F)(F)[C@H](C[NH3+])C2)c1 ZINC001205780018 798078954 /nfs/dbraw/zinc/07/89/54/798078954.db2.gz NYNHKLVPSMHFKW-CQSZACIVSA-N 1 3 315.383 2.303 20 0 DEADHO CC/C=C\CCN1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196952796 798129899 /nfs/dbraw/zinc/12/98/99/798129899.db2.gz CSJHVPFWUDVUEI-WAYWQWQTSA-N 1 3 307.482 2.219 20 0 DEADHO C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@H](N)C12CC3CC(CC(C3)C1)C2 ZINC001157841800 798290893 /nfs/dbraw/zinc/29/08/93/798290893.db2.gz HTYRZWBJTVWMNA-ZVLFDVSGSA-N 1 3 319.493 2.116 20 0 DEADHO Cc1cc2ncnc(N3CCC([N@@H+]4CC[C@H](N)C4)CC3)c2s1 ZINC001158260891 798368989 /nfs/dbraw/zinc/36/89/89/798368989.db2.gz HOIWOCNEAHPILJ-LBPRGKRZSA-N 1 3 317.462 2.002 20 0 DEADHO Cc1cc2ncnc(N3CCC([N@H+]4CC[C@H](N)C4)CC3)c2s1 ZINC001158260891 798368994 /nfs/dbraw/zinc/36/89/94/798368994.db2.gz HOIWOCNEAHPILJ-LBPRGKRZSA-N 1 3 317.462 2.002 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]([NH2+]C(C)C)c1ccccc1OC ZINC001198967482 798421462 /nfs/dbraw/zinc/42/14/62/798421462.db2.gz HBOCLMAFXQKUJI-INIZCTEOSA-N 1 3 321.465 2.192 20 0 DEADHO C[C@@H]1CN(c2cc(C[NH3+])ncn2)[C@H](C)CN1Cc1ccccc1 ZINC001158522834 798421703 /nfs/dbraw/zinc/42/17/03/798421703.db2.gz AAWMMIBOGXNXJR-HUUCEWRRSA-N 1 3 311.433 2.035 20 0 DEADHO Cc1ccnc(N(C2CC[NH2+]CC2)C2CCN(C)CC2)c1F ZINC001158581771 798433446 /nfs/dbraw/zinc/43/34/46/798433446.db2.gz VGFKYXHTIFYUOO-UHFFFAOYSA-N 1 3 306.429 2.182 20 0 DEADHO CC(C)=CCN(C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001158856296 798479406 /nfs/dbraw/zinc/47/94/06/798479406.db2.gz DZEPRYGBGVUCLS-DLBZAZTESA-N 1 3 307.482 2.217 20 0 DEADHO CC(C)=CCN(C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001158856296 798479407 /nfs/dbraw/zinc/47/94/07/798479407.db2.gz DZEPRYGBGVUCLS-DLBZAZTESA-N 1 3 307.482 2.217 20 0 DEADHO CN1CCN(Cc2ccc(NC=CC3CC[NH2+]CC3)cc2)CC1 ZINC001159507213 798575879 /nfs/dbraw/zinc/57/58/79/798575879.db2.gz FDRLFUKSEOKQSJ-DHZHZOJOSA-N 1 3 314.477 2.359 20 0 DEADHO CC(C)[NH+](CCNC(=S)NCCN1CCCCC1)C(C)C ZINC001200434521 798637301 /nfs/dbraw/zinc/63/73/01/798637301.db2.gz WISDSDBFQPYKGQ-UHFFFAOYSA-N 1 3 314.543 2.055 20 0 DEADHO C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)N(C)CCN1CCCC1 ZINC001160689610 798722938 /nfs/dbraw/zinc/72/29/38/798722938.db2.gz ZNRPSJPFGZULNO-INIZCTEOSA-N 1 3 323.868 2.025 20 0 DEADHO CN(C)Cc1ccnc(N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)c1 ZINC001160743149 798733978 /nfs/dbraw/zinc/73/39/78/798733978.db2.gz MCJCPTUZCLMVLC-RYUDHWBXSA-N 1 3 302.344 2.096 20 0 DEADHO CCN(CC)CCNC(=[NH2+])Nc1nc2[nH]ccc2cc1Cl ZINC001163125503 799251548 /nfs/dbraw/zinc/25/15/48/799251548.db2.gz DDIFQEWJPCMGQD-UHFFFAOYSA-N 1 3 308.817 2.446 20 0 DEADHO CCN(CC)CCNC(=[NH2+])Nc1ncnc2cc(F)ccc21 ZINC001163122395 799252113 /nfs/dbraw/zinc/25/21/13/799252113.db2.gz IYDINVJDSKZSBA-UHFFFAOYSA-N 1 3 304.373 2.047 20 0 DEADHO CC[NH+](CC)CCNC(=N)Nc1nc(Cl)cnc1SC ZINC001163128443 799253342 /nfs/dbraw/zinc/25/33/42/799253342.db2.gz KNXXYIGOLJRGMI-UHFFFAOYSA-N 1 3 316.862 2.130 20 0 DEADHO C[C@@H]([NH2+]CCCNC(=O)CN1CCC[C@@H]1C)c1ccccc1F ZINC001166645452 799909139 /nfs/dbraw/zinc/90/91/39/799909139.db2.gz QFELIJXHNBXCRR-LSDHHAIUSA-N 1 3 321.440 2.467 20 0 DEADHO CC1(C)CCN(CC(=O)NCCC[NH2+]Cc2ccsc2)C1 ZINC001166764587 799945465 /nfs/dbraw/zinc/94/54/65/799945465.db2.gz GPWDYYLETJVIEW-UHFFFAOYSA-N 1 3 309.479 2.076 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1oc(C(C)C)nc1C)N(C)C ZINC001166858334 799966273 /nfs/dbraw/zinc/96/62/73/799966273.db2.gz PZWHMTLCNINORD-AWEZNQCLSA-N 1 3 324.469 2.043 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)c1ccccc1C)N(C)C ZINC001166858364 799967001 /nfs/dbraw/zinc/96/70/01/799967001.db2.gz RLHZFKQYNPACAV-RDJZCZTQSA-N 1 3 305.466 2.492 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+]C/C=C/c1ccccc1)N(C)C ZINC001166866841 799968937 /nfs/dbraw/zinc/96/89/37/799968937.db2.gz WPNHXGXBVCEZFA-UEICXMAYSA-N 1 3 303.450 2.136 20 0 DEADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC2)C12CCC2)CC(C)(C)C ZINC001203425782 800045418 /nfs/dbraw/zinc/04/54/18/800045418.db2.gz DGVWIYPNCLWAQI-CVEARBPZSA-N 1 3 321.509 2.391 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]CC=C(C)C)CC1 ZINC001203904433 800144379 /nfs/dbraw/zinc/14/43/79/800144379.db2.gz WMICVZVIHXHRTJ-KRWDZBQOSA-N 1 3 307.482 2.408 20 0 DEADHO C[NH+]1CCC(CN2CCN(Cc3ccc(F)cc3)CC2)CC1 ZINC001203914995 800145735 /nfs/dbraw/zinc/14/57/35/800145735.db2.gz HGEFTUKFRHNWMG-UHFFFAOYSA-N 1 3 305.441 2.285 20 0 DEADHO CC(=O)[C@H]1CCN(Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001204271386 800198053 /nfs/dbraw/zinc/19/80/53/800198053.db2.gz LNVPMYFYUFFDAZ-KRWDZBQOSA-N 1 3 304.434 2.428 20 0 DEADHO CCc1ccc(CN2CCN(CC3CC[NH+](C)CC3)CC2)o1 ZINC001204394875 800211952 /nfs/dbraw/zinc/21/19/52/800211952.db2.gz UWHIFIXAORJKRD-UHFFFAOYSA-N 1 3 305.466 2.301 20 0 DEADHO CN1CCN(Cc2cccc(Nc3cc[nH+]c4c3CCC4)c2)CC1 ZINC001204502553 800222243 /nfs/dbraw/zinc/22/22/43/800222243.db2.gz IDJBYZNULSPYQX-UHFFFAOYSA-N 1 3 322.456 2.483 20 0 DEADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)Cc2cccnc2)CC1 ZINC000934231638 800297267 /nfs/dbraw/zinc/29/72/67/800297267.db2.gz WNJKGECBWISTPJ-KRWDZBQOSA-N 1 3 304.482 2.018 20 0 DEADHO C[NH+](C)Cc1ccc(-c2noc([C@@H]3CCNC[C@H]3F)n2)cc1 ZINC001205220673 800321566 /nfs/dbraw/zinc/32/15/66/800321566.db2.gz ZDZGELIFJOMFAZ-ZIAGYGMSSA-N 1 3 304.369 2.213 20 0 DEADHO CC[C@@H](F)C[NH2+]CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001205490475 800363656 /nfs/dbraw/zinc/36/36/56/800363656.db2.gz IJURLCQIGWXXAJ-CVEARBPZSA-N 1 3 315.477 2.149 20 0 DEADHO NC[C@]1(O)CCCC[N@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC001205673983 800399291 /nfs/dbraw/zinc/39/92/91/800399291.db2.gz WYIKBHPFNIGLLU-LJQANCHMSA-N 1 3 311.429 2.424 20 0 DEADHO NC[C@]1(O)CCCC[N@@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC001205673983 800399297 /nfs/dbraw/zinc/39/92/97/800399297.db2.gz WYIKBHPFNIGLLU-LJQANCHMSA-N 1 3 311.429 2.424 20 0 DEADHO [NH3+]C[C@]1(O)CCCCN(Cc2cccc(-c3ccncc3)c2)C1 ZINC001205673983 800399305 /nfs/dbraw/zinc/39/93/05/800399305.db2.gz WYIKBHPFNIGLLU-LJQANCHMSA-N 1 3 311.429 2.424 20 0 DEADHO NC[C@]1(O)CCCC[N@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001205682751 800400641 /nfs/dbraw/zinc/40/06/41/800400641.db2.gz UJDWLKHOMJKJQT-LJQANCHMSA-N 1 3 311.429 2.424 20 0 DEADHO NC[C@]1(O)CCCC[N@@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001205682751 800400649 /nfs/dbraw/zinc/40/06/49/800400649.db2.gz UJDWLKHOMJKJQT-LJQANCHMSA-N 1 3 311.429 2.424 20 0 DEADHO [NH3+]C[C@]1(O)CCCCN(Cc2ccc(-c3ccccn3)cc2)C1 ZINC001205682751 800400652 /nfs/dbraw/zinc/40/06/52/800400652.db2.gz UJDWLKHOMJKJQT-LJQANCHMSA-N 1 3 311.429 2.424 20 0 DEADHO CC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1ccccc1F ZINC001205686205 800402421 /nfs/dbraw/zinc/40/24/21/800402421.db2.gz YSIVXDPKEWBIDH-DOTOQJQBSA-N 1 3 321.440 2.070 20 0 DEADHO CC(C)NC(=O)c1ccc(C[N@@H+]2CC[C@@H](N)[C@H](F)CC2)cc1 ZINC001206174973 800485275 /nfs/dbraw/zinc/48/52/75/800485275.db2.gz QUBZEJWLGHDEOC-HZPDHXFCSA-N 1 3 307.413 2.086 20 0 DEADHO CC(C)NC(=O)c1ccc(C[N@H+]2CC[C@@H](N)[C@H](F)CC2)cc1 ZINC001206174973 800485279 /nfs/dbraw/zinc/48/52/79/800485279.db2.gz QUBZEJWLGHDEOC-HZPDHXFCSA-N 1 3 307.413 2.086 20 0 DEADHO C[C@@H](F)CC[NH2+]CC1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001206275486 800500339 /nfs/dbraw/zinc/50/03/39/800500339.db2.gz UCIQDDVQKYIFNP-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO [NH3+]C[C@H]1CN(Cc2ccccc2-c2ccc(F)cc2)C[C@H]1O ZINC001206476831 800540140 /nfs/dbraw/zinc/54/01/40/800540140.db2.gz VAWDFLRAPZLDID-MAUKXSAKSA-N 1 3 300.377 2.244 20 0 DEADHO CC(C)(C)CC[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001206928634 800631330 /nfs/dbraw/zinc/63/13/30/800631330.db2.gz CRFBADJQHZJHAZ-UHFFFAOYSA-N 1 3 309.498 2.347 20 0 DEADHO O=C(CN1CCCC1)N1CCC(C[NH2+]CCCCCF)CC1 ZINC001206928746 800631655 /nfs/dbraw/zinc/63/16/55/800631655.db2.gz HPXAHKMYPGFVJI-UHFFFAOYSA-N 1 3 313.461 2.050 20 0 DEADHO C[NH+](C)CC(C)(C)CN1CC[C@@]2(C1)c1ccccc1NC2=O ZINC001207282737 800722380 /nfs/dbraw/zinc/72/23/80/800722380.db2.gz VUFCOEZYYYGCQV-GOSISDBHSA-N 1 3 301.434 2.170 20 0 DEADHO CN(C)CC(C)(C)C[NH+]1CC(CCNC(=O)OC(C)(C)C)C1 ZINC001207282768 800722483 /nfs/dbraw/zinc/72/24/83/800722483.db2.gz NRINJVSWASGPSY-UHFFFAOYSA-N 1 3 313.486 2.421 20 0 DEADHO COC(=O)C1CN(CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207287618 800723785 /nfs/dbraw/zinc/72/37/85/800723785.db2.gz URKATGOWUJYWSV-UHFFFAOYSA-N 1 3 302.418 2.003 20 0 DEADHO COc1ccc([C@H](CN(C)C)NC(=O)CC[NH2+]C(C)(C)C)cc1 ZINC000935885860 800794898 /nfs/dbraw/zinc/79/48/98/800794898.db2.gz BWNSCIWGTDUVHQ-INIZCTEOSA-N 1 3 321.465 2.192 20 0 DEADHO CC1(C[NH+]2CCC3(CCN(Cc4cccnc4)C3)CC2)COC1 ZINC001207795596 800836430 /nfs/dbraw/zinc/83/64/30/800836430.db2.gz YPPDNEIKRAJZQC-UHFFFAOYSA-N 1 3 315.461 2.406 20 0 DEADHO CN(C)CC1(C[N@@H+]2CCC[C@H](Oc3ncccn3)C2)CCCC1 ZINC001208188127 800927551 /nfs/dbraw/zinc/92/75/51/800927551.db2.gz GMPXSSDJJKKGSC-INIZCTEOSA-N 1 3 318.465 2.442 20 0 DEADHO CN(C)CC1(C[N@H+]2CCC[C@H](Oc3ncccn3)C2)CCCC1 ZINC001208188127 800927556 /nfs/dbraw/zinc/92/75/56/800927556.db2.gz GMPXSSDJJKKGSC-INIZCTEOSA-N 1 3 318.465 2.442 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCCCCF)C1)C1CC1 ZINC001208334129 800957301 /nfs/dbraw/zinc/95/73/01/800957301.db2.gz FXEOXTWYFUBOJU-HOTGVXAUSA-N 1 3 313.461 2.047 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCCCCF)C1)C1CC1 ZINC001208334130 800957677 /nfs/dbraw/zinc/95/76/77/800957677.db2.gz FXEOXTWYFUBOJU-HZPDHXFCSA-N 1 3 313.461 2.047 20 0 DEADHO CC/C=C/CC[NH+]1CCC(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001229185242 801238809 /nfs/dbraw/zinc/23/88/09/801238809.db2.gz JTXWUADLGTVZMP-APHBUQMISA-N 1 3 307.482 2.265 20 0 DEADHO CC[C@@H](C(=O)NC1CC[NH+](CC2CC3(CCC3)C2)CC1)N(C)C ZINC001229253534 801247114 /nfs/dbraw/zinc/24/71/14/801247114.db2.gz GPKSCPTVKDIHHB-KRWDZBQOSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001210788357 801464176 /nfs/dbraw/zinc/46/41/76/801464176.db2.gz BVLZCCGLQRCQFL-KRWDZBQOSA-N 1 3 321.440 2.248 20 0 DEADHO CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@H]1C ZINC001214611140 801739432 /nfs/dbraw/zinc/73/94/32/801739432.db2.gz QNPHBOIIUNNXJF-ZACQAIPSSA-N 1 3 309.498 2.342 20 0 DEADHO CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001214855919 801766841 /nfs/dbraw/zinc/76/68/41/801766841.db2.gz RKJPMKUFFNBWOH-DJIMGWMZSA-N 1 3 309.498 2.343 20 0 DEADHO COCc1ccc(C[N@H+](CCCN(C)C)CCC(=O)OC)cc1 ZINC001232299745 801839369 /nfs/dbraw/zinc/83/93/69/801839369.db2.gz DOCLFCMEAKUXAW-UHFFFAOYSA-N 1 3 322.449 2.150 20 0 DEADHO COCc1ccc(C[N@@H+](CCCN(C)C)CCC(=O)OC)cc1 ZINC001232299745 801839373 /nfs/dbraw/zinc/83/93/73/801839373.db2.gz DOCLFCMEAKUXAW-UHFFFAOYSA-N 1 3 322.449 2.150 20 0 DEADHO Cc1cc(C)c(CN2CCN(CC3CC[NH+](C)CC3)CC2)cn1 ZINC001233008548 802001072 /nfs/dbraw/zinc/00/10/72/802001072.db2.gz DCUMFYFWYCSWFS-UHFFFAOYSA-N 1 3 316.493 2.158 20 0 DEADHO CN1CC2(C1)CC[NH+](Cc1ccc(O)c3[nH]c(=O)ccc13)CC2 ZINC001233294977 802068176 /nfs/dbraw/zinc/06/81/76/802068176.db2.gz HPZBCXRXDFRPPI-UHFFFAOYSA-N 1 3 313.401 2.174 20 0 DEADHO Cc1noc2nc(O[C@@H]3CC[NH2+]C(C)(C)C3)c3c(c12)CCNC3 ZINC001218469572 802188641 /nfs/dbraw/zinc/18/86/41/802188641.db2.gz LMKZFGFJFLMYRM-LLVKDONJSA-N 1 3 316.405 2.086 20 0 DEADHO O=C(Nc1cc([C@@H]2CCCN2)no1)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001218714400 802231571 /nfs/dbraw/zinc/23/15/71/802231571.db2.gz YFJJYPLIULYHIA-OLZOCXBDSA-N 1 3 318.421 2.208 20 0 DEADHO Nc1ccc2c(c1)Cc1cc(NC(=O)[C@@H](N)CCCC[NH3+])ccc1-2 ZINC001218881312 802253667 /nfs/dbraw/zinc/25/36/67/802253667.db2.gz RMPNGIKDIGSVLU-SFHVURJKSA-N 1 3 324.428 2.235 20 0 DEADHO CC(C)(C[NH3+])c1ccc(NC(=O)c2cncc3c2CCNC3)cc1 ZINC001218897384 802255125 /nfs/dbraw/zinc/25/51/25/802255125.db2.gz MSJJVCSDWGTTIS-UHFFFAOYSA-N 1 3 324.428 2.216 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCCc2cc(N)ccc21 ZINC001219265892 802304582 /nfs/dbraw/zinc/30/45/82/802304582.db2.gz ASFZKNJZSLQPBC-INIZCTEOSA-N 1 3 318.465 2.044 20 0 DEADHO CCCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001234403778 802370371 /nfs/dbraw/zinc/37/03/71/802370371.db2.gz YZOIQFPZBZOFQP-YESZJQIVSA-N 1 3 309.498 2.440 20 0 DEADHO CCCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001234403778 802370378 /nfs/dbraw/zinc/37/03/78/802370378.db2.gz YZOIQFPZBZOFQP-YESZJQIVSA-N 1 3 309.498 2.440 20 0 DEADHO N[C@@H](CCCC[NH3+])C(=O)NC1CCC(c2ccccc2)CC1 ZINC001219950205 802395111 /nfs/dbraw/zinc/39/51/11/802395111.db2.gz MRCWJIZWRJWTOR-JCYILVPMSA-N 1 3 303.450 2.285 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC001219989749 802398575 /nfs/dbraw/zinc/39/85/75/802398575.db2.gz OKBMCSBSSZOKPG-NFSPANSCSA-N 1 3 321.509 2.423 20 0 DEADHO CC(C)C[C@@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)c1ccccc1 ZINC001220030976 802403966 /nfs/dbraw/zinc/40/39/66/802403966.db2.gz PKYAGXVLMHEQCL-IAGOWNOFSA-N 1 3 303.450 2.217 20 0 DEADHO CC(C)(C)c1ccc(C[C@@H](N)C(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1 ZINC001220859922 802505568 /nfs/dbraw/zinc/50/55/68/802505568.db2.gz SNXLZTBNOUGLIF-CVEARBPZSA-N 1 3 319.493 2.344 20 0 DEADHO CCOC(=O)[C@@]12C[N@H+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C[C@@H]1CNCCC2 ZINC001222124995 802647301 /nfs/dbraw/zinc/64/73/01/802647301.db2.gz CNZKDRWLMCZQBW-ATIFRJIPSA-N 1 3 318.461 2.063 20 0 DEADHO CCOC(=O)[C@@]12C[N@@H+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C[C@@H]1CNCCC2 ZINC001222124995 802647302 /nfs/dbraw/zinc/64/73/02/802647302.db2.gz CNZKDRWLMCZQBW-ATIFRJIPSA-N 1 3 318.461 2.063 20 0 DEADHO CC(C)(C)OC(=O)NCCCCN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222141726 802648992 /nfs/dbraw/zinc/64/89/92/802648992.db2.gz RGCQCXXXYLYICZ-KRWDZBQOSA-N 1 3 311.470 2.367 20 0 DEADHO CC(C)=CCC[C@H](C)CCN1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001222514762 802699524 /nfs/dbraw/zinc/69/95/24/802699524.db2.gz DOTDWFPTTLKELR-INIZCTEOSA-N 1 3 307.482 2.313 20 0 DEADHO C[NH+](C)CCCC(=O)NCC1CCN(CCC(F)(F)F)CC1 ZINC001224268664 802853112 /nfs/dbraw/zinc/85/31/12/802853112.db2.gz FKVKFVFCFIVCCC-UHFFFAOYSA-N 1 3 323.403 2.109 20 0 DEADHO CC(C)[C@H](C(=O)NCC1CCN(C/C=C\Cl)CC1)[NH+](C)C ZINC001224402467 802864331 /nfs/dbraw/zinc/86/43/31/802864331.db2.gz IVWZEBSZRDZKOW-GTBONMDNSA-N 1 3 315.889 2.153 20 0 DEADHO CC[C@@H](F)C[NH+]1CCC(CNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001224534973 802879696 /nfs/dbraw/zinc/87/96/96/802879696.db2.gz BMNJBLZXCKALOO-GOEBONIOSA-N 1 3 313.461 2.047 20 0 DEADHO CC[N@H+](C)CCC(=O)NCC1CCN(Cc2ccsc2)CC1 ZINC001225087638 802934740 /nfs/dbraw/zinc/93/47/40/802934740.db2.gz JXROSUPUCYCCHE-UHFFFAOYSA-N 1 3 323.506 2.418 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCC1CCN(Cc2ccsc2)CC1 ZINC001225087638 802934746 /nfs/dbraw/zinc/93/47/46/802934746.db2.gz JXROSUPUCYCCHE-UHFFFAOYSA-N 1 3 323.506 2.418 20 0 DEADHO CCCN(C)CC(=O)NCC1CC[NH+](CC2CCCC2)CC1 ZINC001225252246 802947498 /nfs/dbraw/zinc/94/74/98/802947498.db2.gz NSULCIMVZUIIRJ-UHFFFAOYSA-N 1 3 309.498 2.347 20 0 DEADHO CC(C)C[NH+]1CCC(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001225542164 802979850 /nfs/dbraw/zinc/97/98/50/802979850.db2.gz IXPQLJRCYNPKBF-IYBDPMFKSA-N 1 3 309.498 2.343 20 0 DEADHO CN(CC(=O)NC1CC[NH+](CCCCCF)CC1)C1CCC1 ZINC001227832189 803286262 /nfs/dbraw/zinc/28/62/62/803286262.db2.gz GEYXHOWENGCYGU-UHFFFAOYSA-N 1 3 313.461 2.191 20 0 DEADHO C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC=C(Cl)Cl ZINC001228377505 803352311 /nfs/dbraw/zinc/35/23/11/803352311.db2.gz VSBJGPIKBFCMLK-VXGBXAGGSA-N 1 3 322.280 2.274 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@H]([NH2+]C/C=C\Cl)C2)CCC1 ZINC001418356902 1167594148 /nfs/dbraw/zinc/59/41/48/1167594148.db2.gz AQINBHMRDJCSQY-HXASAQQASA-N 1 3 313.873 2.240 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC[N@H+](C)CC1CCCCC1 ZINC001418528300 1167770400 /nfs/dbraw/zinc/77/04/00/1167770400.db2.gz RNYNXLHODMVWOC-IYBDPMFKSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC[N@@H+](C)CC1CCCCC1 ZINC001418528300 1167770414 /nfs/dbraw/zinc/77/04/14/1167770414.db2.gz RNYNXLHODMVWOC-IYBDPMFKSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[NH2+][C@H](CNC(=O)c1cccc(CN(C)C)c1)C1CC1 ZINC001370275811 1149459318 /nfs/dbraw/zinc/45/93/18/1149459318.db2.gz OZPJCQRZBGRLRH-QGZVFWFLSA-N 1 3 303.450 2.256 20 0 DEADHO CN(CC(=O)N1CC[C@H]([NH2+]CCC(F)(F)F)C1)CC(C)(C)C ZINC001370389918 1149612837 /nfs/dbraw/zinc/61/28/37/1149612837.db2.gz ILEIFYHFAIAVDY-LBPRGKRZSA-N 1 3 323.403 2.107 20 0 DEADHO CC[NH2+][C@@H](CNC(=O)[C@@H](CC)N(C)C)c1ccccc1CC ZINC001368325414 1148414058 /nfs/dbraw/zinc/41/40/58/1148414058.db2.gz AWPWGYZIMMUKAM-DLBZAZTESA-N 1 3 305.466 2.356 20 0 DEADHO CC(C)(C)N1CC[C@@](F)(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC001575139184 1069376392 /nfs/dbraw/zinc/37/63/92/1069376392.db2.gz JHVINSIBYWQOKN-SFHVURJKSA-N 1 3 319.424 2.483 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001368473684 1148459616 /nfs/dbraw/zinc/45/96/16/1148459616.db2.gz HPORNLWPFSWLJS-AJTWTAPCSA-N 1 3 313.873 2.096 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CCC[N@H+](CCC2CC2)CC1)N(C)C ZINC001368512660 1148472031 /nfs/dbraw/zinc/47/20/31/1148472031.db2.gz IQPUCKLOJCZTRP-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCC2CC2)CC1)N(C)C ZINC001368512660 1148472034 /nfs/dbraw/zinc/47/20/34/1148472034.db2.gz IQPUCKLOJCZTRP-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](F)C[N@@H+]1CCC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001368529902 1148479859 /nfs/dbraw/zinc/47/98/59/1148479859.db2.gz ZJHGJSXIQCFTGB-CABCVRRESA-N 1 3 301.450 2.045 20 0 DEADHO CC[C@@H](F)C[N@H+]1CCC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001368529902 1148479862 /nfs/dbraw/zinc/47/98/62/1148479862.db2.gz ZJHGJSXIQCFTGB-CABCVRRESA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@H+](C)CCc1cccs1 ZINC001369011237 1148828129 /nfs/dbraw/zinc/82/81/29/1148828129.db2.gz YKQQGPMVFLLDMB-CQSZACIVSA-N 1 3 311.495 2.067 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@@H+](C)CCc1cccs1 ZINC001369011237 1148828132 /nfs/dbraw/zinc/82/81/32/1148828132.db2.gz YKQQGPMVFLLDMB-CQSZACIVSA-N 1 3 311.495 2.067 20 0 DEADHO Cc1cc(-c2nnn[n-]2)cc(C)c1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC001605521814 1070743175 /nfs/dbraw/zinc/74/31/75/1070743175.db2.gz SXFKCKPKPGJNMY-OAHLLOKOSA-N 1 3 314.437 2.187 20 0 DEADHO Cc1cc(-c2nnn[n-]2)cc(C)c1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC001605521814 1070743182 /nfs/dbraw/zinc/74/31/82/1070743182.db2.gz SXFKCKPKPGJNMY-OAHLLOKOSA-N 1 3 314.437 2.187 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001452658672 1057123667 /nfs/dbraw/zinc/12/36/67/1057123667.db2.gz NXVKTJDGILDYJE-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001452658672 1057123669 /nfs/dbraw/zinc/12/36/69/1057123669.db2.gz NXVKTJDGILDYJE-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCc1cccs1)N(C)C ZINC001499926770 1058381727 /nfs/dbraw/zinc/38/17/27/1058381727.db2.gz SAVUCYRUYTWRNE-HOCLYGCPSA-N 1 3 323.506 2.211 20 0 DEADHO CCOC(OCC)[C@H](C)[NH2+]Cc1ccnn1-c1ccncc1 ZINC001461845766 1058725746 /nfs/dbraw/zinc/72/57/46/1058725746.db2.gz SOQAYBYKNVSGPK-ZDUSSCGKSA-N 1 3 304.394 2.145 20 0 DEADHO CN(C)CCN(Cc1ccco1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001465793712 1059365484 /nfs/dbraw/zinc/36/54/84/1059365484.db2.gz ZALNVENRCPYTIA-HZPDHXFCSA-N 1 3 321.465 2.290 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](CC[NH2+]CCC(F)(F)F)C1 ZINC001501640862 1059599751 /nfs/dbraw/zinc/59/97/51/1059599751.db2.gz LFKQGMHXDXZYIU-ZDUSSCGKSA-N 1 3 323.403 2.109 20 0 DEADHO C[C@H](NCCF)c1ccc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001501681768 1059632162 /nfs/dbraw/zinc/63/21/62/1059632162.db2.gz QHIUEQDOCUBKIN-HOCLYGCPSA-N 1 3 321.440 2.265 20 0 DEADHO C[C@H](NCCF)c1ccc(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001501681768 1059632173 /nfs/dbraw/zinc/63/21/73/1059632173.db2.gz QHIUEQDOCUBKIN-HOCLYGCPSA-N 1 3 321.440 2.265 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]CC[C@@H](C)F)CCC1 ZINC001501960023 1059807263 /nfs/dbraw/zinc/80/72/63/1059807263.db2.gz FYVHAJSDNMUYTF-CABCVRRESA-N 1 3 313.461 2.237 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC2([NH2+]Cc3ccsc3)CCC2)C1 ZINC001501999875 1059855316 /nfs/dbraw/zinc/85/53/16/1059855316.db2.gz LLQFEQPOYCAHQU-AWEZNQCLSA-N 1 3 321.490 2.218 20 0 DEADHO CCC(CC)[C@H](CNC(=O)N[C@H]1CCN(C)[C@H]1C)[NH+]1CCCC1 ZINC001471393674 1060215775 /nfs/dbraw/zinc/21/57/75/1060215775.db2.gz BDBCKTXTORFADY-XIRDDKMYSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001505414403 1060555042 /nfs/dbraw/zinc/55/50/42/1060555042.db2.gz DWSYUAHOEGKKOW-IAGOWNOFSA-N 1 3 315.461 2.251 20 0 DEADHO CCOCC[C@@H](O)CN1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001473717659 1060717012 /nfs/dbraw/zinc/71/70/12/1060717012.db2.gz YWWXSSYAOJIFEU-ZWKOTPCHSA-N 1 3 312.498 2.360 20 0 DEADHO C[C@@H](F)CC[NH2+]CC(C)(C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001505816168 1060995822 /nfs/dbraw/zinc/99/58/22/1060995822.db2.gz GUHHCKFVBSPFHP-CQSZACIVSA-N 1 3 315.477 2.293 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC[C@H](C)F)C1 ZINC001479298545 1061375034 /nfs/dbraw/zinc/37/50/34/1061375034.db2.gz IMRNVKMQEDFPAJ-CAOSSQGBSA-N 1 3 313.461 2.093 20 0 DEADHO C[C@H](N[C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1)c1ccccc1F ZINC001479394176 1061436879 /nfs/dbraw/zinc/43/68/79/1061436879.db2.gz ZETGFJZWERDPSO-KKUMJFAQSA-N 1 3 321.440 2.323 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NC[C@H]1C[C@H]([NH2+]CCC2CC2)C1 ZINC001479417483 1061449307 /nfs/dbraw/zinc/44/93/07/1061449307.db2.gz VWBFTJXDDRIZBA-OTRWWLKZSA-N 1 3 307.482 2.144 20 0 DEADHO CN(C)C1(C(=O)N2CCC([N@H+](C)C/C=C\Cl)CC2)CCC1 ZINC001369185323 1148864238 /nfs/dbraw/zinc/86/42/38/1148864238.db2.gz WWLPCBBURSFBIH-YHYXMXQVSA-N 1 3 313.873 2.146 20 0 DEADHO CN(C)C1(C(=O)N2CCC([N@@H+](C)C/C=C\Cl)CC2)CCC1 ZINC001369185323 1148864239 /nfs/dbraw/zinc/86/42/39/1148864239.db2.gz WWLPCBBURSFBIH-YHYXMXQVSA-N 1 3 313.873 2.146 20 0 DEADHO CCCN(C)CC(=O)N(C)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001479896035 1062006590 /nfs/dbraw/zinc/00/65/90/1062006590.db2.gz VLDRCQYIBHOVLG-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](F)C[NH+]1CCC2(C[C@H]2NC(=O)CN(C)C(C)C)CC1 ZINC001479988430 1062149875 /nfs/dbraw/zinc/14/98/75/1062149875.db2.gz PPCCOXPPAQJQTI-HUUCEWRRSA-N 1 3 313.461 2.045 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001480168790 1062419033 /nfs/dbraw/zinc/41/90/33/1062419033.db2.gz YQVXGEDRBYYJRK-WKILWMFISA-N 1 3 307.482 2.145 20 0 DEADHO CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001480296514 1062601581 /nfs/dbraw/zinc/60/15/81/1062601581.db2.gz BRMOZXAXZVHEAJ-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]([NH2+]C/C=C/Cl)C(C)C ZINC001506994911 1062647750 /nfs/dbraw/zinc/64/77/50/1062647750.db2.gz GCFYWUBSKFNSIO-DIECRNLCSA-N 1 3 312.845 2.134 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@H]1CCC[C@@H](NCc2nccs2)C1 ZINC001480697658 1063204960 /nfs/dbraw/zinc/20/49/60/1063204960.db2.gz HEGVWHGGRPHJLP-KGLIPLIRSA-N 1 3 324.494 2.002 20 0 DEADHO Cc1ccc(F)cc1C[NH2+][C@H](C)CCNC(=O)CN(C)C(C)C ZINC001480814152 1063376178 /nfs/dbraw/zinc/37/61/78/1063376178.db2.gz UKEIATZEPOWFPC-OAHLLOKOSA-N 1 3 323.456 2.459 20 0 DEADHO CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)CCc1cccs1 ZINC001493020914 1063485888 /nfs/dbraw/zinc/48/58/88/1063485888.db2.gz HSGYOWSQGWNHJG-HNNXBMFYSA-N 1 3 323.506 2.071 20 0 DEADHO CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)CCc1cccs1 ZINC001493020914 1063485900 /nfs/dbraw/zinc/48/59/00/1063485900.db2.gz HSGYOWSQGWNHJG-HNNXBMFYSA-N 1 3 323.506 2.071 20 0 DEADHO CC[N@H+](CCNC(=O)[C@@H]1CCCCN1C(C)C)CCC1CC1 ZINC001493029976 1063492033 /nfs/dbraw/zinc/49/20/33/1063492033.db2.gz ZMZQSXQZVUSMCN-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@@H+](CCNC(=O)[C@@H]1CCCCN1C(C)C)CCC1CC1 ZINC001493029976 1063492044 /nfs/dbraw/zinc/49/20/44/1063492044.db2.gz ZMZQSXQZVUSMCN-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[NH2+][C@H]1CN(C(=O)CN(C)CCC)CC[C@@H]1C(F)(F)F ZINC001508085568 1063542962 /nfs/dbraw/zinc/54/29/62/1063542962.db2.gz MLZOTEQEAIEQHX-STQMWFEESA-N 1 3 323.403 2.107 20 0 DEADHO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CC1)N1CCCCCC1 ZINC001493139538 1063600895 /nfs/dbraw/zinc/60/08/95/1063600895.db2.gz IFTSMGZOFHMJAU-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1CC1)N1CCCCCC1 ZINC001493139538 1063600899 /nfs/dbraw/zinc/60/08/99/1063600899.db2.gz IFTSMGZOFHMJAU-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO Cc1ccc(C[NH2+]CCN(C)C(=O)CN(C)C2CCC2)cc1F ZINC001493577401 1063873484 /nfs/dbraw/zinc/87/34/84/1063873484.db2.gz AVBYBFKKMRGYGC-UHFFFAOYSA-N 1 3 321.440 2.166 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([C@@H](C)[NH2+]CCC2CC2)CC1 ZINC001493850426 1063992216 /nfs/dbraw/zinc/99/22/16/1063992216.db2.gz QFZUOBFRFRWMMZ-OAHLLOKOSA-N 1 3 309.498 2.343 20 0 DEADHO CN(CC[NH2+]CC1CCC(C)(C)CC1)C(=O)[C@@H]1CCCN1C ZINC001567476205 1064216871 /nfs/dbraw/zinc/21/68/71/1064216871.db2.gz XEDMPISBCNDLER-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+]CCc1ccccc1 ZINC001567611372 1064279639 /nfs/dbraw/zinc/27/96/39/1064279639.db2.gz DWGUNLWMHSHYSL-SFHVURJKSA-N 1 3 317.477 2.152 20 0 DEADHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]C/C=C\c1ccccc1)N(C)C ZINC001568281889 1064751092 /nfs/dbraw/zinc/75/10/92/1064751092.db2.gz YZAQXZYAACCDPB-UDZWXDPDSA-N 1 3 317.477 2.477 20 0 DEADHO CCCCCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001568514825 1064925779 /nfs/dbraw/zinc/92/57/79/1064925779.db2.gz CIOPLQHYPPWCQS-DOTOQJQBSA-N 1 3 318.465 2.455 20 0 DEADHO CCCCCC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001568514825 1064925789 /nfs/dbraw/zinc/92/57/89/1064925789.db2.gz CIOPLQHYPPWCQS-DOTOQJQBSA-N 1 3 318.465 2.455 20 0 DEADHO CN(C)C1(C(=O)NCc2ccc(C[NH2+]CCCF)cc2)CCC1 ZINC001495489424 1064941291 /nfs/dbraw/zinc/94/12/91/1064941291.db2.gz SDNHWMDXSNTBLB-UHFFFAOYSA-N 1 3 321.440 2.236 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)CC[NH2+]Cc1ccc(F)cc1 ZINC001568714092 1065069511 /nfs/dbraw/zinc/06/95/11/1065069511.db2.gz OGUUVDUWOVIVIB-AWEZNQCLSA-N 1 3 309.429 2.150 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]CCC1CCCC1 ZINC001495743121 1065087415 /nfs/dbraw/zinc/08/74/15/1065087415.db2.gz MKVKEMLBGXVERN-HOTGVXAUSA-N 1 3 309.498 2.250 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]CCC1CCCC1 ZINC001495743123 1065087835 /nfs/dbraw/zinc/08/78/35/1065087835.db2.gz MKVKEMLBGXVERN-HZPDHXFCSA-N 1 3 309.498 2.250 20 0 DEADHO CCN(CCNCc1csc(C)c1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001568791894 1065120289 /nfs/dbraw/zinc/12/02/89/1065120289.db2.gz YBBHGCIYBGUVJJ-HNNXBMFYSA-N 1 3 323.506 2.336 20 0 DEADHO CCN(CCNCc1csc(C)c1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001568791894 1065120291 /nfs/dbraw/zinc/12/02/91/1065120291.db2.gz YBBHGCIYBGUVJJ-HNNXBMFYSA-N 1 3 323.506 2.336 20 0 DEADHO Cc1cc(CNC/C=C/CNC(=O)C[N@H+]2CC[C@H](C)C2)cs1 ZINC001568919816 1065191952 /nfs/dbraw/zinc/19/19/52/1065191952.db2.gz JPBOLCYWRMVZHX-XGACYXMMSA-N 1 3 321.490 2.160 20 0 DEADHO Cc1cc(CNC/C=C/CNC(=O)C[N@@H+]2CC[C@H](C)C2)cs1 ZINC001568919816 1065191954 /nfs/dbraw/zinc/19/19/54/1065191954.db2.gz JPBOLCYWRMVZHX-XGACYXMMSA-N 1 3 321.490 2.160 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC/C=C/C[NH2+]CCCC(C)(C)C ZINC001568953816 1065211186 /nfs/dbraw/zinc/21/11/86/1065211186.db2.gz HRIPUHWFGFLMBD-AATRIKPKSA-N 1 3 306.454 2.349 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC1=CCCCC1 ZINC001569099129 1065282995 /nfs/dbraw/zinc/28/29/95/1065282995.db2.gz RDMPSNDYTLUZEV-DOTOQJQBSA-N 1 3 307.482 2.456 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CN2CC[C@H](C)C2)cc1 ZINC001496156054 1065312789 /nfs/dbraw/zinc/31/27/89/1065312789.db2.gz WRAKUTOSSVGBPP-IRXDYDNUSA-N 1 3 317.477 2.273 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001569562341 1065595342 /nfs/dbraw/zinc/59/53/42/1065595342.db2.gz LDQLCNSKCRXALG-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@](C)(C[NH2+]CCC3CC3)C2)CCC1 ZINC001569671251 1065662152 /nfs/dbraw/zinc/66/21/52/1065662152.db2.gz IUVKYGDIYFXZCA-QGZVFWFLSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C/C=C\Cl)C1 ZINC001496867801 1065763927 /nfs/dbraw/zinc/76/39/27/1065763927.db2.gz MBKUGWCXDUMLCG-DGPIVGRDSA-N 1 3 313.873 2.002 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C/C=C\Cl)C1 ZINC001496867801 1065763939 /nfs/dbraw/zinc/76/39/39/1065763939.db2.gz MBKUGWCXDUMLCG-DGPIVGRDSA-N 1 3 313.873 2.002 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC2CCCC2)C1 ZINC001496869257 1065766498 /nfs/dbraw/zinc/76/64/98/1065766498.db2.gz PJQFJSYVQHENED-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC2CCCC2)C1 ZINC001496869257 1065766505 /nfs/dbraw/zinc/76/65/05/1065766505.db2.gz PJQFJSYVQHENED-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)(C)OC(=O)NCCN1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC001575224112 1066227715 /nfs/dbraw/zinc/22/77/15/1066227715.db2.gz PAVLMVNTOBDRFZ-CQSZACIVSA-N 1 3 311.470 2.221 20 0 DEADHO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](CN)C2)C1 ZINC001575231178 1066229213 /nfs/dbraw/zinc/22/92/13/1066229213.db2.gz BZKXKSMMELISIU-RRFJBIMHSA-N 1 3 311.470 2.351 20 0 DEADHO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@H+]2CCC[C@H](CN)C2)C1 ZINC001575231178 1066229228 /nfs/dbraw/zinc/22/92/28/1066229228.db2.gz BZKXKSMMELISIU-RRFJBIMHSA-N 1 3 311.470 2.351 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCc2ccc(F)cc21)N(C)C ZINC001497912563 1066410515 /nfs/dbraw/zinc/41/05/15/1066410515.db2.gz MMWDJUSRXKKYPB-DQYPLSBCSA-N 1 3 321.440 2.248 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC[C@H]1CCCC1(F)F)N(C)C ZINC001498115124 1066511532 /nfs/dbraw/zinc/51/15/32/1066511532.db2.gz OHKCIGXZTPTNAO-MJBXVCDLSA-N 1 3 319.440 2.246 20 0 DEADHO C[C@H]1COC2(CCCC2)CN1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001576854084 1066701970 /nfs/dbraw/zinc/70/19/70/1066701970.db2.gz KZYAHFPSACUVQU-HOTGVXAUSA-N 1 3 308.466 2.179 20 0 DEADHO C[C@@H]1COC2(CCCC2)CN1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001576854083 1066702060 /nfs/dbraw/zinc/70/20/60/1066702060.db2.gz KZYAHFPSACUVQU-CVEARBPZSA-N 1 3 308.466 2.179 20 0 DEADHO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC001576947753 1066729403 /nfs/dbraw/zinc/72/94/03/1066729403.db2.gz DUEFFJPQQIMSSK-GFCCVEGCSA-N 1 3 305.422 2.274 20 0 DEADHO CC(C)=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001498495993 1066745064 /nfs/dbraw/zinc/74/50/64/1066745064.db2.gz DAOKFRBWTGNEDP-JKSUJKDBSA-N 1 3 318.465 2.491 20 0 DEADHO CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001498641434 1066816115 /nfs/dbraw/zinc/81/61/15/1066816115.db2.gz BSJCIKCDOUGYIL-INIZCTEOSA-N 1 3 309.429 2.104 20 0 DEADHO CN(CCC[NH2+]Cc1ccc(Cl)cc1)C(=O)CN1CCCC1 ZINC001498655617 1066824976 /nfs/dbraw/zinc/82/49/76/1066824976.db2.gz TYXVUJZOLDEFGD-UHFFFAOYSA-N 1 3 323.868 2.374 20 0 DEADHO CC[NH2+]CC(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC001577833984 1066935228 /nfs/dbraw/zinc/93/52/28/1066935228.db2.gz CIVXCZKWALBOMS-UHFFFAOYSA-N 1 3 303.328 2.315 20 0 DEADHO CCOC(=O)N1CCC(C)(CN2CCC23CC[NH2+]CC3)CC1 ZINC001577967695 1066961170 /nfs/dbraw/zinc/96/11/70/1066961170.db2.gz WQYYUCLNSHRHMP-UHFFFAOYSA-N 1 3 309.454 2.073 20 0 DEADHO CCOC(=O)N1CCC(C)(C[N@@H+]2CCC23CCNCC3)CC1 ZINC001577967695 1066961176 /nfs/dbraw/zinc/96/11/76/1066961176.db2.gz WQYYUCLNSHRHMP-UHFFFAOYSA-N 1 3 309.454 2.073 20 0 DEADHO CCOC(=O)N1CCC(C)(C[N@H+]2CCC23CCNCC3)CC1 ZINC001577967695 1066961187 /nfs/dbraw/zinc/96/11/87/1066961187.db2.gz WQYYUCLNSHRHMP-UHFFFAOYSA-N 1 3 309.454 2.073 20 0 DEADHO CN(CC(=O)N1CCC([C@@H]2CCC[NH2+]CC2)CC1)C1CCC1 ZINC001578433001 1067099857 /nfs/dbraw/zinc/09/98/57/1067099857.db2.gz IYXUCXKGKOGLKE-OAHLLOKOSA-N 1 3 307.482 2.099 20 0 DEADHO CN(CCCN(C)C(=O)C1([NH3+])CCCCC1)Cc1ccco1 ZINC001578466906 1067111841 /nfs/dbraw/zinc/11/18/41/1067111841.db2.gz YCISSNDMRRDMHV-UHFFFAOYSA-N 1 3 307.438 2.222 20 0 DEADHO CN(CC(=O)NCC1([NH2+]CC2=CCCCC2)CC1)C1CCC1 ZINC001499248440 1067156904 /nfs/dbraw/zinc/15/69/04/1067156904.db2.gz HXHJQTBFNFVUOT-UHFFFAOYSA-N 1 3 305.466 2.210 20 0 DEADHO C[C@@H](CN(C)[C@H]1CCc2ccc(F)cc21)NC(=O)CC[NH+](C)C ZINC001483380754 1078494819 /nfs/dbraw/zinc/49/48/19/1078494819.db2.gz NADNNNQEDMKLPA-GUYCJALGSA-N 1 3 321.440 2.201 20 0 DEADHO C[C@@H]1C[C@H](C(=O)N2CCN(CC3CCCCC3)CC2)CC[NH2+]1 ZINC001579468184 1067348274 /nfs/dbraw/zinc/34/82/74/1067348274.db2.gz BPCJYETYFLXHBY-NVXWUHKLSA-N 1 3 307.482 2.099 20 0 DEADHO Cc1c(C[C@@H](CN)C[N@@H+](C)[C@@H](C)Cc2cccs2)cnn1C ZINC001579530611 1067361590 /nfs/dbraw/zinc/36/15/90/1067361590.db2.gz WCRXHPLWMPUSKE-ZFWWWQNUSA-N 1 3 320.506 2.470 20 0 DEADHO Cc1c(C[C@@H](CN)C[N@H+](C)[C@@H](C)Cc2cccs2)cnn1C ZINC001579530611 1067361601 /nfs/dbraw/zinc/36/16/01/1067361601.db2.gz WCRXHPLWMPUSKE-ZFWWWQNUSA-N 1 3 320.506 2.470 20 0 DEADHO Cc1c(C[C@@H](C[NH3+])CN(C)[C@@H](C)Cc2cccs2)cnn1C ZINC001579530611 1067361614 /nfs/dbraw/zinc/36/16/14/1067361614.db2.gz WCRXHPLWMPUSKE-ZFWWWQNUSA-N 1 3 320.506 2.470 20 0 DEADHO Cc1cccc(CN2CC[C@H](NC(=O)CCC(C)(C)[NH3+])C2)c1 ZINC001579760985 1067418012 /nfs/dbraw/zinc/41/80/12/1067418012.db2.gz RRZQARPOVRJPAE-INIZCTEOSA-N 1 3 303.450 2.203 20 0 DEADHO Cc1cccc(CN2CC[C@H](NC(=O)C[C@H]3CC[C@@H]([NH3+])C3)C2)c1 ZINC001579760660 1067418202 /nfs/dbraw/zinc/41/82/02/1067418202.db2.gz LJUUPUOQURGDSX-JQHSSLGASA-N 1 3 315.461 2.203 20 0 DEADHO Cc1nn(C(C)C)c(C)c1CN1CCC(OCCC[NH3+])CC1 ZINC001579889539 1067448017 /nfs/dbraw/zinc/44/80/17/1067448017.db2.gz UDOHZJSAQATUHK-UHFFFAOYSA-N 1 3 308.470 2.411 20 0 DEADHO [NH3+][C@@H]1C[C@H](N[C@H]2Cc3ccc(Cl)cc3C2)C12CCOCC2 ZINC001580162689 1067513821 /nfs/dbraw/zinc/51/38/21/1067513821.db2.gz DBYNNRQELSTBMG-XHSDSOJGSA-N 1 3 306.837 2.293 20 0 DEADHO [NH3+][C@@H]1C[C@H](NCCc2ccc3c(c2)OCCCO3)C12CCC2 ZINC001580165306 1067515101 /nfs/dbraw/zinc/51/51/01/1067515101.db2.gz UOEGOQXFAQJPGA-SJORKVTESA-N 1 3 302.418 2.250 20 0 DEADHO CN(CC(=O)NCC1=CC[N@H+](CC2CCCC2)CC1)C1CCC1 ZINC001279573340 1078570644 /nfs/dbraw/zinc/57/06/44/1078570644.db2.gz CGYSASFJBWAZDC-UHFFFAOYSA-N 1 3 319.493 2.409 20 0 DEADHO CN(CC(=O)NCC1=CC[N@@H+](CC2CCCC2)CC1)C1CCC1 ZINC001279573340 1078570649 /nfs/dbraw/zinc/57/06/49/1078570649.db2.gz CGYSASFJBWAZDC-UHFFFAOYSA-N 1 3 319.493 2.409 20 0 DEADHO CC(C)=CCN(C)C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001570541210 1067995496 /nfs/dbraw/zinc/99/54/96/1067995496.db2.gz ZVTRYPNYOCIXLV-QGZVFWFLSA-N 1 3 307.482 2.217 20 0 DEADHO CC/C=C/CC[NH2+]C1CC(N(C)C(=O)CN2CC[C@@H](C)C2)C1 ZINC001571661933 1068466659 /nfs/dbraw/zinc/46/66/59/1068466659.db2.gz JWIYAIPLCRTWQC-DILTYTOBSA-N 1 3 307.482 2.264 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[NH2+]C[C@H]1CCCC(F)(F)C1)N(C)C ZINC001267456932 1078865131 /nfs/dbraw/zinc/86/51/31/1078865131.db2.gz OEGZUEMBIAWPJY-KBPBESRZSA-N 1 3 319.440 2.200 20 0 DEADHO CC[C@H](C(=O)N(C)CC[NH2+]C[C@@H]1CCCC(F)(F)C1)N(C)C ZINC001267456935 1078865361 /nfs/dbraw/zinc/86/53/61/1078865361.db2.gz OEGZUEMBIAWPJY-ZIAGYGMSSA-N 1 3 319.440 2.200 20 0 DEADHO CCCC[N@H+]1CC=C(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001279687074 1078947411 /nfs/dbraw/zinc/94/74/11/1078947411.db2.gz DRKFBIIWXIZFID-HOTGVXAUSA-N 1 3 307.482 2.408 20 0 DEADHO CCCC[N@@H+]1CC=C(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001279687074 1078947416 /nfs/dbraw/zinc/94/74/16/1078947416.db2.gz DRKFBIIWXIZFID-HOTGVXAUSA-N 1 3 307.482 2.408 20 0 DEADHO [NH3+]CC[C@H]1CN(C(=O)c2cccc3c2CNC3)c2ccccc21 ZINC001548580609 1072695743 /nfs/dbraw/zinc/69/57/43/1072695743.db2.gz UNMBTYXSHZJHOK-AWEZNQCLSA-N 1 3 307.397 2.383 20 0 DEADHO CCn1cc([C@@H]2OCCC[C@@H]2C[NH2+][C@H]2CCCC[C@H]2CN)cn1 ZINC001549338672 1073131336 /nfs/dbraw/zinc/13/13/36/1073131336.db2.gz WZMDXWOARWXDSX-CIRFHOKZSA-N 1 3 320.481 2.478 20 0 DEADHO [NH3+]C[C@H]1Cc2ccccc2N(C(=O)c2ccc3c(c2)CNCC3)C1 ZINC001550108422 1073430742 /nfs/dbraw/zinc/43/07/42/1073430742.db2.gz GYDOPURLBRECBR-CQSZACIVSA-N 1 3 321.424 2.110 20 0 DEADHO C[C@@H](C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)N1CCCCCC1 ZINC001550239861 1073532493 /nfs/dbraw/zinc/53/24/93/1073532493.db2.gz QWJBAWJMJOYNGU-WMZOPIPTSA-N 1 3 307.482 2.243 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001550239845 1073532515 /nfs/dbraw/zinc/53/25/15/1073532515.db2.gz QVHKSOOKOAXBKR-LJQANCHMSA-N 1 3 315.461 2.354 20 0 DEADHO C[C@H](C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)N1CCCCCC1 ZINC001550239853 1073532760 /nfs/dbraw/zinc/53/27/60/1073532760.db2.gz QWJBAWJMJOYNGU-AEFFLSMTSA-N 1 3 307.482 2.243 20 0 DEADHO O=C(NC[C@@H]1CCN1C1CCCC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001550328980 1073595799 /nfs/dbraw/zinc/59/57/99/1073595799.db2.gz GCGRNGHKLKXPTG-YESZJQIVSA-N 1 3 305.466 2.136 20 0 DEADHO O=C(NC[C@@H]1CCN1C1CCCC1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001550328980 1073595811 /nfs/dbraw/zinc/59/58/11/1073595811.db2.gz GCGRNGHKLKXPTG-YESZJQIVSA-N 1 3 305.466 2.136 20 0 DEADHO CC(C)=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001483811065 1079135911 /nfs/dbraw/zinc/13/59/11/1079135911.db2.gz DCPNDCMVARGJAT-SJORKVTESA-N 1 3 307.482 2.360 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@@H](NCc1ccnn1C(C)C)C2 ZINC001550421657 1073647273 /nfs/dbraw/zinc/64/72/73/1073647273.db2.gz APQHSLYHDLBNKK-MHORFTMASA-N 1 3 320.481 2.033 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@@H](NCc1ccnn1C(C)C)C2 ZINC001550421657 1073647279 /nfs/dbraw/zinc/64/72/79/1073647279.db2.gz APQHSLYHDLBNKK-MHORFTMASA-N 1 3 320.481 2.033 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3cnc(C)s3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550423991 1073648135 /nfs/dbraw/zinc/64/81/35/1073648135.db2.gz WIHXZFVAFUXEOJ-QZWWFDLISA-N 1 3 323.506 2.411 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3cnc(C)s3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550423991 1073648140 /nfs/dbraw/zinc/64/81/40/1073648140.db2.gz WIHXZFVAFUXEOJ-QZWWFDLISA-N 1 3 323.506 2.411 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3scnc3C)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550424230 1073649794 /nfs/dbraw/zinc/64/97/94/1073649794.db2.gz ZYZSRZREIWQTES-OHFALNGGSA-N 1 3 323.506 2.411 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3scnc3C)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550424230 1073649795 /nfs/dbraw/zinc/64/97/95/1073649795.db2.gz ZYZSRZREIWQTES-OHFALNGGSA-N 1 3 323.506 2.411 20 0 DEADHO Cc1noc([C@]23CCC[C@@H]2C[N@@H+](CC[C@@H]2CCCN2C)C3)n1 ZINC001550550292 1073718770 /nfs/dbraw/zinc/71/87/70/1073718770.db2.gz JLXVYPNAGJXNKF-VYDXJSESSA-N 1 3 304.438 2.216 20 0 DEADHO Cc1noc([C@]23CCC[C@@H]2C[N@H+](CC[C@@H]2CCCN2C)C3)n1 ZINC001550550292 1073718777 /nfs/dbraw/zinc/71/87/77/1073718777.db2.gz JLXVYPNAGJXNKF-VYDXJSESSA-N 1 3 304.438 2.216 20 0 DEADHO CCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001483849020 1079149693 /nfs/dbraw/zinc/14/96/93/1079149693.db2.gz PWFQAZMHKZKYJL-GOSISDBHSA-N 1 3 318.465 2.457 20 0 DEADHO CCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001483849020 1079149696 /nfs/dbraw/zinc/14/96/96/1079149696.db2.gz PWFQAZMHKZKYJL-GOSISDBHSA-N 1 3 318.465 2.457 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001481072238 1079150494 /nfs/dbraw/zinc/15/04/94/1079150494.db2.gz WDQGZIPIZWTDKF-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001481072238 1079150496 /nfs/dbraw/zinc/15/04/96/1079150496.db2.gz WDQGZIPIZWTDKF-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3ccccn3)C2)[C@@H]1C(C)C ZINC001550668329 1073786705 /nfs/dbraw/zinc/78/67/05/1073786705.db2.gz VRFAPKRTTXYWTI-XSLAGTTESA-N 1 3 303.450 2.041 20 0 DEADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3ccccn3)C2)[C@@H]1C(C)C ZINC001550668329 1073786710 /nfs/dbraw/zinc/78/67/10/1073786710.db2.gz VRFAPKRTTXYWTI-XSLAGTTESA-N 1 3 303.450 2.041 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC001550800724 1073881110 /nfs/dbraw/zinc/88/11/10/1073881110.db2.gz BNQUMNVVJAMDDD-RDJZCZTQSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC001550800724 1073881117 /nfs/dbraw/zinc/88/11/17/1073881117.db2.gz BNQUMNVVJAMDDD-RDJZCZTQSA-N 1 3 307.482 2.050 20 0 DEADHO Cn1cc([C@@H]2OCCC[C@@H]2CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC001552375771 1074558960 /nfs/dbraw/zinc/55/89/60/1074558960.db2.gz LWGGVLUGMKXEHE-NRSFXHEJSA-N 1 3 318.465 2.104 20 0 DEADHO Cn1cc([C@@H]2OCCC[C@@H]2CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC001552375771 1074558965 /nfs/dbraw/zinc/55/89/65/1074558965.db2.gz LWGGVLUGMKXEHE-NRSFXHEJSA-N 1 3 318.465 2.104 20 0 DEADHO CN(C)[C@@H]1CCC[N@H+](C[C@@H]2CCCO[C@@H]2c2cnn(C)c2)CC1 ZINC001552530363 1074600473 /nfs/dbraw/zinc/60/04/73/1074600473.db2.gz JJMOEBAWERUJRJ-JQHSSLGASA-N 1 3 320.481 2.304 20 0 DEADHO CN(C)[C@@H]1CCC[N@@H+](C[C@@H]2CCCO[C@@H]2c2cnn(C)c2)CC1 ZINC001552530363 1074600477 /nfs/dbraw/zinc/60/04/77/1074600477.db2.gz JJMOEBAWERUJRJ-JQHSSLGASA-N 1 3 320.481 2.304 20 0 DEADHO CN(CCN1CCCCC1)C(=O)[C@H]1CCCCC12CC[NH2+]CC2 ZINC001646764433 1074607335 /nfs/dbraw/zinc/60/73/35/1074607335.db2.gz BLUAVNFFVYGIDS-QGZVFWFLSA-N 1 3 321.509 2.491 20 0 DEADHO [NH3+]Cc1ccccc1C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC001646772884 1074612013 /nfs/dbraw/zinc/61/20/13/1074612013.db2.gz RMMMFKYUQFSSOJ-KRWDZBQOSA-N 1 3 311.385 2.059 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)[C@@H](N)C3CCCCCC3)C[C@H]2C1 ZINC001646835942 1074641630 /nfs/dbraw/zinc/64/16/30/1074641630.db2.gz VRKHZNKDLIWJGC-TVFCKZIOSA-N 1 3 321.509 2.473 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H](C)C1 ZINC001671230456 1074679820 /nfs/dbraw/zinc/67/98/20/1074679820.db2.gz FMGHNXKZSNZEEK-JKSUJKDBSA-N 1 3 307.482 2.406 20 0 DEADHO CC(C)=CC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H](C)C1 ZINC001671230454 1074679833 /nfs/dbraw/zinc/67/98/33/1074679833.db2.gz FMGHNXKZSNZEEK-HOTGVXAUSA-N 1 3 307.482 2.406 20 0 DEADHO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)N1CCN(C2CCCC2)CC1 ZINC001647085861 1074786063 /nfs/dbraw/zinc/78/60/63/1074786063.db2.gz OMVRKCXKSAWREQ-IRXDYDNUSA-N 1 3 322.497 2.129 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N[C@H]1C[C@H](C[NH3+])C1)c1ccsc1 ZINC001647554656 1074945815 /nfs/dbraw/zinc/94/58/15/1074945815.db2.gz ONQWKWXBPPCSRO-BPLDGKMQSA-N 1 3 324.494 2.168 20 0 DEADHO CCCC[NH2+]CCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001567561506 1075068331 /nfs/dbraw/zinc/06/83/31/1075068331.db2.gz RLFGZAWLYDNZFA-MRXNPFEDSA-N 1 3 301.450 2.047 20 0 DEADHO CC(C)=CCN1CC(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001267695015 1079384587 /nfs/dbraw/zinc/38/45/87/1079384587.db2.gz XFEMMLCEVZPPDI-MRXNPFEDSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[N@H+](C)[C@H]1CCc2ccccc21 ZINC001566519956 1075268293 /nfs/dbraw/zinc/26/82/93/1075268293.db2.gz MDTBQWCGJRIQKJ-SFHVURJKSA-N 1 3 317.477 2.452 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001566519956 1075268295 /nfs/dbraw/zinc/26/82/95/1075268295.db2.gz MDTBQWCGJRIQKJ-SFHVURJKSA-N 1 3 317.477 2.452 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCCF)C1CC1 ZINC001566722834 1075326807 /nfs/dbraw/zinc/32/68/07/1075326807.db2.gz QBKAHSULXNALKT-HZPDHXFCSA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)CCC[NH2+]C[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001567141336 1075442625 /nfs/dbraw/zinc/44/26/25/1075442625.db2.gz ZFZKBOFEPFMTFY-SJORKVTESA-N 1 3 309.498 2.203 20 0 DEADHO CCCCCC[NH2+]C[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001567140262 1075442715 /nfs/dbraw/zinc/44/27/15/1075442715.db2.gz KSHQPBVRXAVJLH-SJORKVTESA-N 1 3 309.498 2.347 20 0 DEADHO CN(C)C1(C(=O)NCC[N@H+](C)CCC2=CCCCC2)CCC1 ZINC001567286013 1075487451 /nfs/dbraw/zinc/48/74/51/1075487451.db2.gz WLGYRNHVIRFJIK-UHFFFAOYSA-N 1 3 307.482 2.409 20 0 DEADHO CN(C)C1(C(=O)NCC[N@@H+](C)CCC2=CCCCC2)CCC1 ZINC001567286013 1075487453 /nfs/dbraw/zinc/48/74/53/1075487453.db2.gz WLGYRNHVIRFJIK-UHFFFAOYSA-N 1 3 307.482 2.409 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC001650184860 1079440919 /nfs/dbraw/zinc/44/09/19/1079440919.db2.gz IZGBVIUMQAVOKG-SJORKVTESA-N 1 3 324.513 2.267 20 0 DEADHO [NH3+]Cc1cccnc1NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC001580349286 1075908271 /nfs/dbraw/zinc/90/82/71/1075908271.db2.gz RBNJLQLVJLTIIN-UHFFFAOYSA-N 1 3 319.368 2.353 20 0 DEADHO [NH3+][C@@H]1CC[C@H](CC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC001580384623 1075913825 /nfs/dbraw/zinc/91/38/25/1075913825.db2.gz OPYWGLFJYHLREO-JQHSSLGASA-N 1 3 315.461 2.457 20 0 DEADHO O=C([C@@H]1C[NH2+]CCC12CCC2)N1CCN(C2CCCCC2)CC1 ZINC001580485081 1075935034 /nfs/dbraw/zinc/93/50/34/1075935034.db2.gz SEGKNVWGLPPUDB-KRWDZBQOSA-N 1 3 319.493 2.243 20 0 DEADHO C[N@H+](CCCCCC[NH3+])Cc1cc(Cl)cc(-c2nnn[n-]2)c1 ZINC001591066724 1076708734 /nfs/dbraw/zinc/70/87/34/1076708734.db2.gz GWMXJOWMTDHQGS-UHFFFAOYSA-N 1 3 322.844 2.471 20 0 DEADHO C[N@@H+](CCCCCC[NH3+])Cc1cc(Cl)cc(-c2nnn[n-]2)c1 ZINC001591066724 1076708736 /nfs/dbraw/zinc/70/87/36/1076708736.db2.gz GWMXJOWMTDHQGS-UHFFFAOYSA-N 1 3 322.844 2.471 20 0 DEADHO C[N@H+](CCCCCC[NH3+])Cc1cc(Cl)cc(-c2nn[n-]n2)c1 ZINC001591066724 1076708737 /nfs/dbraw/zinc/70/87/37/1076708737.db2.gz GWMXJOWMTDHQGS-UHFFFAOYSA-N 1 3 322.844 2.471 20 0 DEADHO C[N@@H+](CCCCCC[NH3+])Cc1cc(Cl)cc(-c2nn[n-]n2)c1 ZINC001591066724 1076708740 /nfs/dbraw/zinc/70/87/40/1076708740.db2.gz GWMXJOWMTDHQGS-UHFFFAOYSA-N 1 3 322.844 2.471 20 0 DEADHO CSc1ccc(C[NH2+][C@H](C)CCCC[NH3+])cc1-c1nnn[n-]1 ZINC001591711779 1076776991 /nfs/dbraw/zinc/77/69/91/1076776991.db2.gz JTMJVKRZTFAAIU-LLVKDONJSA-N 1 3 320.466 2.196 20 0 DEADHO CSc1ccc(C[NH2+][C@H](C)CCCC[NH3+])cc1-c1nn[n-]n1 ZINC001591711779 1076776994 /nfs/dbraw/zinc/77/69/94/1076776994.db2.gz JTMJVKRZTFAAIU-LLVKDONJSA-N 1 3 320.466 2.196 20 0 DEADHO Cc1cc(C[NH2+]C(C)(C)CCC[NH+](C)C)ccc1-c1nnn[n-]1 ZINC001591967791 1076820214 /nfs/dbraw/zinc/82/02/14/1076820214.db2.gz WIXQDKJMZNLJHW-UHFFFAOYSA-N 1 3 316.453 2.385 20 0 DEADHO Cc1cc(C[NH2+]C(C)(C)CCC[NH+](C)C)ccc1-c1nn[n-]n1 ZINC001591967791 1076820222 /nfs/dbraw/zinc/82/02/22/1076820222.db2.gz WIXQDKJMZNLJHW-UHFFFAOYSA-N 1 3 316.453 2.385 20 0 DEADHO C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001609123281 1077766966 /nfs/dbraw/zinc/76/69/66/1077766966.db2.gz FEKPUOBEDSTUAI-CYBMUJFWSA-N 1 3 314.437 2.392 20 0 DEADHO C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001609123281 1077766968 /nfs/dbraw/zinc/76/69/68/1077766968.db2.gz FEKPUOBEDSTUAI-CYBMUJFWSA-N 1 3 314.437 2.392 20 0 DEADHO C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001609123281 1077766973 /nfs/dbraw/zinc/76/69/73/1077766973.db2.gz FEKPUOBEDSTUAI-CYBMUJFWSA-N 1 3 314.437 2.392 20 0 DEADHO C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001609123281 1077766977 /nfs/dbraw/zinc/76/69/77/1077766977.db2.gz FEKPUOBEDSTUAI-CYBMUJFWSA-N 1 3 314.437 2.392 20 0 DEADHO CCC[NH2+]C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001484385323 1079577280 /nfs/dbraw/zinc/57/72/80/1079577280.db2.gz YDESOKKSIYFQDG-YJBOKZPZSA-N 1 3 317.477 2.456 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1CC[C@H]([NH2+]CCCF)CC1 ZINC001267932242 1079613452 /nfs/dbraw/zinc/61/34/52/1079613452.db2.gz GLQOWNFHEGBMBJ-KLHDSHLOSA-N 1 3 313.461 2.236 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCCC[C@]23CCC[NH2+]C3)c1 ZINC001650443002 1079627278 /nfs/dbraw/zinc/62/72/78/1079627278.db2.gz VDKPZUGIHQRNKX-LJQANCHMSA-N 1 3 315.461 2.497 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001650555350 1079716407 /nfs/dbraw/zinc/71/64/07/1079716407.db2.gz YLHLUEMQODNSJG-AWEZNQCLSA-N 1 3 310.486 2.033 20 0 DEADHO CCC1([NH2+]CCCF)CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001484812559 1079805988 /nfs/dbraw/zinc/80/59/88/1079805988.db2.gz BVAHGHSXNMVHQL-HNNXBMFYSA-N 1 3 315.477 2.293 20 0 DEADHO CCCCC[N@@H+]1CC[C@@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001481454856 1079884015 /nfs/dbraw/zinc/88/40/15/1079884015.db2.gz ZLLYZGJMXBYRNM-DLBZAZTESA-N 1 3 309.498 2.347 20 0 DEADHO CCCCC[N@H+]1CC[C@@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001481454856 1079884027 /nfs/dbraw/zinc/88/40/27/1079884027.db2.gz ZLLYZGJMXBYRNM-DLBZAZTESA-N 1 3 309.498 2.347 20 0 DEADHO CC/C=C/CC[NH2+]CC1CC(NC(=O)C2(N(C)C)CCC2)C1 ZINC001485095170 1079978128 /nfs/dbraw/zinc/97/81/28/1079978128.db2.gz YYXNAKWTRKFUND-AATRIKPKSA-N 1 3 307.482 2.311 20 0 DEADHO CC[C@@H](C(=O)N1CCC(C[N@H+](C)CC[C@@H](C)F)CC1)N(C)C ZINC001481520582 1079992253 /nfs/dbraw/zinc/99/22/53/1079992253.db2.gz VWFCDVNYBIPLKE-ZBFHGGJFSA-N 1 3 315.477 2.245 20 0 DEADHO CC[C@@H](C(=O)N1CCC(C[N@@H+](C)CC[C@@H](C)F)CC1)N(C)C ZINC001481520582 1079992259 /nfs/dbraw/zinc/99/22/59/1079992259.db2.gz VWFCDVNYBIPLKE-ZBFHGGJFSA-N 1 3 315.477 2.245 20 0 DEADHO C[NH+](C)C1CCN(CCNCc2cc(F)c(F)c(F)c2)CC1 ZINC001656680006 1080113208 /nfs/dbraw/zinc/11/32/08/1080113208.db2.gz CSCGJVCGKUIMAL-UHFFFAOYSA-N 1 3 315.383 2.220 20 0 DEADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]C/C=C\c2ccc(F)cc2)C1 ZINC001657153506 1080160457 /nfs/dbraw/zinc/16/04/57/1080160457.db2.gz HORODMYFOTUSEO-RKLPNKIQSA-N 1 3 319.424 2.016 20 0 DEADHO Cc1cc(F)ccc1C[N@@H+](C)CCCNC(=O)[C@H]1CCCN1C ZINC001660081533 1080262350 /nfs/dbraw/zinc/26/23/50/1080262350.db2.gz SITLJHFCCPRFAX-QGZVFWFLSA-N 1 3 321.440 2.166 20 0 DEADHO Cc1cc(F)ccc1C[N@H+](C)CCCNC(=O)[C@H]1CCCN1C ZINC001660081533 1080262355 /nfs/dbraw/zinc/26/23/55/1080262355.db2.gz SITLJHFCCPRFAX-QGZVFWFLSA-N 1 3 321.440 2.166 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCCCN(C)Cc2ccsc2)CC[N@@H+]1C ZINC001660150398 1080276800 /nfs/dbraw/zinc/27/68/00/1080276800.db2.gz QNENBTJPSIWUFA-JKSUJKDBSA-N 1 3 323.506 2.417 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCCCN(C)Cc2ccsc2)CC[N@H+]1C ZINC001660150398 1080276807 /nfs/dbraw/zinc/27/68/07/1080276807.db2.gz QNENBTJPSIWUFA-JKSUJKDBSA-N 1 3 323.506 2.417 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21 ZINC001485628292 1080341125 /nfs/dbraw/zinc/34/11/25/1080341125.db2.gz KHGZZUVCYLEDOS-NNZMDNLPSA-N 1 3 321.509 2.201 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCC3CCCC3)C[C@H]21 ZINC001485628292 1080341127 /nfs/dbraw/zinc/34/11/27/1080341127.db2.gz KHGZZUVCYLEDOS-NNZMDNLPSA-N 1 3 321.509 2.201 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001485658370 1080350917 /nfs/dbraw/zinc/35/09/17/1080350917.db2.gz UWHIXLFRWIKLJJ-ULQDDVLXSA-N 1 3 309.498 2.343 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001485658370 1080350921 /nfs/dbraw/zinc/35/09/21/1080350921.db2.gz UWHIXLFRWIKLJJ-ULQDDVLXSA-N 1 3 309.498 2.343 20 0 DEADHO C[N@H+](CCCC1CCC1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001485764545 1080419870 /nfs/dbraw/zinc/41/98/70/1080419870.db2.gz VKLAXMVIFDFSLT-UHFFFAOYSA-N 1 3 318.465 2.455 20 0 DEADHO C[N@@H+](CCCC1CCC1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001485764545 1080419877 /nfs/dbraw/zinc/41/98/77/1080419877.db2.gz VKLAXMVIFDFSLT-UHFFFAOYSA-N 1 3 318.465 2.455 20 0 DEADHO CN(C/C=C/Cl)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001485766230 1080421411 /nfs/dbraw/zinc/42/14/11/1080421411.db2.gz CVAYTFLAAFQLBJ-UFZAZABTSA-N 1 3 313.873 2.004 20 0 DEADHO CN(C/C=C/Cl)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001485766230 1080421413 /nfs/dbraw/zinc/42/14/13/1080421413.db2.gz CVAYTFLAAFQLBJ-UFZAZABTSA-N 1 3 313.873 2.004 20 0 DEADHO CC[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]C/C=C/Cl ZINC001481811589 1080525375 /nfs/dbraw/zinc/52/53/75/1080525375.db2.gz BDSMMRUNDAYHTK-MYSGNRETSA-N 1 3 315.889 2.488 20 0 DEADHO CCC[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001107029690 1080538391 /nfs/dbraw/zinc/53/83/91/1080538391.db2.gz YDESOKKSIYFQDG-CRAIPNDOSA-N 1 3 317.477 2.456 20 0 DEADHO CCCCC[NH2+]C[C@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001661946700 1080547917 /nfs/dbraw/zinc/54/79/17/1080547917.db2.gz NEHJYAZLHUWJIW-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO CC[C@@H](C(=O)NC/C=C\C[NH2+]C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001268592895 1080838389 /nfs/dbraw/zinc/83/83/89/1080838389.db2.gz LVENIBSPLDSGKQ-QJTIAFMVSA-N 1 3 317.424 2.024 20 0 DEADHO C[C@H](C[NH2+]CCCCC(F)(F)F)NC(=O)C1(N(C)C)CCC1 ZINC001268649894 1080915534 /nfs/dbraw/zinc/91/55/34/1080915534.db2.gz VGQXDQVVHDOBLK-GFCCVEGCSA-N 1 3 323.403 2.298 20 0 DEADHO CC/C=C/CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001664795714 1080961863 /nfs/dbraw/zinc/96/18/63/1080961863.db2.gz BNAKADFRVRWWBD-CSLAMCDYSA-N 1 3 307.482 2.217 20 0 DEADHO CC/C=C/CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001664795714 1080961866 /nfs/dbraw/zinc/96/18/66/1080961866.db2.gz BNAKADFRVRWWBD-CSLAMCDYSA-N 1 3 307.482 2.217 20 0 DEADHO CN(CC(=O)N(C)CCC[NH2+]C/C=C/Cl)CC(C)(C)C ZINC001268847809 1081018148 /nfs/dbraw/zinc/01/81/48/1081018148.db2.gz ODPIZGILIPRJLD-SOFGYWHQSA-N 1 3 303.878 2.155 20 0 DEADHO CC(C)(C(=O)N[C@@H](C[NH2+]CCCF)C1CC1)N1CCCCC1 ZINC001269071596 1081109078 /nfs/dbraw/zinc/10/90/78/1081109078.db2.gz MVEUUXDYOGPBIH-HNNXBMFYSA-N 1 3 313.461 2.095 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CCC1CC1 ZINC001667238392 1081228750 /nfs/dbraw/zinc/22/87/50/1081228750.db2.gz LQBGHVFLSSYJPE-SJORKVTESA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)(C(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCCF)N1CCCC1 ZINC001667743832 1081284040 /nfs/dbraw/zinc/28/40/40/1081284040.db2.gz LZACUSFUGKLSRI-CABCVRRESA-N 1 3 313.461 2.095 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H](CC[NH2+]C/C=C/Cl)C1 ZINC001269711971 1081342373 /nfs/dbraw/zinc/34/23/73/1081342373.db2.gz MOCCIWDAZCOOPM-GMLRFVCHSA-N 1 3 313.873 2.051 20 0 DEADHO CC(C)(C)CCC[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001270136724 1081458542 /nfs/dbraw/zinc/45/85/42/1081458542.db2.gz PYSUCMZHWFIUHT-OAHLLOKOSA-N 1 3 306.454 2.359 20 0 DEADHO CC[NH2+]CC[C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001672864389 1081713884 /nfs/dbraw/zinc/71/38/84/1081713884.db2.gz YXRAOYSNLZWDMU-WMLDXEAASA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CCC(F)(F)F)C1)N(C)C ZINC001672863294 1081713939 /nfs/dbraw/zinc/71/39/39/1081713939.db2.gz IYCIDFZXGSWLAT-OLZOCXBDSA-N 1 3 323.403 2.107 20 0 DEADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001482356865 1081757191 /nfs/dbraw/zinc/75/71/91/1081757191.db2.gz SJUKYORPMAUJOT-KBPBESRZSA-N 1 3 319.440 2.200 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[C@H](C[NH2+]CCF)CC1)N(C)C ZINC001271782979 1082153355 /nfs/dbraw/zinc/15/33/55/1082153355.db2.gz LVHOUJHVRAJJDJ-JYJNAYRXSA-N 1 3 315.477 2.054 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CCNC/C=C/Cl ZINC001266854146 1082398637 /nfs/dbraw/zinc/39/86/37/1082398637.db2.gz BUNJRWRKEGXMLH-OWNNVSBGSA-N 1 3 301.862 2.050 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)CCNC/C=C/Cl ZINC001266854146 1082398643 /nfs/dbraw/zinc/39/86/43/1082398643.db2.gz BUNJRWRKEGXMLH-OWNNVSBGSA-N 1 3 301.862 2.050 20 0 DEADHO Cc1cccc([C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]2CCCN2C)c1 ZINC001483045440 1082657361 /nfs/dbraw/zinc/65/73/61/1082657361.db2.gz XCJQRZFURJINEU-HRMTXBTBSA-N 1 3 315.461 2.412 20 0 DEADHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(Cl)cc1 ZINC001483045743 1082657782 /nfs/dbraw/zinc/65/77/82/1082657782.db2.gz YJVDVAGVWWLFGI-WOMSROEHSA-N 1 3 321.852 2.196 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccsc1 ZINC001483197588 1082800619 /nfs/dbraw/zinc/80/06/19/1082800619.db2.gz MYAIRZQVMJTSLT-HIFRSBDPSA-N 1 3 309.479 2.217 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCF)N1CCCCC1 ZINC001272261930 1082843445 /nfs/dbraw/zinc/84/34/45/1082843445.db2.gz MBEPAPKMTKMAAX-HUUCEWRRSA-N 1 3 313.461 2.095 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CC1CC1 ZINC001409455393 1082899249 /nfs/dbraw/zinc/89/92/49/1082899249.db2.gz UMLOCXZEVZCGPQ-INIZCTEOSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001483266902 1083065241 /nfs/dbraw/zinc/06/52/41/1083065241.db2.gz AKCLANNJZHMTLY-BBRMVZONSA-N 1 3 309.429 2.069 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1cccc(C)c1)N(C)C ZINC001483267409 1083065286 /nfs/dbraw/zinc/06/52/86/1083065286.db2.gz KAWLRQJWILLJFB-ZOBUZTSGSA-N 1 3 305.466 2.491 20 0 DEADHO CN(C)c1ccncc1CNC[C@@H](Cc1ccccc1)[NH+](C)C ZINC001413119171 1083369253 /nfs/dbraw/zinc/36/92/53/1083369253.db2.gz SHHWDACOFXPGIU-GOSISDBHSA-N 1 3 312.461 2.410 20 0 DEADHO C[C@@H](C(=O)N1C[C@@H](C)N(Cc2ccccc2)[C@H](C)[C@H]1C)[NH+](C)C ZINC001413220732 1083448149 /nfs/dbraw/zinc/44/81/49/1083448149.db2.gz DAFVACGXLSLXPA-VQHPVUNQSA-N 1 3 317.477 2.446 20 0 DEADHO Cc1nc(C)c(CN[C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)[nH]1 ZINC001276570844 1083494397 /nfs/dbraw/zinc/49/43/97/1083494397.db2.gz YEVBZUJNODSGIR-MSOLQXFVSA-N 1 3 319.497 2.113 20 0 DEADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCC1)CC2 ZINC001107617735 1083522616 /nfs/dbraw/zinc/52/26/16/1083522616.db2.gz QQRMAWPDMRIBJZ-IEBWSBKVSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCC1)CC2 ZINC001107617735 1083522625 /nfs/dbraw/zinc/52/26/25/1083522625.db2.gz QQRMAWPDMRIBJZ-IEBWSBKVSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCCF)CC2 ZINC001107646829 1083562609 /nfs/dbraw/zinc/56/26/09/1083562609.db2.gz XZFUKCAIXNCXOY-NVXWUHKLSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCF)CC2 ZINC001107646829 1083562620 /nfs/dbraw/zinc/56/26/20/1083562620.db2.gz XZFUKCAIXNCXOY-NVXWUHKLSA-N 1 3 313.461 2.047 20 0 DEADHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC001203456438 1083645586 /nfs/dbraw/zinc/64/55/86/1083645586.db2.gz YWNKNVGXULYJLU-UHFFFAOYSA-N 1 3 303.450 2.109 20 0 DEADHO CN(C)c1ccc(CN2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c(F)n1 ZINC001276865359 1083653852 /nfs/dbraw/zinc/65/38/52/1083653852.db2.gz XGPQHDNCXYCVMS-OKILXGFUSA-N 1 3 306.429 2.060 20 0 DEADHO CN(C)c1ccc(CN2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c(F)n1 ZINC001276865359 1083653857 /nfs/dbraw/zinc/65/38/57/1083653857.db2.gz XGPQHDNCXYCVMS-OKILXGFUSA-N 1 3 306.429 2.060 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN1CCC1=CCCCC1 ZINC001276950237 1083697346 /nfs/dbraw/zinc/69/73/46/1083697346.db2.gz QMEGYTUFHBABPH-KRWDZBQOSA-N 1 3 307.482 2.409 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1CCC1=CCCCC1 ZINC001276950237 1083697348 /nfs/dbraw/zinc/69/73/48/1083697348.db2.gz QMEGYTUFHBABPH-KRWDZBQOSA-N 1 3 307.482 2.409 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001493232703 1083716318 /nfs/dbraw/zinc/71/63/18/1083716318.db2.gz GSHVGQZSNQVONR-OAHLLOKOSA-N 1 3 323.868 2.230 20 0 DEADHO [NH3+]C[C@]1(O)CCCN(CCc2ccc(F)cc2Cl)CC1 ZINC001205210463 1083796587 /nfs/dbraw/zinc/79/65/87/1083796587.db2.gz OGVZHFRGAAJWME-HNNXBMFYSA-N 1 3 300.805 2.197 20 0 DEADHO NC(=O)C1=CC2(CC1)CC[NH+](CCCN1CCCCC1)CC2 ZINC001277182279 1083834227 /nfs/dbraw/zinc/83/42/27/1083834227.db2.gz BYWVHSMLUDJPQE-UHFFFAOYSA-N 1 3 305.466 2.150 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC[NH2+][C@H](C)C3)C2)cc1 ZINC001649045494 1084036631 /nfs/dbraw/zinc/03/66/31/1084036631.db2.gz FWBWNLRTMFFDRN-NXHRZFHOSA-N 1 3 315.461 2.074 20 0 DEADHO CC(C)=CC[NH2+][C@H](CCNC(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001277587708 1084046586 /nfs/dbraw/zinc/04/65/86/1084046586.db2.gz URJBIKORQMZJKH-IAGOWNOFSA-N 1 3 309.498 2.415 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(CC)c2)C1 ZINC001491073831 1084055789 /nfs/dbraw/zinc/05/57/89/1084055789.db2.gz VGITUYBVZWWSFB-HDICACEKSA-N 1 3 317.477 2.328 20 0 DEADHO CN(CC(=O)N1CCC[C@@H](C[NH2+]CCCF)C1)CC(C)(C)C ZINC001491174217 1084128988 /nfs/dbraw/zinc/12/89/88/1084128988.db2.gz WXNBFFURTHVPBM-HNNXBMFYSA-N 1 3 315.477 2.152 20 0 DEADHO CC(C)Oc1c(F)cccc1CN1CCC[C@](O)(C[NH3+])CC1 ZINC001205247512 1084134372 /nfs/dbraw/zinc/13/43/72/1084134372.db2.gz IKJSDCXHYYZYFF-QGZVFWFLSA-N 1 3 310.413 2.289 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CCF)C1CC1 ZINC001485829866 1084139792 /nfs/dbraw/zinc/13/97/92/1084139792.db2.gz UHQHDTIHWMTVKR-JKSUJKDBSA-N 1 3 313.461 2.045 20 0 DEADHO CN(C)CC[NH+]1CC2(C1)CCN(COCc1ccccc1)CC2 ZINC001277898838 1084217460 /nfs/dbraw/zinc/21/74/60/1084217460.db2.gz PWYHIJBWLREQDU-UHFFFAOYSA-N 1 3 317.477 2.120 20 0 DEADHO CCCCC[NH+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001272817910 1084251293 /nfs/dbraw/zinc/25/12/93/1084251293.db2.gz VGFLBNGVXIWCLW-UHFFFAOYSA-N 1 3 304.438 2.067 20 0 DEADHO CCOC(=O)c1ccc(CCCN2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235033508 1084282046 /nfs/dbraw/zinc/28/20/46/1084282046.db2.gz XLQNAQWSUBXWTJ-LJQANCHMSA-N 1 3 316.445 2.481 20 0 DEADHO CCc1cccc(CN2CCN(CC3CC[NH+](C)CC3)CC2)n1 ZINC001235267360 1084365594 /nfs/dbraw/zinc/36/55/94/1084365594.db2.gz RFCUTEIHNVTOHY-UHFFFAOYSA-N 1 3 316.493 2.103 20 0 DEADHO Fc1ccccc1CN1CCN(CCC2CC[NH2+]CC2)CC1 ZINC001235691002 1084501637 /nfs/dbraw/zinc/50/16/37/1084501637.db2.gz IRCLTMIQFARATL-UHFFFAOYSA-N 1 3 305.441 2.333 20 0 DEADHO CC[NH2+]CCN1CCN[C@H](c2cccc(Br)c2)C1 ZINC001235793487 1084531764 /nfs/dbraw/zinc/53/17/64/1084531764.db2.gz IHRZAHUWOQTDEQ-AWEZNQCLSA-N 1 3 312.255 2.005 20 0 DEADHO N[C@H]1CN(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC[C@H]1F ZINC001235907304 1084560609 /nfs/dbraw/zinc/56/06/09/1084560609.db2.gz WJAKWTGLNXBQBT-KSZLIROESA-N 1 3 305.441 2.412 20 0 DEADHO N[C@H]1CN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC[C@H]1F ZINC001235907304 1084560614 /nfs/dbraw/zinc/56/06/14/1084560614.db2.gz WJAKWTGLNXBQBT-KSZLIROESA-N 1 3 305.441 2.412 20 0 DEADHO Fc1ccc(C[C@@H]2CCC[N@H+](CC[C@@H]3CNCCO3)C2)cc1 ZINC001236009933 1084590342 /nfs/dbraw/zinc/59/03/42/1084590342.db2.gz ZQFZBZGJTKYRAU-FUHWJXTLSA-N 1 3 306.425 2.459 20 0 DEADHO Fc1ccc(C[C@@H]2CCC[N@@H+](CC[C@@H]3CNCCO3)C2)cc1 ZINC001236009933 1084590349 /nfs/dbraw/zinc/59/03/49/1084590349.db2.gz ZQFZBZGJTKYRAU-FUHWJXTLSA-N 1 3 306.425 2.459 20 0 DEADHO [NH3+]CC1CCN(Cc2cnc(-c3ccccc3F)nc2)CC1 ZINC001205041495 1084608239 /nfs/dbraw/zinc/60/82/39/1084608239.db2.gz VFYZWYUWFHGMHW-UHFFFAOYSA-N 1 3 300.381 2.453 20 0 DEADHO CCC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)N2CCCC2)C12CCC2 ZINC001078695649 1084828459 /nfs/dbraw/zinc/82/84/59/1084828459.db2.gz POCRYRSZOHZMFZ-CABCVRRESA-N 1 3 307.482 2.288 20 0 DEADHO CC[NH2+][C@@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C12CCC2 ZINC001078819830 1084899242 /nfs/dbraw/zinc/89/92/42/1084899242.db2.gz RWQQMKYYWIURMA-IAGOWNOFSA-N 1 3 315.461 2.399 20 0 DEADHO Cc1ccc(CN2CCC[C@H](NC(=O)CC[NH+](C)C)[C@@H]2C)cc1 ZINC001486178863 1085108113 /nfs/dbraw/zinc/10/81/13/1085108113.db2.gz GBRGYNAAPURFPN-WMZOPIPTSA-N 1 3 317.477 2.416 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(CC)CC)C[C@H]21 ZINC000960174716 1085138507 /nfs/dbraw/zinc/13/85/07/1085138507.db2.gz LGAMVSNKLXAIGP-XDNAFOTISA-N 1 3 321.509 2.343 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(CC)CC)C[C@H]21 ZINC000960174716 1085138515 /nfs/dbraw/zinc/13/85/15/1085138515.db2.gz LGAMVSNKLXAIGP-XDNAFOTISA-N 1 3 321.509 2.343 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C[NH2+]C/C=C\Cl)C(C)(C)C ZINC001486420076 1085293355 /nfs/dbraw/zinc/29/33/55/1085293355.db2.gz PNVHEHSVFQGUBM-WSROAFLRSA-N 1 3 303.878 2.201 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]CC[C@H](C)F)C(C)(C)C ZINC001486424482 1085298078 /nfs/dbraw/zinc/29/80/78/1085298078.db2.gz NPMUKDUZKHNNAG-KBPBESRZSA-N 1 3 303.466 2.195 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC(C)(C)C1 ZINC000960484623 1085308718 /nfs/dbraw/zinc/30/87/18/1085308718.db2.gz AHATXULBGOJQEH-IAGOWNOFSA-N 1 3 321.509 2.440 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC(C)(C)C1 ZINC000960484623 1085308726 /nfs/dbraw/zinc/30/87/26/1085308726.db2.gz AHATXULBGOJQEH-IAGOWNOFSA-N 1 3 321.509 2.440 20 0 DEADHO Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)CN2CC[C@H](C)C2)cs1 ZINC001273019812 1085981678 /nfs/dbraw/zinc/98/16/78/1085981678.db2.gz ZXUBHZLSKKAMOV-UONOGXRCSA-N 1 3 323.506 2.383 20 0 DEADHO C[C@H]1CCCN1CC(=O)NC1CC(C[NH2+]CC2CC(C)(C)C2)C1 ZINC000962306657 1086060794 /nfs/dbraw/zinc/06/07/94/1086060794.db2.gz PTLPRMZWUBYCBR-UQPPLGOBSA-N 1 3 321.509 2.391 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1ccc(C)c(C)c1 ZINC001168756144 1086516852 /nfs/dbraw/zinc/51/68/52/1086516852.db2.gz VQRBMQVALJANJV-UHFFFAOYSA-N 1 3 305.466 2.241 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+]CC1CCC2(CC2)CC1 ZINC001168763614 1087442856 /nfs/dbraw/zinc/44/28/56/1087442856.db2.gz QTYRUTCJPYMUOD-UHFFFAOYSA-N 1 3 309.498 2.395 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+]CCCc1ccccc1C ZINC001168763677 1087449200 /nfs/dbraw/zinc/44/92/00/1087449200.db2.gz RMGOEPQVUXHSPH-UHFFFAOYSA-N 1 3 319.493 2.365 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC2(CC1)CC[NH+](CC1CC1)CC2 ZINC000957612204 1088459053 /nfs/dbraw/zinc/45/90/53/1088459053.db2.gz JWIDFKIZGOPEET-UHFFFAOYSA-N 1 3 316.449 2.067 20 0 DEADHO C[C@@H]1C[N@H+](CC2CCC2)C[C@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC001080188576 1088667548 /nfs/dbraw/zinc/66/75/48/1088667548.db2.gz LXKNFIGUNDHFSE-OLMNPRSZSA-N 1 3 319.493 2.097 20 0 DEADHO C[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC001080188576 1088667565 /nfs/dbraw/zinc/66/75/65/1088667565.db2.gz LXKNFIGUNDHFSE-OLMNPRSZSA-N 1 3 319.493 2.097 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]C/C=C\Cl ZINC001273201235 1088782536 /nfs/dbraw/zinc/78/25/36/1088782536.db2.gz BPSXVJJMFUJQEY-MVUUYHCISA-N 1 3 301.862 2.098 20 0 DEADHO CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC001080318329 1088815875 /nfs/dbraw/zinc/81/58/75/1088815875.db2.gz NZOBEHKKBMSGGQ-OIISXLGYSA-N 1 3 307.482 2.240 20 0 DEADHO CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC001080318329 1088815892 /nfs/dbraw/zinc/81/58/92/1088815892.db2.gz NZOBEHKKBMSGGQ-OIISXLGYSA-N 1 3 307.482 2.240 20 0 DEADHO CCC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)CN3CCC[C@H]3C)[C@@H]2C1 ZINC001114832225 1088928464 /nfs/dbraw/zinc/92/84/64/1088928464.db2.gz NMFOBGXWNOCARK-UGFVRZLBSA-N 1 3 319.493 2.264 20 0 DEADHO CCC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)CN3CCC[C@H]3C)[C@@H]2C1 ZINC001114832225 1088928467 /nfs/dbraw/zinc/92/84/67/1088928467.db2.gz NMFOBGXWNOCARK-UGFVRZLBSA-N 1 3 319.493 2.264 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001080993770 1089279116 /nfs/dbraw/zinc/27/91/16/1089279116.db2.gz VZZGFUPIFSDCJO-CRAIPNDOSA-N 1 3 317.477 2.454 20 0 DEADHO CC(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001080993770 1089279126 /nfs/dbraw/zinc/27/91/26/1089279126.db2.gz VZZGFUPIFSDCJO-CRAIPNDOSA-N 1 3 317.477 2.454 20 0 DEADHO CC[C@H](N)C(=O)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000719951449 1089418866 /nfs/dbraw/zinc/41/88/66/1089418866.db2.gz ANSADVYELWDNMQ-SJORKVTESA-N 1 3 303.450 2.237 20 0 DEADHO CC[C@H](N)C(=O)N(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000719951449 1089418874 /nfs/dbraw/zinc/41/88/74/1089418874.db2.gz ANSADVYELWDNMQ-SJORKVTESA-N 1 3 303.450 2.237 20 0 DEADHO CC[C@H]([NH3+])C(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1 ZINC000719951449 1089418883 /nfs/dbraw/zinc/41/88/83/1089418883.db2.gz ANSADVYELWDNMQ-SJORKVTESA-N 1 3 303.450 2.237 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CC1CCCCC1 ZINC001082742772 1090066774 /nfs/dbraw/zinc/06/67/74/1090066774.db2.gz RCZIRHDIWIGILH-LZLYRXPVSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(CC=C(C)C)C[C@H]32)CC[N@@H+]1C ZINC001084357306 1090274285 /nfs/dbraw/zinc/27/42/85/1090274285.db2.gz UAGWRQYIKQYLKZ-XMTFNYHQSA-N 1 3 319.493 2.216 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(CC=C(C)C)C[C@H]32)CC[N@H+]1C ZINC001084357306 1090274294 /nfs/dbraw/zinc/27/42/94/1090274294.db2.gz UAGWRQYIKQYLKZ-XMTFNYHQSA-N 1 3 319.493 2.216 20 0 DEADHO CC(C)=CCN1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001084851154 1090474577 /nfs/dbraw/zinc/47/45/77/1090474577.db2.gz PBJLNVMRIFJJED-QZTJIDSGSA-N 1 3 319.493 2.361 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)[C@@H]2C1 ZINC001084852105 1090475770 /nfs/dbraw/zinc/47/57/70/1090475770.db2.gz GNTBLYIJOBSTKW-SJLPKXTDSA-N 1 3 315.461 2.303 20 0 DEADHO CC(C)[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)[C@@H]2C1 ZINC001084852105 1090475775 /nfs/dbraw/zinc/47/57/75/1090475775.db2.gz GNTBLYIJOBSTKW-SJLPKXTDSA-N 1 3 315.461 2.303 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001410312821 1090540926 /nfs/dbraw/zinc/54/09/26/1090540926.db2.gz MOOHCURJBQDGHO-GJZGRUSLSA-N 1 3 313.461 2.045 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]C/C=C\CNC(=O)CN(C)C(C)C ZINC001274611945 1091324972 /nfs/dbraw/zinc/32/49/72/1091324972.db2.gz XNKHAYBNIAKFBX-WAYWQWQTSA-N 1 3 321.440 2.236 20 0 DEADHO c1n[nH]cc1CN1CC[C@H]2C[N@H+](C[C@@H]3CCC=CO3)C[C@H]2CC1 ZINC001274892498 1091466503 /nfs/dbraw/zinc/46/65/03/1091466503.db2.gz CRZZOBJFYIVCDE-KSZLIROESA-N 1 3 316.449 2.246 20 0 DEADHO c1n[nH]cc1CN1CC[C@H]2C[N@@H+](C[C@@H]3CCC=CO3)C[C@H]2CC1 ZINC001274892498 1091466507 /nfs/dbraw/zinc/46/65/07/1091466507.db2.gz CRZZOBJFYIVCDE-KSZLIROESA-N 1 3 316.449 2.246 20 0 DEADHO C[NH+](C)CCN1CCC2(CN(CCc3ccc(F)c(F)c3)C2)C1 ZINC001274993044 1091508231 /nfs/dbraw/zinc/50/82/31/1091508231.db2.gz LTXHZUNFWBGWLM-UHFFFAOYSA-N 1 3 323.431 2.077 20 0 DEADHO c1cn(CCN2CC[C@]3(C2)CCC[N@H+](Cc2cc[nH]c2)C3)cn1 ZINC001276101619 1091550027 /nfs/dbraw/zinc/55/00/27/1091550027.db2.gz CXWMTPFXEMANJY-SFHVURJKSA-N 1 3 313.449 2.199 20 0 DEADHO c1cn(CCN2CC[C@]3(C2)CCC[N@@H+](Cc2cc[nH]c2)C3)cn1 ZINC001276101619 1091550033 /nfs/dbraw/zinc/55/00/33/1091550033.db2.gz CXWMTPFXEMANJY-SFHVURJKSA-N 1 3 313.449 2.199 20 0 DEADHO COCCOC[NH2+][C@@]12CC[C@@](NCc3cc[nH]c3)(C1)CCC2 ZINC001276101755 1091551424 /nfs/dbraw/zinc/55/14/24/1091551424.db2.gz JMDDIOCFOFFLEX-SJORKVTESA-N 1 3 307.438 2.160 20 0 DEADHO Cc1ncoc1CN1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276215295 1091712196 /nfs/dbraw/zinc/71/21/96/1091712196.db2.gz DYDYRWHGPGLCDG-UHFFFAOYSA-N 1 3 315.421 2.194 20 0 DEADHO Cc1ncoc1CN1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276215295 1091712204 /nfs/dbraw/zinc/71/22/04/1091712204.db2.gz DYDYRWHGPGLCDG-UHFFFAOYSA-N 1 3 315.421 2.194 20 0 DEADHO CN(C)CC[N@@H+]1CCC2(CN(Cc3cccc4ncccc34)C2)C1 ZINC001276287549 1091766242 /nfs/dbraw/zinc/76/62/42/1091766242.db2.gz YACUZAYRYXCXHU-UHFFFAOYSA-N 1 3 324.472 2.304 20 0 DEADHO CN(C)CC[N@H+]1CCC2(CN(Cc3cccc4ncccc34)C2)C1 ZINC001276287549 1091766251 /nfs/dbraw/zinc/76/62/51/1091766251.db2.gz YACUZAYRYXCXHU-UHFFFAOYSA-N 1 3 324.472 2.304 20 0 DEADHO CN1C[C@@H]2CCN(C(=O)c3ccccc3C[NH+]3CCCC3)[C@@H]2C1 ZINC001275538352 1091838987 /nfs/dbraw/zinc/83/89/87/1091838987.db2.gz WWGNORSYJPQNLJ-FUHWJXTLSA-N 1 3 313.445 2.059 20 0 DEADHO CN(C)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2C[C@@H]1CC=CCC1 ZINC001273517180 1091897131 /nfs/dbraw/zinc/89/71/31/1091897131.db2.gz YYXYTWKPTXFZSS-MJGOQNOKSA-N 1 3 319.493 2.361 20 0 DEADHO CN(C)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2C[C@@H]1CC=CCC1 ZINC001273517180 1091897140 /nfs/dbraw/zinc/89/71/40/1091897140.db2.gz YYXYTWKPTXFZSS-MJGOQNOKSA-N 1 3 319.493 2.361 20 0 DEADHO CCCN1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000948985073 1092020641 /nfs/dbraw/zinc/02/06/41/1092020641.db2.gz BSXNYBVJHIYNPZ-FUHWJXTLSA-N 1 3 315.461 2.064 20 0 DEADHO CCCN1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000948985073 1092020650 /nfs/dbraw/zinc/02/06/50/1092020650.db2.gz BSXNYBVJHIYNPZ-FUHWJXTLSA-N 1 3 315.461 2.064 20 0 DEADHO CN(C)CCN1CC[C@@]2(CCC[N@H+](CCCCF)CC2)C1=O ZINC001273755739 1092031674 /nfs/dbraw/zinc/03/16/74/1092031674.db2.gz SULGZEBECGSKRL-KRWDZBQOSA-N 1 3 313.461 2.002 20 0 DEADHO CN(C)CCN1CC[C@@]2(CCC[N@@H+](CCCCF)CC2)C1=O ZINC001273755739 1092031685 /nfs/dbraw/zinc/03/16/85/1092031685.db2.gz SULGZEBECGSKRL-KRWDZBQOSA-N 1 3 313.461 2.002 20 0 DEADHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3ccoc3)(C1)CCC2 ZINC001275946595 1092363584 /nfs/dbraw/zinc/36/35/84/1092363584.db2.gz PNJZBXQLECVVPW-SJORKVTESA-N 1 3 308.422 2.425 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001488858109 1092781984 /nfs/dbraw/zinc/78/19/84/1092781984.db2.gz HKPKZOHTEIUWRM-ZOBUZTSGSA-N 1 3 321.509 2.249 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]([NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001490742271 1093500745 /nfs/dbraw/zinc/50/07/45/1093500745.db2.gz NUISSROTNQBVAS-INIZCTEOSA-N 1 3 309.498 2.247 20 0 DEADHO CC(C)[NH2+]C1(CO)CCN(C[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000878668075 1093681425 /nfs/dbraw/zinc/68/14/25/1093681425.db2.gz KBZBTSVZJLDIPB-OAHLLOKOSA-N 1 3 312.498 2.405 20 0 DEADHO CC(C)NC1(CO)CC[NH+](C[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000878668075 1093681427 /nfs/dbraw/zinc/68/14/27/1093681427.db2.gz KBZBTSVZJLDIPB-OAHLLOKOSA-N 1 3 312.498 2.405 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CCC(CN(C)C/C=C/Cl)CC1 ZINC001420965827 1171385638 /nfs/dbraw/zinc/38/56/38/1171385638.db2.gz ZSYLQJBWPRTNIV-WEVVVXLNSA-N 1 3 315.889 2.251 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CCC(CN(C)C/C=C/Cl)CC1 ZINC001420965827 1171385639 /nfs/dbraw/zinc/38/56/39/1171385639.db2.gz ZSYLQJBWPRTNIV-WEVVVXLNSA-N 1 3 315.889 2.251 20 0 DEADHO CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001421295456 1171686316 /nfs/dbraw/zinc/68/63/16/1171686316.db2.gz GFQSDTFWNSBILF-FUHWJXTLSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001421295456 1171686331 /nfs/dbraw/zinc/68/63/31/1171686331.db2.gz GFQSDTFWNSBILF-FUHWJXTLSA-N 1 3 309.498 2.488 20 0 DEADHO COc1ccc(C[N@H+](CCCCCO)C2CCNCC2)cc1 ZINC001236439486 1138363344 /nfs/dbraw/zinc/36/33/44/1138363344.db2.gz GPNOBVWPDZBRIY-UHFFFAOYSA-N 1 3 306.450 2.412 20 0 DEADHO COc1ccc(C[N@@H+](CCCCCO)C2CCNCC2)cc1 ZINC001236439486 1138363351 /nfs/dbraw/zinc/36/33/51/1138363351.db2.gz GPNOBVWPDZBRIY-UHFFFAOYSA-N 1 3 306.450 2.412 20 0 DEADHO COc1ccc(CN(CCCCCO)C2CC[NH2+]CC2)cc1 ZINC001236439486 1138363356 /nfs/dbraw/zinc/36/33/56/1138363356.db2.gz GPNOBVWPDZBRIY-UHFFFAOYSA-N 1 3 306.450 2.412 20 0 DEADHO CCC[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001278006086 1138409274 /nfs/dbraw/zinc/40/92/74/1138409274.db2.gz PVCIIRRKKWHKPX-KRWDZBQOSA-N 1 3 303.450 2.352 20 0 DEADHO CCN(C(=O)[C@@H]1CC12CN(CC1(C)CC[NH+](C)CC1)C2)C(C)C ZINC001278022208 1138445610 /nfs/dbraw/zinc/44/56/10/1138445610.db2.gz RHVXSVFOVSXFRD-INIZCTEOSA-N 1 3 321.509 2.297 20 0 DEADHO C[NH+]1CCC(C)(CN2CC[C@H]3C[C@]32C(=O)NC(C)(C)C)CC1 ZINC001278022663 1138447241 /nfs/dbraw/zinc/44/72/41/1138447241.db2.gz YJWQAKJOIITLPL-KBXCAEBGSA-N 1 3 307.482 2.097 20 0 DEADHO c1c[nH]c(CN2CC[C@@]3(C2)CCC[N@@H+](CCN2CCCC2)C3)c1 ZINC001278060481 1138512986 /nfs/dbraw/zinc/51/29/86/1138512986.db2.gz UJDJHGYANLPLOU-IBGZPJMESA-N 1 3 316.493 2.398 20 0 DEADHO c1c[nH]c(CN2CC[C@@]3(C2)CCC[N@H+](CCN2CCCC2)C3)c1 ZINC001278060481 1138512993 /nfs/dbraw/zinc/51/29/93/1138512993.db2.gz UJDJHGYANLPLOU-IBGZPJMESA-N 1 3 316.493 2.398 20 0 DEADHO COc1ccc2c(c1)[nH]nc2CN(C)CC1CC[NH+](C)CC1 ZINC001237387007 1138600563 /nfs/dbraw/zinc/60/05/63/1138600563.db2.gz BRNFBRXRAUJAOJ-UHFFFAOYSA-N 1 3 302.422 2.345 20 0 DEADHO CN(C)Cc1cc(F)cc(CN2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237410857 1138615150 /nfs/dbraw/zinc/61/51/50/1138615150.db2.gz DKHLVNLBCNMZFD-FUHWJXTLSA-N 1 3 305.441 2.461 20 0 DEADHO CCCCc1ccc(NC(=O)NCCC[NH2+]CCCN)cc1 ZINC001239253237 1139005128 /nfs/dbraw/zinc/00/51/28/1139005128.db2.gz UQWZYQXGFJDJKH-UHFFFAOYSA-N 1 3 306.454 2.479 20 0 DEADHO CCCCOc1ccc(NC(=O)NCCC[NH2+]CCCN)cc1 ZINC001239253154 1139005642 /nfs/dbraw/zinc/00/56/42/1139005642.db2.gz POKVONFRYLEOHR-UHFFFAOYSA-N 1 3 322.453 2.316 20 0 DEADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccsc1 ZINC001491579326 1140173069 /nfs/dbraw/zinc/17/30/69/1140173069.db2.gz KOBWWVCLHCKOME-ZDUSSCGKSA-N 1 3 311.495 2.320 20 0 DEADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC1=CCCCC1 ZINC001318532074 1140361551 /nfs/dbraw/zinc/36/15/51/1140361551.db2.gz XOXDHQCSFXJZGX-MRXNPFEDSA-N 1 3 307.482 2.456 20 0 DEADHO CC[C@H](CNC(=O)[C@@H]1CCCCN1C(C)C)[NH2+]C/C=C\Cl ZINC001421459116 1171808360 /nfs/dbraw/zinc/80/83/60/1171808360.db2.gz XIUBZXHRHZZFOY-MJYKILKPSA-N 1 3 315.889 2.486 20 0 DEADHO CC[C@H](C(=O)N1CCC(CC[NH2+]CC[C@H](C)F)CC1)N(C)C ZINC001318896331 1140458249 /nfs/dbraw/zinc/45/82/49/1140458249.db2.gz UISNRXJQOJMKHO-GOEBONIOSA-N 1 3 315.477 2.293 20 0 DEADHO CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001319534543 1140611121 /nfs/dbraw/zinc/61/11/21/1140611121.db2.gz QAAHAPPXMISEBM-YOEHRIQHSA-N 1 3 315.477 2.436 20 0 DEADHO CC(C)(C)c1ccc(OC[C@H](O)CNC[C@@H]2CCC[NH2+]C2)cc1 ZINC001245984080 1140841165 /nfs/dbraw/zinc/84/11/65/1140841165.db2.gz UZEFLXAOVADPLG-NVXWUHKLSA-N 1 3 320.477 2.313 20 0 DEADHO C[C@]1(C[NH3+])CCCCN(C[C@@H](O)COc2cccc(F)c2)C1 ZINC001246018313 1140847683 /nfs/dbraw/zinc/84/76/83/1140847683.db2.gz ASWZRNRUTGHTQT-NVXWUHKLSA-N 1 3 310.413 2.016 20 0 DEADHO O[C@]1(CN2CCC(CCc3ccccc3)CC2)CCC[NH2+]C1 ZINC001246046269 1140853059 /nfs/dbraw/zinc/85/30/59/1140853059.db2.gz ZBSSIPPSWMWTQU-LJQANCHMSA-N 1 3 302.462 2.446 20 0 DEADHO O[C@]1(CN[C@@H]2CCc3cc(Cl)ccc3C2)CCCC[NH2+]C1 ZINC001246090989 1140860227 /nfs/dbraw/zinc/86/02/27/1140860227.db2.gz CLBCLQOJLQSGER-IAGOWNOFSA-N 1 3 308.853 2.292 20 0 DEADHO O[C@]1(C[NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CCCCNC1 ZINC001246090989 1140860228 /nfs/dbraw/zinc/86/02/28/1140860228.db2.gz CLBCLQOJLQSGER-IAGOWNOFSA-N 1 3 308.853 2.292 20 0 DEADHO Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]C[C@@H]2CSCCN2)CCN1 ZINC001246333829 1140884710 /nfs/dbraw/zinc/88/47/10/1140884710.db2.gz ARPLWLXRQKIQAO-UXLLHSPISA-N 1 3 323.481 2.222 20 0 DEADHO Cc1cccnc1C1(CN[C@@H]2CC[NH2+][C@@H](C)C2)CCOCC1 ZINC001246436987 1140899064 /nfs/dbraw/zinc/89/90/64/1140899064.db2.gz CEVHXADFIQJTBX-JKSUJKDBSA-N 1 3 303.450 2.168 20 0 DEADHO Cc1cccnc1C1(C[NH2+][C@@H]2CCN[C@@H](C)C2)CCOCC1 ZINC001246436987 1140899066 /nfs/dbraw/zinc/89/90/66/1140899066.db2.gz CEVHXADFIQJTBX-JKSUJKDBSA-N 1 3 303.450 2.168 20 0 DEADHO c1ccc(OC2CCC(N3CCN[C@@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC001246638023 1141017554 /nfs/dbraw/zinc/01/75/54/1141017554.db2.gz RJPXCQPPSUEGIO-NKELODKYSA-N 1 3 315.461 2.014 20 0 DEADHO Cc1ccc(CN2CC[C@@H]3[C@@H]2CCN3[C@@H]2CC[C@@H](C)[NH2+]C2)o1 ZINC001246705141 1141040593 /nfs/dbraw/zinc/04/05/93/1141040593.db2.gz JLHQALDQLFBQKI-LFVTVUPYSA-N 1 3 303.450 2.377 20 0 DEADHO C[NH2+]CC[C@@H](C)N1CC[C@]2(CC(=O)N(c3ccc(C)cc3)C2)C1 ZINC001246769189 1141053200 /nfs/dbraw/zinc/05/32/00/1141053200.db2.gz DYAZDRBZWXIAAO-APWZRJJASA-N 1 3 315.461 2.422 20 0 DEADHO C[C@@H]1C[C@@H](N(Cc2ccccc2)[C@@H]2CCNC[C@H]2F)CC[NH2+]1 ZINC001246833235 1141078912 /nfs/dbraw/zinc/07/89/12/1141078912.db2.gz KALLOSSADWZAJQ-BZZMCLGOSA-N 1 3 305.441 2.329 20 0 DEADHO NC(=S)C1CC[NH+]([C@@H]2CCN[C@H](Cc3ccccc3)C2)CC1 ZINC001246900722 1141112466 /nfs/dbraw/zinc/11/24/66/1141112466.db2.gz WXQSNMTXYVXWQZ-IAGOWNOFSA-N 1 3 317.502 2.348 20 0 DEADHO NC(=S)C1CCN([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC1 ZINC001246900722 1141112482 /nfs/dbraw/zinc/11/24/82/1141112482.db2.gz WXQSNMTXYVXWQZ-IAGOWNOFSA-N 1 3 317.502 2.348 20 0 DEADHO O=C(CN1CCCC1)NC/C=C\C[NH2+]Cc1ccc(CF)cc1 ZINC001321401521 1141229290 /nfs/dbraw/zinc/22/92/90/1141229290.db2.gz IQNASOIKICJXPO-UPHRSURJSA-N 1 3 319.424 2.014 20 0 DEADHO CC1(C)NC[C@@H](c2nc3ccccc3n2C2CC[NH2+]CC2)O1 ZINC001247020934 1141248726 /nfs/dbraw/zinc/24/87/26/1141248726.db2.gz VBQOLURURKUVBR-HNNXBMFYSA-N 1 3 300.406 2.358 20 0 DEADHO CN(CCC[NH2+]CC1=CCCCC1)C(=O)CN(C)C1CCC1 ZINC001322544639 1141625039 /nfs/dbraw/zinc/62/50/39/1141625039.db2.gz XIQSRGYREDJCKU-UHFFFAOYSA-N 1 3 307.482 2.409 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001323872776 1141895549 /nfs/dbraw/zinc/89/55/49/1141895549.db2.gz OVPKURVSRQOEKW-GOSISDBHSA-N 1 3 307.482 2.217 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001323872776 1141895551 /nfs/dbraw/zinc/89/55/51/1141895551.db2.gz OVPKURVSRQOEKW-GOSISDBHSA-N 1 3 307.482 2.217 20 0 DEADHO CN1CCC[C@@H]1CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC001250684921 1142266971 /nfs/dbraw/zinc/26/69/71/1142266971.db2.gz AVALTAWPXASKNZ-HUUCEWRRSA-N 1 3 312.841 2.154 20 0 DEADHO CC/C=C/CC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001278608066 1142339021 /nfs/dbraw/zinc/33/90/21/1142339021.db2.gz IYSUZASVUBEKPD-SGFLJFKBSA-N 1 3 318.465 2.491 20 0 DEADHO O=C(CCNC[C@H]1CCC[N@H+](CC2CC2)C1)Nc1cccnc1 ZINC001336805893 1142580588 /nfs/dbraw/zinc/58/05/88/1142580588.db2.gz XTDCMPFNCCMSKW-MRXNPFEDSA-N 1 3 316.449 2.122 20 0 DEADHO O=C(CCNC[C@H]1CCC[N@@H+](CC2CC2)C1)Nc1cccnc1 ZINC001336805893 1142580597 /nfs/dbraw/zinc/58/05/97/1142580597.db2.gz XTDCMPFNCCMSKW-MRXNPFEDSA-N 1 3 316.449 2.122 20 0 DEADHO CC[NH+](CC)C[C@H](O)CNCC1(Cc2ccccc2OC)CC1 ZINC001253211358 1142854591 /nfs/dbraw/zinc/85/45/91/1142854591.db2.gz FKGLITOIRVJBPB-QGZVFWFLSA-N 1 3 320.477 2.310 20 0 DEADHO CC[NH+](CC)C[C@@H](O)CNCC1(Cc2ccc(OC)cc2)CC1 ZINC001253214156 1142855330 /nfs/dbraw/zinc/85/53/30/1142855330.db2.gz NXWWUQRCQYTQMK-KRWDZBQOSA-N 1 3 320.477 2.310 20 0 DEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)CCOCc2ccccc2)C1 ZINC001253296779 1142862560 /nfs/dbraw/zinc/86/25/60/1142862560.db2.gz YFPQVQMVQYNLHH-GUDVDZBRSA-N 1 3 320.477 2.417 20 0 DEADHO OC1(C[N@@H+]2CCC[C@@H]2CF)CCN(Cc2ccccc2)CC1 ZINC001254043819 1143031320 /nfs/dbraw/zinc/03/13/20/1143031320.db2.gz NNTKHIHWRKQVJD-QGZVFWFLSA-N 1 3 306.425 2.447 20 0 DEADHO OC1(C[N@H+]2CCC[C@@H]2CF)CCN(Cc2ccccc2)CC1 ZINC001254043819 1143031325 /nfs/dbraw/zinc/03/13/25/1143031325.db2.gz NNTKHIHWRKQVJD-QGZVFWFLSA-N 1 3 306.425 2.447 20 0 DEADHO CSc1cccc(-c2cn(CCCC[NH2+]CCCN)nn2)c1 ZINC001254164788 1143050853 /nfs/dbraw/zinc/05/08/53/1143050853.db2.gz VOSXMULZIHXGNK-UHFFFAOYSA-N 1 3 319.478 2.386 20 0 DEADHO CC(=O)N1CCC([N@@H+](Cc2ccccc2)C[C@H](C)CN)CC1 ZINC001254419147 1143110707 /nfs/dbraw/zinc/11/07/07/1143110707.db2.gz MBHLXPQZWLUGBN-OAHLLOKOSA-N 1 3 303.450 2.094 20 0 DEADHO CC(=O)N1CCC([N@H+](Cc2ccccc2)C[C@H](C)CN)CC1 ZINC001254419147 1143110710 /nfs/dbraw/zinc/11/07/10/1143110710.db2.gz MBHLXPQZWLUGBN-OAHLLOKOSA-N 1 3 303.450 2.094 20 0 DEADHO CC(=O)N1CCC(N(Cc2ccccc2)C[C@H](C)C[NH3+])CC1 ZINC001254419147 1143110715 /nfs/dbraw/zinc/11/07/15/1143110715.db2.gz MBHLXPQZWLUGBN-OAHLLOKOSA-N 1 3 303.450 2.094 20 0 DEADHO C[C@H]([NH2+][C@H]1CCCN(C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC001254499539 1143139663 /nfs/dbraw/zinc/13/96/63/1143139663.db2.gz IPVOIUCHWBTXSS-ZFWWWQNUSA-N 1 3 310.463 2.225 20 0 DEADHO CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCN(C)CC2)cc1 ZINC001254509070 1143155209 /nfs/dbraw/zinc/15/52/09/1143155209.db2.gz VITITYCBWSCWDW-OAHLLOKOSA-N 1 3 310.463 2.054 20 0 DEADHO CN1CCC[C@H]([N@@H+]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1 ZINC001254519875 1143185521 /nfs/dbraw/zinc/18/55/21/1143185521.db2.gz KWMNJNARRADJDT-PMPSAXMXSA-N 1 3 323.481 2.412 20 0 DEADHO CN1CCC[C@H]([N@H+]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1 ZINC001254519875 1143185532 /nfs/dbraw/zinc/18/55/32/1143185532.db2.gz KWMNJNARRADJDT-PMPSAXMXSA-N 1 3 323.481 2.412 20 0 DEADHO C[N@@H+]1CCC[C@H](N2CCN(CCc3ccccc3)CC2)CC1 ZINC001254522866 1143199626 /nfs/dbraw/zinc/19/96/26/1143199626.db2.gz JZDKGJDZCSUTOD-IBGZPJMESA-N 1 3 301.478 2.331 20 0 DEADHO C[N@H+]1CCC[C@H](N2CCN(CCc3ccccc3)CC2)CC1 ZINC001254522866 1143199675 /nfs/dbraw/zinc/19/96/75/1143199675.db2.gz JZDKGJDZCSUTOD-IBGZPJMESA-N 1 3 301.478 2.331 20 0 DEADHO CN1CCC[C@H]([NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)CC1 ZINC001254529602 1143222782 /nfs/dbraw/zinc/22/27/82/1143222782.db2.gz OOMRYLPEYVALDA-UONOGXRCSA-N 1 3 308.388 2.496 20 0 DEADHO CCOC(=O)N1CC[C@@H]([NH2+][C@H](CCN(C)C)c2ccccc2)C1 ZINC001256011983 1143820975 /nfs/dbraw/zinc/82/09/75/1143820975.db2.gz VIFOVLVUBDRVAD-IAGOWNOFSA-N 1 3 319.449 2.500 20 0 DEADHO C[C@H](Cc1ccccn1)N[C@@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001256403426 1143846877 /nfs/dbraw/zinc/84/68/77/1143846877.db2.gz YSWRKDMPYANSPQ-UKRRQHHQSA-N 1 3 322.453 2.192 20 0 DEADHO CC(C)(C)[NH+]1CCC(N2CCN(C3CCOCC3)CC2)CC1 ZINC001256572108 1143854666 /nfs/dbraw/zinc/85/46/66/1143854666.db2.gz OJUWWKIKDDQJKJ-UHFFFAOYSA-N 1 3 309.498 2.046 20 0 DEADHO C[NH+](C)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 ZINC001256591615 1143856133 /nfs/dbraw/zinc/85/61/33/1143856133.db2.gz WJNQZBNBJAULAS-SFHVURJKSA-N 1 3 302.466 2.072 20 0 DEADHO c1ccc2c(c1)COC[C@H]2[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256685049 1143862194 /nfs/dbraw/zinc/86/21/94/1143862194.db2.gz XNELXCPSRNIOGY-FAFZWHIHSA-N 1 3 316.445 2.491 20 0 DEADHO C1CO[C@H]2CC[N@@H+](C3CCC(N4CCOCC4)CC3)C[C@@H]2C1 ZINC001256689397 1143862323 /nfs/dbraw/zinc/86/23/23/1143862323.db2.gz VKORWLACOVBXIW-BFWZDYSYSA-N 1 3 308.466 2.131 20 0 DEADHO C1CO[C@H]2CC[N@H+](C3CCC(N4CCOCC4)CC3)C[C@@H]2C1 ZINC001256689397 1143862325 /nfs/dbraw/zinc/86/23/25/1143862325.db2.gz VKORWLACOVBXIW-BFWZDYSYSA-N 1 3 308.466 2.131 20 0 DEADHO c1c(C[NH2+]C2CCC(N3CCOCC3)CC2)nn2ccccc12 ZINC001256686711 1143862561 /nfs/dbraw/zinc/86/25/61/1143862561.db2.gz BZNXEYJTVZODBE-UHFFFAOYSA-N 1 3 314.433 2.067 20 0 DEADHO c1ncn(CC2CC2)c1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256687319 1143862568 /nfs/dbraw/zinc/86/25/68/1143862568.db2.gz RSNRKPYUOJQCRW-UHFFFAOYSA-N 1 3 318.465 2.026 20 0 DEADHO OCC[C@@H]1CC12CC[NH+](C1CCC(N3CCOCC3)CC1)CC2 ZINC001256690830 1143862868 /nfs/dbraw/zinc/86/28/68/1143862868.db2.gz LQUHUCHBXILEBI-WWDZGPRUSA-N 1 3 322.493 2.114 20 0 DEADHO CCN(CC)[C@H]1CC[N@@H+](C2CCC(N3CCOCC3)CC2)C1 ZINC001256699446 1143863662 /nfs/dbraw/zinc/86/36/62/1143863662.db2.gz ZHYOKAIVNYPRFW-ABHNRTSZSA-N 1 3 309.498 2.046 20 0 DEADHO CCN(CC)[C@H]1CC[N@H+](C2CCC(N3CCOCC3)CC2)C1 ZINC001256699446 1143863663 /nfs/dbraw/zinc/86/36/63/1143863663.db2.gz ZHYOKAIVNYPRFW-ABHNRTSZSA-N 1 3 309.498 2.046 20 0 DEADHO C1CCC([N@@H+]2CCC[C@H](N3CCN(C4CCOCC4)CC3)C2)C1 ZINC001256918672 1143875039 /nfs/dbraw/zinc/87/50/39/1143875039.db2.gz RFSZLPUUMJXDPO-IBGZPJMESA-N 1 3 321.509 2.190 20 0 DEADHO C1CCC([N@H+]2CCC[C@H](N3CCN(C4CCOCC4)CC3)C2)C1 ZINC001256918672 1143875040 /nfs/dbraw/zinc/87/50/40/1143875040.db2.gz RFSZLPUUMJXDPO-IBGZPJMESA-N 1 3 321.509 2.190 20 0 DEADHO CC(C)[NH+]1CCC(N[C@H]2CCN(Cc3cccnc3)C2)CC1 ZINC001257211912 1143893284 /nfs/dbraw/zinc/89/32/84/1143893284.db2.gz QPQRFXPNRQOJJZ-SFHVURJKSA-N 1 3 302.466 2.118 20 0 DEADHO CCC[C@H](C)N1CCC([NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC001257320373 1143897960 /nfs/dbraw/zinc/89/79/60/1143897960.db2.gz FZJBVSPCPUFKRM-HNNXBMFYSA-N 1 3 309.498 2.440 20 0 DEADHO COC(=O)[C@H]1CCN(C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258142882 1143978225 /nfs/dbraw/zinc/97/82/25/1143978225.db2.gz LSYHPGOFIRYHLF-KRWDZBQOSA-N 1 3 316.445 2.188 20 0 DEADHO C[C@H](Cc1ccco1)N1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001258200148 1143983517 /nfs/dbraw/zinc/98/35/17/1143983517.db2.gz RQNCVMJWUUQTLU-MRXNPFEDSA-N 1 3 305.466 2.170 20 0 DEADHO CC[NH+](CC)CCC[C@@H](C)N[C@H]1c2ccccc2CNC1=O ZINC001258901882 1144052662 /nfs/dbraw/zinc/05/26/62/1144052662.db2.gz OYIYTJVHRIKFDI-PBHICJAKSA-N 1 3 303.450 2.458 20 0 DEADHO C[NH2+]CCCCC(=O)N(CCN(C)C)Cc1ccccc1F ZINC001263107993 1144356575 /nfs/dbraw/zinc/35/65/75/1144356575.db2.gz LLWZXKNDOHUNAS-UHFFFAOYSA-N 1 3 309.429 2.106 20 0 DEADHO CCC/C=C\CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001263820599 1144401087 /nfs/dbraw/zinc/40/10/87/1144401087.db2.gz CGNMSLYJJOQTQC-TZNMXKOXSA-N 1 3 307.482 2.217 20 0 DEADHO CCC/C=C\CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001263820599 1144401090 /nfs/dbraw/zinc/40/10/90/1144401090.db2.gz CGNMSLYJJOQTQC-TZNMXKOXSA-N 1 3 307.482 2.217 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1)N(C)C ZINC001263849591 1144411103 /nfs/dbraw/zinc/41/11/03/1144411103.db2.gz OUHVVYFOZGDPMF-IXDOHACOSA-N 1 3 307.482 2.311 20 0 DEADHO COC(=O)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1 ZINC000390836137 1144613511 /nfs/dbraw/zinc/61/35/11/1144613511.db2.gz NYKNKOGQXBAGBQ-NPYXIHBLSA-N 1 3 302.418 2.158 20 0 DEADHO CC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001265459603 1144705195 /nfs/dbraw/zinc/70/51/95/1144705195.db2.gz GGXBBSXXTICUMV-CSLAMCDYSA-N 1 3 307.482 2.408 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCCF ZINC001265691150 1144728945 /nfs/dbraw/zinc/72/89/45/1144728945.db2.gz FTTHHMSEYHEHAC-JKSUJKDBSA-N 1 3 313.461 2.191 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001364401897 1145225403 /nfs/dbraw/zinc/22/54/03/1145225403.db2.gz YFXUUNJRKPGKOZ-SJORKVTESA-N 1 3 307.482 2.384 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001364401897 1145225408 /nfs/dbraw/zinc/22/54/08/1145225408.db2.gz YFXUUNJRKPGKOZ-SJORKVTESA-N 1 3 307.482 2.384 20 0 DEADHO C[C@@H]1CC[N@H+](CCNC(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC001364760664 1145545039 /nfs/dbraw/zinc/54/50/39/1145545039.db2.gz SROIIELAXBQPNG-MRXNPFEDSA-N 1 3 324.513 2.092 20 0 DEADHO C[C@@H]1CC[N@@H+](CCNC(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC001364760664 1145545047 /nfs/dbraw/zinc/54/50/47/1145545047.db2.gz SROIIELAXBQPNG-MRXNPFEDSA-N 1 3 324.513 2.092 20 0 DEADHO O=C(NCCN1CCCCC1)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001365417839 1145867735 /nfs/dbraw/zinc/86/77/35/1145867735.db2.gz PXNPCVYFUITWBW-QGZVFWFLSA-N 1 3 322.497 2.179 20 0 DEADHO O=C(NCCN1CCCCC1)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC001365417839 1145867736 /nfs/dbraw/zinc/86/77/36/1145867736.db2.gz PXNPCVYFUITWBW-QGZVFWFLSA-N 1 3 322.497 2.179 20 0 DEADHO CCOC(=O)N1CCC(C)(C[NH2+]C[C@H]2CN3CCC2CC3)CC1 ZINC001365616114 1145917208 /nfs/dbraw/zinc/91/72/08/1145917208.db2.gz CZSRIDWRMNGCAH-INIZCTEOSA-N 1 3 323.481 2.176 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001366171871 1147091791 /nfs/dbraw/zinc/09/17/91/1147091791.db2.gz PUJAYYPZRUBRJI-WCXIOVBPSA-N 1 3 311.514 2.492 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@H+](CC2CC(C)C2)C1 ZINC001366187736 1147102452 /nfs/dbraw/zinc/10/24/52/1147102452.db2.gz LZLJXQRZLPRHIS-AQFXKWCLSA-N 1 3 309.498 2.203 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@@H+](CC2CC(C)C2)C1 ZINC001366187736 1147102461 /nfs/dbraw/zinc/10/24/61/1147102461.db2.gz LZLJXQRZLPRHIS-AQFXKWCLSA-N 1 3 309.498 2.203 20 0 DEADHO CN(CCNC(=O)CC[NH+](C)C)Cc1ccc2ccccc2c1 ZINC001492402433 1147243729 /nfs/dbraw/zinc/24/37/29/1147243729.db2.gz OKWHPJCPYYPFMP-UHFFFAOYSA-N 1 3 313.445 2.340 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001366391914 1147248250 /nfs/dbraw/zinc/24/82/50/1147248250.db2.gz UQVZFBKTLHPESV-INIZCTEOSA-N 1 3 307.482 2.097 20 0 DEADHO CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CCCC(C)(C)C ZINC001367000739 1147630820 /nfs/dbraw/zinc/63/08/20/1147630820.db2.gz BPRVCHNYWPEFPV-HOTGVXAUSA-N 1 3 309.498 2.440 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CCCC(C)(C)C ZINC001367000739 1147630821 /nfs/dbraw/zinc/63/08/21/1147630821.db2.gz BPRVCHNYWPEFPV-HOTGVXAUSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]C/C=C\Cl)CC1)N(C)C ZINC001367178335 1147660882 /nfs/dbraw/zinc/66/08/82/1147660882.db2.gz BAGVCLYCRIZOQU-DTQGZOLVSA-N 1 3 315.889 2.342 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCC2CC2)C1 ZINC001317169316 1147669782 /nfs/dbraw/zinc/66/97/82/1147669782.db2.gz ZBYUOSMYOSHFSJ-MSOLQXFVSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]CC1CCCCC1 ZINC001367268589 1147672045 /nfs/dbraw/zinc/67/20/45/1147672045.db2.gz BHBJANCSLRBXTJ-HZPDHXFCSA-N 1 3 309.498 2.250 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1([NH2+]CCC2CC2)CCCC1)N(C)C ZINC001367324678 1147678342 /nfs/dbraw/zinc/67/83/42/1147678342.db2.gz QFTWUNOAPZOUPW-INIZCTEOSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H](CNCc1ccccc1F)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001367381349 1147686701 /nfs/dbraw/zinc/68/67/01/1147686701.db2.gz LKVJMSFAOLTPEU-LSDHHAIUSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@H](CNCc1ccccc1F)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001367381349 1147686703 /nfs/dbraw/zinc/68/67/03/1147686703.db2.gz LKVJMSFAOLTPEU-LSDHHAIUSA-N 1 3 321.440 2.104 20 0 DEADHO CC1CCN(CC(=O)N(C)CC[N@H+](C)Cc2ccccc2)CC1 ZINC001367543297 1147713117 /nfs/dbraw/zinc/71/31/17/1147713117.db2.gz APMPFZRFNGGERC-UHFFFAOYSA-N 1 3 317.477 2.309 20 0 DEADHO CC1CCN(CC(=O)N(C)CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001367543297 1147713118 /nfs/dbraw/zinc/71/31/18/1147713118.db2.gz APMPFZRFNGGERC-UHFFFAOYSA-N 1 3 317.477 2.309 20 0 DEADHO CCc1ccccc1C[N@H+](C)CCN(C)C(=O)CN(C)C(C)C ZINC001367558841 1147716242 /nfs/dbraw/zinc/71/62/42/1147716242.db2.gz XDYXFGPYZJDKBC-UHFFFAOYSA-N 1 3 319.493 2.479 20 0 DEADHO CCc1ccccc1C[N@@H+](C)CCN(C)C(=O)CN(C)C(C)C ZINC001367558841 1147716244 /nfs/dbraw/zinc/71/62/44/1147716244.db2.gz XDYXFGPYZJDKBC-UHFFFAOYSA-N 1 3 319.493 2.479 20 0 DEADHO Cc1ccccc1CCC[NH2+]CCN(C)C(=O)[C@H]1CCCN1C ZINC001317574135 1147727584 /nfs/dbraw/zinc/72/75/84/1147727584.db2.gz VECDQEFTEUAKNU-GOSISDBHSA-N 1 3 317.477 2.070 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1cccc(C)c1 ZINC001367845814 1147759561 /nfs/dbraw/zinc/75/95/61/1147759561.db2.gz KDIPBBGPSVBLJP-INIZCTEOSA-N 1 3 305.466 2.273 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1cccc(C)c1 ZINC001367845814 1147759563 /nfs/dbraw/zinc/75/95/63/1147759563.db2.gz KDIPBBGPSVBLJP-INIZCTEOSA-N 1 3 305.466 2.273 20 0 DEADHO CCc1cccc(CN(C)C[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001367860770 1147762717 /nfs/dbraw/zinc/76/27/17/1147762717.db2.gz XNUXGNPHZFHMCM-YJBOKZPZSA-N 1 3 317.477 2.137 20 0 DEADHO CCc1cccc(CN(C)C[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001367860770 1147762719 /nfs/dbraw/zinc/76/27/19/1147762719.db2.gz XNUXGNPHZFHMCM-YJBOKZPZSA-N 1 3 317.477 2.137 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+][C@H]2CCc3ccccc32)CC1 ZINC001368035071 1147837371 /nfs/dbraw/zinc/83/73/71/1147837371.db2.gz IGFWOJYDDULQQQ-KRWDZBQOSA-N 1 3 315.461 2.254 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2c(C)cccc2C)CC1 ZINC001368036041 1147837917 /nfs/dbraw/zinc/83/79/17/1147837917.db2.gz KYVBZKNNVGLXSH-UHFFFAOYSA-N 1 3 317.477 2.384 20 0 DEADHO C[C@@H](F)CC[NH2+]CC[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001326286886 1148069607 /nfs/dbraw/zinc/06/96/07/1148069607.db2.gz KJGBMWICMSXZOM-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001326774015 1148241479 /nfs/dbraw/zinc/24/14/79/1148241479.db2.gz QESBXJDPWNSELZ-CYBMUJFWSA-N 1 3 323.403 2.250 20 0 DEADHO C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000431818577 282121479 /nfs/dbraw/zinc/12/14/79/282121479.db2.gz RPFWSWVNOHORDB-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000171455449 282146491 /nfs/dbraw/zinc/14/64/91/282146491.db2.gz NMPXLXMDKCNWEH-QGZVFWFLSA-N 1 3 301.434 2.059 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N[C@]1(C)CC[NH2+]C1)c1ccccc1 ZINC000612861824 361933686 /nfs/dbraw/zinc/93/36/86/361933686.db2.gz CZGOBBSWDNLDME-FUHWJXTLSA-N 1 3 318.465 2.121 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N[C@]1(C)CC[NH2+]C1)c1ccsc1 ZINC000612867495 361936025 /nfs/dbraw/zinc/93/60/25/361936025.db2.gz AUXMJKWWRQCXDA-GOEBONIOSA-N 1 3 324.494 2.182 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000417843419 529608195 /nfs/dbraw/zinc/60/81/95/529608195.db2.gz VNPSSLDLDWRPEH-KDOFPFPSSA-N 1 3 317.477 2.391 20 0 DEADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(Cl)nc1 ZINC000177379642 282206018 /nfs/dbraw/zinc/20/60/18/282206018.db2.gz VZSHAMMUBYYHLM-UHFFFAOYSA-N 1 3 310.873 2.193 20 0 DEADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H]3CCOC3)CC2)c1 ZINC000088676881 185262274 /nfs/dbraw/zinc/26/22/74/185262274.db2.gz DPESHDYYNWYRNF-SFHVURJKSA-N 1 3 317.477 2.276 20 0 DEADHO CC[C@@H](NC1CCN(c2cccc(C)n2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422752780 529682387 /nfs/dbraw/zinc/68/23/87/529682387.db2.gz DCHSXFJAJCYCGX-SJORKVTESA-N 1 3 302.466 2.479 20 0 DEADHO C[NH+](C)CCOc1ccc(CN2CCN(CC3CC3)CC2)cc1 ZINC000613268062 362063660 /nfs/dbraw/zinc/06/36/60/362063660.db2.gz DUVCHVWEYFPIPZ-UHFFFAOYSA-N 1 3 317.477 2.155 20 0 DEADHO CN(C)[C@H]1CCCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000418669600 282253491 /nfs/dbraw/zinc/25/34/91/282253491.db2.gz JLQUWXVCEFLOAL-DLBZAZTESA-N 1 3 318.465 2.202 20 0 DEADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCCN2CCCC(C)(C)C2)C1 ZINC000445106293 282257650 /nfs/dbraw/zinc/25/76/50/282257650.db2.gz FWOFATRUPVNECF-CVEARBPZSA-N 1 3 324.513 2.280 20 0 DEADHO CN(CCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)CC(F)(F)F ZINC000422857795 529891908 /nfs/dbraw/zinc/89/19/08/529891908.db2.gz HXABVAXGFPAUIZ-BFHYXJOUSA-N 1 3 307.404 2.381 20 0 DEADHO CN(C[C@H]1CCCN1C)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000422604206 529966533 /nfs/dbraw/zinc/96/65/33/529966533.db2.gz BFAMRHVFFJCSSI-MRXNPFEDSA-N 1 3 310.486 2.034 20 0 DEADHO CN(C[C@H]1CCCN1C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000422039249 529966609 /nfs/dbraw/zinc/96/66/09/529966609.db2.gz RCGFMMIBYDQEHL-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C[C@H]1CCCN1C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000422039249 529966610 /nfs/dbraw/zinc/96/66/10/529966610.db2.gz RCGFMMIBYDQEHL-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H](C(=O)N1CCCC2(CC[NH2+]CC2)C1)N1CCCCCC1 ZINC000372427234 295719258 /nfs/dbraw/zinc/71/92/58/295719258.db2.gz PNSSVVPRTHDILD-INIZCTEOSA-N 1 3 307.482 2.243 20 0 DEADHO CN1CCCN(CCC[NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000128443562 539486743 /nfs/dbraw/zinc/48/67/43/539486743.db2.gz NTOUTRBMXLEHEE-GOSISDBHSA-N 1 3 305.441 2.430 20 0 DEADHO COC[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)OC ZINC000272693798 210099473 /nfs/dbraw/zinc/09/94/73/210099473.db2.gz QFOVZRCGLKKOCE-INDMIFKZSA-N 1 3 318.461 2.148 20 0 DEADHO COC[C@H](CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)OC ZINC000272693798 210099477 /nfs/dbraw/zinc/09/94/77/210099477.db2.gz QFOVZRCGLKKOCE-INDMIFKZSA-N 1 3 318.461 2.148 20 0 DEADHO COC[C@H](CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)OC ZINC000272693798 210099480 /nfs/dbraw/zinc/09/94/80/210099480.db2.gz QFOVZRCGLKKOCE-INDMIFKZSA-N 1 3 318.461 2.148 20 0 DEADHO [NH3+]C1(CC(=O)NCC2CCN(Cc3cccs3)CC2)CCC1 ZINC000166213501 539609433 /nfs/dbraw/zinc/60/94/33/539609433.db2.gz XSDADKXMKDOXOI-UHFFFAOYSA-N 1 3 321.490 2.348 20 0 DEADHO CCOC[C@@H]1CCN(C/C=C/C[N@@H+]2CC[C@H](COCC)C2)C1 ZINC000176326334 539626612 /nfs/dbraw/zinc/62/66/12/539626612.db2.gz YHAJBTKRRMYPQU-FBLDJFESSA-N 1 3 310.482 2.259 20 0 DEADHO CCOC[C@@H]1CCN(C/C=C/C[N@H+]2CC[C@H](COCC)C2)C1 ZINC000176326334 539626620 /nfs/dbraw/zinc/62/66/20/539626620.db2.gz YHAJBTKRRMYPQU-FBLDJFESSA-N 1 3 310.482 2.259 20 0 DEADHO CCOC[C@@H]1CC[N@@H+](C/C=C/CN2CC[C@H](COCC)C2)C1 ZINC000176326334 539626624 /nfs/dbraw/zinc/62/66/24/539626624.db2.gz YHAJBTKRRMYPQU-FBLDJFESSA-N 1 3 310.482 2.259 20 0 DEADHO CCOC[C@@H]1CC[N@H+](C/C=C/CN2CC[C@H](COCC)C2)C1 ZINC000176326334 539626631 /nfs/dbraw/zinc/62/66/31/539626631.db2.gz YHAJBTKRRMYPQU-FBLDJFESSA-N 1 3 310.482 2.259 20 0 DEADHO CC(C)C[C@@H](N)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000236690095 539738696 /nfs/dbraw/zinc/73/86/96/539738696.db2.gz WSHVHCTZWNROQX-QZTJIDSGSA-N 1 3 317.477 2.340 20 0 DEADHO CC(C)C[C@@H](N)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000236690095 539738698 /nfs/dbraw/zinc/73/86/98/539738698.db2.gz WSHVHCTZWNROQX-QZTJIDSGSA-N 1 3 317.477 2.340 20 0 DEADHO CC(C)C[C@@H](N)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000236725363 539739893 /nfs/dbraw/zinc/73/98/93/539739893.db2.gz PNCSBDRRBMZEES-QGZVFWFLSA-N 1 3 321.465 2.007 20 0 DEADHO CCOC[C@@H]1CCN(CC[C@@H](C)[N@@H+]2CC[C@@H](COCC)C2)C1 ZINC000245705451 539757787 /nfs/dbraw/zinc/75/77/87/539757787.db2.gz WYLMZHZXGXUFJE-KZNAEPCWSA-N 1 3 312.498 2.482 20 0 DEADHO CCOC[C@@H]1CCN(CC[C@@H](C)[N@H+]2CC[C@@H](COCC)C2)C1 ZINC000245705451 539757792 /nfs/dbraw/zinc/75/77/92/539757792.db2.gz WYLMZHZXGXUFJE-KZNAEPCWSA-N 1 3 312.498 2.482 20 0 DEADHO CCOC[C@@H]1CCN([C@H](C)CC[N@@H+]2CC[C@@H](COCC)C2)C1 ZINC000245705451 539757795 /nfs/dbraw/zinc/75/77/95/539757795.db2.gz WYLMZHZXGXUFJE-KZNAEPCWSA-N 1 3 312.498 2.482 20 0 DEADHO CCOC[C@@H]1CCN([C@H](C)CC[N@H+]2CC[C@@H](COCC)C2)C1 ZINC000245705451 539757801 /nfs/dbraw/zinc/75/78/01/539757801.db2.gz WYLMZHZXGXUFJE-KZNAEPCWSA-N 1 3 312.498 2.482 20 0 DEADHO C[C@@H](CC(=O)N[C@@H](CN(C)C)c1ccccc1)C1CC[NH2+]CC1 ZINC000163870323 186141219 /nfs/dbraw/zinc/14/12/19/186141219.db2.gz FVDJERPVMVTYHT-YJBOKZPZSA-N 1 3 317.477 2.431 20 0 DEADHO C[NH+](C)CC[C@@H](NC(=O)NCCN1CCCCC1)C(C)(C)C ZINC000172167292 198051180 /nfs/dbraw/zinc/05/11/80/198051180.db2.gz MURHXCVJAMYKRB-OAHLLOKOSA-N 1 3 312.502 2.138 20 0 DEADHO CN1CC=C(C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000280126884 215394144 /nfs/dbraw/zinc/39/41/44/215394144.db2.gz CWRUDWVVYUJSJF-UHFFFAOYSA-N 1 3 317.824 2.272 20 0 DEADHO CN(C)C1(CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCC1 ZINC000331919658 234277202 /nfs/dbraw/zinc/27/72/02/234277202.db2.gz UVMJDUNHJFAUEG-UHFFFAOYSA-N 1 3 310.486 2.079 20 0 DEADHO CC(C)CC(=O)N1CCC([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000339071108 539986444 /nfs/dbraw/zinc/98/64/44/539986444.db2.gz QEFXVCRVSSAUMU-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)CC(=O)N1CCC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339071108 539986447 /nfs/dbraw/zinc/98/64/47/539986447.db2.gz QEFXVCRVSSAUMU-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)CC(=O)N1CCC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339071108 539986452 /nfs/dbraw/zinc/98/64/52/539986452.db2.gz QEFXVCRVSSAUMU-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO CN(C)CCOc1ccccc1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339066554 539986028 /nfs/dbraw/zinc/98/60/28/539986028.db2.gz FYGNDRQQSYNGHG-MSOLQXFVSA-N 1 3 317.477 2.343 20 0 DEADHO CN(C)CCOc1ccccc1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339066554 539986033 /nfs/dbraw/zinc/98/60/33/539986033.db2.gz FYGNDRQQSYNGHG-MSOLQXFVSA-N 1 3 317.477 2.343 20 0 DEADHO C[C@@H](CCNC(=O)C1CCN(Cc2ccccc2)CC1)[NH+](C)C ZINC000617751235 363251648 /nfs/dbraw/zinc/25/16/48/363251648.db2.gz USMYLVLEAZOYMQ-INIZCTEOSA-N 1 3 317.477 2.355 20 0 DEADHO CCC[C@@H](N)C(=O)Nc1ccccc1OCC[NH+](CC)CC ZINC000236789788 202010241 /nfs/dbraw/zinc/01/02/41/202010241.db2.gz KPMULKGEQDDWFF-CQSZACIVSA-N 1 3 307.438 2.473 20 0 DEADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000057554096 354573946 /nfs/dbraw/zinc/57/39/46/354573946.db2.gz XUUZOMNHXXFCBH-QGZVFWFLSA-N 1 3 315.461 2.495 20 0 DEADHO C[C@@H](C[NH3+])N(C)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000418162846 295893367 /nfs/dbraw/zinc/89/33/67/295893367.db2.gz GDGHJIIVJPGFJG-HNNXBMFYSA-N 1 3 310.486 2.021 20 0 DEADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C1CCN(C)CC1 ZINC000073308010 354952358 /nfs/dbraw/zinc/95/23/58/354952358.db2.gz UHFVFGQDDKZGBO-UHFFFAOYSA-N 1 3 317.477 2.439 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)CSCC[NH+](CC)CC ZINC000073555776 354966816 /nfs/dbraw/zinc/96/68/16/354966816.db2.gz UPLYMPAPFZYQOC-HNNXBMFYSA-N 1 3 315.527 2.052 20 0 DEADHO CCC[NH+]1CCC(NC(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000073664578 354973935 /nfs/dbraw/zinc/97/39/35/354973935.db2.gz XMMOHKVYWNQEDM-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO [NH3+]CCOCCN1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000357088558 283070606 /nfs/dbraw/zinc/07/06/06/283070606.db2.gz XUJDGNFPQQRKFD-LBPRGKRZSA-N 1 3 319.232 2.422 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000078501005 355265089 /nfs/dbraw/zinc/26/50/89/355265089.db2.gz GVYXVSBWAILNBX-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO C[NH+](C)CCC1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000079492506 355313035 /nfs/dbraw/zinc/31/30/35/355313035.db2.gz LDUDIQWVWPDIRH-QGZVFWFLSA-N 1 3 306.450 2.090 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NCCCCC[NH+]2CCCC2)CCN1C ZINC000454636549 297277326 /nfs/dbraw/zinc/27/73/26/297277326.db2.gz FJZOMRXEIJJLDF-CVEARBPZSA-N 1 3 310.486 2.034 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000414923634 540157600 /nfs/dbraw/zinc/15/76/00/540157600.db2.gz IUEOHWFYFRXVRY-MJBXVCDLSA-N 1 3 305.422 2.272 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[C@@H](N)C2)c1 ZINC000414923634 540157602 /nfs/dbraw/zinc/15/76/02/540157602.db2.gz IUEOHWFYFRXVRY-MJBXVCDLSA-N 1 3 305.422 2.272 20 0 DEADHO CN1CC[C@@]2(CCN(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)C2)C1 ZINC000366095578 283102343 /nfs/dbraw/zinc/10/23/43/283102343.db2.gz XAJGZTIWARRLDB-GOSISDBHSA-N 1 3 322.497 2.033 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000430848861 540176265 /nfs/dbraw/zinc/17/62/65/540176265.db2.gz DIKTYXITNNRMPN-BFHYXJOUSA-N 1 3 307.463 2.129 20 0 DEADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCOc1ncccc1C(F)(F)F ZINC000090605850 355564415 /nfs/dbraw/zinc/56/44/15/355564415.db2.gz QLQVPDWGWPJINY-AAEUAGOBSA-N 1 3 317.355 2.409 20 0 DEADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCOc1ncccc1C(F)(F)F ZINC000090605850 355564417 /nfs/dbraw/zinc/56/44/17/355564417.db2.gz QLQVPDWGWPJINY-AAEUAGOBSA-N 1 3 317.355 2.409 20 0 DEADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2scnc2C2CC2)CC1 ZINC000487268717 540212045 /nfs/dbraw/zinc/21/20/45/540212045.db2.gz MCVOYSOQRVSZDL-HUUCEWRRSA-N 1 3 321.490 2.488 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CCC3(CCCC3)CC2)CC1 ZINC000158389624 355958605 /nfs/dbraw/zinc/95/86/05/355958605.db2.gz VVAZSXJIHKAAMJ-UHFFFAOYSA-N 1 3 307.482 2.243 20 0 DEADHO CCC1(CC)[C@@H]([NH2+]CCCN2CCCN(C)CC2)C[C@@H]1OC ZINC000181705841 356091731 /nfs/dbraw/zinc/09/17/31/356091731.db2.gz YNKCQTTWYQKFDJ-IRXDYDNUSA-N 1 3 311.514 2.197 20 0 DEADHO C[C@H](CCNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C)[NH+]1CCCCC1 ZINC000182717630 356141805 /nfs/dbraw/zinc/14/18/05/356141805.db2.gz PBBNJGFSNPMYGL-ZACQAIPSSA-N 1 3 324.513 2.233 20 0 DEADHO CN(C)[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000314784803 356419303 /nfs/dbraw/zinc/41/93/03/356419303.db2.gz BRLLLVIVWCUGCL-WBVHZDCISA-N 1 3 303.450 2.185 20 0 DEADHO CN(C)[C@H](CNC(=O)CC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000314784801 356419579 /nfs/dbraw/zinc/41/95/79/356419579.db2.gz BRLLLVIVWCUGCL-NVXWUHKLSA-N 1 3 303.450 2.185 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N(CCN(C)C)C(C)C ZINC000360789934 535304106 /nfs/dbraw/zinc/30/41/06/535304106.db2.gz YTWOCHLFVAJDQF-OAHLLOKOSA-N 1 3 300.491 2.088 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(CCN(C)C)C(C)C ZINC000360789934 535304113 /nfs/dbraw/zinc/30/41/13/535304113.db2.gz YTWOCHLFVAJDQF-OAHLLOKOSA-N 1 3 300.491 2.088 20 0 DEADHO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H](N)Cc1ccccc1 ZINC000236858622 202040698 /nfs/dbraw/zinc/04/06/98/202040698.db2.gz ODFRMCVSGWDNHM-DOTOQJQBSA-N 1 3 305.466 2.183 20 0 DEADHO CCC[C@H](N)C(=O)NC[C@H](Cc1ccccc1)[NH+](CC)CC ZINC000236874290 202046394 /nfs/dbraw/zinc/04/63/94/202046394.db2.gz GYWWPZKGTIDUAT-IRXDYDNUSA-N 1 3 305.466 2.183 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)[C@@H](N)C(C)(C)C)Cc1ccccc1 ZINC000236878955 202047856 /nfs/dbraw/zinc/04/78/56/202047856.db2.gz XFRUQMSERRFKAV-DLBZAZTESA-N 1 3 319.493 2.429 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)[C@@H](N)CC(C)C)Cc1ccccc1 ZINC000236879233 202049140 /nfs/dbraw/zinc/04/91/40/202049140.db2.gz DVHGBDNBYFKYGR-ROUUACIJSA-N 1 3 319.493 2.429 20 0 DEADHO CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]2CCCCN2)cc1 ZINC000236886192 202052490 /nfs/dbraw/zinc/05/24/90/202052490.db2.gz KANKIOINKYYCJL-KRWDZBQOSA-N 1 3 319.449 2.488 20 0 DEADHO CC[C@@H](C)[C@@H](N)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000236984790 202107811 /nfs/dbraw/zinc/10/78/11/202107811.db2.gz VVLFUROCXPXYNL-RHSMWYFYSA-N 1 3 321.465 2.007 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NC[C@@H]1CCC[N@@H+]1CCC ZINC000358320416 535331651 /nfs/dbraw/zinc/33/16/51/535331651.db2.gz ZZURNBLZGXUONL-KRWDZBQOSA-N 1 3 324.513 2.378 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NC[C@@H]1CCC[N@H+]1CCC ZINC000358320416 535331654 /nfs/dbraw/zinc/33/16/54/535331654.db2.gz ZZURNBLZGXUONL-KRWDZBQOSA-N 1 3 324.513 2.378 20 0 DEADHO C[C@H](C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)CN(C)C ZINC000381827318 356672825 /nfs/dbraw/zinc/67/28/25/356672825.db2.gz HTXKNPQLAUAXSV-CQSZACIVSA-N 1 3 313.486 2.421 20 0 DEADHO CN(CCCNC(=O)[C@@]1(C)CCC[NH2+]C1)Cc1ccccc1 ZINC000237071445 202142581 /nfs/dbraw/zinc/14/25/81/202142581.db2.gz JFCTZGJOJFOWSJ-SFHVURJKSA-N 1 3 303.450 2.014 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000382745684 356677937 /nfs/dbraw/zinc/67/79/37/356677937.db2.gz SUEXENFRUDULPZ-AEFFLSMTSA-N 1 3 317.477 2.340 20 0 DEADHO COCC(COC)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000384912130 356685725 /nfs/dbraw/zinc/68/57/25/356685725.db2.gz CDHNKMCXZIOAGW-YTQUADARSA-N 1 3 318.461 2.148 20 0 DEADHO C[C@]1(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CCC[NH2+]1 ZINC000387139134 356702138 /nfs/dbraw/zinc/70/21/38/356702138.db2.gz COYCOCDZWWPBKZ-SJLPKXTDSA-N 1 3 301.434 2.082 20 0 DEADHO CC(C)[NH+]1CCC(NC[C@@H](O)COCc2ccccc2F)CC1 ZINC000387393961 356703818 /nfs/dbraw/zinc/70/38/18/356703818.db2.gz JTDNGHSADPHHJH-QGZVFWFLSA-N 1 3 324.440 2.166 20 0 DEADHO CCc1cccc(OC[C@@H](O)CNC2CC[NH+](CC)CC2)c1 ZINC000387454245 356704140 /nfs/dbraw/zinc/70/41/40/356704140.db2.gz VMXMKTXWBJNFTH-KRWDZBQOSA-N 1 3 306.450 2.063 20 0 DEADHO CN1CCC(CC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000618665622 363567751 /nfs/dbraw/zinc/56/77/51/363567751.db2.gz LVHNUVCZUCSDGK-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CN1CCC(CC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000618665622 363567756 /nfs/dbraw/zinc/56/77/56/363567756.db2.gz LVHNUVCZUCSDGK-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CC3(C)C)CC2)CC1 ZINC000578785539 356873644 /nfs/dbraw/zinc/87/36/44/356873644.db2.gz MOCRGASGSNDDMM-INIZCTEOSA-N 1 3 321.509 2.345 20 0 DEADHO CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000579228034 356941302 /nfs/dbraw/zinc/94/13/02/356941302.db2.gz TUPYQHQZGZRYHG-GOEBONIOSA-N 1 3 303.450 2.171 20 0 DEADHO CC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000579228034 356941304 /nfs/dbraw/zinc/94/13/04/356941304.db2.gz TUPYQHQZGZRYHG-GOEBONIOSA-N 1 3 303.450 2.171 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000579471316 356979892 /nfs/dbraw/zinc/97/98/92/356979892.db2.gz SUPQAFQFHAULEO-UONOGXRCSA-N 1 3 324.444 2.025 20 0 DEADHO Cc1nn2c(CNCC[C@@H]3CC[NH2+]C3)c(C(C)C)nc2s1 ZINC000579809304 357033988 /nfs/dbraw/zinc/03/39/88/357033988.db2.gz XPOWMWYZKLPWSM-LBPRGKRZSA-N 1 3 307.467 2.312 20 0 DEADHO Cc1nn2c(CNCC[C@H]3CC[NH2+]C3)c(C(C)C)nc2s1 ZINC000579809303 357034026 /nfs/dbraw/zinc/03/40/26/357034026.db2.gz XPOWMWYZKLPWSM-GFCCVEGCSA-N 1 3 307.467 2.312 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000581233476 357152212 /nfs/dbraw/zinc/15/22/12/357152212.db2.gz RJVWATFPDKVGQU-QLFBSQMISA-N 1 3 310.486 2.031 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000581233476 357152216 /nfs/dbraw/zinc/15/22/16/357152216.db2.gz RJVWATFPDKVGQU-QLFBSQMISA-N 1 3 310.486 2.031 20 0 DEADHO COc1ccc([C@H]2C[C@H](NC[C@H](O)C[N@H+](C)C3CC3)C2)cc1F ZINC000581247360 357154821 /nfs/dbraw/zinc/15/48/21/357154821.db2.gz WXDXYBLMBIVXNO-DZKIICNBSA-N 1 3 322.424 2.125 20 0 DEADHO COc1ccc([C@H]2C[C@H](NC[C@H](O)C[N@@H+](C)C3CC3)C2)cc1F ZINC000581247360 357154823 /nfs/dbraw/zinc/15/48/23/357154823.db2.gz WXDXYBLMBIVXNO-DZKIICNBSA-N 1 3 322.424 2.125 20 0 DEADHO O=C(Nc1ccc2c(c1)CNC2)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000415986060 295942360 /nfs/dbraw/zinc/94/23/60/295942360.db2.gz APMMHCVKKGWBRT-KRWDZBQOSA-N 1 3 314.433 2.382 20 0 DEADHO [NH3+]CCC[C@@H](NC(=O)[C@H]1CNCc2ccccc21)c1ccccc1 ZINC000581547491 357204890 /nfs/dbraw/zinc/20/48/90/357204890.db2.gz FMNQQIMYQUETIX-RBUKOAKNSA-N 1 3 323.440 2.470 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000352339504 283245967 /nfs/dbraw/zinc/24/59/67/283245967.db2.gz FHDJXGPYQMGCCB-INIZCTEOSA-N 1 3 312.502 2.234 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H](C)C[C@H](C)[NH3+])N(C)C ZINC000581665847 357226634 /nfs/dbraw/zinc/22/66/34/357226634.db2.gz JYTYSTGDNIZYNU-IVSAIRAKSA-N 1 3 320.481 2.411 20 0 DEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000584834037 357318276 /nfs/dbraw/zinc/31/82/76/357318276.db2.gz NRRXTUOMUCLPGW-DLBZAZTESA-N 1 3 309.498 2.129 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+]CCCc2cnn(C)c2)cc1 ZINC000588687845 357417904 /nfs/dbraw/zinc/41/79/04/357417904.db2.gz VTFFZIXYKSRQNW-UHFFFAOYSA-N 1 3 316.449 2.083 20 0 DEADHO C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)N1CCCC[C@H]1C ZINC000589208847 357455744 /nfs/dbraw/zinc/45/57/44/357455744.db2.gz HSPXRWOGZDHLTL-BRWVUGGUSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)Oc1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000590817453 357620153 /nfs/dbraw/zinc/62/01/53/357620153.db2.gz VAUHNRAZTZRDLX-UHFFFAOYSA-N 1 3 321.465 2.039 20 0 DEADHO CCOC(=O)C1([C@@H](C)N[C@@H](C)c2c(C)noc2C)CC[NH2+]CC1 ZINC000591566840 357737177 /nfs/dbraw/zinc/73/71/77/357737177.db2.gz XTHVEFUWNRFVOW-SMDDNHRTSA-N 1 3 323.437 2.263 20 0 DEADHO C[C@@H]1CN(CCOCC2CCCC2)CC[N@@H+]1C1CCN(C)CC1 ZINC000459367545 283300160 /nfs/dbraw/zinc/30/01/60/283300160.db2.gz FQJICLJZYMZCEZ-QGZVFWFLSA-N 1 3 323.525 2.294 20 0 DEADHO C[C@@H]1CN(CCOCC2CCCC2)CC[N@H+]1C1CCN(C)CC1 ZINC000459367545 283300165 /nfs/dbraw/zinc/30/01/65/283300165.db2.gz FQJICLJZYMZCEZ-QGZVFWFLSA-N 1 3 323.525 2.294 20 0 DEADHO C[C@H]1CN(CCCC[NH2+]Cc2cccc3nccn32)C[C@H](C)O1 ZINC000179596775 199061312 /nfs/dbraw/zinc/06/13/12/199061312.db2.gz OTACPXXHLBIZTM-HOTGVXAUSA-N 1 3 316.449 2.313 20 0 DEADHO C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000662685970 540332853 /nfs/dbraw/zinc/33/28/53/540332853.db2.gz JKBZHKKIPBGJSV-CVEARBPZSA-N 1 3 319.449 2.310 20 0 DEADHO CCN(C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)[C@@H]1CCN(CC)C1 ZINC000664395648 540345191 /nfs/dbraw/zinc/34/51/91/540345191.db2.gz HVAJETCVNAVTOQ-DLBZAZTESA-N 1 3 324.513 2.090 20 0 DEADHO CCN(C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)[C@@H]1CCN(CC)C1 ZINC000664395648 540345193 /nfs/dbraw/zinc/34/51/93/540345193.db2.gz HVAJETCVNAVTOQ-DLBZAZTESA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H]2CCCN2C2CC2)C1 ZINC000494283421 283316898 /nfs/dbraw/zinc/31/68/98/283316898.db2.gz WGSKKVALTBYWIK-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCCN2C2CC2)C1 ZINC000494283421 283316903 /nfs/dbraw/zinc/31/69/03/283316903.db2.gz WGSKKVALTBYWIK-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2CCCN2C2CC2)C1 ZINC000494283423 283316942 /nfs/dbraw/zinc/31/69/42/283316942.db2.gz WGSKKVALTBYWIK-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CCCN2C2CC2)C1 ZINC000494283423 283316946 /nfs/dbraw/zinc/31/69/46/283316946.db2.gz WGSKKVALTBYWIK-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1C[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)CN1C1CC1 ZINC000458505945 291138506 /nfs/dbraw/zinc/13/85/06/291138506.db2.gz GCHXIJAMTHMGRV-KBPBESRZSA-N 1 3 310.486 2.031 20 0 DEADHO CCC1([NH2+]CC2CC2)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001422027708 1172242519 /nfs/dbraw/zinc/24/25/19/1172242519.db2.gz DJEUHGUZJKTTOO-HNNXBMFYSA-N 1 3 307.482 2.099 20 0 DEADHO CCN(CC[NH3+])C(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000627015094 366405222 /nfs/dbraw/zinc/40/52/22/366405222.db2.gz JLPGDFDZJAZYCX-QGZVFWFLSA-N 1 3 320.481 2.133 20 0 DEADHO c1cc2n(n1)C[C@@H](C[NH2+]C1CCN(CC3CCCC3)CC1)CN2 ZINC000595154700 358396450 /nfs/dbraw/zinc/39/64/50/358396450.db2.gz VOCQYMWPFDHQRB-INIZCTEOSA-N 1 3 317.481 2.169 20 0 DEADHO c1cc2n(n1)C[C@@H](CNC1CC[NH+](CC3CCCC3)CC1)CN2 ZINC000595154700 358396452 /nfs/dbraw/zinc/39/64/52/358396452.db2.gz VOCQYMWPFDHQRB-INIZCTEOSA-N 1 3 317.481 2.169 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N[C@H](C)CN2CCC(C)CC2)CC1 ZINC000618989270 363659844 /nfs/dbraw/zinc/65/98/44/363659844.db2.gz LVQZLTJMEUBJQN-MRXNPFEDSA-N 1 3 309.498 2.343 20 0 DEADHO CC1(C)CCCN(CCNC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667735311 540517218 /nfs/dbraw/zinc/51/72/18/540517218.db2.gz PSYGSHLNPRTWNC-UHFFFAOYSA-N 1 3 304.438 2.389 20 0 DEADHO O=C(Nc1cccc2c1CCNC2)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000667754024 540520725 /nfs/dbraw/zinc/52/07/25/540520725.db2.gz SJUDNOZOHGBBBG-GJZGRUSLSA-N 1 3 314.433 2.081 20 0 DEADHO O=C(Nc1cccc2c1CCNC2)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000667754024 540520730 /nfs/dbraw/zinc/52/07/30/540520730.db2.gz SJUDNOZOHGBBBG-GJZGRUSLSA-N 1 3 314.433 2.081 20 0 DEADHO CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000667854170 540539894 /nfs/dbraw/zinc/53/98/94/540539894.db2.gz WPBVGRYFEBNBOD-INIZCTEOSA-N 1 3 302.422 2.284 20 0 DEADHO C[C@@H](NCC1=CC[NH2+]CC1)c1cccc(N2CCOC2=O)c1 ZINC000497256461 283457937 /nfs/dbraw/zinc/45/79/37/283457937.db2.gz FWUDXJBUVHYRLP-CYBMUJFWSA-N 1 3 301.390 2.214 20 0 DEADHO Cc1ccccc1CN1CCC(NC(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000237728606 202340178 /nfs/dbraw/zinc/34/01/78/202340178.db2.gz SRTIYDOMEJOWBB-IBGZPJMESA-N 1 3 315.461 2.075 20 0 DEADHO N[C@@H](CC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000237870438 202375322 /nfs/dbraw/zinc/37/53/22/202375322.db2.gz FOSUMCIPEGTTML-SJORKVTESA-N 1 3 301.434 2.163 20 0 DEADHO C[N@H+](CCCN1CCCC1)CCC(=O)N1CCc2ccccc21 ZINC000281243693 216180777 /nfs/dbraw/zinc/18/07/77/216180777.db2.gz GHKSKFGHNAPTBB-UHFFFAOYSA-N 1 3 315.461 2.384 20 0 DEADHO C[N@@H+](CCCN1CCCC1)CCC(=O)N1CCc2ccccc21 ZINC000281243693 216180780 /nfs/dbraw/zinc/18/07/80/216180780.db2.gz GHKSKFGHNAPTBB-UHFFFAOYSA-N 1 3 315.461 2.384 20 0 DEADHO C[C@@H]([NH3+])CNC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000669402613 540826101 /nfs/dbraw/zinc/82/61/01/540826101.db2.gz RNVCOEOCNYHHTF-NVXWUHKLSA-N 1 3 318.465 2.106 20 0 DEADHO Cc1ncc([C@H](C)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c(C)n1 ZINC000682070100 542259075 /nfs/dbraw/zinc/25/90/75/542259075.db2.gz JPIBUYKYBBEJHG-HIFRSBDPSA-N 1 3 320.481 2.179 20 0 DEADHO C[C@@H]([NH3+])CCC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000193305072 201026235 /nfs/dbraw/zinc/02/62/35/201026235.db2.gz NAZKQXMCVIAXEI-ZIAGYGMSSA-N 1 3 309.479 2.204 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+][C@H]2CC[C@@H](CO)CC2)cc1 ZINC000675102768 541288526 /nfs/dbraw/zinc/28/85/26/541288526.db2.gz XHWZCKLCNYZERI-CALCHBBNSA-N 1 3 306.450 2.268 20 0 DEADHO N[C@]12CCC[C@H]1C[N@H+](CCC(=O)NCc1ccccc1Cl)C2 ZINC000621780336 364543414 /nfs/dbraw/zinc/54/34/14/364543414.db2.gz QTBYRAARXBJQBY-YOEHRIQHSA-N 1 3 321.852 2.160 20 0 DEADHO N[C@]12CCC[C@H]1C[N@@H+](CCC(=O)NCc1ccccc1Cl)C2 ZINC000621780336 364543419 /nfs/dbraw/zinc/54/34/19/364543419.db2.gz QTBYRAARXBJQBY-YOEHRIQHSA-N 1 3 321.852 2.160 20 0 DEADHO CN(C)Cc1cccc(NC(=O)NCC2(C)CC[NH2+]CC2)c1 ZINC000623062204 364872424 /nfs/dbraw/zinc/87/24/24/364872424.db2.gz MLPDNUCLWMDDHW-UHFFFAOYSA-N 1 3 304.438 2.259 20 0 DEADHO C[C@@H]1CCN(C(=O)Nc2cccc(CN(C)C)c2)C[C@@H]1C[NH3+] ZINC000623069703 364873591 /nfs/dbraw/zinc/87/35/91/364873591.db2.gz MXDFLAHDWCTENS-HIFRSBDPSA-N 1 3 304.438 2.197 20 0 DEADHO CCO[C@H](CC[NH+](C)C)CNCc1ccnn1C1CCCC1 ZINC000449227046 240218755 /nfs/dbraw/zinc/21/87/55/240218755.db2.gz ZNRGTPNHHULSLT-QGZVFWFLSA-N 1 3 308.470 2.445 20 0 DEADHO COCCC[NH+]1CCC(NCc2cccc3n[nH]cc32)CC1 ZINC000623396000 365014585 /nfs/dbraw/zinc/01/45/85/365014585.db2.gz FDPXRPPXLNIXDD-UHFFFAOYSA-N 1 3 302.422 2.153 20 0 DEADHO C[NH+](C)C1(CNC(=O)NC[C@@H]2CCN2C2CCCCC2)CCC1 ZINC000623916078 365218340 /nfs/dbraw/zinc/21/83/40/365218340.db2.gz BWKPPACVHWXFPJ-INIZCTEOSA-N 1 3 322.497 2.177 20 0 DEADHO FC(F)CN1CCC[C@H]1CNC1CC[NH+](CC2CC2)CC1 ZINC000624096101 365287625 /nfs/dbraw/zinc/28/76/25/365287625.db2.gz SXXMGPVLDQSGMX-HNNXBMFYSA-N 1 3 301.425 2.180 20 0 DEADHO C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc(F)c1 ZINC000423453866 299361450 /nfs/dbraw/zinc/36/14/50/299361450.db2.gz KZUHBLNFSLRYKE-XZOAIXRZSA-N 1 3 319.424 2.123 20 0 DEADHO CC1(C)[NH2+]CC[C@H]1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000449750625 241037653 /nfs/dbraw/zinc/03/76/53/241037653.db2.gz JKNLQJVXYYMHQQ-QGZVFWFLSA-N 1 3 315.461 2.155 20 0 DEADHO CN(C)Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000628754139 366955705 /nfs/dbraw/zinc/95/57/05/366955705.db2.gz GPYXAJQWNHCBHS-MRXNPFEDSA-N 1 3 303.450 2.210 20 0 DEADHO CN(C)Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000628754139 366955711 /nfs/dbraw/zinc/95/57/11/366955711.db2.gz GPYXAJQWNHCBHS-MRXNPFEDSA-N 1 3 303.450 2.210 20 0 DEADHO [NH3+][C@@H]1CCCCC[C@@H]1NCC[C@@H](O)COCc1ccccc1 ZINC000629555211 367247385 /nfs/dbraw/zinc/24/73/85/367247385.db2.gz RWPZHEQQUOYWOM-KURKYZTESA-N 1 3 306.450 2.204 20 0 DEADHO CCC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1CCC2(CNC2)O1 ZINC000629574773 367256343 /nfs/dbraw/zinc/25/63/43/367256343.db2.gz KNHFDXTZBWSDRZ-KRWDZBQOSA-N 1 3 304.434 2.428 20 0 DEADHO CCC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1CCC2(CNC2)O1 ZINC000629574773 367256344 /nfs/dbraw/zinc/25/63/44/367256344.db2.gz KNHFDXTZBWSDRZ-KRWDZBQOSA-N 1 3 304.434 2.428 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC[C@H](O)C[NH+]1CCCC1)N(C)C ZINC000629577764 367258576 /nfs/dbraw/zinc/25/85/76/367258576.db2.gz UEWIDCKCCRISNP-LNLFQRSKSA-N 1 3 319.493 2.033 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC[C@@H](O)C[NH+]1CCCC1)N(C)C ZINC000629577765 367259050 /nfs/dbraw/zinc/25/90/50/367259050.db2.gz UEWIDCKCCRISNP-SCTDSRPQSA-N 1 3 319.493 2.033 20 0 DEADHO CN(CCOCC[NH3+])Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000629663094 367291890 /nfs/dbraw/zinc/29/18/90/367291890.db2.gz GZHGKSHYXRJDLS-UHFFFAOYSA-N 1 3 324.318 2.174 20 0 DEADHO COc1cccc(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1OC ZINC000677237109 541563184 /nfs/dbraw/zinc/56/31/84/541563184.db2.gz OJKAGZKPORERND-HZPDHXFCSA-N 1 3 304.434 2.463 20 0 DEADHO COc1cccc(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1OC ZINC000677237109 541563191 /nfs/dbraw/zinc/56/31/91/541563191.db2.gz OJKAGZKPORERND-HZPDHXFCSA-N 1 3 304.434 2.463 20 0 DEADHO O=C([C@H]1CCCN1C1CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000495097026 296107932 /nfs/dbraw/zinc/10/79/32/296107932.db2.gz FFKMRIYYCRRQEL-QGZVFWFLSA-N 1 3 305.466 2.090 20 0 DEADHO COc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCN(CCN(C)C)CC1 ZINC000631566334 368289313 /nfs/dbraw/zinc/28/93/13/368289313.db2.gz OWBXDSKLQQQECR-IBGZPJMESA-N 1 3 317.477 2.298 20 0 DEADHO CN1CCC[C@H](C[N@H+](C)Cc2ccccc2N2CCOCC2)C1 ZINC000092253849 193180223 /nfs/dbraw/zinc/18/02/23/193180223.db2.gz JPRRQVORIVAYDK-KRWDZBQOSA-N 1 3 317.477 2.297 20 0 DEADHO CN1CCC[C@H](C[N@@H+](C)Cc2ccccc2N2CCOCC2)C1 ZINC000092253849 193180225 /nfs/dbraw/zinc/18/02/25/193180225.db2.gz JPRRQVORIVAYDK-KRWDZBQOSA-N 1 3 317.477 2.297 20 0 DEADHO [NH3+]CCCOC1CCN(Cc2cccc3c2CCOC3)CC1 ZINC000631822603 368403649 /nfs/dbraw/zinc/40/36/49/368403649.db2.gz JEMIAJPFVJBVKD-UHFFFAOYSA-N 1 3 304.434 2.089 20 0 DEADHO C[NH+](C)CCOC1CCN(Cc2n[nH]c3ccccc32)CC1 ZINC000678261491 541702925 /nfs/dbraw/zinc/70/29/25/541702925.db2.gz UBUAXKKKRYOYIC-UHFFFAOYSA-N 1 3 302.422 2.106 20 0 DEADHO C[NH+](C)CCOC1CCN(Cc2[nH]nc3ccccc32)CC1 ZINC000678261491 541702929 /nfs/dbraw/zinc/70/29/29/541702929.db2.gz UBUAXKKKRYOYIC-UHFFFAOYSA-N 1 3 302.422 2.106 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000678284815 541707065 /nfs/dbraw/zinc/70/70/65/541707065.db2.gz IWQNCNHQZXLDRW-QZTJIDSGSA-N 1 3 318.461 2.485 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000678284815 541707069 /nfs/dbraw/zinc/70/70/69/541707069.db2.gz IWQNCNHQZXLDRW-QZTJIDSGSA-N 1 3 318.461 2.485 20 0 DEADHO CN1CCC[C@@H]2C[N@H+](Cc3ccccc3-n3cncn3)CC[C@@H]21 ZINC000678340738 541714288 /nfs/dbraw/zinc/71/42/88/541714288.db2.gz VOJOQZNXISXMPS-WBVHZDCISA-N 1 3 311.433 2.183 20 0 DEADHO CN1CCC[C@@H]2C[N@@H+](Cc3ccccc3-n3cncn3)CC[C@@H]21 ZINC000678340738 541714291 /nfs/dbraw/zinc/71/42/91/541714291.db2.gz VOJOQZNXISXMPS-WBVHZDCISA-N 1 3 311.433 2.183 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000275126229 212136244 /nfs/dbraw/zinc/13/62/44/212136244.db2.gz LGLSLCGKWITXFF-QAPCUYQASA-N 1 3 315.461 2.013 20 0 DEADHO C[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)N1CCCCCC1 ZINC000261729866 203103126 /nfs/dbraw/zinc/10/31/26/203103126.db2.gz LTJFEZVWWGLYOH-RYQLBKOJSA-N 1 3 315.461 2.204 20 0 DEADHO CN(C)[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)c1ccccc1 ZINC000261835509 203129373 /nfs/dbraw/zinc/12/93/73/203129373.db2.gz YALLESHVDGQUFC-VSZNYVQBSA-N 1 3 315.461 2.326 20 0 DEADHO CN(C)CCOc1ccc(NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000261839604 203130700 /nfs/dbraw/zinc/13/07/00/203130700.db2.gz IQYXLOQZIRYPBT-PBHICJAKSA-N 1 3 319.449 2.473 20 0 DEADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000262017664 203176148 /nfs/dbraw/zinc/17/61/48/203176148.db2.gz YBSXVYWUHWRMKH-ZWKOTPCHSA-N 1 3 315.461 2.238 20 0 DEADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)C2(N)CC2)c1 ZINC000262130376 203206822 /nfs/dbraw/zinc/20/68/22/203206822.db2.gz MJBQXLYFABQDAC-UHFFFAOYSA-N 1 3 303.450 2.416 20 0 DEADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C2(N)CC2)c1 ZINC000262130376 203206826 /nfs/dbraw/zinc/20/68/26/203206826.db2.gz MJBQXLYFABQDAC-UHFFFAOYSA-N 1 3 303.450 2.416 20 0 DEADHO CC(C)[C@H]([NH2+]C1CCN(CC2CC2)CC1)C(=O)N1CCCC1 ZINC000678772949 541763693 /nfs/dbraw/zinc/76/36/93/541763693.db2.gz IBBFAARLOPAPPB-KRWDZBQOSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000262651637 203366170 /nfs/dbraw/zinc/36/61/70/203366170.db2.gz RGQXLYAYIXFXIF-CWRNSKLLSA-N 1 3 303.450 2.359 20 0 DEADHO CCN(C(=O)N[C@H](C)CC[NH3+])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418546294 284188051 /nfs/dbraw/zinc/18/80/51/284188051.db2.gz JJVWQONFSXYAKG-NVXWUHKLSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@H]([NH2+]C[C@@H](O)C1CCC1)c1ccc(OCCN(C)C)cc1 ZINC000453389517 245109159 /nfs/dbraw/zinc/10/91/59/245109159.db2.gz RKXDGMINEWHPKO-KBXCAEBGSA-N 1 3 306.450 2.439 20 0 DEADHO CN(C(=O)[C@H]1CCCN1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000264966120 204310490 /nfs/dbraw/zinc/31/04/90/204310490.db2.gz BWBCJEWUWYJBOC-GOSISDBHSA-N 1 3 315.461 2.204 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000177842422 284342532 /nfs/dbraw/zinc/34/25/32/284342532.db2.gz PNCDFUMEHKSEPE-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000177842422 284342533 /nfs/dbraw/zinc/34/25/33/284342533.db2.gz PNCDFUMEHKSEPE-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(CN(C)C)cc1 ZINC000288328936 220088210 /nfs/dbraw/zinc/08/82/10/220088210.db2.gz JGSRTMVYJQJDTR-YJBOKZPZSA-N 1 3 315.461 2.447 20 0 DEADHO C[C@H](NC(=O)N1CC[C@@]2(C1)CCCN(C)C2)C(C)(C)C[NH+](C)C ZINC000458533134 248359719 /nfs/dbraw/zinc/35/97/19/248359719.db2.gz XEBADBCPHQADTG-YJBOKZPZSA-N 1 3 324.513 2.090 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2CCO)cc1 ZINC000681704629 542192674 /nfs/dbraw/zinc/19/26/74/542192674.db2.gz HDAOCRJFVAJRRX-FUHWJXTLSA-N 1 3 306.450 2.268 20 0 DEADHO CC(C)[NH+](CCNC(=O)NCCN1CCC[C@@H](C)C1)C(C)C ZINC000043063754 183333329 /nfs/dbraw/zinc/33/33/29/183333329.db2.gz QSJGMNDWOWHELN-MRXNPFEDSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@@H]1CC2(CN1CC(=O)N1[C@@H](C)CCC[C@@H]1C)CC[NH2+]CC2 ZINC000424294448 296294257 /nfs/dbraw/zinc/29/42/57/296294257.db2.gz QKBDDNZDFMNFHD-HRCADAONSA-N 1 3 307.482 2.240 20 0 DEADHO COCC1(CN[C@H](C)c2nc3ccccc3n2C)CC[NH2+]CC1 ZINC000423407544 284825497 /nfs/dbraw/zinc/82/54/97/284825497.db2.gz MQEMEXPXFRIPPM-CQSZACIVSA-N 1 3 316.449 2.240 20 0 DEADHO CC[NH+](CC)Cc1ccc(CNC(=O)CN(C)C(C)C)cc1 ZINC000063465149 184282119 /nfs/dbraw/zinc/28/21/19/184282119.db2.gz WPPOPXPLBGVRDX-UHFFFAOYSA-N 1 3 305.466 2.485 20 0 DEADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000066174424 184394948 /nfs/dbraw/zinc/39/49/48/184394948.db2.gz BISLOYBBHCQFRL-WBVHZDCISA-N 1 3 320.481 2.319 20 0 DEADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000066174424 184394949 /nfs/dbraw/zinc/39/49/49/184394949.db2.gz BISLOYBBHCQFRL-WBVHZDCISA-N 1 3 320.481 2.319 20 0 DEADHO CCCN(CCC[NH+](C)C)C(=O)N[C@H](CC)CN1CCCC1 ZINC000682466684 542302880 /nfs/dbraw/zinc/30/28/80/542302880.db2.gz VBXMBLVCOMBJJV-MRXNPFEDSA-N 1 3 312.502 2.234 20 0 DEADHO CC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000682784062 542356062 /nfs/dbraw/zinc/35/60/62/542356062.db2.gz UXCOOSGTLPJIMR-SFHVURJKSA-N 1 3 306.450 2.364 20 0 DEADHO CC[C@@]1(CO)CCC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000682784062 542356066 /nfs/dbraw/zinc/35/60/66/542356066.db2.gz UXCOOSGTLPJIMR-SFHVURJKSA-N 1 3 306.450 2.364 20 0 DEADHO CC(C)(C[NH2+]Cc1ccccc1-n1cncn1)CN1CCCC1 ZINC000682953437 542382162 /nfs/dbraw/zinc/38/21/62/542382162.db2.gz FHTRAFLFITZDNU-UHFFFAOYSA-N 1 3 313.449 2.479 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000158461081 197274067 /nfs/dbraw/zinc/27/40/67/197274067.db2.gz UMRCIUOPGSFXGF-INIZCTEOSA-N 1 3 312.502 2.088 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000158461081 197274068 /nfs/dbraw/zinc/27/40/68/197274068.db2.gz UMRCIUOPGSFXGF-INIZCTEOSA-N 1 3 312.502 2.088 20 0 DEADHO COCC[C@](C)(O)CNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000358721599 285182039 /nfs/dbraw/zinc/18/20/39/285182039.db2.gz XKPIYABAYBTQCE-NJAFHUGGSA-N 1 3 312.498 2.407 20 0 DEADHO COCC[C@](C)(O)C[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000358721599 285182042 /nfs/dbraw/zinc/18/20/42/285182042.db2.gz XKPIYABAYBTQCE-NJAFHUGGSA-N 1 3 312.498 2.407 20 0 DEADHO COc1cc2nccc(N[C@@H](C)CC[NH+](C)C)c2cc1OC ZINC000413093158 533146643 /nfs/dbraw/zinc/14/66/43/533146643.db2.gz HVNSYVPOYYBDFI-LBPRGKRZSA-N 1 3 303.406 2.426 20 0 DEADHO CN(CCCNC(=O)C1CCC1)C1CC[NH+](CC2CC2)CC1 ZINC000683361684 542437058 /nfs/dbraw/zinc/43/70/58/542437058.db2.gz KJGPQHKOTHTZNN-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000684141503 542556650 /nfs/dbraw/zinc/55/66/50/542556650.db2.gz YOGVIGQERCMUEP-HZPDHXFCSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@@H]1CCCCN1 ZINC000422988469 533367537 /nfs/dbraw/zinc/36/75/37/533367537.db2.gz KPTXBWGODWEZBC-QAPCUYQASA-N 1 3 302.466 2.418 20 0 DEADHO C/C(=C\c1ccccc1)C[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000356909361 533411238 /nfs/dbraw/zinc/41/12/38/533411238.db2.gz BYDLYIVNMSJPFB-QCUIPMNBSA-N 1 3 315.461 2.267 20 0 DEADHO COc1ccc(C2(C[NH2+][C@H]3CCC[C@H]3CN)CCOCC2)cc1 ZINC000422905467 533426448 /nfs/dbraw/zinc/42/64/48/533426448.db2.gz ZCFWSPNFXBIOJJ-YJBOKZPZSA-N 1 3 318.461 2.460 20 0 DEADHO C[C@@H](NC[C@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCC[NH2+]1 ZINC000423076318 533435033 /nfs/dbraw/zinc/43/50/33/533435033.db2.gz QVWLTERKKAYOMO-NEWSRXKRSA-N 1 3 317.477 2.008 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CCN1C ZINC000417754109 533625584 /nfs/dbraw/zinc/62/55/84/533625584.db2.gz PDRYNKSYRSFWQG-PVAVHDDUSA-N 1 3 318.465 2.249 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)[C@H](C)O1 ZINC000295644146 533651638 /nfs/dbraw/zinc/65/16/38/533651638.db2.gz IHHADDKHYVQMEI-ZRGWGRIASA-N 1 3 318.461 2.299 20 0 DEADHO C[N@@H+]1CC[C@H](NCCN2CCSCC2)C[C@H]1c1ccccc1 ZINC000340235275 131241305 /nfs/dbraw/zinc/24/13/05/131241305.db2.gz JCDFLYMOFXXELJ-ROUUACIJSA-N 1 3 319.518 2.460 20 0 DEADHO C[N@H+]1CC[C@H](NCCN2CCSCC2)C[C@H]1c1ccccc1 ZINC000340235275 131241306 /nfs/dbraw/zinc/24/13/06/131241306.db2.gz JCDFLYMOFXXELJ-ROUUACIJSA-N 1 3 319.518 2.460 20 0 DEADHO CN1CCC(Cc2nc(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)no2)CC1 ZINC000685326759 542719074 /nfs/dbraw/zinc/71/90/74/542719074.db2.gz CSGLAVVALWZCIJ-GOOCMWNKSA-N 1 3 304.438 2.294 20 0 DEADHO CN1CCC(Cc2nc(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)no2)CC1 ZINC000685326759 542719077 /nfs/dbraw/zinc/71/90/77/542719077.db2.gz CSGLAVVALWZCIJ-GOOCMWNKSA-N 1 3 304.438 2.294 20 0 DEADHO CSC1(CN2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)CC1 ZINC000347843290 132794395 /nfs/dbraw/zinc/79/43/95/132794395.db2.gz GLJRZWNGQJNHSJ-HZPDHXFCSA-N 1 3 311.539 2.372 20 0 DEADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000355384675 133022867 /nfs/dbraw/zinc/02/28/67/133022867.db2.gz QGSVOPYEOFQDSV-NVXWUHKLSA-N 1 3 319.493 2.442 20 0 DEADHO C[C@@H](CNC(=O)NCC1([NH+](C)C)CCCCCC1)N(C)C1CC1 ZINC000356120691 133067182 /nfs/dbraw/zinc/06/71/82/133067182.db2.gz VSBUPXSQXZWZQP-HNNXBMFYSA-N 1 3 324.513 2.423 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000357920502 133109776 /nfs/dbraw/zinc/10/97/76/133109776.db2.gz OWGLGWPJYPPODK-CABCVRRESA-N 1 3 310.486 2.056 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000357920502 133109777 /nfs/dbraw/zinc/10/97/77/133109777.db2.gz OWGLGWPJYPPODK-CABCVRRESA-N 1 3 310.486 2.056 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC(C[NH+](C)C)CC1)N1CCCCC1 ZINC000358017290 133115581 /nfs/dbraw/zinc/11/55/81/133115581.db2.gz VRAQGQUAZRYLRJ-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1=CCN(C)CC1 ZINC000358087382 133120205 /nfs/dbraw/zinc/12/02/05/133120205.db2.gz DMPWLMQTBHQXFP-GDBMZVCRSA-N 1 3 324.513 2.302 20 0 DEADHO C[C@H](NC(=O)NCCN(C)C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358119025 133122564 /nfs/dbraw/zinc/12/25/64/133122564.db2.gz VSNBEMNZMSUWKE-GJZGRUSLSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](NC(=O)NCCN(C)C1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358119025 133122565 /nfs/dbraw/zinc/12/25/65/133122565.db2.gz VSNBEMNZMSUWKE-GJZGRUSLSA-N 1 3 322.497 2.033 20 0 DEADHO CN(C[C@@H]1CCCN(C)C1)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000358234690 133130246 /nfs/dbraw/zinc/13/02/46/133130246.db2.gz LJOHYIZKSIQTOK-MRXNPFEDSA-N 1 3 324.513 2.092 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000362077023 133209167 /nfs/dbraw/zinc/20/91/67/133209167.db2.gz IJKCFMHSJSQABT-DLBZAZTESA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000362077023 133209168 /nfs/dbraw/zinc/20/91/68/133209168.db2.gz IJKCFMHSJSQABT-DLBZAZTESA-N 1 3 307.482 2.242 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000362713143 133246986 /nfs/dbraw/zinc/24/69/86/133246986.db2.gz ATJXXDQYHKKDCW-YJBOKZPZSA-N 1 3 317.477 2.294 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000362713143 133246987 /nfs/dbraw/zinc/24/69/87/133246987.db2.gz ATJXXDQYHKKDCW-YJBOKZPZSA-N 1 3 317.477 2.294 20 0 DEADHO CN(C)CC1(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000563396659 292053255 /nfs/dbraw/zinc/05/32/55/292053255.db2.gz ALKWXTNRSGXZEL-KRWDZBQOSA-N 1 3 315.461 2.109 20 0 DEADHO CN(C)CC1(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000563396659 292053256 /nfs/dbraw/zinc/05/32/56/292053256.db2.gz ALKWXTNRSGXZEL-KRWDZBQOSA-N 1 3 315.461 2.109 20 0 DEADHO CC(C)(C[NH+]1CCCC1)NC(=O)Nc1ccc2c(c1)CNC2 ZINC000563506692 292060070 /nfs/dbraw/zinc/06/00/70/292060070.db2.gz XIWWWEKVZFRLSS-UHFFFAOYSA-N 1 3 302.422 2.286 20 0 DEADHO CC[C@H](C)[C@@H](N)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000246519274 145105878 /nfs/dbraw/zinc/10/58/78/145105878.db2.gz REJOVHKGGAGSKK-YQQAZPJKSA-N 1 3 305.466 2.387 20 0 DEADHO CC[C@H](C)[C@@H](N)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000246519274 145105879 /nfs/dbraw/zinc/10/58/79/145105879.db2.gz REJOVHKGGAGSKK-YQQAZPJKSA-N 1 3 305.466 2.387 20 0 DEADHO O[C@@H]1C[NH2+]C[C@H]1CNCC(Cc1ccccc1)Cc1ccccc1 ZINC000414787364 296571050 /nfs/dbraw/zinc/57/10/50/296571050.db2.gz MQLGEDQAQHCXRW-NHCUHLMSSA-N 1 3 324.468 2.258 20 0 DEADHO Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000248050877 145147379 /nfs/dbraw/zinc/14/73/79/145147379.db2.gz WIPAPYDMWLHDDH-RCCFBDPRSA-N 1 3 318.461 2.151 20 0 DEADHO Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000248050877 145147380 /nfs/dbraw/zinc/14/73/80/145147380.db2.gz WIPAPYDMWLHDDH-RCCFBDPRSA-N 1 3 318.461 2.151 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000248865503 145170545 /nfs/dbraw/zinc/17/05/45/145170545.db2.gz GPQLNWQRKODMND-ZACQAIPSSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000248865503 145170548 /nfs/dbraw/zinc/17/05/48/145170548.db2.gz GPQLNWQRKODMND-ZACQAIPSSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H](NC(=O)[C@H]1CCCCN1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261539439 145206477 /nfs/dbraw/zinc/20/64/77/145206477.db2.gz CLIIZWPYSMFRFX-CGTJXYLNSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H](NC(=O)[C@H]1CCCCN1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261539439 145206478 /nfs/dbraw/zinc/20/64/78/145206478.db2.gz CLIIZWPYSMFRFX-CGTJXYLNSA-N 1 3 315.461 2.155 20 0 DEADHO [NH3+][C@@H]1CC[C@@H]2CN(CCC(=O)Nc3cccc(Cl)c3)C[C@@H]12 ZINC000261733415 145221677 /nfs/dbraw/zinc/22/16/77/145221677.db2.gz RJQBRXJNVOGSND-KCPJHIHWSA-N 1 3 307.825 2.338 20 0 DEADHO CC(C)COc1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000261827844 145231438 /nfs/dbraw/zinc/23/14/38/145231438.db2.gz ABWAGVQEDANZQK-GOSISDBHSA-N 1 3 317.477 2.201 20 0 DEADHO CC(C)COc1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000261827847 145231579 /nfs/dbraw/zinc/23/15/79/145231579.db2.gz ABWAGVQEDANZQK-SFHVURJKSA-N 1 3 317.477 2.201 20 0 DEADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000261831567 145231985 /nfs/dbraw/zinc/23/19/85/145231985.db2.gz OJASUYLWDCQZJO-RDJZCZTQSA-N 1 3 315.461 2.094 20 0 DEADHO C[NH2+]CCC1CCN([C@H](C)C(=O)NCc2ccc(F)cc2)CC1 ZINC000261986260 145250337 /nfs/dbraw/zinc/25/03/37/145250337.db2.gz KAPZIGQDKDPNBT-CQSZACIVSA-N 1 3 321.440 2.152 20 0 DEADHO C[C@@H](CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)N1CCC(C)CC1 ZINC000262025865 145254826 /nfs/dbraw/zinc/25/48/26/145254826.db2.gz AYSQYUTYDLJKAS-XYJFISCASA-N 1 3 307.482 2.003 20 0 DEADHO CCC[NH+]1CCC(N(C)C(=O)c2ccc3c(c2)CNC3)CC1 ZINC000262075663 145259759 /nfs/dbraw/zinc/25/97/59/145259759.db2.gz GOMLMMMUJBOGDL-UHFFFAOYSA-N 1 3 301.434 2.236 20 0 DEADHO CC(C)[NH+]1CCC(N(C)C(=O)c2ccc3c(c2)CNC3)CC1 ZINC000262113368 145263139 /nfs/dbraw/zinc/26/31/39/145263139.db2.gz JWHWVQYWLQSJBW-UHFFFAOYSA-N 1 3 301.434 2.235 20 0 DEADHO Cc1cccc(CN2CCCC[C@H]2CNC(=O)CC[NH3+])c1C ZINC000262131703 145264507 /nfs/dbraw/zinc/26/45/07/145264507.db2.gz YEYJBMCHWKNVRB-KRWDZBQOSA-N 1 3 303.450 2.123 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(N2CCCC2=O)cc1 ZINC000262344751 145278131 /nfs/dbraw/zinc/27/81/31/145278131.db2.gz USAJLFQTOSKOSQ-WBVHZDCISA-N 1 3 301.434 2.421 20 0 DEADHO COc1cc(CN2CCC(C[NH+](C)C)CC2)cc(OC)c1O ZINC000317455825 145366175 /nfs/dbraw/zinc/36/61/75/145366175.db2.gz WZCFOUGXHMAMQI-UHFFFAOYSA-N 1 3 308.422 2.183 20 0 DEADHO CO[C@@](C)([C@H](C)[NH2+]CCCN1CCN(C(C)C)CC1)C1CC1 ZINC000411967541 285907559 /nfs/dbraw/zinc/90/75/59/285907559.db2.gz IDZIOEDMILLOJO-WMZOPIPTSA-N 1 3 311.514 2.196 20 0 DEADHO C[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)[C@@H]1CCCO1 ZINC000346545457 146099454 /nfs/dbraw/zinc/09/94/54/146099454.db2.gz APWIFZAQYSJKKZ-YJBOKZPZSA-N 1 3 306.450 2.327 20 0 DEADHO C[NH2+]CCC1CCN(Cc2cc(OC)c3c(c2)OCCO3)CC1 ZINC000346686624 146124523 /nfs/dbraw/zinc/12/45/23/146124523.db2.gz RSPDQMYGCXJDIQ-UHFFFAOYSA-N 1 3 320.433 2.288 20 0 DEADHO CC[C@@H]1CC[C@@H]1[NH2+][C@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000348371112 146262426 /nfs/dbraw/zinc/26/24/26/146262426.db2.gz FEAIVLYIVJQAQI-FGTMMUONSA-N 1 3 317.477 2.054 20 0 DEADHO C[C@H](NC[C@H]1CCCC(=O)N1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348406610 146267137 /nfs/dbraw/zinc/26/71/37/146267137.db2.gz TYPPUIDOIBOFMC-RYQLBKOJSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H](NC[C@H]1CCCC(=O)N1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348406610 146267139 /nfs/dbraw/zinc/26/71/39/146267139.db2.gz TYPPUIDOIBOFMC-RYQLBKOJSA-N 1 3 315.461 2.155 20 0 DEADHO [NH3+]CCOCCN(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000357066744 147033732 /nfs/dbraw/zinc/03/37/32/147033732.db2.gz CJEPLDNKFZGNQK-UHFFFAOYSA-N 1 3 321.248 2.153 20 0 DEADHO CC(=O)Nc1ccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000357041767 147028945 /nfs/dbraw/zinc/02/89/45/147028945.db2.gz DDASVCSVYUIHMO-KRWDZBQOSA-N 1 3 301.434 2.467 20 0 DEADHO c1cc(CN2CCC([C@H]3CC[NH2+]C3)CC2)c2c(c1)OCCO2 ZINC000357061121 147033420 /nfs/dbraw/zinc/03/34/20/147033420.db2.gz ZPLGYXQANZILPK-HNNXBMFYSA-N 1 3 302.418 2.279 20 0 DEADHO CCN(C)C(=O)CN1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000357092536 147039820 /nfs/dbraw/zinc/03/98/20/147039820.db2.gz YZELFAGGIZICKR-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CCN(C)C(=O)CN1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000357092536 147039821 /nfs/dbraw/zinc/03/98/21/147039821.db2.gz YZELFAGGIZICKR-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)CN1C1CC1 ZINC000358269307 147102770 /nfs/dbraw/zinc/10/27/70/147102770.db2.gz UWYXRERQSSLWMB-LSDHHAIUSA-N 1 3 322.497 2.033 20 0 DEADHO Cc1nccn1CC[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000360940130 147413832 /nfs/dbraw/zinc/41/38/32/147413832.db2.gz DUPLOPNTMHGGDM-OAHLLOKOSA-N 1 3 316.449 2.483 20 0 DEADHO C[C@@H](CC(=O)Nc1cc(CN(C)C)ccn1)[C@@H]1CCC[NH2+]C1 ZINC000565714974 292177428 /nfs/dbraw/zinc/17/74/28/292177428.db2.gz PUBYHKDLIDGZPF-DZGCQCFKSA-N 1 3 304.438 2.108 20 0 DEADHO CC(C)COC(=O)N1CCC([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000370377082 148011575 /nfs/dbraw/zinc/01/15/75/148011575.db2.gz LOSQEJLJPCUFQM-SJORKVTESA-N 1 3 323.481 2.460 20 0 DEADHO CC(C)COC(=O)N1CCC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000370377082 148011577 /nfs/dbraw/zinc/01/15/77/148011577.db2.gz LOSQEJLJPCUFQM-SJORKVTESA-N 1 3 323.481 2.460 20 0 DEADHO CC(C)COC(=O)N1CCC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000370377082 148011578 /nfs/dbraw/zinc/01/15/78/148011578.db2.gz LOSQEJLJPCUFQM-SJORKVTESA-N 1 3 323.481 2.460 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N1CC[C@@H]2CCN(C)C[C@H]21)C(C)C ZINC000371568521 148117671 /nfs/dbraw/zinc/11/76/71/148117671.db2.gz JUMMMPUBJHDXBI-DLBZAZTESA-N 1 3 324.513 2.231 20 0 DEADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)/C=C/CN(C)C)C2)CC1 ZINC000371706298 148132749 /nfs/dbraw/zinc/13/27/49/148132749.db2.gz QPPJCUPXOKMGRP-UABRLCRWSA-N 1 3 307.482 2.075 20 0 DEADHO C[C@@]1(NCCC[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)CCO[C@@H]1C1CC1 ZINC000371717696 148133521 /nfs/dbraw/zinc/13/35/21/148133521.db2.gz UDBKRCYMSHKMLE-MKXGPGLRSA-N 1 3 322.493 2.471 20 0 DEADHO C[C@@]1([NH2+]CCCN[C@@]2(C)CCO[C@@H]2C2CC2)CCO[C@@H]1C1CC1 ZINC000371717696 148133523 /nfs/dbraw/zinc/13/35/23/148133523.db2.gz UDBKRCYMSHKMLE-MKXGPGLRSA-N 1 3 322.493 2.471 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000073665870 401720069 /nfs/dbraw/zinc/72/00/69/401720069.db2.gz RMCVBQWIABCUAV-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000073665870 401720070 /nfs/dbraw/zinc/72/00/70/401720070.db2.gz RMCVBQWIABCUAV-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)CC1 ZINC000111817688 401724671 /nfs/dbraw/zinc/72/46/71/401724671.db2.gz MNWHXULZRUMDCV-CVEARBPZSA-N 1 3 324.513 2.279 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]CC(C)(C)CN(C)C)[C@H](C)C1 ZINC000132127021 401862698 /nfs/dbraw/zinc/86/26/98/401862698.db2.gz PIWKGMVKCKLIEC-SJORKVTESA-N 1 3 313.530 2.301 20 0 DEADHO C[C@@H]1C[N@@H+](CC2CCN(Cc3ccncc3)CC2)C[C@H](C)O1 ZINC000078802007 401866119 /nfs/dbraw/zinc/86/61/19/401866119.db2.gz KFZPAYRSHINURV-IYBDPMFKSA-N 1 3 303.450 2.403 20 0 DEADHO C[C@@H]1C[N@H+](CC2CCN(Cc3ccncc3)CC2)C[C@H](C)O1 ZINC000078802007 401866123 /nfs/dbraw/zinc/86/61/23/401866123.db2.gz KFZPAYRSHINURV-IYBDPMFKSA-N 1 3 303.450 2.403 20 0 DEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NCCN2CCCCC2)C1 ZINC000078989036 401868990 /nfs/dbraw/zinc/86/89/90/401868990.db2.gz PRXFIPJEYQYRAD-KRWDZBQOSA-N 1 3 324.513 2.284 20 0 DEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NCCN2CCCCC2)C1 ZINC000078989036 401868993 /nfs/dbraw/zinc/86/89/93/401868993.db2.gz PRXFIPJEYQYRAD-KRWDZBQOSA-N 1 3 324.513 2.284 20 0 DEADHO O=C(CC1CC[NH2+]CC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000132823456 401874214 /nfs/dbraw/zinc/87/42/14/401874214.db2.gz JKZFGUUEVCXOEH-GOSISDBHSA-N 1 3 315.461 2.157 20 0 DEADHO CC[N@@H+]1CC[C@@H](NCCNC(=O)CC2CCCCC2)[C@H](C)C1 ZINC000089666316 401956950 /nfs/dbraw/zinc/95/69/50/401956950.db2.gz UAWGHNIDLSMZKT-NVXWUHKLSA-N 1 3 309.498 2.393 20 0 DEADHO CC[N@H+]1CC[C@@H](NCCNC(=O)CC2CCCCC2)[C@H](C)C1 ZINC000089666316 401956951 /nfs/dbraw/zinc/95/69/51/401956951.db2.gz UAWGHNIDLSMZKT-NVXWUHKLSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@H]1CCCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051758358 402036909 /nfs/dbraw/zinc/03/69/09/402036909.db2.gz PDJYTYMYLKOMSX-HNNXBMFYSA-N 1 3 322.497 2.129 20 0 DEADHO COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)CC2 ZINC000150962308 402006890 /nfs/dbraw/zinc/00/68/90/402006890.db2.gz LGQYSSZFLKZTNJ-IBGZPJMESA-N 1 3 317.477 2.298 20 0 DEADHO C[NH+](C)CCCC1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000123385085 402124889 /nfs/dbraw/zinc/12/48/89/402124889.db2.gz QIVCIYIGIMHMMY-SFHVURJKSA-N 1 3 320.477 2.480 20 0 DEADHO COc1ccccc1[C@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)N(C)C ZINC000153274557 402136807 /nfs/dbraw/zinc/13/68/07/402136807.db2.gz IYHZNROECRWYIT-VYDXJSESSA-N 1 3 305.466 2.370 20 0 DEADHO COc1ccccc1[C@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)N(C)C ZINC000153274557 402136808 /nfs/dbraw/zinc/13/68/08/402136808.db2.gz IYHZNROECRWYIT-VYDXJSESSA-N 1 3 305.466 2.370 20 0 DEADHO COc1ccccc1[C@H](C[NH2+][C@H]1CCN(C)[C@H](C)C1)N(C)C ZINC000153274557 402136810 /nfs/dbraw/zinc/13/68/10/402136810.db2.gz IYHZNROECRWYIT-VYDXJSESSA-N 1 3 305.466 2.370 20 0 DEADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000123969143 402157155 /nfs/dbraw/zinc/15/71/55/402157155.db2.gz BQNXAUSATYVQDZ-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000123969143 402157157 /nfs/dbraw/zinc/15/71/57/402157157.db2.gz BQNXAUSATYVQDZ-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)NCc1ccc(C[NH+](CC)CC)cc1)N(C)C ZINC000124580109 402186762 /nfs/dbraw/zinc/18/67/62/402186762.db2.gz PFNSNZKVTKHRPQ-KRWDZBQOSA-N 1 3 305.466 2.485 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H]2CCc3ccc(OC)cc32)CC1 ZINC000154251903 402201496 /nfs/dbraw/zinc/20/14/96/402201496.db2.gz CPFJIZDWXKNYRF-LJQANCHMSA-N 1 3 317.477 2.300 20 0 DEADHO C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000124373345 402176873 /nfs/dbraw/zinc/17/68/73/402176873.db2.gz HKCWQNQQPNBCNO-KBPBESRZSA-N 1 3 322.474 2.225 20 0 DEADHO C[C@@H]([NH2+]C[C@H]1CCCN1C)c1ccc(OCCN(C)C)cc1 ZINC000154514523 402216496 /nfs/dbraw/zinc/21/64/96/402216496.db2.gz RNLGBNGQHOEGNA-NVXWUHKLSA-N 1 3 305.466 2.372 20 0 DEADHO CN(Cc1ccccc1C[N@H+](C)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000106883269 402220448 /nfs/dbraw/zinc/22/04/48/402220448.db2.gz AYHVAQRRXIMPRV-QZTJIDSGSA-N 1 3 304.434 2.128 20 0 DEADHO CN(Cc1ccccc1C[N@@H+](C)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000106883269 402220450 /nfs/dbraw/zinc/22/04/50/402220450.db2.gz AYHVAQRRXIMPRV-QZTJIDSGSA-N 1 3 304.434 2.128 20 0 DEADHO CCN1CC[C@H]([NH2+]Cc2ccc(CS(C)(=O)=O)cc2)[C@H](C)C1 ZINC000125715974 402246289 /nfs/dbraw/zinc/24/62/89/402246289.db2.gz BFQZRPRTWPJNMN-PBHICJAKSA-N 1 3 324.490 2.051 20 0 DEADHO C[C@@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)N1CCCCCC1 ZINC000155200775 402248350 /nfs/dbraw/zinc/24/83/50/402248350.db2.gz FYKSPJWSYHOFNO-BBWFWOEESA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)N1CCCCCC1 ZINC000155200775 402248352 /nfs/dbraw/zinc/24/83/52/402248352.db2.gz FYKSPJWSYHOFNO-BBWFWOEESA-N 1 3 307.482 2.194 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000125822454 402252032 /nfs/dbraw/zinc/25/20/32/402252032.db2.gz MPHLLHXESXRCPJ-ARFHVFGLSA-N 1 3 322.497 2.175 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000125822454 402252035 /nfs/dbraw/zinc/25/20/35/402252035.db2.gz MPHLLHXESXRCPJ-ARFHVFGLSA-N 1 3 322.497 2.175 20 0 DEADHO CN(C)[C@@H]1CCCN(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000105126315 402205729 /nfs/dbraw/zinc/20/57/29/402205729.db2.gz URYKYJCQXDSUJB-SJORKVTESA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)N(C)C1CC1 ZINC000105128133 402207103 /nfs/dbraw/zinc/20/71/03/402207103.db2.gz ABJCRFVARLJHEM-OAHLLOKOSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)N(C)C1CC1 ZINC000105128133 402207104 /nfs/dbraw/zinc/20/71/04/402207104.db2.gz ABJCRFVARLJHEM-OAHLLOKOSA-N 1 3 324.513 2.423 20 0 DEADHO Cc1ccc(NC2CCN(C)CC2)cc1NC(=O)CC[NH+](C)C ZINC000184659351 402289387 /nfs/dbraw/zinc/28/93/87/402289387.db2.gz MWABVCDURMZSKW-UHFFFAOYSA-N 1 3 318.465 2.391 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@H]2C(C)(C)CC)CC1 ZINC000156996084 402290926 /nfs/dbraw/zinc/29/09/26/402290926.db2.gz NQYODCGTYWYTBQ-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCCCCC1)N(C)C1CC1 ZINC000185373538 402348151 /nfs/dbraw/zinc/34/81/51/402348151.db2.gz YGUAHXQMJWHTRD-LSDHHAIUSA-N 1 3 310.486 2.033 20 0 DEADHO CC1CCN(C[C@H](O)C[NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000236626472 402369448 /nfs/dbraw/zinc/36/94/48/402369448.db2.gz WIPNOTKQUGNJCU-QGZVFWFLSA-N 1 3 301.434 2.350 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC000236710403 402377168 /nfs/dbraw/zinc/37/71/68/402377168.db2.gz GXCIPPWWRBKPGY-KRWDZBQOSA-N 1 3 303.450 2.268 20 0 DEADHO C[C@H](CC(=O)NC[C@H](C)N1CCC(C)CC1)C1CC[NH2+]CC1 ZINC000236716485 402377616 /nfs/dbraw/zinc/37/76/16/402377616.db2.gz DAHVNUDCEXDAPF-CVEARBPZSA-N 1 3 309.498 2.249 20 0 DEADHO C[C@@H]1CCC[C@@](CNC(=O)N(C)CCN(C)C2CC2)([NH+](C)C)C1 ZINC000185214438 402335323 /nfs/dbraw/zinc/33/53/23/402335323.db2.gz MVJHLMTVUGLLDQ-CRAIPNDOSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H]1CCC[C@](CNC(=O)N(C)CCN(C)C2CC2)([NH+](C)C)C1 ZINC000185214494 402335477 /nfs/dbraw/zinc/33/54/77/402335477.db2.gz MVJHLMTVUGLLDQ-YJBOKZPZSA-N 1 3 324.513 2.233 20 0 DEADHO CC[C@@H](C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1)N(C)C ZINC000161694813 402395813 /nfs/dbraw/zinc/39/58/13/402395813.db2.gz YKCUZPBDJNEQGT-KRWDZBQOSA-N 1 3 305.466 2.437 20 0 DEADHO C[NH2+]C[C@H](C)C(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1 ZINC000237322609 402403753 /nfs/dbraw/zinc/40/37/53/402403753.db2.gz PBXVKYUBIHEDSO-YJBOKZPZSA-N 1 3 317.477 2.041 20 0 DEADHO C[C@@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)[C@@H]1C[NH3+] ZINC000237444509 402408522 /nfs/dbraw/zinc/40/85/22/402408522.db2.gz GBLAVULBEWRSSI-CRAIPNDOSA-N 1 3 315.461 2.482 20 0 DEADHO C[C@H](C[NH3+])N(C)C(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000237622328 402415264 /nfs/dbraw/zinc/41/52/64/402415264.db2.gz WEPWCKOSGMYOFD-CVEARBPZSA-N 1 3 317.477 2.135 20 0 DEADHO [NH3+][C@@H]1CC[C@H](C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000237959207 402428297 /nfs/dbraw/zinc/42/82/97/402428297.db2.gz FXUGUWSXVVVQTJ-LSDHHAIUSA-N 1 3 321.490 2.204 20 0 DEADHO CC[NH2+]CC1CCN(C(=O)[C@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000237026433 402391759 /nfs/dbraw/zinc/39/17/59/402391759.db2.gz STJUWJHHCNPYTN-RHSMWYFYSA-N 1 3 303.450 2.171 20 0 DEADHO CCc1ccc([C@H](CNC(=O)C[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000163603651 402453637 /nfs/dbraw/zinc/45/36/37/402453637.db2.gz HINHCGNHIDQZOJ-IRXDYDNUSA-N 1 3 303.450 2.110 20 0 DEADHO CC[C@@H](CNC(=O)CC[NH2+]C(C)C)N1CCc2ccccc2C1 ZINC000164949690 402471273 /nfs/dbraw/zinc/47/12/73/402471273.db2.gz YQSDHUHVJQTZJO-SFHVURJKSA-N 1 3 317.477 2.328 20 0 DEADHO CC1CCN([C@@H](CNC(=O)CCC[NH3+])c2ccccc2)CC1 ZINC000165731558 402478374 /nfs/dbraw/zinc/47/83/74/402478374.db2.gz FHCODMODPIPRCO-KRWDZBQOSA-N 1 3 303.450 2.315 20 0 DEADHO C[C@@H](CC(=O)NCCN(C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000165932348 402479953 /nfs/dbraw/zinc/47/99/53/402479953.db2.gz HOBQZDXECNJDRF-FUHWJXTLSA-N 1 3 317.477 2.260 20 0 DEADHO NC1(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000166413364 402484685 /nfs/dbraw/zinc/48/46/85/402484685.db2.gz DUVADTWENGXMSP-UHFFFAOYSA-N 1 3 301.434 2.170 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000167390331 402491400 /nfs/dbraw/zinc/49/14/00/402491400.db2.gz QQTUUILIGGMBPE-BBWFWOEESA-N 1 3 309.498 2.474 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000167795389 402493622 /nfs/dbraw/zinc/49/36/22/402493622.db2.gz JGNIXGIAPGQFQV-MAUKXSAKSA-N 1 3 315.461 2.470 20 0 DEADHO C[NH+](C)CCCOc1cccc(NC(=O)[C@H]2CCCCN2)c1 ZINC000168762388 402498875 /nfs/dbraw/zinc/49/88/75/402498875.db2.gz UNDWMMIMFFZLGZ-MRXNPFEDSA-N 1 3 305.422 2.098 20 0 DEADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000171054566 402553043 /nfs/dbraw/zinc/55/30/43/402553043.db2.gz YLDOVLMPLNLHGM-HZPDHXFCSA-N 1 3 312.502 2.136 20 0 DEADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000171054566 402553045 /nfs/dbraw/zinc/55/30/45/402553045.db2.gz YLDOVLMPLNLHGM-HZPDHXFCSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)N1CCC[C@@H](C)C1 ZINC000247193338 402559306 /nfs/dbraw/zinc/55/93/06/402559306.db2.gz WRBNOMNFOWNAQJ-VQHPVUNQSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)C1 ZINC000246177273 402515504 /nfs/dbraw/zinc/51/55/04/402515504.db2.gz GSSDPWLNFVZNJD-BRWVUGGUSA-N 1 3 324.513 2.088 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)C1 ZINC000246177273 402515507 /nfs/dbraw/zinc/51/55/07/402515507.db2.gz GSSDPWLNFVZNJD-BRWVUGGUSA-N 1 3 324.513 2.088 20 0 DEADHO CN(C(=O)C1([NH3+])CCCC1)C1CCN(Cc2ccccc2)CC1 ZINC000178767407 402536981 /nfs/dbraw/zinc/53/69/81/402536981.db2.gz HAZIJTUDEOYTGG-UHFFFAOYSA-N 1 3 315.461 2.381 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000170903937 402539717 /nfs/dbraw/zinc/53/97/17/402539717.db2.gz XMOUWGDWWHDQQF-KRWDZBQOSA-N 1 3 303.450 2.109 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000170903937 402539719 /nfs/dbraw/zinc/53/97/19/402539719.db2.gz XMOUWGDWWHDQQF-KRWDZBQOSA-N 1 3 303.450 2.109 20 0 DEADHO CC(=O)NCCC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000179397229 402588821 /nfs/dbraw/zinc/58/88/21/402588821.db2.gz RSSXVJZEOWJEEG-UHFFFAOYSA-N 1 3 318.465 2.146 20 0 DEADHO CC(=O)NCCC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000179397229 402588825 /nfs/dbraw/zinc/58/88/25/402588825.db2.gz RSSXVJZEOWJEEG-UHFFFAOYSA-N 1 3 318.465 2.146 20 0 DEADHO NC(=O)[C@H](NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000179755287 402599673 /nfs/dbraw/zinc/59/96/73/402599673.db2.gz MIGOKSYOWTVYBL-GOSISDBHSA-N 1 3 324.428 2.114 20 0 DEADHO CC[C@@H](C)[C@@H](N)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000182698089 402709420 /nfs/dbraw/zinc/70/94/20/402709420.db2.gz FLLFSPOGOAMLQT-NVXWUHKLSA-N 1 3 309.498 2.474 20 0 DEADHO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000192105550 402711077 /nfs/dbraw/zinc/71/10/77/402711077.db2.gz BIZVOETUDDIZDB-UONOGXRCSA-N 1 3 321.490 2.200 20 0 DEADHO O=C(CC[C@H]1CC[NH2+]C1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000261803192 402717642 /nfs/dbraw/zinc/71/76/42/402717642.db2.gz FUZCEGDLPCUVTP-FUHWJXTLSA-N 1 3 315.461 2.329 20 0 DEADHO C[C@@H]1NCCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)[C@H]1C ZINC000262919718 402736272 /nfs/dbraw/zinc/73/62/72/402736272.db2.gz ZGEXJUXQRZSTRC-GJZGRUSLSA-N 1 3 301.434 2.105 20 0 DEADHO CN(C)CCOc1cccc(NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])c1 ZINC000263307531 402756989 /nfs/dbraw/zinc/75/69/89/402756989.db2.gz YDHQGBBNHGEQAJ-FUHWJXTLSA-N 1 3 319.449 2.473 20 0 DEADHO Cc1ccc([C@H](CNC(=O)CC[C@@H](C)[NH3+])N2CCCC2)cc1 ZINC000193305715 402770425 /nfs/dbraw/zinc/77/04/25/402770425.db2.gz ZQQLNRNMORCKMD-WBVHZDCISA-N 1 3 303.450 2.376 20 0 DEADHO C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)N(C)C1CC1 ZINC000264184333 402855392 /nfs/dbraw/zinc/85/53/92/402855392.db2.gz MHZACZBTRVXJKB-HNNXBMFYSA-N 1 3 315.461 2.495 20 0 DEADHO CCN(C)C(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000271334726 402859449 /nfs/dbraw/zinc/85/94/49/402859449.db2.gz MJQAWKVCBVWOBF-UHFFFAOYSA-N 1 3 318.465 2.098 20 0 DEADHO CCOc1ccc(C[NH2+]C2CCN(CCN(C)C)CC2)cc1F ZINC000278412756 402865097 /nfs/dbraw/zinc/86/50/97/402865097.db2.gz PKPHOXSLVXUMMO-UHFFFAOYSA-N 1 3 323.456 2.340 20 0 DEADHO CN(Cc1cccc(C[N@H+](C)[C@H]2CCOC2)c1)[C@H]1CCOC1 ZINC000264398810 402874719 /nfs/dbraw/zinc/87/47/19/402874719.db2.gz GODYPWMVFBHGJY-ROUUACIJSA-N 1 3 304.434 2.128 20 0 DEADHO CN(Cc1cccc(C[N@@H+](C)[C@H]2CCOC2)c1)[C@H]1CCOC1 ZINC000264398810 402874722 /nfs/dbraw/zinc/87/47/22/402874722.db2.gz GODYPWMVFBHGJY-ROUUACIJSA-N 1 3 304.434 2.128 20 0 DEADHO CCN1CCC(C[NH2+][C@@H](C)CS(=O)(=O)c2ccccc2)CC1 ZINC000566589018 292253593 /nfs/dbraw/zinc/25/35/93/292253593.db2.gz HEAYCIYAQLPDOS-HNNXBMFYSA-N 1 3 324.490 2.170 20 0 DEADHO Cc1ccc(CN(CCN(C)C)C(=O)CC2CC[NH+](C)CC2)o1 ZINC000273163765 402978716 /nfs/dbraw/zinc/97/87/16/402978716.db2.gz CPALNXXENMXJAV-UHFFFAOYSA-N 1 3 321.465 2.210 20 0 DEADHO C[NH+](C)C1CCN(CCN[C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281806089 403093580 /nfs/dbraw/zinc/09/35/80/403093580.db2.gz YREMRWYFWQJCOW-SFHVURJKSA-N 1 3 320.456 2.287 20 0 DEADHO C[C@@H](CC(N)=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000267275271 403031668 /nfs/dbraw/zinc/03/16/68/403031668.db2.gz TYLHRTRSTANTFR-GJZGRUSLSA-N 1 3 303.450 2.415 20 0 DEADHO C[C@@H](CC(N)=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000267275271 403031670 /nfs/dbraw/zinc/03/16/70/403031670.db2.gz TYLHRTRSTANTFR-GJZGRUSLSA-N 1 3 303.450 2.415 20 0 DEADHO CC(C)C[C@H](N)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000269279745 403127601 /nfs/dbraw/zinc/12/76/01/403127601.db2.gz DLFRWXGOUZYMQC-KRWDZBQOSA-N 1 3 318.465 2.140 20 0 DEADHO CC(C)C[C@H](N)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000269279745 403127603 /nfs/dbraw/zinc/12/76/03/403127603.db2.gz DLFRWXGOUZYMQC-KRWDZBQOSA-N 1 3 318.465 2.140 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000269245996 403124972 /nfs/dbraw/zinc/12/49/72/403124972.db2.gz DMIMMEUDAZPVCW-BPQIPLTHSA-N 1 3 315.461 2.013 20 0 DEADHO CN1CCN(CC[NH2+]CC2=Cc3ccccc3OC2)CC1(C)C ZINC000282216263 403133193 /nfs/dbraw/zinc/13/31/93/403133193.db2.gz DQXCTKCVFWWMSJ-UHFFFAOYSA-N 1 3 315.461 2.078 20 0 DEADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(Cl)nc1 ZINC000282307829 403142274 /nfs/dbraw/zinc/14/22/74/403142274.db2.gz MVTOWXWZRAGANQ-ZDUSSCGKSA-N 1 3 310.873 2.412 20 0 DEADHO CCOCC[C@H](O)CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000277657642 403241950 /nfs/dbraw/zinc/24/19/50/403241950.db2.gz IUJLVUXARQMVCC-MOPGFXCFSA-N 1 3 320.477 2.228 20 0 DEADHO CCOCC[C@H](O)CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000277657642 403241952 /nfs/dbraw/zinc/24/19/52/403241952.db2.gz IUJLVUXARQMVCC-MOPGFXCFSA-N 1 3 320.477 2.228 20 0 DEADHO CN(C)CCN(Cc1ccccc1F)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000292135160 403302228 /nfs/dbraw/zinc/30/22/28/403302228.db2.gz RWLUBCCPBLIXHU-INIZCTEOSA-N 1 3 321.440 2.248 20 0 DEADHO COc1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(OC)c1 ZINC000339071088 403343323 /nfs/dbraw/zinc/34/33/23/403343323.db2.gz PTNPECWXRIPOLR-HOTGVXAUSA-N 1 3 304.434 2.463 20 0 DEADHO COc1ccc(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)c(OC)c1 ZINC000339071088 403343325 /nfs/dbraw/zinc/34/33/25/403343325.db2.gz PTNPECWXRIPOLR-HOTGVXAUSA-N 1 3 304.434 2.463 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NCC[N@H+](C)C2CCCCC2)CCCN1C ZINC000345369786 403304360 /nfs/dbraw/zinc/30/43/60/403304360.db2.gz YXVCKEDDWUEKMP-GDBMZVCRSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NCC[N@@H+](C)C2CCCCC2)CCCN1C ZINC000345369786 403304364 /nfs/dbraw/zinc/30/43/64/403304364.db2.gz YXVCKEDDWUEKMP-GDBMZVCRSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000342699178 403312956 /nfs/dbraw/zinc/31/29/56/403312956.db2.gz VKLDPJISYWXDNO-RYQLBKOJSA-N 1 3 315.461 2.155 20 0 DEADHO COCCOCC[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285549954 403324878 /nfs/dbraw/zinc/32/48/78/403324878.db2.gz MFOJDBAPMDWBJD-IBGZPJMESA-N 1 3 318.461 2.247 20 0 DEADHO COCCOCC[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285549954 403324882 /nfs/dbraw/zinc/32/48/82/403324882.db2.gz MFOJDBAPMDWBJD-IBGZPJMESA-N 1 3 318.461 2.247 20 0 DEADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)C1 ZINC000285723924 403365541 /nfs/dbraw/zinc/36/55/41/403365541.db2.gz QGYGAYLYBOPWFA-OLZOCXBDSA-N 1 3 303.406 2.010 20 0 DEADHO C[C@H](C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)N1CCCCCC1 ZINC000345582061 403390805 /nfs/dbraw/zinc/39/08/05/403390805.db2.gz GNQHPJXPIMGUQI-JKSUJKDBSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000345679304 403433607 /nfs/dbraw/zinc/43/36/07/403433607.db2.gz WSNOTOVHPSOWOW-UXLLHSPISA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000345679304 403433610 /nfs/dbraw/zinc/43/36/10/403433610.db2.gz WSNOTOVHPSOWOW-UXLLHSPISA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H](CNC(=O)c1cccc(CN2CCCC2)c1)C[NH+](C)C ZINC000293700772 403541876 /nfs/dbraw/zinc/54/18/76/403541876.db2.gz IKTNBWOXAGVLAG-HNNXBMFYSA-N 1 3 303.450 2.210 20 0 DEADHO CN(CCCNC(=O)C[C@H]1CCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000340114025 403552665 /nfs/dbraw/zinc/55/26/65/403552665.db2.gz ZZTCJPUCTBMGQX-SJORKVTESA-N 1 3 303.450 2.142 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+][C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000343448453 403594202 /nfs/dbraw/zinc/59/42/02/403594202.db2.gz OKWQWILNLWRKKX-KDOFPFPSSA-N 1 3 320.456 2.287 20 0 DEADHO CC(C)NC(=O)CCN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340175081 403571271 /nfs/dbraw/zinc/57/12/71/403571271.db2.gz WXSCRTISBOWCOE-SJORKVTESA-N 1 3 303.450 2.326 20 0 DEADHO CC(C)NC(=O)CCN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340175081 403571274 /nfs/dbraw/zinc/57/12/74/403571274.db2.gz WXSCRTISBOWCOE-SJORKVTESA-N 1 3 303.450 2.326 20 0 DEADHO CN(C)CCOc1ccc(CC[NH2+][C@H]2CCOC2(C)C)cc1 ZINC000293817084 403571343 /nfs/dbraw/zinc/57/13/43/403571343.db2.gz RVVXCSJIKADAOX-KRWDZBQOSA-N 1 3 306.450 2.327 20 0 DEADHO CC(C)NC(=O)CCN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340175079 403571315 /nfs/dbraw/zinc/57/13/15/403571315.db2.gz WXSCRTISBOWCOE-IAGOWNOFSA-N 1 3 303.450 2.326 20 0 DEADHO CC(C)NC(=O)CCN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340175079 403571317 /nfs/dbraw/zinc/57/13/17/403571317.db2.gz WXSCRTISBOWCOE-IAGOWNOFSA-N 1 3 303.450 2.326 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCN(C2CCOCC2)CC1 ZINC000340287696 403576007 /nfs/dbraw/zinc/57/60/07/403576007.db2.gz KOIAKOVXKPMOGF-GOSISDBHSA-N 1 3 309.498 2.046 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1CN1CCN(C2CCOCC2)CC1 ZINC000340287696 403576014 /nfs/dbraw/zinc/57/60/14/403576014.db2.gz KOIAKOVXKPMOGF-GOSISDBHSA-N 1 3 309.498 2.046 20 0 DEADHO C[C@H]([NH2+]CC(C)(C)OCCO)c1ccc(OCCN(C)C)cc1 ZINC000287473807 403605668 /nfs/dbraw/zinc/60/56/68/403605668.db2.gz WOKBLTMLIGUQIS-HNNXBMFYSA-N 1 3 324.465 2.065 20 0 DEADHO CC[C@H](C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1)[NH+](CC)CC ZINC000346198800 403578576 /nfs/dbraw/zinc/57/85/76/403578576.db2.gz RTGDNSZMDDDRFT-YLFCFFPRSA-N 1 3 309.498 2.296 20 0 DEADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@H]3CC[C@@H](CO)O3)CC2)C1 ZINC000340416681 403609160 /nfs/dbraw/zinc/60/91/60/403609160.db2.gz ZXTZEIDJRCMFGG-SPUZQDLCSA-N 1 3 310.482 2.159 20 0 DEADHO C[C@H]1[C@@H](NC(=O)NCC2([NH+](C)C)CCCCCC2)CCCN1C ZINC000343612214 403661949 /nfs/dbraw/zinc/66/19/49/403661949.db2.gz FKABQDBERWNUAK-HOTGVXAUSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@H]1[C@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)CCCN1C ZINC000343610589 403662584 /nfs/dbraw/zinc/66/25/84/403662584.db2.gz CYLOCKOJZVFEFG-WMLDXEAASA-N 1 3 318.465 2.030 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000343614362 403663335 /nfs/dbraw/zinc/66/33/35/403663335.db2.gz PPHJPWJUCMZTNH-SJORKVTESA-N 1 3 301.434 2.105 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000343614362 403663340 /nfs/dbraw/zinc/66/33/40/403663340.db2.gz PPHJPWJUCMZTNH-SJORKVTESA-N 1 3 301.434 2.105 20 0 DEADHO C[C@@H](C(=O)NCC1CCC(C[NH3+])CC1)[C@H](N)c1ccccc1 ZINC000343647020 403677333 /nfs/dbraw/zinc/67/73/33/403677333.db2.gz SWOPJYKNTZUPES-VXTDNTOSSA-N 1 3 303.450 2.204 20 0 DEADHO O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(F)F ZINC000347389628 403690978 /nfs/dbraw/zinc/69/09/78/403690978.db2.gz ISZJYPQYEDTOMW-UYTSQGDYSA-N 1 3 310.388 2.398 20 0 DEADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C)C[NH+](C)C)c1 ZINC000287948641 403697466 /nfs/dbraw/zinc/69/74/66/403697466.db2.gz GPMXSKPIQNGLMB-INIZCTEOSA-N 1 3 320.481 2.018 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CCCN1C ZINC000343763212 403722511 /nfs/dbraw/zinc/72/25/11/403722511.db2.gz HZWNGSPKPZQXCT-OIISXLGYSA-N 1 3 324.513 2.279 20 0 DEADHO CC(=O)NC1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1 ZINC000333315460 403722933 /nfs/dbraw/zinc/72/29/33/403722933.db2.gz SRCREAMLHNEZBN-KWXGJIJISA-N 1 3 307.482 2.334 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000340988450 403724394 /nfs/dbraw/zinc/72/43/94/403724394.db2.gz LOLDYCCHVUPEOY-INIZCTEOSA-N 1 3 324.513 2.425 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000303427591 403755097 /nfs/dbraw/zinc/75/50/97/403755097.db2.gz AZRCVBPBJZLJDR-GVDBMIGSSA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000303427591 403755100 /nfs/dbraw/zinc/75/51/00/403755100.db2.gz AZRCVBPBJZLJDR-GVDBMIGSSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000343957771 403808763 /nfs/dbraw/zinc/80/87/63/403808763.db2.gz FUJVNLOSMHEBOA-BQJWPVKWSA-N 1 3 324.513 2.135 20 0 DEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000343957771 403808765 /nfs/dbraw/zinc/80/87/65/403808765.db2.gz FUJVNLOSMHEBOA-BQJWPVKWSA-N 1 3 324.513 2.135 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1)C(C)C ZINC000347714515 403822570 /nfs/dbraw/zinc/82/25/70/403822570.db2.gz XUBRNGXQAFMZKI-JKSUJKDBSA-N 1 3 312.502 2.277 20 0 DEADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)C2CCCC2)C1 ZINC000343981524 403823201 /nfs/dbraw/zinc/82/32/01/403823201.db2.gz QGDLZRDXDXJAHD-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO CCC[N@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)C2CCCC2)C1 ZINC000343981524 403823211 /nfs/dbraw/zinc/82/32/11/403823211.db2.gz QGDLZRDXDXJAHD-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO Cc1nc(C)c(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)s1 ZINC000343989164 403829493 /nfs/dbraw/zinc/82/94/93/403829493.db2.gz SWNLKWXHJHUZIV-BBRMVZONSA-N 1 3 322.522 2.218 20 0 DEADHO Cc1nc(C)c(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)s1 ZINC000343989164 403829496 /nfs/dbraw/zinc/82/94/96/403829496.db2.gz SWNLKWXHJHUZIV-BBRMVZONSA-N 1 3 322.522 2.218 20 0 DEADHO O=C(C[NH2+]C1CCN(c2ccncc2)CC1)NC1CCCCC1 ZINC000333837176 403878674 /nfs/dbraw/zinc/87/86/74/403878674.db2.gz MPCLCVBCXVBTTI-UHFFFAOYSA-N 1 3 316.449 2.089 20 0 DEADHO O[C@@H](C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1)C(F)(F)F ZINC000309673361 403962176 /nfs/dbraw/zinc/96/21/76/403962176.db2.gz USCVLNQLMPCHCK-KGLIPLIRSA-N 1 3 302.340 2.021 20 0 DEADHO C[C@@H]([NH3+])[C@@H]1CCN(CCCc2nc(-c3ccccc3)no2)C1 ZINC000351848629 403958199 /nfs/dbraw/zinc/95/81/99/403958199.db2.gz DOUKWEDEVXHZJN-UKRRQHHQSA-N 1 3 300.406 2.338 20 0 DEADHO CN(CCNC(=O)C[C@@H]1CCCC[C@H]1[NH3+])Cc1ccccc1 ZINC000295611898 404000020 /nfs/dbraw/zinc/00/00/20/404000020.db2.gz DUGIEFNPSBNHHP-DLBZAZTESA-N 1 3 303.450 2.142 20 0 DEADHO CO[C@](C)([C@H](C)[NH2+]CCCN1CCN(C(C)C)CC1)C1CC1 ZINC000411967536 404036064 /nfs/dbraw/zinc/03/60/64/404036064.db2.gz IDZIOEDMILLOJO-FUHWJXTLSA-N 1 3 311.514 2.196 20 0 DEADHO CC[NH+](CC)CCO[C@H]1CCN(CCc2scnc2C)C1 ZINC000352013474 404077734 /nfs/dbraw/zinc/07/77/34/404077734.db2.gz JBESKLIWKMANIP-HNNXBMFYSA-N 1 3 311.495 2.427 20 0 DEADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000290204153 404080012 /nfs/dbraw/zinc/08/00/12/404080012.db2.gz RQDVZUVQWVTUTC-IAGOWNOFSA-N 1 3 321.440 2.104 20 0 DEADHO CN(C)[C@H](CNC(=O)c1ccccc1CC[NH3+])c1ccccc1 ZINC000322066073 404082729 /nfs/dbraw/zinc/08/27/29/404082729.db2.gz ZFXTVKNILKQKMK-GOSISDBHSA-N 1 3 311.429 2.221 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C)C(C)C ZINC000341659077 404094680 /nfs/dbraw/zinc/09/46/80/404094680.db2.gz ZXEPTRRZKOAQQN-RDJZCZTQSA-N 1 3 324.513 2.277 20 0 DEADHO COCCOc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000290312021 404120585 /nfs/dbraw/zinc/12/05/85/404120585.db2.gz CFEXHPMPEINFDC-CRAIPNDOSA-N 1 3 306.450 2.484 20 0 DEADHO COCCOc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000290312021 404120588 /nfs/dbraw/zinc/12/05/88/404120588.db2.gz CFEXHPMPEINFDC-CRAIPNDOSA-N 1 3 306.450 2.484 20 0 DEADHO COC(=O)c1coc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000290343596 404135312 /nfs/dbraw/zinc/13/53/12/404135312.db2.gz FOUWPULFQLRFMM-CQSZACIVSA-N 1 3 306.406 2.230 20 0 DEADHO COCc1ccccc1/C=C(\C)C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000352211722 404217109 /nfs/dbraw/zinc/21/71/09/404217109.db2.gz LVEWCKOUIIKPBO-KZIRBZLESA-N 1 3 318.461 2.283 20 0 DEADHO C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C)N1[C@H](C)CC[C@@H]1C ZINC000412338491 404253190 /nfs/dbraw/zinc/25/31/90/404253190.db2.gz AQKJYECEXLEONH-BPKGMFCQSA-N 1 3 307.482 2.333 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N(C)C1CCCC1 ZINC000337809335 404254699 /nfs/dbraw/zinc/25/46/99/404254699.db2.gz LBMPTYNEEVDUOY-KRWDZBQOSA-N 1 3 324.513 2.329 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N(C)C1CCCC1 ZINC000337809335 404254704 /nfs/dbraw/zinc/25/47/04/404254704.db2.gz LBMPTYNEEVDUOY-KRWDZBQOSA-N 1 3 324.513 2.329 20 0 DEADHO C[C@H](O)C[N@H+](C)C1CCN(C[C@@H](C)CC2CCOCC2)CC1 ZINC000349971468 404279109 /nfs/dbraw/zinc/27/91/09/404279109.db2.gz JRKXXQZTGNTVJM-HOTGVXAUSA-N 1 3 312.498 2.216 20 0 DEADHO C[C@H](O)C[N@@H+](C)C1CCN(C[C@@H](C)CC2CCOCC2)CC1 ZINC000349971468 404279114 /nfs/dbraw/zinc/27/91/14/404279114.db2.gz JRKXXQZTGNTVJM-HOTGVXAUSA-N 1 3 312.498 2.216 20 0 DEADHO C[C@H](O)CN(C)C1CC[NH+](C[C@@H](C)CC2CCOCC2)CC1 ZINC000349971468 404279123 /nfs/dbraw/zinc/27/91/23/404279123.db2.gz JRKXXQZTGNTVJM-HOTGVXAUSA-N 1 3 312.498 2.216 20 0 DEADHO CCN1C[C@H]([NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000355209267 404285600 /nfs/dbraw/zinc/28/56/00/404285600.db2.gz AIDTUYREWLOMSI-WDSOQIARSA-N 1 3 301.478 2.438 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CCCN1C ZINC000338542449 404393870 /nfs/dbraw/zinc/39/38/70/404393870.db2.gz OWZAZKOLGGMLKL-QAPCUYQASA-N 1 3 315.461 2.495 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000344869836 404416991 /nfs/dbraw/zinc/41/69/91/404416991.db2.gz DERXANAIPURONS-BRWVUGGUSA-N 1 3 322.497 2.129 20 0 DEADHO CN1CCC(C[NH2+][C@H]2CCCC23CCC3)(N2CCOCC2)CC1 ZINC000414180504 404538678 /nfs/dbraw/zinc/53/86/78/404538678.db2.gz BJAZBBNJPICZSG-KRWDZBQOSA-N 1 3 321.509 2.095 20 0 DEADHO CN(C)[C@H]1CCC[N@H+](C[C@H](O)COCc2cccs2)CC1 ZINC000365406139 404649818 /nfs/dbraw/zinc/64/98/18/404649818.db2.gz VVGMOLMXPVXYAK-GJZGRUSLSA-N 1 3 312.479 2.042 20 0 DEADHO CN(C)[C@H]1CCC[N@@H+](C[C@H](O)COCc2cccs2)CC1 ZINC000365406139 404649823 /nfs/dbraw/zinc/64/98/23/404649823.db2.gz VVGMOLMXPVXYAK-GJZGRUSLSA-N 1 3 312.479 2.042 20 0 DEADHO CC[C@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@@H](O)C(F)(F)F ZINC000297806111 404629714 /nfs/dbraw/zinc/62/97/14/404629714.db2.gz XVCPVGKFKDCUPD-UONOGXRCSA-N 1 3 317.355 2.342 20 0 DEADHO C[C@@H](c1ccccc1F)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414679250 404706757 /nfs/dbraw/zinc/70/67/57/404706757.db2.gz RPBZJYCFORHDFV-KBPBESRZSA-N 1 3 307.413 2.016 20 0 DEADHO C[C@@H](c1ccccc1F)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414679250 404706759 /nfs/dbraw/zinc/70/67/59/404706759.db2.gz RPBZJYCFORHDFV-KBPBESRZSA-N 1 3 307.413 2.016 20 0 DEADHO COc1ccc([C@@H](C)C[N@@H+]2C[C@H](CN)C3(C2)CCOCC3)cc1 ZINC000414772286 404730050 /nfs/dbraw/zinc/73/00/50/404730050.db2.gz BQUKHNGWFLZZJJ-RDJZCZTQSA-N 1 3 318.461 2.486 20 0 DEADHO COc1ccc([C@@H](C)C[N@H+]2C[C@H](CN)C3(C2)CCOCC3)cc1 ZINC000414772286 404730053 /nfs/dbraw/zinc/73/00/53/404730053.db2.gz BQUKHNGWFLZZJJ-RDJZCZTQSA-N 1 3 318.461 2.486 20 0 DEADHO CN(c1ccccc1CNC1CC[NH2+]CC1)C1CCN(C)CC1 ZINC000414784371 404734964 /nfs/dbraw/zinc/73/49/64/404734964.db2.gz HPLZMLAAIMREAI-UHFFFAOYSA-N 1 3 316.493 2.059 20 0 DEADHO COC(=O)[C@H](C)Oc1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000414809841 404739959 /nfs/dbraw/zinc/73/99/59/404739959.db2.gz UQGJKTGPWNXPKV-YSVLISHTSA-N 1 3 320.433 2.234 20 0 DEADHO CCc1nn(C)c(CC)c1CNCC1(SC)CC[NH+](C)CC1 ZINC000353210409 404771451 /nfs/dbraw/zinc/77/14/51/404771451.db2.gz LLTRXQIOIFRIOH-UHFFFAOYSA-N 1 3 324.538 2.462 20 0 DEADHO CCc1nn(C)c(CC)c1C[NH2+]CC1(SC)CCN(C)CC1 ZINC000353210409 404771454 /nfs/dbraw/zinc/77/14/54/404771454.db2.gz LLTRXQIOIFRIOH-UHFFFAOYSA-N 1 3 324.538 2.462 20 0 DEADHO [NH3+]C1(CNC2CCN(Cc3cccnc3)CC2)CCCCC1 ZINC000414849484 404748641 /nfs/dbraw/zinc/74/86/41/404748641.db2.gz XOSZMPKJYXHASX-UHFFFAOYSA-N 1 3 302.466 2.297 20 0 DEADHO NC1(C[NH2+]C2CCN(Cc3cccnc3)CC2)CCCCC1 ZINC000414849484 404748646 /nfs/dbraw/zinc/74/86/46/404748646.db2.gz XOSZMPKJYXHASX-UHFFFAOYSA-N 1 3 302.466 2.297 20 0 DEADHO Cc1ccc(-c2ncc(CNCCN3CC[NH2+]CC3)s2)cc1 ZINC000414871250 404753169 /nfs/dbraw/zinc/75/31/69/404753169.db2.gz UHJQWUBNXMVAAB-UHFFFAOYSA-N 1 3 316.474 2.113 20 0 DEADHO COC[C@]1(C[NH2+]C2CCN(c3ccccc3)CC2)CCCN1 ZINC000414943021 404771980 /nfs/dbraw/zinc/77/19/80/404771980.db2.gz KXAXYSGXURIYCY-GOSISDBHSA-N 1 3 303.450 2.014 20 0 DEADHO CC(C)C[C@@H](C[NH3+])NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000414889517 404759774 /nfs/dbraw/zinc/75/97/74/404759774.db2.gz SVFIKPQSIVVELL-HNNXBMFYSA-N 1 3 322.453 2.122 20 0 DEADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC[C@@H]2CCCOC2)cc1 ZINC000414891656 404760623 /nfs/dbraw/zinc/76/06/23/404760623.db2.gz VZCCZFRUHUWTOK-JCGIZDLHSA-N 1 3 304.434 2.157 20 0 DEADHO [NH3+][C@@H](CNC1CCN(C(=O)c2ccccc2Cl)CC1)C1CC1 ZINC000414894905 404761159 /nfs/dbraw/zinc/76/11/59/404761159.db2.gz VABTYPGGIPBJRC-INIZCTEOSA-N 1 3 321.852 2.272 20 0 DEADHO CC(C)CCC1CC[NH+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414717531 404716753 /nfs/dbraw/zinc/71/67/53/404716753.db2.gz ZQZACKCUCYBNRV-KRWDZBQOSA-N 1 3 309.498 2.332 20 0 DEADHO COC[C@]1(CN[C@H]2CCN([C@@H](C)c3ccccc3)C2)CCC[NH2+]1 ZINC000414936337 404770281 /nfs/dbraw/zinc/77/02/81/404770281.db2.gz BZNODVYAIOHAIO-YTQUADARSA-N 1 3 317.477 2.180 20 0 DEADHO C[C@H]1C[C@H](CN2CCN(C(=O)C(C)(C)C)CC2(C)C)CC[NH2+]1 ZINC000414731952 404719320 /nfs/dbraw/zinc/71/93/20/404719320.db2.gz CFZHHKBCGUOTKK-LSDHHAIUSA-N 1 3 309.498 2.343 20 0 DEADHO CC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H](C)Cc1ccsc1 ZINC000414752344 404724304 /nfs/dbraw/zinc/72/43/04/404724304.db2.gz BRXIVWBKPGLCES-HOCLYGCPSA-N 1 3 323.506 2.198 20 0 DEADHO CC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H](C)Cc1ccsc1 ZINC000414752344 404724307 /nfs/dbraw/zinc/72/43/07/404724307.db2.gz BRXIVWBKPGLCES-HOCLYGCPSA-N 1 3 323.506 2.198 20 0 DEADHO C[C@@H](c1nccs1)N1CCN(C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414753856 404725079 /nfs/dbraw/zinc/72/50/79/404725079.db2.gz NBZLBQKXAVYVEK-QLFBSQMISA-N 1 3 308.495 2.210 20 0 DEADHO CCOc1cc(C[NH2+][C@H](C)CN)ccc1OCC(F)(F)F ZINC000414938479 404770588 /nfs/dbraw/zinc/77/05/88/404770588.db2.gz XMNXUHQMQWHOBR-SNVBAGLBSA-N 1 3 306.328 2.463 20 0 DEADHO CS[C@H]1CN(CCN2CCC(C)CC2)C[C@H]1[NH+]1CCCC1 ZINC000358821940 404776728 /nfs/dbraw/zinc/77/67/28/404776728.db2.gz KHSJMWNISLFPHU-SJORKVTESA-N 1 3 311.539 2.230 20 0 DEADHO Cc1cc(C)cc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000414963410 404777147 /nfs/dbraw/zinc/77/71/47/404777147.db2.gz BAKJOOPSBQLRFT-HNNXBMFYSA-N 1 3 315.383 2.229 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)N[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414959712 404777206 /nfs/dbraw/zinc/77/72/06/404777206.db2.gz XNKZUFGRFXHWHY-VNHYZAJKSA-N 1 3 305.422 2.142 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCN[C@H](C)C2)c1 ZINC000414959712 404777210 /nfs/dbraw/zinc/77/72/10/404777210.db2.gz XNKZUFGRFXHWHY-VNHYZAJKSA-N 1 3 305.422 2.142 20 0 DEADHO FC(F)(F)[C@H](CNC/C=C/c1ccccc1)N1CC[NH2+]CC1 ZINC000414967357 404778722 /nfs/dbraw/zinc/77/87/22/404778722.db2.gz DWYXCIZWPLCQKM-SZTZYQKNSA-N 1 3 313.367 2.126 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC2(CC[NH2+]CC2)CC1)N1CCCCC1 ZINC000358885266 404779234 /nfs/dbraw/zinc/77/92/34/404779234.db2.gz IEBANUKGLKHYDB-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO Fc1ccc(-n2cc(CN[C@@H]3C[C@H]3C3CC[NH2+]CC3)cn2)cc1 ZINC000415005698 404786072 /nfs/dbraw/zinc/78/60/72/404786072.db2.gz JLPKCODMVXFVFX-ZWKOTPCHSA-N 1 3 314.408 2.489 20 0 DEADHO Brc1cncc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415014772 404788339 /nfs/dbraw/zinc/78/83/39/404788339.db2.gz XLNKWXAAVXSDCV-UONOGXRCSA-N 1 3 310.239 2.322 20 0 DEADHO C[C@@H](CCC[NH3+])NCc1cc2c(cc1Br)OCO2 ZINC000415019341 404789443 /nfs/dbraw/zinc/78/94/43/404789443.db2.gz ICFPEFBSBQUTOC-VIFPVBQESA-N 1 3 315.211 2.395 20 0 DEADHO C[C@@H]1CCC[C@](CNC(=O)N[C@@H]2CCN(C3CC3)C2)([NH+](C)C)C1 ZINC000359353100 404790427 /nfs/dbraw/zinc/79/04/27/404790427.db2.gz QAPDPYFRKINVDG-RKVPGOIHSA-N 1 3 322.497 2.033 20 0 DEADHO [NH3+]C[C@H]1CC[C@H](NCc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000415046845 404795528 /nfs/dbraw/zinc/79/55/28/404795528.db2.gz VKBGZWGXHOFTRU-ONGXEEELSA-N 1 3 314.332 2.234 20 0 DEADHO O=C1[C@@H](NCC2CC[NH2+]CC2)CCN1c1ccccc1Cl ZINC000415077034 404802035 /nfs/dbraw/zinc/80/20/35/404802035.db2.gz DRAXVAOTDMCDJA-AWEZNQCLSA-N 1 3 307.825 2.035 20 0 DEADHO CCOc1ccc(C2(CNCC(C)(C)[NH3+])CCOCC2)cc1 ZINC000415094141 404805462 /nfs/dbraw/zinc/80/54/62/404805462.db2.gz WUSYFFFXVCNMTM-UHFFFAOYSA-N 1 3 306.450 2.460 20 0 DEADHO CCN1CCN(c2cccc(NC[C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000415101194 404808027 /nfs/dbraw/zinc/80/80/27/404808027.db2.gz HFKYDWPBUZGTEE-MRXNPFEDSA-N 1 3 302.466 2.240 20 0 DEADHO [NH3+]Cc1cn([C@H]2CCCN(C/C=C/c3ccc(F)cc3)C2)nn1 ZINC000415124227 404813354 /nfs/dbraw/zinc/81/33/54/404813354.db2.gz KAEGICMRWBFHMF-DUXHTMCSSA-N 1 3 315.396 2.226 20 0 DEADHO NCc1cn([C@H]2CCC[N@H+](C/C=C/c3ccc(F)cc3)C2)nn1 ZINC000415124227 404813358 /nfs/dbraw/zinc/81/33/58/404813358.db2.gz KAEGICMRWBFHMF-DUXHTMCSSA-N 1 3 315.396 2.226 20 0 DEADHO NCc1cn([C@H]2CCC[N@@H+](C/C=C/c3ccc(F)cc3)C2)nn1 ZINC000415124227 404813360 /nfs/dbraw/zinc/81/33/60/404813360.db2.gz KAEGICMRWBFHMF-DUXHTMCSSA-N 1 3 315.396 2.226 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415585383 404889450 /nfs/dbraw/zinc/88/94/50/404889450.db2.gz XJBONCRBJUCOHI-ZBFHGGJFSA-N 1 3 318.465 2.430 20 0 DEADHO Cc1ccccc1CN1CCCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000378200464 404891153 /nfs/dbraw/zinc/89/11/53/404891153.db2.gz DJJPHPZLCOAAHM-MSOLQXFVSA-N 1 3 315.461 2.157 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000378207064 404894140 /nfs/dbraw/zinc/89/41/40/404894140.db2.gz QQSPLUUSMNUHDD-KBAYOESNSA-N 1 3 315.461 2.155 20 0 DEADHO CC(=O)Nc1ccc(CN2CCC(OCC[NH+](C)C)CC2)cc1 ZINC000353540789 404860847 /nfs/dbraw/zinc/86/08/47/404860847.db2.gz FZRBBSBWYGINQI-UHFFFAOYSA-N 1 3 319.449 2.188 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)NCCC[C@@H]2CCC[NH2+]2)cc1 ZINC000416895567 404955231 /nfs/dbraw/zinc/95/52/31/404955231.db2.gz UKWTUYLLBQOUKY-KRWDZBQOSA-N 1 3 318.465 2.080 20 0 DEADHO CNCc1ccccc1NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000415895533 404965065 /nfs/dbraw/zinc/96/50/65/404965065.db2.gz BMKGKGBVMVNUGA-UHFFFAOYSA-N 1 3 304.438 2.402 20 0 DEADHO CNCc1ccccc1NC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000415895533 404965070 /nfs/dbraw/zinc/96/50/70/404965070.db2.gz BMKGKGBVMVNUGA-UHFFFAOYSA-N 1 3 304.438 2.402 20 0 DEADHO C[C@@H]1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000424008011 404969247 /nfs/dbraw/zinc/96/92/47/404969247.db2.gz GXLQJJOWPQPYAU-BPQIPLTHSA-N 1 3 315.461 2.094 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCOCC3(CCCC3)C2)CC1 ZINC000367049819 404910448 /nfs/dbraw/zinc/91/04/48/404910448.db2.gz JLRCBPFYVRNZBJ-UHFFFAOYSA-N 1 3 323.525 2.295 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCOCC3(CCCC3)C2)CC1 ZINC000367049819 404910454 /nfs/dbraw/zinc/91/04/54/404910454.db2.gz JLRCBPFYVRNZBJ-UHFFFAOYSA-N 1 3 323.525 2.295 20 0 DEADHO CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCCN(C)[C@@H]2C)c1 ZINC000415911960 404969745 /nfs/dbraw/zinc/96/97/45/404969745.db2.gz FLJONFIQFFSMAZ-CZUORRHYSA-N 1 3 304.438 2.400 20 0 DEADHO CN(C)[C@@H](CNC(=O)N1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000416803924 404917245 /nfs/dbraw/zinc/91/72/45/404917245.db2.gz JJGNONDXVCVAPP-RDJZCZTQSA-N 1 3 318.465 2.060 20 0 DEADHO C[C@H]1C[C@H](CCNC(=O)C(C)(C)N)C[N@@H+]1Cc1ccccc1 ZINC000423908086 404924679 /nfs/dbraw/zinc/92/46/79/404924679.db2.gz SAXURUZMUOYFQN-HOCLYGCPSA-N 1 3 303.450 2.141 20 0 DEADHO C[C@H]1C[C@H](CCNC(=O)C(C)(C)N)C[N@H+]1Cc1ccccc1 ZINC000423908086 404924685 /nfs/dbraw/zinc/92/46/85/404924685.db2.gz SAXURUZMUOYFQN-HOCLYGCPSA-N 1 3 303.450 2.141 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000416829765 404926697 /nfs/dbraw/zinc/92/66/97/404926697.db2.gz NNEAZIIZNPCEAO-LSDHHAIUSA-N 1 3 310.486 2.020 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)NC[C@@H]([NH3+])C(C)C)N(C)C)cc1 ZINC000416839881 404930324 /nfs/dbraw/zinc/93/03/24/404930324.db2.gz KMGRXXVTCFVNGX-IAGOWNOFSA-N 1 3 320.481 2.134 20 0 DEADHO C[C@H]1CN(C(=O)NCC2([NH+](C)C)CCCCCC2)[C@@H](C)CN1 ZINC000416848063 404934144 /nfs/dbraw/zinc/93/41/44/404934144.db2.gz KYPDXFGLYLOAPY-GJZGRUSLSA-N 1 3 310.486 2.033 20 0 DEADHO CN(C(=O)C1CCN(Cc2ccccc2)CC1)[C@H](C[NH3+])C1CC1 ZINC000423944239 404939534 /nfs/dbraw/zinc/93/95/34/404939534.db2.gz HGVJPQFRVJTURL-GOSISDBHSA-N 1 3 315.461 2.094 20 0 DEADHO CO[C@@H]1CCN(C[C@@H](C)C[N@@H+]2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000451557843 405012103 /nfs/dbraw/zinc/01/21/03/405012103.db2.gz FLINDWXAOJXIKU-PFJGLKMASA-N 1 3 312.498 2.336 20 0 DEADHO CO[C@@H]1CCN(C[C@@H](C)C[N@H+]2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000451557843 405012109 /nfs/dbraw/zinc/01/21/09/405012109.db2.gz FLINDWXAOJXIKU-PFJGLKMASA-N 1 3 312.498 2.336 20 0 DEADHO CO[C@@H]1CC[N@@H+](C[C@@H](C)CN2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000451557843 405012112 /nfs/dbraw/zinc/01/21/12/405012112.db2.gz FLINDWXAOJXIKU-PFJGLKMASA-N 1 3 312.498 2.336 20 0 DEADHO CO[C@@H]1CC[N@H+](C[C@@H](C)CN2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000451557843 405012118 /nfs/dbraw/zinc/01/21/18/405012118.db2.gz FLINDWXAOJXIKU-PFJGLKMASA-N 1 3 312.498 2.336 20 0 DEADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1cccc(CN(C)C)c1 ZINC000417068734 405026030 /nfs/dbraw/zinc/02/60/30/405026030.db2.gz OAPIUSKFBZQWIC-PBHICJAKSA-N 1 3 318.465 2.160 20 0 DEADHO COC1CCN(C(C)(C)C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)CC1 ZINC000361209252 404974113 /nfs/dbraw/zinc/97/41/13/404974113.db2.gz RQIRJTGMBWISBU-YQQAZPJKSA-N 1 3 311.514 2.194 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000353983711 404983515 /nfs/dbraw/zinc/98/35/15/404983515.db2.gz NUQNREPJVHPBOZ-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000353983711 404983517 /nfs/dbraw/zinc/98/35/17/404983517.db2.gz NUQNREPJVHPBOZ-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415957526 404984616 /nfs/dbraw/zinc/98/46/16/404984616.db2.gz MMJXJGKQLPJEPM-ZDUSSCGKSA-N 1 3 304.438 2.339 20 0 DEADHO CC(C)O[C@H]1C[C@H](NC[C@@H](O)C[NH+]2CCC(C)CC2)C1(C)C ZINC000361236090 404986735 /nfs/dbraw/zinc/98/67/35/404986735.db2.gz CJKYIFBTWSMCDD-IKGGRYGDSA-N 1 3 312.498 2.261 20 0 DEADHO C[NH2+]Cc1ccc(NC(=O)N[C@@H](C)C2=CCN(C)CC2)cc1 ZINC000415980833 404993313 /nfs/dbraw/zinc/99/33/13/404993313.db2.gz HTIXEGCRXVYIBV-ZDUSSCGKSA-N 1 3 302.422 2.178 20 0 DEADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc2c(c1)CNC2 ZINC000415988256 404996711 /nfs/dbraw/zinc/99/67/11/404996711.db2.gz CEOSXLIGSMYSRQ-SUMWQHHRSA-N 1 3 314.433 2.380 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])c1ccsc1 ZINC000417006582 404997666 /nfs/dbraw/zinc/99/76/66/404997666.db2.gz JSYXWVNMFBPXKZ-SGMGOOAPSA-N 1 3 312.483 2.166 20 0 DEADHO CC(C)[NH2+]CCC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000389895077 405041913 /nfs/dbraw/zinc/04/19/13/405041913.db2.gz YGKVQCDZMOAZOK-RDJZCZTQSA-N 1 3 303.450 2.011 20 0 DEADHO C[C@@H]1CC2(CN1C(=O)C[C@@H](N)c1ccccc1)CC[NH2+]CC2 ZINC000424236077 405046127 /nfs/dbraw/zinc/04/61/27/405046127.db2.gz LCTJLNPUGWWVKE-GDBMZVCRSA-N 1 3 301.434 2.067 20 0 DEADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@H]1CCCCC[NH2+]1 ZINC000390755586 405047790 /nfs/dbraw/zinc/04/77/90/405047790.db2.gz VRJMUZIMBMIUJP-ZWKOTPCHSA-N 1 3 315.461 2.299 20 0 DEADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361496745 405100576 /nfs/dbraw/zinc/10/05/76/405100576.db2.gz MVIKYEXWWLADJU-NUJGCVRESA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361496745 405100581 /nfs/dbraw/zinc/10/05/81/405100581.db2.gz MVIKYEXWWLADJU-NUJGCVRESA-N 1 3 321.509 2.440 20 0 DEADHO C[C@H](NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)c1cccs1 ZINC000424283778 405057965 /nfs/dbraw/zinc/05/79/65/405057965.db2.gz CBDXHPKQGKDHKW-KGLIPLIRSA-N 1 3 321.490 2.389 20 0 DEADHO Cc1cccc(CNC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424290621 405059230 /nfs/dbraw/zinc/05/92/30/405059230.db2.gz NAPFYBMFHJIOCU-INIZCTEOSA-N 1 3 315.461 2.075 20 0 DEADHO Cc1ccc(NC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424298266 405063306 /nfs/dbraw/zinc/06/33/06/405063306.db2.gz UGGMTVRFXZGBGM-OAHLLOKOSA-N 1 3 301.434 2.398 20 0 DEADHO C[C@H]1C[C@H](NCCNC(=O)CCCc2ccccc2)CC[N@@H+]1C ZINC000424323979 405068587 /nfs/dbraw/zinc/06/85/87/405068587.db2.gz LCGUFYUAPRINCR-FUHWJXTLSA-N 1 3 317.477 2.198 20 0 DEADHO C[C@H]1C[C@H](NCCNC(=O)CCCc2ccccc2)CC[N@H+]1C ZINC000424323979 405068593 /nfs/dbraw/zinc/06/85/93/405068593.db2.gz LCGUFYUAPRINCR-FUHWJXTLSA-N 1 3 317.477 2.198 20 0 DEADHO CN(CCNC(=O)NCC1([NH3+])CCCCC1)Cc1ccccc1 ZINC000417231106 405070635 /nfs/dbraw/zinc/07/06/35/405070635.db2.gz MGQPWHZGTUQNFA-UHFFFAOYSA-N 1 3 318.465 2.079 20 0 DEADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCNC(=O)CCCc1ccccc1 ZINC000424386429 405079504 /nfs/dbraw/zinc/07/95/04/405079504.db2.gz XQVGZTDFAGNEKA-WMZOPIPTSA-N 1 3 317.477 2.103 20 0 DEADHO C[NH2+]CCC1CCN(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000417321114 405086596 /nfs/dbraw/zinc/08/65/96/405086596.db2.gz BHJJJSGHEMCIMA-JKSUJKDBSA-N 1 3 324.513 2.138 20 0 DEADHO CCCC[C@H](C[NH3+])NC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000418437472 405127884 /nfs/dbraw/zinc/12/78/84/405127884.db2.gz CXWXXCFUHOIBTR-LSDHHAIUSA-N 1 3 310.486 2.020 20 0 DEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000361510573 405108432 /nfs/dbraw/zinc/10/84/32/405108432.db2.gz JEMKKNXGXYVGFI-ZMSDIMECSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000361510570 405108519 /nfs/dbraw/zinc/10/85/19/405108519.db2.gz JEMKKNXGXYVGFI-BFYDXBDKSA-N 1 3 322.497 2.033 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)NC1(C)CC[NH2+]CC1)c1ccco1 ZINC000418166761 405114173 /nfs/dbraw/zinc/11/41/73/405114173.db2.gz LSJKNDSNHNHPCH-KBPBESRZSA-N 1 3 322.453 2.150 20 0 DEADHO CN(C)CCN(C(=O)N[C@H](C[NH3+])C1CCCC1)C1CCCC1 ZINC000418608722 405137943 /nfs/dbraw/zinc/13/79/43/405137943.db2.gz BPJJGBFXKBJVOT-MRXNPFEDSA-N 1 3 310.486 2.020 20 0 DEADHO C[C@@H]1CN(CC2CC[NH+](CC[C@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000437701447 405215653 /nfs/dbraw/zinc/21/56/53/405215653.db2.gz OLVYZRAESSCIKD-JZXOWHBKSA-N 1 3 310.482 2.234 20 0 DEADHO CC(C)[C@H](C(=O)N(C)CC1([NH+](C)C)CCC1)N1CCCCC1 ZINC000438613532 405252534 /nfs/dbraw/zinc/25/25/34/405252534.db2.gz SMKXBDGIXQXYRO-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000420299824 405310846 /nfs/dbraw/zinc/31/08/46/405310846.db2.gz JLVOZXBLOUQMTA-XSLAGTTESA-N 1 3 320.502 2.277 20 0 DEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000420299824 405310848 /nfs/dbraw/zinc/31/08/48/405310848.db2.gz JLVOZXBLOUQMTA-XSLAGTTESA-N 1 3 320.502 2.277 20 0 DEADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCS[C@H]2CCCC[C@@H]21 ZINC000420299824 405310849 /nfs/dbraw/zinc/31/08/49/405310849.db2.gz JLVOZXBLOUQMTA-XSLAGTTESA-N 1 3 320.502 2.277 20 0 DEADHO CCSCC[C@H](C)[N@H+](C)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420299819 405310900 /nfs/dbraw/zinc/31/09/00/405310900.db2.gz JKBOWXAREFFXCL-XIRDDKMYSA-N 1 3 310.507 2.381 20 0 DEADHO CCSCC[C@H](C)[N@@H+](C)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420299819 405310902 /nfs/dbraw/zinc/31/09/02/405310902.db2.gz JKBOWXAREFFXCL-XIRDDKMYSA-N 1 3 310.507 2.381 20 0 DEADHO CCSCC[C@H](C)N(C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420299819 405310903 /nfs/dbraw/zinc/31/09/03/405310903.db2.gz JKBOWXAREFFXCL-XIRDDKMYSA-N 1 3 310.507 2.381 20 0 DEADHO Clc1ccccc1C[C@H]1CCCN1CCN1CC[NH2+]CC1 ZINC000420302937 405311654 /nfs/dbraw/zinc/31/16/54/405311654.db2.gz KBEQYOKTQQYSMC-MRXNPFEDSA-N 1 3 307.869 2.252 20 0 DEADHO c1ccc2sc(N3CCN(CC[C@@H]4CC[NH2+]C4)CC3)nc2c1 ZINC000420305252 405312463 /nfs/dbraw/zinc/31/24/63/405312463.db2.gz PFZCHXFWUVSCSW-AWEZNQCLSA-N 1 3 316.474 2.418 20 0 DEADHO CCOC[C@H]1CCCN(C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420312353 405315772 /nfs/dbraw/zinc/31/57/72/405315772.db2.gz WUDWBGBRVRYCNW-DOTOQJQBSA-N 1 3 306.450 2.486 20 0 DEADHO CC(C)N(C(=O)[C@@H](C)N1CCC([C@H]2CCC[NH2+]2)CC1)C(C)C ZINC000420331403 405321928 /nfs/dbraw/zinc/32/19/28/405321928.db2.gz BXJYWLHMHXAQDK-NVXWUHKLSA-N 1 3 309.498 2.484 20 0 DEADHO C[C@H](C(=O)N(C)c1ccccc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420332495 405322791 /nfs/dbraw/zinc/32/27/91/405322791.db2.gz DAYHMSVSGFFEIJ-IXDOHACOSA-N 1 3 315.461 2.359 20 0 DEADHO C[C@H](C(=O)NCc1cccs1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420342565 405326074 /nfs/dbraw/zinc/32/60/74/405326074.db2.gz POXCOEHYSDYTGZ-RBSFLKMASA-N 1 3 321.490 2.074 20 0 DEADHO Cc1cccc(NC(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420343394 405326319 /nfs/dbraw/zinc/32/63/19/405326319.db2.gz QXSQGZTWDFLWKH-JKSUJKDBSA-N 1 3 301.434 2.255 20 0 DEADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420346266 405327572 /nfs/dbraw/zinc/32/75/72/405327572.db2.gz XYETVKZRRPATDR-XWTMOSNGSA-N 1 3 321.509 2.488 20 0 DEADHO Clc1cccc(OCCCN2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000420349079 405328266 /nfs/dbraw/zinc/32/82/66/405328266.db2.gz NREXJUJFAJFSBE-MRXNPFEDSA-N 1 3 323.868 2.088 20 0 DEADHO Cc1ccc(SCCN2CC[C@H](N3CC[NH2+]CC3)C2)cc1C ZINC000420351190 405328982 /nfs/dbraw/zinc/32/89/82/405328982.db2.gz WEWSYSOJODYTMQ-KRWDZBQOSA-N 1 3 319.518 2.375 20 0 DEADHO C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)N(C)C ZINC000454493430 405353632 /nfs/dbraw/zinc/35/36/32/405353632.db2.gz WLEJGOFXNQHPQS-RDJZCZTQSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)N(C)C ZINC000454493430 405353634 /nfs/dbraw/zinc/35/36/34/405353634.db2.gz WLEJGOFXNQHPQS-RDJZCZTQSA-N 1 3 324.513 2.280 20 0 DEADHO CC[N@H+](CCNC(=O)N(CCN(C)C)Cc1ccco1)C(C)C ZINC000447388415 405412218 /nfs/dbraw/zinc/41/22/18/405412218.db2.gz WWPOKPFOXPYCQZ-UHFFFAOYSA-N 1 3 324.469 2.083 20 0 DEADHO CC[N@@H+](CCNC(=O)N(CCN(C)C)Cc1ccco1)C(C)C ZINC000447388415 405412220 /nfs/dbraw/zinc/41/22/20/405412220.db2.gz WWPOKPFOXPYCQZ-UHFFFAOYSA-N 1 3 324.469 2.083 20 0 DEADHO CC[NH+]1CCC(N2CCCN(Cc3ccccn3)CC2)CC1 ZINC000420982873 405420245 /nfs/dbraw/zinc/42/02/45/405420245.db2.gz PQTAEIWCRHGDLU-UHFFFAOYSA-N 1 3 302.466 2.074 20 0 DEADHO CCN1CCC([N@@H+]2CCCN(CCOC(C)(C)C)CC2)CC1 ZINC000420983640 405420282 /nfs/dbraw/zinc/42/02/82/405420282.db2.gz QZIDLQPWSUYTIY-UHFFFAOYSA-N 1 3 311.514 2.294 20 0 DEADHO CCN1CCC([N@H+]2CCCN(CCOC(C)(C)C)CC2)CC1 ZINC000420983640 405420287 /nfs/dbraw/zinc/42/02/87/405420287.db2.gz QZIDLQPWSUYTIY-UHFFFAOYSA-N 1 3 311.514 2.294 20 0 DEADHO CC(C)CNC(=O)c1cccc(CN2CCC(C[NH3+])CC2)c1 ZINC000430653105 405480457 /nfs/dbraw/zinc/48/04/57/405480457.db2.gz NZDINENKJYLQCT-UHFFFAOYSA-N 1 3 303.450 2.243 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)CS1 ZINC000638462390 405484981 /nfs/dbraw/zinc/48/49/81/405484981.db2.gz MGOAPNFVLXFFMV-HZPDHXFCSA-N 1 3 320.506 2.077 20 0 DEADHO CCOC(=O)c1cc(CN(C)CC2CC[NH+](C)CC2)[nH]c1C ZINC000449023573 405501319 /nfs/dbraw/zinc/50/13/19/405501319.db2.gz SBXOVYHBDXEYAO-UHFFFAOYSA-N 1 3 307.438 2.273 20 0 DEADHO C[C@H](CCNC(=O)[C@H]1CCN1C1CCCC1)[NH+]1CCCCC1 ZINC000635796111 405513125 /nfs/dbraw/zinc/51/31/25/405513125.db2.gz YFLFFVRSBFHVMX-NVXWUHKLSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H](CN)c1ccccc1 ZINC000430894112 405523135 /nfs/dbraw/zinc/52/31/35/405523135.db2.gz LOKLMXRPVUQCQC-HLLBOEOZSA-N 1 3 303.450 2.108 20 0 DEADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@H](CN)c1ccccc1 ZINC000430894112 405523140 /nfs/dbraw/zinc/52/31/40/405523140.db2.gz LOKLMXRPVUQCQC-HLLBOEOZSA-N 1 3 303.450 2.108 20 0 DEADHO [NH3+]Cc1cccc2c1N(C(=O)c1cccc3c1CNC3)CCC2 ZINC000638543378 405538642 /nfs/dbraw/zinc/53/86/42/405538642.db2.gz YDXOCCGQYMZFOB-UHFFFAOYSA-N 1 3 307.397 2.342 20 0 DEADHO CCOC(=O)N(C)C1CC[NH+](CC[C@H]2CCCCN2C)CC1 ZINC000493975287 405619396 /nfs/dbraw/zinc/61/93/96/405619396.db2.gz RDIOIOSJSFFCCP-OAHLLOKOSA-N 1 3 311.470 2.414 20 0 DEADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc2c(c1)CNC2 ZINC000557052637 405574220 /nfs/dbraw/zinc/57/42/20/405574220.db2.gz YTLLSSXSRZGNPT-ZDUSSCGKSA-N 1 3 302.422 2.286 20 0 DEADHO CCN1C[C@H]([NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1=O ZINC000449516461 405592719 /nfs/dbraw/zinc/59/27/19/405592719.db2.gz GDCBVOQEWIZYPE-RYQLBKOJSA-N 1 3 315.461 2.107 20 0 DEADHO CN1C[C@@H]2CCCN(C(=O)CC[N@H+](C)C3CCCCC3)[C@@H]2C1 ZINC000580184352 405602270 /nfs/dbraw/zinc/60/22/70/405602270.db2.gz VTFNJRCLZBUPIK-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO CN1C[C@@H]2CCCN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@@H]2C1 ZINC000580184352 405602272 /nfs/dbraw/zinc/60/22/72/405602272.db2.gz VTFNJRCLZBUPIK-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431524808 405638534 /nfs/dbraw/zinc/63/85/34/405638534.db2.gz RCILLHHXWFELBG-DLBZAZTESA-N 1 3 303.450 2.280 20 0 DEADHO CO[C@@H](CNC1CC[NH+](C2CCCC2)CC1)C1CCOCC1 ZINC000638735048 405640213 /nfs/dbraw/zinc/64/02/13/405640213.db2.gz NGPVQZGQDYUDPB-SFHVURJKSA-N 1 3 310.482 2.425 20 0 DEADHO CO[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)C1CCOCC1 ZINC000638735048 405640225 /nfs/dbraw/zinc/64/02/25/405640225.db2.gz NGPVQZGQDYUDPB-SFHVURJKSA-N 1 3 310.482 2.425 20 0 DEADHO COc1ccc(C2(CN[C@H]3CCC[C@H]3[NH3+])CCOCC2)cc1 ZINC000422897908 405690764 /nfs/dbraw/zinc/69/07/64/405690764.db2.gz KPEJBHLBWVDMTA-SJORKVTESA-N 1 3 304.434 2.213 20 0 DEADHO CC(C)[C@H](CN[C@H](C)C1C[NH2+]C1)N1CCc2ccccc2C1 ZINC000422937280 405691930 /nfs/dbraw/zinc/69/19/30/405691930.db2.gz JIYBDXYEJNMPSD-BEFAXECRSA-N 1 3 301.478 2.267 20 0 DEADHO C[C@H](C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)[C@H](N)c1ccccc1 ZINC000449689840 405694045 /nfs/dbraw/zinc/69/40/45/405694045.db2.gz LWBDHQAXYYTRCK-RANZSIQMSA-N 1 3 315.461 2.171 20 0 DEADHO Cc1ccc(C[C@H](CO)N[C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000423060304 405696963 /nfs/dbraw/zinc/69/69/63/405696963.db2.gz ODCIZFLKUWCREB-NSISKUIASA-N 1 3 312.457 2.447 20 0 DEADHO CC[C@@H](NCCN1CC[NH2+]CC1)c1cc(Cl)ccc1OC ZINC000423202723 405720923 /nfs/dbraw/zinc/72/09/23/405720923.db2.gz LDBUYXCVZKXDJT-OAHLLOKOSA-N 1 3 311.857 2.295 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000449728945 405714301 /nfs/dbraw/zinc/71/43/01/405714301.db2.gz XZKASZLCSGXNRH-QWHCGFSZSA-N 1 3 315.417 2.352 20 0 DEADHO CO[C@]1(CNCc2ccccc2C[N@H+](C)C(C)C)CCOC1 ZINC000638853191 405715660 /nfs/dbraw/zinc/71/56/60/405715660.db2.gz AXCDPARQPVRHEN-SFHVURJKSA-N 1 3 306.450 2.422 20 0 DEADHO CO[C@]1(CNCc2ccccc2C[N@@H+](C)C(C)C)CCOC1 ZINC000638853191 405715661 /nfs/dbraw/zinc/71/56/61/405715661.db2.gz AXCDPARQPVRHEN-SFHVURJKSA-N 1 3 306.450 2.422 20 0 DEADHO CC[C@H](CNC(=O)[C@H]([NH3+])C1CCC1)N1CCc2ccccc2C1 ZINC000423319969 405760862 /nfs/dbraw/zinc/76/08/62/405760862.db2.gz FVCMPVHHCYXNAA-QZTJIDSGSA-N 1 3 315.461 2.067 20 0 DEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccc(F)cc2)C1 ZINC000568750840 292364904 /nfs/dbraw/zinc/36/49/04/292364904.db2.gz LZIRYXLVYBDRKL-OAGGEKHMSA-N 1 3 310.413 2.028 20 0 DEADHO CC(C)c1ccc([C@H](N)CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000423233277 405732348 /nfs/dbraw/zinc/73/23/48/405732348.db2.gz DIRGKDGZDXNSTC-BVPBIZIASA-N 1 3 305.466 2.152 20 0 DEADHO CCC(N)(CC)C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000423282905 405748079 /nfs/dbraw/zinc/74/80/79/405748079.db2.gz DJBBQQIYGQDWCO-NVXWUHKLSA-N 1 3 304.482 2.399 20 0 DEADHO CCC([NH3+])(CC)CN[C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000423282905 405748086 /nfs/dbraw/zinc/74/80/86/405748086.db2.gz DJBBQQIYGQDWCO-NVXWUHKLSA-N 1 3 304.482 2.399 20 0 DEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)[C@H]2NCCCC2(C)C)C1 ZINC000423316431 405759134 /nfs/dbraw/zinc/75/91/34/405759134.db2.gz ATNTVIJECVUJOI-JKSUJKDBSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2NCCCC2(C)C)C1 ZINC000423316431 405759137 /nfs/dbraw/zinc/75/91/37/405759137.db2.gz ATNTVIJECVUJOI-JKSUJKDBSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C[C@H]2CCSC2)CC1 ZINC000494946848 405785976 /nfs/dbraw/zinc/78/59/76/405785976.db2.gz IVBBITAHCJWGDR-IXDOHACOSA-N 1 3 311.539 2.230 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C[C@H]2CCSC2)CC1 ZINC000494946848 405785980 /nfs/dbraw/zinc/78/59/80/405785980.db2.gz IVBBITAHCJWGDR-IXDOHACOSA-N 1 3 311.539 2.230 20 0 DEADHO C[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccs1 ZINC000423389968 405787091 /nfs/dbraw/zinc/78/70/91/405787091.db2.gz NWJSAEPOPKGTRS-JQWIXIFHSA-N 1 3 307.385 2.235 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CC1(C[NH3+])CC1 ZINC000423420456 405799670 /nfs/dbraw/zinc/79/96/70/405799670.db2.gz XEGLSAWHDVKRBF-DOTOQJQBSA-N 1 3 315.461 2.142 20 0 DEADHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000423426646 405803081 /nfs/dbraw/zinc/80/30/81/405803081.db2.gz NERYPOKAFBXGOY-HYVNUMGLSA-N 1 3 315.461 2.408 20 0 DEADHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000423426646 405803089 /nfs/dbraw/zinc/80/30/89/405803089.db2.gz NERYPOKAFBXGOY-HYVNUMGLSA-N 1 3 315.461 2.408 20 0 DEADHO C[N@@H+]1CC[C@H](N[C@H]2CNCCC2(F)F)C[C@H]1c1ccccc1 ZINC000423477767 405819161 /nfs/dbraw/zinc/81/91/61/405819161.db2.gz KJKBWDMTEGGPDQ-JYJNAYRXSA-N 1 3 309.404 2.409 20 0 DEADHO C[N@H+]1CC[C@H](N[C@H]2CNCCC2(F)F)C[C@H]1c1ccccc1 ZINC000423477767 405819165 /nfs/dbraw/zinc/81/91/65/405819165.db2.gz KJKBWDMTEGGPDQ-JYJNAYRXSA-N 1 3 309.404 2.409 20 0 DEADHO [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000639024464 405825352 /nfs/dbraw/zinc/82/53/52/405825352.db2.gz OSQCFTBQCAAXAM-KBXCAEBGSA-N 1 3 321.424 2.038 20 0 DEADHO Cc1ccccc1CCNC(=O)[C@H](C)N1CCC(CC[NH3+])CC1 ZINC000583569836 405763955 /nfs/dbraw/zinc/76/39/55/405763955.db2.gz PDSZHIZOFSMPHB-INIZCTEOSA-N 1 3 317.477 2.103 20 0 DEADHO CN1CC=C(C[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000495336573 405876112 /nfs/dbraw/zinc/87/61/12/405876112.db2.gz MHINHNZQVIBVHT-GOSISDBHSA-N 1 3 323.481 2.485 20 0 DEADHO [NH3+][C@H](CC1CCCCC1)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000423650080 405894050 /nfs/dbraw/zinc/89/40/50/405894050.db2.gz JTXKAYUVGACAEK-MRXNPFEDSA-N 1 3 317.433 2.405 20 0 DEADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CN1CC[C@H](C)C1 ZINC000561145009 405895371 /nfs/dbraw/zinc/89/53/71/405895371.db2.gz UVUWFIDLGPKSIW-INIZCTEOSA-N 1 3 317.477 2.485 20 0 DEADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CN1CC[C@H](C)C1 ZINC000561145009 405895377 /nfs/dbraw/zinc/89/53/77/405895377.db2.gz UVUWFIDLGPKSIW-INIZCTEOSA-N 1 3 317.477 2.485 20 0 DEADHO CCO[C@@H]1C[C@H](NCC2(C[NH+](C)C)CCCC2)[C@]12CCCO2 ZINC000639047983 405844760 /nfs/dbraw/zinc/84/47/60/405844760.db2.gz WRIWGGXLNIFCKF-LZLYRXPVSA-N 1 3 310.482 2.425 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000633800608 405847462 /nfs/dbraw/zinc/84/74/62/405847462.db2.gz UTLJGHILVXVVPC-WMZOPIPTSA-N 1 3 317.477 2.213 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000633800608 405847468 /nfs/dbraw/zinc/84/74/68/405847468.db2.gz UTLJGHILVXVVPC-WMZOPIPTSA-N 1 3 317.477 2.213 20 0 DEADHO C[N@H+](Cc1ccccc1)CC(C)(C)CNC[C@@H]1CCCC(=O)N1 ZINC000433199453 405897539 /nfs/dbraw/zinc/89/75/39/405897539.db2.gz LNQVMJYGEJLAOX-KRWDZBQOSA-N 1 3 317.477 2.403 20 0 DEADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNC[C@@H]1CCCC(=O)N1 ZINC000433199453 405897545 /nfs/dbraw/zinc/89/75/45/405897545.db2.gz LNQVMJYGEJLAOX-KRWDZBQOSA-N 1 3 317.477 2.403 20 0 DEADHO [NH3+]C[C@@H]1CCN(C(=O)[C@H]2CNCc3ccccc32)c2ccccc21 ZINC000639063070 405853687 /nfs/dbraw/zinc/85/36/87/405853687.db2.gz BFPZAGHRNWPFHP-KSSFIOAISA-N 1 3 321.424 2.353 20 0 DEADHO [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2CNCc3ccccc32)c2ccccc21 ZINC000639063068 405854591 /nfs/dbraw/zinc/85/45/91/405854591.db2.gz BFPZAGHRNWPFHP-KBXCAEBGSA-N 1 3 321.424 2.353 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)NC[C@H](C)[NH+](C)C)N(C)C)cc1 ZINC000457470314 405855847 /nfs/dbraw/zinc/85/58/47/405855847.db2.gz GEHFRMJTSCXQOQ-WMLDXEAASA-N 1 3 320.481 2.101 20 0 DEADHO CN[C@H](CC(C)(C)C)C(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000639068125 405858034 /nfs/dbraw/zinc/85/80/34/405858034.db2.gz QXPATJUUMGUBDX-DZGCQCFKSA-N 1 3 303.450 2.490 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@@H]2C[C@H](C)CCN2)C1 ZINC000423729804 405930736 /nfs/dbraw/zinc/93/07/36/405930736.db2.gz OJBBXRSNMABKAW-UUAJXVIYSA-N 1 3 307.482 2.238 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@H]2C[C@H](C)CCN2)C1 ZINC000423729804 405930746 /nfs/dbraw/zinc/93/07/46/405930746.db2.gz OJBBXRSNMABKAW-UUAJXVIYSA-N 1 3 307.482 2.238 20 0 DEADHO C[NH2+]C[C@H](C)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000423744511 405941404 /nfs/dbraw/zinc/94/14/04/405941404.db2.gz LLDLRVFKKORXRN-KRWDZBQOSA-N 1 3 317.477 2.009 20 0 DEADHO C[NH2+]C[C@@H](C)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000423746598 405943507 /nfs/dbraw/zinc/94/35/07/405943507.db2.gz NWATVUALQKEGIT-CYBMUJFWSA-N 1 3 311.857 2.086 20 0 DEADHO CC(C)CN(C(=O)C[C@H]1CCCC[C@@H]1[NH3+])C1CCN(C)CC1 ZINC000423760348 405951920 /nfs/dbraw/zinc/95/19/20/405951920.db2.gz NBUIJYFEZYGTCC-WBVHZDCISA-N 1 3 309.498 2.473 20 0 DEADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423760427 405952164 /nfs/dbraw/zinc/95/21/64/405952164.db2.gz NFAAAOGMNRAQSZ-YTTRVJOFSA-N 1 3 307.482 2.096 20 0 DEADHO CCOC(=O)COc1ccc(C[N@H+](C)C[C@@H]2CCN(C)C2)cc1 ZINC000434185915 406029331 /nfs/dbraw/zinc/02/93/31/406029331.db2.gz CHPYOXSXCOTCKX-MRXNPFEDSA-N 1 3 320.433 2.012 20 0 DEADHO CCOC(=O)COc1ccc(C[N@@H+](C)C[C@@H]2CCN(C)C2)cc1 ZINC000434185915 406029337 /nfs/dbraw/zinc/02/93/37/406029337.db2.gz CHPYOXSXCOTCKX-MRXNPFEDSA-N 1 3 320.433 2.012 20 0 DEADHO CCC[NH+]1CCC(NC[C@@H](CO)c2ccc(OC)cc2)CC1 ZINC000459755201 406033846 /nfs/dbraw/zinc/03/38/46/406033846.db2.gz PWQITAOPOGAGFC-INIZCTEOSA-N 1 3 306.450 2.235 20 0 DEADHO C[C@@H](C(=O)NC1CC([NH+]2CCCCC2)C1)[C@@H](N)c1ccccc1 ZINC000423808865 405985898 /nfs/dbraw/zinc/98/58/98/405985898.db2.gz ZXYHFCGUBRNCFA-AGERRDQYSA-N 1 3 315.461 2.456 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634297961 406089266 /nfs/dbraw/zinc/08/92/66/406089266.db2.gz IUDSGAHGTLKOAU-KRWDZBQOSA-N 1 3 324.513 2.426 20 0 DEADHO CCN1CCC(NC(=O)C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)CC1 ZINC000464882850 406090476 /nfs/dbraw/zinc/09/04/76/406090476.db2.gz LHAJVGKHBONERZ-VYDXJSESSA-N 1 3 307.482 2.240 20 0 DEADHO CCN1CCC(NC(=O)C[N@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)CC1 ZINC000464882850 406090479 /nfs/dbraw/zinc/09/04/79/406090479.db2.gz LHAJVGKHBONERZ-VYDXJSESSA-N 1 3 307.482 2.240 20 0 DEADHO CO[C@]1(C[NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@H]2C)CCOC1 ZINC000639360522 406064868 /nfs/dbraw/zinc/06/48/68/406064868.db2.gz XASFMUUNBLWNLT-QRQLOZEOSA-N 1 3 318.461 2.150 20 0 DEADHO CO[C@]1(CNC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CCOC1 ZINC000639360522 406064869 /nfs/dbraw/zinc/06/48/69/406064869.db2.gz XASFMUUNBLWNLT-QRQLOZEOSA-N 1 3 318.461 2.150 20 0 DEADHO CO[C@]1(CNC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCOC1 ZINC000639360522 406064870 /nfs/dbraw/zinc/06/48/70/406064870.db2.gz XASFMUUNBLWNLT-QRQLOZEOSA-N 1 3 318.461 2.150 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)NC[C@H]2CCCC[NH2+]2)cc1 ZINC000634269042 406074537 /nfs/dbraw/zinc/07/45/37/406074537.db2.gz DNNKUHDKJQSHEY-IAGOWNOFSA-N 1 3 318.465 2.251 20 0 DEADHO OC[C@H](CNC1CC[NH+](CC2CC2)CC1)Cc1ccc(F)cc1 ZINC000532468123 406079203 /nfs/dbraw/zinc/07/92/03/406079203.db2.gz FOHVJJPVCQRBED-KRWDZBQOSA-N 1 3 320.452 2.441 20 0 DEADHO c1ccc2c(c1)CC(CN1CCN(CC[NH+]3CCCC3)CC1)C2 ZINC000568937963 292377412 /nfs/dbraw/zinc/37/74/12/292377412.db2.gz PPJFODMFALOIFV-UHFFFAOYSA-N 1 3 313.489 2.115 20 0 DEADHO Cc1cccc(C)c1OCCCNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000567681571 406117492 /nfs/dbraw/zinc/11/74/92/406117492.db2.gz VYDCZLKQMMINKF-KRWDZBQOSA-N 1 3 306.450 2.117 20 0 DEADHO Cc1cccc(C)c1OCCCNC[C@H](O)C[N@H+](C)C1CC1 ZINC000567681571 406117498 /nfs/dbraw/zinc/11/74/98/406117498.db2.gz VYDCZLKQMMINKF-KRWDZBQOSA-N 1 3 306.450 2.117 20 0 DEADHO C[C@H](CC(=O)Nc1ccc(F)cc1)NCC[N@@H+]1CC[C@H](C)C1 ZINC000517198150 406123509 /nfs/dbraw/zinc/12/35/09/406123509.db2.gz QBWFVSBHPCBANI-UONOGXRCSA-N 1 3 307.413 2.474 20 0 DEADHO C[C@H](CC(=O)Nc1ccc(F)cc1)NCC[N@H+]1CC[C@H](C)C1 ZINC000517198150 406123512 /nfs/dbraw/zinc/12/35/12/406123512.db2.gz QBWFVSBHPCBANI-UONOGXRCSA-N 1 3 307.413 2.474 20 0 DEADHO C[C@@H](CC(=O)N1CCCCCC1)NCc1ccc(C[NH3+])cc1 ZINC000518534117 406144937 /nfs/dbraw/zinc/14/49/37/406144937.db2.gz AGKMWDCTFDQFIW-HNNXBMFYSA-N 1 3 303.450 2.416 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCCN(C)C1 ZINC000518716844 406154315 /nfs/dbraw/zinc/15/43/15/406154315.db2.gz MRMRMWJQSYLPLE-IAGOWNOFSA-N 1 3 324.513 2.282 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCCN(C)C1 ZINC000518716844 406154320 /nfs/dbraw/zinc/15/43/20/406154320.db2.gz MRMRMWJQSYLPLE-IAGOWNOFSA-N 1 3 324.513 2.282 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccccc1CN1CCOCC1 ZINC000568074786 406188803 /nfs/dbraw/zinc/18/88/03/406188803.db2.gz SXHQACAIKNCYBI-APWZRJJASA-N 1 3 317.477 2.126 20 0 DEADHO Cc1ccc([C@H](CNC(=O)N(C)CCC[NH3+])N2CCCC2)cc1 ZINC000519358834 406193322 /nfs/dbraw/zinc/19/33/22/406193322.db2.gz HRFIUADEBIDWDQ-KRWDZBQOSA-N 1 3 318.465 2.122 20 0 DEADHO C(=C/c1ccncc1)\C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000487314775 406224061 /nfs/dbraw/zinc/22/40/61/406224061.db2.gz GVNLZMZJTFAOOV-IMLGJKEDSA-N 1 3 301.434 2.185 20 0 DEADHO C[NH+]1CCC2(CCN([C@@H]3CCN(c4ccccc4)C3=O)C2)CC1 ZINC000639758048 406237762 /nfs/dbraw/zinc/23/77/62/406237762.db2.gz OVYAMFXZDDWVBK-QGZVFWFLSA-N 1 3 313.445 2.210 20 0 DEADHO C[C@@H](NC(=O)N[C@@H](C)C[C@H](C)[NH3+])[C@@H](c1ccccc1)N(C)C ZINC000568999246 292383011 /nfs/dbraw/zinc/38/30/11/292383011.db2.gz VTUXFACGGFLEDQ-AYDFFVQHSA-N 1 3 306.454 2.103 20 0 DEADHO CN(C)[C@@H](CNC(=O)C[NH2+][C@@H]1CCC1(C)C)c1ccccc1 ZINC000569017696 292384725 /nfs/dbraw/zinc/38/47/25/292384725.db2.gz UVLRMCQJSLZXBB-JKSUJKDBSA-N 1 3 303.450 2.184 20 0 DEADHO COCCCn1nccc1CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000367344150 292384752 /nfs/dbraw/zinc/38/47/52/292384752.db2.gz UAOFWCSOTQBGBU-UHFFFAOYSA-N 1 3 320.481 2.227 20 0 DEADHO CCC1(CC)[C@@H]([NH2+]CCCCN2CCN(C)CC2)C[C@@H]1OC ZINC000537294991 406287729 /nfs/dbraw/zinc/28/77/29/406287729.db2.gz FRKYRJLBXCYYCD-IRXDYDNUSA-N 1 3 311.514 2.197 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000637471591 406318937 /nfs/dbraw/zinc/31/89/37/406318937.db2.gz WFEPZBLBHRUMKD-IRXDYDNUSA-N 1 3 322.497 2.127 20 0 DEADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000637471591 406318943 /nfs/dbraw/zinc/31/89/43/406318943.db2.gz WFEPZBLBHRUMKD-IRXDYDNUSA-N 1 3 322.497 2.127 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000637471592 406319916 /nfs/dbraw/zinc/31/99/16/406319916.db2.gz WFEPZBLBHRUMKD-SJORKVTESA-N 1 3 322.497 2.127 20 0 DEADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000637471592 406319918 /nfs/dbraw/zinc/31/99/18/406319918.db2.gz WFEPZBLBHRUMKD-SJORKVTESA-N 1 3 322.497 2.127 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]([NH3+])Cc1ccccc1 ZINC000569966680 406328237 /nfs/dbraw/zinc/32/82/37/406328237.db2.gz BUZMGLCSRISPMH-KURKYZTESA-N 1 3 315.461 2.032 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC[C@H](O)C[N@H+](C)C1CC1)N(C)C ZINC000570038165 406336589 /nfs/dbraw/zinc/33/65/89/406336589.db2.gz XBXYSLCSWPMAGO-IEZWGBDMSA-N 1 3 319.493 2.031 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC[C@H](O)C[N@@H+](C)C1CC1)N(C)C ZINC000570038165 406336593 /nfs/dbraw/zinc/33/65/93/406336593.db2.gz XBXYSLCSWPMAGO-IEZWGBDMSA-N 1 3 319.493 2.031 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489213580 406384372 /nfs/dbraw/zinc/38/43/72/406384372.db2.gz HVZPVFKPKYNTCB-YYIAUSFCSA-N 1 3 324.513 2.421 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@@H](C3CCC3)CC2)CC1 ZINC000640106853 406395279 /nfs/dbraw/zinc/39/52/79/406395279.db2.gz UQDNHYXROQOFDD-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1C[C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)[C@H](C)O1 ZINC000635003277 406395680 /nfs/dbraw/zinc/39/56/80/406395680.db2.gz BMJXRASJZVXQDT-QXSSDPEGSA-N 1 3 302.418 2.398 20 0 DEADHO C[C@@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1cccc(-n2cnnn2)c1 ZINC000635009045 406398428 /nfs/dbraw/zinc/39/84/28/406398428.db2.gz GEXRWBJQUAAOQH-UKRRQHHQSA-N 1 3 314.437 2.091 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000637799866 406424590 /nfs/dbraw/zinc/42/45/90/406424590.db2.gz RIICNQVSSXMMKL-SJORKVTESA-N 1 3 301.434 2.233 20 0 DEADHO CCN(CC)[C@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000637799864 406425165 /nfs/dbraw/zinc/42/51/65/406425165.db2.gz RIICNQVSSXMMKL-IAGOWNOFSA-N 1 3 301.434 2.233 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CN1C1CC1 ZINC000546721820 406378086 /nfs/dbraw/zinc/37/80/86/406378086.db2.gz BIKVGCPUBNZHRL-CABCVRRESA-N 1 3 307.482 2.382 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CN1C1CC1 ZINC000546721820 406378089 /nfs/dbraw/zinc/37/80/89/406378089.db2.gz BIKVGCPUBNZHRL-CABCVRRESA-N 1 3 307.482 2.382 20 0 DEADHO CN(CC1CCN(C)CC1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548061598 406474502 /nfs/dbraw/zinc/47/45/02/406474502.db2.gz VOKIJFTVDYXHAT-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CN(CC1CCN(C)CC1)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548061598 406474510 /nfs/dbraw/zinc/47/45/10/406474510.db2.gz VOKIJFTVDYXHAT-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)c1ccco1 ZINC000640300950 406458068 /nfs/dbraw/zinc/45/80/68/406458068.db2.gz WPDUJORZFPVRAW-KBPBESRZSA-N 1 3 307.438 2.167 20 0 DEADHO CCN[C@@H](C)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000638092743 406565936 /nfs/dbraw/zinc/56/59/36/406565936.db2.gz ZXBHJQZRPPBCLP-ZDUSSCGKSA-N 1 3 304.438 2.129 20 0 DEADHO O[C@H](CNC1CC[NH+](C2CC2)CC1)COc1ccccc1Cl ZINC000571790170 406567381 /nfs/dbraw/zinc/56/73/81/406567381.db2.gz BFRXAMNMDIGCHL-OAHLLOKOSA-N 1 3 324.852 2.296 20 0 DEADHO CO[C@](C)(CN1CCN(C2CC[NH+](C(C)C)CC2)CC1)C1CC1 ZINC000638155001 406596720 /nfs/dbraw/zinc/59/67/20/406596720.db2.gz XPFRHHMLYUNXNA-LJQANCHMSA-N 1 3 323.525 2.292 20 0 DEADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1CCN1C1CCCC1 ZINC000635613644 406623632 /nfs/dbraw/zinc/62/36/32/406623632.db2.gz BQVHNEDWXCBACK-RDJZCZTQSA-N 1 3 307.482 2.336 20 0 DEADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]1CCN1C1CCCC1 ZINC000635613644 406623636 /nfs/dbraw/zinc/62/36/36/406623636.db2.gz BQVHNEDWXCBACK-RDJZCZTQSA-N 1 3 307.482 2.336 20 0 DEADHO CC[NH2+][C@H](C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000638114083 406576531 /nfs/dbraw/zinc/57/65/31/406576531.db2.gz XBMBRBUYFVRYIA-JFIYKMOQSA-N 1 3 317.477 2.496 20 0 DEADHO Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000572511741 406684326 /nfs/dbraw/zinc/68/43/26/406684326.db2.gz NTQUXFUOIJNLHG-GVDBMIGSSA-N 1 3 306.450 2.197 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@H]2[NH2+]CC2(C)C)N2CCCC2)cc1 ZINC000645801910 406638551 /nfs/dbraw/zinc/63/85/51/406638551.db2.gz QJAULSRCBHHDBJ-IAGOWNOFSA-N 1 3 315.461 2.246 20 0 DEADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC000635635167 406641906 /nfs/dbraw/zinc/64/19/06/406641906.db2.gz IESQTBNZRWJNJC-WMZOPIPTSA-N 1 3 319.493 2.194 20 0 DEADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC000635635167 406641912 /nfs/dbraw/zinc/64/19/12/406641912.db2.gz IESQTBNZRWJNJC-WMZOPIPTSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H]2NCC2(C)C)C1 ZINC000645989574 406732687 /nfs/dbraw/zinc/73/26/87/406732687.db2.gz MIHBVXOJLGPUMQ-OAGGEKHMSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]2NCC2(C)C)C1 ZINC000645989574 406732690 /nfs/dbraw/zinc/73/26/90/406732690.db2.gz MIHBVXOJLGPUMQ-OAGGEKHMSA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)CCOc1cccc(C[NH2+]CCCc2cnn(C)c2)c1 ZINC000638382595 406737945 /nfs/dbraw/zinc/73/79/45/406737945.db2.gz XUJGCZGWLLNIEW-UHFFFAOYSA-N 1 3 316.449 2.083 20 0 DEADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)/C=C\CN(C)C)C2)CC1 ZINC000491871497 406756832 /nfs/dbraw/zinc/75/68/32/406756832.db2.gz QPPJCUPXOKMGRP-XTKXOIQPSA-N 1 3 307.482 2.075 20 0 DEADHO CN(C(=O)/C=C\C[NH+](C)C)C1CCN(Cc2ccccc2)CC1 ZINC000491893837 406767433 /nfs/dbraw/zinc/76/74/33/406767433.db2.gz PSBGRSDUHWCLAA-YFHOEESVSA-N 1 3 315.461 2.227 20 0 DEADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)C1(C[NH+](C)C)CC1 ZINC000635731889 406713754 /nfs/dbraw/zinc/71/37/54/406713754.db2.gz JQIDTMBIMCIBFY-UHFFFAOYSA-N 1 3 317.477 2.355 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)[C@H](C)[NH3+] ZINC000646105923 406782867 /nfs/dbraw/zinc/78/28/67/406782867.db2.gz MDBSMRGAKOZYEO-JQHSSLGASA-N 1 3 317.477 2.339 20 0 DEADHO O=C(N[C@@H]1CCC[NH2+]CC1)N1CCN(CC2CCCCC2)CC1 ZINC000641052379 406805706 /nfs/dbraw/zinc/80/57/06/406805706.db2.gz MHMRPSPSYINKFE-QGZVFWFLSA-N 1 3 322.497 2.036 20 0 DEADHO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000646139630 406795332 /nfs/dbraw/zinc/79/53/32/406795332.db2.gz IFSKPZHWUXSSDA-NVXWUHKLSA-N 1 3 317.477 2.081 20 0 DEADHO C[C@H]([NH2+]CCN1CCCC1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000554452081 406798553 /nfs/dbraw/zinc/79/85/53/406798553.db2.gz XJTSOTFTUIPAML-FUHWJXTLSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@H](NCCN1CCCC1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554452081 406798560 /nfs/dbraw/zinc/79/85/60/406798560.db2.gz XJTSOTFTUIPAML-FUHWJXTLSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@H](NCCN1CCCC1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554452081 406798565 /nfs/dbraw/zinc/79/85/65/406798565.db2.gz XJTSOTFTUIPAML-FUHWJXTLSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@H]([NH2+]CCN1CCCC1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000554452083 406798875 /nfs/dbraw/zinc/79/88/75/406798875.db2.gz XJTSOTFTUIPAML-WMZOPIPTSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@H](NCCN1CCCC1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554452083 406798881 /nfs/dbraw/zinc/79/88/81/406798881.db2.gz XJTSOTFTUIPAML-WMZOPIPTSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@H](NCCN1CCCC1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554452083 406798884 /nfs/dbraw/zinc/79/88/84/406798884.db2.gz XJTSOTFTUIPAML-WMZOPIPTSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000646183337 406810921 /nfs/dbraw/zinc/81/09/21/406810921.db2.gz VBNYLENRHCSIBK-ZOBUZTSGSA-N 1 3 318.465 2.249 20 0 DEADHO CC[C@H](C(=O)N1CCC[N@H+](CC2CCC2)CC1)N(CC)CC ZINC000555535387 406846733 /nfs/dbraw/zinc/84/67/33/406846733.db2.gz LRNOSOWAYWFNGD-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@H](C(=O)N1CCC[N@@H+](CC2CCC2)CC1)N(CC)CC ZINC000555535387 406846736 /nfs/dbraw/zinc/84/67/36/406846736.db2.gz LRNOSOWAYWFNGD-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO Cc1cc(NC(=O)C[C@@H](C)[NH3+])cc(N2CCN(C(C)C)CC2)c1 ZINC000646542153 406879158 /nfs/dbraw/zinc/87/91/58/406879158.db2.gz YHMYFUHSNJKUJK-OAHLLOKOSA-N 1 3 318.465 2.201 20 0 DEADHO C[C@H]1CCC[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)CC1 ZINC000641762504 406887389 /nfs/dbraw/zinc/88/73/89/406887389.db2.gz LCXXLSTWBPCHAU-ZWKOTPCHSA-N 1 3 323.525 2.341 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)CO1 ZINC000647209631 406972249 /nfs/dbraw/zinc/97/22/49/406972249.db2.gz SDFRQAWNWQFKNV-GOEBONIOSA-N 1 3 304.434 2.427 20 0 DEADHO C[C@H](NC[C@@H]1CCCC[NH2+]1)c1cccc(OCCN(C)C)c1 ZINC000643501734 407008979 /nfs/dbraw/zinc/00/89/79/407008979.db2.gz OVXBIPMSIDOHSC-RDJZCZTQSA-N 1 3 305.466 2.420 20 0 DEADHO C[C@H](N[C@@H](C[NH3+])C1CCCCC1)c1cccc(-n2cnnn2)c1 ZINC000643511258 407009408 /nfs/dbraw/zinc/00/94/08/407009408.db2.gz IPXLAYJBSMJPMH-GUYCJALGSA-N 1 3 314.437 2.221 20 0 DEADHO Clc1ccc2nc(CN[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)cn2c1 ZINC000647788089 407050624 /nfs/dbraw/zinc/05/06/24/407050624.db2.gz CAJNTJCAHRRHCI-YRGRVCCFSA-N 1 3 304.825 2.465 20 0 DEADHO CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000647552546 407019975 /nfs/dbraw/zinc/01/99/75/407019975.db2.gz GALLLKGEYGHVFM-YESZJQIVSA-N 1 3 321.509 2.332 20 0 DEADHO CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000647552546 407019976 /nfs/dbraw/zinc/01/99/76/407019976.db2.gz GALLLKGEYGHVFM-YESZJQIVSA-N 1 3 321.509 2.332 20 0 DEADHO C[C@@H]1C[C@H](C)N(Cc2ccc(C(=O)NC3CC3)cc2)C[C@@H]1C[NH3+] ZINC000643427605 406999090 /nfs/dbraw/zinc/99/90/90/406999090.db2.gz LYSZXMNMEYGTHO-KEYYUXOJSA-N 1 3 315.461 2.384 20 0 DEADHO Cc1cccc(C)c1OC[C@H](O)CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000643464020 407003482 /nfs/dbraw/zinc/00/34/82/407003482.db2.gz UUNGATMJOTYUBX-ZACQAIPSSA-N 1 3 306.450 2.150 20 0 DEADHO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000643464020 407003484 /nfs/dbraw/zinc/00/34/84/407003484.db2.gz UUNGATMJOTYUBX-ZACQAIPSSA-N 1 3 306.450 2.150 20 0 DEADHO CC(C)COc1ccc(CN(C)CCN2CC[NH2+]CC2)cc1 ZINC000647492933 407006977 /nfs/dbraw/zinc/00/69/77/407006977.db2.gz JLEZLQVNNQWWEB-UHFFFAOYSA-N 1 3 305.466 2.058 20 0 DEADHO CC(C)CCOc1ccc(CN(C)CCN2CC[NH2+]CC2)cc1 ZINC000647493422 407007077 /nfs/dbraw/zinc/00/70/77/407007077.db2.gz NQJBIEIELSGTAA-UHFFFAOYSA-N 1 3 319.493 2.449 20 0 DEADHO CC(C)(C)CCNC(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978057 407092678 /nfs/dbraw/zinc/09/26/78/407092678.db2.gz LTCQLDFQFVXMKG-JKSUJKDBSA-N 1 3 309.498 2.250 20 0 DEADHO COc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H](C)CN(C)C)c1 ZINC000644411857 407124331 /nfs/dbraw/zinc/12/43/31/407124331.db2.gz BSVWPLJGBRYQKM-CYBMUJFWSA-N 1 3 302.422 2.373 20 0 DEADHO CCCCN(CCCC1CC[NH2+]CC1)[C@H]1CCS(=O)(=O)C1 ZINC000647871185 407064503 /nfs/dbraw/zinc/06/45/03/407064503.db2.gz WDYFAONTMZUBLT-INIZCTEOSA-N 1 3 316.511 2.055 20 0 DEADHO CC[C@H]1CN(CCC(=O)Nc2cc(F)cc(F)c2)CC[C@@H]1[NH3+] ZINC000647936382 407079447 /nfs/dbraw/zinc/07/94/47/407079447.db2.gz CJWWYVIIBAPMJC-NHYWBVRUSA-N 1 3 311.376 2.353 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC[N@@H+]1C ZINC000648127251 407123540 /nfs/dbraw/zinc/12/35/40/407123540.db2.gz DBLFSEVATXHGGX-XWIAVFTESA-N 1 3 311.429 2.296 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC[N@H+]1C ZINC000648127251 407123541 /nfs/dbraw/zinc/12/35/41/407123541.db2.gz DBLFSEVATXHGGX-XWIAVFTESA-N 1 3 311.429 2.296 20 0 DEADHO CCN(CCC[NH+](CC)CC)C(=O)C1(N)Cc2ccccc2C1 ZINC000648157922 407128345 /nfs/dbraw/zinc/12/83/45/407128345.db2.gz SZGAYAVHMPFMSY-UHFFFAOYSA-N 1 3 317.477 2.063 20 0 DEADHO CCOC[C@H](O)CNCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000644522433 407135042 /nfs/dbraw/zinc/13/50/42/407135042.db2.gz XFKZPQRUICAAPQ-QFBILLFUSA-N 1 3 320.477 2.406 20 0 DEADHO CCOC[C@H](O)CNCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000644522433 407135045 /nfs/dbraw/zinc/13/50/45/407135045.db2.gz XFKZPQRUICAAPQ-QFBILLFUSA-N 1 3 320.477 2.406 20 0 DEADHO Cc1ccc(CCNC[C@@H](O)C[N@@H+](C)Cc2ccccc2)o1 ZINC000644520569 407135163 /nfs/dbraw/zinc/13/51/63/407135163.db2.gz FDUBFDLJPBAXRF-QGZVFWFLSA-N 1 3 302.418 2.213 20 0 DEADHO Cc1ccc(CCNC[C@@H](O)C[N@H+](C)Cc2ccccc2)o1 ZINC000644520569 407135165 /nfs/dbraw/zinc/13/51/65/407135165.db2.gz FDUBFDLJPBAXRF-QGZVFWFLSA-N 1 3 302.418 2.213 20 0 DEADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)COc2ccccc2F)CC1 ZINC000644525394 407135546 /nfs/dbraw/zinc/13/55/46/407135546.db2.gz DLGFCFUCEOUCRJ-HNNXBMFYSA-N 1 3 324.440 2.418 20 0 DEADHO CCCN(C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCN(C)C1 ZINC000645162231 407240035 /nfs/dbraw/zinc/24/00/35/407240035.db2.gz HOELNRPDGRWSCE-YESZJQIVSA-N 1 3 324.513 2.375 20 0 DEADHO CCCN(C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C)[C@@H]1CCN(C)C1 ZINC000645162231 407240037 /nfs/dbraw/zinc/24/00/37/407240037.db2.gz HOELNRPDGRWSCE-YESZJQIVSA-N 1 3 324.513 2.375 20 0 DEADHO CCCN(C(=O)NCC1(C[NH+](C)C)CCCC1)[C@@H]1CCN(C)C1 ZINC000645434914 407278537 /nfs/dbraw/zinc/27/85/37/407278537.db2.gz TYOKNIHLLDOQNN-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO CCCN(C(=O)NCCCCC[NH+]1CCCC1)[C@@H]1CCN(C)C1 ZINC000645517678 407288291 /nfs/dbraw/zinc/28/82/91/407288291.db2.gz JJVMSAAWSNBDMU-QGZVFWFLSA-N 1 3 324.513 2.378 20 0 DEADHO C[C@H]1CC[NH2+]C[C@H]1NCC(C)(C)N1CCc2ccccc2C1 ZINC000422702206 533677667 /nfs/dbraw/zinc/67/76/67/533677667.db2.gz KFLCQEFDRASZOF-MAUKXSAKSA-N 1 3 301.478 2.411 20 0 DEADHO C[C@H]1CCNC[C@H]1[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000422702206 533677677 /nfs/dbraw/zinc/67/76/77/533677677.db2.gz KFLCQEFDRASZOF-MAUKXSAKSA-N 1 3 301.478 2.411 20 0 DEADHO CC[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc2c(c1)CCO2 ZINC000268996113 286904154 /nfs/dbraw/zinc/90/41/54/286904154.db2.gz NUMXQLCJFATBLF-MRXNPFEDSA-N 1 3 304.434 2.119 20 0 DEADHO COC[C@H](O)CNCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000570794266 292506807 /nfs/dbraw/zinc/50/68/07/292506807.db2.gz GTUSMPOARGJSFB-TXPKVOOTSA-N 1 3 320.477 2.261 20 0 DEADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CNCc2ccccc21 ZINC000570799018 292507303 /nfs/dbraw/zinc/50/73/03/292507303.db2.gz BAJSSSRTGQUWRZ-KBXCAEBGSA-N 1 3 315.461 2.062 20 0 DEADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@H](N)CCSC)CC1 ZINC000131062723 196137082 /nfs/dbraw/zinc/13/70/82/196137082.db2.gz MFQSKBLFWZIBOY-OAHLLOKOSA-N 1 3 315.527 2.037 20 0 DEADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](N)CCSC)CC1 ZINC000131062723 196137084 /nfs/dbraw/zinc/13/70/84/196137084.db2.gz MFQSKBLFWZIBOY-OAHLLOKOSA-N 1 3 315.527 2.037 20 0 DEADHO Cc1nccnc1[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000187881934 225001650 /nfs/dbraw/zinc/00/16/50/225001650.db2.gz DMCPZWIVIFPMBA-KFWWJZLASA-N 1 3 306.454 2.325 20 0 DEADHO C[C@@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1cccc(OCCN(C)C)c1 ZINC000296653923 226090264 /nfs/dbraw/zinc/09/02/64/226090264.db2.gz ZDIHFAZNNWVTDL-INMHGKMJSA-N 1 3 306.450 2.439 20 0 DEADHO COC1CCC(NCc2ccncc2OCCC[NH+](C)C)CC1 ZINC000290261284 221530231 /nfs/dbraw/zinc/53/02/31/221530231.db2.gz KROROEMFOHNRCR-UHFFFAOYSA-N 1 3 321.465 2.459 20 0 DEADHO Fc1cccnc1OCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297341239 227033620 /nfs/dbraw/zinc/03/36/20/227033620.db2.gz DPGZXSYYXSCEJT-UHFFFAOYSA-N 1 3 316.380 2.253 20 0 DEADHO C[C@@H](NC(=O)N(CCC[NH3+])CC1CCCC1)C1=CCN(C)CC1 ZINC000417991368 229176009 /nfs/dbraw/zinc/17/60/09/229176009.db2.gz LKALNDUAAZCLBG-OAHLLOKOSA-N 1 3 322.497 2.187 20 0 DEADHO CN(C)CCN(C)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418487882 229365015 /nfs/dbraw/zinc/36/50/15/229365015.db2.gz LZKHUKCNBLZQMA-KRWDZBQOSA-N 1 3 314.433 2.043 20 0 DEADHO COc1ccc(CCN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000420374664 229684496 /nfs/dbraw/zinc/68/44/96/229684496.db2.gz HVUPGUGIBCEXCG-MOPGFXCFSA-N 1 3 318.461 2.456 20 0 DEADHO COC1([C@H](C)[NH2+]Cc2ccnc(OCCN(C)C)c2)CCCC1 ZINC000421839766 230007925 /nfs/dbraw/zinc/00/79/25/230007925.db2.gz YIJRPPCAFNMARO-HNNXBMFYSA-N 1 3 321.465 2.459 20 0 DEADHO COc1cc(Cl)ccc1[C@@H](C)NCC1(O)CC[NH+](C)CC1 ZINC000421828420 230008411 /nfs/dbraw/zinc/00/84/11/230008411.db2.gz CPSTXGSJASVNTM-GFCCVEGCSA-N 1 3 312.841 2.456 20 0 DEADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1cccc(C2CC2)c1 ZINC000422553097 230140068 /nfs/dbraw/zinc/14/00/68/230140068.db2.gz JDFVJCMLWVSGEA-SFHVURJKSA-N 1 3 315.461 2.384 20 0 DEADHO C[C@H]1C[C@H](NC(=O)NC(C)(C)CC[NH3+])CN1Cc1ccccc1 ZINC000422606583 230152924 /nfs/dbraw/zinc/15/29/24/230152924.db2.gz SMHYDAADAPZCMU-HOCLYGCPSA-N 1 3 318.465 2.076 20 0 DEADHO O=C1CCCCCN1CCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422758153 230191919 /nfs/dbraw/zinc/19/19/19/230191919.db2.gz NPFRZEDSMSOCHL-GVDBMIGSSA-N 1 3 307.482 2.289 20 0 DEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H](CO)Cc1ccccc1 ZINC000422766959 230197566 /nfs/dbraw/zinc/19/75/66/230197566.db2.gz RNZDASSGACEROT-VDGAXYAQSA-N 1 3 312.457 2.386 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(OC(F)(F)F)cc1 ZINC000422799800 230215791 /nfs/dbraw/zinc/21/57/91/230215791.db2.gz YMPBDYLUZBKGHJ-LEWSCRJBSA-N 1 3 318.339 2.427 20 0 DEADHO C[C@@H](NC1CCN(C(=O)c2ccco2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422820363 230227769 /nfs/dbraw/zinc/22/77/69/230227769.db2.gz QFCCAFDKHBEPJX-HIFRSBDPSA-N 1 3 305.422 2.004 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)COCC(F)(F)F ZINC000422949838 230290259 /nfs/dbraw/zinc/29/02/59/230290259.db2.gz WUFCLXQRCKQGDU-UWVGGRQHSA-N 1 3 305.344 2.467 20 0 DEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCNC(=O)c1ccc(F)cc1 ZINC000422959245 230295652 /nfs/dbraw/zinc/29/56/52/230295652.db2.gz REIGAWDNUADIKR-ZBFHGGJFSA-N 1 3 307.413 2.053 20 0 DEADHO COC[C@@H](CCC[NH3+])N[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000423017218 230317146 /nfs/dbraw/zinc/31/71/46/230317146.db2.gz VYYIPZPKLHJSLP-MAUKXSAKSA-N 1 3 316.449 2.336 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@@H]1CCCN(c2ccccc2F)C1 ZINC000423013690 230317158 /nfs/dbraw/zinc/31/71/58/230317158.db2.gz NHUZWVPSAMXMTK-IVSAIRAKSA-N 1 3 321.440 2.136 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCN(c2ccccc2F)C1 ZINC000423013690 230317164 /nfs/dbraw/zinc/31/71/64/230317164.db2.gz NHUZWVPSAMXMTK-IVSAIRAKSA-N 1 3 321.440 2.136 20 0 DEADHO Cc1cccc(C[C@H](CO)N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423058333 230332431 /nfs/dbraw/zinc/33/24/31/230332431.db2.gz JKICTSPWDFUWTM-AKHDSKFASA-N 1 3 302.462 2.409 20 0 DEADHO Cc1c2ccccc2n(C)c1CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000423083320 230344847 /nfs/dbraw/zinc/34/48/47/230344847.db2.gz FUYMCDCKNAAINW-CWRNSKLLSA-N 1 3 301.434 2.329 20 0 DEADHO C[C@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)[C@@H]1C)N1CCCCCC1 ZINC001088897275 782031720 /nfs/dbraw/zinc/03/17/20/782031720.db2.gz BRBLYHFJKLYXEY-INMHGKMJSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CC2)[C@@H]1C)N1CCCCCC1 ZINC001088897275 782031723 /nfs/dbraw/zinc/03/17/23/782031723.db2.gz BRBLYHFJKLYXEY-INMHGKMJSA-N 1 3 307.482 2.240 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000155674487 424862495 /nfs/dbraw/zinc/86/24/95/424862495.db2.gz JHZOTRVOEUTGFX-NXOAAHMSSA-N 1 3 309.498 2.473 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000155674487 424862499 /nfs/dbraw/zinc/86/24/99/424862499.db2.gz JHZOTRVOEUTGFX-NXOAAHMSSA-N 1 3 309.498 2.473 20 0 DEADHO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000648691232 424894498 /nfs/dbraw/zinc/89/44/98/424894498.db2.gz UUGSWYXAUVZOBM-FUHWJXTLSA-N 1 3 306.450 2.220 20 0 DEADHO CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000648691232 424894499 /nfs/dbraw/zinc/89/44/99/424894499.db2.gz UUGSWYXAUVZOBM-FUHWJXTLSA-N 1 3 306.450 2.220 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccco1 ZINC000649220135 424970651 /nfs/dbraw/zinc/97/06/51/424970651.db2.gz CBFYTBPPKVTMTB-YJNKXOJESA-N 1 3 307.438 2.165 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccco1 ZINC000649220135 424970654 /nfs/dbraw/zinc/97/06/54/424970654.db2.gz CBFYTBPPKVTMTB-YJNKXOJESA-N 1 3 307.438 2.165 20 0 DEADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)CCC(C)(C)[NH3+])C1 ZINC000649342633 424998547 /nfs/dbraw/zinc/99/85/47/424998547.db2.gz FMINUYQDIWSKPS-MRXNPFEDSA-N 1 3 303.450 2.237 20 0 DEADHO C[C@H](CNC(=O)N(C)CCN1CCCCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000650643229 425029613 /nfs/dbraw/zinc/02/96/13/425029613.db2.gz YSSRADQJUXBOSY-DLBZAZTESA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H](CNC(=O)N(C)CCN1CCCCC1)[N@H+]1CCC[C@H](C)C1 ZINC000650643229 425029615 /nfs/dbraw/zinc/02/96/15/425029615.db2.gz YSSRADQJUXBOSY-DLBZAZTESA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H](CNC(=O)N(C)CCN1CCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000650643230 425029869 /nfs/dbraw/zinc/02/98/69/425029869.db2.gz YSSRADQJUXBOSY-IAGOWNOFSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H](CNC(=O)N(C)CCN1CCCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000650643230 425029870 /nfs/dbraw/zinc/02/98/70/425029870.db2.gz YSSRADQJUXBOSY-IAGOWNOFSA-N 1 3 324.513 2.234 20 0 DEADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3cccc4c3OCO4)C2)C1 ZINC000650705849 425038821 /nfs/dbraw/zinc/03/88/21/425038821.db2.gz YKLRBTBLZMEDGL-YSVLISHTSA-N 1 3 318.417 2.134 20 0 DEADHO [NH3+]CC1(CCNCc2cc3c(cc2OC(F)F)OCO3)CC1 ZINC000650712869 425040785 /nfs/dbraw/zinc/04/07/85/425040785.db2.gz YJLYYCWQXJWHSW-UHFFFAOYSA-N 1 3 314.332 2.235 20 0 DEADHO CCCn1cc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cn1 ZINC000650723780 425042837 /nfs/dbraw/zinc/04/28/37/425042837.db2.gz TYOPCHREEXOUJE-GVDBMIGSSA-N 1 3 306.454 2.154 20 0 DEADHO CC[N@H+](CCCN[C@@H](C1CC1)[C@@H]1CNCCO1)C1CCCCC1 ZINC000650741754 425045926 /nfs/dbraw/zinc/04/59/26/425045926.db2.gz KTEPWBVHJDSNKF-OALUTQOASA-N 1 3 323.525 2.388 20 0 DEADHO CC[N@@H+](CCCN[C@@H](C1CC1)[C@@H]1CNCCO1)C1CCCCC1 ZINC000650741754 425045929 /nfs/dbraw/zinc/04/59/29/425045929.db2.gz KTEPWBVHJDSNKF-OALUTQOASA-N 1 3 323.525 2.388 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N(C)CCN2CCCCC2)CC1 ZINC000650810311 425059612 /nfs/dbraw/zinc/05/96/12/425059612.db2.gz MCWHVRWMOKNLQA-UHFFFAOYSA-N 1 3 324.513 2.378 20 0 DEADHO CCCc1ccc2[nH+]ccc(N3CC(N4CC[C@@H](O)C4)C3)c2c1 ZINC000651450085 425135691 /nfs/dbraw/zinc/13/56/91/425135691.db2.gz XEUNZPBBLAHIAQ-MRXNPFEDSA-N 1 3 311.429 2.443 20 0 DEADHO C[C@@H]([NH2+][C@@H](C)C1CCN(C)CC1)C(=O)NCCc1ccccc1 ZINC000651497851 425137433 /nfs/dbraw/zinc/13/74/33/425137433.db2.gz WDZDQPLMDNTIRW-JKSUJKDBSA-N 1 3 317.477 2.054 20 0 DEADHO CCN(C(=O)NCCC[NH+]1CCC(C)CC1)[C@H]1CCN(CC)C1 ZINC000663504615 425174766 /nfs/dbraw/zinc/17/47/66/425174766.db2.gz YXVQGXJTAGKZCL-KRWDZBQOSA-N 1 3 324.513 2.234 20 0 DEADHO CC[N@H+](C)C[C@@H](O)CN[C@@H](CN1CCCCC1)c1ccccc1 ZINC000653612319 425191510 /nfs/dbraw/zinc/19/15/10/425191510.db2.gz KFNDIFDZUBGSMQ-OALUTQOASA-N 1 3 319.493 2.116 20 0 DEADHO CC[N@@H+](C)C[C@@H](O)CN[C@@H](CN1CCCCC1)c1ccccc1 ZINC000653612319 425191513 /nfs/dbraw/zinc/19/15/13/425191513.db2.gz KFNDIFDZUBGSMQ-OALUTQOASA-N 1 3 319.493 2.116 20 0 DEADHO CN(CCN(C)C1CC1)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000666663112 425155090 /nfs/dbraw/zinc/15/50/90/425155090.db2.gz JQIUIXRQZLHBFG-HNNXBMFYSA-N 1 3 322.497 2.129 20 0 DEADHO CN(CCN(C)C1CC1)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000666663112 425155095 /nfs/dbraw/zinc/15/50/95/425155095.db2.gz JQIUIXRQZLHBFG-HNNXBMFYSA-N 1 3 322.497 2.129 20 0 DEADHO CCN(CC)C(=O)C[C@@H](C)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663468559 425165077 /nfs/dbraw/zinc/16/50/77/425165077.db2.gz MCUPQQOICKLNPX-NVXWUHKLSA-N 1 3 309.498 2.345 20 0 DEADHO CCN(CC)C(=O)C[C@@H](C)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468559 425165081 /nfs/dbraw/zinc/16/50/81/425165081.db2.gz MCUPQQOICKLNPX-NVXWUHKLSA-N 1 3 309.498 2.345 20 0 DEADHO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663468559 425165084 /nfs/dbraw/zinc/16/50/84/425165084.db2.gz MCUPQQOICKLNPX-NVXWUHKLSA-N 1 3 309.498 2.345 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N(CC)[C@@H]2CCN(CC)C2)CC1 ZINC000663892094 425260074 /nfs/dbraw/zinc/26/00/74/425260074.db2.gz ISAGIUHQUCRAJD-QGZVFWFLSA-N 1 3 324.513 2.377 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654045148 425275458 /nfs/dbraw/zinc/27/54/58/425275458.db2.gz NHHIOEDAJLZQSK-FZNQNYSPSA-N 1 3 318.465 2.252 20 0 DEADHO CC[N@H+](CCCNC(=O)N1C[C@H](C)NC[C@H]1C)C1CCCCC1 ZINC000652227918 425218124 /nfs/dbraw/zinc/21/81/24/425218124.db2.gz RDSWASWKWDZQAB-JKSUJKDBSA-N 1 3 324.513 2.423 20 0 DEADHO CC[N@@H+](CCCNC(=O)N1C[C@H](C)NC[C@H]1C)C1CCCCC1 ZINC000652227918 425218127 /nfs/dbraw/zinc/21/81/27/425218127.db2.gz RDSWASWKWDZQAB-JKSUJKDBSA-N 1 3 324.513 2.423 20 0 DEADHO CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CCN(C)C1 ZINC000664151970 425316908 /nfs/dbraw/zinc/31/69/08/425316908.db2.gz SMTQJFGNQJIEIP-HUUCEWRRSA-N 1 3 312.502 2.088 20 0 DEADHO CC(C)(C)N1CC[C@H]1CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000661110125 425325872 /nfs/dbraw/zinc/32/58/72/425325872.db2.gz RAJIPVVHKKPGAG-PCKAHOCUSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H](CN(C)CCC[NH+](C)C)Nc1nc2ccc(F)cc2n1C ZINC000664194994 425328453 /nfs/dbraw/zinc/32/84/53/425328453.db2.gz JGAOYCIFOFWHMX-ZDUSSCGKSA-N 1 3 321.444 2.396 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1nc2ccc(F)cc2n1C ZINC000664194994 425328456 /nfs/dbraw/zinc/32/84/56/425328456.db2.gz JGAOYCIFOFWHMX-ZDUSSCGKSA-N 1 3 321.444 2.396 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1nc2ccc(F)cc2n1C ZINC000664194994 425328458 /nfs/dbraw/zinc/32/84/58/425328458.db2.gz JGAOYCIFOFWHMX-ZDUSSCGKSA-N 1 3 321.444 2.396 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000654375237 425336648 /nfs/dbraw/zinc/33/66/48/425336648.db2.gz XSNWPQPYOUMLLA-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654422852 425349639 /nfs/dbraw/zinc/34/96/39/425349639.db2.gz RFDJADPPKXAGCI-XHSDSOJGSA-N 1 3 310.486 2.033 20 0 DEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654422852 425349642 /nfs/dbraw/zinc/34/96/42/425349642.db2.gz RFDJADPPKXAGCI-XHSDSOJGSA-N 1 3 310.486 2.033 20 0 DEADHO CCC[C@@H](C)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000654433946 425352475 /nfs/dbraw/zinc/35/24/75/425352475.db2.gz DJSQECVYSICYQB-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000654451916 425356890 /nfs/dbraw/zinc/35/68/90/425356890.db2.gz KGNZCZLGIFEVKR-HNNXBMFYSA-N 1 3 324.513 2.233 20 0 DEADHO CCC[N@H+](CC)CCNC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654469635 425360792 /nfs/dbraw/zinc/36/07/92/425360792.db2.gz CTLZUHDTEYDRCN-JKSUJKDBSA-N 1 3 310.486 2.034 20 0 DEADHO CCC[N@@H+](CC)CCNC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654469635 425360795 /nfs/dbraw/zinc/36/07/95/425360795.db2.gz CTLZUHDTEYDRCN-JKSUJKDBSA-N 1 3 310.486 2.034 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)[C@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000653106168 425405573 /nfs/dbraw/zinc/40/55/73/425405573.db2.gz WGTUBJIAJLMOEY-ZWKOTPCHSA-N 1 3 317.477 2.358 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000652940496 425363715 /nfs/dbraw/zinc/36/37/15/425363715.db2.gz WMRJSGFLHIDQSL-SZVBFZGTSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000652940496 425363718 /nfs/dbraw/zinc/36/37/18/425363718.db2.gz WMRJSGFLHIDQSL-SZVBFZGTSA-N 1 3 315.461 2.107 20 0 DEADHO Cc1nc2ccccn2c1CN[C@@H](C)CN(C)CCC[NH+](C)C ZINC000657573639 425368702 /nfs/dbraw/zinc/36/87/02/425368702.db2.gz NCYLBSDBLQQACM-HNNXBMFYSA-N 1 3 317.481 2.004 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654566688 425383474 /nfs/dbraw/zinc/38/34/74/425383474.db2.gz LPZOQPIUAAGRHZ-ARFHVFGLSA-N 1 3 310.486 2.031 20 0 DEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654566688 425383477 /nfs/dbraw/zinc/38/34/77/425383477.db2.gz LPZOQPIUAAGRHZ-ARFHVFGLSA-N 1 3 310.486 2.031 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000653176021 425426026 /nfs/dbraw/zinc/42/60/26/425426026.db2.gz IAPHXJQTRQSFLG-NVXWUHKLSA-N 1 3 305.466 2.417 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000653176021 425426029 /nfs/dbraw/zinc/42/60/29/425426029.db2.gz IAPHXJQTRQSFLG-NVXWUHKLSA-N 1 3 305.466 2.417 20 0 DEADHO CN(CC1([NH+](C)C)CCC1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654733492 425428327 /nfs/dbraw/zinc/42/83/27/425428327.db2.gz XDCLPLFRHYMEFV-JKSUJKDBSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)CN(CCN(C)C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000654733513 425429325 /nfs/dbraw/zinc/42/93/25/425429325.db2.gz XWCPPSRBZFMLQZ-UHFFFAOYSA-N 1 3 319.493 2.451 20 0 DEADHO CC[N@H+](CCCNC(=O)[C@@H](N)CC(F)F)C1CCCCC1 ZINC000653200362 425431930 /nfs/dbraw/zinc/43/19/30/425431930.db2.gz BOXVHYISPVYDEK-ZDUSSCGKSA-N 1 3 305.413 2.130 20 0 DEADHO CC[N@@H+](CCCNC(=O)[C@@H](N)CC(F)F)C1CCCCC1 ZINC000653200362 425431934 /nfs/dbraw/zinc/43/19/34/425431934.db2.gz BOXVHYISPVYDEK-ZDUSSCGKSA-N 1 3 305.413 2.130 20 0 DEADHO CC(C)(C)N1CC[C@H]([NH2+]C2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000658095726 425437907 /nfs/dbraw/zinc/43/79/07/425437907.db2.gz KPDSQFFALXCOCH-IRXDYDNUSA-N 1 3 309.498 2.092 20 0 DEADHO C[C@@H]([NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)C1(CO)CC1 ZINC000658159922 425447815 /nfs/dbraw/zinc/44/78/15/425447815.db2.gz MALRLYKLHMVGNK-LSDHHAIUSA-N 1 3 306.450 2.439 20 0 DEADHO O=C1Nc2ccccc2C12CCC([NH2+]CC13CC(C1)CN3)CC2 ZINC000665277147 425534724 /nfs/dbraw/zinc/53/47/24/425534724.db2.gz UVMQPEZJPIPXAK-UHFFFAOYSA-N 1 3 311.429 2.161 20 0 DEADHO C[NH2+]CCCC(=O)N1CCC(N[C@@H](C)c2ccccc2F)CC1 ZINC000665285181 425535161 /nfs/dbraw/zinc/53/51/61/425535161.db2.gz FZFOTKVPUBJQSP-AWEZNQCLSA-N 1 3 321.440 2.467 20 0 DEADHO C[C@@H]([NH3+])C[C@@H](C)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1 ZINC000665289359 425537504 /nfs/dbraw/zinc/53/75/04/425537504.db2.gz MHIOLQGFDUHKEM-MUIFIZLQSA-N 1 3 303.450 2.443 20 0 DEADHO C[C@@H](N)C[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1 ZINC000665289359 425537506 /nfs/dbraw/zinc/53/75/06/425537506.db2.gz MHIOLQGFDUHKEM-MUIFIZLQSA-N 1 3 303.450 2.443 20 0 DEADHO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000655090709 425497383 /nfs/dbraw/zinc/49/73/83/425497383.db2.gz BNZAXQLEZRTSII-JKSUJKDBSA-N 1 3 307.482 2.194 20 0 DEADHO CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000665358691 425551468 /nfs/dbraw/zinc/55/14/68/425551468.db2.gz NFDMBULGVJXFHN-OAHLLOKOSA-N 1 3 312.502 2.233 20 0 DEADHO C[NH+](C)CCOc1cccc(NC(=O)C2(N)CC3(CCC3)C2)c1 ZINC000659285862 425568379 /nfs/dbraw/zinc/56/83/79/425568379.db2.gz SKHUCAOJNCKVMY-UHFFFAOYSA-N 1 3 317.433 2.227 20 0 DEADHO Cc1ccc(NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)c(CN(C)C)c1 ZINC000655448352 425570216 /nfs/dbraw/zinc/57/02/16/425570216.db2.gz GCSAKVDJYUJAKO-MAUKXSAKSA-N 1 3 301.434 2.385 20 0 DEADHO C[C@@H]1C[C@H](C)N(C(=O)C[C@H]2NCc3ccccc32)C[C@H]1C[NH3+] ZINC000659326840 425578482 /nfs/dbraw/zinc/57/84/82/425578482.db2.gz ZCSCWPAJESSPBR-IARIHHJXSA-N 1 3 301.434 2.053 20 0 DEADHO COc1ccccc1C[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662254158 425602301 /nfs/dbraw/zinc/60/23/01/425602301.db2.gz MOWBJUOVYIVWDR-SJORKVTESA-N 1 3 316.445 2.223 20 0 DEADHO COc1ccccc1C[C@H]1CCC[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662254158 425602302 /nfs/dbraw/zinc/60/23/02/425602302.db2.gz MOWBJUOVYIVWDR-SJORKVTESA-N 1 3 316.445 2.223 20 0 DEADHO C([C@H]1CCC2(CNC2)O1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000662259833 425603497 /nfs/dbraw/zinc/60/34/97/425603497.db2.gz BWGCCGKIBDPEGB-GOSISDBHSA-N 1 3 321.509 2.095 20 0 DEADHO C([C@H]1CCC2(CNC2)O1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000662259833 425603500 /nfs/dbraw/zinc/60/35/00/425603500.db2.gz BWGCCGKIBDPEGB-GOSISDBHSA-N 1 3 321.509 2.095 20 0 DEADHO CCCNC(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000189948707 267697555 /nfs/dbraw/zinc/69/75/55/267697555.db2.gz QJAJNKUXNJZQDC-HOTGVXAUSA-N 1 3 317.477 2.259 20 0 DEADHO C[C@@H](CNC(=O)c1cccc2c1CNC2)[NH+]1CCC(C)CC1 ZINC000662418642 425645991 /nfs/dbraw/zinc/64/59/91/425645991.db2.gz WQOMGFOTPXDPMH-AWEZNQCLSA-N 1 3 301.434 2.140 20 0 DEADHO CO[C@@](C)(CO)CNCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000655808351 425660846 /nfs/dbraw/zinc/66/08/46/425660846.db2.gz XZQFBDFNTVAMLW-GOSISDBHSA-N 1 3 308.466 2.132 20 0 DEADHO CO[C@@](C)(CO)CNCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000655808351 425660848 /nfs/dbraw/zinc/66/08/48/425660848.db2.gz XZQFBDFNTVAMLW-GOSISDBHSA-N 1 3 308.466 2.132 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000662492473 425665551 /nfs/dbraw/zinc/66/55/51/425665551.db2.gz LLJGFRXIRSPXGZ-UAGQMJEPSA-N 1 3 303.450 2.154 20 0 DEADHO CC(=O)c1nc(CCN2CCC(CC[NH+](C)C)CC2)[nH]c1C ZINC000659853119 425669535 /nfs/dbraw/zinc/66/95/35/425669535.db2.gz RUHYNSGKUAWRAU-UHFFFAOYSA-N 1 3 306.454 2.127 20 0 DEADHO CC(=O)c1[nH]c(CCN2CCC(CC[NH+](C)C)CC2)nc1C ZINC000659853119 425669537 /nfs/dbraw/zinc/66/95/37/425669537.db2.gz RUHYNSGKUAWRAU-UHFFFAOYSA-N 1 3 306.454 2.127 20 0 DEADHO C[C@@H]([NH2+]C[C@H]1CCC2(CNC2)O1)c1ccc(OC(F)F)cc1 ZINC000662281772 425612443 /nfs/dbraw/zinc/61/24/43/425612443.db2.gz LZVVNPQEAHDFKI-BXUZGUMPSA-N 1 3 312.360 2.460 20 0 DEADHO OCC1([NH2+]CCSc2ccc(Cl)cc2)CCNCC1 ZINC000662287179 425614025 /nfs/dbraw/zinc/61/40/25/425614025.db2.gz SDGOLWBZZAXFBC-UHFFFAOYSA-N 1 3 300.855 2.136 20 0 DEADHO CN(C(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1)C1CCCCC1 ZINC000662294297 425615403 /nfs/dbraw/zinc/61/54/03/425615403.db2.gz KTDACMFWEIYXHN-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCC[C@@H](C3CC[NH2+]CC3)C2)C1 ZINC000662294116 425616573 /nfs/dbraw/zinc/61/65/73/425616573.db2.gz JDTSXFCGLNSGHP-JFIYKMOQSA-N 1 3 321.509 2.203 20 0 DEADHO Cc1nccn1CCCCN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325032 425625498 /nfs/dbraw/zinc/62/54/98/425625498.db2.gz HAHMCDPXNKGTFB-QGZVFWFLSA-N 1 3 308.470 2.014 20 0 DEADHO CC(C)(C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)N1CCCCC1 ZINC000655683285 425628540 /nfs/dbraw/zinc/62/85/40/425628540.db2.gz CWWUESCVVFCMLB-SFHVURJKSA-N 1 3 323.525 2.484 20 0 DEADHO C[C@H](C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)CN1CCCCC1 ZINC000655696676 425631937 /nfs/dbraw/zinc/63/19/37/425631937.db2.gz IUFYJOINRANPIV-MJGOQNOKSA-N 1 3 323.525 2.341 20 0 DEADHO C[C@H](C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)N1CCC(C)CC1 ZINC000655703235 425633126 /nfs/dbraw/zinc/63/31/26/425633126.db2.gz NVEOMVNRQKHIJI-IEBWSBKVSA-N 1 3 323.525 2.340 20 0 DEADHO CCCN1CC[C@H](NC(=O)N(CCC[NH3+])CC2CCCC2)C1 ZINC000659609797 425636573 /nfs/dbraw/zinc/63/65/73/425636573.db2.gz LVYWCLFPHGMBAU-INIZCTEOSA-N 1 3 310.486 2.021 20 0 DEADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+]C(C)C)CC1 ZINC000662390695 425640369 /nfs/dbraw/zinc/64/03/69/425640369.db2.gz NPUNSVUFWDSXLP-UHFFFAOYSA-N 1 3 303.450 2.074 20 0 DEADHO CC[C@@](C)(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1CC1 ZINC000665763448 425641610 /nfs/dbraw/zinc/64/16/10/425641610.db2.gz AZQZLCVTHSBRER-WMLDXEAASA-N 1 3 312.502 2.136 20 0 DEADHO CC[C@@](C)(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1CC1 ZINC000665763448 425641612 /nfs/dbraw/zinc/64/16/12/425641612.db2.gz AZQZLCVTHSBRER-WMLDXEAASA-N 1 3 312.502 2.136 20 0 DEADHO CCc1[nH+]c2ccccc2c(N2CCN3C[C@H](O)C[C@H]3C2)c1C ZINC000656219038 425736011 /nfs/dbraw/zinc/73/60/11/425736011.db2.gz KPNIHHFQAHVTOK-LSDHHAIUSA-N 1 3 311.429 2.361 20 0 DEADHO CCc1nc2ccccc2c(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1C ZINC000656219038 425736012 /nfs/dbraw/zinc/73/60/12/425736012.db2.gz KPNIHHFQAHVTOK-LSDHHAIUSA-N 1 3 311.429 2.361 20 0 DEADHO CCc1nc2ccccc2c(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1C ZINC000656219038 425736014 /nfs/dbraw/zinc/73/60/14/425736014.db2.gz KPNIHHFQAHVTOK-LSDHHAIUSA-N 1 3 311.429 2.361 20 0 DEADHO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)C1(NC2CC2)CCC1 ZINC000662813897 425741952 /nfs/dbraw/zinc/74/19/52/425741952.db2.gz DLEPDTRTXAMNNB-UHFFFAOYSA-N 1 3 320.462 2.223 20 0 DEADHO CN(CC(C)(C)[NH3+])C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000662605308 425691421 /nfs/dbraw/zinc/69/14/21/425691421.db2.gz MNMZNQUJIAXWOK-HNNXBMFYSA-N 1 3 321.440 2.233 20 0 DEADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000655966967 425695806 /nfs/dbraw/zinc/69/58/06/425695806.db2.gz JCLKGKQQMWUJAP-QAETUUGQSA-N 1 3 322.497 2.068 20 0 DEADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1CNCc2ccccc21 ZINC000662695269 425714000 /nfs/dbraw/zinc/71/40/00/425714000.db2.gz YTJHTUGEQPMACP-CRAIPNDOSA-N 1 3 315.461 2.110 20 0 DEADHO O=C(N1CCC[N@@H+](C2CCCC2)CC1)C1(NC2CC2)CCC1 ZINC000662705947 425719310 /nfs/dbraw/zinc/71/93/10/425719310.db2.gz WKNHUCHUUCOLDH-UHFFFAOYSA-N 1 3 305.466 2.138 20 0 DEADHO O=C(N1CCC[N@H+](C2CCCC2)CC1)C1(NC2CC2)CCC1 ZINC000662705947 425719314 /nfs/dbraw/zinc/71/93/14/425719314.db2.gz WKNHUCHUUCOLDH-UHFFFAOYSA-N 1 3 305.466 2.138 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1)N(C)C ZINC000666243156 425723567 /nfs/dbraw/zinc/72/35/67/425723567.db2.gz CFBSASHSOPWNFI-SJLPKXTDSA-N 1 3 317.477 2.007 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)N(C)C ZINC000666243156 425723570 /nfs/dbraw/zinc/72/35/70/425723570.db2.gz CFBSASHSOPWNFI-SJLPKXTDSA-N 1 3 317.477 2.007 20 0 DEADHO C[C@@H](CNC(=O)[C@H]1[NH2+]CCC1(C)C)N(C)Cc1ccccc1 ZINC000662730760 425723640 /nfs/dbraw/zinc/72/36/40/425723640.db2.gz OTEJPPYIYVUCRT-GOEBONIOSA-N 1 3 303.450 2.011 20 0 DEADHO C[C@@H]1CCN(CCNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)C1 ZINC000662744676 425726607 /nfs/dbraw/zinc/72/66/07/425726607.db2.gz COBWYFCPEAHTFQ-PBHICJAKSA-N 1 3 315.461 2.137 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc3c2CNC3)[C@@H](C)C1 ZINC000662745330 425728669 /nfs/dbraw/zinc/72/86/69/425728669.db2.gz KLHYWFCGECDCTQ-GUYCJALGSA-N 1 3 301.434 2.092 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc3c2CNC3)[C@@H](C)C1 ZINC000662745330 425728673 /nfs/dbraw/zinc/72/86/73/425728673.db2.gz KLHYWFCGECDCTQ-GUYCJALGSA-N 1 3 301.434 2.092 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc3c2CCNC3)C1 ZINC000662748117 425728964 /nfs/dbraw/zinc/72/89/64/425728964.db2.gz LWUPDGANJUBMTN-HNNXBMFYSA-N 1 3 315.461 2.136 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc3c2CCNC3)C1 ZINC000662748117 425728967 /nfs/dbraw/zinc/72/89/67/425728967.db2.gz LWUPDGANJUBMTN-HNNXBMFYSA-N 1 3 315.461 2.136 20 0 DEADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200641 425730202 /nfs/dbraw/zinc/73/02/02/425730202.db2.gz SSPMNXUSAFKZTG-ZBLLQYKHSA-N 1 3 323.525 2.385 20 0 DEADHO COc1cc(OC)cc(OCCC[NH2+][C@@H]2CCC[C@H](N)C2)c1 ZINC000656197904 425730252 /nfs/dbraw/zinc/73/02/52/425730252.db2.gz OYMLFFDAVCDOPN-UONOGXRCSA-N 1 3 308.422 2.332 20 0 DEADHO COc1cc(OC)cc(OCCCN[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000656197904 425730256 /nfs/dbraw/zinc/73/02/56/425730256.db2.gz OYMLFFDAVCDOPN-UONOGXRCSA-N 1 3 308.422 2.332 20 0 DEADHO CC1(C)CCCN[C@@H]1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000662971055 425769363 /nfs/dbraw/zinc/76/93/63/425769363.db2.gz BDUVHGZSFAHYEA-MRXNPFEDSA-N 1 3 307.482 2.003 20 0 DEADHO CC[C@H](C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)N(CC)CC ZINC000662845405 425748669 /nfs/dbraw/zinc/74/86/69/425748669.db2.gz HZSQEWWJZLJELP-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662846741 425749499 /nfs/dbraw/zinc/74/94/99/425749499.db2.gz ULWPBHBNFWCRDH-INMHGKMJSA-N 1 3 307.482 2.097 20 0 DEADHO C[N@H+](CCNC(=O)C[C@H](N)c1ccccc1)C1CCCCC1 ZINC000237143211 268593026 /nfs/dbraw/zinc/59/30/26/268593026.db2.gz URRUZIKGNOWIEF-KRWDZBQOSA-N 1 3 303.450 2.457 20 0 DEADHO C[N@@H+](CCNC(=O)C[C@H](N)c1ccccc1)C1CCCCC1 ZINC000237143211 268593028 /nfs/dbraw/zinc/59/30/28/268593028.db2.gz URRUZIKGNOWIEF-KRWDZBQOSA-N 1 3 303.450 2.457 20 0 DEADHO OC1(C[NH2+][C@@H]2CCCSC2)CCN(Cc2ccccc2)CC1 ZINC000397502431 269106976 /nfs/dbraw/zinc/10/69/76/269106976.db2.gz GDXGMKNLFXFQJR-QGZVFWFLSA-N 1 3 320.502 2.499 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)CN1Cc1ccccc1 ZINC000398067230 269108491 /nfs/dbraw/zinc/10/84/91/269108491.db2.gz NZUQGGRWWUKNCP-LMSBXDPUSA-N 1 3 315.461 2.154 20 0 DEADHO CO[C@@H]1CCC[C@H]1N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423148636 269116051 /nfs/dbraw/zinc/11/60/51/269116051.db2.gz GIJDVFXDKRHMSI-AHCXZYCDSA-N 1 3 302.418 2.399 20 0 DEADHO NC(=O)OC[C@H](Cc1ccccc1)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000496327010 269212277 /nfs/dbraw/zinc/21/22/77/269212277.db2.gz NBLMRPGWCFLIGR-JYJNAYRXSA-N 1 3 305.422 2.214 20 0 DEADHO C[C@H]1CC[N@H+](CC2(CN)CC2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000497151911 269291092 /nfs/dbraw/zinc/29/10/92/269291092.db2.gz VBWXRADRVOCWDD-KBPBESRZSA-N 1 3 311.470 2.208 20 0 DEADHO C[C@H]1CC[N@@H+](CC2(CN)CC2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000497151911 269291094 /nfs/dbraw/zinc/29/10/94/269291094.db2.gz VBWXRADRVOCWDD-KBPBESRZSA-N 1 3 311.470 2.208 20 0 DEADHO C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000515634618 269352514 /nfs/dbraw/zinc/35/25/14/269352514.db2.gz UOXLARXGMKOEDP-OAUYIBNBSA-N 1 3 322.474 2.129 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H]1CN1CCC(N2CCOC[C@@H]2C)CC1 ZINC000517957160 269394968 /nfs/dbraw/zinc/39/49/68/269394968.db2.gz NPLAJCSWKBUKLN-HKUYNNGSSA-N 1 3 323.525 2.434 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H]1CN1CCC(N2CCOC[C@@H]2C)CC1 ZINC000517957160 269394970 /nfs/dbraw/zinc/39/49/70/269394970.db2.gz NPLAJCSWKBUKLN-HKUYNNGSSA-N 1 3 323.525 2.434 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCCc3nc(C)sc32)CC1 ZINC000155700581 273663453 /nfs/dbraw/zinc/66/34/53/273663453.db2.gz MLIYKQVBNXOLOM-DZGCQCFKSA-N 1 3 322.522 2.445 20 0 DEADHO CC1CCC(N2CCN(C(=O)NC3CCC([NH3+])CC3)CC2)CC1 ZINC000418399457 275929787 /nfs/dbraw/zinc/92/97/87/275929787.db2.gz KYYMKIRNSJBMLT-UHFFFAOYSA-N 1 3 322.497 2.162 20 0 DEADHO CCN(CC)C(=O)CCCN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422954734 276088976 /nfs/dbraw/zinc/08/89/76/276088976.db2.gz IECOQGCVEKEGBQ-NVXWUHKLSA-N 1 3 305.466 2.183 20 0 DEADHO CCCC[C@@H]([NH3+])C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000236730703 276240582 /nfs/dbraw/zinc/24/05/82/276240582.db2.gz WQNHPGNQKMFXPX-WMLDXEAASA-N 1 3 318.465 2.241 20 0 DEADHO CC[N@H+](C)CCNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000338460351 276305048 /nfs/dbraw/zinc/30/50/48/276305048.db2.gz FGZNGKZMCZOPHU-NVXWUHKLSA-N 1 3 318.465 2.073 20 0 DEADHO CC[N@@H+](C)CCNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000338460351 276305050 /nfs/dbraw/zinc/30/50/50/276305050.db2.gz FGZNGKZMCZOPHU-NVXWUHKLSA-N 1 3 318.465 2.073 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000439972316 276364079 /nfs/dbraw/zinc/36/40/79/276364079.db2.gz NSPNUMOTPHCLLV-IAGOWNOFSA-N 1 3 307.482 2.384 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000439972316 276364081 /nfs/dbraw/zinc/36/40/81/276364081.db2.gz NSPNUMOTPHCLLV-IAGOWNOFSA-N 1 3 307.482 2.384 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415995791 276376853 /nfs/dbraw/zinc/37/68/53/276376853.db2.gz LQJQOUHPUXFRSO-INIZCTEOSA-N 1 3 302.422 2.238 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415995791 276376854 /nfs/dbraw/zinc/37/68/54/276376854.db2.gz LQJQOUHPUXFRSO-INIZCTEOSA-N 1 3 302.422 2.238 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418650574 276695301 /nfs/dbraw/zinc/69/53/01/276695301.db2.gz KNAKXAFYNDFFPT-RDJZCZTQSA-N 1 3 318.465 2.080 20 0 DEADHO CN1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000351597637 277044397 /nfs/dbraw/zinc/04/43/97/277044397.db2.gz QSMWTGSGRLHWRG-JKSUJKDBSA-N 1 3 317.481 2.278 20 0 DEADHO CN1CCCC[C@@H]1CC[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000351597637 277044398 /nfs/dbraw/zinc/04/43/98/277044398.db2.gz QSMWTGSGRLHWRG-JKSUJKDBSA-N 1 3 317.481 2.278 20 0 DEADHO C[NH2+]CCc1ccccc1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000261950388 277272775 /nfs/dbraw/zinc/27/27/75/277272775.db2.gz WEDYZYJJNCWUKJ-QGZVFWFLSA-N 1 3 315.461 2.149 20 0 DEADHO C[NH2+][C@H](C)CNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000261725562 277298446 /nfs/dbraw/zinc/29/84/46/277298446.db2.gz LDOXAIRQEPKISL-CVEARBPZSA-N 1 3 317.477 2.054 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(C)CC[C@@H]1C ZINC000440188226 277388116 /nfs/dbraw/zinc/38/81/16/277388116.db2.gz OULMGTOQOSERCJ-IRXDYDNUSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(C)CC[C@@H]1C ZINC000440188226 277388118 /nfs/dbraw/zinc/38/81/18/277388118.db2.gz OULMGTOQOSERCJ-IRXDYDNUSA-N 1 3 324.513 2.233 20 0 DEADHO CSc1ccc([C@H](CNC(=O)NCC[C@H](C)[NH3+])N(C)C)cc1 ZINC000418230527 277533118 /nfs/dbraw/zinc/53/31/18/277533118.db2.gz JMXAKBZJXVMBOD-WFASDCNBSA-N 1 3 324.494 2.048 20 0 DEADHO CC(=O)NCCc1ccc([C@H](C)[NH2+][C@@H]2CCCN[C@H]2C)cc1 ZINC000423385521 278118319 /nfs/dbraw/zinc/11/83/19/278118319.db2.gz QWTKIGAIIMIAHV-SUNYJGFJSA-N 1 3 303.450 2.156 20 0 DEADHO C[C@H](CC[NH+](C)C)NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000287229912 278170471 /nfs/dbraw/zinc/17/04/71/278170471.db2.gz NWPDFEPXRBEXFI-CJNGLKHVSA-N 1 3 324.444 2.068 20 0 DEADHO CC(C)(C)CCCN1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420411165 278313476 /nfs/dbraw/zinc/31/34/76/278313476.db2.gz XHSHVJLKOOFXMZ-JKSUJKDBSA-N 1 3 322.497 2.033 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418586615 278315013 /nfs/dbraw/zinc/31/50/13/278315013.db2.gz QJJHFQYIQLRQPQ-GJZGRUSLSA-N 1 3 310.486 2.020 20 0 DEADHO C[C@@H]1CC[C@@H]([NH2+]CC(=O)NCCN2CCCCCC2)[C@@H](C)C1 ZINC000353668838 278587495 /nfs/dbraw/zinc/58/74/95/278587495.db2.gz BAPJUYJDFKRXMQ-IXDOHACOSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361496746 288074953 /nfs/dbraw/zinc/07/49/53/288074953.db2.gz MVIKYEXWWLADJU-RYRKJORJSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361496746 288074955 /nfs/dbraw/zinc/07/49/55/288074955.db2.gz MVIKYEXWWLADJU-RYRKJORJSA-N 1 3 321.509 2.440 20 0 DEADHO CCCN1CCN(c2ccccc2CNC[C@@H]([NH3+])C(C)C)CC1 ZINC000414794104 278825524 /nfs/dbraw/zinc/82/55/24/278825524.db2.gz LJEZGVJDMGEXHK-GOSISDBHSA-N 1 3 318.509 2.292 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000344869834 279271205 /nfs/dbraw/zinc/27/12/05/279271205.db2.gz DERXANAIPURONS-BBWFWOEESA-N 1 3 322.497 2.129 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247204734 279276537 /nfs/dbraw/zinc/27/65/37/279276537.db2.gz WNVFFTDOUJAWNE-SJORKVTESA-N 1 3 307.482 2.338 20 0 DEADHO CC(C)N(C(=O)CN1CCC2(CC[NH2+]C2)CC1)C1CCCC1 ZINC000431030604 279277262 /nfs/dbraw/zinc/27/72/62/279277262.db2.gz OZYUISZQUOMETJ-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H](CO)N(C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000289393748 279356999 /nfs/dbraw/zinc/35/69/99/279356999.db2.gz FIEJMQFHALTJDN-OAHLLOKOSA-N 1 3 305.466 2.030 20 0 DEADHO C[C@H]([NH2+]C1CCN(c2nc3ccccc3s2)CC1)C1CNC1 ZINC000422936682 279457644 /nfs/dbraw/zinc/45/76/44/279457644.db2.gz FPIOXFGHTKGAEY-LBPRGKRZSA-N 1 3 316.474 2.463 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000423724979 279683573 /nfs/dbraw/zinc/68/35/73/279683573.db2.gz SBXPXQXLWHIEHB-YESZJQIVSA-N 1 3 307.482 2.132 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCCCC1 ZINC000462897313 279795193 /nfs/dbraw/zinc/79/51/93/279795193.db2.gz WZEZFQLGSODEIU-BBWFWOEESA-N 1 3 307.482 2.001 20 0 DEADHO O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@H](N2CCCC2)C1 ZINC000372968134 280082744 /nfs/dbraw/zinc/08/27/44/280082744.db2.gz XVTGYAJWBXMLAL-ROUUACIJSA-N 1 3 319.493 2.480 20 0 DEADHO O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CC[C@H](N2CCCC2)C1 ZINC000372968134 280082748 /nfs/dbraw/zinc/08/27/48/280082748.db2.gz XVTGYAJWBXMLAL-ROUUACIJSA-N 1 3 319.493 2.480 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420902702 288196941 /nfs/dbraw/zinc/19/69/41/288196941.db2.gz AFTAEMZOCBEVJB-CGZBRXJRSA-N 1 3 324.513 2.423 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000113597925 288196974 /nfs/dbraw/zinc/19/69/74/288196974.db2.gz HBNMFBYZGOCQMO-SJORKVTESA-N 1 3 324.513 2.282 20 0 DEADHO CC(C)[C@H](CNC(=O)N[C@H](C)CN(C)C)[NH+]1CCCCCC1 ZINC000350255748 280247937 /nfs/dbraw/zinc/24/79/37/280247937.db2.gz TXKUURKTYRFFLU-CVEARBPZSA-N 1 3 312.502 2.136 20 0 DEADHO CN1CCC(Nc2ccccc2NC(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC000130627953 281944109 /nfs/dbraw/zinc/94/41/09/281944109.db2.gz SRTUNUOWQYXBMQ-AWEZNQCLSA-N 1 3 316.449 2.131 20 0 DEADHO CN(C)C1(C[NH2+][C@H]2CCCCC[C@H]2N)Cc2ccccc2C1 ZINC000422776120 282046019 /nfs/dbraw/zinc/04/60/19/282046019.db2.gz DBQRVLFDGGNJLS-MSOLQXFVSA-N 1 3 301.478 2.335 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)N(C)C)cc1 ZINC000423299904 288562549 /nfs/dbraw/zinc/56/25/49/288562549.db2.gz CPVNXNOHMNDMEQ-WBAXXEDZSA-N 1 3 317.477 2.356 20 0 DEADHO CN(C)C(=O)[C@H](c1ccccc1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420334997 289015897 /nfs/dbraw/zinc/01/58/97/289015897.db2.gz HAMSAZDKBOHTJD-ROUUACIJSA-N 1 3 315.461 2.280 20 0 DEADHO C[C@H](C(=O)N1CCCCCC1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261958429 289266061 /nfs/dbraw/zinc/26/60/61/289266061.db2.gz OHWJGVGSWSTAAC-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000489809217 289300059 /nfs/dbraw/zinc/30/00/59/289300059.db2.gz VDCFBQDPXYICCK-BRWVUGGUSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000359294164 289580437 /nfs/dbraw/zinc/58/04/37/289580437.db2.gz BEDQNXIITVPRGV-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1CCCC[C@H]1N1CCC([NH2+][C@@H]2CC[C@H](C(N)=O)C2)CC1 ZINC000449746325 290412972 /nfs/dbraw/zinc/41/29/72/290412972.db2.gz RHYHBXVRFKIMFD-XJNFMUPTSA-N 1 3 307.482 2.273 20 0 DEADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000420314550 295212024 /nfs/dbraw/zinc/21/20/24/295212024.db2.gz KIZBKMLFTBFPMP-MAUKXSAKSA-N 1 3 314.433 2.308 20 0 DEADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000420314550 295212026 /nfs/dbraw/zinc/21/20/26/295212026.db2.gz KIZBKMLFTBFPMP-MAUKXSAKSA-N 1 3 314.433 2.308 20 0 DEADHO COc1ccc([C@H](C)[NH2+]CC2(O)CCN(C)CC2)c(C)c1OC ZINC000286334260 295236586 /nfs/dbraw/zinc/23/65/86/295236586.db2.gz YAGQTPSJCGOVDX-AWEZNQCLSA-N 1 3 322.449 2.120 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1cccc(CN2CCCC2=O)c1 ZINC000422956095 295257208 /nfs/dbraw/zinc/25/72/08/295257208.db2.gz KOKRZZJXVNDKIK-DLBZAZTESA-N 1 3 301.434 2.026 20 0 DEADHO NC(C(=O)NCC1([NH+]2CCCCC2)CCCCC1)C(F)(F)F ZINC000353188044 295292417 /nfs/dbraw/zinc/29/24/17/295292417.db2.gz LLSOPGLJPBJBMF-LBPRGKRZSA-N 1 3 321.387 2.181 20 0 DEADHO [NH3+][C@H]1CCC[C@H](NC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000332524910 295337913 /nfs/dbraw/zinc/33/79/13/295337913.db2.gz BORLJHJICGWFCS-IRXDYDNUSA-N 1 3 322.497 2.164 20 0 DEADHO C[C@H](C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C)N1[C@H](C)CC[C@@H]1C ZINC000342750389 298096519 /nfs/dbraw/zinc/09/65/19/298096519.db2.gz BKCXBNIANGDKTQ-JJTUDDRGSA-N 1 3 307.482 2.333 20 0 DEADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000248761561 300218915 /nfs/dbraw/zinc/21/89/15/300218915.db2.gz YEEAONLDJJBEMY-JKSUJKDBSA-N 1 3 324.513 2.090 20 0 DEADHO CN(C)CCNC(=O)C1CC[NH+](CCCC2CCCC2)CC1 ZINC000176959677 325751161 /nfs/dbraw/zinc/75/11/61/325751161.db2.gz MVARZCCWOFCZNG-UHFFFAOYSA-N 1 3 309.498 2.347 20 0 DEADHO CN(C)[C@H](CNC(=O)[C@H]1C[NH2+]Cc2ccccc21)c1ccccc1 ZINC000325673169 325756210 /nfs/dbraw/zinc/75/62/10/325756210.db2.gz MGJRTPIJNSCRPL-RBUKOAKNSA-N 1 3 323.440 2.293 20 0 DEADHO COC1([C@H](C)[NH2+]CCCCN2CCN(C)CC2)CCCCC1 ZINC000567629064 325833110 /nfs/dbraw/zinc/83/31/10/325833110.db2.gz OUQPELOHIVOSLY-KRWDZBQOSA-N 1 3 311.514 2.341 20 0 DEADHO Cc1cnc(CCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000567646842 325835447 /nfs/dbraw/zinc/83/54/47/325835447.db2.gz DPLXOXJZEYNFOP-VQIMIIECSA-N 1 3 324.428 2.173 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](NCCOc2ccc(C(F)(F)F)cn2)C1 ZINC000573020897 326012499 /nfs/dbraw/zinc/01/24/99/326012499.db2.gz YYNNSRRWYXGROE-VXGBXAGGSA-N 1 3 303.328 2.339 20 0 DEADHO C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CNCc3ccccc32)cc1 ZINC000573202230 326032028 /nfs/dbraw/zinc/03/20/28/326032028.db2.gz QZJFPQJGDQOJBO-IBGZPJMESA-N 1 3 323.440 2.251 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H]2CC[NH2+][C@H]2C)N2CCCC2)cc1 ZINC000573320885 326045167 /nfs/dbraw/zinc/04/51/67/326045167.db2.gz PMZNFMGKLQMVNH-SZMVWBNQSA-N 1 3 315.461 2.246 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](N)Cc2ccccc2)C1 ZINC000574449832 326155456 /nfs/dbraw/zinc/15/54/56/326155456.db2.gz CIQBAQRDHJAELB-ROUUACIJSA-N 1 3 317.477 2.137 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](N)Cc2ccccc2)C1 ZINC000574449832 326155458 /nfs/dbraw/zinc/15/54/58/326155458.db2.gz CIQBAQRDHJAELB-ROUUACIJSA-N 1 3 317.477 2.137 20 0 DEADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CNCc2ccccc21 ZINC000584466550 337347111 /nfs/dbraw/zinc/34/71/11/337347111.db2.gz BDONUPXFWASECX-IIDMSEBBSA-N 1 3 315.461 2.110 20 0 DEADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CNCc2ccccc21 ZINC000584466550 337347112 /nfs/dbraw/zinc/34/71/12/337347112.db2.gz BDONUPXFWASECX-IIDMSEBBSA-N 1 3 315.461 2.110 20 0 DEADHO Cc1cnc(CCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000584523845 337355305 /nfs/dbraw/zinc/35/53/05/337355305.db2.gz AWOKTRLZAWNSLP-IEBWSBKVSA-N 1 3 324.428 2.173 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1Cc1cccc(F)c1 ZINC001089038248 782128432 /nfs/dbraw/zinc/12/84/32/782128432.db2.gz LDSVEVAVVRLBPH-PBHICJAKSA-N 1 3 319.424 2.001 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)CN2CCCC2)CC[N@@H+]1Cc1cccc(F)c1 ZINC001089038248 782128436 /nfs/dbraw/zinc/12/84/36/782128436.db2.gz LDSVEVAVVRLBPH-PBHICJAKSA-N 1 3 319.424 2.001 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)CN2CCCC2)CC[N@H+]1Cc1cccc(F)c1 ZINC001089038248 782128439 /nfs/dbraw/zinc/12/84/39/782128439.db2.gz LDSVEVAVVRLBPH-PBHICJAKSA-N 1 3 319.424 2.001 20 0 DEADHO CC[C@@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1ccccc1C ZINC001378291572 1152276377 /nfs/dbraw/zinc/27/63/77/1152276377.db2.gz AQACATVTIDTNOL-IRXDYDNUSA-N 1 3 305.466 2.320 20 0 DEADHO CC(C)C[NH2+][C@@H](CCN(C)C(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001378371243 1152308130 /nfs/dbraw/zinc/30/81/30/1152308130.db2.gz AWUYLXLBEPXWHK-SJORKVTESA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)[C@H](CCN(C)C(=O)[C@H]1CCCN1C)[NH2+]C/C=C\Cl ZINC001378383472 1152312184 /nfs/dbraw/zinc/31/21/84/1152312184.db2.gz UCMIWOUJEQTBRP-XDHNQJSPSA-N 1 3 315.889 2.296 20 0 DEADHO C[NH+](C)CCC(=O)NC1(CNCc2ccns2)CCCCC1 ZINC001378400374 1152317830 /nfs/dbraw/zinc/31/78/30/1152317830.db2.gz KACIIAZCFSBSIP-UHFFFAOYSA-N 1 3 324.494 2.004 20 0 DEADHO CCC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)CC1CCCC1 ZINC001377496067 1160430283 /nfs/dbraw/zinc/43/02/83/1160430283.db2.gz JONAMTIRSRVAPK-MRXNPFEDSA-N 1 3 309.498 2.347 20 0 DEADHO CCC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)CC1CCCC1 ZINC001377496067 1160430287 /nfs/dbraw/zinc/43/02/87/1160430287.db2.gz JONAMTIRSRVAPK-MRXNPFEDSA-N 1 3 309.498 2.347 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C1 ZINC001398252088 1160836200 /nfs/dbraw/zinc/83/62/00/1160836200.db2.gz IWOPKFZNEOXZLG-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C1 ZINC001398252088 1160836201 /nfs/dbraw/zinc/83/62/01/1160836201.db2.gz IWOPKFZNEOXZLG-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+]CC[C@H](C)F)CCCC1 ZINC001378716609 1152422785 /nfs/dbraw/zinc/42/27/85/1152422785.db2.gz LAAYLWQEZCNKCA-AWEZNQCLSA-N 1 3 301.450 2.093 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@@H](C2CC2)[C@H]2CNCCO2)C1 ZINC000422750158 533791493 /nfs/dbraw/zinc/79/14/93/533791493.db2.gz ADJRXXDDKVTXOY-ATLSCFEFSA-N 1 3 323.525 2.100 20 0 DEADHO C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)C1 ZINC000422750158 533791473 /nfs/dbraw/zinc/79/14/73/533791473.db2.gz ADJRXXDDKVTXOY-ATLSCFEFSA-N 1 3 323.525 2.100 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@@H](C2CC2)[C@H]2CNCCO2)C1 ZINC000422750158 533791490 /nfs/dbraw/zinc/79/14/90/533791490.db2.gz ADJRXXDDKVTXOY-ATLSCFEFSA-N 1 3 323.525 2.100 20 0 DEADHO C[C@H](NCC1([NH+](C)C)Cc2ccccc2C1)c1cnccc1N ZINC000422776173 533832658 /nfs/dbraw/zinc/83/26/58/533832658.db2.gz DGHKPXPGQGFJPF-AWEZNQCLSA-N 1 3 310.445 2.244 20 0 DEADHO C[C@H](CCCC[NH3+])NCc1nnc2ccc(C(F)(F)F)cn21 ZINC000422799763 533848394 /nfs/dbraw/zinc/84/83/94/533848394.db2.gz YJMJIDMATGNTKR-SNVBAGLBSA-N 1 3 315.343 2.355 20 0 DEADHO C[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1)[C@H]1CCCCN1 ZINC000423073325 533892085 /nfs/dbraw/zinc/89/20/85/533892085.db2.gz INUCPKYHWBUOBP-VIBAHUMZSA-N 1 3 306.425 2.412 20 0 DEADHO C[C@H](CNCc1sccc1Cl)N(C)C(=O)CC[NH+](C)C ZINC001378805660 1152451875 /nfs/dbraw/zinc/45/18/75/1152451875.db2.gz CYTODRKJDHGVPV-LLVKDONJSA-N 1 3 317.886 2.290 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)[C@H](C)O1 ZINC000294685493 533955534 /nfs/dbraw/zinc/95/55/34/533955534.db2.gz FOVKKWGZIBECDV-VCBZYWHSSA-N 1 3 318.461 2.299 20 0 DEADHO CCN1CCC(N(C)C(=O)CSCC[NH+](CC)CC)CC1 ZINC000360116832 535566790 /nfs/dbraw/zinc/56/67/90/535566790.db2.gz AODVIMMNUAOYTN-UHFFFAOYSA-N 1 3 315.527 2.004 20 0 DEADHO C[C@@H](CNC(=O)NC[C@@H]1N(C)CCCC1(C)C)C[NH+]1CCCC1 ZINC000447951688 533963960 /nfs/dbraw/zinc/96/39/60/533963960.db2.gz NKFCQJWJLHQOSS-HOTGVXAUSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000422954728 534067419 /nfs/dbraw/zinc/06/74/19/534067419.db2.gz IDWMDGCGDBFSSX-WBVHZDCISA-N 1 3 315.461 2.334 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCOc1ccc(C(F)(F)F)cn1 ZINC000422995440 534072375 /nfs/dbraw/zinc/07/23/75/534072375.db2.gz XZYCQJWUBHBRND-DGCLKSJQSA-N 1 3 317.355 2.457 20 0 DEADHO Cc1ccc(CN[C@@H](C)C[C@@H](C)[NH3+])c(-n2cc(Cl)cn2)n1 ZINC000423066850 534077769 /nfs/dbraw/zinc/07/77/69/534077769.db2.gz FNSURRQZARQSIN-PWSUYJOCSA-N 1 3 307.829 2.445 20 0 DEADHO C[C@@H]1CCNC[C@@H]1[NH2+]C[C@@H]1CSCCN1Cc1ccccc1 ZINC000423073775 534084481 /nfs/dbraw/zinc/08/44/81/534084481.db2.gz JRVHWPALNDGAFM-NXHRZFHOSA-N 1 3 319.518 2.192 20 0 DEADHO C[C@H](C[NH2+]Cc1ccc(Cl)cc1)NC(=O)CN(C)C1CCC1 ZINC001401624643 1162050593 /nfs/dbraw/zinc/05/05/93/1162050593.db2.gz HZTAJAZTAGULGM-CYBMUJFWSA-N 1 3 323.868 2.419 20 0 DEADHO C[C@]1(CNC(=O)N2CCC[C@@H]2CN2CCCCC2)CCC[NH2+]C1 ZINC000418541093 534172389 /nfs/dbraw/zinc/17/23/89/534172389.db2.gz NCONVHVMSHFXLU-AEFFLSMTSA-N 1 3 322.497 2.036 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)NCC[C@H](C)[NH3+])N2CCCC2)cc1 ZINC000417356728 534219090 /nfs/dbraw/zinc/21/90/90/534219090.db2.gz QAHOKZMZVVLDOB-DOTOQJQBSA-N 1 3 318.465 2.168 20 0 DEADHO C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443076442 534291932 /nfs/dbraw/zinc/29/19/32/534291932.db2.gz SCELKLGAWRLQMU-WBVHZDCISA-N 1 3 303.450 2.094 20 0 DEADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)[C@@H](C)CN1 ZINC000418141285 534314048 /nfs/dbraw/zinc/31/40/48/534314048.db2.gz KVCDCUASUSJRMX-VYDXJSESSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)[C@@H](C)CN1 ZINC000418141285 534314049 /nfs/dbraw/zinc/31/40/49/534314049.db2.gz KVCDCUASUSJRMX-VYDXJSESSA-N 1 3 322.497 2.175 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1cn2ccccc2n1 ZINC000422821544 534349215 /nfs/dbraw/zinc/34/92/15/534349215.db2.gz WXMSSYAYUCQUAY-CYBMUJFWSA-N 1 3 309.417 2.390 20 0 DEADHO CC(C)N(C(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C)C2)C(C)C ZINC000339435627 519573230 /nfs/dbraw/zinc/57/32/30/519573230.db2.gz DNOSJMHBWFNJFN-FUHWJXTLSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)N(C(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCCN(C)C2)C(C)C ZINC000339435627 519573234 /nfs/dbraw/zinc/57/32/34/519573234.db2.gz DNOSJMHBWFNJFN-FUHWJXTLSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)N1CCN(CCC[NH2+]C2(CCO)CCCCC2)CC1 ZINC000337322184 519682013 /nfs/dbraw/zinc/68/20/13/519682013.db2.gz QUWDIFCNYVACOL-UHFFFAOYSA-N 1 3 311.514 2.077 20 0 DEADHO c1[nH]c2ccccc2c1CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422737629 534460820 /nfs/dbraw/zinc/46/08/20/534460820.db2.gz ZZKSHZGZQXNWNY-QXAKKESOSA-N 1 3 313.445 2.457 20 0 DEADHO c1ccc(COCCOCCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000423038559 534489459 /nfs/dbraw/zinc/48/94/59/534489459.db2.gz DAIXWFLGMCKBHP-DFNIBXOVSA-N 1 3 318.461 2.483 20 0 DEADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCC1=CCCOC1 ZINC000423119319 534503201 /nfs/dbraw/zinc/50/32/01/534503201.db2.gz DNQDIIMEFTXEBN-WMZOPIPTSA-N 1 3 300.402 2.179 20 0 DEADHO CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2CCCN2C)cc1)C1CC1 ZINC000338075684 521303219 /nfs/dbraw/zinc/30/32/19/521303219.db2.gz GYMVYZHFPVEAEB-SFHVURJKSA-N 1 3 315.461 2.495 20 0 DEADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CCCN2C)cc1)C1CC1 ZINC000338075684 521303226 /nfs/dbraw/zinc/30/32/26/521303226.db2.gz GYMVYZHFPVEAEB-SFHVURJKSA-N 1 3 315.461 2.495 20 0 DEADHO CCN1CCC(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000338285019 521575608 /nfs/dbraw/zinc/57/56/08/521575608.db2.gz LADXRTQAOHFIDQ-HNNXBMFYSA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCC(NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000338285019 521575616 /nfs/dbraw/zinc/57/56/16/521575616.db2.gz LADXRTQAOHFIDQ-HNNXBMFYSA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CC[C@H]([N@H+](C)CCCN2CCN(C(C)C)CC2)C[C@@H]1C ZINC000337260336 521719977 /nfs/dbraw/zinc/71/99/77/521719977.db2.gz WWBBWWUMVBEACF-OALUTQOASA-N 1 3 324.557 2.207 20 0 DEADHO CCN1CC[C@H]([N@@H+](C)CCCN2CCN(C(C)C)CC2)C[C@@H]1C ZINC000337260336 521719979 /nfs/dbraw/zinc/71/99/79/521719979.db2.gz WWBBWWUMVBEACF-OALUTQOASA-N 1 3 324.557 2.207 20 0 DEADHO C[C@H](CNC(=O)N(C)C[C@@H]1CCCN(C)C1)C[NH+]1CCCCC1 ZINC000115805749 524394031 /nfs/dbraw/zinc/39/40/31/524394031.db2.gz YDAWPHKPIDWPKE-IAGOWNOFSA-N 1 3 324.513 2.092 20 0 DEADHO Cc1ccccc1CCNC(=O)[C@@H](C)N1CCC[C@@H](CC[NH3+])C1 ZINC000443057861 534809652 /nfs/dbraw/zinc/80/96/52/534809652.db2.gz IJYDULSJSODSGO-SJORKVTESA-N 1 3 317.477 2.103 20 0 DEADHO CC(C)(CC[NH3+])NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000422586055 527024728 /nfs/dbraw/zinc/02/47/28/527024728.db2.gz AXKYKAKYNAFOFN-MRXNPFEDSA-N 1 3 318.465 2.250 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418403608 528080544 /nfs/dbraw/zinc/08/05/44/528080544.db2.gz BUZQYLKMZILSRP-CVEARBPZSA-N 1 3 310.486 2.021 20 0 DEADHO CCC[NH+]1CCC(NC(=O)c2ccccc2CN(C)C)CC1 ZINC000433142070 528202400 /nfs/dbraw/zinc/20/24/00/528202400.db2.gz RNAWFLKVYVWEDC-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)N1CCCNCC1)c1ccccc1 ZINC000416846859 528272004 /nfs/dbraw/zinc/27/20/04/528272004.db2.gz UTARFMXFSLKAMU-QGZVFWFLSA-N 1 3 318.465 2.074 20 0 DEADHO CCC[NH2+][C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000294882771 528537298 /nfs/dbraw/zinc/53/72/98/528537298.db2.gz XPSCHEDKCQSWHO-HNNXBMFYSA-N 1 3 303.450 2.155 20 0 DEADHO CCCN[C@@H](C)C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000295929867 528547706 /nfs/dbraw/zinc/54/77/06/528547706.db2.gz FPPZIPSARQUMED-AWEZNQCLSA-N 1 3 307.438 2.344 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000294921998 528552697 /nfs/dbraw/zinc/55/26/97/528552697.db2.gz CSZDUHTUQNIZBK-CQSZACIVSA-N 1 3 323.506 2.464 20 0 DEADHO CCCOc1cccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@H](C)N)c1 ZINC000422987787 528752221 /nfs/dbraw/zinc/75/22/21/528752221.db2.gz HJXLIDGCWIQCFR-JCGIZDLHSA-N 1 3 306.450 2.360 20 0 DEADHO CCCOc1cccc(CCN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])c1 ZINC000422987787 528752224 /nfs/dbraw/zinc/75/22/24/528752224.db2.gz HJXLIDGCWIQCFR-JCGIZDLHSA-N 1 3 306.450 2.360 20 0 DEADHO CC(C)N(C)c1ccccc1CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000423059118 528853776 /nfs/dbraw/zinc/85/37/76/528853776.db2.gz LELRPXSSKRWAEH-USXIJHARSA-N 1 3 305.466 2.373 20 0 DEADHO CCC([NH3+])(CC)CNC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000418446430 528927911 /nfs/dbraw/zinc/92/79/11/528927911.db2.gz ZEVOAQGEAQCVPK-UHFFFAOYSA-N 1 3 324.469 2.179 20 0 DEADHO CCN(C(=O)N[C@@H](C)CC[NH3+])[C@H]1CCN(Cc2ccccc2)C1 ZINC000418546295 529006083 /nfs/dbraw/zinc/00/60/83/529006083.db2.gz JJVWQONFSXYAKG-RDJZCZTQSA-N 1 3 318.465 2.030 20 0 DEADHO CCN1CCC(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000359875327 535470060 /nfs/dbraw/zinc/47/00/60/535470060.db2.gz KLEFLHTURVIKAM-QGZVFWFLSA-N 1 3 322.497 2.034 20 0 DEADHO CCN1CCC(NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000359875327 535470064 /nfs/dbraw/zinc/47/00/64/535470064.db2.gz KLEFLHTURVIKAM-QGZVFWFLSA-N 1 3 322.497 2.034 20 0 DEADHO CC[C@]1(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC[NH2+]C1 ZINC000377537255 535883059 /nfs/dbraw/zinc/88/30/59/535883059.db2.gz IGGBSOGMVNWYMC-AWEZNQCLSA-N 1 3 315.339 2.492 20 0 DEADHO C[NH+](C)CCOC1CCN(Cc2cccc3c2NCC3)CC1 ZINC000346843897 535893051 /nfs/dbraw/zinc/89/30/51/535893051.db2.gz XXYILUWEWYUVSG-UHFFFAOYSA-N 1 3 303.450 2.197 20 0 DEADHO CN(C)Cc1ccc(NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000377796099 536014340 /nfs/dbraw/zinc/01/43/40/536014340.db2.gz LCBBPORVVAQAEM-DLBZAZTESA-N 1 3 301.434 2.322 20 0 DEADHO CCc1cnc(N2CCN(CCC3CC[NH2+]CC3)CC2)s1 ZINC000359198717 536060188 /nfs/dbraw/zinc/06/01/88/536060188.db2.gz CMFNEPAEBFYQPE-UHFFFAOYSA-N 1 3 308.495 2.217 20 0 DEADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1cccc(CN(C)C)c1 ZINC000449323018 536408358 /nfs/dbraw/zinc/40/83/58/536408358.db2.gz REEIIUPOIBBRHM-MRXNPFEDSA-N 1 3 305.466 2.389 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)C ZINC001426166718 1174626487 /nfs/dbraw/zinc/62/64/87/1174626487.db2.gz OHYCRBCTEWSDRV-UONOGXRCSA-N 1 3 303.466 2.195 20 0 DEADHO CC(C)[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C(F)(F)F ZINC001426210216 1174648750 /nfs/dbraw/zinc/64/87/50/1174648750.db2.gz KXBANMHRIXXEKJ-OLZOCXBDSA-N 1 3 323.403 2.104 20 0 DEADHO Cc1cc(C[NH2+]C[C@H](C)NC(=O)C2(N(C)C)CCC2)c(C)s1 ZINC001379515469 1152635523 /nfs/dbraw/zinc/63/55/23/1152635523.db2.gz IEAUSMTVUANPOX-LBPRGKRZSA-N 1 3 323.506 2.444 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC001361775023 1152737939 /nfs/dbraw/zinc/73/79/39/1152737939.db2.gz MNLSUPJKBGRZOR-SJORKVTESA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@@H](F)CN(C)CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001380991430 1152890916 /nfs/dbraw/zinc/89/09/16/1152890916.db2.gz ZAJWVZWHGHYZDH-HZPDHXFCSA-N 1 3 315.477 2.389 20 0 DEADHO CC[C@@H](F)CN(C)CCCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001380991430 1152890917 /nfs/dbraw/zinc/89/09/17/1152890917.db2.gz ZAJWVZWHGHYZDH-HZPDHXFCSA-N 1 3 315.477 2.389 20 0 DEADHO CC1(C)C[C@@H](N[C@H]2CCN(C(=O)C3CCCC3)C2)C[C@@H]([NH3+])C1 ZINC000925559812 625365280 /nfs/dbraw/zinc/36/52/80/625365280.db2.gz KADMWGCOMMEXLQ-PMPSAXMXSA-N 1 3 307.482 2.273 20 0 DEADHO CCNC(=O)C1(C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CCC1 ZINC000925651100 625515149 /nfs/dbraw/zinc/51/51/49/625515149.db2.gz WHJADRMIUYXTIP-HZPDHXFCSA-N 1 3 307.482 2.051 20 0 DEADHO Cc1cc(F)ncc1CNC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000892763593 625566622 /nfs/dbraw/zinc/56/66/22/625566622.db2.gz VJLOZTCELWVIEY-UHFFFAOYSA-N 1 3 320.456 2.177 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCCC2)C1 ZINC000969650277 622862310 /nfs/dbraw/zinc/86/23/10/622862310.db2.gz RHNZGNNEFBZSSK-CRAIPNDOSA-N 1 3 321.509 2.486 20 0 DEADHO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1)c1ccccc1 ZINC001020586003 622924784 /nfs/dbraw/zinc/92/47/84/622924784.db2.gz BZNGZRULYHEAEQ-JOCBIADPSA-N 1 3 315.461 2.469 20 0 DEADHO C[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)CN2CCC[C@@H]2C)C1)c1ccccc1 ZINC001020586005 622925001 /nfs/dbraw/zinc/92/50/01/622925001.db2.gz BZNGZRULYHEAEQ-MVJTYMMSSA-N 1 3 315.461 2.469 20 0 DEADHO CC(C)(C)OC(=O)NC/C=C/CNC1CC[NH+](C2CC2)CC1 ZINC000310008658 625617723 /nfs/dbraw/zinc/61/77/23/625617723.db2.gz JDKDKKAPAFNJEA-SNAWJCMRSA-N 1 3 309.454 2.284 20 0 DEADHO CC(C)[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001024186090 625661832 /nfs/dbraw/zinc/66/18/32/625661832.db2.gz KUTFRARYYIROMA-SJORKVTESA-N 1 3 309.498 2.486 20 0 DEADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC000970717132 623639901 /nfs/dbraw/zinc/63/99/01/623639901.db2.gz IYMDMIQWHDIJSH-QGZVFWFLSA-N 1 3 305.466 2.163 20 0 DEADHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)C1C[NH+](CCCF)C1 ZINC000970917233 623788896 /nfs/dbraw/zinc/78/88/96/623788896.db2.gz OEYNFOLJJKAJFZ-CQSZACIVSA-N 1 3 321.440 2.158 20 0 DEADHO CCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021679537 623946754 /nfs/dbraw/zinc/94/67/54/623946754.db2.gz OWDHEYCYTVZCGR-HOCLYGCPSA-N 1 3 304.438 2.065 20 0 DEADHO CCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021679537 623946757 /nfs/dbraw/zinc/94/67/57/623946757.db2.gz OWDHEYCYTVZCGR-HOCLYGCPSA-N 1 3 304.438 2.065 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]2C[N@H+](CC3CCC3)CC[C@@H]21 ZINC001021679509 623946804 /nfs/dbraw/zinc/94/68/04/623946804.db2.gz ONLHJUULQFQVFM-RDJZCZTQSA-N 1 3 316.449 2.065 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]2C[N@@H+](CC3CCC3)CC[C@@H]21 ZINC001021679509 623946807 /nfs/dbraw/zinc/94/68/07/623946807.db2.gz ONLHJUULQFQVFM-RDJZCZTQSA-N 1 3 316.449 2.065 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1C[C@H]([NH2+]CC2CC(C)C2)C1 ZINC001022069402 624190817 /nfs/dbraw/zinc/19/08/17/624190817.db2.gz JTASNGAXZPTOCK-ZKLCHKPXSA-N 1 3 307.482 2.142 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@H]3C)C2)c1 ZINC001022711114 624862025 /nfs/dbraw/zinc/86/20/25/624862025.db2.gz SXQNHUSNJMUWCX-NXHRZFHOSA-N 1 3 315.461 2.216 20 0 DEADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001022716961 624870066 /nfs/dbraw/zinc/87/00/66/624870066.db2.gz LAHHCLGSPNPYKE-CALCHBBNSA-N 1 3 319.493 2.456 20 0 DEADHO CN1CCN(Cc2ccc(NCC3CC[NH+](C)CC3)cc2)CC1 ZINC000892263216 624888492 /nfs/dbraw/zinc/88/84/92/624888492.db2.gz ROTWOHGOCSVXIT-UHFFFAOYSA-N 1 3 316.493 2.188 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([N@H+](C)CC3CC(C)(C)C3)C2)C1 ZINC000972332330 624931629 /nfs/dbraw/zinc/93/16/29/624931629.db2.gz BRTAWMJSPWZJTO-RDJZCZTQSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CC3CC(C)(C)C3)C2)C1 ZINC000972332330 624931631 /nfs/dbraw/zinc/93/16/31/624931631.db2.gz BRTAWMJSPWZJTO-RDJZCZTQSA-N 1 3 321.509 2.297 20 0 DEADHO C[N@H+](CCC1CCCCC1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972429432 625073995 /nfs/dbraw/zinc/07/39/95/625073995.db2.gz GNUJNOPNVMMGJO-QGZVFWFLSA-N 1 3 318.465 2.455 20 0 DEADHO C[N@@H+](CCC1CCCCC1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972429432 625073997 /nfs/dbraw/zinc/07/39/97/625073997.db2.gz GNUJNOPNVMMGJO-QGZVFWFLSA-N 1 3 318.465 2.455 20 0 DEADHO CC[NH2+]C[C@H]1CCCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001025085566 625200622 /nfs/dbraw/zinc/20/06/22/625200622.db2.gz SILBTAPXXNRZLX-PBHICJAKSA-N 1 3 313.461 2.190 20 0 DEADHO F[C@H]1CC2(CC[C@@H]1[NH2+]C1CCN(CC3CC3)CC1)OCCO2 ZINC000892624876 625201401 /nfs/dbraw/zinc/20/14/01/625201401.db2.gz YJFNFZDZQVTASI-HOTGVXAUSA-N 1 3 312.429 2.084 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001023402897 625255564 /nfs/dbraw/zinc/25/55/64/625255564.db2.gz VUAZSRKVRDUREL-ZWKOTPCHSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001023402897 625255570 /nfs/dbraw/zinc/25/55/70/625255570.db2.gz VUAZSRKVRDUREL-ZWKOTPCHSA-N 1 3 321.509 2.489 20 0 DEADHO CC1(C)CCC(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)CC1 ZINC001019774811 625831886 /nfs/dbraw/zinc/83/18/86/625831886.db2.gz JLZVKPPFGSUCSX-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CCc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC001019774966 625831899 /nfs/dbraw/zinc/83/18/99/625831899.db2.gz PPABVLZCURSGJG-SFHVURJKSA-N 1 3 315.461 2.035 20 0 DEADHO CC1CCN(CC(=O)N(C)C2CC([NH2+]CC3CCCC3)C2)CC1 ZINC000999599126 634640802 /nfs/dbraw/zinc/64/08/02/634640802.db2.gz QMKNRYGCFQDBPI-UHFFFAOYSA-N 1 3 321.509 2.488 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]CCC2CC2)C1 ZINC000999876634 634698177 /nfs/dbraw/zinc/69/81/77/634698177.db2.gz QFXIFSDPUJVQBX-JCYILVPMSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000202624059 634814676 /nfs/dbraw/zinc/81/46/76/634814676.db2.gz FWGFPQNMBTUEDS-UHFFFAOYSA-N 1 3 305.466 2.153 20 0 DEADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCC1CCCC1 ZINC000996353672 633245241 /nfs/dbraw/zinc/24/52/41/633245241.db2.gz CBNHFAHQTZLCIR-INIZCTEOSA-N 1 3 318.465 2.359 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC000996379327 633250141 /nfs/dbraw/zinc/25/01/41/633250141.db2.gz KVHUCSISMKJXBZ-DLBZAZTESA-N 1 3 321.509 2.486 20 0 DEADHO CCC[NH2+][C@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)CC1(C)C ZINC000996379068 633250431 /nfs/dbraw/zinc/25/04/31/633250431.db2.gz JYFHNHYMRIZLBI-CVEARBPZSA-N 1 3 309.498 2.486 20 0 DEADHO CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)CC1(C)C ZINC000996379074 633250636 /nfs/dbraw/zinc/25/06/36/633250636.db2.gz JYFHNHYMRIZLBI-JKSUJKDBSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)CC1(C)C ZINC000996381758 633251060 /nfs/dbraw/zinc/25/10/60/633251060.db2.gz YHWBMKFHNQDQLF-JKSUJKDBSA-N 1 3 309.498 2.484 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccsc2)C1)N(C)C ZINC001026916589 633262950 /nfs/dbraw/zinc/26/29/50/633262950.db2.gz LGOAXUMFXCZWEN-DZGCQCFKSA-N 1 3 309.479 2.026 20 0 DEADHO CC(C)C[N@@H+]1C[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974861568 633337084 /nfs/dbraw/zinc/33/70/84/633337084.db2.gz HOQLXWFSGKWWQR-DLBZAZTESA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)C[N@H+]1C[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974861568 633337088 /nfs/dbraw/zinc/33/70/88/633337088.db2.gz HOQLXWFSGKWWQR-DLBZAZTESA-N 1 3 321.509 2.343 20 0 DEADHO CC1(C)C[N@H+](CC2CC2)C[C@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC000974864030 633339762 /nfs/dbraw/zinc/33/97/62/633339762.db2.gz ORTXCZSCBNSVSB-SJORKVTESA-N 1 3 319.493 2.097 20 0 DEADHO CC1(C)C[N@@H+](CC2CC2)C[C@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC000974864030 633339767 /nfs/dbraw/zinc/33/97/67/633339767.db2.gz ORTXCZSCBNSVSB-SJORKVTESA-N 1 3 319.493 2.097 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC([NH2+]Cc2ccsc2)CC1)C1CC1 ZINC000996677589 633348050 /nfs/dbraw/zinc/34/80/50/633348050.db2.gz LLPLABCGECEEHC-INIZCTEOSA-N 1 3 321.490 2.169 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]CC2CC(C)C2)CC1)N(C)C ZINC000996695267 633351355 /nfs/dbraw/zinc/35/13/55/633351355.db2.gz KFVNCCMWJRHROW-DQPZFDDXSA-N 1 3 309.498 2.199 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]Cc2ccsc2)CC1 ZINC000997001310 633558109 /nfs/dbraw/zinc/55/81/09/633558109.db2.gz UDHLXXAAVCOMIM-CQSZACIVSA-N 1 3 321.490 2.313 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CCC2)C1)N(C)C ZINC001027451669 633807850 /nfs/dbraw/zinc/80/78/50/633807850.db2.gz FVFDCAKAUXEYAZ-SJORKVTESA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC2)C1)N(C)C ZINC001027451669 633807860 /nfs/dbraw/zinc/80/78/60/633807860.db2.gz FVFDCAKAUXEYAZ-SJORKVTESA-N 1 3 309.498 2.296 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC(C[NH2+]Cc2ccsc2)CC1 ZINC000998122311 634146922 /nfs/dbraw/zinc/14/69/22/634146922.db2.gz YZXZDHAHIWATPZ-UHFFFAOYSA-N 1 3 318.446 2.042 20 0 DEADHO Cc1ccc([C@H](CCn2cncn2)NCCC(C)(C)[NH3+])cc1 ZINC000925736519 634280229 /nfs/dbraw/zinc/28/02/29/634280229.db2.gz BBVGDKVMMDXCER-INIZCTEOSA-N 1 3 301.438 2.435 20 0 DEADHO CC(C)[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C[C@@H]2C1 ZINC000980144365 634860672 /nfs/dbraw/zinc/86/06/72/634860672.db2.gz AAAFGBNVODLFBX-BBWFWOEESA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C[C@@H]2C1 ZINC000980144365 634860675 /nfs/dbraw/zinc/86/06/75/634860675.db2.gz AAAFGBNVODLFBX-BBWFWOEESA-N 1 3 321.509 2.486 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)CC[NH2+]C(C)(C)C ZINC000314458078 634881372 /nfs/dbraw/zinc/88/13/72/634881372.db2.gz APVSWXRWNGNZOP-UHFFFAOYSA-N 1 3 307.438 2.474 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC(C)C ZINC001027918817 634965040 /nfs/dbraw/zinc/96/50/40/634965040.db2.gz QINOHSVTKACGRG-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC(C)C ZINC001027918817 634965042 /nfs/dbraw/zinc/96/50/42/634965042.db2.gz QINOHSVTKACGRG-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001000314468 635143055 /nfs/dbraw/zinc/14/30/55/635143055.db2.gz XLBKOXJWMOSCOP-HNNXBMFYSA-N 1 3 316.449 2.113 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[N@H+](C[C@@H](C)CC)CC1 ZINC000981282894 635421567 /nfs/dbraw/zinc/42/15/67/635421567.db2.gz JPIRHGBBKCAMJT-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[N@@H+](C[C@@H](C)CC)CC1 ZINC000981282894 635421569 /nfs/dbraw/zinc/42/15/69/635421569.db2.gz JPIRHGBBKCAMJT-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO Cc1cc(C(F)(F)F)nn1CCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925804121 635428719 /nfs/dbraw/zinc/42/87/19/635428719.db2.gz CFOSPCVVTGASIA-MNOVXSKESA-N 1 3 302.344 2.070 20 0 DEADHO Cc1cc(C(F)(F)F)nn1CC[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000925804121 635428722 /nfs/dbraw/zinc/42/87/22/635428722.db2.gz CFOSPCVVTGASIA-MNOVXSKESA-N 1 3 302.344 2.070 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CCC[C@H]([NH2+]CCF)C1 ZINC000981541326 635523162 /nfs/dbraw/zinc/52/31/62/635523162.db2.gz JZICGJZNWRZWDI-JKSUJKDBSA-N 1 3 321.440 2.348 20 0 DEADHO CC(C)C[N@@H+]1CCCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000981816172 635667826 /nfs/dbraw/zinc/66/78/26/635667826.db2.gz OUZZZHDAMODZIX-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)C[N@H+]1CCCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000981816172 635667830 /nfs/dbraw/zinc/66/78/30/635667830.db2.gz OUZZZHDAMODZIX-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO OC1(C2(C[NH2+][C@@H]3CCNC[C@H]3C3CCCC3)CC2)CCOCC1 ZINC000925826175 635746245 /nfs/dbraw/zinc/74/62/45/635746245.db2.gz LBGDJDMMPQSXIT-DLBZAZTESA-N 1 3 322.493 2.066 20 0 DEADHO CC(C)=CC[N@H+]1CCCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC000982012354 635809348 /nfs/dbraw/zinc/80/93/48/635809348.db2.gz UZRDWRFPWUIEAB-QGZVFWFLSA-N 1 3 319.493 2.361 20 0 DEADHO CC(C)=CC[N@@H+]1CCCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC000982012354 635809355 /nfs/dbraw/zinc/80/93/55/635809355.db2.gz UZRDWRFPWUIEAB-QGZVFWFLSA-N 1 3 319.493 2.361 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC1CC[NH+](CC[C@H](C)F)CC1 ZINC001002956100 635860188 /nfs/dbraw/zinc/86/01/88/635860188.db2.gz QYSIGGMNSAHTGQ-GOEBONIOSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000261541157 635887875 /nfs/dbraw/zinc/88/78/75/635887875.db2.gz FRDIAYWYRGCVEV-YJBOKZPZSA-N 1 3 303.450 2.155 20 0 DEADHO CC(C)C[N@@H+]1CCCC2(CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC000982161272 635893601 /nfs/dbraw/zinc/89/36/01/635893601.db2.gz MHWCQZRQIYWONW-IRXDYDNUSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)C[N@H+]1CCCC2(CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC000982161272 635893603 /nfs/dbraw/zinc/89/36/03/635893603.db2.gz MHWCQZRQIYWONW-IRXDYDNUSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@H](C(=O)N1C[C@]2(C)C[N@H+](CC=C(C)C)C[C@]2(C)C1)N(C)C ZINC000982306357 635960510 /nfs/dbraw/zinc/96/05/10/635960510.db2.gz PUNUZGRCCVJYLY-QRQLOZEOSA-N 1 3 321.509 2.463 20 0 DEADHO CC[C@H](C(=O)N1C[C@]2(C)C[N@@H+](CC=C(C)C)C[C@]2(C)C1)N(C)C ZINC000982306357 635960513 /nfs/dbraw/zinc/96/05/13/635960513.db2.gz PUNUZGRCCVJYLY-QRQLOZEOSA-N 1 3 321.509 2.463 20 0 DEADHO CC(C)=CC[NH+]1CCC(NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001003425032 635966386 /nfs/dbraw/zinc/96/63/86/635966386.db2.gz ZUTITFSAIANEIW-UHFFFAOYSA-N 1 3 307.482 2.408 20 0 DEADHO c1cc(OCC[NH+]2CCCC2)ccc1CNCC1OCCCO1 ZINC000922277811 636058647 /nfs/dbraw/zinc/05/86/47/636058647.db2.gz YCWBJAMRAUNEDX-UHFFFAOYSA-N 1 3 320.433 2.014 20 0 DEADHO Cc1cc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c(C)o1 ZINC000922388231 636142187 /nfs/dbraw/zinc/14/21/87/636142187.db2.gz NPGJCLIKOWFSQW-TVFCKZIOSA-N 1 3 306.450 2.466 20 0 DEADHO Cc1cc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)c(C)o1 ZINC000922388231 636142189 /nfs/dbraw/zinc/14/21/89/636142189.db2.gz NPGJCLIKOWFSQW-TVFCKZIOSA-N 1 3 306.450 2.466 20 0 DEADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3scnc3C)C2)[C@H]1C(C)C ZINC000922396083 636157534 /nfs/dbraw/zinc/15/75/34/636157534.db2.gz ZYZSRZREIWQTES-SRABZTEZSA-N 1 3 323.506 2.411 20 0 DEADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3scnc3C)C2)[C@H]1C(C)C ZINC000922396083 636157536 /nfs/dbraw/zinc/15/75/36/636157536.db2.gz ZYZSRZREIWQTES-SRABZTEZSA-N 1 3 323.506 2.411 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)NCC1([NH+](C)C)CC1)c1ccco1 ZINC000922423804 636166522 /nfs/dbraw/zinc/16/65/22/636166522.db2.gz IONAQMHLLLTQJX-UONOGXRCSA-N 1 3 322.453 2.102 20 0 DEADHO C[N@@H+]1CC[C@H](NC[C@H]2CCCN2CC(F)(F)F)CC1(C)C ZINC000922705155 636337618 /nfs/dbraw/zinc/33/76/18/636337618.db2.gz FDPVGPMUGOORAL-QWHCGFSZSA-N 1 3 307.404 2.476 20 0 DEADHO C[N@H+]1CC[C@H](NC[C@H]2CCCN2CC(F)(F)F)CC1(C)C ZINC000922705155 636337624 /nfs/dbraw/zinc/33/76/24/636337624.db2.gz FDPVGPMUGOORAL-QWHCGFSZSA-N 1 3 307.404 2.476 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001004474473 636464300 /nfs/dbraw/zinc/46/43/00/636464300.db2.gz OSHQWDHAXCZCFH-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001004474473 636464304 /nfs/dbraw/zinc/46/43/04/636464304.db2.gz OSHQWDHAXCZCFH-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CN(CC(=O)N1CC[C@H]2C[N@@H+](CC3CC3)C[C@H]2CC1)C1CCC1 ZINC000946623931 636476208 /nfs/dbraw/zinc/47/62/08/636476208.db2.gz UWVFEUJIMCIWKX-CALCHBBNSA-N 1 3 319.493 2.051 20 0 DEADHO CN(CC(=O)N1CC[C@H]2C[N@H+](CC3CC3)C[C@H]2CC1)C1CCC1 ZINC000946623931 636476210 /nfs/dbraw/zinc/47/62/10/636476210.db2.gz UWVFEUJIMCIWKX-CALCHBBNSA-N 1 3 319.493 2.051 20 0 DEADHO Cc1ccnc(N)c1C[NH2+]Cc1ccc(F)c(CN(C)C)c1 ZINC000894269015 636628038 /nfs/dbraw/zinc/62/80/38/636628038.db2.gz JWYUXRARQLTQEQ-UHFFFAOYSA-N 1 3 302.397 2.463 20 0 DEADHO C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cc([O-])cc(F)c1 ZINC000925024145 636894203 /nfs/dbraw/zinc/89/42/03/636894203.db2.gz RHDOKEJDPQTFRT-CJNGLKHVSA-N 1 3 310.413 2.419 20 0 DEADHO C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc([O-])cc(F)c1 ZINC000925024145 636894206 /nfs/dbraw/zinc/89/42/06/636894206.db2.gz RHDOKEJDPQTFRT-CJNGLKHVSA-N 1 3 310.413 2.419 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1[C@H](C)CCC1(C)C ZINC000923200708 637029374 /nfs/dbraw/zinc/02/93/74/637029374.db2.gz BTQZAAOBOLAASJ-LSDHHAIUSA-N 1 3 312.502 2.231 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1[C@H](C)CCC1(C)C ZINC000923200708 637029378 /nfs/dbraw/zinc/02/93/78/637029378.db2.gz BTQZAAOBOLAASJ-LSDHHAIUSA-N 1 3 312.502 2.231 20 0 DEADHO CN1c2ccc(C[NH2+]C[C@H]3CCN(C4CC4)C3)cc2CCC1=O ZINC000187119549 637034034 /nfs/dbraw/zinc/03/40/34/637034034.db2.gz PMBYHSVUHMRCCQ-OAHLLOKOSA-N 1 3 313.445 2.170 20 0 DEADHO C[C@](C[NH3+])(NC[C@H](O)Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000923295661 637097023 /nfs/dbraw/zinc/09/70/23/637097023.db2.gz DFBLZKSMASJWEE-HUUCEWRRSA-N 1 3 316.367 2.326 20 0 DEADHO C[C@](C[NH3+])(NC[C@H](O)CO[C@@H]1CCCc2ccccc21)C1CC1 ZINC000923296189 637097975 /nfs/dbraw/zinc/09/79/75/637097975.db2.gz OPMYKTYHOZKXGA-QXAKKESOSA-N 1 3 318.461 2.159 20 0 DEADHO COc1ccc(CN(C[C@H]2CC3(C[NH2+]C3)CO2)C2CC2)cc1 ZINC000923300872 637099821 /nfs/dbraw/zinc/09/98/21/637099821.db2.gz BEPVMBUTUZZSQP-QGZVFWFLSA-N 1 3 302.418 2.038 20 0 DEADHO CN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(=O)NCc1ccccc1 ZINC000923317049 637107417 /nfs/dbraw/zinc/10/74/17/637107417.db2.gz SLZZDVBIJLACOF-AYHJJNSGSA-N 1 3 315.461 2.155 20 0 DEADHO CCN(C[C@H](O)COc1ccc(F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000923336013 637122277 /nfs/dbraw/zinc/12/22/77/637122277.db2.gz PKEMGSWCAFJPFM-CVEARBPZSA-N 1 3 310.413 2.029 20 0 DEADHO NC1(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CCC1 ZINC000923331981 637124895 /nfs/dbraw/zinc/12/48/95/637124895.db2.gz JYTZPOCWXIZZOV-SNVBAGLBSA-N 1 3 319.232 2.204 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2ccnnc2)[C@H](C)C1 ZINC000925077789 637162984 /nfs/dbraw/zinc/16/29/84/637162984.db2.gz IMPHLEZDSITVFN-VYDXJSESSA-N 1 3 306.454 2.264 20 0 DEADHO O[C@@H](CCc1ccccc1)CN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000923426452 637171658 /nfs/dbraw/zinc/17/16/58/637171658.db2.gz DXLURUZAPGLFLD-OALUTQOASA-N 1 3 302.462 2.446 20 0 DEADHO C[C@@H](NC(=O)CN1CC[C@@H](CC[NH3+])C1)c1ccccc1Cl ZINC000923488645 637208839 /nfs/dbraw/zinc/20/88/39/637208839.db2.gz LRPCBYROIMSKMW-CHWSQXEVSA-N 1 3 309.841 2.188 20 0 DEADHO CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CC[C@@H](CC[NH3+])C1 ZINC000923489525 637208956 /nfs/dbraw/zinc/20/89/56/637208956.db2.gz YJBIQOZDQDVHOQ-CZUORRHYSA-N 1 3 305.422 2.083 20 0 DEADHO Cc1ccc(N2CC[C@H](N3CC[C@H](C[NH3+])[C@@H](C)C3)C2=O)cc1 ZINC000923498470 637214808 /nfs/dbraw/zinc/21/48/08/637214808.db2.gz PRBVVICEENMKCB-UXLLHSPISA-N 1 3 301.434 2.017 20 0 DEADHO CC(C)[C@H](NC(=O)CN1CC[C@H](C[NH3+])[C@H](C)C1)c1ccccc1 ZINC000923501555 637218555 /nfs/dbraw/zinc/21/85/55/637218555.db2.gz TUSYFARDOCJABM-SUMDDJOVSA-N 1 3 317.477 2.417 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923504362 637219824 /nfs/dbraw/zinc/21/98/24/637219824.db2.gz QUNDLTOAXPHWBL-KMIMBKNBSA-N 1 3 309.498 2.233 20 0 DEADHO CC[C@H](C)NC(=O)[C@@H](C)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923504310 637220130 /nfs/dbraw/zinc/22/01/30/637220130.db2.gz XAHUIBLLEQUYKF-XHSDSOJGSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]([NH2+]CC1CC1)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001029108681 637241622 /nfs/dbraw/zinc/24/16/22/637241622.db2.gz NTHUZNRSLVXJCK-CQSZACIVSA-N 1 3 307.482 2.097 20 0 DEADHO CN(CC[C@@H]1CCC[NH2+]C1)CC(=O)NCCC1=CCCCC1 ZINC000923556095 637247710 /nfs/dbraw/zinc/24/77/10/637247710.db2.gz ZHRXKILBRSRBQW-KRWDZBQOSA-N 1 3 307.482 2.315 20 0 DEADHO CC(C)CN1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001029375469 637681044 /nfs/dbraw/zinc/68/10/44/637681044.db2.gz QPTNDSSKYFLRGZ-KSZLIROESA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)CN1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001029375469 637681048 /nfs/dbraw/zinc/68/10/48/637681048.db2.gz QPTNDSSKYFLRGZ-KSZLIROESA-N 1 3 321.509 2.438 20 0 DEADHO C[C@@H](C[NH2+]CC[C@@H](C)N(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000895291871 637892595 /nfs/dbraw/zinc/89/25/95/637892595.db2.gz IKSBNQCLBMERNM-UONOGXRCSA-N 1 3 312.479 2.123 20 0 DEADHO C[C@@H](CNCC[C@@H](C)[NH+](C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000895291871 637892601 /nfs/dbraw/zinc/89/26/01/637892601.db2.gz IKSBNQCLBMERNM-UONOGXRCSA-N 1 3 312.479 2.123 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCN(C3CC3)C2)[C@@H]1c1ccccc1 ZINC000895880117 638241929 /nfs/dbraw/zinc/24/19/29/638241929.db2.gz OREGAFCTALOYHY-NJAFHUGGSA-N 1 3 313.445 2.032 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(C3CC3)C2)[C@@H]1c1ccccc1 ZINC000895880117 638241933 /nfs/dbraw/zinc/24/19/33/638241933.db2.gz OREGAFCTALOYHY-NJAFHUGGSA-N 1 3 313.445 2.032 20 0 DEADHO C[N@H+](C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)CC1CCCCC1 ZINC001029853336 639572888 /nfs/dbraw/zinc/57/28/88/639572888.db2.gz NMMSGDIOYMAYOJ-INIZCTEOSA-N 1 3 318.465 2.313 20 0 DEADHO C[N@@H+](C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)CC1CCCCC1 ZINC001029853336 639572891 /nfs/dbraw/zinc/57/28/91/639572891.db2.gz NMMSGDIOYMAYOJ-INIZCTEOSA-N 1 3 318.465 2.313 20 0 DEADHO C[N@H+](CCC1CCCC1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675984 639576918 /nfs/dbraw/zinc/57/69/18/639576918.db2.gz ZYJMMZDAQMHQDE-UHFFFAOYSA-N 1 3 318.465 2.455 20 0 DEADHO C[N@@H+](CCC1CCCC1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675984 639576921 /nfs/dbraw/zinc/57/69/21/639576921.db2.gz ZYJMMZDAQMHQDE-UHFFFAOYSA-N 1 3 318.465 2.455 20 0 DEADHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1cccc2c1OCO2 ZINC000925215533 639602996 /nfs/dbraw/zinc/60/29/96/639602996.db2.gz NYHWAAFQBFPDSO-AWEZNQCLSA-N 1 3 319.449 2.092 20 0 DEADHO C[N@@H+](Cc1ccsc1)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029903958 639754192 /nfs/dbraw/zinc/75/41/92/639754192.db2.gz IZZLDVFBVQSOME-OAHLLOKOSA-N 1 3 321.490 2.124 20 0 DEADHO C[N@H+](Cc1ccsc1)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029903958 639754203 /nfs/dbraw/zinc/75/42/03/639754203.db2.gz IZZLDVFBVQSOME-OAHLLOKOSA-N 1 3 321.490 2.124 20 0 DEADHO OC[C@@]12C[C@@H]1CN(Cc1cccc(C[NH+]3CCCCC3)c1)C2 ZINC000839574452 639758580 /nfs/dbraw/zinc/75/85/80/639758580.db2.gz MBMNMNPLTDGGJQ-MOPGFXCFSA-N 1 3 300.446 2.487 20 0 DEADHO CC[C@@](C)([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000841009396 640617445 /nfs/dbraw/zinc/61/74/45/640617445.db2.gz BXSKATOAVNQLJA-CRAIPNDOSA-N 1 3 303.450 2.099 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CC2CCCC2)CN1C(=O)CN(C)C1CCC1 ZINC000988955021 640695355 /nfs/dbraw/zinc/69/53/55/640695355.db2.gz JDBYVNBLVFJYQZ-HOCLYGCPSA-N 1 3 307.482 2.240 20 0 DEADHO CN(C)CC(C)(C)C[N@H+](C)Cc1cccn(C(F)F)c1=O ZINC000898306549 641096352 /nfs/dbraw/zinc/09/63/52/641096352.db2.gz LPSKXJMVZQFTMM-UHFFFAOYSA-N 1 3 301.381 2.263 20 0 DEADHO CN(C)CC(C)(C)C[N@@H+](C)Cc1cccn(C(F)F)c1=O ZINC000898306549 641096356 /nfs/dbraw/zinc/09/63/56/641096356.db2.gz LPSKXJMVZQFTMM-UHFFFAOYSA-N 1 3 301.381 2.263 20 0 DEADHO CN(C)CC(C)(C)C[N@H+](C)Cc1ccccc1-n1cncn1 ZINC000898307789 641097333 /nfs/dbraw/zinc/09/73/33/641097333.db2.gz HEZXJRUILREEHB-UHFFFAOYSA-N 1 3 301.438 2.287 20 0 DEADHO CN(C)CC(C)(C)C[N@@H+](C)Cc1ccccc1-n1cncn1 ZINC000898307789 641097335 /nfs/dbraw/zinc/09/73/35/641097335.db2.gz HEZXJRUILREEHB-UHFFFAOYSA-N 1 3 301.438 2.287 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CC2CCCC2)CN1C(=O)CN1CCC(C)CC1 ZINC000989606476 641167938 /nfs/dbraw/zinc/16/79/38/641167938.db2.gz RNVMGSHFWWHRHE-FUHWJXTLSA-N 1 3 321.509 2.488 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC(CC)([NH+]2CCC2)CC1 ZINC000899562613 642104964 /nfs/dbraw/zinc/10/49/64/642104964.db2.gz ZOXSUYCIJXOZHS-INIZCTEOSA-N 1 3 307.482 2.338 20 0 DEADHO O=C(NC[C@H](c1cccs1)N1CCCC1)C12CC[NH+](CC1)C2 ZINC000900012577 642234046 /nfs/dbraw/zinc/23/40/46/642234046.db2.gz CABUXRWYTCDLTL-CQSZACIVSA-N 1 3 319.474 2.097 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@H]3CC[C@]32C[NH3+])c1 ZINC000900480450 642382907 /nfs/dbraw/zinc/38/29/07/642382907.db2.gz QILQJERHLHDTLP-YJBOKZPZSA-N 1 3 316.449 2.483 20 0 DEADHO CN(C)CCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1CCCC1 ZINC000900685304 642444063 /nfs/dbraw/zinc/44/40/63/642444063.db2.gz RABXFMCJCCXOGI-DLBZAZTESA-N 1 3 307.482 2.336 20 0 DEADHO CN(C)CCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C1CCCC1 ZINC000900685304 642444066 /nfs/dbraw/zinc/44/40/66/642444066.db2.gz RABXFMCJCCXOGI-DLBZAZTESA-N 1 3 307.482 2.336 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000901088706 642563923 /nfs/dbraw/zinc/56/39/23/642563923.db2.gz MBAVYNLUGZLPRD-OAHLLOKOSA-N 1 3 318.465 2.455 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000901088706 642563926 /nfs/dbraw/zinc/56/39/26/642563926.db2.gz MBAVYNLUGZLPRD-OAHLLOKOSA-N 1 3 318.465 2.455 20 0 DEADHO COc1ccc2c(c1)C[C@H](C)C[C@@H]2[NH2+]C[C@H](O)CN1CCCC1 ZINC000902762340 643128204 /nfs/dbraw/zinc/12/82/04/643128204.db2.gz LWQOUBXEBLPUTM-QOKNQOGYSA-N 1 3 318.461 2.365 20 0 DEADHO COc1ccc2c(c1)C[C@@H](C)C[C@@H]2[NH2+]CC1(O)CCN(C)CC1 ZINC000902813825 643155323 /nfs/dbraw/zinc/15/53/23/643155323.db2.gz HYMPBDQQPVJSOF-KDOFPFPSSA-N 1 3 318.461 2.365 20 0 DEADHO FC(F)(F)[C@@H]1CC[C@@H](CN2CCC([C@@H]3CC[NH2+]C3)CC2)O1 ZINC000903452305 643356494 /nfs/dbraw/zinc/35/64/94/643356494.db2.gz KZAORPRAAOVLSW-RDBSUJKOSA-N 1 3 306.372 2.418 20 0 DEADHO CC(C)[C@@H](NC(=O)CN1C[C@@H](C)[C@H](CC[NH3+])C1)c1ccccc1 ZINC000903496301 643371373 /nfs/dbraw/zinc/37/13/73/643371373.db2.gz IYIHZARDWBCTDO-SZVBFZGTSA-N 1 3 317.477 2.417 20 0 DEADHO Cc1ccc(F)cc1NC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903495892 643371738 /nfs/dbraw/zinc/37/17/38/643371738.db2.gz BHSADNCAXIOTKV-MGPQQGTHSA-N 1 3 307.413 2.378 20 0 DEADHO COc1ccc(C)cc1NC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496534 643371809 /nfs/dbraw/zinc/37/18/09/643371809.db2.gz RDWZTTZPRGAFPL-RBSFLKMASA-N 1 3 319.449 2.247 20 0 DEADHO Cc1ccc(OCCN(C)C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903717433 643437955 /nfs/dbraw/zinc/43/79/55/643437955.db2.gz AHUUDDTXTZJXAZ-QZTJIDSGSA-N 1 3 304.434 2.074 20 0 DEADHO CN(CCOc1ccc(F)cc1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718238 643437964 /nfs/dbraw/zinc/43/79/64/643437964.db2.gz JEEQWILYRSFYEJ-QGZVFWFLSA-N 1 3 322.424 2.295 20 0 DEADHO CN(CCOc1cccc(Cl)c1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718435 643438157 /nfs/dbraw/zinc/43/81/57/643438157.db2.gz MLJFSNQTEMGGCV-IRXDYDNUSA-N 1 3 324.852 2.419 20 0 DEADHO CCC[C@H](C)NC(=O)[C@H]1CCCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903725390 643439837 /nfs/dbraw/zinc/43/98/37/643439837.db2.gz BIWNYJOKVQVJKO-BBWFWOEESA-N 1 3 309.498 2.393 20 0 DEADHO COC(=O)c1ccc(CN2CC[C@@H]([C@H](C)[NH3+])C2)c2ncccc12 ZINC000903742521 643450480 /nfs/dbraw/zinc/45/04/80/643450480.db2.gz BYDWSOSSQSPXJB-QWHCGFSZSA-N 1 3 313.401 2.191 20 0 DEADHO CCOC(=O)[C@@H](CCc1ccccc1)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903783709 643461707 /nfs/dbraw/zinc/46/17/07/643461707.db2.gz ASLDRFPFCCYKLZ-KBAYOESNSA-N 1 3 318.461 2.468 20 0 DEADHO CN(C)c1ccccc1C[N@@H+]1CCNCCC12CCOCC2 ZINC000903817860 643464807 /nfs/dbraw/zinc/46/48/07/643464807.db2.gz MTBAXSZRKMOUES-UHFFFAOYSA-N 1 3 303.450 2.097 20 0 DEADHO CN(C)c1ccccc1C[N@H+]1CCNCCC12CCOCC2 ZINC000903817860 643464811 /nfs/dbraw/zinc/46/48/11/643464811.db2.gz MTBAXSZRKMOUES-UHFFFAOYSA-N 1 3 303.450 2.097 20 0 DEADHO CN(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCN(c2ccccc2)C1=O ZINC000903890447 643490214 /nfs/dbraw/zinc/49/02/14/643490214.db2.gz CBXHURKESVNDJB-YCXXCVGLSA-N 1 3 313.445 2.254 20 0 DEADHO Cc1c(C[C@@H](CN)C[N@H+](C)CCc2ccc(F)cc2)cnn1C ZINC000903885436 643496238 /nfs/dbraw/zinc/49/62/38/643496238.db2.gz HRWXJOAZYFPVNC-INIZCTEOSA-N 1 3 318.440 2.160 20 0 DEADHO Cc1c(C[C@@H](CN)C[N@@H+](C)CCc2ccc(F)cc2)cnn1C ZINC000903885436 643496240 /nfs/dbraw/zinc/49/62/40/643496240.db2.gz HRWXJOAZYFPVNC-INIZCTEOSA-N 1 3 318.440 2.160 20 0 DEADHO CCS[C@@H]1CCCC[N@H+](C[C@H](CN)Cc2cnn(C)c2C)C1 ZINC000903893192 643499137 /nfs/dbraw/zinc/49/91/37/643499137.db2.gz SCCCBRZGWZWJMP-DOTOQJQBSA-N 1 3 324.538 2.454 20 0 DEADHO CCS[C@@H]1CCCC[N@@H+](C[C@H](CN)Cc2cnn(C)c2C)C1 ZINC000903893192 643499142 /nfs/dbraw/zinc/49/91/42/643499142.db2.gz SCCCBRZGWZWJMP-DOTOQJQBSA-N 1 3 324.538 2.454 20 0 DEADHO CCS[C@@H]1CCCCN(C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903893192 643499147 /nfs/dbraw/zinc/49/91/47/643499147.db2.gz SCCCBRZGWZWJMP-DOTOQJQBSA-N 1 3 324.538 2.454 20 0 DEADHO CSc1ccc(CNC[C@@H](C[NH3+])Cc2cnn(C)c2C)cc1 ZINC000903927546 643511384 /nfs/dbraw/zinc/51/13/84/643511384.db2.gz SPYOWVPKOMDDNS-OAHLLOKOSA-N 1 3 318.490 2.358 20 0 DEADHO COc1cc(OC)c(CNCC[C@@H]2C[NH2+]C[C@H]2C)c(OC)c1 ZINC000903974565 643531844 /nfs/dbraw/zinc/53/18/44/643531844.db2.gz QOUPLGVCGPLCQI-CHWSQXEVSA-N 1 3 308.422 2.048 20 0 DEADHO COc1cc2c(cc1OC)CN(CC1CC[NH+](C)CC1)CC2 ZINC000788475234 643614010 /nfs/dbraw/zinc/61/40/10/643614010.db2.gz YHHBITDXBYQLJT-UHFFFAOYSA-N 1 3 304.434 2.404 20 0 DEADHO C[C@H](c1cccnc1)N1CCN(CC2CC[NH+](C)CC2)CC1 ZINC000788481810 643615764 /nfs/dbraw/zinc/61/57/64/643615764.db2.gz UTTQYNAHRBOAIY-MRXNPFEDSA-N 1 3 302.466 2.102 20 0 DEADHO CC(C)(C)CC[C@@H]([NH3+])CN1CCC(CN2CCOCC2)CC1 ZINC000904308862 643632333 /nfs/dbraw/zinc/63/23/33/643632333.db2.gz XTPVPGXEMBREPI-QGZVFWFLSA-N 1 3 311.514 2.184 20 0 DEADHO [NH3+]CC1(c2ccccc2)CCN(Cc2cnc3cnccn23)CC1 ZINC000904459087 643674951 /nfs/dbraw/zinc/67/49/51/643674951.db2.gz NPSNCUNOPCIZOI-UHFFFAOYSA-N 1 3 321.428 2.222 20 0 DEADHO CC(C)C[NH+]1CCC(NC[C@H](O)CC2(CO)CCCC2)CC1 ZINC000905066112 643785695 /nfs/dbraw/zinc/78/56/95/643785695.db2.gz NKXZGPCHJJBKOW-QGZVFWFLSA-N 1 3 312.498 2.000 20 0 DEADHO CCCCCCNC(=O)[C@@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000843060708 650881043 /nfs/dbraw/zinc/88/10/43/650881043.db2.gz MBLMZAXJPDBLLD-DLBZAZTESA-N 1 3 309.498 2.395 20 0 DEADHO C[N@H+](CCCNC[C@H](O)CCC1(O)CCC1)C1CCCCC1 ZINC000905904982 644079082 /nfs/dbraw/zinc/07/90/82/644079082.db2.gz MRSKOOMBEVLYLA-QGZVFWFLSA-N 1 3 312.498 2.287 20 0 DEADHO C[N@@H+](CCCNC[C@H](O)CCC1(O)CCC1)C1CCCCC1 ZINC000905904982 644079087 /nfs/dbraw/zinc/07/90/87/644079087.db2.gz MRSKOOMBEVLYLA-QGZVFWFLSA-N 1 3 312.498 2.287 20 0 DEADHO CC(C)(C(=O)NC1CC[NH+](CC2CC2)CC1)N1CCCCC1 ZINC000906327827 644212449 /nfs/dbraw/zinc/21/24/49/644212449.db2.gz VFTLYGYSGSSBEG-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO C[N@@H+]1CC[C@H](NCc2cccnc2-n2ccnc2)[C@@H]2CCC[C@@H]21 ZINC000796695511 644778181 /nfs/dbraw/zinc/77/81/81/644778181.db2.gz OOANATCCBJOAHW-ULQDDVLXSA-N 1 3 311.433 2.230 20 0 DEADHO C[N@H+]1CC[C@H](NCc2cccnc2-n2ccnc2)[C@@H]2CCC[C@@H]21 ZINC000796695511 644778187 /nfs/dbraw/zinc/77/81/87/644778187.db2.gz OOANATCCBJOAHW-ULQDDVLXSA-N 1 3 311.433 2.230 20 0 DEADHO CN1CC[C@H]([NH2+]Cc2cccnc2-n2ccnc2)[C@@H]2CCC[C@@H]21 ZINC000796695511 644778194 /nfs/dbraw/zinc/77/81/94/644778194.db2.gz OOANATCCBJOAHW-ULQDDVLXSA-N 1 3 311.433 2.230 20 0 DEADHO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(NC4=NCCC4)cc3)[C@@H]2C1 ZINC000908345333 644827055 /nfs/dbraw/zinc/82/70/55/644827055.db2.gz BSKVTWRZERUQHC-GDBMZVCRSA-N 1 3 312.417 2.067 20 0 DEADHO C[N@H+]1C[C@H]2CCN(C(=O)c3ccc(NC4=NCCC4)cc3)[C@@H]2C1 ZINC000908345333 644827056 /nfs/dbraw/zinc/82/70/56/644827056.db2.gz BSKVTWRZERUQHC-GDBMZVCRSA-N 1 3 312.417 2.067 20 0 DEADHO CC(C)[C@H](C(=O)OC[C@H]1CCC[N@@H+]1Cc1ccco1)N(C)C ZINC000798846398 645088343 /nfs/dbraw/zinc/08/83/43/645088343.db2.gz VZYXKBNEZAKXRA-GDBMZVCRSA-N 1 3 308.422 2.373 20 0 DEADHO CC(C)[C@H](C(=O)OC[C@H]1CCC[N@H+]1Cc1ccco1)N(C)C ZINC000798846398 645088349 /nfs/dbraw/zinc/08/83/49/645088349.db2.gz VZYXKBNEZAKXRA-GDBMZVCRSA-N 1 3 308.422 2.373 20 0 DEADHO CCCN(C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[C@@H]1CCN(C)C1 ZINC000843989381 651059526 /nfs/dbraw/zinc/05/95/26/651059526.db2.gz NSIQSKSRMHXFDW-RHSMWYFYSA-N 1 3 313.461 2.142 20 0 DEADHO CCCN(C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)[C@@H]1CCN(C)C1 ZINC000843989381 651059529 /nfs/dbraw/zinc/05/95/29/651059529.db2.gz NSIQSKSRMHXFDW-RHSMWYFYSA-N 1 3 313.461 2.142 20 0 DEADHO CC[N@@H+]1CCC[C@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810260894 646345465 /nfs/dbraw/zinc/34/54/65/646345465.db2.gz ADLXOZDISVCJQB-PBHICJAKSA-N 1 3 313.461 2.047 20 0 DEADHO CC[N@H+]1CCC[C@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810260894 646345471 /nfs/dbraw/zinc/34/54/71/646345471.db2.gz ADLXOZDISVCJQB-PBHICJAKSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810413513 646360158 /nfs/dbraw/zinc/36/01/58/646360158.db2.gz UZXYNENUWSFYHM-YOEHRIQHSA-N 1 3 313.461 2.190 20 0 DEADHO C[N@@H+]1CCC[C@@]2(CCN(CCC(=O)NCC3CCCCC3)C2)C1 ZINC000815145377 646980296 /nfs/dbraw/zinc/98/02/96/646980296.db2.gz ZTRPNHJWOQGUQL-LJQANCHMSA-N 1 3 321.509 2.491 20 0 DEADHO C[N@H+]1CCC[C@@]2(CCN(CCC(=O)NCC3CCCCC3)C2)C1 ZINC000815145377 646980300 /nfs/dbraw/zinc/98/03/00/646980300.db2.gz ZTRPNHJWOQGUQL-LJQANCHMSA-N 1 3 321.509 2.491 20 0 DEADHO CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC000992685875 647185461 /nfs/dbraw/zinc/18/54/61/647185461.db2.gz GUFHTFGQVVICIV-GVDBMIGSSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]21 ZINC000992725219 647196977 /nfs/dbraw/zinc/19/69/77/647196977.db2.gz ZLUCOWQMHNJUQL-BZUAXINKSA-N 1 3 307.482 2.096 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H](O)c1ccccc1C(F)(F)F ZINC000817889974 647371843 /nfs/dbraw/zinc/37/18/43/647371843.db2.gz RDKPKDVKGFNTCI-ZLKJLUDKSA-N 1 3 302.340 2.456 20 0 DEADHO COc1cccc([C@H](O)CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000817905624 647378596 /nfs/dbraw/zinc/37/85/96/647378596.db2.gz QLMRBNXQLYEJDI-WNRNVDISSA-N 1 3 304.434 2.239 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](O)c1cc(F)cc(Cl)c1 ZINC000817927910 647384379 /nfs/dbraw/zinc/38/43/79/647384379.db2.gz TWRJMSDZDYRLMF-KMUNFCNLSA-N 1 3 300.805 2.490 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H](O)c1cccc(Br)c1 ZINC000817929965 647385101 /nfs/dbraw/zinc/38/51/01/647385101.db2.gz WWSVFQDPISJFTR-FPMFFAJLSA-N 1 3 313.239 2.200 20 0 DEADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NC[C@@H]1CCC[NH2+]C1 ZINC000817945507 647390652 /nfs/dbraw/zinc/39/06/52/647390652.db2.gz FFNIANHOVDBIMQ-NWDGAFQWSA-N 1 3 310.829 2.041 20 0 DEADHO C[C@H](CC(=O)Nc1cccnc1Cl)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000817970332 647396836 /nfs/dbraw/zinc/39/68/36/647396836.db2.gz RMWXZGRTRREDCT-WOPDTQHZSA-N 1 3 310.829 2.312 20 0 DEADHO COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N)cc1Cn1cccn1 ZINC000817978140 647398591 /nfs/dbraw/zinc/39/85/91/647398591.db2.gz WXXPLCNRGRGURY-RDBSUJKOSA-N 1 3 302.422 2.326 20 0 DEADHO COCCC[NH+]1CCC(NC[C@@H](O)c2cc(C)cc(C)c2)CC1 ZINC000819007053 647562643 /nfs/dbraw/zinc/56/26/43/647562643.db2.gz QWEYMWNFFMHTFO-LJQANCHMSA-N 1 3 320.477 2.427 20 0 DEADHO C[C@H]1[C@@H](NC(=O)C23CCCN2CCC3)CCC[N@@H+]1CCC1CC1 ZINC000993534389 647692005 /nfs/dbraw/zinc/69/20/05/647692005.db2.gz XUFFBQQTTNFUHP-RDJZCZTQSA-N 1 3 319.493 2.384 20 0 DEADHO C[C@H]1[C@@H](NC(=O)C23CCCN2CCC3)CCC[N@H+]1CCC1CC1 ZINC000993534389 647692008 /nfs/dbraw/zinc/69/20/08/647692008.db2.gz XUFFBQQTTNFUHP-RDJZCZTQSA-N 1 3 319.493 2.384 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H]1C1CCC1 ZINC000820074015 647778671 /nfs/dbraw/zinc/77/86/71/647778671.db2.gz FQLOJWSDZSTACV-RDJZCZTQSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H]1C1CCC1 ZINC000820074015 647778677 /nfs/dbraw/zinc/77/86/77/647778677.db2.gz FQLOJWSDZSTACV-RDJZCZTQSA-N 1 3 324.513 2.233 20 0 DEADHO CO[C@@H]1CC[C@H](N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)C1 ZINC000821362240 648043519 /nfs/dbraw/zinc/04/35/19/648043519.db2.gz FCGQNJHKSYQCFC-ZJPYXAASSA-N 1 3 309.498 2.044 20 0 DEADHO CN(C)CCN(Cc1ccsc1)C(=O)CC[NH2+]C(C)(C)C ZINC000822468736 648214298 /nfs/dbraw/zinc/21/42/98/648214298.db2.gz LZGBJMIYBSNFSN-UHFFFAOYSA-N 1 3 311.495 2.417 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000825548027 648778925 /nfs/dbraw/zinc/77/89/25/648778925.db2.gz VEDLQYLLAJCCDH-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO C[N@H+]1CC=C(C[NH2+][C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)CC1 ZINC000826021621 648839803 /nfs/dbraw/zinc/83/98/03/648839803.db2.gz AOYABGXJGCVBGO-QGZVFWFLSA-N 1 3 324.432 2.096 20 0 DEADHO C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)CC1 ZINC000826021621 648839806 /nfs/dbraw/zinc/83/98/06/648839806.db2.gz AOYABGXJGCVBGO-QGZVFWFLSA-N 1 3 324.432 2.096 20 0 DEADHO C[N@H+]1CC=C(C[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)CC1 ZINC000826021621 648839809 /nfs/dbraw/zinc/83/98/09/648839809.db2.gz AOYABGXJGCVBGO-QGZVFWFLSA-N 1 3 324.432 2.096 20 0 DEADHO C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)CC1 ZINC000826021621 648839813 /nfs/dbraw/zinc/83/98/13/648839813.db2.gz AOYABGXJGCVBGO-QGZVFWFLSA-N 1 3 324.432 2.096 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC2)CC1(C)C ZINC000940736135 648935019 /nfs/dbraw/zinc/93/50/19/648935019.db2.gz ADEJKLGHAFKTEL-IRXDYDNUSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC2)CC1(C)C ZINC000940736135 648935020 /nfs/dbraw/zinc/93/50/20/648935020.db2.gz ADEJKLGHAFKTEL-IRXDYDNUSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000827078334 648967554 /nfs/dbraw/zinc/96/75/54/648967554.db2.gz MEIZPJVPZOZXQF-IRXDYDNUSA-N 1 3 307.482 2.382 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000827078334 648967557 /nfs/dbraw/zinc/96/75/57/648967557.db2.gz MEIZPJVPZOZXQF-IRXDYDNUSA-N 1 3 307.482 2.382 20 0 DEADHO CCc1ccc2nccc(NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)c2c1 ZINC000827496399 649043303 /nfs/dbraw/zinc/04/33/03/649043303.db2.gz JDIDHSRGFLFANC-JKSUJKDBSA-N 1 3 311.429 2.494 20 0 DEADHO CCc1ccc2nccc(NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)c2c1 ZINC000827496399 649043307 /nfs/dbraw/zinc/04/33/07/649043307.db2.gz JDIDHSRGFLFANC-JKSUJKDBSA-N 1 3 311.429 2.494 20 0 DEADHO CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)[C@@H](C)C1 ZINC000942053185 649143118 /nfs/dbraw/zinc/14/31/18/649143118.db2.gz KVSBYTVNMLPGON-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)[C@@H](C)C1 ZINC000942053185 649143121 /nfs/dbraw/zinc/14/31/21/649143121.db2.gz KVSBYTVNMLPGON-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc(N2CCNC2=O)cc1 ZINC000829747218 649349914 /nfs/dbraw/zinc/34/99/14/649349914.db2.gz VUBGDAOTIGUEFQ-HOCLYGCPSA-N 1 3 316.449 2.351 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C[C@H]1C ZINC000944447083 649527454 /nfs/dbraw/zinc/52/74/54/649527454.db2.gz XGHUOOGIMFLZDE-CZUORRHYSA-N 1 3 318.465 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C[C@H]1C ZINC000944447083 649527456 /nfs/dbraw/zinc/52/74/56/649527456.db2.gz XGHUOOGIMFLZDE-CZUORRHYSA-N 1 3 318.465 2.277 20 0 DEADHO CN1CC[C@H](NC(=O)NCCCCCC[NH3+])[C@H]1c1ccccc1 ZINC000831143360 649544033 /nfs/dbraw/zinc/54/40/33/649544033.db2.gz PSLGBVNXEQBUSB-DLBZAZTESA-N 1 3 318.465 2.250 20 0 DEADHO [NH3+]CCCCCCNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000831257673 649561424 /nfs/dbraw/zinc/56/14/24/649561424.db2.gz YUTDQDXWHLQOAK-UHFFFAOYSA-N 1 3 324.513 2.413 20 0 DEADHO C[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)N1CCCC1 ZINC000848986636 651572172 /nfs/dbraw/zinc/57/21/72/651572172.db2.gz OHOGQCVDWWOJOD-HIFRSBDPSA-N 1 3 302.422 2.108 20 0 DEADHO CCN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000855487541 651708617 /nfs/dbraw/zinc/70/86/17/651708617.db2.gz WUHMVIZWMZKEDE-RHSMWYFYSA-N 1 3 313.461 2.142 20 0 DEADHO CCN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[C@@H]1CC[N@@H+](CC)C1 ZINC000855487541 651708620 /nfs/dbraw/zinc/70/86/20/651708620.db2.gz WUHMVIZWMZKEDE-RHSMWYFYSA-N 1 3 313.461 2.142 20 0 DEADHO CN1CC[C@H]([NH2+]C[C@]23OCCC[C@H]2C3(F)F)[C@H]2CCC[C@H]21 ZINC000850532993 651947999 /nfs/dbraw/zinc/94/79/99/651947999.db2.gz QSEAYLLSEHWWRE-KHMAMNHCSA-N 1 3 300.393 2.263 20 0 DEADHO C[N@@H+]1CC[C@H](NC[C@]23OCCC[C@H]2C3(F)F)[C@H]2CCC[C@H]21 ZINC000850532993 651948008 /nfs/dbraw/zinc/94/80/08/651948008.db2.gz QSEAYLLSEHWWRE-KHMAMNHCSA-N 1 3 300.393 2.263 20 0 DEADHO C[N@H+]1CC[C@H](NC[C@]23OCCC[C@H]2C3(F)F)[C@H]2CCC[C@H]21 ZINC000850532993 651948011 /nfs/dbraw/zinc/94/80/11/651948011.db2.gz QSEAYLLSEHWWRE-KHMAMNHCSA-N 1 3 300.393 2.263 20 0 DEADHO CCOCC[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856599915 651955101 /nfs/dbraw/zinc/95/51/01/651955101.db2.gz ULBOQLBHVIXAMO-GOSISDBHSA-N 1 3 321.465 2.411 20 0 DEADHO CCOCC[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856599915 651955105 /nfs/dbraw/zinc/95/51/05/651955105.db2.gz ULBOQLBHVIXAMO-GOSISDBHSA-N 1 3 321.465 2.411 20 0 DEADHO CCCCCCNC(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000852753753 652450586 /nfs/dbraw/zinc/45/05/86/652450586.db2.gz HTBVXZCRAGLDGT-QGZVFWFLSA-N 1 3 309.498 2.395 20 0 DEADHO O=C(C=C1CC[NH2+]CC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000852860390 652471642 /nfs/dbraw/zinc/47/16/42/652471642.db2.gz PIAKPIHIOZFBKX-GOSISDBHSA-N 1 3 313.445 2.077 20 0 DEADHO CCCN1CCC([NH2+]C[C@@H](O)c2cc(OC)cc(OC)c2)CC1 ZINC000305157343 685279392 /nfs/dbraw/zinc/27/93/92/685279392.db2.gz WAGSNORGQRDTMA-GOSISDBHSA-N 1 3 322.449 2.201 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]([NH3+])CC1CC1 ZINC000382751560 685405715 /nfs/dbraw/zinc/40/57/15/685405715.db2.gz CBRBZFGCJKDXQZ-MAUKXSAKSA-N 1 3 315.461 2.237 20 0 DEADHO C[C@H]1[C@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000928442995 693780609 /nfs/dbraw/zinc/78/06/09/693780609.db2.gz CKCAOVCCQVFKAS-MAUKXSAKSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@H]1CCCN1CC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000073120579 683928466 /nfs/dbraw/zinc/92/84/66/683928466.db2.gz REFJKYPCPGLFTN-HNNXBMFYSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN(CC)CCNC(=[NH2+])Nc1cc(OC)ccc1OC ZINC000083052948 683996055 /nfs/dbraw/zinc/99/60/55/683996055.db2.gz ZBFPAMSRAZQFEF-UHFFFAOYSA-N 1 3 308.426 2.162 20 0 DEADHO CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001054045310 693820841 /nfs/dbraw/zinc/82/08/41/693820841.db2.gz OCJMVEPLRKAMOD-MSOLQXFVSA-N 1 3 315.461 2.034 20 0 DEADHO CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001054045310 693820845 /nfs/dbraw/zinc/82/08/45/693820845.db2.gz OCJMVEPLRKAMOD-MSOLQXFVSA-N 1 3 315.461 2.034 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127386289 684163266 /nfs/dbraw/zinc/16/32/66/684163266.db2.gz LRGFUWLBGDGMLR-KRWDZBQOSA-N 1 3 309.498 2.443 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccnc(Cl)c2)CC1 ZINC000155676546 684278092 /nfs/dbraw/zinc/27/80/92/684278092.db2.gz XTFFHJZAQYWBAE-KGLIPLIRSA-N 1 3 310.873 2.412 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CC)C2)C1 ZINC001054141866 693861347 /nfs/dbraw/zinc/86/13/47/693861347.db2.gz QIGJKMIXGKMIJJ-AEFFLSMTSA-N 1 3 307.482 2.195 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CC)C2)C1 ZINC001054141866 693861352 /nfs/dbraw/zinc/86/13/52/693861352.db2.gz QIGJKMIXGKMIJJ-AEFFLSMTSA-N 1 3 307.482 2.195 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CC)C2)C1 ZINC001054245613 693898726 /nfs/dbraw/zinc/89/87/26/693898726.db2.gz WWIBKQNCGCDAEP-FUHWJXTLSA-N 1 3 307.482 2.195 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CC)C2)C1 ZINC001054245613 693898728 /nfs/dbraw/zinc/89/87/28/693898728.db2.gz WWIBKQNCGCDAEP-FUHWJXTLSA-N 1 3 307.482 2.195 20 0 DEADHO CN(CCN1C[C@H]2CC[C@@H](C1)O2)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213577 685682031 /nfs/dbraw/zinc/68/20/31/685682031.db2.gz YEKPSWANIFPSSG-KDURUIRLSA-N 1 3 317.477 2.043 20 0 DEADHO CCN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000861889969 686200297 /nfs/dbraw/zinc/20/02/97/686200297.db2.gz ARJSMTGPSYUWAB-QGZVFWFLSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1[NH2+]CCC1CC1 ZINC001054648941 694014797 /nfs/dbraw/zinc/01/47/97/694014797.db2.gz KODPMVYGMWLVFL-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+][C@@H]2CCNC23CCC3)C1 ZINC000863481452 686508057 /nfs/dbraw/zinc/50/80/57/686508057.db2.gz DNQWBHJHZZAJSG-JHJVBQTASA-N 1 3 316.392 2.228 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000863653233 686541085 /nfs/dbraw/zinc/54/10/85/686541085.db2.gz GCMQXLLFOZJSNC-LRDDRELGSA-N 1 3 321.852 2.114 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CC1=CCCCC1 ZINC001054735579 694035472 /nfs/dbraw/zinc/03/54/72/694035472.db2.gz HFHHIPWSQWMSIS-YJBOKZPZSA-N 1 3 319.493 2.408 20 0 DEADHO C[C@H](CNC(=[NH2+])Nc1ccc(CCO)cc1)N1CCCC[C@H]1C ZINC000864452853 686725490 /nfs/dbraw/zinc/72/54/90/686725490.db2.gz KHSGXFBWXMHJGE-HUUCEWRRSA-N 1 3 318.465 2.421 20 0 DEADHO CN(C)Cc1cccc(NC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000864618836 686780668 /nfs/dbraw/zinc/78/06/68/686780668.db2.gz YGAZMEHZDBHQQB-ACHSLPGTSA-N 1 3 316.449 2.400 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H](F)CC)C1 ZINC001375538732 1158806860 /nfs/dbraw/zinc/80/68/60/1158806860.db2.gz OARQOBOQAOLNJI-YHUYYLMFSA-N 1 3 313.461 2.093 20 0 DEADHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1CCC2(COC2)O1 ZINC000930117322 694093716 /nfs/dbraw/zinc/09/37/16/694093716.db2.gz KHBMTZGYFOOBQB-KRWDZBQOSA-N 1 3 304.434 2.128 20 0 DEADHO CN(C)c1ccc(F)cc1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000865552058 687257711 /nfs/dbraw/zinc/25/77/11/687257711.db2.gz JXJRBYNARQCPDW-UHFFFAOYSA-N 1 3 322.472 2.007 20 0 DEADHO Cc1cc(C)nc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000930134681 694097457 /nfs/dbraw/zinc/09/74/57/694097457.db2.gz ADHZIHHPYISPQL-LPHOPBHVSA-N 1 3 316.493 2.156 20 0 DEADHO Cc1cc(C)nc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000930134681 694097461 /nfs/dbraw/zinc/09/74/61/694097461.db2.gz ADHZIHHPYISPQL-LPHOPBHVSA-N 1 3 316.493 2.156 20 0 DEADHO C[C@H](CCc1cccnc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000866351484 687544406 /nfs/dbraw/zinc/54/44/06/687544406.db2.gz AOQIBULUWMOAPG-MRXNPFEDSA-N 1 3 304.482 2.018 20 0 DEADHO Cc1cc(CN2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c(C)s1 ZINC001016249912 687570871 /nfs/dbraw/zinc/57/08/71/687570871.db2.gz KWHZECMKOAUSCF-GOEBONIOSA-N 1 3 321.490 2.007 20 0 DEADHO Cc1cc(CN2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c(C)s1 ZINC001016249912 687570877 /nfs/dbraw/zinc/57/08/77/687570877.db2.gz KWHZECMKOAUSCF-GOEBONIOSA-N 1 3 321.490 2.007 20 0 DEADHO CCN1CC[C@H]([NH2+]Cc2cc3c([nH]c2=O)CCCC3)[C@@H](C)C1 ZINC000866641100 687636539 /nfs/dbraw/zinc/63/65/39/687636539.db2.gz OOTFIVADXWHLGR-BBRMVZONSA-N 1 3 303.450 2.486 20 0 DEADHO CNC(=O)c1ccc(CN2CC[C@](C[NH3+])(C(C)(C)C)C2)cc1 ZINC000866707153 687660557 /nfs/dbraw/zinc/66/05/57/687660557.db2.gz SUPITDOUFLFKJH-GOSISDBHSA-N 1 3 303.450 2.243 20 0 DEADHO CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001017610990 687924650 /nfs/dbraw/zinc/92/46/50/687924650.db2.gz KDKQTNXLYWTSCF-KURKYZTESA-N 1 3 321.509 2.440 20 0 DEADHO CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001017610990 687924654 /nfs/dbraw/zinc/92/46/54/687924654.db2.gz KDKQTNXLYWTSCF-KURKYZTESA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001017657826 687934113 /nfs/dbraw/zinc/93/41/13/687934113.db2.gz TVRIBIQSDLXICH-CALCHBBNSA-N 1 3 319.493 2.194 20 0 DEADHO CCc1cccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c1 ZINC001018626879 688188141 /nfs/dbraw/zinc/18/81/41/688188141.db2.gz BVTSRFHHNWXVMJ-ROUUACIJSA-N 1 3 315.461 2.034 20 0 DEADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1)c1ccccc1 ZINC001018971628 688264571 /nfs/dbraw/zinc/26/45/71/688264571.db2.gz LFVDJTQZPZSKOK-RDJZCZTQSA-N 1 3 315.461 2.422 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(C)c(F)c2)C1)N(C)C ZINC001019394942 688346228 /nfs/dbraw/zinc/34/62/28/688346228.db2.gz RXDIAQMGGSRRIR-RDJZCZTQSA-N 1 3 321.440 2.165 20 0 DEADHO Cc1cccc([C@H](C)[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001019436046 688356925 /nfs/dbraw/zinc/35/69/25/688356925.db2.gz QXQHGVOOTWQKNL-HOCLYGCPSA-N 1 3 312.417 2.212 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCC2)C1 ZINC001019820330 688413225 /nfs/dbraw/zinc/41/32/25/688413225.db2.gz GLCQVCBCUGNGLV-DLBZAZTESA-N 1 3 307.482 2.242 20 0 DEADHO CN(CC(=O)N1CC[C@H](C[N@H+](C)CC2CCC2)C1)C1CCC1 ZINC001029755141 688573326 /nfs/dbraw/zinc/57/33/26/688573326.db2.gz JFJAJOAELKUEEO-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CN(CC(=O)N1CC[C@H](C[N@@H+](C)CC2CCC2)C1)C1CCC1 ZINC001029755141 688573329 /nfs/dbraw/zinc/57/33/29/688573329.db2.gz JFJAJOAELKUEEO-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000870854183 688667597 /nfs/dbraw/zinc/66/75/97/688667597.db2.gz NXHJJAQVIXRIGP-ZOMKSWQUSA-N 1 3 319.474 2.129 20 0 DEADHO [NH3+][C@H]1CC[C@H](C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000870853893 688667730 /nfs/dbraw/zinc/66/77/30/688667730.db2.gz HHTQSMZHPFBINN-KZNAEPCWSA-N 1 3 315.461 2.457 20 0 DEADHO [NH3+][C@H]1CC[C@@H](C(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000870862959 688670172 /nfs/dbraw/zinc/67/01/72/688670172.db2.gz IOVORGWOMCIJNF-FGTMMUONSA-N 1 3 315.461 2.457 20 0 DEADHO [NH3+][C@H]1CC[C@@H](C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000870864955 688670946 /nfs/dbraw/zinc/67/09/46/688670946.db2.gz SJPLRLVRIISRBV-KSZLIROESA-N 1 3 315.461 2.285 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CC[NH2+]CC2CC2)C1 ZINC000870872721 688673852 /nfs/dbraw/zinc/67/38/52/688673852.db2.gz HJDVJKZZRYUIDB-QAPCUYQASA-N 1 3 315.461 2.328 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870902430 688681503 /nfs/dbraw/zinc/68/15/03/688681503.db2.gz SJSZWFGELJFEJO-UHFFFAOYSA-N 1 3 321.490 2.171 20 0 DEADHO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C[C@@H](N)c2ccccc2)C1 ZINC000870992144 688706021 /nfs/dbraw/zinc/70/60/21/688706021.db2.gz IXHFEWHWANLACO-QAPCUYQASA-N 1 3 303.450 2.300 20 0 DEADHO C[C@H]1C[C@@H](C(=O)NCC2CN(CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001031920999 689021033 /nfs/dbraw/zinc/02/10/33/689021033.db2.gz DWHWUGXQIDZGQP-YJBOKZPZSA-N 1 3 319.493 2.265 20 0 DEADHO C[C@H]1C[C@@H](C(=O)NCC2CN(CC3=CCCCC3)C2)CC[N@H+]1C ZINC001031920999 689021036 /nfs/dbraw/zinc/02/10/36/689021036.db2.gz DWHWUGXQIDZGQP-YJBOKZPZSA-N 1 3 319.493 2.265 20 0 DEADHO CC(C)CC[NH+]1CC(CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001032026407 689044825 /nfs/dbraw/zinc/04/48/25/689044825.db2.gz DNXMWYQLIPCFKY-QGZVFWFLSA-N 1 3 309.498 2.343 20 0 DEADHO O=C1CC[C@@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CCN1 ZINC000873029722 689144138 /nfs/dbraw/zinc/14/41/38/689144138.db2.gz PGDDVNNSUXBDFP-MRXNPFEDSA-N 1 3 307.482 2.289 20 0 DEADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001032471796 689159493 /nfs/dbraw/zinc/15/94/93/689159493.db2.gz FVXUIHVNTWROKS-IRXDYDNUSA-N 1 3 319.493 2.194 20 0 DEADHO c1c(CN2CCC(O[C@H]3CCOC3)CC2)sc2c1C[NH2+]CC2 ZINC000873210014 689184602 /nfs/dbraw/zinc/18/46/02/689184602.db2.gz XLCGMQZCIVUPSY-HNNXBMFYSA-N 1 3 322.474 2.164 20 0 DEADHO Cc1ccncc1[C@@H](C)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873242836 689191796 /nfs/dbraw/zinc/19/17/96/689191796.db2.gz GDVLSQUKAAQENW-CQSZACIVSA-N 1 3 322.416 2.280 20 0 DEADHO c1csc([C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2nnc[n-]2)c1 ZINC000873261682 689196623 /nfs/dbraw/zinc/19/66/23/689196623.db2.gz QLOBFSDHABYUCA-OPDFLTKYSA-N 1 3 303.435 2.076 20 0 DEADHO [NH3+]C[C@H]1CCC[C@H]1N[C@H]1C[C@H](C(=O)OCc2ccccc2)C1 ZINC000873274420 689200057 /nfs/dbraw/zinc/20/00/57/689200057.db2.gz UVWVLGDNTGVOCS-QBPKDAKJSA-N 1 3 302.418 2.225 20 0 DEADHO NC[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](C(=O)OCc2ccccc2)C1 ZINC000873274420 689200061 /nfs/dbraw/zinc/20/00/61/689200061.db2.gz UVWVLGDNTGVOCS-QBPKDAKJSA-N 1 3 302.418 2.225 20 0 DEADHO c1cnc2cccc(CN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)c2c1 ZINC000873284972 689202835 /nfs/dbraw/zinc/20/28/35/689202835.db2.gz WJYFWOLMJCFSGH-NZSAHSFTSA-N 1 3 311.429 2.482 20 0 DEADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001032664997 689217945 /nfs/dbraw/zinc/21/79/45/689217945.db2.gz VBGWWGMNSJWKDK-IKGGRYGDSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033069052 689375398 /nfs/dbraw/zinc/37/53/98/689375398.db2.gz GNVKTBZRBXKUEV-SJORKVTESA-N 1 3 307.482 2.358 20 0 DEADHO CC(C)=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033069052 689375400 /nfs/dbraw/zinc/37/54/00/689375400.db2.gz GNVKTBZRBXKUEV-SJORKVTESA-N 1 3 307.482 2.358 20 0 DEADHO O=C(CN1CCCC1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000874321188 689388723 /nfs/dbraw/zinc/38/87/23/689388723.db2.gz FZKLWTPCNHXPEH-UHFFFAOYSA-N 1 3 307.482 2.197 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001033295577 689451812 /nfs/dbraw/zinc/45/18/12/689451812.db2.gz MISRIKRUGLWROF-IRXDYDNUSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001033295577 689451813 /nfs/dbraw/zinc/45/18/13/689451813.db2.gz MISRIKRUGLWROF-IRXDYDNUSA-N 1 3 307.482 2.050 20 0 DEADHO CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001033415912 689493514 /nfs/dbraw/zinc/49/35/14/689493514.db2.gz MMTMFTNYYNADRM-RHSMWYFYSA-N 1 3 313.461 2.142 20 0 DEADHO CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001033415912 689493516 /nfs/dbraw/zinc/49/35/16/689493516.db2.gz MMTMFTNYYNADRM-RHSMWYFYSA-N 1 3 313.461 2.142 20 0 DEADHO CC[C@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001033588820 689552763 /nfs/dbraw/zinc/55/27/63/689552763.db2.gz LCFBAVQZWGODAG-KBPBESRZSA-N 1 3 306.454 2.266 20 0 DEADHO CC[C@H](C)C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001033588820 689552764 /nfs/dbraw/zinc/55/27/64/689552764.db2.gz LCFBAVQZWGODAG-KBPBESRZSA-N 1 3 306.454 2.266 20 0 DEADHO CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033683473 689583493 /nfs/dbraw/zinc/58/34/93/689583493.db2.gz HGEGXGRLESOBKM-QGZVFWFLSA-N 1 3 303.450 2.305 20 0 DEADHO CCC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033683473 689583495 /nfs/dbraw/zinc/58/34/95/689583495.db2.gz HGEGXGRLESOBKM-QGZVFWFLSA-N 1 3 303.450 2.305 20 0 DEADHO CN(C)Cc1cccc(C(=O)N(C)[C@H]2CC[N@H+](CCCF)C2)c1 ZINC001033683571 689583577 /nfs/dbraw/zinc/58/35/77/689583577.db2.gz HXRLVZZXTYGVSH-KRWDZBQOSA-N 1 3 321.440 2.254 20 0 DEADHO CN(C)Cc1cccc(C(=O)N(C)[C@H]2CC[N@@H+](CCCF)C2)c1 ZINC001033683571 689583580 /nfs/dbraw/zinc/58/35/80/689583580.db2.gz HXRLVZZXTYGVSH-KRWDZBQOSA-N 1 3 321.440 2.254 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001034340508 689815342 /nfs/dbraw/zinc/81/53/42/689815342.db2.gz PQUDKXBKAGYLFE-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001034340508 689815346 /nfs/dbraw/zinc/81/53/46/689815346.db2.gz PQUDKXBKAGYLFE-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000876709395 689911496 /nfs/dbraw/zinc/91/14/96/689911496.db2.gz QPBMSLIXXKUSKY-VNHYZAJKSA-N 1 3 321.490 2.375 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)CC[NH2+]CC1CC1 ZINC000876728680 689918158 /nfs/dbraw/zinc/91/81/58/689918158.db2.gz SCIIZBTYNJWMRU-UHFFFAOYSA-N 1 3 305.422 2.085 20 0 DEADHO C[C@H](CNC(=O)/C=C\[C@@H]1CCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000876765640 689930293 /nfs/dbraw/zinc/93/02/93/689930293.db2.gz WBRUVSFBKAWRPN-LXHGKFCDSA-N 1 3 315.461 2.179 20 0 DEADHO CCN1CC[C@H](C[NH2+]CC(C)(C)CNC(=O)OC(C)(C)C)C1 ZINC000876942858 689979063 /nfs/dbraw/zinc/97/90/63/689979063.db2.gz HHQNPWLGZXLRGX-CQSZACIVSA-N 1 3 313.486 2.469 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1)C1CC1 ZINC001034961409 689999519 /nfs/dbraw/zinc/99/95/19/689999519.db2.gz QZWGIESAUNDZGR-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000877030551 690002248 /nfs/dbraw/zinc/00/22/48/690002248.db2.gz IIZNBVRJXDGVBO-GZOSKZMVSA-N 1 3 313.445 2.127 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2)C1 ZINC001035048885 690021265 /nfs/dbraw/zinc/02/12/65/690021265.db2.gz JAXVGVPBBDKUGG-FUHWJXTLSA-N 1 3 315.461 2.109 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N2CCCCC[C@@H]([NH3+])C2)cc(Cl)n1 ZINC000877126576 690024520 /nfs/dbraw/zinc/02/45/20/690024520.db2.gz OCGBXOMEUUTXFY-ZIAGYGMSSA-N 1 3 324.856 2.163 20 0 DEADHO CC(C)[NH2+]C[C@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001035133133 690034697 /nfs/dbraw/zinc/03/46/97/690034697.db2.gz OGSHHDQTYUKXDY-QGZVFWFLSA-N 1 3 303.450 2.351 20 0 DEADHO C[NH+]1CCC2(CCN(C(=O)c3ccc4c(c3)CNC4)CC2)CC1 ZINC000877192873 690042633 /nfs/dbraw/zinc/04/26/33/690042633.db2.gz SBDIWDIDRNRJKD-UHFFFAOYSA-N 1 3 313.445 2.238 20 0 DEADHO CC[C@H](C(=O)N1CCC2(CC[N@H+](CC(C)C)C2)CC1)N(C)C ZINC001035196875 690056766 /nfs/dbraw/zinc/05/67/66/690056766.db2.gz FOBASALHEWGNOJ-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C(=O)N1CCC2(CC[N@@H+](CC(C)C)C2)CC1)N(C)C ZINC001035196875 690056768 /nfs/dbraw/zinc/05/67/68/690056768.db2.gz FOBASALHEWGNOJ-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001035254960 690074825 /nfs/dbraw/zinc/07/48/25/690074825.db2.gz WCDPIWRFYBZERM-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO CC(C)C[N@H+]1CCC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001035254960 690074829 /nfs/dbraw/zinc/07/48/29/690074829.db2.gz WCDPIWRFYBZERM-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC2(CC[N@H+](CC)C2)CC1 ZINC001035257903 690075721 /nfs/dbraw/zinc/07/57/21/690075721.db2.gz ALRAKXNXBDCTLP-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC2(CC[N@@H+](CC)C2)CC1 ZINC001035257903 690075725 /nfs/dbraw/zinc/07/57/25/690075725.db2.gz ALRAKXNXBDCTLP-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO O=C(N[C@]12CCC[C@H]1[NH2+]CC2)c1cccc(CN2CCCC2)c1 ZINC000877392847 690099039 /nfs/dbraw/zinc/09/90/39/690099039.db2.gz USHQWPZFUDYVGM-MJGOQNOKSA-N 1 3 313.445 2.297 20 0 DEADHO COC(=O)c1cc(CN2CCCC3(CC[NH+](C)CC3)C2)[nH]c1C ZINC000877496148 690131375 /nfs/dbraw/zinc/13/13/75/690131375.db2.gz MJOWNGJWLCLIMF-UHFFFAOYSA-N 1 3 319.449 2.418 20 0 DEADHO CCCC[NH+]1CC2(C1)CCN(C(=O)[C@H](C(C)C)N(C)C)CC2 ZINC001035727136 690162368 /nfs/dbraw/zinc/16/23/68/690162368.db2.gz NNJVQHKTNYLXCB-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)CN1CCC[C@H]1C)CC2 ZINC001035797748 690179130 /nfs/dbraw/zinc/17/91/30/690179130.db2.gz HZMXTNWSYHWCTJ-DLBZAZTESA-N 1 3 321.509 2.441 20 0 DEADHO COc1cccc(C)c1C[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000877746262 690214265 /nfs/dbraw/zinc/21/42/65/690214265.db2.gz KDXFCBFXPVKPOK-UHFFFAOYSA-N 1 3 317.477 2.215 20 0 DEADHO CN(CC(C[N@H+](C)CC(C)(C)O)C1CCCC1)CC(C)(C)O ZINC000878108441 690312685 /nfs/dbraw/zinc/31/26/85/690312685.db2.gz JUXLCQZLYCCWOP-UHFFFAOYSA-N 1 3 314.514 2.198 20 0 DEADHO CN(CC(C[N@@H+](C)CC(C)(C)O)C1CCCC1)CC(C)(C)O ZINC000878108441 690312687 /nfs/dbraw/zinc/31/26/87/690312687.db2.gz JUXLCQZLYCCWOP-UHFFFAOYSA-N 1 3 314.514 2.198 20 0 DEADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@@H]1[NH2+]CCF ZINC001036305513 690316433 /nfs/dbraw/zinc/31/64/33/690316433.db2.gz UHBQEPLIRBPMFL-PBHICJAKSA-N 1 3 321.440 2.158 20 0 DEADHO CN1CCCC[C@@H]1CC[N@H+](C)C[C@@H](O)CC1(O)CCCCC1 ZINC000878134780 690320743 /nfs/dbraw/zinc/32/07/43/690320743.db2.gz GYBWURNSNBHBTH-SJORKVTESA-N 1 3 312.498 2.239 20 0 DEADHO CN1CCCC[C@@H]1CC[N@@H+](C)C[C@@H](O)CC1(O)CCCCC1 ZINC000878134780 690320744 /nfs/dbraw/zinc/32/07/44/690320744.db2.gz GYBWURNSNBHBTH-SJORKVTESA-N 1 3 312.498 2.239 20 0 DEADHO C[C@H]([NH2+]CC1CC1)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001036413431 690345374 /nfs/dbraw/zinc/34/53/74/690345374.db2.gz OBEXSPXNPAAANY-GOEBONIOSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1CCN(CC(=O)NC2CC[NH+](C)CC2)CC12CCCCC2 ZINC000878437277 690407248 /nfs/dbraw/zinc/40/72/48/690407248.db2.gz UAEIQNCICQGEEL-INIZCTEOSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@@H]21 ZINC001036736416 690453002 /nfs/dbraw/zinc/45/30/02/690453002.db2.gz ZPDOWQWQQRKOIR-HOTGVXAUSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)C[N@H+]1CC[C@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@@H]21 ZINC001036736416 690453005 /nfs/dbraw/zinc/45/30/05/690453005.db2.gz ZPDOWQWQQRKOIR-HOTGVXAUSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@H]2CN(C(=O)CN(C)C3CCC3)CC[C@H]21 ZINC001036736624 690453467 /nfs/dbraw/zinc/45/34/67/690453467.db2.gz CNYIMELZSYOSMH-FUHWJXTLSA-N 1 3 319.493 2.360 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)C3CCC3)CC[C@H]21 ZINC001036736624 690453469 /nfs/dbraw/zinc/45/34/69/690453469.db2.gz CNYIMELZSYOSMH-FUHWJXTLSA-N 1 3 319.493 2.360 20 0 DEADHO CCC(C)(C)NC(=O)[C@H](C)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248817 690602667 /nfs/dbraw/zinc/60/26/67/690602667.db2.gz VCQPZZFXVGWYGP-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CCCC1 ZINC001038239657 690752883 /nfs/dbraw/zinc/75/28/83/690752883.db2.gz MWARYVRRSGCTFS-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CCCC1 ZINC001038239657 690752885 /nfs/dbraw/zinc/75/28/85/690752885.db2.gz MWARYVRRSGCTFS-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN1CC1CCCC1 ZINC001038444358 690824865 /nfs/dbraw/zinc/82/48/65/690824865.db2.gz MBJCLFIUJLYLCV-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN1CC1CCCC1 ZINC001038444358 690824869 /nfs/dbraw/zinc/82/48/69/690824869.db2.gz MBJCLFIUJLYLCV-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CCN2CC2CCC2)C1 ZINC001038623241 690878954 /nfs/dbraw/zinc/87/89/54/690878954.db2.gz KANJXTKBBXJEOZ-IRXDYDNUSA-N 1 3 307.482 2.099 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CCN2CC2CCC2)C1 ZINC001038623241 690878955 /nfs/dbraw/zinc/87/89/55/690878955.db2.gz KANJXTKBBXJEOZ-IRXDYDNUSA-N 1 3 307.482 2.099 20 0 DEADHO Cc1cc(CN2CCC(O)(C[NH+](C)C)CC2)c2ccccc2n1 ZINC000931485450 694409569 /nfs/dbraw/zinc/40/95/69/694409569.db2.gz IPEJJJJEEXUIHN-UHFFFAOYSA-N 1 3 313.445 2.432 20 0 DEADHO CCc1cccc(OCCN2CCC(O)(C[NH+](C)C)CC2)c1 ZINC000931487698 694410461 /nfs/dbraw/zinc/41/04/61/694410461.db2.gz HCHFCPPOELADEF-UHFFFAOYSA-N 1 3 306.450 2.016 20 0 DEADHO C[NH+](C)CC1(O)CCN(CCSc2ccc(F)cc2)CC1 ZINC000931479740 694408364 /nfs/dbraw/zinc/40/83/64/694408364.db2.gz AEAFHCNJQFSXLB-UHFFFAOYSA-N 1 3 312.454 2.306 20 0 DEADHO CCCOc1cccc(CN2CCC(O)(C[NH+](C)C)CC2)c1 ZINC000931482248 694409053 /nfs/dbraw/zinc/40/90/53/694409053.db2.gz SRYVFMLASSPSFT-UHFFFAOYSA-N 1 3 306.450 2.364 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC([C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001039127849 691028150 /nfs/dbraw/zinc/02/81/50/691028150.db2.gz UAXKVYNEWDQTDW-ZWKOTPCHSA-N 1 3 319.493 2.051 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC([C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001039127849 691028151 /nfs/dbraw/zinc/02/81/51/691028151.db2.gz UAXKVYNEWDQTDW-ZWKOTPCHSA-N 1 3 319.493 2.051 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001039132922 691030004 /nfs/dbraw/zinc/03/00/04/691030004.db2.gz CYURTYRPHXFPDU-QZTJIDSGSA-N 1 3 321.509 2.296 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001039132922 691030007 /nfs/dbraw/zinc/03/00/07/691030007.db2.gz CYURTYRPHXFPDU-QZTJIDSGSA-N 1 3 321.509 2.296 20 0 DEADHO CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039173072 691038941 /nfs/dbraw/zinc/03/89/41/691038941.db2.gz MSSYXCHCAHWZGF-KRWDZBQOSA-N 1 3 307.482 2.053 20 0 DEADHO CCC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039173072 691038945 /nfs/dbraw/zinc/03/89/45/691038945.db2.gz MSSYXCHCAHWZGF-KRWDZBQOSA-N 1 3 307.482 2.053 20 0 DEADHO CC(C)[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039240079 691064836 /nfs/dbraw/zinc/06/48/36/691064836.db2.gz WGDAEMKXZPODTC-HOCLYGCPSA-N 1 3 304.438 2.064 20 0 DEADHO CC(C)[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039240079 691064842 /nfs/dbraw/zinc/06/48/42/691064842.db2.gz WGDAEMKXZPODTC-HOCLYGCPSA-N 1 3 304.438 2.064 20 0 DEADHO CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN1C(C)C ZINC001039373854 691091708 /nfs/dbraw/zinc/09/17/08/691091708.db2.gz RDKVPQDDHJWXBJ-IKGGRYGDSA-N 1 3 307.482 2.335 20 0 DEADHO CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN1C(C)C ZINC001039373854 691091709 /nfs/dbraw/zinc/09/17/09/691091709.db2.gz RDKVPQDDHJWXBJ-IKGGRYGDSA-N 1 3 307.482 2.335 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)N(C)C ZINC001039431453 691104673 /nfs/dbraw/zinc/10/46/73/691104673.db2.gz BTGUAKKPCGFLIT-IXDOHACOSA-N 1 3 309.498 2.294 20 0 DEADHO CC(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)N(C)C ZINC001039431453 691104675 /nfs/dbraw/zinc/10/46/75/691104675.db2.gz BTGUAKKPCGFLIT-IXDOHACOSA-N 1 3 309.498 2.294 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CC2)CC[N@@H+]1C ZINC001039592366 691133285 /nfs/dbraw/zinc/13/32/85/691133285.db2.gz FGXVCQHZMPKNQJ-XWTMOSNGSA-N 1 3 319.493 2.192 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CC2)CC[N@H+]1C ZINC001039592366 691133289 /nfs/dbraw/zinc/13/32/89/691133289.db2.gz FGXVCQHZMPKNQJ-XWTMOSNGSA-N 1 3 319.493 2.192 20 0 DEADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001039914756 691163068 /nfs/dbraw/zinc/16/30/68/691163068.db2.gz YXXAVWLTTPKFNT-OWLYRPNTSA-N 1 3 319.493 2.050 20 0 DEADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001039914756 691163071 /nfs/dbraw/zinc/16/30/71/691163071.db2.gz YXXAVWLTTPKFNT-OWLYRPNTSA-N 1 3 319.493 2.050 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001040241531 691219438 /nfs/dbraw/zinc/21/94/38/691219438.db2.gz OVOAEUNYXQDPEV-SJLPKXTDSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001040241531 691219440 /nfs/dbraw/zinc/21/94/40/691219440.db2.gz OVOAEUNYXQDPEV-SJLPKXTDSA-N 1 3 307.482 2.050 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)C1 ZINC001040395338 691242243 /nfs/dbraw/zinc/24/22/43/691242243.db2.gz OHNXZPWGYVQQOP-LPHOPBHVSA-N 1 3 319.493 2.053 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)C1 ZINC001040395338 691242246 /nfs/dbraw/zinc/24/22/46/691242246.db2.gz OHNXZPWGYVQQOP-LPHOPBHVSA-N 1 3 319.493 2.053 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CCC1)C2)N(C)C ZINC001040400348 691243006 /nfs/dbraw/zinc/24/30/06/691243006.db2.gz SOMYBVDCMXIAHN-PKOBYXMFSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CCC1)C2)N(C)C ZINC001040400348 691243010 /nfs/dbraw/zinc/24/30/10/691243010.db2.gz SOMYBVDCMXIAHN-PKOBYXMFSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041352778 691365405 /nfs/dbraw/zinc/36/54/05/691365405.db2.gz BOGGFGYFKBYYJU-SFHVURJKSA-N 1 3 319.493 2.361 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041352778 691365409 /nfs/dbraw/zinc/36/54/09/691365409.db2.gz BOGGFGYFKBYYJU-SFHVURJKSA-N 1 3 319.493 2.361 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001041646430 691404877 /nfs/dbraw/zinc/40/48/77/691404877.db2.gz QRMJBYMAGWJKAX-SJLPKXTDSA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001041646430 691404879 /nfs/dbraw/zinc/40/48/79/691404879.db2.gz QRMJBYMAGWJKAX-SJLPKXTDSA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001041672249 691407552 /nfs/dbraw/zinc/40/75/52/691407552.db2.gz PMXIJCTWCBGWGI-SFHVURJKSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[N@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001041672249 691407555 /nfs/dbraw/zinc/40/75/55/691407555.db2.gz PMXIJCTWCBGWGI-SFHVURJKSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001041675177 691408968 /nfs/dbraw/zinc/40/89/68/691408968.db2.gz NWFVQAHJCSDWIF-HKUYNNGSSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)CC[N@H+]1CC[C@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001041675177 691408972 /nfs/dbraw/zinc/40/89/72/691408972.db2.gz NWFVQAHJCSDWIF-HKUYNNGSSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001041724059 691417429 /nfs/dbraw/zinc/41/74/29/691417429.db2.gz NIAHZWFRAGQPAB-SJLPKXTDSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001041724059 691417432 /nfs/dbraw/zinc/41/74/32/691417432.db2.gz NIAHZWFRAGQPAB-SJLPKXTDSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001042063269 691495067 /nfs/dbraw/zinc/49/50/67/691495067.db2.gz TYHUBKXGTPKPDD-HOTGVXAUSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001042063269 691495069 /nfs/dbraw/zinc/49/50/69/691495069.db2.gz TYHUBKXGTPKPDD-HOTGVXAUSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000884176872 691674349 /nfs/dbraw/zinc/67/43/49/691674349.db2.gz SPVBSTTZJAKVPQ-HOTGVXAUSA-N 1 3 305.466 2.415 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000884200646 691680405 /nfs/dbraw/zinc/68/04/05/691680405.db2.gz HGQXWUBMDUCOER-KBRIMQKVSA-N 1 3 301.434 2.066 20 0 DEADHO N[C@H](CC1CC1)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000884319459 691708939 /nfs/dbraw/zinc/70/89/39/691708939.db2.gz VMLOODXZFUYAKC-QGZVFWFLSA-N 1 3 307.482 2.228 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001044959392 691919709 /nfs/dbraw/zinc/91/97/09/691919709.db2.gz GVSAQRFSWDACBG-HOTGVXAUSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1)N(C)C ZINC001045186180 691948644 /nfs/dbraw/zinc/94/86/44/691948644.db2.gz AAAUWBQSHBTQMR-ZWKOTPCHSA-N 1 3 317.477 2.353 20 0 DEADHO CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)C1CCC1)C2 ZINC001045943713 692058571 /nfs/dbraw/zinc/05/85/71/692058571.db2.gz NCQVIIICGVWLOG-SFHVURJKSA-N 1 3 307.482 2.195 20 0 DEADHO CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)C1CCC1)C2 ZINC001045943713 692058575 /nfs/dbraw/zinc/05/85/75/692058575.db2.gz NCQVIIICGVWLOG-SFHVURJKSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001045942876 692058868 /nfs/dbraw/zinc/05/88/68/692058868.db2.gz BWVDUAXWGXJVSM-IEBWSBKVSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001045942876 692058869 /nfs/dbraw/zinc/05/88/69/692058869.db2.gz BWVDUAXWGXJVSM-IEBWSBKVSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[C@H](NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cnn(C)c1 ZINC000886526958 692101864 /nfs/dbraw/zinc/10/18/64/692101864.db2.gz VZOLXPWXBVIEOQ-ROUUACIJSA-N 1 3 320.481 2.350 20 0 DEADHO C([C@@H]1CCC2(CCOCC2)O1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886876175 692218667 /nfs/dbraw/zinc/21/86/67/692218667.db2.gz SLNOXLXRUYIPKY-DLBZAZTESA-N 1 3 308.466 2.180 20 0 DEADHO CC[NH+]1CCC([C@H]2CCCN(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001047255531 692403279 /nfs/dbraw/zinc/40/32/79/692403279.db2.gz ARKOQCMBVLSWMQ-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+](CCC(C)(C)C)C[C@@H]3C2)CCC1 ZINC001048859990 692712324 /nfs/dbraw/zinc/71/23/24/692712324.db2.gz BUGOFISJVKFNHB-IYBDPMFKSA-N 1 3 321.509 2.297 20 0 DEADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+](CCC(C)(C)C)C[C@@H]3C2)CCC1 ZINC001048859990 692712327 /nfs/dbraw/zinc/71/23/27/692712327.db2.gz BUGOFISJVKFNHB-IYBDPMFKSA-N 1 3 321.509 2.297 20 0 DEADHO Cc1cc(C(F)(F)F)nn1CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000903164121 693026873 /nfs/dbraw/zinc/02/68/73/693026873.db2.gz LPQWJBJRNKVVAA-OLZOCXBDSA-N 1 3 316.371 2.427 20 0 DEADHO Cc1cc(C(F)(F)F)nn1CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000903164121 693026877 /nfs/dbraw/zinc/02/68/77/693026877.db2.gz LPQWJBJRNKVVAA-OLZOCXBDSA-N 1 3 316.371 2.427 20 0 DEADHO C[C@H](Cc1ccccn1)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000925438672 693272677 /nfs/dbraw/zinc/27/26/77/693272677.db2.gz ZWKKQJYDOKSHBB-BRWVUGGUSA-N 1 3 305.466 2.492 20 0 DEADHO CC1(C)[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)[C@@H]2CCCN[C@@H]21 ZINC000925552470 693295325 /nfs/dbraw/zinc/29/53/25/693295325.db2.gz XAKUTBOQPRYKMG-HZSPNIEDSA-N 1 3 319.415 2.379 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1([C@@H](O)c2ccccc2)CC1 ZINC000925612823 693308937 /nfs/dbraw/zinc/30/89/37/693308937.db2.gz VOSVXPATUSNKNZ-WFFDWFOESA-N 1 3 300.446 2.430 20 0 DEADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCC1([C@@H](O)c2ccccc2)CC1 ZINC000925612823 693308941 /nfs/dbraw/zinc/30/89/41/693308941.db2.gz VOSVXPATUSNKNZ-WFFDWFOESA-N 1 3 300.446 2.430 20 0 DEADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCC1([C@@H](O)c2ccccc2)CC1 ZINC000925612823 693308946 /nfs/dbraw/zinc/30/89/46/693308946.db2.gz VOSVXPATUSNKNZ-WFFDWFOESA-N 1 3 300.446 2.430 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@@H]1NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000925673591 693322532 /nfs/dbraw/zinc/32/25/32/693322532.db2.gz ZFQOUWJZVAZUMH-FZMZJTMJSA-N 1 3 324.856 2.003 20 0 DEADHO Cc1cc(C(F)(F)F)nn1CCN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000925805350 693344418 /nfs/dbraw/zinc/34/44/18/693344418.db2.gz STUAXLRRYNODOD-NEPJUHHUSA-N 1 3 304.360 2.188 20 0 DEADHO CC(C)CCN1CCC([NH2+]Cc2ccc(CC(N)=O)cc2)CC1 ZINC000926442974 693449708 /nfs/dbraw/zinc/44/97/08/693449708.db2.gz LSLCIIFCLDVFAY-UHFFFAOYSA-N 1 3 317.477 2.315 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCCF)CC1 ZINC001052378484 693518930 /nfs/dbraw/zinc/51/89/30/693518930.db2.gz WGBUQJKFJDIXNN-JKSUJKDBSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCCF)CC1 ZINC001052378484 693518934 /nfs/dbraw/zinc/51/89/34/693518934.db2.gz WGBUQJKFJDIXNN-JKSUJKDBSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053097360 693688702 /nfs/dbraw/zinc/68/87/02/693688702.db2.gz FBWONIPEZBMMJX-DOTOQJQBSA-N 1 3 318.465 2.454 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053097360 693688703 /nfs/dbraw/zinc/68/87/03/693688703.db2.gz FBWONIPEZBMMJX-DOTOQJQBSA-N 1 3 318.465 2.454 20 0 DEADHO CC(C)CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001402393660 1162342660 /nfs/dbraw/zinc/34/26/60/1162342660.db2.gz JEGBDAFDOKRDAH-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](CNCCC(=O)Nc2cccc(F)c2)C1 ZINC001335942938 1150565631 /nfs/dbraw/zinc/56/56/31/1150565631.db2.gz UCJAQUARAUAHTG-CQSZACIVSA-N 1 3 307.413 2.474 20 0 DEADHO CC(C)[N@H+]1CC[C@H](CNCCC(=O)Nc2cccc(F)c2)C1 ZINC001335942938 1150565638 /nfs/dbraw/zinc/56/56/38/1150565638.db2.gz UCJAQUARAUAHTG-CQSZACIVSA-N 1 3 307.413 2.474 20 0 DEADHO CC[C@@H](OCC[NH2+]C[C@H](O)CN1CCCC1)c1ccccc1 ZINC001336003278 1150588097 /nfs/dbraw/zinc/58/80/97/1150588097.db2.gz OJMMSJYCWMFMBO-ZWKOTPCHSA-N 1 3 306.450 2.201 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C)c2)C1)N(C)C ZINC001402521857 1162378989 /nfs/dbraw/zinc/37/89/89/1162378989.db2.gz WFLNAYNOESCNTI-ULQDDVLXSA-N 1 3 303.450 2.072 20 0 DEADHO C[NH+](C)CCC(=O)N1CCC[C@@H]2CN(C/C=C\Cl)CC[C@H]21 ZINC001402581608 1162400567 /nfs/dbraw/zinc/40/05/67/1162400567.db2.gz PGHAWKYXCMGDBH-JFCGUDLGSA-N 1 3 313.873 2.004 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CCc3cccs3)C2)CCC1 ZINC001402588458 1162402490 /nfs/dbraw/zinc/40/24/90/1162402490.db2.gz BRNNQDDVSKJXJW-OKILXGFUSA-N 1 3 321.490 2.012 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001402636467 1162421384 /nfs/dbraw/zinc/42/13/84/1162421384.db2.gz PUUHAANONMQYAF-SOUVJXGZSA-N 1 3 321.440 2.465 20 0 DEADHO C[NH2+]CCCCC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC001353678634 1151845867 /nfs/dbraw/zinc/84/58/67/1151845867.db2.gz OSISZYODXZJHMO-UHFFFAOYSA-N 1 3 309.429 2.106 20 0 DEADHO C[NH2+]CCCCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001357981199 1152352298 /nfs/dbraw/zinc/35/22/98/1152352298.db2.gz OGXYPHFMYVTDGI-KRWDZBQOSA-N 1 3 303.450 2.075 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001402817701 1162482588 /nfs/dbraw/zinc/48/25/88/1162482588.db2.gz IJYGKEGTTMAVQG-HZPDHXFCSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001402817701 1162482590 /nfs/dbraw/zinc/48/25/90/1162482590.db2.gz IJYGKEGTTMAVQG-HZPDHXFCSA-N 1 3 309.498 2.486 20 0 DEADHO CN(CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CC2)C1)CC(C)(C)C ZINC001379671346 1152669973 /nfs/dbraw/zinc/66/99/73/1152669973.db2.gz BNSNNOQLXROGFQ-HZPDHXFCSA-N 1 3 309.498 2.249 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CC1CC2(CCC2)C1)N(C)C ZINC001380021345 1152732801 /nfs/dbraw/zinc/73/28/01/1152732801.db2.gz OXPWZHDMYIJKNT-SJORKVTESA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+]1CC1CC2(CCC2)C1)N(C)C ZINC001380021345 1152732802 /nfs/dbraw/zinc/73/28/02/1152732802.db2.gz OXPWZHDMYIJKNT-SJORKVTESA-N 1 3 321.509 2.343 20 0 DEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2(N(C)C)CCCC2)C1 ZINC001361857919 1152760041 /nfs/dbraw/zinc/76/00/41/1152760041.db2.gz YGYFCEDMJGMHHM-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2(N(C)C)CCCC2)C1 ZINC001361857919 1152760042 /nfs/dbraw/zinc/76/00/42/1152760042.db2.gz YGYFCEDMJGMHHM-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1ccc(CN(CCN(C)C)C(=O)[C@H](C)CC[NH+](C)C)o1 ZINC001361973507 1152790404 /nfs/dbraw/zinc/79/04/04/1152790404.db2.gz GBZHXIVQYZZNLB-CQSZACIVSA-N 1 3 309.454 2.066 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@]1(C)CCN(C(=O)CN(C)C2CCC2)C1 ZINC001380397151 1152805933 /nfs/dbraw/zinc/80/59/33/1152805933.db2.gz IWDZKWORVSWGLW-PBHICJAKSA-N 1 3 313.461 2.047 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC2CCCC2)C1 ZINC001380671350 1152842168 /nfs/dbraw/zinc/84/21/68/1152842168.db2.gz PJVYERFZKPDCGJ-DOTOQJQBSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](CC[NH+](C)C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001362261388 1152863664 /nfs/dbraw/zinc/86/36/64/1152863664.db2.gz QQABEZXFBJOHKN-SJLPKXTDSA-N 1 3 317.477 2.307 20 0 DEADHO CCCC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001402885524 1162517158 /nfs/dbraw/zinc/51/71/58/1162517158.db2.gz GNAGSTGDYZNXAN-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001402885524 1162517166 /nfs/dbraw/zinc/51/71/66/1162517166.db2.gz GNAGSTGDYZNXAN-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO Cc1cccc(CN2CC([C@H](C)NC(=O)CCC[NH+](C)C)C2)c1 ZINC001381805745 1153231109 /nfs/dbraw/zinc/23/11/09/1153231109.db2.gz PFNOZNIMFSNPSR-INIZCTEOSA-N 1 3 317.477 2.273 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C1C[NH+](CCC2CCCC2)C1 ZINC001381823721 1153239677 /nfs/dbraw/zinc/23/96/77/1153239677.db2.gz AWOBBPFFQUXRPA-HNNXBMFYSA-N 1 3 309.498 2.343 20 0 DEADHO CN(CC(=O)N1CCC([N@H+](C)CC2CC2)CC1)CC(C)(C)C ZINC001381986071 1153306213 /nfs/dbraw/zinc/30/62/13/1153306213.db2.gz SFOOJEXGISEPEH-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CN(CC(=O)N1CCC([N@@H+](C)CC2CC2)CC1)CC(C)(C)C ZINC001381986071 1153306218 /nfs/dbraw/zinc/30/62/18/1153306218.db2.gz SFOOJEXGISEPEH-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1ccccc1F ZINC001382075274 1153347361 /nfs/dbraw/zinc/34/73/61/1153347361.db2.gz YFNBFPZATXHGNQ-SQWLQELKSA-N 1 3 321.440 2.102 20 0 DEADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1ccccc1F ZINC001382075274 1153347366 /nfs/dbraw/zinc/34/73/66/1153347366.db2.gz YFNBFPZATXHGNQ-SQWLQELKSA-N 1 3 321.440 2.102 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001382168854 1153387016 /nfs/dbraw/zinc/38/70/16/1153387016.db2.gz UHAJMVHZIXDNBU-QJWNTBNXSA-N 1 3 317.477 2.477 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccsc3)C2)C1 ZINC001388723965 1155074657 /nfs/dbraw/zinc/07/46/57/1155074657.db2.gz FHHKDHSVKQXHCW-BPUTZDHNSA-N 1 3 321.490 2.074 20 0 DEADHO CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1)N(C)C ZINC001389914439 1155469788 /nfs/dbraw/zinc/46/97/88/1155469788.db2.gz COQBAYIIPSTHQH-NPYXIHBLSA-N 1 3 307.482 2.238 20 0 DEADHO CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1)N(C)C ZINC001389914439 1155469791 /nfs/dbraw/zinc/46/97/91/1155469791.db2.gz COQBAYIIPSTHQH-NPYXIHBLSA-N 1 3 307.482 2.238 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001390014560 1155499832 /nfs/dbraw/zinc/49/98/32/1155499832.db2.gz XZGSLORSXDPLSE-CALCHBBNSA-N 1 3 303.450 2.074 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001403100481 1162714844 /nfs/dbraw/zinc/71/48/44/1162714844.db2.gz LFUYTLWILVGSOR-MRXNPFEDSA-N 1 3 305.466 2.240 20 0 DEADHO CC(C)N(C)CC(=O)NC1CCC([NH2+]Cc2ccns2)CC1 ZINC001390270946 1155618531 /nfs/dbraw/zinc/61/85/31/1155618531.db2.gz CLFNUPNBNPUXNY-UHFFFAOYSA-N 1 3 324.494 2.000 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001370912779 1155631322 /nfs/dbraw/zinc/63/13/22/1155631322.db2.gz STJANZYFANZHSI-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@H](C)c1ccccc1F ZINC001390466149 1155737693 /nfs/dbraw/zinc/73/76/93/1155737693.db2.gz UBMHSWPLDNBEHN-ZIAGYGMSSA-N 1 3 321.440 2.323 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001390508241 1155772328 /nfs/dbraw/zinc/77/23/28/1155772328.db2.gz KWJXPZAEONFVLN-CZUORRHYSA-N 1 3 309.429 2.006 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CNC(=O)C(C)(C)N2CCCC2)cc1 ZINC001371308704 1155819109 /nfs/dbraw/zinc/81/91/09/1155819109.db2.gz QALMAHMHANWWHO-MRXNPFEDSA-N 1 3 317.477 2.464 20 0 DEADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC=C(Cl)Cl)N(C)C ZINC001390706707 1155844556 /nfs/dbraw/zinc/84/45/56/1155844556.db2.gz NGIGPVLQEBHXSC-MNOVXSKESA-N 1 3 310.269 2.130 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCC(F)(F)F ZINC001390725594 1155851297 /nfs/dbraw/zinc/85/12/97/1155851297.db2.gz DBTWVWOQMVPQOQ-OLZOCXBDSA-N 1 3 323.403 2.298 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CNC(=O)CN(C)C(C)C)c(C)c1 ZINC001371473002 1155857623 /nfs/dbraw/zinc/85/76/23/1155857623.db2.gz IEEJEPLHJSMTNA-MRXNPFEDSA-N 1 3 305.466 2.238 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](C)CC[C@H]1CCCC1(F)F)N(C)C ZINC001390820563 1155882970 /nfs/dbraw/zinc/88/29/70/1155882970.db2.gz VRPWZSDVCKZZOX-KGLIPLIRSA-N 1 3 319.440 2.200 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](C)CC[C@H]1CCCC1(F)F)N(C)C ZINC001390820563 1155882974 /nfs/dbraw/zinc/88/29/74/1155882974.db2.gz VRPWZSDVCKZZOX-KGLIPLIRSA-N 1 3 319.440 2.200 20 0 DEADHO CCN(CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC001390910537 1155950229 /nfs/dbraw/zinc/95/02/29/1155950229.db2.gz CSMDAHRNSQSQBS-SFHVURJKSA-N 1 3 317.477 2.499 20 0 DEADHO CCN(CCNC(=O)CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC001390910537 1155950236 /nfs/dbraw/zinc/95/02/36/1155950236.db2.gz CSMDAHRNSQSQBS-SFHVURJKSA-N 1 3 317.477 2.499 20 0 DEADHO CC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccccc1F)N(C)C ZINC001371774513 1156010274 /nfs/dbraw/zinc/01/02/74/1156010274.db2.gz SOYQEMDDBYJHQN-CZUORRHYSA-N 1 3 309.429 2.150 20 0 DEADHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1cccc(F)c1 ZINC001371828933 1156034339 /nfs/dbraw/zinc/03/43/39/1156034339.db2.gz FIAGDSAGDSYLKD-GJZGRUSLSA-N 1 3 321.440 2.152 20 0 DEADHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1cccc(F)c1 ZINC001371828929 1156034449 /nfs/dbraw/zinc/03/44/49/1156034449.db2.gz FIAGDSAGDSYLKD-CABCVRRESA-N 1 3 321.440 2.152 20 0 DEADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@H+](CC3CC(C)(C)C3)C2)CCC1 ZINC001391103727 1156117173 /nfs/dbraw/zinc/11/71/73/1156117173.db2.gz ZZZLBMOEZFTBIB-HNNXBMFYSA-N 1 3 321.509 2.345 20 0 DEADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@@H+](CC3CC(C)(C)C3)C2)CCC1 ZINC001391103727 1156117193 /nfs/dbraw/zinc/11/71/93/1156117193.db2.gz ZZZLBMOEZFTBIB-HNNXBMFYSA-N 1 3 321.509 2.345 20 0 DEADHO CCN(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)Cc1cccc(F)c1 ZINC001372465823 1156442108 /nfs/dbraw/zinc/44/21/08/1156442108.db2.gz ZSPYEYYZONGXRV-QGZVFWFLSA-N 1 3 323.456 2.350 20 0 DEADHO C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3CCCC(C)(C)C)CC1 ZINC001391539613 1156509968 /nfs/dbraw/zinc/50/99/68/1156509968.db2.gz VXEVHXLAZXNTNI-IRXDYDNUSA-N 1 3 321.509 2.440 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1(C[NH2+]CC2CCCC2)CCCC1 ZINC001391777240 1156800584 /nfs/dbraw/zinc/80/05/84/1156800584.db2.gz XTJSGPQLSHEANT-UHFFFAOYSA-N 1 3 318.465 2.469 20 0 DEADHO CCCN(C(=O)CC[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001373124772 1156865435 /nfs/dbraw/zinc/86/54/35/1156865435.db2.gz LEPPLOWQFMQBHT-GOSISDBHSA-N 1 3 317.477 2.451 20 0 DEADHO CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccsc1)N(C)C ZINC001392116962 1156871003 /nfs/dbraw/zinc/87/10/03/1156871003.db2.gz NPMBIFSWHDHJPU-UKRRQHHQSA-N 1 3 311.495 2.271 20 0 DEADHO CC(C)C[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001392181166 1156883145 /nfs/dbraw/zinc/88/31/45/1156883145.db2.gz JAHHIESXVKHTAO-CVEARBPZSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)C[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001392181168 1156883321 /nfs/dbraw/zinc/88/33/21/1156883321.db2.gz JAHHIESXVKHTAO-HOTGVXAUSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCC(F)(F)F ZINC001392237685 1156907331 /nfs/dbraw/zinc/90/73/31/1156907331.db2.gz SCNXSIUVDZGEAY-QWHCGFSZSA-N 1 3 323.403 2.011 20 0 DEADHO CN(CCF)CC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001373320793 1156977449 /nfs/dbraw/zinc/97/74/49/1156977449.db2.gz QDHWBQWBHOBMAC-INIZCTEOSA-N 1 3 313.461 2.001 20 0 DEADHO CN(CCF)CC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001373320793 1156977466 /nfs/dbraw/zinc/97/74/66/1156977466.db2.gz QDHWBQWBHOBMAC-INIZCTEOSA-N 1 3 313.461 2.001 20 0 DEADHO CC(C)C[C@@H](C)C[NH+]1CC(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001373546684 1157089753 /nfs/dbraw/zinc/08/97/53/1157089753.db2.gz PIJUMQYNLIIIBG-NVXWUHKLSA-N 1 3 311.514 2.303 20 0 DEADHO CC[C@H](c1ccc(F)cc1)N1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001373641204 1157198806 /nfs/dbraw/zinc/19/88/06/1157198806.db2.gz XDDOSUCISAMHGI-IAGOWNOFSA-N 1 3 321.440 2.419 20 0 DEADHO CC(C)C[C@H](C)C[NH+]1CC([C@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001403341563 1162855992 /nfs/dbraw/zinc/85/59/92/1162855992.db2.gz CKNYFCYUZARNNO-HOTGVXAUSA-N 1 3 311.514 2.445 20 0 DEADHO CCC[N@@H+]1C[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)C(C)(C)C1 ZINC001403363152 1162863288 /nfs/dbraw/zinc/86/32/88/1162863288.db2.gz RJXXMTJZRADRAB-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO CCC[N@H+]1C[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)C(C)(C)C1 ZINC001403363152 1162863289 /nfs/dbraw/zinc/86/32/89/1162863289.db2.gz RJXXMTJZRADRAB-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1cc(C)cc(C[NH2+]C[C@@H](C)CNC(=O)CN(C)C(C)C)c1 ZINC001374111678 1157633751 /nfs/dbraw/zinc/63/37/51/1157633751.db2.gz FEXFQTPGNBURAQ-QGZVFWFLSA-N 1 3 319.493 2.486 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C[NH2+]CC1CC1)C1CCCC1)N(C)C ZINC001393074924 1157658231 /nfs/dbraw/zinc/65/82/31/1157658231.db2.gz AJKSKCDRSKUOAQ-IAGOWNOFSA-N 1 3 309.498 2.247 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1(C)CC[NH+](CC2CC2)CC1 ZINC001393186098 1157745817 /nfs/dbraw/zinc/74/58/17/1157745817.db2.gz OTSMBRWEOLIMIW-HZPDHXFCSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001374272782 1157792297 /nfs/dbraw/zinc/79/22/97/1157792297.db2.gz ZJPFPPAIISJYSU-WMLDXEAASA-N 1 3 321.440 2.165 20 0 DEADHO CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1nc[nH]c1C)C2 ZINC001393396495 1157820319 /nfs/dbraw/zinc/82/03/19/1157820319.db2.gz RZTDRRJQJCDWRV-QDMKHBRRSA-N 1 3 304.438 2.030 20 0 DEADHO CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1nc[nH]c1C)C2 ZINC001393396495 1157820321 /nfs/dbraw/zinc/82/03/21/1157820321.db2.gz RZTDRRJQJCDWRV-QDMKHBRRSA-N 1 3 304.438 2.030 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C[NH2+]CC1CC1)C1CCCCC1 ZINC001374374648 1157831760 /nfs/dbraw/zinc/83/17/60/1157831760.db2.gz WFQVMMPOLMLBMG-QGZVFWFLSA-N 1 3 318.465 2.325 20 0 DEADHO C[C@@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001374470917 1157867849 /nfs/dbraw/zinc/86/78/49/1157867849.db2.gz HYMCSHGSJVCFKD-RDJZCZTQSA-N 1 3 303.450 2.232 20 0 DEADHO C[C@@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001374470917 1157867850 /nfs/dbraw/zinc/86/78/50/1157867850.db2.gz HYMCSHGSJVCFKD-RDJZCZTQSA-N 1 3 303.450 2.232 20 0 DEADHO CC[C@H](C(=O)N(C)CCC[N@H+](C)Cc1cnccc1C)N(C)C ZINC001393639595 1157892131 /nfs/dbraw/zinc/89/21/31/1157892131.db2.gz ATTBZTGSIUURHZ-QGZVFWFLSA-N 1 3 320.481 2.011 20 0 DEADHO CC[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1cnccc1C)N(C)C ZINC001393639595 1157892132 /nfs/dbraw/zinc/89/21/32/1157892132.db2.gz ATTBZTGSIUURHZ-QGZVFWFLSA-N 1 3 320.481 2.011 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1csc(C)c1 ZINC001394000709 1158150016 /nfs/dbraw/zinc/15/00/16/1158150016.db2.gz OXPSRTROVCKKNP-KBPBESRZSA-N 1 3 311.495 2.381 20 0 DEADHO C[C@H](CN(C)C/C=C/c1ccccc1)NC(=O)CC[NH+](C)C ZINC001375098251 1158312823 /nfs/dbraw/zinc/31/28/23/1158312823.db2.gz IPNRPRQPIHZOJK-YCABEKBOSA-N 1 3 303.450 2.088 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[N@H+](C)CC1CC(C)(C)C1 ZINC001394131030 1158323671 /nfs/dbraw/zinc/32/36/71/1158323671.db2.gz LLUORGUNEWLRRF-LBPRGKRZSA-N 1 3 306.454 2.133 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[N@@H+](C)CC1CC(C)(C)C1 ZINC001394131030 1158323678 /nfs/dbraw/zinc/32/36/78/1158323678.db2.gz LLUORGUNEWLRRF-LBPRGKRZSA-N 1 3 306.454 2.133 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C1C[NH+](CC2CC3(CCC3)C2)C1)N(C)C ZINC001394265677 1158401554 /nfs/dbraw/zinc/40/15/54/1158401554.db2.gz OIGDEKXNGPOCFQ-PBHICJAKSA-N 1 3 321.509 2.343 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001375273773 1158420899 /nfs/dbraw/zinc/42/08/99/1158420899.db2.gz UMRGGPSPCXZIET-INIZCTEOSA-N 1 3 318.465 2.181 20 0 DEADHO C[C@@H]1C[C@@H](NCc2ccsc2)CN1C(=O)CCC[NH+](C)C ZINC001394664256 1158659257 /nfs/dbraw/zinc/65/92/57/1158659257.db2.gz BIJVYBOCEFRDSW-UKRRQHHQSA-N 1 3 309.479 2.169 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C1CC[NH+](CC2CCC2)CC1)N(C)C ZINC001394840093 1158809478 /nfs/dbraw/zinc/80/94/78/1158809478.db2.gz ITZHIUUZZLIWAA-RHSMWYFYSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](F)CN1CCC([C@@H](C)NC(=O)CCC[NH+](C)C)CC1 ZINC001394842229 1158810128 /nfs/dbraw/zinc/81/01/28/1158810128.db2.gz KDUWXWOWSQETHP-GDBMZVCRSA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N2CCCC2)CC[N@@H+]1CC1CC1 ZINC001375617298 1158830241 /nfs/dbraw/zinc/83/02/41/1158830241.db2.gz XMXIJGJYEOQFDW-RCCFBDPRSA-N 1 3 321.509 2.486 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N2CCCC2)CC[N@H+]1CC1CC1 ZINC001375617298 1158830242 /nfs/dbraw/zinc/83/02/42/1158830242.db2.gz XMXIJGJYEOQFDW-RCCFBDPRSA-N 1 3 321.509 2.486 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1 ZINC001375768461 1158866034 /nfs/dbraw/zinc/86/60/34/1158866034.db2.gz SXCKTFGGZUBYFU-KRWDZBQOSA-N 1 3 303.450 2.109 20 0 DEADHO CC[C@H](C(=O)NCC1(C)CC[NH+](C[C@@H](F)CC)CC1)N(C)C ZINC001375927386 1158989632 /nfs/dbraw/zinc/98/96/32/1158989632.db2.gz ZWWXMTSJKMHOAM-LSDHHAIUSA-N 1 3 315.477 2.293 20 0 DEADHO CCC[N@@H+]1CCC[C@](C)(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001375948939 1159016693 /nfs/dbraw/zinc/01/66/93/1159016693.db2.gz GTUDFAVIVWXCBD-GOSISDBHSA-N 1 3 309.498 2.489 20 0 DEADHO CCC[N@H+]1CCC[C@](C)(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001375948939 1159016701 /nfs/dbraw/zinc/01/67/01/1159016701.db2.gz GTUDFAVIVWXCBD-GOSISDBHSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC12CC[NH+](CC1CC(C)C1)CC2 ZINC001376179300 1159197996 /nfs/dbraw/zinc/19/79/96/1159197996.db2.gz LYJABJDJHZQGSG-OFLPRAFFSA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CCc1cccs1)N(C)C ZINC001403580606 1163018277 /nfs/dbraw/zinc/01/82/77/1163018277.db2.gz YVCLUJMWGVPZCT-DZGCQCFKSA-N 1 3 311.495 2.067 20 0 DEADHO CCc1ccccc1C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001376351323 1159353404 /nfs/dbraw/zinc/35/34/04/1159353404.db2.gz DVNCBBMGBSDDCO-SFHVURJKSA-N 1 3 317.477 2.280 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001376396836 1159385382 /nfs/dbraw/zinc/38/53/82/1159385382.db2.gz BXGBTBXZDZWZNZ-ULQDDVLXSA-N 1 3 321.440 2.149 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)N(C)C ZINC001376405711 1159391006 /nfs/dbraw/zinc/39/10/06/1159391006.db2.gz ZTVWLMVWQXLGDL-ULQDDVLXSA-N 1 3 309.498 2.390 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CCCC3CCC3)C[C@@H]2C1 ZINC001376407661 1159392576 /nfs/dbraw/zinc/39/25/76/1159392576.db2.gz AGCPHRMDSGVIQX-HDICACEKSA-N 1 3 321.509 2.299 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CCCC3CCC3)C[C@@H]2C1 ZINC001376407661 1159392585 /nfs/dbraw/zinc/39/25/85/1159392585.db2.gz AGCPHRMDSGVIQX-HDICACEKSA-N 1 3 321.509 2.299 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001376468137 1159454627 /nfs/dbraw/zinc/45/46/27/1159454627.db2.gz CPYSOHTVLMCIES-FGTMMUONSA-N 1 3 317.477 2.380 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001376843839 1159820881 /nfs/dbraw/zinc/82/08/81/1159820881.db2.gz CJRQLISENZBPDP-ZDUSSCGKSA-N 1 3 319.440 2.248 20 0 DEADHO CC[C@@H](C)C[N@H+](C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001403686137 1163089742 /nfs/dbraw/zinc/08/97/42/1163089742.db2.gz MPQQJNUTNYZEDD-RHSMWYFYSA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@@H](C)C[N@@H+](C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001403686137 1163089743 /nfs/dbraw/zinc/08/97/43/1163089743.db2.gz MPQQJNUTNYZEDD-RHSMWYFYSA-N 1 3 315.477 2.293 20 0 DEADHO Cc1cccc(C)c1CN(C)CCNC(=O)CCC[NH+](C)C ZINC001377213999 1160041585 /nfs/dbraw/zinc/04/15/85/1160041585.db2.gz GFWRUPDUTFADFU-UHFFFAOYSA-N 1 3 305.466 2.193 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](CCCF)CC(C)(C)C1 ZINC001397275039 1160100883 /nfs/dbraw/zinc/10/08/83/1160100883.db2.gz UTPKOJKTSYQNQR-HNNXBMFYSA-N 1 3 315.477 2.295 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](CCCF)CC(C)(C)C1 ZINC001397275039 1160100902 /nfs/dbraw/zinc/10/09/02/1160100902.db2.gz UTPKOJKTSYQNQR-HNNXBMFYSA-N 1 3 315.477 2.295 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccsc2)C1)N(C)C ZINC001377465161 1160392537 /nfs/dbraw/zinc/39/25/37/1160392537.db2.gz XZRVGWOPCBSIPA-GOEBONIOSA-N 1 3 323.506 2.272 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccsc2)C1)N(C)C ZINC001377465161 1160392544 /nfs/dbraw/zinc/39/25/44/1160392544.db2.gz XZRVGWOPCBSIPA-GOEBONIOSA-N 1 3 323.506 2.272 20 0 DEADHO CCCN(C)CC(=O)N1CCC2(CC1)CC[NH+](CCC)CC2 ZINC001377537830 1160521160 /nfs/dbraw/zinc/52/11/60/1160521160.db2.gz UMPBLCXKZMOWLB-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO C[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1F ZINC001377582716 1160564604 /nfs/dbraw/zinc/56/46/04/1160564604.db2.gz ZRECOUKWEYWUSY-IIAWOOMASA-N 1 3 321.440 2.275 20 0 DEADHO C[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1F ZINC001377582716 1160564609 /nfs/dbraw/zinc/56/46/09/1160564609.db2.gz ZRECOUKWEYWUSY-IIAWOOMASA-N 1 3 321.440 2.275 20 0 DEADHO CC[C@H](C)C[NH+]1CCC(N(C)C(=O)CN(C)C2CCC2)CC1 ZINC001398188234 1160811259 /nfs/dbraw/zinc/81/12/59/1160811259.db2.gz PEYKSKFKSPJSCS-HNNXBMFYSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](F)C[N@H+](C)CC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001377778897 1160819225 /nfs/dbraw/zinc/81/92/25/1160819225.db2.gz CBYAWGQENBEWOS-HZPDHXFCSA-N 1 3 315.477 2.245 20 0 DEADHO CC[C@@H](F)C[N@@H+](C)CC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001377778897 1160819228 /nfs/dbraw/zinc/81/92/28/1160819228.db2.gz CBYAWGQENBEWOS-HZPDHXFCSA-N 1 3 315.477 2.245 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC001492873487 1160947166 /nfs/dbraw/zinc/94/71/66/1160947166.db2.gz IIVMEBNUFOOSOK-IAGOWNOFSA-N 1 3 317.477 2.416 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001398662234 1161040098 /nfs/dbraw/zinc/04/00/98/1161040098.db2.gz GBBREFSGOFTNAH-MPZDIEGVSA-N 1 3 321.387 2.048 20 0 DEADHO CC(C)[C@@H](C(=O)NC1CCC([NH2+]C/C=C/Cl)CC1)N(C)C ZINC001398834520 1161117187 /nfs/dbraw/zinc/11/71/87/1161117187.db2.gz BAGVCLYCRIZOQU-GUWOVEPVSA-N 1 3 315.889 2.342 20 0 DEADHO Cc1ccc(CC[NH2+][C@H](C)CNC(=O)CN(C)C2CCC2)cc1 ZINC001398957448 1161166863 /nfs/dbraw/zinc/16/68/63/1161166863.db2.gz UNQYUZVHWWGWEQ-MRXNPFEDSA-N 1 3 317.477 2.116 20 0 DEADHO CC[C@H](C)C[N@H+](CCNC(=O)[C@@H]1CCCCN1CC)C1CC1 ZINC001400053446 1161642685 /nfs/dbraw/zinc/64/26/85/1161642685.db2.gz JQBPUEQSRMQIGG-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C)C[N@@H+](CCNC(=O)[C@@H]1CCCCN1CC)C1CC1 ZINC001400053446 1161642687 /nfs/dbraw/zinc/64/26/87/1161642687.db2.gz JQBPUEQSRMQIGG-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@@H]1CCN(CC)C1 ZINC001400161653 1161672784 /nfs/dbraw/zinc/67/27/84/1161672784.db2.gz YRMJOMGOOMDSFI-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001401088375 1161870184 /nfs/dbraw/zinc/87/01/84/1161870184.db2.gz BTNYMXWCMRPAOC-QGZVFWFLSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC2([NH2+]CCF)CCCC2)c1 ZINC001401190084 1161889903 /nfs/dbraw/zinc/88/99/03/1161889903.db2.gz HWOJJMHWURRNHN-UHFFFAOYSA-N 1 3 321.440 2.350 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)C2(N(C)C)CCC2)cc1F ZINC001401627574 1162051385 /nfs/dbraw/zinc/05/13/85/1162051385.db2.gz UEWPQHZPNHGNGT-CQSZACIVSA-N 1 3 321.440 2.213 20 0 DEADHO C[C@H](CN[C@H](C)c1ccccc1F)NC(=O)C12CC[NH+](CC1)C2 ZINC001401651767 1162059964 /nfs/dbraw/zinc/05/99/64/1162059964.db2.gz KWONFTOLVWZHRE-ZIAGYGMSSA-N 1 3 319.424 2.077 20 0 DEADHO C[C@@H](C[N@H+](C)CC1CC(C)C1)NC(=O)CN(C)CC(C)(C)C ZINC001401783675 1162128976 /nfs/dbraw/zinc/12/89/76/1162128976.db2.gz WCXOUWKPCNMNLL-PCKAHOCUSA-N 1 3 311.514 2.447 20 0 DEADHO C[C@@H](C[N@@H+](C)CC1CC(C)C1)NC(=O)CN(C)CC(C)(C)C ZINC001401783675 1162128978 /nfs/dbraw/zinc/12/89/78/1162128978.db2.gz WCXOUWKPCNMNLL-PCKAHOCUSA-N 1 3 311.514 2.447 20 0 DEADHO CN(C)C1(C(=O)N[C@H](C[NH2+]Cc2ccsc2)C2CC2)CCC1 ZINC001401843475 1162151542 /nfs/dbraw/zinc/15/15/42/1162151542.db2.gz SNRBMSQAKWSNGC-OAHLLOKOSA-N 1 3 321.490 2.217 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]Cc1ccccc1)C1CC1 ZINC001401879951 1162163936 /nfs/dbraw/zinc/16/39/36/1162163936.db2.gz UZXBIQZOMTXMQA-QGZVFWFLSA-N 1 3 303.450 2.011 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@H](C)NCCF ZINC001402044503 1162226576 /nfs/dbraw/zinc/22/65/76/1162226576.db2.gz OANKUYYMEPLRNI-GJZGRUSLSA-N 1 3 301.450 2.047 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1[C@H](C)NCCF ZINC001402044503 1162226579 /nfs/dbraw/zinc/22/65/79/1162226579.db2.gz OANKUYYMEPLRNI-GJZGRUSLSA-N 1 3 301.450 2.047 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC001402081269 1162239056 /nfs/dbraw/zinc/23/90/56/1162239056.db2.gz RUOKARVMWKCGDH-KRWDZBQOSA-N 1 3 321.440 2.247 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCC(F)(F)F)C(C)(C)C1 ZINC001403842155 1163243633 /nfs/dbraw/zinc/24/36/33/1163243633.db2.gz TVDXRKBSEKDVEP-LBPRGKRZSA-N 1 3 323.403 2.106 20 0 DEADHO CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(F)c1)N(C)C ZINC001405886122 1164312641 /nfs/dbraw/zinc/31/26/41/1164312641.db2.gz GIIDBCVUCGLELW-WMLDXEAASA-N 1 3 323.456 2.348 20 0 DEADHO CN(CCN(C)C(=O)CC[NH+](C)C)Cc1ccc2cc[nH]c2c1 ZINC001406136667 1164469741 /nfs/dbraw/zinc/46/97/41/1164469741.db2.gz ZPENQMHKIDPHIC-UHFFFAOYSA-N 1 3 316.449 2.010 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CC[C@@H]2[C@H](CCN2C/C=C/Cl)C1 ZINC001406186360 1164498748 /nfs/dbraw/zinc/49/87/48/1164498748.db2.gz NWMGXIIQCVULPQ-GMLRFVCHSA-N 1 3 313.873 2.004 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H]2[C@H](CCN2C/C=C/Cl)C1 ZINC001406186360 1164498754 /nfs/dbraw/zinc/49/87/54/1164498754.db2.gz NWMGXIIQCVULPQ-GMLRFVCHSA-N 1 3 313.873 2.004 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2ccc(C)cc2C)CC1 ZINC001406994477 1164912980 /nfs/dbraw/zinc/91/29/80/1164912980.db2.gz CHYWNOXNXAXSHS-UHFFFAOYSA-N 1 3 317.477 2.384 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CC[NH+](CC[C@@H](C)F)CC2 ZINC001407724527 1165272795 /nfs/dbraw/zinc/27/27/95/1165272795.db2.gz XXVOJFVBILJREW-OAHLLOKOSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1[NH2+]CC1CCC1 ZINC001408098650 1165476249 /nfs/dbraw/zinc/47/62/49/1165476249.db2.gz RKBUTXHWZYSBKW-HOCLYGCPSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@H](C(=O)N(C)C[C@@H]1CCN1CC1CC1)[NH+]1CCCCCC1 ZINC001417738687 1167179226 /nfs/dbraw/zinc/17/92/26/1167179226.db2.gz HALQHYBIABTJPP-WBVHZDCISA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC001418078308 1167398839 /nfs/dbraw/zinc/39/88/39/1167398839.db2.gz TUFQACCSTJOUHX-BQFCYCMXSA-N 1 3 315.461 2.251 20 0 DEADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](C)CC ZINC001418085852 1167402889 /nfs/dbraw/zinc/40/28/89/1167402889.db2.gz NPSCMTYNTMXLOB-XYTVBORESA-N 1 3 309.498 2.486 20 0 DEADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)CC ZINC001418085852 1167402891 /nfs/dbraw/zinc/40/28/91/1167402891.db2.gz NPSCMTYNTMXLOB-XYTVBORESA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@H](C(=O)NC1CCC([NH2+]Cc2ccns2)CC1)N(C)C ZINC001418186318 1167470180 /nfs/dbraw/zinc/47/01/80/1167470180.db2.gz DUIVAKGTSTZZHJ-SSDMNJCBSA-N 1 3 324.494 2.000 20 0 DEADHO C[C@@H](CC[NH+](C)C)C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC001418356410 1167590995 /nfs/dbraw/zinc/59/09/95/1167590995.db2.gz LIQIUQLSPVCQNM-LPHOPBHVSA-N 1 3 317.477 2.355 20 0 DEADHO CC(C)[NH2+]CCc1ccc(CNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001418359078 1167595128 /nfs/dbraw/zinc/59/51/28/1167595128.db2.gz MZJLJVIWODNKFC-SFHVURJKSA-N 1 3 319.493 2.430 20 0 DEADHO CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCN1C)c1ccccc1 ZINC001418819648 1167986786 /nfs/dbraw/zinc/98/67/86/1167986786.db2.gz YZEZSICKSJGWKT-SJORKVTESA-N 1 3 303.450 2.280 20 0 DEADHO CC(C)C[N@H+](C)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001418936111 1168078650 /nfs/dbraw/zinc/07/86/50/1168078650.db2.gz GWLRVEVTFRAQJD-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[N@@H+](C)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001418936111 1168078656 /nfs/dbraw/zinc/07/86/56/1168078656.db2.gz GWLRVEVTFRAQJD-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]C/C=C\Cl)C1CC1 ZINC001419250238 1168346006 /nfs/dbraw/zinc/34/60/06/1168346006.db2.gz KEFCSBWIIISCHL-JFCGUDLGSA-N 1 3 313.873 2.096 20 0 DEADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001419274760 1168366708 /nfs/dbraw/zinc/36/67/08/1168366708.db2.gz RGCMMISGLZZGGH-UONOGXRCSA-N 1 3 319.440 2.246 20 0 DEADHO Cc1ccc(F)cc1C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001419432892 1168470027 /nfs/dbraw/zinc/47/00/27/1168470027.db2.gz QSOOACGPDLTDJO-QAQDUYKDSA-N 1 3 321.440 2.211 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]C[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001420468916 1169609475 /nfs/dbraw/zinc/60/94/75/1169609475.db2.gz LLJSWQXWVJZBPZ-HIFRSBDPSA-N 1 3 321.440 2.070 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1)N(C)C ZINC001420546385 1169765467 /nfs/dbraw/zinc/76/54/67/1169765467.db2.gz OIXJGFLCZJPHNM-ROUUACIJSA-N 1 3 317.477 2.273 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1)N(C)C ZINC001420546385 1169765489 /nfs/dbraw/zinc/76/54/89/1169765489.db2.gz OIXJGFLCZJPHNM-ROUUACIJSA-N 1 3 317.477 2.273 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC001420550915 1169775936 /nfs/dbraw/zinc/77/59/36/1169775936.db2.gz AGBRHTHMTJVKRT-INIZCTEOSA-N 1 3 321.440 2.106 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC001420550915 1169775941 /nfs/dbraw/zinc/77/59/41/1169775941.db2.gz AGBRHTHMTJVKRT-INIZCTEOSA-N 1 3 321.440 2.106 20 0 DEADHO CCCN(C(=O)[C@H](F)CN(CC)CC)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001420804555 1171180920 /nfs/dbraw/zinc/18/09/20/1171180920.db2.gz NEUQMDHRSIHMHS-JKSUJKDBSA-N 1 3 315.477 2.388 20 0 DEADHO CCCN(C(=O)[C@H](F)CN(CC)CC)[C@H]1CC[N@H+](C(C)C)C1 ZINC001420804555 1171180928 /nfs/dbraw/zinc/18/09/28/1171180928.db2.gz NEUQMDHRSIHMHS-JKSUJKDBSA-N 1 3 315.477 2.388 20 0 DEADHO CCCN(C(=O)[C@@H](F)CN(CC)CC)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001420804550 1171181124 /nfs/dbraw/zinc/18/11/24/1171181124.db2.gz NEUQMDHRSIHMHS-CVEARBPZSA-N 1 3 315.477 2.388 20 0 DEADHO CCCN(C(=O)[C@@H](F)CN(CC)CC)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001420804550 1171181133 /nfs/dbraw/zinc/18/11/33/1171181133.db2.gz NEUQMDHRSIHMHS-CVEARBPZSA-N 1 3 315.477 2.388 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CC2CCCCCC2)CC1 ZINC001420997065 1171414059 /nfs/dbraw/zinc/41/40/59/1171414059.db2.gz GDCHHBFBRKAZMN-UHFFFAOYSA-N 1 3 318.465 2.469 20 0 DEADHO CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001421295451 1171686059 /nfs/dbraw/zinc/68/60/59/1171686059.db2.gz GFQSDTFWNSBILF-AEFFLSMTSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001421295451 1171686063 /nfs/dbraw/zinc/68/60/63/1171686063.db2.gz GFQSDTFWNSBILF-AEFFLSMTSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)NC1(C[NH2+]CC2CC(C)C2)CCCC1 ZINC001421533313 1171836862 /nfs/dbraw/zinc/83/68/62/1171836862.db2.gz WKIVMMJODUMGHC-UHFFFAOYSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)N1CCN(C2CC[NH+](C[C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC001421651896 1171883776 /nfs/dbraw/zinc/88/37/76/1171883776.db2.gz DYFUFWMRVKBXKE-HKUYNNGSSA-N 1 3 323.525 2.028 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@@H+](CC[C@@H](C)F)CC1(C)C ZINC001422095617 1172300869 /nfs/dbraw/zinc/30/08/69/1172300869.db2.gz WVEUCERPTLLERY-CABCVRRESA-N 1 3 315.477 2.291 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@H+](CC[C@@H](C)F)CC1(C)C ZINC001422095617 1172300878 /nfs/dbraw/zinc/30/08/78/1172300878.db2.gz WVEUCERPTLLERY-CABCVRRESA-N 1 3 315.477 2.291 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)CC[N@H+](C)CC1CC(C)C1 ZINC001422241706 1172431145 /nfs/dbraw/zinc/43/11/45/1172431145.db2.gz ALBCGJLKNMPSLQ-JCYILVPMSA-N 1 3 309.498 2.297 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)CC[N@@H+](C)CC1CC(C)C1 ZINC001422241706 1172431147 /nfs/dbraw/zinc/43/11/47/1172431147.db2.gz ALBCGJLKNMPSLQ-JCYILVPMSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H](CN[C@@H](C)c1ccccc1Cl)NC(=O)CC[NH+](C)C ZINC001422555488 1172704668 /nfs/dbraw/zinc/70/46/68/1172704668.db2.gz YTIRVEFVLQZQRW-OLZOCXBDSA-N 1 3 311.857 2.447 20 0 DEADHO CC[C@H](F)CN[C@@H](C)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001423142133 1173112691 /nfs/dbraw/zinc/11/26/91/1173112691.db2.gz QJXALCILFQMDTJ-HOCLYGCPSA-N 1 3 315.477 2.291 20 0 DEADHO CC[C@H](C(=O)N(C)C1CCC([NH2+]C/C=C\Cl)CC1)N(C)C ZINC001424861317 1173996450 /nfs/dbraw/zinc/99/64/50/1173996450.db2.gz VXPZMCXBNHLYPV-LLIRYYQMSA-N 1 3 315.889 2.438 20 0 DEADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccccc1 ZINC001425553975 1174369810 /nfs/dbraw/zinc/36/98/10/1174369810.db2.gz JFMFQXZZYCSMSO-OAHLLOKOSA-N 1 3 303.450 2.107 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C[NH2+]CC1CC(C)C1)C(C)(C)C ZINC001426151839 1174620556 /nfs/dbraw/zinc/62/05/56/1174620556.db2.gz YXWJWRSTKHWVIU-PXCJXSSVSA-N 1 3 320.481 2.427 20 0 DEADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C1(N(C)C)CCCC1 ZINC001433662199 1177918159 /nfs/dbraw/zinc/91/81/59/1177918159.db2.gz FZWBXDKNRZAJGV-BZUAXINKSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)ccc1-n1cncn1 ZINC001434499381 1178679967 /nfs/dbraw/zinc/67/99/67/1178679967.db2.gz LTSYKQZDUDXXHI-MRXNPFEDSA-N 1 3 311.433 2.150 20 0 DEADHO C[C@H]1[C@H](NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCN1C ZINC001434766449 1178872914 /nfs/dbraw/zinc/87/29/14/1178872914.db2.gz MVMJLOVVBLVCGQ-XUWVNRHRSA-N 1 3 324.513 2.135 20 0 DEADHO C[C@H]1[C@H](NC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCN1C ZINC001434766449 1178872916 /nfs/dbraw/zinc/87/29/16/1178872916.db2.gz MVMJLOVVBLVCGQ-XUWVNRHRSA-N 1 3 324.513 2.135 20 0 DEADHO CC(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001436359396 1179061976 /nfs/dbraw/zinc/06/19/76/1179061976.db2.gz LVOLJPHJRLRCCG-IYBDPMFKSA-N 1 3 311.514 2.495 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3)C2)CCC1 ZINC001436380134 1179071590 /nfs/dbraw/zinc/07/15/90/1179071590.db2.gz RHEHQQLRXIIBKJ-QAQDUYKDSA-N 1 3 315.461 2.155 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCCC[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001436472057 1179125608 /nfs/dbraw/zinc/12/56/08/1179125608.db2.gz ODTGNDAKQORJSH-SOIVGHGOSA-N 1 3 315.889 2.440 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001436976154 1179326445 /nfs/dbraw/zinc/32/64/45/1179326445.db2.gz NETWGKFJYRMDAL-RRQGHBQHSA-N 1 3 321.440 2.465 20 0 DEADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(CF)cc1 ZINC001437144228 1179484171 /nfs/dbraw/zinc/48/41/71/1179484171.db2.gz JDIUGHULCKTCOG-CQSZACIVSA-N 1 3 321.440 2.235 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001437240399 1179630353 /nfs/dbraw/zinc/63/03/53/1179630353.db2.gz CRLCRSNZIXSNAT-ZDUSSCGKSA-N 1 3 318.465 2.325 20 0 DEADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(F)cc1 ZINC001437380389 1179774279 /nfs/dbraw/zinc/77/42/79/1179774279.db2.gz KSNLYHUTGXLABK-CQSZACIVSA-N 1 3 321.440 2.294 20 0 DEADHO Cc1cc(C[NH2+][C@H](C)CCNC(=O)CN(C)C(C)C)cs1 ZINC001437429449 1179801675 /nfs/dbraw/zinc/80/16/75/1179801675.db2.gz UYVSAXGGLUQWCO-CYBMUJFWSA-N 1 3 311.495 2.381 20 0 DEADHO CCC(CC)C[N@@H+]1CC[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001437729423 1179910633 /nfs/dbraw/zinc/91/06/33/1179910633.db2.gz STNXJFKKLSZLMW-WBVHZDCISA-N 1 3 309.498 2.203 20 0 DEADHO CCC(CC)C[N@H+]1CC[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001437729423 1179910649 /nfs/dbraw/zinc/91/06/49/1179910649.db2.gz STNXJFKKLSZLMW-WBVHZDCISA-N 1 3 309.498 2.203 20 0 DEADHO C[C@@H](c1ccccc1)[NH+]1CC(CNC(=O)CN(C)C2CCC2)C1 ZINC001438131000 1180209106 /nfs/dbraw/zinc/20/91/06/1180209106.db2.gz WLKUPPBOXMKEEN-HNNXBMFYSA-N 1 3 315.461 2.280 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001438469570 1180466218 /nfs/dbraw/zinc/46/62/18/1180466218.db2.gz LOILPIIHJRKNHP-QGZVFWFLSA-N 1 3 303.450 2.107 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]CCC(F)(F)F)CCCC1 ZINC001438614604 1180665642 /nfs/dbraw/zinc/66/56/42/1180665642.db2.gz TUKDWBNDBYOFHU-UHFFFAOYSA-N 1 3 323.403 2.299 20 0 DEADHO Cc1cccc(C)c1C[NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001439182248 1180917761 /nfs/dbraw/zinc/91/77/61/1180917761.db2.gz PGVQUAAOLWETIK-MRXNPFEDSA-N 1 3 305.466 2.238 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCCc2ccccc21)N(C)C ZINC001439223026 1180947641 /nfs/dbraw/zinc/94/76/41/1180947641.db2.gz COQQDGSGWJENID-BMGDILEWSA-N 1 3 317.477 2.499 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)c1cccc(OC)c1)N(C)C ZINC001439226181 1180950407 /nfs/dbraw/zinc/95/04/07/1180950407.db2.gz QKZURWQVEYWTEE-JJRVBVJISA-N 1 3 321.465 2.191 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]Cc1ccsc1)C1CC1 ZINC001439498805 1181112918 /nfs/dbraw/zinc/11/29/18/1181112918.db2.gz PZZPCAUIKFDPSV-OAHLLOKOSA-N 1 3 309.479 2.073 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(C)cc2C)CC1)N(C)C ZINC001439666765 1181192898 /nfs/dbraw/zinc/19/28/98/1181192898.db2.gz KAWDROFIGFUUJW-KRWDZBQOSA-N 1 3 317.477 2.382 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001440301742 1181434683 /nfs/dbraw/zinc/43/46/83/1181434683.db2.gz HKPKZOHTEIUWRM-INMHGKMJSA-N 1 3 321.509 2.249 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H](C)CC)C1 ZINC001440342107 1181456373 /nfs/dbraw/zinc/45/63/73/1181456373.db2.gz NNJXWKQIAGWOOJ-QAETUUGQSA-N 1 3 309.498 2.391 20 0 DEADHO CN(CCC[N@H+](C)CC1CCCC1)C(=O)CN(C)C1CCC1 ZINC001440428256 1181508716 /nfs/dbraw/zinc/50/87/16/1181508716.db2.gz AQFLBRVPCYPRIR-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CN(CCC[N@@H+](C)CC1CCCC1)C(=O)CN(C)C1CCC1 ZINC001440428256 1181508730 /nfs/dbraw/zinc/50/87/30/1181508730.db2.gz AQFLBRVPCYPRIR-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)CC[NH2+][C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001440611801 1181612399 /nfs/dbraw/zinc/61/23/99/1181612399.db2.gz XQUCQXHKSQWNIL-CVEARBPZSA-N 1 3 311.514 2.447 20 0 DEADHO Cc1ccc(CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)C(C)C)cc1 ZINC001440849330 1181727122 /nfs/dbraw/zinc/72/71/22/1181727122.db2.gz BYFHEQTXBWAXAU-DLBZAZTESA-N 1 3 319.493 2.361 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1C)N(C)C ZINC001440991675 1181816014 /nfs/dbraw/zinc/81/60/14/1181816014.db2.gz ADWGVIZJHNKPKW-RDJZCZTQSA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1C)N(C)C ZINC001440991675 1181816015 /nfs/dbraw/zinc/81/60/15/1181816015.db2.gz ADWGVIZJHNKPKW-RDJZCZTQSA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@@H](F)CN(C)C[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001441304067 1181938644 /nfs/dbraw/zinc/93/86/44/1181938644.db2.gz SJBHVEZRWZYJFB-HZPDHXFCSA-N 1 3 315.477 2.247 20 0 DEADHO CC[C@@H](F)CN(C)C[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001441304067 1181938651 /nfs/dbraw/zinc/93/86/51/1181938651.db2.gz SJBHVEZRWZYJFB-HZPDHXFCSA-N 1 3 315.477 2.247 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC([N@H+](C)CCCF)CC1 ZINC001441396885 1181976548 /nfs/dbraw/zinc/97/65/48/1181976548.db2.gz SGDUGVMKBRVEPI-MRXNPFEDSA-N 1 3 313.461 2.143 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC([N@@H+](C)CCCF)CC1 ZINC001441396885 1181976553 /nfs/dbraw/zinc/97/65/53/1181976553.db2.gz SGDUGVMKBRVEPI-MRXNPFEDSA-N 1 3 313.461 2.143 20 0 DEADHO CC(C)C[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001441509913 1182032511 /nfs/dbraw/zinc/03/25/11/1182032511.db2.gz MQBSJEOFIPNWPA-TWMKSMIVSA-N 1 3 309.498 2.247 20 0 DEADHO CC[C@H](F)CN[C@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001441536364 1182047185 /nfs/dbraw/zinc/04/71/85/1182047185.db2.gz ILHHWFQAMLRQEF-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO C[NH+](C)CCCC(=O)NC[C@H]1CCCN(Cc2ccsc2)C1 ZINC001441567761 1182063320 /nfs/dbraw/zinc/06/33/20/1182063320.db2.gz KVKUDCXHJHAJLQ-OAHLLOKOSA-N 1 3 323.506 2.418 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001441601456 1182084389 /nfs/dbraw/zinc/08/43/89/1182084389.db2.gz YHEMWMBYVSRINR-SJORKVTESA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001441601456 1182084394 /nfs/dbraw/zinc/08/43/94/1182084394.db2.gz YHEMWMBYVSRINR-SJORKVTESA-N 1 3 309.498 2.203 20 0 DEADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)cc1C ZINC001441618588 1182093199 /nfs/dbraw/zinc/09/31/99/1182093199.db2.gz FJXKAWLJBFXWCF-HNNXBMFYSA-N 1 3 323.456 2.412 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001441844617 1182210675 /nfs/dbraw/zinc/21/06/75/1182210675.db2.gz HUEJBDDDGADVFP-GDBMZVCRSA-N 1 3 309.498 2.390 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C1CC1)N(C)C ZINC001441848470 1182213178 /nfs/dbraw/zinc/21/31/78/1182213178.db2.gz FSKRUQLZVTZWRS-RDTXWAMCSA-N 1 3 317.477 2.499 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccccc1C1CC1)N(C)C ZINC001441848465 1182213630 /nfs/dbraw/zinc/21/36/30/1182213630.db2.gz FSKRUQLZVTZWRS-KBXCAEBGSA-N 1 3 317.477 2.499 20 0 DEADHO C[C@H](F)CC[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC001441913675 1182247429 /nfs/dbraw/zinc/24/74/29/1182247429.db2.gz DOGMMJBTJALMQZ-KBPBESRZSA-N 1 3 313.461 2.045 20 0 DEADHO Cc1cc(C)c(CN(C)CCNC(=O)[C@H]2CC[N@H+](C)C2)c(C)c1 ZINC001442604309 1182566420 /nfs/dbraw/zinc/56/64/20/1182566420.db2.gz AMZRQLQRVPUWJE-KRWDZBQOSA-N 1 3 317.477 2.112 20 0 DEADHO Cc1cc(C)c(CN(C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)c(C)c1 ZINC001442604309 1182566431 /nfs/dbraw/zinc/56/64/31/1182566431.db2.gz AMZRQLQRVPUWJE-KRWDZBQOSA-N 1 3 317.477 2.112 20 0 DEADHO CCN(CCNC(=O)CC[NH+](C)C)Cc1cc2ccccc2o1 ZINC001442730436 1182671829 /nfs/dbraw/zinc/67/18/29/1182671829.db2.gz QZJBHPQNMUTQPO-UHFFFAOYSA-N 1 3 317.433 2.323 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCCN1Cc1ccc(C)cc1 ZINC001442809766 1182721607 /nfs/dbraw/zinc/72/16/07/1182721607.db2.gz AYDXHQIPWNJUTR-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN1Cc1ccc(C)cc1 ZINC001442809766 1182721611 /nfs/dbraw/zinc/72/16/11/1182721611.db2.gz AYDXHQIPWNJUTR-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCN1C)c1ccc(F)cc1 ZINC001443103500 1182848058 /nfs/dbraw/zinc/84/80/58/1182848058.db2.gz NVGHYNFEECFOSQ-IRXDYDNUSA-N 1 3 321.440 2.419 20 0 DEADHO C[C@@H](CNCc1ccccc1F)N(C)C(=O)CCC[NH+](C)C ZINC001444664712 1183507889 /nfs/dbraw/zinc/50/78/89/1183507889.db2.gz CHHALEYYHFMGLY-AWEZNQCLSA-N 1 3 309.429 2.104 20 0 DEADHO Cc1ccc(C)c(C[NH2+]C[C@@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001445392138 1183859719 /nfs/dbraw/zinc/85/97/19/1183859719.db2.gz ZENNULAFFKGQOO-MRXNPFEDSA-N 1 3 317.477 2.382 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C[NH2+]CC1CC(C)(C)C1)C1CC1)N(C)C ZINC001445992690 1184168308 /nfs/dbraw/zinc/16/83/08/1184168308.db2.gz OVCRWNGPBHFTIK-SJORKVTESA-N 1 3 323.525 2.493 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@@H+](CCC3CCCC3)C[C@@H]2C1 ZINC001446993163 1184601992 /nfs/dbraw/zinc/60/19/92/1184601992.db2.gz ZQYJLCFNGCAZDJ-HDICACEKSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@H+](CCC3CCCC3)C[C@@H]2C1 ZINC001446993163 1184602001 /nfs/dbraw/zinc/60/20/01/1184602001.db2.gz ZQYJLCFNGCAZDJ-HDICACEKSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@@H](CCNC(=O)[C@H]1CCCN1C)[NH2+][C@@H](C)c1ccccc1F ZINC001447658321 1184838354 /nfs/dbraw/zinc/83/83/54/1184838354.db2.gz KRNNKUQSWCOEAC-GRDNDAEWSA-N 1 3 321.440 2.465 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CC(C)C1 ZINC001447764593 1184863826 /nfs/dbraw/zinc/86/38/26/1184863826.db2.gz BEEHDGUNXPMXIY-JCYILVPMSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC(C)C1 ZINC001447764593 1184863828 /nfs/dbraw/zinc/86/38/28/1184863828.db2.gz BEEHDGUNXPMXIY-JCYILVPMSA-N 1 3 309.498 2.296 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CC(C)C)C1CC1 ZINC001448606407 1185318850 /nfs/dbraw/zinc/31/88/50/1185318850.db2.gz YPVVRZUAIHYKTN-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccc(F)cc1 ZINC001448729749 1185386984 /nfs/dbraw/zinc/38/69/84/1185386984.db2.gz UQMLNZZTWTVYBI-HUUCEWRRSA-N 1 3 321.440 2.104 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCC2CCCC2)C[C@H]1C ZINC001449009858 1185483250 /nfs/dbraw/zinc/48/32/50/1185483250.db2.gz HFZDOCZBLNCJQV-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N(C)Cc1cnc2n1CCN(c1cccc(N)[nH+]1)[C@H]2C ZINC001164857851 720940969 /nfs/dbraw/zinc/94/09/69/720940969.db2.gz HNGVVUFYPALASY-ZDUSSCGKSA-N 1 3 314.437 2.282 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2Cl)C1)N(C)C ZINC001370522403 1149804558 /nfs/dbraw/zinc/80/45/58/1149804558.db2.gz MNYJUVVIGOEBAY-DZKIICNBSA-N 1 3 323.868 2.417 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]1C[N@H+](C)CCCF)CC(C)(C)C ZINC001408358718 1165612942 /nfs/dbraw/zinc/61/29/42/1165612942.db2.gz WZBVIOAWYLPULY-OAHLLOKOSA-N 1 3 315.477 2.247 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]1C[N@@H+](C)CCCF)CC(C)(C)C ZINC001408358718 1165612944 /nfs/dbraw/zinc/61/29/44/1165612944.db2.gz WZBVIOAWYLPULY-OAHLLOKOSA-N 1 3 315.477 2.247 20 0 DEADHO CC(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249587 782569310 /nfs/dbraw/zinc/56/93/10/782569310.db2.gz LKQWQLKHQTZQMO-OIISXLGYSA-N 1 3 309.498 2.057 20 0 DEADHO CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001106312286 782647695 /nfs/dbraw/zinc/64/76/95/782647695.db2.gz AXNVFDKVMKEXJK-DJIMGWMZSA-N 1 3 311.514 2.447 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC[C@@H](C)F)[C@H](C)C1 ZINC001106340016 782662515 /nfs/dbraw/zinc/66/25/15/782662515.db2.gz IBHNVLBGNKOMLO-RBSFLKMASA-N 1 3 315.477 2.149 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]CCC1CC1 ZINC001106672755 782844756 /nfs/dbraw/zinc/84/47/56/782844756.db2.gz JDGNQRWAOKHVAV-NVXWUHKLSA-N 1 3 323.525 2.449 20 0 DEADHO CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)CC(C)(C)C1 ZINC001089381812 783060772 /nfs/dbraw/zinc/06/07/72/783060772.db2.gz OOLRJJRLFJMCIP-CVEARBPZSA-N 1 3 309.498 2.486 20 0 DEADHO CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)CC(C)(C)C1 ZINC001089381812 783060777 /nfs/dbraw/zinc/06/07/77/783060777.db2.gz OOLRJJRLFJMCIP-CVEARBPZSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001072982782 790355088 /nfs/dbraw/zinc/35/50/88/790355088.db2.gz AIWZMMXBMVTTQK-INIZCTEOSA-N 1 3 321.509 2.299 20 0 DEADHO CC[C@H](C)C[N@H+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001072982782 790355099 /nfs/dbraw/zinc/35/50/99/790355099.db2.gz AIWZMMXBMVTTQK-INIZCTEOSA-N 1 3 321.509 2.299 20 0 DEADHO [NH3+]CCCCN1CCN([C@H]2CCc3cccc(F)c3C2)CC1 ZINC001170977709 790364306 /nfs/dbraw/zinc/36/43/06/790364306.db2.gz PHELDQKOPDTPEA-INIZCTEOSA-N 1 3 305.441 2.040 20 0 DEADHO [NH3+]CCCCN1CCN([C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001170977711 790364508 /nfs/dbraw/zinc/36/45/08/790364508.db2.gz PHELDQKOPDTPEA-MRXNPFEDSA-N 1 3 305.441 2.040 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC(C)C)C1)N(C)C ZINC001104348705 777095657 /nfs/dbraw/zinc/09/56/57/777095657.db2.gz QCWCFUHUSXVCIN-BRWVUGGUSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+]CC1CC(C)C1 ZINC001167636396 777413385 /nfs/dbraw/zinc/41/33/85/777413385.db2.gz UMEBQZULSUCRCC-OFLPRAFFSA-N 1 3 309.498 2.391 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3nc[nH]c3C)C(C)(C)[C@@H]21 ZINC001087316526 777776811 /nfs/dbraw/zinc/77/68/11/777776811.db2.gz SWIJEHDKXANWKG-KBRIMQKVSA-N 1 3 318.465 2.276 20 0 DEADHO CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3nc[nH]c3C)C(C)(C)[C@@H]21 ZINC001087316526 777776815 /nfs/dbraw/zinc/77/68/15/777776815.db2.gz SWIJEHDKXANWKG-KBRIMQKVSA-N 1 3 318.465 2.276 20 0 DEADHO Cc1nc([C@H]2CCC[NH2+]C2)cc(-n2nc(CN)c3ccccc32)n1 ZINC001167696381 777874670 /nfs/dbraw/zinc/87/46/70/777874670.db2.gz GGPYUWKLHQOYPT-ZDUSSCGKSA-N 1 3 322.416 2.050 20 0 DEADHO CC(C)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001104682167 778020237 /nfs/dbraw/zinc/02/02/37/778020237.db2.gz FAJQBZQWWWQXSW-IAGOWNOFSA-N 1 3 323.525 2.449 20 0 DEADHO CCN(CC)CC(=O)NCC1CC([NH2+]Cc2ccc(F)cc2)C1 ZINC001100769752 778141012 /nfs/dbraw/zinc/14/10/12/778141012.db2.gz ZJEDHGZSEZAYLY-UHFFFAOYSA-N 1 3 321.440 2.152 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC2CC2)C1)N(C)C ZINC001112531757 778654817 /nfs/dbraw/zinc/65/48/17/778654817.db2.gz PBAZSXVHFGDMIN-LNLFQRSKSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@@H+]1CCC1CC1 ZINC001087640695 779393606 /nfs/dbraw/zinc/39/36/06/779393606.db2.gz RTDIAMWEQFBNLX-DLBZAZTESA-N 1 3 319.493 2.384 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@H+]1CCC1CC1 ZINC001087640695 779393613 /nfs/dbraw/zinc/39/36/13/779393613.db2.gz RTDIAMWEQFBNLX-DLBZAZTESA-N 1 3 319.493 2.384 20 0 DEADHO CN(C)[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CC2CC2)C1)C1CC1 ZINC001088327588 779960241 /nfs/dbraw/zinc/96/02/41/779960241.db2.gz QZXKDJZDJQFXLH-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccccn3)CC2)CCO1 ZINC001168091954 779999318 /nfs/dbraw/zinc/99/93/18/779999318.db2.gz CURLZNVJLFYWBC-RDJZCZTQSA-N 1 3 303.450 2.451 20 0 DEADHO CC(C)C[NH2+][C@@H]1CCCCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001088382073 780052016 /nfs/dbraw/zinc/05/20/16/780052016.db2.gz UGAHQLBCNFVRTA-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO c1ccc2c(c1)OC[C@H](C[NH2+]C1CCN(CC3CC3)CC1)O2 ZINC001168353060 780875405 /nfs/dbraw/zinc/87/54/05/780875405.db2.gz IWBWZYQPRCOCRG-INIZCTEOSA-N 1 3 302.418 2.290 20 0 DEADHO CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)[C@H]1C ZINC001088812300 781029594 /nfs/dbraw/zinc/02/95/94/781029594.db2.gz XOTLWLFUVLWNPG-PVAVHDDUSA-N 1 3 307.482 2.382 20 0 DEADHO CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)[C@H]1C ZINC001088812300 781029604 /nfs/dbraw/zinc/02/96/04/781029604.db2.gz XOTLWLFUVLWNPG-PVAVHDDUSA-N 1 3 307.482 2.382 20 0 DEADHO CCN1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088812300 781029607 /nfs/dbraw/zinc/02/96/07/781029607.db2.gz XOTLWLFUVLWNPG-PVAVHDDUSA-N 1 3 307.482 2.382 20 0 DEADHO CCN1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088812300 781029618 /nfs/dbraw/zinc/02/96/18/781029618.db2.gz XOTLWLFUVLWNPG-PVAVHDDUSA-N 1 3 307.482 2.382 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CCC2CC2)[C@H](C)C1 ZINC000947979868 783283804 /nfs/dbraw/zinc/28/38/04/783283804.db2.gz MINPNWCLVUCBQD-IUODEOHRSA-N 1 3 304.438 2.030 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CCC2CC2)[C@H](C)C1 ZINC000947979868 783283814 /nfs/dbraw/zinc/28/38/14/783283814.db2.gz MINPNWCLVUCBQD-IUODEOHRSA-N 1 3 304.438 2.030 20 0 DEADHO Cc1cc(C)cc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC000967709316 784098753 /nfs/dbraw/zinc/09/87/53/784098753.db2.gz ZHFISYBQMKTUIV-QZTJIDSGSA-N 1 3 315.461 2.088 20 0 DEADHO CN(C[C@H]1CCN1CCCC1CCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001085968411 784266806 /nfs/dbraw/zinc/26/68/06/784266806.db2.gz JABLRLKISBVBTR-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C[C@H]1CCN1CCCC1CCCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001085968411 784266808 /nfs/dbraw/zinc/26/68/08/784266808.db2.gz JABLRLKISBVBTR-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CC2)C1 ZINC001086084650 784393740 /nfs/dbraw/zinc/39/37/40/784393740.db2.gz ZOYRVSLCHLHZTQ-BBWFWOEESA-N 1 3 307.482 2.144 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCCNCc2ccc(F)cc2)C1 ZINC001129326772 784435389 /nfs/dbraw/zinc/43/53/89/784435389.db2.gz CRZWVOLKHMBZIJ-INIZCTEOSA-N 1 3 321.440 2.009 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCCNCc2ccc(F)cc2)C1 ZINC001129326772 784435394 /nfs/dbraw/zinc/43/53/94/784435394.db2.gz CRZWVOLKHMBZIJ-INIZCTEOSA-N 1 3 321.440 2.009 20 0 DEADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1)c1ccccc1 ZINC000968921849 784652272 /nfs/dbraw/zinc/65/22/72/784652272.db2.gz LFVDJTQZPZSKOK-DOTOQJQBSA-N 1 3 315.461 2.422 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001007327313 784888872 /nfs/dbraw/zinc/88/88/72/784888872.db2.gz NGMHMRSKAUNUGT-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001007327313 784888879 /nfs/dbraw/zinc/88/88/79/784888879.db2.gz NGMHMRSKAUNUGT-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO [NH3+][C@@H]1CCc2nn(-c3ccc(F)c(CN4CCCC4)c3)cc2C1 ZINC001168817011 784917333 /nfs/dbraw/zinc/91/73/33/784917333.db2.gz IEMWNVTXKKQZJG-OAHLLOKOSA-N 1 3 314.408 2.423 20 0 DEADHO CC[NH+]1C[C@@H]2CN([C@@H]3C[C@@H](C)N(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC001168879326 784954999 /nfs/dbraw/zinc/95/49/99/784954999.db2.gz HAMRCJOONMCZNI-KLHDSHLOSA-N 1 3 323.481 2.268 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(C)CN(C(=O)OC(C)(C)C)C1)C2 ZINC001169092234 785041406 /nfs/dbraw/zinc/04/14/06/785041406.db2.gz AJAJBFCPDVNLJX-BTTYYORXSA-N 1 3 309.454 2.211 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCN(Cc3ccncc3)CC1)C2 ZINC001169124530 785046552 /nfs/dbraw/zinc/04/65/52/785046552.db2.gz DZPQMIDVTVWGGJ-BWTSREIZSA-N 1 3 314.477 2.215 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCN(Cc3ccncc3)CC1)C2 ZINC001169124530 785046561 /nfs/dbraw/zinc/04/65/61/785046561.db2.gz DZPQMIDVTVWGGJ-BWTSREIZSA-N 1 3 314.477 2.215 20 0 DEADHO CC(C)CC(=O)NC1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169143163 785062494 /nfs/dbraw/zinc/06/24/94/785062494.db2.gz YPAMEYASIQSLCQ-BJWYYQGGSA-N 1 3 307.482 2.238 20 0 DEADHO CC(C)CC(=O)NC1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169143163 785062500 /nfs/dbraw/zinc/06/25/00/785062500.db2.gz YPAMEYASIQSLCQ-BJWYYQGGSA-N 1 3 307.482 2.238 20 0 DEADHO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169156722 785072829 /nfs/dbraw/zinc/07/28/29/785072829.db2.gz ZQMFYHRVMUZXOV-HAEOWDPNSA-N 1 3 306.450 2.275 20 0 DEADHO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169156722 785072839 /nfs/dbraw/zinc/07/28/39/785072839.db2.gz ZQMFYHRVMUZXOV-HAEOWDPNSA-N 1 3 306.450 2.275 20 0 DEADHO O=C(N[C@@H]1CCC[N@H+](CCC2CC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001008053125 785090871 /nfs/dbraw/zinc/09/08/71/785090871.db2.gz RTKBOOJIDLRKRF-QZTJIDSGSA-N 1 3 319.493 2.242 20 0 DEADHO O=C(N[C@@H]1CCC[N@@H+](CCC2CC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001008053125 785090883 /nfs/dbraw/zinc/09/08/83/785090883.db2.gz RTKBOOJIDLRKRF-QZTJIDSGSA-N 1 3 319.493 2.242 20 0 DEADHO CC[NH+]1CCC(N2CCC[C@@]3(CCCCN3C(C)=O)C2)CC1 ZINC001169254383 785118477 /nfs/dbraw/zinc/11/84/77/785118477.db2.gz DNSAKPNFYAJMER-SFHVURJKSA-N 1 3 307.482 2.338 20 0 DEADHO N[C@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)C1 ZINC001171239791 791103331 /nfs/dbraw/zinc/10/33/31/791103331.db2.gz SQEWYHFBECOCJA-XNHLSEOASA-N 1 3 313.445 2.245 20 0 DEADHO N[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)C1 ZINC001171239791 791103337 /nfs/dbraw/zinc/10/33/37/791103337.db2.gz SQEWYHFBECOCJA-XNHLSEOASA-N 1 3 313.445 2.245 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N[C@H]2CCCN(CCCF)C2)CC1 ZINC001009051238 785370415 /nfs/dbraw/zinc/37/04/15/785370415.db2.gz PJSCMZFTQJRYGA-INIZCTEOSA-N 1 3 313.461 2.047 20 0 DEADHO C[NH+](C)CCCC(=O)N1CCN(CC2CCCCCC2)CC1 ZINC001113275734 786500922 /nfs/dbraw/zinc/50/09/22/786500922.db2.gz XOIWDPXBOTXYBS-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO C[NH+]1CCC(C(=O)N[C@@H]2CCN(CC3=CCCCC3)C2)CC1 ZINC001015648269 787157157 /nfs/dbraw/zinc/15/71/57/787157157.db2.gz FLAAHXQXRRGZBC-QGZVFWFLSA-N 1 3 305.466 2.019 20 0 DEADHO CN(C)[C@H](C(=O)NCC[NH2+]CC1CCC2(CC2)CC1)C1CC1 ZINC001129444701 787212204 /nfs/dbraw/zinc/21/22/04/787212204.db2.gz XKTCDJPKWYDPBK-INIZCTEOSA-N 1 3 307.482 2.003 20 0 DEADHO CN(CC(=O)NCC[NH2+][C@H]1CCCc2ccccc21)C1CCC1 ZINC001129534987 787225726 /nfs/dbraw/zinc/22/57/26/787225726.db2.gz GLZDSKBJRRHZLL-SFHVURJKSA-N 1 3 315.461 2.254 20 0 DEADHO O=C(NCCNCc1cccc(F)c1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130187430 787310912 /nfs/dbraw/zinc/31/09/12/787310912.db2.gz UWIXTIFZISICBZ-IRXDYDNUSA-N 1 3 319.424 2.048 20 0 DEADHO O=C(NCCNCc1cccc(F)c1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001130187430 787310923 /nfs/dbraw/zinc/31/09/23/787310923.db2.gz UWIXTIFZISICBZ-IRXDYDNUSA-N 1 3 319.424 2.048 20 0 DEADHO CCCOc1cccc(C[NH2+]CCNC(=O)[C@@H](CC)N(C)C)c1 ZINC001130203722 787314314 /nfs/dbraw/zinc/31/43/14/787314314.db2.gz VNUYUKCNZMIBRZ-QGZVFWFLSA-N 1 3 321.465 2.021 20 0 DEADHO C[C@H](Nc1ccc([C@H]2CCCC[N@@H+]2C)cn1)[C@@H]1CNCCO1 ZINC001170574753 787667435 /nfs/dbraw/zinc/66/74/35/787667435.db2.gz WPPIQKVQZFBRJE-IMJJTQAJSA-N 1 3 304.438 2.027 20 0 DEADHO C[C@H](Nc1ccc([C@H]2CCCC[N@H+]2C)cn1)[C@@H]1CNCCO1 ZINC001170574753 787667439 /nfs/dbraw/zinc/66/74/39/787667439.db2.gz WPPIQKVQZFBRJE-IMJJTQAJSA-N 1 3 304.438 2.027 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCF ZINC001158473006 787777356 /nfs/dbraw/zinc/77/73/56/787777356.db2.gz IWEJFKVVFJUQGA-HZPDHXFCSA-N 1 3 313.461 2.143 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCF ZINC001158473006 787777363 /nfs/dbraw/zinc/77/73/63/787777363.db2.gz IWEJFKVVFJUQGA-HZPDHXFCSA-N 1 3 313.461 2.143 20 0 DEADHO Cc1ccc(CCC[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001133419303 788409353 /nfs/dbraw/zinc/40/93/53/788409353.db2.gz MBZIDPMYFJOAMG-GOSISDBHSA-N 1 3 319.493 2.220 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[NH2+]CCC2CCCCCC2)C1 ZINC001133845762 788638453 /nfs/dbraw/zinc/63/84/53/788638453.db2.gz MUYXBFDAHXLALP-INIZCTEOSA-N 1 3 309.498 2.395 20 0 DEADHO Cc1ccc(C[NH2+]CCNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001133896472 788663701 /nfs/dbraw/zinc/66/37/01/788663701.db2.gz KKIQRIMCIURBMN-UHFFFAOYSA-N 1 3 305.466 2.179 20 0 DEADHO CN(CC(=O)NCC[NH2+]Cc1cccc(F)c1)CC(C)(C)C ZINC001133899616 788669115 /nfs/dbraw/zinc/66/91/15/788669115.db2.gz OWCFQGWFKPGVIE-UHFFFAOYSA-N 1 3 309.429 2.009 20 0 DEADHO CCCOc1cccc(C[NH2+]CCNC(=O)[C@H](CC)N(C)C)c1 ZINC001133966047 788696780 /nfs/dbraw/zinc/69/67/80/788696780.db2.gz VNUYUKCNZMIBRZ-KRWDZBQOSA-N 1 3 321.465 2.021 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+][C@H]1CCCc2ccccc21)N(C)C ZINC001133966067 788696917 /nfs/dbraw/zinc/69/69/17/788696917.db2.gz VVTGWBJRGPASLQ-IRXDYDNUSA-N 1 3 303.450 2.110 20 0 DEADHO C[C@@H](C[C@H](C)[NH2+]CC1CCC1)NC(=O)CN1CCC(C)(C)C1 ZINC001135475721 789365600 /nfs/dbraw/zinc/36/56/00/789365600.db2.gz FNHUEMBYGMNQND-GJZGRUSLSA-N 1 3 309.498 2.391 20 0 DEADHO CCCCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(CC)CC ZINC001135705677 789459948 /nfs/dbraw/zinc/45/99/48/789459948.db2.gz HUMOEYDYIGVMCC-HZPDHXFCSA-N 1 3 315.502 2.018 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]Cc2ccsc2)[C@@H]1C ZINC001074877728 791364284 /nfs/dbraw/zinc/36/42/84/791364284.db2.gz JLKIYMSQGUDWPX-DZKIICNBSA-N 1 3 321.490 2.311 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)C[C@]2(C)C1 ZINC001091667451 791637480 /nfs/dbraw/zinc/63/74/80/791637480.db2.gz UNLGTONDTRKTJW-LMMKCTJWSA-N 1 3 321.509 2.296 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)C[C@]2(C)C1 ZINC001091667451 791637485 /nfs/dbraw/zinc/63/74/85/791637485.db2.gz UNLGTONDTRKTJW-LMMKCTJWSA-N 1 3 321.509 2.296 20 0 DEADHO CC/C=C/CC[N@@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001148292771 791730780 /nfs/dbraw/zinc/73/07/80/791730780.db2.gz SNTFTLICZZCHDQ-LAQIPUCWSA-N 1 3 319.493 2.219 20 0 DEADHO CC/C=C/CC[N@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001148292771 791730787 /nfs/dbraw/zinc/73/07/87/791730787.db2.gz SNTFTLICZZCHDQ-LAQIPUCWSA-N 1 3 319.493 2.219 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001148643229 791780419 /nfs/dbraw/zinc/78/04/19/791780419.db2.gz VOQIKMXNOUKROT-UHFFFAOYSA-N 1 3 303.450 2.112 20 0 DEADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@H+](CCCCCF)C2 ZINC001148845217 791810788 /nfs/dbraw/zinc/81/07/88/791810788.db2.gz YSFOEJFSQSFQGI-UHFFFAOYSA-N 1 3 313.461 2.001 20 0 DEADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@@H+](CCCCCF)C2 ZINC001148845217 791810793 /nfs/dbraw/zinc/81/07/93/791810793.db2.gz YSFOEJFSQSFQGI-UHFFFAOYSA-N 1 3 313.461 2.001 20 0 DEADHO CC[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CCC(C)CC3)C2)CC1 ZINC001086951197 791862294 /nfs/dbraw/zinc/86/22/94/791862294.db2.gz XCOGNLHGNKGQBJ-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](C(C)C)C[C@@]2(C)C1 ZINC001092071413 791928156 /nfs/dbraw/zinc/92/81/56/791928156.db2.gz UZTKFECWSKGPPX-LMMKCTJWSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](C(C)C)C[C@@]2(C)C1 ZINC001092071413 791928158 /nfs/dbraw/zinc/92/81/58/791928158.db2.gz UZTKFECWSKGPPX-LMMKCTJWSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)N1CCCC1)C2 ZINC001111462153 791981200 /nfs/dbraw/zinc/98/12/00/791981200.db2.gz IFGVZZVVGHHJKI-BDXSIMOUSA-N 1 3 321.509 2.484 20 0 DEADHO CC(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)N1CCCC1)C2 ZINC001111462153 791981208 /nfs/dbraw/zinc/98/12/08/791981208.db2.gz IFGVZZVVGHHJKI-BDXSIMOUSA-N 1 3 321.509 2.484 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC ZINC001099097690 792090702 /nfs/dbraw/zinc/09/07/02/792090702.db2.gz CZJDTFGTRSNKAW-HUUCEWRRSA-N 1 3 315.477 2.293 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC ZINC001099097690 792090714 /nfs/dbraw/zinc/09/07/14/792090714.db2.gz CZJDTFGTRSNKAW-HUUCEWRRSA-N 1 3 315.477 2.293 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CC2)C1 ZINC001099496098 792224289 /nfs/dbraw/zinc/22/42/89/792224289.db2.gz AWYYFOVENSNSEC-AYBZRNKSSA-N 1 3 319.493 2.099 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC=C(C)C)C1 ZINC001100383011 792621384 /nfs/dbraw/zinc/62/13/84/792621384.db2.gz HKCLTHFRKLUZKB-OFLPRAFFSA-N 1 3 307.482 2.311 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCC1CC([NH2+]C/C=C\Cl)C1 ZINC001100382941 792621966 /nfs/dbraw/zinc/62/19/66/792621966.db2.gz DVFQCOLBDHSRJM-AVEVHOPNSA-N 1 3 313.873 2.098 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCC1CC([NH2+]CC=C(C)C)C1 ZINC001100383010 792622164 /nfs/dbraw/zinc/62/21/64/792622164.db2.gz HKCLTHFRKLUZKB-JCYILVPMSA-N 1 3 307.482 2.311 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1cccnc1)N(C)C ZINC001171501635 793114370 /nfs/dbraw/zinc/11/43/70/793114370.db2.gz UTFGQMLHZYIUET-NVXWUHKLSA-N 1 3 320.481 2.186 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1ocnc1C)N(C)C ZINC001171508623 793118191 /nfs/dbraw/zinc/11/81/91/793118191.db2.gz HGPVUCHEESUZFC-DZGCQCFKSA-N 1 3 324.469 2.088 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1cc2ccccc2o1 ZINC001171757942 793197989 /nfs/dbraw/zinc/19/79/89/793197989.db2.gz PVTOGFILUXMNFB-UHFFFAOYSA-N 1 3 317.433 2.371 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001171770575 793202342 /nfs/dbraw/zinc/20/23/42/793202342.db2.gz SZSUAKAJHIVSCL-CQSZACIVSA-N 1 3 309.429 2.324 20 0 DEADHO CC1(C)C[C@H]([N@@H+]2CCNC(=O)CC2)CCN1Cc1ccccc1 ZINC001171977307 793287286 /nfs/dbraw/zinc/28/72/86/793287286.db2.gz PXKNAGUWZZEDGB-QGZVFWFLSA-N 1 3 315.461 2.252 20 0 DEADHO CC1(C)C[C@H]([N@H+]2CCNC(=O)CC2)CCN1Cc1ccccc1 ZINC001171977307 793287289 /nfs/dbraw/zinc/28/72/89/793287289.db2.gz PXKNAGUWZZEDGB-QGZVFWFLSA-N 1 3 315.461 2.252 20 0 DEADHO CN(CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)OC(C)(C)C ZINC001172100888 793314212 /nfs/dbraw/zinc/31/42/12/793314212.db2.gz UNLMJRBKRKHBDM-QDMKHBRRSA-N 1 3 311.470 2.458 20 0 DEADHO CN(CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)OC(C)(C)C ZINC001172100888 793314219 /nfs/dbraw/zinc/31/42/19/793314219.db2.gz UNLMJRBKRKHBDM-QDMKHBRRSA-N 1 3 311.470 2.458 20 0 DEADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](N3CCOCC3)CC1)C2 ZINC001172112646 793336152 /nfs/dbraw/zinc/33/61/52/793336152.db2.gz YGKNNOYXZKRBIK-YCEIQTCASA-N 1 3 321.509 2.235 20 0 DEADHO CN1[C@H]2COC[C@@H]1CC(N[C@H](CC[NH+](C)C)c1ccccc1)C2 ZINC001172124305 793344519 /nfs/dbraw/zinc/34/45/19/793344519.db2.gz ALIHGCWXNTVOMD-XVLXNVKGSA-N 1 3 317.477 2.131 20 0 DEADHO COCCC[NH+]1CCC(N[C@@H]2CC(C)(C)N(O)C2(C)C)CC1 ZINC001172246059 793385574 /nfs/dbraw/zinc/38/55/74/793385574.db2.gz DWSLNZZCALBCMJ-OAHLLOKOSA-N 1 3 313.486 2.098 20 0 DEADHO CCOC(=O)CC1([NH3+])CCN([C@H](C)CCO[C@@H](C)CC)CC1 ZINC001172337003 793410461 /nfs/dbraw/zinc/41/04/61/793410461.db2.gz JAILPNAOGWDJGP-CABCVRRESA-N 1 3 314.470 2.327 20 0 DEADHO CC(C)[N@H+](CCCN)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001172993029 793561218 /nfs/dbraw/zinc/56/12/18/793561218.db2.gz FYICUYYXNVEXMH-UHFFFAOYSA-N 1 3 321.440 2.490 20 0 DEADHO CC(C)[N@@H+](CCCN)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001172993029 793561223 /nfs/dbraw/zinc/56/12/23/793561223.db2.gz FYICUYYXNVEXMH-UHFFFAOYSA-N 1 3 321.440 2.490 20 0 DEADHO CCSC[C@@H](C)N[C@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001173293651 793661951 /nfs/dbraw/zinc/66/19/51/793661951.db2.gz GHHVWBBWRIJPRI-NEPJUHHUSA-N 1 3 305.488 2.307 20 0 DEADHO COC(=O)c1ccc(C[C@@H](C)[NH2+]CCCN2CCCC2)cc1 ZINC001173706391 793817838 /nfs/dbraw/zinc/81/78/38/793817838.db2.gz QDKMROXKFCLBTG-OAHLLOKOSA-N 1 3 304.434 2.480 20 0 DEADHO COC(=O)c1ccc(C[C@H](C)[NH2+]CC[C@H]2CCCN2C)cc1 ZINC001173711428 793818566 /nfs/dbraw/zinc/81/85/66/793818566.db2.gz IKGNCHYELSDFKB-WMLDXEAASA-N 1 3 304.434 2.478 20 0 DEADHO C[C@H](CCCC[NH2+]CCCF)NC(=O)CN1CCC[C@@H]1C ZINC001175257201 794172198 /nfs/dbraw/zinc/17/21/98/794172198.db2.gz WRCNLWARSOABJA-CABCVRRESA-N 1 3 301.450 2.095 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccn1 ZINC001175768716 794284026 /nfs/dbraw/zinc/28/40/26/794284026.db2.gz MVKZHYNGMPAABF-INIZCTEOSA-N 1 3 320.481 2.188 20 0 DEADHO CC[C@H](C[NH2+]CCCC[C@@H](C)NC(=O)CN(CC)CC)OC ZINC001175787768 794289101 /nfs/dbraw/zinc/28/91/01/794289101.db2.gz XBSTUOMIGOSOLG-HZPDHXFCSA-N 1 3 315.502 2.018 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)CCCC[NH2+]C/C=C\Cl ZINC001175787813 794290084 /nfs/dbraw/zinc/29/00/84/794290084.db2.gz XMUUCKRUDLWJER-QQBNSCQMSA-N 1 3 303.878 2.345 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCCC[NH2+]CC1CCC1 ZINC001176350923 794412095 /nfs/dbraw/zinc/41/20/95/794412095.db2.gz NEJLEXSUUAXXFO-ZDUSSCGKSA-N 1 3 306.454 2.325 20 0 DEADHO CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)N(CC)CC)C1 ZINC001111869658 794507127 /nfs/dbraw/zinc/50/71/27/794507127.db2.gz CUHCSGLRQPUQTR-BQFCYCMXSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)N(CC)CC)C1 ZINC001111869658 794507129 /nfs/dbraw/zinc/50/71/29/794507129.db2.gz CUHCSGLRQPUQTR-BQFCYCMXSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[NH2+]Cc1ccc2c(c1)CCC2 ZINC001176975718 794546001 /nfs/dbraw/zinc/54/60/01/794546001.db2.gz VPSXWDFTGLPTRX-UHFFFAOYSA-N 1 3 317.477 2.111 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21 ZINC001114997327 794648699 /nfs/dbraw/zinc/64/86/99/794648699.db2.gz JKWVQXDKFJRGLZ-QLPKVWCKSA-N 1 3 309.498 2.201 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21 ZINC001114997327 794648703 /nfs/dbraw/zinc/64/87/03/794648703.db2.gz JKWVQXDKFJRGLZ-QLPKVWCKSA-N 1 3 309.498 2.201 20 0 DEADHO C[NH+](C)CCC(=O)NCC1(NCc2cncs2)CCCCC1 ZINC001115708108 794888215 /nfs/dbraw/zinc/88/82/15/794888215.db2.gz OJQAVTQQKJYEKW-UHFFFAOYSA-N 1 3 324.494 2.004 20 0 DEADHO CC[C@H](F)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H]1C ZINC001179546330 795135150 /nfs/dbraw/zinc/13/51/50/795135150.db2.gz LHRWBWYECFBRKP-KKUMJFAQSA-N 1 3 313.461 2.045 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCCCCCC[NH2+]CCCF ZINC001179580641 795144940 /nfs/dbraw/zinc/14/49/40/795144940.db2.gz KXXZPEBNTACHFQ-HNNXBMFYSA-N 1 3 301.450 2.097 20 0 DEADHO CCN1CCN(c2ccc(NC(=O)[C@@H]([NH3+])CC(C)C)cc2)CC1 ZINC001118122979 795156704 /nfs/dbraw/zinc/15/67/04/795156704.db2.gz DYNWOVHFZGSPFS-KRWDZBQOSA-N 1 3 318.465 2.140 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]Cc2csc(C)c2)[C@@H]1C ZINC001179763395 795174627 /nfs/dbraw/zinc/17/46/27/795174627.db2.gz KWKXVUVHQHRSOU-HOCLYGCPSA-N 1 3 323.506 2.477 20 0 DEADHO CC(C)=CC[NH2+]CCCCCCNC(=O)Cc1nc[nH]c1C ZINC001180159117 795252915 /nfs/dbraw/zinc/25/29/15/795252915.db2.gz ZJDKXLVWOVLWCP-UHFFFAOYSA-N 1 3 306.454 2.493 20 0 DEADHO CC[C@@H](C[NH2+]CCCCCCNC(=O)CN(C)C(C)C)OC ZINC001180369750 795292594 /nfs/dbraw/zinc/29/25/94/795292594.db2.gz VLDVNNQGJZDOGY-INIZCTEOSA-N 1 3 315.502 2.018 20 0 DEADHO C[C@@H](C(=O)N1CCC([NH3+])(c2ccc(F)cc2)CC1)N1CCCC1 ZINC001180583857 795339143 /nfs/dbraw/zinc/33/91/43/795339143.db2.gz BGQGRZMWMFDKEH-AWEZNQCLSA-N 1 3 319.424 2.086 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C(=O)[C@@H]4CCCCC[C@@H]43)C[C@@H]2C1 ZINC001120255881 795430943 /nfs/dbraw/zinc/43/09/43/795430943.db2.gz OCCADYXCZJFAPW-ILOCAZANSA-N 1 3 319.493 2.397 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@]1(C)C[NH2+]CC1CCC1 ZINC001181736337 795536184 /nfs/dbraw/zinc/53/61/84/795536184.db2.gz NIDHPVAOVKTNFV-DNVCBOLYSA-N 1 3 321.509 2.345 20 0 DEADHO CCCC[NH2+]C[C@]1(C)CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001181736793 795536562 /nfs/dbraw/zinc/53/65/62/795536562.db2.gz WWPYZTLSPFZWQR-CRAIPNDOSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC2CC2)C1)N(C)C ZINC001181884622 795556132 /nfs/dbraw/zinc/55/61/32/795556132.db2.gz HQHJTODFQAOIIG-QGPMSJSTSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001181884208 795556438 /nfs/dbraw/zinc/55/64/38/795556438.db2.gz DGUJFYMRKYARDH-KCYZZUKISA-N 1 3 315.477 2.149 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC2CC2)C1 ZINC001182615344 795722052 /nfs/dbraw/zinc/72/20/52/795722052.db2.gz WMGFVRPFFWXUQR-GPMSIDNRSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)CN(C)C(C)C)C2)C1 ZINC001122243012 795739114 /nfs/dbraw/zinc/73/91/14/795739114.db2.gz VVHGGVLFZYHCRG-XOGYLQAWSA-N 1 3 309.498 2.390 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001184565409 796084299 /nfs/dbraw/zinc/08/42/99/796084299.db2.gz JHUWYTDOIZZUHZ-HZPDHXFCSA-N 1 3 309.498 2.201 20 0 DEADHO CCOC(=O)c1[nH]c(C)c(CN2CCC3(C[NH+](C)C3)CC2)c1C ZINC001138139852 796169871 /nfs/dbraw/zinc/16/98/71/796169871.db2.gz NXYWUAKIIPYNRR-UHFFFAOYSA-N 1 3 319.449 2.336 20 0 DEADHO CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001185215633 796215528 /nfs/dbraw/zinc/21/55/28/796215528.db2.gz NALLFAIUVOKWKG-GJZGRUSLSA-N 1 3 306.454 2.073 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H](C[NH2+]CC=C(C)C)[C@H](C)C1 ZINC001185361312 796238903 /nfs/dbraw/zinc/23/89/03/796238903.db2.gz YEKVWGOVZHHFOQ-SJORKVTESA-N 1 3 309.498 2.369 20 0 DEADHO CN(CC(=O)N1CC[C@@H]([NH2+]CCC(F)(F)F)C1)CC(C)(C)C ZINC001185723164 796309533 /nfs/dbraw/zinc/30/95/33/796309533.db2.gz ILEIFYHFAIAVDY-GFCCVEGCSA-N 1 3 323.403 2.107 20 0 DEADHO O=c1ccc(C[NH+]2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)c[nH]1 ZINC001139468558 796382827 /nfs/dbraw/zinc/38/28/27/796382827.db2.gz IFXZCYTXYIEKBH-QZTJIDSGSA-N 1 3 309.413 2.351 20 0 DEADHO CN1CC2(C1)CC[NH+](Cc1ccccc1N1CCOCC1)CC2 ZINC001139510061 796389458 /nfs/dbraw/zinc/38/94/58/796389458.db2.gz QMZASTXDPHMZHT-UHFFFAOYSA-N 1 3 315.461 2.051 20 0 DEADHO CCN(CC)CC(=O)N1CCC([NH2+]CC2CCCCC2)CC1 ZINC001202991270 796457739 /nfs/dbraw/zinc/45/77/39/796457739.db2.gz LONAZSYIPVNBHO-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCC3)C23CCC3)CCC1 ZINC001203030149 796516891 /nfs/dbraw/zinc/51/68/91/796516891.db2.gz WYRYLYCBUXKUDR-CVEARBPZSA-N 1 3 319.493 2.288 20 0 DEADHO COc1cc(O)cc(OC)c1CN1CCC2(C1)CC[NH+](C)CC2 ZINC001140773282 796571642 /nfs/dbraw/zinc/57/16/42/796571642.db2.gz SJLVYXQUHNBLHZ-UHFFFAOYSA-N 1 3 320.433 2.327 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]([NH2+]C/C=C/Cl)C2)c1 ZINC001188084288 796625202 /nfs/dbraw/zinc/62/52/02/796625202.db2.gz HYAAIXTVSIOPNL-KZJSRBBCSA-N 1 3 321.852 2.305 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001188146212 796632470 /nfs/dbraw/zinc/63/24/70/796632470.db2.gz ZRARSEYDSNINRH-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CC/C=C/CC[NH2+]CCNC(=O)c1ccccc1CN(C)C ZINC001152393093 797182589 /nfs/dbraw/zinc/18/25/89/797182589.db2.gz BGQNVYWHNDBPEX-AATRIKPKSA-N 1 3 303.450 2.424 20 0 DEADHO CC(C)N(C)CC(=O)NCC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC001152426458 797186055 /nfs/dbraw/zinc/18/60/55/797186055.db2.gz ISGUEDYLZUSRQT-MRXNPFEDSA-N 1 3 323.868 2.373 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C)c(F)c1 ZINC001152457499 797191043 /nfs/dbraw/zinc/19/10/43/797191043.db2.gz GIMPMBFOIXTWDO-QGZVFWFLSA-N 1 3 321.440 2.214 20 0 DEADHO CC(C)=CCN(C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001191967127 797299379 /nfs/dbraw/zinc/29/93/79/797299379.db2.gz FEVAFVNKXXMHJK-ULQDDVLXSA-N 1 3 307.482 2.216 20 0 DEADHO CC(C)=CCN(C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001191967127 797299382 /nfs/dbraw/zinc/29/93/82/797299382.db2.gz FEVAFVNKXXMHJK-ULQDDVLXSA-N 1 3 307.482 2.216 20 0 DEADHO CC[N@H+](CC1CCC1)[C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001153312292 797319046 /nfs/dbraw/zinc/31/90/46/797319046.db2.gz DGBBAYVAXUHHGE-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO CC[N@@H+](CC1CCC1)[C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001153312292 797319054 /nfs/dbraw/zinc/31/90/54/797319054.db2.gz DGBBAYVAXUHHGE-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO CN(C/C=C/c1ccccc1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192144701 797333609 /nfs/dbraw/zinc/33/36/09/797333609.db2.gz VNNJLHPFOIHJOT-HKMNZKMDSA-N 1 3 315.461 2.184 20 0 DEADHO CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001192342704 797366405 /nfs/dbraw/zinc/36/64/05/797366405.db2.gz KBQUFKCKDWIOJH-WBVHZDCISA-N 1 3 309.498 2.440 20 0 DEADHO CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001192342704 797366413 /nfs/dbraw/zinc/36/64/13/797366413.db2.gz KBQUFKCKDWIOJH-WBVHZDCISA-N 1 3 309.498 2.440 20 0 DEADHO CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001192354251 797369905 /nfs/dbraw/zinc/36/99/05/797369905.db2.gz KRTYMIWPYOEVOR-SDKBWNRFSA-N 1 3 307.482 2.217 20 0 DEADHO CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001192354251 797369915 /nfs/dbraw/zinc/36/99/15/797369915.db2.gz KRTYMIWPYOEVOR-SDKBWNRFSA-N 1 3 307.482 2.217 20 0 DEADHO CC[N@H+](CCF)[C@H](C)CNC(=O)c1sccc1CN(C)C ZINC001153677625 797375025 /nfs/dbraw/zinc/37/50/25/797375025.db2.gz JZFZXGADHVSVQA-GFCCVEGCSA-N 1 3 315.458 2.219 20 0 DEADHO CC[N@@H+](CCF)[C@H](C)CNC(=O)c1sccc1CN(C)C ZINC001153677625 797375034 /nfs/dbraw/zinc/37/50/34/797375034.db2.gz JZFZXGADHVSVQA-GFCCVEGCSA-N 1 3 315.458 2.219 20 0 DEADHO CCCCC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001192387740 797377828 /nfs/dbraw/zinc/37/78/28/797377828.db2.gz YMABGHMNOFKNIZ-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001192387740 797377835 /nfs/dbraw/zinc/37/78/35/797377835.db2.gz YMABGHMNOFKNIZ-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@@H](C)C[N@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193027250 797492028 /nfs/dbraw/zinc/49/20/28/797492028.db2.gz OHRVAKOUCYUSOB-WBVHZDCISA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193027250 797492032 /nfs/dbraw/zinc/49/20/32/797492032.db2.gz OHRVAKOUCYUSOB-WBVHZDCISA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)=CCN(C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194226865 797696324 /nfs/dbraw/zinc/69/63/24/797696324.db2.gz HEIYLVWWCNOKBL-QGZVFWFLSA-N 1 3 307.482 2.361 20 0 DEADHO NCc1cc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ncn1 ZINC001156319066 797972802 /nfs/dbraw/zinc/97/28/02/797972802.db2.gz UXHUSYZYTXPJTC-CGTJXYLNSA-N 1 3 323.444 2.258 20 0 DEADHO NCc1cc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ncn1 ZINC001156319066 797972806 /nfs/dbraw/zinc/97/28/06/797972806.db2.gz UXHUSYZYTXPJTC-CGTJXYLNSA-N 1 3 323.444 2.258 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)N1CCC[N@H+](CCC(C)C)CC1 ZINC001196018144 797994187 /nfs/dbraw/zinc/99/41/87/797994187.db2.gz KVNAGNRJOKBDKJ-MRXNPFEDSA-N 1 3 315.477 2.247 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)N1CCC[N@@H+](CCC(C)C)CC1 ZINC001196018144 797994188 /nfs/dbraw/zinc/99/41/88/797994188.db2.gz KVNAGNRJOKBDKJ-MRXNPFEDSA-N 1 3 315.477 2.247 20 0 DEADHO Cc1nc(N(C)C)cc(N2CCC3(CC2)CC[NH+](C)CC3)n1 ZINC001156563900 798030258 /nfs/dbraw/zinc/03/02/58/798030258.db2.gz MNKSSIXAGCCJIW-UHFFFAOYSA-N 1 3 303.454 2.163 20 0 DEADHO CC[N@H+](Cc1ccccc1)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157113731 798145912 /nfs/dbraw/zinc/14/59/12/798145912.db2.gz MCFPTHWMTRCOFP-MRXNPFEDSA-N 1 3 305.466 2.353 20 0 DEADHO CC[N@@H+](Cc1ccccc1)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157113731 798145916 /nfs/dbraw/zinc/14/59/16/798145916.db2.gz MCFPTHWMTRCOFP-MRXNPFEDSA-N 1 3 305.466 2.353 20 0 DEADHO C[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H](c3ccccc3)N2)C[C@@H]1[NH3+] ZINC001157810745 798284438 /nfs/dbraw/zinc/28/44/38/798284438.db2.gz SZCPINNKQUWLBP-BSWAZPDLSA-N 1 3 301.434 2.066 20 0 DEADHO CC(C)c1nccc(N2CCN(CC3CC[NH+](C)CC3)CC2)n1 ZINC001157837723 798290426 /nfs/dbraw/zinc/29/04/26/798290426.db2.gz GPYXWIJGGZYZAV-UHFFFAOYSA-N 1 3 317.481 2.064 20 0 DEADHO CC(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001158474403 798412543 /nfs/dbraw/zinc/41/25/43/798412543.db2.gz YQKNWAQHDQFPEI-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001158474403 798412549 /nfs/dbraw/zinc/41/25/49/798412549.db2.gz YQKNWAQHDQFPEI-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO Cc1cnc(N(C2CC[NH2+]CC2)C2CCN(C)CC2)c(F)c1 ZINC001158575761 798432895 /nfs/dbraw/zinc/43/28/95/798432895.db2.gz VAMYRJFKWBNVJC-UHFFFAOYSA-N 1 3 306.429 2.182 20 0 DEADHO CSc1ccc(C(F)(F)N[C@H](N)CCC[NH3+])nc1Cl ZINC001159783197 798607359 /nfs/dbraw/zinc/60/73/59/798607359.db2.gz CFMLPOPBSACDSF-VIFPVBQESA-N 1 3 310.801 2.120 20 0 DEADHO CC(C)CCC[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001201052639 798711475 /nfs/dbraw/zinc/71/14/75/798711475.db2.gz GZIDHAKYIHXNDF-QGZVFWFLSA-N 1 3 309.498 2.343 20 0 DEADHO [NH3+][C@@H]1CN(C(=O)[C@H]2CCC[C@H](c3ccccc3)N2)CC(F)(F)C1 ZINC001160974030 798772745 /nfs/dbraw/zinc/77/27/45/798772745.db2.gz XDVGZLNPCCRCQZ-RRFJBIMHSA-N 1 3 323.387 2.065 20 0 DEADHO CN(C)CCN(C(=O)C(C)(C)CC1CCC1)[C@H]1CCC[NH2+]C1 ZINC001161449174 798860141 /nfs/dbraw/zinc/86/01/41/798860141.db2.gz KUDXZEWLTYTDKN-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO [NH3+]C1CCN(c2cccc(NCc3ncn4ccccc34)n2)CC1 ZINC001161685576 798911895 /nfs/dbraw/zinc/91/18/95/798911895.db2.gz JNVCJKGZQLSJHM-UHFFFAOYSA-N 1 3 322.416 2.269 20 0 DEADHO CN1CCN(CCCNc2ccc([C@H]3CC[N@H+](C)C3)cc2)CC1 ZINC001161710229 798920464 /nfs/dbraw/zinc/92/04/64/798920464.db2.gz ARQFRSZVIBKJQU-SFHVURJKSA-N 1 3 316.493 2.155 20 0 DEADHO CN1CCN(CCCNc2ccc([C@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC001161710229 798920473 /nfs/dbraw/zinc/92/04/73/798920473.db2.gz ARQFRSZVIBKJQU-SFHVURJKSA-N 1 3 316.493 2.155 20 0 DEADHO CC/C=C/CC[NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001202495294 798979414 /nfs/dbraw/zinc/97/94/14/798979414.db2.gz CRIUQYQKRAXFEQ-APHBUQMISA-N 1 3 307.482 2.265 20 0 DEADHO CNCc1cc(N(CC[NH3+])c2cccc3ccccc32)ncn1 ZINC001162005189 798991899 /nfs/dbraw/zinc/99/18/99/798991899.db2.gz ZJNWIEWEYRXGAJ-UHFFFAOYSA-N 1 3 307.401 2.446 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)C(C)(C)N(C)CC)[C@@H]2C1 ZINC001114488426 799148010 /nfs/dbraw/zinc/14/80/10/799148010.db2.gz NGQBHVJABUZALL-BUZYYCOCSA-N 1 3 307.482 2.119 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)C(C)(C)N(C)CC)[C@@H]2C1 ZINC001114488426 799148014 /nfs/dbraw/zinc/14/80/14/799148014.db2.gz NGQBHVJABUZALL-BUZYYCOCSA-N 1 3 307.482 2.119 20 0 DEADHO C[C@@H](N)c1nc2ccccc2n1-c1cc[nH+]c(N2CCOCC2)c1 ZINC001162765997 799169201 /nfs/dbraw/zinc/16/92/01/799169201.db2.gz KPIZSGFTJCEBFN-CYBMUJFWSA-N 1 3 323.400 2.277 20 0 DEADHO c1cc2c(s1)[C@H](Nc1cc[nH+]c(N3CCOCC3)c1)CNC2 ZINC001163226576 799283166 /nfs/dbraw/zinc/28/31/66/799283166.db2.gz JKNIPUUQXXSWLK-CQSZACIVSA-N 1 3 316.430 2.236 20 0 DEADHO CN(C)C1(CNc2cc(OCC3CC3)ccn2)CC[NH+](C)CC1 ZINC001164212055 799539310 /nfs/dbraw/zinc/53/93/10/799539310.db2.gz ZEKBXEWPFBKNKW-UHFFFAOYSA-N 1 3 318.465 2.308 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC=C(C)C)CC[N@@H+]1C ZINC001095441038 799598999 /nfs/dbraw/zinc/59/89/99/799598999.db2.gz KVJIHMWTGFBCSH-ICUGJSFKSA-N 1 3 319.493 2.404 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC=C(C)C)CC[N@H+]1C ZINC001095441038 799599006 /nfs/dbraw/zinc/59/90/06/799599006.db2.gz KVJIHMWTGFBCSH-ICUGJSFKSA-N 1 3 319.493 2.404 20 0 DEADHO CN(C)[C@H](C(=O)NCCC1(C[NH2+]CCC2CC2)CC1)C1CC1 ZINC001165484379 799735765 /nfs/dbraw/zinc/73/57/65/799735765.db2.gz CYDCNVPUUGREHZ-INIZCTEOSA-N 1 3 307.482 2.003 20 0 DEADHO CC(C)[C@H](C(=O)NCCC[NH2+]C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001166010078 799812081 /nfs/dbraw/zinc/81/20/81/799812081.db2.gz GKBZOASUBLBFTO-ZIAGYGMSSA-N 1 3 319.440 2.104 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CCCCC(F)(F)F ZINC001166626959 799904132 /nfs/dbraw/zinc/90/41/32/799904132.db2.gz NBFDGNSEQUTUFB-ZDUSSCGKSA-N 1 3 323.403 2.299 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CCCc1ccsc1 ZINC001166626932 799904746 /nfs/dbraw/zinc/90/47/46/799904746.db2.gz MHVRTUODHUHNGY-HNNXBMFYSA-N 1 3 323.506 2.261 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)CN2CCC[C@H]2C)cc1C ZINC001166626909 799905032 /nfs/dbraw/zinc/90/50/32/799905032.db2.gz LXERKOQTPZBJOW-QGZVFWFLSA-N 1 3 317.477 2.384 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]Cc1cccc(Cl)c1 ZINC001166633145 799907241 /nfs/dbraw/zinc/90/72/41/799907241.db2.gz AHQDWNZDXMETEA-CQSZACIVSA-N 1 3 323.868 2.420 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]Cc2ccccc2Cl)C1 ZINC001166668282 799915178 /nfs/dbraw/zinc/91/51/78/799915178.db2.gz XSVQNMOLJGKRQP-AWEZNQCLSA-N 1 3 323.868 2.278 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166668184 799915653 /nfs/dbraw/zinc/91/56/53/799915653.db2.gz UMPHTASFPUBCAE-NVXWUHKLSA-N 1 3 317.477 2.494 20 0 DEADHO CC(C)CC[NH2+]CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001166687553 799921853 /nfs/dbraw/zinc/92/18/53/799921853.db2.gz VYMGSQPSYXFJCD-KRWDZBQOSA-N 1 3 315.477 2.341 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)c1ccc(F)cc1)N(C)C ZINC001166851900 799965669 /nfs/dbraw/zinc/96/56/69/799965669.db2.gz KGZXPJYCVXIKMW-BBRMVZONSA-N 1 3 309.429 2.323 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+]CCCc1ccccc1)N(C)C ZINC001166852137 799965740 /nfs/dbraw/zinc/96/57/40/799965740.db2.gz MMUZGFUQBOKCIE-KRWDZBQOSA-N 1 3 305.466 2.055 20 0 DEADHO CCc1ccccc1C[NH2+]CCCNC(=O)[C@H](CC)N(C)C ZINC001166858113 799966849 /nfs/dbraw/zinc/96/68/49/799966849.db2.gz NFUXUUMQRFEBNO-KRWDZBQOSA-N 1 3 305.466 2.185 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+]CC[C@H]1CC1(Cl)Cl)N(C)C ZINC001166866651 799969166 /nfs/dbraw/zinc/96/91/66/799969166.db2.gz PZDPBWWAWQOACW-RYUDHWBXSA-N 1 3 324.296 2.006 20 0 DEADHO CCOc1ccc(CN2CCC[C@@](O)(C[NH3+])CC2)cc1Cl ZINC001205220031 800320407 /nfs/dbraw/zinc/32/04/07/800320407.db2.gz IUCYLXPFXYUVNR-INIZCTEOSA-N 1 3 312.841 2.414 20 0 DEADHO CC[C@@H](C)C[NH2+]CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001205457963 800360264 /nfs/dbraw/zinc/36/02/64/800360264.db2.gz ZLQDHIZUGAKPLZ-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)CC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001205493264 800364982 /nfs/dbraw/zinc/36/49/82/800364982.db2.gz WSGYPAUCGVBXNY-KRWDZBQOSA-N 1 3 311.514 2.447 20 0 DEADHO COC(=O)c1cc(CN2CCC[C@](F)(C[NH3+])CC2)cc(OC)c1 ZINC001205578553 800379796 /nfs/dbraw/zinc/37/97/96/800379796.db2.gz FRAMHQGXMYJORS-QGZVFWFLSA-N 1 3 324.396 2.135 20 0 DEADHO CCOC(=O)c1cccc(CN2CC[C@@H](C)[C@H](C[NH3+])CC2)n1 ZINC001205654201 800394912 /nfs/dbraw/zinc/39/49/12/800394912.db2.gz WRSVCXCPAJGOBY-KGLIPLIRSA-N 1 3 305.422 2.065 20 0 DEADHO C[C@@H]1CC=CC[C@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000934620621 800399842 /nfs/dbraw/zinc/39/98/42/800399842.db2.gz DHOYOQZOPFSFFR-KBAYOESNSA-N 1 3 315.461 2.350 20 0 DEADHO CCOC(=O)[C@H]1CC[C@H](CN2CCC(F)(F)[C@H](C[NH3+])C2)CC1 ZINC001205734191 800410822 /nfs/dbraw/zinc/41/08/22/800410822.db2.gz CEUFIXQRXUDPMU-MGPQQGTHSA-N 1 3 318.408 2.272 20 0 DEADHO N[C@@H]1CC[N@H+](C[C@@H]2CCN(Cc3ccccc3)C2)CC[C@@H]1F ZINC001206157191 800481651 /nfs/dbraw/zinc/48/16/51/800481651.db2.gz XELPLSDDYQSYQG-OKZBNKHCSA-N 1 3 305.441 2.270 20 0 DEADHO N[C@@H]1CC[N@@H+](C[C@@H]2CCN(Cc3ccccc3)C2)CC[C@@H]1F ZINC001206157191 800481654 /nfs/dbraw/zinc/48/16/54/800481654.db2.gz XELPLSDDYQSYQG-OKZBNKHCSA-N 1 3 305.441 2.270 20 0 DEADHO [NH3+][C@@H]1CCN(Cc2cccc(-c3cncnc3)c2)CC[C@H]1F ZINC001206163981 800482257 /nfs/dbraw/zinc/48/22/57/800482257.db2.gz IKPRVVVDLXYLGD-IAGOWNOFSA-N 1 3 300.381 2.405 20 0 DEADHO CC[C@@H](C)C[NH2+]CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001206275199 800499958 /nfs/dbraw/zinc/49/99/58/800499958.db2.gz PTJICMZXWDSYJQ-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](F)CC[NH2+]CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001206275485 800500454 /nfs/dbraw/zinc/50/04/54/800500454.db2.gz UCIQDDVQKYIFNP-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC(C[NH2+]CCC2CCCC2)CC1 ZINC001206410783 800527344 /nfs/dbraw/zinc/52/73/44/800527344.db2.gz NZWCRJKLSVGNIG-UHFFFAOYSA-N 1 3 318.465 2.361 20 0 DEADHO COC(=O)Cc1ccccc1CN1CCCC[C@@](C)(C[NH3+])C1 ZINC001206556467 800554708 /nfs/dbraw/zinc/55/47/08/800554708.db2.gz SIQLCTLRSXKDIG-SFHVURJKSA-N 1 3 304.434 2.353 20 0 DEADHO CCN1C[C@@H]2C[NH+](C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC001207217303 800712051 /nfs/dbraw/zinc/71/20/51/800712051.db2.gz XIJDCCRRYANYJO-ARFHVFGLSA-N 1 3 323.481 2.127 20 0 DEADHO C[NH+]1CCC(CN2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC1 ZINC001207397724 800743231 /nfs/dbraw/zinc/74/32/31/800743231.db2.gz RJKOIKPXOHZPHC-JKSUJKDBSA-N 1 3 319.474 2.270 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000935987204 800820414 /nfs/dbraw/zinc/82/04/14/800820414.db2.gz XYJJRGQBGXEVCJ-DLBZAZTESA-N 1 3 321.440 2.417 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000935987204 800820419 /nfs/dbraw/zinc/82/04/19/800820419.db2.gz XYJJRGQBGXEVCJ-DLBZAZTESA-N 1 3 321.440 2.417 20 0 DEADHO CCOC[C@@H]1CN(CC2(C)CC[NH+](C)CC2)Cc2cnn(C)c21 ZINC001208107056 800913040 /nfs/dbraw/zinc/91/30/40/800913040.db2.gz KDZFQQBBXNFKKW-INIZCTEOSA-N 1 3 320.481 2.088 20 0 DEADHO CCOC[C@H]1CN(CC2(C)CC[NH+](C)CC2)Cc2cn(C)nc21 ZINC001208109313 800914426 /nfs/dbraw/zinc/91/44/26/800914426.db2.gz ITSDAJRGEGZWOQ-MRXNPFEDSA-N 1 3 320.481 2.088 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1)N(C)C ZINC001208414442 800979618 /nfs/dbraw/zinc/97/96/18/800979618.db2.gz PQUHNYCKFSOSNI-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[NH+]1CCC(CN2CC3(C2)CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001208593165 801022451 /nfs/dbraw/zinc/02/24/51/801022451.db2.gz OXDOAYVNLIOUMK-UHFFFAOYSA-N 1 3 323.481 2.271 20 0 DEADHO C[N@@H+]1CCC[C@@H](CN2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC001208607025 801028118 /nfs/dbraw/zinc/02/81/18/801028118.db2.gz KUXIAFFACPVGNK-CABCVRRESA-N 1 3 311.470 2.317 20 0 DEADHO C[N@H+]1CCC[C@@H](CN2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC001208607025 801028124 /nfs/dbraw/zinc/02/81/24/801028124.db2.gz KUXIAFFACPVGNK-CABCVRRESA-N 1 3 311.470 2.317 20 0 DEADHO C[N@@H+]1CCC[C@@H](CN2CCC(NC(=O)C3CCCC3)CC2)C1 ZINC001208607922 801031063 /nfs/dbraw/zinc/03/10/63/801031063.db2.gz OOKGJIUMXOLMEI-OAHLLOKOSA-N 1 3 307.482 2.099 20 0 DEADHO C[N@H+]1CCC[C@@H](CN2CCC(NC(=O)C3CCCC3)CC2)C1 ZINC001208607922 801031066 /nfs/dbraw/zinc/03/10/66/801031066.db2.gz OOKGJIUMXOLMEI-OAHLLOKOSA-N 1 3 307.482 2.099 20 0 DEADHO CN1CC[N@H+](C[C@H]2CCCN(Cc3ccccc3)C2)CCC1=O ZINC001208931918 801096891 /nfs/dbraw/zinc/09/68/91/801096891.db2.gz DNHKXJWWUAYEMN-GOSISDBHSA-N 1 3 315.461 2.063 20 0 DEADHO CN1CC[N@@H+](C[C@H]2CCCN(Cc3ccccc3)C2)CCC1=O ZINC001208931918 801096895 /nfs/dbraw/zinc/09/68/95/801096895.db2.gz DNHKXJWWUAYEMN-GOSISDBHSA-N 1 3 315.461 2.063 20 0 DEADHO CCCN1C[C@H]2C[NH+](CC3CCC4(CC3)OCCO4)C[C@@H]2C1 ZINC001209103870 801129015 /nfs/dbraw/zinc/12/90/15/801129015.db2.gz NLEHUYUAVOZNTN-IRXDYDNUSA-N 1 3 308.466 2.193 20 0 DEADHO CCC[NH+]1C[C@H]2CN(CC3CCC4(CC3)OCCO4)C[C@@H]2C1 ZINC001209103870 801129018 /nfs/dbraw/zinc/12/90/18/801129018.db2.gz NLEHUYUAVOZNTN-IRXDYDNUSA-N 1 3 308.466 2.193 20 0 DEADHO CCCCC[NH2+][C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209661225 801249487 /nfs/dbraw/zinc/24/94/87/801249487.db2.gz VMNYRYVHDTZLRX-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CC[N@H+](Cc1cnccc1N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001209737286 801269915 /nfs/dbraw/zinc/26/99/15/801269915.db2.gz JIDSTUBMXBIVAT-CQSZACIVSA-N 1 3 320.437 2.325 20 0 DEADHO CC[N@@H+](Cc1cnccc1N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001209737286 801269920 /nfs/dbraw/zinc/26/99/20/801269920.db2.gz JIDSTUBMXBIVAT-CQSZACIVSA-N 1 3 320.437 2.325 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\Cl ZINC001229877353 801331826 /nfs/dbraw/zinc/33/18/26/801331826.db2.gz RCRQKSALZYYACA-MVUUYHCISA-N 1 3 301.862 2.098 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001210216852 801352796 /nfs/dbraw/zinc/35/27/96/801352796.db2.gz AJQRSQKQRXSOKX-KRWDZBQOSA-N 1 3 321.440 2.248 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001211282526 801542269 /nfs/dbraw/zinc/54/22/69/801542269.db2.gz BDKYZLOLCRRJDC-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001214855563 801766612 /nfs/dbraw/zinc/76/66/12/801766612.db2.gz GSPSEJWNUROGCB-DJIMGWMZSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001215474412 801865594 /nfs/dbraw/zinc/86/55/94/801865594.db2.gz QVLNPHKOOTVZBB-BRWVUGGUSA-N 1 3 311.514 2.445 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCC(C)(C)C)C2)C1 ZINC001215540263 801873322 /nfs/dbraw/zinc/87/33/22/801873322.db2.gz JXUBDVUSSDGSPG-BZUAXINKSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@@H](F)C[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001215568354 801877988 /nfs/dbraw/zinc/87/79/88/801877988.db2.gz MSIHVRGKWGIAAB-RBSFLKMASA-N 1 3 315.477 2.149 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC001215999032 801925205 /nfs/dbraw/zinc/92/52/05/801925205.db2.gz MLTXCWGQLPXHTO-GVDBMIGSSA-N 1 3 311.514 2.447 20 0 DEADHO CNc1ccccc1CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001232676050 801938101 /nfs/dbraw/zinc/93/81/01/801938101.db2.gz SXUUZHPWAACPTD-UHFFFAOYSA-N 1 3 316.493 2.188 20 0 DEADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2ccccc2F)C1 ZINC001216217224 801953400 /nfs/dbraw/zinc/95/34/00/801953400.db2.gz LPFRMUCFBOYLAW-RHSMWYFYSA-N 1 3 321.440 2.104 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2ccccc2F)C1 ZINC001216217224 801953409 /nfs/dbraw/zinc/95/34/09/801953409.db2.gz LPFRMUCFBOYLAW-RHSMWYFYSA-N 1 3 321.440 2.104 20 0 DEADHO CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C)[C@H](NCCF)C1 ZINC001216349198 801966874 /nfs/dbraw/zinc/96/68/74/801966874.db2.gz URLSNBNJEBLWSW-HZPDHXFCSA-N 1 3 315.477 2.295 20 0 DEADHO CCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1C ZINC001216845145 802032736 /nfs/dbraw/zinc/03/27/36/802032736.db2.gz ZFUAUYJCKQFWLW-ZACQAIPSSA-N 1 3 309.498 2.488 20 0 DEADHO c1ccc2c(c1)CNC[C@H]2OC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001217940387 802120479 /nfs/dbraw/zinc/12/04/79/802120479.db2.gz FGUMWXBPQJGVEW-FUHWJXTLSA-N 1 3 316.445 2.396 20 0 DEADHO CC1(C)C[NH2+]CCc2ccc(O[C@@H]3CC[C@@H]4NCCO[C@@H]34)cc21 ZINC001218130167 802145552 /nfs/dbraw/zinc/14/55/52/802145552.db2.gz QPAQVAUKPZYHSB-RCCFBDPRSA-N 1 3 316.445 2.008 20 0 DEADHO CC(C)[C@@]1(C(=O)Nc2cc([C@H]3CCCN3)no2)CCC[NH2+]C1 ZINC001218711705 802230114 /nfs/dbraw/zinc/23/01/14/802230114.db2.gz MIJUIOLQBDJWDF-MLGOLLRUSA-N 1 3 306.410 2.063 20 0 DEADHO O=C(Nc1ccc(F)c2ccccc12)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219260772 802303055 /nfs/dbraw/zinc/30/30/55/802303055.db2.gz VKEUEHKPXWTANA-KZULUSFZSA-N 1 3 313.376 2.117 20 0 DEADHO CC[NH+](CC)CCNC(=O)[C@H](N)Cc1ccc(C(C)(C)C)cc1 ZINC001219555854 802344865 /nfs/dbraw/zinc/34/48/65/802344865.db2.gz VCQAXHQKIWVAES-QGZVFWFLSA-N 1 3 319.493 2.312 20 0 DEADHO CCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001234344718 802358008 /nfs/dbraw/zinc/35/80/08/802358008.db2.gz BHTCZJDOYWSJER-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001234402903 802369681 /nfs/dbraw/zinc/36/96/81/802369681.db2.gz NUTIZHBMFIHLMD-BRWVUGGUSA-N 1 3 309.498 2.440 20 0 DEADHO CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001234402903 802369689 /nfs/dbraw/zinc/36/96/89/802369689.db2.gz NUTIZHBMFIHLMD-BRWVUGGUSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)(C)c1ccc(C[C@@H](N)C(=O)NCC2([NH3+])CCCC2)cc1 ZINC001220497439 802468193 /nfs/dbraw/zinc/46/81/93/802468193.db2.gz XJXUELYZNDZVCG-MRXNPFEDSA-N 1 3 317.477 2.242 20 0 DEADHO CC(C)(C)[C@@H](N)C(=O)N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221034718 802522619 /nfs/dbraw/zinc/52/26/19/802522619.db2.gz RXJMGWGGPZBWJE-CVEARBPZSA-N 1 3 321.440 2.356 20 0 DEADHO CC(C)P(CCNC(=O)[C@@H]([NH3+])C1CCC(O)CC1)C(C)C ZINC001221254197 802543661 /nfs/dbraw/zinc/54/36/61/802543661.db2.gz JCHDXHFWYDXPDY-NRXISQOPSA-N 1 3 316.426 2.280 20 0 DEADHO CC[C@H](C)C[NH+]1CCC(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001224402846 802864621 /nfs/dbraw/zinc/86/46/21/802864621.db2.gz QVUKGIYYHROMOJ-DOTOQJQBSA-N 1 3 311.514 2.447 20 0 DEADHO CCC[N@H+](C)CCC(=O)NCC1CCN(C[C@H](F)CC)CC1 ZINC001225244680 802946628 /nfs/dbraw/zinc/94/66/28/802946628.db2.gz LHYVYDYCXDQDEC-MRXNPFEDSA-N 1 3 315.477 2.295 20 0 DEADHO CCC[N@@H+](C)CCC(=O)NCC1CCN(C[C@H](F)CC)CC1 ZINC001225244680 802946631 /nfs/dbraw/zinc/94/66/31/802946631.db2.gz LHYVYDYCXDQDEC-MRXNPFEDSA-N 1 3 315.477 2.295 20 0 DEADHO CC/C=C\CC[NH+]1CCC(CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001225278498 802950327 /nfs/dbraw/zinc/95/03/27/802950327.db2.gz RTMJILHDGKBGGR-PLNGDYQASA-N 1 3 318.465 2.445 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/Cl)N(C)C ZINC001227038590 803191718 /nfs/dbraw/zinc/19/17/18/803191718.db2.gz HQTYRVLNPUSXFF-ZGXDYRSCSA-N 1 3 301.862 2.096 20 0 DEADHO CCN(C)C(C)(C)C(=O)NC1CC[NH+](CC2CC(C)C2)CC1 ZINC001228064912 803314381 /nfs/dbraw/zinc/31/43/81/803314381.db2.gz KFFJTLBRBHVPDC-UHFFFAOYSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC001334126007 1150203490 /nfs/dbraw/zinc/20/34/90/1150203490.db2.gz NKOSLHPOFCYBJN-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC001334126007 1150203505 /nfs/dbraw/zinc/20/35/05/1150203505.db2.gz NKOSLHPOFCYBJN-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCc1cccs1 ZINC001418229425 1167506146 /nfs/dbraw/zinc/50/61/46/1167506146.db2.gz KUFPMSHKQRSCQJ-GOEBONIOSA-N 1 3 323.506 2.259 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1)N(C)C ZINC001370016768 1149348894 /nfs/dbraw/zinc/34/88/94/1149348894.db2.gz MRQJUZOGKRLDJC-IAGOWNOFSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1)N(C)C ZINC001370016768 1149348902 /nfs/dbraw/zinc/34/89/02/1149348902.db2.gz MRQJUZOGKRLDJC-IAGOWNOFSA-N 1 3 321.509 2.343 20 0 DEADHO CN(CC(=O)NC[C@@H]1CC[N@H+](CC2CCC2)C1)CC(C)(C)C ZINC001418675127 1167878212 /nfs/dbraw/zinc/87/82/12/1167878212.db2.gz SNKVUTPUSQUTME-INIZCTEOSA-N 1 3 309.498 2.203 20 0 DEADHO CN(CC(=O)NC[C@@H]1CC[N@@H+](CC2CCC2)C1)CC(C)(C)C ZINC001418675127 1167878216 /nfs/dbraw/zinc/87/82/16/1167878216.db2.gz SNKVUTPUSQUTME-INIZCTEOSA-N 1 3 309.498 2.203 20 0 DEADHO CCCN(C)CC(=O)N1CCCCC[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001418778175 1167956010 /nfs/dbraw/zinc/95/60/10/1167956010.db2.gz XMMJJRGOJXLZQZ-HOTGVXAUSA-N 1 3 315.477 2.437 20 0 DEADHO CN(CC(=O)NC[C@H]([NH2+]C/C=C/Cl)C1CC1)CC(C)(C)C ZINC001419301731 1168385903 /nfs/dbraw/zinc/38/59/03/1168385903.db2.gz XMZZDNGCLNLLMM-GPAKFWEMSA-N 1 3 315.889 2.201 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CCCC[N@H+]1CC1CCC1)N(C)C ZINC001419605245 1168661425 /nfs/dbraw/zinc/66/14/25/1168661425.db2.gz AYWIYOHFGZWNPM-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)N1CCC(CC[N@@H+](C)CC2CC2)CC1)N(C)C ZINC001419835702 1168867083 /nfs/dbraw/zinc/86/70/83/1168867083.db2.gz BCSJNZLUSWWXHQ-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO CN(CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CC1)C2)CC(C)(C)C ZINC001368329083 1148415150 /nfs/dbraw/zinc/41/51/50/1148415150.db2.gz XUIBWRGARBRJCY-ULQDDVLXSA-N 1 3 321.509 2.343 20 0 DEADHO CN(CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CC1)C2)CC(C)(C)C ZINC001368329083 1148415152 /nfs/dbraw/zinc/41/51/52/1148415152.db2.gz XUIBWRGARBRJCY-ULQDDVLXSA-N 1 3 321.509 2.343 20 0 DEADHO CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001368348250 1148420779 /nfs/dbraw/zinc/42/07/79/1148420779.db2.gz AFKDZJDXBXQLPX-DSPLQEQRSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)C[C@H]2CC[N@@H+]2CC2CC(C)(C)C2)C1 ZINC001368397545 1148432637 /nfs/dbraw/zinc/43/26/37/1148432637.db2.gz FZLFZMJXIHUFAE-NVXWUHKLSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)C[C@H]2CC[N@H+]2CC2CC(C)(C)C2)C1 ZINC001368397545 1148432639 /nfs/dbraw/zinc/43/26/39/1148432639.db2.gz FZLFZMJXIHUFAE-NVXWUHKLSA-N 1 3 321.509 2.297 20 0 DEADHO CC(=O)NCCCN1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC001575011836 1069330727 /nfs/dbraw/zinc/33/07/27/1069330727.db2.gz HLURCAYHFKRMAR-OALUTQOASA-N 1 3 317.477 2.185 20 0 DEADHO CC(=O)NCCC[N@@H+]1CCCC[C@H]1[C@H](CN)Cc1ccccc1 ZINC001575011836 1069330689 /nfs/dbraw/zinc/33/06/89/1069330689.db2.gz HLURCAYHFKRMAR-OALUTQOASA-N 1 3 317.477 2.185 20 0 DEADHO CC(=O)NCCC[N@H+]1CCCC[C@H]1[C@H](CN)Cc1ccccc1 ZINC001575011836 1069330708 /nfs/dbraw/zinc/33/07/08/1069330708.db2.gz HLURCAYHFKRMAR-OALUTQOASA-N 1 3 317.477 2.185 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC(C[N@@H+](C)CC[C@H](C)F)CC1 ZINC001404616173 1163753899 /nfs/dbraw/zinc/75/38/99/1163753899.db2.gz APTJUUKLYZSGPH-HNNXBMFYSA-N 1 3 315.477 2.245 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC(C[N@H+](C)CC[C@H](C)F)CC1 ZINC001404616173 1163753902 /nfs/dbraw/zinc/75/39/02/1163753902.db2.gz APTJUUKLYZSGPH-HNNXBMFYSA-N 1 3 315.477 2.245 20 0 DEADHO CN(C)C1(C(=O)NCC2([NH2+]CCC(F)(F)F)CCC2)CCC1 ZINC001368473496 1148459723 /nfs/dbraw/zinc/45/97/23/1148459723.db2.gz DAIFOEHKSGJRIX-UHFFFAOYSA-N 1 3 321.387 2.052 20 0 DEADHO C[C@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001368493683 1148466580 /nfs/dbraw/zinc/46/65/80/1148466580.db2.gz AIGZKPZPLLXAND-SOUVJXGZSA-N 1 3 313.461 2.093 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3)C2)C1 ZINC001368500753 1148469535 /nfs/dbraw/zinc/46/95/35/1148469535.db2.gz NZNSGGQVKYOPQJ-RYQLBKOJSA-N 1 3 315.461 2.013 20 0 DEADHO CCCC[C@H](CC)COC[C@@H](O)CNC1(C[NH3+])CCCC1 ZINC001245995904 1140843452 /nfs/dbraw/zinc/84/34/52/1140843452.db2.gz SVNPXUWLEMNWPB-HOTGVXAUSA-N 1 3 300.487 2.441 20 0 DEADHO CCC[NH2+]CC1CC(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001328960925 1148852672 /nfs/dbraw/zinc/85/26/72/1148852672.db2.gz JXDMPWYCTCTZHA-UHFFFAOYSA-N 1 3 303.450 2.256 20 0 DEADHO CCOC(OCC)[C@@H](C)[NH2+]Cc1ccnn1-c1ccncc1 ZINC001461845721 1058727336 /nfs/dbraw/zinc/72/73/36/1058727336.db2.gz SOQAYBYKNVSGPK-CYBMUJFWSA-N 1 3 304.394 2.145 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CCC2CC2)C3)CCC1 ZINC001501006080 1059196358 /nfs/dbraw/zinc/19/63/58/1059196358.db2.gz NSWHWVPKZDCXOZ-ULQDDVLXSA-N 1 3 319.493 2.240 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCC2CC2)C3)CCC1 ZINC001501006080 1059196371 /nfs/dbraw/zinc/19/63/71/1059196371.db2.gz NSWHWVPKZDCXOZ-ULQDDVLXSA-N 1 3 319.493 2.240 20 0 DEADHO CCC[NH2+]CCN(Cc1ccccc1)C(=O)CN1CC[C@@H](C)C1 ZINC001501198008 1059367323 /nfs/dbraw/zinc/36/73/23/1059367323.db2.gz VSGBNFSJAHXQKT-QGZVFWFLSA-N 1 3 317.477 2.357 20 0 DEADHO C[C@@H](C(=O)NCC1([NH2+]CCCF)CCC1)N1CCCCCC1 ZINC001502005960 1059860277 /nfs/dbraw/zinc/86/02/77/1059860277.db2.gz YAPAONPHXBIGEK-HNNXBMFYSA-N 1 3 313.461 2.239 20 0 DEADHO C[C@@H]1[C@H](C(=O)N(C)CCCN(C)Cc2ccsc2)CC[N@@H+]1C ZINC001502245979 1060047412 /nfs/dbraw/zinc/04/74/12/1060047412.db2.gz LPPUKRLPOOCEST-GDBMZVCRSA-N 1 3 323.506 2.369 20 0 DEADHO C[C@@H]1[C@H](C(=O)N(C)CCCN(C)Cc2ccsc2)CC[N@H+]1C ZINC001502245979 1060047429 /nfs/dbraw/zinc/04/74/29/1060047429.db2.gz LPPUKRLPOOCEST-GDBMZVCRSA-N 1 3 323.506 2.369 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)NCc1cc(C)ccc1F ZINC001505724955 1060902938 /nfs/dbraw/zinc/90/29/38/1060902938.db2.gz NLRUNULTQARMCP-CABCVRRESA-N 1 3 323.456 2.459 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)NCc1cc(C)ccc1F ZINC001505724955 1060902947 /nfs/dbraw/zinc/90/29/47/1060902947.db2.gz NLRUNULTQARMCP-CABCVRRESA-N 1 3 323.456 2.459 20 0 DEADHO Cc1ccc(F)c(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001505760045 1060935241 /nfs/dbraw/zinc/93/52/41/1060935241.db2.gz FSSQWUGUMYERFL-LSDHHAIUSA-N 1 3 323.456 2.457 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H]1C[C@H]([NH2+]CCC2CC2)C1 ZINC001479417480 1061450135 /nfs/dbraw/zinc/45/01/35/1061450135.db2.gz VWBFTJXDDRIZBA-MUIFIZLQSA-N 1 3 307.482 2.144 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001479674775 1061586145 /nfs/dbraw/zinc/58/61/45/1061586145.db2.gz QKRHWBVVYCICRU-SJORKVTESA-N 1 3 307.482 2.073 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001479674775 1061586162 /nfs/dbraw/zinc/58/61/62/1061586162.db2.gz QKRHWBVVYCICRU-SJORKVTESA-N 1 3 307.482 2.073 20 0 DEADHO Cc1ccccc1C[N@@H+](C)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001506065216 1061635173 /nfs/dbraw/zinc/63/51/73/1061635173.db2.gz LPBBVQQVTSUQFP-MRXNPFEDSA-N 1 3 305.466 2.272 20 0 DEADHO Cc1ccccc1C[N@H+](C)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001506065216 1061635183 /nfs/dbraw/zinc/63/51/83/1061635183.db2.gz LPBBVQQVTSUQFP-MRXNPFEDSA-N 1 3 305.466 2.272 20 0 DEADHO C[C@@H](F)CC[NH+]1CCC(N(C)C(=O)C2(N(C)C)CCC2)CC1 ZINC001479888987 1061990415 /nfs/dbraw/zinc/99/04/15/1061990415.db2.gz PYTWQMZBSTXIMI-CQSZACIVSA-N 1 3 313.461 2.142 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001480168651 1062418636 /nfs/dbraw/zinc/41/86/36/1062418636.db2.gz SQNQOACTDDYHCY-JQFCIGGWSA-N 1 3 321.440 2.465 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)[C@@H](C[NH2+]CC2CCCC2)C2CC2)C1 ZINC001507026384 1062691630 /nfs/dbraw/zinc/69/16/30/1062691630.db2.gz CCAIJKAQLLCELH-QAPCUYQASA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001507087178 1062809454 /nfs/dbraw/zinc/80/94/54/1062809454.db2.gz DRDWASJYONOMAJ-OAHLLOKOSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCc2cccs2)[C@H]1C ZINC001507295590 1063049070 /nfs/dbraw/zinc/04/90/70/1063049070.db2.gz CVHIXXRSJZJELA-GDBMZVCRSA-N 1 3 323.506 2.210 20 0 DEADHO CC(C)=CC[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC001507325425 1063098363 /nfs/dbraw/zinc/09/83/63/1063098363.db2.gz QIEOYFORMBXYEU-IRXDYDNUSA-N 1 3 307.482 2.264 20 0 DEADHO CCCC[NH+]1CCC(C2(NC(=O)CN(C)CCC)CC2)CC1 ZINC001508161611 1063587359 /nfs/dbraw/zinc/58/73/59/1063587359.db2.gz DNALPCXONNTPMP-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@H+](CC3CCCC3)C2)CCC1 ZINC001493210288 1063641625 /nfs/dbraw/zinc/64/16/25/1063641625.db2.gz IRJNQQBAJICADM-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCC1 ZINC001493210288 1063641632 /nfs/dbraw/zinc/64/16/32/1063641632.db2.gz IRJNQQBAJICADM-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001493852138 1063993073 /nfs/dbraw/zinc/99/30/73/1063993073.db2.gz XTESCUYSBSZYPC-GDBMZVCRSA-N 1 3 315.477 2.291 20 0 DEADHO CC[C@@H](C)C[N@H+](C)C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001494136483 1064135280 /nfs/dbraw/zinc/13/52/80/1064135280.db2.gz DRQBZZPMIZGLOE-CVEARBPZSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C)C[N@@H+](C)C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001494136483 1064135286 /nfs/dbraw/zinc/13/52/86/1064135286.db2.gz DRQBZZPMIZGLOE-CVEARBPZSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C)C[N@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001494213169 1064176021 /nfs/dbraw/zinc/17/60/21/1064176021.db2.gz FZMIRLPSIUJVQJ-INIZCTEOSA-N 1 3 309.498 2.299 20 0 DEADHO CC[C@H](C)C[N@@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001494213169 1064176023 /nfs/dbraw/zinc/17/60/23/1064176023.db2.gz FZMIRLPSIUJVQJ-INIZCTEOSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001568113622 1064654174 /nfs/dbraw/zinc/65/41/74/1064654174.db2.gz QNOWYEVOOKFACX-SHTZXODSSA-N 1 3 304.438 2.244 20 0 DEADHO CC(C)[C@@H](CNC(=O)[C@]12C[C@H]1CCCN2)[NH+]1CCC(C)CC1 ZINC001650336167 1079538509 /nfs/dbraw/zinc/53/85/09/1079538509.db2.gz XCCSTBQDBYMTAI-NUJGCVRESA-N 1 3 307.482 2.001 20 0 DEADHO CC(C)=CC[NH2+]C[C@@](C)(NC(=O)Cc1nc[nH]c1C)C1CC1 ZINC001495297661 1064814542 /nfs/dbraw/zinc/81/45/42/1064814542.db2.gz LQSJNHHETFEFAV-QGZVFWFLSA-N 1 3 304.438 2.101 20 0 DEADHO CC[C@@H](C)C[NH2+]CC[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001568393919 1064834789 /nfs/dbraw/zinc/83/47/89/1064834789.db2.gz VYHOLLXKHHPDKB-GDBMZVCRSA-N 1 3 306.454 2.359 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CC[NH2+]Cc1cccc(C)c1 ZINC001568703701 1065062417 /nfs/dbraw/zinc/06/24/17/1065062417.db2.gz SPGGDTFHUIGLTM-AWEZNQCLSA-N 1 3 314.433 2.254 20 0 DEADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)C[NH2+]CC1CC1 ZINC001495813402 1065125014 /nfs/dbraw/zinc/12/50/14/1065125014.db2.gz USKYIORYVZBBQR-AWEZNQCLSA-N 1 3 303.450 2.114 20 0 DEADHO CC[C@H](C(=O)NC/C=C/C[NH2+]Cc1ccc(C)cc1C)N(C)C ZINC001568871125 1065167508 /nfs/dbraw/zinc/16/75/08/1065167508.db2.gz KBVITBXNYXZIPS-LKGOPFMKSA-N 1 3 317.477 2.406 20 0 DEADHO C[NH+](C)CCC(=O)NC/C=C/CN[C@H]1CCc2ccc(F)cc21 ZINC001568911742 1065187107 /nfs/dbraw/zinc/18/71/07/1065187107.db2.gz HVTOUWXVMOIEDX-IDOMTICXSA-N 1 3 319.424 2.027 20 0 DEADHO CCCN(C)CC(=O)N1CCC2(C[NH+](C[C@H](C)CC)C2)CC1 ZINC001495984776 1065205515 /nfs/dbraw/zinc/20/55/15/1065205515.db2.gz BZIZKMCECHAIFF-MRXNPFEDSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CCC1 ZINC001496178209 1065325188 /nfs/dbraw/zinc/32/51/88/1065325188.db2.gz JHXHIDSIMSXYOA-DOTOQJQBSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CCC1 ZINC001496178211 1065325977 /nfs/dbraw/zinc/32/59/77/1065325977.db2.gz JHXHIDSIMSXYOA-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO Cc1ccc(F)c(C[NH2+]C[C@@H](C)N(C)C(=O)CN2CCCC2)c1 ZINC001496228690 1065350521 /nfs/dbraw/zinc/35/05/21/1065350521.db2.gz BPEDJIXBHZYEJA-OAHLLOKOSA-N 1 3 321.440 2.166 20 0 DEADHO CN(CCC[NH2+]Cc1ccccc1F)C(=O)[C@@H]1CCCCN1C ZINC001569214518 1065371243 /nfs/dbraw/zinc/37/12/43/1065371243.db2.gz IVNSYWMBAMQAEY-KRWDZBQOSA-N 1 3 321.440 2.248 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2CC[NH2+]CC2CCC2)C1 ZINC001496410788 1065453237 /nfs/dbraw/zinc/45/32/37/1065453237.db2.gz DXYZUXCOBQLUND-AEFFLSMTSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]C/C=C/Cl ZINC001496488162 1065505074 /nfs/dbraw/zinc/50/50/74/1065505074.db2.gz ONYJWAZUADONPT-VKGGURKZSA-N 1 3 315.889 2.297 20 0 DEADHO C[C@H](F)CC[NH2+]C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001569559497 1065591991 /nfs/dbraw/zinc/59/19/91/1065591991.db2.gz NEWTWPOSOSJSGC-HOTGVXAUSA-N 1 3 313.461 2.047 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H](CNCCF)C1CCCC1 ZINC001569604057 1065617142 /nfs/dbraw/zinc/61/71/42/1065617142.db2.gz LGMQKITUZZBWRY-HZPDHXFCSA-N 1 3 313.461 2.095 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H](CNCCF)C1CCCC1 ZINC001569604057 1065617146 /nfs/dbraw/zinc/61/71/46/1065617146.db2.gz LGMQKITUZZBWRY-HZPDHXFCSA-N 1 3 313.461 2.095 20 0 DEADHO CC/C=C\CC[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001569685150 1065669936 /nfs/dbraw/zinc/66/99/36/1065669936.db2.gz LXCOJRQAIKBGQB-VGOKWCNXSA-N 1 3 304.438 2.137 20 0 DEADHO CCC1([NH2+]CCF)CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001368597842 1148517784 /nfs/dbraw/zinc/51/77/84/1148517784.db2.gz JPFRXVFJUFJPSU-UHFFFAOYSA-N 1 3 313.461 2.049 20 0 DEADHO CCN(CC[NH2+]CC1CC(C)C1)C(=O)[C@@H]1CCCCN1CC ZINC001497501047 1066116711 /nfs/dbraw/zinc/11/67/11/1066116711.db2.gz MMOAZUVHLOEORZ-JCYILVPMSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)(C)OCCCN1CCN(Cc2cccc(C[NH3+])c2)CC1 ZINC001575249707 1066237740 /nfs/dbraw/zinc/23/77/40/1066237740.db2.gz LJDRTDFDFFPBQF-UHFFFAOYSA-N 1 3 319.493 2.468 20 0 DEADHO CC(C)N(C(=O)[C@H]1C[C@H]([NH3+])C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001575681732 1066399573 /nfs/dbraw/zinc/39/95/73/1066399573.db2.gz RUHONEQWQJKJET-BZSNNMDCSA-N 1 3 315.461 2.235 20 0 DEADHO C[C@@H](CCC[NH3+])NCc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC001575952253 1066464771 /nfs/dbraw/zinc/46/47/71/1066464771.db2.gz PHGBYJAKYVCWKA-NSHDSACASA-N 1 3 309.414 2.041 20 0 DEADHO C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CCN2C2CCCC2)cc1 ZINC001576164339 1066507410 /nfs/dbraw/zinc/50/74/10/1066507410.db2.gz MTVLVHAZJRJIGG-DYVFJYSZSA-N 1 3 301.434 2.453 20 0 DEADHO C[C@@H](C[N@H+](C)CCCF)NC(=O)C(C)(C)N1CCCCC1 ZINC001498284708 1066614466 /nfs/dbraw/zinc/61/44/66/1066614466.db2.gz XWDNYJWBZLBYAG-AWEZNQCLSA-N 1 3 301.450 2.047 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCF)NC(=O)C(C)(C)N1CCCCC1 ZINC001498284708 1066614468 /nfs/dbraw/zinc/61/44/68/1066614468.db2.gz XWDNYJWBZLBYAG-AWEZNQCLSA-N 1 3 301.450 2.047 20 0 DEADHO CC1(C)C[NH2+]CC[C@@H](NC[C@H](c2nnc[nH]2)c2ccccc2)C1 ZINC001576478906 1066619236 /nfs/dbraw/zinc/61/92/36/1066619236.db2.gz TXZNQHUOTJCZLJ-CVEARBPZSA-N 1 3 313.449 2.304 20 0 DEADHO C[C@H]1[C@H](NC(=O)CC[C@@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC001576574874 1066637791 /nfs/dbraw/zinc/63/77/91/1066637791.db2.gz ZGCOMDRPIVICLC-RYQLBKOJSA-N 1 3 315.461 2.298 20 0 DEADHO Cc1cc(C[NH2+]CCCN2CCC[C@H](C(N)=O)C2)c(C)s1 ZINC001620781305 1066678046 /nfs/dbraw/zinc/67/80/46/1066678046.db2.gz ZJLOSZXMPVXTGB-AWEZNQCLSA-N 1 3 309.479 2.042 20 0 DEADHO C[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCC23CCC3)CCN1C1CCCC1 ZINC001576761511 1066681473 /nfs/dbraw/zinc/68/14/73/1066681473.db2.gz BVOVFYGVUWGPNE-RDJZCZTQSA-N 1 3 319.493 2.242 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC001576806794 1066693259 /nfs/dbraw/zinc/69/32/59/1066693259.db2.gz JLOWBLOWLHSDPR-MTNOOBJLSA-N 1 3 301.478 2.437 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[N@H+](C)CC1CC2(CCC2)C1 ZINC001498434192 1066702215 /nfs/dbraw/zinc/70/22/15/1066702215.db2.gz OHPTVBMGLGOBES-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[N@@H+](C)CC1CC2(CCC2)C1 ZINC001498434192 1066702219 /nfs/dbraw/zinc/70/22/19/1066702219.db2.gz OHPTVBMGLGOBES-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[N@H+](C)CCc1ccccc1F ZINC001498455002 1066718338 /nfs/dbraw/zinc/71/83/38/1066718338.db2.gz HFBXPEHXYIUMOC-OAHLLOKOSA-N 1 3 323.456 2.145 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[N@@H+](C)CCc1ccccc1F ZINC001498455002 1066718343 /nfs/dbraw/zinc/71/83/43/1066718343.db2.gz HFBXPEHXYIUMOC-OAHLLOKOSA-N 1 3 323.456 2.145 20 0 DEADHO CC[C@@H](C)N[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])CC1)c1ccco1 ZINC001577002918 1066744252 /nfs/dbraw/zinc/74/42/52/1066744252.db2.gz IUHXTFCYGDXQLV-KBUPBQIOSA-N 1 3 307.438 2.343 20 0 DEADHO Cc1cccc(C)c1C[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C ZINC001498525888 1066761657 /nfs/dbraw/zinc/76/16/57/1066761657.db2.gz HGYOGKKBGGKZEU-GOSISDBHSA-N 1 3 317.477 2.336 20 0 DEADHO Cc1cccc(C)c1C[NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001498525890 1066762846 /nfs/dbraw/zinc/76/28/46/1066762846.db2.gz HGYOGKKBGGKZEU-SFHVURJKSA-N 1 3 317.477 2.336 20 0 DEADHO CCCN(C(=O)NCC[NH2+]C1CCCCCC1)[C@H]1CCN(C)C1 ZINC001577488864 1066856695 /nfs/dbraw/zinc/85/66/95/1066856695.db2.gz KVJSGKNNIPRUIR-KRWDZBQOSA-N 1 3 324.513 2.425 20 0 DEADHO CC[NH+](CC)Cc1ccc(C(=O)N2CCN[C@H](C)[C@@H]2C)cc1 ZINC001577693230 1066907766 /nfs/dbraw/zinc/90/77/66/1066907766.db2.gz PHWTZNBSNRIRAN-CABCVRRESA-N 1 3 303.450 2.351 20 0 DEADHO CCN1CCN(c2cccc(NC[C@H](C[NH3+])C(C)C)c2)CC1 ZINC001577780761 1066926837 /nfs/dbraw/zinc/92/68/37/1066926837.db2.gz FIQNHIHMRZLVHT-INIZCTEOSA-N 1 3 304.482 2.471 20 0 DEADHO CC[NH2+][C@H](C)CN[C@@H]1CC[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C1 ZINC001577887103 1066942622 /nfs/dbraw/zinc/94/26/22/1066942622.db2.gz JHJJKPXXMSNCKO-FDYHWXHSSA-N 1 3 324.387 2.484 20 0 DEADHO CN(CCCN(C)C(=O)[C@@H]1CCCCC[NH2+]1)Cc1ccco1 ZINC001578466440 1067111319 /nfs/dbraw/zinc/11/13/19/1067111319.db2.gz MAVKHQBOYLEXOU-INIZCTEOSA-N 1 3 307.438 2.092 20 0 DEADHO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc2c(c1)CNC2 ZINC001578528422 1067125407 /nfs/dbraw/zinc/12/54/07/1067125407.db2.gz GBXUVIPGISVPQK-INIZCTEOSA-N 1 3 301.434 2.140 20 0 DEADHO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc2c(c1)CNC2 ZINC001578528422 1067125409 /nfs/dbraw/zinc/12/54/09/1067125409.db2.gz GBXUVIPGISVPQK-INIZCTEOSA-N 1 3 301.434 2.140 20 0 DEADHO C[NH2+][C@@H](CC(C)C)C(=O)N(CCc1ccccc1)CCN(C)C ZINC001578751439 1067160421 /nfs/dbraw/zinc/16/04/21/1067160421.db2.gz FQMYHUDLTVCENC-SFHVURJKSA-N 1 3 319.493 2.253 20 0 DEADHO COC(=O)c1cnc(CC[NH2+]C[C@H](N)CCC(C)(C)C)s1 ZINC001578882479 1067189149 /nfs/dbraw/zinc/18/91/49/1067189149.db2.gz JBAHAEQIWYDSAX-LLVKDONJSA-N 1 3 313.467 2.215 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]Cc2ccccc2)CC1 ZINC001499462066 1067228838 /nfs/dbraw/zinc/22/88/38/1067228838.db2.gz XMHOQULWYHWJOB-IYBDPMFKSA-N 1 3 315.461 2.298 20 0 DEADHO COCCOCc1ccc(CN2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC001579074018 1067230042 /nfs/dbraw/zinc/23/00/42/1067230042.db2.gz QZOFWXNHBQIATH-QAPCUYQASA-N 1 3 306.450 2.409 20 0 DEADHO COc1cnc(F)c(CN2CCC3(C[NH2+][C@H]3C(C)C)CC2)c1 ZINC001579322322 1067304612 /nfs/dbraw/zinc/30/46/12/1067304612.db2.gz QUELMAHEGUDMGE-HNNXBMFYSA-N 1 3 307.413 2.439 20 0 DEADHO Cc1c(C(=O)NCCCCC[NH+]2CCCCC2)cc(CN)n1C ZINC001579524984 1067360440 /nfs/dbraw/zinc/36/04/40/1067360440.db2.gz KSVGDEOTNGLOKD-UHFFFAOYSA-N 1 3 320.481 2.178 20 0 DEADHO C[C@@H](CN(C)Cc1cccc(Cl)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483417996 1078521447 /nfs/dbraw/zinc/52/14/47/1078521447.db2.gz RHPCIFUWSHMZDF-DZGCQCFKSA-N 1 3 323.868 2.228 20 0 DEADHO C[C@@H](CN(C)Cc1cccc(Cl)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001483417996 1078521453 /nfs/dbraw/zinc/52/14/53/1078521453.db2.gz RHPCIFUWSHMZDF-DZGCQCFKSA-N 1 3 323.868 2.228 20 0 DEADHO Cc1cnc(C2CCN(C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)s1 ZINC001579823775 1067432864 /nfs/dbraw/zinc/43/28/64/1067432864.db2.gz ZILLKJWMQMYAKS-AWEZNQCLSA-N 1 3 307.463 2.152 20 0 DEADHO FC(F)Oc1ccccc1CCNCc1cc(C2C[NH2+]C2)no1 ZINC001580024348 1067474052 /nfs/dbraw/zinc/47/40/52/1067474052.db2.gz WFIVYZSMBFTETO-UHFFFAOYSA-N 1 3 323.343 2.295 20 0 DEADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3cnc(C4CC4)nc3)C2)C1 ZINC001580200443 1067522613 /nfs/dbraw/zinc/52/26/13/1067522613.db2.gz QZHOJUGISVWEBR-ZACQAIPSSA-N 1 3 316.449 2.072 20 0 DEADHO CN(CCC[NH2+]Cc1ccccc1Cl)C(=O)[C@@H]1CCCN1C ZINC001483456284 1078545397 /nfs/dbraw/zinc/54/53/97/1078545397.db2.gz RQSUKPMGGJTLLT-INIZCTEOSA-N 1 3 323.868 2.372 20 0 DEADHO CC[C@H](F)C[NH2+]CCN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001267117077 1078594790 /nfs/dbraw/zinc/59/47/90/1078594790.db2.gz MIFWHDNNBQMKDM-INIZCTEOSA-N 1 3 309.429 2.158 20 0 DEADHO CCCCC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H]1C ZINC001571463753 1068316167 /nfs/dbraw/zinc/31/61/67/1068316167.db2.gz AOJJVGPZJOQDGO-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)[C@@H](CNC(=O)[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC001573750887 1069094781 /nfs/dbraw/zinc/09/47/81/1069094781.db2.gz LECVQHIEXCEDLV-ZBFHGGJFSA-N 1 3 323.868 2.449 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCC(C)(C)C)C1 ZINC001272384859 1078844431 /nfs/dbraw/zinc/84/44/31/1078844431.db2.gz SPCKHEGVILNODG-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H](CC[NH2+]CC2CCC2)C1)N(C)C ZINC001272466482 1078899740 /nfs/dbraw/zinc/89/97/40/1078899740.db2.gz SIVGUMUXTXXARE-IRXDYDNUSA-N 1 3 309.498 2.201 20 0 DEADHO CCCN(C)CC(=O)N1CCC([NH2+]CCCCCF)CC1 ZINC001203460960 1084177454 /nfs/dbraw/zinc/17/74/54/1084177454.db2.gz YOBBWAMHGZYFLY-UHFFFAOYSA-N 1 3 301.450 2.049 20 0 DEADHO CC(C)CCC[NH2+]CC[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001272641427 1079031388 /nfs/dbraw/zinc/03/13/88/1079031388.db2.gz HJPOLMBQVXWZLR-KRWDZBQOSA-N 1 3 309.498 2.347 20 0 DEADHO CC[N@H+](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)CC(C)C ZINC001481001883 1079046910 /nfs/dbraw/zinc/04/69/10/1079046910.db2.gz ZCBYWLOHUKAJBH-KRWDZBQOSA-N 1 3 315.477 2.293 20 0 DEADHO CC[N@@H+](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)CC(C)C ZINC001481001883 1079046916 /nfs/dbraw/zinc/04/69/16/1079046916.db2.gz ZCBYWLOHUKAJBH-KRWDZBQOSA-N 1 3 315.477 2.293 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CCC2)C1 ZINC001272652169 1079049243 /nfs/dbraw/zinc/04/92/43/1079049243.db2.gz JUKAUALKUHPGSG-QZTJIDSGSA-N 1 3 321.509 2.489 20 0 DEADHO [NH3+][C@H]1CCCCC[C@H]1C(=O)Nc1ccc2c(c1)CNCCO2 ZINC001549901582 1073323982 /nfs/dbraw/zinc/32/39/82/1073323982.db2.gz DCBFIJROLMVHCY-CABCVRRESA-N 1 3 303.406 2.015 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N[C@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC001550075483 1073413229 /nfs/dbraw/zinc/41/32/29/1073413229.db2.gz DRNDNKIIWHRTMX-FHWLQOOXSA-N 1 3 321.424 2.093 20 0 DEADHO CCC[N@H+](CC1CC1)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001483819062 1079131313 /nfs/dbraw/zinc/13/13/13/1079131313.db2.gz ZVUJTEXFZZPDON-UHFFFAOYSA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@@H+](CC1CC1)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001483819062 1079131318 /nfs/dbraw/zinc/13/13/18/1079131318.db2.gz ZVUJTEXFZZPDON-UHFFFAOYSA-N 1 3 309.498 2.440 20 0 DEADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3ccc(F)nc3)C2)[C@H]1C(C)C ZINC001550423286 1073649142 /nfs/dbraw/zinc/64/91/42/1073649142.db2.gz KSFGXZQQMLHWBV-ONIAQPFYSA-N 1 3 321.440 2.180 20 0 DEADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3ccc(F)nc3)C2)[C@H]1C(C)C ZINC001550423286 1073649148 /nfs/dbraw/zinc/64/91/48/1073649148.db2.gz KSFGXZQQMLHWBV-ONIAQPFYSA-N 1 3 321.440 2.180 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CCC1)N1CCCC1 ZINC001481072107 1079149685 /nfs/dbraw/zinc/14/96/85/1079149685.db2.gz VTSZTGPOOWJENT-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CCC1)N1CCCC1 ZINC001481072107 1079149687 /nfs/dbraw/zinc/14/96/87/1079149687.db2.gz VTSZTGPOOWJENT-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[NH+]1CCC(N[C@@H]2CCC[C@H]2Oc2cnn(C)c2)CC1 ZINC001550672220 1073790827 /nfs/dbraw/zinc/79/08/27/1073790827.db2.gz VYALPIBMWFCYGO-IAGOWNOFSA-N 1 3 306.454 2.182 20 0 DEADHO C[C@H]1C[C@@H](NCCc2cc(O)ccc2Br)CC[NH2+]1 ZINC001246502791 1091723010 /nfs/dbraw/zinc/72/30/10/1091723010.db2.gz FYOMSDOVVRDPHE-JQWIXIFHSA-N 1 3 313.239 2.427 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CCc2cc(O)ccc2Br)CCN1 ZINC001246502791 1091723020 /nfs/dbraw/zinc/72/30/20/1091723020.db2.gz FYOMSDOVVRDPHE-JQWIXIFHSA-N 1 3 313.239 2.427 20 0 DEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C[C@@H]([NH3+])C(C)(C)C ZINC001646750051 1074597979 /nfs/dbraw/zinc/59/79/79/1074597979.db2.gz VIZFHJZSUOFHFU-MRXNPFEDSA-N 1 3 323.456 2.479 20 0 DEADHO CC(C)(C[NH3+])C1CCN(C(=O)[C@H]2CNCc3ccccc32)CC1 ZINC001646811646 1074630495 /nfs/dbraw/zinc/63/04/95/1074630495.db2.gz QESONAHZNDIPOJ-KRWDZBQOSA-N 1 3 315.461 2.097 20 0 DEADHO [NH3+]CC[C@@H]1Cc2ccccc2N(C(=O)c2ccc3c(c2)CNC3)C1 ZINC001646812132 1074631363 /nfs/dbraw/zinc/63/13/63/1074631363.db2.gz XCVDLUKLRJWNSB-CQSZACIVSA-N 1 3 321.424 2.458 20 0 DEADHO CCC(=O)N1CC[C@@H]([NH2+]Cc2cc3c(s2)CCNC3)[C@@H](C)C1 ZINC001552769952 1074652479 /nfs/dbraw/zinc/65/24/79/1074652479.db2.gz FWGRRFCJEFZSIY-SWLSCSKDSA-N 1 3 321.490 2.130 20 0 DEADHO CC1CCC(N2CCN(C(=O)[C@@]34CCC[C@H]3[NH2+]CC4)CC2)CC1 ZINC001552833207 1074671928 /nfs/dbraw/zinc/67/19/28/1074671928.db2.gz LLCICLSISUMETJ-HTPOPCQBSA-N 1 3 319.493 2.242 20 0 DEADHO CCCN1CCCC[C@H]1C(=O)NCc1ccc(C[NH3+])cc1F ZINC001647255820 1074859177 /nfs/dbraw/zinc/85/91/77/1074859177.db2.gz HRYPYCPOUNNSMS-INIZCTEOSA-N 1 3 307.413 2.165 20 0 DEADHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]C/C=C\c1ccccc1)N(C)C ZINC001369282003 1148890674 /nfs/dbraw/zinc/89/06/74/1148890674.db2.gz FSDTZAFEVXOYLL-XOFUYBQVSA-N 1 3 317.477 2.477 20 0 DEADHO Cc1n[nH]c(=O)c(CN[C@H](CCC[NH3+])c2ccccc2)c1C ZINC001647437215 1074926903 /nfs/dbraw/zinc/92/69/03/1074926903.db2.gz DVMHTIVOWSLIID-MRXNPFEDSA-N 1 3 300.406 2.369 20 0 DEADHO C[C@H]([NH2+]C[C@H](O)CCC1(O)CCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC001647452727 1074932080 /nfs/dbraw/zinc/93/20/80/1074932080.db2.gz ZNFMDPHLYXYJDH-LZLYRXPVSA-N 1 3 324.509 2.285 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)s1 ZINC001553650255 1074974549 /nfs/dbraw/zinc/97/45/49/1074974549.db2.gz AWECCUKOFUEUDH-BBRMVZONSA-N 1 3 321.490 2.443 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)s1 ZINC001553650255 1074974551 /nfs/dbraw/zinc/97/45/51/1074974551.db2.gz AWECCUKOFUEUDH-BBRMVZONSA-N 1 3 321.490 2.443 20 0 DEADHO CCCCCN1CC[C@@H]1CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001565819421 1075014787 /nfs/dbraw/zinc/01/47/87/1075014787.db2.gz GEUDRYZWTBJXSP-MRXNPFEDSA-N 1 3 307.482 2.338 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001565872370 1075061144 /nfs/dbraw/zinc/06/11/44/1075061144.db2.gz MUGKDYVJRDFIGA-KBAYOESNSA-N 1 3 321.509 2.393 20 0 DEADHO CC[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CCCF)C1)N(C)C ZINC001566074749 1075224838 /nfs/dbraw/zinc/22/48/38/1075224838.db2.gz CCROPFQWNQATNW-GJZGRUSLSA-N 1 3 301.450 2.047 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[N@H+](CC1CCC1)C1CC1 ZINC001566602423 1075294399 /nfs/dbraw/zinc/29/43/99/1075294399.db2.gz ZKGFAZOJVSCYIT-UHFFFAOYSA-N 1 3 304.438 2.031 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[N@@H+](CC1CCC1)C1CC1 ZINC001566602423 1075294401 /nfs/dbraw/zinc/29/44/01/1075294401.db2.gz ZKGFAZOJVSCYIT-UHFFFAOYSA-N 1 3 304.438 2.031 20 0 DEADHO CC/C=C\CC[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001267708907 1079396695 /nfs/dbraw/zinc/39/66/95/1079396695.db2.gz RKKHOIWFXKAMSZ-CHYADLBTSA-N 1 3 307.482 2.219 20 0 DEADHO CC/C=C\CC[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001267708907 1079396701 /nfs/dbraw/zinc/39/67/01/1079396701.db2.gz RKKHOIWFXKAMSZ-CHYADLBTSA-N 1 3 307.482 2.219 20 0 DEADHO CCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC001566978097 1075406428 /nfs/dbraw/zinc/40/64/28/1075406428.db2.gz KZLZXZVKHHOUMS-NDVMQCNYSA-N 1 3 307.482 2.096 20 0 DEADHO CCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC001566978097 1075406431 /nfs/dbraw/zinc/40/64/31/1075406431.db2.gz KZLZXZVKHHOUMS-NDVMQCNYSA-N 1 3 307.482 2.096 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@@H]2CCCCN(C)C2)c1 ZINC001650161545 1079428718 /nfs/dbraw/zinc/42/87/18/1079428718.db2.gz VOCMIJRVWUIGRV-ZWKOTPCHSA-N 1 3 320.477 2.365 20 0 DEADHO C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589804225 1076517215 /nfs/dbraw/zinc/51/72/15/1076517215.db2.gz FEUQTGQWEMOVPN-GHMZBOCLSA-N 1 3 306.389 2.174 20 0 DEADHO C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001589804225 1076517218 /nfs/dbraw/zinc/51/72/18/1076517218.db2.gz FEUQTGQWEMOVPN-GHMZBOCLSA-N 1 3 306.389 2.174 20 0 DEADHO Cc1cc(-c2nnn[n-]2)cc(C)c1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC001591846755 1076792398 /nfs/dbraw/zinc/79/23/98/1076792398.db2.gz OJVFDJRJAIQKNT-ZDUSSCGKSA-N 1 3 314.437 2.043 20 0 DEADHO Cc1cc(-c2nn[n-]n2)cc(C)c1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC001591846755 1076792402 /nfs/dbraw/zinc/79/24/02/1076792402.db2.gz OJVFDJRJAIQKNT-ZDUSSCGKSA-N 1 3 314.437 2.043 20 0 DEADHO CCc1ccc([C@H](CNC(=O)C23CCC(CC2)[NH2+]3)N(C)C)cc1 ZINC001650333786 1079535359 /nfs/dbraw/zinc/53/53/59/1079535359.db2.gz UZXNNMLZMXXKJC-HFCFLWKCSA-N 1 3 315.461 2.253 20 0 DEADHO CC[C@H](C)C[C@H](N)C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC001650354499 1079554675 /nfs/dbraw/zinc/55/46/75/1079554675.db2.gz QZNUXJPXVPGTKQ-JQWIXIFHSA-N 1 3 310.467 2.312 20 0 DEADHO C[C@H]1CN[C@@H](C)[C@H](C)N1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC001650396118 1079585638 /nfs/dbraw/zinc/58/56/38/1079585638.db2.gz LOPWIAMNHAVAJQ-JYJNAYRXSA-N 1 3 315.461 2.493 20 0 DEADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC[C@H]1C[NH3+] ZINC001650399875 1079590104 /nfs/dbraw/zinc/59/01/04/1079590104.db2.gz BCEQMLAFXLUXJV-NJAFHUGGSA-N 1 3 315.461 2.094 20 0 DEADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC[C@H]1C[NH3+] ZINC001650399871 1079590284 /nfs/dbraw/zinc/59/02/84/1079590284.db2.gz BCEQMLAFXLUXJV-BPQIPLTHSA-N 1 3 315.461 2.094 20 0 DEADHO CC[C@H](C(=O)N(C)CC[NH2+]CC[C@@H]1CCCC1(F)F)N(C)C ZINC001481304654 1079695230 /nfs/dbraw/zinc/69/52/30/1079695230.db2.gz YAZZGCINGCIRFO-UONOGXRCSA-N 1 3 319.440 2.200 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCCN(C[C@@H](F)CC)CC1 ZINC001484725737 1079749130 /nfs/dbraw/zinc/74/91/30/1079749130.db2.gz FFSOYRGWTKBSAR-HOTGVXAUSA-N 1 3 315.477 2.437 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCCN(C[C@@H](F)CC)CC1 ZINC001484725737 1079749138 /nfs/dbraw/zinc/74/91/38/1079749138.db2.gz FFSOYRGWTKBSAR-HOTGVXAUSA-N 1 3 315.477 2.437 20 0 DEADHO CCCN(C)CC(=O)N1CCC(CC)([NH2+]CCCF)CC1 ZINC001484818978 1079811996 /nfs/dbraw/zinc/81/19/96/1079811996.db2.gz FSJITRAFMZWUDO-UHFFFAOYSA-N 1 3 301.450 2.049 20 0 DEADHO COCCOc1cccc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)c1 ZINC001651697840 1079827664 /nfs/dbraw/zinc/82/76/64/1079827664.db2.gz KCQCBCUTUBAJDS-CGTJXYLNSA-N 1 3 304.434 2.142 20 0 DEADHO CCCN1CCc2ccccc2[C@@H]1CNC(=O)CC[NH+](C)C ZINC001485005221 1079912704 /nfs/dbraw/zinc/91/27/04/1079912704.db2.gz WTHOOHQUNMOKHD-KRWDZBQOSA-N 1 3 303.450 2.064 20 0 DEADHO CCCC[N@H+](CC)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001485033120 1079930478 /nfs/dbraw/zinc/93/04/78/1079930478.db2.gz WXOVGIQTEAIBTH-UHFFFAOYSA-N 1 3 306.454 2.313 20 0 DEADHO CCCC[N@@H+](CC)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001485033120 1079930481 /nfs/dbraw/zinc/93/04/81/1079930481.db2.gz WXOVGIQTEAIBTH-UHFFFAOYSA-N 1 3 306.454 2.313 20 0 DEADHO CC(C)[C@@H](C(=O)NC1CC(C[NH2+]CCC(F)(F)F)C1)N(C)C ZINC001485107984 1079985898 /nfs/dbraw/zinc/98/58/98/1079985898.db2.gz IHJGCBNDCWGBSV-BPCQOVAHSA-N 1 3 323.403 2.009 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNCCF ZINC001656537931 1080100455 /nfs/dbraw/zinc/10/04/55/1080100455.db2.gz FRCQTSGYZBYCGI-OWCLPIDISA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNCCF ZINC001656537931 1080100460 /nfs/dbraw/zinc/10/04/60/1080100460.db2.gz FRCQTSGYZBYCGI-OWCLPIDISA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001268193589 1080179429 /nfs/dbraw/zinc/17/94/29/1080179429.db2.gz WCRDZUODDGCVKV-GDBMZVCRSA-N 1 3 306.454 2.215 20 0 DEADHO C[NH+]1CCN(c2ccc(CNCc3ccccc3F)cn2)CC1 ZINC000075759699 1080251565 /nfs/dbraw/zinc/25/15/65/1080251565.db2.gz YNGJNWIYGBEHLR-UHFFFAOYSA-N 1 3 314.408 2.262 20 0 DEADHO CN1CCN(c2ccc(C[NH2+]Cc3ccccc3F)cn2)CC1 ZINC000075759699 1080251572 /nfs/dbraw/zinc/25/15/72/1080251572.db2.gz YNGJNWIYGBEHLR-UHFFFAOYSA-N 1 3 314.408 2.262 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CC=C(Cl)Cl)C1)N(C)C ZINC001662686122 1080634461 /nfs/dbraw/zinc/63/44/61/1080634461.db2.gz WVMFRUPQGZWKAQ-NEPJUHHUSA-N 1 3 322.280 2.084 20 0 DEADHO CCN(CC[NH2+]Cc1cccc(C)c1)C(=O)CN1CCCC1 ZINC001268498431 1080646479 /nfs/dbraw/zinc/64/64/79/1080646479.db2.gz PLFVWAVIKPKULC-UHFFFAOYSA-N 1 3 303.450 2.029 20 0 DEADHO CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)CC1=CCCCC1 ZINC001663422356 1080746062 /nfs/dbraw/zinc/74/60/62/1080746062.db2.gz GKBBOEHZGFLVPR-MRXNPFEDSA-N 1 3 307.482 2.267 20 0 DEADHO CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)CC1=CCCCC1 ZINC001663422356 1080746069 /nfs/dbraw/zinc/74/60/69/1080746069.db2.gz GKBBOEHZGFLVPR-MRXNPFEDSA-N 1 3 307.482 2.267 20 0 DEADHO Cc1ccc(C[NH2+]CCN(C)C(=O)CN(C)C2CCC2)c(C)c1 ZINC001663986046 1080845349 /nfs/dbraw/zinc/84/53/49/1080845349.db2.gz WLUNVULABILNQM-UHFFFAOYSA-N 1 3 317.477 2.336 20 0 DEADHO CC1CCC(C[NH2+]CCN(C)C(=O)CN(C)C2CCC2)CC1 ZINC001663985629 1080845658 /nfs/dbraw/zinc/84/56/58/1080845658.db2.gz DRVSMVMQXUBOTQ-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCNCc2ccsc2)C1 ZINC001664135479 1080864806 /nfs/dbraw/zinc/86/48/06/1080864806.db2.gz YNLLNBODMSFBNI-MRXNPFEDSA-N 1 3 323.506 2.418 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)CCNCc2ccsc2)C1 ZINC001664135479 1080864810 /nfs/dbraw/zinc/86/48/10/1080864810.db2.gz YNLLNBODMSFBNI-MRXNPFEDSA-N 1 3 323.506 2.418 20 0 DEADHO Cc1cccc(C[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001268616897 1080894702 /nfs/dbraw/zinc/89/47/02/1080894702.db2.gz PXATVKCCQSURAS-IPLHWJFFSA-N 1 3 317.477 2.343 20 0 DEADHO CC(C)N(C/C=C\Cl)CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001664552659 1080924927 /nfs/dbraw/zinc/92/49/27/1080924927.db2.gz BZNLUSWDIMMPLF-QZDDGCDVSA-N 1 3 315.889 2.297 20 0 DEADHO CC(C)N(C/C=C\Cl)CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001664552659 1080924933 /nfs/dbraw/zinc/92/49/33/1080924933.db2.gz BZNLUSWDIMMPLF-QZDDGCDVSA-N 1 3 315.889 2.297 20 0 DEADHO CC[C@H](C(=O)N1CCC(C[N@H+](C)CC=C(C)C)CC1)N(C)C ZINC001664894453 1080977511 /nfs/dbraw/zinc/97/75/11/1080977511.db2.gz WHGZUJZOPUBRHF-QGZVFWFLSA-N 1 3 309.498 2.463 20 0 DEADHO CC[C@H](C(=O)N1CCC(C[N@@H+](C)CC=C(C)C)CC1)N(C)C ZINC001664894453 1080977513 /nfs/dbraw/zinc/97/75/13/1080977513.db2.gz WHGZUJZOPUBRHF-QGZVFWFLSA-N 1 3 309.498 2.463 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1[NH2+]CCCF ZINC001667198162 1081223457 /nfs/dbraw/zinc/22/34/57/1081223457.db2.gz NNRXFLSEDVXSEN-GJZGRUSLSA-N 1 3 315.477 2.151 20 0 DEADHO CC/C=C\CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001279999818 1081277899 /nfs/dbraw/zinc/27/78/99/1081277899.db2.gz PKHHVRATCCDUSH-UIZHIOIMSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H](CC[NH2+]CCCF)C1)N(C)C ZINC001269766093 1081361523 /nfs/dbraw/zinc/36/15/23/1081361523.db2.gz QOSJFWRNWXPMDA-HZPDHXFCSA-N 1 3 315.477 2.151 20 0 DEADHO CCN(CC[NH2+]Cc1cccc(C)c1)C(=O)CN1CC[C@H](C)C1 ZINC001668555886 1081368024 /nfs/dbraw/zinc/36/80/24/1081368024.db2.gz YKFMWFAUKVXALZ-KRWDZBQOSA-N 1 3 317.477 2.275 20 0 DEADHO CC[C@@H](C)C[NH2+]CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001269943276 1081405831 /nfs/dbraw/zinc/40/58/31/1081405831.db2.gz MGNKMIPIKJGDHY-MRXNPFEDSA-N 1 3 309.498 2.347 20 0 DEADHO CC1CCN(CC(=O)NC/C=C\C[NH2+]CCC(C)(C)C)CC1 ZINC001669109167 1081429172 /nfs/dbraw/zinc/42/91/72/1081429172.db2.gz VMXPRXHAJPDLFU-WAYWQWQTSA-N 1 3 309.498 2.417 20 0 DEADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001270179160 1081467263 /nfs/dbraw/zinc/46/72/63/1081467263.db2.gz GMKWKGABVUFKQP-GASCZTMLSA-N 1 3 316.449 2.065 20 0 DEADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001270179160 1081467265 /nfs/dbraw/zinc/46/72/65/1081467265.db2.gz GMKWKGABVUFKQP-GASCZTMLSA-N 1 3 316.449 2.065 20 0 DEADHO C[C@@H](C[NH2+]CC1CC(C)(C)C1)N(C)C(=O)CN(C)C1CCC1 ZINC001482290604 1081531588 /nfs/dbraw/zinc/53/15/88/1081531588.db2.gz ADAQBMHNDPPNOV-AWEZNQCLSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[N@H+](CCCCCF)C1)N(C)C ZINC001266246547 1081913563 /nfs/dbraw/zinc/91/35/63/1081913563.db2.gz RTCHVWCEEFQQDY-HZPDHXFCSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCCCCF)C1)N(C)C ZINC001266246547 1081913566 /nfs/dbraw/zinc/91/35/66/1081913566.db2.gz RTCHVWCEEFQQDY-HZPDHXFCSA-N 1 3 315.477 2.293 20 0 DEADHO C[C@@H](C(=O)N1CCC2(C[NH+](C3CCCC3)C2)CC1)N1CCCC1 ZINC001271213616 1081991517 /nfs/dbraw/zinc/99/15/17/1081991517.db2.gz CBSRXSKWYQTXFR-INIZCTEOSA-N 1 3 319.493 2.338 20 0 DEADHO C[C@H](C(=O)N1CCCC2(C[NH+](C3CCCC3)C2)C1)N1CCCC1 ZINC001271214551 1081991916 /nfs/dbraw/zinc/99/19/16/1081991916.db2.gz VFDWYMCKDSWXRO-MRXNPFEDSA-N 1 3 319.493 2.338 20 0 DEADHO COC(=O)CCC[NH+]1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC000705894621 1082034817 /nfs/dbraw/zinc/03/48/17/1082034817.db2.gz IBALXRYFCQRBBC-IRXDYDNUSA-N 1 3 302.418 2.003 20 0 DEADHO CC1CC(CN2C[C@H]3CC[C@@H](C2)N3C(=O)CCCC[NH+](C)C)C1 ZINC001266499182 1082076956 /nfs/dbraw/zinc/07/69/56/1082076956.db2.gz SCDAOVFMBFZMRO-OWCVQMPJSA-N 1 3 321.509 2.440 20 0 DEADHO O=C(NCCN(CC1=CCCCC1)C1CC1)C12CC[NH+](CC1)C2 ZINC001493435974 1082115460 /nfs/dbraw/zinc/11/54/60/1082115460.db2.gz OJGVAXPICFCLST-UHFFFAOYSA-N 1 3 317.477 2.163 20 0 DEADHO CC(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CCCN1C(C)C)C1CC1 ZINC001670469367 1082145450 /nfs/dbraw/zinc/14/54/50/1082145450.db2.gz IKRDDZJGPIHMRD-DLBZAZTESA-N 1 3 309.498 2.390 20 0 DEADHO Cc1ccc(CN(C)CCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001482642620 1082431019 /nfs/dbraw/zinc/43/10/19/1082431019.db2.gz NNMVJLCEKOVAMS-GOSISDBHSA-N 1 3 317.477 2.227 20 0 DEADHO Cc1ccc(CN(C)CCN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001482642620 1082431024 /nfs/dbraw/zinc/43/10/24/1082431024.db2.gz NNMVJLCEKOVAMS-GOSISDBHSA-N 1 3 317.477 2.227 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCCF ZINC001482875881 1082540825 /nfs/dbraw/zinc/54/08/25/1082540825.db2.gz CFCJBLMAVAZUQO-GJZGRUSLSA-N 1 3 301.450 2.093 20 0 DEADHO CCN(CC[NH2+]CCC1CCCCC1)C(=O)CN1CCCC1 ZINC001482966509 1082584003 /nfs/dbraw/zinc/58/40/03/1082584003.db2.gz AXSNPSCUSVXVJU-UHFFFAOYSA-N 1 3 309.498 2.491 20 0 DEADHO C[C@@H](C[NH2+][C@@H]1CCc2ccccc21)NC(=O)C1(N(C)C)CCC1 ZINC001483234304 1082901015 /nfs/dbraw/zinc/90/10/15/1082901015.db2.gz OWXSFJOWYUYBMT-WMLDXEAASA-N 1 3 315.461 2.253 20 0 DEADHO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2Cc1ccc2ncccc2c1 ZINC001276401510 1083378966 /nfs/dbraw/zinc/37/89/66/1083378966.db2.gz GZUDBERPVIVZSC-KDURUIRLSA-N 1 3 324.472 2.445 20 0 DEADHO CCC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001107615784 1083521641 /nfs/dbraw/zinc/52/16/41/1083521641.db2.gz LHKYQUOVOSXOMM-NVXWUHKLSA-N 1 3 313.461 2.049 20 0 DEADHO CCC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001107615784 1083521646 /nfs/dbraw/zinc/52/16/46/1083521646.db2.gz LHKYQUOVOSXOMM-NVXWUHKLSA-N 1 3 313.461 2.049 20 0 DEADHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001276635275 1083527053 /nfs/dbraw/zinc/52/70/53/1083527053.db2.gz DLPCMBVCNLJADL-WZYMTQMTSA-N 1 3 323.481 2.458 20 0 DEADHO C[NH+](C)CCN1CC2(CN(CCCc3ccc(Cl)cc3)C2)C1 ZINC001276746533 1083584090 /nfs/dbraw/zinc/58/40/90/1083584090.db2.gz IAKQFBHGTJLZCK-UHFFFAOYSA-N 1 3 321.896 2.452 20 0 DEADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cccc(CC[NH+](C)C)c1 ZINC001413523332 1083653201 /nfs/dbraw/zinc/65/32/01/1083653201.db2.gz ZKLPIAABOAZRIE-ROUUACIJSA-N 1 3 315.461 2.099 20 0 DEADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1nc(C2CC2)cs1 ZINC001276952405 1083696967 /nfs/dbraw/zinc/69/69/67/1083696967.db2.gz ILSGQRYMQFVTJD-HOTGVXAUSA-N 1 3 320.506 2.231 20 0 DEADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1nc(C2CC2)cs1 ZINC001276952405 1083696969 /nfs/dbraw/zinc/69/69/69/1083696969.db2.gz ILSGQRYMQFVTJD-HOTGVXAUSA-N 1 3 320.506 2.231 20 0 DEADHO CN1C[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C(C)(C)C1 ZINC001413639365 1083793392 /nfs/dbraw/zinc/79/33/92/1083793392.db2.gz KHSDKMTZDSMQMS-QGZVFWFLSA-N 1 3 315.461 2.352 20 0 DEADHO [NH3+]CC[C@@H]1CN(c2cccnc2OC2CNC2)c2ccccc21 ZINC001168547456 1083853143 /nfs/dbraw/zinc/85/31/43/1083853143.db2.gz DCXBOZKQNCZYGD-CYBMUJFWSA-N 1 3 310.401 2.016 20 0 DEADHO CC(C)=CC[N@@H+](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001277423312 1083961106 /nfs/dbraw/zinc/96/11/06/1083961106.db2.gz PBPBUFYQGNZSLR-QGZVFWFLSA-N 1 3 309.498 2.462 20 0 DEADHO CC(C)=CC[N@H+](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001277423312 1083961117 /nfs/dbraw/zinc/96/11/17/1083961117.db2.gz PBPBUFYQGNZSLR-QGZVFWFLSA-N 1 3 309.498 2.462 20 0 DEADHO CC(C)OCC[NH+]1CCC2(CCN(Cc3cn[nH]c3)C2)CC1 ZINC001277656866 1084078470 /nfs/dbraw/zinc/07/84/70/1084078470.db2.gz COGOLFGUFSGDSB-UHFFFAOYSA-N 1 3 306.454 2.123 20 0 DEADHO CC(C)CC[C@@H](N)C(=O)N1C[C@@H](CC[NH3+])Cc2ccccc21 ZINC001649102455 1084118016 /nfs/dbraw/zinc/11/80/16/1084118016.db2.gz DZXPUZCZSHEUDQ-GOEBONIOSA-N 1 3 303.450 2.304 20 0 DEADHO [NH3+]C[C@@]1(O)CCCN(Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC001205249344 1084145675 /nfs/dbraw/zinc/14/56/75/1084145675.db2.gz WMJHUGGVNOMOOB-OAHLLOKOSA-N 1 3 318.339 2.103 20 0 DEADHO CCC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C ZINC001491335076 1084240193 /nfs/dbraw/zinc/24/01/93/1084240193.db2.gz CBGLLIQQWJYQPZ-DFRDFGEFSA-N 1 3 321.509 2.365 20 0 DEADHO CCC/C=C/CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C ZINC001491335076 1084240203 /nfs/dbraw/zinc/24/02/03/1084240203.db2.gz CBGLLIQQWJYQPZ-DFRDFGEFSA-N 1 3 321.509 2.365 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@H]1C ZINC001491338088 1084242079 /nfs/dbraw/zinc/24/20/79/1084242079.db2.gz BKOSIRPSNPPGTO-PVEVMLDLSA-N 1 3 319.493 2.262 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@H]1C ZINC001491338088 1084242090 /nfs/dbraw/zinc/24/20/90/1084242090.db2.gz BKOSIRPSNPPGTO-PVEVMLDLSA-N 1 3 319.493 2.262 20 0 DEADHO Cc1nnc(-c2ccc(CN3C[C@@H]4C[N@H+](C)CC[C@@H]4C3)cc2)o1 ZINC001235048711 1084285870 /nfs/dbraw/zinc/28/58/70/1084285870.db2.gz KZEZJUFBHDYRSP-SJORKVTESA-N 1 3 312.417 2.429 20 0 DEADHO Cc1nnc(-c2ccc(CN3C[C@@H]4C[N@@H+](C)CC[C@@H]4C3)cc2)o1 ZINC001235048711 1084285879 /nfs/dbraw/zinc/28/58/79/1084285879.db2.gz KZEZJUFBHDYRSP-SJORKVTESA-N 1 3 312.417 2.429 20 0 DEADHO Cc1cc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)cc(C)c1OCCO ZINC001235374996 1084410497 /nfs/dbraw/zinc/41/04/97/1084410497.db2.gz OESYJWYYAJFGTG-IBGZPJMESA-N 1 3 318.461 2.202 20 0 DEADHO Cc1cc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)cc(C)c1OCCO ZINC001235374996 1084410501 /nfs/dbraw/zinc/41/05/01/1084410501.db2.gz OESYJWYYAJFGTG-IBGZPJMESA-N 1 3 318.461 2.202 20 0 DEADHO CC[C@H](N)C[N@@H+]1C[C@@H]2CC[C@H](C1)C2C(=O)Nc1cccc(F)c1 ZINC001235598667 1084474798 /nfs/dbraw/zinc/47/47/98/1084474798.db2.gz VRCHJJNNEDRVRP-AHICOJMPSA-N 1 3 319.424 2.460 20 0 DEADHO CC[C@H](N)C[N@H+]1C[C@@H]2CC[C@H](C1)C2C(=O)Nc1cccc(F)c1 ZINC001235598667 1084474800 /nfs/dbraw/zinc/47/48/00/1084474800.db2.gz VRCHJJNNEDRVRP-AHICOJMPSA-N 1 3 319.424 2.460 20 0 DEADHO CC1CCC([NH+]2CCN(Cc3ccc4n3CCNC4)CC2)CC1 ZINC001235670787 1084494905 /nfs/dbraw/zinc/49/49/05/1084494905.db2.gz ZNCACZDRGCWKGM-UHFFFAOYSA-N 1 3 316.493 2.288 20 0 DEADHO C[NH2+]CCCN1CCN[C@@H](c2cccc(Br)c2)C1 ZINC001235796086 1084531308 /nfs/dbraw/zinc/53/13/08/1084531308.db2.gz QEVFHVXQBJEVCF-CQSZACIVSA-N 1 3 312.255 2.005 20 0 DEADHO CCOc1ccc(C)cc1CN1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001236073085 1084604435 /nfs/dbraw/zinc/60/44/35/1084604435.db2.gz KQEMLHCXOOYTAJ-KRWDZBQOSA-N 1 3 303.450 2.001 20 0 DEADHO CCCOc1ccc(CN2CCC[C@@H](N3CC([NH3+])C3)C2)cc1 ZINC001236073702 1084604693 /nfs/dbraw/zinc/60/46/93/1084604693.db2.gz POJLIKVTTOUGOO-QGZVFWFLSA-N 1 3 303.450 2.083 20 0 DEADHO CN(CCN1CC[NH2+]CC1)Cc1ccnc2c(Cl)cccc12 ZINC001236082007 1084607822 /nfs/dbraw/zinc/60/78/22/1084607822.db2.gz VEPBZIZRVMLMQL-UHFFFAOYSA-N 1 3 318.852 2.225 20 0 DEADHO CCOc1ccc(CN(C)CCN2CC[NH2+]CC2)cc1Cl ZINC001236082175 1084608290 /nfs/dbraw/zinc/60/82/90/1084608290.db2.gz AGPJQHDPGPADAX-UHFFFAOYSA-N 1 3 311.857 2.076 20 0 DEADHO C[C@@H]1[C@@H]([NH2+]C/C=C\Cl)CCN1C(=O)CN1CCC(C)CC1 ZINC001486092146 1085054542 /nfs/dbraw/zinc/05/45/42/1085054542.db2.gz ZDTKPCMGZFZELN-MLVZXCIBSA-N 1 3 313.873 2.050 20 0 DEADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]CCCC(C)(C)C)C1 ZINC001486482744 1085364643 /nfs/dbraw/zinc/36/46/43/1085364643.db2.gz QMCFNCRJVKCPDQ-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO C[N@H+](CC1CC(C)(C)C1)C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC000960906995 1085502887 /nfs/dbraw/zinc/50/28/87/1085502887.db2.gz DXVDANAATXHCGP-INIZCTEOSA-N 1 3 318.465 2.311 20 0 DEADHO C[N@@H+](CC1CC(C)(C)C1)C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC000960906995 1085502891 /nfs/dbraw/zinc/50/28/91/1085502891.db2.gz DXVDANAATXHCGP-INIZCTEOSA-N 1 3 318.465 2.311 20 0 DEADHO C[C@H]1CCCN1CC(=O)NC1CC2(C1)CC([NH2+]CC1CCC1)C2 ZINC000965062858 1085511279 /nfs/dbraw/zinc/51/12/79/1085511279.db2.gz IKDZRGLUDPKDSM-SZVPOOPASA-N 1 3 319.493 2.288 20 0 DEADHO C[N@H+](CC1CC(C)(C)C1)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000961030286 1085543420 /nfs/dbraw/zinc/54/34/20/1085543420.db2.gz UAMRTHPOJRVPKC-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO C[N@@H+](CC1CC(C)(C)C1)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000961030286 1085543428 /nfs/dbraw/zinc/54/34/28/1085543428.db2.gz UAMRTHPOJRVPKC-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+]Cc1cc(C)cc(C)c1 ZINC001128532943 1086186318 /nfs/dbraw/zinc/18/63/18/1086186318.db2.gz BRZDENBYXRZXHW-KRWDZBQOSA-N 1 3 323.456 2.189 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CC2CC2)C1 ZINC000963365787 1086426306 /nfs/dbraw/zinc/42/63/06/1086426306.db2.gz HUTQMYLYGVIMIU-WBVHZDCISA-N 1 3 316.449 2.065 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CC2CC2)C1 ZINC000963365787 1086426309 /nfs/dbraw/zinc/42/63/09/1086426309.db2.gz HUTQMYLYGVIMIU-WBVHZDCISA-N 1 3 316.449 2.065 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+][C@H](C)c1ccccc1C ZINC001168754901 1086477513 /nfs/dbraw/zinc/47/75/13/1086477513.db2.gz DINLCGJYLDQDRZ-MRXNPFEDSA-N 1 3 305.466 2.494 20 0 DEADHO CC(C)[NH2+]C1CCC(N(C)C(=O)CN2CCC(C)(C)C2)CC1 ZINC000963902217 1086591640 /nfs/dbraw/zinc/59/16/40/1086591640.db2.gz HUCLLQBJQWUFGB-UHFFFAOYSA-N 1 3 309.498 2.486 20 0 DEADHO CCN1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C(C)(C)C1 ZINC001410026611 1087577369 /nfs/dbraw/zinc/57/73/69/1087577369.db2.gz GWGGSQFOFSICND-OAHLLOKOSA-N 1 3 309.498 2.486 20 0 DEADHO CCN1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C(C)(C)C1 ZINC001410026611 1087577371 /nfs/dbraw/zinc/57/73/71/1087577371.db2.gz GWGGSQFOFSICND-OAHLLOKOSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@@H](C(=O)N1CCC2(CC1)CC[NH+](CCF)CC2)N(C)C ZINC000957606015 1088452460 /nfs/dbraw/zinc/45/24/60/1088452460.db2.gz VNQCHCSLIJWGBP-HNNXBMFYSA-N 1 3 313.461 2.001 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)N2CCN(CC3CCCCCC3)CC2)C1 ZINC000957649464 1088495150 /nfs/dbraw/zinc/49/51/50/1088495150.db2.gz KZSDTOKMKVXZEN-KRWDZBQOSA-N 1 3 307.482 2.053 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)N2CCN(CC3CCCCCC3)CC2)C1 ZINC000957649464 1088495161 /nfs/dbraw/zinc/49/51/61/1088495161.db2.gz KZSDTOKMKVXZEN-KRWDZBQOSA-N 1 3 307.482 2.053 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C ZINC001080021483 1088565614 /nfs/dbraw/zinc/56/56/14/1088565614.db2.gz BLMUPMXDFBBWTN-NXHRZFHOSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C ZINC001080021483 1088565627 /nfs/dbraw/zinc/56/56/27/1088565627.db2.gz BLMUPMXDFBBWTN-NXHRZFHOSA-N 1 3 321.509 2.343 20 0 DEADHO CC[N@H+](CC1CCC1)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC000957776803 1088611734 /nfs/dbraw/zinc/61/17/34/1088611734.db2.gz UTIIWWCICVJFDX-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CC[N@@H+](CC1CCC1)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC000957776803 1088611743 /nfs/dbraw/zinc/61/17/43/1088611743.db2.gz UTIIWWCICVJFDX-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCC3)C[C@H]21)CC(C)(C)C ZINC001114839588 1089026122 /nfs/dbraw/zinc/02/61/22/1089026122.db2.gz DVHXKZIELPUROJ-VQFNDLOPSA-N 1 3 321.509 2.201 20 0 DEADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21)CC(C)(C)C ZINC001114839588 1089026140 /nfs/dbraw/zinc/02/61/40/1089026140.db2.gz DVHXKZIELPUROJ-VQFNDLOPSA-N 1 3 321.509 2.201 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCCC3)C[C@H]21)N(C)C ZINC001114848643 1089140889 /nfs/dbraw/zinc/14/08/89/1089140889.db2.gz CXQCCRFTQZSTOD-XWTMOSNGSA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCCC3)C[C@H]21)N(C)C ZINC001114848643 1089140901 /nfs/dbraw/zinc/14/09/01/1089140901.db2.gz CXQCCRFTQZSTOD-XWTMOSNGSA-N 1 3 321.509 2.343 20 0 DEADHO CC[NH2+]C[C@@H]1c2ccccc2CCN1C(=O)[C@@H](C1CC1)N(C)C ZINC000958791376 1089184884 /nfs/dbraw/zinc/18/48/84/1089184884.db2.gz QPQHMVDTOMVFJH-QZTJIDSGSA-N 1 3 315.461 2.062 20 0 DEADHO CC[NH2+]C[C@H]1c2ccccc2CCN1C(=O)CN1CC[C@H](C)C1 ZINC000958803425 1089193260 /nfs/dbraw/zinc/19/32/60/1089193260.db2.gz TVBJUIBQTZUMPS-YJBOKZPZSA-N 1 3 315.461 2.064 20 0 DEADHO CC(C)=CCN1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001084422148 1090284325 /nfs/dbraw/zinc/28/43/25/1090284325.db2.gz NOPPZBONNDYHFI-FGTMMUONSA-N 1 3 319.493 2.360 20 0 DEADHO CC(C)=CCN1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001084422148 1090284341 /nfs/dbraw/zinc/28/43/41/1090284341.db2.gz NOPPZBONNDYHFI-FGTMMUONSA-N 1 3 319.493 2.360 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(C)c2)C1 ZINC001410220890 1090436827 /nfs/dbraw/zinc/43/68/27/1090436827.db2.gz LXARMRQIAMMNDA-IYARVYRRSA-N 1 3 317.477 2.321 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C3CCC(C)CC3)CC2)CC[N@@H+]1C ZINC001412570798 1091529080 /nfs/dbraw/zinc/52/90/80/1091529080.db2.gz XRCGTJIETGQNNN-ZGUYJTEBSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C3CCC(C)CC3)CC2)CC[N@H+]1C ZINC001412570798 1091529082 /nfs/dbraw/zinc/52/90/82/1091529082.db2.gz XRCGTJIETGQNNN-ZGUYJTEBSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001275151367 1091587163 /nfs/dbraw/zinc/58/71/63/1091587163.db2.gz ARTXVQAURHOQLA-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO C[C@@H](C[NH2+]C/C=C\c1ccccc1)NC(=O)CN1CC[C@H](C)C1 ZINC001275309623 1091663498 /nfs/dbraw/zinc/66/34/98/1091663498.db2.gz FYSDOWAJQCAYQU-GCZRAQGHSA-N 1 3 315.461 2.136 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCC[C@@H](N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000948811951 1091951215 /nfs/dbraw/zinc/95/12/15/1091951215.db2.gz CIYLBDUPTBDOJK-GDBMZVCRSA-N 1 3 306.454 2.311 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCC[C@@H](N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000948811951 1091951222 /nfs/dbraw/zinc/95/12/22/1091951222.db2.gz CIYLBDUPTBDOJK-GDBMZVCRSA-N 1 3 306.454 2.311 20 0 DEADHO CN(C)CCN1CC2(CCC1=O)CC[NH+](CCCCF)CC2 ZINC001273755797 1092031552 /nfs/dbraw/zinc/03/15/52/1092031552.db2.gz UMKKTKYKMPVAJI-UHFFFAOYSA-N 1 3 313.461 2.002 20 0 DEADHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3ccccn3)(C1)CCC2 ZINC001275872422 1092259336 /nfs/dbraw/zinc/25/93/36/1092259336.db2.gz GKQJUNKAYHEMRW-MSOLQXFVSA-N 1 3 319.449 2.227 20 0 DEADHO CN1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCC1=CCCCC1 ZINC001273911509 1092501340 /nfs/dbraw/zinc/50/13/40/1092501340.db2.gz UDJOFMJWDWBDHS-OSJSJHBBSA-N 1 3 305.466 2.233 20 0 DEADHO CC[C@H](C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001488915895 1092815179 /nfs/dbraw/zinc/81/51/79/1092815179.db2.gz KJDQJVPDBCWECA-HRCADAONSA-N 1 3 309.498 2.391 20 0 DEADHO CN(CCF)C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001490765553 1093515990 /nfs/dbraw/zinc/51/59/90/1093515990.db2.gz FFTYSUGVENQJRN-CVEARBPZSA-N 1 3 313.461 2.001 20 0 DEADHO CN(CCF)C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001490765553 1093515995 /nfs/dbraw/zinc/51/59/95/1093515995.db2.gz FFTYSUGVENQJRN-CVEARBPZSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@H+](C)C[C@@H](C)N ZINC001236154265 1138334308 /nfs/dbraw/zinc/33/43/08/1138334308.db2.gz OOTVVKDCORBSBO-NHIYQJMISA-N 1 3 316.486 2.427 20 0 DEADHO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@@H+](C)C[C@@H](C)N ZINC001236154265 1138334312 /nfs/dbraw/zinc/33/43/12/1138334312.db2.gz OOTVVKDCORBSBO-NHIYQJMISA-N 1 3 316.486 2.427 20 0 DEADHO Clc1ncnc(Cl)c1CCN1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315217 1138350707 /nfs/dbraw/zinc/35/07/07/1138350707.db2.gz WGTSGPIUFMDDPU-PHIMTYICSA-N 1 3 315.248 2.257 20 0 DEADHO Brc1ncccc1CN1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236316221 1138350850 /nfs/dbraw/zinc/35/08/50/1138350850.db2.gz PVVPILLRMYBHEH-TXEJJXNPSA-N 1 3 310.239 2.276 20 0 DEADHO N[C@H](Cc1ccccc1)C[N@@H+]1CCCN(c2cccnc2)CC1 ZINC001236434446 1138362246 /nfs/dbraw/zinc/36/22/46/1138362246.db2.gz RNHDBUHMNZZCJE-GOSISDBHSA-N 1 3 310.445 2.164 20 0 DEADHO N[C@H](Cc1ccccc1)C[N@H+]1CCCN(c2cccnc2)CC1 ZINC001236434446 1138362252 /nfs/dbraw/zinc/36/22/52/1138362252.db2.gz RNHDBUHMNZZCJE-GOSISDBHSA-N 1 3 310.445 2.164 20 0 DEADHO Nc1cc(CN(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)ccn1 ZINC001236560014 1138375345 /nfs/dbraw/zinc/37/53/45/1138375345.db2.gz AWWBFVXJTHGOLI-QAQDUYKDSA-N 1 3 311.433 2.331 20 0 DEADHO c1cc2n(c1CN1Cc3ccccc3C13CC[NH2+]CC3)CCNC2 ZINC001237304468 1138573954 /nfs/dbraw/zinc/57/39/54/1138573954.db2.gz ISXKTFHKGSHIOX-UHFFFAOYSA-N 1 3 322.456 2.186 20 0 DEADHO CCOC(=O)[C@H]1CN(Cc2ccc(F)c(C)c2)CCC12C[NH2+]C2 ZINC001237432595 1138622491 /nfs/dbraw/zinc/62/24/91/1138622491.db2.gz ZHYNSBCPWICPGH-OAHLLOKOSA-N 1 3 320.408 2.109 20 0 DEADHO CC(C)CN1CCC([NH+]2CCC(C(=O)N3CC=CC3)CC2)CC1 ZINC001278120168 1138709645 /nfs/dbraw/zinc/70/96/45/1138709645.db2.gz GJJXWIRVDKPYAA-UHFFFAOYSA-N 1 3 319.493 2.217 20 0 DEADHO CC[NH+]1CCC(CN2CC[C@@H]3C[C@@]32C(=O)NC(C)(C)C)CC1 ZINC001278126256 1138733243 /nfs/dbraw/zinc/73/32/43/1138733243.db2.gz DBUZKRKGJGHZMQ-QAPCUYQASA-N 1 3 307.482 2.097 20 0 DEADHO FCCCCN1CCC[C@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC001278205790 1138835835 /nfs/dbraw/zinc/83/58/35/1138835835.db2.gz TUMXYSCOZNXYSS-KRWDZBQOSA-N 1 3 308.445 2.421 20 0 DEADHO FCCCCN1CCC[C@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC001278205790 1138835836 /nfs/dbraw/zinc/83/58/36/1138835836.db2.gz TUMXYSCOZNXYSS-KRWDZBQOSA-N 1 3 308.445 2.421 20 0 DEADHO C[C@H]1[C@H]([NH2+]CCCCCF)CCN1C(=O)CN(C)C1CCC1 ZINC001278263477 1138864519 /nfs/dbraw/zinc/86/45/19/1138864519.db2.gz JDWDGMUGEBVHPY-GOEBONIOSA-N 1 3 313.461 2.190 20 0 DEADHO CCc1cccc(NC(=O)NC[C@H]2CCC3(CCNCC3)[NH2+]2)c1 ZINC001239218277 1138991786 /nfs/dbraw/zinc/99/17/86/1138991786.db2.gz XTLYQOAOWWBMSZ-MRXNPFEDSA-N 1 3 316.449 2.245 20 0 DEADHO c1ccc(CN2CC=C(c3ncnc4c3CC[NH2+]CC4)CC2)cc1 ZINC001241501651 1139821955 /nfs/dbraw/zinc/82/19/55/1139821955.db2.gz QTUROYJSAZPFTD-UHFFFAOYSA-N 1 3 320.440 2.454 20 0 DEADHO CN(C)Cc1cncc(-c2ccc(CN3CC[NH2+]CC3)cc2)c1 ZINC001241981327 1139868478 /nfs/dbraw/zinc/86/84/78/1139868478.db2.gz UMVZJZZMQLZAAD-UHFFFAOYSA-N 1 3 310.445 2.215 20 0 DEADHO CN1CCN(c2cccc(-c3ccc4c(n3)C[NH2+]CC4)c2)CC1 ZINC001243666229 1140208467 /nfs/dbraw/zinc/20/84/67/1140208467.db2.gz ISPQJTCQQLTOQJ-UHFFFAOYSA-N 1 3 308.429 2.146 20 0 DEADHO C[C@H](C[NH2+]CCCCC(F)(F)F)N(C)C(=O)[C@H]1CCCN1C ZINC001319436888 1140574802 /nfs/dbraw/zinc/57/48/02/1140574802.db2.gz NLRSNYHZIXLEAR-CHWSQXEVSA-N 1 3 323.403 2.250 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@H]1CC[NH2+]C/C=C/Cl)N(C)C ZINC001319788992 1140715454 /nfs/dbraw/zinc/71/54/54/1140715454.db2.gz VLERZSPEUHLYJU-PAVULQLHSA-N 1 3 315.889 2.440 20 0 DEADHO CC[NH+](CC)C1CCN(C(=O)N[C@@H](C)C2=CCN(C)CC2)CC1 ZINC001320075358 1140818215 /nfs/dbraw/zinc/81/82/15/1140818215.db2.gz GKSMCYOODYOYBZ-HNNXBMFYSA-N 1 3 322.497 2.153 20 0 DEADHO O[C@@H](CNC[C@@H]1CCC[NH2+]C1)COc1cccc2ccccc21 ZINC001245982419 1140841705 /nfs/dbraw/zinc/84/17/05/1140841705.db2.gz OYZIBYKHKDXTKT-WBVHZDCISA-N 1 3 314.429 2.169 20 0 DEADHO Cc1ccccc1OC[C@@H](O)CN1CCCC[C@@](C)(C[NH3+])C1 ZINC001246019309 1140847552 /nfs/dbraw/zinc/84/75/52/1140847552.db2.gz DHZFHKUETIUHRV-WMZOPIPTSA-N 1 3 306.450 2.186 20 0 DEADHO O[C@@]1(C[NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)CCNC[C@@H]1F ZINC001246082381 1140858342 /nfs/dbraw/zinc/85/83/42/1140858342.db2.gz LSGJQFZIURIASY-VSZNYVQBSA-N 1 3 306.425 2.365 20 0 DEADHO O=C(c1ccccc1)N1CCC[C@H]([NH2+][C@@H]2CCCCNC2)C1 ZINC001246089364 1140859351 /nfs/dbraw/zinc/85/93/51/1140859351.db2.gz DHMGBUSQHRFGLW-SJORKVTESA-N 1 3 301.434 2.023 20 0 DEADHO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246089024 1140859647 /nfs/dbraw/zinc/85/96/47/1140859647.db2.gz OGQRIVKNOZCLJI-NZVBXONLSA-N 1 3 318.795 2.062 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)Nc3ccccc3)CC2)CCN1 ZINC001246240618 1140876377 /nfs/dbraw/zinc/87/63/77/1140876377.db2.gz RCBMEAZSFZXNJR-YOEHRIQHSA-N 1 3 316.449 2.413 20 0 DEADHO O=C(Nc1ccccc1)N1CCC([NH2+]C2CCNCC2)CC1 ZINC001246240564 1140876669 /nfs/dbraw/zinc/87/66/69/1140876669.db2.gz QLTAQPWFCFYXHK-UHFFFAOYSA-N 1 3 302.422 2.025 20 0 DEADHO Cc1c(F)cccc1CN1CCC([NH2+][C@H]2CCCNC2)CC1 ZINC001246356251 1140887573 /nfs/dbraw/zinc/88/75/73/1140887573.db2.gz SBGSHFGEBXYGSL-KRWDZBQOSA-N 1 3 305.441 2.440 20 0 DEADHO C[C@@H]1CC[C@H](NCC2CCN(C(=O)c3ccccc3)CC2)C[NH2+]1 ZINC001246369934 1140889418 /nfs/dbraw/zinc/88/94/18/1140889418.db2.gz WCTFTTPTJDAYSE-QAPCUYQASA-N 1 3 315.461 2.269 20 0 DEADHO CCN(CC[NH2+]Cc1ccc(F)cc1C)C(=O)[C@@H]1CCCN1C ZINC001320694432 1140896054 /nfs/dbraw/zinc/89/60/54/1140896054.db2.gz LNKFKNVDHGOOKU-KRWDZBQOSA-N 1 3 321.440 2.166 20 0 DEADHO C[C@@]1(N)CC[N@@H+]([C@@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001246531731 1140937898 /nfs/dbraw/zinc/93/78/98/1140937898.db2.gz SQQALGAIRUXNSZ-SJLPKXTDSA-N 1 3 301.434 2.104 20 0 DEADHO C[C@@]1(N)CC[N@H+]([C@@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001246531731 1140937909 /nfs/dbraw/zinc/93/79/09/1140937909.db2.gz SQQALGAIRUXNSZ-SJLPKXTDSA-N 1 3 301.434 2.104 20 0 DEADHO COc1ccc([C@@H]2C[C@H]([N@@H+]3C[C@H](C)[C@H](CN)C3)CCO2)cc1 ZINC001246538705 1140944730 /nfs/dbraw/zinc/94/47/30/1140944730.db2.gz FGHPJSDXUCULKO-ZDRJDWQYSA-N 1 3 304.434 2.442 20 0 DEADHO COc1ccc([C@@H]2C[C@H]([N@H+]3C[C@H](C)[C@H](CN)C3)CCO2)cc1 ZINC001246538705 1140944736 /nfs/dbraw/zinc/94/47/36/1140944736.db2.gz FGHPJSDXUCULKO-ZDRJDWQYSA-N 1 3 304.434 2.442 20 0 DEADHO CCOC(=O)CC1CCC(N2CCC(F)(F)[C@H](C[NH3+])C2)CC1 ZINC001246562742 1140967769 /nfs/dbraw/zinc/96/77/69/1140967769.db2.gz ZJQGQZGSGSWKAW-ROKHWSDSSA-N 1 3 318.408 2.414 20 0 DEADHO COC(=O)c1ccc(C[C@H](C)N2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001246570352 1140972287 /nfs/dbraw/zinc/97/22/87/1140972287.db2.gz PMDHQFQYKCRVCO-APHBMKBZSA-N 1 3 308.397 2.165 20 0 DEADHO CCOC(=O)[C@@]12CN([C@H](C)Cc3ccco3)C[C@@H]1C[NH2+]CCC2 ZINC001246593589 1140995364 /nfs/dbraw/zinc/99/53/64/1140995364.db2.gz HGLPNHNRJOOUGB-VKJFTORMSA-N 1 3 320.433 2.075 20 0 DEADHO COC(=O)c1ccc(C[C@H](C)N2C[C@H](C[NH3+])CC[C@H]2C)cc1 ZINC001246595420 1140996991 /nfs/dbraw/zinc/99/69/91/1140996991.db2.gz ZNGJNOJPSHSNMY-YCPHGPKFSA-N 1 3 304.434 2.463 20 0 DEADHO COC(=O)c1ccc(C[C@H](C)[N@@H+]2C[C@H](CN)CC[C@H]2C)cc1 ZINC001246595420 1140997012 /nfs/dbraw/zinc/99/70/12/1140997012.db2.gz ZNGJNOJPSHSNMY-YCPHGPKFSA-N 1 3 304.434 2.463 20 0 DEADHO COC(=O)c1ccc(C[C@H](C)[N@H+]2C[C@H](CN)CC[C@H]2C)cc1 ZINC001246595420 1140997030 /nfs/dbraw/zinc/99/70/30/1140997030.db2.gz ZNGJNOJPSHSNMY-YCPHGPKFSA-N 1 3 304.434 2.463 20 0 DEADHO CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2[C@H]2CCN[C@@H](C)C2)O1 ZINC001246746301 1141050074 /nfs/dbraw/zinc/05/00/74/1141050074.db2.gz OVPGEBOWYABINE-QXDIGNSFSA-N 1 3 310.482 2.421 20 0 DEADHO CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2[C@H]2CCN[C@@H](C)C2)O1 ZINC001246746301 1141050082 /nfs/dbraw/zinc/05/00/82/1141050082.db2.gz OVPGEBOWYABINE-QXDIGNSFSA-N 1 3 310.482 2.421 20 0 DEADHO Fc1ccc([C@H]2CSCCN2[C@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246823052 1141077425 /nfs/dbraw/zinc/07/74/25/1141077425.db2.gz MSLGMYFTDOHZIN-JKSUJKDBSA-N 1 3 321.465 2.010 20 0 DEADHO CCC[C@H](COC)[N@H+](CCC(=O)OCC)[C@@H]1CCN[C@@H](C)C1 ZINC001246893251 1141105341 /nfs/dbraw/zinc/10/53/41/1141105341.db2.gz VIIYTHGVMXMFND-ARFHVFGLSA-N 1 3 314.470 2.197 20 0 DEADHO CCC[C@H](COC)[N@@H+](CCC(=O)OCC)[C@@H]1CCN[C@@H](C)C1 ZINC001246893251 1141105347 /nfs/dbraw/zinc/10/53/47/1141105347.db2.gz VIIYTHGVMXMFND-ARFHVFGLSA-N 1 3 314.470 2.197 20 0 DEADHO CCC[C@H](COC)N(CCC(=O)OCC)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246893251 1141105356 /nfs/dbraw/zinc/10/53/56/1141105356.db2.gz VIIYTHGVMXMFND-ARFHVFGLSA-N 1 3 314.470 2.197 20 0 DEADHO NC(=S)C1CC[NH+]([C@H]2CCN[C@H](Cc3ccccc3)C2)CC1 ZINC001246900724 1141110778 /nfs/dbraw/zinc/11/07/78/1141110778.db2.gz WXQSNMTXYVXWQZ-SJORKVTESA-N 1 3 317.502 2.348 20 0 DEADHO NC(=S)C1CCN([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC1 ZINC001246900724 1141110790 /nfs/dbraw/zinc/11/07/90/1141110790.db2.gz WXQSNMTXYVXWQZ-SJORKVTESA-N 1 3 317.502 2.348 20 0 DEADHO COC(=O)[C@@H]1CN([C@@H]2CC[NH2+][C@@H](C)C2)C[C@H]1c1ccccc1 ZINC001246983323 1141214637 /nfs/dbraw/zinc/21/46/37/1141214637.db2.gz HNKAFPQRCLEIRY-PQEBFOHHSA-N 1 3 302.418 2.016 20 0 DEADHO O=C(CN1CCCC1)NC/C=C\C[NH2+]CCC1=CCCCC1 ZINC001321406509 1141231231 /nfs/dbraw/zinc/23/12/31/1141231231.db2.gz XMJUANHMAGQNJZ-PLNGDYQASA-N 1 3 305.466 2.235 20 0 DEADHO c1cc(CN2CCC(N3CC[C@@H]4[NH2+]CCC[C@@H]4C3)CC2)ccn1 ZINC001247013104 1141245541 /nfs/dbraw/zinc/24/55/41/1141245541.db2.gz FUIPEGUPIABIKD-MJGOQNOKSA-N 1 3 314.477 2.120 20 0 DEADHO c1cc(-c2nc3ccccc3n2[C@H]2CC[NH2+]C2)n2c1CNCC2 ZINC001247047142 1141256412 /nfs/dbraw/zinc/25/64/12/1141256412.db2.gz KJKIVMAGUKCJGG-AWEZNQCLSA-N 1 3 307.401 2.142 20 0 DEADHO CC[C@H](C(=O)N(C)CCC[NH2+][C@H]1CCc2ccccc21)N(C)C ZINC001322793692 1141716887 /nfs/dbraw/zinc/71/68/87/1141716887.db2.gz UXVKUAANXNIAAM-ZWKOTPCHSA-N 1 3 317.477 2.452 20 0 DEADHO CC1CCN(CCC[NH2+]C[C@H](O)COc2ccc(F)cc2)CC1 ZINC001251941110 1142554944 /nfs/dbraw/zinc/55/49/44/1142554944.db2.gz KVYBSDXNDNXQHC-KRWDZBQOSA-N 1 3 324.440 2.277 20 0 DEADHO C[NH+](C)[C@@H]1C[C@H](NC[C@@H](O)CCOCc2ccccc2)C1(C)C ZINC001336835074 1142589784 /nfs/dbraw/zinc/58/97/84/1142589784.db2.gz ZKFXCYJFBHNRIT-OKZBNKHCSA-N 1 3 320.477 2.273 20 0 DEADHO CC[NH+](CC)C[C@H](O)CN[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001253208747 1142854174 /nfs/dbraw/zinc/85/41/74/1142854174.db2.gz STMZDGNWJJRXQS-KZNAEPCWSA-N 1 3 306.450 2.199 20 0 DEADHO CC[NH+](CC)C[C@H](O)CN[C@H]1CCc2cc(Cl)ccc2C1 ZINC001253211214 1142854682 /nfs/dbraw/zinc/85/46/82/1142854682.db2.gz UJVQUTWKADBIHD-DLBZAZTESA-N 1 3 310.869 2.490 20 0 DEADHO CCN(CC)C[C@H](O)C[NH2+][C@H]1CSc2c(cccc2OC)C1 ZINC001253212964 1142855005 /nfs/dbraw/zinc/85/50/05/1142855005.db2.gz JNGKPTLHQYHFGA-HUUCEWRRSA-N 1 3 324.490 2.004 20 0 DEADHO CC(C)[NH+]1CCC(NC[C@H](O)CCOCc2ccccc2)CC1 ZINC001253292617 1142861899 /nfs/dbraw/zinc/86/18/99/1142861899.db2.gz VSWPICZJHAPABV-LJQANCHMSA-N 1 3 320.477 2.417 20 0 DEADHO CO[C@@H]1CCC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254028985 1143027799 /nfs/dbraw/zinc/02/77/99/1143027799.db2.gz ALQHYODDMWLNMB-GOSISDBHSA-N 1 3 318.461 2.124 20 0 DEADHO CO[C@@H]1CCC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254028985 1143027808 /nfs/dbraw/zinc/02/78/08/1143027808.db2.gz ALQHYODDMWLNMB-GOSISDBHSA-N 1 3 318.461 2.124 20 0 DEADHO OC1(C[N@@H+]2CCC[C@H]3C[C@H]32)CCN(Cc2ccccc2)CC1 ZINC001254042929 1143030823 /nfs/dbraw/zinc/03/08/23/1143030823.db2.gz XJXZMPFFWAJANU-ZWKOTPCHSA-N 1 3 300.446 2.498 20 0 DEADHO OC1(C[N@H+]2CCC[C@H]3C[C@H]32)CCN(Cc2ccccc2)CC1 ZINC001254042929 1143030828 /nfs/dbraw/zinc/03/08/28/1143030828.db2.gz XJXZMPFFWAJANU-ZWKOTPCHSA-N 1 3 300.446 2.498 20 0 DEADHO COC(=O)CCc1ccc(C[NH2+][C@@H]2CCCN(C)CC2)cc1 ZINC001254507762 1143151345 /nfs/dbraw/zinc/15/13/45/1143151345.db2.gz DAQOPBFMARGFQA-QGZVFWFLSA-N 1 3 304.434 2.366 20 0 DEADHO COC(=O)CCc1ccc(CN[C@@H]2CCC[N@H+](C)CC2)cc1 ZINC001254507762 1143151364 /nfs/dbraw/zinc/15/13/64/1143151364.db2.gz DAQOPBFMARGFQA-QGZVFWFLSA-N 1 3 304.434 2.366 20 0 DEADHO COC(=O)CCc1ccc(CN[C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254507762 1143151381 /nfs/dbraw/zinc/15/13/81/1143151381.db2.gz DAQOPBFMARGFQA-QGZVFWFLSA-N 1 3 304.434 2.366 20 0 DEADHO COc1cccnc1O[C@H]1CCC[N@@H+]([C@@H]2CCCN(C)CC2)C1 ZINC001254532176 1143226732 /nfs/dbraw/zinc/22/67/32/1143226732.db2.gz QTHQVSMJGGWRKM-CVEARBPZSA-N 1 3 319.449 2.418 20 0 DEADHO COc1cccnc1O[C@H]1CCC[N@H+]([C@@H]2CCCN(C)CC2)C1 ZINC001254532176 1143226762 /nfs/dbraw/zinc/22/67/62/1143226762.db2.gz QTHQVSMJGGWRKM-CVEARBPZSA-N 1 3 319.449 2.418 20 0 DEADHO C[C@@H](CN)C[N@H+](C)[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254765977 1143320858 /nfs/dbraw/zinc/32/08/58/1143320858.db2.gz BSFGJNHWAWXURV-KBPBESRZSA-N 1 3 311.470 2.303 20 0 DEADHO C[C@@H](CN)C[N@@H+](C)[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254765977 1143320868 /nfs/dbraw/zinc/32/08/68/1143320868.db2.gz BSFGJNHWAWXURV-KBPBESRZSA-N 1 3 311.470 2.303 20 0 DEADHO C[C@H](CN)C[N@H+](C)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254972607 1143377426 /nfs/dbraw/zinc/37/74/26/1143377426.db2.gz UVXJPAXCCNQILO-QPSCCSFWSA-N 1 3 311.470 2.301 20 0 DEADHO C[C@H](CN)C[N@@H+](C)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254972607 1143377439 /nfs/dbraw/zinc/37/74/39/1143377439.db2.gz UVXJPAXCCNQILO-QPSCCSFWSA-N 1 3 311.470 2.301 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)CCSCCC[NH3+])CC1 ZINC001340823565 1143444708 /nfs/dbraw/zinc/44/47/08/1143444708.db2.gz OGHKXSXBDIGKGN-UHFFFAOYSA-N 1 3 315.527 2.039 20 0 DEADHO CN1CC[N@@H+]([C@H]2CCCN(Cc3ccccc3)CC2)CCC1=O ZINC001255407020 1143598519 /nfs/dbraw/zinc/59/85/19/1143598519.db2.gz VUJJKBUQHXAUPO-SFHVURJKSA-N 1 3 315.461 2.205 20 0 DEADHO CN1CC[N@H+]([C@H]2CCCN(Cc3ccccc3)CC2)CCC1=O ZINC001255407020 1143598538 /nfs/dbraw/zinc/59/85/38/1143598538.db2.gz VUJJKBUQHXAUPO-SFHVURJKSA-N 1 3 315.461 2.205 20 0 DEADHO CC[NH+](CC)CC[C@H](C)N[C@H](CN1CCOCC1)C(C)(C)C ZINC001255955434 1143816763 /nfs/dbraw/zinc/81/67/63/1143816763.db2.gz TVWDSTCKVQIDKD-DLBZAZTESA-N 1 3 313.530 2.443 20 0 DEADHO C[C@@H]1C[C@H](N2CCC(=O)N(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256552132 1143853680 /nfs/dbraw/zinc/85/36/80/1143853680.db2.gz ZEAPTGMORBGNJK-SJLPKXTDSA-N 1 3 315.461 2.204 20 0 DEADHO C[C@@H]1C[C@H](N2CCC(=O)N(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256552132 1143853681 /nfs/dbraw/zinc/85/36/81/1143853681.db2.gz ZEAPTGMORBGNJK-SJLPKXTDSA-N 1 3 315.461 2.204 20 0 DEADHO CC(C)(C)[NH+]1CCC(NCCn2nnc3ccccc32)CC1 ZINC001256562446 1143854016 /nfs/dbraw/zinc/85/40/16/1143854016.db2.gz UNGXQJBINQFSJV-UHFFFAOYSA-N 1 3 301.438 2.284 20 0 DEADHO CC(C)(C)N1CCC([N@@H+]2CCC[C@]3(CCCC(=O)N3)C2)CC1 ZINC001256570251 1143854594 /nfs/dbraw/zinc/85/45/94/1143854594.db2.gz COCXZWVDXSVYKO-GOSISDBHSA-N 1 3 307.482 2.384 20 0 DEADHO CC(C)(C)N1CCC([N@H+]2CCC[C@]3(CCCC(=O)N3)C2)CC1 ZINC001256570251 1143854597 /nfs/dbraw/zinc/85/45/97/1143854597.db2.gz COCXZWVDXSVYKO-GOSISDBHSA-N 1 3 307.482 2.384 20 0 DEADHO C1CO[C@@H]2CC[N@@H+](C3CCC(N4CCOCC4)CC3)C[C@H]2C1 ZINC001256689396 1143862452 /nfs/dbraw/zinc/86/24/52/1143862452.db2.gz VKORWLACOVBXIW-AQEOSJORSA-N 1 3 308.466 2.131 20 0 DEADHO C1CO[C@@H]2CC[N@H+](C3CCC(N4CCOCC4)CC3)C[C@H]2C1 ZINC001256689396 1143862453 /nfs/dbraw/zinc/86/24/53/1143862453.db2.gz VKORWLACOVBXIW-AQEOSJORSA-N 1 3 308.466 2.131 20 0 DEADHO C[NH2+]Cc1cccc(NC2CCC(N3CCOCC3)CC2)c1 ZINC001256699197 1143863509 /nfs/dbraw/zinc/86/35/09/1143863509.db2.gz VLJUFKDFCNXERC-UHFFFAOYSA-N 1 3 303.450 2.461 20 0 DEADHO c1nc(CNC2CCN(c3cc[nH+]cc3)CC2)cn1CC1CC1 ZINC001256854015 1143871029 /nfs/dbraw/zinc/87/10/29/1143871029.db2.gz GJTPLVJWOADYHN-UHFFFAOYSA-N 1 3 311.433 2.447 20 0 DEADHO COCCN1CCC([NH2+][C@H]2CCCN(C3CCCC3)C2)CC1 ZINC001256910320 1143874619 /nfs/dbraw/zinc/87/46/19/1143874619.db2.gz YXBYAVAECVZGGW-KRWDZBQOSA-N 1 3 309.498 2.094 20 0 DEADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](C3CCCCC3)CC[C@@H]21 ZINC001257458308 1143923075 /nfs/dbraw/zinc/92/30/75/1143923075.db2.gz ZIVDXQKDPSEONF-PVAVHDDUSA-N 1 3 303.454 2.005 20 0 DEADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](C3CCCCC3)CC[C@@H]21 ZINC001257458308 1143923081 /nfs/dbraw/zinc/92/30/81/1143923081.db2.gz ZIVDXQKDPSEONF-PVAVHDDUSA-N 1 3 303.454 2.005 20 0 DEADHO CC(C)C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001263954844 1144431847 /nfs/dbraw/zinc/43/18/47/1144431847.db2.gz CVZDEFPEAHSZCI-HOCLYGCPSA-N 1 3 306.454 2.215 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]C/C=C\Cl)N(C)C ZINC001264564404 1144567744 /nfs/dbraw/zinc/56/77/44/1144567744.db2.gz QUINLGQBQBVESR-TZORKEBWSA-N 1 3 315.889 2.296 20 0 DEADHO CN(CCCNC(=O)C1(C[NH+](C)C)CC1)Cc1ccsc1 ZINC001265027216 1144627765 /nfs/dbraw/zinc/62/77/65/1144627765.db2.gz JISMSSMQAOZWQG-UHFFFAOYSA-N 1 3 309.479 2.028 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CC12CC[NH+](CC=C(C)C)CC2)N(C)C ZINC001265332254 1144695252 /nfs/dbraw/zinc/69/52/52/1144695252.db2.gz QUVFBJIVJUJXCS-JKSUJKDBSA-N 1 3 307.482 2.264 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CCC[N@H+](CCCCCF)C1 ZINC001265594693 1144716469 /nfs/dbraw/zinc/71/64/69/1144716469.db2.gz IGYLSDUNEUKSHG-OAHLLOKOSA-N 1 3 324.444 2.229 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CCC[N@@H+](CCCCCF)C1 ZINC001265594693 1144716473 /nfs/dbraw/zinc/71/64/73/1144716473.db2.gz IGYLSDUNEUKSHG-OAHLLOKOSA-N 1 3 324.444 2.229 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]CCC3CCCC3)C2)C1 ZINC001266016480 1144788014 /nfs/dbraw/zinc/78/80/14/1144788014.db2.gz ZNSSNYIRIVXGLS-SJLPKXTDSA-N 1 3 321.509 2.347 20 0 DEADHO CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001266037357 1144797603 /nfs/dbraw/zinc/79/76/03/1144797603.db2.gz PYCMQNIFZZJVNT-CHYADLBTSA-N 1 3 307.482 2.267 20 0 DEADHO CC(C)=CC[NH2+][C@H]1CCC[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001266075772 1144803209 /nfs/dbraw/zinc/80/32/09/1144803209.db2.gz RKMLUXYDPUKNIK-GJZGRUSLSA-N 1 3 304.438 2.244 20 0 DEADHO CC(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001280082788 1144831789 /nfs/dbraw/zinc/83/17/89/1144831789.db2.gz FVWPLFQBAIOBPU-SJORKVTESA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]C/C=C\Cl)N(C)C ZINC001282337563 1145041477 /nfs/dbraw/zinc/04/14/77/1145041477.db2.gz MBLCSEJZFUINMP-CKXPSTMWSA-N 1 3 317.905 2.399 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC001364202591 1145074792 /nfs/dbraw/zinc/07/47/92/1145074792.db2.gz MBPXWUSIJITFOP-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC001364202591 1145074797 /nfs/dbraw/zinc/07/47/97/1145074797.db2.gz MBPXWUSIJITFOP-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H]1CCC[C@](CNC(=O)N(C)[C@H]2CCCN(C)C2)([NH+](C)C)C1 ZINC001364507057 1145304649 /nfs/dbraw/zinc/30/46/49/1145304649.db2.gz GAULDTZAJJFQKZ-RYRKJORJSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)CN1CCC([NH2+]Cc2ccccc2-n2cncn2)CC1 ZINC001364578901 1145357091 /nfs/dbraw/zinc/35/70/91/1145357091.db2.gz DWXNQQBMZAPFQD-UHFFFAOYSA-N 1 3 313.449 2.477 20 0 DEADHO CC[NH+]1CCC(CN2CCN(c3ccc(F)cn3)CC2)CC1 ZINC001364708031 1145493861 /nfs/dbraw/zinc/49/38/61/1145493861.db2.gz ZVFAASTVABPKMP-UHFFFAOYSA-N 1 3 306.429 2.075 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CCC1CC1)C1CC1 ZINC001283557515 1145520363 /nfs/dbraw/zinc/52/03/63/1145520363.db2.gz RUUKLDSYZCXLFP-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC[NH+]1CCC(CNCC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC001364748294 1145535386 /nfs/dbraw/zinc/53/53/86/1145535386.db2.gz XUMPIDCSXBCRDM-UHFFFAOYSA-N 1 3 311.376 2.225 20 0 DEADHO CC(C)NC1(CO)CC[NH+](C[C@@H]2CCCC23CCOCC3)CC1 ZINC001365296429 1145840724 /nfs/dbraw/zinc/84/07/24/1145840724.db2.gz BARYJVPKVARTTJ-KRWDZBQOSA-N 1 3 324.509 2.408 20 0 DEADHO CC(C)[NH2+]C1(CO)CCN(C[C@@H]2CCCC23CCOCC3)CC1 ZINC001365296429 1145840727 /nfs/dbraw/zinc/84/07/27/1145840727.db2.gz BARYJVPKVARTTJ-KRWDZBQOSA-N 1 3 324.509 2.408 20 0 DEADHO CC(C)OC1CC(N2CCC(O)(C[NH+]3CCCCC3)CC2)C1 ZINC001365345311 1145853118 /nfs/dbraw/zinc/85/31/18/1145853118.db2.gz ONHSYAHCJXYEBT-UHFFFAOYSA-N 1 3 310.482 2.255 20 0 DEADHO CN(C)c1ccccc1C[NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC001365366034 1145860311 /nfs/dbraw/zinc/86/03/11/1145860311.db2.gz UWLDJCPUVSFUER-RTBURBONSA-N 1 3 317.477 2.220 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C[NH2+]C/C=C\Cl)C(C)(C)C)N(C)C ZINC001284604104 1145878023 /nfs/dbraw/zinc/87/80/23/1145878023.db2.gz NTXUCFADWNOTMP-MPBQIQEOSA-N 1 3 303.878 2.200 20 0 DEADHO COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]CC(C)(C)CN3CCCC3)[C@@H]2C1 ZINC001365596147 1145899133 /nfs/dbraw/zinc/89/91/33/1145899133.db2.gz LLSCKPCFKBTEFD-FPCVCCKLSA-N 1 3 308.466 2.286 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC/C=C\Cl)C1 ZINC001366098026 1147052897 /nfs/dbraw/zinc/05/28/97/1147052897.db2.gz HTZWITVIQPJPOT-MJQCEFOHSA-N 1 3 313.873 2.050 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC/C=C\Cl)C1 ZINC001366098026 1147052904 /nfs/dbraw/zinc/05/29/04/1147052904.db2.gz HTZWITVIQPJPOT-MJQCEFOHSA-N 1 3 313.873 2.050 20 0 DEADHO Cc1ccc(C)c(C[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001366103071 1147055915 /nfs/dbraw/zinc/05/59/15/1147055915.db2.gz DTPXKJQFNGWEON-SFHVURJKSA-N 1 3 317.477 2.334 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]C/C=C\Cl)N(C)C ZINC001317191660 1147177597 /nfs/dbraw/zinc/17/75/97/1147177597.db2.gz JGXVYVPTFWEKFH-ZAACICEASA-N 1 3 301.862 2.050 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C ZINC001366287672 1147192920 /nfs/dbraw/zinc/19/29/20/1147192920.db2.gz RGGURGDCOIEOCI-SJLPKXTDSA-N 1 3 317.477 2.464 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]C/C=C/c2ccccc2)C1)N(C)C ZINC001366381712 1147244235 /nfs/dbraw/zinc/24/42/35/1147244235.db2.gz SPMKAPXCIRPKGY-JQJPNHIOSA-N 1 3 315.461 2.231 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]CCC(F)(F)F)N(C)C ZINC001366463487 1147295118 /nfs/dbraw/zinc/29/51/18/1147295118.db2.gz LPBIQUNFDPTRMG-NEPJUHHUSA-N 1 3 311.392 2.009 20 0 DEADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1cccc(F)c1)N(C)C ZINC001366481173 1147303302 /nfs/dbraw/zinc/30/33/02/1147303302.db2.gz UVPBEMACJQROEC-XJKSGUPXSA-N 1 3 309.429 2.150 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](C)Cc1ccccc1C1CC1)N(C)C ZINC001366563200 1147356609 /nfs/dbraw/zinc/35/66/09/1147356609.db2.gz IVPQJFHEZSVFNQ-SFHVURJKSA-N 1 3 317.477 2.452 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](C)Cc1ccccc1C1CC1)N(C)C ZINC001366563200 1147356615 /nfs/dbraw/zinc/35/66/15/1147356615.db2.gz IVPQJFHEZSVFNQ-SFHVURJKSA-N 1 3 317.477 2.452 20 0 DEADHO CCc1ccccc1C[N@@H+](C)CCNC(=O)[C@H](CC)N(C)C ZINC001366582647 1147372629 /nfs/dbraw/zinc/37/26/29/1147372629.db2.gz ITDYIQNFDWXTCM-KRWDZBQOSA-N 1 3 305.466 2.137 20 0 DEADHO CCc1ccccc1C[N@H+](C)CCNC(=O)[C@H](CC)N(C)C ZINC001366582647 1147372632 /nfs/dbraw/zinc/37/26/32/1147372632.db2.gz ITDYIQNFDWXTCM-KRWDZBQOSA-N 1 3 305.466 2.137 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2cccc(C)c2)C1)N(C)C ZINC001366707367 1147499956 /nfs/dbraw/zinc/49/99/56/1147499956.db2.gz ZMKQGGLDUIFRQJ-QZTJIDSGSA-N 1 3 317.477 2.273 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2cccc(C)c2)C1)N(C)C ZINC001366707367 1147499963 /nfs/dbraw/zinc/49/99/63/1147499963.db2.gz ZMKQGGLDUIFRQJ-QZTJIDSGSA-N 1 3 317.477 2.273 20 0 DEADHO CC[N@H+](CCCNC(=O)[C@@H]1CCCN1C)Cc1csc(C)c1 ZINC001316886538 1147569425 /nfs/dbraw/zinc/56/94/25/1147569425.db2.gz GEIKZUDFGUIBIQ-INIZCTEOSA-N 1 3 323.506 2.479 20 0 DEADHO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN1C)Cc1csc(C)c1 ZINC001316886538 1147569431 /nfs/dbraw/zinc/56/94/31/1147569431.db2.gz GEIKZUDFGUIBIQ-INIZCTEOSA-N 1 3 323.506 2.479 20 0 DEADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC1CCN(CCF)CC1 ZINC001367211872 1147664806 /nfs/dbraw/zinc/66/48/06/1147664806.db2.gz FNOIZUINCQENIS-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001367255552 1147670233 /nfs/dbraw/zinc/67/02/33/1147670233.db2.gz AJSDWQQMMOBIJA-SUMWQHHRSA-N 1 3 323.456 2.316 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+]CC1CCC(C)CC1 ZINC001367288561 1147674386 /nfs/dbraw/zinc/67/43/86/1147674386.db2.gz NDDLQCYUILNIHY-NPCAHTBFSA-N 1 3 320.481 2.429 20 0 DEADHO C[C@H](C[NH2+]CC1CC2(CCC2)C1)N(C)C(=O)CN(C)C1CCC1 ZINC001367355570 1147683287 /nfs/dbraw/zinc/68/32/87/1147683287.db2.gz FHRCQUXSZPRDKI-OAHLLOKOSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](C[NH2+]CC1CCCCCC1)N(C)C(=O)[C@@H]1CCCN1C ZINC001367362726 1147684357 /nfs/dbraw/zinc/68/43/57/1147684357.db2.gz VHNLQNWKNOUPAD-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001367526317 1147708975 /nfs/dbraw/zinc/70/89/75/1147708975.db2.gz HYMCSHGSJVCFKD-NVXWUHKLSA-N 1 3 303.450 2.232 20 0 DEADHO C[C@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001367526317 1147708977 /nfs/dbraw/zinc/70/89/77/1147708977.db2.gz HYMCSHGSJVCFKD-NVXWUHKLSA-N 1 3 303.450 2.232 20 0 DEADHO Cc1cc(C)cc(CN(C)CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001367549829 1147714477 /nfs/dbraw/zinc/71/44/77/1147714477.db2.gz GSQBMBCQLJMFBP-SFHVURJKSA-N 1 3 317.477 2.145 20 0 DEADHO Cc1cc(C)cc(CN(C)CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001367549829 1147714479 /nfs/dbraw/zinc/71/44/79/1147714479.db2.gz GSQBMBCQLJMFBP-SFHVURJKSA-N 1 3 317.477 2.145 20 0 DEADHO CCCCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001317524015 1147719943 /nfs/dbraw/zinc/71/99/43/1147719943.db2.gz WSPZLZCTCOJHHJ-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CCCCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001317524015 1147719944 /nfs/dbraw/zinc/71/99/44/1147719944.db2.gz WSPZLZCTCOJHHJ-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)=CC[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001317856910 1147758206 /nfs/dbraw/zinc/75/82/06/1147758206.db2.gz KQGDFCKQBSZAJM-GOSISDBHSA-N 1 3 321.509 2.465 20 0 DEADHO CC(C)=CC[N@H+](C)C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001317856910 1147758208 /nfs/dbraw/zinc/75/82/08/1147758208.db2.gz KQGDFCKQBSZAJM-GOSISDBHSA-N 1 3 321.509 2.465 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN(C)Cc1cccc(F)c1 ZINC001367842810 1147758577 /nfs/dbraw/zinc/75/85/77/1147758577.db2.gz CCNXJFYCHLHMTH-AWEZNQCLSA-N 1 3 309.429 2.104 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN(C)Cc1cccc(F)c1 ZINC001367842810 1147758579 /nfs/dbraw/zinc/75/85/79/1147758579.db2.gz CCNXJFYCHLHMTH-AWEZNQCLSA-N 1 3 309.429 2.104 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccc(CF)cc1)N(C)C ZINC001367847325 1147759975 /nfs/dbraw/zinc/75/99/75/1147759975.db2.gz HGWCKVSCHVHEMN-RHSMWYFYSA-N 1 3 323.456 2.433 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(CF)cc1)N(C)C ZINC001367847325 1147759977 /nfs/dbraw/zinc/75/99/77/1147759977.db2.gz HGWCKVSCHVHEMN-RHSMWYFYSA-N 1 3 323.456 2.433 20 0 DEADHO Cc1ccc(CN(C)C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)cc1F ZINC001367861317 1147762947 /nfs/dbraw/zinc/76/29/47/1147762947.db2.gz ZACMTUYWBMWWEX-GDBMZVCRSA-N 1 3 321.440 2.022 20 0 DEADHO Cc1ccc(CN(C)C[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)cc1F ZINC001367861317 1147762948 /nfs/dbraw/zinc/76/29/48/1147762948.db2.gz ZACMTUYWBMWWEX-GDBMZVCRSA-N 1 3 321.440 2.022 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(C)cc2)CC1)N(C)C ZINC001368017635 1147830569 /nfs/dbraw/zinc/83/05/69/1147830569.db2.gz AAPLYCHQSJVMAP-INIZCTEOSA-N 1 3 303.450 2.074 20 0 DEADHO CC(C)[C@H](C(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CC1)N(C)C ZINC001368038721 1147838367 /nfs/dbraw/zinc/83/83/67/1147838367.db2.gz WQDUPCQCLGNIOQ-MRXNPFEDSA-N 1 3 321.509 2.391 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001368046515 1147841224 /nfs/dbraw/zinc/84/12/24/1147841224.db2.gz RMLQIEIXGXSQFX-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@@H]1CC[N@H+](C(C)C)C1 ZINC001368046515 1147841225 /nfs/dbraw/zinc/84/12/25/1147841225.db2.gz RMLQIEIXGXSQFX-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CN(C(=O)CCC[NH+](C)C)C1CN(CC2CCCCCC2)C1 ZINC001368080406 1147849232 /nfs/dbraw/zinc/84/92/32/1147849232.db2.gz VUFODCQINZDHFM-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001326223822 1148060000 /nfs/dbraw/zinc/06/00/00/1148060000.db2.gz JTILKWVVBNFKJG-DLBZAZTESA-N 1 3 307.482 2.099 20 0 DEADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000423410303 230499325 /nfs/dbraw/zinc/49/93/25/230499325.db2.gz ZVRDLJIJRXOILE-HZPDHXFCSA-N 1 3 303.450 2.265 20 0 DEADHO C[C@H](NC(=O)N(C)CC(C)(C)C[NH3+])[C@@H](c1ccccc1)N(C)C ZINC000418161632 299067609 /nfs/dbraw/zinc/06/76/09/299067609.db2.gz CCJPUBCRAHZGOB-HOCLYGCPSA-N 1 3 320.481 2.304 20 0 DEADHO c1cc(CNCC2CC[NH+](C3CC3)CC2)c2c(c1)OCCO2 ZINC000278471383 214176067 /nfs/dbraw/zinc/17/60/67/214176067.db2.gz HGFFMBKOPMLVBL-UHFFFAOYSA-N 1 3 302.418 2.422 20 0 DEADHO O=CN1CCC([NH2+]CC2CCN(Cc3cccs3)CC2)CC1 ZINC000278620956 214280694 /nfs/dbraw/zinc/28/06/94/214280694.db2.gz GGXVVVDISJLBJV-UHFFFAOYSA-N 1 3 321.490 2.171 20 0 DEADHO COC(=O)c1cc(CNCC2CC[NH+](C3CC3)CC2)oc1C ZINC000278745376 214371785 /nfs/dbraw/zinc/37/17/85/214371785.db2.gz RNIYVHXNUBSXOR-UHFFFAOYSA-N 1 3 306.406 2.339 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000417823560 529612921 /nfs/dbraw/zinc/61/29/21/529612921.db2.gz AECQMBRLQUPDLP-USXIJHARSA-N 1 3 303.450 2.273 20 0 DEADHO CC[C@H](N[C@H](C)C[C@@H](C)[NH3+])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000422882440 529665103 /nfs/dbraw/zinc/66/51/03/529665103.db2.gz AUBWWUMTZBRZCB-ZAWLATJESA-N 1 3 319.493 2.381 20 0 DEADHO CCc1ccc([C@H](CNC(=O)N(C)CC[NH3+])N(CC)CC)cc1 ZINC000418216059 529723038 /nfs/dbraw/zinc/72/30/38/529723038.db2.gz NRLNPJSIEVONNU-KRWDZBQOSA-N 1 3 320.481 2.232 20 0 DEADHO CN(CCCN(C)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)Cc1ccco1 ZINC000418593042 529885673 /nfs/dbraw/zinc/88/56/73/529885673.db2.gz VMGLNWZOVXTPIS-LSDHHAIUSA-N 1 3 322.453 2.013 20 0 DEADHO CN(CC[C@H]1CCOC1=O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000246385192 529932178 /nfs/dbraw/zinc/93/21/78/529932178.db2.gz JIKYFAHMDAUMHB-MSOLQXFVSA-N 1 3 316.445 2.394 20 0 DEADHO CN(CC[C@H]1CCOC1=O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000246385192 529932179 /nfs/dbraw/zinc/93/21/79/529932179.db2.gz JIKYFAHMDAUMHB-MSOLQXFVSA-N 1 3 316.445 2.394 20 0 DEADHO C[NH2+]C[C@@H](C)CNC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000418391498 529982351 /nfs/dbraw/zinc/98/23/51/529982351.db2.gz PMDOKULFTOQRMO-OAHLLOKOSA-N 1 3 320.481 2.052 20 0 DEADHO Cc1ccc(Cl)cc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000121731532 539459822 /nfs/dbraw/zinc/45/98/22/539459822.db2.gz BDJUIVXKVPWNSU-UHFFFAOYSA-N 1 3 311.857 2.214 20 0 DEADHO C[C@H](NC(=O)NC1(C)CC[NH2+]CC1)[C@@H](c1ccccc1)N(C)C ZINC000418175446 299143666 /nfs/dbraw/zinc/14/36/66/299143666.db2.gz FVWWWDCKKNHYMD-HOCLYGCPSA-N 1 3 318.465 2.119 20 0 DEADHO CC(=O)Nc1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166485819 539608780 /nfs/dbraw/zinc/60/87/80/539608780.db2.gz QZYLOIRNSICYLS-ZWKOTPCHSA-N 1 3 301.434 2.404 20 0 DEADHO CC(=O)Nc1ccc(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166485819 539608784 /nfs/dbraw/zinc/60/87/84/539608784.db2.gz QZYLOIRNSICYLS-ZWKOTPCHSA-N 1 3 301.434 2.404 20 0 DEADHO C[C@@H]([NH2+]CC1(CO)CCC1)c1ccc(OCCN(C)C)cc1 ZINC000184530064 539668654 /nfs/dbraw/zinc/66/86/54/539668654.db2.gz HMXWSTORPCUTBD-OAHLLOKOSA-N 1 3 306.450 2.440 20 0 DEADHO [NH3+]C1(CC(=O)NC[C@@H]2CCCN2Cc2ccccc2)CCC1 ZINC000237998277 539752941 /nfs/dbraw/zinc/75/29/41/539752941.db2.gz SGURCALQIHABIS-INIZCTEOSA-N 1 3 301.434 2.039 20 0 DEADHO CC[N@@H+]1CC[C@H](N[C@H]2COc3c(cccc3OC)C2)[C@@H](C)C1 ZINC000247015833 539767965 /nfs/dbraw/zinc/76/79/65/539767965.db2.gz MOVDBPQFQRMQMA-IMJJTQAJSA-N 1 3 304.434 2.319 20 0 DEADHO CC[N@H+]1CC[C@H](N[C@H]2COc3c(cccc3OC)C2)[C@@H](C)C1 ZINC000247015833 539767971 /nfs/dbraw/zinc/76/79/71/539767971.db2.gz MOVDBPQFQRMQMA-IMJJTQAJSA-N 1 3 304.434 2.319 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)N1CCCCC1 ZINC000617350657 363105633 /nfs/dbraw/zinc/10/56/33/363105633.db2.gz AHJAPCFJPFNSMJ-JKSUJKDBSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)N1CCCCC1 ZINC000617350657 363105637 /nfs/dbraw/zinc/10/56/37/363105637.db2.gz AHJAPCFJPFNSMJ-JKSUJKDBSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000303144924 539860982 /nfs/dbraw/zinc/86/09/82/539860982.db2.gz NWLAVKQMVUSADP-ZWKOTPCHSA-N 1 3 317.477 2.388 20 0 DEADHO c1cncc(CCN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000174240410 198308873 /nfs/dbraw/zinc/30/88/73/198308873.db2.gz JGUMPEIVUAQEIF-UHFFFAOYSA-N 1 3 303.450 2.201 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)NCCC[NH+](C)C ZINC000073154346 191285679 /nfs/dbraw/zinc/28/56/79/191285679.db2.gz NGJTZPMXPAVJOH-UHFFFAOYSA-N 1 3 303.406 2.176 20 0 DEADHO CC(C)[C@H](N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236782847 202005681 /nfs/dbraw/zinc/00/56/81/202005681.db2.gz XEXFLJUCCMSKAD-UAGQMJEPSA-N 1 3 303.450 2.139 20 0 DEADHO CC(C)[C@H](N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236782847 202005684 /nfs/dbraw/zinc/00/56/84/202005684.db2.gz XEXFLJUCCMSKAD-UAGQMJEPSA-N 1 3 303.450 2.139 20 0 DEADHO C[C@H](CC[NH+](C)C)NC[C@H](O)COCc1ccccc1Cl ZINC000049557524 354361570 /nfs/dbraw/zinc/36/15/70/354361570.db2.gz UIEOBMYEPFAVDN-HIFRSBDPSA-N 1 3 314.857 2.147 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCC[NH+](C)C)C1 ZINC000054717909 354471723 /nfs/dbraw/zinc/47/17/23/354471723.db2.gz WQRMILPZOGGCDB-WBVHZDCISA-N 1 3 318.465 2.073 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N[C@H](CN2CCCC2)c2ccccc2)CC[NH2+]1 ZINC000262353832 291046010 /nfs/dbraw/zinc/04/60/10/291046010.db2.gz HRRVLLIYVZWVIM-RYQLBKOJSA-N 1 3 315.461 2.328 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN(C)CC[C@H]1C ZINC000355478373 283064282 /nfs/dbraw/zinc/06/42/82/283064282.db2.gz VORIGYOSGUCHLB-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN(C)CC[C@H]1C ZINC000355478373 283064284 /nfs/dbraw/zinc/06/42/84/283064284.db2.gz VORIGYOSGUCHLB-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO CN1CCC(O)(C[NH2+]Cc2cc(Br)cs2)CC1 ZINC000077450530 355205344 /nfs/dbraw/zinc/20/53/44/355205344.db2.gz FBFPUUBVCLCCPG-UHFFFAOYSA-N 1 3 319.268 2.057 20 0 DEADHO CC1CCN(CCNC(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000077714548 355223583 /nfs/dbraw/zinc/22/35/83/355223583.db2.gz GBKWNEMQTODYEX-UHFFFAOYSA-N 1 3 324.513 2.140 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C(C)(C)C[NH3+] ZINC000382679169 540123629 /nfs/dbraw/zinc/12/36/29/540123629.db2.gz AEIXKFQOWSTBME-OAHLLOKOSA-N 1 3 303.450 2.094 20 0 DEADHO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415977285 540162041 /nfs/dbraw/zinc/16/20/41/540162041.db2.gz SCEHSYNPZHFGSR-CYBMUJFWSA-N 1 3 320.437 2.020 20 0 DEADHO CCN1CC[C@H]([NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)[C@H](C)C1 ZINC000090523018 355562848 /nfs/dbraw/zinc/56/28/48/355562848.db2.gz ARCKGCZLPIRYJM-LULLPPNCSA-N 1 3 323.525 2.074 20 0 DEADHO CC[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cnn(C)c1 ZINC000090525887 355563436 /nfs/dbraw/zinc/56/34/36/355563436.db2.gz QAQRUHMWJDMNRH-KSZLIROESA-N 1 3 320.481 2.229 20 0 DEADHO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433904300 540177802 /nfs/dbraw/zinc/17/78/02/540177802.db2.gz QQTAJKAWVGEWFQ-HOCLYGCPSA-N 1 3 310.486 2.033 20 0 DEADHO CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])[C@H]1c1cccs1 ZINC000449359065 540187687 /nfs/dbraw/zinc/18/76/87/540187687.db2.gz GCFJCWGKZNNELG-FQLMCAECSA-N 1 3 321.490 2.375 20 0 DEADHO COC[C@]1(C)CCN(CC[C@@H](C)[N@@H+]2CC[C@@](C)(COC)C2)C1 ZINC000451203562 540189502 /nfs/dbraw/zinc/18/95/02/540189502.db2.gz QGIUODWYFRZWRE-KZNAEPCWSA-N 1 3 312.498 2.482 20 0 DEADHO COC[C@]1(C)CCN(CC[C@@H](C)[N@H+]2CC[C@@](C)(COC)C2)C1 ZINC000451203562 540189505 /nfs/dbraw/zinc/18/95/05/540189505.db2.gz QGIUODWYFRZWRE-KZNAEPCWSA-N 1 3 312.498 2.482 20 0 DEADHO COC[C@]1(C)CCN([C@H](C)CC[N@@H+]2CC[C@@](C)(COC)C2)C1 ZINC000451203562 540189508 /nfs/dbraw/zinc/18/95/08/540189508.db2.gz QGIUODWYFRZWRE-KZNAEPCWSA-N 1 3 312.498 2.482 20 0 DEADHO COC[C@]1(C)CCN([C@H](C)CC[N@H+]2CC[C@@](C)(COC)C2)C1 ZINC000451203562 540189511 /nfs/dbraw/zinc/18/95/11/540189511.db2.gz QGIUODWYFRZWRE-KZNAEPCWSA-N 1 3 312.498 2.482 20 0 DEADHO CCOc1ccccc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000119731373 355788080 /nfs/dbraw/zinc/78/80/80/355788080.db2.gz SYZJTKIXDGRNDU-UHFFFAOYSA-N 1 3 322.453 2.042 20 0 DEADHO c1ccc(CCN2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000143689195 355900232 /nfs/dbraw/zinc/90/02/32/355900232.db2.gz XJPGEHPKFSUYPY-IBGZPJMESA-N 1 3 301.478 2.236 20 0 DEADHO C[C@H]1C[C@H](NCCc2nnc(-c3ccccc3)o2)CC[N@@H+]1C ZINC000181562109 356086336 /nfs/dbraw/zinc/08/63/36/356086336.db2.gz KPKFDJFRBRXQCM-DZGCQCFKSA-N 1 3 300.406 2.351 20 0 DEADHO C[C@H]1C[C@H](NCCc2nnc(-c3ccccc3)o2)CC[N@H+]1C ZINC000181562109 356086338 /nfs/dbraw/zinc/08/63/38/356086338.db2.gz KPKFDJFRBRXQCM-DZGCQCFKSA-N 1 3 300.406 2.351 20 0 DEADHO C[C@H](CCNC(=O)NC1CCN(C2CC2)CC1)[NH+]1CCCCC1 ZINC000184777235 356197957 /nfs/dbraw/zinc/19/79/57/356197957.db2.gz SFDOJQDWPRGJTG-OAHLLOKOSA-N 1 3 322.497 2.177 20 0 DEADHO CN1CC[C@H]2CCN(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)[C@H]2C1 ZINC000182175844 283146952 /nfs/dbraw/zinc/14/69/52/283146952.db2.gz OHBZRAQOQBDXJY-ZFWWWQNUSA-N 1 3 322.497 2.031 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H](C)N(C)Cc1ccccc1)[C@@H](C)[NH3+] ZINC000399387844 283151917 /nfs/dbraw/zinc/15/19/17/283151917.db2.gz REJCLVXLMCBYGN-UXLLHSPISA-N 1 3 305.466 2.243 20 0 DEADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CNC2CC2)C1 ZINC000237671582 356299722 /nfs/dbraw/zinc/29/97/22/356299722.db2.gz WFASFVCRJGVGLF-HNNXBMFYSA-N 1 3 315.461 2.287 20 0 DEADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CNC2CC2)C1 ZINC000237671582 356299725 /nfs/dbraw/zinc/29/97/25/356299725.db2.gz WFASFVCRJGVGLF-HNNXBMFYSA-N 1 3 315.461 2.287 20 0 DEADHO Cc1cccc(OC[C@@H](O)C[NH2+]C[C@H](C)CN2CCCC2)c1 ZINC000315053215 356421643 /nfs/dbraw/zinc/42/16/43/356421643.db2.gz PRCHEHWFEMOTAF-IRXDYDNUSA-N 1 3 306.450 2.056 20 0 DEADHO CN(C)CCOc1ccc(-c2noc([C@H]3CC[N@H+](C)C3)n2)cc1 ZINC000349993966 356499336 /nfs/dbraw/zinc/49/93/36/356499336.db2.gz OVBPDFXRRZWVQJ-AWEZNQCLSA-N 1 3 316.405 2.096 20 0 DEADHO CN(C)CCOc1ccc(-c2noc([C@H]3CC[N@@H+](C)C3)n2)cc1 ZINC000349993966 356499343 /nfs/dbraw/zinc/49/93/43/356499343.db2.gz OVBPDFXRRZWVQJ-AWEZNQCLSA-N 1 3 316.405 2.096 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCCN(C(C)C)CC1 ZINC000360785643 283174988 /nfs/dbraw/zinc/17/49/88/283174988.db2.gz IGHNAYVQSCQJBY-MRXNPFEDSA-N 1 3 312.502 2.233 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCCN(C(C)C)CC1 ZINC000360785643 283174993 /nfs/dbraw/zinc/17/49/93/283174993.db2.gz IGHNAYVQSCQJBY-MRXNPFEDSA-N 1 3 312.502 2.233 20 0 DEADHO CCC[NH2+]CCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000236858820 202040818 /nfs/dbraw/zinc/04/08/18/202040818.db2.gz BRPIXZPOUZKZOV-UHFFFAOYSA-N 1 3 303.406 2.224 20 0 DEADHO CCN(CC)[C@H](CNC(=O)C1CC[NH2+]CC1)c1ccsc1 ZINC000236874212 202046431 /nfs/dbraw/zinc/04/64/31/202046431.db2.gz DXTOTEZMSWGXAX-OAHLLOKOSA-N 1 3 309.479 2.247 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000360804648 283181701 /nfs/dbraw/zinc/18/17/01/283181701.db2.gz YFIFKFVCFRNDIX-OWCLPIDISA-N 1 3 312.502 2.088 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000360804648 283181704 /nfs/dbraw/zinc/18/17/04/283181704.db2.gz YFIFKFVCFRNDIX-OWCLPIDISA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000423770730 283200192 /nfs/dbraw/zinc/20/01/92/283200192.db2.gz IEUSSPUFCSEYOV-ABAIWWIYSA-N 1 3 309.841 2.199 20 0 DEADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000423770164 283199064 /nfs/dbraw/zinc/19/90/64/283199064.db2.gz ZOSFZHWDCONUFE-AZYDHVBKSA-N 1 3 321.509 2.329 20 0 DEADHO CCOC[C@@H](O)C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000381981925 356673967 /nfs/dbraw/zinc/67/39/67/356673967.db2.gz MZURMVBQIPWZCS-OALUTQOASA-N 1 3 320.477 2.276 20 0 DEADHO CCOC[C@@H](O)CNC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000381981925 356673969 /nfs/dbraw/zinc/67/39/69/356673969.db2.gz MZURMVBQIPWZCS-OALUTQOASA-N 1 3 320.477 2.276 20 0 DEADHO CCOC[C@@H](O)CNC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000381981925 356673973 /nfs/dbraw/zinc/67/39/73/356673973.db2.gz MZURMVBQIPWZCS-OALUTQOASA-N 1 3 320.477 2.276 20 0 DEADHO C[NH+](C)C1CCN(c2ccc(NC(=O)C(C)(C)N)cc2F)CC1 ZINC000237084201 202149302 /nfs/dbraw/zinc/14/93/02/202149302.db2.gz CDYBFIOOTPEWOU-UHFFFAOYSA-N 1 3 322.428 2.032 20 0 DEADHO C[C@]1(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCC[NH2+]1 ZINC000387139132 356702352 /nfs/dbraw/zinc/70/23/52/356702352.db2.gz COYCOCDZWWPBKZ-FUHWJXTLSA-N 1 3 301.434 2.082 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618661711 363564152 /nfs/dbraw/zinc/56/41/52/363564152.db2.gz AGLROVHQPHWYKW-BZUAXINKSA-N 1 3 307.482 2.382 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618661711 363564157 /nfs/dbraw/zinc/56/41/57/363564157.db2.gz AGLROVHQPHWYKW-BZUAXINKSA-N 1 3 307.482 2.382 20 0 DEADHO Cc1ccc([C@H](CNC(=O)c2ccc(C[NH3+])cc2)N(C)C)cc1 ZINC000237151000 202169063 /nfs/dbraw/zinc/16/90/63/202169063.db2.gz MTKAUUCSCWHJNC-SFHVURJKSA-N 1 3 311.429 2.486 20 0 DEADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000578052799 356753755 /nfs/dbraw/zinc/75/37/55/356753755.db2.gz FIBVTQKEZZLJTH-CVEARBPZSA-N 1 3 322.497 2.081 20 0 DEADHO C[NH+]1CCC(O)(CN[C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000578373305 356805428 /nfs/dbraw/zinc/80/54/28/356805428.db2.gz LBFPOPPHVFFQOP-HNNXBMFYSA-N 1 3 306.454 2.077 20 0 DEADHO C[NH+]1CCC(O)(CN[C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000578373306 356805805 /nfs/dbraw/zinc/80/58/05/356805805.db2.gz LBFPOPPHVFFQOP-OAHLLOKOSA-N 1 3 306.454 2.077 20 0 DEADHO C[NH+](C)[C@H](CNC(=O)[C@@H](N)Cc1ccccc1)C1CCCCC1 ZINC000237193918 202185320 /nfs/dbraw/zinc/18/53/20/202185320.db2.gz VTTRWUGPSPLLRS-ZWKOTPCHSA-N 1 3 317.477 2.183 20 0 DEADHO C[NH2+]CCC(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000579004466 356906350 /nfs/dbraw/zinc/90/63/50/356906350.db2.gz CTYHNUSNOLZSKO-UHFFFAOYSA-N 1 3 318.465 2.073 20 0 DEADHO C[NH+](C)Cc1cccc(CNC[C@@H](O)COCc2ccco2)c1 ZINC000581483488 357194934 /nfs/dbraw/zinc/19/49/34/357194934.db2.gz QBRXKDSYKQSAFB-QGZVFWFLSA-N 1 3 318.417 2.009 20 0 DEADHO CN(C)Cc1cccc(C[NH2+]C[C@@H](O)COCc2ccco2)c1 ZINC000581483488 357194940 /nfs/dbraw/zinc/19/49/40/357194940.db2.gz QBRXKDSYKQSAFB-QGZVFWFLSA-N 1 3 318.417 2.009 20 0 DEADHO COCCC[NH+]1CCC(NC[C@H](O)[C@H](C)c2ccccc2)CC1 ZINC000581543777 357204375 /nfs/dbraw/zinc/20/43/75/357204375.db2.gz VBENZEAZWNWIKX-APWZRJJASA-N 1 3 320.477 2.242 20 0 DEADHO [NH3+]CCC[C@@H](NC(=O)[C@@H]1CNCc2ccccc21)c1ccccc1 ZINC000581547492 357204835 /nfs/dbraw/zinc/20/48/35/357204835.db2.gz FMNQQIMYQUETIX-RTBURBONSA-N 1 3 323.440 2.470 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000581640171 357219393 /nfs/dbraw/zinc/21/93/93/357219393.db2.gz DAPAVMPWOOGCGG-QLFBSQMISA-N 1 3 310.486 2.031 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000581640171 357219399 /nfs/dbraw/zinc/21/93/99/357219399.db2.gz DAPAVMPWOOGCGG-QLFBSQMISA-N 1 3 310.486 2.031 20 0 DEADHO CC(C)N1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000582012869 357286193 /nfs/dbraw/zinc/28/61/93/357286193.db2.gz UGEGYHVQGNIUKY-SFHVURJKSA-N 1 3 317.477 2.393 20 0 DEADHO CN1CCN(CC[NH2+]Cc2cnc(C3CC3)s2)CC1(C)C ZINC000584758857 357302270 /nfs/dbraw/zinc/30/22/70/357302270.db2.gz DHWOKTFHXPUOME-UHFFFAOYSA-N 1 3 308.495 2.136 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CNCc2ccccc21 ZINC000584837988 357319167 /nfs/dbraw/zinc/31/91/67/357319167.db2.gz QABJPAIANVQLKN-YOEHRIQHSA-N 1 3 303.450 2.110 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CNCc2ccccc21 ZINC000584837988 357319170 /nfs/dbraw/zinc/31/91/70/357319170.db2.gz QABJPAIANVQLKN-YOEHRIQHSA-N 1 3 303.450 2.110 20 0 DEADHO CC[NH+]1CCC(CNC(=O)N[C@H](C)CN2CCC(C)CC2)CC1 ZINC000660837027 540311571 /nfs/dbraw/zinc/31/15/71/540311571.db2.gz GZFOBYVJCOICPV-MRXNPFEDSA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCN2C(C)(C)C)C1 ZINC000661396396 540318094 /nfs/dbraw/zinc/31/80/94/540318094.db2.gz AHOJPMGXTJJFFH-JKSUJKDBSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCN2C(C)(C)C)C1 ZINC000661396396 540318095 /nfs/dbraw/zinc/31/80/95/540318095.db2.gz AHOJPMGXTJJFFH-JKSUJKDBSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000661404857 540319388 /nfs/dbraw/zinc/31/93/88/540319388.db2.gz SBPPWGTWEAKTEF-PMPSAXMXSA-N 1 3 322.497 2.127 20 0 DEADHO CC(C)[N@@H+]1CCCN(C(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662823257 540334834 /nfs/dbraw/zinc/33/48/34/540334834.db2.gz RRMSMCJKOPLEHT-QGZVFWFLSA-N 1 3 301.434 2.164 20 0 DEADHO CC(C)[N@H+]1CCCN(C(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662823257 540334838 /nfs/dbraw/zinc/33/48/38/540334838.db2.gz RRMSMCJKOPLEHT-QGZVFWFLSA-N 1 3 301.434 2.164 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCc1cn(C)c2ccccc12 ZINC000665265285 540348783 /nfs/dbraw/zinc/34/87/83/540348783.db2.gz UKEUZZREHGHWNB-JQFCIGGWSA-N 1 3 301.434 2.063 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)C2CCN(C3CC3)CC2)C1 ZINC000494283430 283316972 /nfs/dbraw/zinc/31/69/72/283316972.db2.gz WIEWIKFSRRILHK-MRXNPFEDSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C2CCN(C3CC3)CC2)C1 ZINC000494283430 283316978 /nfs/dbraw/zinc/31/69/78/283316978.db2.gz WIEWIKFSRRILHK-MRXNPFEDSA-N 1 3 321.509 2.489 20 0 DEADHO COC(=O)COc1ccc(CN2CCC[C@@H](C)[C@H]2CC[NH3+])cc1 ZINC000593317219 358053122 /nfs/dbraw/zinc/05/31/22/358053122.db2.gz SJADISXSCZXCTJ-RHSMWYFYSA-N 1 3 320.433 2.188 20 0 DEADHO CCCN1CC[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000666926224 540364507 /nfs/dbraw/zinc/36/45/07/540364507.db2.gz LYQJWXWNUVSDRC-IRXDYDNUSA-N 1 3 322.497 2.131 20 0 DEADHO Fc1ccc(-n2cc(CN[C@H]3CC34CC[NH2+]CC4)cn2)cc1 ZINC000666951986 540369063 /nfs/dbraw/zinc/36/90/63/540369063.db2.gz BBHCYAFQEJDHSQ-INIZCTEOSA-N 1 3 300.381 2.243 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)CN1CCCCC1 ZINC000350475828 283335986 /nfs/dbraw/zinc/33/59/86/283335986.db2.gz DDBJXZQUPJELJZ-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)CN1CCCCC1 ZINC000350475828 283335988 /nfs/dbraw/zinc/33/59/88/283335988.db2.gz DDBJXZQUPJELJZ-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO NCc1cn([C@H]2CCC[N@H+](Cc3cccc4cnccc43)C2)nn1 ZINC000667040137 540383923 /nfs/dbraw/zinc/38/39/23/540383923.db2.gz YJTCQCLXVXGFNH-KRWDZBQOSA-N 1 3 322.416 2.122 20 0 DEADHO NCc1cn([C@H]2CCC[N@@H+](Cc3cccc4cnccc43)C2)nn1 ZINC000667040137 540383927 /nfs/dbraw/zinc/38/39/27/540383927.db2.gz YJTCQCLXVXGFNH-KRWDZBQOSA-N 1 3 322.416 2.122 20 0 DEADHO CC[N@H+](CCCNC(=O)[C@@H](N)CCSC)C1CCCCC1 ZINC000593913982 358170874 /nfs/dbraw/zinc/17/08/74/358170874.db2.gz DLHXLDRQRXUTDA-HNNXBMFYSA-N 1 3 315.527 2.228 20 0 DEADHO CC[N@@H+](CCCNC(=O)[C@@H](N)CCSC)C1CCCCC1 ZINC000593913982 358170878 /nfs/dbraw/zinc/17/08/78/358170878.db2.gz DLHXLDRQRXUTDA-HNNXBMFYSA-N 1 3 315.527 2.228 20 0 DEADHO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ccnc3ccccc32)CC1 ZINC000371338839 283350179 /nfs/dbraw/zinc/35/01/79/283350179.db2.gz IVRVDTJQDOVODJ-GOSISDBHSA-N 1 3 324.428 2.153 20 0 DEADHO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2ccnc3ccccc32)CC1 ZINC000371338839 283350181 /nfs/dbraw/zinc/35/01/81/283350181.db2.gz IVRVDTJQDOVODJ-GOSISDBHSA-N 1 3 324.428 2.153 20 0 DEADHO C[C@H](CNC(=O)C[C@@H](N)c1ccccc1)C[NH+]1CCCCC1 ZINC000237412708 202258505 /nfs/dbraw/zinc/25/85/05/202258505.db2.gz LLZHRZNJJJWWST-NVXWUHKLSA-N 1 3 303.450 2.315 20 0 DEADHO CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@@]3(C)CC[NH2+]C3)C[C@H]2C1 ZINC000496083187 283360623 /nfs/dbraw/zinc/36/06/23/283360623.db2.gz HBVNIVGKAFKVDR-VKJFTORMSA-N 1 3 323.481 2.175 20 0 DEADHO CCC(CC)[C@@H](CNC[C@H]1CNc2ccnn2C1)[NH+]1CCCC1 ZINC000595138213 358392717 /nfs/dbraw/zinc/39/27/17/358392717.db2.gz BJPOUPVYQXXXOG-DOTOQJQBSA-N 1 3 319.497 2.415 20 0 DEADHO C[C@H]1C[C@H]1N1CCN(C(=O)CC[N@@H+]2CCCC[C@@H]2C)C[C@@H](C)C1 ZINC000346202315 291156570 /nfs/dbraw/zinc/15/65/70/291156570.db2.gz UBTDYRHDEBXDOO-XLAORIBOSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@H]1C[C@H]1N1CCN(C(=O)CC[N@H+]2CCCC[C@@H]2C)C[C@@H](C)C1 ZINC000346202315 291156572 /nfs/dbraw/zinc/15/65/72/291156572.db2.gz UBTDYRHDEBXDOO-XLAORIBOSA-N 1 3 321.509 2.440 20 0 DEADHO CCC[NH2+]CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000416844052 283388314 /nfs/dbraw/zinc/38/83/14/283388314.db2.gz PLFFQCIXGUEOJY-AWEZNQCLSA-N 1 3 324.494 2.184 20 0 DEADHO CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000186747415 200002949 /nfs/dbraw/zinc/00/29/49/200002949.db2.gz MKDNOMZEBZZRMH-SFHVURJKSA-N 1 3 315.461 2.204 20 0 DEADHO CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000186747415 200002951 /nfs/dbraw/zinc/00/29/51/200002951.db2.gz MKDNOMZEBZZRMH-SFHVURJKSA-N 1 3 315.461 2.204 20 0 DEADHO OC1CCC([NH2+]Cc2ccccc2CN2CCC(O)CC2)CC1 ZINC000428249233 237113985 /nfs/dbraw/zinc/11/39/85/237113985.db2.gz NPQWFPWCUCEQOT-UHFFFAOYSA-N 1 3 318.461 2.036 20 0 DEADHO C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc3c2CCNC3)CC[N@@H+]1C ZINC000667753097 540521147 /nfs/dbraw/zinc/52/11/47/540521147.db2.gz HMTWWTMVVQJOKK-UKRRQHHQSA-N 1 3 316.449 2.279 20 0 DEADHO C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc3c2CCNC3)CC[N@H+]1C ZINC000667753097 540521148 /nfs/dbraw/zinc/52/11/48/540521148.db2.gz HMTWWTMVVQJOKK-UKRRQHHQSA-N 1 3 316.449 2.279 20 0 DEADHO CC1CC[NH+](CCCNC(=O)Nc2cccc(CN)c2)CC1 ZINC000667732578 540515530 /nfs/dbraw/zinc/51/55/30/540515530.db2.gz NTSJSTOZQIZQSB-UHFFFAOYSA-N 1 3 304.438 2.389 20 0 DEADHO C[C@@]1(C(=O)NCC2CCN(Cc3cccs3)CC2)CC[NH2+]C1 ZINC000237577354 202290036 /nfs/dbraw/zinc/29/00/36/202290036.db2.gz PHNARAQGRQGBOS-QGZVFWFLSA-N 1 3 321.490 2.076 20 0 DEADHO C[C@@H](CNC(=O)[C@@H]1CC12CC[NH2+]CC2)N(C)Cc1ccccc1 ZINC000237567910 202287291 /nfs/dbraw/zinc/28/72/91/202287291.db2.gz QGTBHCPZDCFUGR-RDJZCZTQSA-N 1 3 315.461 2.013 20 0 DEADHO c1cc(CN2CCC(C[NH2+][C@@H]3CO[C@@H](C4CC4)C3)CC2)ccn1 ZINC000668512064 540676775 /nfs/dbraw/zinc/67/67/75/540676775.db2.gz JFTBWOHGIVYGTO-RBUKOAKNSA-N 1 3 315.461 2.451 20 0 DEADHO CCN(C)C(=O)[C@H](C)N[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000189397965 200394380 /nfs/dbraw/zinc/39/43/80/200394380.db2.gz YDCSQVFFNKKTNA-CABCVRRESA-N 1 3 321.465 2.144 20 0 DEADHO N[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CCC1 ZINC000423403029 283544082 /nfs/dbraw/zinc/54/40/82/283544082.db2.gz XYQHGCIQPZFYSP-DOTOQJQBSA-N 1 3 307.482 2.228 20 0 DEADHO C[C@H](C[NH+]1CCC(N2CC[C@@H](O)C2)CC1)c1ccc(F)cc1 ZINC000668739166 540721841 /nfs/dbraw/zinc/72/18/41/540721841.db2.gz JROJPVIATXVSJV-RDTXWAMCSA-N 1 3 306.425 2.460 20 0 DEADHO [NH3+]CC[C@@H]1CCCN([C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000443061938 238102414 /nfs/dbraw/zinc/10/24/14/238102414.db2.gz SNMKJIWHWVLKCR-YOEHRIQHSA-N 1 3 301.434 2.067 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)C1CC[NH+](C)CC1)N1CCCCC1 ZINC000603315811 360789394 /nfs/dbraw/zinc/78/93/94/360789394.db2.gz BMVAIOWDUPAHHI-NVXWUHKLSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)N[C@@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000669418931 540829615 /nfs/dbraw/zinc/82/96/15/540829615.db2.gz ILGGHANPMWQQJM-IAGOWNOFSA-N 1 3 318.465 2.039 20 0 DEADHO [NH3+]CCCN(CC1CCCC1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000669491429 540843813 /nfs/dbraw/zinc/84/38/13/540843813.db2.gz YYBQEEWUPKGRQB-KRWDZBQOSA-N 1 3 322.497 2.021 20 0 DEADHO CC(C)([NH3+])CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669483765 540841863 /nfs/dbraw/zinc/84/18/63/540841863.db2.gz LRYIUPLMZCRXCI-MRXNPFEDSA-N 1 3 318.465 2.250 20 0 DEADHO O=C(c1ccc2c(c1)CNC2)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669519431 540851043 /nfs/dbraw/zinc/85/10/43/540851043.db2.gz ARSGSQWLYAYCAQ-RDJZCZTQSA-N 1 3 313.445 2.142 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000604748804 360929784 /nfs/dbraw/zinc/92/97/84/360929784.db2.gz YUTCLZAWASTANW-WBVHZDCISA-N 1 3 315.461 2.280 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000604748804 360929789 /nfs/dbraw/zinc/92/97/89/360929789.db2.gz YUTCLZAWASTANW-WBVHZDCISA-N 1 3 315.461 2.280 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@@H]1CCCC[NH2+]1)c1ccco1 ZINC000669584152 540869079 /nfs/dbraw/zinc/86/90/79/540869079.db2.gz SMLSZFWUTJTPOO-KKUMJFAQSA-N 1 3 322.453 2.150 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2C3CCCC2CCC3)CC1 ZINC000608564866 361233284 /nfs/dbraw/zinc/23/32/84/361233284.db2.gz FQFDRAOXXICXEE-UHFFFAOYSA-N 1 3 307.482 2.382 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000672942699 541076716 /nfs/dbraw/zinc/07/67/16/541076716.db2.gz MFXBWXCLUQJWIR-VPSFDDGASA-N 1 3 322.497 2.127 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000672942699 541076718 /nfs/dbraw/zinc/07/67/18/541076718.db2.gz MFXBWXCLUQJWIR-VPSFDDGASA-N 1 3 322.497 2.127 20 0 DEADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@H]2COCCO2)C3)cc1 ZINC000447534306 239007509 /nfs/dbraw/zinc/00/75/09/239007509.db2.gz WFJRLBZNCHFVCW-RDGPPVDQSA-N 1 3 316.445 2.187 20 0 DEADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@H]2COCCO2)C3)cc1 ZINC000447534306 239007517 /nfs/dbraw/zinc/00/75/17/239007517.db2.gz WFJRLBZNCHFVCW-RDGPPVDQSA-N 1 3 316.445 2.187 20 0 DEADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000673749769 541139947 /nfs/dbraw/zinc/13/99/47/541139947.db2.gz JWNSZWXDIBBIRM-SJLPKXTDSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000673749769 541139951 /nfs/dbraw/zinc/13/99/51/541139951.db2.gz JWNSZWXDIBBIRM-SJLPKXTDSA-N 1 3 315.461 2.061 20 0 DEADHO CCO[C@H](CC[NH+](C)C)CNCc1nn(C)c2ccccc12 ZINC000674711244 541238645 /nfs/dbraw/zinc/23/86/45/541238645.db2.gz XRTQUCGNFZBAEU-CQSZACIVSA-N 1 3 304.438 2.020 20 0 DEADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1CCCCN1CC ZINC000675187935 541298455 /nfs/dbraw/zinc/29/84/55/541298455.db2.gz GBLAEGZTJMZNNC-CVEARBPZSA-N 1 3 310.486 2.034 20 0 DEADHO CC[NH+](CC)C[C@H](C)NC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000622111590 364667481 /nfs/dbraw/zinc/66/74/81/364667481.db2.gz QRQSXIVTXXQDES-HNNXBMFYSA-N 1 3 312.502 2.233 20 0 DEADHO CN(CCCNCc1csc(C(C)(C)C)n1)CC[NH+](C)C ZINC000623087956 364881406 /nfs/dbraw/zinc/88/14/06/364881406.db2.gz QLCPDSDKZPDEDF-UHFFFAOYSA-N 1 3 312.527 2.414 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000449098954 240046132 /nfs/dbraw/zinc/04/61/32/240046132.db2.gz LLUVKCJKUSNMSR-JJRVBVJISA-N 1 3 301.434 2.079 20 0 DEADHO CC(C)CN1CCC([NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000675881967 541390984 /nfs/dbraw/zinc/39/09/84/541390984.db2.gz OGBSHOBIADAESJ-IBGZPJMESA-N 1 3 323.525 2.340 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624377088 365401989 /nfs/dbraw/zinc/40/19/89/365401989.db2.gz KEUGNIVTYWPVRX-SJORKVTESA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624377088 365401997 /nfs/dbraw/zinc/40/19/97/365401997.db2.gz KEUGNIVTYWPVRX-SJORKVTESA-N 1 3 324.513 2.138 20 0 DEADHO N[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c2ccccc21 ZINC000629534999 367240617 /nfs/dbraw/zinc/24/06/17/367240617.db2.gz BTFFNLPMGWDEQH-LHHMISFZSA-N 1 3 311.385 2.352 20 0 DEADHO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000629545480 367243427 /nfs/dbraw/zinc/24/34/27/367243427.db2.gz BQRKOLSPWBMLTN-XBVQOTNRSA-N 1 3 305.470 2.363 20 0 DEADHO CC[C@@H](C[NH2+]C[C@@H](O)CN1CCCC1)Oc1cccc(C)c1 ZINC000629563549 367253350 /nfs/dbraw/zinc/25/33/50/367253350.db2.gz GEGAAWLFECKVCL-SJORKVTESA-N 1 3 306.450 2.199 20 0 DEADHO CC[C@H](C[NH2+]C[C@H](O)CN1CCCC1)Oc1cccc(C)c1 ZINC000629563546 367253455 /nfs/dbraw/zinc/25/34/55/367253455.db2.gz GEGAAWLFECKVCL-DLBZAZTESA-N 1 3 306.450 2.199 20 0 DEADHO CN(CCOCC[NH3+])CCOc1ccc(Cl)cc1Cl ZINC000629577102 367258240 /nfs/dbraw/zinc/25/82/40/367258240.db2.gz YRKVBUWUHROWMQ-UHFFFAOYSA-N 1 3 307.221 2.279 20 0 DEADHO COCc1ccc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)o1 ZINC000629650200 367286168 /nfs/dbraw/zinc/28/61/68/367286168.db2.gz QOWHGOVJJBNVAO-GRDNDAEWSA-N 1 3 308.422 2.144 20 0 DEADHO CN1CCN(c2cc[nH+]cc2NCc2[nH]nc3ccccc32)CC1 ZINC000677150841 541546952 /nfs/dbraw/zinc/54/69/52/541546952.db2.gz USQPJCPKMBCAAR-UHFFFAOYSA-N 1 3 322.416 2.322 20 0 DEADHO C[NH+](C)C1CCN(CCN[C@@H]2CCCc3ncccc32)CC1 ZINC000631586040 368298576 /nfs/dbraw/zinc/29/85/76/368298576.db2.gz WZCXEXKUZWXWOF-GOSISDBHSA-N 1 3 302.466 2.075 20 0 DEADHO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000451504982 243038131 /nfs/dbraw/zinc/03/81/31/243038131.db2.gz UCXJXWUJURBVHG-BRWVUGGUSA-N 1 3 311.514 2.052 20 0 DEADHO CC(C)(C)c1cccc(C[N@@H+]2CC[C@H](n3cc(CN)nn3)C2)c1 ZINC000631844286 368420493 /nfs/dbraw/zinc/42/04/93/368420493.db2.gz GYMCYSYOPBONKS-KRWDZBQOSA-N 1 3 313.449 2.481 20 0 DEADHO CC(C)(C)c1cccc(C[N@H+]2CC[C@H](n3cc(CN)nn3)C2)c1 ZINC000631844286 368420495 /nfs/dbraw/zinc/42/04/95/368420495.db2.gz GYMCYSYOPBONKS-KRWDZBQOSA-N 1 3 313.449 2.481 20 0 DEADHO CN(C)CCOc1ccc(CN2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000678264639 541702231 /nfs/dbraw/zinc/70/22/31/541702231.db2.gz PIUFHCSBUNEOJG-KRWDZBQOSA-N 1 3 305.466 2.011 20 0 DEADHO CCC[C@@](C)([NH3+])C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000261533180 203074814 /nfs/dbraw/zinc/07/48/14/203074814.db2.gz AWDLSLFGCHNEDU-GOSISDBHSA-N 1 3 303.450 2.285 20 0 DEADHO O=C(CC[C@H]1CCC[NH2+]1)NC1CCN(Cc2ccccc2)CC1 ZINC000261533435 203075336 /nfs/dbraw/zinc/07/53/36/203075336.db2.gz AZAGJFOESKGLCR-QGZVFWFLSA-N 1 3 315.461 2.299 20 0 DEADHO O=C(CC[C@H]1CC[NH2+]C1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000261820072 203125218 /nfs/dbraw/zinc/12/52/18/203125218.db2.gz HZVOYKTUNFPBJM-GJZGRUSLSA-N 1 3 321.490 2.391 20 0 DEADHO CC(C)[NH+]1CCC(N(C)C(=O)[C@@H](CN)c2ccccc2)CC1 ZINC000261841897 203131396 /nfs/dbraw/zinc/13/13/96/203131396.db2.gz CSEBPTNMJRAZGI-KRWDZBQOSA-N 1 3 303.450 2.060 20 0 DEADHO C[C@H](C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)[C@H](N)c1ccccc1 ZINC000262328618 203264616 /nfs/dbraw/zinc/26/46/16/203264616.db2.gz SCSLRVBMDKINTQ-OHFALNGGSA-N 1 3 301.434 2.018 20 0 DEADHO C[C@H](C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C)[C@H](N)c1ccccc1 ZINC000262328618 203264618 /nfs/dbraw/zinc/26/46/18/203264618.db2.gz SCSLRVBMDKINTQ-OHFALNGGSA-N 1 3 301.434 2.018 20 0 DEADHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCCN1 ZINC000262659858 203368292 /nfs/dbraw/zinc/36/82/92/203368292.db2.gz WXLTULHOYBCMPG-QGZVFWFLSA-N 1 3 301.434 2.041 20 0 DEADHO C[C@H]([NH2+]CCC1(CO)CC1)c1ccc(OCCN(C)C)cc1 ZINC000453328838 245077101 /nfs/dbraw/zinc/07/71/01/245077101.db2.gz COEBLONQOFCHFW-HNNXBMFYSA-N 1 3 306.450 2.440 20 0 DEADHO C[C@@H](CCCCO)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000679346804 541842062 /nfs/dbraw/zinc/84/20/62/541842062.db2.gz MCOSBOMBPKSCFJ-INIZCTEOSA-N 1 3 320.477 2.284 20 0 DEADHO C[C@H](CCc1ccc(O)cc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282476873 217022694 /nfs/dbraw/zinc/02/26/94/217022694.db2.gz WRCIWJMTYHXHEQ-MRXNPFEDSA-N 1 3 319.493 2.329 20 0 DEADHO CO[C@H](Cc1ccc(F)cc1)CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000530218847 284376195 /nfs/dbraw/zinc/37/61/95/284376195.db2.gz NRONOVLRUCLKPY-DZOHQFGASA-N 1 3 306.425 2.442 20 0 DEADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)C[NH2+]C1CC1 ZINC000154641448 291591678 /nfs/dbraw/zinc/59/16/78/291591678.db2.gz WXNQSGGVYHOYGC-UHFFFAOYSA-N 1 3 319.474 2.234 20 0 DEADHO CN(C)C/C=C\C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000492369939 249049322 /nfs/dbraw/zinc/04/93/22/249049322.db2.gz WZDFAVOSEQFZSH-YVMONPNESA-N 1 3 301.434 2.380 20 0 DEADHO CN(C)C/C=C\C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000492369939 249049323 /nfs/dbraw/zinc/04/93/23/249049323.db2.gz WZDFAVOSEQFZSH-YVMONPNESA-N 1 3 301.434 2.380 20 0 DEADHO CN(C)C/C=C\C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000493269478 249265632 /nfs/dbraw/zinc/26/56/32/249265632.db2.gz WFWMKMPTIPZMGE-YVACAVLKSA-N 1 3 323.868 2.219 20 0 DEADHO C[C@@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC[C@H]1O ZINC000681752803 542201710 /nfs/dbraw/zinc/20/17/10/542201710.db2.gz HBWHAGIHQISTDA-VQIMIIECSA-N 1 3 318.461 2.364 20 0 DEADHO CC(C)[C@@H](CNC(=O)NC1CCN(C2CC2)CC1)[NH+]1CCCC1 ZINC000105100574 194073444 /nfs/dbraw/zinc/07/34/44/194073444.db2.gz WARNIWOIVVEQOH-QGZVFWFLSA-N 1 3 322.497 2.033 20 0 DEADHO CN1CCN(CC[C@@H]2CCC[N@@H+]2C)C[C@H]1Cc1ccccc1 ZINC000284739190 218155446 /nfs/dbraw/zinc/15/54/46/218155446.db2.gz KPXKZPBGSRIMJB-RBUKOAKNSA-N 1 3 301.478 2.329 20 0 DEADHO CN1CCN(CC[C@@H]2CCC[N@H+]2C)C[C@H]1Cc1ccccc1 ZINC000284739190 218155448 /nfs/dbraw/zinc/15/54/48/218155448.db2.gz KPXKZPBGSRIMJB-RBUKOAKNSA-N 1 3 301.478 2.329 20 0 DEADHO O=C(NCC[C@H]1CC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000269167806 207291612 /nfs/dbraw/zinc/29/16/12/207291612.db2.gz FVXJKPIPXVIKMC-MRXNPFEDSA-N 1 3 315.461 2.014 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(F)ccc1Cl ZINC000555888975 291808246 /nfs/dbraw/zinc/80/82/46/291808246.db2.gz HFEPANDQHXLKJB-UHFFFAOYSA-N 1 3 315.820 2.045 20 0 DEADHO C[NH+](C)CCc1ccc(NC(=O)[C@H](N)Cc2ccccc2)cc1 ZINC000269256545 207399355 /nfs/dbraw/zinc/39/93/55/207399355.db2.gz SWHBJTDTZGVXNT-GOSISDBHSA-N 1 3 311.429 2.299 20 0 DEADHO OC[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)C1CCOCC1 ZINC000360802636 207399874 /nfs/dbraw/zinc/39/98/74/207399874.db2.gz DUXCTNPREWJTAI-GOSISDBHSA-N 1 3 310.482 2.161 20 0 DEADHO OC[C@@H](NC1CC[NH+](C2CCCCC2)CC1)C1CCOCC1 ZINC000360802636 207399881 /nfs/dbraw/zinc/39/98/81/207399881.db2.gz DUXCTNPREWJTAI-GOSISDBHSA-N 1 3 310.482 2.161 20 0 DEADHO CCC1(CC)[C@H]([NH2+]CCCCN2CCN(C)CC2)C[C@H]1OC ZINC000537294989 284989183 /nfs/dbraw/zinc/98/91/83/284989183.db2.gz FRKYRJLBXCYYCD-IAGOWNOFSA-N 1 3 311.514 2.197 20 0 DEADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)/C=C/C[NH+](C)C ZINC000270004717 208057678 /nfs/dbraw/zinc/05/76/78/208057678.db2.gz OTDNXWRORKWESJ-FMIVXFBMSA-N 1 3 303.450 2.131 20 0 DEADHO CC[NH+](CC)Cc1cccc(CN[C@H]2CCCN(C)C2=O)c1 ZINC000539807035 285093131 /nfs/dbraw/zinc/09/31/31/285093131.db2.gz OSNKSNGBQNSYCV-KRWDZBQOSA-N 1 3 303.450 2.239 20 0 DEADHO CCN(Cc1ccc(C(=O)N2CC[C@](C)(C[NH3+])C2)cc1)C1CC1 ZINC000261945781 285097511 /nfs/dbraw/zinc/09/75/11/285097511.db2.gz JTQDILBQVIPRNC-LJQANCHMSA-N 1 3 315.461 2.482 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000353111697 285197011 /nfs/dbraw/zinc/19/70/11/285197011.db2.gz MTHKXPYTDXHMNO-GVDBMIGSSA-N 1 3 322.497 2.129 20 0 DEADHO COc1ccc([C@H](CN[C@H](C)C[C@@H](C)[NH3+])N(C)C)cc1OC ZINC000422984417 533184016 /nfs/dbraw/zinc/18/40/16/533184016.db2.gz AUZGMUJSYBBZCC-NFAWXSAZSA-N 1 3 309.454 2.022 20 0 DEADHO CCc1cccnc1[C@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000542811971 285256032 /nfs/dbraw/zinc/25/60/32/285256032.db2.gz HFMGMEHDWAZRRH-INIZCTEOSA-N 1 3 304.482 2.322 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccccc1 ZINC000299704858 285281133 /nfs/dbraw/zinc/28/11/33/285281133.db2.gz GHJNWSKGKCIQRI-KRWDZBQOSA-N 1 3 303.450 2.175 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccccc1 ZINC000299704858 285281134 /nfs/dbraw/zinc/28/11/34/285281134.db2.gz GHJNWSKGKCIQRI-KRWDZBQOSA-N 1 3 303.450 2.175 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000289748488 221198760 /nfs/dbraw/zinc/19/87/60/221198760.db2.gz HMLPKCNRWVNMIG-CRAIPNDOSA-N 1 3 317.477 2.485 20 0 DEADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000294926354 224316735 /nfs/dbraw/zinc/31/67/35/224316735.db2.gz GASYSUXPSQGPQI-FSPWUOQZSA-N 1 3 311.429 2.344 20 0 DEADHO CC[NH+]1CCC(NC[C@]2(COC)OCCc3ccccc32)CC1 ZINC000289855549 221271573 /nfs/dbraw/zinc/27/15/73/221271573.db2.gz QSSHXIFEOSBDLH-LJQANCHMSA-N 1 3 318.461 2.175 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(OCCN(C)C)cc2)[C@H](C)O1 ZINC000295169955 224492169 /nfs/dbraw/zinc/49/21/69/224492169.db2.gz LGTONZCIHBMSEH-RVKKMQEKSA-N 1 3 306.450 2.325 20 0 DEADHO COc1ccc(C)cc1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000441337657 533387333 /nfs/dbraw/zinc/38/73/33/533387333.db2.gz RLOQSIJRLNLFGU-UHFFFAOYSA-N 1 3 305.466 2.119 20 0 DEADHO C[C@@H](NCCN1CC[N@H+](C)C(C)(C)C1)c1ccc(Cl)cn1 ZINC000442881150 533394708 /nfs/dbraw/zinc/39/47/08/533394708.db2.gz YYVLYBVAMFOJOY-CYBMUJFWSA-N 1 3 310.873 2.412 20 0 DEADHO C[C@@H](NCCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Cl)cn1 ZINC000442881150 533394712 /nfs/dbraw/zinc/39/47/12/533394712.db2.gz YYVLYBVAMFOJOY-CYBMUJFWSA-N 1 3 310.873 2.412 20 0 DEADHO COc1cccc(CC[NH2+][C@H](C)c2ccc(CN)nc2C)n1 ZINC000423004621 533467134 /nfs/dbraw/zinc/46/71/34/533467134.db2.gz KJFXPJWRTQMZHO-GFCCVEGCSA-N 1 3 300.406 2.146 20 0 DEADHO Cc1ccc(CCC[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)cn1 ZINC000684380075 542596745 /nfs/dbraw/zinc/59/67/45/542596745.db2.gz ZBQMPOQADOFOCL-GOSISDBHSA-N 1 3 316.493 2.081 20 0 DEADHO CCC1(O)CCN(C/C=C\C[NH+]2CCC(O)(CC)CC2)CC1 ZINC000340195415 131129274 /nfs/dbraw/zinc/12/92/74/131129274.db2.gz KONIXVJFOMYYOB-WAYWQWQTSA-N 1 3 310.482 2.016 20 0 DEADHO C[C@H]1[C@H](NC(=O)NCC2([NH+](C)C)CCCCC2)CCCN1C ZINC000343652698 132697093 /nfs/dbraw/zinc/69/70/93/132697093.db2.gz LKPKHPDVDUDQOE-LSDHHAIUSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1CN(C(=O)NCC2([NH3+])CCCCC2)CCN(C2CCC2)C1 ZINC000562813242 292012610 /nfs/dbraw/zinc/01/26/10/292012610.db2.gz UCGLERAJJWEPLV-HNNXBMFYSA-N 1 3 322.497 2.164 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000351627304 132922645 /nfs/dbraw/zinc/92/26/45/132922645.db2.gz GDRHKZQUGYPTGQ-HZPDHXFCSA-N 1 3 324.513 2.233 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]CC2(OC)CCC2)CC1 ZINC000355762702 133046493 /nfs/dbraw/zinc/04/64/93/133046493.db2.gz DMELKQUHJHHERY-UHFFFAOYSA-N 1 3 317.477 2.487 20 0 DEADHO C[C@@H](NC(=O)NCCC[NH2+]C1CCCCC1)C1=CCN(C)CC1 ZINC000358072923 133119098 /nfs/dbraw/zinc/11/90/98/133119098.db2.gz CTNBOXFZICMNOH-OAHLLOKOSA-N 1 3 322.497 2.248 20 0 DEADHO C[C@@H](NC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)C1=CCN(C)CC1 ZINC000358101084 133121119 /nfs/dbraw/zinc/12/11/19/133121119.db2.gz QSRFFPIGEMMQAT-HZPDHXFCSA-N 1 3 322.497 2.056 20 0 DEADHO C[C@@H](NC(=O)C1CCN(C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358108762 133121570 /nfs/dbraw/zinc/12/15/70/133121570.db2.gz WUSILAXJGMLMAN-GDBMZVCRSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H](NC(=O)C1CCN(C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358108762 133121571 /nfs/dbraw/zinc/12/15/71/133121571.db2.gz WUSILAXJGMLMAN-GDBMZVCRSA-N 1 3 307.482 2.097 20 0 DEADHO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H](C)CN(C)C ZINC000359660588 133137779 /nfs/dbraw/zinc/13/77/79/133137779.db2.gz WBCKWTIJRCYJPI-INIZCTEOSA-N 1 3 312.502 2.234 20 0 DEADHO C[C@@H]1C[N@H+](C)C[C@H]1c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000359925833 133153421 /nfs/dbraw/zinc/15/34/21/133153421.db2.gz SRSATVCEKHBDDY-IUODEOHRSA-N 1 3 300.406 2.463 20 0 DEADHO C[C@@H]1C[N@@H+](C)C[C@H]1c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000359925833 133153422 /nfs/dbraw/zinc/15/34/22/133153422.db2.gz SRSATVCEKHBDDY-IUODEOHRSA-N 1 3 300.406 2.463 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]C[C@H]2CCN(C3CC3)C2)[C@@H](C)C1 ZINC000360036552 133158871 /nfs/dbraw/zinc/15/88/71/133158871.db2.gz GRYBMHXPPACMBD-SCTDSRPQSA-N 1 3 323.525 2.197 20 0 DEADHO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC000362679033 133245323 /nfs/dbraw/zinc/24/53/23/133245323.db2.gz CUGUBQWGINIGAQ-OAHLLOKOSA-N 1 3 303.450 2.210 20 0 DEADHO CC[N@H+]1CCC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC000362679033 133245324 /nfs/dbraw/zinc/24/53/24/133245324.db2.gz CUGUBQWGINIGAQ-OAHLLOKOSA-N 1 3 303.450 2.210 20 0 DEADHO Cc1cccc(NCC[NH2+]C2CCN(c3ccncc3)CC2)n1 ZINC000563111581 292032244 /nfs/dbraw/zinc/03/22/44/292032244.db2.gz VQJJARWCYHNSMT-UHFFFAOYSA-N 1 3 311.433 2.456 20 0 DEADHO CC[C@@H]([NH2+]Cc1ccncc1OCCN(C)C)C1CCOCC1 ZINC000564149933 292087019 /nfs/dbraw/zinc/08/70/19/292087019.db2.gz AJLIKGWXVZVPEH-QGZVFWFLSA-N 1 3 321.465 2.317 20 0 DEADHO COC(=O)[C@H](C)Oc1ccc(C[N@H+](C)CCCN(C)C)cc1 ZINC000564314807 292091414 /nfs/dbraw/zinc/09/14/14/292091414.db2.gz HAIXZRFFGQWENX-AWEZNQCLSA-N 1 3 308.422 2.010 20 0 DEADHO COC(=O)[C@H](C)Oc1ccc(C[N@@H+](C)CCCN(C)C)cc1 ZINC000564314807 292091415 /nfs/dbraw/zinc/09/14/15/292091415.db2.gz HAIXZRFFGQWENX-AWEZNQCLSA-N 1 3 308.422 2.010 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CCN1C ZINC000564466682 292096662 /nfs/dbraw/zinc/09/66/62/292096662.db2.gz SXHVYCHVECAYNU-RHSMWYFYSA-N 1 3 303.450 2.003 20 0 DEADHO C[C@H]([NH2+]CCc1cncn1C)c1ccc(OCCN(C)C)cc1 ZINC000564748072 292108637 /nfs/dbraw/zinc/10/86/37/292108637.db2.gz IPLMLGLICXSCGW-HNNXBMFYSA-N 1 3 316.449 2.254 20 0 DEADHO O[C@H]1CCCC[C@@H]1N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000564825861 292113487 /nfs/dbraw/zinc/11/34/87/292113487.db2.gz NGISJYBIAHZCEV-OVWQWFNUSA-N 1 3 302.418 2.135 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000246289115 145097150 /nfs/dbraw/zinc/09/71/50/145097150.db2.gz NDRZSDACZXFTQP-NXOAAHMSSA-N 1 3 307.482 2.097 20 0 DEADHO CCN1CC[C@H](C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)C1 ZINC000246805682 145115188 /nfs/dbraw/zinc/11/51/88/145115188.db2.gz AHZLVAFIOOJAQO-SCTDSRPQSA-N 1 3 316.493 2.223 20 0 DEADHO [NH3+][C@@H]1CC[C@H]2CN(CCC(=O)Nc3ccccc3Cl)C[C@@H]12 ZINC000261615964 145210248 /nfs/dbraw/zinc/21/02/48/145210248.db2.gz FRQXPCUADWUBDJ-OUCADQQQSA-N 1 3 307.825 2.338 20 0 DEADHO C[C@H]([NH3+])CC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000261788465 145226282 /nfs/dbraw/zinc/22/62/82/145226282.db2.gz KCYYEBHKUCGPHG-YQQAZPJKSA-N 1 3 303.450 2.235 20 0 DEADHO O=C(c1ccc2c(c1)CNC2)N1CCC([NH+]2CCCCC2)CC1 ZINC000261940049 145245110 /nfs/dbraw/zinc/24/51/10/145245110.db2.gz UQJCCNCJDMNOGI-UHFFFAOYSA-N 1 3 313.445 2.380 20 0 DEADHO C[C@H](c1ccccc1)N(C)C(=O)CN(C)CC1CC[NH2+]CC1 ZINC000262083351 145259937 /nfs/dbraw/zinc/25/99/37/145259937.db2.gz HGUXHVWCZIOMPM-OAHLLOKOSA-N 1 3 303.450 2.137 20 0 DEADHO [NH3+][C@@H]1CCC[C@H]2CN(CCC(=O)Nc3cccc(F)c3)C[C@H]21 ZINC000262092895 145261026 /nfs/dbraw/zinc/26/10/26/145261026.db2.gz IBQSXOMANPTPDE-APHBMKBZSA-N 1 3 305.397 2.214 20 0 DEADHO CCc1ccc(CN2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000262117391 145262948 /nfs/dbraw/zinc/26/29/48/145262948.db2.gz WZLMJWVFOFUEIK-KRWDZBQOSA-N 1 3 303.450 2.069 20 0 DEADHO COc1cc(OC)c(CN2CCC3(C2)CC[NH2+]CC3)c(OC)c1 ZINC000262148401 145265876 /nfs/dbraw/zinc/26/58/76/145265876.db2.gz ZSHYUVSETJSUBC-UHFFFAOYSA-N 1 3 320.433 2.288 20 0 DEADHO C[C@@H](CN1CC[C@H](N2CC[NH2+]CC2)C1)c1cccc(Cl)c1 ZINC000262194717 145268711 /nfs/dbraw/zinc/26/87/11/145268711.db2.gz ZFJXUGZJHGHAHU-YOEHRIQHSA-N 1 3 307.869 2.423 20 0 DEADHO C[C@@H](C(=O)Nc1cccc(CN2CCCCC2)c1)C1C[NH2+]C1 ZINC000262309276 145276140 /nfs/dbraw/zinc/27/61/40/145276140.db2.gz CSSDOSWLSDVFTG-CQSZACIVSA-N 1 3 301.434 2.467 20 0 DEADHO C[C@H]1C[C@H](N(C)C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CCN1C ZINC000262377986 145280407 /nfs/dbraw/zinc/28/04/07/145280407.db2.gz XNDOJVXNNDWLAX-GAWIIXIKSA-N 1 3 307.482 2.081 20 0 DEADHO NCc1cc(NC(=O)CC[C@H]2CC[NH2+]C2)cc(C(F)(F)F)c1 ZINC000262960038 145314461 /nfs/dbraw/zinc/31/44/61/145314461.db2.gz KBVFAGAALNDJSW-JTQLQIEISA-N 1 3 315.339 2.492 20 0 DEADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000263058716 145321512 /nfs/dbraw/zinc/32/15/12/145321512.db2.gz VCZFEVRFCHOMGU-AOIWGVFYSA-N 1 3 315.461 2.285 20 0 DEADHO Cc1nc(COc2ccc(CN3CC[C@H]([C@@H](C)[NH3+])C3)cc2)no1 ZINC000346644933 146116052 /nfs/dbraw/zinc/11/60/52/146116052.db2.gz NRBSNGYZLBJDFO-DOMZBBRYSA-N 1 3 316.405 2.126 20 0 DEADHO C[NH2+]CCC1CCN(Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000346690253 146124734 /nfs/dbraw/zinc/12/47/34/146124734.db2.gz TVDZPSCTTNDFRQ-UHFFFAOYSA-N 1 3 313.449 2.304 20 0 DEADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3c[nH]nc3-c3ccc(F)cc3)C[C@@H]12 ZINC000346834768 146150065 /nfs/dbraw/zinc/15/00/65/146150065.db2.gz SYNYRBNFYSGTQY-APHBMKBZSA-N 1 3 300.381 2.385 20 0 DEADHO COCCOc1ccccc1CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346836763 146151482 /nfs/dbraw/zinc/15/14/82/146151482.db2.gz VOHXMPFYVLPMPP-UAGQMJEPSA-N 1 3 304.434 2.271 20 0 DEADHO CCCN(Cc1ccc(OCC(=O)OC)cc1)C1CC[NH2+]CC1 ZINC000347017485 146180944 /nfs/dbraw/zinc/18/09/44/146180944.db2.gz DQIMGBIYMDDLIB-UHFFFAOYSA-N 1 3 320.433 2.202 20 0 DEADHO CCC[N@H+](Cc1ccc(OCC(=O)OC)cc1)C1CCNCC1 ZINC000347017485 146180945 /nfs/dbraw/zinc/18/09/45/146180945.db2.gz DQIMGBIYMDDLIB-UHFFFAOYSA-N 1 3 320.433 2.202 20 0 DEADHO CCC[N@@H+](Cc1ccc(OCC(=O)OC)cc1)C1CCNCC1 ZINC000347017485 146180946 /nfs/dbraw/zinc/18/09/46/146180946.db2.gz DQIMGBIYMDDLIB-UHFFFAOYSA-N 1 3 320.433 2.202 20 0 DEADHO CC(=O)N1CC[C@H](N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000348099996 146216396 /nfs/dbraw/zinc/21/63/96/146216396.db2.gz YMNXWQGDRKCMKB-IPELMVKDSA-N 1 3 315.461 2.107 20 0 DEADHO CC(=O)N1CC[C@H](N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000348099996 146216398 /nfs/dbraw/zinc/21/63/98/146216398.db2.gz YMNXWQGDRKCMKB-IPELMVKDSA-N 1 3 315.461 2.107 20 0 DEADHO CN(C/C=C\c1ccncc1)CCN(C)C1CC[NH+](C)CC1 ZINC000349058908 146345361 /nfs/dbraw/zinc/34/53/61/146345361.db2.gz ABNHFUVYSITOPQ-PLNGDYQASA-N 1 3 302.466 2.053 20 0 DEADHO CC[N@H+](CCC1CCN(CC(=O)N(C)C2CC2)CC1)CC1CC1 ZINC000357088342 147038652 /nfs/dbraw/zinc/03/86/52/147038652.db2.gz RWGVMWVVLCKTLB-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+](CCC1CCN(CC(=O)N(C)C2CC2)CC1)CC1CC1 ZINC000357088342 147038653 /nfs/dbraw/zinc/03/86/53/147038653.db2.gz RWGVMWVVLCKTLB-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN1CCC[C@H]1CNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000358319650 147112503 /nfs/dbraw/zinc/11/25/03/147112503.db2.gz YUQDSAFLJQHOJP-KRWDZBQOSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H](NC(=O)c1cccc(CN(C)C)c1)C1=CC[N@H+](C)CC1 ZINC000358407827 147127400 /nfs/dbraw/zinc/12/74/00/147127400.db2.gz VXONYSACGYFVTJ-AWEZNQCLSA-N 1 3 301.434 2.128 20 0 DEADHO C[C@H](NC(=O)c1cccc(CN(C)C)c1)C1=CC[N@@H+](C)CC1 ZINC000358407827 147127402 /nfs/dbraw/zinc/12/74/02/147127402.db2.gz VXONYSACGYFVTJ-AWEZNQCLSA-N 1 3 301.434 2.128 20 0 DEADHO C[C@H](NC(=O)CN1CCC2(C1)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000358495824 147145059 /nfs/dbraw/zinc/14/50/59/147145059.db2.gz HUMIYRCJEQJYCC-AWEZNQCLSA-N 1 3 319.424 2.078 20 0 DEADHO CC(C)[NH+](CCNC(=O)[C@H](CN)c1ccc(F)cc1)C(C)C ZINC000358867665 147221787 /nfs/dbraw/zinc/22/17/87/147221787.db2.gz UGYZZVLBOVJWMY-MRXNPFEDSA-N 1 3 309.429 2.103 20 0 DEADHO CCCN(C)CC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000359333815 147309048 /nfs/dbraw/zinc/30/90/48/147309048.db2.gz BTTZRFUHPODGDW-UHFFFAOYSA-N 1 3 317.477 2.152 20 0 DEADHO Cc1ccc(S(=O)(=O)C[C@H](C)NC2CCC(C[NH3+])CC2)cc1 ZINC000415116231 292171517 /nfs/dbraw/zinc/17/15/17/292171517.db2.gz ZISQHXUYRPAXEZ-FHERZECASA-N 1 3 324.490 2.264 20 0 DEADHO C[C@H](NC(=O)[C@@H]([NH3+])C1CCC1)c1nc(C2CCCCC2)no1 ZINC000565651971 292175142 /nfs/dbraw/zinc/17/51/42/292175142.db2.gz WFZOFUUZWDFMAZ-GWCFXTLKSA-N 1 3 306.410 2.422 20 0 DEADHO CN1CC[NH+](CC2(C)CCN(CCC(F)(F)F)CC2)CC1 ZINC000375246650 148346903 /nfs/dbraw/zinc/34/69/03/148346903.db2.gz XGHOEIMAYRANDF-UHFFFAOYSA-N 1 3 307.404 2.288 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]C[C@@H](C)N(C)C2CC2)[C@H](C)C1 ZINC000130888427 286059463 /nfs/dbraw/zinc/05/94/63/286059463.db2.gz GNKLIKKSFKNRAA-JFIYKMOQSA-N 1 3 311.514 2.196 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](C)N(C)C2CC2)[C@@H](C)C1 ZINC000361182685 286063072 /nfs/dbraw/zinc/06/30/72/286063072.db2.gz GNKLIKKSFKNRAA-BQFCYCMXSA-N 1 3 311.514 2.196 20 0 DEADHO Fc1cccnc1N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000566089215 292203814 /nfs/dbraw/zinc/20/38/14/292203814.db2.gz GZHAZQHFZZHORW-XOSAIJSUSA-N 1 3 318.440 2.310 20 0 DEADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)CC1 ZINC000111817690 401724711 /nfs/dbraw/zinc/72/47/11/401724711.db2.gz MNWHXULZRUMDCV-HOTGVXAUSA-N 1 3 324.513 2.279 20 0 DEADHO CCCC[N@H+](C)CCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000112431497 401744780 /nfs/dbraw/zinc/74/47/80/401744780.db2.gz DPTWWLYAORSLNE-QGZVFWFLSA-N 1 3 320.481 2.320 20 0 DEADHO CCCC[N@@H+](C)CCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000112431497 401744783 /nfs/dbraw/zinc/74/47/83/401744783.db2.gz DPTWWLYAORSLNE-QGZVFWFLSA-N 1 3 320.481 2.320 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000129124426 401799745 /nfs/dbraw/zinc/79/97/45/401799745.db2.gz RCKDCRQIRDQFSD-KRWDZBQOSA-N 1 3 303.450 2.239 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCC(=O)NCc1ccccc1 ZINC000129236937 401800794 /nfs/dbraw/zinc/80/07/94/401800794.db2.gz VZWLOALLICDJFD-INMHGKMJSA-N 1 3 303.450 2.011 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCC(=O)NCc1ccccc1 ZINC000129236937 401800800 /nfs/dbraw/zinc/80/08/00/401800800.db2.gz VZWLOALLICDJFD-INMHGKMJSA-N 1 3 303.450 2.011 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000127959281 401757147 /nfs/dbraw/zinc/75/71/47/401757147.db2.gz GJQOYVVARAQZIR-KRWDZBQOSA-N 1 3 315.461 2.306 20 0 DEADHO C[C@H]1CCC[C@](CNC(=O)N(C)CCN2CCCC2)([NH+](C)C)C1 ZINC000112745380 401757346 /nfs/dbraw/zinc/75/73/46/401757346.db2.gz DPDSMXJLQWVRIP-WMZOPIPTSA-N 1 3 324.513 2.234 20 0 DEADHO CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CCC1 ZINC000075841033 401770821 /nfs/dbraw/zinc/77/08/21/401770821.db2.gz DPSHENQJYIEBRS-UHFFFAOYSA-N 1 3 315.461 2.383 20 0 DEADHO Cc1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)ccc1Cl ZINC000128768881 401790938 /nfs/dbraw/zinc/79/09/38/401790938.db2.gz HQUOVTGUHCDYSU-UHFFFAOYSA-N 1 3 311.857 2.214 20 0 DEADHO Cc1ccc([C@H](CNC(=O)C[C@H]2CC[NH2+]C2)N2CCCC2)cc1 ZINC000130571014 401835696 /nfs/dbraw/zinc/83/56/96/401835696.db2.gz LCWUPKQUUYWJIJ-AEFFLSMTSA-N 1 3 315.461 2.248 20 0 DEADHO C[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)N1CCC(C)CC1 ZINC000115811981 401837604 /nfs/dbraw/zinc/83/76/04/401837604.db2.gz CBOYVTWIXLLKLG-IAGOWNOFSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)N1CCC(C)CC1 ZINC000115811981 401837606 /nfs/dbraw/zinc/83/76/06/401837606.db2.gz CBOYVTWIXLLKLG-IAGOWNOFSA-N 1 3 324.513 2.090 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccnc(OC)c2)[C@H](C)C1 ZINC000131697890 401854707 /nfs/dbraw/zinc/85/47/07/401854707.db2.gz RUTMMSDIERZJMG-WBVHZDCISA-N 1 3 321.465 2.317 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCC[C@@H]2O)CC1 ZINC000088736817 401934661 /nfs/dbraw/zinc/93/46/61/401934661.db2.gz CPHPUPDUXOMYPX-MJGOQNOKSA-N 1 3 317.477 2.079 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)C1C[NH+](CCC(C)(C)C)C1)N(C)C ZINC001422733644 1172834798 /nfs/dbraw/zinc/83/47/98/1172834798.db2.gz QJNWEYLRHHJWAB-HOCLYGCPSA-N 1 3 311.514 2.445 20 0 DEADHO CC[N@@H+]1CC[C@@H](NCc2ccccc2OCCN(C)C)[C@H](C)C1 ZINC000122310964 402071990 /nfs/dbraw/zinc/07/19/90/402071990.db2.gz ZKUPSKQGBAFUAE-SJLPKXTDSA-N 1 3 319.493 2.447 20 0 DEADHO CC[N@H+]1CC[C@@H](NCc2ccccc2OCCN(C)C)[C@H](C)C1 ZINC000122310964 402071992 /nfs/dbraw/zinc/07/19/92/402071992.db2.gz ZKUPSKQGBAFUAE-SJLPKXTDSA-N 1 3 319.493 2.447 20 0 DEADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCN2CCCCC2)C1 ZINC000097257302 402120478 /nfs/dbraw/zinc/12/04/78/402120478.db2.gz GZGWTXGGSBSXTH-INIZCTEOSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCN2CCCCC2)C1 ZINC000097257302 402120480 /nfs/dbraw/zinc/12/04/80/402120480.db2.gz GZGWTXGGSBSXTH-INIZCTEOSA-N 1 3 324.513 2.282 20 0 DEADHO CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000122984764 402104400 /nfs/dbraw/zinc/10/44/00/402104400.db2.gz RTLMIZCXVLINNL-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103092097 402178403 /nfs/dbraw/zinc/17/84/03/402178403.db2.gz JVYBCFHHCRODMW-QGZVFWFLSA-N 1 3 309.498 2.443 20 0 DEADHO C[C@H]([NH2+]C[C@H]1CCCN1C)c1cccc(OCCN(C)C)c1 ZINC000154551110 402218063 /nfs/dbraw/zinc/21/80/63/402218063.db2.gz HRWVURMGUAARAB-DOTOQJQBSA-N 1 3 305.466 2.372 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000105129534 402206742 /nfs/dbraw/zinc/20/67/42/402206742.db2.gz SOVQILGYXMPWMZ-DLBZAZTESA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000105129534 402206745 /nfs/dbraw/zinc/20/67/45/402206745.db2.gz SOVQILGYXMPWMZ-DLBZAZTESA-N 1 3 324.513 2.280 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)N(C)CC[NH+](C)C)N(C)C)cc1 ZINC000176152256 402284388 /nfs/dbraw/zinc/28/43/88/402284388.db2.gz ATLFJHOSXRPHHY-QGZVFWFLSA-N 1 3 320.481 2.055 20 0 DEADHO CCOC[C@H]1CCN(CC(C)C[N@@H+]2CC[C@H](COCC)C2)C1 ZINC000176307583 402298510 /nfs/dbraw/zinc/29/85/10/402298510.db2.gz GSZHNLNXQJAZHA-ROUUACIJSA-N 1 3 312.498 2.339 20 0 DEADHO CCOC[C@H]1CCN(CC(C)C[N@H+]2CC[C@H](COCC)C2)C1 ZINC000176307583 402298512 /nfs/dbraw/zinc/29/85/12/402298512.db2.gz GSZHNLNXQJAZHA-ROUUACIJSA-N 1 3 312.498 2.339 20 0 DEADHO CN(C)[C@@H](CNC(=O)C[NH+]1C[C@H]2CCC[C@@H]2C1)c1ccccc1 ZINC000184980529 402314069 /nfs/dbraw/zinc/31/40/69/402314069.db2.gz OOWZQGCYCPRXSH-KURKYZTESA-N 1 3 315.461 2.137 20 0 DEADHO CC1CCN([C@@H](CNC(=O)[C@H]2CC[NH2+]C2)c2cccs2)CC1 ZINC000236653312 402371470 /nfs/dbraw/zinc/37/14/70/402371470.db2.gz GHGBKIRNOMTNLQ-GJZGRUSLSA-N 1 3 321.490 2.247 20 0 DEADHO CC(C)(CNC(=O)[C@H]1CC[C@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000236693731 402375165 /nfs/dbraw/zinc/37/51/65/402375165.db2.gz FQJJDNUQSHCCMD-RDJZCZTQSA-N 1 3 315.461 2.067 20 0 DEADHO CCCC[C@H]([NH3+])C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000236804799 402383175 /nfs/dbraw/zinc/38/31/75/402383175.db2.gz AKHQVXYSFHEVEF-DLBZAZTESA-N 1 3 305.466 2.485 20 0 DEADHO CN(C(=O)c1cccc(CN2CCCC2)c1)C1CC[NH2+]CC1 ZINC000237111351 402395492 /nfs/dbraw/zinc/39/54/92/402395492.db2.gz FZCNBHMTNLJOMV-UHFFFAOYSA-N 1 3 301.434 2.106 20 0 DEADHO CN(CCOc1cccc(F)c1)CCN(C)C1CC[NH+](C)CC1 ZINC000177386058 402396655 /nfs/dbraw/zinc/39/66/55/402396655.db2.gz WEJKDSGDXAWDPN-UHFFFAOYSA-N 1 3 323.456 2.162 20 0 DEADHO C[C@H](C(=O)NC[C@@H](C)C[NH3+])N1CCC(Cc2ccccc2)CC1 ZINC000237346461 402405080 /nfs/dbraw/zinc/40/50/80/402405080.db2.gz QUAQLDYGJPJVNB-JKSUJKDBSA-N 1 3 317.477 2.041 20 0 DEADHO C[C@@H](Cn1cccn1)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000237395025 402406915 /nfs/dbraw/zinc/40/69/15/402406915.db2.gz BNLHKNNNDQFHFN-INIZCTEOSA-N 1 3 316.449 2.392 20 0 DEADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000237927936 402426954 /nfs/dbraw/zinc/42/69/54/402426954.db2.gz AUOKSUDLKIVXKA-ZWKOTPCHSA-N 1 3 315.461 2.299 20 0 DEADHO NC[C@@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000238019607 402432299 /nfs/dbraw/zinc/43/22/99/402432299.db2.gz NZERKLXXHZWMGP-GOSISDBHSA-N 1 3 315.461 2.252 20 0 DEADHO CC[N@@H+]1CC[C@@H](NCCNC(=O)c2ccccc2Cl)[C@H](C)C1 ZINC000178169613 402467445 /nfs/dbraw/zinc/46/74/45/402467445.db2.gz WVCAXKQEUGXWSS-CZUORRHYSA-N 1 3 323.868 2.390 20 0 DEADHO CC[N@H+]1CC[C@@H](NCCNC(=O)c2ccccc2Cl)[C@H](C)C1 ZINC000178169613 402467449 /nfs/dbraw/zinc/46/74/49/402467449.db2.gz WVCAXKQEUGXWSS-CZUORRHYSA-N 1 3 323.868 2.390 20 0 DEADHO C[C@H](N)C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000164840832 402469685 /nfs/dbraw/zinc/46/96/85/402469685.db2.gz XDBHAWFEUCLSQI-ZNMIVQPWSA-N 1 3 303.450 2.128 20 0 DEADHO C[C@H](N)C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000164840832 402469686 /nfs/dbraw/zinc/46/96/86/402469686.db2.gz XDBHAWFEUCLSQI-ZNMIVQPWSA-N 1 3 303.450 2.128 20 0 DEADHO CC[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)N(C)C ZINC000178220801 402472939 /nfs/dbraw/zinc/47/29/39/402472939.db2.gz JARBDQWQHUPSPO-SFHVURJKSA-N 1 3 317.477 2.355 20 0 DEADHO C[C@H](CC(=O)NCCN(C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000165932468 402480078 /nfs/dbraw/zinc/48/00/78/402480078.db2.gz HOBQZDXECNJDRF-SJLPKXTDSA-N 1 3 317.477 2.260 20 0 DEADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1ccc2c(c1)OCCO2 ZINC000166002517 402480559 /nfs/dbraw/zinc/48/05/59/402480559.db2.gz KIKBMQSAHVUGPE-GDBMZVCRSA-N 1 3 322.449 2.465 20 0 DEADHO C[NH2+]C[C@H](C)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000166328173 402483880 /nfs/dbraw/zinc/48/38/80/402483880.db2.gz APDPLYSJVNDBDG-RDJZCZTQSA-N 1 3 303.450 2.104 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000167789723 402493454 /nfs/dbraw/zinc/49/34/54/402493454.db2.gz FVYDWRQHBRZYTR-WBVHZDCISA-N 1 3 315.461 2.328 20 0 DEADHO Cc1cc(NC(=O)[C@@H](N)C(C)C)ccc1OCC[NH+]1CCCC1 ZINC000169090245 402500300 /nfs/dbraw/zinc/50/03/00/402500300.db2.gz MPVVXSVBDRWDJH-KRWDZBQOSA-N 1 3 319.449 2.391 20 0 DEADHO CCN1CC[C@H]([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000246877788 402547763 /nfs/dbraw/zinc/54/77/63/402547763.db2.gz CXSYDXYEGDOCEF-OWSLCNJRSA-N 1 3 311.514 2.196 20 0 DEADHO C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000178868520 402548361 /nfs/dbraw/zinc/54/83/61/402548361.db2.gz FLJQAYAFSYNZDK-YJBOKZPZSA-N 1 3 315.461 2.237 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000246930766 402549882 /nfs/dbraw/zinc/54/98/82/402549882.db2.gz MPHLLHXESXRCPJ-BZUAXINKSA-N 1 3 322.497 2.175 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000246930766 402549885 /nfs/dbraw/zinc/54/98/85/402549885.db2.gz MPHLLHXESXRCPJ-BZUAXINKSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H](CN)c1ccccc1 ZINC000246255300 402520796 /nfs/dbraw/zinc/52/07/96/402520796.db2.gz KHKAFJHKIYNGCS-SJLPKXTDSA-N 1 3 317.477 2.500 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H](CN)c1ccccc1 ZINC000246255300 402520799 /nfs/dbraw/zinc/52/07/99/402520799.db2.gz KHKAFJHKIYNGCS-SJLPKXTDSA-N 1 3 317.477 2.500 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)CC1 ZINC000246292719 402523573 /nfs/dbraw/zinc/52/35/73/402523573.db2.gz KZDYAOASTOPZCW-WBVHZDCISA-N 1 3 324.513 2.090 20 0 DEADHO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCCN1 ZINC000178731373 402532189 /nfs/dbraw/zinc/53/21/89/402532189.db2.gz AMMDAPZKEUNICT-SFHVURJKSA-N 1 3 315.461 2.157 20 0 DEADHO C[C@@H](CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)N(C)C1CC1 ZINC000246533599 402535416 /nfs/dbraw/zinc/53/54/16/402535416.db2.gz WSAIRCBCUYWJIA-GJZGRUSLSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H](CNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)N(C)C1CC1 ZINC000246533599 402535417 /nfs/dbraw/zinc/53/54/17/402535417.db2.gz WSAIRCBCUYWJIA-GJZGRUSLSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H]1CC[N@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)[C@@H]1C ZINC000249362844 402626704 /nfs/dbraw/zinc/62/67/04/402626704.db2.gz TYEKTPHYXMWQDR-BFYDXBDKSA-N 1 3 303.450 2.136 20 0 DEADHO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)[C@@H]1C ZINC000249362844 402626705 /nfs/dbraw/zinc/62/67/05/402626705.db2.gz TYEKTPHYXMWQDR-BFYDXBDKSA-N 1 3 303.450 2.136 20 0 DEADHO [NH3+]Cc1ccc(NC(=O)N2CC[C@H](N3CCCCC3)C2)cc1 ZINC000261923619 402719174 /nfs/dbraw/zinc/71/91/74/402719174.db2.gz IJRMKZHYYLYVOF-INIZCTEOSA-N 1 3 302.422 2.237 20 0 DEADHO CC(C)(C)OC(=O)N1CCC([NH2+]CCCN2CCCC2)CC1 ZINC000192697299 402745118 /nfs/dbraw/zinc/74/51/18/402745118.db2.gz AEXSBIPIPQWPOY-UHFFFAOYSA-N 1 3 311.470 2.461 20 0 DEADHO C[C@@H](CNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)N(C)C1CC1 ZINC000174739432 402754670 /nfs/dbraw/zinc/75/46/70/402754670.db2.gz TZPVBOBVZISLNY-HOCLYGCPSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)N(C)C1CC1 ZINC000174739432 402754671 /nfs/dbraw/zinc/75/46/71/402754671.db2.gz TZPVBOBVZISLNY-HOCLYGCPSA-N 1 3 322.497 2.033 20 0 DEADHO Cn1cc(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)cn1 ZINC000272598307 402957703 /nfs/dbraw/zinc/95/77/03/402957703.db2.gz TUINFQSGSNQYHW-SLFFLAALSA-N 1 3 324.472 2.463 20 0 DEADHO C[C@@H](NC(=O)/C=C/CN(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272237569 402913163 /nfs/dbraw/zinc/91/31/63/402913163.db2.gz FUJYTKHSOWKJIA-HQWTUQCVSA-N 1 3 315.461 2.131 20 0 DEADHO C[C@@H](NC(=O)/C=C/CN(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272237569 402913165 /nfs/dbraw/zinc/91/31/65/402913165.db2.gz FUJYTKHSOWKJIA-HQWTUQCVSA-N 1 3 315.461 2.131 20 0 DEADHO COc1cc(C)c([C@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1C ZINC000273270530 402989323 /nfs/dbraw/zinc/98/93/23/402989323.db2.gz HFCRRHUTDYEYMA-HNNXBMFYSA-N 1 3 306.450 2.419 20 0 DEADHO CN1CCC(N(Cc2ccco2)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000266809628 402993358 /nfs/dbraw/zinc/99/33/58/402993358.db2.gz FONWAOYXMHNTRP-UHFFFAOYSA-N 1 3 319.449 2.044 20 0 DEADHO COc1cc(C)c([C@H](C)[NH2+]C[C@H](O)CN2CCCC2)cc1C ZINC000273210042 402982830 /nfs/dbraw/zinc/98/28/30/402982830.db2.gz SVBOPGORMFLWFT-HOTGVXAUSA-N 1 3 306.450 2.419 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCNC(=O)c1ccc(Cl)cc1 ZINC000268791206 403113960 /nfs/dbraw/zinc/11/39/60/403113960.db2.gz BXBNPEHMCDVFMD-WWGRRREGSA-N 1 3 323.868 2.388 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCNC(=O)c1ccc(Cl)cc1 ZINC000268791206 403113962 /nfs/dbraw/zinc/11/39/62/403113962.db2.gz BXBNPEHMCDVFMD-WWGRRREGSA-N 1 3 323.868 2.388 20 0 DEADHO Cc1cccc(C[C@@H]([NH2+]CC2(O)CCN(C)CC2)C2CC2)c1 ZINC000268981683 403121972 /nfs/dbraw/zinc/12/19/72/403121972.db2.gz KRFYDFDZEXYGJK-GOSISDBHSA-N 1 3 302.462 2.362 20 0 DEADHO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000269267297 403126479 /nfs/dbraw/zinc/12/64/79/403126479.db2.gz LDGLSUOHYFJLSK-MSOLQXFVSA-N 1 3 315.461 2.142 20 0 DEADHO C[N@@H+]1CCCN(c2ccc(NC(=O)[C@@H](N)C(C)(C)C)cc2)CC1 ZINC000269282630 403127786 /nfs/dbraw/zinc/12/77/86/403127786.db2.gz GNCGXWBIRULQLK-MRXNPFEDSA-N 1 3 318.465 2.140 20 0 DEADHO C[N@H+]1CCCN(c2ccc(NC(=O)[C@@H](N)C(C)(C)C)cc2)CC1 ZINC000269282630 403127787 /nfs/dbraw/zinc/12/77/87/403127787.db2.gz GNCGXWBIRULQLK-MRXNPFEDSA-N 1 3 318.465 2.140 20 0 DEADHO CN1CCC(O)(C[NH2+]CCCCCOc2ccccc2)CC1 ZINC000275851445 403128148 /nfs/dbraw/zinc/12/81/48/403128148.db2.gz WGONPKOUKQAEPU-UHFFFAOYSA-N 1 3 306.450 2.282 20 0 DEADHO CN(C)Cc1ccc(C(=O)N[C@H](C[NH3+])C2CCCCC2)cc1 ZINC000566737131 292264874 /nfs/dbraw/zinc/26/48/74/292264874.db2.gz YJSMFWFODORNCT-QGZVFWFLSA-N 1 3 303.450 2.386 20 0 DEADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCC2(C)C)c1 ZINC000284261276 403258282 /nfs/dbraw/zinc/25/82/82/403258282.db2.gz IXLNDUCOBGPZOY-INIZCTEOSA-N 1 3 303.450 2.256 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000342912652 403394080 /nfs/dbraw/zinc/39/40/80/403394080.db2.gz CZJIPXDYRBZOMN-HUUCEWRRSA-N 1 3 303.450 2.237 20 0 DEADHO CC[C@H](C(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1)N(C)C ZINC000298520778 403403997 /nfs/dbraw/zinc/40/39/97/403403997.db2.gz IGNICWWESCGKRU-MRXNPFEDSA-N 1 3 305.466 2.353 20 0 DEADHO CC[C@H](C(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1)N(C)C ZINC000298520778 403403999 /nfs/dbraw/zinc/40/39/99/403403999.db2.gz IGNICWWESCGKRU-MRXNPFEDSA-N 1 3 305.466 2.353 20 0 DEADHO Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C)C2=CCN(C)CC2)c(C)c1 ZINC000566851327 292272303 /nfs/dbraw/zinc/27/23/03/292272303.db2.gz CDRALBNBRSCRRM-FUHWJXTLSA-N 1 3 318.461 2.283 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCCN(CC)C1CC1 ZINC000343056218 403446437 /nfs/dbraw/zinc/44/64/37/403446437.db2.gz VZFJKUBZJIOUCX-KRWDZBQOSA-N 1 3 324.513 2.425 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCCN(CC)C1CC1 ZINC000343056218 403446442 /nfs/dbraw/zinc/44/64/42/403446442.db2.gz VZFJKUBZJIOUCX-KRWDZBQOSA-N 1 3 324.513 2.425 20 0 DEADHO C[C@@H]1C[C@H](NCc2cccc(N3CCOCC3)c2)CC[N@@H+]1C ZINC000293628270 403522652 /nfs/dbraw/zinc/52/26/52/403522652.db2.gz GHHGKUFPCSERAE-NVXWUHKLSA-N 1 3 303.450 2.096 20 0 DEADHO C[C@@H]1C[C@H](NCc2cccc(N3CCOCC3)c2)CC[N@H+]1C ZINC000293628270 403522654 /nfs/dbraw/zinc/52/26/54/403522654.db2.gz GHHGKUFPCSERAE-NVXWUHKLSA-N 1 3 303.450 2.096 20 0 DEADHO Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@H]3CCN(C)C[C@H]32)c1 ZINC000332229042 403522209 /nfs/dbraw/zinc/52/22/09/403522209.db2.gz CYIMZZDEYPEIFI-GDBMZVCRSA-N 1 3 302.422 2.012 20 0 DEADHO C[C@H](C[NH2+][C@H](C)[C@@H](c1ccccc1)N1CCOCC1)CN(C)C ZINC000293830278 403574469 /nfs/dbraw/zinc/57/44/69/403574469.db2.gz WKULSZNHNGISCA-LMMKCTJWSA-N 1 3 319.493 2.236 20 0 DEADHO C[C@H]1[C@@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)CCCN1C ZINC000343610592 403662098 /nfs/dbraw/zinc/66/20/98/403662098.db2.gz CYLOCKOJZVFEFG-YOEHRIQHSA-N 1 3 318.465 2.030 20 0 DEADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3ccc4c[nH]nc4c3)CC2)C1 ZINC000333089837 403663402 /nfs/dbraw/zinc/66/34/02/403663402.db2.gz CFTLEMZQKWPQFC-AEFFLSMTSA-N 1 3 314.433 2.281 20 0 DEADHO Cc1nn(C(C)C)cc1CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333193656 403691281 /nfs/dbraw/zinc/69/12/81/403691281.db2.gz VRKHAQCAHQTNBJ-ROUUACIJSA-N 1 3 320.481 2.491 20 0 DEADHO C[C@H]1CCC[C@@](CNC(=O)NCC2=CCN(C)CC2)([NH+](C)C)C1 ZINC000343731766 403710621 /nfs/dbraw/zinc/71/06/21/403710621.db2.gz SBLOQRJKSXRTAG-MAUKXSAKSA-N 1 3 322.497 2.058 20 0 DEADHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc2c(c1)OCC(=O)N2 ZINC000333280585 403714689 /nfs/dbraw/zinc/71/46/89/403714689.db2.gz XTBUGPQJQAEYOG-PRTUASRFSA-N 1 3 315.417 2.293 20 0 DEADHO C[C@H]1C[C@H](NC(=O)NCC2([NH+](C)C)CCCCCC2)CCN1C ZINC000340984072 403723448 /nfs/dbraw/zinc/72/34/48/403723448.db2.gz AIWMYGRGWNISLN-JKSUJKDBSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000340990763 403725270 /nfs/dbraw/zinc/72/52/70/403725270.db2.gz VEXLFSMLZIPTTA-IKGGRYGDSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000340990763 403725276 /nfs/dbraw/zinc/72/52/76/403725276.db2.gz VEXLFSMLZIPTTA-IKGGRYGDSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)CCCN1C ZINC000343835691 403752397 /nfs/dbraw/zinc/75/23/97/403752397.db2.gz CZWXMWNCBVWUGY-SJORKVTESA-N 1 3 324.513 2.425 20 0 DEADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000567102598 292289018 /nfs/dbraw/zinc/28/90/18/292289018.db2.gz VETZYPPNNHTVJJ-QZTJIDSGSA-N 1 3 323.525 2.376 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)N1CCCCC1 ZINC000361713645 403817903 /nfs/dbraw/zinc/81/79/03/403817903.db2.gz ZPUIQKMPAZNTOW-FGTMMUONSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)N1CCCCC1 ZINC000361713645 403817911 /nfs/dbraw/zinc/81/79/11/403817911.db2.gz ZPUIQKMPAZNTOW-FGTMMUONSA-N 1 3 321.509 2.440 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000295268735 403821917 /nfs/dbraw/zinc/82/19/17/403821917.db2.gz VNRLHZWFDICUPR-HUUCEWRRSA-N 1 3 323.506 2.464 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000341155548 403799618 /nfs/dbraw/zinc/79/96/18/403799618.db2.gz FKZQLDKLKPLQSF-OWCLPIDISA-N 1 3 310.486 2.033 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000341155548 403799620 /nfs/dbraw/zinc/79/96/20/403799620.db2.gz FKZQLDKLKPLQSF-OWCLPIDISA-N 1 3 310.486 2.033 20 0 DEADHO COc1cccc([C@@H](C)[NH2+]C[C@H](O)CN2CCC(C)CC2)c1 ZINC000304731570 403800519 /nfs/dbraw/zinc/80/05/19/403800519.db2.gz RFENUZWROYFFLU-WBVHZDCISA-N 1 3 306.450 2.439 20 0 DEADHO CC(C)[N@H+](C)CCCNC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000289287896 403897341 /nfs/dbraw/zinc/89/73/41/403897341.db2.gz PJEVQPOORYRQFP-JKSUJKDBSA-N 1 3 318.417 2.137 20 0 DEADHO CC(C)[N@@H+](C)CCCNC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000289287896 403897349 /nfs/dbraw/zinc/89/73/49/403897349.db2.gz PJEVQPOORYRQFP-JKSUJKDBSA-N 1 3 318.417 2.137 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1([NH+](C)C)CCCC1)N1CCCCC1 ZINC000354600788 403897902 /nfs/dbraw/zinc/89/79/02/403897902.db2.gz NCLPUXNUNODGAC-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](NC1CC1)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000295320475 403852608 /nfs/dbraw/zinc/85/26/08/403852608.db2.gz YZBLHNOZXDUTFV-UONOGXRCSA-N 1 3 303.450 2.373 20 0 DEADHO CCO[C@H]1C[C@@H](NCc2ccncc2OCC[NH+](C)C)C1(C)C ZINC000344026533 403856221 /nfs/dbraw/zinc/85/62/21/403856221.db2.gz GSGYUQHRJCSCAO-SJORKVTESA-N 1 3 321.465 2.315 20 0 DEADHO C[C@H]([NH2+]C[C@]1(O)CCSC1)c1cccc(OCCN(C)C)c1 ZINC000305178054 403864257 /nfs/dbraw/zinc/86/42/57/403864257.db2.gz VQTSAWVOBYWUMZ-WMLDXEAASA-N 1 3 324.490 2.146 20 0 DEADHO C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000341283577 403883674 /nfs/dbraw/zinc/88/36/74/403883674.db2.gz YZPKWRGYSYXNAR-BEFAXECRSA-N 1 3 317.477 2.199 20 0 DEADHO C[C@@H]([NH3+])[C@@H]1CCN(CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000351856232 403965042 /nfs/dbraw/zinc/96/50/42/403965042.db2.gz UTVZFAYCGUVUQG-GHMZBOCLSA-N 1 3 313.804 2.477 20 0 DEADHO CCN1CCC(NC(=O)C[N@H+](CC)[C@@H]2CCCC[C@H]2C)CC1 ZINC000411606316 403910113 /nfs/dbraw/zinc/91/01/13/403910113.db2.gz BCXQHKVYZHRFDK-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO CCN1CCC(NC(=O)C[N@@H+](CC)[C@@H]2CCCC[C@H]2C)CC1 ZINC000411606316 403910116 /nfs/dbraw/zinc/91/01/16/403910116.db2.gz BCXQHKVYZHRFDK-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO CCN1CCC(NC(=O)C[N@H+](CC)[C@H]2CCCC[C@H]2C)CC1 ZINC000411606318 403910367 /nfs/dbraw/zinc/91/03/67/403910367.db2.gz BCXQHKVYZHRFDK-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CCN1CCC(NC(=O)C[N@@H+](CC)[C@H]2CCCC[C@H]2C)CC1 ZINC000411606318 403910370 /nfs/dbraw/zinc/91/03/70/403910370.db2.gz BCXQHKVYZHRFDK-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCCCC1 ZINC000354651887 403928460 /nfs/dbraw/zinc/92/84/60/403928460.db2.gz DPRIKGRIVUNWBN-IXDOHACOSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CCCCC1 ZINC000354651887 403928466 /nfs/dbraw/zinc/92/84/66/403928466.db2.gz DPRIKGRIVUNWBN-IXDOHACOSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)N1CCOCC1 ZINC000336868157 403941845 /nfs/dbraw/zinc/94/18/45/403941845.db2.gz RLPIUCMZHSCTJK-FCGDIQPGSA-N 1 3 323.525 2.244 20 0 DEADHO COC[C@]1(CN[C@H]2CC[N@H+](C)[C@H](C)C2)OCCc2ccccc21 ZINC000289947693 404011660 /nfs/dbraw/zinc/01/16/60/404011660.db2.gz WGTMJHCSPUHQRJ-AYBZRNKSSA-N 1 3 318.461 2.173 20 0 DEADHO COC[C@]1(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)OCCc2ccccc21 ZINC000289947693 404011665 /nfs/dbraw/zinc/01/16/65/404011665.db2.gz WGTMJHCSPUHQRJ-AYBZRNKSSA-N 1 3 318.461 2.173 20 0 DEADHO COC[C@]1(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)OCCc2ccccc21 ZINC000289947710 404011907 /nfs/dbraw/zinc/01/19/07/404011907.db2.gz WGTMJHCSPUHQRJ-WDYCEAGBSA-N 1 3 318.461 2.173 20 0 DEADHO COC[C@]1(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)OCCc2ccccc21 ZINC000289947710 404011910 /nfs/dbraw/zinc/01/19/10/404011910.db2.gz WGTMJHCSPUHQRJ-WDYCEAGBSA-N 1 3 318.461 2.173 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NC[C@@H](c2ccccc2)N(C)C)CCC[N@@H+]1C ZINC000344293692 404035707 /nfs/dbraw/zinc/03/57/07/404035707.db2.gz PAPIGVAPWMQVLW-PVAVHDDUSA-N 1 3 318.465 2.071 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NC[C@@H](c2ccccc2)N(C)C)CCC[N@H+]1C ZINC000344293692 404035713 /nfs/dbraw/zinc/03/57/13/404035713.db2.gz PAPIGVAPWMQVLW-PVAVHDDUSA-N 1 3 318.465 2.071 20 0 DEADHO CCC[NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000296072524 404079861 /nfs/dbraw/zinc/07/98/61/404079861.db2.gz PWFXYXKKYDMFEZ-AWEZNQCLSA-N 1 3 307.438 2.262 20 0 DEADHO C[C@H](CC(N)=O)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000290200238 404079926 /nfs/dbraw/zinc/07/99/26/404079926.db2.gz PBBDZRRRAVHRIW-WBVHZDCISA-N 1 3 303.450 2.142 20 0 DEADHO C[C@H](CC(N)=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000290200238 404079930 /nfs/dbraw/zinc/07/99/30/404079930.db2.gz PBBDZRRRAVHRIW-WBVHZDCISA-N 1 3 303.450 2.142 20 0 DEADHO C[C@H](CC(N)=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290200238 404079934 /nfs/dbraw/zinc/07/99/34/404079934.db2.gz PBBDZRRRAVHRIW-WBVHZDCISA-N 1 3 303.450 2.142 20 0 DEADHO Cc1cc(NC(=O)C2(N)CCC2)ccc1OCC[NH+]1CCCC1 ZINC000296074496 404080964 /nfs/dbraw/zinc/08/09/64/404080964.db2.gz QBQHSGWULCQAOV-UHFFFAOYSA-N 1 3 317.433 2.290 20 0 DEADHO CC(C)(CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCCCC1 ZINC000337542945 404088944 /nfs/dbraw/zinc/08/89/44/404088944.db2.gz KMBRBSNBUARXJX-HZPDHXFCSA-N 1 3 322.497 2.177 20 0 DEADHO CC(C)(CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCCCC1 ZINC000337542945 404088954 /nfs/dbraw/zinc/08/89/54/404088954.db2.gz KMBRBSNBUARXJX-HZPDHXFCSA-N 1 3 322.497 2.177 20 0 DEADHO COC(=O)CCC[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000369302079 404038512 /nfs/dbraw/zinc/03/85/12/404038512.db2.gz IBALXRYFCQRBBC-CALCHBBNSA-N 1 3 302.418 2.003 20 0 DEADHO COC(=O)CCC[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000369302079 404038517 /nfs/dbraw/zinc/03/85/17/404038517.db2.gz IBALXRYFCQRBBC-CALCHBBNSA-N 1 3 302.418 2.003 20 0 DEADHO Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCN(C3CC3)C2)c(C)c1 ZINC000321072846 404073264 /nfs/dbraw/zinc/07/32/64/404073264.db2.gz PZBWASUTXNQJAR-AEFFLSMTSA-N 1 3 318.461 2.117 20 0 DEADHO Cc1ccc(OC[C@@H](O)CNC[C@H]2CC[N@@H+](C3CC3)C2)c(C)c1 ZINC000321072846 404073273 /nfs/dbraw/zinc/07/32/73/404073273.db2.gz PZBWASUTXNQJAR-AEFFLSMTSA-N 1 3 318.461 2.117 20 0 DEADHO Cc1ccc(OC[C@@H](O)CNC[C@H]2CC[N@H+](C3CC3)C2)c(C)c1 ZINC000321072846 404073291 /nfs/dbraw/zinc/07/32/91/404073291.db2.gz PZBWASUTXNQJAR-AEFFLSMTSA-N 1 3 318.461 2.117 20 0 DEADHO CC(C)[C@@H](C[N@@H+]1CC[C@@H](N2CCNCC2)C1)c1ccccc1 ZINC000348972474 404113783 /nfs/dbraw/zinc/11/37/83/404113783.db2.gz DPXJCPVLZLCVHQ-RTBURBONSA-N 1 3 301.478 2.406 20 0 DEADHO CC(C)[C@@H](C[N@H+]1CC[C@@H](N2CCNCC2)C1)c1ccccc1 ZINC000348972474 404113787 /nfs/dbraw/zinc/11/37/87/404113787.db2.gz DPXJCPVLZLCVHQ-RTBURBONSA-N 1 3 301.478 2.406 20 0 DEADHO CN1CCC(O)(C[NH2+]Cc2cccc(-c3ccncc3)c2)CC1 ZINC000344535823 404212099 /nfs/dbraw/zinc/21/20/99/404212099.db2.gz WARIUALBKARYIY-UHFFFAOYSA-N 1 3 311.429 2.295 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NCC1([NH+](C)C)CCCC1 ZINC000349788088 404200873 /nfs/dbraw/zinc/20/08/73/404200873.db2.gz WHJSXJTVCOHDJQ-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000344530923 404208647 /nfs/dbraw/zinc/20/86/47/404208647.db2.gz BNJYKCXXOHZWEB-YESZJQIVSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000344530923 404208650 /nfs/dbraw/zinc/20/86/50/404208650.db2.gz BNJYKCXXOHZWEB-YESZJQIVSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCN(C)CC2)C1 ZINC000349937753 404266045 /nfs/dbraw/zinc/26/60/45/404266045.db2.gz ODAKEQSAGZTWNJ-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCN(C)CC2)C1 ZINC000349937753 404266054 /nfs/dbraw/zinc/26/60/54/404266054.db2.gz ODAKEQSAGZTWNJ-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)N1CCCCC1 ZINC000352322291 404288141 /nfs/dbraw/zinc/28/81/41/404288141.db2.gz KTCWNFSHHRVJBF-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000355442619 404335083 /nfs/dbraw/zinc/33/50/83/404335083.db2.gz DWXFEAUARXVAEK-IAGOWNOFSA-N 1 3 322.497 2.177 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000355442619 404335089 /nfs/dbraw/zinc/33/50/89/404335089.db2.gz DWXFEAUARXVAEK-IAGOWNOFSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@H]1CCN(C)CCN1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338540676 404390784 /nfs/dbraw/zinc/39/07/84/404390784.db2.gz UKOUOVRHOCUKLU-INIZCTEOSA-N 1 3 315.461 2.449 20 0 DEADHO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H](C)NC1CC1 ZINC000297044555 404424703 /nfs/dbraw/zinc/42/47/03/404424703.db2.gz YEUXKLVPMVXOQO-AWEZNQCLSA-N 1 3 319.449 2.486 20 0 DEADHO CC(C)(C)O[C@@H]1C[C@@H](NC[C@H](O)C[NH+]2CCCCC2)C1(C)C ZINC000414067581 404503289 /nfs/dbraw/zinc/50/32/89/404503289.db2.gz JCGVROGVDJDNEH-ARFHVFGLSA-N 1 3 312.498 2.405 20 0 DEADHO COc1ccc(C[C@@H](C)NC2CC[NH+](CC3CC3)CC2)cn1 ZINC000414078854 404506535 /nfs/dbraw/zinc/50/65/35/404506535.db2.gz SGTWJTIBCYNNAY-CQSZACIVSA-N 1 3 303.450 2.485 20 0 DEADHO Cn1cnc(CCNCC(C)(C)C[N@H+](C)Cc2ccccc2)n1 ZINC000344902963 404436212 /nfs/dbraw/zinc/43/62/12/404436212.db2.gz JZQDTKOWAQBERA-UHFFFAOYSA-N 1 3 315.465 2.105 20 0 DEADHO Cn1cnc(CCNCC(C)(C)C[N@@H+](C)Cc2ccccc2)n1 ZINC000344902963 404436218 /nfs/dbraw/zinc/43/62/18/404436218.db2.gz JZQDTKOWAQBERA-UHFFFAOYSA-N 1 3 315.465 2.105 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2)c1ccccc1 ZINC000364561122 404448872 /nfs/dbraw/zinc/44/88/72/404448872.db2.gz MYGYCBMXJRAIKL-SCTDSRPQSA-N 1 3 315.461 2.185 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H]1CCCN1C ZINC000338757027 404524659 /nfs/dbraw/zinc/52/46/59/404524659.db2.gz JLVDLIAERIOKIU-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H]1CCCN1C ZINC000338757027 404524670 /nfs/dbraw/zinc/52/46/70/404524670.db2.gz JLVDLIAERIOKIU-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccccc1 ZINC000414183453 404539689 /nfs/dbraw/zinc/53/96/89/404539689.db2.gz DWQFDTNQJXNZBY-KRWDZBQOSA-N 1 3 317.477 2.134 20 0 DEADHO CCC[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)C1CCC1 ZINC000414183436 404540548 /nfs/dbraw/zinc/54/05/48/404540548.db2.gz DUPNPZYUXHCPTH-GOSISDBHSA-N 1 3 323.525 2.341 20 0 DEADHO C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000342409280 404559963 /nfs/dbraw/zinc/55/99/63/404559963.db2.gz AQFQRZKDNKOYLE-NJAFHUGGSA-N 1 3 319.493 2.479 20 0 DEADHO C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000342409280 404559970 /nfs/dbraw/zinc/55/99/70/404559970.db2.gz AQFQRZKDNKOYLE-NJAFHUGGSA-N 1 3 319.493 2.479 20 0 DEADHO C[C@@H]1C[C@@H](C)CN(C(C)(C)C[NH2+]Cc2cnc(N(C)C)n2C)C1 ZINC000414325728 404579031 /nfs/dbraw/zinc/57/90/31/404579031.db2.gz XMSCVASHZGGULH-HUUCEWRRSA-N 1 3 321.513 2.332 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H](c2ccc(F)cc2)N2CCOCC2)C1 ZINC000567487751 292318027 /nfs/dbraw/zinc/31/80/27/292318027.db2.gz YXQOBZJMGBENIY-KURKYZTESA-N 1 3 321.440 2.059 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000342494630 404614559 /nfs/dbraw/zinc/61/45/59/404614559.db2.gz UBSBQJJGDLQHME-GOSISDBHSA-N 1 3 317.477 2.281 20 0 DEADHO C[C@H]1C[C@H]1C[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414561780 404682635 /nfs/dbraw/zinc/68/26/35/404682635.db2.gz ZTTWBNZPTIEQBS-KSSFIOAISA-N 1 3 315.461 2.130 20 0 DEADHO Cc1nn(C)c2ncc(CN3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc12 ZINC000414785589 404734537 /nfs/dbraw/zinc/73/45/37/404734537.db2.gz SVIPQOCZCNRGDE-HZPDHXFCSA-N 1 3 313.449 2.098 20 0 DEADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@H](C[NH3+])C1CC1 ZINC000414807890 404739189 /nfs/dbraw/zinc/73/91/89/404739189.db2.gz RRLIVQCBNOINPG-BLLLJJGKSA-N 1 3 323.868 2.404 20 0 DEADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@H](C[NH3+])C1CC1 ZINC000414806495 404739320 /nfs/dbraw/zinc/73/93/20/404739320.db2.gz QLTIWOLZVXXOLE-MLGOLLRUSA-N 1 3 323.868 2.404 20 0 DEADHO C[NH2+]C[C@H](C)CNCc1ccccc1N(C)C1CCN(C)CC1 ZINC000414834786 404744618 /nfs/dbraw/zinc/74/46/18/404744618.db2.gz HSBVZTVFGDNRAX-INIZCTEOSA-N 1 3 318.509 2.162 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000414839442 404746198 /nfs/dbraw/zinc/74/61/98/404746198.db2.gz XMKMIKZGAAPSJH-UONOGXRCSA-N 1 3 305.422 2.002 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCNC2)cc1 ZINC000414839442 404746201 /nfs/dbraw/zinc/74/62/01/404746201.db2.gz XMKMIKZGAAPSJH-UONOGXRCSA-N 1 3 305.422 2.002 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)C(N)C(F)(F)F)c1ccccc1 ZINC000353134377 404751134 /nfs/dbraw/zinc/75/11/34/404751134.db2.gz VMEJGDAFPNYVCY-QWHCGFSZSA-N 1 3 317.355 2.075 20 0 DEADHO C[C@]1(C[NH2+]C2CCN(CCC(F)(F)F)CC2)CCCNC1 ZINC000414903569 404762263 /nfs/dbraw/zinc/76/22/63/404762263.db2.gz IPCNWWLIRGLHBW-AWEZNQCLSA-N 1 3 307.404 2.383 20 0 DEADHO C[C@@H]1CCNC[C@@H]1[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000414931119 404768711 /nfs/dbraw/zinc/76/87/11/404768711.db2.gz PNYRWOZTURIIBJ-APWZRJJASA-N 1 3 301.478 2.281 20 0 DEADHO CC1([NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)CCNCC1 ZINC000414930905 404769222 /nfs/dbraw/zinc/76/92/22/404769222.db2.gz BMPNWCNGPAMEJZ-QGZVFWFLSA-N 1 3 304.434 2.476 20 0 DEADHO Cc1ccc(C[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C(C)C)s1 ZINC000414688599 404708732 /nfs/dbraw/zinc/70/87/32/404708732.db2.gz JLGJWXJKRYTDFK-OAHLLOKOSA-N 1 3 323.506 2.464 20 0 DEADHO Cc1ccc(C[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C(C)C)s1 ZINC000414688599 404708737 /nfs/dbraw/zinc/70/87/37/404708737.db2.gz JLGJWXJKRYTDFK-OAHLLOKOSA-N 1 3 323.506 2.464 20 0 DEADHO CCN(CC(=O)Nc1cccc(OC)c1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414709136 404713183 /nfs/dbraw/zinc/71/31/83/404713183.db2.gz RAZWCKINBUQHRW-HUUCEWRRSA-N 1 3 319.449 2.344 20 0 DEADHO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414708627 404713312 /nfs/dbraw/zinc/71/33/12/404713312.db2.gz QESZTKKLMUUDNG-NUJGCVRESA-N 1 3 315.461 2.062 20 0 DEADHO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414708627 404713316 /nfs/dbraw/zinc/71/33/16/404713316.db2.gz QESZTKKLMUUDNG-NUJGCVRESA-N 1 3 315.461 2.062 20 0 DEADHO C[C@@H]1C[C@@H](CN(C)[C@@H]2CCN(c3ccccc3F)C2=O)CC[NH2+]1 ZINC000414745810 404722678 /nfs/dbraw/zinc/72/26/78/404722678.db2.gz RKQWFARWJSYDSQ-JKIFEVAISA-N 1 3 319.424 2.251 20 0 DEADHO COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@]1(COC)CCCN1 ZINC000414936313 404770513 /nfs/dbraw/zinc/77/05/13/404770513.db2.gz BYIFHHHBXTZTRW-ZWKOTPCHSA-N 1 3 324.440 2.132 20 0 DEADHO Cc1ccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(C)c1 ZINC000414988655 404781663 /nfs/dbraw/zinc/78/16/63/404781663.db2.gz PQBBKZPJILNEOJ-HNNXBMFYSA-N 1 3 315.383 2.229 20 0 DEADHO C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000415013582 404788097 /nfs/dbraw/zinc/78/80/97/404788097.db2.gz YMPUTCOVCGGINO-UWWQBHOKSA-N 1 3 316.424 2.394 20 0 DEADHO C[C@H](Cn1cccn1)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415013582 404788100 /nfs/dbraw/zinc/78/81/00/404788100.db2.gz YMPUTCOVCGGINO-UWWQBHOKSA-N 1 3 316.424 2.394 20 0 DEADHO [NH3+]C[C@H]1CC[C@@H](NCc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC000415046885 404795434 /nfs/dbraw/zinc/79/54/34/404795434.db2.gz VMGRBASXFCZWMV-WDEREUQCSA-N 1 3 323.803 2.277 20 0 DEADHO CSc1cc(C)ccc1C[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000415079215 404801915 /nfs/dbraw/zinc/80/19/15/404801915.db2.gz HPOZIVDIHSHACV-AWEZNQCLSA-N 1 3 321.490 2.004 20 0 DEADHO NCC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC000415081216 404802723 /nfs/dbraw/zinc/80/27/23/404802723.db2.gz KBQBDWRQZQEZSZ-MLGOLLRUSA-N 1 3 321.852 2.114 20 0 DEADHO CC(C)C[C@@H]([NH3+])CNCCc1nccn1Cc1ccccc1 ZINC000415085639 404803770 /nfs/dbraw/zinc/80/37/70/404803770.db2.gz QXWNZTAEOGJMHM-QGZVFWFLSA-N 1 3 300.450 2.437 20 0 DEADHO CC(C)C[C@@H](N)C[NH2+]CCc1nccn1Cc1ccccc1 ZINC000415085639 404803773 /nfs/dbraw/zinc/80/37/73/404803773.db2.gz QXWNZTAEOGJMHM-QGZVFWFLSA-N 1 3 300.450 2.437 20 0 DEADHO [NH3+]CC1(O)CCN(Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000415135691 404816631 /nfs/dbraw/zinc/81/66/31/404816631.db2.gz BHAXVDGOGCXVRQ-UHFFFAOYSA-N 1 3 320.824 2.016 20 0 DEADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000423839729 404884168 /nfs/dbraw/zinc/88/41/68/404884168.db2.gz JSJCFOAQEODOSY-IRXDYDNUSA-N 1 3 317.477 2.403 20 0 DEADHO CCC(CC)(C[NH3+])NC(=O)Nc1ccccc1CCN(C)C ZINC000415566641 404885876 /nfs/dbraw/zinc/88/58/76/404885876.db2.gz JCVTZJCOCIBTKO-UHFFFAOYSA-N 1 3 306.454 2.430 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000378207071 404893621 /nfs/dbraw/zinc/89/36/21/404893621.db2.gz QQSPLUUSMNUHDD-NXHRZFHOSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C23CCCN2CCC3)C1 ZINC000377633753 404841396 /nfs/dbraw/zinc/84/13/96/404841396.db2.gz LJBMDQBDFFKQIM-HZPDHXFCSA-N 1 3 307.482 2.099 20 0 DEADHO C[NH+]1CCC2(CCCN(CC(=O)NCc3ccccc3)C2)CC1 ZINC000366868500 404861407 /nfs/dbraw/zinc/86/14/07/404861407.db2.gz YEHPPKBIEHIKBD-UHFFFAOYSA-N 1 3 315.461 2.111 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)N[C@H](C[NH3+])C2CCCC2)cc1 ZINC000416897369 404955049 /nfs/dbraw/zinc/95/50/49/404955049.db2.gz XPTQVOSRPUPKEA-QGZVFWFLSA-N 1 3 318.465 2.065 20 0 DEADHO COc1cccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000378309867 404924541 /nfs/dbraw/zinc/92/45/41/404924541.db2.gz BZZWYQZZGUFMQF-APWZRJJASA-N 1 3 317.477 2.153 20 0 DEADHO COc1cccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000378309867 404924550 /nfs/dbraw/zinc/92/45/50/404924550.db2.gz BZZWYQZZGUFMQF-APWZRJJASA-N 1 3 317.477 2.153 20 0 DEADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC000353704972 404931481 /nfs/dbraw/zinc/93/14/81/404931481.db2.gz GTNVNGIDDBXQFQ-FUHWJXTLSA-N 1 3 319.493 2.051 20 0 DEADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC000353704972 404931486 /nfs/dbraw/zinc/93/14/86/404931486.db2.gz GTNVNGIDDBXQFQ-FUHWJXTLSA-N 1 3 319.493 2.051 20 0 DEADHO C[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCCCCC2)[C@@H](C)CN1 ZINC000416848061 404934682 /nfs/dbraw/zinc/93/46/82/404934682.db2.gz KYPDXFGLYLOAPY-CABCVRRESA-N 1 3 310.486 2.033 20 0 DEADHO CCN1CCC(NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000416858750 404939647 /nfs/dbraw/zinc/93/96/47/404939647.db2.gz SXDRMNXBKDNGIO-KRWDZBQOSA-N 1 3 318.465 2.250 20 0 DEADHO CCN(Cc1ccc(C(=O)N(C)[C@H](C[NH3+])C2CC2)cc1)C1CC1 ZINC000423957172 404946968 /nfs/dbraw/zinc/94/69/68/404946968.db2.gz UJCFRZSCKZZYNM-GOSISDBHSA-N 1 3 315.461 2.480 20 0 DEADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCCNCC1 ZINC000416882879 404948772 /nfs/dbraw/zinc/94/87/72/404948772.db2.gz AOKSYJAJAIHLJO-UHFFFAOYSA-N 1 3 318.465 2.033 20 0 DEADHO C[NH2+]CCC1CCN(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)CC1 ZINC000417015896 405003199 /nfs/dbraw/zinc/00/31/99/405003199.db2.gz NFVRYNBWTSQSSL-CVEARBPZSA-N 1 3 324.513 2.138 20 0 DEADHO CO[C@@H]1CCN(C[C@@H](C)C[N@@H+]2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000451557842 405012223 /nfs/dbraw/zinc/01/22/23/405012223.db2.gz FLINDWXAOJXIKU-PECIQYQJSA-N 1 3 312.498 2.336 20 0 DEADHO CO[C@@H]1CCN(C[C@@H](C)C[N@H+]2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000451557842 405012226 /nfs/dbraw/zinc/01/22/26/405012226.db2.gz FLINDWXAOJXIKU-PECIQYQJSA-N 1 3 312.498 2.336 20 0 DEADHO CO[C@@H]1CC[N@@H+](C[C@@H](C)CN2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000451557842 405012230 /nfs/dbraw/zinc/01/22/30/405012230.db2.gz FLINDWXAOJXIKU-PECIQYQJSA-N 1 3 312.498 2.336 20 0 DEADHO CO[C@@H]1CC[N@H+](C[C@@H](C)CN2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000451557842 405012235 /nfs/dbraw/zinc/01/22/35/405012235.db2.gz FLINDWXAOJXIKU-PECIQYQJSA-N 1 3 312.498 2.336 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000417051188 405019322 /nfs/dbraw/zinc/01/93/22/405019322.db2.gz YYNPGQHCDZPNMT-PMPSAXMXSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000417051188 405019326 /nfs/dbraw/zinc/01/93/26/405019326.db2.gz YYNPGQHCDZPNMT-PMPSAXMXSA-N 1 3 310.486 2.033 20 0 DEADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000568288819 292329849 /nfs/dbraw/zinc/32/98/49/292329849.db2.gz KUFWPGKHGJYFPD-HOTGVXAUSA-N 1 3 312.502 2.122 20 0 DEADHO CN(C)[C@H](CC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000416126520 405029407 /nfs/dbraw/zinc/02/94/07/405029407.db2.gz BSNYOCDXXWZWAD-MAUKXSAKSA-N 1 3 315.461 2.280 20 0 DEADHO CN(C)[C@H](CC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000416126520 405029413 /nfs/dbraw/zinc/02/94/13/405029413.db2.gz BSNYOCDXXWZWAD-MAUKXSAKSA-N 1 3 315.461 2.280 20 0 DEADHO CC[NH2+]Cc1ccccc1NC(=O)N1CCN(C)CC[C@@H]1C ZINC000415930095 404973942 /nfs/dbraw/zinc/97/39/42/404973942.db2.gz JERUNBPOIQOBGD-AWEZNQCLSA-N 1 3 304.438 2.354 20 0 DEADHO COC1CCN(C(C)(C)C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)CC1 ZINC000361209250 404974703 /nfs/dbraw/zinc/97/47/03/404974703.db2.gz RQIRJTGMBWISBU-BFYDXBDKSA-N 1 3 311.514 2.194 20 0 DEADHO CN1CCC[C@H](CNC(=O)NC(C)(C)C[NH3+])[C@@H]1c1cccs1 ZINC000417736483 405095068 /nfs/dbraw/zinc/09/50/68/405095068.db2.gz MTIUHTLAIXDMTA-TZMCWYRMSA-N 1 3 324.494 2.168 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1(C[NH3+])CCCC1 ZINC000389943795 405041899 /nfs/dbraw/zinc/04/18/99/405041899.db2.gz PRDFQGIXUVFKJV-RDJZCZTQSA-N 1 3 315.461 2.142 20 0 DEADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)[C@H]1CCCCC[NH2+]1 ZINC000390755582 405047761 /nfs/dbraw/zinc/04/77/61/405047761.db2.gz VRJMUZIMBMIUJP-QZTJIDSGSA-N 1 3 315.461 2.299 20 0 DEADHO Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2CCCN2C2CCOCC2)c1 ZINC000424252812 405048918 /nfs/dbraw/zinc/04/89/18/405048918.db2.gz ZLVHIVNIHUMCLC-KRWDZBQOSA-N 1 3 317.433 2.036 20 0 DEADHO Cc1cccc(CNC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424290622 405059227 /nfs/dbraw/zinc/05/92/27/405059227.db2.gz NAPFYBMFHJIOCU-MRXNPFEDSA-N 1 3 315.461 2.075 20 0 DEADHO Cn1cc([C@H]2CC[N@H+](C[C@@H](CN)c3ccc(F)cc3)C2)cn1 ZINC000424305691 405064165 /nfs/dbraw/zinc/06/41/65/405064165.db2.gz SWPIFPSUCAGHCJ-LSDHHAIUSA-N 1 3 302.397 2.091 20 0 DEADHO Cn1cc([C@H]2CC[N@@H+](C[C@@H](CN)c3ccc(F)cc3)C2)cn1 ZINC000424305691 405064170 /nfs/dbraw/zinc/06/41/70/405064170.db2.gz SWPIFPSUCAGHCJ-LSDHHAIUSA-N 1 3 302.397 2.091 20 0 DEADHO Cn1cc([C@H]2CCN(C[C@@H](C[NH3+])c3ccc(F)cc3)C2)cn1 ZINC000424305691 405064175 /nfs/dbraw/zinc/06/41/75/405064175.db2.gz SWPIFPSUCAGHCJ-LSDHHAIUSA-N 1 3 302.397 2.091 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000417218612 405066114 /nfs/dbraw/zinc/06/61/14/405066114.db2.gz HFWWLEAACBSSJK-VYDXJSESSA-N 1 3 318.465 2.249 20 0 DEADHO Cc1nc(COc2ccc(C[NH2+][C@@H]3CCCC[C@H]3N)cc2)no1 ZINC000424377367 405076993 /nfs/dbraw/zinc/07/69/93/405076993.db2.gz MAIINLDQFRXTIQ-HZPDHXFCSA-N 1 3 316.405 2.317 20 0 DEADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)N(C)C1CC1 ZINC000361512023 405109714 /nfs/dbraw/zinc/10/97/14/405109714.db2.gz WOCZWKOCVFRVOJ-LSDHHAIUSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)N(C)C1CC1 ZINC000361512023 405109720 /nfs/dbraw/zinc/10/97/20/405109720.db2.gz WOCZWKOCVFRVOJ-LSDHHAIUSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)NC2(C)CC[NH2+]CC2)cc1 ZINC000418360690 405123817 /nfs/dbraw/zinc/12/38/17/405123817.db2.gz SWFLFEUPNNYQPW-MRXNPFEDSA-N 1 3 318.465 2.251 20 0 DEADHO N[C@H]1CCC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000568415201 292340267 /nfs/dbraw/zinc/34/02/67/292340267.db2.gz KYIYDCKWVJKXNX-DOTOQJQBSA-N 1 3 301.434 2.151 20 0 DEADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCN2CCCOCC2)CC1 ZINC000368050964 405222899 /nfs/dbraw/zinc/22/28/99/405222899.db2.gz IZFLDFYGFXQRCF-IEBWSBKVSA-N 1 3 323.525 2.341 20 0 DEADHO CN(C)CCOc1ccc(CC[NH2+]CC[C@@H]2CCOC2)cc1 ZINC000438219495 405238147 /nfs/dbraw/zinc/23/81/47/405238147.db2.gz MDBGSOFXOIASDF-QGZVFWFLSA-N 1 3 306.450 2.186 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)CN1[C@H](C)CC[C@H]1C ZINC000439706091 405289457 /nfs/dbraw/zinc/28/94/57/405289457.db2.gz VQPRVHDAALEJKC-BRWVUGGUSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)CN1[C@H](C)CC[C@H]1C ZINC000439706091 405289459 /nfs/dbraw/zinc/28/94/59/405289459.db2.gz VQPRVHDAALEJKC-BRWVUGGUSA-N 1 3 309.498 2.486 20 0 DEADHO Cc1cccc(NC(=O)[C@@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420323954 405319444 /nfs/dbraw/zinc/31/94/44/405319444.db2.gz AHJQJINZCMDVET-OAGGEKHMSA-N 1 3 301.434 2.253 20 0 DEADHO COc1ccc([C@@H](C[NH3+])CN2CCC(c3ncc[nH]3)CC2)cc1 ZINC000420326101 405320303 /nfs/dbraw/zinc/32/03/03/405320303.db2.gz XAZNOZKOKJUPPN-INIZCTEOSA-N 1 3 314.433 2.340 20 0 DEADHO COc1ccc([C@@H](CN)C[NH+]2CCC(c3ncc[nH]3)CC2)cc1 ZINC000420326101 405320304 /nfs/dbraw/zinc/32/03/04/405320304.db2.gz XAZNOZKOKJUPPN-INIZCTEOSA-N 1 3 314.433 2.340 20 0 DEADHO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329427 405321323 /nfs/dbraw/zinc/32/13/23/405321323.db2.gz GTIJFMXNVAWXBS-SUMCQTLJSA-N 1 3 321.509 2.247 20 0 DEADHO C[C@H]1CCCC[C@@H]1OCCN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420333608 405323371 /nfs/dbraw/zinc/32/33/71/405323371.db2.gz OEZQTJYDPRODCU-RANZSIQMSA-N 1 3 310.482 2.410 20 0 DEADHO CCN(C(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)C1CCCCC1 ZINC000420335422 405323962 /nfs/dbraw/zinc/32/39/62/405323962.db2.gz HIOWNQLEMNHOHE-IAGOWNOFSA-N 1 3 321.509 2.489 20 0 DEADHO Cc1cccc(C)c1OCCCN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420348126 405327710 /nfs/dbraw/zinc/32/77/10/405327710.db2.gz JRJOKKRLSHMTQF-GOSISDBHSA-N 1 3 317.477 2.052 20 0 DEADHO Fc1ccc2c(c1)[C@H](N1CC[C@@H](N3CC[NH2+]CC3)C1)CCC2 ZINC000420351585 405329203 /nfs/dbraw/zinc/32/92/03/405329203.db2.gz XKLRTUYMHIGDBN-SJLPKXTDSA-N 1 3 303.425 2.183 20 0 DEADHO Fc1cccc(CN2CCN(CCC3CC[NH2+]CC3)CC2)c1 ZINC000420362432 405331977 /nfs/dbraw/zinc/33/19/77/405331977.db2.gz OHPOZDJBMXTQRD-UHFFFAOYSA-N 1 3 305.441 2.333 20 0 DEADHO [NH3+]CCOCCN1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000420362138 405332551 /nfs/dbraw/zinc/33/25/51/405332551.db2.gz ALLZWPKBCLELIA-ZDUSSCGKSA-N 1 3 309.479 2.177 20 0 DEADHO CN1CCN(CC[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC1(C)C ZINC000442869519 405337280 /nfs/dbraw/zinc/33/72/80/405337280.db2.gz DNUMJWHPSDYJOF-KRWDZBQOSA-N 1 3 321.896 2.423 20 0 DEADHO [NH3+]CC[C@H]1CCCN(CC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000443060424 405338109 /nfs/dbraw/zinc/33/81/09/405338109.db2.gz PGNJRMUNDPBNOF-QAPCUYQASA-N 1 3 315.461 2.241 20 0 DEADHO C[C@@H](C(=O)NCCN1CCCC(C)(C)C1)[NH+]1CCCCCC1 ZINC000444605696 405341458 /nfs/dbraw/zinc/34/14/58/405341458.db2.gz DAHQHGICYNLXRU-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)N1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000439834697 405293626 /nfs/dbraw/zinc/29/36/26/405293626.db2.gz WAYNCFLPXRJXBE-QGZVFWFLSA-N 1 3 307.482 2.336 20 0 DEADHO CC(C)N1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000439834697 405293628 /nfs/dbraw/zinc/29/36/28/405293628.db2.gz WAYNCFLPXRJXBE-QGZVFWFLSA-N 1 3 307.482 2.336 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000440286822 405308012 /nfs/dbraw/zinc/30/80/12/405308012.db2.gz YTLJFLNBDUPORF-UAGQMJEPSA-N 1 3 307.482 2.382 20 0 DEADHO CN(C[C@H]1CCCN1C)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000420760310 405379817 /nfs/dbraw/zinc/37/98/17/405379817.db2.gz JXPNPWDQBCNWQV-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H]1[C@H](NC(=O)Nc2ccccc2CC[NH+](C)C)CCCN1C ZINC000446569539 405384847 /nfs/dbraw/zinc/38/48/47/405384847.db2.gz PBVQVTFDABCMHE-GDBMZVCRSA-N 1 3 318.465 2.395 20 0 DEADHO CC[NH+]1CCC(N2CCCN(CCc3cscn3)CC2)CC1 ZINC000420982920 405420702 /nfs/dbraw/zinc/42/07/02/405420702.db2.gz PXFXGSOWYBRPLU-UHFFFAOYSA-N 1 3 322.522 2.178 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448519786 405421528 /nfs/dbraw/zinc/42/15/28/405421528.db2.gz KYCLYFIRUKGLLJ-UIBIWLFHSA-N 1 3 319.493 2.335 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448519786 405421530 /nfs/dbraw/zinc/42/15/30/405421530.db2.gz KYCLYFIRUKGLLJ-UIBIWLFHSA-N 1 3 319.493 2.335 20 0 DEADHO COc1ccc(NC(=O)CCN(C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000430558399 405456598 /nfs/dbraw/zinc/45/65/98/405456598.db2.gz AKZJZPLCLARYSP-INIZCTEOSA-N 1 3 307.438 2.329 20 0 DEADHO C[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)N(C)C ZINC000455858213 405456625 /nfs/dbraw/zinc/45/66/25/405456625.db2.gz PBMXVDHIKHTKKC-LRDDRELGSA-N 1 3 304.438 2.307 20 0 DEADHO CN(CCC(=O)N[C@H]1CCCc2ccccc21)CC(C)(C)C[NH3+] ZINC000430561201 405457345 /nfs/dbraw/zinc/45/73/45/405457345.db2.gz KFTCDBSRMDAEDA-KRWDZBQOSA-N 1 3 317.477 2.487 20 0 DEADHO C[N@H+](CCC(=O)N[C@H]1CCCc2ccccc21)CC(C)(C)CN ZINC000430561201 405457346 /nfs/dbraw/zinc/45/73/46/405457346.db2.gz KFTCDBSRMDAEDA-KRWDZBQOSA-N 1 3 317.477 2.487 20 0 DEADHO C[N@@H+](CCC(=O)N[C@H]1CCCc2ccccc21)CC(C)(C)CN ZINC000430561201 405457349 /nfs/dbraw/zinc/45/73/49/405457349.db2.gz KFTCDBSRMDAEDA-KRWDZBQOSA-N 1 3 317.477 2.487 20 0 DEADHO CN1CCC[C@@H]1CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455918294 405461558 /nfs/dbraw/zinc/46/15/58/405461558.db2.gz LAMLVXVOMWCKEZ-WBVHZDCISA-N 1 3 316.449 2.451 20 0 DEADHO CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CCC(C[NH3+])CC1 ZINC000430607240 405466102 /nfs/dbraw/zinc/46/61/02/405466102.db2.gz BRLIDPBVCYOHOI-MRXNPFEDSA-N 1 3 305.422 2.083 20 0 DEADHO CC[C@H]1CCCCN1C(=O)[C@H](C)N1CCC2(CC[NH2+]C2)CC1 ZINC000431014409 405561924 /nfs/dbraw/zinc/56/19/24/405561924.db2.gz NJDPAKMPFWKQEX-HOTGVXAUSA-N 1 3 307.482 2.242 20 0 DEADHO O=C(N[C@@H]1CCN(CC2CCCC2)C1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000430781000 405507996 /nfs/dbraw/zinc/50/79/96/405507996.db2.gz QVICZUZFYSMYPX-BDXSIMOUSA-N 1 3 319.493 2.288 20 0 DEADHO COc1ccc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1O ZINC000556963699 405565344 /nfs/dbraw/zinc/56/53/44/405565344.db2.gz YGEXKGSKKUQKDQ-MAUKXSAKSA-N 1 3 320.433 2.119 20 0 DEADHO C[NH2+]CC1CCN(CCC(=O)Nc2ccc(C(C)=O)cc2)CC1 ZINC000430936763 405535630 /nfs/dbraw/zinc/53/56/30/405535630.db2.gz WRVUIACHJASMIA-UHFFFAOYSA-N 1 3 317.433 2.149 20 0 DEADHO CCO[C@@H]1C[C@@H](NC[C@@H]2CCC[N@@H+](C(C)C)C2)[C@]12CCCO2 ZINC000638566162 405549654 /nfs/dbraw/zinc/54/96/54/405549654.db2.gz CFNNECUCAOGIAF-BSDSXHPESA-N 1 3 310.482 2.423 20 0 DEADHO CCO[C@@H]1C[C@@H](NC[C@@H]2CCC[N@H+](C(C)C)C2)[C@]12CCCO2 ZINC000638566162 405549661 /nfs/dbraw/zinc/54/96/61/405549661.db2.gz CFNNECUCAOGIAF-BSDSXHPESA-N 1 3 310.482 2.423 20 0 DEADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)[C@]12CCCO2 ZINC000638566162 405549670 /nfs/dbraw/zinc/54/96/70/405549670.db2.gz CFNNECUCAOGIAF-BSDSXHPESA-N 1 3 310.482 2.423 20 0 DEADHO [NH3+]CC1(CC(=O)Nc2ccc3c(c2)OCCNC3)CCCCC1 ZINC000638670065 405607065 /nfs/dbraw/zinc/60/70/65/405607065.db2.gz ATSDQTORMNBCFP-UHFFFAOYSA-N 1 3 317.433 2.406 20 0 DEADHO CN1CCC(O)(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)CC1 ZINC000638681263 405614670 /nfs/dbraw/zinc/61/46/70/405614670.db2.gz KWGPMOOBGSNRMS-GJZGRUSLSA-N 1 3 310.482 2.159 20 0 DEADHO C[C@H](CNC1CC[NH+](CC(C)(C)O)CC1)Oc1ccccc1 ZINC000638638349 405587391 /nfs/dbraw/zinc/58/73/91/405587391.db2.gz FCQXSLNLDAJTAI-OAHLLOKOSA-N 1 3 306.450 2.279 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431524810 405638006 /nfs/dbraw/zinc/63/80/06/405638006.db2.gz RCILLHHXWFELBG-IRXDYDNUSA-N 1 3 303.450 2.280 20 0 DEADHO CO[C@](C)(CNC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1CC1 ZINC000638747684 405647311 /nfs/dbraw/zinc/64/73/11/405647311.db2.gz FFKAATFCTQVJIY-KZNAEPCWSA-N 1 3 310.482 2.159 20 0 DEADHO CC(C)(C)[C@H](N)C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000449648319 405657396 /nfs/dbraw/zinc/65/73/96/405657396.db2.gz SLCNXLYDAKLVNL-NUEKZKHPSA-N 1 3 321.440 2.008 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H]2CCCN2C2CC2)C1 ZINC000494310426 405675959 /nfs/dbraw/zinc/67/59/59/405675959.db2.gz KXBRGMUHGDRERP-INMHGKMJSA-N 1 3 307.482 2.097 20 0 DEADHO CNC(=O)C[C@@H](C)NCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000449606409 405637548 /nfs/dbraw/zinc/63/75/48/405637548.db2.gz YSLZJFFRGQSZKE-OAHLLOKOSA-N 1 3 305.466 2.259 20 0 DEADHO CNC(=O)C[C@@H](C)NCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000449606409 405637549 /nfs/dbraw/zinc/63/75/49/405637549.db2.gz YSLZJFFRGQSZKE-OAHLLOKOSA-N 1 3 305.466 2.259 20 0 DEADHO C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCCN2C2CCOCC2)cc1 ZINC000422873110 405689477 /nfs/dbraw/zinc/68/94/77/405689477.db2.gz KAKKBQNUQRVHCI-GUYCJALGSA-N 1 3 317.433 2.288 20 0 DEADHO FC(F)(F)OCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423074985 405699930 /nfs/dbraw/zinc/69/99/30/405699930.db2.gz VWGKQCKVCDORFS-GXTWGEPZSA-N 1 3 316.323 2.368 20 0 DEADHO Cc1ccc(C[C@H](CO)N[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000423060302 405697111 /nfs/dbraw/zinc/69/71/11/405697111.db2.gz ODCIZFLKUWCREB-AHRSYUTCSA-N 1 3 312.457 2.447 20 0 DEADHO Clc1cccc2c1SCC[C@@H]2NCCN1CC[NH2+]CC1 ZINC000423200469 405720868 /nfs/dbraw/zinc/72/08/68/405720868.db2.gz FTLCNTQPXLPZHC-AWEZNQCLSA-N 1 3 311.882 2.372 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCCN2C2CCCC2)CC[N@@H+]1C ZINC000449940187 405721711 /nfs/dbraw/zinc/72/17/11/405721711.db2.gz LJECDIAXZBJAGW-HLLBOEOZSA-N 1 3 307.482 2.382 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCCN2C2CCCC2)CC[N@H+]1C ZINC000449940187 405721716 /nfs/dbraw/zinc/72/17/16/405721716.db2.gz LJECDIAXZBJAGW-HLLBOEOZSA-N 1 3 307.482 2.382 20 0 DEADHO CN(CCN1CCCC1)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000449842946 405716835 /nfs/dbraw/zinc/71/68/35/405716835.db2.gz GASVWNDOQPAPPE-QGZVFWFLSA-N 1 3 307.482 2.338 20 0 DEADHO CN(CCN1CCCC1)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000449842946 405716844 /nfs/dbraw/zinc/71/68/44/405716844.db2.gz GASVWNDOQPAPPE-QGZVFWFLSA-N 1 3 307.482 2.338 20 0 DEADHO CN(C)CCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CCCC1 ZINC000459054393 405718187 /nfs/dbraw/zinc/71/81/87/405718187.db2.gz IDQIOIRDGIKCIG-ZXFUBFMLSA-N 1 3 322.497 2.127 20 0 DEADHO CN(C)CCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCCC1 ZINC000459054393 405718192 /nfs/dbraw/zinc/71/81/92/405718192.db2.gz IDQIOIRDGIKCIG-ZXFUBFMLSA-N 1 3 322.497 2.127 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC(C)(N2CCOCC2)CC1 ZINC000528728193 405726486 /nfs/dbraw/zinc/72/64/86/405726486.db2.gz ZGTJZIPZHNEOOJ-GOSISDBHSA-N 1 3 323.525 2.436 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1CN1CCC(C)(N2CCOCC2)CC1 ZINC000528728193 405726489 /nfs/dbraw/zinc/72/64/89/405726489.db2.gz ZGTJZIPZHNEOOJ-GOSISDBHSA-N 1 3 323.525 2.436 20 0 DEADHO CC(C)N1CCCC[C@@H]1C[NH+]1CCC(C)(N2CCOCC2)CC1 ZINC000528728193 405726492 /nfs/dbraw/zinc/72/64/92/405726492.db2.gz ZGTJZIPZHNEOOJ-GOSISDBHSA-N 1 3 323.525 2.436 20 0 DEADHO COC(=O)COc1ccccc1[C@H](C)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000423268449 405742225 /nfs/dbraw/zinc/74/22/25/405742225.db2.gz DVDJVJXDOYSJMM-OFQRWUPVSA-N 1 3 320.433 2.407 20 0 DEADHO C[C@@H]1CN(C(=O)c2oc3ccccc3c2CN(C)C)C[C@H]1C[NH3+] ZINC000638889831 405743793 /nfs/dbraw/zinc/74/37/93/405743793.db2.gz DJKMNOXTRSUUOB-CHWSQXEVSA-N 1 3 315.417 2.161 20 0 DEADHO C[C@@H](CC(=O)N(C)c1ccccc1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000423324802 405762407 /nfs/dbraw/zinc/76/24/07/405762407.db2.gz IZQYVDGIVWQXCD-YJBOKZPZSA-N 1 3 303.450 2.407 20 0 DEADHO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423324802 405762412 /nfs/dbraw/zinc/76/24/12/405762412.db2.gz IZQYVDGIVWQXCD-YJBOKZPZSA-N 1 3 303.450 2.407 20 0 DEADHO CC(=O)NCCc1ccc([C@H](C)[NH2+][C@@H]2CCN[C@H](C)C2)cc1 ZINC000423364116 405778166 /nfs/dbraw/zinc/77/81/66/405778166.db2.gz ATKYYCOYFCLBRY-QWQRMKEZSA-N 1 3 303.450 2.156 20 0 DEADHO C[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccs1 ZINC000423389970 405786822 /nfs/dbraw/zinc/78/68/22/405786822.db2.gz NWJSAEPOPKGTRS-ZYHUDNBSSA-N 1 3 307.385 2.235 20 0 DEADHO COCCN1CC[C@@H](N[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000423408460 405794747 /nfs/dbraw/zinc/79/47/47/405794747.db2.gz XNDBGODEOJPFQK-RTBURBONSA-N 1 3 313.445 2.150 20 0 DEADHO COCCN1CC[C@@H]([NH2+][C@H](CN)c2ccc3ccccc3c2)C1 ZINC000423408460 405794749 /nfs/dbraw/zinc/79/47/49/405794749.db2.gz XNDBGODEOJPFQK-RTBURBONSA-N 1 3 313.445 2.150 20 0 DEADHO CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000639003709 405815330 /nfs/dbraw/zinc/81/53/30/405815330.db2.gz BXDFCQSVKYFGJG-OIISXLGYSA-N 1 3 303.450 2.059 20 0 DEADHO C[C@@H]1[C@@H](NC[C@@H]2C[NH2+]CCCO2)CCCN1Cc1ccccc1 ZINC000423495243 405825919 /nfs/dbraw/zinc/82/59/19/405825919.db2.gz UFDHQILSSMTOOC-NEWSRXKRSA-N 1 3 317.477 2.008 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H]2NCCCC2(C)C)C1 ZINC000423345829 405769795 /nfs/dbraw/zinc/76/97/95/405769795.db2.gz ZFEPYLZYPWRXFF-OAGGEKHMSA-N 1 3 309.498 2.249 20 0 DEADHO Cn1cc([C@H](N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccccc2)cn1 ZINC000423537560 405847374 /nfs/dbraw/zinc/84/73/74/405847374.db2.gz DCEBEWSLFWNVNF-QFHJOOASSA-N 1 3 310.445 2.487 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000423739819 405938635 /nfs/dbraw/zinc/93/86/35/405938635.db2.gz WEQNLCPKKNMDFJ-AYHJJNSGSA-N 1 3 315.461 2.285 20 0 DEADHO CN(CCC(=O)NCc1ccccc1Cl)C1CC[NH2+]CC1 ZINC000433499335 405954476 /nfs/dbraw/zinc/95/44/76/405954476.db2.gz RTPRVPTXIVJNJL-UHFFFAOYSA-N 1 3 309.841 2.030 20 0 DEADHO C[N@H+](CCC(=O)NCc1ccccc1Cl)C1CCNCC1 ZINC000433499335 405954480 /nfs/dbraw/zinc/95/44/80/405954480.db2.gz RTPRVPTXIVJNJL-UHFFFAOYSA-N 1 3 309.841 2.030 20 0 DEADHO C[N@@H+](CCC(=O)NCc1ccccc1Cl)C1CCNCC1 ZINC000433499335 405954485 /nfs/dbraw/zinc/95/44/85/405954485.db2.gz RTPRVPTXIVJNJL-UHFFFAOYSA-N 1 3 309.841 2.030 20 0 DEADHO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]1CCCCN1 ZINC000423776439 405959647 /nfs/dbraw/zinc/95/96/47/405959647.db2.gz QLMNKXIMCXUSNZ-QGZVFWFLSA-N 1 3 301.434 2.406 20 0 DEADHO C[C@@H](CC(=O)N1CCN(C2CCCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000423707742 405921313 /nfs/dbraw/zinc/92/13/13/405921313.db2.gz FDMODDGEBBKGLI-IRXDYDNUSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633943472 405923195 /nfs/dbraw/zinc/92/31/95/405923195.db2.gz NUBOZXPJUVYUEC-INIZCTEOSA-N 1 3 307.482 2.338 20 0 DEADHO CO[C@@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)C1CC1 ZINC000639311288 406037386 /nfs/dbraw/zinc/03/73/86/406037386.db2.gz KCBVLOQGOFKZMX-SFHVURJKSA-N 1 3 303.450 2.308 20 0 DEADHO COc1cccc(NC(=O)C[C@@H](C)NCC[N@@H+]2CC[C@@H](C)C2)c1 ZINC000531984666 406030945 /nfs/dbraw/zinc/03/09/45/406030945.db2.gz NAYLFEQBNBGMLC-HUUCEWRRSA-N 1 3 319.449 2.344 20 0 DEADHO COc1cccc(NC(=O)C[C@@H](C)NCC[N@H+]2CC[C@@H](C)C2)c1 ZINC000531984666 406030948 /nfs/dbraw/zinc/03/09/48/406030948.db2.gz NAYLFEQBNBGMLC-HUUCEWRRSA-N 1 3 319.449 2.344 20 0 DEADHO Cc1cc(C[N@@H+]2CCC[C@H](n3cc(CN)nn3)C2)c(C)s1 ZINC000516162894 406087512 /nfs/dbraw/zinc/08/75/12/406087512.db2.gz XBWWBRPTGJRUDY-HNNXBMFYSA-N 1 3 305.451 2.252 20 0 DEADHO Cc1cc(C[N@H+]2CCC[C@H](n3cc(CN)nn3)C2)c(C)s1 ZINC000516162894 406087513 /nfs/dbraw/zinc/08/75/13/406087513.db2.gz XBWWBRPTGJRUDY-HNNXBMFYSA-N 1 3 305.451 2.252 20 0 DEADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc2c(c1)COC2 ZINC000532195223 406054697 /nfs/dbraw/zinc/05/46/97/406054697.db2.gz QJFWSCNZJOCPMI-INIZCTEOSA-N 1 3 317.477 2.395 20 0 DEADHO CCO[C@@H]1C[C@H](NC[C@H]2CCC[N@H+](CC3CC3)C2)[C@]12CCCO2 ZINC000639337703 406054694 /nfs/dbraw/zinc/05/46/94/406054694.db2.gz OCDNVCGLVRWVND-FCGDIQPGSA-N 1 3 322.493 2.425 20 0 DEADHO CCO[C@@H]1C[C@H](NC[C@H]2CCC[N@@H+](CC3CC3)C2)[C@]12CCCO2 ZINC000639337703 406054699 /nfs/dbraw/zinc/05/46/99/406054699.db2.gz OCDNVCGLVRWVND-FCGDIQPGSA-N 1 3 322.493 2.425 20 0 DEADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)[C@]12CCCO2 ZINC000639337703 406054706 /nfs/dbraw/zinc/05/47/06/406054706.db2.gz OCDNVCGLVRWVND-FCGDIQPGSA-N 1 3 322.493 2.425 20 0 DEADHO NC(=O)c1cccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000567648392 406112861 /nfs/dbraw/zinc/11/28/61/406112861.db2.gz LCVGPTPUJPJSQJ-RCCFBDPRSA-N 1 3 315.461 2.228 20 0 DEADHO C[C@@H](CC(=O)Nc1ccc(F)cc1)NCC[N@@H+]1CC[C@H](C)C1 ZINC000517198148 406123321 /nfs/dbraw/zinc/12/33/21/406123321.db2.gz QBWFVSBHPCBANI-KBPBESRZSA-N 1 3 307.413 2.474 20 0 DEADHO C[C@@H](CC(=O)Nc1ccc(F)cc1)NCC[N@H+]1CC[C@H](C)C1 ZINC000517198148 406123327 /nfs/dbraw/zinc/12/33/27/406123327.db2.gz QBWFVSBHPCBANI-KBPBESRZSA-N 1 3 307.413 2.474 20 0 DEADHO C[C@@H]1C[C@@H](NCc2ccccc2N(C)C2CC[NH+](C)CC2)CO1 ZINC000567853160 406148785 /nfs/dbraw/zinc/14/87/85/406148785.db2.gz ZQTSNNBMORJAHI-NVXWUHKLSA-N 1 3 317.477 2.484 20 0 DEADHO CC(C)CCOCCNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634701242 406231885 /nfs/dbraw/zinc/23/18/85/406231885.db2.gz MIUQTBRVMGKLFJ-LJQANCHMSA-N 1 3 320.477 2.276 20 0 DEADHO CC(C)CCOCCNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634701242 406231892 /nfs/dbraw/zinc/23/18/92/406231892.db2.gz MIUQTBRVMGKLFJ-LJQANCHMSA-N 1 3 320.477 2.276 20 0 DEADHO CCCCOCCNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634700964 406232633 /nfs/dbraw/zinc/23/26/33/406232633.db2.gz IBFJSULTCXZJNC-SFHVURJKSA-N 1 3 306.450 2.030 20 0 DEADHO CCCCOCCNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634700964 406232637 /nfs/dbraw/zinc/23/26/37/406232637.db2.gz IBFJSULTCXZJNC-SFHVURJKSA-N 1 3 306.450 2.030 20 0 DEADHO C[NH+]1CCC2(CCN([C@@H]3CCc4ccccc4NC3=O)C2)CC1 ZINC000639754533 406236899 /nfs/dbraw/zinc/23/68/99/406236899.db2.gz BYCCLIXHRNJFCZ-QGZVFWFLSA-N 1 3 313.445 2.358 20 0 DEADHO C[NH+]1CCC2(CCN(CCOCC(F)(F)C(F)F)C2)CC1 ZINC000639756623 406237077 /nfs/dbraw/zinc/23/70/77/406237077.db2.gz ZICUJBZOYWDRAO-UHFFFAOYSA-N 1 3 312.351 2.321 20 0 DEADHO C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639757045 406237791 /nfs/dbraw/zinc/23/77/91/406237791.db2.gz CLMZKRUZYLAQTI-SJORKVTESA-N 1 3 321.509 2.441 20 0 DEADHO CN(Cc1ccccc1)C(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639757530 406238296 /nfs/dbraw/zinc/23/82/96/406238296.db2.gz NNNOVMCZHMGHGK-UHFFFAOYSA-N 1 3 315.461 2.063 20 0 DEADHO Cc1ccc(CNC(=O)CN2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000639759938 406239998 /nfs/dbraw/zinc/23/99/98/406239998.db2.gz OIAFNNNVZQCLPA-UHFFFAOYSA-N 1 3 315.461 2.029 20 0 DEADHO C[C@H](CCN1CCC[C@](O)(C[NH+](C)C)C1)OCc1ccccc1 ZINC000639765546 406242138 /nfs/dbraw/zinc/24/21/38/406242138.db2.gz IYSITLWKGMPRGY-MJGOQNOKSA-N 1 3 320.477 2.370 20 0 DEADHO C[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)N1CCN(c2ccccc2)CC1 ZINC000519834964 406261745 /nfs/dbraw/zinc/26/17/45/406261745.db2.gz NEUJZGPIJVGORH-FGTMMUONSA-N 1 3 316.493 2.057 20 0 DEADHO [NH3+][C@H]1CCC[C@@H](NCCc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000519781640 406252780 /nfs/dbraw/zinc/25/27/80/406252780.db2.gz VFEKXSSOVOGWGT-GOEBONIOSA-N 1 3 302.397 2.413 20 0 DEADHO N[C@H]1CCC[C@@H]([NH2+]CCc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000519781640 406252785 /nfs/dbraw/zinc/25/27/85/406252785.db2.gz VFEKXSSOVOGWGT-GOEBONIOSA-N 1 3 302.397 2.413 20 0 DEADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCc1nnc(-c2ccccc2)o1 ZINC000536838747 406278932 /nfs/dbraw/zinc/27/89/32/406278932.db2.gz MCHMAJDCBUOSQW-UKRRQHHQSA-N 1 3 300.406 2.209 20 0 DEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCc1nnc(-c2ccccc2)o1 ZINC000536838747 406278933 /nfs/dbraw/zinc/27/89/33/406278933.db2.gz MCHMAJDCBUOSQW-UKRRQHHQSA-N 1 3 300.406 2.209 20 0 DEADHO C[NH+](C)CC(C)(C)NC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000637368179 406280877 /nfs/dbraw/zinc/28/08/77/406280877.db2.gz NRCNKDPZLIEFRB-HNNXBMFYSA-N 1 3 310.486 2.033 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000632845867 406287554 /nfs/dbraw/zinc/28/75/54/406287554.db2.gz UYQIJPGMTFTQAZ-MRXNPFEDSA-N 1 3 322.497 2.131 20 0 DEADHO CC(C)[NH2+]CCC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000569876821 406315250 /nfs/dbraw/zinc/31/52/50/406315250.db2.gz BPGOTUGBYAJSKS-AWEZNQCLSA-N 1 3 309.479 2.389 20 0 DEADHO CC(C)[C@H]1C[C@@H]([NH2+]CC2(O)CCN(C(C)C)CC2)CS1 ZINC000488427210 406319591 /nfs/dbraw/zinc/31/95/91/406319591.db2.gz FUZNNMYEDFWMFJ-HUUCEWRRSA-N 1 3 300.512 2.341 20 0 DEADHO C[NH+](C)CC1(CNC[C@@H](O)Cc2ccc(F)cc2)CCCC1 ZINC000521428403 406346043 /nfs/dbraw/zinc/34/60/43/406346043.db2.gz QVVSADBHMSIOKZ-KRWDZBQOSA-N 1 3 308.441 2.441 20 0 DEADHO Cc1ccnc(-c2nnc([C@H](C)[NH2+]C3CCC(C[NH3+])CC3)[n-]2)c1 ZINC000521423791 406346329 /nfs/dbraw/zinc/34/63/29/406346329.db2.gz UZNOJTQMKRCMMV-HSBZDZAISA-N 1 3 314.437 2.343 20 0 DEADHO N[C@H](CC(=O)N1C[C@H](C[NH3+])Cc2ccccc21)c1ccccc1 ZINC000632868305 406298960 /nfs/dbraw/zinc/29/89/60/406298960.db2.gz GDKVDDVCWLJTPQ-WMLDXEAASA-N 1 3 309.413 2.241 20 0 DEADHO FC(F)(F)c1ccn(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000635014071 406401133 /nfs/dbraw/zinc/40/11/33/406401133.db2.gz LWWLWJBRDOTKIF-UPJWGTAASA-N 1 3 316.371 2.412 20 0 DEADHO CCOC(=O)COc1ccc(CC[NH2+][C@H]2CCC[C@H](N)C2)cc1 ZINC000569116026 292391842 /nfs/dbraw/zinc/39/18/42/292391842.db2.gz CSNMIKZNEYMGQR-HOTGVXAUSA-N 1 3 320.433 2.031 20 0 DEADHO CCOC(=O)COc1ccc(CCN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000569116026 292391845 /nfs/dbraw/zinc/39/18/45/292391845.db2.gz CSNMIKZNEYMGQR-HOTGVXAUSA-N 1 3 320.433 2.031 20 0 DEADHO CC[C@@]1(O)CCCN(CC(C)C[N@@H+]2CCC[C@](O)(CC)C2)C1 ZINC000640033274 406365812 /nfs/dbraw/zinc/36/58/12/406365812.db2.gz LHCNLWZRPCTGRZ-QZTJIDSGSA-N 1 3 312.498 2.096 20 0 DEADHO CC[C@@]1(O)CCCN(CC(C)C[N@H+]2CCC[C@](O)(CC)C2)C1 ZINC000640033274 406365814 /nfs/dbraw/zinc/36/58/14/406365814.db2.gz LHCNLWZRPCTGRZ-QZTJIDSGSA-N 1 3 312.498 2.096 20 0 DEADHO Cc1csc(=O)n1CCN(C)CCCC[NH+]1CCCCC1 ZINC000640532955 406535449 /nfs/dbraw/zinc/53/54/49/406535449.db2.gz YVUVPEYANFGEOG-UHFFFAOYSA-N 1 3 311.495 2.416 20 0 DEADHO C[C@H](Cc1ccccc1F)[NH2+]Cc1nnc(C2CC[NH2+]CC2)[n-]1 ZINC000571551308 406536344 /nfs/dbraw/zinc/53/63/44/406536344.db2.gz HIEATEOBOQPYJS-GFCCVEGCSA-N 1 3 317.412 2.132 20 0 DEADHO CC[NH2+][C@@H](C)C(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC ZINC000638059646 406548812 /nfs/dbraw/zinc/54/88/12/406548812.db2.gz VTRCETLZIJXDRN-WMLDXEAASA-N 1 3 321.465 2.192 20 0 DEADHO Cc1ccc(OC[C@@H](O)C[NH2+]C2CCN(CC(C)C)CC2)cc1 ZINC000571754888 406560726 /nfs/dbraw/zinc/56/07/26/406560726.db2.gz QFSLNJUMHSLYDJ-SFHVURJKSA-N 1 3 320.477 2.445 20 0 DEADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)Cc1ccco1 ZINC000571431317 406520858 /nfs/dbraw/zinc/52/08/58/406520858.db2.gz VUFYNGNEYCGYJK-LEUOFYLZSA-N 1 3 306.450 2.331 20 0 DEADHO CC[C@@](C)(CN1CCN(C2CC[NH+](C(C)C)CC2)CC1)OC ZINC000638153770 406596985 /nfs/dbraw/zinc/59/69/85/406596985.db2.gz RWXZCNYBJIJANC-SFHVURJKSA-N 1 3 311.514 2.292 20 0 DEADHO C[C@@H]1CCN(C(=O)CCC2C[NH2+]C2)CCN1Cc1ccccc1 ZINC000638131789 406586532 /nfs/dbraw/zinc/58/65/32/406586532.db2.gz RVIYXSPKFCTMSW-MRXNPFEDSA-N 1 3 315.461 2.109 20 0 DEADHO CO[C@H](CN1CC[C@H](C[N@H+](C)CC2CC2)C1)C1CCOCC1 ZINC000638134677 406588288 /nfs/dbraw/zinc/58/82/88/406588288.db2.gz PXYSJYSBXOQSCA-SJLPKXTDSA-N 1 3 310.482 2.092 20 0 DEADHO CO[C@H](CN1CC[C@H](C[N@@H+](C)CC2CC2)C1)C1CCOCC1 ZINC000638134677 406588290 /nfs/dbraw/zinc/58/82/90/406588290.db2.gz PXYSJYSBXOQSCA-SJLPKXTDSA-N 1 3 310.482 2.092 20 0 DEADHO CC(C)([NH3+])CC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000645853384 406667506 /nfs/dbraw/zinc/66/75/06/406667506.db2.gz HPPCFSVRRKMRPS-UHFFFAOYSA-N 1 3 317.477 2.281 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CN1Cc1ccccc1 ZINC000635677770 406671983 /nfs/dbraw/zinc/67/19/83/406671983.db2.gz WNQHTQLJIKZFJN-NVXWUHKLSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638287184 406673254 /nfs/dbraw/zinc/67/32/54/406673254.db2.gz UEEFUFMCPTVNRI-QAPCUYQASA-N 1 3 313.445 2.157 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000527653421 406704697 /nfs/dbraw/zinc/70/46/97/406704697.db2.gz TYIJWLAEKXRELS-SJORKVTESA-N 1 3 322.497 2.177 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000527653421 406704709 /nfs/dbraw/zinc/70/47/09/406704709.db2.gz TYIJWLAEKXRELS-SJORKVTESA-N 1 3 322.497 2.177 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527653421 406704715 /nfs/dbraw/zinc/70/47/15/406704715.db2.gz TYIJWLAEKXRELS-SJORKVTESA-N 1 3 322.497 2.177 20 0 DEADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000572508040 406683169 /nfs/dbraw/zinc/68/31/69/406683169.db2.gz ODUUKUQKMUTYSV-QGZVFWFLSA-N 1 3 315.461 2.109 20 0 DEADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000572508040 406683176 /nfs/dbraw/zinc/68/31/76/406683176.db2.gz ODUUKUQKMUTYSV-QGZVFWFLSA-N 1 3 315.461 2.109 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527653421 406704722 /nfs/dbraw/zinc/70/47/22/406704722.db2.gz TYIJWLAEKXRELS-SJORKVTESA-N 1 3 322.497 2.177 20 0 DEADHO CC1(C)C[NH2+][C@@H]1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000645803485 406640207 /nfs/dbraw/zinc/64/02/07/406640207.db2.gz DQZYACGEEILXAI-OAHLLOKOSA-N 1 3 321.490 2.074 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000527801836 406757034 /nfs/dbraw/zinc/75/70/34/406757034.db2.gz WYZYFGNUSMZEJA-DOTOQJQBSA-N 1 3 322.497 2.033 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000527801836 406757038 /nfs/dbraw/zinc/75/70/38/406757038.db2.gz WYZYFGNUSMZEJA-DOTOQJQBSA-N 1 3 322.497 2.033 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000646106024 406782948 /nfs/dbraw/zinc/78/29/48/406782948.db2.gz OZXZQIRLEPBIGA-WBVHZDCISA-N 1 3 303.450 2.107 20 0 DEADHO CC[C@@H](CNC(=O)CC(C)(C)[NH3+])N1CCc2ccccc2C1 ZINC000646407996 406858922 /nfs/dbraw/zinc/85/89/22/406858922.db2.gz GGFRBYTVGHSIAU-INIZCTEOSA-N 1 3 303.450 2.067 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N(C)CCCC[NH+]2CCCCC2)CCN1C ZINC000641809707 406899176 /nfs/dbraw/zinc/89/91/76/406899176.db2.gz UKWZVNYLWMJXAN-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)CO1 ZINC000647172062 406964287 /nfs/dbraw/zinc/96/42/87/406964287.db2.gz GWUURVVOMRKXOJ-ROUUACIJSA-N 1 3 317.477 2.356 20 0 DEADHO C[C@@H]([NH3+])CNC(=O)c1ccccc1OCCN1CCCC[C@H]1C ZINC000647022049 406942479 /nfs/dbraw/zinc/94/24/79/406942479.db2.gz UIWHLNFJNHQRIJ-HUUCEWRRSA-N 1 3 319.449 2.017 20 0 DEADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(N2CCOCC2)c1 ZINC000643523961 407011050 /nfs/dbraw/zinc/01/10/50/407011050.db2.gz PXOWYTAPXLGTHO-UAGQMJEPSA-N 1 3 303.450 2.444 20 0 DEADHO CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000647552545 407019897 /nfs/dbraw/zinc/01/98/97/407019897.db2.gz GALLLKGEYGHVFM-IXDOHACOSA-N 1 3 321.509 2.332 20 0 DEADHO CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000647552545 407019899 /nfs/dbraw/zinc/01/98/99/407019899.db2.gz GALLLKGEYGHVFM-IXDOHACOSA-N 1 3 321.509 2.332 20 0 DEADHO O=C(CN[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)Nc1ccc(Cl)cc1 ZINC000647790178 407051132 /nfs/dbraw/zinc/05/11/32/407051132.db2.gz UCEZQHMZLLVRDX-YWPYICTPSA-N 1 3 307.825 2.256 20 0 DEADHO COc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[NH3+])N2CCCC2)cc1 ZINC000643456578 407002236 /nfs/dbraw/zinc/00/22/36/407002236.db2.gz JXZVXSVKKIBHTG-KSZLIROESA-N 1 3 303.450 2.302 20 0 DEADHO COc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2N)N2CCCC2)cc1 ZINC000643456578 407002237 /nfs/dbraw/zinc/00/22/37/407002237.db2.gz JXZVXSVKKIBHTG-KSZLIROESA-N 1 3 303.450 2.302 20 0 DEADHO O=C(C1CCCC1)N1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000643463259 407003290 /nfs/dbraw/zinc/00/32/90/407003290.db2.gz OFVZRHKVUMYHOU-WNRNVDISSA-N 1 3 319.493 2.288 20 0 DEADHO COC[C@H](CCC[NH3+])NC[C@H](OC)c1ccccc1Cl ZINC000643467506 407004493 /nfs/dbraw/zinc/00/44/93/407004493.db2.gz NEACAMXCEZHHGO-WFASDCNBSA-N 1 3 300.830 2.371 20 0 DEADHO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccc(OCCN(C)C)cc2)C1 ZINC000647496697 407007283 /nfs/dbraw/zinc/00/72/83/407007283.db2.gz BHMXWYDTJYBYSN-NVXWUHKLSA-N 1 3 305.466 2.186 20 0 DEADHO CC[C@@H]1CCCCN1C(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647974922 407091532 /nfs/dbraw/zinc/09/15/32/407091532.db2.gz BZLMLCPGPDNURE-OKZBNKHCSA-N 1 3 321.509 2.489 20 0 DEADHO Cc1cc(CN)cc(NC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000644191601 407102950 /nfs/dbraw/zinc/10/29/50/407102950.db2.gz NDTBAYMIVKRIRZ-OAHLLOKOSA-N 1 3 304.438 2.448 20 0 DEADHO c1ccc(OCCOCC[N@H+](C2CC2)C2CCNCC2)cc1 ZINC000647815263 407056269 /nfs/dbraw/zinc/05/62/69/407056269.db2.gz WNXUHBXUJXLIKY-UHFFFAOYSA-N 1 3 304.434 2.298 20 0 DEADHO c1ccc(OCCOCC[N@@H+](C2CC2)C2CCNCC2)cc1 ZINC000647815263 407056272 /nfs/dbraw/zinc/05/62/72/407056272.db2.gz WNXUHBXUJXLIKY-UHFFFAOYSA-N 1 3 304.434 2.298 20 0 DEADHO CC(C)[NH+]1CCC(N[C@H]2CCCc3c2ccc(=O)n3C)CC1 ZINC000647909450 407072634 /nfs/dbraw/zinc/07/26/34/407072634.db2.gz PBRVAABYBXUVLU-INIZCTEOSA-N 1 3 303.450 2.225 20 0 DEADHO CCOc1ccccc1NC(=O)CCN1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000647934435 407078829 /nfs/dbraw/zinc/07/88/29/407078829.db2.gz FWWAETLHUGAQFF-GJZGRUSLSA-N 1 3 319.449 2.473 20 0 DEADHO CN(C)C[C@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)c1ccc(Cl)cc1 ZINC000648153921 407126994 /nfs/dbraw/zinc/12/69/94/407126994.db2.gz GCAVLGQOOBYWQO-KBPBESRZSA-N 1 3 309.841 2.057 20 0 DEADHO CCCN(C(=O)NCC[N@@H+]1CCCC[C@H]1CC)[C@H]1CCN(C)C1 ZINC000645305692 407260833 /nfs/dbraw/zinc/26/08/33/407260833.db2.gz YEDDPWLTPRMHMA-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO CCCN(C(=O)NCC[N@H+]1CCCC[C@H]1CC)[C@H]1CCN(C)C1 ZINC000645305692 407260836 /nfs/dbraw/zinc/26/08/36/407260836.db2.gz YEDDPWLTPRMHMA-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO CCCN(C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C)[C@@H]1CCN(C)C1 ZINC000645162229 407240276 /nfs/dbraw/zinc/24/02/76/407240276.db2.gz HOELNRPDGRWSCE-IXDOHACOSA-N 1 3 324.513 2.375 20 0 DEADHO CCCN(C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C)[C@@H]1CCN(C)C1 ZINC000645162229 407240278 /nfs/dbraw/zinc/24/02/78/407240278.db2.gz HOELNRPDGRWSCE-IXDOHACOSA-N 1 3 324.513 2.375 20 0 DEADHO CC(C)[NH2+]CCCN[C@@H](C)Cn1cc(Br)cn1 ZINC000569802192 292442890 /nfs/dbraw/zinc/44/28/90/292442890.db2.gz GSFXXPGIQIBLNA-NSHDSACASA-N 1 3 303.248 2.012 20 0 DEADHO CC[C@@H](O)[C@@H](CC)[NH2+]Cc1ccccc1N1CCN(CC)CC1 ZINC000449642249 286946323 /nfs/dbraw/zinc/94/63/23/286946323.db2.gz WRWHQALPEGFPOT-IEBWSBKVSA-N 1 3 319.493 2.468 20 0 DEADHO CC[C@@H](COC)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000132803317 196285291 /nfs/dbraw/zinc/28/52/91/196285291.db2.gz NTCYZCRLEJIWSI-KRWDZBQOSA-N 1 3 306.450 2.158 20 0 DEADHO C[C@@H]1CCCN(CC[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000298264792 287353522 /nfs/dbraw/zinc/35/35/22/287353522.db2.gz GBKZFUQXZZPNGA-MRXNPFEDSA-N 1 3 302.466 2.372 20 0 DEADHO C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000415090019 228628690 /nfs/dbraw/zinc/62/86/90/228628690.db2.gz ZOIDFPBTRMNNBH-FVQBIDKESA-N 1 3 301.434 2.192 20 0 DEADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C)CC[NH3+])N2CCCC2)cc1 ZINC000417353203 229012962 /nfs/dbraw/zinc/01/29/62/229012962.db2.gz IDXGUDCIVJVRAI-RDJZCZTQSA-N 1 3 318.465 2.168 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000417790144 229101850 /nfs/dbraw/zinc/10/18/50/229101850.db2.gz HNPUVRPNMLWWGO-CWRNSKLLSA-N 1 3 303.450 2.298 20 0 DEADHO C[C@H]1C[C@H](NC(=O)NC(C)(C)C[NH3+])CCN1Cc1ccccc1 ZINC000417828621 229116744 /nfs/dbraw/zinc/11/67/44/229116744.db2.gz FQVRMGWLDLRNMK-GOEBONIOSA-N 1 3 318.465 2.076 20 0 DEADHO C[C@@H](NC(C)(C)CNC(=O)N1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000417637867 229062368 /nfs/dbraw/zinc/06/23/68/229062368.db2.gz ZLVSBYXRYZUMHJ-GDBMZVCRSA-N 1 3 318.465 2.249 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N[C@H](CCC[NH3+])c2ccccc2)CCN1C ZINC000417754106 229088449 /nfs/dbraw/zinc/08/84/49/229088449.db2.gz PDRYNKSYRSFWQG-DJIMGWMZSA-N 1 3 318.465 2.249 20 0 DEADHO C[C@@H]1[C@H](NC(=O)N(CCC[NH3+])Cc2ccccc2)CCCN1C ZINC000418004788 229184301 /nfs/dbraw/zinc/18/43/01/229184301.db2.gz ORQBAPHQEKFBOS-NVXWUHKLSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@@H](NC(=O)N1CCN(CCC(C)(C)C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000418343286 229317220 /nfs/dbraw/zinc/31/72/20/229317220.db2.gz NSMUATQIOLKRRQ-HZPDHXFCSA-N 1 3 324.513 2.138 20 0 DEADHO CN(C(=O)NCC(C)(C)[NH3+])C1CCN(Cc2ccccc2)CC1 ZINC000418414787 229341182 /nfs/dbraw/zinc/34/11/82/229341182.db2.gz MAVRDHFTNSTJNM-UHFFFAOYSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000418511134 229372423 /nfs/dbraw/zinc/37/24/23/229372423.db2.gz IXZGHTOJURGASW-BFYDXBDKSA-N 1 3 318.465 2.028 20 0 DEADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(CCOc2ccccc2F)CC1 ZINC000420373337 229682712 /nfs/dbraw/zinc/68/27/12/229682712.db2.gz GFIOPZCZELOWCG-FUHWJXTLSA-N 1 3 322.424 2.423 20 0 DEADHO C[C@H](Cc1ccc(F)cc1Cl)NC[C@@H](O)C[NH+]1CCCC1 ZINC000421824565 230007019 /nfs/dbraw/zinc/00/70/19/230007019.db2.gz JJBCQNCSUQMQMQ-IUODEOHRSA-N 1 3 314.832 2.456 20 0 DEADHO CC[C@H](C)[NH2+][C@H](CNC(=O)N1C[C@H](C)NC[C@@H]1C)c1ccco1 ZINC000418170812 287624260 /nfs/dbraw/zinc/62/42/60/287624260.db2.gz SNZYBYFKNLBINZ-ZQDZILKHSA-N 1 3 322.453 2.101 20 0 DEADHO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)NCC2CCCCC2)C[C@@H]1CN ZINC000422637861 230161919 /nfs/dbraw/zinc/16/19/19/230161919.db2.gz PMHVSZVRYSQQSJ-VYDXJSESSA-N 1 3 309.498 2.378 20 0 DEADHO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)NCC2CCCCC2)C[C@@H]1CN ZINC000422637861 230161924 /nfs/dbraw/zinc/16/19/24/230161924.db2.gz PMHVSZVRYSQQSJ-VYDXJSESSA-N 1 3 309.498 2.378 20 0 DEADHO C[C@@H]1C[C@H](C)N(CCC(=O)NCC2CCCCC2)C[C@@H]1C[NH3+] ZINC000422637861 230161929 /nfs/dbraw/zinc/16/19/29/230161929.db2.gz PMHVSZVRYSQQSJ-VYDXJSESSA-N 1 3 309.498 2.378 20 0 DEADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000422702106 230169205 /nfs/dbraw/zinc/16/92/05/230169205.db2.gz DFLCWSYLUVWVMT-CVEARBPZSA-N 1 3 311.539 2.455 20 0 DEADHO CO[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000422776929 230205643 /nfs/dbraw/zinc/20/56/43/230205643.db2.gz BGJPYUXWVZJGJD-RAEVTNRLSA-N 1 3 312.841 2.369 20 0 DEADHO COc1ccc(CN2CCC(C[NH2+][C@H]3CCC[C@H]3N)CC2)cc1 ZINC000422789390 230209988 /nfs/dbraw/zinc/20/99/88/230209988.db2.gz WOBYGPXCUOBSQU-MOPGFXCFSA-N 1 3 317.477 2.377 20 0 DEADHO CN(C)CCOc1ccccc1CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422833590 230232345 /nfs/dbraw/zinc/23/23/45/230232345.db2.gz YZKPIIZJEPCTBQ-IRXDYDNUSA-N 1 3 305.466 2.377 20 0 DEADHO c1c(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)nc2n1CCCC2 ZINC000422830075 230232820 /nfs/dbraw/zinc/23/28/20/230232820.db2.gz HYPNYEORXNNCFL-BBWFWOEESA-N 1 3 302.466 2.272 20 0 DEADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000422887835 230259990 /nfs/dbraw/zinc/25/99/90/230259990.db2.gz LNGPAYDUGNUXGA-XCRHUMRWSA-N 1 3 301.434 2.442 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCCc1c[nH]c2ccccc12 ZINC000422887835 230259997 /nfs/dbraw/zinc/25/99/97/230259997.db2.gz LNGPAYDUGNUXGA-XCRHUMRWSA-N 1 3 301.434 2.442 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000422897047 230267454 /nfs/dbraw/zinc/26/74/54/230267454.db2.gz BFHDPHZTLAFHMN-DMDPSCGWSA-N 1 3 320.355 2.161 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NCc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000422908792 230272580 /nfs/dbraw/zinc/27/25/80/230272580.db2.gz ZHRSGFBFMTYPHA-JYJNAYRXSA-N 1 3 305.466 2.123 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NCCc1ccc(OCC(F)(F)F)nc1 ZINC000423056620 230331168 /nfs/dbraw/zinc/33/11/68/230331168.db2.gz XNMQMQVEACDCHB-WDEREUQCSA-N 1 3 305.344 2.281 20 0 DEADHO C[C@H](C[C@H](C)N)[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000423056620 230331173 /nfs/dbraw/zinc/33/11/73/230331173.db2.gz XNMQMQVEACDCHB-WDEREUQCSA-N 1 3 305.344 2.281 20 0 DEADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCCn1cc(Br)cn1 ZINC000423082086 230342840 /nfs/dbraw/zinc/34/28/40/230342840.db2.gz CLOSAACVGOPYQQ-YPMHNXCESA-N 1 3 315.259 2.143 20 0 DEADHO [NH3+]CC1CCC(NCc2ccncc2OC[C@@H]2CCOC2)CC1 ZINC000423120831 230357232 /nfs/dbraw/zinc/35/72/32/230357232.db2.gz HTXBOEPHRPOTTG-ISXOHVOVSA-N 1 3 319.449 2.104 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC000634456913 424844000 /nfs/dbraw/zinc/84/40/00/424844000.db2.gz MXOKXSQJTLCTFJ-SFHVURJKSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccc(OC[C@H](O)CN[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000388728648 424914992 /nfs/dbraw/zinc/91/49/92/424914992.db2.gz BDWJHXAVBWUYJI-BRWVUGGUSA-N 1 3 306.450 2.115 20 0 DEADHO Cc1ccc(OC[C@H](O)CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000388728648 424914994 /nfs/dbraw/zinc/91/49/94/424914994.db2.gz BDWJHXAVBWUYJI-BRWVUGGUSA-N 1 3 306.450 2.115 20 0 DEADHO C[C@@H]1CC2(CN1Cc1nc(N)c3ccccc3n1)CC[NH2+]CC2 ZINC000333369938 424921241 /nfs/dbraw/zinc/92/12/41/424921241.db2.gz FJLSQYGTHOVXSR-CYBMUJFWSA-N 1 3 311.433 2.176 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000648896122 424924502 /nfs/dbraw/zinc/92/45/02/424924502.db2.gz PZMAWNIHOWNLFY-DAXOMENPSA-N 1 3 323.868 2.399 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000648896122 424924503 /nfs/dbraw/zinc/92/45/03/424924503.db2.gz PZMAWNIHOWNLFY-DAXOMENPSA-N 1 3 323.868 2.399 20 0 DEADHO C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)C1 ZINC000649342935 424998389 /nfs/dbraw/zinc/99/83/89/424998389.db2.gz XTUYFLBRWOABAM-NXHRZFHOSA-N 1 3 315.461 2.107 20 0 DEADHO CO[C@@H](Cc1ccccc1)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000649351922 424998986 /nfs/dbraw/zinc/99/89/86/424998986.db2.gz RMQZNBTZEVONSK-IBGZPJMESA-N 1 3 311.429 2.461 20 0 DEADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2cnc3ccccn23)C1 ZINC000650722252 425042859 /nfs/dbraw/zinc/04/28/59/425042859.db2.gz NXAWVRKYVXTPTO-OIISXLGYSA-N 1 3 314.433 2.195 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000666761319 425176909 /nfs/dbraw/zinc/17/69/09/425176909.db2.gz VVULNVWWMHSTAM-IRXDYDNUSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000666761319 425176911 /nfs/dbraw/zinc/17/69/11/425176911.db2.gz VVULNVWWMHSTAM-IRXDYDNUSA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)[NH2+]C1CCN(C(=O)N[C@H](C)CN2CCC(C)CC2)CC1 ZINC000666761065 425177627 /nfs/dbraw/zinc/17/76/27/425177627.db2.gz RGMOPJHQWHNIRB-MRXNPFEDSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H](CCNC(=O)Nc1ccccc1CCN(C)C)[NH+](C)C ZINC000666838914 425194593 /nfs/dbraw/zinc/19/45/93/425194593.db2.gz JJFMSISKQRWAQL-AWEZNQCLSA-N 1 3 306.454 2.252 20 0 DEADHO COc1cccc(NC(=O)C[C@@H](C)N[C@@H]2CCC[NH2+]CC2)c1 ZINC000666858118 425198797 /nfs/dbraw/zinc/19/87/97/425198797.db2.gz YADYVPBYLKXKTQ-ZIAGYGMSSA-N 1 3 305.422 2.144 20 0 DEADHO CCCN1CC[C@H](NC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000660666559 425200963 /nfs/dbraw/zinc/20/09/63/425200963.db2.gz RRFNPNITCCKGSZ-DLBZAZTESA-N 1 3 324.513 2.280 20 0 DEADHO CCC[N@H+](C)CC(C)(C)NC(=O)NCCN1CCC(C)CC1 ZINC000663630810 425201766 /nfs/dbraw/zinc/20/17/66/425201766.db2.gz SVZMJZPLJNTPKR-UHFFFAOYSA-N 1 3 312.502 2.138 20 0 DEADHO CCC[N@@H+](C)CC(C)(C)NC(=O)NCCN1CCC(C)CC1 ZINC000663630810 425201770 /nfs/dbraw/zinc/20/17/70/425201770.db2.gz SVZMJZPLJNTPKR-UHFFFAOYSA-N 1 3 312.502 2.138 20 0 DEADHO CC[N@H+](CCCN[C@H]1CCN(CCOC)C1)C1CCCCC1 ZINC000651910302 425151870 /nfs/dbraw/zinc/15/18/70/425151870.db2.gz OQPDQTGLTBAIQP-KRWDZBQOSA-N 1 3 311.514 2.341 20 0 DEADHO CC[N@@H+](CCCN[C@H]1CCN(CCOC)C1)C1CCCCC1 ZINC000651910302 425151871 /nfs/dbraw/zinc/15/18/71/425151871.db2.gz OQPDQTGLTBAIQP-KRWDZBQOSA-N 1 3 311.514 2.341 20 0 DEADHO OC[C@H](CCF)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000652303431 425236575 /nfs/dbraw/zinc/23/65/75/425236575.db2.gz XAVWWUHPTYSKJX-FJIDUMEYSA-N 1 3 306.425 2.492 20 0 DEADHO OC[C@H](CCF)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000652303431 425236577 /nfs/dbraw/zinc/23/65/77/425236577.db2.gz XAVWWUHPTYSKJX-FJIDUMEYSA-N 1 3 306.425 2.492 20 0 DEADHO c1ccc2c(c1)CCC1(CCN(CCN3CC[NH2+]CC3)CC1)C2 ZINC000652344589 425243226 /nfs/dbraw/zinc/24/32/26/425243226.db2.gz PAORIXJHFDPBBF-UHFFFAOYSA-N 1 3 313.489 2.163 20 0 DEADHO CCc1noc(C)c1CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348672 425245923 /nfs/dbraw/zinc/24/59/23/425245923.db2.gz MLQUPDMERSCODD-ZQIUZPCESA-N 1 3 307.438 2.264 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000653955138 425260075 /nfs/dbraw/zinc/26/00/75/425260075.db2.gz LUVBLEXJZCNYPU-IKGGRYGDSA-N 1 3 322.497 2.033 20 0 DEADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000653955138 425260078 /nfs/dbraw/zinc/26/00/78/425260078.db2.gz LUVBLEXJZCNYPU-IKGGRYGDSA-N 1 3 322.497 2.033 20 0 DEADHO COCc1csc(CNCC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000657396976 425326685 /nfs/dbraw/zinc/32/66/85/425326685.db2.gz HKSNDGFQGNGKFD-UHFFFAOYSA-N 1 3 312.479 2.219 20 0 DEADHO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654374260 425336546 /nfs/dbraw/zinc/33/65/46/425336546.db2.gz VOYPVFYBVKRAOI-PMPSAXMXSA-N 1 3 310.486 2.033 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)Nc1ccc2c(c1)CNC2 ZINC000652611825 425302014 /nfs/dbraw/zinc/30/20/14/425302014.db2.gz YZELRZIFDUFBMS-UHFFFAOYSA-N 1 3 304.438 2.389 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)Nc1ccc2c(c1)CNC2 ZINC000652611825 425302017 /nfs/dbraw/zinc/30/20/17/425302017.db2.gz YZELRZIFDUFBMS-UHFFFAOYSA-N 1 3 304.438 2.389 20 0 DEADHO Cc1nc(NCC[N@@H+](C)CCCN(C)C)cc(C(F)(F)F)n1 ZINC000664247680 425345010 /nfs/dbraw/zinc/34/50/10/425345010.db2.gz RAZWYZIWQCYNGC-UHFFFAOYSA-N 1 3 319.375 2.099 20 0 DEADHO Cc1nc(NCC[N@H+](C)CCCN(C)C)cc(C(F)(F)F)n1 ZINC000664247680 425345013 /nfs/dbraw/zinc/34/50/13/425345013.db2.gz RAZWYZIWQCYNGC-UHFFFAOYSA-N 1 3 319.375 2.099 20 0 DEADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654405658 425345116 /nfs/dbraw/zinc/34/51/16/425345116.db2.gz SVDHDTCLHYMWLR-JYJNAYRXSA-N 1 3 310.486 2.033 20 0 DEADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000654429353 425351597 /nfs/dbraw/zinc/35/15/97/425351597.db2.gz XCKMQAUQRKQQBY-ZACQAIPSSA-N 1 3 322.497 2.034 20 0 DEADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000654429353 425351598 /nfs/dbraw/zinc/35/15/98/425351598.db2.gz XCKMQAUQRKQQBY-ZACQAIPSSA-N 1 3 322.497 2.034 20 0 DEADHO CCCn1cc(CNCC2CC[NH+](C3CCOCC3)CC2)cn1 ZINC000657535393 425358514 /nfs/dbraw/zinc/35/85/14/425358514.db2.gz NBKMCJGCBUGGGX-UHFFFAOYSA-N 1 3 320.481 2.274 20 0 DEADHO CO[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCOC1 ZINC000657540961 425360082 /nfs/dbraw/zinc/36/00/82/425360082.db2.gz JSXUVHYNBAYROP-YJBOKZPZSA-N 1 3 310.482 2.425 20 0 DEADHO CO[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1CCOC1 ZINC000657540961 425360086 /nfs/dbraw/zinc/36/00/86/425360086.db2.gz JSXUVHYNBAYROP-YJBOKZPZSA-N 1 3 310.482 2.425 20 0 DEADHO CCC[N@H+](CC)CCNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654469633 425361179 /nfs/dbraw/zinc/36/11/79/425361179.db2.gz CTLZUHDTEYDRCN-HOTGVXAUSA-N 1 3 310.486 2.034 20 0 DEADHO CCC[N@@H+](CC)CCNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654469633 425361180 /nfs/dbraw/zinc/36/11/80/425361180.db2.gz CTLZUHDTEYDRCN-HOTGVXAUSA-N 1 3 310.486 2.034 20 0 DEADHO COCCCn1nccc1CNCC1CC[NH+](CC2CC2)CC1 ZINC000657816149 425404116 /nfs/dbraw/zinc/40/41/16/425404116.db2.gz VYCZNWNKIBYNKY-UHFFFAOYSA-N 1 3 320.481 2.131 20 0 DEADHO CN(CCN1CCCCC1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000652990246 425374191 /nfs/dbraw/zinc/37/41/91/425374191.db2.gz LSFDETTUETYHHF-KRWDZBQOSA-N 1 3 307.482 2.338 20 0 DEADHO CN(CCN1CCCCC1)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000652990246 425374194 /nfs/dbraw/zinc/37/41/94/425374194.db2.gz LSFDETTUETYHHF-KRWDZBQOSA-N 1 3 307.482 2.338 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000661317157 425378950 /nfs/dbraw/zinc/37/89/50/425378950.db2.gz ZDFHZXYHCBJKOG-DLBZAZTESA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000661317157 425378953 /nfs/dbraw/zinc/37/89/53/425378953.db2.gz ZDFHZXYHCBJKOG-DLBZAZTESA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C1=CCN(C)CC1 ZINC000654991644 425479739 /nfs/dbraw/zinc/47/97/39/425479739.db2.gz WWOCPJVLABBHHQ-OAHLLOKOSA-N 1 3 315.461 2.171 20 0 DEADHO CN(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000653150504 425417990 /nfs/dbraw/zinc/41/79/90/425417990.db2.gz DFVIYHKOGDWWBF-ZBFHGGJFSA-N 1 3 323.868 2.449 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000654728259 425423880 /nfs/dbraw/zinc/42/38/80/425423880.db2.gz CCLPQEHXXZFISL-ZACQAIPSSA-N 1 3 322.497 2.175 20 0 DEADHO C[NH2+]Cc1ccccc1CNC(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000653210718 425434884 /nfs/dbraw/zinc/43/48/84/425434884.db2.gz GKHGJBFOSPSJIR-KDOFPFPSSA-N 1 3 311.429 2.358 20 0 DEADHO C[C@@H](C(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+])[C@@H](N)c1ccccc1 ZINC000653233186 425440065 /nfs/dbraw/zinc/44/00/65/425440065.db2.gz RSGBJXHJGLNIJB-TXCZRRACSA-N 1 3 303.450 2.298 20 0 DEADHO COC(C)(C)[C@H](C)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658138031 425444770 /nfs/dbraw/zinc/44/47/70/425444770.db2.gz MALBWJKTXPODAS-YOEHRIQHSA-N 1 3 306.450 2.156 20 0 DEADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000654887424 425461614 /nfs/dbraw/zinc/46/16/14/425461614.db2.gz HDDUHSXJKKXUOU-KSSFIOAISA-N 1 3 315.461 2.003 20 0 DEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CNCC[C@@H]2c2cccc(F)c2)CCN1C ZINC000665254764 425529537 /nfs/dbraw/zinc/52/95/37/425529537.db2.gz YVGGFMOFEUNJGS-BNEJOLLZSA-N 1 3 305.441 2.344 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665257787 425530616 /nfs/dbraw/zinc/53/06/16/425530616.db2.gz UWXPFGQZFGVADM-XEKGUZQTSA-N 1 3 317.452 2.344 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CNCC[C@@H]2c2ccc(F)cc2)CCN1C ZINC000665257752 425530789 /nfs/dbraw/zinc/53/07/89/425530789.db2.gz SYDATMIZNGOOBV-BVPBIZIASA-N 1 3 305.441 2.344 20 0 DEADHO Cc1cncc(CCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000665274266 425534570 /nfs/dbraw/zinc/53/45/70/425534570.db2.gz MNMAHZHZJCTNMC-PKOBYXMFSA-N 1 3 324.428 2.173 20 0 DEADHO C[C@@H]([NH3+])C[C@H](C)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1 ZINC000665289362 425538389 /nfs/dbraw/zinc/53/83/89/425538389.db2.gz MHIOLQGFDUHKEM-YALNPMBYSA-N 1 3 303.450 2.443 20 0 DEADHO C[C@@H](N)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1 ZINC000665289362 425538393 /nfs/dbraw/zinc/53/83/93/425538393.db2.gz MHIOLQGFDUHKEM-YALNPMBYSA-N 1 3 303.450 2.443 20 0 DEADHO C[C@@H]1CCNC[C@@H]1[NH2+]Cc1cccc(COC[C@H]2CCCO2)c1 ZINC000665294405 425540094 /nfs/dbraw/zinc/54/00/94/425540094.db2.gz OBHZNNWLRUOBRE-LZQZEXGQSA-N 1 3 318.461 2.470 20 0 DEADHO COC[C@H](CCC[NH3+])N[C@@H]1CCc2ccccc2-n2ccnc21 ZINC000665298980 425540144 /nfs/dbraw/zinc/54/01/44/425540144.db2.gz DHSUGLGDNFNFHD-JKSUJKDBSA-N 1 3 314.433 2.203 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CC[C@H]3C)CC2)CC1 ZINC000655076013 425495395 /nfs/dbraw/zinc/49/53/95/425495395.db2.gz DYEYTQTZMBBVAS-PBHICJAKSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@@H]2CCN2C(C)(C)C)CC1 ZINC000665366389 425554880 /nfs/dbraw/zinc/55/48/80/425554880.db2.gz YHARRUIYUHDYJP-HNNXBMFYSA-N 1 3 310.486 2.031 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC000655414363 425558752 /nfs/dbraw/zinc/55/87/52/425558752.db2.gz MEVUPYJZCXQIIH-LMMKCTJWSA-N 1 3 315.461 2.316 20 0 DEADHO C[C@H](CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2)N(C)Cc1ccccc1 ZINC000655447889 425569069 /nfs/dbraw/zinc/56/90/69/425569069.db2.gz IONPQHWBSQLZHT-SUMDDJOVSA-N 1 3 315.461 2.013 20 0 DEADHO CCC[C@H](C)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665638814 425610744 /nfs/dbraw/zinc/61/07/44/425610744.db2.gz CXEBFVZFBVOABY-GJZGRUSLSA-N 1 3 300.491 2.088 20 0 DEADHO CCC[C@H](C)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665638814 425610748 /nfs/dbraw/zinc/61/07/48/425610748.db2.gz CXEBFVZFBVOABY-GJZGRUSLSA-N 1 3 300.491 2.088 20 0 DEADHO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)C[C@H]1NCc2ccccc21 ZINC000659325970 425577968 /nfs/dbraw/zinc/57/79/68/425577968.db2.gz PSOPLSXHTGTISV-MOPGFXCFSA-N 1 3 321.424 2.306 20 0 DEADHO O[C@@H]1CCN(C2CC[NH+](CCCCOc3ccccc3)CC2)C1 ZINC000662159371 425579150 /nfs/dbraw/zinc/57/91/50/425579150.db2.gz ZADNLDXOGYFNRT-GOSISDBHSA-N 1 3 318.461 2.377 20 0 DEADHO N[C@@H](CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccccc1 ZINC000659347957 425583138 /nfs/dbraw/zinc/58/31/38/425583138.db2.gz KNCSMCMFATWXTN-CEXWTWQISA-N 1 3 323.440 2.338 20 0 DEADHO c1csc(CN(C[C@@H]2CCCO2)C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662248517 425599685 /nfs/dbraw/zinc/59/96/85/425599685.db2.gz DWFZINGUHAFTOI-GJZGRUSLSA-N 1 3 322.474 2.250 20 0 DEADHO COc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662249713 425602275 /nfs/dbraw/zinc/60/22/75/425602275.db2.gz YIPQCQFYJXPYGV-DLBZAZTESA-N 1 3 302.418 2.353 20 0 DEADHO COc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662249713 425602278 /nfs/dbraw/zinc/60/22/78/425602278.db2.gz YIPQCQFYJXPYGV-DLBZAZTESA-N 1 3 302.418 2.353 20 0 DEADHO COc1ccc(CN(C[C@@H]2CCC3(C[NH2+]C3)O2)C2CC2)cc1 ZINC000662249283 425602372 /nfs/dbraw/zinc/60/23/72/425602372.db2.gz SBDQBCZIYXRDQN-KRWDZBQOSA-N 1 3 302.418 2.181 20 0 DEADHO Fc1cccc(C[C@@H]2CCC[N@@H+]2C[C@@H]2CCC3(CNC3)O2)c1 ZINC000662251919 425602497 /nfs/dbraw/zinc/60/24/97/425602497.db2.gz IOEBISBTMHBQTF-IRXDYDNUSA-N 1 3 304.409 2.354 20 0 DEADHO Fc1cccc(C[C@@H]2CCC[N@H+]2C[C@@H]2CCC3(CNC3)O2)c1 ZINC000662251919 425602500 /nfs/dbraw/zinc/60/25/00/425602500.db2.gz IOEBISBTMHBQTF-IRXDYDNUSA-N 1 3 304.409 2.354 20 0 DEADHO CCN(C[C@@H]1CNCCO1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000662261170 425605846 /nfs/dbraw/zinc/60/58/46/425605846.db2.gz WTFNYIYJQAMYTA-NEWSRXKRSA-N 1 3 317.477 2.132 20 0 DEADHO CCN(C[C@@H]1CNCCO1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000662261170 425605847 /nfs/dbraw/zinc/60/58/47/425605847.db2.gz WTFNYIYJQAMYTA-NEWSRXKRSA-N 1 3 317.477 2.132 20 0 DEADHO C[NH2+]C[C@H](C)NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000659458193 425607901 /nfs/dbraw/zinc/60/79/01/425607901.db2.gz CGLGGLGCPXSXCS-GUTXKFCHSA-N 1 3 324.494 2.038 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cccc2c1CNC2 ZINC000662405159 425643098 /nfs/dbraw/zinc/64/30/98/425643098.db2.gz XEUWYRDIPQIPOZ-KBPBESRZSA-N 1 3 301.434 2.140 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cccc2c1CNC2 ZINC000662405159 425643102 /nfs/dbraw/zinc/64/31/02/425643102.db2.gz XEUWYRDIPQIPOZ-KBPBESRZSA-N 1 3 301.434 2.140 20 0 DEADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc2c(s1)CCNC2 ZINC000662405656 425643269 /nfs/dbraw/zinc/64/32/69/425643269.db2.gz ZZVAOQFUOQBGFL-QWHCGFSZSA-N 1 3 321.490 2.244 20 0 DEADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc2c(s1)CCNC2 ZINC000662405656 425643271 /nfs/dbraw/zinc/64/32/71/425643271.db2.gz ZZVAOQFUOQBGFL-QWHCGFSZSA-N 1 3 321.490 2.244 20 0 DEADHO C[NH+](C)Cc1cccc(NC2CCN([C@H]3CCOC3)CC2)c1 ZINC000655745383 425644175 /nfs/dbraw/zinc/64/41/75/425644175.db2.gz OSLCUIGGTCARFR-SFHVURJKSA-N 1 3 303.450 2.413 20 0 DEADHO C[N@H+](CCNC(=O)c1cc2c(s1)CCNC2)C1CCCCC1 ZINC000662415261 425644515 /nfs/dbraw/zinc/64/45/15/425644515.db2.gz OHABRBDSXSDTBJ-UHFFFAOYSA-N 1 3 321.490 2.388 20 0 DEADHO C[N@@H+](CCNC(=O)c1cc2c(s1)CCNC2)C1CCCCC1 ZINC000662415261 425644518 /nfs/dbraw/zinc/64/45/18/425644518.db2.gz OHABRBDSXSDTBJ-UHFFFAOYSA-N 1 3 321.490 2.388 20 0 DEADHO C[C@@H](CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)N(C)C1CC1 ZINC000662442387 425651063 /nfs/dbraw/zinc/65/10/63/425651063.db2.gz SDZXZLMCILNVJB-XJKSGUPXSA-N 1 3 315.461 2.278 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCCN(C[C@@H]3CCCO3)CC2)C1 ZINC000659837921 425665835 /nfs/dbraw/zinc/66/58/35/425665835.db2.gz ILJMOECVBBBCSW-OTWHNJEPSA-N 1 3 323.525 2.151 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCN2CCCN(C[C@@H]3CCCO3)CC2)C1 ZINC000659837921 425665839 /nfs/dbraw/zinc/66/58/39/425665839.db2.gz ILJMOECVBBBCSW-OTWHNJEPSA-N 1 3 323.525 2.151 20 0 DEADHO CC[NH+](CC)CC1CCN(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000659843448 425666261 /nfs/dbraw/zinc/66/62/61/425666261.db2.gz VEHFHQZAJRPAEC-IAGOWNOFSA-N 1 3 311.514 2.149 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C[C@@H]3NCc4ccccc43)CC[C@@H]21 ZINC000662503173 425667482 /nfs/dbraw/zinc/66/74/82/425667482.db2.gz QAIFIFATKXDWKZ-NJAFHUGGSA-N 1 3 313.445 2.164 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C[C@@H]3NCc4ccccc43)CC[C@@H]21 ZINC000662503173 425667485 /nfs/dbraw/zinc/66/74/85/425667485.db2.gz QAIFIFATKXDWKZ-NJAFHUGGSA-N 1 3 313.445 2.164 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN([C@@H]2CCO[C@H](C)C2)CC1 ZINC000659862906 425671630 /nfs/dbraw/zinc/67/16/30/425671630.db2.gz FFJGDPRAOCRWFY-XMTFNYHQSA-N 1 3 309.498 2.044 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN([C@@H]2CCO[C@H](C)C2)CC1 ZINC000659862906 425671632 /nfs/dbraw/zinc/67/16/32/425671632.db2.gz FFJGDPRAOCRWFY-XMTFNYHQSA-N 1 3 309.498 2.044 20 0 DEADHO C[C@H](CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)N1CCCC1 ZINC000662523410 425674836 /nfs/dbraw/zinc/67/48/36/425674836.db2.gz BYGDRZZPPSAEQP-PBHICJAKSA-N 1 3 315.461 2.279 20 0 DEADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc2c(s1)CCNC2 ZINC000662526945 425674875 /nfs/dbraw/zinc/67/48/75/425674875.db2.gz NPPUERUTGRSMTF-LBPRGKRZSA-N 1 3 321.490 2.196 20 0 DEADHO C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290457 425613638 /nfs/dbraw/zinc/61/36/38/425613638.db2.gz VFRQFQDIDXWSPG-NUJGCVRESA-N 1 3 321.509 2.488 20 0 DEADHO CCC(CC)NC(=O)[C@@H](C)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662299097 425617098 /nfs/dbraw/zinc/61/70/98/425617098.db2.gz ZPBXSILYWKOEOW-GDBMZVCRSA-N 1 3 309.498 2.391 20 0 DEADHO CN(CC(C)(C)[NH3+])C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000659528549 425621378 /nfs/dbraw/zinc/62/13/78/425621378.db2.gz ULDXLVGWMSYIBG-INIZCTEOSA-N 1 3 314.433 2.218 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC(C)(C)C[C@@H]1C ZINC000665763450 425639998 /nfs/dbraw/zinc/63/99/98/425639998.db2.gz AZSKPPGLXNDLAQ-GJZGRUSLSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(C)(C)C[C@@H]1C ZINC000665763450 425640001 /nfs/dbraw/zinc/64/00/01/425640001.db2.gz AZSKPPGLXNDLAQ-GJZGRUSLSA-N 1 3 312.502 2.088 20 0 DEADHO CN1CCC(N2CC[C@H]([NH2+]Cc3ccc4[nH]ccc4c3)C2)CC1 ZINC000655737044 425641484 /nfs/dbraw/zinc/64/14/84/425641484.db2.gz JSRGYPPRDKMPIC-KRWDZBQOSA-N 1 3 312.461 2.426 20 0 DEADHO NC1(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)CC2(CCC2)C1 ZINC000662814720 425742736 /nfs/dbraw/zinc/74/27/36/425742736.db2.gz LVUULEPAHUSVRK-UHFFFAOYSA-N 1 3 320.462 2.210 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662834707 425743423 /nfs/dbraw/zinc/74/34/23/425743423.db2.gz JFSVYDQWBHXPGF-OKZBNKHCSA-N 1 3 313.445 2.354 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662834707 425743426 /nfs/dbraw/zinc/74/34/26/425743426.db2.gz JFSVYDQWBHXPGF-OKZBNKHCSA-N 1 3 313.445 2.354 20 0 DEADHO [NH3+]Cc1cccc(NC(=O)N[C@H]2CCCN3CCCC[C@H]23)c1 ZINC000655906798 425681849 /nfs/dbraw/zinc/68/18/49/425681849.db2.gz AYTPUFZIKUMPOX-JKSUJKDBSA-N 1 3 302.422 2.284 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662618354 425695339 /nfs/dbraw/zinc/69/53/39/425695339.db2.gz AZGYFEMAODFPJL-ZBFHGGJFSA-N 1 3 301.434 2.210 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662618354 425695341 /nfs/dbraw/zinc/69/53/41/425695341.db2.gz AZGYFEMAODFPJL-ZBFHGGJFSA-N 1 3 301.434 2.210 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)[C@@H]2[NH2+]CCC2(C)C)N(C)C)cc1 ZINC000662663987 425705664 /nfs/dbraw/zinc/70/56/64/425705664.db2.gz RKTIYJNPAABWMS-SJORKVTESA-N 1 3 317.477 2.356 20 0 DEADHO C[C@H](CNC(=O)c1cccc2c1CNC2)[N@@H+]1CCCC[C@@H]1C ZINC000662679489 425710761 /nfs/dbraw/zinc/71/07/61/425710761.db2.gz OZEQBYWBOHGPFA-UONOGXRCSA-N 1 3 301.434 2.283 20 0 DEADHO C[C@H](CNC(=O)c1cccc2c1CNC2)[N@H+]1CCCC[C@@H]1C ZINC000662679489 425710762 /nfs/dbraw/zinc/71/07/62/425710762.db2.gz OZEQBYWBOHGPFA-UONOGXRCSA-N 1 3 301.434 2.283 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662720892 425721289 /nfs/dbraw/zinc/72/12/89/425721289.db2.gz FZHKXGJWAIAZEX-FVQBIDKESA-N 1 3 301.434 2.066 20 0 DEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc3c2CCNC3)C[C@@H]1C ZINC000662742292 425727024 /nfs/dbraw/zinc/72/70/24/425727024.db2.gz CQDAMQKBMUNJRY-GOEBONIOSA-N 1 3 315.461 2.277 20 0 DEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc3c2CCNC3)C[C@@H]1C ZINC000662742292 425727027 /nfs/dbraw/zinc/72/70/27/425727027.db2.gz CQDAMQKBMUNJRY-GOEBONIOSA-N 1 3 315.461 2.277 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000660403230 425808354 /nfs/dbraw/zinc/80/83/54/425808354.db2.gz BBUAIDOCPCFAIE-IAGOWNOFSA-N 1 3 324.513 2.282 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000660403230 425808357 /nfs/dbraw/zinc/80/83/57/425808357.db2.gz BBUAIDOCPCFAIE-IAGOWNOFSA-N 1 3 324.513 2.282 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)N(CC)CC ZINC000662842227 425746859 /nfs/dbraw/zinc/74/68/59/425746859.db2.gz NSEQBLWLVUIFHB-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO COc1cc2nccc(N[C@H]3CC[NH2+][C@H](C)C3)c2cc1OC ZINC000663239652 425820776 /nfs/dbraw/zinc/82/07/76/425820776.db2.gz OPQPIXXXSXRZSF-NEPJUHHUSA-N 1 3 301.390 2.226 20 0 DEADHO CCc1c(C)[nH+]c2ccccc2c1NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000663277248 425824820 /nfs/dbraw/zinc/82/48/20/425824820.db2.gz LWQGHJFUEDVUEE-UHFFFAOYSA-N 1 3 323.400 2.094 20 0 DEADHO CC[C@H](C(=O)NC1CC[NH+](CC2CCCCC2)CC1)N(C)C ZINC000370679440 269082057 /nfs/dbraw/zinc/08/20/57/269082057.db2.gz QUIKKGOYOZLXNB-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO N[C@@H](CC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000370861077 269086941 /nfs/dbraw/zinc/08/69/41/269086941.db2.gz LJCXYUGXZHZGBZ-WBVHZDCISA-N 1 3 301.434 2.210 20 0 DEADHO N[C@@H](CC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000370861077 269086942 /nfs/dbraw/zinc/08/69/42/269086942.db2.gz LJCXYUGXZHZGBZ-WBVHZDCISA-N 1 3 301.434 2.210 20 0 DEADHO C[C@@H]1C[C@H](C)N(CCC(=O)Nc2ccccc2F)C[C@@H]1C[NH3+] ZINC000397486166 269106571 /nfs/dbraw/zinc/10/65/71/269106571.db2.gz VAAPCHJBXMSHOB-RDBSUJKOSA-N 1 3 307.413 2.460 20 0 DEADHO C[C@H]1COCC[C@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397507393 269106815 /nfs/dbraw/zinc/10/68/15/269106815.db2.gz JXDGTDZNXZMAPG-FUHWJXTLSA-N 1 3 318.461 2.028 20 0 DEADHO CC(C)[NH2+]CCC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000398081836 269107988 /nfs/dbraw/zinc/10/79/88/269107988.db2.gz SAHOAJCOJUDKHJ-DOTOQJQBSA-N 1 3 303.450 2.154 20 0 DEADHO CCCC[N@H+](C)CCNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433928519 269135657 /nfs/dbraw/zinc/13/56/57/269135657.db2.gz AODMXPYSFNKNQA-INIZCTEOSA-N 1 3 310.486 2.034 20 0 DEADHO CCCC[N@@H+](C)CCNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433928519 269135658 /nfs/dbraw/zinc/13/56/58/269135658.db2.gz AODMXPYSFNKNQA-INIZCTEOSA-N 1 3 310.486 2.034 20 0 DEADHO CCOC(=O)N1CCC(N[C@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000497136465 269290550 /nfs/dbraw/zinc/29/05/50/269290550.db2.gz USTXMBRDANEJMF-RHSMWYFYSA-N 1 3 319.449 2.155 20 0 DEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](c1cccs1)N1CCOCC1 ZINC000514667061 269327259 /nfs/dbraw/zinc/32/72/59/269327259.db2.gz MKPQGXCKGZIPBU-HRCADAONSA-N 1 3 323.506 2.229 20 0 DEADHO CC(C)CC[C@H](O)CNC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000515166575 269345520 /nfs/dbraw/zinc/34/55/20/269345520.db2.gz VPYAYTPLIZIICM-KSZLIROESA-N 1 3 312.498 2.141 20 0 DEADHO C[N@H+](CCNC(=O)Nc1ccc2c(c1)CNC2)C1CCCC1 ZINC000515219677 269347474 /nfs/dbraw/zinc/34/74/74/269347474.db2.gz CNETYGTXROMLGG-UHFFFAOYSA-N 1 3 302.422 2.286 20 0 DEADHO C[N@@H+](CCNC(=O)Nc1ccc2c(c1)CNC2)C1CCCC1 ZINC000515219677 269347475 /nfs/dbraw/zinc/34/74/75/269347475.db2.gz CNETYGTXROMLGG-UHFFFAOYSA-N 1 3 302.422 2.286 20 0 DEADHO [NH3+][C@H]1CCC[C@@H](CNC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC000517100524 269377676 /nfs/dbraw/zinc/37/76/76/269377676.db2.gz VNBZYAVOGILPGO-CVEARBPZSA-N 1 3 322.497 2.164 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000518358370 269398654 /nfs/dbraw/zinc/39/86/54/269398654.db2.gz KJJVKAXZNBBPNN-SJORKVTESA-N 1 3 303.450 2.137 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000518358370 269398655 /nfs/dbraw/zinc/39/86/55/269398655.db2.gz KJJVKAXZNBBPNN-SJORKVTESA-N 1 3 303.450 2.137 20 0 DEADHO C[C@@H](C(=O)N1CCc2ccccc21)N1CCC2(C1)CC[NH2+]CC2 ZINC000358508069 274195796 /nfs/dbraw/zinc/19/57/96/274195796.db2.gz OEKFKUVAFVEWRI-HNNXBMFYSA-N 1 3 313.445 2.040 20 0 DEADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000426320852 274340483 /nfs/dbraw/zinc/34/04/83/274340483.db2.gz AEEGNVLREQIYEU-CKEIUWERSA-N 1 3 313.445 2.357 20 0 DEADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNC[C@@H]1CCC=CO1 ZINC000194610299 275050129 /nfs/dbraw/zinc/05/01/29/275050129.db2.gz RWSBCYGMZAQDRH-MOPGFXCFSA-N 1 3 316.445 2.426 20 0 DEADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNC[C@@H]1CCC=CO1 ZINC000194610299 275050130 /nfs/dbraw/zinc/05/01/30/275050130.db2.gz RWSBCYGMZAQDRH-MOPGFXCFSA-N 1 3 316.445 2.426 20 0 DEADHO O[C@@H]1C[NH2+]C[C@@H]1CNCCCc1c(Cl)cccc1Cl ZINC000346022467 275054459 /nfs/dbraw/zinc/05/44/59/275054459.db2.gz VAVLSWMLUPVMTL-IINYFYTJSA-N 1 3 303.233 2.096 20 0 DEADHO CC1CCC(N2CCN(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CC2)CC1 ZINC000418598263 276190394 /nfs/dbraw/zinc/19/03/94/276190394.db2.gz YQXHCKIHRRWXHV-VUROTCPHSA-N 1 3 322.497 2.162 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418707675 276253904 /nfs/dbraw/zinc/25/39/04/276253904.db2.gz BWWNZJNFIYJDLB-CVEARBPZSA-N 1 3 310.486 2.021 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000353466489 276526373 /nfs/dbraw/zinc/52/63/73/276526373.db2.gz HEWWLLWZUQQLFJ-SQNIBIBYSA-N 1 3 315.461 2.328 20 0 DEADHO CC(C)(C)N1CCC([NH2+]CC(C)(C)C2(O)CCOCC2)CC1 ZINC000417389208 277151497 /nfs/dbraw/zinc/15/14/97/277151497.db2.gz WXBNCSAVVNROIQ-UHFFFAOYSA-N 1 3 312.498 2.407 20 0 DEADHO CC(C)(C)[NH+]1CCC(NCC(C)(C)C2(O)CCOCC2)CC1 ZINC000417389208 277151499 /nfs/dbraw/zinc/15/14/99/277151499.db2.gz WXBNCSAVVNROIQ-UHFFFAOYSA-N 1 3 312.498 2.407 20 0 DEADHO CC(C)(C)O[C@@H]1C[C@@H](NC[C@@H](O)C[NH+]2CCCCC2)C1(C)C ZINC000414067585 277217684 /nfs/dbraw/zinc/21/76/84/277217684.db2.gz JCGVROGVDJDNEH-BZUAXINKSA-N 1 3 312.498 2.405 20 0 DEADHO COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccnc(OCCN(C)C)c1 ZINC000281976327 277237887 /nfs/dbraw/zinc/23/78/87/277237887.db2.gz BTWLMCAUVYSSMS-DLBZAZTESA-N 1 3 321.465 2.317 20 0 DEADHO CC(C)C[C@H](N)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000236656593 277487612 /nfs/dbraw/zinc/48/76/12/277487612.db2.gz NBQRLFIMICRZIC-SJORKVTESA-N 1 3 309.498 2.474 20 0 DEADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000353465050 277837570 /nfs/dbraw/zinc/83/75/70/277837570.db2.gz ZEWPXJMDDCJIIA-HIEASXQVSA-N 1 3 321.509 2.343 20 0 DEADHO C[C@@H]1NCCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@H]1C ZINC000417807754 278049859 /nfs/dbraw/zinc/04/98/59/278049859.db2.gz KLCKKNCTNLZBQK-GJZGRUSLSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000079116347 278186155 /nfs/dbraw/zinc/18/61/55/278186155.db2.gz WVGBEWGASJNVEX-MRXNPFEDSA-N 1 3 324.513 2.472 20 0 DEADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000418611952 278221866 /nfs/dbraw/zinc/22/18/66/278221866.db2.gz IHHGFXCUBLZYPI-JKSUJKDBSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000261532948 278241784 /nfs/dbraw/zinc/24/17/84/278241784.db2.gz ARJZTYNFKRWVSW-MAUKXSAKSA-N 1 3 303.450 2.013 20 0 DEADHO C[C@@H](CNC(=O)[C@@]1(C)CCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000237585059 278280603 /nfs/dbraw/zinc/28/06/03/278280603.db2.gz NWPUVBISGDAXOE-YJBOKZPZSA-N 1 3 303.450 2.013 20 0 DEADHO CC(C)(C)CC(=O)N1CCC([NH2+]C[C@]2(C)CCCNC2)CC1 ZINC000414903939 278303747 /nfs/dbraw/zinc/30/37/47/278303747.db2.gz JAJHRMPQRMDHBR-GOSISDBHSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@@H](NC1CC1)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000449101072 278333876 /nfs/dbraw/zinc/33/38/76/278333876.db2.gz SYPOERQJIDJAPL-OAHLLOKOSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H](NC1CC1)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000449101072 278333877 /nfs/dbraw/zinc/33/38/77/278333877.db2.gz SYPOERQJIDJAPL-OAHLLOKOSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCN(C)CC[C@@H]2C)C1 ZINC000355479229 278341706 /nfs/dbraw/zinc/34/17/06/278341706.db2.gz YTVPGSJVBHSBHX-IRXDYDNUSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCN(C)CC[C@@H]2C)C1 ZINC000355479229 278341707 /nfs/dbraw/zinc/34/17/07/278341707.db2.gz YTVPGSJVBHSBHX-IRXDYDNUSA-N 1 3 324.513 2.234 20 0 DEADHO CC1CCN(CC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000119969760 278537574 /nfs/dbraw/zinc/53/75/74/278537574.db2.gz DDGRUXJWONKIED-KRWDZBQOSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[C@](C)(O)CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422979410 278969108 /nfs/dbraw/zinc/96/91/08/278969108.db2.gz MQHSCBIZMYLPQT-NJAFHUGGSA-N 1 3 304.434 2.383 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418241436 278980942 /nfs/dbraw/zinc/98/09/42/278980942.db2.gz TTYSXZFHIYHESJ-OAGGEKHMSA-N 1 3 310.486 2.066 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000362713141 279235736 /nfs/dbraw/zinc/23/57/36/279235736.db2.gz ATJXXDQYHKKDCW-QAPCUYQASA-N 1 3 317.477 2.294 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000362713141 279235737 /nfs/dbraw/zinc/23/57/37/279235737.db2.gz ATJXXDQYHKKDCW-QAPCUYQASA-N 1 3 317.477 2.294 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000354906735 279276059 /nfs/dbraw/zinc/27/60/59/279276059.db2.gz VLTKIZOTXJOYMG-KRWDZBQOSA-N 1 3 307.482 2.338 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000104233937 279278135 /nfs/dbraw/zinc/27/81/35/279278135.db2.gz HNYQDXZKYGSSDW-KRWDZBQOSA-N 1 3 303.450 2.239 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)C1CCC1 ZINC000457541836 279329014 /nfs/dbraw/zinc/32/90/14/279329014.db2.gz UCKDEUBFCMKOKI-WBVHZDCISA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)C1CCC1 ZINC000457541836 279329016 /nfs/dbraw/zinc/32/90/16/279329016.db2.gz UCKDEUBFCMKOKI-WBVHZDCISA-N 1 3 309.498 2.297 20 0 DEADHO CCN1CCN(CCCC[NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000367094750 279356674 /nfs/dbraw/zinc/35/66/74/279356674.db2.gz QWSGQDGGLSLJEW-SFHVURJKSA-N 1 3 323.525 2.343 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000360132749 279374250 /nfs/dbraw/zinc/37/42/50/279374250.db2.gz ALMOONLGMICDPQ-GJZGRUSLSA-N 1 3 312.502 2.087 20 0 DEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000360132749 279374254 /nfs/dbraw/zinc/37/42/54/279374254.db2.gz ALMOONLGMICDPQ-GJZGRUSLSA-N 1 3 312.502 2.087 20 0 DEADHO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CC[C@H]2CCCN2C)C[C@@H](C)O1 ZINC000247451748 288191964 /nfs/dbraw/zinc/19/19/64/288191964.db2.gz ZOGSDALCLXPRQQ-TVFCKZIOSA-N 1 3 309.498 2.044 20 0 DEADHO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2CC[C@H]2CCCN2C)C[C@@H](C)O1 ZINC000247451748 288191965 /nfs/dbraw/zinc/19/19/65/288191965.db2.gz ZOGSDALCLXPRQQ-TVFCKZIOSA-N 1 3 309.498 2.044 20 0 DEADHO C[C@@H]1CN(C[C@@H]2CCCN2CC[C@H]2CCC[N@@H+]2C)C[C@@H](C)O1 ZINC000247451748 288191966 /nfs/dbraw/zinc/19/19/66/288191966.db2.gz ZOGSDALCLXPRQQ-TVFCKZIOSA-N 1 3 309.498 2.044 20 0 DEADHO C[C@@H]1CN(C[C@@H]2CCCN2CC[C@H]2CCC[N@H+]2C)C[C@@H](C)O1 ZINC000247451748 288191967 /nfs/dbraw/zinc/19/19/67/288191967.db2.gz ZOGSDALCLXPRQQ-TVFCKZIOSA-N 1 3 309.498 2.044 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H]([NH+](C)C)CC1)N1CCCCC1 ZINC000365310575 280148103 /nfs/dbraw/zinc/14/81/03/280148103.db2.gz RWOPAUYAFVODJN-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000433133849 280236360 /nfs/dbraw/zinc/23/63/60/280236360.db2.gz JEBFTVWWWXEDJI-KRWDZBQOSA-N 1 3 317.477 2.170 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCN1CCC(C)CC1 ZINC000303505436 280251466 /nfs/dbraw/zinc/25/14/66/280251466.db2.gz AXIWZCAANXPHTF-QGZVFWFLSA-N 1 3 324.513 2.282 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCCN1CCC(C)CC1 ZINC000303505436 280251469 /nfs/dbraw/zinc/25/14/69/280251469.db2.gz AXIWZCAANXPHTF-QGZVFWFLSA-N 1 3 324.513 2.282 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@H]([NH3+])C(C)C)N(C)C ZINC000418162236 292687254 /nfs/dbraw/zinc/68/72/54/292687254.db2.gz CMFUGZSZPLAECH-UAGQMJEPSA-N 1 3 320.481 2.269 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000423758163 289135429 /nfs/dbraw/zinc/13/54/29/289135429.db2.gz JRISRUNHJVUQGT-KRWDZBQOSA-N 1 3 321.509 2.347 20 0 DEADHO CN1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC2 ZINC000074301415 289177939 /nfs/dbraw/zinc/17/79/39/289177939.db2.gz UKZALRAWKAEJQH-OWCLPIDISA-N 1 3 324.513 2.231 20 0 DEADHO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420323148 289247853 /nfs/dbraw/zinc/24/78/53/289247853.db2.gz FTRTZHKYNGARGI-IKGGRYGDSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C)N1CCCCCC1 ZINC000342445003 289311260 /nfs/dbraw/zinc/31/12/60/289311260.db2.gz RCIIBYRYJCFXGB-ZACQAIPSSA-N 1 3 307.482 2.336 20 0 DEADHO CN1CCC2(CCCN2C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000367433113 289378562 /nfs/dbraw/zinc/37/85/62/289378562.db2.gz SZYLFYJQLBBKKN-HOTGVXAUSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H](CCCC[NH3+])NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000416804447 289459049 /nfs/dbraw/zinc/45/90/49/289459049.db2.gz JZVALWQXHVSNLW-ZBFHGGJFSA-N 1 3 306.454 2.106 20 0 DEADHO C[C@H](c1cccnc1)N1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000343720193 290271162 /nfs/dbraw/zinc/27/11/62/290271162.db2.gz ANVQQGSLZDOGAV-HZPDHXFCSA-N 1 3 302.466 2.243 20 0 DEADHO C[C@H](c1cccnc1)N1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000343720193 290271165 /nfs/dbraw/zinc/27/11/65/290271165.db2.gz ANVQQGSLZDOGAV-HZPDHXFCSA-N 1 3 302.466 2.243 20 0 DEADHO COc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000422717317 295121467 /nfs/dbraw/zinc/12/14/67/295121467.db2.gz VKIVPENMHANUPC-DJIMGWMZSA-N 1 3 322.424 2.124 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000332325319 295254308 /nfs/dbraw/zinc/25/43/08/295254308.db2.gz RHDDDGGDMPGYCY-IRXDYDNUSA-N 1 3 322.497 2.021 20 0 DEADHO N[C@@H](CC(F)F)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000345796907 295293221 /nfs/dbraw/zinc/29/32/21/295293221.db2.gz LMJKRPWLPRLUNU-KGLIPLIRSA-N 1 3 317.424 2.084 20 0 DEADHO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC2(CC[NH2+]C2)CC1 ZINC000431038325 298185904 /nfs/dbraw/zinc/18/59/04/298185904.db2.gz RYPQLEIZLAQYBM-OAGGEKHMSA-N 1 3 307.482 2.145 20 0 DEADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCC(C)(C)[NH3+])N(C)C ZINC000418182630 302137912 /nfs/dbraw/zinc/13/79/12/302137912.db2.gz NBVXTQQLIYXOJF-UKRRQHHQSA-N 1 3 306.454 2.023 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)[C@@H](C)C1 ZINC001424557552 1173831012 /nfs/dbraw/zinc/83/10/12/1173831012.db2.gz HFLFJZPFEJGCMZ-DOTOQJQBSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)[C@@H](C)C1 ZINC001424557552 1173831014 /nfs/dbraw/zinc/83/10/14/1173831014.db2.gz HFLFJZPFEJGCMZ-DOTOQJQBSA-N 1 3 309.498 2.486 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)c2ccccc2CC[NH3+])cc1 ZINC000573131073 326026477 /nfs/dbraw/zinc/02/64/77/326026477.db2.gz KEAURYXHOBWITN-UHFFFAOYSA-N 1 3 311.429 2.179 20 0 DEADHO [NH3+][C@H]1CCC[C@H](NCCc2ccc(OCC(F)(F)F)nc2)C1 ZINC000573267045 326039469 /nfs/dbraw/zinc/03/94/69/326039469.db2.gz XZXDAKGPEGCIED-STQMWFEESA-N 1 3 317.355 2.425 20 0 DEADHO N[C@H]1CCC[C@H]([NH2+]CCc2ccc(OCC(F)(F)F)nc2)C1 ZINC000573267045 326039470 /nfs/dbraw/zinc/03/94/70/326039470.db2.gz XZXDAKGPEGCIED-STQMWFEESA-N 1 3 317.355 2.425 20 0 DEADHO Cc1cc(NC(=O)CCC[NH3+])cc(N2CCN(C(C)C)CC2)c1 ZINC000573484602 326062367 /nfs/dbraw/zinc/06/23/67/326062367.db2.gz CEMKNCIZOSAKDM-UHFFFAOYSA-N 1 3 318.465 2.203 20 0 DEADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@H]1CNCc2ccccc21 ZINC000573805449 326094211 /nfs/dbraw/zinc/09/42/11/326094211.db2.gz BXYMDRRMKXMBPV-AEFFLSMTSA-N 1 3 315.461 2.206 20 0 DEADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@H]1CNCc2ccccc21 ZINC000573805449 326094213 /nfs/dbraw/zinc/09/42/13/326094213.db2.gz BXYMDRRMKXMBPV-AEFFLSMTSA-N 1 3 315.461 2.206 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+]C[C@H](O)CC(F)(F)F)cc1 ZINC000573834304 326096944 /nfs/dbraw/zinc/09/69/44/326096944.db2.gz XMVIHYVFAFGIJV-CYBMUJFWSA-N 1 3 320.355 2.030 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000574185879 326131194 /nfs/dbraw/zinc/13/11/94/326131194.db2.gz NXIBMLQRPUPVIT-UHFFFAOYSA-N 1 3 303.450 2.305 20 0 DEADHO CC[N@H+](C)C[C@@H](O)CN1CCC[C@@H](Cc2ccc(OC)cc2)C1 ZINC000575068997 326216066 /nfs/dbraw/zinc/21/60/66/326216066.db2.gz JUBKCKGUJRNZCP-ZWKOTPCHSA-N 1 3 320.477 2.262 20 0 DEADHO CC[N@@H+](C)C[C@@H](O)CN1CCC[C@@H](Cc2ccc(OC)cc2)C1 ZINC000575068997 326216067 /nfs/dbraw/zinc/21/60/67/326216067.db2.gz JUBKCKGUJRNZCP-ZWKOTPCHSA-N 1 3 320.477 2.262 20 0 DEADHO CNC(=O)CCCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000575327194 326234179 /nfs/dbraw/zinc/23/41/79/326234179.db2.gz RFPPXMWMTFHAQR-LJQANCHMSA-N 1 3 315.461 2.111 20 0 DEADHO CNC(=O)CCCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000575327194 326234181 /nfs/dbraw/zinc/23/41/81/326234181.db2.gz RFPPXMWMTFHAQR-LJQANCHMSA-N 1 3 315.461 2.111 20 0 DEADHO OC[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCC1 ZINC000576218791 326277381 /nfs/dbraw/zinc/27/73/81/326277381.db2.gz UUQZNQSLFOXXCJ-AOIWGVFYSA-N 1 3 316.445 2.383 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCC[C@@H](C[NH3+])C1)c1ccco1 ZINC000576331157 326285824 /nfs/dbraw/zinc/28/58/24/326285824.db2.gz QHCTXLVIPKPHHV-KKUMJFAQSA-N 1 3 322.453 2.089 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H](C)C3CC3)CC2)CC1 ZINC000580343347 335116075 /nfs/dbraw/zinc/11/60/75/335116075.db2.gz MBCHRCADYFREHG-OAHLLOKOSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C(=O)[C@]1(C)CC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388474498 333313246 /nfs/dbraw/zinc/31/32/46/333313246.db2.gz JGRDXQUSXAYESL-IEBWSBKVSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388551357 333332936 /nfs/dbraw/zinc/33/29/36/333332936.db2.gz WJUHAZBZLGLPBF-CGTJXYLNSA-N 1 3 315.461 2.107 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]([NH2+]CCC(F)(F)F)C1CC1)N(C)C ZINC001376217517 1159252474 /nfs/dbraw/zinc/25/24/74/1159252474.db2.gz UWPXLXRSPMHXDD-OLZOCXBDSA-N 1 3 323.403 2.009 20 0 DEADHO C[NH+](C)C1(CNC(=O)C[C@H](N)Cc2ccccc2)CCCCC1 ZINC000582605043 337112796 /nfs/dbraw/zinc/11/27/96/337112796.db2.gz VHVFXSPOUBCLDZ-QGZVFWFLSA-N 1 3 317.477 2.327 20 0 DEADHO CN1CCC[C@H](CNC(=O)CCCC[NH3+])[C@@H]1c1cccs1 ZINC000582783821 337160540 /nfs/dbraw/zinc/16/05/40/337160540.db2.gz UTEMXSJDUXSKAE-CZUORRHYSA-N 1 3 309.479 2.376 20 0 DEADHO CCc1noc(-c2ccc(CCN[C@H]3CCC[C@H]3[NH3+])cc2)n1 ZINC000582839684 337207563 /nfs/dbraw/zinc/20/75/63/337207563.db2.gz IBPMSVIBYYOPHN-CABCVRRESA-N 1 3 300.406 2.311 20 0 DEADHO CC[NH+]1CCC(CNC(=O)c2ccccc2CN(C)C)CC1 ZINC000583060063 337234169 /nfs/dbraw/zinc/23/41/69/337234169.db2.gz YLOAWPSWVODGHK-UHFFFAOYSA-N 1 3 303.450 2.210 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000583064619 337234881 /nfs/dbraw/zinc/23/48/81/337234881.db2.gz RTBOXUBIEATDBL-HZPDHXFCSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000583064619 337234882 /nfs/dbraw/zinc/23/48/82/337234882.db2.gz RTBOXUBIEATDBL-HZPDHXFCSA-N 1 3 324.513 2.136 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CCC(F)(F)F)C1 ZINC001376352492 1159353685 /nfs/dbraw/zinc/35/36/85/1159353685.db2.gz YKELIROEBBXJSK-CHWSQXEVSA-N 1 3 323.403 2.107 20 0 DEADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)C2)c(C)s1 ZINC001376972297 1159860526 /nfs/dbraw/zinc/86/05/26/1159860526.db2.gz RVOULXHZZXRIFO-INIZCTEOSA-N 1 3 323.506 2.396 20 0 DEADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CCN1CCc1cccs1 ZINC001397050785 1159920684 /nfs/dbraw/zinc/92/06/84/1159920684.db2.gz QWSVWXYGXPCQQB-HNNXBMFYSA-N 1 3 323.506 2.165 20 0 DEADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CCN1CCc1cccs1 ZINC001397050785 1159920698 /nfs/dbraw/zinc/92/06/98/1159920698.db2.gz QWSVWXYGXPCQQB-HNNXBMFYSA-N 1 3 323.506 2.165 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1Cc1ccc(F)cc1 ZINC001089038172 782130205 /nfs/dbraw/zinc/13/02/05/782130205.db2.gz HSGRELMRPPPMPW-PBHICJAKSA-N 1 3 319.424 2.001 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)CN2CCCC2)CC[N@@H+]1Cc1ccc(F)cc1 ZINC001089038172 782130219 /nfs/dbraw/zinc/13/02/19/782130219.db2.gz HSGRELMRPPPMPW-PBHICJAKSA-N 1 3 319.424 2.001 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)CN2CCCC2)CC[N@H+]1Cc1ccc(F)cc1 ZINC001089038172 782130221 /nfs/dbraw/zinc/13/02/21/782130221.db2.gz HSGRELMRPPPMPW-PBHICJAKSA-N 1 3 319.424 2.001 20 0 DEADHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccsc1 ZINC001378306561 1152286293 /nfs/dbraw/zinc/28/62/93/1152286293.db2.gz XCHXDWRGOASWQV-UKRRQHHQSA-N 1 3 309.479 2.074 20 0 DEADHO CC[C@@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]CC1CC2(CCC2)C1 ZINC001378315424 1152289771 /nfs/dbraw/zinc/28/97/71/1152289771.db2.gz IDUFMMPJDWYSNG-HOTGVXAUSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H](F)CC[NH+]1CC([C@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001378536046 1152366698 /nfs/dbraw/zinc/36/66/98/1152366698.db2.gz FTUGXDYXNIZJLB-KGLIPLIRSA-N 1 3 315.477 2.149 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001398590928 1161005920 /nfs/dbraw/zinc/00/59/20/1161005920.db2.gz ZHQRNPKRKUJHNC-DLBZAZTESA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001398590928 1161005931 /nfs/dbraw/zinc/00/59/31/1161005931.db2.gz ZHQRNPKRKUJHNC-DLBZAZTESA-N 1 3 309.498 2.296 20 0 DEADHO CC[C@H](C(=O)N(C)C1CC([NH2+]CC2CCCCC2)C1)N(C)C ZINC001369577473 1149048006 /nfs/dbraw/zinc/04/80/06/1149048006.db2.gz DIZAMVPEKYDPKQ-OFLPRAFFSA-N 1 3 309.498 2.486 20 0 DEADHO CC[N@H+](C)CCC(=O)NCC1(NCc2cncs2)CCCC1 ZINC001378717566 1152422726 /nfs/dbraw/zinc/42/27/26/1152422726.db2.gz RHFBENLGCPVTKE-UHFFFAOYSA-N 1 3 324.494 2.004 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCC1(NCc2cncs2)CCCC1 ZINC001378717566 1152422729 /nfs/dbraw/zinc/42/27/29/1152422729.db2.gz RHFBENLGCPVTKE-UHFFFAOYSA-N 1 3 324.494 2.004 20 0 DEADHO C[C@H](NCC1CCN(CC(F)(F)F)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423060422 533838789 /nfs/dbraw/zinc/83/87/89/533838789.db2.gz IDWJBZDETVGETB-JSGCOSHPSA-N 1 3 307.404 2.381 20 0 DEADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422827318 533871171 /nfs/dbraw/zinc/87/11/71/533871171.db2.gz SDCBQXUQXIBESD-MNOVXSKESA-N 1 3 313.829 2.393 20 0 DEADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418472368 533895582 /nfs/dbraw/zinc/89/55/82/533895582.db2.gz WMVFYHKWMHVUJY-RDJZCZTQSA-N 1 3 324.513 2.280 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1csc(C)c1)N(C)C ZINC001378826898 1152459494 /nfs/dbraw/zinc/45/94/94/1152459494.db2.gz GYQQRGHHECZJFV-DOMZBBRYSA-N 1 3 311.495 2.333 20 0 DEADHO COc1ccc(NC(=O)CCN2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1 ZINC000422635618 534068815 /nfs/dbraw/zinc/06/88/15/534068815.db2.gz LTFWIITYANLUGX-ZNMIVQPWSA-N 1 3 319.449 2.329 20 0 DEADHO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](CN)[C@@H](C)C[C@H]2C)cc1 ZINC000422635618 534068821 /nfs/dbraw/zinc/06/88/21/534068821.db2.gz LTFWIITYANLUGX-ZNMIVQPWSA-N 1 3 319.449 2.329 20 0 DEADHO COc1ccc(NC(=O)CC[N@H+]2C[C@H](CN)[C@@H](C)C[C@H]2C)cc1 ZINC000422635618 534068833 /nfs/dbraw/zinc/06/88/33/534068833.db2.gz LTFWIITYANLUGX-ZNMIVQPWSA-N 1 3 319.449 2.329 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](N[C@H]2CCOC[C@H]2[C@H](C)[NH3+])C1 ZINC000422735931 534132447 /nfs/dbraw/zinc/13/24/47/534132447.db2.gz FORREXZVPQLJHN-XJWCYLOLSA-N 1 3 317.477 2.164 20 0 DEADHO Cc1cc(C[NH+](C)C)cc(N[C@H](C2CC2)[C@H]2CNCCO2)c1 ZINC000423028150 534166949 /nfs/dbraw/zinc/16/69/49/534166949.db2.gz QFWOPHMKQPAGRR-QZTJIDSGSA-N 1 3 303.450 2.236 20 0 DEADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CCC[C@H]3[NH3+])cc2)C[C@H](C)O1 ZINC000422806034 534472568 /nfs/dbraw/zinc/47/25/68/534472568.db2.gz HQKONPDNSJESHP-WTLGNFPFSA-N 1 3 317.477 2.265 20 0 DEADHO C[C@@H]1CN(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3N)cc2)C[C@H](C)O1 ZINC000422806034 534472576 /nfs/dbraw/zinc/47/25/76/534472576.db2.gz HQKONPDNSJESHP-WTLGNFPFSA-N 1 3 317.477 2.265 20 0 DEADHO CC[NH+](CC)CCCNC(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000337369572 520613675 /nfs/dbraw/zinc/61/36/75/520613675.db2.gz OJWJRAHFFNEMCV-HZPDHXFCSA-N 1 3 312.502 2.280 20 0 DEADHO CCC[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001402006923 1162213905 /nfs/dbraw/zinc/21/39/05/1162213905.db2.gz ZJMGECJFRYMVIA-SFHVURJKSA-N 1 3 309.498 2.299 20 0 DEADHO CCC[N@H+]1CC[C@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001402006923 1162213910 /nfs/dbraw/zinc/21/39/10/1162213910.db2.gz ZJMGECJFRYMVIA-SFHVURJKSA-N 1 3 309.498 2.299 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000104136774 521588858 /nfs/dbraw/zinc/58/88/58/521588858.db2.gz LRBLFWMUNACROC-GOSISDBHSA-N 1 3 317.477 2.499 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000104136774 521588865 /nfs/dbraw/zinc/58/88/65/521588865.db2.gz LRBLFWMUNACROC-GOSISDBHSA-N 1 3 317.477 2.499 20 0 DEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)CCC1CC[NH2+]CC1 ZINC000155940742 521855690 /nfs/dbraw/zinc/85/56/90/521855690.db2.gz FOTHOTRSNMTIDH-SFHVURJKSA-N 1 3 317.477 2.055 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)c1 ZINC001368667502 1148563109 /nfs/dbraw/zinc/56/31/09/1148563109.db2.gz NZVYKYLGZVLGNO-AEFFLSMTSA-N 1 3 317.477 2.272 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001402084654 1162241262 /nfs/dbraw/zinc/24/12/62/1162241262.db2.gz VDZOUWPKTFMAGK-CVEARBPZSA-N 1 3 313.461 2.047 20 0 DEADHO Cc1cnccc1C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000294964141 534707932 /nfs/dbraw/zinc/70/79/32/534707932.db2.gz CPVQUVFJJUELOE-ZWKOTPCHSA-N 1 3 303.450 2.248 20 0 DEADHO C[NH+](C)CC1CCN(C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000339484657 524048710 /nfs/dbraw/zinc/04/87/10/524048710.db2.gz SEXBWYWNKBMTSM-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N(C)CCN2CCCC2)C1 ZINC000112743471 524220288 /nfs/dbraw/zinc/22/02/88/524220288.db2.gz JQNOIDSEIMDCDQ-QGZVFWFLSA-N 1 3 324.513 2.236 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(C)CCN2CCCC2)C1 ZINC000112743471 524220295 /nfs/dbraw/zinc/22/02/95/524220295.db2.gz JQNOIDSEIMDCDQ-QGZVFWFLSA-N 1 3 324.513 2.236 20 0 DEADHO C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000248958664 524848641 /nfs/dbraw/zinc/84/86/41/524848641.db2.gz BWKTYQLCGYRHRA-ZOBUZTSGSA-N 1 3 303.450 2.093 20 0 DEADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)N[C@@H]1CC[NH2+]C1 ZINC000422731182 526697148 /nfs/dbraw/zinc/69/71/48/526697148.db2.gz NBOHJXKCZYZCCT-MSOLQXFVSA-N 1 3 301.478 2.411 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)[C@@H](N)c1ccccc1 ZINC000417830305 527523639 /nfs/dbraw/zinc/52/36/39/527523639.db2.gz JDUCLERQYFPTOW-KBMXLJTQSA-N 1 3 303.450 2.346 20 0 DEADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](C)NC1CC1 ZINC000294801170 528200028 /nfs/dbraw/zinc/20/00/28/528200028.db2.gz PLYPBMTYHUJWKL-AWEZNQCLSA-N 1 3 303.450 2.285 20 0 DEADHO CC[NH2+]CCNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000417675566 528311768 /nfs/dbraw/zinc/31/17/68/528311768.db2.gz CDOILOYTLFQBAG-OAHLLOKOSA-N 1 3 318.465 2.121 20 0 DEADHO CC(C)[C@@H](CN[C@H](C)C[C@H]1CCCCC[NH2+]1)N1CCOCC1 ZINC000422801332 528465256 /nfs/dbraw/zinc/46/52/56/528465256.db2.gz FGIGFPDZTGVDJB-KZNAEPCWSA-N 1 3 311.514 2.244 20 0 DEADHO CC(C)[C@@H](N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000292608489 528499384 /nfs/dbraw/zinc/49/93/84/528499384.db2.gz XEXFLJUCCMSKAD-USXIJHARSA-N 1 3 303.450 2.139 20 0 DEADHO CC(C)[C@@H](N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000292608489 528499390 /nfs/dbraw/zinc/49/93/90/528499390.db2.gz XEXFLJUCCMSKAD-USXIJHARSA-N 1 3 303.450 2.139 20 0 DEADHO CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418405515 528524717 /nfs/dbraw/zinc/52/47/17/528524717.db2.gz LFBJYDNKKCYPTJ-IRXDYDNUSA-N 1 3 314.433 2.122 20 0 DEADHO CC(C)n1cc([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cn1 ZINC000442874454 528577431 /nfs/dbraw/zinc/57/74/31/528577431.db2.gz MEXBFGMTXKXLMK-HNNXBMFYSA-N 1 3 307.486 2.141 20 0 DEADHO CCOC(=O)C1([C@@H](C)NCc2ccccc2F)CC[NH2+]CC1 ZINC000422760405 528610153 /nfs/dbraw/zinc/61/01/53/528610153.db2.gz MCTNPIJCFXSQQN-CYBMUJFWSA-N 1 3 308.397 2.237 20 0 DEADHO CCCc1nc(C)c(CN(C)CCN(C)C2CC[NH+](C)CC2)o1 ZINC000428305001 528717830 /nfs/dbraw/zinc/71/78/30/528717830.db2.gz YLEWKWDQJNPPEJ-UHFFFAOYSA-N 1 3 322.497 2.393 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418502279 528779630 /nfs/dbraw/zinc/77/96/30/528779630.db2.gz ULXSVPWACPQLRI-KRWDZBQOSA-N 1 3 318.465 2.017 20 0 DEADHO CC(C)[C@H](C(=O)NC1CCC([NH+](C)C)CC1)N1CCCCC1 ZINC000422013567 528915367 /nfs/dbraw/zinc/91/53/67/528915367.db2.gz XLFKTUWREXSUEP-OFLPRAFFSA-N 1 3 309.498 2.486 20 0 DEADHO CCS(=O)(=O)c1ccc(CN[C@@H](C)CCCC[NH3+])s1 ZINC000423083966 529156555 /nfs/dbraw/zinc/15/65/55/529156555.db2.gz GQWMCYXUUWDPBO-NSHDSACASA-N 1 3 304.481 2.149 20 0 DEADHO CC(C)[NH+](CCN(C)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C)C(C)C ZINC000355960595 535058931 /nfs/dbraw/zinc/05/89/31/535058931.db2.gz LAKXGFJIABCTCN-WBVHZDCISA-N 1 3 324.513 2.229 20 0 DEADHO CCC(CC)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C)N1CCOCC1 ZINC000192646651 535146461 /nfs/dbraw/zinc/14/64/61/535146461.db2.gz UANPYGPBLJTYMQ-IPQPSQTFSA-N 1 3 323.525 2.338 20 0 DEADHO CCC(CC)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCOCC1 ZINC000192646651 535146463 /nfs/dbraw/zinc/14/64/63/535146463.db2.gz UANPYGPBLJTYMQ-IPQPSQTFSA-N 1 3 323.525 2.338 20 0 DEADHO CCC(CC)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCOCC1 ZINC000192646651 535146468 /nfs/dbraw/zinc/14/64/68/535146468.db2.gz UANPYGPBLJTYMQ-IPQPSQTFSA-N 1 3 323.525 2.338 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N(C)[C@H]2CCN(C(C)C)C2)CC1 ZINC000458155439 535265228 /nfs/dbraw/zinc/26/52/28/535265228.db2.gz GNODOUNSWAGWIU-KRWDZBQOSA-N 1 3 324.513 2.375 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000372506566 535974869 /nfs/dbraw/zinc/97/48/69/535974869.db2.gz WXHGKCPMPUDQAU-CYBMUJFWSA-N 1 3 315.417 2.366 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CCCC23CC[NH+](C)CC3)cc1 ZINC000374327106 535995215 /nfs/dbraw/zinc/99/52/15/535995215.db2.gz VHSQENMRCSRCQH-UHFFFAOYSA-N 1 3 315.461 2.449 20 0 DEADHO CCc1ccc(CN2CC[N@@H+](C3CCN(C)CC3)[C@@H](C)C2)o1 ZINC000349331552 536175821 /nfs/dbraw/zinc/17/58/21/536175821.db2.gz LOMFEEAMWNUNHF-HNNXBMFYSA-N 1 3 305.466 2.442 20 0 DEADHO CCc1ccc(CN2CC[N@H+](C3CCN(C)CC3)[C@@H](C)C2)o1 ZINC000349331552 536175822 /nfs/dbraw/zinc/17/58/22/536175822.db2.gz LOMFEEAMWNUNHF-HNNXBMFYSA-N 1 3 305.466 2.442 20 0 DEADHO CN[C@@H](CC(C)(C)C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000449139597 536351465 /nfs/dbraw/zinc/35/14/65/536351465.db2.gz LRJRAXSITIWLOI-PMPSAXMXSA-N 1 3 309.498 2.484 20 0 DEADHO CN[C@@H](CC(C)(C)C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000449139597 536351467 /nfs/dbraw/zinc/35/14/67/536351467.db2.gz LRJRAXSITIWLOI-PMPSAXMXSA-N 1 3 309.498 2.484 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccsc1)C(C)C)N(C)C ZINC001378988331 1152519995 /nfs/dbraw/zinc/51/99/95/1152519995.db2.gz JUTOUOYXQHTVRB-GJZGRUSLSA-N 1 3 311.495 2.319 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(F)cc1)C(C)C)N(C)C ZINC001379005374 1152527152 /nfs/dbraw/zinc/52/71/52/1152527152.db2.gz ZXKVUFNOCHUGAN-IAGOWNOFSA-N 1 3 323.456 2.396 20 0 DEADHO C[C@@H](CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CC1CC1 ZINC001379211314 1152590936 /nfs/dbraw/zinc/59/09/36/1152590936.db2.gz BTXCSEWGKXDERX-SUMWQHHRSA-N 1 3 313.461 2.045 20 0 DEADHO C[NH+](C)CC1CCC([NH2+]Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC000825860078 607539074 /nfs/dbraw/zinc/53/90/74/607539074.db2.gz LVXWEGTUUCGANC-UHFFFAOYSA-N 1 3 320.466 2.138 20 0 DEADHO C[NH+](C)CC1CCC([NH2+]Cc2cc(-c3nn[n-]n3)cs2)CC1 ZINC000825860078 607539076 /nfs/dbraw/zinc/53/90/76/607539076.db2.gz LVXWEGTUUCGANC-UHFFFAOYSA-N 1 3 320.466 2.138 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001362145846 1152834640 /nfs/dbraw/zinc/83/46/40/1152834640.db2.gz DAVYEJMHKZQHTM-YYIAUSFCSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001362145846 1152834642 /nfs/dbraw/zinc/83/46/42/1152834642.db2.gz DAVYEJMHKZQHTM-YYIAUSFCSA-N 1 3 309.498 2.342 20 0 DEADHO CC[C@H](F)C[NH2+]C1(CNC(=O)CN(C)CC(C)(C)C)CCC1 ZINC001380882406 1152872450 /nfs/dbraw/zinc/87/24/50/1152872450.db2.gz SJUVRQCRIJTAMC-AWEZNQCLSA-N 1 3 315.477 2.341 20 0 DEADHO CN(CC(=O)N[C@@H]1CC[N@H+](CC2CC2)CC1(C)C)C1CCC1 ZINC001381145901 1152925501 /nfs/dbraw/zinc/92/55/01/1152925501.db2.gz WEZZQQWXIYFUHC-MRXNPFEDSA-N 1 3 307.482 2.097 20 0 DEADHO CN(CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC1(C)C)C1CCC1 ZINC001381145901 1152925509 /nfs/dbraw/zinc/92/55/09/1152925509.db2.gz WEZZQQWXIYFUHC-MRXNPFEDSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC001362630367 1153017600 /nfs/dbraw/zinc/01/76/00/1153017600.db2.gz FKLOISPGYSODMM-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC001362630367 1153017606 /nfs/dbraw/zinc/01/76/06/1153017606.db2.gz FKLOISPGYSODMM-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]1CC[NH+]1CCC(C)CC1)N(C)C ZINC001363272739 1153306887 /nfs/dbraw/zinc/30/68/87/1153306887.db2.gz LHYCWCGSRBRAKK-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1)N(C)C ZINC001019395680 625484377 /nfs/dbraw/zinc/48/43/77/625484377.db2.gz HFJKBKJFLSDXOJ-JQFCIGGWSA-N 1 3 321.440 2.417 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC1CCC([NH2+]CC2CC2)CC1 ZINC001026504062 625486121 /nfs/dbraw/zinc/48/61/21/625486121.db2.gz UUKUZZSEMDXNOC-JCYILVPMSA-N 1 3 307.482 2.288 20 0 DEADHO C[C@H]1CCN(CC(=O)NC2CCC([NH2+]CCC3CC3)CC2)C1 ZINC001026561318 625524007 /nfs/dbraw/zinc/52/40/07/625524007.db2.gz VUJFQUWZPIJKNN-OOHWJJMZSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)=CCN1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000969829235 622936694 /nfs/dbraw/zinc/93/66/94/622936694.db2.gz AVCALAAXCLKFJM-SJORKVTESA-N 1 3 321.509 2.367 20 0 DEADHO CC(C)=CCN1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000969829235 622936695 /nfs/dbraw/zinc/93/66/95/622936695.db2.gz AVCALAAXCLKFJM-SJORKVTESA-N 1 3 321.509 2.367 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC001020980688 623235443 /nfs/dbraw/zinc/23/54/43/623235443.db2.gz RGDQBOUGXGNQJB-ZOBUZTSGSA-N 1 3 324.428 2.185 20 0 DEADHO CCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC000970529877 623523615 /nfs/dbraw/zinc/52/36/15/623523615.db2.gz UTXXDQLZJLUSNS-RDJZCZTQSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CC2)C1 ZINC001024185662 625661094 /nfs/dbraw/zinc/66/10/94/625661094.db2.gz DYLIBKNMLDDEBV-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1ccc(C)c(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC000970717259 623640187 /nfs/dbraw/zinc/64/01/87/623640187.db2.gz MMJUCGIMHONARD-GOSISDBHSA-N 1 3 315.461 2.090 20 0 DEADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)c1ccc(F)cc1 ZINC000970719623 623641918 /nfs/dbraw/zinc/64/19/18/623641918.db2.gz JSTHSTWJRAHVEL-RHSMWYFYSA-N 1 3 319.424 2.173 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1 ZINC001026726267 625689221 /nfs/dbraw/zinc/68/92/21/625689221.db2.gz UZCDUIGNBOODEL-MSOLQXFVSA-N 1 3 315.461 2.027 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC2=CCCCC2)C1)C1CC1 ZINC000971687587 624505138 /nfs/dbraw/zinc/50/51/38/624505138.db2.gz ZSBRSYJYIUWUQI-ZWKOTPCHSA-N 1 3 319.493 2.360 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC2=CCCCC2)C1)C1CC1 ZINC000971687587 624505140 /nfs/dbraw/zinc/50/51/40/624505140.db2.gz ZSBRSYJYIUWUQI-ZWKOTPCHSA-N 1 3 319.493 2.360 20 0 DEADHO CC1CC(C[N@H+](C)[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000971688262 624505276 /nfs/dbraw/zinc/50/52/76/624505276.db2.gz VIESPAGWAWXJDG-VMBOVVBDSA-N 1 3 307.482 2.050 20 0 DEADHO CC1CC(C[N@@H+](C)[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000971688262 624505277 /nfs/dbraw/zinc/50/52/77/624505277.db2.gz VIESPAGWAWXJDG-VMBOVVBDSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(F)cc2)C1)N(C)C ZINC000971779063 624546064 /nfs/dbraw/zinc/54/60/64/624546064.db2.gz QLWVMBJOVJMAOQ-DLBZAZTESA-N 1 3 321.440 2.199 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(F)cc2)C1)N(C)C ZINC000971779063 624546065 /nfs/dbraw/zinc/54/60/65/624546065.db2.gz QLWVMBJOVJMAOQ-DLBZAZTESA-N 1 3 321.440 2.199 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CC2=CCCCC2)C1)N(C)C ZINC000971784606 624547257 /nfs/dbraw/zinc/54/72/57/624547257.db2.gz LEQQCRJVLSXYEO-DLBZAZTESA-N 1 3 307.482 2.360 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC2=CCCCC2)C1)N(C)C ZINC000971784606 624547258 /nfs/dbraw/zinc/54/72/58/624547258.db2.gz LEQQCRJVLSXYEO-DLBZAZTESA-N 1 3 307.482 2.360 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001022714055 624867110 /nfs/dbraw/zinc/86/71/10/624867110.db2.gz PUWBWHCOGDOWFO-NXHRZFHOSA-N 1 3 315.461 2.074 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001022714469 624867707 /nfs/dbraw/zinc/86/77/07/624867707.db2.gz VMJVILPEAMPNPO-BHYGNILZSA-N 1 3 307.482 2.145 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC2=CCCCC2)C1)N(C)C ZINC000972354261 624938861 /nfs/dbraw/zinc/93/88/61/624938861.db2.gz LEQQCRJVLSXYEO-SJORKVTESA-N 1 3 307.482 2.360 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2=CCCCC2)C1)N(C)C ZINC000972354261 624938863 /nfs/dbraw/zinc/93/88/63/624938863.db2.gz LEQQCRJVLSXYEO-SJORKVTESA-N 1 3 307.482 2.360 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C)cc2)C1)N(C)C ZINC000972355433 624939753 /nfs/dbraw/zinc/93/97/53/624939753.db2.gz WBCFIJHTQNURPG-ROUUACIJSA-N 1 3 317.477 2.368 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2)C1)N(C)C ZINC000972355433 624939754 /nfs/dbraw/zinc/93/97/54/624939754.db2.gz WBCFIJHTQNURPG-ROUUACIJSA-N 1 3 317.477 2.368 20 0 DEADHO CC(C)CN1CCC([NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000892531974 625107389 /nfs/dbraw/zinc/10/73/89/625107389.db2.gz GNHHCDDXXCMIGW-HOTGVXAUSA-N 1 3 314.445 2.330 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001019774896 625831739 /nfs/dbraw/zinc/83/17/39/625831739.db2.gz MRWSAUQZJOGGOC-AEFFLSMTSA-N 1 3 315.461 2.342 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3)C2)CCC1 ZINC000999349310 634569642 /nfs/dbraw/zinc/56/96/42/634569642.db2.gz SKKRGJXYGZBLEN-KRWDZBQOSA-N 1 3 315.461 2.252 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCC2CCCC2)C1)C1CC1 ZINC000999373847 634570749 /nfs/dbraw/zinc/57/07/49/634570749.db2.gz RJAXAOFIFNKUSZ-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC1CC(C[NH2+][C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000999366355 634577361 /nfs/dbraw/zinc/57/73/61/634577361.db2.gz XEHYNDHXRBDMQN-UYSNPLJNSA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CC2=CCCCC2)C1)C1CC1 ZINC000999369013 634576625 /nfs/dbraw/zinc/57/66/25/634576625.db2.gz ILAPMIKFIGVMNA-ROUUACIJSA-N 1 3 319.493 2.408 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001000219612 634798232 /nfs/dbraw/zinc/79/82/32/634798232.db2.gz AEYZNYFCTREDHY-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[NH2+][C@H]1CN(C(=O)[C@H]2CCCN2C(C)C)CC1(C)C ZINC000995797633 633119512 /nfs/dbraw/zinc/11/95/12/633119512.db2.gz MPEHJBAOBNZXBF-CVEARBPZSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC000995806294 633120090 /nfs/dbraw/zinc/12/00/90/633120090.db2.gz WCTKUTZBDGVIJE-HZPDHXFCSA-N 1 3 307.482 2.096 20 0 DEADHO CN(C)C1(C(=O)N2C[C@H]([NH2+]CCC3CC3)C(C)(C)C2)CCC1 ZINC000995882687 633137283 /nfs/dbraw/zinc/13/72/83/633137283.db2.gz AAMIDXJIXXCOFG-HNNXBMFYSA-N 1 3 307.482 2.097 20 0 DEADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCC1CCCC1 ZINC000996353673 633245263 /nfs/dbraw/zinc/24/52/63/633245263.db2.gz CBNHFAHQTZLCIR-MRXNPFEDSA-N 1 3 318.465 2.359 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001026916105 633262453 /nfs/dbraw/zinc/26/24/53/633262453.db2.gz AMNULHMRTVYDTL-NVXWUHKLSA-N 1 3 321.440 2.104 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001026916962 633263117 /nfs/dbraw/zinc/26/31/17/633263117.db2.gz UBYJLMCSKAFZKB-DOTOQJQBSA-N 1 3 321.509 2.345 20 0 DEADHO CC1(C)C[N@H+](CC2CCC2)C[C@@H]1NC(=O)C12CCCN1CCC2 ZINC000974772609 633296418 /nfs/dbraw/zinc/29/64/18/633296418.db2.gz HGGLCRQDXSUVGY-INIZCTEOSA-N 1 3 319.493 2.242 20 0 DEADHO CC1(C)C[N@@H+](CC2CCC2)C[C@@H]1NC(=O)C12CCCN1CCC2 ZINC000974772609 633296425 /nfs/dbraw/zinc/29/64/25/633296425.db2.gz HGGLCRQDXSUVGY-INIZCTEOSA-N 1 3 319.493 2.242 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001027065171 633385908 /nfs/dbraw/zinc/38/59/08/633385908.db2.gz SCLXJVVHMHOJQC-CVEARBPZSA-N 1 3 321.509 2.203 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]CC3CCCCC3)C2)C1 ZINC001027064901 633385993 /nfs/dbraw/zinc/38/59/93/633385993.db2.gz MMRQBABMAGGWNE-SJLPKXTDSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]CC3CCCC3)CC2)C1 ZINC000997008518 633561177 /nfs/dbraw/zinc/56/11/77/633561177.db2.gz VCTKLGYLNVQRJR-OAHLLOKOSA-N 1 3 307.482 2.099 20 0 DEADHO CN(CC(=O)N1CCC[C@H]([N@H+](C)CC2CCC2)C1)C1CCC1 ZINC001027442502 633795674 /nfs/dbraw/zinc/79/56/74/633795674.db2.gz WCYSMRNONLDXAM-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO CN(CC(=O)N1CCC[C@H]([N@@H+](C)CC2CCC2)C1)C1CCC1 ZINC001027442502 633795679 /nfs/dbraw/zinc/79/56/79/633795679.db2.gz WCYSMRNONLDXAM-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)N[C@H]1C[N@H+](CC)CC1(C)C ZINC000977455351 633993888 /nfs/dbraw/zinc/99/38/88/633993888.db2.gz YPAKHYYCSAIQLO-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)N[C@H]1C[N@@H+](CC)CC1(C)C ZINC000977455351 633993892 /nfs/dbraw/zinc/99/38/92/633993892.db2.gz YPAKHYYCSAIQLO-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([N@H+](C)CC3CCCC3)C2)C1 ZINC001027575928 634182907 /nfs/dbraw/zinc/18/29/07/634182907.db2.gz GQGKVQTVGQRWCX-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([N@@H+](C)CC3CCCC3)C2)C1 ZINC001027575928 634182911 /nfs/dbraw/zinc/18/29/11/634182911.db2.gz GQGKVQTVGQRWCX-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001027879876 634853636 /nfs/dbraw/zinc/85/36/36/634853636.db2.gz ZQOCOOKRRYGANQ-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001027879876 634853638 /nfs/dbraw/zinc/85/36/38/634853638.db2.gz ZQOCOOKRRYGANQ-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2CC=C(C)C)CC[N@@H+]1C ZINC001027892669 634890959 /nfs/dbraw/zinc/89/09/59/634890959.db2.gz BOMQMPJIBBKVJW-YESZJQIVSA-N 1 3 307.482 2.264 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2CC=C(C)C)CC[N@H+]1C ZINC001027892669 634890962 /nfs/dbraw/zinc/89/09/62/634890962.db2.gz BOMQMPJIBBKVJW-YESZJQIVSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC000980478371 635016149 /nfs/dbraw/zinc/01/61/49/635016149.db2.gz OTKJNUAKWWIMTF-INIZCTEOSA-N 1 3 303.450 2.303 20 0 DEADHO CC(C)[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC000980478371 635016154 /nfs/dbraw/zinc/01/61/54/635016154.db2.gz OTKJNUAKWWIMTF-INIZCTEOSA-N 1 3 303.450 2.303 20 0 DEADHO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001000311569 635141682 /nfs/dbraw/zinc/14/16/82/635141682.db2.gz JLTBOIOKUXRLCR-GDBMZVCRSA-N 1 3 312.417 2.294 20 0 DEADHO Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)cc1 ZINC001000316073 635144448 /nfs/dbraw/zinc/14/44/48/635144448.db2.gz FIGOPVBTSINDJI-MRXNPFEDSA-N 1 3 312.417 2.041 20 0 DEADHO CCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1CC(C)C ZINC001027986356 635165272 /nfs/dbraw/zinc/16/52/72/635165272.db2.gz VGRVLEWGOLNHQW-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1CC(C)C ZINC001027986356 635165275 /nfs/dbraw/zinc/16/52/75/635165275.db2.gz VGRVLEWGOLNHQW-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1CC(C)C ZINC001027986355 635165457 /nfs/dbraw/zinc/16/54/57/635165457.db2.gz VGRVLEWGOLNHQW-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1CC(C)C ZINC001027986355 635165460 /nfs/dbraw/zinc/16/54/60/635165460.db2.gz VGRVLEWGOLNHQW-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000931767070 635360280 /nfs/dbraw/zinc/36/02/80/635360280.db2.gz BTYMUNWMHLNNJT-IRXDYDNUSA-N 1 3 307.482 2.336 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CCC[N@H+](C[C@H](C)CC)CC1 ZINC000981282897 635421509 /nfs/dbraw/zinc/42/15/09/635421509.db2.gz JPIRHGBBKCAMJT-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CCC[N@@H+](C[C@H](C)CC)CC1 ZINC000981282897 635421511 /nfs/dbraw/zinc/42/15/11/635421511.db2.gz JPIRHGBBKCAMJT-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO Cc1cc(C(F)(F)F)nn1CCN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000925805352 635443844 /nfs/dbraw/zinc/44/38/44/635443844.db2.gz STUAXLRRYNODOD-RYUDHWBXSA-N 1 3 304.360 2.188 20 0 DEADHO CC(C)=CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001028098645 635515197 /nfs/dbraw/zinc/51/51/97/635515197.db2.gz ULPXUVHEVWTVAV-YESZJQIVSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)=CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001028098645 635515200 /nfs/dbraw/zinc/51/52/00/635515200.db2.gz ULPXUVHEVWTVAV-YESZJQIVSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)=CC[N@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC000981825872 635673100 /nfs/dbraw/zinc/67/31/00/635673100.db2.gz RPUKPHOFKMJJAZ-KRWDZBQOSA-N 1 3 321.509 2.463 20 0 DEADHO CC(C)=CC[N@@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC000981825872 635673102 /nfs/dbraw/zinc/67/31/02/635673102.db2.gz RPUKPHOFKMJJAZ-KRWDZBQOSA-N 1 3 321.509 2.463 20 0 DEADHO OC1(C2(C[NH2+][C@@H]3CCNC[C@@H]3C3CCCC3)CC2)CCOCC1 ZINC000925826176 635746365 /nfs/dbraw/zinc/74/63/65/635746365.db2.gz LBGDJDMMPQSXIT-IAGOWNOFSA-N 1 3 322.493 2.066 20 0 DEADHO CC(C)CC[N@@H+]1CCCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC000982013109 635811320 /nfs/dbraw/zinc/81/13/20/635811320.db2.gz LCQFKNDLMHWKKV-KRWDZBQOSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)CC[N@H+]1CCCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC000982013109 635811326 /nfs/dbraw/zinc/81/13/26/635811326.db2.gz LCQFKNDLMHWKKV-KRWDZBQOSA-N 1 3 321.509 2.299 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCCC2(CN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC000982019467 635815173 /nfs/dbraw/zinc/81/51/73/635815173.db2.gz XBRNFHMCGVOTTJ-HOTGVXAUSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C)C[N@H+]1CCCC2(CN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC000982019467 635815175 /nfs/dbraw/zinc/81/51/75/635815175.db2.gz XBRNFHMCGVOTTJ-HOTGVXAUSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@@H+]1CCCC2(CN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC000982160071 635893174 /nfs/dbraw/zinc/89/31/74/635893174.db2.gz QAYXHCPVCZXLNL-UHFFFAOYSA-N 1 3 315.461 2.306 20 0 DEADHO CC[N@H+]1CCCC2(CN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC000982160071 635893178 /nfs/dbraw/zinc/89/31/78/635893178.db2.gz QAYXHCPVCZXLNL-UHFFFAOYSA-N 1 3 315.461 2.306 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@]2(C)C[N@@H+](C(C)C)C[C@]2(C)C1)N(C)C ZINC000982301330 635956945 /nfs/dbraw/zinc/95/69/45/635956945.db2.gz LNGAWSUMOFYQPU-RYQLBKOJSA-N 1 3 309.498 2.151 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@]2(C)C[N@H+](C(C)C)C[C@]2(C)C1)N(C)C ZINC000982301330 635956948 /nfs/dbraw/zinc/95/69/48/635956948.db2.gz LNGAWSUMOFYQPU-RYQLBKOJSA-N 1 3 309.498 2.151 20 0 DEADHO CCC(CC)(C[NH3+])C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000236678968 635991670 /nfs/dbraw/zinc/99/16/70/635991670.db2.gz SKPMBKDRHLYUBM-INIZCTEOSA-N 1 3 305.466 2.041 20 0 DEADHO CN1C[C@@H](C[NH2+]Cc2cnn(CCF)c2)[C@H](c2ccccc2)C1 ZINC000922213011 636007038 /nfs/dbraw/zinc/00/70/38/636007038.db2.gz WAMYDTIVKLHHCK-MSOLQXFVSA-N 1 3 316.424 2.288 20 0 DEADHO C[C@H]1CCN(CC(=O)NC2CC[NH+](CCC3CCCC3)CC2)C1 ZINC001003632441 636008607 /nfs/dbraw/zinc/00/86/07/636008607.db2.gz ZWPNNKKQZJFZOJ-INIZCTEOSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)N3CCCC3)C[C@@]2(C)C1 ZINC000982429664 636019409 /nfs/dbraw/zinc/01/94/09/636019409.db2.gz QTNJGLUNPPJWSE-KDURUIRLSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)N3CCCC3)C[C@@]2(C)C1 ZINC000982429664 636019412 /nfs/dbraw/zinc/01/94/12/636019412.db2.gz QTNJGLUNPPJWSE-KDURUIRLSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1ccnn1C(C)C)C2 ZINC000922387750 636141970 /nfs/dbraw/zinc/14/19/70/636141970.db2.gz APQHSLYHDLBNKK-BRSBDYLESA-N 1 3 320.481 2.033 20 0 DEADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1ccnn1C(C)C)C2 ZINC000922387750 636141973 /nfs/dbraw/zinc/14/19/73/636141973.db2.gz APQHSLYHDLBNKK-BRSBDYLESA-N 1 3 320.481 2.033 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cccc(O)c3)C2)[C@@H]1C(C)C ZINC000922391517 636154045 /nfs/dbraw/zinc/15/40/45/636154045.db2.gz FFCUUBUFBASFJL-AKHDSKFASA-N 1 3 318.461 2.352 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cccc(O)c3)C2)[C@@H]1C(C)C ZINC000922391517 636154050 /nfs/dbraw/zinc/15/40/50/636154050.db2.gz FFCUUBUFBASFJL-AKHDSKFASA-N 1 3 318.461 2.352 20 0 DEADHO F[C@@H]1CC2(CC[C@@H]1[NH2+]C1CC(N3CCCCC3)C1)OCCO2 ZINC000894170981 636381569 /nfs/dbraw/zinc/38/15/69/636381569.db2.gz CGJDGPQKGWSOMI-FJBKBRRZSA-N 1 3 312.429 2.227 20 0 DEADHO CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001004457403 636458513 /nfs/dbraw/zinc/45/85/13/636458513.db2.gz KOPPVDYXIPQQIG-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001004457403 636458517 /nfs/dbraw/zinc/45/85/17/636458517.db2.gz KOPPVDYXIPQQIG-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001004460853 636460658 /nfs/dbraw/zinc/46/06/58/636460658.db2.gz XJNWUBITJKWZIC-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001004460853 636460664 /nfs/dbraw/zinc/46/06/64/636460664.db2.gz XJNWUBITJKWZIC-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO O[C@H](Cn1c2ccccc2c2ccccc21)C[N@@H+]1CCCNCC1 ZINC000923278687 637079014 /nfs/dbraw/zinc/07/90/14/637079014.db2.gz ZMNDCQBTVLDEBK-INIZCTEOSA-N 1 3 323.440 2.451 20 0 DEADHO O[C@H](Cn1c2ccccc2c2ccccc21)C[N@H+]1CCCNCC1 ZINC000923278687 637079019 /nfs/dbraw/zinc/07/90/19/637079019.db2.gz ZMNDCQBTVLDEBK-INIZCTEOSA-N 1 3 323.440 2.451 20 0 DEADHO COc1cc(CN(C)C[C@@H]2CC3(C[NH2+]C3)CO2)ccc1SC ZINC000923310643 637110296 /nfs/dbraw/zinc/11/02/96/637110296.db2.gz LZKOWMVHYJAMSF-AWEZNQCLSA-N 1 3 322.474 2.227 20 0 DEADHO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923374054 637145031 /nfs/dbraw/zinc/14/50/31/637145031.db2.gz UIFIBUHBEJOMEU-CTBOZYAPSA-N 1 3 306.450 2.181 20 0 DEADHO Cc1cccc(OC[C@H](O)CN2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000923385510 637154287 /nfs/dbraw/zinc/15/42/87/637154287.db2.gz CGEHMMDONPBDAX-LZLYRXPVSA-N 1 3 306.450 2.184 20 0 DEADHO Fc1cccc(F)c1[C@@H]1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923427232 637171752 /nfs/dbraw/zinc/17/17/52/637171752.db2.gz IPILUQNOGBEIDO-OLZOCXBDSA-N 1 3 308.372 2.133 20 0 DEADHO CC1(C)[C@H]([NH3+])C[C@H]1NC[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000923420111 637174755 /nfs/dbraw/zinc/17/47/55/637174755.db2.gz GBMZUYAPBSOSIC-MGPQQGTHSA-N 1 3 316.367 2.324 20 0 DEADHO COC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1C ZINC000894742542 637191625 /nfs/dbraw/zinc/19/16/25/637191625.db2.gz IAWYBCZRESEIOX-MQVJKMGUSA-N 1 3 302.418 2.496 20 0 DEADHO CCC[C@H](NC(=O)CN1CC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000923490825 637210015 /nfs/dbraw/zinc/21/00/15/637210015.db2.gz VWHMDDZHECRACT-WBVHZDCISA-N 1 3 303.450 2.315 20 0 DEADHO C[C@H](c1ccccc1)N(C)C(=O)CN1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923502118 637213225 /nfs/dbraw/zinc/21/32/25/637213225.db2.gz YLJSNKHMSJERPF-INMHGKMJSA-N 1 3 303.450 2.123 20 0 DEADHO CC1CCC(N(C(=O)CN2CC[C@@H](C[NH3+])[C@@H](C)C2)C2CC2)CC1 ZINC000923500927 637217021 /nfs/dbraw/zinc/21/70/21/637217021.db2.gz RZJPIBBMBXPQCK-YZUHTNEWSA-N 1 3 321.509 2.473 20 0 DEADHO CCc1ccc([C@H](C)NC(=O)CN2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923503940 637218484 /nfs/dbraw/zinc/21/84/84/637218484.db2.gz MUEFFKGWPLINRR-RLFYNMQTSA-N 1 3 317.477 2.343 20 0 DEADHO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923504942 637219974 /nfs/dbraw/zinc/21/99/74/637219974.db2.gz XBCGZBFMLIGFFY-ANQUJSFKSA-N 1 3 315.461 2.269 20 0 DEADHO C[N@@H+]1CC[C@H]2CN(C[C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000895841129 638220860 /nfs/dbraw/zinc/22/08/60/638220860.db2.gz DLJOTAIXANJPDL-JONQDZQNSA-N 1 3 323.481 2.316 20 0 DEADHO C[N@H+]1CC[C@H]2CN(C[C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000895841129 638220862 /nfs/dbraw/zinc/22/08/62/638220862.db2.gz DLJOTAIXANJPDL-JONQDZQNSA-N 1 3 323.481 2.316 20 0 DEADHO CC(C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000984797958 638692903 /nfs/dbraw/zinc/69/29/03/638692903.db2.gz NZJINBNXKMOHLQ-CKEIUWERSA-N 1 3 313.461 2.092 20 0 DEADHO CC(C)[NH2+]C[C@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000985149234 639082152 /nfs/dbraw/zinc/08/21/52/639082152.db2.gz MSHSHAANWXBLIV-JCNLHEQBSA-N 1 3 303.450 2.255 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[N@H+](C)CC3CCCC3)C2)C1 ZINC001029840404 639534975 /nfs/dbraw/zinc/53/49/75/639534975.db2.gz YAHNQDICYKFOKE-FUHWJXTLSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[N@@H+](C)CC3CCCC3)C2)C1 ZINC001029840404 639534978 /nfs/dbraw/zinc/53/49/78/639534978.db2.gz YAHNQDICYKFOKE-FUHWJXTLSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@H]1[C@@H]([NH2+]Cc2cccc(F)c2)CCN1C(=O)CN1CCCC1 ZINC000987520151 640211529 /nfs/dbraw/zinc/21/15/29/640211529.db2.gz BKBAWCGRZAWJFE-YOEHRIQHSA-N 1 3 319.424 2.001 20 0 DEADHO C[C@H]1[C@@H]([NH2+]Cc2ccc(F)cc2)CCN1C(=O)CN1CCCC1 ZINC000987521101 640211885 /nfs/dbraw/zinc/21/18/85/640211885.db2.gz WXTRMMPARDBDCI-YOEHRIQHSA-N 1 3 319.424 2.001 20 0 DEADHO C[C@H]1[C@H]([NH2+]CC2CCCCC2)CCN1C(=O)CN1CCCC1 ZINC000987534709 640214660 /nfs/dbraw/zinc/21/46/60/640214660.db2.gz WEYXQINMPMHHSW-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)NCC2([NH3+])CCCCC2)cc(Cl)n1 ZINC000841845163 650577858 /nfs/dbraw/zinc/57/78/58/650577858.db2.gz LTKSKKGBGCHZKQ-ZDUSSCGKSA-N 1 3 324.856 2.211 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C2(N(C)C)CCC2)C1 ZINC000762974643 640488337 /nfs/dbraw/zinc/48/83/37/640488337.db2.gz NTVIUTCBKDIPIB-IYBDPMFKSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C2(N(C)C)CCC2)C1 ZINC000762974643 640488339 /nfs/dbraw/zinc/48/83/39/640488339.db2.gz NTVIUTCBKDIPIB-IYBDPMFKSA-N 1 3 309.498 2.345 20 0 DEADHO COC(=O)C[C@@H](Cc1ccccc1)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000898297053 641091440 /nfs/dbraw/zinc/09/14/40/641091440.db2.gz IQBHYKGFWWQLJW-BHYGNILZSA-N 1 3 304.434 2.233 20 0 DEADHO COC(=O)C[C@@H](Cc1ccccc1)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000898297053 641091443 /nfs/dbraw/zinc/09/14/43/641091443.db2.gz IQBHYKGFWWQLJW-BHYGNILZSA-N 1 3 304.434 2.233 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[N@H+](CCC2CC2)CC1 ZINC000989728851 641211693 /nfs/dbraw/zinc/21/16/93/641211693.db2.gz YFQPQJPAGWXIPG-IYBDPMFKSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[N@@H+](CCC2CC2)CC1 ZINC000989728851 641211695 /nfs/dbraw/zinc/21/16/95/641211695.db2.gz YFQPQJPAGWXIPG-IYBDPMFKSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC2CCCCC2)CN1C(=O)CN1CCCC1 ZINC000989795823 641234924 /nfs/dbraw/zinc/23/49/24/641234924.db2.gz CGUDVKHUCOJDAN-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC000990276332 641430045 /nfs/dbraw/zinc/43/00/45/641430045.db2.gz HJNKMQUSTDYBEE-INIZCTEOSA-N 1 3 307.482 2.097 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000926904073 641461008 /nfs/dbraw/zinc/46/10/08/641461008.db2.gz DHZXLBGRKNWFEY-ZBBUEOHVSA-N 1 3 306.372 2.416 20 0 DEADHO COc1cccc(N2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)c1 ZINC000774170054 641871888 /nfs/dbraw/zinc/87/18/88/641871888.db2.gz PVQRKRBZPTYJLM-XYTVBORESA-N 1 3 315.461 2.489 20 0 DEADHO COc1cccc(N2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC000774170054 641871891 /nfs/dbraw/zinc/87/18/91/641871891.db2.gz PVQRKRBZPTYJLM-XYTVBORESA-N 1 3 315.461 2.489 20 0 DEADHO CN(C)Cc1cccc(NC(=O)NC2(C3CC[NH2+]CC3)CC2)c1 ZINC000900478200 642382209 /nfs/dbraw/zinc/38/22/09/642382209.db2.gz QMFVHZUDDQPYJI-UHFFFAOYSA-N 1 3 316.449 2.402 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CC[C@H]3CC[C@]32C[NH3+])c1 ZINC000900486889 642384886 /nfs/dbraw/zinc/38/48/86/642384886.db2.gz UCEOJBSYJVTXSX-PBHICJAKSA-N 1 3 302.422 2.093 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)c1 ZINC000900475137 642387820 /nfs/dbraw/zinc/38/78/20/642387820.db2.gz UMOHSCVNSNCPLZ-GOSISDBHSA-N 1 3 316.449 2.498 20 0 DEADHO [NH3+]CCCC[C@@H](NC[C@H]1COCCO1)c1ccc(F)cc1F ZINC000902321719 642991025 /nfs/dbraw/zinc/99/10/25/642991025.db2.gz XMXKHUVDQNCYKM-XJKSGUPXSA-N 1 3 314.376 2.140 20 0 DEADHO C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cnccc1N ZINC000902504027 643054844 /nfs/dbraw/zinc/05/48/44/643054844.db2.gz VLODBUDVDSLRAN-IRWQIABSSA-N 1 3 324.428 2.401 20 0 DEADHO OC[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)Cc1ccco1 ZINC000903111845 643252797 /nfs/dbraw/zinc/25/27/97/643252797.db2.gz CYFGHGJHDDXWMQ-YTTRVJOFSA-N 1 3 304.434 2.178 20 0 DEADHO OC[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)Cc1ccco1 ZINC000903111845 643252800 /nfs/dbraw/zinc/25/28/00/643252800.db2.gz CYFGHGJHDDXWMQ-YTTRVJOFSA-N 1 3 304.434 2.178 20 0 DEADHO Fc1ccc(O[C@H]2CCN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C2)cc1 ZINC000903780581 643460256 /nfs/dbraw/zinc/46/02/56/643460256.db2.gz JKLNTSFIEXXGKU-KSZLIROESA-N 1 3 320.408 2.047 20 0 DEADHO CCOC(=O)[C@@H](CCc1ccccc1)N1CC[C@@H](CC[NH3+])C1 ZINC000903788372 643462284 /nfs/dbraw/zinc/46/22/84/643462284.db2.gz JCLIMFLVWRHUSW-IAGOWNOFSA-N 1 3 304.434 2.222 20 0 DEADHO FCCn1cc(CN2CCC([C@@H]3CCC[NH2+]CC3)CC2)cn1 ZINC000903788527 643463567 /nfs/dbraw/zinc/46/35/67/643463567.db2.gz NFBIECZETJBXSV-MRXNPFEDSA-N 1 3 308.445 2.454 20 0 DEADHO FC(F)C(F)(F)CN1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903893418 643498275 /nfs/dbraw/zinc/49/82/75/643498275.db2.gz VBHDRJSKHJQBJX-YHWZYXNKSA-N 1 3 323.378 2.035 20 0 DEADHO Cc1c(C[C@@H](CN)C[NH2+]CCc2cccc(Cl)c2)cnn1C ZINC000903921235 643508155 /nfs/dbraw/zinc/50/81/55/643508155.db2.gz NTBPTPKHSMBAFK-HNNXBMFYSA-N 1 3 320.868 2.332 20 0 DEADHO COCCOc1ccc(C[NH2+]C[C@@H]2CNCCC2(F)F)cc1 ZINC000903955844 643529334 /nfs/dbraw/zinc/52/93/34/643529334.db2.gz ZZGKEFIONZWPPM-AWEZNQCLSA-N 1 3 314.376 2.046 20 0 DEADHO CCN(CC1CC[NH+](C)CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000788480540 643615449 /nfs/dbraw/zinc/61/54/49/643615449.db2.gz LCEYZDBBMKWALL-SFHVURJKSA-N 1 3 315.461 2.456 20 0 DEADHO CN(C(=O)[C@H]1CCN(C[C@@]2(C)CCC[NH2+]C2)C1)c1ccccc1 ZINC000904350992 643643185 /nfs/dbraw/zinc/64/31/85/643643185.db2.gz SYTUIJLUOJGPCC-LPHOPBHVSA-N 1 3 315.461 2.361 20 0 DEADHO O[C@H](CC[C@H](O)c1ccccc1)CN[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000905045631 643769137 /nfs/dbraw/zinc/76/91/37/643769137.db2.gz KXSSLGQTORSQLF-MKXGPGLRSA-N 1 3 318.461 2.078 20 0 DEADHO O[C@H](CC[C@H](O)c1ccccc1)CN[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000905045631 643769142 /nfs/dbraw/zinc/76/91/42/643769142.db2.gz KXSSLGQTORSQLF-MKXGPGLRSA-N 1 3 318.461 2.078 20 0 DEADHO COc1ccc2c(c1)[nH+]ccc2N1CCN(C[C@H](C)O)C[C@H]1C ZINC000795141329 644527944 /nfs/dbraw/zinc/52/79/44/644527944.db2.gz SHJMABFKMHRPJU-KGLIPLIRSA-N 1 3 315.417 2.135 20 0 DEADHO COc1ccc2c(c1)nccc2N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000795141329 644527947 /nfs/dbraw/zinc/52/79/47/644527947.db2.gz SHJMABFKMHRPJU-KGLIPLIRSA-N 1 3 315.417 2.135 20 0 DEADHO COc1ccc2c(c1)nccc2N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000795141329 644527953 /nfs/dbraw/zinc/52/79/53/644527953.db2.gz SHJMABFKMHRPJU-KGLIPLIRSA-N 1 3 315.417 2.135 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(C3CC3)C[C@@H](C)C2)C1 ZINC000908503351 644892049 /nfs/dbraw/zinc/89/20/49/644892049.db2.gz IKFNKKKBFWOZEJ-HZPDHXFCSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCN(C3CC3)C[C@@H](C)C2)C1 ZINC000908503351 644892056 /nfs/dbraw/zinc/89/20/56/644892056.db2.gz IKFNKKKBFWOZEJ-HZPDHXFCSA-N 1 3 307.482 2.051 20 0 DEADHO Cc1ccc(N2CC[C@@H](N3CCC4(CC[NH2+]C4)CC3)C2=O)cc1 ZINC000843388168 650964453 /nfs/dbraw/zinc/96/44/53/650964453.db2.gz YDHPGKKCAMDJOU-QGZVFWFLSA-N 1 3 313.445 2.176 20 0 DEADHO CN(C)[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000911666586 645769519 /nfs/dbraw/zinc/76/95/19/645769519.db2.gz JBJPGSXXEIYWON-DLBZAZTESA-N 1 3 318.465 2.073 20 0 DEADHO CN(C)[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000911666586 645769522 /nfs/dbraw/zinc/76/95/22/645769522.db2.gz JBJPGSXXEIYWON-DLBZAZTESA-N 1 3 318.465 2.073 20 0 DEADHO C[C@]1(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CN2CCC1CC2 ZINC000912378369 646038466 /nfs/dbraw/zinc/03/84/66/646038466.db2.gz ILWMBYSKPYKKQY-BEFAXECRSA-N 1 3 319.493 2.242 20 0 DEADHO C[C@]1(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CN2CCC1CC2 ZINC000912378369 646038470 /nfs/dbraw/zinc/03/84/70/646038470.db2.gz ILWMBYSKPYKKQY-BEFAXECRSA-N 1 3 319.493 2.242 20 0 DEADHO C[NH+](C)CCc1ccc(C(=O)N[C@]2(C)CN3CCC2CC3)cc1 ZINC000912374647 646048210 /nfs/dbraw/zinc/04/82/10/646048210.db2.gz OWFKBFKKGYYHJT-LJQANCHMSA-N 1 3 315.461 2.005 20 0 DEADHO C[C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)N1CCCCC1 ZINC000810182046 646335467 /nfs/dbraw/zinc/33/54/67/646335467.db2.gz KJVPKBSAVFDOJR-PBHICJAKSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)N1CCCCC1 ZINC000810182046 646335470 /nfs/dbraw/zinc/33/54/70/646335470.db2.gz KJVPKBSAVFDOJR-PBHICJAKSA-N 1 3 313.461 2.190 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810379559 646357368 /nfs/dbraw/zinc/35/73/68/646357368.db2.gz ZVIFWIPSEPZPKZ-RHSMWYFYSA-N 1 3 313.461 2.190 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810379559 646357374 /nfs/dbraw/zinc/35/73/74/646357374.db2.gz ZVIFWIPSEPZPKZ-RHSMWYFYSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000813522520 646782522 /nfs/dbraw/zinc/78/25/22/646782522.db2.gz YIEMBLQHTCWSHV-ZBFHGGJFSA-N 1 3 303.450 2.278 20 0 DEADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCCc3cnn(C)n3)CC2)C1 ZINC000815639983 647037418 /nfs/dbraw/zinc/03/74/18/647037418.db2.gz MOGUYAFNSDKDDB-CRAIPNDOSA-N 1 3 319.497 2.380 20 0 DEADHO CC(C)[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]21 ZINC000992820666 647280212 /nfs/dbraw/zinc/28/02/12/647280212.db2.gz UDWWTMFCKXGCTL-IXDOHACOSA-N 1 3 321.509 2.343 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000817890420 647371441 /nfs/dbraw/zinc/37/14/41/647371441.db2.gz SZRYLSUKYJCUAZ-GTNSWQLSSA-N 1 3 303.381 2.372 20 0 DEADHO C[C@@H]1CCNC[C@H]1[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC000817889191 647371952 /nfs/dbraw/zinc/37/19/52/647371952.db2.gz NTXSEPIEOZPABD-HONMWMINSA-N 1 3 302.340 2.326 20 0 DEADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc(N2CCCCC2=O)cc1 ZINC000817894139 647373886 /nfs/dbraw/zinc/37/38/86/647373886.db2.gz KAYRLAXHUJQKAX-WBVHZDCISA-N 1 3 301.434 2.421 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000817912885 647380060 /nfs/dbraw/zinc/38/00/60/647380060.db2.gz KFNSICVIVHCJIX-BDJLRTHQSA-N 1 3 305.447 2.469 20 0 DEADHO CCCC[C@H](CN)[NH2+][C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000817961772 647394408 /nfs/dbraw/zinc/39/44/08/647394408.db2.gz BXZAOLXZMGLSBJ-QRQLOZEOSA-N 1 3 319.493 2.383 20 0 DEADHO C[C@@H](CC(=O)Nc1cccnc1Cl)N[C@H]1CCC[NH2+]CC1 ZINC000817968476 647396566 /nfs/dbraw/zinc/39/65/66/647396566.db2.gz JYHVNSHALWLXHY-RYUDHWBXSA-N 1 3 310.829 2.184 20 0 DEADHO C[C@H](CC(=O)Nc1cccnc1Cl)NCCC[NH2+]C1CC1 ZINC000817983380 647400491 /nfs/dbraw/zinc/40/04/91/647400491.db2.gz BCHCWJDIYOOEFG-LLVKDONJSA-N 1 3 310.829 2.184 20 0 DEADHO CCOCC[C@@H](O)CNC1CC[NH+](CC2CCCCC2)CC1 ZINC000818983927 647557721 /nfs/dbraw/zinc/55/77/21/647557721.db2.gz RCVDMLTXCVLACJ-GOSISDBHSA-N 1 3 312.498 2.408 20 0 DEADHO CCOCC[C@@H](O)C[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000818983927 647557723 /nfs/dbraw/zinc/55/77/23/647557723.db2.gz RCVDMLTXCVLACJ-GOSISDBHSA-N 1 3 312.498 2.408 20 0 DEADHO CCCC[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001015696040 647777311 /nfs/dbraw/zinc/77/73/11/647777311.db2.gz TYTOANKVPOKXOZ-YOEHRIQHSA-N 1 3 313.461 2.190 20 0 DEADHO CCCC[N@H+]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001015696040 647777320 /nfs/dbraw/zinc/77/73/20/647777320.db2.gz TYTOANKVPOKXOZ-YOEHRIQHSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000826752392 648921236 /nfs/dbraw/zinc/92/12/36/648921236.db2.gz ZZSUNXPQAZUZOY-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000826752392 648921240 /nfs/dbraw/zinc/92/12/40/648921240.db2.gz ZZSUNXPQAZUZOY-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)CC(=O)CC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000828256709 649156452 /nfs/dbraw/zinc/15/64/52/649156452.db2.gz FYYVEIZYONZQKM-UHFFFAOYSA-N 1 3 323.525 2.341 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)N2CCC[C@H](CC[NH3+])C2)cc(Cl)n1 ZINC000834703422 649833512 /nfs/dbraw/zinc/83/35/12/649833512.db2.gz JRVCNCNNYZZLQM-OCCSQVGLSA-N 1 3 324.856 2.021 20 0 DEADHO CC[NH2+]CC(=O)N(CC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000844177675 651087092 /nfs/dbraw/zinc/08/70/92/651087092.db2.gz MAOWEOQKFZXHMQ-RDJZCZTQSA-N 1 3 303.450 2.280 20 0 DEADHO COc1cc(F)ccc1N1CCN(CCCCCC[NH3+])CC1 ZINC000846219722 651316052 /nfs/dbraw/zinc/31/60/52/651316052.db2.gz FNZBSTHKUUMTMN-UHFFFAOYSA-N 1 3 309.429 2.475 20 0 DEADHO CN(CCN1CCCCC1)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000846613459 651341209 /nfs/dbraw/zinc/34/12/09/651341209.db2.gz FWMGDSJBPCEZIT-KRWDZBQOSA-N 1 3 313.461 2.143 20 0 DEADHO CN(CCN1CCCCC1)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000846613459 651341210 /nfs/dbraw/zinc/34/12/10/651341210.db2.gz FWMGDSJBPCEZIT-KRWDZBQOSA-N 1 3 313.461 2.143 20 0 DEADHO CCCC[N@H+](C)CC1CCN(C[C@H]2CN(CC)C(=O)O2)CC1 ZINC000846776427 651350979 /nfs/dbraw/zinc/35/09/79/651350979.db2.gz PWWURWKLDLIJAS-INIZCTEOSA-N 1 3 311.470 2.271 20 0 DEADHO CCCC[N@@H+](C)CC1CCN(C[C@H]2CN(CC)C(=O)O2)CC1 ZINC000846776427 651350981 /nfs/dbraw/zinc/35/09/81/651350981.db2.gz PWWURWKLDLIJAS-INIZCTEOSA-N 1 3 311.470 2.271 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])NCC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000848992633 651574020 /nfs/dbraw/zinc/57/40/20/651574020.db2.gz NWXLTNSBUPWWBC-FZKCQIBNSA-N 1 3 310.486 2.178 20 0 DEADHO C/C(=C/C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccco1 ZINC000855344828 651678896 /nfs/dbraw/zinc/67/88/96/651678896.db2.gz GZIYRGCHIUJNOO-ZSMUJPCHSA-N 1 3 307.438 2.071 20 0 DEADHO C/C(=C/C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccco1 ZINC000855344828 651678899 /nfs/dbraw/zinc/67/88/99/651678899.db2.gz GZIYRGCHIUJNOO-ZSMUJPCHSA-N 1 3 307.438 2.071 20 0 DEADHO CO[C@@H](C)C[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856603789 651957532 /nfs/dbraw/zinc/95/75/32/651957532.db2.gz OOAHNCLRIWPRGI-YJBOKZPZSA-N 1 3 321.465 2.410 20 0 DEADHO CO[C@@H](C)C[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856603789 651957536 /nfs/dbraw/zinc/95/75/36/651957536.db2.gz OOAHNCLRIWPRGI-YJBOKZPZSA-N 1 3 321.465 2.410 20 0 DEADHO c1ccc(CNC2CC[NH+](CCC3OCCCO3)CC2)cc1 ZINC000852114431 652344005 /nfs/dbraw/zinc/34/40/05/652344005.db2.gz GPJAEFGNMWBLRY-UHFFFAOYSA-N 1 3 304.434 2.394 20 0 DEADHO CN(CC(=O)NCC1C[NH+](CC2CCCC2)C1)CC(C)(C)C ZINC001373535663 1157085717 /nfs/dbraw/zinc/08/57/17/1157085717.db2.gz BOCRDRUHDNTKIT-UHFFFAOYSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)CCCN1CC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001375317954 1158474341 /nfs/dbraw/zinc/47/43/41/1158474341.db2.gz KFFDMMXQXLSANX-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CCCN1CC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001375317954 1158474375 /nfs/dbraw/zinc/47/43/75/1158474375.db2.gz KFFDMMXQXLSANX-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CN(C(=O)C[C@@H]([NH3+])C1CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388728851 685430000 /nfs/dbraw/zinc/43/00/00/685430000.db2.gz BFKVBVNHHNSPMQ-ZWKOTPCHSA-N 1 3 315.461 2.237 20 0 DEADHO COCC(COC)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000395526143 685460126 /nfs/dbraw/zinc/46/01/26/685460126.db2.gz YQIUENFINIVUGB-ZWKOTPCHSA-N 1 3 318.461 2.102 20 0 DEADHO COCC(COC)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000395526143 685460129 /nfs/dbraw/zinc/46/01/29/685460129.db2.gz YQIUENFINIVUGB-ZWKOTPCHSA-N 1 3 318.461 2.102 20 0 DEADHO CC[C@H](F)CNC1(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001375434552 1158675697 /nfs/dbraw/zinc/67/56/97/1158675697.db2.gz DFAPPSNYCFUENU-GJZGRUSLSA-N 1 3 313.461 2.093 20 0 DEADHO CC[C@H](F)CNC1(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001375434552 1158675709 /nfs/dbraw/zinc/67/57/09/1158675709.db2.gz DFAPPSNYCFUENU-GJZGRUSLSA-N 1 3 313.461 2.093 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1cccc(Cl)c1 ZINC000104156094 684058745 /nfs/dbraw/zinc/05/87/45/684058745.db2.gz QNKTWSDPJQGZFD-OAHLLOKOSA-N 1 3 308.857 2.271 20 0 DEADHO CC(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001054145904 693861556 /nfs/dbraw/zinc/86/15/56/693861556.db2.gz ZQWAAQUARIXWSP-MJGOQNOKSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001054145904 693861559 /nfs/dbraw/zinc/86/15/59/693861559.db2.gz ZQWAAQUARIXWSP-MJGOQNOKSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001054145905 693862261 /nfs/dbraw/zinc/86/22/61/693862261.db2.gz ZQWAAQUARIXWSP-PKOBYXMFSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001054145905 693862264 /nfs/dbraw/zinc/86/22/64/693862264.db2.gz ZQWAAQUARIXWSP-PKOBYXMFSA-N 1 3 321.509 2.297 20 0 DEADHO CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001054192275 693876183 /nfs/dbraw/zinc/87/61/83/693876183.db2.gz SZVVJVSTTFKWGU-AEFFLSMTSA-N 1 3 309.498 2.297 20 0 DEADHO CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001054192275 693876184 /nfs/dbraw/zinc/87/61/84/693876184.db2.gz SZVVJVSTTFKWGU-AEFFLSMTSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@@H](F)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205351 693882512 /nfs/dbraw/zinc/88/25/12/693882512.db2.gz PPEBSWRESNLJQG-RHSMWYFYSA-N 1 3 322.428 2.015 20 0 DEADHO C[C@@H](F)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205351 693882514 /nfs/dbraw/zinc/88/25/14/693882514.db2.gz PPEBSWRESNLJQG-RHSMWYFYSA-N 1 3 322.428 2.015 20 0 DEADHO Cc1csc(=O)n1CCN(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212281 685681996 /nfs/dbraw/zinc/68/19/96/685681996.db2.gz MFUAKFPLOWPQLV-UHFFFAOYSA-N 1 3 319.474 2.412 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)N(C)C[C@H](C)[NH3+])N2CCCC2)cc1 ZINC000861568746 686146642 /nfs/dbraw/zinc/14/66/42/686146642.db2.gz ZSMTYBPQWYEVSN-DOTOQJQBSA-N 1 3 318.465 2.121 20 0 DEADHO CC(C)N(CC[N@H+](C)CC1CCCC1)C(=O)[C@@H]1CCCN1C ZINC001394801558 1158784048 /nfs/dbraw/zinc/78/40/48/1158784048.db2.gz LUPZWVZOQTZJNE-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(CC[N@@H+](C)CC1CCCC1)C(=O)[C@@H]1CCCN1C ZINC001394801558 1158784070 /nfs/dbraw/zinc/78/40/70/1158784070.db2.gz LUPZWVZOQTZJNE-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO C[NH2+]CCOCCN(C)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000863553929 686521477 /nfs/dbraw/zinc/52/14/77/686521477.db2.gz MVEGWJIQGWAVET-UHFFFAOYSA-N 1 3 318.417 2.078 20 0 DEADHO CC(C)N(C)CC(=O)NC1(C2CC[NH+](CCCF)CC2)CC1 ZINC001394859372 1158816556 /nfs/dbraw/zinc/81/65/56/1158816556.db2.gz GJOSICDXAFWFKB-UHFFFAOYSA-N 1 3 313.461 2.047 20 0 DEADHO CCc1ncc(CN2CCC(N3CC[NH+](C(C)C)CC3)CC2)o1 ZINC000930130112 694096870 /nfs/dbraw/zinc/09/68/70/694096870.db2.gz GUCDZKJEFAILIW-UHFFFAOYSA-N 1 3 320.481 2.227 20 0 DEADHO C[C@H](C(=O)N[C@H]1CC[N@H+](CCC2CC2)C1)N1CCCCCC1 ZINC001015795312 687425469 /nfs/dbraw/zinc/42/54/69/687425469.db2.gz OOHMDICGSHXNOD-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H](C(=O)N[C@H]1CC[N@@H+](CCC2CC2)C1)N1CCCCCC1 ZINC001015795312 687425472 /nfs/dbraw/zinc/42/54/72/687425472.db2.gz OOHMDICGSHXNOD-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO COC(=O)/C=C/c1ccc(OCCN[C@](C)(C[NH3+])C(C)C)cc1 ZINC000866662072 687644174 /nfs/dbraw/zinc/64/41/74/687644174.db2.gz WMSWNCPCEYQUBG-RUJXFNLJSA-N 1 3 320.433 2.215 20 0 DEADHO Fc1ccc(N2CCN(CCC3CC[NH2+]CC3)CC2)c(F)c1 ZINC000866704473 687660164 /nfs/dbraw/zinc/66/01/64/687660164.db2.gz VBPBKACJTZTKMS-UHFFFAOYSA-N 1 3 309.404 2.477 20 0 DEADHO CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001016611582 687664914 /nfs/dbraw/zinc/66/49/14/687664914.db2.gz DSRGOHZLHVQQAP-JKSUJKDBSA-N 1 3 307.482 2.240 20 0 DEADHO CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001017226488 687833469 /nfs/dbraw/zinc/83/34/69/687833469.db2.gz JZQIBMABNJQPEN-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001017226488 687833472 /nfs/dbraw/zinc/83/34/72/687833472.db2.gz JZQIBMABNJQPEN-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000867997755 687868344 /nfs/dbraw/zinc/86/83/44/687868344.db2.gz JCNOBANOLZKXQM-NXHRZFHOSA-N 1 3 315.461 2.155 20 0 DEADHO CC1CC(CN2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001017565913 687913814 /nfs/dbraw/zinc/91/38/14/687913814.db2.gz ZMIDJAVOEQUXTR-XIMZXTJQSA-N 1 3 319.493 2.048 20 0 DEADHO CC1CC(CN2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001017565913 687913819 /nfs/dbraw/zinc/91/38/19/687913819.db2.gz ZMIDJAVOEQUXTR-XIMZXTJQSA-N 1 3 319.493 2.048 20 0 DEADHO CC[C@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCC[C@@H]1C ZINC001017941953 688007400 /nfs/dbraw/zinc/00/74/00/688007400.db2.gz JSWWNKJXRNDYLQ-LUKYLMHMSA-N 1 3 307.482 2.192 20 0 DEADHO CC[C@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCC[C@@H]1C ZINC001017941953 688007403 /nfs/dbraw/zinc/00/74/03/688007403.db2.gz JSWWNKJXRNDYLQ-LUKYLMHMSA-N 1 3 307.482 2.192 20 0 DEADHO C[C@H](NC(=O)NC1CCC(C)([NH+](C)C)CC1)C1=CCN(C)CC1 ZINC000868488580 688032882 /nfs/dbraw/zinc/03/28/82/688032882.db2.gz FSDWNEWADTXUDP-NXVRBGIVSA-N 1 3 322.497 2.199 20 0 DEADHO CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001018176722 688071339 /nfs/dbraw/zinc/07/13/39/688071339.db2.gz OGLKNRSXZJAOSJ-XDNAFOTISA-N 1 3 321.509 2.438 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC001019382833 688342852 /nfs/dbraw/zinc/34/28/52/688342852.db2.gz MIDUVDKAVDIXKU-AEFFLSMTSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001019382592 688343077 /nfs/dbraw/zinc/34/30/77/688343077.db2.gz CTSXWTVFNOIZSO-YJBOKZPZSA-N 1 3 315.461 2.027 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2)C1)N(C)C ZINC001019395050 688345978 /nfs/dbraw/zinc/34/59/78/688345978.db2.gz YGYPCARPTDJUDW-PVAVHDDUSA-N 1 3 303.450 2.278 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CC3=CCCCC3)C2)CC1 ZINC001019560447 688375169 /nfs/dbraw/zinc/37/51/69/688375169.db2.gz GUUFGUPBDYKJKL-SFHVURJKSA-N 1 3 319.493 2.409 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccsc2)C1 ZINC001019822824 688413570 /nfs/dbraw/zinc/41/35/70/688413570.db2.gz GOVXTTRHLOZTNO-HOTGVXAUSA-N 1 3 321.490 2.313 20 0 DEADHO [NH3+][C@H]1CC[C@@H](C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000870853892 688667695 /nfs/dbraw/zinc/66/76/95/688667695.db2.gz HHTQSMZHPFBINN-KSZLIROESA-N 1 3 315.461 2.457 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870901696 688681305 /nfs/dbraw/zinc/68/13/05/688681305.db2.gz COVUUKNXRJKUQI-HDJSIYSDSA-N 1 3 309.479 2.156 20 0 DEADHO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000870988635 688704769 /nfs/dbraw/zinc/70/47/69/688704769.db2.gz VUQMGVJKFNLPMW-LPHOPBHVSA-N 1 3 315.461 2.445 20 0 DEADHO CC1CCC(CN2CC(NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001030532173 688707820 /nfs/dbraw/zinc/70/78/20/688707820.db2.gz HOTVTVZSYIAMIM-DQPZFDDXSA-N 1 3 307.482 2.097 20 0 DEADHO CC1CCC(CN2CC(NC(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001030532173 688707825 /nfs/dbraw/zinc/70/78/25/688707825.db2.gz HOTVTVZSYIAMIM-DQPZFDDXSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](C(=O)NC1CC1)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158149 688941527 /nfs/dbraw/zinc/94/15/27/688941527.db2.gz XRXQZAPVNRSNFF-CKEIUWERSA-N 1 3 307.482 2.273 20 0 DEADHO [NH3+][C@H](C[C@@H]1CCCN(CC(=O)N2CCCC2)C1)C1CCCC1 ZINC000872158013 688941577 /nfs/dbraw/zinc/94/15/77/688941577.db2.gz RNLTYAWCQDWZCF-DOTOQJQBSA-N 1 3 307.482 2.228 20 0 DEADHO CC(C)OC[C@@H](O)C[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000872218398 688956101 /nfs/dbraw/zinc/95/61/01/688956101.db2.gz NIFKNXAJBWHOMZ-QRQLOZEOSA-N 1 3 320.477 2.130 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCC1C[NH+](CCC(C)(C)C)C1 ZINC001031666237 688976739 /nfs/dbraw/zinc/97/67/39/688976739.db2.gz LPSVVHLBKKQUDI-INIZCTEOSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](F)CC[NH+]1CC(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001032207160 689083197 /nfs/dbraw/zinc/08/31/97/689083197.db2.gz FSRBPVZWBHEEEK-AWEZNQCLSA-N 1 3 321.440 2.158 20 0 DEADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001032440177 689151962 /nfs/dbraw/zinc/15/19/62/689151962.db2.gz COBNDPGFTHPBSI-BZSNNMDCSA-N 1 3 321.509 2.296 20 0 DEADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001032440177 689151963 /nfs/dbraw/zinc/15/19/63/689151963.db2.gz COBNDPGFTHPBSI-BZSNNMDCSA-N 1 3 321.509 2.296 20 0 DEADHO OC[C@]1(NCc2cc3c(s2)CC[NH2+]C3)CCc2ccccc21 ZINC000873206850 689183549 /nfs/dbraw/zinc/18/35/49/689183549.db2.gz MKDUMIXKAHAMDO-GOSISDBHSA-N 1 3 314.454 2.317 20 0 DEADHO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873243223 689192161 /nfs/dbraw/zinc/19/21/61/689192161.db2.gz JVJYTJPEVFRDHS-JLSDUUJJSA-N 1 3 311.433 2.394 20 0 DEADHO COC[C@@H](CCC[NH3+])NCc1ccc(OC(F)F)cc1F ZINC000873251103 689194467 /nfs/dbraw/zinc/19/44/67/689194467.db2.gz IZYMJAPYKLHZSG-LLVKDONJSA-N 1 3 306.328 2.271 20 0 DEADHO C[C@H]1CC[NH2+]CC[C@@H]1N[C@H]1C[C@H](C(=O)OCc2ccccc2)C1 ZINC000873274523 689200019 /nfs/dbraw/zinc/20/00/19/689200019.db2.gz VUYQGMQGYLAEPR-DKIMLUQUSA-N 1 3 316.445 2.486 20 0 DEADHO c1ccc(NC2CC(N[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000873295342 689204503 /nfs/dbraw/zinc/20/45/03/689204503.db2.gz GEVIYCPLDJRVAK-KFPRQRBHSA-N 1 3 315.461 2.376 20 0 DEADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001032711091 689232885 /nfs/dbraw/zinc/23/28/85/689232885.db2.gz HMJHSCNCOXJGJT-IRXDYDNUSA-N 1 3 307.482 2.048 20 0 DEADHO CN(C)[C@H](CNC(=O)N(C)CCCCCC[NH3+])c1ccccc1 ZINC000874429315 689411903 /nfs/dbraw/zinc/41/19/03/689411903.db2.gz GKWMDSQTHDJPJF-QGZVFWFLSA-N 1 3 320.481 2.450 20 0 DEADHO Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CCCN2C(C)C)o1 ZINC000930978320 694286304 /nfs/dbraw/zinc/28/63/04/694286304.db2.gz MKIXEWYDRIKZAL-KRWDZBQOSA-N 1 3 321.465 2.351 20 0 DEADHO C[C@H](F)CC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)N2CCCC2)C1 ZINC001033319380 689460383 /nfs/dbraw/zinc/46/03/83/689460383.db2.gz PSJGRFCYVXEUCL-LSDHHAIUSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@H](F)CC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)N2CCCC2)C1 ZINC001033319380 689460385 /nfs/dbraw/zinc/46/03/85/689460385.db2.gz PSJGRFCYVXEUCL-LSDHHAIUSA-N 1 3 313.461 2.142 20 0 DEADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000874836130 689510202 /nfs/dbraw/zinc/51/02/02/689510202.db2.gz BQZHTUFTAOPAKI-DLBZAZTESA-N 1 3 301.434 2.057 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001033472042 689513920 /nfs/dbraw/zinc/51/39/20/689513920.db2.gz QYZBGHDJOWWQAN-IRXDYDNUSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001033472042 689513922 /nfs/dbraw/zinc/51/39/22/689513922.db2.gz QYZBGHDJOWWQAN-IRXDYDNUSA-N 1 3 307.482 2.192 20 0 DEADHO CC1CCC(N2CCN(C(=O)[C@]34CCC[C@H]3[NH2+]CC4)CC2)CC1 ZINC000876764151 689930283 /nfs/dbraw/zinc/93/02/83/689930283.db2.gz LLCICLSISUMETJ-WXVPWVKJSA-N 1 3 319.493 2.242 20 0 DEADHO CC(C)(C)OC(=O)N1CCCC[C@H](CN2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000876817908 689946544 /nfs/dbraw/zinc/94/65/44/689946544.db2.gz OVFPTXPUTQXQNL-OAGGEKHMSA-N 1 3 323.481 2.175 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876883425 689963467 /nfs/dbraw/zinc/96/34/67/689963467.db2.gz BMZYIGAYUXGAQL-ZIAGYGMSSA-N 1 3 309.479 2.012 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001034884439 689977905 /nfs/dbraw/zinc/97/79/05/689977905.db2.gz GVSAQRFSWDACBG-CVEARBPZSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)C[C@H]1CCC[NH2+]1 ZINC000877033153 690002916 /nfs/dbraw/zinc/00/29/16/690002916.db2.gz RGDOPTJDSCFMLJ-QGPMSJSTSA-N 1 3 313.445 2.271 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)c1 ZINC000877154709 690032375 /nfs/dbraw/zinc/03/23/75/690032375.db2.gz XIPMJWKPPZJGRW-MRXNPFEDSA-N 1 3 303.450 2.256 20 0 DEADHO CC(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001035166596 690046292 /nfs/dbraw/zinc/04/62/92/690046292.db2.gz DTAKJKNSSOUUNG-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001035166596 690046295 /nfs/dbraw/zinc/04/62/95/690046295.db2.gz DTAKJKNSSOUUNG-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877361132 690089354 /nfs/dbraw/zinc/08/93/54/690089354.db2.gz QKCWCAWOCYFEIG-CHWSQXEVSA-N 1 3 323.403 2.094 20 0 DEADHO Cc1ccc([C@H](O)[C@H](C)NC2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000877516802 690137884 /nfs/dbraw/zinc/13/78/84/690137884.db2.gz IKZJSWOUVMERQX-MAUKXSAKSA-N 1 3 320.477 2.242 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC2(C[NH+](CC3CCC3)C2)CC1)N(C)C ZINC001035726534 690162484 /nfs/dbraw/zinc/16/24/84/690162484.db2.gz BVTYXIQHBMLMFT-KRWDZBQOSA-N 1 3 321.509 2.297 20 0 DEADHO COCCN(Cc1cnc2ccccn12)CC1CC[NH+](C)CC1 ZINC000877665304 690183561 /nfs/dbraw/zinc/18/35/61/690183561.db2.gz PZZKZWMGUFAMFH-UHFFFAOYSA-N 1 3 316.449 2.125 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CC1CCC1 ZINC001036069085 690251827 /nfs/dbraw/zinc/25/18/27/690251827.db2.gz YIZHLLVTAKTZPR-RHSMWYFYSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[NH+]1CCC(N(C)C[C@@H](O)CC2(CO)CCCC2)CC1 ZINC000878034083 690289081 /nfs/dbraw/zinc/28/90/81/690289081.db2.gz IRJPBBWEWYAHDO-KRWDZBQOSA-N 1 3 312.498 2.095 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CCC3CC3)[C@H](C)C2)CC1 ZINC001036224903 690295055 /nfs/dbraw/zinc/29/50/55/690295055.db2.gz MJAYKDBORUXGTA-AEFFLSMTSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1C[C@@H](c2ccccc2)CN1CC(=O)NC1CC[NH+](C)CC1 ZINC000878107864 690313046 /nfs/dbraw/zinc/31/30/46/690313046.db2.gz BHMKXGSHTKIJFI-NVXWUHKLSA-N 1 3 315.461 2.075 20 0 DEADHO CC(C)[NH2+][C@H](C)[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001036464021 690355852 /nfs/dbraw/zinc/35/58/52/690355852.db2.gz IYYQCJBIDXFEAJ-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001036464020 690356046 /nfs/dbraw/zinc/35/60/46/690356046.db2.gz IYYQCJBIDXFEAJ-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1CN(C[C@H]2CCC3(CCC3)O2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000878325057 690379068 /nfs/dbraw/zinc/37/90/68/690379068.db2.gz QUBBSBVNJUEAEL-KZNAEPCWSA-N 1 3 321.509 2.046 20 0 DEADHO C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)[C@@H]1C[NH2+]CC1CCC1 ZINC001036557159 690385379 /nfs/dbraw/zinc/38/53/79/690385379.db2.gz YEUGQCZHMOXAMC-CRAIPNDOSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1C[C@H](C(C)(C)C)CCN1CC(=O)NC1CC[NH+](C)CC1 ZINC000878620848 690457605 /nfs/dbraw/zinc/45/76/05/690457605.db2.gz XTHDNKQLSAHUGB-LSDHHAIUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820701 690485489 /nfs/dbraw/zinc/48/54/89/690485489.db2.gz NDJJHHAXQHLNLJ-IRXDYDNUSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820701 690485492 /nfs/dbraw/zinc/48/54/92/690485492.db2.gz NDJJHHAXQHLNLJ-IRXDYDNUSA-N 1 3 321.509 2.297 20 0 DEADHO O[C@H]1CCN(C2CC[NH+](CC[C@H]3CCCC3(F)F)CC2)C1 ZINC000878992796 690543972 /nfs/dbraw/zinc/54/39/72/690543972.db2.gz DGHRJNMTSYHRGG-HIFRSBDPSA-N 1 3 302.409 2.343 20 0 DEADHO CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CCC1CC1 ZINC001037856128 690624715 /nfs/dbraw/zinc/62/47/15/690624715.db2.gz YAMRQSVACFVUFT-IAGOWNOFSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@@H]1[NH2+]C(C)C ZINC001037951635 690647658 /nfs/dbraw/zinc/64/76/58/690647658.db2.gz TXVZBRZQAOCXFG-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H]1CN(CC[C@H]2COC(C)(C)O2)CCN1c1cc[nH+]cc1 ZINC000880258108 690853649 /nfs/dbraw/zinc/85/36/49/690853649.db2.gz CHHMNISWMQBLKM-HOCLYGCPSA-N 1 3 305.422 2.134 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](c3nccs3)C2)CC1 ZINC000880319101 690869662 /nfs/dbraw/zinc/86/96/62/690869662.db2.gz AWPRVVMYQBDFJG-INIZCTEOSA-N 1 3 322.522 2.349 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](c3nccs3)C2)CC1 ZINC000880319101 690869664 /nfs/dbraw/zinc/86/96/64/690869664.db2.gz AWPRVVMYQBDFJG-INIZCTEOSA-N 1 3 322.522 2.349 20 0 DEADHO CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001039112993 691022165 /nfs/dbraw/zinc/02/21/65/691022165.db2.gz KBIIJLZSNBSGGG-IRXDYDNUSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001039112993 691022166 /nfs/dbraw/zinc/02/21/66/691022166.db2.gz KBIIJLZSNBSGGG-IRXDYDNUSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001039165325 691037712 /nfs/dbraw/zinc/03/77/12/691037712.db2.gz OPHYUPMNNPZMJL-WMZOPIPTSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001039165325 691037715 /nfs/dbraw/zinc/03/77/15/691037715.db2.gz OPHYUPMNNPZMJL-WMZOPIPTSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039173506 691039390 /nfs/dbraw/zinc/03/93/90/691039390.db2.gz YBSHGQNHVQVOOT-GOSISDBHSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039173506 691039393 /nfs/dbraw/zinc/03/93/93/691039393.db2.gz YBSHGQNHVQVOOT-GOSISDBHSA-N 1 3 321.509 2.299 20 0 DEADHO CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001039180382 691041623 /nfs/dbraw/zinc/04/16/23/691041623.db2.gz PXXJVFAJSFHLEO-SJORKVTESA-N 1 3 309.498 2.153 20 0 DEADHO CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001039180382 691041624 /nfs/dbraw/zinc/04/16/24/691041624.db2.gz PXXJVFAJSFHLEO-SJORKVTESA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039236565 691063703 /nfs/dbraw/zinc/06/37/03/691063703.db2.gz DOYZYRWUFWGTAF-DOTOQJQBSA-N 1 3 318.465 2.311 20 0 DEADHO CC(C)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039236565 691063704 /nfs/dbraw/zinc/06/37/04/691063704.db2.gz DOYZYRWUFWGTAF-DOTOQJQBSA-N 1 3 318.465 2.311 20 0 DEADHO CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001040249836 691220051 /nfs/dbraw/zinc/22/00/51/691220051.db2.gz CCYANOAZWIIBKV-FUHWJXTLSA-N 1 3 309.498 2.297 20 0 DEADHO CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001040249836 691220055 /nfs/dbraw/zinc/22/00/55/691220055.db2.gz CCYANOAZWIIBKV-FUHWJXTLSA-N 1 3 309.498 2.297 20 0 DEADHO CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001040393692 691241144 /nfs/dbraw/zinc/24/11/44/691241144.db2.gz CRCULMQXZJZCIC-AEFFLSMTSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001040393692 691241146 /nfs/dbraw/zinc/24/11/46/691241146.db2.gz CRCULMQXZJZCIC-AEFFLSMTSA-N 1 3 307.482 2.195 20 0 DEADHO CC[C@@H](C(=O)N1CCC2(C1)CC[NH+](CCC1CC1)CC2)N(C)C ZINC001040852819 691292612 /nfs/dbraw/zinc/29/26/12/691292612.db2.gz DZIUYPYOJNYLEV-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CCC3CC3)C2)C1)N(C)C ZINC001041404298 691371507 /nfs/dbraw/zinc/37/15/07/691371507.db2.gz RZBYJIOLRAIOSP-SJLPKXTDSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1)N(C)C ZINC001041404298 691371510 /nfs/dbraw/zinc/37/15/10/691371510.db2.gz RZBYJIOLRAIOSP-SJLPKXTDSA-N 1 3 307.482 2.051 20 0 DEADHO CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001041679825 691409410 /nfs/dbraw/zinc/40/94/10/691409410.db2.gz OKRYEBXIOZPYDC-SJLPKXTDSA-N 1 3 307.482 2.053 20 0 DEADHO CCCC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001041679825 691409412 /nfs/dbraw/zinc/40/94/12/691409412.db2.gz OKRYEBXIOZPYDC-SJLPKXTDSA-N 1 3 307.482 2.053 20 0 DEADHO FC(F)(F)OCCCN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000883438506 691510433 /nfs/dbraw/zinc/51/04/33/691510433.db2.gz UTSRNASNQROKHB-ZDUSSCGKSA-N 1 3 310.360 2.003 20 0 DEADHO CCC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@H]21 ZINC001042312978 691566561 /nfs/dbraw/zinc/56/65/61/691566561.db2.gz GWPPOTAHQVGEKW-KBPBESRZSA-N 1 3 304.438 2.020 20 0 DEADHO CCC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@H]21 ZINC001042312978 691566563 /nfs/dbraw/zinc/56/65/63/691566563.db2.gz GWPPOTAHQVGEKW-KBPBESRZSA-N 1 3 304.438 2.020 20 0 DEADHO C[NH2+][C@@H](CC(C)C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000884189886 691678209 /nfs/dbraw/zinc/67/82/09/691678209.db2.gz OYBCMHULXZLJAO-SFHVURJKSA-N 1 3 317.477 2.185 20 0 DEADHO [NH3+][C@@H](CC1CC1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000884189497 691678219 /nfs/dbraw/zinc/67/82/19/691678219.db2.gz HDQCAUFXZJDEDK-IRXDYDNUSA-N 1 3 301.434 2.067 20 0 DEADHO N[C@@H](CC1CC1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000884189497 691678220 /nfs/dbraw/zinc/67/82/20/691678220.db2.gz HDQCAUFXZJDEDK-IRXDYDNUSA-N 1 3 301.434 2.067 20 0 DEADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H](N)CC3CC3)C2)CC1 ZINC000884204990 691682498 /nfs/dbraw/zinc/68/24/98/691682498.db2.gz JODJAVMTSJNSPZ-SJORKVTESA-N 1 3 307.482 2.084 20 0 DEADHO C[NH2+][C@@H](CC(C)C)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000884308607 691706235 /nfs/dbraw/zinc/70/62/35/691706235.db2.gz XQDPQRRFGFUJAO-KRWDZBQOSA-N 1 3 323.456 2.350 20 0 DEADHO CN(C)C[C@H](NC(=O)[C@@H]1C[NH2+]CC1(C)C)c1ccc(Cl)cc1 ZINC000884312270 691706941 /nfs/dbraw/zinc/70/69/41/691706941.db2.gz ABUGIBWVJXDFRL-GJZGRUSLSA-N 1 3 323.868 2.305 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884358365 691718370 /nfs/dbraw/zinc/71/83/70/691718370.db2.gz PQRKASRPEGXAJA-LSDHHAIUSA-N 1 3 315.417 2.350 20 0 DEADHO CN(C(=O)C1CC[NH+](C)CC1)C1CN(CC2CCCCCC2)C1 ZINC001043740959 691734173 /nfs/dbraw/zinc/73/41/73/691734173.db2.gz NGOFVILBZDUDCV-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)[C@@H](N)CC1CC1 ZINC000884435999 691737927 /nfs/dbraw/zinc/73/79/27/691737927.db2.gz QJAVZQKMEBTMNG-SOLBZPMBSA-N 1 3 313.445 2.257 20 0 DEADHO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)[C@@H](N)CC1CC1 ZINC000884435999 691737931 /nfs/dbraw/zinc/73/79/31/691737931.db2.gz QJAVZQKMEBTMNG-SOLBZPMBSA-N 1 3 313.445 2.257 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884435999 691737934 /nfs/dbraw/zinc/73/79/34/691737934.db2.gz QJAVZQKMEBTMNG-SOLBZPMBSA-N 1 3 313.445 2.257 20 0 DEADHO O=C(CN1CCCC1)N1CCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001045310346 691961881 /nfs/dbraw/zinc/96/18/81/691961881.db2.gz KSXAAXDJAFZIHJ-KRWDZBQOSA-N 1 3 305.466 2.163 20 0 DEADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCOC3(CCOCC3)C2)C1 ZINC000885968949 691973986 /nfs/dbraw/zinc/97/39/86/691973986.db2.gz FVDYMNCXZCQMCW-IAGOWNOFSA-N 1 3 310.482 2.425 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC1(C)CC[NH+](CC2CC2)CC1 ZINC001045437827 691980906 /nfs/dbraw/zinc/98/09/06/691980906.db2.gz FQEUKJKOEOUDMR-INIZCTEOSA-N 1 3 307.482 2.240 20 0 DEADHO CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045968596 692065347 /nfs/dbraw/zinc/06/53/47/692065347.db2.gz DEWQBSXRWCPEEA-KRWDZBQOSA-N 1 3 304.438 2.067 20 0 DEADHO CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045968596 692065349 /nfs/dbraw/zinc/06/53/49/692065349.db2.gz DEWQBSXRWCPEEA-KRWDZBQOSA-N 1 3 304.438 2.067 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCC[C@]2(CC[N@@H+](CCCF)C2)C1 ZINC001045969655 692065747 /nfs/dbraw/zinc/06/57/47/692065747.db2.gz WFVHTNODOLZXSQ-QGZVFWFLSA-N 1 3 322.428 2.016 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCC[C@]2(CC[N@H+](CCCF)C2)C1 ZINC001045969655 692065749 /nfs/dbraw/zinc/06/57/49/692065749.db2.gz WFVHTNODOLZXSQ-QGZVFWFLSA-N 1 3 322.428 2.016 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@H+](CCC2CC2)C1 ZINC001046317559 692150129 /nfs/dbraw/zinc/15/01/29/692150129.db2.gz UNNVGLTTYPQGFE-SJLPKXTDSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@@H+](CCC2CC2)C1 ZINC001046317559 692150131 /nfs/dbraw/zinc/15/01/31/692150131.db2.gz UNNVGLTTYPQGFE-SJLPKXTDSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[NH2+]C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001048256809 692584411 /nfs/dbraw/zinc/58/44/11/692584411.db2.gz QKHZPIHSSKCWCK-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C[NH2+]CC1CCC1 ZINC001048415147 692614176 /nfs/dbraw/zinc/61/41/76/692614176.db2.gz AGHOQAXIHIZXCQ-AEFFLSMTSA-N 1 3 321.509 2.203 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@@H]2C1 ZINC001049058482 692754350 /nfs/dbraw/zinc/75/43/50/692754350.db2.gz ZXEZJVOLZBMSGQ-ZACQAIPSSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CCC(C)(C)C)C[C@@H]2C1 ZINC001049058482 692754351 /nfs/dbraw/zinc/75/43/51/692754351.db2.gz ZXEZJVOLZBMSGQ-ZACQAIPSSA-N 1 3 321.509 2.297 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC([NH2+]C3CCC3)CC2)c1 ZINC000889832036 692792237 /nfs/dbraw/zinc/79/22/37/692792237.db2.gz CUKIITPXGFOMJV-UHFFFAOYSA-N 1 3 315.461 2.495 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2C1 ZINC001049232061 692795048 /nfs/dbraw/zinc/79/50/48/692795048.db2.gz QQNDQGCKEWZCFA-LVYXFOGZSA-N 1 3 319.493 2.050 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2C[N@H+](CCC3CC3)C[C@@H]2C1 ZINC001049232061 692795049 /nfs/dbraw/zinc/79/50/49/692795049.db2.gz QQNDQGCKEWZCFA-LVYXFOGZSA-N 1 3 319.493 2.050 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC ZINC001049505007 692904530 /nfs/dbraw/zinc/90/45/30/692904530.db2.gz LBUJKKMJYLVBAW-GVDBMIGSSA-N 1 3 307.482 2.336 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC ZINC001049505007 692904531 /nfs/dbraw/zinc/90/45/31/692904531.db2.gz LBUJKKMJYLVBAW-GVDBMIGSSA-N 1 3 307.482 2.336 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC1CC1)N(C)C ZINC001049531423 692913350 /nfs/dbraw/zinc/91/33/50/692913350.db2.gz BISMPXCSRDLFMY-BZSNNMDCSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC1CC1)N(C)C ZINC001049531423 692913353 /nfs/dbraw/zinc/91/33/53/692913353.db2.gz BISMPXCSRDLFMY-BZSNNMDCSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCC1)N(C)C ZINC001049534603 692915128 /nfs/dbraw/zinc/91/51/28/692915128.db2.gz WNXADYCKCLLYQB-KSZLIROESA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CCC1)N(C)C ZINC001049534603 692915131 /nfs/dbraw/zinc/91/51/31/692915131.db2.gz WNXADYCKCLLYQB-KSZLIROESA-N 1 3 321.509 2.438 20 0 DEADHO CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(CN(C)C)c1 ZINC001049913056 693046252 /nfs/dbraw/zinc/04/62/52/693046252.db2.gz SWYJZHBNAVCHTB-ZWKOTPCHSA-N 1 3 315.461 2.447 20 0 DEADHO CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(CN(C)C)c1 ZINC001049913056 693046257 /nfs/dbraw/zinc/04/62/57/693046257.db2.gz SWYJZHBNAVCHTB-ZWKOTPCHSA-N 1 3 315.461 2.447 20 0 DEADHO COCCCN1CCC([NH2+][C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000924913048 693201210 /nfs/dbraw/zinc/20/12/10/693201210.db2.gz UDWSQRYTBNDWRH-MSOLQXFVSA-N 1 3 309.498 2.094 20 0 DEADHO CCCC[NH+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001050546693 693205338 /nfs/dbraw/zinc/20/53/38/693205338.db2.gz RLXPQAYXEBOWBW-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CC(=O)N1CCC(C[NH2+]C2CCN(CCC(C)C)CC2)CC1 ZINC000924972589 693209404 /nfs/dbraw/zinc/20/94/04/693209404.db2.gz HWOQRBGRRFQQOD-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H]1[C@@H](NC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)CCN1C ZINC000925060677 693220794 /nfs/dbraw/zinc/22/07/94/693220794.db2.gz OCPJJEKZXNLPHA-VUGNNNGISA-N 1 3 322.497 2.175 20 0 DEADHO CC(C)CC[NH+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001050663030 693226533 /nfs/dbraw/zinc/22/65/33/693226533.db2.gz QBDNSWMHSYMDEN-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)=CC[NH+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001050661723 693226700 /nfs/dbraw/zinc/22/67/00/693226700.db2.gz BETQSZCYRQXHOX-KRWDZBQOSA-N 1 3 319.493 2.361 20 0 DEADHO FC(F)(F)CN1CC[C@H](N[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925533610 693290766 /nfs/dbraw/zinc/29/07/66/693290766.db2.gz CNVMRWDWPDBKDG-SOUVJXGZSA-N 1 3 319.415 2.381 20 0 DEADHO CC1(C)C[C@@H](NCc2ccccc2CS(C)(=O)=O)C[C@@H]([NH3+])C1 ZINC000925535023 693290957 /nfs/dbraw/zinc/29/09/57/693290957.db2.gz SQAOIUJCXNQMCH-CVEARBPZSA-N 1 3 324.490 2.227 20 0 DEADHO COc1ccccc1N1CC[C@H](N[C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925554227 693296269 /nfs/dbraw/zinc/29/62/69/693296269.db2.gz ZWXYERNWJZKLJB-IAOVAPTHSA-N 1 3 301.434 2.133 20 0 DEADHO NC(=O)c1cccc(CC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)c1 ZINC000925592830 693304723 /nfs/dbraw/zinc/30/47/23/693304723.db2.gz JDMNPHYDOUJFQN-QZTJIDSGSA-N 1 3 315.461 2.086 20 0 DEADHO OC[C@H](Cc1ccc(F)cc1)N[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925651096 693317844 /nfs/dbraw/zinc/31/78/44/693317844.db2.gz WHDNDTIYBLNJRH-IPMKNSEASA-N 1 3 320.452 2.487 20 0 DEADHO Cn1c2cc(CN[C@@H]3C[C@@H]([NH3+])CC(C)(C)C3)ccc2oc1=O ZINC000925719648 693329213 /nfs/dbraw/zinc/32/92/13/693329213.db2.gz UKVQELVBULLOTA-CHWSQXEVSA-N 1 3 303.406 2.127 20 0 DEADHO CSCc1n[nH]c(CN[C@H](CCC[NH3+])c2ccccc2)n1 ZINC000925777396 693339594 /nfs/dbraw/zinc/33/95/94/693339594.db2.gz NWLIYNVORMQMQE-CYBMUJFWSA-N 1 3 305.451 2.238 20 0 DEADHO CCS(=O)(=O)c1ccccc1CCN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000925833856 693349581 /nfs/dbraw/zinc/34/95/81/693349581.db2.gz KWOAOVFCOODHDZ-HOCLYGCPSA-N 1 3 324.490 2.000 20 0 DEADHO C[C@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)nc1 ZINC000925852590 693353774 /nfs/dbraw/zinc/35/37/74/693353774.db2.gz OYPXNSAHHRLOMH-WCQYABFASA-N 1 3 323.824 2.071 20 0 DEADHO c1cnc2c(c1)CCC[C@H]2N[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000925871887 693357863 /nfs/dbraw/zinc/35/78/63/693357863.db2.gz LDDWNQOWYFFSKQ-QBPKDAKJSA-N 1 3 301.434 2.206 20 0 DEADHO COC1(OC)CC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000926692729 693493623 /nfs/dbraw/zinc/49/36/23/693493623.db2.gz JKBFCHAUACZSNS-QGZVFWFLSA-N 1 3 319.449 2.035 20 0 DEADHO CC[N@@H+]1CCC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052701352 693598996 /nfs/dbraw/zinc/59/89/96/693598996.db2.gz DNDGULBPPGWQDA-PBHICJAKSA-N 1 3 313.461 2.190 20 0 DEADHO CC[N@H+]1CCC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052701352 693598999 /nfs/dbraw/zinc/59/89/99/693598999.db2.gz DNDGULBPPGWQDA-PBHICJAKSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)=CC[N@H+]1CCC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001052703123 693599532 /nfs/dbraw/zinc/59/95/32/693599532.db2.gz QKBPKCAAKCZXOI-IRXDYDNUSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001052703123 693599534 /nfs/dbraw/zinc/59/95/34/693599534.db2.gz QKBPKCAAKCZXOI-IRXDYDNUSA-N 1 3 307.482 2.265 20 0 DEADHO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(CC2CCCC2)CC1 ZINC001052985550 693661762 /nfs/dbraw/zinc/66/17/62/693661762.db2.gz RJCNWARWEVIADB-KDURUIRLSA-N 1 3 319.493 2.336 20 0 DEADHO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC2CCCC2)CC1 ZINC001052985550 693661763 /nfs/dbraw/zinc/66/17/63/693661763.db2.gz RJCNWARWEVIADB-KDURUIRLSA-N 1 3 319.493 2.336 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H](C[N@H+](C)CC2CCC2)C1 ZINC001402387917 1162340509 /nfs/dbraw/zinc/34/05/09/1162340509.db2.gz BXPLGAYLHPZDGT-KRWDZBQOSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCC2)C1 ZINC001402387917 1162340512 /nfs/dbraw/zinc/34/05/12/1162340512.db2.gz BXPLGAYLHPZDGT-KRWDZBQOSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001402412784 1162348266 /nfs/dbraw/zinc/34/82/66/1162348266.db2.gz CGQVBEOYIXHWRG-BJWYYQGGSA-N 1 3 307.482 2.096 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001402412784 1162348272 /nfs/dbraw/zinc/34/82/72/1162348272.db2.gz CGQVBEOYIXHWRG-BJWYYQGGSA-N 1 3 307.482 2.096 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC2CCCC2)C1 ZINC001402422616 1162351483 /nfs/dbraw/zinc/35/14/83/1162351483.db2.gz ZJVHLIYPYMLZAJ-DOTOQJQBSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CC[C@@H](O)C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001335352430 1150399229 /nfs/dbraw/zinc/39/92/29/1150399229.db2.gz WEVICRKYJOGZBS-IXDOHACOSA-N 1 3 300.487 2.263 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[N@H+](CC2CCC2)CC1)N(C)C ZINC001402636032 1162421062 /nfs/dbraw/zinc/42/10/62/1162421062.db2.gz YYFYTCJTERLEDN-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)CC1)N(C)C ZINC001402636032 1162421065 /nfs/dbraw/zinc/42/10/65/1162421065.db2.gz YYFYTCJTERLEDN-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO C[NH2+]CCCCC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC001357350785 1152291830 /nfs/dbraw/zinc/29/18/30/1152291830.db2.gz JXJSLHSBSIRPSC-UHFFFAOYSA-N 1 3 317.477 2.419 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC2CCC([NH2+]C/C=C/Cl)CC2)C1 ZINC001402831132 1162488079 /nfs/dbraw/zinc/48/80/79/1162488079.db2.gz UOBGETDKJNZJNG-RVPCBTCCSA-N 1 3 313.873 2.098 20 0 DEADHO Cc1ccccc1C[NH2+][C@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001379148547 1152581881 /nfs/dbraw/zinc/58/18/81/1152581881.db2.gz PIEXATPISDBRNR-MRXNPFEDSA-N 1 3 317.477 2.416 20 0 DEADHO CCCCN1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001379981877 1152723868 /nfs/dbraw/zinc/72/38/68/1152723868.db2.gz HHSYIRZKUPDLJM-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001380177261 1152762776 /nfs/dbraw/zinc/76/27/76/1152762776.db2.gz AZGLTPWFQIPFRH-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001380177261 1152762778 /nfs/dbraw/zinc/76/27/78/1152762778.db2.gz AZGLTPWFQIPFRH-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NC1(C)CC[NH+](CC2CC2)CC1 ZINC001380324049 1152788797 /nfs/dbraw/zinc/78/87/97/1152788797.db2.gz YHKVHHGYICBCPA-GJZGRUSLSA-N 1 3 307.482 2.240 20 0 DEADHO CC[C@H](C(=O)N[C@@]1(C)CC[N@H+](CC2CCC2)C1)N(CC)CC ZINC001380363958 1152798698 /nfs/dbraw/zinc/79/86/98/1152798698.db2.gz XUPJZAGIIDWMOG-AEFFLSMTSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)N[C@@]1(C)CC[N@@H+](CC2CCC2)C1)N(CC)CC ZINC001380363958 1152798700 /nfs/dbraw/zinc/79/87/00/1152798700.db2.gz XUPJZAGIIDWMOG-AEFFLSMTSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@]1(C)CCN(C(=O)CN(C)C2CCC2)C1 ZINC001380397157 1152806073 /nfs/dbraw/zinc/80/60/73/1152806073.db2.gz IWDZKWORVSWGLW-YOEHRIQHSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H](CC[NH+](C)C)C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC001362072901 1152816472 /nfs/dbraw/zinc/81/64/72/1152816472.db2.gz PFQJETGNXOAYSP-HNNXBMFYSA-N 1 3 321.465 2.290 20 0 DEADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cccc(CC[NH+](C)C)c1 ZINC001362124157 1152828952 /nfs/dbraw/zinc/82/89/52/1152828952.db2.gz GMSIQPNVEAMVGF-KSSFIOAISA-N 1 3 315.461 2.003 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[N@H+](C)CC1CC2(CCC2)C1)N(C)C ZINC001381531185 1153111358 /nfs/dbraw/zinc/11/13/58/1153111358.db2.gz DYQOSWKJUJUGKU-GOEBONIOSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)CC1CC2(CCC2)C1)N(C)C ZINC001381531185 1153111359 /nfs/dbraw/zinc/11/13/59/1153111359.db2.gz DYQOSWKJUJUGKU-GOEBONIOSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H](C)N(C)Cc1cccc(F)c1)[NH+](C)C ZINC001381535666 1153113865 /nfs/dbraw/zinc/11/38/65/1153113865.db2.gz VWNDGOHBLHHCCZ-PBHICJAKSA-N 1 3 323.456 2.348 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H](C)CC[NH+](C)C ZINC001363144760 1153241416 /nfs/dbraw/zinc/24/14/16/1153241416.db2.gz WEVMWIJXDWOBGJ-JKSUJKDBSA-N 1 3 305.466 2.211 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CCCCC3)C[C@H]21 ZINC001381918627 1153273628 /nfs/dbraw/zinc/27/36/28/1153273628.db2.gz DAXMHZJDBJVHKR-NNZMDNLPSA-N 1 3 321.509 2.203 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CCCCC3)C[C@H]21 ZINC001381918627 1153273632 /nfs/dbraw/zinc/27/36/32/1153273632.db2.gz DAXMHZJDBJVHKR-NNZMDNLPSA-N 1 3 321.509 2.203 20 0 DEADHO CC[C@H](F)C[N@H+](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001381990770 1153307591 /nfs/dbraw/zinc/30/75/91/1153307591.db2.gz YKCTZQJXGQMNOJ-GOEBONIOSA-N 1 3 315.477 2.244 20 0 DEADHO CC[C@H](F)C[N@@H+](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001381990770 1153307597 /nfs/dbraw/zinc/30/75/97/1153307597.db2.gz YKCTZQJXGQMNOJ-GOEBONIOSA-N 1 3 315.477 2.244 20 0 DEADHO CC(C)C[NH+]1CCC(C(=O)NC[C@@H]2CCN2C(C)(C)C)CC1 ZINC001363943064 1153733898 /nfs/dbraw/zinc/73/38/98/1153733898.db2.gz ZIWCKUAQVMETOR-INIZCTEOSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)NCc1ccccc1F ZINC001403041694 1162650618 /nfs/dbraw/zinc/65/06/18/1162650618.db2.gz CIYCMOAXWNNLSP-AWEZNQCLSA-N 1 3 321.440 2.152 20 0 DEADHO C[NH+](C)CCC(=O)N[C@H]1CCCN(CCCc2ccsc2)C1 ZINC001389394645 1155328723 /nfs/dbraw/zinc/32/87/23/1155328723.db2.gz VESMGZVQHLPGQV-INIZCTEOSA-N 1 3 323.506 2.213 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]([NH2+]Cc1ccccc1)C1CC1)N(C)C ZINC001389684403 1155395518 /nfs/dbraw/zinc/39/55/18/1155395518.db2.gz FKJNPRRNNABAGY-ZWKOTPCHSA-N 1 3 317.477 2.257 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[N@@H+](C)CC[C@@H](C)F)C1 ZINC001389749914 1155415274 /nfs/dbraw/zinc/41/52/74/1155415274.db2.gz XBGLYIZYFUSTIU-CVEARBPZSA-N 1 3 315.477 2.245 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[N@H+](C)CC[C@@H](C)F)C1 ZINC001389749914 1155415275 /nfs/dbraw/zinc/41/52/75/1155415275.db2.gz XBGLYIZYFUSTIU-CVEARBPZSA-N 1 3 315.477 2.245 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC1CCC2(CC2)CC1)N(C)C ZINC001403092344 1162703647 /nfs/dbraw/zinc/70/36/47/1162703647.db2.gz XJSPMYPZDFFUTE-ZBFHGGJFSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1ccc(CC[NH2+][C@@H](C)CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001390399841 1155700796 /nfs/dbraw/zinc/70/07/96/1155700796.db2.gz LAOMBXLASYFGQC-INIZCTEOSA-N 1 3 317.477 2.116 20 0 DEADHO CC1CC(C[NH2+]C[C@@H]2CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001390592648 1155809789 /nfs/dbraw/zinc/80/97/89/1155809789.db2.gz NBIDGPLDHBGBBS-CGZBRXJRSA-N 1 3 323.525 2.449 20 0 DEADHO Cc1cccc([C@H](C)[N@H+](C)CCNC(=O)CN2CC[C@H](C)C2)c1 ZINC001390813767 1155880230 /nfs/dbraw/zinc/88/02/30/1155880230.db2.gz BVRRKRUDFAFMGP-IRXDYDNUSA-N 1 3 317.477 2.446 20 0 DEADHO Cc1cccc([C@H](C)[N@@H+](C)CCNC(=O)CN2CC[C@H](C)C2)c1 ZINC001390813767 1155880232 /nfs/dbraw/zinc/88/02/32/1155880232.db2.gz BVRRKRUDFAFMGP-IRXDYDNUSA-N 1 3 317.477 2.446 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@H]([NH2+]CCC(C)C)C1 ZINC001371657273 1155896509 /nfs/dbraw/zinc/89/65/09/1155896509.db2.gz GLYJJJDXQVPGNC-GJZGRUSLSA-N 1 3 306.454 2.324 20 0 DEADHO CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1ccc(C)cc1 ZINC001390955738 1156007618 /nfs/dbraw/zinc/00/76/18/1156007618.db2.gz KLMSIVLNQVFOEJ-KRWDZBQOSA-N 1 3 317.477 2.275 20 0 DEADHO CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1ccc(C)cc1 ZINC001390955738 1156007624 /nfs/dbraw/zinc/00/76/24/1156007624.db2.gz KLMSIVLNQVFOEJ-KRWDZBQOSA-N 1 3 317.477 2.275 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](C)[C@@H](C)c1cccc(C)c1)N(C)C ZINC001372193690 1156305289 /nfs/dbraw/zinc/30/52/89/1156305289.db2.gz YRTGZKNEMFKRQH-DOTOQJQBSA-N 1 3 305.466 2.444 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](C)[C@@H](C)c1cccc(C)c1)N(C)C ZINC001372193690 1156305295 /nfs/dbraw/zinc/30/52/95/1156305295.db2.gz YRTGZKNEMFKRQH-DOTOQJQBSA-N 1 3 305.466 2.444 20 0 DEADHO CC(C)(C(=O)NCC1C[NH+](CC2CCCCC2)C1)N1CCCC1 ZINC001391495738 1156465467 /nfs/dbraw/zinc/46/54/67/1156465467.db2.gz WJOHQJRQAKYCCR-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO Cc1cccc([C@H](C)N2CC(CNC(=O)CC[NH+](C)C)C2)c1 ZINC001391497330 1156467201 /nfs/dbraw/zinc/46/72/01/1156467201.db2.gz QYWJCKCQBFTSQG-HNNXBMFYSA-N 1 3 303.450 2.056 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001403153964 1162793077 /nfs/dbraw/zinc/79/30/77/1162793077.db2.gz ASTNDGRSZMSOQA-HNNXBMFYSA-N 1 3 317.477 2.499 20 0 DEADHO CC[C@H](F)C[NH2+][C@@H](CC)CNC(=O)C(C)(C)N1CCCCC1 ZINC001391689525 1156697052 /nfs/dbraw/zinc/69/70/52/1156697052.db2.gz FLBBOUPDRJMNRE-GJZGRUSLSA-N 1 3 315.477 2.483 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccsc1)N(C)C ZINC001392133066 1156873643 /nfs/dbraw/zinc/87/36/43/1156873643.db2.gz NPMBIFSWHDHJPU-HIFRSBDPSA-N 1 3 311.495 2.271 20 0 DEADHO CC[C@H](C(=O)NCC[C@H]1CC[N@H+](CC2CCCC2)C1)N(C)C ZINC001373188166 1156881423 /nfs/dbraw/zinc/88/14/23/1156881423.db2.gz CJSFLMLMBVDXMY-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)NCC[C@H]1CC[N@@H+](CC2CCCC2)C1)N(C)C ZINC001373188166 1156881424 /nfs/dbraw/zinc/88/14/24/1156881424.db2.gz CJSFLMLMBVDXMY-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001392193527 1156886950 /nfs/dbraw/zinc/88/69/50/1156886950.db2.gz QSAVDCIDDXHFJC-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]CC1CC(C)(C)C1 ZINC001392247624 1156913579 /nfs/dbraw/zinc/91/35/79/1156913579.db2.gz DPJVLCPVFUDKHR-MRXNPFEDSA-N 1 3 311.514 2.493 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccccc1C ZINC001392535950 1157096561 /nfs/dbraw/zinc/09/65/61/1157096561.db2.gz FXDGXQHWDIVJPF-SJLPKXTDSA-N 1 3 317.477 2.464 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccccc1C1CC1 ZINC001392618111 1157216806 /nfs/dbraw/zinc/21/68/06/1157216806.db2.gz LNEBRIUSBSQTQH-HNNXBMFYSA-N 1 3 317.477 2.499 20 0 DEADHO CC[C@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1ccc(C)c(F)c1 ZINC001373797485 1157370743 /nfs/dbraw/zinc/37/07/43/1157370743.db2.gz MPRCAWDGSVPTDF-WBVHZDCISA-N 1 3 323.456 2.459 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001373915006 1157458084 /nfs/dbraw/zinc/45/80/84/1157458084.db2.gz MBPZFBHUPUNWBK-RBSFLKMASA-N 1 3 313.461 2.236 20 0 DEADHO CC[C@H](C(=O)N[C@]1(C)CC[N@H+](CCC2CC2)C1)N(CC)CC ZINC001393110287 1157692236 /nfs/dbraw/zinc/69/22/36/1157692236.db2.gz GJUUCBVQPPUQHD-SJLPKXTDSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)N[C@]1(C)CC[N@@H+](CCC2CC2)C1)N(CC)CC ZINC001393110287 1157692239 /nfs/dbraw/zinc/69/22/39/1157692239.db2.gz GJUUCBVQPPUQHD-SJLPKXTDSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2)[C@H](C)C1 ZINC001374386745 1157835044 /nfs/dbraw/zinc/83/50/44/1157835044.db2.gz SNKWIFHILBCILH-SJLPKXTDSA-N 1 3 317.477 2.355 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CNCc1cncs1 ZINC001374821612 1158043470 /nfs/dbraw/zinc/04/34/70/1158043470.db2.gz MWPVOCKUODMRLP-UKRRQHHQSA-N 1 3 324.494 2.000 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CNCc1cncs1 ZINC001374821612 1158043475 /nfs/dbraw/zinc/04/34/75/1158043475.db2.gz MWPVOCKUODMRLP-UKRRQHHQSA-N 1 3 324.494 2.000 20 0 DEADHO CC[C@H](C(=O)NC1CC(C[NH2+]Cc2cccc(C)c2)C1)N(C)C ZINC001393905244 1158057446 /nfs/dbraw/zinc/05/74/46/1158057446.db2.gz BHCHLSVDLOLQDL-DAWZGUTISA-N 1 3 317.477 2.320 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N(C)Cc1ccc(F)cc1 ZINC001394127178 1158318471 /nfs/dbraw/zinc/31/84/71/1158318471.db2.gz KOWMNMUVNRZQAH-CQSZACIVSA-N 1 3 309.429 2.104 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N(C)Cc1ccc(F)cc1 ZINC001394127178 1158318479 /nfs/dbraw/zinc/31/84/79/1158318479.db2.gz KOWMNMUVNRZQAH-CQSZACIVSA-N 1 3 309.429 2.104 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001375156198 1158359063 /nfs/dbraw/zinc/35/90/63/1158359063.db2.gz CMVMXLBJINTCSC-UONOGXRCSA-N 1 3 319.440 2.199 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001375156198 1158359073 /nfs/dbraw/zinc/35/90/73/1158359073.db2.gz CMVMXLBJINTCSC-UONOGXRCSA-N 1 3 319.440 2.199 20 0 DEADHO Cc1ccc(C)c(CN2CC([C@@H](C)NC(=O)CC[NH+](C)C)C2)c1 ZINC001394245607 1158392683 /nfs/dbraw/zinc/39/26/83/1158392683.db2.gz DVQIWXQYGLFZPK-MRXNPFEDSA-N 1 3 317.477 2.192 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[N@H+](CCC2CC2)CC1(C)C)N(C)C ZINC001394313294 1158409500 /nfs/dbraw/zinc/40/95/00/1158409500.db2.gz UJJUSIMTDDDSMG-JKSUJKDBSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[N@@H+](CCC2CC2)CC1(C)C)N(C)C ZINC001394313294 1158409503 /nfs/dbraw/zinc/40/95/03/1158409503.db2.gz UJJUSIMTDDDSMG-JKSUJKDBSA-N 1 3 309.498 2.199 20 0 DEADHO C[C@H]1C[C@H](NCc2ccsc2)CN1C(=O)CCC[NH+](C)C ZINC001394664260 1158659401 /nfs/dbraw/zinc/65/94/01/1158659401.db2.gz BIJVYBOCEFRDSW-ZFWWWQNUSA-N 1 3 309.479 2.169 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1)N(C)C ZINC001375502831 1158778016 /nfs/dbraw/zinc/77/80/16/1158778016.db2.gz VCCNEXJKOONXEY-IXDOHACOSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCc2cccs2)C1)N(C)C ZINC001375535923 1158805940 /nfs/dbraw/zinc/80/59/40/1158805940.db2.gz MTZQQUYNJITKNU-IIAWOOMASA-N 1 3 323.506 2.115 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCC2)[C@@H]1C)N(CC)CC ZINC001375662002 1158841389 /nfs/dbraw/zinc/84/13/89/1158841389.db2.gz NCTINTTWPXGIFJ-HYVNUMGLSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCC2)[C@@H]1C)N(CC)CC ZINC001375662002 1158841390 /nfs/dbraw/zinc/84/13/90/1158841390.db2.gz NCTINTTWPXGIFJ-HYVNUMGLSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2)C[C@@H]1C ZINC001375741098 1158858404 /nfs/dbraw/zinc/85/84/04/1158858404.db2.gz PBLCWULLSRAKFM-FUHWJXTLSA-N 1 3 317.477 2.496 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001375768463 1158865918 /nfs/dbraw/zinc/86/59/18/1158865918.db2.gz SXCKTFGGZUBYFU-QGZVFWFLSA-N 1 3 303.450 2.109 20 0 DEADHO CC[C@H](F)CN1CCC(C)(CNC(=O)CCC[NH+](C)C)CC1 ZINC001375923122 1158983193 /nfs/dbraw/zinc/98/31/93/1158983193.db2.gz MDLTZTFTQYFQOF-HNNXBMFYSA-N 1 3 315.477 2.295 20 0 DEADHO Cc1cccc([C@H](C)N(C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001403568968 1163008591 /nfs/dbraw/zinc/00/85/91/1163008591.db2.gz USRAZYDAUFFLIR-LZLYRXPVSA-N 1 3 317.477 2.444 20 0 DEADHO Cc1cccc([C@H](C)N(C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001403568968 1163008594 /nfs/dbraw/zinc/00/85/94/1163008594.db2.gz USRAZYDAUFFLIR-LZLYRXPVSA-N 1 3 317.477 2.444 20 0 DEADHO CCc1ccccc1C[N@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001403579858 1163018827 /nfs/dbraw/zinc/01/88/27/1163018827.db2.gz WSBQABUJORPVIE-UHFFFAOYSA-N 1 3 317.477 2.281 20 0 DEADHO CCc1ccccc1C[N@@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001403579858 1163018836 /nfs/dbraw/zinc/01/88/36/1163018836.db2.gz WSBQABUJORPVIE-UHFFFAOYSA-N 1 3 317.477 2.281 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@@H]([NH2+]Cc2ccccc2)C2CC2)C1 ZINC001376252223 1159295263 /nfs/dbraw/zinc/29/52/63/1159295263.db2.gz LILXGOKPZXFGDW-MAUKXSAKSA-N 1 3 315.461 2.013 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001376473853 1159459529 /nfs/dbraw/zinc/45/95/29/1159459529.db2.gz CPYSOHTVLMCIES-KSZLIROESA-N 1 3 317.477 2.380 20 0 DEADHO C[C@H](N[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1)c1ccccc1F ZINC001376481422 1159464850 /nfs/dbraw/zinc/46/48/50/1159464850.db2.gz UVWOHVJRKPXEMH-MELADBBJSA-N 1 3 307.413 2.075 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC001376582525 1159572585 /nfs/dbraw/zinc/57/25/85/1159572585.db2.gz XJPSMBWGLOTEDP-HNNXBMFYSA-N 1 3 323.506 2.417 20 0 DEADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NCc1ccccc1Cl ZINC001403627187 1163060217 /nfs/dbraw/zinc/06/02/17/1163060217.db2.gz IVWISRVENFOMSK-DZGCQCFKSA-N 1 3 323.868 2.228 20 0 DEADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NCc1ccccc1Cl ZINC001403627187 1163060227 /nfs/dbraw/zinc/06/02/27/1163060227.db2.gz IVWISRVENFOMSK-DZGCQCFKSA-N 1 3 323.868 2.228 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1cccc(C)c1 ZINC001376728432 1159731579 /nfs/dbraw/zinc/73/15/79/1159731579.db2.gz CAIPMSGFFGKFOE-FUHWJXTLSA-N 1 3 317.477 2.464 20 0 DEADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCc2ccccc21 ZINC001376744181 1159756608 /nfs/dbraw/zinc/75/66/08/1159756608.db2.gz VVWRLEMMQIYFHL-KSSFIOAISA-N 1 3 315.461 2.253 20 0 DEADHO Cc1cc(C)cc(C[NH2+][C@H](C)CNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001376804376 1159807204 /nfs/dbraw/zinc/80/72/04/1159807204.db2.gz VCZPNWDFBIDTDZ-RHSMWYFYSA-N 1 3 317.477 2.240 20 0 DEADHO CC[C@H](F)CN(C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001376971827 1159860393 /nfs/dbraw/zinc/86/03/93/1159860393.db2.gz DGLKCQAYSIMMBY-JYJNAYRXSA-N 1 3 315.477 2.245 20 0 DEADHO CC[C@H](F)CN(C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001376971827 1159860395 /nfs/dbraw/zinc/86/03/95/1159860395.db2.gz DGLKCQAYSIMMBY-JYJNAYRXSA-N 1 3 315.477 2.245 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001397092421 1159972170 /nfs/dbraw/zinc/97/21/70/1159972170.db2.gz MSGUYFYCNFXITD-QLNCXWAYSA-N 1 3 313.873 2.096 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1 ZINC001397140903 1160015640 /nfs/dbraw/zinc/01/56/40/1160015640.db2.gz QOJJPJKVZPYLSX-QAQDUYKDSA-N 1 3 303.450 2.011 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCc2ccccc2)[C@@H](C)C1 ZINC001377285097 1160118390 /nfs/dbraw/zinc/11/83/90/1160118390.db2.gz MDOSOEGUYNRSTN-WMZOPIPTSA-N 1 3 317.477 2.007 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001377488737 1160420751 /nfs/dbraw/zinc/42/07/51/1160420751.db2.gz RGLWWOANFYCOMC-SJORKVTESA-N 1 3 317.477 2.321 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CC[N@H+](CCCF)CC(C)(C)C1)N(C)C ZINC001397805321 1160530602 /nfs/dbraw/zinc/53/06/02/1160530602.db2.gz HMDXZROEFUHJRJ-HUUCEWRRSA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CCCF)CC(C)(C)C1)N(C)C ZINC001397805321 1160530608 /nfs/dbraw/zinc/53/06/08/1160530608.db2.gz HMDXZROEFUHJRJ-HUUCEWRRSA-N 1 3 315.477 2.293 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2csc(C)c2)[C@@H]1C ZINC001403761165 1163146253 /nfs/dbraw/zinc/14/62/53/1163146253.db2.gz FIJUCTBSOVNHRF-GOEBONIOSA-N 1 3 323.506 2.477 20 0 DEADHO CCCN(C(=O)Cc1c[nH]cn1)C1CC[NH+](CC[C@@H](C)F)CC1 ZINC001398362742 1160865692 /nfs/dbraw/zinc/86/56/92/1160865692.db2.gz BZGWNPMJTUUGFR-CQSZACIVSA-N 1 3 324.444 2.403 20 0 DEADHO CC[C@H](C(=O)NCC1C[NH+](CCCc2ccccc2)C1)N(C)C ZINC001378008445 1160910736 /nfs/dbraw/zinc/91/07/36/1160910736.db2.gz GQBTZZOYJFDFRW-GOSISDBHSA-N 1 3 317.477 2.007 20 0 DEADHO Cc1ccccc1[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001378038515 1160948009 /nfs/dbraw/zinc/94/80/09/1160948009.db2.gz ALYVJTYDUPTQGZ-IKGGRYGDSA-N 1 3 315.461 2.293 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)N1CCCC1 ZINC001398704020 1161066240 /nfs/dbraw/zinc/06/62/40/1161066240.db2.gz YXFOQPAHVLVLCC-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)N1CCCC1 ZINC001398704020 1161066246 /nfs/dbraw/zinc/06/62/46/1161066246.db2.gz YXFOQPAHVLVLCC-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CNC(=O)CN2CC[C@H](C)C2)cc1F ZINC001399023146 1161193623 /nfs/dbraw/zinc/19/36/23/1161193623.db2.gz KPGXLSFMNUDFDJ-ZFWWWQNUSA-N 1 3 321.440 2.070 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001399438039 1161395823 /nfs/dbraw/zinc/39/58/23/1161395823.db2.gz WWBIDOZFSXVNSW-KGLIPLIRSA-N 1 3 319.440 2.246 20 0 DEADHO CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@H](C(C)C)N(C)C)CCCC1 ZINC001401183092 1161888793 /nfs/dbraw/zinc/88/87/93/1161888793.db2.gz KSOQEHFZAZCADK-CABCVRRESA-N 1 3 315.477 2.339 20 0 DEADHO CCCN(C)CC(=O)N1CCC2(C[NH+](CC3CC(C)C3)C2)CC1 ZINC001401193173 1161890650 /nfs/dbraw/zinc/89/06/50/1161890650.db2.gz KKWLKPLIPLYGAJ-UHFFFAOYSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H]1CCc2ccccc21 ZINC001401266672 1161910001 /nfs/dbraw/zinc/91/00/01/1161910001.db2.gz NBMZWVXAOLUXIU-CRAIPNDOSA-N 1 3 317.477 2.451 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[NH2+]CC1CCCCCC1 ZINC001401718718 1162090720 /nfs/dbraw/zinc/09/07/20/1162090720.db2.gz RSRWYUUBMOOENB-ZDUSSCGKSA-N 1 3 306.454 2.325 20 0 DEADHO C[NH+](C)CCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001401993842 1162210203 /nfs/dbraw/zinc/21/02/03/1162210203.db2.gz AXXCVLJXIXCJHB-CALCHBBNSA-N 1 3 307.482 2.194 20 0 DEADHO CN(CC(=O)NC1(C)CC[NH+](CC2CC2)CC1)CC(C)(C)C ZINC001402081353 1162239513 /nfs/dbraw/zinc/23/95/13/1162239513.db2.gz PZLFYMFLEBJDJE-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1CCC[N@H+](CCC(C)C)C1 ZINC001402084918 1162240884 /nfs/dbraw/zinc/24/08/84/1162240884.db2.gz VVXRKRVLQMORSQ-CVEARBPZSA-N 1 3 315.477 2.293 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1CCC[N@@H+](CCC(C)C)C1 ZINC001402084918 1162240890 /nfs/dbraw/zinc/24/08/90/1162240890.db2.gz VVXRKRVLQMORSQ-CVEARBPZSA-N 1 3 315.477 2.293 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001402084654 1162241258 /nfs/dbraw/zinc/24/12/58/1162241258.db2.gz VDZOUWPKTFMAGK-CVEARBPZSA-N 1 3 313.461 2.047 20 0 DEADHO CCc1ccc(CN2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001402089655 1162243139 /nfs/dbraw/zinc/24/31/39/1162243139.db2.gz BPNYEKCKMOXKLW-GOSISDBHSA-N 1 3 317.477 2.281 20 0 DEADHO CC(C)(C(=O)N1CC[C@@](C)(C[NH2+]CC2CC2)C1)N1CCCCC1 ZINC001402177672 1162276184 /nfs/dbraw/zinc/27/61/84/1162276184.db2.gz JDDHSSNXAMWKFG-IBGZPJMESA-N 1 3 321.509 2.489 20 0 DEADHO CC[N@@H+](C/C=C\c1ccccc1)CCNC(=O)[C@@H]1CCCN1C ZINC001492925858 1163306139 /nfs/dbraw/zinc/30/61/39/1163306139.db2.gz QLZMKOUVTFTDLF-VTSXBNNFSA-N 1 3 315.461 2.232 20 0 DEADHO CC[N@H+](C/C=C\c1ccccc1)CCNC(=O)[C@@H]1CCCN1C ZINC001492925858 1163306146 /nfs/dbraw/zinc/30/61/46/1163306146.db2.gz QLZMKOUVTFTDLF-VTSXBNNFSA-N 1 3 315.461 2.232 20 0 DEADHO CCCN(C)CC(=O)NCC[N@H+](CC)[C@@H]1CCc2ccccc21 ZINC001403943247 1163317846 /nfs/dbraw/zinc/31/78/46/1163317846.db2.gz KTKARSSKHGACTN-GOSISDBHSA-N 1 3 317.477 2.454 20 0 DEADHO CCCN(C)CC(=O)NCC[N@@H+](CC)[C@@H]1CCc2ccccc21 ZINC001403943247 1163317852 /nfs/dbraw/zinc/31/78/52/1163317852.db2.gz KTKARSSKHGACTN-GOSISDBHSA-N 1 3 317.477 2.454 20 0 DEADHO CN(CC(=O)N1CC[C@@H](C[N@H+](C)C/C=C/Cl)C1)C1CCC1 ZINC001404581326 1163721856 /nfs/dbraw/zinc/72/18/56/1163721856.db2.gz SVANZHKTNORQCN-PXYYCUNGSA-N 1 3 313.873 2.004 20 0 DEADHO CN(CC(=O)N1CC[C@@H](C[N@@H+](C)C/C=C/Cl)C1)C1CCC1 ZINC001404581326 1163721860 /nfs/dbraw/zinc/72/18/60/1163721860.db2.gz SVANZHKTNORQCN-PXYYCUNGSA-N 1 3 313.873 2.004 20 0 DEADHO CC[C@H](C(=O)NCC1C[NH+](CCC2CCCCC2)C1)N(C)C ZINC001404925457 1163861495 /nfs/dbraw/zinc/86/14/95/1163861495.db2.gz VTZYBAJHYZBLPD-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1CN(Cc2ccccc2)C1 ZINC001404929436 1163862236 /nfs/dbraw/zinc/86/22/36/1163862236.db2.gz JWJNWZAOEFTUQH-IYBDPMFKSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1CN(Cc2ccccc2)C1 ZINC001404929436 1163862237 /nfs/dbraw/zinc/86/22/37/1163862237.db2.gz JWJNWZAOEFTUQH-IYBDPMFKSA-N 1 3 315.461 2.107 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@@](C)(NC(=O)Cc1nc[nH]c1C)C1CC1 ZINC001405466145 1164105232 /nfs/dbraw/zinc/10/52/32/1164105232.db2.gz MWBMHGFDDJEINI-SJKOYZFVSA-N 1 3 306.454 2.181 20 0 DEADHO CCCN(C)CC(=O)N1CCC2(CC[N@H+](CC3CC3)C2)CC1 ZINC001405635121 1164168792 /nfs/dbraw/zinc/16/87/92/1164168792.db2.gz VKZQIXIGAVTDBV-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO CCCN(C)CC(=O)N1CCC2(CC[N@@H+](CC3CC3)C2)CC1 ZINC001405635121 1164168794 /nfs/dbraw/zinc/16/87/94/1164168794.db2.gz VKZQIXIGAVTDBV-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO C[NH+](C)CCC(=O)N1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001405787016 1164238379 /nfs/dbraw/zinc/23/83/79/1164238379.db2.gz FLMMZFLNIFNGDA-UHFFFAOYSA-N 1 3 315.461 2.063 20 0 DEADHO CC1CC(C[N@H+](C)CCN(C)C(=O)CN2CCC(C)CC2)C1 ZINC001406147324 1164476319 /nfs/dbraw/zinc/47/63/19/1164476319.db2.gz NTTRHQNBZKDLNK-UHFFFAOYSA-N 1 3 309.498 2.155 20 0 DEADHO CC1CC(C[N@@H+](C)CCN(C)C(=O)CN2CCC(C)CC2)C1 ZINC001406147324 1164476322 /nfs/dbraw/zinc/47/63/22/1164476322.db2.gz NTTRHQNBZKDLNK-UHFFFAOYSA-N 1 3 309.498 2.155 20 0 DEADHO Cc1ccc(CN(C)CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)c(C)c1 ZINC001406163740 1164487473 /nfs/dbraw/zinc/48/74/73/1164487473.db2.gz KDSATCPCOPYLTF-SFHVURJKSA-N 1 3 317.477 2.145 20 0 DEADHO Cc1ccc(CN(C)CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)c(C)c1 ZINC001406163740 1164487479 /nfs/dbraw/zinc/48/74/79/1164487479.db2.gz KDSATCPCOPYLTF-SFHVURJKSA-N 1 3 317.477 2.145 20 0 DEADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC001414744039 1165972186 /nfs/dbraw/zinc/97/21/86/1165972186.db2.gz PTIJYHNSDQNRNB-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H]1CCC[N@H+]1CCNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC001414744039 1165972195 /nfs/dbraw/zinc/97/21/95/1165972195.db2.gz PTIJYHNSDQNRNB-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO CC(C)CCC[N@@H+]1CC[C@H]1CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001417754543 1167188222 /nfs/dbraw/zinc/18/82/22/1167188222.db2.gz HJMHHCIHGWGKFQ-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CCC[N@H+]1CC[C@H]1CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001417754543 1167188226 /nfs/dbraw/zinc/18/82/26/1167188226.db2.gz HJMHHCIHGWGKFQ-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1)N(C)C ZINC001418062427 1167389547 /nfs/dbraw/zinc/38/95/47/1167389547.db2.gz JNGCFACSXFSYAI-RBSFLKMASA-N 1 3 309.479 2.071 20 0 DEADHO C[NH+](C)CCC(=O)N1CCC[C@@H](CNC/C(Cl)=C/Cl)C1 ZINC001418134474 1167432879 /nfs/dbraw/zinc/43/28/79/1167432879.db2.gz ASFQDIUAXANYDM-OEMOTLHWSA-N 1 3 322.280 2.085 20 0 DEADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001418232330 1167507244 /nfs/dbraw/zinc/50/72/44/1167507244.db2.gz DEURKTCZIAUHHE-ZIAGYGMSSA-N 1 3 321.440 2.465 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]CCC(F)(F)F)N(C)C ZINC001418426805 1167647422 /nfs/dbraw/zinc/64/74/22/1167647422.db2.gz LPBIQUNFDPTRMG-VXGBXAGGSA-N 1 3 311.392 2.009 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001418691698 1167890470 /nfs/dbraw/zinc/89/04/70/1167890470.db2.gz QJZHCSJJGFVVCH-AWEZNQCLSA-N 1 3 306.454 2.135 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001418691698 1167890471 /nfs/dbraw/zinc/89/04/71/1167890471.db2.gz QJZHCSJJGFVVCH-AWEZNQCLSA-N 1 3 306.454 2.135 20 0 DEADHO CC[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]C/C=C/Cl)C1)N(C)C ZINC001418788551 1167962193 /nfs/dbraw/zinc/96/21/93/1167962193.db2.gz HKEMCGAYYKLMOP-SUMGSTKGSA-N 1 3 315.889 2.440 20 0 DEADHO CC[C@H](C)C[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001418943033 1168084266 /nfs/dbraw/zinc/08/42/66/1168084266.db2.gz SCNCGXBWCPAMER-RDJZCZTQSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001418943033 1168084272 /nfs/dbraw/zinc/08/42/72/1168084272.db2.gz SCNCGXBWCPAMER-RDJZCZTQSA-N 1 3 309.498 2.297 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCc1ccc(C[NH2+]CC(C)C)cc1 ZINC001419394585 1168442538 /nfs/dbraw/zinc/44/25/38/1168442538.db2.gz YUARESRQHOZSKK-UHFFFAOYSA-N 1 3 314.433 2.323 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2C)C1)N(C)C ZINC001419406350 1168450461 /nfs/dbraw/zinc/45/04/61/1168450461.db2.gz LWXOVAIXWGXNDC-BRWVUGGUSA-N 1 3 321.440 2.211 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001419520618 1168570838 /nfs/dbraw/zinc/57/08/38/1168570838.db2.gz QSQHEVJRXQXUSD-CALCHBBNSA-N 1 3 321.440 2.233 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCC[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001419538205 1168582058 /nfs/dbraw/zinc/58/20/58/1168582058.db2.gz CGOJCXUMKRVCRA-DZGCQCFKSA-N 1 3 306.454 2.135 20 0 DEADHO CC[C@H](C)C[N@H+]1CCC[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001419538205 1168582066 /nfs/dbraw/zinc/58/20/66/1168582066.db2.gz CGOJCXUMKRVCRA-DZGCQCFKSA-N 1 3 306.454 2.135 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCC1)N(C)C ZINC001419605245 1168661408 /nfs/dbraw/zinc/66/14/08/1168661408.db2.gz AYWIYOHFGZWNPM-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C2(N(C)C)CCC2)cc1 ZINC001419665809 1168778819 /nfs/dbraw/zinc/77/88/19/1168778819.db2.gz KCRHIJYJHYDIBF-MRXNPFEDSA-N 1 3 317.477 2.416 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001419756707 1168834414 /nfs/dbraw/zinc/83/44/14/1168834414.db2.gz NBOFZPXPBIFKSE-YOEHRIQHSA-N 1 3 321.440 2.294 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]C/C=C\c1ccccc1)N(C)C ZINC001419777556 1168842430 /nfs/dbraw/zinc/84/24/30/1168842430.db2.gz SYFWBLUPYNLLFD-IKTMDDPPSA-N 1 3 303.450 2.134 20 0 DEADHO CC[C@@H](C(=O)N1CCC(CC[N@H+](C)CC2CC2)CC1)N(C)C ZINC001419835702 1168867082 /nfs/dbraw/zinc/86/70/82/1168867082.db2.gz BCSJNZLUSWWXHQ-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CC1CC1 ZINC001419877608 1168887178 /nfs/dbraw/zinc/88/71/78/1168887178.db2.gz BZGKWERCSGJVHQ-MRXNPFEDSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H](CNCc1ccns1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001420355825 1169394269 /nfs/dbraw/zinc/39/42/69/1169394269.db2.gz ZOSQIKCQMQXTRX-KGLIPLIRSA-N 1 3 324.494 2.002 20 0 DEADHO CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001420544393 1169761187 /nfs/dbraw/zinc/76/11/87/1169761187.db2.gz MTPSIJXHXQCMJX-WMLDXEAASA-N 1 3 313.461 2.047 20 0 DEADHO CCC[N@H+]1CC[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001420544393 1169761193 /nfs/dbraw/zinc/76/11/93/1169761193.db2.gz MTPSIJXHXQCMJX-WMLDXEAASA-N 1 3 313.461 2.047 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001420559134 1169797126 /nfs/dbraw/zinc/79/71/26/1169797126.db2.gz VPURZKSFGODJJN-AWEZNQCLSA-N 1 3 318.465 2.135 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001420559134 1169797136 /nfs/dbraw/zinc/79/71/36/1169797136.db2.gz VPURZKSFGODJJN-AWEZNQCLSA-N 1 3 318.465 2.135 20 0 DEADHO C[C@@H]([NH2+]CCN(C)C(=O)C1(N(C)C)CCC1)c1ccc(F)cc1 ZINC001420728868 1171090621 /nfs/dbraw/zinc/09/06/21/1171090621.db2.gz LEVSDBVTYJTBQL-CQSZACIVSA-N 1 3 321.440 2.419 20 0 DEADHO CC[N@H+](C)CCC(=O)NCC1(N[C@@H](C)c2ccc(F)cc2)CC1 ZINC001420990230 1171405502 /nfs/dbraw/zinc/40/55/02/1171405502.db2.gz FGACHFGEEXFGCN-AWEZNQCLSA-N 1 3 321.440 2.467 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCC1(N[C@@H](C)c2ccc(F)cc2)CC1 ZINC001420990230 1171405522 /nfs/dbraw/zinc/40/55/22/1171405522.db2.gz FGACHFGEEXFGCN-AWEZNQCLSA-N 1 3 321.440 2.467 20 0 DEADHO CC[N@H+](C)CCC(=O)NCC1(NCc2cc(F)ccc2C)CC1 ZINC001420994550 1171412464 /nfs/dbraw/zinc/41/24/64/1171412464.db2.gz SUMNFARRCNUDFD-UHFFFAOYSA-N 1 3 321.440 2.214 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCC1(NCc2cc(F)ccc2C)CC1 ZINC001420994550 1171412471 /nfs/dbraw/zinc/41/24/71/1171412471.db2.gz SUMNFARRCNUDFD-UHFFFAOYSA-N 1 3 321.440 2.214 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC001421005895 1171422727 /nfs/dbraw/zinc/42/27/27/1171422727.db2.gz HZEIGSPJOQXGNW-KRWDZBQOSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001421005895 1171422733 /nfs/dbraw/zinc/42/27/33/1171422733.db2.gz HZEIGSPJOQXGNW-KRWDZBQOSA-N 1 3 309.498 2.296 20 0 DEADHO CC[N@H+](CCNC(=O)Cc1nc[nH]c1C)C1CCCCCC1 ZINC001421014524 1171430116 /nfs/dbraw/zinc/43/01/16/1171430116.db2.gz DEQMMJQAFBTGIN-UHFFFAOYSA-N 1 3 306.454 2.422 20 0 DEADHO CC[N@@H+](CCNC(=O)Cc1nc[nH]c1C)C1CCCCCC1 ZINC001421014524 1171430123 /nfs/dbraw/zinc/43/01/23/1171430123.db2.gz DEQMMJQAFBTGIN-UHFFFAOYSA-N 1 3 306.454 2.422 20 0 DEADHO CCC(CC)C[NH2+]C[C@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001421130399 1171517276 /nfs/dbraw/zinc/51/72/76/1171517276.db2.gz QMLJFCVQMQZEPA-DOTOQJQBSA-N 1 3 309.498 2.345 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CC2CC2)C1 ZINC001421271961 1171657554 /nfs/dbraw/zinc/65/75/54/1171657554.db2.gz RQQJRXIEPRDILE-SJLPKXTDSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)C[NH+]1CCC(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001421633667 1171875548 /nfs/dbraw/zinc/87/55/48/1171875548.db2.gz OVCMNSNUKLDMGU-INIZCTEOSA-N 1 3 309.498 2.203 20 0 DEADHO CC[C@@H](C)C[NH2+]C1(C)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001422039007 1172247619 /nfs/dbraw/zinc/24/76/19/1172247619.db2.gz COOBKQAOYSMBBT-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001422110010 1172309888 /nfs/dbraw/zinc/30/98/88/1172309888.db2.gz QEKWIIKVZAJXDM-NVXWUHKLSA-N 1 3 323.525 2.495 20 0 DEADHO CN(CC[N@H+](C)[C@H]1CCc2ccccc21)C(=O)[C@H]1CCCN1C ZINC001422182806 1172378726 /nfs/dbraw/zinc/37/87/26/1172378726.db2.gz OIHHBGDRLJSSML-ZWKOTPCHSA-N 1 3 315.461 2.158 20 0 DEADHO CN(CC[N@@H+](C)[C@H]1CCc2ccccc21)C(=O)[C@H]1CCCN1C ZINC001422182806 1172378737 /nfs/dbraw/zinc/37/87/37/1172378737.db2.gz OIHHBGDRLJSSML-ZWKOTPCHSA-N 1 3 315.461 2.158 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCC1 ZINC001422251905 1172439396 /nfs/dbraw/zinc/43/93/96/1172439396.db2.gz JVWGBOPWTFSYTH-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCC1 ZINC001422251905 1172439403 /nfs/dbraw/zinc/43/94/03/1172439403.db2.gz JVWGBOPWTFSYTH-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO COc1ccc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC001422739090 1172837287 /nfs/dbraw/zinc/83/72/87/1172837287.db2.gz WALIXTUPCOAPBL-ROUUACIJSA-N 1 3 304.434 2.163 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001422920497 1172934949 /nfs/dbraw/zinc/93/49/49/1172934949.db2.gz XDBQEVLMYXSYAV-BRSBDYLESA-N 1 3 323.525 2.495 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001423372679 1173310895 /nfs/dbraw/zinc/31/08/95/1173310895.db2.gz CYDLWPNICKJHPJ-AEFFLSMTSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C)C[N@H+]1CC[C@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001423372679 1173310905 /nfs/dbraw/zinc/31/09/05/1173310905.db2.gz CYDLWPNICKJHPJ-AEFFLSMTSA-N 1 3 309.498 2.297 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC001423416748 1173339019 /nfs/dbraw/zinc/33/90/19/1173339019.db2.gz KPMZMQRXJVCQBR-ZBFHGGJFSA-N 1 3 323.506 2.464 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001423568171 1173415649 /nfs/dbraw/zinc/41/56/49/1173415649.db2.gz YONWAXDAUOGVLN-LJQANCHMSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001423568171 1173415650 /nfs/dbraw/zinc/41/56/50/1173415650.db2.gz YONWAXDAUOGVLN-LJQANCHMSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001424861173 1173996665 /nfs/dbraw/zinc/99/66/65/1173996665.db2.gz TYGITRUQUBXBLZ-LSDHHAIUSA-N 1 3 323.456 2.479 20 0 DEADHO Cc1cccc(CN(C)[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001424937482 1174044104 /nfs/dbraw/zinc/04/41/04/1174044104.db2.gz JTFIZOUWCWPWNK-JFIYKMOQSA-N 1 3 317.477 2.272 20 0 DEADHO Cc1cccc(CN(C)[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001424937482 1174044115 /nfs/dbraw/zinc/04/41/15/1174044115.db2.gz JTFIZOUWCWPWNK-JFIYKMOQSA-N 1 3 317.477 2.272 20 0 DEADHO CC[C@H](C)C[NH2+]C[C@H](NC(=O)Cc1nc[nH]c1C)C(C)(C)C ZINC001426144658 1174616148 /nfs/dbraw/zinc/61/61/48/1174616148.db2.gz GSGMLVHNXHYXIG-WFASDCNBSA-N 1 3 308.470 2.427 20 0 DEADHO CN(CCNC[C@@H]([NH3+])CC(F)(F)F)Cc1ccc(F)cc1 ZINC001578473851 1176442584 /nfs/dbraw/zinc/44/25/84/1176442584.db2.gz QZTZSUKKRFRGRM-ZDUSSCGKSA-N 1 3 307.335 2.127 20 0 DEADHO COCC[C@H](N)C[NH+]1CCC(CCC(=O)OC(C)(C)C)CC1 ZINC001579002979 1177409627 /nfs/dbraw/zinc/40/96/27/1177409627.db2.gz WFKSULLSAIVTLU-HNNXBMFYSA-N 1 3 314.470 2.184 20 0 DEADHO CN(CC(=O)N(CCc1ccccc1)CC[NH+](C)C)C1CCC1 ZINC001433616829 1177893165 /nfs/dbraw/zinc/89/31/65/1177893165.db2.gz WNHJLCAYYBFTAV-UHFFFAOYSA-N 1 3 317.477 2.104 20 0 DEADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCN(C)C2(CCCCC2)C1 ZINC001434007646 1178135439 /nfs/dbraw/zinc/13/54/39/1178135439.db2.gz WZCMHRLESLSNPW-HOTGVXAUSA-N 1 3 307.482 2.336 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C/C=C\Cl)C1 ZINC001436383377 1179072169 /nfs/dbraw/zinc/07/21/69/1179072169.db2.gz DVFQCOLBDHSRJM-JTMMFLHMSA-N 1 3 313.873 2.098 20 0 DEADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCC2)C1)CC(C)(C)C ZINC001436911888 1179299717 /nfs/dbraw/zinc/29/97/17/1179299717.db2.gz JUIBBTJUYNHXNW-WKILWMFISA-N 1 3 309.498 2.391 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001436976158 1179325978 /nfs/dbraw/zinc/32/59/78/1179325978.db2.gz NETWGKFJYRMDAL-XYPHTWIQSA-N 1 3 321.440 2.465 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001437063893 1179383811 /nfs/dbraw/zinc/38/38/11/1179383811.db2.gz KZWKTCWIGBWSBS-NVXWUHKLSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001437063893 1179383817 /nfs/dbraw/zinc/38/38/17/1179383817.db2.gz KZWKTCWIGBWSBS-NVXWUHKLSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CCNC(=O)CN(C)C2CCC2)cc1 ZINC001437385224 1179775844 /nfs/dbraw/zinc/77/58/44/1179775844.db2.gz WFLGHZUVHACPRF-MRXNPFEDSA-N 1 3 317.477 2.464 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](C)Cc1c(C)cccc1C)N(C)C ZINC001437517638 1179833428 /nfs/dbraw/zinc/83/34/28/1179833428.db2.gz RJXBOOBWODVZQF-KRWDZBQOSA-N 1 3 305.466 2.192 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](C)Cc1c(C)cccc1C)N(C)C ZINC001437517638 1179833430 /nfs/dbraw/zinc/83/34/30/1179833430.db2.gz RJXBOOBWODVZQF-KRWDZBQOSA-N 1 3 305.466 2.192 20 0 DEADHO Cc1ccc(C)c(CN(C)CCNC(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC001437556761 1179845309 /nfs/dbraw/zinc/84/53/09/1179845309.db2.gz PRAZNTDAVNADGK-SFHVURJKSA-N 1 3 319.493 2.438 20 0 DEADHO CC[C@@H](CNC(=O)CC[NH+](C)C)NCc1sccc1Cl ZINC001438330688 1180345720 /nfs/dbraw/zinc/34/57/20/1180345720.db2.gz NXKXQSKXOOGMGM-NSHDSACASA-N 1 3 317.886 2.338 20 0 DEADHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCc1cccs1 ZINC001438332978 1180351132 /nfs/dbraw/zinc/35/11/32/1180351132.db2.gz MSSQJTRLJFXDDG-CABCVRRESA-N 1 3 323.506 2.117 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1F ZINC001438547615 1180581776 /nfs/dbraw/zinc/58/17/76/1180581776.db2.gz GKFSBLLNHYZBQD-AWEZNQCLSA-N 1 3 309.429 2.008 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CC2CC2)CCCC1 ZINC001438613419 1180666491 /nfs/dbraw/zinc/66/64/91/1180666491.db2.gz TZEDFXGWHNVHIW-GASCZTMLSA-N 1 3 307.482 2.288 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CCC(C)C)CCCC1 ZINC001438615458 1180666763 /nfs/dbraw/zinc/66/67/63/1180666763.db2.gz ZIZJOJFBWZYODP-UHFFFAOYSA-N 1 3 306.454 2.325 20 0 DEADHO C[C@H](C[NH2+][C@@H](C)c1cccc(F)c1)N(C)C(=O)CN1CCCC1 ZINC001438725738 1180796217 /nfs/dbraw/zinc/79/62/17/1180796217.db2.gz WLSSQBBQHLWQAG-CABCVRRESA-N 1 3 321.440 2.419 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCN(C)Cc1ccccc1 ZINC001438875549 1180839715 /nfs/dbraw/zinc/83/97/15/1180839715.db2.gz JDAANHJBTTVXKN-SFHVURJKSA-N 1 3 317.477 2.450 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCN(C)Cc1ccccc1 ZINC001438875549 1180839716 /nfs/dbraw/zinc/83/97/16/1180839716.db2.gz JDAANHJBTTVXKN-SFHVURJKSA-N 1 3 317.477 2.450 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)CC[N@H+](C)CCCC2CCC2)C1 ZINC001438919825 1180850578 /nfs/dbraw/zinc/85/05/78/1180850578.db2.gz UWZYKOUPFZXQKO-INIZCTEOSA-N 1 3 309.498 2.299 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)CC[N@@H+](C)CCCC2CCC2)C1 ZINC001438919825 1180850579 /nfs/dbraw/zinc/85/05/79/1180850579.db2.gz UWZYKOUPFZXQKO-INIZCTEOSA-N 1 3 309.498 2.299 20 0 DEADHO C[C@@H](C[N@H+](C)CCC1CC1)NC(=O)C(C)(C)N1CCCCC1 ZINC001439324977 1181023170 /nfs/dbraw/zinc/02/31/70/1181023170.db2.gz JKPKDGXOGOAMAZ-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](C[N@@H+](C)CCC1CC1)NC(=O)C(C)(C)N1CCCCC1 ZINC001439324977 1181023174 /nfs/dbraw/zinc/02/31/74/1181023174.db2.gz JKPKDGXOGOAMAZ-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+][C@H]2CCc3ccccc32)CC1)N(C)C ZINC001439619166 1181171868 /nfs/dbraw/zinc/17/18/68/1181171868.db2.gz AMENOHMIOAGBPH-DLBZAZTESA-N 1 3 315.461 2.253 20 0 DEADHO C[C@H]([NH2+]C/C=C\Cl)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001440116209 1181356098 /nfs/dbraw/zinc/35/60/98/1181356098.db2.gz NWLWNVTYXLXIQB-VMZLMLEMSA-N 1 3 313.873 2.050 20 0 DEADHO CC(C)C[C@H](C)C[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001440148227 1181367716 /nfs/dbraw/zinc/36/77/16/1181367716.db2.gz IHHXBUZJXUPEQT-HRCADAONSA-N 1 3 318.465 2.025 20 0 DEADHO CC(C)C[C@H](C)C[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001440148227 1181367721 /nfs/dbraw/zinc/36/77/21/1181367721.db2.gz IHHXBUZJXUPEQT-HRCADAONSA-N 1 3 318.465 2.025 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+]Cc2cccc(F)c2)CCC1 ZINC001440350497 1181460371 /nfs/dbraw/zinc/46/03/71/1181460371.db2.gz DKVKZGHXNOBSKD-UHFFFAOYSA-N 1 3 321.440 2.294 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)CCC[N@H+](C)Cc2ccccc2)C1 ZINC001440464672 1181533906 /nfs/dbraw/zinc/53/39/06/1181533906.db2.gz NPGWLDXQBISTMA-KRWDZBQOSA-N 1 3 317.477 2.309 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)CCC[N@@H+](C)Cc2ccccc2)C1 ZINC001440464672 1181533925 /nfs/dbraw/zinc/53/39/25/1181533925.db2.gz NPGWLDXQBISTMA-KRWDZBQOSA-N 1 3 317.477 2.309 20 0 DEADHO C[C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)CC[N@@H+]1CCCF ZINC001440647707 1181625706 /nfs/dbraw/zinc/62/57/06/1181625706.db2.gz LIMZBIBUMDKCMN-LSDHHAIUSA-N 1 3 315.477 2.293 20 0 DEADHO C[C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)CC[N@H+]1CCCF ZINC001440647707 1181625713 /nfs/dbraw/zinc/62/57/13/1181625713.db2.gz LIMZBIBUMDKCMN-LSDHHAIUSA-N 1 3 315.477 2.293 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)NCC=C(Cl)Cl ZINC001440826498 1181716028 /nfs/dbraw/zinc/71/60/28/1181716028.db2.gz BVWDJYSGLOWIBZ-QWRGUYRKSA-N 1 3 310.269 2.130 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H](C)NCC=C(Cl)Cl ZINC001440826498 1181716033 /nfs/dbraw/zinc/71/60/33/1181716033.db2.gz BVWDJYSGLOWIBZ-QWRGUYRKSA-N 1 3 310.269 2.130 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)C2(N(C)C)CCC2)CC1 ZINC001440982579 1181811394 /nfs/dbraw/zinc/81/13/94/1181811394.db2.gz DTRQQOFKMHLNBL-OAHLLOKOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]CC1CCC1)C1CC1 ZINC001441436582 1181994791 /nfs/dbraw/zinc/99/47/91/1181994791.db2.gz FIXHKRGXECBSHE-MSOLQXFVSA-N 1 3 321.509 2.486 20 0 DEADHO C[C@H](CNC(=O)CCC[NH+](C)C)N[C@H](C)c1ccccc1F ZINC001441948100 1182264878 /nfs/dbraw/zinc/26/48/78/1182264878.db2.gz AGEMWQVKNWHUCC-ZIAGYGMSSA-N 1 3 309.429 2.323 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001442158515 1182350306 /nfs/dbraw/zinc/35/03/06/1182350306.db2.gz XFCBKHHBTMPEEW-KRWDZBQOSA-N 1 3 317.477 2.456 20 0 DEADHO C[C@H]([NH2+]CCN(C)C(=O)CN1CC[C@@H](C)C1)c1cccc(F)c1 ZINC001443078413 1182842541 /nfs/dbraw/zinc/84/25/41/1182842541.db2.gz KZICIUIQYPQKFO-CABCVRRESA-N 1 3 321.440 2.277 20 0 DEADHO CC(C)N(C)CC(=O)NCCC1CC[NH+](CC[C@@H](C)F)CC1 ZINC001444236459 1183321132 /nfs/dbraw/zinc/32/11/32/1183321132.db2.gz VEOJNSBKWMODPG-OAHLLOKOSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)C[NH2+]C[C@@H](C)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC001444721300 1183529797 /nfs/dbraw/zinc/52/97/97/1183529797.db2.gz MCEZOGRQGLLBHS-OAHLLOKOSA-N 1 3 305.466 2.454 20 0 DEADHO C[C@@H](C[NH2+]Cc1ccc(Cl)cc1)NC(=O)CN(C)C1CCC1 ZINC001445556964 1183903184 /nfs/dbraw/zinc/90/31/84/1183903184.db2.gz HZTAJAZTAGULGM-ZDUSSCGKSA-N 1 3 323.868 2.419 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CC(F)(F)C1 ZINC001445655309 1183957244 /nfs/dbraw/zinc/95/72/44/1183957244.db2.gz JTHVDMFWGPGKQH-JSGCOSHPSA-N 1 3 317.424 2.000 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CCC1CC1 ZINC001445820806 1184072422 /nfs/dbraw/zinc/07/24/22/1184072422.db2.gz VARUMQQJAJGSSQ-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CCC1CC1 ZINC001445820806 1184072432 /nfs/dbraw/zinc/07/24/32/1184072432.db2.gz VARUMQQJAJGSSQ-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO CCCN(C)CC(=O)N1CCC([N@H+](CCF)CC2CC2)CC1 ZINC001446306747 1184303857 /nfs/dbraw/zinc/30/38/57/1184303857.db2.gz SUAACSMWSHNFOH-UHFFFAOYSA-N 1 3 313.461 2.001 20 0 DEADHO CCCN(C)CC(=O)N1CCC([N@@H+](CCF)CC2CC2)CC1 ZINC001446306747 1184303862 /nfs/dbraw/zinc/30/38/62/1184303862.db2.gz SUAACSMWSHNFOH-UHFFFAOYSA-N 1 3 313.461 2.001 20 0 DEADHO C[NH+](C)CCC(=O)N[C@@]1(C)CCN(Cc2ccc(CF)cc2)C1 ZINC001446565392 1184418130 /nfs/dbraw/zinc/41/81/30/1184418130.db2.gz SCGXXPONNWWOOJ-SFHVURJKSA-N 1 3 321.440 2.188 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CCC2)CC1(C)C)N(C)C ZINC001447587399 1184818850 /nfs/dbraw/zinc/81/88/50/1184818850.db2.gz QNHUYTQEOUUODH-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCC2)CC1(C)C)N(C)C ZINC001447587399 1184818856 /nfs/dbraw/zinc/81/88/56/1184818856.db2.gz QNHUYTQEOUUODH-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C)ccc1F ZINC001447930943 1184961662 /nfs/dbraw/zinc/96/16/62/1184961662.db2.gz ZIFLETFQOCYCAB-CABCVRRESA-N 1 3 323.456 2.459 20 0 DEADHO CC[C@H](C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001448434683 1185225226 /nfs/dbraw/zinc/22/52/26/1185225226.db2.gz HZHUURPUTDDYMV-LUKYLMHMSA-N 1 3 321.509 2.201 20 0 DEADHO CC[C@H](C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001448434683 1185225232 /nfs/dbraw/zinc/22/52/32/1185225232.db2.gz HZHUURPUTDDYMV-LUKYLMHMSA-N 1 3 321.509 2.201 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(F)c1)N(C)C ZINC001448675207 1185357709 /nfs/dbraw/zinc/35/77/09/1185357709.db2.gz RQBWVJMVRVULFA-YOEHRIQHSA-N 1 3 323.456 2.348 20 0 DEADHO CCC[NH+]1CCC(C2(NC(=O)CN(C)C3CCC3)CC2)CC1 ZINC001449401324 1185701488 /nfs/dbraw/zinc/70/14/88/1185701488.db2.gz LZCRAEKZWUHMFW-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1CN(c2cccc(OCC[NH+]3CCCC3)n2)[C@H](C)CN1C ZINC001164637131 719226132 /nfs/dbraw/zinc/22/61/32/719226132.db2.gz LCDXRGFWRFXQTB-HZPDHXFCSA-N 1 3 318.465 2.085 20 0 DEADHO CN(Cc1ccc(N2CCC(C[NH+](C)C)CC2)nc1)C1CC1 ZINC001165044476 721949786 /nfs/dbraw/zinc/94/97/86/721949786.db2.gz BCGCUHUPVWVVAT-UHFFFAOYSA-N 1 3 302.466 2.454 20 0 DEADHO Cc1cc(C[NH2+]C[C@H](C)NC(=O)CN(C)C(C)C)c(C)s1 ZINC001406563593 1164679094 /nfs/dbraw/zinc/67/90/94/1164679094.db2.gz RWJYUWAMZCLVHJ-LBPRGKRZSA-N 1 3 311.495 2.299 20 0 DEADHO CN1CCN(CCCNc2ccc(C3([NH3+])CCC3)cc2)CC1 ZINC001161708703 783045218 /nfs/dbraw/zinc/04/52/18/783045218.db2.gz RWNZZOMDCBLUOH-UHFFFAOYSA-N 1 3 302.466 2.074 20 0 DEADHO CCC[N@@H+]1CC[C@H](NC(=O)CN2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493643 783159415 /nfs/dbraw/zinc/15/94/15/783159415.db2.gz YNFVRHMKDGIXMK-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CC[C@H](NC(=O)CN2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493643 783159420 /nfs/dbraw/zinc/15/94/20/783159420.db2.gz YNFVRHMKDGIXMK-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CC[N@H+](CC2CCCC2)C3)C1 ZINC001072983415 790355777 /nfs/dbraw/zinc/35/57/77/790355777.db2.gz VQPACUFELWAUBN-MRXNPFEDSA-N 1 3 319.493 2.053 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CC[N@@H+](CC2CCCC2)C3)C1 ZINC001072983415 790355789 /nfs/dbraw/zinc/35/57/89/790355789.db2.gz VQPACUFELWAUBN-MRXNPFEDSA-N 1 3 319.493 2.053 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](CCCC1CCC1)C2)N(C)C ZINC001072991311 790361202 /nfs/dbraw/zinc/36/12/02/790361202.db2.gz RTLULUDUWOLCGZ-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CCCC1CCC1)C2)N(C)C ZINC001072991311 790361213 /nfs/dbraw/zinc/36/12/13/790361213.db2.gz RTLULUDUWOLCGZ-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO c1csc(C[N@H+]2CCC3(C2)CCN(Cc2cn[nH]n2)CC3)c1 ZINC001203199889 776584692 /nfs/dbraw/zinc/58/46/92/776584692.db2.gz NMFIOGQFPWZDOG-UHFFFAOYSA-N 1 3 317.462 2.354 20 0 DEADHO c1csc(C[N@@H+]2CCC3(C2)CCN(Cc2cn[nH]n2)CC3)c1 ZINC001203199889 776584701 /nfs/dbraw/zinc/58/47/01/776584701.db2.gz NMFIOGQFPWZDOG-UHFFFAOYSA-N 1 3 317.462 2.354 20 0 DEADHO CN1CCC[C@H](C[N@@H+]2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)C1 ZINC001208608417 776599309 /nfs/dbraw/zinc/59/93/09/776599309.db2.gz SKGOVJRWBDSCKX-AVGNSLFASA-N 1 3 312.351 2.056 20 0 DEADHO CN1CCC[C@H](C[N@H+]2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)C1 ZINC001208608417 776599314 /nfs/dbraw/zinc/59/93/14/776599314.db2.gz SKGOVJRWBDSCKX-AVGNSLFASA-N 1 3 312.351 2.056 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2F)C1 ZINC001210219717 776862580 /nfs/dbraw/zinc/86/25/80/776862580.db2.gz TVVKRYPTSNUJFY-INIZCTEOSA-N 1 3 321.440 2.248 20 0 DEADHO [NH3+]CC1(N(Cc2ccccc2)c2c[nH]cc3ccnc2-3)COC1 ZINC001167374673 776963942 /nfs/dbraw/zinc/96/39/42/776963942.db2.gz RDIFEIMIOHPTLC-UHFFFAOYSA-N 1 3 308.385 2.297 20 0 DEADHO CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC001075448327 777331280 /nfs/dbraw/zinc/33/12/80/777331280.db2.gz UCEFTYZGRLYWBK-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC001075448327 777331284 /nfs/dbraw/zinc/33/12/84/777331284.db2.gz UCEFTYZGRLYWBK-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC[C@@H](C)F)C1 ZINC001104809663 778191762 /nfs/dbraw/zinc/19/17/62/778191762.db2.gz MTHZKUAWQVKKGC-BZUAXINKSA-N 1 3 315.477 2.151 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](C)CC)C1 ZINC001104938042 778265094 /nfs/dbraw/zinc/26/50/94/778265094.db2.gz NLOUPKAGRRTWFS-GVDBMIGSSA-N 1 3 311.514 2.449 20 0 DEADHO CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC[C@H]1C)C2 ZINC001112529662 778606301 /nfs/dbraw/zinc/60/63/01/778606301.db2.gz JOONWGROOBHHDM-RYRKJORJSA-N 1 3 307.482 2.099 20 0 DEADHO CCCCCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCC3)C[C@H]21 ZINC001114982021 778671803 /nfs/dbraw/zinc/67/18/03/778671803.db2.gz GRXVNICDOALYDB-DZFIZOCASA-N 1 3 321.509 2.345 20 0 DEADHO CCCCCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCC3)C[C@H]21 ZINC001114982021 778671808 /nfs/dbraw/zinc/67/18/08/778671808.db2.gz GRXVNICDOALYDB-DZFIZOCASA-N 1 3 321.509 2.345 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC1(C[NH2+]CCCCCF)CC1 ZINC001167900837 778763439 /nfs/dbraw/zinc/76/34/39/778763439.db2.gz MUPLRZNGWOCQCU-UHFFFAOYSA-N 1 3 324.444 2.277 20 0 DEADHO CC/C=C\CC[NH2+]CC1(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001167901329 778766578 /nfs/dbraw/zinc/76/65/78/778766578.db2.gz SSHSILDGRLIOPF-PLNGDYQASA-N 1 3 318.465 2.493 20 0 DEADHO CC(C)C[N@@H+]1CCC2(CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC001073454514 790665657 /nfs/dbraw/zinc/66/56/57/790665657.db2.gz NUQBRZXHGOFFFX-HOTGVXAUSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)C[N@H+]1CCC2(CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC001073454514 790665660 /nfs/dbraw/zinc/66/56/60/790665660.db2.gz NUQBRZXHGOFFFX-HOTGVXAUSA-N 1 3 307.482 2.050 20 0 DEADHO CN(C)C(=O)[C@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167996112 779220929 /nfs/dbraw/zinc/22/09/29/779220929.db2.gz WTOGIHAPCIJYNO-XNHLSEOASA-N 1 3 319.493 2.192 20 0 DEADHO CN(C)C(=O)[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167996112 779220934 /nfs/dbraw/zinc/22/09/34/779220934.db2.gz WTOGIHAPCIJYNO-XNHLSEOASA-N 1 3 319.493 2.192 20 0 DEADHO COC(=O)[C@@]1(C)CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168002807 779253245 /nfs/dbraw/zinc/25/32/45/779253245.db2.gz YOWZDDRLPPKKNV-ONYGOOLBSA-N 1 3 306.450 2.277 20 0 DEADHO COC(=O)[C@@]1(C)CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168002807 779253252 /nfs/dbraw/zinc/25/32/52/779253252.db2.gz YOWZDDRLPPKKNV-ONYGOOLBSA-N 1 3 306.450 2.277 20 0 DEADHO COC(=O)[C@@]1(C)CC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001168002807 779253258 /nfs/dbraw/zinc/25/32/58/779253258.db2.gz YOWZDDRLPPKKNV-ONYGOOLBSA-N 1 3 306.450 2.277 20 0 DEADHO COC(=O)[C@@]1(C)CC[N@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001168002807 779253260 /nfs/dbraw/zinc/25/32/60/779253260.db2.gz YOWZDDRLPPKKNV-ONYGOOLBSA-N 1 3 306.450 2.277 20 0 DEADHO CCCC[N@@H+]1CC[C@H](NC(=O)C23CCCN2CCC3)[C@H]1CC ZINC001087640730 779393690 /nfs/dbraw/zinc/39/36/90/779393690.db2.gz UBXIGKCESMAVKO-JKSUJKDBSA-N 1 3 307.482 2.384 20 0 DEADHO CCCC[N@H+]1CC[C@H](NC(=O)C23CCCN2CCC3)[C@H]1CC ZINC001087640730 779393696 /nfs/dbraw/zinc/39/36/96/779393696.db2.gz UBXIGKCESMAVKO-JKSUJKDBSA-N 1 3 307.482 2.384 20 0 DEADHO CCC(CC)C[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001204798373 779890143 /nfs/dbraw/zinc/89/01/43/779890143.db2.gz IBTJVBPPVBOBAI-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CC2CC2)C1)C1CC1 ZINC001088327585 779960327 /nfs/dbraw/zinc/96/03/27/779960327.db2.gz QZXKDJZDJQFXLH-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3ccccn3)CC2)CCO1 ZINC001168091953 779999373 /nfs/dbraw/zinc/99/93/73/779999373.db2.gz CURLZNVJLFYWBC-NVXWUHKLSA-N 1 3 303.450 2.451 20 0 DEADHO CCN(C(C)=O)C1CC[NH+](C2CCN(CC3CC3)CC2)CC1 ZINC001168394997 781787891 /nfs/dbraw/zinc/78/78/91/781787891.db2.gz JSBRBTUYVCQWFQ-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1CCC1CC1 ZINC001085628845 783905556 /nfs/dbraw/zinc/90/55/56/783905556.db2.gz GNXLNKCRPHBKNS-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1CCC1CC1 ZINC001085628845 783905559 /nfs/dbraw/zinc/90/55/59/783905559.db2.gz GNXLNKCRPHBKNS-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1CC1 ZINC001085628845 783905564 /nfs/dbraw/zinc/90/55/64/783905564.db2.gz GNXLNKCRPHBKNS-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1CC1 ZINC001085628845 783905566 /nfs/dbraw/zinc/90/55/66/783905566.db2.gz GNXLNKCRPHBKNS-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1CC[N@H+](CCCF)C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000967708436 784098464 /nfs/dbraw/zinc/09/84/64/784098464.db2.gz SDUCMLYWMUAPCO-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H]1CC[N@@H+](CCCF)C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000967708436 784098470 /nfs/dbraw/zinc/09/84/70/784098470.db2.gz SDUCMLYWMUAPCO-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CC1 ZINC001085987112 784284323 /nfs/dbraw/zinc/28/43/23/784284323.db2.gz UTJFUPHHLYDKTQ-QGZVFWFLSA-N 1 3 315.461 2.305 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CC1 ZINC001085987112 784284329 /nfs/dbraw/zinc/28/43/29/784284329.db2.gz UTJFUPHHLYDKTQ-QGZVFWFLSA-N 1 3 315.461 2.305 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC2)C1 ZINC001086217056 784497288 /nfs/dbraw/zinc/49/72/88/784497288.db2.gz LQKLLDWDJNDFCS-BBWFWOEESA-N 1 3 307.482 2.144 20 0 DEADHO C[N@H+](CC1CCC1)C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001074073128 791040730 /nfs/dbraw/zinc/04/07/30/791040730.db2.gz LCJDEBXSWGQPCJ-MRXNPFEDSA-N 1 3 304.438 2.065 20 0 DEADHO C[N@@H+](CC1CCC1)C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001074073128 791040740 /nfs/dbraw/zinc/04/07/40/791040740.db2.gz LCJDEBXSWGQPCJ-MRXNPFEDSA-N 1 3 304.438 2.065 20 0 DEADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cs1 ZINC000968907198 784645682 /nfs/dbraw/zinc/64/56/82/784645682.db2.gz FSKPOFKIGLUFOL-OAHLLOKOSA-N 1 3 321.490 2.231 20 0 DEADHO CCc1cccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)C2)c1 ZINC000969074463 784715567 /nfs/dbraw/zinc/71/55/67/784715567.db2.gz FGAMTOFGDQZBGR-QZTJIDSGSA-N 1 3 317.477 2.280 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C1)N(C)C ZINC000969077251 784716293 /nfs/dbraw/zinc/71/62/93/784716293.db2.gz NAJTXMVHESASSO-IAGOWNOFSA-N 1 3 307.482 2.408 20 0 DEADHO C[C@@H]1C[C@@H](NCC[C@@H]2CCC[N@@H+]2C)CN1C(=O)OC(C)(C)C ZINC001168818249 784927143 /nfs/dbraw/zinc/92/71/43/784927143.db2.gz RJGNCYBIBNKHLY-KFWWJZLASA-N 1 3 311.470 2.458 20 0 DEADHO C[C@@H]1C[C@@H](NCC[C@@H]2CCC[N@H+]2C)CN1C(=O)OC(C)(C)C ZINC001168818249 784927149 /nfs/dbraw/zinc/92/71/49/784927149.db2.gz RJGNCYBIBNKHLY-KFWWJZLASA-N 1 3 311.470 2.458 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCN2C)CN1C(=O)OC(C)(C)C ZINC001168818249 784927156 /nfs/dbraw/zinc/92/71/56/784927156.db2.gz RJGNCYBIBNKHLY-KFWWJZLASA-N 1 3 311.470 2.458 20 0 DEADHO COc1cccc([C@H](CCO)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC001169094002 785030619 /nfs/dbraw/zinc/03/06/19/785030619.db2.gz JZRRZDVRJYDVMF-DFGXFYAUSA-N 1 3 304.434 2.334 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NCCC(=O)N1CCc3ccccc31)C2 ZINC001169100941 785034360 /nfs/dbraw/zinc/03/43/60/785034360.db2.gz MMSPEGNIDCKGSA-BJWYYQGGSA-N 1 3 313.445 2.181 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NCCC(=O)N1CCc3ccccc31)C2 ZINC001169100941 785034367 /nfs/dbraw/zinc/03/43/67/785034367.db2.gz MMSPEGNIDCKGSA-BJWYYQGGSA-N 1 3 313.445 2.181 20 0 DEADHO C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169081716 785036771 /nfs/dbraw/zinc/03/67/71/785036771.db2.gz VIBCMWPIYDTIBP-GVRJEKJASA-N 1 3 323.481 2.457 20 0 DEADHO C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169081716 785036779 /nfs/dbraw/zinc/03/67/79/785036779.db2.gz VIBCMWPIYDTIBP-GVRJEKJASA-N 1 3 323.481 2.457 20 0 DEADHO CCO[C@@H]1CO[C@@]2(C1)CCCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169134249 785051202 /nfs/dbraw/zinc/05/12/02/785051202.db2.gz RQKHUGVUKFVILK-FLXSYLCISA-N 1 3 308.466 2.272 20 0 DEADHO CCO[C@@H]1CO[C@@]2(C1)CCCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169134249 785051208 /nfs/dbraw/zinc/05/12/08/785051208.db2.gz RQKHUGVUKFVILK-FLXSYLCISA-N 1 3 308.466 2.272 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1nc(C(F)(F)F)c3c1CNCC3)C2 ZINC001169155336 785071783 /nfs/dbraw/zinc/07/17/83/785071783.db2.gz NGSQMBXYALRMQS-JGPRNRPPSA-N 1 3 314.355 2.345 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1nc(C(F)(F)F)c3c1CNCC3)C2 ZINC001169155336 785071792 /nfs/dbraw/zinc/07/17/92/785071792.db2.gz NGSQMBXYALRMQS-JGPRNRPPSA-N 1 3 314.355 2.345 20 0 DEADHO CC[NH+]1CCC(N[C@H]2CCC(=O)N[C@H]2c2ccccc2)CC1 ZINC001169232873 785098094 /nfs/dbraw/zinc/09/80/94/785098094.db2.gz GOYKPCFUUGDQEL-WMZOPIPTSA-N 1 3 301.434 2.080 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CCCN(CCCF)C1)[NH+]1CCCCCC1 ZINC001008749460 785294093 /nfs/dbraw/zinc/29/40/93/785294093.db2.gz SONFOLUIPZQJOC-HZPDHXFCSA-N 1 3 313.461 2.191 20 0 DEADHO CCCN1C[C@@H]2C[N@H+]([C@@H]3CCCN(C(=O)OCC)CC3)C[C@@H]2C1 ZINC001169702325 785313856 /nfs/dbraw/zinc/31/38/56/785313856.db2.gz BPEAQZJDGCKPHY-IXDOHACOSA-N 1 3 323.481 2.271 20 0 DEADHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3CCCN(C(=O)OCC)CC3)C[C@@H]2C1 ZINC001169702325 785313862 /nfs/dbraw/zinc/31/38/62/785313862.db2.gz BPEAQZJDGCKPHY-IXDOHACOSA-N 1 3 323.481 2.271 20 0 DEADHO CN(C)C1(C(=O)NCC[NH2+]Cc2ccc(C3CC3)cc2)CCC1 ZINC001129358874 785499815 /nfs/dbraw/zinc/49/98/15/785499815.db2.gz WZJQHIKSMTZGLM-UHFFFAOYSA-N 1 3 315.461 2.254 20 0 DEADHO C[C@@H]1CCC[C@@H](CC[NH2+]CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001129364608 785542292 /nfs/dbraw/zinc/54/22/92/785542292.db2.gz YJPGBQVTGSZKBH-CVEARBPZSA-N 1 3 309.498 2.393 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CC1 ZINC001109463935 785888437 /nfs/dbraw/zinc/88/84/37/785888437.db2.gz DOZYERXKPJTFFY-PMPSAXMXSA-N 1 3 307.482 2.238 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1 ZINC001109463935 785888447 /nfs/dbraw/zinc/88/84/47/785888447.db2.gz DOZYERXKPJTFFY-PMPSAXMXSA-N 1 3 307.482 2.238 20 0 DEADHO Cc1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673287 785983937 /nfs/dbraw/zinc/98/39/37/785983937.db2.gz HJBAHCXSNJXWGF-SQNIBIBYSA-N 1 3 315.461 2.168 20 0 DEADHO CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(CC)CC)C2 ZINC001112548852 786157122 /nfs/dbraw/zinc/15/71/22/786157122.db2.gz VTNBIKNSJFNILV-WMZOPIPTSA-N 1 3 309.498 2.347 20 0 DEADHO CC(C)C[C@H](C)CN1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001112865029 786262075 /nfs/dbraw/zinc/26/20/75/786262075.db2.gz PLAABKUFJYUBDI-GVDBMIGSSA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)C[C@H](C)CN1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001112865029 786262078 /nfs/dbraw/zinc/26/20/78/786262078.db2.gz PLAABKUFJYUBDI-GVDBMIGSSA-N 1 3 309.498 2.153 20 0 DEADHO CC[C@@H](C)CN1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001113049026 786382129 /nfs/dbraw/zinc/38/21/29/786382129.db2.gz AQELLQURYJKLFN-MRXNPFEDSA-N 1 3 318.465 2.098 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001014405381 786573079 /nfs/dbraw/zinc/57/30/79/786573079.db2.gz GALRJSSMYPZJGQ-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001014405381 786573083 /nfs/dbraw/zinc/57/30/83/786573083.db2.gz GALRJSSMYPZJGQ-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO CN1CC(CNc2cc(C[NH+](C)C)ccc2Br)C1 ZINC001170258434 786878513 /nfs/dbraw/zinc/87/85/13/786878513.db2.gz KIGBJHUREOOKII-UHFFFAOYSA-N 1 3 312.255 2.484 20 0 DEADHO Cc1cc(Cl)ccc1C[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129526631 787222074 /nfs/dbraw/zinc/22/20/74/787222074.db2.gz MUQGFFDWFYTPMY-UHFFFAOYSA-N 1 3 323.868 2.339 20 0 DEADHO Cc1cccc(CCC[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001129947323 787265178 /nfs/dbraw/zinc/26/51/78/787265178.db2.gz UXPUEQDBASAQOG-SFHVURJKSA-N 1 3 319.493 2.220 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCCC[C@](C)(F)C1 ZINC001157915357 787291727 /nfs/dbraw/zinc/29/17/27/787291727.db2.gz SLKWVMGGVIUNAT-HOCLYGCPSA-N 1 3 301.450 2.223 20 0 DEADHO Cc1cc(CNCCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)cs1 ZINC001130189745 787310831 /nfs/dbraw/zinc/31/08/31/787310831.db2.gz RQKTXSOCKGJCAB-HOTGVXAUSA-N 1 3 321.490 2.279 20 0 DEADHO Cc1cc(CNCCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)cs1 ZINC001130189745 787310841 /nfs/dbraw/zinc/31/08/41/787310841.db2.gz RQKTXSOCKGJCAB-HOTGVXAUSA-N 1 3 321.490 2.279 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001130425402 787386570 /nfs/dbraw/zinc/38/65/70/787386570.db2.gz XTOCRUOPCKSDRY-ZDUSSCGKSA-N 1 3 319.440 2.248 20 0 DEADHO C[C@H](Nc1cccc(N2CCCC[C@H]2C)n1)[C@@H]1C[NH2+]CCO1 ZINC001170570351 787650204 /nfs/dbraw/zinc/65/02/04/787650204.db2.gz MYLDTEUONKFDAW-ILXRZTDVSA-N 1 3 304.438 2.249 20 0 DEADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001097079546 787970547 /nfs/dbraw/zinc/97/05/47/787970547.db2.gz LFYODMARFSSYBF-XDNAFOTISA-N 1 3 317.477 2.016 20 0 DEADHO CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C ZINC001133135920 788291695 /nfs/dbraw/zinc/29/16/95/788291695.db2.gz ZCUZPTHOOICHCW-XETQRACLSA-N 1 3 318.465 2.383 20 0 DEADHO Cc1cc(C)c(CN2CCN(CC3CC[NH+](C)CC3)CC2)[nH]1 ZINC001137332478 788306434 /nfs/dbraw/zinc/30/64/34/788306434.db2.gz WAJXQWCPSBOCOV-UHFFFAOYSA-N 1 3 304.482 2.091 20 0 DEADHO CC(C)CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C ZINC001133346606 788375031 /nfs/dbraw/zinc/37/50/31/788375031.db2.gz NGXFKYHJKSFOQM-DLBZAZTESA-N 1 3 311.514 2.447 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC2)C1 ZINC001086712242 788616821 /nfs/dbraw/zinc/61/68/21/788616821.db2.gz WSWLUJPLNTXFGL-GVDBMIGSSA-N 1 3 307.482 2.145 20 0 DEADHO Cc1cccc(CCC[NH2+]CCNC(=O)CN2CCC[C@H]2C)c1 ZINC001133819891 788618456 /nfs/dbraw/zinc/61/84/56/788618456.db2.gz QMNNJMCYCAGTIS-QGZVFWFLSA-N 1 3 317.477 2.118 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]CC1CCC2(CC2)CC1 ZINC001133823293 788620160 /nfs/dbraw/zinc/62/01/60/788620160.db2.gz AWFUVRQFLZHTSM-OAHLLOKOSA-N 1 3 307.482 2.147 20 0 DEADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCNCc1cc2ccccc2o1 ZINC001133834058 788628655 /nfs/dbraw/zinc/62/86/55/788628655.db2.gz MTYNCXUDZBVZAS-AWEZNQCLSA-N 1 3 315.417 2.123 20 0 DEADHO C[C@H]1CCC[N@H+]1CC(=O)NCCNCc1cc2ccccc2o1 ZINC001133834058 788628660 /nfs/dbraw/zinc/62/86/60/788628660.db2.gz MTYNCXUDZBVZAS-AWEZNQCLSA-N 1 3 315.417 2.123 20 0 DEADHO CCCc1ccc(C[NH2+]CCNC(=O)[C@H](CC)N(C)C)cc1 ZINC001133963106 788693590 /nfs/dbraw/zinc/69/35/90/788693590.db2.gz PJUILISZRZGKRC-KRWDZBQOSA-N 1 3 305.466 2.185 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+]CC1CC(F)(F)C1 ZINC001134766007 789069882 /nfs/dbraw/zinc/06/98/82/789069882.db2.gz CJQVTDDYMNEYSN-AWEZNQCLSA-N 1 3 317.424 2.000 20 0 DEADHO CCOCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)N(C)CC ZINC001134772461 789072697 /nfs/dbraw/zinc/07/26/97/789072697.db2.gz DOECKHJWNUKJRZ-CABCVRRESA-N 1 3 315.502 2.016 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]C/C=C/Cl ZINC001134772811 789072949 /nfs/dbraw/zinc/07/29/49/789072949.db2.gz HVGPAONIPALGQW-RYYBZQDPSA-N 1 3 303.878 2.342 20 0 DEADHO CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1ocnc1C ZINC001134772871 789074194 /nfs/dbraw/zinc/07/41/94/789074194.db2.gz ILVZIECOJLENCW-QWHCGFSZSA-N 1 3 324.469 2.086 20 0 DEADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1ocnc1C ZINC001134772871 789074203 /nfs/dbraw/zinc/07/42/03/789074203.db2.gz ILVZIECOJLENCW-QWHCGFSZSA-N 1 3 324.469 2.086 20 0 DEADHO CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1cc(C)no1 ZINC001134773761 789075833 /nfs/dbraw/zinc/07/58/33/789075833.db2.gz RLPXAAKVLGQXLL-CHWSQXEVSA-N 1 3 324.469 2.086 20 0 DEADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1cc(C)no1 ZINC001134773761 789075837 /nfs/dbraw/zinc/07/58/37/789075837.db2.gz RLPXAAKVLGQXLL-CHWSQXEVSA-N 1 3 324.469 2.086 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC001135511617 789380916 /nfs/dbraw/zinc/38/09/16/789380916.db2.gz VVVMPUVIIDZNHD-MRXNPFEDSA-N 1 3 323.868 2.375 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+]Cc1cccc(C(F)F)c1 ZINC001135511664 789381001 /nfs/dbraw/zinc/38/10/01/789381001.db2.gz XXSAMLQACIASTI-UHFFFAOYSA-N 1 3 313.392 2.172 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1 ZINC001135743058 789475789 /nfs/dbraw/zinc/47/57/89/789475789.db2.gz DICNDVPFTJNSRS-JKSUJKDBSA-N 1 3 305.466 2.401 20 0 DEADHO Cc1cc(CN[C@@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C)on1 ZINC001135960867 789580320 /nfs/dbraw/zinc/58/03/20/789580320.db2.gz IUMTXMSNNFCVEL-KBPBESRZSA-N 1 3 324.469 2.088 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1cc(C)no1 ZINC001135973726 789584610 /nfs/dbraw/zinc/58/46/10/789584610.db2.gz COGUSNBONUCOSF-ZIAGYGMSSA-N 1 3 324.469 2.088 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1cc(C)no1 ZINC001135973726 789584615 /nfs/dbraw/zinc/58/46/15/789584615.db2.gz COGUSNBONUCOSF-ZIAGYGMSSA-N 1 3 324.469 2.088 20 0 DEADHO Cc1ncoc1CN[C@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001135974938 789585927 /nfs/dbraw/zinc/58/59/27/789585927.db2.gz YBOKWMUAUMTWMG-ZIAGYGMSSA-N 1 3 324.469 2.088 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1ocnc1C ZINC001135995341 789589516 /nfs/dbraw/zinc/58/95/16/789589516.db2.gz CXKVGKXGGWGPFN-ZIAGYGMSSA-N 1 3 324.469 2.088 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1ocnc1C ZINC001135995341 789589524 /nfs/dbraw/zinc/58/95/24/789589524.db2.gz CXKVGKXGGWGPFN-ZIAGYGMSSA-N 1 3 324.469 2.088 20 0 DEADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H](N)CC1CC1 ZINC000398126976 790248695 /nfs/dbraw/zinc/24/86/95/790248695.db2.gz IIZDUAIAWSFQAO-JLSDUUJJSA-N 1 3 315.461 2.141 20 0 DEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H](N)CC1CC1 ZINC000398126976 790248698 /nfs/dbraw/zinc/24/86/98/790248698.db2.gz IIZDUAIAWSFQAO-JLSDUUJJSA-N 1 3 315.461 2.141 20 0 DEADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](N)CC1CC1 ZINC000398126974 790248911 /nfs/dbraw/zinc/24/89/11/790248911.db2.gz IIZDUAIAWSFQAO-FHLIZLRMSA-N 1 3 315.461 2.141 20 0 DEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](N)CC1CC1 ZINC000398126974 790248914 /nfs/dbraw/zinc/24/89/14/790248914.db2.gz IIZDUAIAWSFQAO-FHLIZLRMSA-N 1 3 315.461 2.141 20 0 DEADHO C[C@@H](C[C@H](C)[NH2+]CCF)NC(=O)c1cccc(CN(C)C)c1 ZINC001146585047 791309980 /nfs/dbraw/zinc/30/99/80/791309980.db2.gz WLNYXTYESQXIHS-KBPBESRZSA-N 1 3 309.429 2.204 20 0 DEADHO Cc1cncc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001146590865 791318369 /nfs/dbraw/zinc/31/83/69/791318369.db2.gz CMPIOHNHBLZYDW-HZPDHXFCSA-N 1 3 320.481 2.103 20 0 DEADHO CCCCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146600832 791321362 /nfs/dbraw/zinc/32/13/62/791321362.db2.gz IORXXTJEWAPPIU-HZPDHXFCSA-N 1 3 315.502 2.016 20 0 DEADHO CCC[NH+](CCC)CCCC(=O)NCCNC[C@H](F)CC ZINC001147449279 791549153 /nfs/dbraw/zinc/54/91/53/791549153.db2.gz MFCDHCWZMJNHHF-OAHLLOKOSA-N 1 3 303.466 2.343 20 0 DEADHO CC/C=C/CC[N@@H+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001147724620 791605710 /nfs/dbraw/zinc/60/57/10/791605710.db2.gz KYUXZNKZWLHHCZ-AATRIKPKSA-N 1 3 319.493 2.361 20 0 DEADHO CC/C=C/CC[N@H+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001147724620 791605711 /nfs/dbraw/zinc/60/57/11/791605711.db2.gz KYUXZNKZWLHHCZ-AATRIKPKSA-N 1 3 319.493 2.361 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCC2(CN(C(=O)C(C)(C)N(C)CC)C2)C1 ZINC001147819466 791630274 /nfs/dbraw/zinc/63/02/74/791630274.db2.gz FDWWIJLFYFNFLY-HNNXBMFYSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C)C[N@H+]1CCC2(CN(C(=O)C(C)(C)N(C)CC)C2)C1 ZINC001147819466 791630281 /nfs/dbraw/zinc/63/02/81/791630281.db2.gz FDWWIJLFYFNFLY-HNNXBMFYSA-N 1 3 309.498 2.297 20 0 DEADHO CN(CC(=O)N1CC2(C1)CC[N@H+](CC1CCC1)C2)CC(C)(C)C ZINC001148315510 791736292 /nfs/dbraw/zinc/73/62/92/791736292.db2.gz MPFIZZOKSQUPMW-UHFFFAOYSA-N 1 3 321.509 2.299 20 0 DEADHO CN(CC(=O)N1CC2(C1)CC[N@@H+](CC1CCC1)C2)CC(C)(C)C ZINC001148315510 791736312 /nfs/dbraw/zinc/73/63/12/791736312.db2.gz MPFIZZOKSQUPMW-UHFFFAOYSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC001086907756 791844973 /nfs/dbraw/zinc/84/49/73/791844973.db2.gz ATNIEDLVRUIONF-IAGOWNOFSA-N 1 3 321.509 2.440 20 0 DEADHO CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001086942560 791857754 /nfs/dbraw/zinc/85/77/54/791857754.db2.gz VIZJIKANPMFKOL-HZPDHXFCSA-N 1 3 307.482 2.194 20 0 DEADHO CC[C@H](C(=O)N1CC2(C[C@H]1C)CC[NH+](CC1CC1)CC2)N(C)C ZINC001086928956 791859468 /nfs/dbraw/zinc/85/94/68/791859468.db2.gz SQQUMQJLHLDZHF-NVXWUHKLSA-N 1 3 321.509 2.440 20 0 DEADHO CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C1CC1)N1CCCC1 ZINC001099154266 792118608 /nfs/dbraw/zinc/11/86/08/792118608.db2.gz VPNRXWBOMKSCHE-IRXDYDNUSA-N 1 3 321.509 2.488 20 0 DEADHO CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C1CC1)N1CCCC1 ZINC001099154266 792118614 /nfs/dbraw/zinc/11/86/14/792118614.db2.gz VPNRXWBOMKSCHE-IRXDYDNUSA-N 1 3 321.509 2.488 20 0 DEADHO CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN(C)CCC)C1 ZINC001099554427 792240173 /nfs/dbraw/zinc/24/01/73/792240173.db2.gz YNGJXRRFKVMYNR-XSLAGTTESA-N 1 3 321.509 2.297 20 0 DEADHO CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN(C)CCC)C1 ZINC001099554427 792240179 /nfs/dbraw/zinc/24/01/79/792240179.db2.gz YNGJXRRFKVMYNR-XSLAGTTESA-N 1 3 321.509 2.297 20 0 DEADHO CN(C)C1(C(=O)NCC2CC([NH2+]CCC(C)(C)C)C2)CCC1 ZINC001100405545 792632518 /nfs/dbraw/zinc/63/25/18/792632518.db2.gz AMIINMBXHVLELH-UHFFFAOYSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)=CC[NH2+]C1CC(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001100562562 792722363 /nfs/dbraw/zinc/72/23/63/792722363.db2.gz RFYSTIKVQSDMEZ-UHFFFAOYSA-N 1 3 307.482 2.311 20 0 DEADHO CCCCCC[NH2+]C1CC(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001100678512 792784305 /nfs/dbraw/zinc/78/43/05/792784305.db2.gz NJXUTBAEHPAHHP-GTPINHCMSA-N 1 3 309.498 2.393 20 0 DEADHO CCCN(C)CC(=O)NCC1CC([NH2+]CCC2CCCC2)C1 ZINC001100904685 792910826 /nfs/dbraw/zinc/91/08/26/792910826.db2.gz BMMMZLABFXCVLF-UHFFFAOYSA-N 1 3 309.498 2.393 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1cccc(C(C)C)n1 ZINC001171757970 793197595 /nfs/dbraw/zinc/19/75/95/793197595.db2.gz RGYMIVABOXKDIY-UHFFFAOYSA-N 1 3 320.481 2.143 20 0 DEADHO CN(C)C(=O)CCN[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171964734 793261126 /nfs/dbraw/zinc/26/11/26/793261126.db2.gz HJDOGIYLAFIFLF-QGZVFWFLSA-N 1 3 317.477 2.498 20 0 DEADHO CN(C)C(=O)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171964734 793261135 /nfs/dbraw/zinc/26/11/35/793261135.db2.gz HJDOGIYLAFIFLF-QGZVFWFLSA-N 1 3 317.477 2.498 20 0 DEADHO Cc1ccnc(O[C@@H]2CCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)n1 ZINC001172132673 793322502 /nfs/dbraw/zinc/32/25/02/793322502.db2.gz MMSXVAXRAHXEHS-YYIAUSFCSA-N 1 3 316.449 2.253 20 0 DEADHO Cc1ccnc(O[C@@H]2CCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)n1 ZINC001172132673 793322511 /nfs/dbraw/zinc/32/25/11/793322511.db2.gz MMSXVAXRAHXEHS-YYIAUSFCSA-N 1 3 316.449 2.253 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCC(=O)NCc1ccccc1)C2 ZINC001172106164 793329187 /nfs/dbraw/zinc/32/91/87/793329187.db2.gz MZAFORHKZAGCKY-NNZMDNLPSA-N 1 3 315.461 2.298 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCC(=O)NCc1ccccc1)C2 ZINC001172106164 793329197 /nfs/dbraw/zinc/32/91/97/793329197.db2.gz MZAFORHKZAGCKY-NNZMDNLPSA-N 1 3 315.461 2.298 20 0 DEADHO CC(C)[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)N1CCCC1 ZINC001172109230 793330439 /nfs/dbraw/zinc/33/04/39/793330439.db2.gz INYOIUZOELPHNR-YVSFHVDLSA-N 1 3 307.482 2.238 20 0 DEADHO CC(C)[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)N1CCCC1 ZINC001172109230 793330447 /nfs/dbraw/zinc/33/04/47/793330447.db2.gz INYOIUZOELPHNR-YVSFHVDLSA-N 1 3 307.482 2.238 20 0 DEADHO CCOCC[C@H](C)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001172426697 793418999 /nfs/dbraw/zinc/41/89/99/793418999.db2.gz PQYZWEROENSCMA-QXAKKESOSA-N 1 3 324.509 2.482 20 0 DEADHO CCOCC[C@H](C)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001172426697 793419003 /nfs/dbraw/zinc/41/90/03/793419003.db2.gz PQYZWEROENSCMA-QXAKKESOSA-N 1 3 324.509 2.482 20 0 DEADHO CC[C@@H](CC(C)C)[N@@H+]1CCCn2c(=O)cc(CN(C)C)nc2C1 ZINC001172399967 793424801 /nfs/dbraw/zinc/42/48/01/793424801.db2.gz UGDOKKNLRQVUSJ-INIZCTEOSA-N 1 3 320.481 2.335 20 0 DEADHO CC[C@@H](CC(C)C)[N@H+]1CCCn2c(=O)cc(CN(C)C)nc2C1 ZINC001172399967 793424804 /nfs/dbraw/zinc/42/48/04/793424804.db2.gz UGDOKKNLRQVUSJ-INIZCTEOSA-N 1 3 320.481 2.335 20 0 DEADHO Cc1nccn1-c1ccccc1CN1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206172949 793474539 /nfs/dbraw/zinc/47/45/39/793474539.db2.gz DBJYLHAAIWPGNF-JKSUJKDBSA-N 1 3 302.397 2.442 20 0 DEADHO CC[NH+](CC)C1CCC(N2CC(N(C)[C@@H]3CCOC3)C2)CC1 ZINC001173115220 793582518 /nfs/dbraw/zinc/58/25/18/793582518.db2.gz ZLZMDTLESNYJJI-OFLPRAFFSA-N 1 3 309.498 2.044 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](CCC(C)(C)C)C[C@H]2C)C1 ZINC001102369945 793589772 /nfs/dbraw/zinc/58/97/72/793589772.db2.gz LQVHIMHZIAHJMC-BRWVUGGUSA-N 1 3 323.525 2.449 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@H]2C)C1 ZINC001102369945 793589777 /nfs/dbraw/zinc/58/97/77/793589777.db2.gz LQVHIMHZIAHJMC-BRWVUGGUSA-N 1 3 323.525 2.449 20 0 DEADHO COc1cccc2c1C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)CO2 ZINC001173163105 793614244 /nfs/dbraw/zinc/61/42/44/793614244.db2.gz KONLEGXKQSYRIK-ILXRZTDVSA-N 1 3 304.434 2.461 20 0 DEADHO COc1cccc2c1C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)CO2 ZINC001173163107 793614522 /nfs/dbraw/zinc/61/45/22/793614522.db2.gz KONLEGXKQSYRIK-KKUMJFAQSA-N 1 3 304.434 2.461 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@@H](CNC(=O)CN(C)CCC)[C@H](C)C1 ZINC001102525278 793641555 /nfs/dbraw/zinc/64/15/55/793641555.db2.gz USFXTEJRCGHCFP-NXVGNOFTSA-N 1 3 309.498 2.369 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)CN(C)CCC)[C@H](C)C1 ZINC001102525278 793641559 /nfs/dbraw/zinc/64/15/59/793641559.db2.gz USFXTEJRCGHCFP-NXVGNOFTSA-N 1 3 309.498 2.369 20 0 DEADHO CCSC[C@H](C)N[C@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001173293660 793661631 /nfs/dbraw/zinc/66/16/31/793661631.db2.gz GHHVWBBWRIJPRI-RYUDHWBXSA-N 1 3 305.488 2.307 20 0 DEADHO CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001103438519 794091258 /nfs/dbraw/zinc/09/12/58/794091258.db2.gz NSPUQQMSMIJWGF-HZPDHXFCSA-N 1 3 309.498 2.203 20 0 DEADHO CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001103438519 794091265 /nfs/dbraw/zinc/09/12/65/794091265.db2.gz NSPUQQMSMIJWGF-HZPDHXFCSA-N 1 3 309.498 2.203 20 0 DEADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](C[C@H](C)CC)C[C@H]1C ZINC001103663658 794181757 /nfs/dbraw/zinc/18/17/57/794181757.db2.gz MOANHJVMHMXTSY-BRWVUGGUSA-N 1 3 311.514 2.449 20 0 DEADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](C[C@H](C)CC)C[C@H]1C ZINC001103663658 794181760 /nfs/dbraw/zinc/18/17/60/794181760.db2.gz MOANHJVMHMXTSY-BRWVUGGUSA-N 1 3 311.514 2.449 20 0 DEADHO CN1CCC=C(Nc2c(F)cccc2N2CC[NH+](C)CC2)C1 ZINC001175582463 794235842 /nfs/dbraw/zinc/23/58/42/794235842.db2.gz CZQQIGHUJXVDPO-UHFFFAOYSA-N 1 3 304.413 2.209 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CCCCNCc1ocnc1C ZINC001176023843 794335269 /nfs/dbraw/zinc/33/52/69/794335269.db2.gz JZHJAQCRUCQBQH-AWEZNQCLSA-N 1 3 324.469 2.089 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCCNCc1ocnc1C ZINC001176023843 794335274 /nfs/dbraw/zinc/33/52/74/794335274.db2.gz JZHJAQCRUCQBQH-AWEZNQCLSA-N 1 3 324.469 2.089 20 0 DEADHO Cc1nocc1C[NH2+]CCCC[C@H](C)NC(=O)CN(C)C(C)C ZINC001176754130 794497618 /nfs/dbraw/zinc/49/76/18/794497618.db2.gz RJHFPPHPRWRTOX-AWEZNQCLSA-N 1 3 324.469 2.088 20 0 DEADHO CC(C)OCC[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C(C)C ZINC001176759313 794499406 /nfs/dbraw/zinc/49/94/06/794499406.db2.gz IOPUXBJHTTWHRB-MRXNPFEDSA-N 1 3 315.502 2.016 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@@H]1CCc2c1cccc2F ZINC001176987030 794548968 /nfs/dbraw/zinc/54/89/68/794548968.db2.gz ZRXJCIBSMDAXAE-QGZVFWFLSA-N 1 3 321.440 2.249 20 0 DEADHO CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C1CC1)N(C)C ZINC001177339829 794642380 /nfs/dbraw/zinc/64/23/80/794642380.db2.gz RFUUHDCNMDSSEO-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCCCC3)C[C@H]21 ZINC001115159043 794693219 /nfs/dbraw/zinc/69/32/19/794693219.db2.gz CEFUQOICELFMRA-DZFIZOCASA-N 1 3 321.509 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCCCC3)C[C@H]21 ZINC001115159043 794693226 /nfs/dbraw/zinc/69/32/26/794693226.db2.gz CEFUQOICELFMRA-DZFIZOCASA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)[C@@H]1CCCN1C ZINC001178360459 794908936 /nfs/dbraw/zinc/90/89/36/794908936.db2.gz NFSRVLSSXFDVSB-JYJNAYRXSA-N 1 3 309.498 2.486 20 0 DEADHO CN(C)C1(C(=O)NCCCCCC[NH2+]C/C=C\Cl)CCC1 ZINC001178693404 794977014 /nfs/dbraw/zinc/97/70/14/794977014.db2.gz PWHAJSCOWTUMRE-FLIBITNWSA-N 1 3 315.889 2.489 20 0 DEADHO C[C@@H](F)CC[NH2+]CCCCCCNC(=O)C1(N(C)C)CCC1 ZINC001178693419 794977420 /nfs/dbraw/zinc/97/74/20/794977420.db2.gz QFRFMXTXGGOMEP-OAHLLOKOSA-N 1 3 315.477 2.485 20 0 DEADHO CC[C@H](C(=O)NCCCCCC[NH2+]CCCCOC)N(C)C ZINC001178820223 795014473 /nfs/dbraw/zinc/01/44/73/795014473.db2.gz XAGWBEGTMKZHHN-MRXNPFEDSA-N 1 3 315.502 2.019 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCCCCF)[C@@H]1C)N(C)C ZINC001178990110 795044797 /nfs/dbraw/zinc/04/47/97/795044797.db2.gz HTJZZAYRFRJROZ-SOUVJXGZSA-N 1 3 301.450 2.045 20 0 DEADHO CCN(CC)CC(=O)NCCCCCC[NH2+]C/C=C/Cl ZINC001179851027 795188012 /nfs/dbraw/zinc/18/80/12/795188012.db2.gz RVPGXKTULOQTSW-MDZDMXLPSA-N 1 3 303.878 2.347 20 0 DEADHO CCCN(C)CC(=O)NCCCCCC[NH2+]C[C@@H](CC)OC ZINC001180123918 795245817 /nfs/dbraw/zinc/24/58/17/795245817.db2.gz NURXLILAWSURBK-MRXNPFEDSA-N 1 3 315.502 2.019 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCCCCF)[C@@H]1C ZINC001180226657 795259009 /nfs/dbraw/zinc/25/90/09/795259009.db2.gz FRNBITVFBVCSKL-GJZGRUSLSA-N 1 3 301.450 2.045 20 0 DEADHO CCN(CC)CC(=O)N(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001180391527 795288348 /nfs/dbraw/zinc/28/83/48/795288348.db2.gz XRGCLQMEYJUPDI-QAQDUYKDSA-N 1 3 318.465 2.022 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001182001630 795581194 /nfs/dbraw/zinc/58/11/94/795581194.db2.gz TXAOQAICVAIBPQ-INIZCTEOSA-N 1 3 307.482 2.371 20 0 DEADHO C[NH+](C)CCCOc1cccc(NC(=O)[C@]23C[C@H]2CCCN3)c1 ZINC001122005129 795715529 /nfs/dbraw/zinc/71/55/29/795715529.db2.gz VMDFVEIDYZEHFH-KDOFPFPSSA-N 1 3 317.433 2.098 20 0 DEADHO CC(C)[C@H](C(=O)N(CC[NH3+])C12CC3CC(CC(C3)C1)C2)N(C)C ZINC001183365798 795853344 /nfs/dbraw/zinc/85/33/44/795853344.db2.gz OVJGDBMUJMFCSG-YMVOSSCXSA-N 1 3 321.509 2.329 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@]1(C)CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001183517261 795879178 /nfs/dbraw/zinc/87/91/78/795879178.db2.gz XTIWSIFTUIUIHA-BFYDXBDKSA-N 1 3 315.477 2.149 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CCc2cccs2)C1 ZINC001183764498 795926522 /nfs/dbraw/zinc/92/65/22/795926522.db2.gz ARHPWLIQTBPVFW-CQSZACIVSA-N 1 3 323.506 2.211 20 0 DEADHO CC(C)[NH2+]C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001185171782 796202350 /nfs/dbraw/zinc/20/23/50/796202350.db2.gz YDZVTEAWRFOFNZ-HZPDHXFCSA-N 1 3 311.514 2.447 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1C[NH2+]CC1CC1 ZINC001185171483 796202459 /nfs/dbraw/zinc/20/24/59/796202459.db2.gz WLBCHPYNWXYAPW-WBVHZDCISA-N 1 3 323.525 2.449 20 0 DEADHO CC(C)CC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001185215634 796215353 /nfs/dbraw/zinc/21/53/53/796215353.db2.gz NALLFAIUVOKWKG-HUUCEWRRSA-N 1 3 306.454 2.073 20 0 DEADHO CCCc1ccc(CN2CCC(=O)N(CC[NH+](C)C)CC2)s1 ZINC001138528264 796230634 /nfs/dbraw/zinc/23/06/34/796230634.db2.gz RAIOVAIEUANPKH-UHFFFAOYSA-N 1 3 323.506 2.297 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CC=C(C)C)[C@H](C)C1 ZINC001185546208 796288566 /nfs/dbraw/zinc/28/85/66/796288566.db2.gz BEEDCFWNJHBADQ-IAGOWNOFSA-N 1 3 309.498 2.369 20 0 DEADHO CCCC[NH2+][C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001185659749 796301863 /nfs/dbraw/zinc/30/18/63/796301863.db2.gz QBQLRIMFWZJRBO-RHSMWYFYSA-N 1 3 313.461 2.190 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1)N(C)C ZINC001185715976 796309215 /nfs/dbraw/zinc/30/92/15/796309215.db2.gz MNLJNKASBVEPII-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001186489272 796407674 /nfs/dbraw/zinc/40/76/74/796407674.db2.gz ZAEHBHNRBBTQBY-OFLPRAFFSA-N 1 3 309.498 2.345 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001186488756 796407994 /nfs/dbraw/zinc/40/79/94/796407994.db2.gz UYVUTUDBFFXRFV-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO COC(=O)CC[N@H+](CCCN(C)C)Cc1ccc(OC)cc1C ZINC001140677874 796555477 /nfs/dbraw/zinc/55/54/77/796555477.db2.gz DZZRUXRKBKHKLK-UHFFFAOYSA-N 1 3 322.449 2.320 20 0 DEADHO COC(=O)CC[N@@H+](CCCN(C)C)Cc1ccc(OC)cc1C ZINC001140677874 796555480 /nfs/dbraw/zinc/55/54/80/796555480.db2.gz DZZRUXRKBKHKLK-UHFFFAOYSA-N 1 3 322.449 2.320 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[C@H]([NH2+]CC2CC2)C12CCC2 ZINC001203103645 796648829 /nfs/dbraw/zinc/64/88/29/796648829.db2.gz LYBPYMUZZQFERH-LSDHHAIUSA-N 1 3 307.482 2.144 20 0 DEADHO CC[C@@H](C)C[NH2+]CC1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001205461472 796869379 /nfs/dbraw/zinc/86/93/79/796869379.db2.gz KMTSEDZVQMGBPP-PBHICJAKSA-N 1 3 309.498 2.201 20 0 DEADHO CCOC(=O)COc1cccc(CN2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206639021 797013773 /nfs/dbraw/zinc/01/37/73/797013773.db2.gz APBRWSFNQZKYJH-INIZCTEOSA-N 1 3 320.433 2.189 20 0 DEADHO CC/C=C\CC[N@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190645051 797047179 /nfs/dbraw/zinc/04/71/79/797047179.db2.gz POZGIPFHXZMUPG-WLMCBFPDSA-N 1 3 307.482 2.360 20 0 DEADHO CC/C=C\CC[N@@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190645051 797047184 /nfs/dbraw/zinc/04/71/84/797047184.db2.gz POZGIPFHXZMUPG-WLMCBFPDSA-N 1 3 307.482 2.360 20 0 DEADHO CC/C=C\CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001192190301 797334258 /nfs/dbraw/zinc/33/42/58/797334258.db2.gz MHAWUEVZLIDPDC-LZDOZHLXSA-N 1 3 309.498 2.462 20 0 DEADHO CC/C=C\CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001192190301 797334264 /nfs/dbraw/zinc/33/42/64/797334264.db2.gz MHAWUEVZLIDPDC-LZDOZHLXSA-N 1 3 309.498 2.462 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CCCC3CCC3)C2)C1 ZINC001192355692 797372567 /nfs/dbraw/zinc/37/25/67/797372567.db2.gz SNEZNXOUJJQOQA-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CCCC3CCC3)C2)C1 ZINC001192355692 797372575 /nfs/dbraw/zinc/37/25/75/797372575.db2.gz SNEZNXOUJJQOQA-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO CCN(C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)CC[C@H](C)F ZINC001154069944 797456057 /nfs/dbraw/zinc/45/60/57/797456057.db2.gz PYRURMIVMZYOGV-UONOGXRCSA-N 1 3 303.466 2.291 20 0 DEADHO CCN(C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CC[C@H](C)F ZINC001154069944 797456060 /nfs/dbraw/zinc/45/60/60/797456060.db2.gz PYRURMIVMZYOGV-UONOGXRCSA-N 1 3 303.466 2.291 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2)C1 ZINC001192959895 797474737 /nfs/dbraw/zinc/47/47/37/797474737.db2.gz LOOKTIUWRQFVQT-GOSISDBHSA-N 1 3 317.477 2.370 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2)C1 ZINC001192959895 797474742 /nfs/dbraw/zinc/47/47/42/797474742.db2.gz LOOKTIUWRQFVQT-GOSISDBHSA-N 1 3 317.477 2.370 20 0 DEADHO C[C@H]1CCN(Cc2cn(C)nc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC001205638715 797595488 /nfs/dbraw/zinc/59/54/88/797595488.db2.gz RHHFPMPDUFZZRH-WDEREUQCSA-N 1 3 304.360 2.246 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)CCc2cccs2)C1 ZINC001193643390 797599666 /nfs/dbraw/zinc/59/96/66/797599666.db2.gz UMXKPXMWAFWJHO-OAHLLOKOSA-N 1 3 323.506 2.165 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCc2cccs2)C1 ZINC001193643390 797599667 /nfs/dbraw/zinc/59/96/67/797599667.db2.gz UMXKPXMWAFWJHO-OAHLLOKOSA-N 1 3 323.506 2.165 20 0 DEADHO CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203791068 797698851 /nfs/dbraw/zinc/69/88/51/797698851.db2.gz CEBXJNMKWJHNIN-HOTGVXAUSA-N 1 3 309.498 2.390 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CCC(C)C)C1 ZINC001194266675 797702645 /nfs/dbraw/zinc/70/26/45/797702645.db2.gz XZNZGJJFGJOTMR-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCC(C)C)C1 ZINC001194266675 797702648 /nfs/dbraw/zinc/70/26/48/797702648.db2.gz XZNZGJJFGJOTMR-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CCN(Cc1ccsc1)[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001156374110 797986346 /nfs/dbraw/zinc/98/63/46/797986346.db2.gz IUQVINOSHAKKSX-CABCVRRESA-N 1 3 323.506 2.417 20 0 DEADHO CCN(Cc1ccsc1)[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001156374110 797986350 /nfs/dbraw/zinc/98/63/50/797986350.db2.gz IUQVINOSHAKKSX-CABCVRRESA-N 1 3 323.506 2.417 20 0 DEADHO C[NH+](C)CCCC(=O)N1CCCN(CCc2cccs2)CC1 ZINC001196963717 798131903 /nfs/dbraw/zinc/13/19/03/798131903.db2.gz XWGVCJJMIRWSIY-UHFFFAOYSA-N 1 3 323.506 2.167 20 0 DEADHO N=C(NCCCC[NH3+])Nc1nc(Cl)nc2c(F)cccc12 ZINC001157096399 798143289 /nfs/dbraw/zinc/14/32/89/798143289.db2.gz JAYXWOAQKRHXLY-UHFFFAOYSA-N 1 3 310.764 2.097 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[N@H+](CCCCCF)CC2)C1 ZINC001197158415 798157576 /nfs/dbraw/zinc/15/75/76/798157576.db2.gz PFUZGGMQDDFGDK-INIZCTEOSA-N 1 3 313.461 2.002 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[N@@H+](CCCCCF)CC2)C1 ZINC001197158415 798157578 /nfs/dbraw/zinc/15/75/78/798157578.db2.gz PFUZGGMQDDFGDK-INIZCTEOSA-N 1 3 313.461 2.002 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C)cc1 ZINC001152445640 798322580 /nfs/dbraw/zinc/32/25/80/798322580.db2.gz LHVFEZUHIDBXFD-QGZVFWFLSA-N 1 3 303.450 2.075 20 0 DEADHO N[C@@H](CCCc1ccccc1)C(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158160989 798351961 /nfs/dbraw/zinc/35/19/61/798351961.db2.gz NNNQWVKSUNUSCA-PKOBYXMFSA-N 1 3 315.461 2.081 20 0 DEADHO CC1(C)C[C@@H](Nc2cc3c(nn2)CCNC3)C[C@](C)(C[NH3+])C1 ZINC001158263338 798370132 /nfs/dbraw/zinc/37/01/32/798370132.db2.gz BNYOGXDVQNXOBM-DYVFJYSZSA-N 1 3 303.454 2.078 20 0 DEADHO NCc1cc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)ncn1 ZINC001159652982 798592461 /nfs/dbraw/zinc/59/24/61/798592461.db2.gz BPDQGJOASOUQIA-KRWDZBQOSA-N 1 3 311.433 2.054 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)C2(N(C)C)CCC2)cc1C ZINC001159853365 798618927 /nfs/dbraw/zinc/61/89/27/798618927.db2.gz CMKYGPFCAGLQMC-UHFFFAOYSA-N 1 3 317.477 2.384 20 0 DEADHO C[C@H]([NH2+]CCCNC(=O)C1(N(C)C)CCC1)c1cccc(F)c1 ZINC001159860778 798619638 /nfs/dbraw/zinc/61/96/38/798619638.db2.gz FSBHEYOIOZWPQB-AWEZNQCLSA-N 1 3 321.440 2.467 20 0 DEADHO CC(C)C[N@H+]1CC=C(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001160360686 798679033 /nfs/dbraw/zinc/67/90/33/798679033.db2.gz UYWUIUJMTLHZTN-UHFFFAOYSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)C[N@@H+]1CC=C(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001160360686 798679037 /nfs/dbraw/zinc/67/90/37/798679037.db2.gz UYWUIUJMTLHZTN-UHFFFAOYSA-N 1 3 307.482 2.265 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CC[C@H](c2ccccc2F)C1 ZINC001160535446 798701953 /nfs/dbraw/zinc/70/19/53/798701953.db2.gz RTLZHLHRNQURLQ-YOEHRIQHSA-N 1 3 321.440 2.201 20 0 DEADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC[C@@H]1C1CCCCC1 ZINC001160828304 798747355 /nfs/dbraw/zinc/74/73/55/798747355.db2.gz YYMSHSJZIZSWSQ-DLBZAZTESA-N 1 3 319.493 2.432 20 0 DEADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC[C@@H]1C1CCCCC1 ZINC001160828304 798747357 /nfs/dbraw/zinc/74/73/57/798747357.db2.gz YYMSHSJZIZSWSQ-DLBZAZTESA-N 1 3 319.493 2.432 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+][C@@H](C)c1cccc(C)c1)N(C)C ZINC001160889069 798756327 /nfs/dbraw/zinc/75/63/27/798756327.db2.gz BCMAOIUJYOXLKJ-DOTOQJQBSA-N 1 3 305.466 2.492 20 0 DEADHO CC(C)=CCC[C@@H](C)C[N@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001201497723 798760514 /nfs/dbraw/zinc/76/05/14/798760514.db2.gz XIIKHOFMONYLKN-QGZVFWFLSA-N 1 3 309.498 2.465 20 0 DEADHO CC(C)=CCC[C@@H](C)C[N@@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001201497723 798760518 /nfs/dbraw/zinc/76/05/18/798760518.db2.gz XIIKHOFMONYLKN-QGZVFWFLSA-N 1 3 309.498 2.465 20 0 DEADHO CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@@](C)(N)Cc2ccc(F)cc2)C1 ZINC001161051418 798788217 /nfs/dbraw/zinc/78/82/17/798788217.db2.gz VJONJYBNUPWSHS-WMZOPIPTSA-N 1 3 321.440 2.027 20 0 DEADHO CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@](C)(N)Cc2ccc(F)cc2)C1 ZINC001161051418 798788223 /nfs/dbraw/zinc/78/82/23/798788223.db2.gz VJONJYBNUPWSHS-WMZOPIPTSA-N 1 3 321.440 2.027 20 0 DEADHO CCCCCC[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001201749789 798794522 /nfs/dbraw/zinc/79/45/22/798794522.db2.gz BJCOVIBUPYUNLJ-IKGGRYGDSA-N 1 3 305.470 2.253 20 0 DEADHO CCCCCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001201749789 798794526 /nfs/dbraw/zinc/79/45/26/798794526.db2.gz BJCOVIBUPYUNLJ-IKGGRYGDSA-N 1 3 305.470 2.253 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC2=CC[N@H+](CC3CCC3)CC2)C1 ZINC001161214088 798811985 /nfs/dbraw/zinc/81/19/85/798811985.db2.gz SOLQPFJVEFQXCR-MRXNPFEDSA-N 1 3 319.493 2.267 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC2=CC[N@@H+](CC3CCC3)CC2)C1 ZINC001161214088 798811988 /nfs/dbraw/zinc/81/19/88/798811988.db2.gz SOLQPFJVEFQXCR-MRXNPFEDSA-N 1 3 319.493 2.267 20 0 DEADHO CN(C)c1cccc(NC2(Cc3ccccn3)CC[NH2+]CC2)n1 ZINC001161491804 798869653 /nfs/dbraw/zinc/86/96/53/798869653.db2.gz QBNMGLRYKFVRPD-UHFFFAOYSA-N 1 3 311.433 2.319 20 0 DEADHO COc1cccc(CC2([NH3+])CCN(c3cccc(N)n3)CC2)c1 ZINC001162048202 799001938 /nfs/dbraw/zinc/00/19/38/799001938.db2.gz QUKJFWVJICVHDK-UHFFFAOYSA-N 1 3 312.417 2.213 20 0 DEADHO NCc1cc(N(CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)ncn1 ZINC001162186467 799029868 /nfs/dbraw/zinc/02/98/68/799029868.db2.gz OBTHXJNYIKDJHL-KOMQPUFPSA-N 1 3 303.454 2.202 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@H+](CC4CCCCC4)C[C@H]32)CCC1 ZINC001114407248 799090618 /nfs/dbraw/zinc/09/06/18/799090618.db2.gz UWRVPMTZPOVPNX-FVQHAEBGSA-N 1 3 319.493 2.097 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC4CCCCC4)C[C@H]32)CCC1 ZINC001114407248 799090625 /nfs/dbraw/zinc/09/06/25/799090625.db2.gz UWRVPMTZPOVPNX-FVQHAEBGSA-N 1 3 319.493 2.097 20 0 DEADHO CCC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC001114411708 799093976 /nfs/dbraw/zinc/09/39/76/799093976.db2.gz JNCXWXWULBRKTD-CFMLYZNSSA-N 1 3 319.493 2.264 20 0 DEADHO CCC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC001114411708 799093985 /nfs/dbraw/zinc/09/39/85/799093985.db2.gz JNCXWXWULBRKTD-CFMLYZNSSA-N 1 3 319.493 2.264 20 0 DEADHO CC[C@@H](F)C[NH2+]C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001202540391 799165656 /nfs/dbraw/zinc/16/56/56/799165656.db2.gz XJJBSIRRBMAIGE-CQSZACIVSA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@H](C(=O)N(CC[NH2+]C(C)C)CCc1ccccc1)N(C)C ZINC001162841157 799186351 /nfs/dbraw/zinc/18/63/51/799186351.db2.gz OEEUJZLSMUMZDH-GOSISDBHSA-N 1 3 319.493 2.396 20 0 DEADHO CCN(CC)CCNC(=[NH2+])Nc1ncnc2ccc(C)cc21 ZINC001163122387 799251831 /nfs/dbraw/zinc/25/18/31/799251831.db2.gz ITSRLSQCFBYTOJ-UHFFFAOYSA-N 1 3 300.410 2.216 20 0 DEADHO CCN(CC)CCNC(=[NH2+])Nc1ccc2ncc(F)cc2n1 ZINC001163128210 799253121 /nfs/dbraw/zinc/25/31/21/799253121.db2.gz FDAABLGDVZPXGC-UHFFFAOYSA-N 1 3 304.373 2.047 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)CC[NH2+]CC2CC2)CN1Cc1ccccc1 ZINC000717193897 799258320 /nfs/dbraw/zinc/25/83/20/799258320.db2.gz UKJIGKPUQLTSNA-MAUKXSAKSA-N 1 3 315.461 2.155 20 0 DEADHO c1ccc(-c2cnccc2NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001163176648 799270646 /nfs/dbraw/zinc/27/06/46/799270646.db2.gz VVWCADWISSLHRW-GPMSIDNRSA-N 1 3 309.413 2.207 20 0 DEADHO CC[NH+](CC)Cc1cc(OC)ccc1-n1nc(CN)cc1C ZINC001163988196 799473811 /nfs/dbraw/zinc/47/38/11/799473811.db2.gz KBDGHZMMYCDMTK-UHFFFAOYSA-N 1 3 302.422 2.490 20 0 DEADHO Cc1cccc(C)c1C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166633668 799907140 /nfs/dbraw/zinc/90/71/40/799907140.db2.gz JGUSBRGPTXECBB-KRWDZBQOSA-N 1 3 317.477 2.384 20 0 DEADHO CC(C)(C)N1CC[C@](F)(C(=O)NCCC[NH2+]C/C=C/Cl)C1 ZINC001166687274 799922159 /nfs/dbraw/zinc/92/21/59/799922159.db2.gz LLXDUOYAVROYRR-NFBGWVBBSA-N 1 3 319.852 2.047 20 0 DEADHO CC1(C)CCN(CC(=O)NCCC[NH2+]Cc2cccc(F)c2)C1 ZINC001166764937 799944627 /nfs/dbraw/zinc/94/46/27/799944627.db2.gz OVHQBQFXMZINBM-UHFFFAOYSA-N 1 3 321.440 2.154 20 0 DEADHO CCc1ccc(CC[NH2+]CCCNC(=O)[C@H](CC)N(C)C)cc1 ZINC001166852077 799966028 /nfs/dbraw/zinc/96/60/28/799966028.db2.gz LNMGHFZGXWSLJO-SFHVURJKSA-N 1 3 319.493 2.228 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+]CCCCc1ccccc1)N(C)C ZINC001166858269 799967048 /nfs/dbraw/zinc/96/70/48/799967048.db2.gz NNSQYOUQWCPJSY-SFHVURJKSA-N 1 3 319.493 2.445 20 0 DEADHO CCC[NH2+][C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C12CCC2 ZINC001203427009 800045866 /nfs/dbraw/zinc/04/58/66/800045866.db2.gz SCNLPUMHVXDDHI-GJZGRUSLSA-N 1 3 309.498 2.391 20 0 DEADHO CCN(CC)CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC2)C12CCC2 ZINC001203522648 800069237 /nfs/dbraw/zinc/06/92/37/800069237.db2.gz NRTKNICLWSMURH-HOTGVXAUSA-N 1 3 307.482 2.145 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]CC=C(C)C)CC1 ZINC001203904434 800144654 /nfs/dbraw/zinc/14/46/54/800144654.db2.gz WMICVZVIHXHRTJ-QGZVFWFLSA-N 1 3 307.482 2.408 20 0 DEADHO CCOc1ccc(CN2CCC[C@](O)(C[NH3+])CC2)c(OCC)c1 ZINC001205219777 800320005 /nfs/dbraw/zinc/32/00/05/800320005.db2.gz HQLVFGGKBVWNFF-GOSISDBHSA-N 1 3 322.449 2.160 20 0 DEADHO C[C@]1([NH3+])CCCN(Cc2ccc(N3CCC(O)CC3)s2)CC1 ZINC001205273684 800333958 /nfs/dbraw/zinc/33/39/58/800333958.db2.gz ONPODMNFKDTZAK-KRWDZBQOSA-N 1 3 323.506 2.413 20 0 DEADHO CCOC(=O)Cc1ccc(CN2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001205289031 800336735 /nfs/dbraw/zinc/33/67/35/800336735.db2.gz RGYAJASHMWMXKB-GOSISDBHSA-N 1 3 304.434 2.496 20 0 DEADHO C[C@]1([NH3+])CCCN(Cc2cccc(N3CCOCC3)c2)CC1 ZINC001205288009 800336961 /nfs/dbraw/zinc/33/69/61/800336961.db2.gz FORHGYHXXUMQCV-SFHVURJKSA-N 1 3 303.450 2.227 20 0 DEADHO CC[C@@H](F)C[NH2+]CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001205469733 800360689 /nfs/dbraw/zinc/36/06/89/800360689.db2.gz VNBSPMPYKQEAAV-OAHLLOKOSA-N 1 3 313.461 2.047 20 0 DEADHO COc1cc(CN2CCC[C@@](F)(C[NH3+])CC2)cc2c1OCO2 ZINC001205545714 800373569 /nfs/dbraw/zinc/37/35/69/800373569.db2.gz MHDYYKTUVODUAH-INIZCTEOSA-N 1 3 310.369 2.077 20 0 DEADHO COc1nc(OC)c(CN2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1C ZINC001205664571 800397173 /nfs/dbraw/zinc/39/71/73/800397173.db2.gz OGUDUSZHWBCXRQ-OCCSQVGLSA-N 1 3 307.438 2.214 20 0 DEADHO C[C@@H]1CC[C@H](CN)[N@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC001205807035 800423620 /nfs/dbraw/zinc/42/36/20/800423620.db2.gz XJJCWDXNWUTGSM-VQIMIIECSA-N 1 3 317.477 2.078 20 0 DEADHO C[C@@H]1CC[C@H](CN)[N@@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC001205807035 800423626 /nfs/dbraw/zinc/42/36/26/800423626.db2.gz XJJCWDXNWUTGSM-VQIMIIECSA-N 1 3 317.477 2.078 20 0 DEADHO CCOC(=O)c1ccc(CCC[N@@H+]2CCCNC[C@@H]2C)cc1 ZINC001206258057 800498492 /nfs/dbraw/zinc/49/84/92/800498492.db2.gz PDSRNASYDNSCDC-HNNXBMFYSA-N 1 3 304.434 2.480 20 0 DEADHO CCOC(=O)c1ccc(CCC[N@H+]2CCCNC[C@@H]2C)cc1 ZINC001206258057 800498494 /nfs/dbraw/zinc/49/84/94/800498494.db2.gz PDSRNASYDNSCDC-HNNXBMFYSA-N 1 3 304.434 2.480 20 0 DEADHO CC[C@@H](C(=O)N1CCC(C[NH2+]CCCCCF)CC1)N(C)C ZINC001206302349 800505136 /nfs/dbraw/zinc/50/51/36/800505136.db2.gz WVBHMZUGINFCMD-INIZCTEOSA-N 1 3 315.477 2.295 20 0 DEADHO Cn1cc(CN2CCC[C@](C)(C[NH3+])CC2)c(C(F)(F)F)n1 ZINC001206319012 800507868 /nfs/dbraw/zinc/50/78/68/800507868.db2.gz XIHKEQMVIANUEB-ZDUSSCGKSA-N 1 3 304.360 2.390 20 0 DEADHO CN1CCN(CCCO[C@H](CC[NH+](C)C)c2ccccc2)CC1 ZINC001206591918 800560757 /nfs/dbraw/zinc/56/07/57/800560757.db2.gz XVVISHMKLUUJCX-LJQANCHMSA-N 1 3 319.493 2.334 20 0 DEADHO [NH3+]C[C@@H]1CCCCN(CCOCCOCc2ccccc2)C1 ZINC001206607166 800564071 /nfs/dbraw/zinc/56/40/71/800564071.db2.gz WSBAWMCPMOVSEF-SFHVURJKSA-N 1 3 306.450 2.281 20 0 DEADHO COC(=O)CCc1c(C)[nH]c(CN2CCCC[C@@H](C[NH3+])C2)c1C ZINC001206616929 800566044 /nfs/dbraw/zinc/56/60/44/800566044.db2.gz UOLMXQDCFPNNGF-HNNXBMFYSA-N 1 3 321.465 2.298 20 0 DEADHO CCOC(=O)c1[nH]c(C)c(CN2CCCC[C@H](C[NH3+])C2)c1C ZINC001206615493 800566167 /nfs/dbraw/zinc/56/61/67/800566167.db2.gz GGJYFEBKMFUNMS-CQSZACIVSA-N 1 3 307.438 2.369 20 0 DEADHO CCN(CCC[NH+](C)C)Cc1ccc(CN2CCOCC2)cc1 ZINC001206727330 800581352 /nfs/dbraw/zinc/58/13/52/800581352.db2.gz FJLBOBLONLVCOL-UHFFFAOYSA-N 1 3 319.493 2.292 20 0 DEADHO CC[N@H+](CCCN(C)C)Cc1ccc(CN2CCOCC2)cc1 ZINC001206727330 800581354 /nfs/dbraw/zinc/58/13/54/800581354.db2.gz FJLBOBLONLVCOL-UHFFFAOYSA-N 1 3 319.493 2.292 20 0 DEADHO CC[N@@H+](CCCN(C)C)Cc1ccc(CN2CCOCC2)cc1 ZINC001206727330 800581360 /nfs/dbraw/zinc/58/13/60/800581360.db2.gz FJLBOBLONLVCOL-UHFFFAOYSA-N 1 3 319.493 2.292 20 0 DEADHO OC[C@]1(F)CCN(CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207287281 800723439 /nfs/dbraw/zinc/72/34/39/800723439.db2.gz RTCFRNBSZCFLIP-SFHVURJKSA-N 1 3 306.425 2.305 20 0 DEADHO CCN([C@@H]1CCOC1)C1CC[NH+](CC2(C)CCOCC2)CC1 ZINC001207968676 800881011 /nfs/dbraw/zinc/88/10/11/800881011.db2.gz CLTZWBKEXAUKDE-QGZVFWFLSA-N 1 3 310.482 2.378 20 0 DEADHO COC(=O)[C@@H]1CN(CC2(C)CC[NH+](C)CC2)Cc2ccccc21 ZINC001208112769 800915402 /nfs/dbraw/zinc/91/54/02/800915402.db2.gz YPMJEMWMBSSUGA-QGZVFWFLSA-N 1 3 316.445 2.491 20 0 DEADHO CN(C)CC1(C[NH+]2CCC(Oc3ncccn3)CC2)CCCC1 ZINC001208192602 800927487 /nfs/dbraw/zinc/92/74/87/800927487.db2.gz VUKVAYMKKBKNDC-UHFFFAOYSA-N 1 3 318.465 2.442 20 0 DEADHO CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001208335182 800957578 /nfs/dbraw/zinc/95/75/78/800957578.db2.gz ROUYYKAZVVEIII-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(=O)N1CCCCC12CCN(C[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001208606683 801027885 /nfs/dbraw/zinc/02/78/85/801027885.db2.gz HSCDSHYZPRELSB-QGZVFWFLSA-N 1 3 307.482 2.195 20 0 DEADHO CC(=O)N1CCCCC12CCN(C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC001208606683 801027889 /nfs/dbraw/zinc/02/78/89/801027889.db2.gz HSCDSHYZPRELSB-QGZVFWFLSA-N 1 3 307.482 2.195 20 0 DEADHO COC(=O)[C@@H]1CCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208932053 801097759 /nfs/dbraw/zinc/09/77/59/801097759.db2.gz NRLNWPODAIQCRZ-QZTJIDSGSA-N 1 3 316.445 2.394 20 0 DEADHO COC(=O)[C@@H]1CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208932053 801097760 /nfs/dbraw/zinc/09/77/60/801097760.db2.gz NRLNWPODAIQCRZ-QZTJIDSGSA-N 1 3 316.445 2.394 20 0 DEADHO CCCN1C[C@@H]2C[N@@H+](CC3CCC4(CC3)OCCO4)C[C@@H]2C1 ZINC001209103868 801129540 /nfs/dbraw/zinc/12/95/40/801129540.db2.gz NLEHUYUAVOZNTN-CALCHBBNSA-N 1 3 308.466 2.193 20 0 DEADHO CCCN1C[C@@H]2C[N@H+](CC3CCC4(CC3)OCCO4)C[C@@H]2C1 ZINC001209103868 801129543 /nfs/dbraw/zinc/12/95/43/801129543.db2.gz NLEHUYUAVOZNTN-CALCHBBNSA-N 1 3 308.466 2.193 20 0 DEADHO CCC[N@H+]1C[C@H]2CN(CC3CCC4(CC3)OCCO4)C[C@H]2C1 ZINC001209103868 801129548 /nfs/dbraw/zinc/12/95/48/801129548.db2.gz NLEHUYUAVOZNTN-CALCHBBNSA-N 1 3 308.466 2.193 20 0 DEADHO CCC[N@@H+]1C[C@H]2CN(CC3CCC4(CC3)OCCO4)C[C@H]2C1 ZINC001209103868 801129553 /nfs/dbraw/zinc/12/95/53/801129553.db2.gz NLEHUYUAVOZNTN-CALCHBBNSA-N 1 3 308.466 2.193 20 0 DEADHO Cc1n[nH]cc1C[NH+]1C[C@@H]2CN(Cc3cccs3)C[C@H]2C1 ZINC001209553947 801215971 /nfs/dbraw/zinc/21/59/71/801215971.db2.gz RYNYOEXQGZIBKI-HUUCEWRRSA-N 1 3 302.447 2.343 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001209633368 801240206 /nfs/dbraw/zinc/24/02/06/801240206.db2.gz TTZZBCBYJNDZQF-STQMWFEESA-N 1 3 321.387 2.004 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CCC(C)(C)C)C2)C1 ZINC001209642497 801242978 /nfs/dbraw/zinc/24/29/78/801242978.db2.gz OCOZLANMMFGRAO-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001209689274 801256186 /nfs/dbraw/zinc/25/61/86/801256186.db2.gz JVLGAUZSIIOROV-CABCVRRESA-N 1 3 315.477 2.293 20 0 DEADHO CCN(CC)CC(=O)NC1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001229678907 801304053 /nfs/dbraw/zinc/30/40/53/801304053.db2.gz NDUVXTRQLPFAGR-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2csc(C)c2)C[C@H]1C ZINC001210041547 801325031 /nfs/dbraw/zinc/32/50/31/801325031.db2.gz UGWZCARQWKJKSK-CZUORRHYSA-N 1 3 323.506 2.335 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2csc(C)c2)C[C@H]1C ZINC001210041547 801325038 /nfs/dbraw/zinc/32/50/38/801325038.db2.gz UGWZCARQWKJKSK-CZUORRHYSA-N 1 3 323.506 2.335 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CCc2cccs2)C1 ZINC001210219941 801351953 /nfs/dbraw/zinc/35/19/53/801351953.db2.gz VLPWWGBTCTZPCO-HNNXBMFYSA-N 1 3 323.506 2.213 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001211269762 801540551 /nfs/dbraw/zinc/54/05/51/801540551.db2.gz VLXNLOVIBSARAH-QGZVFWFLSA-N 1 3 321.440 2.247 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001211284343 801541858 /nfs/dbraw/zinc/54/18/58/801541858.db2.gz LHQBOCTWDFOTIA-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)Cc1cc(F)cc(CN2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC001232149845 801800392 /nfs/dbraw/zinc/80/03/92/801800392.db2.gz ORQRMQDXFMCCTD-SFHVURJKSA-N 1 3 305.441 2.415 20 0 DEADHO CN(C)Cc1cc(F)cc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC001232149845 801800399 /nfs/dbraw/zinc/80/03/99/801800399.db2.gz ORQRMQDXFMCCTD-SFHVURJKSA-N 1 3 305.441 2.415 20 0 DEADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC=C(Cl)Cl)C1 ZINC001216225258 801954389 /nfs/dbraw/zinc/95/43/89/801954389.db2.gz CSCSLBIVLXBDLA-VXGBXAGGSA-N 1 3 322.280 2.084 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC=C(Cl)Cl)C1 ZINC001216225258 801954395 /nfs/dbraw/zinc/95/43/95/801954395.db2.gz CSCSLBIVLXBDLA-VXGBXAGGSA-N 1 3 322.280 2.084 20 0 DEADHO COCCN(Cc1c[nH]c2ccc(O)cc12)C1CC[NH+](C)CC1 ZINC001232865689 801974563 /nfs/dbraw/zinc/97/45/63/801974563.db2.gz CSVYXDFOWMZEJO-UHFFFAOYSA-N 1 3 317.433 2.416 20 0 DEADHO Nc1cccc(C[NH+]2C[C@@H]3CN(Cc4cccs4)C[C@H]3C2)n1 ZINC001233369400 802092377 /nfs/dbraw/zinc/09/23/77/802092377.db2.gz MXQSSEBHCPLZPR-ZIAGYGMSSA-N 1 3 314.458 2.289 20 0 DEADHO N[C@H](CCC[NH3+])C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1 ZINC001218752705 802236609 /nfs/dbraw/zinc/23/66/09/802236609.db2.gz HINZQKXYIZPBFR-OAHLLOKOSA-N 1 3 323.400 2.006 20 0 DEADHO Nc1ccccc1N(C(=O)[C@H](N)C1CC[NH2+]CC1)c1ccccc1 ZINC001218835098 802247926 /nfs/dbraw/zinc/24/79/26/802247926.db2.gz DXXSZSNDDMHINC-GOSISDBHSA-N 1 3 324.428 2.260 20 0 DEADHO CC[NH+](CC)CCNC(=O)[C@H]1CCC[C@@H](c2ccccc2)N1 ZINC001219555802 802344250 /nfs/dbraw/zinc/34/42/50/802344250.db2.gz SMXFXCKEDNQINX-DLBZAZTESA-N 1 3 303.450 2.328 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)NCc1cccc(C(F)F)c1 ZINC001219739468 802373991 /nfs/dbraw/zinc/37/39/91/802373991.db2.gz PFAIEAMNWFXKHG-AWEZNQCLSA-N 1 3 313.392 2.300 20 0 DEADHO C[C@]12CC3CC(NC(=O)[C@H](N)C4CC[NH2+]CC4)(C1)C[C@@](C)(C3)C2 ZINC001219993958 802400385 /nfs/dbraw/zinc/40/03/85/802400385.db2.gz AQDVUSZRKZAKIQ-PMXIJENKSA-N 1 3 319.493 2.179 20 0 DEADHO C[NH+](C)CC(C)(C)CNC(=O)[C@H](N)C12CC3CC(CC(C3)C1)C2 ZINC001220254721 802433650 /nfs/dbraw/zinc/43/36/50/802433650.db2.gz VGJACLLLGNCPNF-DZPQGLOJSA-N 1 3 321.509 2.234 20 0 DEADHO CC[C@@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)c1ccc(C)cc1C ZINC001220964991 802516697 /nfs/dbraw/zinc/51/66/97/802516697.db2.gz WTXKDFHTKKHHAT-SJORKVTESA-N 1 3 303.450 2.198 20 0 DEADHO Cc1ccccc1C(C)(C)NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001221170547 802534570 /nfs/dbraw/zinc/53/45/70/802534570.db2.gz MMNQEZQAQQQGRD-INIZCTEOSA-N 1 3 305.466 2.406 20 0 DEADHO CCN1CC[C@@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001221714020 802605927 /nfs/dbraw/zinc/60/59/27/802605927.db2.gz JPDSSRCIJKBSTD-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CC[C@@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001221714020 802605932 /nfs/dbraw/zinc/60/59/32/802605932.db2.gz JPDSSRCIJKBSTD-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO CCOC(=O)[C@@]12CN(Cc3ccccc3C)C[C@@H]1C[NH2+]CCC2 ZINC001222125378 802647318 /nfs/dbraw/zinc/64/73/18/802647318.db2.gz KQEWYNQBASHHPM-HKUYNNGSSA-N 1 3 316.445 2.360 20 0 DEADHO C[NH+](C)CCC(=O)N1CC[C@H]2CCN(Cc3ccsc3)[C@H]2C1 ZINC001223438775 802790019 /nfs/dbraw/zinc/79/00/19/802790019.db2.gz BKJRUQVECMRWDR-CVEARBPZSA-N 1 3 321.490 2.123 20 0 DEADHO CC[C@@H](F)C[NH+]1CCC(CNC(=O)CN2CCC[C@H]2C)CC1 ZINC001224534972 802879480 /nfs/dbraw/zinc/87/94/80/802879480.db2.gz BMNJBLZXCKALOO-GDBMZVCRSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC(CNC(=O)CN2CCC[C@H]2C)CC1 ZINC001224535165 802879495 /nfs/dbraw/zinc/87/94/95/802879495.db2.gz DEVWPFBAUYDSJN-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CC(=O)O[C@H]1C[C@@H]2C[C@H](OCCC[NH+]3CCCCC3)C[C@H]1N2C ZINC001224858660 802910992 /nfs/dbraw/zinc/91/09/92/802910992.db2.gz FBKOUUDOBOYONV-FJIDUMEYSA-N 1 3 324.465 2.046 20 0 DEADHO CC(C)N(C)CC(=O)NCC1CC[NH+](CC2CCCC2)CC1 ZINC001225582153 802986367 /nfs/dbraw/zinc/98/63/67/802986367.db2.gz FITZWGQKSRQKQZ-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CCC(CC)C[NH+]1CCC(NC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001227817172 803284041 /nfs/dbraw/zinc/28/40/41/803284041.db2.gz KFUQKNIHVDMIQW-KRWDZBQOSA-N 1 3 309.498 2.343 20 0 DEADHO CN(C)[C@@H](C(=O)NC1CC[NH+](CCCC2CCC2)CC1)C1CC1 ZINC001227817431 803284230 /nfs/dbraw/zinc/28/42/30/803284230.db2.gz LFTWMYAKNNEIQT-GOSISDBHSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(F)(F)F)N(C)C ZINC001228661258 803389175 /nfs/dbraw/zinc/38/91/75/803389175.db2.gz PNDHWIPVADUWNE-UPJWGTAASA-N 1 3 323.403 2.296 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@H+](CCCF)CC(C)(C)C1 ZINC001368831843 1148697555 /nfs/dbraw/zinc/69/75/55/1148697555.db2.gz JJTJBKKLVUKKQU-HNNXBMFYSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@@H+](CCCF)CC(C)(C)C1 ZINC001368831843 1148697561 /nfs/dbraw/zinc/69/75/61/1148697561.db2.gz JJTJBKKLVUKKQU-HNNXBMFYSA-N 1 3 315.477 2.293 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC12CC[NH+](CCC(C)C)CC2 ZINC001370075811 1149379357 /nfs/dbraw/zinc/37/93/57/1149379357.db2.gz CPNJAWUATGCWLG-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001418824210 1167990281 /nfs/dbraw/zinc/99/02/81/1167990281.db2.gz IUDCFHZJHRNZFZ-HNNXBMFYSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[N@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001418824210 1167990285 /nfs/dbraw/zinc/99/02/85/1167990285.db2.gz IUDCFHZJHRNZFZ-HNNXBMFYSA-N 1 3 309.498 2.486 20 0 DEADHO Cc1ccc2[nH]cc(CCNC[C@@H](O)C[NH+]3CCCC3)c2c1 ZINC001335366536 1150400974 /nfs/dbraw/zinc/40/09/74/1150400974.db2.gz HMSZVIYIVRWBJF-MRXNPFEDSA-N 1 3 301.434 2.065 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccsc2)C1 ZINC001368347289 1148420167 /nfs/dbraw/zinc/42/01/67/1148420167.db2.gz UGZQOHMFWBIWNE-ZBFHGGJFSA-N 1 3 323.506 2.415 20 0 DEADHO CC[C@H](F)C[NH+]1CCC([C@H](C)NC(=O)[C@H](CC)N(C)C)CC1 ZINC001403994326 1163360156 /nfs/dbraw/zinc/36/01/56/1163360156.db2.gz JPOMWUKUJXBHGX-BPUTZDHNSA-N 1 3 315.477 2.291 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001368473703 1148459653 /nfs/dbraw/zinc/45/96/53/1148459653.db2.gz HPORNLWPFSWLJS-POZMBQRDSA-N 1 3 313.873 2.096 20 0 DEADHO CC[C@@H](C)C[NH+]1CC([C@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001369093660 1148847616 /nfs/dbraw/zinc/84/76/16/1148847616.db2.gz OKDVMENKCZXSBW-CABCVRRESA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001454741090 1057556839 /nfs/dbraw/zinc/55/68/39/1057556839.db2.gz DOYRZEIQOYKPFP-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC=C(C)C ZINC001499955340 1058401346 /nfs/dbraw/zinc/40/13/46/1058401346.db2.gz QHPQCFIBTYOSDA-DLBZAZTESA-N 1 3 307.482 2.408 20 0 DEADHO CC[C@H](C(=O)N[C@H](C[NH2+]C/C=C\Cl)C1CCCC1)N(C)C ZINC001500097143 1058487994 /nfs/dbraw/zinc/48/79/94/1058487994.db2.gz QBANGNJWBJGCHD-IKQZUGGXSA-N 1 3 315.889 2.344 20 0 DEADHO CO[C@H]([C@@H](C)[NH2+]C1CCC(C)(N2CCOCC2)CC1)C1CC1 ZINC001462247047 1058788580 /nfs/dbraw/zinc/78/85/80/1058788580.db2.gz GOPDJBOQVWNXJX-CCGTUFIJSA-N 1 3 310.482 2.423 20 0 DEADHO CN(CC(=O)NC[C@@]1(C)CCC[N@H+](CCC2CC2)C1)C1CCC1 ZINC001500502206 1058858311 /nfs/dbraw/zinc/85/83/11/1058858311.db2.gz PCIIWSAWRRWKIB-LJQANCHMSA-N 1 3 321.509 2.489 20 0 DEADHO CN(CC(=O)NC[C@@]1(C)CCC[N@@H+](CCC2CC2)C1)C1CCC1 ZINC001500502206 1058858340 /nfs/dbraw/zinc/85/83/40/1058858340.db2.gz PCIIWSAWRRWKIB-LJQANCHMSA-N 1 3 321.509 2.489 20 0 DEADHO CN(C)C1(C(=O)NC[C@@]2(C)CCC[N@H+](CCC3CC3)C2)CCC1 ZINC001500502567 1058863660 /nfs/dbraw/zinc/86/36/60/1058863660.db2.gz XLCWDEXXYVWRMQ-GOSISDBHSA-N 1 3 321.509 2.489 20 0 DEADHO CN(C)C1(C(=O)NC[C@@]2(C)CCC[N@@H+](CCC3CC3)C2)CCC1 ZINC001500502567 1058863674 /nfs/dbraw/zinc/86/36/74/1058863674.db2.gz XLCWDEXXYVWRMQ-GOSISDBHSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN(C)CC(=O)NC[C@@]1(C)CCC[N@H+](CC[C@H](C)F)C1 ZINC001500547013 1058914081 /nfs/dbraw/zinc/91/40/81/1058914081.db2.gz MBHBQRKKXVALFA-DOTOQJQBSA-N 1 3 315.477 2.295 20 0 DEADHO CCCN(C)CC(=O)NC[C@@]1(C)CCC[N@@H+](CC[C@H](C)F)C1 ZINC001500547013 1058914099 /nfs/dbraw/zinc/91/40/99/1058914099.db2.gz MBHBQRKKXVALFA-DOTOQJQBSA-N 1 3 315.477 2.295 20 0 DEADHO CC(C)CC[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001368573008 1148501848 /nfs/dbraw/zinc/50/18/48/1148501848.db2.gz LAGVWCRJPSHUBA-WKILWMFISA-N 1 3 309.498 2.391 20 0 DEADHO CC[NH2+][C@H](C)c1ccc(CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001501679960 1059631618 /nfs/dbraw/zinc/63/16/18/1059631618.db2.gz WFNAUKBVDSDRAN-LSDHHAIUSA-N 1 3 303.450 2.315 20 0 DEADHO C[C@@H](NCCF)c1ccc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001501681769 1059631947 /nfs/dbraw/zinc/63/19/47/1059631947.db2.gz QHIUEQDOCUBKIN-ZBFHGGJFSA-N 1 3 321.440 2.265 20 0 DEADHO C[C@@H](NCCF)c1ccc(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001501681769 1059631953 /nfs/dbraw/zinc/63/19/53/1059631953.db2.gz QHIUEQDOCUBKIN-ZBFHGGJFSA-N 1 3 321.440 2.265 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CCC1 ZINC001502019156 1059872325 /nfs/dbraw/zinc/87/23/25/1059872325.db2.gz PURASHZICVKSCO-IXDOHACOSA-N 1 3 321.509 2.393 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1([NH2+]CCC2CC2)CCC1 ZINC001502029489 1059884045 /nfs/dbraw/zinc/88/40/45/1059884045.db2.gz ZMJPWJVWXPHTET-HUUCEWRRSA-N 1 3 307.482 2.288 20 0 DEADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1NCC=C(Cl)Cl ZINC001502739112 1060255218 /nfs/dbraw/zinc/25/52/18/1060255218.db2.gz WTHXWCRCXONKOW-RYUDHWBXSA-N 1 3 322.280 2.084 20 0 DEADHO CC[C@H](C(=O)NC1CC(C[NH2+]CC2=CCCCC2)C1)N(C)C ZINC001505505735 1060665706 /nfs/dbraw/zinc/66/57/06/1060665706.db2.gz UEVPXXQNWYCWRJ-OFLPRAFFSA-N 1 3 307.482 2.311 20 0 DEADHO Cc1cc(CNC2CC[NH+](CCC(=O)N(C)C)CC2)c(C)s1 ZINC001473979353 1060784136 /nfs/dbraw/zinc/78/41/36/1060784136.db2.gz PXXKENRLXZVOCA-UHFFFAOYSA-N 1 3 323.506 2.397 20 0 DEADHO CC(C)c1cccc(CN[C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001505686592 1060866412 /nfs/dbraw/zinc/86/64/12/1060866412.db2.gz RIENTUSCQMABPV-GJZGRUSLSA-N 1 3 320.481 2.140 20 0 DEADHO Cc1ccc(CN(C)[C@@H](C)CNC(=O)CCC[NH+](C)C)cc1F ZINC001505991501 1061221714 /nfs/dbraw/zinc/22/17/14/1061221714.db2.gz URQYCQVIOWLEJL-HNNXBMFYSA-N 1 3 323.456 2.412 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001479338762 1061399345 /nfs/dbraw/zinc/39/93/45/1061399345.db2.gz RXDGNVLHRAAUSC-WOVMCDHWSA-N 1 3 321.440 2.152 20 0 DEADHO CC[C@@H](F)C[NH2+][C@@H]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001479453608 1061464182 /nfs/dbraw/zinc/46/41/82/1061464182.db2.gz DDVSTDVMOAGWKF-RRFJBIMHSA-N 1 3 313.461 2.093 20 0 DEADHO CCCCCCN(C)CC(=O)N[C@@H]1CC12CC[NH+](CC)CC2 ZINC001479988849 1062152649 /nfs/dbraw/zinc/15/26/49/1062152649.db2.gz MOVJDDQFXDYZNC-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001480085765 1062302368 /nfs/dbraw/zinc/30/23/68/1062302368.db2.gz SITIBTDVOUWCAW-HNNXBMFYSA-N 1 3 304.438 2.089 20 0 DEADHO CC(C)=CC[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001480085765 1062302393 /nfs/dbraw/zinc/30/23/93/1062302393.db2.gz SITIBTDVOUWCAW-HNNXBMFYSA-N 1 3 304.438 2.089 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN(C)C3CCC3)C2)cc1 ZINC001480143180 1062380101 /nfs/dbraw/zinc/38/01/01/1062380101.db2.gz ZIBGEUAUHJTMDB-QAQDUYKDSA-N 1 3 315.461 2.216 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+](CC2CCC2)C1)N(C)C ZINC001480254541 1062537622 /nfs/dbraw/zinc/53/76/22/1062537622.db2.gz DIEDOZWCHCZRLK-SJORKVTESA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CC2CCC2)C1)N(C)C ZINC001480254541 1062537646 /nfs/dbraw/zinc/53/76/46/1062537646.db2.gz DIEDOZWCHCZRLK-SJORKVTESA-N 1 3 309.498 2.201 20 0 DEADHO CN(C(=O)C(C)(C)N1CCCC1)[C@@H](C[NH2+]CC1CCC1)C1CC1 ZINC001507020188 1062684519 /nfs/dbraw/zinc/68/45/19/1062684519.db2.gz XXMGWVNCQSKDLL-KRWDZBQOSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](C)N1CCCCCC1 ZINC001507026240 1062689723 /nfs/dbraw/zinc/68/97/23/1062689723.db2.gz GRZKZQODANBEOC-DOTOQJQBSA-N 1 3 309.498 2.486 20 0 DEADHO CN(C(=O)Cc1c[nH]cn1)[C@@H](C[NH2+]CC1=CCCCC1)C1CC1 ZINC001507026594 1062692264 /nfs/dbraw/zinc/69/22/64/1062692264.db2.gz YGZNWAFROYYBTI-KRWDZBQOSA-N 1 3 316.449 2.279 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCc2cccs2)C[C@@H]1C ZINC001507327930 1063100587 /nfs/dbraw/zinc/10/05/87/1063100587.db2.gz LPKKPMMMADUQRQ-LSDHHAIUSA-N 1 3 323.506 2.211 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCC2CCCC2)C1 ZINC001480635086 1063132291 /nfs/dbraw/zinc/13/22/91/1063132291.db2.gz BYTUPWDBKBWKKT-IRXDYDNUSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[NH2+][C@H](C)c1cccc(F)c1 ZINC001493805977 1063969612 /nfs/dbraw/zinc/96/96/12/1063969612.db2.gz CPERAYXVVILZIR-CQSZACIVSA-N 1 3 309.429 2.275 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001494056022 1064105980 /nfs/dbraw/zinc/10/59/80/1064105980.db2.gz SPAIVSYRSXPRQR-SJORKVTESA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001494056022 1064105983 /nfs/dbraw/zinc/10/59/83/1064105983.db2.gz SPAIVSYRSXPRQR-SJORKVTESA-N 1 3 309.498 2.203 20 0 DEADHO CN(C)C1(C(=O)N(C)CC[NH2+]CCC2CCCCC2)CCC1 ZINC001567508144 1064230798 /nfs/dbraw/zinc/23/07/98/1064230798.db2.gz RAHJAILHAPQXTD-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CC[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCc1cncs1 ZINC001494998118 1064632140 /nfs/dbraw/zinc/63/21/40/1064632140.db2.gz CCEVYNGDMFLPNJ-UONOGXRCSA-N 1 3 324.494 2.002 20 0 DEADHO CC[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCc1cncs1 ZINC001494998118 1064632146 /nfs/dbraw/zinc/63/21/46/1064632146.db2.gz CCEVYNGDMFLPNJ-UONOGXRCSA-N 1 3 324.494 2.002 20 0 DEADHO C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)C[NH2+]CCC1CC1 ZINC001568196400 1064696438 /nfs/dbraw/zinc/69/64/38/1064696438.db2.gz FALJHUZMQMQVGW-CVEARBPZSA-N 1 3 309.498 2.393 20 0 DEADHO Cc1ccc(CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCN2C)cc1 ZINC001568262576 1064737403 /nfs/dbraw/zinc/73/74/03/1064737403.db2.gz LCVNRSFZNSBYIH-WMZOPIPTSA-N 1 3 317.477 2.068 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CC1CCC1 ZINC001496483813 1065501884 /nfs/dbraw/zinc/50/18/84/1065501884.db2.gz AFSCWLPPKARCKY-WBVHZDCISA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]CCF ZINC001496640125 1065612276 /nfs/dbraw/zinc/61/22/76/1065612276.db2.gz YOKQVSKRZFUADZ-INIZCTEOSA-N 1 3 309.429 2.062 20 0 DEADHO Cc1ccc(CN(C)CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001496706100 1065660613 /nfs/dbraw/zinc/66/06/13/1065660613.db2.gz BQZOGLJQJXTBJM-SJLPKXTDSA-N 1 3 317.477 2.225 20 0 DEADHO Cc1ccc(CN(C)CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001496706100 1065660616 /nfs/dbraw/zinc/66/06/16/1065660616.db2.gz BQZOGLJQJXTBJM-SJLPKXTDSA-N 1 3 317.477 2.225 20 0 DEADHO CN(CCc1cccs1)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001496776975 1065704278 /nfs/dbraw/zinc/70/42/78/1065704278.db2.gz KGNFJNUMVDIMEL-UHFFFAOYSA-N 1 3 323.506 2.023 20 0 DEADHO Cc1ccc(CN(C)CCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC001496782051 1065709327 /nfs/dbraw/zinc/70/93/27/1065709327.db2.gz WALNWNTVLSZHEW-KRWDZBQOSA-N 1 3 317.477 2.227 20 0 DEADHO Cc1ccc(CN(C)CCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001496782051 1065709341 /nfs/dbraw/zinc/70/93/41/1065709341.db2.gz WALNWNTVLSZHEW-KRWDZBQOSA-N 1 3 317.477 2.227 20 0 DEADHO CN(CC(=O)N1CC[C@@H](CC[NH2+]CCC2CC2)C1)C1CCC1 ZINC001569983440 1065860133 /nfs/dbraw/zinc/86/01/33/1065860133.db2.gz AVAAGYOUNAVOPK-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H](C(=O)N1CCCC[C@@H]1CNCCF)[NH+]1CCCCCC1 ZINC001570090974 1065920204 /nfs/dbraw/zinc/92/02/04/1065920204.db2.gz LOQAXUPKHDSNOU-HZPDHXFCSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)C[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001575626569 1066379201 /nfs/dbraw/zinc/37/92/01/1066379201.db2.gz KRZADVMYPJSOKX-QZTJIDSGSA-N 1 3 317.477 2.483 20 0 DEADHO CC(C)C[C@H]([NH3+])CC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC001575644954 1066387789 /nfs/dbraw/zinc/38/77/89/1066387789.db2.gz VATQMPPJRLMNIG-KRWDZBQOSA-N 1 3 323.456 2.479 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(C)c1 ZINC001497994210 1066450117 /nfs/dbraw/zinc/45/01/17/1066450117.db2.gz XQMJEFOVDFOCHG-AEFFLSMTSA-N 1 3 317.477 2.464 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CC(C)(C)C1 ZINC001498051810 1066479934 /nfs/dbraw/zinc/47/99/34/1066479934.db2.gz XQWYGTIOYRIICH-HOCLYGCPSA-N 1 3 309.498 2.391 20 0 DEADHO CC1(C)CCC[C@@](CO)(NCc2nc3c(s2)C[NH2+]CC3)C1 ZINC001576426918 1066602058 /nfs/dbraw/zinc/60/20/58/1066602058.db2.gz PBDIZFOCCLPCAO-MRXNPFEDSA-N 1 3 309.479 2.210 20 0 DEADHO C[C@@]1(NC(=O)C[C@H]2CC[C@@H]([NH3+])C2)CCN(Cc2ccccc2)C1 ZINC001576539554 1066632059 /nfs/dbraw/zinc/63/20/59/1066632059.db2.gz KANVTKDOWPYYID-YQVWRLOYSA-N 1 3 315.461 2.285 20 0 DEADHO C[C@H]1CCN(CCc2ccc3c(c2)OC(F)(F)O3)C[C@@H]1C[NH3+] ZINC001576731708 1066674414 /nfs/dbraw/zinc/67/44/14/1066674414.db2.gz NHITXHDJAZNFCP-AAEUAGOBSA-N 1 3 312.360 2.467 20 0 DEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN[C@H](C)[C@H]2C)C1 ZINC001577260540 1066800178 /nfs/dbraw/zinc/80/01/78/1066800178.db2.gz RRMNWWSCZULOSC-BZUAXINKSA-N 1 3 324.513 2.279 20 0 DEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN[C@H](C)[C@H]2C)C1 ZINC001577260540 1066800193 /nfs/dbraw/zinc/80/01/93/1066800193.db2.gz RRMNWWSCZULOSC-BZUAXINKSA-N 1 3 324.513 2.279 20 0 DEADHO CCN(C(=O)c1cccc(CN2CCCC2)c1)[C@H]1CC[NH2+]C1 ZINC001577646709 1066896025 /nfs/dbraw/zinc/89/60/25/1066896025.db2.gz YHPUUAXKNWVUGL-KRWDZBQOSA-N 1 3 301.434 2.106 20 0 DEADHO CC1CC(C[N@@H+]2CC[C@H]2CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001498978426 1066998066 /nfs/dbraw/zinc/99/80/66/1066998066.db2.gz DGDPZIAXNLUYAO-JCYILVPMSA-N 1 3 321.509 2.488 20 0 DEADHO CC1CC(C[N@H+]2CC[C@H]2CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001498978426 1066998076 /nfs/dbraw/zinc/99/80/76/1066998076.db2.gz DGDPZIAXNLUYAO-JCYILVPMSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)c1 ZINC001578421650 1067093140 /nfs/dbraw/zinc/09/31/40/1067093140.db2.gz WYFUUIQSNMKENF-SFHVURJKSA-N 1 3 301.434 2.106 20 0 DEADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCN2CCCC2CCC2)C1 ZINC001499099850 1067093048 /nfs/dbraw/zinc/09/30/48/1067093048.db2.gz IAWKTHKDKMYBRM-IRXDYDNUSA-N 1 3 307.482 2.099 20 0 DEADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCN2CCCC2CCC2)C1 ZINC001499099850 1067093057 /nfs/dbraw/zinc/09/30/57/1067093057.db2.gz IAWKTHKDKMYBRM-IRXDYDNUSA-N 1 3 307.482 2.099 20 0 DEADHO C[NH2+]CCCN(C)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001578684231 1067150793 /nfs/dbraw/zinc/15/07/93/1067150793.db2.gz RBEHAQIQHHKZRP-NVXWUHKLSA-N 1 3 318.465 2.073 20 0 DEADHO COCC[C@H](N)C[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC001579003943 1067219069 /nfs/dbraw/zinc/21/90/69/1067219069.db2.gz OCNWWRVJWREMIB-LBPRGKRZSA-N 1 3 306.328 2.081 20 0 DEADHO COc1cc(CN(C)C)ccc1NC(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001579150075 1067243875 /nfs/dbraw/zinc/24/38/75/1067243875.db2.gz ADMZCIBZVCKAJD-TZMCWYRMSA-N 1 3 305.422 2.083 20 0 DEADHO COc1cc(C[NH2+][C@@H](C)CN)ccc1OCc1c(C)noc1C ZINC001579154095 1067245375 /nfs/dbraw/zinc/24/53/75/1067245375.db2.gz SIPWJRQLYJRIHJ-NSHDSACASA-N 1 3 319.405 2.316 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@@H](C(C)(C)O)C2)cc1 ZINC001579195320 1067254899 /nfs/dbraw/zinc/25/48/99/1067254899.db2.gz VORJOBYOMXDNRY-HZPDHXFCSA-N 1 3 306.450 2.220 20 0 DEADHO COc1ccc([C@H](NC[C@H](O)CC[NH3+])c2ccc(F)cc2)cc1 ZINC001579200202 1067256339 /nfs/dbraw/zinc/25/63/39/1067256339.db2.gz RNTZXVSTEAPDBH-SJLPKXTDSA-N 1 3 318.392 2.223 20 0 DEADHO CSc1ccc([C@H](CNC(=O)C[C@@H]([NH3+])C2CC2)N(C)C)cc1 ZINC001579387967 1067322464 /nfs/dbraw/zinc/32/24/64/1067322464.db2.gz QBPORBKBXXFMAY-CVEARBPZSA-N 1 3 321.490 2.255 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCC(C)C)C1 ZINC001267026971 1078512239 /nfs/dbraw/zinc/51/22/39/1078512239.db2.gz ZZNRUPSTTUMIAQ-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN(C)Cc1cc(F)ccc1C ZINC001483404465 1078512567 /nfs/dbraw/zinc/51/25/67/1078512567.db2.gz TUYZZHDBCWJBBK-OAHLLOKOSA-N 1 3 323.456 2.412 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN(C)Cc1cc(F)ccc1C ZINC001483404465 1078512570 /nfs/dbraw/zinc/51/25/70/1078512570.db2.gz TUYZZHDBCWJBBK-OAHLLOKOSA-N 1 3 323.456 2.412 20 0 DEADHO Cc1ccc(F)cc1NC(=O)CCN[C@H]1CC[NH2+]CC1(C)C ZINC001579708397 1067408097 /nfs/dbraw/zinc/40/80/97/1067408097.db2.gz QJIPGDRSTZXUER-HNNXBMFYSA-N 1 3 307.413 2.440 20 0 DEADHO Clc1ccc([C@@H](CNC2CC[NH2+]CC2)n2cccn2)cc1 ZINC001579938015 1067457847 /nfs/dbraw/zinc/45/78/47/1067457847.db2.gz KVDMJAGJBRBISL-MRXNPFEDSA-N 1 3 304.825 2.468 20 0 DEADHO Clc1ccc([C@@H](C[NH2+]C2CCNCC2)n2cccn2)cc1 ZINC001579938015 1067457848 /nfs/dbraw/zinc/45/78/48/1067457848.db2.gz KVDMJAGJBRBISL-MRXNPFEDSA-N 1 3 304.825 2.468 20 0 DEADHO NC(=O)[C@@H](NCCC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC001580084969 1067493698 /nfs/dbraw/zinc/49/36/98/1067493698.db2.gz MYJAYSBBNGNVPO-LVMUYBQDSA-N 1 3 321.852 2.377 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]C/C=C/Cl ZINC001483442711 1078536863 /nfs/dbraw/zinc/53/68/63/1078536863.db2.gz HJNNUIXEWAROOD-VOTDVEDPSA-N 1 3 315.889 2.345 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CCc2cccs2)C1)N(C)C ZINC001267067593 1078542683 /nfs/dbraw/zinc/54/26/83/1078542683.db2.gz RLOJNWLZZDFPHY-GOEBONIOSA-N 1 3 323.506 2.069 20 0 DEADHO CC(C)(C(=O)N1C[C@H]([NH2+]CCCF)C(C)(C)C1)N1CCCC1 ZINC001571561196 1068421232 /nfs/dbraw/zinc/42/12/32/1068421232.db2.gz PTSLQHXHAUHUPL-AWEZNQCLSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)(C(=O)N1C[C@@H]([NH2+]CCCF)C(C)(C)C1)N1CCCC1 ZINC001571561197 1068421648 /nfs/dbraw/zinc/42/16/48/1068421648.db2.gz PTSLQHXHAUHUPL-CQSZACIVSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)[C@@H](CC)CN1 ZINC001573721625 1069081761 /nfs/dbraw/zinc/08/17/61/1069081761.db2.gz ZMHNYPPNFOHZGU-TWMKSMIVSA-N 1 3 322.497 2.175 20 0 DEADHO CC[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)[C@@H](CC)CN1 ZINC001573721625 1069081764 /nfs/dbraw/zinc/08/17/64/1069081764.db2.gz ZMHNYPPNFOHZGU-TWMKSMIVSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)CC[NH2+]Cc2ccc(Cl)cc2)C1 ZINC001267429383 1078845801 /nfs/dbraw/zinc/84/58/01/1078845801.db2.gz ZTWHUQMYUGLIIR-AWEZNQCLSA-N 1 3 323.868 2.230 20 0 DEADHO CN(C)Cc1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1C(F)(F)F ZINC001573863599 1069122874 /nfs/dbraw/zinc/12/28/74/1069122874.db2.gz GLYOSXXURZQPMH-CYBMUJFWSA-N 1 3 315.339 2.458 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCC[C@@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001272419848 1078859095 /nfs/dbraw/zinc/85/90/95/1078859095.db2.gz ISQJCMRADDMBSJ-WMZOPIPTSA-N 1 3 309.498 2.299 20 0 DEADHO CC[C@H](C)C[N@H+]1CCC[C@@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001272419848 1078859102 /nfs/dbraw/zinc/85/91/02/1078859102.db2.gz ISQJCMRADDMBSJ-WMZOPIPTSA-N 1 3 309.498 2.299 20 0 DEADHO CCc1cccc(C[NH2+]CCN(C)C(=O)[C@H](CC)N(C)C)c1 ZINC001267456637 1078865170 /nfs/dbraw/zinc/86/51/70/1078865170.db2.gz DZYBGPMUXFDQJE-KRWDZBQOSA-N 1 3 305.466 2.137 20 0 DEADHO CN(C)Cc1cccc(C(=O)N(C)CC[NH2+]CCC2CC2)c1 ZINC001267474456 1078895918 /nfs/dbraw/zinc/89/59/18/1078895918.db2.gz SOFJQUIKLNCQMW-UHFFFAOYSA-N 1 3 303.450 2.210 20 0 DEADHO Cc1ccc(C[N@@H+](C)CCNC(=O)CN(C)C(C)C)c(C)c1 ZINC001480952085 1078903716 /nfs/dbraw/zinc/90/37/16/1078903716.db2.gz WBNLVDOPMUXFMI-UHFFFAOYSA-N 1 3 305.466 2.192 20 0 DEADHO Cc1ccc(C[N@H+](C)CCNC(=O)CN(C)C(C)C)c(C)c1 ZINC001480952085 1078903721 /nfs/dbraw/zinc/90/37/21/1078903721.db2.gz WBNLVDOPMUXFMI-UHFFFAOYSA-N 1 3 305.466 2.192 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001544170004 1072520148 /nfs/dbraw/zinc/52/01/48/1072520148.db2.gz UBPOJUWEWZLEMV-ZIAGYGMSSA-N 1 3 306.454 2.135 20 0 DEADHO CN(C)CCN1CCC2(CC[NH+](CCC(C)(C)C)CC2)C1=O ZINC001272495086 1078924855 /nfs/dbraw/zinc/92/48/55/1078924855.db2.gz GRAQVKOGBGSRRV-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO [NH3+]CC1([C@H]2CCCCN2C(=O)c2cccc3c2CNC3)CCC1 ZINC001548588421 1072702024 /nfs/dbraw/zinc/70/20/24/1072702024.db2.gz FMTWFNGLCQNNIV-QGZVFWFLSA-N 1 3 313.445 2.414 20 0 DEADHO CCCN(C(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@@H+]2C1)[C@@H]1CCN(C)C1 ZINC001548724422 1072841898 /nfs/dbraw/zinc/84/18/98/1072841898.db2.gz LYUJSMPEJDYTJM-QBPKDAKJSA-N 1 3 307.482 2.050 20 0 DEADHO CCCN(C(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@H+]2C1)[C@@H]1CCN(C)C1 ZINC001548724422 1072841908 /nfs/dbraw/zinc/84/19/08/1072841908.db2.gz LYUJSMPEJDYTJM-QBPKDAKJSA-N 1 3 307.482 2.050 20 0 DEADHO O[C@@H]1CCN(CCC[N@@H+]2CC[C@@H](O)C23CCCC3)C12CCCC2 ZINC001645801362 1079002174 /nfs/dbraw/zinc/00/21/74/1079002174.db2.gz HBMAESBMPVJXLN-IAGOWNOFSA-N 1 3 322.493 2.135 20 0 DEADHO O[C@@H]1CCN(CCC[N@H+]2CC[C@@H](O)C23CCCC3)C12CCCC2 ZINC001645801362 1079002178 /nfs/dbraw/zinc/00/21/78/1079002178.db2.gz HBMAESBMPVJXLN-IAGOWNOFSA-N 1 3 322.493 2.135 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@H]1CN(C)C[C@@H]1c1ccccc1 ZINC001549034517 1072990034 /nfs/dbraw/zinc/99/00/34/1072990034.db2.gz AJORDTCQLFCNKH-QOJCHSLYSA-N 1 3 313.489 2.404 20 0 DEADHO c1nc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)cc2c1OCO2 ZINC001549180382 1073052202 /nfs/dbraw/zinc/05/22/02/1073052202.db2.gz ZAOUSRSURANRHQ-AWEZNQCLSA-N 1 3 303.406 2.022 20 0 DEADHO COc1cc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ncc1C ZINC001549284312 1073111335 /nfs/dbraw/zinc/11/13/35/1073111335.db2.gz RDGBHIMKPLJYDN-HDMKZQKVSA-N 1 3 319.449 2.117 20 0 DEADHO O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccccc1)c1cccc2c1CNC2 ZINC001549296925 1073115658 /nfs/dbraw/zinc/11/56/58/1073115658.db2.gz URSCJUNJAFFBTF-LPHOPBHVSA-N 1 3 321.424 2.165 20 0 DEADHO CN(C)[C@H](CNC(=O)[C@H]([NH3+])C1CCCCC1)c1ccccc1 ZINC001645892254 1079040283 /nfs/dbraw/zinc/04/02/83/1079040283.db2.gz BGTIFCHVTOAIFB-IAGOWNOFSA-N 1 3 303.450 2.313 20 0 DEADHO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCCN(C)C2)[C@@H](n2cncn2)C1 ZINC001549547491 1073188954 /nfs/dbraw/zinc/18/89/54/1073188954.db2.gz VPAZKGDKQJJFLM-NCOADZHNSA-N 1 3 305.470 2.329 20 0 DEADHO CCN1CCCN(C(=O)Nc2ccc([C@H]3C[C@H]3[NH3+])cc2)CC1 ZINC001549785918 1073267215 /nfs/dbraw/zinc/26/72/15/1073267215.db2.gz BYJOONCCMPRMEP-HZPDHXFCSA-N 1 3 302.422 2.061 20 0 DEADHO CC(C)=CC[NH2+]C1(CNC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001483773177 1079104608 /nfs/dbraw/zinc/10/46/08/1079104608.db2.gz GPQCTJZMEXUVAY-MRXNPFEDSA-N 1 3 307.482 2.456 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)C[C@H]3CCC[C@@H]3[NH3+])C2)cc1 ZINC001550101547 1073427387 /nfs/dbraw/zinc/42/73/87/1073427387.db2.gz WWMDUYABMJLJCG-SQNIBIBYSA-N 1 3 315.461 2.203 20 0 DEADHO CCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001649434776 1079117678 /nfs/dbraw/zinc/11/76/78/1079117678.db2.gz JEHAHHQDTYAIBA-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CC1)N1CCCC1 ZINC001481051797 1079129409 /nfs/dbraw/zinc/12/94/09/1079129409.db2.gz HMLDJKHLAOQEBA-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CCC[N@H+]1CCC1CC1)N1CCCC1 ZINC001481051797 1079129421 /nfs/dbraw/zinc/12/94/21/1079129421.db2.gz HMLDJKHLAOQEBA-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3ccc(C)cn3)C2)[C@H]1C(C)C ZINC001550424124 1073648821 /nfs/dbraw/zinc/64/88/21/1073648821.db2.gz YGGBOXNHJLJSCK-OKYOBFRVSA-N 1 3 317.477 2.349 20 0 DEADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3ccc(C)cn3)C2)[C@H]1C(C)C ZINC001550424124 1073648825 /nfs/dbraw/zinc/64/88/25/1073648825.db2.gz YGGBOXNHJLJSCK-OKYOBFRVSA-N 1 3 317.477 2.349 20 0 DEADHO CCC1(N2CCOCC2)CCN(c2cc(N)[nH+]cc2Cl)CC1 ZINC001550635695 1073760854 /nfs/dbraw/zinc/76/08/54/1073760854.db2.gz PEKDRIMOEHZJEE-UHFFFAOYSA-N 1 3 324.856 2.398 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](Nc1cc(N)ncc1Cl)C2 ZINC001550646065 1073768173 /nfs/dbraw/zinc/76/81/73/1073768173.db2.gz GTZBBQHOBQODAR-SDADXPQNSA-N 1 3 324.856 2.209 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](Nc1cc(N)ncc1Cl)C2 ZINC001550646065 1073768175 /nfs/dbraw/zinc/76/81/75/1073768175.db2.gz GTZBBQHOBQODAR-SDADXPQNSA-N 1 3 324.856 2.209 20 0 DEADHO Nc1c(F)cccc1CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC001550705659 1073817426 /nfs/dbraw/zinc/81/74/26/1073817426.db2.gz ZIYUHWHQJUOEDM-DOTOQJQBSA-N 1 3 307.413 2.126 20 0 DEADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@H+](CCCCCF)C2)CCC1 ZINC001481095887 1079178636 /nfs/dbraw/zinc/17/86/36/1079178636.db2.gz NYBPZHUQFVYMGO-HNNXBMFYSA-N 1 3 313.461 2.049 20 0 DEADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@@H+](CCCCCF)C2)CCC1 ZINC001481095887 1079178639 /nfs/dbraw/zinc/17/86/39/1079178639.db2.gz NYBPZHUQFVYMGO-HNNXBMFYSA-N 1 3 313.461 2.049 20 0 DEADHO Cc1nn(C)c(C)c1C[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001551237405 1074127402 /nfs/dbraw/zinc/12/74/02/1074127402.db2.gz HENPRPXRCMLTBH-UHFFFAOYSA-N 1 3 320.481 2.160 20 0 DEADHO C[C@H](O)c1ncc(CN2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)s1 ZINC001551260325 1074138263 /nfs/dbraw/zinc/13/82/63/1074138263.db2.gz JZZLNMTVMVMPGE-XUXIUFHCSA-N 1 3 309.479 2.359 20 0 DEADHO C[NH2+][C@H](C)CCNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001649837117 1079252245 /nfs/dbraw/zinc/25/22/45/1079252245.db2.gz MHEIDHVTVAMIGN-BFYDXBDKSA-N 1 3 318.465 2.119 20 0 DEADHO COc1cccc(N2CCC([NH2+][C@@H]3CCC[C@@H]3CN)CC2)c1 ZINC001649839061 1079253921 /nfs/dbraw/zinc/25/39/21/1079253921.db2.gz NMAJCNGHXSNIHO-RDTXWAMCSA-N 1 3 303.450 2.381 20 0 DEADHO CN(C(=O)[C@@H]1CCCC[NH2+]C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001552394900 1074566515 /nfs/dbraw/zinc/56/65/15/1074566515.db2.gz BIVHCZGXPVQHFP-QZTJIDSGSA-N 1 3 315.461 2.109 20 0 DEADHO N[C@H](C(=O)Nc1ccc(OCC[NH3+])cc1)C1CCCCCC1 ZINC001646744137 1074593522 /nfs/dbraw/zinc/59/35/22/1074593522.db2.gz NOCAXQDMRLBIFA-INIZCTEOSA-N 1 3 305.422 2.260 20 0 DEADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H]2CCCO[C@H]2c2ccnn2C)C1 ZINC001552526839 1074596938 /nfs/dbraw/zinc/59/69/38/1074596938.db2.gz LAZRAKIZSFOXLR-LZLYRXPVSA-N 1 3 320.481 2.161 20 0 DEADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCCO[C@H]2c2ccnn2C)C1 ZINC001552526839 1074596946 /nfs/dbraw/zinc/59/69/46/1074596946.db2.gz LAZRAKIZSFOXLR-LZLYRXPVSA-N 1 3 320.481 2.161 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C[C@H]2CCCO[C@H]2c2ccnn2C)C1 ZINC001552526839 1074596955 /nfs/dbraw/zinc/59/69/55/1074596955.db2.gz LAZRAKIZSFOXLR-LZLYRXPVSA-N 1 3 320.481 2.161 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@H]2CCCO[C@H]2c2ccnn2C)C1 ZINC001552526839 1074596964 /nfs/dbraw/zinc/59/69/64/1074596964.db2.gz LAZRAKIZSFOXLR-LZLYRXPVSA-N 1 3 320.481 2.161 20 0 DEADHO CC1(C)[C@H](NC(=O)C[C@H]2NCc3ccccc32)[C@H]2CCC[NH2+][C@H]21 ZINC001552920278 1074695136 /nfs/dbraw/zinc/69/51/36/1074695136.db2.gz MJMLUIAECAAVCX-BURFUSLBSA-N 1 3 313.445 2.114 20 0 DEADHO Cn1cncc1[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCCN[C@H]3C2(C)C)CCO1 ZINC001553025365 1074740703 /nfs/dbraw/zinc/74/07/03/1074740703.db2.gz CZCCAPHRDGFUFK-PNDGYWDASA-N 1 3 318.465 2.006 20 0 DEADHO Cn1cncc1[C@@H]1C[C@H](N[C@@H]2[C@H]3CCC[NH2+][C@H]3C2(C)C)CCO1 ZINC001553025365 1074740708 /nfs/dbraw/zinc/74/07/08/1074740708.db2.gz CZCCAPHRDGFUFK-PNDGYWDASA-N 1 3 318.465 2.006 20 0 DEADHO CC1(C)[C@@H]2NCCC[C@@H]2[C@@H]1[NH2+]C1CCN(c2nccs2)CC1 ZINC001553026856 1074741369 /nfs/dbraw/zinc/74/13/69/1074741369.db2.gz ZANQKAGFTKIQFA-ZNMIVQPWSA-N 1 3 320.506 2.478 20 0 DEADHO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)N1CCN(C2CCCC2)CC1 ZINC001647085862 1074786044 /nfs/dbraw/zinc/78/60/44/1074786044.db2.gz OMVRKCXKSAWREQ-SJORKVTESA-N 1 3 322.497 2.129 20 0 DEADHO O[C@@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC12CC2 ZINC001647148495 1074816742 /nfs/dbraw/zinc/81/67/42/1074816742.db2.gz KIEWQFKVWVKUED-GOSISDBHSA-N 1 3 316.445 2.118 20 0 DEADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001649286719 1075019495 /nfs/dbraw/zinc/01/94/95/1075019495.db2.gz PXRWQDJFZYAFAP-DZGCQCFKSA-N 1 3 322.497 2.031 20 0 DEADHO CN(CCCNC(=O)C(C)(C)[NH+]1CCCC1)CCC(F)(F)F ZINC001566480845 1075255403 /nfs/dbraw/zinc/25/54/03/1075255403.db2.gz WGKZIZZWOFOZII-UHFFFAOYSA-N 1 3 323.403 2.251 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCN1C ZINC001481216391 1079417656 /nfs/dbraw/zinc/41/76/56/1079417656.db2.gz ZTJOOOPIYOOKDF-WBVHZDCISA-N 1 3 303.450 2.198 20 0 DEADHO CN(CC[NH2+]Cc1ccc(CF)cc1)C(=O)CN(C)C1CCC1 ZINC001481240678 1079452539 /nfs/dbraw/zinc/45/25/39/1079452539.db2.gz UMXPSMCEWVUIAQ-UHFFFAOYSA-N 1 3 321.440 2.188 20 0 DEADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2cccc3nsnc32)CC1 ZINC001580384389 1075913885 /nfs/dbraw/zinc/91/38/85/1075913885.db2.gz BTTWZBLMWUHAOU-CJNGLKHVSA-N 1 3 318.446 2.020 20 0 DEADHO O[C@H](CN1CCC[C@@H]1c1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001580877895 1076010928 /nfs/dbraw/zinc/01/09/28/1076010928.db2.gz GKPCEUMCNBQCDR-IAGOWNOFSA-N 1 3 310.388 2.462 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]CCc1ccccc1 ZINC001369316001 1148897737 /nfs/dbraw/zinc/89/77/37/1148897737.db2.gz VQFGECMUWUNHDK-MRXNPFEDSA-N 1 3 305.466 2.006 20 0 DEADHO C[C@H]([NH2+]CCCF)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001484346783 1079554827 /nfs/dbraw/zinc/55/48/27/1079554827.db2.gz CQANTJDKQLDVBG-LSDHHAIUSA-N 1 3 315.477 2.151 20 0 DEADHO N[C@@H](CC(=O)N1CCC2(CCC[C@H]2C[NH3+])CC1)c1ccccc1 ZINC001650437614 1079623182 /nfs/dbraw/zinc/62/31/82/1079623182.db2.gz HXTKJNYLTKOXRX-IRXDYDNUSA-N 1 3 315.461 2.444 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001650555353 1079716474 /nfs/dbraw/zinc/71/64/74/1079716474.db2.gz YLHLUEMQODNSJG-CQSZACIVSA-N 1 3 310.486 2.033 20 0 DEADHO CCC1([NH2+]CC2CC2)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001484816838 1079811393 /nfs/dbraw/zinc/81/13/93/1079811393.db2.gz QCKOFYHABMIIHT-MRXNPFEDSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](NCc1ccccc1F)[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001485185453 1080044930 /nfs/dbraw/zinc/04/49/30/1080044930.db2.gz FKJZGGFFRHKKBZ-ZIAGYGMSSA-N 1 3 309.429 2.150 20 0 DEADHO CCCCCCN1CC[C@@H]1CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001656103148 1080045493 /nfs/dbraw/zinc/04/54/93/1080045493.db2.gz XPMBNFNVQBISDQ-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCCCCN1CC[C@@H]1CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001656103148 1080045497 /nfs/dbraw/zinc/04/54/97/1080045497.db2.gz XPMBNFNVQBISDQ-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@H]1CC[NH2+]CCC1CC1)N(C)C ZINC001268154875 1080128062 /nfs/dbraw/zinc/12/80/62/1080128062.db2.gz UBHDPXGDBKIXCE-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001268161242 1080138140 /nfs/dbraw/zinc/13/81/40/1080138140.db2.gz YHMFMMCGOWPCBZ-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CCCCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001268193795 1080180433 /nfs/dbraw/zinc/18/04/33/1080180433.db2.gz XGRQEBNXYUTING-GDBMZVCRSA-N 1 3 306.454 2.359 20 0 DEADHO Cc1cc(F)ccc1CN(C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485383818 1080187266 /nfs/dbraw/zinc/18/72/66/1080187266.db2.gz OMJCBOXFZBQLEU-GDBMZVCRSA-N 1 3 321.440 2.022 20 0 DEADHO Cc1cc(F)ccc1CN(C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001485383818 1080187271 /nfs/dbraw/zinc/18/72/71/1080187271.db2.gz OMJCBOXFZBQLEU-GDBMZVCRSA-N 1 3 321.440 2.022 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC000076198559 1080295880 /nfs/dbraw/zinc/29/58/80/1080295880.db2.gz LNBLVPOXWBUWHW-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[N@H+](C)CC1CCC1 ZINC001660321712 1080309467 /nfs/dbraw/zinc/30/94/67/1080309467.db2.gz KPHTUZVWQHMJCK-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)CC1CCC1 ZINC001660321712 1080309477 /nfs/dbraw/zinc/30/94/77/1080309477.db2.gz KPHTUZVWQHMJCK-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)NCCC[N@H+](C)[C@H]1CCc2ccccc21)N(C)C ZINC001660368596 1080319425 /nfs/dbraw/zinc/31/94/25/1080319425.db2.gz HLNYNWSXGSFKPO-ROUUACIJSA-N 1 3 317.477 2.452 20 0 DEADHO CC[C@@H](C(=O)NCCC[N@@H+](C)[C@H]1CCc2ccccc21)N(C)C ZINC001660368596 1080319432 /nfs/dbraw/zinc/31/94/32/1080319432.db2.gz HLNYNWSXGSFKPO-ROUUACIJSA-N 1 3 317.477 2.452 20 0 DEADHO CCC(CC)C[NH2+]C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001485686011 1080367828 /nfs/dbraw/zinc/36/78/28/1080367828.db2.gz FCFVIYGJKKWOCK-WKILWMFISA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H](F)CC[NH2+]CC[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001268364063 1080376568 /nfs/dbraw/zinc/37/65/68/1080376568.db2.gz APSIQVNOUIVPAZ-HUUCEWRRSA-N 1 3 315.477 2.483 20 0 DEADHO C[C@@H](F)CC[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001485695605 1080379831 /nfs/dbraw/zinc/37/98/31/1080379831.db2.gz IGTXQZVOHJECNQ-RBSFLKMASA-N 1 3 315.477 2.197 20 0 DEADHO CN1C[C@@H]2CC[C@@H]([NH2+]CCCc3ccc4c(c3)CCO4)[C@H]2C1 ZINC001660929600 1080417283 /nfs/dbraw/zinc/41/72/83/1080417283.db2.gz XCBLUSVRNIUJIK-OKZBNKHCSA-N 1 3 300.446 2.484 20 0 DEADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccccc1 ZINC001481820032 1080527524 /nfs/dbraw/zinc/52/75/24/1080527524.db2.gz ISEKSENWQJAIHS-INIZCTEOSA-N 1 3 303.450 2.155 20 0 DEADHO CCN(CCNC/C=C/Cl)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001268461736 1080532167 /nfs/dbraw/zinc/53/21/67/1080532167.db2.gz JKJOVXRJPUBHJF-PMGBHYCQSA-N 1 3 315.889 2.297 20 0 DEADHO CCN(CCNC/C=C/Cl)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001268461736 1080532173 /nfs/dbraw/zinc/53/21/73/1080532173.db2.gz JKJOVXRJPUBHJF-PMGBHYCQSA-N 1 3 315.889 2.297 20 0 DEADHO CCN(CCNC/C=C/Cl)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001268491650 1080624599 /nfs/dbraw/zinc/62/45/99/1080624599.db2.gz RLCWZIPUJCLETD-SIEMXDPISA-N 1 3 315.889 2.297 20 0 DEADHO CN(CC(=O)NCCC1CC[NH+](CCCF)CC1)C1CCC1 ZINC001482042014 1080736913 /nfs/dbraw/zinc/73/69/13/1080736913.db2.gz BFWPGTXNGVYIQT-UHFFFAOYSA-N 1 3 313.461 2.049 20 0 DEADHO CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)CC1=CCCCC1 ZINC001663422355 1080745854 /nfs/dbraw/zinc/74/58/54/1080745854.db2.gz GKBBOEHZGFLVPR-INIZCTEOSA-N 1 3 307.482 2.267 20 0 DEADHO CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)CC1=CCCCC1 ZINC001663422355 1080745861 /nfs/dbraw/zinc/74/58/61/1080745861.db2.gz GKBBOEHZGFLVPR-INIZCTEOSA-N 1 3 307.482 2.267 20 0 DEADHO C[C@@H]([NH2+]C/C=C\CNC(=O)[C@H]1CCCN1C)c1ccccc1 ZINC001268572754 1080781341 /nfs/dbraw/zinc/78/13/41/1080781341.db2.gz CCLJOUFIWCMOBM-IKJDWHLJSA-N 1 3 301.434 2.104 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)CC[NH2+]CCc1ccccc1F)N(C)C ZINC001663995236 1080847503 /nfs/dbraw/zinc/84/75/03/1080847503.db2.gz AQWMPBFMABNADM-KRWDZBQOSA-N 1 3 323.456 2.002 20 0 DEADHO CC(C)N(C)CC(=O)NC/C=C\C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001268629969 1080904129 /nfs/dbraw/zinc/90/41/29/1080904129.db2.gz BPYPQTRCSMYNAW-ZRUQZJFASA-N 1 3 317.424 2.024 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C/C=C\Cl ZINC001268706499 1080944602 /nfs/dbraw/zinc/94/46/02/1080944602.db2.gz KCEBHHAEFDVINZ-KQYOJSHESA-N 1 3 301.862 2.096 20 0 DEADHO C[C@@H]([NH2+]CCCN(C)C(=O)[C@H]1CCCN1C)c1ccc(F)cc1 ZINC001268784121 1080990118 /nfs/dbraw/zinc/99/01/18/1080990118.db2.gz RMMPEFVNNKXSDV-RHSMWYFYSA-N 1 3 321.440 2.419 20 0 DEADHO CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2CCC)CC1(C)C ZINC001284291518 1080997071 /nfs/dbraw/zinc/99/70/71/1080997071.db2.gz GZRXFDHBBXSKRX-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@H]1CC[NH2+]CCCF)N(C)C ZINC001667302322 1081234949 /nfs/dbraw/zinc/23/49/49/1081234949.db2.gz VDXKAWNGHYRAMR-LSDHHAIUSA-N 1 3 301.450 2.047 20 0 DEADHO CC(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001269791475 1081367283 /nfs/dbraw/zinc/36/72/83/1081367283.db2.gz QKJJQEAQPQHNDH-IRXDYDNUSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC(CC[NH2+]CC2CC2)CC1)N(C)C ZINC001269871229 1081387155 /nfs/dbraw/zinc/38/71/55/1081387155.db2.gz SLPJGWAZYQZLJY-KRWDZBQOSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)(C(=O)NC/C=C\CNC/C=C/Cl)[NH+]1CCCCC1 ZINC001668828330 1081401983 /nfs/dbraw/zinc/40/19/83/1081401983.db2.gz PDHFMYVQURKGMG-FTGFODROSA-N 1 3 313.873 2.265 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\CNC/C=C/Cl ZINC001669074736 1081425659 /nfs/dbraw/zinc/42/56/59/1081425659.db2.gz CQYOGALGRXZCSQ-SKEQWTJYSA-N 1 3 313.873 2.264 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\CNC/C=C/Cl ZINC001669074736 1081425662 /nfs/dbraw/zinc/42/56/62/1081425662.db2.gz CQYOGALGRXZCSQ-SKEQWTJYSA-N 1 3 313.873 2.264 20 0 DEADHO CCc1ccc(C[NH2+]C/C=C/CNC(=O)CN2CCCC2)cc1 ZINC001669188342 1081436558 /nfs/dbraw/zinc/43/65/58/1081436558.db2.gz DYJDWDVQHOJWPY-ONEGZZNKSA-N 1 3 315.461 2.107 20 0 DEADHO CC(C)=CC[NH2+]C[C@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001270159156 1081462929 /nfs/dbraw/zinc/46/29/29/1081462929.db2.gz NCNCQOXRHMQJPZ-QGZVFWFLSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC1CC(C)(C)C1)N(C)C ZINC001482294574 1081544224 /nfs/dbraw/zinc/54/42/24/1081544224.db2.gz GWDBJWLGGGMHKK-ZBFHGGJFSA-N 1 3 311.514 2.445 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CCCCCF)CCN1C(=O)CN1CCCC1 ZINC001671256849 1081589060 /nfs/dbraw/zinc/58/90/60/1081589060.db2.gz LKKQYOOMAMAOBL-HOTGVXAUSA-N 1 3 313.461 2.191 20 0 DEADHO CC[NH2+]CC[C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001672864391 1081714501 /nfs/dbraw/zinc/71/45/01/1081714501.db2.gz YXRAOYSNLZWDMU-YOEHRIQHSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCCCCF)[C@H](C)C1 ZINC001482439369 1081829847 /nfs/dbraw/zinc/82/98/47/1081829847.db2.gz PBURHGHRJIUILU-CVEARBPZSA-N 1 3 315.477 2.293 20 0 DEADHO C[C@H](C[NH2+]CCC1=CCCCC1)N(C)C(=O)[C@H]1CCCN1C ZINC001270921888 1081839363 /nfs/dbraw/zinc/83/93/63/1081839363.db2.gz PVHAVMUFAIMWOM-NVXWUHKLSA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@H+](CCCCCF)[C@@H](C)C1 ZINC001674156803 1081849178 /nfs/dbraw/zinc/84/91/78/1081849178.db2.gz WTLWHORMPVBLAU-HOTGVXAUSA-N 1 3 315.477 2.436 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@@H+](CCCCCF)[C@@H](C)C1 ZINC001674156803 1081849181 /nfs/dbraw/zinc/84/91/81/1081849181.db2.gz WTLWHORMPVBLAU-HOTGVXAUSA-N 1 3 315.477 2.436 20 0 DEADHO CC/C=C/CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001674441365 1081872169 /nfs/dbraw/zinc/87/21/69/1081872169.db2.gz YINKZQZHBMVULC-LZCSOBMZSA-N 1 3 307.482 2.360 20 0 DEADHO CC/C=C/CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001674441365 1081872170 /nfs/dbraw/zinc/87/21/70/1081872170.db2.gz YINKZQZHBMVULC-LZCSOBMZSA-N 1 3 307.482 2.360 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001271537746 1082075528 /nfs/dbraw/zinc/07/55/28/1082075528.db2.gz HYJGDXDKBZOKEF-CALCHBBNSA-N 1 3 321.509 2.441 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001271537746 1082075536 /nfs/dbraw/zinc/07/55/36/1082075536.db2.gz HYJGDXDKBZOKEF-CALCHBBNSA-N 1 3 321.509 2.441 20 0 DEADHO Cc1ccc(C)c(CN(C)CCN(C)C(=O)CC[NH+](C)C)c1 ZINC001482624929 1082419520 /nfs/dbraw/zinc/41/95/20/1082419520.db2.gz AVQQANMHQUWPHD-UHFFFAOYSA-N 1 3 305.466 2.145 20 0 DEADHO CCN(CC[NH2+]CCC(F)(F)F)C(=O)[C@@H]1CCCCN1CC ZINC001482970265 1082586449 /nfs/dbraw/zinc/58/64/49/1082586449.db2.gz QTHZNMJTJKZAAO-ZDUSSCGKSA-N 1 3 323.403 2.251 20 0 DEADHO CC[C@@H]([NH2+]C/C=C/CNC(=O)CN1CCCC1)c1ccccc1 ZINC001483093681 1082704408 /nfs/dbraw/zinc/70/44/08/1082704408.db2.gz SJZXFJOCZMKNMZ-IPLHWJFFSA-N 1 3 315.461 2.496 20 0 DEADHO Cc1ccc(C[NH2+]C/C=C/CNC(=O)CN(C)C(C)C)c(C)c1 ZINC001483098910 1082707804 /nfs/dbraw/zinc/70/78/04/1082707804.db2.gz UNBUTAHNSFEKEC-VOTSOKGWSA-N 1 3 317.477 2.406 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)CN2CC[C@@H](C)C2)c(C)c1 ZINC001483166452 1082784444 /nfs/dbraw/zinc/78/44/44/1082784444.db2.gz IQYAQTCYDGYISW-NVXWUHKLSA-N 1 3 317.477 2.240 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)Cc1cccc(Cl)c1 ZINC001409681053 1083018280 /nfs/dbraw/zinc/01/82/80/1083018280.db2.gz LXGBGGWWCMZFHS-HIFRSBDPSA-N 1 3 323.868 2.228 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)Cc1cccc(Cl)c1 ZINC001409681053 1083018282 /nfs/dbraw/zinc/01/82/82/1083018282.db2.gz LXGBGGWWCMZFHS-HIFRSBDPSA-N 1 3 323.868 2.228 20 0 DEADHO CCCCC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)CCC)CC[C@@H]21 ZINC001496867730 1083056082 /nfs/dbraw/zinc/05/60/82/1083056082.db2.gz LTMDAZVTUOWSSP-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO CCCCC[N@H+]1CC[C@H]2CN(C(=O)CN(C)CCC)CC[C@@H]21 ZINC001496867730 1083056088 /nfs/dbraw/zinc/05/60/88/1083056088.db2.gz LTMDAZVTUOWSSP-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO COc1cccc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC001413132982 1083382324 /nfs/dbraw/zinc/38/23/24/1083382324.db2.gz NGPZUSSWWZSUTP-MSOLQXFVSA-N 1 3 304.434 2.163 20 0 DEADHO CN(C)C(=O)CN1CCCC2(CC[NH+](CCC3CC3)CC2)C1 ZINC001276514054 1083477808 /nfs/dbraw/zinc/47/78/08/1083477808.db2.gz VFSGYICGUQZWBR-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO CN(C)c1ccc(CN2[C@@H]3CC[C@H]2CN(CC[NH+](C)C)C3)s1 ZINC001276631069 1083524414 /nfs/dbraw/zinc/52/44/14/1083524414.db2.gz HQXQGVQKMWGWSO-GASCZTMLSA-N 1 3 322.522 2.024 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN1CCC1=CCCCC1 ZINC001276950238 1083696882 /nfs/dbraw/zinc/69/68/82/1083696882.db2.gz QMEGYTUFHBABPH-QGZVFWFLSA-N 1 3 307.482 2.409 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN1CCC1=CCCCC1 ZINC001276950238 1083696886 /nfs/dbraw/zinc/69/68/86/1083696886.db2.gz QMEGYTUFHBABPH-QGZVFWFLSA-N 1 3 307.482 2.409 20 0 DEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCCN2C)C1 ZINC001413713718 1083893937 /nfs/dbraw/zinc/89/39/37/1083893937.db2.gz IWVIEZRZPUBFIS-CVEARBPZSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCCN2C)C1 ZINC001413713718 1083893944 /nfs/dbraw/zinc/89/39/44/1083893944.db2.gz IWVIEZRZPUBFIS-CVEARBPZSA-N 1 3 324.513 2.280 20 0 DEADHO CCCCCCN(C)CC(=O)NCCC[NH2+]Cc1cnoc1C ZINC001168595147 1084112131 /nfs/dbraw/zinc/11/21/31/1084112131.db2.gz GEYZKFSNZVKAOW-UHFFFAOYSA-N 1 3 324.469 2.091 20 0 DEADHO CC[C@@H](C)C[C@@H](N)C(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001649108469 1084125327 /nfs/dbraw/zinc/12/53/27/1084125327.db2.gz MGPVOEPULOFTDY-NVXWUHKLSA-N 1 3 317.477 2.269 20 0 DEADHO CN(C)C(=O)CN1CCCC2(CC[NH+](C3CCCC3)CC2)C1 ZINC001277929260 1084338090 /nfs/dbraw/zinc/33/80/90/1084338090.db2.gz PXECYHAXJPGBJD-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[NH2+]C[C@H]1CCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001277940478 1084411518 /nfs/dbraw/zinc/41/15/18/1084411518.db2.gz HRJARPXUTUBRTQ-PBHICJAKSA-N 1 3 313.461 2.190 20 0 DEADHO CN(Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](CCCO)CC2 ZINC001235559650 1084467173 /nfs/dbraw/zinc/46/71/73/1084467173.db2.gz NWGGABPWTGSCDZ-SFHVURJKSA-N 1 3 318.461 2.124 20 0 DEADHO O=C1[C@H]2CN(CC[C@H]3CCCC[NH2+]3)C[C@H]2CN1c1ccccc1 ZINC001235588033 1084473112 /nfs/dbraw/zinc/47/31/12/1084473112.db2.gz OKWRHQBKCUWVFK-JZXOWHBKSA-N 1 3 313.445 2.113 20 0 DEADHO CC(C)(CO)C[NH+]1CCC2(CCCN(Cc3cn[nH]c3)C2)CC1 ZINC001277963706 1084508216 /nfs/dbraw/zinc/50/82/16/1084508216.db2.gz QTAVQZITXQSAML-UHFFFAOYSA-N 1 3 320.481 2.106 20 0 DEADHO CCSc1ccccc1CN1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001236078514 1084607226 /nfs/dbraw/zinc/60/72/26/1084607226.db2.gz IJTRDUSZIKGDGN-INIZCTEOSA-N 1 3 305.491 2.406 20 0 DEADHO Cc1ccc(OC(C)C)c(CN2CCC[C@H](N3CC([NH3+])C3)C2)c1 ZINC001236079906 1084607993 /nfs/dbraw/zinc/60/79/93/1084607993.db2.gz TUYLBYSNEVYNKI-SFHVURJKSA-N 1 3 317.477 2.390 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001485946583 1085012808 /nfs/dbraw/zinc/01/28/08/1085012808.db2.gz GCQQIQJNZOJJCW-TZMCWYRMSA-N 1 3 319.440 2.054 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCC3)C[C@H]21 ZINC000960174733 1085138432 /nfs/dbraw/zinc/13/84/32/1085138432.db2.gz LMRSZLMNEMBQJH-XDNAFOTISA-N 1 3 319.493 2.097 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21 ZINC000960174733 1085138437 /nfs/dbraw/zinc/13/84/37/1085138437.db2.gz LMRSZLMNEMBQJH-XDNAFOTISA-N 1 3 319.493 2.097 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccccc1CN(C)C ZINC000961027662 1085540981 /nfs/dbraw/zinc/54/09/81/1085540981.db2.gz OFNWOUUXZZUZLJ-INIZCTEOSA-N 1 3 303.450 2.305 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccccc1CN(C)C ZINC000961027662 1085540992 /nfs/dbraw/zinc/54/09/92/1085540992.db2.gz OFNWOUUXZZUZLJ-INIZCTEOSA-N 1 3 303.450 2.305 20 0 DEADHO CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961182307 1085628714 /nfs/dbraw/zinc/62/87/14/1085628714.db2.gz LBGYJNADXBXVCA-IRXDYDNUSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961182307 1085628718 /nfs/dbraw/zinc/62/87/18/1085628718.db2.gz LBGYJNADXBXVCA-IRXDYDNUSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CC3)C[C@H]21 ZINC000961942968 1085916475 /nfs/dbraw/zinc/91/64/75/1085916475.db2.gz FAQMBBMINJWFCG-XWTMOSNGSA-N 1 3 319.493 2.096 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CC3)C[C@H]21 ZINC000961942968 1085916480 /nfs/dbraw/zinc/91/64/80/1085916480.db2.gz FAQMBBMINJWFCG-XWTMOSNGSA-N 1 3 319.493 2.096 20 0 DEADHO CC(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C(C)C ZINC000961946725 1085917026 /nfs/dbraw/zinc/91/70/26/1085917026.db2.gz QHECPWRJPDPXMI-XDNAFOTISA-N 1 3 321.509 2.342 20 0 DEADHO CC(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C(C)C ZINC000961946725 1085917038 /nfs/dbraw/zinc/91/70/38/1085917038.db2.gz QHECPWRJPDPXMI-XDNAFOTISA-N 1 3 321.509 2.342 20 0 DEADHO C[C@H]1CCN(CC(=O)NC2CC(C[NH2+]CC3CC(C)(C)C3)C2)C1 ZINC000962308169 1086060450 /nfs/dbraw/zinc/06/04/50/1086060450.db2.gz AFDFLEHVHDIFNF-UQPPLGOBSA-N 1 3 321.509 2.249 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC2CC(C[NH2+]Cc3ccsc3)C2)C1 ZINC000962310534 1086062342 /nfs/dbraw/zinc/06/23/42/1086062342.db2.gz XWWNMWKWSGIOAN-IUDNXUCKSA-N 1 3 321.490 2.074 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)CCNC/C(Cl)=C\Cl)[NH+](C)C ZINC001273131743 1086301070 /nfs/dbraw/zinc/30/10/70/1086301070.db2.gz WRFKTQCTSOZFGL-HIZVYSOWSA-N 1 3 324.296 2.376 20 0 DEADHO CC(C)C[NH2+]C1CCC(N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC000963901940 1086592578 /nfs/dbraw/zinc/59/25/78/1086592578.db2.gz DDKJWHJOQDIXLF-GTPINHCMSA-N 1 3 309.498 2.343 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001168762654 1087180519 /nfs/dbraw/zinc/18/05/19/1087180519.db2.gz FPVYOJHGVRQKFR-LBPRGKRZSA-N 1 3 324.296 2.008 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001168762659 1087182230 /nfs/dbraw/zinc/18/22/30/1087182230.db2.gz FSIWBLJJCRYDDV-CQSZACIVSA-N 1 3 309.429 2.324 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+][C@@H](C)c1cccc(OC)c1 ZINC001168763891 1087570322 /nfs/dbraw/zinc/57/03/22/1087570322.db2.gz SRVBMQBBRXEEIC-HNNXBMFYSA-N 1 3 321.465 2.194 20 0 DEADHO CC(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000957517338 1088370976 /nfs/dbraw/zinc/37/09/76/1088370976.db2.gz OGTQXSLZAVZCGY-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC[NH+]1CCC2(CCN(C(=O)CN3CCC(C)CC3)CC2)CC1 ZINC000957626384 1088471829 /nfs/dbraw/zinc/47/18/29/1088471829.db2.gz NORVDEOKCDSTHZ-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CC(C)[NH+]1CCC2(CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000957645351 1088492015 /nfs/dbraw/zinc/49/20/15/1088492015.db2.gz YRVZIVSLBAJJHH-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC001080037957 1088591547 /nfs/dbraw/zinc/59/15/47/1088591547.db2.gz WQCIKUKFUSMUPA-HZPDHXFCSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC001080037957 1088591557 /nfs/dbraw/zinc/59/15/57/1088591557.db2.gz WQCIKUKFUSMUPA-HZPDHXFCSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](C(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1C)N1CCCCCC1 ZINC001080554579 1089061332 /nfs/dbraw/zinc/06/13/32/1089061332.db2.gz WTOXFXDNGFNWJM-OWCLPIDISA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1C)N1CCCCCC1 ZINC001080554579 1089061349 /nfs/dbraw/zinc/06/13/49/1089061349.db2.gz WTOXFXDNGFNWJM-OWCLPIDISA-N 1 3 313.461 2.047 20 0 DEADHO CCC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)[C@H](CC)N(C)C)[C@@H]2C1 ZINC001114849181 1089149562 /nfs/dbraw/zinc/14/95/62/1089149562.db2.gz LPCSXSPWFDIMSN-SLXFAKMJSA-N 1 3 307.482 2.119 20 0 DEADHO CCC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)[C@H](CC)N(C)C)[C@@H]2C1 ZINC001114849181 1089149571 /nfs/dbraw/zinc/14/95/71/1089149571.db2.gz LPCSXSPWFDIMSN-SLXFAKMJSA-N 1 3 307.482 2.119 20 0 DEADHO CC[NH2+]C[C@H]1c2ccccc2CCN1C(=O)CN1CC[C@@H](C)C1 ZINC000958803424 1089192996 /nfs/dbraw/zinc/19/29/96/1089192996.db2.gz TVBJUIBQTZUMPS-QAPCUYQASA-N 1 3 315.461 2.064 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]CC2CCC2)C1 ZINC000960132742 1089977075 /nfs/dbraw/zinc/97/70/75/1089977075.db2.gz ZZWBZPDLEZVVMQ-RDJZCZTQSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]Cc1ccccc1 ZINC001082740614 1090067049 /nfs/dbraw/zinc/06/70/49/1090067049.db2.gz ACIZNBQVZSYPBS-SOLBZPMBSA-N 1 3 315.461 2.107 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCC2)C1 ZINC001082783374 1090078199 /nfs/dbraw/zinc/07/81/99/1090078199.db2.gz UGCFHOUQNRCMPL-NXHRZFHOSA-N 1 3 321.509 2.486 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCC(C)C)C[C@H]21 ZINC001084388045 1090287630 /nfs/dbraw/zinc/28/76/30/1090287630.db2.gz CQIGIDAFQWPKHX-FGTMMUONSA-N 1 3 321.509 2.440 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCC(C)C)C[C@H]21 ZINC001084388045 1090287636 /nfs/dbraw/zinc/28/76/36/1090287636.db2.gz CQIGIDAFQWPKHX-FGTMMUONSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@H](C(=O)N1C[C@H]2CC[N@H+](CC3CC3)C[C@H]21)N1CCCCCC1 ZINC001084701146 1090401792 /nfs/dbraw/zinc/40/17/92/1090401792.db2.gz QIBRQDAORMBDOA-KBAYOESNSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC3CC3)C[C@H]21)N1CCCCCC1 ZINC001084701146 1090401794 /nfs/dbraw/zinc/40/17/94/1090401794.db2.gz QIBRQDAORMBDOA-KBAYOESNSA-N 1 3 319.493 2.194 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)N3CCCC3)C[C@@H]21 ZINC001084998157 1090575652 /nfs/dbraw/zinc/57/56/52/1090575652.db2.gz XGBJGCHIXWFXJH-NJAFHUGGSA-N 1 3 319.493 2.194 20 0 DEADHO CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)N3CCCC3)C[C@@H]21 ZINC001084998157 1090575655 /nfs/dbraw/zinc/57/56/55/1090575655.db2.gz XGBJGCHIXWFXJH-NJAFHUGGSA-N 1 3 319.493 2.194 20 0 DEADHO CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)N3CCCCC3)C[C@@H]21 ZINC001085101544 1090645741 /nfs/dbraw/zinc/64/57/41/1090645741.db2.gz PVCVJDPWRXUCHJ-FGTMMUONSA-N 1 3 321.509 2.440 20 0 DEADHO CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)N3CCCCC3)C[C@@H]21 ZINC001085101544 1090645742 /nfs/dbraw/zinc/64/57/42/1090645742.db2.gz PVCVJDPWRXUCHJ-FGTMMUONSA-N 1 3 321.509 2.440 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)NC/C=C\CNCc2cccc(Cl)c2)C1 ZINC001274578589 1091306046 /nfs/dbraw/zinc/30/60/46/1091306046.db2.gz KJYARHNYNKUBTL-GWQWAINWSA-N 1 3 321.852 2.054 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)NC/C=C\CNCc2cccc(Cl)c2)C1 ZINC001274578589 1091306056 /nfs/dbraw/zinc/30/60/56/1091306056.db2.gz KJYARHNYNKUBTL-GWQWAINWSA-N 1 3 321.852 2.054 20 0 DEADHO c1c[nH]c(CN2C[C@@H]3CCN(CCC[NH+]4CCCCC4)[C@@H]3C2)c1 ZINC001276049292 1091487555 /nfs/dbraw/zinc/48/75/55/1091487555.db2.gz VANINTPIHZYGKU-PKOBYXMFSA-N 1 3 316.493 2.397 20 0 DEADHO CCC[C@H](C)C[N@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001275074614 1091542245 /nfs/dbraw/zinc/54/22/45/1091542245.db2.gz SKQSOIKNYGANBS-YESZJQIVSA-N 1 3 309.498 2.155 20 0 DEADHO CCC[C@H](C)C[N@@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001275074614 1091542255 /nfs/dbraw/zinc/54/22/55/1091542255.db2.gz SKQSOIKNYGANBS-YESZJQIVSA-N 1 3 309.498 2.155 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(C2CCCC2)[C@@H](C)C1 ZINC001412610740 1091585020 /nfs/dbraw/zinc/58/50/20/1091585020.db2.gz LTLHHHWHGVJODZ-XHSDSOJGSA-N 1 3 307.482 2.335 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN(C2CCCC2)[C@@H](C)C1 ZINC001412610740 1091585030 /nfs/dbraw/zinc/58/50/30/1091585030.db2.gz LTLHHHWHGVJODZ-XHSDSOJGSA-N 1 3 307.482 2.335 20 0 DEADHO c1coc(C[NH+]2CCC3(CN(CCn4ccnc4)C3)CC2)c1 ZINC001275236708 1091630879 /nfs/dbraw/zinc/63/08/79/1091630879.db2.gz YMUYNIXPBDMPPA-UHFFFAOYSA-N 1 3 300.406 2.074 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)[C@H](N)CC3CCCCC3)C[C@@H]2C1 ZINC001649143686 1091654642 /nfs/dbraw/zinc/65/46/42/1091654642.db2.gz WOSHUJIWCUJPEO-XMTFNYHQSA-N 1 3 321.509 2.473 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)[C@@H](N)CC3CCCCC3)C[C@@H]2C1 ZINC001649143685 1091654851 /nfs/dbraw/zinc/65/48/51/1091654851.db2.gz WOSHUJIWCUJPEO-XDNAFOTISA-N 1 3 321.509 2.473 20 0 DEADHO C[C@@H](C[NH2+]C/C=C\c1ccccc1)NC(=O)CN1CC[C@@H](C)C1 ZINC001275309625 1091663550 /nfs/dbraw/zinc/66/35/50/1091663550.db2.gz FYSDOWAJQCAYQU-NWTSWCFDSA-N 1 3 315.461 2.136 20 0 DEADHO Cc1ccc(CN2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)nc1 ZINC001275401032 1091718525 /nfs/dbraw/zinc/71/85/25/1091718525.db2.gz GNNOQTQFMHCRCB-UHFFFAOYSA-N 1 3 316.493 2.240 20 0 DEADHO Cc1ccc(CN2CCC3(CC[N@H+](CCN(C)C)C3)CC2)nc1 ZINC001275401032 1091718533 /nfs/dbraw/zinc/71/85/33/1091718533.db2.gz GNNOQTQFMHCRCB-UHFFFAOYSA-N 1 3 316.493 2.240 20 0 DEADHO CCC[C@H](COC)N(CCC(=O)OCC)[C@H](C)CC[NH2+]C ZINC001246889431 1091760550 /nfs/dbraw/zinc/76/05/50/1091760550.db2.gz DRNHOUIFRDNEQZ-HUUCEWRRSA-N 1 3 302.459 2.055 20 0 DEADHO CC/C=C/CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001671086641 1091764413 /nfs/dbraw/zinc/76/44/13/1091764413.db2.gz YVKYFCVDRBCEQG-OAJJDEHYSA-N 1 3 316.449 2.233 20 0 DEADHO CC/C=C/CC[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001671086641 1091764422 /nfs/dbraw/zinc/76/44/22/1091764422.db2.gz YVKYFCVDRBCEQG-OAJJDEHYSA-N 1 3 316.449 2.233 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)[C@@H]2CCC[N@H+](CCCF)CC2)C1 ZINC000948778673 1091931786 /nfs/dbraw/zinc/93/17/86/1091931786.db2.gz AFIGTWDSVMLGCA-HZPDHXFCSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)[C@@H]2CCC[N@@H+](CCCF)CC2)C1 ZINC000948778673 1091931793 /nfs/dbraw/zinc/93/17/93/1091931793.db2.gz AFIGTWDSVMLGCA-HZPDHXFCSA-N 1 3 313.461 2.001 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001411644116 1091957214 /nfs/dbraw/zinc/95/72/14/1091957214.db2.gz IMLYSCBPOAKRLC-IXDOHACOSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001411644116 1091957221 /nfs/dbraw/zinc/95/72/21/1091957221.db2.gz IMLYSCBPOAKRLC-IXDOHACOSA-N 1 3 309.498 2.343 20 0 DEADHO c1c[nH]c(CN2CCC3(CC[N@@H+](CCn4ccnc4)C3)CC2)c1 ZINC001275855227 1092238633 /nfs/dbraw/zinc/23/86/33/1092238633.db2.gz JGBJPGSSKAFIBF-UHFFFAOYSA-N 1 3 313.449 2.199 20 0 DEADHO c1c[nH]c(CN2CCC3(CC[N@H+](CCn4ccnc4)C3)CC2)c1 ZINC001275855227 1092238641 /nfs/dbraw/zinc/23/86/41/1092238641.db2.gz JGBJPGSSKAFIBF-UHFFFAOYSA-N 1 3 313.449 2.199 20 0 DEADHO CN(C)CC[N@@H+]1CCCC2(CCN(Cc3ccccn3)CC2)C1 ZINC001275874809 1092258624 /nfs/dbraw/zinc/25/86/24/1092258624.db2.gz YCGFKNHLCKGVJL-UHFFFAOYSA-N 1 3 316.493 2.321 20 0 DEADHO CN(C)CC[N@H+]1CCCC2(CCN(Cc3ccccn3)CC2)C1 ZINC001275874809 1092258635 /nfs/dbraw/zinc/25/86/35/1092258635.db2.gz YCGFKNHLCKGVJL-UHFFFAOYSA-N 1 3 316.493 2.321 20 0 DEADHO C[C@H](CC[NH+](C)C)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC001412043687 1092502046 /nfs/dbraw/zinc/50/20/46/1092502046.db2.gz LSYANGUJUCMNCP-HLLBOEOZSA-N 1 3 305.466 2.382 20 0 DEADHO Cc1sccc1C[N@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001274074205 1093790202 /nfs/dbraw/zinc/79/02/02/1093790202.db2.gz SWFPTHNZFZMELG-KRWDZBQOSA-N 1 3 321.490 2.043 20 0 DEADHO Cc1sccc1C[N@@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001274074205 1093790207 /nfs/dbraw/zinc/79/02/07/1093790207.db2.gz SWFPTHNZFZMELG-KRWDZBQOSA-N 1 3 321.490 2.043 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@H+](C)CCC(F)(F)F)C1 ZINC001420949318 1171375000 /nfs/dbraw/zinc/37/50/00/1171375000.db2.gz LZDJGKDGWBBYIK-ZDUSSCGKSA-N 1 3 323.403 2.059 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@@H+](C)CCC(F)(F)F)C1 ZINC001420949318 1171375005 /nfs/dbraw/zinc/37/50/05/1171375005.db2.gz LZDJGKDGWBBYIK-ZDUSSCGKSA-N 1 3 323.403 2.059 20 0 DEADHO CN(C)c1ccnc(Cl)c1CN1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321006 1138351588 /nfs/dbraw/zinc/35/15/88/1138351588.db2.gz NICBQKZSXRGHTP-BETUJISGSA-N 1 3 308.857 2.232 20 0 DEADHO CN(C)Cc1cc(F)cc(CN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237410851 1138615860 /nfs/dbraw/zinc/61/58/60/1138615860.db2.gz DKHLVNLBCNMZFD-AEFFLSMTSA-N 1 3 305.441 2.461 20 0 DEADHO CCOC(=O)[C@@H]1CN(Cc2cccc(C)c2F)CCC12C[NH2+]C2 ZINC001237431375 1138621967 /nfs/dbraw/zinc/62/19/67/1138621967.db2.gz RQSMTDCQQDETBY-HNNXBMFYSA-N 1 3 320.408 2.109 20 0 DEADHO Cc1ccc(NC(=O)NC[C@H]2CCC3(CCNCC3)[NH2+]2)cc1F ZINC001239213396 1138988788 /nfs/dbraw/zinc/98/87/88/1138988788.db2.gz BIKFGWDKYJISER-CQSZACIVSA-N 1 3 320.412 2.130 20 0 DEADHO Cc1cccc(C)c1NC(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239218264 1138991666 /nfs/dbraw/zinc/99/16/66/1138991666.db2.gz XRGGKYYGXHCKOC-HNNXBMFYSA-N 1 3 316.449 2.299 20 0 DEADHO NCCC[NH2+]CCCNC(=O)Nc1cc(Cl)ccc1Cl ZINC001239253105 1139005480 /nfs/dbraw/zinc/00/54/80/1139005480.db2.gz NVXSTKFEQICLEO-UHFFFAOYSA-N 1 3 319.236 2.443 20 0 DEADHO Cc1ccc(NC(=S)NC[C@H]2CCC3(CCNCC3)[NH2+]2)cc1 ZINC001239361677 1139029612 /nfs/dbraw/zinc/02/96/12/1139029612.db2.gz CGLLJQPTUVTQGK-OAHLLOKOSA-N 1 3 318.490 2.156 20 0 DEADHO Cc1cnc(CN2CCCC3(CN(CC[NH+](C)C)C3)C2)c(C)c1 ZINC001278306696 1139222042 /nfs/dbraw/zinc/22/20/42/1139222042.db2.gz NRSSTIRANSBRJO-UHFFFAOYSA-N 1 3 316.493 2.158 20 0 DEADHO c1ccc(CN2CCC=C(c3ncnc4c3C[NH2+]CC4)C2)cc1 ZINC001240383470 1139352576 /nfs/dbraw/zinc/35/25/76/1139352576.db2.gz DPXVFVGRXMAWAB-UHFFFAOYSA-N 1 3 306.413 2.412 20 0 DEADHO c1ccc(CN2CC=C(c3nccc(C4C[NH2+]C4)n3)CC2)cc1 ZINC001241503428 1139821788 /nfs/dbraw/zinc/82/17/88/1139821788.db2.gz RXQFIDQSKXPVFC-UHFFFAOYSA-N 1 3 306.413 2.453 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2CC[NH2+]CC2CC2)C1 ZINC001319775627 1140711948 /nfs/dbraw/zinc/71/19/48/1140711948.db2.gz WVOLLTRLNDQCRK-WBVHZDCISA-N 1 3 307.482 2.099 20 0 DEADHO CCCC[C@@H](CC)COC[C@@H](O)CNCC[C@H]1CCC[NH2+]1 ZINC001245992161 1140843101 /nfs/dbraw/zinc/84/31/01/1140843101.db2.gz FUANZXHVWQOXEM-ZACQAIPSSA-N 1 3 300.487 2.312 20 0 DEADHO [NH3+][C@H]1CCCN(C[C@H](O)COc2cccc3ccccc32)CC1 ZINC001246018325 1140846490 /nfs/dbraw/zinc/84/64/90/1140846490.db2.gz VOQBXFKSNSARTE-IRXDYDNUSA-N 1 3 314.429 2.393 20 0 DEADHO C[C@]1([NH3+])CCCN(C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC001246025569 1140849041 /nfs/dbraw/zinc/84/90/41/1140849041.db2.gz YZLBNKZEFDQECJ-HOCLYGCPSA-N 1 3 312.841 2.283 20 0 DEADHO C[C@H]1CC[C@H](N[C@@H]2CCCN(C(=O)c3ccccc3)CC2)C[NH2+]1 ZINC001246078016 1140857876 /nfs/dbraw/zinc/85/78/76/1140857876.db2.gz AXRTZYWTCGDBIF-JQHSSLGASA-N 1 3 315.461 2.411 20 0 DEADHO CC(C)C[C@H](Cc1ccccc1)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246078330 1140858088 /nfs/dbraw/zinc/85/80/88/1140858088.db2.gz AHWWNWDAOCWOFS-FGTMMUONSA-N 1 3 308.441 2.296 20 0 DEADHO Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H](F)CN2)CCN1 ZINC001246089349 1140859600 /nfs/dbraw/zinc/85/96/00/1140859600.db2.gz CXGHQTXKFBKKMF-QSJFSLAZSA-N 1 3 309.404 2.217 20 0 DEADHO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246089027 1140859847 /nfs/dbraw/zinc/85/98/47/1140859847.db2.gz OGQRIVKNOZCLJI-WKPIXPDZSA-N 1 3 318.795 2.062 20 0 DEADHO C[C@@H]1C[C@@H](N[C@H]2CCNC[C@@H]2F)CC[N@@H+]1Cc1ccccc1 ZINC001246092873 1140860306 /nfs/dbraw/zinc/86/03/06/1140860306.db2.gz QIUPHQFNXRLAEX-UBDQQSCGSA-N 1 3 305.441 2.329 20 0 DEADHO C[C@@H]1C[C@@H](N[C@H]2CCNC[C@@H]2F)CC[N@H+]1Cc1ccccc1 ZINC001246092873 1140860308 /nfs/dbraw/zinc/86/03/08/1140860308.db2.gz QIUPHQFNXRLAEX-UBDQQSCGSA-N 1 3 305.441 2.329 20 0 DEADHO CCOC(=O)[C@@H]1CC12CCC(NC[C@@H]1CC[C@@H](C)C[NH2+]1)CC2 ZINC001246104953 1140861467 /nfs/dbraw/zinc/86/14/67/1140861467.db2.gz KYJLXENQRBHJIG-YOUGENKZSA-N 1 3 308.466 2.476 20 0 DEADHO C[C@@H](CSc1ccc(F)cc1)N[C@@H]1[C@H]2C[NH2+]C[C@@H]1COC2 ZINC001246145812 1140866139 /nfs/dbraw/zinc/86/61/39/1140866139.db2.gz FDLVYICLWQNESP-BCUIYNNISA-N 1 3 310.438 2.130 20 0 DEADHO c1ccc(OC2CCC([NH2+][C@@H]3[C@H]4CNC[C@@H]3COC4)CC2)cc1 ZINC001246144956 1140866322 /nfs/dbraw/zinc/86/63/22/1140866322.db2.gz CGBPZTCVZZHHRO-DMKOPQLJSA-N 1 3 316.445 2.201 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)Nc3ccccc3)CC2)CCN1 ZINC001246240611 1140876496 /nfs/dbraw/zinc/87/64/96/1140876496.db2.gz RCBMEAZSFZXNJR-PBHICJAKSA-N 1 3 316.449 2.413 20 0 DEADHO CCC[NH2+]CC[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001320551037 1140878577 /nfs/dbraw/zinc/87/85/77/1140878577.db2.gz ZTYCAYCJNNMUOR-CJNGLKHVSA-N 1 3 301.450 2.093 20 0 DEADHO COc1ccc(CCN(C[C@H](C)O)[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC001246531364 1140939370 /nfs/dbraw/zinc/93/93/70/1140939370.db2.gz FBANCUVHFFRYFC-ZOBUZTSGSA-N 1 3 306.450 2.061 20 0 DEADHO COc1ccc(CC[N@H+](C[C@H](C)O)[C@H]2CCN[C@@H](C)C2)cc1 ZINC001246531364 1140939377 /nfs/dbraw/zinc/93/93/77/1140939377.db2.gz FBANCUVHFFRYFC-ZOBUZTSGSA-N 1 3 306.450 2.061 20 0 DEADHO COc1ccc(CC[N@@H+](C[C@H](C)O)[C@H]2CCN[C@@H](C)C2)cc1 ZINC001246531364 1140939390 /nfs/dbraw/zinc/93/93/90/1140939390.db2.gz FBANCUVHFFRYFC-ZOBUZTSGSA-N 1 3 306.450 2.061 20 0 DEADHO C[C@@H]1C[C@@H](N2C[C@H]([NH3+])CC(F)(F)C2)CN1Cc1ccccc1 ZINC001246585452 1140988819 /nfs/dbraw/zinc/98/88/19/1140988819.db2.gz KRMGMOYGHNWRQA-FVQBIDKESA-N 1 3 309.404 2.318 20 0 DEADHO CCCC[C@@H](CC(C)C)[N@@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246630607 1141013578 /nfs/dbraw/zinc/01/35/78/1141013578.db2.gz UBMYZVQVTPTBQC-MAUKXSAKSA-N 1 3 307.482 2.003 20 0 DEADHO CCCC[C@@H](CC(C)C)[N@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246630607 1141013589 /nfs/dbraw/zinc/01/35/89/1141013589.db2.gz UBMYZVQVTPTBQC-MAUKXSAKSA-N 1 3 307.482 2.003 20 0 DEADHO Cc1ccc(CN2CC[C@@H]3[C@@H]2CCN3[C@H]2CC[C@H](C)[NH2+]C2)o1 ZINC001246705142 1141041188 /nfs/dbraw/zinc/04/11/88/1141041188.db2.gz JLHQALDQLFBQKI-QXRTWZOPSA-N 1 3 303.450 2.377 20 0 DEADHO c1cncc(OC[C@@]23CCC[C@@H]2C[N@@H+](C2CCNCC2)C3)c1 ZINC001246720762 1141044037 /nfs/dbraw/zinc/04/40/37/1141044037.db2.gz MWNUZDYIDSNXKU-QAPCUYQASA-N 1 3 301.434 2.315 20 0 DEADHO c1cncc(OC[C@@]23CCC[C@@H]2C[N@H+](C2CCNCC2)C3)c1 ZINC001246720762 1141044053 /nfs/dbraw/zinc/04/40/53/1141044053.db2.gz MWNUZDYIDSNXKU-QAPCUYQASA-N 1 3 301.434 2.315 20 0 DEADHO CC[C@@H]1[N@@H+](C2CCNCC2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246726522 1141045581 /nfs/dbraw/zinc/04/55/81/1141045581.db2.gz SDJFVWNAVOIROI-HKUYNNGSSA-N 1 3 319.493 2.384 20 0 DEADHO CC[C@@H]1[N@H+](C2CCNCC2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246726522 1141045588 /nfs/dbraw/zinc/04/55/88/1141045588.db2.gz SDJFVWNAVOIROI-HKUYNNGSSA-N 1 3 319.493 2.384 20 0 DEADHO CC[C@@H]1N(C2CC[NH2+]CC2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246726522 1141045597 /nfs/dbraw/zinc/04/55/97/1141045597.db2.gz SDJFVWNAVOIROI-HKUYNNGSSA-N 1 3 319.493 2.384 20 0 DEADHO Fc1ccc([C@H]2CSCCN2[C@@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246823050 1141077309 /nfs/dbraw/zinc/07/73/09/1141077309.db2.gz MSLGMYFTDOHZIN-HZPDHXFCSA-N 1 3 321.465 2.010 20 0 DEADHO CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001321337581 1141179406 /nfs/dbraw/zinc/17/94/06/1141179406.db2.gz PFRNKXZEKSDGND-OGZRUICASA-N 1 3 323.868 2.442 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC/C=C\C[NH2+]CC1CC2(CCC2)C1 ZINC001321362961 1141203310 /nfs/dbraw/zinc/20/33/10/1141203310.db2.gz JFXTUOPYBVTPDP-IHWYPQMZSA-N 1 3 316.449 2.103 20 0 DEADHO Cc1ccc(C[NH2+]C/C=C\CNC(=O)CN(C)C(C)C)cc1 ZINC001321421573 1141243792 /nfs/dbraw/zinc/24/37/92/1141243792.db2.gz WOKRFLBZBLHJOX-WAYWQWQTSA-N 1 3 303.450 2.097 20 0 DEADHO C[C@H](C[NH2+]CCc1ccccc1)NC(=O)CN(C)CC(C)(C)C ZINC001321652355 1141322488 /nfs/dbraw/zinc/32/24/88/1141322488.db2.gz IHBZMAVQWPMXBK-MRXNPFEDSA-N 1 3 319.493 2.301 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC001278487031 1141361322 /nfs/dbraw/zinc/36/13/22/1141361322.db2.gz LFFYQFWSSWPMCB-DJIMGWMZSA-N 1 3 316.449 2.135 20 0 DEADHO Cc1ccc(C)c(C[NH2+]CCCN(C)C(=O)Cc2c[nH]cn2)c1 ZINC001322709805 1141692376 /nfs/dbraw/zinc/69/23/76/1141692376.db2.gz DTSDEKRVJMPBEY-UHFFFAOYSA-N 1 3 314.433 2.207 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CCC2CC2)C1 ZINC001278582407 1142251354 /nfs/dbraw/zinc/25/13/54/1142251354.db2.gz LTKKYYOYGRMQLV-IEBWSBKVSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)c1ccc(OC[C@@H](O)C[N@H+](C)CCCN(C)C)cc1 ZINC001250746022 1142304145 /nfs/dbraw/zinc/30/41/45/1142304145.db2.gz MSRXZWADMWHDFN-KRWDZBQOSA-N 1 3 308.466 2.433 20 0 DEADHO CC(C)c1ccc(OC[C@@H](O)C[N@@H+](C)CCCN(C)C)cc1 ZINC001250746022 1142304155 /nfs/dbraw/zinc/30/41/55/1142304155.db2.gz MSRXZWADMWHDFN-KRWDZBQOSA-N 1 3 308.466 2.433 20 0 DEADHO CC1CCN(CCC[NH2+]C[C@@H](O)COc2cccc(F)c2)CC1 ZINC001250821527 1142326186 /nfs/dbraw/zinc/32/61/86/1142326186.db2.gz COXNRSSMMHWPSI-QGZVFWFLSA-N 1 3 324.440 2.277 20 0 DEADHO CC(C)=CC[NH2+][C@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CC1(C)C ZINC001278684446 1142823110 /nfs/dbraw/zinc/82/31/10/1142823110.db2.gz DALCSKCDECJAGX-HOTGVXAUSA-N 1 3 309.498 2.365 20 0 DEADHO C[NH+](C)CCCCC(=O)N1C[C@@H](NC/C=C\Cl)C(C)(C)C1 ZINC001278684701 1142824125 /nfs/dbraw/zinc/82/41/25/1142824125.db2.gz JDUQDCQMZNLCIM-IUCKJTJTSA-N 1 3 315.889 2.297 20 0 DEADHO CCN(CC)C[C@@H](O)C[NH2+]CCN(CC)c1cccc(C)c1 ZINC001253173395 1142849699 /nfs/dbraw/zinc/84/96/99/1142849699.db2.gz CWALJBMYSVFSMD-SFHVURJKSA-N 1 3 307.482 2.114 20 0 DEADHO OC1(C[NH+]2CCC(F)CC2)CCN(Cc2ccccc2)CC1 ZINC001254030385 1143029708 /nfs/dbraw/zinc/02/97/08/1143029708.db2.gz TYPUHUCXBBPQGL-UHFFFAOYSA-N 1 3 306.425 2.447 20 0 DEADHO OC1(C[N@@H+]2C[C@H]3CC[C@@H]2C3)CCN(Cc2ccccc2)CC1 ZINC001254039764 1143031424 /nfs/dbraw/zinc/03/14/24/1143031424.db2.gz JLMIBODGKQUEDT-ZWKOTPCHSA-N 1 3 300.446 2.498 20 0 DEADHO OC1(C[N@H+]2C[C@H]3CC[C@@H]2C3)CCN(Cc2ccccc2)CC1 ZINC001254039764 1143031432 /nfs/dbraw/zinc/03/14/32/1143031432.db2.gz JLMIBODGKQUEDT-ZWKOTPCHSA-N 1 3 300.446 2.498 20 0 DEADHO CN1CCC[C@H]([N@@H+]2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)CC1 ZINC001254517131 1143173047 /nfs/dbraw/zinc/17/30/47/1143173047.db2.gz SJUOPBDKZIJHTD-RWMBFGLXSA-N 1 3 312.351 2.198 20 0 DEADHO CN1CCC[C@H]([N@H+]2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)CC1 ZINC001254517131 1143173066 /nfs/dbraw/zinc/17/30/66/1143173066.db2.gz SJUOPBDKZIJHTD-RWMBFGLXSA-N 1 3 312.351 2.198 20 0 DEADHO C[N@@H+]1CCC[C@@H](N2CCC(NC(=O)CC(C)(C)C)CC2)CC1 ZINC001254532947 1143239020 /nfs/dbraw/zinc/23/90/20/1143239020.db2.gz YIMHZYOSXHFOPD-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO C[N@H+]1CCC[C@@H](N2CCC(NC(=O)CC(C)(C)C)CC2)CC1 ZINC001254532947 1143239038 /nfs/dbraw/zinc/23/90/38/1143239038.db2.gz YIMHZYOSXHFOPD-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO NC(=O)[C@@H]1CCC[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001255137644 1143437613 /nfs/dbraw/zinc/43/76/13/1143437613.db2.gz VJGZFKVBRBILKU-MLHJIOFPSA-N 1 3 313.445 2.132 20 0 DEADHO NC(=O)[C@@H]1CCC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001255137644 1143437629 /nfs/dbraw/zinc/43/76/29/1143437629.db2.gz VJGZFKVBRBILKU-MLHJIOFPSA-N 1 3 313.445 2.132 20 0 DEADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC[C@H]1CCCN1C)C2 ZINC001255183096 1143475324 /nfs/dbraw/zinc/47/53/24/1143475324.db2.gz JMHVMYFVLKNHOO-LVQVYYBASA-N 1 3 309.454 2.212 20 0 DEADHO C(C1CCCC1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCSC3)C[C@@H]2C1 ZINC001255286531 1143543738 /nfs/dbraw/zinc/54/37/38/1143543738.db2.gz OPVUMPTUDRUKQK-GVDBMIGSSA-N 1 3 310.507 2.315 20 0 DEADHO C(C1CCCC1)N1CCO[C@@H]2C[N@H+]([C@@H]3CCSC3)C[C@@H]2C1 ZINC001255286531 1143543756 /nfs/dbraw/zinc/54/37/56/1143543756.db2.gz OPVUMPTUDRUKQK-GVDBMIGSSA-N 1 3 310.507 2.315 20 0 DEADHO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CCCCCN(C)C ZINC001255798658 1143806765 /nfs/dbraw/zinc/80/67/65/1143806765.db2.gz BUJIPHSGIABJKS-OAHLLOKOSA-N 1 3 312.479 2.170 20 0 DEADHO CN1CC2(C1)CC[NH+]([C@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2 ZINC001255918381 1143815088 /nfs/dbraw/zinc/81/50/88/1143815088.db2.gz UCYYAGCPFQXCNJ-HNNXBMFYSA-N 1 3 323.481 2.414 20 0 DEADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H]1CCc2c(ccc(=O)n2CC)C1 ZINC001255943520 1143815781 /nfs/dbraw/zinc/81/57/81/1143815781.db2.gz NTWHGLUEUNNZSR-NVXWUHKLSA-N 1 3 319.493 2.436 20 0 DEADHO CC(C)C(=O)N1CCC[C@]12CCN(C1CC[NH+](C3CC3)CC1)C2 ZINC001256078483 1143828353 /nfs/dbraw/zinc/82/83/53/1143828353.db2.gz YHVYYQXCXMALOU-LJQANCHMSA-N 1 3 319.493 2.336 20 0 DEADHO c1ccc(CCN2CCN(C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC001256078382 1143828360 /nfs/dbraw/zinc/82/83/60/1143828360.db2.gz WKVSJXUJZPNQNC-UHFFFAOYSA-N 1 3 313.489 2.474 20 0 DEADHO C[C@@H](Cc1ccccn1)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001256406026 1143846696 /nfs/dbraw/zinc/84/66/96/1143846696.db2.gz RKTSIDNBNCRBIA-INIZCTEOSA-N 1 3 317.477 2.493 20 0 DEADHO C[C@@H](Cc1ccccn1)NC1CC[NH+](CC2CCOCC2)CC1 ZINC001256406026 1143846697 /nfs/dbraw/zinc/84/66/97/1143846697.db2.gz RKTSIDNBNCRBIA-INIZCTEOSA-N 1 3 317.477 2.493 20 0 DEADHO CC(C)(C)N1CCC([NH2+]Cc2ccccc2-n2cnnn2)CC1 ZINC001256563594 1143854316 /nfs/dbraw/zinc/85/43/16/1143854316.db2.gz CTAYTORHJXCHCG-UHFFFAOYSA-N 1 3 314.437 2.015 20 0 DEADHO COC(=O)[C@@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)N3C)Cc2ccccc21 ZINC001256629868 1143858625 /nfs/dbraw/zinc/85/86/25/1143858625.db2.gz UNRITMXWXVOJHC-IXEWLPCDSA-N 1 3 314.429 2.384 20 0 DEADHO COC(=O)[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)N3C)Cc2ccccc21 ZINC001256629868 1143858627 /nfs/dbraw/zinc/85/86/27/1143858627.db2.gz UNRITMXWXVOJHC-IXEWLPCDSA-N 1 3 314.429 2.384 20 0 DEADHO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256629997 1143858894 /nfs/dbraw/zinc/85/88/94/1143858894.db2.gz ZQMFYHRVMUZXOV-UYNJIGOISA-N 1 3 306.450 2.275 20 0 DEADHO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256629997 1143858895 /nfs/dbraw/zinc/85/88/95/1143858895.db2.gz ZQMFYHRVMUZXOV-UYNJIGOISA-N 1 3 306.450 2.275 20 0 DEADHO [NH3+]Cc1cccc2ncn(C3CCC(N4CCOCC4)CC3)c21 ZINC001256684895 1143862139 /nfs/dbraw/zinc/86/21/39/1143862139.db2.gz VMJXHPBQJZTMDS-UHFFFAOYSA-N 1 3 314.433 2.311 20 0 DEADHO c1nc(C[NH2+]C2CCC(N3CCOCC3)CC2)cn1CC1CC1 ZINC001256687384 1143862442 /nfs/dbraw/zinc/86/24/42/1143862442.db2.gz UICYBNZKZMABGE-UHFFFAOYSA-N 1 3 318.465 2.026 20 0 DEADHO OCC[N@H+](Cc1cccs1)C1CCC(N2CCOCC2)CC1 ZINC001256694996 1143863057 /nfs/dbraw/zinc/86/30/57/1143863057.db2.gz JLGNDIHKTZPVLE-UHFFFAOYSA-N 1 3 324.490 2.186 20 0 DEADHO OCC[N@@H+](Cc1cccs1)C1CCC(N2CCOCC2)CC1 ZINC001256694996 1143863059 /nfs/dbraw/zinc/86/30/59/1143863059.db2.gz JLGNDIHKTZPVLE-UHFFFAOYSA-N 1 3 324.490 2.186 20 0 DEADHO CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC(N)(c3cccnc3)CC2)C1 ZINC001257049544 1143883102 /nfs/dbraw/zinc/88/31/02/1143883102.db2.gz WYVAJANFQMFNDR-GDBMZVCRSA-N 1 3 317.433 2.063 20 0 DEADHO CC(C)[C@@H]1C[C@@H]([NH2+]C2CC(N)C2)CCN1C(=O)OC(C)(C)C ZINC001257178486 1143891847 /nfs/dbraw/zinc/89/18/47/1143891847.db2.gz HBTXAWUMEFUSRT-SHWKFHJASA-N 1 3 311.470 2.490 20 0 DEADHO CC(C)[NH+]1CCC(NCCc2cccc(S(C)(=O)=O)c2)CC1 ZINC001257210399 1143893120 /nfs/dbraw/zinc/89/31/20/1143893120.db2.gz NIEUPXSXWXWFTC-UHFFFAOYSA-N 1 3 324.490 2.095 20 0 DEADHO CC(C)[NH+]1CCC(N2CCCN(Cc3ccncc3)CC2)CC1 ZINC001257213249 1143893370 /nfs/dbraw/zinc/89/33/70/1143893370.db2.gz JKHGEQMQJHREOI-UHFFFAOYSA-N 1 3 316.493 2.462 20 0 DEADHO CCN1CCN(c2ccc(NC(=O)CCCCC[NH3+])cc2)CC1 ZINC001261451654 1144249129 /nfs/dbraw/zinc/24/91/29/1144249129.db2.gz CKRBJXYKULAQRW-UHFFFAOYSA-N 1 3 318.465 2.286 20 0 DEADHO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]CC[C@@H](C)N(C)C)c1 ZINC001262565201 1144319656 /nfs/dbraw/zinc/31/96/56/1144319656.db2.gz FTCBXCOAONFALN-ZIAGYGMSSA-N 1 3 314.857 2.318 20 0 DEADHO CN(C[C@@H]1CCN1CC1=CCCCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001263817169 1144399762 /nfs/dbraw/zinc/39/97/62/1144399762.db2.gz PHLHMJSORQAWBG-MSOLQXFVSA-N 1 3 319.493 2.361 20 0 DEADHO CN(C[C@@H]1CCN1CC1=CCCCC1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001263817169 1144399764 /nfs/dbraw/zinc/39/97/64/1144399764.db2.gz PHLHMJSORQAWBG-MSOLQXFVSA-N 1 3 319.493 2.361 20 0 DEADHO Cc1ccc(C[N@@H+](C)CCCNC(=O)[C@H]2CCCN2C)cc1F ZINC001264971528 1144614851 /nfs/dbraw/zinc/61/48/51/1144614851.db2.gz VSJHKGYUOYMVFG-QGZVFWFLSA-N 1 3 321.440 2.166 20 0 DEADHO Cc1ccc(C[N@H+](C)CCCNC(=O)[C@H]2CCCN2C)cc1F ZINC001264971528 1144614857 /nfs/dbraw/zinc/61/48/57/1144614857.db2.gz VSJHKGYUOYMVFG-QGZVFWFLSA-N 1 3 321.440 2.166 20 0 DEADHO CC/C=C\CCN1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001265292681 1144685375 /nfs/dbraw/zinc/68/53/75/1144685375.db2.gz QQJDEHSJSXOUHZ-MJSXRHKHSA-N 1 3 305.466 2.162 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1CCC ZINC001265717283 1144733630 /nfs/dbraw/zinc/73/36/30/1144733630.db2.gz YBWMYRCOVSWMHO-MHPPSNFYSA-N 1 3 319.493 2.264 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1CCC ZINC001265717283 1144733632 /nfs/dbraw/zinc/73/36/32/1144733632.db2.gz YBWMYRCOVSWMHO-MHPPSNFYSA-N 1 3 319.493 2.264 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001266041229 1144798995 /nfs/dbraw/zinc/79/89/95/1144798995.db2.gz QSKRCUBBMHSBGX-IRXDYDNUSA-N 1 3 307.482 2.099 20 0 DEADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@@H]1CCC[C@]3(CCOC3)O1)C2 ZINC001364424058 1145241940 /nfs/dbraw/zinc/24/19/40/1145241940.db2.gz BODXAVQEMJLFHR-RCCFBDPRSA-N 1 3 308.466 2.132 20 0 DEADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@@H]1CCC[C@]3(CCOC3)O1)C2 ZINC001364424058 1145241952 /nfs/dbraw/zinc/24/19/52/1145241952.db2.gz BODXAVQEMJLFHR-RCCFBDPRSA-N 1 3 308.466 2.132 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC001364475243 1145279516 /nfs/dbraw/zinc/27/95/16/1145279516.db2.gz FOKGCDVBMIXVLB-DLBZAZTESA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)CNC(=O)CCCN1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001364527459 1145318352 /nfs/dbraw/zinc/31/83/52/1145318352.db2.gz ASQGNBRJFFZRHJ-KDURUIRLSA-N 1 3 321.509 2.347 20 0 DEADHO CC(C)CNC(=O)CCCN1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001364527459 1145318359 /nfs/dbraw/zinc/31/83/59/1145318359.db2.gz ASQGNBRJFFZRHJ-KDURUIRLSA-N 1 3 321.509 2.347 20 0 DEADHO CC1(C)CC[C@H](CN2CCC(O)(C[NH+]3CCCCC3)CC2)O1 ZINC001364544256 1145330269 /nfs/dbraw/zinc/33/02/69/1145330269.db2.gz DFOAEPXRBVSFST-MRXNPFEDSA-N 1 3 310.482 2.257 20 0 DEADHO CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H]1C ZINC001283878943 1145684153 /nfs/dbraw/zinc/68/41/53/1145684153.db2.gz ADCVKEVNQYJZGL-BZOVTKSESA-N 1 3 307.482 2.406 20 0 DEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CCCCN1C ZINC001365099407 1145801217 /nfs/dbraw/zinc/80/12/17/1145801217.db2.gz JNRPCQHEUQKTJC-VVLHAWIVSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CCCCN1C ZINC001365099407 1145801219 /nfs/dbraw/zinc/80/12/19/1145801219.db2.gz JNRPCQHEUQKTJC-VVLHAWIVSA-N 1 3 324.513 2.136 20 0 DEADHO COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]CC(C)(C)CN3CCCC3)[C@H]2C1 ZINC001365596150 1145899111 /nfs/dbraw/zinc/89/91/11/1145899111.db2.gz LLSCKPCFKBTEFD-WCVJEAGWSA-N 1 3 308.466 2.286 20 0 DEADHO CC[C@H](C(=O)N(C)C1CC([NH2+]CCCC2CCC2)C1)N(C)C ZINC001284815907 1145924342 /nfs/dbraw/zinc/92/43/42/1145924342.db2.gz OGSCGGYSXWACFQ-OFLPRAFFSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC=C(Cl)Cl)C1)N(C)C ZINC001365816918 1146019077 /nfs/dbraw/zinc/01/90/77/1146019077.db2.gz DFUDUBZTFSBWNP-TUAOUCFPSA-N 1 3 322.280 2.130 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1)N(C)C ZINC001365843357 1146025676 /nfs/dbraw/zinc/02/56/76/1146025676.db2.gz JANSJJVPBNBTCN-BZSNNMDCSA-N 1 3 317.477 2.257 20 0 DEADHO CC(C)CCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001491813120 1146933123 /nfs/dbraw/zinc/93/31/23/1146933123.db2.gz ZHRLKXINRGRUJQ-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1ccccc1CN1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001365992983 1146994167 /nfs/dbraw/zinc/99/41/67/1146994167.db2.gz ZXWZRQMPCIEANT-QGZVFWFLSA-N 1 3 315.461 2.027 20 0 DEADHO C[C@H](N[C@@H](CNC(=O)CC[NH+](C)C)C1CC1)c1ccccc1F ZINC001366062024 1147033839 /nfs/dbraw/zinc/03/38/39/1147033839.db2.gz NKTYRVSZIJZICR-GUYCJALGSA-N 1 3 321.440 2.323 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001366103400 1147055811 /nfs/dbraw/zinc/05/58/11/1147055811.db2.gz HHPWGLYGSVVNGA-KRWDZBQOSA-N 1 3 303.450 2.026 20 0 DEADHO Cc1ccc(F)c(C[NH2+][C@H]2C[C@H](NC(=O)CN(C)C(C)C)C2)c1 ZINC001366128792 1147070227 /nfs/dbraw/zinc/07/02/27/1147070227.db2.gz CILGPQQLLYXCDC-WKILWMFISA-N 1 3 321.440 2.211 20 0 DEADHO Cc1ccc(F)c(CN[C@H]2C[C@@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001366154907 1147082640 /nfs/dbraw/zinc/08/26/40/1147082640.db2.gz JZDKSVAXFRNOTI-IYBDPMFKSA-N 1 3 321.440 2.213 20 0 DEADHO CCCC[N@@H+]1CCC[C@H]1CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001492164900 1147107699 /nfs/dbraw/zinc/10/76/99/1147107699.db2.gz IZMZJOYPXYLSKL-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO CCCC[N@H+]1CCC[C@H]1CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001492164900 1147107704 /nfs/dbraw/zinc/10/77/04/1147107704.db2.gz IZMZJOYPXYLSKL-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO CCc1ccccc1C[NH2+][C@@H](C)CNC(=O)[C@@H](CC)N(C)C ZINC001366293663 1147196103 /nfs/dbraw/zinc/19/61/03/1147196103.db2.gz JXPVUJVMKRSYCQ-WMLDXEAASA-N 1 3 305.466 2.184 20 0 DEADHO C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)NC/C=C\Cl ZINC001366371476 1147240661 /nfs/dbraw/zinc/24/06/61/1147240661.db2.gz WWFJEERHSODCQI-QPBFKRLHSA-N 1 3 301.862 2.099 20 0 DEADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CCc1ccccc1 ZINC001366474563 1147300056 /nfs/dbraw/zinc/30/00/56/1147300056.db2.gz MMODXSVYOWPZLT-MRXNPFEDSA-N 1 3 317.477 2.198 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](C)Cc1ccc2c(c1)CCC2)N(C)C ZINC001366582132 1147371074 /nfs/dbraw/zinc/37/10/74/1147371074.db2.gz DYADIOGUQKNJEG-SFHVURJKSA-N 1 3 317.477 2.064 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](C)Cc1ccc2c(c1)CCC2)N(C)C ZINC001366582132 1147371078 /nfs/dbraw/zinc/37/10/78/1147371078.db2.gz DYADIOGUQKNJEG-SFHVURJKSA-N 1 3 317.477 2.064 20 0 DEADHO CC[N@@H+]1CC[C@H](CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001366846318 1147592305 /nfs/dbraw/zinc/59/23/05/1147592305.db2.gz OQQMOFWKRZAQEH-YOEHRIQHSA-N 1 3 313.461 2.047 20 0 DEADHO CC[N@H+]1CC[C@H](CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001366846318 1147592308 /nfs/dbraw/zinc/59/23/08/1147592308.db2.gz OQQMOFWKRZAQEH-YOEHRIQHSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCc2ccccc2)C1)N(C)C ZINC001367017865 1147633856 /nfs/dbraw/zinc/63/38/56/1147633856.db2.gz ZOYQAHGQVSXTCD-ZWKOTPCHSA-N 1 3 317.477 2.006 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CCc2ccccc2)C1)N(C)C ZINC001367017865 1147633858 /nfs/dbraw/zinc/63/38/58/1147633858.db2.gz ZOYQAHGQVSXTCD-ZWKOTPCHSA-N 1 3 317.477 2.006 20 0 DEADHO CC(C)[NH2+]CCC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001367188604 1147662023 /nfs/dbraw/zinc/66/20/23/1147662023.db2.gz OBJSJULUCHLREN-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001367269497 1147672041 /nfs/dbraw/zinc/67/20/41/1147672041.db2.gz MIQDPWIPGBKHCI-RHSMWYFYSA-N 1 3 323.456 2.254 20 0 DEADHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001367364460 1147684384 /nfs/dbraw/zinc/68/43/84/1147684384.db2.gz IWSUTVKBZRGLKQ-WMLDXEAASA-N 1 3 323.456 2.411 20 0 DEADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001317309291 1147688797 /nfs/dbraw/zinc/68/87/97/1147688797.db2.gz KNQUOZWTUIUXTG-ZDUSSCGKSA-N 1 3 321.387 2.005 20 0 DEADHO CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001317335041 1147692218 /nfs/dbraw/zinc/69/22/18/1147692218.db2.gz BZJXFHIQENRPCH-KRWDZBQOSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CC1CCC1 ZINC001367455471 1147696213 /nfs/dbraw/zinc/69/62/13/1147696213.db2.gz WYCYJWUZXBGXJK-DOTOQJQBSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)CC[N@H+](C)CCC2CCCC2)C1 ZINC001367534093 1147711062 /nfs/dbraw/zinc/71/10/62/1147711062.db2.gz JNUSYBAULWFAHW-MRXNPFEDSA-N 1 3 309.498 2.299 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)CC[N@@H+](C)CCC2CCCC2)C1 ZINC001367534093 1147711063 /nfs/dbraw/zinc/71/10/63/1147711063.db2.gz JNUSYBAULWFAHW-MRXNPFEDSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCc1ccsc1 ZINC001317602955 1147731690 /nfs/dbraw/zinc/73/16/90/1147731690.db2.gz HYBVJDVSEYXSIF-INIZCTEOSA-N 1 3 323.506 2.417 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)CCNCc1ccsc1 ZINC001317602955 1147731691 /nfs/dbraw/zinc/73/16/91/1147731691.db2.gz HYBVJDVSEYXSIF-INIZCTEOSA-N 1 3 323.506 2.417 20 0 DEADHO CCC/C=C/CC[NH+]1CC(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001318155127 1147786444 /nfs/dbraw/zinc/78/64/44/1147786444.db2.gz OGNQRZBWEHVWHV-SQRWCISFSA-N 1 3 307.482 2.123 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001368046493 1147840928 /nfs/dbraw/zinc/84/09/28/1147840928.db2.gz RMLQIEIXGXSQFX-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@H+](C(C)C)C1 ZINC001368046493 1147840930 /nfs/dbraw/zinc/84/09/30/1147840930.db2.gz RMLQIEIXGXSQFX-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001325779882 1147999079 /nfs/dbraw/zinc/99/90/79/1147999079.db2.gz XLNGQPXHLXVBLN-BORUEMGLSA-N 1 3 307.482 2.073 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001325779882 1147999081 /nfs/dbraw/zinc/99/90/81/1147999081.db2.gz XLNGQPXHLXVBLN-BORUEMGLSA-N 1 3 307.482 2.073 20 0 DEADHO CC/C=C/CC[NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001326368426 1148085876 /nfs/dbraw/zinc/08/58/76/1148085876.db2.gz ISEJKYQYMRPYNS-NHZBNJEXSA-N 1 3 304.438 2.137 20 0 DEADHO CC/C=C\CC[NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001326368418 1148086323 /nfs/dbraw/zinc/08/63/23/1148086323.db2.gz ISEJKYQYMRPYNS-ABCZVMIZSA-N 1 3 304.438 2.137 20 0 DEADHO CC1CC(C[NH2+]C[C@@]2(C)CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001368187831 1148314780 /nfs/dbraw/zinc/31/47/80/1148314780.db2.gz APUGXOGLVJVZNT-LEOMRAHMSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@@H](F)CN1CCC[C@@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001327161156 1148340142 /nfs/dbraw/zinc/34/01/42/1148340142.db2.gz BQQPJGXOGULWEK-HZPDHXFCSA-N 1 3 315.477 2.437 20 0 DEADHO C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000138344649 282099139 /nfs/dbraw/zinc/09/91/39/282099139.db2.gz KXGRBUWOZHCLSD-MJGOQNOKSA-N 1 3 312.461 2.426 20 0 DEADHO C[C@H](Cn1cccn1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000138344649 282099141 /nfs/dbraw/zinc/09/91/41/282099141.db2.gz KXGRBUWOZHCLSD-MJGOQNOKSA-N 1 3 312.461 2.426 20 0 DEADHO C[C@H](Cn1cccn1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000138344649 282099143 /nfs/dbraw/zinc/09/91/43/282099143.db2.gz KXGRBUWOZHCLSD-MJGOQNOKSA-N 1 3 312.461 2.426 20 0 DEADHO CCC(CC)C(=O)N1CCC([NH2+][C@H]2CCNCC[C@H]2C)CC1 ZINC000422699185 282145708 /nfs/dbraw/zinc/14/57/08/282145708.db2.gz AINDESKUBCXUCS-PBHICJAKSA-N 1 3 309.498 2.391 20 0 DEADHO CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000278233396 214037916 /nfs/dbraw/zinc/03/79/16/214037916.db2.gz KLNCWIJMSQVDAL-NRSFXHEJSA-N 1 3 315.461 2.296 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000418229638 529447933 /nfs/dbraw/zinc/44/79/33/529447933.db2.gz HQXLPVMYKIKTAR-DZGCQCFKSA-N 1 3 324.494 2.048 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000295008798 529464305 /nfs/dbraw/zinc/46/43/05/529464305.db2.gz LZCTXUYTISHLEG-SQNIBIBYSA-N 1 3 311.429 2.344 20 0 DEADHO CC[C@H](NC1CCN(c2cc(C)nc(C)n2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422830854 529585532 /nfs/dbraw/zinc/58/55/32/529585532.db2.gz DFLWNADFQUFAKU-IRXDYDNUSA-N 1 3 317.481 2.182 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000417823559 529613318 /nfs/dbraw/zinc/61/33/18/529613318.db2.gz AECQMBRLQUPDLP-HYVNUMGLSA-N 1 3 303.450 2.273 20 0 DEADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)C1CCC1 ZINC000090038783 185279364 /nfs/dbraw/zinc/27/93/64/185279364.db2.gz AUFHODAPCUWLDX-AWEZNQCLSA-N 1 3 303.450 2.256 20 0 DEADHO CC[C@@H](NC1CCN(Cc2ccncc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422696114 529681616 /nfs/dbraw/zinc/68/16/16/529681616.db2.gz QSZNERJVZQXRHH-MSOLQXFVSA-N 1 3 302.466 2.166 20 0 DEADHO C[C@H]1C[NH+](CC2CCN(Cc3cccn3C)CC2)C[C@H](C)O1 ZINC000092587552 185327457 /nfs/dbraw/zinc/32/74/57/185327457.db2.gz AQSSMWZRZNKOQQ-HOTGVXAUSA-N 1 3 305.466 2.346 20 0 DEADHO Cc1nn(-c2ccccn2)c(C)c1CN1CCC[C@@H](CC[NH3+])C1 ZINC000261917295 282248885 /nfs/dbraw/zinc/24/88/85/282248885.db2.gz KBCCJYTUBSDYPJ-INIZCTEOSA-N 1 3 313.449 2.445 20 0 DEADHO CN(C)[C@@H](CC(=O)N[C@@H]1CCC[C@H]1[NH+](C)C)c1ccccc1 ZINC000613663410 362175199 /nfs/dbraw/zinc/17/51/99/362175199.db2.gz ZNVAVWHEPRMFER-ZACQAIPSSA-N 1 3 303.450 2.278 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@@H](C)[NH2+]C2CC2)N(C)C)cc1 ZINC000294738677 529723292 /nfs/dbraw/zinc/72/32/92/529723292.db2.gz JONZUBZIMYGXOE-DYVFJYSZSA-N 1 3 303.450 2.108 20 0 DEADHO CCc1ccc([C@H](CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])N(C)C)cc1 ZINC000422733276 529723717 /nfs/dbraw/zinc/72/37/17/529723717.db2.gz QUIWQFGKUZDMRD-FDPIWHGQSA-N 1 3 319.493 2.194 20 0 DEADHO COCCN(C)CCC[NH2+]Cc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000075800095 539358902 /nfs/dbraw/zinc/35/89/02/539358902.db2.gz IJRKPMIHJNKKIO-CQSZACIVSA-N 1 3 322.449 2.077 20 0 DEADHO C[C@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)C1CCN(C)CC1 ZINC000090465409 539416410 /nfs/dbraw/zinc/41/64/10/539416410.db2.gz LFYWOTGVSVQBCW-WMLDXEAASA-N 1 3 307.482 2.240 20 0 DEADHO CCC[NH+]1CCC(NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000123901051 539467030 /nfs/dbraw/zinc/46/70/30/539467030.db2.gz KGLJENUMXLMUMU-HZPDHXFCSA-N 1 3 311.514 2.338 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000245583572 282398830 /nfs/dbraw/zinc/39/88/30/282398830.db2.gz AALIIYHAKNHBMK-SJORKVTESA-N 1 3 324.513 2.282 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000245583572 282398831 /nfs/dbraw/zinc/39/88/31/282398831.db2.gz AALIIYHAKNHBMK-SJORKVTESA-N 1 3 324.513 2.282 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000615616722 362660685 /nfs/dbraw/zinc/66/06/85/362660685.db2.gz MYAUKPHEXRDYQY-LJQANCHMSA-N 1 3 315.461 2.306 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000615616722 362660689 /nfs/dbraw/zinc/66/06/89/362660689.db2.gz MYAUKPHEXRDYQY-LJQANCHMSA-N 1 3 315.461 2.306 20 0 DEADHO CN(C)C(=O)c1cccc(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166699605 539610403 /nfs/dbraw/zinc/61/04/03/539610403.db2.gz YQLFYNMLBRKJGV-QZTJIDSGSA-N 1 3 315.461 2.147 20 0 DEADHO CN(C)C(=O)c1cccc(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166699605 539610408 /nfs/dbraw/zinc/61/04/08/539610408.db2.gz YQLFYNMLBRKJGV-QZTJIDSGSA-N 1 3 315.461 2.147 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)CC(C)(C)[NH3+])N2CCCC2)cc1 ZINC000237776555 539749582 /nfs/dbraw/zinc/74/95/82/539749582.db2.gz AQJPXMZRYHDOBY-MRXNPFEDSA-N 1 3 303.450 2.376 20 0 DEADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc2c(c1)CCO2 ZINC000177882591 186199040 /nfs/dbraw/zinc/19/90/40/186199040.db2.gz PAIHUIXCSJEBLS-HNNXBMFYSA-N 1 3 317.477 2.298 20 0 DEADHO C[C@@H]1NCCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H]1C ZINC000262850298 186313178 /nfs/dbraw/zinc/31/31/78/186313178.db2.gz ZKWBRUVXJOSHGQ-XYJFISCASA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1NCCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H]1C ZINC000262850298 186313180 /nfs/dbraw/zinc/31/31/80/186313180.db2.gz ZKWBRUVXJOSHGQ-XYJFISCASA-N 1 3 315.461 2.107 20 0 DEADHO NC[C@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1ccc2ccccc2c1 ZINC000262910590 186324001 /nfs/dbraw/zinc/32/40/01/186324001.db2.gz YLYAGBKORBWGAH-SQNIBIBYSA-N 1 3 311.429 2.473 20 0 DEADHO CCc1noc(C)c1CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333876242 282984149 /nfs/dbraw/zinc/98/41/49/282984149.db2.gz SXYCUTGISVHQOH-NVXWUHKLSA-N 1 3 307.438 2.264 20 0 DEADHO [NH3+]Cc1cccc(NC(=O)N2CCN(C3CCCC3)CC2)c1 ZINC000314997241 539883971 /nfs/dbraw/zinc/88/39/71/539883971.db2.gz FRLCWAFPMDECNT-UHFFFAOYSA-N 1 3 302.422 2.237 20 0 DEADHO Cn1ncc2c1CCC[C@H]2[NH2+]C1CCN(c2ccncc2)CC1 ZINC000294305941 282835491 /nfs/dbraw/zinc/83/54/91/282835491.db2.gz VLVYTYXEFPAGPC-QGZVFWFLSA-N 1 3 311.433 2.451 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NCCN1CCC[C@H](C)C1 ZINC000357609663 535242313 /nfs/dbraw/zinc/24/23/13/535242313.db2.gz QSGGJEGAQFKUBC-HOTGVXAUSA-N 1 3 312.502 2.138 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NCCN1CCC[C@H](C)C1 ZINC000357609663 535242316 /nfs/dbraw/zinc/24/23/16/535242316.db2.gz QSGGJEGAQFKUBC-HOTGVXAUSA-N 1 3 312.502 2.138 20 0 DEADHO c1cc(N2CCN(CCC[NH2+][C@@H]3CC[C@@H]3C3CC3)CC2)ccn1 ZINC000348070809 540020388 /nfs/dbraw/zinc/02/03/88/540020388.db2.gz WYZKVACAILGKOO-RTBURBONSA-N 1 3 314.477 2.372 20 0 DEADHO C[C@H]1CCC[C@@](CNC(=O)NCCN2CCCCC2)([NH+](C)C)C1 ZINC000052518982 354405185 /nfs/dbraw/zinc/40/51/85/354405185.db2.gz VJNJELQBDVWFBU-FUHWJXTLSA-N 1 3 324.513 2.282 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000053094614 354423259 /nfs/dbraw/zinc/42/32/59/354423259.db2.gz CTHSDYOMRWQWQY-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000063467166 354646234 /nfs/dbraw/zinc/64/62/34/354646234.db2.gz NHLGYJITYXGGID-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)N1CCCN(C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000069724294 354875028 /nfs/dbraw/zinc/87/50/28/354875028.db2.gz MGOQLRKZOSCZIF-UHFFFAOYSA-N 1 3 312.502 2.231 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC000073474329 354961658 /nfs/dbraw/zinc/96/16/58/354961658.db2.gz POCDNPSOTKLBGI-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1CCN(C)CCN1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000355477064 283063564 /nfs/dbraw/zinc/06/35/64/283063564.db2.gz SMWVLBQZGDFOSK-DOTOQJQBSA-N 1 3 324.513 2.233 20 0 DEADHO CCN1CC[C@@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000356834135 283069899 /nfs/dbraw/zinc/06/98/99/283069899.db2.gz FWVDUQXKMOYAMS-ZDUSSCGKSA-N 1 3 307.404 2.335 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@]1(C)CC[NH2+]C1 ZINC000382730154 540123450 /nfs/dbraw/zinc/12/34/50/540123450.db2.gz ZVHYUTIUUUILHH-QFBILLFUSA-N 1 3 315.461 2.109 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N[C@H]1CCN(C2CC2)C1)C(C)C ZINC000080694280 355380968 /nfs/dbraw/zinc/38/09/68/355380968.db2.gz VHOFQLOHGYXPMN-HNNXBMFYSA-N 1 3 310.486 2.031 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000417977127 540169224 /nfs/dbraw/zinc/16/92/24/540169224.db2.gz GSQKLMJEVMQBKC-PVAVHDDUSA-N 1 3 318.465 2.076 20 0 DEADHO C[C@H](CCN(C)C[C@H]1CCCOC1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000431601941 540176579 /nfs/dbraw/zinc/17/65/79/540176579.db2.gz GBAYCHNHAQPPOU-KURKYZTESA-N 1 3 312.498 2.482 20 0 DEADHO C[C@H](CCN(C)C[C@H]1CCCOC1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000431601941 540176581 /nfs/dbraw/zinc/17/65/81/540176581.db2.gz GBAYCHNHAQPPOU-KURKYZTESA-N 1 3 312.498 2.482 20 0 DEADHO C[C@H](CC[N@H+](C)C[C@H]1CCCOC1)N(C)C[C@@H]1CCCOC1 ZINC000431601941 540176582 /nfs/dbraw/zinc/17/65/82/540176582.db2.gz GBAYCHNHAQPPOU-KURKYZTESA-N 1 3 312.498 2.482 20 0 DEADHO C[C@H](CC[N@@H+](C)C[C@H]1CCCOC1)N(C)C[C@@H]1CCCOC1 ZINC000431601941 540176584 /nfs/dbraw/zinc/17/65/84/540176584.db2.gz GBAYCHNHAQPPOU-KURKYZTESA-N 1 3 312.498 2.482 20 0 DEADHO CC[NH+](CC)C[C@H](C)NC(=O)NCCN1CCCC(C)(C)C1 ZINC000444986445 540185283 /nfs/dbraw/zinc/18/52/83/540185283.db2.gz JOAZGTYVRWKIPS-HNNXBMFYSA-N 1 3 312.502 2.138 20 0 DEADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccc(CCNC(C)=O)cc2)C1 ZINC000092739765 355649235 /nfs/dbraw/zinc/64/92/35/355649235.db2.gz IZPAVEXTJZNUJG-YJBOKZPZSA-N 1 3 317.477 2.358 20 0 DEADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc(CCNC(C)=O)cc2)C1 ZINC000092739765 355649240 /nfs/dbraw/zinc/64/92/40/355649240.db2.gz IZPAVEXTJZNUJG-YJBOKZPZSA-N 1 3 317.477 2.358 20 0 DEADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(CCNC(C)=O)cc2)C1 ZINC000092739765 355649246 /nfs/dbraw/zinc/64/92/46/355649246.db2.gz IZPAVEXTJZNUJG-YJBOKZPZSA-N 1 3 317.477 2.358 20 0 DEADHO COC(=O)[C@@]1(C)CCN(Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000093813496 355687173 /nfs/dbraw/zinc/68/71/73/355687173.db2.gz RRRBRTSOTOWAOE-SFHVURJKSA-N 1 3 320.433 2.012 20 0 DEADHO CC[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000130306414 355840898 /nfs/dbraw/zinc/84/08/98/355840898.db2.gz XNTNAAQDQGAOLD-WMLDXEAASA-N 1 3 303.450 2.415 20 0 DEADHO CC[C@@H](N)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000130306414 355840901 /nfs/dbraw/zinc/84/09/01/355840901.db2.gz XNTNAAQDQGAOLD-WMLDXEAASA-N 1 3 303.450 2.415 20 0 DEADHO CC[C@H](N)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000370763112 283131503 /nfs/dbraw/zinc/13/15/03/283131503.db2.gz FHSZKLNIJRQPIB-HKUYNNGSSA-N 1 3 315.461 2.238 20 0 DEADHO CC[C@H](N)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000370763112 283131506 /nfs/dbraw/zinc/13/15/06/283131506.db2.gz FHSZKLNIJRQPIB-HKUYNNGSSA-N 1 3 315.461 2.238 20 0 DEADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000370763329 283131240 /nfs/dbraw/zinc/13/12/40/283131240.db2.gz IYAWOQDRPKELGR-FSDCSDTHSA-N 1 3 305.466 2.040 20 0 DEADHO CCC[NH+]1CCC(N(C)C(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000171039045 355995737 /nfs/dbraw/zinc/99/57/37/355995737.db2.gz AWJDJJBFMSRXDC-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NCc2ccc(CN(C)C)cc2)CC1 ZINC000176973127 356009614 /nfs/dbraw/zinc/00/96/14/356009614.db2.gz PIZKPNNGTNYNMQ-UHFFFAOYSA-N 1 3 317.477 2.485 20 0 DEADHO CCN1CCC(CC[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC000183031741 356156582 /nfs/dbraw/zinc/15/65/82/356156582.db2.gz PHZBZMTZJIHMAS-HOTGVXAUSA-N 1 3 316.511 2.054 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)C[NH2+]C2CC2)N2CCCC2)cc1 ZINC000237877838 356301094 /nfs/dbraw/zinc/30/10/94/356301094.db2.gz QHQKMXJPXZKXCO-QGZVFWFLSA-N 1 3 301.434 2.000 20 0 DEADHO C[C@H](CC(=O)NC[C@@H](C)N1CCC(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000263273479 356344517 /nfs/dbraw/zinc/34/45/17/356344517.db2.gz PTVUKZVRSBEZEH-ZACQAIPSSA-N 1 3 309.498 2.249 20 0 DEADHO [NH3+]CCc1ccccc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000309981582 356411766 /nfs/dbraw/zinc/41/17/66/356411766.db2.gz PYJMSAYQZSKKHX-SFHVURJKSA-N 1 3 323.440 2.192 20 0 DEADHO Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H](C)CN1CCCC1 ZINC000314965737 356420241 /nfs/dbraw/zinc/42/02/41/356420241.db2.gz FFZKQYZOUSWTBN-DOTOQJQBSA-N 1 3 306.450 2.056 20 0 DEADHO C[C@H]1C[C@@H]1N1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@@H](C)C1 ZINC000346213683 291094791 /nfs/dbraw/zinc/09/47/91/291094791.db2.gz YRFUVDINZNNCGR-MPGHIAIKSA-N 1 3 319.493 2.050 20 0 DEADHO CCc1cccc(OC[C@H](O)CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000317423558 356434136 /nfs/dbraw/zinc/43/41/36/356434136.db2.gz OKKUREYVYGKMKV-USXIJHARSA-N 1 3 306.450 2.061 20 0 DEADHO CCc1cccc(OC[C@H](O)CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000317423558 356434141 /nfs/dbraw/zinc/43/41/41/356434141.db2.gz OKKUREYVYGKMKV-USXIJHARSA-N 1 3 306.450 2.061 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](C)[C@@H](N)c2ccccc2)C1 ZINC000236861775 202042218 /nfs/dbraw/zinc/04/22/18/202042218.db2.gz JLFWYUIZBNEMED-DJIMGWMZSA-N 1 3 303.450 2.265 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)[C@@H](N)CCSC)c1ccccc1 ZINC000236879485 202050081 /nfs/dbraw/zinc/05/00/81/202050081.db2.gz ZTDPMJLROARUKX-JKSUJKDBSA-N 1 3 323.506 2.266 20 0 DEADHO N[C@@H](CC(F)F)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423787812 283203845 /nfs/dbraw/zinc/20/38/45/283203845.db2.gz CSOOLWLTRIDEQF-AWEZNQCLSA-N 1 3 317.424 2.084 20 0 DEADHO C[NH2+]C[C@H](C)C(=O)Nc1ccc(OCCN2CCCC2)c(C)c1 ZINC000237080486 202146284 /nfs/dbraw/zinc/14/62/84/202146284.db2.gz WJNJAESJGFZGOX-HNNXBMFYSA-N 1 3 319.449 2.264 20 0 DEADHO CN(CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C)Cc1ccccc1 ZINC000386765414 356697917 /nfs/dbraw/zinc/69/79/17/356697917.db2.gz JGZYKJNUQQHDRF-INIZCTEOSA-N 1 3 303.450 2.013 20 0 DEADHO CCN(Cc1ccc(C(=O)N(C)[C@@H]2CC[NH2+]C2)cc1)C1CC1 ZINC000578130764 356765730 /nfs/dbraw/zinc/76/57/30/356765730.db2.gz BXYMWRIBJHNNHG-QGZVFWFLSA-N 1 3 301.434 2.105 20 0 DEADHO CN(C)CCOc1ccccc1C(=O)NCC1([NH3+])CCCCC1 ZINC000237184973 202180714 /nfs/dbraw/zinc/18/07/14/202180714.db2.gz DPKURVJKKHOZFX-UHFFFAOYSA-N 1 3 319.449 2.018 20 0 DEADHO NCc1cn([C@H]2CCC[N@H+](Cc3ccc(C4CC4)cc3)C2)nn1 ZINC000578738898 356864151 /nfs/dbraw/zinc/86/41/51/356864151.db2.gz LVYDCKIGLJMAQC-SFHVURJKSA-N 1 3 311.433 2.451 20 0 DEADHO NCc1cn([C@H]2CCC[N@@H+](Cc3ccc(C4CC4)cc3)C2)nn1 ZINC000578738898 356864155 /nfs/dbraw/zinc/86/41/55/356864155.db2.gz LVYDCKIGLJMAQC-SFHVURJKSA-N 1 3 311.433 2.451 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NC(C)(C)C3CC3)CC2)CC1 ZINC000578905163 356891138 /nfs/dbraw/zinc/89/11/38/356891138.db2.gz ANYOTXBCUAGHBH-UHFFFAOYSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000578978875 356900451 /nfs/dbraw/zinc/90/04/51/356900451.db2.gz MTOFKJDQKKBQLX-SRCQZFHVSA-N 1 3 318.465 2.193 20 0 DEADHO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000237250882 202204621 /nfs/dbraw/zinc/20/46/21/202204621.db2.gz VKUPBJUGSRDCIM-LLVKDONJSA-N 1 3 313.829 2.074 20 0 DEADHO C[C@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)C1=CCN(C)CC1 ZINC000581544285 357204196 /nfs/dbraw/zinc/20/41/96/357204196.db2.gz VSBXMSUMKTVSMW-GUYCJALGSA-N 1 3 308.853 2.483 20 0 DEADHO CC(C)(C(=O)NCCC[NH+]1CCCC1)[C@H](N)c1ccccc1 ZINC000581822758 357250357 /nfs/dbraw/zinc/25/03/57/357250357.db2.gz NOPNXFMNGWBYRU-MRXNPFEDSA-N 1 3 303.450 2.315 20 0 DEADHO Cc1ncc2c(n1)CC[C@H](N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C2 ZINC000581878540 357260705 /nfs/dbraw/zinc/26/07/05/357260705.db2.gz NFGBWCMIKJLCTA-CWLKWCNXSA-N 1 3 300.450 2.153 20 0 DEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000584834039 357318418 /nfs/dbraw/zinc/31/84/18/357318418.db2.gz NRRXTUOMUCLPGW-IRXDYDNUSA-N 1 3 309.498 2.129 20 0 DEADHO CC[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C(=O)NC ZINC000449769616 283279928 /nfs/dbraw/zinc/27/99/28/283279928.db2.gz DRGNOOPRLJBKAX-XLAORIBOSA-N 1 3 315.461 2.011 20 0 DEADHO CC[NH2+]CC1CCN(C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000655973887 540297411 /nfs/dbraw/zinc/29/74/11/540297411.db2.gz KCTDFKINGTWGDH-DLBZAZTESA-N 1 3 322.497 2.034 20 0 DEADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000655974237 540297579 /nfs/dbraw/zinc/29/75/79/540297579.db2.gz ODVQJVDKKOJASB-PMPSAXMXSA-N 1 3 310.486 2.018 20 0 DEADHO COC(=O)c1cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c[nH]1 ZINC000592433551 357875942 /nfs/dbraw/zinc/87/59/42/357875942.db2.gz ATCGXEBHMHRSIO-CABCVRRESA-N 1 3 305.422 2.013 20 0 DEADHO Cn1c(CN[C@H]2CC23CC[NH2+]CC3)nc2ccc(Cl)cc21 ZINC000666952452 540369494 /nfs/dbraw/zinc/36/94/94/540369494.db2.gz XAIORPXPHWSHLS-AWEZNQCLSA-N 1 3 304.825 2.458 20 0 DEADHO CC[N@@H+]1CC[C@@H](N[C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000496119739 283365925 /nfs/dbraw/zinc/36/59/25/283365925.db2.gz LWPDFYOVHJXJQE-QLFBSQMISA-N 1 3 311.470 2.316 20 0 DEADHO CC[N@H+]1CC[C@@H](N[C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000496119739 283365928 /nfs/dbraw/zinc/36/59/28/283365928.db2.gz LWPDFYOVHJXJQE-QLFBSQMISA-N 1 3 311.470 2.316 20 0 DEADHO CN(CCNC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1)C1CC1 ZINC000667158707 540404938 /nfs/dbraw/zinc/40/49/38/540404938.db2.gz GMRMOGVQTTWCRH-SFHVURJKSA-N 1 3 315.461 2.076 20 0 DEADHO CC[NH+]1CCC(CNC(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000667854138 540540109 /nfs/dbraw/zinc/54/01/09/540540109.db2.gz MQIXWGWYDOQKSA-UHFFFAOYSA-N 1 3 302.422 2.143 20 0 DEADHO CNCc1cccc(NC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000667783821 540525461 /nfs/dbraw/zinc/52/54/61/540525461.db2.gz GEZKHYNRDJFRPN-INIZCTEOSA-N 1 3 304.438 2.400 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000449317963 240353023 /nfs/dbraw/zinc/35/30/23/240353023.db2.gz UNOGLZSTTKRCKA-CRAIPNDOSA-N 1 3 315.461 2.144 20 0 DEADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(C)(C)N)cc2)C1 ZINC000237552915 202281684 /nfs/dbraw/zinc/28/16/84/202281684.db2.gz SKCHQRCZFRHSHV-CQSZACIVSA-N 1 3 303.450 2.272 20 0 DEADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C(C)(C)N)cc2)C1 ZINC000237552915 202281686 /nfs/dbraw/zinc/28/16/86/202281686.db2.gz SKCHQRCZFRHSHV-CQSZACIVSA-N 1 3 303.450 2.272 20 0 DEADHO COC(=O)c1cnc(C2CCN(CC[C@@H]3CC[NH2+]C3)CC2)s1 ZINC000600721302 359809763 /nfs/dbraw/zinc/80/97/63/359809763.db2.gz CDQBMIXOTSUUFU-LBPRGKRZSA-N 1 3 323.462 2.109 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000237900950 202384929 /nfs/dbraw/zinc/38/49/29/202384929.db2.gz VKOKNRFQTCAASX-KSZLIROESA-N 1 3 315.461 2.457 20 0 DEADHO CC[C@H]1CN(C(=O)NCC(C)(C)N2CCCCC2)CC[C@@H]1[NH3+] ZINC000668634155 540701527 /nfs/dbraw/zinc/70/15/27/540701527.db2.gz RCDPNBDTWICCAB-GJZGRUSLSA-N 1 3 310.486 2.020 20 0 DEADHO CC[NH2+]CCCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000669323270 540816352 /nfs/dbraw/zinc/81/63/52/540816352.db2.gz FWVCOGULRYUFBI-KRWDZBQOSA-N 1 3 318.465 2.122 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NC/C=C/C[NH3+])CC1 ZINC000669486952 540842704 /nfs/dbraw/zinc/84/27/04/540842704.db2.gz YUFPMWQGAVCMEZ-LLYBFZRZSA-N 1 3 316.449 2.026 20 0 DEADHO C[C@@H](CC[NH3+])NC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669483725 540841834 /nfs/dbraw/zinc/84/18/34/540841834.db2.gz KALZCEZDNDRXPJ-DOTOQJQBSA-N 1 3 318.465 2.250 20 0 DEADHO C[C@H]([NH3+])CCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669483559 540841921 /nfs/dbraw/zinc/84/19/21/540841921.db2.gz BFVJUHCQDVNAOQ-DOTOQJQBSA-N 1 3 318.465 2.250 20 0 DEADHO C[C@@H](NC(=O)N1CCC(C)([NH3+])CC1)[C@@H](c1ccccc1)N(C)C ZINC000669583287 540868909 /nfs/dbraw/zinc/86/89/09/540868909.db2.gz ARTLWHONBLCCHD-ZBFHGGJFSA-N 1 3 318.465 2.201 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H]4C[C@@H]4C3)CC2)CC1 ZINC000619365918 363773482 /nfs/dbraw/zinc/77/34/82/363773482.db2.gz DQKJZCUCTKVUHA-IAGOWNOFSA-N 1 3 319.493 2.051 20 0 DEADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCCn2cncn2)CC1 ZINC000628213250 366771040 /nfs/dbraw/zinc/77/10/40/366771040.db2.gz DCLFIBLIXMWCON-NVXWUHKLSA-N 1 3 305.470 2.301 20 0 DEADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CCCn2cncn2)CC1 ZINC000628213250 366771044 /nfs/dbraw/zinc/77/10/44/366771044.db2.gz DCLFIBLIXMWCON-NVXWUHKLSA-N 1 3 305.470 2.301 20 0 DEADHO CN1CCC[C@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000673876678 541154437 /nfs/dbraw/zinc/15/44/37/541154437.db2.gz SKFHBRCYSXRNCS-INIZCTEOSA-N 1 3 322.497 2.177 20 0 DEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000447965086 239195586 /nfs/dbraw/zinc/19/55/86/239195586.db2.gz OBMLASNVGHFMTQ-BZUAXINKSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448261276 239301882 /nfs/dbraw/zinc/30/18/82/239301882.db2.gz OXOBDUNZXJXYBP-OAGGEKHMSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448261276 239301892 /nfs/dbraw/zinc/30/18/92/239301892.db2.gz OXOBDUNZXJXYBP-OAGGEKHMSA-N 1 3 324.513 2.088 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000675194775 541300058 /nfs/dbraw/zinc/30/00/58/541300058.db2.gz QSGRRODLXIVEIM-IAGOWNOFSA-N 1 3 322.497 2.131 20 0 DEADHO CCOc1cncc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000621336814 364358109 /nfs/dbraw/zinc/35/81/09/364358109.db2.gz AAJRERDNVDVTPI-HZPDHXFCSA-N 1 3 321.465 2.459 20 0 DEADHO CN(C)[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000621641491 364484875 /nfs/dbraw/zinc/48/48/75/364484875.db2.gz LIGMIOXWDQNLIE-QZTJIDSGSA-N 1 3 317.477 2.055 20 0 DEADHO CC[C@H]1CN(C(=O)Nc2cccc(CN(C)C)c2)CC[C@H]1[NH3+] ZINC000623059081 364871121 /nfs/dbraw/zinc/87/11/21/364871121.db2.gz PZXVNEPMXVMJON-GOEBONIOSA-N 1 3 304.438 2.339 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000623067535 364873839 /nfs/dbraw/zinc/87/38/39/364873839.db2.gz HXYBIHUKVQVUEM-HLLBOEOZSA-N 1 3 316.449 2.258 20 0 DEADHO CCN1CCN(CCCC[NH2+]Cc2cccc3n[nH]cc32)CC1 ZINC000623356871 364999721 /nfs/dbraw/zinc/99/97/21/364999721.db2.gz MMPDZAGXICULCC-UHFFFAOYSA-N 1 3 315.465 2.070 20 0 DEADHO CN1CCCC[C@H](C[NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000623657357 365121569 /nfs/dbraw/zinc/12/15/69/365121569.db2.gz ORBBXMDSUBUNTP-QGZVFWFLSA-N 1 3 316.493 2.368 20 0 DEADHO CN(C)CC[NH+]1CCC(CN[C@@H]2CCCc3scnc32)CC1 ZINC000623887673 365210042 /nfs/dbraw/zinc/21/00/42/365210042.db2.gz JTVBJDTZSSJEJM-OAHLLOKOSA-N 1 3 322.522 2.384 20 0 DEADHO Cc1csc([C@H](C)NCC2CC[NH+](CCN(C)C)CC2)n1 ZINC000623887917 365212119 /nfs/dbraw/zinc/21/21/19/365212119.db2.gz QYYGNRGGBFSHMA-AWEZNQCLSA-N 1 3 310.511 2.376 20 0 DEADHO C[N@@H+]1CCC[C@@H](CCNC(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000624194527 365328876 /nfs/dbraw/zinc/32/88/76/365328876.db2.gz JZOGGAAOLWNOAY-RDJZCZTQSA-N 1 3 322.497 2.034 20 0 DEADHO C[N@H+]1CCC[C@@H](CCNC(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000624194527 365328879 /nfs/dbraw/zinc/32/88/79/365328879.db2.gz JZOGGAAOLWNOAY-RDJZCZTQSA-N 1 3 322.497 2.034 20 0 DEADHO C[N@@H+]1CCC[C@H](CCNC(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000624194528 365328904 /nfs/dbraw/zinc/32/89/04/365328904.db2.gz JZOGGAAOLWNOAY-WBVHZDCISA-N 1 3 322.497 2.034 20 0 DEADHO C[N@H+]1CCC[C@H](CCNC(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000624194528 365328908 /nfs/dbraw/zinc/32/89/08/365328908.db2.gz JZOGGAAOLWNOAY-WBVHZDCISA-N 1 3 322.497 2.034 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H](O)C2CCC2)CC1 ZINC000449738924 241014806 /nfs/dbraw/zinc/01/48/06/241014806.db2.gz HAHRYDCYDKBNIN-LJQANCHMSA-N 1 3 317.477 2.079 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000676542508 541468602 /nfs/dbraw/zinc/46/86/02/541468602.db2.gz NFSPYUIQKDAEAR-ZACQAIPSSA-N 1 3 324.513 2.233 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000676542508 541468606 /nfs/dbraw/zinc/46/86/06/541468606.db2.gz NFSPYUIQKDAEAR-ZACQAIPSSA-N 1 3 324.513 2.233 20 0 DEADHO Cc1[nH]c2ccc(F)cc2c1CCNC[C@@H](O)C[NH+]1CCCC1 ZINC000629603767 367271589 /nfs/dbraw/zinc/27/15/89/367271589.db2.gz PIXDTUBXSJMEPT-OAHLLOKOSA-N 1 3 319.424 2.204 20 0 DEADHO O[C@H](CN[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)C[NH+]1CCCC1 ZINC000629575482 367257932 /nfs/dbraw/zinc/25/79/32/367257932.db2.gz SFPAVACJQUTVEJ-RCCFBDPRSA-N 1 3 322.424 2.092 20 0 DEADHO CN(CC(=O)NCCC[N@H+](C)Cc1ccccc1)C1CCC1 ZINC000629943823 367387354 /nfs/dbraw/zinc/38/73/54/367387354.db2.gz CUSAEKDEVLYJNR-UHFFFAOYSA-N 1 3 303.450 2.109 20 0 DEADHO CN(CC(=O)NCCC[N@@H+](C)Cc1ccccc1)C1CCC1 ZINC000629943823 367387362 /nfs/dbraw/zinc/38/73/62/367387362.db2.gz CUSAEKDEVLYJNR-UHFFFAOYSA-N 1 3 303.450 2.109 20 0 DEADHO CCC(=O)CCC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000450741875 242170667 /nfs/dbraw/zinc/17/06/67/242170667.db2.gz YPVWVKUUDKBETJ-UHFFFAOYSA-N 1 3 309.498 2.095 20 0 DEADHO C[NH+](C)CCOc1ccc(CNC[C@@](C)(O)C(F)(F)F)cc1 ZINC000677662361 541613180 /nfs/dbraw/zinc/61/31/80/541613180.db2.gz KAHDOVNDTVCKNT-CQSZACIVSA-N 1 3 320.355 2.030 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)cc1 ZINC000677695821 541616888 /nfs/dbraw/zinc/61/68/88/541616888.db2.gz TXSFYLBBELGTAL-QZTJIDSGSA-N 1 3 304.434 2.284 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C1CCN(C)CC1 ZINC000631195344 368071145 /nfs/dbraw/zinc/07/11/45/368071145.db2.gz FOUSKMNOZXTIMD-AEFFLSMTSA-N 1 3 301.478 2.438 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)C[C@H](C)O1 ZINC000631597897 368303719 /nfs/dbraw/zinc/30/37/19/368303719.db2.gz WJNAAGUFLFJPPL-ADHGMGHFSA-N 1 3 322.493 2.423 20 0 DEADHO C[C@H](Cn1cncn1)[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000631661609 368331034 /nfs/dbraw/zinc/33/10/34/368331034.db2.gz ADBAJFZNGHODAH-LZLYRXPVSA-N 1 3 313.449 2.024 20 0 DEADHO C[C@H](Cn1cncn1)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631661609 368331043 /nfs/dbraw/zinc/33/10/43/368331043.db2.gz ADBAJFZNGHODAH-LZLYRXPVSA-N 1 3 313.449 2.024 20 0 DEADHO C[C@H](Cn1cncn1)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631661609 368331050 /nfs/dbraw/zinc/33/10/50/368331050.db2.gz ADBAJFZNGHODAH-LZLYRXPVSA-N 1 3 313.449 2.024 20 0 DEADHO O=C(CCC1CC[NH2+]CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000261539849 203074884 /nfs/dbraw/zinc/07/48/84/203074884.db2.gz DFRFKNJIEVCKIQ-GOSISDBHSA-N 1 3 315.461 2.157 20 0 DEADHO C[NH+](C)C1(CNC(=O)C[C@H](N)c2ccccc2)CCCCC1 ZINC000261853268 203134746 /nfs/dbraw/zinc/13/47/46/203134746.db2.gz DUYWCVFBIZHFIO-INIZCTEOSA-N 1 3 303.450 2.457 20 0 DEADHO CN1CCC(Nc2ccccc2NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000262629293 203356286 /nfs/dbraw/zinc/35/62/86/203356286.db2.gz DAEKRAIHNQOZDZ-ZIAGYGMSSA-N 1 3 316.449 2.259 20 0 DEADHO C[NH2+]CCCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000262633317 203357648 /nfs/dbraw/zinc/35/76/48/203357648.db2.gz GFYSKSSMMWBWFQ-NVXWUHKLSA-N 1 3 303.450 2.155 20 0 DEADHO COc1cccc(-c2n[nH]cc2C[NH2+]CC2=CCN(C)CC2)c1 ZINC000678941923 541787653 /nfs/dbraw/zinc/78/76/53/541787653.db2.gz VGGOROSWXWXXSY-UHFFFAOYSA-N 1 3 312.417 2.437 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)/C=C/CN(C)C)Cc1ccccc1 ZINC000264652250 204054927 /nfs/dbraw/zinc/05/49/27/204054927.db2.gz SQPSTVSXQXPQJO-HGZMWJMZSA-N 1 3 317.477 2.174 20 0 DEADHO Cc1c([C@@H](C)N[C@@H](C)CCC[NH3+])nnn1-c1ccc(F)cc1 ZINC000423471743 291588029 /nfs/dbraw/zinc/58/80/29/291588029.db2.gz ZRLKZFCZIWPHCN-NWDGAFQWSA-N 1 3 305.401 2.493 20 0 DEADHO C[C@H](NC(=O)N1CCN(C2CC2)C[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000458527111 248358278 /nfs/dbraw/zinc/35/82/78/248358278.db2.gz SNDDNBZQZYVSTE-CABCVRRESA-N 1 3 324.513 2.088 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+]2CCC[C@H]2C(C)(C)O)cc1 ZINC000681750974 542200578 /nfs/dbraw/zinc/20/05/78/542200578.db2.gz PALDMVZSTVHCRN-KRWDZBQOSA-N 1 3 306.450 2.362 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+]2CCC[C@H]2C(C)(C)O)cc1 ZINC000681750974 542200585 /nfs/dbraw/zinc/20/05/85/542200585.db2.gz PALDMVZSTVHCRN-KRWDZBQOSA-N 1 3 306.450 2.362 20 0 DEADHO CC(C)CN(CCN(C)C)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000043168272 183343004 /nfs/dbraw/zinc/34/30/04/183343004.db2.gz YMNOLDVTCKYVOL-UHFFFAOYSA-N 1 3 312.502 2.088 20 0 DEADHO CN1CCC(O)(C[NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000284372761 218001522 /nfs/dbraw/zinc/00/15/22/218001522.db2.gz OJNVCOLKZNVADE-IAGOWNOFSA-N 1 3 318.461 2.279 20 0 DEADHO C[NH+](C)CCCOc1cnccc1CNC1CCSCC1 ZINC000288589174 220267534 /nfs/dbraw/zinc/26/75/34/220267534.db2.gz OKUYGXNMXPCION-UHFFFAOYSA-N 1 3 309.479 2.397 20 0 DEADHO C[NH+](C)CCOc1ccc(CN2CC[C@@H](O)C(C)(C)C2)cc1 ZINC000682168889 542273942 /nfs/dbraw/zinc/27/39/42/542273942.db2.gz JOVVBFPHJQSPLW-QGZVFWFLSA-N 1 3 306.450 2.220 20 0 DEADHO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000268838886 207001861 /nfs/dbraw/zinc/00/18/61/207001861.db2.gz CDIWRVUSHBVQPL-LSDHHAIUSA-N 1 3 306.450 2.156 20 0 DEADHO COCCN(C)CC[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000268851635 207017653 /nfs/dbraw/zinc/01/76/53/207017653.db2.gz PJHDZPZMSKCYAV-MJGOQNOKSA-N 1 3 319.493 2.207 20 0 DEADHO COCCN(C)CCN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268851635 207017657 /nfs/dbraw/zinc/01/76/57/207017657.db2.gz PJHDZPZMSKCYAV-MJGOQNOKSA-N 1 3 319.493 2.207 20 0 DEADHO COCCN(C)CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268851635 207017662 /nfs/dbraw/zinc/01/76/62/207017662.db2.gz PJHDZPZMSKCYAV-MJGOQNOKSA-N 1 3 319.493 2.207 20 0 DEADHO C[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)[C@@H]1CCOC1 ZINC000268894128 207063194 /nfs/dbraw/zinc/06/31/94/207063194.db2.gz PQZFRBRPGLJGLO-NVXWUHKLSA-N 1 3 306.450 2.184 20 0 DEADHO CN1CCC(O)(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000268956863 207121523 /nfs/dbraw/zinc/12/15/23/207121523.db2.gz DRJWUJGQLDRTQG-MSOLQXFVSA-N 1 3 302.462 2.444 20 0 DEADHO COc1ccc(CC[C@@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000269002400 207158135 /nfs/dbraw/zinc/15/81/35/207158135.db2.gz PLTQMOALHIRZGR-OAHLLOKOSA-N 1 3 306.450 2.063 20 0 DEADHO CCN(CC)CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000061757767 184186813 /nfs/dbraw/zinc/18/68/13/184186813.db2.gz KYTVPTOYVUPKGS-UHFFFAOYSA-N 1 3 303.450 2.109 20 0 DEADHO CC[N@H+]1C[C@H](N[C@H](CN(C)C)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000342800102 207379668 /nfs/dbraw/zinc/37/96/68/207379668.db2.gz QPOZUXACRBLNNW-JCGIZDLHSA-N 1 3 305.466 2.228 20 0 DEADHO CC[N@@H+]1C[C@H](N[C@H](CN(C)C)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000342800102 207379675 /nfs/dbraw/zinc/37/96/75/207379675.db2.gz QPOZUXACRBLNNW-JCGIZDLHSA-N 1 3 305.466 2.228 20 0 DEADHO COc1ccc(OCC[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1 ZINC000158798928 197301659 /nfs/dbraw/zinc/30/16/59/197301659.db2.gz HGZNUFKPCSAOFW-QAPCUYQASA-N 1 3 304.434 2.490 20 0 DEADHO COc1ccc(OCC[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1 ZINC000158798928 197301661 /nfs/dbraw/zinc/30/16/61/197301661.db2.gz HGZNUFKPCSAOFW-QAPCUYQASA-N 1 3 304.434 2.490 20 0 DEADHO CC[C@@H](C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2)N(CC)CC ZINC000288723908 220372484 /nfs/dbraw/zinc/37/24/84/220372484.db2.gz KSJCLBOUTPGKOM-JQWIXIFHSA-N 1 3 310.467 2.018 20 0 DEADHO CCNC(=O)c1ccc(C[NH2+][C@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1 ZINC000156509544 197118488 /nfs/dbraw/zinc/11/84/88/197118488.db2.gz LLBGFHPWAJOQEG-VBQJREDUSA-N 1 3 303.450 2.255 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000448850957 285243710 /nfs/dbraw/zinc/24/37/10/285243710.db2.gz ACRIEAPIPAPEOE-XDNAFOTISA-N 1 3 321.509 2.297 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000448850957 285243711 /nfs/dbraw/zinc/24/37/11/285243711.db2.gz ACRIEAPIPAPEOE-XDNAFOTISA-N 1 3 321.509 2.297 20 0 DEADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)Cc1nc(C)cs1 ZINC000349037448 285251352 /nfs/dbraw/zinc/25/13/52/285251352.db2.gz RVUZWUHUEWURFS-OAHLLOKOSA-N 1 3 310.511 2.299 20 0 DEADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]C/C=C\c1ccccc1 ZINC001368654951 1148554757 /nfs/dbraw/zinc/55/47/57/1148554757.db2.gz JGBLZIJLHFGBEC-MDTOGDBOSA-N 1 3 324.428 2.102 20 0 DEADHO COc1cccc(CCC[NH+]2CCC(N(C)CCCO)CC2)c1 ZINC000120746148 195229230 /nfs/dbraw/zinc/22/92/30/195229230.db2.gz HZELMRLMKFKZEE-UHFFFAOYSA-N 1 3 320.477 2.406 20 0 DEADHO COCCOc1ccc([C@H](C)N[C@H](C)C[C@@H](C)[NH3+])cc1OC ZINC000422892512 533262318 /nfs/dbraw/zinc/26/23/18/533262318.db2.gz NECXAZORPFPSBL-MCIONIFRSA-N 1 3 310.438 2.497 20 0 DEADHO C[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)[C@@H]1CCCCN1 ZINC000422695319 533339742 /nfs/dbraw/zinc/33/97/42/533339742.db2.gz PKHLZDATDZAIHC-QAPCUYQASA-N 1 3 302.466 2.166 20 0 DEADHO C[C@@H](NC1CCN(Cc2ccncc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422695319 533339750 /nfs/dbraw/zinc/33/97/50/533339750.db2.gz PKHLZDATDZAIHC-QAPCUYQASA-N 1 3 302.466 2.166 20 0 DEADHO C[C@@H]([NH2+]CC1(N(C)C)CC1)c1cccc(OCCN(C)C)c1 ZINC000417351417 533360994 /nfs/dbraw/zinc/36/09/94/533360994.db2.gz CMMUUOCLASKVLW-OAHLLOKOSA-N 1 3 305.466 2.372 20 0 DEADHO C[C@@H](NCCC[N@@H+]1CCCN(C)CC1)c1ccncc1Cl ZINC000421825845 533382169 /nfs/dbraw/zinc/38/21/69/533382169.db2.gz PNAIWOOGYPGNAB-CQSZACIVSA-N 1 3 310.873 2.413 20 0 DEADHO C[C@@H](NCCC[N@H+]1CCCN(C)CC1)c1ccncc1Cl ZINC000421825845 533382176 /nfs/dbraw/zinc/38/21/76/533382176.db2.gz PNAIWOOGYPGNAB-CQSZACIVSA-N 1 3 310.873 2.413 20 0 DEADHO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CC[C@H]2CCCN2C)C1 ZINC000428775824 533636123 /nfs/dbraw/zinc/63/61/23/533636123.db2.gz CHLSGVHXTGWWJB-IEBWSBKVSA-N 1 3 316.445 2.287 20 0 DEADHO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](CC[C@H]2CCCN2C)C1 ZINC000428775824 533636128 /nfs/dbraw/zinc/63/61/28/533636128.db2.gz CHLSGVHXTGWWJB-IEBWSBKVSA-N 1 3 316.445 2.287 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H]2CCCc3cccnc32)CC1 ZINC000684954518 542690287 /nfs/dbraw/zinc/69/02/87/542690287.db2.gz WIQJWEZSFRLTPX-KRWDZBQOSA-N 1 3 302.466 2.076 20 0 DEADHO OC[C@H]1CCC[N@@H+]1CCCCN[C@H]1CCCc2cccnc21 ZINC000684955477 542690244 /nfs/dbraw/zinc/69/02/44/542690244.db2.gz NHEBARDXPNNVAY-SJORKVTESA-N 1 3 303.450 2.286 20 0 DEADHO OC[C@H]1CCC[N@H+]1CCCCN[C@H]1CCCc2cccnc21 ZINC000684955477 542690246 /nfs/dbraw/zinc/69/02/46/542690246.db2.gz NHEBARDXPNNVAY-SJORKVTESA-N 1 3 303.450 2.286 20 0 DEADHO C[C@@H](CNC(=O)CC[NH+](C)C)N(C)Cc1ccc(Cl)cc1 ZINC001422560290 1172710325 /nfs/dbraw/zinc/71/03/25/1172710325.db2.gz HXWNJCYLEGZTDL-ZDUSSCGKSA-N 1 3 311.857 2.228 20 0 DEADHO CCc1nc(CCN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)no1 ZINC000562748114 292008550 /nfs/dbraw/zinc/00/85/50/292008550.db2.gz WJZVJQMVIGHSMQ-CABCVRRESA-N 1 3 300.406 2.257 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cccc3c2CCNC3)C1 ZINC000562767900 292009564 /nfs/dbraw/zinc/00/95/64/292009564.db2.gz SKMZNONDKNZHTF-OAHLLOKOSA-N 1 3 316.449 2.280 20 0 DEADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000357873704 133106621 /nfs/dbraw/zinc/10/66/21/133106621.db2.gz QKTJAEXJNSYVMU-BZUAXINKSA-N 1 3 322.497 2.056 20 0 DEADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000357873704 133106622 /nfs/dbraw/zinc/10/66/22/133106622.db2.gz QKTJAEXJNSYVMU-BZUAXINKSA-N 1 3 322.497 2.056 20 0 DEADHO CCC[NH+]1CCC(N(C)C(=O)N[C@@H](C)C2=CCN(C)CC2)CC1 ZINC000358084406 133119637 /nfs/dbraw/zinc/11/96/37/133119637.db2.gz ZLVLCJKZOZSLSJ-HNNXBMFYSA-N 1 3 322.497 2.153 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN(C)[C@@H]2CCCC[C@H]2C)CC1 ZINC000358199918 133127566 /nfs/dbraw/zinc/12/75/66/133127566.db2.gz SGXGHQPMKLWKDQ-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN(C)[C@H]2CCCC[C@@H]2C)CC1 ZINC000358199919 133127864 /nfs/dbraw/zinc/12/78/64/133127864.db2.gz SGXGHQPMKLWKDQ-RDJZCZTQSA-N 1 3 309.498 2.486 20 0 DEADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2cccnc2)C[C@H]1C ZINC000358228496 133129975 /nfs/dbraw/zinc/12/99/75/133129975.db2.gz VOJZLMURNHNPCM-GDBMZVCRSA-N 1 3 304.438 2.215 20 0 DEADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2cccnc2)C[C@H]1C ZINC000358228496 133129976 /nfs/dbraw/zinc/12/99/76/133129976.db2.gz VOJZLMURNHNPCM-GDBMZVCRSA-N 1 3 304.438 2.215 20 0 DEADHO COCCN1CCC([NH2+]C[C@@H](c2ccco2)N2CCCC2)CC1 ZINC000359942458 133154398 /nfs/dbraw/zinc/15/43/98/133154398.db2.gz WALPPCOWQQCWBR-KRWDZBQOSA-N 1 3 321.465 2.117 20 0 DEADHO COCC[NH+]1CCC(NC[C@@H](c2ccco2)N2CCCC2)CC1 ZINC000359942458 133154399 /nfs/dbraw/zinc/15/43/99/133154399.db2.gz WALPPCOWQQCWBR-KRWDZBQOSA-N 1 3 321.465 2.117 20 0 DEADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)[C@@H](C)OC)CC1 ZINC000359989456 133156695 /nfs/dbraw/zinc/15/66/95/133156695.db2.gz YDYSPKCEMLFULC-IAGOWNOFSA-N 1 3 319.493 2.337 20 0 DEADHO C[C@@H](CN1CCCC1=O)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000360242977 133171270 /nfs/dbraw/zinc/17/12/70/133171270.db2.gz SROLYZTXKOMWMC-HNNXBMFYSA-N 1 3 307.482 2.384 20 0 DEADHO CC[C@]1(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)CC[NH2+]C1 ZINC000360466551 133184399 /nfs/dbraw/zinc/18/43/99/133184399.db2.gz MIJVZAQFEMKVAZ-WMZOPIPTSA-N 1 3 303.450 2.316 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CCCCC[NH2+]1)N(C)Cc1ccccc1 ZINC000376334707 133291051 /nfs/dbraw/zinc/29/10/51/133291051.db2.gz QMNVHXJNGHJORJ-WBVHZDCISA-N 1 3 303.450 2.155 20 0 DEADHO C[C@@H](CNC(=O)[C@@H]1CCCCC[NH2+]1)N(C)Cc1ccccc1 ZINC000376334705 133291259 /nfs/dbraw/zinc/29/12/59/133291259.db2.gz QMNVHXJNGHJORJ-RDJZCZTQSA-N 1 3 303.450 2.155 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](CNC[C@@H](O)COCc2ccccc2)C1 ZINC000562988917 292022165 /nfs/dbraw/zinc/02/21/65/292022165.db2.gz DDFCKSMGDPKXCA-RBUKOAKNSA-N 1 3 320.477 2.132 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](CNC[C@@H](O)COCc2ccccc2)C1 ZINC000562988917 292022167 /nfs/dbraw/zinc/02/21/67/292022167.db2.gz DDFCKSMGDPKXCA-RBUKOAKNSA-N 1 3 320.477 2.132 20 0 DEADHO N[C@@H](CC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000377345156 133326674 /nfs/dbraw/zinc/32/66/74/133326674.db2.gz KBGYFGDGJZAOJS-IRXDYDNUSA-N 1 3 301.434 2.067 20 0 DEADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000563536701 292061996 /nfs/dbraw/zinc/06/19/96/292061996.db2.gz DIPSUCUACSZSGU-HUUCEWRRSA-N 1 3 303.450 2.141 20 0 DEADHO Cc1nc(C)c(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)s1 ZINC000563693230 292069946 /nfs/dbraw/zinc/06/99/46/292069946.db2.gz VEQSPPGFFJNSFF-ZBFHGGJFSA-N 1 3 309.479 2.478 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)C1 ZINC000564225717 292089434 /nfs/dbraw/zinc/08/94/34/292089434.db2.gz LJKLUYBXEBHVOW-ILOCAZANSA-N 1 3 313.445 2.003 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001422619714 1172768911 /nfs/dbraw/zinc/76/89/11/1172768911.db2.gz YBJDTVDKMJOPNB-CQSZACIVSA-N 1 3 309.429 2.069 20 0 DEADHO CC(C)[C@H](C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)[NH+](C)C ZINC000565027090 292128127 /nfs/dbraw/zinc/12/81/27/292128127.db2.gz IXZYXAJGZVZQDV-QZTJIDSGSA-N 1 3 317.477 2.306 20 0 DEADHO COc1cc(NCCN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc(OC)c1 ZINC000246319304 145098518 /nfs/dbraw/zinc/09/85/18/145098518.db2.gz FEBUCYYYXAKRLL-PMUMKWKESA-N 1 3 321.465 2.434 20 0 DEADHO COc1cc(NCCN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc(OC)c1 ZINC000246319304 145098519 /nfs/dbraw/zinc/09/85/19/145098519.db2.gz FEBUCYYYXAKRLL-PMUMKWKESA-N 1 3 321.465 2.434 20 0 DEADHO CCN1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)[C@@H](C)C1 ZINC000246876500 145118081 /nfs/dbraw/zinc/11/80/81/145118081.db2.gz CUVJDUDZDALWCN-UXLLHSPISA-N 1 3 301.434 2.112 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)N(C)C ZINC000247152289 145127768 /nfs/dbraw/zinc/12/77/68/145127768.db2.gz XCEKVMXNNVIUIQ-RYQLBKOJSA-N 1 3 317.477 2.496 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)N(C)C ZINC000247152289 145127769 /nfs/dbraw/zinc/12/77/69/145127769.db2.gz XCEKVMXNNVIUIQ-RYQLBKOJSA-N 1 3 317.477 2.496 20 0 DEADHO CC[N@@H+]1CC[C@H](NCCNC(=O)c2ccccc2Cl)[C@@H](C)C1 ZINC000248183225 145150282 /nfs/dbraw/zinc/15/02/82/145150282.db2.gz WVCAXKQEUGXWSS-BBRMVZONSA-N 1 3 323.868 2.390 20 0 DEADHO CC[N@H+]1CC[C@H](NCCNC(=O)c2ccccc2Cl)[C@@H](C)C1 ZINC000248183225 145150284 /nfs/dbraw/zinc/15/02/84/145150284.db2.gz WVCAXKQEUGXWSS-BBRMVZONSA-N 1 3 323.868 2.390 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)N(CC)CC ZINC000261627651 145211762 /nfs/dbraw/zinc/21/17/62/145211762.db2.gz DPJRLUJNPFLVSN-BBWFWOEESA-N 1 3 303.450 2.060 20 0 DEADHO Cc1ccc(N2CCC[C@H](N[C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)C2)nn1 ZINC000358127407 292134165 /nfs/dbraw/zinc/13/41/65/292134165.db2.gz JTXCEENGDBGHKR-QSPRXWTASA-N 1 3 317.481 2.072 20 0 DEADHO Cc1ccc(N2CCC[C@H](N[C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)C2)nn1 ZINC000358127407 292134166 /nfs/dbraw/zinc/13/41/66/292134166.db2.gz JTXCEENGDBGHKR-QSPRXWTASA-N 1 3 317.481 2.072 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261706697 145219305 /nfs/dbraw/zinc/21/93/05/145219305.db2.gz IXKQYNYHJGTBNZ-LAVFITLUSA-N 1 3 315.461 2.456 20 0 DEADHO Cc1ccc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261901225 145239791 /nfs/dbraw/zinc/23/97/91/145239791.db2.gz OWVAZAHMLOUOEF-MSOLQXFVSA-N 1 3 315.461 2.075 20 0 DEADHO Cc1cccc(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000261950493 145246047 /nfs/dbraw/zinc/24/60/47/145246047.db2.gz WFBQAGRVCSCQRE-ZWKOTPCHSA-N 1 3 315.461 2.075 20 0 DEADHO Cc1cc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)c2ccccc2n1 ZINC000261963171 145247583 /nfs/dbraw/zinc/24/75/83/145247583.db2.gz XZBQMEUOJCQMEJ-QGZVFWFLSA-N 1 3 310.445 2.023 20 0 DEADHO [NH3+]Cc1ccc(NC(=O)N2CCN(C3CCCC3)CC2)cc1 ZINC000261989638 145250855 /nfs/dbraw/zinc/25/08/55/145250855.db2.gz SSIQKRLHHJIMAY-UHFFFAOYSA-N 1 3 302.422 2.237 20 0 DEADHO Cc1cc(Cl)cc(C)c1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262148854 145266317 /nfs/dbraw/zinc/26/63/17/145266317.db2.gz QUKSMJXPCCOIHZ-MRXNPFEDSA-N 1 3 307.869 2.436 20 0 DEADHO C[C@H](C(=O)NC[C@@H]1CCCCN1Cc1ccccc1)C1C[NH2+]C1 ZINC000262315322 145275501 /nfs/dbraw/zinc/27/55/01/145275501.db2.gz DIURFJIVPJWJMK-YJBOKZPZSA-N 1 3 315.461 2.013 20 0 DEADHO CC(C)C[C@H](N)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000262998441 145316866 /nfs/dbraw/zinc/31/68/66/145316866.db2.gz PIZPVEJIXPRFRP-LBPRGKRZSA-N 1 3 303.328 2.476 20 0 DEADHO Cc1nccn1CCN1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000348330734 146256508 /nfs/dbraw/zinc/25/65/08/146256508.db2.gz PJQYBLWCSUYHIR-OALUTQOASA-N 1 3 310.445 2.255 20 0 DEADHO Cc1nccn1CC[NH+]1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC000348330734 146256509 /nfs/dbraw/zinc/25/65/09/146256509.db2.gz PJQYBLWCSUYHIR-OALUTQOASA-N 1 3 310.445 2.255 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(C/C=C/c1ccncc1)CCN(C)C ZINC000349063134 146345988 /nfs/dbraw/zinc/34/59/88/146345988.db2.gz PIWJQBDFNIFHNO-WSSFADSRSA-N 1 3 316.493 2.443 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(C/C=C/c1ccncc1)CCN(C)C ZINC000349063134 146345989 /nfs/dbraw/zinc/34/59/89/146345989.db2.gz PIWJQBDFNIFHNO-WSSFADSRSA-N 1 3 316.493 2.443 20 0 DEADHO C[C@H](C(=O)NCc1ccccc1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357098297 147041427 /nfs/dbraw/zinc/04/14/27/147041427.db2.gz AKRHIALXLQUKJM-QAPCUYQASA-N 1 3 315.461 2.013 20 0 DEADHO C[C@@H](C(=O)NC1CCCCC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357105964 147042569 /nfs/dbraw/zinc/04/25/69/147042569.db2.gz PGGWZRBJDXZQRO-HOCLYGCPSA-N 1 3 307.482 2.145 20 0 DEADHO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC[C@H]1NCCc2ccccc21 ZINC000357248633 147072513 /nfs/dbraw/zinc/07/25/13/147072513.db2.gz RJIGLCAGLZGRRK-KZNAEPCWSA-N 1 3 315.461 2.287 20 0 DEADHO CN(CC1CCN(C)CC1)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000358256309 147102687 /nfs/dbraw/zinc/10/26/87/147102687.db2.gz DIMOKQUHPCBQSE-UHFFFAOYSA-N 1 3 324.513 2.092 20 0 DEADHO C[C@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)[C@@H]1CCCOC1 ZINC000359220925 147284998 /nfs/dbraw/zinc/28/49/98/147284998.db2.gz CCMUBYIEHVCRPH-IPELMVKDSA-N 1 3 318.461 2.158 20 0 DEADHO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@@H](c2ccccc2)C2CC2)C1 ZINC000359375128 147317213 /nfs/dbraw/zinc/31/72/13/147317213.db2.gz RKAGLASPOSDSNP-MSOLQXFVSA-N 1 3 315.461 2.315 20 0 DEADHO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@@H](c2ccccc2)C2CC2)C1 ZINC000359375128 147317215 /nfs/dbraw/zinc/31/72/15/147317215.db2.gz RKAGLASPOSDSNP-MSOLQXFVSA-N 1 3 315.461 2.315 20 0 DEADHO CN1CCC(C(=O)NC(C)(C)CC[NH+]2CCCCCC2)CC1 ZINC000359554168 147349934 /nfs/dbraw/zinc/34/99/34/147349934.db2.gz VVKJHZTTXYZBGF-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO O=C(NC[C@@H](CO)c1ccccc1)C1C[NH+](C2CCCCC2)C1 ZINC000565702061 292176656 /nfs/dbraw/zinc/17/66/56/292176656.db2.gz VJTRBOMZXJXAIC-INIZCTEOSA-N 1 3 316.445 2.143 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[C@]12CC[NH2+]C2)c1ccsc1 ZINC000372440174 148209555 /nfs/dbraw/zinc/20/95/55/148209555.db2.gz WWWPCZUDKVLFSP-INMHGKMJSA-N 1 3 321.490 2.247 20 0 DEADHO C[C@@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@H](N)c1ccccc1 ZINC000565940728 292192373 /nfs/dbraw/zinc/19/23/73/292192373.db2.gz PSASWOMHXFMEAI-FDPIWHGQSA-N 1 3 323.440 2.194 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NCCC[NH+]2CCC(C)CC2)CN1C1CC1 ZINC000127362133 401731272 /nfs/dbraw/zinc/73/12/72/401731272.db2.gz MDCRXKWHZLHESC-CVEARBPZSA-N 1 3 322.497 2.033 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126520991 401698241 /nfs/dbraw/zinc/69/82/41/401698241.db2.gz XHYCYERNJCOGIV-KBAYOESNSA-N 1 3 319.493 2.336 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126520991 401698243 /nfs/dbraw/zinc/69/82/43/401698243.db2.gz XHYCYERNJCOGIV-KBAYOESNSA-N 1 3 319.493 2.336 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000126665851 401703302 /nfs/dbraw/zinc/70/33/02/401703302.db2.gz DFLROOJUXHDPIG-AEFFLSMTSA-N 1 3 319.493 2.194 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000126665851 401703305 /nfs/dbraw/zinc/70/33/05/401703305.db2.gz DFLROOJUXHDPIG-AEFFLSMTSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@H](CC[NH2+]C[C@@H](O)COc1ccccc1)N1CCCCC1 ZINC000566132048 292208894 /nfs/dbraw/zinc/20/88/94/292208894.db2.gz JFNNKWZKRXIFQV-IAGOWNOFSA-N 1 3 306.450 2.280 20 0 DEADHO CC1CC[NH+](CCCNC(=O)N(C)C[C@H]2CCCN(C)C2)CC1 ZINC000115788786 401837077 /nfs/dbraw/zinc/83/70/77/401837077.db2.gz NUPWNBQPEGENLU-KRWDZBQOSA-N 1 3 324.513 2.092 20 0 DEADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCC(C)(C)N1CCCCC1 ZINC000115784988 401837133 /nfs/dbraw/zinc/83/71/33/401837133.db2.gz GMZMCNGZBGUKBM-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCC(C)(C)N1CCCCC1 ZINC000115784988 401837134 /nfs/dbraw/zinc/83/71/34/401837134.db2.gz GMZMCNGZBGUKBM-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCCN(C)C2)CC1 ZINC000115815640 401837501 /nfs/dbraw/zinc/83/75/01/401837501.db2.gz IMBSITARLXBFIY-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO Cc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c(F)c1 ZINC000119723399 401964111 /nfs/dbraw/zinc/96/41/11/401964111.db2.gz ICIZMCHZZHEERZ-UHFFFAOYSA-N 1 3 310.417 2.091 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@H](CC(C)C)C2)CC1 ZINC000119280015 401938177 /nfs/dbraw/zinc/93/81/77/401938177.db2.gz QFWHMWUDPXECPI-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000044534830 401945108 /nfs/dbraw/zinc/94/51/08/401945108.db2.gz XFKROCGERCDLTI-KBPBESRZSA-N 1 3 310.463 2.083 20 0 DEADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2cnc(C)nc2C)CC1 ZINC000121205515 402020517 /nfs/dbraw/zinc/02/05/17/402020517.db2.gz SVKFQOPRGVHKIY-HUUCEWRRSA-N 1 3 319.497 2.018 20 0 DEADHO CCOC(=O)N1CCC([NH2+]C[C@H](C)CN2CCCCC2)CC1 ZINC000121590783 402046028 /nfs/dbraw/zinc/04/60/28/402046028.db2.gz TVXBGJZQWNTLSQ-HNNXBMFYSA-N 1 3 311.470 2.319 20 0 DEADHO CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000122984499 402104532 /nfs/dbraw/zinc/10/45/32/402104532.db2.gz RTLMIZCXVLINNL-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CCN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000122157365 402064064 /nfs/dbraw/zinc/06/40/64/402064064.db2.gz OWOXIVIXZFYJMA-KFWWJZLASA-N 1 3 311.470 2.364 20 0 DEADHO CC[N@@H+]1CC[C@H](CN[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000122157365 402064067 /nfs/dbraw/zinc/06/40/67/402064067.db2.gz OWOXIVIXZFYJMA-KFWWJZLASA-N 1 3 311.470 2.364 20 0 DEADHO CC[N@H+]1CC[C@H](CN[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000122157365 402064069 /nfs/dbraw/zinc/06/40/69/402064069.db2.gz OWOXIVIXZFYJMA-KFWWJZLASA-N 1 3 311.470 2.364 20 0 DEADHO CCN(C)CCNC(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000066987957 402149250 /nfs/dbraw/zinc/14/92/50/402149250.db2.gz SUVKSRNIEFESAG-UHFFFAOYSA-N 1 3 320.481 2.279 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccccc2OC)CC1 ZINC000154261347 402202296 /nfs/dbraw/zinc/20/22/96/402202296.db2.gz DMJGFICXGVSFGB-INIZCTEOSA-N 1 3 305.466 2.373 20 0 DEADHO CCN(CCNC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)C1CC1 ZINC000126137826 402266120 /nfs/dbraw/zinc/26/61/20/402266120.db2.gz VNAJNVHKMNCYCF-INIZCTEOSA-N 1 3 324.513 2.138 20 0 DEADHO CCN(CCNC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1)C1CC1 ZINC000126137826 402266122 /nfs/dbraw/zinc/26/61/22/402266122.db2.gz VNAJNVHKMNCYCF-INIZCTEOSA-N 1 3 324.513 2.138 20 0 DEADHO CCN(CCNC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1)C1CC1 ZINC000126138008 402266150 /nfs/dbraw/zinc/26/61/50/402266150.db2.gz VNAJNVHKMNCYCF-MRXNPFEDSA-N 1 3 324.513 2.138 20 0 DEADHO CCN(CCNC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1)C1CC1 ZINC000126138008 402266152 /nfs/dbraw/zinc/26/61/52/402266152.db2.gz VNAJNVHKMNCYCF-MRXNPFEDSA-N 1 3 324.513 2.138 20 0 DEADHO [NH3+]CC1(O)CCN(CCOc2ccc3ccccc3c2)CC1 ZINC000071655985 402276595 /nfs/dbraw/zinc/27/65/95/402276595.db2.gz TXOLXCRZUKTZBR-UHFFFAOYSA-N 1 3 300.402 2.004 20 0 DEADHO C[NH+](C)C1(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CCCC1 ZINC000225876988 402324892 /nfs/dbraw/zinc/32/48/92/402324892.db2.gz FABQYPJCTWDQDR-CQSZACIVSA-N 1 3 311.470 2.460 20 0 DEADHO CCOC[C@H](O)CN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000159054069 402316531 /nfs/dbraw/zinc/31/65/31/402316531.db2.gz TXDOSEOFDYMBOB-FUHWJXTLSA-N 1 3 312.498 2.360 20 0 DEADHO CCOC[C@H](O)CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000159054069 402316535 /nfs/dbraw/zinc/31/65/35/402316535.db2.gz TXDOSEOFDYMBOB-FUHWJXTLSA-N 1 3 312.498 2.360 20 0 DEADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CNC1CC1 ZINC000236895108 402387201 /nfs/dbraw/zinc/38/72/01/402387201.db2.gz HXLWEMUSLUQQKD-QGZVFWFLSA-N 1 3 315.461 2.109 20 0 DEADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CNC1CC1 ZINC000236895108 402387203 /nfs/dbraw/zinc/38/72/03/402387203.db2.gz HXLWEMUSLUQQKD-QGZVFWFLSA-N 1 3 315.461 2.109 20 0 DEADHO CC[C@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000236915559 402387843 /nfs/dbraw/zinc/38/78/43/402387843.db2.gz KJDBZQZGWFCVFH-YOEHRIQHSA-N 1 3 303.450 2.415 20 0 DEADHO CC[C@H](N)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000236915559 402387845 /nfs/dbraw/zinc/38/78/45/402387845.db2.gz KJDBZQZGWFCVFH-YOEHRIQHSA-N 1 3 303.450 2.415 20 0 DEADHO CCCC[C@H]([NH3+])C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000236786721 402382516 /nfs/dbraw/zinc/38/25/16/402382516.db2.gz WQNHPGNQKMFXPX-YOEHRIQHSA-N 1 3 318.465 2.241 20 0 DEADHO C[C@H](CNC(=O)[C@@]1(C)CCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000237453538 402409126 /nfs/dbraw/zinc/40/91/26/402409126.db2.gz NWPUVBISGDAXOE-QAPCUYQASA-N 1 3 303.450 2.013 20 0 DEADHO CC(C)[C@@H](O)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000177583655 402418105 /nfs/dbraw/zinc/41/81/05/402418105.db2.gz WELPPHQABBANJT-IBGZPJMESA-N 1 3 319.493 2.324 20 0 DEADHO CC(C)[C@@H](O)CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000177583655 402418107 /nfs/dbraw/zinc/41/81/07/402418107.db2.gz WELPPHQABBANJT-IBGZPJMESA-N 1 3 319.493 2.324 20 0 DEADHO N[C@@H](CC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000237898083 402425292 /nfs/dbraw/zinc/42/52/92/402425292.db2.gz XPPQGLAQQFKSNG-MSOLQXFVSA-N 1 3 315.461 2.457 20 0 DEADHO N[C@@H](CC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000237898083 402425296 /nfs/dbraw/zinc/42/52/96/402425296.db2.gz XPPQGLAQQFKSNG-MSOLQXFVSA-N 1 3 315.461 2.457 20 0 DEADHO [NH3+]Cc1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000237966183 402428798 /nfs/dbraw/zinc/42/87/98/402428798.db2.gz UCHUBTRBHFSUKQ-UHFFFAOYSA-N 1 3 323.440 2.324 20 0 DEADHO O=C(NCc1ccccc1CN1CCCCC1)C1CC[NH2+]CC1 ZINC000238029472 402433048 /nfs/dbraw/zinc/43/30/48/402433048.db2.gz PQKOULYCFJTFEL-UHFFFAOYSA-N 1 3 315.461 2.288 20 0 DEADHO [NH3+][C@H]1CCC[C@H](C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000238040921 402434225 /nfs/dbraw/zinc/43/42/25/402434225.db2.gz XQCVYUVMSFYUDK-WMZOPIPTSA-N 1 3 315.461 2.069 20 0 DEADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000177793381 402436718 /nfs/dbraw/zinc/43/67/18/402436718.db2.gz DUGUGMRMTDCXIG-ANQUJSFKSA-N 1 3 301.434 2.110 20 0 DEADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+][C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000177793415 402436984 /nfs/dbraw/zinc/43/69/84/402436984.db2.gz DUGUGMRMTDCXIG-KCYZZUKISA-N 1 3 301.434 2.110 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCN(CCOc2ccc(Br)cc2)C1 ZINC000163239619 402445267 /nfs/dbraw/zinc/44/52/67/402445267.db2.gz FXBUGGOCSJMRRT-RYUDHWBXSA-N 1 3 313.239 2.497 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)C1 ZINC000245201974 402452060 /nfs/dbraw/zinc/45/20/60/402452060.db2.gz NWWXTFLARRRTGZ-LUKYLMHMSA-N 1 3 309.498 2.484 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)C1 ZINC000245201974 402452062 /nfs/dbraw/zinc/45/20/62/402452062.db2.gz NWWXTFLARRRTGZ-LUKYLMHMSA-N 1 3 309.498 2.484 20 0 DEADHO CC(=O)N[C@@H](C)C1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000566351897 292231946 /nfs/dbraw/zinc/23/19/46/292231946.db2.gz KBMYZKANXRQMDY-AWEZNQCLSA-N 1 3 315.461 2.069 20 0 DEADHO CCO[C@@H]1C[C@](N)(C(=O)Nc2cccc(CN(C)C)c2)C1(C)C ZINC000186711179 402458274 /nfs/dbraw/zinc/45/82/74/402458274.db2.gz SOMTYCAMWGWOSL-QAPCUYQASA-N 1 3 319.449 2.219 20 0 DEADHO CCO[C@@H]1C[C@](N)(C(=O)Nc2cccc(C[NH+](C)C)c2)C1(C)C ZINC000186711179 402458277 /nfs/dbraw/zinc/45/82/77/402458277.db2.gz SOMTYCAMWGWOSL-QAPCUYQASA-N 1 3 319.449 2.219 20 0 DEADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCCN1 ZINC000164605597 402465745 /nfs/dbraw/zinc/46/57/45/402465745.db2.gz MXIPUSRLPICAMK-QGZVFWFLSA-N 1 3 303.450 2.285 20 0 DEADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCCN1 ZINC000164605597 402465748 /nfs/dbraw/zinc/46/57/48/402465748.db2.gz MXIPUSRLPICAMK-QGZVFWFLSA-N 1 3 303.450 2.285 20 0 DEADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C3(N)CC3)cc2)C1 ZINC000164598262 402465808 /nfs/dbraw/zinc/46/58/08/402465808.db2.gz CILIBXXEHMVLJS-AWEZNQCLSA-N 1 3 301.434 2.026 20 0 DEADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C3(N)CC3)cc2)C1 ZINC000164598262 402465810 /nfs/dbraw/zinc/46/58/10/402465810.db2.gz CILIBXXEHMVLJS-AWEZNQCLSA-N 1 3 301.434 2.026 20 0 DEADHO C[C@@H](N)C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000164845157 402469535 /nfs/dbraw/zinc/46/95/35/402469535.db2.gz HTNHTSCUFQRWDE-QLFBSQMISA-N 1 3 303.450 2.128 20 0 DEADHO C[C@@H](N)C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000164845157 402469537 /nfs/dbraw/zinc/46/95/37/402469537.db2.gz HTNHTSCUFQRWDE-QLFBSQMISA-N 1 3 303.450 2.128 20 0 DEADHO CCN(CC)Cc1cccc(NC(=O)C2(OC)CC[NH2+]CC2)c1 ZINC000165129156 402473419 /nfs/dbraw/zinc/47/34/19/402473419.db2.gz YIQLNPCHALJBDM-UHFFFAOYSA-N 1 3 319.449 2.236 20 0 DEADHO CN(C(=O)[C@@H]1CCC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000167667292 402493262 /nfs/dbraw/zinc/49/32/62/402493262.db2.gz KWGWISMUZVALDT-QGZVFWFLSA-N 1 3 315.461 2.109 20 0 DEADHO CC[C@H](N)C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000169092216 402499961 /nfs/dbraw/zinc/49/99/61/402499961.db2.gz LOIPFWGBXDDDAI-HNNXBMFYSA-N 1 3 305.422 2.145 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000178877377 402549617 /nfs/dbraw/zinc/54/96/17/402549617.db2.gz OAKWUKQOIVPLQE-PBHICJAKSA-N 1 3 318.465 2.140 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000178877377 402549621 /nfs/dbraw/zinc/54/96/21/402549621.db2.gz OAKWUKQOIVPLQE-PBHICJAKSA-N 1 3 318.465 2.140 20 0 DEADHO CCCN(C(=O)c1cccc(CN2CCCC2)c1)[C@H]1CC[NH2+]C1 ZINC000178923815 402555687 /nfs/dbraw/zinc/55/56/87/402555687.db2.gz OKTPEGQKLUWFMU-SFHVURJKSA-N 1 3 315.461 2.497 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000247404501 402566262 /nfs/dbraw/zinc/56/62/62/402566262.db2.gz ICZDPZIGMLBSKI-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)CC1 ZINC000246173153 402515171 /nfs/dbraw/zinc/51/51/71/402515171.db2.gz GCUKMWFPTBJBQI-WBVHZDCISA-N 1 3 324.513 2.233 20 0 DEADHO COC[C@H](NC1CC[NH+](C2CCCC2)CC1)C1CCOCC1 ZINC000188111252 402515330 /nfs/dbraw/zinc/51/53/30/402515330.db2.gz RNJIUIMQYBEWCB-SFHVURJKSA-N 1 3 310.482 2.425 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000246357770 402526902 /nfs/dbraw/zinc/52/69/02/402526902.db2.gz PQMVEZSUSYYVSW-SJORKVTESA-N 1 3 324.513 2.092 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000246357770 402526904 /nfs/dbraw/zinc/52/69/04/402526904.db2.gz PQMVEZSUSYYVSW-SJORKVTESA-N 1 3 324.513 2.092 20 0 DEADHO C[C@@H](C(=O)NC1CC[NH+](CC2CC2)CC1)[C@@H](N)c1ccccc1 ZINC000178707653 402528628 /nfs/dbraw/zinc/52/86/28/402528628.db2.gz NSSULHKNKXVNDR-RDTXWAMCSA-N 1 3 315.461 2.313 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000246511533 402534860 /nfs/dbraw/zinc/53/48/60/402534860.db2.gz XAXHBPVLAASPPS-DLBZAZTESA-N 1 3 322.497 2.034 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000246511533 402534862 /nfs/dbraw/zinc/53/48/62/402534862.db2.gz XAXHBPVLAASPPS-DLBZAZTESA-N 1 3 322.497 2.034 20 0 DEADHO CC(C)N1CCC([NH2+]CC2(N3CCCCC3)CCOCC2)CC1 ZINC000180462979 402617419 /nfs/dbraw/zinc/61/74/19/402617419.db2.gz DWQPGVAOLFFYJF-UHFFFAOYSA-N 1 3 323.525 2.484 20 0 DEADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000566438630 292240372 /nfs/dbraw/zinc/24/03/72/292240372.db2.gz RBXCQJVNBXFXHF-DOTOQJQBSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000566438630 292240375 /nfs/dbraw/zinc/24/03/75/292240375.db2.gz RBXCQJVNBXFXHF-DOTOQJQBSA-N 1 3 315.461 2.107 20 0 DEADHO CCO[C@@H]1C[C@@H]([NH2+]CCCN2CCCN(C)CC2)C12CCCC2 ZINC000181705447 402654577 /nfs/dbraw/zinc/65/45/77/402654577.db2.gz AYVLZRJOXBYEMT-QZTJIDSGSA-N 1 3 323.525 2.341 20 0 DEADHO O=C(CC[C@@H]1CC[NH2+]C1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000261803193 402717777 /nfs/dbraw/zinc/71/77/77/402717777.db2.gz FUZCEGDLPCUVTP-SJLPKXTDSA-N 1 3 315.461 2.329 20 0 DEADHO C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261831991 402718118 /nfs/dbraw/zinc/71/81/18/402718118.db2.gz BRMPEOZHNNPWKO-INMHGKMJSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@]1(C[NH3+])CCN(CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000261905754 402719530 /nfs/dbraw/zinc/71/95/30/402719530.db2.gz XAGGYSUYZNGSIT-IEBWSBKVSA-N 1 3 315.461 2.241 20 0 DEADHO C[C@]1(CN)CC[N@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000261905754 402719532 /nfs/dbraw/zinc/71/95/32/402719532.db2.gz XAGGYSUYZNGSIT-IEBWSBKVSA-N 1 3 315.461 2.241 20 0 DEADHO C[C@]1(CN)CC[N@@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000261905754 402719534 /nfs/dbraw/zinc/71/95/34/402719534.db2.gz XAGGYSUYZNGSIT-IEBWSBKVSA-N 1 3 315.461 2.241 20 0 DEADHO C[C@H](C[NH3+])C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000262509500 402726758 /nfs/dbraw/zinc/72/67/58/402726758.db2.gz JKQZBMPLDGVEHJ-PBHICJAKSA-N 1 3 317.477 2.170 20 0 DEADHO C[NH2+]CCC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000262549565 402727327 /nfs/dbraw/zinc/72/73/27/402727327.db2.gz OLWWUJUOTPOFEG-AWEZNQCLSA-N 1 3 309.479 2.247 20 0 DEADHO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000183216784 402747798 /nfs/dbraw/zinc/74/77/98/402747798.db2.gz NMMIBMXKUBHCLQ-AWEZNQCLSA-N 1 3 321.465 2.050 20 0 DEADHO CN(CCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)Cc1ccccc1 ZINC000263238564 402748855 /nfs/dbraw/zinc/74/88/55/402748855.db2.gz FLUKPNRHGJANJT-KURKYZTESA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H]1CN(CCCC[NH2+]Cc2cnccc2N(C)C)C[C@H](C)O1 ZINC000183304182 402754554 /nfs/dbraw/zinc/75/45/54/402754554.db2.gz NUTPTUNMLUUNTG-HOTGVXAUSA-N 1 3 320.481 2.127 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCCCN2CC)C1 ZINC000174840911 402759523 /nfs/dbraw/zinc/75/95/23/402759523.db2.gz QSNIXWZVQNSWMG-SJORKVTESA-N 1 3 324.513 2.234 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCCCN2CC)C1 ZINC000174840911 402759525 /nfs/dbraw/zinc/75/95/25/402759525.db2.gz QSNIXWZVQNSWMG-SJORKVTESA-N 1 3 324.513 2.234 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)CC[C@@H](C)[NH3+])c1cccc(OC)c1 ZINC000193293320 402769713 /nfs/dbraw/zinc/76/97/13/402769713.db2.gz JQAGFNWXIOFFGY-PBHICJAKSA-N 1 3 321.465 2.322 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000195518428 402850258 /nfs/dbraw/zinc/85/02/58/402850258.db2.gz HOWUWWZTQQKMKK-UHFFFAOYSA-N 1 3 317.477 2.355 20 0 DEADHO COC[C@@H](Cc1ccccc1)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278712904 402870193 /nfs/dbraw/zinc/87/01/93/402870193.db2.gz VRDWETPWPPCLHS-PKOBYXMFSA-N 1 3 320.477 2.335 20 0 DEADHO COC[C@@H](Cc1ccccc1)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000278712904 402870195 /nfs/dbraw/zinc/87/01/95/402870195.db2.gz VRDWETPWPPCLHS-PKOBYXMFSA-N 1 3 320.477 2.335 20 0 DEADHO COc1ccc2c(c1)OC[C@H](N[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)C2 ZINC000271576648 402881593 /nfs/dbraw/zinc/88/15/93/402881593.db2.gz WLMHDFIJTVMGMR-YOKBYHGQSA-N 1 3 304.434 2.317 20 0 DEADHO COc1ccc2c(c1)OC[C@H](N[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)C2 ZINC000271576648 402881595 /nfs/dbraw/zinc/88/15/95/402881595.db2.gz WLMHDFIJTVMGMR-YOKBYHGQSA-N 1 3 304.434 2.317 20 0 DEADHO CC[NH+](CC)Cc1ccccc1CNC(=O)/C=C/CN(C)C ZINC000265693614 402940877 /nfs/dbraw/zinc/94/08/77/402940877.db2.gz ZMEWHQWVDGFYBL-FMIVXFBMSA-N 1 3 303.450 2.262 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272250649 402915154 /nfs/dbraw/zinc/91/51/54/402915154.db2.gz IGUWIWPDNQTJNE-FUHWJXTLSA-N 1 3 317.477 2.353 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272250649 402915155 /nfs/dbraw/zinc/91/51/55/402915155.db2.gz IGUWIWPDNQTJNE-FUHWJXTLSA-N 1 3 317.477 2.353 20 0 DEADHO CCO[C@@H]1C[C@@H](NC[C@@H](O)C[NH+]2CCCC2)C12CCCCC2 ZINC000305775449 286283214 /nfs/dbraw/zinc/28/32/14/286283214.db2.gz JXLQLBZGIREKQS-BRWVUGGUSA-N 1 3 310.482 2.161 20 0 DEADHO COc1ccc(OC)c(CNCC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000268414913 403081309 /nfs/dbraw/zinc/08/13/09/403081309.db2.gz JBJBCGTVWWAQEF-UHFFFAOYSA-N 1 3 322.449 2.029 20 0 DEADHO C[C@@H](CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)N(C)C ZINC000274953321 403098715 /nfs/dbraw/zinc/09/87/15/403098715.db2.gz QETDAJWIVZYSQP-INIZCTEOSA-N 1 3 317.477 2.355 20 0 DEADHO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)CCC2 ZINC000268825383 403118076 /nfs/dbraw/zinc/11/80/76/403118076.db2.gz ISGYPNUJJROENH-QAPCUYQASA-N 1 3 304.434 2.119 20 0 DEADHO CNC(=O)C[C@@H](C)[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000268824837 403118169 /nfs/dbraw/zinc/11/81/69/403118169.db2.gz QIVCDVJCXLECBF-CYBMUJFWSA-N 1 3 309.479 2.074 20 0 DEADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc2c(c1)OCO2 ZINC000282367613 403146848 /nfs/dbraw/zinc/14/68/48/403146848.db2.gz QDAQDLBAIMSODQ-AWEZNQCLSA-N 1 3 319.449 2.092 20 0 DEADHO c1cc(CN2CCC(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)ccn1 ZINC000339077130 403345799 /nfs/dbraw/zinc/34/57/99/403345799.db2.gz ZEBYLNLHTJVGLF-RBUKOAKNSA-N 1 3 314.477 2.262 20 0 DEADHO c1cc(CN2CCC(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)ccn1 ZINC000339077130 403345802 /nfs/dbraw/zinc/34/58/02/403345802.db2.gz ZEBYLNLHTJVGLF-RBUKOAKNSA-N 1 3 314.477 2.262 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)C12CCC[NH+]1CCC2 ZINC000342784589 403348786 /nfs/dbraw/zinc/34/87/86/403348786.db2.gz QSNFBSMEFZUXHU-UHFFFAOYSA-N 1 3 307.482 2.339 20 0 DEADHO C[N@@H+]1CCC[C@]2(CCN(C[C@H](O)CCc3ccccc3)C2)C1 ZINC000293117431 403392434 /nfs/dbraw/zinc/39/24/34/403392434.db2.gz YYFCRQSRCNIBKM-MOPGFXCFSA-N 1 3 302.462 2.398 20 0 DEADHO C[N@H+]1CCC[C@]2(CCN(C[C@H](O)CCc3ccccc3)C2)C1 ZINC000293117431 403392435 /nfs/dbraw/zinc/39/24/35/403392435.db2.gz YYFCRQSRCNIBKM-MOPGFXCFSA-N 1 3 302.462 2.398 20 0 DEADHO Cn1cc2c(n1)CCC[C@H]2[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000331542959 403412165 /nfs/dbraw/zinc/41/21/65/403412165.db2.gz IFYQBSHNCAIQFB-UKRRQHHQSA-N 1 3 319.453 2.024 20 0 DEADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(C)ccn2)CC1 ZINC000286272357 403486925 /nfs/dbraw/zinc/48/69/25/403486925.db2.gz VJMVEYCXMFEASZ-IAGOWNOFSA-N 1 3 304.482 2.314 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]Cc2c(C)nn(C)c2C)[C@@H](C)C1 ZINC000346568467 403594726 /nfs/dbraw/zinc/59/47/26/403594726.db2.gz OSWSBIRPLGSXMH-KSSFIOAISA-N 1 3 322.497 2.264 20 0 DEADHO CC(C)CN1CCC[C@@H](C[NH2+][C@@H](C)C(C)(C)n2cncn2)C1 ZINC000340534101 403638888 /nfs/dbraw/zinc/63/88/88/403638888.db2.gz JPDWEBAJLHIYHK-HOTGVXAUSA-N 1 3 307.486 2.359 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](CN[C@@H](C)C(C)(C)n2cncn2)C1 ZINC000340534101 403638892 /nfs/dbraw/zinc/63/88/92/403638892.db2.gz JPDWEBAJLHIYHK-HOTGVXAUSA-N 1 3 307.486 2.359 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](CN[C@@H](C)C(C)(C)n2cncn2)C1 ZINC000340534101 403638897 /nfs/dbraw/zinc/63/88/97/403638897.db2.gz JPDWEBAJLHIYHK-HOTGVXAUSA-N 1 3 307.486 2.359 20 0 DEADHO CC(C)c1nnc2n1C[C@H](N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)CC2 ZINC000333257562 403708142 /nfs/dbraw/zinc/70/81/42/403708142.db2.gz IGZWBYZQRRLRSA-KLHDSHLOSA-N 1 3 317.481 2.227 20 0 DEADHO COc1ccc([C@H](NC[C@H]2CCCN2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422907648 286375889 /nfs/dbraw/zinc/37/58/89/286375889.db2.gz XIRYQJLJXLGOKS-NJAFHUGGSA-N 1 3 303.450 2.172 20 0 DEADHO C[C@H]1[C@@H](NC(=O)NCC2([NH+](C)C)CCCCC2)CCCN1C ZINC000343652696 403678626 /nfs/dbraw/zinc/67/86/26/403678626.db2.gz LKPKHPDVDUDQOE-GJZGRUSLSA-N 1 3 310.486 2.033 20 0 DEADHO Cc1nn(C(C)C)cc1CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000333164875 403682875 /nfs/dbraw/zinc/68/28/75/403682875.db2.gz OQSLHPKUJIMGDY-ZWKOTPCHSA-N 1 3 320.481 2.491 20 0 DEADHO O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(F)F ZINC000347389629 403690573 /nfs/dbraw/zinc/69/05/73/403690573.db2.gz ISZJYPQYEDTOMW-WTXIUTQJSA-N 1 3 310.388 2.398 20 0 DEADHO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccc2c(c1)CNC2 ZINC000347516183 403738234 /nfs/dbraw/zinc/73/82/34/403738234.db2.gz LFWKCMZVTCYIOB-GOSISDBHSA-N 1 3 313.445 2.284 20 0 DEADHO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc2c(c1)CNC2 ZINC000347516183 403738237 /nfs/dbraw/zinc/73/82/37/403738237.db2.gz LFWKCMZVTCYIOB-GOSISDBHSA-N 1 3 313.445 2.284 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)NCC[NH2+]C2CCCCCC2)CCN1C ZINC000333404259 403745337 /nfs/dbraw/zinc/74/53/37/403745337.db2.gz QJPQWMQKJSBXJK-HOCLYGCPSA-N 1 3 310.486 2.081 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000303518373 403755465 /nfs/dbraw/zinc/75/54/65/403755465.db2.gz YMYBCYXCCIEHBL-IAGOWNOFSA-N 1 3 324.513 2.280 20 0 DEADHO NCc1cn([C@H]2CCC[N@@H+]([C@H]3CCc4ccc(F)cc43)C2)nn1 ZINC000333681734 403814516 /nfs/dbraw/zinc/81/45/16/403814516.db2.gz OXLOBIVKWYINLA-RDJZCZTQSA-N 1 3 315.396 2.200 20 0 DEADHO NCc1cn([C@H]2CCC[N@H+]([C@H]3CCc4ccc(F)cc43)C2)nn1 ZINC000333681734 403814519 /nfs/dbraw/zinc/81/45/19/403814519.db2.gz OXLOBIVKWYINLA-RDJZCZTQSA-N 1 3 315.396 2.200 20 0 DEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000361713911 403818591 /nfs/dbraw/zinc/81/85/91/403818591.db2.gz KNTQVBYYHIUROK-NVXWUHKLSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)[C@@H](N)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000347627266 403781507 /nfs/dbraw/zinc/78/15/07/403781507.db2.gz UBTFOMYRQIVXHM-QGZVFWFLSA-N 1 3 303.450 2.272 20 0 DEADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc2c(c1)CNC2 ZINC000347674639 403801469 /nfs/dbraw/zinc/80/14/69/403801469.db2.gz NIWCQXAPDFJIGQ-QGZVFWFLSA-N 1 3 301.434 2.236 20 0 DEADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccc2c(c1)CNC2 ZINC000347674639 403801476 /nfs/dbraw/zinc/80/14/76/403801476.db2.gz NIWCQXAPDFJIGQ-QGZVFWFLSA-N 1 3 301.434 2.236 20 0 DEADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CCN1C ZINC000341165741 403803454 /nfs/dbraw/zinc/80/34/54/403803454.db2.gz NWWYDTDWHQDUAH-VYDXJSESSA-N 1 3 322.497 2.127 20 0 DEADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CCN1C ZINC000341165741 403803460 /nfs/dbraw/zinc/80/34/60/403803460.db2.gz NWWYDTDWHQDUAH-VYDXJSESSA-N 1 3 322.497 2.127 20 0 DEADHO C[C@@H](CNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000341304562 403897286 /nfs/dbraw/zinc/89/72/86/403897286.db2.gz VEDOYJXTYBMOJU-AIANPOQGSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@@H](CNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[N@H+]1CCCC[C@H]1C ZINC000341304562 403897294 /nfs/dbraw/zinc/89/72/94/403897294.db2.gz VEDOYJXTYBMOJU-AIANPOQGSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000341239553 403856038 /nfs/dbraw/zinc/85/60/38/403856038.db2.gz MGDRFARZAJZXRV-GOEBONIOSA-N 1 3 322.497 2.033 20 0 DEADHO COC[C@@H](C)NC(=[NH2+])NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000361805005 403876239 /nfs/dbraw/zinc/87/62/39/403876239.db2.gz WETAFIPLNIEJAK-NVXWUHKLSA-N 1 3 318.465 2.047 20 0 DEADHO C[C@@H](C(=O)N1CC[C@H](N2CCCCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000341422119 403963197 /nfs/dbraw/zinc/96/31/97/403963197.db2.gz RQJTWTUAYNUFNG-YVSFHVDLSA-N 1 3 307.482 2.335 20 0 DEADHO C[C@@H](C(=O)N1CC[C@H](N2CCCCC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000341422119 403963205 /nfs/dbraw/zinc/96/32/05/403963205.db2.gz RQJTWTUAYNUFNG-YVSFHVDLSA-N 1 3 307.482 2.335 20 0 DEADHO CCO[C@H]1C[C@H]([NH2+]CC2(O)CCN(C)CC2)C12CCCCC2 ZINC000344095121 403906049 /nfs/dbraw/zinc/90/60/49/403906049.db2.gz HGZSJWNNSHKBRW-HOTGVXAUSA-N 1 3 310.482 2.161 20 0 DEADHO C[C@@H](NCc1ccncc1OCCC[NH+](C)C)[C@@H]1CCCO1 ZINC000344129209 403929388 /nfs/dbraw/zinc/92/93/88/403929388.db2.gz XGVOQHQYPDSOHI-ZBFHGGJFSA-N 1 3 307.438 2.069 20 0 DEADHO CN(C)CCN(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C1CCCC1 ZINC000344144037 403937243 /nfs/dbraw/zinc/93/72/43/403937243.db2.gz VTMIHFSDHRXFGH-IAGOWNOFSA-N 1 3 322.497 2.129 20 0 DEADHO CN(C)CCN(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)C1CCCC1 ZINC000344144037 403937254 /nfs/dbraw/zinc/93/72/54/403937254.db2.gz VTMIHFSDHRXFGH-IAGOWNOFSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000351826283 403945609 /nfs/dbraw/zinc/94/56/09/403945609.db2.gz BGWMACUQUCHGJU-YJBOKZPZSA-N 1 3 315.461 2.094 20 0 DEADHO N[C@@H](CC(F)F)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000362586048 403967202 /nfs/dbraw/zinc/96/72/02/403967202.db2.gz GKIYEWYTHQXCCA-VIFPVBQESA-N 1 3 311.254 2.085 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000337369623 403982559 /nfs/dbraw/zinc/98/25/59/403982559.db2.gz OMERTQTXKVPNEZ-IXDOHACOSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000337369623 403982564 /nfs/dbraw/zinc/98/25/64/403982564.db2.gz OMERTQTXKVPNEZ-IXDOHACOSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCCC1CC[NH+](C)CC1 ZINC000351897201 403991982 /nfs/dbraw/zinc/99/19/82/403991982.db2.gz IAABHCBJQNVHHB-HNNXBMFYSA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@H+](CCNC(=O)N(C)[C@H](C)C1CCN(C)CC1)C(C)C ZINC000351903525 403995606 /nfs/dbraw/zinc/99/56/06/403995606.db2.gz XXJIETQUKOROSX-OAHLLOKOSA-N 1 3 312.502 2.088 20 0 DEADHO CC[N@@H+](CCNC(=O)N(C)[C@H](C)C1CCN(C)CC1)C(C)C ZINC000351903525 403995611 /nfs/dbraw/zinc/99/56/11/403995611.db2.gz XXJIETQUKOROSX-OAHLLOKOSA-N 1 3 312.502 2.088 20 0 DEADHO O[C@@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)COc1ccc(Cl)cc1 ZINC000314576155 403998513 /nfs/dbraw/zinc/99/85/13/403998513.db2.gz OTVWSNMQRALFLD-CJNGLKHVSA-N 1 3 324.852 2.154 20 0 DEADHO O[C@@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)COc1ccc(Cl)cc1 ZINC000314576155 403998522 /nfs/dbraw/zinc/99/85/22/403998522.db2.gz OTVWSNMQRALFLD-CJNGLKHVSA-N 1 3 324.852 2.154 20 0 DEADHO O[C@@H](CNC[C@H]1CC[N@H+](C2CC2)C1)COc1ccc(Cl)cc1 ZINC000314576155 403998526 /nfs/dbraw/zinc/99/85/26/403998526.db2.gz OTVWSNMQRALFLD-CJNGLKHVSA-N 1 3 324.852 2.154 20 0 DEADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000362969280 404028755 /nfs/dbraw/zinc/02/87/55/404028755.db2.gz KFXLCOIVRWIBDX-DOTOQJQBSA-N 1 3 317.477 2.211 20 0 DEADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000362969280 404028758 /nfs/dbraw/zinc/02/87/58/404028758.db2.gz KFXLCOIVRWIBDX-DOTOQJQBSA-N 1 3 317.477 2.211 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000290207190 404081539 /nfs/dbraw/zinc/08/15/39/404081539.db2.gz RWILVAOKHVXGHN-OIISXLGYSA-N 1 3 303.450 2.011 20 0 DEADHO CC(C)N(C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000323992167 404098720 /nfs/dbraw/zinc/09/87/20/404098720.db2.gz KRCFEDUKKUARNQ-CALCHBBNSA-N 1 3 315.461 2.359 20 0 DEADHO COc1cc([C@H](C)[NH2+]CC[C@@H]2CCCN2C)ccc1OCCO ZINC000341586203 404051566 /nfs/dbraw/zinc/05/15/66/404051566.db2.gz MZYYSKQSFSQINJ-HOCLYGCPSA-N 1 3 322.449 2.201 20 0 DEADHO Cc1ccc(C)c(NC(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000320839842 404071683 /nfs/dbraw/zinc/07/16/83/404071683.db2.gz GRVMEGCZLIEQNQ-IYBDPMFKSA-N 1 3 301.434 2.173 20 0 DEADHO CC(C)N1CCC([NH2+]Cc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000352063991 404119894 /nfs/dbraw/zinc/11/98/94/404119894.db2.gz SBWFCSOOMRVUGE-UHFFFAOYSA-N 1 3 303.406 2.094 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000296316368 404193726 /nfs/dbraw/zinc/19/37/26/404193726.db2.gz GXDAHBBAPLIVLN-MRXNPFEDSA-N 1 3 317.477 2.464 20 0 DEADHO C[C@@H](CC(N)=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000341960523 404279790 /nfs/dbraw/zinc/27/97/90/404279790.db2.gz HOFMHBKVLXCLRZ-HNNXBMFYSA-N 1 3 303.450 2.272 20 0 DEADHO C[C@H]([NH2+]C1CC1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000296508746 404282571 /nfs/dbraw/zinc/28/25/71/404282571.db2.gz RKRBJUXDFMGFJA-WMLDXEAASA-N 1 3 301.434 2.080 20 0 DEADHO CCC[NH+]1CCC(N(C)C(=O)[C@@H](C2CC2)N2CCCC2)CC1 ZINC000352439088 404370585 /nfs/dbraw/zinc/37/05/85/404370585.db2.gz JIRHFIKLZTWQSU-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO CCN(CCNC(=O)NCC1([NH+](C)C)CCCCC1)C1CC1 ZINC000338476213 404370890 /nfs/dbraw/zinc/37/08/90/404370890.db2.gz DUSDFWZMAQKBBX-UHFFFAOYSA-N 1 3 310.486 2.034 20 0 DEADHO O=S1(=O)CCCC[C@H]1CN[C@H]1CCCc2c(O)cccc21 ZINC000329749062 404439014 /nfs/dbraw/zinc/43/90/14/404439014.db2.gz TZZQYLGDWHUHNU-WFASDCNBSA-N 1 3 309.431 2.327 20 0 DEADHO O=S1(=O)CCCC[C@H]1C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000329749062 404439018 /nfs/dbraw/zinc/43/90/18/404439018.db2.gz TZZQYLGDWHUHNU-WFASDCNBSA-N 1 3 309.431 2.327 20 0 DEADHO CN1CCC2(CCCN2C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000371413220 404461216 /nfs/dbraw/zinc/46/12/16/404461216.db2.gz OQQHVLSWDMPPOU-UHFFFAOYSA-N 1 3 322.497 2.131 20 0 DEADHO CN1CCC2(CCCN2C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000371413220 404461219 /nfs/dbraw/zinc/46/12/19/404461219.db2.gz OQQHVLSWDMPPOU-UHFFFAOYSA-N 1 3 322.497 2.131 20 0 DEADHO Cc1nccn1CC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000342447705 404584848 /nfs/dbraw/zinc/58/48/48/404584848.db2.gz MWKOVXUJPUQAEI-HOTGVXAUSA-N 1 3 320.481 2.013 20 0 DEADHO CSc1ccccc1NC(=O)CCN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351493176 404604669 /nfs/dbraw/zinc/60/46/69/404604669.db2.gz MEZHZWDRQPGCJG-MJBXVCDLSA-N 1 3 319.474 2.406 20 0 DEADHO c1ccc2c(c1)OC[C@H](CCN[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)O2 ZINC000414384325 404606096 /nfs/dbraw/zinc/60/60/96/404606096.db2.gz VLTACPWWSQOERB-OAGGEKHMSA-N 1 3 302.418 2.433 20 0 DEADHO c1ccc2c(c1)OC[C@H](CCN[C@@H]1CC[N@H+]3CCC[C@@H]3C1)O2 ZINC000414384325 404606102 /nfs/dbraw/zinc/60/61/02/404606102.db2.gz VLTACPWWSQOERB-OAGGEKHMSA-N 1 3 302.418 2.433 20 0 DEADHO CC(C)(C)OC1CC(NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000352789887 404622613 /nfs/dbraw/zinc/62/26/13/404622613.db2.gz PVRLPCWTFSNCSQ-ODIFPOPNSA-N 1 3 310.482 2.423 20 0 DEADHO CN(CCNC(=O)NCCCCC[NH+]1CCCCC1)C1CC1 ZINC000352799343 404631277 /nfs/dbraw/zinc/63/12/77/404631277.db2.gz QZXWAXMLZMLNEI-UHFFFAOYSA-N 1 3 310.486 2.036 20 0 DEADHO CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2)[NH+]1CCCCC1 ZINC000567546848 292320854 /nfs/dbraw/zinc/32/08/54/292320854.db2.gz CRAMBWSAEDFQPG-GVDBMIGSSA-N 1 3 307.482 2.192 20 0 DEADHO C[C@@H]1C[C@@H](CN2CCN(CCc3cccs3)CC2)CC[NH2+]1 ZINC000414669508 404704071 /nfs/dbraw/zinc/70/40/71/404704071.db2.gz BNCFPHUSKTVJIC-CVEARBPZSA-N 1 3 307.507 2.296 20 0 DEADHO NC[C@@H]1C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)CC12CCOCC2 ZINC000414772643 404730112 /nfs/dbraw/zinc/73/01/12/404730112.db2.gz CHYWFKLJTBBIQL-KSZLIROESA-N 1 3 300.446 2.477 20 0 DEADHO NC[C@@H]1C[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)CC12CCOCC2 ZINC000414772643 404730116 /nfs/dbraw/zinc/73/01/16/404730116.db2.gz CHYWFKLJTBBIQL-KSZLIROESA-N 1 3 300.446 2.477 20 0 DEADHO COc1ccc(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1C ZINC000414788702 404736489 /nfs/dbraw/zinc/73/64/89/404736489.db2.gz NGYUTGNGTOWCID-MRXNPFEDSA-N 1 3 304.434 2.191 20 0 DEADHO C[C@@H](CN)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000414942296 404771326 /nfs/dbraw/zinc/77/13/26/404771326.db2.gz JYDTZOHICVNJLZ-ZETCQYMHSA-N 1 3 309.154 2.487 20 0 DEADHO CCC([NH3+])(CC)CN[C@H](C)CCN1C(=O)c2ccccc2C1=O ZINC000414806144 404739312 /nfs/dbraw/zinc/73/93/12/404739312.db2.gz HGWHAXYEQSUGJC-CYBMUJFWSA-N 1 3 317.433 2.168 20 0 DEADHO C[C@H](Cn1cc(Br)cn1)[NH2+]CC1(N)CCCCC1 ZINC000414837381 404745648 /nfs/dbraw/zinc/74/56/48/404745648.db2.gz HCNOHKYSZYJFEK-LLVKDONJSA-N 1 3 315.259 2.285 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)N[C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000414850100 404748335 /nfs/dbraw/zinc/74/83/35/404748335.db2.gz HPGLWYAWBQRONU-ZNMIVQPWSA-N 1 3 319.449 2.390 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000414853495 404749064 /nfs/dbraw/zinc/74/90/64/404749064.db2.gz KVBQVRARYNJGOG-RRFJBIMHSA-N 1 3 319.449 2.390 20 0 DEADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@]2(C)CCC[NH2+]C2)cc1 ZINC000414901428 404762184 /nfs/dbraw/zinc/76/21/84/404762184.db2.gz FYLLUPAGPLXJCN-RDTXWAMCSA-N 1 3 319.449 2.392 20 0 DEADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@]2(C)CCCNC2)cc1 ZINC000414901428 404762188 /nfs/dbraw/zinc/76/21/88/404762188.db2.gz FYLLUPAGPLXJCN-RDTXWAMCSA-N 1 3 319.449 2.392 20 0 DEADHO CC(C)(C)C(=O)N1CCC(NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000414924482 404767208 /nfs/dbraw/zinc/76/72/08/404767208.db2.gz HFNIVHVWFXNXQZ-OAHLLOKOSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414697189 404710698 /nfs/dbraw/zinc/71/06/98/404710698.db2.gz BROJMOSVKNOBLS-JFIYKMOQSA-N 1 3 315.461 2.062 20 0 DEADHO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414697189 404710699 /nfs/dbraw/zinc/71/06/99/404710699.db2.gz BROJMOSVKNOBLS-JFIYKMOQSA-N 1 3 315.461 2.062 20 0 DEADHO CCN(CC(=O)Nc1cccc(OC)c1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414709134 404713705 /nfs/dbraw/zinc/71/37/05/404713705.db2.gz RAZWCKINBUQHRW-GJZGRUSLSA-N 1 3 319.449 2.344 20 0 DEADHO CC(C)([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1cccc(Cl)c1 ZINC000414715475 404715533 /nfs/dbraw/zinc/71/55/33/404715533.db2.gz WYYKXRMZPQQMGF-ZDUSSCGKSA-N 1 3 323.868 2.362 20 0 DEADHO O[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)C(F)F ZINC000356882763 404715844 /nfs/dbraw/zinc/71/58/44/404715844.db2.gz VHKKRNMMAFGLSW-ZJIFWQFVSA-N 1 3 310.388 2.113 20 0 DEADHO CC[C@@H]1CCCCN1C(=O)CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357066697 404726197 /nfs/dbraw/zinc/72/61/97/404726197.db2.gz CBDSAZFGMYCLFB-DLBZAZTESA-N 1 3 307.482 2.099 20 0 DEADHO Cc1cc(F)ccc1CNC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414990773 404782169 /nfs/dbraw/zinc/78/21/69/404782169.db2.gz RTPFICPFVOIILH-AWEZNQCLSA-N 1 3 319.346 2.060 20 0 DEADHO Cc1ccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1C ZINC000414994546 404783206 /nfs/dbraw/zinc/78/32/06/404783206.db2.gz VMCWNWOTKKSUGU-HNNXBMFYSA-N 1 3 315.383 2.229 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000376079753 404799353 /nfs/dbraw/zinc/79/93/53/404799353.db2.gz GQFLYWFTFQZEKS-PMPSAXMXSA-N 1 3 322.497 2.033 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000376079753 404799355 /nfs/dbraw/zinc/79/93/55/404799355.db2.gz GQFLYWFTFQZEKS-PMPSAXMXSA-N 1 3 322.497 2.033 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000376079752 404799611 /nfs/dbraw/zinc/79/96/11/404799611.db2.gz GQFLYWFTFQZEKS-OAGGEKHMSA-N 1 3 322.497 2.033 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000376079752 404799613 /nfs/dbraw/zinc/79/96/13/404799613.db2.gz GQFLYWFTFQZEKS-OAGGEKHMSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](Cn1cc(Br)cn1)N[C@H](C[NH3+])C1CCCC1 ZINC000415073849 404801233 /nfs/dbraw/zinc/80/12/33/404801233.db2.gz ZXWROVRHHDZDGG-GXFFZTMASA-N 1 3 315.259 2.141 20 0 DEADHO CC(C)[NH+]1CCC(N[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000376145695 404809071 /nfs/dbraw/zinc/80/90/71/404809071.db2.gz URBOPQGFYMSKDU-QGZVFWFLSA-N 1 3 322.497 2.129 20 0 DEADHO COc1cccc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000415129989 404814056 /nfs/dbraw/zinc/81/40/56/404814056.db2.gz WBCGPNKXZISHRT-AEFFLSMTSA-N 1 3 304.434 2.414 20 0 DEADHO COc1ccc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000415137688 404816709 /nfs/dbraw/zinc/81/67/09/404816709.db2.gz YFUTYIVMXBYGAX-QZTJIDSGSA-N 1 3 304.434 2.414 20 0 DEADHO C[C@@H]1CN(C[C@H]2CCC(C)(C)O2)CCN1C1CC[NH+](C)CC1 ZINC000360135026 404819720 /nfs/dbraw/zinc/81/97/20/404819720.db2.gz YRXXBVWYMIFWCY-NVXWUHKLSA-N 1 3 309.498 2.044 20 0 DEADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H](CO)C2CCOCC2)CC1 ZINC000360807785 404838747 /nfs/dbraw/zinc/83/87/47/404838747.db2.gz XMJCFONCPCWYMO-ATZDWAIDSA-N 1 3 324.509 2.407 20 0 DEADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@H](CO)C2CCOCC2)CC1 ZINC000360807785 404838751 /nfs/dbraw/zinc/83/87/51/404838751.db2.gz XMJCFONCPCWYMO-ATZDWAIDSA-N 1 3 324.509 2.407 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)N[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414951034 404774565 /nfs/dbraw/zinc/77/45/65/404774565.db2.gz PMPKJTQKKIVMTA-IPYPFGDCSA-N 1 3 305.422 2.142 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCN[C@H](C)C2)cc1 ZINC000414951034 404774568 /nfs/dbraw/zinc/77/45/68/404774568.db2.gz PMPKJTQKKIVMTA-IPYPFGDCSA-N 1 3 305.422 2.142 20 0 DEADHO CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000353638795 404896454 /nfs/dbraw/zinc/89/64/54/404896454.db2.gz ORGQJJQNJLWPSN-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H](N)CC(C)C ZINC000353642925 404898832 /nfs/dbraw/zinc/89/88/32/404898832.db2.gz PAXXLRGQMQPBPX-KRWDZBQOSA-N 1 3 305.466 2.470 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000360888742 404845383 /nfs/dbraw/zinc/84/53/83/404845383.db2.gz ONPABSDVEQDYBG-YESZJQIVSA-N 1 3 324.513 2.233 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000360888742 404845385 /nfs/dbraw/zinc/84/53/85/404845385.db2.gz ONPABSDVEQDYBG-YESZJQIVSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)C(N)C(F)(F)F)c1 ZINC000353506856 404851414 /nfs/dbraw/zinc/85/14/14/404851414.db2.gz FACBKDLUAHRONF-ZDUSSCGKSA-N 1 3 317.355 2.033 20 0 DEADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C(N)C(F)(F)F)c1 ZINC000353506856 404851416 /nfs/dbraw/zinc/85/14/16/404851416.db2.gz FACBKDLUAHRONF-ZDUSSCGKSA-N 1 3 317.355 2.033 20 0 DEADHO C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)N(C)Cc1ccccc1 ZINC000377913420 404851758 /nfs/dbraw/zinc/85/17/58/404851758.db2.gz ZOBOPZUHZYNKIU-INIZCTEOSA-N 1 3 315.461 2.252 20 0 DEADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2nccs2)[C@@H](C)C1 ZINC000360933854 404855999 /nfs/dbraw/zinc/85/59/99/404855999.db2.gz WPUWMZVIRBGRBX-LSDHHAIUSA-N 1 3 311.495 2.412 20 0 DEADHO CCOCCC[N@H+]1CC[C@@H](NCCc2nccs2)[C@@H](C)C1 ZINC000360933854 404856002 /nfs/dbraw/zinc/85/60/02/404856002.db2.gz WPUWMZVIRBGRBX-LSDHHAIUSA-N 1 3 311.495 2.412 20 0 DEADHO C[C@@H](C(=O)Nc1cnc2c(c1)CNCC2)[C@@H]([NH3+])c1ccccc1 ZINC000378404258 404955773 /nfs/dbraw/zinc/95/57/73/404955773.db2.gz OVEQJTAIZUKXJX-SJKOYZFVSA-N 1 3 310.401 2.002 20 0 DEADHO C[C@H](CC(=O)Nc1ccc2c(c1)CNCCO2)C1CC[NH2+]CC1 ZINC000361081056 404907985 /nfs/dbraw/zinc/90/79/85/404907985.db2.gz PMORJMJYLOLFFX-CYBMUJFWSA-N 1 3 317.433 2.133 20 0 DEADHO C[C@@H]([NH3+])C1CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000416815667 404921527 /nfs/dbraw/zinc/92/15/27/404921527.db2.gz WRQMPIICHHADRH-PBHICJAKSA-N 1 3 318.465 2.058 20 0 DEADHO CC(C)(CNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+])N1CCCCC1 ZINC000416838789 404929670 /nfs/dbraw/zinc/92/96/70/404929670.db2.gz ZHDDTSOGSAWHCF-LSDHHAIUSA-N 1 3 310.486 2.068 20 0 DEADHO CC[NH2+][C@H](C)CNC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000416845341 404933236 /nfs/dbraw/zinc/93/32/36/404933236.db2.gz RNJSVQSASVKCCB-PBHICJAKSA-N 1 3 320.481 2.149 20 0 DEADHO CN(C(=O)c1cccc(CN2CCCC2)c1)[C@@H](C[NH3+])C1CC1 ZINC000423964007 404949626 /nfs/dbraw/zinc/94/96/26/404949626.db2.gz WJRDKRGMSUCVCP-KRWDZBQOSA-N 1 3 301.434 2.092 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000417015763 405001515 /nfs/dbraw/zinc/00/15/15/405001515.db2.gz FWTXTJLZROJHTQ-NVXWUHKLSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)NCCN1CCC(C)CC1 ZINC000361284667 405007822 /nfs/dbraw/zinc/00/78/22/405007822.db2.gz BSTRXOUHGLWHAB-QGZVFWFLSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@@H]3C[C@@H]3N)cc2)C1 ZINC000424133439 405017048 /nfs/dbraw/zinc/01/70/48/405017048.db2.gz MJELZAVWCJFPPL-NONVJHHQSA-N 1 3 315.461 2.128 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@@H]3C[C@@H]3N)cc2)C1 ZINC000424133439 405017055 /nfs/dbraw/zinc/01/70/55/405017055.db2.gz MJELZAVWCJFPPL-NONVJHHQSA-N 1 3 315.461 2.128 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000379660716 405027721 /nfs/dbraw/zinc/02/77/21/405027721.db2.gz CTWLGSUDULWYBJ-NJAFHUGGSA-N 1 3 317.477 2.387 20 0 DEADHO [NH3+][C@@H]1C[C@@H]1C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000424180280 405030689 /nfs/dbraw/zinc/03/06/89/405030689.db2.gz NUNODIZUBDBSPE-JKSUJKDBSA-N 1 3 321.852 2.112 20 0 DEADHO COC(=O)COc1c(C)cc(CN2C[C@H](C[NH3+])C[C@@H]2C)cc1C ZINC000435372562 404974311 /nfs/dbraw/zinc/97/43/11/404974311.db2.gz RXMMWRCCPDGRFA-HOCLYGCPSA-N 1 3 320.433 2.024 20 0 DEADHO CCC[C@@H](C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)N(C)C ZINC000424029695 404976364 /nfs/dbraw/zinc/97/63/64/404976364.db2.gz DICVQZIPIWIJAI-IKGGRYGDSA-N 1 3 321.440 2.199 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)CC1 ZINC000451419364 404988191 /nfs/dbraw/zinc/98/81/91/404988191.db2.gz KZYCQMPNUPJDIF-OTWHNJEPSA-N 1 3 323.525 2.028 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)CC1 ZINC000451419364 404988195 /nfs/dbraw/zinc/98/81/95/404988195.db2.gz KZYCQMPNUPJDIF-OTWHNJEPSA-N 1 3 323.525 2.028 20 0 DEADHO CCCN1CCC([NH2+][C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000361240308 404988389 /nfs/dbraw/zinc/98/83/89/404988389.db2.gz ICXSGHHWHGEFAI-GOSISDBHSA-N 1 3 315.461 2.252 20 0 DEADHO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc2c(c1)CNC2 ZINC000415996388 405000771 /nfs/dbraw/zinc/00/07/71/405000771.db2.gz MPYPDVKWNFOONH-IRXDYDNUSA-N 1 3 314.433 2.380 20 0 DEADHO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccc2c(c1)CNC2 ZINC000415996388 405000773 /nfs/dbraw/zinc/00/07/73/405000773.db2.gz MPYPDVKWNFOONH-IRXDYDNUSA-N 1 3 314.433 2.380 20 0 DEADHO CCN1CCCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416157279 405041309 /nfs/dbraw/zinc/04/13/09/405041309.db2.gz IHJCHEIZKVPPHP-KRWDZBQOSA-N 1 3 303.450 2.234 20 0 DEADHO CC1=CCN(CCNC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416199988 405054631 /nfs/dbraw/zinc/05/46/31/405054631.db2.gz AVROBJNCIKWQKM-GOSISDBHSA-N 1 3 315.461 2.448 20 0 DEADHO CN(Cc1ccc(Cl)s1)C(=O)C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424329494 405070383 /nfs/dbraw/zinc/07/03/83/405070383.db2.gz GPBDYEBAWCLCJS-VXGBXAGGSA-N 1 3 315.870 2.219 20 0 DEADHO CC(C)C1CCC(N2CCN(C(=O)NCCCC[NH3+])CC2)CC1 ZINC000418507825 405129930 /nfs/dbraw/zinc/12/99/30/405129930.db2.gz JRWPFKYHJUZQAK-UHFFFAOYSA-N 1 3 324.513 2.267 20 0 DEADHO C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH3+])[C@H](c1ccccc1)N(C)C ZINC000424481130 405104958 /nfs/dbraw/zinc/10/49/58/405104958.db2.gz QQVLNHPKRFFEBD-RKTXRCNFSA-N 1 3 318.465 2.247 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H](C)CCC[NH3+])N(C)C ZINC000418160136 405114131 /nfs/dbraw/zinc/11/41/31/405114131.db2.gz AZCFFLYKVCJYNA-VYDXJSESSA-N 1 3 320.481 2.413 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000418657816 405155089 /nfs/dbraw/zinc/15/50/89/405155089.db2.gz UZJVGLVHFVTLNN-IRXDYDNUSA-N 1 3 320.481 2.264 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418715710 405178883 /nfs/dbraw/zinc/17/88/83/405178883.db2.gz ITKKMDACYOVATL-HOTGVXAUSA-N 1 3 324.513 2.267 20 0 DEADHO CC1CCN(CC(=O)N(CC[NH+](C)C)C2CCCCC2)CC1 ZINC000354345725 405168436 /nfs/dbraw/zinc/16/84/36/405168436.db2.gz DDMAZIAPDUQZHL-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000418695529 405170369 /nfs/dbraw/zinc/17/03/69/405170369.db2.gz YEAPZLXSNHFDKR-CQSZACIVSA-N 1 3 324.444 2.026 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCCN1CCCCC1 ZINC000439144101 405267868 /nfs/dbraw/zinc/26/78/68/405267868.db2.gz WGTSWHYTNBINIW-KRWDZBQOSA-N 1 3 324.513 2.282 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NCCN1CCCCC1 ZINC000439144101 405267870 /nfs/dbraw/zinc/26/78/70/405267870.db2.gz WGTSWHYTNBINIW-KRWDZBQOSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@@H](Cc1cnccn1)[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000453055885 405279685 /nfs/dbraw/zinc/27/96/85/405279685.db2.gz BKVABBJYONZDJD-HNNXBMFYSA-N 1 3 314.433 2.138 20 0 DEADHO CN1C[C@@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC000425057693 405239082 /nfs/dbraw/zinc/23/90/82/405239082.db2.gz BIBANQYRCCVXQY-CGTJXYLNSA-N 1 3 319.493 2.336 20 0 DEADHO CN1C[C@@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC000425057693 405239084 /nfs/dbraw/zinc/23/90/84/405239084.db2.gz BIBANQYRCCVXQY-CGTJXYLNSA-N 1 3 319.493 2.336 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000438576503 405251319 /nfs/dbraw/zinc/25/13/19/405251319.db2.gz IXVFRPUCQULFMB-DOTOQJQBSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000438576503 405251321 /nfs/dbraw/zinc/25/13/21/405251321.db2.gz IXVFRPUCQULFMB-DOTOQJQBSA-N 1 3 307.482 2.384 20 0 DEADHO CCOc1ccc(CN2CCN(CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000420307120 405313194 /nfs/dbraw/zinc/31/31/94/405313194.db2.gz RCSVLOXFFPCASG-QGZVFWFLSA-N 1 3 317.477 2.203 20 0 DEADHO CCCO[C@H]1CCC[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC000420308593 405313739 /nfs/dbraw/zinc/31/37/39/405313739.db2.gz SKEQNWYKQFMWLI-FHWLQOOXSA-N 1 3 320.477 2.198 20 0 DEADHO CCCO[C@H]1CCC[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC000420308593 405313741 /nfs/dbraw/zinc/31/37/41/405313741.db2.gz SKEQNWYKQFMWLI-FHWLQOOXSA-N 1 3 320.477 2.198 20 0 DEADHO CCCO[C@H]1CCCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000420308593 405313745 /nfs/dbraw/zinc/31/37/45/405313745.db2.gz SKEQNWYKQFMWLI-FHWLQOOXSA-N 1 3 320.477 2.198 20 0 DEADHO CCOc1ccccc1NC(=O)CCN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000420314409 405316403 /nfs/dbraw/zinc/31/64/03/405316403.db2.gz VTTDORGZZNCDIM-KGLIPLIRSA-N 1 3 305.422 2.083 20 0 DEADHO [NH3+]C[C@@H]1CN(Cc2ccc3ccccc3n2)CC12CCOCC2 ZINC000420320251 405318043 /nfs/dbraw/zinc/31/80/43/405318043.db2.gz BBVWWTKHIOWTTM-MRXNPFEDSA-N 1 3 311.429 2.422 20 0 DEADHO O=C(CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)NCCC1CCCCC1 ZINC000420325533 405320056 /nfs/dbraw/zinc/32/00/56/405320056.db2.gz ISKAJNGXQDJAFL-ZWKOTPCHSA-N 1 3 321.509 2.395 20 0 DEADHO [NH3+]C[C@H]1CN(CCOc2cccc(Cl)c2)CC12CCOCC2 ZINC000420335902 405323970 /nfs/dbraw/zinc/32/39/70/405323970.db2.gz VGLZQIPXAXPKGK-AWEZNQCLSA-N 1 3 324.852 2.406 20 0 DEADHO CN(Cc1cccs1)C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420345791 405327181 /nfs/dbraw/zinc/32/71/81/405327181.db2.gz WRAREYMQQDJVNC-GJZGRUSLSA-N 1 3 321.490 2.028 20 0 DEADHO Clc1cccc2c1CC[C@H]2N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420348923 405328588 /nfs/dbraw/zinc/32/85/88/405328588.db2.gz NKVGKDQQZOMXCZ-SUMWQHHRSA-N 1 3 305.853 2.307 20 0 DEADHO CN1CCN(CC2(C)CC[NH+](Cc3cccc(N)c3)CC2)CC1 ZINC000420364011 405333139 /nfs/dbraw/zinc/33/31/39/405333139.db2.gz CJNXVVGEISZPKJ-UHFFFAOYSA-N 1 3 316.493 2.118 20 0 DEADHO [NH3+]C[C@@H](NCCC(=O)N1CCc2ccccc21)C1CCCCC1 ZINC000420377728 405337762 /nfs/dbraw/zinc/33/77/62/405337762.db2.gz WKIKJSZEUAIRGR-QGZVFWFLSA-N 1 3 315.461 2.463 20 0 DEADHO COc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2[C@@H](C)N)cc1 ZINC000430616478 405467602 /nfs/dbraw/zinc/46/76/02/405467602.db2.gz FQLABNHMMCPLMX-CJNGLKHVSA-N 1 3 305.422 2.226 20 0 DEADHO COc1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2[C@@H](C)N)cc1 ZINC000430616478 405467604 /nfs/dbraw/zinc/46/76/04/405467604.db2.gz FQLABNHMMCPLMX-CJNGLKHVSA-N 1 3 305.422 2.226 20 0 DEADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1CCCOc1ccc2c(c1)OCO2 ZINC000430635382 405473345 /nfs/dbraw/zinc/47/33/45/405473345.db2.gz GTZQQNOLHAZZTF-ZFWWWQNUSA-N 1 3 306.406 2.386 20 0 DEADHO C[C@H](N)[C@@H]1CCCC[N@H+]1CCCOc1ccc2c(c1)OCO2 ZINC000430635382 405473349 /nfs/dbraw/zinc/47/33/49/405473349.db2.gz GTZQQNOLHAZZTF-ZFWWWQNUSA-N 1 3 306.406 2.386 20 0 DEADHO C[C@@H](N)[C@@H]1CCCC[N@@H+]1CCCOc1ccc2c(c1)OCO2 ZINC000430635379 405474709 /nfs/dbraw/zinc/47/47/09/405474709.db2.gz GTZQQNOLHAZZTF-HIFRSBDPSA-N 1 3 306.406 2.386 20 0 DEADHO C[C@@H](N)[C@@H]1CCCC[N@H+]1CCCOc1ccc2c(c1)OCO2 ZINC000430635379 405474720 /nfs/dbraw/zinc/47/47/20/405474720.db2.gz GTZQQNOLHAZZTF-HIFRSBDPSA-N 1 3 306.406 2.386 20 0 DEADHO CO[C@@]1(C[NH2+]CC2CCN(Cc3cccs3)CC2)CCOC1 ZINC000638457868 405481212 /nfs/dbraw/zinc/48/12/12/405481212.db2.gz ZSBFXNDAPPLVBG-QGZVFWFLSA-N 1 3 324.490 2.355 20 0 DEADHO OCCCN1CCC[C@@H]1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000449387666 405536796 /nfs/dbraw/zinc/53/67/96/405536796.db2.gz MLILONFUYFVEHJ-LJQANCHMSA-N 1 3 323.525 2.220 20 0 DEADHO Cc1ccccc1CCNC(=O)[C@@H](C)N1CCC([C@H](C)[NH3+])CC1 ZINC000430953529 405542732 /nfs/dbraw/zinc/54/27/32/405542732.db2.gz BZTGSLJZLBGVJC-JKSUJKDBSA-N 1 3 317.477 2.101 20 0 DEADHO CC(C)[C@H](CNC(=O)[C@H](C)[C@@H](C)[NH3+])N1CCc2ccccc2C1 ZINC000493768708 405552507 /nfs/dbraw/zinc/55/25/07/405552507.db2.gz PSKOGHOTLHCPNV-RKVPGOIHSA-N 1 3 317.477 2.169 20 0 DEADHO CN(C[C@H]1CCCN(C)C1)C(=O)NCCCCC[NH+]1CCCC1 ZINC000458862061 405630930 /nfs/dbraw/zinc/63/09/30/405630930.db2.gz XICXBPLBCVAKFC-KRWDZBQOSA-N 1 3 324.513 2.236 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000458742937 405568480 /nfs/dbraw/zinc/56/84/80/405568480.db2.gz NSXBBNVDUYMLMX-HOTGVXAUSA-N 1 3 324.513 2.231 20 0 DEADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000458742937 405568488 /nfs/dbraw/zinc/56/84/88/405568488.db2.gz NSXBBNVDUYMLMX-HOTGVXAUSA-N 1 3 324.513 2.231 20 0 DEADHO COC[C@@H](Cc1ccccc1)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000638718317 405632644 /nfs/dbraw/zinc/63/26/44/405632644.db2.gz GIWYYRHTEKWBPV-GOSISDBHSA-N 1 3 320.477 2.069 20 0 DEADHO CCN1C[C@H]([NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1=O ZINC000449516459 405592649 /nfs/dbraw/zinc/59/26/49/405592649.db2.gz GDCBVOQEWIZYPE-CGTJXYLNSA-N 1 3 315.461 2.107 20 0 DEADHO CCc1ccc([C@H](CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])N(C)C)cc1 ZINC000422733275 405678030 /nfs/dbraw/zinc/67/80/30/405678030.db2.gz QUIWQFGKUZDMRD-AXUOBQJMSA-N 1 3 319.493 2.194 20 0 DEADHO CC[C@H](C)[C@H](CNC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)OC ZINC000638747153 405647813 /nfs/dbraw/zinc/64/78/13/405647813.db2.gz BCNMZQZOZCQNFY-HPBDAGMYSA-N 1 3 312.498 2.405 20 0 DEADHO C[NH+](C)C1CCC(NC(=O)[C@H]2CCCN2C2CCCC2)CC1 ZINC000422006556 405658927 /nfs/dbraw/zinc/65/89/27/405658927.db2.gz LUZVZAHUCIJFET-VMBOVVBDSA-N 1 3 307.482 2.382 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000582159487 405679582 /nfs/dbraw/zinc/67/95/82/405679582.db2.gz PQXWQONXEIQSMX-WBVHZDCISA-N 1 3 322.497 2.033 20 0 DEADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000582159487 405679589 /nfs/dbraw/zinc/67/95/89/405679589.db2.gz PQXWQONXEIQSMX-WBVHZDCISA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H]1C[C@@H](C)N(CCC(=O)N2CCc3ccccc32)C[C@H]1C[NH3+] ZINC000422639662 405675447 /nfs/dbraw/zinc/67/54/47/405675447.db2.gz UCLCJMWCXSNZBV-BFYDXBDKSA-N 1 3 315.461 2.271 20 0 DEADHO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)N2CCc3ccccc32)C[C@H]1CN ZINC000422639662 405675454 /nfs/dbraw/zinc/67/54/54/405675454.db2.gz UCLCJMWCXSNZBV-BFYDXBDKSA-N 1 3 315.461 2.271 20 0 DEADHO C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)N2CCc3ccccc32)C[C@H]1CN ZINC000422639662 405675461 /nfs/dbraw/zinc/67/54/61/405675461.db2.gz UCLCJMWCXSNZBV-BFYDXBDKSA-N 1 3 315.461 2.271 20 0 DEADHO C[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)N1CCc2ccccc2C1 ZINC000422716107 405676527 /nfs/dbraw/zinc/67/65/27/405676527.db2.gz MWWVRZWQJYVVRO-MDZRGWNJSA-N 1 3 301.478 2.411 20 0 DEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCc1cn2c(n1)CCCC2 ZINC000422835212 405686989 /nfs/dbraw/zinc/68/69/89/405686989.db2.gz PBGNOSJFKLCYNQ-YJBOKZPZSA-N 1 3 312.461 2.310 20 0 DEADHO CC(C)[C@@H](C[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1)N1CCC(C)CC1 ZINC000422842022 405687429 /nfs/dbraw/zinc/68/74/29/405687429.db2.gz DZHKMKCNTORLTJ-QYZOEREBSA-N 1 3 323.525 2.100 20 0 DEADHO CC(C)[C@@H](CN[C@@H](C1CC1)[C@@H]1CNCCO1)[NH+]1CCC(C)CC1 ZINC000422842022 405687430 /nfs/dbraw/zinc/68/74/30/405687430.db2.gz DZHKMKCNTORLTJ-QYZOEREBSA-N 1 3 323.525 2.100 20 0 DEADHO CC[C@@H]([NH3+])C(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000638832011 405700511 /nfs/dbraw/zinc/70/05/11/405700511.db2.gz ONYBSTOQKYPENR-OLZOCXBDSA-N 1 3 317.355 2.162 20 0 DEADHO FC(F)C(F)(F)COCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423069195 405698530 /nfs/dbraw/zinc/69/85/30/405698530.db2.gz AOLFCNVYWHVYAQ-UTUOFQBUSA-N 1 3 312.351 2.414 20 0 DEADHO CC[NH+](CC)CCSCC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000457125260 405713290 /nfs/dbraw/zinc/71/32/90/405713290.db2.gz QJPYJYLOEOLPMI-HNNXBMFYSA-N 1 3 315.527 2.003 20 0 DEADHO CCCOc1c(OC)cc(CCN[C@H](C)C2C[NH2+]C2)cc1OC ZINC000423150509 405704534 /nfs/dbraw/zinc/70/45/34/405704534.db2.gz ITNBWPOFHJQGPO-CYBMUJFWSA-N 1 3 322.449 2.233 20 0 DEADHO CCCOc1c(OC)cc(CC[NH2+][C@H](C)C2CNC2)cc1OC ZINC000423150509 405704540 /nfs/dbraw/zinc/70/45/40/405704540.db2.gz ITNBWPOFHJQGPO-CYBMUJFWSA-N 1 3 322.449 2.233 20 0 DEADHO CO[C@@]1(CNCc2ccccc2C[N@H+](C)C(C)C)CCOC1 ZINC000638853190 405715845 /nfs/dbraw/zinc/71/58/45/405715845.db2.gz AXCDPARQPVRHEN-GOSISDBHSA-N 1 3 306.450 2.422 20 0 DEADHO CO[C@@]1(CNCc2ccccc2C[N@@H+](C)C(C)C)CCOC1 ZINC000638853190 405715848 /nfs/dbraw/zinc/71/58/48/405715848.db2.gz AXCDPARQPVRHEN-GOSISDBHSA-N 1 3 306.450 2.422 20 0 DEADHO O=C(NCC1CC[NH+](C2CC2)CC1)Nc1ccc2c(c1)CNC2 ZINC000568728931 292362582 /nfs/dbraw/zinc/36/25/82/292362582.db2.gz KCAINAZCMPVLNV-UHFFFAOYSA-N 1 3 314.433 2.286 20 0 DEADHO CN1CCCC[C@@H]1CC[NH+]1CCC(C)(N2CCOCC2)CC1 ZINC000528729445 405724907 /nfs/dbraw/zinc/72/49/07/405724907.db2.gz UDRGRJGMIXKREI-QGZVFWFLSA-N 1 3 309.498 2.048 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CCN1CCC(C)(N2CCOCC2)CC1 ZINC000528729445 405724912 /nfs/dbraw/zinc/72/49/12/405724912.db2.gz UDRGRJGMIXKREI-QGZVFWFLSA-N 1 3 309.498 2.048 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CCN1CCC(C)(N2CCOCC2)CC1 ZINC000528729445 405724920 /nfs/dbraw/zinc/72/49/20/405724920.db2.gz UDRGRJGMIXKREI-QGZVFWFLSA-N 1 3 309.498 2.048 20 0 DEADHO CC(C)[C@H]([NH3+])CNC1CCC2(CC1)c1ccccc1NC2=O ZINC000423268984 405741839 /nfs/dbraw/zinc/74/18/39/405741839.db2.gz GSRLTAZEIDAKNE-NSWWBONSSA-N 1 3 301.434 2.392 20 0 DEADHO C[C@@H](C[NH3+])CN[C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000423297186 405752720 /nfs/dbraw/zinc/75/27/20/405752720.db2.gz JBZWPXAUJLSSND-KBPBESRZSA-N 1 3 302.422 2.245 20 0 DEADHO C[C@@H]1CCN[C@H](C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000423310247 405757028 /nfs/dbraw/zinc/75/70/28/405757028.db2.gz NFCBTSHXEAHILL-QAPCUYQASA-N 1 3 315.461 2.287 20 0 DEADHO C[C@H](N[C@@H]1CC[NH2+][C@H](C)C1)c1ccc(OCCN(C)C)cc1 ZINC000423374801 405782251 /nfs/dbraw/zinc/78/22/51/405782251.db2.gz KAZBVBDQRYESQW-HLLBOEOZSA-N 1 3 305.466 2.418 20 0 DEADHO C[C@H]1CCN[C@H](C(=O)Nc2cccc(OCCC[NH+](C)C)c2)C1 ZINC000423408796 405793552 /nfs/dbraw/zinc/79/35/52/405793552.db2.gz PBBUAPUYBURFCD-YOEHRIQHSA-N 1 3 319.449 2.344 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](N)CC2CCCCC2)C1 ZINC000423412092 405795765 /nfs/dbraw/zinc/79/57/65/405795765.db2.gz WCLFCDONSYIXIQ-SJORKVTESA-N 1 3 309.498 2.378 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H](N)CC2CCCCC2)C1 ZINC000423412092 405795774 /nfs/dbraw/zinc/79/57/74/405795774.db2.gz WCLFCDONSYIXIQ-SJORKVTESA-N 1 3 309.498 2.378 20 0 DEADHO C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1)CN1CCCCC1 ZINC000583989224 405801835 /nfs/dbraw/zinc/80/18/35/405801835.db2.gz LWXVYKIXDSGKHK-IAGOWNOFSA-N 1 3 306.450 2.138 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1)N(C)C ZINC000495163071 405829756 /nfs/dbraw/zinc/82/97/56/405829756.db2.gz GXOJRSOINVWURN-NCOADZHNSA-N 1 3 309.498 2.436 20 0 DEADHO CC[C@@H](N)C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000423462100 405814084 /nfs/dbraw/zinc/81/40/84/405814084.db2.gz KHMNMORGZMMLRT-DZGCQCFKSA-N 1 3 302.422 2.387 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H](c2nnc[n-]2)c2ccc(F)cc2)C1 ZINC000423465745 405815201 /nfs/dbraw/zinc/81/52/01/405815201.db2.gz HUHXYRVXKWRCNN-KCPJHIHWSA-N 1 3 303.385 2.140 20 0 DEADHO C[C@H](N[C@H]1CNCCC1(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423477643 405818990 /nfs/dbraw/zinc/81/89/90/405818990.db2.gz KGBXJAKTHJXGML-XIRDDKMYSA-N 1 3 323.431 2.484 20 0 DEADHO C[C@H](N[C@H]1CNCCC1(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423477643 405818992 /nfs/dbraw/zinc/81/89/92/405818992.db2.gz KGBXJAKTHJXGML-XIRDDKMYSA-N 1 3 323.431 2.484 20 0 DEADHO CC[C@H](C(=O)N1C[C@H](C[NH3+])Cc2ccccc21)N(CC)CC ZINC000639021054 405823817 /nfs/dbraw/zinc/82/38/17/405823817.db2.gz DWIWOEPAUWWHKL-GOEBONIOSA-N 1 3 303.450 2.271 20 0 DEADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2CCOC[C@@H]2C)cc1 ZINC000423339304 405767645 /nfs/dbraw/zinc/76/76/45/405767645.db2.gz SGDBWTINLGVENW-RUGDWHBFSA-N 1 3 304.434 2.155 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(-n2cncn2)c(F)c1 ZINC000560961433 405882348 /nfs/dbraw/zinc/88/23/48/405882348.db2.gz QLQBIQLPOCFXRM-HIFRSBDPSA-N 1 3 303.385 2.014 20 0 DEADHO CCC[N@H+](CC)CCNC(=O)Nc1cccc2c1CCNC2 ZINC000561046943 405887399 /nfs/dbraw/zinc/88/73/99/405887399.db2.gz ZTJJJNQLZZMCCX-UHFFFAOYSA-N 1 3 304.438 2.186 20 0 DEADHO CCC[N@@H+](CC)CCNC(=O)Nc1cccc2c1CCNC2 ZINC000561046943 405887401 /nfs/dbraw/zinc/88/74/01/405887401.db2.gz ZTJJJNQLZZMCCX-UHFFFAOYSA-N 1 3 304.438 2.186 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561089980 405889525 /nfs/dbraw/zinc/88/95/25/405889525.db2.gz OSZYHNXMRHTBGE-MSOLQXFVSA-N 1 3 315.461 2.109 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561089980 405889527 /nfs/dbraw/zinc/88/95/27/405889527.db2.gz OSZYHNXMRHTBGE-MSOLQXFVSA-N 1 3 315.461 2.109 20 0 DEADHO CCn1ccnc1[C@H]1OCCC[C@@H]1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000639079439 405868343 /nfs/dbraw/zinc/86/83/43/405868343.db2.gz OBKCQUAWHJCNGI-UGUYLWEFSA-N 1 3 306.454 2.195 20 0 DEADHO CCn1ccnc1[C@H]1OCCC[C@@H]1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000639079439 405868348 /nfs/dbraw/zinc/86/83/48/405868348.db2.gz OBKCQUAWHJCNGI-UGUYLWEFSA-N 1 3 306.454 2.195 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C[C@@H]2COCCO2)CC1 ZINC000450495149 405929062 /nfs/dbraw/zinc/92/90/62/405929062.db2.gz SBXBZCUVIQLLBV-FUHWJXTLSA-N 1 3 310.482 2.378 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C[C@@H]2COCCO2)CC1 ZINC000450495149 405929071 /nfs/dbraw/zinc/92/90/71/405929071.db2.gz SBXBZCUVIQLLBV-FUHWJXTLSA-N 1 3 310.482 2.378 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000423739354 405937273 /nfs/dbraw/zinc/93/72/73/405937273.db2.gz HIPPUNAJXMSTNB-PKOBYXMFSA-N 1 3 315.461 2.096 20 0 DEADHO C[C@@H]([NH3+])[C@H](C)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000423743114 405942007 /nfs/dbraw/zinc/94/20/07/405942007.db2.gz JORMFIMKYWPYHH-QWHCGFSZSA-N 1 3 311.857 2.214 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000423745213 405942192 /nfs/dbraw/zinc/94/21/92/405942192.db2.gz PCQKOHMQKCSOKP-KRWDZBQOSA-N 1 3 303.450 2.239 20 0 DEADHO C[NH2+]CCCC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000423751034 405944301 /nfs/dbraw/zinc/94/43/01/405944301.db2.gz UQPNBUQMJYHBSN-UHFFFAOYSA-N 1 3 311.857 2.230 20 0 DEADHO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459574629 405962120 /nfs/dbraw/zinc/96/21/20/405962120.db2.gz SHKIKHXMRJHDSE-SJORKVTESA-N 1 3 317.433 2.372 20 0 DEADHO CCOc1cc(CNCC2(O)CC[NH+](C(C)C)CC2)ccc1O ZINC000459442064 405904116 /nfs/dbraw/zinc/90/41/16/405904116.db2.gz PKHNBEWAFXHVQJ-UHFFFAOYSA-N 1 3 322.449 2.116 20 0 DEADHO c1cc2c(s1)CCN(CCNC1CC[NH+](C3CC3)CC1)C2 ZINC000459459803 405910829 /nfs/dbraw/zinc/91/08/29/405910829.db2.gz FLWODLHWYYHJRN-UHFFFAOYSA-N 1 3 305.491 2.323 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423712380 405922487 /nfs/dbraw/zinc/92/24/87/405922487.db2.gz ODJFTVUHXWWVSJ-KSZLIROESA-N 1 3 315.461 2.107 20 0 DEADHO CCN1CC[C@H]([NH2+]Cc2cnn(CC(F)(F)F)c2)[C@H](C)C1 ZINC000531988924 406032637 /nfs/dbraw/zinc/03/26/37/406032637.db2.gz WMIZPDVNINIBKT-YPMHNXCESA-N 1 3 304.360 2.265 20 0 DEADHO CCC[NH+]1CCC(NC[C@H](CO)c2ccc(OC)cc2)CC1 ZINC000459755202 406034007 /nfs/dbraw/zinc/03/40/07/406034007.db2.gz PWQITAOPOGAGFC-MRXNPFEDSA-N 1 3 306.450 2.235 20 0 DEADHO O=C([C@@H]1CCCCN1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423799466 405975117 /nfs/dbraw/zinc/97/51/17/405975117.db2.gz QAEZJZKDUXIRCE-KRWDZBQOSA-N 1 3 307.482 2.243 20 0 DEADHO C[C@H]([NH2+]C[C@@H]1CCNC(=O)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000450729456 405978786 /nfs/dbraw/zinc/97/87/86/405978786.db2.gz SFXCVSNWWOZKKF-JYJNAYRXSA-N 1 3 307.482 2.145 20 0 DEADHO CCN1CCN(c2ccccc2C[NH+]2CC(C(C)(C)O)C2)CC1 ZINC000459607505 405982419 /nfs/dbraw/zinc/98/24/19/405982419.db2.gz GCYZGPMYQMXPGA-UHFFFAOYSA-N 1 3 317.477 2.031 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000562365066 405994355 /nfs/dbraw/zinc/99/43/55/405994355.db2.gz HHZMWGVUWNLHOP-QGZVFWFLSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000562365066 405994357 /nfs/dbraw/zinc/99/43/57/405994357.db2.gz HHZMWGVUWNLHOP-QGZVFWFLSA-N 1 3 307.482 2.192 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@H](NC[C@H](O)COCc2cccs2)C1 ZINC000515414702 406068186 /nfs/dbraw/zinc/06/81/86/406068186.db2.gz MJCRRSYDPDDYIF-ZNMIVQPWSA-N 1 3 312.479 2.088 20 0 DEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COCc2cccs2)C1 ZINC000515414702 406068192 /nfs/dbraw/zinc/06/81/92/406068192.db2.gz MJCRRSYDPDDYIF-ZNMIVQPWSA-N 1 3 312.479 2.088 20 0 DEADHO N[C@H]1CCC[C@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000565593396 406074360 /nfs/dbraw/zinc/07/43/60/406074360.db2.gz UOJXIWCJAUEHIZ-QWHCGFSZSA-N 1 3 306.797 2.402 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@H](c1cccs1)N1CCCC1 ZINC000567641085 406110944 /nfs/dbraw/zinc/11/09/44/406110944.db2.gz AEMWSTPUZQJCHK-VGWMRTNUSA-N 1 3 323.506 2.227 20 0 DEADHO C[C@@H]1C[C@@H](C)[N@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000475028957 406146019 /nfs/dbraw/zinc/14/60/19/406146019.db2.gz CWWUYMGMFXAXJK-BFYDXBDKSA-N 1 3 303.450 2.136 20 0 DEADHO C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000475028957 406146022 /nfs/dbraw/zinc/14/60/22/406146022.db2.gz CWWUYMGMFXAXJK-BFYDXBDKSA-N 1 3 303.450 2.136 20 0 DEADHO C[C@H]1CC[NH2+]C[C@H]1NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000422858135 533677047 /nfs/dbraw/zinc/67/70/47/533677047.db2.gz IMONHOMYIUAWKO-SUMWQHHRSA-N 1 3 319.424 2.018 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000519638417 406226189 /nfs/dbraw/zinc/22/61/89/406226189.db2.gz ATVYHRSKSMMAOP-MAUKXSAKSA-N 1 3 315.461 2.110 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000519638417 406226194 /nfs/dbraw/zinc/22/61/94/406226194.db2.gz ATVYHRSKSMMAOP-MAUKXSAKSA-N 1 3 315.461 2.110 20 0 DEADHO [NH3+][C@H]1CCC[C@H](NCCc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000519781645 406253072 /nfs/dbraw/zinc/25/30/72/406253072.db2.gz VFEKXSSOVOGWGT-HOCLYGCPSA-N 1 3 302.397 2.413 20 0 DEADHO N[C@H]1CCC[C@H]([NH2+]CCc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000519781645 406253076 /nfs/dbraw/zinc/25/30/76/406253076.db2.gz VFEKXSSOVOGWGT-HOCLYGCPSA-N 1 3 302.397 2.413 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1CC=CC1 ZINC000637366154 406277925 /nfs/dbraw/zinc/27/79/25/406277925.db2.gz JEAHFGFFKNMXOZ-KRWDZBQOSA-N 1 3 322.497 2.010 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1CC=CC1 ZINC000637366154 406277931 /nfs/dbraw/zinc/27/79/31/406277931.db2.gz JEAHFGFFKNMXOZ-KRWDZBQOSA-N 1 3 322.497 2.010 20 0 DEADHO Cc1ccc2cc(C[N@@H+]3CC[C@@H](n4cc(CN)nn4)C3)ccc2n1 ZINC000634999866 406393051 /nfs/dbraw/zinc/39/30/51/406393051.db2.gz BIMZPMNDUQRWQJ-QGZVFWFLSA-N 1 3 322.416 2.040 20 0 DEADHO Cc1ccc2cc(C[N@H+]3CC[C@@H](n4cc(CN)nn4)C3)ccc2n1 ZINC000634999866 406393056 /nfs/dbraw/zinc/39/30/56/406393056.db2.gz BIMZPMNDUQRWQJ-QGZVFWFLSA-N 1 3 322.416 2.040 20 0 DEADHO C[C@@H]1C[N@H+](CCCNCCC(=O)Nc2ccccc2)CCCO1 ZINC000570444804 406394644 /nfs/dbraw/zinc/39/46/44/406394644.db2.gz OHODWWOPDRHYBF-MRXNPFEDSA-N 1 3 319.449 2.106 20 0 DEADHO C[C@@H]1C[N@@H+](CCCNCCC(=O)Nc2ccccc2)CCCO1 ZINC000570444804 406394649 /nfs/dbraw/zinc/39/46/49/406394649.db2.gz OHODWWOPDRHYBF-MRXNPFEDSA-N 1 3 319.449 2.106 20 0 DEADHO CC(C)n1cc([C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)cn1 ZINC000635010228 406398585 /nfs/dbraw/zinc/39/85/85/406398585.db2.gz RBTGTNGXTLTHFE-CQSZACIVSA-N 1 3 314.437 2.442 20 0 DEADHO Cc1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCN(C(C)C)C2)c1 ZINC000521862656 406370194 /nfs/dbraw/zinc/37/01/94/406370194.db2.gz GXOSMODUXPYKMT-ZWKOTPCHSA-N 1 3 320.477 2.445 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@H]1NCCc2ccccc21 ZINC000570278872 406371330 /nfs/dbraw/zinc/37/13/30/406371330.db2.gz RIQIPNJOWKLZHX-SJLPKXTDSA-N 1 3 315.461 2.254 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@H]1NCCc2ccccc21 ZINC000570278872 406371337 /nfs/dbraw/zinc/37/13/37/406371337.db2.gz RIQIPNJOWKLZHX-SJLPKXTDSA-N 1 3 315.461 2.254 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)[C@@H]1CC[NH2+][C@H]1C)c1ccccc1 ZINC000521867623 406371346 /nfs/dbraw/zinc/37/13/46/406371346.db2.gz MNBCJWSFWUVVAM-OFQRWUPVSA-N 1 3 303.450 2.230 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)N2CCC(C)([NH+]3CCCC3)CC2)CCN1C ZINC000633092780 406379436 /nfs/dbraw/zinc/37/94/36/406379436.db2.gz LXZQXHXDLALRTB-HOTGVXAUSA-N 1 3 322.497 2.129 20 0 DEADHO O=C(NCCC[NH+]1CCCCCC1)[C@H]1CNCc2ccccc21 ZINC000571049117 406472845 /nfs/dbraw/zinc/47/28/45/406472845.db2.gz DURNQDJNCFIKKL-SFHVURJKSA-N 1 3 315.461 2.256 20 0 DEADHO CC[C@@H](C)N[C@H](CNC(=O)C1(C[NH+](C)C)CC1)c1ccco1 ZINC000640300953 406458181 /nfs/dbraw/zinc/45/81/81/406458181.db2.gz WPDUJORZFPVRAW-ZIAGYGMSSA-N 1 3 307.438 2.167 20 0 DEADHO CC(C)CC[C@H](N)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000638061288 406550293 /nfs/dbraw/zinc/55/02/93/406550293.db2.gz AOKZJQRXJFHFJN-INIZCTEOSA-N 1 3 307.438 2.329 20 0 DEADHO C[C@@H]1CCC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000527202719 406595135 /nfs/dbraw/zinc/59/51/35/406595135.db2.gz ZBEAATJHGFLDKU-HZPDHXFCSA-N 1 3 312.502 2.090 20 0 DEADHO Cc1ccc(NC(=O)C2(C[NH+](C)C)CC2)c(OCCN(C)C)c1 ZINC000635591016 406606378 /nfs/dbraw/zinc/60/63/78/406606378.db2.gz QOMMBBILIBIPLZ-UHFFFAOYSA-N 1 3 319.449 2.216 20 0 DEADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@H]1CCN1C1CCCC1 ZINC000635613642 406624035 /nfs/dbraw/zinc/62/40/35/406624035.db2.gz BQVHNEDWXCBACK-NVXWUHKLSA-N 1 3 307.482 2.336 20 0 DEADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@H]1CCN1C1CCCC1 ZINC000635613642 406624041 /nfs/dbraw/zinc/62/40/41/406624041.db2.gz BQVHNEDWXCBACK-NVXWUHKLSA-N 1 3 307.482 2.336 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCN2C2CCCC2)C1 ZINC000635624758 406632753 /nfs/dbraw/zinc/63/27/53/406632753.db2.gz MLHOCBRYWWLLRN-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCN2C2CCCC2)C1 ZINC000635624758 406632755 /nfs/dbraw/zinc/63/27/55/406632755.db2.gz MLHOCBRYWWLLRN-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N1C[C@H]([NH3+])C[C@@H]1C)c1ccccc1 ZINC000635528751 406576390 /nfs/dbraw/zinc/57/63/90/406576390.db2.gz WGZXKILARPFXHM-USXIJHARSA-N 1 3 318.465 2.201 20 0 DEADHO C[C@H](C[C@@H]1COCCN1)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000572392395 406661005 /nfs/dbraw/zinc/66/10/05/406661005.db2.gz FBJBUHQPEYTKPH-ZMYBRWDISA-N 1 3 313.445 2.196 20 0 DEADHO CC[NH2+][C@@H](C)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000638273880 406664060 /nfs/dbraw/zinc/66/40/60/406664060.db2.gz BWTGAXCXEVPIBE-KRWDZBQOSA-N 1 3 317.477 2.152 20 0 DEADHO CC(C)CC[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000638311434 406691783 /nfs/dbraw/zinc/69/17/83/406691783.db2.gz WDGYKUHDKBCKSH-XIRDDKMYSA-N 1 3 307.482 2.225 20 0 DEADHO CC(C)CC[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000638311434 406691785 /nfs/dbraw/zinc/69/17/85/406691785.db2.gz WDGYKUHDKBCKSH-XIRDDKMYSA-N 1 3 307.482 2.225 20 0 DEADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)CN2CCCCC2)[C@]12CCCO2 ZINC000638391323 406743274 /nfs/dbraw/zinc/74/32/74/406743274.db2.gz PDPWMORBTYIMCI-XMTFNYHQSA-N 1 3 310.482 2.425 20 0 DEADHO C[NH+](C)C/C=C\C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000491852507 406748720 /nfs/dbraw/zinc/74/87/20/406748720.db2.gz UAJZEGXVOPJRAM-QCSXQHJISA-N 1 3 315.461 2.275 20 0 DEADHO CC[NH+](CC)CCOc1ccc(NC(=O)/C=C\CN(C)C)cc1 ZINC000491879285 406759693 /nfs/dbraw/zinc/75/96/93/406759693.db2.gz AHNGBFGETNGQEA-FPLPWBNLSA-N 1 3 319.449 2.464 20 0 DEADHO CN1CCN(CCCC[NH2+]CC(C)(C)Oc2ccccc2)CC1 ZINC000638359319 406723106 /nfs/dbraw/zinc/72/31/06/406723106.db2.gz JNQORNWHTMBFFO-UHFFFAOYSA-N 1 3 319.493 2.461 20 0 DEADHO CCCN[C@H](C)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000646278964 406833987 /nfs/dbraw/zinc/83/39/87/406833987.db2.gz RBLKNQUPDWVACO-CQSZACIVSA-N 1 3 307.438 2.344 20 0 DEADHO CCc1nc(C)c(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)o1 ZINC000641799682 406894827 /nfs/dbraw/zinc/89/48/27/406894827.db2.gz PAFVUUZGCUAPBT-GJZGRUSLSA-N 1 3 307.438 2.264 20 0 DEADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCC(=O)NCc1ccccc1Cl ZINC000641802887 406895779 /nfs/dbraw/zinc/89/57/79/406895779.db2.gz BSNVYARQMDMBDK-ZIAGYGMSSA-N 1 3 309.841 2.062 20 0 DEADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000641803782 406896277 /nfs/dbraw/zinc/89/62/77/406896277.db2.gz HMPNJUXCUQBFAF-GVDBMIGSSA-N 1 3 315.461 2.286 20 0 DEADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000643057196 406950053 /nfs/dbraw/zinc/95/00/53/406950053.db2.gz YCHPVDGVMXLESX-CVEARBPZSA-N 1 3 314.433 2.340 20 0 DEADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000643057196 406950055 /nfs/dbraw/zinc/95/00/55/406950055.db2.gz YCHPVDGVMXLESX-CVEARBPZSA-N 1 3 314.433 2.340 20 0 DEADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000643057196 406950056 /nfs/dbraw/zinc/95/00/56/406950056.db2.gz YCHPVDGVMXLESX-CVEARBPZSA-N 1 3 314.433 2.340 20 0 DEADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1cccc(-n2cnnn2)c1 ZINC000643523457 407010901 /nfs/dbraw/zinc/01/09/01/407010901.db2.gz MEEZBYASYPXPAF-ZDUSSCGKSA-N 1 3 320.400 2.116 20 0 DEADHO C[C@@H](C(=O)NCC(C)(C)C[NH+]1CCCC1)N1CCCCCC1 ZINC000361399007 286773039 /nfs/dbraw/zinc/77/30/39/286773039.db2.gz XZAXRURZXDJLIR-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]C[C@@H]2C[C@H](F)CN2)CC1 ZINC000643538498 407012423 /nfs/dbraw/zinc/01/24/23/407012423.db2.gz LPNIBYFFIQIZCJ-IEZWGBDMSA-N 1 3 319.468 2.372 20 0 DEADHO NC[C@@H]1C[N@H+](C[C@@H]2CCOc3ccccc32)CC12CCOCC2 ZINC000647545440 407017882 /nfs/dbraw/zinc/01/78/82/407017882.db2.gz HPGDNOIOWDKNQD-JKSUJKDBSA-N 1 3 316.445 2.240 20 0 DEADHO NC[C@@H]1C[N@@H+](C[C@@H]2CCOc3ccccc32)CC12CCOCC2 ZINC000647545440 407017883 /nfs/dbraw/zinc/01/78/83/407017883.db2.gz HPGDNOIOWDKNQD-JKSUJKDBSA-N 1 3 316.445 2.240 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)CCN1C ZINC000647344406 406989012 /nfs/dbraw/zinc/98/90/12/406989012.db2.gz PXCXUGUPVDTEAB-YSHGAJCASA-N 1 3 301.478 2.404 20 0 DEADHO C[NH2+][C@@H]1CCCN(Cc2ccc(OCCN3CCCC3)cc2)C1 ZINC000647491499 407006985 /nfs/dbraw/zinc/00/69/85/407006985.db2.gz XFMNZUWTYPQYSJ-GOSISDBHSA-N 1 3 317.477 2.345 20 0 DEADHO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)NC(C1CC1)C1CC1 ZINC000647977200 407092411 /nfs/dbraw/zinc/09/24/11/407092411.db2.gz ZDOACUCCYIUMEF-SJORKVTESA-N 1 3 319.493 2.003 20 0 DEADHO COc1ccccc1[C@H]1CCCCN1CCN1CC[NH2+]CC1 ZINC000647884374 407067146 /nfs/dbraw/zinc/06/71/46/407067146.db2.gz IAPXUEYXSUPPFR-QGZVFWFLSA-N 1 3 303.450 2.127 20 0 DEADHO CN(CCCC1CC[NH2+]CC1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000647888183 407067942 /nfs/dbraw/zinc/06/79/42/407067942.db2.gz XIPXSOSZQFQSPJ-JKSUJKDBSA-N 1 3 316.511 2.054 20 0 DEADHO Cc1noc(C)c1[C@H](C)CNC1CC[NH+](CC(C)(C)O)CC1 ZINC000647909352 407072747 /nfs/dbraw/zinc/07/27/47/407072747.db2.gz FCYFBWHDBZZDCR-GFCCVEGCSA-N 1 3 309.454 2.220 20 0 DEADHO Cc1noc(C)c1C[C@@H](C)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000647908966 407072800 /nfs/dbraw/zinc/07/28/00/407072800.db2.gz BUDIVJYFBDSVAQ-GFCCVEGCSA-N 1 3 309.454 2.047 20 0 DEADHO COc1ccccc1[C@@H]1CNCCN1CCCC1CC[NH2+]CC1 ZINC000647951798 407083255 /nfs/dbraw/zinc/08/32/55/407083255.db2.gz TVZDGRPQZLDPCH-SFHVURJKSA-N 1 3 317.477 2.421 20 0 DEADHO CC[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)CCO1 ZINC000648510659 407190765 /nfs/dbraw/zinc/19/07/65/407190765.db2.gz FZMMCZMSEXGUOU-IPMKNSEASA-N 1 3 318.461 2.300 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CC[NH2+]C12CCCC2)[C@@H](N)c1ccccc1 ZINC000648205701 407138353 /nfs/dbraw/zinc/13/83/53/407138353.db2.gz LLIOKVCTKWMBIS-NUEKZKHPSA-N 1 3 301.434 2.113 20 0 DEADHO O[C@H](CNC1CC[NH+](C2CCC2)CC1)Cc1ccc(F)cc1 ZINC000644663768 407163249 /nfs/dbraw/zinc/16/32/49/407163249.db2.gz IZTKCBPKVSEKHV-SFHVURJKSA-N 1 3 306.425 2.336 20 0 DEADHO CC[C@@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)CCO1 ZINC000648461197 407184776 /nfs/dbraw/zinc/18/47/76/407184776.db2.gz WKGUEUXWWKGXIT-ZWKOTPCHSA-N 1 3 323.525 2.484 20 0 DEADHO COc1ccc(COCC[N@@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000644784171 407188626 /nfs/dbraw/zinc/18/86/26/407188626.db2.gz CGINOXOURCLNCU-SFHVURJKSA-N 1 3 304.434 2.239 20 0 DEADHO COc1ccc(COCC[N@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000644784171 407188629 /nfs/dbraw/zinc/18/86/29/407188629.db2.gz CGINOXOURCLNCU-SFHVURJKSA-N 1 3 304.434 2.239 20 0 DEADHO CCCN(C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)[C@@H]1CCN(C)C1 ZINC000645264093 407255628 /nfs/dbraw/zinc/25/56/28/407255628.db2.gz ZCBPEFSCTSIIMR-IAGOWNOFSA-N 1 3 324.513 2.233 20 0 DEADHO CCCN(C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)[C@@H]1CCN(C)C1 ZINC000645264093 407255630 /nfs/dbraw/zinc/25/56/30/407255630.db2.gz ZCBPEFSCTSIIMR-IAGOWNOFSA-N 1 3 324.513 2.233 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)c1ccccc1 ZINC000645183742 407243498 /nfs/dbraw/zinc/24/34/98/407243498.db2.gz QNXOQMCHJIABKN-JKSUJKDBSA-N 1 3 303.450 2.184 20 0 DEADHO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000645215396 407248520 /nfs/dbraw/zinc/24/85/20/407248520.db2.gz LBTGUVBUTUJJKM-YJBOKZPZSA-N 1 3 306.450 2.268 20 0 DEADHO CCCN(C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)[C@H]1CCN(C)C1 ZINC000645222853 407248925 /nfs/dbraw/zinc/24/89/25/407248925.db2.gz RUCWXJKQHYXMRK-SJORKVTESA-N 1 3 324.513 2.233 20 0 DEADHO CCCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@@H]1CCN(C)C1 ZINC000645354211 407268052 /nfs/dbraw/zinc/26/80/52/407268052.db2.gz QDEQAQLLPKDIKW-LSDHHAIUSA-N 1 3 312.502 2.088 20 0 DEADHO Cc1ccccc1CN1CCCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000645472498 407283335 /nfs/dbraw/zinc/28/33/35/407283335.db2.gz LDIFZCLBDFZEOI-LJQANCHMSA-N 1 3 315.461 2.029 20 0 DEADHO CCCN(C(=O)N[C@H](C)C[N@H+](CC)CCC)[C@H]1CCN(C)C1 ZINC000645513170 407287966 /nfs/dbraw/zinc/28/79/66/407287966.db2.gz RBLJOQPJTMZLEU-CVEARBPZSA-N 1 3 312.502 2.233 20 0 DEADHO CCCN(C(=O)N[C@H](C)C[N@@H+](CC)CCC)[C@H]1CCN(C)C1 ZINC000645513170 407287968 /nfs/dbraw/zinc/28/79/68/407287968.db2.gz RBLJOQPJTMZLEU-CVEARBPZSA-N 1 3 312.502 2.233 20 0 DEADHO CC[C@@H](CN[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC000130592791 196093667 /nfs/dbraw/zinc/09/36/67/196093667.db2.gz FGOBZPFPPPLYJF-CABCVRRESA-N 1 3 311.470 2.460 20 0 DEADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000132208750 196235189 /nfs/dbraw/zinc/23/51/89/196235189.db2.gz ZKLANLBNMRQAMU-NXHRZFHOSA-N 1 3 315.461 2.250 20 0 DEADHO Cc1ccc(NC(=O)C[C@@H]2CSCC[NH2+]2)c(CN(C)C)c1 ZINC000133847721 196339405 /nfs/dbraw/zinc/33/94/05/196339405.db2.gz YJFXXXFLMAMUPB-CQSZACIVSA-N 1 3 307.463 2.090 20 0 DEADHO COc1ccc(F)cc1CNCCCC[N@@H+]1CCC[C@@H]1CO ZINC000291161667 222184712 /nfs/dbraw/zinc/18/47/12/222184712.db2.gz IQDVDTSNONOHOU-MRXNPFEDSA-N 1 3 310.413 2.161 20 0 DEADHO COc1ccc(F)cc1CNCCCC[N@H+]1CCC[C@@H]1CO ZINC000291161667 222184713 /nfs/dbraw/zinc/18/47/13/222184713.db2.gz IQDVDTSNONOHOU-MRXNPFEDSA-N 1 3 310.413 2.161 20 0 DEADHO Cc1n[nH]c(CC[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)n1 ZINC000291200191 222216838 /nfs/dbraw/zinc/21/68/38/222216838.db2.gz QBKIQKJPQYMNGN-YOEHRIQHSA-N 1 3 313.449 2.298 20 0 DEADHO Cc1nc(CC[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)n[nH]1 ZINC000291200191 222216841 /nfs/dbraw/zinc/21/68/41/222216841.db2.gz QBKIQKJPQYMNGN-YOEHRIQHSA-N 1 3 313.449 2.298 20 0 DEADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C)CCC[NH3+])N(C)C)cc1 ZINC000417312626 229006352 /nfs/dbraw/zinc/00/63/52/229006352.db2.gz NYFRWAOFIJALMD-HOCLYGCPSA-N 1 3 306.454 2.024 20 0 DEADHO [NH3+]CCCCNC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000417316862 229007276 /nfs/dbraw/zinc/00/72/76/229007276.db2.gz GOFOPEKKVMZYGM-QGZVFWFLSA-N 1 3 318.465 2.079 20 0 DEADHO C[C@H](CC[NH3+])NC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000417698250 229070957 /nfs/dbraw/zinc/07/09/57/229070957.db2.gz GDNKZDLKGRATCN-ZIAGYGMSSA-N 1 3 306.454 2.152 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N[C@H](CCC[NH3+])c2ccccc2)CCN1C ZINC000417754107 229087917 /nfs/dbraw/zinc/08/79/17/229087917.db2.gz PDRYNKSYRSFWQG-HYVNUMGLSA-N 1 3 318.465 2.249 20 0 DEADHO C[C@H](NC(=O)N1CCC(C[NH3+])CC1)[C@@H](c1ccccc1)N(C)C ZINC000418174558 229255800 /nfs/dbraw/zinc/25/58/00/229255800.db2.gz FGDWNRHLPYVJHV-YOEHRIQHSA-N 1 3 318.465 2.058 20 0 DEADHO O=C(NCC[C@@H]1CCC[NH2+]C1)N1CCC[C@H]1CN1CCCCC1 ZINC000418342972 229315963 /nfs/dbraw/zinc/31/59/63/229315963.db2.gz JCIITALZHQDMIY-IRXDYDNUSA-N 1 3 322.497 2.036 20 0 DEADHO C[C@]1(CNC(=O)N2CCN(C3CCCCC3)CC2)CCC[NH2+]C1 ZINC000418524539 229376765 /nfs/dbraw/zinc/37/67/65/229376765.db2.gz WMDYPILCJFKZLX-SFHVURJKSA-N 1 3 322.497 2.036 20 0 DEADHO C[C@@H](CC[NH3+])NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000418564787 229389878 /nfs/dbraw/zinc/38/98/78/229389878.db2.gz UUXWBBRXVCTGNB-HOTGVXAUSA-N 1 3 318.465 2.030 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cccc(CN2CCOCC2)c1 ZINC000422695376 230166739 /nfs/dbraw/zinc/16/67/39/230166739.db2.gz PROCETKTIBUWKF-RTBURBONSA-N 1 3 317.477 2.126 20 0 DEADHO C[C@@H]1CCCC[C@@H]1OCCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422710704 230172788 /nfs/dbraw/zinc/17/27/88/230172788.db2.gz MADSUQZTNIQONM-ILOCAZANSA-N 1 3 310.482 2.328 20 0 DEADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000422720549 230176557 /nfs/dbraw/zinc/17/65/57/230176557.db2.gz SQVTVYAFRAOXAB-HOCLYGCPSA-N 1 3 324.428 2.305 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000422735925 230182883 /nfs/dbraw/zinc/18/28/83/230182883.db2.gz FORREXZVPQLJHN-AEIBSFOJSA-N 1 3 317.477 2.164 20 0 DEADHO CN(C)[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422750238 230188806 /nfs/dbraw/zinc/18/88/06/230188806.db2.gz CMHDIHABXVSYDA-WJFTUGDTSA-N 1 3 317.477 2.036 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cc(F)ccc1N1CCOCC1 ZINC000422776794 230205586 /nfs/dbraw/zinc/20/55/86/230205586.db2.gz DXQAATUCBQMOGV-YOEHRIQHSA-N 1 3 321.440 2.269 20 0 DEADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000422837070 230234426 /nfs/dbraw/zinc/23/44/26/230234426.db2.gz LGASLQDREFRAON-XZJROXQQSA-N 1 3 305.397 2.191 20 0 DEADHO Fc1cc(F)cc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422849126 230242026 /nfs/dbraw/zinc/24/20/26/230242026.db2.gz UPPBNUMBIDIGBQ-IXDOHACOSA-N 1 3 310.388 2.254 20 0 DEADHO COc1cc(OC)c(CCN[C@@H]2CC[NH2+]CC[C@@H]2C)c(OC)c1 ZINC000422885500 230259031 /nfs/dbraw/zinc/25/90/31/230259031.db2.gz GUYCQJGHJCJPKY-XJKSGUPXSA-N 1 3 322.449 2.233 20 0 DEADHO COc1cc(OC)c(CC[NH2+][C@@H]2CCNCC[C@@H]2C)c(OC)c1 ZINC000422885500 230259035 /nfs/dbraw/zinc/25/90/35/230259035.db2.gz GUYCQJGHJCJPKY-XJKSGUPXSA-N 1 3 322.449 2.233 20 0 DEADHO COc1cc(OC)cc(OCCC[NH2+][C@H]2CCNCC[C@H]2C)c1 ZINC000422930410 230283092 /nfs/dbraw/zinc/28/30/92/230283092.db2.gz UFYCOXGIBAGHNH-KDOFPFPSSA-N 1 3 322.449 2.450 20 0 DEADHO COc1cc(OC)cc(OCCCN[C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422930410 230283097 /nfs/dbraw/zinc/28/30/97/230283097.db2.gz UFYCOXGIBAGHNH-KDOFPFPSSA-N 1 3 322.449 2.450 20 0 DEADHO Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422953982 230294055 /nfs/dbraw/zinc/29/40/55/230294055.db2.gz GTWGOEMXSGOCBC-OLZOCXBDSA-N 1 3 301.438 2.341 20 0 DEADHO c1ccc2c(c1)CC(CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)C2 ZINC000422979352 230304141 /nfs/dbraw/zinc/30/41/41/230304141.db2.gz JKIOIKAZZFBAHQ-IPMKNSEASA-N 1 3 300.446 2.148 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCOc1ccc(C(F)(F)F)cn1 ZINC000422986920 230305008 /nfs/dbraw/zinc/30/50/08/230305008.db2.gz DVUITWVSVAIHAO-JQWIXIFHSA-N 1 3 303.328 2.196 20 0 DEADHO [NH3+][C@@H]1CCC[C@H]1NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000423076131 230341212 /nfs/dbraw/zinc/34/12/12/230341212.db2.gz QLTGFIOGCSVHFR-BRWVUGGUSA-N 1 3 305.491 2.073 20 0 DEADHO CS[C@H](CO)[C@@H](C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000154178369 424861343 /nfs/dbraw/zinc/86/13/43/424861343.db2.gz YZJOUCJCDRGDMW-CZUORRHYSA-N 1 3 300.512 2.486 20 0 DEADHO CS[C@H](CO)[C@@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000154178369 424861344 /nfs/dbraw/zinc/86/13/44/424861344.db2.gz YZJOUCJCDRGDMW-CZUORRHYSA-N 1 3 300.512 2.486 20 0 DEADHO NCc1cccc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000382473605 424909619 /nfs/dbraw/zinc/90/96/19/424909619.db2.gz GCNXLCITTIONLE-INIZCTEOSA-N 1 3 302.422 2.237 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)CCC(C)(C)[NH3+])CN1Cc1ccccc1 ZINC000398102964 424922563 /nfs/dbraw/zinc/92/25/63/424922563.db2.gz ZWQACYZKMPEUIS-GOEBONIOSA-N 1 3 303.450 2.283 20 0 DEADHO C[C@@H]1[C@H](C(=O)NCCN2CCC3(CCCCC3)CC2)CC[N@@H+]1C ZINC000648891933 424923708 /nfs/dbraw/zinc/92/37/08/424923708.db2.gz DYVWLQVTNKAQDN-IAGOWNOFSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1[C@H](C(=O)NCCN2CCC3(CCCCC3)CC2)CC[N@H+]1C ZINC000648891933 424923711 /nfs/dbraw/zinc/92/37/11/424923711.db2.gz DYVWLQVTNKAQDN-IAGOWNOFSA-N 1 3 321.509 2.489 20 0 DEADHO O=C(CC[NH2+]C1CC1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000316013364 424898162 /nfs/dbraw/zinc/89/81/62/424898162.db2.gz DOBBBBPZSFKIGD-KRWDZBQOSA-N 1 3 301.434 2.082 20 0 DEADHO CN(CCN1CC[NH2+]CC1)Cc1ccc(Cl)c2cccnc12 ZINC000317325624 424900688 /nfs/dbraw/zinc/90/06/88/424900688.db2.gz OSWLIXAXLPQQTC-UHFFFAOYSA-N 1 3 318.852 2.225 20 0 DEADHO Nc1cc(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC000377314704 424901718 /nfs/dbraw/zinc/90/17/18/424901718.db2.gz FNOLVXMMOSLCSJ-RBUKOAKNSA-N 1 3 322.456 2.618 20 0 DEADHO Nc1cc(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC000377314704 424901720 /nfs/dbraw/zinc/90/17/20/424901720.db2.gz FNOLVXMMOSLCSJ-RBUKOAKNSA-N 1 3 322.456 2.618 20 0 DEADHO C[C@@H]1[C@H](C(=O)N(CCN(C)C)CC2CCCCC2)CC[N@@H+]1C ZINC000648746589 424901790 /nfs/dbraw/zinc/90/17/90/424901790.db2.gz HYGYIOIKOLTTNA-NVXWUHKLSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@@H]1[C@H](C(=O)N(CCN(C)C)CC2CCCCC2)CC[N@H+]1C ZINC000648746589 424901792 /nfs/dbraw/zinc/90/17/92/424901792.db2.gz HYGYIOIKOLTTNA-NVXWUHKLSA-N 1 3 309.498 2.297 20 0 DEADHO [NH3+]Cc1cccc(NC(=O)CC2(N3CCOCC3)CCCC2)c1 ZINC000649268439 424981366 /nfs/dbraw/zinc/98/13/66/424981366.db2.gz GMVCVGJZGUOCCT-UHFFFAOYSA-N 1 3 317.433 2.119 20 0 DEADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000422748554 424987643 /nfs/dbraw/zinc/98/76/43/424987643.db2.gz VAVKDTJMMHDWII-CNGORYIKSA-N 1 3 300.402 2.152 20 0 DEADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000649342931 424998411 /nfs/dbraw/zinc/99/84/11/424998411.db2.gz XQCJSJMFNNVGFN-PKOBYXMFSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000649363545 425000744 /nfs/dbraw/zinc/00/07/44/425000744.db2.gz FMQFKIKNQVFORG-YYIAUSFCSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1nn(C(C)C)cc1CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708272 425039558 /nfs/dbraw/zinc/03/95/58/425039558.db2.gz WVGIZSIQIZAAAP-CGTJXYLNSA-N 1 3 320.481 2.491 20 0 DEADHO CC(C)n1nccc1CN1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650723241 425042508 /nfs/dbraw/zinc/04/25/08/425042508.db2.gz JZKLSHAHFUSVCE-USXIJHARSA-N 1 3 306.454 2.325 20 0 DEADHO COc1cc(C)nc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650723736 425043060 /nfs/dbraw/zinc/04/30/60/425043060.db2.gz SNLPHHFPNAVUDV-ZTFGCOKTSA-N 1 3 319.449 2.259 20 0 DEADHO CC[C@H](OCCN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])c1ccccc1 ZINC000650741699 425046613 /nfs/dbraw/zinc/04/66/13/425046613.db2.gz JUWYARXUEHJRSE-DDBAPUKQSA-N 1 3 306.450 2.496 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)NCc1ccc(C[NH3+])cc1F ZINC000650755984 425049369 /nfs/dbraw/zinc/04/93/69/425049369.db2.gz RDKPCCCTNDOBOV-LLVKDONJSA-N 1 3 302.397 2.297 20 0 DEADHO C(c1nc2c(s1)CNCC2)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000663498829 425172886 /nfs/dbraw/zinc/17/28/86/425172886.db2.gz UGDXZJRZIONMAC-CQSZACIVSA-N 1 3 320.506 2.000 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000666760842 425176470 /nfs/dbraw/zinc/17/64/70/425176470.db2.gz OMYJDFIDKJXQJQ-ULQDDVLXSA-N 1 3 324.513 2.231 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000666760842 425176474 /nfs/dbraw/zinc/17/64/74/425176474.db2.gz OMYJDFIDKJXQJQ-ULQDDVLXSA-N 1 3 324.513 2.231 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000666760868 425177410 /nfs/dbraw/zinc/17/74/10/425177410.db2.gz PBYKSHJYLDBYMD-IAGOWNOFSA-N 1 3 324.513 2.279 20 0 DEADHO CN1CCC[C@@H](NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000653618908 425192731 /nfs/dbraw/zinc/19/27/31/425192731.db2.gz RGBJHWGDUTZOJL-WBVHZDCISA-N 1 3 316.449 2.451 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000660659713 425196377 /nfs/dbraw/zinc/19/63/77/425196377.db2.gz QDWBZXJNODACFM-JKSUJKDBSA-N 1 3 324.513 2.423 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000660659713 425196385 /nfs/dbraw/zinc/19/63/85/425196385.db2.gz QDWBZXJNODACFM-JKSUJKDBSA-N 1 3 324.513 2.423 20 0 DEADHO CCN(C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)[C@@H]1CCN(C)C1 ZINC000663626981 425199222 /nfs/dbraw/zinc/19/92/22/425199222.db2.gz ARYDWQAGQGBDCT-IAGOWNOFSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)N(C)C[C@@H](O)C[N@H+](C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000660555382 425157412 /nfs/dbraw/zinc/15/74/12/425157412.db2.gz YHDWWAQYFAKMFQ-JENIJYKNSA-N 1 3 322.493 2.174 20 0 DEADHO CC(C)N(C)C[C@@H](O)C[N@@H+](C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000660555382 425157417 /nfs/dbraw/zinc/15/74/17/425157417.db2.gz YHDWWAQYFAKMFQ-JENIJYKNSA-N 1 3 322.493 2.174 20 0 DEADHO COC[C@@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)C1CCOCC1 ZINC000663466916 425165099 /nfs/dbraw/zinc/16/50/99/425165099.db2.gz YHJSTINOIWGPGW-SJLPKXTDSA-N 1 3 310.482 2.140 20 0 DEADHO COC[C@@H](NC[C@H]1CCC[N@H+](CC2CC2)C1)C1CCOCC1 ZINC000663466916 425165103 /nfs/dbraw/zinc/16/51/03/425165103.db2.gz YHJSTINOIWGPGW-SJLPKXTDSA-N 1 3 310.482 2.140 20 0 DEADHO COC[C@@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)C1CCOCC1 ZINC000663466916 425165106 /nfs/dbraw/zinc/16/51/06/425165106.db2.gz YHJSTINOIWGPGW-SJLPKXTDSA-N 1 3 310.482 2.140 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+]CCC2(CO)CCC2)cc1 ZINC000652036019 425165327 /nfs/dbraw/zinc/16/53/27/425165327.db2.gz QMSZOFJXLGSAHO-UHFFFAOYSA-N 1 3 306.450 2.269 20 0 DEADHO CNC[C@](C)(O)C[NH+]1CCC2(CCc3ccccc3C2)CC1 ZINC000652344607 425243053 /nfs/dbraw/zinc/24/30/53/425243053.db2.gz QSAMKPHIAWVFHY-SFHVURJKSA-N 1 3 302.462 2.228 20 0 DEADHO C[NH2+]C[C@](C)(O)CN1CCC2(CCc3ccccc3C2)CC1 ZINC000652344607 425243058 /nfs/dbraw/zinc/24/30/58/425243058.db2.gz QSAMKPHIAWVFHY-SFHVURJKSA-N 1 3 302.462 2.228 20 0 DEADHO C[C@@H]1CCC[N@H+](CCC(=O)N2CCc3ccccc32)[C@@H]1CCN ZINC000652354304 425246804 /nfs/dbraw/zinc/24/68/04/425246804.db2.gz SWQSNRGNBCARSA-NVXWUHKLSA-N 1 3 315.461 2.415 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCC(=O)N2CCc3ccccc32)[C@@H]1CCN ZINC000652354304 425246807 /nfs/dbraw/zinc/24/68/07/425246807.db2.gz SWQSNRGNBCARSA-NVXWUHKLSA-N 1 3 315.461 2.415 20 0 DEADHO C[C@@H]1CCCN(CCC(=O)N2CCc3ccccc32)[C@@H]1CC[NH3+] ZINC000652354304 425246810 /nfs/dbraw/zinc/24/68/10/425246810.db2.gz SWQSNRGNBCARSA-NVXWUHKLSA-N 1 3 315.461 2.415 20 0 DEADHO CC[C@@H](C)N(CC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000663877097 425256928 /nfs/dbraw/zinc/25/69/28/425256928.db2.gz RBSCPVNWZBOVQM-OAHLLOKOSA-N 1 3 324.513 2.375 20 0 DEADHO C[C@H]([NH3+])c1ccc(CNC(=O)N(C)CCN2CCCCC2)cc1 ZINC000652210328 425213858 /nfs/dbraw/zinc/21/38/58/425213858.db2.gz PIVFCWVGNYBAPT-HNNXBMFYSA-N 1 3 318.465 2.334 20 0 DEADHO CC[N@H+](CCCNC(=O)N1C[C@@H](C)NC[C@@H]1C)C1CCCCC1 ZINC000652227915 425217390 /nfs/dbraw/zinc/21/73/90/425217390.db2.gz RDSWASWKWDZQAB-CVEARBPZSA-N 1 3 324.513 2.423 20 0 DEADHO CC[N@@H+](CCCNC(=O)N1C[C@@H](C)NC[C@@H]1C)C1CCCCC1 ZINC000652227915 425217394 /nfs/dbraw/zinc/21/73/94/425217394.db2.gz RDSWASWKWDZQAB-CVEARBPZSA-N 1 3 324.513 2.423 20 0 DEADHO COCc1csc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000657364275 425318058 /nfs/dbraw/zinc/31/80/58/425318058.db2.gz KHYQXWYDKSMEMU-AWEZNQCLSA-N 1 3 324.490 2.485 20 0 DEADHO C[C@@H](CNCc1ccnn1-c1ccncc1)[N@@H+]1CCC[C@H](C)C1 ZINC000657310906 425299337 /nfs/dbraw/zinc/29/93/37/425299337.db2.gz RNQRYKCXCCFKJS-HOTGVXAUSA-N 1 3 313.449 2.477 20 0 DEADHO C[C@@H](CNCc1ccnn1-c1ccncc1)[N@H+]1CCC[C@H](C)C1 ZINC000657310906 425299341 /nfs/dbraw/zinc/29/93/41/425299341.db2.gz RNQRYKCXCCFKJS-HOTGVXAUSA-N 1 3 313.449 2.477 20 0 DEADHO C[C@@H](C[NH2+]Cc1ccnn1-c1ccncc1)N1CCC[C@H](C)C1 ZINC000657310906 425299345 /nfs/dbraw/zinc/29/93/45/425299345.db2.gz RNQRYKCXCCFKJS-HOTGVXAUSA-N 1 3 313.449 2.477 20 0 DEADHO Cn1ncc(C(F)(F)F)c1CNCCC1CC[NH+](C)CC1 ZINC000657348094 425312026 /nfs/dbraw/zinc/31/20/26/425312026.db2.gz KDRCKPNCDICLQM-UHFFFAOYSA-N 1 3 304.360 2.260 20 0 DEADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654422850 425349757 /nfs/dbraw/zinc/34/97/57/425349757.db2.gz RFDJADPPKXAGCI-HRCADAONSA-N 1 3 310.486 2.033 20 0 DEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654422850 425349762 /nfs/dbraw/zinc/34/97/62/425349762.db2.gz RFDJADPPKXAGCI-HRCADAONSA-N 1 3 310.486 2.033 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000654582972 425388206 /nfs/dbraw/zinc/38/82/06/425388206.db2.gz CBDMRTQSJJIETP-MQVJKMGUSA-N 1 3 322.497 2.127 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000654582972 425388207 /nfs/dbraw/zinc/38/82/07/425388207.db2.gz CBDMRTQSJJIETP-MQVJKMGUSA-N 1 3 322.497 2.127 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1(C2CC2)CCC1 ZINC000664510536 425400276 /nfs/dbraw/zinc/40/02/76/425400276.db2.gz DAVOOFDEROMJGK-HNNXBMFYSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1(C2CC2)CCC1 ZINC000664510536 425400280 /nfs/dbraw/zinc/40/02/80/425400280.db2.gz DAVOOFDEROMJGK-HNNXBMFYSA-N 1 3 324.513 2.138 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000654481831 425365551 /nfs/dbraw/zinc/36/55/51/425365551.db2.gz PLGFNTDXQLEXLB-CABCVRRESA-N 1 3 322.497 2.127 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000654481831 425365554 /nfs/dbraw/zinc/36/55/54/425365554.db2.gz PLGFNTDXQLEXLB-CABCVRRESA-N 1 3 322.497 2.127 20 0 DEADHO C[NH+](C)CCCC(C)(C)NC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654738998 425430077 /nfs/dbraw/zinc/43/00/77/425430077.db2.gz WELMCCOVUFJYBI-HOTGVXAUSA-N 1 3 324.513 2.423 20 0 DEADHO CCCN1CCC([NH2+]Cc2ccc(CNC(C)=O)cc2)CC1 ZINC000658072827 425434318 /nfs/dbraw/zinc/43/43/18/425434318.db2.gz KNMWXHMCBNAQAH-UHFFFAOYSA-N 1 3 303.450 2.287 20 0 DEADHO CC(C)(C)N1CC[C@@H]([NH2+]C2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000658095725 425437728 /nfs/dbraw/zinc/43/77/28/425437728.db2.gz KPDSQFFALXCOCH-IAGOWNOFSA-N 1 3 309.498 2.092 20 0 DEADHO C[C@@H](C(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+])[C@H](N)c1ccccc1 ZINC000653233183 425439742 /nfs/dbraw/zinc/43/97/42/425439742.db2.gz RSGBJXHJGLNIJB-JHNDHUHGSA-N 1 3 303.450 2.298 20 0 DEADHO CC(C)n1cc([C@H](C)N[C@@H](C)CN(C)CCC[NH+](C)C)cn1 ZINC000658110443 425441150 /nfs/dbraw/zinc/44/11/50/425441150.db2.gz XKDUUWLBEVENKV-HOTGVXAUSA-N 1 3 309.502 2.387 20 0 DEADHO C[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)[C@@H]1CC[NH3+] ZINC000653240597 425441949 /nfs/dbraw/zinc/44/19/49/425441949.db2.gz PPASTYUYVKDHCX-RHSMWYFYSA-N 1 3 303.450 2.338 20 0 DEADHO CC[C@H]([NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)[C@@H]1CCOC1 ZINC000658140308 425444170 /nfs/dbraw/zinc/44/41/70/425444170.db2.gz PSIYLPGAFGYOBY-QYZOEREBSA-N 1 3 318.461 2.158 20 0 DEADHO O[C@@H]1CCN(Cc2ccc(C[NH2+]C3CC(CF)(CF)C3)cc2)C1 ZINC000658138925 425444309 /nfs/dbraw/zinc/44/43/09/425444309.db2.gz OXAQCDMZXZMYQA-QGZVFWFLSA-N 1 3 324.415 2.431 20 0 DEADHO C[C@H]([NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)[C@H]1CCCOC1 ZINC000658137662 425444396 /nfs/dbraw/zinc/44/43/96/425444396.db2.gz LEXAEIUYKTYMTF-SNRMKQJTSA-N 1 3 318.461 2.158 20 0 DEADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@H]1CCCO1 ZINC000658165347 425450388 /nfs/dbraw/zinc/45/03/88/425450388.db2.gz IRSGIPDBAMPCLR-CRAIPNDOSA-N 1 3 303.450 2.451 20 0 DEADHO CN(C/C=C/C[N@H+](C)CC1=CCCOC1)CC1=CCCOC1 ZINC000661652242 425471092 /nfs/dbraw/zinc/47/10/92/425471092.db2.gz KSEUGUIIIZMESW-ONEGZZNKSA-N 1 3 306.450 2.100 20 0 DEADHO CN(C/C=C/C[N@@H+](C)CC1=CCCOC1)CC1=CCCOC1 ZINC000661652242 425471095 /nfs/dbraw/zinc/47/10/95/425471095.db2.gz KSEUGUIIIZMESW-ONEGZZNKSA-N 1 3 306.450 2.100 20 0 DEADHO CCCN1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000661858778 425515162 /nfs/dbraw/zinc/51/51/62/425515162.db2.gz VPGKUBVPLYMFTJ-JKSUJKDBSA-N 1 3 322.497 2.177 20 0 DEADHO CCCN1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000661858778 425515163 /nfs/dbraw/zinc/51/51/63/425515163.db2.gz VPGKUBVPLYMFTJ-JKSUJKDBSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CC1(N)CCCC1 ZINC000665249049 425528578 /nfs/dbraw/zinc/52/85/78/425528578.db2.gz IIZKYODDTXEOHO-NVXWUHKLSA-N 1 3 302.466 2.153 20 0 DEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NCC1([NH3+])CCCC1 ZINC000665249049 425528580 /nfs/dbraw/zinc/52/85/80/425528580.db2.gz IIZKYODDTXEOHO-NVXWUHKLSA-N 1 3 302.466 2.153 20 0 DEADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H](C)[C@H]2CCOC2)cc1F ZINC000665259782 425531940 /nfs/dbraw/zinc/53/19/40/425531940.db2.gz PWHLNVFPUWHKJN-QEWYBTABSA-N 1 3 322.424 2.294 20 0 DEADHO Cc1cncc(CCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000665274265 425534561 /nfs/dbraw/zinc/53/45/61/425534561.db2.gz MNMAHZHZJCTNMC-MJGOQNOKSA-N 1 3 324.428 2.173 20 0 DEADHO CCc1ccc([C@@H](C)NC2CCN(C(=O)CCC[NH2+]C)CC2)o1 ZINC000665287973 425536474 /nfs/dbraw/zinc/53/64/74/425536474.db2.gz ZRHIVJNGMMDCGM-CQSZACIVSA-N 1 3 321.465 2.483 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000655348976 425540570 /nfs/dbraw/zinc/54/05/70/425540570.db2.gz DGQOYRONPFFQNG-ROUUACIJSA-N 1 3 315.461 2.495 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000655348976 425540572 /nfs/dbraw/zinc/54/05/72/425540572.db2.gz DGQOYRONPFFQNG-ROUUACIJSA-N 1 3 315.461 2.495 20 0 DEADHO C[NH+](C)CCC1CCN(C(=O)NC[C@@H]2CCN2C(C)(C)C)CC1 ZINC000665367243 425555213 /nfs/dbraw/zinc/55/52/13/425555213.db2.gz SUTGGVPCZDEDIB-INIZCTEOSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](C)CC1 ZINC000665640054 425610597 /nfs/dbraw/zinc/61/05/97/425610597.db2.gz MNWRHIZSXXJXEU-HOTGVXAUSA-N 1 3 312.502 2.090 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](C)CC1 ZINC000665640054 425610600 /nfs/dbraw/zinc/61/06/00/425610600.db2.gz MNWRHIZSXXJXEU-HOTGVXAUSA-N 1 3 312.502 2.090 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)N(C)C)cc1 ZINC000655445036 425568754 /nfs/dbraw/zinc/56/87/54/425568754.db2.gz GRWHGMADNQCOLU-AOIWGVFYSA-N 1 3 315.461 2.104 20 0 DEADHO C[C@H](CNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2)N(C)Cc1ccccc1 ZINC000655447890 425570458 /nfs/dbraw/zinc/57/04/58/425570458.db2.gz IONPQHWBSQLZHT-SZVBFZGTSA-N 1 3 315.461 2.013 20 0 DEADHO CN(CCC[NH+]1CCC(N2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000662147409 425575548 /nfs/dbraw/zinc/57/55/48/425575548.db2.gz FVZJDHFMMQELRU-LJQANCHMSA-N 1 3 317.477 2.044 20 0 DEADHO O[C@H]1CCN(C2CC[NH+](CCCc3cccc(F)c3)CC2)C1 ZINC000662153737 425577920 /nfs/dbraw/zinc/57/79/20/425577920.db2.gz UCMUIHDKPMREAF-SFHVURJKSA-N 1 3 306.425 2.289 20 0 DEADHO C[C@@H]1C[C@H](C)N(C(=O)C[C@H]2NCc3ccccc32)C[C@@H]1C[NH3+] ZINC000659326842 425578310 /nfs/dbraw/zinc/57/83/10/425578310.db2.gz ZCSCWPAJESSPBR-RPCCPQHDSA-N 1 3 301.434 2.053 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000655494880 425580885 /nfs/dbraw/zinc/58/08/85/425580885.db2.gz PZXBBGMZUUEPPQ-RYTJFDOTSA-N 1 3 321.509 2.473 20 0 DEADHO O=C(C[N@H+](CCC1CC1)CC1CC1)NC1CCN(C2CC2)CC1 ZINC000662179229 425583575 /nfs/dbraw/zinc/58/35/75/425583575.db2.gz MQLNYGMXSCQAIA-UHFFFAOYSA-N 1 3 319.493 2.242 20 0 DEADHO O=C(C[N@@H+](CCC1CC1)CC1CC1)NC1CCN(C2CC2)CC1 ZINC000662179229 425583580 /nfs/dbraw/zinc/58/35/80/425583580.db2.gz MQLNYGMXSCQAIA-UHFFFAOYSA-N 1 3 319.493 2.242 20 0 DEADHO CC(C)CN(CCN(C)C)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665557506 425596703 /nfs/dbraw/zinc/59/67/03/425596703.db2.gz XBXFAEGTFUBTQI-HNNXBMFYSA-N 1 3 312.502 2.088 20 0 DEADHO CC(C)CN(CCN(C)C)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665557506 425596705 /nfs/dbraw/zinc/59/67/05/425596705.db2.gz XBXFAEGTFUBTQI-HNNXBMFYSA-N 1 3 312.502 2.088 20 0 DEADHO CN(Cc1ccc(OC(F)F)cc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250074 425601066 /nfs/dbraw/zinc/60/10/66/425601066.db2.gz XISSNTMTBNPUFS-AWEZNQCLSA-N 1 3 312.360 2.241 20 0 DEADHO C[NH+](C)C1(CNC(=O)c2cc3c(s2)CCNC3)CCCCC1 ZINC000662442539 425651015 /nfs/dbraw/zinc/65/10/15/425651015.db2.gz OWVVZTQOFCEXHS-UHFFFAOYSA-N 1 3 321.490 2.388 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc2c(s1)CCNC2 ZINC000662458450 425655400 /nfs/dbraw/zinc/65/54/00/425655400.db2.gz MDMBBYLCAUZZKJ-CQSZACIVSA-N 1 3 321.490 2.388 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc2c(s1)CCNC2 ZINC000662458450 425655404 /nfs/dbraw/zinc/65/54/04/425655404.db2.gz MDMBBYLCAUZZKJ-CQSZACIVSA-N 1 3 321.490 2.388 20 0 DEADHO O=C(c1cccc2c1CNC2)N1CCC(C[NH+]2CCCC2)CC1 ZINC000662474086 425660078 /nfs/dbraw/zinc/66/00/78/425660078.db2.gz SYIBGMQBEPPHSC-UHFFFAOYSA-N 1 3 313.445 2.238 20 0 DEADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cccc3c2CNC3)C1 ZINC000662486797 425663578 /nfs/dbraw/zinc/66/35/78/425663578.db2.gz RGVLLDIYKTUZAW-OAHLLOKOSA-N 1 3 313.445 2.094 20 0 DEADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cccc3c2CNC3)C1 ZINC000662486797 425663581 /nfs/dbraw/zinc/66/35/81/425663581.db2.gz RGVLLDIYKTUZAW-OAHLLOKOSA-N 1 3 313.445 2.094 20 0 DEADHO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cccc2c1CNC2 ZINC000662490279 425664330 /nfs/dbraw/zinc/66/43/30/425664330.db2.gz BJUISYJNGPYRPI-UHFFFAOYSA-N 1 3 313.445 2.427 20 0 DEADHO COc1cc(OC)c(OC)cc1CNC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655826418 425665949 /nfs/dbraw/zinc/66/59/49/425665949.db2.gz VEOIWJIZXXBDMY-XBXGTLAGSA-N 1 3 308.422 2.142 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000662525703 425674577 /nfs/dbraw/zinc/67/45/77/425674577.db2.gz WWHQIFWDDAHIOL-SFHVURJKSA-N 1 3 315.461 2.458 20 0 DEADHO CC[C@@H]1CCCCN1C(=O)CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290598 425613807 /nfs/dbraw/zinc/61/38/07/425613807.db2.gz YHIPYSYKSZGVNC-ZWKOTPCHSA-N 1 3 321.509 2.489 20 0 DEADHO CCC(C)(C)NC(=O)[C@H](C)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290843 425613899 /nfs/dbraw/zinc/61/38/99/425613899.db2.gz LUYWBGUCQCFWJI-GOEBONIOSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H](C(=O)NC1CCCC1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295743 425616587 /nfs/dbraw/zinc/61/65/87/425616587.db2.gz SCGPPIKAEMWTHQ-GDBMZVCRSA-N 1 3 307.482 2.145 20 0 DEADHO c1c(N2CCNCC2)n[nH]c1[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC000662337081 425627453 /nfs/dbraw/zinc/62/74/53/425627453.db2.gz JIZOWDHMTRQFDK-MRXNPFEDSA-N 1 3 317.481 2.189 20 0 DEADHO c1c(N2CCNCC2)n[nH]c1[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC000662337081 425627456 /nfs/dbraw/zinc/62/74/56/425627456.db2.gz JIZOWDHMTRQFDK-MRXNPFEDSA-N 1 3 317.481 2.189 20 0 DEADHO CC(C)[NH+](CCNC(=O)C[C@H]1NCc2ccccc21)C(C)C ZINC000662344268 425628861 /nfs/dbraw/zinc/62/88/61/425628861.db2.gz PCNHJQJDEJWLPO-QGZVFWFLSA-N 1 3 303.450 2.456 20 0 DEADHO C[C@@H](C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)CN1CCCCC1 ZINC000655696674 425631752 /nfs/dbraw/zinc/63/17/52/425631752.db2.gz IUFYJOINRANPIV-HKUYNNGSSA-N 1 3 323.525 2.341 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662360300 425632693 /nfs/dbraw/zinc/63/26/93/425632693.db2.gz HAEHUSULRVSNIC-IAGOWNOFSA-N 1 3 315.461 2.279 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1CC[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000655710494 425634232 /nfs/dbraw/zinc/63/42/32/425634232.db2.gz CEHQYXOVKMLLBN-JZXOWHBKSA-N 1 3 309.498 2.092 20 0 DEADHO CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000659623082 425638847 /nfs/dbraw/zinc/63/88/47/425638847.db2.gz AMPJSUPFGACPKA-JKSUJKDBSA-N 1 3 310.486 2.020 20 0 DEADHO C[C@H](CNC(=O)C[C@H]1NCc2ccccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000662386464 425639108 /nfs/dbraw/zinc/63/91/08/425639108.db2.gz AJWROSBWDWWUMH-IIDMSEBBSA-N 1 3 315.461 2.458 20 0 DEADHO C[C@H](CNC(=O)C[C@H]1NCc2ccccc21)[N@H+]1CCC[C@@H](C)C1 ZINC000662386464 425639112 /nfs/dbraw/zinc/63/91/12/425639112.db2.gz AJWROSBWDWWUMH-IIDMSEBBSA-N 1 3 315.461 2.458 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](C2CC2)C1 ZINC000665762664 425640118 /nfs/dbraw/zinc/64/01/18/425640118.db2.gz LZTGIJPSJZJRBV-RDJZCZTQSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](C2CC2)C1 ZINC000665762664 425640120 /nfs/dbraw/zinc/64/01/20/425640120.db2.gz LZTGIJPSJZJRBV-RDJZCZTQSA-N 1 3 324.513 2.090 20 0 DEADHO [NH3+]CCCN(Cc1ccccc1)C(=O)c1cccc2c1CNC2 ZINC000662558906 425681106 /nfs/dbraw/zinc/68/11/06/425681106.db2.gz LXEXDLIDYCYPGJ-UHFFFAOYSA-N 1 3 309.413 2.281 20 0 DEADHO C[C@H]1CC2(CN1C(=O)C[C@H]1NCc3ccccc31)CC[NH2+]CC2 ZINC000662579903 425684969 /nfs/dbraw/zinc/68/49/69/425684969.db2.gz JRCCKUTUAVMROA-WMLDXEAASA-N 1 3 313.445 2.212 20 0 DEADHO O=C(c1cccc2c1CNC2)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662586240 425686318 /nfs/dbraw/zinc/68/63/18/425686318.db2.gz HGSFBTUWLIDPRM-OAHLLOKOSA-N 1 3 313.445 2.142 20 0 DEADHO N[C@H](CC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccccc1 ZINC000662593530 425689111 /nfs/dbraw/zinc/68/91/11/425689111.db2.gz LRVPTUVVEJZDLX-QZTJIDSGSA-N 1 3 315.461 2.315 20 0 DEADHO N[C@@H](CC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccccc1 ZINC000662593525 425689313 /nfs/dbraw/zinc/68/93/13/425689313.db2.gz LRVPTUVVEJZDLX-MSOLQXFVSA-N 1 3 315.461 2.315 20 0 DEADHO COc1ccc(C(C)C)cc1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000655940399 425691581 /nfs/dbraw/zinc/69/15/81/425691581.db2.gz AFOFEWZPXAIPLB-GOSISDBHSA-N 1 3 317.477 2.298 20 0 DEADHO COc1ccccc1[C@@H]1CC[N@H+](C[C@@H](O)CN(C)C(C)C)C1 ZINC000659943645 425695527 /nfs/dbraw/zinc/69/55/27/425695527.db2.gz DPCNLRGKTKARTI-CVEARBPZSA-N 1 3 306.450 2.186 20 0 DEADHO COc1ccccc1[C@@H]1CC[N@@H+](C[C@@H](O)CN(C)C(C)C)C1 ZINC000659943645 425695528 /nfs/dbraw/zinc/69/55/28/425695528.db2.gz DPCNLRGKTKARTI-CVEARBPZSA-N 1 3 306.450 2.186 20 0 DEADHO [NH3+][C@H]1C[C@H](C(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000662668992 425707857 /nfs/dbraw/zinc/70/78/57/425707857.db2.gz LZMCRQZNWWTMOG-QAQDUYKDSA-N 1 3 301.434 2.026 20 0 DEADHO CC(C)C[C@H](C[NH3+])CC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000662684028 425711940 /nfs/dbraw/zinc/71/19/40/425711940.db2.gz ACNSJDWZKRUNJT-WMLDXEAASA-N 1 3 319.449 2.297 20 0 DEADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1CNCc2ccccc21 ZINC000662695272 425713901 /nfs/dbraw/zinc/71/39/01/425713901.db2.gz YTJHTUGEQPMACP-MAUKXSAKSA-N 1 3 315.461 2.110 20 0 DEADHO CCN(C(=O)[C@H]1C[C@H]([NH3+])C1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000662693863 425714664 /nfs/dbraw/zinc/71/46/64/425714664.db2.gz MJOOKWVSDNVSCE-DKIMLUQUSA-N 1 3 315.461 2.408 20 0 DEADHO CCN(C(=O)[C@H]1C[C@H]([NH3+])C1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000662693864 425714902 /nfs/dbraw/zinc/71/49/02/425714902.db2.gz MJOOKWVSDNVSCE-LEUOFYLZSA-N 1 3 315.461 2.408 20 0 DEADHO CC(C)[C@H]([NH3+])CCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000662726846 425722655 /nfs/dbraw/zinc/72/26/55/425722655.db2.gz NPKDEUZDHLMNKO-GOSISDBHSA-N 1 3 317.477 2.388 20 0 DEADHO C[C@@H]1C[C@@H](N(C)C(=O)CC2([NH3+])CC2)CCN1Cc1ccccc1 ZINC000662727386 425723200 /nfs/dbraw/zinc/72/32/00/425723200.db2.gz WOCCNBABIKJGOI-WBVHZDCISA-N 1 3 315.461 2.379 20 0 DEADHO C[NH+](C)CC[C@@H](NC(=O)c1cc2c(s1)CCNC2)C(C)(C)C ZINC000662732623 425724200 /nfs/dbraw/zinc/72/42/00/425724200.db2.gz FOPSWZZKYXXGTH-OAHLLOKOSA-N 1 3 323.506 2.490 20 0 DEADHO N[C@H]1CCC[C@H]([NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)C1 ZINC000656199046 425729195 /nfs/dbraw/zinc/72/91/95/425729195.db2.gz CXXPGKFEMSKNEN-JSGCOSHPSA-N 1 3 324.856 2.132 20 0 DEADHO COc1cc(OC)cc(OCCC[NH2+][C@@H]2CCC[C@@H](N)C2)c1 ZINC000656197905 425729279 /nfs/dbraw/zinc/72/92/79/425729279.db2.gz OYMLFFDAVCDOPN-ZIAGYGMSSA-N 1 3 308.422 2.332 20 0 DEADHO COc1cc(OC)cc(OCCCN[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000656197905 425729281 /nfs/dbraw/zinc/72/92/81/425729281.db2.gz OYMLFFDAVCDOPN-ZIAGYGMSSA-N 1 3 308.422 2.332 20 0 DEADHO C[C@H](CNC(=O)NC[C@@H]1CCN1C(C)(C)C)[N@@H+]1CCCC[C@H]1C ZINC000660341912 425798664 /nfs/dbraw/zinc/79/86/64/425798664.db2.gz HFJJWIRGWHLPGH-OAGGEKHMSA-N 1 3 324.513 2.421 20 0 DEADHO C[C@H](CNC(=O)NC[C@@H]1CCN1C(C)(C)C)[N@H+]1CCCC[C@H]1C ZINC000660341912 425798667 /nfs/dbraw/zinc/79/86/67/425798667.db2.gz HFJJWIRGWHLPGH-OAGGEKHMSA-N 1 3 324.513 2.421 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCN2C(C)(C)C)CC1 ZINC000660380022 425803857 /nfs/dbraw/zinc/80/38/57/425803857.db2.gz XRFXSGMIGAHNAI-MRXNPFEDSA-N 1 3 324.513 2.279 20 0 DEADHO CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)CN ZINC000662870417 425751775 /nfs/dbraw/zinc/75/17/75/425751775.db2.gz HGKPOZSVXWDSGP-UHFFFAOYSA-N 1 3 311.857 2.359 20 0 DEADHO C[C@@H]1CCCN(C(=O)[C@@H]2CNCc3ccccc32)[C@@H]1CCC[NH3+] ZINC000662892905 425759122 /nfs/dbraw/zinc/75/91/22/425759122.db2.gz PCEODYWXWDTTTK-ZTFGCOKTSA-N 1 3 315.461 2.239 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCC[C@H](CO)C2)cc1 ZINC000666480215 425761500 /nfs/dbraw/zinc/76/15/00/425761500.db2.gz QHIHCRLHHLHHAV-DLBZAZTESA-N 1 3 306.450 2.268 20 0 DEADHO C[C@H]1C[C@H](C)C[NH+](CCN2CCN(C3CCOCC3)C[C@@H]2C)C1 ZINC000660434588 425813431 /nfs/dbraw/zinc/81/34/31/425813431.db2.gz CCNSMXIPOCHQOB-BZSNNMDCSA-N 1 3 323.525 2.149 20 0 DEADHO CCN(C(=O)NCC[NH+](C(C)C)C(C)C)[C@H]1CCN(CC)C1 ZINC000663418977 425837730 /nfs/dbraw/zinc/83/77/30/425837730.db2.gz APQDSDDSJJFJEG-INIZCTEOSA-N 1 3 312.502 2.231 20 0 DEADHO C[C@H](CNC(=O)CC[C@H]1CCC[NH2+]1)N(C)Cc1ccccc1 ZINC000390718038 269097709 /nfs/dbraw/zinc/09/77/09/269097709.db2.gz LTSDRKUEKJAOJM-NVXWUHKLSA-N 1 3 303.450 2.155 20 0 DEADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)C1CCC1 ZINC000399021993 269110414 /nfs/dbraw/zinc/11/04/14/269110414.db2.gz IFOSJTDLJFABFG-WMZOPIPTSA-N 1 3 315.461 2.094 20 0 DEADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)C1CCC1 ZINC000399021993 269110416 /nfs/dbraw/zinc/11/04/16/269110416.db2.gz IFOSJTDLJFABFG-WMZOPIPTSA-N 1 3 315.461 2.094 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)[C@H](N)C1CCC1)c1ccccc1 ZINC000399077619 269110685 /nfs/dbraw/zinc/11/06/85/269110685.db2.gz QJSGNSDTNMHPPB-DLBZAZTESA-N 1 3 303.450 2.313 20 0 DEADHO CC(C)(C)OC(=O)N1CCC2(CCN(CCC[NH3+])CC2)CC1 ZINC000496323561 269211714 /nfs/dbraw/zinc/21/17/14/269211714.db2.gz KFGYYGKZDKTZDQ-UHFFFAOYSA-N 1 3 311.470 2.448 20 0 DEADHO C[C@@H](CN)C[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496539315 269227896 /nfs/dbraw/zinc/22/78/96/269227896.db2.gz KLDRBXHNNWREQG-LSDHHAIUSA-N 1 3 305.422 2.224 20 0 DEADHO CCN1CC[C@H](C[NH2+]C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)C1 ZINC000496707495 269243296 /nfs/dbraw/zinc/24/32/96/269243296.db2.gz HEOIUJVLLYDVAY-VKJFTORMSA-N 1 3 323.481 2.175 20 0 DEADHO C[C@@H]1C[C@H](NCCN2CCCC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000515065073 269342419 /nfs/dbraw/zinc/34/24/19/269342419.db2.gz NYWKDPPREGNIDT-SJLPKXTDSA-N 1 3 315.461 2.252 20 0 DEADHO C[C@@H]1C[C@H](NCCN2CCCC2=O)CC[N@H+]1Cc1ccccc1 ZINC000515065073 269342420 /nfs/dbraw/zinc/34/24/20/269342420.db2.gz NYWKDPPREGNIDT-SJLPKXTDSA-N 1 3 315.461 2.252 20 0 DEADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2F)C1 ZINC000516761530 269368915 /nfs/dbraw/zinc/36/89/15/269368915.db2.gz IALXOJJINMYHEH-JKSUJKDBSA-N 1 3 324.440 2.275 20 0 DEADHO COc1ccc2c(c1)C[C@H](NC[C@H]1CC[N@@H+](C3CC3)C1)CO2 ZINC000296060767 274127549 /nfs/dbraw/zinc/12/75/49/274127549.db2.gz RPAVBEUIOCBUST-HIFRSBDPSA-N 1 3 302.418 2.073 20 0 DEADHO COc1ccc2c(c1)C[C@H](NC[C@H]1CC[N@H+](C3CC3)C1)CO2 ZINC000296060767 274127550 /nfs/dbraw/zinc/12/75/50/274127550.db2.gz RPAVBEUIOCBUST-HIFRSBDPSA-N 1 3 302.418 2.073 20 0 DEADHO COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)CO2 ZINC000297598688 274128330 /nfs/dbraw/zinc/12/83/30/274128330.db2.gz HYIZZFCMUHCQHU-HRCADAONSA-N 1 3 304.434 2.461 20 0 DEADHO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2C[C@@H](C)NC[C@@H]2C)cc1 ZINC000418353920 276056502 /nfs/dbraw/zinc/05/65/02/276056502.db2.gz NZHBWTCLXKQVQV-KEYYUXOJSA-N 1 3 318.465 2.202 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)C1 ZINC000247379599 276306311 /nfs/dbraw/zinc/30/63/11/276306311.db2.gz UCRKIKMXZXYFGY-IKGGRYGDSA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)C1 ZINC000247379599 276306312 /nfs/dbraw/zinc/30/63/12/276306312.db2.gz UCRKIKMXZXYFGY-IKGGRYGDSA-N 1 3 324.513 2.090 20 0 DEADHO CCN(CCNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)C1CC1 ZINC000101972172 276346781 /nfs/dbraw/zinc/34/67/81/276346781.db2.gz JXGABKYZWOHQOG-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO CCN(CCNC(=O)NCCC[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000101972172 276346784 /nfs/dbraw/zinc/34/67/84/276346784.db2.gz JXGABKYZWOHQOG-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO C[N@@H+]1CCC[C@@H](N2CCN(c3ccnc4ccccc43)CC2)C1 ZINC000363586082 277053568 /nfs/dbraw/zinc/05/35/68/277053568.db2.gz KWVZTRBGXLXPRX-MRXNPFEDSA-N 1 3 310.445 2.451 20 0 DEADHO C[N@H+]1CCC[C@@H](N2CCN(c3ccnc4ccccc43)CC2)C1 ZINC000363586082 277053569 /nfs/dbraw/zinc/05/35/69/277053569.db2.gz KWVZTRBGXLXPRX-MRXNPFEDSA-N 1 3 310.445 2.451 20 0 DEADHO C[N@@H+]1CCC[C@H](N2CCN(c3ccnc4ccccc43)CC2)C1 ZINC000363586081 277074246 /nfs/dbraw/zinc/07/42/46/277074246.db2.gz KWVZTRBGXLXPRX-INIZCTEOSA-N 1 3 310.445 2.451 20 0 DEADHO C[N@H+]1CCC[C@H](N2CCN(c3ccnc4ccccc43)CC2)C1 ZINC000363586081 277074247 /nfs/dbraw/zinc/07/42/47/277074247.db2.gz KWVZTRBGXLXPRX-INIZCTEOSA-N 1 3 310.445 2.451 20 0 DEADHO CC(C)(C)[NH+]1CCC(NC(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000171046950 278340664 /nfs/dbraw/zinc/34/06/64/278340664.db2.gz PZYIYANRERBAJF-INIZCTEOSA-N 1 3 322.497 2.129 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000294869002 278843751 /nfs/dbraw/zinc/84/37/51/278843751.db2.gz WNQMRUSKCKEIDN-NVXWUHKLSA-N 1 3 303.450 2.328 20 0 DEADHO CCN(Cc1ccc(C(=O)N2CCC[C@@H]([NH2+]C)C2)cc1)C1CC1 ZINC000134070597 279234681 /nfs/dbraw/zinc/23/46/81/279234681.db2.gz UJGGCTRLFOWAJN-QGZVFWFLSA-N 1 3 315.461 2.495 20 0 DEADHO CCN1CCC(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000416860291 279260274 /nfs/dbraw/zinc/26/02/74/279260274.db2.gz VPFHYRCODAXECO-NVXWUHKLSA-N 1 3 322.497 2.034 20 0 DEADHO CCN1CCC(NC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000105084324 279260588 /nfs/dbraw/zinc/26/05/88/279260588.db2.gz OAZHAWRZYRYCQB-KRWDZBQOSA-N 1 3 322.497 2.131 20 0 DEADHO CCN1CCC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000361411952 279261543 /nfs/dbraw/zinc/26/15/43/279261543.db2.gz DFAMFMUAFKEAMY-OAHLLOKOSA-N 1 3 307.482 2.242 20 0 DEADHO CCN1CCC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000361411952 279261547 /nfs/dbraw/zinc/26/15/47/279261547.db2.gz DFAMFMUAFKEAMY-OAHLLOKOSA-N 1 3 307.482 2.242 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000340956933 279311110 /nfs/dbraw/zinc/31/11/10/279311110.db2.gz OGTAVHABWRUJQQ-YESZJQIVSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C[C@H](C)O1 ZINC000181616271 288161559 /nfs/dbraw/zinc/16/15/59/288161559.db2.gz WJNAAGUFLFJPPL-RZFLPCETSA-N 1 3 322.493 2.423 20 0 DEADHO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCN(CC2CCCCC2)CC1 ZINC000237932365 280078660 /nfs/dbraw/zinc/07/86/60/280078660.db2.gz ULBSDOPERGJUAL-KRWDZBQOSA-N 1 3 319.493 2.101 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000343872804 288216766 /nfs/dbraw/zinc/21/67/66/288216766.db2.gz MOOBMWNTWRVADI-AEFFLSMTSA-N 1 3 315.461 2.109 20 0 DEADHO CC(C)[C@H](CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])Nc1ccccc1 ZINC000422974379 280254994 /nfs/dbraw/zinc/25/49/94/280254994.db2.gz DUMNQHJDNNYNSB-HPBDAGMYSA-N 1 3 305.466 2.465 20 0 DEADHO CC(C)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N)Nc1ccccc1 ZINC000422974379 280254998 /nfs/dbraw/zinc/25/49/98/280254998.db2.gz DUMNQHJDNNYNSB-HPBDAGMYSA-N 1 3 305.466 2.465 20 0 DEADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000416804020 280279481 /nfs/dbraw/zinc/27/94/81/280279481.db2.gz JRMRZMYMIWBTFQ-IAGOWNOFSA-N 1 3 320.481 2.304 20 0 DEADHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@H]2NCCCC2(C)C)CC1 ZINC000424039434 281281120 /nfs/dbraw/zinc/28/11/20/281281120.db2.gz JUYOEPLYSZYCTA-HUUCEWRRSA-N 1 3 307.482 2.001 20 0 DEADHO CC[C@H]1c2ccsc2CC[N@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414701010 288382048 /nfs/dbraw/zinc/38/20/48/288382048.db2.gz JZCXKBYRVPHFEX-ZFWWWQNUSA-N 1 3 321.490 2.255 20 0 DEADHO CC[C@H]1c2ccsc2CC[N@@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414701010 288382050 /nfs/dbraw/zinc/38/20/50/288382050.db2.gz JZCXKBYRVPHFEX-ZFWWWQNUSA-N 1 3 321.490 2.255 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCCN(C)C1 ZINC000133892077 282028762 /nfs/dbraw/zinc/02/87/62/282028762.db2.gz OAKQRJGZTWJHGI-DLBZAZTESA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCCN(C)C1 ZINC000133892077 282028766 /nfs/dbraw/zinc/02/87/66/282028766.db2.gz OAKQRJGZTWJHGI-DLBZAZTESA-N 1 3 324.513 2.138 20 0 DEADHO C[NH+](C)C/C=C/C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000265594860 289038763 /nfs/dbraw/zinc/03/87/63/289038763.db2.gz BIPRNENSOPFLRS-VGMNTSGFSA-N 1 3 301.434 2.058 20 0 DEADHO C[C@H](C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)N1CCCCCC1 ZINC000339469002 289301221 /nfs/dbraw/zinc/30/12/21/289301221.db2.gz NFZVQHWSMCIQIO-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000352154954 289407086 /nfs/dbraw/zinc/40/70/86/289407086.db2.gz RJXOOOCDLNTUQP-OIISXLGYSA-N 1 3 324.513 2.231 20 0 DEADHO CN(CCN1CCCC1)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418677421 289649248 /nfs/dbraw/zinc/64/92/48/289649248.db2.gz ROEHZFHTPBEIIK-QGZVFWFLSA-N 1 3 318.465 2.204 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C1CC[NH+](CC[C@H](C)F)CC1)N(C)C ZINC001423655060 1173469706 /nfs/dbraw/zinc/46/97/06/1173469706.db2.gz HBQVHKHJGXTTQY-DZKIICNBSA-N 1 3 315.477 2.291 20 0 DEADHO COc1ccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)N)cc1 ZINC000422947136 295101660 /nfs/dbraw/zinc/10/16/60/295101660.db2.gz PUGNFYDBSZITJV-RRQGHBQHSA-N 1 3 306.450 2.315 20 0 DEADHO COc1ccc(C(C)(C)CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1 ZINC000422947136 295101662 /nfs/dbraw/zinc/10/16/62/295101662.db2.gz PUGNFYDBSZITJV-RRQGHBQHSA-N 1 3 306.450 2.315 20 0 DEADHO COc1ccc([C@@H](CNC(=O)CC[C@@H](C)[NH3+])N2CCCC2)cc1 ZINC000193290744 295212677 /nfs/dbraw/zinc/21/26/77/295212677.db2.gz MMGGMDKFCSYGOQ-RHSMWYFYSA-N 1 3 319.449 2.076 20 0 DEADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000417711559 297113317 /nfs/dbraw/zinc/11/33/17/297113317.db2.gz QCXAWVKULXQQAD-JKSUJKDBSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)CN1C1CC1 ZINC000185798933 297277352 /nfs/dbraw/zinc/27/73/52/297277352.db2.gz MTCVIKNTSRAJDV-HUUCEWRRSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](C(=O)N1CC[C@@H](N2CCCCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000341422122 298076492 /nfs/dbraw/zinc/07/64/92/298076492.db2.gz RQJTWTUAYNUFNG-YYIAUSFCSA-N 1 3 307.482 2.335 20 0 DEADHO C[C@H](C(=O)N1CC[C@@H](N2CCCCC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000341422122 298076496 /nfs/dbraw/zinc/07/64/96/298076496.db2.gz RQJTWTUAYNUFNG-YYIAUSFCSA-N 1 3 307.482 2.335 20 0 DEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCNC(=O)/C=C\c1ccccc1 ZINC000493464086 303399747 /nfs/dbraw/zinc/39/97/47/303399747.db2.gz LCVDQHSVSRLKGR-NJYOSPNCSA-N 1 3 315.461 2.313 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1CCCN(C/C=C\Cl)CC1 ZINC001424255475 1173716956 /nfs/dbraw/zinc/71/69/56/1173716956.db2.gz CGKPKHMVCCGUJW-UQYHUFHVSA-N 1 3 301.862 2.051 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCCN(C/C=C\Cl)CC1 ZINC001424255475 1173716962 /nfs/dbraw/zinc/71/69/62/1173716962.db2.gz CGKPKHMVCCGUJW-UQYHUFHVSA-N 1 3 301.862 2.051 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CC[N@H+](CCC2CC2)CC1(C)C)N(C)C ZINC001424514618 1173817185 /nfs/dbraw/zinc/81/71/85/1173817185.db2.gz IONLSVKNERKTEH-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CCC2CC2)CC1(C)C)N(C)C ZINC001424514618 1173817186 /nfs/dbraw/zinc/81/71/86/1173817186.db2.gz IONLSVKNERKTEH-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C(C)C ZINC001424676351 1173863651 /nfs/dbraw/zinc/86/36/51/1173863651.db2.gz LNELODCKPJRTJL-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO CN(C)Cc1cccc(NC(=O)NCC2CC[NH+](C)CC2)c1 ZINC000171162335 325717824 /nfs/dbraw/zinc/71/78/24/325717824.db2.gz BPLNZFSRDJGUGO-UHFFFAOYSA-N 1 3 304.438 2.212 20 0 DEADHO C[C@H]1C[C@H](NCc2ccccc2N(C)C2CC[NH+](C)CC2)CO1 ZINC000567853161 325870187 /nfs/dbraw/zinc/87/01/87/325870187.db2.gz ZQTSNNBMORJAHI-RDJZCZTQSA-N 1 3 317.477 2.484 20 0 DEADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3CCC[C@@H]([NH3+])C3)c2)CCO1 ZINC000573742296 326087384 /nfs/dbraw/zinc/08/73/84/326087384.db2.gz TYYJUIAGXFRQAL-ATZDWAIDSA-N 1 3 317.477 2.267 20 0 DEADHO [NH3+]Cc1ccc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000574320880 326143895 /nfs/dbraw/zinc/14/38/95/326143895.db2.gz KZFCCGCTDIHCGG-KRWDZBQOSA-N 1 3 324.428 2.391 20 0 DEADHO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)N1CCC(CC[NH3+])CC1 ZINC000576232934 326278843 /nfs/dbraw/zinc/27/88/43/326278843.db2.gz GKFQJNYIHGDFTO-HZPDHXFCSA-N 1 3 317.477 2.356 20 0 DEADHO C[C@H](NC(=O)N1CCC[C@H](C[NH3+])C1)[C@H](c1ccccc1)N(C)C ZINC000577208110 326350271 /nfs/dbraw/zinc/35/02/71/326350271.db2.gz ISAWZEMSHUJYEI-ZMSDIMECSA-N 1 3 318.465 2.058 20 0 DEADHO CCc1ccc([C@H](CNC(=O)N[C@H](C)C[C@@H](C)[NH3+])N(C)C)cc1 ZINC000577391931 326363712 /nfs/dbraw/zinc/36/37/12/326363712.db2.gz CNFUUHNWZQTSKM-CPUCHLNUSA-N 1 3 320.481 2.277 20 0 DEADHO C[NH+](C)CCCCC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000577399254 326363960 /nfs/dbraw/zinc/36/39/60/326363960.db2.gz XDIDDDGQZYMQLG-UHFFFAOYSA-N 1 3 317.477 2.453 20 0 DEADHO COC[C@@H](O)CNCc1ccccc1C[NH+]1CCCCCC1 ZINC000583929724 331473177 /nfs/dbraw/zinc/47/31/77/331473177.db2.gz AHVWYMCHERPLFD-SFHVURJKSA-N 1 3 306.450 2.160 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000390906381 336949306 /nfs/dbraw/zinc/94/93/06/336949306.db2.gz UNBBXLGKATWSLM-SFHVURJKSA-N 1 3 315.461 2.254 20 0 DEADHO Cc1cc(C[NH+](C)C)cc(NC(=O)c2conc2C(C)(C)N)c1 ZINC000582735334 337127736 /nfs/dbraw/zinc/12/77/36/337127736.db2.gz FENBWNBGHAEDIG-UHFFFAOYSA-N 1 3 316.405 2.491 20 0 DEADHO CN1CCC[C@H](CNC(=O)CCCC[NH3+])[C@H]1c1cccs1 ZINC000582783820 337160464 /nfs/dbraw/zinc/16/04/64/337160464.db2.gz UTEMXSJDUXSKAE-CJNGLKHVSA-N 1 3 309.479 2.376 20 0 DEADHO C[NH+](C)CCOC1CCN(Cc2ccc3c(n2)CCC3)CC1 ZINC000582950157 337221442 /nfs/dbraw/zinc/22/14/42/337221442.db2.gz VYTPALGDVZBXLZ-UHFFFAOYSA-N 1 3 303.450 2.113 20 0 DEADHO C[C@H](C(=O)N1CCc2ccccc2C1)N1CCC(CC[NH3+])CC1 ZINC000582971044 337224377 /nfs/dbraw/zinc/22/43/77/337224377.db2.gz UHHQZSRMLJCHOG-OAHLLOKOSA-N 1 3 315.461 2.021 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CCCC[NH3+] ZINC000398178714 337308130 /nfs/dbraw/zinc/30/81/30/337308130.db2.gz WINOQXAMYXEUSG-RDJZCZTQSA-N 1 3 303.450 2.142 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H]1CCC[NH2+]1)N(C)C ZINC000583742467 337328001 /nfs/dbraw/zinc/32/80/01/337328001.db2.gz UQOHQMVZRPZXTA-UXLLHSPISA-N 1 3 318.465 2.037 20 0 DEADHO O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CNCc2ccccc21 ZINC000577868395 341945109 /nfs/dbraw/zinc/94/51/09/341945109.db2.gz QKSTWADAXXTKSY-GOSISDBHSA-N 1 3 307.397 2.158 20 0 DEADHO CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)NCc1ccns1 ZINC001378245503 1152249981 /nfs/dbraw/zinc/24/99/81/1152249981.db2.gz JRYNFPLILPNIEK-ZFWWWQNUSA-N 1 3 324.494 2.000 20 0 DEADHO CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)NCc1ccns1 ZINC001378245503 1152249984 /nfs/dbraw/zinc/24/99/84/1152249984.db2.gz JRYNFPLILPNIEK-ZFWWWQNUSA-N 1 3 324.494 2.000 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C/C=C\Cl)C1 ZINC001397119465 1160001624 /nfs/dbraw/zinc/00/16/24/1160001624.db2.gz HPORNLWPFSWLJS-AGWXYYIZSA-N 1 3 313.873 2.096 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C1C[NH+](CCc2cccs2)C1 ZINC001378590864 1152386910 /nfs/dbraw/zinc/38/69/10/1152386910.db2.gz VLNWUUXBICRZTR-CQSZACIVSA-N 1 3 323.506 2.067 20 0 DEADHO CC[C@H](C)C[N@H+](CCNC(=O)[C@H]1CCCCN1CC)C1CC1 ZINC001400053436 1161642622 /nfs/dbraw/zinc/64/26/22/1161642622.db2.gz JQBPUEQSRMQIGG-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C)C[N@@H+](CCNC(=O)[C@H]1CCCCN1CC)C1CC1 ZINC001400053436 1161642626 /nfs/dbraw/zinc/64/26/26/1161642626.db2.gz JQBPUEQSRMQIGG-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO COc1cccc([C@H](CN[C@@H]2CC[NH2+]CC[C@H]2C)N(C)C)c1 ZINC000422726121 533781752 /nfs/dbraw/zinc/78/17/52/533781752.db2.gz DCJWZQRXEGWDRG-OLMNPRSZSA-N 1 3 305.466 2.276 20 0 DEADHO CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CCCC1CCC1 ZINC001400580168 1161776174 /nfs/dbraw/zinc/77/61/74/1161776174.db2.gz MXVMXCKEYQITOI-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CCCC1CCC1 ZINC001400580168 1161776177 /nfs/dbraw/zinc/77/61/77/1161776177.db2.gz MXVMXCKEYQITOI-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000447956852 533819399 /nfs/dbraw/zinc/81/93/99/533819399.db2.gz WEVZWUNSIGOFMP-HOTGVXAUSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000417337286 533827345 /nfs/dbraw/zinc/82/73/45/533827345.db2.gz XKUVPKRQMQURPE-YYIAUSFCSA-N 1 3 324.513 2.171 20 0 DEADHO C[C@H](NC[C@H](CO)Cc1ccccc1C(F)(F)F)C1C[NH2+]C1 ZINC000422994214 533894733 /nfs/dbraw/zinc/89/47/33/533894733.db2.gz UXFXUPJPMXMOLD-NWDGAFQWSA-N 1 3 316.367 2.054 20 0 DEADHO C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F)C1CNC1 ZINC000422994214 533894742 /nfs/dbraw/zinc/89/47/42/533894742.db2.gz UXFXUPJPMXMOLD-NWDGAFQWSA-N 1 3 316.367 2.054 20 0 DEADHO C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000443077642 534056734 /nfs/dbraw/zinc/05/67/34/534056734.db2.gz VCGMTEYUGXWSLB-GJZGRUSLSA-N 1 3 321.440 2.406 20 0 DEADHO C[C@@H]1NCCN(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)[C@H]1C ZINC000418141597 534129357 /nfs/dbraw/zinc/12/93/57/534129357.db2.gz WYGQUEHGQHHGMO-ZOBUZTSGSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1NCCN(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)[C@H]1C ZINC000418141597 534129365 /nfs/dbraw/zinc/12/93/65/534129365.db2.gz WYGQUEHGQHHGMO-ZOBUZTSGSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1)c1ccccc1F ZINC001378853887 1152468583 /nfs/dbraw/zinc/46/85/83/1152468583.db2.gz PKHWNTFUMSUJDX-LSDHHAIUSA-N 1 3 321.440 2.419 20 0 DEADHO FC(F)(F)CN1CCC(C[NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000188505535 534387996 /nfs/dbraw/zinc/38/79/96/534387996.db2.gz KSZOQZYKGKQFIU-GJZGRUSLSA-N 1 3 319.415 2.477 20 0 DEADHO CCN1CCC(NC(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000338281150 521576047 /nfs/dbraw/zinc/57/60/47/521576047.db2.gz FBCPQHUOYPISEN-XHSDSOJGSA-N 1 3 324.513 2.136 20 0 DEADHO CCN1CCC(NC(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000338281150 521576050 /nfs/dbraw/zinc/57/60/50/521576050.db2.gz FBCPQHUOYPISEN-XHSDSOJGSA-N 1 3 324.513 2.136 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000111857030 521601619 /nfs/dbraw/zinc/60/16/19/521601619.db2.gz IAQVCBAOQHDMHA-IRXDYDNUSA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000111857030 521601623 /nfs/dbraw/zinc/60/16/23/521601623.db2.gz IAQVCBAOQHDMHA-IRXDYDNUSA-N 1 3 324.513 2.280 20 0 DEADHO CN(C)[C@@H](CNC(=O)NCCC[NH+]1CCCC1)c1ccccc1 ZINC000339332732 522017368 /nfs/dbraw/zinc/01/73/68/522017368.db2.gz GNSLMQAYYOVFKG-KRWDZBQOSA-N 1 3 318.465 2.074 20 0 DEADHO [NH3+]CCC[C@H](NC(=O)C1CCN(C2CC2)CC1)c1ccccc1 ZINC000423956232 534620415 /nfs/dbraw/zinc/62/04/15/534620415.db2.gz AHJPGEXMXMGUNW-SFHVURJKSA-N 1 3 315.461 2.457 20 0 DEADHO [NH3+]CC[C@H]1CCCN(CC(=O)NCCc2ccc(Cl)cc2)C1 ZINC000443063963 534654981 /nfs/dbraw/zinc/65/49/81/534654981.db2.gz XNUOEQFRGRCVMI-OAHLLOKOSA-N 1 3 323.868 2.060 20 0 DEADHO Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N ZINC000422757039 534683974 /nfs/dbraw/zinc/68/39/74/534683974.db2.gz MJHMZNLVIVVDBZ-NUEKZKHPSA-N 1 3 316.449 2.077 20 0 DEADHO CN1CCC(NC(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000339426115 524036300 /nfs/dbraw/zinc/03/63/00/524036300.db2.gz YPIZASWQSWXYHQ-UHFFFAOYSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCCN1CCCCC1 ZINC000338260410 524362474 /nfs/dbraw/zinc/36/24/74/524362474.db2.gz JJRBFCZBJMXEOL-BRWVUGGUSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H](CNC(=O)NCCN1CCC[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000338278362 524677254 /nfs/dbraw/zinc/67/72/54/524677254.db2.gz HUFKQSYZIQDYKC-SJORKVTESA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CCNC(C)(C)C2)cc1 ZINC000418346115 528132007 /nfs/dbraw/zinc/13/20/07/528132007.db2.gz HOXLQLCODFWWQF-INIZCTEOSA-N 1 3 318.465 2.203 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000448286197 528223703 /nfs/dbraw/zinc/22/37/03/528223703.db2.gz VBMBRMUHVJAZEE-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000448286197 528223705 /nfs/dbraw/zinc/22/37/05/528223705.db2.gz VBMBRMUHVJAZEE-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CCCN1CCC[C@H]1CNC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000418186208 528232744 /nfs/dbraw/zinc/23/27/44/528232744.db2.gz PYLJETRXVLFHIB-INIZCTEOSA-N 1 3 322.497 2.036 20 0 DEADHO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000418343344 528302655 /nfs/dbraw/zinc/30/26/55/528302655.db2.gz FPLDAWGQAHLNAO-DLBZAZTESA-N 1 3 320.481 2.482 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000418239163 528312848 /nfs/dbraw/zinc/31/28/48/528312848.db2.gz PWKZXYVFUOKTNH-ZACQAIPSSA-N 1 3 324.513 2.266 20 0 DEADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000418095649 528506347 /nfs/dbraw/zinc/50/63/47/528506347.db2.gz HFIWOVZXVDWMKF-LSDHHAIUSA-N 1 3 312.502 2.122 20 0 DEADHO CCCN[C@H](C)C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000295929869 528560442 /nfs/dbraw/zinc/56/04/42/528560442.db2.gz FPPZIPSARQUMED-CQSZACIVSA-N 1 3 307.438 2.344 20 0 DEADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(N)CCC1 ZINC000295025895 528682712 /nfs/dbraw/zinc/68/27/12/528682712.db2.gz CSGZGTHLQLORCY-QGZVFWFLSA-N 1 3 315.461 2.238 20 0 DEADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1(N)CCC1 ZINC000295025895 528682718 /nfs/dbraw/zinc/68/27/18/528682718.db2.gz CSGZGTHLQLORCY-QGZVFWFLSA-N 1 3 315.461 2.238 20 0 DEADHO CCCOc1ccc(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1OC ZINC000422824581 528689301 /nfs/dbraw/zinc/68/93/01/528689301.db2.gz HKCYRSFZVLZYOB-FVQBIDKESA-N 1 3 322.449 2.326 20 0 DEADHO CCOc1ccccc1NC(=O)CCN[C@H]1CC[NH2+]CC1(C)C ZINC000420360918 528741180 /nfs/dbraw/zinc/74/11/80/528741180.db2.gz LQWLWVDAGPAKAW-INIZCTEOSA-N 1 3 319.449 2.392 20 0 DEADHO CCOc1ccccc1NC(=O)CC[NH2+][C@H]1CCNCC1(C)C ZINC000420360918 528741189 /nfs/dbraw/zinc/74/11/89/528741189.db2.gz LQWLWVDAGPAKAW-INIZCTEOSA-N 1 3 319.449 2.392 20 0 DEADHO CCCOc1cccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)N)c1 ZINC000422987789 528751630 /nfs/dbraw/zinc/75/16/30/528751630.db2.gz HJXLIDGCWIQCFR-ZTFGCOKTSA-N 1 3 306.450 2.360 20 0 DEADHO CCCOc1cccc(CCN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000422987789 528751636 /nfs/dbraw/zinc/75/16/36/528751636.db2.gz HJXLIDGCWIQCFR-ZTFGCOKTSA-N 1 3 306.450 2.360 20 0 DEADHO CCN(Cc1ccc(C(=O)NC[C@@H]2CCC[NH2+]2)cc1)C1CC1 ZINC000429106833 528775869 /nfs/dbraw/zinc/77/58/69/528775869.db2.gz XQDQPYFOFVNHFB-INIZCTEOSA-N 1 3 301.434 2.153 20 0 DEADHO CCC(CC)[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)N1CCOCC1 ZINC000422815043 528856997 /nfs/dbraw/zinc/85/69/97/528856997.db2.gz APKGCYGGLHVOOY-NJAFHUGGSA-N 1 3 311.514 2.101 20 0 DEADHO CCCC[C@H](C[NH3+])NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000416887832 528943883 /nfs/dbraw/zinc/94/38/83/528943883.db2.gz OCBVMRNBJTXPLJ-MRXNPFEDSA-N 1 3 306.454 2.065 20 0 DEADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)[C@@H](C)C[NH3+] ZINC000418032553 528990008 /nfs/dbraw/zinc/99/00/08/528990008.db2.gz MCPCCKFTIUVBJA-RDJZCZTQSA-N 1 3 320.481 2.132 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccco1 ZINC000299586469 529098403 /nfs/dbraw/zinc/09/84/03/529098403.db2.gz BMMQGNUKRCWTMU-INIZCTEOSA-N 1 3 321.465 2.087 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccco1 ZINC000299586469 529098407 /nfs/dbraw/zinc/09/84/07/529098407.db2.gz BMMQGNUKRCWTMU-INIZCTEOSA-N 1 3 321.465 2.087 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cccs1 ZINC000299729412 529098436 /nfs/dbraw/zinc/09/84/36/529098436.db2.gz VWNZPCVKUDONFE-HNNXBMFYSA-N 1 3 323.506 2.165 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cccs1 ZINC000299729412 529098441 /nfs/dbraw/zinc/09/84/41/529098441.db2.gz VWNZPCVKUDONFE-HNNXBMFYSA-N 1 3 323.506 2.165 20 0 DEADHO CCN1CCN(Cc2ccccc2CN[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000422893169 529149668 /nfs/dbraw/zinc/14/96/68/529149668.db2.gz PDTCOJJVIANFAN-IAGOWNOFSA-N 1 3 318.509 2.040 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCC[C@@H]([NH2+]C)C1)c1ccco1 ZINC000418167751 529182034 /nfs/dbraw/zinc/18/20/34/529182034.db2.gz NADXWWUPBOKGRO-ZNMIVQPWSA-N 1 3 322.453 2.102 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H](C)CCC[NH3+])c1ccco1 ZINC000418169518 529182841 /nfs/dbraw/zinc/18/28/41/529182841.db2.gz QCYPPTNSMYRQJT-BFHYXJOUSA-N 1 3 310.442 2.135 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000357980823 535232683 /nfs/dbraw/zinc/23/26/83/535232683.db2.gz FVALRKONVLTBGF-CVEARBPZSA-N 1 3 312.502 2.280 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000357980823 535232686 /nfs/dbraw/zinc/23/26/86/535232686.db2.gz FVALRKONVLTBGF-CVEARBPZSA-N 1 3 312.502 2.280 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC000358107071 535267153 /nfs/dbraw/zinc/26/71/53/535267153.db2.gz YNKBFZUCSJQQAI-OAHLLOKOSA-N 1 3 322.497 2.201 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccnn1C(C)C ZINC000349062720 535594131 /nfs/dbraw/zinc/59/41/31/535594131.db2.gz NTBWQCVFWIDIJQ-KRWDZBQOSA-N 1 3 321.513 2.312 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccnn1C(C)C ZINC000349062720 535594136 /nfs/dbraw/zinc/59/41/36/535594136.db2.gz NTBWQCVFWIDIJQ-KRWDZBQOSA-N 1 3 321.513 2.312 20 0 DEADHO CC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccn(C)n1 ZINC000349454661 535803574 /nfs/dbraw/zinc/80/35/74/535803574.db2.gz LONKJIXLAAFOQF-OWCLPIDISA-N 1 3 308.470 2.350 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000371245773 536021769 /nfs/dbraw/zinc/02/17/69/536021769.db2.gz YOCIUECEEXNWEF-GOSISDBHSA-N 1 3 315.461 2.352 20 0 DEADHO CNC(=O)c1ccc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261609341 536423757 /nfs/dbraw/zinc/42/37/57/536423757.db2.gz BPMJUGJCCNFZPJ-MOPGFXCFSA-N 1 3 323.440 2.221 20 0 DEADHO CC(C)[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCCN1C(C)C ZINC001379020866 1152533429 /nfs/dbraw/zinc/53/34/29/1152533429.db2.gz IYTCVRLEIHMPID-IAGOWNOFSA-N 1 3 309.498 2.484 20 0 DEADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccccc1F)N(C)C ZINC001368745916 1148634153 /nfs/dbraw/zinc/63/41/53/1148634153.db2.gz SOYQEMDDBYJHQN-BBRMVZONSA-N 1 3 309.429 2.150 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001379331364 1152610097 /nfs/dbraw/zinc/61/00/97/1152610097.db2.gz QGBUSIAYNIIDNK-HNNXBMFYSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC3CCC3)[C@@H]2C1 ZINC001379629095 1152658027 /nfs/dbraw/zinc/65/80/27/1152658027.db2.gz SHWYVFSVLREPHZ-KSZLIROESA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)CC(C)(C)C1)N(C)C ZINC001368827495 1148694326 /nfs/dbraw/zinc/69/43/26/1148694326.db2.gz PFVHBWBFJJBEIV-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1)N(C)C ZINC001368827495 1148694333 /nfs/dbraw/zinc/69/43/33/1148694333.db2.gz PFVHBWBFJJBEIV-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CCC(CC)C[NH2+]CC1CC(NC(=O)CN2CC[C@H](C)C2)C1 ZINC001368817897 1148686418 /nfs/dbraw/zinc/68/64/18/1148686418.db2.gz GPLMUDTYAHVDQX-OOHWJJMZSA-N 1 3 309.498 2.249 20 0 DEADHO CCCN(C)CC(=O)NCC1(C)CC[NH+](CC2CCC2)CC1 ZINC001380452995 1152814449 /nfs/dbraw/zinc/81/44/49/1152814449.db2.gz ADFHRZVMAXETKD-UHFFFAOYSA-N 1 3 309.498 2.347 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CCCCC[N@@H+]1CCCF)N(C)C ZINC001381759184 1153210743 /nfs/dbraw/zinc/21/07/43/1153210743.db2.gz PYUWOYAHGZKZCS-HZPDHXFCSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CCCCC[N@H+]1CCCF)N(C)C ZINC001381759184 1153210747 /nfs/dbraw/zinc/21/07/47/1153210747.db2.gz PYUWOYAHGZKZCS-HZPDHXFCSA-N 1 3 315.477 2.293 20 0 DEADHO CCN1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008065100 625323771 /nfs/dbraw/zinc/32/37/71/625323771.db2.gz YUNCZJGREMEKFU-MRXNPFEDSA-N 1 3 303.450 2.005 20 0 DEADHO CCN1CCN(CCC[NH2+]C[C@H]2CCc3ccccc32)CC1 ZINC000893327091 625477304 /nfs/dbraw/zinc/47/73/04/625477304.db2.gz FDWAZQDKIUIBDM-GOSISDBHSA-N 1 3 301.478 2.334 20 0 DEADHO Cc1cc(CNC2CC[NH+](C3CCN(C)CC3)CC2)cnc1F ZINC000892763245 625566765 /nfs/dbraw/zinc/56/67/65/625566765.db2.gz PBFDPJIJCAFAHF-UHFFFAOYSA-N 1 3 320.456 2.177 20 0 DEADHO COCC1(C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CCOCC1 ZINC000925675751 625594838 /nfs/dbraw/zinc/59/48/38/625594838.db2.gz WEZHMWLEKHYWRC-SJORKVTESA-N 1 3 310.482 2.188 20 0 DEADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)c1ccc(F)cc1 ZINC000969588988 622833710 /nfs/dbraw/zinc/83/37/10/622833710.db2.gz VAUHQKQZKKPSBK-KBRIMQKVSA-N 1 3 319.424 2.171 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001020590168 622930034 /nfs/dbraw/zinc/93/00/34/622930034.db2.gz OCLRBWYTJUJKTC-BPUTZDHNSA-N 1 3 307.482 2.001 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000969949199 623015878 /nfs/dbraw/zinc/01/58/78/623015878.db2.gz OLBZKJGVSWWCPR-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCC2)C1 ZINC000970176940 623279754 /nfs/dbraw/zinc/27/97/54/623279754.db2.gz JPNNYZKYGLGFQM-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)c1ccccc1 ZINC000970716900 623638931 /nfs/dbraw/zinc/63/89/31/623638931.db2.gz IEUYUXVYVNIHSQ-QZTJIDSGSA-N 1 3 315.461 2.424 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000970720557 623640981 /nfs/dbraw/zinc/64/09/81/623640981.db2.gz USSUUUYTTBVAFW-DLBZAZTESA-N 1 3 315.461 2.342 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021604886 623821230 /nfs/dbraw/zinc/82/12/30/623821230.db2.gz IDISTAPAWVZIJR-DOTOQJQBSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021604886 623821243 /nfs/dbraw/zinc/82/12/43/623821243.db2.gz IDISTAPAWVZIJR-DOTOQJQBSA-N 1 3 307.482 2.192 20 0 DEADHO C([C@H]1CC[C@H](C2CC2)O1)[NH+]1CCC(N2CCCOCC2)CC1 ZINC000931284039 625692482 /nfs/dbraw/zinc/69/24/82/625692482.db2.gz MKIHMOATQKKSKI-QZTJIDSGSA-N 1 3 308.466 2.131 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1)c1ccsc1 ZINC000891349412 624047651 /nfs/dbraw/zinc/04/76/51/624047651.db2.gz VBXORYHSLLHYAG-CFVMTHIKSA-N 1 3 324.494 2.168 20 0 DEADHO Cc1ccccc1C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000971202403 624068694 /nfs/dbraw/zinc/06/86/94/624068694.db2.gz WPESHPKMTXHGTA-QZTJIDSGSA-N 1 3 315.461 2.122 20 0 DEADHO Cc1ccccc1C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000971202403 624068697 /nfs/dbraw/zinc/06/86/97/624068697.db2.gz WPESHPKMTXHGTA-QZTJIDSGSA-N 1 3 315.461 2.122 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001026734626 625702914 /nfs/dbraw/zinc/70/29/14/625702914.db2.gz QTNJLTADHLZQKY-RDJZCZTQSA-N 1 3 319.493 2.099 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)NCCC(C)(C)[NH3+])CN1Cc1ccccc1 ZINC000891674050 624525949 /nfs/dbraw/zinc/52/59/49/624525949.db2.gz VIMVDAKYCMJOOI-GOEBONIOSA-N 1 3 318.465 2.076 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)N(C)[C@@H]2CCCN(C)C2)CC1 ZINC000891901923 624654191 /nfs/dbraw/zinc/65/41/91/624654191.db2.gz JEJOBNDSIVFVSL-QGZVFWFLSA-N 1 3 324.513 2.234 20 0 DEADHO COC(=O)c1c[nH]c(CN(C)CC2CC[NH+](C)CC2)c1C1CC1 ZINC000891933152 624669276 /nfs/dbraw/zinc/66/92/76/624669276.db2.gz CXXOYEOAGCEOSS-UHFFFAOYSA-N 1 3 319.449 2.452 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001022711950 624864164 /nfs/dbraw/zinc/86/41/64/624864164.db2.gz GMXICZBKSNTEKI-BHYGNILZSA-N 1 3 305.466 2.208 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2C)C1)N(C)C ZINC000972355570 624939431 /nfs/dbraw/zinc/93/94/31/624939431.db2.gz WRVGNOMQRKVRPD-ROUUACIJSA-N 1 3 317.477 2.368 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2C)C1)N(C)C ZINC000972355570 624939433 /nfs/dbraw/zinc/93/94/33/624939433.db2.gz WRVGNOMQRKVRPD-ROUUACIJSA-N 1 3 317.477 2.368 20 0 DEADHO C[N@H+](CC1CCCCC1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972426902 625070869 /nfs/dbraw/zinc/07/08/69/625070869.db2.gz RSFSGNNAUSYLGX-MRXNPFEDSA-N 1 3 304.438 2.065 20 0 DEADHO C[N@@H+](CC1CCCCC1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972426902 625070874 /nfs/dbraw/zinc/07/08/74/625070874.db2.gz RSFSGNNAUSYLGX-MRXNPFEDSA-N 1 3 304.438 2.065 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1)C1CC1 ZINC001024986673 625127803 /nfs/dbraw/zinc/12/78/03/625127803.db2.gz ZOQIZAZYFDIOKY-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001023130898 625164834 /nfs/dbraw/zinc/16/48/34/625164834.db2.gz LLCSQRHHKGUZCX-XHSDSOJGSA-N 1 3 321.490 2.359 20 0 DEADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)NCCCCCCC[NH+](C)C ZINC000892339962 625165042 /nfs/dbraw/zinc/16/50/42/625165042.db2.gz KEBWQCYVOJIEJY-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO CC1(C)C[C@H]([NH3+])C[C@@H](NCCc2nnc3n2CCCCC3)C1 ZINC000925533895 625236115 /nfs/dbraw/zinc/23/61/15/625236115.db2.gz PVAHFZMISNKCQP-ZIAGYGMSSA-N 1 3 305.470 2.043 20 0 DEADHO FC(F)CN1CCC([NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925534029 625237906 /nfs/dbraw/zinc/23/79/06/625237906.db2.gz IPMMINCYUNFDNX-HOTGVXAUSA-N 1 3 315.452 2.474 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001024437495 625773367 /nfs/dbraw/zinc/77/33/67/625773367.db2.gz SIGSMAZZEBKLLM-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001024437495 625773373 /nfs/dbraw/zinc/77/33/73/625773373.db2.gz SIGSMAZZEBKLLM-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2csc(C)c2)C1)N(C)C ZINC000999481162 634607048 /nfs/dbraw/zinc/60/70/48/634607048.db2.gz CGWACHBLSSHSTH-HZPDHXFCSA-N 1 3 323.506 2.477 20 0 DEADHO CCC1([NH+]2CCCC2)CCN(C(=O)N[C@H]2CCN(C)[C@@H]2C)CC1 ZINC000925346368 634772920 /nfs/dbraw/zinc/77/29/20/634772920.db2.gz UAVJCAQOPNGDFF-CVEARBPZSA-N 1 3 322.497 2.129 20 0 DEADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]([NH2+]CCC3CC3)C2)C1 ZINC001000196631 634784955 /nfs/dbraw/zinc/78/49/55/634784955.db2.gz FVEDSNPPOFELSH-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO Cc1cnc(Cl)c(CNCCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000921720698 634808241 /nfs/dbraw/zinc/80/82/41/634808241.db2.gz HKVSJMMGHKNTAF-HNNXBMFYSA-N 1 3 311.857 2.370 20 0 DEADHO Cc1cnc(Cl)c(CNCCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000921720698 634808243 /nfs/dbraw/zinc/80/82/43/634808243.db2.gz HKVSJMMGHKNTAF-HNNXBMFYSA-N 1 3 311.857 2.370 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC2CCC2)C(C)(C)C1 ZINC000995874459 633133002 /nfs/dbraw/zinc/13/30/02/633133002.db2.gz UYKJWGFDQZAXHQ-IRXDYDNUSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC000995880307 633134060 /nfs/dbraw/zinc/13/40/60/633134060.db2.gz JSTKCZZTLHKLAT-CVEARBPZSA-N 1 3 307.482 2.097 20 0 DEADHO CN(CC(=O)N1C[C@H]([NH2+]CCC2CC2)C(C)(C)C1)C1CCC1 ZINC000995916467 633143629 /nfs/dbraw/zinc/14/36/29/633143629.db2.gz ISCHVRNWJGDAOM-INIZCTEOSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]CC2CCCC2)C(C)(C)C1 ZINC000996300269 633232336 /nfs/dbraw/zinc/23/23/36/633232336.db2.gz LCZQZPJRVSEPDR-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CC1=CCCCC1 ZINC000996353891 633245198 /nfs/dbraw/zinc/24/51/98/633245198.db2.gz DXKDAYSWWJAHMB-INIZCTEOSA-N 1 3 316.449 2.279 20 0 DEADHO CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN2CC(C)C)C(C)(C)C1 ZINC000974756421 633291425 /nfs/dbraw/zinc/29/14/25/633291425.db2.gz BYRFJZLFJSGOKS-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN2CC(C)C)C(C)(C)C1 ZINC000974756421 633291429 /nfs/dbraw/zinc/29/14/29/633291429.db2.gz BYRFJZLFJSGOKS-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC([NH2+]Cc2ccccc2)CC1)C1CC1 ZINC000996676419 633347249 /nfs/dbraw/zinc/34/72/49/633347249.db2.gz HJTFPMOCVZZDNK-SFHVURJKSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001027062819 633384359 /nfs/dbraw/zinc/38/43/59/633384359.db2.gz CFJMIPJJPFKDTB-SJLPKXTDSA-N 1 3 319.493 2.409 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(C)C)C1 ZINC001015976316 633575481 /nfs/dbraw/zinc/57/54/81/633575481.db2.gz LWVXENJMVRNMAA-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001015976316 633575482 /nfs/dbraw/zinc/57/54/82/633575482.db2.gz LWVXENJMVRNMAA-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC1CCN(CC(=O)N2CCC([NH2+]CC3CCCC3)CC2)CC1 ZINC000997115605 633595205 /nfs/dbraw/zinc/59/52/05/633595205.db2.gz OMEWWTNKQPWMJE-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CN(C)C1(C(=O)N2CCC(C[NH2+]CC3CCC3)CC2)CCC1 ZINC000997823343 634000673 /nfs/dbraw/zinc/00/06/73/634000673.db2.gz MATKRYNFNVRRSS-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO CCN(C(=O)[C@@H]1CCCN1C)[C@H]1CCC[N@H+](CC2CC2)CC1 ZINC000997949725 634073132 /nfs/dbraw/zinc/07/31/32/634073132.db2.gz OFMIUHONASUKAU-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CCN(C(=O)[C@@H]1CCCN1C)[C@H]1CCC[N@@H+](CC2CC2)CC1 ZINC000997949725 634073138 /nfs/dbraw/zinc/07/31/38/634073138.db2.gz OFMIUHONASUKAU-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO C[N@H+](CC1=CCCCC1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027598074 634247815 /nfs/dbraw/zinc/24/78/15/634247815.db2.gz RHOPAQOUPFQLLB-QGZVFWFLSA-N 1 3 316.449 2.375 20 0 DEADHO C[N@@H+](CC1=CCCCC1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027598074 634247816 /nfs/dbraw/zinc/24/78/16/634247816.db2.gz RHOPAQOUPFQLLB-QGZVFWFLSA-N 1 3 316.449 2.375 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC=C(C)C)C[C@H]21 ZINC000978229456 634249708 /nfs/dbraw/zinc/24/97/08/634249708.db2.gz IZCBIQMFSLFSTO-FJIDUMEYSA-N 1 3 319.493 2.121 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC=C(C)C)C[C@H]21 ZINC000978229456 634249712 /nfs/dbraw/zinc/24/97/12/634249712.db2.gz IZCBIQMFSLFSTO-FJIDUMEYSA-N 1 3 319.493 2.121 20 0 DEADHO C[C@H](NCc1cc(N)ccn1)c1cccc(OCC[NH+](C)C)c1 ZINC000925770806 634912063 /nfs/dbraw/zinc/91/20/63/634912063.db2.gz JWPWMMOEKRNXOM-AWEZNQCLSA-N 1 3 314.433 2.455 20 0 DEADHO C[N@H+](CC1CCCCC1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980404551 634988693 /nfs/dbraw/zinc/98/86/93/634988693.db2.gz BRRHJYHRIMNALD-QGZVFWFLSA-N 1 3 307.482 2.195 20 0 DEADHO C[N@@H+](CC1CCCCC1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980404551 634988696 /nfs/dbraw/zinc/98/86/96/634988696.db2.gz BRRHJYHRIMNALD-QGZVFWFLSA-N 1 3 307.482 2.195 20 0 DEADHO CC[NH2+]C[C@@H]1C[C@@H](C)N(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000980811041 635164015 /nfs/dbraw/zinc/16/40/15/635164015.db2.gz GLDNZMYKPIVWBK-ZBFHGGJFSA-N 1 3 303.450 2.208 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCC1=CC[N@H+](CC2CCC2)CC1 ZINC001000680208 635274194 /nfs/dbraw/zinc/27/41/94/635274194.db2.gz SSZJZUIIYWHPRP-SFHVURJKSA-N 1 3 319.493 2.408 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CC2CCC2)CC1 ZINC001000680208 635274199 /nfs/dbraw/zinc/27/41/99/635274199.db2.gz SSZJZUIIYWHPRP-SFHVURJKSA-N 1 3 319.493 2.408 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000981143814 635329979 /nfs/dbraw/zinc/32/99/79/635329979.db2.gz WGSDAFZQCZGISS-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000981143814 635329983 /nfs/dbraw/zinc/32/99/83/635329983.db2.gz WGSDAFZQCZGISS-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000931767071 635360628 /nfs/dbraw/zinc/36/06/28/635360628.db2.gz BTYMUNWMHLNNJT-SJORKVTESA-N 1 3 307.482 2.336 20 0 DEADHO CC(C)(C(=O)N[C@H]1CCC[C@H]([NH2+]CC2CC2)C1)N1CCCC1 ZINC000981269981 635413329 /nfs/dbraw/zinc/41/33/29/635413329.db2.gz FTROHCGRNVISBA-HOTGVXAUSA-N 1 3 307.482 2.288 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@H]([NH2+]CCC2CC2)C1 ZINC000981486541 635500167 /nfs/dbraw/zinc/50/01/67/635500167.db2.gz NZYJHXRLHWQRBS-GJZGRUSLSA-N 1 3 304.438 2.078 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@H]([NH2+]CC2CCC2)C1 ZINC000981485706 635500697 /nfs/dbraw/zinc/50/06/97/635500697.db2.gz KJFMZDPZCMRCAH-GJZGRUSLSA-N 1 3 304.438 2.078 20 0 DEADHO CCCCN1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000981681815 635591625 /nfs/dbraw/zinc/59/16/25/635591625.db2.gz IKQIOPYBVVTAGU-QGZVFWFLSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)=CC[N@H+]1CCCN(C(=O)c2occc2CN(C)C)CC1 ZINC000981837695 635679699 /nfs/dbraw/zinc/67/96/99/635679699.db2.gz WDVATZLWXPFDEC-UHFFFAOYSA-N 1 3 319.449 2.455 20 0 DEADHO CC(C)=CC[N@@H+]1CCCN(C(=O)c2occc2CN(C)C)CC1 ZINC000981837695 635679702 /nfs/dbraw/zinc/67/97/02/635679702.db2.gz WDVATZLWXPFDEC-UHFFFAOYSA-N 1 3 319.449 2.455 20 0 DEADHO OC1(C2(C[NH2+][C@H]3CCNC[C@@H]3C3CCCC3)CC2)CCOCC1 ZINC000925826178 635746581 /nfs/dbraw/zinc/74/65/81/635746581.db2.gz LBGDJDMMPQSXIT-SJORKVTESA-N 1 3 322.493 2.066 20 0 DEADHO CC(C)=CCN1CCCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000982086310 635856994 /nfs/dbraw/zinc/85/69/94/635856994.db2.gz HIUMEHVLWNDIDS-UHFFFAOYSA-N 1 3 307.482 2.219 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC1CC[NH+](CC2CCC2)CC1 ZINC001002955400 635859962 /nfs/dbraw/zinc/85/99/62/635859962.db2.gz NBLWTJYQKNECIS-QGZVFWFLSA-N 1 3 307.482 2.242 20 0 DEADHO CCCCN1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC000982151343 635891464 /nfs/dbraw/zinc/89/14/64/635891464.db2.gz ACRDUBRJGAQPHK-IRXDYDNUSA-N 1 3 307.482 2.338 20 0 DEADHO CCCCN1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC000982151343 635891467 /nfs/dbraw/zinc/89/14/67/635891467.db2.gz ACRDUBRJGAQPHK-IRXDYDNUSA-N 1 3 307.482 2.338 20 0 DEADHO CN1CC[C@H]([NH2+]C[C@]2(C(F)(F)F)CCCN2)[C@H]2CCC[C@H]21 ZINC000925850972 635948955 /nfs/dbraw/zinc/94/89/55/635948955.db2.gz AVHAKZKKEGBUHK-RQJABVFESA-N 1 3 305.388 2.133 20 0 DEADHO C[C@@H](F)CC[NH+]1CCC(NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001003424983 635966119 /nfs/dbraw/zinc/96/61/19/635966119.db2.gz YDHKKTBEMWQMKV-CQSZACIVSA-N 1 3 313.461 2.190 20 0 DEADHO CN1C[C@@H](C[NH2+]Cc2c3c(nn2C)CCC3)[C@H](c2ccccc2)C1 ZINC000922211898 636004432 /nfs/dbraw/zinc/00/44/32/636004432.db2.gz KQYPRGPYLUEDGF-AEFFLSMTSA-N 1 3 324.472 2.344 20 0 DEADHO C[C@H]1CCN(CC(=O)NC2CC[NH+](CC3=CCCCC3)CC2)C1 ZINC001003625383 636006985 /nfs/dbraw/zinc/00/69/85/636006985.db2.gz FKWDCDPXELBKHQ-INIZCTEOSA-N 1 3 319.493 2.409 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](CC3=CCCCC3)CC2)C1 ZINC001003625384 636007082 /nfs/dbraw/zinc/00/70/82/636007082.db2.gz FKWDCDPXELBKHQ-MRXNPFEDSA-N 1 3 319.493 2.409 20 0 DEADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cc(C)ns3)C2)[C@H]1C(C)C ZINC000922396532 636157794 /nfs/dbraw/zinc/15/77/94/636157794.db2.gz XNUXFXKYGHKEFZ-VQHPVUNQSA-N 1 3 323.506 2.411 20 0 DEADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cc(C)ns3)C2)[C@H]1C(C)C ZINC000922396532 636157795 /nfs/dbraw/zinc/15/77/95/636157795.db2.gz XNUXFXKYGHKEFZ-VQHPVUNQSA-N 1 3 323.506 2.411 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779226 636646518 /nfs/dbraw/zinc/64/65/18/636646518.db2.gz KJRAPPFBYQFPRD-KURKYZTESA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779226 636646524 /nfs/dbraw/zinc/64/65/24/636646524.db2.gz KJRAPPFBYQFPRD-KURKYZTESA-N 1 3 321.509 2.297 20 0 DEADHO CCC(CC)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC001005186229 636685314 /nfs/dbraw/zinc/68/53/14/636685314.db2.gz ZOUSRUBJJXBYOV-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CCN1CCC([NH2+][C@H](C)[C@@H](C)N2CCOCC2)CC1 ZINC000924973998 636729966 /nfs/dbraw/zinc/72/99/66/636729966.db2.gz QOLZCASAZMXDCL-IAGOWNOFSA-N 1 3 311.514 2.196 20 0 DEADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](N)CC1CC1 ZINC000319796895 636750961 /nfs/dbraw/zinc/75/09/61/636750961.db2.gz AMTMFSXRLOFUNB-KRWDZBQOSA-N 1 3 303.450 2.272 20 0 DEADHO O[C@H](CN1CCCC1)C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000747969273 636760832 /nfs/dbraw/zinc/76/08/32/636760832.db2.gz NQILAXDHBBLUHX-MRXNPFEDSA-N 1 3 310.482 2.257 20 0 DEADHO CCN1CCN(CCC[NH2+]Cc2nccc3ccccc32)CC1 ZINC000894383297 636974842 /nfs/dbraw/zinc/97/48/42/636974842.db2.gz FOFIJLULHZJWNL-UHFFFAOYSA-N 1 3 312.461 2.352 20 0 DEADHO NC[C@@H]1CCC[N@@H+]1C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000923293134 637094938 /nfs/dbraw/zinc/09/49/38/637094938.db2.gz OAUNWEFCSNLOKJ-KBPBESRZSA-N 1 3 302.340 2.032 20 0 DEADHO NC[C@@H]1CCC[N@H+]1C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000923293134 637094943 /nfs/dbraw/zinc/09/49/43/637094943.db2.gz OAUNWEFCSNLOKJ-KBPBESRZSA-N 1 3 302.340 2.032 20 0 DEADHO C[C@]1(C[NH3+])CCN(C[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000923357616 637131927 /nfs/dbraw/zinc/13/19/27/637131927.db2.gz ZBDIPUCXBLNNMP-YTQUADARSA-N 1 3 318.461 2.112 20 0 DEADHO CCOc1ccc(OC[C@@H](O)CN2CCCC[C@H]2CC[NH3+])cc1 ZINC000923353194 637133897 /nfs/dbraw/zinc/13/38/97/637133897.db2.gz IBPMNDVCZLDANN-HOTGVXAUSA-N 1 3 322.449 2.028 20 0 DEADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000923372614 637139641 /nfs/dbraw/zinc/13/96/41/637139641.db2.gz IDIXANZMLATUGQ-MXAVVETBSA-N 1 3 314.351 2.345 20 0 DEADHO Cc1cccc(OC[C@@H](O)CN2CC[C@@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000923414638 637167552 /nfs/dbraw/zinc/16/75/52/637167552.db2.gz MQOQDYVWVABQHY-LPHOPBHVSA-N 1 3 320.477 2.432 20 0 DEADHO CC[C@H]1c2ccsc2CCN1C(=O)CN1CC[C@@H](CC[NH3+])C1 ZINC000923486786 637200381 /nfs/dbraw/zinc/20/03/81/637200381.db2.gz JSOSPIGVDOENCE-HIFRSBDPSA-N 1 3 321.490 2.255 20 0 DEADHO CC(C)[C@@H](NC(=O)CN1CC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000923488004 637202378 /nfs/dbraw/zinc/20/23/78/637202378.db2.gz OWYNJTMJLVPXRZ-MAUKXSAKSA-N 1 3 303.450 2.171 20 0 DEADHO Cc1ccc([C@H](NC(=O)CN2CC[C@@H](CC[NH3+])C2)C2CC2)cc1 ZINC000923484912 637205551 /nfs/dbraw/zinc/20/55/51/637205551.db2.gz CUHXCLLGLWUTJK-BEFAXECRSA-N 1 3 315.461 2.233 20 0 DEADHO C[C@@H]1CN(CC(=O)NC2(c3ccccc3)CCC2)CC[C@H]1C[NH3+] ZINC000923496479 637207443 /nfs/dbraw/zinc/20/74/43/637207443.db2.gz IWKUGPJGOUBXFT-CVEARBPZSA-N 1 3 315.461 2.099 20 0 DEADHO CCN(C(=O)[C@H](C)N1CC[C@H](C[NH3+])[C@@H](C)C1)c1ccccc1 ZINC000923503457 637224023 /nfs/dbraw/zinc/22/40/23/637224023.db2.gz IRXNPDSLDLFCAM-HRCADAONSA-N 1 3 303.450 2.345 20 0 DEADHO CC(C)[C@H](C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)N(C)C ZINC000738519036 637464919 /nfs/dbraw/zinc/46/49/19/637464919.db2.gz BJBSNCLXNBHOLP-QGZVFWFLSA-N 1 3 305.466 2.293 20 0 DEADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)[NH+]1CCCCC1 ZINC000741277324 637960618 /nfs/dbraw/zinc/96/06/18/637960618.db2.gz GBHOQXUYZZFJEQ-OAHLLOKOSA-N 1 3 303.450 2.352 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2CN)C1 ZINC000841027381 650408078 /nfs/dbraw/zinc/40/80/78/650408078.db2.gz ANQPDQQNJGSRSN-RFQIPJPRSA-N 1 3 318.408 2.461 20 0 DEADHO CN(CC(C)(C)C[NH+](C)C)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000896009795 638306160 /nfs/dbraw/zinc/30/61/60/638306160.db2.gz CFLNKEBPJVUBKH-MRXNPFEDSA-N 1 3 324.513 2.233 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN[C@@H](C)C2)C1 ZINC000841060657 650417910 /nfs/dbraw/zinc/41/79/10/650417910.db2.gz AGUJGQIGYFLODJ-RFQIPJPRSA-N 1 3 318.408 2.474 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H](N[C@@H]2CCCC[NH2+]C2)C1 ZINC000841091344 650428726 /nfs/dbraw/zinc/42/87/26/650428726.db2.gz VTSOWXMPFMWQCO-MGPQQGTHSA-N 1 3 318.408 2.475 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)N1CCCCC1 ZINC000749206756 638623685 /nfs/dbraw/zinc/62/36/85/638623685.db2.gz BBOWZRPWIGEMOZ-NVXWUHKLSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)N1CCCCC1 ZINC000749206756 638623690 /nfs/dbraw/zinc/62/36/90/638623690.db2.gz BBOWZRPWIGEMOZ-NVXWUHKLSA-N 1 3 307.482 2.384 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC2)C1 ZINC000984884911 638717044 /nfs/dbraw/zinc/71/70/44/638717044.db2.gz TZKCNDNMYBZJQQ-BRWVUGGUSA-N 1 3 307.482 2.144 20 0 DEADHO C[C@@H](C(=O)N1CCC(N(C)CCF)CC1)[NH+]1CCCCCC1 ZINC000985682219 639580200 /nfs/dbraw/zinc/58/02/00/639580200.db2.gz ISKQWCZBKYMLED-HNNXBMFYSA-N 1 3 313.461 2.143 20 0 DEADHO CC[N@H+](C)C1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000985803711 639644788 /nfs/dbraw/zinc/64/47/88/639644788.db2.gz IPBQTDKIIGFRNX-UHFFFAOYSA-N 1 3 303.450 2.305 20 0 DEADHO CC[N@@H+](C)C1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000985803711 639644793 /nfs/dbraw/zinc/64/47/93/639644793.db2.gz IPBQTDKIIGFRNX-UHFFFAOYSA-N 1 3 303.450 2.305 20 0 DEADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1cccc2c1OCO2 ZINC000925240842 639741871 /nfs/dbraw/zinc/74/18/71/639741871.db2.gz LHXDKAFUQOYYNR-KBPBESRZSA-N 1 3 308.422 2.423 20 0 DEADHO c1ccn2c(c1)nnc2CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000321032224 639894782 /nfs/dbraw/zinc/89/47/82/639894782.db2.gz XDFNAKSYVRCMMV-OWCLPIDISA-N 1 3 313.449 2.172 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CC2CCC2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987253195 640143291 /nfs/dbraw/zinc/14/32/91/640143291.db2.gz IVNKYBNYDCNLQZ-RDJZCZTQSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)cc2)CCN1C(=O)CN1CCCC1 ZINC000987521098 640212505 /nfs/dbraw/zinc/21/25/05/640212505.db2.gz WXTRMMPARDBDCI-PBHICJAKSA-N 1 3 319.424 2.001 20 0 DEADHO CCC([NH3+])(CC)CNC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000841849041 650578499 /nfs/dbraw/zinc/57/84/99/650578499.db2.gz MZLPJHSTOOCHBY-GFCCVEGCSA-N 1 3 312.845 2.067 20 0 DEADHO CCC[C@H]1CNCCN1C(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000841849277 650578739 /nfs/dbraw/zinc/57/87/39/650578739.db2.gz GMKSLCOYOJCGDA-KBPBESRZSA-N 1 3 324.856 2.034 20 0 DEADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C2(N(C)C)CCC2)C1 ZINC000762974638 640488002 /nfs/dbraw/zinc/48/80/02/640488002.db2.gz NTVIUTCBKDIPIB-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CC2CCCC2)CN1C(=O)CN(C)C1CCC1 ZINC000988955019 640695656 /nfs/dbraw/zinc/69/56/56/640695656.db2.gz JDBYVNBLVFJYQZ-GOEBONIOSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CCC2CC2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989450550 641004430 /nfs/dbraw/zinc/00/44/30/641004430.db2.gz NUHJOCGHCDZZEJ-ZBFHGGJFSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)CN1C(=O)Cc1c[nH]cn1 ZINC000989493334 641123796 /nfs/dbraw/zinc/12/37/96/641123796.db2.gz SIULBLOJEGBQOY-BBRMVZONSA-N 1 3 316.449 2.112 20 0 DEADHO CC(C)[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000989825375 641248759 /nfs/dbraw/zinc/24/87/59/641248759.db2.gz FBQMJBIXSNTMCV-RHSMWYFYSA-N 1 3 303.450 2.349 20 0 DEADHO Cc1cccc(C[NH2+]C2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000990245764 641410787 /nfs/dbraw/zinc/41/07/87/641410787.db2.gz XJDFWWOQQAHAHJ-GOSISDBHSA-N 1 3 315.461 2.170 20 0 DEADHO CC(C)(C)N1CCC([NH2+][C@H](CO)C[C@@H](O)c2ccccc2)CC1 ZINC000773110972 641730326 /nfs/dbraw/zinc/73/03/26/641730326.db2.gz WOAFBNRXZPATLZ-ZWKOTPCHSA-N 1 3 320.477 2.324 20 0 DEADHO CN(CCN(C)C1CC[NH+](C)CC1)C[C@H]1CC1(Cl)Cl ZINC000774730245 641954496 /nfs/dbraw/zinc/95/44/96/641954496.db2.gz OCJOJCJXYPPEBA-GFCCVEGCSA-N 1 3 308.297 2.138 20 0 DEADHO CN(C)Cc1ccccc1CNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000899990661 642231395 /nfs/dbraw/zinc/23/13/95/642231395.db2.gz PAYHQKUOSFQHPC-ZWKOTPCHSA-N 1 3 315.461 2.381 20 0 DEADHO CN(C)Cc1ccccc1CNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000899990661 642231397 /nfs/dbraw/zinc/23/13/97/642231397.db2.gz PAYHQKUOSFQHPC-ZWKOTPCHSA-N 1 3 315.461 2.381 20 0 DEADHO CN(CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)Cc1ccccc1 ZINC000900338309 642326047 /nfs/dbraw/zinc/32/60/47/642326047.db2.gz VJAOFPUSFRKYGZ-QZTJIDSGSA-N 1 3 315.461 2.252 20 0 DEADHO CN(CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)Cc1ccccc1 ZINC000900338309 642326053 /nfs/dbraw/zinc/32/60/53/642326053.db2.gz VJAOFPUSFRKYGZ-QZTJIDSGSA-N 1 3 315.461 2.252 20 0 DEADHO CCn1cnc(CNCCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000902206536 642957833 /nfs/dbraw/zinc/95/78/33/642957833.db2.gz PBETZPRAWFLJLX-UHFFFAOYSA-N 1 3 316.449 2.176 20 0 DEADHO Cc1cccc(C(=O)NCCN[C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902316102 642998983 /nfs/dbraw/zinc/99/89/83/642998983.db2.gz DRDCFQSPQXTAEQ-MRXNPFEDSA-N 1 3 303.450 2.093 20 0 DEADHO C1CC1[N@H+]1[C@@H]2CC[C@H]1CC(N[C@H]1CCCN3CCSC[C@H]13)C2 ZINC000903224347 643296013 /nfs/dbraw/zinc/29/60/13/643296013.db2.gz UWNVXQHQSYNRJM-HMGCCCKFSA-N 1 3 321.534 2.314 20 0 DEADHO C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC(N[C@H]1CCCN3CCSC[C@H]13)C2 ZINC000903224347 643296017 /nfs/dbraw/zinc/29/60/17/643296017.db2.gz UWNVXQHQSYNRJM-HMGCCCKFSA-N 1 3 321.534 2.314 20 0 DEADHO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](CCN(C)C)c2cccnc2)C1 ZINC000903376594 643334478 /nfs/dbraw/zinc/33/44/78/643334478.db2.gz FWVHREROLZZUPV-BMFZPTHFSA-N 1 3 305.422 2.006 20 0 DEADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@H](C)c1cc(F)ccc1F)C2 ZINC000903492639 643369766 /nfs/dbraw/zinc/36/97/66/643369766.db2.gz IDGYFIYBCFABRZ-PCUPFXIVSA-N 1 3 324.371 2.238 20 0 DEADHO C[C@@H]1CN(CC(=O)N[C@@H](c2ccccc2)C2CC2)C[C@H]1CC[NH3+] ZINC000903495868 643371350 /nfs/dbraw/zinc/37/13/50/643371350.db2.gz ARDVMRWBMPZNLD-BJZITVGISA-N 1 3 315.461 2.171 20 0 DEADHO CCOc1ccccc1NC(=O)[C@H](C)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903495917 643371527 /nfs/dbraw/zinc/37/15/27/643371527.db2.gz BXWSBQMEWBFURO-QLFBSQMISA-N 1 3 319.449 2.329 20 0 DEADHO Fc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)cc1F ZINC000903509373 643373445 /nfs/dbraw/zinc/37/34/45/643373445.db2.gz GODWURCUXTUQCL-IYBDPMFKSA-N 1 3 321.415 2.365 20 0 DEADHO Fc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)cc1F ZINC000903509373 643373447 /nfs/dbraw/zinc/37/34/47/643373447.db2.gz GODWURCUXTUQCL-IYBDPMFKSA-N 1 3 321.415 2.365 20 0 DEADHO Fc1ccc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cc1F ZINC000903509373 643373450 /nfs/dbraw/zinc/37/34/50/643373450.db2.gz GODWURCUXTUQCL-IYBDPMFKSA-N 1 3 321.415 2.365 20 0 DEADHO CC(C)(C)NC(=O)[C@H]1CCCN1Cc1cccc2c1CC[NH2+]C2 ZINC000903575989 643394692 /nfs/dbraw/zinc/39/46/92/643394692.db2.gz XUJQTFWYFJRUMW-QGZVFWFLSA-N 1 3 315.461 2.211 20 0 DEADHO C[C@H]([NH2+]CCCN1CCCC1)c1ccc(N2CCNC2=O)cc1 ZINC000786781433 643407678 /nfs/dbraw/zinc/40/76/78/643407678.db2.gz CVUZOWFNXAGJNB-HNNXBMFYSA-N 1 3 316.449 2.353 20 0 DEADHO CN(CCOc1ccc(Cl)cc1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717851 643437986 /nfs/dbraw/zinc/43/79/86/643437986.db2.gz DZNATUXVDPHZIC-IRXDYDNUSA-N 1 3 324.852 2.419 20 0 DEADHO COc1ccc(CN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C2CC2)cc1 ZINC000903718639 643438224 /nfs/dbraw/zinc/43/82/24/643438224.db2.gz QCCLQAILTPDNPY-RBUKOAKNSA-N 1 3 316.445 2.428 20 0 DEADHO CCC[C@H](C)NC(=O)[C@H]1CCCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903725394 643440045 /nfs/dbraw/zinc/44/00/45/643440045.db2.gz BIWNYJOKVQVJKO-ULQDDVLXSA-N 1 3 309.498 2.393 20 0 DEADHO Cc1nn(C)c2nc(Cl)c(CN[C@H]3CC34CC[NH2+]CC4)cc12 ZINC000841077758 643440933 /nfs/dbraw/zinc/44/09/33/643440933.db2.gz CTASRUQAZMMWJT-ZDUSSCGKSA-N 1 3 319.840 2.162 20 0 DEADHO O=C1CCCCN1CC1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903731606 643442764 /nfs/dbraw/zinc/44/27/64/643442764.db2.gz BSNFIFNNXMFENE-QGZVFWFLSA-N 1 3 307.482 2.101 20 0 DEADHO C[C@H]1CCCC[C@H]1OCC[N@@H+]1CCNCCC12CCOCC2 ZINC000903814474 643472430 /nfs/dbraw/zinc/47/24/30/643472430.db2.gz DVLWRKLBHSCKKS-DLBZAZTESA-N 1 3 310.482 2.426 20 0 DEADHO C[C@H]1CCCC[C@H]1OCC[N@H+]1CCNCCC12CCOCC2 ZINC000903814474 643472432 /nfs/dbraw/zinc/47/24/32/643472432.db2.gz DVLWRKLBHSCKKS-DLBZAZTESA-N 1 3 310.482 2.426 20 0 DEADHO Cc1c(C[C@H](C[NH3+])CN2CCS[C@@H]3CCCC[C@H]32)cnn1C ZINC000903899666 643501726 /nfs/dbraw/zinc/50/17/26/643501726.db2.gz VZRSFWGRCJIXSH-DJIMGWMZSA-N 1 3 322.522 2.206 20 0 DEADHO Cc1c(C[C@@H](CN)C[NH2+]CCc2ccccc2Cl)cnn1C ZINC000903919244 643507544 /nfs/dbraw/zinc/50/75/44/643507544.db2.gz BWQVGTZKBZODTJ-AWEZNQCLSA-N 1 3 320.868 2.332 20 0 DEADHO Cn1cc(C[NH2+]C[C@H]2CNCCC2(F)F)c(-c2ccccc2)n1 ZINC000903955581 643529156 /nfs/dbraw/zinc/52/91/56/643529156.db2.gz WLDHTRDRFAFMBL-OAHLLOKOSA-N 1 3 320.387 2.422 20 0 DEADHO COC(=O)[C@](C)(CNC[C@@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000904368353 643647707 /nfs/dbraw/zinc/64/77/07/643647707.db2.gz IXAUBSHPNFXVHT-ZWKOTPCHSA-N 1 3 304.434 2.097 20 0 DEADHO C[C@@]1(CN2CC[C@H](C(=O)NCc3ccccc3)C2)CCC[NH2+]C1 ZINC000904373461 643648527 /nfs/dbraw/zinc/64/85/27/643648527.db2.gz FGPUHJXBRXVURI-PKOBYXMFSA-N 1 3 315.461 2.014 20 0 DEADHO CC[C@](CNC[C@@]1(C)CCC[NH2+]C1)(C(=O)OC)c1ccccc1 ZINC000904373249 643648699 /nfs/dbraw/zinc/64/86/99/643648699.db2.gz NJZIHQNYZFASRR-RBUKOAKNSA-N 1 3 318.461 2.487 20 0 DEADHO COc1cc(CN2CC[C@@H](C[NH3+])[C@@H](C)C2)cc(OC)c1OC ZINC000904410071 643661083 /nfs/dbraw/zinc/66/10/83/643661083.db2.gz AAZWOEHCROZYIC-JSGCOSHPSA-N 1 3 308.422 2.129 20 0 DEADHO O[C@@H](CCOCc1ccccc1)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000905052029 643771948 /nfs/dbraw/zinc/77/19/48/643771948.db2.gz ZSWYRCWWAXAAIC-FHWLQOOXSA-N 1 3 318.461 2.171 20 0 DEADHO O[C@@H](CCOCc1ccccc1)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000905052029 643771949 /nfs/dbraw/zinc/77/19/49/643771949.db2.gz ZSWYRCWWAXAAIC-FHWLQOOXSA-N 1 3 318.461 2.171 20 0 DEADHO CC(C)CN1CCC([NH2+]C[C@H](O)CC2(O)CCCCC2)CC1 ZINC000905064906 643785181 /nfs/dbraw/zinc/78/51/81/643785181.db2.gz DSVOQVWVXWCVQR-QGZVFWFLSA-N 1 3 312.498 2.143 20 0 DEADHO C[C@](O)(C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C(F)F ZINC000905097913 643799661 /nfs/dbraw/zinc/79/96/61/643799661.db2.gz ONSRCDOWVJNRPP-RDJZCZTQSA-N 1 3 312.404 2.157 20 0 DEADHO C[C@@H](CCNC[C@H](O)CC1(CO)CCCC1)[NH+]1CCCCC1 ZINC000905208058 643832093 /nfs/dbraw/zinc/83/20/93/643832093.db2.gz IZXGZPYQOHLVCQ-DLBZAZTESA-N 1 3 312.498 2.144 20 0 DEADHO C[C@@H](CC[NH2+]C[C@H](O)CC1(CO)CCCC1)N1CCCCC1 ZINC000905208058 643832095 /nfs/dbraw/zinc/83/20/95/643832095.db2.gz IZXGZPYQOHLVCQ-DLBZAZTESA-N 1 3 312.498 2.144 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC[C@@H](O)CCC2(O)CCC2)C1 ZINC000905913249 644083104 /nfs/dbraw/zinc/08/31/04/644083104.db2.gz OGAPSJZOXVZKIK-BBWFWOEESA-N 1 3 312.498 2.000 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC[C@@H](O)CCC2(O)CCC2)C1 ZINC000905913249 644083110 /nfs/dbraw/zinc/08/31/10/644083110.db2.gz OGAPSJZOXVZKIK-BBWFWOEESA-N 1 3 312.498 2.000 20 0 DEADHO C[N@@H+]1CCC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]21 ZINC000907039874 644426816 /nfs/dbraw/zinc/42/68/16/644426816.db2.gz ZQKPJPCQLKJCKY-HOTGVXAUSA-N 1 3 307.482 2.194 20 0 DEADHO C[N@H+]1CCC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]21 ZINC000907039874 644426819 /nfs/dbraw/zinc/42/68/19/644426819.db2.gz ZQKPJPCQLKJCKY-HOTGVXAUSA-N 1 3 307.482 2.194 20 0 DEADHO [NH3+]CCOCCN(Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000843359489 650956951 /nfs/dbraw/zinc/95/69/51/650956951.db2.gz JPJZHRSCYVSSSI-KRWDZBQOSA-N 1 3 320.458 2.259 20 0 DEADHO CC(C)[C@@H](C(=O)NC1CCC2(CC1)CC[NH+](C)CC2)N(C)C ZINC000908497354 644877715 /nfs/dbraw/zinc/87/77/15/644877715.db2.gz BXDTWEXTHNQTJF-INIZCTEOSA-N 1 3 309.498 2.343 20 0 DEADHO COc1ccccc1[C@@H](N)CNC(=O)[C@H]([NH3+])C1CCCCCC1 ZINC000911664273 645768616 /nfs/dbraw/zinc/76/86/16/645768616.db2.gz KZEFAGJYNIOXCP-DOTOQJQBSA-N 1 3 319.449 2.109 20 0 DEADHO C[NH+](C)CC1(C(=O)N[C@@]2(C)CN3CCC2CC3)CCCCC1 ZINC000912376893 646049542 /nfs/dbraw/zinc/04/95/42/646049542.db2.gz LELCHFHFMYRSJZ-KRWDZBQOSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000309992623 646287103 /nfs/dbraw/zinc/28/71/03/646287103.db2.gz AOFQCJIEVWCWHY-OALUTQOASA-N 1 3 320.477 2.226 20 0 DEADHO CC(C)N(C)C[C@H](O)C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000309992623 646287104 /nfs/dbraw/zinc/28/71/04/646287104.db2.gz AOFQCJIEVWCWHY-OALUTQOASA-N 1 3 320.477 2.226 20 0 DEADHO CCC[NH+]1CCC(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000809983665 646307735 /nfs/dbraw/zinc/30/77/35/646307735.db2.gz PQWZQFXFVWPECW-KRWDZBQOSA-N 1 3 313.461 2.190 20 0 DEADHO CC[N@H+](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC000810316151 646352152 /nfs/dbraw/zinc/35/21/52/646352152.db2.gz QOASZKYTDTWPDO-MRXNPFEDSA-N 1 3 301.450 2.045 20 0 DEADHO CC[N@@H+](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC000810316151 646352159 /nfs/dbraw/zinc/35/21/59/646352159.db2.gz QOASZKYTDTWPDO-MRXNPFEDSA-N 1 3 301.450 2.045 20 0 DEADHO C[NH+](C)[C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000811458105 646533311 /nfs/dbraw/zinc/53/33/11/646533311.db2.gz UCPAZTZCDAAOAI-YOEHRIQHSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@H](CN[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1)C[NH+](C)C ZINC000813877053 646818549 /nfs/dbraw/zinc/81/85/49/646818549.db2.gz JFVSVGSNTLKULY-ZIFCJYIRSA-N 1 3 319.493 2.063 20 0 DEADHO C[C@H](C[NH2+][C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1)CN(C)C ZINC000813877053 646818552 /nfs/dbraw/zinc/81/85/52/646818552.db2.gz JFVSVGSNTLKULY-ZIFCJYIRSA-N 1 3 319.493 2.063 20 0 DEADHO COC(=O)N1CCC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000817902982 647377578 /nfs/dbraw/zinc/37/75/78/647377578.db2.gz CYFXBGNRUSYFKN-XUWVNRHRSA-N 1 3 309.454 2.118 20 0 DEADHO NC[C@@H]1CCCC[C@H]1[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000817924683 647383469 /nfs/dbraw/zinc/38/34/69/647383469.db2.gz JMQVTWKWYUHUDG-FQXVJMBOSA-N 1 3 303.450 2.319 20 0 DEADHO C[C@H]([NH2+]C[C@H](N)C1CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000817965989 647395873 /nfs/dbraw/zinc/39/58/73/647395873.db2.gz YNWKIEBLUOOIAT-LRDDRELGSA-N 1 3 303.406 2.421 20 0 DEADHO CCC1([NH+]2CCCCC2)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000915158999 647488059 /nfs/dbraw/zinc/48/80/59/647488059.db2.gz ZQMQHMFZMWGVHO-UHFFFAOYSA-N 1 3 304.438 2.209 20 0 DEADHO C[NH+]1CCC(NC[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000818940884 647544439 /nfs/dbraw/zinc/54/44/39/647544439.db2.gz IXBRCWCPHRPKOR-CQSZACIVSA-N 1 3 313.239 2.166 20 0 DEADHO C[C@@H](CC[NH+](C)C)NCCC(=O)Nc1ccc(N(C)C)cc1 ZINC000819061977 647576135 /nfs/dbraw/zinc/57/61/35/647576135.db2.gz YVBSPBLJHBPMQD-AWEZNQCLSA-N 1 3 306.454 2.011 20 0 DEADHO Cc1ccccc1[C@H](O)C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000819085421 647579980 /nfs/dbraw/zinc/57/99/80/647579980.db2.gz UZHTXHOJPHSPBC-QFBILLFUSA-N 1 3 318.461 2.119 20 0 DEADHO Cc1cc(C)cc([C@@H](O)CNCCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000819264807 647621394 /nfs/dbraw/zinc/62/13/94/647621394.db2.gz GEIVPGVHUBMESH-HKUYNNGSSA-N 1 3 320.477 2.427 20 0 DEADHO Cc1cc(C)cc([C@@H](O)CNCCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000819264807 647621396 /nfs/dbraw/zinc/62/13/96/647621396.db2.gz GEIVPGVHUBMESH-HKUYNNGSSA-N 1 3 320.477 2.427 20 0 DEADHO CC(C)[NH2+][C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC000939806982 648728741 /nfs/dbraw/zinc/72/87/41/648728741.db2.gz QHVINMDUJRZGSJ-RHSMWYFYSA-N 1 3 303.450 2.207 20 0 DEADHO C[NH+]1CCC(NC[C@@H](O)c2ccccc2Br)CC1 ZINC000825343295 648746009 /nfs/dbraw/zinc/74/60/09/648746009.db2.gz KZCXERIUEHLCJS-CQSZACIVSA-N 1 3 313.239 2.166 20 0 DEADHO CC(C)(CNC(=O)C[C@@H]([NH3+])C1CC1)N1CCc2ccccc2C1 ZINC000826816870 648931221 /nfs/dbraw/zinc/93/12/21/648931221.db2.gz KRPWOHXFLJBMIY-QGZVFWFLSA-N 1 3 315.461 2.067 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CCCCC[NH3+])C1 ZINC000827548596 649049137 /nfs/dbraw/zinc/04/91/37/649049137.db2.gz GUUMHVIDJCVMRD-RDJZCZTQSA-N 1 3 303.450 2.457 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CC[S@@](C)=O)CC1 ZINC000828058670 649127328 /nfs/dbraw/zinc/12/73/28/649127328.db2.gz DEAACNQCNIKEDQ-FOIQADDNSA-N 1 3 300.512 2.341 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CC[S@@](C)=O)CC1 ZINC000828058670 649127331 /nfs/dbraw/zinc/12/73/31/649127331.db2.gz DEAACNQCNIKEDQ-FOIQADDNSA-N 1 3 300.512 2.341 20 0 DEADHO CC[N@H+](CCNC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1)C1CC1 ZINC000828263172 649157153 /nfs/dbraw/zinc/15/71/53/649157153.db2.gz OHTQFVORSBZAQI-CQSZACIVSA-N 1 3 324.856 2.034 20 0 DEADHO CC[N@@H+](CCNC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1)C1CC1 ZINC000828263172 649157155 /nfs/dbraw/zinc/15/71/55/649157155.db2.gz OHTQFVORSBZAQI-CQSZACIVSA-N 1 3 324.856 2.034 20 0 DEADHO C[C@H]1CCCN1CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000828834240 649230014 /nfs/dbraw/zinc/23/00/14/649230014.db2.gz OVYCJIUQAFLHCF-DOTOQJQBSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@H]1CCCN1CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000828834240 649230017 /nfs/dbraw/zinc/23/00/17/649230017.db2.gz OVYCJIUQAFLHCF-DOTOQJQBSA-N 1 3 307.482 2.384 20 0 DEADHO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000844190547 651088948 /nfs/dbraw/zinc/08/89/48/651088948.db2.gz JLANVYXHFFVMHC-YOEHRIQHSA-N 1 3 318.465 2.140 20 0 DEADHO COC(=O)/C=C\c1ccc(CN2CCC(C[NH+](C)C)CC2)o1 ZINC000848881068 651542596 /nfs/dbraw/zinc/54/25/96/651542596.db2.gz KHEUWCXDTZFQOV-SREVYHEPSA-N 1 3 306.406 2.239 20 0 DEADHO COC(=O)/C=C/c1ccc(CNCC[C@@H]2CCC[N@H+](C)C2)o1 ZINC000848916594 651560154 /nfs/dbraw/zinc/56/01/54/651560154.db2.gz KGBVDAWSEMSTOP-NPQIQWPPSA-N 1 3 306.406 2.287 20 0 DEADHO COC(=O)/C=C/c1ccc(CNCC[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000848916594 651560157 /nfs/dbraw/zinc/56/01/57/651560157.db2.gz KGBVDAWSEMSTOP-NPQIQWPPSA-N 1 3 306.406 2.287 20 0 DEADHO CO[C@@H](C)CCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849001271 651577852 /nfs/dbraw/zinc/57/78/52/651577852.db2.gz LKPSAFDHXCBHNC-HNNXBMFYSA-N 1 3 318.465 2.190 20 0 DEADHO CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@@]2(O)CCN(C)C2)cc1 ZINC000849019223 651584885 /nfs/dbraw/zinc/58/48/85/651584885.db2.gz SQKITDJGKBUYRO-GUYCJALGSA-N 1 3 304.438 2.203 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC2(CCCC2)O1 ZINC000849049351 651595766 /nfs/dbraw/zinc/59/57/66/651595766.db2.gz MYQNDRQNOVIIPX-HUUCEWRRSA-N 1 3 308.470 2.076 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccc(C)cc1C ZINC000849053514 651596787 /nfs/dbraw/zinc/59/67/87/651596787.db2.gz QEZHQMFBPGSHND-MRXNPFEDSA-N 1 3 318.465 2.281 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000849106084 651601745 /nfs/dbraw/zinc/60/17/45/651601745.db2.gz SNBWHXHBZCUOGM-YWPYICTPSA-N 1 3 322.403 2.419 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CN(C)CCF)C1 ZINC001389719664 1155402863 /nfs/dbraw/zinc/40/28/63/1155402863.db2.gz HVJMPAXEPNOQRL-HOTGVXAUSA-N 1 3 313.461 2.001 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CN(C)CCF)C1 ZINC001389719664 1155402864 /nfs/dbraw/zinc/40/28/64/1155402864.db2.gz HVJMPAXEPNOQRL-HOTGVXAUSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C/c1cccs1 ZINC000855345686 651680292 /nfs/dbraw/zinc/68/02/92/651680292.db2.gz GHASWIGIMRSRDS-VFNNOXKTSA-N 1 3 309.479 2.150 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C/c1cccs1 ZINC000855345686 651680296 /nfs/dbraw/zinc/68/02/96/651680296.db2.gz GHASWIGIMRSRDS-VFNNOXKTSA-N 1 3 309.479 2.150 20 0 DEADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](CCCCO)C2)ccn1 ZINC000856599395 651955295 /nfs/dbraw/zinc/95/52/95/651955295.db2.gz IFWAHZKQJLAALV-SFHVURJKSA-N 1 3 321.465 2.147 20 0 DEADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](CCCCO)C2)ccn1 ZINC000856599395 651955300 /nfs/dbraw/zinc/95/53/00/651955300.db2.gz IFWAHZKQJLAALV-SFHVURJKSA-N 1 3 321.465 2.147 20 0 DEADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](CC[C@H](C)O)C2)ccn1 ZINC000856605916 651957019 /nfs/dbraw/zinc/95/70/19/651957019.db2.gz ZORMQRRNAZMZDK-MAUKXSAKSA-N 1 3 321.465 2.146 20 0 DEADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](CC[C@H](C)O)C2)ccn1 ZINC000856605916 651957024 /nfs/dbraw/zinc/95/70/24/651957024.db2.gz ZORMQRRNAZMZDK-MAUKXSAKSA-N 1 3 321.465 2.146 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000857767774 652173890 /nfs/dbraw/zinc/17/38/90/652173890.db2.gz HHCWOABIFRWRNB-UHFFFAOYSA-N 1 3 316.449 2.356 20 0 DEADHO [NH3+]Cc1cccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)c1 ZINC000851646628 652197759 /nfs/dbraw/zinc/19/77/59/652197759.db2.gz ZFONJOARVWTGKR-QGZVFWFLSA-N 1 3 311.385 2.059 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000851998900 652307622 /nfs/dbraw/zinc/30/76/22/652307622.db2.gz XUYOXCCAJMXZBM-OAHLLOKOSA-N 1 3 324.513 2.421 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001390575493 1155807036 /nfs/dbraw/zinc/80/70/36/1155807036.db2.gz OCCKKELYXPAAAN-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C[NH2+]CC1CC(C)C1 ZINC001391940844 1156837881 /nfs/dbraw/zinc/83/78/81/1156837881.db2.gz VWMKPEOJGLDBFW-HWOWSKLDSA-N 1 3 311.514 2.352 20 0 DEADHO C[C@@H](F)CC[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001392661360 1157309617 /nfs/dbraw/zinc/30/96/17/1157309617.db2.gz WGQITTRESXRIEB-HUUCEWRRSA-N 1 3 315.477 2.436 20 0 DEADHO C[C@@H](F)CC[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001392661360 1157309626 /nfs/dbraw/zinc/30/96/26/1157309626.db2.gz WGQITTRESXRIEB-HUUCEWRRSA-N 1 3 315.477 2.436 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)C(C)C)CC[C@@H]21 ZINC001374565836 1157908413 /nfs/dbraw/zinc/90/84/13/1157908413.db2.gz OGJZWMRCEIRHFF-IRXDYDNUSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H]2CN(C(=O)CN(C)C(C)C)CC[C@@H]21 ZINC001374565836 1157908433 /nfs/dbraw/zinc/90/84/33/1157908433.db2.gz OGJZWMRCEIRHFF-IRXDYDNUSA-N 1 3 309.498 2.296 20 0 DEADHO CC[C@@H](C)C[NH2+]C1(C)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001393740677 1157943489 /nfs/dbraw/zinc/94/34/89/1157943489.db2.gz YIIHBMDSKYPFBN-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](N)CC1CC1 ZINC000382731768 685405987 /nfs/dbraw/zinc/40/59/87/685405987.db2.gz BZBQJCNCRRXHQQ-ZWKOTPCHSA-N 1 3 315.461 2.094 20 0 DEADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](N)CC1CC1 ZINC000382731768 685405991 /nfs/dbraw/zinc/40/59/91/685405991.db2.gz BZBQJCNCRRXHQQ-ZWKOTPCHSA-N 1 3 315.461 2.094 20 0 DEADHO C[C@H]1[C@@H](NC(=O)c2ccc(NC3=NCCC3)cc2)CC[N@@H+]1C ZINC000928428347 693776943 /nfs/dbraw/zinc/77/69/43/693776943.db2.gz MNCCJNQVCJNDQZ-WFASDCNBSA-N 1 3 300.406 2.113 20 0 DEADHO C[C@H]1[C@@H](NC(=O)c2ccc(NC3=NCCC3)cc2)CC[N@H+]1C ZINC000928428347 693776947 /nfs/dbraw/zinc/77/69/47/693776947.db2.gz MNCCJNQVCJNDQZ-WFASDCNBSA-N 1 3 300.406 2.113 20 0 DEADHO C[C@H]1[C@@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000928442997 693780767 /nfs/dbraw/zinc/78/07/67/693780767.db2.gz CKCAOVCCQVFKAS-YJBOKZPZSA-N 1 3 315.461 2.107 20 0 DEADHO CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCCCN1C ZINC001054045313 693820997 /nfs/dbraw/zinc/82/09/97/693820997.db2.gz OCJMVEPLRKAMOD-ZWKOTPCHSA-N 1 3 315.461 2.034 20 0 DEADHO CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCCCN1C ZINC001054045313 693821001 /nfs/dbraw/zinc/82/10/01/693821001.db2.gz OCJMVEPLRKAMOD-ZWKOTPCHSA-N 1 3 315.461 2.034 20 0 DEADHO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)CC1CC[NH+](C)CC1 ZINC000275770492 685209844 /nfs/dbraw/zinc/20/98/44/685209844.db2.gz YVGYMQVKNUKNLQ-AWEZNQCLSA-N 1 3 324.490 2.425 20 0 DEADHO CO[C@H]1CN(C)[C@](C)(COC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000861354459 686059529 /nfs/dbraw/zinc/05/95/29/686059529.db2.gz VUCBUFQGPBQQDT-AEFFLSMTSA-N 1 3 320.433 2.014 20 0 DEADHO C[N@@H+]1CCCC[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000862794046 686379235 /nfs/dbraw/zinc/37/92/35/686379235.db2.gz VLXHKKUBGXTRBW-YOEHRIQHSA-N 1 3 313.461 2.047 20 0 DEADHO C[N@H+]1CCCC[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000862794046 686379242 /nfs/dbraw/zinc/37/92/42/686379242.db2.gz VLXHKKUBGXTRBW-YOEHRIQHSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CC1CCCC1 ZINC001054740006 694036477 /nfs/dbraw/zinc/03/64/77/694036477.db2.gz UPWKRNYWUCREJY-GOEBONIOSA-N 1 3 307.482 2.097 20 0 DEADHO CCN1CC[C@@H](C[NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)C1 ZINC000865417583 687204001 /nfs/dbraw/zinc/20/40/01/687204001.db2.gz QFIMVJXZOQIGFY-SYJJWHGVSA-N 1 3 323.481 2.317 20 0 DEADHO CN(C)CC[NH+]1CCC(N[C@@H]2c3ccccc3OC[C@@H]2F)CC1 ZINC000866227092 687500449 /nfs/dbraw/zinc/50/04/49/687500449.db2.gz ACECJDXBCNDSAR-FUHWJXTLSA-N 1 3 321.440 2.074 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+][C@@H](c2ccccn2)C(C)C)CC1 ZINC000866232275 687502161 /nfs/dbraw/zinc/50/21/61/687502161.db2.gz JDXALGZYCGBDGJ-SJLPKXTDSA-N 1 3 304.482 2.394 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CC1)CC2 ZINC001016618153 687666020 /nfs/dbraw/zinc/66/60/20/687666020.db2.gz PTYQZCJHRHGFJJ-DLBZAZTESA-N 1 3 319.493 2.240 20 0 DEADHO CC(C)[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001016761262 687697455 /nfs/dbraw/zinc/69/74/55/687697455.db2.gz IMYXOTOEKBJXAT-OAHLLOKOSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CC12CC[NH+](CC1CCC1)CC2 ZINC001016830728 687712951 /nfs/dbraw/zinc/71/29/51/687712951.db2.gz UQBZQGVFQCWYNA-NVXWUHKLSA-N 1 3 319.493 2.242 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC12CC[NH+](CC1CCC1)CC2 ZINC001016951648 687741425 /nfs/dbraw/zinc/74/14/25/687741425.db2.gz RBRHADORHYULGH-INIZCTEOSA-N 1 3 316.449 2.031 20 0 DEADHO CC[NH+]1CCC2(C[C@H]2NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001016983394 687749479 /nfs/dbraw/zinc/74/94/79/687749479.db2.gz SAYHLHHKTARMJX-QGZVFWFLSA-N 1 3 315.461 2.352 20 0 DEADHO CC[NH+]1CCC2(C[C@@H]2NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001016983392 687749556 /nfs/dbraw/zinc/74/95/56/687749556.db2.gz SAYHLHHKTARMJX-KRWDZBQOSA-N 1 3 315.461 2.352 20 0 DEADHO CC[C@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001017557101 687911901 /nfs/dbraw/zinc/91/19/01/687911901.db2.gz OGUGSEYTZLIKMV-OWLYRPNTSA-N 1 3 319.493 2.050 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001018635289 688190716 /nfs/dbraw/zinc/19/07/16/688190716.db2.gz OVXMYPXEMVMHBT-HOTGVXAUSA-N 1 3 321.852 2.125 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)C1)C1CC1 ZINC001018966508 688262690 /nfs/dbraw/zinc/26/26/90/688262690.db2.gz KZYHYXUMTAMJTK-IRXDYDNUSA-N 1 3 305.466 2.018 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001019000851 688267519 /nfs/dbraw/zinc/26/75/19/688267519.db2.gz UCPCGNVIVYBMBK-ROUUACIJSA-N 1 3 317.477 2.272 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001019342683 688333931 /nfs/dbraw/zinc/33/39/31/688333931.db2.gz BRWFKRIJNFMTBT-JKSUJKDBSA-N 1 3 309.498 2.199 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001019436047 688356316 /nfs/dbraw/zinc/35/63/16/688356316.db2.gz QXQHGVOOTWQKNL-ZBFHGGJFSA-N 1 3 312.417 2.212 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001029595165 688559500 /nfs/dbraw/zinc/55/95/00/688559500.db2.gz CHNZXNXRGKNNKR-UOVPBQLFSA-N 1 3 319.493 2.335 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001029595165 688559503 /nfs/dbraw/zinc/55/95/03/688559503.db2.gz CHNZXNXRGKNNKR-UOVPBQLFSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CCC2)C1)N(C)C ZINC001029761729 688573030 /nfs/dbraw/zinc/57/30/30/688573030.db2.gz ZLGPBJJYOAZOLW-IRXDYDNUSA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCC2)C1)N(C)C ZINC001029761729 688573034 /nfs/dbraw/zinc/57/30/34/688573034.db2.gz ZLGPBJJYOAZOLW-IRXDYDNUSA-N 1 3 309.498 2.153 20 0 DEADHO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000870854180 688667555 /nfs/dbraw/zinc/66/75/55/688667555.db2.gz NXHJJAQVIXRIGP-QDEZUTFSSA-N 1 3 319.474 2.129 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000870872890 688673766 /nfs/dbraw/zinc/67/37/66/688673766.db2.gz OZVASKDIBLIWBQ-NRSFXHEJSA-N 1 3 315.461 2.456 20 0 DEADHO C[C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)CN1Cc1ccccc1 ZINC000870906697 688682715 /nfs/dbraw/zinc/68/27/15/688682715.db2.gz PNNWLXKYOXANKM-OWLYRPNTSA-N 1 3 315.461 2.283 20 0 DEADHO CC(C)(C)CCN1CC(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001030618389 688726320 /nfs/dbraw/zinc/72/63/20/688726320.db2.gz GKIFJXWNERKAKH-UHFFFAOYSA-N 1 3 300.406 2.185 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000872023459 688915126 /nfs/dbraw/zinc/91/51/26/688915126.db2.gz SBGKAWDFYBASAF-SJORKVTESA-N 1 3 311.514 2.197 20 0 DEADHO C[N@@H+]1CC[C@H](NCc2ccc3oc(=O)[nH]c3c2)[C@H]2CCC[C@@H]21 ZINC000872122841 688932416 /nfs/dbraw/zinc/93/24/16/688932416.db2.gz OVPWFEWKZCRFND-IPYPFGDCSA-N 1 3 301.390 2.496 20 0 DEADHO C[N@H+]1CC[C@H](NCc2ccc3oc(=O)[nH]c3c2)[C@H]2CCC[C@@H]21 ZINC000872122841 688932423 /nfs/dbraw/zinc/93/24/23/688932423.db2.gz OVPWFEWKZCRFND-IPYPFGDCSA-N 1 3 301.390 2.496 20 0 DEADHO CC[NH+]1CCC(N[C@@H](C)[C@@H](O)c2cc(OC)ccc2OC)CC1 ZINC000872136161 688934035 /nfs/dbraw/zinc/93/40/35/688934035.db2.gz JWVAVVAPANEYES-SCLBCKFNSA-N 1 3 322.449 2.200 20 0 DEADHO COc1ccc(NC(=O)[C@@H](C)N(C)CCCCCC[NH3+])cc1 ZINC000872155660 688940630 /nfs/dbraw/zinc/94/06/30/688940630.db2.gz XWEMOQFUWBBOJS-CQSZACIVSA-N 1 3 307.438 2.473 20 0 DEADHO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000872293045 688975904 /nfs/dbraw/zinc/97/59/04/688975904.db2.gz DCBFIJROLMVHCY-LSDHHAIUSA-N 1 3 303.406 2.015 20 0 DEADHO CC[C@@H](C)C[NH+]1CC(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001032207380 689083786 /nfs/dbraw/zinc/08/37/86/689083786.db2.gz OVIGFJIJJXHWSD-OAHLLOKOSA-N 1 3 317.477 2.456 20 0 DEADHO CCN1CCN(CCC[NH2+]Cc2cccc3ncccc23)CC1 ZINC000873011716 689140769 /nfs/dbraw/zinc/14/07/69/689140769.db2.gz DRTZPGHGTIXJNN-UHFFFAOYSA-N 1 3 312.461 2.352 20 0 DEADHO C[C@@H]1C[C@@H](CN2CCN(c3ccc(F)cc3F)CC2)CC[NH2+]1 ZINC000873221419 689186738 /nfs/dbraw/zinc/18/67/38/689186738.db2.gz JUNJOGRNLMRIMB-KGLIPLIRSA-N 1 3 309.404 2.475 20 0 DEADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1CC2(CO1)CCOCC2 ZINC000873251546 689194274 /nfs/dbraw/zinc/19/42/74/689194274.db2.gz KZIZFVSGEHDCRZ-ZACQAIPSSA-N 1 3 310.482 2.473 20 0 DEADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC2CCCC2)C1 ZINC001032627812 689207070 /nfs/dbraw/zinc/20/70/70/689207070.db2.gz IVQHNNDDVRYEIQ-SZMVWBNQSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC2CCCC2)C1 ZINC001032627812 689207072 /nfs/dbraw/zinc/20/70/72/689207072.db2.gz IVQHNNDDVRYEIQ-SZMVWBNQSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001033295844 689452480 /nfs/dbraw/zinc/45/24/80/689452480.db2.gz NPUQQKYFJFGXNN-ZWKOTPCHSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001033295844 689452481 /nfs/dbraw/zinc/45/24/81/689452481.db2.gz NPUQQKYFJFGXNN-ZWKOTPCHSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000874839826 689512164 /nfs/dbraw/zinc/51/21/64/689512164.db2.gz YSYKFOBMORTOJZ-SJORKVTESA-N 1 3 301.434 2.057 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC000874839826 689512166 /nfs/dbraw/zinc/51/21/66/689512166.db2.gz YSYKFOBMORTOJZ-SJORKVTESA-N 1 3 301.434 2.057 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001034329289 689811273 /nfs/dbraw/zinc/81/12/73/689811273.db2.gz GJSGOONOEAPZNY-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001034329289 689811277 /nfs/dbraw/zinc/81/12/77/689811277.db2.gz GJSGOONOEAPZNY-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001034329243 689811383 /nfs/dbraw/zinc/81/13/83/689811383.db2.gz GGMIWDVAWJQHGD-IAGOWNOFSA-N 1 3 307.482 2.242 20 0 DEADHO CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001034329243 689811386 /nfs/dbraw/zinc/81/13/86/689811386.db2.gz GGMIWDVAWJQHGD-IAGOWNOFSA-N 1 3 307.482 2.242 20 0 DEADHO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000876709392 689911646 /nfs/dbraw/zinc/91/16/46/689911646.db2.gz QPBMSLIXXKUSKY-GZBFAFLISA-N 1 3 321.490 2.375 20 0 DEADHO O=C(/C=C/[C@H]1CCC[NH2+]C1)N1CCN(CC2CCCCC2)CC1 ZINC000876718765 689914097 /nfs/dbraw/zinc/91/40/97/689914097.db2.gz SZYCZZQABYWPBX-KBOKABMXSA-N 1 3 319.493 2.267 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876728835 689918305 /nfs/dbraw/zinc/91/83/05/689918305.db2.gz XLNGQPRKHAWRAJ-AEFFLSMTSA-N 1 3 317.433 2.228 20 0 DEADHO CN(C)C[C@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C)c1ccc(Cl)cc1 ZINC000876881555 689963132 /nfs/dbraw/zinc/96/31/32/689963132.db2.gz JRRKMYXMVBNPDJ-SOUVJXGZSA-N 1 3 323.868 2.432 20 0 DEADHO Cc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)c1 ZINC001034882376 689977490 /nfs/dbraw/zinc/97/74/90/689977490.db2.gz WHJMOXNTEOSDDW-MSOLQXFVSA-N 1 3 315.461 2.170 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(F)c1)N(C)C ZINC001034971704 690001071 /nfs/dbraw/zinc/00/10/71/690001071.db2.gz UMBGJWBRBKXCRD-IAGOWNOFSA-N 1 3 321.440 2.247 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@H](C)[C@H](C)[NH3+] ZINC000877030577 690002231 /nfs/dbraw/zinc/00/22/31/690002231.db2.gz IKWSMCCSRHLIOR-IARIHHJXSA-N 1 3 301.434 2.113 20 0 DEADHO CC1CCC(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)CC1 ZINC001035014277 690009443 /nfs/dbraw/zinc/00/94/43/690009443.db2.gz VNQKHMKOKFISIX-OPQOLIRYSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001035052437 690022029 /nfs/dbraw/zinc/02/20/29/690022029.db2.gz XHQGMORMCMXDKD-GDBMZVCRSA-N 1 3 321.490 2.313 20 0 DEADHO CC(C)[NH2+]C[C@H]1CCCN1C(=O)c1ccccc1CN(C)C ZINC001035131802 690034645 /nfs/dbraw/zinc/03/46/45/690034645.db2.gz TYIWAZNGCFDNSN-MRXNPFEDSA-N 1 3 303.450 2.351 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3C[C@H]([NH3+])C3(C)C)C2)cc1 ZINC000877220742 690048935 /nfs/dbraw/zinc/04/89/35/690048935.db2.gz IKRHYWXWWRTIFL-ULQDDVLXSA-N 1 3 315.461 2.059 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)CC[NH2+]CC3CC3)C2)cc1 ZINC000877222362 690049371 /nfs/dbraw/zinc/04/93/71/690049371.db2.gz ZLSIBOWYRMLGMB-GOSISDBHSA-N 1 3 315.461 2.075 20 0 DEADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877285337 690066300 /nfs/dbraw/zinc/06/63/00/690066300.db2.gz ZMZHLVAQPLYIEX-MSOLQXFVSA-N 1 3 313.445 2.249 20 0 DEADHO [NH3+][C@H](CCC(=O)NC[C@H]1Cc2ccccc2CN1)c1ccccc1 ZINC000877346722 690084367 /nfs/dbraw/zinc/08/43/67/690084367.db2.gz GQLSBEPLDKDFOF-RTBURBONSA-N 1 3 323.440 2.297 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC2(C[NH+](CCC(C)(C)C)C2)CC1 ZINC001035668248 690147606 /nfs/dbraw/zinc/14/76/06/690147606.db2.gz FJOBKWSZVWDJRW-INIZCTEOSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)=CC[NH+]1CC2(C1)CCN(C(=O)[C@H](C1CC1)N(C)C)CC2 ZINC001035721404 690160955 /nfs/dbraw/zinc/16/09/55/690160955.db2.gz UYGAHUSUAKAURH-KRWDZBQOSA-N 1 3 319.493 2.217 20 0 DEADHO CC(C)CC[NH+]1CC2(C1)CCN(C(=O)CN1CC[C@H](C)C1)CC2 ZINC001035799521 690179803 /nfs/dbraw/zinc/17/98/03/690179803.db2.gz XMYXNFYTDYSZJQ-KRWDZBQOSA-N 1 3 321.509 2.299 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC2(C[NH+](CC(C)C)C2)CC1 ZINC001035858231 690194621 /nfs/dbraw/zinc/19/46/21/690194621.db2.gz QQPMKUFMTANCKS-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[NH+]1CCC(CCNCc2cc3c(cn2)OCCO3)CC1 ZINC000877696891 690194872 /nfs/dbraw/zinc/19/48/72/690194872.db2.gz AEUGBVYWBNMWMK-UHFFFAOYSA-N 1 3 319.449 2.453 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1[NH2+]CCC1CC1 ZINC001036183246 690283949 /nfs/dbraw/zinc/28/39/49/690283949.db2.gz RHXWCXANPOGQBE-WBVHZDCISA-N 1 3 321.509 2.345 20 0 DEADHO C[NH+]1CCC(NC(=O)CN2CCC[C@]3(CC=CCC3)C2)CC1 ZINC000878107520 690312723 /nfs/dbraw/zinc/31/27/23/690312723.db2.gz YPOXMNQPSHKHPM-GOSISDBHSA-N 1 3 305.466 2.019 20 0 DEADHO CC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001036306023 690316240 /nfs/dbraw/zinc/31/62/40/690316240.db2.gz VWFMXBFEHLLEND-WMLDXEAASA-N 1 3 303.450 2.208 20 0 DEADHO C[C@H]1CCCN(C(=O)CN(C)C2CCC2)[C@@H]1C[NH2+]CC1CC1 ZINC001036556921 690385394 /nfs/dbraw/zinc/38/53/94/690385394.db2.gz UFZDBSYLNVCTPI-WMLDXEAASA-N 1 3 307.482 2.097 20 0 DEADHO C[NH+]1CCC(NC(=O)CN[C@@H](CC2CC2)c2ccccc2)CC1 ZINC000878364641 690388459 /nfs/dbraw/zinc/38/84/59/690388459.db2.gz SDFUMOBQQOXXDM-SFHVURJKSA-N 1 3 315.461 2.328 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](C)CC2)CC12CCCCC2 ZINC000878437278 690406948 /nfs/dbraw/zinc/40/69/48/690406948.db2.gz UAEIQNCICQGEEL-MRXNPFEDSA-N 1 3 321.509 2.489 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CC3CCC3)C2)CCC1 ZINC001036736350 690452122 /nfs/dbraw/zinc/45/21/22/690452122.db2.gz YSSOIUXPMSAWGQ-SJORKVTESA-N 1 3 319.493 2.194 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3CC3CCC3)C2)CCC1 ZINC001036736350 690452124 /nfs/dbraw/zinc/45/21/24/690452124.db2.gz YSSOIUXPMSAWGQ-SJORKVTESA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H]2CN(C(=O)CN(C)C3CCC3)CC[C@@H]21 ZINC001036736469 690453373 /nfs/dbraw/zinc/45/33/73/690453373.db2.gz AFSSQNYVJWUDAY-RDJZCZTQSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)C[N@H+]1CC[C@H]2CN(C(=O)CN(C)C3CCC3)CC[C@@H]21 ZINC001036736469 690453375 /nfs/dbraw/zinc/45/33/75/690453375.db2.gz AFSSQNYVJWUDAY-RDJZCZTQSA-N 1 3 307.482 2.050 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)CC[C@@H]21 ZINC001036738018 690454447 /nfs/dbraw/zinc/45/44/47/690454447.db2.gz ZPKIAVALSUTOPE-WBVHZDCISA-N 1 3 307.482 2.194 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)CC[C@@H]21 ZINC001036738018 690454450 /nfs/dbraw/zinc/45/44/50/690454450.db2.gz ZPKIAVALSUTOPE-WBVHZDCISA-N 1 3 307.482 2.194 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC1CCCC1 ZINC001037155916 690582526 /nfs/dbraw/zinc/58/25/26/690582526.db2.gz BXGRDNFTEULOKV-JKSUJKDBSA-N 1 3 318.465 2.325 20 0 DEADHO CC(C)CN(C(=O)CN1CCC2(CC1)CC[NH+](C)CC2)C1CC1 ZINC000879247654 690602511 /nfs/dbraw/zinc/60/25/11/690602511.db2.gz FWEOUJUNUMYFNB-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCCN(C(=O)CN2CCC3(CC2)CC[NH+](C)CC3)C1 ZINC000879247265 690602746 /nfs/dbraw/zinc/60/27/46/690602746.db2.gz RGQHDIJPPVALQP-INIZCTEOSA-N 1 3 307.482 2.053 20 0 DEADHO CN1CC[NH+](C2CCN(CCOC3CCCCCC3)CC2)CC1 ZINC000879592481 690683215 /nfs/dbraw/zinc/68/32/15/690683215.db2.gz JEVPMLFDLDQMFM-UHFFFAOYSA-N 1 3 323.525 2.438 20 0 DEADHO CCOc1ccc(OCCN2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)cc1 ZINC000931428043 694392272 /nfs/dbraw/zinc/39/22/72/694392272.db2.gz VESXMXXKGSQWAM-JKSUJKDBSA-N 1 3 304.434 2.348 20 0 DEADHO CCOc1ccc(OCCN2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)cc1 ZINC000931428043 694392276 /nfs/dbraw/zinc/39/22/76/694392276.db2.gz VESXMXXKGSQWAM-JKSUJKDBSA-N 1 3 304.434 2.348 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001038237600 690751526 /nfs/dbraw/zinc/75/15/26/690751526.db2.gz DLZMWVDLARSURI-IRXDYDNUSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001038237600 690751528 /nfs/dbraw/zinc/75/15/28/690751528.db2.gz DLZMWVDLARSURI-IRXDYDNUSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001038237598 690752199 /nfs/dbraw/zinc/75/21/99/690752199.db2.gz DLZMWVDLARSURI-DLBZAZTESA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001038237598 690752204 /nfs/dbraw/zinc/75/22/04/690752204.db2.gz DLZMWVDLARSURI-DLBZAZTESA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCC1 ZINC001038239658 690752821 /nfs/dbraw/zinc/75/28/21/690752821.db2.gz MWARYVRRSGCTFS-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CCCC1 ZINC001038239658 690752825 /nfs/dbraw/zinc/75/28/25/690752825.db2.gz MWARYVRRSGCTFS-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1CCC1CC1 ZINC001038445963 690826659 /nfs/dbraw/zinc/82/66/59/690826659.db2.gz WPPVZSFCZOLHEG-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1CCC1CC1 ZINC001038445963 690826664 /nfs/dbraw/zinc/82/66/64/690826664.db2.gz WPPVZSFCZOLHEG-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N1CCN(CCC[NH2+][C@@H]2CCC[C@]23CCCO3)CC1 ZINC000880505859 690912885 /nfs/dbraw/zinc/91/28/85/690912885.db2.gz OLEHRTUYCNYOEY-MSOLQXFVSA-N 1 3 309.498 2.094 20 0 DEADHO Cc1ccc2ncc(CN3CCC(O)(C[NH+](C)C)CC3)cc2c1 ZINC000931480597 694409005 /nfs/dbraw/zinc/40/90/05/694409005.db2.gz FWXCTBWFZYEUKO-UHFFFAOYSA-N 1 3 313.445 2.432 20 0 DEADHO CC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001039159600 691035071 /nfs/dbraw/zinc/03/50/71/691035071.db2.gz SAWKGEDGWVKMHB-KRWDZBQOSA-N 1 3 321.509 2.299 20 0 DEADHO CC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001039159600 691035076 /nfs/dbraw/zinc/03/50/76/691035076.db2.gz SAWKGEDGWVKMHB-KRWDZBQOSA-N 1 3 321.509 2.299 20 0 DEADHO CC[N@H+](CC1CC1)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001039486421 691118003 /nfs/dbraw/zinc/11/80/03/691118003.db2.gz JJWOWBMWOAKKPR-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@@H+](CC1CC1)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001039486421 691118004 /nfs/dbraw/zinc/11/80/04/691118004.db2.gz JJWOWBMWOAKKPR-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+](CC1CC1)C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001039489169 691118060 /nfs/dbraw/zinc/11/80/60/691118060.db2.gz OERRCCBXLBFIRB-OAHLLOKOSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@@H+](CC1CC1)C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001039489169 691118061 /nfs/dbraw/zinc/11/80/61/691118061.db2.gz OERRCCBXLBFIRB-OAHLLOKOSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040240753 691219682 /nfs/dbraw/zinc/21/96/82/691219682.db2.gz IRBIPTJPMRTHQM-IBGZPJMESA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[N@H+]1CCC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040240753 691219685 /nfs/dbraw/zinc/21/96/85/691219685.db2.gz IRBIPTJPMRTHQM-IBGZPJMESA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CC(C)C)C2)N(C)C ZINC001040399969 691242373 /nfs/dbraw/zinc/24/23/73/691242373.db2.gz QNIZDHZXSDBKQI-FUHWJXTLSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC(C)C)C2)N(C)C ZINC001040399969 691242374 /nfs/dbraw/zinc/24/23/74/691242374.db2.gz QNIZDHZXSDBKQI-FUHWJXTLSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001040397143 691242394 /nfs/dbraw/zinc/24/23/94/691242394.db2.gz YBSFSGADRHMHFH-FUHWJXTLSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001040397143 691242396 /nfs/dbraw/zinc/24/23/96/691242396.db2.gz YBSFSGADRHMHFH-FUHWJXTLSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H](F)CC[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040424415 691246895 /nfs/dbraw/zinc/24/68/95/691246895.db2.gz ZOERJABBFFTAIE-YOEHRIQHSA-N 1 3 322.428 2.015 20 0 DEADHO C[C@H](F)CC[N@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040424415 691246898 /nfs/dbraw/zinc/24/68/98/691246898.db2.gz ZOERJABBFFTAIE-YOEHRIQHSA-N 1 3 322.428 2.015 20 0 DEADHO CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040464734 691251323 /nfs/dbraw/zinc/25/13/23/691251323.db2.gz QHKIBJDPUGTYBV-GOSISDBHSA-N 1 3 307.482 2.053 20 0 DEADHO CC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040464734 691251324 /nfs/dbraw/zinc/25/13/24/691251324.db2.gz QHKIBJDPUGTYBV-GOSISDBHSA-N 1 3 307.482 2.053 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC2(C1)CC[NH+](C(C)C)CC2)N(C)C ZINC001040734801 691283595 /nfs/dbraw/zinc/28/35/95/691283595.db2.gz APVVCRAMHSLLIW-INIZCTEOSA-N 1 3 309.498 2.296 20 0 DEADHO CC[NH+](CC)CC[C@H](CO)N[C@H]1CCc2cccnc2CC1 ZINC000883159963 691444292 /nfs/dbraw/zinc/44/42/92/691444292.db2.gz AYLGOIHIFDVGDF-DLBZAZTESA-N 1 3 305.466 2.011 20 0 DEADHO C[N@@H+]1CC[C@H](NC[C@H]2CCC3(CCOCC3)CO2)CC1(C)C ZINC000883253060 691465861 /nfs/dbraw/zinc/46/58/61/691465861.db2.gz HDEJXYLBXUGYJU-JKSUJKDBSA-N 1 3 310.482 2.425 20 0 DEADHO C[N@H+]1CC[C@H](NC[C@H]2CCC3(CCOCC3)CO2)CC1(C)C ZINC000883253060 691465863 /nfs/dbraw/zinc/46/58/63/691465863.db2.gz HDEJXYLBXUGYJU-JKSUJKDBSA-N 1 3 310.482 2.425 20 0 DEADHO CC(C)(C)[C@@]1(CN)CC[N@H+](C[C@H]2CCC3(CCOCC3)O2)C1 ZINC000883438829 691510107 /nfs/dbraw/zinc/51/01/07/691510107.db2.gz DCVQNGNMDQDFPX-NVXWUHKLSA-N 1 3 310.482 2.412 20 0 DEADHO CC(C)(C)[C@@]1(CN)CC[N@@H+](C[C@H]2CCC3(CCOCC3)O2)C1 ZINC000883438829 691510111 /nfs/dbraw/zinc/51/01/11/691510111.db2.gz DCVQNGNMDQDFPX-NVXWUHKLSA-N 1 3 310.482 2.412 20 0 DEADHO COCC[C@@H](N)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000884185831 691677044 /nfs/dbraw/zinc/67/70/44/691677044.db2.gz IZIZWRRNUGILLF-WMLDXEAASA-N 1 3 319.449 2.363 20 0 DEADHO COCC[C@@H](N)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000884185831 691677048 /nfs/dbraw/zinc/67/70/48/691677048.db2.gz IZIZWRRNUGILLF-WMLDXEAASA-N 1 3 319.449 2.363 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)[C@H](N)CC1CC1)Cc1ccccc1 ZINC000884188443 691677838 /nfs/dbraw/zinc/67/78/38/691677838.db2.gz IFDXYXYQVJMOTR-ZWKOTPCHSA-N 1 3 317.477 2.183 20 0 DEADHO [NH3+][C@H](CC1CC1)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000884189697 691678019 /nfs/dbraw/zinc/67/80/19/691678019.db2.gz LCUXKNUWQAEPCG-QZTJIDSGSA-N 1 3 315.461 2.457 20 0 DEADHO [NH3+][C@H](CC1CC1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000884189496 691678423 /nfs/dbraw/zinc/67/84/23/691678423.db2.gz HDQCAUFXZJDEDK-IAGOWNOFSA-N 1 3 301.434 2.067 20 0 DEADHO N[C@H](CC1CC1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000884189496 691678425 /nfs/dbraw/zinc/67/84/25/691678425.db2.gz HDQCAUFXZJDEDK-IAGOWNOFSA-N 1 3 301.434 2.067 20 0 DEADHO N[C@H](CC1CC1)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000884210623 691683529 /nfs/dbraw/zinc/68/35/29/691683529.db2.gz FYZAHHBYISPWJJ-DLBZAZTESA-N 1 3 307.482 2.228 20 0 DEADHO Cc1ccc(NC(=O)[C@H](N)CC2CC2)c(OCC[NH+](C)C)c1 ZINC000884223176 691686026 /nfs/dbraw/zinc/68/60/26/691686026.db2.gz JXWDIJDOQQJROV-CQSZACIVSA-N 1 3 305.422 2.001 20 0 DEADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)C1CN(CC2CCCCCC2)C1 ZINC001043883441 691746069 /nfs/dbraw/zinc/74/60/69/691746069.db2.gz XWRWPZAPENKNFH-QAPCUYQASA-N 1 3 321.509 2.297 20 0 DEADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CN(CC2CCCCCC2)C1 ZINC001043883441 691746072 /nfs/dbraw/zinc/74/60/72/691746072.db2.gz XWRWPZAPENKNFH-QAPCUYQASA-N 1 3 321.509 2.297 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CCC3CC3)C[C@H]2C)CC1 ZINC001044793363 691888152 /nfs/dbraw/zinc/88/81/52/691888152.db2.gz OXKOGYOKTZMELU-SJLPKXTDSA-N 1 3 321.509 2.488 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001044959656 691919821 /nfs/dbraw/zinc/91/98/21/691919821.db2.gz LBFTUSSSBLMSSC-IRXDYDNUSA-N 1 3 319.493 2.242 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001044959794 691920654 /nfs/dbraw/zinc/92/06/54/691920654.db2.gz MXRDFAVGXHOQBD-DLBZAZTESA-N 1 3 305.466 2.162 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1)C1CC1 ZINC001045068789 691935200 /nfs/dbraw/zinc/93/52/00/691935200.db2.gz QZWGIESAUNDZGR-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001045201185 691951400 /nfs/dbraw/zinc/95/14/00/691951400.db2.gz WNJBHCVMGGHOSY-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001045218351 691953010 /nfs/dbraw/zinc/95/30/10/691953010.db2.gz NZIVQJQOGGPODS-KRWDZBQOSA-N 1 3 312.417 2.041 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CC1 ZINC001045229040 691954839 /nfs/dbraw/zinc/95/48/39/691954839.db2.gz GRRLFPVFFGSUKJ-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@]2(CC[N@H+](CC3CC3)C2)C1)N(C)C ZINC001045947552 692059691 /nfs/dbraw/zinc/05/96/91/692059691.db2.gz MHLKUBWYYFETHN-IEBWSBKVSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@]2(CC[N@@H+](CC3CC3)C2)C1)N(C)C ZINC001045947552 692059694 /nfs/dbraw/zinc/05/96/94/692059694.db2.gz MHLKUBWYYFETHN-IEBWSBKVSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001045967061 692064236 /nfs/dbraw/zinc/06/42/36/692064236.db2.gz MDLKPPZZZDGQPC-WMZOPIPTSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001045967061 692064239 /nfs/dbraw/zinc/06/42/39/692064239.db2.gz MDLKPPZZZDGQPC-WMZOPIPTSA-N 1 3 309.498 2.441 20 0 DEADHO [NH3+][C@@H]1CCO[C@H](C2CCN(CCSC(F)(F)F)CC2)C1 ZINC000886840223 692208073 /nfs/dbraw/zinc/20/80/73/692208073.db2.gz XDTIOKMVYUMVGM-NEPJUHHUSA-N 1 3 312.401 2.458 20 0 DEADHO CCC(CC)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001049037998 692749276 /nfs/dbraw/zinc/74/92/76/692749276.db2.gz CVAFIUYYPYUQBB-FGTMMUONSA-N 1 3 323.525 2.399 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001049037998 692749280 /nfs/dbraw/zinc/74/92/80/692749280.db2.gz CVAFIUYYPYUQBB-FGTMMUONSA-N 1 3 323.525 2.399 20 0 DEADHO CC[C@@H](C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@H]2C1 ZINC001049233713 692796645 /nfs/dbraw/zinc/79/66/45/692796645.db2.gz RCCFLVAAXWHESN-BDXSIMOUSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@@H](C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@H]2C1 ZINC001049233713 692796646 /nfs/dbraw/zinc/79/66/46/692796646.db2.gz RCCFLVAAXWHESN-BDXSIMOUSA-N 1 3 321.509 2.297 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CC1 ZINC001049508546 692904927 /nfs/dbraw/zinc/90/49/27/692904927.db2.gz QFLLBEGHIYBDLL-FGTMMUONSA-N 1 3 319.493 2.336 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CC1 ZINC001049508546 692904929 /nfs/dbraw/zinc/90/49/29/692904929.db2.gz QFLLBEGHIYBDLL-FGTMMUONSA-N 1 3 319.493 2.336 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CC1)N(C)C ZINC001049706470 692970185 /nfs/dbraw/zinc/97/01/85/692970185.db2.gz ZGWGWJGRWNFNJJ-GVDBMIGSSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CC1)N(C)C ZINC001049706470 692970188 /nfs/dbraw/zinc/97/01/88/692970188.db2.gz ZGWGWJGRWNFNJJ-GVDBMIGSSA-N 1 3 307.482 2.048 20 0 DEADHO CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)N1CCCCCC1 ZINC001049768414 692994304 /nfs/dbraw/zinc/99/43/04/692994304.db2.gz WLAUYRAJTKBPOP-YESZJQIVSA-N 1 3 307.482 2.336 20 0 DEADHO CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)N1CCCCCC1 ZINC001049768414 692994309 /nfs/dbraw/zinc/99/43/09/692994309.db2.gz WLAUYRAJTKBPOP-YESZJQIVSA-N 1 3 307.482 2.336 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001050662662 693226958 /nfs/dbraw/zinc/22/69/58/693226958.db2.gz LKXJJGPSEMXVCI-SJORKVTESA-N 1 3 321.509 2.299 20 0 DEADHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H]2CCN(C)[C@H]2C)CC1 ZINC000925319140 693256320 /nfs/dbraw/zinc/25/63/20/693256320.db2.gz IJWQZWAKTBIRHA-DOTOQJQBSA-N 1 3 324.513 2.233 20 0 DEADHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CCN(C)[C@H]2C)CC1 ZINC000925319140 693256324 /nfs/dbraw/zinc/25/63/24/693256324.db2.gz IJWQZWAKTBIRHA-DOTOQJQBSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H](C[NH2+][C@@H]1C[C@H](N)C12CCC2)N1CCc2sccc2C1 ZINC000925494092 693282278 /nfs/dbraw/zinc/28/22/78/693282278.db2.gz SWVUFGXAJAFWGX-UHOFOFEASA-N 1 3 305.491 2.354 20 0 DEADHO C[C@H]1[NH2+]CCC[C@@H]1NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000925510423 693286293 /nfs/dbraw/zinc/28/62/93/693286293.db2.gz WJHXXMDQIUEDHF-QAPCUYQASA-N 1 3 315.461 2.269 20 0 DEADHO CC1(C)C[C@@H](NCCc2nnc3n2CCCCC3)C[C@@H]([NH3+])C1 ZINC000925533893 693290719 /nfs/dbraw/zinc/29/07/19/693290719.db2.gz PVAHFZMISNKCQP-KGLIPLIRSA-N 1 3 305.470 2.043 20 0 DEADHO CC1(C)[C@H](NCCc2cnc(C3CC3)nc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925624744 693311252 /nfs/dbraw/zinc/31/12/52/693311252.db2.gz BCSBPVAVQFFUEY-OWCLPIDISA-N 1 3 300.450 2.263 20 0 DEADHO Cn1c2cc(CN[C@H]3C[C@@H]([NH3+])CC(C)(C)C3)ccc2oc1=O ZINC000925719651 693329488 /nfs/dbraw/zinc/32/94/88/693329488.db2.gz UKVQELVBULLOTA-OLZOCXBDSA-N 1 3 303.406 2.127 20 0 DEADHO [NH3+][C@H]1C[C@@H](NC[C@@H]2CC[C@H](c3nc(C4CC4)no3)O2)C12CCC2 ZINC000925722569 693330053 /nfs/dbraw/zinc/33/00/53/693330053.db2.gz WZAPDPZFYZDHGQ-RFQIPJPRSA-N 1 3 318.421 2.027 20 0 DEADHO N[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H](c3nc(C4CC4)no3)O2)C12CCC2 ZINC000925722569 693330055 /nfs/dbraw/zinc/33/00/55/693330055.db2.gz WZAPDPZFYZDHGQ-RFQIPJPRSA-N 1 3 318.421 2.027 20 0 DEADHO CC1(C)C[C@@H](NCc2ccc(N3CCNC3=O)cc2)C[C@@H]([NH3+])C1 ZINC000925758633 693336884 /nfs/dbraw/zinc/33/68/84/693336884.db2.gz FXIOGCLPTRXRAR-CABCVRRESA-N 1 3 316.449 2.212 20 0 DEADHO C(N[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCC2(CCC2)CO1 ZINC000925773866 693339349 /nfs/dbraw/zinc/33/93/49/693339349.db2.gz HMQJPBUMKRRARN-LTIDMASMSA-N 1 3 308.466 2.082 20 0 DEADHO C[C@@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc(F)c1 ZINC000925854063 693354147 /nfs/dbraw/zinc/35/41/47/693354147.db2.gz KBUSZGQYYGEQBM-IUODEOHRSA-N 1 3 306.381 2.162 20 0 DEADHO COc1ccsc1[C@H](C)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925858070 693355926 /nfs/dbraw/zinc/35/59/26/693355926.db2.gz RYKAOEJSTGUZFH-RYUDHWBXSA-N 1 3 324.446 2.093 20 0 DEADHO c1cnc2c(c1)CCC[C@@H]2N[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000925871890 693357749 /nfs/dbraw/zinc/35/77/49/693357749.db2.gz LDDWNQOWYFFSKQ-WCXIOVBPSA-N 1 3 301.434 2.206 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CC2)CC1 ZINC001052376542 693518599 /nfs/dbraw/zinc/51/85/99/693518599.db2.gz HMECICOVHWZZGW-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CC2)CC1 ZINC001052376542 693518604 /nfs/dbraw/zinc/51/86/04/693518604.db2.gz HMECICOVHWZZGW-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)=CC[N@H+]1CCC[C@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001052713323 693601950 /nfs/dbraw/zinc/60/19/50/693601950.db2.gz UZQFTBJHHLSLRO-SJORKVTESA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001052713323 693601952 /nfs/dbraw/zinc/60/19/52/693601952.db2.gz UZQFTBJHHLSLRO-SJORKVTESA-N 1 3 307.482 2.408 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC001052896379 693643649 /nfs/dbraw/zinc/64/36/49/693643649.db2.gz BHDFCRLMOYJVFC-MRXNPFEDSA-N 1 3 318.465 2.422 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC001052896379 693643651 /nfs/dbraw/zinc/64/36/51/693643651.db2.gz BHDFCRLMOYJVFC-MRXNPFEDSA-N 1 3 318.465 2.422 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053037903 693674401 /nfs/dbraw/zinc/67/44/01/693674401.db2.gz CJFZWZLSJNEROW-HZPDHXFCSA-N 1 3 318.465 2.311 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053037903 693674404 /nfs/dbraw/zinc/67/44/04/693674404.db2.gz CJFZWZLSJNEROW-HZPDHXFCSA-N 1 3 318.465 2.311 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@H+](CC2CC2)C1 ZINC001402214256 1162291904 /nfs/dbraw/zinc/29/19/04/1162291904.db2.gz RNBXEMHMRARLIT-PKOBYXMFSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](CC2CC2)C1 ZINC001402214256 1162291907 /nfs/dbraw/zinc/29/19/07/1162291907.db2.gz RNBXEMHMRARLIT-PKOBYXMFSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)=CCN1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001332197399 1149833114 /nfs/dbraw/zinc/83/31/14/1149833114.db2.gz BJMRZGKUENMCEB-JKSUJKDBSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)CC[C@H](O)C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC001335352432 1150399056 /nfs/dbraw/zinc/39/90/56/1150399056.db2.gz WEVICRKYJOGZBS-ULQDDVLXSA-N 1 3 300.487 2.263 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2ccc(F)cc2)CCC1 ZINC001402591051 1162403122 /nfs/dbraw/zinc/40/31/22/1162403122.db2.gz PMLNLHVTGQHVHE-UHFFFAOYSA-N 1 3 321.440 2.296 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+](CC2CCC2)CC1)N(C)C ZINC001402636029 1162421260 /nfs/dbraw/zinc/42/12/60/1162421260.db2.gz YYFYTCJTERLEDN-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CCC[N@@H+](CC2CCC2)CC1)N(C)C ZINC001402636029 1162421262 /nfs/dbraw/zinc/42/12/62/1162421262.db2.gz YYFYTCJTERLEDN-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO Cc1cccc(CCCN2CC[C@H]2CNC(=O)CC[NH+](C)C)c1 ZINC001380022776 1152733119 /nfs/dbraw/zinc/73/31/19/1152733119.db2.gz YVTBLVLQMHKGEH-SFHVURJKSA-N 1 3 317.477 2.070 20 0 DEADHO CCCC[NH+]1CCC([C@H](C)NC(=O)Cc2nc[nH]c2C)CC1 ZINC001380146922 1152756977 /nfs/dbraw/zinc/75/69/77/1152756977.db2.gz WAXCRIZGSSHUJR-ZDUSSCGKSA-N 1 3 306.454 2.277 20 0 DEADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]CCc2ccccc2)C1 ZINC001380175343 1152762717 /nfs/dbraw/zinc/76/27/17/1152762717.db2.gz ANRXJUVRGKTXCL-UHFFFAOYSA-N 1 3 317.477 2.150 20 0 DEADHO CCCC[NH+]1CCC(C2(NC(=O)[C@H](CC)N(C)C)CC2)CC1 ZINC001380185803 1152764059 /nfs/dbraw/zinc/76/40/59/1152764059.db2.gz VXWXKEKSPSHEEJ-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC2(C)CC[NH+](CC3CCCC3)CC2)C1 ZINC001380304249 1152785207 /nfs/dbraw/zinc/78/52/07/1152785207.db2.gz FJDUAPOJJQELLY-MRXNPFEDSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)C[C@H](C)C[N@H+]1C[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001380707086 1152847621 /nfs/dbraw/zinc/84/76/21/1152847621.db2.gz WLJUCYTVIATRSQ-OKZBNKHCSA-N 1 3 323.525 2.399 20 0 DEADHO CC(C)C[C@H](C)C[N@@H+]1C[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001380707086 1152847622 /nfs/dbraw/zinc/84/76/22/1152847622.db2.gz WLJUCYTVIATRSQ-OKZBNKHCSA-N 1 3 323.525 2.399 20 0 DEADHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccccc1 ZINC001381212881 1152953614 /nfs/dbraw/zinc/95/36/14/1152953614.db2.gz COAGBEFPYGCUFD-CVEARBPZSA-N 1 3 303.450 2.013 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001362523845 1152955522 /nfs/dbraw/zinc/95/55/22/1152955522.db2.gz DXUCPUFYBVKILH-SJORKVTESA-N 1 3 307.482 2.338 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001362523845 1152955531 /nfs/dbraw/zinc/95/55/31/1152955531.db2.gz DXUCPUFYBVKILH-SJORKVTESA-N 1 3 307.482 2.338 20 0 DEADHO C[C@@H]([NH2+]Cc1ccc(F)cc1)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001381390705 1153036697 /nfs/dbraw/zinc/03/66/97/1153036697.db2.gz NBAJAJKZCFFQRQ-KGLIPLIRSA-N 1 3 321.440 2.293 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)CCc1cccs1 ZINC001381527621 1153110676 /nfs/dbraw/zinc/11/06/76/1153110676.db2.gz GGWMMMMJGZUFCG-AWEZNQCLSA-N 1 3 323.506 2.211 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)CCc1cccs1 ZINC001381527621 1153110679 /nfs/dbraw/zinc/11/06/79/1153110679.db2.gz GGWMMMMJGZUFCG-AWEZNQCLSA-N 1 3 323.506 2.211 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1C ZINC001381635193 1153164361 /nfs/dbraw/zinc/16/43/61/1153164361.db2.gz YHIOLUMUWFHMRW-MRXNPFEDSA-N 1 3 305.466 2.273 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1C ZINC001381635193 1153164364 /nfs/dbraw/zinc/16/43/64/1153164364.db2.gz YHIOLUMUWFHMRW-MRXNPFEDSA-N 1 3 305.466 2.273 20 0 DEADHO CCN1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC001362980073 1153170512 /nfs/dbraw/zinc/17/05/12/1153170512.db2.gz VDDUUXXSVNIFCK-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@@H]2C1 ZINC001381909244 1153270892 /nfs/dbraw/zinc/27/08/92/1153270892.db2.gz ZIEMLIQYXIITEC-PHZGNYQRSA-N 1 3 309.498 2.058 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@@H]2C1 ZINC001381909244 1153270895 /nfs/dbraw/zinc/27/08/95/1153270895.db2.gz ZIEMLIQYXIITEC-PHZGNYQRSA-N 1 3 309.498 2.058 20 0 DEADHO Cc1ccc(CC[NH2+][C@@H](C)CN(C)C(=O)CN(C)C(C)C)cc1 ZINC001382169820 1153387220 /nfs/dbraw/zinc/38/72/20/1153387220.db2.gz XBRSJOTZCQHYFA-KRWDZBQOSA-N 1 3 319.493 2.314 20 0 DEADHO COCC1(C[NH2+]C2CCC(C)(N3CCOCC3)CC2)CCC1 ZINC001363571835 1153465834 /nfs/dbraw/zinc/46/58/34/1153465834.db2.gz BLLWAOPQNIEQPP-UHFFFAOYSA-N 1 3 310.482 2.426 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CC[NH+](CCC2CC2)CC1 ZINC001382549626 1153468606 /nfs/dbraw/zinc/46/86/06/1153468606.db2.gz GWDKQVCCWSBWMD-OAHLLOKOSA-N 1 3 321.509 2.488 20 0 DEADHO CC[NH+]1CCC(CN2CCN(Cc3ccc(O)cc3)CC2)CC1 ZINC001363938527 1153731741 /nfs/dbraw/zinc/73/17/41/1153731741.db2.gz HORCPEKUKZNGBV-UHFFFAOYSA-N 1 3 317.477 2.242 20 0 DEADHO CN(C(=O)CC[NH+](C)C)C1CCN(Cc2ccsc2)CC1 ZINC001389330469 1155311214 /nfs/dbraw/zinc/31/12/14/1155311214.db2.gz UGXDCRJNOZODPX-UHFFFAOYSA-N 1 3 309.479 2.123 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2)C1)N(C)C ZINC001390009834 1155497792 /nfs/dbraw/zinc/49/77/92/1155497792.db2.gz KFOKRFGAGPCVOC-IXDOHACOSA-N 1 3 303.450 2.072 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001390037442 1155506590 /nfs/dbraw/zinc/50/65/90/1155506590.db2.gz IKSHSZSPGUAQDI-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001390037442 1155506593 /nfs/dbraw/zinc/50/65/93/1155506593.db2.gz IKSHSZSPGUAQDI-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@@H]1CCc2c1cccc2F ZINC001403102793 1162715709 /nfs/dbraw/zinc/71/57/09/1162715709.db2.gz NJNZAQPOMIZBQZ-SUMWQHHRSA-N 1 3 321.440 2.249 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001390592034 1155809721 /nfs/dbraw/zinc/80/97/21/1155809721.db2.gz ABBAJDJFNOMZHQ-CQSZACIVSA-N 1 3 309.479 2.026 20 0 DEADHO Cc1ccc(F)cc1C[NH2+][C@@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001371361780 1155833838 /nfs/dbraw/zinc/83/38/38/1155833838.db2.gz HITKIJNOECKPTH-HIFRSBDPSA-N 1 3 321.440 2.070 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCC(C)C)C1 ZINC001371657276 1155896602 /nfs/dbraw/zinc/89/66/02/1155896602.db2.gz GLYJJJDXQVPGNC-LSDHHAIUSA-N 1 3 306.454 2.324 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccns2)C1 ZINC001371659780 1155896905 /nfs/dbraw/zinc/89/69/05/1155896905.db2.gz OTHAYKQOLQXBQN-ZIAGYGMSSA-N 1 3 324.494 2.000 20 0 DEADHO C[C@H](C(=O)NC[C@@H]1CC[N@H+](CCCF)C1)N1CCCCCC1 ZINC001391099291 1156112978 /nfs/dbraw/zinc/11/29/78/1156112978.db2.gz UKOPEQHEWJLLHV-CVEARBPZSA-N 1 3 313.461 2.049 20 0 DEADHO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](CCCF)C1)N1CCCCCC1 ZINC001391099291 1156112985 /nfs/dbraw/zinc/11/29/85/1156112985.db2.gz UKOPEQHEWJLLHV-CVEARBPZSA-N 1 3 313.461 2.049 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@@H]1CCc2c1cccc2F)N(C)C ZINC001391220118 1156260880 /nfs/dbraw/zinc/26/08/80/1156260880.db2.gz OVROSSCTQWEMES-SJORKVTESA-N 1 3 321.440 2.201 20 0 DEADHO CCCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)[C@H]1CCN(CC)C1 ZINC001391275217 1156305700 /nfs/dbraw/zinc/30/57/00/1156305700.db2.gz OIYUWPILRLWQCG-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)[C@H]1CCN(CC)C1 ZINC001391275217 1156305705 /nfs/dbraw/zinc/30/57/05/1156305705.db2.gz OIYUWPILRLWQCG-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO CC[N@H+](CCNC(=O)[C@H]1CCCN1C)Cc1ccc(Cl)cc1 ZINC001372282819 1156340675 /nfs/dbraw/zinc/34/06/75/1156340675.db2.gz HZDDRRWPZULRHZ-MRXNPFEDSA-N 1 3 323.868 2.372 20 0 DEADHO CC[N@@H+](CCNC(=O)[C@H]1CCCN1C)Cc1ccc(Cl)cc1 ZINC001372282819 1156340680 /nfs/dbraw/zinc/34/06/80/1156340680.db2.gz HZDDRRWPZULRHZ-MRXNPFEDSA-N 1 3 323.868 2.372 20 0 DEADHO CC(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001391359121 1156356991 /nfs/dbraw/zinc/35/69/91/1156356991.db2.gz ZIQGXSKGYRECFZ-IRXDYDNUSA-N 1 3 311.514 2.399 20 0 DEADHO CC(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001391359121 1156356996 /nfs/dbraw/zinc/35/69/96/1156356996.db2.gz ZIQGXSKGYRECFZ-IRXDYDNUSA-N 1 3 311.514 2.399 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2csc(C)c2)C1)N(C)C ZINC001372664179 1156651782 /nfs/dbraw/zinc/65/17/82/1156651782.db2.gz UZFMKVNFDYAWDO-HOCLYGCPSA-N 1 3 323.506 2.335 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2csc(C)c2)C1)N(C)C ZINC001372664179 1156651816 /nfs/dbraw/zinc/65/18/16/1156651816.db2.gz UZFMKVNFDYAWDO-HOCLYGCPSA-N 1 3 323.506 2.335 20 0 DEADHO C[C@H](CNC(=O)CC[NH+](C)C)N(C)Cc1cc2ccccc2o1 ZINC001403175615 1162807835 /nfs/dbraw/zinc/80/78/35/1162807835.db2.gz ZQBRGRMKLXWFHS-CQSZACIVSA-N 1 3 317.433 2.321 20 0 DEADHO CC(C)C[NH2+][C@@H](CNC(=O)CN1CC[C@H](C)C1)c1ccccc1 ZINC001373031548 1156842198 /nfs/dbraw/zinc/84/21/98/1156842198.db2.gz HAVZCAXWFJPQHA-WMZOPIPTSA-N 1 3 317.477 2.431 20 0 DEADHO Cc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCN2C)c1 ZINC001392048620 1156856964 /nfs/dbraw/zinc/85/69/64/1156856964.db2.gz HVKISOMZIBNAOF-DOTOQJQBSA-N 1 3 303.450 2.026 20 0 DEADHO CCc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001392053712 1156858335 /nfs/dbraw/zinc/85/83/35/1156858335.db2.gz VUVWOVYFVFJSBX-YJBOKZPZSA-N 1 3 317.477 2.280 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)CC[N@H+](C)CC1CCCC1 ZINC001392331768 1157025354 /nfs/dbraw/zinc/02/53/54/1157025354.db2.gz LFJDSHQBKCKVJJ-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)CC[N@@H+](C)CC1CCCC1 ZINC001392331768 1157025360 /nfs/dbraw/zinc/02/53/60/1157025360.db2.gz LFJDSHQBKCKVJJ-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1CCCN(Cc2ccc(C)cc2)C1 ZINC001373401988 1157030985 /nfs/dbraw/zinc/03/09/85/1157030985.db2.gz CZFPMYZZFYJFKV-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCCN(Cc2ccc(C)cc2)C1 ZINC001373401988 1157030991 /nfs/dbraw/zinc/03/09/91/1157030991.db2.gz CZFPMYZZFYJFKV-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001392483292 1157069497 /nfs/dbraw/zinc/06/94/97/1157069497.db2.gz FWHXZSAQIDKELD-PBHICJAKSA-N 1 3 323.456 2.315 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+][C@H]1CCc2ccccc21 ZINC001392538273 1157098755 /nfs/dbraw/zinc/09/87/55/1157098755.db2.gz WMZQTSKZOQJOOQ-PBHICJAKSA-N 1 3 303.450 2.108 20 0 DEADHO CCc1ccccc1C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001392611197 1157209410 /nfs/dbraw/zinc/20/94/10/1157209410.db2.gz XPHVSKSPDJKNGT-YJBOKZPZSA-N 1 3 319.493 2.430 20 0 DEADHO CC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc1ccc(C)nc1C)N(C)C ZINC001373758038 1157344090 /nfs/dbraw/zinc/34/40/90/1157344090.db2.gz AIYORHBINJRDNQ-DLBZAZTESA-N 1 3 320.481 2.023 20 0 DEADHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccccc1C ZINC001373797925 1157371744 /nfs/dbraw/zinc/37/17/44/1157371744.db2.gz OIANQAXUJRNJAQ-YJBOKZPZSA-N 1 3 317.477 2.321 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(C)cc1)C1CC1)N(C)C ZINC001392784039 1157410986 /nfs/dbraw/zinc/41/09/86/1157410986.db2.gz LIUPRBXXQXVXAU-ZWKOTPCHSA-N 1 3 317.477 2.320 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@]1(C[NH2+]CC2CC2)CCCC[C@@H]1C ZINC001373903566 1157449326 /nfs/dbraw/zinc/44/93/26/1157449326.db2.gz OFTHFHSHPOVCOB-UGSOOPFHSA-N 1 3 318.465 2.325 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@]1(C[NH2+]CC2CC2)CCCC[C@H]1C ZINC001373903564 1157450282 /nfs/dbraw/zinc/45/02/82/1157450282.db2.gz OFTHFHSHPOVCOB-FZKQIMNGSA-N 1 3 318.465 2.325 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1[C@H]1CC[N@@H+](C(C)C)C1 ZINC001392963917 1157570510 /nfs/dbraw/zinc/57/05/10/1157570510.db2.gz RULCQPSLLOSJDN-DLBZAZTESA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1[C@H]1CC[N@H+](C(C)C)C1 ZINC001392963917 1157570515 /nfs/dbraw/zinc/57/05/15/1157570515.db2.gz RULCQPSLLOSJDN-DLBZAZTESA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001392965091 1157571006 /nfs/dbraw/zinc/57/10/06/1157571006.db2.gz ONNROPMUCDSBRF-CQSZACIVSA-N 1 3 321.440 2.465 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)C[NH2+][C@@H]1CCc2ccccc21 ZINC001374106517 1157629476 /nfs/dbraw/zinc/62/94/76/1157629476.db2.gz XUIGADMWHQOPRJ-MAUKXSAKSA-N 1 3 317.477 2.358 20 0 DEADHO CC(C)[NH2+]C[C@@H](C)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001374284926 1157802086 /nfs/dbraw/zinc/80/20/86/1157802086.db2.gz WGZOEQCNRIEPDS-CJNGLKHVSA-N 1 3 301.450 2.044 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[C@H](C[NH2+]CC(C)C)CC1 ZINC001393404039 1157822189 /nfs/dbraw/zinc/82/21/89/1157822189.db2.gz MLARBLLKKDMCBU-WKILWMFISA-N 1 3 320.481 2.429 20 0 DEADHO CC[C@H](C(=O)N(CC)CC[NH2+][C@@H]1CCc2ccccc21)N(C)C ZINC001374705928 1157971256 /nfs/dbraw/zinc/97/12/56/1157971256.db2.gz RZAZNFWINWYLRG-QZTJIDSGSA-N 1 3 317.477 2.452 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001393830452 1158014628 /nfs/dbraw/zinc/01/46/28/1158014628.db2.gz XEAYHKLPUJLYCQ-LBPRGKRZSA-N 1 3 306.454 2.181 20 0 DEADHO CC[C@H](C(=O)N(C)[C@@H](C[NH2+]Cc1ccccc1)C1CC1)N(C)C ZINC001403510973 1162919723 /nfs/dbraw/zinc/91/97/23/1162919723.db2.gz QXVDESUKXCVBGP-MSOLQXFVSA-N 1 3 317.477 2.353 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccccc1)C1CC1)N(C)C ZINC001375269167 1158419058 /nfs/dbraw/zinc/41/90/58/1158419058.db2.gz JLVUDVALFZHNCQ-DLBZAZTESA-N 1 3 303.450 2.011 20 0 DEADHO C[N@H+](CCC(C)(C)C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001394389058 1158471189 /nfs/dbraw/zinc/47/11/89/1158471189.db2.gz DPRVTTDXWZLERY-UHFFFAOYSA-N 1 3 306.454 2.311 20 0 DEADHO C[N@@H+](CCC(C)(C)C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001394389058 1158471219 /nfs/dbraw/zinc/47/12/19/1158471219.db2.gz DPRVTTDXWZLERY-UHFFFAOYSA-N 1 3 306.454 2.311 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@H]1CCN1[C@@H]1CCCc2ccccc21 ZINC001375341106 1158513241 /nfs/dbraw/zinc/51/32/41/1158513241.db2.gz OPQDHRYXBBZGDP-SJLPKXTDSA-N 1 3 315.461 2.206 20 0 DEADHO CC(C)N(C)CC(=O)N(C)[C@H](C[NH2+]Cc1ccccc1)C1CC1 ZINC001394440834 1158530648 /nfs/dbraw/zinc/53/06/48/1158530648.db2.gz LXAVJZHYDVKWLC-GOSISDBHSA-N 1 3 317.477 2.353 20 0 DEADHO C[C@@H]1C[C@H](NCc2ccsc2)CN1C(=O)CCC[NH+](C)C ZINC001394664254 1158658829 /nfs/dbraw/zinc/65/88/29/1158658829.db2.gz BIJVYBOCEFRDSW-HIFRSBDPSA-N 1 3 309.479 2.169 20 0 DEADHO CN(CC(=O)NCC1([NH2+]CC2CCCC2)CC1)CC(C)(C)C ZINC001375490184 1158755459 /nfs/dbraw/zinc/75/54/59/1158755459.db2.gz IPOVLQPORNCJEC-UHFFFAOYSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001375759272 1158863278 /nfs/dbraw/zinc/86/32/78/1158863278.db2.gz GFCOLSPINZWHOX-GDBMZVCRSA-N 1 3 306.454 2.215 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001376176635 1159193233 /nfs/dbraw/zinc/19/32/33/1159193233.db2.gz GDVRNJLGADNDSR-INIZCTEOSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1cccc(CN2CCCC[C@H]2CNC(=O)CC[NH+](C)C)c1 ZINC001376576791 1159564733 /nfs/dbraw/zinc/56/47/33/1159564733.db2.gz JZKKWMAOWMMZDR-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CCC1CCCCC1 ZINC001403608970 1163046122 /nfs/dbraw/zinc/04/61/22/1163046122.db2.gz USCLZTZYQZUWCX-CQSZACIVSA-N 1 3 306.454 2.359 20 0 DEADHO CN1CCC[C@H]1C(=O)NCC[N@H+](C)CCc1ccccc1Cl ZINC001377126366 1159930022 /nfs/dbraw/zinc/93/00/22/1159930022.db2.gz BWTOPJXQZBFMTC-INIZCTEOSA-N 1 3 323.868 2.025 20 0 DEADHO CN1CCC[C@H]1C(=O)NCC[N@@H+](C)CCc1ccccc1Cl ZINC001377126366 1159930042 /nfs/dbraw/zinc/93/00/42/1159930042.db2.gz BWTOPJXQZBFMTC-INIZCTEOSA-N 1 3 323.868 2.025 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001397092410 1159972739 /nfs/dbraw/zinc/97/27/39/1159972739.db2.gz MSGUYFYCNFXITD-GHBLHCJDSA-N 1 3 313.873 2.096 20 0 DEADHO C[C@H](c1ccccc1)N(C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001377151481 1159991252 /nfs/dbraw/zinc/99/12/52/1159991252.db2.gz FKDDGJQHYSMOAW-CRAIPNDOSA-N 1 3 315.461 2.137 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1ccccc1C ZINC001377162313 1160001344 /nfs/dbraw/zinc/00/13/44/1160001344.db2.gz IITNHSVPSTVMFP-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1ccccc1C ZINC001377162313 1160001354 /nfs/dbraw/zinc/00/13/54/1160001354.db2.gz IITNHSVPSTVMFP-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CC(C)[C@H](C(=O)NCC[N@H+](C)[C@H]1CCc2ccccc21)N(C)C ZINC001377254498 1160083819 /nfs/dbraw/zinc/08/38/19/1160083819.db2.gz JHGKWEXYCMEFLW-ZWKOTPCHSA-N 1 3 317.477 2.308 20 0 DEADHO CC(C)[C@H](C(=O)NCC[N@@H+](C)[C@H]1CCc2ccccc21)N(C)C ZINC001377254498 1160083830 /nfs/dbraw/zinc/08/38/30/1160083830.db2.gz JHGKWEXYCMEFLW-ZWKOTPCHSA-N 1 3 317.477 2.308 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]1C[C@H]([NH2+]C/C=C\Cl)C1 ZINC001397675883 1160394545 /nfs/dbraw/zinc/39/45/45/1160394545.db2.gz MSGUYFYCNFXITD-SQXMTGCHSA-N 1 3 313.873 2.096 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccsc2)C1)N(C)C ZINC001377466680 1160394644 /nfs/dbraw/zinc/39/46/44/1160394644.db2.gz IIPWDYNPQRBJLB-DZGCQCFKSA-N 1 3 309.479 2.026 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccsc2)C1)N(C)C ZINC001377466680 1160394650 /nfs/dbraw/zinc/39/46/50/1160394650.db2.gz IIPWDYNPQRBJLB-DZGCQCFKSA-N 1 3 309.479 2.026 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@H](C)c1ccc(F)cc1)N(C)C ZINC001377587111 1160567890 /nfs/dbraw/zinc/56/78/90/1160567890.db2.gz CTICPKSQWSODSL-CJNGLKHVSA-N 1 3 309.429 2.275 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2CC[C@H](C)F ZINC001377637316 1160637100 /nfs/dbraw/zinc/63/71/00/1160637100.db2.gz NBVDAOJOIZIUEA-HRCADAONSA-N 1 3 313.461 2.142 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2CC[C@H](C)F ZINC001377637316 1160637115 /nfs/dbraw/zinc/63/71/15/1160637115.db2.gz NBVDAOJOIZIUEA-HRCADAONSA-N 1 3 313.461 2.142 20 0 DEADHO C[N@H+](CCCC1CCC1)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001377766627 1160813319 /nfs/dbraw/zinc/81/33/19/1160813319.db2.gz LTUOSNMZWAHQFT-INIZCTEOSA-N 1 3 318.465 2.313 20 0 DEADHO C[N@@H+](CCCC1CCC1)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001377766627 1160813324 /nfs/dbraw/zinc/81/33/24/1160813324.db2.gz LTUOSNMZWAHQFT-INIZCTEOSA-N 1 3 318.465 2.313 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C1 ZINC001398252089 1160835889 /nfs/dbraw/zinc/83/58/89/1160835889.db2.gz IWOPKFZNEOXZLG-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C1 ZINC001398252089 1160835891 /nfs/dbraw/zinc/83/58/91/1160835891.db2.gz IWOPKFZNEOXZLG-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCC(C)C)C1 ZINC001398283409 1160843327 /nfs/dbraw/zinc/84/33/27/1160843327.db2.gz CPJKNBWSPCRKLC-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001398283409 1160843331 /nfs/dbraw/zinc/84/33/31/1160843331.db2.gz CPJKNBWSPCRKLC-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC1CCC1)C1CC1 ZINC001398405337 1160879155 /nfs/dbraw/zinc/87/91/55/1160879155.db2.gz JVGBUIKAVIXYJP-IAGOWNOFSA-N 1 3 307.482 2.144 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001398985568 1161177441 /nfs/dbraw/zinc/17/74/41/1161177441.db2.gz VHHFNWOTPYJOES-XJKSGUPXSA-N 1 3 309.429 2.069 20 0 DEADHO Cc1ccccc1[C@H](C)[N@@H+](C)CCNC(=O)CN(C)C(C)C ZINC001399651992 1161503084 /nfs/dbraw/zinc/50/30/84/1161503084.db2.gz BRBWPIHZSKMFSJ-INIZCTEOSA-N 1 3 305.466 2.444 20 0 DEADHO Cc1ccccc1[C@H](C)[N@H+](C)CCNC(=O)CN(C)C(C)C ZINC001399651992 1161503087 /nfs/dbraw/zinc/50/30/87/1161503087.db2.gz BRBWPIHZSKMFSJ-INIZCTEOSA-N 1 3 305.466 2.444 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)CC[NH2+][C@@H]1CCc2ccccc21)N(C)C ZINC001400068948 1161645686 /nfs/dbraw/zinc/64/56/86/1161645686.db2.gz AUNCMKCJXMSZGQ-MSOLQXFVSA-N 1 3 317.477 2.308 20 0 DEADHO Cc1ccccc1[C@H](C)N1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001400520865 1161761546 /nfs/dbraw/zinc/76/15/46/1161761546.db2.gz ARTFDIATNAIYRQ-HNNXBMFYSA-N 1 3 303.450 2.056 20 0 DEADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC1CC(F)(F)C1 ZINC001400815803 1161827416 /nfs/dbraw/zinc/82/74/16/1161827416.db2.gz WFEQPWUACGPCTG-CYBMUJFWSA-N 1 3 317.424 2.000 20 0 DEADHO CCc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCN2C)cc1 ZINC001401210203 1161895173 /nfs/dbraw/zinc/89/51/73/1161895173.db2.gz ZDOFAEDXXTZRFP-YJBOKZPZSA-N 1 3 317.477 2.280 20 0 DEADHO CCCC[N@H+](C)CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001401308704 1161922718 /nfs/dbraw/zinc/92/27/18/1161922718.db2.gz HBFDHYQQJYDEAH-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CCCC[N@@H+](C)CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001401308704 1161922723 /nfs/dbraw/zinc/92/27/23/1161922723.db2.gz HBFDHYQQJYDEAH-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO C[C@H](C[NH2+]C[C@H]1CCC(F)(F)C1)NC(=O)C1(N(C)C)CCC1 ZINC001401625512 1162050701 /nfs/dbraw/zinc/05/07/01/1162050701.db2.gz LUHHTHRSVKZCJP-OLZOCXBDSA-N 1 3 317.424 2.000 20 0 DEADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCN1CC1CC2(CCC2)C1 ZINC001401905738 1162175334 /nfs/dbraw/zinc/17/53/34/1162175334.db2.gz QEUCWQFBDNVDHW-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@](C)(C[NH2+]Cc2ccccc2)C1 ZINC001402199922 1162284963 /nfs/dbraw/zinc/28/49/63/1162284963.db2.gz XBXKFYZGBBUVLE-LJQANCHMSA-N 1 3 317.477 2.355 20 0 DEADHO CC[C@@H](C(=O)NCCC1CC[NH+](CC[C@H](C)F)CC1)N(C)C ZINC001405558315 1164148906 /nfs/dbraw/zinc/14/89/06/1164148906.db2.gz RPMXMOCYPGEORJ-HOCLYGCPSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC2CCCC2)[C@@H](C)C1 ZINC001405985232 1164372211 /nfs/dbraw/zinc/37/22/11/1164372211.db2.gz XCGGGEINOJAWCF-DOTOQJQBSA-N 1 3 309.498 2.343 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CC[C@@H]2[C@@H](CCN2C/C=C\Cl)C1 ZINC001406186356 1164498433 /nfs/dbraw/zinc/49/84/33/1164498433.db2.gz NWMGXIIQCVULPQ-FEDKZRLMSA-N 1 3 313.873 2.004 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H]2[C@@H](CCN2C/C=C\Cl)C1 ZINC001406186356 1164498442 /nfs/dbraw/zinc/49/84/42/1164498442.db2.gz NWMGXIIQCVULPQ-FEDKZRLMSA-N 1 3 313.873 2.004 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(C)c(C)c1)N(C)C ZINC001406402319 1164569834 /nfs/dbraw/zinc/56/98/34/1164569834.db2.gz HVEUTLQJXDNEJM-WBVHZDCISA-N 1 3 305.466 2.238 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001406416210 1164580722 /nfs/dbraw/zinc/58/07/22/1164580722.db2.gz IJUXOVDWQSEXDF-CZUORRHYSA-N 1 3 309.429 2.069 20 0 DEADHO C[C@@H](CNCc1ccc(Cl)c(F)c1)NC(=O)CC[NH+](C)C ZINC001406512539 1164648355 /nfs/dbraw/zinc/64/83/55/1164648355.db2.gz MEKUUAWGGQCXGT-NSHDSACASA-N 1 3 315.820 2.025 20 0 DEADHO C[C@H](C[N@H+](C)CCc1ccccc1)NC(=O)CN(C)C1CCC1 ZINC001406629693 1164745742 /nfs/dbraw/zinc/74/57/42/1164745742.db2.gz FTRBLNRRHHEQAZ-MRXNPFEDSA-N 1 3 317.477 2.150 20 0 DEADHO C[C@H](C[N@@H+](C)CCc1ccccc1)NC(=O)CN(C)C1CCC1 ZINC001406629693 1164745749 /nfs/dbraw/zinc/74/57/49/1164745749.db2.gz FTRBLNRRHHEQAZ-MRXNPFEDSA-N 1 3 317.477 2.150 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]Cc1ccc(F)cc1)C1CC1 ZINC001406811397 1164837513 /nfs/dbraw/zinc/83/75/13/1164837513.db2.gz AMAMQQFFAWEXGO-KRWDZBQOSA-N 1 3 321.440 2.150 20 0 DEADHO CC(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C2 ZINC001407537433 1165188281 /nfs/dbraw/zinc/18/82/81/1165188281.db2.gz UHIABPOXTMCUKU-FJIDUMEYSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C2 ZINC001407537433 1165188286 /nfs/dbraw/zinc/18/82/86/1165188286.db2.gz UHIABPOXTMCUKU-FJIDUMEYSA-N 1 3 321.509 2.343 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2cccc(F)c2)CCC1 ZINC001407829321 1165332813 /nfs/dbraw/zinc/33/28/13/1165332813.db2.gz RDTCKGODQGFOJL-UHFFFAOYSA-N 1 3 321.440 2.296 20 0 DEADHO CN(CCC[N@H+](C)Cc1ccsc1)C(=O)[C@@H]1CCCN1C ZINC001407880140 1165364378 /nfs/dbraw/zinc/36/43/78/1165364378.db2.gz RMCNHDSKABPADW-HNNXBMFYSA-N 1 3 309.479 2.123 20 0 DEADHO CN(CCC[N@@H+](C)Cc1ccsc1)C(=O)[C@@H]1CCCN1C ZINC001407880140 1165364384 /nfs/dbraw/zinc/36/43/84/1165364384.db2.gz RMCNHDSKABPADW-HNNXBMFYSA-N 1 3 309.479 2.123 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccccc2F)C1 ZINC001408095267 1165473994 /nfs/dbraw/zinc/47/39/94/1165473994.db2.gz GNAHVODYTZYUCK-PBHICJAKSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1[NH2+]CC1CCC1 ZINC001408098653 1165476138 /nfs/dbraw/zinc/47/61/38/1165476138.db2.gz RKBUTXHWZYSBKW-ZBFHGGJFSA-N 1 3 309.498 2.201 20 0 DEADHO CN(CC(=O)N[C@@H]1CC[N@H+](CCCF)CC1(C)C)C1CCC1 ZINC001408139508 1165494279 /nfs/dbraw/zinc/49/42/79/1165494279.db2.gz KVFWDLBHJUYPLU-OAHLLOKOSA-N 1 3 313.461 2.047 20 0 DEADHO CN(CC(=O)N[C@@H]1CC[N@@H+](CCCF)CC1(C)C)C1CCC1 ZINC001408139508 1165494284 /nfs/dbraw/zinc/49/42/84/1165494284.db2.gz KVFWDLBHJUYPLU-OAHLLOKOSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CN(C)C1CCC1 ZINC001408313596 1165583916 /nfs/dbraw/zinc/58/39/16/1165583916.db2.gz XODONXNAGWGQBC-IEBWSBKVSA-N 1 3 315.461 2.251 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@@H]2CCC[N@H+](CC)C2)CC1 ZINC001408331812 1165595232 /nfs/dbraw/zinc/59/52/32/1165595232.db2.gz SAAZCUPHJCTDDB-QGZVFWFLSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC001408331812 1165595238 /nfs/dbraw/zinc/59/52/38/1165595238.db2.gz SAAZCUPHJCTDDB-QGZVFWFLSA-N 1 3 309.498 2.299 20 0 DEADHO CCC(CC)C[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001408358767 1165613177 /nfs/dbraw/zinc/61/31/77/1165613177.db2.gz XSYQUGWZTIHJSI-INIZCTEOSA-N 1 3 306.454 2.311 20 0 DEADHO CCC(CC)C[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001408358767 1165613180 /nfs/dbraw/zinc/61/31/80/1165613180.db2.gz XSYQUGWZTIHJSI-INIZCTEOSA-N 1 3 306.454 2.311 20 0 DEADHO CN(C)Cc1ccc(CNC2CSC2)c2c1OC(F)(F)O2 ZINC001414187070 1165734606 /nfs/dbraw/zinc/73/46/06/1165734606.db2.gz LBXLVKJFWHUCAV-UHFFFAOYSA-N 1 3 316.373 2.275 20 0 DEADHO CN(C)Cc1ccc(C[NH2+]C2CSC2)c2c1OC(F)(F)O2 ZINC001414187070 1165734620 /nfs/dbraw/zinc/73/46/20/1165734620.db2.gz LBXLVKJFWHUCAV-UHFFFAOYSA-N 1 3 316.373 2.275 20 0 DEADHO C[C@H](CNC(=O)[C@@H](C)CC[NH+](C)C)N(C)Cc1ccccc1 ZINC001417643842 1167105059 /nfs/dbraw/zinc/10/50/59/1167105059.db2.gz IVNMFJDQVITHEB-JKSUJKDBSA-N 1 3 305.466 2.211 20 0 DEADHO CC1(C)CCCN(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001417729334 1167171720 /nfs/dbraw/zinc/17/17/20/1167171720.db2.gz ZPAUITNELNRISN-HOTGVXAUSA-N 1 3 307.482 2.242 20 0 DEADHO CC1(C)CCCN(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001417729334 1167171723 /nfs/dbraw/zinc/17/17/23/1167171723.db2.gz ZPAUITNELNRISN-HOTGVXAUSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCc2cccs2)C1)N(C)C ZINC001417777970 1167206939 /nfs/dbraw/zinc/20/69/39/1167206939.db2.gz MTZQQUYNJITKNU-LZWOXQAQSA-N 1 3 323.506 2.115 20 0 DEADHO CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001417793257 1167217214 /nfs/dbraw/zinc/21/72/14/1167217214.db2.gz XKFXZZRHPMDFRS-CKEIUWERSA-N 1 3 313.461 2.093 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CC1CCC1 ZINC001417892983 1167287900 /nfs/dbraw/zinc/28/79/00/1167287900.db2.gz RWJARQJVPNVMDS-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001418117663 1167421639 /nfs/dbraw/zinc/42/16/39/1167421639.db2.gz CCCRDGBARKTKKR-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001418117663 1167421645 /nfs/dbraw/zinc/42/16/45/1167421645.db2.gz CCCRDGBARKTKKR-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](CCNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1cccnc1 ZINC001418413542 1167636076 /nfs/dbraw/zinc/63/60/76/1167636076.db2.gz DBZOWPBFVHBZAQ-OAHLLOKOSA-N 1 3 320.481 2.044 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001418460639 1167675405 /nfs/dbraw/zinc/67/54/05/1167675405.db2.gz GAYINLAZNNBRJY-SFHVURJKSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001418460639 1167675408 /nfs/dbraw/zinc/67/54/08/1167675408.db2.gz GAYINLAZNNBRJY-SFHVURJKSA-N 1 3 317.477 2.416 20 0 DEADHO C[NH+](C)[C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)C12CCC2 ZINC001418614165 1167843958 /nfs/dbraw/zinc/84/39/58/1167843958.db2.gz HQKZSSVTEWXYOK-CABCVRRESA-N 1 3 307.482 2.240 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC2CCCCC2)C1)N(C)C ZINC001418674490 1167877152 /nfs/dbraw/zinc/87/71/52/1167877152.db2.gz RAOXNDKWILXWJC-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CC2CCCCC2)C1)N(C)C ZINC001418674490 1167877156 /nfs/dbraw/zinc/87/71/56/1167877156.db2.gz RAOXNDKWILXWJC-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CCC(CC)C[N@@H+]1CC[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001418688076 1167887627 /nfs/dbraw/zinc/88/76/27/1167887627.db2.gz JZZPAXLXYLHBME-OAHLLOKOSA-N 1 3 306.454 2.135 20 0 DEADHO CCC(CC)C[N@H+]1CC[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001418688076 1167887631 /nfs/dbraw/zinc/88/76/31/1167887631.db2.gz JZZPAXLXYLHBME-OAHLLOKOSA-N 1 3 306.454 2.135 20 0 DEADHO CC[C@@H](CNC(=O)CC[NH+](C)C)NCc1cc2ccccc2o1 ZINC001419224580 1168327435 /nfs/dbraw/zinc/32/74/35/1168327435.db2.gz RNUSRZDFZHVECS-HNNXBMFYSA-N 1 3 317.433 2.369 20 0 DEADHO CCCC[NH+]1CCC(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001419397335 1168444966 /nfs/dbraw/zinc/44/49/66/1168444966.db2.gz DSDZRJDTEKFFGX-MRXNPFEDSA-N 1 3 309.498 2.347 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC2(CC[N@H+](CC3CCC3)C2)CC1 ZINC001419426436 1168465230 /nfs/dbraw/zinc/46/52/30/1168465230.db2.gz AXKUPLJEVNOEQL-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC2(CC[N@@H+](CC3CCC3)C2)CC1 ZINC001419426436 1168465235 /nfs/dbraw/zinc/46/52/35/1168465235.db2.gz AXKUPLJEVNOEQL-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1F)N(C)C ZINC001419474908 1168518681 /nfs/dbraw/zinc/51/86/81/1168518681.db2.gz PBBSQGFVGIJOOV-PBHICJAKSA-N 1 3 323.456 2.254 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2c(C)cccc2C)C1)N(C)C ZINC001419510370 1168557916 /nfs/dbraw/zinc/55/79/16/1168557916.db2.gz CEDNWARSNVSEEP-SOLBZPMBSA-N 1 3 317.477 2.380 20 0 DEADHO CCc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H](CC)N(C)C)C2)cc1 ZINC001419522353 1168572606 /nfs/dbraw/zinc/57/26/06/1168572606.db2.gz TWAIPICRHMXEPJ-FGTMMUONSA-N 1 3 317.477 2.326 20 0 DEADHO CC[C@H](C(=O)N1CCC(CC[N@H+](C)CCCF)CC1)N(C)C ZINC001419849483 1168872557 /nfs/dbraw/zinc/87/25/57/1168872557.db2.gz MKQPTVSGAVHMRQ-MRXNPFEDSA-N 1 3 315.477 2.247 20 0 DEADHO CC[C@H](C(=O)N1CCC(CC[N@@H+](C)CCCF)CC1)N(C)C ZINC001419849483 1168872558 /nfs/dbraw/zinc/87/25/58/1168872558.db2.gz MKQPTVSGAVHMRQ-MRXNPFEDSA-N 1 3 315.477 2.247 20 0 DEADHO CC[C@H](F)C[NH2+][C@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001419930080 1168950399 /nfs/dbraw/zinc/95/03/99/1168950399.db2.gz NZNVXMVWQMPIAO-CJNGLKHVSA-N 1 3 309.429 2.204 20 0 DEADHO CCN(CC[NH2+][C@@H]1CCc2ccccc21)C(=O)[C@H]1CCCN1C ZINC001420243619 1169274590 /nfs/dbraw/zinc/27/45/90/1169274590.db2.gz TXDYELWOOILOAK-QZTJIDSGSA-N 1 3 315.461 2.206 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccccc1F ZINC001420499308 1169665182 /nfs/dbraw/zinc/66/51/82/1169665182.db2.gz FORNMYVMQURKSA-KBPBESRZSA-N 1 3 309.429 2.323 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C[NH2+]Cc1ccccc1)C1CC1)N(C)C ZINC001420769066 1171132663 /nfs/dbraw/zinc/13/26/63/1171132663.db2.gz MLRPVBVNXVSUMW-QZTJIDSGSA-N 1 3 317.477 2.257 20 0 DEADHO CC(C)CCCN1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001420838960 1171251244 /nfs/dbraw/zinc/25/12/44/1171251244.db2.gz YXGOLXMIWZPYLU-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CCCN1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001420838960 1171251265 /nfs/dbraw/zinc/25/12/65/1171251265.db2.gz YXGOLXMIWZPYLU-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001420880756 1171315903 /nfs/dbraw/zinc/31/59/03/1171315903.db2.gz WWWUIUHERBPJLL-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001420880756 1171315909 /nfs/dbraw/zinc/31/59/09/1171315909.db2.gz WWWUIUHERBPJLL-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)CCC(F)(F)F)C1 ZINC001420934485 1171360214 /nfs/dbraw/zinc/36/02/14/1171360214.db2.gz VQHCPYXSUVYYEI-ZDUSSCGKSA-N 1 3 323.403 2.061 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)CCC(F)(F)F)C1 ZINC001420934485 1171360221 /nfs/dbraw/zinc/36/02/21/1171360221.db2.gz VQHCPYXSUVYYEI-ZDUSSCGKSA-N 1 3 323.403 2.061 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC(C)(NC(=O)Cc2nc[nH]c2C)CC1 ZINC001421207871 1171589330 /nfs/dbraw/zinc/58/93/30/1171589330.db2.gz CQUQITVENAGCFE-CYBMUJFWSA-N 1 3 306.454 2.277 20 0 DEADHO CC[C@@H](C(=O)N[C@@](C)(C[NH2+]CC1CCCC1)C1CC1)N(C)C ZINC001421558694 1171847133 /nfs/dbraw/zinc/84/71/33/1171847133.db2.gz ZEVSQMHBXSWAHL-WMZOPIPTSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001422025894 1172239507 /nfs/dbraw/zinc/23/95/07/1172239507.db2.gz FMKCYRVNLPCHTF-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC1CCCC1 ZINC001422107155 1172307933 /nfs/dbraw/zinc/30/79/33/1172307933.db2.gz HGNIEYKDIAHYFR-DOTOQJQBSA-N 1 3 309.498 2.249 20 0 DEADHO CC(C)[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]CC1CC(F)(F)C1 ZINC001422132501 1172329971 /nfs/dbraw/zinc/32/99/71/1172329971.db2.gz FIIXIFHEFZXKLT-CQSZACIVSA-N 1 3 319.440 2.102 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[N@H+](C)CC1CC(C)C1 ZINC001422241718 1172430998 /nfs/dbraw/zinc/43/09/98/1172430998.db2.gz ALBCGJLKNMPSLQ-OFLPRAFFSA-N 1 3 309.498 2.297 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[N@@H+](C)CC1CC(C)C1 ZINC001422241718 1172431002 /nfs/dbraw/zinc/43/10/02/1172431002.db2.gz ALBCGJLKNMPSLQ-OFLPRAFFSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@@H](CNCc1ccccc1F)NC(=O)C12CCC[NH+]1CCC2 ZINC001422672367 1172803407 /nfs/dbraw/zinc/80/34/07/1172803407.db2.gz CHUGISNEZKDUJS-AWEZNQCLSA-N 1 3 319.424 2.048 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCc1ccccc1)N(C)C ZINC001422904347 1172913101 /nfs/dbraw/zinc/91/31/01/1172913101.db2.gz BWVPKZXNSNSNEE-FUHWJXTLSA-N 1 3 319.493 2.252 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCc1ccccc1)N(C)C ZINC001422904347 1172913114 /nfs/dbraw/zinc/91/31/14/1172913114.db2.gz BWVPKZXNSNSNEE-FUHWJXTLSA-N 1 3 319.493 2.252 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)C[N@H+](C)CCc1ccccc1)N(C)C ZINC001422904354 1172913183 /nfs/dbraw/zinc/91/31/83/1172913183.db2.gz BWVPKZXNSNSNEE-SJLPKXTDSA-N 1 3 319.493 2.252 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)C[N@@H+](C)CCc1ccccc1)N(C)C ZINC001422904354 1172913199 /nfs/dbraw/zinc/91/31/99/1172913199.db2.gz BWVPKZXNSNSNEE-SJLPKXTDSA-N 1 3 319.493 2.252 20 0 DEADHO C[C@@H]1[C@@H](NCC=C(Cl)Cl)CCN1C(=O)CCC[NH+](C)C ZINC001423327507 1173245931 /nfs/dbraw/zinc/24/59/31/1173245931.db2.gz PDINXIPXOJLTPV-NEPJUHHUSA-N 1 3 322.280 2.226 20 0 DEADHO C[C@H]1C[C@H](NCCF)CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001423337448 1173261169 /nfs/dbraw/zinc/26/11/69/1173261169.db2.gz WBAILBLWMBOLAM-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001423372682 1173311989 /nfs/dbraw/zinc/31/19/89/1173311989.db2.gz CYDLWPNICKJHPJ-FUHWJXTLSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C)C[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001423372682 1173311995 /nfs/dbraw/zinc/31/19/95/1173311995.db2.gz CYDLWPNICKJHPJ-FUHWJXTLSA-N 1 3 309.498 2.297 20 0 DEADHO C[NH+](C)CCC(=O)N1C[C@@H](NCc2ccccc2F)C(C)(C)C1 ZINC001423403137 1173333492 /nfs/dbraw/zinc/33/34/92/1173333492.db2.gz NYINXIPBBIQLQC-MRXNPFEDSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@@H](NC(=O)CN1CC[C@@H](C)C1)C1CC[NH+](CCC2CC2)CC1 ZINC001423654612 1173469613 /nfs/dbraw/zinc/46/96/13/1173469613.db2.gz WUEPPPYMGQCAAO-HZPDHXFCSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccccc2)C1)N(C)C ZINC001423682038 1173486887 /nfs/dbraw/zinc/48/68/87/1173486887.db2.gz KFPXHXUXGNUFJI-ABHNRTSZSA-N 1 3 317.477 2.352 20 0 DEADHO C[C@@H](F)CC[NH2+]C1(CNC(=O)CN(C)CC(C)(C)C)CCC1 ZINC001424212536 1173702786 /nfs/dbraw/zinc/70/27/86/1173702786.db2.gz JQUJFPCDMCZAME-CQSZACIVSA-N 1 3 315.477 2.341 20 0 DEADHO CCCN1Cc2ccccc2C[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001424380519 1173776440 /nfs/dbraw/zinc/77/64/40/1173776440.db2.gz JMWDRJFFNAUDBH-GOSISDBHSA-N 1 3 317.477 2.281 20 0 DEADHO CC[C@H](C)C[NH2+]C1(C)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001424475947 1173802597 /nfs/dbraw/zinc/80/25/97/1173802597.db2.gz PFQUEOVOZAJGGF-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CN(Cc1ccc(F)cc1)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001424721115 1173887018 /nfs/dbraw/zinc/88/70/18/1173887018.db2.gz UWHKUWMVPAFNFH-QGZVFWFLSA-N 1 3 321.440 2.200 20 0 DEADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)Cc1cccc(F)c1 ZINC001425059303 1174153193 /nfs/dbraw/zinc/15/31/93/1174153193.db2.gz RJAWPOJAIFUTAY-HOCLYGCPSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)Cc1cccc(F)c1 ZINC001425059303 1174153202 /nfs/dbraw/zinc/15/32/02/1174153202.db2.gz RJAWPOJAIFUTAY-HOCLYGCPSA-N 1 3 321.440 2.104 20 0 DEADHO CC(C)C[N@H+](C)[C@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001425067809 1174161950 /nfs/dbraw/zinc/16/19/50/1174161950.db2.gz MKVLBRFCWXQLMT-OAHLLOKOSA-N 1 3 305.466 2.454 20 0 DEADHO CC(C)C[N@@H+](C)[C@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001425067809 1174161955 /nfs/dbraw/zinc/16/19/55/1174161955.db2.gz MKVLBRFCWXQLMT-OAHLLOKOSA-N 1 3 305.466 2.454 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2[C@H]3C[N@@H+](CCC(C)(C)C)C[C@H]32)C1 ZINC001425367338 1174296461 /nfs/dbraw/zinc/29/64/61/1174296461.db2.gz VYLDFCMWKNURID-VQHPVUNQSA-N 1 3 321.509 2.058 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2[C@H]3C[N@H+](CCC(C)(C)C)C[C@H]32)C1 ZINC001425367338 1174296473 /nfs/dbraw/zinc/29/64/73/1174296473.db2.gz VYLDFCMWKNURID-VQHPVUNQSA-N 1 3 321.509 2.058 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1CCC(N(C)C/C=C/Cl)CC1 ZINC001425431604 1174317676 /nfs/dbraw/zinc/31/76/76/1174317676.db2.gz AHECBSNNYRZRAA-WEVVVXLNSA-N 1 3 315.889 2.394 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1CCC(N(C)C/C=C/Cl)CC1 ZINC001425431604 1174317681 /nfs/dbraw/zinc/31/76/81/1174317681.db2.gz AHECBSNNYRZRAA-WEVVVXLNSA-N 1 3 315.889 2.394 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCC2CCCC2)C[C@H]1C ZINC001425911512 1174509022 /nfs/dbraw/zinc/50/90/22/1174509022.db2.gz KKNYVOLEQHKTST-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2CCN(CC3CCCC3)CC2)CC[N@@H+]1C ZINC001434861936 1178898268 /nfs/dbraw/zinc/89/82/68/1178898268.db2.gz IJIUWBAVNBMCQN-DLBZAZTESA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2CCN(CC3CCCC3)CC2)CC[N@H+]1C ZINC001434861936 1178898270 /nfs/dbraw/zinc/89/82/70/1178898270.db2.gz IJIUWBAVNBMCQN-DLBZAZTESA-N 1 3 307.482 2.051 20 0 DEADHO CC1CC(C[NH2+][C@H]2C[C@H](CNC(=O)C(C)(C)N3CCCC3)C2)C1 ZINC001436394758 1179078370 /nfs/dbraw/zinc/07/83/70/1179078370.db2.gz MNOOWQBOXARSQP-GWEOLNPGSA-N 1 3 321.509 2.391 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2Cl)C1 ZINC001436924797 1179303491 /nfs/dbraw/zinc/30/34/91/1179303491.db2.gz JUEZKYHMHNQBBY-SHTZXODSSA-N 1 3 323.868 2.419 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@H](C)[NH2+]CC[C@@H](C)F)CC1 ZINC001437849382 1180028772 /nfs/dbraw/zinc/02/87/72/1180028772.db2.gz CMEIWZZNFKNFBI-CABCVRRESA-N 1 3 315.477 2.293 20 0 DEADHO CN(CC[N@H+](C)[C@H]1CCc2ccccc21)C(=O)[C@@H]1CCCN1C ZINC001438861975 1180834480 /nfs/dbraw/zinc/83/44/80/1180834480.db2.gz OIHHBGDRLJSSML-ROUUACIJSA-N 1 3 315.461 2.158 20 0 DEADHO CN(CC[N@@H+](C)[C@H]1CCc2ccccc21)C(=O)[C@@H]1CCCN1C ZINC001438861975 1180834482 /nfs/dbraw/zinc/83/44/82/1180834482.db2.gz OIHHBGDRLJSSML-ROUUACIJSA-N 1 3 315.461 2.158 20 0 DEADHO C[C@H](c1ccccc1)N(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001438936279 1180857387 /nfs/dbraw/zinc/85/73/87/1180857387.db2.gz FPARACJRXHBIJL-NVXWUHKLSA-N 1 3 303.450 2.090 20 0 DEADHO C[C@H](c1ccccc1)N(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001438936279 1180857389 /nfs/dbraw/zinc/85/73/89/1180857389.db2.gz FPARACJRXHBIJL-NVXWUHKLSA-N 1 3 303.450 2.090 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001439108828 1180886592 /nfs/dbraw/zinc/88/65/92/1180886592.db2.gz DVVXRMLFARZGMA-ZIAGYGMSSA-N 1 3 301.450 2.093 20 0 DEADHO Cc1ccc(CNC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)c(Cl)c1 ZINC001439283448 1180989286 /nfs/dbraw/zinc/98/92/86/1180989286.db2.gz RQBJNDWONAKNMT-DZGCQCFKSA-N 1 3 323.868 2.194 20 0 DEADHO Cc1ccc(CNC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)c(Cl)c1 ZINC001439283448 1180989293 /nfs/dbraw/zinc/98/92/93/1180989293.db2.gz RQBJNDWONAKNMT-DZGCQCFKSA-N 1 3 323.868 2.194 20 0 DEADHO C[C@@H](C(=O)NCC1(NC/C=C\Cl)CC1)[NH+]1CCCCCC1 ZINC001439661308 1181189540 /nfs/dbraw/zinc/18/95/40/1181189540.db2.gz YKCAGYLMSBCDRI-PIZKADEWSA-N 1 3 313.873 2.242 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+][C@@H]2CCc3ccccc32)CC1)N(C)C ZINC001439665750 1181191652 /nfs/dbraw/zinc/19/16/52/1181191652.db2.gz AMENOHMIOAGBPH-SJORKVTESA-N 1 3 315.461 2.253 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@]1(C)CCC[N@H+](CC2CCC2)C1 ZINC001439947042 1181323595 /nfs/dbraw/zinc/32/35/95/1181323595.db2.gz GGPKYGSYIRITMC-SFHVURJKSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@]1(C)CCC[N@@H+](CC2CCC2)C1 ZINC001439947042 1181323599 /nfs/dbraw/zinc/32/35/99/1181323599.db2.gz GGPKYGSYIRITMC-SFHVURJKSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1C[N@@H+](C(C)C)CCC1(F)F)N(C)C ZINC001439964532 1181328787 /nfs/dbraw/zinc/32/87/87/1181328787.db2.gz AAGMGBLUIGBVHV-UONOGXRCSA-N 1 3 319.440 2.054 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1C[N@H+](C(C)C)CCC1(F)F)N(C)C ZINC001439964532 1181328797 /nfs/dbraw/zinc/32/87/97/1181328797.db2.gz AAGMGBLUIGBVHV-UONOGXRCSA-N 1 3 319.440 2.054 20 0 DEADHO CCC[N@H+](C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2CCF ZINC001440130200 1181361293 /nfs/dbraw/zinc/36/12/93/1181361293.db2.gz QKILYMXNPLTTHT-MUJYYYPQSA-N 1 3 313.461 2.047 20 0 DEADHO CCC[N@@H+](C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2CCF ZINC001440130200 1181361294 /nfs/dbraw/zinc/36/12/94/1181361294.db2.gz QKILYMXNPLTTHT-MUJYYYPQSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001440308753 1181440540 /nfs/dbraw/zinc/44/05/40/1181440540.db2.gz UHASQHRCGZXDGC-RYQLBKOJSA-N 1 3 321.509 2.393 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]C[C@@H](F)CC)CCC1 ZINC001440323250 1181448635 /nfs/dbraw/zinc/44/86/35/1181448635.db2.gz MNKDGQDZFJXCSY-LSDHHAIUSA-N 1 3 313.461 2.237 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCCN(C/C=C/Cl)CC1 ZINC001440396318 1181479375 /nfs/dbraw/zinc/47/93/75/1181479375.db2.gz HWYFMHOPZBSRTH-BOSPYUDASA-N 1 3 315.889 2.442 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCCN(C/C=C/Cl)CC1 ZINC001440396318 1181479377 /nfs/dbraw/zinc/47/93/77/1181479377.db2.gz HWYFMHOPZBSRTH-BOSPYUDASA-N 1 3 315.889 2.442 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](CC2CCC2)CC1(C)C ZINC001440624320 1181617063 /nfs/dbraw/zinc/61/70/63/1181617063.db2.gz QYUVJRXOTFBUSG-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](CC2CCC2)CC1(C)C ZINC001440624320 1181617068 /nfs/dbraw/zinc/61/70/68/1181617068.db2.gz QYUVJRXOTFBUSG-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]C(C)C ZINC001440724623 1181656405 /nfs/dbraw/zinc/65/64/05/1181656405.db2.gz XXTRCADLHRJBRO-SJLPKXTDSA-N 1 3 303.450 2.108 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[N@H+](C)CCCC1CCC1 ZINC001440975215 1181807786 /nfs/dbraw/zinc/80/77/86/1181807786.db2.gz VNPOIPFHCOPICW-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[N@@H+](C)CCCC1CCC1 ZINC001440975215 1181807787 /nfs/dbraw/zinc/80/77/87/1181807787.db2.gz VNPOIPFHCOPICW-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[N@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001441040392 1181834374 /nfs/dbraw/zinc/83/43/74/1181834374.db2.gz VCQYHVAYVWMDMW-UONOGXRCSA-N 1 3 319.440 2.199 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[N@@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001441040392 1181834375 /nfs/dbraw/zinc/83/43/75/1181834375.db2.gz VCQYHVAYVWMDMW-UONOGXRCSA-N 1 3 319.440 2.199 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CC12CC[NH+](CCC1CC1)CC2)N(C)C ZINC001441142535 1181867456 /nfs/dbraw/zinc/86/74/56/1181867456.db2.gz PCXMRPMCMJYRDT-SJORKVTESA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]([NH2+]Cc1cccc(F)c1)C1CC1 ZINC001441294094 1181933540 /nfs/dbraw/zinc/93/35/40/1181933540.db2.gz HJXRGFKDTRZMEA-KRWDZBQOSA-N 1 3 321.440 2.150 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21 ZINC001441303998 1181939297 /nfs/dbraw/zinc/93/92/97/1181939297.db2.gz FINOYLMXYYCLHR-OSYLJGHBSA-N 1 3 323.525 2.449 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21 ZINC001441303998 1181939301 /nfs/dbraw/zinc/93/93/01/1181939301.db2.gz FINOYLMXYYCLHR-OSYLJGHBSA-N 1 3 323.525 2.449 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC(C)C ZINC001441675508 1182124305 /nfs/dbraw/zinc/12/43/05/1182124305.db2.gz MPBJCGCIJLOZKY-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C/C=C\c1ccccc1 ZINC001441843054 1182210081 /nfs/dbraw/zinc/21/00/81/1182210081.db2.gz PEHBIKLYDIZLPV-UBAGTECSSA-N 1 3 315.461 2.278 20 0 DEADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)NCc1cccc(F)c1 ZINC001442110347 1182325439 /nfs/dbraw/zinc/32/54/39/1182325439.db2.gz IGWKAFBOVWKNLD-OAHLLOKOSA-N 1 3 321.440 2.296 20 0 DEADHO CC1CCN(CC(=O)N(C)C2CC([NH2+]C/C=C/Cl)C2)CC1 ZINC001442257619 1182393467 /nfs/dbraw/zinc/39/34/67/1182393467.db2.gz ZHPIYZXXIFYRQD-ZZXKWVIFSA-N 1 3 313.873 2.050 20 0 DEADHO CC[N@H+](CCNC(=O)Cc1nc[nH]c1C)CC1CC2(CCC2)C1 ZINC001442745967 1182683632 /nfs/dbraw/zinc/68/36/32/1182683632.db2.gz MATTWXGTUFYEEX-UHFFFAOYSA-N 1 3 318.465 2.279 20 0 DEADHO CC[N@@H+](CCNC(=O)Cc1nc[nH]c1C)CC1CC2(CCC2)C1 ZINC001442745967 1182683643 /nfs/dbraw/zinc/68/36/43/1182683643.db2.gz MATTWXGTUFYEEX-UHFFFAOYSA-N 1 3 318.465 2.279 20 0 DEADHO CCc1ccc(CN2CC[C@@H](N(C)C(=O)CC[NH+](C)C)C2)cc1 ZINC001443824515 1183148997 /nfs/dbraw/zinc/14/89/97/1183148997.db2.gz SZECKKDNMYLKGS-GOSISDBHSA-N 1 3 317.477 2.233 20 0 DEADHO CC(C)N(C)CC(=O)NCCC1CC[NH+](CC[C@H](C)F)CC1 ZINC001444236455 1183321802 /nfs/dbraw/zinc/32/18/02/1183321802.db2.gz VEOJNSBKWMODPG-HNNXBMFYSA-N 1 3 315.477 2.293 20 0 DEADHO Cc1cc(C)cc(C[NH2+]C[C@@H](C)N(C)C(=O)Cc2c[nH]cn2)c1 ZINC001444690798 1183520218 /nfs/dbraw/zinc/52/02/18/1183520218.db2.gz QPMWFGHDYYKHTM-OAHLLOKOSA-N 1 3 314.433 2.206 20 0 DEADHO Cc1cc(C)cc(C[NH2+]C[C@H](C)N(C)C(=O)CN2CCCC2)c1 ZINC001444720963 1183529556 /nfs/dbraw/zinc/52/95/56/1183529556.db2.gz GLLSDPILHZUEGD-KRWDZBQOSA-N 1 3 317.477 2.336 20 0 DEADHO C[C@@H](CNCc1ccccc1Cl)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001444737800 1183537552 /nfs/dbraw/zinc/53/75/52/1183537552.db2.gz XOXWDEWZZRVTIQ-DZGCQCFKSA-N 1 3 323.868 2.228 20 0 DEADHO C[C@@H](CNCc1ccccc1Cl)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001444737800 1183537558 /nfs/dbraw/zinc/53/75/58/1183537558.db2.gz XOXWDEWZZRVTIQ-DZGCQCFKSA-N 1 3 323.868 2.228 20 0 DEADHO C[C@H](CNCc1ccccc1Cl)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001444737807 1183537713 /nfs/dbraw/zinc/53/77/13/1183537713.db2.gz XOXWDEWZZRVTIQ-UKRRQHHQSA-N 1 3 323.868 2.228 20 0 DEADHO C[C@H](CNCc1ccccc1Cl)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001444737807 1183537717 /nfs/dbraw/zinc/53/77/17/1183537717.db2.gz XOXWDEWZZRVTIQ-UKRRQHHQSA-N 1 3 323.868 2.228 20 0 DEADHO C[C@H](C[NH2+]CC1CC(C)C1)NC(=O)C(C)(C)N1CCCCC1 ZINC001445362913 1183849265 /nfs/dbraw/zinc/84/92/65/1183849265.db2.gz FUPNOCFQPHTQNX-HWOWSKLDSA-N 1 3 309.498 2.391 20 0 DEADHO C[NH+](C)CC1(C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CC2)CC1 ZINC001446318892 1184309020 /nfs/dbraw/zinc/30/90/20/1184309020.db2.gz VQXXJQFKJQGSAF-CALCHBBNSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001446577966 1184423896 /nfs/dbraw/zinc/42/38/96/1184423896.db2.gz OMPABJFJGKPSAI-SFHVURJKSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)(C(=O)NCC1(C)CC[NH+](CC2CC2)CC1)N1CCCC1 ZINC001446635314 1184464912 /nfs/dbraw/zinc/46/49/12/1184464912.db2.gz VIMRXIFTMNDVCM-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001447750349 1184857827 /nfs/dbraw/zinc/85/78/27/1184857827.db2.gz MNJSVHBIGOVHPQ-SJLPKXTDSA-N 1 3 317.477 2.356 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C1CCC([NH2+]CC2CCC2)CC1 ZINC001447943471 1184967614 /nfs/dbraw/zinc/96/76/14/1184967614.db2.gz BFWGKWWIQNCYNE-UHFFFAOYSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001448510284 1185266141 /nfs/dbraw/zinc/26/61/41/1185266141.db2.gz JFGBBQMGJOQCST-SHTZXODSSA-N 1 3 309.479 2.073 20 0 DEADHO CC(C)[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]C/C=C\Cl ZINC001448557022 1185292773 /nfs/dbraw/zinc/29/27/73/1185292773.db2.gz BNNLAFUJZYBCHE-DGPIVGRDSA-N 1 3 315.889 2.201 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001449011743 1185484203 /nfs/dbraw/zinc/48/42/03/1185484203.db2.gz IBOPPFLJTXXJNZ-FUHWJXTLSA-N 1 3 317.477 2.414 20 0 DEADHO CC[C@@H](F)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC001449071607 1185517883 /nfs/dbraw/zinc/51/78/83/1185517883.db2.gz FSKWVOLRDWSUJU-UKRRQHHQSA-N 1 3 313.461 2.045 20 0 DEADHO CCC[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C(F)(F)F ZINC001449367689 1185679748 /nfs/dbraw/zinc/67/97/48/1185679748.db2.gz MUDUVKAOOOCYBR-STQMWFEESA-N 1 3 323.403 2.106 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C)c2)C1)N(C)C ZINC001370683649 1149827518 /nfs/dbraw/zinc/82/75/18/1149827518.db2.gz WFLNAYNOESCNTI-BBWFWOEESA-N 1 3 303.450 2.072 20 0 DEADHO CC(C)CC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001106666482 782841400 /nfs/dbraw/zinc/84/14/00/782841400.db2.gz MFUHXUXHKAWRJJ-BRWVUGGUSA-N 1 3 309.498 2.058 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1)C2)N(C)C ZINC001072990658 790359749 /nfs/dbraw/zinc/35/97/49/790359749.db2.gz CEZYZPGGRVXPDU-KRWDZBQOSA-N 1 3 315.461 2.061 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](Cc1ccccc1)C2)N(C)C ZINC001072990658 790359763 /nfs/dbraw/zinc/35/97/63/790359763.db2.gz CEZYZPGGRVXPDU-KRWDZBQOSA-N 1 3 315.461 2.061 20 0 DEADHO CC[NH2+]C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001075367642 776746896 /nfs/dbraw/zinc/74/68/96/776746896.db2.gz VVUOUASAKXSGDG-MAUKXSAKSA-N 1 3 317.477 2.456 20 0 DEADHO CCCC[NH2+]CC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001206952592 776821553 /nfs/dbraw/zinc/82/15/53/776821553.db2.gz VPFPJBDFNXERJH-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001210811629 776957164 /nfs/dbraw/zinc/95/71/64/776957164.db2.gz PLQWZPPUJGHOQK-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H](C[NH2+]CC2CC2)C1 ZINC001087213073 777350375 /nfs/dbraw/zinc/35/03/75/777350375.db2.gz CYVPKPABARYYEO-WBVHZDCISA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001104676321 778015275 /nfs/dbraw/zinc/01/52/75/778015275.db2.gz FJZJSRHKTFGBHM-BRWVUGGUSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC2CC2)C1)N(C)C ZINC001104691147 778025400 /nfs/dbraw/zinc/02/54/00/778025400.db2.gz KDXJCABPHGECII-OIISXLGYSA-N 1 3 309.498 2.201 20 0 DEADHO CCCCC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104732611 778051481 /nfs/dbraw/zinc/05/14/81/778051481.db2.gz YNDYDQOBLMPFNA-HUUCEWRRSA-N 1 3 306.454 2.217 20 0 DEADHO CCCC[N@@H+]1CCC2(CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC001073453894 790665932 /nfs/dbraw/zinc/66/59/32/790665932.db2.gz CAZOSXQJQFLXFB-HOTGVXAUSA-N 1 3 307.482 2.194 20 0 DEADHO CCCC[N@H+]1CCC2(CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC001073453894 790665939 /nfs/dbraw/zinc/66/59/39/790665939.db2.gz CAZOSXQJQFLXFB-HOTGVXAUSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CCC2CC2)C1)C1CC1 ZINC001088326167 779956749 /nfs/dbraw/zinc/95/67/49/779956749.db2.gz IVLKQMIVFWQUQG-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CC2CCN(Cc3cccnc3)CC2)CCO1 ZINC001168093099 780015313 /nfs/dbraw/zinc/01/53/13/780015313.db2.gz LOUCORWKNJYEQV-MAUKXSAKSA-N 1 3 303.450 2.451 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CCN1CCC(F)(F)F ZINC001088666409 780700930 /nfs/dbraw/zinc/70/09/30/780700930.db2.gz GSTMHRZTADIHQR-FRRDWIJNSA-N 1 3 321.387 2.002 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CCN1CCC(F)(F)F ZINC001088666409 780700938 /nfs/dbraw/zinc/70/09/38/780700938.db2.gz GSTMHRZTADIHQR-FRRDWIJNSA-N 1 3 321.387 2.002 20 0 DEADHO CC[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)CCC1 ZINC001105566592 780766408 /nfs/dbraw/zinc/76/64/08/780766408.db2.gz QBVWZSVNEZHZAG-OAHLLOKOSA-N 1 3 304.438 2.113 20 0 DEADHO COCOc1cnc(NC2CN(C(C)C)C2)cc1/C=C/[NH+](C)C ZINC001168315189 780834624 /nfs/dbraw/zinc/83/46/24/780834624.db2.gz JQJLSOVLTMVQOI-VOTSOKGWSA-N 1 3 320.437 2.101 20 0 DEADHO CC(C)=CCN1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC001088702477 780862514 /nfs/dbraw/zinc/86/25/14/780862514.db2.gz SFSNXMMAOUQYIE-CVEARBPZSA-N 1 3 305.466 2.160 20 0 DEADHO CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCC1 ZINC001089846741 783498159 /nfs/dbraw/zinc/49/81/59/783498159.db2.gz PLEROKIMOMKQAK-YVSFHVDLSA-N 1 3 319.493 2.050 20 0 DEADHO CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCC1 ZINC001089846741 783498167 /nfs/dbraw/zinc/49/81/67/783498167.db2.gz PLEROKIMOMKQAK-YVSFHVDLSA-N 1 3 319.493 2.050 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C23CCCN2CCC3)C1 ZINC000967204203 783903024 /nfs/dbraw/zinc/90/30/24/783903024.db2.gz HIIDJBDPAXBTPX-IRXDYDNUSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C23CCCN2CCC3)C1 ZINC000967204203 783903031 /nfs/dbraw/zinc/90/30/31/783903031.db2.gz HIIDJBDPAXBTPX-IRXDYDNUSA-N 1 3 321.509 2.488 20 0 DEADHO CCCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC000967205561 783905817 /nfs/dbraw/zinc/90/58/17/783905817.db2.gz LKZNOEHMJUJBBJ-JKSUJKDBSA-N 1 3 307.482 2.242 20 0 DEADHO CCCC[N@H+]1CC[C@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC000967205561 783905824 /nfs/dbraw/zinc/90/58/24/783905824.db2.gz LKZNOEHMJUJBBJ-JKSUJKDBSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1CC[N@H+](CCC2CC2)C[C@@H]1NC(=O)C12CCCN1CCC2 ZINC000967212113 783908107 /nfs/dbraw/zinc/90/81/07/783908107.db2.gz ZSDLZXAZKCLXJG-RDJZCZTQSA-N 1 3 319.493 2.242 20 0 DEADHO C[C@H]1CC[N@@H+](CCC2CC2)C[C@@H]1NC(=O)C12CCCN1CCC2 ZINC000967212113 783908111 /nfs/dbraw/zinc/90/81/11/783908111.db2.gz ZSDLZXAZKCLXJG-RDJZCZTQSA-N 1 3 319.493 2.242 20 0 DEADHO CN(C[C@H]1CCN1CC1CC1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001085639856 783916624 /nfs/dbraw/zinc/91/66/24/783916624.db2.gz XRJMFEFGYRCDNO-QZTJIDSGSA-N 1 3 319.493 2.336 20 0 DEADHO CN(C[C@H]1CCN1CC1CC1)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001085639856 783916630 /nfs/dbraw/zinc/91/66/30/783916630.db2.gz XRJMFEFGYRCDNO-QZTJIDSGSA-N 1 3 319.493 2.336 20 0 DEADHO CC(C)=CCN1CC[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968149893 784237533 /nfs/dbraw/zinc/23/75/33/784237533.db2.gz GIIBXULIMYLDQS-NVXWUHKLSA-N 1 3 307.482 2.121 20 0 DEADHO C[N@H+](CC1CC1)C[C@H]1CCCCN1C(=O)CN1CCC(C)(C)C1 ZINC001074063339 791035785 /nfs/dbraw/zinc/03/57/85/791035785.db2.gz JZEVLHMSIOHABO-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO C[N@@H+](CC1CC1)C[C@H]1CCCCN1C(=O)CN1CCC(C)(C)C1 ZINC001074063339 791035797 /nfs/dbraw/zinc/03/57/97/791035797.db2.gz JZEVLHMSIOHABO-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968673331 784532725 /nfs/dbraw/zinc/53/27/25/784532725.db2.gz JMDLSHUMGPPGHR-WMLDXEAASA-N 1 3 303.450 2.208 20 0 DEADHO CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968673331 784532728 /nfs/dbraw/zinc/53/27/28/784532728.db2.gz JMDLSHUMGPPGHR-WMLDXEAASA-N 1 3 303.450 2.208 20 0 DEADHO CN(CC(=O)N1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C1)C1CCC1 ZINC000968921915 784652022 /nfs/dbraw/zinc/65/20/22/784652022.db2.gz MPYBRSJCCAITGN-OAHLLOKOSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H](CCCC[NH2+]CCCF)NC(=O)C1(N(C)C)CCC1 ZINC001171236142 791080468 /nfs/dbraw/zinc/08/04/68/791080468.db2.gz LQXLROGGKFFFPK-AWEZNQCLSA-N 1 3 301.450 2.095 20 0 DEADHO CC[C@@H](F)C[NH2+]CCCC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001171236138 791080700 /nfs/dbraw/zinc/08/07/00/791080700.db2.gz LLZROKKPMRRGAT-HUUCEWRRSA-N 1 3 315.477 2.483 20 0 DEADHO CC[NH+]1CCC(N2CC3(C2)CCN(Cc2cccnc2)C3)CC1 ZINC001169254490 785118737 /nfs/dbraw/zinc/11/87/37/785118737.db2.gz YNHUZOWJDQELTE-UHFFFAOYSA-N 1 3 314.477 2.074 20 0 DEADHO CN1CCN(c2ccc(NCC34CC[NH+](CC3)CC4)cc2)CC1 ZINC001169795930 785372482 /nfs/dbraw/zinc/37/24/82/785372482.db2.gz HZLYRSSZHWMNFD-UHFFFAOYSA-N 1 3 314.477 2.336 20 0 DEADHO CC(C)C[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(C)C ZINC001115304166 785383584 /nfs/dbraw/zinc/38/35/84/785383584.db2.gz OWZLTOJOHIJOLG-LISAXSMJSA-N 1 3 309.498 2.055 20 0 DEADHO CC(C)C[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(C)C ZINC001115304166 785383592 /nfs/dbraw/zinc/38/35/92/785383592.db2.gz OWZLTOJOHIJOLG-LISAXSMJSA-N 1 3 309.498 2.055 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(N(C)C)CCC1)C2 ZINC001108702902 785501397 /nfs/dbraw/zinc/50/13/97/785501397.db2.gz FYYSDBOBSSJKTA-BBWFWOEESA-N 1 3 319.493 2.406 20 0 DEADHO CCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(CC)CC)C2 ZINC001108786227 785533508 /nfs/dbraw/zinc/53/35/08/785533508.db2.gz UTRPSTRGBUGVGN-BBWFWOEESA-N 1 3 309.498 2.488 20 0 DEADHO CCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C(C)C)C2 ZINC001108830013 785558173 /nfs/dbraw/zinc/55/81/73/785558173.db2.gz BUSFRBQIFJFNJT-ULQDDVLXSA-N 1 3 309.498 2.486 20 0 DEADHO CC[NH+](CC)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(C)C)C(C)C ZINC001109860328 786087660 /nfs/dbraw/zinc/08/76/60/786087660.db2.gz XVVUGDXHVKTPGH-LTIDMASMSA-N 1 3 309.498 2.483 20 0 DEADHO CC(C)C[C@H](C)CN1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001113291516 786503695 /nfs/dbraw/zinc/50/36/95/786503695.db2.gz BLNYTGKDVHUVKA-INIZCTEOSA-N 1 3 309.498 2.155 20 0 DEADHO CC(C)=CCN1CC[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001014723404 786724774 /nfs/dbraw/zinc/72/47/74/786724774.db2.gz PNAPSWIEABMOIR-IAGOWNOFSA-N 1 3 307.482 2.406 20 0 DEADHO CC(C)=CCN1CC[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001014723404 786724781 /nfs/dbraw/zinc/72/47/81/786724781.db2.gz PNAPSWIEABMOIR-IAGOWNOFSA-N 1 3 307.482 2.406 20 0 DEADHO Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCCCN3C)C2)cs1 ZINC001014966842 786831450 /nfs/dbraw/zinc/83/14/50/786831450.db2.gz ZEWBGLSCZHKIJU-JKSUJKDBSA-N 1 3 321.490 2.231 20 0 DEADHO Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCCCN3C)C2)cs1 ZINC001014966842 786831463 /nfs/dbraw/zinc/83/14/63/786831463.db2.gz ZEWBGLSCZHKIJU-JKSUJKDBSA-N 1 3 321.490 2.231 20 0 DEADHO Cc1cc(CN2CC[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)cs1 ZINC001014966842 786831475 /nfs/dbraw/zinc/83/14/75/786831475.db2.gz ZEWBGLSCZHKIJU-JKSUJKDBSA-N 1 3 321.490 2.231 20 0 DEADHO Cc1cc(CN2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)cs1 ZINC001014966842 786831485 /nfs/dbraw/zinc/83/14/85/786831485.db2.gz ZEWBGLSCZHKIJU-JKSUJKDBSA-N 1 3 321.490 2.231 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCNCc1ccc(F)cc1 ZINC001129410263 787207582 /nfs/dbraw/zinc/20/75/82/787207582.db2.gz ICXLPKUSTQKUMO-QGZVFWFLSA-N 1 3 321.440 2.294 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCNCc1ccc(F)cc1 ZINC001129410263 787207589 /nfs/dbraw/zinc/20/75/89/787207589.db2.gz ICXLPKUSTQKUMO-QGZVFWFLSA-N 1 3 321.440 2.294 20 0 DEADHO C[C@H]([NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C)c1cccc(Cl)c1 ZINC001129437349 787213364 /nfs/dbraw/zinc/21/33/64/787213364.db2.gz ZFMPNNBZKUJYBG-BLLLJJGKSA-N 1 3 323.868 2.447 20 0 DEADHO C[C@H]([NH2+]CCNC(=O)[C@H](C1CC1)N(C)C)c1ccc(Cl)cc1 ZINC001129454240 787213515 /nfs/dbraw/zinc/21/35/15/787213515.db2.gz IALCADXODKTFTD-LRDDRELGSA-N 1 3 323.868 2.447 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]Cc1ccc(C)c(C)c1 ZINC001130424977 787387082 /nfs/dbraw/zinc/38/70/82/787387082.db2.gz JIWBQGRRSJQNHF-UHFFFAOYSA-N 1 3 305.466 2.240 20 0 DEADHO CCc1ccccc1C[NH2+]CCNC(=O)C(C)(C)N(C)CC ZINC001130419224 787392816 /nfs/dbraw/zinc/39/28/16/787392816.db2.gz PWSRGWMPXQAROP-UHFFFAOYSA-N 1 3 305.466 2.185 20 0 DEADHO CC[C@@H](F)C[NH2+]CCCNC(=O)C(C)(C)N1CCCCC1 ZINC001158080246 787471462 /nfs/dbraw/zinc/47/14/62/787471462.db2.gz ZLHJXNFMAFCMTN-CQSZACIVSA-N 1 3 301.450 2.095 20 0 DEADHO C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC1)N1CCCCCC1 ZINC001096101215 787505974 /nfs/dbraw/zinc/50/59/74/787505974.db2.gz PKHFJCLVVORRRT-BGTYHANMSA-N 1 3 319.493 2.382 20 0 DEADHO C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC1)N1CCCCCC1 ZINC001096101215 787505981 /nfs/dbraw/zinc/50/59/81/787505981.db2.gz PKHFJCLVVORRRT-BGTYHANMSA-N 1 3 319.493 2.382 20 0 DEADHO CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001096598204 787749796 /nfs/dbraw/zinc/74/97/96/787749796.db2.gz PZWZDZDYHJBQTD-SQNIBIBYSA-N 1 3 315.461 2.493 20 0 DEADHO CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001096598204 787749805 /nfs/dbraw/zinc/74/98/05/787749805.db2.gz PZWZDZDYHJBQTD-SQNIBIBYSA-N 1 3 315.461 2.493 20 0 DEADHO C[NH+](C)C1(CC(=O)NCCNCc2cccc(F)c2)CCCC1 ZINC001131837295 787766479 /nfs/dbraw/zinc/76/64/79/787766479.db2.gz ZTUAXRBNHFHRJT-UHFFFAOYSA-N 1 3 321.440 2.296 20 0 DEADHO CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001158474471 787770901 /nfs/dbraw/zinc/77/09/01/787770901.db2.gz ZUXHADKYYSQAGC-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001158474471 787770903 /nfs/dbraw/zinc/77/09/03/787770903.db2.gz ZUXHADKYYSQAGC-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CCN1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001132202539 787971960 /nfs/dbraw/zinc/97/19/60/787971960.db2.gz IHEOINOWBBAPAU-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CCN1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001132202538 787972018 /nfs/dbraw/zinc/97/20/18/787972018.db2.gz IHEOINOWBBAPAU-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001097101202 787979483 /nfs/dbraw/zinc/97/94/83/787979483.db2.gz IUMHSSUBTGRGJN-HHARLNAUSA-N 1 3 305.466 2.014 20 0 DEADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001097101202 787979487 /nfs/dbraw/zinc/97/94/87/787979487.db2.gz IUMHSSUBTGRGJN-HHARLNAUSA-N 1 3 305.466 2.014 20 0 DEADHO CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C ZINC001133135917 788291890 /nfs/dbraw/zinc/29/18/90/788291890.db2.gz ZCUZPTHOOICHCW-CGFBPQRUSA-N 1 3 318.465 2.383 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCC(C)C)C1 ZINC001133182112 788308126 /nfs/dbraw/zinc/30/81/26/788308126.db2.gz OEGKCYPMRGDCBC-SJORKVTESA-N 1 3 311.514 2.449 20 0 DEADHO C[NH+]1CCC(CN2CCN(Cc3cccnc3Cl)CC2)CC1 ZINC001137428580 788356409 /nfs/dbraw/zinc/35/64/09/788356409.db2.gz KICYLBQNDXWKNF-UHFFFAOYSA-N 1 3 322.884 2.194 20 0 DEADHO CC(C)CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C ZINC001133346607 788375166 /nfs/dbraw/zinc/37/51/66/788375166.db2.gz NGXFKYHJKSFOQM-IAGOWNOFSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)CC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C ZINC001133346609 788376190 /nfs/dbraw/zinc/37/61/90/788376190.db2.gz NGXFKYHJKSFOQM-SJORKVTESA-N 1 3 311.514 2.447 20 0 DEADHO CC[C@@H]([NH2+]CCNC(=O)CN1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC001133851007 788633290 /nfs/dbraw/zinc/63/32/90/788633290.db2.gz UQRPBYAXEXZYCD-RHSMWYFYSA-N 1 3 321.440 2.324 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)CN1CC[C@H](C)C1 ZINC001133845363 788638550 /nfs/dbraw/zinc/63/85/50/788638550.db2.gz CMNBCDKLGWPSRA-GOEBONIOSA-N 1 3 303.450 2.104 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccccc1 ZINC001134763055 789069575 /nfs/dbraw/zinc/06/95/75/789069575.db2.gz KFBZMOQWAUMHGG-QGZVFWFLSA-N 1 3 303.450 2.155 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+]Cc1ccc(C(C)C)nc1C ZINC001135511582 789381295 /nfs/dbraw/zinc/38/12/95/789381295.db2.gz UFUHBZNIILQIRA-UHFFFAOYSA-N 1 3 320.481 2.061 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccsc1 ZINC001135705550 789460247 /nfs/dbraw/zinc/46/02/47/789460247.db2.gz FGBUPOBPHDGFQK-ZIAGYGMSSA-N 1 3 311.495 2.463 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1 ZINC001135743057 789474991 /nfs/dbraw/zinc/47/49/91/789474991.db2.gz DICNDVPFTJNSRS-HZPDHXFCSA-N 1 3 305.466 2.401 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001135746133 789476522 /nfs/dbraw/zinc/47/65/22/789476522.db2.gz DPNWDSBUZREBCS-OLZOCXBDSA-N 1 3 319.440 2.246 20 0 DEADHO Cc1ncoc1CN[C@@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001135974935 789585433 /nfs/dbraw/zinc/58/54/33/789585433.db2.gz YBOKWMUAUMTWMG-KBPBESRZSA-N 1 3 324.469 2.088 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1c(C)noc1C ZINC001135976517 789586436 /nfs/dbraw/zinc/58/64/36/789586436.db2.gz KTIORRZGJXQKPI-STQMWFEESA-N 1 3 324.469 2.006 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)NCc1cnc(C)o1 ZINC001135995288 789589641 /nfs/dbraw/zinc/58/96/41/789589641.db2.gz CIILEXTWVSRTAK-UONOGXRCSA-N 1 3 324.469 2.088 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)NCc1cnc(C)o1 ZINC001135995288 789589655 /nfs/dbraw/zinc/58/96/55/789589655.db2.gz CIILEXTWVSRTAK-UONOGXRCSA-N 1 3 324.469 2.088 20 0 DEADHO CC(C)[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1C ZINC001072366054 790125040 /nfs/dbraw/zinc/12/50/40/790125040.db2.gz UZFHFGYKUPFLHP-HOTGVXAUSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@H](C[C@H](C)[NH2+]CCF)NC(=O)c1ccccc1CN(C)C ZINC001146581867 791316473 /nfs/dbraw/zinc/31/64/73/791316473.db2.gz DEKASGBOVWMZEL-UONOGXRCSA-N 1 3 309.429 2.204 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccsc1 ZINC001146602095 791321067 /nfs/dbraw/zinc/32/10/67/791321067.db2.gz RJXRQUYLZZRTNU-UONOGXRCSA-N 1 3 311.495 2.461 20 0 DEADHO CC[C@H](C)C[N@@H+]1C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@]2(C)C1 ZINC001091735552 791774288 /nfs/dbraw/zinc/77/42/88/791774288.db2.gz UZQJXBFMBYHVQY-JZXOWHBKSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@H](C)C[N@H+]1C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@]2(C)C1 ZINC001091735552 791774294 /nfs/dbraw/zinc/77/42/94/791774294.db2.gz UZQJXBFMBYHVQY-JZXOWHBKSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)C[C@]2(C)C1 ZINC001091909880 791898614 /nfs/dbraw/zinc/89/86/14/791898614.db2.gz BSNXBQFMRBCDQX-APWZRJJASA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)C[C@]2(C)C1 ZINC001091909880 791898616 /nfs/dbraw/zinc/89/86/16/791898616.db2.gz BSNXBQFMRBCDQX-APWZRJJASA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CC3CCCC3)C[C@@]2(C)C1)N(C)C ZINC001092022281 791923807 /nfs/dbraw/zinc/92/38/07/791923807.db2.gz RFNCPWVEFHLRJM-AOIWGVFYSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC3CCCC3)C[C@@]2(C)C1)N(C)C ZINC001092022281 791923810 /nfs/dbraw/zinc/92/38/10/791923810.db2.gz RFNCPWVEFHLRJM-AOIWGVFYSA-N 1 3 321.509 2.297 20 0 DEADHO CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C1CC1)N1CCCC1 ZINC001099154267 792118730 /nfs/dbraw/zinc/11/87/30/792118730.db2.gz VPNRXWBOMKSCHE-SJORKVTESA-N 1 3 321.509 2.488 20 0 DEADHO CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C1CC1)N1CCCC1 ZINC001099154267 792118735 /nfs/dbraw/zinc/11/87/35/792118735.db2.gz VPNRXWBOMKSCHE-SJORKVTESA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001099449382 792210855 /nfs/dbraw/zinc/21/08/55/792210855.db2.gz IEXICRBHRRFERH-BQFCYCMXSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001099496339 792223243 /nfs/dbraw/zinc/22/32/43/792223243.db2.gz HMJCNFUBQYWIHT-BQFCYCMXSA-N 1 3 307.482 2.097 20 0 DEADHO CCCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(CC)CC ZINC001099539111 792235528 /nfs/dbraw/zinc/23/55/28/792235528.db2.gz ZGADNVYJQASZBF-MHORFTMASA-N 1 3 321.509 2.297 20 0 DEADHO CCCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(CC)CC ZINC001099539111 792235536 /nfs/dbraw/zinc/23/55/36/792235536.db2.gz ZGADNVYJQASZBF-MHORFTMASA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C(C)C ZINC001099552322 792240422 /nfs/dbraw/zinc/24/04/22/792240422.db2.gz LJXRJUKBFPNTBE-FJIDUMEYSA-N 1 3 321.509 2.151 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C(C)C ZINC001099552322 792240426 /nfs/dbraw/zinc/24/04/26/792240426.db2.gz LJXRJUKBFPNTBE-FJIDUMEYSA-N 1 3 321.509 2.151 20 0 DEADHO CN(C)[C@@H](C(=O)NCC1CC([NH2+]Cc2ccsc2)C1)C1CC1 ZINC001100407768 792633746 /nfs/dbraw/zinc/63/37/46/792633746.db2.gz ISIRPCILAIGVDB-AVVWSFFYSA-N 1 3 321.490 2.073 20 0 DEADHO CN(C)[C@@H](C(=O)NCC1CC([NH2+]CCCC2CCC2)C1)C1CC1 ZINC001100407612 792633896 /nfs/dbraw/zinc/63/38/96/792633896.db2.gz CFIKJMONKWEVMP-VMWRSERWSA-N 1 3 321.509 2.391 20 0 DEADHO CC/C=C/CC[NH2+]C1CC(CNC(=O)CN2CCC[C@@H]2C)C1 ZINC001100676365 792783141 /nfs/dbraw/zinc/78/31/41/792783141.db2.gz MHBNZCQFAQAPHX-MGXIWDSBSA-N 1 3 307.482 2.311 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CCCF)C1 ZINC001100729815 792816355 /nfs/dbraw/zinc/81/63/55/792816355.db2.gz QOZPFUAAFUBKKK-UYSNPLJNSA-N 1 3 313.461 2.093 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1cc(C)sc1C ZINC001171787206 793212961 /nfs/dbraw/zinc/21/29/61/793212961.db2.gz MUPFVNKUUACYRO-UHFFFAOYSA-N 1 3 311.495 2.303 20 0 DEADHO CCOC(=O)C1(C)CCC([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)CC1 ZINC001171952228 793256155 /nfs/dbraw/zinc/25/61/55/793256155.db2.gz SRFXIMYIGAESFP-MHAAMQRSSA-N 1 3 308.466 2.382 20 0 DEADHO CCOC(=O)C1(C)CCC([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)CC1 ZINC001171952228 793256167 /nfs/dbraw/zinc/25/61/67/793256167.db2.gz SRFXIMYIGAESFP-MHAAMQRSSA-N 1 3 308.466 2.382 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@H]2CCN(C3CC3)C(=O)C2)C1 ZINC001172000754 793273954 /nfs/dbraw/zinc/27/39/54/793273954.db2.gz SQKWQVJVPJDHOA-XHSDSOJGSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2CCN(C3CC3)C(=O)C2)C1 ZINC001172000754 793273960 /nfs/dbraw/zinc/27/39/60/793273960.db2.gz SQKWQVJVPJDHOA-XHSDSOJGSA-N 1 3 307.482 2.097 20 0 DEADHO OCCOCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172069587 793316647 /nfs/dbraw/zinc/31/66/47/793316647.db2.gz VKMYYLMTVXCDCP-LDLYASANSA-N 1 3 318.461 2.171 20 0 DEADHO OCCOCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069587 793316656 /nfs/dbraw/zinc/31/66/56/793316656.db2.gz VKMYYLMTVXCDCP-LDLYASANSA-N 1 3 318.461 2.171 20 0 DEADHO CCNC(=O)OC1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172127982 793320408 /nfs/dbraw/zinc/32/04/08/793320408.db2.gz MSJJCUKDGSWXDF-FICVDOATSA-N 1 3 309.454 2.212 20 0 DEADHO CCNC(=O)OC1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172127982 793320414 /nfs/dbraw/zinc/32/04/14/793320414.db2.gz MSJJCUKDGSWXDF-FICVDOATSA-N 1 3 309.454 2.212 20 0 DEADHO Cc1cnc(O[C@H]2CCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)nc1 ZINC001172132326 793321626 /nfs/dbraw/zinc/32/16/26/793321626.db2.gz KIAWIJGRLJNAFP-HZMVEIRTSA-N 1 3 316.449 2.253 20 0 DEADHO Cc1cnc(O[C@H]2CCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)nc1 ZINC001172132326 793321634 /nfs/dbraw/zinc/32/16/34/793321634.db2.gz KIAWIJGRLJNAFP-HZMVEIRTSA-N 1 3 316.449 2.253 20 0 DEADHO C[C@H](CN)C[N@H+](Cc1ccccc1)[C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172153585 793350967 /nfs/dbraw/zinc/35/09/67/793350967.db2.gz DGKBJBLESIEPKD-NXHRZFHOSA-N 1 3 315.461 2.237 20 0 DEADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172153585 793350975 /nfs/dbraw/zinc/35/09/75/793350975.db2.gz DGKBJBLESIEPKD-NXHRZFHOSA-N 1 3 315.461 2.237 20 0 DEADHO C[C@H](C[NH3+])CN(Cc1ccccc1)[C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172153585 793350984 /nfs/dbraw/zinc/35/09/84/793350984.db2.gz DGKBJBLESIEPKD-NXHRZFHOSA-N 1 3 315.461 2.237 20 0 DEADHO CC[NH+](CC)CCCN[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172661774 793466779 /nfs/dbraw/zinc/46/67/79/793466779.db2.gz OUWJENRFDIXFFW-SFHVURJKSA-N 1 3 317.477 2.499 20 0 DEADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](CC[C@H](C)F)C[C@H]1C ZINC001102104482 793505838 /nfs/dbraw/zinc/50/58/38/793505838.db2.gz YJCDOUZHMFGIMC-QLFBSQMISA-N 1 3 315.477 2.149 20 0 DEADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](CC[C@H](C)F)C[C@H]1C ZINC001102104482 793505839 /nfs/dbraw/zinc/50/58/39/793505839.db2.gz YJCDOUZHMFGIMC-QLFBSQMISA-N 1 3 315.477 2.149 20 0 DEADHO CCC[NH2+][C@H]1CCc2c(sc(=N)n2[C@@H]2CCN(CC)C2)C1 ZINC001173365717 793705235 /nfs/dbraw/zinc/70/52/35/793705235.db2.gz OJASNYAFGKORRK-QWHCGFSZSA-N 1 3 308.495 2.153 20 0 DEADHO COC(=O)c1ccc(C[C@H](C)[NH2+]CC[C@@H]2CCCN2C)cc1 ZINC001173711429 793818248 /nfs/dbraw/zinc/81/82/48/793818248.db2.gz IKGNCHYELSDFKB-YOEHRIQHSA-N 1 3 304.434 2.478 20 0 DEADHO CC(C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001103439715 794094285 /nfs/dbraw/zinc/09/42/85/794094285.db2.gz QHTLZIQEZJOKCO-HZPDHXFCSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001103439715 794094294 /nfs/dbraw/zinc/09/42/94/794094294.db2.gz QHTLZIQEZJOKCO-HZPDHXFCSA-N 1 3 311.514 2.447 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1cc(C)no1)N(C)C ZINC001175318133 794181039 /nfs/dbraw/zinc/18/10/39/794181039.db2.gz WCUNZLBTPYYXOS-CJNGLKHVSA-N 1 3 324.469 2.088 20 0 DEADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](C[C@H](F)CC)C[C@H]1C ZINC001103663863 794181646 /nfs/dbraw/zinc/18/16/46/794181646.db2.gz YGVJVBYNVDOUQY-BZUAXINKSA-N 1 3 315.477 2.151 20 0 DEADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](C[C@H](F)CC)C[C@H]1C ZINC001103663863 794181649 /nfs/dbraw/zinc/18/16/49/794181649.db2.gz YGVJVBYNVDOUQY-BZUAXINKSA-N 1 3 315.477 2.151 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)CCCC[NH2+]C/C=C\Cl ZINC001175787809 794289202 /nfs/dbraw/zinc/28/92/02/794289202.db2.gz XMUUCKRUDLWJER-GDAGCXPBSA-N 1 3 303.878 2.345 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]C/C=C\Cl)CCCCC1)N(C)C ZINC001115593284 794831898 /nfs/dbraw/zinc/83/18/98/794831898.db2.gz GRFSRRVFISADCP-KOTGUFOOSA-N 1 3 315.889 2.488 20 0 DEADHO CN(C)C1(C(=O)NCCCCCC[NH2+]C/C=C/Cl)CCC1 ZINC001178693403 794977072 /nfs/dbraw/zinc/97/70/72/794977072.db2.gz PWHAJSCOWTUMRE-DHZHZOJOSA-N 1 3 315.889 2.489 20 0 DEADHO C[C@H]1[C@@H](NCc2ccccc2F)CCN1C(=O)CCC[NH+](C)C ZINC001179435478 795113875 /nfs/dbraw/zinc/11/38/75/795113875.db2.gz RFUCYQKICVBOPK-YOEHRIQHSA-N 1 3 321.440 2.247 20 0 DEADHO CC(C)CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC001179779354 795169798 /nfs/dbraw/zinc/16/97/98/795169798.db2.gz KYPVHLJHYWPVSB-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2)[C@@H]1C ZINC001179982581 795213629 /nfs/dbraw/zinc/21/36/29/795213629.db2.gz AHGFIMHKRCOSHF-WMZOPIPTSA-N 1 3 317.477 2.416 20 0 DEADHO CCCN(C)CC(=O)NCCCCCC[NH2+]CC[C@@H](C)F ZINC001180123289 795244505 /nfs/dbraw/zinc/24/45/05/795244505.db2.gz FMWABMHVCNJUSO-OAHLLOKOSA-N 1 3 303.466 2.343 20 0 DEADHO CC[C@H](C[NH2+]CCCCCCNC(=O)CN(C)C(C)C)OC ZINC001180369751 795292564 /nfs/dbraw/zinc/29/25/64/795292564.db2.gz VLDVNNQGJZDOGY-MRXNPFEDSA-N 1 3 315.502 2.018 20 0 DEADHO C[C@H](C(=O)N1CCC2(CCC[N@@H+]2CC2CC2)CC1)N1CCCC1 ZINC001180577742 795324302 /nfs/dbraw/zinc/32/43/02/795324302.db2.gz CTYNHDIQMXCPQS-MRXNPFEDSA-N 1 3 319.493 2.338 20 0 DEADHO C[C@H](C(=O)N1CCC2(CCC[N@H+]2CC2CC2)CC1)N1CCCC1 ZINC001180577742 795324309 /nfs/dbraw/zinc/32/43/09/795324309.db2.gz CTYNHDIQMXCPQS-MRXNPFEDSA-N 1 3 319.493 2.338 20 0 DEADHO CCN(C)C(C)(C)C(=O)NC1CC2(C1)CC([NH2+]CC1CC1)C2 ZINC001121325613 795617420 /nfs/dbraw/zinc/61/74/20/795617420.db2.gz JGALQASSFOWBRD-UHFFFAOYSA-N 1 3 307.482 2.144 20 0 DEADHO CCN(CC)CC(=O)NC1CC2(C1)CC([NH2+]CCC1CC1)C2 ZINC001121935535 795706565 /nfs/dbraw/zinc/70/65/65/795706565.db2.gz RZGBURDDPNPGMA-UHFFFAOYSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)N(C)CC(=O)NC1CC2(C1)CC([NH2+]C/C=C/Cl)C2 ZINC001122243074 795739382 /nfs/dbraw/zinc/73/93/82/795739382.db2.gz ZMZPJDTYCAYEPV-SNAWJCMRSA-N 1 3 313.873 2.096 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)NC[C@@H]2CCCCC[NH2+]2)cc(Cl)n1 ZINC001122390391 795753549 /nfs/dbraw/zinc/75/35/49/795753549.db2.gz ASALXILAONUQOB-KBPBESRZSA-N 1 3 324.856 2.082 20 0 DEADHO COc1cc(CN2CCC[C@](O)(C[NH3+])CC2)ccc1SC ZINC001205255114 795806201 /nfs/dbraw/zinc/80/62/01/795806201.db2.gz HAHBZPRNTISOMP-MRXNPFEDSA-N 1 3 310.463 2.093 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C1)C1CC1 ZINC001183268749 795843238 /nfs/dbraw/zinc/84/32/38/795843238.db2.gz WIDGFXKJDZDHGN-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CC2)C1 ZINC001183516914 795879098 /nfs/dbraw/zinc/87/90/98/795879098.db2.gz FLZVKHWFJMCMRC-SZVBFZGTSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC2CC2)C1 ZINC001183509522 795883727 /nfs/dbraw/zinc/88/37/27/795883727.db2.gz KDPNKXODVMCHHU-CRAIPNDOSA-N 1 3 309.498 2.201 20 0 DEADHO CCCC[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001184565135 796084311 /nfs/dbraw/zinc/08/43/11/796084311.db2.gz FPGZNANCLGKYGD-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CCC[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001185170818 796202512 /nfs/dbraw/zinc/20/25/12/796202512.db2.gz RZTXAJMXOFTCIL-HZPDHXFCSA-N 1 3 309.498 2.203 20 0 DEADHO [O-]c1cccnc1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001138391902 796212338 /nfs/dbraw/zinc/21/23/38/796212338.db2.gz ZTNYAWMGDNVDTP-UHFFFAOYSA-N 1 3 319.449 2.112 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H](C[NH2+]C/C=C/Cl)[C@H](C)C1 ZINC001185357363 796237945 /nfs/dbraw/zinc/23/79/45/796237945.db2.gz CRSIMIDIBNJCPN-OCESRQBRSA-N 1 3 315.889 2.155 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CC=C(C)C)[C@@H](C)C1 ZINC001185546209 796289024 /nfs/dbraw/zinc/28/90/24/796289024.db2.gz BEEDCFWNJHBADQ-IRXDYDNUSA-N 1 3 309.498 2.369 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001186453124 796403033 /nfs/dbraw/zinc/40/30/33/796403033.db2.gz XZHRTMCCSXBBDG-IBWPDUFMSA-N 1 3 315.461 2.232 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2ccccc2F)C1 ZINC001187276374 796512211 /nfs/dbraw/zinc/51/22/11/796512211.db2.gz HYDWWEQTHSILHQ-MRXNPFEDSA-N 1 3 321.440 2.248 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2ccccc2F)C1 ZINC001187276374 796512217 /nfs/dbraw/zinc/51/22/17/796512217.db2.gz HYDWWEQTHSILHQ-MRXNPFEDSA-N 1 3 321.440 2.248 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001187284525 796514325 /nfs/dbraw/zinc/51/43/25/796514325.db2.gz ZNPMTJJPQYFHMB-QGZVFWFLSA-N 1 3 303.450 2.027 20 0 DEADHO Cc1cc(CN2CCN(CC3CC[NH+](C)CC3)CC2)ccc1O ZINC001140575946 796540056 /nfs/dbraw/zinc/54/00/56/796540056.db2.gz FOPLSMOJIUBTRJ-UHFFFAOYSA-N 1 3 317.477 2.160 20 0 DEADHO Cc1c[nH]c(CN2CCN(CC3CC[NH+](C)CC3)CC2)c1C ZINC001140864514 796586668 /nfs/dbraw/zinc/58/66/68/796586668.db2.gz ULSGQVCHRBZHSN-UHFFFAOYSA-N 1 3 304.482 2.091 20 0 DEADHO CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001190667540 797043674 /nfs/dbraw/zinc/04/36/74/797043674.db2.gz VFPDMLHIFMJBAG-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001190667540 797043679 /nfs/dbraw/zinc/04/36/79/797043679.db2.gz VFPDMLHIFMJBAG-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)=CCN(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001190653551 797050611 /nfs/dbraw/zinc/05/06/11/797050611.db2.gz DMWNWKLANCKSFJ-MSOLQXFVSA-N 1 3 321.509 2.463 20 0 DEADHO CC(C)=CCN(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001190653551 797050617 /nfs/dbraw/zinc/05/06/17/797050617.db2.gz DMWNWKLANCKSFJ-MSOLQXFVSA-N 1 3 321.509 2.463 20 0 DEADHO CC/C=C\CC[NH2+]CCNC(=O)c1cccc(CN(C)C)c1 ZINC001152245654 797162657 /nfs/dbraw/zinc/16/26/57/797162657.db2.gz JYPXMTDXFOKFKY-WAYWQWQTSA-N 1 3 303.450 2.424 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cc(F)ccc1C ZINC001152444930 797188174 /nfs/dbraw/zinc/18/81/74/797188174.db2.gz CCBUZWHFFGCPCC-QGZVFWFLSA-N 1 3 321.440 2.214 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CCCC3CCC3)C2)C1 ZINC001192355691 797372456 /nfs/dbraw/zinc/37/24/56/797372456.db2.gz SNEZNXOUJJQOQA-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CCCC3CCC3)C2)C1 ZINC001192355691 797372463 /nfs/dbraw/zinc/37/24/63/797372463.db2.gz SNEZNXOUJJQOQA-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001192356179 797372663 /nfs/dbraw/zinc/37/26/63/797372663.db2.gz WVXFYJUENJYILY-RDJZCZTQSA-N 1 3 309.498 2.297 20 0 DEADHO CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001192356179 797372669 /nfs/dbraw/zinc/37/26/69/797372669.db2.gz WVXFYJUENJYILY-RDJZCZTQSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H](F)CC[N@H+](C)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001192406922 797386453 /nfs/dbraw/zinc/38/64/53/797386453.db2.gz PEQCMDYGPZAGDE-GJZGRUSLSA-N 1 3 315.477 2.245 20 0 DEADHO C[C@H](F)CC[N@@H+](C)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001192406922 797386460 /nfs/dbraw/zinc/38/64/60/797386460.db2.gz PEQCMDYGPZAGDE-GJZGRUSLSA-N 1 3 315.477 2.245 20 0 DEADHO CC[N@H+](CCCCCF)[C@H](C)CNC(=O)[C@H](C1CC1)N(C)C ZINC001153823969 797404880 /nfs/dbraw/zinc/40/48/80/797404880.db2.gz GGKNXJDMDGOXGY-ZBFHGGJFSA-N 1 3 315.477 2.293 20 0 DEADHO CC[N@@H+](CCCCCF)[C@H](C)CNC(=O)[C@H](C1CC1)N(C)C ZINC001153823969 797404884 /nfs/dbraw/zinc/40/48/84/797404884.db2.gz GGKNXJDMDGOXGY-ZBFHGGJFSA-N 1 3 315.477 2.293 20 0 DEADHO CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192549940 797405183 /nfs/dbraw/zinc/40/51/83/797405183.db2.gz CMIWLZGUOFCXNY-SQRWCISFSA-N 1 3 304.438 2.231 20 0 DEADHO CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192549940 797405186 /nfs/dbraw/zinc/40/51/86/797405186.db2.gz CMIWLZGUOFCXNY-SQRWCISFSA-N 1 3 304.438 2.231 20 0 DEADHO CCC/C=C/CC[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192549937 797405272 /nfs/dbraw/zinc/40/52/72/797405272.db2.gz CMIWLZGUOFCXNY-JFDDCEBESA-N 1 3 304.438 2.231 20 0 DEADHO CCC/C=C/CC[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192549937 797405274 /nfs/dbraw/zinc/40/52/74/797405274.db2.gz CMIWLZGUOFCXNY-JFDDCEBESA-N 1 3 304.438 2.231 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)CCCF)C1 ZINC001192904739 797468367 /nfs/dbraw/zinc/46/83/67/797468367.db2.gz CFTZYVIDBWMDQY-MRXNPFEDSA-N 1 3 315.477 2.391 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCCF)C1 ZINC001192904739 797468371 /nfs/dbraw/zinc/46/83/71/797468371.db2.gz CFTZYVIDBWMDQY-MRXNPFEDSA-N 1 3 315.477 2.391 20 0 DEADHO C[C@@H]1CCN(Cc2cn(C)nc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC001205638713 797595218 /nfs/dbraw/zinc/59/52/18/797595218.db2.gz RHHFPMPDUFZZRH-MNOVXSKESA-N 1 3 304.360 2.246 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]([N@H+](C)CCCF)C2)c1 ZINC001194228228 797695868 /nfs/dbraw/zinc/69/58/68/797695868.db2.gz QBWBIORXLGRHJV-QGZVFWFLSA-N 1 3 321.440 2.254 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]([N@@H+](C)CCCF)C2)c1 ZINC001194228228 797695872 /nfs/dbraw/zinc/69/58/72/797695872.db2.gz QBWBIORXLGRHJV-QGZVFWFLSA-N 1 3 321.440 2.254 20 0 DEADHO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1cc2[nH]ccc2c(C)n1 ZINC001155231142 797713501 /nfs/dbraw/zinc/71/35/01/797713501.db2.gz OFJKZLPZNBTKDA-HNNXBMFYSA-N 1 3 318.421 2.414 20 0 DEADHO CCN(CC)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1cccc(F)c1 ZINC001155900153 797876211 /nfs/dbraw/zinc/87/62/11/797876211.db2.gz COMLYXMVZMBIBK-OAHLLOKOSA-N 1 3 323.456 2.494 20 0 DEADHO CCN(CC)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cccc(F)c1 ZINC001155900153 797876216 /nfs/dbraw/zinc/87/62/16/797876216.db2.gz COMLYXMVZMBIBK-OAHLLOKOSA-N 1 3 323.456 2.494 20 0 DEADHO C[NH+](C)C1(CC(=O)N2CCCN(CCCF)CC2)CCCC1 ZINC001196641945 798082366 /nfs/dbraw/zinc/08/23/66/798082366.db2.gz UUSGJHLFWTVLDT-UHFFFAOYSA-N 1 3 313.461 2.145 20 0 DEADHO CN(Cc1ccc(N2C[C@H]3[C@H](C2)CCC[N@@H+]3C)nc1)C1CC1 ZINC001157272581 798175468 /nfs/dbraw/zinc/17/54/68/798175468.db2.gz ORGMAGNGIFNSSD-RDJZCZTQSA-N 1 3 300.450 2.206 20 0 DEADHO CN(Cc1ccc(N2C[C@H]3[C@H](C2)CCC[N@H+]3C)nc1)C1CC1 ZINC001157272581 798175470 /nfs/dbraw/zinc/17/54/70/798175470.db2.gz ORGMAGNGIFNSSD-RDJZCZTQSA-N 1 3 300.450 2.206 20 0 DEADHO CCC[NH+]1C[C@@H]2CN(c3ccc(CN(C)C4CC4)cn3)C[C@H]2C1 ZINC001157700100 798261784 /nfs/dbraw/zinc/26/17/84/798261784.db2.gz NXCMIVCXKWHLNN-IAGOWNOFSA-N 1 3 314.477 2.454 20 0 DEADHO Cc1cnc(N2CCN(CC3CC[NH+](C)CC3)CC2)c(C)c1 ZINC001157837730 798290292 /nfs/dbraw/zinc/29/02/92/798290292.db2.gz GUUXCUVQKGCZEC-UHFFFAOYSA-N 1 3 302.466 2.162 20 0 DEADHO CN(CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCF)C1CCC1 ZINC001158090209 798340054 /nfs/dbraw/zinc/34/00/54/798340054.db2.gz OLIOTOVEUSJSSP-MRXNPFEDSA-N 1 3 313.461 2.143 20 0 DEADHO CN(CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCF)C1CCC1 ZINC001158090209 798340061 /nfs/dbraw/zinc/34/00/61/798340061.db2.gz OLIOTOVEUSJSSP-MRXNPFEDSA-N 1 3 313.461 2.143 20 0 DEADHO CCC[NH2+][C@@H](CNC(=O)[C@H](CC)N(C)C)c1ccccc1OC ZINC001198902929 798408958 /nfs/dbraw/zinc/40/89/58/798408958.db2.gz RVNGHWKNKHPJEU-HOTGVXAUSA-N 1 3 321.465 2.192 20 0 DEADHO CCC[NH2+][C@H](CNC(=O)[C@H](CC)N(C)C)c1ccccc1OC ZINC001198902927 798409010 /nfs/dbraw/zinc/40/90/10/798409010.db2.gz RVNGHWKNKHPJEU-CVEARBPZSA-N 1 3 321.465 2.192 20 0 DEADHO CCN(CC)CC(=O)NC[C@@H]([NH2+]C(C)C)c1ccccc1OC ZINC001198941592 798417621 /nfs/dbraw/zinc/41/76/21/798417621.db2.gz XBZFQXKWOACRJU-MRXNPFEDSA-N 1 3 321.465 2.192 20 0 DEADHO CCCN[C@@H](CNC(=O)CC[N@H+](C)CC)c1ccccc1OC ZINC001198953314 798419322 /nfs/dbraw/zinc/41/93/22/798419322.db2.gz NMIQCUATQXQPHH-INIZCTEOSA-N 1 3 321.465 2.194 20 0 DEADHO CCCN[C@@H](CNC(=O)CC[N@@H+](C)CC)c1ccccc1OC ZINC001198953314 798419325 /nfs/dbraw/zinc/41/93/25/798419325.db2.gz NMIQCUATQXQPHH-INIZCTEOSA-N 1 3 321.465 2.194 20 0 DEADHO Cc1nc(N(C2CC[NH2+]CC2)C2CCN(C)CC2)ccc1F ZINC001158575030 798433409 /nfs/dbraw/zinc/43/34/09/798433409.db2.gz GYEPZCRYYZALAY-UHFFFAOYSA-N 1 3 306.429 2.182 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001199787705 798538965 /nfs/dbraw/zinc/53/89/65/798538965.db2.gz COVGBCVVJDQFOX-NVXWUHKLSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)CN(C)C2CCC2)cc1C ZINC001159997596 798638428 /nfs/dbraw/zinc/63/84/28/798638428.db2.gz SYVUXXLSOLVUQA-UHFFFAOYSA-N 1 3 317.477 2.384 20 0 DEADHO Nc1cccc(F)c1N(CC1CC[NH2+]CC1)C1=CNCCC1 ZINC001160123556 798650540 /nfs/dbraw/zinc/65/05/40/798650540.db2.gz GAAKFMMUDCBINC-UHFFFAOYSA-N 1 3 304.413 2.439 20 0 DEADHO CCCC[N@H+]1CC=C(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001160359814 798679443 /nfs/dbraw/zinc/67/94/43/798679443.db2.gz BLPQTZWTBKCPJS-UHFFFAOYSA-N 1 3 307.482 2.409 20 0 DEADHO CCCC[N@@H+]1CC=C(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001160359814 798679446 /nfs/dbraw/zinc/67/94/46/798679446.db2.gz BLPQTZWTBKCPJS-UHFFFAOYSA-N 1 3 307.482 2.409 20 0 DEADHO CNC(=O)C[N@@H+]1CCCC12CCN(C[C@@H]1CC=CCC1)CC2 ZINC001201409695 798753959 /nfs/dbraw/zinc/75/39/59/798753959.db2.gz XFAFYMDSSUMSGB-MRXNPFEDSA-N 1 3 305.466 2.019 20 0 DEADHO CNC(=O)C[N@H+]1CCCC12CCN(C[C@@H]1CC=CCC1)CC2 ZINC001201409695 798753961 /nfs/dbraw/zinc/75/39/61/798753961.db2.gz XFAFYMDSSUMSGB-MRXNPFEDSA-N 1 3 305.466 2.019 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+][C@H](C)c1cccc(OC)c1)N(C)C ZINC001160890022 798756266 /nfs/dbraw/zinc/75/62/66/798756266.db2.gz SUFWHALIRSMUNM-RHSMWYFYSA-N 1 3 321.465 2.192 20 0 DEADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@@H]1c1ccc(F)cc1F ZINC001160939587 798766318 /nfs/dbraw/zinc/76/63/18/798766318.db2.gz COAWAOCXULEPRP-LSDHHAIUSA-N 1 3 311.376 2.085 20 0 DEADHO C[NH2+][C@@H](CC(C)C)C(=O)N(C)CCN(C)Cc1ccccc1 ZINC001161160735 798803223 /nfs/dbraw/zinc/80/32/23/798803223.db2.gz FECVNUMMJSPIIF-KRWDZBQOSA-N 1 3 305.466 2.211 20 0 DEADHO CC(C)=CC[N@H+]1CC=C(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001161212788 798811086 /nfs/dbraw/zinc/81/10/86/798811086.db2.gz ALEMOKFUBBWDFN-QGZVFWFLSA-N 1 3 319.493 2.433 20 0 DEADHO CC(C)=CC[N@@H+]1CC=C(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001161212788 798811090 /nfs/dbraw/zinc/81/10/90/798811090.db2.gz ALEMOKFUBBWDFN-QGZVFWFLSA-N 1 3 319.493 2.433 20 0 DEADHO COCCC1([NH3+])CCN(c2ccc(CN3CCCC3)cn2)CC1 ZINC001162046542 799001717 /nfs/dbraw/zinc/00/17/17/799001717.db2.gz PPRQNOUSBDRVOB-UHFFFAOYSA-N 1 3 318.465 2.012 20 0 DEADHO CC(C)(C)C(=O)Nc1ccc(CN)nc1N[C@H]1CCC[C@H]([NH3+])C1 ZINC001162391134 799075790 /nfs/dbraw/zinc/07/57/90/799075790.db2.gz AABARNVWQVHSNI-RYUDHWBXSA-N 1 3 319.453 2.207 20 0 DEADHO CCC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC001114405457 799089304 /nfs/dbraw/zinc/08/93/04/799089304.db2.gz SMPYMNIBDKLYEV-MGOZUQHYSA-N 1 3 319.493 2.264 20 0 DEADHO CCC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC001114405457 799089310 /nfs/dbraw/zinc/08/93/10/799089310.db2.gz SMPYMNIBDKLYEV-MGOZUQHYSA-N 1 3 319.493 2.264 20 0 DEADHO C[C@H]1C[NH2+]CCC[C@H]1CNc1ccc(N2CCN(C)CC2)cc1 ZINC001162465476 799094389 /nfs/dbraw/zinc/09/43/89/799094389.db2.gz HHEXQOKHHWJWQR-IRXDYDNUSA-N 1 3 316.493 2.486 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC3CCC3)C[C@H]21 ZINC001114488430 799147966 /nfs/dbraw/zinc/14/79/66/799147966.db2.gz NHDWYPOPUFQMDQ-FVQHAEBGSA-N 1 3 321.509 2.343 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]21 ZINC001114488430 799147970 /nfs/dbraw/zinc/14/79/70/799147970.db2.gz NHDWYPOPUFQMDQ-FVQHAEBGSA-N 1 3 321.509 2.343 20 0 DEADHO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ccc2nc[nH]c2c1C ZINC001162734155 799160867 /nfs/dbraw/zinc/16/08/67/799160867.db2.gz YWLXGOWKMNDEMP-OAHLLOKOSA-N 1 3 318.421 2.414 20 0 DEADHO CC[NH+](CC)CCNC(=N)Nc1nc(Cl)ncc1Cl ZINC001163122611 799251811 /nfs/dbraw/zinc/25/18/11/799251811.db2.gz NQCRPDODNYAMBX-UHFFFAOYSA-N 1 3 305.213 2.061 20 0 DEADHO CCN(CC)CCNC(=[NH2+])Nc1cc(-c2ccccc2)ncn1 ZINC001163128983 799253508 /nfs/dbraw/zinc/25/35/08/799253508.db2.gz RCAGNJHKZQFOLA-UHFFFAOYSA-N 1 3 312.421 2.422 20 0 DEADHO FC(F)(F)c1ccc2nccc(NC[C@@]34C[NH2+][C@@H](CO3)C4)c2c1 ZINC001163202554 799275985 /nfs/dbraw/zinc/27/59/85/799275985.db2.gz JTJSSTGRRHGQHJ-IAQYHMDHSA-N 1 3 323.318 2.218 20 0 DEADHO c1cc2c(s1)[C@H](Nc1c[nH+]ccc1N1CCOCC1)CNC2 ZINC001163228966 799282766 /nfs/dbraw/zinc/28/27/66/799282766.db2.gz NCHQABZYDZMHBZ-CQSZACIVSA-N 1 3 316.430 2.236 20 0 DEADHO CN(C)C1(CNc2ccc(-n3cccc3)cn2)CC[NH+](C)CC1 ZINC001164211047 799539460 /nfs/dbraw/zinc/53/94/60/799539460.db2.gz LDVJYURVKFOWCP-UHFFFAOYSA-N 1 3 313.449 2.310 20 0 DEADHO Cc1cc(NCC2(N(C)C)CC[NH+](C)CC2)nc2cc[nH]c21 ZINC001164216990 799542822 /nfs/dbraw/zinc/54/28/22/799542822.db2.gz OWORWMNSOXSZEI-UHFFFAOYSA-N 1 3 301.438 2.309 20 0 DEADHO [NH3+]C1CC2(C1)CCN(c1cc(Cl)nc3c1CCNC3)CC2 ZINC001165244002 799683502 /nfs/dbraw/zinc/68/35/02/799683502.db2.gz RZVZGFXPVOBKMS-UHFFFAOYSA-N 1 3 306.841 2.088 20 0 DEADHO Clc1cc(N2CCC3(CCCC[NH2+]3)CC2)c2c(n1)CNCC2 ZINC001165248262 799686507 /nfs/dbraw/zinc/68/65/07/799686507.db2.gz HQMIMHXRNNKDBI-UHFFFAOYSA-N 1 3 320.868 2.493 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC1(C[NH2+]C/C=C/Cl)CC1)N(C)C ZINC001165627685 799752355 /nfs/dbraw/zinc/75/23/55/799752355.db2.gz MZOZOJIKFJXWFE-KVEVGEHQSA-N 1 3 315.889 2.201 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCC1(C[NH2+]C/C=C/Cl)CC1 ZINC001165809475 799777341 /nfs/dbraw/zinc/77/73/41/799777341.db2.gz GFNSQIVKSZBNCX-UXBLZVDNSA-N 1 3 315.889 2.345 20 0 DEADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110956493 799795990 /nfs/dbraw/zinc/79/59/90/799795990.db2.gz LDHSZOJSFHBJAS-OAGGEKHMSA-N 1 3 305.466 2.016 20 0 DEADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+](C)C)C3)cc1 ZINC001110976085 799805513 /nfs/dbraw/zinc/80/55/13/799805513.db2.gz AWGRHZWZFPKVDX-KURKYZTESA-N 1 3 315.461 2.168 20 0 DEADHO Cc1cc(C[NH2+]CCCNC(=O)CN2CCC[C@H]2C)cs1 ZINC001166626663 799904353 /nfs/dbraw/zinc/90/43/53/799904353.db2.gz IVBZTRYYHNODGK-CYBMUJFWSA-N 1 3 309.479 2.137 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CC1CCC(C)CC1 ZINC001166626206 799904646 /nfs/dbraw/zinc/90/46/46/799904646.db2.gz CHIMZHPPHLVWAS-AQFXKWCLSA-N 1 3 309.498 2.393 20 0 DEADHO CCc1ccc(C[NH2+]CCCNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001166677221 799917646 /nfs/dbraw/zinc/91/76/46/799917646.db2.gz HJPQSPXELZIYIJ-INIZCTEOSA-N 1 3 317.477 2.187 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+][C@@H]1CCc2c1cccc2F)N(C)C ZINC001166852076 799965751 /nfs/dbraw/zinc/96/57/51/799965751.db2.gz LLNZVZKCLVGPBD-SJORKVTESA-N 1 3 321.440 2.249 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+]CCCc1cccc(F)c1)N(C)C ZINC001166858304 799967167 /nfs/dbraw/zinc/96/71/67/799967167.db2.gz OTVJBLTUEDJTJL-KRWDZBQOSA-N 1 3 323.456 2.194 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1cc(C)ccc1F)N(C)C ZINC001166866889 799969140 /nfs/dbraw/zinc/96/91/40/799969140.db2.gz YIZGBBFYRVPGCQ-INIZCTEOSA-N 1 3 309.429 2.070 20 0 DEADHO COc1cc2cc[nH+]c(N3CC[C@@H](N)C(F)(F)C3)c2cc1OC ZINC001166959534 799990277 /nfs/dbraw/zinc/99/02/77/799990277.db2.gz ZFGPVBLFAGJAFF-CQSZACIVSA-N 1 3 323.343 2.425 20 0 DEADHO C[NH+](C)CCCOc1ccc(-c2ccc3c(n2)CNCC3)cn1 ZINC001205211071 800318246 /nfs/dbraw/zinc/31/82/46/800318246.db2.gz BANXMXBTAIZPIY-UHFFFAOYSA-N 1 3 312.417 2.120 20 0 DEADHO C[C@@]1([NH3+])CCCN(Cc2ccc(CN3CCOCC3)cc2)CC1 ZINC001205263889 800333293 /nfs/dbraw/zinc/33/32/93/800333293.db2.gz FDNKLFDQSLJQGW-LJQANCHMSA-N 1 3 317.477 2.222 20 0 DEADHO COC(=O)c1cc(F)ccc1CN1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206036787 800462724 /nfs/dbraw/zinc/46/27/24/800462724.db2.gz PXAFOUIIYOBHCH-OLZOCXBDSA-N 1 3 308.397 2.419 20 0 DEADHO COc1cc(C[N@@H+]2CC[C@H](N)[C@@H](F)CC2)ccc1-n1ccnc1 ZINC001206195958 800488799 /nfs/dbraw/zinc/48/87/99/800488799.db2.gz AHJXMGGGQZPWMF-GJZGRUSLSA-N 1 3 318.396 2.142 20 0 DEADHO COc1cc(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)ccc1-n1ccnc1 ZINC001206195958 800488801 /nfs/dbraw/zinc/48/88/01/800488801.db2.gz AHJXMGGGQZPWMF-GJZGRUSLSA-N 1 3 318.396 2.142 20 0 DEADHO CN1CC[C@H](NC(=O)CC[NH2+]C(C)(C)C)[C@H]1c1ccccc1 ZINC000935117558 800565990 /nfs/dbraw/zinc/56/59/90/800565990.db2.gz GNDWRZIVZAXXPO-DOTOQJQBSA-N 1 3 303.450 2.326 20 0 DEADHO CC(C)C[NH2+]CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001206683462 800573232 /nfs/dbraw/zinc/57/32/32/800573232.db2.gz ICCYETRUSMUIMY-UHFFFAOYSA-N 1 3 309.498 2.203 20 0 DEADHO C[NH+](C)CC(C)(C)CN1C[C@@H]2C(=O)N(c3ccccc3)C[C@@H]2C1 ZINC001207282684 800721988 /nfs/dbraw/zinc/72/19/88/800721988.db2.gz UTLJGKDUUGYRIC-RDJZCZTQSA-N 1 3 315.461 2.169 20 0 DEADHO CN(C)CC(C)(C)C[N@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001207279602 800722696 /nfs/dbraw/zinc/72/26/96/800722696.db2.gz LUOWCPQMUQWZAO-HDICACEKSA-N 1 3 316.493 2.033 20 0 DEADHO CN(C)CC(C)(C)C[N@@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001207279602 800722702 /nfs/dbraw/zinc/72/27/02/800722702.db2.gz LUOWCPQMUQWZAO-HDICACEKSA-N 1 3 316.493 2.033 20 0 DEADHO C[NH+](C)CCN1CCN(CCCc2ccc(Cl)cc2)CC1 ZINC001207593714 800785385 /nfs/dbraw/zinc/78/53/85/800785385.db2.gz YWBFVTFVHGIVEG-UHFFFAOYSA-N 1 3 309.885 2.452 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000935987206 800820353 /nfs/dbraw/zinc/82/03/53/800820353.db2.gz XYJJRGQBGXEVCJ-IAGOWNOFSA-N 1 3 321.440 2.417 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000935987206 800820360 /nfs/dbraw/zinc/82/03/60/800820360.db2.gz XYJJRGQBGXEVCJ-IAGOWNOFSA-N 1 3 321.440 2.417 20 0 DEADHO CC(C)CCC[NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001208340409 800959733 /nfs/dbraw/zinc/95/97/33/800959733.db2.gz LKMNWZNDTZKBKX-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(=O)N1CCC[N@H+](C[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001208947838 801100297 /nfs/dbraw/zinc/10/02/97/801100297.db2.gz MRRVJHNDUQLYNV-IBGZPJMESA-N 1 3 315.461 2.063 20 0 DEADHO CC(=O)N1CCC[N@@H+](C[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001208947838 801100300 /nfs/dbraw/zinc/10/03/00/801100300.db2.gz MRRVJHNDUQLYNV-IBGZPJMESA-N 1 3 315.461 2.063 20 0 DEADHO CCOC(C)(C)CN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001209070974 801125346 /nfs/dbraw/zinc/12/53/46/801125346.db2.gz BYCYJVPEDBPOBW-MJGOQNOKSA-N 1 3 324.509 2.482 20 0 DEADHO CCOC(C)(C)CN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001209070974 801125351 /nfs/dbraw/zinc/12/53/51/801125351.db2.gz BYCYJVPEDBPOBW-MJGOQNOKSA-N 1 3 324.509 2.482 20 0 DEADHO COCCCCN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001209216531 801153435 /nfs/dbraw/zinc/15/34/35/801153435.db2.gz YNPQZHKQFMZCLF-ROUUACIJSA-N 1 3 310.482 2.093 20 0 DEADHO COCCCCN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001209216531 801153439 /nfs/dbraw/zinc/15/34/39/801153439.db2.gz YNPQZHKQFMZCLF-ROUUACIJSA-N 1 3 310.482 2.093 20 0 DEADHO CC(C)CCC[NH2+][C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001209640681 801243811 /nfs/dbraw/zinc/24/38/11/801243811.db2.gz CRRVWYDPZNDZMS-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)NC1CC[NH+](CCCCCF)CC1)N(C)C ZINC001229254520 801248108 /nfs/dbraw/zinc/24/81/08/801248108.db2.gz VHVMAJJYWHAJKK-HNNXBMFYSA-N 1 3 301.450 2.047 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H](C)F ZINC001229933096 801338202 /nfs/dbraw/zinc/33/82/02/801338202.db2.gz GAUTXZUHVSYSGS-MRVWCRGKSA-N 1 3 310.417 2.026 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001210221334 801353567 /nfs/dbraw/zinc/35/35/67/801353567.db2.gz ZXNWIIIOXKUMPH-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN(C)CC(=O)NC1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC001230101624 801360595 /nfs/dbraw/zinc/36/05/95/801360595.db2.gz VPLDTGKXGFMLPM-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO CCCN(C)CC(=O)NC1CC[NH+](CCCC2CCC2)CC1 ZINC001230112911 801362936 /nfs/dbraw/zinc/36/29/36/801362936.db2.gz GVXQVHMKOUDYEI-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CCCN(C)CC(=O)NC1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001230112984 801363020 /nfs/dbraw/zinc/36/30/20/801363020.db2.gz KEYIMDHFEDAUBI-ZACQAIPSSA-N 1 3 321.509 2.345 20 0 DEADHO CC1CCN(CC(=O)N2CCC[C@@H]([NH2+]C/C=C/Cl)C2)CC1 ZINC001210282414 801368105 /nfs/dbraw/zinc/36/81/05/801368105.db2.gz GDMOTPUYLFQFRX-NKPGBKMFSA-N 1 3 313.873 2.051 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](NCC=C(Cl)Cl)C1 ZINC001210493249 801412139 /nfs/dbraw/zinc/41/21/39/801412139.db2.gz KFSQBMDOSLOSBN-LBPRGKRZSA-N 1 3 322.280 2.228 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](NCC=C(Cl)Cl)C1 ZINC001210493249 801412143 /nfs/dbraw/zinc/41/21/43/801412143.db2.gz KFSQBMDOSLOSBN-LBPRGKRZSA-N 1 3 322.280 2.228 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001230611347 801436999 /nfs/dbraw/zinc/43/69/99/801436999.db2.gz QRGQZPCJWBWIAA-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001230611347 801437005 /nfs/dbraw/zinc/43/70/05/801437005.db2.gz QRGQZPCJWBWIAA-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2C)C1 ZINC001210811958 801467646 /nfs/dbraw/zinc/46/76/46/801467646.db2.gz SDLMZQMCYKONDU-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC=C(C)C)C1 ZINC001211258187 801537527 /nfs/dbraw/zinc/53/75/27/801537527.db2.gz ZUOGGINZPJDKOV-IRXDYDNUSA-N 1 3 307.482 2.408 20 0 DEADHO CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001214855943 801767429 /nfs/dbraw/zinc/76/74/29/801767429.db2.gz RZWCQRMDCVAZTP-RVPFLWAUSA-N 1 3 307.482 2.119 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CCC(C)(C)C ZINC001214861420 801767935 /nfs/dbraw/zinc/76/79/35/801767935.db2.gz TZSLOJMABIFHTH-GDBMZVCRSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1cc(CN2CCN(CC3CC[NH+](C)CC3)CC2)cnc1C ZINC001233163071 802038725 /nfs/dbraw/zinc/03/87/25/802038725.db2.gz QNNYYCPQZCLUCS-UHFFFAOYSA-N 1 3 316.493 2.158 20 0 DEADHO NC[C@H]([NH3+])Cc1nnc(-c2ccc(Oc3ccccc3)cc2)o1 ZINC001217725157 802106770 /nfs/dbraw/zinc/10/67/70/802106770.db2.gz ZNACQRSKQSZQLK-CYBMUJFWSA-N 1 3 310.357 2.357 20 0 DEADHO Cc1cccc2[nH]c(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)nc21 ZINC001218503025 802193651 /nfs/dbraw/zinc/19/36/51/802193651.db2.gz WCQBHIMEVWMHLS-ZDUSSCGKSA-N 1 3 317.437 2.305 20 0 DEADHO Cc1cc(NC(=O)[C@@H](N)CCC[NH3+])cc(C)c1Br ZINC001218814014 802244189 /nfs/dbraw/zinc/24/41/89/802244189.db2.gz HDBBUYHCYSJMKV-NSHDSACASA-N 1 3 314.227 2.071 20 0 DEADHO CCCc1nc2ccc(NC(=O)[C@@H](N)CCCC[NH3+])cc2o1 ZINC001218867487 802251934 /nfs/dbraw/zinc/25/19/34/802251934.db2.gz MQNLRCLKCIKSSV-LBPRGKRZSA-N 1 3 304.394 2.175 20 0 DEADHO C[C@H](C(=O)Nc1ccc2c(c1)CNCCO2)[C@H]1CC[NH2+][C@H](C)C1 ZINC001219028149 802276455 /nfs/dbraw/zinc/27/64/55/802276455.db2.gz QSUAXZLADZHNSR-RDBSUJKOSA-N 1 3 317.433 2.131 20 0 DEADHO [NH3+]C12CCC(C(=O)Nc3ccc4c(c3)CNCCO4)(CC1)CC2 ZINC001219029946 802276849 /nfs/dbraw/zinc/27/68/49/802276849.db2.gz VPWCCGSUNZHQMV-UHFFFAOYSA-N 1 3 315.417 2.159 20 0 DEADHO [NH3+]C1(CNC(=O)[C@@H]2CCC[C@H](c3ccccc3)N2)CCCC1 ZINC001220496377 802468486 /nfs/dbraw/zinc/46/84/86/802468486.db2.gz BNBSMUOISCVJES-CVEARBPZSA-N 1 3 301.434 2.258 20 0 DEADHO N[C@@H](CC1CCC1)C(=O)N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001220538249 802472809 /nfs/dbraw/zinc/47/28/09/802472809.db2.gz HRBSLZKUSGUIIG-WCWCZOKXSA-N 1 3 319.493 2.260 20 0 DEADHO NC1(C(=O)N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)CC1 ZINC001220541848 802472815 /nfs/dbraw/zinc/47/28/15/802472815.db2.gz AUCSZOBFIXZOPJ-SJJHQCBESA-N 1 3 313.445 2.132 20 0 DEADHO Cc1cc(C)cc([C@@H](C)NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)c1 ZINC001220557660 802474003 /nfs/dbraw/zinc/47/40/03/802474003.db2.gz RPCJJMZXRWCGOA-WBVHZDCISA-N 1 3 315.461 2.355 20 0 DEADHO Cc1cc(C)cc([C@@H](C)NC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)c1 ZINC001220557660 802474005 /nfs/dbraw/zinc/47/40/05/802474005.db2.gz RPCJJMZXRWCGOA-WBVHZDCISA-N 1 3 315.461 2.355 20 0 DEADHO N[C@H](CC(=O)NCCCC[NH3+])c1ccc(Cl)cc1Cl ZINC001221346948 802558572 /nfs/dbraw/zinc/55/85/72/802558572.db2.gz BEUFIPWWUMNSIL-GFCCVEGCSA-N 1 3 304.221 2.238 20 0 DEADHO CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001221631432 802598674 /nfs/dbraw/zinc/59/86/74/802598674.db2.gz PPGNNKAKNBIJQZ-CBETYXLMSA-N 1 3 321.509 2.462 20 0 DEADHO CC/C=C\CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001221631432 802598675 /nfs/dbraw/zinc/59/86/75/802598675.db2.gz PPGNNKAKNBIJQZ-CBETYXLMSA-N 1 3 321.509 2.462 20 0 DEADHO CCOC(=O)[C@@]12C[N@H+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C[C@@H]1CNCCC2 ZINC001222124997 802647432 /nfs/dbraw/zinc/64/74/32/802647432.db2.gz CNZKDRWLMCZQBW-OREBXVKISA-N 1 3 318.461 2.063 20 0 DEADHO CCOC(=O)[C@@]12C[N@@H+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C[C@@H]1CNCCC2 ZINC001222124997 802647436 /nfs/dbraw/zinc/64/74/36/802647436.db2.gz CNZKDRWLMCZQBW-OREBXVKISA-N 1 3 318.461 2.063 20 0 DEADHO CC/C=C\CCCCCC[N@@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001222521266 802700636 /nfs/dbraw/zinc/70/06/36/802700636.db2.gz OPEUIHYMWRKJAG-LLHWWHOWSA-N 1 3 319.493 2.315 20 0 DEADHO CC/C=C\CCCCCC[N@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001222521266 802700645 /nfs/dbraw/zinc/70/06/45/802700645.db2.gz OPEUIHYMWRKJAG-LLHWWHOWSA-N 1 3 319.493 2.315 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CC3CCC3)[C@H]2C1 ZINC001223023244 802759443 /nfs/dbraw/zinc/75/94/43/802759443.db2.gz GLICGKKTFUEISY-SJORKVTESA-N 1 3 321.509 2.440 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](CC3CCC3)[C@H]2C1 ZINC001223023244 802759448 /nfs/dbraw/zinc/75/94/48/802759448.db2.gz GLICGKKTFUEISY-SJORKVTESA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H](F)CC[NH+]1CCC(CNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001224535167 802879353 /nfs/dbraw/zinc/87/93/53/802879353.db2.gz DIGHHSLCLYHKIL-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](F)C[NH+]1CCC(CNC(=O)CN2CCC[C@H]2C)CC1 ZINC001224534975 802879651 /nfs/dbraw/zinc/87/96/51/802879651.db2.gz BMNJBLZXCKALOO-ZBFHGGJFSA-N 1 3 313.461 2.047 20 0 DEADHO CC(=O)O[C@@H]1C[C@@H]2C[C@H](OCCC[NH+]3CCCCC3)C[C@H]1N2C ZINC001224858662 802911472 /nfs/dbraw/zinc/91/14/72/802911472.db2.gz FBKOUUDOBOYONV-WNRNVDISSA-N 1 3 324.465 2.046 20 0 DEADHO CN(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1)C1CC1 ZINC001226800614 803162369 /nfs/dbraw/zinc/16/23/69/803162369.db2.gz MZUYZMISBXAMFZ-BRWVUGGUSA-N 1 3 307.482 2.144 20 0 DEADHO CC[C@@H](F)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC001226832097 803166054 /nfs/dbraw/zinc/16/60/54/803166054.db2.gz ZGWFRBPXFKDGJY-FVQBIDKESA-N 1 3 313.461 2.236 20 0 DEADHO CC[C@@H](F)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N(C)CC ZINC001227150425 803208667 /nfs/dbraw/zinc/20/86/67/803208667.db2.gz RIGIDMPCJSDGCE-RBSFLKMASA-N 1 3 315.477 2.482 20 0 DEADHO CN(C)[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC001227816555 803284153 /nfs/dbraw/zinc/28/41/53/803284153.db2.gz FIUKRKSPNGQALX-GOSISDBHSA-N 1 3 315.461 2.107 20 0 DEADHO CCN(C)C(C)(C)C(=O)NC1CC[NH+](CC[C@@H](C)F)CC1 ZINC001228066961 803314449 /nfs/dbraw/zinc/31/44/49/803314449.db2.gz ZLJPRQXDGPTLIQ-CYBMUJFWSA-N 1 3 301.450 2.045 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001369844826 1149268540 /nfs/dbraw/zinc/26/85/40/1149268540.db2.gz ILKACZHFZODYBG-SFHVURJKSA-N 1 3 317.477 2.499 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001369844826 1149268555 /nfs/dbraw/zinc/26/85/55/1149268555.db2.gz ILKACZHFZODYBG-SFHVURJKSA-N 1 3 317.477 2.499 20 0 DEADHO CC1CC(C[NH2+][C@H](CNC(=O)C(C)(C)N2CCCC2)C2CC2)C1 ZINC001370214993 1149426108 /nfs/dbraw/zinc/42/61/08/1149426108.db2.gz FOIUFGNIGJIKPP-VMBOVVBDSA-N 1 3 321.509 2.391 20 0 DEADHO C[C@H](NC(=O)CN(C)CC(C)(C)C)[C@H](C)[NH2+]Cc1cccnc1 ZINC001368861829 1148726163 /nfs/dbraw/zinc/72/61/63/1148726163.db2.gz BDRNNDTVEKZSQA-GJZGRUSLSA-N 1 3 320.481 2.042 20 0 DEADHO CC(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]21 ZINC001403785170 1163181910 /nfs/dbraw/zinc/18/19/10/1163181910.db2.gz NTPNCLDUEMNLFM-YESZJQIVSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)[NH2+]CCN(Cc1ccccc1)C(=O)C1(N(C)C)CCC1 ZINC001368350253 1148421797 /nfs/dbraw/zinc/42/17/97/1148421797.db2.gz LCFYRDBEEYQUJT-UHFFFAOYSA-N 1 3 317.477 2.498 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001404101937 1163446968 /nfs/dbraw/zinc/44/69/68/1163446968.db2.gz XYDHTHSUAYJSTJ-HZPDHXFCSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001404101937 1163446980 /nfs/dbraw/zinc/44/69/80/1163446980.db2.gz XYDHTHSUAYJSTJ-HZPDHXFCSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)(C)C(=O)N1CCC[C@H](C[N@@H+]2C[C@H]3CCC[C@]3(N)C2)C1 ZINC001575098412 1069366903 /nfs/dbraw/zinc/36/69/03/1069366903.db2.gz CYPCFLVUKISMOG-RKVPGOIHSA-N 1 3 307.482 2.084 20 0 DEADHO CC(C)(C)C(=O)N1CCC[C@H](C[N@H+]2C[C@H]3CCC[C@]3(N)C2)C1 ZINC001575098412 1069366905 /nfs/dbraw/zinc/36/69/05/1069366905.db2.gz CYPCFLVUKISMOG-RKVPGOIHSA-N 1 3 307.482 2.084 20 0 DEADHO CC(C)(C)CC[C@H](N)C[N@@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC001575130212 1069374438 /nfs/dbraw/zinc/37/44/38/1069374438.db2.gz GYJCOEUTOFDMLM-QFBILLFUSA-N 1 3 317.477 2.269 20 0 DEADHO CC(C)(C)CC[C@H](N)C[N@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC001575130212 1069374442 /nfs/dbraw/zinc/37/44/42/1069374442.db2.gz GYJCOEUTOFDMLM-QFBILLFUSA-N 1 3 317.477 2.269 20 0 DEADHO CC(C)(C)OC(=O)N1CCC(CC[NH2+]CC2(CN)CC2)CC1 ZINC001575171320 1069384712 /nfs/dbraw/zinc/38/47/12/1069384712.db2.gz BZJHVUXHEKDACJ-UHFFFAOYSA-N 1 3 311.470 2.352 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CCC2)CC1(C)C)N(C)C ZINC001369116386 1148851848 /nfs/dbraw/zinc/85/18/48/1148851848.db2.gz GYTWMDKYEPQTAR-CVEARBPZSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CCC2)CC1(C)C)N(C)C ZINC001369116386 1148851850 /nfs/dbraw/zinc/85/18/50/1148851850.db2.gz GYTWMDKYEPQTAR-CVEARBPZSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001369144553 1148855871 /nfs/dbraw/zinc/85/58/71/1148855871.db2.gz SMFDTEMTZJXJGE-ZJPYXAASSA-N 1 3 323.525 2.303 20 0 DEADHO CC(C)CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001369144553 1148855872 /nfs/dbraw/zinc/85/58/72/1148855872.db2.gz SMFDTEMTZJXJGE-ZJPYXAASSA-N 1 3 323.525 2.303 20 0 DEADHO CCN(CC)CC[C@H](C)[NH2+]C1CCN(c2cnccn2)CC1 ZINC001462675514 1058882093 /nfs/dbraw/zinc/88/20/93/1058882093.db2.gz UQBFDMPOLDUJFE-HNNXBMFYSA-N 1 3 305.470 2.155 20 0 DEADHO CC/C=C/CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001502771762 1060287309 /nfs/dbraw/zinc/28/73/09/1060287309.db2.gz AQSKXIZXABGHHQ-JFDDCEBESA-N 1 3 307.482 2.408 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCCC[C@H]2CNCCF)C1 ZINC001505408281 1060542620 /nfs/dbraw/zinc/54/26/20/1060542620.db2.gz PATRUUGHZFHOAN-HOTGVXAUSA-N 1 3 313.461 2.049 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCCC[C@H]2CNCCF)C1 ZINC001505408281 1060542637 /nfs/dbraw/zinc/54/26/37/1060542637.db2.gz PATRUUGHZFHOAN-HOTGVXAUSA-N 1 3 313.461 2.049 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(F)cc1C ZINC001505735484 1060913373 /nfs/dbraw/zinc/91/33/73/1060913373.db2.gz MMAXCEPBKRAVLZ-LSDHHAIUSA-N 1 3 323.456 2.459 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(F)cc1C ZINC001505735483 1060915060 /nfs/dbraw/zinc/91/50/60/1060915060.db2.gz MMAXCEPBKRAVLZ-HUUCEWRRSA-N 1 3 323.456 2.459 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C1CCC([NH2+]CCCF)CC1)N(C)C ZINC001505783198 1060960908 /nfs/dbraw/zinc/96/09/08/1060960908.db2.gz WSSIQMXNJXGSGE-GPANFISMSA-N 1 3 315.477 2.291 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)CC1CCCC1 ZINC001505930931 1061147341 /nfs/dbraw/zinc/14/73/41/1061147341.db2.gz RBHCSUHOPDFZCE-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC1CCCC1 ZINC001505930931 1061147351 /nfs/dbraw/zinc/14/73/51/1061147351.db2.gz RBHCSUHOPDFZCE-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO CC1CC(C[N@@H+]2CC[C@@H]2CN(C)C(=O)C(C)(C)N2CCCC2)C1 ZINC001479236527 1061310363 /nfs/dbraw/zinc/31/03/63/1061310363.db2.gz APFTUVVRBNCUNT-OFLPRAFFSA-N 1 3 321.509 2.440 20 0 DEADHO CC1CC(C[N@H+]2CC[C@@H]2CN(C)C(=O)C(C)(C)N2CCCC2)C1 ZINC001479236527 1061310378 /nfs/dbraw/zinc/31/03/78/1061310378.db2.gz APFTUVVRBNCUNT-OFLPRAFFSA-N 1 3 321.509 2.440 20 0 DEADHO CC1CC(CN2CC[C@@H]2CN(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001479236527 1061310391 /nfs/dbraw/zinc/31/03/91/1061310391.db2.gz APFTUVVRBNCUNT-OFLPRAFFSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CC2(C[C@@H]1C)CC[NH+](CC1CC1)CC2 ZINC001479504018 1061480870 /nfs/dbraw/zinc/48/08/70/1061480870.db2.gz QMFZUQKKQTZKGN-INIZCTEOSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@H](F)C[NH+]1CCC2(C[C@@H]2NC(=O)CN(C)C(C)C)CC1 ZINC001479988429 1062148708 /nfs/dbraw/zinc/14/87/08/1062148708.db2.gz PPCCOXPPAQJQTI-GJZGRUSLSA-N 1 3 313.461 2.045 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H](NC/C=C\Cl)C2)C1 ZINC001480115339 1062343249 /nfs/dbraw/zinc/34/32/49/1062343249.db2.gz SKRRZYDWZOYLIW-MJQCEFOHSA-N 1 3 313.873 2.051 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H](NC/C=C\Cl)C2)C1 ZINC001480115339 1062343275 /nfs/dbraw/zinc/34/32/75/1062343275.db2.gz SKRRZYDWZOYLIW-MJQCEFOHSA-N 1 3 313.873 2.051 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC001480168588 1062418928 /nfs/dbraw/zinc/41/89/28/1062418928.db2.gz PUUHAANONMQYAF-RBSFLKMASA-N 1 3 321.440 2.465 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]2C[N@H+](CC3CC3)CC[C@@H]21 ZINC001480187412 1062438186 /nfs/dbraw/zinc/43/81/86/1062438186.db2.gz CEUBJQSOPDOKFK-IRXDYDNUSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]2C[N@@H+](CC3CC3)CC[C@@H]21 ZINC001480187412 1062438199 /nfs/dbraw/zinc/43/81/99/1062438199.db2.gz CEUBJQSOPDOKFK-IRXDYDNUSA-N 1 3 307.482 2.050 20 0 DEADHO CN(C(=O)C(C)(C)N1CCCC1)[C@@H](C[NH2+]CCCF)C1CC1 ZINC001507018747 1062681754 /nfs/dbraw/zinc/68/17/54/1062681754.db2.gz LYDBCIFYEXLSKU-HNNXBMFYSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]C/C=C\Cl)CN1C(=O)CN(C)CC(C)(C)C ZINC001507328458 1063101910 /nfs/dbraw/zinc/10/19/10/1063101910.db2.gz VPEOAWFBCNPUNL-YOIVVXPQSA-N 1 3 315.889 2.296 20 0 DEADHO CC(C)[C@H](C(=O)NCC1=CC[N@H+](CC[C@H](C)F)CC1)N(C)C ZINC001508219204 1063615367 /nfs/dbraw/zinc/61/53/67/1063615367.db2.gz DEEPCQSVFVYZJK-GOEBONIOSA-N 1 3 313.461 2.069 20 0 DEADHO CC(C)[C@H](C(=O)NCC1=CC[N@@H+](CC[C@H](C)F)CC1)N(C)C ZINC001508219204 1063615376 /nfs/dbraw/zinc/61/53/76/1063615376.db2.gz DEEPCQSVFVYZJK-GOEBONIOSA-N 1 3 313.461 2.069 20 0 DEADHO CN(CCNC/C=C\Cl)C(=O)CCC[NH+]1CCCCC1 ZINC001567606830 1064274713 /nfs/dbraw/zinc/27/47/13/1064274713.db2.gz CVCBQFRJTDAOOW-VURMDHGXSA-N 1 3 301.862 2.053 20 0 DEADHO CCCCC[NH+]1CC(CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001494553265 1064311201 /nfs/dbraw/zinc/31/12/01/1064311201.db2.gz ZYSWJJUUNUNRLP-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H](CC[NH2+]CC2CCC2)C1 ZINC001568075565 1064635201 /nfs/dbraw/zinc/63/52/01/1064635201.db2.gz DFQTUQAXFFXIHC-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)N1CCC(CC)([NH2+]CCC2CC2)CC1)N(C)C ZINC001368592546 1148513903 /nfs/dbraw/zinc/51/39/03/1148513903.db2.gz DGTMGKJLNZNHKG-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccc(F)cc1 ZINC001495059715 1064672330 /nfs/dbraw/zinc/67/23/30/1064672330.db2.gz VOZWBGZMWJHKPI-WMLDXEAASA-N 1 3 321.440 2.152 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC1=CCCCC1)N(C)C ZINC001568205792 1064699949 /nfs/dbraw/zinc/69/99/49/1064699949.db2.gz QYFWOVUBJFUXHW-RDJZCZTQSA-N 1 3 309.498 2.415 20 0 DEADHO CC(C)C[NH2+]CC[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001568677883 1065044406 /nfs/dbraw/zinc/04/44/06/1065044406.db2.gz HNDCGRHOSBONKS-RHSMWYFYSA-N 1 3 315.477 2.339 20 0 DEADHO CCN(CC[NH2+]CC1CCC2(CC2)CC1)C(=O)[C@@H]1CCCN1C ZINC001568730519 1065082400 /nfs/dbraw/zinc/08/24/00/1065082400.db2.gz FTDLSQABMIFUCD-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO Cc1cc(CNC/C=C\CNC(=O)[C@@H](C(C)C)[NH+](C)C)cs1 ZINC001568913503 1065186641 /nfs/dbraw/zinc/18/66/41/1065186641.db2.gz GFUKYMMOGAAOIT-MWWKQMNYSA-N 1 3 323.506 2.405 20 0 DEADHO Cc1cc(CNC/C=C/CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cs1 ZINC001568952249 1065210218 /nfs/dbraw/zinc/21/02/18/1065210218.db2.gz VWQSZQXZKSUNER-BWPKMQGJSA-N 1 3 321.490 2.160 20 0 DEADHO Cc1cc(CNC/C=C/CNC(=O)C[C@@H]2CC[N@H+](C)C2)cs1 ZINC001568952249 1065210225 /nfs/dbraw/zinc/21/02/25/1065210225.db2.gz VWQSZQXZKSUNER-BWPKMQGJSA-N 1 3 321.490 2.160 20 0 DEADHO C[C@@H](C[NH2+]Cc1cccc(Cl)c1)N(C)C(=O)CN1CCCC1 ZINC001496230346 1065352444 /nfs/dbraw/zinc/35/24/44/1065352444.db2.gz UVMPUUBUNFLYFV-AWEZNQCLSA-N 1 3 323.868 2.372 20 0 DEADHO C[C@@H](F)CC[NH2+]C[C@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001569559498 1065591944 /nfs/dbraw/zinc/59/19/44/1065591944.db2.gz NEWTWPOSOSJSGC-HZPDHXFCSA-N 1 3 313.461 2.047 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001569968533 1065845217 /nfs/dbraw/zinc/84/52/17/1065845217.db2.gz KRNCIGLHIQKXBN-DOTOQJQBSA-N 1 3 321.509 2.345 20 0 DEADHO CCN(CC[NH2+]Cc1csc(C)c1)C(=O)[C@@H]1CCCN1C ZINC001497362941 1066050462 /nfs/dbraw/zinc/05/04/62/1066050462.db2.gz WJXITUXJDZFTAN-HNNXBMFYSA-N 1 3 309.479 2.089 20 0 DEADHO C[C@H]1CCN(CC(=O)NC/C=C/C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001497679714 1066232447 /nfs/dbraw/zinc/23/24/47/1066232447.db2.gz IWDZDGDOEHDJFT-KZSQQDEKSA-N 1 3 319.493 2.171 20 0 DEADHO Cc1ccc(C[NH2+]C/C=C\CNC(=O)CN(C)C(C)C)cc1C ZINC001497767186 1066296343 /nfs/dbraw/zinc/29/63/43/1066296343.db2.gz YZXPBXMFYSRPJX-SREVYHEPSA-N 1 3 317.477 2.406 20 0 DEADHO CC(C)N1CCCN(C(=O)[C@@H]2[NH2+]CC[C@@H]3CCCC[C@H]23)CC1 ZINC001575701278 1066406446 /nfs/dbraw/zinc/40/64/46/1066406446.db2.gz XZJXQSAJTGOTIC-YESZJQIVSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@H]1CN(CCC2C[NH2+]C2)CCN1C(=O)OC(C)(C)C ZINC001575847908 1066442449 /nfs/dbraw/zinc/44/24/49/1066442449.db2.gz QQGADPLDXVGHMT-OAHLLOKOSA-N 1 3 311.470 2.173 20 0 DEADHO CC(C)[C@H]1CN(C(=O)NC2CCC(C)([NH+]3CCC3)CC2)CCN1 ZINC001575843044 1066442667 /nfs/dbraw/zinc/44/26/67/1066442667.db2.gz MCQLDDPZIQWULD-UPTPFMHGSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](NCCC(=O)NCc1ccccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC001576243811 1066534542 /nfs/dbraw/zinc/53/45/42/1066534542.db2.gz GDKCOWIUQKSRIO-ZIAGYGMSSA-N 1 3 323.868 2.324 20 0 DEADHO CC(C)(C)OC(=O)N1C[C@H]2CN(C[C@@]3(C)CCC[NH2+]C3)C[C@H]2C1 ZINC001576502908 1066623381 /nfs/dbraw/zinc/62/33/81/1066623381.db2.gz JBCRQNLDYWJFQH-DAYGRLMNSA-N 1 3 323.481 2.175 20 0 DEADHO C[C@@H]1CCN(C[C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@H]1C[NH3+] ZINC001576729653 1066672702 /nfs/dbraw/zinc/67/27/02/1066672702.db2.gz UOXMPICCDFBQCO-RBSFLKMASA-N 1 3 311.470 2.160 20 0 DEADHO C[C@@H]1CC[N@H+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@H]1CN ZINC001576729653 1066672705 /nfs/dbraw/zinc/67/27/05/1066672705.db2.gz UOXMPICCDFBQCO-RBSFLKMASA-N 1 3 311.470 2.160 20 0 DEADHO C[C@@H]1CC[N@@H+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@H]1CN ZINC001576729653 1066672711 /nfs/dbraw/zinc/67/27/11/1066672711.db2.gz UOXMPICCDFBQCO-RBSFLKMASA-N 1 3 311.470 2.160 20 0 DEADHO CCC(CC)Nc1ccncc1NC(=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC001577078160 1066758296 /nfs/dbraw/zinc/75/82/96/1066758296.db2.gz RQTPRLMPSLZISV-CHWSQXEVSA-N 1 3 304.438 2.288 20 0 DEADHO CCc1ccc(C[NH2+]CCCN(C)C(=O)Cc2c[nH]cn2)cc1 ZINC001498619645 1066806479 /nfs/dbraw/zinc/80/64/79/1066806479.db2.gz YGYWTWDZSAPJOQ-UHFFFAOYSA-N 1 3 314.433 2.153 20 0 DEADHO C[C@@H]([NH2+]CCCN(C)C(=O)CN1CCCC1)c1cccc(F)c1 ZINC001498653578 1066823257 /nfs/dbraw/zinc/82/32/57/1066823257.db2.gz QAPOAMYSHJMXII-OAHLLOKOSA-N 1 3 321.440 2.421 20 0 DEADHO CCC[C@H](NCc1cc(C2C[NH2+]C2)no1)[C@H](O)c1ccccc1 ZINC001577366311 1066826264 /nfs/dbraw/zinc/82/62/64/1066826264.db2.gz YIVMTRBUZHVYDE-FUHWJXTLSA-N 1 3 315.417 2.353 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN[C@H](C)[C@@H]1C ZINC001577458057 1066848102 /nfs/dbraw/zinc/84/81/02/1066848102.db2.gz QXTGEQISJAKQCQ-OWCLPIDISA-N 1 3 310.486 2.033 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN[C@H](C)[C@@H]1C ZINC001577458057 1066848108 /nfs/dbraw/zinc/84/81/08/1066848108.db2.gz QXTGEQISJAKQCQ-OWCLPIDISA-N 1 3 310.486 2.033 20 0 DEADHO CCCN(C(=O)NC[C@@H]1CCN1C1CCCC1)C1CC[NH2+]CC1 ZINC001577488849 1066857047 /nfs/dbraw/zinc/85/70/47/1066857047.db2.gz JVUWIRXTJGWDPO-KRWDZBQOSA-N 1 3 322.497 2.177 20 0 DEADHO CCN(C(=O)[C@@H]1CC[NH2+][C@@H]1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001577628554 1066890153 /nfs/dbraw/zinc/89/01/53/1066890153.db2.gz UDTOAHIVWXZVIV-BPQIPLTHSA-N 1 3 315.461 2.107 20 0 DEADHO CC[NH+](CC)CC[C@@H](C)NC(=O)C[C@H]1NCc2ccccc21 ZINC001577687479 1066904760 /nfs/dbraw/zinc/90/47/60/1066904760.db2.gz ICFCUESZJRAJMO-RHSMWYFYSA-N 1 3 303.450 2.458 20 0 DEADHO CCOC(=O)c1ccc(CN2CCCC3(CC[NH2+]CC3)C2)[nH]1 ZINC001578058963 1066971534 /nfs/dbraw/zinc/97/15/34/1066971534.db2.gz HEJOUMOJKIPFFR-UHFFFAOYSA-N 1 3 305.422 2.157 20 0 DEADHO CN(C(=O)c1cccc(CN2CCCCC2)c1)C1CC[NH2+]CC1 ZINC001578391784 1067079284 /nfs/dbraw/zinc/07/92/84/1067079284.db2.gz NVHWGORIXLQIRE-UHFFFAOYSA-N 1 3 315.461 2.497 20 0 DEADHO COC(=O)[C@H](C)Oc1ccc(C[NH2+][C@@H]2[C@@H](C)CCN[C@H]2C)cc1 ZINC001578769462 1067167230 /nfs/dbraw/zinc/16/72/30/1067167230.db2.gz XXVDTLIXRUQEDS-AYMQEEERSA-N 1 3 320.433 2.103 20 0 DEADHO FC(F)(F)Oc1ccccc1CNC[C@H]1CCC2(C[NH2+]C2)O1 ZINC001580018465 1067472499 /nfs/dbraw/zinc/47/24/99/1067472499.db2.gz HHJXKJOXCMKFQD-GFCCVEGCSA-N 1 3 316.323 2.196 20 0 DEADHO [NH3+]C1(CCNC[C@]2(c3ccccc3)CCCO2)CCOCC1 ZINC001580145190 1067508475 /nfs/dbraw/zinc/50/84/75/1067508475.db2.gz SELJYSSKRBPJHN-SFHVURJKSA-N 1 3 304.434 2.180 20 0 DEADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3cnc(C4CC4)nc3)C2)C1 ZINC001580200441 1067522482 /nfs/dbraw/zinc/52/24/82/1067522482.db2.gz QZHOJUGISVWEBR-BRWVUGGUSA-N 1 3 316.449 2.072 20 0 DEADHO CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001267067225 1078541869 /nfs/dbraw/zinc/54/18/69/1078541869.db2.gz OLSDDTAPPYHISB-UAEOLWBESA-N 1 3 309.498 2.367 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](C)CCCCCF)CC1 ZINC001571332771 1068228675 /nfs/dbraw/zinc/22/86/75/1068228675.db2.gz SAUUTQRSZOSZCT-MRXNPFEDSA-N 1 3 313.461 2.143 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)CCCCCF)CC1 ZINC001571332771 1068228678 /nfs/dbraw/zinc/22/86/78/1068228678.db2.gz SAUUTQRSZOSZCT-MRXNPFEDSA-N 1 3 313.461 2.143 20 0 DEADHO C[C@@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001496155329 1078760801 /nfs/dbraw/zinc/76/08/01/1078760801.db2.gz TWKJYVAVTKTOJO-HOTGVXAUSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)(C)[C@@H](N)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001573458537 1069004633 /nfs/dbraw/zinc/00/46/33/1069004633.db2.gz XMBASBLGAGXCQO-IKGGRYGDSA-N 1 3 315.461 2.093 20 0 DEADHO CC(C)(C)[C@@H](N)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001573458537 1069004638 /nfs/dbraw/zinc/00/46/38/1069004638.db2.gz XMBASBLGAGXCQO-IKGGRYGDSA-N 1 3 315.461 2.093 20 0 DEADHO CC[C@@H]1CN(C(=O)NCC[N@@H+]2CCCC[C@H]2CC)[C@@H](CC)CN1 ZINC001573717139 1069077628 /nfs/dbraw/zinc/07/76/28/1069077628.db2.gz FRLBTELDPDZTMB-ZACQAIPSSA-N 1 3 324.513 2.423 20 0 DEADHO CC[C@@H]1CN(C(=O)NCC[N@H+]2CCCC[C@H]2CC)[C@@H](CC)CN1 ZINC001573717139 1069077635 /nfs/dbraw/zinc/07/76/35/1069077635.db2.gz FRLBTELDPDZTMB-ZACQAIPSSA-N 1 3 324.513 2.423 20 0 DEADHO C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@@H](N)C(C)(C)C)CC1 ZINC001573883201 1069125270 /nfs/dbraw/zinc/12/52/70/1069125270.db2.gz QLZFJQYLVZUMAW-OAHLLOKOSA-N 1 3 307.438 2.076 20 0 DEADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(CCN(C)C)C3CCCC3)C[N@@H+]2C1 ZINC001548646952 1072756873 /nfs/dbraw/zinc/75/68/73/1072756873.db2.gz LJLKXNQMNOWQTJ-RYRKJORJSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(CCN(C)C)C3CCCC3)C[N@H+]2C1 ZINC001548646952 1072756881 /nfs/dbraw/zinc/75/68/81/1072756881.db2.gz LJLKXNQMNOWQTJ-RYRKJORJSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+][C@@H](C)c2ccc(F)cc2)CC1)N(C)C ZINC001483747384 1078985897 /nfs/dbraw/zinc/98/58/97/1078985897.db2.gz SDHOXIOFHFTZLW-XJKSGUPXSA-N 1 3 321.440 2.465 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@H]1CN(C)C[C@H]1c1ccccc1 ZINC001549034516 1072989903 /nfs/dbraw/zinc/98/99/03/1072989903.db2.gz AJORDTCQLFCNKH-LQJIQPLVSA-N 1 3 313.489 2.404 20 0 DEADHO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc3c(c2)CNCC3)cc1 ZINC001550099108 1073426107 /nfs/dbraw/zinc/42/61/07/1073426107.db2.gz OIAARKLEIIUFCG-ZWKOTPCHSA-N 1 3 307.397 2.399 20 0 DEADHO CCn1cc([C@@H]2OCC[C@@H]2C[N@@H+]2CC[C@@H]3[C@H](CCN3C)C2)cn1 ZINC001550129732 1073446027 /nfs/dbraw/zinc/44/60/27/1073446027.db2.gz YQBCWKXDRWRETI-JOCBIADPSA-N 1 3 318.465 2.007 20 0 DEADHO CCn1cc([C@@H]2OCC[C@@H]2C[N@H+]2CC[C@@H]3[C@H](CCN3C)C2)cn1 ZINC001550129732 1073446031 /nfs/dbraw/zinc/44/60/31/1073446031.db2.gz YQBCWKXDRWRETI-JOCBIADPSA-N 1 3 318.465 2.007 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[NH2+]CCC23CCC3)c1 ZINC001550204294 1073494254 /nfs/dbraw/zinc/49/42/54/1073494254.db2.gz IAKYNKGPHJFDBU-UHFFFAOYSA-N 1 3 301.434 2.106 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)C[NH2+]CCC1CC1 ZINC001649445750 1079122302 /nfs/dbraw/zinc/12/23/02/1079122302.db2.gz KZJUWVBGDLWMQM-HNNXBMFYSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](N[C@@H](C)c1ccccn1)[C@@H](O)C2 ZINC001550352133 1073610438 /nfs/dbraw/zinc/61/04/38/1073610438.db2.gz NFWCBUKYHYGEAA-ITWBUVANSA-N 1 3 303.450 2.212 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](N[C@@H](C)c1ccccn1)[C@@H](O)C2 ZINC001550352133 1073610443 /nfs/dbraw/zinc/61/04/43/1073610443.db2.gz NFWCBUKYHYGEAA-ITWBUVANSA-N 1 3 303.450 2.212 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3ccc(C)cn3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550424123 1073649329 /nfs/dbraw/zinc/64/93/29/1073649329.db2.gz YGGBOXNHJLJSCK-HCXYKTFWSA-N 1 3 317.477 2.349 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3ccc(C)cn3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550424123 1073649336 /nfs/dbraw/zinc/64/93/36/1073649336.db2.gz YGGBOXNHJLJSCK-HCXYKTFWSA-N 1 3 317.477 2.349 20 0 DEADHO C[N@@H+]1CC[C@H]2CN(CCc3nc(-c4ccccc4)no3)C[C@@H]2C1 ZINC001550541236 1073712211 /nfs/dbraw/zinc/71/22/11/1073712211.db2.gz SQTRCGANROEXHV-HOTGVXAUSA-N 1 3 312.417 2.163 20 0 DEADHO C[N@H+]1CC[C@H]2CN(CCc3nc(-c4ccccc4)no3)C[C@@H]2C1 ZINC001550541236 1073712217 /nfs/dbraw/zinc/71/22/17/1073712217.db2.gz SQTRCGANROEXHV-HOTGVXAUSA-N 1 3 312.417 2.163 20 0 DEADHO CCCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001649696025 1079159127 /nfs/dbraw/zinc/15/91/27/1079159127.db2.gz AICZXKFBKMAYMH-IAGOWNOFSA-N 1 3 307.482 2.338 20 0 DEADHO CC(C)=CC[NH2+]CC(C)(C)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001329336274 1148885583 /nfs/dbraw/zinc/88/55/83/1148885583.db2.gz YJCMGLQHKHVYGN-MRXNPFEDSA-N 1 3 309.498 2.369 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](Nc1cc(N)ncc1Cl)[C@@H](O)C2 ZINC001550646069 1073768690 /nfs/dbraw/zinc/76/86/90/1073768690.db2.gz GTZBBQHOBQODAR-VRKREXBASA-N 1 3 324.856 2.209 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](Nc1cc(N)ncc1Cl)[C@@H](O)C2 ZINC001550646069 1073768692 /nfs/dbraw/zinc/76/86/92/1073768692.db2.gz GTZBBQHOBQODAR-VRKREXBASA-N 1 3 324.856 2.209 20 0 DEADHO CN1CCN(Cc2cccc(C[NH2+]C[C@@H]3CCC=CO3)c2)CC1 ZINC001649775222 1079207879 /nfs/dbraw/zinc/20/78/79/1079207879.db2.gz IVPSYRPAGLVEPD-IBGZPJMESA-N 1 3 315.461 2.216 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+]Cc2ccc(Cl)nn2)CC1 ZINC001551238359 1074127107 /nfs/dbraw/zinc/12/71/07/1074127107.db2.gz OPTCRFBBDDPUSA-UHFFFAOYSA-N 1 3 324.856 2.253 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C[NH2+]CC(C)C)C1CCCC1 ZINC001484012373 1079242347 /nfs/dbraw/zinc/24/23/47/1079242347.db2.gz IMNUUBUNSRPBJN-MRXNPFEDSA-N 1 3 306.454 2.181 20 0 DEADHO CCC[N@H+](CCNC(=O)C1(N(C)C)CCC1)Cc1ccccc1 ZINC001481137850 1079243153 /nfs/dbraw/zinc/24/31/53/1079243153.db2.gz XPTJLXPEVJUMRA-UHFFFAOYSA-N 1 3 317.477 2.499 20 0 DEADHO CCC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)Cc1ccccc1 ZINC001481137850 1079243156 /nfs/dbraw/zinc/24/31/56/1079243156.db2.gz XPTJLXPEVJUMRA-UHFFFAOYSA-N 1 3 317.477 2.499 20 0 DEADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)NCc1ccccc1Cl ZINC001369276901 1148888650 /nfs/dbraw/zinc/88/86/50/1148888650.db2.gz LZJHSJSDIWBDCN-CYBMUJFWSA-N 1 3 311.857 2.228 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCCC[NH2+]C2)CN1Cc1ccccc1 ZINC001552425155 1074573893 /nfs/dbraw/zinc/57/38/93/1074573893.db2.gz ZUYWGNHGVKSLDJ-NJAFHUGGSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)c1ccc([C@H]2CCCC[NH2+]2)n1C ZINC001646795013 1074621911 /nfs/dbraw/zinc/62/19/11/1074621911.db2.gz LMJYTIPNKPQNTI-BYNSBNAKSA-N 1 3 318.465 2.051 20 0 DEADHO CC[NH+](CC)CCOc1cccc(NC(=O)[C@H](C)NC2CC2)c1 ZINC001646833045 1074640327 /nfs/dbraw/zinc/64/03/27/1074640327.db2.gz GZJOQOFPRAOHBH-AWEZNQCLSA-N 1 3 319.449 2.486 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001671230455 1074679598 /nfs/dbraw/zinc/67/95/98/1074679598.db2.gz FMGHNXKZSNZEEK-HZPDHXFCSA-N 1 3 307.482 2.406 20 0 DEADHO C[NH+](C)CCC(=O)N1CC[C@@](C)(CNC/C(Cl)=C\Cl)C1 ZINC001484111023 1079309408 /nfs/dbraw/zinc/30/94/08/1079309408.db2.gz URJXXOZBZYPFLS-BCNIOPEESA-N 1 3 322.280 2.085 20 0 DEADHO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC001647159343 1074821428 /nfs/dbraw/zinc/82/14/28/1074821428.db2.gz RXKJBKOUWAKHQU-BRWVUGGUSA-N 1 3 322.497 2.175 20 0 DEADHO COc1ccc(C[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(C)C)cc1 ZINC001647276045 1074866609 /nfs/dbraw/zinc/86/66/09/1074866609.db2.gz QMUWLYXCXHQSRM-RDJZCZTQSA-N 1 3 308.466 2.259 20 0 DEADHO COc1ccc(C[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(C)C)cc1 ZINC001647276045 1074866612 /nfs/dbraw/zinc/86/66/12/1074866612.db2.gz QMUWLYXCXHQSRM-RDJZCZTQSA-N 1 3 308.466 2.259 20 0 DEADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC[C@H]3CCN3C(C)(C)C)C[N@@H+]2C1 ZINC001649328176 1075038596 /nfs/dbraw/zinc/03/85/96/1075038596.db2.gz POVCXVVEFZGPFL-LVQVYYBASA-N 1 3 307.482 2.096 20 0 DEADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC[C@H]3CCN3C(C)(C)C)C[N@H+]2C1 ZINC001649328176 1075038600 /nfs/dbraw/zinc/03/86/00/1075038600.db2.gz POVCXVVEFZGPFL-LVQVYYBASA-N 1 3 307.482 2.096 20 0 DEADHO CCOCOc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)cc1 ZINC001560623303 1075143783 /nfs/dbraw/zinc/14/37/83/1075143783.db2.gz TYYHUYPTKOWCBN-CGTJXYLNSA-N 1 3 304.434 2.489 20 0 DEADHO CCOCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)cc1 ZINC001560623304 1075143821 /nfs/dbraw/zinc/14/38/21/1075143821.db2.gz TYYHUYPTKOWCBN-KBAYOESNSA-N 1 3 304.434 2.489 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[N@H+](CC1CCCC1)C1CC1 ZINC001566601919 1075293833 /nfs/dbraw/zinc/29/38/33/1075293833.db2.gz CZERGKXHLZNREQ-UHFFFAOYSA-N 1 3 318.465 2.422 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[N@@H+](CC1CCCC1)C1CC1 ZINC001566601919 1075293835 /nfs/dbraw/zinc/29/38/35/1075293835.db2.gz CZERGKXHLZNREQ-UHFFFAOYSA-N 1 3 318.465 2.422 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]([NH2+]CC1=CCCCC1)C1CC1)N(C)C ZINC001566714353 1075324847 /nfs/dbraw/zinc/32/48/47/1075324847.db2.gz KYQKTSQORSTVCW-IAGOWNOFSA-N 1 3 307.482 2.311 20 0 DEADHO CCC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)N(C)C ZINC001566973036 1075405360 /nfs/dbraw/zinc/40/53/60/1075405360.db2.gz LPCSXSPWFDIMSN-QJDVXCDXSA-N 1 3 307.482 2.119 20 0 DEADHO CCC/C=C\CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)N(C)C ZINC001566973036 1075405367 /nfs/dbraw/zinc/40/53/67/1075405367.db2.gz LPCSXSPWFDIMSN-QJDVXCDXSA-N 1 3 307.482 2.119 20 0 DEADHO Cc1ccc([C@H](CNC(=O)C[C@@H]([NH3+])CC(C)C)N(C)C)cc1 ZINC001650338995 1079539494 /nfs/dbraw/zinc/53/94/94/1079539494.db2.gz STYOMPDHRPQDMC-IRXDYDNUSA-N 1 3 305.466 2.477 20 0 DEADHO CC[NH+](CC)CCOc1cccc(NC(=O)C2(N)CCC2)c1 ZINC001650427386 1079615154 /nfs/dbraw/zinc/61/51/54/1079615154.db2.gz PYSUQLRBRWKCCT-UHFFFAOYSA-N 1 3 305.422 2.227 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCC1)N(C)C ZINC001267958128 1079637912 /nfs/dbraw/zinc/63/79/12/1079637912.db2.gz GJFDKHYZCCFRPJ-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[NH2+]CC1CCC2(CC2)CC1 ZINC001481319549 1079715406 /nfs/dbraw/zinc/71/54/06/1079715406.db2.gz IBPAFJINEYFMMX-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CCC[N@H+](CC2CC(C)C2)CC1 ZINC001484725851 1079748892 /nfs/dbraw/zinc/74/88/92/1079748892.db2.gz FNKWCWLAYUXQSV-JCYILVPMSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CCC[N@@H+](CC2CC(C)C2)CC1 ZINC001484725851 1079748899 /nfs/dbraw/zinc/74/88/99/1079748899.db2.gz FNKWCWLAYUXQSV-JCYILVPMSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N1CCC(C)([NH2+]CC[C@H](C)F)CC1 ZINC001484927178 1079859230 /nfs/dbraw/zinc/85/92/30/1079859230.db2.gz NRWFNGDGLRGFEJ-AWEZNQCLSA-N 1 3 301.450 2.047 20 0 DEADHO CN(CC(=O)NCC1([NH2+]CCCF)CCCC1)CC(C)(C)C ZINC001268038534 1079876188 /nfs/dbraw/zinc/87/61/88/1079876188.db2.gz UTNAPVYJTNHYOV-UHFFFAOYSA-N 1 3 315.477 2.343 20 0 DEADHO CC(C)CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001481480117 1079934150 /nfs/dbraw/zinc/93/41/50/1079934150.db2.gz PTQAAULSNQRNMY-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001481480117 1079934157 /nfs/dbraw/zinc/93/41/57/1079934157.db2.gz PTQAAULSNQRNMY-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](CN(C)C/C=C\Cl)C1 ZINC001481505999 1079966705 /nfs/dbraw/zinc/96/67/05/1079966705.db2.gz XXJMSKKQAWJHKP-GTBONMDNSA-N 1 3 315.889 2.251 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](CN(C)C/C=C\Cl)C1 ZINC001481505999 1079966712 /nfs/dbraw/zinc/96/67/12/1079966712.db2.gz XXJMSKKQAWJHKP-GTBONMDNSA-N 1 3 315.889 2.251 20 0 DEADHO C[C@H](C[NH2+]C/C=C/c1ccccc1)N(C)C(=O)[C@@H]1CCCN1C ZINC001268053050 1079975708 /nfs/dbraw/zinc/97/57/08/1079975708.db2.gz CCEHNCHVSJBLKX-DDIQYJBLSA-N 1 3 315.461 2.231 20 0 DEADHO CC[C@@H](F)CN(C)CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001421868603 1080002490 /nfs/dbraw/zinc/00/24/90/1080002490.db2.gz HBLBIXCETFOEEC-OAHLLOKOSA-N 1 3 315.477 2.389 20 0 DEADHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCc1ccccc1F)N(C)C ZINC001268096177 1080068727 /nfs/dbraw/zinc/06/87/27/1080068727.db2.gz ZHVVAOOTFLMUMR-RHSMWYFYSA-N 1 3 323.456 2.145 20 0 DEADHO CCCN(C)CC(=O)N(C)C1CCC([NH2+]C[C@@H](F)CC)CC1 ZINC001485242594 1080092117 /nfs/dbraw/zinc/09/21/17/1080092117.db2.gz KZWVQFJJPZWECN-FHERZECASA-N 1 3 315.477 2.436 20 0 DEADHO Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)CN(C)C2CCC2)cc1 ZINC001485313645 1080133902 /nfs/dbraw/zinc/13/39/02/1080133902.db2.gz PGKLXCVDGCZUGK-INIZCTEOSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)CN(C)C2CCC2)cc1 ZINC001485313645 1080133904 /nfs/dbraw/zinc/13/39/04/1080133904.db2.gz PGKLXCVDGCZUGK-INIZCTEOSA-N 1 3 317.477 2.416 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](C)CC[C@H](C)F ZINC001660408423 1080328125 /nfs/dbraw/zinc/32/81/25/1080328125.db2.gz GVIJLTCENFSCTR-LSDHHAIUSA-N 1 3 301.450 2.047 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)CC[C@H](C)F ZINC001660408423 1080328129 /nfs/dbraw/zinc/32/81/29/1080328129.db2.gz GVIJLTCENFSCTR-LSDHHAIUSA-N 1 3 301.450 2.047 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001485653205 1080344764 /nfs/dbraw/zinc/34/47/64/1080344764.db2.gz JGPXIVAMSNQHTJ-YESZJQIVSA-N 1 3 321.509 2.488 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001485653205 1080344772 /nfs/dbraw/zinc/34/47/72/1080344772.db2.gz JGPXIVAMSNQHTJ-YESZJQIVSA-N 1 3 321.509 2.488 20 0 DEADHO CN1C[C@@H]2CC[C@H]([NH2+]CCCc3ccc4c(c3)CCO4)[C@H]2C1 ZINC001660929598 1080415643 /nfs/dbraw/zinc/41/56/43/1080415643.db2.gz XCBLUSVRNIUJIK-BZSNNMDCSA-N 1 3 300.446 2.484 20 0 DEADHO CN(C/C=C\Cl)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001485766228 1080422016 /nfs/dbraw/zinc/42/20/16/1080422016.db2.gz CVAYTFLAAFQLBJ-NMNMAYGDSA-N 1 3 313.873 2.004 20 0 DEADHO CN(C/C=C\Cl)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001485766228 1080422017 /nfs/dbraw/zinc/42/20/17/1080422017.db2.gz CVAYTFLAAFQLBJ-NMNMAYGDSA-N 1 3 313.873 2.004 20 0 DEADHO CCC/C=C\CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001661267054 1080465754 /nfs/dbraw/zinc/46/57/54/1080465754.db2.gz JDSGWGLHXBGLSJ-UGZFAFSNSA-N 1 3 307.482 2.360 20 0 DEADHO CCN(CC[NH2+]Cc1cc(C)sc1C)C(=O)[C@H]1CCCN1C ZINC001268439339 1080468375 /nfs/dbraw/zinc/46/83/75/1080468375.db2.gz NNIGUJNUPVAKTM-MRXNPFEDSA-N 1 3 323.506 2.397 20 0 DEADHO CCCn1cncc1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC001661528315 1080490726 /nfs/dbraw/zinc/49/07/26/1080490726.db2.gz FARDKYZFIYXMRN-HZPDHXFCSA-N 1 3 308.470 2.272 20 0 DEADHO CCN(CCNC/C=C\Cl)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001268461735 1080531463 /nfs/dbraw/zinc/53/14/63/1080531463.db2.gz JKJOVXRJPUBHJF-LYASGUKUSA-N 1 3 315.889 2.297 20 0 DEADHO CCN(CCNC/C=C\Cl)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001268461735 1080531465 /nfs/dbraw/zinc/53/14/65/1080531465.db2.gz JKJOVXRJPUBHJF-LYASGUKUSA-N 1 3 315.889 2.297 20 0 DEADHO CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1cccc(C)c1)N(C)C ZINC001268492674 1080627092 /nfs/dbraw/zinc/62/70/92/1080627092.db2.gz JWYLNGNECBRZED-KRWDZBQOSA-N 1 3 305.466 2.273 20 0 DEADHO CN(CCNCc1ccsc1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001664007941 1080848550 /nfs/dbraw/zinc/84/85/50/1080848550.db2.gz BVYHTYIFYLHJSN-HZPDHXFCSA-N 1 3 321.490 2.313 20 0 DEADHO CN(CCNCc1ccsc1)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001664007941 1080848553 /nfs/dbraw/zinc/84/85/53/1080848553.db2.gz BVYHTYIFYLHJSN-HZPDHXFCSA-N 1 3 321.490 2.313 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCC1CC1 ZINC001268596625 1080853162 /nfs/dbraw/zinc/85/31/62/1080853162.db2.gz OAUDCZJYSXCOCH-LAQIPUCWSA-N 1 3 307.482 2.311 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]CCCC(C)(C)C ZINC001482143400 1080856894 /nfs/dbraw/zinc/85/68/94/1080856894.db2.gz OGANZBTVCAORLM-HOTGVXAUSA-N 1 3 311.514 2.496 20 0 DEADHO CCCN(C)CC(=O)NC/C=C\C[NH2+][C@H]1CCc2ccccc21 ZINC001268616271 1080891423 /nfs/dbraw/zinc/89/14/23/1080891423.db2.gz LHQNNGTUVNCIBE-MJRGOJFPSA-N 1 3 315.461 2.278 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[NH2+]Cc1ccc(F)cc1C ZINC001664324944 1080895146 /nfs/dbraw/zinc/89/51/46/1080895146.db2.gz WIVPCNXTTYYDGD-UHFFFAOYSA-N 1 3 309.429 2.024 20 0 DEADHO CC[C@H](C(=O)NC/C=C\C[NH2+][C@@H](C)c1ccccc1)N(C)C ZINC001268621165 1080898252 /nfs/dbraw/zinc/89/82/52/1080898252.db2.gz ZNLIZQAAWPJRAH-HXNUIPBLSA-N 1 3 303.450 2.350 20 0 DEADHO C[NH+](C)CCCCC(=O)NCC1CN(CC2=CCCCC2)C1 ZINC001268896160 1081034448 /nfs/dbraw/zinc/03/44/48/1081034448.db2.gz KPESUIMKGLYLAT-UHFFFAOYSA-N 1 3 307.482 2.267 20 0 DEADHO CC(C)=CCN1CC[C@@H](N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001665685862 1081062998 /nfs/dbraw/zinc/06/29/98/1081062998.db2.gz ALMXLNQXVHNJQS-QGZVFWFLSA-N 1 3 307.482 2.361 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CC2CC2)C1 ZINC001666172859 1081130526 /nfs/dbraw/zinc/13/05/26/1081130526.db2.gz MVQSFKQCTJBINI-MSOLQXFVSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC(CC[NH2+]CC[C@H](C)F)CC1 ZINC001666263000 1081138407 /nfs/dbraw/zinc/13/84/07/1081138407.db2.gz CTIQMMMTQQHPDR-HNNXBMFYSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+]CCc1cccs1 ZINC001667058732 1081206799 /nfs/dbraw/zinc/20/67/99/1081206799.db2.gz ITZAZOXRBRDLCA-AWEZNQCLSA-N 1 3 311.495 2.067 20 0 DEADHO CCC(CC)CN1CC(N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000950336230 1081311206 /nfs/dbraw/zinc/31/12/06/1081311206.db2.gz FTUUDCWJNXVGKI-GOSISDBHSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@H](CC[NH2+]Cc1ccsc1)NC(=O)C1(N(C)C)CCC1 ZINC001668086605 1081314729 /nfs/dbraw/zinc/31/47/29/1081314729.db2.gz FXBXOCYOBAFVFH-CYBMUJFWSA-N 1 3 309.479 2.217 20 0 DEADHO CCN(CC[NH2+]Cc1ccc(CF)cc1)C(=O)[C@@H]1CCCN1C ZINC001668381626 1081348605 /nfs/dbraw/zinc/34/86/05/1081348605.db2.gz DOGRCPTXLFAHGJ-KRWDZBQOSA-N 1 3 321.440 2.188 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]CCC2CC2)C1)N(C)C ZINC001269770317 1081362175 /nfs/dbraw/zinc/36/21/75/1081362175.db2.gz JCKVLZFTHREUOK-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CC/C=C\CC[NH2+]C[C@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001270263515 1081489165 /nfs/dbraw/zinc/48/91/65/1081489165.db2.gz NTHSRZVSTJUXAC-OSNZYPHYSA-N 1 3 307.482 2.265 20 0 DEADHO C[NH+]1CCC(CC(=O)N2CCN(CC3CC(C)(C)C3)CC2)CC1 ZINC000951198451 1081489485 /nfs/dbraw/zinc/48/94/85/1081489485.db2.gz FUGOAYOTDIJMIR-UHFFFAOYSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001270315757 1081499760 /nfs/dbraw/zinc/49/97/60/1081499760.db2.gz GFGBVFUKIROBJE-QGZVFWFLSA-N 1 3 307.482 2.408 20 0 DEADHO CCN(C(=O)[C@H]1C[N@H+](C)C[C@H]1C)C1CN(CC2CCCCC2)C1 ZINC000951749790 1081580074 /nfs/dbraw/zinc/58/00/74/1081580074.db2.gz HCAKANFHUIICCP-QAPCUYQASA-N 1 3 321.509 2.297 20 0 DEADHO CCN(C(=O)[C@H]1C[N@@H+](C)C[C@H]1C)C1CN(CC2CCCCC2)C1 ZINC000951749790 1081580081 /nfs/dbraw/zinc/58/00/81/1081580081.db2.gz HCAKANFHUIICCP-QAPCUYQASA-N 1 3 321.509 2.297 20 0 DEADHO CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001672864387 1081714236 /nfs/dbraw/zinc/71/42/36/1081714236.db2.gz YXRAOYSNLZWDMU-RHSMWYFYSA-N 1 3 313.461 2.047 20 0 DEADHO CC1([NH2+]CCCCCF)CCN(C(=O)CN2CCCC2)CC1 ZINC001673997543 1081822504 /nfs/dbraw/zinc/82/25/04/1081822504.db2.gz UYQGJRWFZKRYNW-UHFFFAOYSA-N 1 3 313.461 2.193 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CN1Cc1ccccc1 ZINC000717976781 1081855298 /nfs/dbraw/zinc/85/52/98/1081855298.db2.gz JHXVMGJPGKAEQX-VDHUWJSZSA-N 1 3 315.461 2.283 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CCCF)C1 ZINC001674587145 1081891677 /nfs/dbraw/zinc/89/16/77/1081891677.db2.gz ADWPVPCZPWWFNW-UYSNPLJNSA-N 1 3 313.461 2.093 20 0 DEADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C[NH2+]CCF ZINC001271712610 1082116318 /nfs/dbraw/zinc/11/63/18/1082116318.db2.gz SMCUHBWJLMYXQM-PBHICJAKSA-N 1 3 321.440 2.015 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCCCC23CC[NH2+]CC3)CN1C1CC1 ZINC001648975923 1082297867 /nfs/dbraw/zinc/29/78/67/1082297867.db2.gz DYQRTSSAGSTIGJ-HLLBOEOZSA-N 1 3 319.493 2.288 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CCF)C1 ZINC001266810858 1082361780 /nfs/dbraw/zinc/36/17/80/1082361780.db2.gz DWHQVNZXZBSOND-HZPDHXFCSA-N 1 3 313.461 2.047 20 0 DEADHO CCC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nc[nH]c1C ZINC001266904695 1082444343 /nfs/dbraw/zinc/44/43/43/1082444343.db2.gz WVLCEUCLYQFFOI-KJJBUCCFSA-N 1 3 316.449 2.053 20 0 DEADHO CCC/C=C\CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nc[nH]c1C ZINC001266904695 1082444350 /nfs/dbraw/zinc/44/43/50/1082444350.db2.gz WVLCEUCLYQFFOI-KJJBUCCFSA-N 1 3 316.449 2.053 20 0 DEADHO C[C@@H](CC[NH2+]CCc1ccccc1)NC(=O)CN1CC[C@H](C)C1 ZINC001482871214 1082537903 /nfs/dbraw/zinc/53/79/03/1082537903.db2.gz KLGJCYCAXVRKMF-IRXDYDNUSA-N 1 3 317.477 2.055 20 0 DEADHO CC[C@@H](C(=O)NC/C=C\C[NH2+][C@@H](C)c1ccccc1)N(C)C ZINC001483062134 1082680551 /nfs/dbraw/zinc/68/05/51/1082680551.db2.gz ZNLIZQAAWPJRAH-FFCOAZCZSA-N 1 3 303.450 2.350 20 0 DEADHO CC[C@H](C(=O)NC1CC(C[NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001409300132 1082751491 /nfs/dbraw/zinc/75/14/91/1082751491.db2.gz WZKUDIVXSJHXDK-AVVWSFFYSA-N 1 3 309.498 2.247 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](CC2=CCCCC2)C1)N(C)C ZINC001276454610 1083445124 /nfs/dbraw/zinc/44/51/24/1083445124.db2.gz XCEMVQXAAZSMOP-YOEHRIQHSA-N 1 3 307.482 2.264 20 0 DEADHO CC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552134 1083475467 /nfs/dbraw/zinc/47/54/67/1083475467.db2.gz GHROXWPBPQLECW-CRAIPNDOSA-N 1 3 309.498 2.345 20 0 DEADHO CC[N@H+]1CC[C@@]2(CNC(=O)CN(C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552134 1083475471 /nfs/dbraw/zinc/47/54/71/1083475471.db2.gz GHROXWPBPQLECW-CRAIPNDOSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1nc(C)c(C[NH+]2CCC3(CN(Cc4ccc[nH]4)C3)CC2)[nH]1 ZINC001276570228 1083494385 /nfs/dbraw/zinc/49/43/85/1083494385.db2.gz LWRAJRQRMFGDMP-UHFFFAOYSA-N 1 3 313.449 2.453 20 0 DEADHO CCCC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)CCC)CCC[C@@H]12 ZINC001107618044 1083522711 /nfs/dbraw/zinc/52/27/11/1083522711.db2.gz ZNYSUYZDYJQKJL-SJLPKXTDSA-N 1 3 309.498 2.489 20 0 DEADHO CCCC[N@H+]1CC[C@@]2(CNC(=O)CN(C)CCC)CCC[C@@H]12 ZINC001107618044 1083522713 /nfs/dbraw/zinc/52/27/13/1083522713.db2.gz ZNYSUYZDYJQKJL-SJLPKXTDSA-N 1 3 309.498 2.489 20 0 DEADHO COC(C[NH2+][C@@]12CC[C@@](NCc3ccc[nH]3)(C1)CCC2)OC ZINC001276645189 1083530828 /nfs/dbraw/zinc/53/08/28/1083530828.db2.gz YBIROBUWHNJRQN-SJORKVTESA-N 1 3 307.438 2.158 20 0 DEADHO C[NH+](C)CCN1CCC2(CN(CCc3cccc(Cl)c3)C2)C1 ZINC001276703782 1083557937 /nfs/dbraw/zinc/55/79/37/1083557937.db2.gz RYNWNHVWPYZPLU-UHFFFAOYSA-N 1 3 321.896 2.452 20 0 DEADHO [NH3+]CC[C@@H]1CN(c2ccc3c(n2)OCCNC3)c2ccccc21 ZINC001168544237 1083819356 /nfs/dbraw/zinc/81/93/56/1083819356.db2.gz HCDFOSTXOWSJQF-CQSZACIVSA-N 1 3 310.401 2.148 20 0 DEADHO CC/C=C/CC[NH+]1CC([C@@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001276389121 1083927476 /nfs/dbraw/zinc/92/74/76/1083927476.db2.gz ONIYOBNRIIOXBU-LLYBFZRZSA-N 1 3 307.482 2.264 20 0 DEADHO C(N[C@]12CC[C@]([NH2+]C3CCCC3)(C1)CCC2)[C@@H]1COCCO1 ZINC001277526941 1084018733 /nfs/dbraw/zinc/01/87/33/1084018733.db2.gz RNKZMUDQTZYFOT-KURKYZTESA-N 1 3 308.466 2.369 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)C[C@H]([NH3+])CC(C)C)C2)cc1 ZINC001649045524 1084036495 /nfs/dbraw/zinc/03/64/95/1084036495.db2.gz GUXLCRXWIRWPRA-QZTJIDSGSA-N 1 3 317.477 2.449 20 0 DEADHO C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001491072343 1084048816 /nfs/dbraw/zinc/04/88/16/1084048816.db2.gz RNHMRQYIYLCNMR-IYBDPMFKSA-N 1 3 321.440 2.294 20 0 DEADHO CN1CCC([N@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)CC1 ZINC001277624345 1084063349 /nfs/dbraw/zinc/06/33/49/1084063349.db2.gz AJCUTBPDTKUFLY-CALCHBBNSA-N 1 3 316.493 2.253 20 0 DEADHO CN1CCC([N@@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)CC1 ZINC001277624345 1084063352 /nfs/dbraw/zinc/06/33/52/1084063352.db2.gz AJCUTBPDTKUFLY-CALCHBBNSA-N 1 3 316.493 2.253 20 0 DEADHO CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C(C)(C)N1CCCCC1 ZINC001277646579 1084075246 /nfs/dbraw/zinc/07/52/46/1084075246.db2.gz IQUPMTQGZMKQBP-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CCCCCCN(C)CC(=O)NCCC[NH2+]Cc1cccnc1 ZINC001168596478 1084116793 /nfs/dbraw/zinc/11/67/93/1084116793.db2.gz XGIBLHIWZJUURT-UHFFFAOYSA-N 1 3 320.481 2.190 20 0 DEADHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2ccsc2)CC1 ZINC001203460519 1084129159 /nfs/dbraw/zinc/12/91/59/1084129159.db2.gz RBMIJOWHNPOMCW-UHFFFAOYSA-N 1 3 309.479 2.171 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CC[C@H](C)F ZINC001491457456 1084326032 /nfs/dbraw/zinc/32/60/32/1084326032.db2.gz SSTYLEJHARDDMJ-UONOGXRCSA-N 1 3 301.450 2.093 20 0 DEADHO Cc1ncsc1CN1CCC2(C1)CC[NH+](C[C@@H](C)O)CC2 ZINC001277960616 1084494041 /nfs/dbraw/zinc/49/40/41/1084494041.db2.gz KSWFHRLAOKSMGG-CYBMUJFWSA-N 1 3 309.479 2.120 20 0 DEADHO Brc1cccc([C@@H]2CN(CCC3C[NH2+]C3)CCN2)c1 ZINC001235795556 1084530656 /nfs/dbraw/zinc/53/06/56/1084530656.db2.gz NNEJAMILFBUYRS-HNNXBMFYSA-N 1 3 324.266 2.005 20 0 DEADHO CCc1cc(CN2CCC[C@H](N3CC([NH3+])C3)C2)cc(CC)c1O ZINC001236077470 1084606006 /nfs/dbraw/zinc/60/60/06/1084606006.db2.gz HYBYCMNETMXJEN-SFHVURJKSA-N 1 3 317.477 2.124 20 0 DEADHO CCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N2CCCC2)C12CCC2 ZINC001078695650 1084828016 /nfs/dbraw/zinc/82/80/16/1084828016.db2.gz POCRYRSZOHZMFZ-GJZGRUSLSA-N 1 3 307.482 2.288 20 0 DEADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)NCc1ccccc1F ZINC001485940261 1085008515 /nfs/dbraw/zinc/00/85/15/1085008515.db2.gz HOCTUMNVOBPATL-CQSZACIVSA-N 1 3 309.429 2.104 20 0 DEADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)NCc1ccccc1F ZINC001485940261 1085008521 /nfs/dbraw/zinc/00/85/21/1085008521.db2.gz HOCTUMNVOBPATL-CQSZACIVSA-N 1 3 309.429 2.104 20 0 DEADHO CC(C)CCC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H]1C ZINC001486081202 1085047693 /nfs/dbraw/zinc/04/76/93/1085047693.db2.gz IFGZLEWVGOXAOL-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001486218868 1085150659 /nfs/dbraw/zinc/15/06/59/1085150659.db2.gz AOZSNGAAGRWBMJ-GOEBONIOSA-N 1 3 323.506 2.463 20 0 DEADHO CC[C@H](C)C[N@H+](C)C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001494136485 1085171854 /nfs/dbraw/zinc/17/18/54/1085171854.db2.gz DRQBZZPMIZGLOE-HOTGVXAUSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C)C[N@@H+](C)C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001494136485 1085171856 /nfs/dbraw/zinc/17/18/56/1085171856.db2.gz DRQBZZPMIZGLOE-HOTGVXAUSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]CC[C@@H](C)F)C(C)(C)C ZINC001486424483 1085298458 /nfs/dbraw/zinc/29/84/58/1085298458.db2.gz NPMUKDUZKHNNAG-KGLIPLIRSA-N 1 3 303.466 2.195 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCC1)C1CC1 ZINC000960685664 1085413520 /nfs/dbraw/zinc/41/35/20/1085413520.db2.gz UOIJKOZEVLPFHN-ZWKOTPCHSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCC1)C1CC1 ZINC000960685664 1085413525 /nfs/dbraw/zinc/41/35/25/1085413525.db2.gz UOIJKOZEVLPFHN-ZWKOTPCHSA-N 1 3 321.509 2.440 20 0 DEADHO CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961189194 1085629792 /nfs/dbraw/zinc/62/97/92/1085629792.db2.gz YJKGOFLJIFMTPS-HZPDHXFCSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961189194 1085629794 /nfs/dbraw/zinc/62/97/94/1085629794.db2.gz YJKGOFLJIFMTPS-HZPDHXFCSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1csc(C)c1)N(C)C ZINC001273018966 1085983050 /nfs/dbraw/zinc/98/30/50/1085983050.db2.gz QPJBZCQYEWSAPP-DOMZBBRYSA-N 1 3 311.495 2.381 20 0 DEADHO C[C@H]1CCCN1CC(=O)NC1CC(C[NH2+]CC2CCCC2)C1 ZINC000962307423 1086061113 /nfs/dbraw/zinc/06/11/13/1086061113.db2.gz RINZEKJBUXIWFD-OOHWJJMZSA-N 1 3 307.482 2.145 20 0 DEADHO CCc1cccc(C[NH2+]CCNC(=O)[C@H](F)CN(CC)CC)c1 ZINC001128532926 1086186465 /nfs/dbraw/zinc/18/64/65/1086186465.db2.gz BMGRDMXGXQVEBD-QGZVFWFLSA-N 1 3 323.456 2.135 20 0 DEADHO CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963367514 1086428526 /nfs/dbraw/zinc/42/85/26/1086428526.db2.gz QIPAARGYNJCQCG-DOTOQJQBSA-N 1 3 318.465 2.455 20 0 DEADHO CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963367514 1086428530 /nfs/dbraw/zinc/42/85/30/1086428530.db2.gz QIPAARGYNJCQCG-DOTOQJQBSA-N 1 3 318.465 2.455 20 0 DEADHO C[C@@H](CNC(=O)[C@H]1CC[C@H]([NH3+])CC1)N(C)Cc1ccccc1 ZINC000711019742 1086693391 /nfs/dbraw/zinc/69/33/91/1086693391.db2.gz PGJSPOGGDJQLAK-XIRDDKMYSA-N 1 3 303.450 2.141 20 0 DEADHO CN(C)CCN1CC[C@]2(CCC[N@H+](CCC3CC3)CC2)C1=O ZINC001273164725 1087119529 /nfs/dbraw/zinc/11/95/29/1087119529.db2.gz ZEPPVEPMUVXJDE-GOSISDBHSA-N 1 3 307.482 2.053 20 0 DEADHO CN(C)CCN1CC[C@]2(CCC[N@@H+](CCC3CC3)CC2)C1=O ZINC001273164725 1087119530 /nfs/dbraw/zinc/11/95/30/1087119530.db2.gz ZEPPVEPMUVXJDE-GOSISDBHSA-N 1 3 307.482 2.053 20 0 DEADHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCC1CCCC1 ZINC001273167525 1087141285 /nfs/dbraw/zinc/14/12/85/1087141285.db2.gz QVOMQCVOIXQQJY-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCC1CCCC1 ZINC001273167525 1087141287 /nfs/dbraw/zinc/14/12/87/1087141287.db2.gz QVOMQCVOIXQQJY-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)CCN1CC[C@@]2(CCC[N@@H+]2CCC2CCCC2)C1=O ZINC001273167940 1087145810 /nfs/dbraw/zinc/14/58/10/1087145810.db2.gz UFUCFHFSJORGRA-SFHVURJKSA-N 1 3 307.482 2.195 20 0 DEADHO CN(C)CCN1CC[C@@]2(CCC[N@H+]2CCC2CCCC2)C1=O ZINC001273167940 1087145812 /nfs/dbraw/zinc/14/58/12/1087145812.db2.gz UFUCFHFSJORGRA-SFHVURJKSA-N 1 3 307.482 2.195 20 0 DEADHO CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1c1cccc(F)c1 ZINC001079199934 1087741143 /nfs/dbraw/zinc/74/11/43/1087741143.db2.gz WPOJEWAKABDCIL-BBWFWOEESA-N 1 3 321.440 2.070 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC001079849942 1088475582 /nfs/dbraw/zinc/47/55/82/1088475582.db2.gz CTTHOUPLVVVXJT-KBAYOESNSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC001079849942 1088475587 /nfs/dbraw/zinc/47/55/87/1088475587.db2.gz CTTHOUPLVVVXJT-KBAYOESNSA-N 1 3 321.509 2.486 20 0 DEADHO CC[N@H+](CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1)C(C)C ZINC000957753185 1088599102 /nfs/dbraw/zinc/59/91/02/1088599102.db2.gz BWHLLIFJQYVELA-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@@H+](CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1)C(C)C ZINC000957753185 1088599110 /nfs/dbraw/zinc/59/91/10/1088599110.db2.gz BWHLLIFJQYVELA-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H](C(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C)N1CCCCCC1 ZINC001080554367 1089062425 /nfs/dbraw/zinc/06/24/25/1089062425.db2.gz NDNLLZVEWSKWQC-JFIYKMOQSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C)N1CCCCCC1 ZINC001080554367 1089062443 /nfs/dbraw/zinc/06/24/43/1089062443.db2.gz NDNLLZVEWSKWQC-JFIYKMOQSA-N 1 3 321.509 2.488 20 0 DEADHO CC[NH2+]C[C@@H]1c2ccccc2CCN1C(=O)C1(N(C)C)CCC1 ZINC000958790612 1089184041 /nfs/dbraw/zinc/18/40/41/1089184041.db2.gz HIAQNDJGTWERGF-QGZVFWFLSA-N 1 3 315.461 2.206 20 0 DEADHO CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)C[NH2+]C1CC1 ZINC000719957289 1089419579 /nfs/dbraw/zinc/41/95/79/1089419579.db2.gz BBMNCIUYBMNINE-GOSISDBHSA-N 1 3 315.461 2.252 20 0 DEADHO CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)CNC1CC1 ZINC000719957289 1089419597 /nfs/dbraw/zinc/41/95/97/1089419597.db2.gz BBMNCIUYBMNINE-GOSISDBHSA-N 1 3 315.461 2.252 20 0 DEADHO CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)CNC1CC1 ZINC000719957289 1089419605 /nfs/dbraw/zinc/41/96/05/1089419605.db2.gz BBMNCIUYBMNINE-GOSISDBHSA-N 1 3 315.461 2.252 20 0 DEADHO CC[NH2+]CC(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1 ZINC000719957308 1089419770 /nfs/dbraw/zinc/41/97/70/1089419770.db2.gz BEUBOCBFOZQSIX-QGZVFWFLSA-N 1 3 303.450 2.109 20 0 DEADHO CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000960138032 1089978365 /nfs/dbraw/zinc/97/83/65/1089978365.db2.gz SILBTAPXXNRZLX-WMLDXEAASA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001082724762 1090061394 /nfs/dbraw/zinc/06/13/94/1090061394.db2.gz HXIJRWRUHMVTFU-DJIMGWMZSA-N 1 3 323.525 2.445 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCCF)C1 ZINC001082851971 1090088564 /nfs/dbraw/zinc/08/85/64/1090088564.db2.gz MSULXXPYIOCJKQ-BZUAXINKSA-N 1 3 313.461 2.047 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCCF)C1 ZINC001082851971 1090088579 /nfs/dbraw/zinc/08/85/79/1090088579.db2.gz MSULXXPYIOCJKQ-BZUAXINKSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)(C(=O)N1C[C@H]2CC[N@H+](CC3CC3)C[C@H]21)N1CCCCC1 ZINC001084344921 1090272271 /nfs/dbraw/zinc/27/22/71/1090272271.db2.gz MHLMMZJGXJDJSS-IAGOWNOFSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)(C(=O)N1C[C@H]2CC[N@@H+](CC3CC3)C[C@H]21)N1CCCCC1 ZINC001084344921 1090272275 /nfs/dbraw/zinc/27/22/75/1090272275.db2.gz MHLMMZJGXJDJSS-IAGOWNOFSA-N 1 3 319.493 2.194 20 0 DEADHO CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC001084603605 1090344100 /nfs/dbraw/zinc/34/41/00/1090344100.db2.gz AGYLOUXGYMDWDB-BPQIPLTHSA-N 1 3 319.493 2.336 20 0 DEADHO CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC001084603605 1090344108 /nfs/dbraw/zinc/34/41/08/1090344108.db2.gz AGYLOUXGYMDWDB-BPQIPLTHSA-N 1 3 319.493 2.336 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001084701253 1090401613 /nfs/dbraw/zinc/40/16/13/1090401613.db2.gz VADAWISAQYAHHE-GVDBMIGSSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001084701253 1090401617 /nfs/dbraw/zinc/40/16/17/1090401617.db2.gz VADAWISAQYAHHE-GVDBMIGSSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001084701253 1090401619 /nfs/dbraw/zinc/40/16/19/1090401619.db2.gz VADAWISAQYAHHE-GVDBMIGSSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)=CCN1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084702282 1090402491 /nfs/dbraw/zinc/40/24/91/1090402491.db2.gz QBJLPTSYLHBYOH-QZTJIDSGSA-N 1 3 319.493 2.217 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001410190450 1090406755 /nfs/dbraw/zinc/40/67/55/1090406755.db2.gz ZSWYJANWNPJWFL-VQHPVUNQSA-N 1 3 309.498 2.390 20 0 DEADHO CN1CCN(c2ccc(NCC(C)(C)C[NH+](C)C)cc2)CC1 ZINC001168768240 1090903651 /nfs/dbraw/zinc/90/36/51/1090903651.db2.gz RSZFBYGKCJEXLH-UHFFFAOYSA-N 1 3 304.482 2.438 20 0 DEADHO Cc1ccc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCCN2C)cc1C ZINC001274263208 1091157706 /nfs/dbraw/zinc/15/77/06/1091157706.db2.gz OBLHZMNRYKNZTM-SHCNBLLESA-N 1 3 315.461 2.160 20 0 DEADHO CCN(CC[NH2+]C/C=C\Cl)C(=O)[C@@H]1CCCCN1CC ZINC001320929610 1091392902 /nfs/dbraw/zinc/39/29/02/1091392902.db2.gz TXYQLJXDFIYTMX-LEJCZOIISA-N 1 3 301.862 2.051 20 0 DEADHO Brc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC13CNC3)CC2 ZINC001246442956 1091720654 /nfs/dbraw/zinc/72/06/54/1091720654.db2.gz FGVKZIHBTWOTQE-ZIAGYGMSSA-N 1 3 307.235 2.258 20 0 DEADHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(CN(C)C)c1 ZINC001275443682 1091752088 /nfs/dbraw/zinc/75/20/88/1091752088.db2.gz GEVYIHGSHOEOED-ALOPSCKCSA-N 1 3 301.434 2.103 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N(C)[C@H]1CCC[N@H+](CCCF)CC1 ZINC000948775685 1091929222 /nfs/dbraw/zinc/92/92/22/1091929222.db2.gz OIDDMNSNCCGLNI-CVEARBPZSA-N 1 3 313.461 2.143 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N(C)[C@H]1CCC[N@@H+](CCCF)CC1 ZINC000948775685 1091929231 /nfs/dbraw/zinc/92/92/31/1091929231.db2.gz OIDDMNSNCCGLNI-CVEARBPZSA-N 1 3 313.461 2.143 20 0 DEADHO CN(C)C1(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CCCC1 ZINC001411824927 1092157580 /nfs/dbraw/zinc/15/75/80/1092157580.db2.gz JIEPBWFRWZDVOW-UHFFFAOYSA-N 1 3 307.482 2.338 20 0 DEADHO CN(C)C1(C(=O)N2CCC[N@H+](C3CCCC3)CC2)CCCC1 ZINC001411824927 1092157583 /nfs/dbraw/zinc/15/75/83/1092157583.db2.gz JIEPBWFRWZDVOW-UHFFFAOYSA-N 1 3 307.482 2.338 20 0 DEADHO CN(C)CC[N@@H+]1CCC[C@@]2(CCCN(Cc3ccc[nH]3)C2)C1 ZINC001275854739 1092232567 /nfs/dbraw/zinc/23/25/67/1092232567.db2.gz FXAOFRLQAIJPRF-GOSISDBHSA-N 1 3 304.482 2.254 20 0 DEADHO CN(C)CC[N@H+]1CCC[C@@]2(CCCN(Cc3ccc[nH]3)C2)C1 ZINC001275854739 1092232583 /nfs/dbraw/zinc/23/25/83/1092232583.db2.gz FXAOFRLQAIJPRF-GOSISDBHSA-N 1 3 304.482 2.254 20 0 DEADHO CN(C)CC[N@@H+]1CCC[C@]2(CCCN(Cc3cccnc3)C2)C1 ZINC001275886016 1092271139 /nfs/dbraw/zinc/27/11/39/1092271139.db2.gz RUXJBWCGYOKGHO-IBGZPJMESA-N 1 3 316.493 2.321 20 0 DEADHO CN(C)CC[N@H+]1CCC[C@]2(CCCN(Cc3cccnc3)C2)C1 ZINC001275886016 1092271148 /nfs/dbraw/zinc/27/11/48/1092271148.db2.gz RUXJBWCGYOKGHO-IBGZPJMESA-N 1 3 316.493 2.321 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)c2cccc(CC[NH+](C)C)c2)CN1C1CC1 ZINC001411895653 1092309563 /nfs/dbraw/zinc/30/95/63/1092309563.db2.gz GHPYLLDAAYJMIB-WMLDXEAASA-N 1 3 315.461 2.146 20 0 DEADHO C[NH+](C)CCN1CC[C@]2(C1)CCCN(Cc1cccc(F)n1)C2 ZINC001275957475 1092376849 /nfs/dbraw/zinc/37/68/49/1092376849.db2.gz YMGUUONSCAJJCV-SFHVURJKSA-N 1 3 320.456 2.070 20 0 DEADHO CN(CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1)C1CCC1 ZINC001488739211 1092717720 /nfs/dbraw/zinc/71/77/20/1092717720.db2.gz DGQTZDZYYLRPDQ-CALCHBBNSA-N 1 3 315.461 2.155 20 0 DEADHO CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN(C)C1CCC1 ZINC001489087895 1092939221 /nfs/dbraw/zinc/93/92/21/1092939221.db2.gz SSONLIVJIOJAHS-BPQIPLTHSA-N 1 3 321.509 2.486 20 0 DEADHO CCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN(C)C1CCC1 ZINC001489087895 1092939227 /nfs/dbraw/zinc/93/92/27/1092939227.db2.gz SSONLIVJIOJAHS-BPQIPLTHSA-N 1 3 321.509 2.486 20 0 DEADHO CCCCC[NH+]1CCC(N(C)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001490416775 1093371697 /nfs/dbraw/zinc/37/16/97/1093371697.db2.gz RDFKVPHRYRUBTH-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@H](F)CC[NH2+]C[C@@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001671747468 1093864243 /nfs/dbraw/zinc/86/42/43/1093864243.db2.gz INTCNZSRTGOWGG-GOEBONIOSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OCCCN1CCN(C)CC1)C2 ZINC001206589462 1138323933 /nfs/dbraw/zinc/32/39/33/1138323933.db2.gz FNMZUCXANJJAKT-PIIMJCKOSA-N 1 3 309.498 2.044 20 0 DEADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](OCCCN1CCN(C)CC1)C2 ZINC001206589462 1138323939 /nfs/dbraw/zinc/32/39/39/1138323939.db2.gz FNMZUCXANJJAKT-PIIMJCKOSA-N 1 3 309.498 2.044 20 0 DEADHO COc1ccc(OC)c(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1F ZINC001236320853 1138351500 /nfs/dbraw/zinc/35/15/00/1138351500.db2.gz KROUPNRRNRVOGD-BETUJISGSA-N 1 3 308.397 2.274 20 0 DEADHO CC(=O)OC[C@@H]1CCC2(C1)CCN(C[C@@H]1C[NH2+]C(C)(C)O1)CC2 ZINC001236322883 1138352208 /nfs/dbraw/zinc/35/22/08/1138352208.db2.gz VNDAKIHPWYVKEJ-CVEARBPZSA-N 1 3 324.465 2.156 20 0 DEADHO CCOC(=O)c1ccsc1CN1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236322396 1138352449 /nfs/dbraw/zinc/35/24/49/1138352449.db2.gz VKDWTFRHWIJTGR-BETUJISGSA-N 1 3 308.447 2.356 20 0 DEADHO Cc1c(F)cccc1NC(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239217064 1138991185 /nfs/dbraw/zinc/99/11/85/1138991185.db2.gz QVIFNFKRXSLGPT-CYBMUJFWSA-N 1 3 320.412 2.130 20 0 DEADHO NCCC[NH2+]CCCNC(=O)Nc1ccc2sccc2c1 ZINC001239252216 1139004309 /nfs/dbraw/zinc/00/43/09/1139004309.db2.gz AZTGLUIEMAJFFW-UHFFFAOYSA-N 1 3 306.435 2.351 20 0 DEADHO CN1CC=C(c2ccc(NC(=O)NC3CC[NH2+]CC3)cc2)CC1 ZINC001241330225 1139787355 /nfs/dbraw/zinc/78/73/55/1139787355.db2.gz LDCIONNYVJIHPG-UHFFFAOYSA-N 1 3 314.433 2.279 20 0 DEADHO CN(C)/C=C/c1ccncc1-c1ccnc(N2CC[NH2+]CC2)c1 ZINC001242397566 1139899057 /nfs/dbraw/zinc/89/90/57/1139899057.db2.gz HNRCNMLSVRYJFG-BJMVGYQFSA-N 1 3 309.417 2.086 20 0 DEADHO C[C@H]1CN(C[C@@H](O)COc2cccc3ccccc32)C[C@H]1C[NH3+] ZINC001246018279 1140846350 /nfs/dbraw/zinc/84/63/50/1140846350.db2.gz VKLHATOTENTNDX-USXIJHARSA-N 1 3 314.429 2.106 20 0 DEADHO [NH3+][C@H]1CCCN(C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC001246018314 1140846689 /nfs/dbraw/zinc/84/66/89/1140846689.db2.gz VOQBXFKSNSARTE-DLBZAZTESA-N 1 3 314.429 2.393 20 0 DEADHO C[C@@]1([NH3+])CCCN(C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC001246025566 1140849138 /nfs/dbraw/zinc/84/91/38/1140849138.db2.gz YZLBNKZEFDQECJ-GOEBONIOSA-N 1 3 312.841 2.283 20 0 DEADHO O[C@]1(C[NH+]2CCC(Cc3ccccc3F)CC2)CCCNC1 ZINC001246059083 1140855335 /nfs/dbraw/zinc/85/53/35/1140855335.db2.gz YTPRCEHZWZLFHW-GOSISDBHSA-N 1 3 306.425 2.195 20 0 DEADHO O[C@]1(CN2CCC(Cc3ccccc3F)CC2)CCC[NH2+]C1 ZINC001246059083 1140855337 /nfs/dbraw/zinc/85/53/37/1140855337.db2.gz YTPRCEHZWZLFHW-GOSISDBHSA-N 1 3 306.425 2.195 20 0 DEADHO CCC[C@@H](CCc1ccccc1)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246085317 1140859171 /nfs/dbraw/zinc/85/91/71/1140859171.db2.gz WMDDMDAYDWHWOG-OKZBNKHCSA-N 1 3 308.441 2.440 20 0 DEADHO O=C(c1ccccc1)N1CCC[C@@H]([NH2+][C@H]2CCCCNC2)C1 ZINC001246089361 1140859812 /nfs/dbraw/zinc/85/98/12/1140859812.db2.gz DHMGBUSQHRFGLW-DLBZAZTESA-N 1 3 301.434 2.023 20 0 DEADHO C[C@@H]1C[C@@H](NCCN2CCC(Cc3ccccc3)CC2)C[NH2+]1 ZINC001246091605 1140860041 /nfs/dbraw/zinc/86/00/41/1140860041.db2.gz FPHIITNFOYFKAO-VQIMIIECSA-N 1 3 301.478 2.281 20 0 DEADHO C[C@@H](CC[NH2+]CC1CC(F)(F)C1)NC(=O)C1(N(C)C)CCC1 ZINC001320444975 1140866392 /nfs/dbraw/zinc/86/63/92/1140866392.db2.gz DFYXFYLBJZVGJS-LBPRGKRZSA-N 1 3 317.424 2.000 20 0 DEADHO COc1ccccc1CN1CCC([NH2+][C@@H]2CC[C@H](C)NC2)CC1 ZINC001246177658 1140870114 /nfs/dbraw/zinc/87/01/14/1140870114.db2.gz CRDCLSOCWGSHTK-MAUKXSAKSA-N 1 3 317.477 2.390 20 0 DEADHO Nc1ncc(CC[NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)s1 ZINC001246320177 1140884058 /nfs/dbraw/zinc/88/40/58/1140884058.db2.gz HOOJOJWGLOULQS-LSDHHAIUSA-N 1 3 316.474 2.221 20 0 DEADHO Nc1ncc(CCN[C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)s1 ZINC001246320177 1140884059 /nfs/dbraw/zinc/88/40/59/1140884059.db2.gz HOOJOJWGLOULQS-LSDHHAIUSA-N 1 3 316.474 2.221 20 0 DEADHO Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]C[C@H]2CSCCN2)CCN1 ZINC001246333831 1140884992 /nfs/dbraw/zinc/88/49/92/1140884992.db2.gz ARPLWLXRQKIQAO-ZOBUZTSGSA-N 1 3 323.481 2.222 20 0 DEADHO Fc1ccc(CN2CCC(N[C@H]3CCC[NH2+]C3)CC2)c(F)c1 ZINC001246352253 1140887151 /nfs/dbraw/zinc/88/71/51/1140887151.db2.gz BKPOACCLXPZGGG-INIZCTEOSA-N 1 3 309.404 2.271 20 0 DEADHO COc1cccc(C2(C[NH2+][C@H]3CCN[C@@H](C)C3)CCOCC2)c1 ZINC001246374441 1140890123 /nfs/dbraw/zinc/89/01/23/1140890123.db2.gz LNLXJKOXAJFNNR-RDJZCZTQSA-N 1 3 318.461 2.474 20 0 DEADHO CC(C)C[C@@H](Cc1ccccc1)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246416817 1140895757 /nfs/dbraw/zinc/89/57/57/1140895757.db2.gz MHJZRWGORVMIJU-IRXDYDNUSA-N 1 3 305.466 2.216 20 0 DEADHO COc1ccc2c(c1)C[C@@H](CNC1C[C@H]3CC[C@@H](C1)[NH2+]3)CO2 ZINC001246419818 1140896755 /nfs/dbraw/zinc/89/67/55/1140896755.db2.gz JHHQWROPKQBLRA-NTQSIJHJSA-N 1 3 302.418 2.119 20 0 DEADHO C[C@@H]1C[C@@H](N[C@@H](CN(C)C)C23CC4CC(CC(C4)C2)C3)C[NH2+]1 ZINC001246491796 1140920937 /nfs/dbraw/zinc/92/09/37/1140920937.db2.gz UKFLTPOCWPJKCP-GCSVHJGHSA-N 1 3 305.510 2.473 20 0 DEADHO CCN(CC[NH2+]Cc1ccccc1C)C(=O)CN1CCCC1 ZINC001320920596 1140991058 /nfs/dbraw/zinc/99/10/58/1140991058.db2.gz KSZMTYHNWIFRGL-UHFFFAOYSA-N 1 3 303.450 2.029 20 0 DEADHO C[NH2+]CC[C@@H](C)N1CC[C@@]2(CC(=O)N(c3cccc(C)c3)C2)C1 ZINC001246743746 1141048542 /nfs/dbraw/zinc/04/85/42/1141048542.db2.gz HWOVGRPUIXDMEW-VQIMIIECSA-N 1 3 315.461 2.422 20 0 DEADHO C[C@H]1C[C@@H](N(Cc2ccccc2)[C@@H]2CCNC[C@H]2F)CC[NH2+]1 ZINC001246833276 1141079571 /nfs/dbraw/zinc/07/95/71/1141079571.db2.gz KALLOSSADWZAJQ-DZJNRPSUSA-N 1 3 305.441 2.329 20 0 DEADHO CC[C@H](C(=O)NC/C=C/C[NH2+]Cc1cc(C)ccc1C)N(C)C ZINC001321339567 1141183922 /nfs/dbraw/zinc/18/39/22/1141183922.db2.gz WEFSIHCXOMJYDM-LKGOPFMKSA-N 1 3 317.477 2.406 20 0 DEADHO FC(F)(F)[C@@H]1C[C@H]([N@H+](C[C@@H]2CCCNC2)C2CC2)CCN1 ZINC001246975886 1141208150 /nfs/dbraw/zinc/20/81/50/1141208150.db2.gz UJCXSOCAXRQJHC-BNOWGMLFSA-N 1 3 305.388 2.133 20 0 DEADHO FC(F)(F)[C@@H]1C[C@H]([N@@H+](C[C@@H]2CCCNC2)C2CC2)CCN1 ZINC001246975886 1141208160 /nfs/dbraw/zinc/20/81/60/1141208160.db2.gz UJCXSOCAXRQJHC-BNOWGMLFSA-N 1 3 305.388 2.133 20 0 DEADHO c1ccc2cc(-c3noc([C@@H]4CNCC45C[NH2+]C5)n3)ccc2c1 ZINC001247827966 1141541780 /nfs/dbraw/zinc/54/17/80/1141541780.db2.gz ABHUGLNNYRZNLD-HNNXBMFYSA-N 1 3 306.369 2.166 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CCC[NH2+]CC=C(Cl)Cl ZINC001322843532 1141739947 /nfs/dbraw/zinc/73/99/47/1141739947.db2.gz CNGJBVNRDXQWHP-UHFFFAOYSA-N 1 3 310.269 2.084 20 0 DEADHO COc1cccc([C@@H](O)CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001250735488 1142299220 /nfs/dbraw/zinc/29/92/20/1142299220.db2.gz XGWBVCZNZOTDQG-CUSZFKRNSA-N 1 3 304.434 2.334 20 0 DEADHO COc1cccc([C@@H](O)CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001250735488 1142299236 /nfs/dbraw/zinc/29/92/36/1142299236.db2.gz XGWBVCZNZOTDQG-CUSZFKRNSA-N 1 3 304.434 2.334 20 0 DEADHO CC(C)N1CC[C@@H]([NH2+]C[C@H](O)COc2cccc(F)c2)[C@H](C)C1 ZINC001250842670 1142333905 /nfs/dbraw/zinc/33/39/05/1142333905.db2.gz UOYXMDFLZKMFHQ-UWWQBHOKSA-N 1 3 324.440 2.274 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@H](O)COc1ccc(F)cc1)C2 ZINC001251945628 1142558535 /nfs/dbraw/zinc/55/85/35/1142558535.db2.gz CVLATVFEABOSHE-YVSFHVDLSA-N 1 3 322.424 2.170 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@H](O)COc1ccc(F)cc1)C2 ZINC001251945628 1142558550 /nfs/dbraw/zinc/55/85/50/1142558550.db2.gz CVLATVFEABOSHE-YVSFHVDLSA-N 1 3 322.424 2.170 20 0 DEADHO OCCCOCCN[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001336753957 1142559672 /nfs/dbraw/zinc/55/96/72/1142559672.db2.gz CCFDRVJURKZXJA-MJGOQNOKSA-N 1 3 318.461 2.343 20 0 DEADHO OCCCOCCN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001336753957 1142559685 /nfs/dbraw/zinc/55/96/85/1142559685.db2.gz CCFDRVJURKZXJA-MJGOQNOKSA-N 1 3 318.461 2.343 20 0 DEADHO CC(C)N1CC[C@@H]([NH2+]C[C@@H](O)COc2ccc(F)cc2)[C@H](C)C1 ZINC001251953098 1142562250 /nfs/dbraw/zinc/56/22/50/1142562250.db2.gz RJCOSDOKYQAACR-QGPMSJSTSA-N 1 3 324.440 2.274 20 0 DEADHO CC[NH+](CC)C[C@@H](O)CNC(C)(C)Cc1cccc(OC)c1 ZINC001253213044 1142854948 /nfs/dbraw/zinc/85/49/48/1142854948.db2.gz JUSIXOVJWRDUMA-INIZCTEOSA-N 1 3 308.466 2.309 20 0 DEADHO CC[N@@H+]1CC[C@H](CNCCC(=O)Nc2ccc(N(C)C)cc2)C1 ZINC001338449443 1142856935 /nfs/dbraw/zinc/85/69/35/1142856935.db2.gz KPCGEQFLMSAAEB-OAHLLOKOSA-N 1 3 318.465 2.013 20 0 DEADHO CC[N@H+]1CC[C@H](CNCCC(=O)Nc2ccc(N(C)C)cc2)C1 ZINC001338449443 1142856936 /nfs/dbraw/zinc/85/69/36/1142856936.db2.gz KPCGEQFLMSAAEB-OAHLLOKOSA-N 1 3 318.465 2.013 20 0 DEADHO CCN1CC[C@H](C[NH2+]CCC(=O)Nc2ccc(N(C)C)cc2)C1 ZINC001338449443 1142856937 /nfs/dbraw/zinc/85/69/37/1142856937.db2.gz KPCGEQFLMSAAEB-OAHLLOKOSA-N 1 3 318.465 2.013 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]C[C@H](O)Cc2ccccc2)C[C@@H](C)O1 ZINC001338464068 1142857719 /nfs/dbraw/zinc/85/77/19/1142857719.db2.gz YZXCGXUTNFVHBE-ZHALLVOQSA-N 1 3 320.477 2.069 20 0 DEADHO NCCC[NH2+]CCCCn1cc(-c2nccc3ccccc32)nn1 ZINC001254162419 1143051177 /nfs/dbraw/zinc/05/11/77/1143051177.db2.gz AULLQCMFIHPPSS-UHFFFAOYSA-N 1 3 324.432 2.212 20 0 DEADHO COC(=O)C[C@@H]([NH2+][C@H]1CCCN(C)CC1)c1ccc(O)cc1 ZINC001254507414 1143156777 /nfs/dbraw/zinc/15/67/77/1143156777.db2.gz BQTITUPHNBFKBW-GOEBONIOSA-N 1 3 306.406 2.070 20 0 DEADHO CN1CCC[C@@H]([N@@H+]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1 ZINC001254519873 1143179873 /nfs/dbraw/zinc/17/98/73/1143179873.db2.gz KWMNJNARRADJDT-OAGGEKHMSA-N 1 3 323.481 2.412 20 0 DEADHO CN1CCC[C@@H]([N@H+]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1 ZINC001254519873 1143179900 /nfs/dbraw/zinc/17/99/00/1143179900.db2.gz KWMNJNARRADJDT-OAGGEKHMSA-N 1 3 323.481 2.412 20 0 DEADHO CN1CCC[C@@H]([NH+]2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254527018 1143212516 /nfs/dbraw/zinc/21/25/16/1143212516.db2.gz VLXLDZPSRIIJEK-OAHLLOKOSA-N 1 3 323.481 2.460 20 0 DEADHO Cc1cncnc1O[C@H]1CCC[N@@H+]([C@H]2CCCN(C)CC2)C1 ZINC001254531594 1143223861 /nfs/dbraw/zinc/22/38/61/1143223861.db2.gz HUTHRGTUGNVPQH-HOTGVXAUSA-N 1 3 304.438 2.113 20 0 DEADHO Cc1cncnc1O[C@H]1CCC[N@H+]([C@H]2CCCN(C)CC2)C1 ZINC001254531594 1143223873 /nfs/dbraw/zinc/22/38/73/1143223873.db2.gz HUTHRGTUGNVPQH-HOTGVXAUSA-N 1 3 304.438 2.113 20 0 DEADHO Cc1nccnc1O[C@@H]1CCC[N@@H+]([C@H]2CCCN(C)CC2)C1 ZINC001254532080 1143230635 /nfs/dbraw/zinc/23/06/35/1143230635.db2.gz OSVGPTNEEGCBBR-JKSUJKDBSA-N 1 3 304.438 2.113 20 0 DEADHO Cc1nccnc1O[C@@H]1CCC[N@H+]([C@H]2CCCN(C)CC2)C1 ZINC001254532080 1143230654 /nfs/dbraw/zinc/23/06/54/1143230654.db2.gz OSVGPTNEEGCBBR-JKSUJKDBSA-N 1 3 304.438 2.113 20 0 DEADHO CCN(CC)CC[C@H](C)[NH2+]C1CCN(C(=O)N2CCCC2)CC1 ZINC001255943896 1143816043 /nfs/dbraw/zinc/81/60/43/1143816043.db2.gz QSKNHYNFCFVMIW-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO CCOC(=O)N1CC[C@H]([NH2+][C@@H](CCN(C)C)c2ccccc2)C1 ZINC001256011984 1143820900 /nfs/dbraw/zinc/82/09/00/1143820900.db2.gz VIFOVLVUBDRVAD-IRXDYDNUSA-N 1 3 319.449 2.500 20 0 DEADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC001342555941 1143823636 /nfs/dbraw/zinc/82/36/36/1143823636.db2.gz VOEPCZZZYNUIPX-KBPBESRZSA-N 1 3 324.856 2.034 20 0 DEADHO CC1CCN(CCC[NH2+]C2CCN(c3ncccn3)CC2)CC1 ZINC001256045642 1143824714 /nfs/dbraw/zinc/82/47/14/1143824714.db2.gz RJUMWMUTVIHIOJ-UHFFFAOYSA-N 1 3 317.481 2.157 20 0 DEADHO C(O[C@@H]1CO[C@]2(CCN(C3CC[NH+](C4CC4)CC3)C2)C1)C1CC1 ZINC001256077014 1143827718 /nfs/dbraw/zinc/82/77/18/1143827718.db2.gz KMHDFLBLGIFIRN-RBUKOAKNSA-N 1 3 320.477 2.273 20 0 DEADHO CC(C)(C)[NH+]1CCC(N[C@H]2CCCN(c3ncccn3)C2)CC1 ZINC001256565894 1143854355 /nfs/dbraw/zinc/85/43/55/1143854355.db2.gz BUHIAFWUSGVQOX-INIZCTEOSA-N 1 3 317.481 2.298 20 0 DEADHO CC(C)(C)N1CCC([NH2+][C@H]2CCCN(c3ncccn3)C2)CC1 ZINC001256565894 1143854357 /nfs/dbraw/zinc/85/43/57/1143854357.db2.gz BUHIAFWUSGVQOX-INIZCTEOSA-N 1 3 317.481 2.298 20 0 DEADHO COCCCCN1CCN(C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001256577366 1143854965 /nfs/dbraw/zinc/85/49/65/1143854965.db2.gz JOXWGGRPBYFKCP-UHFFFAOYSA-N 1 3 311.514 2.294 20 0 DEADHO Fc1ccc2c(c1)[C@@H]([NH2+]C1CCC(N3CCOCC3)CC1)CO2 ZINC001256685251 1143862044 /nfs/dbraw/zinc/86/20/44/1143862044.db2.gz ANLPDIWWVJJIAK-DQPZFDDXSA-N 1 3 320.408 2.492 20 0 DEADHO [NH3+]C[C@@H]1CN(C2CCC(N3CCOCC3)CC2)c2ccccc21 ZINC001256683669 1143862123 /nfs/dbraw/zinc/86/21/23/1143862123.db2.gz GALSMLFAJLPXQL-KLAILNCOSA-N 1 3 315.461 2.192 20 0 DEADHO C[N@H+](Cc1cccc(O)c1)C1CCC(N2CCOCC2)CC1 ZINC001256689580 1143862526 /nfs/dbraw/zinc/86/25/26/1143862526.db2.gz XMJRUWUMOGJQDL-UHFFFAOYSA-N 1 3 304.434 2.467 20 0 DEADHO C[N@@H+](Cc1cccc(O)c1)C1CCC(N2CCOCC2)CC1 ZINC001256689580 1143862528 /nfs/dbraw/zinc/86/25/28/1143862528.db2.gz XMJRUWUMOGJQDL-UHFFFAOYSA-N 1 3 304.434 2.467 20 0 DEADHO CCC[N@H+](CCCN(C)C)C1CCC(N2CCOCC2)CC1 ZINC001256697071 1143863132 /nfs/dbraw/zinc/86/31/32/1143863132.db2.gz STTZIJDLURABIA-UHFFFAOYSA-N 1 3 311.514 2.294 20 0 DEADHO CCC[N@@H+](CCCN(C)C)C1CCC(N2CCOCC2)CC1 ZINC001256697071 1143863135 /nfs/dbraw/zinc/86/31/35/1143863135.db2.gz STTZIJDLURABIA-UHFFFAOYSA-N 1 3 311.514 2.294 20 0 DEADHO Cc1cc(N2CC[C@@H]([NH2+]C3CCN(CC(C)C)CC3)C2)ncn1 ZINC001258008149 1143964975 /nfs/dbraw/zinc/96/49/75/1143964975.db2.gz HIZFKYGZBRIBPH-QGZVFWFLSA-N 1 3 317.481 2.074 20 0 DEADHO CCOC(=O)CCC[C@@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC001258117719 1143973481 /nfs/dbraw/zinc/97/34/81/1143973481.db2.gz NVEXGBBAKRNXCE-OAHLLOKOSA-N 1 3 305.422 2.326 20 0 DEADHO C[C@H](Cc1cccnc1)N[C@@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001258617563 1144026012 /nfs/dbraw/zinc/02/60/12/1144026012.db2.gz SMCQLGOGPYNSBB-UKRRQHHQSA-N 1 3 322.453 2.192 20 0 DEADHO CC1([NH3+])CCN(C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC001258638078 1144029644 /nfs/dbraw/zinc/02/96/44/1144029644.db2.gz SCRWHLIWYZSPJF-UHFFFAOYSA-N 1 3 301.434 2.104 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC001261500569 1144252485 /nfs/dbraw/zinc/25/24/85/1144252485.db2.gz XBWPYGGKDRPLBC-UONOGXRCSA-N 1 3 324.856 2.034 20 0 DEADHO CC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC001261500569 1144252489 /nfs/dbraw/zinc/25/24/89/1144252489.db2.gz XBWPYGGKDRPLBC-UONOGXRCSA-N 1 3 324.856 2.034 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1)N(C)C ZINC001264437025 1144540202 /nfs/dbraw/zinc/54/02/02/1144540202.db2.gz OUHVVYFOZGDPMF-BRWVUGGUSA-N 1 3 307.482 2.311 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CCCF ZINC001265094305 1144642171 /nfs/dbraw/zinc/64/21/71/1144642171.db2.gz CZZUTGCKSWGCFA-GJZGRUSLSA-N 1 3 301.450 2.045 20 0 DEADHO CC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001265459604 1144705203 /nfs/dbraw/zinc/70/52/03/1144705203.db2.gz GGXBBSXXTICUMV-JEZUCGJFSA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCC2)C1)N(C)C ZINC001265483245 1144706481 /nfs/dbraw/zinc/70/64/81/1144706481.db2.gz PKWINFCYCOCLLJ-ULQDDVLXSA-N 1 3 309.498 2.390 20 0 DEADHO C[N@@H+]1C[C@@]23CN(C[C@@H](O)Cc4ccccc4)C[C@]2(C1)CCCC3 ZINC001364561310 1145343703 /nfs/dbraw/zinc/34/37/03/1145343703.db2.gz YOXCIGCLACZYOQ-SLFFLAALSA-N 1 3 314.473 2.398 20 0 DEADHO C[N@H+]1C[C@@]23CN(C[C@@H](O)Cc4ccccc4)C[C@]2(C1)CCCC3 ZINC001364561310 1145343707 /nfs/dbraw/zinc/34/37/07/1145343707.db2.gz YOXCIGCLACZYOQ-SLFFLAALSA-N 1 3 314.473 2.398 20 0 DEADHO CC(C)(C)N1CCC([NH2+]CCc2cccc(C(N)=O)c2)CC1 ZINC001364663087 1145426157 /nfs/dbraw/zinc/42/61/57/1145426157.db2.gz GQQHSCCYWVRAPI-UHFFFAOYSA-N 1 3 303.450 2.181 20 0 DEADHO C[NH+](C)[C@H]1C[C@@H](CNCc2nc(Br)cs2)C1 ZINC001364697303 1145478567 /nfs/dbraw/zinc/47/85/67/1145478567.db2.gz YWBMVIYXQIFQPK-DTORHVGOSA-N 1 3 304.257 2.335 20 0 DEADHO CCN1CCC[C@H]([NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)C1 ZINC001364696903 1145478629 /nfs/dbraw/zinc/47/86/29/1145478629.db2.gz GDGUGGCUTVANLP-QYZOEREBSA-N 1 3 301.478 2.406 20 0 DEADHO CC[C@H](C(=O)N(C)[C@@H](C[NH2+]CCC(F)(F)F)C1CC1)N(C)C ZINC001283505690 1145483003 /nfs/dbraw/zinc/48/30/03/1145483003.db2.gz ARHYTBWQXLIWGI-OLZOCXBDSA-N 1 3 323.403 2.106 20 0 DEADHO CN1C[C@@H]2CC[C@@H]([NH2+]C3CC(CNC(=O)OC(C)(C)C)C3)[C@H]2C1 ZINC001364736058 1145525242 /nfs/dbraw/zinc/52/52/42/1145525242.db2.gz XUJNXNPQFLJHBP-YLZDHBLKSA-N 1 3 323.481 2.220 20 0 DEADHO CN1C[C@@H]2CC[C@@H]([NH2+]C3CCN(c4nccs4)CC3)[C@@H]2C1 ZINC001364930704 1145689246 /nfs/dbraw/zinc/68/92/46/1145689246.db2.gz IZVQSEOWGVCLCW-NWANDNLSSA-N 1 3 306.479 2.042 20 0 DEADHO COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]CC[C@H](C)N3CCCCC3)[C@@H]2C1 ZINC001364952350 1145708221 /nfs/dbraw/zinc/70/82/21/1145708221.db2.gz BYFJYJTUSHSBRY-UTSKFRMZSA-N 1 3 308.466 2.428 20 0 DEADHO CN(C)CC[NH+](CCN(C)C)CC1C2CC3CC(C2)CC1C3 ZINC001364959002 1145711958 /nfs/dbraw/zinc/71/19/58/1145711958.db2.gz FCLZWMJYNRUDFH-UHFFFAOYSA-N 1 3 307.526 2.484 20 0 DEADHO CCCCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC001284292448 1145831504 /nfs/dbraw/zinc/83/15/04/1145831504.db2.gz SQHNXOUMDHJZBI-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccc(C)cc1)C1CC1)N(C)C ZINC001366058838 1147033102 /nfs/dbraw/zinc/03/31/02/1147033102.db2.gz QMCPZLDIWMWNDV-ROUUACIJSA-N 1 3 317.477 2.320 20 0 DEADHO CC(C)C[C@H](C)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001366092292 1147049946 /nfs/dbraw/zinc/04/99/46/1147049946.db2.gz JUHFUBXGVXHBJM-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001366170166 1147090793 /nfs/dbraw/zinc/09/07/93/1147090793.db2.gz QQPQJBXUBCGEGF-ZACQAIPSSA-N 1 3 321.440 2.347 20 0 DEADHO CC[C@@H](C(=O)NC1CCC([NH2+]CCC(F)(F)F)CC1)N(C)C ZINC001366239620 1147148198 /nfs/dbraw/zinc/14/81/98/1147148198.db2.gz BTULRNBXAAISIO-BPCQOVAHSA-N 1 3 323.403 2.296 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)Cc1ccc(C)cc1 ZINC001492268464 1147193815 /nfs/dbraw/zinc/19/38/15/1147193815.db2.gz PCRNTNTXJNSTPN-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(C)Cc1ccc(C)cc1 ZINC001492268464 1147193819 /nfs/dbraw/zinc/19/38/19/1147193819.db2.gz PCRNTNTXJNSTPN-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO CN(Cc1ccc(F)cc1)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001366433346 1147272794 /nfs/dbraw/zinc/27/27/94/1147272794.db2.gz BBGLHOKBUDQVBI-QGZVFWFLSA-N 1 3 321.440 2.200 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1)N(C)C ZINC001366707373 1147499845 /nfs/dbraw/zinc/49/98/45/1147499845.db2.gz ZMKQGGLDUIFRQJ-ZWKOTPCHSA-N 1 3 317.477 2.273 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(C)c2)C1)N(C)C ZINC001366707373 1147499853 /nfs/dbraw/zinc/49/98/53/1147499853.db2.gz ZMKQGGLDUIFRQJ-ZWKOTPCHSA-N 1 3 317.477 2.273 20 0 DEADHO CC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001316757707 1147594719 /nfs/dbraw/zinc/59/47/19/1147594719.db2.gz XYTXOSOZCISDKU-WNEUIUNWSA-N 1 3 316.449 2.089 20 0 DEADHO CC/C=C/CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001316757707 1147594720 /nfs/dbraw/zinc/59/47/20/1147594720.db2.gz XYTXOSOZCISDKU-WNEUIUNWSA-N 1 3 316.449 2.089 20 0 DEADHO C[N@H+](CCC(C)(C)C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001366868932 1147599940 /nfs/dbraw/zinc/59/99/40/1147599940.db2.gz WCKXPIXGBGACOG-CQSZACIVSA-N 1 3 306.454 2.169 20 0 DEADHO C[N@@H+](CCC(C)(C)C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001366868932 1147599944 /nfs/dbraw/zinc/59/99/44/1147599944.db2.gz WCKXPIXGBGACOG-CQSZACIVSA-N 1 3 306.454 2.169 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1C[NH+](CC2CC(C)(C)C2)C1 ZINC001366990792 1147629371 /nfs/dbraw/zinc/62/93/71/1147629371.db2.gz WVHVWBVXPDIJDA-HUUCEWRRSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001367024240 1147634762 /nfs/dbraw/zinc/63/47/62/1147634762.db2.gz CTOZQJUCXDNHFN-IAGOWNOFSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001367024240 1147634763 /nfs/dbraw/zinc/63/47/63/1147634763.db2.gz CTOZQJUCXDNHFN-IAGOWNOFSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccccc1C ZINC001367146835 1147656513 /nfs/dbraw/zinc/65/65/13/1147656513.db2.gz AZPWPANCAOWOCR-QGZVFWFLSA-N 1 3 305.466 2.320 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccns2)CC1)N(C)C ZINC001367196272 1147662879 /nfs/dbraw/zinc/66/28/79/1147662879.db2.gz DUIVAKGTSTZZHJ-YDHLFZDLSA-N 1 3 324.494 2.000 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+]CC1CCC(C)CC1 ZINC001367288559 1147674395 /nfs/dbraw/zinc/67/43/95/1147674395.db2.gz NDDLQCYUILNIHY-BBBYJDLNSA-N 1 3 320.481 2.429 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@H]1CCc2ccccc21 ZINC001367707528 1147730481 /nfs/dbraw/zinc/73/04/81/1147730481.db2.gz HWLGJOCTDCMAHB-PBHICJAKSA-N 1 3 303.450 2.110 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]Cc2ccc(C)cc2)CC1)N(C)C ZINC001368025614 1147834259 /nfs/dbraw/zinc/83/42/59/1147834259.db2.gz AAPLYCHQSJVMAP-MRXNPFEDSA-N 1 3 303.450 2.074 20 0 DEADHO Cc1ccc(CN2CC[C@@](C)(NC(=O)CC[NH+](C)C)C2)cc1 ZINC001368163311 1148294448 /nfs/dbraw/zinc/29/44/48/1148294448.db2.gz RMSMFKSLLOUSJM-GOSISDBHSA-N 1 3 303.450 2.027 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@](C)(C[NH2+]CC3CCCC3)C2)C1 ZINC001368201992 1148322109 /nfs/dbraw/zinc/32/21/09/1148322109.db2.gz ZVPSBJRPWRBARE-QFBILLFUSA-N 1 3 321.509 2.347 20 0 DEADHO C[NH+](C)Cc1ccc(CNC(=O)[C@@H](CN)c2ccccc2)cc1 ZINC000423730090 230540906 /nfs/dbraw/zinc/54/09/06/230540906.db2.gz NFKVOSKZVCFZKC-SFHVURJKSA-N 1 3 311.429 2.107 20 0 DEADHO C[C@@H](C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000174320289 282192686 /nfs/dbraw/zinc/19/26/86/282192686.db2.gz UNKJPJLTJQULNJ-VVLHAWIVSA-N 1 3 307.482 2.192 20 0 DEADHO CCc1nc(CN2CCC(C[NH2+][C@@H](C)C3CNC3)CC2)cs1 ZINC000422907716 529735791 /nfs/dbraw/zinc/73/57/91/529735791.db2.gz CEGVTGJSJLQVGF-ZDUSSCGKSA-N 1 3 322.522 2.115 20 0 DEADHO CN(CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC000299267876 529916644 /nfs/dbraw/zinc/91/66/44/529916644.db2.gz HDNZEJAYNDMGJF-UHFFFAOYSA-N 1 3 315.461 2.497 20 0 DEADHO C[N@H+](CCNC(=O)NCCN1CCCC(C)(C)C1)C1CCCC1 ZINC000445029094 529914255 /nfs/dbraw/zinc/91/42/55/529914255.db2.gz CEQXJQKBNYAGSG-UHFFFAOYSA-N 1 3 324.513 2.282 20 0 DEADHO C[N@@H+](CCNC(=O)NCCN1CCCC(C)(C)C1)C1CCCC1 ZINC000445029094 529914257 /nfs/dbraw/zinc/91/42/57/529914257.db2.gz CEQXJQKBNYAGSG-UHFFFAOYSA-N 1 3 324.513 2.282 20 0 DEADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448259788 529965555 /nfs/dbraw/zinc/96/55/55/529965555.db2.gz GWFSNDOPUMAXOC-HOTGVXAUSA-N 1 3 324.513 2.090 20 0 DEADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448259788 529965557 /nfs/dbraw/zinc/96/55/57/529965557.db2.gz GWFSNDOPUMAXOC-HOTGVXAUSA-N 1 3 324.513 2.090 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NCCC1CC[NH+](C)CC1 ZINC000447963948 530048847 /nfs/dbraw/zinc/04/88/47/530048847.db2.gz PAXRNBKBSJUICY-INIZCTEOSA-N 1 3 324.513 2.138 20 0 DEADHO CN1CCN(CC2(C)CC[NH+](CCC3CCOCC3)CC2)CC1 ZINC000432842548 530071964 /nfs/dbraw/zinc/07/19/64/530071964.db2.gz ZZWBGODIOLGPLD-UHFFFAOYSA-N 1 3 323.525 2.153 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000154283054 539549625 /nfs/dbraw/zinc/54/96/25/539549625.db2.gz JZAOWZKOSOCCMB-GOSISDBHSA-N 1 3 305.441 2.430 20 0 DEADHO C[C@](O)(CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000333824195 282973140 /nfs/dbraw/zinc/97/31/40/282973140.db2.gz LHGSENVSWGDZMT-XDNAFOTISA-N 1 3 310.482 2.064 20 0 DEADHO O=S(=O)(CCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000166343118 539608737 /nfs/dbraw/zinc/60/87/37/539608737.db2.gz GDTYZBCXCPVYIY-HZPDHXFCSA-N 1 3 322.474 2.067 20 0 DEADHO O=S(=O)(CCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000166343118 539608743 /nfs/dbraw/zinc/60/87/43/539608743.db2.gz GDTYZBCXCPVYIY-HZPDHXFCSA-N 1 3 322.474 2.067 20 0 DEADHO CC1CC[NH+](Cc2ccc(CNC(=O)C(C)(C)N)cc2)CC1 ZINC000236712250 201977680 /nfs/dbraw/zinc/97/76/80/201977680.db2.gz LTQCZZPFIYIQJV-UHFFFAOYSA-N 1 3 303.450 2.272 20 0 DEADHO C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])CCN1Cc1ccccc1 ZINC000237564674 539747012 /nfs/dbraw/zinc/74/70/12/539747012.db2.gz DHOHLOQSLXYXJL-HPBDAGMYSA-N 1 3 315.461 2.283 20 0 DEADHO CCOC[C@@H]1CCN(CC[C@H](C)[N@@H+]2CC[C@H](COCC)C2)C1 ZINC000245705444 539757819 /nfs/dbraw/zinc/75/78/19/539757819.db2.gz WYLMZHZXGXUFJE-KSZLIROESA-N 1 3 312.498 2.482 20 0 DEADHO CCOC[C@@H]1CCN(CC[C@H](C)[N@H+]2CC[C@H](COCC)C2)C1 ZINC000245705444 539757823 /nfs/dbraw/zinc/75/78/23/539757823.db2.gz WYLMZHZXGXUFJE-KSZLIROESA-N 1 3 312.498 2.482 20 0 DEADHO CCOC[C@@H]1CC[N@@H+](CC[C@H](C)N2CC[C@H](COCC)C2)C1 ZINC000245705444 539757829 /nfs/dbraw/zinc/75/78/29/539757829.db2.gz WYLMZHZXGXUFJE-KSZLIROESA-N 1 3 312.498 2.482 20 0 DEADHO CCOC[C@@H]1CC[N@H+](CC[C@H](C)N2CC[C@H](COCC)C2)C1 ZINC000245705444 539757835 /nfs/dbraw/zinc/75/78/35/539757835.db2.gz WYLMZHZXGXUFJE-KSZLIROESA-N 1 3 312.498 2.482 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000246250751 539762887 /nfs/dbraw/zinc/76/28/87/539762887.db2.gz JUURXKNBLXRHDH-CWRNSKLLSA-N 1 3 321.490 2.204 20 0 DEADHO CN1CCC(O)(C[NH2+][C@@H]2CCSc3c(F)cccc32)CC1 ZINC000268993699 539796296 /nfs/dbraw/zinc/79/62/96/539796296.db2.gz NDNDYVZKJPFFIT-CQSZACIVSA-N 1 3 310.438 2.409 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCc1ccccc1C[NH+](C)C ZINC000264251146 186327317 /nfs/dbraw/zinc/32/73/17/186327317.db2.gz HAFHKYPBSNABKJ-QGZVFWFLSA-N 1 3 303.450 2.239 20 0 DEADHO C[C@H](NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[C@@H](c1ccccc1)N(C)C ZINC000418160256 299177426 /nfs/dbraw/zinc/17/74/26/299177426.db2.gz BEGQROYPPCBCJV-DIECFANBSA-N 1 3 318.465 2.104 20 0 DEADHO Cc1ccc([C@H](CNC(=O)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000172712956 198140567 /nfs/dbraw/zinc/14/05/67/198140567.db2.gz GREDPVPAMVYORL-KRWDZBQOSA-N 1 3 303.450 2.056 20 0 DEADHO OC[C@@H]1CCCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000305178001 539868602 /nfs/dbraw/zinc/86/86/02/539868602.db2.gz GUSVGUVSPYMYTQ-GOSISDBHSA-N 1 3 318.461 2.366 20 0 DEADHO COc1cccc(NC(=O)CCN(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000072637769 191207273 /nfs/dbraw/zinc/20/72/73/191207273.db2.gz WZGWLKZIHICAHQ-HNNXBMFYSA-N 1 3 319.449 2.297 20 0 DEADHO COc1cccc(NC(=O)CCN(C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000072637769 191207275 /nfs/dbraw/zinc/20/72/75/191207275.db2.gz WZGWLKZIHICAHQ-HNNXBMFYSA-N 1 3 319.449 2.297 20 0 DEADHO CC(C)C[C@@H](N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309695413 539878624 /nfs/dbraw/zinc/87/86/24/539878624.db2.gz DURVMCGEFGJTTN-QZTJIDSGSA-N 1 3 317.477 2.388 20 0 DEADHO CC(C)C[C@@H](N)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309695413 539878630 /nfs/dbraw/zinc/87/86/30/539878630.db2.gz DURVMCGEFGJTTN-QZTJIDSGSA-N 1 3 317.477 2.388 20 0 DEADHO CC(C)[NH+](CCNC(=O)c1cccc2c1CCNC2)C(C)C ZINC000317441491 539888662 /nfs/dbraw/zinc/88/86/62/539888662.db2.gz UJQDLDNXLBBEJH-UHFFFAOYSA-N 1 3 303.450 2.181 20 0 DEADHO CC(C)([NH3+])CCC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000323548102 539906525 /nfs/dbraw/zinc/90/65/25/539906525.db2.gz PYSBDLJRFZISIF-UHFFFAOYSA-N 1 3 303.450 2.238 20 0 DEADHO CC(C)CC(=O)N1CCC([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000339071109 539986487 /nfs/dbraw/zinc/98/64/87/539986487.db2.gz QEFXVCRVSSAUMU-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)CC(=O)N1CCC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339071109 539986490 /nfs/dbraw/zinc/98/64/90/539986490.db2.gz QEFXVCRVSSAUMU-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)CC(=O)N1CCC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339071109 539986493 /nfs/dbraw/zinc/98/64/93/539986493.db2.gz QEFXVCRVSSAUMU-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000174512840 198344782 /nfs/dbraw/zinc/34/47/82/198344782.db2.gz OTHCYYOXPSTKNF-INIZCTEOSA-N 1 3 303.450 2.162 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000174512840 198344784 /nfs/dbraw/zinc/34/47/84/198344784.db2.gz OTHCYYOXPSTKNF-INIZCTEOSA-N 1 3 303.450 2.162 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000332524911 235059226 /nfs/dbraw/zinc/05/92/26/235059226.db2.gz BORLJHJICGWFCS-SJORKVTESA-N 1 3 322.497 2.164 20 0 DEADHO C[C@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)N1CCCCCC1 ZINC000074249865 355016480 /nfs/dbraw/zinc/01/64/80/355016480.db2.gz KOXNFTUFOOVAGW-IAGOWNOFSA-N 1 3 307.482 2.338 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCCC[C@H]1C ZINC000353436286 540068967 /nfs/dbraw/zinc/06/89/67/540068967.db2.gz XRJSNCQMWZCIIX-TXCZRRACSA-N 1 3 307.482 2.001 20 0 DEADHO CC(C)N1CCCN(C(=O)NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000076075900 355123277 /nfs/dbraw/zinc/12/32/77/355123277.db2.gz UEJVWNZAGFPNFV-KRWDZBQOSA-N 1 3 324.513 2.234 20 0 DEADHO COc1cc(C[NH2+]CC2(O)CCN(C)CC2)ccc1OC(C)C ZINC000077450355 355206052 /nfs/dbraw/zinc/20/60/52/355206052.db2.gz SPFKFHHCXCVVJQ-UHFFFAOYSA-N 1 3 322.449 2.029 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000073677019 191340214 /nfs/dbraw/zinc/34/02/14/191340214.db2.gz SUDPLJJFYCSFBK-DLBZAZTESA-N 1 3 324.513 2.425 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000073677019 191340215 /nfs/dbraw/zinc/34/02/15/191340215.db2.gz SUDPLJJFYCSFBK-DLBZAZTESA-N 1 3 324.513 2.425 20 0 DEADHO CN(C)C[C@H](NC(=O)c1cccc2c1CC[NH2+]C2)c1ccccc1 ZINC000392431938 540137444 /nfs/dbraw/zinc/13/74/44/540137444.db2.gz XZSNQBWWLOXZSS-IBGZPJMESA-N 1 3 323.440 2.365 20 0 DEADHO CCN(CC)CC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000084365273 355477715 /nfs/dbraw/zinc/47/77/15/355477715.db2.gz QTRGTQGDRZFJRE-UHFFFAOYSA-N 1 3 317.477 2.451 20 0 DEADHO CC[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cnn(C)c1 ZINC000090525898 355563219 /nfs/dbraw/zinc/56/32/19/355563219.db2.gz QAQRUHMWJDMNRH-BZSNNMDCSA-N 1 3 320.481 2.229 20 0 DEADHO C[C@H](CCNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)[NH+]1CCCCC1 ZINC000181941862 356101948 /nfs/dbraw/zinc/10/19/48/356101948.db2.gz QIESSLLKBSOZQE-OAGGEKHMSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000237660797 356299195 /nfs/dbraw/zinc/29/91/95/356299195.db2.gz KSOMPHRNCPHSLI-WBVHZDCISA-N 1 3 303.450 2.457 20 0 DEADHO CC(C)[C@H](C(=O)Nc1cccc(OCCN(C)C)c1)[C@@H](C)[NH3+] ZINC000399631355 283153712 /nfs/dbraw/zinc/15/37/12/283153712.db2.gz GHYZTMPAMRQYBR-CJNGLKHVSA-N 1 3 307.438 2.185 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000317320995 356433318 /nfs/dbraw/zinc/43/33/18/356433318.db2.gz WBEXOGBPGCLWEU-ZDUSSCGKSA-N 1 3 305.422 2.085 20 0 DEADHO COC(=O)COc1ccccc1[C@H](C)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423268450 291099587 /nfs/dbraw/zinc/09/95/87/291099587.db2.gz DVDJVJXDOYSJMM-SQWLQELKSA-N 1 3 320.433 2.407 20 0 DEADHO CCC[C@H](N)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000236842674 202033954 /nfs/dbraw/zinc/03/39/54/202033954.db2.gz IMKLYKNXKMRTTI-PBHICJAKSA-N 1 3 303.450 2.456 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCCN(C(C)C)CC1 ZINC000360785642 283182132 /nfs/dbraw/zinc/18/21/32/283182132.db2.gz IGHNAYVQSCQJBY-INIZCTEOSA-N 1 3 312.502 2.233 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCCN(C(C)C)CC1 ZINC000360785642 283182135 /nfs/dbraw/zinc/18/21/35/283182135.db2.gz IGHNAYVQSCQJBY-INIZCTEOSA-N 1 3 312.502 2.233 20 0 DEADHO CC(C)CN(C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCN(C)CC1 ZINC000423770115 283199046 /nfs/dbraw/zinc/19/90/46/283199046.db2.gz ZIIUJVRKPVGKCS-ALOPSCKCSA-N 1 3 321.509 2.486 20 0 DEADHO CN(C)Cc1ccccc1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237039258 202132112 /nfs/dbraw/zinc/13/21/12/202132112.db2.gz QKNPJBCZGYFFOJ-WBAXXEDZSA-N 1 3 315.461 2.285 20 0 DEADHO COc1ccccc1-n1nccc1CNCC1CC[NH+](C)CC1 ZINC000430017466 283224147 /nfs/dbraw/zinc/22/41/47/283224147.db2.gz JIKZIEWBTKHBMW-UHFFFAOYSA-N 1 3 314.433 2.312 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000581640169 357219207 /nfs/dbraw/zinc/21/92/07/357219207.db2.gz DAPAVMPWOOGCGG-ILXRZTDVSA-N 1 3 310.486 2.031 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000581640169 357219211 /nfs/dbraw/zinc/21/92/11/357219211.db2.gz DAPAVMPWOOGCGG-ILXRZTDVSA-N 1 3 310.486 2.031 20 0 DEADHO CC(C)Oc1ccc(CCNC[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000581661848 357225470 /nfs/dbraw/zinc/22/54/70/357225470.db2.gz FKOILZZVGGNXRW-KRWDZBQOSA-N 1 3 306.450 2.061 20 0 DEADHO CC(C)Oc1ccc(CCNC[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000581661848 357225475 /nfs/dbraw/zinc/22/54/75/357225475.db2.gz FKOILZZVGGNXRW-KRWDZBQOSA-N 1 3 306.450 2.061 20 0 DEADHO C[C@H]1CCC[N@H+](CCNCCC(=O)Nc2ccccc2F)C1 ZINC000585811811 357361140 /nfs/dbraw/zinc/36/11/40/357361140.db2.gz GKISLRZYRVPSLM-AWEZNQCLSA-N 1 3 307.413 2.476 20 0 DEADHO C[C@H]1CCC[N@@H+](CCNCCC(=O)Nc2ccccc2F)C1 ZINC000585811811 357361146 /nfs/dbraw/zinc/36/11/46/357361146.db2.gz GKISLRZYRVPSLM-AWEZNQCLSA-N 1 3 307.413 2.476 20 0 DEADHO CCN1CCN(CCCC[NH2+]Cc2[nH]nc3ccccc32)CC1 ZINC000589640786 357486328 /nfs/dbraw/zinc/48/63/28/357486328.db2.gz QVSDDPJQOLHDLN-UHFFFAOYSA-N 1 3 315.465 2.070 20 0 DEADHO CCCN(C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)C1CC[NH2+]CC1 ZINC000655974251 540297792 /nfs/dbraw/zinc/29/77/92/540297792.db2.gz OHDSAJZSURBQNG-SJORKVTESA-N 1 3 322.497 2.177 20 0 DEADHO C[C@H]1CN(CCOCC2CCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000459366638 283299532 /nfs/dbraw/zinc/29/95/32/283299532.db2.gz CWOITZUNOOEDQS-HKUYNNGSSA-N 1 3 323.525 2.151 20 0 DEADHO C[C@H]1CN(CCOCC2CCCC2)CC[N@@H+]1C1CCN(C)CC1 ZINC000459367544 283300134 /nfs/dbraw/zinc/30/01/34/283300134.db2.gz FQJICLJZYMZCEZ-KRWDZBQOSA-N 1 3 323.525 2.294 20 0 DEADHO C[C@H]1CN(CCOCC2CCCC2)CC[N@H+]1C1CCN(C)CC1 ZINC000459367544 283300138 /nfs/dbraw/zinc/30/01/38/283300138.db2.gz FQJICLJZYMZCEZ-KRWDZBQOSA-N 1 3 323.525 2.294 20 0 DEADHO CC(C)(C)N1CC[C@H]1CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000661396140 540318129 /nfs/dbraw/zinc/31/81/29/540318129.db2.gz BEOZVTKVPXXOKK-HOTGVXAUSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000662686436 540332939 /nfs/dbraw/zinc/33/29/39/540332939.db2.gz NDLFZORBDKAAOW-JZXOWHBKSA-N 1 3 317.433 2.194 20 0 DEADHO C[C@H](NC1CC1)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000449122931 299268676 /nfs/dbraw/zinc/26/86/76/299268676.db2.gz BBIIGFTZDLKBDC-HRCADAONSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H](NC1CC1)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000449122931 299268680 /nfs/dbraw/zinc/26/86/80/299268680.db2.gz BBIIGFTZDLKBDC-HRCADAONSA-N 1 3 307.482 2.240 20 0 DEADHO CCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC000666924715 540363893 /nfs/dbraw/zinc/36/38/93/540363893.db2.gz KRGWIEZIIRSYAO-MRXNPFEDSA-N 1 3 322.497 2.131 20 0 DEADHO CCC[N@H+]1CC[C@@H](NC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC000666924715 540363897 /nfs/dbraw/zinc/36/38/97/540363897.db2.gz KRGWIEZIIRSYAO-MRXNPFEDSA-N 1 3 322.497 2.131 20 0 DEADHO CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@@]3(C)CC[NH2+]C3)C[C@@H]2C1 ZINC000496083185 283360842 /nfs/dbraw/zinc/36/08/42/283360842.db2.gz HBVNIVGKAFKVDR-RKVPGOIHSA-N 1 3 323.481 2.175 20 0 DEADHO COC(=O)c1cc(CN2CC3(C[C@H]2C)CC[NH2+]CC3)cs1 ZINC000595893256 358574101 /nfs/dbraw/zinc/57/41/01/358574101.db2.gz QBLPDVMRRWCYDI-GFCCVEGCSA-N 1 3 308.447 2.499 20 0 DEADHO COC(=O)c1ccc(CNCC[C@H]2CCC[N@H+](C)C2)cc1F ZINC000597151518 358836113 /nfs/dbraw/zinc/83/61/13/358836113.db2.gz NVEKMEMVCQABKX-CYBMUJFWSA-N 1 3 308.397 2.434 20 0 DEADHO COC(=O)c1ccc(CNCC[C@H]2CCC[N@@H+](C)C2)cc1F ZINC000597151518 358836118 /nfs/dbraw/zinc/83/61/18/358836118.db2.gz NVEKMEMVCQABKX-CYBMUJFWSA-N 1 3 308.397 2.434 20 0 DEADHO CN(CCCC[NH+](C)C)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000667835835 540536350 /nfs/dbraw/zinc/53/63/50/540536350.db2.gz UOSQJDGTTJIGLB-UHFFFAOYSA-N 1 3 322.428 2.277 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCC1(C)C ZINC000667811011 540532319 /nfs/dbraw/zinc/53/23/19/540532319.db2.gz ACGRZXRHHMGFBV-HZPDHXFCSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCC1(C)C ZINC000667811011 540532324 /nfs/dbraw/zinc/53/23/24/540532324.db2.gz ACGRZXRHHMGFBV-HZPDHXFCSA-N 1 3 309.498 2.297 20 0 DEADHO c1cc(N2CCC(C[NH2+][C@H]3CO[C@H](C4CC4)C3)CC2)ccn1 ZINC000667923507 540550453 /nfs/dbraw/zinc/55/04/53/540550453.db2.gz OLVOWUXPSYTJQR-AEFFLSMTSA-N 1 3 301.434 2.455 20 0 DEADHO CCOC(=O)N1CCC[C@@H]([C@@H](C)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000497271306 283459872 /nfs/dbraw/zinc/45/98/72/283459872.db2.gz IZUPBXOADPROLY-YFVFXCHESA-N 1 3 309.454 2.116 20 0 DEADHO [NH3+]C1(C(=O)NC2CCN(Cc3ccccc3)CC2)CCCCC1 ZINC000237907717 202387733 /nfs/dbraw/zinc/38/77/33/202387733.db2.gz GVNOVMDSDVPKMK-UHFFFAOYSA-N 1 3 315.461 2.429 20 0 DEADHO CCN(C)C(=O)[C@H](C)N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000189397931 200394206 /nfs/dbraw/zinc/39/42/06/200394206.db2.gz YDCSQVFFNKKTNA-GJZGRUSLSA-N 1 3 321.465 2.144 20 0 DEADHO C[NH+]1CCC(N2CC[C@@H](Nc3ncnc4sccc43)C2)CC1 ZINC000602614170 360457315 /nfs/dbraw/zinc/45/73/15/360457315.db2.gz YYLRMSMVMJCZRZ-GFCCVEGCSA-N 1 3 317.462 2.272 20 0 DEADHO COCCCCCN1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441045919 238002058 /nfs/dbraw/zinc/00/20/58/238002058.db2.gz CEHVVACUFPOZRJ-UHFFFAOYSA-N 1 3 311.514 2.294 20 0 DEADHO N[C@H](CC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000669519655 540850657 /nfs/dbraw/zinc/85/06/57/540850657.db2.gz LVLBJYDQBURHGR-RCCFBDPRSA-N 1 3 315.461 2.315 20 0 DEADHO CC(C)(C(=O)N1CCC2(CC[NH2+]C2)CC1)[C@H](N)c1ccccc1 ZINC000669519682 540850873 /nfs/dbraw/zinc/85/08/73/540850873.db2.gz NWJOCKXNKVIEPE-MRXNPFEDSA-N 1 3 315.461 2.315 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H]1CCCC[NH2+]1)c1ccco1 ZINC000669584153 540869336 /nfs/dbraw/zinc/86/93/36/540869336.db2.gz SMLSZFWUTJTPOO-RRFJBIMHSA-N 1 3 322.453 2.150 20 0 DEADHO CC(C)Cc1ccc([C@@H](CNC(=O)NC[C@H](C)[NH3+])N(C)C)cc1 ZINC000669586957 540869712 /nfs/dbraw/zinc/86/97/12/540869712.db2.gz BPKDHFWNTDOYSB-WMLDXEAASA-N 1 3 320.481 2.134 20 0 DEADHO CN(CCCN(C)C(=O)[C@H]1CCCCN1C)Cc1ccco1 ZINC000672351745 541041828 /nfs/dbraw/zinc/04/18/28/541041828.db2.gz WEEHASXIYYTRMC-MRXNPFEDSA-N 1 3 307.438 2.044 20 0 DEADHO CN(CCC[N@H+](C)Cc1ccco1)C(=O)[C@H]1CCCCN1C ZINC000672351745 541041831 /nfs/dbraw/zinc/04/18/31/541041831.db2.gz WEEHASXIYYTRMC-MRXNPFEDSA-N 1 3 307.438 2.044 20 0 DEADHO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)[C@H]1CCCCN1C ZINC000672351745 541041833 /nfs/dbraw/zinc/04/18/33/541041833.db2.gz WEEHASXIYYTRMC-MRXNPFEDSA-N 1 3 307.438 2.044 20 0 DEADHO CN(CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C)Cc1ccco1 ZINC000672351745 541041835 /nfs/dbraw/zinc/04/18/35/541041835.db2.gz WEEHASXIYYTRMC-MRXNPFEDSA-N 1 3 307.438 2.044 20 0 DEADHO CN(CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C)Cc1ccco1 ZINC000672351745 541041838 /nfs/dbraw/zinc/04/18/38/541041838.db2.gz WEEHASXIYYTRMC-MRXNPFEDSA-N 1 3 307.438 2.044 20 0 DEADHO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1oc2ccccc2c1CN(C)C ZINC000193567813 201076952 /nfs/dbraw/zinc/07/69/52/201076952.db2.gz SZJJKBMBLTXBBP-IUODEOHRSA-N 1 3 315.417 2.365 20 0 DEADHO CCO[C@H](CC[NH+](C)C)CNCc1cnc2ccccc2n1 ZINC000628233930 366776361 /nfs/dbraw/zinc/77/63/61/366776361.db2.gz CCGZMIUEFDRNPU-OAHLLOKOSA-N 1 3 302.422 2.076 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000672942617 541076598 /nfs/dbraw/zinc/07/65/98/541076598.db2.gz JOSQKEBDASQBTO-GVDBMIGSSA-N 1 3 322.497 2.129 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000672942686 541076792 /nfs/dbraw/zinc/07/67/92/541076792.db2.gz LHLCJEYUWBXUOE-GVDBMIGSSA-N 1 3 322.497 2.129 20 0 DEADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000675185964 541297650 /nfs/dbraw/zinc/29/76/50/541297650.db2.gz ZOWZOYJRIUWLEB-IAGOWNOFSA-N 1 3 324.513 2.280 20 0 DEADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000675185969 541297771 /nfs/dbraw/zinc/29/77/71/541297771.db2.gz ZOWZOYJRIUWLEB-SJORKVTESA-N 1 3 324.513 2.280 20 0 DEADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1CCCCN1CC ZINC000675187937 541298228 /nfs/dbraw/zinc/29/82/28/541298228.db2.gz GBLAEGZTJMZNNC-HOTGVXAUSA-N 1 3 310.486 2.034 20 0 DEADHO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000619900053 363897499 /nfs/dbraw/zinc/89/74/99/363897499.db2.gz RLDFCSZQSCMUHD-GOSISDBHSA-N 1 3 324.428 2.461 20 0 DEADHO CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000619900053 363897502 /nfs/dbraw/zinc/89/75/02/363897502.db2.gz RLDFCSZQSCMUHD-GOSISDBHSA-N 1 3 324.428 2.461 20 0 DEADHO CCCN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000619904558 363901816 /nfs/dbraw/zinc/90/18/16/363901816.db2.gz NRHNTVRWNGRLST-MSOLQXFVSA-N 1 3 315.461 2.109 20 0 DEADHO CCCN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000619904558 363901825 /nfs/dbraw/zinc/90/18/25/363901825.db2.gz NRHNTVRWNGRLST-MSOLQXFVSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@@H](NC(=O)N(C)C1CC[NH2+]CC1)[C@H](c1ccccc1)N(C)C ZINC000418182046 296053302 /nfs/dbraw/zinc/05/33/02/296053302.db2.gz LXFYVPMMCAXFRO-RHSMWYFYSA-N 1 3 318.465 2.071 20 0 DEADHO CC(C)[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CCN1 ZINC000621158617 364286769 /nfs/dbraw/zinc/28/67/69/364286769.db2.gz UBKAJYHWWILCPJ-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CCN1 ZINC000621158617 364286772 /nfs/dbraw/zinc/28/67/72/364286772.db2.gz UBKAJYHWWILCPJ-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]([NH2+]CC12CC(C1)CO2)c1cccc(OCCN(C)C)c1 ZINC000527981882 283771531 /nfs/dbraw/zinc/77/15/31/283771531.db2.gz SGVLWXSYHLSARR-KSTDHSDQSA-N 1 3 304.434 2.457 20 0 DEADHO C[C@H]1CC[N@H+](Cc2ccc(OCCN(C)C)cc2)C[C@H]1CO ZINC000621737613 364532161 /nfs/dbraw/zinc/53/21/61/364532161.db2.gz TWXCHZQWKUBGST-RDJZCZTQSA-N 1 3 306.450 2.077 20 0 DEADHO C[C@H]1CC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C[C@H]1CO ZINC000621737613 364532166 /nfs/dbraw/zinc/53/21/66/364532166.db2.gz TWXCHZQWKUBGST-RDJZCZTQSA-N 1 3 306.450 2.077 20 0 DEADHO C[C@H]([NH2+][C@@H]1CCCN(C)C1)c1ccc(OCCN(C)C)cc1 ZINC000675765657 541381320 /nfs/dbraw/zinc/38/13/20/541381320.db2.gz DNNQIJYSWPFZLK-DOTOQJQBSA-N 1 3 305.466 2.372 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CCC3(CC[NH2+]C3)CC2)c1 ZINC000623058013 364871215 /nfs/dbraw/zinc/87/12/15/364871215.db2.gz NNKYFHZMEOZLRI-UHFFFAOYSA-N 1 3 316.449 2.356 20 0 DEADHO C[C@@H]1CCN(C(=O)Nc2cccc(CN(C)C)c2)[C@H](C[NH3+])C1 ZINC000623073191 364876788 /nfs/dbraw/zinc/87/67/88/364876788.db2.gz NATNCHYNGICZHV-CJNGLKHVSA-N 1 3 304.438 2.339 20 0 DEADHO C[C@H](NC1CC1)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000449129244 240088781 /nfs/dbraw/zinc/08/87/81/240088781.db2.gz URMSVBQRNBEFFV-GJZGRUSLSA-N 1 3 315.461 2.469 20 0 DEADHO CCN(C)C(=O)CCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000676240491 541430408 /nfs/dbraw/zinc/43/04/08/541430408.db2.gz RUMPEKHCYHVEOO-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO C[C@H](NC[C@@H]1CCCC[N@H+](C)C1)c1cccc(-n2cnnn2)c1 ZINC000624119677 365295912 /nfs/dbraw/zinc/29/59/12/365295912.db2.gz GVTKGNNHVMYRSX-GJZGRUSLSA-N 1 3 314.437 2.045 20 0 DEADHO C[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1cccc(-n2cnnn2)c1 ZINC000624119677 365295915 /nfs/dbraw/zinc/29/59/15/365295915.db2.gz GVTKGNNHVMYRSX-GJZGRUSLSA-N 1 3 314.437 2.045 20 0 DEADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccc(-n2cnnn2)c1 ZINC000624119677 365295918 /nfs/dbraw/zinc/29/59/18/365295918.db2.gz GVTKGNNHVMYRSX-GJZGRUSLSA-N 1 3 314.437 2.045 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624377087 365401749 /nfs/dbraw/zinc/40/17/49/365401749.db2.gz KEUGNIVTYWPVRX-IRXDYDNUSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624377087 365401756 /nfs/dbraw/zinc/40/17/56/365401756.db2.gz KEUGNIVTYWPVRX-IRXDYDNUSA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)(C)c1ccccc1OCC[NH2+]C[C@H](O)CN1CCCC1 ZINC000629563771 367252599 /nfs/dbraw/zinc/25/25/99/367252599.db2.gz RBELBHJVGVKIDB-INIZCTEOSA-N 1 3 320.477 2.409 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)cc1 ZINC000677695823 541616987 /nfs/dbraw/zinc/61/69/87/541616987.db2.gz TXSFYLBBELGTAL-ZWKOTPCHSA-N 1 3 304.434 2.284 20 0 DEADHO C[C@H](CC(=O)N(C)C)[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000631665819 368332763 /nfs/dbraw/zinc/33/27/63/368332763.db2.gz BHWFFJBTKUGCLN-NUJGCVRESA-N 1 3 317.477 2.211 20 0 DEADHO C[C@H](CC(=O)N(C)C)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631665819 368332769 /nfs/dbraw/zinc/33/27/69/368332769.db2.gz BHWFFJBTKUGCLN-NUJGCVRESA-N 1 3 317.477 2.211 20 0 DEADHO C[C@H](CC(=O)N(C)C)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631665819 368332772 /nfs/dbraw/zinc/33/27/72/368332772.db2.gz BHWFFJBTKUGCLN-NUJGCVRESA-N 1 3 317.477 2.211 20 0 DEADHO C[C@H](CC(=O)N(C)C)[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000631665818 368333122 /nfs/dbraw/zinc/33/31/22/368333122.db2.gz BHWFFJBTKUGCLN-LZLYRXPVSA-N 1 3 317.477 2.211 20 0 DEADHO C[C@H](CC(=O)N(C)C)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631665818 368333126 /nfs/dbraw/zinc/33/31/26/368333126.db2.gz BHWFFJBTKUGCLN-LZLYRXPVSA-N 1 3 317.477 2.211 20 0 DEADHO C[C@H](CC(=O)N(C)C)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631665818 368333130 /nfs/dbraw/zinc/33/31/30/368333130.db2.gz BHWFFJBTKUGCLN-LZLYRXPVSA-N 1 3 317.477 2.211 20 0 DEADHO CCN(CC[C@H](C)[N@H+](CC)C[C@H]1CCOC1)C[C@@H]1CCOC1 ZINC000677887020 541643102 /nfs/dbraw/zinc/64/31/02/541643102.db2.gz YNEVTSVJBJFYAE-OKZBNKHCSA-N 1 3 312.498 2.482 20 0 DEADHO CCN(CC[C@H](C)[N@@H+](CC)C[C@H]1CCOC1)C[C@@H]1CCOC1 ZINC000677887020 541643105 /nfs/dbraw/zinc/64/31/05/541643105.db2.gz YNEVTSVJBJFYAE-OKZBNKHCSA-N 1 3 312.498 2.482 20 0 DEADHO CO[C@]1(C)C[C@@H]([NH2+]CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000451495670 243026478 /nfs/dbraw/zinc/02/64/78/243026478.db2.gz TWRBSZYMZRFLAO-SJLPKXTDSA-N 1 3 311.514 2.196 20 0 DEADHO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](n2cc(CN)nn2)C1 ZINC000631845757 368422646 /nfs/dbraw/zinc/42/26/46/368422646.db2.gz KFOJMRUCYFQUBR-HOTGVXAUSA-N 1 3 303.385 2.274 20 0 DEADHO CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H](n2cc(CN)nn2)C1 ZINC000631845757 368422652 /nfs/dbraw/zinc/42/26/52/368422652.db2.gz KFOJMRUCYFQUBR-HOTGVXAUSA-N 1 3 303.385 2.274 20 0 DEADHO CN(C(=O)C[NH2+]CC1CC1)C1CCN(Cc2ccccc2)CC1 ZINC000261550040 203074758 /nfs/dbraw/zinc/07/47/58/203074758.db2.gz PDVXMQZCTMIQQR-UHFFFAOYSA-N 1 3 315.461 2.109 20 0 DEADHO [NH3+]C[C@@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000261535155 203075375 /nfs/dbraw/zinc/07/53/75/203075375.db2.gz PIRSGVNSVOUSED-RBUKOAKNSA-N 1 3 323.440 2.120 20 0 DEADHO [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000261639471 203086270 /nfs/dbraw/zinc/08/62/70/203086270.db2.gz CLTGBNYEXIIQLW-FGTMMUONSA-N 1 3 315.461 2.142 20 0 DEADHO O=C(CC[C@H]1CC[NH2+]C1)NC[C@H](c1cccs1)N1CCCC1 ZINC000261820087 203125319 /nfs/dbraw/zinc/12/53/19/203125319.db2.gz HZVOYKTUNFPBJM-LSDHHAIUSA-N 1 3 321.490 2.391 20 0 DEADHO Cc1ccc([C@@H](C)NCCN2CCC([NH+](C)C)CC2)c(C)n1 ZINC000678429439 541727810 /nfs/dbraw/zinc/72/78/10/541727810.db2.gz WLTOPYVPXKEHGS-OAHLLOKOSA-N 1 3 304.482 2.375 20 0 DEADHO C[C@@H](C[NH3+])C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000262024099 203175469 /nfs/dbraw/zinc/17/54/69/203175469.db2.gz ASIPATCPRRSMCX-RDJZCZTQSA-N 1 3 303.450 2.171 20 0 DEADHO C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000262546824 203325571 /nfs/dbraw/zinc/32/55/71/203325571.db2.gz VNUNUVPNZXFMHY-STQMWFEESA-N 1 3 304.438 2.115 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](NCCc2cnc(C)cn2)[C@@H](C)C1 ZINC000453410864 245120845 /nfs/dbraw/zinc/12/08/45/245120845.db2.gz VLNYXPYXYILGBY-YJBOKZPZSA-N 1 3 320.481 2.054 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](NCCc2cnc(C)cn2)[C@@H](C)C1 ZINC000453410864 245120856 /nfs/dbraw/zinc/12/08/56/245120856.db2.gz VLNYXPYXYILGBY-YJBOKZPZSA-N 1 3 320.481 2.054 20 0 DEADHO CCN(CC)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000267495582 206104706 /nfs/dbraw/zinc/10/47/06/206104706.db2.gz XBNAKYVINWPKFD-AEFFLSMTSA-N 1 3 317.477 2.355 20 0 DEADHO CCN(CC)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000267495582 206104710 /nfs/dbraw/zinc/10/47/10/206104710.db2.gz XBNAKYVINWPKFD-AEFFLSMTSA-N 1 3 317.477 2.355 20 0 DEADHO C[NH+](C)CCOc1ccc(CN2CCC(C)(CO)CC2)cc1 ZINC000680830086 542052246 /nfs/dbraw/zinc/05/22/46/542052246.db2.gz HLGCROYFVXTSCO-UHFFFAOYSA-N 1 3 306.450 2.221 20 0 DEADHO CN(C)CCn1cc(NC(=O)CC[N@H+](C)C2CCCCC2)cn1 ZINC000681126797 542100963 /nfs/dbraw/zinc/10/09/63/542100963.db2.gz CUDIZIZDWYLWKM-UHFFFAOYSA-N 1 3 321.469 2.038 20 0 DEADHO CN(C)CCn1cc(NC(=O)CC[N@@H+](C)C2CCCCC2)cn1 ZINC000681126797 542100965 /nfs/dbraw/zinc/10/09/65/542100965.db2.gz CUDIZIZDWYLWKM-UHFFFAOYSA-N 1 3 321.469 2.038 20 0 DEADHO CC(C)N1CC[C@@H](N(C)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000458443619 248311469 /nfs/dbraw/zinc/31/14/69/248311469.db2.gz UBRHFUGNPZIAMD-DOTOQJQBSA-N 1 3 322.497 2.127 20 0 DEADHO CC(C)N1CC[C@@H](N(C)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000458443619 248311473 /nfs/dbraw/zinc/31/14/73/248311473.db2.gz UBRHFUGNPZIAMD-DOTOQJQBSA-N 1 3 322.497 2.127 20 0 DEADHO CC(C)N1CC[C@H](N(C)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000458327563 248264241 /nfs/dbraw/zinc/26/42/41/248264241.db2.gz JYYRXKMBCLQIDD-SJORKVTESA-N 1 3 324.513 2.231 20 0 DEADHO CC(C)N1CC[C@H](N(C)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000458327563 248264245 /nfs/dbraw/zinc/26/42/45/248264245.db2.gz JYYRXKMBCLQIDD-SJORKVTESA-N 1 3 324.513 2.231 20 0 DEADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)/C=C\C[NH+](C)C ZINC000492226552 249019809 /nfs/dbraw/zinc/01/98/09/249019809.db2.gz OTDNXWRORKWESJ-XFXZXTDPSA-N 1 3 303.450 2.131 20 0 DEADHO C[C@@H](CNC(=O)N1CCN(CCC(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC000105262852 194089539 /nfs/dbraw/zinc/08/95/39/194089539.db2.gz FDSOAUXFEDOCRI-HNNXBMFYSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](CNC(=O)N1CCN(CCC(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC000105262852 194089541 /nfs/dbraw/zinc/08/95/41/194089541.db2.gz FDSOAUXFEDOCRI-HNNXBMFYSA-N 1 3 324.513 2.233 20 0 DEADHO Cc1nccn1CC[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000268839946 207004997 /nfs/dbraw/zinc/00/49/97/207004997.db2.gz VLJUYHHSMULHDC-UHFFFAOYSA-N 1 3 312.461 2.488 20 0 DEADHO COCCCOc1cccc(CNCC2=CC[N@H+](C)CC2)c1 ZINC000271933774 209334662 /nfs/dbraw/zinc/33/46/62/209334662.db2.gz XIJUXUXGXGTVRX-UHFFFAOYSA-N 1 3 304.434 2.453 20 0 DEADHO COCCCOc1cccc(CNCC2=CC[N@@H+](C)CC2)c1 ZINC000271933774 209334666 /nfs/dbraw/zinc/33/46/66/209334666.db2.gz XIJUXUXGXGTVRX-UHFFFAOYSA-N 1 3 304.434 2.453 20 0 DEADHO Cc1ccccc1OC[C@@H](O)CN1CCC(CC[NH+](C)C)CC1 ZINC000056523094 184015215 /nfs/dbraw/zinc/01/52/15/184015215.db2.gz VWFCDAXFJFUQLE-SFHVURJKSA-N 1 3 320.477 2.398 20 0 DEADHO Cc1cccc(OC[C@@H](O)CN2CCC(CC[NH+](C)C)CC2)c1 ZINC000056523109 184015312 /nfs/dbraw/zinc/01/53/12/184015312.db2.gz DUZYIUFWDWAQHI-SFHVURJKSA-N 1 3 320.477 2.398 20 0 DEADHO O=C1CC[C@H]2C[N@H+](CCCN3CCCCC3)CC[C@H]2N1C1CC1 ZINC000249358426 296330894 /nfs/dbraw/zinc/33/08/94/296330894.db2.gz LIHVCCRRVFVVAF-FUHWJXTLSA-N 1 3 319.493 2.338 20 0 DEADHO O=C1CC[C@H]2C[N@@H+](CCCN3CCCCC3)CC[C@H]2N1C1CC1 ZINC000249358426 296330896 /nfs/dbraw/zinc/33/08/96/296330896.db2.gz LIHVCCRRVFVVAF-FUHWJXTLSA-N 1 3 319.493 2.338 20 0 DEADHO C[C@H](F)CC[NH2+]C1(C)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001368656474 1148554576 /nfs/dbraw/zinc/55/45/76/1148554576.db2.gz PGNUNUPFYSPGIQ-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO C[NH2+][C@H]1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)C1 ZINC000422706422 533030919 /nfs/dbraw/zinc/03/09/19/533030919.db2.gz DZIOAVAMDRICCB-KRWDZBQOSA-N 1 3 315.461 2.109 20 0 DEADHO CSc1ccccc1NC(=O)CCN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442764017 533046765 /nfs/dbraw/zinc/04/67/65/533046765.db2.gz STRLFPNAMAKODF-QWHCGFSZSA-N 1 3 307.463 2.406 20 0 DEADHO O=C(c1cccc(CN2CCCC2)c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000159214426 197337265 /nfs/dbraw/zinc/33/72/65/197337265.db2.gz ZFORMUCXPRTVAM-LJQANCHMSA-N 1 3 313.445 2.108 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000157750643 197212950 /nfs/dbraw/zinc/21/29/50/197212950.db2.gz YJPPHGUCHJZFDT-UHFFFAOYSA-N 1 3 320.481 2.230 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000303518377 285204458 /nfs/dbraw/zinc/20/44/58/285204458.db2.gz YMYBCYXCCIEHBL-SJORKVTESA-N 1 3 324.513 2.280 20 0 DEADHO CCNC(=O)c1ccc(C[NH2+][C@@H]2CCN(CC)C[C@@H]2C)cc1 ZINC000156496091 197117937 /nfs/dbraw/zinc/11/79/37/197117937.db2.gz DLAAUAZZALQLLL-WMLDXEAASA-N 1 3 303.450 2.256 20 0 DEADHO CC[C@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)C1CC1 ZINC000271560759 209013112 /nfs/dbraw/zinc/01/31/12/209013112.db2.gz XODZDRFLVMMLNL-KRWDZBQOSA-N 1 3 303.450 2.256 20 0 DEADHO OC[C@]1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@H]1c1ccccc1 ZINC000289677798 221147928 /nfs/dbraw/zinc/14/79/28/221147928.db2.gz HOBKNDKIPXWCOR-AKHDSKFASA-N 1 3 300.446 2.369 20 0 DEADHO OC[C@]1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@H]1c1ccccc1 ZINC000289677798 221147933 /nfs/dbraw/zinc/14/79/33/221147933.db2.gz HOBKNDKIPXWCOR-AKHDSKFASA-N 1 3 300.446 2.369 20 0 DEADHO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000294878182 224282258 /nfs/dbraw/zinc/28/22/58/224282258.db2.gz XHRZMAMQSQVMQY-RDTXWAMCSA-N 1 3 320.502 2.484 20 0 DEADHO CN(C)CCNC(=O)C1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC000683783853 542495556 /nfs/dbraw/zinc/49/55/56/542495556.db2.gz UMCOAROUTPMHKY-GOSISDBHSA-N 1 3 315.461 2.064 20 0 DEADHO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C1 ZINC000684393452 542599751 /nfs/dbraw/zinc/59/97/51/542599751.db2.gz JUKQSBGSONSDJW-IPMKNSEASA-N 1 3 318.461 2.300 20 0 DEADHO CCc1cc(N2CCC(N[C@H](C)C[C@@H]3CCC[NH2+]3)CC2)ncn1 ZINC000562747882 292008444 /nfs/dbraw/zinc/00/84/44/292008444.db2.gz KBEYDEJUWYHRMJ-PBHICJAKSA-N 1 3 317.481 2.128 20 0 DEADHO Cc1nc(C)c(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)s1 ZINC000562751836 292008749 /nfs/dbraw/zinc/00/87/49/292008749.db2.gz HSMTYMBZPYJLEF-GJZGRUSLSA-N 1 3 309.479 2.478 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NCCN1CCC[C@H](C)C1 ZINC000357610256 133088285 /nfs/dbraw/zinc/08/82/85/133088285.db2.gz SMYHJGNIHQCNST-HOTGVXAUSA-N 1 3 312.502 2.138 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NCCN1CCC[C@H](C)C1 ZINC000357610256 133088286 /nfs/dbraw/zinc/08/82/86/133088286.db2.gz SMYHJGNIHQCNST-HOTGVXAUSA-N 1 3 312.502 2.138 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000360135103 133164345 /nfs/dbraw/zinc/16/43/45/133164345.db2.gz IFCQPCSMNYMVJV-INIZCTEOSA-N 1 3 312.502 2.233 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000360135103 133164346 /nfs/dbraw/zinc/16/43/46/133164346.db2.gz IFCQPCSMNYMVJV-INIZCTEOSA-N 1 3 312.502 2.233 20 0 DEADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000562962735 292019894 /nfs/dbraw/zinc/01/98/94/292019894.db2.gz REJODZOHMRNWDZ-AITUJVMLSA-N 1 3 317.477 2.135 20 0 DEADHO CC[NH+](CC)CC1CCN(C(=O)CC2CCN(C)CC2)CC1 ZINC000362669425 133244591 /nfs/dbraw/zinc/24/45/91/133244591.db2.gz IYZRDDHIOQEMOL-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO Cc1cccc(CN(CCN(C)C)C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000362747830 133249149 /nfs/dbraw/zinc/24/91/49/133249149.db2.gz NFLWCVINNUNEDI-FUHWJXTLSA-N 1 3 317.477 2.083 20 0 DEADHO Cc1cccc(CN(CCN(C)C)C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000362747830 133249150 /nfs/dbraw/zinc/24/91/50/133249150.db2.gz NFLWCVINNUNEDI-FUHWJXTLSA-N 1 3 317.477 2.083 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000376571341 133300900 /nfs/dbraw/zinc/30/09/00/133300900.db2.gz AALKZSFPOAXKPC-DLBZAZTESA-N 1 3 322.497 2.131 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000376571341 133300901 /nfs/dbraw/zinc/30/09/01/133300901.db2.gz AALKZSFPOAXKPC-DLBZAZTESA-N 1 3 322.497 2.131 20 0 DEADHO CSC1(C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)CC1 ZINC000377618058 133337377 /nfs/dbraw/zinc/33/73/77/133337377.db2.gz SOLUUSAERHICSW-UHFFFAOYSA-N 1 3 311.539 2.372 20 0 DEADHO CC(=O)NCCN(C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000563084866 292030453 /nfs/dbraw/zinc/03/04/53/292030453.db2.gz GPFMOZWJSWAMPO-UHFFFAOYSA-N 1 3 303.450 2.240 20 0 DEADHO CCN1CC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)C1 ZINC000246805702 145115169 /nfs/dbraw/zinc/11/51/69/145115169.db2.gz AHZLVAFIOOJAQO-ZHALLVOQSA-N 1 3 316.493 2.223 20 0 DEADHO C[NH2+]C[C@](C)(O)CN1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000565094303 292133521 /nfs/dbraw/zinc/13/35/21/292133521.db2.gz ZURNKAHMEIECEX-OALUTQOASA-N 1 3 302.462 2.327 20 0 DEADHO CNC[C@](C)(O)C[N@@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000565094303 292133522 /nfs/dbraw/zinc/13/35/22/292133522.db2.gz ZURNKAHMEIECEX-OALUTQOASA-N 1 3 302.462 2.327 20 0 DEADHO CNC[C@](C)(O)C[N@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000565094303 292133524 /nfs/dbraw/zinc/13/35/24/292133524.db2.gz ZURNKAHMEIECEX-OALUTQOASA-N 1 3 302.462 2.327 20 0 DEADHO [NH3+][C@H](CC(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000261536596 145206240 /nfs/dbraw/zinc/20/62/40/145206240.db2.gz QMSKWZZDDUMHCA-RBUKOAKNSA-N 1 3 323.440 2.467 20 0 DEADHO O=C(CC[C@@H]1CCC[NH2+]1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000261549693 145207261 /nfs/dbraw/zinc/20/72/61/145207261.db2.gz PAKJWMATRVCQDK-ROUUACIJSA-N 1 3 315.461 2.299 20 0 DEADHO C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)[C@H](N)c1ccccc1 ZINC000261650652 145213977 /nfs/dbraw/zinc/21/39/77/145213977.db2.gz FEFLVTVOEQUHIF-OWLYRPNTSA-N 1 3 315.461 2.265 20 0 DEADHO C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)[C@H](N)c1ccccc1 ZINC000261650652 145213978 /nfs/dbraw/zinc/21/39/78/145213978.db2.gz FEFLVTVOEQUHIF-OWLYRPNTSA-N 1 3 315.461 2.265 20 0 DEADHO Cc1ccc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)s1 ZINC000261813686 145228706 /nfs/dbraw/zinc/22/87/06/145228706.db2.gz AFBBKBUWEFTIJO-ZBFHGGJFSA-N 1 3 321.490 2.137 20 0 DEADHO COc1ccccc1-n1nccc1CN1CCC[C@@H](CC[NH3+])C1 ZINC000261946235 145245602 /nfs/dbraw/zinc/24/56/02/145245602.db2.gz NJKLKYAVNUDWHV-HNNXBMFYSA-N 1 3 314.433 2.442 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCN(Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000262084035 145259891 /nfs/dbraw/zinc/25/98/91/145259891.db2.gz FTYKKGZCQQYMLI-YXJHDRRASA-N 1 3 304.434 2.414 20 0 DEADHO C[C@]1(C[NH3+])CCN(C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000262152433 145266331 /nfs/dbraw/zinc/26/63/31/145266331.db2.gz XLGUXZHPZLQKLB-LJQANCHMSA-N 1 3 315.461 2.096 20 0 DEADHO COc1cc2c(cc1OC)CN(C[C@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000262532344 145290371 /nfs/dbraw/zinc/29/03/71/145290371.db2.gz PUILOSDWIYYSDF-KGLIPLIRSA-N 1 3 304.434 2.450 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@H]([C@H](C)O)C2)CC1 ZINC000305833121 145346835 /nfs/dbraw/zinc/34/68/35/145346835.db2.gz FCHQINWSXLVCJQ-IRXDYDNUSA-N 1 3 317.477 2.031 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@H]([C@H](C)O)C2)CC1 ZINC000305833121 145346838 /nfs/dbraw/zinc/34/68/38/145346838.db2.gz FCHQINWSXLVCJQ-IRXDYDNUSA-N 1 3 317.477 2.031 20 0 DEADHO Cc1ccc(OCCCN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1C ZINC000323694007 145380873 /nfs/dbraw/zinc/38/08/73/145380873.db2.gz DODPTLAUAMMXIW-GOSISDBHSA-N 1 3 317.477 2.052 20 0 DEADHO Cc1nc(COc2ccc(CN3C[C@@H](C[NH3+])C[C@@H]3C)cc2)no1 ZINC000346686173 146124262 /nfs/dbraw/zinc/12/42/62/146124262.db2.gz TVXVHPYNAMACSW-SWLSCSKDSA-N 1 3 316.405 2.126 20 0 DEADHO Cc1nn(-c2ccncc2)cc1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000346832543 146149437 /nfs/dbraw/zinc/14/94/37/146149437.db2.gz QZUSDJSEFPYCLG-BMGDILEWSA-N 1 3 311.433 2.135 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)CC1CC[NH+](C)CC1 ZINC000346901950 146162215 /nfs/dbraw/zinc/16/22/15/146162215.db2.gz VBURMNCRSKIRGG-UHFFFAOYSA-N 1 3 323.506 2.370 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+](C)C[C@@H](C)OC)CC1 ZINC000348832565 146316480 /nfs/dbraw/zinc/31/64/80/146316480.db2.gz JBISXGBEBRENGK-MRXNPFEDSA-N 1 3 305.466 2.295 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+](C)C[C@@H](C)OC)CC1 ZINC000348832565 146316484 /nfs/dbraw/zinc/31/64/84/146316484.db2.gz JBISXGBEBRENGK-MRXNPFEDSA-N 1 3 305.466 2.295 20 0 DEADHO C[C@H](C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)[C@H](N)c1ccccc1 ZINC000349003507 146339109 /nfs/dbraw/zinc/33/91/09/146339109.db2.gz QTPSLJQERSOISZ-QITLCBANSA-N 1 3 324.428 2.172 20 0 DEADHO O=C(CN1CCC([C@H]2CC[NH2+]C2)CC1)N(C1CC1)C1CCCC1 ZINC000357066945 147034036 /nfs/dbraw/zinc/03/40/36/147034036.db2.gz DEOMBTNTISUSQZ-INIZCTEOSA-N 1 3 319.493 2.242 20 0 DEADHO COc1ccc(OCCN2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000357085655 147039349 /nfs/dbraw/zinc/03/93/49/147039349.db2.gz LDLJGGWPPSJAIA-MRXNPFEDSA-N 1 3 304.434 2.396 20 0 DEADHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H](C)CN(C)C)CC1 ZINC000358514457 147148746 /nfs/dbraw/zinc/14/87/46/147148746.db2.gz ZPTFRAHEBOSEDU-HNNXBMFYSA-N 1 3 312.502 2.090 20 0 DEADHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H](C)CN(C)C)CC1 ZINC000358514457 147148747 /nfs/dbraw/zinc/14/87/47/147148747.db2.gz ZPTFRAHEBOSEDU-HNNXBMFYSA-N 1 3 312.502 2.090 20 0 DEADHO C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358520457 147149422 /nfs/dbraw/zinc/14/94/22/147149422.db2.gz UWURKTVKVIOJHG-MRXNPFEDSA-N 1 3 315.461 2.109 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H](CN)c2ccc(F)cc2)C1 ZINC000358860564 147221012 /nfs/dbraw/zinc/22/10/12/147221012.db2.gz DWNUPVCFAOULEW-WMLDXEAASA-N 1 3 321.440 2.105 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H](CN)c2ccc(F)cc2)C1 ZINC000358860564 147221013 /nfs/dbraw/zinc/22/10/13/147221013.db2.gz DWNUPVCFAOULEW-WMLDXEAASA-N 1 3 321.440 2.105 20 0 DEADHO C[C@H](C(=O)N1CCC2(CC[NH2+]CC2)CC1)[C@H](N)c1ccccc1 ZINC000358886719 147224912 /nfs/dbraw/zinc/22/49/12/147224912.db2.gz MLXAGGFXZPFBLY-RDJZCZTQSA-N 1 3 315.461 2.315 20 0 DEADHO CO[C@]1(C[NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)CCOC1 ZINC000359406953 147322486 /nfs/dbraw/zinc/32/24/86/147322486.db2.gz AZIFVRJPVFCTTL-YJBOKZPZSA-N 1 3 322.449 2.083 20 0 DEADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1coc(-c2c(F)cccc2F)n1 ZINC000565660002 292175461 /nfs/dbraw/zinc/17/54/61/292175461.db2.gz MEPRMEWGNSNMAK-RKDXNWHRSA-N 1 3 309.316 2.475 20 0 DEADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cc(N(C)C)nc2ccccc21 ZINC000565660379 292175568 /nfs/dbraw/zinc/17/55/68/292175568.db2.gz OGAQYDOMLDDRLM-NEPJUHHUSA-N 1 3 300.406 2.156 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)C(C)C ZINC000371568523 148119132 /nfs/dbraw/zinc/11/91/32/148119132.db2.gz JUMMMPUBJHDXBI-IRXDYDNUSA-N 1 3 324.513 2.231 20 0 DEADHO C[C@@]1(NCCC[NH2+][C@@]2(C)CCO[C@H]2C2CC2)CCO[C@H]1C1CC1 ZINC000371717695 148133567 /nfs/dbraw/zinc/13/35/67/148133567.db2.gz UDBKRCYMSHKMLE-CADBVGFASA-N 1 3 322.493 2.471 20 0 DEADHO C[C@@]1([NH2+]CCCN[C@@]2(C)CCO[C@H]2C2CC2)CCO[C@H]1C1CC1 ZINC000371717695 148133568 /nfs/dbraw/zinc/13/35/68/148133568.db2.gz UDBKRCYMSHKMLE-CADBVGFASA-N 1 3 322.493 2.471 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])C2CCC2)N2CCCC2)cc1 ZINC000423362388 292200663 /nfs/dbraw/zinc/20/06/63/292200663.db2.gz SYQZKCPBZPQBHE-MSOLQXFVSA-N 1 3 315.461 2.376 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000127474121 401736402 /nfs/dbraw/zinc/73/64/02/401736402.db2.gz PVBDRSGPWTZWHI-ZBFHGGJFSA-N 1 3 322.497 2.175 20 0 DEADHO CO[C@H]1C[C@H]([N@H+](C)CCCN2CCN(C(C)C)CC2)C12CCC2 ZINC000451861424 286107945 /nfs/dbraw/zinc/10/79/45/286107945.db2.gz XMCYVSQMPZIBEX-ROUUACIJSA-N 1 3 323.525 2.292 20 0 DEADHO CO[C@H]1C[C@H]([N@@H+](C)CCCN2CCN(C(C)C)CC2)C12CCC2 ZINC000451861424 286107948 /nfs/dbraw/zinc/10/79/48/286107948.db2.gz XMCYVSQMPZIBEX-ROUUACIJSA-N 1 3 323.525 2.292 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]CCN2CCCCC2)[C@H](C)C1 ZINC000128235887 401768140 /nfs/dbraw/zinc/76/81/40/401768140.db2.gz ZBYDNBCHCTUBCH-MSOLQXFVSA-N 1 3 311.514 2.199 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](NCCN2CCCCC2)[C@H](C)C1 ZINC000128235887 401768144 /nfs/dbraw/zinc/76/81/44/401768144.db2.gz ZBYDNBCHCTUBCH-MSOLQXFVSA-N 1 3 311.514 2.199 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](NCCN2CCCCC2)[C@H](C)C1 ZINC000128235887 401768147 /nfs/dbraw/zinc/76/81/47/401768147.db2.gz ZBYDNBCHCTUBCH-MSOLQXFVSA-N 1 3 311.514 2.199 20 0 DEADHO CC[C@@]1(C(=O)NCCCN(C)Cc2ccccc2)CCC[NH2+]1 ZINC000128699281 401788011 /nfs/dbraw/zinc/78/80/11/401788011.db2.gz CYDXSSGVMAXHMB-SFHVURJKSA-N 1 3 303.450 2.157 20 0 DEADHO C[C@@H]1CN(CC2CC[NH+](CCc3ccccn3)CC2)C[C@@H](C)O1 ZINC000077482830 401817080 /nfs/dbraw/zinc/81/70/80/401817080.db2.gz CDEWXIFCJQRPAJ-IAGOWNOFSA-N 1 3 317.477 2.445 20 0 DEADHO CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000130420031 401830681 /nfs/dbraw/zinc/83/06/81/401830681.db2.gz DGOFHKHKJBDQRW-LSDHHAIUSA-N 1 3 322.497 2.127 20 0 DEADHO C[C@H](CC(=O)N(CCN(C)C)CC[NH+](C)C)c1cccc(F)c1 ZINC000116192713 401844985 /nfs/dbraw/zinc/84/49/85/401844985.db2.gz TVUQNURPAAGSDS-OAHLLOKOSA-N 1 3 323.456 2.271 20 0 DEADHO CCN(CC)CCC[NH2+][C@@H](C)Cn1cc(Br)cn1 ZINC000131431449 401850255 /nfs/dbraw/zinc/85/02/55/401850255.db2.gz PMRMGPFFFRVOOA-LBPRGKRZSA-N 1 3 317.275 2.356 20 0 DEADHO C[C@@H]1C[NH+](CC2CCN(Cc3ccncc3)CC2)C[C@@H](C)O1 ZINC000078802018 401867007 /nfs/dbraw/zinc/86/70/07/401867007.db2.gz KFZPAYRSHINURV-HZPDHXFCSA-N 1 3 303.450 2.403 20 0 DEADHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)N(C)c2ccccc2)C1 ZINC000135126745 401928061 /nfs/dbraw/zinc/92/80/61/401928061.db2.gz FBWHHSXCUJTTOB-INIZCTEOSA-N 1 3 303.450 2.313 20 0 DEADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)N(C)c2ccccc2)C1 ZINC000135126745 401928062 /nfs/dbraw/zinc/92/80/62/401928062.db2.gz FBWHHSXCUJTTOB-INIZCTEOSA-N 1 3 303.450 2.313 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CN1C1CC1 ZINC000119178026 401930997 /nfs/dbraw/zinc/93/09/97/401930997.db2.gz VLVDLQJHLHGMNK-QWHCGFSZSA-N 1 3 322.497 2.220 20 0 DEADHO CN(CCC(=O)N1CCc2ccccc21)C[C@H]1CCC[N@H+](C)C1 ZINC000118841301 401911001 /nfs/dbraw/zinc/91/10/01/401911001.db2.gz SJQXZFKYLGUASY-INIZCTEOSA-N 1 3 315.461 2.239 20 0 DEADHO CN(CCC(=O)N1CCc2ccccc21)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841301 401911002 /nfs/dbraw/zinc/91/10/02/401911002.db2.gz SJQXZFKYLGUASY-INIZCTEOSA-N 1 3 315.461 2.239 20 0 DEADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2ccccn2)[C@H](C)C1 ZINC000151406921 402034198 /nfs/dbraw/zinc/03/41/98/402034198.db2.gz OYHIWIRRBFBITL-SJLPKXTDSA-N 1 3 305.466 2.351 20 0 DEADHO CCOCCC[N@H+]1CC[C@@H](NCCc2ccccn2)[C@H](C)C1 ZINC000151406921 402034199 /nfs/dbraw/zinc/03/41/99/402034199.db2.gz OYHIWIRRBFBITL-SJLPKXTDSA-N 1 3 305.466 2.351 20 0 DEADHO CCC[C@@H]1CN(CCCn2ccnc2C)CC[N@@H+]1CCOC ZINC000121868585 402055544 /nfs/dbraw/zinc/05/55/44/402055544.db2.gz NTSNYBOOIPWDAG-QGZVFWFLSA-N 1 3 308.470 2.014 20 0 DEADHO CCC[C@@H]1CN(CCCn2ccnc2C)CC[N@H+]1CCOC ZINC000121868585 402055545 /nfs/dbraw/zinc/05/55/45/402055545.db2.gz NTSNYBOOIPWDAG-QGZVFWFLSA-N 1 3 308.470 2.014 20 0 DEADHO C[NH+](C)CCCC1CCN(Cc2ccc(C(N)=O)cc2)CC1 ZINC000123200728 402115391 /nfs/dbraw/zinc/11/53/91/402115391.db2.gz DAQXWZSCLRWKPT-UHFFFAOYSA-N 1 3 303.450 2.339 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCN(C)[C@H](C)C2)[C@H](C)C1 ZINC000122237919 402068466 /nfs/dbraw/zinc/06/84/66/402068466.db2.gz NPTCEKTZVJBGRS-TVFCKZIOSA-N 1 3 311.514 2.196 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000103132254 402179465 /nfs/dbraw/zinc/17/94/65/402179465.db2.gz MRPZOQOORUVDGQ-SFHVURJKSA-N 1 3 317.477 2.007 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000103132254 402179467 /nfs/dbraw/zinc/17/94/67/402179467.db2.gz MRPZOQOORUVDGQ-SFHVURJKSA-N 1 3 317.477 2.007 20 0 DEADHO CN(CCC1OCCO1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000124492848 402182745 /nfs/dbraw/zinc/18/27/45/402182745.db2.gz BBDSJLNMIGDRKY-QGZVFWFLSA-N 1 3 304.434 2.203 20 0 DEADHO CN(CCC1OCCO1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000124492848 402182748 /nfs/dbraw/zinc/18/27/48/402182748.db2.gz BBDSJLNMIGDRKY-QGZVFWFLSA-N 1 3 304.434 2.203 20 0 DEADHO COc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1O ZINC000067453056 402159654 /nfs/dbraw/zinc/15/96/54/402159654.db2.gz UOPJKCOZKFFPTG-GASCZTMLSA-N 1 3 322.449 2.380 20 0 DEADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@H](C(N)=O)C1 ZINC000155054590 402243238 /nfs/dbraw/zinc/24/32/38/402243238.db2.gz UNNFPIFZCYRKER-KRWDZBQOSA-N 1 3 317.477 2.342 20 0 DEADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@H](C(N)=O)C1 ZINC000155054590 402243241 /nfs/dbraw/zinc/24/32/41/402243241.db2.gz UNNFPIFZCYRKER-KRWDZBQOSA-N 1 3 317.477 2.342 20 0 DEADHO COc1ccc([C@@H](C)[NH2+]CCCCN2CCN(C)CC2)cc1 ZINC000154422733 402211828 /nfs/dbraw/zinc/21/18/28/402211828.db2.gz LQTIMAMTKFUQAH-MRXNPFEDSA-N 1 3 305.466 2.373 20 0 DEADHO C[C@@H](CNC(=O)NCCN1CCC[C@@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000195640080 402274423 /nfs/dbraw/zinc/27/44/23/402274423.db2.gz KHKGHVKJHAKQEQ-ZACQAIPSSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H](CNC(=O)NCCN1CCC[C@@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000195640080 402274424 /nfs/dbraw/zinc/27/44/24/402274424.db2.gz KHKGHVKJHAKQEQ-ZACQAIPSSA-N 1 3 324.513 2.138 20 0 DEADHO CC[NH+](CC)Cc1cccc(CNC(=O)N(C)CCN(C)C)c1 ZINC000176201197 402289741 /nfs/dbraw/zinc/28/97/41/402289741.db2.gz HZILBBGZZVDDCA-UHFFFAOYSA-N 1 3 320.481 2.231 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000158657533 402309904 /nfs/dbraw/zinc/30/99/04/402309904.db2.gz IBHCVWWMGOTFGB-MRXNPFEDSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)N(C)C1CC1 ZINC000159102275 402317513 /nfs/dbraw/zinc/31/75/13/402317513.db2.gz ZKIDSOJWOREASO-RDJZCZTQSA-N 1 3 322.497 2.129 20 0 DEADHO C[NH+](C)CCOCCNCc1ccc(Br)s1 ZINC000230004650 402345976 /nfs/dbraw/zinc/34/59/76/402345976.db2.gz SNAMFOQDFXHITK-UHFFFAOYSA-N 1 3 307.257 2.178 20 0 DEADHO CCCC[C@H]([NH3+])C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000236844439 402385287 /nfs/dbraw/zinc/38/52/87/402385287.db2.gz NDEWCBWWRWAGHW-PVAVHDDUSA-N 1 3 303.450 2.283 20 0 DEADHO CN1CCC[C@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)[C@@H]1c1cccs1 ZINC000237124755 402396044 /nfs/dbraw/zinc/39/60/44/402396044.db2.gz VUQAZSTVMIQVTP-UNEWFSDZSA-N 1 3 321.490 2.247 20 0 DEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](CN)c2ccccc2)C1 ZINC000237531391 402411299 /nfs/dbraw/zinc/41/12/99/402411299.db2.gz JNHPLRXPOJROEF-WBVHZDCISA-N 1 3 317.477 2.356 20 0 DEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](CN)c2ccccc2)C1 ZINC000237531391 402411303 /nfs/dbraw/zinc/41/13/03/402411303.db2.gz JNHPLRXPOJROEF-WBVHZDCISA-N 1 3 317.477 2.356 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)C2(C[NH3+])CCCC2)CN1Cc1ccccc1 ZINC000237586626 402414197 /nfs/dbraw/zinc/41/41/97/402414197.db2.gz MASAAGOKWUHIIA-WBVHZDCISA-N 1 3 315.461 2.285 20 0 DEADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)[C@@H]1CCCC[NH2+]1 ZINC000237951687 402427958 /nfs/dbraw/zinc/42/79/58/402427958.db2.gz RHQPUWDGUAEZTG-HOCLYGCPSA-N 1 3 321.490 2.218 20 0 DEADHO N[C@@H](Cc1ccccc1)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000238082806 402436799 /nfs/dbraw/zinc/43/67/99/402436799.db2.gz WWSNANJOEDIOSN-SFHVURJKSA-N 1 3 317.477 2.329 20 0 DEADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](N)CCSC)C1 ZINC000237037684 402391881 /nfs/dbraw/zinc/39/18/81/402391881.db2.gz NDYMIVYSQMKZME-KBPBESRZSA-N 1 3 315.527 2.084 20 0 DEADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](N)CCSC)C1 ZINC000237037684 402391884 /nfs/dbraw/zinc/39/18/84/402391884.db2.gz NDYMIVYSQMKZME-KBPBESRZSA-N 1 3 315.527 2.084 20 0 DEADHO C[C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)[C@@H](N)c1ccccc1 ZINC000163570945 402453114 /nfs/dbraw/zinc/45/31/14/402453114.db2.gz LIOWCOGLPQGDDW-RYQLBKOJSA-N 1 3 315.461 2.409 20 0 DEADHO CC(C)(C)[C@H](N)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000164030641 402459641 /nfs/dbraw/zinc/45/96/41/402459641.db2.gz PARVGSVOGUZSKN-JKSUJKDBSA-N 1 3 303.450 2.313 20 0 DEADHO C[C@H](CC(=O)N1CCC[C@@H]1CN1CCCCC1)C1CC[NH2+]CC1 ZINC000165689100 402477851 /nfs/dbraw/zinc/47/78/51/402477851.db2.gz FODQQODXXMRKCF-SJLPKXTDSA-N 1 3 321.509 2.489 20 0 DEADHO C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1(N2CCOCC2)CCCCC1 ZINC000165968723 402480550 /nfs/dbraw/zinc/48/05/50/402480550.db2.gz DTVOMMCOFNVWPO-QZTJIDSGSA-N 1 3 321.509 2.238 20 0 DEADHO C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1(N2CCOCC2)CCCCC1 ZINC000165968723 402480553 /nfs/dbraw/zinc/48/05/53/402480553.db2.gz DTVOMMCOFNVWPO-QZTJIDSGSA-N 1 3 321.509 2.238 20 0 DEADHO CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@H](C)N)ccc21 ZINC000166167350 402481794 /nfs/dbraw/zinc/48/17/94/402481794.db2.gz XYCQJCHCCARTGM-ZDUSSCGKSA-N 1 3 302.422 2.269 20 0 DEADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](N)CCSC)C1 ZINC000168644326 402498149 /nfs/dbraw/zinc/49/81/49/402498149.db2.gz NDYMIVYSQMKZME-UONOGXRCSA-N 1 3 315.527 2.084 20 0 DEADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](N)CCSC)C1 ZINC000168644326 402498154 /nfs/dbraw/zinc/49/81/54/402498154.db2.gz NDYMIVYSQMKZME-UONOGXRCSA-N 1 3 315.527 2.084 20 0 DEADHO CN1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccc(N3CCCC3)nc1)C2 ZINC000178437172 402498219 /nfs/dbraw/zinc/49/82/19/402498219.db2.gz MBPUICIHUCYNNM-ALOPSCKCSA-N 1 3 300.450 2.397 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)C1 ZINC000247455374 402567686 /nfs/dbraw/zinc/56/76/86/402567686.db2.gz PPEGXEXWUXMXMJ-IXDOHACOSA-N 1 3 324.513 2.233 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000170719235 402517345 /nfs/dbraw/zinc/51/73/45/402517345.db2.gz FZRXHUAKADDYMK-KRWDZBQOSA-N 1 3 316.449 2.450 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246245571 402519582 /nfs/dbraw/zinc/51/95/82/402519582.db2.gz JHZOTRVOEUTGFX-YVSFHVDLSA-N 1 3 309.498 2.473 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246245571 402519585 /nfs/dbraw/zinc/51/95/85/402519585.db2.gz JHZOTRVOEUTGFX-YVSFHVDLSA-N 1 3 309.498 2.473 20 0 DEADHO CCCN(CCC[NH+](C)C)C(=O)NCCN1CCC[C@H](C)C1 ZINC000188618895 402521647 /nfs/dbraw/zinc/52/16/47/402521647.db2.gz RTPIFHAVDHNVBT-INIZCTEOSA-N 1 3 312.502 2.092 20 0 DEADHO CCCN(CCC[NH+](C)C)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000188618916 402521751 /nfs/dbraw/zinc/52/17/51/402521751.db2.gz RTPIFHAVDHNVBT-MRXNPFEDSA-N 1 3 312.502 2.092 20 0 DEADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000246321171 402524544 /nfs/dbraw/zinc/52/45/44/402524544.db2.gz MWUIDVDQGGBZMF-GDBMZVCRSA-N 1 3 324.513 2.231 20 0 DEADHO C[C@H](CNC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000246368129 402527331 /nfs/dbraw/zinc/52/73/31/402527331.db2.gz QORTUEGBHXJOEB-YYIAUSFCSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@H](CNC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000246368129 402527334 /nfs/dbraw/zinc/52/73/34/402527334.db2.gz QORTUEGBHXJOEB-YYIAUSFCSA-N 1 3 324.513 2.088 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000246468593 402532566 /nfs/dbraw/zinc/53/25/66/402532566.db2.gz VGXIXNYKEFJLNI-LSDHHAIUSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000248215892 402585287 /nfs/dbraw/zinc/58/52/87/402585287.db2.gz ZQUVFGSFPBSPCN-KBXIAJHMSA-N 1 3 311.470 2.314 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000248215892 402585290 /nfs/dbraw/zinc/58/52/90/402585290.db2.gz ZQUVFGSFPBSPCN-KBXIAJHMSA-N 1 3 311.470 2.314 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cnn(C(C)C)c2C)CC1 ZINC000191171163 402647505 /nfs/dbraw/zinc/64/75/05/402647505.db2.gz SQNWFUBOEOGZEV-INIZCTEOSA-N 1 3 321.513 2.451 20 0 DEADHO C[C@@H]([NH3+])[C@H](C)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000192113903 402712213 /nfs/dbraw/zinc/71/22/13/402712213.db2.gz HUUVPJSXNAGEKN-HPFXQQBRSA-N 1 3 317.477 2.481 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])N(C)C)cc1 ZINC000261615041 402714376 /nfs/dbraw/zinc/71/43/76/402714376.db2.gz ADHRTZZGYSXLHY-ZACQAIPSSA-N 1 3 303.450 2.089 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000261846360 402718280 /nfs/dbraw/zinc/71/82/80/402718280.db2.gz ZHSDFRSGHPWSRE-RCCFBDPRSA-N 1 3 315.461 2.457 20 0 DEADHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)CCc3ccccc3)CC[C@@H]21 ZINC000182471630 402692877 /nfs/dbraw/zinc/69/28/77/402692877.db2.gz HOIXSPYGMNIOLF-QRVBRYPASA-N 1 3 302.462 2.396 20 0 DEADHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)CCc3ccccc3)CC[C@@H]21 ZINC000182471630 402692880 /nfs/dbraw/zinc/69/28/80/402692880.db2.gz HOIXSPYGMNIOLF-QRVBRYPASA-N 1 3 302.462 2.396 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)CCc3ccccc3)CC[C@@H]21 ZINC000182471630 402692881 /nfs/dbraw/zinc/69/28/81/402692881.db2.gz HOIXSPYGMNIOLF-QRVBRYPASA-N 1 3 302.462 2.396 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C[C@H](O)CCc3ccccc3)CC[C@@H]21 ZINC000182471630 402692884 /nfs/dbraw/zinc/69/28/84/402692884.db2.gz HOIXSPYGMNIOLF-QRVBRYPASA-N 1 3 302.462 2.396 20 0 DEADHO CC[C@@H](CSC)[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000192784525 402749831 /nfs/dbraw/zinc/74/98/31/402749831.db2.gz HQJATSAEFURIGH-INIZCTEOSA-N 1 3 301.544 2.476 20 0 DEADHO CC[C@@H](CSC)[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000192784525 402749833 /nfs/dbraw/zinc/74/98/33/402749833.db2.gz HQJATSAEFURIGH-INIZCTEOSA-N 1 3 301.544 2.476 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000174746953 402755293 /nfs/dbraw/zinc/75/52/93/402755293.db2.gz KNHBJQOULHVMCX-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CC[NH+]1CCC(CNC(=O)NC2CCN(C)CC2)CC1 ZINC000175304315 402796011 /nfs/dbraw/zinc/79/60/11/402796011.db2.gz OXEACXGFYLDOMI-UHFFFAOYSA-N 1 3 324.513 2.138 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)[C@H](N)CCSC)c1ccccc1 ZINC000263952915 402823751 /nfs/dbraw/zinc/82/37/51/402823751.db2.gz ZTDPMJLROARUKX-CVEARBPZSA-N 1 3 323.506 2.266 20 0 DEADHO Cc1ccc([C@H](CNC(=O)C23CCC[NH+]2CCC3)N(C)C)cc1 ZINC000278923155 402886576 /nfs/dbraw/zinc/88/65/76/402886576.db2.gz SBWLKIXIQCFNMP-KRWDZBQOSA-N 1 3 315.461 2.342 20 0 DEADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)/C=C/CN(C)C)c1ccccc1 ZINC000265706563 402941827 /nfs/dbraw/zinc/94/18/27/402941827.db2.gz SUYQCTFAJVEDFZ-SAAWKEMMSA-N 1 3 303.450 2.350 20 0 DEADHO C[C@@H](CC(N)=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000267271017 403031163 /nfs/dbraw/zinc/03/11/63/403031163.db2.gz SGPIEHKVGONICK-LSDHHAIUSA-N 1 3 303.450 2.415 20 0 DEADHO C[C@@H](CC(N)=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000267271017 403031165 /nfs/dbraw/zinc/03/11/65/403031165.db2.gz SGPIEHKVGONICK-LSDHHAIUSA-N 1 3 303.450 2.415 20 0 DEADHO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@H](C)CCN(C)C ZINC000273126891 402974523 /nfs/dbraw/zinc/97/45/23/402974523.db2.gz ARXVKWVAAUCMHD-ZIAGYGMSSA-N 1 3 308.422 2.229 20 0 DEADHO Cc1ccc(OC(F)F)c(CNCC2(O)CC[NH+](C)CC2)c1 ZINC000268364513 403077172 /nfs/dbraw/zinc/07/71/72/403077172.db2.gz UUQNOIWCOPACKB-UHFFFAOYSA-N 1 3 314.376 2.143 20 0 DEADHO Cc1ccc([C@@H](CCn2cncn2)NCCC[NH+](C)C)cc1 ZINC000275596384 403108251 /nfs/dbraw/zinc/10/82/51/403108251.db2.gz DXWBCMWMPKPBOY-QGZVFWFLSA-N 1 3 301.438 2.259 20 0 DEADHO COc1ccc(C2(CN[C@@H]3CCC[C@@H]3[NH3+])CCOCC2)cc1 ZINC000422897905 286296627 /nfs/dbraw/zinc/29/66/27/286296627.db2.gz KPEJBHLBWVDMTA-DLBZAZTESA-N 1 3 304.434 2.213 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CC2(N(C)C)Cc3ccccc3C2)CCN1C ZINC000268921852 403121080 /nfs/dbraw/zinc/12/10/80/403121080.db2.gz UYTGAHIHSONAQT-MAUKXSAKSA-N 1 3 301.478 2.158 20 0 DEADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc2c(c1)CCO2 ZINC000282236134 403135401 /nfs/dbraw/zinc/13/54/01/403135401.db2.gz IUFFFSGTOLHHIF-OAHLLOKOSA-N 1 3 317.477 2.298 20 0 DEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCC23CCC3)cc1 ZINC000282331804 403143934 /nfs/dbraw/zinc/14/39/34/403143934.db2.gz UVAXNXAYQUVCAD-QGZVFWFLSA-N 1 3 315.461 2.400 20 0 DEADHO CN(C)[C@@H]1CCC[N@H+](CCC(=O)N(C)c2ccccc2)CC1 ZINC000277268060 403199823 /nfs/dbraw/zinc/19/98/23/403199823.db2.gz RISYJQHEIPOMRW-MRXNPFEDSA-N 1 3 303.450 2.456 20 0 DEADHO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)N(C)c2ccccc2)CC1 ZINC000277268060 403199825 /nfs/dbraw/zinc/19/98/25/403199825.db2.gz RISYJQHEIPOMRW-MRXNPFEDSA-N 1 3 303.450 2.456 20 0 DEADHO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](N(C)C)CC2)cc1 ZINC000277387540 403212457 /nfs/dbraw/zinc/21/24/57/403212457.db2.gz YONOZUOPOSTMOX-MRXNPFEDSA-N 1 3 319.449 2.440 20 0 DEADHO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](N(C)C)CC2)cc1 ZINC000277387540 403212459 /nfs/dbraw/zinc/21/24/59/403212459.db2.gz YONOZUOPOSTMOX-MRXNPFEDSA-N 1 3 319.449 2.440 20 0 DEADHO CCN1CCN(c2ccc(NC(=O)CC[C@@H](C)[NH3+])c(C)c2)CC1 ZINC000277466162 403220612 /nfs/dbraw/zinc/22/06/12/403220612.db2.gz JGHPWOCKCXNKTD-OAHLLOKOSA-N 1 3 318.465 2.203 20 0 DEADHO COc1ccc(C[NH2+]CCCN2CCCO[C@H](C)C2)c(OC)c1 ZINC000277723899 403249646 /nfs/dbraw/zinc/24/96/46/403249646.db2.gz JGXUYDUGUQYGEI-OAHLLOKOSA-N 1 3 322.449 2.294 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000339470243 403384566 /nfs/dbraw/zinc/38/45/66/403384566.db2.gz PYDDSUMBQVZXCM-UXLLHSPISA-N 1 3 307.482 2.050 20 0 DEADHO C[NH2+]CCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000285846842 403394096 /nfs/dbraw/zinc/39/40/96/403394096.db2.gz XGOGSUNUDXZKIW-RDJZCZTQSA-N 1 3 303.450 2.107 20 0 DEADHO Cc1nccn1-c1ccc(CNC2CC[NH+](C3CC3)CC2)cn1 ZINC000298513115 403402098 /nfs/dbraw/zinc/40/20/98/403402098.db2.gz QZYNIJMAEBGUEQ-UHFFFAOYSA-N 1 3 311.433 2.292 20 0 DEADHO Cc1nccn1-c1ccc(C[NH2+]C2CCN(C3CC3)CC2)cn1 ZINC000298513115 403402100 /nfs/dbraw/zinc/40/21/00/403402100.db2.gz QZYNIJMAEBGUEQ-UHFFFAOYSA-N 1 3 311.433 2.292 20 0 DEADHO CC(C)(C)OC(=O)CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298524252 403404749 /nfs/dbraw/zinc/40/47/49/403404749.db2.gz RQYVUOGMBRFHOW-UHFFFAOYSA-N 1 3 305.422 2.372 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000345679297 403433241 /nfs/dbraw/zinc/43/32/41/403433241.db2.gz WSNOTOVHPSOWOW-BFYDXBDKSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000345679297 403433243 /nfs/dbraw/zinc/43/32/43/403433243.db2.gz WSNOTOVHPSOWOW-BFYDXBDKSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)(CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)N1CCCCC1 ZINC000332021005 403463745 /nfs/dbraw/zinc/46/37/45/403463745.db2.gz ZWYCEIGGWOOBPW-HRCADAONSA-N 1 3 322.497 2.020 20 0 DEADHO CC[C@H](C(=O)N(CC[NH+](C)C)Cc1ccccc1F)N(C)C ZINC000298892220 403481696 /nfs/dbraw/zinc/48/16/96/403481696.db2.gz MHLZLKHNZPAARH-MRXNPFEDSA-N 1 3 309.429 2.056 20 0 DEADHO C[C@H]1[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)CCCN1C ZINC000345779832 403482071 /nfs/dbraw/zinc/48/20/71/403482071.db2.gz LTSCJPDXLWYTQT-HOCLYGCPSA-N 1 3 310.486 2.081 20 0 DEADHO CN(C)[C@H](CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])Cc1ccccc1 ZINC000345782610 403482889 /nfs/dbraw/zinc/48/28/89/403482889.db2.gz ZFFKXDSTVUJIEJ-LNLFQRSKSA-N 1 3 317.477 2.183 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)N1CCCCC1 ZINC000346335272 403585751 /nfs/dbraw/zinc/58/57/51/403585751.db2.gz XYSGTIIRAJCWJJ-FUHWJXTLSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)N1CCCCC1 ZINC000346335272 403585753 /nfs/dbraw/zinc/58/57/53/403585753.db2.gz XYSGTIIRAJCWJJ-FUHWJXTLSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]([NH2+]CC(C)(C)OCCO)c1cccc(OCCN(C)C)c1 ZINC000287381788 403587284 /nfs/dbraw/zinc/58/72/84/403587284.db2.gz PKMQOKKZJITYEL-OAHLLOKOSA-N 1 3 324.465 2.065 20 0 DEADHO CN1CC=C(CNC(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000343369974 403557405 /nfs/dbraw/zinc/55/74/05/403557405.db2.gz QCKOYUBSEMCNNR-UHFFFAOYSA-N 1 3 322.497 2.202 20 0 DEADHO C[C@@H](C[NH+](C)C)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000287303175 403571221 /nfs/dbraw/zinc/57/12/21/403571221.db2.gz VQNVVFOVSGPHAG-LBPRGKRZSA-N 1 3 303.406 2.174 20 0 DEADHO Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000566909801 292276271 /nfs/dbraw/zinc/27/62/71/292276271.db2.gz PEEOTKKFKJTIIU-ROUUACIJSA-N 1 3 320.477 2.445 20 0 DEADHO C[C@@H]([NH2+]CC(C)(C)OCCO)c1ccc(OCCN(C)C)cc1 ZINC000287473810 403606543 /nfs/dbraw/zinc/60/65/43/403606543.db2.gz WOKBLTMLIGUQIS-OAHLLOKOSA-N 1 3 324.465 2.065 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21)N(C)C ZINC001422840655 1172882484 /nfs/dbraw/zinc/88/24/84/1172882484.db2.gz QTPMRGGYGZPHSF-LVQVYYBASA-N 1 3 309.498 2.057 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21)N(C)C ZINC001422840655 1172882486 /nfs/dbraw/zinc/88/24/86/1172882486.db2.gz QTPMRGGYGZPHSF-LVQVYYBASA-N 1 3 309.498 2.057 20 0 DEADHO C[C@H]1C[C@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)CCN1C ZINC000347213641 403624923 /nfs/dbraw/zinc/62/49/23/403624923.db2.gz KKVYRPDQOMSYQG-DOTOQJQBSA-N 1 3 324.513 2.233 20 0 DEADHO CN(C)c1cccc(CNC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000294170960 403664042 /nfs/dbraw/zinc/66/40/42/403664042.db2.gz JFMYLHVNUFIFAS-UHFFFAOYSA-N 1 3 311.433 2.301 20 0 DEADHO c1cc(N2CCC([NH2+]C[C@H]3CCN(C4CC4)C3)CC2)ccn1 ZINC000294256342 403685138 /nfs/dbraw/zinc/68/51/38/403685138.db2.gz QKUHDFZTVDUJER-OAHLLOKOSA-N 1 3 300.450 2.124 20 0 DEADHO O=C1Nc2ccccc2C12CCC([NH2+]C[C@H]1CCCNC1)CC2 ZINC000333257498 403708002 /nfs/dbraw/zinc/70/80/02/403708002.db2.gz IFWQFSCSZVBSRI-XVTSOASTSA-N 1 3 313.445 2.408 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@H]2CCCN(C)[C@@H]2C)C1 ZINC000343787447 403733497 /nfs/dbraw/zinc/73/34/97/403733497.db2.gz AAGHMLHSBYEQRA-TWMKSMIVSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N[C@H]2CCCN(C)[C@@H]2C)C1 ZINC000343787447 403733501 /nfs/dbraw/zinc/73/35/01/403733501.db2.gz AAGHMLHSBYEQRA-TWMKSMIVSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H]1CCC[C@](CNC(=O)N[C@H]2CCN(C)[C@H](C)C2)([NH+](C)C)C1 ZINC000341009974 403733570 /nfs/dbraw/zinc/73/35/70/403733570.db2.gz DWHPHEDMWIILTA-CBZIJGRNSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000341026885 403741525 /nfs/dbraw/zinc/74/15/25/403741525.db2.gz XNENMLHVOWGLRS-NNXHMXCWSA-N 1 3 324.513 2.135 20 0 DEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000341026885 403741529 /nfs/dbraw/zinc/74/15/29/403741529.db2.gz XNENMLHVOWGLRS-NNXHMXCWSA-N 1 3 324.513 2.135 20 0 DEADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc3c(c2)CNC3)C1 ZINC000347531649 403742911 /nfs/dbraw/zinc/74/29/11/403742911.db2.gz OIOYNGCEECWGFJ-HNNXBMFYSA-N 1 3 313.445 2.094 20 0 DEADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc3c(c2)CNC3)C1 ZINC000347531649 403742918 /nfs/dbraw/zinc/74/29/18/403742918.db2.gz OIOYNGCEECWGFJ-HNNXBMFYSA-N 1 3 313.445 2.094 20 0 DEADHO C[C@H]1C[C@H](NC(=O)NCC[NH2+]C2CCCCCC2)CCN1C ZINC000333404258 403745095 /nfs/dbraw/zinc/74/50/95/403745095.db2.gz QJPQWMQKJSBXJK-GOEBONIOSA-N 1 3 310.486 2.081 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)[C@H](N)c1ccccc1 ZINC000295088664 403756021 /nfs/dbraw/zinc/75/60/21/403756021.db2.gz SWOPJYKNTZUPES-ANQUJSFKSA-N 1 3 303.450 2.204 20 0 DEADHO CCC[C@H]1CN(CC[C@@H]2CCCC[N@@H+]2C)CCN1CCOC ZINC000347577416 403759450 /nfs/dbraw/zinc/75/94/50/403759450.db2.gz AMMPTTWTPDTICC-ROUUACIJSA-N 1 3 311.514 2.294 20 0 DEADHO CCC[C@H]1CN(CC[C@@H]2CCCC[N@H+]2C)CCN1CCOC ZINC000347577416 403759455 /nfs/dbraw/zinc/75/94/55/403759455.db2.gz AMMPTTWTPDTICC-ROUUACIJSA-N 1 3 311.514 2.294 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CCN1C ZINC000341177209 403808801 /nfs/dbraw/zinc/80/88/01/403808801.db2.gz JRVMJSDEALWYHC-KFWWJZLASA-N 1 3 312.502 2.135 20 0 DEADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H](C)CN(C)C ZINC000289037376 403813328 /nfs/dbraw/zinc/81/33/28/403813328.db2.gz JXBRWOCTMOVTHR-HNNXBMFYSA-N 1 3 320.481 2.278 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)CCN1C ZINC000341208417 403834328 /nfs/dbraw/zinc/83/43/28/403834328.db2.gz USLKQFAWHDGPAI-HOCLYGCPSA-N 1 3 310.486 2.081 20 0 DEADHO O=C(Nc1ccc2c(c1)CNCC2)c1ccc2c(c1)CC[NH2+]CC2 ZINC000295176513 403785290 /nfs/dbraw/zinc/78/52/90/403785290.db2.gz MDSXGUDCPJVLJY-UHFFFAOYSA-N 1 3 321.424 2.273 20 0 DEADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CCN1C ZINC000341165736 403803783 /nfs/dbraw/zinc/80/37/83/403803783.db2.gz NWWYDTDWHQDUAH-HLLBOEOZSA-N 1 3 322.497 2.127 20 0 DEADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CCN1C ZINC000341165736 403803785 /nfs/dbraw/zinc/80/37/85/403803785.db2.gz NWWYDTDWHQDUAH-HLLBOEOZSA-N 1 3 322.497 2.127 20 0 DEADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H](C)NC1CC1)c1ccccc1 ZINC000295320473 403852972 /nfs/dbraw/zinc/85/29/72/403852972.db2.gz YZBLHNOZXDUTFV-KGLIPLIRSA-N 1 3 303.450 2.373 20 0 DEADHO COC(=O)CCNC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000411529917 403883421 /nfs/dbraw/zinc/88/34/21/403883421.db2.gz IUDAZCNBXKQDQK-GJZGRUSLSA-N 1 3 304.434 2.296 20 0 DEADHO C[C@@H](C(=O)N1CC[C@@H](N2CCCCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000341422117 403963175 /nfs/dbraw/zinc/96/31/75/403963175.db2.gz RQJTWTUAYNUFNG-VVLHAWIVSA-N 1 3 307.482 2.335 20 0 DEADHO C[C@@H](C(=O)N1CC[C@@H](N2CCCCC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000341422117 403963179 /nfs/dbraw/zinc/96/31/79/403963179.db2.gz RQJTWTUAYNUFNG-VVLHAWIVSA-N 1 3 307.482 2.335 20 0 DEADHO C[C@@H]1CCN(C)CCN1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000361845382 403903589 /nfs/dbraw/zinc/90/35/89/403903589.db2.gz ZGBZSNQLQPFPLQ-OAHLLOKOSA-N 1 3 322.497 2.129 20 0 DEADHO CCN1C[C@H](C)[C@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)C1 ZINC000344154570 403943568 /nfs/dbraw/zinc/94/35/68/403943568.db2.gz PARLSBVMIFKOAO-DFQSSKMNSA-N 1 3 315.505 2.481 20 0 DEADHO CN(C)CCOc1cc(C[NH2+][C@@H]2CCOC3(CCC3)C2)ccn1 ZINC000295549114 403984624 /nfs/dbraw/zinc/98/46/24/403984624.db2.gz YGBWAZJSQNGEOX-MRXNPFEDSA-N 1 3 319.449 2.213 20 0 DEADHO C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000351886445 403985592 /nfs/dbraw/zinc/98/55/92/403985592.db2.gz KEHDLYJYRZIPCP-RYQLBKOJSA-N 1 3 315.461 2.107 20 0 DEADHO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)C12CCC2 ZINC000362032686 286405575 /nfs/dbraw/zinc/40/55/75/286405575.db2.gz PDFKUMSGWJMXJO-RYQLBKOJSA-N 1 3 321.509 2.092 20 0 DEADHO CC(C)N1CC[C@H](C[NH2+]C2CCN(c3ccccn3)CC2)C1 ZINC000314866140 404002399 /nfs/dbraw/zinc/00/23/99/404002399.db2.gz FLVAQNZJCJWVQE-MRXNPFEDSA-N 1 3 302.466 2.370 20 0 DEADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000362969282 404029290 /nfs/dbraw/zinc/02/92/90/404029290.db2.gz KFXLCOIVRWIBDX-RDJZCZTQSA-N 1 3 317.477 2.211 20 0 DEADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000362969282 404029298 /nfs/dbraw/zinc/02/92/98/404029298.db2.gz KFXLCOIVRWIBDX-RDJZCZTQSA-N 1 3 317.477 2.211 20 0 DEADHO CC(C)N1CCN(CCC[NH2+][C@@H]2CCC[C@@H]2OC(F)F)CC1 ZINC000348521481 404076488 /nfs/dbraw/zinc/07/64/88/404076488.db2.gz QGAMLJVMNYWFRK-CABCVRRESA-N 1 3 319.440 2.152 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000290207193 404081879 /nfs/dbraw/zinc/08/18/79/404081879.db2.gz RWILVAOKHVXGHN-UAGQMJEPSA-N 1 3 303.450 2.011 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000290105697 404043268 /nfs/dbraw/zinc/04/32/68/404043268.db2.gz YAQVEFQDGTYZOH-SQNIBIBYSA-N 1 3 315.461 2.155 20 0 DEADHO COC1CCN(C(C)(C)C[NH2+]C2CCN(C(C)C)CC2)CC1 ZINC000341584611 404052184 /nfs/dbraw/zinc/05/21/84/404052184.db2.gz FUDYOJXDZPPBEQ-UHFFFAOYSA-N 1 3 311.514 2.338 20 0 DEADHO CC1CC[NH+](C[C@H](O)CNC[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348262346 404054800 /nfs/dbraw/zinc/05/48/00/404054800.db2.gz QVTYWEWDOKYGHO-GUDVDZBRSA-N 1 3 302.462 2.473 20 0 DEADHO OC[C@@H]1CCC[C@H](C[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000320999661 404070787 /nfs/dbraw/zinc/07/07/87/404070787.db2.gz ZLVSQDCOLDIXHU-JKSUJKDBSA-N 1 3 303.450 2.439 20 0 DEADHO C[N@H+](C[C@H](O)CN[C@H]1CCC[C@@H]1OCc1ccccc1)C1CC1 ZINC000352094406 404138237 /nfs/dbraw/zinc/13/82/37/404138237.db2.gz ZVBHXKMMVXLGJQ-QYZOEREBSA-N 1 3 318.461 2.169 20 0 DEADHO C[N@@H+](C[C@H](O)CN[C@H]1CCC[C@@H]1OCc1ccccc1)C1CC1 ZINC000352094406 404138246 /nfs/dbraw/zinc/13/82/46/404138246.db2.gz ZVBHXKMMVXLGJQ-QYZOEREBSA-N 1 3 318.461 2.169 20 0 DEADHO Cc1nccn1CCCC[N@H+]1CCN(C2CCOCC2)C[C@H]1C ZINC000369676306 404188569 /nfs/dbraw/zinc/18/85/69/404188569.db2.gz NYCPADXZKMSTGC-MRXNPFEDSA-N 1 3 320.481 2.157 20 0 DEADHO Cc1nccn1CCCC[N@@H+]1CCN(C2CCOCC2)C[C@H]1C ZINC000369676306 404188576 /nfs/dbraw/zinc/18/85/76/404188576.db2.gz NYCPADXZKMSTGC-MRXNPFEDSA-N 1 3 320.481 2.157 20 0 DEADHO C[C@@H]([NH2+]CCc1cnccn1)c1cccc(OCCN(C)C)c1 ZINC000341885437 404235131 /nfs/dbraw/zinc/23/51/31/404235131.db2.gz XFNBUOCNUKRIPV-OAHLLOKOSA-N 1 3 314.433 2.310 20 0 DEADHO C(CN1CCCCC1)C[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000363993278 404279000 /nfs/dbraw/zinc/27/90/00/404279000.db2.gz CLIIDOZKGDSYHJ-UHFFFAOYSA-N 1 3 323.525 2.297 20 0 DEADHO C(CN1CCC(CCN2CCOCC2)CC1)C[NH+]1CCCCC1 ZINC000363993278 404279002 /nfs/dbraw/zinc/27/90/02/404279002.db2.gz CLIIDOZKGDSYHJ-UHFFFAOYSA-N 1 3 323.525 2.297 20 0 DEADHO [NH3+][C@@H]1CCC[C@H]2CN(CCC(=O)Nc3cc(F)cc(F)c3)C[C@H]21 ZINC000342096132 404364227 /nfs/dbraw/zinc/36/42/27/404364227.db2.gz GTMWCOLWWJSGOH-IUIKQTSFSA-N 1 3 323.387 2.353 20 0 DEADHO c1ccc(N2CC[C@@H]([NH2+]C3CCN(c4ccncc4)CC3)C2)nc1 ZINC000291475146 404394450 /nfs/dbraw/zinc/39/44/50/404394450.db2.gz PTKDJXANHQJOGV-QGZVFWFLSA-N 1 3 323.444 2.314 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H](CO)C(C)C)CC1 ZINC000342192621 404432076 /nfs/dbraw/zinc/43/20/76/404432076.db2.gz BBQZRFFCDIJGGB-GOSISDBHSA-N 1 3 319.493 2.183 20 0 DEADHO C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCC(C[NH+](C)C)CC1 ZINC000350953235 404496267 /nfs/dbraw/zinc/49/62/67/404496267.db2.gz VQZZYMSHWOVUQY-INIZCTEOSA-N 1 3 317.477 2.307 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000329745317 404439291 /nfs/dbraw/zinc/43/92/91/404439291.db2.gz YHHQURXUWHRSFR-BETUJISGSA-N 1 3 313.405 2.293 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000329745317 404439296 /nfs/dbraw/zinc/43/92/96/404439296.db2.gz YHHQURXUWHRSFR-BETUJISGSA-N 1 3 313.405 2.293 20 0 DEADHO C[C@H](NC[C@@H](O)COCc1cccs1)C(C)(C)C[NH+](C)C ZINC000567464219 292315287 /nfs/dbraw/zinc/31/52/87/292315287.db2.gz KCZFDBHCKRMLAE-UONOGXRCSA-N 1 3 314.495 2.192 20 0 DEADHO CC[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)[C@@H]1CC1(C)C ZINC000414199814 404547116 /nfs/dbraw/zinc/54/71/16/404547116.db2.gz RLWAFMZHZWHMDO-DLBZAZTESA-N 1 3 323.525 2.197 20 0 DEADHO CCCC(CCC)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414207305 404549002 /nfs/dbraw/zinc/54/90/02/404549002.db2.gz ZLDRWQHQJYQSLZ-UHFFFAOYSA-N 1 3 311.514 2.341 20 0 DEADHO C[N@@H+](Cc1ccc(Cl)s1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414678176 404705951 /nfs/dbraw/zinc/70/59/51/404705951.db2.gz JTPAJTGKFBTWMH-NSHDSACASA-N 1 3 315.870 2.031 20 0 DEADHO C[N@H+](Cc1ccc(Cl)s1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414678176 404705953 /nfs/dbraw/zinc/70/59/53/404705953.db2.gz JTPAJTGKFBTWMH-NSHDSACASA-N 1 3 315.870 2.031 20 0 DEADHO CC1CCC(O)(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000374422825 404706640 /nfs/dbraw/zinc/70/66/40/404706640.db2.gz SPKPYDOLKCZXLD-NNCLKIPCSA-N 1 3 310.482 2.111 20 0 DEADHO C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](c1ccccc1)N(C)C ZINC000365612728 404699776 /nfs/dbraw/zinc/69/97/76/404699776.db2.gz YUXAPKDVXMZKEL-NVXWUHKLSA-N 1 3 315.461 2.422 20 0 DEADHO CC(C)CCNC(=O)[C@H](C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374165902 404700409 /nfs/dbraw/zinc/70/04/09/404700409.db2.gz UYTKNCYGVDYIRG-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000357620230 404739788 /nfs/dbraw/zinc/73/97/88/404739788.db2.gz ULPAIASBGDBVEJ-HNNXBMFYSA-N 1 3 320.481 2.276 20 0 DEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000357620230 404739791 /nfs/dbraw/zinc/73/97/91/404739791.db2.gz ULPAIASBGDBVEJ-HNNXBMFYSA-N 1 3 320.481 2.276 20 0 DEADHO COc1ccc(CNCC[C@H]2CC[NH2+]C2)c(OC(F)F)c1 ZINC000414824569 404742877 /nfs/dbraw/zinc/74/28/77/404742877.db2.gz AWDCKSWIIJSSHZ-LLVKDONJSA-N 1 3 300.349 2.386 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000358105756 404753941 /nfs/dbraw/zinc/75/39/41/404753941.db2.gz ISUYCXRQXGAHPA-GDBMZVCRSA-N 1 3 310.486 2.031 20 0 DEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000358105756 404753946 /nfs/dbraw/zinc/75/39/46/404753946.db2.gz ISUYCXRQXGAHPA-GDBMZVCRSA-N 1 3 310.486 2.031 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)N(C)C ZINC000358108175 404754300 /nfs/dbraw/zinc/75/43/00/404754300.db2.gz VJWUIUVJZNDXTA-ZMSDIMECSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)N(C)C ZINC000358108175 404754302 /nfs/dbraw/zinc/75/43/02/404754302.db2.gz VJWUIUVJZNDXTA-ZMSDIMECSA-N 1 3 309.498 2.342 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(C2CCCC2)CC1 ZINC000358290734 404759190 /nfs/dbraw/zinc/75/91/90/404759190.db2.gz IGHRIVHHHLBAKJ-QGZVFWFLSA-N 1 3 322.497 2.131 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(C2CCCC2)CC1 ZINC000358290734 404759195 /nfs/dbraw/zinc/75/91/95/404759195.db2.gz IGHRIVHHHLBAKJ-QGZVFWFLSA-N 1 3 322.497 2.131 20 0 DEADHO O=C1[C@@H](N2CCC3(C2)CC[NH2+]CC3)CCCN1c1ccccc1 ZINC000358518895 404764821 /nfs/dbraw/zinc/76/48/21/404764821.db2.gz RTPZSDAOGIXNDI-KRWDZBQOSA-N 1 3 313.445 2.258 20 0 DEADHO C[C@H](C[NH+](C)C)NC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000358529739 404765607 /nfs/dbraw/zinc/76/56/07/404765607.db2.gz QTNYVHTXRVZNIW-OAHLLOKOSA-N 1 3 312.502 2.090 20 0 DEADHO NC[C@H](NC(=O)[C@H]1CCCCC[NH2+]1)c1ccc2ccccc2c1 ZINC000365707245 404708971 /nfs/dbraw/zinc/70/89/71/404708971.db2.gz GVSCFFAFWRFGCE-MSOLQXFVSA-N 1 3 311.429 2.488 20 0 DEADHO Cc1nc(N2CCN(C[C@H]3CC[NH2+][C@H](C)C3)CC2)sc1C ZINC000414711418 404713865 /nfs/dbraw/zinc/71/38/65/404713865.db2.gz SLEZIIJYZBIXIY-DOMZBBRYSA-N 1 3 308.495 2.270 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[NH2+]C2(c3cccc(Cl)c3)CC2)C1 ZINC000414714313 404714767 /nfs/dbraw/zinc/71/47/67/404714767.db2.gz VBSPPEWXEAVTCJ-ZDUSSCGKSA-N 1 3 321.852 2.116 20 0 DEADHO CC(C)(C)[C@@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414717191 404715477 /nfs/dbraw/zinc/71/54/77/404715477.db2.gz XVIHKKMXYVDZNX-HZPDHXFCSA-N 1 3 309.498 2.332 20 0 DEADHO CC(C)(C)[C@@H]1CCC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414717191 404715479 /nfs/dbraw/zinc/71/54/79/404715479.db2.gz XVIHKKMXYVDZNX-HZPDHXFCSA-N 1 3 309.498 2.332 20 0 DEADHO CCN(CC(=O)NCc1ccc(F)cc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414728244 404718429 /nfs/dbraw/zinc/71/84/29/404718429.db2.gz CLIHZHMXXOBZRV-GOEBONIOSA-N 1 3 321.440 2.152 20 0 DEADHO C[C@@H](C(=O)N1CCC2(CCC[N@@H+]2C)CC1)N1CCCCCC1 ZINC000375200605 404719237 /nfs/dbraw/zinc/71/92/37/404719237.db2.gz IFDIPEFWUHEJKA-INIZCTEOSA-N 1 3 307.482 2.338 20 0 DEADHO C[C@@H](C(=O)N1CCC2(CCC[N@H+]2C)CC1)N1CCCCCC1 ZINC000375200605 404719242 /nfs/dbraw/zinc/71/92/42/404719242.db2.gz IFDIPEFWUHEJKA-INIZCTEOSA-N 1 3 307.482 2.338 20 0 DEADHO CCCC1CCC([N@H+](C)C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414740706 404721238 /nfs/dbraw/zinc/72/12/38/404721238.db2.gz DNTUALYGIOKWRH-AQFXKWCLSA-N 1 3 309.498 2.474 20 0 DEADHO CCCC1CCC([N@@H+](C)C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414740706 404721243 /nfs/dbraw/zinc/72/12/43/404721243.db2.gz DNTUALYGIOKWRH-AQFXKWCLSA-N 1 3 309.498 2.474 20 0 DEADHO C[C@H]1CC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)CC12CCCCC2 ZINC000414759494 404725665 /nfs/dbraw/zinc/72/56/65/404725665.db2.gz OMBOSZBTEPGDGE-DLBZAZTESA-N 1 3 321.509 2.476 20 0 DEADHO C[C@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)CC12CCCCC2 ZINC000414759494 404725668 /nfs/dbraw/zinc/72/56/68/404725668.db2.gz OMBOSZBTEPGDGE-DLBZAZTESA-N 1 3 321.509 2.476 20 0 DEADHO COCCOc1ccccc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414764351 404727499 /nfs/dbraw/zinc/72/74/99/404727499.db2.gz DEJJPNQVFUQOSF-IYBDPMFKSA-N 1 3 304.434 2.143 20 0 DEADHO CN1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000366718892 404836182 /nfs/dbraw/zinc/83/61/82/404836182.db2.gz CNTCPCRZAPKIHK-KRWDZBQOSA-N 1 3 307.482 2.242 20 0 DEADHO CN1CCC(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000366718892 404836185 /nfs/dbraw/zinc/83/61/85/404836185.db2.gz CNTCPCRZAPKIHK-KRWDZBQOSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000353430383 404829012 /nfs/dbraw/zinc/82/90/12/404829012.db2.gz ABIFVJYRXQCXGC-INIZCTEOSA-N 1 3 322.497 2.131 20 0 DEADHO C[C@H]([NH2+]C(C)(C)CNC(=O)C(N)C(F)(F)F)c1ccccc1 ZINC000353441086 404832330 /nfs/dbraw/zinc/83/23/30/404832330.db2.gz DYYHYYVPDQRDLV-CMPLNLGQSA-N 1 3 317.355 2.122 20 0 DEADHO C[C@@H]1CCN(C(=O)Nc2ccccc2CCN(C)C)[C@@H](C[NH3+])C1 ZINC000415554038 404881264 /nfs/dbraw/zinc/88/12/64/404881264.db2.gz AXTQTWSXRQIZKU-GDBMZVCRSA-N 1 3 318.465 2.382 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)NC1(C)CC[NH2+]CC1 ZINC000415554157 404881906 /nfs/dbraw/zinc/88/19/06/404881906.db2.gz BASHAAFVAXFIGD-UHFFFAOYSA-N 1 3 304.438 2.054 20 0 DEADHO C[C@@H]1CN(C(=O)Nc2ccccc2CC[NH+](C)C)[C@H](C)CN1 ZINC000415572789 404886796 /nfs/dbraw/zinc/88/67/96/404886796.db2.gz NOQRCEZDTAMCSG-ZIAGYGMSSA-N 1 3 304.438 2.005 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000353641094 404898850 /nfs/dbraw/zinc/89/88/50/404898850.db2.gz OHWORFOMSSTDTE-LJQANCHMSA-N 1 3 317.477 2.486 20 0 DEADHO CCCn1nc(C)c(CN2CCC(OCC[NH+](C)C)CC2)c1C ZINC000353522754 404855808 /nfs/dbraw/zinc/85/58/08/404855808.db2.gz WEVMDEAWVZXMAR-UHFFFAOYSA-N 1 3 322.497 2.453 20 0 DEADHO O=C(C[NH2+][C@@H]1CCC[C@H]1C1CC1)NCCN1CCCCCC1 ZINC000353666998 404909555 /nfs/dbraw/zinc/90/95/55/404909555.db2.gz BFZJZNVHEQORGS-DLBZAZTESA-N 1 3 307.482 2.147 20 0 DEADHO CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000415911900 404969694 /nfs/dbraw/zinc/96/96/94/404969694.db2.gz ZFBCTOAZVPSXSJ-CZUORRHYSA-N 1 3 304.438 2.400 20 0 DEADHO CCCN(C(=O)NCC(C)(C)N1CCCCC1)C1CC[NH2+]CC1 ZINC000416830394 404926552 /nfs/dbraw/zinc/92/65/52/404926552.db2.gz OGJBJRKXKACBBC-UHFFFAOYSA-N 1 3 324.513 2.425 20 0 DEADHO CC[C@@H]([NH3+])CNC(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000416833741 404928176 /nfs/dbraw/zinc/92/81/76/404928176.db2.gz CWBVQZWQWYNWEU-CVEARBPZSA-N 1 3 306.454 2.106 20 0 DEADHO C[C@@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C[C@@H]1C[NH3+] ZINC000424010932 404970645 /nfs/dbraw/zinc/97/06/45/404970645.db2.gz IUXQVEBMSIPKKH-QAPCUYQASA-N 1 3 315.461 2.339 20 0 DEADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc2c(c1)CNC2 ZINC000416002842 405002440 /nfs/dbraw/zinc/00/24/40/405002440.db2.gz DLJXCUOZMQGFBY-SUMWQHHRSA-N 1 3 314.433 2.380 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H](C)C(C)(C)C2)CC1 ZINC000354031912 405011080 /nfs/dbraw/zinc/01/10/80/405011080.db2.gz QXOURPHYYIXMHZ-HNNXBMFYSA-N 1 3 309.498 2.343 20 0 DEADHO CCN(Cc1ccc(OCC(=O)OC)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435394921 404977032 /nfs/dbraw/zinc/97/70/32/404977032.db2.gz QESARGJGSUJBOQ-INIZCTEOSA-N 1 3 320.433 2.202 20 0 DEADHO CN(CCCOc1ccc2c(c1)OCO2)[C@@H]1CCC[NH2+]CC1 ZINC000435623215 404996822 /nfs/dbraw/zinc/99/68/22/404996822.db2.gz GNNSJXOOIROROM-CQSZACIVSA-N 1 3 306.406 2.258 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C[NH3+])C1CC1)c1ccsc1 ZINC000417008745 404999189 /nfs/dbraw/zinc/99/91/89/404999189.db2.gz MNQLSGWALKXQEX-LSDHHAIUSA-N 1 3 324.494 2.168 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)NCC[C@H](C)[NH3+])c1ccsc1 ZINC000417010931 405000375 /nfs/dbraw/zinc/00/03/75/405000375.db2.gz QSVRXJJOVZPNTM-JSGCOSHPSA-N 1 3 312.483 2.168 20 0 DEADHO CC(C)C[C@@H](C)N(C)C(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424287558 405058521 /nfs/dbraw/zinc/05/85/21/405058521.db2.gz IZYKBNGFNJHUJZ-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO COCC[N@H+](C)CCCNCc1c[nH]nc1-c1ccsc1 ZINC000436283315 405066632 /nfs/dbraw/zinc/06/66/32/405066632.db2.gz UKPBMPOXJYIUGQ-UHFFFAOYSA-N 1 3 308.451 2.196 20 0 DEADHO COCC[N@@H+](C)CCCNCc1c[nH]nc1-c1ccsc1 ZINC000436283315 405066635 /nfs/dbraw/zinc/06/66/35/405066635.db2.gz UKPBMPOXJYIUGQ-UHFFFAOYSA-N 1 3 308.451 2.196 20 0 DEADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCNC(=O)CCCc1ccccc1 ZINC000424315407 405067689 /nfs/dbraw/zinc/06/76/89/405067689.db2.gz CCQDZWCGXCZBBC-SJLPKXTDSA-N 1 3 317.477 2.055 20 0 DEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCNC(=O)CCCc1ccccc1 ZINC000424315407 405067692 /nfs/dbraw/zinc/06/76/92/405067692.db2.gz CCQDZWCGXCZBBC-SJLPKXTDSA-N 1 3 317.477 2.055 20 0 DEADHO CC(=O)NCCc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000424378488 405077473 /nfs/dbraw/zinc/07/74/73/405077473.db2.gz STXGUYFPUDNXCS-FSPWUOQZSA-N 1 3 303.450 2.286 20 0 DEADHO CC(C)[C@H](C(=O)NCCN1CCC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000354165096 405077848 /nfs/dbraw/zinc/07/78/48/405077848.db2.gz DOSAHKHFQMMKAG-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN(C)[C@@H]2CCC(C)(C)C2)CC1 ZINC000361472466 405087112 /nfs/dbraw/zinc/08/71/12/405087112.db2.gz XVEGZVDFKSKOJZ-MRXNPFEDSA-N 1 3 309.498 2.486 20 0 DEADHO Cc1cc(CN)cc(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000424426106 405091172 /nfs/dbraw/zinc/09/11/72/405091172.db2.gz LIXNTHKOZDFTEB-MRXNPFEDSA-N 1 3 304.438 2.402 20 0 DEADHO CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CCNC(C)(C)C1)c1ccco1 ZINC000418166772 405115014 /nfs/dbraw/zinc/11/50/14/405115014.db2.gz LTKFNWILPYIYQT-KBPBESRZSA-N 1 3 322.453 2.102 20 0 DEADHO C[C@H]([NH3+])CCNC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000418157271 405115120 /nfs/dbraw/zinc/11/51/20/405115120.db2.gz BHIDYTIOVHUBGF-HNNXBMFYSA-N 1 3 310.486 2.069 20 0 DEADHO C[C@H](CCCC[NH3+])NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000418673036 405161261 /nfs/dbraw/zinc/16/12/61/405161261.db2.gz NROFDEHWRGJVOO-OAHLLOKOSA-N 1 3 310.486 2.164 20 0 DEADHO C[C@@H](CNC(=O)[C@H]1CCCN1C1CCCC1)C[NH+]1CCCC1 ZINC000438538520 405250426 /nfs/dbraw/zinc/25/04/26/405250426.db2.gz CERYNKUVLAVGHQ-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)NC[C@H](C)[NH+](C)C)c1ccccc1 ZINC000454199850 405308668 /nfs/dbraw/zinc/30/86/68/405308668.db2.gz WEIBNMXMQJYHNB-RDJZCZTQSA-N 1 3 320.481 2.319 20 0 DEADHO CCN(CC[C@@H]1CC[NH2+]C1)[C@H]1CCN(c2ccccc2)C1=O ZINC000420299454 405310609 /nfs/dbraw/zinc/31/06/09/405310609.db2.gz ISNRKUCAIDWAON-RDJZCZTQSA-N 1 3 301.434 2.113 20 0 DEADHO CN(CC[C@@H]1CCC[NH2+]C1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000420298475 405310773 /nfs/dbraw/zinc/31/07/73/405310773.db2.gz HELYEPKOYZWWOW-YOEHRIQHSA-N 1 3 319.424 2.253 20 0 DEADHO C[C@H]([NH3+])C1CCN([C@@H](C)C(=O)N2CCc3ccccc3C2)CC1 ZINC000420302138 405311415 /nfs/dbraw/zinc/31/14/15/405311415.db2.gz WHAJYOYSNIMGNV-GJZGRUSLSA-N 1 3 315.461 2.019 20 0 DEADHO CCOc1ccccc1NC(=O)CCN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000420314405 405316234 /nfs/dbraw/zinc/31/62/34/405316234.db2.gz VTTDORGZZNCDIM-KBPBESRZSA-N 1 3 305.422 2.083 20 0 DEADHO COC(=O)c1ccc(F)c(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420321110 405318830 /nfs/dbraw/zinc/31/88/30/405318830.db2.gz CHSLWYDHFVAYFZ-HUUCEWRRSA-N 1 3 320.408 2.434 20 0 DEADHO Cc1ccc(C)c(OCCN2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420326303 405320015 /nfs/dbraw/zinc/32/00/15/405320015.db2.gz JSMXUEVCDMNOTA-KRWDZBQOSA-N 1 3 318.461 2.370 20 0 DEADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@H](n3cccn3)C2)cc1 ZINC000420328159 405321250 /nfs/dbraw/zinc/32/12/50/405321250.db2.gz ZMEJGWAMMQMOKS-IRXDYDNUSA-N 1 3 314.433 2.271 20 0 DEADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@H](n3cccn3)C2)cc1 ZINC000420328159 405321254 /nfs/dbraw/zinc/32/12/54/405321254.db2.gz ZMEJGWAMMQMOKS-IRXDYDNUSA-N 1 3 314.433 2.271 20 0 DEADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@H](n3cccn3)C2)cc1 ZINC000420328159 405321257 /nfs/dbraw/zinc/32/12/57/405321257.db2.gz ZMEJGWAMMQMOKS-IRXDYDNUSA-N 1 3 314.433 2.271 20 0 DEADHO Cc1ccc(NC(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420333018 405323335 /nfs/dbraw/zinc/32/33/35/405323335.db2.gz DWYPUEZDQPMTHM-HOTGVXAUSA-N 1 3 301.434 2.255 20 0 DEADHO C[C@@H](NC(=O)[C@@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000420347310 405327832 /nfs/dbraw/zinc/32/78/32/405327832.db2.gz YAESBKMACFOAGX-AHCXZYCDSA-N 1 3 315.461 2.184 20 0 DEADHO COc1ccccc1[C@@H]1CC[C@@H](C)CN1CCN1CC[NH2+]CC1 ZINC000420372600 405336145 /nfs/dbraw/zinc/33/61/45/405336145.db2.gz LOJGVOLWZDMJLV-AEFFLSMTSA-N 1 3 317.477 2.373 20 0 DEADHO CCC1(CC)[C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C[C@H]1OC ZINC000442878830 405337400 /nfs/dbraw/zinc/33/74/00/405337400.db2.gz VBLHHZKMSCWPHD-HZPDHXFCSA-N 1 3 311.514 2.196 20 0 DEADHO CCOc1ccccc1NC(=O)CCN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420407750 405345529 /nfs/dbraw/zinc/34/55/29/405345529.db2.gz OPYLXVPWGAMPKP-LSDHHAIUSA-N 1 3 319.449 2.331 20 0 DEADHO [NH3+]CC1(O)CCN(CCCOc2cccc3ccccc32)CC1 ZINC000420408941 405345918 /nfs/dbraw/zinc/34/59/18/405345918.db2.gz XIJOSKMEQWEZIR-UHFFFAOYSA-N 1 3 314.429 2.394 20 0 DEADHO C[C@@H]1CCN(CCCOc2ccc3c(c2)OCO3)C[C@@H]1C[NH3+] ZINC000420408815 405346148 /nfs/dbraw/zinc/34/61/48/405346148.db2.gz PYZHQXIGVAFJOL-KGLIPLIRSA-N 1 3 306.406 2.101 20 0 DEADHO C[C@@H](C(=O)NCC1CC[NH+](C2CC2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000446445355 405382787 /nfs/dbraw/zinc/38/27/87/405382787.db2.gz TYELNJAQSICIOM-ZNMIVQPWSA-N 1 3 307.482 2.238 20 0 DEADHO CN(C[C@H]1CCCN1C)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000420925528 405406720 /nfs/dbraw/zinc/40/67/20/405406720.db2.gz YSBVESBWLOKIGC-HUUCEWRRSA-N 1 3 312.502 2.088 20 0 DEADHO CN(C[C@@H]1CCCN1C)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000420925527 405407269 /nfs/dbraw/zinc/40/72/69/405407269.db2.gz YSBVESBWLOKIGC-GJZGRUSLSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448519785 405421364 /nfs/dbraw/zinc/42/13/64/405421364.db2.gz KYCLYFIRUKGLLJ-KYHPRHEASA-N 1 3 319.493 2.335 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448519785 405421366 /nfs/dbraw/zinc/42/13/66/405421366.db2.gz KYCLYFIRUKGLLJ-KYHPRHEASA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(C)CC[C@H]2C)C1 ZINC000448468680 405421588 /nfs/dbraw/zinc/42/15/88/405421588.db2.gz VYWOLRKKJXVOKN-IAGOWNOFSA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCN(C)CC[C@H]2C)C1 ZINC000448468680 405421590 /nfs/dbraw/zinc/42/15/90/405421590.db2.gz VYWOLRKKJXVOKN-IAGOWNOFSA-N 1 3 324.513 2.090 20 0 DEADHO CCCc1nc(C)c(CN(C)CCC[NH+]2CCN(C)CC2)o1 ZINC000428293165 405422852 /nfs/dbraw/zinc/42/28/52/405422852.db2.gz FYCLERBAFFMJHB-UHFFFAOYSA-N 1 3 308.470 2.005 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CCC(C)(C(C)C)CC2)CC1 ZINC000426746209 405377457 /nfs/dbraw/zinc/37/74/57/405377457.db2.gz XOIKXFYEDSXRCI-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CSc1ccccc1NC(=O)CCN[C@@](C)(C[NH3+])C1CC1 ZINC000430566593 405459056 /nfs/dbraw/zinc/45/90/56/405459056.db2.gz CNWYYMHNXFUYHO-INIZCTEOSA-N 1 3 307.463 2.454 20 0 DEADHO C[C@@H]([NH3+])[C@H]1CCCN(CCC(=O)N2CCc3ccccc32)C1 ZINC000430595647 405463716 /nfs/dbraw/zinc/46/37/16/405463716.db2.gz YEBWSRQBTIJWMC-ZBFHGGJFSA-N 1 3 301.434 2.025 20 0 DEADHO CSc1ccccc1NC(=O)CCN1CCC[C@@H](C[NH3+])C1 ZINC000430619169 405467239 /nfs/dbraw/zinc/46/72/39/405467239.db2.gz ZPQFZUMLODGMQW-ZDUSSCGKSA-N 1 3 307.463 2.408 20 0 DEADHO CCc1nocc1CN1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000421365711 405475780 /nfs/dbraw/zinc/47/57/80/405475780.db2.gz BYCPSQQTZWZLAB-UHFFFAOYSA-N 1 3 320.481 2.229 20 0 DEADHO CCc1nocc1CN1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000421365711 405475787 /nfs/dbraw/zinc/47/57/87/405475787.db2.gz BYCPSQQTZWZLAB-UHFFFAOYSA-N 1 3 320.481 2.229 20 0 DEADHO CC[NH+]1CCC(N2CCCN(Cc3cccn3C)CC2)CC1 ZINC000421379260 405480910 /nfs/dbraw/zinc/48/09/10/405480910.db2.gz UEOJDMUEOGYKCU-UHFFFAOYSA-N 1 3 304.482 2.017 20 0 DEADHO C[NH+](C)C1CCC(NC(=O)NC[C@@H]2CCN2C2CCCC2)CC1 ZINC000528022179 405481979 /nfs/dbraw/zinc/48/19/79/405481979.db2.gz HDQQCXGOFMGDMQ-DQPZFDDXSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)CS1 ZINC000638462389 405485767 /nfs/dbraw/zinc/48/57/67/405485767.db2.gz MGOAPNFVLXFFMV-HOTGVXAUSA-N 1 3 320.506 2.077 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458741900 405566764 /nfs/dbraw/zinc/56/67/64/405566764.db2.gz NEJOOWKNXQXEDN-CVEARBPZSA-N 1 3 324.513 2.138 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458741900 405566770 /nfs/dbraw/zinc/56/67/70/405566770.db2.gz NEJOOWKNXQXEDN-CVEARBPZSA-N 1 3 324.513 2.138 20 0 DEADHO Cn1ncc(CN2CCC3(CC[NH2+]C3)CC2)c1C(F)(F)F ZINC000431040778 405566988 /nfs/dbraw/zinc/56/69/88/405566988.db2.gz PCARPMXWQZDPNU-UHFFFAOYSA-N 1 3 302.344 2.014 20 0 DEADHO O=C1C[C@@H](NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)CCCN1 ZINC000638522179 405524035 /nfs/dbraw/zinc/52/40/35/405524035.db2.gz NVMBSPCDIFVLRS-IRXDYDNUSA-N 1 3 307.482 2.289 20 0 DEADHO O=C1C[C@@H](NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CCCN1 ZINC000638522179 405524041 /nfs/dbraw/zinc/52/40/41/405524041.db2.gz NVMBSPCDIFVLRS-IRXDYDNUSA-N 1 3 307.482 2.289 20 0 DEADHO Cc1ccc(CNC(=O)[C@H](C)N2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000430924981 405529476 /nfs/dbraw/zinc/52/94/76/405529476.db2.gz CDVJSOSSGKHHRA-CABCVRRESA-N 1 3 303.450 2.059 20 0 DEADHO C[C@@H]([NH3+])C1CCN(CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000430935775 405534841 /nfs/dbraw/zinc/53/48/41/405534841.db2.gz RJHXESDFBASOPI-KGLIPLIRSA-N 1 3 321.440 2.404 20 0 DEADHO NCc1cccc2c1N(C(=O)C[C@@H]1CCC[NH2+]CC1)CCC2 ZINC000638545116 405539056 /nfs/dbraw/zinc/53/90/56/405539056.db2.gz PABUZIGRIQLCFK-CQSZACIVSA-N 1 3 301.434 2.204 20 0 DEADHO [NH3+]Cc1cccc2c1N(C(=O)c1ccc3c(c1)CNC3)CCC2 ZINC000638545511 405539597 /nfs/dbraw/zinc/53/95/97/405539597.db2.gz VEWUCUVWAPRABS-UHFFFAOYSA-N 1 3 307.397 2.342 20 0 DEADHO C[C@H]([NH3+])C1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000430946852 405541381 /nfs/dbraw/zinc/54/13/81/405541381.db2.gz BWQHSBJARHDWFR-KKUMJFAQSA-N 1 3 303.450 2.312 20 0 DEADHO CCOC(=O)N(C)C1CC[NH+](CC[C@@H]2CCCCN2C)CC1 ZINC000493975286 405619544 /nfs/dbraw/zinc/61/95/44/405619544.db2.gz RDIOIOSJSFFCCP-HNNXBMFYSA-N 1 3 311.470 2.414 20 0 DEADHO C[C@H](NC(=O)NC(C)(C)C[NH+](C)C)[C@@H](c1ccccc1)N(C)C ZINC000458773731 405582962 /nfs/dbraw/zinc/58/29/62/405582962.db2.gz OBWLDOFXRCFHQX-HOCLYGCPSA-N 1 3 320.481 2.317 20 0 DEADHO C[C@H](CCN[C@@H]1CCO[C@@H]1C1CC1)[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000580161212 405595478 /nfs/dbraw/zinc/59/54/78/405595478.db2.gz FDEIKFGGQSXPQC-WYGQYTNYSA-N 1 3 308.466 2.079 20 0 DEADHO C[C@H](CC[NH2+][C@@H]1CCO[C@@H]1C1CC1)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000580161212 405595482 /nfs/dbraw/zinc/59/54/82/405595482.db2.gz FDEIKFGGQSXPQC-WYGQYTNYSA-N 1 3 308.466 2.079 20 0 DEADHO CN[C@@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000580570412 405647073 /nfs/dbraw/zinc/64/70/73/405647073.db2.gz XUCZLNMLOAJNLM-GJZGRUSLSA-N 1 3 303.450 2.143 20 0 DEADHO CN[C@@H](C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000580570412 405647080 /nfs/dbraw/zinc/64/70/80/405647080.db2.gz XUCZLNMLOAJNLM-GJZGRUSLSA-N 1 3 303.450 2.143 20 0 DEADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCN2CCC(O)CC2)CC1 ZINC000449643972 405654387 /nfs/dbraw/zinc/65/43/87/405654387.db2.gz CTIJKTTUTGJKNH-VQIMIIECSA-N 1 3 323.525 2.076 20 0 DEADHO Cc1ccc(CSCCNC[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000580709910 405670541 /nfs/dbraw/zinc/67/05/41/405670541.db2.gz QOVSMTGGVCXSHB-KRWDZBQOSA-N 1 3 308.491 2.273 20 0 DEADHO Cc1ccc(CSCCNC[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000580709910 405670548 /nfs/dbraw/zinc/67/05/48/405670548.db2.gz QOVSMTGGVCXSHB-KRWDZBQOSA-N 1 3 308.491 2.273 20 0 DEADHO C[C@@H]1C[C@H](C)N(CCc2nc3ccccc3n2C)C[C@@H]1C[NH3+] ZINC000422625245 405673964 /nfs/dbraw/zinc/67/39/64/405673964.db2.gz BAWIDDMCIKUGKN-ILXRZTDVSA-N 1 3 300.450 2.421 20 0 DEADHO C[C@@H]1C[C@H](C)[N@H+](CCc2nc3ccccc3n2C)C[C@@H]1CN ZINC000422625245 405673973 /nfs/dbraw/zinc/67/39/73/405673973.db2.gz BAWIDDMCIKUGKN-ILXRZTDVSA-N 1 3 300.450 2.421 20 0 DEADHO C[C@@H]1C[C@H](C)[N@@H+](CCc2nc3ccccc3n2C)C[C@@H]1CN ZINC000422625245 405673981 /nfs/dbraw/zinc/67/39/81/405673981.db2.gz BAWIDDMCIKUGKN-ILXRZTDVSA-N 1 3 300.450 2.421 20 0 DEADHO CCO[C@H]1C[C@@H](N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423168045 405710570 /nfs/dbraw/zinc/71/05/70/405710570.db2.gz UCHGFDDBBUHLLV-JSSFPYSZSA-N 1 3 302.418 2.399 20 0 DEADHO [NH3+]C[C@H]1CC[C@@H](NC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000449724283 405711508 /nfs/dbraw/zinc/71/15/08/405711508.db2.gz MVZPVAAHEGNMKZ-FUHWJXTLSA-N 1 3 315.461 2.142 20 0 DEADHO CCOc1ccc([C@@H](C)NCCN2CC[NH2+]CC2)cc1OCC ZINC000423200444 405720497 /nfs/dbraw/zinc/72/04/97/405720497.db2.gz FPBKZWWXOSBGAH-OAHLLOKOSA-N 1 3 321.465 2.040 20 0 DEADHO C[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)N(C)C ZINC000459049495 405714432 /nfs/dbraw/zinc/71/44/32/405714432.db2.gz YYAYMJVKOCZDOI-DLBZAZTESA-N 1 3 324.513 2.090 20 0 DEADHO CC[NH+](CC)CCC[C@H](C)NCc1cc2c(cn1)OCCO2 ZINC000638861932 405723802 /nfs/dbraw/zinc/72/38/02/405723802.db2.gz CNSNILSLUKKARQ-AWEZNQCLSA-N 1 3 307.438 2.453 20 0 DEADHO Clc1ccc2c(c1)[C@@H](NCCN1CC[NH2+]CC1)CCS2 ZINC000423210780 405724661 /nfs/dbraw/zinc/72/46/61/405724661.db2.gz XKTHJDMLVXJTRP-AWEZNQCLSA-N 1 3 311.882 2.372 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](NC[C@H](CO)Cc2c(F)cccc2Cl)C1 ZINC000583332291 405733457 /nfs/dbraw/zinc/73/34/57/405733457.db2.gz BOTBFTXWMAOZHV-UPJWGTAASA-N 1 3 314.832 2.490 20 0 DEADHO CC(C)N1CC[C@H](N(C)C(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC000459091302 405740523 /nfs/dbraw/zinc/74/05/23/405740523.db2.gz DZXHZVSAPJQSRV-KRWDZBQOSA-N 1 3 322.497 2.127 20 0 DEADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](N)C2CC2)c2ccccc21 ZINC000423325616 405761991 /nfs/dbraw/zinc/76/19/91/405761991.db2.gz QIQTZGMFAZAGLY-ZACQAIPSSA-N 1 3 302.418 2.495 20 0 DEADHO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1ccc2c(c1)OCC(=O)N2 ZINC000423273167 405744604 /nfs/dbraw/zinc/74/46/04/405744604.db2.gz IQJUQXUFGKHUKN-FPMFFAJLSA-N 1 3 303.406 2.186 20 0 DEADHO C[C@@H]1CCN[C@H](C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)C1 ZINC000423356790 405775322 /nfs/dbraw/zinc/77/53/22/405775322.db2.gz KPLIPXVNTQTUSI-XDNAFOTISA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CCN[C@H](C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)C1 ZINC000423356790 405775324 /nfs/dbraw/zinc/77/53/24/405775324.db2.gz KPLIPXVNTQTUSI-XDNAFOTISA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](NCC[C@H]1CCC[NH2+]1)c1cccc(OCCN(C)C)c1 ZINC000423378798 405783912 /nfs/dbraw/zinc/78/39/12/405783912.db2.gz ZYELVTZODWEXOI-DOTOQJQBSA-N 1 3 305.466 2.420 20 0 DEADHO C[NH+](C)CCCOc1cccc(NC(=O)[C@@H](N)C2CCC2)c1 ZINC000423396286 405789091 /nfs/dbraw/zinc/78/90/91/405789091.db2.gz BEESNMNCLQTNAQ-INIZCTEOSA-N 1 3 305.422 2.083 20 0 DEADHO Cc1ccc(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)c(OCCN(C)C)c1 ZINC000423411323 405795905 /nfs/dbraw/zinc/79/59/05/405795905.db2.gz FLWDALUAUBKYQM-CABCVRRESA-N 1 3 319.449 2.262 20 0 DEADHO CC(C)[C@H](C(=O)N1CCN(C2CCC(C)CC2)CC1)[C@H](C)[NH3+] ZINC000423416768 405798757 /nfs/dbraw/zinc/79/87/57/405798757.db2.gz GBSVSUQEIURLTC-XGHPGWEVSA-N 1 3 309.498 2.329 20 0 DEADHO COC[C@]1(CN[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CCC[NH2+]1 ZINC000423446907 405808551 /nfs/dbraw/zinc/80/85/51/405808551.db2.gz ZITUKDNAHPAUER-QXAKKESOSA-N 1 3 317.477 2.008 20 0 DEADHO CCc1ccc([C@@H](C)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)o1 ZINC000423456487 405811745 /nfs/dbraw/zinc/81/17/45/405811745.db2.gz NSKBWTSJXXPHCX-DWQUBVKVSA-N 1 3 319.449 2.139 20 0 DEADHO CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000639003711 405814344 /nfs/dbraw/zinc/81/43/44/405814344.db2.gz BXDFCQSVKYFGJG-PVAVHDDUSA-N 1 3 303.450 2.059 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)CCC(C)(C)[NH3+])C2)cc1 ZINC000639004373 405816663 /nfs/dbraw/zinc/81/66/63/405816663.db2.gz HEXSFILAZJENAT-INIZCTEOSA-N 1 3 303.450 2.203 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)CCC(C)(C)[NH3+])C2)cc1 ZINC000639004375 405816871 /nfs/dbraw/zinc/81/68/71/405816871.db2.gz HEXSFILAZJENAT-MRXNPFEDSA-N 1 3 303.450 2.203 20 0 DEADHO Cc1c([C@@H](C)N[C@H](C)CCC[NH3+])nnn1-c1ccc(F)cc1 ZINC000423471747 405817448 /nfs/dbraw/zinc/81/74/48/405817448.db2.gz ZRLKZFCZIWPHCN-VXGBXAGGSA-N 1 3 305.401 2.493 20 0 DEADHO CC(C)N1CC[C@@H](N(C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000457386492 405820628 /nfs/dbraw/zinc/82/06/28/405820628.db2.gz JQJCIGQZPYVEOJ-OAHLLOKOSA-N 1 3 324.513 2.420 20 0 DEADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000636128901 405764132 /nfs/dbraw/zinc/76/41/32/405764132.db2.gz OOOKVRDLRFWRPB-MJGOQNOKSA-N 1 3 315.461 2.109 20 0 DEADHO C[N@H+]1CC[C@H](CC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000636128901 405764137 /nfs/dbraw/zinc/76/41/37/405764137.db2.gz OOOKVRDLRFWRPB-MJGOQNOKSA-N 1 3 315.461 2.109 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])N(C)C)cc1 ZINC000423336435 405766052 /nfs/dbraw/zinc/76/60/52/405766052.db2.gz GWUNHXANECIDJG-XIRDDKMYSA-N 1 3 305.466 2.333 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H](N)c1ccccc1 ZINC000423338155 405766709 /nfs/dbraw/zinc/76/67/09/405766709.db2.gz KQWFJVFCONOMSZ-IXDOHACOSA-N 1 3 315.461 2.456 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H](N)c1ccccc1 ZINC000423338155 405766713 /nfs/dbraw/zinc/76/67/13/405766713.db2.gz KQWFJVFCONOMSZ-IXDOHACOSA-N 1 3 315.461 2.456 20 0 DEADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H]2CCOC[C@@H]2C)cc1 ZINC000423339301 405767722 /nfs/dbraw/zinc/76/77/22/405767722.db2.gz SGDBWTINLGVENW-MGHWNKPDSA-N 1 3 304.434 2.155 20 0 DEADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H](N)C2CCC2)c1 ZINC000423357483 405774697 /nfs/dbraw/zinc/77/46/97/405774697.db2.gz IDAPLMXPQLSGTC-KRWDZBQOSA-N 1 3 303.450 2.270 20 0 DEADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](N)C2CCC2)c1 ZINC000423357483 405774700 /nfs/dbraw/zinc/77/47/00/405774700.db2.gz IDAPLMXPQLSGTC-KRWDZBQOSA-N 1 3 303.450 2.270 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C[C@@H]2CCNC(=O)CC2)C1 ZINC000450408599 405882002 /nfs/dbraw/zinc/88/20/02/405882002.db2.gz WAWARMPVRGMOIP-SQNIBIBYSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C[C@@H]2CCNC(=O)CC2)C1 ZINC000450408599 405882007 /nfs/dbraw/zinc/88/20/07/405882007.db2.gz WAWARMPVRGMOIP-SQNIBIBYSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CCCCN1C[C@H]1CCC[N@H+](C[C@@H]2CCNC(=O)CC2)C1 ZINC000450408599 405882017 /nfs/dbraw/zinc/88/20/17/405882017.db2.gz WAWARMPVRGMOIP-SQNIBIBYSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CCCCN1C[C@H]1CCC[N@@H+](C[C@@H]2CCNC(=O)CC2)C1 ZINC000450408599 405882024 /nfs/dbraw/zinc/88/20/24/405882024.db2.gz WAWARMPVRGMOIP-SQNIBIBYSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)[C@@H](C[NH3+])C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000433158521 405884218 /nfs/dbraw/zinc/88/42/18/405884218.db2.gz BCOGCAUEQLAQNU-SJORKVTESA-N 1 3 303.450 2.171 20 0 DEADHO CCc1cc(NCc2ccccc2CN2CC[C@H](O)C2)cc[nH+]1 ZINC000450431922 405891877 /nfs/dbraw/zinc/89/18/77/405891877.db2.gz CPYPJHZXQVJJHP-IBGZPJMESA-N 1 3 311.429 2.245 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CN1C1CC1 ZINC000531007506 405894495 /nfs/dbraw/zinc/89/44/95/405894495.db2.gz CSFIFQXMIXKBBM-LSDHHAIUSA-N 1 3 322.497 2.127 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CN1C1CC1 ZINC000531007506 405894508 /nfs/dbraw/zinc/89/45/08/405894508.db2.gz CSFIFQXMIXKBBM-LSDHHAIUSA-N 1 3 322.497 2.127 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000633801263 405847056 /nfs/dbraw/zinc/84/70/56/405847056.db2.gz WQNPKKSEYGJJBO-WMZOPIPTSA-N 1 3 317.477 2.211 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000633801263 405847097 /nfs/dbraw/zinc/84/70/97/405847097.db2.gz WQNPKKSEYGJJBO-WMZOPIPTSA-N 1 3 317.477 2.211 20 0 DEADHO CN1CCC(N(Cc2ccco2)C(=O)CCCC[NH+](C)C)CC1 ZINC000560599690 405850979 /nfs/dbraw/zinc/85/09/79/405850979.db2.gz BQZDYNQYEKSVJJ-UHFFFAOYSA-N 1 3 321.465 2.434 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@H](C[NH3+])C(C)C ZINC000423737709 405938125 /nfs/dbraw/zinc/93/81/25/405938125.db2.gz FNFKJPYCHKUWQT-KRWDZBQOSA-N 1 3 305.466 2.328 20 0 DEADHO C[C@H]([NH3+])[C@H](C)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000423743116 405941639 /nfs/dbraw/zinc/94/16/39/405941639.db2.gz JORMFIMKYWPYHH-STQMWFEESA-N 1 3 311.857 2.214 20 0 DEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000423762361 405953897 /nfs/dbraw/zinc/95/38/97/405953897.db2.gz QBSSGVFRNZCXRQ-HNNXBMFYSA-N 1 3 321.440 2.106 20 0 DEADHO C[C@@](C[NH3+])(NCCC(=O)N[C@H]1CCCc2ccccc21)C1CC1 ZINC000433503741 405955815 /nfs/dbraw/zinc/95/58/15/405955815.db2.gz SHUAGOIQRGULEK-HKUYNNGSSA-N 1 3 315.461 2.287 20 0 DEADHO CN(C)CC(C)(C)[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000459561226 405956876 /nfs/dbraw/zinc/95/68/76/405956876.db2.gz OWOBHCJZESRDHA-GOSISDBHSA-N 1 3 319.493 2.207 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000423780079 405963692 /nfs/dbraw/zinc/96/36/92/405963692.db2.gz WEGAQGULOZXYCP-VBNZEHGJSA-N 1 3 323.868 2.447 20 0 DEADHO NC(=O)[C@H]1CCC[N@H+](CCCNCCc2ccc(Cl)cc2)C1 ZINC000459430799 405901655 /nfs/dbraw/zinc/90/16/55/405901655.db2.gz QXEOVOTYROXZEN-HNNXBMFYSA-N 1 3 323.868 2.060 20 0 DEADHO NC(=O)[C@H]1CCC[N@@H+](CCCNCCc2ccc(Cl)cc2)C1 ZINC000459430799 405901665 /nfs/dbraw/zinc/90/16/65/405901665.db2.gz QXEOVOTYROXZEN-HNNXBMFYSA-N 1 3 323.868 2.060 20 0 DEADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433607630 405965137 /nfs/dbraw/zinc/96/51/37/405965137.db2.gz IEQLQWPPBIEJOD-GOEBONIOSA-N 1 3 310.486 2.033 20 0 DEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433607630 405965140 /nfs/dbraw/zinc/96/51/40/405965140.db2.gz IEQLQWPPBIEJOD-GOEBONIOSA-N 1 3 310.486 2.033 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000561230925 405910544 /nfs/dbraw/zinc/91/05/44/405910544.db2.gz GATHZXPVEDQWDH-NVXWUHKLSA-N 1 3 318.465 2.032 20 0 DEADHO OC[C@H]([C@@H]([NH2+]C1CCN(c2ccncc2)CC1)C1CC1)C1CC1 ZINC000459588527 405970663 /nfs/dbraw/zinc/97/06/63/405970663.db2.gz XSQSPZPQGPTYOO-OALUTQOASA-N 1 3 315.461 2.437 20 0 DEADHO CC(C)(O)C[NH+]1CCC(NCC(C)(C)c2ccccn2)CC1 ZINC000639220705 405984243 /nfs/dbraw/zinc/98/42/43/405984243.db2.gz XJGDMEGVNZHREO-UHFFFAOYSA-N 1 3 305.466 2.184 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]C[C@H]2CCCN(C)C2)[C@H](C)C1 ZINC000532506386 406081990 /nfs/dbraw/zinc/08/19/90/406081990.db2.gz UHYHFTWEQBMLJZ-KURKYZTESA-N 1 3 311.514 2.055 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000462719865 406086953 /nfs/dbraw/zinc/08/69/53/406086953.db2.gz ONPABSDVEQDYBG-BRWVUGGUSA-N 1 3 324.513 2.233 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000462719865 406086958 /nfs/dbraw/zinc/08/69/58/406086958.db2.gz ONPABSDVEQDYBG-BRWVUGGUSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000478921048 406157526 /nfs/dbraw/zinc/15/75/26/406157526.db2.gz BJIROKZHKVUVQW-LAQRGFTBSA-N 1 3 315.461 2.326 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccccc1CN1CCOCC1 ZINC000568074787 406189487 /nfs/dbraw/zinc/18/94/87/406189487.db2.gz SXHQACAIKNCYBI-LPHOPBHVSA-N 1 3 317.477 2.126 20 0 DEADHO COCCn1cc2c(n1)[C@H](NC1CCC(C[NH3+])CC1)CCC2 ZINC000569349943 406241878 /nfs/dbraw/zinc/24/18/78/406241878.db2.gz GBYCXJYFPXSOIV-AVVWSFFYSA-N 1 3 306.454 2.014 20 0 DEADHO C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CNCc3ccccc32)c1 ZINC000519716027 406242182 /nfs/dbraw/zinc/24/21/82/406242182.db2.gz SKYXKRXWVYVFAN-LJQANCHMSA-N 1 3 323.440 2.251 20 0 DEADHO N[C@@H]1CCC[C@@H]([NH2+]CC2(CN3CCOCC3)CCCCC2)C1 ZINC000569555282 406268431 /nfs/dbraw/zinc/26/84/31/406268431.db2.gz BCONQRZZZJBLTN-IAGOWNOFSA-N 1 3 309.498 2.129 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000634761107 406270379 /nfs/dbraw/zinc/27/03/79/406270379.db2.gz SMJYDPLTCRVLJX-INIZCTEOSA-N 1 3 303.450 2.256 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000520807760 406317243 /nfs/dbraw/zinc/31/72/43/406317243.db2.gz QTZBNVPFERPXEW-DCGLDWPTSA-N 1 3 314.433 2.265 20 0 DEADHO CNC[C@@](C)(O)C[N@H+](C)CCCOc1ccc(Cl)cc1 ZINC000570521324 406405895 /nfs/dbraw/zinc/40/58/95/406405895.db2.gz OVKHGVQHPNGCPH-OAHLLOKOSA-N 1 3 300.830 2.011 20 0 DEADHO CNC[C@@](C)(O)C[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC000570521324 406405899 /nfs/dbraw/zinc/40/58/99/406405899.db2.gz OVKHGVQHPNGCPH-OAHLLOKOSA-N 1 3 300.830 2.011 20 0 DEADHO CC[C@@]1(O)CCC[N@@H+]([C@H](C)CCN2CCC[C@@](O)(CC)C2)C1 ZINC000640033815 406365974 /nfs/dbraw/zinc/36/59/74/406365974.db2.gz RIADWDOAZOYWNS-FGTMMUONSA-N 1 3 312.498 2.239 20 0 DEADHO CC[C@@]1(O)CCC[N@H+]([C@H](C)CCN2CCC[C@@](O)(CC)C2)C1 ZINC000640033815 406365978 /nfs/dbraw/zinc/36/59/78/406365978.db2.gz RIADWDOAZOYWNS-FGTMMUONSA-N 1 3 312.498 2.239 20 0 DEADHO CC[C@@]1(O)CCCN([C@H](C)CC[N@@H+]2CCC[C@@](O)(CC)C2)C1 ZINC000640033815 406365984 /nfs/dbraw/zinc/36/59/84/406365984.db2.gz RIADWDOAZOYWNS-FGTMMUONSA-N 1 3 312.498 2.239 20 0 DEADHO CC[C@@]1(O)CCCN([C@H](C)CC[N@H+]2CCC[C@@](O)(CC)C2)C1 ZINC000640033815 406365988 /nfs/dbraw/zinc/36/59/88/406365988.db2.gz RIADWDOAZOYWNS-FGTMMUONSA-N 1 3 312.498 2.239 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)C1(C[NH+](C)C)CC1 ZINC000635266177 406480787 /nfs/dbraw/zinc/48/07/87/406480787.db2.gz KHWCRUSBYVQSBY-UHFFFAOYSA-N 1 3 305.422 2.037 20 0 DEADHO C[C@H]1CCCN(CCNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000547732127 406439707 /nfs/dbraw/zinc/43/97/07/406439707.db2.gz MTFBEUIOBRIFKH-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H]1CCCN(CCNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000547732127 406439709 /nfs/dbraw/zinc/43/97/09/406439709.db2.gz MTFBEUIOBRIFKH-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CO[C@@]1(CN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CCOC1 ZINC000637979923 406505915 /nfs/dbraw/zinc/50/59/15/406505915.db2.gz VXEOKQDNYIOWOL-QZTJIDSGSA-N 1 3 310.482 2.236 20 0 DEADHO CO[C@@]1(C[N@@H+]2CCC[C@H](CN3CCC(C)CC3)C2)CCOC1 ZINC000637979923 406505921 /nfs/dbraw/zinc/50/59/21/406505921.db2.gz VXEOKQDNYIOWOL-QZTJIDSGSA-N 1 3 310.482 2.236 20 0 DEADHO CO[C@@]1(C[N@H+]2CCC[C@H](CN3CCC(C)CC3)C2)CCOC1 ZINC000637979923 406505924 /nfs/dbraw/zinc/50/59/24/406505924.db2.gz VXEOKQDNYIOWOL-QZTJIDSGSA-N 1 3 310.482 2.236 20 0 DEADHO C[NH+](C)CC1(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000635568924 406595657 /nfs/dbraw/zinc/59/56/57/406595657.db2.gz OSQPAASNGRJEHK-KRWDZBQOSA-N 1 3 315.461 2.109 20 0 DEADHO CN(CC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)CC(C)(C)C ZINC000635614584 406625377 /nfs/dbraw/zinc/62/53/77/406625377.db2.gz ZBMLXRDPWUYSQQ-MRXNPFEDSA-N 1 3 309.498 2.299 20 0 DEADHO C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CN1Cc1ccccc1 ZINC000635677771 406672596 /nfs/dbraw/zinc/67/25/96/406672596.db2.gz WNQHTQLJIKZFJN-RDJZCZTQSA-N 1 3 315.461 2.107 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000527653416 406705659 /nfs/dbraw/zinc/70/56/59/406705659.db2.gz TYIJWLAEKXRELS-IAGOWNOFSA-N 1 3 322.497 2.177 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000527653416 406705663 /nfs/dbraw/zinc/70/56/63/406705663.db2.gz TYIJWLAEKXRELS-IAGOWNOFSA-N 1 3 322.497 2.177 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527653416 406705667 /nfs/dbraw/zinc/70/56/67/406705667.db2.gz TYIJWLAEKXRELS-IAGOWNOFSA-N 1 3 322.497 2.177 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527653416 406705669 /nfs/dbraw/zinc/70/56/69/406705669.db2.gz TYIJWLAEKXRELS-IAGOWNOFSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)CS1 ZINC000638368506 406728866 /nfs/dbraw/zinc/72/88/66/406728866.db2.gz XRDNYWWUGSDYTF-QAPCUYQASA-N 1 3 319.518 2.418 20 0 DEADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)[C@@H]1CC12CC2 ZINC000527871793 406775472 /nfs/dbraw/zinc/77/54/72/406775472.db2.gz UEFYTHDEDGVQRK-PBHICJAKSA-N 1 3 315.461 2.256 20 0 DEADHO CN(C)[C@]1(CNC(=O)CC[C@@H]([NH3+])c2ccccc2)CCSC1 ZINC000646151442 406801548 /nfs/dbraw/zinc/80/15/48/406801548.db2.gz QIPJWTLPNBETFT-WBVHZDCISA-N 1 3 321.490 2.020 20 0 DEADHO C[C@H](C(=O)N1CCC2(C1)CC[NH+](C)CC2)N1CCCCCC1 ZINC000646250523 406825646 /nfs/dbraw/zinc/82/56/46/406825646.db2.gz ZWTIWTZVNQFRRG-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000646479668 406871198 /nfs/dbraw/zinc/87/11/98/406871198.db2.gz SPRQQYKUMJZPIR-NJAFHUGGSA-N 1 3 315.461 2.202 20 0 DEADHO CCN1CCC(NC(=O)N(C)CCCC[NH+]2CCCCC2)CC1 ZINC000641743342 406882378 /nfs/dbraw/zinc/88/23/78/406882378.db2.gz SFIXUEPMLKTZCG-UHFFFAOYSA-N 1 3 324.513 2.378 20 0 DEADHO C[C@H](CNC(=O)N(C)CCCC[NH+]1CCCCC1)N(C)C1CC1 ZINC000641782507 406891114 /nfs/dbraw/zinc/89/11/14/406891114.db2.gz DBMQIWXZWMSKMJ-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO CN(CCCC[NH+]1CCCCC1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000641797191 406894635 /nfs/dbraw/zinc/89/46/35/406894635.db2.gz XIIUGFZNSUGTFB-MRXNPFEDSA-N 1 3 322.497 2.131 20 0 DEADHO C[C@H]1C[C@H](NC(=O)N(C)CCCC[NH+]2CCCCC2)CCN1C ZINC000641809706 406899075 /nfs/dbraw/zinc/89/90/75/406899075.db2.gz UKWZVNYLWMJXAN-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO CN(C)CCOc1ccc(CN(C)C[C@H]2CCC[N@@H+]2C)cc1 ZINC000643296341 406976751 /nfs/dbraw/zinc/97/67/51/406976751.db2.gz SBCJVGVRBMTVOU-QGZVFWFLSA-N 1 3 305.466 2.153 20 0 DEADHO CN(C)CCOc1ccc(CN(C)C[C@H]2CCC[N@H+]2C)cc1 ZINC000643296341 406976754 /nfs/dbraw/zinc/97/67/54/406976754.db2.gz SBCJVGVRBMTVOU-QGZVFWFLSA-N 1 3 305.466 2.153 20 0 DEADHO CN1C[C@@H](C[NH2+]Cc2cccc(C(N)=O)c2)[C@H](c2ccccc2)C1 ZINC000647249036 406977922 /nfs/dbraw/zinc/97/79/22/406977922.db2.gz YULLXNAWMYAZOA-MOPGFXCFSA-N 1 3 323.440 2.221 20 0 DEADHO COC1([C@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)CCCCC1 ZINC000643346141 406986398 /nfs/dbraw/zinc/98/63/98/406986398.db2.gz CNJDWQMQFBMMHW-IRXDYDNUSA-N 1 3 323.525 2.482 20 0 DEADHO CC[C@H]([NH2+][C@@H](C)C1CCN(C)CC1)C(=O)NCc1cccs1 ZINC000647333240 406987853 /nfs/dbraw/zinc/98/78/53/406987853.db2.gz OMPPWWVWIXEZOT-BBRMVZONSA-N 1 3 323.506 2.463 20 0 DEADHO CC(C)(CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)[C@H]1CCCCO1 ZINC000643466869 407003741 /nfs/dbraw/zinc/00/37/41/407003741.db2.gz WRPZZYAMMRQLCF-QBPKDAKJSA-N 1 3 310.482 2.328 20 0 DEADHO COCCOc1ccc(C[N@H+](C2CC2)C2CCNCC2)cc1 ZINC000647483113 407006458 /nfs/dbraw/zinc/00/64/58/407006458.db2.gz ZWBSSDBADIVANT-UHFFFAOYSA-N 1 3 304.434 2.428 20 0 DEADHO COCCOc1ccc(C[N@@H+](C2CC2)C2CCNCC2)cc1 ZINC000647483113 407006461 /nfs/dbraw/zinc/00/64/61/407006461.db2.gz ZWBSSDBADIVANT-UHFFFAOYSA-N 1 3 304.434 2.428 20 0 DEADHO CCCN(Cc1ccc(OCCN(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC000647492715 407006771 /nfs/dbraw/zinc/00/67/71/407006771.db2.gz UZVBPOJLEMUIMX-KRWDZBQOSA-N 1 3 305.466 2.201 20 0 DEADHO CCC[C@H](C)NC(=O)[C@H](C)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976527 407091409 /nfs/dbraw/zinc/09/14/09/407091409.db2.gz PSABHEUGBDZTEE-QAETUUGQSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]1CCCCN1C(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977146 407092887 /nfs/dbraw/zinc/09/28/87/407092887.db2.gz YKPCVSBEHGUUHW-BRWVUGGUSA-N 1 3 307.482 2.099 20 0 DEADHO COc1ccccc1CN(CCO)CCCC1CC[NH2+]CC1 ZINC000647879849 407066701 /nfs/dbraw/zinc/06/67/01/407066701.db2.gz LMURGOXMLQCUGR-UHFFFAOYSA-N 1 3 306.450 2.269 20 0 DEADHO COc1ccccc1[C@H](N)CNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000644092717 407085629 /nfs/dbraw/zinc/08/56/29/407085629.db2.gz SGQNBFNABFPGAH-JKSUJKDBSA-N 1 3 319.449 2.109 20 0 DEADHO Cc1csc(CCNC[C@H](O)C[N@@H+](C)Cc2ccccc2)n1 ZINC000644517110 407134328 /nfs/dbraw/zinc/13/43/28/407134328.db2.gz ULDFQONHXVHDJC-INIZCTEOSA-N 1 3 319.474 2.077 20 0 DEADHO Cc1csc(CCNC[C@H](O)C[N@H+](C)Cc2ccccc2)n1 ZINC000644517110 407134331 /nfs/dbraw/zinc/13/43/31/407134331.db2.gz ULDFQONHXVHDJC-INIZCTEOSA-N 1 3 319.474 2.077 20 0 DEADHO CCc1cccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)c1 ZINC000644583782 407146763 /nfs/dbraw/zinc/14/67/63/407146763.db2.gz IKCVEVPNXNTTDY-KZNAEPCWSA-N 1 3 320.477 2.451 20 0 DEADHO O[C@@H](C[NH2+]C1CC(N2CCCCC2)C1)COCc1cccs1 ZINC000644636813 407157931 /nfs/dbraw/zinc/15/79/31/407157931.db2.gz XOKPKCNCLATBJL-GPANFISMSA-N 1 3 324.490 2.232 20 0 DEADHO CC(C)[N@H+](C)CC1CCN([C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000644921408 407214938 /nfs/dbraw/zinc/21/49/38/407214938.db2.gz XQIDOYHIELFUBI-MRXNPFEDSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN([C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000644921408 407214939 /nfs/dbraw/zinc/21/49/39/407214939.db2.gz XQIDOYHIELFUBI-MRXNPFEDSA-N 1 3 309.498 2.438 20 0 DEADHO CCCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1CCN(C)C1 ZINC000645330047 407264820 /nfs/dbraw/zinc/26/48/20/407264820.db2.gz NEBBGHJEXQTBLQ-HMQMGEFJSA-N 1 3 322.497 2.127 20 0 DEADHO CCCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1CCN(C)C1 ZINC000645330047 407264823 /nfs/dbraw/zinc/26/48/23/407264823.db2.gz NEBBGHJEXQTBLQ-HMQMGEFJSA-N 1 3 322.497 2.127 20 0 DEADHO Cc1ccccc1CN1CCCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000645472208 407282618 /nfs/dbraw/zinc/28/26/18/407282618.db2.gz JRJHDHVIAMKMBH-UHFFFAOYSA-N 1 3 303.450 2.014 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000417695797 287007889 /nfs/dbraw/zinc/00/78/89/287007889.db2.gz GFNAQNCLKFZPGW-CVEARBPZSA-N 1 3 312.502 2.266 20 0 DEADHO C[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1cnccc1N ZINC000422954663 287018809 /nfs/dbraw/zinc/01/88/09/287018809.db2.gz HWOSHWUOUXJAAE-OAHLLOKOSA-N 1 3 318.465 2.180 20 0 DEADHO C[C@@H](c1cccnc1)N1CCN(C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414696410 287155164 /nfs/dbraw/zinc/15/51/64/287155164.db2.gz PHEBWRHLAUHMBX-IKGGRYGDSA-N 1 3 302.466 2.148 20 0 DEADHO C[C@H](O)CN(C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000130653008 196098858 /nfs/dbraw/zinc/09/88/58/196098858.db2.gz UUXAINPPVIHHOT-HNNXBMFYSA-N 1 3 305.466 2.030 20 0 DEADHO CC[N@@H+]1CC[C@H](NCCNC(=O)c2ccc(C)cc2)[C@H](C)C1 ZINC000131851104 196204058 /nfs/dbraw/zinc/20/40/58/196204058.db2.gz XBAKVEZBCDIWPR-WBVHZDCISA-N 1 3 303.450 2.045 20 0 DEADHO CC[N@H+]1CC[C@H](NCCNC(=O)c2ccc(C)cc2)[C@H](C)C1 ZINC000131851104 196204059 /nfs/dbraw/zinc/20/40/59/196204059.db2.gz XBAKVEZBCDIWPR-WBVHZDCISA-N 1 3 303.450 2.045 20 0 DEADHO CC[C@H](COC)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000132803535 196284924 /nfs/dbraw/zinc/28/49/24/196284924.db2.gz NTCYZCRLEJIWSI-QGZVFWFLSA-N 1 3 306.450 2.158 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H](N)C2CCC2)C1 ZINC000423365304 287272443 /nfs/dbraw/zinc/27/24/43/287272443.db2.gz WOCZAKATTHNNGL-HLLBOEOZSA-N 1 3 307.482 2.227 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H](N)C2CCC2)C1 ZINC000423365304 287272446 /nfs/dbraw/zinc/27/24/46/287272446.db2.gz WOCZAKATTHNNGL-HLLBOEOZSA-N 1 3 307.482 2.227 20 0 DEADHO CC[C@]1(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)CCC[NH2+]1 ZINC000134367764 196381804 /nfs/dbraw/zinc/38/18/04/196381804.db2.gz NNUBWPOBGRTKDG-FUHWJXTLSA-N 1 3 303.450 2.458 20 0 DEADHO C[C@@H]1CCCC[C@H]1C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414479298 287308359 /nfs/dbraw/zinc/30/83/59/287308359.db2.gz HGIAGVWWCKOIAN-MSOLQXFVSA-N 1 3 323.525 2.199 20 0 DEADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC(C)(C)OCCO)CC1 ZINC000352478129 287310884 /nfs/dbraw/zinc/31/08/84/287310884.db2.gz SODWSMOZQNCPMX-NVXWUHKLSA-N 1 3 312.498 2.407 20 0 DEADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CC(C)(C)OCCO)CC1 ZINC000352478129 287310887 /nfs/dbraw/zinc/31/08/87/287310887.db2.gz SODWSMOZQNCPMX-NVXWUHKLSA-N 1 3 312.498 2.407 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000290090199 287319095 /nfs/dbraw/zinc/31/90/95/287319095.db2.gz WSSIQDVVUJLEDR-BZSNNMDCSA-N 1 3 315.461 2.328 20 0 DEADHO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCc1ccc2c(c1)CNC2 ZINC000188705884 225029670 /nfs/dbraw/zinc/02/96/70/225029670.db2.gz WVDKJHAAOJKDDI-IRXDYDNUSA-N 1 3 301.434 2.204 20 0 DEADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cc(F)ccc2OC)CC1 ZINC000291266969 222271441 /nfs/dbraw/zinc/27/14/41/222271441.db2.gz STLHMLURZYAFBD-HNNXBMFYSA-N 1 3 323.456 2.198 20 0 DEADHO c1cc(CNC2CC[NH+](C3CC3)CC2)cc(N2CCOCC2)c1 ZINC000297519753 227251485 /nfs/dbraw/zinc/25/14/85/227251485.db2.gz WSFISQCASWFDPM-UHFFFAOYSA-N 1 3 315.461 2.240 20 0 DEADHO O[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)Cc1ccccc1 ZINC000298166809 228392340 /nfs/dbraw/zinc/39/23/40/228392340.db2.gz TVDISKPZNSIEEI-LJQANCHMSA-N 1 3 311.429 2.244 20 0 DEADHO c1cc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c2c(c1)OCCO2 ZINC000414772390 228553677 /nfs/dbraw/zinc/55/36/77/228553677.db2.gz BUQCSVXMVYBWAY-CABCVRRESA-N 1 3 302.418 2.279 20 0 DEADHO COc1cc(OC)c(OC)cc1CNCCC[C@H]1CCC[NH2+]1 ZINC000414960813 228601265 /nfs/dbraw/zinc/60/12/65/228601265.db2.gz ASUUCYKRAQSPCB-AWEZNQCLSA-N 1 3 308.422 2.334 20 0 DEADHO Cc1ccc([C@H](CNC(=O)NCCCC[NH3+])N2CCCC2)cc1 ZINC000417350626 229012352 /nfs/dbraw/zinc/01/23/52/229012352.db2.gz APHRGEKRIQAQDA-KRWDZBQOSA-N 1 3 318.465 2.170 20 0 DEADHO C[C@H](CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)N(C)C1CC1 ZINC000417549791 229047615 /nfs/dbraw/zinc/04/76/15/229047615.db2.gz KALWBGMHYJETLS-PBHICJAKSA-N 1 3 318.465 2.249 20 0 DEADHO CCn1nncc1CNC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000417948835 229157686 /nfs/dbraw/zinc/15/76/86/229157686.db2.gz JNSAOGIOWSSRJS-UHFFFAOYSA-N 1 3 305.470 2.431 20 0 DEADHO C[C@H]1[C@@H](NC(=O)N(CCC[NH3+])Cc2ccccc2)CCCN1C ZINC000418004790 229184147 /nfs/dbraw/zinc/18/41/47/229184147.db2.gz ORQBAPHQEKFBOS-RDJZCZTQSA-N 1 3 318.465 2.030 20 0 DEADHO CN(C(=O)NCCCC[NH3+])C1CCN(Cc2ccccc2)CC1 ZINC000418517054 229373186 /nfs/dbraw/zinc/37/31/86/229373186.db2.gz CXEVJTUMLDJYIZ-UHFFFAOYSA-N 1 3 318.465 2.031 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC[C@H]1C[NH2+]C)c1ccco1 ZINC000418168353 287624536 /nfs/dbraw/zinc/62/45/36/287624536.db2.gz OBANXXCFNQULOH-SOUVJXGZSA-N 1 3 322.453 2.102 20 0 DEADHO N[C@@H](C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)C1CCC1 ZINC000422534542 230137727 /nfs/dbraw/zinc/13/77/27/230137727.db2.gz BEMPXUHPTKAONG-GFCCVEGCSA-N 1 3 301.312 2.230 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCc1nc(C(C)(C)C)cs1 ZINC000422736497 230184007 /nfs/dbraw/zinc/18/40/07/230184007.db2.gz GHCYWOCEQVAOKK-RWMBFGLXSA-N 1 3 311.495 2.325 20 0 DEADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCCCN(C)c1ccccc1 ZINC000422744411 230185199 /nfs/dbraw/zinc/18/51/99/230185199.db2.gz VZUJTZDFNWAMGG-JQHSSLGASA-N 1 3 305.466 2.245 20 0 DEADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1cccc(F)c1 ZINC000422789415 230210251 /nfs/dbraw/zinc/21/02/51/230210251.db2.gz OLRFPYCKIDUMET-NKGKWGDASA-N 1 3 322.424 2.340 20 0 DEADHO Cc1ccccc1C[C@@H](CO)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423060645 230332173 /nfs/dbraw/zinc/33/21/73/230332173.db2.gz OUHAOCKIAHFRNY-YJBOKZPZSA-N 1 3 313.445 2.411 20 0 DEADHO Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2ccc(CN)nc2C)cc1 ZINC000423057910 230332531 /nfs/dbraw/zinc/33/25/31/230332531.db2.gz ILOXXSDJKQNDQY-CRAIPNDOSA-N 1 3 313.445 2.411 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000423072355 230337362 /nfs/dbraw/zinc/33/73/62/230337362.db2.gz GYDQRNZYIBBLHL-ZOBUZTSGSA-N 1 3 307.507 2.319 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCc1ccccc1OC(F)F ZINC000423072882 230338050 /nfs/dbraw/zinc/33/80/50/230338050.db2.gz QIMYOXVDSCGKFH-YUTCNCBUSA-N 1 3 314.376 2.172 20 0 DEADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000423072882 230338056 /nfs/dbraw/zinc/33/80/56/230338056.db2.gz QIMYOXVDSCGKFH-YUTCNCBUSA-N 1 3 314.376 2.172 20 0 DEADHO OC[C@]1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1c1ccc(F)cc1 ZINC000423076341 230340463 /nfs/dbraw/zinc/34/04/63/230340463.db2.gz RBHMKCBNIRJYDZ-VQTPCSAVSA-N 1 3 304.409 2.164 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@](C)(CO)c1ccccc1 ZINC000423105369 230353386 /nfs/dbraw/zinc/35/33/86/230353386.db2.gz IHMORSOKTRBOOR-KUHUBIRLSA-N 1 3 313.445 2.450 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCNc1ccc2ccccc2n1 ZINC000358399525 424823358 /nfs/dbraw/zinc/82/33/58/424823358.db2.gz MADGOJYBBCOLIC-RVKKMQEKSA-N 1 3 312.461 2.965 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCNc1ccc2ccccc2n1 ZINC000358399525 424823360 /nfs/dbraw/zinc/82/33/60/424823360.db2.gz MADGOJYBBCOLIC-RVKKMQEKSA-N 1 3 312.461 2.965 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000648821445 424911762 /nfs/dbraw/zinc/91/17/62/424911762.db2.gz OOUZYYSVTZUKIH-BURFUSLBSA-N 1 3 315.461 2.106 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC[N@H+]1C ZINC000648821445 424911763 /nfs/dbraw/zinc/91/17/63/424911763.db2.gz OOUZYYSVTZUKIH-BURFUSLBSA-N 1 3 315.461 2.106 20 0 DEADHO C[C@](O)(C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1)C(F)(F)F ZINC000309852975 424894083 /nfs/dbraw/zinc/89/40/83/424894083.db2.gz KGSFAEQIWKXKAV-CABCVRRESA-N 1 3 316.367 2.411 20 0 DEADHO C[C@@H](C[C@@H]1CCC[NH2+]1)NCc1ccccc1OCCN(C)C ZINC000415086444 424949265 /nfs/dbraw/zinc/94/92/65/424949265.db2.gz SFTUFSURGHWBQC-RDJZCZTQSA-N 1 3 305.466 2.247 20 0 DEADHO CC1(C)CNCCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000649273765 424982205 /nfs/dbraw/zinc/98/22/05/424982205.db2.gz CYTPXFYVOFLYPQ-UHFFFAOYSA-N 1 3 301.434 2.106 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CNCCC1(F)F ZINC000649310505 424990976 /nfs/dbraw/zinc/99/09/76/424990976.db2.gz OOYBSNCMDWTDNG-ZIAGYGMSSA-N 1 3 317.424 2.002 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CNCCC1(F)F ZINC000649310505 424990981 /nfs/dbraw/zinc/99/09/81/424990981.db2.gz OOYBSNCMDWTDNG-ZIAGYGMSSA-N 1 3 317.424 2.002 20 0 DEADHO Cc1ccc(NC(=O)[C@H]2C[NH2+]CCC2(F)F)c(CN(C)C)c1 ZINC000649334868 424995512 /nfs/dbraw/zinc/99/55/12/424995512.db2.gz SYJJOSJNYFOJKU-CYBMUJFWSA-N 1 3 311.376 2.240 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000649363829 425001368 /nfs/dbraw/zinc/00/13/68/425001368.db2.gz PUKAXPGBYODJFN-GVDBMIGSSA-N 1 3 307.482 2.099 20 0 DEADHO COc1ccsc1CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707782 425039008 /nfs/dbraw/zinc/03/90/08/425039008.db2.gz MXYWACOUBFGZNW-GZBFAFLISA-N 1 3 310.463 2.475 20 0 DEADHO CC(C)n1cc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cn1 ZINC000650706940 425039932 /nfs/dbraw/zinc/03/99/32/425039932.db2.gz VTQMXMMIAKRCRI-YESZJQIVSA-N 1 3 306.454 2.182 20 0 DEADHO CN(CCN1CCCCC1)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000651058297 425095792 /nfs/dbraw/zinc/09/57/92/425095792.db2.gz MIROYVUGLGJQMF-UHFFFAOYSA-N 1 3 324.513 2.236 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCC[N@H+](C)CC(C)C ZINC000651193490 425113926 /nfs/dbraw/zinc/11/39/26/425113926.db2.gz YFPWRIPGRUDHJG-SJORKVTESA-N 1 3 324.513 2.233 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCC[N@@H+](C)CC(C)C ZINC000651193490 425113928 /nfs/dbraw/zinc/11/39/28/425113928.db2.gz YFPWRIPGRUDHJG-SJORKVTESA-N 1 3 324.513 2.233 20 0 DEADHO CN(CCN1CCCCC1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000650981844 425085300 /nfs/dbraw/zinc/08/53/00/425085300.db2.gz AZLNLWIMYSRCNL-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H](C3CCCCC3)C2)C1 ZINC000656791319 425190955 /nfs/dbraw/zinc/19/09/55/425190955.db2.gz XEZCZWSGKUPUMZ-WBVHZDCISA-N 1 3 307.482 2.086 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@H+]2CC[C@H](C3CCCCC3)C2)C1 ZINC000656791319 425190959 /nfs/dbraw/zinc/19/09/59/425190959.db2.gz XEZCZWSGKUPUMZ-WBVHZDCISA-N 1 3 307.482 2.086 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NCC[N@@H+]2CCCC[C@H]2CC)C1 ZINC000660660431 425197798 /nfs/dbraw/zinc/19/77/98/425197798.db2.gz VHEUFABRQONKCY-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NCC[N@H+]2CCCC[C@H]2CC)C1 ZINC000660660431 425197803 /nfs/dbraw/zinc/19/78/03/425197803.db2.gz VHEUFABRQONKCY-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](NCc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000666852290 425198080 /nfs/dbraw/zinc/19/80/80/425198080.db2.gz ZQFXOJFCTSAUDC-ZIAGYGMSSA-N 1 3 314.389 2.165 20 0 DEADHO CCN(C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C)[C@H]1CCN(CC)C1 ZINC000663627133 425199904 /nfs/dbraw/zinc/19/99/04/425199904.db2.gz CCDPEQDZNQPIRH-BBWFWOEESA-N 1 3 324.513 2.375 20 0 DEADHO CCN(C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C)[C@H]1CCN(CC)C1 ZINC000663627133 425199910 /nfs/dbraw/zinc/19/99/10/425199910.db2.gz CCDPEQDZNQPIRH-BBWFWOEESA-N 1 3 324.513 2.375 20 0 DEADHO OC[C@@]1(C[NH2+]C2CCN(CC3CC3)CC2)CCc2ccccc21 ZINC000651884461 425150708 /nfs/dbraw/zinc/15/07/08/425150708.db2.gz IODFPKHHPOAGLP-FQEVSTJZSA-N 1 3 314.473 2.327 20 0 DEADHO OC[C@@]1(CNC2CC[NH+](CC3CC3)CC2)CCc2ccccc21 ZINC000651884461 425150709 /nfs/dbraw/zinc/15/07/09/425150709.db2.gz IODFPKHHPOAGLP-FQEVSTJZSA-N 1 3 314.473 2.327 20 0 DEADHO CCN(C(=O)NC[C@@H](C)C[NH+]1CCCCC1)[C@@H]1CCN(CC)C1 ZINC000663756335 425228644 /nfs/dbraw/zinc/22/86/44/425228644.db2.gz VWXSEAZQQCQSTH-IAGOWNOFSA-N 1 3 324.513 2.234 20 0 DEADHO CCN(C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCN(CC)C1 ZINC000663794995 425238076 /nfs/dbraw/zinc/23/80/76/425238076.db2.gz ZHINTNFNULUVKN-ZACQAIPSSA-N 1 3 324.513 2.233 20 0 DEADHO CCN(C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1)[C@H]1CCN(CC)C1 ZINC000663794995 425238079 /nfs/dbraw/zinc/23/80/79/425238079.db2.gz ZHINTNFNULUVKN-ZACQAIPSSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000660825294 425247926 /nfs/dbraw/zinc/24/79/26/425247926.db2.gz UKYSWYTXIMHODR-CABCVRRESA-N 1 3 310.486 2.033 20 0 DEADHO Cc1ccc([C@H](CNC(=O)NCC[C@@H](C)[NH+](C)C)N(C)C)cc1 ZINC000663843976 425249273 /nfs/dbraw/zinc/24/92/73/425249273.db2.gz PQCRLWDHQLPNEO-WBVHZDCISA-N 1 3 320.481 2.237 20 0 DEADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(C(C)(C)CC)CC2)C1 ZINC000653953122 425259871 /nfs/dbraw/zinc/25/98/71/425259871.db2.gz UGEVTJFNLQCDOZ-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO CCC[N@H+]1CC[C@@H](CNC(=O)N2CCN(C(C)(C)CC)CC2)C1 ZINC000653953122 425259873 /nfs/dbraw/zinc/25/98/73/425259873.db2.gz UGEVTJFNLQCDOZ-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO CN1CCC[C@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000663956334 425274024 /nfs/dbraw/zinc/27/40/24/425274024.db2.gz ZSURGMOAWCOTDO-SFHVURJKSA-N 1 3 315.461 2.497 20 0 DEADHO CC(C)[C@H](CNC(=O)NC[C@@H]1CCN1C(C)(C)C)[NH+]1CCCC1 ZINC000664003005 425285529 /nfs/dbraw/zinc/28/55/29/425285529.db2.gz DHZRAISFEFFCBA-HOTGVXAUSA-N 1 3 324.513 2.279 20 0 DEADHO CN(C)CCN1CCC([NH2+]Cc2cc3ccncc3s2)CC1 ZINC000657306131 425298485 /nfs/dbraw/zinc/29/84/85/425298485.db2.gz RIUXWRAQKMOLNL-UHFFFAOYSA-N 1 3 318.490 2.412 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000661198992 425347541 /nfs/dbraw/zinc/34/75/41/425347541.db2.gz WTJQXQNLYYQDOP-JKSUJKDBSA-N 1 3 312.502 2.135 20 0 DEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000661198992 425347544 /nfs/dbraw/zinc/34/75/44/425347544.db2.gz WTJQXQNLYYQDOP-JKSUJKDBSA-N 1 3 312.502 2.135 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000661198199 425347753 /nfs/dbraw/zinc/34/77/53/425347753.db2.gz LKUZEJPEOGLBIN-LSDHHAIUSA-N 1 3 312.502 2.279 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000661198199 425347757 /nfs/dbraw/zinc/34/77/57/425347757.db2.gz LKUZEJPEOGLBIN-LSDHHAIUSA-N 1 3 312.502 2.279 20 0 DEADHO C[N@@H+]1CCC[C@H](CCNC(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000654591263 425392648 /nfs/dbraw/zinc/39/26/48/425392648.db2.gz YPCWWNNEXZMHDD-IKGGRYGDSA-N 1 3 322.497 2.034 20 0 DEADHO C[N@H+]1CCC[C@H](CCNC(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000654591263 425392651 /nfs/dbraw/zinc/39/26/51/425392651.db2.gz YPCWWNNEXZMHDD-IKGGRYGDSA-N 1 3 322.497 2.034 20 0 DEADHO CCOC1CCC([NH2+]C2CCN(C3CCN(C)CC3)CC2)CC1 ZINC000657865245 425410350 /nfs/dbraw/zinc/41/03/50/425410350.db2.gz VXGNIFGTNWLCJV-UHFFFAOYSA-N 1 3 323.525 2.482 20 0 DEADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000653120359 425410696 /nfs/dbraw/zinc/41/06/96/425410696.db2.gz PAYWEGZKCGWBLE-ROUUACIJSA-N 1 3 315.461 2.157 20 0 DEADHO CN(C)CCN(Cc1ccccc1F)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000653140177 425415980 /nfs/dbraw/zinc/41/59/80/425415980.db2.gz PSYOJAFTHJKHPF-HNNXBMFYSA-N 1 3 321.440 2.106 20 0 DEADHO C[C@H](Cn1cncn1)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000657898976 425413893 /nfs/dbraw/zinc/41/38/93/425413893.db2.gz HPBPIFAXHCJWLB-CVEARBPZSA-N 1 3 301.438 2.167 20 0 DEADHO C[C@H](Cn1cncn1)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000657898976 425413897 /nfs/dbraw/zinc/41/38/97/425413897.db2.gz HPBPIFAXHCJWLB-CVEARBPZSA-N 1 3 301.438 2.167 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000652940495 425363675 /nfs/dbraw/zinc/36/36/75/425363675.db2.gz WMRJSGFLHIDQSL-SUMDDJOVSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000652940495 425363680 /nfs/dbraw/zinc/36/36/80/425363680.db2.gz WMRJSGFLHIDQSL-SUMDDJOVSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1ccccc1N(C)C ZINC000657573988 425368383 /nfs/dbraw/zinc/36/83/83/425368383.db2.gz SBTAJBWGDPSJLI-INIZCTEOSA-N 1 3 306.498 2.114 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000661278279 425369119 /nfs/dbraw/zinc/36/91/19/425369119.db2.gz PQWMOTRUAASCOO-MGNMYUMUSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000661278279 425369123 /nfs/dbraw/zinc/36/91/23/425369123.db2.gz PQWMOTRUAASCOO-MGNMYUMUSA-N 1 3 322.497 2.031 20 0 DEADHO CCC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000664425147 425381365 /nfs/dbraw/zinc/38/13/65/425381365.db2.gz HETOCFAFNTYLTL-MRXNPFEDSA-N 1 3 304.438 2.354 20 0 DEADHO CCC[N@H+]1CC[C@@H](NC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000664425147 425381369 /nfs/dbraw/zinc/38/13/69/425381369.db2.gz HETOCFAFNTYLTL-MRXNPFEDSA-N 1 3 304.438 2.354 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654566375 425383656 /nfs/dbraw/zinc/38/36/56/425383656.db2.gz AWUXNNJLJOTFBP-YESZJQIVSA-N 1 3 324.513 2.423 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654566375 425383658 /nfs/dbraw/zinc/38/36/58/425383658.db2.gz AWUXNNJLJOTFBP-YESZJQIVSA-N 1 3 324.513 2.423 20 0 DEADHO COC1([C@H](C)[NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)CCC1 ZINC000657969119 425422194 /nfs/dbraw/zinc/42/21/94/425422194.db2.gz IUNWBDYTEKQHMD-MAUKXSAKSA-N 1 3 318.461 2.300 20 0 DEADHO C[NH+](C)CCCOc1cnccc1CN[C@@H]1COC2(CCC2)C1 ZINC000658014872 425427438 /nfs/dbraw/zinc/42/74/38/425427438.db2.gz ZXVNNBMAEWHHCQ-INIZCTEOSA-N 1 3 319.449 2.213 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000661508351 425429386 /nfs/dbraw/zinc/42/93/86/425429386.db2.gz WALRRMVQEYWQLX-JKSUJKDBSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000661508351 425429389 /nfs/dbraw/zinc/42/93/89/425429389.db2.gz WALRRMVQEYWQLX-JKSUJKDBSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000661516217 425431973 /nfs/dbraw/zinc/43/19/73/425431973.db2.gz YZGJVGLTJFWMGP-HZPDHXFCSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661516217 425431976 /nfs/dbraw/zinc/43/19/76/425431976.db2.gz YZGJVGLTJFWMGP-HZPDHXFCSA-N 1 3 324.513 2.279 20 0 DEADHO CC[C@H]([NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1)[C@H]1CCOC1 ZINC000658140306 425443899 /nfs/dbraw/zinc/44/38/99/425443899.db2.gz PSIYLPGAFGYOBY-OTWHNJEPSA-N 1 3 318.461 2.158 20 0 DEADHO CC(C)(C(=O)N1CCC(CC[NH3+])CC1)[C@@H](N)c1ccccc1 ZINC000653256287 425445551 /nfs/dbraw/zinc/44/55/51/425445551.db2.gz KMKXCHODFRYBGB-INIZCTEOSA-N 1 3 303.450 2.300 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](NCCO[C@H]2CC2(F)F)[C@@H](C)C1 ZINC000658171571 425449673 /nfs/dbraw/zinc/44/96/73/425449673.db2.gz ZLWSFSOIGQIGPQ-KKUMJFAQSA-N 1 3 320.424 2.137 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](NCCO[C@H]2CC2(F)F)[C@@H](C)C1 ZINC000658171571 425449676 /nfs/dbraw/zinc/44/96/76/425449676.db2.gz ZLWSFSOIGQIGPQ-KKUMJFAQSA-N 1 3 320.424 2.137 20 0 DEADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@H]1CCOC1 ZINC000658164866 425449878 /nfs/dbraw/zinc/44/98/78/425449878.db2.gz FYWQHBXAKJMBGU-YJBOKZPZSA-N 1 3 303.450 2.308 20 0 DEADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccnn1C ZINC000658167456 425450175 /nfs/dbraw/zinc/45/01/75/425450175.db2.gz SGPVCWBPSXPWPY-HNNXBMFYSA-N 1 3 313.449 2.378 20 0 DEADHO CCN1CCC(NC(=O)C[NH2+][C@@H](C)C2CCC(F)CC2)CC1 ZINC000662006681 425540824 /nfs/dbraw/zinc/54/08/24/425540824.db2.gz VQVZKMPJMKUJJN-NFOMZHRRSA-N 1 3 313.461 2.093 20 0 DEADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1NCc2ccccc21 ZINC000659284467 425568210 /nfs/dbraw/zinc/56/82/10/425568210.db2.gz FBLNPTUHJJCTOO-SOLBZPMBSA-N 1 3 313.445 2.306 20 0 DEADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1NCc2ccccc21 ZINC000659284467 425568214 /nfs/dbraw/zinc/56/82/14/425568214.db2.gz FBLNPTUHJJCTOO-SOLBZPMBSA-N 1 3 313.445 2.306 20 0 DEADHO CO[C@@H](C[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2)C1CCCCC1 ZINC000662272298 425610945 /nfs/dbraw/zinc/61/09/45/425610945.db2.gz DOTWBACCEKQYHT-SJORKVTESA-N 1 3 310.482 2.269 20 0 DEADHO CO[C@@H](C[N@H+]1C[C@@H](CN)C2(C1)CCOCC2)C1CCCCC1 ZINC000662272298 425610949 /nfs/dbraw/zinc/61/09/49/425610949.db2.gz DOTWBACCEKQYHT-SJORKVTESA-N 1 3 310.482 2.269 20 0 DEADHO CC(C)(C)N1CC[C@@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000665557343 425596779 /nfs/dbraw/zinc/59/67/79/425596779.db2.gz RYZGXFBSQKZMMZ-HZPDHXFCSA-N 1 3 322.497 2.129 20 0 DEADHO CN(CCCNC(=O)NCC1([NH3+])CCCC1)Cc1ccccc1 ZINC000659432402 425601521 /nfs/dbraw/zinc/60/15/21/425601521.db2.gz ZBAOAQQVGUASEA-UHFFFAOYSA-N 1 3 318.465 2.079 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000659442015 425603939 /nfs/dbraw/zinc/60/39/39/425603939.db2.gz KJMSUAIWFUAYBQ-GOEBONIOSA-N 1 3 318.465 2.201 20 0 DEADHO CCC[N@H+](C[C@@H]1CCC2(CNC2)O1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000662256029 425604623 /nfs/dbraw/zinc/60/46/23/425604623.db2.gz IGPYKXNRGNCWRC-HRCADAONSA-N 1 3 310.482 2.423 20 0 DEADHO CCC[N@@H+](C[C@@H]1CCC2(CNC2)O1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000662256029 425604626 /nfs/dbraw/zinc/60/46/26/425604626.db2.gz IGPYKXNRGNCWRC-HRCADAONSA-N 1 3 310.482 2.423 20 0 DEADHO [NH3+]C[C@H]1CCCc2ccc(C(=O)N[C@H]3CCN(C4CC4)C3)cc21 ZINC000662410368 425645191 /nfs/dbraw/zinc/64/51/91/425645191.db2.gz RILCRPATWMFQFK-CVEARBPZSA-N 1 3 313.445 2.032 20 0 DEADHO N[C@H](CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)c1ccccc1 ZINC000662412450 425645264 /nfs/dbraw/zinc/64/52/64/425645264.db2.gz GCGOJEIRHLCIGT-IEBWSBKVSA-N 1 3 323.440 2.495 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)c2cc3c(s2)CCNC3)CC1 ZINC000662418488 425645997 /nfs/dbraw/zinc/64/59/97/425645997.db2.gz ROBRSZCDCIBTGG-UHFFFAOYSA-N 1 3 321.490 2.388 20 0 DEADHO CC(C)[NH2+]CC(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000662511225 425670442 /nfs/dbraw/zinc/67/04/42/425670442.db2.gz WXNVHYVCYUITTK-UHFFFAOYSA-N 1 3 318.465 2.154 20 0 DEADHO C[C@@H]1CCCCN1C(=O)CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290432 425614049 /nfs/dbraw/zinc/61/40/49/425614049.db2.gz UXJBXPUNIWWYFP-WBVHZDCISA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1CCCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)[C@@H]1CCC[NH3+] ZINC000662313049 425621682 /nfs/dbraw/zinc/62/16/82/425621682.db2.gz GKLWCROEMQGYMQ-MWDXBVQZSA-N 1 3 309.498 2.330 20 0 DEADHO CCCCC[N@@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662334718 425627592 /nfs/dbraw/zinc/62/75/92/425627592.db2.gz CFOCHQKFEDIIMD-HNNXBMFYSA-N 1 3 305.470 2.189 20 0 DEADHO CCCCC[N@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662334718 425627594 /nfs/dbraw/zinc/62/75/94/425627594.db2.gz CFOCHQKFEDIIMD-HNNXBMFYSA-N 1 3 305.470 2.189 20 0 DEADHO O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CCN(C2CCCC2)CC1 ZINC000662377502 425636797 /nfs/dbraw/zinc/63/67/97/425636797.db2.gz ISGIZRKWRDUUAO-GOSISDBHSA-N 1 3 313.445 2.308 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCNC(=O)C[C@H]1NCc2ccccc21 ZINC000662387100 425638026 /nfs/dbraw/zinc/63/80/26/425638026.db2.gz HNGQZWYJRPQUBY-WMLDXEAASA-N 1 3 301.434 2.212 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCNC(=O)C[C@H]1NCc2ccccc21 ZINC000662387100 425638030 /nfs/dbraw/zinc/63/80/30/425638030.db2.gz HNGQZWYJRPQUBY-WMLDXEAASA-N 1 3 301.434 2.212 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000665758691 425640643 /nfs/dbraw/zinc/64/06/43/425640643.db2.gz MKUKPSZIKVQFPN-BBWFWOEESA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000665758691 425640644 /nfs/dbraw/zinc/64/06/44/425640644.db2.gz MKUKPSZIKVQFPN-BBWFWOEESA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](C)[C@@H]1C ZINC000665758322 425640803 /nfs/dbraw/zinc/64/08/03/425640803.db2.gz FPBCDASNFZIHFP-JYJNAYRXSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](C)[C@@H]1C ZINC000665758322 425640806 /nfs/dbraw/zinc/64/08/06/425640806.db2.gz FPBCDASNFZIHFP-JYJNAYRXSA-N 1 3 312.502 2.088 20 0 DEADHO O=C(N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1(NC2CC2)CCC1 ZINC000662805887 425741245 /nfs/dbraw/zinc/74/12/45/425741245.db2.gz OJZWLRRABQOAJF-RHSMWYFYSA-N 1 3 317.477 2.136 20 0 DEADHO O=C(N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1(NC2CC2)CCC1 ZINC000662805887 425741247 /nfs/dbraw/zinc/74/12/47/425741247.db2.gz OJZWLRRABQOAJF-RHSMWYFYSA-N 1 3 317.477 2.136 20 0 DEADHO C[C@H](C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)N1CCCCCC1 ZINC000662590770 425688456 /nfs/dbraw/zinc/68/84/56/425688456.db2.gz NMPJKZROPDDGLG-AEFFLSMTSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662618351 425695356 /nfs/dbraw/zinc/69/53/56/425695356.db2.gz AZGYFEMAODFPJL-HOCLYGCPSA-N 1 3 301.434 2.210 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662618351 425695360 /nfs/dbraw/zinc/69/53/60/425695360.db2.gz AZGYFEMAODFPJL-HOCLYGCPSA-N 1 3 301.434 2.210 20 0 DEADHO C[C@H](C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)[C@@H](N)c1ccccc1 ZINC000662622742 425696898 /nfs/dbraw/zinc/69/68/98/425696898.db2.gz TWRZQXYGMJFENX-CWRNSKLLSA-N 1 3 303.450 2.312 20 0 DEADHO C[C@H](C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)[C@@H](N)c1ccccc1 ZINC000662622742 425696902 /nfs/dbraw/zinc/69/69/02/425696902.db2.gz TWRZQXYGMJFENX-CWRNSKLLSA-N 1 3 303.450 2.312 20 0 DEADHO CN(C)[C@@H](CNC(=O)C1([NH2+]C2CC2)CCC1)c1ccccc1 ZINC000662661492 425706122 /nfs/dbraw/zinc/70/61/22/425706122.db2.gz RAZWNFYNZCJNPU-INIZCTEOSA-N 1 3 301.434 2.080 20 0 DEADHO CC(C)C[C@H](CNC(=O)C[C@@H]1NCc2ccccc21)[NH+](C)C ZINC000662674108 425708840 /nfs/dbraw/zinc/70/88/40/425708840.db2.gz VJTMCGGCZOBMPX-WBVHZDCISA-N 1 3 303.450 2.314 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C2(NC3CC3)CCC2)C1 ZINC000662681518 425711550 /nfs/dbraw/zinc/71/15/50/425711550.db2.gz GZWBGITXPZJAJQ-HUUCEWRRSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@H](CC(=O)N[C@@H](C)CN1CCC(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000662694518 425713411 /nfs/dbraw/zinc/71/34/11/425713411.db2.gz RQOGKZRXRMHANG-IXDOHACOSA-N 1 3 309.498 2.249 20 0 DEADHO CCC[NH+]1CCC(CNC(=O)c2cccc3c2CCNC3)CC1 ZINC000662693473 425713954 /nfs/dbraw/zinc/71/39/54/425713954.db2.gz PUZMFZOPLSPXEH-UHFFFAOYSA-N 1 3 315.461 2.184 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662692212 425714282 /nfs/dbraw/zinc/71/42/82/425714282.db2.gz CIFOHFBZGPNCTH-XYTVBORESA-N 1 3 307.482 2.144 20 0 DEADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000662694971 425714359 /nfs/dbraw/zinc/71/43/59/425714359.db2.gz UWYJBTKZBSQPDZ-YOEHRIQHSA-N 1 3 321.440 2.105 20 0 DEADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C1(N)CC2(CCC2)C1 ZINC000662695447 425716061 /nfs/dbraw/zinc/71/60/61/425716061.db2.gz MCCUTICZRZCJJY-RBSFLKMASA-N 1 3 307.482 2.131 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662836089 425744666 /nfs/dbraw/zinc/74/46/66/425744666.db2.gz VNPMIBVMNRHTOS-IKGGRYGDSA-N 1 3 307.482 2.417 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662836089 425744671 /nfs/dbraw/zinc/74/46/71/425744671.db2.gz VNPMIBVMNRHTOS-IKGGRYGDSA-N 1 3 307.482 2.417 20 0 DEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc3c2CCNC3)[C@H](C)C1 ZINC000662744734 425726255 /nfs/dbraw/zinc/72/62/55/425726255.db2.gz GTHOBQKPGQNSDD-RDTXWAMCSA-N 1 3 315.461 2.135 20 0 DEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc3c2CCNC3)[C@H](C)C1 ZINC000662744734 425726258 /nfs/dbraw/zinc/72/62/58/425726258.db2.gz GTHOBQKPGQNSDD-RDTXWAMCSA-N 1 3 315.461 2.135 20 0 DEADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200881 425729890 /nfs/dbraw/zinc/72/98/90/425729890.db2.gz WUQXYPJYAWRHLL-YUAHOQAQSA-N 1 3 319.493 2.032 20 0 DEADHO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc2c(c1)CNC2 ZINC000663002346 425775733 /nfs/dbraw/zinc/77/57/33/425775733.db2.gz DILQGFVJGGBSEJ-OAHLLOKOSA-N 1 3 313.445 2.142 20 0 DEADHO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2c(c1)CNC2 ZINC000663002346 425775735 /nfs/dbraw/zinc/77/57/35/425775735.db2.gz DILQGFVJGGBSEJ-OAHLLOKOSA-N 1 3 313.445 2.142 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000660281550 425782665 /nfs/dbraw/zinc/78/26/65/425782665.db2.gz XGWFVFRCXFQPER-INIZCTEOSA-N 1 3 324.513 2.425 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000660281550 425782671 /nfs/dbraw/zinc/78/26/71/425782671.db2.gz XGWFVFRCXFQPER-INIZCTEOSA-N 1 3 324.513 2.425 20 0 DEADHO CCO[C@@H]1C[C@@H](NC[C@H](O)C[N@H+](C)C(C)C)C12CCCCC2 ZINC000660412034 425809780 /nfs/dbraw/zinc/80/97/80/425809780.db2.gz CSZWRDQUAKNIPU-GVDBMIGSSA-N 1 3 312.498 2.405 20 0 DEADHO CCO[C@@H]1C[C@@H](NC[C@H](O)C[N@@H+](C)C(C)C)C12CCCCC2 ZINC000660412034 425809781 /nfs/dbraw/zinc/80/97/81/425809781.db2.gz CSZWRDQUAKNIPU-GVDBMIGSSA-N 1 3 312.498 2.405 20 0 DEADHO CC1(C)CCCN[C@H]1C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662840585 425745995 /nfs/dbraw/zinc/74/59/95/425745995.db2.gz DAPXNIFJGUQWNW-CVEARBPZSA-N 1 3 307.482 2.003 20 0 DEADHO [NH3+]CC1(CC(=O)N[C@H]2CCCN3CCCC[C@@H]23)CCCCC1 ZINC000662840011 425746548 /nfs/dbraw/zinc/74/65/48/425746548.db2.gz WOFMPFKVMXXWLT-HOTGVXAUSA-N 1 3 307.482 2.419 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662883443 425756874 /nfs/dbraw/zinc/75/68/74/425756874.db2.gz KBKDAKUWOGPJTN-JKIFEVAISA-N 1 3 317.433 2.159 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)c1ccccc1CC[NH3+] ZINC000662886063 425757043 /nfs/dbraw/zinc/75/70/43/425757043.db2.gz ALOFSQNKQLPYNE-OAHLLOKOSA-N 1 3 303.450 2.038 20 0 DEADHO C[C@@H](CNCCC(=O)N(C)c1ccccc1)C[NH+]1CCCC1 ZINC000663357891 425831928 /nfs/dbraw/zinc/83/19/28/425831928.db2.gz YRBVJEUMSIREGA-INIZCTEOSA-N 1 3 303.450 2.361 20 0 DEADHO C[C@@H](C[NH2+]CCC(=O)N(C)c1ccccc1)CN1CCCC1 ZINC000663357891 425831929 /nfs/dbraw/zinc/83/19/29/425831929.db2.gz YRBVJEUMSIREGA-INIZCTEOSA-N 1 3 303.450 2.361 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000663417278 425837367 /nfs/dbraw/zinc/83/73/67/425837367.db2.gz ZUHWCWVYHNHEDX-HRCADAONSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000663417278 425837368 /nfs/dbraw/zinc/83/73/68/425837368.db2.gz ZUHWCWVYHNHEDX-HRCADAONSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)N(C)Cc1ccccc1 ZINC000390718040 269097842 /nfs/dbraw/zinc/09/78/42/269097842.db2.gz LTSDRKUEKJAOJM-RDJZCZTQSA-N 1 3 303.450 2.155 20 0 DEADHO C[C@@H]1COCC[C@@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397507389 269106545 /nfs/dbraw/zinc/10/65/45/269106545.db2.gz JXDGTDZNXZMAPG-AEFFLSMTSA-N 1 3 318.461 2.028 20 0 DEADHO OC1(C[NH2+][C@H]2CCCOCC2)CCN(Cc2ccccc2)CC1 ZINC000397506632 269106636 /nfs/dbraw/zinc/10/66/36/269106636.db2.gz JJHDGHZGYAKGCC-SFHVURJKSA-N 1 3 318.461 2.172 20 0 DEADHO C[C@@H]([NH3+])C[C@H](C)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000423142585 269115547 /nfs/dbraw/zinc/11/55/47/269115547.db2.gz AQBMIXFYCYFRIR-NEPJUHHUSA-N 1 3 318.870 2.219 20 0 DEADHO CC[N@H+](CCC1CCN(C[C@@H]2CN(C)C(=O)O2)CC1)CC1CC1 ZINC000495792884 269176013 /nfs/dbraw/zinc/17/60/13/269176013.db2.gz HLWHNISFUPOCHE-KRWDZBQOSA-N 1 3 323.481 2.271 20 0 DEADHO CC[N@@H+](CCC1CCN(C[C@@H]2CN(C)C(=O)O2)CC1)CC1CC1 ZINC000495792884 269176015 /nfs/dbraw/zinc/17/60/15/269176015.db2.gz HLWHNISFUPOCHE-KRWDZBQOSA-N 1 3 323.481 2.271 20 0 DEADHO CN(C)C[C@H]1CC[N@H+](CC2(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000495924250 269185063 /nfs/dbraw/zinc/18/50/63/269185063.db2.gz AFVWNABKZLVONS-CQSZACIVSA-N 1 3 311.470 2.175 20 0 DEADHO CN(C)C[C@H]1CC[N@@H+](CC2(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000495924250 269185064 /nfs/dbraw/zinc/18/50/64/269185064.db2.gz AFVWNABKZLVONS-CQSZACIVSA-N 1 3 311.470 2.175 20 0 DEADHO C[C@@H](C[N@@H+]1CC[C@@]2(C1)CCCN(C)C2)NC(=O)OC(C)(C)C ZINC000496558207 269229559 /nfs/dbraw/zinc/22/95/59/269229559.db2.gz GLOAIAGPKHGKJN-YOEHRIQHSA-N 1 3 311.470 2.317 20 0 DEADHO C[C@@H](C[N@H+]1CC[C@@]2(C1)CCCN(C)C2)NC(=O)OC(C)(C)C ZINC000496558207 269229560 /nfs/dbraw/zinc/22/95/60/269229560.db2.gz GLOAIAGPKHGKJN-YOEHRIQHSA-N 1 3 311.470 2.317 20 0 DEADHO CNC[C@@H](C)C[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496797322 269253487 /nfs/dbraw/zinc/25/34/87/269253487.db2.gz GYXXHXOKEMLZPE-OAHLLOKOSA-N 1 3 319.449 2.233 20 0 DEADHO C[NH2+]C[C@@H](C)CNC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496797322 269253488 /nfs/dbraw/zinc/25/34/88/269253488.db2.gz GYXXHXOKEMLZPE-OAHLLOKOSA-N 1 3 319.449 2.233 20 0 DEADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(N2CCOC2=O)c1 ZINC000497077157 269283817 /nfs/dbraw/zinc/28/38/17/269283817.db2.gz CVWPNZGYQOKPHB-JKSUJKDBSA-N 1 3 303.406 2.393 20 0 DEADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2CCCNC(=O)OC(C)(C)C)C1 ZINC000497227894 269295008 /nfs/dbraw/zinc/29/50/08/269295008.db2.gz PMVSXBHHSGBUCX-HUUCEWRRSA-N 1 3 311.470 2.317 20 0 DEADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2CCCNC(=O)OC(C)(C)C)C1 ZINC000497227894 269295010 /nfs/dbraw/zinc/29/50/10/269295010.db2.gz PMVSXBHHSGBUCX-HUUCEWRRSA-N 1 3 311.470 2.317 20 0 DEADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2CCCNC(=O)OC(C)(C)C)C1 ZINC000497227894 269295011 /nfs/dbraw/zinc/29/50/11/269295011.db2.gz PMVSXBHHSGBUCX-HUUCEWRRSA-N 1 3 311.470 2.317 20 0 DEADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2CCCNC(=O)OC(C)(C)C)C1 ZINC000497227894 269295013 /nfs/dbraw/zinc/29/50/13/269295013.db2.gz PMVSXBHHSGBUCX-HUUCEWRRSA-N 1 3 311.470 2.317 20 0 DEADHO CCO[C@@H]1C[C@](CO)(NC2CC[NH+](CC3CC3)CC2)C1(C)C ZINC000527113649 269516412 /nfs/dbraw/zinc/51/64/12/269516412.db2.gz WCPMWPHTELAXOU-SJLPKXTDSA-N 1 3 310.482 2.017 20 0 DEADHO COC(=O)c1ccc(F)c(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420321114 274003135 /nfs/dbraw/zinc/00/31/35/274003135.db2.gz CHSLWYDHFVAYFZ-LSDHHAIUSA-N 1 3 320.408 2.434 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)NC[C@@H]1CCC[NH2+]C1 ZINC000423202069 274161869 /nfs/dbraw/zinc/16/18/69/274161869.db2.gz AKCZCZASLUTJNT-UONOGXRCSA-N 1 3 305.422 2.002 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCNC1 ZINC000423202069 274161870 /nfs/dbraw/zinc/16/18/70/274161870.db2.gz AKCZCZASLUTJNT-UONOGXRCSA-N 1 3 305.422 2.002 20 0 DEADHO C([C@@H]1CC[N@H+](CC2CCC3(CC2)OCCO3)C1)N1CCCC1 ZINC000190245229 275396795 /nfs/dbraw/zinc/39/67/95/275396795.db2.gz FEQQXTWAZMTYDR-KRWDZBQOSA-N 1 3 308.466 2.337 20 0 DEADHO C([C@@H]1CC[N@@H+](CC2CCC3(CC2)OCCO3)C1)N1CCCC1 ZINC000190245229 275396799 /nfs/dbraw/zinc/39/67/99/275396799.db2.gz FEQQXTWAZMTYDR-KRWDZBQOSA-N 1 3 308.466 2.337 20 0 DEADHO C([C@@H]1CCN(CC2CCC3(CC2)OCCO3)C1)[NH+]1CCCC1 ZINC000190245229 275396802 /nfs/dbraw/zinc/39/68/02/275396802.db2.gz FEQQXTWAZMTYDR-KRWDZBQOSA-N 1 3 308.466 2.337 20 0 DEADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@@H](C)C[NH3+])N(C)C)cc1 ZINC000418197086 275603595 /nfs/dbraw/zinc/60/35/95/275603595.db2.gz SMTQYSXHURSCGK-YOEHRIQHSA-N 1 3 320.481 2.134 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000418351426 275748840 /nfs/dbraw/zinc/74/88/40/275748840.db2.gz LRXZZJDDNVZWKN-XOKHGSTOSA-N 1 3 318.465 2.189 20 0 DEADHO CCC[C@](C)([NH3+])C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000262095204 276051687 /nfs/dbraw/zinc/05/16/87/276051687.db2.gz BHKMBIKFHPEMLL-LESCRADOSA-N 1 3 303.450 2.283 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H]2CCCc3nc(C)sc32)CC1 ZINC000154304545 276195020 /nfs/dbraw/zinc/19/50/20/276195020.db2.gz FFPZDXJGIAHWOM-HNNXBMFYSA-N 1 3 322.522 2.446 20 0 DEADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H](N)C3CCC3)C2)CC1 ZINC000423359331 276198284 /nfs/dbraw/zinc/19/82/84/276198284.db2.gz OWYLFYKSAHKWND-RDJZCZTQSA-N 1 3 307.482 2.084 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+](C)[C@@H]2CCC[C@@H]2O)CC1 ZINC000348542107 276203336 /nfs/dbraw/zinc/20/33/36/276203336.db2.gz ASDRYJLCNYLKQD-MOPGFXCFSA-N 1 3 317.477 2.174 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+](C)[C@@H]2CCC[C@@H]2O)CC1 ZINC000348542107 276203337 /nfs/dbraw/zinc/20/33/37/276203337.db2.gz ASDRYJLCNYLKQD-MOPGFXCFSA-N 1 3 317.477 2.174 20 0 DEADHO CCCN(C)CC(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000452728068 276247036 /nfs/dbraw/zinc/24/70/36/276247036.db2.gz HQTPGAOAELRDCA-UHFFFAOYSA-N 1 3 317.477 2.499 20 0 DEADHO CCCN(C)CC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000452728068 276247038 /nfs/dbraw/zinc/24/70/38/276247038.db2.gz HQTPGAOAELRDCA-UHFFFAOYSA-N 1 3 317.477 2.499 20 0 DEADHO CC[NH+](CC)CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000353856195 276323342 /nfs/dbraw/zinc/32/33/42/276323342.db2.gz VQANWBKELUAVHR-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CCN1CCC([N@@H+]2CCCN(C[C@H]3CCCCO3)CC2)CC1 ZINC000420985749 276359076 /nfs/dbraw/zinc/35/90/76/276359076.db2.gz WSDUTYKUQXINRH-GOSISDBHSA-N 1 3 309.498 2.048 20 0 DEADHO CCN1CCC([N@H+]2CCCN(C[C@H]3CCCCO3)CC2)CC1 ZINC000420985749 276359077 /nfs/dbraw/zinc/35/90/77/276359077.db2.gz WSDUTYKUQXINRH-GOSISDBHSA-N 1 3 309.498 2.048 20 0 DEADHO CC[C@H](O)CCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422927617 276594267 /nfs/dbraw/zinc/59/42/67/276594267.db2.gz ZHCGZNPLUGJLDM-LESCRADOSA-N 1 3 304.434 2.383 20 0 DEADHO CN1CCC(NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000455850048 276843202 /nfs/dbraw/zinc/84/32/02/276843202.db2.gz DHDWWWALOGSCNN-QGZVFWFLSA-N 1 3 316.449 2.451 20 0 DEADHO CN1CCCN(CCC[NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000246956066 277051895 /nfs/dbraw/zinc/05/18/95/277051895.db2.gz IOBYVKKWGBKXOV-SFHVURJKSA-N 1 3 305.441 2.430 20 0 DEADHO CO[C@@H]1CC[N@H+](CCCN2CCN(C(C)C)CC2)CC1(C)C ZINC000451555688 277292206 /nfs/dbraw/zinc/29/22/06/277292206.db2.gz JWSYHGMXNVRCHZ-QGZVFWFLSA-N 1 3 311.514 2.149 20 0 DEADHO CO[C@@H]1CC[N@@H+](CCCN2CCN(C(C)C)CC2)CC1(C)C ZINC000451555688 277292207 /nfs/dbraw/zinc/29/22/07/277292207.db2.gz JWSYHGMXNVRCHZ-QGZVFWFLSA-N 1 3 311.514 2.149 20 0 DEADHO CC(C)(CCO)CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422990946 277297656 /nfs/dbraw/zinc/29/76/56/277297656.db2.gz CCCUUTFAGHZIDU-QAPCUYQASA-N 1 3 304.434 2.241 20 0 DEADHO CC(C)(C[C@@H]1CCCN([C@H]2CC[N@@H+]3CCC[C@H]3C2)C1)C(N)=O ZINC000453286819 277305060 /nfs/dbraw/zinc/30/50/60/277305060.db2.gz RHNZJROUFFEOSP-JYJNAYRXSA-N 1 3 307.482 2.227 20 0 DEADHO CC(C)(C[C@@H]1CCCN([C@H]2CC[N@H+]3CCC[C@H]3C2)C1)C(N)=O ZINC000453286819 277305061 /nfs/dbraw/zinc/30/50/61/277305061.db2.gz RHNZJROUFFEOSP-JYJNAYRXSA-N 1 3 307.482 2.227 20 0 DEADHO CC(C)(C[C@@H]1CCC[N@@H+]([C@H]2CCN3CCC[C@H]3C2)C1)C(N)=O ZINC000453286819 277305063 /nfs/dbraw/zinc/30/50/63/277305063.db2.gz RHNZJROUFFEOSP-JYJNAYRXSA-N 1 3 307.482 2.227 20 0 DEADHO CC(C)(C[C@@H]1CCC[N@H+]([C@H]2CCN3CCC[C@H]3C2)C1)C(N)=O ZINC000453286819 277305064 /nfs/dbraw/zinc/30/50/64/277305064.db2.gz RHNZJROUFFEOSP-JYJNAYRXSA-N 1 3 307.482 2.227 20 0 DEADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc2c(c1)CNC2 ZINC000416016450 278161359 /nfs/dbraw/zinc/16/13/59/278161359.db2.gz VEWGRQINMIATJP-CYBMUJFWSA-N 1 3 316.449 2.484 20 0 DEADHO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420331388 278200059 /nfs/dbraw/zinc/20/00/59/278200059.db2.gz BVJUIHQUDBEOQG-RZFLPCETSA-N 1 3 321.509 2.201 20 0 DEADHO C[C@@H](CC[NH3+])NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418538730 278229646 /nfs/dbraw/zinc/22/96/46/278229646.db2.gz FGCSDCBHTZEISB-DOTOQJQBSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000340907601 288087714 /nfs/dbraw/zinc/08/77/14/288087714.db2.gz XSXUKWJVKMUUQD-QLFBSQMISA-N 1 3 321.490 2.199 20 0 DEADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000340907601 288087716 /nfs/dbraw/zinc/08/77/16/288087716.db2.gz XSXUKWJVKMUUQD-QLFBSQMISA-N 1 3 321.490 2.199 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418233933 278980646 /nfs/dbraw/zinc/98/06/46/278980646.db2.gz HUMXDPHKAPTUAP-FUHWJXTLSA-N 1 3 324.513 2.186 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1CCCN1C ZINC000431770702 279120529 /nfs/dbraw/zinc/12/05/29/279120529.db2.gz LSPJWOBXYQFPOW-ULQDDVLXSA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000354264986 279266607 /nfs/dbraw/zinc/26/66/07/279266607.db2.gz IVSWHNYCZQNZQV-YESZJQIVSA-N 1 3 309.498 2.345 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000351904839 279269824 /nfs/dbraw/zinc/26/98/24/279269824.db2.gz QBZBGZPPGYUUFO-NVXWUHKLSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)N(C(=O)CN1CCCC2(CC[NH+](C)CC2)C1)C(C)C ZINC000366885186 279277455 /nfs/dbraw/zinc/27/74/55/279277455.db2.gz OYSOELBZDWHDMK-UHFFFAOYSA-N 1 3 309.498 2.440 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(C)cc1 ZINC000337573759 279302918 /nfs/dbraw/zinc/30/29/18/279302918.db2.gz FXABTJRVMRKCOU-GOSISDBHSA-N 1 3 317.477 2.483 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(C)cc1 ZINC000337573759 279302920 /nfs/dbraw/zinc/30/29/20/279302920.db2.gz FXABTJRVMRKCOU-GOSISDBHSA-N 1 3 317.477 2.483 20 0 DEADHO CCN1CCN(CCC[NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000442720994 279356629 /nfs/dbraw/zinc/35/66/29/279356629.db2.gz SUFXBFNSVJHTGW-UHFFFAOYSA-N 1 3 303.441 2.428 20 0 DEADHO C[C@@H]1CN(CCC2CC[NH+](CC3(C)COC3)CC2)C[C@@H](C)O1 ZINC000426774267 288156855 /nfs/dbraw/zinc/15/68/55/288156855.db2.gz NNXQCIDTFLPOLQ-HZPDHXFCSA-N 1 3 310.482 2.234 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)C[C@H](C)O1 ZINC000178036751 288161140 /nfs/dbraw/zinc/16/11/40/288161140.db2.gz WDYMDVRPHJXSFU-HSFUPAIVSA-N 1 3 311.514 2.194 20 0 DEADHO CC[C@H](O)[C@H](CC)[NH2+]Cc1ccccc1N1CCN(CC)CC1 ZINC000449642248 281005989 /nfs/dbraw/zinc/00/59/89/281005989.db2.gz WRWHQALPEGFPOT-HKUYNNGSSA-N 1 3 319.493 2.468 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000449367273 288326472 /nfs/dbraw/zinc/32/64/72/288326472.db2.gz UXMZDHCDCVCHDY-KQTLUZQSSA-N 1 3 321.490 2.103 20 0 DEADHO CC(C)(C)c1cccc(OCCN2CCC(O)(C[NH3+])CC2)c1 ZINC000071662868 281534227 /nfs/dbraw/zinc/53/42/27/281534227.db2.gz HTSPUQQXLDJCIJ-UHFFFAOYSA-N 1 3 306.450 2.149 20 0 DEADHO CN(C)CCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000133369770 282014632 /nfs/dbraw/zinc/01/46/32/282014632.db2.gz VIDFEIZUKDJHSU-UHFFFAOYSA-N 1 3 318.465 2.033 20 0 DEADHO CN(C)C[C@H](NC(=O)/C=C\C[NH+](C)C)c1ccc(Cl)cc1 ZINC000282770998 289040983 /nfs/dbraw/zinc/04/09/83/289040983.db2.gz DENKXKDDPGYQTJ-YVACAVLKSA-N 1 3 309.841 2.177 20 0 DEADHO C[C@H](C(=O)N1CCCCCC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357072679 289266045 /nfs/dbraw/zinc/26/60/45/289266045.db2.gz HNVSOUXOJZFWSU-NVXWUHKLSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H](c1ccccc1Cl)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221162488 290263133 /nfs/dbraw/zinc/26/31/33/290263133.db2.gz AZNTWLDQZGXFQT-CHWSQXEVSA-N 1 3 309.841 2.188 20 0 DEADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000431048443 290391673 /nfs/dbraw/zinc/39/16/73/290391673.db2.gz KLBRRPFAYMILIU-BBWFWOEESA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000431048443 290391675 /nfs/dbraw/zinc/39/16/75/290391675.db2.gz KLBRRPFAYMILIU-BBWFWOEESA-N 1 3 307.482 2.242 20 0 DEADHO COc1ccc([C@H](CNC(=O)CC[C@@H](C)[NH3+])N2CCCC2)cc1 ZINC000193290721 295241397 /nfs/dbraw/zinc/24/13/97/295241397.db2.gz MMGGMDKFCSYGOQ-PBHICJAKSA-N 1 3 319.449 2.076 20 0 DEADHO N[C@@H](CNC(=O)NCC[NH2+]C1CCCCCC1)c1ccccc1 ZINC000418453493 295295049 /nfs/dbraw/zinc/29/50/49/295295049.db2.gz PHZRUHFLJXUZSL-KRWDZBQOSA-N 1 3 318.465 2.298 20 0 DEADHO COc1cccc([C@@H](CNC(=O)CC[C@@H](C)[NH3+])N2CCCC2)c1 ZINC000193291577 295314137 /nfs/dbraw/zinc/31/41/37/295314137.db2.gz ZDZCKDOZRKQIKJ-RHSMWYFYSA-N 1 3 319.449 2.076 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC2(N(C)C)Cc3ccccc3C2)CCN1C ZINC000268921853 297283251 /nfs/dbraw/zinc/28/32/51/297283251.db2.gz UYTGAHIHSONAQT-QAPCUYQASA-N 1 3 301.478 2.158 20 0 DEADHO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC2(C1)CC[NH2+]CC2 ZINC000358507589 298186325 /nfs/dbraw/zinc/18/63/25/298186325.db2.gz KYAWAWKFAJGXIU-OAGGEKHMSA-N 1 3 307.482 2.145 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000458758074 302200863 /nfs/dbraw/zinc/20/08/63/302200863.db2.gz FMXPGXCWAGOVIR-UXLLHSPISA-N 1 3 320.481 2.236 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@H]1C)N(C)C ZINC000487374700 302207824 /nfs/dbraw/zinc/20/78/24/302207824.db2.gz GIYQLYWVFUYTFU-FZCLSBEQSA-N 1 3 317.477 2.300 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)N(C)C ZINC000487374700 302207826 /nfs/dbraw/zinc/20/78/26/302207826.db2.gz GIYQLYWVFUYTFU-FZCLSBEQSA-N 1 3 317.477 2.300 20 0 DEADHO [NH3+]CC[C@@H]1CCCN(CC(=O)N2CCC[C@H]3CCCC[C@H]32)C1 ZINC000261952269 303387047 /nfs/dbraw/zinc/38/70/47/303387047.db2.gz NHEBYVYENDCHJI-GVDBMIGSSA-N 1 3 307.482 2.228 20 0 DEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000565593446 325814722 /nfs/dbraw/zinc/81/47/22/325814722.db2.gz XGAAMDXWTYCCIH-FXUDXRNXSA-N 1 3 316.511 2.243 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CC[NH2+][C@@H]2C)N2CCCC2)cc1 ZINC000573320884 326045243 /nfs/dbraw/zinc/04/52/43/326045243.db2.gz PMZNFMGKLQMVNH-NXHRZFHOSA-N 1 3 315.461 2.246 20 0 DEADHO CC(C)(C)[N@@H+]1CCCN(C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000575027404 326211208 /nfs/dbraw/zinc/21/12/08/326211208.db2.gz MQLZRGBNOATSBQ-MRXNPFEDSA-N 1 3 318.465 2.202 20 0 DEADHO CC(C)(C)[N@H+]1CCCN(C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000575027404 326211209 /nfs/dbraw/zinc/21/12/09/326211209.db2.gz MQLZRGBNOATSBQ-MRXNPFEDSA-N 1 3 318.465 2.202 20 0 DEADHO Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@]3(C2)CCCN(C)C3)c1 ZINC000575861341 326251395 /nfs/dbraw/zinc/25/13/95/326251395.db2.gz XMZAIPKLDWYXSL-GOSISDBHSA-N 1 3 316.449 2.403 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)CC[NH2+]C1CC1)c1ccccc1 ZINC000577124757 326344787 /nfs/dbraw/zinc/34/47/87/326344787.db2.gz RGMZMSIKUUYBHA-AWEZNQCLSA-N 1 3 303.450 2.374 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000584288472 332215526 /nfs/dbraw/zinc/21/55/26/332215526.db2.gz OLYICKBZESKTRW-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]([NH2+]CCCOC1CCN(Cc2ccccc2)CC1)[C@H](C)O ZINC000583560039 335727895 /nfs/dbraw/zinc/72/78/95/335727895.db2.gz SFAPECFRLOHTHK-SJORKVTESA-N 1 3 320.477 2.417 20 0 DEADHO C[C@@H](CCNCCC(=O)Nc1cccnc1)[NH+]1CCCCC1 ZINC000583808430 337335726 /nfs/dbraw/zinc/33/57/26/337335726.db2.gz VENXARLSESBRAC-HNNXBMFYSA-N 1 3 304.438 2.264 20 0 DEADHO C[C@@H](CC[NH2+]CCC(=O)Nc1cccnc1)N1CCCCC1 ZINC000583808430 337335727 /nfs/dbraw/zinc/33/57/27/337335727.db2.gz VENXARLSESBRAC-HNNXBMFYSA-N 1 3 304.438 2.264 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1cccc(F)c1)N(C)C ZINC001376801060 1159804867 /nfs/dbraw/zinc/80/48/67/1159804867.db2.gz KEBONYUGRYCEKK-CZUORRHYSA-N 1 3 309.429 2.006 20 0 DEADHO CC(C)[C@@H](CCN(C)C(=O)[C@H]1CCCN1C)[NH2+]CC1CCC1 ZINC001378381047 1152310859 /nfs/dbraw/zinc/31/08/59/1152310859.db2.gz NLWNJJGRLISOGL-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001377459404 1160387640 /nfs/dbraw/zinc/38/76/40/1160387640.db2.gz JOTLXJRFTRSKQO-CVEARBPZSA-N 1 3 311.514 2.449 20 0 DEADHO CC[C@@H](C)C[N@H+]1CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001377459404 1160387646 /nfs/dbraw/zinc/38/76/46/1160387646.db2.gz JOTLXJRFTRSKQO-CVEARBPZSA-N 1 3 311.514 2.449 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)CCC2CC2)C1)N(C)C ZINC001398455095 1160896404 /nfs/dbraw/zinc/89/64/04/1160896404.db2.gz PBCCHOGBVDZQER-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CCC2CC2)C1)N(C)C ZINC001398455095 1160896406 /nfs/dbraw/zinc/89/64/06/1160896406.db2.gz PBCCHOGBVDZQER-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO C[C@@H](C[NH3+])CNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000417695118 533762844 /nfs/dbraw/zinc/76/28/44/533762844.db2.gz TYCDZZBAJDXQRG-GJZGRUSLSA-N 1 3 318.465 2.106 20 0 DEADHO C[C@@H](C[NH3+])NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000418564156 533794325 /nfs/dbraw/zinc/79/43/25/533794325.db2.gz IXZGHTOJURGASW-ZOBUZTSGSA-N 1 3 318.465 2.028 20 0 DEADHO C[C@H](CCNC(=O)NC[C@H](N)c1ccccc1)[NH+]1CCCCC1 ZINC000418022472 533928634 /nfs/dbraw/zinc/92/86/34/533928634.db2.gz RDNNZUXUOWBGPP-WBVHZDCISA-N 1 3 318.465 2.250 20 0 DEADHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(C)ccc1F)N(C)C ZINC001378841205 1152464149 /nfs/dbraw/zinc/46/41/49/1152464149.db2.gz JANWUOACWKQLBF-WMLDXEAASA-N 1 3 323.456 2.411 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)N[C@H](C)CCCC[NH3+])N(C)C)cc1 ZINC000417318014 534220339 /nfs/dbraw/zinc/22/03/39/534220339.db2.gz XVIIRJBEXHJHMX-NVXWUHKLSA-N 1 3 320.481 2.414 20 0 DEADHO CC(C)N(C[C@@H](O)COc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000339408877 519652414 /nfs/dbraw/zinc/65/24/14/519652414.db2.gz FTDPLIHEUNWBGG-DLBZAZTESA-N 1 3 306.450 2.136 20 0 DEADHO CC(C)[N@H+](C[C@@H](O)COc1ccccc1)C[C@H]1CCCNC1 ZINC000339408877 519652417 /nfs/dbraw/zinc/65/24/17/519652417.db2.gz FTDPLIHEUNWBGG-DLBZAZTESA-N 1 3 306.450 2.136 20 0 DEADHO CC(C)[N@@H+](C[C@@H](O)COc1ccccc1)C[C@H]1CCCNC1 ZINC000339408877 519652422 /nfs/dbraw/zinc/65/24/22/519652422.db2.gz FTDPLIHEUNWBGG-DLBZAZTESA-N 1 3 306.450 2.136 20 0 DEADHO CC(C)N(C[C@@H](O)COc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000339408880 519652777 /nfs/dbraw/zinc/65/27/77/519652777.db2.gz FTDPLIHEUNWBGG-IAGOWNOFSA-N 1 3 306.450 2.136 20 0 DEADHO CC(C)[N@H+](C[C@@H](O)COc1ccccc1)C[C@@H]1CCCNC1 ZINC000339408880 519652778 /nfs/dbraw/zinc/65/27/78/519652778.db2.gz FTDPLIHEUNWBGG-IAGOWNOFSA-N 1 3 306.450 2.136 20 0 DEADHO CC(C)[N@@H+](C[C@@H](O)COc1ccccc1)C[C@@H]1CCCNC1 ZINC000339408880 519652781 /nfs/dbraw/zinc/65/27/81/519652781.db2.gz FTDPLIHEUNWBGG-IAGOWNOFSA-N 1 3 306.450 2.136 20 0 DEADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H](C)N2CCCC[C@@H]2C)C1 ZINC000338299540 519863250 /nfs/dbraw/zinc/86/32/50/519863250.db2.gz WMEVKFQJODTHTL-YESZJQIVSA-N 1 3 324.513 2.280 20 0 DEADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H](C)N2CCCC[C@@H]2C)C1 ZINC000338299540 519863251 /nfs/dbraw/zinc/86/32/51/519863251.db2.gz WMEVKFQJODTHTL-YESZJQIVSA-N 1 3 324.513 2.280 20 0 DEADHO CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)CC(C)C ZINC000157612876 520337055 /nfs/dbraw/zinc/33/70/55/520337055.db2.gz ZQTSNAPCQQIKEJ-KRWDZBQOSA-N 1 3 305.466 2.383 20 0 DEADHO CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)CC(C)C ZINC000157612876 520337060 /nfs/dbraw/zinc/33/70/60/520337060.db2.gz ZQTSNAPCQQIKEJ-KRWDZBQOSA-N 1 3 305.466 2.383 20 0 DEADHO CCN1CCC(NC(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000338281146 521575867 /nfs/dbraw/zinc/57/58/67/521575867.db2.gz FBCPQHUOYPISEN-BZUAXINKSA-N 1 3 324.513 2.136 20 0 DEADHO CN(C)C[C@@H]1CC[N@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000338300694 521849677 /nfs/dbraw/zinc/84/96/77/521849677.db2.gz FLVQTOZVQZOYAY-DLBZAZTESA-N 1 3 315.461 2.032 20 0 DEADHO CN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000338300694 521849687 /nfs/dbraw/zinc/84/96/87/521849687.db2.gz FLVQTOZVQZOYAY-DLBZAZTESA-N 1 3 315.461 2.032 20 0 DEADHO C[NH+](C)C[C@@H]1CCN(C[C@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000338300694 521849697 /nfs/dbraw/zinc/84/96/97/521849697.db2.gz FLVQTOZVQZOYAY-DLBZAZTESA-N 1 3 315.461 2.032 20 0 DEADHO C[NH+](C)[C@@H](CNC(=O)CN1CCC2(CCC2)C1)c1ccccc1 ZINC000158900600 522011141 /nfs/dbraw/zinc/01/11/41/522011141.db2.gz HOEWCNOBYMBKLP-KRWDZBQOSA-N 1 3 315.461 2.282 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1CCCN(Cc2cccs2)C1)[C@H](C)[NH3+] ZINC000249025142 524200611 /nfs/dbraw/zinc/20/06/11/524200611.db2.gz LIPFRDVJLLNOIU-HZSPNIEDSA-N 1 3 309.479 2.060 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCC(C)CC1 ZINC000338403386 524425261 /nfs/dbraw/zinc/42/52/61/524425261.db2.gz CRJRHKQGOWWJPI-BRWVUGGUSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCC(C)CC1 ZINC000338403386 524425268 /nfs/dbraw/zinc/42/52/68/524425268.db2.gz CRJRHKQGOWWJPI-BRWVUGGUSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106530757 524602757 /nfs/dbraw/zinc/60/27/57/524602757.db2.gz IJQRQGPJENXDDJ-JKSUJKDBSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106530757 524602767 /nfs/dbraw/zinc/60/27/67/524602767.db2.gz IJQRQGPJENXDDJ-JKSUJKDBSA-N 1 3 322.497 2.177 20 0 DEADHO C(C[NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1)COC[C@H]1CCOC1 ZINC000422776158 527485706 /nfs/dbraw/zinc/48/57/06/527485706.db2.gz DEXOQKYUMKYZAG-XDNAFOTISA-N 1 3 310.482 2.330 20 0 DEADHO CC(C)(C(=O)NCCC[C@H]1CCC[NH2+]1)[C@@H](N)c1ccccc1 ZINC000417841283 527518192 /nfs/dbraw/zinc/51/81/92/527518192.db2.gz SXXKCTQVZKEVDE-CVEARBPZSA-N 1 3 303.450 2.361 20 0 DEADHO CC(C)(C(=O)NCC[C@@H]1CCC[NH2+]C1)[C@@H](N)c1ccccc1 ZINC000417787454 527520393 /nfs/dbraw/zinc/52/03/93/527520393.db2.gz DTEYUNKOYAPJEU-HOCLYGCPSA-N 1 3 303.450 2.219 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]CCC[C@@H](C)O)CC1 ZINC000433203463 527711557 /nfs/dbraw/zinc/71/15/57/527711557.db2.gz XTJKOVGLERCQLC-MRXNPFEDSA-N 1 3 305.466 2.079 20 0 DEADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCN[C@@H](C)[C@@H]2C)c1 ZINC000417404667 527842646 /nfs/dbraw/zinc/84/26/46/527842646.db2.gz OYJRZLLVLGCUOB-GJZGRUSLSA-N 1 3 318.465 2.030 20 0 DEADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCN[C@@H](C)[C@@H]2C)c1 ZINC000417404667 527842652 /nfs/dbraw/zinc/84/26/52/527842652.db2.gz OYJRZLLVLGCUOB-GJZGRUSLSA-N 1 3 318.465 2.030 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000448213237 527986019 /nfs/dbraw/zinc/98/60/19/527986019.db2.gz OABXQOFYJHEXTN-ZACQAIPSSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000448213237 527986023 /nfs/dbraw/zinc/98/60/23/527986023.db2.gz OABXQOFYJHEXTN-ZACQAIPSSA-N 1 3 324.513 2.136 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@H](N)c1ccccc1 ZINC000418209190 527996363 /nfs/dbraw/zinc/99/63/63/527996363.db2.gz WJYJAXHGLQZQRT-HOCLYGCPSA-N 1 3 306.454 2.106 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@H](N)c1ccccc1 ZINC000418209190 527996369 /nfs/dbraw/zinc/99/63/69/527996369.db2.gz WJYJAXHGLQZQRT-HOCLYGCPSA-N 1 3 306.454 2.106 20 0 DEADHO CC(C)CN1CCO[C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422773754 528018864 /nfs/dbraw/zinc/01/88/64/528018864.db2.gz UXWUIKVTRSQXPN-NCXUSEDFSA-N 1 3 323.525 2.244 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418716613 528082122 /nfs/dbraw/zinc/08/21/22/528082122.db2.gz JFVHRPALVGBOGK-SJORKVTESA-N 1 3 324.513 2.411 20 0 DEADHO CCN1CC[C@H](NC(=O)N[C@@H]2CCCC[C@@H]2C[NH+](CC)CC)C1 ZINC000413832759 528180905 /nfs/dbraw/zinc/18/09/05/528180905.db2.gz HXHRIOGDSIKHQE-IXDOHACOSA-N 1 3 324.513 2.280 20 0 DEADHO CCC[NH+]1CCC(NC(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000447975231 528199962 /nfs/dbraw/zinc/19/99/62/528199962.db2.gz ZCKSKEBDQAGFBD-MRXNPFEDSA-N 1 3 324.513 2.280 20 0 DEADHO CC[NH2+][C@H](C)CNC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000418166676 528409495 /nfs/dbraw/zinc/40/94/95/528409495.db2.gz LHMNFDLRRHSQMO-MCIONIFRSA-N 1 3 310.442 2.006 20 0 DEADHO CC[NH2+][C@H](C)CNC(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000418179847 528414936 /nfs/dbraw/zinc/41/49/36/528414936.db2.gz JXRIIFHAMAUVFW-BFYDXBDKSA-N 1 3 320.481 2.283 20 0 DEADHO CCN(Cc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1)C1CC1 ZINC000429179841 528773792 /nfs/dbraw/zinc/77/37/92/528773792.db2.gz HBVKLLNCDAQNTE-KBXCAEBGSA-N 1 3 315.461 2.480 20 0 DEADHO CC(C)[NH+](CCCNC(=O)NC[C@@H](N)c1ccccc1)C(C)C ZINC000417799563 528883156 /nfs/dbraw/zinc/88/31/56/528883156.db2.gz RRFFLSOYKXIMEI-QGZVFWFLSA-N 1 3 320.481 2.495 20 0 DEADHO CCCC[C@H](C[NH3+])NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000418446100 528937052 /nfs/dbraw/zinc/93/70/52/528937052.db2.gz AAQTWEAZUJXLEB-OAHLLOKOSA-N 1 3 310.486 2.164 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000417583983 528999456 /nfs/dbraw/zinc/99/94/56/528999456.db2.gz LRZSDGHDMOIKDO-QGZVFWFLSA-N 1 3 318.465 2.031 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000417585382 529010318 /nfs/dbraw/zinc/01/03/18/529010318.db2.gz PABIPXYWWNDCJH-KRWDZBQOSA-N 1 3 324.513 2.411 20 0 DEADHO CC(C)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)N1CCOCC1 ZINC000422806779 529013876 /nfs/dbraw/zinc/01/38/76/529013876.db2.gz NRHDMXJRRAJYQL-MKXGPGLRSA-N 1 3 323.525 2.244 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N(C)C1CC[NH2+]CC1)c1ccco1 ZINC000418170010 529182655 /nfs/dbraw/zinc/18/26/55/529182655.db2.gz RAEFVBHIKPXANG-DZGCQCFKSA-N 1 3 322.453 2.102 20 0 DEADHO CC[C@H](C)[NH2+][C@H](CNC(=O)N1C[C@H](C)NC[C@H]1C)c1ccco1 ZINC000418170806 529182703 /nfs/dbraw/zinc/18/27/03/529182703.db2.gz SNZYBYFKNLBINZ-BYNSBNAKSA-N 1 3 322.453 2.101 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)c1ccco1 ZINC000418166055 529182875 /nfs/dbraw/zinc/18/28/75/529182875.db2.gz KHACGHZHOKBFGH-GBJTYRQASA-N 1 3 322.453 2.135 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000417694009 529200524 /nfs/dbraw/zinc/20/05/24/529200524.db2.gz CICKKIMCLDZEDI-HOTGVXAUSA-N 1 3 310.486 2.082 20 0 DEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@@H](C)NC[C@H]2C)C1 ZINC000417590248 529297138 /nfs/dbraw/zinc/29/71/38/529297138.db2.gz WFEDPMWERRQKSM-BZUAXINKSA-N 1 3 324.513 2.279 20 0 DEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@@H](C)NC[C@H]2C)C1 ZINC000417590248 529297139 /nfs/dbraw/zinc/29/71/39/529297139.db2.gz WFEDPMWERRQKSM-BZUAXINKSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)(CNC(=O)NC1CCN(C2CC2)CC1)C[NH+]1CCCC1 ZINC000358233835 535119909 /nfs/dbraw/zinc/11/99/09/535119909.db2.gz HRWWTKQAYHLHST-UHFFFAOYSA-N 1 3 322.497 2.034 20 0 DEADHO CC(C)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCCCC1 ZINC000456316128 535326401 /nfs/dbraw/zinc/32/64/01/535326401.db2.gz FJHFZMULPBURDF-NPYXIHBLSA-N 1 3 307.482 2.238 20 0 DEADHO CC(C)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCCCC1 ZINC000456316128 535326402 /nfs/dbraw/zinc/32/64/02/535326402.db2.gz FJHFZMULPBURDF-NPYXIHBLSA-N 1 3 307.482 2.238 20 0 DEADHO CC[NH2+]CC1CCN(Cc2cc(OC)c3c(c2)OCCO3)CC1 ZINC000347187478 535459484 /nfs/dbraw/zinc/45/94/84/535459484.db2.gz CCGRXQMJKXOLER-UHFFFAOYSA-N 1 3 320.433 2.288 20 0 DEADHO CN(C)CCOc1ccccc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192779876 535915216 /nfs/dbraw/zinc/91/52/16/535915216.db2.gz CTQNNQPJXQEHQG-AYHJJNSGSA-N 1 3 317.477 2.342 20 0 DEADHO CN(C)CCOc1ccccc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192779876 535915220 /nfs/dbraw/zinc/91/52/20/535915220.db2.gz CTQNNQPJXQEHQG-AYHJJNSGSA-N 1 3 317.477 2.342 20 0 DEADHO CN(C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377801675 536047546 /nfs/dbraw/zinc/04/75/46/536047546.db2.gz ABEHFMLLOMMAEL-ZWKOTPCHSA-N 1 3 315.461 2.000 20 0 DEADHO CN1CCC2(CCCN2C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000374323023 536347834 /nfs/dbraw/zinc/34/78/34/536347834.db2.gz GRQWYIDYLXKZKF-UHFFFAOYSA-N 1 3 322.497 2.132 20 0 DEADHO CN(CCN(C)C1CC1)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000450703529 536366442 /nfs/dbraw/zinc/36/64/42/536366442.db2.gz SYWKIPACRZSBQT-QGZVFWFLSA-N 1 3 307.482 2.336 20 0 DEADHO CN(CCN(C)C1CC1)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000450703529 536366443 /nfs/dbraw/zinc/36/64/43/536366443.db2.gz SYWKIPACRZSBQT-QGZVFWFLSA-N 1 3 307.482 2.336 20 0 DEADHO CN1CCC[C@H](CNC(=O)C[C@H]2CCC[NH2+]2)[C@@H]1c1cccs1 ZINC000246519174 536385919 /nfs/dbraw/zinc/38/59/19/536385919.db2.gz RDQYAPXHSPAAHD-CKEIUWERSA-N 1 3 321.490 2.389 20 0 DEADHO Cc1cccc(C[NH2+][C@H](C)CN(C)C(=O)CN(C)C(C)C)c1 ZINC001425692276 1174462617 /nfs/dbraw/zinc/46/26/17/1174462617.db2.gz HGKSGBXVZRKPIB-MRXNPFEDSA-N 1 3 305.466 2.272 20 0 DEADHO C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)CC[N@H+]1CCC1CC1 ZINC001368696392 1148586027 /nfs/dbraw/zinc/58/60/27/1148586027.db2.gz QPNSHIZQZUJIFU-GOEBONIOSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)CC[N@@H+]1CCC1CC1 ZINC001368696392 1148586013 /nfs/dbraw/zinc/58/60/13/1148586013.db2.gz QPNSHIZQZUJIFU-GOEBONIOSA-N 1 3 307.482 2.240 20 0 DEADHO Cc1ccc(C)c(C[N@@H+](C)CCN(C)C(=O)CN2CCCC2)c1 ZINC001379130364 1152577455 /nfs/dbraw/zinc/57/74/55/1152577455.db2.gz JMBSJUDPEKIADD-UHFFFAOYSA-N 1 3 317.477 2.289 20 0 DEADHO Cc1ccc(C)c(C[N@H+](C)CCN(C)C(=O)CN2CCCC2)c1 ZINC001379130364 1152577456 /nfs/dbraw/zinc/57/74/56/1152577456.db2.gz JMBSJUDPEKIADD-UHFFFAOYSA-N 1 3 317.477 2.289 20 0 DEADHO CCC[NH2+][C@H](C)CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001379211225 1152591015 /nfs/dbraw/zinc/59/10/15/1152591015.db2.gz BSBICRADJXMUAG-CZUORRHYSA-N 1 3 301.450 2.045 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CCCCN1C ZINC001426954503 1174895799 /nfs/dbraw/zinc/89/57/99/1174895799.db2.gz MJXFOPYNOFYZBY-HOTGVXAUSA-N 1 3 310.486 2.034 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1CCCCN1C ZINC001426954503 1174895800 /nfs/dbraw/zinc/89/58/00/1174895800.db2.gz MJXFOPYNOFYZBY-HOTGVXAUSA-N 1 3 310.486 2.034 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCCOc1ccccc1 ZINC001327771369 1148641187 /nfs/dbraw/zinc/64/11/87/1148641187.db2.gz AWDHXTHUESAEOY-INIZCTEOSA-N 1 3 318.465 2.444 20 0 DEADHO Cc1cc(CN2CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]2C)cs1 ZINC001368783143 1148655725 /nfs/dbraw/zinc/65/57/25/1148655725.db2.gz UKXCKFHZULVQIN-ZBFHGGJFSA-N 1 3 323.506 2.477 20 0 DEADHO Cc1cc(C)cc(C[NH2+]C[C@@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001379384473 1152617862 /nfs/dbraw/zinc/61/78/62/1152617862.db2.gz VSQRMVBBKOKXHH-MRXNPFEDSA-N 1 3 317.477 2.382 20 0 DEADHO C[NH+](C)CC1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825859177 607539512 /nfs/dbraw/zinc/53/95/12/607539512.db2.gz DJAVSKLWKCWKIE-UHFFFAOYSA-N 1 3 314.437 2.077 20 0 DEADHO C[NH+](C)CC1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825859177 607539513 /nfs/dbraw/zinc/53/95/13/607539513.db2.gz DJAVSKLWKCWKIE-UHFFFAOYSA-N 1 3 314.437 2.077 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(C)C)[C@@H]2C1 ZINC001379634003 1152659392 /nfs/dbraw/zinc/65/93/92/1152659392.db2.gz YRUUJFCITQITJI-BBWFWOEESA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCF ZINC001380686414 1152844486 /nfs/dbraw/zinc/84/44/86/1152844486.db2.gz ZNIUHJXMPOHXRD-MUJYYYPQSA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCF ZINC001380686414 1152844488 /nfs/dbraw/zinc/84/44/88/1152844488.db2.gz ZNIUHJXMPOHXRD-MUJYYYPQSA-N 1 3 313.461 2.045 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H]([N@H+](C)CC3CCCC3)C2)CC1 ZINC000972612174 625355717 /nfs/dbraw/zinc/35/57/17/625355717.db2.gz IOQRBBIAECECKR-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CC3CCCC3)C2)CC1 ZINC000972612174 625355722 /nfs/dbraw/zinc/35/57/22/625355722.db2.gz IOQRBBIAECECKR-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)CN1CCC[C@@H](C[NH2+][C@H]2CCOC23CCOCC3)C1 ZINC000925585882 625414145 /nfs/dbraw/zinc/41/41/45/625414145.db2.gz AVDQYZRDVDNLHF-IRXDYDNUSA-N 1 3 310.482 2.282 20 0 DEADHO CC(C)(C)S(=O)(=O)CCN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925600924 625437472 /nfs/dbraw/zinc/43/74/72/625437472.db2.gz XUGKZWVFRTTXNU-HNNXBMFYSA-N 1 3 312.479 2.270 20 0 DEADHO CC1CCC(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC000969595311 622836337 /nfs/dbraw/zinc/83/63/37/622836337.db2.gz VFVPTNFTTZDBRQ-BHUNQDJPSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCCC2)C1 ZINC000969650285 622862789 /nfs/dbraw/zinc/86/27/89/622862789.db2.gz RHNZGNNEFBZSSK-YJBOKZPZSA-N 1 3 321.509 2.486 20 0 DEADHO CC[C@H](NCC1CC[NH+](C)CC1)c1nnc2n1CCCCC2 ZINC000892791191 625605362 /nfs/dbraw/zinc/60/53/62/625605362.db2.gz LQGLPSDVVSAMOL-HNNXBMFYSA-N 1 3 305.470 2.387 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001020586683 622927943 /nfs/dbraw/zinc/92/79/43/622927943.db2.gz VVZRIPHJWWCLLZ-JQFCIGGWSA-N 1 3 319.424 2.047 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H](NCc2ccccc2F)C1)[NH+](C)C ZINC000969845488 622948158 /nfs/dbraw/zinc/94/81/58/622948158.db2.gz DNVRKLKSKFGIJR-NVXWUHKLSA-N 1 3 321.440 2.102 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC2)C1 ZINC001020675759 623060547 /nfs/dbraw/zinc/06/05/47/623060547.db2.gz DVAIPZSSSMJYEO-ULQDDVLXSA-N 1 3 307.482 2.286 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1 ZINC001021096102 623344462 /nfs/dbraw/zinc/34/44/62/623344462.db2.gz GKKAWMDPXGJMGW-KZNAEPCWSA-N 1 3 315.461 2.298 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001021254585 623455830 /nfs/dbraw/zinc/45/58/30/623455830.db2.gz QCEJVTICJXJWQB-NPYXIHBLSA-N 1 3 307.482 2.379 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001021254585 623455832 /nfs/dbraw/zinc/45/58/32/623455832.db2.gz QCEJVTICJXJWQB-NPYXIHBLSA-N 1 3 307.482 2.379 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001021380812 623578486 /nfs/dbraw/zinc/57/84/86/623578486.db2.gz WULXFDGDRMULED-CCNLRDMRSA-N 1 3 319.493 2.382 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001021380812 623578491 /nfs/dbraw/zinc/57/84/91/623578491.db2.gz WULXFDGDRMULED-CCNLRDMRSA-N 1 3 319.493 2.382 20 0 DEADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)C1(C[NH3+])CCCC1 ZINC000261532285 623839318 /nfs/dbraw/zinc/83/93/18/623839318.db2.gz ABWIDDVFTCHNRK-HNNXBMFYSA-N 1 3 303.450 2.142 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CC2)C1 ZINC001024278672 625686752 /nfs/dbraw/zinc/68/67/52/625686752.db2.gz QNNFUSWEEKXFHJ-IAGOWNOFSA-N 1 3 307.482 2.099 20 0 DEADHO CN(C)[C@H](CNC(=O)N(C)[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000891476042 624211298 /nfs/dbraw/zinc/21/12/98/624211298.db2.gz LPYNDBQLVAVFRD-IAGOWNOFSA-N 1 3 318.465 2.025 20 0 DEADHO CN(C)[C@H](CNC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000891476042 624211299 /nfs/dbraw/zinc/21/12/99/624211299.db2.gz LPYNDBQLVAVFRD-IAGOWNOFSA-N 1 3 318.465 2.025 20 0 DEADHO C[NH+]1CCC(CN2CCN(Cc3ccc(Cl)nc3)CC2)CC1 ZINC000892068108 624768922 /nfs/dbraw/zinc/76/89/22/624768922.db2.gz FGYWDNHCAJTAKH-UHFFFAOYSA-N 1 3 322.884 2.194 20 0 DEADHO Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@H]3C)C2)cs1 ZINC001022712133 624864261 /nfs/dbraw/zinc/86/42/61/624864261.db2.gz JQWRYTOYXANAFQ-WQVCFCJDSA-N 1 3 321.490 2.278 20 0 DEADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccsc3)C2)C1 ZINC001022716592 624869874 /nfs/dbraw/zinc/86/98/74/624869874.db2.gz AVEFLWSNYVTJOH-GASCZTMLSA-N 1 3 321.490 2.217 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000972333180 624931869 /nfs/dbraw/zinc/93/18/69/624931869.db2.gz UMEKESHKJGZRPA-SJLPKXTDSA-N 1 3 315.461 2.204 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000972333180 624931872 /nfs/dbraw/zinc/93/18/72/624931872.db2.gz UMEKESHKJGZRPA-SJLPKXTDSA-N 1 3 315.461 2.204 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([N@H+](C)CC3CCCCC3)C2)C1 ZINC000972336563 624933586 /nfs/dbraw/zinc/93/35/86/624933586.db2.gz YIXGQKYRSNXALK-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CC3CCCCC3)C2)C1 ZINC000972336563 624933589 /nfs/dbraw/zinc/93/35/89/624933589.db2.gz YIXGQKYRSNXALK-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO C[NH+](C)CCOc1cc(CNc2cc(N)ncc2Cl)ccn1 ZINC000893038814 625067665 /nfs/dbraw/zinc/06/76/65/625067665.db2.gz XJWIRXPKWWALND-UHFFFAOYSA-N 1 3 321.812 2.265 20 0 DEADHO CN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CCCN(C)C1 ZINC000893065903 625088288 /nfs/dbraw/zinc/08/82/88/625088288.db2.gz PUBLSEPXNMTHOI-CABCVRRESA-N 1 3 312.502 2.088 20 0 DEADHO CC1CCN([C@@H](CN[C@H]2C[NH2+]CCOC2)c2cccs2)CC1 ZINC000925503576 625107127 /nfs/dbraw/zinc/10/71/27/625107127.db2.gz OJUKDNNTTAJOOK-HOTGVXAUSA-N 1 3 323.506 2.099 20 0 DEADHO CC1(C)[C@@H](NC[C@@H](CO)Cc2ccccc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925504614 625113734 /nfs/dbraw/zinc/11/37/34/625113734.db2.gz QKMKXADWMQIYMI-MHORFTMASA-N 1 3 302.462 2.204 20 0 DEADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@@H](CO)Cc1ccccc1 ZINC000925504614 625113739 /nfs/dbraw/zinc/11/37/39/625113739.db2.gz QKMKXADWMQIYMI-MHORFTMASA-N 1 3 302.462 2.204 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CCC1)C1CC1 ZINC001024984138 625127281 /nfs/dbraw/zinc/12/72/81/625127281.db2.gz DIEFILBJXFJLPY-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(C)C ZINC001026086853 625131729 /nfs/dbraw/zinc/13/17/29/625131729.db2.gz UMMBPMRMXFSMSD-IECFSIQFSA-N 1 3 321.509 2.342 20 0 DEADHO CC[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(C)C ZINC001026086853 625131731 /nfs/dbraw/zinc/13/17/31/625131731.db2.gz UMMBPMRMXFSMSD-IECFSIQFSA-N 1 3 321.509 2.342 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CC3)C2)c1 ZINC001023125983 625163684 /nfs/dbraw/zinc/16/36/84/625163684.db2.gz CJFCDZCDTRCJHI-CALCHBBNSA-N 1 3 301.434 2.009 20 0 DEADHO CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001023126226 625164112 /nfs/dbraw/zinc/16/41/12/625164112.db2.gz NROBCEKZFYHCSI-CALCHBBNSA-N 1 3 303.450 2.255 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001023130897 625164845 /nfs/dbraw/zinc/16/48/45/625164845.db2.gz LLCSQRHHKGUZCX-OWCLPIDISA-N 1 3 321.490 2.359 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001023402895 625255046 /nfs/dbraw/zinc/25/50/46/625255046.db2.gz VUAZSRKVRDUREL-QZTJIDSGSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001023402895 625255052 /nfs/dbraw/zinc/25/50/52/625255052.db2.gz VUAZSRKVRDUREL-QZTJIDSGSA-N 1 3 321.509 2.489 20 0 DEADHO F[C@@H]1CC2(CC[C@@H]1[NH2+]CCCN1CCCCC1)OCCO2 ZINC000892461835 625722841 /nfs/dbraw/zinc/72/28/41/625722841.db2.gz JUDQJZVAZKUOKA-CABCVRRESA-N 1 3 300.418 2.086 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](C(C)C)C[C@H]21 ZINC000978954253 634463805 /nfs/dbraw/zinc/46/38/05/634463805.db2.gz WEVBGYXFPPQLNL-ZJPYXAASSA-N 1 3 321.509 2.343 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](C(C)C)C[C@H]21 ZINC000978954253 634463807 /nfs/dbraw/zinc/46/38/07/634463807.db2.gz WEVBGYXFPPQLNL-ZJPYXAASSA-N 1 3 321.509 2.343 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]([NH2+]Cc2ccsc2)C1)C1CCC1 ZINC000999379118 634574117 /nfs/dbraw/zinc/57/41/17/634574117.db2.gz PPTKQFBOCUKWBB-OAHLLOKOSA-N 1 3 321.490 2.313 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)C2CC([NH2+]CC3CCCCC3)C2)C1 ZINC000999409008 634585696 /nfs/dbraw/zinc/58/56/96/634585696.db2.gz OACLAHJAXYQVJN-FAEJEUNOSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1CCCN1CC(=O)N(C)C1CC([NH2+]CC2CC(C)(C)C2)C1 ZINC000999405814 634585739 /nfs/dbraw/zinc/58/57/39/634585739.db2.gz JNGVOAYSKGXAMC-OOHWJJMZSA-N 1 3 321.509 2.486 20 0 DEADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@@H](NCCF)C1 ZINC000999556559 634627314 /nfs/dbraw/zinc/62/73/14/634627314.db2.gz JQYVDSWNABUUAX-CQSZACIVSA-N 1 3 313.461 2.190 20 0 DEADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@@H](NCCF)C1 ZINC000999556559 634627322 /nfs/dbraw/zinc/62/73/22/634627322.db2.gz JQYVDSWNABUUAX-CQSZACIVSA-N 1 3 313.461 2.190 20 0 DEADHO CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC000979708968 634745615 /nfs/dbraw/zinc/74/56/15/634745615.db2.gz GBLMABBPTKTZGU-GVDBMIGSSA-N 1 3 321.509 2.488 20 0 DEADHO CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC000979708968 634745617 /nfs/dbraw/zinc/74/56/17/634745617.db2.gz GBLMABBPTKTZGU-GVDBMIGSSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)C1(C(=O)N2C[C@@H]([NH2+]CCC3CC3)C(C)(C)C2)CCC1 ZINC000995882691 633136997 /nfs/dbraw/zinc/13/69/97/633136997.db2.gz AAMIDXJIXXCOFG-OAHLLOKOSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)=CCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974589070 633161502 /nfs/dbraw/zinc/16/15/02/633161502.db2.gz SKEVBOOHNUSGCW-BZUAXINKSA-N 1 3 307.482 2.119 20 0 DEADHO CC(C)=CCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974589070 633161505 /nfs/dbraw/zinc/16/15/05/633161505.db2.gz SKEVBOOHNUSGCW-BZUAXINKSA-N 1 3 307.482 2.119 20 0 DEADHO CN(CC(=O)N1CC[C@@H](C[NH2+]CC2CCCCC2)C1)C1CCC1 ZINC001026888328 633247472 /nfs/dbraw/zinc/24/74/72/633247472.db2.gz DHLIKSOLLBGLRO-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccsc2)C1)C1CC1 ZINC001026888188 633248264 /nfs/dbraw/zinc/24/82/64/633248264.db2.gz ACIGZELMMCRINI-CZUORRHYSA-N 1 3 321.490 2.026 20 0 DEADHO CC(C)[NH2+][C@@H]1CN(C(=O)[C@@H](C)N2CCCCCC2)CC1(C)C ZINC000996372523 633249331 /nfs/dbraw/zinc/24/93/31/633249331.db2.gz DJYSHZVFICVPFS-HZPDHXFCSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]CC2CCCCC2)C1)N(C)C ZINC001026916834 633262621 /nfs/dbraw/zinc/26/26/21/633262621.db2.gz PWQWHZSDPGWPBK-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1C[N@H+](CC2CC2)CC1(C)C ZINC000974760305 633285270 /nfs/dbraw/zinc/28/52/70/633285270.db2.gz QGPFOKPGFQMIPR-IRXDYDNUSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](CC2CC2)CC1(C)C ZINC000974760305 633285275 /nfs/dbraw/zinc/28/52/75/633285275.db2.gz QGPFOKPGFQMIPR-IRXDYDNUSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974864775 633339811 /nfs/dbraw/zinc/33/98/11/633339811.db2.gz RDRJYSNVOVLFSP-CVEARBPZSA-N 1 3 307.482 2.096 20 0 DEADHO CC(C)[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974864775 633339814 /nfs/dbraw/zinc/33/98/14/633339814.db2.gz RDRJYSNVOVLFSP-CVEARBPZSA-N 1 3 307.482 2.096 20 0 DEADHO CCC[N@@H+]1C[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974865906 633340272 /nfs/dbraw/zinc/34/02/72/633340272.db2.gz XSDODAZDNUDODS-JKSUJKDBSA-N 1 3 307.482 2.097 20 0 DEADHO CCC[N@H+]1C[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974865906 633340276 /nfs/dbraw/zinc/34/02/76/633340276.db2.gz XSDODAZDNUDODS-JKSUJKDBSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001027064019 633385413 /nfs/dbraw/zinc/38/54/13/633385413.db2.gz XKMCVCDAUKGVPP-WMZOPIPTSA-N 1 3 321.509 2.489 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC[C@H](C[NH2+]CC3CCCC3)C2)C1 ZINC001027063442 633385632 /nfs/dbraw/zinc/38/56/32/633385632.db2.gz LHTZGLOBTOMIHX-QGZVFWFLSA-N 1 3 321.509 2.347 20 0 DEADHO CCN1C[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975039974 633393624 /nfs/dbraw/zinc/39/36/24/633393624.db2.gz OLKQIGSGKPXVNE-DYVFJYSZSA-N 1 3 313.461 2.045 20 0 DEADHO CCN1C[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975039974 633393627 /nfs/dbraw/zinc/39/36/27/633393627.db2.gz OLKQIGSGKPXVNE-DYVFJYSZSA-N 1 3 313.461 2.045 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC001027217572 633500749 /nfs/dbraw/zinc/50/07/49/633500749.db2.gz MASOVPHJJNIILC-SFHVURJKSA-N 1 3 315.461 2.029 20 0 DEADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001027217316 633500767 /nfs/dbraw/zinc/50/07/67/633500767.db2.gz IGAYDSPGDZMOSN-KRWDZBQOSA-N 1 3 307.482 2.101 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](C(C)C)CC1 ZINC000997118006 633600198 /nfs/dbraw/zinc/60/01/98/633600198.db2.gz AWDSURQOJVWPNN-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[NH2+]C1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000997355827 633712247 /nfs/dbraw/zinc/71/22/47/633712247.db2.gz BMRTULCKOYNOFT-UHFFFAOYSA-N 1 3 303.450 2.351 20 0 DEADHO CC1CC(C[NH2+]CC2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC000997829869 634002967 /nfs/dbraw/zinc/00/29/67/634002967.db2.gz DPBNHDXDQLCARO-PVARCSIZSA-N 1 3 321.509 2.201 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CCC2)C1)N(C)C ZINC001027563116 634150742 /nfs/dbraw/zinc/15/07/42/634150742.db2.gz FVFDCAKAUXEYAZ-IAGOWNOFSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC2)C1)N(C)C ZINC001027563116 634150745 /nfs/dbraw/zinc/15/07/45/634150745.db2.gz FVFDCAKAUXEYAZ-IAGOWNOFSA-N 1 3 309.498 2.296 20 0 DEADHO C[N@H+](CC1=CCCCC1)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027598073 634248096 /nfs/dbraw/zinc/24/80/96/634248096.db2.gz RHOPAQOUPFQLLB-KRWDZBQOSA-N 1 3 316.449 2.375 20 0 DEADHO C[N@@H+](CC1=CCCCC1)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027598073 634248100 /nfs/dbraw/zinc/24/81/00/634248100.db2.gz RHOPAQOUPFQLLB-KRWDZBQOSA-N 1 3 316.449 2.375 20 0 DEADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]CC2CC3(CCC3)C2)C1 ZINC000998553086 634324419 /nfs/dbraw/zinc/32/44/19/634324419.db2.gz VABQOOQYAIWMSF-JCYILVPMSA-N 1 3 319.493 2.240 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CC1 ZINC001027879810 634852879 /nfs/dbraw/zinc/85/28/79/634852879.db2.gz YNQRCHMRPVSDTI-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1CC1 ZINC001027879810 634852884 /nfs/dbraw/zinc/85/28/84/634852884.db2.gz YNQRCHMRPVSDTI-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO C[N@H+](CC1CC(C)(C)C1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980405832 634988799 /nfs/dbraw/zinc/98/87/99/634988799.db2.gz KSXCIOZUKIIJIN-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO C[N@@H+](CC1CC(C)(C)C1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980405832 634988803 /nfs/dbraw/zinc/98/88/03/634988803.db2.gz KSXCIOZUKIIJIN-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1C[C@H](C[NH2+]Cc2ccsc2)CN1C(=O)Cc1c[nH]cn1 ZINC000980709373 635109046 /nfs/dbraw/zinc/10/90/46/635109046.db2.gz WQOOOSDGBSVETB-TZMCWYRMSA-N 1 3 318.446 2.041 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000837189058 650173200 /nfs/dbraw/zinc/17/32/00/650173200.db2.gz HKFNDAVCNFLGJB-PBHICJAKSA-N 1 3 313.461 2.140 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000837189058 650173203 /nfs/dbraw/zinc/17/32/03/650173203.db2.gz HKFNDAVCNFLGJB-PBHICJAKSA-N 1 3 313.461 2.140 20 0 DEADHO C[C@@H]1C[C@H](C[NH2+]CC2CC(C)(C)C2)CN1C(=O)CN1CCCC1 ZINC000980798661 635156616 /nfs/dbraw/zinc/15/66/16/635156616.db2.gz CSNRQVVHHOMFRK-HZPDHXFCSA-N 1 3 321.509 2.345 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCC1CC[NH+](CC2CCC2)CC1 ZINC001001469196 635502954 /nfs/dbraw/zinc/50/29/54/635502954.db2.gz UDLDHIIKWVDFCI-GOSISDBHSA-N 1 3 321.509 2.489 20 0 DEADHO CCCCN1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000981681813 635591808 /nfs/dbraw/zinc/59/18/08/635591808.db2.gz IKQIOPYBVVTAGU-KRWDZBQOSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)C[N@@H+]1CCCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000981810605 635666697 /nfs/dbraw/zinc/66/66/97/635666697.db2.gz VILGBIMQRJKENY-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)C[N@H+]1CCCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000981810605 635666701 /nfs/dbraw/zinc/66/67/01/635666701.db2.gz VILGBIMQRJKENY-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000981810359 635666867 /nfs/dbraw/zinc/66/68/67/635666867.db2.gz POEYBOGWUDDMDS-INIZCTEOSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C)C[N@H+]1CCCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000981810359 635666869 /nfs/dbraw/zinc/66/68/69/635666869.db2.gz POEYBOGWUDDMDS-INIZCTEOSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C)[C@H](C(=O)N1CC2(C1)CCC[N@H+](CCC1CC1)C2)C1CC1 ZINC000981812509 635666963 /nfs/dbraw/zinc/66/69/63/635666963.db2.gz QHZHXSOWDHUGRR-KRWDZBQOSA-N 1 3 319.493 2.051 20 0 DEADHO CN(C)[C@H](C(=O)N1CC2(C1)CCC[N@@H+](CCC1CC1)C2)C1CC1 ZINC000981812509 635666967 /nfs/dbraw/zinc/66/69/67/635666967.db2.gz QHZHXSOWDHUGRR-KRWDZBQOSA-N 1 3 319.493 2.051 20 0 DEADHO CCCC[N@@H+]1CCCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC000982013332 635810949 /nfs/dbraw/zinc/81/09/49/635810949.db2.gz QPGBBJQEDANIPE-MRXNPFEDSA-N 1 3 307.482 2.053 20 0 DEADHO CCCC[N@H+]1CCCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC000982013332 635810956 /nfs/dbraw/zinc/81/09/56/635810956.db2.gz QPGBBJQEDANIPE-MRXNPFEDSA-N 1 3 307.482 2.053 20 0 DEADHO CCC(CC)C[N@@H+]1CCCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000982036662 635835938 /nfs/dbraw/zinc/83/59/38/635835938.db2.gz LSECZULNRJBMBV-UHFFFAOYSA-N 1 3 318.465 2.313 20 0 DEADHO CCC(CC)C[N@H+]1CCCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000982036662 635835939 /nfs/dbraw/zinc/83/59/39/635835939.db2.gz LSECZULNRJBMBV-UHFFFAOYSA-N 1 3 318.465 2.313 20 0 DEADHO CN(C)[C@H](CC[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C)C(F)(F)F ZINC000925837054 635871915 /nfs/dbraw/zinc/87/19/15/635871915.db2.gz MZDLZWCSBADZEE-NDBYEHHHSA-N 1 3 307.404 2.235 20 0 DEADHO CN(C)[C@H](CCN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C(F)(F)F ZINC000925837054 635871925 /nfs/dbraw/zinc/87/19/25/635871925.db2.gz MZDLZWCSBADZEE-NDBYEHHHSA-N 1 3 307.404 2.235 20 0 DEADHO CN1CC[C@H]([NH2+]C[C@]2(C(F)(F)F)CCCN2)[C@@H]2CCC[C@@H]21 ZINC000925850973 635949272 /nfs/dbraw/zinc/94/92/72/635949272.db2.gz AVHAKZKKEGBUHK-XUXIUFHCSA-N 1 3 305.388 2.133 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@]2(C)C[N@H+](CCC)C[C@]2(C)C1 ZINC000982292422 635950374 /nfs/dbraw/zinc/95/03/74/635950374.db2.gz JZOIXYGTHFEUQI-QRQLOZEOSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@]2(C)C[N@@H+](CCC)C[C@]2(C)C1 ZINC000982292422 635950376 /nfs/dbraw/zinc/95/03/76/635950376.db2.gz JZOIXYGTHFEUQI-QRQLOZEOSA-N 1 3 321.509 2.441 20 0 DEADHO C[NH+]1CCC2(CCCN2[C@@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000893854557 636048029 /nfs/dbraw/zinc/04/80/29/636048029.db2.gz BLDKDUUQPPRZMB-HUUCEWRRSA-N 1 3 312.429 2.180 20 0 DEADHO CCc1ccc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)o1 ZINC000922388601 636142135 /nfs/dbraw/zinc/14/21/35/636142135.db2.gz RKBHPYXCWXVVMV-TVFCKZIOSA-N 1 3 306.450 2.411 20 0 DEADHO CCc1ccc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)o1 ZINC000922388601 636142137 /nfs/dbraw/zinc/14/21/37/636142137.db2.gz RKBHPYXCWXVVMV-TVFCKZIOSA-N 1 3 306.450 2.411 20 0 DEADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cccnc3)C2)[C@H]1C(C)C ZINC000922392612 636154700 /nfs/dbraw/zinc/15/47/00/636154700.db2.gz MQEIRSFFIKNFAP-TVFCKZIOSA-N 1 3 303.450 2.041 20 0 DEADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cccnc3)C2)[C@H]1C(C)C ZINC000922392612 636154701 /nfs/dbraw/zinc/15/47/01/636154701.db2.gz MQEIRSFFIKNFAP-TVFCKZIOSA-N 1 3 303.450 2.041 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C)c1ccco1 ZINC000922424135 636166344 /nfs/dbraw/zinc/16/63/44/636166344.db2.gz LKJVGCHQKSHRDR-BYNSBNAKSA-N 1 3 322.453 2.101 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C)c1ccco1 ZINC000922424135 636166346 /nfs/dbraw/zinc/16/63/46/636166346.db2.gz LKJVGCHQKSHRDR-BYNSBNAKSA-N 1 3 322.453 2.101 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001028537852 636329177 /nfs/dbraw/zinc/32/91/77/636329177.db2.gz TXUJTELJIQDDAD-SJORKVTESA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001028537852 636329179 /nfs/dbraw/zinc/32/91/79/636329179.db2.gz TXUJTELJIQDDAD-SJORKVTESA-N 1 3 307.482 2.264 20 0 DEADHO CCO[C@H](C[NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1)CN(C)C ZINC000922757026 636379406 /nfs/dbraw/zinc/37/94/06/636379406.db2.gz AHXCGKLUEKVNJH-YTQUADARSA-N 1 3 319.493 2.206 20 0 DEADHO CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001004540574 636481790 /nfs/dbraw/zinc/48/17/90/636481790.db2.gz SWHZADXFLBAGIF-DLBZAZTESA-N 1 3 309.498 2.296 20 0 DEADHO CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001004540574 636481797 /nfs/dbraw/zinc/48/17/97/636481797.db2.gz SWHZADXFLBAGIF-DLBZAZTESA-N 1 3 309.498 2.296 20 0 DEADHO CN1CCN(CC[NH2+]CCc2ccc(F)c(F)c2)CC1(C)C ZINC000894252927 636571686 /nfs/dbraw/zinc/57/16/86/636571686.db2.gz CSXQRXATTLUQCG-UHFFFAOYSA-N 1 3 311.420 2.123 20 0 DEADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(OC)ccn2)CC1 ZINC000924951436 636643341 /nfs/dbraw/zinc/64/33/41/636643341.db2.gz MATNRDZAXQCKLV-HOTGVXAUSA-N 1 3 320.481 2.014 20 0 DEADHO CCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001028844966 636783602 /nfs/dbraw/zinc/78/36/02/636783602.db2.gz FCMCOKMSIJDJOO-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001028844966 636783607 /nfs/dbraw/zinc/78/36/07/636783607.db2.gz FCMCOKMSIJDJOO-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000237141460 636957224 /nfs/dbraw/zinc/95/72/24/636957224.db2.gz KBKIVTBSRJCSGR-KRWDZBQOSA-N 1 3 301.434 2.106 20 0 DEADHO C[C@H](F)CC[NH+]1CCC(N(C)C(=O)CN2CCC[C@H]2C)CC1 ZINC001005998825 637063611 /nfs/dbraw/zinc/06/36/11/637063611.db2.gz WDFZZNUWUQXCIO-LSDHHAIUSA-N 1 3 313.461 2.142 20 0 DEADHO c1ccc([C@H]2CSCCN2C[C@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923300182 637093445 /nfs/dbraw/zinc/09/34/45/637093445.db2.gz DABDXWSLYWSKKV-HZPDHXFCSA-N 1 3 304.459 2.155 20 0 DEADHO CN(C[C@H](O)CO[C@@H]1CCCc2ccccc21)CC(C)(C)C[NH3+] ZINC000923295192 637097138 /nfs/dbraw/zinc/09/71/38/637097138.db2.gz WHCFDLYCPYRWOR-FUHWJXTLSA-N 1 3 320.477 2.358 20 0 DEADHO Cc1ccc(Cl)c(OC[C@H](O)CN[C@](C)(C[NH3+])C(C)C)c1 ZINC000923300620 637099983 /nfs/dbraw/zinc/09/99/83/637099983.db2.gz XSJMTOJDOCMOGQ-CZUORRHYSA-N 1 3 314.857 2.351 20 0 DEADHO Cc1ccc(Cl)c(OC[C@H](O)CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000923330965 637113007 /nfs/dbraw/zinc/11/30/07/637113007.db2.gz DVUPOOCUEAGWIC-FQLMCAECSA-N 1 3 324.852 2.057 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000923330493 637113111 /nfs/dbraw/zinc/11/31/11/637113111.db2.gz GILJUMPVANYISA-USXIJHARSA-N 1 3 314.429 2.249 20 0 DEADHO CCOc1ccc(OC[C@H](O)CN2CCCC[C@@H]2CC[NH3+])cc1 ZINC000923353195 637133760 /nfs/dbraw/zinc/13/37/60/637133760.db2.gz IBPMNDVCZLDANN-HZPDHXFCSA-N 1 3 322.449 2.028 20 0 DEADHO Cc1ccccc1OC[C@@H](O)CN[C@H](C[NH3+])C1CCCCC1 ZINC000923371596 637141990 /nfs/dbraw/zinc/14/19/90/637141990.db2.gz BXVIKOHJMDNPKX-DLBZAZTESA-N 1 3 306.450 2.232 20 0 DEADHO Fc1cccc(F)c1[C@H]1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923427235 637172156 /nfs/dbraw/zinc/17/21/56/637172156.db2.gz IPILUQNOGBEIDO-QWHCGFSZSA-N 1 3 308.372 2.133 20 0 DEADHO Fc1cccc(CCN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)c1 ZINC000923432035 637176863 /nfs/dbraw/zinc/17/68/63/637176863.db2.gz VJIMWWJAKICUIY-KDURUIRLSA-N 1 3 317.452 2.269 20 0 DEADHO Fc1cccc(CCN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)c1 ZINC000923432035 637176866 /nfs/dbraw/zinc/17/68/66/637176866.db2.gz VJIMWWJAKICUIY-KDURUIRLSA-N 1 3 317.452 2.269 20 0 DEADHO COc1ccc(CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1F ZINC000923455015 637186716 /nfs/dbraw/zinc/18/67/16/637186716.db2.gz KHTDATSOERUDBR-CQSZACIVSA-N 1 3 308.397 2.164 20 0 DEADHO Cc1cc(C)c(N2CC[C@H](N3CC[C@@H](CC[NH3+])C3)C2=O)c(C)c1 ZINC000923480502 637202185 /nfs/dbraw/zinc/20/21/85/637202185.db2.gz HUGQDDIVLRLAJZ-SJORKVTESA-N 1 3 315.461 2.388 20 0 DEADHO Cc1cc(F)ccc1N1CCC[C@H](N2CC[C@H](CC[NH3+])C2)C1=O ZINC000923482120 637203634 /nfs/dbraw/zinc/20/36/34/637203634.db2.gz OXSDQPCPVGHVLH-YOEHRIQHSA-N 1 3 319.424 2.300 20 0 DEADHO C[C@@H]1CN([C@@H]2CCCN(c3cccc(F)c3)C2=O)CC[C@@H]1C[NH3+] ZINC000923495408 637206511 /nfs/dbraw/zinc/20/65/11/637206511.db2.gz CADXQOZGRZMUBO-CKEIUWERSA-N 1 3 319.424 2.238 20 0 DEADHO CN(C(=O)CN1CC[C@@H](CC[NH3+])C1)[C@@H]1CCCc2ccccc21 ZINC000923490930 637209941 /nfs/dbraw/zinc/20/99/41/637209941.db2.gz YNZGFNGBTRNHQC-CRAIPNDOSA-N 1 3 315.461 2.193 20 0 DEADHO C[C@H](c1ccccc1)N(C)C(=O)CN1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923502116 637211320 /nfs/dbraw/zinc/21/13/20/637211320.db2.gz YLJSNKHMSJERPF-BFYDXBDKSA-N 1 3 303.450 2.123 20 0 DEADHO C[C@H]1CCCCN1C(=O)CN1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923502775 637213060 /nfs/dbraw/zinc/21/30/60/637213060.db2.gz AFRKCGLMGQNHAA-DLBZAZTESA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H](C(=O)N1CCCc2ccccc21)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923502182 637213179 /nfs/dbraw/zinc/21/31/79/637213179.db2.gz ADNNVJHYLHOZGR-INMHGKMJSA-N 1 3 315.461 2.271 20 0 DEADHO C[C@H](CNC(=O)[C@H](C)N1CC[C@H](C[NH3+])[C@H](C)C1)c1ccccc1 ZINC000923498275 637215123 /nfs/dbraw/zinc/21/51/23/637215123.db2.gz HCJTYZBSTSQDHR-XLMAVXFVSA-N 1 3 317.477 2.212 20 0 DEADHO CCc1ccc(NC(=O)[C@H](C)N2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923508631 637222599 /nfs/dbraw/zinc/22/25/99/637222599.db2.gz OBIIMBNXHLKYHA-OFQRWUPVSA-N 1 3 303.450 2.493 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]CC[C@@H](C)N(C)C)C1 ZINC000895294386 637894302 /nfs/dbraw/zinc/89/43/02/637894302.db2.gz PNUCZRUGHHDGLN-UPJWGTAASA-N 1 3 306.397 2.283 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1)N(C)C ZINC001029459319 638251251 /nfs/dbraw/zinc/25/12/51/638251251.db2.gz UCRVZYJXVHLMDJ-IXDOHACOSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1)N(C)C ZINC001029459319 638251256 /nfs/dbraw/zinc/25/12/56/638251256.db2.gz UCRVZYJXVHLMDJ-IXDOHACOSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)[NH+]1CCC(CCNC(=O)N(C)[C@H]2CCCN(C)C2)CC1 ZINC000896122079 638373224 /nfs/dbraw/zinc/37/32/24/638373224.db2.gz OCVWAHVZUBIJBT-KRWDZBQOSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CC3=CCCCC3)C2)C1 ZINC000984803252 638693043 /nfs/dbraw/zinc/69/30/43/638693043.db2.gz HFODRDCZLWEPSH-KBAYOESNSA-N 1 3 319.493 2.313 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC000985073102 639044028 /nfs/dbraw/zinc/04/40/28/639044028.db2.gz FRYMHYGWKCYLBC-CTYIDZIISA-N 1 3 318.465 2.181 20 0 DEADHO C[C@@H]1[C@@H]([NH2+]CC2CCCC2)CCN1C(=O)CN(C)C1CCC1 ZINC000986356437 639885366 /nfs/dbraw/zinc/88/53/66/639885366.db2.gz OZSPYAJUFWONAC-PBHICJAKSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC000987569095 640225039 /nfs/dbraw/zinc/22/50/39/640225039.db2.gz VLXSBQDKJGUNFF-WMLDXEAASA-N 1 3 303.450 2.349 20 0 DEADHO COc1ccc(C[C@H](C)CN(C)C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000761739641 640342063 /nfs/dbraw/zinc/34/20/63/640342063.db2.gz DLRYKPFKTOPTSA-WMZOPIPTSA-N 1 3 320.477 2.262 20 0 DEADHO CCCN(CC[NH+](CC)CC)C(=S)NC1CCN(C)CC1 ZINC000763362291 640534734 /nfs/dbraw/zinc/53/47/34/640534734.db2.gz NUTAJEMZXJZYTG-UHFFFAOYSA-N 1 3 314.543 2.009 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCN2CCOC2=O)CC1 ZINC000763435051 640542849 /nfs/dbraw/zinc/54/28/49/640542849.db2.gz WZIZDQAOKDPEEV-MRXNPFEDSA-N 1 3 323.481 2.415 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCN2CCOC2=O)CC1 ZINC000763435051 640542853 /nfs/dbraw/zinc/54/28/53/640542853.db2.gz WZIZDQAOKDPEEV-MRXNPFEDSA-N 1 3 323.481 2.415 20 0 DEADHO NCC(=O)N1CCC[C@H](C[NH+]2CCC(C3CCCCC3)CC2)C1 ZINC000841007493 640581606 /nfs/dbraw/zinc/58/16/06/640581606.db2.gz OYDPLWFUAHXCQH-MRXNPFEDSA-N 1 3 321.509 2.476 20 0 DEADHO CCCCCCN(C)CC(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000765270948 640758975 /nfs/dbraw/zinc/75/89/75/640758975.db2.gz RCVBBYUYOCRIAM-LSDHHAIUSA-N 1 3 315.527 2.003 20 0 DEADHO O[C@@H](CN1CCC[C@H](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000730062352 641333780 /nfs/dbraw/zinc/33/37/80/641333780.db2.gz LRTRYSQOHXGIDF-RTBURBONSA-N 1 3 302.462 2.398 20 0 DEADHO CN(C)c1ccc(N2CCC(N[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000841043943 641452038 /nfs/dbraw/zinc/45/20/38/641452038.db2.gz ZTTABPNFPJQRAZ-INIZCTEOSA-N 1 3 302.466 2.063 20 0 DEADHO COc1ccc([C@H](NC(C)C)C(=O)NCC[C@@H](C)[NH+](C)C)cc1 ZINC000898668796 641747931 /nfs/dbraw/zinc/74/79/31/641747931.db2.gz KKDMCNYOBMYINM-PBHICJAKSA-N 1 3 321.465 2.191 20 0 DEADHO C[NH2+][C@@H](C)Cc1noc(-c2ccc(CN3CCCCC3)o2)n1 ZINC000900008728 642235764 /nfs/dbraw/zinc/23/57/64/642235764.db2.gz ACHOSAIGVJXHDO-LBPRGKRZSA-N 1 3 304.394 2.466 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900430154 642368461 /nfs/dbraw/zinc/36/84/61/642368461.db2.gz SABCMSHEOUYOGA-HZPDHXFCSA-N 1 3 307.482 2.336 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900430154 642368463 /nfs/dbraw/zinc/36/84/63/642368463.db2.gz SABCMSHEOUYOGA-HZPDHXFCSA-N 1 3 307.482 2.336 20 0 DEADHO C[C@@H](NC(=O)NCCCCCCC[NH+](C)C)C1=CCN(C)CC1 ZINC000781374220 642744327 /nfs/dbraw/zinc/74/43/27/642744327.db2.gz YPAXGHIXXYTJNH-MRXNPFEDSA-N 1 3 324.513 2.448 20 0 DEADHO Cc1cccc(C(=O)NCCN[C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902316095 642998690 /nfs/dbraw/zinc/99/86/90/642998690.db2.gz DRDCFQSPQXTAEQ-INIZCTEOSA-N 1 3 303.450 2.093 20 0 DEADHO Cc1cccc(OC[C@H](O)CN[C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902348914 643004284 /nfs/dbraw/zinc/00/42/84/643004284.db2.gz NZDRZJGBKAEHFY-HZPDHXFCSA-N 1 3 306.450 2.103 20 0 DEADHO C[C@H](C[C@@H]1COCC[NH2+]1)N[C@H](C)c1cnn(CC2CCC2)c1 ZINC000902502392 643053664 /nfs/dbraw/zinc/05/36/64/643053664.db2.gz FAZAQEUJGFGVST-CKEIUWERSA-N 1 3 306.454 2.101 20 0 DEADHO C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cnccc1N ZINC000902504026 643054651 /nfs/dbraw/zinc/05/46/51/643054651.db2.gz VLODBUDVDSLRAN-BOFPYLFWSA-N 1 3 324.428 2.401 20 0 DEADHO c1ccc(CN2CCC(NC[C@H]3CCCCC[NH2+]3)CC2)nc1 ZINC000902484974 643057343 /nfs/dbraw/zinc/05/73/43/643057343.db2.gz XRFMTZSZCGMNHK-QGZVFWFLSA-N 1 3 302.466 2.168 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C[C@@H](C)O1 ZINC000902872186 643166790 /nfs/dbraw/zinc/16/67/90/643166790.db2.gz XMSIBCIDQXYXOP-XZEHMKQSSA-N 1 3 322.493 2.279 20 0 DEADHO C[C@@H]1C[C@H](N[C@@H](CC[NH+](C)C)c2cccnc2)CN1C1CC1 ZINC000903384053 643336554 /nfs/dbraw/zinc/33/65/54/643336554.db2.gz PKYWFXMZTAIVJI-HFTRVMKXSA-N 1 3 302.466 2.289 20 0 DEADHO NCc1cn([C@@H]2CCC[N@H+](Cc3ccc4cc[nH]c4c3)C2)nn1 ZINC000903458808 643351658 /nfs/dbraw/zinc/35/16/58/643351658.db2.gz KFIUOPQLJAXTGC-MRXNPFEDSA-N 1 3 310.405 2.055 20 0 DEADHO NCc1cn([C@@H]2CCC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)nn1 ZINC000903458808 643351662 /nfs/dbraw/zinc/35/16/62/643351662.db2.gz KFIUOPQLJAXTGC-MRXNPFEDSA-N 1 3 310.405 2.055 20 0 DEADHO C[C@H]1C[C@H]1c1noc(CC2CCN(C[C@@H]3C[NH2+]C[C@H]3C)CC2)n1 ZINC000903460783 643353073 /nfs/dbraw/zinc/35/30/73/643353073.db2.gz HZZXVTKNOGZLTD-LQKXBSAESA-N 1 3 318.465 2.303 20 0 DEADHO CCCCCCN(CCN1CCOCC1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903442074 643354023 /nfs/dbraw/zinc/35/40/23/643354023.db2.gz IMGPZDJYVHEYPP-MSOLQXFVSA-N 1 3 311.514 2.056 20 0 DEADHO Cc1ccc(S(=O)(=O)CCCN2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000903499657 643365866 /nfs/dbraw/zinc/36/58/66/643365866.db2.gz LJSIKIHGTCVTQS-HZPDHXFCSA-N 1 3 324.490 2.076 20 0 DEADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@@H](C)c1ccc(F)cc1F)C2 ZINC000903493791 643370513 /nfs/dbraw/zinc/37/05/13/643370513.db2.gz WUNAKLAXFVPCLC-ORMQQPANSA-N 1 3 324.371 2.238 20 0 DEADHO C[C@@H]1CN([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)C[C@H]1CC[NH3+] ZINC000903495925 643371776 /nfs/dbraw/zinc/37/17/76/643371776.db2.gz CGOVTNJIZOPTAN-SUYBPPKGSA-N 1 3 319.424 2.062 20 0 DEADHO Cc1cccc(OCCN(C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903717507 643437828 /nfs/dbraw/zinc/43/78/28/643437828.db2.gz BBZPQDVFUMVLJS-SFHVURJKSA-N 1 3 318.461 2.464 20 0 DEADHO Cc1ccccc1OCCN(C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903719097 643438280 /nfs/dbraw/zinc/43/82/80/643438280.db2.gz VGHHXOUPLQGNSH-SJLPKXTDSA-N 1 3 304.434 2.074 20 0 DEADHO Cc1cccc(OCCN(C)C[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903717505 643438352 /nfs/dbraw/zinc/43/83/52/643438352.db2.gz BBZPQDVFUMVLJS-GOSISDBHSA-N 1 3 318.461 2.464 20 0 DEADHO CCC[C@H](C)NC(=O)[C@@H]1CCCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903725392 643440138 /nfs/dbraw/zinc/44/01/38/643440138.db2.gz BIWNYJOKVQVJKO-GVDBMIGSSA-N 1 3 309.498 2.393 20 0 DEADHO CC1CCN(C(=O)C2CCN(C[C@H]3CCCC[NH2+]C3)CC2)CC1 ZINC000903723132 643440141 /nfs/dbraw/zinc/44/01/41/643440141.db2.gz UTAQFWJFPFLRQV-KRWDZBQOSA-N 1 3 321.509 2.347 20 0 DEADHO Cc1nn(C)c2nc(Cl)c(CN[C@@H]3CC34CC[NH2+]CC4)cc12 ZINC000841077757 643441141 /nfs/dbraw/zinc/44/11/41/643441141.db2.gz CTASRUQAZMMWJT-CYBMUJFWSA-N 1 3 319.840 2.162 20 0 DEADHO c1ccc([C@H]2CCCN2C[C@H]2CC3(CO2)CC[NH2+]CC3)nc1 ZINC000903737013 643449467 /nfs/dbraw/zinc/44/94/67/643449467.db2.gz OOJHFZLPBHKHMN-NVXWUHKLSA-N 1 3 301.434 2.377 20 0 DEADHO CC[C@@H](NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1c(C)noc1C ZINC000903759351 643451711 /nfs/dbraw/zinc/45/17/11/643451711.db2.gz PIQCNUZDEAANQX-LSDHHAIUSA-N 1 3 307.438 2.491 20 0 DEADHO C(CN1CCOC[C@H]1C[C@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903827867 643474407 /nfs/dbraw/zinc/47/44/07/643474407.db2.gz YZUSNWHHPWUCKQ-PYWTVGQWSA-N 1 3 308.466 2.177 20 0 DEADHO Cc1ccc(NC(=O)CN(C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903872462 643492175 /nfs/dbraw/zinc/49/21/75/643492175.db2.gz DIIWEULCBQVUOX-ZXFUBFMLSA-N 1 3 301.434 2.396 20 0 DEADHO COc1ccc(C[NH2+]C[C@H]2CNCCC2(F)F)cc1OC ZINC000903955818 643528679 /nfs/dbraw/zinc/52/86/79/643528679.db2.gz ZNOHPYKDWCEZFS-GFCCVEGCSA-N 1 3 300.349 2.038 20 0 DEADHO C[C@]12CN(Cc3cnnn3[C@H]3CCC[NH2+]C3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000904461394 643670124 /nfs/dbraw/zinc/67/01/24/643670124.db2.gz AGNPZSXXIOGXRU-UXDQUXDASA-N 1 3 315.465 2.071 20 0 DEADHO O[C@H](CC[C@H](O)c1ccccc1)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000905051978 643771891 /nfs/dbraw/zinc/77/18/91/643771891.db2.gz YEBVISKMAKVPQL-MANSERQUSA-N 1 3 318.461 2.078 20 0 DEADHO O[C@H](CC[C@H](O)c1ccccc1)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000905051978 643771893 /nfs/dbraw/zinc/77/18/93/643771893.db2.gz YEBVISKMAKVPQL-MANSERQUSA-N 1 3 318.461 2.078 20 0 DEADHO C[C@@H](C[NH2+]C[C@@H](O)CC1(CO)CCCC1)CN1CCCCC1 ZINC000905054963 643775992 /nfs/dbraw/zinc/77/59/92/643775992.db2.gz MBUYLETWNCXJHW-IRXDYDNUSA-N 1 3 312.498 2.002 20 0 DEADHO C[C@@H](CNC[C@@H](O)CC1(CO)CCCC1)C[NH+]1CCCCC1 ZINC000905054963 643775993 /nfs/dbraw/zinc/77/59/93/643775993.db2.gz MBUYLETWNCXJHW-IRXDYDNUSA-N 1 3 312.498 2.002 20 0 DEADHO CC(C)(C)[NH+]1CCC(NC[C@@H](O)CC2(CO)CCCC2)CC1 ZINC000905056126 643781968 /nfs/dbraw/zinc/78/19/68/643781968.db2.gz WALZXTJTJWABLJ-INIZCTEOSA-N 1 3 312.498 2.143 20 0 DEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000905152952 643800607 /nfs/dbraw/zinc/80/06/07/643800607.db2.gz DSVBBKLDHQPQEY-HBNTYKKESA-N 1 3 318.330 2.397 20 0 DEADHO O[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)CC1(O)CCCC1 ZINC000905152904 643800725 /nfs/dbraw/zinc/80/07/25/643800725.db2.gz DENCJDPTORIWLX-QGZVFWFLSA-N 1 3 310.482 2.039 20 0 DEADHO CN1CCN(C2CC[NH+]([C@H]3C[C@@H]3c3cccc(F)c3)CC2)CC1 ZINC000906594275 644297602 /nfs/dbraw/zinc/29/76/02/644297602.db2.gz CTYVGDGIQFIDKN-MOPGFXCFSA-N 1 3 317.452 2.393 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]21 ZINC000907039873 644426923 /nfs/dbraw/zinc/42/69/23/644426923.db2.gz ZQKPJPCQLKJCKY-CVEARBPZSA-N 1 3 307.482 2.194 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]21 ZINC000907039873 644426925 /nfs/dbraw/zinc/42/69/25/644426925.db2.gz ZQKPJPCQLKJCKY-CVEARBPZSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](c3ccccn3)C2)CC1 ZINC000800383889 645263877 /nfs/dbraw/zinc/26/38/77/645263877.db2.gz HIFDNNJDVMIDPQ-GOSISDBHSA-N 1 3 316.493 2.287 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](c3ccccn3)C2)CC1 ZINC000800383889 645263879 /nfs/dbraw/zinc/26/38/79/645263879.db2.gz HIFDNNJDVMIDPQ-GOSISDBHSA-N 1 3 316.493 2.287 20 0 DEADHO CC[NH2+]Cc1cccc(NC(=O)c2cc3n(n2)CCC[C@@H]3N)c1 ZINC000911683657 645781804 /nfs/dbraw/zinc/78/18/04/645781804.db2.gz ZZMMPYVGAUWUJT-AWEZNQCLSA-N 1 3 313.405 2.039 20 0 DEADHO N[C@@H](C(=O)Nc1cccc(OCC[NH3+])c1)C1CCCCCC1 ZINC000911761021 645825690 /nfs/dbraw/zinc/82/56/90/645825690.db2.gz IMMKUJBUSSNJLW-MRXNPFEDSA-N 1 3 305.422 2.260 20 0 DEADHO CCN(C(=O)c1ccc(NC2=NCCC2)cc1)[C@H]1CC[N@H+](C)C1 ZINC000912309031 646021414 /nfs/dbraw/zinc/02/14/14/646021414.db2.gz VRSAWBVFIDBPLB-INIZCTEOSA-N 1 3 314.433 2.457 20 0 DEADHO CCN(C(=O)c1ccc(NC2=NCCC2)cc1)[C@H]1CC[N@@H+](C)C1 ZINC000912309031 646021417 /nfs/dbraw/zinc/02/14/17/646021417.db2.gz VRSAWBVFIDBPLB-INIZCTEOSA-N 1 3 314.433 2.457 20 0 DEADHO C[NH+](C)C1(C)CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000913390730 646335582 /nfs/dbraw/zinc/33/55/82/646335582.db2.gz XPVJFLDVBKKAJB-QGZVFWFLSA-N 1 3 313.461 2.142 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CCN(CCCF)[C@@H]1C)[NH+](CC)CC ZINC001388793510 1155090252 /nfs/dbraw/zinc/09/02/52/1155090252.db2.gz GTXXQAZIPPQLIS-ILXRZTDVSA-N 1 3 301.450 2.045 20 0 DEADHO O[C@]1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCc2ccccc21 ZINC000817917659 647381151 /nfs/dbraw/zinc/38/11/51/647381151.db2.gz RHEWYUCREJJUJG-LULLPPNCSA-N 1 3 300.446 2.331 20 0 DEADHO O[C@@H](C[NH2+]C1CCN(CC2CC2)CC1)c1cc(F)ccc1F ZINC000818966048 647551526 /nfs/dbraw/zinc/55/15/26/647551526.db2.gz HRZMPGUKSHRANR-KRWDZBQOSA-N 1 3 310.388 2.462 20 0 DEADHO CC(C)=CCN1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993757419 647740315 /nfs/dbraw/zinc/74/03/15/647740315.db2.gz HDQAFIZFKKBDJQ-RDJZCZTQSA-N 1 3 307.482 2.264 20 0 DEADHO C[C@@H](NCC1CCN(c2cc[nH+]cc2)CC1)c1cc(CO)on1 ZINC000820814490 647923663 /nfs/dbraw/zinc/92/36/63/647923663.db2.gz KCLNVAMHXZLLRQ-CYBMUJFWSA-N 1 3 316.405 2.129 20 0 DEADHO CCC[NH+]1CCC(C[NH2+]Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC000821109151 647991489 /nfs/dbraw/zinc/99/14/89/647991489.db2.gz ADLAFFBKRRNUFR-UHFFFAOYSA-N 1 3 320.466 2.140 20 0 DEADHO CCC[NH+]1CCC(C[NH2+]Cc2cc(-c3nn[n-]n3)cs2)CC1 ZINC000821109151 647991493 /nfs/dbraw/zinc/99/14/93/647991493.db2.gz ADLAFFBKRRNUFR-UHFFFAOYSA-N 1 3 320.466 2.140 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000827078336 648967260 /nfs/dbraw/zinc/96/72/60/648967260.db2.gz MEIZPJVPZOZXQF-SJORKVTESA-N 1 3 307.482 2.382 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000827078336 648967262 /nfs/dbraw/zinc/96/72/62/648967262.db2.gz MEIZPJVPZOZXQF-SJORKVTESA-N 1 3 307.482 2.382 20 0 DEADHO CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC000945090269 649609690 /nfs/dbraw/zinc/60/96/90/649609690.db2.gz KIIOHVQCJHMEFZ-PBHICJAKSA-N 1 3 303.450 2.208 20 0 DEADHO CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC000945090269 649609692 /nfs/dbraw/zinc/60/96/92/649609692.db2.gz KIIOHVQCJHMEFZ-PBHICJAKSA-N 1 3 303.450 2.208 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000831729085 649634732 /nfs/dbraw/zinc/63/47/32/649634732.db2.gz XVRSQHHUEDONSM-IAGOWNOFSA-N 1 3 309.498 2.347 20 0 DEADHO CC[C@@H]1CN(C(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)CC[C@@H]1[NH3+] ZINC000834647394 649825850 /nfs/dbraw/zinc/82/58/50/649825850.db2.gz OEXDIPCHUNREIB-KWCYVHTRSA-N 1 3 324.856 2.019 20 0 DEADHO COC(C)(C)CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849008648 651580700 /nfs/dbraw/zinc/58/07/00/651580700.db2.gz ZGYXNJVHPSRAES-UHFFFAOYSA-N 1 3 318.465 2.190 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccccc1F ZINC000849040528 651592016 /nfs/dbraw/zinc/59/20/16/651592016.db2.gz MEICYODGGCFYSA-DUVNUKRYSA-N 1 3 304.413 2.280 20 0 DEADHO COC(=O)N(C)CCN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000850389766 651918590 /nfs/dbraw/zinc/91/85/90/651918590.db2.gz FTHHNOQPCAXMRP-WBVHZDCISA-N 1 3 319.449 2.327 20 0 DEADHO COC(=O)N(C)CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000850389766 651918595 /nfs/dbraw/zinc/91/85/95/651918595.db2.gz FTHHNOQPCAXMRP-WBVHZDCISA-N 1 3 319.449 2.327 20 0 DEADHO CC(C)C1CCC(N2CCN(C(=O)NCC[C@H](C)[NH3+])CC2)CC1 ZINC000857111940 652053422 /nfs/dbraw/zinc/05/34/22/652053422.db2.gz ACKDPVGEHXVNMM-GTPINHCMSA-N 1 3 324.513 2.266 20 0 DEADHO [NH3+][C@@H]1CN(C(=O)C[C@H]2NCc3ccccc32)C[C@H]1c1ccccc1 ZINC000852829920 652465569 /nfs/dbraw/zinc/46/55/69/652465569.db2.gz PWYGFTSFGHSPMA-IPMKNSEASA-N 1 3 321.424 2.174 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)C=C2CC[NH2+]CC2)N(C)C)cc1 ZINC000852861412 652471470 /nfs/dbraw/zinc/47/14/70/652471470.db2.gz UZTYRVUQMWTWIM-QGZVFWFLSA-N 1 3 301.434 2.024 20 0 DEADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(N2CCCNC2=O)cc1 ZINC000854231018 652662784 /nfs/dbraw/zinc/66/27/84/652662784.db2.gz HBOGONWPHBTXAD-YOEHRIQHSA-N 1 3 316.449 2.084 20 0 DEADHO C[C@@H](CNC(=O)CC[NH2+]C(C)(C)C)N(C)Cc1ccccc1 ZINC000390780587 685443147 /nfs/dbraw/zinc/44/31/47/685443147.db2.gz QQBAFELTLNFBKI-HNNXBMFYSA-N 1 3 305.466 2.401 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCN1C ZINC000928445637 693781772 /nfs/dbraw/zinc/78/17/72/693781772.db2.gz SHBMOTIFJUPLAL-NJAFHUGGSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000928445637 693781774 /nfs/dbraw/zinc/78/17/74/693781774.db2.gz SHBMOTIFJUPLAL-NJAFHUGGSA-N 1 3 315.461 2.107 20 0 DEADHO CC[C@@H](CNC(=O)CCCCC[NH3+])N1CCc2ccccc2C1 ZINC000155448361 684272829 /nfs/dbraw/zinc/27/28/29/684272829.db2.gz KLXMNZSDFIXCGU-SFHVURJKSA-N 1 3 317.477 2.459 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@]3(CC[N@H+](CC4CC4)C3)C2)C1 ZINC001054197934 693879251 /nfs/dbraw/zinc/87/92/51/693879251.db2.gz LYEJTLDVIODRKG-LPHOPBHVSA-N 1 3 319.493 2.053 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@]3(CC[N@@H+](CC4CC4)C3)C2)C1 ZINC001054197934 693879256 /nfs/dbraw/zinc/87/92/56/693879256.db2.gz LYEJTLDVIODRKG-LPHOPBHVSA-N 1 3 319.493 2.053 20 0 DEADHO CC(C)N1Cc2ccc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)cc2C1 ZINC001054266035 693908086 /nfs/dbraw/zinc/90/80/86/693908086.db2.gz JIHMPTOQOHCPPK-RDTXWAMCSA-N 1 3 315.461 2.367 20 0 DEADHO CC(C)N1Cc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)cc2C1 ZINC001054266035 693908089 /nfs/dbraw/zinc/90/80/89/693908089.db2.gz JIHMPTOQOHCPPK-RDTXWAMCSA-N 1 3 315.461 2.367 20 0 DEADHO CCCN1Cc2ccc(CNC(=O)C34CC[NH+](CC3)C4)cc2C1 ZINC001054290745 693916403 /nfs/dbraw/zinc/91/64/03/693916403.db2.gz XGKSBLRDGWKMBK-UHFFFAOYSA-N 1 3 313.445 2.124 20 0 DEADHO CC[NH+]1CCC(NCCN(C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000223102173 685107341 /nfs/dbraw/zinc/10/73/41/685107341.db2.gz CFAJENMWZCSOFW-UHFFFAOYSA-N 1 3 311.470 2.460 20 0 DEADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000245729888 685117161 /nfs/dbraw/zinc/11/71/61/685117161.db2.gz VXJQUFNIEDOPST-HUUCEWRRSA-N 1 3 311.470 2.317 20 0 DEADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000245729888 685117162 /nfs/dbraw/zinc/11/71/62/685117162.db2.gz VXJQUFNIEDOPST-HUUCEWRRSA-N 1 3 311.470 2.317 20 0 DEADHO Cc1ccccc1COC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000859217388 685683794 /nfs/dbraw/zinc/68/37/94/685683794.db2.gz KSTOAJNISGZBSW-INIZCTEOSA-N 1 3 321.465 2.493 20 0 DEADHO Cc1ccccc1COC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000859217388 685683799 /nfs/dbraw/zinc/68/37/99/685683799.db2.gz KSTOAJNISGZBSW-INIZCTEOSA-N 1 3 321.465 2.493 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CCC23CC[NH+](C)CC3)c1 ZINC000929563218 693980470 /nfs/dbraw/zinc/98/04/70/693980470.db2.gz LZMFLRAUFGBPLL-UHFFFAOYSA-N 1 3 316.449 2.450 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CC1CCCC1 ZINC001054738194 694036358 /nfs/dbraw/zinc/03/63/58/694036358.db2.gz ODDVXMCLRLGVQG-YOEHRIQHSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]Cc1ccccc1 ZINC001054740215 694036376 /nfs/dbraw/zinc/03/63/76/694036376.db2.gz VKJMSGWZCGJSNC-QAPCUYQASA-N 1 3 315.461 2.107 20 0 DEADHO CC[C@H](CNC(=[NH2+])Nc1ccc(CCO)cc1)N1CCCC1 ZINC000864454029 686725235 /nfs/dbraw/zinc/72/52/35/686725235.db2.gz RSXQAHZRHVYQAE-MRXNPFEDSA-N 1 3 304.438 2.032 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2C3CCC2(C[NH3+])CC3)c1 ZINC000864615816 686779422 /nfs/dbraw/zinc/77/94/22/686779422.db2.gz JEHGKXPRWFXQMR-UHFFFAOYSA-N 1 3 302.422 2.236 20 0 DEADHO CC(=O)NCC1CCC([NH2+]C[C@@H](C)CN2CCCCC2)CC1 ZINC000865419696 687205267 /nfs/dbraw/zinc/20/52/67/687205267.db2.gz XSKMVDCQASHETE-FAEJEUNOSA-N 1 3 309.498 2.393 20 0 DEADHO CCOc1cc(F)cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000865551480 687256605 /nfs/dbraw/zinc/25/66/05/687256605.db2.gz BABYDCDHNSMEAE-UHFFFAOYSA-N 1 3 323.456 2.340 20 0 DEADHO CC(=O)NCC1CCC([NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC000865635187 687285981 /nfs/dbraw/zinc/28/59/81/687285981.db2.gz AKIIEWWOLYOTMJ-CUYAVPTFSA-N 1 3 321.509 2.393 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(C)C)C1 ZINC001015976312 687488095 /nfs/dbraw/zinc/48/80/95/687488095.db2.gz LWVXENJMVRNMAA-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001015976312 687488096 /nfs/dbraw/zinc/48/80/96/687488096.db2.gz LWVXENJMVRNMAA-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001016611578 687665129 /nfs/dbraw/zinc/66/51/29/687665129.db2.gz DSRGOHZLHVQQAP-HOTGVXAUSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001016830088 687711698 /nfs/dbraw/zinc/71/16/98/687711698.db2.gz PNMPMWPOOFPWAY-NVXWUHKLSA-N 1 3 319.493 2.242 20 0 DEADHO CC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001017128719 687797485 /nfs/dbraw/zinc/79/74/85/687797485.db2.gz URKQRTGLANIOPD-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO CC[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001017128719 687797488 /nfs/dbraw/zinc/79/74/88/687797488.db2.gz URKQRTGLANIOPD-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC2CCC2)C1)C1CC1 ZINC001017143274 687802481 /nfs/dbraw/zinc/80/24/81/687802481.db2.gz VCYOYVZQQVDSEF-WMZOPIPTSA-N 1 3 321.509 2.297 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCC2)C1)C1CC1 ZINC001017143274 687802484 /nfs/dbraw/zinc/80/24/84/687802484.db2.gz VCYOYVZQQVDSEF-WMZOPIPTSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001017704529 687942663 /nfs/dbraw/zinc/94/26/63/687942663.db2.gz XTKLUQFVFWFRQI-YESZJQIVSA-N 1 3 319.493 2.336 20 0 DEADHO CN1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC000868363061 687991369 /nfs/dbraw/zinc/99/13/69/687991369.db2.gz ITCQWTHEYYSOPT-WBVHZDCISA-N 1 3 322.497 2.177 20 0 DEADHO CN1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC000868363061 687991372 /nfs/dbraw/zinc/99/13/72/687991372.db2.gz ITCQWTHEYYSOPT-WBVHZDCISA-N 1 3 322.497 2.177 20 0 DEADHO C[NH+](C)C1(C)CCC(NC(=O)NC[C@@H]2CCN2C(C)(C)C)CC1 ZINC000868758408 688129152 /nfs/dbraw/zinc/12/91/52/688129152.db2.gz TUJKOGAZFHHSRK-CSLYMUCUSA-N 1 3 324.513 2.421 20 0 DEADHO CCc1cccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC001018626894 688187827 /nfs/dbraw/zinc/18/78/27/688187827.db2.gz BVTSRFHHNWXVMJ-ZWKOTPCHSA-N 1 3 315.461 2.034 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]CC3CC4(CCC4)C3)C2)CCC1 ZINC001018963667 688262808 /nfs/dbraw/zinc/26/28/08/688262808.db2.gz UYAQAMPSAVRANY-INIZCTEOSA-N 1 3 319.493 2.242 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)C1)N(C)C ZINC001019000646 688267722 /nfs/dbraw/zinc/26/77/22/688267722.db2.gz GWJYUDWKIRGXDQ-IRXDYDNUSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)C1)N(C)C ZINC001019342769 688333846 /nfs/dbraw/zinc/33/38/46/688333846.db2.gz GWJYUDWKIRGXDQ-DLBZAZTESA-N 1 3 307.482 2.264 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccccc2C)C1)N(C)C ZINC001019394194 688345643 /nfs/dbraw/zinc/34/56/43/688345643.db2.gz AZSDGCAQTYBFKS-IRXDYDNUSA-N 1 3 303.450 2.026 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]([NH2+]CCC2CC2)C1 ZINC001019812555 688413599 /nfs/dbraw/zinc/41/35/99/688413599.db2.gz UWVYAPJQANITMC-KRWDZBQOSA-N 1 3 315.461 2.352 20 0 DEADHO CC1CC(C[N@H+](C)C[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001029756315 688572866 /nfs/dbraw/zinc/57/28/66/688572866.db2.gz TVJBFDHFYKWZRH-AQFXKWCLSA-N 1 3 321.509 2.297 20 0 DEADHO CC1CC(C[N@@H+](C)C[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001029756315 688572867 /nfs/dbraw/zinc/57/28/67/688572867.db2.gz TVJBFDHFYKWZRH-AQFXKWCLSA-N 1 3 321.509 2.297 20 0 DEADHO [NH3+][C@H]1CC[C@@H](C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000870863818 688671152 /nfs/dbraw/zinc/67/11/52/688671152.db2.gz CQKWPYPXLKZLKI-MAEOIBBWSA-N 1 3 315.461 2.069 20 0 DEADHO CN1CCN(CC[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)CC1(C)C ZINC000872068130 688921600 /nfs/dbraw/zinc/92/16/00/688921600.db2.gz DVKIURTZPIKJBC-JKSUJKDBSA-N 1 3 311.514 2.196 20 0 DEADHO CN(CC1CC1)C(=O)CN1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158920 688941129 /nfs/dbraw/zinc/94/11/29/688941129.db2.gz ZGUPYPHKGLXWDW-WMZOPIPTSA-N 1 3 321.509 2.474 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCC1C[NH+](CC(CC)CC)C1 ZINC001031714766 688984488 /nfs/dbraw/zinc/98/44/88/688984488.db2.gz MGPUASHQWZFKGG-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCC1C[NH+](CC2CC(C)(C)C2)C1 ZINC001031714728 688984706 /nfs/dbraw/zinc/98/47/06/688984706.db2.gz LNPVFXKWADIFHX-KRWDZBQOSA-N 1 3 321.509 2.345 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(Cc2ccccc2)C1 ZINC001031715556 688985124 /nfs/dbraw/zinc/98/51/24/688985124.db2.gz VPBMCSZWJMACEL-GOSISDBHSA-N 1 3 315.461 2.109 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CN(Cc2ccccc2)C1 ZINC001031715556 688985128 /nfs/dbraw/zinc/98/51/28/688985128.db2.gz VPBMCSZWJMACEL-GOSISDBHSA-N 1 3 315.461 2.109 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC1C[NH+](CC2CCCC2)C1 ZINC001032026241 689044923 /nfs/dbraw/zinc/04/49/23/689044923.db2.gz BGDCMQUBVXMODW-SFHVURJKSA-N 1 3 321.509 2.488 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC1C[NH+](CCCC2CCC2)C1 ZINC001032205597 689083342 /nfs/dbraw/zinc/08/33/42/689083342.db2.gz CMEYZSZERMSTMI-GOSISDBHSA-N 1 3 321.509 2.489 20 0 DEADHO CC1(C)CC[C@H](CNC2CCN(c3ccccn3)CC2)[NH2+]C1 ZINC000873234354 689190867 /nfs/dbraw/zinc/19/08/67/689190867.db2.gz FNUJEFQZUWHKMW-MRXNPFEDSA-N 1 3 302.466 2.418 20 0 DEADHO CC1(C)CC[C@@H](CNC2CCN(c3ccccn3)CC2)[NH2+]C1 ZINC000873234352 689191019 /nfs/dbraw/zinc/19/10/19/689191019.db2.gz FNUJEFQZUWHKMW-INIZCTEOSA-N 1 3 302.466 2.418 20 0 DEADHO COc1cccc2c1OC[C@@H](N[C@H]1CC[NH2+]CC(C)(C)C1)C2 ZINC000873240765 689191502 /nfs/dbraw/zinc/19/15/02/689191502.db2.gz BWZKXYYDJXBMGB-GJZGRUSLSA-N 1 3 304.434 2.367 20 0 DEADHO C(N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CC2(CO1)CCOCC2 ZINC000873250246 689194376 /nfs/dbraw/zinc/19/43/76/689194376.db2.gz FJTZDMJORZMUHR-LUKYLMHMSA-N 1 3 308.466 2.082 20 0 DEADHO Cc1ccc(CN2CCO[C@H](CN[C@@H]3CCC[C@@H]([NH3+])C3)C2)cc1 ZINC000873266991 689198033 /nfs/dbraw/zinc/19/80/33/689198033.db2.gz VGSAATKATJAFLP-GUDVDZBRSA-N 1 3 317.477 2.055 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC(C)(C)C1 ZINC001032626912 689205219 /nfs/dbraw/zinc/20/52/19/689205219.db2.gz OPQYMEWWVFJOFX-PVAVHDDUSA-N 1 3 319.493 2.192 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CC(C)(C)C1 ZINC001032626912 689205221 /nfs/dbraw/zinc/20/52/21/689205221.db2.gz OPQYMEWWVFJOFX-PVAVHDDUSA-N 1 3 319.493 2.192 20 0 DEADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001032711329 689233469 /nfs/dbraw/zinc/23/34/69/689233469.db2.gz QEJMXQCYGPCILI-ROUUACIJSA-N 1 3 321.509 2.438 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001033125675 689398019 /nfs/dbraw/zinc/39/80/19/689398019.db2.gz HAKSDPMJEOVCJD-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033125675 689398024 /nfs/dbraw/zinc/39/80/24/689398024.db2.gz HAKSDPMJEOVCJD-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000874834518 689509148 /nfs/dbraw/zinc/50/91/48/689509148.db2.gz SJCSZJJMDBXVHM-ZACQAIPSSA-N 1 3 305.466 2.089 20 0 DEADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000874834518 689509151 /nfs/dbraw/zinc/50/91/51/689509151.db2.gz SJCSZJJMDBXVHM-ZACQAIPSSA-N 1 3 305.466 2.089 20 0 DEADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000874840014 689512630 /nfs/dbraw/zinc/51/26/30/689512630.db2.gz ZATRGNLEECJPQA-RYQLBKOJSA-N 1 3 319.493 2.336 20 0 DEADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000874840014 689512633 /nfs/dbraw/zinc/51/26/33/689512633.db2.gz ZATRGNLEECJPQA-RYQLBKOJSA-N 1 3 319.493 2.336 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001033472437 689513782 /nfs/dbraw/zinc/51/37/82/689513782.db2.gz VPBHUKSLBHZFJU-SJORKVTESA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001033472437 689513786 /nfs/dbraw/zinc/51/37/86/689513786.db2.gz VPBHUKSLBHZFJU-SJORKVTESA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]2[C@@H]1CCCN2C)[NH+]1CCCCC1 ZINC000874846547 689516965 /nfs/dbraw/zinc/51/69/65/689516965.db2.gz YINSRONTHBXOCI-YESZJQIVSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)NC[C@H]1CCCN1C ZINC000875151528 689580812 /nfs/dbraw/zinc/58/08/12/689580812.db2.gz IVQAKNOJCCWLPK-QGZVFWFLSA-N 1 3 324.513 2.090 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N(C)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001033684087 689583916 /nfs/dbraw/zinc/58/39/16/689583916.db2.gz CTBXDCDLFKPKKT-QGZVFWFLSA-N 1 3 315.461 2.305 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001033684087 689583919 /nfs/dbraw/zinc/58/39/19/689583919.db2.gz CTBXDCDLFKPKKT-QGZVFWFLSA-N 1 3 315.461 2.305 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CC2)C1 ZINC001034239369 689776964 /nfs/dbraw/zinc/77/69/64/689776964.db2.gz JTBAIOAGZRRQNY-DLBZAZTESA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CC2)C1 ZINC001034239369 689776967 /nfs/dbraw/zinc/77/69/67/689776967.db2.gz JTBAIOAGZRRQNY-DLBZAZTESA-N 1 3 307.482 2.242 20 0 DEADHO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000876709331 689911430 /nfs/dbraw/zinc/91/14/30/689911430.db2.gz PAONYUHVBFOHEB-IXDOHACOSA-N 1 3 315.461 2.313 20 0 DEADHO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000876723444 689915576 /nfs/dbraw/zinc/91/55/76/689915576.db2.gz AKRIPRPOZGPZPK-GVDBMIGSSA-N 1 3 315.461 2.313 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]CC3CCC3)CC2)C1 ZINC001034733264 689936201 /nfs/dbraw/zinc/93/62/01/689936201.db2.gz ABOJDJHVPBUAHE-DJIMGWMZSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)CN(C(=O)CCC12CC(C1)C[NH2+]2)C1CCN(C)CC1 ZINC000876875907 689961242 /nfs/dbraw/zinc/96/12/42/689961242.db2.gz DXFATCMIPHHQDJ-UHFFFAOYSA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001034959871 689999186 /nfs/dbraw/zinc/99/91/86/689999186.db2.gz HDSWBAAYUPHVIS-SJORKVTESA-N 1 3 321.509 2.343 20 0 DEADHO C[C@H](NC1CC[NH+](CC(C)(C)O)CC1)[C@@H](O)c1cccc(F)c1 ZINC000877083120 690014639 /nfs/dbraw/zinc/01/46/39/690014639.db2.gz IEVRMOYNVDDIDY-SUMWQHHRSA-N 1 3 324.440 2.073 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CC2CCCC2)C1 ZINC001035048888 690021007 /nfs/dbraw/zinc/02/10/07/690021007.db2.gz JBIKINSRCXYQGG-NVXWUHKLSA-N 1 3 307.482 2.099 20 0 DEADHO N[C@@H](C(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1)C1CCC1 ZINC000877445609 690115061 /nfs/dbraw/zinc/11/50/61/690115061.db2.gz RBHOHWMOXJSONL-KBRIMQKVSA-N 1 3 307.482 2.260 20 0 DEADHO CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCCN1CC)CC2 ZINC001035857003 690194580 /nfs/dbraw/zinc/19/45/80/690194580.db2.gz IKSBMVCIEOWAFU-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO C[N@@H+]1CC[C@@H]2CN(CCC3CN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000877742981 690211769 /nfs/dbraw/zinc/21/17/69/690211769.db2.gz SNYOQVXRTXQDAJ-CVEARBPZSA-N 1 3 323.481 2.269 20 0 DEADHO C[N@H+]1CC[C@@H]2CN(CCC3CN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000877742981 690211774 /nfs/dbraw/zinc/21/17/74/690211774.db2.gz SNYOQVXRTXQDAJ-CVEARBPZSA-N 1 3 323.481 2.269 20 0 DEADHO CN1CC[C@@H]2C[N@H+](CCC3CN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000877742981 690211778 /nfs/dbraw/zinc/21/17/78/690211778.db2.gz SNYOQVXRTXQDAJ-CVEARBPZSA-N 1 3 323.481 2.269 20 0 DEADHO CN1CC[C@@H]2C[N@@H+](CCC3CN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000877742981 690211780 /nfs/dbraw/zinc/21/17/80/690211780.db2.gz SNYOQVXRTXQDAJ-CVEARBPZSA-N 1 3 323.481 2.269 20 0 DEADHO C[C@H]1C[C@@H](c2ccccc2)CN1CC(=O)NC1CC[NH+](C)CC1 ZINC000878107862 690312961 /nfs/dbraw/zinc/31/29/61/690312961.db2.gz BHMKXGSHTKIJFI-DOTOQJQBSA-N 1 3 315.461 2.075 20 0 DEADHO C[C@H]1[C@@H](c2ccccc2)CCN1CC(=O)NC1CC[NH+](C)CC1 ZINC000878176020 690336464 /nfs/dbraw/zinc/33/64/64/690336464.db2.gz AYTCATJSDUIGCU-YJBOKZPZSA-N 1 3 315.461 2.075 20 0 DEADHO C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)[C@H]1C[NH2+]CC1CC1 ZINC001036556919 690385407 /nfs/dbraw/zinc/38/54/07/690385407.db2.gz UFZDBSYLNVCTPI-PBHICJAKSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)[C@@H]1C[NH2+]CC1CC1 ZINC001036577931 690389787 /nfs/dbraw/zinc/38/97/87/690389787.db2.gz PFPOHHPSPQSCFS-DOTOQJQBSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@H]21 ZINC001036820700 690485702 /nfs/dbraw/zinc/48/57/02/690485702.db2.gz NDJJHHAXQHLNLJ-IAGOWNOFSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@H]21 ZINC001036820700 690485705 /nfs/dbraw/zinc/48/57/05/690485705.db2.gz NDJJHHAXQHLNLJ-IAGOWNOFSA-N 1 3 321.509 2.297 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC2CCCC2)C1 ZINC001036830311 690490916 /nfs/dbraw/zinc/49/09/16/690490916.db2.gz SNSOUSMLTCQXMK-DOTOQJQBSA-N 1 3 316.449 2.065 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2[C@@H](CC[N@H+]2CC2CCCC2)C1 ZINC001036830311 690490920 /nfs/dbraw/zinc/49/09/20/690490920.db2.gz SNSOUSMLTCQXMK-DOTOQJQBSA-N 1 3 316.449 2.065 20 0 DEADHO CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@H]21 ZINC001036902776 690521867 /nfs/dbraw/zinc/52/18/67/690521867.db2.gz PTZHNYVBNKKZKK-FUHWJXTLSA-N 1 3 315.461 2.305 20 0 DEADHO CC[N@H+]1CC[C@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@H]21 ZINC001036902776 690521868 /nfs/dbraw/zinc/52/18/68/690521868.db2.gz PTZHNYVBNKKZKK-FUHWJXTLSA-N 1 3 315.461 2.305 20 0 DEADHO CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1CC ZINC001037853452 690623880 /nfs/dbraw/zinc/62/38/80/690623880.db2.gz IUTXCLHNDKZMAA-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CC1CCC1 ZINC001037858129 690625112 /nfs/dbraw/zinc/62/51/12/690625112.db2.gz FEBLGTSJSXFEBM-SJLPKXTDSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CC1CC1 ZINC001037862256 690626226 /nfs/dbraw/zinc/62/62/26/690626226.db2.gz VBJBVCFOTIWIGL-NVXWUHKLSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN1CCC1CC1 ZINC001038445957 690825308 /nfs/dbraw/zinc/82/53/08/690825308.db2.gz WPPVZSFCZOLHEG-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN1CCC1CC1 ZINC001038445957 690825311 /nfs/dbraw/zinc/82/53/11/690825311.db2.gz WPPVZSFCZOLHEG-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1cc(C)cc(OCCCN2CCC(O)(C[NH+](C)C)CC2)c1 ZINC000931486524 694410016 /nfs/dbraw/zinc/41/00/16/694410016.db2.gz DMBNPFDPYDNPTD-UHFFFAOYSA-N 1 3 320.477 2.461 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CCC1 ZINC001038783434 690925326 /nfs/dbraw/zinc/92/53/26/690925326.db2.gz XPBYBFFCLCWTIR-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CCC1 ZINC001038783434 690925328 /nfs/dbraw/zinc/92/53/28/690925328.db2.gz XPBYBFFCLCWTIR-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC([C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001039127847 691028164 /nfs/dbraw/zinc/02/81/64/691028164.db2.gz UAXKVYNEWDQTDW-QZTJIDSGSA-N 1 3 319.493 2.051 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC([C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001039127847 691028167 /nfs/dbraw/zinc/02/81/67/691028167.db2.gz UAXKVYNEWDQTDW-QZTJIDSGSA-N 1 3 319.493 2.051 20 0 DEADHO CC[C@@H](C(=O)N1CCC([C@H]2CC[N@H+](CC3CC3)C2)CC1)N(C)C ZINC001039159319 691035356 /nfs/dbraw/zinc/03/53/56/691035356.db2.gz KBANQHGFHPMCEQ-ROUUACIJSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@@H](C(=O)N1CCC([C@H]2CC[N@@H+](CC3CC3)C2)CC1)N(C)C ZINC001039159319 691035359 /nfs/dbraw/zinc/03/53/59/691035359.db2.gz KBANQHGFHPMCEQ-ROUUACIJSA-N 1 3 321.509 2.297 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CC[N@H+](CC)C2)CC1 ZINC001039183245 691042655 /nfs/dbraw/zinc/04/26/55/691042655.db2.gz YFLIXQNXGPYAOG-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001039183245 691042659 /nfs/dbraw/zinc/04/26/59/691042659.db2.gz YFLIXQNXGPYAOG-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039240077 691064978 /nfs/dbraw/zinc/06/49/78/691064978.db2.gz WGDAEMKXZPODTC-GOEBONIOSA-N 1 3 304.438 2.064 20 0 DEADHO CC(C)[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039240077 691064979 /nfs/dbraw/zinc/06/49/79/691064979.db2.gz WGDAEMKXZPODTC-GOEBONIOSA-N 1 3 304.438 2.064 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC(C)C)C2)N(C)C ZINC001040399970 691243347 /nfs/dbraw/zinc/24/33/47/691243347.db2.gz QNIZDHZXSDBKQI-WMZOPIPTSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC(C)C)C2)N(C)C ZINC001040399970 691243348 /nfs/dbraw/zinc/24/33/48/691243348.db2.gz QNIZDHZXSDBKQI-WMZOPIPTSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H](F)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040424408 691246433 /nfs/dbraw/zinc/24/64/33/691246433.db2.gz ZOERJABBFFTAIE-WMLDXEAASA-N 1 3 322.428 2.015 20 0 DEADHO C[C@H](F)CC[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040424408 691246436 /nfs/dbraw/zinc/24/64/36/691246436.db2.gz ZOERJABBFFTAIE-WMLDXEAASA-N 1 3 322.428 2.015 20 0 DEADHO CC(C)[NH+]1CCC2(CCN(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001040849434 691292433 /nfs/dbraw/zinc/29/24/33/691292433.db2.gz RIPLKUKZLJLLDA-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO COCc1c(C)cc(C)c(C[NH2+]C[C@H](O)CN2CCCC2)c1C ZINC000882916143 691385804 /nfs/dbraw/zinc/38/58/04/691385804.db2.gz ICZYBOAHCZUJEH-KRWDZBQOSA-N 1 3 320.477 2.305 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@]3(CC[N@H+](CCC4CC4)C3)C2)C1 ZINC001041681236 691409714 /nfs/dbraw/zinc/40/97/14/691409714.db2.gz ZLLNJCWECZUCIS-APWZRJJASA-N 1 3 319.493 2.053 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@]3(CC[N@@H+](CCC4CC4)C3)C2)C1 ZINC001041681236 691409717 /nfs/dbraw/zinc/40/97/17/691409717.db2.gz ZLLNJCWECZUCIS-APWZRJJASA-N 1 3 319.493 2.053 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CC3CCCC3)C2)C1)N(C)C ZINC001041686045 691410268 /nfs/dbraw/zinc/41/02/68/691410268.db2.gz KOTOOHBHKLBOSE-PKOBYXMFSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC3CCCC3)C2)C1)N(C)C ZINC001041686045 691410270 /nfs/dbraw/zinc/41/02/70/691410270.db2.gz KOTOOHBHKLBOSE-PKOBYXMFSA-N 1 3 321.509 2.441 20 0 DEADHO CC[NH+](CC)CC[C@@H](CO)N[C@H]1CCc2cccnc2CC1 ZINC000883159965 691444225 /nfs/dbraw/zinc/44/42/25/691444225.db2.gz AYLGOIHIFDVGDF-IRXDYDNUSA-N 1 3 305.466 2.011 20 0 DEADHO CCC[NH+]1CCC(NC[C@H]2CCC3(CCOCC3)CO2)CC1 ZINC000883261517 691467445 /nfs/dbraw/zinc/46/74/45/691467445.db2.gz FBOVNUZWAFYAKU-QGZVFWFLSA-N 1 3 310.482 2.426 20 0 DEADHO CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@H]21 ZINC001042365109 691583152 /nfs/dbraw/zinc/58/31/52/691583152.db2.gz JICPRGKIIJFRKS-FUHWJXTLSA-N 1 3 315.461 2.305 20 0 DEADHO CC[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@H]21 ZINC001042365109 691583154 /nfs/dbraw/zinc/58/31/54/691583154.db2.gz JICPRGKIIJFRKS-FUHWJXTLSA-N 1 3 315.461 2.305 20 0 DEADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H](N)CC2CC2)c1 ZINC000884200815 691680580 /nfs/dbraw/zinc/68/05/80/691680580.db2.gz KKXJZAWQESJWHK-KRWDZBQOSA-N 1 3 303.450 2.270 20 0 DEADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](N)CC2CC2)c1 ZINC000884200815 691680583 /nfs/dbraw/zinc/68/05/83/691680583.db2.gz KKXJZAWQESJWHK-KRWDZBQOSA-N 1 3 303.450 2.270 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1 ZINC001045200894 691951164 /nfs/dbraw/zinc/95/11/64/691951164.db2.gz UHVKVMGEKCGSQG-AEFFLSMTSA-N 1 3 315.461 2.252 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001045201184 691951576 /nfs/dbraw/zinc/95/15/76/691951576.db2.gz WNJBHCVMGGHOSY-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1)c1ccccc1 ZINC001045312308 691962023 /nfs/dbraw/zinc/96/20/23/691962023.db2.gz ZKFBGQDQWBRTPN-WMZOPIPTSA-N 1 3 315.461 2.424 20 0 DEADHO CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001045967151 692064216 /nfs/dbraw/zinc/06/42/16/692064216.db2.gz NXVMRFFOBCFRKB-HKUYNNGSSA-N 1 3 321.509 2.443 20 0 DEADHO CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001045967151 692064220 /nfs/dbraw/zinc/06/42/20/692064220.db2.gz NXVMRFFOBCFRKB-HKUYNNGSSA-N 1 3 321.509 2.443 20 0 DEADHO CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001045967152 692064919 /nfs/dbraw/zinc/06/49/19/692064919.db2.gz NXVMRFFOBCFRKB-IEBWSBKVSA-N 1 3 321.509 2.443 20 0 DEADHO CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001045967152 692064922 /nfs/dbraw/zinc/06/49/22/692064922.db2.gz NXVMRFFOBCFRKB-IEBWSBKVSA-N 1 3 321.509 2.443 20 0 DEADHO OC[C@@H](CCF)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886633376 692141325 /nfs/dbraw/zinc/14/13/25/692141325.db2.gz UKSOPVNPOYKCEX-MHORFTMASA-N 1 3 306.425 2.350 20 0 DEADHO OC[C@@H](CCF)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886633376 692141328 /nfs/dbraw/zinc/14/13/28/692141328.db2.gz UKSOPVNPOYKCEX-MHORFTMASA-N 1 3 306.425 2.350 20 0 DEADHO OC[C@@H](CCF)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886633376 692141331 /nfs/dbraw/zinc/14/13/31/692141331.db2.gz UKSOPVNPOYKCEX-MHORFTMASA-N 1 3 306.425 2.350 20 0 DEADHO C[N@@H+]1CC[C@H](NC[C@H](O)Cc2ccccc2F)[C@H]2CCC[C@H]21 ZINC000886675130 692157298 /nfs/dbraw/zinc/15/72/98/692157298.db2.gz XNFHVYNDNKYQBC-XYVMCAHJSA-N 1 3 306.425 2.192 20 0 DEADHO C[N@H+]1CC[C@H](NC[C@H](O)Cc2ccccc2F)[C@H]2CCC[C@H]21 ZINC000886675130 692157303 /nfs/dbraw/zinc/15/73/03/692157303.db2.gz XNFHVYNDNKYQBC-XYVMCAHJSA-N 1 3 306.425 2.192 20 0 DEADHO CC(C)N1CCN(CCC[NH2+]CC2(C3(O)CCC3)CCC2)CC1 ZINC000886979439 692248039 /nfs/dbraw/zinc/24/80/39/692248039.db2.gz LRMUSHZCEFITQV-UHFFFAOYSA-N 1 3 323.525 2.077 20 0 DEADHO C[C@@H]([NH2+]CC1=CCCCC1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048059522 692540411 /nfs/dbraw/zinc/54/04/11/692540411.db2.gz SRWLDCNQFLQCKQ-AEFFLSMTSA-N 1 3 319.493 2.409 20 0 DEADHO CC(C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001048256810 692584699 /nfs/dbraw/zinc/58/46/99/692584699.db2.gz QKHZPIHSSKCWCK-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C)C[N@H+]1C[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C1 ZINC001049056138 692753162 /nfs/dbraw/zinc/75/31/62/692753162.db2.gz SFZGGEZLPPFEJL-ZACQAIPSSA-N 1 3 321.509 2.155 20 0 DEADHO CC[C@@H](C)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C1 ZINC001049056138 692753164 /nfs/dbraw/zinc/75/31/64/692753164.db2.gz SFZGGEZLPPFEJL-ZACQAIPSSA-N 1 3 321.509 2.155 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](C(C)C)C[C@@H]2C1 ZINC001049097136 692762899 /nfs/dbraw/zinc/76/28/99/692762899.db2.gz GPROCHBOMZFIIB-IXDOHACOSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C1 ZINC001049097136 692762902 /nfs/dbraw/zinc/76/29/02/692762902.db2.gz GPROCHBOMZFIIB-IXDOHACOSA-N 1 3 307.482 2.048 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC ZINC001049505011 692904604 /nfs/dbraw/zinc/90/46/04/692904604.db2.gz LBUJKKMJYLVBAW-YESZJQIVSA-N 1 3 307.482 2.336 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC ZINC001049505011 692904608 /nfs/dbraw/zinc/90/46/08/692904608.db2.gz LBUJKKMJYLVBAW-YESZJQIVSA-N 1 3 307.482 2.336 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CC1)N(C)C ZINC001049535230 692914889 /nfs/dbraw/zinc/91/48/89/692914889.db2.gz ZGWGWJGRWNFNJJ-BBWFWOEESA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CC1)N(C)C ZINC001049535230 692914893 /nfs/dbraw/zinc/91/48/93/692914893.db2.gz ZGWGWJGRWNFNJJ-BBWFWOEESA-N 1 3 307.482 2.048 20 0 DEADHO CCN1CCN(CCC[NH2+]Cc2c(C)nn(C(C)C)c2C)CC1 ZINC000893326198 692967196 /nfs/dbraw/zinc/96/71/96/692967196.db2.gz DAVXCVUGZWWFSQ-UHFFFAOYSA-N 1 3 321.513 2.198 20 0 DEADHO Cc1noc(C)c1[C@H](C)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000925038499 693216885 /nfs/dbraw/zinc/21/68/85/693216885.db2.gz FJZFYSYQJJZUBA-SWLSCSKDSA-N 1 3 306.454 2.111 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@@H]1NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000925510424 693286514 /nfs/dbraw/zinc/28/65/14/693286514.db2.gz WJHXXMDQIUEDHF-YJBOKZPZSA-N 1 3 315.461 2.269 20 0 DEADHO Cc1ncc2c(n1)CC[C@H]([NH2+][C@H]1CCNC[C@@H]1C1CCCC1)C2 ZINC000925535361 693291444 /nfs/dbraw/zinc/29/14/44/693291444.db2.gz FKCOOQACUWNMNE-SCTDSRPQSA-N 1 3 314.477 2.400 20 0 DEADHO COc1cc(OC)cc(OCCCN[C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925579201 693301852 /nfs/dbraw/zinc/30/18/52/693301852.db2.gz CXSWEOPPDMJTDA-SJORKVTESA-N 1 3 320.433 2.332 20 0 DEADHO CC(=O)N1CCC[C@H](C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925663764 693320598 /nfs/dbraw/zinc/32/05/98/693320598.db2.gz VVHZOEXDURADFA-NXHRZFHOSA-N 1 3 307.482 2.003 20 0 DEADHO CC(C)(CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C(=O)N1CCCC1 ZINC000925716271 693328912 /nfs/dbraw/zinc/32/89/12/693328912.db2.gz CBGGSLNSKNWRAE-ILXRZTDVSA-N 1 3 307.482 2.001 20 0 DEADHO CC(C)(C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C)C(=O)N1CCCC1 ZINC000925716271 693328916 /nfs/dbraw/zinc/32/89/16/693328916.db2.gz CBGGSLNSKNWRAE-ILXRZTDVSA-N 1 3 307.482 2.001 20 0 DEADHO Cc1nc(C)c([C@H](C)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)s1 ZINC000925853649 693354295 /nfs/dbraw/zinc/35/42/95/693354295.db2.gz JVPVVSOJQYUPLX-GXFFZTMASA-N 1 3 323.462 2.096 20 0 DEADHO CCNC(=O)C1(C[NH2+]C2CCN(CCC(C)C)CC2)CCC1 ZINC000926278925 693427822 /nfs/dbraw/zinc/42/78/22/693427822.db2.gz NRJRTVUWSLSKLK-UHFFFAOYSA-N 1 3 309.498 2.393 20 0 DEADHO CCNC(=O)C1(CNC2CC[NH+](CCC(C)C)CC2)CCC1 ZINC000926278925 693427824 /nfs/dbraw/zinc/42/78/24/693427824.db2.gz NRJRTVUWSLSKLK-UHFFFAOYSA-N 1 3 309.498 2.393 20 0 DEADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCN(C/C=C\Cl)CC2)C1 ZINC001052870510 693637798 /nfs/dbraw/zinc/63/77/98/693637798.db2.gz VAIJCEFNGJNGFN-XAHVKCOTSA-N 1 3 313.873 2.051 20 0 DEADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCN(C/C=C\Cl)CC2)C1 ZINC001052870510 693637801 /nfs/dbraw/zinc/63/78/01/693637801.db2.gz VAIJCEFNGJNGFN-XAHVKCOTSA-N 1 3 313.873 2.051 20 0 DEADHO C[C@H](CC[NH2+]C[C@H](O)c1ccc(Br)cc1)N(C)C ZINC001356597122 1152094036 /nfs/dbraw/zinc/09/40/36/1152094036.db2.gz QHLDSWDHJSFSFF-RISCZKNCSA-N 1 3 315.255 2.412 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(C)cc2)[C@@H](C)C1 ZINC001402798013 1162475118 /nfs/dbraw/zinc/47/51/18/1162475118.db2.gz XGTTUXKFEPBIGR-WMZOPIPTSA-N 1 3 317.477 2.273 20 0 DEADHO C[C@H](CC[NH+](C)C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001361638856 1152700153 /nfs/dbraw/zinc/70/01/53/1152700153.db2.gz CBODCUMDGUCEEL-SJLPKXTDSA-N 1 3 317.477 2.355 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(F)cc1)C1CC1)N(C)C ZINC001379924373 1152713933 /nfs/dbraw/zinc/71/39/33/1152713933.db2.gz QJGMMTGFYHGZOB-DLBZAZTESA-N 1 3 321.440 2.150 20 0 DEADHO C[C@@H]([NH2+]CCC1CCCC1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001380679131 1152843129 /nfs/dbraw/zinc/84/31/29/1152843129.db2.gz XSRGZOSNUDYKQV-AEFFLSMTSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@@H](F)CN(C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001380956084 1152885548 /nfs/dbraw/zinc/88/55/48/1152885548.db2.gz FCTNSAYCESZZHY-HZPDHXFCSA-N 1 3 315.477 2.388 20 0 DEADHO CC[C@@H](F)CN(C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001380956084 1152885550 /nfs/dbraw/zinc/88/55/50/1152885550.db2.gz FCTNSAYCESZZHY-HZPDHXFCSA-N 1 3 315.477 2.388 20 0 DEADHO C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)NCc1ccccc1F ZINC001381418960 1153050798 /nfs/dbraw/zinc/05/07/98/1153050798.db2.gz KUTXXXIMYLVLHL-UONOGXRCSA-N 1 3 321.440 2.150 20 0 DEADHO CC(C)[C@H](C(=O)NCC[N@@H+]1CCCC1(C)C)N1CCCCC1 ZINC001362725660 1153059773 /nfs/dbraw/zinc/05/97/73/1153059773.db2.gz GNRNRGHZTFJTNS-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@H](C(=O)NCC[N@H+]1CCCC1(C)C)N1CCCCC1 ZINC001362725660 1153059777 /nfs/dbraw/zinc/05/97/77/1153059777.db2.gz GNRNRGHZTFJTNS-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[N@@H+](C)C[C@@H](C)CC(C)C ZINC001381620752 1153158484 /nfs/dbraw/zinc/15/84/84/1153158484.db2.gz IDDCKZDYHBWPBB-KBPBESRZSA-N 1 3 308.470 2.379 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[N@H+](C)C[C@@H](C)CC(C)C ZINC001381620752 1153158487 /nfs/dbraw/zinc/15/84/87/1153158487.db2.gz IDDCKZDYHBWPBB-KBPBESRZSA-N 1 3 308.470 2.379 20 0 DEADHO C[C@H](NC(=O)CN1CC[C@H](C)C1)C1C[NH+](CC2CCCCC2)C1 ZINC001381818122 1153237021 /nfs/dbraw/zinc/23/70/21/1153237021.db2.gz DRSYJJYMZBJUQH-HOTGVXAUSA-N 1 3 321.509 2.345 20 0 DEADHO CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)CC(C)(C)C)C[C@@]2(C)C1 ZINC001381946473 1153283993 /nfs/dbraw/zinc/28/39/93/1153283993.db2.gz CEAXNRRPSXZXON-HDICACEKSA-N 1 3 309.498 2.155 20 0 DEADHO CC[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)CC(C)(C)C)C[C@@]2(C)C1 ZINC001381946473 1153283998 /nfs/dbraw/zinc/28/39/98/1153283998.db2.gz CEAXNRRPSXZXON-HDICACEKSA-N 1 3 309.498 2.155 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001382168847 1153386909 /nfs/dbraw/zinc/38/69/09/1153386909.db2.gz UHAJMVHZIXDNBU-GKUQOKNUSA-N 1 3 317.477 2.477 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)CN1C(=O)CN(C)C1CCC1 ZINC001382301631 1153416844 /nfs/dbraw/zinc/41/68/44/1153416844.db2.gz XTIOESRGIVAWFU-LSDHHAIUSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001382341241 1153428950 /nfs/dbraw/zinc/42/89/50/1153428950.db2.gz HEWRPELVUPVJRW-IRXDYDNUSA-N 1 3 309.498 2.391 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001363716785 1153575279 /nfs/dbraw/zinc/57/52/79/1153575279.db2.gz KVXHGSAUPHVFPO-CVEARBPZSA-N 1 3 309.498 2.440 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001363716793 1153575409 /nfs/dbraw/zinc/57/54/09/1153575409.db2.gz KVXHGSAUPHVFPO-HZPDHXFCSA-N 1 3 309.498 2.440 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)C(C)C)cc1F ZINC001403060205 1162677684 /nfs/dbraw/zinc/67/76/84/1162677684.db2.gz ZXJBPDWRIFDYAN-CABCVRRESA-N 1 3 323.456 2.457 20 0 DEADHO CC[C@@H](F)CN[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001403067798 1162687288 /nfs/dbraw/zinc/68/72/88/1162687288.db2.gz JYURUDPYAAIJBG-CZUORRHYSA-N 1 3 309.429 2.204 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC001389495027 1155353259 /nfs/dbraw/zinc/35/32/59/1155353259.db2.gz HBGKYCZNGSVUDP-GOSISDBHSA-N 1 3 317.477 2.336 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC001389495027 1155353261 /nfs/dbraw/zinc/35/32/61/1155353261.db2.gz HBGKYCZNGSVUDP-GOSISDBHSA-N 1 3 317.477 2.336 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC12CC[NH+](CC1CCC1)CC2)N(C)C ZINC001389532490 1155363533 /nfs/dbraw/zinc/36/35/33/1155363533.db2.gz SGQRZBYTQNJLPE-HOTGVXAUSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC1CC1)C1CC1 ZINC001389679665 1155394452 /nfs/dbraw/zinc/39/44/52/1155394452.db2.gz XQYYGOPJWWZZNW-IAGOWNOFSA-N 1 3 307.482 2.144 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001390066426 1155518304 /nfs/dbraw/zinc/51/83/04/1155518304.db2.gz AHPHMBCHZLSREV-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001390161694 1155552204 /nfs/dbraw/zinc/55/22/04/1155552204.db2.gz OIFNASVGLIRCBT-GOSISDBHSA-N 1 3 317.477 2.499 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1 ZINC001390161697 1155552327 /nfs/dbraw/zinc/55/23/27/1155552327.db2.gz OIFNASVGLIRCBT-SFHVURJKSA-N 1 3 317.477 2.499 20 0 DEADHO CC[C@H](C(=O)NC1CCC([NH2+]CCC(F)(F)F)CC1)N(C)C ZINC001390268871 1155617205 /nfs/dbraw/zinc/61/72/05/1155617205.db2.gz BTULRNBXAAISIO-WXRRBKDZSA-N 1 3 323.403 2.296 20 0 DEADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC001370985065 1155662743 /nfs/dbraw/zinc/66/27/43/1155662743.db2.gz ZGLWDVQFNGKDKJ-CHWSQXEVSA-N 1 3 323.403 2.107 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CNC(=O)C2(N(C)C)CCC2)cc1F ZINC001371205402 1155784914 /nfs/dbraw/zinc/78/49/14/1155784914.db2.gz SSSSJDMPRQEIGE-CQSZACIVSA-N 1 3 321.440 2.213 20 0 DEADHO CC[C@H](C)C[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001371610273 1155884201 /nfs/dbraw/zinc/88/42/01/1155884201.db2.gz DOVZXFWNRJFJEQ-DOTOQJQBSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1cccc(F)c1 ZINC001371828939 1156034353 /nfs/dbraw/zinc/03/43/53/1156034353.db2.gz FIAGDSAGDSYLKD-HUUCEWRRSA-N 1 3 321.440 2.152 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2C)C1)N(C)C ZINC001391104963 1156117117 /nfs/dbraw/zinc/11/71/17/1156117117.db2.gz JSMHEWJPXNAQEK-SJLPKXTDSA-N 1 3 317.477 2.273 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2C)C1)N(C)C ZINC001391104963 1156117126 /nfs/dbraw/zinc/11/71/26/1156117126.db2.gz JSMHEWJPXNAQEK-SJLPKXTDSA-N 1 3 317.477 2.273 20 0 DEADHO Cc1cccc(C[N@@H+](CCNC(=O)[C@H]2CCCN2C)C2CC2)c1 ZINC001391155853 1156189516 /nfs/dbraw/zinc/18/95/16/1156189516.db2.gz PDRMUNNLIZZOLJ-GOSISDBHSA-N 1 3 315.461 2.170 20 0 DEADHO Cc1cccc(C[N@H+](CCNC(=O)[C@H]2CCCN2C)C2CC2)c1 ZINC001391155853 1156189539 /nfs/dbraw/zinc/18/95/39/1156189539.db2.gz PDRMUNNLIZZOLJ-GOSISDBHSA-N 1 3 315.461 2.170 20 0 DEADHO Cc1ccc(C[N@@H+](C)CCNC(=O)CN2CC[C@H](C)C2)c(C)c1 ZINC001372099741 1156206452 /nfs/dbraw/zinc/20/64/52/1156206452.db2.gz BKMWAJWPKVUWAH-INIZCTEOSA-N 1 3 317.477 2.193 20 0 DEADHO Cc1ccc(C[N@H+](C)CCNC(=O)CN2CC[C@H](C)C2)c(C)c1 ZINC001372099741 1156206457 /nfs/dbraw/zinc/20/64/57/1156206457.db2.gz BKMWAJWPKVUWAH-INIZCTEOSA-N 1 3 317.477 2.193 20 0 DEADHO Cc1cc(C)cc(CN(CCNC(=O)CC[NH+](C)C)C2CC2)c1 ZINC001391174511 1156215726 /nfs/dbraw/zinc/21/57/26/1156215726.db2.gz JNKDNXZWSIQTLH-UHFFFAOYSA-N 1 3 317.477 2.336 20 0 DEADHO CC(C)[NH2+][C@@H](CNC(=O)CN1CC[C@H](C)C1)c1ccccc1 ZINC001391244954 1156281339 /nfs/dbraw/zinc/28/13/39/1156281339.db2.gz NDVNKAOXALPNIR-RDJZCZTQSA-N 1 3 303.450 2.184 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCCC2)C1)N(C)C ZINC001391591929 1156575774 /nfs/dbraw/zinc/57/57/74/1156575774.db2.gz GDHWWCIDZFIRFM-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)C1)N(C)C ZINC001391591929 1156575790 /nfs/dbraw/zinc/57/57/90/1156575790.db2.gz GDHWWCIDZFIRFM-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](CNC(=O)Cc1nc[nH]c1C)[NH2+]CC1CCCCC1 ZINC001391735770 1156758042 /nfs/dbraw/zinc/75/80/42/1156758042.db2.gz BTAJTJVOXHDVDT-HNNXBMFYSA-N 1 3 306.454 2.325 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N(C)Cc1cc(F)ccc1C ZINC001403185351 1162812528 /nfs/dbraw/zinc/81/25/28/1162812528.db2.gz HJZPMIJEHQXHPP-OAHLLOKOSA-N 1 3 323.456 2.412 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N(C)Cc1cc(F)ccc1C ZINC001403185351 1162812530 /nfs/dbraw/zinc/81/25/30/1162812530.db2.gz HJZPMIJEHQXHPP-OAHLLOKOSA-N 1 3 323.456 2.412 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([C@@H](C)[NH2+]CC[C@H](C)F)CC1 ZINC001373027378 1156840905 /nfs/dbraw/zinc/84/09/05/1156840905.db2.gz FWDIWRYUZYSIEX-LSDHHAIUSA-N 1 3 315.477 2.291 20 0 DEADHO CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001392193524 1156886890 /nfs/dbraw/zinc/88/68/90/1156886890.db2.gz QSAVDCIDDXHFJC-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC(C[N@H+](C)CCCF)CC1)N(C)C ZINC001373321119 1156976391 /nfs/dbraw/zinc/97/63/91/1156976391.db2.gz RPTWADXJQGKZNF-INIZCTEOSA-N 1 3 315.477 2.103 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC(C[N@@H+](C)CCCF)CC1)N(C)C ZINC001373321119 1156976406 /nfs/dbraw/zinc/97/64/06/1156976406.db2.gz RPTWADXJQGKZNF-INIZCTEOSA-N 1 3 315.477 2.103 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CCCF)N(C)C ZINC001403291230 1162840244 /nfs/dbraw/zinc/84/02/44/1162840244.db2.gz PYUWOYAHGZKZCS-HOTGVXAUSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCCCC[N@H+]1CCCF)N(C)C ZINC001403291230 1162840245 /nfs/dbraw/zinc/84/02/45/1162840245.db2.gz PYUWOYAHGZKZCS-HOTGVXAUSA-N 1 3 315.477 2.293 20 0 DEADHO C[C@@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)CN1CC[C@H](C)C1 ZINC001392592978 1157182949 /nfs/dbraw/zinc/18/29/49/1157182949.db2.gz PULJGQLPQVPVME-GJZGRUSLSA-N 1 3 307.482 2.003 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001403311388 1162846518 /nfs/dbraw/zinc/84/65/18/1162846518.db2.gz LBAQQTDOLYMBSC-SFHVURJKSA-N 1 3 317.477 2.451 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001403311388 1162846519 /nfs/dbraw/zinc/84/65/19/1162846519.db2.gz LBAQQTDOLYMBSC-SFHVURJKSA-N 1 3 317.477 2.451 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1cccc(C)c1)N(C)C ZINC001392670407 1157318111 /nfs/dbraw/zinc/31/81/11/1157318111.db2.gz DEYSJLXFXFTDRF-DOTOQJQBSA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1cccc(C)c1)N(C)C ZINC001392670407 1157318118 /nfs/dbraw/zinc/31/81/18/1157318118.db2.gz DEYSJLXFXFTDRF-DOTOQJQBSA-N 1 3 305.466 2.272 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@H+](CC)C1 ZINC001393653104 1157894293 /nfs/dbraw/zinc/89/42/93/1157894293.db2.gz WCJOUBVPELXLAZ-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+](CC)C1 ZINC001393653104 1157894296 /nfs/dbraw/zinc/89/42/96/1157894296.db2.gz WCJOUBVPELXLAZ-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)CCN1Cc1cccc(F)c1 ZINC001393787779 1157980832 /nfs/dbraw/zinc/98/08/32/1157980832.db2.gz SBKUQGVPFOPUDT-PBHICJAKSA-N 1 3 321.440 2.247 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccccc1F)N(C)C ZINC001393826993 1158012263 /nfs/dbraw/zinc/01/22/63/1158012263.db2.gz GFXGNXVOPPDIEN-YOEHRIQHSA-N 1 3 323.456 2.396 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001375495966 1158770838 /nfs/dbraw/zinc/77/08/38/1158770838.db2.gz DVFQCOLBDHSRJM-GZTRABLKSA-N 1 3 313.873 2.098 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]CC3CCCC3)C2)C1 ZINC001375541085 1158807103 /nfs/dbraw/zinc/80/71/03/1158807103.db2.gz IPNKQMHJEZWRGW-XIRDDKMYSA-N 1 3 307.482 2.003 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3)C2)C1 ZINC001375542478 1158807613 /nfs/dbraw/zinc/80/76/13/1158807613.db2.gz NZNSGGQVKYOPQJ-KBAYOESNSA-N 1 3 315.461 2.013 20 0 DEADHO CC[C@H](F)CN1CCC([C@@H](C)NC(=O)CCC[NH+](C)C)CC1 ZINC001394842231 1158809762 /nfs/dbraw/zinc/80/97/62/1158809762.db2.gz KDUWXWOWSQETHP-ZBFHGGJFSA-N 1 3 315.477 2.293 20 0 DEADHO C[C@@H](CN(C)C(=O)C(C)(C)N1CCCCC1)[NH2+]CC1CCC1 ZINC001403556650 1162999496 /nfs/dbraw/zinc/99/94/96/1162999496.db2.gz LTEMPFOONFAUEW-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1cc(C)cc(CN(C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001403559555 1163001674 /nfs/dbraw/zinc/00/16/74/1163001674.db2.gz CJBSBTYHIYMNIV-SJLPKXTDSA-N 1 3 317.477 2.192 20 0 DEADHO Cc1cc(C)cc(CN(C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001403559555 1163001681 /nfs/dbraw/zinc/00/16/81/1163001681.db2.gz CJBSBTYHIYMNIV-SJLPKXTDSA-N 1 3 317.477 2.192 20 0 DEADHO CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001375988455 1159038166 /nfs/dbraw/zinc/03/81/66/1159038166.db2.gz LSXJBVTYDKKPLZ-UONOGXRCSA-N 1 3 319.440 2.056 20 0 DEADHO CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001375988455 1159038174 /nfs/dbraw/zinc/03/81/74/1159038174.db2.gz LSXJBVTYDKKPLZ-UONOGXRCSA-N 1 3 319.440 2.056 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001376343692 1159350148 /nfs/dbraw/zinc/35/01/48/1159350148.db2.gz ZNPMTJJPQYFHMB-KRWDZBQOSA-N 1 3 303.450 2.027 20 0 DEADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C2 ZINC001376376493 1159370646 /nfs/dbraw/zinc/37/06/46/1159370646.db2.gz IISKLURTQLDWBJ-WCXIOVBPSA-N 1 3 307.482 2.096 20 0 DEADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C2 ZINC001376376493 1159370657 /nfs/dbraw/zinc/37/06/57/1159370657.db2.gz IISKLURTQLDWBJ-WCXIOVBPSA-N 1 3 307.482 2.096 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001376469296 1159454219 /nfs/dbraw/zinc/45/42/19/1159454219.db2.gz KMUGZAKUCOXZKU-XHSDSOJGSA-N 1 3 309.498 2.246 20 0 DEADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N[C@H](C)c1ccccc1F ZINC001376803549 1159806094 /nfs/dbraw/zinc/80/60/94/1159806094.db2.gz ATTBJQYHYQTSBK-ZIAGYGMSSA-N 1 3 321.440 2.323 20 0 DEADHO CC(C)c1ccccc1CN(C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001377261652 1160090264 /nfs/dbraw/zinc/09/02/64/1160090264.db2.gz QTSBCGXQYOMWKI-KRWDZBQOSA-N 1 3 317.477 2.310 20 0 DEADHO CC(C)c1ccccc1CN(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001377261652 1160090278 /nfs/dbraw/zinc/09/02/78/1160090278.db2.gz QTSBCGXQYOMWKI-KRWDZBQOSA-N 1 3 317.477 2.310 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC2CCCC2)C1)N(C)C ZINC001377436446 1160365420 /nfs/dbraw/zinc/36/54/20/1160365420.db2.gz CROFOWQNXXZNRG-IRXDYDNUSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CC2CCCC2)C1)N(C)C ZINC001377436446 1160365428 /nfs/dbraw/zinc/36/54/28/1160365428.db2.gz CROFOWQNXXZNRG-IRXDYDNUSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC=C(Cl)Cl)C1)N(C)C ZINC001397662401 1160373256 /nfs/dbraw/zinc/37/32/56/1160373256.db2.gz DFUDUBZTFSBWNP-IJLUTSLNSA-N 1 3 322.280 2.130 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]([NH2+]CC3CCCC3)C2)CCC1 ZINC001397645985 1160381352 /nfs/dbraw/zinc/38/13/52/1160381352.db2.gz HQPRPDFIROLDIH-WKILWMFISA-N 1 3 307.482 2.145 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2C)C1)N(C)C ZINC001377459488 1160388508 /nfs/dbraw/zinc/38/85/08/1160388508.db2.gz JSMHEWJPXNAQEK-AEFFLSMTSA-N 1 3 317.477 2.273 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2C)C1)N(C)C ZINC001377459488 1160388518 /nfs/dbraw/zinc/38/85/18/1160388518.db2.gz JSMHEWJPXNAQEK-AEFFLSMTSA-N 1 3 317.477 2.273 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccsc2)C1 ZINC001377764040 1160811256 /nfs/dbraw/zinc/81/12/56/1160811256.db2.gz SYDGEYMUCMXEKU-OAHLLOKOSA-N 1 3 323.506 2.370 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccsc2)C1 ZINC001377764040 1160811262 /nfs/dbraw/zinc/81/12/62/1160811262.db2.gz SYDGEYMUCMXEKU-OAHLLOKOSA-N 1 3 323.506 2.370 20 0 DEADHO C[N@H+](CCCC1CCC1)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001377766631 1160812807 /nfs/dbraw/zinc/81/28/07/1160812807.db2.gz LTUOSNMZWAHQFT-MRXNPFEDSA-N 1 3 318.465 2.313 20 0 DEADHO C[N@@H+](CCCC1CCC1)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001377766631 1160812811 /nfs/dbraw/zinc/81/28/11/1160812811.db2.gz LTUOSNMZWAHQFT-MRXNPFEDSA-N 1 3 318.465 2.313 20 0 DEADHO C[C@@H]1C[C@H](NC/C=C\Cl)CN1C(=O)CCC[NH+]1CCCC1 ZINC001403768048 1163158258 /nfs/dbraw/zinc/15/82/58/1163158258.db2.gz GYOIDFYYPFJRFA-IORUMNFESA-N 1 3 313.873 2.194 20 0 DEADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001378033862 1160941954 /nfs/dbraw/zinc/94/19/54/1160941954.db2.gz KXJWKMJBIBBZOZ-IRXDYDNUSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N(C)Cc1cccc(F)c1 ZINC001378122160 1161035985 /nfs/dbraw/zinc/03/59/85/1161035985.db2.gz KLCRUOFKVVUTQM-CQSZACIVSA-N 1 3 321.440 2.104 20 0 DEADHO COc1cccc([C@@H](C)[NH2+][C@@H](C)CNC(=O)CN(C)C(C)C)c1 ZINC001399167494 1161265887 /nfs/dbraw/zinc/26/58/87/1161265887.db2.gz PPNBUAFKYAMAHL-LSDHHAIUSA-N 1 3 321.465 2.191 20 0 DEADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC001399831934 1161582858 /nfs/dbraw/zinc/58/28/58/1161582858.db2.gz XHZTZQLHALWYLD-HOCLYGCPSA-N 1 3 321.440 2.277 20 0 DEADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC001399831934 1161582863 /nfs/dbraw/zinc/58/28/63/1161582863.db2.gz XHZTZQLHALWYLD-HOCLYGCPSA-N 1 3 321.440 2.277 20 0 DEADHO CCC[NH2+][C@@H](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001400092285 1161651498 /nfs/dbraw/zinc/65/14/98/1161651498.db2.gz ZMTFIEIBPSSCMF-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CCC[NH2+][C@H](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001400092319 1161651760 /nfs/dbraw/zinc/65/17/60/1161651760.db2.gz ZMTFIEIBPSSCMF-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+]CCN(C)C(=O)CN2CCCC2)c1 ZINC001400095857 1161652027 /nfs/dbraw/zinc/65/20/27/1161652027.db2.gz WNNKBZBCCYGZSL-MRXNPFEDSA-N 1 3 303.450 2.200 20 0 DEADHO CCN(C(=O)CC[NH+](C)C)[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001400765859 1161817030 /nfs/dbraw/zinc/81/70/30/1161817030.db2.gz LDLBIYBIEMHKGW-GOSISDBHSA-N 1 3 317.477 2.370 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](CC)[NH2+]CCC(F)(F)F ZINC001400807157 1161825540 /nfs/dbraw/zinc/82/55/40/1161825540.db2.gz VCCRPTLNTAJZMW-CHWSQXEVSA-N 1 3 323.403 2.298 20 0 DEADHO CC[C@H](CNC(=O)C1CC[NH+](C)CC1)NCc1ccccc1F ZINC001400861921 1161836781 /nfs/dbraw/zinc/83/67/81/1161836781.db2.gz SRDWZEQFRVFBOH-MRXNPFEDSA-N 1 3 321.440 2.152 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cc(C)ccc1C)N(C)C ZINC001401138210 1161881154 /nfs/dbraw/zinc/88/11/54/1161881154.db2.gz JKFLHNSOFAYKCQ-YJBOKZPZSA-N 1 3 319.493 2.486 20 0 DEADHO CN1CCCC[C@H]1C(=O)N1CCC(CC[N@H+](C)CCF)CC1 ZINC001401312021 1161925060 /nfs/dbraw/zinc/92/50/60/1161925060.db2.gz YYDSFZBZSAHOQE-INIZCTEOSA-N 1 3 313.461 2.001 20 0 DEADHO CN1CCCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)CCF)CC1 ZINC001401312021 1161925062 /nfs/dbraw/zinc/92/50/62/1161925062.db2.gz YYDSFZBZSAHOQE-INIZCTEOSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)CC[NH+](C)C ZINC001401387250 1161968290 /nfs/dbraw/zinc/96/82/90/1161968290.db2.gz MWYGQJRUMTUNHY-AWEZNQCLSA-N 1 3 309.429 2.229 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001401629027 1162051899 /nfs/dbraw/zinc/05/18/99/1162051899.db2.gz UMCZMIXVGDUQRG-CVEARBPZSA-N 1 3 323.506 2.464 20 0 DEADHO CC[N@H+](C)CCC(=O)NCC1(NCc2ccc(F)cc2C)CC1 ZINC001401975737 1162204261 /nfs/dbraw/zinc/20/42/61/1162204261.db2.gz IJYBMUDILYOJCF-UHFFFAOYSA-N 1 3 321.440 2.214 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCC1(NCc2ccc(F)cc2C)CC1 ZINC001401975737 1162204267 /nfs/dbraw/zinc/20/42/67/1162204267.db2.gz IJYBMUDILYOJCF-UHFFFAOYSA-N 1 3 321.440 2.214 20 0 DEADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@H+](CCC(C)(C)C)C2)CCC1 ZINC001404078445 1163423840 /nfs/dbraw/zinc/42/38/40/1163423840.db2.gz GAHSMHRKQOXUQM-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@@H+](CCC(C)(C)C)C2)CCC1 ZINC001404078445 1163423855 /nfs/dbraw/zinc/42/38/55/1163423855.db2.gz GAHSMHRKQOXUQM-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](F)C[N@@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001404494643 1163682178 /nfs/dbraw/zinc/68/21/78/1163682178.db2.gz BGVIHTPMTCHBGC-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](F)C[N@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001404494643 1163682180 /nfs/dbraw/zinc/68/21/80/1163682180.db2.gz BGVIHTPMTCHBGC-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1C[NH+](CCC2CCCC2)C1 ZINC001404934291 1163864525 /nfs/dbraw/zinc/86/45/25/1163864525.db2.gz UWWLZOCEUSPJCN-HZPDHXFCSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccsc1)C(C)C)N(C)C ZINC001406035826 1164401682 /nfs/dbraw/zinc/40/16/82/1164401682.db2.gz JUTOUOYXQHTVRB-HUUCEWRRSA-N 1 3 311.495 2.319 20 0 DEADHO CC(C)[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccsc1 ZINC001406045509 1164406211 /nfs/dbraw/zinc/40/62/11/1164406211.db2.gz MZBITQLVNPXZJU-HOCLYGCPSA-N 1 3 323.506 2.320 20 0 DEADHO CCc1ccccc1C[N@H+](C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001406121465 1164459766 /nfs/dbraw/zinc/45/97/66/1164459766.db2.gz GKMNJAHKZSOLHN-GOSISDBHSA-N 1 3 317.477 2.233 20 0 DEADHO CCc1ccccc1C[N@@H+](C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001406121465 1164459771 /nfs/dbraw/zinc/45/97/71/1164459771.db2.gz GKMNJAHKZSOLHN-GOSISDBHSA-N 1 3 317.477 2.233 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)c1cccc(C)c1)N(C)C ZINC001406378410 1164560020 /nfs/dbraw/zinc/56/00/20/1164560020.db2.gz KAWLRQJWILLJFB-HLLBOEOZSA-N 1 3 305.466 2.491 20 0 DEADHO C[C@H](C[NH2+]Cc1cccc(F)c1)NC(=O)CN(C)CC(C)(C)C ZINC001406404241 1164569677 /nfs/dbraw/zinc/56/96/77/1164569677.db2.gz YOMAWJVDRQSMIC-CQSZACIVSA-N 1 3 323.456 2.398 20 0 DEADHO Cc1cccc(C)c1C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001406484015 1164633471 /nfs/dbraw/zinc/63/34/71/1164633471.db2.gz RWYPITXELUNEAL-WMZOPIPTSA-N 1 3 319.493 2.484 20 0 DEADHO Cc1cccc(CN(C)C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001406594993 1164714127 /nfs/dbraw/zinc/71/41/27/1164714127.db2.gz CDBDBPJZPKRECH-JFIYKMOQSA-N 1 3 317.477 2.272 20 0 DEADHO Cc1cccc(CN(C)C[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001406594993 1164714141 /nfs/dbraw/zinc/71/41/41/1164714141.db2.gz CDBDBPJZPKRECH-JFIYKMOQSA-N 1 3 317.477 2.272 20 0 DEADHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001408211106 1165534239 /nfs/dbraw/zinc/53/42/39/1165534239.db2.gz CSFIWXUREXEIMO-CABCVRRESA-N 1 3 309.498 2.249 20 0 DEADHO C[C@@H]1[C@H](C(=O)N2CCN(CC3CCCCCC3)CC2)CC[N@@H+]1C ZINC001415128587 1166136539 /nfs/dbraw/zinc/13/65/39/1166136539.db2.gz MGGSFRLFBSLHGF-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1[C@H](C(=O)N2CCN(CC3CCCCCC3)CC2)CC[N@H+]1C ZINC001415128587 1166136545 /nfs/dbraw/zinc/13/65/45/1166136545.db2.gz MGGSFRLFBSLHGF-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)C[C@@H]2CC[N@@H+]2CCC2CCCC2)C1 ZINC001417759093 1167192347 /nfs/dbraw/zinc/19/23/47/1167192347.db2.gz QMAFXMJJHMKFKA-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)C[C@@H]2CC[N@H+]2CCC2CCCC2)C1 ZINC001417759093 1167192353 /nfs/dbraw/zinc/19/23/53/1167192353.db2.gz QMAFXMJJHMKFKA-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1)N(C)C ZINC001417798180 1167221488 /nfs/dbraw/zinc/22/14/88/1167221488.db2.gz LJSLKDPJRRAXLT-BRWVUGGUSA-N 1 3 303.450 2.011 20 0 DEADHO C[C@H](F)CC[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001417841036 1167248723 /nfs/dbraw/zinc/24/87/23/1167248723.db2.gz QCCGXCCDILHEMX-KBPBESRZSA-N 1 3 310.417 2.061 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001417962423 1167330896 /nfs/dbraw/zinc/33/08/96/1167330896.db2.gz NYFQFYYPRXYURM-YOIVXCQUSA-N 1 3 313.873 2.051 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1 ZINC001418220686 1167500043 /nfs/dbraw/zinc/50/00/43/1167500043.db2.gz JRPGKAOGIASTME-WBVHZDCISA-N 1 3 303.450 2.154 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001418460637 1167675870 /nfs/dbraw/zinc/67/58/70/1167675870.db2.gz GAYINLAZNNBRJY-GOSISDBHSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001418460637 1167675875 /nfs/dbraw/zinc/67/58/75/1167675875.db2.gz GAYINLAZNNBRJY-GOSISDBHSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1cc(C)cc(C[N@@H+](C)CCNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001418495493 1167716513 /nfs/dbraw/zinc/71/65/13/1167716513.db2.gz OXIHAOVSJAYBRV-OAHLLOKOSA-N 1 3 317.477 2.193 20 0 DEADHO Cc1cc(C)cc(C[N@H+](C)CCNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001418495493 1167716527 /nfs/dbraw/zinc/71/65/27/1167716527.db2.gz OXIHAOVSJAYBRV-OAHLLOKOSA-N 1 3 317.477 2.193 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001418696431 1167892136 /nfs/dbraw/zinc/89/21/36/1167892136.db2.gz GMMBWIQTWRDUDB-XIRDDKMYSA-N 1 3 321.440 2.150 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([C@@H](C)[NH2+]C/C=C/Cl)CC1 ZINC001418841009 1168002152 /nfs/dbraw/zinc/00/21/52/1168002152.db2.gz CXPBTQSUTDHRKZ-LHRNQBEKSA-N 1 3 315.889 2.296 20 0 DEADHO C[C@H](F)CCN1CC(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001419036551 1168150260 /nfs/dbraw/zinc/15/02/60/1168150260.db2.gz BFPCHYCTHRZBCQ-HNNXBMFYSA-N 1 3 313.461 2.049 20 0 DEADHO CC[C@H](F)C[NH2+][C@@H](CC)CNC(=O)C(C)(C)N1CCCC1 ZINC001419224374 1168326757 /nfs/dbraw/zinc/32/67/57/1168326757.db2.gz PCDXJMPLIVAVFE-KBPBESRZSA-N 1 3 301.450 2.093 20 0 DEADHO CC[NH2+]CC1(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CCCC1 ZINC001419315104 1168393413 /nfs/dbraw/zinc/39/34/13/1168393413.db2.gz OEXCLFSJZARGIA-QGZVFWFLSA-N 1 3 313.461 2.237 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C)C1 ZINC001419974991 1169024217 /nfs/dbraw/zinc/02/42/17/1169024217.db2.gz UBKRAMDGPHQZBT-KRWDZBQOSA-N 1 3 303.450 2.027 20 0 DEADHO Cc1cccc(CN(C)CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC001420351687 1169390398 /nfs/dbraw/zinc/39/03/98/1169390398.db2.gz ZVBXQUBIDDLJSA-CALCHBBNSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1cccc(CN(C)CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC001420351687 1169390405 /nfs/dbraw/zinc/39/04/05/1169390405.db2.gz ZVBXQUBIDDLJSA-CALCHBBNSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001420581930 1169811523 /nfs/dbraw/zinc/81/15/23/1169811523.db2.gz BUDJPNPLDBXMMU-MRXNPFEDSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1ccccc1C[N@H+](C)C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001420581930 1169811524 /nfs/dbraw/zinc/81/15/24/1169811524.db2.gz BUDJPNPLDBXMMU-MRXNPFEDSA-N 1 3 317.477 2.416 20 0 DEADHO CC(C)CCCN1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001420838944 1171251996 /nfs/dbraw/zinc/25/19/96/1171251996.db2.gz YXGOLXMIWZPYLU-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CCCN1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001420838944 1171252014 /nfs/dbraw/zinc/25/20/14/1171252014.db2.gz YXGOLXMIWZPYLU-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO CN(CCF)CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001420968337 1171387675 /nfs/dbraw/zinc/38/76/75/1171387675.db2.gz LIAGLPQIMKKYQU-UHFFFAOYSA-N 1 3 313.461 2.002 20 0 DEADHO CCC(CC)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001421108012 1171498866 /nfs/dbraw/zinc/49/88/66/1171498866.db2.gz QEBOCVXVEORANE-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001421204281 1171586664 /nfs/dbraw/zinc/58/66/64/1171586664.db2.gz NSNMWHAFXJETFV-IKGGRYGDSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001421204281 1171586674 /nfs/dbraw/zinc/58/66/74/1171586674.db2.gz NSNMWHAFXJETFV-IKGGRYGDSA-N 1 3 307.482 2.050 20 0 DEADHO CN(C)C1(C(=O)NC[C@]2(C)CCC[N@H+](CC3CC3)C2)CCC1 ZINC001421298108 1171687212 /nfs/dbraw/zinc/68/72/12/1171687212.db2.gz QVZUXMWNZZTBNH-KRWDZBQOSA-N 1 3 307.482 2.099 20 0 DEADHO CN(C)C1(C(=O)NC[C@]2(C)CCC[N@@H+](CC3CC3)C2)CCC1 ZINC001421298108 1171687221 /nfs/dbraw/zinc/68/72/21/1171687221.db2.gz QVZUXMWNZZTBNH-KRWDZBQOSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001421545723 1171841514 /nfs/dbraw/zinc/84/15/14/1171841514.db2.gz BICOZKCEPYDHSX-GOEBONIOSA-N 1 3 323.506 2.272 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC[C@@H](C)F)CC1)N(C)C ZINC001421584110 1171858497 /nfs/dbraw/zinc/85/84/97/1171858497.db2.gz GFXVGHARFMWECM-FPCVCCKLSA-N 1 3 315.477 2.338 20 0 DEADHO CC(C)N1CCN(C2CC[NH+](C[C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC001421651901 1171883648 /nfs/dbraw/zinc/88/36/48/1171883648.db2.gz DYFUFWMRVKBXKE-MJGOQNOKSA-N 1 3 323.525 2.028 20 0 DEADHO C[C@H](C(=O)NC[C@H](C)C[NH2+]CC1CCC1)N1CCCCCC1 ZINC001421734481 1171945208 /nfs/dbraw/zinc/94/52/08/1171945208.db2.gz CWRBFUZJGQKNCH-HZPDHXFCSA-N 1 3 309.498 2.393 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1cccc(F)c1)N(C)C ZINC001421757059 1171968126 /nfs/dbraw/zinc/96/81/26/1171968126.db2.gz FORGMQVQHIRBCP-CJNGLKHVSA-N 1 3 309.429 2.008 20 0 DEADHO C[C@@H](C[NH2+]Cc1ccc(F)cc1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001421912470 1172119669 /nfs/dbraw/zinc/11/96/69/1172119669.db2.gz YEFIXCKBRGPAIH-AWEZNQCLSA-N 1 3 321.440 2.247 20 0 DEADHO C[C@@H](CNCc1ccccc1Cl)N(C)C(=O)CC[NH+](C)C ZINC001421930313 1172143033 /nfs/dbraw/zinc/14/30/33/1172143033.db2.gz JLZSQNQLLRNJIA-ZDUSSCGKSA-N 1 3 311.857 2.228 20 0 DEADHO Cc1cc(CN2CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]2C)cs1 ZINC001422125710 1172323640 /nfs/dbraw/zinc/32/36/40/1172323640.db2.gz LBMDKBGCWOBJEA-CJNGLKHVSA-N 1 3 323.506 2.477 20 0 DEADHO C[C@@H]([NH2+]CCc1cccs1)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001422319129 1172487153 /nfs/dbraw/zinc/48/71/53/1172487153.db2.gz HFDUOERKNDDVGG-KGLIPLIRSA-N 1 3 323.506 2.258 20 0 DEADHO C[C@@H](F)CC[NH2+]C1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC001422423763 1172577718 /nfs/dbraw/zinc/57/77/18/1172577718.db2.gz QMXXDQRDJCTWJF-DNOWBOINSA-N 1 3 310.417 2.060 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCCC[C@@H]2[C@H]2CCCO2)CC1 ZINC001422442833 1172595160 /nfs/dbraw/zinc/59/51/60/1172595160.db2.gz GJNBXJRENVFNGF-RTBURBONSA-N 1 3 323.525 2.436 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCCC[C@@H]2[C@H]2CCCO2)CC1 ZINC001422442833 1172595164 /nfs/dbraw/zinc/59/51/64/1172595164.db2.gz GJNBXJRENVFNGF-RTBURBONSA-N 1 3 323.525 2.436 20 0 DEADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)N(C)Cc1ccc(F)cc1 ZINC001422569086 1172717406 /nfs/dbraw/zinc/71/74/06/1172717406.db2.gz SRZJAPZRBWUMHF-AWEZNQCLSA-N 1 3 321.440 2.104 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[N@H+](C)CC1CC2(CCC2)C1 ZINC001422592692 1172742683 /nfs/dbraw/zinc/74/26/83/1172742683.db2.gz WDICBZBGUGZRTO-ZDUSSCGKSA-N 1 3 318.465 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[N@@H+](C)CC1CC2(CCC2)C1 ZINC001422592692 1172742695 /nfs/dbraw/zinc/74/26/95/1172742695.db2.gz WDICBZBGUGZRTO-ZDUSSCGKSA-N 1 3 318.465 2.277 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001422616383 1172765370 /nfs/dbraw/zinc/76/53/70/1172765370.db2.gz GGGDOTGDNOOZGU-HZPDHXFCSA-N 1 3 305.466 2.491 20 0 DEADHO CCc1cc(CNCc2ccc(OCC[NH+](C)C)cc2)n[nH]1 ZINC001422654893 1172793444 /nfs/dbraw/zinc/79/34/44/1172793444.db2.gz NUYXDPFPOYKYTB-UHFFFAOYSA-N 1 3 302.422 2.202 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1cccc(F)c1 ZINC001422761385 1172845961 /nfs/dbraw/zinc/84/59/61/1172845961.db2.gz QIXZPGOGOSNBFG-KBPBESRZSA-N 1 3 309.429 2.321 20 0 DEADHO CC[C@H](C(=O)N1CCC([N@H+](C)C/C=C\Cl)CC1)N(C)C ZINC001422935228 1172956846 /nfs/dbraw/zinc/95/68/46/1172956846.db2.gz MWFNNIFLFCVWBN-DEBLGDTFSA-N 1 3 301.862 2.002 20 0 DEADHO CC[C@H](C(=O)N1CCC([N@@H+](C)C/C=C\Cl)CC1)N(C)C ZINC001422935228 1172956852 /nfs/dbraw/zinc/95/68/52/1172956852.db2.gz MWFNNIFLFCVWBN-DEBLGDTFSA-N 1 3 301.862 2.002 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001423007138 1173011468 /nfs/dbraw/zinc/01/14/68/1173011468.db2.gz GTCWAIGCSVNRHE-ZBFHGGJFSA-N 1 3 309.498 2.391 20 0 DEADHO COC1(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)CCCCCC1 ZINC001423039706 1173035348 /nfs/dbraw/zinc/03/53/48/1173035348.db2.gz KCFZMTUOUIJQJQ-SFHVURJKSA-N 1 3 323.525 2.438 20 0 DEADHO COC1(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CCCCCC1 ZINC001423039706 1173035355 /nfs/dbraw/zinc/03/53/55/1173035355.db2.gz KCFZMTUOUIJQJQ-SFHVURJKSA-N 1 3 323.525 2.438 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H](C)NC/C=C\Cl)C1 ZINC001423129038 1173098466 /nfs/dbraw/zinc/09/84/66/1173098466.db2.gz VOYIKWYPCCFUHV-MSSSOJMCSA-N 1 3 315.889 2.297 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@H](C)NC/C=C\Cl)C1 ZINC001423129038 1173098475 /nfs/dbraw/zinc/09/84/75/1173098475.db2.gz VOYIKWYPCCFUHV-MSSSOJMCSA-N 1 3 315.889 2.297 20 0 DEADHO C[C@H](F)CC[NH2+][C@@H](C)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001423133140 1173101354 /nfs/dbraw/zinc/10/13/54/1173101354.db2.gz QCVGRSSFUWJILW-KBPBESRZSA-N 1 3 303.466 2.149 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2CCC2)CC1 ZINC001423289292 1173207974 /nfs/dbraw/zinc/20/79/74/1173207974.db2.gz RLMXKLVTCQLELE-MRXNPFEDSA-N 1 3 307.482 2.288 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001424038585 1173624217 /nfs/dbraw/zinc/62/42/17/1173624217.db2.gz HFMVEJMDIDHGKA-CVEARBPZSA-N 1 3 311.514 2.304 20 0 DEADHO CC[C@@H](F)C[NH2+]C1(C)CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001424492647 1173809641 /nfs/dbraw/zinc/80/96/41/1173809641.db2.gz SPNNSYOELBZXGZ-KGLIPLIRSA-N 1 3 301.450 2.045 20 0 DEADHO CC[C@H](F)C[NH2+]CC1(NC(=O)[C@H](CC)N(C)C)CCCCC1 ZINC001425171834 1174205590 /nfs/dbraw/zinc/20/55/90/1174205590.db2.gz GMKVBORXQVEYBP-GJZGRUSLSA-N 1 3 315.477 2.483 20 0 DEADHO CCCC[C@@H](C[NH2+]CC)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001425187241 1174217929 /nfs/dbraw/zinc/21/79/29/1174217929.db2.gz MMFJAUUIURIHFJ-WMLDXEAASA-N 1 3 315.477 2.483 20 0 DEADHO C[C@@H]1[C@@H]([NH2+]C/C=C/Cl)CCN1C(=O)CN(C)CC(C)(C)C ZINC001425888878 1174500374 /nfs/dbraw/zinc/50/03/74/1174500374.db2.gz PZGWJFZLHIFYCG-RNUUNTDPSA-N 1 3 315.889 2.296 20 0 DEADHO C[C@H]1COCC[C@H]1C[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001434529783 1178783231 /nfs/dbraw/zinc/78/32/31/1178783231.db2.gz OFPQONHYNOEHKB-VYMRPNJYSA-N 1 3 310.482 2.282 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCN1C ZINC001434766447 1178872958 /nfs/dbraw/zinc/87/29/58/1178872958.db2.gz MVMJLOVVBLVCGQ-QXSJWSMHSA-N 1 3 324.513 2.135 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCN1C ZINC001434766447 1178872960 /nfs/dbraw/zinc/87/29/60/1178872960.db2.gz MVMJLOVVBLVCGQ-QXSJWSMHSA-N 1 3 324.513 2.135 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@@H]([NH2+]C/C=C/Cl)C2)c1 ZINC001436974722 1179325222 /nfs/dbraw/zinc/32/52/22/1179325222.db2.gz AQJOFHRIEHGUFO-GEABSHSMSA-N 1 3 321.852 2.351 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001437253462 1179662534 /nfs/dbraw/zinc/66/25/34/1179662534.db2.gz YQWACOSJDUYONB-GUYCJALGSA-N 1 3 321.440 2.249 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](NC/C=C/Cl)C2)CC1 ZINC001437288674 1179694480 /nfs/dbraw/zinc/69/44/80/1179694480.db2.gz LLVXSKASHHDXMB-MIOHMZDASA-N 1 3 313.873 2.050 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[N@H+](CC1CCCCC1)C1CC1 ZINC001437819397 1180012823 /nfs/dbraw/zinc/01/28/23/1180012823.db2.gz YSLANGMLMBNMNM-UHFFFAOYSA-N 1 3 318.465 2.422 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[N@@H+](CC1CCCCC1)C1CC1 ZINC001437819397 1180012833 /nfs/dbraw/zinc/01/28/33/1180012833.db2.gz YSLANGMLMBNMNM-UHFFFAOYSA-N 1 3 318.465 2.422 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@@H](C)[NH2+]CC[C@H](C)F)CC1 ZINC001437849408 1180028322 /nfs/dbraw/zinc/02/83/22/1180028322.db2.gz CMEIWZZNFKNFBI-LSDHHAIUSA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]CC(C)C)c1ccccc1)N(C)C ZINC001437871558 1180039147 /nfs/dbraw/zinc/03/91/47/1180039147.db2.gz LGPDVYGSLKOKCW-SJORKVTESA-N 1 3 305.466 2.430 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1C[NH+](CC2CCCCC2)C1 ZINC001438157444 1180219513 /nfs/dbraw/zinc/21/95/13/1180219513.db2.gz JGLKQCFTZAKZKG-HOTGVXAUSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCc1cccs1 ZINC001438332986 1180351577 /nfs/dbraw/zinc/35/15/77/1180351577.db2.gz MSSQJTRLJFXDDG-LSDHHAIUSA-N 1 3 323.506 2.117 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]CC1CC(C)(C)C1 ZINC001438526395 1180547480 /nfs/dbraw/zinc/54/74/80/1180547480.db2.gz CQQSWVCWDWWVIE-HUUCEWRRSA-N 1 3 309.498 2.106 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001438681441 1180752053 /nfs/dbraw/zinc/75/20/53/1180752053.db2.gz JXYUGAZLRKZZKZ-DOTOQJQBSA-N 1 3 317.477 2.273 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(F)c1)N(C)C ZINC001438714707 1180784231 /nfs/dbraw/zinc/78/42/31/1180784231.db2.gz ZZKLXNSBPHAMEJ-BBRMVZONSA-N 1 3 309.429 2.102 20 0 DEADHO CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001438733247 1180801025 /nfs/dbraw/zinc/80/10/25/1180801025.db2.gz JOWMKEDVJZHXHP-WMLDXEAASA-N 1 3 315.477 2.339 20 0 DEADHO CC(C)[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CC1CCC1 ZINC001438824466 1180823409 /nfs/dbraw/zinc/82/34/09/1180823409.db2.gz BSMCSKCIRSYOJZ-MRXNPFEDSA-N 1 3 311.514 2.495 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)cc1C ZINC001439174212 1180913534 /nfs/dbraw/zinc/91/35/34/1180913534.db2.gz IOVGBQWXIVZUEI-AEFFLSMTSA-N 1 3 319.493 2.484 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001439251606 1180966993 /nfs/dbraw/zinc/96/69/93/1180966993.db2.gz HUFXKCQEBHKFHE-WFASDCNBSA-N 1 3 311.857 2.275 20 0 DEADHO C[C@@H](C[N@H+](C)CC1CC2(CCC2)C1)NC(=O)CN(C)C1CCC1 ZINC001439333372 1181027219 /nfs/dbraw/zinc/02/72/19/1181027219.db2.gz RBICRUSNIZQLOZ-HNNXBMFYSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](C[N@@H+](C)CC1CC2(CCC2)C1)NC(=O)CN(C)C1CCC1 ZINC001439333372 1181027226 /nfs/dbraw/zinc/02/72/26/1181027226.db2.gz RBICRUSNIZQLOZ-HNNXBMFYSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+]1CC1CCCCC1)N(C)C ZINC001439555862 1181141162 /nfs/dbraw/zinc/14/11/62/1181141162.db2.gz XVXBILYEOIAVON-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+]1CC1CCCCC1)N(C)C ZINC001439555862 1181141165 /nfs/dbraw/zinc/14/11/65/1181141165.db2.gz XVXBILYEOIAVON-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CCC(CC)C[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001440302015 1181435969 /nfs/dbraw/zinc/43/59/69/1181435969.db2.gz HRNFRMNSYCFURM-OIISXLGYSA-N 1 3 309.498 2.249 20 0 DEADHO CC[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001440336011 1181453040 /nfs/dbraw/zinc/45/30/40/1181453040.db2.gz TUBAGRZEVFCKRK-QAETUUGQSA-N 1 3 309.498 2.390 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC12CC[NH+](CC[C@H](C)F)CC2 ZINC001441162147 1181877756 /nfs/dbraw/zinc/87/77/56/1181877756.db2.gz SDIXZFBRRIUBEI-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]([NH2+]CC2CCCC2)C2CC2)C1 ZINC001441225979 1181902668 /nfs/dbraw/zinc/90/26/68/1181902668.db2.gz MVWLUTMUDWKLLL-YOEHRIQHSA-N 1 3 307.482 2.003 20 0 DEADHO CC(C)C[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001441509909 1182032668 /nfs/dbraw/zinc/03/26/68/1182032668.db2.gz MQBSJEOFIPNWPA-LUKYLMHMSA-N 1 3 309.498 2.247 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001441658555 1182117243 /nfs/dbraw/zinc/11/72/43/1182117243.db2.gz OGTKMKBVZPVCOA-UONOGXRCSA-N 1 3 319.440 2.199 20 0 DEADHO CC(C)C[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@@H](C)C1 ZINC001441717157 1182136197 /nfs/dbraw/zinc/13/61/97/1182136197.db2.gz OLLDDCJNCBUIQA-RXYDEIHYSA-N 1 3 321.509 2.057 20 0 DEADHO CC(C)C[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@@H](C)C1 ZINC001441717157 1182136201 /nfs/dbraw/zinc/13/62/01/1182136201.db2.gz OLLDDCJNCBUIQA-RXYDEIHYSA-N 1 3 321.509 2.057 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccccc2)C[C@H]1C ZINC001441880728 1182230923 /nfs/dbraw/zinc/23/09/23/1182230923.db2.gz SXSFBUHPSLBKKJ-WBVHZDCISA-N 1 3 303.450 2.107 20 0 DEADHO CCc1cccc(C[NH2+][C@@H](C)CNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001441942367 1182261599 /nfs/dbraw/zinc/26/15/99/1182261599.db2.gz BZGODBQARZRYKW-CVEARBPZSA-N 1 3 317.477 2.185 20 0 DEADHO CN(CCCF)CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001442401211 1182455435 /nfs/dbraw/zinc/45/54/35/1182455435.db2.gz LBGGFMDDAQHWBR-HNNXBMFYSA-N 1 3 313.461 2.049 20 0 DEADHO CN(CCCF)CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001442401211 1182455438 /nfs/dbraw/zinc/45/54/38/1182455438.db2.gz LBGGFMDDAQHWBR-HNNXBMFYSA-N 1 3 313.461 2.049 20 0 DEADHO CC[N@H+](CCNC(=O)CN(C)C(C)C)[C@@H]1CCc2ccccc21 ZINC001442756665 1182690073 /nfs/dbraw/zinc/69/00/73/1182690073.db2.gz QNFHWVVMWDQBIH-GOSISDBHSA-N 1 3 317.477 2.452 20 0 DEADHO CC[N@@H+](CCNC(=O)CN(C)C(C)C)[C@@H]1CCc2ccccc21 ZINC001442756665 1182690078 /nfs/dbraw/zinc/69/00/78/1182690078.db2.gz QNFHWVVMWDQBIH-GOSISDBHSA-N 1 3 317.477 2.452 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC001442906566 1182787976 /nfs/dbraw/zinc/78/79/76/1182787976.db2.gz MLAWMUGIJNWQTC-MRXNPFEDSA-N 1 3 321.440 2.104 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC001442906566 1182787985 /nfs/dbraw/zinc/78/79/85/1182787985.db2.gz MLAWMUGIJNWQTC-MRXNPFEDSA-N 1 3 321.440 2.104 20 0 DEADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+][C@H]1CCc2ccccc21 ZINC001444047775 1183273802 /nfs/dbraw/zinc/27/38/02/1183273802.db2.gz WWGSXCJOHSUKBL-WMZOPIPTSA-N 1 3 317.477 2.499 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(Cl)s1 ZINC001445659427 1183958121 /nfs/dbraw/zinc/95/81/21/1183958121.db2.gz UPBKAECNCMOHNB-NSHDSACASA-N 1 3 317.886 2.336 20 0 DEADHO CN(C)C1(C(=O)N[C@@H](C[NH2+]CC2CCCC2)C2CC2)CCC1 ZINC001445972361 1184156742 /nfs/dbraw/zinc/15/67/42/1184156742.db2.gz XAZIZWMPKXKHQE-INIZCTEOSA-N 1 3 307.482 2.145 20 0 DEADHO CN(C)C1(C(=O)NCC2([NH2+]Cc3ccc(F)cc3)CC2)CCC1 ZINC001446173844 1184261626 /nfs/dbraw/zinc/26/16/26/1184261626.db2.gz BSZCMFWMLIZHSZ-UHFFFAOYSA-N 1 3 319.424 2.048 20 0 DEADHO CC(C)(C(=O)NCC1(NCc2ccsc2)CC1)[NH+]1CCCC1 ZINC001446223935 1184274156 /nfs/dbraw/zinc/27/41/56/1184274156.db2.gz NXWHRCXMBFHMBN-UHFFFAOYSA-N 1 3 321.490 2.361 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CCC(F)(F)F)C1 ZINC001446943670 1184585750 /nfs/dbraw/zinc/58/57/50/1184585750.db2.gz MOHMECPUAUTFTM-STQMWFEESA-N 1 3 323.403 2.106 20 0 DEADHO CC[C@H](F)CN1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001447437294 1184774657 /nfs/dbraw/zinc/77/46/57/1184774657.db2.gz GULOSAZEGNXLKS-DOTOQJQBSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@H](CNC(=O)CC[NH+](C)C)N(C)[C@H]1CCc2ccc(F)cc21 ZINC001448093540 1185072368 /nfs/dbraw/zinc/07/23/68/1185072368.db2.gz YNVBNDMVDVNDBO-DYVFJYSZSA-N 1 3 321.440 2.201 20 0 DEADHO NCc1cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ncn1 ZINC001164626031 719070389 /nfs/dbraw/zinc/07/03/89/719070389.db2.gz NYNVQPFAUXRSQR-SJLPKXTDSA-N 1 3 323.444 2.036 20 0 DEADHO NCc1cc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ncn1 ZINC001164626031 719070395 /nfs/dbraw/zinc/07/03/95/719070395.db2.gz NYNVQPFAUXRSQR-SJLPKXTDSA-N 1 3 323.444 2.036 20 0 DEADHO Cc1c[nH+]c(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)cc1N ZINC001164735695 720427502 /nfs/dbraw/zinc/42/75/02/720427502.db2.gz XORXEJMXALHVTF-DLBZAZTESA-N 1 3 309.417 2.220 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CC[N@H+](CCCC1CCC1)C2)N(C)C ZINC001072851348 790272839 /nfs/dbraw/zinc/27/28/39/790272839.db2.gz RTLULUDUWOLCGZ-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](CCCC1CCC1)C2)N(C)C ZINC001072851348 790272845 /nfs/dbraw/zinc/27/28/45/790272845.db2.gz RTLULUDUWOLCGZ-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC1CCN(CC(=O)N2CCCC[C@H]2C[N@H+](C)CC2CC2)CC1 ZINC001089246120 782314696 /nfs/dbraw/zinc/31/46/96/782314696.db2.gz UUMVMCLOXWFBGF-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CC1CCN(CC(=O)N2CCCC[C@H]2C[N@@H+](C)CC2CC2)CC1 ZINC001089246120 782314702 /nfs/dbraw/zinc/31/47/02/782314702.db2.gz UUMVMCLOXWFBGF-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccsc2)C1)N(C)C ZINC001370789424 1149835851 /nfs/dbraw/zinc/83/58/51/1149835851.db2.gz ZGKKDZAWQAUWAQ-GOEBONIOSA-N 1 3 323.506 2.417 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccsc2)C1)N(C)C ZINC001370789424 1149835852 /nfs/dbraw/zinc/83/58/52/1149835852.db2.gz ZGKKDZAWQAUWAQ-GOEBONIOSA-N 1 3 323.506 2.417 20 0 DEADHO CC(C)(C(=O)NCC[NH2+]CCc1ccccc1)N1CCCCC1 ZINC001127317791 782634289 /nfs/dbraw/zinc/63/42/89/782634289.db2.gz XBHHNGLTMYKGHG-UHFFFAOYSA-N 1 3 317.477 2.199 20 0 DEADHO O=C(NCCNC/C=C\Cl)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127345177 782733667 /nfs/dbraw/zinc/73/36/67/782733667.db2.gz XXXDLDSPUSUDOK-VCDPDADVSA-N 1 3 313.873 2.099 20 0 DEADHO O=C(NCCNC/C=C\Cl)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127345177 782733674 /nfs/dbraw/zinc/73/36/74/782733674.db2.gz XXXDLDSPUSUDOK-VCDPDADVSA-N 1 3 313.873 2.099 20 0 DEADHO CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001106665809 782839815 /nfs/dbraw/zinc/83/98/15/782839815.db2.gz CCFDHNAGRQFSJO-LZLYRXPVSA-N 1 3 323.525 2.449 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CCC(C)(C)C)[C@H](C)C1 ZINC001106783487 782932881 /nfs/dbraw/zinc/93/28/81/782932881.db2.gz RSSBAZXRXWJZHN-HZPDHXFCSA-N 1 3 311.514 2.449 20 0 DEADHO CCC[N@@H+]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089490402 783155825 /nfs/dbraw/zinc/15/58/25/783155825.db2.gz AOOXUNXYDXSXRC-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CCC[N@H+]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089490402 783155832 /nfs/dbraw/zinc/15/58/32/783155832.db2.gz AOOXUNXYDXSXRC-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO COCOCCCN1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001209029759 776651552 /nfs/dbraw/zinc/65/15/52/776651552.db2.gz OOOWXCKCLOAPNF-QZTJIDSGSA-N 1 3 304.434 2.061 20 0 DEADHO CC[C@@H](C)C[NH2+]CC1(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001167232666 776786330 /nfs/dbraw/zinc/78/63/30/776786330.db2.gz LTFULZPHJSSTFE-CVEARBPZSA-N 1 3 309.498 2.250 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H](NC[C@@H](F)CC)C1 ZINC001210788687 776948528 /nfs/dbraw/zinc/94/85/28/776948528.db2.gz HVFDKGYOEXYKNY-GJZGRUSLSA-N 1 3 301.450 2.047 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H](NC[C@@H](F)CC)C1 ZINC001210788687 776948534 /nfs/dbraw/zinc/94/85/34/776948534.db2.gz HVFDKGYOEXYKNY-GJZGRUSLSA-N 1 3 301.450 2.047 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1C ZINC001207232371 777199984 /nfs/dbraw/zinc/19/99/84/777199984.db2.gz TUYQEMSFGIUATP-OWCLPIDISA-N 1 3 313.461 2.069 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CC=C(C)C)C[C@H]1C ZINC001207232371 777199986 /nfs/dbraw/zinc/19/99/86/777199986.db2.gz TUYQEMSFGIUATP-OWCLPIDISA-N 1 3 313.461 2.069 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+]CCCCCF ZINC001167628194 777405686 /nfs/dbraw/zinc/40/56/86/777405686.db2.gz XAHZEUVMZBUSPS-MRXNPFEDSA-N 1 3 315.477 2.485 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCC1CC([NH2+]CCCCCF)C1 ZINC001100675930 777675415 /nfs/dbraw/zinc/67/54/15/777675415.db2.gz CZGIZUGUZHYFDE-QQFBHYJXSA-N 1 3 313.461 2.095 20 0 DEADHO CC(C)[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001104684191 778021928 /nfs/dbraw/zinc/02/19/28/778021928.db2.gz YYEZLKBBMUWRAR-HZPDHXFCSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@H](C)C[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104728863 778050429 /nfs/dbraw/zinc/05/04/29/778050429.db2.gz DSTMIFMFJRCTHS-RRFJBIMHSA-N 1 3 306.454 2.073 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC001149135383 778088555 /nfs/dbraw/zinc/08/85/55/778088555.db2.gz YGWHCXYHHMEVDK-UKRRQHHQSA-N 1 3 306.454 2.183 20 0 DEADHO CCCc1ccc(C(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)s1 ZINC001161449153 778115572 /nfs/dbraw/zinc/11/55/72/778115572.db2.gz KFANHZTVZPGVDX-CQSZACIVSA-N 1 3 323.506 2.456 20 0 DEADHO CCN(CC)CC(=O)NCC1CC([NH2+]CCC2CCCC2)C1 ZINC001100771106 778147442 /nfs/dbraw/zinc/14/74/42/778147442.db2.gz YKEYMCAODSMNAF-UHFFFAOYSA-N 1 3 309.498 2.393 20 0 DEADHO CC[C@H](F)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105067032 778322379 /nfs/dbraw/zinc/32/23/79/778322379.db2.gz KALOSRJFVITYPF-OAGGEKHMSA-N 1 3 315.477 2.149 20 0 DEADHO [NH3+]CCCN1CCN([C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171105846 790645108 /nfs/dbraw/zinc/64/51/08/790645108.db2.gz WYMGMJSAWAITQT-KRWDZBQOSA-N 1 3 307.869 2.164 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001075779444 779219402 /nfs/dbraw/zinc/21/94/02/779219402.db2.gz KEEIHYKTLGDRCS-YESZJQIVSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001075779444 779219410 /nfs/dbraw/zinc/21/94/10/779219410.db2.gz KEEIHYKTLGDRCS-YESZJQIVSA-N 1 3 307.482 2.048 20 0 DEADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](CC3CCC3)CC[C@@H]2C1)C1CCC1 ZINC001087995209 779620966 /nfs/dbraw/zinc/62/09/66/779620966.db2.gz YYGLDDWIISLUGI-SJORKVTESA-N 1 3 319.493 2.051 20 0 DEADHO CN(CC(=O)N1C[C@@H]2C[N@H+](CC3CCC3)CC[C@@H]2C1)C1CCC1 ZINC001087995209 779620973 /nfs/dbraw/zinc/62/09/73/779620973.db2.gz YYGLDDWIISLUGI-SJORKVTESA-N 1 3 319.493 2.051 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CCC3)CC[C@@H]2C1)N(C)C ZINC001088002787 779627086 /nfs/dbraw/zinc/62/70/86/779627086.db2.gz TVNCVAMOHVZNAD-SQNIBIBYSA-N 1 3 321.509 2.153 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC3CCC3)CC[C@@H]2C1)N(C)C ZINC001088002787 779627091 /nfs/dbraw/zinc/62/70/91/779627091.db2.gz TVNCVAMOHVZNAD-SQNIBIBYSA-N 1 3 321.509 2.153 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106810 779705953 /nfs/dbraw/zinc/70/59/53/779705953.db2.gz SCSNTVFDEIFFOG-KSZLIROESA-N 1 3 319.493 2.075 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106810 779705960 /nfs/dbraw/zinc/70/59/60/779705960.db2.gz SCSNTVFDEIFFOG-KSZLIROESA-N 1 3 319.493 2.075 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC([N@H+](C)CCC2CC2)CC1)C1CC1 ZINC000985467581 779847567 /nfs/dbraw/zinc/84/75/67/779847567.db2.gz KZKQMVAJDDLHDS-KRWDZBQOSA-N 1 3 307.482 2.050 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC([N@@H+](C)CCC2CC2)CC1)C1CC1 ZINC000985467581 779847576 /nfs/dbraw/zinc/84/75/76/779847576.db2.gz KZKQMVAJDDLHDS-KRWDZBQOSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CCC2CC2)C1)N(C)C ZINC001088383855 780056502 /nfs/dbraw/zinc/05/65/02/780056502.db2.gz OAMSWHSNOPVWJO-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)=CCN1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC001088653770 780690768 /nfs/dbraw/zinc/69/07/68/780690768.db2.gz GUNGMKDWYIGZMM-SJORKVTESA-N 1 3 319.493 2.408 20 0 DEADHO c1n[nH]nc1CN1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001203214343 780854119 /nfs/dbraw/zinc/85/41/19/780854119.db2.gz YBYJOAGNZRQXHW-SJORKVTESA-N 1 3 311.433 2.149 20 0 DEADHO c1n[nH]nc1CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001203214343 780854130 /nfs/dbraw/zinc/85/41/30/780854130.db2.gz YBYJOAGNZRQXHW-SJORKVTESA-N 1 3 311.433 2.149 20 0 DEADHO c1[nH]nnc1CN1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001203214343 780854139 /nfs/dbraw/zinc/85/41/39/780854139.db2.gz YBYJOAGNZRQXHW-SJORKVTESA-N 1 3 311.433 2.149 20 0 DEADHO c1[nH]nnc1CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001203214343 780854149 /nfs/dbraw/zinc/85/41/49/780854149.db2.gz YBYJOAGNZRQXHW-SJORKVTESA-N 1 3 311.433 2.149 20 0 DEADHO COC[C@@]12CCCO[C@@H]1CCN(C1CC[NH+](CC3CC3)CC1)C2 ZINC001168378414 781745570 /nfs/dbraw/zinc/74/55/70/781745570.db2.gz VCVZEPPEJDFAQG-MOPGFXCFSA-N 1 3 322.493 2.378 20 0 DEADHO Cc1nnc([C@H]2CCC[N@@H+](C3CCN(CC4CC4)CC3)C2)o1 ZINC001168388712 781776877 /nfs/dbraw/zinc/77/68/77/781776877.db2.gz GZUNKZJJKPHAGP-HNNXBMFYSA-N 1 3 304.438 2.432 20 0 DEADHO Cc1nnc([C@H]2CCC[N@H+](C3CCN(CC4CC4)CC3)C2)o1 ZINC001168388712 781776890 /nfs/dbraw/zinc/77/68/90/781776890.db2.gz GZUNKZJJKPHAGP-HNNXBMFYSA-N 1 3 304.438 2.432 20 0 DEADHO CCOC(=O)NC1CC[NH+](C2CCN(CC3CC3)CC2)CC1 ZINC001168395067 781787772 /nfs/dbraw/zinc/78/77/72/781787772.db2.gz KUYMORXBJNNALT-UHFFFAOYSA-N 1 3 309.454 2.071 20 0 DEADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@@H](C)c1ccc(C)cc1 ZINC001144463997 790921221 /nfs/dbraw/zinc/92/12/21/790921221.db2.gz IDKRTUUNUPDKFV-AWEZNQCLSA-N 1 3 304.438 2.162 20 0 DEADHO CCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001089821515 783480578 /nfs/dbraw/zinc/48/05/78/783480578.db2.gz UTTRGESENKPQMY-OWLYRPNTSA-N 1 3 319.493 2.050 20 0 DEADHO CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001089821515 783480581 /nfs/dbraw/zinc/48/05/81/783480581.db2.gz UTTRGESENKPQMY-OWLYRPNTSA-N 1 3 319.493 2.050 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCC1 ZINC001085589373 783867947 /nfs/dbraw/zinc/86/79/47/783867947.db2.gz KIZMVILQEBTIQL-SJORKVTESA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCC1 ZINC001085589373 783867958 /nfs/dbraw/zinc/86/79/58/783867958.db2.gz KIZMVILQEBTIQL-SJORKVTESA-N 1 3 307.482 2.192 20 0 DEADHO C[C@@H]1CC[N@H+](CC2CCC2)C[C@@H]1NC(=O)C12CCCN1CCC2 ZINC000967204315 783903854 /nfs/dbraw/zinc/90/38/54/783903854.db2.gz HZZRRTOWNVUYFL-WBVHZDCISA-N 1 3 319.493 2.242 20 0 DEADHO C[C@@H]1CC[N@@H+](CC2CCC2)C[C@@H]1NC(=O)C12CCCN1CCC2 ZINC000967204315 783903859 /nfs/dbraw/zinc/90/38/59/783903859.db2.gz HZZRRTOWNVUYFL-WBVHZDCISA-N 1 3 319.493 2.242 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC000967211193 783906543 /nfs/dbraw/zinc/90/65/43/783906543.db2.gz XKPYURNBTLQDIP-HZPDHXFCSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC000967211193 783906551 /nfs/dbraw/zinc/90/65/51/783906551.db2.gz XKPYURNBTLQDIP-HZPDHXFCSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)CN1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001085688951 783966603 /nfs/dbraw/zinc/96/66/03/783966603.db2.gz VJOWUELBYOEZRE-DLBZAZTESA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)CN1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001085688951 783966613 /nfs/dbraw/zinc/96/66/13/783966613.db2.gz VJOWUELBYOEZRE-DLBZAZTESA-N 1 3 309.498 2.296 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000967926516 784178072 /nfs/dbraw/zinc/17/80/72/784178072.db2.gz XKZLIBCPHNVXSE-IAGOWNOFSA-N 1 3 307.482 2.242 20 0 DEADHO CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968673333 784533324 /nfs/dbraw/zinc/53/33/24/784533324.db2.gz JMDLSHUMGPPGHR-YOEHRIQHSA-N 1 3 303.450 2.208 20 0 DEADHO CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968673333 784533327 /nfs/dbraw/zinc/53/33/27/784533327.db2.gz JMDLSHUMGPPGHR-YOEHRIQHSA-N 1 3 303.450 2.208 20 0 DEADHO CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968673325 784533437 /nfs/dbraw/zinc/53/34/37/784533437.db2.gz JMDLSHUMGPPGHR-PBHICJAKSA-N 1 3 303.450 2.208 20 0 DEADHO CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968673325 784533443 /nfs/dbraw/zinc/53/34/43/784533443.db2.gz JMDLSHUMGPPGHR-PBHICJAKSA-N 1 3 303.450 2.208 20 0 DEADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC000968924775 784653437 /nfs/dbraw/zinc/65/34/37/784653437.db2.gz WQISVLSXXOVKMP-QGZVFWFLSA-N 1 3 315.461 2.170 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001007327992 784889671 /nfs/dbraw/zinc/88/96/71/784889671.db2.gz OOFROVVKYRSVBC-SJORKVTESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001007327992 784889680 /nfs/dbraw/zinc/88/96/80/784889680.db2.gz OOFROVVKYRSVBC-SJORKVTESA-N 1 3 309.498 2.486 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1nc(-c3ccccc3)no1)C2 ZINC001169093548 785031446 /nfs/dbraw/zinc/03/14/46/785031446.db2.gz IIVSYZOJSZLKEU-PHZGNYQRSA-N 1 3 312.417 2.494 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC[C@@H]1CCN1C(=O)OC(C)(C)C)C2 ZINC001169089255 785039815 /nfs/dbraw/zinc/03/98/15/785039815.db2.gz AEDYDWQXCWIYJU-XQLPTFJDSA-N 1 3 309.454 2.211 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC[C@@H]1CCN1C(=O)OC(C)(C)C)C2 ZINC001169089255 785039824 /nfs/dbraw/zinc/03/98/24/785039824.db2.gz AEDYDWQXCWIYJU-XQLPTFJDSA-N 1 3 309.454 2.211 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1)C2 ZINC001169126734 785046033 /nfs/dbraw/zinc/04/60/33/785046033.db2.gz XDLVAKOGIJFVKG-HTOAHKCRSA-N 1 3 324.362 2.339 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1)C2 ZINC001169126734 785046041 /nfs/dbraw/zinc/04/60/41/785046041.db2.gz XDLVAKOGIJFVKG-HTOAHKCRSA-N 1 3 324.362 2.339 20 0 DEADHO CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)N(C)CC)C2 ZINC001108717470 785503559 /nfs/dbraw/zinc/50/35/59/785503559.db2.gz LGHYDZUMVBYKFJ-JYJNAYRXSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[C@H](C)CN1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001112857239 786259331 /nfs/dbraw/zinc/25/93/31/786259331.db2.gz BMXONOFXHWWZDO-WMZOPIPTSA-N 1 3 321.509 2.155 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(CC)CC)C1 ZINC001014630159 786667597 /nfs/dbraw/zinc/66/75/97/786667597.db2.gz MRFSONWHSQHYQT-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(CC)CC)C1 ZINC001014630159 786667600 /nfs/dbraw/zinc/66/76/00/786667600.db2.gz MRFSONWHSQHYQT-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCCCN3C)C2)cs1 ZINC001014966840 786830805 /nfs/dbraw/zinc/83/08/05/786830805.db2.gz ZEWBGLSCZHKIJU-HOTGVXAUSA-N 1 3 321.490 2.231 20 0 DEADHO Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCCN3C)C2)cs1 ZINC001014966840 786830818 /nfs/dbraw/zinc/83/08/18/786830818.db2.gz ZEWBGLSCZHKIJU-HOTGVXAUSA-N 1 3 321.490 2.231 20 0 DEADHO Cc1cc(CN2CC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)cs1 ZINC001014966840 786830829 /nfs/dbraw/zinc/83/08/29/786830829.db2.gz ZEWBGLSCZHKIJU-HOTGVXAUSA-N 1 3 321.490 2.231 20 0 DEADHO Cc1cc(CN2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cs1 ZINC001014966840 786830837 /nfs/dbraw/zinc/83/08/37/786830837.db2.gz ZEWBGLSCZHKIJU-HOTGVXAUSA-N 1 3 321.490 2.231 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCNCc1ccc(F)cc1 ZINC001129410260 787207791 /nfs/dbraw/zinc/20/77/91/787207791.db2.gz ICXLPKUSTQKUMO-KRWDZBQOSA-N 1 3 321.440 2.294 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCNCc1ccc(F)cc1 ZINC001129410260 787207799 /nfs/dbraw/zinc/20/77/99/787207799.db2.gz ICXLPKUSTQKUMO-KRWDZBQOSA-N 1 3 321.440 2.294 20 0 DEADHO Cc1cc(C[NH2+]CCNC(=O)CN(C)C2CCC2)c(C)s1 ZINC001129535490 787225438 /nfs/dbraw/zinc/22/54/38/787225438.db2.gz UZGLPLKYHJLENM-UHFFFAOYSA-N 1 3 309.479 2.055 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[NH2+][C@@H](C)c1cccc(F)c1)N(C)C ZINC001129953650 787263671 /nfs/dbraw/zinc/26/36/71/787263671.db2.gz MXTHFPRLXGHLDL-BBRMVZONSA-N 1 3 309.429 2.179 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C ZINC001129946968 787265081 /nfs/dbraw/zinc/26/50/81/787265081.db2.gz CDMHYVMSSOOWHE-WBVHZDCISA-N 1 3 305.466 2.348 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+][C@@H](C)c1ccc(F)c(F)c1)N(C)C ZINC001130201242 787318055 /nfs/dbraw/zinc/31/80/55/787318055.db2.gz ZCKUVLSGSRVGDB-XHDPSFHLSA-N 1 3 313.392 2.072 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]Cc1c(C)cccc1C ZINC001130418862 787392970 /nfs/dbraw/zinc/39/29/70/787392970.db2.gz AAKDVAWQWDXLGN-UHFFFAOYSA-N 1 3 305.466 2.240 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCNCc1cccc(F)c1 ZINC001130710885 787462166 /nfs/dbraw/zinc/46/21/66/787462166.db2.gz HTISIEYNLLFPBN-QGZVFWFLSA-N 1 3 321.440 2.152 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCNCc1cccc(F)c1 ZINC001130710885 787462170 /nfs/dbraw/zinc/46/21/70/787462170.db2.gz HTISIEYNLLFPBN-QGZVFWFLSA-N 1 3 321.440 2.152 20 0 DEADHO CCCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C ZINC001133135103 788290896 /nfs/dbraw/zinc/29/08/96/788290896.db2.gz LOCCYDSZJXZZAH-HUUCEWRRSA-N 1 3 306.454 2.217 20 0 DEADHO CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C ZINC001133135123 788291636 /nfs/dbraw/zinc/29/16/36/788291636.db2.gz LWRYZHNSKUELRQ-HZPDHXFCSA-N 1 3 320.481 2.463 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC2CCC2)C1 ZINC001133178812 788307003 /nfs/dbraw/zinc/30/70/03/788307003.db2.gz XNNPALVCJXNPTP-RDJZCZTQSA-N 1 3 309.498 2.203 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC=C(C)C)C1 ZINC001133253308 788341396 /nfs/dbraw/zinc/34/13/96/788341396.db2.gz FPFXSRODKMJAKK-IAGOWNOFSA-N 1 3 309.498 2.369 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCC(C)C)C1 ZINC001133255994 788341733 /nfs/dbraw/zinc/34/17/33/788341733.db2.gz YXSUWTFGJCPSMH-DLBZAZTESA-N 1 3 311.514 2.449 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]C/C=C\Cl)C1 ZINC001133347537 788377807 /nfs/dbraw/zinc/37/78/07/788377807.db2.gz XOMITWGSUBLWDO-IORUMNFESA-N 1 3 315.889 2.153 20 0 DEADHO CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C ZINC001133347770 788378243 /nfs/dbraw/zinc/37/82/43/788378243.db2.gz ZPQGUZMNELNKLY-IAGOWNOFSA-N 1 3 309.498 2.367 20 0 DEADHO Cc1cccc(C)c1C[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001133416005 788408101 /nfs/dbraw/zinc/40/81/01/788408101.db2.gz YIJQSYDULOOWQO-QGZVFWFLSA-N 1 3 305.466 2.095 20 0 DEADHO Cc1ccc(C)c(C[NH2+]CCNC(=O)CN(C)CC(C)(C)C)c1 ZINC001133896511 788663765 /nfs/dbraw/zinc/66/37/65/788663765.db2.gz LRYKIIJRYGCUNI-UHFFFAOYSA-N 1 3 319.493 2.487 20 0 DEADHO C[C@H](C[C@@H](C)[NH2+]C/C=C/Cl)NC(=O)C1(N(C)C)CCC1 ZINC001134582904 788987653 /nfs/dbraw/zinc/98/76/53/788987653.db2.gz BICOROYGVATREW-BHAGLWOSSA-N 1 3 301.862 2.096 20 0 DEADHO C[C@@H](C[C@H](C)[NH2+]Cc1ccns1)NC(=O)CN(C)C1CCC1 ZINC001134612309 788998524 /nfs/dbraw/zinc/99/85/24/788998524.db2.gz KTPRQTLTKMUGPS-STQMWFEESA-N 1 3 324.494 2.000 20 0 DEADHO C[C@@H](C[C@H](C)[NH2+]Cc1cncs1)NC(=O)CN(C)C1CCC1 ZINC001134613057 788998734 /nfs/dbraw/zinc/99/87/34/788998734.db2.gz RRTMPSOSFBUTNW-STQMWFEESA-N 1 3 324.494 2.000 20 0 DEADHO C[C@H](C[C@H](C)NC(=O)CN(C)C1CCC1)[NH2+]C/C=C/Cl ZINC001134608319 789004110 /nfs/dbraw/zinc/00/41/10/789004110.db2.gz UOFADANMPZHORC-FMQXYTONSA-N 1 3 301.862 2.096 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+]CC1CC(C)(C)C1 ZINC001134766432 789069780 /nfs/dbraw/zinc/06/97/80/789069780.db2.gz IGPJDEVCUUDOMT-INIZCTEOSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1ccccc1C[NH2+]CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001134763301 789069986 /nfs/dbraw/zinc/06/99/86/789069986.db2.gz UFYFHAAISKJWFH-SFHVURJKSA-N 1 3 317.477 2.464 20 0 DEADHO Cc1nc(C)c(CN[C@@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C)o1 ZINC001135314693 789287824 /nfs/dbraw/zinc/28/78/24/789287824.db2.gz FNELZBCDIWPZBD-QWHCGFSZSA-N 1 3 324.469 2.006 20 0 DEADHO CCCCCCN(C)CC(=O)NCC[NH2+]CC1CC(F)(F)C1 ZINC001135436899 789341436 /nfs/dbraw/zinc/34/14/36/789341436.db2.gz FGUXOLVDNUSCCR-UHFFFAOYSA-N 1 3 319.440 2.250 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC(F)(F)F ZINC001135747756 789476736 /nfs/dbraw/zinc/47/67/36/789476736.db2.gz UNXUHVIIPUYCBP-VXGBXAGGSA-N 1 3 311.392 2.154 20 0 DEADHO CC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001136032233 789601047 /nfs/dbraw/zinc/60/10/47/789601047.db2.gz XUINNTBVQMVERU-YOIVVXPQSA-N 1 3 306.454 2.490 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC(F)(F)F ZINC001136031841 789601511 /nfs/dbraw/zinc/60/15/11/789601511.db2.gz RCYYALKSEYVKGJ-ZJUUUORDSA-N 1 3 320.359 2.086 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1 ZINC001136031845 789601622 /nfs/dbraw/zinc/60/16/22/789601622.db2.gz RECFQBKVNXIEND-ZIAGYGMSSA-N 1 3 314.433 2.334 20 0 DEADHO CC(C)=CCN1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071796927 789922882 /nfs/dbraw/zinc/92/28/82/789922882.db2.gz ZPXVUYLOOKSIDZ-DOTOQJQBSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)=CCN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001071994831 790002609 /nfs/dbraw/zinc/00/26/09/790002609.db2.gz HQHIEYMTQWANOG-HOTGVXAUSA-N 1 3 305.466 2.018 20 0 DEADHO CC1CC(C[N@@H+]2CCC3(CN(C(=O)CN(C)C4CCC4)C3)C2)C1 ZINC001072816241 790258419 /nfs/dbraw/zinc/25/84/19/790258419.db2.gz UCNXLIMWPYFBFV-UHFFFAOYSA-N 1 3 319.493 2.051 20 0 DEADHO CC1CC(C[N@H+]2CCC3(CN(C(=O)CN(C)C4CCC4)C3)C2)C1 ZINC001072816241 790258423 /nfs/dbraw/zinc/25/84/23/790258423.db2.gz UCNXLIMWPYFBFV-UHFFFAOYSA-N 1 3 319.493 2.051 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]Cc3ccsc3)[C@@H]2C)C1 ZINC001074878318 791363559 /nfs/dbraw/zinc/36/35/59/791363559.db2.gz NAZZHOZGXMAZJG-YCPHGPKFSA-N 1 3 321.490 2.169 20 0 DEADHO CC1CC(C[NH2+][C@H]2CCN(C(=O)CN3CCC(C)(C)C3)[C@H]2C)C1 ZINC001074885281 791369058 /nfs/dbraw/zinc/36/90/58/791369058.db2.gz UPPUMKYZWZYLNG-XGHPGWEVSA-N 1 3 321.509 2.343 20 0 DEADHO C[C@H]1[C@@H]([NH2+][C@H]2CCc3ccccc32)CCN1C(=O)Cc1c[nH]cn1 ZINC001074918420 791386474 /nfs/dbraw/zinc/38/64/74/791386474.db2.gz OIRQEMZWAWJFOI-KKXDTOCCSA-N 1 3 324.428 2.219 20 0 DEADHO O=C(NCCNCc1ccsc1)C1CC[NH+](CC2CC2)CC1 ZINC001147341306 791510874 /nfs/dbraw/zinc/51/08/74/791510874.db2.gz RJMDARDQVTWEEE-UHFFFAOYSA-N 1 3 321.490 2.076 20 0 DEADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCNCc2cccc(F)c2)C1 ZINC001147822816 791631368 /nfs/dbraw/zinc/63/13/68/791631368.db2.gz AYLUCGUKPQCHBB-WBVHZDCISA-N 1 3 321.440 2.152 20 0 DEADHO CC(C)(C)C(=O)Nc1ccc(CN)nc1NC[C@H]1CCCC[NH2+]1 ZINC001171326941 791720574 /nfs/dbraw/zinc/72/05/74/791720574.db2.gz ACADLLGDMQWMDK-CYBMUJFWSA-N 1 3 319.453 2.079 20 0 DEADHO CC(C)C[N@@H+]1CCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001148321559 791732150 /nfs/dbraw/zinc/73/21/50/791732150.db2.gz YXOLTPTWSIGDMJ-UHFFFAOYSA-N 1 3 309.498 2.155 20 0 DEADHO CC(C)C[N@H+]1CCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001148321559 791732152 /nfs/dbraw/zinc/73/21/52/791732152.db2.gz YXOLTPTWSIGDMJ-UHFFFAOYSA-N 1 3 309.498 2.155 20 0 DEADHO CCCC[N@@H+]1CCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001148315787 791737586 /nfs/dbraw/zinc/73/75/86/791737586.db2.gz ULDGRHSFGYWLLA-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CCCC[N@H+]1CCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001148315787 791737588 /nfs/dbraw/zinc/73/75/88/791737588.db2.gz ULDGRHSFGYWLLA-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+](CCCC1CCC1)C2 ZINC001148469418 791750770 /nfs/dbraw/zinc/75/07/70/791750770.db2.gz JJFZMZHZLAKSHH-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+](CCCC1CCC1)C2 ZINC001148469418 791750778 /nfs/dbraw/zinc/75/07/78/791750778.db2.gz JJFZMZHZLAKSHH-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001148642689 791780338 /nfs/dbraw/zinc/78/03/38/791780338.db2.gz LBIJJPRSIQNLLA-INIZCTEOSA-N 1 3 305.466 2.412 20 0 DEADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@H+](CC1CC(C)(C)C1)C2 ZINC001148845173 791810507 /nfs/dbraw/zinc/81/05/07/791810507.db2.gz WWNHGWWHKPMTBE-UHFFFAOYSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@@H+](CC1CC(C)(C)C1)C2 ZINC001148845173 791810510 /nfs/dbraw/zinc/81/05/10/791810510.db2.gz WWNHGWWHKPMTBE-UHFFFAOYSA-N 1 3 321.509 2.297 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001091985649 791913091 /nfs/dbraw/zinc/91/30/91/791913091.db2.gz CITDQUXZVCTIMI-NUJGCVRESA-N 1 3 309.498 2.153 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001091985649 791913093 /nfs/dbraw/zinc/91/30/93/791913093.db2.gz CITDQUXZVCTIMI-NUJGCVRESA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092010571 791921923 /nfs/dbraw/zinc/92/19/23/791921923.db2.gz HABGCHBNSTZYLF-LMMKCTJWSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)CC[N@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092010571 791921926 /nfs/dbraw/zinc/92/19/26/791921926.db2.gz HABGCHBNSTZYLF-LMMKCTJWSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092012869 791923243 /nfs/dbraw/zinc/92/32/43/791923243.db2.gz DCKLKAUPNGEXOJ-LMMKCTJWSA-N 1 3 321.509 2.155 20 0 DEADHO CC(C)CC[N@H+]1C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092012869 791923247 /nfs/dbraw/zinc/92/32/47/791923247.db2.gz DCKLKAUPNGEXOJ-LMMKCTJWSA-N 1 3 321.509 2.155 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](C(C)C)C[C@@]2(C)C1 ZINC001092302954 791973446 /nfs/dbraw/zinc/97/34/46/791973446.db2.gz JKZWILLZHIQOBA-NUJGCVRESA-N 1 3 307.482 2.050 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](C(C)C)C[C@@]2(C)C1 ZINC001092302954 791973449 /nfs/dbraw/zinc/97/34/49/791973449.db2.gz JKZWILLZHIQOBA-NUJGCVRESA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC[C@H]1C)C2 ZINC001099496340 792223797 /nfs/dbraw/zinc/22/37/97/792223797.db2.gz HMJCNFUBQYWIHT-RYRKJORJSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2)[C@H](C)C1)N(C)C ZINC001093859253 792624361 /nfs/dbraw/zinc/62/43/61/792624361.db2.gz QBNMGGZJTFMWJK-KBAYOESNSA-N 1 3 317.477 2.211 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2)[C@H](C)C1)N(C)C ZINC001094049297 792701589 /nfs/dbraw/zinc/70/15/89/792701589.db2.gz QBNMGGZJTFMWJK-NXHRZFHOSA-N 1 3 317.477 2.211 20 0 DEADHO C[NH+](C)CCCC(=O)NCC1CC(NCC=C(Cl)Cl)C1 ZINC001100620051 792753637 /nfs/dbraw/zinc/75/36/37/792753637.db2.gz UAABXKGZJRIYRM-UHFFFAOYSA-N 1 3 322.280 2.132 20 0 DEADHO CC(C)CCC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001100647403 792767286 /nfs/dbraw/zinc/76/72/86/792767286.db2.gz SFHIYASPARJOCU-OFLPRAFFSA-N 1 3 311.514 2.493 20 0 DEADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]Cc2ccsc2)C1 ZINC001101035914 792977655 /nfs/dbraw/zinc/97/76/55/792977655.db2.gz DUHDYFVSJANSLK-UHFFFAOYSA-N 1 3 309.479 2.073 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](CC=C(C)C)C[C@@]2(C)C1 ZINC001101281843 793098936 /nfs/dbraw/zinc/09/89/36/793098936.db2.gz CXBYGNWLZABAOZ-APWZRJJASA-N 1 3 321.509 2.463 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](CC=C(C)C)C[C@@]2(C)C1 ZINC001101281843 793098942 /nfs/dbraw/zinc/09/89/42/793098942.db2.gz CXBYGNWLZABAOZ-APWZRJJASA-N 1 3 321.509 2.463 20 0 DEADHO c1cncc(CN2CCC(COCC[NH+]3CCCC3)CC2)c1 ZINC001204069169 793129569 /nfs/dbraw/zinc/12/95/69/793129569.db2.gz QBWCDDQDHSOIPA-UHFFFAOYSA-N 1 3 303.450 2.406 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](CCC(C)C)C[C@@]2(C)C1 ZINC001101444015 793163590 /nfs/dbraw/zinc/16/35/90/793163590.db2.gz UDNGQEBSDJSCAS-AEFFLSMTSA-N 1 3 309.498 2.155 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](CCC(C)C)C[C@@]2(C)C1 ZINC001101444015 793163598 /nfs/dbraw/zinc/16/35/98/793163598.db2.gz UDNGQEBSDJSCAS-AEFFLSMTSA-N 1 3 309.498 2.155 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]CC1CCC(F)(F)CC1 ZINC001171762601 793199167 /nfs/dbraw/zinc/19/91/67/793199167.db2.gz HRXCUKMXWFYDTO-UHFFFAOYSA-N 1 3 319.440 2.250 20 0 DEADHO CCC(CO)(CO)N[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967750 793261760 /nfs/dbraw/zinc/26/17/60/793261760.db2.gz BCPVXARUMNKGRD-KRWDZBQOSA-N 1 3 320.477 2.153 20 0 DEADHO CCC(CO)(CO)N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967750 793261763 /nfs/dbraw/zinc/26/17/63/793261763.db2.gz BCPVXARUMNKGRD-KRWDZBQOSA-N 1 3 320.477 2.153 20 0 DEADHO CNC(=O)CCN[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977360 793285895 /nfs/dbraw/zinc/28/58/95/793285895.db2.gz AYBJJEACRNQGQJ-MRXNPFEDSA-N 1 3 303.450 2.155 20 0 DEADHO CNC(=O)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977360 793285905 /nfs/dbraw/zinc/28/59/05/793285905.db2.gz AYBJJEACRNQGQJ-MRXNPFEDSA-N 1 3 303.450 2.155 20 0 DEADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](N3CCOCC3)CC1)C2 ZINC001172112643 793336118 /nfs/dbraw/zinc/33/61/18/793336118.db2.gz YGKNNOYXZKRBIK-LMZXCBKASA-N 1 3 321.509 2.235 20 0 DEADHO O=C1CC[C@H]2C[C@@H]([NH2+]C3CCN(C4CCCC4)CC3)CCN12 ZINC001172166886 793358418 /nfs/dbraw/zinc/35/84/18/793358418.db2.gz VFNDOPBJFKTHAM-RDJZCZTQSA-N 1 3 305.466 2.136 20 0 DEADHO CCOC(=O)CC1([NH3+])CCN([C@@H](C)CCO[C@H](C)CC)CC1 ZINC001172337006 793410521 /nfs/dbraw/zinc/41/05/21/793410521.db2.gz JAILPNAOGWDJGP-LSDHHAIUSA-N 1 3 314.470 2.327 20 0 DEADHO C[C@@H]1C[N@H+](CC2CC2)C[C@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001101974863 793465412 /nfs/dbraw/zinc/46/54/12/793465412.db2.gz UBECIWNVNWELTH-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1C[N@@H+](CC2CC2)C[C@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001101974863 793465415 /nfs/dbraw/zinc/46/54/15/793465415.db2.gz UBECIWNVNWELTH-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)[C@H](C)C1 ZINC001102377697 793595490 /nfs/dbraw/zinc/59/54/90/793595490.db2.gz CZCBVYJZWAZIHV-TXVACFFHSA-N 1 3 309.498 2.367 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)[C@H](C)C1 ZINC001102377697 793595493 /nfs/dbraw/zinc/59/54/93/793595493.db2.gz CZCBVYJZWAZIHV-TXVACFFHSA-N 1 3 309.498 2.367 20 0 DEADHO c1nnn([C@H]2CCC[C@@H]([NH2+]C3CCN(C4CCCC4)CC3)C2)n1 ZINC001173750421 793836173 /nfs/dbraw/zinc/83/61/73/793836173.db2.gz IHCUOOICUNKKBM-WBVHZDCISA-N 1 3 318.469 2.153 20 0 DEADHO CCC(CC)N1CCC([NH2+][C@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173754971 793837392 /nfs/dbraw/zinc/83/73/92/793837392.db2.gz ZZGHZDIJLFNRPF-DOTOQJQBSA-N 1 3 320.485 2.399 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001103085308 793934274 /nfs/dbraw/zinc/93/42/74/793934274.db2.gz PMXLEVCBANSJTI-HZPDHXFCSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001103085308 793934282 /nfs/dbraw/zinc/93/42/82/793934282.db2.gz PMXLEVCBANSJTI-HZPDHXFCSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001103088026 793936140 /nfs/dbraw/zinc/93/61/40/793936140.db2.gz UAUYICKTVJNZFQ-NXHRZFHOSA-N 1 3 321.509 2.367 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001103088026 793936145 /nfs/dbraw/zinc/93/61/45/793936145.db2.gz UAUYICKTVJNZFQ-NXHRZFHOSA-N 1 3 321.509 2.367 20 0 DEADHO C[NH+]1CCN(c2cncc(Nc3ccc4nccn4c3)c2)CC1 ZINC001174277853 793952454 /nfs/dbraw/zinc/95/24/54/793952454.db2.gz DSRYRSQKOAKQLE-UHFFFAOYSA-N 1 3 308.389 2.225 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[N@H+](CCC(C)C)C[C@H]1C ZINC001103678243 794187429 /nfs/dbraw/zinc/18/74/29/794187429.db2.gz IBJKBIQXDKPYFR-GDBMZVCRSA-N 1 3 320.481 2.381 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001103678243 794187436 /nfs/dbraw/zinc/18/74/36/794187436.db2.gz IBJKBIQXDKPYFR-GDBMZVCRSA-N 1 3 320.481 2.381 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1C ZINC001103755848 794213394 /nfs/dbraw/zinc/21/33/94/794213394.db2.gz QFGKMFODGGWULZ-JFOCPDPESA-N 1 3 315.889 2.153 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1C ZINC001103755848 794213400 /nfs/dbraw/zinc/21/34/00/794213400.db2.gz QFGKMFODGGWULZ-JFOCPDPESA-N 1 3 315.889 2.153 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)CCCC[NH2+]CC[C@H](C)F ZINC001175786351 794288710 /nfs/dbraw/zinc/28/87/10/794288710.db2.gz JMWJNZIKDVJESC-GJZGRUSLSA-N 1 3 303.466 2.341 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]CC[C@@H](C)F ZINC001176284461 794389580 /nfs/dbraw/zinc/38/95/80/794389580.db2.gz IAHSIEFDGUCHIG-HUUCEWRRSA-N 1 3 303.466 2.341 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]C[C@@H](CC)OC ZINC001176285251 794391160 /nfs/dbraw/zinc/39/11/60/794391160.db2.gz NYYDCBWTWNINQA-HZPDHXFCSA-N 1 3 315.502 2.018 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[NH2+]CC[C@H]1CCCC1(F)F ZINC001176975684 794545407 /nfs/dbraw/zinc/54/54/07/794545407.db2.gz SYRFUNLGLSMMAS-CQSZACIVSA-N 1 3 319.440 2.248 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001176986850 794548229 /nfs/dbraw/zinc/54/82/29/794548229.db2.gz XCAOMHYZRXKWCA-AWEZNQCLSA-N 1 3 309.429 2.323 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@H]1C ZINC001179550490 795135920 /nfs/dbraw/zinc/13/59/20/795135920.db2.gz XPZLANWZEOCQNO-ZNMIVQPWSA-N 1 3 315.477 2.291 20 0 DEADHO CC[C@H](C[NH2+]CCCCCCNC(=O)[C@H](CC)N(C)C)OC ZINC001179609154 795143036 /nfs/dbraw/zinc/14/30/36/795143036.db2.gz KUWBPRPLLSHMEJ-CVEARBPZSA-N 1 3 315.502 2.018 20 0 DEADHO CC(C)C[C@H](C)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C ZINC001179617501 795144082 /nfs/dbraw/zinc/14/40/82/795144082.db2.gz JAEQMVKFEDYFEG-DZKIICNBSA-N 1 3 306.454 2.213 20 0 DEADHO C[C@@H](F)CC[NH2+]CCCCCCNC(=O)CN1CCC[C@@H]1C ZINC001179580780 795144887 /nfs/dbraw/zinc/14/48/87/795144887.db2.gz PQUMVUQZFJPNLU-CVEARBPZSA-N 1 3 315.477 2.485 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)[C@@H]1C ZINC001179766631 795175562 /nfs/dbraw/zinc/17/55/62/795175562.db2.gz VPAONVZVDGZYLY-HOCLYGCPSA-N 1 3 309.498 2.343 20 0 DEADHO CCN(CC)CC(=O)NCCCCCC[NH2+]C/C=C\Cl ZINC001179851026 795188655 /nfs/dbraw/zinc/18/86/55/795188655.db2.gz RVPGXKTULOQTSW-KTKRTIGZSA-N 1 3 303.878 2.347 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2)[C@@H]1C ZINC001180226764 795260017 /nfs/dbraw/zinc/26/00/17/795260017.db2.gz LCVDFEGJUGMCMM-RDJZCZTQSA-N 1 3 303.450 2.106 20 0 DEADHO CC(C)=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001181755416 795533676 /nfs/dbraw/zinc/53/36/76/795533676.db2.gz QHUDZPMYZQSRJG-HHXXYDBFSA-N 1 3 321.509 2.367 20 0 DEADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CCC3CC3)C2)C1 ZINC001182629913 795715281 /nfs/dbraw/zinc/71/52/81/795715281.db2.gz OOXBKNQIQBFHCW-FRQCXROJSA-N 1 3 321.509 2.203 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCC2)C1 ZINC001182614727 795721788 /nfs/dbraw/zinc/72/17/88/795721788.db2.gz OLXHRKMEZIEKMP-JTDSTZFVSA-N 1 3 321.509 2.345 20 0 DEADHO CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001182741733 795747085 /nfs/dbraw/zinc/74/70/85/795747085.db2.gz SZKVEJPNLKXODQ-CDZANEANSA-N 1 3 318.465 2.383 20 0 DEADHO C[NH+](C)CCOc1ccc(CN2CC(N3CCCCC3)C2)cc1 ZINC001138773187 796273355 /nfs/dbraw/zinc/27/33/55/796273355.db2.gz VENVFUVWIKMJSD-UHFFFAOYSA-N 1 3 317.477 2.297 20 0 DEADHO CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001185659112 796300819 /nfs/dbraw/zinc/30/08/19/796300819.db2.gz DHPGRDIMYVFOLS-JOGGYFKDSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)(C)CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001185676354 796308193 /nfs/dbraw/zinc/30/81/93/796308193.db2.gz WCALMNMWFRKFFU-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO C[NH+]1CCC(CN2CCN(Cc3cc(Cl)ccn3)CC2)CC1 ZINC001139564957 796395962 /nfs/dbraw/zinc/39/59/62/796395962.db2.gz JNTGPIWGHSTYCN-UHFFFAOYSA-N 1 3 322.884 2.194 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001186452824 796403210 /nfs/dbraw/zinc/40/32/10/796403210.db2.gz STJHLEZYNCYMEP-GOSISDBHSA-N 1 3 317.477 2.336 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC[C@H](C)F)C1 ZINC001186420075 796404501 /nfs/dbraw/zinc/40/45/01/796404501.db2.gz IEBIJSZXTSIHNV-JKSUJKDBSA-N 1 3 315.477 2.437 20 0 DEADHO CCN(CC)CC(=O)N1CCC([NH2+]CC2=CCCCC2)CC1 ZINC001203006194 796483791 /nfs/dbraw/zinc/48/37/91/796483791.db2.gz WCSXAFXDQQLTJR-UHFFFAOYSA-N 1 3 307.482 2.409 20 0 DEADHO CCN1C[C@H]2C[NH+](Cc3ccccc3-c3cnc(N)nc3)C[C@@H]2C1 ZINC001140328244 796508442 /nfs/dbraw/zinc/50/84/42/796508442.db2.gz YOKRKECMNIZRLR-IRXDYDNUSA-N 1 3 323.444 2.109 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001187322167 796517304 /nfs/dbraw/zinc/51/73/04/796517304.db2.gz MBHIPXAOJKNDPS-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2cccc(F)c2)C1 ZINC001187298689 796519990 /nfs/dbraw/zinc/51/99/90/796519990.db2.gz KZCZPXVBSIGAEK-QGZVFWFLSA-N 1 3 321.440 2.248 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2cccc(F)c2)C1 ZINC001187298689 796519994 /nfs/dbraw/zinc/51/99/94/796519994.db2.gz KZCZPXVBSIGAEK-QGZVFWFLSA-N 1 3 321.440 2.248 20 0 DEADHO COC(=O)CC[N@H+](CCCN(C)C)Cc1cc(C)c(O)c(C)c1 ZINC001140658793 796550934 /nfs/dbraw/zinc/55/09/34/796550934.db2.gz WRTHBEHUHYRJSO-UHFFFAOYSA-N 1 3 322.449 2.326 20 0 DEADHO COC(=O)CC[N@@H+](CCCN(C)C)Cc1cc(C)c(O)c(C)c1 ZINC001140658793 796550935 /nfs/dbraw/zinc/55/09/35/796550935.db2.gz WRTHBEHUHYRJSO-UHFFFAOYSA-N 1 3 322.449 2.326 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]CC(C)C)C12CCC2 ZINC001203100891 796647367 /nfs/dbraw/zinc/64/73/67/796647367.db2.gz BGYWGXOMINIHEG-GJZGRUSLSA-N 1 3 309.498 2.390 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CC1CC2(CCC2)C1 ZINC001161226723 796817579 /nfs/dbraw/zinc/81/75/79/796817579.db2.gz NKDLTUAHVGVOPY-UHFFFAOYSA-N 1 3 309.498 2.393 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CCCC2CCC2)C1 ZINC001189400872 796823158 /nfs/dbraw/zinc/82/31/58/796823158.db2.gz POUUKQABWYWYRQ-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001189400872 796823159 /nfs/dbraw/zinc/82/31/59/796823159.db2.gz POUUKQABWYWYRQ-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cc(F)ccc1C ZINC001152444929 797188870 /nfs/dbraw/zinc/18/88/70/797188870.db2.gz CCBUZWHFFGCPCC-KRWDZBQOSA-N 1 3 321.440 2.214 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1csc(C)c1 ZINC001152458206 797191020 /nfs/dbraw/zinc/19/10/20/797191020.db2.gz MWSCLRTUBQYNDM-OAHLLOKOSA-N 1 3 309.479 2.137 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]CCC1=CCCCC1 ZINC001152457028 797191074 /nfs/dbraw/zinc/19/10/74/797191074.db2.gz ABUKQTSMSOBRCQ-QGZVFWFLSA-N 1 3 307.482 2.457 20 0 DEADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)c(C)s1 ZINC001192152331 797328128 /nfs/dbraw/zinc/32/81/28/797328128.db2.gz FVQWLLFGWFFFOU-MRXNPFEDSA-N 1 3 323.506 2.349 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)CCC(C)(C)C)C1 ZINC001192343441 797366963 /nfs/dbraw/zinc/36/69/63/797366963.db2.gz OXPYEARPVZNXJR-JKSUJKDBSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001192343441 797366969 /nfs/dbraw/zinc/36/69/69/797366969.db2.gz OXPYEARPVZNXJR-JKSUJKDBSA-N 1 3 309.498 2.440 20 0 DEADHO CC[N@H+](CC1CCCC1)[C@H](C)CNC(=O)[C@@H](C1CC1)N(C)C ZINC001153824043 797404360 /nfs/dbraw/zinc/40/43/60/797404360.db2.gz IIXABNZKAQYAHM-RHSMWYFYSA-N 1 3 309.498 2.343 20 0 DEADHO CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)[C@@H](C1CC1)N(C)C ZINC001153824043 797404366 /nfs/dbraw/zinc/40/43/66/797404366.db2.gz IIXABNZKAQYAHM-RHSMWYFYSA-N 1 3 309.498 2.343 20 0 DEADHO CC[N@H+](CC[C@H](C)F)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001153829019 797405931 /nfs/dbraw/zinc/40/59/31/797405931.db2.gz YAALCHKHWUJYFR-UONOGXRCSA-N 1 3 301.450 2.045 20 0 DEADHO CC[N@@H+](CC[C@H](C)F)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001153829019 797405934 /nfs/dbraw/zinc/40/59/34/797405934.db2.gz YAALCHKHWUJYFR-UONOGXRCSA-N 1 3 301.450 2.045 20 0 DEADHO Cc1ccccc1C[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194283445 797709402 /nfs/dbraw/zinc/70/94/02/797709402.db2.gz AZIQZCCCKFBBTK-SFHVURJKSA-N 1 3 317.477 2.368 20 0 DEADHO Cc1ccccc1C[N@H+](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194283445 797709405 /nfs/dbraw/zinc/70/94/05/797709405.db2.gz AZIQZCCCKFBBTK-SFHVURJKSA-N 1 3 317.477 2.368 20 0 DEADHO CC[N@H+](CC1CCCC1)[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001155237725 797714330 /nfs/dbraw/zinc/71/43/30/797714330.db2.gz GXPRLWLLCVCHJK-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001155237725 797714332 /nfs/dbraw/zinc/71/43/32/797714332.db2.gz GXPRLWLLCVCHJK-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001155237800 797714660 /nfs/dbraw/zinc/71/46/60/797714660.db2.gz KPWCZMHMRDOPOS-RHSMWYFYSA-N 1 3 315.477 2.436 20 0 DEADHO CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001155237800 797714666 /nfs/dbraw/zinc/71/46/66/797714666.db2.gz KPWCZMHMRDOPOS-RHSMWYFYSA-N 1 3 315.477 2.436 20 0 DEADHO C[NH+]1CCC(C(=O)N2CCCN(CCCCCF)CC2)CC1 ZINC001197022953 798140421 /nfs/dbraw/zinc/14/04/21/798140421.db2.gz ZVMXKIRERHMPKA-UHFFFAOYSA-N 1 3 313.461 2.002 20 0 DEADHO CCC[NH+]1C[C@H]2CN(c3ncccc3CN3CCCC3)C[C@@H]2C1 ZINC001157698189 798261243 /nfs/dbraw/zinc/26/12/43/798261243.db2.gz DODKJEXBEJZIFJ-ROUUACIJSA-N 1 3 314.477 2.455 20 0 DEADHO Cc1nc(C(C)C)ccc1C[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152439136 798317224 /nfs/dbraw/zinc/31/72/24/798317224.db2.gz ACPURLSBFFMOMT-UHFFFAOYSA-N 1 3 320.481 2.059 20 0 DEADHO CN1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CC2CCCC2)CC1 ZINC001159580888 798583517 /nfs/dbraw/zinc/58/35/17/798583517.db2.gz DSUMYBFAEMEQPX-SFHVURJKSA-N 1 3 319.493 2.409 20 0 DEADHO CN1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC2CCCC2)CC1 ZINC001159580888 798583522 /nfs/dbraw/zinc/58/35/22/798583522.db2.gz DSUMYBFAEMEQPX-SFHVURJKSA-N 1 3 319.493 2.409 20 0 DEADHO CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001159628900 798590817 /nfs/dbraw/zinc/59/08/17/798590817.db2.gz QLILDSCBQAEROS-RDJZCZTQSA-N 1 3 307.482 2.265 20 0 DEADHO CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001159628900 798590820 /nfs/dbraw/zinc/59/08/20/798590820.db2.gz QLILDSCBQAEROS-RDJZCZTQSA-N 1 3 307.482 2.265 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159854756 798618774 /nfs/dbraw/zinc/61/87/74/798618774.db2.gz SIHPQMXTFXYUEU-UHFFFAOYSA-N 1 3 321.440 2.214 20 0 DEADHO CN(C)C1(C(=O)NCCC[NH2+]CC2CC3(CCC3)C2)CCC1 ZINC001159861334 798619239 /nfs/dbraw/zinc/61/92/39/798619239.db2.gz MWXCXMGYWLLMPB-UHFFFAOYSA-N 1 3 307.482 2.147 20 0 DEADHO CN(C)[C@H](C(=O)NCCC[NH2+]Cc1cccc(Cl)c1)C1CC1 ZINC001159915672 798625059 /nfs/dbraw/zinc/62/50/59/798625059.db2.gz LSQYYQPLWRHJNI-INIZCTEOSA-N 1 3 323.868 2.276 20 0 DEADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CCCC1CCCC1)C1CC1 ZINC001159917480 798626161 /nfs/dbraw/zinc/62/61/61/798626161.db2.gz XFJIHLZWUIDZQY-QGZVFWFLSA-N 1 3 309.498 2.393 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)[C@@H](C2CC2)N(C)C)c1 ZINC001159931770 798627923 /nfs/dbraw/zinc/62/79/23/798627923.db2.gz HTQDSJIUKLLHGF-CRAIPNDOSA-N 1 3 317.477 2.492 20 0 DEADHO CN(CC(=O)NCCC1=CC[N@H+](CC2CCC2)CC1)C1CCC1 ZINC001160380232 798681609 /nfs/dbraw/zinc/68/16/09/798681609.db2.gz VRVKZEQUOONLSI-UHFFFAOYSA-N 1 3 319.493 2.409 20 0 DEADHO CN(CC(=O)NCCC1=CC[N@@H+](CC2CCC2)CC1)C1CCC1 ZINC001160380232 798681613 /nfs/dbraw/zinc/68/16/13/798681613.db2.gz VRVKZEQUOONLSI-UHFFFAOYSA-N 1 3 319.493 2.409 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C)cc1F ZINC001160428284 798687262 /nfs/dbraw/zinc/68/72/62/798687262.db2.gz YRERDOQHWMGYNY-KRWDZBQOSA-N 1 3 323.456 2.316 20 0 DEADHO [NH3+]Cc1cccc2ccn(-c3nc(Cl)nc4c3CCNC4)c21 ZINC001160454360 798690822 /nfs/dbraw/zinc/69/08/22/798690822.db2.gz XXPCVMFPVABJOT-UHFFFAOYSA-N 1 3 313.792 2.178 20 0 DEADHO CC/C=C/CC[NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001201066922 798707377 /nfs/dbraw/zinc/70/73/77/798707377.db2.gz TYMJNCUVMYYCGI-SNAWJCMRSA-N 1 3 307.482 2.408 20 0 DEADHO CN(CC(=O)N1CCC([NH2+]CCC(F)(F)F)CC1)C1CCC1 ZINC001201067148 798707461 /nfs/dbraw/zinc/70/74/61/798707461.db2.gz YCCAOCSBVWUWAR-UHFFFAOYSA-N 1 3 321.387 2.004 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001160883874 798755395 /nfs/dbraw/zinc/75/53/95/798755395.db2.gz XKSWOSNGIHCZKH-MRXNPFEDSA-N 1 3 309.429 2.070 20 0 DEADHO CCc1ccc(CC[NH2+]CCCNC(=O)[C@@H](CC)N(C)C)cc1 ZINC001160889514 798755951 /nfs/dbraw/zinc/75/59/51/798755951.db2.gz LNMGHFZGXWSLJO-GOSISDBHSA-N 1 3 319.493 2.228 20 0 DEADHO CC[C@@H](C)CN1CCC([NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC001201508186 798763021 /nfs/dbraw/zinc/76/30/21/798763021.db2.gz CGDOEJIXTRMHOS-OAHLLOKOSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)N(C(=O)[C@@H](N)CSCC[NH3+])[C@@H](C)c1ccccc1 ZINC001161443288 798860360 /nfs/dbraw/zinc/86/03/60/798860360.db2.gz OZDQDWMSZWAMPW-ZFWWWQNUSA-N 1 3 309.479 2.004 20 0 DEADHO CC(C)N(C(=O)[C@H](N)C1CC[NH2+]CC1)[C@@H](C)c1ccccc1 ZINC001161443382 798860704 /nfs/dbraw/zinc/86/07/04/798860704.db2.gz RRLRPVOXWHEITP-WMLDXEAASA-N 1 3 303.450 2.312 20 0 DEADHO CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001161785368 798936072 /nfs/dbraw/zinc/93/60/72/798936072.db2.gz OIUUCSDYAPEXLG-CQSZACIVSA-N 1 3 318.465 2.445 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001161785368 798936074 /nfs/dbraw/zinc/93/60/74/798936074.db2.gz OIUUCSDYAPEXLG-CQSZACIVSA-N 1 3 318.465 2.445 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(C)C1 ZINC001110738732 799001984 /nfs/dbraw/zinc/00/19/84/799001984.db2.gz QPZTVGAGHCBVPS-YWWDTZIBSA-N 1 3 321.509 2.484 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(C)C1 ZINC001110738732 799001992 /nfs/dbraw/zinc/00/19/92/799001992.db2.gz QPZTVGAGHCBVPS-YWWDTZIBSA-N 1 3 321.509 2.484 20 0 DEADHO C[NH+](C)Cc1ccc(Br)c(-n2cnc(CN)c2)c1 ZINC001162304522 799056646 /nfs/dbraw/zinc/05/66/46/799056646.db2.gz KLLQTGMCOYJGCQ-UHFFFAOYSA-N 1 3 309.211 2.155 20 0 DEADHO CC(C)[C@@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000878205343 799202794 /nfs/dbraw/zinc/20/27/94/799202794.db2.gz LQLDRYVHWACXRI-GOSISDBHSA-N 1 3 321.440 2.323 20 0 DEADHO CN(C)Cc1ccc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)nc1 ZINC001162957546 799207915 /nfs/dbraw/zinc/20/79/15/799207915.db2.gz NNHJNRJHEVAJMR-INIZCTEOSA-N 1 3 318.465 2.104 20 0 DEADHO [NH3+]C1CCN(c2cccc(NCc3ccc4nccn4c3)n2)CC1 ZINC001163139091 799259496 /nfs/dbraw/zinc/25/94/96/799259496.db2.gz IDJVSLLXHCBIFH-UHFFFAOYSA-N 1 3 322.416 2.269 20 0 DEADHO c1cc(CN2CCCCC2)cc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC001163261440 799290447 /nfs/dbraw/zinc/29/04/47/799290447.db2.gz WNVLWHRTFYJFFG-IKGGRYGDSA-N 1 3 300.450 2.477 20 0 DEADHO NCc1cc(NC2CC[NH+](C[C@H]3CC=CCC3)CC2)ncn1 ZINC001163315136 799308817 /nfs/dbraw/zinc/30/88/17/799308817.db2.gz KGOCHDGSPSIYQG-AWEZNQCLSA-N 1 3 301.438 2.168 20 0 DEADHO CCC/C=C/CC[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001202668185 799354762 /nfs/dbraw/zinc/35/47/62/799354762.db2.gz RGTVHLUXSOPELZ-SNAWJCMRSA-N 1 3 304.438 2.279 20 0 DEADHO Cc1cnc(NCC2(N(C)C)CC[NH+](C)CC2)c2[nH]ccc21 ZINC001164211114 799539067 /nfs/dbraw/zinc/53/90/67/799539067.db2.gz MCQSIFXATWYKJK-UHFFFAOYSA-N 1 3 301.438 2.309 20 0 DEADHO CN(C)C1(CNc2ccc3c(c2)OCCCO3)CC[NH+](C)CC1 ZINC001164213604 799540130 /nfs/dbraw/zinc/54/01/30/799540130.db2.gz YHRMKBIQJLJCRT-UHFFFAOYSA-N 1 3 319.449 2.286 20 0 DEADHO CN(C)Cc1ccnc(N2CC[NH2+][C@@H](Cc3ccccc3)C2)c1 ZINC001164626377 799635703 /nfs/dbraw/zinc/63/57/03/799635703.db2.gz LOPGZSSBRCIOPX-SFHVURJKSA-N 1 3 310.445 2.164 20 0 DEADHO C[C@H](NCCCNC(=O)CC[NH+](C)C)c1c(F)cccc1F ZINC001165801139 799776672 /nfs/dbraw/zinc/77/66/72/799776672.db2.gz OKHFRYSFEUSRHD-LBPRGKRZSA-N 1 3 313.392 2.073 20 0 DEADHO CC(C)[C@H](C(=O)NCCC[NH2+][C@H](C)c1ccccc1)N(C)C ZINC001166010664 799812097 /nfs/dbraw/zinc/81/20/97/799812097.db2.gz RLPDRVXKHPDKRR-NVXWUHKLSA-N 1 3 305.466 2.430 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)CN2CCC[C@@H]2C)cc1F ZINC001166626972 799904424 /nfs/dbraw/zinc/90/44/24/799904424.db2.gz NFSVWQXLGOXEMF-HNNXBMFYSA-N 1 3 321.440 2.214 20 0 DEADHO CCC/C=C/CC[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203709293 800110047 /nfs/dbraw/zinc/11/00/47/800110047.db2.gz QIRIZPBFHFMFQZ-SNAWJCMRSA-N 1 3 307.482 2.409 20 0 DEADHO C[C@@]1([NH3+])CCCN(Cc2ccccc2N2CCC(O)CC2)CC1 ZINC001205274298 800335687 /nfs/dbraw/zinc/33/56/87/800335687.db2.gz UWZGSWHEHFGYBH-LJQANCHMSA-N 1 3 317.477 2.351 20 0 DEADHO CN(C)C1(C(=O)N2CCC(C[NH2+]CCC3CC3)CC2)CCC1 ZINC001205457641 800358729 /nfs/dbraw/zinc/35/87/29/800358729.db2.gz IJXZXCDNKJRCRD-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H]1CC[C@@H](CN)[N@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC001205807033 800424250 /nfs/dbraw/zinc/42/42/50/800424250.db2.gz XJJCWDXNWUTGSM-LPHOPBHVSA-N 1 3 317.477 2.078 20 0 DEADHO C[C@H]1CC[C@@H](CN)[N@@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC001205807033 800424254 /nfs/dbraw/zinc/42/42/54/800424254.db2.gz XJJCWDXNWUTGSM-LPHOPBHVSA-N 1 3 317.477 2.078 20 0 DEADHO CNc1nc(SC)ncc1CN1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206002815 800456962 /nfs/dbraw/zinc/45/69/62/800456962.db2.gz BNSCGUUSPHYQFY-RYUDHWBXSA-N 1 3 309.483 2.047 20 0 DEADHO COc1ccc2[nH]c(CN3CCC[C@H](C[NH3+])[C@@H](C)C3)nc2c1 ZINC001206036507 800462825 /nfs/dbraw/zinc/46/28/25/800462825.db2.gz KJAZWHGGBCKTGS-QWHCGFSZSA-N 1 3 302.422 2.378 20 0 DEADHO [NH3+][C@H]1CCN(Cc2cccc(-c3cncnc3)c2)CC[C@H]1F ZINC001206163983 800482406 /nfs/dbraw/zinc/48/24/06/800482406.db2.gz IKPRVVVDLXYLGD-SJORKVTESA-N 1 3 300.381 2.405 20 0 DEADHO [NH3+][C@H]1CCN(Cc2ccc(-c3cnccn3)cc2)CC[C@@H]1F ZINC001206176329 800485670 /nfs/dbraw/zinc/48/56/70/800485670.db2.gz ZFQXXGXADALLMF-HOTGVXAUSA-N 1 3 300.381 2.405 20 0 DEADHO C[NH+](C)CCn1cc(-c2cncc(CN3CCCCC3)c2)cn1 ZINC001206360013 800517877 /nfs/dbraw/zinc/51/78/77/800517877.db2.gz ZDKHNCWORIBHAE-UHFFFAOYSA-N 1 3 313.449 2.493 20 0 DEADHO CC(C)(C)c1[nH]c2ccccc2c1CN1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206520233 800547639 /nfs/dbraw/zinc/54/76/39/800547639.db2.gz RCOOKFGJKRGOQG-LRDDRELGSA-N 1 3 301.434 2.217 20 0 DEADHO C[C@@]1(C[NH3+])CCCCN(Cc2ccccc2N2CCOCC2)C1 ZINC001206556631 800554558 /nfs/dbraw/zinc/55/45/58/800554558.db2.gz UDGOWTPRQWSMPX-IBGZPJMESA-N 1 3 317.477 2.474 20 0 DEADHO CN1CC2(C1)CC[NH+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)CC2 ZINC001207216544 800711743 /nfs/dbraw/zinc/71/17/43/800711743.db2.gz QDWNVLJKBNELGC-HNNXBMFYSA-N 1 3 323.481 2.271 20 0 DEADHO C[NH+]1CCC(C)(CN2CC3(C2)CN(c2ccccc2)C3=O)CC1 ZINC001208114599 800915122 /nfs/dbraw/zinc/91/51/22/800915122.db2.gz ZNMQSVUJASAGHA-UHFFFAOYSA-N 1 3 313.445 2.067 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCC(F)(F)F)C1)N(C)C ZINC001208373311 800969287 /nfs/dbraw/zinc/96/92/87/800969287.db2.gz HXUYZTPNVMHXIW-STQMWFEESA-N 1 3 323.403 2.106 20 0 DEADHO C[N@@H+]1CCC[C@H](CN2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001208606444 801027726 /nfs/dbraw/zinc/02/77/26/801027726.db2.gz GEDXAAGTGSXRQC-HNNXBMFYSA-N 1 3 323.481 2.271 20 0 DEADHO C[N@H+]1CCC[C@H](CN2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001208606444 801027729 /nfs/dbraw/zinc/02/77/29/801027729.db2.gz GEDXAAGTGSXRQC-HNNXBMFYSA-N 1 3 323.481 2.271 20 0 DEADHO C[N@@H+]1CCC[C@@H](CN2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)C1 ZINC001208611993 801033029 /nfs/dbraw/zinc/03/30/29/801033029.db2.gz ZNMFXGYPIKXEHR-CEXWTWQISA-N 1 3 322.493 2.378 20 0 DEADHO C[N@H+]1CCC[C@@H](CN2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)C1 ZINC001208611993 801033033 /nfs/dbraw/zinc/03/30/33/801033033.db2.gz ZNMFXGYPIKXEHR-CEXWTWQISA-N 1 3 322.493 2.378 20 0 DEADHO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C[C@@H]3CCC[N@@H+](C)C3)O2)n1 ZINC001208614768 801035559 /nfs/dbraw/zinc/03/55/59/801035559.db2.gz UMRJPHVZHUDAKR-FPCVCCKLSA-N 1 3 320.437 2.014 20 0 DEADHO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C[C@@H]3CCC[N@H+](C)C3)O2)n1 ZINC001208614768 801035564 /nfs/dbraw/zinc/03/55/64/801035564.db2.gz UMRJPHVZHUDAKR-FPCVCCKLSA-N 1 3 320.437 2.014 20 0 DEADHO COC(=O)[C@H](C)CN1C[C@@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001208713434 801052081 /nfs/dbraw/zinc/05/20/81/801052081.db2.gz PQEVZXJYGLYTRQ-NXHRZFHOSA-N 1 3 316.445 2.168 20 0 DEADHO COC(=O)[C@H](C)CN1C[C@@H]2C[N@H+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001208713434 801052086 /nfs/dbraw/zinc/05/20/86/801052086.db2.gz PQEVZXJYGLYTRQ-NXHRZFHOSA-N 1 3 316.445 2.168 20 0 DEADHO C[NH+](C)CC1(C(=O)N2CCC[C@H](NCCF)C2)CCCCC1 ZINC001208747502 801062191 /nfs/dbraw/zinc/06/21/91/801062191.db2.gz CATQUPPJOJOXQV-HNNXBMFYSA-N 1 3 313.461 2.049 20 0 DEADHO CC(C)Oc1ncccc1CCN1CC2(C1)CC[NH+](C)CC2 ZINC001208800395 801072273 /nfs/dbraw/zinc/07/22/73/801072273.db2.gz QYFAEGIRQFXUJJ-UHFFFAOYSA-N 1 3 303.450 2.439 20 0 DEADHO COCOCCCN1C[C@H]2C[C@@H](C1)C[N@@H+](Cc1ccco1)C2 ZINC001209025534 801114091 /nfs/dbraw/zinc/11/40/91/801114091.db2.gz GBAQTXUJXHCAPZ-IYBDPMFKSA-N 1 3 308.422 2.044 20 0 DEADHO COCOCCCN1C[C@H]2C[C@@H](C1)C[N@H+](Cc1ccco1)C2 ZINC001209025534 801114095 /nfs/dbraw/zinc/11/40/95/801114095.db2.gz GBAQTXUJXHCAPZ-IYBDPMFKSA-N 1 3 308.422 2.044 20 0 DEADHO COCC[NH+]1CCC2(C[C@@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001209211362 801152721 /nfs/dbraw/zinc/15/27/21/801152721.db2.gz YOYIMZMBOXENBH-GOSISDBHSA-N 1 3 318.461 2.388 20 0 DEADHO C[NH+](C)CCCC(=O)N1CCC[C@H](NCC=C(Cl)Cl)C1 ZINC001209323262 801170025 /nfs/dbraw/zinc/17/00/25/801170025.db2.gz GLYQZUMJCRGVGN-LBPRGKRZSA-N 1 3 322.280 2.228 20 0 DEADHO C[C@H]1CCN(CC(=O)NC2CC[NH+](CCCCCF)CC2)C1 ZINC001229185943 801239099 /nfs/dbraw/zinc/23/90/99/801239099.db2.gz QQDXYKBHRHSOPH-HNNXBMFYSA-N 1 3 313.461 2.049 20 0 DEADHO CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001209640348 801243666 /nfs/dbraw/zinc/24/36/66/801243666.db2.gz AYFLPLWVZLEFFC-ADDHZHGLSA-N 1 3 307.482 2.265 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001209643357 801244500 /nfs/dbraw/zinc/24/45/00/801244500.db2.gz SAOFQLQWGYDQIW-FUHWJXTLSA-N 1 3 321.509 2.489 20 0 DEADHO CCCCCC[NH2+][C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001209643739 801244913 /nfs/dbraw/zinc/24/49/13/801244913.db2.gz WGQUNAJVKUCTKB-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209661651 801249165 /nfs/dbraw/zinc/24/91/65/801249165.db2.gz YQMDNHAUPUKUTL-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]([NH2+]C/C=C\Cl)C2)C1 ZINC001209660156 801249179 /nfs/dbraw/zinc/24/91/79/801249179.db2.gz NCQUBZSJLDYPRD-HJHHMULASA-N 1 3 313.873 2.051 20 0 DEADHO CCC/C=C\CC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001209836305 801293511 /nfs/dbraw/zinc/29/35/11/801293511.db2.gz JLISNHMJIRBHIL-XVWMLYKFSA-N 1 3 304.438 2.279 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccc(C)cc2)C[C@H]1C ZINC001210033103 801324051 /nfs/dbraw/zinc/32/40/51/801324051.db2.gz IVADYUZBKIHQJI-SJLPKXTDSA-N 1 3 317.477 2.273 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccc(C)cc2)C[C@H]1C ZINC001210033103 801324059 /nfs/dbraw/zinc/32/40/59/801324059.db2.gz IVADYUZBKIHQJI-SJLPKXTDSA-N 1 3 317.477 2.273 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](F)CC ZINC001229868195 801328818 /nfs/dbraw/zinc/32/88/18/801328818.db2.gz CGIWHTUQSARUSX-RRFJBIMHSA-N 1 3 301.450 2.093 20 0 DEADHO CC[C@@H](F)C[NH2+][C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001210282985 801367274 /nfs/dbraw/zinc/36/72/74/801367274.db2.gz LPNRRRKPFUNAIM-HZPDHXFCSA-N 1 3 313.461 2.047 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001210783338 801462933 /nfs/dbraw/zinc/46/29/33/801462933.db2.gz RVIFPXBRZWUPIJ-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO CC[C@@H](C(=O)NCCC[N@H+](Cc1cccnc1)C(C)C)N(C)C ZINC001230849815 801511463 /nfs/dbraw/zinc/51/14/63/801511463.db2.gz XJHJEPKXAJTYAM-KRWDZBQOSA-N 1 3 320.481 2.139 20 0 DEADHO CC[C@@H](C(=O)NCCC[N@@H+](Cc1cccnc1)C(C)C)N(C)C ZINC001230849815 801511465 /nfs/dbraw/zinc/51/14/65/801511465.db2.gz XJHJEPKXAJTYAM-KRWDZBQOSA-N 1 3 320.481 2.139 20 0 DEADHO CC/C=C/CC[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001330656818 1149235434 /nfs/dbraw/zinc/23/54/34/1149235434.db2.gz UIACITNGSIWGSE-PLFMJXSHSA-N 1 3 307.482 2.169 20 0 DEADHO CC/C=C\CC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001214860894 801768413 /nfs/dbraw/zinc/76/84/13/801768413.db2.gz ATLFQSJHAZMFEE-BZOVTKSESA-N 1 3 307.482 2.264 20 0 DEADHO COC(=O)[C@]1(C)CCN(Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232152258 801801570 /nfs/dbraw/zinc/80/15/70/801801570.db2.gz WCIGZCVFFSVOIP-QGZVFWFLSA-N 1 3 308.397 2.272 20 0 DEADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCc1ccccc1F ZINC001215421594 801859015 /nfs/dbraw/zinc/85/90/15/801859015.db2.gz HSHSSIKJKOMSIC-RHSMWYFYSA-N 1 3 321.440 2.104 20 0 DEADHO CN1CCN(C2CC[NH+](Cc3ccc4ncoc4c3)CC2)CC1 ZINC001232942458 801987889 /nfs/dbraw/zinc/98/78/89/801987889.db2.gz YXSXKXKJTQFPSL-UHFFFAOYSA-N 1 3 314.433 2.040 20 0 DEADHO CCOC(=O)c1ccnc(CN2CCC3(C2)CC[NH+](C)CC3)c1 ZINC001233326441 802078019 /nfs/dbraw/zinc/07/80/19/802078019.db2.gz CZTBIJXUNLMRSD-UHFFFAOYSA-N 1 3 317.433 2.176 20 0 DEADHO Nc1cn(C(=O)C[C@@H](N)c2ccc(C(F)(F)F)cc2)ccc1=[NH2+] ZINC001218694196 802228259 /nfs/dbraw/zinc/22/82/59/802228259.db2.gz UANDRDNKAYQZKR-GFCCVEGCSA-N 1 3 324.306 2.299 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc(C(F)F)cn1 ZINC001218792276 802240248 /nfs/dbraw/zinc/24/02/48/802240248.db2.gz WEFMFPYEYARDIU-NSHDSACASA-N 1 3 300.353 2.017 20 0 DEADHO CC/C=C\CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001234344737 802358217 /nfs/dbraw/zinc/35/82/17/802358217.db2.gz CCOLKVGWJJOSLU-IFOCYFHOSA-N 1 3 319.493 2.217 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)NCC(C)(C)c1ccccc1 ZINC001219984755 802398488 /nfs/dbraw/zinc/39/84/88/802398488.db2.gz WWVGGWRCWBRFRH-INIZCTEOSA-N 1 3 305.466 2.140 20 0 DEADHO Cc1cccnc1[C@@H](NC(=O)[C@@H](N)CCCC[NH+](C)C)C1CC1 ZINC001220256714 802434814 /nfs/dbraw/zinc/43/48/14/802434814.db2.gz CBKFPTXOTFVOEL-RDJZCZTQSA-N 1 3 318.465 2.017 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC(C)(C)C1 ZINC001220289270 802439350 /nfs/dbraw/zinc/43/93/50/802439350.db2.gz YCIBWBRMNUJHJY-ILXRZTDVSA-N 1 3 307.482 2.192 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CC(C)(C)C1 ZINC001220289270 802439352 /nfs/dbraw/zinc/43/93/52/802439352.db2.gz YCIBWBRMNUJHJY-ILXRZTDVSA-N 1 3 307.482 2.192 20 0 DEADHO CCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](F)CN(CC)CC ZINC001234643045 802439997 /nfs/dbraw/zinc/43/99/97/802439997.db2.gz LRCJBYOFQNTLBQ-HOTGVXAUSA-N 1 3 315.477 2.389 20 0 DEADHO CCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](F)CN(CC)CC ZINC001234643045 802439999 /nfs/dbraw/zinc/43/99/99/802439999.db2.gz LRCJBYOFQNTLBQ-HOTGVXAUSA-N 1 3 315.477 2.389 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)c2ccccc21 ZINC001220333957 802445662 /nfs/dbraw/zinc/44/56/62/802445662.db2.gz YQQYIATYAQRIAZ-XOKHGSTOSA-N 1 3 313.445 2.225 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)c2ccccc21 ZINC001220333957 802445670 /nfs/dbraw/zinc/44/56/70/802445670.db2.gz YQQYIATYAQRIAZ-XOKHGSTOSA-N 1 3 313.445 2.225 20 0 DEADHO Cc1ccc(C[C@H](N)C(=O)N[C@@]23CC[C@@]([NH3+])(C2)CCC3)c(C)c1 ZINC001220775100 802495446 /nfs/dbraw/zinc/49/54/46/802495446.db2.gz INNCGWKZMXMADE-UHOSZYNNSA-N 1 3 315.461 2.094 20 0 DEADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220779731 802496731 /nfs/dbraw/zinc/49/67/31/802496731.db2.gz YPQBCNYOILSEHZ-KSZLIROESA-N 1 3 319.424 2.006 20 0 DEADHO CC(C)c1ccc(CCN2CCNC3(CC[NH2+]CC3)C2)cc1 ZINC001222086201 802639246 /nfs/dbraw/zinc/63/92/46/802639246.db2.gz SOGWUNVVKNZOJT-UHFFFAOYSA-N 1 3 301.478 2.380 20 0 DEADHO Cn1cc(CN2CCC(F)(C[NH3+])CC2)c2c1ccnc2Cl ZINC001222553234 802706206 /nfs/dbraw/zinc/70/62/06/802706206.db2.gz PURVIYIEOJKVBH-UHFFFAOYSA-N 1 3 310.804 2.490 20 0 DEADHO CC(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)N(C)C ZINC001226800230 803161581 /nfs/dbraw/zinc/16/15/81/803161581.db2.gz ILKCNTZUUQEAHL-BRWVUGGUSA-N 1 3 309.498 2.390 20 0 DEADHO CC/C=C/CC[NH+]1CCC(NC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001227818613 803284069 /nfs/dbraw/zinc/28/40/69/803284069.db2.gz XNTPERXTDXZGDD-RTRPANQVSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)[C@@H](C(=O)NC1CC[NH+](CC2CC(C)C2)CC1)N(C)C ZINC001227907810 803293122 /nfs/dbraw/zinc/29/31/22/803293122.db2.gz HAKITZUVBKLHRW-DQPZFDDXSA-N 1 3 309.498 2.199 20 0 DEADHO C[C@H](CCC[NH2+]Cc1cncs1)NC(=O)C1(N(C)C)CCC1 ZINC001330837137 1149311535 /nfs/dbraw/zinc/31/15/35/1149311535.db2.gz UOJDENINXGISKP-CYBMUJFWSA-N 1 3 324.494 2.002 20 0 DEADHO OCCCOCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC001334327895 1150271174 /nfs/dbraw/zinc/27/11/74/1150271174.db2.gz VVTVUECVHVBDNA-OTWHNJEPSA-N 1 3 318.461 2.028 20 0 DEADHO OCCCOCCN[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC001334327895 1150271177 /nfs/dbraw/zinc/27/11/77/1150271177.db2.gz VVTVUECVHVBDNA-OTWHNJEPSA-N 1 3 318.461 2.028 20 0 DEADHO OCCCOCCN[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC001334327895 1150271182 /nfs/dbraw/zinc/27/11/82/1150271182.db2.gz VVTVUECVHVBDNA-OTWHNJEPSA-N 1 3 318.461 2.028 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2csc(C)c2)C1)N(C)C ZINC001418639046 1167858067 /nfs/dbraw/zinc/85/80/67/1167858067.db2.gz FWYIHGRKNCORGI-VNQPRFMTSA-N 1 3 323.506 2.381 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001419632008 1168711752 /nfs/dbraw/zinc/71/17/52/1168711752.db2.gz OONZIFBBLDCRJR-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001419632008 1168711762 /nfs/dbraw/zinc/71/17/62/1168711762.db2.gz OONZIFBBLDCRJR-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H](C)[NH2+]Cc1ccsc1 ZINC001424805665 1173945207 /nfs/dbraw/zinc/94/52/07/1173945207.db2.gz VFCUKQSJYXQJQU-CHWSQXEVSA-N 1 3 309.479 2.215 20 0 DEADHO CC(C)(C)OC(=O)NC[C@H](NC[C@]12C[C@H]1C[NH2+]C2)C(C)(C)C ZINC001575213759 1069393169 /nfs/dbraw/zinc/39/31/69/1069393169.db2.gz AUAKKYWCOJEICO-GDZNZVCISA-N 1 3 311.470 2.125 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+](CCC2CC2)CC1)N(C)C ZINC001368511241 1148472262 /nfs/dbraw/zinc/47/22/62/1148472262.db2.gz IQPUCKLOJCZTRP-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CCC[N@@H+](CCC2CC2)CC1)N(C)C ZINC001368511241 1148472263 /nfs/dbraw/zinc/47/22/63/1148472263.db2.gz IQPUCKLOJCZTRP-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCC2CC2)CC1)N(C)C ZINC001368512664 1148471862 /nfs/dbraw/zinc/47/18/62/1148471862.db2.gz IQPUCKLOJCZTRP-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)CC1)N(C)C ZINC001368512664 1148471865 /nfs/dbraw/zinc/47/18/65/1148471865.db2.gz IQPUCKLOJCZTRP-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CN(CCC[N@H+](C)CC1CC2(CCC2)C1)C(=O)[C@@H]1CCCN1C ZINC001368530789 1148480649 /nfs/dbraw/zinc/48/06/49/1148480649.db2.gz VLSLPMBKFNMSPP-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CN(CCC[N@@H+](C)CC1CC2(CCC2)C1)C(=O)[C@@H]1CCCN1C ZINC001368530789 1148480655 /nfs/dbraw/zinc/48/06/55/1148480655.db2.gz VLSLPMBKFNMSPP-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO Cc1ccc(F)cc1CN(C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001369011965 1148828276 /nfs/dbraw/zinc/82/82/76/1148828276.db2.gz XWRYXVHFIOXMJD-GJZGRUSLSA-N 1 3 321.440 2.022 20 0 DEADHO Cc1ccc(F)cc1CN(C)[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001369011965 1148828277 /nfs/dbraw/zinc/82/82/77/1148828277.db2.gz XWRYXVHFIOXMJD-GJZGRUSLSA-N 1 3 321.440 2.022 20 0 DEADHO CN(CCC[N@H+](C)Cc1ccccc1)C(=O)[C@H]1CCCN1C ZINC001368550450 1148490517 /nfs/dbraw/zinc/49/05/17/1148490517.db2.gz VWBISNSOORFECY-QGZVFWFLSA-N 1 3 303.450 2.061 20 0 DEADHO CN(CCC[N@@H+](C)Cc1ccccc1)C(=O)[C@H]1CCCN1C ZINC001368550450 1148490519 /nfs/dbraw/zinc/49/05/19/1148490519.db2.gz VWBISNSOORFECY-QGZVFWFLSA-N 1 3 303.450 2.061 20 0 DEADHO CC/C=C\CC[NH2+]CC1CC(NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001328915970 1148847706 /nfs/dbraw/zinc/84/77/06/1148847706.db2.gz UIACITNGSIWGSE-BFJBPPDHSA-N 1 3 307.482 2.169 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CCCC(F)(F)F ZINC001453209988 1057237674 /nfs/dbraw/zinc/23/76/74/1057237674.db2.gz IMBZQOKQQXWHKU-LBPRGKRZSA-N 1 3 311.392 2.107 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CCCC(F)(F)F ZINC001453209988 1057237677 /nfs/dbraw/zinc/23/76/77/1057237677.db2.gz IMBZQOKQQXWHKU-LBPRGKRZSA-N 1 3 311.392 2.107 20 0 DEADHO CN1CCC([N@@H+]2CC[C@@H](NCc3csc(C4CC4)n3)C2)CC1 ZINC001461178234 1058600880 /nfs/dbraw/zinc/60/08/80/1058600880.db2.gz DEAFMWIGIMZLBN-CQSZACIVSA-N 1 3 320.506 2.279 20 0 DEADHO CN1CCC([N@H+]2CC[C@@H](NCc3csc(C4CC4)n3)C2)CC1 ZINC001461178234 1058600892 /nfs/dbraw/zinc/60/08/92/1058600892.db2.gz DEAFMWIGIMZLBN-CQSZACIVSA-N 1 3 320.506 2.279 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C/C=C/Cl)C2 ZINC001501007506 1059198293 /nfs/dbraw/zinc/19/82/93/1059198293.db2.gz DRMIVIUGQJULSM-KDKXTZIQSA-N 1 3 313.873 2.050 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2ccsc2)C1 ZINC001501548009 1059540466 /nfs/dbraw/zinc/54/04/66/1059540466.db2.gz ONRDPRQSVVTFBA-GOEBONIOSA-N 1 3 321.490 2.171 20 0 DEADHO CN(CC(=O)N1CC[C@H](CC[NH2+]CCCF)C1)CC(C)(C)C ZINC001501618036 1059576159 /nfs/dbraw/zinc/57/61/59/1059576159.db2.gz HMJUDSUSOBJEMZ-HNNXBMFYSA-N 1 3 315.477 2.152 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1CC(C[NH2+]CCCC(C)C)C1 ZINC001505532952 1060682558 /nfs/dbraw/zinc/68/25/58/1060682558.db2.gz YMHFYQYBGSGPFO-UHFFFAOYSA-N 1 3 306.454 2.181 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CC1CCC1 ZINC001479832251 1061858789 /nfs/dbraw/zinc/85/87/89/1061858789.db2.gz QWCYVDUOEUUWIV-RDJZCZTQSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)=CC[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001480085766 1062300486 /nfs/dbraw/zinc/30/04/86/1062300486.db2.gz SITIBTDVOUWCAW-OAHLLOKOSA-N 1 3 304.438 2.089 20 0 DEADHO CC(C)=CC[N@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001480085766 1062300505 /nfs/dbraw/zinc/30/05/05/1062300505.db2.gz SITIBTDVOUWCAW-OAHLLOKOSA-N 1 3 304.438 2.089 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001480168778 1062418676 /nfs/dbraw/zinc/41/86/76/1062418676.db2.gz XZGSLORSXDPLSE-QAQDUYKDSA-N 1 3 303.450 2.074 20 0 DEADHO CC(C)CC[NH2+]C[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001480295934 1062600717 /nfs/dbraw/zinc/60/07/17/1062600717.db2.gz MXGMFSSHKADKLP-IAGOWNOFSA-N 1 3 309.498 2.203 20 0 DEADHO Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)CN2CC[C@@H](C)C2)cs1 ZINC001507127367 1062882969 /nfs/dbraw/zinc/88/29/69/1062882969.db2.gz PFDYXCFUEWRASK-KGLIPLIRSA-N 1 3 323.506 2.335 20 0 DEADHO C[C@@H](CN(C)C(=O)CCC[NH+]1CCCC1)NC/C=C/Cl ZINC001507161542 1062933050 /nfs/dbraw/zinc/93/30/50/1062933050.db2.gz LYFLLABJYOBWIZ-OWNNVSBGSA-N 1 3 301.862 2.051 20 0 DEADHO CC[C@H](F)CN[C@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001480490305 1062935882 /nfs/dbraw/zinc/93/58/82/1062935882.db2.gz GJRVIPUJKIGWKM-KGLIPLIRSA-N 1 3 315.477 2.482 20 0 DEADHO CC[C@H](F)CN[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001480490305 1062935898 /nfs/dbraw/zinc/93/58/98/1062935898.db2.gz GJRVIPUJKIGWKM-KGLIPLIRSA-N 1 3 315.477 2.482 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCCc1ccccc1 ZINC001480536667 1063000806 /nfs/dbraw/zinc/00/08/06/1063000806.db2.gz JDTGEWMHCAFGFQ-DLBZAZTESA-N 1 3 317.477 2.055 20 0 DEADHO C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)[NH2+]CCC(F)(F)F ZINC001480548623 1063019538 /nfs/dbraw/zinc/01/95/38/1063019538.db2.gz MOGREUVJCOCLPA-STQMWFEESA-N 1 3 323.403 2.298 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCC(F)(F)F ZINC001480549858 1063023116 /nfs/dbraw/zinc/02/31/16/1063023116.db2.gz VERGOICTJGWUPL-CHWSQXEVSA-N 1 3 323.403 2.296 20 0 DEADHO C[C@H](F)CC[NH2+][C@@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001480595485 1063086519 /nfs/dbraw/zinc/08/65/19/1063086519.db2.gz BIKIAFZIPCVPKH-KBPBESRZSA-N 1 3 309.429 2.204 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC001507325424 1063097658 /nfs/dbraw/zinc/09/76/58/1063097658.db2.gz QIEOYFORMBXYEU-IAGOWNOFSA-N 1 3 307.482 2.264 20 0 DEADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(F)cc1 ZINC001480769838 1063323606 /nfs/dbraw/zinc/32/36/06/1063323606.db2.gz FLMBYQOWMZHNFJ-CQSZACIVSA-N 1 3 321.440 2.294 20 0 DEADHO C[C@H](F)CC[NH2+]C1CC(N(C)C(=O)CN(C)CC(C)(C)C)C1 ZINC001508137802 1063575174 /nfs/dbraw/zinc/57/51/74/1063575174.db2.gz VOVAEQFWTNDCDI-NFOMZHRRSA-N 1 3 315.477 2.291 20 0 DEADHO CC(C)=CC[N@H+]1CC=C(CNC(=O)CN(C)C2CCC2)CC1 ZINC001508205413 1063609847 /nfs/dbraw/zinc/60/98/47/1063609847.db2.gz DSAPJOOIQABBNH-UHFFFAOYSA-N 1 3 305.466 2.185 20 0 DEADHO CC(C)=CC[N@@H+]1CC=C(CNC(=O)CN(C)C2CCC2)CC1 ZINC001508205413 1063609855 /nfs/dbraw/zinc/60/98/55/1063609855.db2.gz DSAPJOOIQABBNH-UHFFFAOYSA-N 1 3 305.466 2.185 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]CCN(C)C(=O)CN(C)C(C)C ZINC001567611604 1064279383 /nfs/dbraw/zinc/27/93/83/1064279383.db2.gz NXHQZIFEBHGKKL-UHFFFAOYSA-N 1 3 309.429 2.022 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@@H](CC[NH2+]CC3CCC3)C2)CCC1 ZINC001568058616 1064625072 /nfs/dbraw/zinc/62/50/72/1064625072.db2.gz XNQYQSYSXBBQEN-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC=C(Cl)Cl ZINC001494981538 1064626136 /nfs/dbraw/zinc/62/61/36/1064626136.db2.gz PXDXTGWDBGYDII-IJLUTSLNSA-N 1 3 322.280 2.130 20 0 DEADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC=C(Cl)Cl ZINC001494981538 1064626148 /nfs/dbraw/zinc/62/61/48/1064626148.db2.gz PXDXTGWDBGYDII-IJLUTSLNSA-N 1 3 322.280 2.130 20 0 DEADHO CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCc1cncs1 ZINC001494998116 1064632946 /nfs/dbraw/zinc/63/29/46/1064632946.db2.gz CCEVYNGDMFLPNJ-KBPBESRZSA-N 1 3 324.494 2.002 20 0 DEADHO CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCc1cncs1 ZINC001494998116 1064632947 /nfs/dbraw/zinc/63/29/47/1064632947.db2.gz CCEVYNGDMFLPNJ-KBPBESRZSA-N 1 3 324.494 2.002 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCC1CC1 ZINC001568197324 1064696725 /nfs/dbraw/zinc/69/67/25/1064696725.db2.gz RWINDRCBTSNICW-RDJZCZTQSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@](C)(C[NH2+]CCCF)C1CC1 ZINC001495250743 1064786917 /nfs/dbraw/zinc/78/69/17/1064786917.db2.gz USYUFNHGHIQEOJ-WBVHZDCISA-N 1 3 313.461 2.093 20 0 DEADHO CN(CC[N@H+](C)CCCCC(F)(F)F)C(=O)Cc1c[nH]cn1 ZINC001568496868 1064913458 /nfs/dbraw/zinc/91/34/58/1064913458.db2.gz LOZXKUIWHGLEPP-UHFFFAOYSA-N 1 3 320.359 2.075 20 0 DEADHO CN(CC[N@@H+](C)CCCCC(F)(F)F)C(=O)Cc1c[nH]cn1 ZINC001568496868 1064913467 /nfs/dbraw/zinc/91/34/67/1064913467.db2.gz LOZXKUIWHGLEPP-UHFFFAOYSA-N 1 3 320.359 2.075 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+]C/C=C/Cl)CC1 ZINC001495481703 1064935395 /nfs/dbraw/zinc/93/53/95/1064935395.db2.gz KNIRMJXPHFPDPP-KZACIIDJSA-N 1 3 301.862 2.096 20 0 DEADHO CCC[NH2+]Cc1ccc(CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001495495818 1064945849 /nfs/dbraw/zinc/94/58/49/1064945849.db2.gz TWGIHSYQWJWOBT-HNNXBMFYSA-N 1 3 303.450 2.144 20 0 DEADHO C[C@H](CC[NH2+]CC1CC2(CCC2)C1)NC(=O)CN1CC[C@@H](C)C1 ZINC001568677766 1065044958 /nfs/dbraw/zinc/04/49/58/1065044958.db2.gz GEPHCAALGOMCDC-HZPDHXFCSA-N 1 3 321.509 2.393 20 0 DEADHO CCN(CC[NH2+]CC1CCC2(CC2)CC1)C(=O)[C@H]1CCCN1C ZINC001568730520 1065082978 /nfs/dbraw/zinc/08/29/78/1065082978.db2.gz FTDLSQABMIFUCD-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]CCC1CCCC1 ZINC001495743124 1065087383 /nfs/dbraw/zinc/08/73/83/1065087383.db2.gz MKVKEMLBGXVERN-JKSUJKDBSA-N 1 3 309.498 2.250 20 0 DEADHO CC[C@H](F)CNCCN(CC)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001568781957 1065114998 /nfs/dbraw/zinc/11/49/98/1065114998.db2.gz VZPWGDKWOALPOM-JKSUJKDBSA-N 1 3 315.477 2.436 20 0 DEADHO CC[C@H](F)CNCCN(CC)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001568781957 1065115001 /nfs/dbraw/zinc/11/50/01/1065115001.db2.gz VZPWGDKWOALPOM-JKSUJKDBSA-N 1 3 315.477 2.436 20 0 DEADHO CCN(CC[NH2+]Cc1ccc(C)cc1)C(=O)CN1CCCC1 ZINC001568797818 1065123483 /nfs/dbraw/zinc/12/34/83/1065123483.db2.gz MYDKSHOXGFGZTJ-UHFFFAOYSA-N 1 3 303.450 2.029 20 0 DEADHO CC(C)[C@H](C(=O)NC/C=C/CNC/C=C\Cl)[NH+]1CCCC1 ZINC001568972294 1065222189 /nfs/dbraw/zinc/22/21/89/1065222189.db2.gz ZDZWKUWNEKGZFI-UHNWHIGOSA-N 1 3 313.873 2.121 20 0 DEADHO CN(CCC[NH2+]CCCC1CCCC1)C(=O)[C@@H]1CCCN1C ZINC001569188879 1065351760 /nfs/dbraw/zinc/35/17/60/1065351760.db2.gz OGJDMQFMSYRFCN-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H]1CCCN(C(=O)CN(C)C2CCC2)[C@H]1C[NH2+]CCC1CC1 ZINC001496482652 1065500804 /nfs/dbraw/zinc/50/08/04/1065500804.db2.gz JIXIFVXJSIYNEX-YJBOKZPZSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@]1(C[NH2+]CCC2CCCC2)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001569685999 1065672159 /nfs/dbraw/zinc/67/21/59/1065672159.db2.gz WZICRNDPNCLCEK-GOSISDBHSA-N 1 3 318.465 2.361 20 0 DEADHO CC(C)CC[NH2+]CC[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001570004483 1065874873 /nfs/dbraw/zinc/87/48/73/1065874873.db2.gz JNRHUIQOPIVPPT-DLBZAZTESA-N 1 3 309.498 2.203 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C)cc2)C1)N(C)C ZINC001368601974 1148517981 /nfs/dbraw/zinc/51/79/81/1148517981.db2.gz AYJKBLOHOAXTIO-BZSNNMDCSA-N 1 3 317.477 2.320 20 0 DEADHO C[N@@H+]1CCC[C@H](CNC[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000044536318 1078340259 /nfs/dbraw/zinc/34/02/59/1078340259.db2.gz JCXNPFYZHMUVTF-HIFRSBDPSA-N 1 3 312.841 2.011 20 0 DEADHO C[N@H+]1CCC[C@H](CNC[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000044536318 1078340263 /nfs/dbraw/zinc/34/02/63/1078340263.db2.gz JCXNPFYZHMUVTF-HIFRSBDPSA-N 1 3 312.841 2.011 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@H+](C)CCc1ccccc1F ZINC001498455001 1066717665 /nfs/dbraw/zinc/71/76/65/1066717665.db2.gz HFBXPEHXYIUMOC-HNNXBMFYSA-N 1 3 323.456 2.145 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)CCc1ccccc1F ZINC001498455001 1066717673 /nfs/dbraw/zinc/71/76/73/1066717673.db2.gz HFBXPEHXYIUMOC-HNNXBMFYSA-N 1 3 323.456 2.145 20 0 DEADHO CN(CCC[NH2+]CC1CCCCCC1)C(=O)CN1CCCC1 ZINC001498654729 1066824651 /nfs/dbraw/zinc/82/46/51/1066824651.db2.gz IQGVIECJJUSSNU-UHFFFAOYSA-N 1 3 309.498 2.491 20 0 DEADHO CC1CC(C[NH2+]C[C@@H](NC(=O)C2(N(C)C)CCC2)C2CC2)C1 ZINC001498770246 1066877645 /nfs/dbraw/zinc/87/76/45/1066877645.db2.gz MQRWULPNJSWKSV-ZBCRRDGASA-N 1 3 307.482 2.001 20 0 DEADHO CCN(C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[C@H]1CCN(C)C1 ZINC001577641683 1066894102 /nfs/dbraw/zinc/89/41/02/1066894102.db2.gz QVVDDDQBXFSPHP-ZDUSSCGKSA-N 1 3 320.412 2.029 20 0 DEADHO CC[NH+](CC)CC[C@@H](C)NC(=O)C[C@@H]1NCc2ccccc21 ZINC001577687478 1066905397 /nfs/dbraw/zinc/90/53/97/1066905397.db2.gz ICFCUESZJRAJMO-PBHICJAKSA-N 1 3 303.450 2.458 20 0 DEADHO CCOc1cccc(N2CCN(CCCCCC[NH3+])CC2)n1 ZINC001578194430 1067013073 /nfs/dbraw/zinc/01/30/73/1067013073.db2.gz PQTZCACYQHKMLZ-UHFFFAOYSA-N 1 3 306.454 2.121 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)[C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001578416801 1067092140 /nfs/dbraw/zinc/09/21/40/1067092140.db2.gz FCXDQGVSXIICCL-IKGGRYGDSA-N 1 3 307.482 2.097 20 0 DEADHO CN(CCCN(C)C(=O)[C@H]1CCCCC[NH2+]1)Cc1ccco1 ZINC001578466441 1067111619 /nfs/dbraw/zinc/11/16/19/1067111619.db2.gz MAVKHQBOYLEXOU-MRXNPFEDSA-N 1 3 307.438 2.092 20 0 DEADHO CN(C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)[C@H]1CCCN(C)C1 ZINC001578528314 1067124541 /nfs/dbraw/zinc/12/45/41/1067124541.db2.gz CVEXLDFBHBZLAZ-SJORKVTESA-N 1 3 315.461 2.231 20 0 DEADHO C[NH2+]CCCN(C)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001578684232 1067150888 /nfs/dbraw/zinc/15/08/88/1067150888.db2.gz RBEHAQIQHHKZRP-RDJZCZTQSA-N 1 3 318.465 2.073 20 0 DEADHO CCc1ccc(C[NH2+]C2(CNC(=O)CN(C)C(C)C)CC2)cc1 ZINC001499459294 1067227168 /nfs/dbraw/zinc/22/71/68/1067227168.db2.gz WNHMPDNWAJAXIH-UHFFFAOYSA-N 1 3 317.477 2.328 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CCCF ZINC001483392683 1078503167 /nfs/dbraw/zinc/50/31/67/1078503167.db2.gz CDIMLNAAQMRWPE-HUUCEWRRSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)CCCF ZINC001483392683 1078503172 /nfs/dbraw/zinc/50/31/72/1078503172.db2.gz CDIMLNAAQMRWPE-HUUCEWRRSA-N 1 3 301.450 2.045 20 0 DEADHO Cc1cc([C@@H]2CCCCN2C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)n[nH]1 ZINC001579590759 1067378131 /nfs/dbraw/zinc/37/81/31/1067378131.db2.gz RRTLQQNTOULIKK-XIRDDKMYSA-N 1 3 304.438 2.014 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)CC1([NH3+])CCC1 ZINC001579737618 1067413973 /nfs/dbraw/zinc/41/39/73/1067413973.db2.gz LJMYBRNCPQCWQE-WBVHZDCISA-N 1 3 313.445 2.401 20 0 DEADHO Cc1cccc(CN(CCN(C)C)C(=O)C[NH2+]CC(C)C)c1 ZINC001579761701 1067418679 /nfs/dbraw/zinc/41/86/79/1067418679.db2.gz RCLCAFBQOIJRER-UHFFFAOYSA-N 1 3 305.466 2.131 20 0 DEADHO Cc1cnccc1CNCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001579826794 1067432523 /nfs/dbraw/zinc/43/25/23/1067432523.db2.gz QGLRCKUXSPWUNJ-UHFFFAOYSA-N 1 3 310.445 2.085 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CCc2cccs2)C1)N(C)C ZINC001267059041 1078535775 /nfs/dbraw/zinc/53/57/75/1078535775.db2.gz RLOJNWLZZDFPHY-ZBFHGGJFSA-N 1 3 323.506 2.069 20 0 DEADHO [NH3+]C1(CCN2CCCC[C@H]2[C@@H](O)c2ccccc2)CCOCC1 ZINC001580144484 1067508917 /nfs/dbraw/zinc/50/89/17/1067508917.db2.gz SDAGZPVBJPRPPP-ROUUACIJSA-N 1 3 318.461 2.473 20 0 DEADHO [NH3+]C1(CCN2CCCC[C@@H]2[C@H](O)c2ccccc2)CCOCC1 ZINC001580144482 1067509056 /nfs/dbraw/zinc/50/90/56/1067509056.db2.gz SDAGZPVBJPRPPP-QZTJIDSGSA-N 1 3 318.461 2.473 20 0 DEADHO NCC1(C[NH2+]CCNc2ccc(C(F)(F)F)cn2)CCC1 ZINC001580243913 1067536807 /nfs/dbraw/zinc/53/68/07/1067536807.db2.gz NAFWLUKNPPTQSX-UHFFFAOYSA-N 1 3 302.344 2.231 20 0 DEADHO CC/C=C\CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001571329320 1068224849 /nfs/dbraw/zinc/22/48/49/1068224849.db2.gz XYZVPMDHTIAAJF-OSJSJHBBSA-N 1 3 307.482 2.360 20 0 DEADHO CC/C=C\CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001571329320 1068224860 /nfs/dbraw/zinc/22/48/60/1068224860.db2.gz XYZVPMDHTIAAJF-OSJSJHBBSA-N 1 3 307.482 2.360 20 0 DEADHO CC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001267306059 1078752457 /nfs/dbraw/zinc/75/24/57/1078752457.db2.gz QQCAMZNWJQAJML-MBVDDHJVSA-N 1 3 304.438 2.055 20 0 DEADHO CC/C=C/CC[N@H+]1CC[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001267306059 1078752460 /nfs/dbraw/zinc/75/24/60/1078752460.db2.gz QQCAMZNWJQAJML-MBVDDHJVSA-N 1 3 304.438 2.055 20 0 DEADHO C[C@@H]1[C@H](C(=O)NCCN(CC2=CCCCC2)C2CC2)CC[N@@H+]1C ZINC001267325485 1078767007 /nfs/dbraw/zinc/76/70/07/1078767007.db2.gz ILIZTTCUTFLDQY-CRAIPNDOSA-N 1 3 319.493 2.408 20 0 DEADHO C[C@@H]1[C@H](C(=O)NCCN(CC2=CCCCC2)C2CC2)CC[N@H+]1C ZINC001267325485 1078767011 /nfs/dbraw/zinc/76/70/11/1078767011.db2.gz ILIZTTCUTFLDQY-CRAIPNDOSA-N 1 3 319.493 2.408 20 0 DEADHO CCN(C(=O)C[C@@H](N)c1cc(C)nc(Cl)c1)C1CC[NH2+]CC1 ZINC001515692073 1068894414 /nfs/dbraw/zinc/89/44/14/1068894414.db2.gz ZAIOPMQAKCVEQA-CQSZACIVSA-N 1 3 324.856 2.034 20 0 DEADHO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CC1CCC1)N1CCCCCC1 ZINC001483697835 1078817669 /nfs/dbraw/zinc/81/76/69/1078817669.db2.gz LLIAHTIOGPRSLZ-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H](C(=O)NC[C@@H]1CC[N@H+]1CC1CCC1)N1CCCCCC1 ZINC001483697835 1078817681 /nfs/dbraw/zinc/81/76/81/1078817681.db2.gz LLIAHTIOGPRSLZ-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H](C(=O)NC[C@@H]1CCN1CC1CCC1)[NH+]1CCCCCC1 ZINC001483697835 1078817690 /nfs/dbraw/zinc/81/76/90/1078817690.db2.gz LLIAHTIOGPRSLZ-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C[C@]1(O)CCC[NH2+]C1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001573870086 1069124229 /nfs/dbraw/zinc/12/42/29/1069124229.db2.gz LIFHLJYMSLCZGH-SQNIBIBYSA-N 1 3 322.424 2.092 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C2(N(C)C)CCCC2)C1 ZINC001540935341 1072434578 /nfs/dbraw/zinc/43/45/78/1072434578.db2.gz WPQZHNAQRNVYQP-IYBDPMFKSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2(N(C)C)CCCC2)C1 ZINC001540935341 1072434583 /nfs/dbraw/zinc/43/45/83/1072434583.db2.gz WPQZHNAQRNVYQP-IYBDPMFKSA-N 1 3 309.498 2.345 20 0 DEADHO CN(C)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC1CCCC1 ZINC001272498941 1078930376 /nfs/dbraw/zinc/93/03/76/1078930376.db2.gz GPAVNFJXVDNCGR-SFHVURJKSA-N 1 3 307.482 2.195 20 0 DEADHO CN(C)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CC1CCCC1 ZINC001272498941 1078930381 /nfs/dbraw/zinc/93/03/81/1078930381.db2.gz GPAVNFJXVDNCGR-SFHVURJKSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)N3CCN(C4CC4)C[C@H](C)C3)C[N@@H+]2C1 ZINC001548711025 1072828108 /nfs/dbraw/zinc/82/81/08/1072828108.db2.gz ZZNBFRPGHHEURA-KYHPRHEASA-N 1 3 319.493 2.050 20 0 DEADHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)N3CCN(C4CC4)C[C@H](C)C3)C[N@H+]2C1 ZINC001548711025 1072828113 /nfs/dbraw/zinc/82/81/13/1072828113.db2.gz ZZNBFRPGHHEURA-KYHPRHEASA-N 1 3 319.493 2.050 20 0 DEADHO C[NH2+][C@H](C)CCNC(=O)N(CCN(C)C)CC1CCCCC1 ZINC001645848188 1079024622 /nfs/dbraw/zinc/02/46/22/1079024622.db2.gz UYTRFTUPDCODQA-OAHLLOKOSA-N 1 3 312.502 2.138 20 0 DEADHO O=C(N[C@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1cccc2c1CNC2 ZINC001549296922 1073115062 /nfs/dbraw/zinc/11/50/62/1073115062.db2.gz URSCJUNJAFFBTF-APWZRJJASA-N 1 3 321.424 2.165 20 0 DEADHO N[C@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)C1CCCCC1 ZINC001645892815 1079041053 /nfs/dbraw/zinc/04/10/53/1079041053.db2.gz KERYKEFYYJDLEG-KRWDZBQOSA-N 1 3 307.482 2.371 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC(C)C)C1 ZINC001272651034 1079047409 /nfs/dbraw/zinc/04/74/09/1079047409.db2.gz BSPUXBQZUQXHNQ-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc2c(c1)OCCNC2 ZINC001549756141 1073253747 /nfs/dbraw/zinc/25/37/47/1073253747.db2.gz XFUYWXNRASRIIH-IUODEOHRSA-N 1 3 303.406 2.015 20 0 DEADHO [NH3+][C@@H]1C[C@@H]1c1ccc(NC(=O)c2ccc3c(c2)CNCC3)cc1 ZINC001550099106 1073426487 /nfs/dbraw/zinc/42/64/87/1073426487.db2.gz OIAARKLEIIUFCG-QZTJIDSGSA-N 1 3 307.397 2.399 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CCCC[NH2+]C3)C2)cc1 ZINC001550101509 1073426947 /nfs/dbraw/zinc/42/69/47/1073426947.db2.gz SUWAJHYRVJMVMQ-ZWKOTPCHSA-N 1 3 315.461 2.075 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](N[C@@H]1CCc3cccnc31)C2 ZINC001550355483 1073612946 /nfs/dbraw/zinc/61/29/46/1073612946.db2.gz XUDKTKGMRVTTIQ-DZBHQSCQSA-N 1 3 315.461 2.138 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](N[C@@H]1CCc3cccnc31)C2 ZINC001550355483 1073612949 /nfs/dbraw/zinc/61/29/49/1073612949.db2.gz XUDKTKGMRVTTIQ-DZBHQSCQSA-N 1 3 315.461 2.138 20 0 DEADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cncs3)C2)[C@@H]1C(C)C ZINC001550422776 1073648170 /nfs/dbraw/zinc/64/81/70/1073648170.db2.gz CYKULGMDCKEURA-VGWMRTNUSA-N 1 3 309.479 2.103 20 0 DEADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cncs3)C2)[C@@H]1C(C)C ZINC001550422776 1073648180 /nfs/dbraw/zinc/64/81/80/1073648180.db2.gz CYKULGMDCKEURA-VGWMRTNUSA-N 1 3 309.479 2.103 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)CC(C)(C)C[NH2+]C/C=C\Cl)C1 ZINC001329335045 1148885561 /nfs/dbraw/zinc/88/55/61/1148885561.db2.gz HWEMIOBLEBDMLM-BRLPQQTGSA-N 1 3 315.889 2.155 20 0 DEADHO Nc1c(F)cccc1CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC001550704828 1073816036 /nfs/dbraw/zinc/81/60/36/1073816036.db2.gz IRZUJQAAOAKZEZ-GOEBONIOSA-N 1 3 307.413 2.126 20 0 DEADHO C[C@@H]1C[C@H](NC/C(Cl)=C/Cl)CCN1C(=O)CC[NH+](C)C ZINC001483909264 1079190985 /nfs/dbraw/zinc/19/09/85/1079190985.db2.gz RBQGXRGOZABYLD-BIIGBYBUSA-N 1 3 322.280 2.226 20 0 DEADHO CC(C)CC[NH+]1CCC(C)(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001483971196 1079213487 /nfs/dbraw/zinc/21/34/87/1079213487.db2.gz PDHOABRZTPLUEM-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CCC/C=C\CC[N@@H+]1CC[C@@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001481120422 1079215243 /nfs/dbraw/zinc/21/52/43/1079215243.db2.gz DFCUNEZEIUYGIV-KJPDOMRESA-N 1 3 318.465 2.445 20 0 DEADHO CCC/C=C\CC[N@H+]1CC[C@@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001481120422 1079215253 /nfs/dbraw/zinc/21/52/53/1079215253.db2.gz DFCUNEZEIUYGIV-KJPDOMRESA-N 1 3 318.465 2.445 20 0 DEADHO CCn1ccnc1CNC1CCC(C)([NH+]2CCOCC2)CC1 ZINC001551237467 1074127440 /nfs/dbraw/zinc/12/74/40/1074127440.db2.gz NFJSGXJFWXNLAR-UHFFFAOYSA-N 1 3 306.454 2.026 20 0 DEADHO COc1cccc(N2CCC([NH2+][C@@H]3CCC[C@H]3CN)CC2)c1 ZINC001649839057 1079254491 /nfs/dbraw/zinc/25/44/91/1079254491.db2.gz NMAJCNGHXSNIHO-KBXCAEBGSA-N 1 3 303.450 2.381 20 0 DEADHO CS[C@H]1CC[C@H]1[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001649845655 1079260261 /nfs/dbraw/zinc/26/02/61/1079260261.db2.gz YLMAXIQQWKJULY-MSOLQXFVSA-N 1 3 319.518 2.418 20 0 DEADHO CS[C@@H]1CC[C@H]1[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001649845656 1079260436 /nfs/dbraw/zinc/26/04/36/1079260436.db2.gz YLMAXIQQWKJULY-QZTJIDSGSA-N 1 3 319.518 2.418 20 0 DEADHO CCOC(=O)c1cc(CN2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)on1 ZINC001646376530 1074433401 /nfs/dbraw/zinc/43/34/01/1074433401.db2.gz HYJNBLYASAWPPU-BFHYXJOUSA-N 1 3 321.421 2.013 20 0 DEADHO CN(C)Cc1ccccc1CNC(=O)[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC001552150357 1074476617 /nfs/dbraw/zinc/47/66/17/1074476617.db2.gz ABEHFMLLOMMAEL-MSOLQXFVSA-N 1 3 315.461 2.000 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)NCCN2CCCCC2)[C@@H]1c1ccccc1 ZINC001552296638 1074525265 /nfs/dbraw/zinc/52/52/65/1074525265.db2.gz GYWPVDNUUZZDOL-MSOLQXFVSA-N 1 3 315.461 2.282 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)NCCN2CCCCC2)[C@@H]1c1ccccc1 ZINC001552296638 1074525270 /nfs/dbraw/zinc/52/52/70/1074525270.db2.gz GYWPVDNUUZZDOL-MSOLQXFVSA-N 1 3 315.461 2.282 20 0 DEADHO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]1NCc2ccccc21 ZINC001552390698 1074564682 /nfs/dbraw/zinc/56/46/82/1074564682.db2.gz GXSKLVQHVYSUNZ-YESZJQIVSA-N 1 3 301.434 2.210 20 0 DEADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1CCCC[NH2+]C1 ZINC001552413778 1074572258 /nfs/dbraw/zinc/57/22/58/1074572258.db2.gz BEELIZXFDUABJA-QZTJIDSGSA-N 1 3 315.461 2.329 20 0 DEADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H]2CCCO[C@@H]2c2cnn(C)c2)C1 ZINC001552525071 1074595388 /nfs/dbraw/zinc/59/53/88/1074595388.db2.gz DQROZYSJEZWVTI-JZXOWHBKSA-N 1 3 320.481 2.161 20 0 DEADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCCO[C@@H]2c2cnn(C)c2)C1 ZINC001552525071 1074595392 /nfs/dbraw/zinc/59/53/92/1074595392.db2.gz DQROZYSJEZWVTI-JZXOWHBKSA-N 1 3 320.481 2.161 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C[C@H]2CCCO[C@@H]2c2cnn(C)c2)C1 ZINC001552525071 1074595396 /nfs/dbraw/zinc/59/53/96/1074595396.db2.gz DQROZYSJEZWVTI-JZXOWHBKSA-N 1 3 320.481 2.161 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@H]2CCCO[C@@H]2c2cnn(C)c2)C1 ZINC001552525071 1074595398 /nfs/dbraw/zinc/59/53/98/1074595398.db2.gz DQROZYSJEZWVTI-JZXOWHBKSA-N 1 3 320.481 2.161 20 0 DEADHO CN(C)C[C@@H](NC(=O)C1=CCC[NH2+]CC1)c1ccc(Cl)cc1 ZINC001646752830 1074599409 /nfs/dbraw/zinc/59/94/09/1074599409.db2.gz QVNSSUZPPUGVGB-MRXNPFEDSA-N 1 3 321.852 2.369 20 0 DEADHO C[C@@H]1[NH2+]CCn2c(-c3nc([C@@H]4CN5CCC4CC5)no3)ccc21 ZINC001553314456 1074838917 /nfs/dbraw/zinc/83/89/17/1074838917.db2.gz FHIRVKUFGJPSGN-WCQYABFASA-N 1 3 313.405 2.012 20 0 DEADHO CC1(C)[C@H](NC(=O)[C@H](N)CC2CCCCC2)[C@H]2CCC[NH2+][C@H]21 ZINC001649980178 1079335230 /nfs/dbraw/zinc/33/52/30/1079335230.db2.gz XHSOSMXPHWCVEW-ZJIFWQFVSA-N 1 3 307.482 2.177 20 0 DEADHO CSc1ccc(OC[C@@H](O)CNC[C@H]2CCC[N@H+](C)C2)cc1 ZINC001647565023 1074947716 /nfs/dbraw/zinc/94/77/16/1074947716.db2.gz WQUOPHUDUSPOTM-CABCVRRESA-N 1 3 324.490 2.080 20 0 DEADHO CSc1ccc(OC[C@@H](O)CNC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001647565023 1074947718 /nfs/dbraw/zinc/94/77/18/1074947718.db2.gz WQUOPHUDUSPOTM-CABCVRRESA-N 1 3 324.490 2.080 20 0 DEADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NC[C@@H]3CCN3C(C)(C)C)C[N@@H+]2C1 ZINC001649328179 1075038410 /nfs/dbraw/zinc/03/84/10/1075038410.db2.gz POVCXVVEFZGPFL-UGUYLWEFSA-N 1 3 307.482 2.096 20 0 DEADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NC[C@@H]3CCN3C(C)(C)C)C[N@H+]2C1 ZINC001649328179 1075038413 /nfs/dbraw/zinc/03/84/13/1075038413.db2.gz POVCXVVEFZGPFL-UGUYLWEFSA-N 1 3 307.482 2.096 20 0 DEADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CCc1ccccc1)N(C)C ZINC001369282738 1148890941 /nfs/dbraw/zinc/89/09/41/1148890941.db2.gz GDLKLPXFHRUJFK-RDJZCZTQSA-N 1 3 305.466 2.006 20 0 DEADHO CC/C=C/CC[N@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001566743414 1075333320 /nfs/dbraw/zinc/33/33/20/1075333320.db2.gz MULSWCGYWSYDLX-DWTRPJMMSA-N 1 3 318.465 2.479 20 0 DEADHO CC/C=C/CC[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001566743414 1075333324 /nfs/dbraw/zinc/33/33/24/1075333324.db2.gz MULSWCGYWSYDLX-DWTRPJMMSA-N 1 3 318.465 2.479 20 0 DEADHO CC/C=C/CC[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001267708906 1079396838 /nfs/dbraw/zinc/39/68/38/1079396838.db2.gz RKKHOIWFXKAMSZ-BDUNBXCCSA-N 1 3 307.482 2.219 20 0 DEADHO CC/C=C/CC[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001267708906 1079396842 /nfs/dbraw/zinc/39/68/42/1079396842.db2.gz RKKHOIWFXKAMSZ-BDUNBXCCSA-N 1 3 307.482 2.219 20 0 DEADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CC[C@H]([NH3+])C2)N(C)C)cc1 ZINC001650160012 1079428067 /nfs/dbraw/zinc/42/80/67/1079428067.db2.gz TZRPVKYNGPWZMW-PVAVHDDUSA-N 1 3 318.465 2.024 20 0 DEADHO O[C@]1(CN2CCC[C@@](F)(c3ccccc3)C2)CCC[NH2+]CC1 ZINC001580879943 1076012499 /nfs/dbraw/zinc/01/24/99/1076012499.db2.gz HVKNXQIEDJIKEF-MSOLQXFVSA-N 1 3 306.425 2.452 20 0 DEADHO c1ccc2c(c1)nccc2N1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC001580895608 1076017073 /nfs/dbraw/zinc/01/70/73/1076017073.db2.gz OMJAGOTWTSEJGP-INIZCTEOSA-N 1 3 310.445 2.356 20 0 DEADHO CC[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590471551 1076635773 /nfs/dbraw/zinc/63/57/73/1076635773.db2.gz IUZZTOMXPWQQLD-MLGOLLRUSA-N 1 3 314.437 2.296 20 0 DEADHO CC[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590471551 1076635774 /nfs/dbraw/zinc/63/57/74/1076635774.db2.gz IUZZTOMXPWQQLD-MLGOLLRUSA-N 1 3 314.437 2.296 20 0 DEADHO C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(-c2nnn[n-]2)cc1F ZINC001609109538 1077763642 /nfs/dbraw/zinc/76/36/42/1077763642.db2.gz DVEXJMOITKSITP-WDEREUQCSA-N 1 3 306.389 2.174 20 0 DEADHO C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(-c2nn[n-]n2)cc1F ZINC001609109538 1077763644 /nfs/dbraw/zinc/76/36/44/1077763644.db2.gz DVEXJMOITKSITP-WDEREUQCSA-N 1 3 306.389 2.174 20 0 DEADHO C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cccc(-c2nnn[n-]2)c1 ZINC001609123836 1077766532 /nfs/dbraw/zinc/76/65/32/1077766532.db2.gz QGAXSSUDAQZIHS-SWLSCSKDSA-N 1 3 300.410 2.050 20 0 DEADHO C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cccc(-c2nn[n-]n2)c1 ZINC001609123836 1077766534 /nfs/dbraw/zinc/76/65/34/1077766534.db2.gz QGAXSSUDAQZIHS-SWLSCSKDSA-N 1 3 300.410 2.050 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@]1(C[NH2+]CCCF)CCCC[C@@H]1C ZINC001267873603 1079560984 /nfs/dbraw/zinc/56/09/84/1079560984.db2.gz JVGSGPBDVATGJC-GUYCJALGSA-N 1 3 324.444 2.275 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CC[C@H](C[NH2+]CC(C)C)CC1)N(C)C ZINC001484396816 1079585006 /nfs/dbraw/zinc/58/50/06/1079585006.db2.gz QHNWKFHVZRMRHX-BRWVUGGUSA-N 1 3 311.514 2.495 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[C@H](C[NH2+]CC3CC3)CC2)C1 ZINC001484395706 1079585461 /nfs/dbraw/zinc/58/54/61/1079585461.db2.gz BVOKLZNYROKNCX-KBAYOESNSA-N 1 3 321.509 2.250 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+]CCCC1CCC1 ZINC001481320222 1079717089 /nfs/dbraw/zinc/71/70/89/1079717089.db2.gz WZBLLTJICGQOBZ-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CCCCCF ZINC001484890070 1079839169 /nfs/dbraw/zinc/83/91/69/1079839169.db2.gz ZDPOQLHOLRSDFK-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@@H](F)C[NH2+]CC(C)(C)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001485260723 1080095357 /nfs/dbraw/zinc/09/53/57/1080095357.db2.gz PAGYRUJNNKVOPD-LSDHHAIUSA-N 1 3 315.477 2.151 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC1C[NH+](CCCC(C)C)C1 ZINC001481669455 1080277689 /nfs/dbraw/zinc/27/76/89/1080277689.db2.gz MXVZBONEHZXBGU-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](F)CC[NH2+]CC[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001268364062 1080376513 /nfs/dbraw/zinc/37/65/13/1080376513.db2.gz APSIQVNOUIVPAZ-GJZGRUSLSA-N 1 3 315.477 2.483 20 0 DEADHO C[C@H](CC[NH2+]Cc1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001268369101 1080380492 /nfs/dbraw/zinc/38/04/92/1080380492.db2.gz QYMKCRQHXYTGSQ-OAHLLOKOSA-N 1 3 303.450 2.155 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1cccc(C)c1)N(C)C ZINC001268374709 1080392163 /nfs/dbraw/zinc/39/21/63/1080392163.db2.gz LEICUKQZDZTYRI-NVXWUHKLSA-N 1 3 305.466 2.320 20 0 DEADHO Cc1nn(C)c2nc(Cl)c(CNCC3CC[NH+](C)CC3)cc12 ZINC001661351570 1080472325 /nfs/dbraw/zinc/47/23/25/1080472325.db2.gz XPOHIVDMNGUZJC-UHFFFAOYSA-N 1 3 321.856 2.362 20 0 DEADHO CCN(CCNC/C=C/Cl)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001268461737 1080532141 /nfs/dbraw/zinc/53/21/41/1080532141.db2.gz JKJOVXRJPUBHJF-VFADXPBXSA-N 1 3 315.889 2.297 20 0 DEADHO CCN(CCNC/C=C/Cl)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001268461737 1080532149 /nfs/dbraw/zinc/53/21/49/1080532149.db2.gz JKJOVXRJPUBHJF-VFADXPBXSA-N 1 3 315.889 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccsc2)[C@H](C)C1 ZINC001107042225 1080555827 /nfs/dbraw/zinc/55/58/27/1080555827.db2.gz BICOZKCEPYDHSX-GDBMZVCRSA-N 1 3 323.506 2.272 20 0 DEADHO CC[C@@H](C(=O)N(CC)CC[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001268493077 1080628484 /nfs/dbraw/zinc/62/84/84/1080628484.db2.gz QXBVHEPKFBXLBT-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[NH2+]CCC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001482003107 1080683079 /nfs/dbraw/zinc/68/30/79/1080683079.db2.gz ACQSEDYJMGTCGG-QGZVFWFLSA-N 1 3 311.514 2.447 20 0 DEADHO CCCCCC[N@@H+]1CC[C@@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001663634306 1080794350 /nfs/dbraw/zinc/79/43/50/1080794350.db2.gz QOUGMWACFRRWTP-HNNXBMFYSA-N 1 3 306.454 2.279 20 0 DEADHO CCCCCC[N@H+]1CC[C@@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001663634306 1080794357 /nfs/dbraw/zinc/79/43/57/1080794357.db2.gz QOUGMWACFRRWTP-HNNXBMFYSA-N 1 3 306.454 2.279 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)CC[NH2+]C[C@H]1CCC(F)(F)C1)N(C)C ZINC001663995227 1080847114 /nfs/dbraw/zinc/84/71/14/1080847114.db2.gz AHLJQKABOBOEBQ-KBPBESRZSA-N 1 3 319.440 2.056 20 0 DEADHO CC/C=C/CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001664795717 1080962149 /nfs/dbraw/zinc/96/21/49/1080962149.db2.gz BNAKADFRVRWWBD-LZCSOBMZSA-N 1 3 307.482 2.217 20 0 DEADHO CC/C=C/CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001664795717 1080962153 /nfs/dbraw/zinc/96/21/53/1080962153.db2.gz BNAKADFRVRWWBD-LZCSOBMZSA-N 1 3 307.482 2.217 20 0 DEADHO CCCCC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001665676896 1081061023 /nfs/dbraw/zinc/06/10/23/1081061023.db2.gz PCRKLWLKTJMTBT-CQSZACIVSA-N 1 3 306.454 2.410 20 0 DEADHO CCCCC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001665676896 1081061028 /nfs/dbraw/zinc/06/10/28/1081061028.db2.gz PCRKLWLKTJMTBT-CQSZACIVSA-N 1 3 306.454 2.410 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H](CC[NH2+]CC2CCC2)C1)N(C)C ZINC001666120020 1081125255 /nfs/dbraw/zinc/12/52/55/1081125255.db2.gz LQVZFDDCWNUKFZ-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CCC/C=C/CCN1CC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001269330461 1081216628 /nfs/dbraw/zinc/21/66/28/1081216628.db2.gz DHNAIJNIEMNAJC-LZCSOBMZSA-N 1 3 307.482 2.265 20 0 DEADHO CCC/C=C/CCN1CC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001269330461 1081216631 /nfs/dbraw/zinc/21/66/31/1081216631.db2.gz DHNAIJNIEMNAJC-LZCSOBMZSA-N 1 3 307.482 2.265 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001668279096 1081335788 /nfs/dbraw/zinc/33/57/88/1081335788.db2.gz PIZUTAUJSWMIEF-YOEHRIQHSA-N 1 3 323.456 2.459 20 0 DEADHO CCN(CC[NH2+]Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCCN1C ZINC001668381663 1081348356 /nfs/dbraw/zinc/34/83/56/1081348356.db2.gz FMIVDKZFDWWPNB-INIZCTEOSA-N 1 3 323.868 2.372 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@@H](CC[NH2+]CC3CC3)C2)CCC1 ZINC001269741810 1081352261 /nfs/dbraw/zinc/35/22/61/1081352261.db2.gz PNVZLVWBCMRLHN-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC2(C[NH+](CC3CCC3)C2)CC1 ZINC001482246277 1081381439 /nfs/dbraw/zinc/38/14/39/1081381439.db2.gz HKMOKITZFUFCCZ-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO CN(C)C1(C(=O)N2CCC(CC[NH2+]CC3CCC3)CC2)CCC1 ZINC001269871386 1081388204 /nfs/dbraw/zinc/38/82/04/1081388204.db2.gz YHPDIFTWIVPSNT-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO Cc1cc(CNC/C=C\CNC(=O)CC[NH+](C)C)c(C)s1 ZINC001669020649 1081419259 /nfs/dbraw/zinc/41/92/59/1081419259.db2.gz HBUPEYCKAAOXFW-WAYWQWQTSA-N 1 3 309.479 2.079 20 0 DEADHO Cc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001669028051 1081421050 /nfs/dbraw/zinc/42/10/50/1081421050.db2.gz YXBYNSBUPKAZCH-IPLHWJFFSA-N 1 3 317.477 2.343 20 0 DEADHO CC[C@H](C(=O)NC/C=C/C[NH2+]C[C@H]1CCC(F)(F)C1)N(C)C ZINC001669145443 1081431918 /nfs/dbraw/zinc/43/19/18/1081431918.db2.gz LVENIBSPLDSGKQ-BUHQSOCUSA-N 1 3 317.424 2.024 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCc1cccs1)N(C)C ZINC001270077385 1081444226 /nfs/dbraw/zinc/44/42/26/1081444226.db2.gz SAVUCYRUYTWRNE-GOEBONIOSA-N 1 3 323.506 2.211 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+]CCCC1CCC1 ZINC001270193748 1081471349 /nfs/dbraw/zinc/47/13/49/1081471349.db2.gz LSRXSWHFCDSLLJ-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CCCCC[NH2+]CC[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001672863703 1081713827 /nfs/dbraw/zinc/71/38/27/1081713827.db2.gz RIVKRKFQGNVANO-SJORKVTESA-N 1 3 309.498 2.347 20 0 DEADHO O=C(CN1CCCC1)N1CC[C@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001672911422 1081720946 /nfs/dbraw/zinc/72/09/46/1081720946.db2.gz VBWHBCITHHPQIG-SFHVURJKSA-N 1 3 319.493 2.411 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CN1Cc1ccccc1 ZINC000717976779 1081854760 /nfs/dbraw/zinc/85/47/60/1081854760.db2.gz JHXVMGJPGKAEQX-DZOHQFGASA-N 1 3 315.461 2.283 20 0 DEADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001625795931 1081941253 /nfs/dbraw/zinc/94/12/53/1081941253.db2.gz GDJMNBCXQXNGLK-HOTGVXAUSA-N 1 3 311.514 2.449 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CC1CCC1 ZINC001271493646 1082062389 /nfs/dbraw/zinc/06/23/89/1082062389.db2.gz BZVPSTGYBDJRQP-DLBZAZTESA-N 1 3 307.482 2.242 20 0 DEADHO CC/C=C/CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266533766 1082127337 /nfs/dbraw/zinc/12/73/37/1082127337.db2.gz QCXGBTAWCAWRKT-UAEOLWBESA-N 1 3 309.498 2.367 20 0 DEADHO CC/C=C/CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266533766 1082127342 /nfs/dbraw/zinc/12/73/42/1082127342.db2.gz QCXGBTAWCAWRKT-UAEOLWBESA-N 1 3 309.498 2.367 20 0 DEADHO C[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)[C@H]1CNCCF ZINC001271759304 1082147978 /nfs/dbraw/zinc/14/79/78/1082147978.db2.gz OYAUBUIHZUAFBA-HOTGVXAUSA-N 1 3 313.461 2.049 20 0 DEADHO CCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@H]2C1 ZINC001271861095 1082174974 /nfs/dbraw/zinc/17/49/74/1082174974.db2.gz RPXGUZUJXBAPAF-IXDOHACOSA-N 1 3 309.498 2.297 20 0 DEADHO CCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@H]2C1 ZINC001271861095 1082174979 /nfs/dbraw/zinc/17/49/79/1082174979.db2.gz RPXGUZUJXBAPAF-IXDOHACOSA-N 1 3 309.498 2.297 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@H]2C1 ZINC001271861563 1082175907 /nfs/dbraw/zinc/17/59/07/1082175907.db2.gz WPGXTJSDKRCTII-JVSXQDPISA-N 1 3 307.482 2.073 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@H]2C1 ZINC001271861563 1082175910 /nfs/dbraw/zinc/17/59/10/1082175910.db2.gz WPGXTJSDKRCTII-JVSXQDPISA-N 1 3 307.482 2.073 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCNC/C=C/Cl ZINC001266854145 1082398607 /nfs/dbraw/zinc/39/86/07/1082398607.db2.gz BUNJRWRKEGXMLH-IZPAUZPXSA-N 1 3 301.862 2.050 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)CCNC/C=C/Cl ZINC001266854145 1082398614 /nfs/dbraw/zinc/39/86/14/1082398614.db2.gz BUNJRWRKEGXMLH-IZPAUZPXSA-N 1 3 301.862 2.050 20 0 DEADHO CCN(CCNC/C=C\Cl)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001482955864 1082576786 /nfs/dbraw/zinc/57/67/86/1082576786.db2.gz WPJKKNYDVBGYEO-WHLNPGIBSA-N 1 3 315.889 2.442 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCC(F)(F)F ZINC001483099175 1082707669 /nfs/dbraw/zinc/70/76/69/1082707669.db2.gz WKLUSQNCWPBVEJ-MUBLQREKSA-N 1 3 321.387 2.075 20 0 DEADHO CCCCC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)CCC)CC[C@H]21 ZINC001496867728 1083056140 /nfs/dbraw/zinc/05/61/40/1083056140.db2.gz LTMDAZVTUOWSSP-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCCC[N@H+]1CC[C@H]2CN(C(=O)CN(C)CCC)CC[C@H]21 ZINC001496867728 1083056145 /nfs/dbraw/zinc/05/61/45/1083056145.db2.gz LTMDAZVTUOWSSP-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438667 1083395041 /nfs/dbraw/zinc/39/50/41/1083395041.db2.gz GNWVMBLAWWQRRM-SOLBZPMBSA-N 1 3 307.482 2.097 20 0 DEADHO CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438667 1083395055 /nfs/dbraw/zinc/39/50/55/1083395055.db2.gz GNWVMBLAWWQRRM-SOLBZPMBSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1cccc(C(=O)N2CCC([NH2+]C[C@H](C)CN(C)C)CC2)c1 ZINC001413155306 1083395889 /nfs/dbraw/zinc/39/58/89/1083395889.db2.gz IWUAQMHVAFTIDD-INIZCTEOSA-N 1 3 317.477 2.387 20 0 DEADHO c1n[nH]cc1CN1CC[C@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@H]2CC1 ZINC001276444350 1083437191 /nfs/dbraw/zinc/43/71/91/1083437191.db2.gz SOQPNQISUQEDKN-KSZLIROESA-N 1 3 318.465 2.123 20 0 DEADHO c1n[nH]cc1CN1CC[C@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@H]2CC1 ZINC001276444350 1083437194 /nfs/dbraw/zinc/43/71/94/1083437194.db2.gz SOQPNQISUQEDKN-KSZLIROESA-N 1 3 318.465 2.123 20 0 DEADHO C[N@H+]1CC[C@H]2CN(Cc3cn4cc(F)ccc4n3)C[C@H]2CC1 ZINC001276664933 1083539338 /nfs/dbraw/zinc/53/93/38/1083539338.db2.gz ASUOJLDLMCVPST-OKILXGFUSA-N 1 3 302.397 2.247 20 0 DEADHO C[N@@H+]1CC[C@H]2CN(Cc3cn4cc(F)ccc4n3)C[C@H]2CC1 ZINC001276664933 1083539349 /nfs/dbraw/zinc/53/93/49/1083539349.db2.gz ASUOJLDLMCVPST-OKILXGFUSA-N 1 3 302.397 2.247 20 0 DEADHO C[NH+]1CCC(CN2CC3(CCN3CCCC(F)(F)F)C2)CC1 ZINC001276696835 1083553538 /nfs/dbraw/zinc/55/35/38/1083553538.db2.gz XIUKBKMBXHFDGP-UHFFFAOYSA-N 1 3 319.415 2.431 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCC3=CCCCC3)C[C@H]21 ZINC001114998720 1083913429 /nfs/dbraw/zinc/91/34/29/1083913429.db2.gz VDGKLUBNKKXMHT-DZFIZOCASA-N 1 3 319.493 2.265 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]21 ZINC001114998720 1083913434 /nfs/dbraw/zinc/91/34/34/1083913434.db2.gz VDGKLUBNKKXMHT-DZFIZOCASA-N 1 3 319.493 2.265 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CC[NH2+][C@H](C)C3)C2)cc1 ZINC001649045493 1084037174 /nfs/dbraw/zinc/03/71/74/1084037174.db2.gz FWBWNLRTMFFDRN-KBAYOESNSA-N 1 3 315.461 2.074 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@@H](C[NH2+]C/C=C\Cl)C2)CCC1 ZINC001491153995 1084114342 /nfs/dbraw/zinc/11/43/42/1084114342.db2.gz PHNYFQMRTXCWQT-UQYHUFHVSA-N 1 3 313.873 2.051 20 0 DEADHO Cc1ncsc1C[N@H+]1CC[C@H]2[C@@H]1CCN2c1cncn1C ZINC001277765243 1084136417 /nfs/dbraw/zinc/13/64/17/1084136417.db2.gz CZQJAJZYVGNUFP-STQMWFEESA-N 1 3 303.435 2.038 20 0 DEADHO Cc1ncsc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2c1cncn1C ZINC001277765243 1084136423 /nfs/dbraw/zinc/13/64/23/1084136423.db2.gz CZQJAJZYVGNUFP-STQMWFEESA-N 1 3 303.435 2.038 20 0 DEADHO CCCN(C)CC(=O)N1CCC([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001203460966 1084177464 /nfs/dbraw/zinc/17/74/64/1084177464.db2.gz YZGMAHCUNHCZRX-IXDOHACOSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)[C@H](C(=O)N(C)[C@H](C[NH2+]C/C=C/Cl)C1CC1)N(C)C ZINC001485832575 1084195431 /nfs/dbraw/zinc/19/54/31/1084195431.db2.gz OICVIHNZSWVJLL-VOTDVEDPSA-N 1 3 315.889 2.152 20 0 DEADHO Nc1ncccc1CN1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC001235091641 1084308333 /nfs/dbraw/zinc/30/83/33/1084308333.db2.gz RRNHZCGUPXDBBX-UHFFFAOYSA-N 1 3 308.429 2.301 20 0 DEADHO C[C@H](Cc1ccc2c(c1)OCO2)CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235187425 1084338822 /nfs/dbraw/zinc/33/88/22/1084338822.db2.gz YNJKIJFHCLMQEG-BMFZPTHFSA-N 1 3 302.418 2.135 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CCN1CC1(F)CC[NH2+]CC1 ZINC001235715900 1084509867 /nfs/dbraw/zinc/50/98/67/1084509867.db2.gz XKOPFICJXQPZAD-INIZCTEOSA-N 1 3 305.441 2.284 20 0 DEADHO Brc1cccc([C@H]2CN(CCC3C[NH2+]C3)CCN2)c1 ZINC001235795557 1084531034 /nfs/dbraw/zinc/53/10/34/1084531034.db2.gz NNEJAMILFBUYRS-OAHLLOKOSA-N 1 3 324.266 2.005 20 0 DEADHO CC1(C)[NH2+][C@@H](CCN2CCN[C@@H](c3ccc(Cl)cc3)C2)CO1 ZINC001235787209 1084531077 /nfs/dbraw/zinc/53/10/77/1084531077.db2.gz AGKBGYCSXISHSJ-JKSUJKDBSA-N 1 3 323.868 2.401 20 0 DEADHO CC1(C)[NH2+][C@@H](CCN2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CO1 ZINC001235841482 1084543684 /nfs/dbraw/zinc/54/36/84/1084543684.db2.gz ZJWFTYMYSYHKAZ-BZSNNMDCSA-N 1 3 315.461 2.060 20 0 DEADHO COCCC[N@H+](Cc1ccc2c(c1)CCN2)C1CCNCC1 ZINC001235940046 1084568638 /nfs/dbraw/zinc/56/86/38/1084568638.db2.gz OBYRFHKMTNLFIN-UHFFFAOYSA-N 1 3 303.450 2.245 20 0 DEADHO COCCC[N@@H+](Cc1ccc2c(c1)CCN2)C1CCNCC1 ZINC001235940046 1084568647 /nfs/dbraw/zinc/56/86/47/1084568647.db2.gz OBYRFHKMTNLFIN-UHFFFAOYSA-N 1 3 303.450 2.245 20 0 DEADHO COCCCN(Cc1ccc2c(c1)CCN2)C1CC[NH2+]CC1 ZINC001235940046 1084568656 /nfs/dbraw/zinc/56/86/56/1084568656.db2.gz OBYRFHKMTNLFIN-UHFFFAOYSA-N 1 3 303.450 2.245 20 0 DEADHO Nc1ccc(CN2Cc3ccccc3C3(CC[NH2+]CC3)C2)cn1 ZINC001235974556 1084577659 /nfs/dbraw/zinc/57/76/59/1084577659.db2.gz RNZUQBUSEPCQET-UHFFFAOYSA-N 1 3 308.429 2.301 20 0 DEADHO Cc1ccc(OC(C)C)c(CN2CCC[C@@H](N3CC([NH3+])C3)C2)c1 ZINC001236079904 1084608548 /nfs/dbraw/zinc/60/85/48/1084608548.db2.gz TUYLBYSNEVYNKI-GOSISDBHSA-N 1 3 317.477 2.390 20 0 DEADHO C[C@@H]1CNCC(F)(F)[C@@H]1C[N@@H+]1CCNC[C@H]1c1cccs1 ZINC001236112413 1084615257 /nfs/dbraw/zinc/61/52/57/1084615257.db2.gz OUAFVTZSCCQBBK-UPJWGTAASA-N 1 3 315.433 2.185 20 0 DEADHO C[C@@H]1CNCC(F)(F)[C@@H]1C[N@H+]1CCNC[C@H]1c1cccs1 ZINC001236112413 1084615261 /nfs/dbraw/zinc/61/52/61/1084615261.db2.gz OUAFVTZSCCQBBK-UPJWGTAASA-N 1 3 315.433 2.185 20 0 DEADHO CCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCC2)C12CCC2 ZINC001078695652 1084828202 /nfs/dbraw/zinc/82/82/02/1084828202.db2.gz POCRYRSZOHZMFZ-LSDHHAIUSA-N 1 3 307.482 2.288 20 0 DEADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]CCCC2CCC2)C1 ZINC001486477263 1085356794 /nfs/dbraw/zinc/35/67/94/1085356794.db2.gz IMUWZGVWAZCCID-UHFFFAOYSA-N 1 3 304.438 2.112 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1=CC[N@H+](CC2CC2)CC1 ZINC001486521355 1085404025 /nfs/dbraw/zinc/40/40/25/1085404025.db2.gz XFCPPNKZVJTEGN-GASCZTMLSA-N 1 3 305.466 2.018 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1=CC[N@@H+](CC2CC2)CC1 ZINC001486521355 1085404030 /nfs/dbraw/zinc/40/40/30/1085404030.db2.gz XFCPPNKZVJTEGN-GASCZTMLSA-N 1 3 305.466 2.018 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccccc1)N(C)C ZINC000960715545 1085424741 /nfs/dbraw/zinc/42/47/41/1085424741.db2.gz CKZWNZXIQPXMEW-ZWKOTPCHSA-N 1 3 317.477 2.450 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccccc1)N(C)C ZINC000960715545 1085424746 /nfs/dbraw/zinc/42/47/46/1085424746.db2.gz CKZWNZXIQPXMEW-ZWKOTPCHSA-N 1 3 317.477 2.450 20 0 DEADHO CCC1([NH+]2CCCC2)CCN(C[C@H](C)CN2CCOCC2)CC1 ZINC001413040733 1085538756 /nfs/dbraw/zinc/53/87/56/1085538756.db2.gz IZQKMZLNLRAEDK-SFHVURJKSA-N 1 3 323.525 2.295 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC000961028836 1085542183 /nfs/dbraw/zinc/54/21/83/1085542183.db2.gz SWOQGESHHIXZTO-KRWDZBQOSA-N 1 3 303.450 2.305 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC000961028836 1085542189 /nfs/dbraw/zinc/54/21/89/1085542189.db2.gz SWOQGESHHIXZTO-KRWDZBQOSA-N 1 3 303.450 2.305 20 0 DEADHO CC[N@H+](C)C[C@H]1CCCN1C(=O)c1ccccc1CN(C)C ZINC000961027666 1085542228 /nfs/dbraw/zinc/54/22/28/1085542228.db2.gz OFNWOUUXZZUZLJ-MRXNPFEDSA-N 1 3 303.450 2.305 20 0 DEADHO CC[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccccc1CN(C)C ZINC000961027666 1085542234 /nfs/dbraw/zinc/54/22/34/1085542234.db2.gz OFNWOUUXZZUZLJ-MRXNPFEDSA-N 1 3 303.450 2.305 20 0 DEADHO C[N@@H+](Cc1ccccc1)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000961031568 1085543520 /nfs/dbraw/zinc/54/35/20/1085543520.db2.gz ZHGLSTXIAXDBJC-GOSISDBHSA-N 1 3 315.461 2.205 20 0 DEADHO C[N@H+](Cc1ccccc1)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000961031568 1085543529 /nfs/dbraw/zinc/54/35/29/1085543529.db2.gz ZHGLSTXIAXDBJC-GOSISDBHSA-N 1 3 315.461 2.205 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961180343 1085626410 /nfs/dbraw/zinc/62/64/10/1085626410.db2.gz GOYKCWGVJLAFAJ-DLBZAZTESA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961180343 1085626415 /nfs/dbraw/zinc/62/64/15/1085626415.db2.gz GOYKCWGVJLAFAJ-DLBZAZTESA-N 1 3 321.509 2.440 20 0 DEADHO CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961178268 1085627156 /nfs/dbraw/zinc/62/71/56/1085627156.db2.gz CIVVHHHENOEZGA-IAGOWNOFSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961178268 1085627162 /nfs/dbraw/zinc/62/71/62/1085627162.db2.gz CIVVHHHENOEZGA-IAGOWNOFSA-N 1 3 321.509 2.441 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1CC2(C1)CC([NH2+]CC1CCC1)C2 ZINC000965885882 1085674341 /nfs/dbraw/zinc/67/43/41/1085674341.db2.gz GJKJCZVDOIONJP-UHFFFAOYSA-N 1 3 316.449 2.078 20 0 DEADHO Cc1cc(C[NH2+]CC[C@H](C)NC(=O)CN2CC[C@H](C)C2)cs1 ZINC001273019810 1085980696 /nfs/dbraw/zinc/98/06/96/1085980696.db2.gz ZXUBHZLSKKAMOV-KBPBESRZSA-N 1 3 323.506 2.383 20 0 DEADHO CC1(C)CCN(CC(=O)NC2CC(C[NH2+]CC3CCC3)C2)C1 ZINC000962311294 1086063021 /nfs/dbraw/zinc/06/30/21/1086063021.db2.gz JUIYBXGITOLCER-UHFFFAOYSA-N 1 3 307.482 2.003 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1cc(C)cc(C)c1 ZINC001168755067 1086482192 /nfs/dbraw/zinc/48/21/92/1086482192.db2.gz HFFDRKIKXHZDRW-UHFFFAOYSA-N 1 3 305.466 2.241 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1ccc(CF)cc1 ZINC001168755276 1086499890 /nfs/dbraw/zinc/49/98/90/1086499890.db2.gz LPEZNWQYFLTNEG-UHFFFAOYSA-N 1 3 309.429 2.094 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1ccccc1Cl ZINC001168756199 1086516786 /nfs/dbraw/zinc/51/67/86/1086516786.db2.gz WSZBTHTUTUEKJT-UHFFFAOYSA-N 1 3 311.857 2.278 20 0 DEADHO CC(C)CN1C[C@]2(CC1=O)CCCCN2C[C@H]1CCC[N@H+](C)C1 ZINC001273143491 1086678170 /nfs/dbraw/zinc/67/81/70/1086678170.db2.gz HTLOJQVOFJOSIH-PKOBYXMFSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)CN1C[C@]2(CC1=O)CCCCN2C[C@H]1CCC[N@@H+](C)C1 ZINC001273143491 1086678172 /nfs/dbraw/zinc/67/81/72/1086678172.db2.gz HTLOJQVOFJOSIH-PKOBYXMFSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000711000655 1086692236 /nfs/dbraw/zinc/69/22/36/1086692236.db2.gz CNKJLCPFIUTHKY-DDBAPUKQSA-N 1 3 315.461 2.141 20 0 DEADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(CN3CCCC3)c1)C2 ZINC001649132966 1087011142 /nfs/dbraw/zinc/01/11/42/1087011142.db2.gz XEFULPQPFYYCLJ-SZMVWBNQSA-N 1 3 313.445 2.234 20 0 DEADHO CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1c1ccccc1F ZINC001079300489 1087813548 /nfs/dbraw/zinc/81/35/48/1087813548.db2.gz LEYLEBRXAWURFR-USXIJHARSA-N 1 3 321.440 2.070 20 0 DEADHO CC[N@H+](CC1CC1)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000957753368 1088599047 /nfs/dbraw/zinc/59/90/47/1088599047.db2.gz LSJLCVGKFJWRRR-INIZCTEOSA-N 1 3 321.509 2.299 20 0 DEADHO CC[N@@H+](CC1CC1)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000957753368 1088599060 /nfs/dbraw/zinc/59/90/60/1088599060.db2.gz LSJLCVGKFJWRRR-INIZCTEOSA-N 1 3 321.509 2.299 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)CN(C)CC(C)(C)C)[C@@H]2C1 ZINC001114839799 1089019563 /nfs/dbraw/zinc/01/95/63/1089019563.db2.gz GKMOTTLNOIRHBI-ZOQIZTMWSA-N 1 3 321.509 2.367 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)CN(C)CC(C)(C)C)[C@@H]2C1 ZINC001114839799 1089019579 /nfs/dbraw/zinc/01/95/79/1089019579.db2.gz GKMOTTLNOIRHBI-ZOQIZTMWSA-N 1 3 321.509 2.367 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC)C[C@H]1C ZINC001080755991 1089172484 /nfs/dbraw/zinc/17/24/84/1089172484.db2.gz FAIWOZXRLGOEGM-ZACQAIPSSA-N 1 3 309.498 2.488 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC)C[C@H]1C ZINC001080755991 1089172491 /nfs/dbraw/zinc/17/24/91/1089172491.db2.gz FAIWOZXRLGOEGM-ZACQAIPSSA-N 1 3 309.498 2.488 20 0 DEADHO CC[NH2+]C[C@H]1c2ccccc2CCN1C(=O)CN(C)C1CCC1 ZINC000958791788 1089187080 /nfs/dbraw/zinc/18/70/80/1089187080.db2.gz VYWBOMXLDQLSFS-SFHVURJKSA-N 1 3 315.461 2.206 20 0 DEADHO CC[NH2+]C[C@@H]1c2ccccc2CCN1C(=O)CN1CC[C@H](C)C1 ZINC000958803423 1089193599 /nfs/dbraw/zinc/19/35/99/1089193599.db2.gz TVBJUIBQTZUMPS-MAUKXSAKSA-N 1 3 315.461 2.064 20 0 DEADHO CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)C(C)(C)[NH3+] ZINC000719955214 1089420001 /nfs/dbraw/zinc/42/00/01/1089420001.db2.gz PNJBUZQEIIOFLT-MRXNPFEDSA-N 1 3 303.450 2.237 20 0 DEADHO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CC3)C[C@H]21)N1CCCCC1 ZINC000959872998 1089808406 /nfs/dbraw/zinc/80/84/06/1089808406.db2.gz OCYNWDCRUUMZNX-FVQHAEBGSA-N 1 3 319.493 2.097 20 0 DEADHO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CC3)C[C@H]21)N1CCCCC1 ZINC000959872998 1089808420 /nfs/dbraw/zinc/80/84/20/1089808420.db2.gz OCYNWDCRUUMZNX-FVQHAEBGSA-N 1 3 319.493 2.097 20 0 DEADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC1CCCCC1 ZINC001082559323 1090005849 /nfs/dbraw/zinc/00/58/49/1090005849.db2.gz BCSULEBCMDVNRF-ZTFGCOKTSA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2cccs2)C1)N(C)C ZINC001082589683 1090012175 /nfs/dbraw/zinc/01/21/75/1090012175.db2.gz KZZMJTUAQJOLCX-FVQBIDKESA-N 1 3 323.506 2.067 20 0 DEADHO CC(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001082783309 1090078141 /nfs/dbraw/zinc/07/81/41/1090078141.db2.gz PZRDGIOHOPMPRA-ZACQAIPSSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001084338499 1090271199 /nfs/dbraw/zinc/27/11/99/1090271199.db2.gz SPBWPUIBAAJXKP-IXDOHACOSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001084338499 1090271207 /nfs/dbraw/zinc/27/12/07/1090271207.db2.gz SPBWPUIBAAJXKP-IXDOHACOSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC001084406665 1090292055 /nfs/dbraw/zinc/29/20/55/1090292055.db2.gz VZQHXOCNDDCVHL-KBAYOESNSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC001084406665 1090292059 /nfs/dbraw/zinc/29/20/59/1090292059.db2.gz VZQHXOCNDDCVHL-KBAYOESNSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001084572063 1090332123 /nfs/dbraw/zinc/33/21/23/1090332123.db2.gz SMOSWKLTLXNHFY-IAGOWNOFSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001084572063 1090332133 /nfs/dbraw/zinc/33/21/33/1090332133.db2.gz SMOSWKLTLXNHFY-IAGOWNOFSA-N 1 3 321.509 2.440 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC(C)C)C[C@@H]2C1 ZINC001410183412 1090387120 /nfs/dbraw/zinc/38/71/20/1090387120.db2.gz LOFWDAGQCWYCKV-IXDOHACOSA-N 1 3 309.498 2.201 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC(C)C)C[C@@H]2C1 ZINC001410183412 1090387114 /nfs/dbraw/zinc/38/71/14/1090387114.db2.gz LOFWDAGQCWYCKV-IXDOHACOSA-N 1 3 309.498 2.201 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)[C@@H]2C1 ZINC001084852344 1090475449 /nfs/dbraw/zinc/47/54/49/1090475449.db2.gz UMZVOSNNYZOEKP-SJLPKXTDSA-N 1 3 315.461 2.305 20 0 DEADHO CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)[C@@H]2C1 ZINC001084852344 1090475453 /nfs/dbraw/zinc/47/54/53/1090475453.db2.gz UMZVOSNNYZOEKP-SJLPKXTDSA-N 1 3 315.461 2.305 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@H]2CCN(C(C)C)C[C@H]21)[NH+]1CCCCC1 ZINC001084853489 1090476784 /nfs/dbraw/zinc/47/67/84/1090476784.db2.gz UJAREZHZVGSPHM-KURKYZTESA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CC3CCC3)[C@H]2C1)N(C)C ZINC001084964642 1090550192 /nfs/dbraw/zinc/55/01/92/1090550192.db2.gz JURFHYFSCFMVKD-SQNIBIBYSA-N 1 3 321.509 2.296 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CC3CCC3)[C@H]2C1)N(C)C ZINC001084964642 1090550196 /nfs/dbraw/zinc/55/01/96/1090550196.db2.gz JURFHYFSCFMVKD-SQNIBIBYSA-N 1 3 321.509 2.296 20 0 DEADHO C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)NCc1ccccc1F ZINC001410433491 1090649708 /nfs/dbraw/zinc/64/97/08/1090649708.db2.gz IMKIAZKJFFFAHB-CQSZACIVSA-N 1 3 321.440 2.104 20 0 DEADHO CCCN(C(=O)C1CC[NH+](CC(C)C)CC1)[C@H]1CCN(C)C1 ZINC001412271491 1091265969 /nfs/dbraw/zinc/26/59/69/1091265969.db2.gz YFUZNRGLNJACRD-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C(=O)NC1(C2CC[NH+](CC3CC3)CC2)CC1)N(C)C ZINC001411251933 1091472980 /nfs/dbraw/zinc/47/29/80/1091472980.db2.gz OOPTUQMPULCBIL-INIZCTEOSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](C[NH2+]CCCc1ccccc1)NC(=O)CN1CC[C@H](C)C1 ZINC001274919343 1091478698 /nfs/dbraw/zinc/47/86/98/1091478698.db2.gz MMBCZYQQHSRHKT-DLBZAZTESA-N 1 3 317.477 2.055 20 0 DEADHO Cc1cc(CN2CCC3(C2)CC[NH+](CC2CC2)CC3)n(C)n1 ZINC001275138073 1091578824 /nfs/dbraw/zinc/57/88/24/1091578824.db2.gz IGVCRAPUUYQDQQ-UHFFFAOYSA-N 1 3 302.466 2.426 20 0 DEADHO Cc1c[nH]c(CN2CCC[C@]3(CC[N@@H+](CCN(C)C)C3)C2)c1C ZINC001276140329 1091593081 /nfs/dbraw/zinc/59/30/81/1091593081.db2.gz XETCVAPJQGPNJN-LJQANCHMSA-N 1 3 318.509 2.481 20 0 DEADHO Cc1c[nH]c(CN2CCC[C@]3(CC[N@H+](CCN(C)C)C3)C2)c1C ZINC001276140329 1091593090 /nfs/dbraw/zinc/59/30/90/1091593090.db2.gz XETCVAPJQGPNJN-LJQANCHMSA-N 1 3 318.509 2.481 20 0 DEADHO CN(C)CC[N@@H+]1CC[C@]2(C1)CCCN(CCC(F)(F)F)C2 ZINC001275165076 1091593630 /nfs/dbraw/zinc/59/36/30/1091593630.db2.gz XLYTWLOGJUXBEC-CQSZACIVSA-N 1 3 307.404 2.288 20 0 DEADHO CN(C)CC[N@H+]1CC[C@]2(C1)CCCN(CCC(F)(F)F)C2 ZINC001275165076 1091593640 /nfs/dbraw/zinc/59/36/40/1091593640.db2.gz XLYTWLOGJUXBEC-CQSZACIVSA-N 1 3 307.404 2.288 20 0 DEADHO C[N@H+]1CC[C@H]2CN(Cc3c[nH]nc3C(F)(F)F)C[C@H]2CC1 ZINC001276193624 1091676153 /nfs/dbraw/zinc/67/61/53/1091676153.db2.gz CODZXBBBWXXDIW-PHIMTYICSA-N 1 3 302.344 2.202 20 0 DEADHO C[N@@H+]1CC[C@H]2CN(Cc3c[nH]nc3C(F)(F)F)C[C@H]2CC1 ZINC001276193624 1091676160 /nfs/dbraw/zinc/67/61/60/1091676160.db2.gz CODZXBBBWXXDIW-PHIMTYICSA-N 1 3 302.344 2.202 20 0 DEADHO COC(=O)CCN(C)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000720057789 1091760030 /nfs/dbraw/zinc/76/00/30/1091760030.db2.gz WHQKLQKFXTWSPQ-QGZVFWFLSA-N 1 3 304.434 2.394 20 0 DEADHO COC(=O)CCN(C)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000720057789 1091760033 /nfs/dbraw/zinc/76/00/33/1091760033.db2.gz WHQKLQKFXTWSPQ-QGZVFWFLSA-N 1 3 304.434 2.394 20 0 DEADHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC1CCCCC1 ZINC001273508733 1091891809 /nfs/dbraw/zinc/89/18/09/1091891809.db2.gz DQLVIVKAYRYTQE-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC1CCCCC1 ZINC001273508733 1091891816 /nfs/dbraw/zinc/89/18/16/1091891816.db2.gz DQLVIVKAYRYTQE-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)CCN1CC[C@@]2(CCC[N@H+](CC(C)(C)C)CC2)C1=O ZINC001273533170 1091907701 /nfs/dbraw/zinc/90/77/01/1091907701.db2.gz USSRAWIEKVSUHI-SFHVURJKSA-N 1 3 309.498 2.299 20 0 DEADHO CN(C)CCN1CC[C@@]2(CCC[N@@H+](CC(C)(C)C)CC2)C1=O ZINC001273533170 1091907711 /nfs/dbraw/zinc/90/77/11/1091907711.db2.gz USSRAWIEKVSUHI-SFHVURJKSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCN(CC3CCCC3)CC2)C1 ZINC000948739008 1091908957 /nfs/dbraw/zinc/90/89/57/1091908957.db2.gz URBIFMTZARBFHW-GOSISDBHSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCN(CC3CCCC3)CC2)C1 ZINC000948739008 1091908967 /nfs/dbraw/zinc/90/89/67/1091908967.db2.gz URBIFMTZARBFHW-GOSISDBHSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)[C@@H]2CCC[N@H+](CCC3CC3)CC2)C1 ZINC000948767656 1091925106 /nfs/dbraw/zinc/92/51/06/1091925106.db2.gz YLVYWELIBDKCNC-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)[C@@H]2CCC[N@@H+](CCC3CC3)CC2)C1 ZINC000948767656 1091925115 /nfs/dbraw/zinc/92/51/15/1091925115.db2.gz YLVYWELIBDKCNC-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)[C@@H]2CCC[N@H+](CC3CC3)CC2)C1 ZINC000948779868 1091933419 /nfs/dbraw/zinc/93/34/19/1091933419.db2.gz WPCIMBVXKSVXAG-NVXWUHKLSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)[C@@H]2CCC[N@@H+](CC3CC3)CC2)C1 ZINC000948779868 1091933424 /nfs/dbraw/zinc/93/34/24/1091933424.db2.gz WPCIMBVXKSVXAG-NVXWUHKLSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)c2cccc(CC[NH+](C)C)c2)CN1C1CC1 ZINC001411895648 1092309770 /nfs/dbraw/zinc/30/97/70/1092309770.db2.gz GHPYLLDAAYJMIB-RHSMWYFYSA-N 1 3 315.461 2.146 20 0 DEADHO CC[C@H](C(=O)NCCC[N@H+](C)Cc1cccc(C)c1)N(C)C ZINC001490213997 1093227623 /nfs/dbraw/zinc/22/76/23/1093227623.db2.gz OEPLRCJHEAUPOP-QGZVFWFLSA-N 1 3 305.466 2.273 20 0 DEADHO CC[C@H](C(=O)NCCC[N@@H+](C)Cc1cccc(C)c1)N(C)C ZINC001490213997 1093227628 /nfs/dbraw/zinc/22/76/28/1093227628.db2.gz OEPLRCJHEAUPOP-QGZVFWFLSA-N 1 3 305.466 2.273 20 0 DEADHO Cc1ccc(C[N@@H+](C)CCCNC(=O)CN(C)C(C)C)cc1 ZINC001490282117 1093275385 /nfs/dbraw/zinc/27/53/85/1093275385.db2.gz RLTINUSELBELRG-UHFFFAOYSA-N 1 3 305.466 2.273 20 0 DEADHO Cc1ccc(C[N@H+](C)CCCNC(=O)CN(C)C(C)C)cc1 ZINC001490282117 1093275388 /nfs/dbraw/zinc/27/53/88/1093275388.db2.gz RLTINUSELBELRG-UHFFFAOYSA-N 1 3 305.466 2.273 20 0 DEADHO O=C(C[C@H]1NCc2ccccc21)N1CCCC[C@]12CCC[NH2+]C2 ZINC001649168303 1093735667 /nfs/dbraw/zinc/73/56/67/1093735667.db2.gz VGCQSRLDQJZOCS-IEBWSBKVSA-N 1 3 313.445 2.356 20 0 DEADHO Cc1cc(C)c(CN2CCCC3(CN(CC[NH+](C)C)C3)C2)cn1 ZINC001276829930 1138329101 /nfs/dbraw/zinc/32/91/01/1138329101.db2.gz CXFZSUDCUSTESE-UHFFFAOYSA-N 1 3 316.493 2.158 20 0 DEADHO Clc1ccn2cc(CN3C[C@@H]4CC[NH2+]CC[C@@H]4C3)nc2c1 ZINC001236321342 1138351837 /nfs/dbraw/zinc/35/18/37/1138351837.db2.gz QDHLPMAGMUGAES-BETUJISGSA-N 1 3 304.825 2.419 20 0 DEADHO CCOC(=O)[C@H]1CN(Cc2cccc(C)c2F)CCC12C[NH2+]C2 ZINC001237431377 1138622344 /nfs/dbraw/zinc/62/23/44/1138622344.db2.gz RQSMTDCQQDETBY-OAHLLOKOSA-N 1 3 320.408 2.109 20 0 DEADHO S=C(NC[C@H]1CCC2(CCNCC2)[NH2+]1)NC1CCCCCC1 ZINC001239362748 1139029791 /nfs/dbraw/zinc/02/97/91/1139029791.db2.gz JXMXMTYTFXTPMU-OAHLLOKOSA-N 1 3 324.538 2.048 20 0 DEADHO Cc1cnc(-c2cccc(CN3CCN(C)CC3)c2)c(C[NH3+])c1 ZINC001240287269 1139320041 /nfs/dbraw/zinc/32/00/41/1139320041.db2.gz BRATZKVJOMOZOT-UHFFFAOYSA-N 1 3 310.445 2.263 20 0 DEADHO c1ccc(CN2CC=C(c3cc4c(nn3)CC[NH2+]C4)CC2)cc1 ZINC001241502306 1139822169 /nfs/dbraw/zinc/82/21/69/1139822169.db2.gz UEMNNVORCFFUSU-UHFFFAOYSA-N 1 3 306.413 2.412 20 0 DEADHO CC(C)c1ccc(OC[C@@H](O)C[NH2+]CC2(N)CCCC2)cc1 ZINC001245974570 1140840024 /nfs/dbraw/zinc/84/00/24/1140840024.db2.gz MCWJVFMFDMEMLW-INIZCTEOSA-N 1 3 306.450 2.411 20 0 DEADHO CCCC[C@H](CC)COC[C@@H](O)CNC[C@H]1CCC[NH2+]C1 ZINC001245979963 1140840781 /nfs/dbraw/zinc/84/07/81/1140840781.db2.gz DBBNRTSEHXJXSF-ULQDDVLXSA-N 1 3 300.487 2.170 20 0 DEADHO C[C@H]1CN(C[C@H](O)COc2cccc3ccccc32)C[C@H]1C[NH3+] ZINC001246018276 1140846183 /nfs/dbraw/zinc/84/61/83/1140846183.db2.gz VKLHATOTENTNDX-UAGQMJEPSA-N 1 3 314.429 2.106 20 0 DEADHO C[C@@H]1Cc2ccccc2C[N@@H+]1C[C@@H](O)[C@@H](N)Cc1ccccc1 ZINC001246049368 1140853668 /nfs/dbraw/zinc/85/36/68/1140853668.db2.gz QTNVVZFREQTSBQ-UIAACRFSSA-N 1 3 310.441 2.364 20 0 DEADHO C[C@@H]1Cc2ccccc2C[N@H+]1C[C@@H](O)[C@@H](N)Cc1ccccc1 ZINC001246049368 1140853670 /nfs/dbraw/zinc/85/36/70/1140853670.db2.gz QTNVVZFREQTSBQ-UIAACRFSSA-N 1 3 310.441 2.364 20 0 DEADHO CCCC[C@H](Cc1ccccc1)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246084506 1140858506 /nfs/dbraw/zinc/85/85/06/1140858506.db2.gz TUTFEJWORZWCJK-FGTMMUONSA-N 1 3 308.441 2.440 20 0 DEADHO O[C@@]1(CN[C@H]2CCc3cccc(Cl)c3C2)CCCC[NH2+]C1 ZINC001246096440 1140861084 /nfs/dbraw/zinc/86/10/84/1140861084.db2.gz LLRJSLVVOUYZMX-YOEHRIQHSA-N 1 3 308.853 2.292 20 0 DEADHO Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@@H](F)CN2)CCN1 ZINC001246105280 1140861339 /nfs/dbraw/zinc/86/13/39/1140861339.db2.gz CXGHQTXKFBKKMF-AESZEHBQSA-N 1 3 309.404 2.217 20 0 DEADHO Cc1cc(F)cc(CN2CCC([NH2+][C@H]3CCCNC3)CC2)c1 ZINC001246361527 1140887882 /nfs/dbraw/zinc/88/78/82/1140887882.db2.gz YEARUTUDIGRXEP-SFHVURJKSA-N 1 3 305.441 2.440 20 0 DEADHO CCCC[C@H](Cc1ccccc1)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246416802 1140895977 /nfs/dbraw/zinc/89/59/77/1140895977.db2.gz LZCGHMQNCAPYPK-SJORKVTESA-N 1 3 305.466 2.360 20 0 DEADHO CC1(C)C[C@H](N2C[C@@H](F)[C@@H](N)C2)CC[N@@H+]1Cc1ccccc1 ZINC001246528554 1140937113 /nfs/dbraw/zinc/93/71/13/1140937113.db2.gz YTUJLXLGIWJWIL-ZACQAIPSSA-N 1 3 305.441 2.411 20 0 DEADHO CC1(C)C[C@H](N2C[C@@H](F)[C@@H](N)C2)CC[N@H+]1Cc1ccccc1 ZINC001246528554 1140937127 /nfs/dbraw/zinc/93/71/27/1140937127.db2.gz YTUJLXLGIWJWIL-ZACQAIPSSA-N 1 3 305.441 2.411 20 0 DEADHO C[C@@H]1CN(C2CCC(OC(=O)c3ccccc3)CC2)C[C@H]1[NH3+] ZINC001246568281 1140971552 /nfs/dbraw/zinc/97/15/52/1140971552.db2.gz QLTXEIPLDFHRHW-LHUBUQBQSA-N 1 3 302.418 2.434 20 0 DEADHO CCCCC[C@H](CCC)[N@@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246625967 1141011231 /nfs/dbraw/zinc/01/12/31/1141011231.db2.gz IQMZWNXNGNTIFG-MAUKXSAKSA-N 1 3 307.482 2.147 20 0 DEADHO CCCCC[C@H](CCC)[N@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246625967 1141011239 /nfs/dbraw/zinc/01/12/39/1141011239.db2.gz IQMZWNXNGNTIFG-MAUKXSAKSA-N 1 3 307.482 2.147 20 0 DEADHO CCOC(=O)c1ccc(C[C@H](C)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001246646695 1141021324 /nfs/dbraw/zinc/02/13/24/1141021324.db2.gz HIINSSHOUXCHOH-QGTPRVQTSA-N 1 3 316.445 2.336 20 0 DEADHO C[C@H]1CC[C@H]([N@@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)CN1 ZINC001246758622 1141052700 /nfs/dbraw/zinc/05/27/00/1141052700.db2.gz ONJKLCRKDDZAFL-WZGPROSRSA-N 1 3 322.493 2.282 20 0 DEADHO C[C@H]1CC[C@H]([N@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)CN1 ZINC001246758622 1141052710 /nfs/dbraw/zinc/05/27/10/1141052710.db2.gz ONJKLCRKDDZAFL-WZGPROSRSA-N 1 3 322.493 2.282 20 0 DEADHO Cc1cc(F)ccc1[C@@H]1C[C@@H](N2CC[C@@H](F)[C@@H](N)C2)CC[NH2+]1 ZINC001246822326 1141075382 /nfs/dbraw/zinc/07/53/82/1141075382.db2.gz YOPRFXFUFNCSFA-ORQFMDKSSA-N 1 3 309.404 2.298 20 0 DEADHO C[C@@H]1C[C@H](N2CCCN(Cc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001246824374 1141077839 /nfs/dbraw/zinc/07/78/39/1141077839.db2.gz RMHVOUCFLWUDPS-CRAIPNDOSA-N 1 3 305.441 2.474 20 0 DEADHO F[C@@H]1CNCC[C@H]1N(Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246834234 1141079424 /nfs/dbraw/zinc/07/94/24/1141079424.db2.gz OIRCJTGAXCQOOC-YZYRWKSTSA-N 1 3 317.452 2.472 20 0 DEADHO COc1cc2c(cc1OC)[C@@H](CN(C)[C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246873780 1141097015 /nfs/dbraw/zinc/09/70/15/1141097015.db2.gz ATUAKPXABBRZGM-NWANDNLSSA-N 1 3 304.434 2.416 20 0 DEADHO COc1cc2c(cc1OC)[C@@H](C[N@H+](C)[C@@H]1CCN[C@@H](C)C1)C2 ZINC001246873780 1141097021 /nfs/dbraw/zinc/09/70/21/1141097021.db2.gz ATUAKPXABBRZGM-NWANDNLSSA-N 1 3 304.434 2.416 20 0 DEADHO COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)[C@@H]1CCN[C@@H](C)C1)C2 ZINC001246873780 1141097028 /nfs/dbraw/zinc/09/70/28/1141097028.db2.gz ATUAKPXABBRZGM-NWANDNLSSA-N 1 3 304.434 2.416 20 0 DEADHO O=C1C[C@@H](N(Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)CCN1 ZINC001246946288 1141163455 /nfs/dbraw/zinc/16/34/55/1141163455.db2.gz KRRWIUSTJOXXKY-INIZCTEOSA-N 1 3 321.852 2.173 20 0 DEADHO O=C1C[C@@H]([N@H+](Cc2ccc(Cl)cc2)C2CCNCC2)CCN1 ZINC001246946288 1141163498 /nfs/dbraw/zinc/16/34/98/1141163498.db2.gz KRRWIUSTJOXXKY-INIZCTEOSA-N 1 3 321.852 2.173 20 0 DEADHO O=C1C[C@@H]([N@@H+](Cc2ccc(Cl)cc2)C2CCNCC2)CCN1 ZINC001246946288 1141163534 /nfs/dbraw/zinc/16/35/34/1141163534.db2.gz KRRWIUSTJOXXKY-INIZCTEOSA-N 1 3 321.852 2.173 20 0 DEADHO FC(F)(F)[C@@H]1C[C@@H]([N@H+](C[C@@H]2CCCNC2)C2CC2)CCN1 ZINC001246975888 1141206606 /nfs/dbraw/zinc/20/66/06/1141206606.db2.gz UJCXSOCAXRQJHC-XBFCOCLRSA-N 1 3 305.388 2.133 20 0 DEADHO FC(F)(F)[C@@H]1C[C@@H]([N@@H+](C[C@@H]2CCCNC2)C2CC2)CCN1 ZINC001246975888 1141206626 /nfs/dbraw/zinc/20/66/26/1141206626.db2.gz UJCXSOCAXRQJHC-XBFCOCLRSA-N 1 3 305.388 2.133 20 0 DEADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NCc1ccnn1-c1ccncc1 ZINC001414069313 1141315656 /nfs/dbraw/zinc/31/56/56/1141315656.db2.gz BKFPYOORBIDBAB-HZPDHXFCSA-N 1 3 313.449 2.477 20 0 DEADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NCc1ccnn1-c1ccncc1 ZINC001414069313 1141315660 /nfs/dbraw/zinc/31/56/60/1141315660.db2.gz BKFPYOORBIDBAB-HZPDHXFCSA-N 1 3 313.449 2.477 20 0 DEADHO CN(C)Cc1ccc(-c2noc(C[C@]3(C)CC[NH2+]C3)n2)cc1 ZINC001247800367 1141521926 /nfs/dbraw/zinc/52/19/26/1141521926.db2.gz WQPXZMPWLYHORD-KRWDZBQOSA-N 1 3 300.406 2.340 20 0 DEADHO Fc1ccc(-c2noc(C34CNCC3C[NH2+]C4)n2)c2ccccc12 ZINC001247859947 1141565541 /nfs/dbraw/zinc/56/55/41/1141565541.db2.gz WBHBVPAMBCYRMZ-UHFFFAOYSA-N 1 3 324.359 2.089 20 0 DEADHO CC[C@@H](C(=O)N(C)CCC[NH2+][C@H]1CCc2ccccc21)N(C)C ZINC001322701175 1141690445 /nfs/dbraw/zinc/69/04/45/1141690445.db2.gz UXVKUAANXNIAAM-ROUUACIJSA-N 1 3 317.477 2.452 20 0 DEADHO CC/C=C/CCN1CC[C@@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001323246037 1141832379 /nfs/dbraw/zinc/83/23/79/1141832379.db2.gz KUFOFKKYOWLIIZ-ADDHZHGLSA-N 1 3 307.482 2.408 20 0 DEADHO CC/C=C/CCN1CC[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001323246037 1141832380 /nfs/dbraw/zinc/83/23/80/1141832380.db2.gz KUFOFKKYOWLIIZ-ADDHZHGLSA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)[C@H](C(=O)NCC1([NH2+]CCCF)CC1)N1CCCCC1 ZINC001323617218 1141870606 /nfs/dbraw/zinc/87/06/06/1141870606.db2.gz UCXKELZZEMVJKJ-OAHLLOKOSA-N 1 3 313.461 2.095 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCC2CC2)C1 ZINC001278582406 1142250695 /nfs/dbraw/zinc/25/06/95/1142250695.db2.gz LTKKYYOYGRMQLV-HKUYNNGSSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)CN1CCC([NH2+]C[C@@H](O)COc2ccccc2)CC1 ZINC001251247707 1142406129 /nfs/dbraw/zinc/40/61/29/1142406129.db2.gz MZAMBMLWCFETGA-QGZVFWFLSA-N 1 3 306.450 2.136 20 0 DEADHO CC(C)[N@H+](C)CCNCCC(=O)Nc1ccc(N(C)C)cc1 ZINC001336771611 1142566730 /nfs/dbraw/zinc/56/67/30/1142566730.db2.gz CVRNLIQPMRAAOW-UHFFFAOYSA-N 1 3 306.454 2.011 20 0 DEADHO CC(C)[N@@H+](C)CCNCCC(=O)Nc1ccc(N(C)C)cc1 ZINC001336771611 1142566742 /nfs/dbraw/zinc/56/67/42/1142566742.db2.gz CVRNLIQPMRAAOW-UHFFFAOYSA-N 1 3 306.454 2.011 20 0 DEADHO CCOC[C@@H](O)C[NH2+]CC1CCN(Cc2ccccc2F)CC1 ZINC001252048465 1142610682 /nfs/dbraw/zinc/61/06/82/1142610682.db2.gz ZAKWNATWOGNDMI-KRWDZBQOSA-N 1 3 324.440 2.025 20 0 DEADHO CCOC[C@H](O)C[NH2+]CC1CCN(Cc2ccccc2F)CC1 ZINC001252048466 1142614012 /nfs/dbraw/zinc/61/40/12/1142614012.db2.gz ZAKWNATWOGNDMI-QGZVFWFLSA-N 1 3 324.440 2.025 20 0 DEADHO CCCC[C@@H](O)C[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001252117000 1142647680 /nfs/dbraw/zinc/64/76/80/1142647680.db2.gz AXSMDVCWUARCRM-GOSISDBHSA-N 1 3 305.466 2.434 20 0 DEADHO CC(C)=CC[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC001278646127 1142650278 /nfs/dbraw/zinc/65/02/78/1142650278.db2.gz ZAHGGEPOHSCXSX-INIZCTEOSA-N 1 3 307.482 2.264 20 0 DEADHO CCN(CC)C[C@@H](O)C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC001253193163 1142851450 /nfs/dbraw/zinc/85/14/50/1142851450.db2.gz DSMSSBLMYCUSQA-GOSISDBHSA-N 1 3 306.450 2.274 20 0 DEADHO CC[NH+](CC)C[C@H](O)CNC[C@@H](c1ccccc1)N1CCCC1 ZINC001253202932 1142853516 /nfs/dbraw/zinc/85/35/16/1142853516.db2.gz COHROQPVQBJTHQ-MOPGFXCFSA-N 1 3 319.493 2.116 20 0 DEADHO CC[NH+](CC)C[C@@H](O)CNCCc1c[nH]c2ccc(OC)cc12 ZINC001253203674 1142853720 /nfs/dbraw/zinc/85/37/20/1142853720.db2.gz WHKKRHLNXNZHAU-HNNXBMFYSA-N 1 3 319.449 2.011 20 0 DEADHO CCN(CCC[NH+](C)C)C[C@@H](O)CCOCc1ccccc1 ZINC001253282957 1142861097 /nfs/dbraw/zinc/86/10/97/1142861097.db2.gz ZRFUNIHWTGDLFV-SFHVURJKSA-N 1 3 308.466 2.228 20 0 DEADHO COc1ccc2[nH]cc(CCNC[C@H](O)C[NH2+]C(C)(C)C)c2c1 ZINC001253405479 1142869483 /nfs/dbraw/zinc/86/94/83/1142869483.db2.gz DMIHIPZFFMGZAS-AWEZNQCLSA-N 1 3 319.449 2.058 20 0 DEADHO Cc1oncc1CNCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254029659 1143028610 /nfs/dbraw/zinc/02/86/10/1143028610.db2.gz KWQWPAQQSZKYFP-UHFFFAOYSA-N 1 3 315.417 2.100 20 0 DEADHO C[N@@H+]1CCC[C@H](N2CCC(NC(=O)N3CCCCC3)CC2)CC1 ZINC001254532656 1143239402 /nfs/dbraw/zinc/23/94/02/1143239402.db2.gz VXWKRRVYTLILLY-KRWDZBQOSA-N 1 3 322.497 2.131 20 0 DEADHO C[N@H+]1CCC[C@H](N2CCC(NC(=O)N3CCCCC3)CC2)CC1 ZINC001254532656 1143239408 /nfs/dbraw/zinc/23/94/08/1143239408.db2.gz VXWKRRVYTLILLY-KRWDZBQOSA-N 1 3 322.497 2.131 20 0 DEADHO F[C@H]1CN([C@H]2CC3CC[NH+](CC3)C2)CC[C@@H]1N1CCCCC1 ZINC001254866731 1143345288 /nfs/dbraw/zinc/34/52/88/1143345288.db2.gz STWNAYZPRVQYLS-BZSNNMDCSA-N 1 3 309.473 2.369 20 0 DEADHO Fc1cccnc1N(C1CC[NH2+]CC1)[C@H]1CC2CCN(CC2)C1 ZINC001254867712 1143348556 /nfs/dbraw/zinc/34/85/56/1143348556.db2.gz LARWYLPEOCBVOE-INIZCTEOSA-N 1 3 318.440 2.263 20 0 DEADHO CC(=O)OCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001255134492 1143438746 /nfs/dbraw/zinc/43/87/46/1143438746.db2.gz CERBAUXCVIVGKQ-NNZMDNLPSA-N 1 3 302.418 2.335 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001340961547 1143507959 /nfs/dbraw/zinc/50/79/59/1143507959.db2.gz VPKNYDXTERVOGQ-OLZOCXBDSA-N 1 3 323.403 2.237 20 0 DEADHO CCCC[C@@H](C)[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001255325603 1143560090 /nfs/dbraw/zinc/56/00/90/1143560090.db2.gz LDXMIWPVTLZECL-MRXNPFEDSA-N 1 3 319.493 2.389 20 0 DEADHO CCCC[C@@H](C)[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001255325603 1143560099 /nfs/dbraw/zinc/56/00/99/1143560099.db2.gz LDXMIWPVTLZECL-MRXNPFEDSA-N 1 3 319.493 2.389 20 0 DEADHO CN1CC2(C1)CC[NH+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)CC2 ZINC001255609134 1143779866 /nfs/dbraw/zinc/77/98/66/1143779866.db2.gz QVAKDISOUASIAE-CQSZACIVSA-N 1 3 309.454 2.023 20 0 DEADHO CC[NH+](CC)CC[C@H](C)N[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001255950737 1143816197 /nfs/dbraw/zinc/81/61/97/1143816197.db2.gz KKYAGTHGKUVUCD-QWHCGFSZSA-N 1 3 323.403 2.250 20 0 DEADHO CCOC(=O)CCc1ccc(CNC2CC[NH+](C)CC2)cc1 ZINC001256198113 1143834186 /nfs/dbraw/zinc/83/41/86/1143834186.db2.gz AZIGJPVGVPAHPW-UHFFFAOYSA-N 1 3 304.434 2.366 20 0 DEADHO COCC1(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)Cc2ccccc2C1 ZINC001256621145 1143857757 /nfs/dbraw/zinc/85/77/57/1143857757.db2.gz KZVDITHGTLSFHK-AYHJJNSGSA-N 1 3 300.446 2.385 20 0 DEADHO COCC1(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)Cc2ccccc2C1 ZINC001256621145 1143857758 /nfs/dbraw/zinc/85/77/58/1143857758.db2.gz KZVDITHGTLSFHK-AYHJJNSGSA-N 1 3 300.446 2.385 20 0 DEADHO [NH3+][C@@H]1Cc2ccccc2N(C2CCC(N3CCOCC3)CC2)C1 ZINC001256676649 1143861321 /nfs/dbraw/zinc/86/13/21/1143861321.db2.gz GGJDPEOBYAMNEJ-WWDZGPRUSA-N 1 3 315.461 2.020 20 0 DEADHO CCCCN(CC)CC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256678498 1143861539 /nfs/dbraw/zinc/86/15/39/1143861539.db2.gz NCHZXHFLFUZHSE-UHFFFAOYSA-N 1 3 311.514 2.341 20 0 DEADHO O[C@@H](C[NH2+]C1CCC(N2CCOCC2)CC1)c1ccccc1F ZINC001256682738 1143861896 /nfs/dbraw/zinc/86/18/96/1143861896.db2.gz OKHNUVONRJRCKR-JMLCCBQJSA-N 1 3 322.424 2.092 20 0 DEADHO CC(C)[NH+]1CCC(N[C@@H]2CCN(Cc3ccccn3)C2)CC1 ZINC001257211846 1143893204 /nfs/dbraw/zinc/89/32/04/1143893204.db2.gz OPRIJHFJCPYMLX-GOSISDBHSA-N 1 3 302.466 2.118 20 0 DEADHO CCC[NH+]1CCC(N2CC[C@]3(C2)c2ccccc2NC3=O)CC1 ZINC001258773365 1144040114 /nfs/dbraw/zinc/04/01/14/1144040114.db2.gz HCGXXYBYRRPOIM-IBGZPJMESA-N 1 3 313.445 2.457 20 0 DEADHO C[C@@H]1CCC[C@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)C1 ZINC001258825829 1144045372 /nfs/dbraw/zinc/04/53/72/1144045372.db2.gz YOJPAWSRJGHHIS-ZBRFXRBCSA-N 1 3 317.481 2.251 20 0 DEADHO C[C@@H]1CCC[C@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)C1 ZINC001258825829 1144045375 /nfs/dbraw/zinc/04/53/75/1144045375.db2.gz YOJPAWSRJGHHIS-ZBRFXRBCSA-N 1 3 317.481 2.251 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC001261500568 1144252826 /nfs/dbraw/zinc/25/28/26/1144252826.db2.gz XBWPYGGKDRPLBC-KGLIPLIRSA-N 1 3 324.856 2.034 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC001261500568 1144252829 /nfs/dbraw/zinc/25/28/29/1144252829.db2.gz XBWPYGGKDRPLBC-KGLIPLIRSA-N 1 3 324.856 2.034 20 0 DEADHO Cc1ccc(C[N@@H+](C)CCCNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001265037000 1144629923 /nfs/dbraw/zinc/62/99/23/1144629923.db2.gz OMCREDXWFSCOKV-KRWDZBQOSA-N 1 3 317.477 2.275 20 0 DEADHO Cc1ccc(C[N@H+](C)CCCNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001265037000 1144629925 /nfs/dbraw/zinc/62/99/25/1144629925.db2.gz OMCREDXWFSCOKV-KRWDZBQOSA-N 1 3 317.477 2.275 20 0 DEADHO CC[N@H+](CCCNC(=O)CN1CC[C@@H](C)C1)Cc1ccccc1 ZINC001265134461 1144651440 /nfs/dbraw/zinc/65/14/40/1144651440.db2.gz VPYCIMJWLBEUPF-QGZVFWFLSA-N 1 3 317.477 2.357 20 0 DEADHO CC[N@@H+](CCCNC(=O)CN1CC[C@@H](C)C1)Cc1ccccc1 ZINC001265134461 1144651442 /nfs/dbraw/zinc/65/14/42/1144651442.db2.gz VPYCIMJWLBEUPF-QGZVFWFLSA-N 1 3 317.477 2.357 20 0 DEADHO CCCCC[N@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001265396811 1144702069 /nfs/dbraw/zinc/70/20/69/1144702069.db2.gz LVHOWUNEQCDFFH-OAHLLOKOSA-N 1 3 306.454 2.313 20 0 DEADHO CCCCC[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001265396811 1144702070 /nfs/dbraw/zinc/70/20/70/1144702070.db2.gz LVHOWUNEQCDFFH-OAHLLOKOSA-N 1 3 306.454 2.313 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[NH2+]CCCC1CCCC1 ZINC001265856533 1144747729 /nfs/dbraw/zinc/74/77/29/1144747729.db2.gz PNJUBCRBCJRYEG-ZDUSSCGKSA-N 1 3 306.454 2.325 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001266075773 1144803118 /nfs/dbraw/zinc/80/31/18/1144803118.db2.gz RKMLUXYDPUKNIK-HUUCEWRRSA-N 1 3 304.438 2.244 20 0 DEADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)CC1=CCCCC1 ZINC001282398279 1145060696 /nfs/dbraw/zinc/06/06/96/1145060696.db2.gz LMULFILTOOHKAR-OAHLLOKOSA-N 1 3 307.482 2.408 20 0 DEADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)CC1=CCCCC1 ZINC001282398279 1145060700 /nfs/dbraw/zinc/06/07/00/1145060700.db2.gz LMULFILTOOHKAR-OAHLLOKOSA-N 1 3 307.482 2.408 20 0 DEADHO C[C@@H](NC(=O)CN1CC[C@@H](C)C1)C1C[NH+](CC2=CCCCC2)C1 ZINC001282745175 1145160155 /nfs/dbraw/zinc/16/01/55/1145160155.db2.gz VDQGSKLVMJIGJL-HZPDHXFCSA-N 1 3 319.493 2.265 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC001364521243 1145315169 /nfs/dbraw/zinc/31/51/69/1145315169.db2.gz AWJMTCIOYHLYOX-SQNIBIBYSA-N 1 3 315.461 2.280 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC001364521243 1145315175 /nfs/dbraw/zinc/31/51/75/1145315175.db2.gz AWJMTCIOYHLYOX-SQNIBIBYSA-N 1 3 315.461 2.280 20 0 DEADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2ccc3c[nH]nc3c2)CC1 ZINC001364615050 1145380547 /nfs/dbraw/zinc/38/05/47/1145380547.db2.gz CKDRKGQUHMQWDI-ZWKOTPCHSA-N 1 3 314.433 2.030 20 0 DEADHO COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]CC[C@@H](C)N3CCCCC3)[C@@H]2C1 ZINC001364952348 1145708454 /nfs/dbraw/zinc/70/84/54/1145708454.db2.gz BYFJYJTUSHSBRY-HHARLNAUSA-N 1 3 308.466 2.428 20 0 DEADHO COC(=O)[C@@H]1C[C@@H]2C[C@@H]([NH2+]CC(C)(C)CN3CCCC3)[C@@H]2C1 ZINC001365596148 1145899206 /nfs/dbraw/zinc/89/92/06/1145899206.db2.gz LLSCKPCFKBTEFD-KLHDSHLOSA-N 1 3 308.466 2.286 20 0 DEADHO CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001491827703 1146905580 /nfs/dbraw/zinc/90/55/80/1146905580.db2.gz MUQVIBXDHUXXPI-JOGGYFKDSA-N 1 3 307.482 2.265 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1)N(C)C ZINC001366137478 1147073903 /nfs/dbraw/zinc/07/39/03/1147073903.db2.gz WOILTGWDNSFLLK-DZUCGIPZSA-N 1 3 303.450 2.325 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+]Cc1cc(F)ccc1C ZINC001366347081 1147226968 /nfs/dbraw/zinc/22/69/68/1147226968.db2.gz OEFOHSPBSQXHIO-CQSZACIVSA-N 1 3 309.429 2.070 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001366387796 1147247263 /nfs/dbraw/zinc/24/72/63/1147247263.db2.gz JOMCUQNURXMEBS-JCYILVPMSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001366480998 1147303146 /nfs/dbraw/zinc/30/31/46/1147303146.db2.gz UFRRVRYQNXIQDP-XJKSGUPXSA-N 1 3 309.429 2.150 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]C/C=C/Cl ZINC001366515861 1147321589 /nfs/dbraw/zinc/32/15/89/1147321589.db2.gz ZUTYIICQJLEODZ-VAIDBEGPSA-N 1 3 301.862 2.098 20 0 DEADHO CN(C)C1(C(=O)NCCC[N@H+](C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCC1 ZINC001316829811 1147610452 /nfs/dbraw/zinc/61/04/52/1147610452.db2.gz KBRCZDQTJCBZLM-ZACQAIPSSA-N 1 3 321.509 2.345 20 0 DEADHO CN(C)C1(C(=O)NCCC[N@@H+](C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCC1 ZINC001316829811 1147610453 /nfs/dbraw/zinc/61/04/53/1147610453.db2.gz KBRCZDQTJCBZLM-ZACQAIPSSA-N 1 3 321.509 2.345 20 0 DEADHO CN(CC(=O)NCC1C[NH+](CC2CCCCCC2)C1)C1CCC1 ZINC001366968140 1147626647 /nfs/dbraw/zinc/62/66/47/1147626647.db2.gz CEVNDOQXXKOQAA-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN(C)CC(=O)NCC1C[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001366984327 1147628551 /nfs/dbraw/zinc/62/85/51/1147628551.db2.gz GUDYABLOTZANNH-GOSISDBHSA-N 1 3 315.461 2.064 20 0 DEADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(F)cc1 ZINC001367106493 1147650703 /nfs/dbraw/zinc/65/07/03/1147650703.db2.gz ZDOBQNOVSBHFDG-MRXNPFEDSA-N 1 3 321.440 2.294 20 0 DEADHO CC[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CCC(F)(F)F ZINC001367113919 1147651867 /nfs/dbraw/zinc/65/18/67/1147651867.db2.gz OYKGFJSKQSNZAE-GFCCVEGCSA-N 1 3 323.403 2.298 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC1CCN(CCF)CC1 ZINC001367211871 1147664859 /nfs/dbraw/zinc/66/48/59/1147664859.db2.gz FNOIZUINCQENIS-GASCZTMLSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC1CCN(CCF)CC1 ZINC001367211871 1147664861 /nfs/dbraw/zinc/66/48/61/1147664861.db2.gz FNOIZUINCQENIS-GASCZTMLSA-N 1 3 313.461 2.047 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001317169319 1147669569 /nfs/dbraw/zinc/66/95/69/1147669569.db2.gz ZBYUOSMYOSHFSJ-ZWKOTPCHSA-N 1 3 321.509 2.489 20 0 DEADHO CCCC[NH2+][C@H](C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001480792064 1147676309 /nfs/dbraw/zinc/67/63/09/1147676309.db2.gz IIMJURNNHLGJCO-RHSMWYFYSA-N 1 3 315.477 2.483 20 0 DEADHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001480791816 1147680132 /nfs/dbraw/zinc/68/01/32/1147680132.db2.gz CSFIWXUREXEIMO-HUUCEWRRSA-N 1 3 309.498 2.249 20 0 DEADHO CC(C)C[NH2+][C@H](C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001480791805 1147680150 /nfs/dbraw/zinc/68/01/50/1147680150.db2.gz CMCNRHFRFTXQJJ-RHSMWYFYSA-N 1 3 315.477 2.339 20 0 DEADHO C[C@H](C[NH2+][C@@H](C)c1cccc(F)c1)NC(=O)C1(N(C)C)CCC1 ZINC001367675064 1147725521 /nfs/dbraw/zinc/72/55/21/1147725521.db2.gz MEOMJHYBPDIESB-KGLIPLIRSA-N 1 3 321.440 2.465 20 0 DEADHO CCN(CC[NH2+][C@H](C)c1ccc(F)cc1)C(=O)CN1CCCC1 ZINC001367687545 1147727190 /nfs/dbraw/zinc/72/71/90/1147727190.db2.gz JREQOHCSVMINMO-OAHLLOKOSA-N 1 3 321.440 2.421 20 0 DEADHO CC[C@H](C)C[NH2+]CCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001317626283 1147734916 /nfs/dbraw/zinc/73/49/16/1147734916.db2.gz OWEDHTOLPDPHSV-WMLDXEAASA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001367832169 1147755580 /nfs/dbraw/zinc/75/55/80/1147755580.db2.gz KGMGWOHZOYKQFL-RHSMWYFYSA-N 1 3 315.477 2.291 20 0 DEADHO CC(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001367832169 1147755581 /nfs/dbraw/zinc/75/55/81/1147755581.db2.gz KGMGWOHZOYKQFL-RHSMWYFYSA-N 1 3 315.477 2.291 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCc1cccs1)N(C)C ZINC001367855978 1147761913 /nfs/dbraw/zinc/76/19/13/1147761913.db2.gz ZWLALXDHQAJWLK-ZFWWWQNUSA-N 1 3 311.495 2.067 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCc1cccs1)N(C)C ZINC001367855978 1147761914 /nfs/dbraw/zinc/76/19/14/1147761914.db2.gz ZWLALXDHQAJWLK-ZFWWWQNUSA-N 1 3 311.495 2.067 20 0 DEADHO CCC/C=C/CC[NH+]1CC(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001318155124 1147786745 /nfs/dbraw/zinc/78/67/45/1147786745.db2.gz OGNQRZBWEHVWHV-JFDDCEBESA-N 1 3 307.482 2.123 20 0 DEADHO CC(C)CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001325576755 1147953965 /nfs/dbraw/zinc/95/39/65/1147953965.db2.gz RCSYWNVYUQVZLZ-ZWKOTPCHSA-N 1 3 323.525 2.449 20 0 DEADHO CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H](C(C)C)N(C)C ZINC001325701133 1147985762 /nfs/dbraw/zinc/98/57/62/1147985762.db2.gz HQZCWGGOBPPDSP-QGZVFWFLSA-N 1 3 305.466 2.211 20 0 DEADHO CC1CC(C[NH2+]CC[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001326285956 1148069175 /nfs/dbraw/zinc/06/91/75/1148069175.db2.gz HCYVLLBYRLMOTR-CGZBRXJRSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)C2CCN(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000278301219 214075785 /nfs/dbraw/zinc/07/57/85/214075785.db2.gz RZFVRZAMLQCQGI-CRAIPNDOSA-N 1 3 315.461 2.155 20 0 DEADHO C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000431818580 282135383 /nfs/dbraw/zinc/13/53/83/282135383.db2.gz RPFWSWVNOHORDB-WBVHZDCISA-N 1 3 307.482 2.194 20 0 DEADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+]C[C@H]2CCSC2)C1 ZINC000278686387 214325711 /nfs/dbraw/zinc/32/57/11/214325711.db2.gz IKODXHAKHQNUQQ-RHSMWYFYSA-N 1 3 306.475 2.096 20 0 DEADHO COCCC[C@H](C)[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000248456178 536667305 /nfs/dbraw/zinc/66/73/05/536667305.db2.gz SBNINMMZXSJPDA-MAUKXSAKSA-N 1 3 306.450 2.158 20 0 DEADHO CC[C@H](N[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])c1ccc2c(c1)OCCO2 ZINC000422939730 529659924 /nfs/dbraw/zinc/65/99/24/529659924.db2.gz IJGPSMIPBFLHFA-SYAUCNOPSA-N 1 3 320.433 2.251 20 0 DEADHO CC[C@H](N[C@H](C)C[C@H](C)[NH3+])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000422882437 529665413 /nfs/dbraw/zinc/66/54/13/529665413.db2.gz AUBWWUMTZBRZCB-NBMJBFSESA-N 1 3 319.493 2.381 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCCOCC(F)(F)F ZINC000371291838 282215461 /nfs/dbraw/zinc/21/54/61/282215461.db2.gz AASSBNQEAGHBNP-MCIONIFRSA-N 1 3 324.387 2.139 20 0 DEADHO CC(C)N1CCC[C@H](N2CCC(CCC[NH+](C)C)CC2)C1=O ZINC000179700015 282232088 /nfs/dbraw/zinc/23/20/88/282232088.db2.gz PCRKZVGFLHTSSC-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CCc1ccc([C@@H](C)NC(=O)CN2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443058006 529704401 /nfs/dbraw/zinc/70/44/01/529704401.db2.gz IQUQMLNIUKJUNE-WBVHZDCISA-N 1 3 317.477 2.487 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[N@H+](CCC(F)(F)F)CC1 ZINC001421834263 1172030341 /nfs/dbraw/zinc/03/03/41/1172030341.db2.gz LTYIORGOEGXGPX-CYBMUJFWSA-N 1 3 323.403 2.250 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[N@@H+](CCC(F)(F)F)CC1 ZINC001421834263 1172030349 /nfs/dbraw/zinc/03/03/49/1172030349.db2.gz LTYIORGOEGXGPX-CYBMUJFWSA-N 1 3 323.403 2.250 20 0 DEADHO C[NH2+]CCc1ccccc1C(=O)NC[C@H]1NCCc2ccccc21 ZINC000422544336 529979479 /nfs/dbraw/zinc/97/94/79/529979479.db2.gz UPQFAOLSJXMJHC-LJQANCHMSA-N 1 3 323.440 2.065 20 0 DEADHO CN(Cc1ccc(C[NH+]2CCCCC2)cc1)CC(C)(CO)CO ZINC000411330267 529984417 /nfs/dbraw/zinc/98/44/17/529984417.db2.gz WRSWYFWOGQBEGF-UHFFFAOYSA-N 1 3 320.477 2.095 20 0 DEADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NCC1([NH3+])CCC1 ZINC000418527102 529998822 /nfs/dbraw/zinc/99/88/22/529998822.db2.gz OWXIPMPWFRMQLB-UHFFFAOYSA-N 1 3 318.465 2.078 20 0 DEADHO C[C@@H](CN(C)C)NC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000614838362 362473459 /nfs/dbraw/zinc/47/34/59/362473459.db2.gz GZGBRZJVDAGSPD-WMZOPIPTSA-N 1 3 317.477 2.007 20 0 DEADHO C[C@@H](CN(C)C)NC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000614838362 362473468 /nfs/dbraw/zinc/47/34/68/362473468.db2.gz GZGBRZJVDAGSPD-WMZOPIPTSA-N 1 3 317.477 2.007 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000358093252 535015541 /nfs/dbraw/zinc/01/55/41/535015541.db2.gz LOZDSIKYKFZHSY-CABCVRRESA-N 1 3 312.502 2.135 20 0 DEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000358093252 535015544 /nfs/dbraw/zinc/01/55/44/535015544.db2.gz LOZDSIKYKFZHSY-CABCVRRESA-N 1 3 312.502 2.135 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H](C)[C@H](OC)c2ccccc2)CC1 ZINC000279744092 215109042 /nfs/dbraw/zinc/10/90/42/215109042.db2.gz PGKQTVWEPHFXFJ-HKUYNNGSSA-N 1 3 319.493 2.380 20 0 DEADHO C[NH+](C)CCCOc1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1 ZINC000237103173 539743104 /nfs/dbraw/zinc/74/31/04/539743104.db2.gz DSYUUSLSYLDJDJ-OAHLLOKOSA-N 1 3 307.438 2.329 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)CC2([NH3+])CCC2)CN1Cc1ccccc1 ZINC000237566670 539747239 /nfs/dbraw/zinc/74/72/39/539747239.db2.gz HHCJFMVNOUFOOF-GDBMZVCRSA-N 1 3 301.434 2.037 20 0 DEADHO C[C@@H]1CCC[N@H+](CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000155783938 186112938 /nfs/dbraw/zinc/11/29/38/186112938.db2.gz TYOQQVCHWRWECN-OAHLLOKOSA-N 1 3 303.450 2.210 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000155783938 186112939 /nfs/dbraw/zinc/11/29/39/186112939.db2.gz TYOQQVCHWRWECN-OAHLLOKOSA-N 1 3 303.450 2.210 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000237453984 186291637 /nfs/dbraw/zinc/29/16/37/186291637.db2.gz PFAJJIKLUZXTBT-YJBOKZPZSA-N 1 3 315.461 2.482 20 0 DEADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000418648604 295820446 /nfs/dbraw/zinc/82/04/46/295820446.db2.gz VMRXWMKGJKEHJP-HOCLYGCPSA-N 1 3 324.513 2.136 20 0 DEADHO C[NH+](C)CC[C@H](NC(=O)NCCN1CCCCC1)C(C)(C)C ZINC000172167298 198050673 /nfs/dbraw/zinc/05/06/73/198050673.db2.gz MURHXCVJAMYKRB-HNNXBMFYSA-N 1 3 312.502 2.138 20 0 DEADHO C[C@]1(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CCC[NH2+]1 ZINC000309755766 539879052 /nfs/dbraw/zinc/87/90/52/539879052.db2.gz WZJJYDHLQQEHKH-IEBWSBKVSA-N 1 3 315.461 2.157 20 0 DEADHO C[NH+](C)Cc1c2ccccc2oc1C(=O)NCCN1CCCC1 ZINC000072826482 191235242 /nfs/dbraw/zinc/23/52/42/191235242.db2.gz FPGDUMMHYYCPBN-UHFFFAOYSA-N 1 3 315.417 2.320 20 0 DEADHO C[C@H](C(=O)N1CCc2sccc2C1)N1CCC([C@H](C)[NH3+])CC1 ZINC000430936336 237532981 /nfs/dbraw/zinc/53/29/81/237532981.db2.gz UIVJBABWKHKXRH-QWHCGFSZSA-N 1 3 321.490 2.081 20 0 DEADHO CC(C)N1CCN(CCC[N@H+](CCO)C2CCCCC2)CC1 ZINC000191591214 535200114 /nfs/dbraw/zinc/20/01/14/535200114.db2.gz FIWMSMBKEXSKTA-UHFFFAOYSA-N 1 3 311.514 2.030 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+](CCO)C2CCCCC2)CC1 ZINC000191591214 535200120 /nfs/dbraw/zinc/20/01/20/535200120.db2.gz FIWMSMBKEXSKTA-UHFFFAOYSA-N 1 3 311.514 2.030 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000359927369 535227498 /nfs/dbraw/zinc/22/74/98/535227498.db2.gz XQIPDHLDDGNQAA-CVEARBPZSA-N 1 3 312.502 2.090 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000359927369 535227503 /nfs/dbraw/zinc/22/75/03/535227503.db2.gz XQIPDHLDDGNQAA-CVEARBPZSA-N 1 3 312.502 2.090 20 0 DEADHO CCC[C@H](C)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759996 354388712 /nfs/dbraw/zinc/38/87/12/354388712.db2.gz BOYJIQJKSHUGBL-HNNXBMFYSA-N 1 3 324.513 2.375 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NC[C@H](C)N2CCCC[C@H]2C)CC1 ZINC000072954208 354932322 /nfs/dbraw/zinc/93/23/22/354932322.db2.gz SABHCYYIUZSQEX-CVEARBPZSA-N 1 3 309.498 2.486 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)NCC[N@H+](C)C1CC1 ZINC000074229120 355015937 /nfs/dbraw/zinc/01/59/37/355015937.db2.gz FCFCKXNBKIVOKM-UHFFFAOYSA-N 1 3 315.417 2.318 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)NCC[N@@H+](C)C1CC1 ZINC000074229120 355015941 /nfs/dbraw/zinc/01/59/41/355015941.db2.gz FCFCKXNBKIVOKM-UHFFFAOYSA-N 1 3 315.417 2.318 20 0 DEADHO CC(C)[NH+]1CCC(N(C)C(=O)[C@@H](CN)c2ccc(F)cc2)CC1 ZINC000358859114 283074234 /nfs/dbraw/zinc/07/42/34/283074234.db2.gz BAXOBBPGDABECU-KRWDZBQOSA-N 1 3 321.440 2.199 20 0 DEADHO NCc1cc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])cc(C(F)(F)F)c1 ZINC000362580980 540108567 /nfs/dbraw/zinc/10/85/67/540108567.db2.gz OGGHWJJZABKXHS-NEPJUHHUSA-N 1 3 301.312 2.230 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@@H](c2nccn2C)C2CC2)C[C@H](C)O1 ZINC000183330264 356168321 /nfs/dbraw/zinc/16/83/21/356168321.db2.gz DSIRPGTWKUGUNZ-HLLBOEOZSA-N 1 3 320.481 2.350 20 0 DEADHO C[C@H](NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CCC[NH2+]1 ZINC000400363734 283156150 /nfs/dbraw/zinc/15/61/50/283156150.db2.gz QVWLTERKKAYOMO-QXAKKESOSA-N 1 3 317.477 2.008 20 0 DEADHO O=C(CC[C@H]1CCC[NH2+]C1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000302922179 356392522 /nfs/dbraw/zinc/39/25/22/356392522.db2.gz PITCHGYDSIXEPW-SJLPKXTDSA-N 1 3 315.461 2.157 20 0 DEADHO Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H](C)CN1CCCC1 ZINC000314965742 356420830 /nfs/dbraw/zinc/42/08/30/356420830.db2.gz FFZKQYZOUSWTBN-RDJZCZTQSA-N 1 3 306.450 2.056 20 0 DEADHO Cc1cc(CN(C)C)cc(NC(=O)c2csc(CC[NH3+])n2)c1 ZINC000423785240 283202119 /nfs/dbraw/zinc/20/21/19/283202119.db2.gz OAEHDWXPWCDQEX-UHFFFAOYSA-N 1 3 318.446 2.267 20 0 DEADHO C[NH2+]CCCC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000382761234 356678021 /nfs/dbraw/zinc/67/80/21/356678021.db2.gz JVAYYANMECLGRB-MRXNPFEDSA-N 1 3 303.450 2.109 20 0 DEADHO C[N@H+]1C[C@H]2CN(C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC000193616489 283212253 /nfs/dbraw/zinc/21/22/53/283212253.db2.gz BRAFSBVOQASWSD-HRCADAONSA-N 1 3 323.481 2.127 20 0 DEADHO C[N@@H+]1C[C@H]2CN(C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC000193616489 283212257 /nfs/dbraw/zinc/21/22/57/283212257.db2.gz BRAFSBVOQASWSD-HRCADAONSA-N 1 3 323.481 2.127 20 0 DEADHO COc1cccc2c1CCC[C@@H]2[NH2+]CC1(O)CCN(C)CC1 ZINC000578590429 356839129 /nfs/dbraw/zinc/83/91/29/356839129.db2.gz KNJQXKAXKKGGBA-INIZCTEOSA-N 1 3 304.434 2.119 20 0 DEADHO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(OCCN2CCCC2)c(C)c1 ZINC000237261373 202210209 /nfs/dbraw/zinc/21/02/09/202210209.db2.gz WJNJAESJGFZGOX-OAHLLOKOSA-N 1 3 319.449 2.264 20 0 DEADHO C[NH+](C)[C@H]1CCCN(C(=O)Nc2cccc3c2CCNC3)CC1 ZINC000581119961 357134545 /nfs/dbraw/zinc/13/45/45/357134545.db2.gz TWAFLLBRPVHJPZ-HNNXBMFYSA-N 1 3 316.449 2.280 20 0 DEADHO N[C@H](CC(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000581656839 357224483 /nfs/dbraw/zinc/22/44/83/357224483.db2.gz XXKOKDAHDWUWCN-ZACQAIPSSA-N 1 3 301.434 2.067 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](C)C[C@H]3C)CC2)CC1 ZINC000581378589 357178283 /nfs/dbraw/zinc/17/82/83/357178283.db2.gz NYMOCZUYYWLRIJ-JKSUJKDBSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)C(=O)NC ZINC000449769614 283280208 /nfs/dbraw/zinc/28/02/08/283280208.db2.gz DRGNOOPRLJBKAX-VSZNYVQBSA-N 1 3 315.461 2.011 20 0 DEADHO CC[NH2+]CC1CCN(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000655973890 540297435 /nfs/dbraw/zinc/29/74/35/540297435.db2.gz KCTDFKINGTWGDH-SJORKVTESA-N 1 3 322.497 2.034 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)NC[C@H]2CCN2C(C)(C)C)CC1 ZINC000661397140 540318874 /nfs/dbraw/zinc/31/88/74/540318874.db2.gz CBHKMPJXQBORDG-MRXNPFEDSA-N 1 3 324.513 2.423 20 0 DEADHO CC(C)C[C@H](C[NH3+])CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000662575092 540332922 /nfs/dbraw/zinc/33/29/22/540332922.db2.gz MDPSMZJYCPWTPD-RRQGHBQHSA-N 1 3 321.440 2.090 20 0 DEADHO Fc1ccc(Cn2cc(CN[C@H]3CC34CC[NH2+]CC4)cn2)cc1 ZINC000666954704 540369548 /nfs/dbraw/zinc/36/95/48/540369548.db2.gz ZLNIDRLXPOWNFT-KRWDZBQOSA-N 1 3 314.408 2.302 20 0 DEADHO c1ccc(N2CCC([NH2+][C@@H]3CCNC4(CCC4)C3)CC2)nc1 ZINC000666995177 540377367 /nfs/dbraw/zinc/37/73/67/540377367.db2.gz FHNFNNIAKXDKPD-MRXNPFEDSA-N 1 3 300.450 2.315 20 0 DEADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3cnc4ccccn34)CC2)C1 ZINC000667054058 540387801 /nfs/dbraw/zinc/38/78/01/540387801.db2.gz BZAFGAKJUUCATF-DOTOQJQBSA-N 1 3 314.433 2.053 20 0 DEADHO CCC1([NH2+]CC2CC2)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001422027710 1172241979 /nfs/dbraw/zinc/24/19/79/1172241979.db2.gz DJEUHGUZJKTTOO-OAHLLOKOSA-N 1 3 307.482 2.099 20 0 DEADHO CCN(CC[NH3+])C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000626979834 366388355 /nfs/dbraw/zinc/38/83/55/366388355.db2.gz MTGOYCVIGMKRDG-HNNXBMFYSA-N 1 3 318.465 2.202 20 0 DEADHO CCN(CC[NH3+])C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000626978197 366388454 /nfs/dbraw/zinc/38/84/54/366388454.db2.gz AERSWHUIBJDDHB-QGZVFWFLSA-N 1 3 318.465 2.204 20 0 DEADHO CCC[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000294635020 283396106 /nfs/dbraw/zinc/39/61/06/283396106.db2.gz ASGMORYXZMIQTH-YOEHRIQHSA-N 1 3 305.466 2.356 20 0 DEADHO CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@H]2CCN(C3CC3)C2)c1C ZINC000598954407 359365896 /nfs/dbraw/zinc/36/58/96/359365896.db2.gz RIXDXGFHRJILJI-CQSZACIVSA-N 1 3 319.449 2.382 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)Nc2cccc(CN)c2)CC1 ZINC000667732136 540515746 /nfs/dbraw/zinc/51/57/46/540515746.db2.gz CFMXSUADIGXFKK-UHFFFAOYSA-N 1 3 304.438 2.387 20 0 DEADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000667847686 540539456 /nfs/dbraw/zinc/53/94/56/540539456.db2.gz SUKUJPGFZLICKT-PKOBYXMFSA-N 1 3 318.461 2.327 20 0 DEADHO C[NH+](C)CCOc1ccccc1CN[C@@H]1CO[C@@H](C2CC2)C1 ZINC000667816993 540533696 /nfs/dbraw/zinc/53/36/96/540533696.db2.gz JADZFHGYHLDHIJ-FUHWJXTLSA-N 1 3 304.434 2.284 20 0 DEADHO C[C@@H](CCNC(=O)[C@@H]1CCCCN1)[N@H+](C)Cc1ccccc1 ZINC000237560879 202282264 /nfs/dbraw/zinc/28/22/64/202282264.db2.gz IMXMZMYUYVWAAZ-RDJZCZTQSA-N 1 3 303.450 2.155 20 0 DEADHO C[C@@H](CCNC(=O)[C@@H]1CCCCN1)[N@@H+](C)Cc1ccccc1 ZINC000237560879 202282267 /nfs/dbraw/zinc/28/22/67/202282267.db2.gz IMXMZMYUYVWAAZ-RDJZCZTQSA-N 1 3 303.450 2.155 20 0 DEADHO C[C@@H](CNC(=O)C[C@H](N)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000237560481 202282398 /nfs/dbraw/zinc/28/23/98/202282398.db2.gz QEHKRWAYYBTQTN-VYDXJSESSA-N 1 3 303.450 2.313 20 0 DEADHO C[C@@H](CNC(=O)C[C@H](N)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000237560481 202282402 /nfs/dbraw/zinc/28/24/02/202282402.db2.gz QEHKRWAYYBTQTN-VYDXJSESSA-N 1 3 303.450 2.313 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)CC2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000237566812 202287206 /nfs/dbraw/zinc/28/72/06/202287206.db2.gz SUVWEHCFZDRFTB-CRAIPNDOSA-N 1 3 315.461 2.155 20 0 DEADHO CN(C)CCN(Cc1cccc(O)c1)C(=O)CCCC[NH+](C)C ZINC000515680180 283492067 /nfs/dbraw/zinc/49/20/67/283492067.db2.gz HYOOFOCZRINBLM-UHFFFAOYSA-N 1 3 321.465 2.014 20 0 DEADHO CC[NH2+]CCCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000668490950 540673317 /nfs/dbraw/zinc/67/33/17/540673317.db2.gz QLKQRNBCABTHTO-KRWDZBQOSA-N 1 3 318.465 2.122 20 0 DEADHO CC[NH2+]CCCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000668490951 540673470 /nfs/dbraw/zinc/67/34/70/540673470.db2.gz QLKQRNBCABTHTO-QGZVFWFLSA-N 1 3 318.465 2.122 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000601283677 359993227 /nfs/dbraw/zinc/99/32/27/359993227.db2.gz HPQBILSEKPZZJV-IAGOWNOFSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@H](C(=O)N1CCc2ccccc21)N1CCC[C@H](CC[NH3+])C1 ZINC000443056172 238100042 /nfs/dbraw/zinc/10/00/42/238100042.db2.gz CDEWFTDNOOXAPA-HUUCEWRRSA-N 1 3 301.434 2.025 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H]1CCCC[NH2+]1)c1ccco1 ZINC000669584154 540869286 /nfs/dbraw/zinc/86/92/86/540869286.db2.gz SMLSZFWUTJTPOO-SOUVJXGZSA-N 1 3 322.453 2.150 20 0 DEADHO C[C@@H]([NH3+])CCC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000193311330 201027271 /nfs/dbraw/zinc/02/72/71/201027271.db2.gz GELMJEGNGCQZCO-OAHLLOKOSA-N 1 3 303.450 2.237 20 0 DEADHO C[C@H](NC(=O)c1cccc(CN(C)C)c1)C1CC[NH+](C)CC1 ZINC000673670236 541130084 /nfs/dbraw/zinc/13/00/84/541130084.db2.gz HWEYATKBBLSKOI-AWEZNQCLSA-N 1 3 303.450 2.208 20 0 DEADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448261275 239290055 /nfs/dbraw/zinc/29/00/55/239290055.db2.gz OXOBDUNZXJXYBP-BZUAXINKSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448261275 239290063 /nfs/dbraw/zinc/29/00/63/239290063.db2.gz OXOBDUNZXJXYBP-BZUAXINKSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000674878633 541268519 /nfs/dbraw/zinc/26/85/19/541268519.db2.gz MNUCCMVOMUUWSP-NEWSRXKRSA-N 1 3 301.478 2.438 20 0 DEADHO O=C(NCC1CC[NH+](CC2CC2)CC1)[C@H](C1CC1)N1CCCC1 ZINC000620932996 364206534 /nfs/dbraw/zinc/20/65/34/364206534.db2.gz KLAURKLLHNCMON-SFHVURJKSA-N 1 3 319.493 2.099 20 0 DEADHO C[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000621105886 364257745 /nfs/dbraw/zinc/25/77/45/364257745.db2.gz ZXYWAYNBVHPADH-HPFXQQBRSA-N 1 3 321.509 2.486 20 0 DEADHO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000621105886 364257751 /nfs/dbraw/zinc/25/77/51/364257751.db2.gz ZXYWAYNBVHPADH-HPFXQQBRSA-N 1 3 321.509 2.486 20 0 DEADHO CN(C)[C@H](CNC(=O)CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000621641490 364485006 /nfs/dbraw/zinc/48/50/06/364485006.db2.gz LIGMIOXWDQNLIE-MSOLQXFVSA-N 1 3 317.477 2.055 20 0 DEADHO CC(C)(C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)[C@H](N)c1ccccc1 ZINC000621683290 364505039 /nfs/dbraw/zinc/50/50/39/364505039.db2.gz SUWRFNGOFRYBAB-DAYGRLMNSA-N 1 3 301.434 2.052 20 0 DEADHO CC1CCN(CCNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC000622090164 364660399 /nfs/dbraw/zinc/66/03/99/364660399.db2.gz OENHPMDFERLSBJ-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO CC1CCN(CCNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC000622090164 364660402 /nfs/dbraw/zinc/66/04/02/364660402.db2.gz OENHPMDFERLSBJ-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000622096097 364661458 /nfs/dbraw/zinc/66/14/58/364661458.db2.gz VUEOIDCOGVLQAS-HZPDHXFCSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000622096097 364661462 /nfs/dbraw/zinc/66/14/62/364661462.db2.gz VUEOIDCOGVLQAS-HZPDHXFCSA-N 1 3 322.497 2.129 20 0 DEADHO CN(C)Cc1cccc(NC(=O)NCCC[C@H]2CCC[NH2+]2)c1 ZINC000623056352 364870027 /nfs/dbraw/zinc/87/00/27/364870027.db2.gz XKXGGCQNSIQWLG-OAHLLOKOSA-N 1 3 304.438 2.402 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000623067534 364873759 /nfs/dbraw/zinc/87/37/59/364873759.db2.gz HXYBIHUKVQVUEM-BFYDXBDKSA-N 1 3 316.449 2.258 20 0 DEADHO CN(C)CCN(C)CCC[NH2+]C/C=C\c1ccc(F)cc1F ZINC000623087667 364879458 /nfs/dbraw/zinc/87/94/58/364879458.db2.gz BMGUWEWCWVKCSP-XQRVVYSFSA-N 1 3 311.420 2.451 20 0 DEADHO [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000449326995 240374852 /nfs/dbraw/zinc/37/48/52/240374852.db2.gz AXKXBMAENZDQFO-GVDBMIGSSA-N 1 3 307.482 2.371 20 0 DEADHO CS(=O)(=O)c1cccc(CNCC2CC[NH+](C3CC3)CC2)c1 ZINC000449290742 240319823 /nfs/dbraw/zinc/31/98/23/240319823.db2.gz YOPPRKSDUDEJKD-UHFFFAOYSA-N 1 3 322.474 2.054 20 0 DEADHO Cn1c(=O)ccc2c1CCC[C@@H]2N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623560752 365079365 /nfs/dbraw/zinc/07/93/65/365079365.db2.gz QQFLHIQRMAEHRN-ZFWWWQNUSA-N 1 3 303.450 2.225 20 0 DEADHO Cn1c(=O)ccc2c1CCC[C@@H]2N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623560752 365079371 /nfs/dbraw/zinc/07/93/71/365079371.db2.gz QQFLHIQRMAEHRN-ZFWWWQNUSA-N 1 3 303.450 2.225 20 0 DEADHO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000449816534 241118067 /nfs/dbraw/zinc/11/80/67/241118067.db2.gz XZTFRRZSYNTUBR-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000449816534 241118073 /nfs/dbraw/zinc/11/80/73/241118073.db2.gz XZTFRRZSYNTUBR-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000676753919 541496578 /nfs/dbraw/zinc/49/65/78/541496578.db2.gz VGFZXROXEICREG-AQFXKWCLSA-N 1 3 324.513 2.280 20 0 DEADHO FC(F)CN1CCC[C@@H]1CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000629518981 367232029 /nfs/dbraw/zinc/23/20/29/367232029.db2.gz NSFHRKLNVJOVPH-CBBWQLFWSA-N 1 3 301.425 2.226 20 0 DEADHO COc1ccc(C[C@H](C)NCC2([NH3+])CCOCC2)c(C)c1OC ZINC000629520660 367233301 /nfs/dbraw/zinc/23/33/01/367233301.db2.gz LUFOHHBBEYAKBY-ZDUSSCGKSA-N 1 3 322.449 2.041 20 0 DEADHO C[C@@H](C[NH2+]C[C@H](O)CN1CCCC1)Oc1ccc(Cl)cc1 ZINC000629563080 367253375 /nfs/dbraw/zinc/25/33/75/367253375.db2.gz DUGJWTIEEAOOHM-ZFWWWQNUSA-N 1 3 312.841 2.154 20 0 DEADHO C[NH2+]C1(CNC(=O)C2CCN(Cc3ccccc3)CC2)CCC1 ZINC000629999357 367429257 /nfs/dbraw/zinc/42/92/57/367429257.db2.gz FRKXZIWAQXPUDQ-UHFFFAOYSA-N 1 3 315.461 2.157 20 0 DEADHO C[C@@H](NC1CC1)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000449118924 296113359 /nfs/dbraw/zinc/11/33/59/296113359.db2.gz UZXQHNDJAKOHFD-CVEARBPZSA-N 1 3 307.482 2.242 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCCc3ncccc32)CC1 ZINC000631570594 368292699 /nfs/dbraw/zinc/29/26/99/368292699.db2.gz RZVOBILMAPVCDZ-YJBOKZPZSA-N 1 3 302.466 2.075 20 0 DEADHO COc1ccc2c(c1)CC[C@@H]2[NH2+]CCCN1CCCN(C)CC1 ZINC000631577133 368295419 /nfs/dbraw/zinc/29/54/19/368295419.db2.gz GPKPUJMDPKIMSX-IBGZPJMESA-N 1 3 317.477 2.300 20 0 DEADHO CC(C)N1CCN(CCC[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000451481354 243009833 /nfs/dbraw/zinc/00/98/33/243009833.db2.gz SYFWGTYRBAJCBG-RCCFBDPRSA-N 1 3 323.525 2.196 20 0 DEADHO CCN1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1C ZINC000678261242 541702289 /nfs/dbraw/zinc/70/22/89/541702289.db2.gz JGXOHPWUHYOXJW-MRXNPFEDSA-N 1 3 305.466 2.153 20 0 DEADHO Cc1ccc([C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)c(C)n1 ZINC000678411114 541726060 /nfs/dbraw/zinc/72/60/60/541726060.db2.gz HBNMAMZPYXUXCY-INIZCTEOSA-N 1 3 304.482 2.375 20 0 DEADHO CN(C)[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)c1ccccc1 ZINC000261835511 203129953 /nfs/dbraw/zinc/12/99/53/203129953.db2.gz YALLESHVDGQUFC-XWTMOSNGSA-N 1 3 315.461 2.326 20 0 DEADHO N[C@H](CC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000261854693 203134206 /nfs/dbraw/zinc/13/42/06/203134206.db2.gz FAPGXTPIDOLQRW-DLBZAZTESA-N 1 3 301.434 2.163 20 0 DEADHO C[C@@H]([NH2+][C@H](CO)CC1CC1)c1cccc(OCCN(C)C)c1 ZINC000678606980 541749576 /nfs/dbraw/zinc/74/95/76/541749576.db2.gz MLJFPESJJDSMLH-PBHICJAKSA-N 1 3 306.450 2.439 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)N(C)Cc1ccccc1 ZINC000262277798 203248840 /nfs/dbraw/zinc/24/88/40/203248840.db2.gz JZAMQJXZIRIVBF-OIISXLGYSA-N 1 3 303.450 2.141 20 0 DEADHO C[C@@H]([NH2+]C1(CNC(=O)C2(N)CC2)CCCC1)c1ccccc1 ZINC000262704404 203388083 /nfs/dbraw/zinc/38/80/83/203388083.db2.gz LHOHXAQXIIFBOY-CQSZACIVSA-N 1 3 301.434 2.258 20 0 DEADHO C[C@H]1C[C@@H](Nc2ccc(CN3CCN(C)CC3)cc2)CC[N@@H+]1C ZINC000679004437 541795046 /nfs/dbraw/zinc/79/50/46/541795046.db2.gz LAYCITBJKWSAAS-LPHOPBHVSA-N 1 3 316.493 2.329 20 0 DEADHO C[C@H]1C[C@@H](Nc2ccc(CN3CCN(C)CC3)cc2)CC[N@H+]1C ZINC000679004437 541795049 /nfs/dbraw/zinc/79/50/49/541795049.db2.gz LAYCITBJKWSAAS-LPHOPBHVSA-N 1 3 316.493 2.329 20 0 DEADHO O=C1Nc2ccccc2C[C@H]1NC1CCN(c2cc[nH+]cc2)CC1 ZINC000529667745 284236003 /nfs/dbraw/zinc/23/60/03/284236003.db2.gz DHODAYJRJOKJNC-GOSISDBHSA-N 1 3 322.412 2.203 20 0 DEADHO CN(C)C[C@@H](NC(=O)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000282968410 217357407 /nfs/dbraw/zinc/35/74/07/217357407.db2.gz OTJWMRXOGFKDDN-MRXNPFEDSA-N 1 3 323.868 2.401 20 0 DEADHO [NH3+]CC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000020267178 182201775 /nfs/dbraw/zinc/20/17/75/182201775.db2.gz UKDWXRYDIPPDGK-UHFFFAOYSA-N 1 3 313.239 2.499 20 0 DEADHO C[C@H](CNC(=O)NCCCCC[NH+]1CCCC1)N(C)C1CC1 ZINC000454648578 246024942 /nfs/dbraw/zinc/02/49/42/246024942.db2.gz KFHPQLDNEIWKGJ-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO C[N@H+](CCCCNC(=O)NC[C@@H]1CCCCN1C1CC1)C1CC1 ZINC000454854421 246201603 /nfs/dbraw/zinc/20/16/03/246201603.db2.gz BUAHCKKTPDQFCH-KRWDZBQOSA-N 1 3 322.497 2.177 20 0 DEADHO C[N@@H+](CCCCNC(=O)NC[C@@H]1CCCCN1C1CC1)C1CC1 ZINC000454854421 246201615 /nfs/dbraw/zinc/20/16/15/246201615.db2.gz BUAHCKKTPDQFCH-KRWDZBQOSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H](NCc1ccn(C)c(=O)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000680401411 542001818 /nfs/dbraw/zinc/00/18/18/542001818.db2.gz YULXJIYNAXPVNF-GDBMZVCRSA-N 1 3 303.450 2.128 20 0 DEADHO C[C@@H](NCc1ccn(C)c(=O)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000680401411 542001822 /nfs/dbraw/zinc/00/18/22/542001822.db2.gz YULXJIYNAXPVNF-GDBMZVCRSA-N 1 3 303.450 2.128 20 0 DEADHO C[C@@H]([NH2+]Cc1ccn(C)c(=O)c1)[C@@H]1CCCN(C2CCC2)C1 ZINC000680401411 542001824 /nfs/dbraw/zinc/00/18/24/542001824.db2.gz YULXJIYNAXPVNF-GDBMZVCRSA-N 1 3 303.450 2.128 20 0 DEADHO CC[NH+](CC)CC1CCN(C(=O)[C@H](CN)c2ccccc2)CC1 ZINC000261655607 284582136 /nfs/dbraw/zinc/58/21/36/284582136.db2.gz FUZASLNSVDJWSS-GOSISDBHSA-N 1 3 317.477 2.309 20 0 DEADHO CN(C)[C@@H]1CCCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000105070646 194068775 /nfs/dbraw/zinc/06/87/75/194068775.db2.gz MWJKFRFDNNGPHM-CQSZACIVSA-N 1 3 310.486 2.031 20 0 DEADHO CC(C)[C@H](CNC(=O)NC1CCN(C2CC2)CC1)[NH+]1CCCC1 ZINC000105100576 194072766 /nfs/dbraw/zinc/07/27/66/194072766.db2.gz WARNIWOIVVEQOH-KRWDZBQOSA-N 1 3 322.497 2.033 20 0 DEADHO COCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000268962981 207125099 /nfs/dbraw/zinc/12/50/99/207125099.db2.gz YAYYLHBLYHCKSS-CRAIPNDOSA-N 1 3 324.465 2.065 20 0 DEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](CN)c1ccccc1 ZINC000269248867 207385492 /nfs/dbraw/zinc/38/54/92/207385492.db2.gz NXJAPVFPBFMNLG-KYHPRHEASA-N 1 3 317.477 2.212 20 0 DEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](CN)c1ccccc1 ZINC000269248867 207385495 /nfs/dbraw/zinc/38/54/95/207385495.db2.gz NXJAPVFPBFMNLG-KYHPRHEASA-N 1 3 317.477 2.212 20 0 DEADHO CC[C@]1(CO)CCC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000682784060 542355731 /nfs/dbraw/zinc/35/57/31/542355731.db2.gz UXCOOSGTLPJIMR-GOSISDBHSA-N 1 3 306.450 2.364 20 0 DEADHO CC[C@]1(CO)CCC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000682784060 542355733 /nfs/dbraw/zinc/35/57/33/542355733.db2.gz UXCOOSGTLPJIMR-GOSISDBHSA-N 1 3 306.450 2.364 20 0 DEADHO COc1cc(NCCN[C@H]2CCCC[C@@H]2C[NH3+])cc(OC)c1 ZINC000423001823 533031594 /nfs/dbraw/zinc/03/15/94/533031594.db2.gz INXFHIMVFRPALW-DYVFJYSZSA-N 1 3 307.438 2.223 20 0 DEADHO COc1cc(NCC[NH2+][C@H]2CCCC[C@@H]2CN)cc(OC)c1 ZINC000423001823 533031600 /nfs/dbraw/zinc/03/16/00/533031600.db2.gz INXFHIMVFRPALW-DYVFJYSZSA-N 1 3 307.438 2.223 20 0 DEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000420827341 296384867 /nfs/dbraw/zinc/38/48/67/296384867.db2.gz VIQGFQGNZZRLSI-HZPDHXFCSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000420827341 296384868 /nfs/dbraw/zinc/38/48/68/296384868.db2.gz VIQGFQGNZZRLSI-HZPDHXFCSA-N 1 3 324.513 2.233 20 0 DEADHO CCCN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC000158280604 197258542 /nfs/dbraw/zinc/25/85/42/197258542.db2.gz ILPUPOJZVRVXFN-KRWDZBQOSA-N 1 3 303.450 2.280 20 0 DEADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000120336388 195146533 /nfs/dbraw/zinc/14/65/33/195146533.db2.gz MWUIDVDQGGBZMF-HOCLYGCPSA-N 1 3 324.513 2.231 20 0 DEADHO COc1cc2nccc(NC[C@H](C3CC3)[NH+](C)C)c2cc1OC ZINC000413121520 533145217 /nfs/dbraw/zinc/14/52/17/533145217.db2.gz GOPLTMQKGMDVCL-MRXNPFEDSA-N 1 3 315.417 2.426 20 0 DEADHO CC(C)C[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000155431487 197054373 /nfs/dbraw/zinc/05/43/73/197054373.db2.gz KZRRGNFAJLLQKS-HNNXBMFYSA-N 1 3 324.513 2.279 20 0 DEADHO CC[NH+]1CCC(CNC(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000684117829 542553581 /nfs/dbraw/zinc/55/35/81/542553581.db2.gz ZFNHPFIPXCYZFL-INIZCTEOSA-N 1 3 324.513 2.138 20 0 DEADHO O[C@H]1Cc2ccccc2[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000294249485 285370920 /nfs/dbraw/zinc/37/09/20/285370920.db2.gz PWQYVEYVXNZDOE-RBUKOAKNSA-N 1 3 309.413 2.298 20 0 DEADHO C[C@@H]1CCC[C@@](CNC(=O)C23CCCN2CCC3)([NH+](C)C)C1 ZINC000368011925 296453876 /nfs/dbraw/zinc/45/38/76/296453876.db2.gz LIHXNDVJGPORJR-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO COCCOc1ccc([C@H](C)N[C@@H](C)C[C@H](C)[NH3+])cc1OC ZINC000422892511 533263245 /nfs/dbraw/zinc/26/32/45/533263245.db2.gz NECXAZORPFPSBL-IHRRRGAJSA-N 1 3 310.438 2.497 20 0 DEADHO COc1ccc(C)cc1CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422784478 533384568 /nfs/dbraw/zinc/38/45/68/533384568.db2.gz MGMHVKOZGIXNSR-KZNAEPCWSA-N 1 3 318.461 2.293 20 0 DEADHO COc1cccc(C2(CN[C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])CC2)c1 ZINC000423127627 533436935 /nfs/dbraw/zinc/43/69/35/533436935.db2.gz UJAMXXNAKCZHIS-IAOVAPTHSA-N 1 3 304.434 2.069 20 0 DEADHO COc1cccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)N)CC2)c1 ZINC000423127627 533436938 /nfs/dbraw/zinc/43/69/38/533436938.db2.gz UJAMXXNAKCZHIS-IAOVAPTHSA-N 1 3 304.434 2.069 20 0 DEADHO C[C@@H](NCc1ccccc1OCC[NH+](C)C)c1cnccc1N ZINC000422817887 533461617 /nfs/dbraw/zinc/46/16/17/533461617.db2.gz FDSVXKAWERTMLR-CQSZACIVSA-N 1 3 314.433 2.285 20 0 DEADHO C[C@@H](NCc1ccccc1OCCN(C)C)[C@H]1CCCC[NH2+]1 ZINC000422819607 533462038 /nfs/dbraw/zinc/46/20/38/533462038.db2.gz INSKZWLVFBBDCB-NVXWUHKLSA-N 1 3 305.466 2.247 20 0 DEADHO COc1ccc(CCN[C@@H]2CC[NH2+]CC[C@@H]2C)c(OC)c1OC ZINC000422709402 533498992 /nfs/dbraw/zinc/49/89/92/533498992.db2.gz ZFMDJTASMCQZEY-DZGCQCFKSA-N 1 3 322.449 2.233 20 0 DEADHO COc1ccc(CC[NH2+][C@@H]2CCNCC[C@@H]2C)c(OC)c1OC ZINC000422709402 533498996 /nfs/dbraw/zinc/49/89/96/533498996.db2.gz ZFMDJTASMCQZEY-DZGCQCFKSA-N 1 3 322.449 2.233 20 0 DEADHO COc1ccc(CCN[C@H]2CCC[C@H]2[NH3+])cc1OC(F)F ZINC000422883030 533501555 /nfs/dbraw/zinc/50/15/55/533501555.db2.gz UCNOWPDIUDILDT-NEPJUHHUSA-N 1 3 300.349 2.309 20 0 DEADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000413668566 533591951 /nfs/dbraw/zinc/59/19/51/533591951.db2.gz KAAOCLHZOKXLHX-FPCVCCKLSA-N 1 3 309.498 2.436 20 0 DEADHO COC(=O)COc1ccc(CN2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1 ZINC000422565317 533558566 /nfs/dbraw/zinc/55/85/66/533558566.db2.gz YIPHMULHEDNXDH-DZKIICNBSA-N 1 3 320.433 2.044 20 0 DEADHO Cc1cc(CN2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)ccc1-n1cncn1 ZINC000422561337 533637275 /nfs/dbraw/zinc/63/72/75/533637275.db2.gz KRKAHNFVKVHZGL-LXZKKBNFSA-N 1 3 313.449 2.381 20 0 DEADHO C[C@H]1CC[NH2+]C[C@@H]1Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000422983648 533668870 /nfs/dbraw/zinc/66/88/70/533668870.db2.gz ULOGTATWVSOVHC-KXBFYZLASA-N 1 3 317.477 2.301 20 0 DEADHO CO[C@@H]1CCC[C@@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)C1 ZINC000684382877 542597542 /nfs/dbraw/zinc/59/75/42/542597542.db2.gz RUWLOKNANSIXLF-QZTJIDSGSA-N 1 3 323.525 2.484 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+][C@@H](CO)C2CCCC2)cc1 ZINC000685633160 542745703 /nfs/dbraw/zinc/74/57/03/542745703.db2.gz ZOBNLHZUTGLRQE-SFHVURJKSA-N 1 3 306.450 2.268 20 0 DEADHO CCc1cc(N2CCC(N[C@H](C)C[C@H]3CCC[NH2+]3)CC2)ncn1 ZINC000562747883 292008498 /nfs/dbraw/zinc/00/84/98/292008498.db2.gz KBEYDEJUWYHRMJ-RHSMWYFYSA-N 1 3 317.481 2.128 20 0 DEADHO COCCCCC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000341020204 132618135 /nfs/dbraw/zinc/61/81/35/132618135.db2.gz VCRQOYXUDBBZIN-UHFFFAOYSA-N 1 3 311.514 2.294 20 0 DEADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCCOCC1CC1 ZINC000422884751 285522745 /nfs/dbraw/zinc/52/27/45/285522745.db2.gz FPPMMZOKTGJKFH-WMZOPIPTSA-N 1 3 302.418 2.259 20 0 DEADHO CC[NH2+]CCCNC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000562813103 292012335 /nfs/dbraw/zinc/01/23/35/292012335.db2.gz LFRBOSADPBBNEQ-UHFFFAOYSA-N 1 3 312.502 2.140 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc3c(c2)CNC3)C1 ZINC000347496175 132765559 /nfs/dbraw/zinc/76/55/59/132765559.db2.gz DADNRUGSVQWRQA-AWEZNQCLSA-N 1 3 301.434 2.094 20 0 DEADHO CCOC[C@H]1CCC[C@@H]1[NH2+]CCCCN1CCN(CC)CC1 ZINC000353918396 133011522 /nfs/dbraw/zinc/01/15/22/133011522.db2.gz TXQIJXWEELDZPR-MSOLQXFVSA-N 1 3 311.514 2.199 20 0 DEADHO CC[NH+](CC)CCOC1CCN(CCCc2nc(C)no2)CC1 ZINC000357734011 133096568 /nfs/dbraw/zinc/09/65/68/133096568.db2.gz RPPYHLOTVCLYGE-UHFFFAOYSA-N 1 3 324.469 2.133 20 0 DEADHO C[C@H](NC(=O)NCC1([NH+](C)C)CCCCC1)C1=CCN(C)CC1 ZINC000357868689 133106406 /nfs/dbraw/zinc/10/64/06/133106406.db2.gz LFNIPDMZLGTVBM-HNNXBMFYSA-N 1 3 322.497 2.201 20 0 DEADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccccc1CN(C)C ZINC000362511688 133234533 /nfs/dbraw/zinc/23/45/33/133234533.db2.gz OLZJBHIELITFHY-HNNXBMFYSA-N 1 3 303.450 2.352 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000362713127 133247151 /nfs/dbraw/zinc/24/71/51/133247151.db2.gz ATJXXDQYHKKDCW-CRAIPNDOSA-N 1 3 317.477 2.294 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000362713127 133247152 /nfs/dbraw/zinc/24/71/52/133247152.db2.gz ATJXXDQYHKKDCW-CRAIPNDOSA-N 1 3 317.477 2.294 20 0 DEADHO C[NH+](C)Cc1cccc(CNC(=O)CN2CCC(C)(C)C2)c1 ZINC000563739221 292071847 /nfs/dbraw/zinc/07/18/47/292071847.db2.gz NABXCJCDFJBDIR-UHFFFAOYSA-N 1 3 303.450 2.096 20 0 DEADHO CC[NH+]1CCC(CNC(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000563862587 292076807 /nfs/dbraw/zinc/07/68/07/292076807.db2.gz GIQDVCFIQBDEFA-UHFFFAOYSA-N 1 3 303.450 2.210 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000564943840 292122676 /nfs/dbraw/zinc/12/26/76/292122676.db2.gz SAPXNWBPKZQGRU-UHFFFAOYSA-N 1 3 315.461 2.352 20 0 DEADHO NC1(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CCCC1 ZINC000178688592 144862541 /nfs/dbraw/zinc/86/25/41/144862541.db2.gz ZQKCXOUIYZXZOV-UHFFFAOYSA-N 1 3 315.461 2.081 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000246762648 145113058 /nfs/dbraw/zinc/11/30/58/145113058.db2.gz OYHGIKZJDZJRLS-DLBZAZTESA-N 1 3 307.482 2.195 20 0 DEADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(C(=O)C3CCCCC3)C2)[C@H](C)C1 ZINC000246955816 145120655 /nfs/dbraw/zinc/12/06/55/145120655.db2.gz HPBJTGKSLXZIGV-NJAFHUGGSA-N 1 3 321.509 2.488 20 0 DEADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(C(=O)C3CCCCC3)C2)[C@H](C)C1 ZINC000246955816 145120656 /nfs/dbraw/zinc/12/06/56/145120656.db2.gz HPBJTGKSLXZIGV-NJAFHUGGSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)N(C)C ZINC000247004330 145123232 /nfs/dbraw/zinc/12/32/32/145123232.db2.gz LVJVDGLCAZETFG-IXDOHACOSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)N(C)C ZINC000247004330 145123233 /nfs/dbraw/zinc/12/32/33/145123233.db2.gz LVJVDGLCAZETFG-IXDOHACOSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)CN(C)C ZINC000247967085 145145162 /nfs/dbraw/zinc/14/51/62/145145162.db2.gz IFELYSDUPSDVRI-SJLPKXTDSA-N 1 3 318.509 2.469 20 0 DEADHO COC(=O)c1ccccc1CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000248565288 145159680 /nfs/dbraw/zinc/15/96/80/145159680.db2.gz OOUIZPQAVLLGPI-FUHWJXTLSA-N 1 3 316.445 2.432 20 0 DEADHO COC(=O)c1ccccc1CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000248565288 145159681 /nfs/dbraw/zinc/15/96/81/145159681.db2.gz OOUIZPQAVLLGPI-FUHWJXTLSA-N 1 3 316.445 2.432 20 0 DEADHO [NH3+][C@H](CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000261536597 145205859 /nfs/dbraw/zinc/20/58/59/145205859.db2.gz QMSKWZZDDUMHCA-RTBURBONSA-N 1 3 323.440 2.467 20 0 DEADHO C[C@H]1Cc2ccccc2N1C(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000261826920 145231164 /nfs/dbraw/zinc/23/11/64/145231164.db2.gz BEUJXUCUNIPZMG-GJZGRUSLSA-N 1 3 301.434 2.025 20 0 DEADHO C[NH2+]CCC1CCN([C@@H](C)C(=O)NCc2ccc(F)cc2)CC1 ZINC000261986257 145250158 /nfs/dbraw/zinc/25/01/58/145250158.db2.gz KAPZIGQDKDPNBT-AWEZNQCLSA-N 1 3 321.440 2.152 20 0 DEADHO C[NH2+]CCC1CCN([C@@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000262016775 145253863 /nfs/dbraw/zinc/25/38/63/145253863.db2.gz WGIRYLLWOBXHEB-INIZCTEOSA-N 1 3 317.477 2.355 20 0 DEADHO Cc1ccc(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])c(C)c1 ZINC000262063097 145258711 /nfs/dbraw/zinc/25/87/11/145258711.db2.gz RHTQVAUPYOAFLH-QGZVFWFLSA-N 1 3 303.450 2.123 20 0 DEADHO CCSc1cccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000262117751 145263258 /nfs/dbraw/zinc/26/32/58/145263258.db2.gz LOJOVQFONBJFCB-INIZCTEOSA-N 1 3 305.491 2.278 20 0 DEADHO c1cncc(-c2cccc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)c2)c1 ZINC000262174747 145267349 /nfs/dbraw/zinc/26/73/49/145267349.db2.gz VUKSGKBVFDBBNN-HXUWFJFHSA-N 1 3 322.456 2.228 20 0 DEADHO C[C@@H](CN1CC[C@@H](N2CC[NH2+]CC2)C1)c1cccc(Cl)c1 ZINC000262194714 145268949 /nfs/dbraw/zinc/26/89/49/145268949.db2.gz ZFJXUGZJHGHAHU-WMLDXEAASA-N 1 3 307.869 2.423 20 0 DEADHO COc1ccccc1N1CCN(C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000262451186 145285352 /nfs/dbraw/zinc/28/53/52/145285352.db2.gz HVQZZZRNKUWQJP-HOTGVXAUSA-N 1 3 303.450 2.205 20 0 DEADHO CC(C)(C)c1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262468349 145286108 /nfs/dbraw/zinc/28/61/08/145286108.db2.gz JAZZLPQRTYSOFB-SFHVURJKSA-N 1 3 301.478 2.464 20 0 DEADHO NCc1cc(NC(=O)C[C@@H]2CCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000263012097 145318328 /nfs/dbraw/zinc/31/83/28/145318328.db2.gz RGVJZTUWLIKWEL-NSHDSACASA-N 1 3 301.312 2.245 20 0 DEADHO C[NH2+]CCCC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000309924682 145350173 /nfs/dbraw/zinc/35/01/73/145350173.db2.gz WZNFUQMZIXGFFF-KRWDZBQOSA-N 1 3 303.450 2.014 20 0 DEADHO C[C@H](C(=O)N1CCC(CC[NH+](C)C)CC1)N1CCCCCC1 ZINC000346131565 146020837 /nfs/dbraw/zinc/02/08/37/146020837.db2.gz OSJDPQXABRNZLA-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]CCCN2CCCC2)[C@@H](C)C1 ZINC000346574340 146104488 /nfs/dbraw/zinc/10/44/88/146104488.db2.gz SXMNZOAOYDMTMU-ROUUACIJSA-N 1 3 311.514 2.199 20 0 DEADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3cc(-n4ccnc4)cs3)C[C@H]21 ZINC000346851827 146153621 /nfs/dbraw/zinc/15/36/21/146153621.db2.gz RDDYQNNYDOYASO-APHBMKBZSA-N 1 3 302.447 2.493 20 0 DEADHO C[N@@H+]1CC[C@H](NC[C@](C)(CO)c2ccccc2)[C@H]2CCC[C@H]21 ZINC000348296664 146250167 /nfs/dbraw/zinc/25/01/67/146250167.db2.gz XAMHXDHCMZXYQK-FCGDIQPGSA-N 1 3 302.462 2.399 20 0 DEADHO C[N@H+]1CC[C@H](NC[C@](C)(CO)c2ccccc2)[C@H]2CCC[C@H]21 ZINC000348296664 146250169 /nfs/dbraw/zinc/25/01/69/146250169.db2.gz XAMHXDHCMZXYQK-FCGDIQPGSA-N 1 3 302.462 2.399 20 0 DEADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc2c(c1)CCO2 ZINC000349073821 146347028 /nfs/dbraw/zinc/34/70/28/146347028.db2.gz LGMYGTDNKVWAHO-UHFFFAOYSA-N 1 3 317.477 2.079 20 0 DEADHO CCc1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)cn1 ZINC000349077993 146347492 /nfs/dbraw/zinc/34/74/92/146347492.db2.gz RGYWECUFUHZKFY-UHFFFAOYSA-N 1 3 304.482 2.102 20 0 DEADHO CCC[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cccnc1 ZINC000349445561 146379274 /nfs/dbraw/zinc/37/92/74/146379274.db2.gz FVCIYUVKOGBVLO-DLBZAZTESA-N 1 3 318.465 2.100 20 0 DEADHO COc1cc(CN2CCC([C@H]3CC[NH2+]C3)CC2)cc2c1OCO2 ZINC000357052330 147031287 /nfs/dbraw/zinc/03/12/87/147031287.db2.gz NQYPZARJNGVHIA-HNNXBMFYSA-N 1 3 318.417 2.245 20 0 DEADHO Cc1ccccc1NC(=O)[C@@H](C)N1CCC2(C1)CC[NH2+]CC2 ZINC000358521661 147149657 /nfs/dbraw/zinc/14/96/57/147149657.db2.gz YHKOUFFVJQSMCU-OAHLLOKOSA-N 1 3 301.434 2.398 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCN1C ZINC000565432888 292162167 /nfs/dbraw/zinc/16/21/67/292162167.db2.gz OXRFICUUITYPDS-NXHRZFHOSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000565432888 292162169 /nfs/dbraw/zinc/16/21/69/292162169.db2.gz OXRFICUUITYPDS-NXHRZFHOSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000359345509 147311261 /nfs/dbraw/zinc/31/12/61/147311261.db2.gz BHIHYLHXFFQVEB-LSDHHAIUSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000359345509 147311264 /nfs/dbraw/zinc/31/12/64/147311264.db2.gz BHIHYLHXFFQVEB-LSDHHAIUSA-N 1 3 322.497 2.033 20 0 DEADHO COc1ccccc1[C@H](CN[C@H]1CCC[C@@H]1[NH3+])N1CCCC1 ZINC000565475155 292164211 /nfs/dbraw/zinc/16/42/11/292164211.db2.gz XDLUMGBFIRHYQC-ULQDDVLXSA-N 1 3 303.450 2.302 20 0 DEADHO COc1ccccc1[C@H](C[NH2+][C@H]1CCC[C@@H]1N)N1CCCC1 ZINC000565475155 292164213 /nfs/dbraw/zinc/16/42/13/292164213.db2.gz XDLUMGBFIRHYQC-ULQDDVLXSA-N 1 3 303.450 2.302 20 0 DEADHO C[C@H](NC(=O)[C@H]([NH3+])C1CCC1)c1nc(C2CCCCC2)no1 ZINC000565651979 292175065 /nfs/dbraw/zinc/17/50/65/292175065.db2.gz WFZOFUUZWDFMAZ-GXFFZTMASA-N 1 3 306.410 2.422 20 0 DEADHO C[C@H](C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)[C@@H](N)c1ccccc1 ZINC000371227695 148075466 /nfs/dbraw/zinc/07/54/66/148075466.db2.gz FDUMAZGHXZOVDA-BMGDILEWSA-N 1 3 315.461 2.313 20 0 DEADHO O[C@@H]1CCCC[C@H]1CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000566088790 292204007 /nfs/dbraw/zinc/20/40/07/292204007.db2.gz NGJBXPSRWLGOMY-ITQYTPKQSA-N 1 3 316.445 2.383 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000073664108 401719815 /nfs/dbraw/zinc/71/98/15/401719815.db2.gz PRFJHZSJLFQUFH-MRXNPFEDSA-N 1 3 324.513 2.282 20 0 DEADHO FC(F)(F)CN1CCC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000130151573 401820376 /nfs/dbraw/zinc/82/03/76/401820376.db2.gz GGCFNUGGJVEIFQ-KBPBESRZSA-N 1 3 305.388 2.230 20 0 DEADHO FC(F)(F)CN1CCC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000130151573 401820378 /nfs/dbraw/zinc/82/03/78/401820378.db2.gz GGCFNUGGJVEIFQ-KBPBESRZSA-N 1 3 305.388 2.230 20 0 DEADHO FC(F)(F)CN1CCC([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000130151573 401820380 /nfs/dbraw/zinc/82/03/80/401820380.db2.gz GGCFNUGGJVEIFQ-KBPBESRZSA-N 1 3 305.388 2.230 20 0 DEADHO CC[C@@H](N)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000130306177 401826585 /nfs/dbraw/zinc/82/65/85/401826585.db2.gz FNHWOLNUSMDXMI-QGZVFWFLSA-N 1 3 303.450 2.272 20 0 DEADHO CC[NH+](CC)CC(=O)NC1CCN(Cc2ccsc2)CC1 ZINC000115444250 401828605 /nfs/dbraw/zinc/82/86/05/401828605.db2.gz GGHBMTBCUGXYLK-UHFFFAOYSA-N 1 3 309.479 2.171 20 0 DEADHO CC(C)[C@@H](C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)N(C)C ZINC000130561095 401835293 /nfs/dbraw/zinc/83/52/93/401835293.db2.gz BDXIHZHVVGQMSZ-ZACQAIPSSA-N 1 3 311.514 2.447 20 0 DEADHO C[C@H]1CCN(C(=O)C[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000130896776 401840487 /nfs/dbraw/zinc/84/04/87/401840487.db2.gz DURJPDXFNQBATC-WMZOPIPTSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@H]1C[NH+](CC2CCN(Cc3ccncc3)CC2)C[C@H](C)O1 ZINC000078802011 401866258 /nfs/dbraw/zinc/86/62/58/401866258.db2.gz KFZPAYRSHINURV-HOTGVXAUSA-N 1 3 303.450 2.403 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)CC1 ZINC000085401240 401915601 /nfs/dbraw/zinc/91/56/01/401915601.db2.gz GCUKMWFPTBJBQI-RDJZCZTQSA-N 1 3 324.513 2.233 20 0 DEADHO CN(C)CCOc1cc(C[NH2+]C[C@H]2C[C@@H]3C=C[C@H]2C3)ccn1 ZINC000136240587 401963888 /nfs/dbraw/zinc/96/38/88/401963888.db2.gz OKGXGFOPXTZQFF-HYVNUMGLSA-N 1 3 301.434 2.324 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C[C@H](N)c2ccccc2)C1 ZINC000119749338 401965227 /nfs/dbraw/zinc/96/52/27/401965227.db2.gz XSRNIFHVDQCRDO-WBVHZDCISA-N 1 3 303.450 2.267 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@H](N)c2ccccc2)C1 ZINC000119749338 401965228 /nfs/dbraw/zinc/96/52/28/401965228.db2.gz XSRNIFHVDQCRDO-WBVHZDCISA-N 1 3 303.450 2.267 20 0 DEADHO CC(C)C[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)N1CCOCC1 ZINC000121240051 402022593 /nfs/dbraw/zinc/02/25/93/402022593.db2.gz LNHYANPRGUNQJQ-BRSBDYLESA-N 1 3 311.514 2.052 20 0 DEADHO CC(C)C[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N1CCOCC1 ZINC000121240051 402022596 /nfs/dbraw/zinc/02/25/96/402022596.db2.gz LNHYANPRGUNQJQ-BRSBDYLESA-N 1 3 311.514 2.052 20 0 DEADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cnn(C(C)C)c2)CC1 ZINC000121363865 402031020 /nfs/dbraw/zinc/03/10/20/402031020.db2.gz USQNESQOLMYAHS-DLBZAZTESA-N 1 3 321.513 2.388 20 0 DEADHO Cc1cccc([C@@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000121401724 402033734 /nfs/dbraw/zinc/03/37/34/402033734.db2.gz OGFCPEHUUAZUIM-MRXNPFEDSA-N 1 3 305.466 2.050 20 0 DEADHO CN(C)CCNC(=O)c1cccc(C[NH2+]C[C@H]2CC=CCC2)c1 ZINC000121621572 402046405 /nfs/dbraw/zinc/04/64/05/402046405.db2.gz BHBADROZZYMTJF-INIZCTEOSA-N 1 3 315.461 2.424 20 0 DEADHO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000120871709 402005085 /nfs/dbraw/zinc/00/50/85/402005085.db2.gz FVOJHCCGISPFGB-CABCVRRESA-N 1 3 323.506 2.112 20 0 DEADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC1CCN(C2CC2)CC1 ZINC000056786599 402090607 /nfs/dbraw/zinc/09/06/07/402090607.db2.gz MSVAHNAQUULXGW-HUUCEWRRSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC1CCN(C2CC2)CC1 ZINC000056786599 402090609 /nfs/dbraw/zinc/09/06/09/402090609.db2.gz MSVAHNAQUULXGW-HUUCEWRRSA-N 1 3 322.497 2.033 20 0 DEADHO CCN(CC)C(=O)C[C@H](C)NCc1ccc(C[NH+](C)C)cc1 ZINC000122946121 402102891 /nfs/dbraw/zinc/10/28/91/402102891.db2.gz QWZJOARVBJKNPW-HNNXBMFYSA-N 1 3 305.466 2.485 20 0 DEADHO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000122946121 402102894 /nfs/dbraw/zinc/10/28/94/402102894.db2.gz QWZJOARVBJKNPW-HNNXBMFYSA-N 1 3 305.466 2.485 20 0 DEADHO CCc1ccc(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])s1 ZINC000566230310 292219547 /nfs/dbraw/zinc/21/95/47/292219547.db2.gz APBCRJSSBYPUSA-CYBMUJFWSA-N 1 3 309.479 2.130 20 0 DEADHO CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000153451801 402146390 /nfs/dbraw/zinc/14/63/90/402146390.db2.gz OYEVWXYAVORDPS-JKSUJKDBSA-N 1 3 324.513 2.375 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000103132255 402179536 /nfs/dbraw/zinc/17/95/36/402179536.db2.gz MRPZOQOORUVDGQ-GOSISDBHSA-N 1 3 317.477 2.007 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000103132255 402179538 /nfs/dbraw/zinc/17/95/38/402179538.db2.gz MRPZOQOORUVDGQ-GOSISDBHSA-N 1 3 317.477 2.007 20 0 DEADHO CC[C@H](C)[C@H](C)N(CC(=O)NC1CC[NH+](CC)CC1)C1CC1 ZINC000104966222 402206237 /nfs/dbraw/zinc/20/62/37/402206237.db2.gz CEYWEXZEDKCVPC-GJZGRUSLSA-N 1 3 309.498 2.486 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H]2CCCN(C)C2)[C@H](C)C1 ZINC000158154232 402302877 /nfs/dbraw/zinc/30/28/77/402302877.db2.gz UHYHFTWEQBMLJZ-SQNIBIBYSA-N 1 3 311.514 2.055 20 0 DEADHO CCN(CC)[C@H](CNC(=O)C(C)(C)C[NH3+])c1cccc(OC)c1 ZINC000236873063 402386770 /nfs/dbraw/zinc/38/67/70/402386770.db2.gz HXJXPSQGZCHXBM-MRXNPFEDSA-N 1 3 321.465 2.179 20 0 DEADHO CC1CC[NH+](Cc2cccc(CNC(=O)C3(N)CC3)c2)CC1 ZINC000236638167 402370599 /nfs/dbraw/zinc/37/05/99/402370599.db2.gz MYZBGNCFZMPYCE-UHFFFAOYSA-N 1 3 301.434 2.026 20 0 DEADHO CC1CCN([C@H](CNC(=O)[C@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000236661381 402372189 /nfs/dbraw/zinc/37/21/89/402372189.db2.gz GVCUOIGQWPFXSM-QZTJIDSGSA-N 1 3 315.461 2.328 20 0 DEADHO CC(C)O[C@H]1C[C@@H]([NH2+]CCCN2CCCN(C)CC2)C1(C)C ZINC000185220231 402336107 /nfs/dbraw/zinc/33/61/07/402336107.db2.gz CEHAJMHLURYSSC-SJORKVTESA-N 1 3 311.514 2.196 20 0 DEADHO C[C@H](CNC(=O)N(C)CCC[NH+](C)C)N(C)Cc1ccccc1 ZINC000186150304 402405557 /nfs/dbraw/zinc/40/55/57/402405557.db2.gz GNLGACDGCOKKCE-MRXNPFEDSA-N 1 3 320.481 2.100 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)C2CC[NH2+]CC2)CC1 ZINC000237407798 402406945 /nfs/dbraw/zinc/40/69/45/402406945.db2.gz VZCAURGJXSZGEI-OAHLLOKOSA-N 1 3 315.461 2.328 20 0 DEADHO C[C@@H]1CN[C@@H](C)CN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000237571957 402413042 /nfs/dbraw/zinc/41/30/42/402413042.db2.gz FJQNJDFAHLUNOW-LSDHHAIUSA-N 1 3 301.434 2.105 20 0 DEADHO CN(C)Cc1ccc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000177544231 402414552 /nfs/dbraw/zinc/41/45/52/402414552.db2.gz JLOYVUIWRKVYAC-IRXDYDNUSA-N 1 3 303.450 2.351 20 0 DEADHO C[C@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)[C@@H]1C[NH3+] ZINC000237654282 402417200 /nfs/dbraw/zinc/41/72/00/402417200.db2.gz GBLAVULBEWRSSI-MAUKXSAKSA-N 1 3 315.461 2.482 20 0 DEADHO C[C@@H]1C[C@H](NC[C@@H]2CCCN2C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000178002236 402451388 /nfs/dbraw/zinc/45/13/88/402451388.db2.gz QEXRXLWFFXWLFC-KFWWJZLASA-N 1 3 311.470 2.458 20 0 DEADHO C[C@@H]1C[C@H](NC[C@@H]2CCCN2C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000178002236 402451391 /nfs/dbraw/zinc/45/13/91/402451391.db2.gz QEXRXLWFFXWLFC-KFWWJZLASA-N 1 3 311.470 2.458 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(C[NH3+])cc1 ZINC000186489713 402435612 /nfs/dbraw/zinc/43/56/12/402435612.db2.gz ZKAWZXLCJQZWDD-OAHLLOKOSA-N 1 3 311.429 2.396 20 0 DEADHO CN1CCC[C@@H](CNC(=O)CC(C)(C)[NH3+])[C@@H]1c1cccs1 ZINC000237079719 402394143 /nfs/dbraw/zinc/39/41/43/402394143.db2.gz TXOMLFAAWDOXPU-SWLSCSKDSA-N 1 3 309.479 2.375 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@H]([NH3+])[C@@H](C)CC)N(C)C)cc1 ZINC000237077402 402394205 /nfs/dbraw/zinc/39/42/05/402394205.db2.gz XHKVWRZNHMPJRQ-RRQGHBQHSA-N 1 3 305.466 2.341 20 0 DEADHO C[C@H](CNC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000245201998 402452601 /nfs/dbraw/zinc/45/26/01/402452601.db2.gz OKXCMRRHMFNYLR-UUAJXVIYSA-N 1 3 309.498 2.484 20 0 DEADHO C[C@H](CNC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000245201998 402452603 /nfs/dbraw/zinc/45/26/03/402452603.db2.gz OKXCMRRHMFNYLR-UUAJXVIYSA-N 1 3 309.498 2.484 20 0 DEADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000245559814 402470956 /nfs/dbraw/zinc/47/09/56/402470956.db2.gz BQNXAUSATYVQDZ-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000245559814 402470959 /nfs/dbraw/zinc/47/09/59/402470959.db2.gz BQNXAUSATYVQDZ-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H]([NH2+]Cc1ccc(CN(C)C)cc1)C1CCS(=O)(=O)CC1 ZINC000186945877 402473197 /nfs/dbraw/zinc/47/31/97/402473197.db2.gz SUNQLCFZZBQLHN-AWEZNQCLSA-N 1 3 324.490 2.051 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000245663313 402478085 /nfs/dbraw/zinc/47/80/85/402478085.db2.gz DKQOYJUZTJPERU-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000245663313 402478086 /nfs/dbraw/zinc/47/80/86/402478086.db2.gz DKQOYJUZTJPERU-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCN(CCCc2nc(-c3cccs3)no2)C1 ZINC000168679963 402497960 /nfs/dbraw/zinc/49/79/60/402497960.db2.gz YJFRPAFKEAXFBV-NWDGAFQWSA-N 1 3 306.435 2.400 20 0 DEADHO CC(C)[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000168785090 402498575 /nfs/dbraw/zinc/49/85/75/402498575.db2.gz TUTYLDSNVMPOHQ-FBVQUNGASA-N 1 3 315.461 2.282 20 0 DEADHO CC(C)[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000168785090 402498576 /nfs/dbraw/zinc/49/85/76/402498576.db2.gz TUTYLDSNVMPOHQ-FBVQUNGASA-N 1 3 315.461 2.282 20 0 DEADHO C[C@H]([NH3+])C1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000178856415 402547133 /nfs/dbraw/zinc/54/71/33/402547133.db2.gz BPVXLXPLKNJEBR-HNNXBMFYSA-N 1 3 315.461 2.482 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000246930789 402549703 /nfs/dbraw/zinc/54/97/03/402549703.db2.gz MPHLLHXESXRCPJ-HRCADAONSA-N 1 3 322.497 2.175 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000246930789 402549705 /nfs/dbraw/zinc/54/97/05/402549705.db2.gz MPHLLHXESXRCPJ-HRCADAONSA-N 1 3 322.497 2.175 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000246951567 402551142 /nfs/dbraw/zinc/55/11/42/402551142.db2.gz KNHBJQOULHVMCX-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)N1CCC[C@@H](C)C1 ZINC000247193323 402559490 /nfs/dbraw/zinc/55/94/90/402559490.db2.gz WRBNOMNFOWNAQJ-QBPKDAKJSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCCN2CCCCC2)C1 ZINC000178734752 402532804 /nfs/dbraw/zinc/53/28/04/402532804.db2.gz OBGPSVFEIGLEBC-KRWDZBQOSA-N 1 3 324.513 2.140 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCCN2CCCCC2)C1 ZINC000178734752 402532806 /nfs/dbraw/zinc/53/28/06/402532806.db2.gz OBGPSVFEIGLEBC-KRWDZBQOSA-N 1 3 324.513 2.140 20 0 DEADHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc2c(c1)CCO2 ZINC000178778240 402538695 /nfs/dbraw/zinc/53/86/95/402538695.db2.gz MJJBACLGDZBTLL-INIZCTEOSA-N 1 3 317.477 2.300 20 0 DEADHO C[C@@H](C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1)[C@H](C)[NH3+] ZINC000192101407 402711472 /nfs/dbraw/zinc/71/14/72/402711472.db2.gz QEEHHNOHZMKQNO-MNOVXSKESA-N 1 3 313.829 2.202 20 0 DEADHO C(N1C[C@@H]2CCC[C@@H]2C1)C1(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)COC1 ZINC000182227466 402673876 /nfs/dbraw/zinc/67/38/76/402673876.db2.gz BZCPIWCMEAQCEX-USTZCAOPSA-N 1 3 304.478 2.467 20 0 DEADHO C(N1C[C@@H]2CCC[C@@H]2C1)C1(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)COC1 ZINC000182227466 402673877 /nfs/dbraw/zinc/67/38/77/402673877.db2.gz BZCPIWCMEAQCEX-USTZCAOPSA-N 1 3 304.478 2.467 20 0 DEADHO CCN1CC[C@@H]([NH2+]Cc2ccccc2N2CCOCC2)[C@H](C)C1 ZINC000173362606 402694297 /nfs/dbraw/zinc/69/42/97/402694297.db2.gz CVYOURCRENKHCW-SJLPKXTDSA-N 1 3 317.477 2.343 20 0 DEADHO CN1CCC[C@H]1CC[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000182948061 402728717 /nfs/dbraw/zinc/72/87/17/402728717.db2.gz QOWYRBMNPSFGHG-IBGZPJMESA-N 1 3 323.525 2.295 20 0 DEADHO C[N@@H+]1CCC[C@H]1CCN1CCC(CCCN2CCOCC2)CC1 ZINC000182948061 402728720 /nfs/dbraw/zinc/72/87/20/402728720.db2.gz QOWYRBMNPSFGHG-IBGZPJMESA-N 1 3 323.525 2.295 20 0 DEADHO C[N@H+]1CCC[C@H]1CCN1CCC(CCCN2CCOCC2)CC1 ZINC000182948061 402728721 /nfs/dbraw/zinc/72/87/21/402728721.db2.gz QOWYRBMNPSFGHG-IBGZPJMESA-N 1 3 323.525 2.295 20 0 DEADHO CC(C)C[C@H](N)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000262705194 402729897 /nfs/dbraw/zinc/72/98/97/402729897.db2.gz LWAFEFHYTGDFSC-IKGGRYGDSA-N 1 3 309.498 2.473 20 0 DEADHO CC(C)C[C@H](N)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000262705194 402729901 /nfs/dbraw/zinc/72/99/01/402729901.db2.gz LWAFEFHYTGDFSC-IKGGRYGDSA-N 1 3 309.498 2.473 20 0 DEADHO CCOC[C@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192740936 402747154 /nfs/dbraw/zinc/74/71/54/402747154.db2.gz OOSJZAQIANRLHW-SFHVURJKSA-N 1 3 311.514 2.151 20 0 DEADHO CCOC[C@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192740936 402747156 /nfs/dbraw/zinc/74/71/56/402747156.db2.gz OOSJZAQIANRLHW-SFHVURJKSA-N 1 3 311.514 2.151 20 0 DEADHO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000263260897 402751868 /nfs/dbraw/zinc/75/18/68/402751868.db2.gz MFEGIAPUWNVLMF-RCCFBDPRSA-N 1 3 315.461 2.285 20 0 DEADHO CCN(C)CCNC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000175392704 402802348 /nfs/dbraw/zinc/80/23/48/402802348.db2.gz QENKAVGVXGSASR-INIZCTEOSA-N 1 3 320.481 2.148 20 0 DEADHO CCN(C)CCNC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000175392704 402802349 /nfs/dbraw/zinc/80/23/49/402802349.db2.gz QENKAVGVXGSASR-INIZCTEOSA-N 1 3 320.481 2.148 20 0 DEADHO C[NH+](C)[C@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000264394001 402874187 /nfs/dbraw/zinc/87/41/87/402874187.db2.gz CTFVBDHZAWEWOV-SFHVURJKSA-N 1 3 315.461 2.449 20 0 DEADHO CN(C(=O)/C=C/C[NH+](C)C)C1CCN(Cc2ccccc2)CC1 ZINC000265698338 402941358 /nfs/dbraw/zinc/94/13/58/402941358.db2.gz PSBGRSDUHWCLAA-JXMROGBWSA-N 1 3 315.461 2.227 20 0 DEADHO CN1CCC(O)(C[NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000265828933 402954416 /nfs/dbraw/zinc/95/44/16/402954416.db2.gz CNZQWQVUOADVGR-UHFFFAOYSA-N 1 3 302.340 2.252 20 0 DEADHO Cn1cc(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)cn1 ZINC000272598309 402957747 /nfs/dbraw/zinc/95/77/47/402957747.db2.gz TUINFQSGSNQYHW-XUVXKRRUSA-N 1 3 324.472 2.463 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CCCCC[NH2+]2)N(C)C)cc1 ZINC000372485139 292253161 /nfs/dbraw/zinc/25/31/61/292253161.db2.gz POIJZGGQNQRVHD-IRXDYDNUSA-N 1 3 303.450 2.246 20 0 DEADHO C[C@H](CNC(=O)c1oc2ccccc2c1CN(C)C)[NH+](C)C ZINC000266514410 402969835 /nfs/dbraw/zinc/96/98/35/402969835.db2.gz HSEMWCGVYHLUHR-GFCCVEGCSA-N 1 3 303.406 2.174 20 0 DEADHO C[C@@H](CC(N)=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000267240742 403028352 /nfs/dbraw/zinc/02/83/52/403028352.db2.gz MOSGUUXSULPDQK-GJZGRUSLSA-N 1 3 303.450 2.272 20 0 DEADHO C[C@@H](CC(N)=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000267240742 403028353 /nfs/dbraw/zinc/02/83/53/403028353.db2.gz MOSGUUXSULPDQK-GJZGRUSLSA-N 1 3 303.450 2.272 20 0 DEADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCNC(=O)C1CC1 ZINC000268733318 403110822 /nfs/dbraw/zinc/11/08/22/403110822.db2.gz PDNRLTRXPZZJTP-MAUKXSAKSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCNC(=O)C1CC1 ZINC000268733318 403110824 /nfs/dbraw/zinc/11/08/24/403110824.db2.gz PDNRLTRXPZZJTP-MAUKXSAKSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCNC(=O)c1ccc(Cl)cc1 ZINC000268791205 403114182 /nfs/dbraw/zinc/11/41/82/403114182.db2.gz BXBNPEHMCDVFMD-IOASZLSFSA-N 1 3 323.868 2.388 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCNC(=O)c1ccc(Cl)cc1 ZINC000268791205 403114183 /nfs/dbraw/zinc/11/41/83/403114183.db2.gz BXBNPEHMCDVFMD-IOASZLSFSA-N 1 3 323.868 2.388 20 0 DEADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CC1(N(C)C)Cc2ccccc2C1 ZINC000268920031 403121342 /nfs/dbraw/zinc/12/13/42/403121342.db2.gz UHQWVTQHLGYOIY-MDZRGWNJSA-N 1 3 315.505 2.404 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)[C@@H](N)Cc1ccccc1 ZINC000269265758 403126368 /nfs/dbraw/zinc/12/63/68/403126368.db2.gz ZENKQHBWELJFPE-KRWDZBQOSA-N 1 3 305.466 2.185 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C[NH2+]CC1CC1 ZINC000269277997 403127686 /nfs/dbraw/zinc/12/76/86/403127686.db2.gz YPYZRGNLPCOLBS-QAPCUYQASA-N 1 3 315.461 2.013 20 0 DEADHO C[C@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)CC[C@H]1[NH3+] ZINC000269287249 403128230 /nfs/dbraw/zinc/12/82/30/403128230.db2.gz SQCWOUKJVDKPMW-WMLDXEAASA-N 1 3 301.434 2.092 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@@]2(C)CCC[NH2+]C2)CN1Cc1ccccc1 ZINC000269419795 403137976 /nfs/dbraw/zinc/13/79/76/403137976.db2.gz KJNNQQXRYMOGOM-SUMDDJOVSA-N 1 3 315.461 2.155 20 0 DEADHO CC1(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)COC1 ZINC000285447167 403298637 /nfs/dbraw/zinc/29/86/37/403298637.db2.gz LVQPEUXMRYVUTK-UHFFFAOYSA-N 1 3 317.477 2.215 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)N(C)C)cc1 ZINC000342696737 403312082 /nfs/dbraw/zinc/31/20/82/403312082.db2.gz RLBFYMHIYOLQCC-QGTPRVQTSA-N 1 3 317.477 2.356 20 0 DEADHO CN(CCNC(=O)c1ccccc1CC1CC[NH2+]CC1)C1CC1 ZINC000342766219 403341695 /nfs/dbraw/zinc/34/16/95/403341695.db2.gz SSGDGVVCWCIJPH-UHFFFAOYSA-N 1 3 315.461 2.053 20 0 DEADHO C[NH+]1CCC(NC(=O)c2ccc(Nc3ccncc3)cc2)CC1 ZINC000345662598 403426900 /nfs/dbraw/zinc/42/69/00/403426900.db2.gz KUMOOQYVCQSJHD-UHFFFAOYSA-N 1 3 310.401 2.071 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H]([NH3+])CC(F)F)c1ccsc1 ZINC000345767983 403476633 /nfs/dbraw/zinc/47/66/33/403476633.db2.gz WLOGRLFHQMXFCO-NWDGAFQWSA-N 1 3 319.421 2.230 20 0 DEADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N2CCCN(C)CC2)C1 ZINC000339988244 403517147 /nfs/dbraw/zinc/51/71/47/403517147.db2.gz SSANEPIMBUVZKE-HOTGVXAUSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H](CC[NH+](C)C)NC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000287218819 403557292 /nfs/dbraw/zinc/55/72/92/403557292.db2.gz NANQLSODOQQTBJ-INMHGKMJSA-N 1 3 320.481 2.317 20 0 DEADHO C[C@H](CNC[C@H]1C[NH2+]C[C@H]1O)Cc1ccc(C(C)(C)C)cc1 ZINC000345992265 403562211 /nfs/dbraw/zinc/56/22/11/403562211.db2.gz APKJUAXUADDDEP-QILLFSRXSA-N 1 3 304.478 2.333 20 0 DEADHO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@H]2CCCc3ccccc32)C1 ZINC000346088758 403572609 /nfs/dbraw/zinc/57/26/09/403572609.db2.gz UWHRXNKNHNECOS-AEFFLSMTSA-N 1 3 315.461 2.241 20 0 DEADHO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@H]2CCCc3ccccc32)C1 ZINC000346088758 403572614 /nfs/dbraw/zinc/57/26/14/403572614.db2.gz UWHRXNKNHNECOS-AEFFLSMTSA-N 1 3 315.461 2.241 20 0 DEADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC[C@H]2CCCOC2)cc1 ZINC000414891657 286362644 /nfs/dbraw/zinc/36/26/44/286362644.db2.gz VZCCZFRUHUWTOK-JLSDUUJJSA-N 1 3 304.434 2.157 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000340815330 403662767 /nfs/dbraw/zinc/66/27/67/403662767.db2.gz GQWNUJZZOBNOFV-IKGGRYGDSA-N 1 3 307.482 2.335 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000340815330 403662771 /nfs/dbraw/zinc/66/27/71/403662771.db2.gz GQWNUJZZOBNOFV-IKGGRYGDSA-N 1 3 307.482 2.335 20 0 DEADHO C[C@@H](CN(C)C)NC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000287832149 403675103 /nfs/dbraw/zinc/67/51/03/403675103.db2.gz YGIXSIIGUXDAPN-HOTGVXAUSA-N 1 3 320.481 2.146 20 0 DEADHO C[C@@H](CN(C)C)NC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000287832149 403675107 /nfs/dbraw/zinc/67/51/07/403675107.db2.gz YGIXSIIGUXDAPN-HOTGVXAUSA-N 1 3 320.481 2.146 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)CCCN1C ZINC000343658998 403681693 /nfs/dbraw/zinc/68/16/93/403681693.db2.gz RXNINDFOZOEGAM-NVXWUHKLSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)CCCN1C ZINC000343658998 403681694 /nfs/dbraw/zinc/68/16/94/403681694.db2.gz RXNINDFOZOEGAM-NVXWUHKLSA-N 1 3 324.513 2.423 20 0 DEADHO CN1CC=C(CNC(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000343693823 403694993 /nfs/dbraw/zinc/69/49/93/403694993.db2.gz NSSUFIKRQJVFMH-UHFFFAOYSA-N 1 3 322.497 2.204 20 0 DEADHO C[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCCC[C@@H]1C ZINC000340937191 403705097 /nfs/dbraw/zinc/70/50/97/403705097.db2.gz LAMSELRHIQQIGX-HZMVEIRTSA-N 1 3 322.497 2.127 20 0 DEADHO C[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCCC[C@@H]1C ZINC000340937191 403705099 /nfs/dbraw/zinc/70/50/99/403705099.db2.gz LAMSELRHIQQIGX-HZMVEIRTSA-N 1 3 322.497 2.127 20 0 DEADHO CO[C@@H]1CCN(Cc2cccc(C[N@@H+]3CC[C@@H](OC)C3)c2)C1 ZINC000343742136 403714452 /nfs/dbraw/zinc/71/44/52/403714452.db2.gz ORDSXYLMRCBFFB-QZTJIDSGSA-N 1 3 304.434 2.128 20 0 DEADHO CO[C@@H]1CCN(Cc2cccc(C[N@H+]3CC[C@@H](OC)C3)c2)C1 ZINC000343742136 403714453 /nfs/dbraw/zinc/71/44/53/403714453.db2.gz ORDSXYLMRCBFFB-QZTJIDSGSA-N 1 3 304.434 2.128 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@@H]2CCCN(C)[C@H]2C)C1 ZINC000343787449 403733575 /nfs/dbraw/zinc/73/35/75/403733575.db2.gz AAGHMLHSBYEQRA-VVLHAWIVSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N[C@@H]2CCCN(C)[C@H]2C)C1 ZINC000343787449 403733579 /nfs/dbraw/zinc/73/35/79/403733579.db2.gz AAGHMLHSBYEQRA-VVLHAWIVSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)Nc2ccc3c(c2F)CCNC3)CC[N@@H+]1C ZINC000333387142 403740198 /nfs/dbraw/zinc/74/01/98/403740198.db2.gz WYCWPHSMVXDRND-YPMHNXCESA-N 1 3 320.412 2.076 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)Nc2ccc3c(c2F)CCNC3)CC[N@H+]1C ZINC000333387142 403740201 /nfs/dbraw/zinc/74/02/01/403740201.db2.gz WYCWPHSMVXDRND-YPMHNXCESA-N 1 3 320.412 2.076 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000295233664 403805256 /nfs/dbraw/zinc/80/52/56/403805256.db2.gz SDQNVQFRRURDJF-ZIFCJYIRSA-N 1 3 315.461 2.316 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)N2CCN(CCC(C)(C)C)CC2)CC[N@@H+]1C ZINC000341206618 403832446 /nfs/dbraw/zinc/83/24/46/403832446.db2.gz SXBYWAIXSQNIBC-HOTGVXAUSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)N2CCN(CCC(C)(C)C)CC2)CC[N@H+]1C ZINC000341206618 403832452 /nfs/dbraw/zinc/83/24/52/403832452.db2.gz SXBYWAIXSQNIBC-HOTGVXAUSA-N 1 3 324.513 2.233 20 0 DEADHO COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccncc1OCCN(C)C ZINC000344080572 403895566 /nfs/dbraw/zinc/89/55/66/403895566.db2.gz OJSQHAOTUQIKFD-DOTOQJQBSA-N 1 3 321.465 2.317 20 0 DEADHO CC(C)N1CCCN(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000341215428 403839657 /nfs/dbraw/zinc/83/96/57/403839657.db2.gz SGOLJRQYVGUWQF-DLBZAZTESA-N 1 3 324.513 2.375 20 0 DEADHO CC(C)N1CCCN(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000341215428 403839663 /nfs/dbraw/zinc/83/96/63/403839663.db2.gz SGOLJRQYVGUWQF-DLBZAZTESA-N 1 3 324.513 2.375 20 0 DEADHO CC(C)N1CCCN(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000341215430 403840683 /nfs/dbraw/zinc/84/06/83/403840683.db2.gz SGOLJRQYVGUWQF-IAGOWNOFSA-N 1 3 324.513 2.375 20 0 DEADHO CC(C)N1CCCN(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000341215430 403840688 /nfs/dbraw/zinc/84/06/88/403840688.db2.gz SGOLJRQYVGUWQF-IAGOWNOFSA-N 1 3 324.513 2.375 20 0 DEADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000341242827 403860380 /nfs/dbraw/zinc/86/03/80/403860380.db2.gz WPGNGRHQPFRADR-HOCLYGCPSA-N 1 3 322.497 2.033 20 0 DEADHO O[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)C1CC1 ZINC000289178131 403862384 /nfs/dbraw/zinc/86/23/84/403862384.db2.gz AFNSYXPWOBGMHF-WJFTUGDTSA-N 1 3 300.446 2.258 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H](C)[NH2+]C2CC2)N2CCCC2)cc1 ZINC000295336957 403864168 /nfs/dbraw/zinc/86/41/68/403864168.db2.gz ZXDPCVHFKYFSHH-YJBOKZPZSA-N 1 3 315.461 2.389 20 0 DEADHO CN(Cc1ccc(C[NH+]2CCCCC2)cc1)[C@]1(CO)CCOC1 ZINC000411508806 403875547 /nfs/dbraw/zinc/87/55/47/403875547.db2.gz SRZQLJYZMPAEDP-IBGZPJMESA-N 1 3 318.461 2.256 20 0 DEADHO CSC1(CN2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000347843293 403905579 /nfs/dbraw/zinc/90/55/79/403905579.db2.gz GLJRZWNGQJNHSJ-IYBDPMFKSA-N 1 3 311.539 2.372 20 0 DEADHO CSC1(CN2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000347843293 403905591 /nfs/dbraw/zinc/90/55/91/403905591.db2.gz GLJRZWNGQJNHSJ-IYBDPMFKSA-N 1 3 311.539 2.372 20 0 DEADHO C[C@H]([NH2+][C@H]1CCCN(C)C1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000351886446 403985951 /nfs/dbraw/zinc/98/59/51/403985951.db2.gz KEHDLYJYRZIPCP-SZMVWBNQSA-N 1 3 315.461 2.107 20 0 DEADHO CC[N@H+](CCNC1CCN(Cc2ccccn2)CC1)C(C)C ZINC000341488550 403995778 /nfs/dbraw/zinc/99/57/78/403995778.db2.gz VUTPMSFMZNSROA-UHFFFAOYSA-N 1 3 304.482 2.366 20 0 DEADHO CC[N@@H+](CCNC1CCN(Cc2ccccn2)CC1)C(C)C ZINC000341488550 403995785 /nfs/dbraw/zinc/99/57/85/403995785.db2.gz VUTPMSFMZNSROA-UHFFFAOYSA-N 1 3 304.482 2.366 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)N(C)C)cc1 ZINC000289992250 404015784 /nfs/dbraw/zinc/01/57/84/404015784.db2.gz REXWBUIFFRTXGZ-OIISXLGYSA-N 1 3 303.450 2.102 20 0 DEADHO C[C@H](CC(N)=O)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000290200235 404079965 /nfs/dbraw/zinc/07/99/65/404079965.db2.gz PBBDZRRRAVHRIW-NVXWUHKLSA-N 1 3 303.450 2.142 20 0 DEADHO C[C@H](CC(N)=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000290200235 404079968 /nfs/dbraw/zinc/07/99/68/404079968.db2.gz PBBDZRRRAVHRIW-NVXWUHKLSA-N 1 3 303.450 2.142 20 0 DEADHO C[C@H](CC(N)=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290200235 404079973 /nfs/dbraw/zinc/07/99/73/404079973.db2.gz PBBDZRRRAVHRIW-NVXWUHKLSA-N 1 3 303.450 2.142 20 0 DEADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000290168049 404066854 /nfs/dbraw/zinc/06/68/54/404066854.db2.gz MNEYJEXBZUHCJW-KURKYZTESA-N 1 3 315.461 2.011 20 0 DEADHO C[NH+](C)C/C=C/C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000363185060 404107114 /nfs/dbraw/zinc/10/71/14/404107114.db2.gz OOOUUTQYAHIBSX-ZZXKWVIFSA-N 1 3 321.490 2.194 20 0 DEADHO CCC[C@](C)(O)C[NH2+]Cc1ccccc1N1CCN(CC)CC1 ZINC000344404916 404112992 /nfs/dbraw/zinc/11/29/92/404112992.db2.gz FDMRBSBSGXWCHT-IBGZPJMESA-N 1 3 319.493 2.469 20 0 DEADHO c1ccc(CCN2CCC([NH2+]CCN3CCCC3)CC2)cc1 ZINC000337643874 404154897 /nfs/dbraw/zinc/15/48/97/404154897.db2.gz GHPWKNUKXRMLPU-UHFFFAOYSA-N 1 3 301.478 2.379 20 0 DEADHO CCC[C@H]([NH2+]C(C)C)C(=O)N(CCN(C)C)Cc1ccccn1 ZINC000355024798 404163676 /nfs/dbraw/zinc/16/36/76/404163676.db2.gz ZPBCAWSDHZHPQR-KRWDZBQOSA-N 1 3 320.481 2.139 20 0 DEADHO C[C@H](CC[NH+](C)C)N[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000363537764 404175981 /nfs/dbraw/zinc/17/59/81/404175981.db2.gz DZDIWACMFSRPAI-LMMKCTJWSA-N 1 3 319.493 2.206 20 0 DEADHO CCN1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000355209269 404286074 /nfs/dbraw/zinc/28/60/74/404286074.db2.gz AIDTUYREWLOMSI-YTQUADARSA-N 1 3 301.478 2.438 20 0 DEADHO C[C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)CCN(C2CCC2)C1 ZINC000344716561 404327544 /nfs/dbraw/zinc/32/75/44/404327544.db2.gz STRCKVRCQQKOSR-HNNXBMFYSA-N 1 3 319.493 2.194 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000355442618 404334465 /nfs/dbraw/zinc/33/44/65/404334465.db2.gz DWXFEAUARXVAEK-DLBZAZTESA-N 1 3 322.497 2.177 20 0 DEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000355442618 404334472 /nfs/dbraw/zinc/33/44/72/404334472.db2.gz DWXFEAUARXVAEK-DLBZAZTESA-N 1 3 322.497 2.177 20 0 DEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C)CC[C@H]1C ZINC000355502234 404345236 /nfs/dbraw/zinc/34/52/36/404345236.db2.gz GSOCVGZZXFRANN-YYIAUSFCSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C)CC[C@H]1C ZINC000355502234 404345242 /nfs/dbraw/zinc/34/52/42/404345242.db2.gz GSOCVGZZXFRANN-YYIAUSFCSA-N 1 3 324.513 2.088 20 0 DEADHO [NH3+][C@@H]1CCC[C@H]2CN(CCc3nc(-c4ccccc4)no3)C[C@@H]21 ZINC000342079056 404354064 /nfs/dbraw/zinc/35/40/64/404354064.db2.gz DFGQILSJGQXAAC-HRCADAONSA-N 1 3 312.417 2.338 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000352340979 404299673 /nfs/dbraw/zinc/29/96/73/404299673.db2.gz UGFHUUFAUGBIRM-DLBZAZTESA-N 1 3 324.513 2.280 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000352340979 404299679 /nfs/dbraw/zinc/29/96/79/404299679.db2.gz UGFHUUFAUGBIRM-DLBZAZTESA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H]1CCN(C)CCN1C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000342029849 404324666 /nfs/dbraw/zinc/32/46/66/404324666.db2.gz YBTAJVVMWZOWOO-HUUCEWRRSA-N 1 3 312.502 2.088 20 0 DEADHO CCCC[C@H](CC)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414197040 404545552 /nfs/dbraw/zinc/54/55/52/404545552.db2.gz PBOVMWXKHCEAAB-KRWDZBQOSA-N 1 3 311.514 2.341 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1cnc(N(C)C)n1C ZINC000414283520 404565568 /nfs/dbraw/zinc/56/55/68/404565568.db2.gz JIXPCZKWKCBIQB-OAHLLOKOSA-N 1 3 307.486 2.230 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1cnc(N(C)C)n1C ZINC000414283520 404565573 /nfs/dbraw/zinc/56/55/73/404565573.db2.gz JIXPCZKWKCBIQB-OAHLLOKOSA-N 1 3 307.486 2.230 20 0 DEADHO C[C@H](CCc1ccccc1)CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352719692 404572776 /nfs/dbraw/zinc/57/27/76/404572776.db2.gz LTLYTPVNJWZAPQ-MJGOQNOKSA-N 1 3 301.478 2.235 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3(C)CC3)CC2)CC1 ZINC000567483792 292317330 /nfs/dbraw/zinc/31/73/30/292317330.db2.gz BXKJJIVQNSJQQI-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)CN1C1CC1 ZINC000297806074 404628703 /nfs/dbraw/zinc/62/87/03/404628703.db2.gz XUXBIQPWCHRNRH-GDBMZVCRSA-N 1 3 300.450 2.265 20 0 DEADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H]3CCCOC3)CC2)C[C@@H](C)O1 ZINC000342619232 404680666 /nfs/dbraw/zinc/68/06/66/404680666.db2.gz SYWVZLHVSKGLSN-NUJGCVRESA-N 1 3 310.482 2.234 20 0 DEADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000567518418 292319643 /nfs/dbraw/zinc/31/96/43/292319643.db2.gz PWMOPQWOUIUWQH-MAUKXSAKSA-N 1 3 317.477 2.203 20 0 DEADHO CC(C)c1ccc(C[N@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414668178 404704230 /nfs/dbraw/zinc/70/42/30/404704230.db2.gz ISFCYGRWGYKJSP-KRWDZBQOSA-N 1 3 317.477 2.439 20 0 DEADHO CC(C)c1ccc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414668178 404704233 /nfs/dbraw/zinc/70/42/33/404704233.db2.gz ISFCYGRWGYKJSP-KRWDZBQOSA-N 1 3 317.477 2.439 20 0 DEADHO Cc1ccc([C@@H](C)[N@H+](C)C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414673192 404705098 /nfs/dbraw/zinc/70/50/98/404705098.db2.gz IRQGVPQSGMJGMO-HZPDHXFCSA-N 1 3 303.450 2.185 20 0 DEADHO Cc1ccc([C@@H](C)[N@@H+](C)C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414673192 404705100 /nfs/dbraw/zinc/70/51/00/404705100.db2.gz IRQGVPQSGMJGMO-HZPDHXFCSA-N 1 3 303.450 2.185 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2ccccc2)C1 ZINC000414677268 404706300 /nfs/dbraw/zinc/70/63/00/404706300.db2.gz ITAVQAAJMNWOHH-RDJZCZTQSA-N 1 3 301.434 2.021 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]2c2ccccc2)C1 ZINC000414677268 404706301 /nfs/dbraw/zinc/70/63/01/404706301.db2.gz ITAVQAAJMNWOHH-RDJZCZTQSA-N 1 3 301.434 2.021 20 0 DEADHO CCO[C@H]1C[C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C12CCCC2 ZINC000374233329 404701618 /nfs/dbraw/zinc/70/16/18/404701618.db2.gz ZGOUWQUJRUFJGU-IRXDYDNUSA-N 1 3 323.525 2.340 20 0 DEADHO COc1ccc([C@H](C)C[N@@H+]2C[C@@H](CN)C3(C2)CCOCC3)cc1 ZINC000414772284 404729784 /nfs/dbraw/zinc/72/97/84/404729784.db2.gz BQUKHNGWFLZZJJ-NVXWUHKLSA-N 1 3 318.461 2.486 20 0 DEADHO COc1ccc([C@H](C)C[N@H+]2C[C@@H](CN)C3(C2)CCOCC3)cc1 ZINC000414772284 404729789 /nfs/dbraw/zinc/72/97/89/404729789.db2.gz BQUKHNGWFLZZJJ-NVXWUHKLSA-N 1 3 318.461 2.486 20 0 DEADHO [NH3+]C[C@@H]1CN(Cc2ccc3c(c2)CCC3)CC12CCOCC2 ZINC000414779457 404732329 /nfs/dbraw/zinc/73/23/29/404732329.db2.gz KBOBISORWWYFGX-GOSISDBHSA-N 1 3 300.446 2.363 20 0 DEADHO c1sc(CNCCCN2CC[NH2+]CC2)nc1-c1ccccc1 ZINC000414780139 404733082 /nfs/dbraw/zinc/73/30/82/404733082.db2.gz KPBXONBMEHSQCV-UHFFFAOYSA-N 1 3 316.474 2.195 20 0 DEADHO COCc1cccc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414783272 404733901 /nfs/dbraw/zinc/73/39/01/404733901.db2.gz PSNJLEGNEBGGAH-KRWDZBQOSA-N 1 3 304.434 2.020 20 0 DEADHO Fc1ccc(CNCCCN2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000414783273 404734008 /nfs/dbraw/zinc/73/40/08/404734008.db2.gz QKDCVUBOCNJXBM-UHFFFAOYSA-N 1 3 319.346 2.229 20 0 DEADHO O[C@@H]1C[NH2+]C[C@H]1CNCCCCc1ccc(Cl)c(Cl)c1 ZINC000414800270 404738787 /nfs/dbraw/zinc/73/87/87/404738787.db2.gz ZERKDFJSMJCCDZ-IUODEOHRSA-N 1 3 317.260 2.486 20 0 DEADHO NC[C@H]([NH2+]C1CCN(CCc2ccc(F)cc2)CC1)C1CC1 ZINC000414804364 404739364 /nfs/dbraw/zinc/73/93/64/404739364.db2.gz OSEZJXCVUDCAGN-SFHVURJKSA-N 1 3 305.441 2.160 20 0 DEADHO C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]CC1(N)CCCCC1 ZINC000414833346 404744974 /nfs/dbraw/zinc/74/49/74/404744974.db2.gz AJHIZYTZZFKBRS-INIZCTEOSA-N 1 3 317.477 2.375 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000358089969 404752925 /nfs/dbraw/zinc/75/29/25/404752925.db2.gz GOCBPQGVKSXLQO-INIZCTEOSA-N 1 3 324.513 2.448 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)NC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000414901419 404762659 /nfs/dbraw/zinc/76/26/59/404762659.db2.gz FYLLUPAGPLXJCN-KSSFIOAISA-N 1 3 319.449 2.392 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@]2(C)CCCNC2)cc1 ZINC000414901419 404762660 /nfs/dbraw/zinc/76/26/60/404762660.db2.gz FYLLUPAGPLXJCN-KSSFIOAISA-N 1 3 319.449 2.392 20 0 DEADHO CC[C@@H]1CCCCN1C(=O)CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357066698 404725834 /nfs/dbraw/zinc/72/58/34/404725834.db2.gz CBDSAZFGMYCLFB-IAGOWNOFSA-N 1 3 307.482 2.099 20 0 DEADHO COc1cc2c(c(CN[C@@H]3C[C@H]3C3CC[NH2+]CC3)c1)O[C@H](C)C2 ZINC000415003415 404785640 /nfs/dbraw/zinc/78/56/40/404785640.db2.gz FZZQUOBTFAOUDE-OCBCSQNSSA-N 1 3 316.445 2.496 20 0 DEADHO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000359237415 404787451 /nfs/dbraw/zinc/78/74/51/404787451.db2.gz PKGRMUAODRDZNI-MRXNPFEDSA-N 1 3 324.513 2.233 20 0 DEADHO CCOc1c(CN[C@@H]2CC[C@H](C[NH3+])C2)c(C)nn1CC(C)C ZINC000415031462 404791679 /nfs/dbraw/zinc/79/16/79/404791679.db2.gz GUDRGQXSTYPTLY-LSDHHAIUSA-N 1 3 308.470 2.463 20 0 DEADHO c1ncn(-c2ccc(CN3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc2)n1 ZINC000415033757 404792462 /nfs/dbraw/zinc/79/24/62/404792462.db2.gz BZCQWCDVASBNCJ-SJLPKXTDSA-N 1 3 311.433 2.231 20 0 DEADHO COc1ccc(NC(=O)C[C@@H](C)NCCC[NH2+]C2CC2)cc1 ZINC000415073319 404801213 /nfs/dbraw/zinc/80/12/13/404801213.db2.gz YGHLDUPOYPJJKL-CYBMUJFWSA-N 1 3 305.422 2.144 20 0 DEADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCCNC2CC2)cc1 ZINC000415073319 404801215 /nfs/dbraw/zinc/80/12/15/404801215.db2.gz YGHLDUPOYPJJKL-CYBMUJFWSA-N 1 3 305.422 2.144 20 0 DEADHO COc1ccsc1CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415125076 404812884 /nfs/dbraw/zinc/81/28/84/404812884.db2.gz NQJFPDJVCMWZFV-HIFRSBDPSA-N 1 3 310.463 2.475 20 0 DEADHO N[C@H]1CCC[C@H]([NH2+]CCCC(=O)N2CCc3ccccc32)C1 ZINC000568248202 292325885 /nfs/dbraw/zinc/32/58/85/292325885.db2.gz KHJQOUOOVMOALO-HOTGVXAUSA-N 1 3 301.434 2.215 20 0 DEADHO Cc1ccc(NC(=O)NC[C@H]([NH3+])C(C)C)c(OCCN(C)C)c1 ZINC000415199240 404826466 /nfs/dbraw/zinc/82/64/66/404826466.db2.gz DGMILCXIWVCFPT-AWEZNQCLSA-N 1 3 322.453 2.040 20 0 DEADHO CSC1(CNCc2cccc3c2OCO3)CC[NH+](C)CC1 ZINC000353219214 404773911 /nfs/dbraw/zinc/77/39/11/404773911.db2.gz ARFISNPXYFHPTM-UHFFFAOYSA-N 1 3 308.447 2.332 20 0 DEADHO CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000434353683 404885186 /nfs/dbraw/zinc/88/51/86/404885186.db2.gz WTEZCTLKPVULEE-QGZVFWFLSA-N 1 3 324.513 2.377 20 0 DEADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000434352940 404885697 /nfs/dbraw/zinc/88/56/97/404885697.db2.gz QTNVTFSWQDKZFT-QGZVFWFLSA-N 1 3 322.497 2.175 20 0 DEADHO O=C(N1CCC[C@H]([NH+]2CCCC2)CC1)C12CCCN1CCC2 ZINC000377953643 404853210 /nfs/dbraw/zinc/85/32/10/404853210.db2.gz KNIHGPAZZJHMDO-INIZCTEOSA-N 1 3 305.466 2.092 20 0 DEADHO C(CN1CC[C@H]([C@@H]2CCOC2)C1)C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000367187895 404958361 /nfs/dbraw/zinc/95/83/61/404958361.db2.gz UFGXESATTWKFCB-FCGDIQPGSA-N 1 3 322.493 2.093 20 0 DEADHO C(CN1CC[C@H]([C@@H]2CCOC2)C1)C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000367187895 404958365 /nfs/dbraw/zinc/95/83/65/404958365.db2.gz UFGXESATTWKFCB-FCGDIQPGSA-N 1 3 322.493 2.093 20 0 DEADHO C(CN1CC[C@@H]([C@@H]2CCOC2)C1)C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000367187895 404958370 /nfs/dbraw/zinc/95/83/70/404958370.db2.gz UFGXESATTWKFCB-FCGDIQPGSA-N 1 3 322.493 2.093 20 0 DEADHO C(CN1CC[C@@H]([C@@H]2CCOC2)C1)C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000367187895 404958371 /nfs/dbraw/zinc/95/83/71/404958371.db2.gz UFGXESATTWKFCB-FCGDIQPGSA-N 1 3 322.493 2.093 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000415886154 404961782 /nfs/dbraw/zinc/96/17/82/404961782.db2.gz UDSQRMFOPRGJBI-AWEZNQCLSA-N 1 3 316.449 2.138 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000415886154 404961791 /nfs/dbraw/zinc/96/17/91/404961791.db2.gz UDSQRMFOPRGJBI-AWEZNQCLSA-N 1 3 316.449 2.138 20 0 DEADHO C[NH2+]Cc1ccccc1NC(=O)N[C@H](C)CN1CCCCC1 ZINC000415906371 404968799 /nfs/dbraw/zinc/96/87/99/404968799.db2.gz XNOWSGJQAOYUAP-CQSZACIVSA-N 1 3 304.438 2.402 20 0 DEADHO Cc1ccc(CCC[NH+]2CCC(OCCN(C)C)CC2)cn1 ZINC000353660514 404907437 /nfs/dbraw/zinc/90/74/37/404907437.db2.gz UGZRUZFFOGOOLC-UHFFFAOYSA-N 1 3 305.466 2.365 20 0 DEADHO C[C@@H](CCC[NH3+])NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000416783372 404908668 /nfs/dbraw/zinc/90/86/68/404908668.db2.gz HABVOXFQVDAYTG-RDJZCZTQSA-N 1 3 318.465 2.250 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000416797284 404915147 /nfs/dbraw/zinc/91/51/47/404915147.db2.gz AKOYTLWALGMTJM-XIRDDKMYSA-N 1 3 318.465 2.058 20 0 DEADHO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000361098295 404917177 /nfs/dbraw/zinc/91/71/77/404917177.db2.gz SEALQXAKSCIPHC-JKSUJKDBSA-N 1 3 317.433 2.405 20 0 DEADHO CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000415911901 404970065 /nfs/dbraw/zinc/97/00/65/404970065.db2.gz ZFBCTOAZVPSXSJ-XJKSGUPXSA-N 1 3 304.438 2.400 20 0 DEADHO CC(C)[NH+](CCNC(=O)NC[C@H](N)c1ccccc1)C(C)C ZINC000416811284 404920216 /nfs/dbraw/zinc/92/02/16/404920216.db2.gz RQANJOLFCBZKSL-INIZCTEOSA-N 1 3 306.454 2.104 20 0 DEADHO C[C@H]([NH3+])C1CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000416815670 404921855 /nfs/dbraw/zinc/92/18/55/404921855.db2.gz WRQMPIICHHADRH-YOEHRIQHSA-N 1 3 318.465 2.058 20 0 DEADHO CC(C)[C@@H](CNC(=O)CC[C@H](C)[NH3+])N1CCc2ccccc2C1 ZINC000434689693 404923762 /nfs/dbraw/zinc/92/37/62/404923762.db2.gz CBUAFTFFZPWHKW-MAUKXSAKSA-N 1 3 317.477 2.313 20 0 DEADHO CC[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423909671 404925021 /nfs/dbraw/zinc/92/50/21/404925021.db2.gz UGZRAZKKKNVTNR-OKZBNKHCSA-N 1 3 315.461 2.237 20 0 DEADHO CC[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423909671 404925026 /nfs/dbraw/zinc/92/50/26/404925026.db2.gz UGZRAZKKKNVTNR-OKZBNKHCSA-N 1 3 315.461 2.237 20 0 DEADHO C[C@@H]1[NH2+]CCN(C(=O)c2ccc(Nc3ccncc3)cc2)[C@H]1C ZINC000434700317 404925398 /nfs/dbraw/zinc/92/53/98/404925398.db2.gz SWEIRWMLVLSBTA-KBPBESRZSA-N 1 3 310.401 2.070 20 0 DEADHO C[C@@H]([NH3+])CCC(=O)NCc1ccccc1CN1CCCCC1 ZINC000434698435 404926036 /nfs/dbraw/zinc/92/60/36/404926036.db2.gz FQYZCZXPYLTGMM-OAHLLOKOSA-N 1 3 303.450 2.416 20 0 DEADHO C[C@H](C(=O)NCC1CC[NH+](C2CC2)CC1)[C@@H](N)c1ccccc1 ZINC000423911613 404926262 /nfs/dbraw/zinc/92/62/62/404926262.db2.gz ITNKYWXVXPBIEF-KBXCAEBGSA-N 1 3 315.461 2.313 20 0 DEADHO C[C@@H](CCCC[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000416843249 404932151 /nfs/dbraw/zinc/93/21/51/404932151.db2.gz OIUDAUNLSKINPU-DOTOQJQBSA-N 1 3 318.465 2.078 20 0 DEADHO C[C@@H]1CN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)[C@@H](C)CN1 ZINC000417046812 405016848 /nfs/dbraw/zinc/01/68/48/405016848.db2.gz PXYSMTJHRNREDB-PMPSAXMXSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1CN(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)[C@@H](C)CN1 ZINC000417046812 405016852 /nfs/dbraw/zinc/01/68/52/405016852.db2.gz PXYSMTJHRNREDB-PMPSAXMXSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000379677482 405030016 /nfs/dbraw/zinc/03/00/16/405030016.db2.gz CQFNRFOPGPVVRZ-ATLSCFEFSA-N 1 3 315.461 2.154 20 0 DEADHO C[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1cccc(OCCN(C)C)c1 ZINC000361351223 405035176 /nfs/dbraw/zinc/03/51/76/405035176.db2.gz KNKXBMMWJNAIGC-RDTXWAMCSA-N 1 3 306.450 2.439 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)CC1 ZINC000451419365 404987583 /nfs/dbraw/zinc/98/75/83/404987583.db2.gz KZYCQMPNUPJDIF-QRVBRYPASA-N 1 3 323.525 2.028 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)CC1 ZINC000451419365 404987590 /nfs/dbraw/zinc/98/75/90/404987590.db2.gz KZYCQMPNUPJDIF-QRVBRYPASA-N 1 3 323.525 2.028 20 0 DEADHO COc1ccc(NC(=O)CCN(C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435620210 404995944 /nfs/dbraw/zinc/99/59/44/404995944.db2.gz AERSHENTOLHBRR-OAHLLOKOSA-N 1 3 305.422 2.098 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]([NH3+])C1CC1)c1ccsc1 ZINC000417008310 404999152 /nfs/dbraw/zinc/99/91/52/404999152.db2.gz MDKBVRBWAJDKDV-CABCVRRESA-N 1 3 324.494 2.168 20 0 DEADHO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc4c(c3)CNC4)CC[C@H]21 ZINC000415995835 405001036 /nfs/dbraw/zinc/00/10/36/405001036.db2.gz LWAANPMCNZERIA-WMLDXEAASA-N 1 3 314.433 2.238 20 0 DEADHO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc4c(c3)CNC4)CC[C@H]21 ZINC000415995835 405001040 /nfs/dbraw/zinc/00/10/40/405001040.db2.gz LWAANPMCNZERIA-WMLDXEAASA-N 1 3 314.433 2.238 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc4c(c3)CNC4)CC[C@@H]21 ZINC000415995832 405001157 /nfs/dbraw/zinc/00/11/57/405001157.db2.gz LWAANPMCNZERIA-PBHICJAKSA-N 1 3 314.433 2.238 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc4c(c3)CNC4)CC[C@@H]21 ZINC000415995832 405001164 /nfs/dbraw/zinc/00/11/64/405001164.db2.gz LWAANPMCNZERIA-PBHICJAKSA-N 1 3 314.433 2.238 20 0 DEADHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc2c(c1)CNC2 ZINC000415996387 405001293 /nfs/dbraw/zinc/00/12/93/405001293.db2.gz MPYPDVKWNFOONH-IAGOWNOFSA-N 1 3 314.433 2.380 20 0 DEADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc2c(c1)CNC2 ZINC000415996387 405001302 /nfs/dbraw/zinc/00/13/02/405001302.db2.gz MPYPDVKWNFOONH-IAGOWNOFSA-N 1 3 314.433 2.380 20 0 DEADHO C[C@H](C[NH3+])N(C)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000417737741 405095198 /nfs/dbraw/zinc/09/51/98/405095198.db2.gz OEGXUBLDXJAEJK-IPYPFGDCSA-N 1 3 324.494 2.120 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000417733950 405095389 /nfs/dbraw/zinc/09/53/89/405095389.db2.gz JMDHNJJHUXBDFW-YDHLFZDLSA-N 1 3 324.494 2.168 20 0 DEADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCSc1ccccc1 ZINC000436062177 405041162 /nfs/dbraw/zinc/04/11/62/405041162.db2.gz ILXHDCFZHXDKSH-HNNXBMFYSA-N 1 3 321.490 2.098 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C1([NH3+])CCCCC1 ZINC000389985068 405042897 /nfs/dbraw/zinc/04/28/97/405042897.db2.gz LQNFKRDNIIQQJU-NVXWUHKLSA-N 1 3 315.461 2.285 20 0 DEADHO C[C@H]1CC2(CN1C(=O)c1cccc(CN(C)C)c1)CC[NH2+]CC2 ZINC000424247585 405046883 /nfs/dbraw/zinc/04/68/83/405046883.db2.gz WNAJLJVJKUFEFY-HNNXBMFYSA-N 1 3 315.461 2.352 20 0 DEADHO CCCC[N@H+](C)CC1CCN([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000361384517 405049346 /nfs/dbraw/zinc/04/93/46/405049346.db2.gz DXJDUYKEFWJUHN-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO CCCC[N@@H+](C)CC1CCN([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000361384517 405049351 /nfs/dbraw/zinc/04/93/51/405049351.db2.gz DXJDUYKEFWJUHN-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1CC[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000436135405 405049591 /nfs/dbraw/zinc/04/95/91/405049591.db2.gz WJNOPJDHSFUYIF-GOEBONIOSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](CNC(=O)NC[C@H](N)c1ccccc1)C[NH+]1CCCCC1 ZINC000417195222 405058999 /nfs/dbraw/zinc/05/89/99/405058999.db2.gz QFQFIPADVHIYNR-RDJZCZTQSA-N 1 3 318.465 2.108 20 0 DEADHO C[C@@H]1CC2(CN1CC(=O)Nc1ccc(F)cc1)CC[NH2+]CC2 ZINC000424298075 405061232 /nfs/dbraw/zinc/06/12/32/405061232.db2.gz TWICOWGJRPOUHG-CYBMUJFWSA-N 1 3 305.397 2.228 20 0 DEADHO Cc1ccccc1NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424299772 405062865 /nfs/dbraw/zinc/06/28/65/405062865.db2.gz VRXBXUUEAGCXTA-OAHLLOKOSA-N 1 3 301.434 2.398 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000354142052 405064904 /nfs/dbraw/zinc/06/49/04/405064904.db2.gz GMYIJQKDXZZEBP-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H](CC[NH3+])NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000418539203 405132510 /nfs/dbraw/zinc/13/25/10/405132510.db2.gz FKNKCFFUNUYZSR-HNNXBMFYSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)[C@@H](C)CN1 ZINC000418141279 405113351 /nfs/dbraw/zinc/11/33/51/405113351.db2.gz KVCDCUASUSJRMX-HLLBOEOZSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1CN(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)[C@@H](C)CN1 ZINC000418141279 405113357 /nfs/dbraw/zinc/11/33/57/405113357.db2.gz KVCDCUASUSJRMX-HLLBOEOZSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@H](CC[NH3+])NC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000418162021 405114238 /nfs/dbraw/zinc/11/42/38/405114238.db2.gz FEDDYGJSWCGEOR-OAHLLOKOSA-N 1 3 310.486 2.069 20 0 DEADHO CCCN(CCC[NH+](C)C)C(=O)NCc1ccc2c(c1)CNC2 ZINC000418553043 405132113 /nfs/dbraw/zinc/13/21/13/405132113.db2.gz LWCDLLNCIFSUDY-UHFFFAOYSA-N 1 3 318.465 2.163 20 0 DEADHO CC(C)[NH+]1CCC(O)(CNCc2cn(C)nc2C(C)(C)C)CC1 ZINC000354283879 405139756 /nfs/dbraw/zinc/13/97/56/405139756.db2.gz VCAKJSURLCJJNF-UHFFFAOYSA-N 1 3 322.497 2.043 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000418606567 405137230 /nfs/dbraw/zinc/13/72/30/405137230.db2.gz QHQMSPSTOICCAQ-IAGOWNOFSA-N 1 3 324.513 2.425 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418650572 405150540 /nfs/dbraw/zinc/15/05/40/405150540.db2.gz KNAKXAFYNDFFPT-DOTOQJQBSA-N 1 3 318.465 2.080 20 0 DEADHO c1csc(N2CCC(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)n1 ZINC000367919287 405191574 /nfs/dbraw/zinc/19/15/74/405191574.db2.gz WSAQDIGTSHHQMV-CABCVRRESA-N 1 3 306.479 2.328 20 0 DEADHO c1csc(N2CCC(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)n1 ZINC000367919287 405191580 /nfs/dbraw/zinc/19/15/80/405191580.db2.gz WSAQDIGTSHHQMV-CABCVRRESA-N 1 3 306.479 2.328 20 0 DEADHO c1csc(N2CCC([NH2+][C@@H]3CCN4CCC[C@H]4C3)CC2)n1 ZINC000367919287 405191586 /nfs/dbraw/zinc/19/15/86/405191586.db2.gz WSAQDIGTSHHQMV-CABCVRRESA-N 1 3 306.479 2.328 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000438551852 405250129 /nfs/dbraw/zinc/25/01/29/405250129.db2.gz JAZREBFMDYULMD-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000438551852 405250131 /nfs/dbraw/zinc/25/01/31/405250131.db2.gz JAZREBFMDYULMD-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO CN(CC1([NH+](C)C)CCC1)C(=O)[C@@H]1CCCN1C1CCCC1 ZINC000438606842 405252163 /nfs/dbraw/zinc/25/21/63/405252163.db2.gz YVUQDOMKMTYTBP-INIZCTEOSA-N 1 3 307.482 2.336 20 0 DEADHO CN1C[C@@H]2CCCN(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)[C@@H]2C1 ZINC000425635691 405309265 /nfs/dbraw/zinc/30/92/65/405309265.db2.gz QWMPJROIBZKGCO-DZGCQCFKSA-N 1 3 322.497 2.031 20 0 DEADHO CCN(CC[C@H]1CC[NH2+]C1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000420299294 405310743 /nfs/dbraw/zinc/31/07/43/405310743.db2.gz ISNRKUCAIDWAON-NVXWUHKLSA-N 1 3 301.434 2.113 20 0 DEADHO CN(CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000420312368 405315454 /nfs/dbraw/zinc/31/54/54/405315454.db2.gz WVEOIHQNQPZNQJ-DOTOQJQBSA-N 1 3 301.434 2.113 20 0 DEADHO Clc1ccc(N2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)nc1 ZINC000420324268 405319557 /nfs/dbraw/zinc/31/95/57/405319557.db2.gz UWYNQIAKBRCQGJ-AWEZNQCLSA-N 1 3 308.857 2.247 20 0 DEADHO Cc1ccc(NC(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420333019 405323313 /nfs/dbraw/zinc/32/33/13/405323313.db2.gz DWYPUEZDQPMTHM-HZPDHXFCSA-N 1 3 301.434 2.255 20 0 DEADHO CN(Cc1cccs1)C(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420345793 405327430 /nfs/dbraw/zinc/32/74/30/405327430.db2.gz WRAREYMQQDJVNC-LSDHHAIUSA-N 1 3 321.490 2.028 20 0 DEADHO C[N@H+](CCCCOc1cccc(C(F)(F)F)c1)C[C@@H](O)CN ZINC000420360982 405331513 /nfs/dbraw/zinc/33/15/13/405331513.db2.gz XFTAUPWULLLVJG-ZDUSSCGKSA-N 1 3 320.355 2.116 20 0 DEADHO C[N@@H+](CCCCOc1cccc(C(F)(F)F)c1)C[C@@H](O)CN ZINC000420360982 405331518 /nfs/dbraw/zinc/33/15/18/405331518.db2.gz XFTAUPWULLLVJG-ZDUSSCGKSA-N 1 3 320.355 2.116 20 0 DEADHO CN(CCCCOc1cccc(C(F)(F)F)c1)C[C@@H](O)C[NH3+] ZINC000420360982 405331519 /nfs/dbraw/zinc/33/15/19/405331519.db2.gz XFTAUPWULLLVJG-ZDUSSCGKSA-N 1 3 320.355 2.116 20 0 DEADHO C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)CN(C)C ZINC000425946314 405331980 /nfs/dbraw/zinc/33/19/80/405331980.db2.gz VFTQNPRTYPRXHJ-SOLBZPMBSA-N 1 3 304.482 2.079 20 0 DEADHO CC(C)O[C@H]1C[C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C1(C)C ZINC000442872702 405337409 /nfs/dbraw/zinc/33/74/09/405337409.db2.gz ITGBEUCDVNFXGF-HOTGVXAUSA-N 1 3 311.514 2.194 20 0 DEADHO C[C@H](c1ccc(F)cc1)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420386570 405340214 /nfs/dbraw/zinc/34/02/14/405340214.db2.gz VAOBUIRRYYAEHN-WBMJQRKESA-N 1 3 303.385 2.274 20 0 DEADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(CCOc3cccc(F)c3)CC2)C1 ZINC000420392866 405342397 /nfs/dbraw/zinc/34/23/97/405342397.db2.gz PVUPOZREOOWSJQ-SJLPKXTDSA-N 1 3 322.424 2.423 20 0 DEADHO CC1(C)CCCN(CCNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000445267832 405350705 /nfs/dbraw/zinc/35/07/05/405350705.db2.gz RZYNONCMGPMFBW-JKSUJKDBSA-N 1 3 322.497 2.034 20 0 DEADHO CC1(C)CCCN(CCNC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000445267832 405350707 /nfs/dbraw/zinc/35/07/07/405350707.db2.gz RZYNONCMGPMFBW-JKSUJKDBSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H](CNC(=O)NCCN1CCCC(C)(C)C1)C[NH+]1CCCC1 ZINC000445268885 405350884 /nfs/dbraw/zinc/35/08/84/405350884.db2.gz UZPDHXDQGYFSEA-INIZCTEOSA-N 1 3 324.513 2.140 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCOCC(F)(F)C(F)F ZINC000447598105 405418020 /nfs/dbraw/zinc/41/80/20/405418020.db2.gz HNMYVNVWJIELNL-MXWKQRLJSA-N 1 3 300.340 2.222 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCOCC(F)(F)C(F)F ZINC000447598105 405418022 /nfs/dbraw/zinc/41/80/22/405418022.db2.gz HNMYVNVWJIELNL-MXWKQRLJSA-N 1 3 300.340 2.222 20 0 DEADHO CC(C)[C@@H](N)C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000427923651 405421125 /nfs/dbraw/zinc/42/11/25/405421125.db2.gz GNJPIFWNAVHCFP-CGTJXYLNSA-N 1 3 317.477 2.387 20 0 DEADHO CC(C)[C@@H](N)C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000427923651 405421127 /nfs/dbraw/zinc/42/11/27/405421127.db2.gz GNJPIFWNAVHCFP-CGTJXYLNSA-N 1 3 317.477 2.387 20 0 DEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NCC2(N(C)C)CCC2)C1 ZINC000445876552 405360303 /nfs/dbraw/zinc/36/03/03/405360303.db2.gz XAXPLYBWZQIVCH-INIZCTEOSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NCC2(N(C)C)CCC2)C1 ZINC000445876552 405360308 /nfs/dbraw/zinc/36/03/08/405360308.db2.gz XAXPLYBWZQIVCH-INIZCTEOSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@H]1CCC[C@]1(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000448836242 405453999 /nfs/dbraw/zinc/45/39/99/405453999.db2.gz PAYFIYBKRIBCEG-KXBFYZLASA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H]([NH3+])CCN(C)CCCOc1ccc2c(c1)OCO2 ZINC000430561301 405457146 /nfs/dbraw/zinc/45/71/46/405457146.db2.gz ZVCXXYJRYANSDV-HNNXBMFYSA-N 1 3 308.422 2.489 20 0 DEADHO CC[NH2+]CC1CCN(CC(=O)N(C2CC2)C2CCCC2)CC1 ZINC000430585555 405461711 /nfs/dbraw/zinc/46/17/11/405461711.db2.gz QRKDLAALZYCKBP-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C(=O)/C=C\C[NH+](C)C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000492081942 405481457 /nfs/dbraw/zinc/48/14/57/405481457.db2.gz HPXFCAIBQLQROU-XSZJWBAASA-N 1 3 315.461 2.227 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000449082314 405517136 /nfs/dbraw/zinc/51/71/36/405517136.db2.gz MIUVAYPKECGOGD-WBVHZDCISA-N 1 3 303.450 2.328 20 0 DEADHO C[C@H](NC1CC1)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000449101071 405517461 /nfs/dbraw/zinc/51/74/61/405517461.db2.gz SYPOERQJIDJAPL-HNNXBMFYSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H](NC1CC1)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000449101071 405517467 /nfs/dbraw/zinc/51/74/67/405517467.db2.gz SYPOERQJIDJAPL-HNNXBMFYSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H](C(=O)NC1CC[NH+](C2CCC2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000456684317 405550193 /nfs/dbraw/zinc/55/01/93/405550193.db2.gz NVBLBFSCYZSNEY-ZNMIVQPWSA-N 1 3 307.482 2.381 20 0 DEADHO C[C@H](CC(=O)Nc1ccc2c(c1)OCCNC2)[C@@H]1CCC[NH2+]C1 ZINC000638667885 405604859 /nfs/dbraw/zinc/60/48/59/405604859.db2.gz FGMCEUZEMYQSNE-ZIAGYGMSSA-N 1 3 317.433 2.133 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H](N)C(C)(C)C)C1 ZINC000431062079 405569225 /nfs/dbraw/zinc/56/92/25/405569225.db2.gz NOAFTPSHAQCUDG-CWRNSKLLSA-N 1 3 303.450 2.312 20 0 DEADHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H](N)C(C)(C)C)C1 ZINC000431062079 405569226 /nfs/dbraw/zinc/56/92/26/405569226.db2.gz NOAFTPSHAQCUDG-CWRNSKLLSA-N 1 3 303.450 2.312 20 0 DEADHO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H](N)C(C)(C)C)C1 ZINC000431062079 405569229 /nfs/dbraw/zinc/56/92/29/405569229.db2.gz NOAFTPSHAQCUDG-CWRNSKLLSA-N 1 3 303.450 2.312 20 0 DEADHO C[C@H]1CN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CCN(C2CCC2)C1 ZINC000557218764 405586781 /nfs/dbraw/zinc/58/67/81/405586781.db2.gz AJPZVSHZPQUPAS-PBHICJAKSA-N 1 3 322.497 2.020 20 0 DEADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2N[C@@H]1CCN(C2CC2)C1 ZINC000422739320 405678125 /nfs/dbraw/zinc/67/81/25/405678125.db2.gz LBSKQTADHFRBPC-LSBZLQRGSA-N 1 3 313.445 2.069 20 0 DEADHO CO[C@H](CNC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)CC(C)C ZINC000638747112 405647157 /nfs/dbraw/zinc/64/71/57/405647157.db2.gz AONSIQARFWGFRY-KSZLIROESA-N 1 3 312.498 2.405 20 0 DEADHO CN[C@@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000580570411 405647915 /nfs/dbraw/zinc/64/79/15/405647915.db2.gz XUCZLNMLOAJNLM-CABCVRRESA-N 1 3 303.450 2.143 20 0 DEADHO CN[C@@H](C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000580570411 405647921 /nfs/dbraw/zinc/64/79/21/405647921.db2.gz XUCZLNMLOAJNLM-CABCVRRESA-N 1 3 303.450 2.143 20 0 DEADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@H]1CCN(C2CC2)C1 ZINC000422739395 405678681 /nfs/dbraw/zinc/67/86/81/405678681.db2.gz LBSKQTADHFRBPC-UCLAIMLFSA-N 1 3 313.445 2.069 20 0 DEADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCCN3CCC(O)CC3)CC2)C1 ZINC000449646926 405658373 /nfs/dbraw/zinc/65/83/73/405658373.db2.gz OUTFGQYVUCKKOB-WMZOPIPTSA-N 1 3 323.525 2.076 20 0 DEADHO CC[NH+](CC)CCSCC(=O)NCCN1CCCC1(C)C ZINC000457054052 405671282 /nfs/dbraw/zinc/67/12/82/405671282.db2.gz LGXPEFHDLGCTDL-UHFFFAOYSA-N 1 3 315.527 2.052 20 0 DEADHO CC[NH+](CC)CCCNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000431772834 405673612 /nfs/dbraw/zinc/67/36/12/405673612.db2.gz MPABVPXONJAUHG-HNNXBMFYSA-N 1 3 312.502 2.138 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC000558651272 405681043 /nfs/dbraw/zinc/68/10/43/405681043.db2.gz ZRARPEFHPSOHRP-FUHWJXTLSA-N 1 3 317.477 2.355 20 0 DEADHO Cc1cc(NC(=O)C2(C[NH+](C)C)CC2)ccc1OCCN(C)C ZINC000636018938 405682421 /nfs/dbraw/zinc/68/24/21/405682421.db2.gz AIXRFMLPJOOOKI-UHFFFAOYSA-N 1 3 319.449 2.216 20 0 DEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000423067130 405699064 /nfs/dbraw/zinc/69/90/64/405699064.db2.gz YNXGDWVFSUCFMG-OCCSQVGLSA-N 1 3 307.404 2.238 20 0 DEADHO C[C@@H](C[NH3+])C(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000638831354 405700481 /nfs/dbraw/zinc/70/04/81/405700481.db2.gz ZZZAVYXHXBUZED-GWCFXTLKSA-N 1 3 317.355 2.019 20 0 DEADHO CC(C)[C@@H](CN[C@@H](C)C1C[NH2+]C1)N1CCc2ccccc2C1 ZINC000422937282 405691810 /nfs/dbraw/zinc/69/18/10/405691810.db2.gz JIYBDXYEJNMPSD-HNAYVOBHSA-N 1 3 301.478 2.267 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@H]1NCCOc1cccc(C(F)(F)F)n1 ZINC000423013184 405695273 /nfs/dbraw/zinc/69/52/73/405695273.db2.gz MGHNBDAWNPLUQJ-WDEREUQCSA-N 1 3 303.328 2.196 20 0 DEADHO COc1ccc([C@H](CO)CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423172990 405710689 /nfs/dbraw/zinc/71/06/89/405710689.db2.gz WJMAWCJKCFWXBX-JCHJZTRSSA-N 1 3 318.461 2.281 20 0 DEADHO C[N@H+]1CC=C(CNCc2ccccc2OCCCCO)CC1 ZINC000638839054 405706152 /nfs/dbraw/zinc/70/61/52/405706152.db2.gz VZJCJWAIYIFBIW-UHFFFAOYSA-N 1 3 304.434 2.189 20 0 DEADHO C[N@@H+]1CC=C(CNCc2ccccc2OCCCCO)CC1 ZINC000638839054 405706158 /nfs/dbraw/zinc/70/61/58/405706158.db2.gz VZJCJWAIYIFBIW-UHFFFAOYSA-N 1 3 304.434 2.189 20 0 DEADHO C[C@@H](CNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)N(C)C ZINC000459033509 405706849 /nfs/dbraw/zinc/70/68/49/405706849.db2.gz BRIZAENGYDCNHM-IXDOHACOSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](CNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)N(C)C ZINC000459033509 405706853 /nfs/dbraw/zinc/70/68/53/405706853.db2.gz BRIZAENGYDCNHM-IXDOHACOSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H]1CC[C@H](CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)O1 ZINC000423165701 405707931 /nfs/dbraw/zinc/70/79/31/405707931.db2.gz QCJAHOXZQPGIRV-SZXPJGKVSA-N 1 3 302.418 2.399 20 0 DEADHO CC1([NH+]2CCCC2)CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000638858724 405720106 /nfs/dbraw/zinc/72/01/06/405720106.db2.gz CCZRPLCIBWEQCI-KRWDZBQOSA-N 1 3 315.461 2.033 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)CC[N@@H+]1C ZINC000449940189 405720936 /nfs/dbraw/zinc/72/09/36/405720936.db2.gz LJECDIAXZBJAGW-VYDXJSESSA-N 1 3 307.482 2.382 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)CC[N@H+]1C ZINC000449940189 405720941 /nfs/dbraw/zinc/72/09/41/405720941.db2.gz LJECDIAXZBJAGW-VYDXJSESSA-N 1 3 307.482 2.382 20 0 DEADHO Cc1ccc(NC(=O)CCN[C@H]2CCC[C@@H]([NH+](C)C)C2)nc1 ZINC000568740327 292363222 /nfs/dbraw/zinc/36/32/22/292363222.db2.gz FNVARJLCYLMNFN-LSDHHAIUSA-N 1 3 304.438 2.181 20 0 DEADHO Cc1ccc(NC(=O)CC[NH2+][C@H]2CCC[C@@H](N(C)C)C2)nc1 ZINC000568740327 292363225 /nfs/dbraw/zinc/36/32/25/292363225.db2.gz FNVARJLCYLMNFN-LSDHHAIUSA-N 1 3 304.438 2.181 20 0 DEADHO Cc1ccc(NC(=O)CCN[C@@H]2CCC[C@@H]([NH+](C)C)C2)nc1 ZINC000568740324 292363339 /nfs/dbraw/zinc/36/33/39/292363339.db2.gz FNVARJLCYLMNFN-HUUCEWRRSA-N 1 3 304.438 2.181 20 0 DEADHO Cc1ccc(NC(=O)CC[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)nc1 ZINC000568740324 292363341 /nfs/dbraw/zinc/36/33/41/292363341.db2.gz FNVARJLCYLMNFN-HUUCEWRRSA-N 1 3 304.438 2.181 20 0 DEADHO NC1(C(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000638850004 405713556 /nfs/dbraw/zinc/71/35/56/405713556.db2.gz AIQAKTJGVUPVNU-MRXNPFEDSA-N 1 3 301.434 2.039 20 0 DEADHO NC1(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000638850004 405713559 /nfs/dbraw/zinc/71/35/59/405713559.db2.gz AIQAKTJGVUPVNU-MRXNPFEDSA-N 1 3 301.434 2.039 20 0 DEADHO CCN1CCN(CCC[NH2+]CC(C)(C)Oc2ccccc2)CC1 ZINC000638853079 405715196 /nfs/dbraw/zinc/71/51/96/405715196.db2.gz JANCZCLDROLGHD-UHFFFAOYSA-N 1 3 319.493 2.461 20 0 DEADHO CC[C@H]([NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)C(=O)NC ZINC000449774112 405716739 /nfs/dbraw/zinc/71/67/39/405716739.db2.gz LDXNXDBKNGDEME-XIRDDKMYSA-N 1 3 303.450 2.011 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCN(CC2CCCCC2)CC1)[C@@H](C)[NH3+] ZINC000423321163 405760767 /nfs/dbraw/zinc/76/07/67/405760767.db2.gz MWWNMWISINLOPR-NVXWUHKLSA-N 1 3 309.498 2.330 20 0 DEADHO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@H](N)C(C)C)cc1 ZINC000423266639 405743108 /nfs/dbraw/zinc/74/31/08/405743108.db2.gz DQIIXZUCGXVLNX-WFASDCNBSA-N 1 3 313.467 2.082 20 0 DEADHO C[C@@H]([NH2+]CC(C)(C)N)c1ccc(OCc2nccn2C)cc1 ZINC000423280800 405747660 /nfs/dbraw/zinc/74/76/60/405747660.db2.gz AHKAOBIUVAZEMR-CYBMUJFWSA-N 1 3 302.422 2.387 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)N(C)C)cc1 ZINC000423299901 405752603 /nfs/dbraw/zinc/75/26/03/405752603.db2.gz CPVNXNOHMNDMEQ-JLSDUUJJSA-N 1 3 317.477 2.356 20 0 DEADHO C[C@@H](Cc1ccc(Br)c(F)c1)NCC1C[NH2+]C1 ZINC000423307092 405753463 /nfs/dbraw/zinc/75/34/63/405753463.db2.gz VHOJXNJUOBSJIM-VIFPVBQESA-N 1 3 301.203 2.328 20 0 DEADHO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CC1CNC1 ZINC000423307092 405753468 /nfs/dbraw/zinc/75/34/68/405753468.db2.gz VHOJXNJUOBSJIM-VIFPVBQESA-N 1 3 301.203 2.328 20 0 DEADHO N[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CCC1 ZINC000423311367 405756018 /nfs/dbraw/zinc/75/60/18/405756018.db2.gz PROQUPPHBNANFK-KRWDZBQOSA-N 1 3 301.434 2.026 20 0 DEADHO CC(C)[C@@H](C(=O)NCCCN1CCc2ccccc2C1)[C@@H](C)[NH3+] ZINC000423319228 405759051 /nfs/dbraw/zinc/75/90/51/405759051.db2.gz DHMVSMQZGYFQFO-CRAIPNDOSA-N 1 3 317.477 2.170 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@H]([NH3+])C1CCC1)c1ccsc1 ZINC000423321356 405759753 /nfs/dbraw/zinc/75/97/53/405759753.db2.gz HKASCCPLMZXQRU-LSDHHAIUSA-N 1 3 309.479 2.375 20 0 DEADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000459158210 405775405 /nfs/dbraw/zinc/77/54/05/405775405.db2.gz MZBOTXRDZNBGMP-HNNXBMFYSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000459158210 405775407 /nfs/dbraw/zinc/77/54/07/405775407.db2.gz MZBOTXRDZNBGMP-HNNXBMFYSA-N 1 3 324.513 2.233 20 0 DEADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CNC3)C12CCOCC2 ZINC000423365346 405778033 /nfs/dbraw/zinc/77/80/33/405778033.db2.gz BDBXCGZVFTVNTL-ZWKOTPCHSA-N 1 3 316.445 2.354 20 0 DEADHO C[C@@H]1COCC[C@@H]1N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423364053 405778942 /nfs/dbraw/zinc/77/89/42/405778942.db2.gz JHRXXRUJYHCQGN-NYUZSIGZSA-N 1 3 310.388 2.425 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000584111683 405828368 /nfs/dbraw/zinc/82/83/68/405828368.db2.gz PBNCUQLIJMRLKZ-UONOGXRCSA-N 1 3 322.453 2.011 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)[C@@H](N)c1ccccc1)[N@H+](C)C1CC1 ZINC000423385549 405785009 /nfs/dbraw/zinc/78/50/09/405785009.db2.gz RAGIALRHMVZMKM-CJNGLKHVSA-N 1 3 303.450 2.312 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)[C@@H](N)c1ccccc1)[N@@H+](C)C1CC1 ZINC000423385549 405785016 /nfs/dbraw/zinc/78/50/16/405785016.db2.gz RAGIALRHMVZMKM-CJNGLKHVSA-N 1 3 303.450 2.312 20 0 DEADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000494948377 405786439 /nfs/dbraw/zinc/78/64/39/405786439.db2.gz BPBIXSKIKAJNLC-GDBMZVCRSA-N 1 3 323.481 2.483 20 0 DEADHO C[C@H]([NH2+][C@H]1CCN[C@H](C)C1)c1cccc(N2CCOCC2)c1 ZINC000423400153 405790669 /nfs/dbraw/zinc/79/06/69/405790669.db2.gz WLEYPMRKKFZBSP-VYDXJSESSA-N 1 3 303.450 2.314 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H](N)CC2CCCCC2)C1 ZINC000423430120 405803837 /nfs/dbraw/zinc/80/38/37/405803837.db2.gz HWTFXOIOALFUCZ-IRXDYDNUSA-N 1 3 309.498 2.474 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000639001922 405812962 /nfs/dbraw/zinc/81/29/62/405812962.db2.gz RJHHLCSHKJEJBZ-QZTJIDSGSA-N 1 3 315.461 2.075 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CCC[C@@H]3C[NH3+])C2)cc1 ZINC000639006047 405818069 /nfs/dbraw/zinc/81/80/69/405818069.db2.gz QSZCFZHGWWBONN-FGTMMUONSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@@H]1C[C@H]([NH3+])CCN1CCC(=O)NCc1ccccc1Cl ZINC000584060943 405818448 /nfs/dbraw/zinc/81/84/48/405818448.db2.gz LQFVGLSDZMUARW-TZMCWYRMSA-N 1 3 309.841 2.158 20 0 DEADHO C[C@H](C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21)[C@@H](N)c1ccccc1 ZINC000639021192 405824074 /nfs/dbraw/zinc/82/40/74/405824074.db2.gz SKRKZEZXQVTAMT-QMTMVMCOSA-N 1 3 323.440 2.487 20 0 DEADHO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CNCCCO2)C1 ZINC000423492528 405825163 /nfs/dbraw/zinc/82/51/63/405825163.db2.gz NJMMSWNZPFKLKD-ZACQAIPSSA-N 1 3 303.450 2.384 20 0 DEADHO Cc1cccnc1[C@@H]1CCC[C@@H](NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000423492528 405825169 /nfs/dbraw/zinc/82/51/69/405825169.db2.gz NJMMSWNZPFKLKD-ZACQAIPSSA-N 1 3 303.450 2.384 20 0 DEADHO C[C@H]1CCN[C@@H](C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000423341386 405769654 /nfs/dbraw/zinc/76/96/54/405769654.db2.gz UHMLWSZREWGUDK-MAUKXSAKSA-N 1 3 315.461 2.287 20 0 DEADHO CC(C)(O)CN1CCC([NH2+][C@@H]2CCOc3c(F)cccc32)CC1 ZINC000639090186 405876047 /nfs/dbraw/zinc/87/60/47/405876047.db2.gz VIXUZELBRNFUII-MRXNPFEDSA-N 1 3 322.424 2.474 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000433138381 405876981 /nfs/dbraw/zinc/87/69/81/405876981.db2.gz SBBSYUFPRVITAP-HOCLYGCPSA-N 1 3 323.506 2.307 20 0 DEADHO C[C@@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)[C@H]2CCCC[C@@H]12 ZINC000560957225 405880430 /nfs/dbraw/zinc/88/04/30/405880430.db2.gz NZEAIAVNYRFMCH-QZWWFDLISA-N 1 3 307.482 2.084 20 0 DEADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)[C@H]2CCCC[C@@H]12 ZINC000560957225 405880437 /nfs/dbraw/zinc/88/04/37/405880437.db2.gz NZEAIAVNYRFMCH-QZWWFDLISA-N 1 3 307.482 2.084 20 0 DEADHO COCC[C@@H](Cc1ccco1)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000639036989 405834364 /nfs/dbraw/zinc/83/43/64/405834364.db2.gz XAJPKMFTLHPUGH-INIZCTEOSA-N 1 3 324.465 2.052 20 0 DEADHO Cc1cccc(CN2CC[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC000636328103 405896923 /nfs/dbraw/zinc/89/69/23/405896923.db2.gz SABYSYPWHFGRRP-ZWKOTPCHSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1cccc(CN2CC[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000636328103 405896929 /nfs/dbraw/zinc/89/69/29/405896929.db2.gz SABYSYPWHFGRRP-ZWKOTPCHSA-N 1 3 315.461 2.027 20 0 DEADHO C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCCNC1CC1 ZINC000423533314 405845766 /nfs/dbraw/zinc/84/57/66/405845766.db2.gz XHKUHYOSUTXYIF-MAUKXSAKSA-N 1 3 302.466 2.024 20 0 DEADHO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCCNC1CC1 ZINC000423533316 405845933 /nfs/dbraw/zinc/84/59/33/405845933.db2.gz XHKUHYOSUTXYIF-YJBOKZPZSA-N 1 3 302.466 2.024 20 0 DEADHO Cc1csc([C@H](C)CNC2CC[NH+](CC(C)(C)O)CC2)n1 ZINC000639059409 405853563 /nfs/dbraw/zinc/85/35/63/405853563.db2.gz KJABGRYMYDQVTN-GFCCVEGCSA-N 1 3 311.495 2.380 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000530842242 405868848 /nfs/dbraw/zinc/86/88/48/405868848.db2.gz PXTICFNTUJXWNK-OAHLLOKOSA-N 1 3 311.857 2.399 20 0 DEADHO CC(C)[N@H+](C)CC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000530842242 405868853 /nfs/dbraw/zinc/86/88/53/405868853.db2.gz PXTICFNTUJXWNK-OAHLLOKOSA-N 1 3 311.857 2.399 20 0 DEADHO CC(C)[N@@H+](C)CC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000530842242 405868860 /nfs/dbraw/zinc/86/88/60/405868860.db2.gz PXTICFNTUJXWNK-OAHLLOKOSA-N 1 3 311.857 2.399 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000423745959 405942116 /nfs/dbraw/zinc/94/21/16/405942116.db2.gz QLDMIBLXFLUKMJ-KRWDZBQOSA-N 1 3 303.450 2.239 20 0 DEADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C[NH2+]CC1CC1 ZINC000423746662 405943072 /nfs/dbraw/zinc/94/30/72/405943072.db2.gz OBTBAMMNWPABIN-UHFFFAOYSA-N 1 3 323.868 2.230 20 0 DEADHO C[C@@H]([NH3+])CCC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000423747035 405943197 /nfs/dbraw/zinc/94/31/97/405943197.db2.gz OPHYZHKAVOLNOE-QGZVFWFLSA-N 1 3 317.477 2.281 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cccc(F)c1N ZINC000639170707 405943969 /nfs/dbraw/zinc/94/39/69/405943969.db2.gz GKUWAYIHAWTTEJ-INIZCTEOSA-N 1 3 322.472 2.256 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cccc(F)c1N ZINC000639170707 405943972 /nfs/dbraw/zinc/94/39/72/405943972.db2.gz GKUWAYIHAWTTEJ-INIZCTEOSA-N 1 3 322.472 2.256 20 0 DEADHO CC(C)CN(C(=O)C[C@@H]1CCCC[C@@H]1[NH3+])C1CCN(C)CC1 ZINC000423760346 405951481 /nfs/dbraw/zinc/95/14/81/405951481.db2.gz NBUIJYFEZYGTCC-RDJZCZTQSA-N 1 3 309.498 2.473 20 0 DEADHO C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)[C@@H](N)c1ccccc1 ZINC000423775112 405958751 /nfs/dbraw/zinc/95/87/51/405958751.db2.gz LXQDLXXJHZFYNV-YQFWSFKMSA-N 1 3 303.450 2.121 20 0 DEADHO C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)[C@@H](N)c1ccccc1 ZINC000423775112 405958758 /nfs/dbraw/zinc/95/87/58/405958758.db2.gz LXQDLXXJHZFYNV-YQFWSFKMSA-N 1 3 303.450 2.121 20 0 DEADHO CN(C)C[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000423780110 405963376 /nfs/dbraw/zinc/96/33/76/405963376.db2.gz WGZNDYOEVSMGTJ-YUELXQCFSA-N 1 3 309.841 2.186 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000531052184 405901239 /nfs/dbraw/zinc/90/12/39/405901239.db2.gz BKDAZXUZRBPEKB-INIZCTEOSA-N 1 3 303.450 2.208 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000531052184 405901251 /nfs/dbraw/zinc/90/12/51/405901251.db2.gz BKDAZXUZRBPEKB-INIZCTEOSA-N 1 3 303.450 2.208 20 0 DEADHO CC1CCC(O)(CNC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000568858016 292372052 /nfs/dbraw/zinc/37/20/52/292372052.db2.gz YTZLYXRUQRLKEP-PQUAAJSLSA-N 1 3 310.482 2.018 20 0 DEADHO CC[NH+]1CCC(CNC(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000562438912 406009552 /nfs/dbraw/zinc/00/95/52/406009552.db2.gz UCUFYBZTCDCKHP-QGZVFWFLSA-N 1 3 322.497 2.034 20 0 DEADHO CC(C)[NH2+]CCC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000516648956 406100602 /nfs/dbraw/zinc/10/06/02/406100602.db2.gz DMBCTHFKXYKAMY-OAHLLOKOSA-N 1 3 311.857 2.447 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000532144704 406051124 /nfs/dbraw/zinc/05/11/24/406051124.db2.gz VPKJZFFOTFXZKY-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000532144704 406051126 /nfs/dbraw/zinc/05/11/26/406051126.db2.gz VPKJZFFOTFXZKY-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO Cc1cccc(C)c1OCCCNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000567681572 406117222 /nfs/dbraw/zinc/11/72/22/406117222.db2.gz VYDCZLKQMMINKF-QGZVFWFLSA-N 1 3 306.450 2.117 20 0 DEADHO Cc1cccc(C)c1OCCCNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000567681572 406117230 /nfs/dbraw/zinc/11/72/30/406117230.db2.gz VYDCZLKQMMINKF-QGZVFWFLSA-N 1 3 306.450 2.117 20 0 DEADHO COCCOCCN1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471833686 406122312 /nfs/dbraw/zinc/12/23/12/406122312.db2.gz LFLITOWHGSHKFZ-MOPGFXCFSA-N 1 3 320.477 2.322 20 0 DEADHO [NH3+][C@H](CCC(=O)NC[C@H]1NCCc2ccccc21)c1ccccc1 ZINC000567871725 406151776 /nfs/dbraw/zinc/15/17/76/406151776.db2.gz JTKZHYRQTZUAOT-RTBURBONSA-N 1 3 323.440 2.470 20 0 DEADHO O[C@H](Cc1ccccc1)C[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639683497 406203630 /nfs/dbraw/zinc/20/36/30/406203630.db2.gz IDNKVCLXINBKOI-LJQANCHMSA-N 1 3 311.429 2.197 20 0 DEADHO O[C@H](Cc1ccccc1)C[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639683497 406203634 /nfs/dbraw/zinc/20/36/34/406203634.db2.gz IDNKVCLXINBKOI-LJQANCHMSA-N 1 3 311.429 2.197 20 0 DEADHO NCc1cn([C@@H]2CCC[N@H+](Cc3cccc4ncccc34)C2)nn1 ZINC000634688376 406225591 /nfs/dbraw/zinc/22/55/91/406225591.db2.gz QMJYXIXJZYEYQL-MRXNPFEDSA-N 1 3 322.416 2.122 20 0 DEADHO NCc1cn([C@@H]2CCC[N@@H+](Cc3cccc4ncccc34)C2)nn1 ZINC000634688376 406225593 /nfs/dbraw/zinc/22/55/93/406225593.db2.gz QMJYXIXJZYEYQL-MRXNPFEDSA-N 1 3 322.416 2.122 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CNCc3ccccc32)C1 ZINC000519638420 406226708 /nfs/dbraw/zinc/22/67/08/406226708.db2.gz ATVYHRSKSMMAOP-QAPCUYQASA-N 1 3 315.461 2.110 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CNCc3ccccc32)C1 ZINC000519638420 406226713 /nfs/dbraw/zinc/22/67/13/406226713.db2.gz ATVYHRSKSMMAOP-QAPCUYQASA-N 1 3 315.461 2.110 20 0 DEADHO COc1ccc([C@H](C)CN2CCC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC000639762049 406239671 /nfs/dbraw/zinc/23/96/71/406239671.db2.gz JMUWKSHAQUGJIS-CRAIPNDOSA-N 1 3 306.450 2.187 20 0 DEADHO CC[NH+](CC)CCCNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000487537892 406243914 /nfs/dbraw/zinc/24/39/14/406243914.db2.gz LFRVTJICOTVYDZ-YESZJQIVSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H]1CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000639827728 406276037 /nfs/dbraw/zinc/27/60/37/406276037.db2.gz OHPCJAKOZFUCBT-ZIFCJYIRSA-N 1 3 318.461 2.123 20 0 DEADHO C[C@@H]1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000639827728 406276038 /nfs/dbraw/zinc/27/60/38/406276038.db2.gz OHPCJAKOZFUCBT-ZIFCJYIRSA-N 1 3 318.461 2.123 20 0 DEADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488592549 406333613 /nfs/dbraw/zinc/33/36/13/406333613.db2.gz HUDVHGXBGBJEDP-VVLHAWIVSA-N 1 3 324.513 2.088 20 0 DEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488592549 406333617 /nfs/dbraw/zinc/33/36/17/406333617.db2.gz HUDVHGXBGBJEDP-VVLHAWIVSA-N 1 3 324.513 2.088 20 0 DEADHO O[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)COCc1ccco1 ZINC000570037029 406335984 /nfs/dbraw/zinc/33/59/84/406335984.db2.gz LRHDETZPRCOZMS-KRWDZBQOSA-N 1 3 322.449 2.154 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000488910864 406360353 /nfs/dbraw/zinc/36/03/53/406360353.db2.gz LSDQLLLCAKPKBK-JKIFEVAISA-N 1 3 321.440 2.417 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000488910864 406360354 /nfs/dbraw/zinc/36/03/54/406360354.db2.gz LSDQLLLCAKPKBK-JKIFEVAISA-N 1 3 321.440 2.417 20 0 DEADHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)C[C@H]1CCc2ncnn21 ZINC000639894716 406304586 /nfs/dbraw/zinc/30/45/86/406304586.db2.gz GNRPXKLLTQTVNV-QGZVFWFLSA-N 1 3 313.449 2.349 20 0 DEADHO CC[N@H+](Cc1ccc(CN(C)C)cc1)C[C@H]1CCc2ncnn21 ZINC000639894716 406304593 /nfs/dbraw/zinc/30/45/93/406304593.db2.gz GNRPXKLLTQTVNV-QGZVFWFLSA-N 1 3 313.449 2.349 20 0 DEADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C[C@H]1CCc2ncnn21 ZINC000639894716 406304594 /nfs/dbraw/zinc/30/45/94/406304594.db2.gz GNRPXKLLTQTVNV-QGZVFWFLSA-N 1 3 313.449 2.349 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCCc2ccccc21 ZINC000569833026 406309739 /nfs/dbraw/zinc/30/97/39/406309739.db2.gz TZIPBDSSNPJPTJ-SFHVURJKSA-N 1 3 317.477 2.058 20 0 DEADHO O=C(CC[NH2+]C1CCN(C2CCCC2)CC1)Nc1cccnc1 ZINC000570391507 406386984 /nfs/dbraw/zinc/38/69/84/406386984.db2.gz YQOILSFXYWGJQH-UHFFFAOYSA-N 1 3 316.449 2.407 20 0 DEADHO C[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1cccc(-n2cnnn2)c1 ZINC000635009041 406398897 /nfs/dbraw/zinc/39/88/97/406398897.db2.gz GEXRWBJQUAAOQH-DZGCQCFKSA-N 1 3 314.437 2.091 20 0 DEADHO CC1(C)[C@H](Nc2cc(N3CCNCC3)cc[nH+]2)[C@H]2CCCO[C@@H]21 ZINC000635008907 406399047 /nfs/dbraw/zinc/39/90/47/406399047.db2.gz LECMBSXBIPSBTL-OIISXLGYSA-N 1 3 316.449 2.107 20 0 DEADHO C[C@H](CN[C@@H]1CCCCC[C@H]1[NH3+])c1ccc(S(C)(=O)=O)cc1 ZINC000635012485 406399667 /nfs/dbraw/zinc/39/96/67/406399667.db2.gz MPOKHZHHHALIRN-KBRIMQKVSA-N 1 3 324.490 2.443 20 0 DEADHO C[N@H+](CCC(=O)N1CC[C@H](N2CCCC2)C1)C1CCCCC1 ZINC000547429824 406409979 /nfs/dbraw/zinc/40/99/79/406409979.db2.gz MRPCQAQLQZJVCQ-KRWDZBQOSA-N 1 3 307.482 2.338 20 0 DEADHO C[N@@H+](CCC(=O)N1CC[C@H](N2CCCC2)C1)C1CCCCC1 ZINC000547429824 406409984 /nfs/dbraw/zinc/40/99/84/406409984.db2.gz MRPCQAQLQZJVCQ-KRWDZBQOSA-N 1 3 307.482 2.338 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000570681409 406425321 /nfs/dbraw/zinc/42/53/21/406425321.db2.gz UFFAAVGHNKUOSJ-LSDHHAIUSA-N 1 3 310.486 2.020 20 0 DEADHO CC[C@@H](N)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000570686979 406426916 /nfs/dbraw/zinc/42/69/16/406426916.db2.gz QRRWXWAACIJVDL-USXIJHARSA-N 1 3 303.450 2.235 20 0 DEADHO CC[C@@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000570686979 406426920 /nfs/dbraw/zinc/42/69/20/406426920.db2.gz QRRWXWAACIJVDL-USXIJHARSA-N 1 3 303.450 2.235 20 0 DEADHO C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000525223964 406476524 /nfs/dbraw/zinc/47/65/24/406476524.db2.gz YLLSFXNUPOADNK-WMZOPIPTSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000525223964 406476528 /nfs/dbraw/zinc/47/65/28/406476528.db2.gz YLLSFXNUPOADNK-WMZOPIPTSA-N 1 3 315.461 2.061 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC000637830773 406437233 /nfs/dbraw/zinc/43/72/33/406437233.db2.gz FJKNDZGYKXZOJV-INIZCTEOSA-N 1 3 303.450 2.268 20 0 DEADHO CC1(C)CNCC[C@@H]1[NH2+]CCc1nc(-c2ccccc2)no1 ZINC000571509148 406528684 /nfs/dbraw/zinc/52/86/84/406528684.db2.gz YUYYAJOBOZBVNE-AWEZNQCLSA-N 1 3 300.406 2.257 20 0 DEADHO CCN[C@H](C)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000638060943 406549805 /nfs/dbraw/zinc/54/98/05/406549805.db2.gz VJRHFEHWSZXXTB-CQSZACIVSA-N 1 3 307.438 2.344 20 0 DEADHO O=C(Nc1cccc2c1CC[NH2+]C2)[C@H]1CNCc2ccccc21 ZINC000571282224 406501745 /nfs/dbraw/zinc/50/17/45/406501745.db2.gz CTLMUZYWMNSALY-KRWDZBQOSA-N 1 3 307.397 2.158 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000491080092 406525758 /nfs/dbraw/zinc/52/57/58/406525758.db2.gz RVGLYOAETRJBQM-YLFCFFPRSA-N 1 3 324.513 2.087 20 0 DEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000491080092 406525761 /nfs/dbraw/zinc/52/57/61/406525761.db2.gz RVGLYOAETRJBQM-YLFCFFPRSA-N 1 3 324.513 2.087 20 0 DEADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000635619026 406628369 /nfs/dbraw/zinc/62/83/69/406628369.db2.gz FVYWRLNHEQZXFO-ROUUACIJSA-N 1 3 315.461 2.061 20 0 DEADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000635619026 406628376 /nfs/dbraw/zinc/62/83/76/406628376.db2.gz FVYWRLNHEQZXFO-ROUUACIJSA-N 1 3 315.461 2.061 20 0 DEADHO [NH3+]CC1(CC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000645787097 406628910 /nfs/dbraw/zinc/62/89/10/406628910.db2.gz WNCJOSLOBOPGAS-QGZVFWFLSA-N 1 3 315.461 2.144 20 0 DEADHO CC[NH2+][C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000638103615 406572121 /nfs/dbraw/zinc/57/21/21/406572121.db2.gz RPWZVVUCBIJEKV-ZMSDIMECSA-N 1 3 303.450 2.154 20 0 DEADHO CC[NH2+][C@H](C)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000638135207 406590115 /nfs/dbraw/zinc/59/01/15/406590115.db2.gz ROWCNHHMBGTOFA-OAHLLOKOSA-N 1 3 318.465 2.073 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC000635562519 406592204 /nfs/dbraw/zinc/59/22/04/406592204.db2.gz NZPCTGKCYVGGIV-MRXNPFEDSA-N 1 3 307.482 2.243 20 0 DEADHO C[NH+](C)CCOc1cccc(CNCc2ccc(CO)cc2)c1 ZINC000638381732 406738079 /nfs/dbraw/zinc/73/80/79/406738079.db2.gz NSRZGRMODHTRFP-UHFFFAOYSA-N 1 3 314.429 2.409 20 0 DEADHO CN(CC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)CC(C)(C)C ZINC000635737168 406716866 /nfs/dbraw/zinc/71/68/66/406716866.db2.gz VIQRWLGHUPBYSZ-INIZCTEOSA-N 1 3 309.498 2.155 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+]Cc2c(C)cccc2OC)CC1 ZINC000638363334 406725940 /nfs/dbraw/zinc/72/59/40/406725940.db2.gz MFKFQZYSVBUNLB-MRXNPFEDSA-N 1 3 305.466 2.119 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)N(CC)CC ZINC000339459584 286734703 /nfs/dbraw/zinc/73/47/03/286734703.db2.gz BCECHQFBKYWRGU-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000646105895 406783249 /nfs/dbraw/zinc/78/32/49/406783249.db2.gz KSNKLNBISWOTEL-BZSNNMDCSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)[C@@H]1CC12CC2 ZINC000527871798 406775642 /nfs/dbraw/zinc/77/56/42/406775642.db2.gz UEFYTHDEDGVQRK-YOEHRIQHSA-N 1 3 315.461 2.256 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000646196931 406814189 /nfs/dbraw/zinc/81/41/89/406814189.db2.gz AHXADUORCPOLIQ-WOSRLPQWSA-N 1 3 306.454 2.235 20 0 DEADHO C[C@@H]1CCCCN1CCOc1ccccc1C(=O)NCCC[NH3+] ZINC000646584404 406883221 /nfs/dbraw/zinc/88/32/21/406883221.db2.gz KTWWXMRPKJYXEN-OAHLLOKOSA-N 1 3 319.449 2.018 20 0 DEADHO CCc1nc(C)c(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)o1 ZINC000641798725 406894929 /nfs/dbraw/zinc/89/49/29/406894929.db2.gz HNNPYXRVLNNUKQ-WMLDXEAASA-N 1 3 307.438 2.264 20 0 DEADHO C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(Nc4ccncc4)cc3)[C@@H]2C1 ZINC000646937264 406930151 /nfs/dbraw/zinc/93/01/51/406930151.db2.gz ITEGUOYAGGDORF-MAUKXSAKSA-N 1 3 322.412 2.023 20 0 DEADHO C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(Nc4ccncc4)cc3)[C@@H]2C1 ZINC000646937264 406930154 /nfs/dbraw/zinc/93/01/54/406930154.db2.gz ITEGUOYAGGDORF-MAUKXSAKSA-N 1 3 322.412 2.023 20 0 DEADHO C[C@H](N[C@@H]1CCC[NH2+]CC1)c1cccc(N2CCOCC2)c1 ZINC000643521669 407010237 /nfs/dbraw/zinc/01/02/37/407010237.db2.gz UJZQQXWNXTTYHO-DOTOQJQBSA-N 1 3 303.450 2.316 20 0 DEADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc2c(c1)OCC(=O)N2 ZINC000643523836 407010834 /nfs/dbraw/zinc/01/08/34/407010834.db2.gz ZWNXZQGKXDOBGA-LBPRGKRZSA-N 1 3 323.396 2.472 20 0 DEADHO F[C@@H]1CN[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000643538708 407012337 /nfs/dbraw/zinc/01/23/37/407012337.db2.gz SHELXGNONHDGGG-VPAKFMSCSA-N 1 3 317.452 2.472 20 0 DEADHO CN(C)c1ncc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647543655 407017615 /nfs/dbraw/zinc/01/76/15/407017615.db2.gz QWNYJSIYLNDUAN-UONOGXRCSA-N 1 3 308.495 2.421 20 0 DEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCNCC1 ZINC000643456150 407002535 /nfs/dbraw/zinc/00/25/35/407002535.db2.gz KOIHUARCCASTSS-JFIYKMOQSA-N 1 3 302.466 2.024 20 0 DEADHO COc1ccc2[nH]cc(CC[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)N)c2c1 ZINC000643453995 407002544 /nfs/dbraw/zinc/00/25/44/407002544.db2.gz RVZQORJOQSJRLQ-XHBKTUGNSA-N 1 3 317.433 2.061 20 0 DEADHO C[C@@H](NC[C@H]1CCCC[NH2+]1)c1cccc(OCCN(C)C)c1 ZINC000643501733 407008838 /nfs/dbraw/zinc/00/88/38/407008838.db2.gz OVXBIPMSIDOHSC-NVXWUHKLSA-N 1 3 305.466 2.420 20 0 DEADHO CN(C(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)C1CCCCC1 ZINC000647975246 407091503 /nfs/dbraw/zinc/09/15/03/407091503.db2.gz RZTIAUBEWBZLQF-IRXDYDNUSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)C1 ZINC000647975141 407091612 /nfs/dbraw/zinc/09/16/12/407091612.db2.gz MPKMTZWJQKIIGP-XWTMOSNGSA-N 1 3 321.509 2.203 20 0 DEADHO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)NCc1ccccc1 ZINC000647975305 407092037 /nfs/dbraw/zinc/09/20/37/407092037.db2.gz VQFDOBCERULKGG-MSOLQXFVSA-N 1 3 315.461 2.014 20 0 DEADHO CNC(=O)c1cccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647977383 407092912 /nfs/dbraw/zinc/09/29/12/407092912.db2.gz ANYHHPCAZPANKZ-QZTJIDSGSA-N 1 3 315.461 2.258 20 0 DEADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000644154936 407097728 /nfs/dbraw/zinc/09/77/28/407097728.db2.gz BALJXBLXAUCHBW-HNNXBMFYSA-N 1 3 323.868 2.228 20 0 DEADHO Cc1ccc(SCCN(C)CCN2CC[NH2+]CC2)cc1C ZINC000647835805 407058845 /nfs/dbraw/zinc/05/88/45/407058845.db2.gz PDCQYOAWYMVATM-UHFFFAOYSA-N 1 3 307.507 2.233 20 0 DEADHO CN(CCC[NH3+])CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000647848145 407060676 /nfs/dbraw/zinc/06/06/76/407060676.db2.gz HIBNKLBSOPWVTR-UHFFFAOYSA-N 1 3 303.328 2.315 20 0 DEADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+]C2COCCOC2)C3)cc1 ZINC000644553521 407141129 /nfs/dbraw/zinc/14/11/29/407141129.db2.gz UWMSCAYIBIZXMN-LUPIEILUSA-N 1 3 316.445 2.187 20 0 DEADHO CC(C)[NH+]1CCC(O)(CNCc2ccnn2C2CCCC2)CC1 ZINC000648472270 407186206 /nfs/dbraw/zinc/18/62/06/407186206.db2.gz JTOSHQFVDWXTGK-UHFFFAOYSA-N 1 3 320.481 2.323 20 0 DEADHO CCCN(C(=O)NCCC[NH+]1CCC(C)CC1)[C@H]1CCN(C)C1 ZINC000645130972 407235918 /nfs/dbraw/zinc/23/59/18/407235918.db2.gz JZRCDYDSEXGVRN-KRWDZBQOSA-N 1 3 324.513 2.234 20 0 DEADHO Cc1nccnc1CC[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000645205476 407246612 /nfs/dbraw/zinc/24/66/12/407246612.db2.gz HEQOOAYKDFMNNR-UHFFFAOYSA-N 1 3 314.433 2.058 20 0 DEADHO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CCN(c2ccncc2)CC1 ZINC000645222049 407248826 /nfs/dbraw/zinc/24/88/26/407248826.db2.gz UXHVXNZLLBCNDS-IAGOWNOFSA-N 1 3 316.449 2.028 20 0 DEADHO CC[C@H](CN[C@H]1CCN(C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC000130593402 196093941 /nfs/dbraw/zinc/09/39/41/196093941.db2.gz FGOBZPFPPPLYJF-LSDHHAIUSA-N 1 3 311.470 2.460 20 0 DEADHO C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420342864 287291832 /nfs/dbraw/zinc/29/18/32/287291832.db2.gz QCXNDUPYFNMVIN-QZWWFDLISA-N 1 3 307.482 2.003 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000185479132 287350981 /nfs/dbraw/zinc/35/09/81/287350981.db2.gz IZNOZQIGJWOIAE-MRXNPFEDSA-N 1 3 324.513 2.140 20 0 DEADHO C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000296599228 226034680 /nfs/dbraw/zinc/03/46/80/226034680.db2.gz YGTVPDIKDYDXSX-QAPCUYQASA-N 1 3 319.518 2.275 20 0 DEADHO CC(C)[NH2+]CCCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000572467194 292620942 /nfs/dbraw/zinc/62/09/42/292620942.db2.gz NUPGFHCBJKRKKX-RDJZCZTQSA-N 1 3 320.481 2.365 20 0 DEADHO COc1ccc(CNCC2(C)CC[NH2+]CC2)c(OC)c1OC ZINC000414912435 228587982 /nfs/dbraw/zinc/58/79/82/228587982.db2.gz UQEJAUOTIFEIJD-UHFFFAOYSA-N 1 3 308.422 2.192 20 0 DEADHO CC(C)C[NH2+][C@@H](C)CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001423173807 1173142705 /nfs/dbraw/zinc/14/27/05/1173142705.db2.gz RIMBBNVQSVBCGH-HNNXBMFYSA-N 1 3 305.466 2.454 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000418094249 229217277 /nfs/dbraw/zinc/21/72/77/229217277.db2.gz DNBACZFPEHKTMX-ZNMIVQPWSA-N 1 3 310.486 2.018 20 0 DEADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CCC([NH3+])CC1)N(C)C ZINC000418179830 292645158 /nfs/dbraw/zinc/64/51/58/292645158.db2.gz JXBXCLOHXUJQSQ-RHSMWYFYSA-N 1 3 318.465 2.119 20 0 DEADHO Cc1ccc(NC(=O)NC(C)(C)CC[NH3+])c(OCCN(C)C)c1 ZINC000422560492 230142597 /nfs/dbraw/zinc/14/25/97/230142597.db2.gz XNWYPKBNYVFEQN-UHFFFAOYSA-N 1 3 322.453 2.184 20 0 DEADHO COc1cc(OC)c(CNC2CCC(C[NH3+])CC2)c(OC)c1 ZINC000422696401 230167536 /nfs/dbraw/zinc/16/75/36/230167536.db2.gz RMXYSZSPMMDAIN-UHFFFAOYSA-N 1 3 308.422 2.320 20 0 DEADHO [NH3+][C@@H]1CCCCC[C@H]1NCc1cccc(CN2CCOCC2)c1 ZINC000422697749 230168697 /nfs/dbraw/zinc/16/86/97/230168697.db2.gz VZGBJJHUVXZJKC-RTBURBONSA-N 1 3 317.477 2.268 20 0 DEADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000422697749 230168700 /nfs/dbraw/zinc/16/87/00/230168700.db2.gz VZGBJJHUVXZJKC-RTBURBONSA-N 1 3 317.477 2.268 20 0 DEADHO COCCN(C)CC[C@H](N[C@@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000422712702 230171955 /nfs/dbraw/zinc/17/19/55/230171955.db2.gz ITIYNODABHIWFF-FGTMMUONSA-N 1 3 305.466 2.165 20 0 DEADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000422720546 230177996 /nfs/dbraw/zinc/17/79/96/230177996.db2.gz SQVTVYAFRAOXAB-GOEBONIOSA-N 1 3 324.428 2.305 20 0 DEADHO C[C@H](C[C@H]1COCCN1)[NH2+]CC(C)(C)N1C[C@H](C)C[C@H](C)C1 ZINC000422755941 230192703 /nfs/dbraw/zinc/19/27/03/230192703.db2.gz IHKODRGFCQFGHX-TWMKSMIVSA-N 1 3 311.514 2.100 20 0 DEADHO C[C@H](C[C@H]1COCCN1)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422755941 230192707 /nfs/dbraw/zinc/19/27/07/230192707.db2.gz IHKODRGFCQFGHX-TWMKSMIVSA-N 1 3 311.514 2.100 20 0 DEADHO C[C@H](C[C@H]1COCCN1)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422755941 230192713 /nfs/dbraw/zinc/19/27/13/230192713.db2.gz IHKODRGFCQFGHX-TWMKSMIVSA-N 1 3 311.514 2.100 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(OC(F)(F)F)cc1 ZINC000422799798 230215850 /nfs/dbraw/zinc/21/58/50/230215850.db2.gz YMPBDYLUZBKGHJ-BPNCWPANSA-N 1 3 318.339 2.427 20 0 DEADHO O=C(NCC[NH2+]C1CCCCCC1)C1CCN(C2CC2)CC1 ZINC000422881589 230257683 /nfs/dbraw/zinc/25/76/83/230257683.db2.gz ZBFSDPQHJJIBRW-UHFFFAOYSA-N 1 3 307.482 2.289 20 0 DEADHO COC1CCN(C2(CN[C@H](C)[C@H]3CCC[NH2+]3)CCCC2)CC1 ZINC000422887396 230260028 /nfs/dbraw/zinc/26/00/28/230260028.db2.gz KWODZVFXOAFSEY-NVXWUHKLSA-N 1 3 309.498 2.140 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)COCC(F)(F)F ZINC000422949840 230289991 /nfs/dbraw/zinc/28/99/91/230289991.db2.gz WUFCLXQRCKQGDU-ZJUUUORDSA-N 1 3 305.344 2.467 20 0 DEADHO Cc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1S(C)(=O)=O ZINC000423072058 230336806 /nfs/dbraw/zinc/33/68/06/230336806.db2.gz GPAVKLPTYJOBNE-CABCVRRESA-N 1 3 310.463 2.006 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2CN)cc1S(C)(=O)=O ZINC000423072058 230336813 /nfs/dbraw/zinc/33/68/13/230336813.db2.gz GPAVKLPTYJOBNE-CABCVRRESA-N 1 3 310.463 2.006 20 0 DEADHO C[C@H](NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)C1C[NH2+]C1 ZINC000423075302 230340776 /nfs/dbraw/zinc/34/07/76/230340776.db2.gz OFMVKAQOGMGRPC-MORSLUCNSA-N 1 3 306.425 2.097 20 0 DEADHO C[C@H]([NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)C1CNC1 ZINC000423075302 230340780 /nfs/dbraw/zinc/34/07/80/230340780.db2.gz OFMVKAQOGMGRPC-MORSLUCNSA-N 1 3 306.425 2.097 20 0 DEADHO N[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCC1 ZINC000399174875 424922445 /nfs/dbraw/zinc/92/24/45/424922445.db2.gz HINOKKJCOFGJOO-SJLPKXTDSA-N 1 3 315.461 2.142 20 0 DEADHO N[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000399174875 424922448 /nfs/dbraw/zinc/92/24/48/424922448.db2.gz HINOKKJCOFGJOO-SJLPKXTDSA-N 1 3 315.461 2.142 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CC1([NH3+])CCC1 ZINC000398109173 424922844 /nfs/dbraw/zinc/92/28/44/424922844.db2.gz CKAPIRURPICCRU-RDJZCZTQSA-N 1 3 315.461 2.285 20 0 DEADHO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CCCCN1C1CCCC1 ZINC000648922191 424928949 /nfs/dbraw/zinc/92/89/49/424928949.db2.gz XDDYRYGNFUSCHD-WMZOPIPTSA-N 1 3 319.493 2.384 20 0 DEADHO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CCCCN1C1CCCC1 ZINC000648922191 424928950 /nfs/dbraw/zinc/92/89/50/424928950.db2.gz XDDYRYGNFUSCHD-WMZOPIPTSA-N 1 3 319.493 2.384 20 0 DEADHO C[C@H](C(=O)N1CCc2ccccc2[C@H]1C[NH3+])N1CCCCCC1 ZINC000649371438 425003126 /nfs/dbraw/zinc/00/31/26/425003126.db2.gz GBNFMXOZCGNERT-CRAIPNDOSA-N 1 3 315.461 2.336 20 0 DEADHO CCN(C(=O)[C@H]1CCC[NH2+]1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000649305992 424989019 /nfs/dbraw/zinc/98/90/19/424989019.db2.gz SMUXJMUGAWUNQW-BPQIPLTHSA-N 1 3 315.461 2.422 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CNCCC1(F)F ZINC000649310503 424990963 /nfs/dbraw/zinc/99/09/63/424990963.db2.gz OOYBSNCMDWTDNG-KGLIPLIRSA-N 1 3 317.424 2.002 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CNCCC1(F)F ZINC000649310503 424990966 /nfs/dbraw/zinc/99/09/66/424990966.db2.gz OOYBSNCMDWTDNG-KGLIPLIRSA-N 1 3 317.424 2.002 20 0 DEADHO C[C@H](c1ccccc1)[C@@H](O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000649351896 424999178 /nfs/dbraw/zinc/99/91/78/424999178.db2.gz NEOIMLDDXPKBGF-APWZRJJASA-N 1 3 311.429 2.368 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)N(CC)CC ZINC000649363610 425001236 /nfs/dbraw/zinc/00/12/36/425001236.db2.gz IHAAQDAYYSFFJG-GVDBMIGSSA-N 1 3 309.498 2.345 20 0 DEADHO CCOc1c(CNCCC2(C[NH3+])CC2)c(C)nn1CC(C)C ZINC000650712325 425041674 /nfs/dbraw/zinc/04/16/74/425041674.db2.gz AORIXXALPWNGBC-UHFFFAOYSA-N 1 3 308.470 2.465 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000650759161 425049841 /nfs/dbraw/zinc/04/98/41/425049841.db2.gz FIVPDUDAODFXBG-DNMXQMFDSA-N 1 3 303.450 2.145 20 0 DEADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(C)CCN1CCCCC1 ZINC000650857430 425068098 /nfs/dbraw/zinc/06/80/98/425068098.db2.gz YGCHAOMIWBKXOI-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO O[C@]1(CCNC2CC[NH+](C3CCCCC3)CC2)CCCOC1 ZINC000652041176 425168167 /nfs/dbraw/zinc/16/81/67/425168167.db2.gz VMLNMESMYOMEBR-SFHVURJKSA-N 1 3 310.482 2.305 20 0 DEADHO O[C@]1(CC[NH2+]C2CCN(C3CCCCC3)CC2)CCCOC1 ZINC000652041176 425168171 /nfs/dbraw/zinc/16/81/71/425168171.db2.gz VMLNMESMYOMEBR-SFHVURJKSA-N 1 3 310.482 2.305 20 0 DEADHO CC(C)[C@H]([NH3+])CCNCc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000663497722 425173482 /nfs/dbraw/zinc/17/34/82/425173482.db2.gz FHXYMLMVYDPXGX-CQSZACIVSA-N 1 3 316.405 2.268 20 0 DEADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000660612026 425175034 /nfs/dbraw/zinc/17/50/34/425175034.db2.gz QPBBAMORCQSEFX-OWCLPIDISA-N 1 3 324.513 2.421 20 0 DEADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000660612026 425175037 /nfs/dbraw/zinc/17/50/37/425175037.db2.gz QPBBAMORCQSEFX-OWCLPIDISA-N 1 3 324.513 2.421 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)[NH2+]CC2(N)CCCC2)c1 ZINC000656789692 425191489 /nfs/dbraw/zinc/19/14/89/425191489.db2.gz VRQZIGUBILUHSL-ZDUSSCGKSA-N 1 3 305.422 2.273 20 0 DEADHO CN1CC[C@]2(C1)CCC[N@H+](C[C@H](O)COCc1cccs1)C2 ZINC000660653905 425194226 /nfs/dbraw/zinc/19/42/26/425194226.db2.gz DKFIHRMNCHDDCR-RDJZCZTQSA-N 1 3 324.490 2.043 20 0 DEADHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)COCc1cccs1)C2 ZINC000660653905 425194230 /nfs/dbraw/zinc/19/42/30/425194230.db2.gz DKFIHRMNCHDDCR-RDJZCZTQSA-N 1 3 324.490 2.043 20 0 DEADHO [NH3+][C@H]1CCC[C@H](NCc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000666852287 425197290 /nfs/dbraw/zinc/19/72/90/425197290.db2.gz ZQFXOJFCTSAUDC-KBPBESRZSA-N 1 3 314.389 2.165 20 0 DEADHO CCN(C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C)[C@H]1CCN(CC)C1 ZINC000663627134 425199806 /nfs/dbraw/zinc/19/98/06/425199806.db2.gz CCDPEQDZNQPIRH-IKGGRYGDSA-N 1 3 324.513 2.375 20 0 DEADHO CCN(C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C)[C@H]1CCN(CC)C1 ZINC000663627134 425199813 /nfs/dbraw/zinc/19/98/13/425199813.db2.gz CCDPEQDZNQPIRH-IKGGRYGDSA-N 1 3 324.513 2.375 20 0 DEADHO CC(C)N(C)C[C@H](O)C[N@H+](C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000660555381 425159148 /nfs/dbraw/zinc/15/91/48/425159148.db2.gz YHDWWAQYFAKMFQ-AOIWGVFYSA-N 1 3 322.493 2.174 20 0 DEADHO CC(C)N(C)C[C@H](O)C[N@@H+](C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000660555381 425159151 /nfs/dbraw/zinc/15/91/51/425159151.db2.gz YHDWWAQYFAKMFQ-AOIWGVFYSA-N 1 3 322.493 2.174 20 0 DEADHO CCN(C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1)[C@H]1CCN(C)C1 ZINC000663773259 425232059 /nfs/dbraw/zinc/23/20/59/425232059.db2.gz DKFYDZRWKUTVGX-BQFCYCMXSA-N 1 3 324.513 2.233 20 0 DEADHO CCN(C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCN(C)C1 ZINC000663799627 425238255 /nfs/dbraw/zinc/23/82/55/425238255.db2.gz DUJCHIIKZHHEPQ-QBPKDAKJSA-N 1 3 324.513 2.088 20 0 DEADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000660842190 425253900 /nfs/dbraw/zinc/25/39/00/425253900.db2.gz VAOCHVKPOBZICS-IAGOWNOFSA-N 1 3 324.513 2.138 20 0 DEADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000660842190 425253904 /nfs/dbraw/zinc/25/39/04/425253904.db2.gz VAOCHVKPOBZICS-IAGOWNOFSA-N 1 3 324.513 2.138 20 0 DEADHO C[N@H+](CCNC(=O)NC[C@H]1CCN1C(C)(C)C)C1CCCCC1 ZINC000663885372 425258636 /nfs/dbraw/zinc/25/86/36/425258636.db2.gz DHVUELOOJDOQGE-MRXNPFEDSA-N 1 3 324.513 2.423 20 0 DEADHO C[N@@H+](CCNC(=O)NC[C@H]1CCN1C(C)(C)C)C1CCCCC1 ZINC000663885372 425258640 /nfs/dbraw/zinc/25/86/40/425258640.db2.gz DHVUELOOJDOQGE-MRXNPFEDSA-N 1 3 324.513 2.423 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)NC[C@H]2CCN2C(C)(C)C)CC1 ZINC000660857195 425259441 /nfs/dbraw/zinc/25/94/41/425259441.db2.gz HSTHFXWUJQJNAL-MRXNPFEDSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCN2C(C)(C)C)C1 ZINC000660890651 425269885 /nfs/dbraw/zinc/26/98/85/425269885.db2.gz RSJYXKSIBSSXGK-CVEARBPZSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCN2C(C)(C)C)C1 ZINC000660890651 425269888 /nfs/dbraw/zinc/26/98/88/425269888.db2.gz RSJYXKSIBSSXGK-CVEARBPZSA-N 1 3 324.513 2.136 20 0 DEADHO CC[N@H+](CCCNC(=O)Cc1nc[nH]c1C)C1CCCCC1 ZINC000652756544 425320916 /nfs/dbraw/zinc/32/09/16/425320916.db2.gz KIZZBJCHNPCUSP-UHFFFAOYSA-N 1 3 306.454 2.422 20 0 DEADHO CC[N@@H+](CCCNC(=O)Cc1nc[nH]c1C)C1CCCCC1 ZINC000652756544 425320920 /nfs/dbraw/zinc/32/09/20/425320920.db2.gz KIZZBJCHNPCUSP-UHFFFAOYSA-N 1 3 306.454 2.422 20 0 DEADHO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654374257 425335920 /nfs/dbraw/zinc/33/59/20/425335920.db2.gz VOYPVFYBVKRAOI-BZUAXINKSA-N 1 3 310.486 2.033 20 0 DEADHO Cn1nc(C(F)(F)F)cc1CNCC1CC[NH+](C2CC2)CC1 ZINC000657450484 425337072 /nfs/dbraw/zinc/33/70/72/425337072.db2.gz VTVPOOWZZUQHOK-UHFFFAOYSA-N 1 3 316.371 2.403 20 0 DEADHO C[NH2+]Cc1ccc(NC(=O)N(C)CCN2CCCCC2)cc1 ZINC000652611742 425302293 /nfs/dbraw/zinc/30/22/93/425302293.db2.gz VMKMDQHKQAAHCN-UHFFFAOYSA-N 1 3 304.438 2.356 20 0 DEADHO OC1CC[NH+](CCCNCc2cc3ccncc3s2)CC1 ZINC000657325016 425304487 /nfs/dbraw/zinc/30/44/87/425304487.db2.gz FGJSSKWHZFNFIA-UHFFFAOYSA-N 1 3 305.447 2.233 20 0 DEADHO Cn1nc(C(F)(F)F)cc1CNCCC1CC[NH+](C)CC1 ZINC000657348403 425311223 /nfs/dbraw/zinc/31/12/23/425311223.db2.gz VBCYDSZBZVGEKR-UHFFFAOYSA-N 1 3 304.360 2.260 20 0 DEADHO Cc1nc2ccccc2nc1NCC[N@@H+](C)CCCN(C)C ZINC000664246972 425344501 /nfs/dbraw/zinc/34/45/01/425344501.db2.gz BXIQBWZACOTQGI-UHFFFAOYSA-N 1 3 301.438 2.234 20 0 DEADHO Cc1nc2ccccc2nc1NCC[N@H+](C)CCCN(C)C ZINC000664246972 425344503 /nfs/dbraw/zinc/34/45/03/425344503.db2.gz BXIQBWZACOTQGI-UHFFFAOYSA-N 1 3 301.438 2.234 20 0 DEADHO CN(C)CCC[N@H+](C)CCNc1cccc(C(F)(F)F)n1 ZINC000664247630 425344637 /nfs/dbraw/zinc/34/46/37/425344637.db2.gz PLHRCTVHXWFMCR-UHFFFAOYSA-N 1 3 304.360 2.396 20 0 DEADHO CN(C)CCC[N@@H+](C)CCNc1cccc(C(F)(F)F)n1 ZINC000664247630 425344639 /nfs/dbraw/zinc/34/46/39/425344639.db2.gz PLHRCTVHXWFMCR-UHFFFAOYSA-N 1 3 304.360 2.396 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000661207000 425351825 /nfs/dbraw/zinc/35/18/25/425351825.db2.gz WTJQXQNLYYQDOP-HZPDHXFCSA-N 1 3 312.502 2.135 20 0 DEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000661207000 425351827 /nfs/dbraw/zinc/35/18/27/425351827.db2.gz WTJQXQNLYYQDOP-HZPDHXFCSA-N 1 3 312.502 2.135 20 0 DEADHO CN1C[C@@H](C[NH2+]Cc2cnc3n2CCC3)[C@H](c2ccccc2)C1 ZINC000657500497 425352491 /nfs/dbraw/zinc/35/24/91/425352491.db2.gz OQQRWMXSVJNBJX-AEFFLSMTSA-N 1 3 310.445 2.264 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCC[C@H]2O)CC1 ZINC000088736819 267399538 /nfs/dbraw/zinc/39/95/38/267399538.db2.gz CPHPUPDUXOMYPX-PKOBYXMFSA-N 1 3 317.477 2.079 20 0 DEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653140285 425415826 /nfs/dbraw/zinc/41/58/26/425415826.db2.gz UFMSFISAHDPYDD-MRXNPFEDSA-N 1 3 321.440 2.106 20 0 DEADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000653105908 425405660 /nfs/dbraw/zinc/40/56/60/425405660.db2.gz NCKFEACKYGAEKP-QZTJIDSGSA-N 1 3 315.461 2.329 20 0 DEADHO NCc1cc(NC(=O)[C@@H]2CCC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC000653136501 425414589 /nfs/dbraw/zinc/41/45/89/425414589.db2.gz RYRMHSSDNAQNJJ-LLVKDONJSA-N 1 3 315.339 2.492 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000661295992 425372706 /nfs/dbraw/zinc/37/27/06/425372706.db2.gz ADTYJIKSDWIFLO-MRXNPFEDSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000661295992 425372710 /nfs/dbraw/zinc/37/27/10/425372710.db2.gz ADTYJIKSDWIFLO-MRXNPFEDSA-N 1 3 324.513 2.280 20 0 DEADHO Cc1ccncc1CNCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657596530 425373130 /nfs/dbraw/zinc/37/31/30/425373130.db2.gz NVZRHRCYEJJAEQ-LJQANCHMSA-N 1 3 311.429 2.246 20 0 DEADHO Cc1ccncc1CNCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657596530 425373133 /nfs/dbraw/zinc/37/31/33/425373133.db2.gz NVZRHRCYEJJAEQ-LJQANCHMSA-N 1 3 311.429 2.246 20 0 DEADHO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)CCO1 ZINC000657596144 425373562 /nfs/dbraw/zinc/37/35/62/425373562.db2.gz LHORJPPBJAVRTH-GUDVDZBRSA-N 1 3 318.461 2.300 20 0 DEADHO CCn1cncc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657612687 425375802 /nfs/dbraw/zinc/37/58/02/425375802.db2.gz CKXKIIXVSFMVBS-UHFFFAOYSA-N 1 3 313.449 2.300 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000661317163 425379335 /nfs/dbraw/zinc/37/93/35/425379335.db2.gz ZDFHZXYHCBJKOG-SJORKVTESA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000661317163 425379338 /nfs/dbraw/zinc/37/93/38/425379338.db2.gz ZDFHZXYHCBJKOG-SJORKVTESA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654566691 425384680 /nfs/dbraw/zinc/38/46/80/425384680.db2.gz LPZOQPIUAAGRHZ-XHSDSOJGSA-N 1 3 310.486 2.031 20 0 DEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654566691 425384681 /nfs/dbraw/zinc/38/46/81/425384681.db2.gz LPZOQPIUAAGRHZ-XHSDSOJGSA-N 1 3 310.486 2.031 20 0 DEADHO CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000654729513 425425863 /nfs/dbraw/zinc/42/58/63/425425863.db2.gz UHPRKRCNVZFLIQ-DLBZAZTESA-N 1 3 322.497 2.175 20 0 DEADHO CCn1cc([C@@H](C)NCC2CC[NH+](C3CCOCC3)CC2)cn1 ZINC000658068755 425432731 /nfs/dbraw/zinc/43/27/31/425432731.db2.gz ZBILUIRQAAKFPS-OAHLLOKOSA-N 1 3 320.481 2.445 20 0 DEADHO CC(C)[NH+](CCCNC(=O)NC1CCN(C2CC2)CC1)C(C)C ZINC000174137704 267490634 /nfs/dbraw/zinc/49/06/34/267490634.db2.gz ZKJFBLYBBAKNSO-UHFFFAOYSA-N 1 3 324.513 2.421 20 0 DEADHO C[C@H]([NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1)[C@H]1CCCOC1 ZINC000658137947 425443793 /nfs/dbraw/zinc/44/37/93/425443793.db2.gz LEXAEIUYKTYMTF-ZYSHUDEJSA-N 1 3 318.461 2.158 20 0 DEADHO O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@H]1CCN1 ZINC000653253338 425444751 /nfs/dbraw/zinc/44/47/51/425444751.db2.gz QFBPUTWDRPRXQB-OAHLLOKOSA-N 1 3 305.447 2.175 20 0 DEADHO CN(CCN1CCCCC1)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000653274731 425449510 /nfs/dbraw/zinc/44/95/10/425449510.db2.gz NNQKTTQFRQYYSK-RYTJFDOTSA-N 1 3 307.482 2.084 20 0 DEADHO O[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000658348772 425475153 /nfs/dbraw/zinc/47/51/53/425475153.db2.gz REVRQDGKHUSHEE-LTFXXXRZSA-N 1 3 300.446 2.400 20 0 DEADHO O[C@H]1C[C@H](N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000658348772 425475156 /nfs/dbraw/zinc/47/51/56/425475156.db2.gz REVRQDGKHUSHEE-LTFXXXRZSA-N 1 3 300.446 2.400 20 0 DEADHO O[C@H]1C[C@H](N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000658348772 425475165 /nfs/dbraw/zinc/47/51/65/425475165.db2.gz REVRQDGKHUSHEE-LTFXXXRZSA-N 1 3 300.446 2.400 20 0 DEADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@H]1CCCCN1 ZINC000665240945 425527058 /nfs/dbraw/zinc/52/70/58/425527058.db2.gz WICKYLRXTZHCNV-QFBILLFUSA-N 1 3 316.493 2.414 20 0 DEADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000665281016 425536600 /nfs/dbraw/zinc/53/66/00/425536600.db2.gz RPWSHRYIQGDNFV-SWLSCSKDSA-N 1 3 313.467 2.082 20 0 DEADHO Fc1cccc(C[C@H]2CCC[N@@H+]2C[C@H]2CCC3(CNC3)O2)c1 ZINC000662251918 425601152 /nfs/dbraw/zinc/60/11/52/425601152.db2.gz IOEBISBTMHBQTF-IAGOWNOFSA-N 1 3 304.409 2.354 20 0 DEADHO Fc1cccc(C[C@H]2CCC[N@H+]2C[C@H]2CCC3(CNC3)O2)c1 ZINC000662251918 425601154 /nfs/dbraw/zinc/60/11/54/425601154.db2.gz IOEBISBTMHBQTF-IAGOWNOFSA-N 1 3 304.409 2.354 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N[C@H](C)C[NH2+]C)c1ccsc1 ZINC000659435197 425603199 /nfs/dbraw/zinc/60/31/99/425603199.db2.gz VQSNCXRMKDKWRK-TZMCWYRMSA-N 1 3 312.483 2.038 20 0 DEADHO c1cc([C@@H]2CCCN2C[C@H]2CCC3(C[NH2+]C3)O2)cc2c1OCO2 ZINC000662255831 425604042 /nfs/dbraw/zinc/60/40/42/425604042.db2.gz FBHAGJVPNSWWSJ-CABCVRRESA-N 1 3 316.401 2.073 20 0 DEADHO CCCCN(C)CCNC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659455153 425607789 /nfs/dbraw/zinc/60/77/89/425607789.db2.gz UBECBRRPWCHYTA-KRWDZBQOSA-N 1 3 324.513 2.140 20 0 DEADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C[C@@H]1NCc2ccccc21 ZINC000662404729 425643839 /nfs/dbraw/zinc/64/38/39/425643839.db2.gz UVMXCFIUCABJDO-RKVPGOIHSA-N 1 3 315.461 2.458 20 0 DEADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C[C@@H]1NCc2ccccc21 ZINC000662404729 425643842 /nfs/dbraw/zinc/64/38/42/425643842.db2.gz UVMXCFIUCABJDO-RKVPGOIHSA-N 1 3 315.461 2.458 20 0 DEADHO C[C@H](CC[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)N1CCCCC1 ZINC000655754423 425645534 /nfs/dbraw/zinc/64/55/34/425645534.db2.gz QEEYUEAQVPHDES-MJGOQNOKSA-N 1 3 323.525 2.484 20 0 DEADHO C[C@H](CNC(=O)C[C@@H]1NCc2ccccc21)[NH+]1CCC(C)CC1 ZINC000662416564 425645703 /nfs/dbraw/zinc/64/57/03/425645703.db2.gz CZMVHMLVDZYWGS-QAPCUYQASA-N 1 3 315.461 2.458 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000662451476 425654161 /nfs/dbraw/zinc/65/41/61/425654161.db2.gz BTQHYCRGCQIQRM-AEFFLSMTSA-N 1 3 313.445 2.308 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc3c(s2)CCNC3)C1 ZINC000662482362 425662674 /nfs/dbraw/zinc/66/26/74/425662674.db2.gz XGOLHVOEYRESRV-ZDUSSCGKSA-N 1 3 321.490 2.198 20 0 DEADHO C[NH+](C)CC1CCC(NC(=O)c2cccc3c2CNC3)CC1 ZINC000662507497 425668807 /nfs/dbraw/zinc/66/88/07/425668807.db2.gz OJRBZDHHASOBQM-UHFFFAOYSA-N 1 3 301.434 2.140 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000662523695 425674433 /nfs/dbraw/zinc/67/44/33/425674433.db2.gz QXFSBXWAJWFJNF-ZVZYQTTQSA-N 1 3 313.445 2.069 20 0 DEADHO O=C(NC1CC([NH+]2CCCCC2)C1)c1cc2c(s1)CCNC2 ZINC000662532407 425675797 /nfs/dbraw/zinc/67/57/97/425675797.db2.gz AKIATTYNICSIDA-UHFFFAOYSA-N 1 3 319.474 2.141 20 0 DEADHO CC(C)[C@H]([NH3+])CCNC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000659477221 425612039 /nfs/dbraw/zinc/61/20/39/425612039.db2.gz HJBLPWSVLYWILY-NVXWUHKLSA-N 1 3 320.481 2.180 20 0 DEADHO CC1(C)CN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC[C@H]1C(F)(F)F ZINC000662280896 425611989 /nfs/dbraw/zinc/61/19/89/425611989.db2.gz GXDCHGFPHISKEX-NWDGAFQWSA-N 1 3 306.372 2.418 20 0 DEADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(CCOCc2ccccc2)CC1 ZINC000662281340 425613077 /nfs/dbraw/zinc/61/30/77/425613077.db2.gz JQOCHOIWMXNQKP-RBUKOAKNSA-N 1 3 318.461 2.422 20 0 DEADHO C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292918 425615372 /nfs/dbraw/zinc/61/53/72/425615372.db2.gz BXVDDLYUNGXTDY-JFIYKMOQSA-N 1 3 321.509 2.488 20 0 DEADHO CCC(C)(C)NC(=O)[C@H](C)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294067 425615936 /nfs/dbraw/zinc/61/59/36/425615936.db2.gz ASMJJJWRPYICAQ-GOEBONIOSA-N 1 3 309.498 2.391 20 0 DEADHO CCCCCNC(=O)[C@@H](C)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297478 425617030 /nfs/dbraw/zinc/61/70/30/425617030.db2.gz QKLSNSMBKGTQRE-WBVHZDCISA-N 1 3 309.498 2.393 20 0 DEADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000655707421 425633059 /nfs/dbraw/zinc/63/30/59/425633059.db2.gz RFYRNIXYPWFQIH-NTDBWNAOSA-N 1 3 323.525 2.196 20 0 DEADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000655707420 425633207 /nfs/dbraw/zinc/63/32/07/425633207.db2.gz RFYRNIXYPWFQIH-MJQMVNBJSA-N 1 3 323.525 2.196 20 0 DEADHO CC(C)[NH+](CCCNC1CCN([C@H]2CCOC2)CC1)C(C)C ZINC000655717878 425636129 /nfs/dbraw/zinc/63/61/29/425636129.db2.gz FJNYARZONKHPOW-SFHVURJKSA-N 1 3 311.514 2.338 20 0 DEADHO C[C@H](CNC(=O)C[C@@H]1NCc2ccccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000662386465 425638314 /nfs/dbraw/zinc/63/83/14/425638314.db2.gz AJWROSBWDWWUMH-RKVPGOIHSA-N 1 3 315.461 2.458 20 0 DEADHO C[C@H](CNC(=O)C[C@@H]1NCc2ccccc21)[N@H+]1CCC[C@@H](C)C1 ZINC000662386465 425638315 /nfs/dbraw/zinc/63/83/15/425638315.db2.gz AJWROSBWDWWUMH-RKVPGOIHSA-N 1 3 315.461 2.458 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000665758692 425640134 /nfs/dbraw/zinc/64/01/34/425640134.db2.gz MKUKPSZIKVQFPN-GVDBMIGSSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000665758692 425640136 /nfs/dbraw/zinc/64/01/36/425640136.db2.gz MKUKPSZIKVQFPN-GVDBMIGSSA-N 1 3 324.513 2.233 20 0 DEADHO CN(CC[N@H+](C)C1CCCCC1)C(=O)C1(N)CC2(CCC2)C1 ZINC000662787780 425734871 /nfs/dbraw/zinc/73/48/71/425734871.db2.gz GCUSKSVOFNYIAX-UHFFFAOYSA-N 1 3 307.482 2.371 20 0 DEADHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)C1(N)CC2(CCC2)C1 ZINC000662787780 425734874 /nfs/dbraw/zinc/73/48/74/425734874.db2.gz GCUSKSVOFNYIAX-UHFFFAOYSA-N 1 3 307.482 2.371 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662792351 425737067 /nfs/dbraw/zinc/73/70/67/425737067.db2.gz FMGIHILTQQPTEW-DJIMGWMZSA-N 1 3 315.461 2.011 20 0 DEADHO CO[C@H](CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)C1CCCC1 ZINC000660118475 425742302 /nfs/dbraw/zinc/74/23/02/425742302.db2.gz UZLSBMJFJPOFDJ-XMTFNYHQSA-N 1 3 310.482 2.375 20 0 DEADHO C[C@H]1CC2(CN1C(=O)C[C@@H]1NCc3ccccc31)CC[NH2+]CC2 ZINC000662579904 425684914 /nfs/dbraw/zinc/68/49/14/425684914.db2.gz JRCCKUTUAVMROA-YOEHRIQHSA-N 1 3 313.445 2.212 20 0 DEADHO C[C@@H]1CC2(CN1C(=O)C[C@H]1NCc3ccccc31)CC[NH2+]CC2 ZINC000662579902 425685098 /nfs/dbraw/zinc/68/50/98/425685098.db2.gz JRCCKUTUAVMROA-RHSMWYFYSA-N 1 3 313.445 2.212 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cccc3c2CNC3)C1 ZINC000662589691 425687892 /nfs/dbraw/zinc/68/78/92/425687892.db2.gz CJFNRYUCTSYJGG-CYBMUJFWSA-N 1 3 301.434 2.140 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cccc3c2CNC3)C1 ZINC000662589691 425687895 /nfs/dbraw/zinc/68/78/95/425687895.db2.gz CJFNRYUCTSYJGG-CYBMUJFWSA-N 1 3 301.434 2.140 20 0 DEADHO C[NH+](C)Cc1cccc(CNC(=O)C2(NC3CC3)CCC2)c1 ZINC000662673554 425708857 /nfs/dbraw/zinc/70/88/57/425708857.db2.gz NCWOCVPESFQYKO-UHFFFAOYSA-N 1 3 301.434 2.039 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C2(NC3CC3)CCC2)C1 ZINC000662681516 425711558 /nfs/dbraw/zinc/71/15/58/425711558.db2.gz GZWBGITXPZJAJQ-GASCZTMLSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2(NC3CC3)CCC2)C1 ZINC000662681516 425711562 /nfs/dbraw/zinc/71/15/62/425711562.db2.gz GZWBGITXPZJAJQ-GASCZTMLSA-N 1 3 307.482 2.145 20 0 DEADHO O=C(NC1CC[NH+](CC2CCCC2)CC1)C1(NC2CC2)CCC1 ZINC000662698053 425715811 /nfs/dbraw/zinc/71/58/11/425715811.db2.gz GZLBUDGOSAEJOA-UHFFFAOYSA-N 1 3 319.493 2.432 20 0 DEADHO Cc1cc(NC(=O)[C@H]2C[C@H]([NH3+])C2)ccc1OCCN1CCCC1 ZINC000662734808 425725032 /nfs/dbraw/zinc/72/50/32/425725032.db2.gz CCCVNODGTJAIBR-SHTZXODSSA-N 1 3 317.433 2.145 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc2c1CCNC2 ZINC000662735289 425725568 /nfs/dbraw/zinc/72/55/68/425725568.db2.gz MSWRPODTXRHOKW-INIZCTEOSA-N 1 3 315.461 2.327 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cccc2c1CCNC2 ZINC000662735289 425725570 /nfs/dbraw/zinc/72/55/70/425725570.db2.gz MSWRPODTXRHOKW-INIZCTEOSA-N 1 3 315.461 2.327 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2[NH2+]CCC2(C)C)CN1Cc1ccccc1 ZINC000662748403 425728056 /nfs/dbraw/zinc/72/80/56/425728056.db2.gz SMIOFTNLKWOPPN-DJIMGWMZSA-N 1 3 315.461 2.154 20 0 DEADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000662840058 425745326 /nfs/dbraw/zinc/74/53/26/425745326.db2.gz XFRAWVQQNKKTKX-OVYGPGRDSA-N 1 3 305.466 2.040 20 0 DEADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cc(C(C)(C)N)no1 ZINC000662747369 425729031 /nfs/dbraw/zinc/72/90/31/425729031.db2.gz UYRRAUHXQKIQEO-UHFFFAOYSA-N 1 3 316.405 2.491 20 0 DEADHO [NH3+]CCCN(Cc1ccccc1)C(=O)c1cccc2c1CCNC2 ZINC000662775863 425733243 /nfs/dbraw/zinc/73/32/43/425733243.db2.gz ZFKKFULJJIIBSU-UHFFFAOYSA-N 1 3 323.440 2.324 20 0 DEADHO CC(C)[C@H](N)c1cn(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656468971 425776325 /nfs/dbraw/zinc/77/63/25/425776325.db2.gz XDIZCBYQTBJFKS-AEFFLSMTSA-N 1 3 313.449 2.456 20 0 DEADHO CC(C)[C@H](N)c1cn(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656468971 425776327 /nfs/dbraw/zinc/77/63/27/425776327.db2.gz XDIZCBYQTBJFKS-AEFFLSMTSA-N 1 3 313.449 2.456 20 0 DEADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000662838233 425746410 /nfs/dbraw/zinc/74/64/10/425746410.db2.gz MIISUWZJOHOZPP-VEDBGLOESA-N 1 3 305.466 2.040 20 0 DEADHO C[NH2+]CCc1ccccc1C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000662853517 425750612 /nfs/dbraw/zinc/75/06/12/425750612.db2.gz PLLKOQRCJOVVMB-HNNXBMFYSA-N 1 3 303.450 2.051 20 0 DEADHO CC(C)N1CCN(C2CC[NH+](C[C@@H]3CCC[C@H](O)C3)CC2)CC1 ZINC000660151673 425752222 /nfs/dbraw/zinc/75/22/22/425752222.db2.gz VJXHKCVUICTLOB-MJGOQNOKSA-N 1 3 323.525 2.028 20 0 DEADHO CC(C)[NH+](CCN(C)C(=O)[C@H](C1CC1)N1CCCC1)C(C)C ZINC000354328776 269034774 /nfs/dbraw/zinc/03/47/74/269034774.db2.gz WBEXWNLGMLBKPP-KRWDZBQOSA-N 1 3 309.498 2.438 20 0 DEADHO C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000390780640 269098125 /nfs/dbraw/zinc/09/81/25/269098125.db2.gz QSLWOBYTYGTGBC-KBAYOESNSA-N 1 3 315.461 2.155 20 0 DEADHO COC[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)C1CC1 ZINC000397493113 269106669 /nfs/dbraw/zinc/10/66/69/269106669.db2.gz BHJJFXOBFBJOSR-SFHVURJKSA-N 1 3 318.461 2.028 20 0 DEADHO COC(=O)N1CCC(C[NH2+]C2CCN(C(C)(C)C)CC2)CC1 ZINC000495692372 269168961 /nfs/dbraw/zinc/16/89/61/269168961.db2.gz VYLXCNRHRSQGDK-UHFFFAOYSA-N 1 3 311.470 2.317 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@H](NC[C@H](O)COCc2ccccc2F)C1 ZINC000515234303 269347923 /nfs/dbraw/zinc/34/79/23/269347923.db2.gz FKLGBSCFTREDNQ-BBWFWOEESA-N 1 3 324.440 2.166 20 0 DEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COCc2ccccc2F)C1 ZINC000515234303 269347924 /nfs/dbraw/zinc/34/79/24/269347924.db2.gz FKLGBSCFTREDNQ-BBWFWOEESA-N 1 3 324.440 2.166 20 0 DEADHO C[C@@H]1CN(C(=O)Nc2ccc(C[NH3+])cc2)CCN(C2CCC2)C1 ZINC000517895005 269394159 /nfs/dbraw/zinc/39/41/59/269394159.db2.gz DFIYRNLXLASXDS-AWEZNQCLSA-N 1 3 316.449 2.483 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000346653258 287680638 /nfs/dbraw/zinc/68/06/38/287680638.db2.gz PCKVDRUOOOFRJO-BRWVUGGUSA-N 1 3 307.482 2.336 20 0 DEADHO COc1ccccc1NC(=O)C[C@@H](C)NC[C@]1(C)CCC[NH2+]C1 ZINC000423329659 274161332 /nfs/dbraw/zinc/16/13/32/274161332.db2.gz NABDKJSYKVQWCD-RDTXWAMCSA-N 1 3 319.449 2.392 20 0 DEADHO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@]1(C)CCCNC1 ZINC000423329659 274161333 /nfs/dbraw/zinc/16/13/33/274161333.db2.gz NABDKJSYKVQWCD-RDTXWAMCSA-N 1 3 319.449 2.392 20 0 DEADHO c1n[nH]cc1CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000459498777 275075269 /nfs/dbraw/zinc/07/52/69/275075269.db2.gz LLNHNNCISJHNDD-RBUKOAKNSA-N 1 3 310.445 2.406 20 0 DEADHO c1n[nH]cc1CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000459498777 275075271 /nfs/dbraw/zinc/07/52/71/275075271.db2.gz LLNHNNCISJHNDD-RBUKOAKNSA-N 1 3 310.445 2.406 20 0 DEADHO C(N[C@@H](C1CC1)[C@@H]1CNCCO1)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423094104 275394921 /nfs/dbraw/zinc/39/49/21/275394921.db2.gz JIXUSDBGYJQCGB-QYZOEREBSA-N 1 3 321.509 2.140 20 0 DEADHO C(N[C@@H](C1CC1)[C@@H]1CNCCO1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000423094104 275394922 /nfs/dbraw/zinc/39/49/22/275394922.db2.gz JIXUSDBGYJQCGB-QYZOEREBSA-N 1 3 321.509 2.140 20 0 DEADHO C([NH2+][C@@H](C1CC1)[C@@H]1CNCCO1)[C@H]1CCCN1C1CCCCC1 ZINC000423094104 275394923 /nfs/dbraw/zinc/39/49/23/275394923.db2.gz JIXUSDBGYJQCGB-QYZOEREBSA-N 1 3 321.509 2.140 20 0 DEADHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000083214675 276074864 /nfs/dbraw/zinc/07/48/64/276074864.db2.gz NFYKJESXZBSMBV-CYBMUJFWSA-N 1 3 322.428 2.010 20 0 DEADHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000083214675 276074865 /nfs/dbraw/zinc/07/48/65/276074865.db2.gz NFYKJESXZBSMBV-CYBMUJFWSA-N 1 3 322.428 2.010 20 0 DEADHO CCN(CC)CC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266541337 276321493 /nfs/dbraw/zinc/32/14/93/276321493.db2.gz PHFDVCSJHLRNSO-GOSISDBHSA-N 1 3 317.477 2.309 20 0 DEADHO CCN(CC)CC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266541337 276321496 /nfs/dbraw/zinc/32/14/96/276321496.db2.gz PHFDVCSJHLRNSO-GOSISDBHSA-N 1 3 317.477 2.309 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000348636356 276363310 /nfs/dbraw/zinc/36/33/10/276363310.db2.gz ANUDLJQXKGPWJI-IAGOWNOFSA-N 1 3 322.497 2.131 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175807594 276378760 /nfs/dbraw/zinc/37/87/60/276378760.db2.gz NDZBWEHPEKBOFJ-KRWDZBQOSA-N 1 3 322.497 2.177 20 0 DEADHO COCCOc1cccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000346835560 277234244 /nfs/dbraw/zinc/23/42/44/277234244.db2.gz TYGZGSQWMVNOBS-JQHSSLGASA-N 1 3 304.434 2.271 20 0 DEADHO C[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000152317190 277264866 /nfs/dbraw/zinc/26/48/66/277264866.db2.gz GYFCMPUHDNHJSF-SFHVURJKSA-N 1 3 315.461 2.109 20 0 DEADHO C[NH2+][C@@H]1CCCN(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000418161509 277294373 /nfs/dbraw/zinc/29/43/73/277294373.db2.gz BVQQRMWSFGJXFW-USXIJHARSA-N 1 3 318.465 2.071 20 0 DEADHO CO[C@H]1CCN(Cc2ccccc2C[N@@H+]2CC[C@H](OC)C2)C1 ZINC000267819911 277340757 /nfs/dbraw/zinc/34/07/57/277340757.db2.gz ONGZDOHHMDYQBD-ROUUACIJSA-N 1 3 304.434 2.128 20 0 DEADHO CO[C@H]1CCN(Cc2ccccc2C[N@H+]2CC[C@H](OC)C2)C1 ZINC000267819911 277340759 /nfs/dbraw/zinc/34/07/59/277340759.db2.gz ONGZDOHHMDYQBD-ROUUACIJSA-N 1 3 304.434 2.128 20 0 DEADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C[C@@H](N)c1ccccc1 ZINC000423761421 278161599 /nfs/dbraw/zinc/16/15/99/278161599.db2.gz OQUSNZBUMQEIHW-RHSMWYFYSA-N 1 3 303.450 2.265 20 0 DEADHO C[C@H]1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000237550781 278361016 /nfs/dbraw/zinc/36/10/16/278361016.db2.gz VFQWEOBCOVVHQL-LPHOPBHVSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000417023152 279104625 /nfs/dbraw/zinc/10/46/25/279104625.db2.gz VOQHHHBFUPYYOZ-LSDHHAIUSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000417023152 279104626 /nfs/dbraw/zinc/10/46/26/279104626.db2.gz VOQHHHBFUPYYOZ-LSDHHAIUSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCOCC(F)(F)C(F)F ZINC000447598104 288106484 /nfs/dbraw/zinc/10/64/84/288106484.db2.gz HNMYVNVWJIELNL-GMTAPVOTSA-N 1 3 300.340 2.222 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCOCC(F)(F)C(F)F ZINC000447598104 288106485 /nfs/dbraw/zinc/10/64/85/288106485.db2.gz HNMYVNVWJIELNL-GMTAPVOTSA-N 1 3 300.340 2.222 20 0 DEADHO CC(C)N(C(=O)CN1CCC([C@H]2CC[NH2+]C2)CC1)C1CCCC1 ZINC000357078635 279276968 /nfs/dbraw/zinc/27/69/68/279276968.db2.gz LQPXIPNVEFLNBD-KRWDZBQOSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000357970632 279367596 /nfs/dbraw/zinc/36/75/96/279367596.db2.gz GDAWAEMGSRTLSC-HZPDHXFCSA-N 1 3 312.502 2.135 20 0 DEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000357970632 279367598 /nfs/dbraw/zinc/36/75/98/279367598.db2.gz GDAWAEMGSRTLSC-HZPDHXFCSA-N 1 3 312.502 2.135 20 0 DEADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H](O)C(C)(C)C)CC2)C[C@H](C)O1 ZINC000340286688 288153038 /nfs/dbraw/zinc/15/30/38/288153038.db2.gz TZBKUBCUWNWGFB-HLLBOEOZSA-N 1 3 312.498 2.215 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCCCC1 ZINC000449702540 280148671 /nfs/dbraw/zinc/14/86/71/280148671.db2.gz SGKFAPDBRTUUJA-FGTMMUONSA-N 1 3 321.509 2.345 20 0 DEADHO Cc1ccc([C@H](CNC(=O)NC(C)(C)CCC[NH3+])N(C)C)cc1 ZINC000417312397 280984607 /nfs/dbraw/zinc/98/46/07/280984607.db2.gz NPEUHTHIVKMQSO-INIZCTEOSA-N 1 3 320.481 2.414 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000079293462 281589155 /nfs/dbraw/zinc/58/91/55/281589155.db2.gz ZABJYZSDNHOZKE-SJORKVTESA-N 1 3 322.497 2.131 20 0 DEADHO CN(C)C(=O)[C@@H](c1ccccc1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420334999 281971119 /nfs/dbraw/zinc/97/11/19/281971119.db2.gz HAMSAZDKBOHTJD-ZWKOTPCHSA-N 1 3 315.461 2.280 20 0 DEADHO CN(C)C(=O)[C@H](c1ccccc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420331937 289015674 /nfs/dbraw/zinc/01/56/74/289015674.db2.gz CHQAPCSJHBGUCU-KSZLIROESA-N 1 3 315.461 2.137 20 0 DEADHO C[NH+](C)C1CCC(NC(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000420908424 289064371 /nfs/dbraw/zinc/06/43/71/289064371.db2.gz UNVIGPLOIVUCLX-OFLPRAFFSA-N 1 3 322.497 2.129 20 0 DEADHO C[NH+](C)C1CCC(NC(=O)NCCN2CCCC(C)(C)C2)CC1 ZINC000422245104 289065395 /nfs/dbraw/zinc/06/53/95/289065395.db2.gz OPVSRYYOHUHSFH-UHFFFAOYSA-N 1 3 324.513 2.280 20 0 DEADHO CN(C)CCOc1ccc(NC(=O)C2(C[NH3+])CCCC2)cc1 ZINC000237196369 289171541 /nfs/dbraw/zinc/17/15/41/289171541.db2.gz QQBLMLNPQHPYFA-UHFFFAOYSA-N 1 3 305.422 2.085 20 0 DEADHO C[C@H](C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)N1CCCCCC1 ZINC000353439629 289262551 /nfs/dbraw/zinc/26/25/51/289262551.db2.gz XPBVVLXBEJVYML-WBVHZDCISA-N 1 3 307.482 2.099 20 0 DEADHO C[NH+](C)[C@@H](CC(=O)NCCN1CCCCC1)c1ccccc1 ZINC000431723277 289275072 /nfs/dbraw/zinc/27/50/72/289275072.db2.gz JBNZTQYVNUMKEP-KRWDZBQOSA-N 1 3 303.450 2.282 20 0 DEADHO CN(C)[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000368751967 289278612 /nfs/dbraw/zinc/27/86/12/289278612.db2.gz WJSIZBUQSYBGQC-WBVHZDCISA-N 1 3 303.450 2.185 20 0 DEADHO C[C@H](C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)N1CCCCCC1 ZINC000357796606 289359232 /nfs/dbraw/zinc/35/92/32/289359232.db2.gz POZIDGIYTNURKS-IXDOHACOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)N1CCCCCC1 ZINC000357796606 289359233 /nfs/dbraw/zinc/35/92/33/289359233.db2.gz POZIDGIYTNURKS-IXDOHACOSA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)[C@H](CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)c1ccccc1 ZINC000262354186 289362867 /nfs/dbraw/zinc/36/28/67/289362867.db2.gz JLWYFNJYIDYDEE-YQVWRLOYSA-N 1 3 315.461 2.185 20 0 DEADHO COc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1NC(C)=O ZINC000422840124 533692577 /nfs/dbraw/zinc/69/25/77/533692577.db2.gz BBKSAYNNSCUBLC-LSDHHAIUSA-N 1 3 305.422 2.261 20 0 DEADHO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CC[C@H]2CCCN2C)C[C@H](C)O1 ZINC000247451759 297018770 /nfs/dbraw/zinc/01/87/70/297018770.db2.gz ZOGSDALCLXPRQQ-XDNAFOTISA-N 1 3 309.498 2.044 20 0 DEADHO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2CC[C@H]2CCCN2C)C[C@H](C)O1 ZINC000247451759 297018772 /nfs/dbraw/zinc/01/87/72/297018772.db2.gz ZOGSDALCLXPRQQ-XDNAFOTISA-N 1 3 309.498 2.044 20 0 DEADHO C[C@@H]1CN(C[C@@H]2CCCN2CC[C@H]2CCC[N@@H+]2C)C[C@H](C)O1 ZINC000247451759 297018775 /nfs/dbraw/zinc/01/87/75/297018775.db2.gz ZOGSDALCLXPRQQ-XDNAFOTISA-N 1 3 309.498 2.044 20 0 DEADHO C[C@@H]1CN(C[C@@H]2CCCN2CC[C@H]2CCC[N@H+]2C)C[C@H](C)O1 ZINC000247451759 297018778 /nfs/dbraw/zinc/01/87/78/297018778.db2.gz ZOGSDALCLXPRQQ-XDNAFOTISA-N 1 3 309.498 2.044 20 0 DEADHO CC[C@@H](F)C[NH+]1CCC([C@@H](C)NC(=O)CN(C)C(C)C)CC1 ZINC001423655906 1173470224 /nfs/dbraw/zinc/47/02/24/1173470224.db2.gz OWTRLHOGUUXNIG-GDBMZVCRSA-N 1 3 315.477 2.291 20 0 DEADHO O=C(CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)N1CCCCCC1 ZINC000422849529 295476015 /nfs/dbraw/zinc/47/60/15/295476015.db2.gz UYKQTKZZIKIJKO-ZACQAIPSSA-N 1 3 307.482 2.289 20 0 DEADHO C[C@H](C1CC1)N(C(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)C1CC1 ZINC000420323683 298249518 /nfs/dbraw/zinc/24/95/18/298249518.db2.gz GSUFORQNFREIBE-HYVNUMGLSA-N 1 3 319.493 2.097 20 0 DEADHO C[C@H](CC(=O)N[C@H](CN(C)C)c1ccccc1)C1CC[NH2+]CC1 ZINC000163870589 298307518 /nfs/dbraw/zinc/30/75/18/298307518.db2.gz FVDJERPVMVTYHT-CRAIPNDOSA-N 1 3 317.477 2.431 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000418169079 298396348 /nfs/dbraw/zinc/39/63/48/298396348.db2.gz MDTUZJCQPNXDMK-MRXNPFEDSA-N 1 3 324.513 2.459 20 0 DEADHO O=C(NCCC[C@@H]1CCC[NH2+]1)N1CCC[C@@H]1CN1CCCCC1 ZINC000418752512 303770191 /nfs/dbraw/zinc/77/01/91/303770191.db2.gz TUQLAOICYYVGGP-DLBZAZTESA-N 1 3 322.497 2.179 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1ccc2c(c1)OCO2 ZINC000572474057 325937614 /nfs/dbraw/zinc/93/76/14/325937614.db2.gz JMONDPXTIDBTFX-GFCCVEGCSA-N 1 3 313.401 2.471 20 0 DEADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2)C1 ZINC000573479437 326061541 /nfs/dbraw/zinc/06/15/41/326061541.db2.gz XJGNJMBRVRPNOS-DLBZAZTESA-N 1 3 306.450 2.136 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](NCc2cccc(CN3CCCC3=O)c2)C1 ZINC000573981042 326112094 /nfs/dbraw/zinc/11/20/94/326112094.db2.gz ICNARVSBGIKJAX-SJORKVTESA-N 1 3 301.434 2.169 20 0 DEADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)COc2cc(C)ccc2C)C1 ZINC000574632139 326172256 /nfs/dbraw/zinc/17/22/56/326172256.db2.gz OMQOZQSMVCZBIN-QZTJIDSGSA-N 1 3 320.477 2.365 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000574915565 326200632 /nfs/dbraw/zinc/20/06/32/326200632.db2.gz ITOBSSRAYDBCGV-MSOLQXFVSA-N 1 3 315.461 2.210 20 0 DEADHO Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@@]3(C2)CCCN(C)C3)c1 ZINC000575861342 326251430 /nfs/dbraw/zinc/25/14/30/326251430.db2.gz XMZAIPKLDWYXSL-SFHVURJKSA-N 1 3 316.449 2.403 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000576104516 326269395 /nfs/dbraw/zinc/26/93/95/326269395.db2.gz OHYXFLFNTHNXLD-SJORKVTESA-N 1 3 303.450 2.457 20 0 DEADHO COc1cc(C)ccc1C[NH2+]CCCCN1CCN(C)CC1 ZINC000584033991 331645129 /nfs/dbraw/zinc/64/51/29/331645129.db2.gz ATOBIDWYKNCFAM-UHFFFAOYSA-N 1 3 305.466 2.121 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000584288474 332215492 /nfs/dbraw/zinc/21/54/92/332215492.db2.gz OLYICKBZESKTRW-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000378959539 333067540 /nfs/dbraw/zinc/06/75/40/333067540.db2.gz PBRXQUQZMRVYPE-NTZUZEMLSA-N 1 3 300.446 2.400 20 0 DEADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)COc2cccc(C)c2)C1 ZINC000582959511 337218749 /nfs/dbraw/zinc/21/87/49/337218749.db2.gz CSLDHFGZAWZUFR-SJORKVTESA-N 1 3 306.450 2.056 20 0 DEADHO CC[NH+]1CCC(NC[C@H](O)COc2cc(C)ccc2C)CC1 ZINC000395710546 337227099 /nfs/dbraw/zinc/22/70/99/337227099.db2.gz GLJUAFQRBSFISD-KRWDZBQOSA-N 1 3 306.450 2.117 20 0 DEADHO Cc1ncc2c(n1)CC[C@H](N[C@@H](Cc1ccccc1)[C@H](C)[NH3+])C2 ZINC000583198202 337267878 /nfs/dbraw/zinc/26/78/78/337267878.db2.gz RNQAVGVROYOUDH-IXDGSTSKSA-N 1 3 310.445 2.190 20 0 DEADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](O)COc2cc(C)cc(C)c2)C1 ZINC000584585440 337369323 /nfs/dbraw/zinc/36/93/23/337369323.db2.gz DVDVSIUKZNBZIP-ZWKOTPCHSA-N 1 3 320.477 2.365 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CCC[N@@H+](CCCF)C1)N1CCCC1 ZINC001376531521 1159516126 /nfs/dbraw/zinc/51/61/26/1159516126.db2.gz MAPWVIODVVBHDH-HNNXBMFYSA-N 1 3 313.461 2.049 20 0 DEADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccccc1C ZINC001378252680 1152254602 /nfs/dbraw/zinc/25/46/02/1152254602.db2.gz LSKMWISFACDDBB-KRWDZBQOSA-N 1 3 317.477 2.464 20 0 DEADHO CC[C@@H](C(=O)NC1(C[NH2+]CC[C@H](C)F)CCCCC1)N(C)C ZINC001329861689 1149005127 /nfs/dbraw/zinc/00/51/27/1149005127.db2.gz VJOYODJVXMMVLB-GJZGRUSLSA-N 1 3 315.477 2.483 20 0 DEADHO CN1CCC[C@H]1C(=O)NCCC1CC[NH+](C/C=C\Cl)CC1 ZINC001378472213 1152341748 /nfs/dbraw/zinc/34/17/48/1152341748.db2.gz PPXZCDKKFOURJW-VOGXCRAGSA-N 1 3 313.873 2.051 20 0 DEADHO CCc1ccccc1CN1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001378561377 1152377110 /nfs/dbraw/zinc/37/71/10/1152377110.db2.gz QSGNGLPLGCFBET-HNNXBMFYSA-N 1 3 317.477 2.137 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001398690662 1161059422 /nfs/dbraw/zinc/05/94/22/1161059422.db2.gz NXYOHELSFIOJKC-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001398690662 1161059439 /nfs/dbraw/zinc/05/94/39/1161059439.db2.gz NXYOHELSFIOJKC-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](C[NH+](C)C)NC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418205845 533732897 /nfs/dbraw/zinc/73/28/97/533732897.db2.gz NPNIGFLCRCEIAL-SUMWQHHRSA-N 1 3 314.433 2.089 20 0 DEADHO C[C@@H](CN(C)C)NC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418205845 533732905 /nfs/dbraw/zinc/73/29/05/533732905.db2.gz NPNIGFLCRCEIAL-SUMWQHHRSA-N 1 3 314.433 2.089 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCC(C)C)[NH+](CC)CC ZINC001400599490 1161780475 /nfs/dbraw/zinc/78/04/75/1161780475.db2.gz UEXCVNQKHQWUPS-ULQDDVLXSA-N 1 3 309.498 2.438 20 0 DEADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C[C@H](N)c1ccccc1 ZINC000448225302 533827941 /nfs/dbraw/zinc/82/79/41/533827941.db2.gz MLCRPRWVXCOVJF-UXLLHSPISA-N 1 3 303.450 2.456 20 0 DEADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C[C@H](N)c1ccccc1 ZINC000448225302 533827947 /nfs/dbraw/zinc/82/79/47/533827947.db2.gz MLCRPRWVXCOVJF-UXLLHSPISA-N 1 3 303.450 2.456 20 0 DEADHO C[C@H](CCCC[NH3+])NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000422932239 533845175 /nfs/dbraw/zinc/84/51/75/533845175.db2.gz FFXXDPADDXPBRM-GFCCVEGCSA-N 1 3 318.870 2.221 20 0 DEADHO C[C@@H]1CCNC[C@H]1[NH2+]C[C@H]1CSCCN1Cc1ccccc1 ZINC000423073772 534102868 /nfs/dbraw/zinc/10/28/68/534102868.db2.gz JRVHWPALNDGAFM-BPQIPLTHSA-N 1 3 319.518 2.192 20 0 DEADHO COC(=O)c1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000422999442 534148041 /nfs/dbraw/zinc/14/80/41/534148041.db2.gz FBQPKWDJEKSLLH-ZFWWWQNUSA-N 1 3 306.406 2.089 20 0 DEADHO Cc1cc(C[NH+](C)C)cc(N[C@@H](C2CC2)[C@H]2CNCCO2)c1 ZINC000423028149 534165666 /nfs/dbraw/zinc/16/56/66/534165666.db2.gz QFWOPHMKQPAGRR-MSOLQXFVSA-N 1 3 303.450 2.236 20 0 DEADHO FC(F)(F)CN1CCC(C[NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000188505483 534386618 /nfs/dbraw/zinc/38/66/18/534386618.db2.gz KSZOQZYKGKQFIU-CABCVRRESA-N 1 3 319.415 2.477 20 0 DEADHO C[C@@H]1CN(C(=O)c2ccc(Nc3ccncc3)cc2)C[C@H](C)[NH2+]1 ZINC000429367278 534420268 /nfs/dbraw/zinc/42/02/68/534420268.db2.gz NGHGJFCLWZJEPN-OKILXGFUSA-N 1 3 310.401 2.070 20 0 DEADHO O[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)Cc1ccccc1 ZINC000298166805 534427834 /nfs/dbraw/zinc/42/78/34/534427834.db2.gz TVDISKPZNSIEEI-IBGZPJMESA-N 1 3 311.429 2.244 20 0 DEADHO CCC[NH+]1CCC(NC(=O)NC[C@H]2CCCCN2CC)CC1 ZINC000111439819 519845643 /nfs/dbraw/zinc/84/56/43/519845643.db2.gz TXTVCHNDCCNDTB-MRXNPFEDSA-N 1 3 310.486 2.034 20 0 DEADHO Fc1ccc(OCCCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422783840 534484307 /nfs/dbraw/zinc/48/43/07/534484307.db2.gz OUIACJLRKRQAGE-RCCFBDPRSA-N 1 3 322.424 2.341 20 0 DEADHO CC[NH+](CC)CCCNC(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000337369574 520615048 /nfs/dbraw/zinc/61/50/48/520615048.db2.gz OJWJRAHFFNEMCV-JKSUJKDBSA-N 1 3 312.502 2.280 20 0 DEADHO CCN1CCC(NC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000339350069 521575231 /nfs/dbraw/zinc/57/52/31/521575231.db2.gz WGWNNSCFCWOOLY-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO CCN1CCC(NC(=O)NCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000339350069 521575242 /nfs/dbraw/zinc/57/52/42/521575242.db2.gz WGWNNSCFCWOOLY-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]CCCn2ccnc2C)[C@@H](C)C1 ZINC000338009031 521708035 /nfs/dbraw/zinc/70/80/35/521708035.db2.gz AXCKZSYWBWGHNR-WMZOPIPTSA-N 1 3 322.497 2.308 20 0 DEADHO Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N ZINC000422757041 534684374 /nfs/dbraw/zinc/68/43/74/534684374.db2.gz MJHMZNLVIVVDBZ-VNQPRFMTSA-N 1 3 316.449 2.077 20 0 DEADHO CCc1ccc([C@H](CNC(=O)CC2CC[NH2+]CC2)N(C)C)cc1 ZINC000163601515 524048653 /nfs/dbraw/zinc/04/86/53/524048653.db2.gz ORGGHUSLQOYESL-SFHVURJKSA-N 1 3 317.477 2.358 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000337368389 524226307 /nfs/dbraw/zinc/22/63/07/524226307.db2.gz NLXANBGDHWOCIK-MRXNPFEDSA-N 1 3 324.513 2.282 20 0 DEADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)N[C@H]1CC[NH2+]C1 ZINC000422731184 526696804 /nfs/dbraw/zinc/69/68/04/526696804.db2.gz NBOHJXKCZYZCCT-ROUUACIJSA-N 1 3 301.478 2.411 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H](N)c1ccccc1 ZINC000417830303 527523881 /nfs/dbraw/zinc/52/38/81/527523881.db2.gz JDUCLERQYFPTOW-BMFZPTHFSA-N 1 3 303.450 2.346 20 0 DEADHO CC(C)(C(=O)N[C@H](CC[NH3+])C(F)(F)F)[C@H](N)c1ccccc1 ZINC000417826968 527533762 /nfs/dbraw/zinc/53/37/62/527533762.db2.gz FBCMBLRKZBSPRN-VXGBXAGGSA-N 1 3 317.355 2.109 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418586617 527664418 /nfs/dbraw/zinc/66/44/18/527664418.db2.gz QJJHFQYIQLRQPQ-LSDHHAIUSA-N 1 3 310.486 2.020 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCCN1CCCCC1 ZINC000439144102 527965066 /nfs/dbraw/zinc/96/50/66/527965066.db2.gz WGTSWHYTNBINIW-QGZVFWFLSA-N 1 3 324.513 2.282 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NCCN1CCCCC1 ZINC000439144102 527965069 /nfs/dbraw/zinc/96/50/69/527965069.db2.gz WGTSWHYTNBINIW-QGZVFWFLSA-N 1 3 324.513 2.282 20 0 DEADHO CCCN1CCC([NH2+]Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417965595 528204088 /nfs/dbraw/zinc/20/40/88/528204088.db2.gz MJYKOAHPUFWXIA-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](C)CC[NH3+] ZINC000418035336 528440318 /nfs/dbraw/zinc/44/03/18/528440318.db2.gz PDHPWLHJHRLYRR-DOTOQJQBSA-N 1 3 320.481 2.180 20 0 DEADHO CC(C)[C@@H](N)C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000427923652 528497492 /nfs/dbraw/zinc/49/74/92/528497492.db2.gz GNJPIFWNAVHCFP-KBAYOESNSA-N 1 3 317.477 2.387 20 0 DEADHO CC(C)[C@@H](N)C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000427923652 528497500 /nfs/dbraw/zinc/49/75/00/528497500.db2.gz GNJPIFWNAVHCFP-KBAYOESNSA-N 1 3 317.477 2.387 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000294726653 528553743 /nfs/dbraw/zinc/55/37/43/528553743.db2.gz IOJLLAQBHYFXFU-KGLIPLIRSA-N 1 3 309.479 2.389 20 0 DEADHO CCOc1cccc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422992485 528643088 /nfs/dbraw/zinc/64/30/88/528643088.db2.gz CRKMCCWKYSVAQP-GUDVDZBRSA-N 1 3 318.461 2.375 20 0 DEADHO CCC[C@@H](C)C(=O)NCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297375333 528864281 /nfs/dbraw/zinc/86/42/81/528864281.db2.gz IBIXPAJOFHQNIG-OAHLLOKOSA-N 1 3 318.465 2.192 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C)[NH+](C)C ZINC000294601011 529283829 /nfs/dbraw/zinc/28/38/29/529283829.db2.gz XMQJQFWTSVBVEY-HOTGVXAUSA-N 1 3 323.506 2.468 20 0 DEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@@H](C)NC[C@@H]2C)C1 ZINC000417590250 529297003 /nfs/dbraw/zinc/29/70/03/529297003.db2.gz WFEDPMWERRQKSM-OWCLPIDISA-N 1 3 324.513 2.279 20 0 DEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@@H](C)NC[C@@H]2C)C1 ZINC000417590250 529297004 /nfs/dbraw/zinc/29/70/04/529297004.db2.gz WFEDPMWERRQKSM-OWCLPIDISA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N[C@H](C)C1=CCN(C)CC1)C(C)C ZINC000358109229 535054814 /nfs/dbraw/zinc/05/48/14/535054814.db2.gz XMKZKGVSNZUWDB-MRXNPFEDSA-N 1 3 324.513 2.445 20 0 DEADHO CCC(CC)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C)N1CCOCC1 ZINC000192646644 535108694 /nfs/dbraw/zinc/10/86/94/535108694.db2.gz UANPYGPBLJTYMQ-XVLXNVKGSA-N 1 3 323.525 2.338 20 0 DEADHO CCC(CC)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCOCC1 ZINC000192646644 535108697 /nfs/dbraw/zinc/10/86/97/535108697.db2.gz UANPYGPBLJTYMQ-XVLXNVKGSA-N 1 3 323.525 2.338 20 0 DEADHO CCC(CC)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCOCC1 ZINC000192646644 535108701 /nfs/dbraw/zinc/10/87/01/535108701.db2.gz UANPYGPBLJTYMQ-XVLXNVKGSA-N 1 3 323.525 2.338 20 0 DEADHO CC(C)N1CCN(CCC[N@H+](CCCO)CC(C)(C)C)CC1 ZINC000191487820 535199114 /nfs/dbraw/zinc/19/91/14/535199114.db2.gz FBVNYBKWSDDZOQ-UHFFFAOYSA-N 1 3 313.530 2.133 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+](CCCO)CC(C)(C)C)CC1 ZINC000191487820 535199119 /nfs/dbraw/zinc/19/91/19/535199119.db2.gz FBVNYBKWSDDZOQ-UHFFFAOYSA-N 1 3 313.530 2.133 20 0 DEADHO CCN1CCC[C@@H]1CN(C)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262398159 535544819 /nfs/dbraw/zinc/54/48/19/535544819.db2.gz ZKHSUHLBEIAPCD-QSFKDOLUSA-N 1 3 307.482 2.083 20 0 DEADHO CCN1CCC[C@H]1CN(C)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262398167 535585082 /nfs/dbraw/zinc/58/50/82/535585082.db2.gz ZKHSUHLBEIAPCD-YKDOHLLJSA-N 1 3 307.482 2.083 20 0 DEADHO CC[C@@H]1CC[C@H]1[NH2+][C@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000348371118 535824991 /nfs/dbraw/zinc/82/49/91/535824991.db2.gz FEAIVLYIVJQAQI-KZNAEPCWSA-N 1 3 317.477 2.054 20 0 DEADHO CN(C)CCN1CCC([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348260640 535872335 /nfs/dbraw/zinc/87/23/35/535872335.db2.gz CWERZUNDSDOGHR-PKOBYXMFSA-N 1 3 301.478 2.406 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000372506570 535977453 /nfs/dbraw/zinc/97/74/53/535977453.db2.gz WXHGKCPMPUDQAU-ZDUSSCGKSA-N 1 3 315.417 2.366 20 0 DEADHO C[NH+]1CCC(CC(=O)N2CCN(CC3CCCCC3)CC2)CC1 ZINC000362734316 536335963 /nfs/dbraw/zinc/33/59/63/536335963.db2.gz MNGUAICAZWUNCU-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO COC1(CN2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CCCC1 ZINC000361558445 536626676 /nfs/dbraw/zinc/62/66/76/536626676.db2.gz WWTGTAHVCUQHLA-ROUUACIJSA-N 1 3 323.525 2.436 20 0 DEADHO COc1cc(CN2CCC[C@@H](CC[NH3+])C2)cc(OC)c1OC ZINC000261978829 536750692 /nfs/dbraw/zinc/75/06/92/536750692.db2.gz QZRDGMXYEOYOAM-ZDUSSCGKSA-N 1 3 308.422 2.273 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCC2CCCC2)C[C@H]1C ZINC001425911502 1174509346 /nfs/dbraw/zinc/50/93/46/1174509346.db2.gz KKNYVOLEQHKTST-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(F)cc1)C(C)C)N(C)C ZINC001379005385 1152526571 /nfs/dbraw/zinc/52/65/71/1152526571.db2.gz ZXKVUFNOCHUGAN-SJORKVTESA-N 1 3 323.456 2.396 20 0 DEADHO CCC[NH+]1CCC(C)(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001402212818 1162291445 /nfs/dbraw/zinc/29/14/45/1162291445.db2.gz YPAREEANWBUXOJ-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+][C@H]2CCC[C@@H]2CCO)CC1 ZINC001414145218 1152573357 /nfs/dbraw/zinc/57/33/57/1152573357.db2.gz LAWMYDZSTCOTLP-ZLZJIPBDSA-N 1 3 310.482 2.161 20 0 DEADHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccc(F)cc1 ZINC001368737857 1148628826 /nfs/dbraw/zinc/62/88/26/1148628826.db2.gz TVMZQCQKAWXIEW-GJZGRUSLSA-N 1 3 321.440 2.152 20 0 DEADHO CCN(CC[NH2+][C@@H](C)c1cccc(F)c1)C(=O)CN1CCCC1 ZINC001379324792 1152608996 /nfs/dbraw/zinc/60/89/96/1152608996.db2.gz GHWXEOPNMHFYRL-HNNXBMFYSA-N 1 3 321.440 2.421 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001379322208 1152608737 /nfs/dbraw/zinc/60/87/37/1152608737.db2.gz KMHLNJVIRNTKOS-AWEZNQCLSA-N 1 3 309.429 2.102 20 0 DEADHO Cc1cc(C[NH2+]C[C@H](C)NC(=O)CN2CC[C@@H](C)C2)c(C)s1 ZINC001379549777 1152640515 /nfs/dbraw/zinc/64/05/15/1152640515.db2.gz FIDZMXNWNZZYEN-OLZOCXBDSA-N 1 3 323.506 2.301 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001023632960 625364309 /nfs/dbraw/zinc/36/43/09/625364309.db2.gz SDQVQQNPXZQJBW-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001023632960 625364311 /nfs/dbraw/zinc/36/43/11/625364311.db2.gz SDQVQQNPXZQJBW-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@@H]12 ZINC001026424972 625449189 /nfs/dbraw/zinc/44/91/89/625449189.db2.gz ALPBWBZKZHYYJG-KBAYOESNSA-N 1 3 315.461 2.208 20 0 DEADHO CC(=O)OC[C@@H](C)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000892741206 625526856 /nfs/dbraw/zinc/52/68/56/625526856.db2.gz RLRHHQSNOKFOAJ-QAPCUYQASA-N 1 3 304.434 2.440 20 0 DEADHO CC(=O)OC[C@@H](C)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000892741206 625526861 /nfs/dbraw/zinc/52/68/61/625526861.db2.gz RLRHHQSNOKFOAJ-QAPCUYQASA-N 1 3 304.434 2.440 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000931133379 625557342 /nfs/dbraw/zinc/55/73/42/625557342.db2.gz BNVLEDMCPTXXRZ-QGZVFWFLSA-N 1 3 303.450 2.454 20 0 DEADHO CC(C)C[C@@H](N)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309756689 625557996 /nfs/dbraw/zinc/55/79/96/625557996.db2.gz CDTCBKIYYKSLMA-CGTJXYLNSA-N 1 3 317.477 2.387 20 0 DEADHO CC(C)C[C@@H](N)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309756689 625558003 /nfs/dbraw/zinc/55/80/03/625558003.db2.gz CDTCBKIYYKSLMA-CGTJXYLNSA-N 1 3 317.477 2.387 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCC2CC2)C1 ZINC000969649756 622863385 /nfs/dbraw/zinc/86/33/85/622863385.db2.gz PREABCYBJLWAOK-WMLDXEAASA-N 1 3 307.482 2.096 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)c1 ZINC001020585359 622925089 /nfs/dbraw/zinc/92/50/89/622925089.db2.gz SXQNHUSNJMUWCX-KBAYOESNSA-N 1 3 315.461 2.216 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001020588528 622927011 /nfs/dbraw/zinc/92/70/11/622927011.db2.gz DTHMZMUGBVZHCS-WBAXXEDZSA-N 1 3 315.461 2.074 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001020586743 622927689 /nfs/dbraw/zinc/92/76/89/622927689.db2.gz XXELFEJJMPKDPC-JQFCIGGWSA-N 1 3 319.424 2.047 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001020590169 622929416 /nfs/dbraw/zinc/92/94/16/622929416.db2.gz OCLRBWYTJUJKTC-FVQBIDKESA-N 1 3 307.482 2.001 20 0 DEADHO CC1(C)CC(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001020591170 622930608 /nfs/dbraw/zinc/93/06/08/622930608.db2.gz GHWIUDNZEZFOHD-WKILWMFISA-N 1 3 321.509 2.391 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC000969985958 623039146 /nfs/dbraw/zinc/03/91/46/623039146.db2.gz PFRWXKHDCJDIBY-CVEARBPZSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(CF)cc2)C1)N(C)C ZINC000969989278 623040933 /nfs/dbraw/zinc/04/09/33/623040933.db2.gz KRPKVVKXJGEYFY-SJORKVTESA-N 1 3 321.440 2.187 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH2+]CC2CCC2)C1)N(C)C ZINC001024139762 625621020 /nfs/dbraw/zinc/62/10/20/625621020.db2.gz NQWMMOCRFSRYOF-DLBZAZTESA-N 1 3 309.498 2.201 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC ZINC001021274429 623462562 /nfs/dbraw/zinc/46/25/62/623462562.db2.gz XUIYYUKPGQDDAN-HMQMGEFJSA-N 1 3 307.482 2.382 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC ZINC001021274429 623462564 /nfs/dbraw/zinc/46/25/64/623462564.db2.gz XUIYYUKPGQDDAN-HMQMGEFJSA-N 1 3 307.482 2.382 20 0 DEADHO CCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC000970529875 623523561 /nfs/dbraw/zinc/52/35/61/623523561.db2.gz UTXXDQLZJLUSNS-DOTOQJQBSA-N 1 3 309.498 2.486 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]([NH2+]CCC3CC3)C2)c1 ZINC000970786638 623682215 /nfs/dbraw/zinc/68/22/15/623682215.db2.gz WYXCESLYHRWCDI-GOSISDBHSA-N 1 3 315.461 2.352 20 0 DEADHO CCC[NH+]1CCC(CNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC000118883289 623697955 /nfs/dbraw/zinc/69/79/55/623697955.db2.gz IMUJJFUETHARBR-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1cccc(CN(CCN(C)C)C(=O)NCCC(C)(C)[NH3+])c1 ZINC000892859281 625673413 /nfs/dbraw/zinc/67/34/13/625673413.db2.gz VJKOYNMMLQIMHU-UHFFFAOYSA-N 1 3 320.481 2.196 20 0 DEADHO Cc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c1 ZINC001026726141 625686381 /nfs/dbraw/zinc/68/63/81/625686381.db2.gz RCTUTTCODRVZNK-ROUUACIJSA-N 1 3 315.461 2.027 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC2CCCCC2)C1 ZINC000971200820 624068412 /nfs/dbraw/zinc/06/84/12/624068412.db2.gz JHOLLQBCSVIQDP-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC2CCCCC2)C1 ZINC000971200820 624068413 /nfs/dbraw/zinc/06/84/13/624068413.db2.gz JHOLLQBCSVIQDP-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO C[NH+]1CCC(CN2CCN(CCc3cccs3)CC2)CC1 ZINC000891630392 624503820 /nfs/dbraw/zinc/50/38/20/624503820.db2.gz HAZUCCKJYKBZNZ-UHFFFAOYSA-N 1 3 307.507 2.250 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CC2CC3(CCC3)C2)C1)N(C)C ZINC000971779514 624546190 /nfs/dbraw/zinc/54/61/90/624546190.db2.gz SORXITWSELURRU-DLBZAZTESA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC2CC3(CCC3)C2)C1)N(C)C ZINC000971779514 624546195 /nfs/dbraw/zinc/54/61/95/624546195.db2.gz SORXITWSELURRU-DLBZAZTESA-N 1 3 321.509 2.440 20 0 DEADHO CC1(C)C[NH2+]CC[C@H](NC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000891857766 624632626 /nfs/dbraw/zinc/63/26/26/624632626.db2.gz FSSDUSHNGCKNNR-GOEBONIOSA-N 1 3 322.497 2.081 20 0 DEADHO C[C@@H](NC(=O)NCCC(C)(C)[NH3+])[C@H](c1ccccc1)N(C)C ZINC000891894297 624649474 /nfs/dbraw/zinc/64/94/74/624649474.db2.gz FJSIQVGQQJTHEH-UKRRQHHQSA-N 1 3 306.454 2.104 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001022712740 624865343 /nfs/dbraw/zinc/86/53/43/624865343.db2.gz YQMZIDCUBJVBSW-BHYGNILZSA-N 1 3 307.482 2.288 20 0 DEADHO Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@@H](C)C3)C2)cs1 ZINC001022717056 624870072 /nfs/dbraw/zinc/87/00/72/624870072.db2.gz OHQMRSZOFVAYBF-WQVCFCJDSA-N 1 3 321.490 2.135 20 0 DEADHO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972335332 624933084 /nfs/dbraw/zinc/93/30/84/624933084.db2.gz OOPNLMBIGVWNSZ-RHSMWYFYSA-N 1 3 313.461 2.140 20 0 DEADHO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972335332 624933087 /nfs/dbraw/zinc/93/30/87/624933087.db2.gz OOPNLMBIGVWNSZ-RHSMWYFYSA-N 1 3 313.461 2.140 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([N@H+](C)CC3CCCC3)C2)C1 ZINC000972336485 624933526 /nfs/dbraw/zinc/93/35/26/624933526.db2.gz XQBJKULEHOCSKH-WBVHZDCISA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CC3CCCC3)C2)C1 ZINC000972336485 624933530 /nfs/dbraw/zinc/93/35/30/624933530.db2.gz XQBJKULEHOCSKH-WBVHZDCISA-N 1 3 307.482 2.051 20 0 DEADHO CN1CC[C@]2(CC[N@H+](C[C@H](O)COc3ccc(Cl)cc3)C2)C1 ZINC000292047052 625025931 /nfs/dbraw/zinc/02/59/31/625025931.db2.gz BDDVCSYLFKQYIV-RDJZCZTQSA-N 1 3 324.852 2.107 20 0 DEADHO CN1CC[C@]2(CC[N@@H+](C[C@H](O)COc3ccc(Cl)cc3)C2)C1 ZINC000292047052 625025936 /nfs/dbraw/zinc/02/59/36/625025936.db2.gz BDDVCSYLFKQYIV-RDJZCZTQSA-N 1 3 324.852 2.107 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC000935002233 625178879 /nfs/dbraw/zinc/17/88/79/625178879.db2.gz SVUZEKUGWXGEIP-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC000935002233 625178881 /nfs/dbraw/zinc/17/88/81/625178881.db2.gz SVUZEKUGWXGEIP-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]CC2CCC2)C1 ZINC001025086021 625200404 /nfs/dbraw/zinc/20/04/04/625200404.db2.gz ZZWBZPDLEZVVMQ-NVXWUHKLSA-N 1 3 307.482 2.099 20 0 DEADHO CC1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]CC2CCC2)CC1 ZINC001025122638 625224845 /nfs/dbraw/zinc/22/48/45/625224845.db2.gz MFJKHZUVLJSHRX-GOSISDBHSA-N 1 3 321.509 2.489 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CC1 ZINC001025168840 625242453 /nfs/dbraw/zinc/24/24/53/625242453.db2.gz ZAENHKNRGXVQKN-DLBZAZTESA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC(C)C)C1 ZINC001007455586 625248805 /nfs/dbraw/zinc/24/88/05/625248805.db2.gz CKQIOLQZIAKGET-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC(C)C)C1 ZINC001007455586 625248816 /nfs/dbraw/zinc/24/88/16/625248816.db2.gz CKQIOLQZIAKGET-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO N[C@@H](CC1CC1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309923674 625256853 /nfs/dbraw/zinc/25/68/53/625256853.db2.gz WSXPEEQLEXPDBE-ROUUACIJSA-N 1 3 315.461 2.142 20 0 DEADHO N[C@@H](CC1CC1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309923674 625256858 /nfs/dbraw/zinc/25/68/58/625256858.db2.gz WSXPEEQLEXPDBE-ROUUACIJSA-N 1 3 315.461 2.142 20 0 DEADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)c1ccc(F)cc1 ZINC001019774820 625832082 /nfs/dbraw/zinc/83/20/82/625832082.db2.gz JSTHSTWJRAHVEL-PBHICJAKSA-N 1 3 319.424 2.173 20 0 DEADHO CC1CC(C[NH2+][C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000999366354 634576870 /nfs/dbraw/zinc/57/68/70/634576870.db2.gz XEHYNDHXRBDMQN-GPANFISMSA-N 1 3 307.482 2.097 20 0 DEADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]CC2=CCCCC2)C1 ZINC000999832239 634691524 /nfs/dbraw/zinc/69/15/24/634691524.db2.gz AVTFNXYDKDJANF-UHFFFAOYSA-N 1 3 305.466 2.162 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]Cc2ccsc2)C1 ZINC001000190731 634783407 /nfs/dbraw/zinc/78/34/07/634783407.db2.gz HKVFFFOMLWCRPE-HOCLYGCPSA-N 1 3 321.490 2.313 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC2CCCCC2)C1)N(C)C ZINC001000224959 634801974 /nfs/dbraw/zinc/80/19/74/634801974.db2.gz JISCYUPSRKZNKD-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+]CC3CCCCC3)C2)CCC1 ZINC001026885828 633241579 /nfs/dbraw/zinc/24/15/79/633241579.db2.gz NACHCQCCAVHDOX-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)N2CCCCCC2)CC1(C)C ZINC000996373227 633249399 /nfs/dbraw/zinc/24/93/99/633249399.db2.gz JGMJLSKXWRDABW-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CN(CC(=O)N1CC[C@H](C[NH2+]CC2CCCC2)C1)C1CCC1 ZINC001026888788 633249802 /nfs/dbraw/zinc/24/98/02/633249802.db2.gz NNEXKRMFULQNEW-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H](C(=O)N1C[C@H](NCCF)C(C)(C)C1)[NH+]1CCCCCC1 ZINC000996381759 633251046 /nfs/dbraw/zinc/25/10/46/633251046.db2.gz YKUHXALLNGDWKZ-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)C(C)(C)C1 ZINC000974756418 633291449 /nfs/dbraw/zinc/29/14/49/633291449.db2.gz BYRFJZLFJSGOKS-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)C(C)(C)C1 ZINC000974756418 633291450 /nfs/dbraw/zinc/29/14/50/633291450.db2.gz BYRFJZLFJSGOKS-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO CCC[N@@H+]1C[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974865903 633340520 /nfs/dbraw/zinc/34/05/20/633340520.db2.gz XSDODAZDNUDODS-HOTGVXAUSA-N 1 3 307.482 2.097 20 0 DEADHO CCC[N@H+]1C[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974865903 633340524 /nfs/dbraw/zinc/34/05/24/633340524.db2.gz XSDODAZDNUDODS-HOTGVXAUSA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)C1(C(=O)N2CCC([NH2+]CC3CC(C)(C)C3)CC2)CCC1 ZINC000996664748 633340625 /nfs/dbraw/zinc/34/06/25/633340625.db2.gz MALMNOFJWMWNQK-UHFFFAOYSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)C1)N(C)C ZINC001027069741 633418864 /nfs/dbraw/zinc/41/88/64/633418864.db2.gz APEBGARHYUDVKS-IRXDYDNUSA-N 1 3 307.482 2.265 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001027234783 633505847 /nfs/dbraw/zinc/50/58/47/633505847.db2.gz FBQDCZLRXVWIEJ-DLBZAZTESA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]CCC3CCCC3)CC2)C1 ZINC000997004458 633558961 /nfs/dbraw/zinc/55/89/61/633558961.db2.gz CXXSJFQWKLEAJT-MRXNPFEDSA-N 1 3 321.509 2.489 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CC2CC(C)(C)C2)CC1 ZINC000997615378 633900573 /nfs/dbraw/zinc/90/05/73/633900573.db2.gz UXMRNVYFXMCGLR-QGZVFWFLSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)=CCN1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977456906 633995706 /nfs/dbraw/zinc/99/57/06/633995706.db2.gz XFFIOXULSJRYNU-JKSUJKDBSA-N 1 3 307.482 2.121 20 0 DEADHO CC(C)=CCN1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977456906 633995712 /nfs/dbraw/zinc/99/57/12/633995712.db2.gz XFFIOXULSJRYNU-JKSUJKDBSA-N 1 3 307.482 2.121 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC(C[NH2+]CC2CC(C)C2)CC1)N(C)C ZINC000998047017 634123496 /nfs/dbraw/zinc/12/34/96/634123496.db2.gz MGKCLRSGGGONGP-VMWRSERWSA-N 1 3 323.525 2.447 20 0 DEADHO CC1CCC(CN2CCN(C(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC000950007615 634232292 /nfs/dbraw/zinc/23/22/92/634232292.db2.gz VJPHIWMOGMGQDS-UHFFFAOYSA-N 1 3 321.509 2.299 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC(C)C)C[C@H]21 ZINC000978224818 634253790 /nfs/dbraw/zinc/25/37/90/634253790.db2.gz AOGKUQKPHNBRCF-ZJPYXAASSA-N 1 3 321.509 2.201 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCC(C)C)C[C@H]21 ZINC000978224818 634253791 /nfs/dbraw/zinc/25/37/91/634253791.db2.gz AOGKUQKPHNBRCF-ZJPYXAASSA-N 1 3 321.509 2.201 20 0 DEADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]CC2=CCCCC2)C1 ZINC000998550460 634323906 /nfs/dbraw/zinc/32/39/06/634323906.db2.gz MFICCFQLSQPPBD-JCYILVPMSA-N 1 3 305.466 2.160 20 0 DEADHO CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C[C@H]2C1 ZINC000980173747 634879257 /nfs/dbraw/zinc/87/92/57/634879257.db2.gz SRYGNVAZJVUZRF-ULQDDVLXSA-N 1 3 321.509 2.488 20 0 DEADHO CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C[C@H]2C1 ZINC000980173747 634879259 /nfs/dbraw/zinc/87/92/59/634879259.db2.gz SRYGNVAZJVUZRF-ULQDDVLXSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]([N@H+](C)CC3CC3)C2)c1 ZINC000980471179 635013256 /nfs/dbraw/zinc/01/32/56/635013256.db2.gz LBBRVSWWADSOOQ-GOSISDBHSA-N 1 3 315.461 2.305 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]([N@@H+](C)CC3CC3)C2)c1 ZINC000980471179 635013259 /nfs/dbraw/zinc/01/32/59/635013259.db2.gz LBBRVSWWADSOOQ-GOSISDBHSA-N 1 3 315.461 2.305 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC2CCC2)C1 ZINC000980485679 635017906 /nfs/dbraw/zinc/01/79/06/635017906.db2.gz KYNCBGCXEXGMBQ-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC2CCC2)C1 ZINC000980485679 635017907 /nfs/dbraw/zinc/01/79/07/635017907.db2.gz KYNCBGCXEXGMBQ-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1C[C@H](C[NH2+]CC2CCC2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000980700377 635098119 /nfs/dbraw/zinc/09/81/19/635098119.db2.gz NAFYPXWIKLDOLV-DOTOQJQBSA-N 1 3 321.509 2.345 20 0 DEADHO Cc1cc(C(F)(F)F)nn1CCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925804120 635428595 /nfs/dbraw/zinc/42/85/95/635428595.db2.gz CFOSPCVVTGASIA-GHMZBOCLSA-N 1 3 302.344 2.070 20 0 DEADHO Cc1cc(C(F)(F)F)nn1CC[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000925804120 635428597 /nfs/dbraw/zinc/42/85/97/635428597.db2.gz CFOSPCVVTGASIA-GHMZBOCLSA-N 1 3 302.344 2.070 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCCN(CCCF)CC2)C1 ZINC000981806030 635662522 /nfs/dbraw/zinc/66/25/22/635662522.db2.gz LLIXBGVLDYRXEQ-INIZCTEOSA-N 1 3 313.461 2.002 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCCN(CCCF)CC2)C1 ZINC000981806030 635662526 /nfs/dbraw/zinc/66/25/26/635662526.db2.gz LLIXBGVLDYRXEQ-INIZCTEOSA-N 1 3 313.461 2.002 20 0 DEADHO CCCC[N@@H+]1CCCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000981810615 635666271 /nfs/dbraw/zinc/66/62/71/635666271.db2.gz VNRVJPYNWURQHP-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CCCC[N@H+]1CCCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000981810615 635666277 /nfs/dbraw/zinc/66/62/77/635666277.db2.gz VNRVJPYNWURQHP-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO [NH3+][C@@H]1C[C@H](N[C@@H]2CCCN3CCSC[C@@H]23)c2ccccc21 ZINC000925824535 635704024 /nfs/dbraw/zinc/70/40/24/635704024.db2.gz ADEBALPWLDEOIO-NCOADZHNSA-N 1 3 303.475 2.301 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CCC[N@H+](CC1CCCC1)C2 ZINC000982036353 635837085 /nfs/dbraw/zinc/83/70/85/635837085.db2.gz FZVGSHIINOBXLI-UHFFFAOYSA-N 1 3 316.449 2.067 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CCC[N@@H+](CC1CCCC1)C2 ZINC000982036353 635837089 /nfs/dbraw/zinc/83/70/89/635837089.db2.gz FZVGSHIINOBXLI-UHFFFAOYSA-N 1 3 316.449 2.067 20 0 DEADHO FCCn1cc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000922077211 635845442 /nfs/dbraw/zinc/84/54/42/635845442.db2.gz PFXBKDHULGIQIS-QGZVFWFLSA-N 1 3 316.424 2.464 20 0 DEADHO CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC000982052579 635845803 /nfs/dbraw/zinc/84/58/03/635845803.db2.gz QKQRVIKGXIWCQH-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC000982052579 635845810 /nfs/dbraw/zinc/84/58/10/635845810.db2.gz QKQRVIKGXIWCQH-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)[C@@H](CC[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C)C(F)(F)F ZINC000925837055 635872672 /nfs/dbraw/zinc/87/26/72/635872672.db2.gz MZDLZWCSBADZEE-VOAKCMCISA-N 1 3 307.404 2.235 20 0 DEADHO CN(C)[C@@H](CCN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C(F)(F)F ZINC000925837055 635872678 /nfs/dbraw/zinc/87/26/78/635872678.db2.gz MZDLZWCSBADZEE-VOAKCMCISA-N 1 3 307.404 2.235 20 0 DEADHO Cc1cc(CN2CCC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)cs1 ZINC001028316734 636127585 /nfs/dbraw/zinc/12/75/85/636127585.db2.gz UEVJYUROAZZONI-CVEARBPZSA-N 1 3 321.490 2.089 20 0 DEADHO Cc1cc(CN2CCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)cs1 ZINC001028316734 636127587 /nfs/dbraw/zinc/12/75/87/636127587.db2.gz UEVJYUROAZZONI-CVEARBPZSA-N 1 3 321.490 2.089 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1ccnn1C(C)C)C2 ZINC000922387753 636142079 /nfs/dbraw/zinc/14/20/79/636142079.db2.gz APQHSLYHDLBNKK-ZJPYXAASSA-N 1 3 320.481 2.033 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1ccnn1C(C)C)C2 ZINC000922387753 636142081 /nfs/dbraw/zinc/14/20/81/636142081.db2.gz APQHSLYHDLBNKK-ZJPYXAASSA-N 1 3 320.481 2.033 20 0 DEADHO Cc1cc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c(C)o1 ZINC000922388229 636142089 /nfs/dbraw/zinc/14/20/89/636142089.db2.gz NPGJCLIKOWFSQW-BDXSIMOUSA-N 1 3 306.450 2.466 20 0 DEADHO Cc1cc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)c(C)o1 ZINC000922388229 636142092 /nfs/dbraw/zinc/14/20/92/636142092.db2.gz NPGJCLIKOWFSQW-BDXSIMOUSA-N 1 3 306.450 2.466 20 0 DEADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3ccccn3)C2)[C@H]1C(C)C ZINC000922394381 636155343 /nfs/dbraw/zinc/15/53/43/636155343.db2.gz VRFAPKRTTXYWTI-TVFCKZIOSA-N 1 3 303.450 2.041 20 0 DEADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3ccccn3)C2)[C@H]1C(C)C ZINC000922394381 636155346 /nfs/dbraw/zinc/15/53/46/636155346.db2.gz VRFAPKRTTXYWTI-TVFCKZIOSA-N 1 3 303.450 2.041 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1CC[NH+](CCC2CC2)CC1 ZINC001004204720 636223744 /nfs/dbraw/zinc/22/37/44/636223744.db2.gz VJWCHIUHNWEDKK-GASCZTMLSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001028536420 636327846 /nfs/dbraw/zinc/32/78/46/636327846.db2.gz BUHULLYECJXGLH-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001028536420 636327851 /nfs/dbraw/zinc/32/78/51/636327851.db2.gz BUHULLYECJXGLH-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN(C/C=C\Cl)C1 ZINC001028537557 636329767 /nfs/dbraw/zinc/32/97/67/636329767.db2.gz NIYYMLVSXZXESE-DGPIVGRDSA-N 1 3 313.873 2.050 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN(C/C=C\Cl)C1 ZINC001028537557 636329769 /nfs/dbraw/zinc/32/97/69/636329769.db2.gz NIYYMLVSXZXESE-DGPIVGRDSA-N 1 3 313.873 2.050 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000927773344 636386608 /nfs/dbraw/zinc/38/66/08/636386608.db2.gz IQERRWQQUDMESV-GVDBMIGSSA-N 1 3 307.482 2.240 20 0 DEADHO CCc1noc([C@@H]2CC[C@H](N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)n1 ZINC000922866481 636446730 /nfs/dbraw/zinc/44/67/30/636446730.db2.gz NOYLKJNWPHSQEW-LXTVHRRPSA-N 1 3 304.438 2.485 20 0 DEADHO CCc1noc([C@@H]2CC[C@H](N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)n1 ZINC000922866481 636446731 /nfs/dbraw/zinc/44/67/31/636446731.db2.gz NOYLKJNWPHSQEW-LXTVHRRPSA-N 1 3 304.438 2.485 20 0 DEADHO CC(C)[N@@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@H]3C)C[C@@]2(C)C1 ZINC000982831138 636496061 /nfs/dbraw/zinc/49/60/61/636496061.db2.gz HJTYYUDSTSQLSN-RWQQGDIJSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)[N@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@H]3C)C[C@@]2(C)C1 ZINC000982831138 636496063 /nfs/dbraw/zinc/49/60/63/636496063.db2.gz HJTYYUDSTSQLSN-RWQQGDIJSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004615945 636503051 /nfs/dbraw/zinc/50/30/51/636503051.db2.gz JXYPLEGRWGCUHZ-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004615945 636503055 /nfs/dbraw/zinc/50/30/55/636503055.db2.gz JXYPLEGRWGCUHZ-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCCN1CC(=O)N(C)C1CC[NH+](CCC2CC2)CC1 ZINC001005991560 637047043 /nfs/dbraw/zinc/04/70/43/637047043.db2.gz OZLMHQMLPRKPQW-HNNXBMFYSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C[C@@H](O)CO[C@H]1CCCc2ccccc21)CC(C)(C)C[NH3+] ZINC000923295191 637096722 /nfs/dbraw/zinc/09/67/22/637096722.db2.gz WHCFDLYCPYRWOR-AEFFLSMTSA-N 1 3 320.477 2.358 20 0 DEADHO Cc1ccc(Cl)c(OC[C@@H](O)CN[C@](C)(C[NH3+])C(C)C)c1 ZINC000923300621 637100298 /nfs/dbraw/zinc/10/02/98/637100298.db2.gz XSJMTOJDOCMOGQ-XJKSGUPXSA-N 1 3 314.857 2.351 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCN(C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000923330491 637113383 /nfs/dbraw/zinc/11/33/83/637113383.db2.gz GILJUMPVANYISA-BHYGNILZSA-N 1 3 314.429 2.249 20 0 DEADHO Cc1cc(CN2CCN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)no1 ZINC000923320295 637114261 /nfs/dbraw/zinc/11/42/61/637114261.db2.gz WRSHMCHLKNPPBP-ALOPSCKCSA-N 1 3 318.465 2.021 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000923333904 637120764 /nfs/dbraw/zinc/12/07/64/637120764.db2.gz ZFVNPFWXCLJKKH-WFEDQXDTSA-N 1 3 318.461 2.111 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000923331624 637124962 /nfs/dbraw/zinc/12/49/62/637124962.db2.gz NHFOQGQLFSZPJX-IACUBPJLSA-N 1 3 316.367 2.278 20 0 DEADHO COC(=O)c1ccc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)cc1C ZINC000894593457 637125990 /nfs/dbraw/zinc/12/59/90/637125990.db2.gz LSZAYWJPCARQBX-SFHVURJKSA-N 1 3 302.418 2.309 20 0 DEADHO COC(=O)c1ccc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)cc1C ZINC000894593457 637125994 /nfs/dbraw/zinc/12/59/94/637125994.db2.gz LSZAYWJPCARQBX-SFHVURJKSA-N 1 3 302.418 2.309 20 0 DEADHO Cc1ccc(OC[C@H](O)CN2CCCC[C@H]2CC[NH3+])c(C)c1 ZINC000923353939 637135007 /nfs/dbraw/zinc/13/50/07/637135007.db2.gz OMYDXPJVSFXAOW-DLBZAZTESA-N 1 3 306.450 2.246 20 0 DEADHO CCc1nc2c(s1)[C@@H](N(C)C[C@@H]1CC3(C[NH2+]C3)CO1)CCC2 ZINC000923371023 637141236 /nfs/dbraw/zinc/14/12/36/637141236.db2.gz NXYXWVJKKLEECV-JSGCOSHPSA-N 1 3 321.490 2.393 20 0 DEADHO Cc1ccccc1OC[C@H](O)CN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000923382934 637149769 /nfs/dbraw/zinc/14/97/69/637149769.db2.gz NMSCADRDWURBGS-LUKYLMHMSA-N 1 3 306.450 2.040 20 0 DEADHO C[C@@H]1CCCN(C[C@@H](O)COc2ccc(F)cc2)[C@H]1CC[NH3+] ZINC000923385370 637154453 /nfs/dbraw/zinc/15/44/53/637154453.db2.gz AIFLOIBZUZIOGA-UNEWFSDZSA-N 1 3 310.413 2.015 20 0 DEADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000923423219 637170094 /nfs/dbraw/zinc/17/00/94/637170094.db2.gz WCTLOIGSFWXXOB-SPUZQDLCSA-N 1 3 318.461 2.157 20 0 DEADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000923423219 637170099 /nfs/dbraw/zinc/17/00/99/637170099.db2.gz WCTLOIGSFWXXOB-SPUZQDLCSA-N 1 3 318.461 2.157 20 0 DEADHO O[C@H](CCc1ccccc1)CN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000923426454 637172339 /nfs/dbraw/zinc/17/23/39/637172339.db2.gz DXLURUZAPGLFLD-RTBURBONSA-N 1 3 302.462 2.446 20 0 DEADHO Cc1cc(C)c(N2CC[C@@H](N3CC[C@@H](CC[NH3+])C3)C2=O)c(C)c1 ZINC000923480500 637202851 /nfs/dbraw/zinc/20/28/51/637202851.db2.gz HUGQDDIVLRLAJZ-IAGOWNOFSA-N 1 3 315.461 2.388 20 0 DEADHO C[C@@H](C(=O)NCc1ccccc1Cl)N1CC[C@@H](CC[NH3+])C1 ZINC000923488701 637208800 /nfs/dbraw/zinc/20/88/00/637208800.db2.gz UCUNIZFRQQOHCA-QWHCGFSZSA-N 1 3 309.841 2.015 20 0 DEADHO C[C@@H](C(=O)N1CCCc2ccccc21)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923502181 637212741 /nfs/dbraw/zinc/21/27/41/637212741.db2.gz ADNNVJHYLHOZGR-HLLBOEOZSA-N 1 3 315.461 2.271 20 0 DEADHO C[C@@H]1CN([C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC[C@@H]1C[NH3+] ZINC000923497934 637215277 /nfs/dbraw/zinc/21/52/77/637215277.db2.gz NLFPRRUWIQWTOP-IOASZLSFSA-N 1 3 321.852 2.362 20 0 DEADHO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923504943 637220180 /nfs/dbraw/zinc/22/01/80/637220180.db2.gz XBCGZBFMLIGFFY-DLTWYDFYSA-N 1 3 315.461 2.269 20 0 DEADHO COc1ccc([C@H](NC(C)C)C(=O)NCC(C)(C)[NH+](C)C)cc1 ZINC000895588766 638099243 /nfs/dbraw/zinc/09/92/43/638099243.db2.gz PGFNVIVIWPAVDQ-INIZCTEOSA-N 1 3 321.465 2.191 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H]1C1CCCC1 ZINC000895666040 638140656 /nfs/dbraw/zinc/14/06/56/638140656.db2.gz JOHRWTLQGFKJJT-DOTOQJQBSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H]1C1CCCC1 ZINC000895666040 638140659 /nfs/dbraw/zinc/14/06/59/638140659.db2.gz JOHRWTLQGFKJJT-DOTOQJQBSA-N 1 3 324.513 2.233 20 0 DEADHO CCO/C=C/[C@](O)(C[NH2+][C@H]1CCN(C)C(C)(C)C1)C(F)(F)F ZINC000895717992 638162508 /nfs/dbraw/zinc/16/25/08/638162508.db2.gz PQXQHSGUSMPQCT-VWZQRQAESA-N 1 3 324.387 2.292 20 0 DEADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000743813875 638175851 /nfs/dbraw/zinc/17/58/51/638175851.db2.gz XYTRMKKQLIFXAP-CQSZACIVSA-N 1 3 304.438 2.354 20 0 DEADHO C[C@@H]1CCC[N@H+]1CCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000743813875 638175855 /nfs/dbraw/zinc/17/58/55/638175855.db2.gz XYTRMKKQLIFXAP-CQSZACIVSA-N 1 3 304.438 2.354 20 0 DEADHO CC[NH2+][C@H](C)CN[C@@H]1CCC[C@H](C(F)(F)C(=O)OCC)C1 ZINC000841063197 650418672 /nfs/dbraw/zinc/41/86/72/650418672.db2.gz FQUCKVBMTOKXOG-FRRDWIJNSA-N 1 3 306.397 2.331 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CCC2)C1 ZINC000985147917 639080306 /nfs/dbraw/zinc/08/03/06/639080306.db2.gz FOSJJMRRDPEZGE-OTRWWLKZSA-N 1 3 307.482 2.144 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2=CCCCC2)C1 ZINC001029672503 639409218 /nfs/dbraw/zinc/40/92/18/639409218.db2.gz JOEMBFGYKUKVRY-ROUUACIJSA-N 1 3 319.493 2.361 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2=CCCCC2)C1 ZINC001029672503 639409220 /nfs/dbraw/zinc/40/92/20/639409220.db2.gz JOEMBFGYKUKVRY-ROUUACIJSA-N 1 3 319.493 2.361 20 0 DEADHO CC1CC(C[N@H+](C)C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC000985648718 639562113 /nfs/dbraw/zinc/56/21/13/639562113.db2.gz YBUJNJGXZKXSLS-CGZBRXJRSA-N 1 3 321.509 2.440 20 0 DEADHO CC1CC(C[N@@H+](C)C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC000985648718 639562115 /nfs/dbraw/zinc/56/21/15/639562115.db2.gz YBUJNJGXZKXSLS-CGZBRXJRSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H]1[C@@H]([NH2+]CC2=CCCCC2)CCN1C(=O)CN1CCCC1 ZINC000987522167 640213358 /nfs/dbraw/zinc/21/33/58/640213358.db2.gz FVPHYYBHSQSGDH-WBVHZDCISA-N 1 3 305.466 2.162 20 0 DEADHO C[C@@H]1[C@H]([NH2+]CCC2CCCC2)CCN1C(=O)CN1CCCC1 ZINC000987532499 640214173 /nfs/dbraw/zinc/21/41/73/640214173.db2.gz QUVAHPYUPURRRH-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000841856312 650581629 /nfs/dbraw/zinc/58/16/29/650581629.db2.gz UTCBMBJHQUWTAJ-NJINODPHSA-N 1 3 322.497 2.175 20 0 DEADHO CN(C)C1(C(=O)NC2CCC([NH+]3CCCCC3)CC2)CCC1 ZINC000763071737 640500388 /nfs/dbraw/zinc/50/03/88/640500388.db2.gz YTNAKPMXMAQWEF-UHFFFAOYSA-N 1 3 307.482 2.384 20 0 DEADHO C[N@@H+]1C[C@@H]2CN(Cc3cc(-n4ccnc4)cs3)C[C@]2(C)C1 ZINC000897621667 640871545 /nfs/dbraw/zinc/87/15/45/640871545.db2.gz MWYPIZJURLMMTO-CJNGLKHVSA-N 1 3 302.447 2.317 20 0 DEADHO C[N@H+]1C[C@@H]2CN(Cc3cc(-n4ccnc4)cs3)C[C@]2(C)C1 ZINC000897621667 640871546 /nfs/dbraw/zinc/87/15/46/640871546.db2.gz MWYPIZJURLMMTO-CJNGLKHVSA-N 1 3 302.447 2.317 20 0 DEADHO CCCN1CCN(c2ccccc2C[N@H+]2C[C@H](O)[C@@H](C)C2)CC1 ZINC000897679996 640900657 /nfs/dbraw/zinc/90/06/57/640900657.db2.gz DQMJTTKFCPKMSQ-LPHOPBHVSA-N 1 3 317.477 2.031 20 0 DEADHO CCCN1CCN(c2ccccc2C[N@@H+]2C[C@H](O)[C@@H](C)C2)CC1 ZINC000897679996 640900661 /nfs/dbraw/zinc/90/06/61/640900661.db2.gz DQMJTTKFCPKMSQ-LPHOPBHVSA-N 1 3 317.477 2.031 20 0 DEADHO C[N@@H+]1CC[C@H](CC(=O)N2CCCN(CC3=CCCCC3)CC2)C1 ZINC000989474819 641117220 /nfs/dbraw/zinc/11/72/20/641117220.db2.gz LTYJYJJTRHSTBA-GOSISDBHSA-N 1 3 319.493 2.363 20 0 DEADHO C[N@H+]1CC[C@H](CC(=O)N2CCCN(CC3=CCCCC3)CC2)C1 ZINC000989474819 641117222 /nfs/dbraw/zinc/11/72/22/641117222.db2.gz LTYJYJJTRHSTBA-GOSISDBHSA-N 1 3 319.493 2.363 20 0 DEADHO CC(C)(C(=O)N1CCC[N@H+](CC2CCCC2)CC1)c1c[nH]cn1 ZINC000989486075 641117968 /nfs/dbraw/zinc/11/79/68/641117968.db2.gz GBPUUJAUEHKZSA-UHFFFAOYSA-N 1 3 318.465 2.412 20 0 DEADHO CC(C)(C(=O)N1CCC[N@@H+](CC2CCCC2)CC1)c1c[nH]cn1 ZINC000989486075 641117969 /nfs/dbraw/zinc/11/79/69/641117969.db2.gz GBPUUJAUEHKZSA-UHFFFAOYSA-N 1 3 318.465 2.412 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)CN1C(=O)Cc1c[nH]cn1 ZINC000989493162 641123643 /nfs/dbraw/zinc/12/36/43/641123643.db2.gz RPNOSSOZUKAMMM-YOEHRIQHSA-N 1 3 316.449 2.422 20 0 DEADHO CN(C)c1ccc(N2CCC(N[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000841043944 641451946 /nfs/dbraw/zinc/45/19/46/641451946.db2.gz ZTTABPNFPJQRAZ-MRXNPFEDSA-N 1 3 302.466 2.063 20 0 DEADHO C[C@H]1NCCn2c(-c3nc(C4C[C@H]5CC[C@@H](C4)[NH2+]5)no3)ccc21 ZINC000900016915 642238072 /nfs/dbraw/zinc/23/80/72/642238072.db2.gz SVJGBIZLVIYHAW-ODWCKFRGSA-N 1 3 313.405 2.200 20 0 DEADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000900708029 642448183 /nfs/dbraw/zinc/44/81/83/642448183.db2.gz GUUBQFKPCCTULS-GJZGRUSLSA-N 1 3 304.438 2.065 20 0 DEADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000900708029 642448185 /nfs/dbraw/zinc/44/81/85/642448185.db2.gz GUUBQFKPCCTULS-GJZGRUSLSA-N 1 3 304.438 2.065 20 0 DEADHO C[N@H+]1CC=C(CNC(=O)c2ccc(NC3=NCCC3)cc2)CC1 ZINC000901331319 642626392 /nfs/dbraw/zinc/62/63/92/642626392.db2.gz SJDDTSIIPCKCPG-UHFFFAOYSA-N 1 3 312.417 2.283 20 0 DEADHO C[N@@H+]1CC=C(CNC(=O)c2ccc(NC3=NCCC3)cc2)CC1 ZINC000901331319 642626398 /nfs/dbraw/zinc/62/63/98/642626398.db2.gz SJDDTSIIPCKCPG-UHFFFAOYSA-N 1 3 312.417 2.283 20 0 DEADHO CC1(C)C[NH2+]CC[C@H](NCCn2cc(Br)cn2)C1 ZINC000902384940 643024807 /nfs/dbraw/zinc/02/48/07/643024807.db2.gz PXDMUNMINKLWOT-LBPRGKRZSA-N 1 3 315.259 2.013 20 0 DEADHO C1CC1[N@H+]1[C@@H]2CC[C@H]1CC(N[C@H]1CCCN3CCSC[C@@H]13)C2 ZINC000903224349 643295930 /nfs/dbraw/zinc/29/59/30/643295930.db2.gz UWNVXQHQSYNRJM-LLPGRJKPSA-N 1 3 321.534 2.314 20 0 DEADHO C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC(N[C@H]1CCCN3CCSC[C@@H]13)C2 ZINC000903224349 643295931 /nfs/dbraw/zinc/29/59/31/643295931.db2.gz UWNVXQHQSYNRJM-LLPGRJKPSA-N 1 3 321.534 2.314 20 0 DEADHO C(C1CC1)N1CCC([NH2+][C@@H]2CCCN3CCSC[C@H]23)CC1 ZINC000903270098 643306065 /nfs/dbraw/zinc/30/60/65/643306065.db2.gz BMEKZHAOCFNIJO-IAGOWNOFSA-N 1 3 309.523 2.030 20 0 DEADHO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](CCN(C)C)c2cccnc2)C1 ZINC000903376596 643334469 /nfs/dbraw/zinc/33/44/69/643334469.db2.gz FWVHREROLZZUPV-KBMXLJTQSA-N 1 3 305.422 2.006 20 0 DEADHO CC(C)(C)C(=O)NC[C@H]1CCCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903729705 643442122 /nfs/dbraw/zinc/44/21/22/643442122.db2.gz QVDKZHIFADTGBQ-HZPDHXFCSA-N 1 3 309.498 2.250 20 0 DEADHO CC[C@H](NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1c(C)noc1C ZINC000903759162 643451768 /nfs/dbraw/zinc/45/17/68/643451768.db2.gz PIQCNUZDEAANQX-GJZGRUSLSA-N 1 3 307.438 2.491 20 0 DEADHO Fc1ccc(O[C@H]2CCN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)cc1 ZINC000903780582 643460234 /nfs/dbraw/zinc/46/02/34/643460234.db2.gz JKLNTSFIEXXGKU-OKZBNKHCSA-N 1 3 320.408 2.047 20 0 DEADHO c1cc(C[N@@H+]2CCNCCC23CCOCC3)c2c(c1)COCC2 ZINC000903818285 643478800 /nfs/dbraw/zinc/47/88/00/643478800.db2.gz FLWBDSVBZUMEJT-UHFFFAOYSA-N 1 3 316.445 2.104 20 0 DEADHO c1cc(C[N@H+]2CCNCCC23CCOCC3)c2c(c1)COCC2 ZINC000903818285 643478803 /nfs/dbraw/zinc/47/88/03/643478803.db2.gz FLWBDSVBZUMEJT-UHFFFAOYSA-N 1 3 316.445 2.104 20 0 DEADHO Oc1cccc(N2CCN(Cc3cccc4c3CC[NH2+]C4)CC2)c1 ZINC000903878310 643494792 /nfs/dbraw/zinc/49/47/92/643494792.db2.gz GCTGDZDYOMQLTN-UHFFFAOYSA-N 1 3 323.440 2.360 20 0 DEADHO CCC(CC)C(=O)N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903883991 643496046 /nfs/dbraw/zinc/49/60/46/643496046.db2.gz ODTRPDGHCZEVFY-ZXFUBFMLSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1c(C[C@@H](C[NH3+])CN(C)CCc2ccccc2F)cnn1C ZINC000903885971 643497923 /nfs/dbraw/zinc/49/79/23/643497923.db2.gz MWHLRPJQPYNUET-HNNXBMFYSA-N 1 3 318.440 2.160 20 0 DEADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cc[nH]c(=O)c1 ZINC000788643464 643631485 /nfs/dbraw/zinc/63/14/85/643631485.db2.gz JRJDVPMOFNPABY-RBSFLKMASA-N 1 3 307.438 2.327 20 0 DEADHO COCCn1cc(CN2CCC([C@@H]3CCC[NH2+]CC3)CC2)cn1 ZINC000904415854 643663777 /nfs/dbraw/zinc/66/37/77/643663777.db2.gz CCKZMIOQBWUUJD-QGZVFWFLSA-N 1 3 320.481 2.131 20 0 DEADHO O[C@H](CC[C@H](O)c1ccccc1)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000905051980 643771668 /nfs/dbraw/zinc/77/16/68/643771668.db2.gz YEBVISKMAKVPQL-OKYOBFRVSA-N 1 3 318.461 2.078 20 0 DEADHO O[C@H](CC[C@H](O)c1ccccc1)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000905051980 643771671 /nfs/dbraw/zinc/77/16/71/643771671.db2.gz YEBVISKMAKVPQL-OKYOBFRVSA-N 1 3 318.461 2.078 20 0 DEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)CCOCc2ccccc2)C1 ZINC000905157226 643801468 /nfs/dbraw/zinc/80/14/68/643801468.db2.gz YFPQVQMVQYNLHH-QRVBRYPASA-N 1 3 320.477 2.417 20 0 DEADHO Cc1cccc([C@@H](O)CNCCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000905235232 643845510 /nfs/dbraw/zinc/84/55/10/643845510.db2.gz XVGUXBMFIPESTL-AEFFLSMTSA-N 1 3 306.450 2.119 20 0 DEADHO Cc1cccc([C@@H](O)CNCCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000905235232 643845514 /nfs/dbraw/zinc/84/55/14/643845514.db2.gz XVGUXBMFIPESTL-AEFFLSMTSA-N 1 3 306.450 2.119 20 0 DEADHO CC1(C)CC(NC[C@H](O)CC2(CO)CCCC2)CC(C)(C)[NH2+]1 ZINC000905871537 644066706 /nfs/dbraw/zinc/06/67/06/644066706.db2.gz WZIZTKGIPXKSHW-OAHLLOKOSA-N 1 3 312.498 2.189 20 0 DEADHO C[N@@H+]1CC[C@H](NCc2cccnc2-n2ccnc2)[C@H]2CCC[C@H]21 ZINC000796695507 644778015 /nfs/dbraw/zinc/77/80/15/644778015.db2.gz OOANATCCBJOAHW-IXDOHACOSA-N 1 3 311.433 2.230 20 0 DEADHO C[N@H+]1CC[C@H](NCc2cccnc2-n2ccnc2)[C@H]2CCC[C@H]21 ZINC000796695507 644778018 /nfs/dbraw/zinc/77/80/18/644778018.db2.gz OOANATCCBJOAHW-IXDOHACOSA-N 1 3 311.433 2.230 20 0 DEADHO CN1CC[C@H]([NH2+]Cc2cccnc2-n2ccnc2)[C@H]2CCC[C@H]21 ZINC000796695507 644778022 /nfs/dbraw/zinc/77/80/22/644778022.db2.gz OOANATCCBJOAHW-IXDOHACOSA-N 1 3 311.433 2.230 20 0 DEADHO Cc1cc([C@H](N)CC(=O)NC(C)(C)CCC[NH3+])cc(Cl)n1 ZINC000843481240 650982486 /nfs/dbraw/zinc/98/24/86/650982486.db2.gz BCMSXBMKLYVGIW-GFCCVEGCSA-N 1 3 312.845 2.067 20 0 DEADHO C[C@H](Cc1cccc(F)c1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000799727154 645214443 /nfs/dbraw/zinc/21/44/43/645214443.db2.gz XEQMLUMLHGHPJU-OAHLLOKOSA-N 1 3 307.457 2.372 20 0 DEADHO CCN(C(=O)c1ccc(NC2=NCCC2)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000912309032 646021508 /nfs/dbraw/zinc/02/15/08/646021508.db2.gz VRSAWBVFIDBPLB-MRXNPFEDSA-N 1 3 314.433 2.457 20 0 DEADHO CCN(C(=O)c1ccc(NC2=NCCC2)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000912309032 646021509 /nfs/dbraw/zinc/02/15/09/646021509.db2.gz VRSAWBVFIDBPLB-MRXNPFEDSA-N 1 3 314.433 2.457 20 0 DEADHO C[C@@H]([NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1)c1cnnn1C ZINC000924852499 646238694 /nfs/dbraw/zinc/23/86/94/646238694.db2.gz JZEFJANHDRJQPV-WBVHZDCISA-N 1 3 313.449 2.378 20 0 DEADHO O=C(NC[C@@H]1CCN1C1CCCC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000913160179 646277582 /nfs/dbraw/zinc/27/75/82/646277582.db2.gz VGWLRZKZNXWNAQ-YESZJQIVSA-N 1 3 305.466 2.136 20 0 DEADHO O=C(NC[C@@H]1CCN1C1CCCC1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000913160179 646277588 /nfs/dbraw/zinc/27/75/88/646277588.db2.gz VGWLRZKZNXWNAQ-YESZJQIVSA-N 1 3 305.466 2.136 20 0 DEADHO C[NH+]1CCC([C@H]2CCN(CN3C(=O)C(C)(C)[C@@H]3C3CC3)C2)CC1 ZINC000811759260 646570940 /nfs/dbraw/zinc/57/09/40/646570940.db2.gz CARFFKQPWBLTMX-IRXDYDNUSA-N 1 3 319.493 2.255 20 0 DEADHO CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]21 ZINC000992707650 647190805 /nfs/dbraw/zinc/19/08/05/647190805.db2.gz HBRHSTBLRVMSHR-DJIMGWMZSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1C[C@@H](C)N(Cc2ccc3c(c2)CCC(=O)N3C)C[C@H]1C[NH3+] ZINC000817866090 647369415 /nfs/dbraw/zinc/36/94/15/647369415.db2.gz WLBIIUWCHFVCLX-CKEIUWERSA-N 1 3 315.461 2.401 20 0 DEADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@]1(O)CCc2ccccc21 ZINC000817917246 647381031 /nfs/dbraw/zinc/38/10/31/647381031.db2.gz NNLSWARKKRJSRN-CWFSZBLJSA-N 1 3 310.441 2.369 20 0 DEADHO [NH3+]C[C@H]1CCC[C@H]1NC[C@H](O)c1cccc(Br)c1 ZINC000817932716 647386163 /nfs/dbraw/zinc/38/61/63/647386163.db2.gz WWSVFQDPISJFTR-BNOWGMLFSA-N 1 3 313.239 2.200 20 0 DEADHO CC(C)C[C@@H](C[NH3+])N[C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000817958118 647393599 /nfs/dbraw/zinc/39/35/99/647393599.db2.gz HQGUJTXIMCXJFM-RYUDHWBXSA-N 1 3 312.845 2.415 20 0 DEADHO CCCC[C@H](CN)[NH2+][C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000817961773 647394730 /nfs/dbraw/zinc/39/47/30/647394730.db2.gz BXZAOLXZMGLSBJ-QXAKKESOSA-N 1 3 319.493 2.383 20 0 DEADHO C[C@H](CC(=O)Nc1cccnc1Cl)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000817970331 647396786 /nfs/dbraw/zinc/39/67/86/647396786.db2.gz RMWXZGRTRREDCT-UTUOFQBUSA-N 1 3 310.829 2.312 20 0 DEADHO C[C@H](CC(=O)Nc1cccnc1Cl)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000817972278 647398019 /nfs/dbraw/zinc/39/80/19/647398019.db2.gz VVVQXILSNHPYQF-QJPTWQEYSA-N 1 3 310.829 2.040 20 0 DEADHO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000817972278 647398021 /nfs/dbraw/zinc/39/80/21/647398021.db2.gz VVVQXILSNHPYQF-QJPTWQEYSA-N 1 3 310.829 2.040 20 0 DEADHO Cc1ccc(N2CCC[C@@H](NC[C@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC000819113215 647585246 /nfs/dbraw/zinc/58/52/46/647585246.db2.gz MOEDOLOPEDOJTK-APWZRJJASA-N 1 3 317.477 2.009 20 0 DEADHO Cc1ccc(N2CCC[C@@H](NC[C@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC000819113215 647585251 /nfs/dbraw/zinc/58/52/51/647585251.db2.gz MOEDOLOPEDOJTK-APWZRJJASA-N 1 3 317.477 2.009 20 0 DEADHO O[C@@H](C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccccc1 ZINC000819173736 647600972 /nfs/dbraw/zinc/60/09/72/647600972.db2.gz MKXQKNWAWGWRFL-QYZOEREBSA-N 1 3 318.461 2.078 20 0 DEADHO Cc1ccccc1[C@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000824827062 648658217 /nfs/dbraw/zinc/65/82/17/648658217.db2.gz WWTNLTPYTBTZSE-IRXDYDNUSA-N 1 3 319.493 2.487 20 0 DEADHO Cc1ccccc1[C@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000824827062 648658218 /nfs/dbraw/zinc/65/82/18/648658218.db2.gz WWTNLTPYTBTZSE-IRXDYDNUSA-N 1 3 319.493 2.487 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000825340185 648744853 /nfs/dbraw/zinc/74/48/53/648744853.db2.gz BBGNLZPFSREHRV-NVXWUHKLSA-N 1 3 307.482 2.382 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000825340185 648744857 /nfs/dbraw/zinc/74/48/57/648744857.db2.gz BBGNLZPFSREHRV-NVXWUHKLSA-N 1 3 307.482 2.382 20 0 DEADHO CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C(C)(C)C1 ZINC000941074373 648993977 /nfs/dbraw/zinc/99/39/77/648993977.db2.gz CKSHMTJIQBPWBQ-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C(C)(C)C1 ZINC000941074373 648993981 /nfs/dbraw/zinc/99/39/81/648993981.db2.gz CKSHMTJIQBPWBQ-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+](CCC1CCN(CC[S@@](C)=O)CC1)CC1CC1 ZINC000828610465 649202276 /nfs/dbraw/zinc/20/22/76/649202276.db2.gz FFJIGKBURUHSGP-HXUWFJFHSA-N 1 3 300.512 2.199 20 0 DEADHO CC[N@@H+](CCC1CCN(CC[S@@](C)=O)CC1)CC1CC1 ZINC000828610465 649202277 /nfs/dbraw/zinc/20/22/77/649202277.db2.gz FFJIGKBURUHSGP-HXUWFJFHSA-N 1 3 300.512 2.199 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@H](C)C1 ZINC000942557877 649244614 /nfs/dbraw/zinc/24/46/14/649244614.db2.gz OFQJEXZLHKBXQN-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@H](C)C1 ZINC000942557877 649244619 /nfs/dbraw/zinc/24/46/19/649244619.db2.gz OFQJEXZLHKBXQN-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CCC(C)C)C[C@@H]1C ZINC000944443115 649526983 /nfs/dbraw/zinc/52/69/83/649526983.db2.gz GQHOIENUOACYEO-DZGCQCFKSA-N 1 3 306.454 2.133 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CCC(C)C)C[C@@H]1C ZINC000944443115 649526984 /nfs/dbraw/zinc/52/69/84/649526984.db2.gz GQHOIENUOACYEO-DZGCQCFKSA-N 1 3 306.454 2.133 20 0 DEADHO C[C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[NH2+]2)CN1Cc1ccccc1 ZINC000831236269 649558137 /nfs/dbraw/zinc/55/81/37/649558137.db2.gz WWWBHMIAGUAAJQ-SZMVWBNQSA-N 1 3 315.461 2.298 20 0 DEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)CCCCC[NH3+] ZINC000831412808 649588956 /nfs/dbraw/zinc/58/89/56/649588956.db2.gz YFSPJTDJEKIYIW-UHFFFAOYSA-N 1 3 309.429 2.235 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000831700855 649630369 /nfs/dbraw/zinc/63/03/69/649630369.db2.gz PBOFRRDIDRXTPC-KRWDZBQOSA-N 1 3 309.498 2.347 20 0 DEADHO CCO[C@@H](CCNC(=[NH2+])NC[C@H]1CCCN1CC)C1CCCC1 ZINC000083053315 649646556 /nfs/dbraw/zinc/64/65/56/649646556.db2.gz FUSPKGBQBFCNAR-SJORKVTESA-N 1 3 324.513 2.360 20 0 DEADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)[C@@]1(F)CC[NH2+]C1 ZINC000831827708 649647604 /nfs/dbraw/zinc/64/76/04/649647604.db2.gz UGTRHLICVYONNU-SJLPKXTDSA-N 1 3 319.424 2.031 20 0 DEADHO CN(C)C1(C(=O)N2CCC(C)([NH+]3CCCCC3)CC2)CCC1 ZINC000832225159 649687104 /nfs/dbraw/zinc/68/71/04/649687104.db2.gz OPKXSNKSHRJWAY-UHFFFAOYSA-N 1 3 307.482 2.338 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)N2CCC([C@H](C)[NH3+])CC2)cc(Cl)n1 ZINC000832592586 649727378 /nfs/dbraw/zinc/72/73/78/649727378.db2.gz ZNYZXZWRHLZANY-FZMZJTMJSA-N 1 3 324.856 2.019 20 0 DEADHO CCN1CCN(c2ccc(NC(=O)C3([NH3+])CCCC3)cc2)CC1 ZINC000844190945 651089489 /nfs/dbraw/zinc/08/94/89/651089489.db2.gz GQAZPVUQAXPVRW-UHFFFAOYSA-N 1 3 316.449 2.039 20 0 DEADHO [NH3+]CCCCCCN1CCN(c2ncnc3sccc32)CC1 ZINC000846221773 651316027 /nfs/dbraw/zinc/31/60/27/651316027.db2.gz OAKSTSNFGTVADS-UHFFFAOYSA-N 1 3 319.478 2.332 20 0 DEADHO COC(=O)/C=C\c1ccc(CN(C)CC2CC[NH+](C)CC2)o1 ZINC000848886751 651545417 /nfs/dbraw/zinc/54/54/17/651545417.db2.gz WGAHKMDABCOYMX-SREVYHEPSA-N 1 3 306.406 2.239 20 0 DEADHO COC(=O)/C=C/c1ccc(CNCC2CC[NH+](C3CC3)CC2)o1 ZINC000848907105 651554883 /nfs/dbraw/zinc/55/48/83/651554883.db2.gz IMRQIGHXESWNLV-VOTSOKGWSA-N 1 3 318.417 2.430 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCOc1cccc(C)c1 ZINC000848983311 651570238 /nfs/dbraw/zinc/57/02/38/651570238.db2.gz OIIWIHRAOYUKFR-MRXNPFEDSA-N 1 3 318.465 2.362 20 0 DEADHO CCN(C)c1ccccc1CNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000849006308 651579879 /nfs/dbraw/zinc/57/98/79/651579879.db2.gz VGBXYKDVFJXCBI-INIZCTEOSA-N 1 3 317.481 2.241 20 0 DEADHO CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@]2(O)CCN(C)C2)cc1 ZINC000849019224 651585080 /nfs/dbraw/zinc/58/50/80/651585080.db2.gz SQKITDJGKBUYRO-SUMWQHHRSA-N 1 3 304.438 2.203 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@]1(C)CC1(Cl)Cl ZINC000849035721 651590654 /nfs/dbraw/zinc/59/06/54/651590654.db2.gz OIMXIMRLUPNCLN-JQWIXIFHSA-N 1 3 307.269 2.169 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC000849038558 651591986 /nfs/dbraw/zinc/59/19/86/651591986.db2.gz RPZONRIXKHHDFP-HYVNUMGLSA-N 1 3 316.449 2.149 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC2(CCCC2)O1 ZINC000849049350 651595285 /nfs/dbraw/zinc/59/52/85/651595285.db2.gz MYQNDRQNOVIIPX-GJZGRUSLSA-N 1 3 308.470 2.076 20 0 DEADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H](C)CO)C2)ccn1 ZINC000856604235 651956917 /nfs/dbraw/zinc/95/69/17/651956917.db2.gz UUCKYCMLULVWHL-MAUKXSAKSA-N 1 3 321.465 2.003 20 0 DEADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H](C)CO)C2)ccn1 ZINC000856604235 651956919 /nfs/dbraw/zinc/95/69/19/651956919.db2.gz UUCKYCMLULVWHL-MAUKXSAKSA-N 1 3 321.465 2.003 20 0 DEADHO COC(=O)Cc1ccccc1C[N@@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000852104825 652340511 /nfs/dbraw/zinc/34/05/11/652340511.db2.gz GFVKGZRXBOTGIT-LJQANCHMSA-N 1 3 316.445 2.320 20 0 DEADHO COC(=O)Cc1ccccc1C[N@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000852104825 652340515 /nfs/dbraw/zinc/34/05/15/652340515.db2.gz GFVKGZRXBOTGIT-LJQANCHMSA-N 1 3 316.445 2.320 20 0 DEADHO C[C@@H]1CCCN(CC(=O)Nc2ccc(O)cc2)[C@@H]1CCC[NH3+] ZINC000852759255 652451764 /nfs/dbraw/zinc/45/17/64/652451764.db2.gz MNSVCBUAELVNRA-CZUORRHYSA-N 1 3 305.422 2.170 20 0 DEADHO O=C(C=C1CC[NH2+]CC1)N1CCCN(Cc2ccccc2)CC1 ZINC000852790471 652457413 /nfs/dbraw/zinc/45/74/13/652457413.db2.gz RBMAZTLNZQIXBI-UHFFFAOYSA-N 1 3 313.445 2.031 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2CCC[C@H]([NH2+]CCC3CC3)C2)CCC1 ZINC001390625904 1155818361 /nfs/dbraw/zinc/81/83/61/1155818361.db2.gz XVFUBXBNXPCOOJ-HOTGVXAUSA-N 1 3 307.482 2.288 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000396591352 685462902 /nfs/dbraw/zinc/46/29/02/685462902.db2.gz CJUNOMSOGWJKDA-WDSOQIARSA-N 1 3 317.477 2.008 20 0 DEADHO C[NH+]1CCC(NC[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000037887383 683884628 /nfs/dbraw/zinc/88/46/28/683884628.db2.gz NMVMTCALLASLQR-CQSZACIVSA-N 1 3 302.340 2.423 20 0 DEADHO CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001054198949 693879307 /nfs/dbraw/zinc/87/93/07/693879307.db2.gz KGGLSBODKVJVHL-FUHWJXTLSA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001054198949 693879310 /nfs/dbraw/zinc/87/93/10/693879310.db2.gz KGGLSBODKVJVHL-FUHWJXTLSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001054198495 693879353 /nfs/dbraw/zinc/87/93/53/693879353.db2.gz YHQPYJVGSREETJ-FUHWJXTLSA-N 1 3 307.482 2.053 20 0 DEADHO CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001054198495 693879355 /nfs/dbraw/zinc/87/93/55/693879355.db2.gz YHQPYJVGSREETJ-FUHWJXTLSA-N 1 3 307.482 2.053 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](CC3CCC3)C2)C1)N(C)C ZINC001054199260 693879512 /nfs/dbraw/zinc/87/95/12/693879512.db2.gz RGBYYBXFWNBHJS-HKUYNNGSSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1)N(C)C ZINC001054199260 693879515 /nfs/dbraw/zinc/87/95/15/693879515.db2.gz RGBYYBXFWNBHJS-HKUYNNGSSA-N 1 3 321.509 2.441 20 0 DEADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000245729892 685117528 /nfs/dbraw/zinc/11/75/28/685117528.db2.gz VXJQUFNIEDOPST-LSDHHAIUSA-N 1 3 311.470 2.317 20 0 DEADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000245729892 685117529 /nfs/dbraw/zinc/11/75/29/685117529.db2.gz VXJQUFNIEDOPST-LSDHHAIUSA-N 1 3 311.470 2.317 20 0 DEADHO C[C@H](c1ccc(F)nc1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000930114581 694093313 /nfs/dbraw/zinc/09/33/13/694093313.db2.gz NBNOLMXJRIEREH-CQSZACIVSA-N 1 3 308.445 2.240 20 0 DEADHO CC(C)[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccccn1 ZINC000866230850 687502605 /nfs/dbraw/zinc/50/26/05/687502605.db2.gz FQUOTRWZGWFCJW-SFHVURJKSA-N 1 3 304.482 2.396 20 0 DEADHO C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]C[C@H](O)CN1CCCC1 ZINC000866244750 687506310 /nfs/dbraw/zinc/50/63/10/687506310.db2.gz TYQSGJVABNMRBU-RPVQJOFSSA-N 1 3 306.425 2.495 20 0 DEADHO CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001016611574 687664943 /nfs/dbraw/zinc/66/49/43/687664943.db2.gz DSRGOHZLHVQQAP-CVEARBPZSA-N 1 3 307.482 2.240 20 0 DEADHO Cc1cc(C)cc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC001018617955 688186191 /nfs/dbraw/zinc/18/61/91/688186191.db2.gz ZHFISYBQMKTUIV-ZWKOTPCHSA-N 1 3 315.461 2.088 20 0 DEADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c(C)s1 ZINC001018617473 688186628 /nfs/dbraw/zinc/18/66/28/688186628.db2.gz WFJOQXQRJRKCDE-JKSUJKDBSA-N 1 3 321.490 2.150 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC001018971844 688264507 /nfs/dbraw/zinc/26/45/07/688264507.db2.gz WQISVLSXXOVKMP-KRWDZBQOSA-N 1 3 315.461 2.170 20 0 DEADHO COc1ccc2c(c1)C[C@@H](C[N@@H+]1CC[C@@]3(CCN(C)C3)C1)O2 ZINC000930557678 694189401 /nfs/dbraw/zinc/18/94/01/694189401.db2.gz IUNLDPYCZRZHCK-FUHWJXTLSA-N 1 3 302.418 2.026 20 0 DEADHO COc1ccc2c(c1)C[C@@H](C[N@H+]1CC[C@@]3(CCN(C)C3)C1)O2 ZINC000930557678 694189404 /nfs/dbraw/zinc/18/94/04/694189404.db2.gz IUNLDPYCZRZHCK-FUHWJXTLSA-N 1 3 302.418 2.026 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001019382973 688342975 /nfs/dbraw/zinc/34/29/75/688342975.db2.gz RGPHLESRBIAMPI-AEFFLSMTSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001019382974 688343490 /nfs/dbraw/zinc/34/34/90/688343490.db2.gz RGPHLESRBIAMPI-WMZOPIPTSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)C1)N(C)C ZINC001019394310 688345401 /nfs/dbraw/zinc/34/54/01/688345401.db2.gz FCCQDLCKXPYCQM-HOTGVXAUSA-N 1 3 323.868 2.371 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cc(C)sc2C)C1)N(C)C ZINC001019396028 688346198 /nfs/dbraw/zinc/34/61/98/688346198.db2.gz MDQWBQRYANYMMF-HOTGVXAUSA-N 1 3 323.506 2.396 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000870872908 688673638 /nfs/dbraw/zinc/67/36/38/688673638.db2.gz QEQUDCZHMPGBKM-DZOHQFGASA-N 1 3 315.461 2.456 20 0 DEADHO CC(C)(C)[C@@]1(CN)CC[N@H+](C[C@H]2CC3(CO2)CCOCC3)C1 ZINC000872144964 688935899 /nfs/dbraw/zinc/93/58/99/688935899.db2.gz JUBZQFDVVMUQIL-CRAIPNDOSA-N 1 3 310.482 2.269 20 0 DEADHO CC(C)(C)[C@@]1(CN)CC[N@@H+](C[C@H]2CC3(CO2)CCOCC3)C1 ZINC000872144964 688935902 /nfs/dbraw/zinc/93/59/02/688935902.db2.gz JUBZQFDVVMUQIL-CRAIPNDOSA-N 1 3 310.482 2.269 20 0 DEADHO CC[C@H](C)C[NH+]1CC(CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001032026962 689044873 /nfs/dbraw/zinc/04/48/73/689044873.db2.gz LIXQXMFESIOSHJ-RDJZCZTQSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1cccc([C@@H](C)N2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001032185640 689079920 /nfs/dbraw/zinc/07/99/20/689079920.db2.gz AQXOJULCNSJWDA-QAPCUYQASA-N 1 3 315.461 2.056 20 0 DEADHO Cc1cccc([C@@H](C)N2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001032185640 689079922 /nfs/dbraw/zinc/07/99/22/689079922.db2.gz AQXOJULCNSJWDA-QAPCUYQASA-N 1 3 315.461 2.056 20 0 DEADHO CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001032405747 689142271 /nfs/dbraw/zinc/14/22/71/689142271.db2.gz RJJSVTKWSBDSRE-NJAFHUGGSA-N 1 3 319.493 2.336 20 0 DEADHO CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001032405747 689142273 /nfs/dbraw/zinc/14/22/73/689142273.db2.gz RJJSVTKWSBDSRE-NJAFHUGGSA-N 1 3 319.493 2.336 20 0 DEADHO c1c(CN2CCS[C@H]3COCC[C@H]32)sc2c1C[NH2+]CC2 ZINC000873208652 689183410 /nfs/dbraw/zinc/18/34/10/689183410.db2.gz ZPGOAENUGXIQOM-HIFRSBDPSA-N 1 3 310.488 2.100 20 0 DEADHO c1c(CN2CCS[C@@H]3COCC[C@H]32)sc2c1C[NH2+]CC2 ZINC000873208653 689183495 /nfs/dbraw/zinc/18/34/95/689183495.db2.gz ZPGOAENUGXIQOM-UKRRQHHQSA-N 1 3 310.488 2.100 20 0 DEADHO CCCC[C@H](COC)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873218555 689186185 /nfs/dbraw/zinc/18/61/85/689186185.db2.gz JSJFVIIXOSZERZ-OAHLLOKOSA-N 1 3 317.437 2.021 20 0 DEADHO NCc1cn(-c2cccc(C[NH2+][C@H]3CC[C@@H]3C3CCC3)c2)nn1 ZINC000873245214 689192579 /nfs/dbraw/zinc/19/25/79/689192579.db2.gz XXRZQFHHNNQVFM-MSOLQXFVSA-N 1 3 311.433 2.394 20 0 DEADHO NCc1cn(-c2cccc(C[NH2+][C@@H]3CC[C@H]3C3CCC3)c2)nn1 ZINC000873245218 689192630 /nfs/dbraw/zinc/19/26/30/689192630.db2.gz XXRZQFHHNNQVFM-ZWKOTPCHSA-N 1 3 311.433 2.394 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2=CCCCC2)C1 ZINC001032781453 689259417 /nfs/dbraw/zinc/25/94/17/689259417.db2.gz WBBLHIBGWLRZBX-SQNIBIBYSA-N 1 3 317.477 2.114 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2=CCCCC2)C1 ZINC001032781453 689259422 /nfs/dbraw/zinc/25/94/22/689259422.db2.gz WBBLHIBGWLRZBX-SQNIBIBYSA-N 1 3 317.477 2.114 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCCF)C1 ZINC001033472060 689513195 /nfs/dbraw/zinc/51/31/95/689513195.db2.gz RGUAXYYXOCOKTL-HZPDHXFCSA-N 1 3 313.461 2.142 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCCF)C1 ZINC001033472060 689513196 /nfs/dbraw/zinc/51/31/96/689513196.db2.gz RGUAXYYXOCOKTL-HZPDHXFCSA-N 1 3 313.461 2.142 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCCF)C1 ZINC001033472061 689513689 /nfs/dbraw/zinc/51/36/89/689513689.db2.gz RGUAXYYXOCOKTL-JKSUJKDBSA-N 1 3 313.461 2.142 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCCF)C1 ZINC001033472061 689513691 /nfs/dbraw/zinc/51/36/91/689513691.db2.gz RGUAXYYXOCOKTL-JKSUJKDBSA-N 1 3 313.461 2.142 20 0 DEADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCN(CC=C(C)C)C1 ZINC001033832992 689631068 /nfs/dbraw/zinc/63/10/68/689631068.db2.gz CEAVWBFRJGZUAD-IXDOHACOSA-N 1 3 307.482 2.216 20 0 DEADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCN(CC=C(C)C)C1 ZINC001033832992 689631072 /nfs/dbraw/zinc/63/10/72/689631072.db2.gz CEAVWBFRJGZUAD-IXDOHACOSA-N 1 3 307.482 2.216 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CCCF)C1 ZINC001034204317 689761493 /nfs/dbraw/zinc/76/14/93/689761493.db2.gz LYVRQPWXAXXJCV-HZPDHXFCSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCCF)C1 ZINC001034204317 689761497 /nfs/dbraw/zinc/76/14/97/689761497.db2.gz LYVRQPWXAXXJCV-HZPDHXFCSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001034205001 689761752 /nfs/dbraw/zinc/76/17/52/689761752.db2.gz RWMDGQFXZZYZTF-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001034205001 689761755 /nfs/dbraw/zinc/76/17/55/689761755.db2.gz RWMDGQFXZZYZTF-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001034331652 689812187 /nfs/dbraw/zinc/81/21/87/689812187.db2.gz UUWZWQLILMFEQZ-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001034331652 689812192 /nfs/dbraw/zinc/81/21/92/689812192.db2.gz UUWZWQLILMFEQZ-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000876730967 689919196 /nfs/dbraw/zinc/91/91/96/689919196.db2.gz CHUKRULYVLMICC-ICAPBKMHSA-N 1 3 315.461 2.126 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001034971856 690000951 /nfs/dbraw/zinc/00/09/51/690000951.db2.gz XLPUFVNEJHCJNT-IAGOWNOFSA-N 1 3 321.440 2.247 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)C[C@@H]1CCC[NH2+]1 ZINC000877033154 690002661 /nfs/dbraw/zinc/00/26/61/690002661.db2.gz RGDOPTJDSCFMLJ-YXJHDRRASA-N 1 3 313.445 2.271 20 0 DEADHO ClC1(Cl)C[C@H]1C[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000877054936 690009035 /nfs/dbraw/zinc/00/90/35/690009035.db2.gz LUPIGVZQEWSDLL-NEPJUHHUSA-N 1 3 307.265 2.271 20 0 DEADHO Nc1c(Cl)cccc1C[NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000877091085 690016147 /nfs/dbraw/zinc/01/61/47/690016147.db2.gz ZPRWKCYAZQBNPE-HZPDHXFCSA-N 1 3 323.868 2.390 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(C)c1)N(C)C ZINC001035052599 690022156 /nfs/dbraw/zinc/02/21/56/690022156.db2.gz QYBHGQDGLCZOCQ-MSOLQXFVSA-N 1 3 317.477 2.416 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001035062068 690023335 /nfs/dbraw/zinc/02/33/35/690023335.db2.gz DVUIADVENPXFHF-MRXNPFEDSA-N 1 3 316.449 2.113 20 0 DEADHO CC(C)=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001035166819 690046553 /nfs/dbraw/zinc/04/65/53/690046553.db2.gz UNXGQFJNJKYGNZ-QGZVFWFLSA-N 1 3 319.493 2.361 20 0 DEADHO CC(C)=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001035166819 690046555 /nfs/dbraw/zinc/04/65/55/690046555.db2.gz UNXGQFJNJKYGNZ-QGZVFWFLSA-N 1 3 319.493 2.361 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3C[C@H]([NH3+])C3(C)C)C2)cc1 ZINC000877220600 690048976 /nfs/dbraw/zinc/04/89/76/690048976.db2.gz IKRHYWXWWRTIFL-BBWFWOEESA-N 1 3 315.461 2.059 20 0 DEADHO CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)N(C)C)CC2 ZINC001035193709 690056931 /nfs/dbraw/zinc/05/69/31/690056931.db2.gz NHXAPRQRYSTITP-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)N(C)C)CC2 ZINC001035193709 690056934 /nfs/dbraw/zinc/05/69/34/690056934.db2.gz NHXAPRQRYSTITP-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@H]1C)CC2 ZINC001035228321 690066743 /nfs/dbraw/zinc/06/67/43/690066743.db2.gz IMFRYABGVXCWMT-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@H]1C)CC2 ZINC001035228321 690066747 /nfs/dbraw/zinc/06/67/47/690066747.db2.gz IMFRYABGVXCWMT-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO [NH3+][C@H](CC1CCCCC1)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000877341556 690081833 /nfs/dbraw/zinc/08/18/33/690081833.db2.gz UNAWCRYXPXUWDM-ZWKOTPCHSA-N 1 3 315.461 2.115 20 0 DEADHO CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001035722670 690161713 /nfs/dbraw/zinc/16/17/13/690161713.db2.gz YYLRMXADPYGUTP-MRXNPFEDSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[NH+]1CC2(C1)CCN(C(=O)CN1CCC(C)(C)C1)CC2 ZINC001035797924 690178749 /nfs/dbraw/zinc/17/87/49/690178749.db2.gz JNRYMQQJULEZMR-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO COCCN(Cc1ccccc1OC)CC1CC[NH+](C)CC1 ZINC000877665138 690183505 /nfs/dbraw/zinc/18/35/05/690183505.db2.gz IWAOVMFBCNROKX-UHFFFAOYSA-N 1 3 306.450 2.485 20 0 DEADHO CN1CCN(C2CC[NH+](Cc3cc4cccnc4o3)CC2)CC1 ZINC000877746847 690213695 /nfs/dbraw/zinc/21/36/95/690213695.db2.gz ZGIVWBDGXHPSJY-UHFFFAOYSA-N 1 3 314.433 2.040 20 0 DEADHO C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@@H]1[NH2+]CC1CC1 ZINC001036027652 690238819 /nfs/dbraw/zinc/23/88/19/690238819.db2.gz IUPOERXWLBQUJV-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@@H]1[NH2+]CCF ZINC001036027038 690238916 /nfs/dbraw/zinc/23/89/16/690238916.db2.gz FPSXEIJNOASJPH-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H]1C[C@H](c2ccccc2)CN1CC(=O)NC1CC[NH+](C)CC1 ZINC000878107866 690312881 /nfs/dbraw/zinc/31/28/81/690312881.db2.gz BHMKXGSHTKIJFI-RDJZCZTQSA-N 1 3 315.461 2.075 20 0 DEADHO C[C@H](c1ccccc1)[C@H](O)CN1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931315662 694365154 /nfs/dbraw/zinc/36/51/54/694365154.db2.gz YZQWMPJWZRICKA-NXWXRZEISA-N 1 3 302.462 2.425 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CC3CC3)C2)CC1 ZINC001036854294 690499994 /nfs/dbraw/zinc/49/99/94/690499994.db2.gz IVXOKRVGTGRMDF-ZWKOTPCHSA-N 1 3 319.493 2.051 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CC3CC3)C2)CC1 ZINC001036854294 690499996 /nfs/dbraw/zinc/49/99/96/690499996.db2.gz IVXOKRVGTGRMDF-ZWKOTPCHSA-N 1 3 319.493 2.051 20 0 DEADHO C[C@@H](CN(C)CC(=O)NC1CC[NH+](C)CC1)C1CCCCC1 ZINC000879052870 690558386 /nfs/dbraw/zinc/55/83/86/690558386.db2.gz JKRWKWOHNIRPHK-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO CCC[C@H](C)NC(=O)[C@H](C)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248450 690602496 /nfs/dbraw/zinc/60/24/96/690602496.db2.gz OYPZSAZDFYITPY-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCCCNC(=O)[C@@H](C)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879247462 690602765 /nfs/dbraw/zinc/60/27/65/690602765.db2.gz AYUWQRNJZLZKOQ-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@H]1[NH2+]CC1CC1 ZINC001037951272 690647793 /nfs/dbraw/zinc/64/77/93/690647793.db2.gz RZSIYXDRKFPPGQ-QZTJIDSGSA-N 1 3 321.509 2.345 20 0 DEADHO CN1CC[C@@H]2C[N@H+](C[C@@H]3CCCN(C(=O)C(C)(C)C)C3)CC[C@H]21 ZINC000879578593 690679154 /nfs/dbraw/zinc/67/91/54/690679154.db2.gz FOSVUQGJRLFTPI-GVDBMIGSSA-N 1 3 321.509 2.297 20 0 DEADHO CN1CC[C@@H]2C[N@@H+](C[C@@H]3CCCN(C(=O)C(C)(C)C)C3)CC[C@H]21 ZINC000879578593 690679158 /nfs/dbraw/zinc/67/91/58/690679158.db2.gz FOSVUQGJRLFTPI-GVDBMIGSSA-N 1 3 321.509 2.297 20 0 DEADHO CN1CC[C@@H]2C[N@H+](C[C@@H]3CCCN(C(=O)C(C)(C)C)C3)CC[C@@H]21 ZINC000879578591 690679340 /nfs/dbraw/zinc/67/93/40/690679340.db2.gz FOSVUQGJRLFTPI-BBWFWOEESA-N 1 3 321.509 2.297 20 0 DEADHO CN1CC[C@@H]2C[N@@H+](C[C@@H]3CCCN(C(=O)C(C)(C)C)C3)CC[C@@H]21 ZINC000879578591 690679341 /nfs/dbraw/zinc/67/93/41/690679341.db2.gz FOSVUQGJRLFTPI-BBWFWOEESA-N 1 3 321.509 2.297 20 0 DEADHO C[NH+](C)CCc1ccc(C(=O)NC[C@H]2CCN2CC2CC2)cc1 ZINC001038705040 690901622 /nfs/dbraw/zinc/90/16/22/690901622.db2.gz OJOIEKBOWYHTPV-GOSISDBHSA-N 1 3 315.461 2.005 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001039132569 691030049 /nfs/dbraw/zinc/03/00/49/691030049.db2.gz ACDYXTDNISSWOA-QGZVFWFLSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001039132569 691030050 /nfs/dbraw/zinc/03/00/50/691030050.db2.gz ACDYXTDNISSWOA-QGZVFWFLSA-N 1 3 321.509 2.440 20 0 DEADHO CC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC001039165041 691037982 /nfs/dbraw/zinc/03/79/82/691037982.db2.gz JVOGBNGDZZWOPG-SFHVURJKSA-N 1 3 321.509 2.299 20 0 DEADHO CC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC001039165041 691037983 /nfs/dbraw/zinc/03/79/83/691037983.db2.gz JVOGBNGDZZWOPG-SFHVURJKSA-N 1 3 321.509 2.299 20 0 DEADHO O=C(CN1CCCC1)N1CCC([C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001039173216 691039006 /nfs/dbraw/zinc/03/90/06/691039006.db2.gz QKLPECDCVHOELE-GOSISDBHSA-N 1 3 319.493 2.053 20 0 DEADHO O=C(CN1CCCC1)N1CCC([C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001039173216 691039010 /nfs/dbraw/zinc/03/90/10/691039010.db2.gz QKLPECDCVHOELE-GOSISDBHSA-N 1 3 319.493 2.053 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCC1)N(C)C ZINC001039900101 691162390 /nfs/dbraw/zinc/16/23/90/691162390.db2.gz LCPFDRAUICIPRL-FGTMMUONSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCC1)N(C)C ZINC001039900101 691162394 /nfs/dbraw/zinc/16/23/94/691162394.db2.gz LCPFDRAUICIPRL-FGTMMUONSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC001040109128 691197767 /nfs/dbraw/zinc/19/77/67/691197767.db2.gz OYXNAYPGVXOKEJ-PKOBYXMFSA-N 1 3 319.493 2.361 20 0 DEADHO CC(C)=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC001040109128 691197770 /nfs/dbraw/zinc/19/77/70/691197770.db2.gz OYXNAYPGVXOKEJ-PKOBYXMFSA-N 1 3 319.493 2.361 20 0 DEADHO CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001040263192 691222558 /nfs/dbraw/zinc/22/25/58/691222558.db2.gz ZYTYYEFYUPIXNO-AEFFLSMTSA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001040263192 691222560 /nfs/dbraw/zinc/22/25/60/691222560.db2.gz ZYTYYEFYUPIXNO-AEFFLSMTSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040393065 691241025 /nfs/dbraw/zinc/24/10/25/691241025.db2.gz YCSMAKKUPKTCRN-LJQANCHMSA-N 1 3 321.509 2.443 20 0 DEADHO CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040393065 691241027 /nfs/dbraw/zinc/24/10/27/691241027.db2.gz YCSMAKKUPKTCRN-LJQANCHMSA-N 1 3 321.509 2.443 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC001040395021 691242485 /nfs/dbraw/zinc/24/24/85/691242485.db2.gz NQSLODVDOFCMGE-VQIMIIECSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC001040395021 691242486 /nfs/dbraw/zinc/24/24/86/691242486.db2.gz NQSLODVDOFCMGE-VQIMIIECSA-N 1 3 319.493 2.195 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001040397146 691242814 /nfs/dbraw/zinc/24/28/14/691242814.db2.gz YBSFSGADRHMHFH-SJLPKXTDSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001040397146 691242815 /nfs/dbraw/zinc/24/28/15/691242815.db2.gz YBSFSGADRHMHFH-SJLPKXTDSA-N 1 3 307.482 2.194 20 0 DEADHO CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001040401349 691243172 /nfs/dbraw/zinc/24/31/72/691243172.db2.gz ZYTYYEFYUPIXNO-FUHWJXTLSA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001040401349 691243175 /nfs/dbraw/zinc/24/31/75/691243175.db2.gz ZYTYYEFYUPIXNO-FUHWJXTLSA-N 1 3 309.498 2.441 20 0 DEADHO COc1ccccc1C[C@@](C)(CO)NCC[C@H]1CCC[N@@H+]1C ZINC000931602057 694436871 /nfs/dbraw/zinc/43/68/71/694436871.db2.gz AULGMAUBBGZTOZ-AEFFLSMTSA-N 1 3 306.450 2.063 20 0 DEADHO COc1ccccc1C[C@@](C)(CO)NCC[C@H]1CCC[N@H+]1C ZINC000931602057 694436873 /nfs/dbraw/zinc/43/68/73/694436873.db2.gz AULGMAUBBGZTOZ-AEFFLSMTSA-N 1 3 306.450 2.063 20 0 DEADHO CCCC[NH+]1CCC2(CCN(C(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001040746075 691284697 /nfs/dbraw/zinc/28/46/97/691284697.db2.gz VMXPPPFOSBEZPJ-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)C[NH+]1CCC2(CCN(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001040847950 691292714 /nfs/dbraw/zinc/29/27/14/691292714.db2.gz CYTDYLCVSCPOED-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N1CC[C@]2(CC[N@H+](CC3CCC3)C2)C1)N(C)C ZINC001041401401 691371633 /nfs/dbraw/zinc/37/16/33/691371633.db2.gz AXBUYIPVUYYYMC-AEFFLSMTSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CC3CCC3)C2)C1)N(C)C ZINC001041401401 691371638 /nfs/dbraw/zinc/37/16/38/691371638.db2.gz AXBUYIPVUYYYMC-AEFFLSMTSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001041674131 691408671 /nfs/dbraw/zinc/40/86/71/691408671.db2.gz IESYLTFQHSILRK-SJLPKXTDSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)C[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001041674131 691408672 /nfs/dbraw/zinc/40/86/72/691408672.db2.gz IESYLTFQHSILRK-SJLPKXTDSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CCC(C)C)C2)C1)N(C)C ZINC001041686975 691410347 /nfs/dbraw/zinc/41/03/47/691410347.db2.gz OIVBBOHKXITNTG-WMZOPIPTSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CCC(C)C)C2)C1)N(C)C ZINC001041686975 691410348 /nfs/dbraw/zinc/41/03/48/691410348.db2.gz OIVBBOHKXITNTG-WMZOPIPTSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001041757006 691424914 /nfs/dbraw/zinc/42/49/14/691424914.db2.gz OJDAEGQVAFEGDA-SFHVURJKSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[N@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001041757006 691424918 /nfs/dbraw/zinc/42/49/18/691424918.db2.gz OJDAEGQVAFEGDA-SFHVURJKSA-N 1 3 307.482 2.051 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001041845885 691444778 /nfs/dbraw/zinc/44/47/78/691444778.db2.gz QFOWTRPLJPUGCM-PKOBYXMFSA-N 1 3 319.493 2.195 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001041845885 691444782 /nfs/dbraw/zinc/44/47/82/691444782.db2.gz QFOWTRPLJPUGCM-PKOBYXMFSA-N 1 3 319.493 2.195 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@H]21 ZINC001042313622 691566633 /nfs/dbraw/zinc/56/66/33/691566633.db2.gz JNJDHKABDCMMGW-HUUCEWRRSA-N 1 3 318.465 2.266 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@H]21 ZINC001042313622 691566636 /nfs/dbraw/zinc/56/66/36/691566636.db2.gz JNJDHKABDCMMGW-HUUCEWRRSA-N 1 3 318.465 2.266 20 0 DEADHO CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H](N)CC2CC2)cc1 ZINC000884183263 691676334 /nfs/dbraw/zinc/67/63/34/691676334.db2.gz HNFFWMWLPHWQLX-KRWDZBQOSA-N 1 3 319.449 2.473 20 0 DEADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](N)CC1CC1 ZINC000884186057 691676765 /nfs/dbraw/zinc/67/67/65/691676765.db2.gz PAECTKGFMJTDPO-KRWDZBQOSA-N 1 3 303.450 2.270 20 0 DEADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](N)CC1CC1 ZINC000884186057 691676768 /nfs/dbraw/zinc/67/67/68/691676768.db2.gz PAECTKGFMJTDPO-KRWDZBQOSA-N 1 3 303.450 2.270 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2C[NH2+]CC2(C)C)C1 ZINC000884201357 691680935 /nfs/dbraw/zinc/68/09/35/691680935.db2.gz WFBTVRYVJCTDKY-HYVNUMGLSA-N 1 3 315.461 2.184 20 0 DEADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H](N)CC1CC1 ZINC000884309765 691706299 /nfs/dbraw/zinc/70/62/99/691706299.db2.gz FKPJWNWWLPSINS-KRWDZBQOSA-N 1 3 303.450 2.224 20 0 DEADHO CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CN(CC2CCCCC2)C1 ZINC001044186952 691785345 /nfs/dbraw/zinc/78/53/45/691785345.db2.gz VGZMDTILLQLNBA-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(CC2CCCCC2)C1 ZINC001044186952 691785346 /nfs/dbraw/zinc/78/53/46/691785346.db2.gz VGZMDTILLQLNBA-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CC3CC3)C[C@H]2C)CC1 ZINC001044790464 691887665 /nfs/dbraw/zinc/88/76/65/691887665.db2.gz CGCGHKVRCHKARJ-NVXWUHKLSA-N 1 3 307.482 2.097 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001044959795 691920641 /nfs/dbraw/zinc/92/06/41/691920641.db2.gz MXRDFAVGXHOQBD-IRXDYDNUSA-N 1 3 305.466 2.162 20 0 DEADHO CN(CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1)C1CCC1 ZINC001045070788 691935434 /nfs/dbraw/zinc/93/54/34/691935434.db2.gz VNJHEGUBZCAMGD-SFHVURJKSA-N 1 3 315.461 2.252 20 0 DEADHO CC1CCC(C[NH2+]C[C@@H]2CCCN2C(=O)Cc2c[nH]cn2)CC1 ZINC001045218209 691953287 /nfs/dbraw/zinc/95/32/87/691953287.db2.gz KZTPBCMIBXEKQQ-DQPZFDDXSA-N 1 3 318.465 2.359 20 0 DEADHO O=C(CN1CCCC1)N1CCC[C@H]1C[NH2+]Cc1ccccc1F ZINC001045310198 691961894 /nfs/dbraw/zinc/96/18/94/691961894.db2.gz JLFMWZBZIZTRNP-INIZCTEOSA-N 1 3 319.424 2.002 20 0 DEADHO CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001045942880 692058770 /nfs/dbraw/zinc/05/87/70/692058770.db2.gz BXHZRKLQQWCTOD-IEBWSBKVSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001045942880 692058771 /nfs/dbraw/zinc/05/87/71/692058771.db2.gz BXHZRKLQQWCTOD-IEBWSBKVSA-N 1 3 321.509 2.441 20 0 DEADHO C[N@@H+]1CC[C@H](NC[C@H](O)Cc2ccccc2F)[C@@H]2CCC[C@H]21 ZINC000886675129 692157149 /nfs/dbraw/zinc/15/71/49/692157149.db2.gz XNFHVYNDNKYQBC-MXSMSXNCSA-N 1 3 306.425 2.192 20 0 DEADHO C[N@H+]1CC[C@H](NC[C@H](O)Cc2ccccc2F)[C@@H]2CCC[C@H]21 ZINC000886675129 692157151 /nfs/dbraw/zinc/15/71/51/692157151.db2.gz XNFHVYNDNKYQBC-MXSMSXNCSA-N 1 3 306.425 2.192 20 0 DEADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(CCSC(F)(F)F)CC1 ZINC000886839274 692206675 /nfs/dbraw/zinc/20/66/75/692206675.db2.gz ALNUEVSZCOCEDR-NWDGAFQWSA-N 1 3 312.401 2.458 20 0 DEADHO CCOC(=O)CCCCN1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887132322 692287259 /nfs/dbraw/zinc/28/72/59/692287259.db2.gz CPVMBLMNXOTAIW-OAHLLOKOSA-N 1 3 305.422 2.326 20 0 DEADHO C[C@H]([NH2+]CC1CC(C)(C)C1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048067118 692542052 /nfs/dbraw/zinc/54/20/52/692542052.db2.gz ROBTUCMPXUSRQO-RDJZCZTQSA-N 1 3 321.509 2.345 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC)CC1 ZINC001048606464 692657918 /nfs/dbraw/zinc/65/79/18/692657918.db2.gz NHXOFJXTPXKKCO-ULQDDVLXSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@]1(C2CC[NH+](CCCN3CCCCC3)CC2)COC(=O)N1 ZINC000932099292 694545965 /nfs/dbraw/zinc/54/59/65/694545965.db2.gz SDUCKOKLCROCKP-QGZVFWFLSA-N 1 3 309.454 2.073 20 0 DEADHO CCC(CC)C[N@H+]1C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001048860446 692711855 /nfs/dbraw/zinc/71/18/55/692711855.db2.gz UUGMNDDXBSKZFA-CALCHBBNSA-N 1 3 321.509 2.297 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001048860446 692711858 /nfs/dbraw/zinc/71/18/58/692711858.db2.gz UUGMNDDXBSKZFA-CALCHBBNSA-N 1 3 321.509 2.297 20 0 DEADHO CCC(CC)C[N@H+]1C[C@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C1 ZINC001049057758 692754023 /nfs/dbraw/zinc/75/40/23/692754023.db2.gz RRGGFNJGWAKVJX-RYQLBKOJSA-N 1 3 321.509 2.297 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C1 ZINC001049057758 692754026 /nfs/dbraw/zinc/75/40/26/692754026.db2.gz RRGGFNJGWAKVJX-RYQLBKOJSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CC1 ZINC001049463784 692890610 /nfs/dbraw/zinc/89/06/10/692890610.db2.gz JHMJKAXRNUJHAV-FGTMMUONSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CC1 ZINC001049463784 692890612 /nfs/dbraw/zinc/89/06/12/692890612.db2.gz JHMJKAXRNUJHAV-FGTMMUONSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCC1)N(C)C ZINC001049713037 692972819 /nfs/dbraw/zinc/97/28/19/692972819.db2.gz WNXADYCKCLLYQB-RCCFBDPRSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CCC1)N(C)C ZINC001049713037 692972820 /nfs/dbraw/zinc/97/28/20/692972820.db2.gz WNXADYCKCLLYQB-RCCFBDPRSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049849744 693022180 /nfs/dbraw/zinc/02/21/80/693022180.db2.gz PRROHQJMXDZRNY-CABCVRRESA-N 1 3 318.465 2.409 20 0 DEADHO CC(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049849744 693022184 /nfs/dbraw/zinc/02/21/84/693022184.db2.gz PRROHQJMXDZRNY-CABCVRRESA-N 1 3 318.465 2.409 20 0 DEADHO C[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc(C(C)(C)O)cc1 ZINC000924757253 693182182 /nfs/dbraw/zinc/18/21/82/693182182.db2.gz SCVWRSYOJKEPFP-HNNXBMFYSA-N 1 3 320.477 2.411 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)CC1 ZINC001050543411 693203977 /nfs/dbraw/zinc/20/39/77/693203977.db2.gz JNFGPXVCZFGJPS-WBVHZDCISA-N 1 3 321.509 2.297 20 0 DEADHO CN1CCC[N@H+](CCCN[C@@H]2CCc3c2nccc3Cl)CC1 ZINC000924966979 693207916 /nfs/dbraw/zinc/20/79/16/693207916.db2.gz SISZNAFPXAUKDF-MRXNPFEDSA-N 1 3 322.884 2.340 20 0 DEADHO CN1CCC[N@@H+](CCCN[C@@H]2CCc3c2nccc3Cl)CC1 ZINC000924966979 693207919 /nfs/dbraw/zinc/20/79/19/693207919.db2.gz SISZNAFPXAUKDF-MRXNPFEDSA-N 1 3 322.884 2.340 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C1)CC[NH+](CCC(C)C)CC2)N(C)C ZINC001050667977 693228161 /nfs/dbraw/zinc/22/81/61/693228161.db2.gz FGZWRXLYLVSOJS-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO O=C(CCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)N1CCCCC1 ZINC000925472618 693278268 /nfs/dbraw/zinc/27/82/68/693278268.db2.gz DQBHFDAWULQUDG-IRXDYDNUSA-N 1 3 307.482 2.147 20 0 DEADHO COc1cccc(N2CC[C@H](N[C@@H]3C[C@H]([NH3+])C34CCC4)C2)c1 ZINC000925477033 693278807 /nfs/dbraw/zinc/27/88/07/693278807.db2.gz KTFXHRVDHWEHQV-RRQGHBQHSA-N 1 3 301.434 2.133 20 0 DEADHO CC1(C)[C@H](NC[C@@H](CO)Cc2ccc(F)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925500872 693283669 /nfs/dbraw/zinc/28/36/69/693283669.db2.gz GYUGVRQKDSMIAI-XOYOTBSWSA-N 1 3 320.452 2.343 20 0 DEADHO CC1(C)[C@H]([NH2+]C[C@@H](CO)Cc2ccc(F)cc2)[C@@H]2CCCN[C@@H]21 ZINC000925500872 693283672 /nfs/dbraw/zinc/28/36/72/693283672.db2.gz GYUGVRQKDSMIAI-XOYOTBSWSA-N 1 3 320.452 2.343 20 0 DEADHO CC1(C)C[C@@H]([NH3+])C[C@H](NCc2ccccc2Cn2cncn2)C1 ZINC000925533212 693290672 /nfs/dbraw/zinc/29/06/72/693290672.db2.gz YWMLJYUDJUQHLA-IRXDYDNUSA-N 1 3 313.449 2.322 20 0 DEADHO CCOC(=O)N1CCC([NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925538491 693292114 /nfs/dbraw/zinc/29/21/14/693292114.db2.gz RGMRMZFUYNOOSA-IAGOWNOFSA-N 1 3 323.481 2.365 20 0 DEADHO [NH3+]CCC[C@H](NC[C@H]1CCCCS1(=O)=O)c1ccccc1 ZINC000925635376 693313773 /nfs/dbraw/zinc/31/37/73/693313773.db2.gz QFVPPINHWMYJSQ-CVEARBPZSA-N 1 3 310.463 2.024 20 0 DEADHO CC(C)c1nnc2n1C[C@H](N[C@@H]1[C@@H]3CCC[NH2+][C@@H]3C1(C)C)CC2 ZINC000925636509 693313939 /nfs/dbraw/zinc/31/39/39/693313939.db2.gz SWVPAYAXMLBMDP-LUYZLQTOSA-N 1 3 317.481 2.083 20 0 DEADHO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H]1[C@@H]3CCCN[C@@H]3C1(C)C)CC2 ZINC000925636509 693313945 /nfs/dbraw/zinc/31/39/45/693313945.db2.gz SWVPAYAXMLBMDP-LUYZLQTOSA-N 1 3 317.481 2.083 20 0 DEADHO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H]2CCNC23CCC3)C1 ZINC000925646505 693315864 /nfs/dbraw/zinc/31/58/64/693315864.db2.gz VPHALQWGBCBRLY-QLFBSQMISA-N 1 3 309.454 2.118 20 0 DEADHO COCCOc1ccc([C@@H](C)NCCC(C)(C)[NH3+])cc1OC ZINC000925739884 693333425 /nfs/dbraw/zinc/33/34/25/693333425.db2.gz ANPZSNQHFRTALT-CYBMUJFWSA-N 1 3 310.438 2.498 20 0 DEADHO Nc1ccnc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000925767125 693338252 /nfs/dbraw/zinc/33/82/52/693338252.db2.gz MYROPGGNBIAOGY-FUHWJXTLSA-N 1 3 310.401 2.009 20 0 DEADHO CC1(C)C[C@H](N)C[C@@H]([NH2+]CCc2ccccc2S(C)(=O)=O)C1 ZINC000925828882 693348727 /nfs/dbraw/zinc/34/87/27/693348727.db2.gz JJKITOREYJYNHN-HUUCEWRRSA-N 1 3 324.490 2.128 20 0 DEADHO CC1(C)C[C@H]([NH3+])C[C@@H](NCCc2ccccc2S(C)(=O)=O)C1 ZINC000925828882 693348732 /nfs/dbraw/zinc/34/87/32/693348732.db2.gz JJKITOREYJYNHN-HUUCEWRRSA-N 1 3 324.490 2.128 20 0 DEADHO C[C@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(F)c(F)c1 ZINC000925855408 693355030 /nfs/dbraw/zinc/35/50/30/693355030.db2.gz OFLFGHHDNXRJFE-AAEUAGOBSA-N 1 3 324.371 2.301 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000926702629 693494887 /nfs/dbraw/zinc/49/48/87/693494887.db2.gz PHPBKCWVAKKDSR-YMNIQUSHSA-N 1 3 300.446 2.489 20 0 DEADHO CCN1CCC[C@@H](N[C@@H](C)c2cccc(C[NH+](C)C)c2)C1=O ZINC000926898842 693526641 /nfs/dbraw/zinc/52/66/41/693526641.db2.gz HDBQLCLDAYUJKU-WMLDXEAASA-N 1 3 303.450 2.410 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001052702283 693599371 /nfs/dbraw/zinc/59/93/71/693599371.db2.gz LYDCYKRASMEHGH-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001052702283 693599374 /nfs/dbraw/zinc/59/93/74/693599374.db2.gz LYDCYKRASMEHGH-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC001052896377 693643667 /nfs/dbraw/zinc/64/36/67/693643667.db2.gz BHDFCRLMOYJVFC-INIZCTEOSA-N 1 3 318.465 2.422 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC001052896377 693643669 /nfs/dbraw/zinc/64/36/69/693643669.db2.gz BHDFCRLMOYJVFC-INIZCTEOSA-N 1 3 318.465 2.422 20 0 DEADHO CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053029006 693672979 /nfs/dbraw/zinc/67/29/79/693672979.db2.gz OSMMEGDJGIZEKE-IAGOWNOFSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053029006 693672981 /nfs/dbraw/zinc/67/29/81/693672981.db2.gz OSMMEGDJGIZEKE-IAGOWNOFSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[NH2+][C@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001402321651 1162324716 /nfs/dbraw/zinc/32/47/16/1162324716.db2.gz FZDOOWWIKZRZPH-RHSMWYFYSA-N 1 3 313.461 2.092 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]([NH2+]Cc1ccccc1)C1CC1 ZINC001402377412 1162336794 /nfs/dbraw/zinc/33/67/94/1162336794.db2.gz NZQWDVCPNOOOOC-KRWDZBQOSA-N 1 3 303.450 2.011 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)[C@H]1CCCN(C)C1 ZINC001334126011 1150204621 /nfs/dbraw/zinc/20/46/21/1150204621.db2.gz NKOSLHPOFCYBJN-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(C)[C@H]1CCCN(C)C1 ZINC001334126011 1150204628 /nfs/dbraw/zinc/20/46/28/1150204628.db2.gz NKOSLHPOFCYBJN-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO C[NH2+]CCCCC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001353508812 1151835183 /nfs/dbraw/zinc/83/51/83/1151835183.db2.gz ORNSJDQUFJDJJQ-NVXWUHKLSA-N 1 3 303.450 2.328 20 0 DEADHO c1ccc(CN2CCN(CCCNc3cc[nH+]cc3)CC2)cc1 ZINC001354012899 1151867186 /nfs/dbraw/zinc/86/71/86/1151867186.db2.gz YHHQMFKQQFGTEJ-UHFFFAOYSA-N 1 3 310.445 2.123 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001379808268 1152699516 /nfs/dbraw/zinc/69/95/16/1152699516.db2.gz QETDILYDPHYNQP-SJORKVTESA-N 1 3 309.498 2.393 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001361750930 1152731411 /nfs/dbraw/zinc/73/14/11/1152731411.db2.gz LIFGWGFGLQYATJ-ZFWWWQNUSA-N 1 3 319.449 2.426 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001361750930 1152731412 /nfs/dbraw/zinc/73/14/12/1152731412.db2.gz LIFGWGFGLQYATJ-ZFWWWQNUSA-N 1 3 319.449 2.426 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CC1CC2(CCC2)C1)N(C)C ZINC001380021336 1152732767 /nfs/dbraw/zinc/73/27/67/1152732767.db2.gz OXPWZHDMYIJKNT-DLBZAZTESA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+]1CC1CC2(CCC2)C1)N(C)C ZINC001380021336 1152732768 /nfs/dbraw/zinc/73/27/68/1152732768.db2.gz OXPWZHDMYIJKNT-DLBZAZTESA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C1CC([NH2+]CCC(F)(F)F)C1)N(C)C ZINC001380156942 1152759042 /nfs/dbraw/zinc/75/90/42/1152759042.db2.gz MPWSCVSZSAQQDM-BPCQOVAHSA-N 1 3 323.403 2.104 20 0 DEADHO CCCN(C)CC(=O)NC1(C2CC[NH+](CC3CCC3)CC2)CC1 ZINC001380183968 1152763953 /nfs/dbraw/zinc/76/39/53/1152763953.db2.gz MPMKKKUQDAUGQM-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@H+](C[C@@H](F)CC)C2)C1 ZINC001380208642 1152768479 /nfs/dbraw/zinc/76/84/79/1152768479.db2.gz YPEFDHYQJFEYCI-RDJZCZTQSA-N 1 3 313.461 2.001 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@@H+](C[C@@H](F)CC)C2)C1 ZINC001380208642 1152768481 /nfs/dbraw/zinc/76/84/81/1152768481.db2.gz YPEFDHYQJFEYCI-RDJZCZTQSA-N 1 3 313.461 2.001 20 0 DEADHO CCC(CC)CN1CC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001380228220 1152771978 /nfs/dbraw/zinc/77/19/78/1152771978.db2.gz DOYZHIDQXHXHGY-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CCC(CC)CN1CC(N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001380228220 1152771979 /nfs/dbraw/zinc/77/19/79/1152771979.db2.gz DOYZHIDQXHXHGY-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CN(CC(=O)N1CC[C@](C)(C[NH2+]CC2CC2)C1)CC(C)(C)C ZINC001380421151 1152809716 /nfs/dbraw/zinc/80/97/16/1152809716.db2.gz IQPNYZGJXLEYPE-GOSISDBHSA-N 1 3 309.498 2.203 20 0 DEADHO CC[C@H](C(=O)NCC1(C)CC[NH+](CC2CCC2)CC1)N(C)C ZINC001380446751 1152813294 /nfs/dbraw/zinc/81/32/94/1152813294.db2.gz AXOSHNZMHRVFLQ-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001381012101 1152892327 /nfs/dbraw/zinc/89/23/27/1152892327.db2.gz NSQACLCAHAHHFB-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NC[C@H]3N(C)CCCC3(C)C)C[N@@H+]2C1 ZINC001362429226 1152903198 /nfs/dbraw/zinc/90/31/98/1152903198.db2.gz WRTCBPCESRDVBC-LTIDMASMSA-N 1 3 321.509 2.343 20 0 DEADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NC[C@H]3N(C)CCCC3(C)C)C[N@H+]2C1 ZINC001362429226 1152903201 /nfs/dbraw/zinc/90/32/01/1152903201.db2.gz WRTCBPCESRDVBC-LTIDMASMSA-N 1 3 321.509 2.343 20 0 DEADHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccccc1 ZINC001381212883 1152953145 /nfs/dbraw/zinc/95/31/45/1152953145.db2.gz COAGBEFPYGCUFD-HOTGVXAUSA-N 1 3 303.450 2.013 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C1C[NH+](CCC(C)(C)C)C1 ZINC001381801822 1153229871 /nfs/dbraw/zinc/22/98/71/1153229871.db2.gz FOMPLILRWIHVFT-LBPRGKRZSA-N 1 3 306.454 2.133 20 0 DEADHO CCC[N@@H+]1CCCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001381930163 1153277904 /nfs/dbraw/zinc/27/79/04/1153277904.db2.gz KNXOGEZCSITDFY-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CCC[N@H+]1CCCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001381930163 1153277909 /nfs/dbraw/zinc/27/79/09/1153277909.db2.gz KNXOGEZCSITDFY-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001382020988 1153320650 /nfs/dbraw/zinc/32/06/50/1153320650.db2.gz YJZKJQYUALDXMO-HSFUPAIVSA-N 1 3 321.509 2.247 20 0 DEADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1ccccc1F ZINC001382075265 1153347010 /nfs/dbraw/zinc/34/70/10/1153347010.db2.gz YFNBFPZATXHGNQ-IIAWOOMASA-N 1 3 321.440 2.102 20 0 DEADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1ccccc1F ZINC001382075265 1153347014 /nfs/dbraw/zinc/34/70/14/1153347014.db2.gz YFNBFPZATXHGNQ-IIAWOOMASA-N 1 3 321.440 2.102 20 0 DEADHO C[C@@H](CN(C)C(=O)CN(C)CC(C)(C)C)[NH2+]C/C=C/Cl ZINC001382118740 1153365046 /nfs/dbraw/zinc/36/50/46/1153365046.db2.gz JASUHPUTBDJPRC-GWJCSSMESA-N 1 3 303.878 2.153 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1)N(C)C ZINC001382124147 1153367221 /nfs/dbraw/zinc/36/72/21/1153367221.db2.gz LGZBVMBVCHQSRB-DOTOQJQBSA-N 1 3 305.466 2.209 20 0 DEADHO CCOC(=O)N1CCC([NH2+]CC[C@@H](C)N2CCCCC2)CC1 ZINC001363411262 1153385592 /nfs/dbraw/zinc/38/55/92/1153385592.db2.gz MOXGMELBPNHIRG-OAHLLOKOSA-N 1 3 311.470 2.461 20 0 DEADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)[C@@H]2C)cs1 ZINC001382311063 1153419947 /nfs/dbraw/zinc/41/99/47/1153419947.db2.gz QDKBWYRLAQVMFH-GDBMZVCRSA-N 1 3 323.506 2.476 20 0 DEADHO CC(C)CC[NH2+][C@H]1CN(C(=O)CN2CC[C@@H](C)C2)CC1(C)C ZINC001382368865 1153438108 /nfs/dbraw/zinc/43/81/08/1153438108.db2.gz MKVKUQZAORHKBB-CVEARBPZSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@H](C(=O)N1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@H]1C)[NH+](C)C ZINC001363768380 1153618386 /nfs/dbraw/zinc/61/83/86/1153618386.db2.gz DAFVACGXLSLXPA-YLFCFFPRSA-N 1 3 317.477 2.446 20 0 DEADHO Cc1ncsc1CCCN1CCC([NH+]2CCN(C)CC2)CC1 ZINC001363827885 1153652622 /nfs/dbraw/zinc/65/26/22/1153652622.db2.gz YAZSECSSAFMTHJ-UHFFFAOYSA-N 1 3 322.522 2.096 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001389846841 1155451467 /nfs/dbraw/zinc/45/14/67/1155451467.db2.gz MHXVLBSXDQXLRX-RBSFLKMASA-N 1 3 313.461 2.236 20 0 DEADHO CC(C)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1)N(C)C ZINC001389946033 1155478762 /nfs/dbraw/zinc/47/87/62/1155478762.db2.gz YYCNJXRTZZLHAO-HQSKLWIPSA-N 1 3 321.509 2.484 20 0 DEADHO CC(C)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1)N(C)C ZINC001389946033 1155478775 /nfs/dbraw/zinc/47/87/75/1155478775.db2.gz YYCNJXRTZZLHAO-HQSKLWIPSA-N 1 3 321.509 2.484 20 0 DEADHO CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)N1CCCC1 ZINC001390135289 1155540111 /nfs/dbraw/zinc/54/01/11/1155540111.db2.gz REUYEYPJVZSCQC-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)N1CCCC1 ZINC001390135289 1155540114 /nfs/dbraw/zinc/54/01/14/1155540114.db2.gz REUYEYPJVZSCQC-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001390395933 1155699503 /nfs/dbraw/zinc/69/95/03/1155699503.db2.gz JNZZXOLCALSDII-YJBOKZPZSA-N 1 3 319.493 2.430 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC001390512731 1155778316 /nfs/dbraw/zinc/77/83/16/1155778316.db2.gz XBEYPLSETGBMRL-ZDUSSCGKSA-N 1 3 311.857 2.276 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cccc(Cl)c1 ZINC001371207396 1155785904 /nfs/dbraw/zinc/78/59/04/1155785904.db2.gz XDYRRGLMMOULAM-ZDUSSCGKSA-N 1 3 323.868 2.419 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001390577990 1155806871 /nfs/dbraw/zinc/80/68/71/1155806871.db2.gz WXXQNINSZDQRRY-INIZCTEOSA-N 1 3 323.868 2.371 20 0 DEADHO Cc1ccc(F)cc1C[NH2+][C@H](C)CNC(=O)CN(C)C(C)C ZINC001371473126 1155857677 /nfs/dbraw/zinc/85/76/77/1155857677.db2.gz JHISZFLOFKXXIK-CQSZACIVSA-N 1 3 309.429 2.069 20 0 DEADHO C[C@H](c1ccc(F)cc1)N1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001391059538 1156076075 /nfs/dbraw/zinc/07/60/75/1156076075.db2.gz HAYUPWDRXQBBFD-RHSMWYFYSA-N 1 3 321.440 2.419 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1CC[N@H+](CC2CCC2)C1)N1CCCCCC1 ZINC001391099269 1156109611 /nfs/dbraw/zinc/10/96/11/1156109611.db2.gz UKCUOZHTAFSNNP-FUHWJXTLSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1CC[N@@H+](CC2CCC2)C1)N1CCCCCC1 ZINC001391099269 1156109651 /nfs/dbraw/zinc/10/96/51/1156109651.db2.gz UKCUOZHTAFSNNP-FUHWJXTLSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+](Cc2csc(C)c2)C1 ZINC001391112688 1156124208 /nfs/dbraw/zinc/12/42/08/1156124208.db2.gz PMLYKEAVFOIFFB-HNNXBMFYSA-N 1 3 323.506 2.336 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+](Cc2csc(C)c2)C1 ZINC001391112688 1156124212 /nfs/dbraw/zinc/12/42/12/1156124212.db2.gz PMLYKEAVFOIFFB-HNNXBMFYSA-N 1 3 323.506 2.336 20 0 DEADHO CCC[NH+](CCC)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001391134093 1156155391 /nfs/dbraw/zinc/15/53/91/1156155391.db2.gz QLELSAGXFCOINJ-QGZVFWFLSA-N 1 3 315.477 2.437 20 0 DEADHO CC(C)[C@H](C(=O)NCC[N@H+](C)[C@@H](C)c1ccccc1)N(C)C ZINC001372116116 1156228406 /nfs/dbraw/zinc/22/84/06/1156228406.db2.gz ROTHDAGXZSZIOU-DOTOQJQBSA-N 1 3 305.466 2.382 20 0 DEADHO CC(C)[C@H](C(=O)NCC[N@@H+](C)[C@@H](C)c1ccccc1)N(C)C ZINC001372116116 1156228421 /nfs/dbraw/zinc/22/84/21/1156228421.db2.gz ROTHDAGXZSZIOU-DOTOQJQBSA-N 1 3 305.466 2.382 20 0 DEADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)Cc1cccc(F)c1 ZINC001403132728 1162770031 /nfs/dbraw/zinc/77/00/31/1162770031.db2.gz XXBUZLZUEWJJKX-JJRVBVJISA-N 1 3 321.440 2.102 20 0 DEADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)Cc1cccc(F)c1 ZINC001403132728 1162770043 /nfs/dbraw/zinc/77/00/43/1162770043.db2.gz XXBUZLZUEWJJKX-JJRVBVJISA-N 1 3 321.440 2.102 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2)C1 ZINC001391360528 1156357265 /nfs/dbraw/zinc/35/72/65/1156357265.db2.gz RSPCSRGTFPQMHM-GOSISDBHSA-N 1 3 317.477 2.307 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC001391360528 1156357270 /nfs/dbraw/zinc/35/72/70/1156357270.db2.gz RSPCSRGTFPQMHM-GOSISDBHSA-N 1 3 317.477 2.307 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CCCF)C1 ZINC001391364049 1156360957 /nfs/dbraw/zinc/36/09/57/1156360957.db2.gz XYFZRTDECQLEGX-HZPDHXFCSA-N 1 3 313.461 2.001 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCCF)C1 ZINC001391364049 1156360961 /nfs/dbraw/zinc/36/09/61/1156360961.db2.gz XYFZRTDECQLEGX-HZPDHXFCSA-N 1 3 313.461 2.001 20 0 DEADHO Cc1cc(CN2CC[C@@H](NC(=O)CC[NH+](C)C)C2)c(C)s1 ZINC001391583284 1156560850 /nfs/dbraw/zinc/56/08/50/1156560850.db2.gz DRUXXSQZLNALLF-OAHLLOKOSA-N 1 3 309.479 2.007 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001391591495 1156578736 /nfs/dbraw/zinc/57/87/36/1156578736.db2.gz BWWDUUGZEUDPJA-QGZVFWFLSA-N 1 3 303.450 2.027 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001391591495 1156578745 /nfs/dbraw/zinc/57/87/45/1156578745.db2.gz BWWDUUGZEUDPJA-QGZVFWFLSA-N 1 3 303.450 2.027 20 0 DEADHO CC[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]C/C=C/Cl ZINC001391721047 1156736855 /nfs/dbraw/zinc/73/68/55/1156736855.db2.gz TWTMRNMLKNUNDX-SBDDDAINSA-N 1 3 301.862 2.098 20 0 DEADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)Cc1cccc(F)c1 ZINC001403175554 1162807670 /nfs/dbraw/zinc/80/76/70/1162807670.db2.gz VLJHHOCSCGTVCN-CQSZACIVSA-N 1 3 321.440 2.104 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CCc1ccc(C)cc1)N(C)C ZINC001403176374 1162808356 /nfs/dbraw/zinc/80/83/56/1162808356.db2.gz WAOQNIAUIGHTMO-AEFFLSMTSA-N 1 3 319.493 2.314 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CCc1ccc(C)cc1)N(C)C ZINC001403176374 1162808357 /nfs/dbraw/zinc/80/83/57/1162808357.db2.gz WAOQNIAUIGHTMO-AEFFLSMTSA-N 1 3 319.493 2.314 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)Cc2c[nH]cn2)cc1C ZINC001392104513 1156868548 /nfs/dbraw/zinc/86/85/48/1156868548.db2.gz HVZRZSQHFQYYCZ-HNNXBMFYSA-N 1 3 314.433 2.206 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)Cc2c[nH]cn2)cc1C ZINC001392104521 1156868566 /nfs/dbraw/zinc/86/85/66/1156868566.db2.gz HVZRZSQHFQYYCZ-OAHLLOKOSA-N 1 3 314.433 2.206 20 0 DEADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(F)c1 ZINC001392137323 1156873993 /nfs/dbraw/zinc/87/39/93/1156873993.db2.gz JAHXOPLEEGPWNB-AWEZNQCLSA-N 1 3 309.429 2.102 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CN2CCCC2)cc1C ZINC001392135454 1156874194 /nfs/dbraw/zinc/87/41/94/1156874194.db2.gz RQUUHUYWGZVZEX-KRWDZBQOSA-N 1 3 317.477 2.336 20 0 DEADHO CN(CCN(C)[C@@H]1CCc2ccc(F)cc21)C(=O)CC[NH+](C)C ZINC001392303070 1157004719 /nfs/dbraw/zinc/00/47/19/1157004719.db2.gz KIBOHTWYAZPFMB-QGZVFWFLSA-N 1 3 321.440 2.155 20 0 DEADHO CCc1ccccc1CN(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392327603 1157022720 /nfs/dbraw/zinc/02/27/20/1157022720.db2.gz RIKXXABNLHPBMB-GOSISDBHSA-N 1 3 317.477 2.091 20 0 DEADHO CCc1ccccc1CN(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392327603 1157022727 /nfs/dbraw/zinc/02/27/27/1157022727.db2.gz RIKXXABNLHPBMB-GOSISDBHSA-N 1 3 317.477 2.091 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CCC[N@H+](CC2CCC2)C1)N1CCCC1 ZINC001373407365 1157034289 /nfs/dbraw/zinc/03/42/89/1157034289.db2.gz MXFLROLFHLSZTI-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC2CCC2)C1)N1CCCC1 ZINC001373407365 1157034296 /nfs/dbraw/zinc/03/42/96/1157034296.db2.gz MXFLROLFHLSZTI-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](C(=O)NCC1C[NH+](CCCc2ccccc2)C1)N(C)C ZINC001373536401 1157085507 /nfs/dbraw/zinc/08/55/07/1157085507.db2.gz GQBTZZOYJFDFRW-SFHVURJKSA-N 1 3 317.477 2.007 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001392564680 1157138792 /nfs/dbraw/zinc/13/87/92/1157138792.db2.gz KNQYUEXPZWEBBW-FUHWJXTLSA-N 1 3 317.477 2.462 20 0 DEADHO CC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc1ccccc1F)N(C)C ZINC001373764125 1157349051 /nfs/dbraw/zinc/34/90/51/1157349051.db2.gz SQENGLXEMJYWMQ-GOEBONIOSA-N 1 3 309.429 2.150 20 0 DEADHO C[C@H](CN(C)C/C=C\c1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392725444 1157373855 /nfs/dbraw/zinc/37/38/55/1157373855.db2.gz MINGSGATWSQLDC-MVKGYNNESA-N 1 3 315.461 2.088 20 0 DEADHO C[C@H](CN(C)C/C=C\c1ccccc1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392725444 1157373864 /nfs/dbraw/zinc/37/38/64/1157373864.db2.gz MINGSGATWSQLDC-MVKGYNNESA-N 1 3 315.461 2.088 20 0 DEADHO CC[C@@H](F)C[NH+]1CCC(CCNC(=O)[C@H](CC)N(C)C)CC1 ZINC001373949003 1157492265 /nfs/dbraw/zinc/49/22/65/1157492265.db2.gz JURBOUQMLGOIEP-CVEARBPZSA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]Cc2c(C)cccc2C)CC1)N(C)C ZINC001392919458 1157539304 /nfs/dbraw/zinc/53/93/04/1157539304.db2.gz QVTKJZPPTYSQPE-QGZVFWFLSA-N 1 3 317.477 2.382 20 0 DEADHO CCCN(C)CC(=O)N1CCC2(C1)CC[NH+](CC(C)C)CC2 ZINC001392984818 1157587091 /nfs/dbraw/zinc/58/70/91/1157587091.db2.gz YTSYIHKTBZAAJP-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO Cc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001374234476 1157754155 /nfs/dbraw/zinc/75/41/55/1157754155.db2.gz RWQVLHIFLILLGK-MRXNPFEDSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1cc(C[NH2+]C[C@H](C)N(C)C(=O)CN2CC[C@H](C)C2)cs1 ZINC001374280009 1157800470 /nfs/dbraw/zinc/80/04/70/1157800470.db2.gz KOZPVCNNFCDNRC-KBPBESRZSA-N 1 3 323.506 2.335 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH]cn1 ZINC001374292579 1157804744 /nfs/dbraw/zinc/80/47/44/1157804744.db2.gz FXUUOHKWFNYZSL-GJZGRUSLSA-N 1 3 314.433 2.458 20 0 DEADHO CN(CCC[N@H+](C)Cc1ccccc1)C(=O)CN(C)C1CCC1 ZINC001393622911 1157885965 /nfs/dbraw/zinc/88/59/65/1157885965.db2.gz RCSDZFHOTHMUTQ-UHFFFAOYSA-N 1 3 317.477 2.451 20 0 DEADHO CN(CCC[N@@H+](C)Cc1ccccc1)C(=O)CN(C)C1CCC1 ZINC001393622911 1157885967 /nfs/dbraw/zinc/88/59/67/1157885967.db2.gz RCSDZFHOTHMUTQ-UHFFFAOYSA-N 1 3 317.477 2.451 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@H+](CC)C1 ZINC001393653099 1157894390 /nfs/dbraw/zinc/89/43/90/1157894390.db2.gz WCJOUBVPELXLAZ-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+](CC)C1 ZINC001393653099 1157894391 /nfs/dbraw/zinc/89/43/91/1157894391.db2.gz WCJOUBVPELXLAZ-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@H](C[N@H+](C)CC1CC1)NC(=O)c1cccc(CN(C)C)c1 ZINC001375160711 1158362306 /nfs/dbraw/zinc/36/23/06/1158362306.db2.gz SFMDYAJPTRNAMW-AWEZNQCLSA-N 1 3 303.450 2.208 20 0 DEADHO C[C@@H](C[N@@H+](C)CC1CC1)NC(=O)c1cccc(CN(C)C)c1 ZINC001375160711 1158362310 /nfs/dbraw/zinc/36/23/10/1158362310.db2.gz SFMDYAJPTRNAMW-AWEZNQCLSA-N 1 3 303.450 2.208 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccccc1)C1CC1)N(C)C ZINC001375269176 1158419041 /nfs/dbraw/zinc/41/90/41/1158419041.db2.gz JLVUDVALFZHNCQ-IRXDYDNUSA-N 1 3 303.450 2.011 20 0 DEADHO CC(C)CCCN1CC[C@@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001375317955 1158477727 /nfs/dbraw/zinc/47/77/27/1158477727.db2.gz KFFDMMXQXLSANX-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CCCN1CC[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001375317955 1158477732 /nfs/dbraw/zinc/47/77/32/1158477732.db2.gz KFFDMMXQXLSANX-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CCN1CC1CC2(CCC2)C1 ZINC001375370908 1158547789 /nfs/dbraw/zinc/54/77/89/1158547789.db2.gz XIQZFJKXNGABJP-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1CC1CC2(CCC2)C1 ZINC001375370908 1158547821 /nfs/dbraw/zinc/54/78/21/1158547821.db2.gz XIQZFJKXNGABJP-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]Cc2ccccc2)C(C)(C)C1 ZINC001394727531 1158730976 /nfs/dbraw/zinc/73/09/76/1158730976.db2.gz ULCLKYBRCHLDOZ-KRWDZBQOSA-N 1 3 317.477 2.353 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCC2)C1)N(C)C ZINC001375542934 1158807981 /nfs/dbraw/zinc/80/79/81/1158807981.db2.gz PCIBAPLZVSNYIG-BRWVUGGUSA-N 1 3 309.498 2.247 20 0 DEADHO CC[NH2+]Cc1ccc(CNC(=O)[C@@H](C(C)C)N(C)C)c(F)c1 ZINC001394866034 1158818516 /nfs/dbraw/zinc/81/85/16/1158818516.db2.gz IXYKLSWYBAPCJJ-MRXNPFEDSA-N 1 3 309.429 2.138 20 0 DEADHO CC(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001375845863 1158889991 /nfs/dbraw/zinc/88/99/91/1158889991.db2.gz DYNXOEVMTKGAIG-AEFFLSMTSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[N@H+]1CC[C@](C)(NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001375845863 1158889993 /nfs/dbraw/zinc/88/99/93/1158889993.db2.gz DYNXOEVMTKGAIG-AEFFLSMTSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C)C[NH2+]C[C@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001375873637 1158898809 /nfs/dbraw/zinc/89/88/09/1158898809.db2.gz DAMTZANANQAVNC-RDJZCZTQSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001375873639 1158898944 /nfs/dbraw/zinc/89/89/44/1158898944.db2.gz DAMTZANANQAVNC-WBVHZDCISA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1)N(C)C ZINC001403556959 1163000359 /nfs/dbraw/zinc/00/03/59/1163000359.db2.gz LGZBVMBVCHQSRB-RDJZCZTQSA-N 1 3 305.466 2.209 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@@H+](C(C)C)C1 ZINC001375943509 1159010309 /nfs/dbraw/zinc/01/03/09/1159010309.db2.gz XVRGFODXELJKGO-WMZOPIPTSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@H+](C(C)C)C1 ZINC001375943509 1159010319 /nfs/dbraw/zinc/01/03/19/1159010319.db2.gz XVRGFODXELJKGO-WMZOPIPTSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CCC[N@H+](CCCF)C1)N1CCCC1 ZINC001376531521 1159516113 /nfs/dbraw/zinc/51/61/13/1159516113.db2.gz MAPWVIODVVBHDH-HNNXBMFYSA-N 1 3 313.461 2.049 20 0 DEADHO Cc1csc(N2CCC([NH2+][C@@H]3CC[C@@H]4CN(C)C[C@@H]34)CC2)n1 ZINC001414119009 1159529741 /nfs/dbraw/zinc/52/97/41/1159529741.db2.gz MKSFWNNCMKHOHI-FVQBIDKESA-N 1 3 320.506 2.350 20 0 DEADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001403629018 1163061437 /nfs/dbraw/zinc/06/14/37/1163061437.db2.gz JKUWPGROWIINHR-RDJZCZTQSA-N 1 3 305.466 2.272 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCC2)CCC1 ZINC001376737535 1159743278 /nfs/dbraw/zinc/74/32/78/1159743278.db2.gz SCSJQSMHJIYBEU-INIZCTEOSA-N 1 3 307.482 2.288 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]CC[C@@H]1CCCC1(F)F ZINC001376885703 1159833093 /nfs/dbraw/zinc/83/30/93/1159833093.db2.gz WJTXNJFAUMLTDO-KGLIPLIRSA-N 1 3 319.440 2.246 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]C/C(Cl)=C/Cl)C1)N(C)C ZINC001376955071 1159855484 /nfs/dbraw/zinc/85/54/84/1159855484.db2.gz VFXDAERMPYNQJD-DTUFIANYSA-N 1 3 322.280 2.084 20 0 DEADHO CC[C@@H](C)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001397177485 1160034067 /nfs/dbraw/zinc/03/40/67/1160034067.db2.gz UENFOSIOZBAYAU-VHDGCEQUSA-N 1 3 306.454 2.181 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CC[N@H+](CC3CCC3)CC2(C)C)CCC1 ZINC001377318310 1160210058 /nfs/dbraw/zinc/21/00/58/1160210058.db2.gz GIXSHFIPJIGIMU-MRXNPFEDSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CC[N@@H+](CC3CCC3)CC2(C)C)CCC1 ZINC001377318310 1160210078 /nfs/dbraw/zinc/21/00/78/1160210078.db2.gz GIXSHFIPJIGIMU-MRXNPFEDSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](F)CC[NH2+][C@@H]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001397683955 1160398672 /nfs/dbraw/zinc/39/86/72/1160398672.db2.gz OLPJYEZUWZDFLX-SOUVJXGZSA-N 1 3 313.461 2.093 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001377488736 1160419704 /nfs/dbraw/zinc/41/97/04/1160419704.db2.gz RGLWWOANFYCOMC-IRXDYDNUSA-N 1 3 317.477 2.321 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1[C@@H]2CCC[N@H+](CC3CC3)[C@@H]2C1(C)C ZINC001397748478 1160440253 /nfs/dbraw/zinc/44/02/53/1160440253.db2.gz VODASRCENGBYGY-JQHSSLGASA-N 1 3 321.509 2.343 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1[C@@H]2CCC[N@@H+](CC3CC3)[C@@H]2C1(C)C ZINC001397748478 1160440264 /nfs/dbraw/zinc/44/02/64/1160440264.db2.gz VODASRCENGBYGY-JQHSSLGASA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CCC1CC1 ZINC001398204219 1160817866 /nfs/dbraw/zinc/81/78/66/1160817866.db2.gz KLZNDQIRQNSFCK-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[N@H+](C)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001377794708 1160828894 /nfs/dbraw/zinc/82/88/94/1160828894.db2.gz CFKMFNJCBLMPSO-MRXNPFEDSA-N 1 3 309.498 2.155 20 0 DEADHO CC(C)C[N@@H+](C)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001377794708 1160828899 /nfs/dbraw/zinc/82/88/99/1160828899.db2.gz CFKMFNJCBLMPSO-MRXNPFEDSA-N 1 3 309.498 2.155 20 0 DEADHO CC[C@H](C(=O)NC[C@H]([NH2+]CC1CC2(CCC2)C1)C1CC1)N(C)C ZINC001398380844 1160871498 /nfs/dbraw/zinc/87/14/98/1160871498.db2.gz AYTDUGPCIPJDEZ-DLBZAZTESA-N 1 3 321.509 2.391 20 0 DEADHO CCc1ccccc1CN1CC(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001378007052 1160906840 /nfs/dbraw/zinc/90/68/40/1160906840.db2.gz PPKZWZUAEPHZNK-UHFFFAOYSA-N 1 3 317.477 2.139 20 0 DEADHO CCc1ccccc1CN1CC(CNC(=O)CC[N@H+](C)CC)C1 ZINC001378007052 1160906852 /nfs/dbraw/zinc/90/68/52/1160906852.db2.gz PPKZWZUAEPHZNK-UHFFFAOYSA-N 1 3 317.477 2.139 20 0 DEADHO C[C@H](c1cccc(Cl)c1)N(C)CCNC(=O)CC[NH+](C)C ZINC001399567731 1161458540 /nfs/dbraw/zinc/45/85/40/1161458540.db2.gz HOESRLPSCREYIS-CYBMUJFWSA-N 1 3 311.857 2.401 20 0 DEADHO CCN(CCNC(=O)CC[NH+](C)C)Cc1ccc(C)c(F)c1 ZINC001399753030 1161552998 /nfs/dbraw/zinc/55/29/98/1161552998.db2.gz KGDBFUYRQCQJEA-UHFFFAOYSA-N 1 3 309.429 2.024 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2cccc(C)c2)C1)N(C)C ZINC001399944095 1161614596 /nfs/dbraw/zinc/61/45/96/1161614596.db2.gz ZMKQGGLDUIFRQJ-MSOLQXFVSA-N 1 3 317.477 2.273 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2cccc(C)c2)C1)N(C)C ZINC001399944095 1161614598 /nfs/dbraw/zinc/61/45/98/1161614598.db2.gz ZMKQGGLDUIFRQJ-MSOLQXFVSA-N 1 3 317.477 2.273 20 0 DEADHO C[C@H](C[NH2+]CC1CC(C)(C)C1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001401220556 1161897448 /nfs/dbraw/zinc/89/74/48/1161897448.db2.gz MYIALUSSRCHPBV-CQSZACIVSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C1CC[NH+](C[C@H](F)CC)CC1 ZINC001404000396 1163365046 /nfs/dbraw/zinc/36/50/46/1163365046.db2.gz BHKOCQXXXOELTH-GOEBONIOSA-N 1 3 315.477 2.293 20 0 DEADHO C[C@H](F)CC[N@@H+]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001404076569 1163422721 /nfs/dbraw/zinc/42/27/21/1163422721.db2.gz HBGPYPQWGKMNHJ-LSDHHAIUSA-N 1 3 315.477 2.151 20 0 DEADHO C[C@H](F)CC[N@H+]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001404076569 1163422732 /nfs/dbraw/zinc/42/27/32/1163422732.db2.gz HBGPYPQWGKMNHJ-LSDHHAIUSA-N 1 3 315.477 2.151 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001405670551 1164180275 /nfs/dbraw/zinc/18/02/75/1164180275.db2.gz MIQDPWIPGBKHCI-PBHICJAKSA-N 1 3 323.456 2.254 20 0 DEADHO CC[C@@H](F)C[NH2+]C1(CNC(=O)CN(C)C2CCC2)CCCC1 ZINC001405744236 1164214163 /nfs/dbraw/zinc/21/41/63/1164214163.db2.gz IRJWDYZZMCKYPQ-CQSZACIVSA-N 1 3 313.461 2.237 20 0 DEADHO CC[C@H](F)C[NH2+]C1(CNC(=O)[C@@H](C(C)C)N(C)C)CCCC1 ZINC001405753754 1164221963 /nfs/dbraw/zinc/22/19/63/1164221963.db2.gz KSOQEHFZAZCADK-LSDHHAIUSA-N 1 3 315.477 2.339 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2(NCCF)CCCC2)C1 ZINC001405776351 1164233397 /nfs/dbraw/zinc/23/33/97/1164233397.db2.gz WVWRHQWAGXFGPT-HUUCEWRRSA-N 1 3 313.461 2.095 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]CC1CC1)C1CCCCC1 ZINC001405944236 1164351692 /nfs/dbraw/zinc/35/16/92/1164351692.db2.gz DSCKRCSRFRZLJW-QGZVFWFLSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccc(F)cc1)N(C)C ZINC001406506591 1164644326 /nfs/dbraw/zinc/64/43/26/1164644326.db2.gz ZSKUEMIRBRCBSP-WOSRLPQWSA-N 1 3 309.429 2.321 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C)cc1C)N(C)C ZINC001406541403 1164666847 /nfs/dbraw/zinc/66/68/47/1164666847.db2.gz DDDIWPDGQQTQGQ-DOTOQJQBSA-N 1 3 305.466 2.238 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CCC1)C1CC1 ZINC001406757829 1164820148 /nfs/dbraw/zinc/82/01/48/1164820148.db2.gz JIIMBQGHAXRNFG-IRXDYDNUSA-N 1 3 307.482 2.144 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]C/C=C/Cl)[C@H](CC)C1 ZINC001406811086 1164837185 /nfs/dbraw/zinc/83/71/85/1164837185.db2.gz PXSYXLXHIPBAQF-OSZGCLPASA-N 1 3 315.889 2.297 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]C/C=C/Cl)C[C@H]1C ZINC001407077207 1164956826 /nfs/dbraw/zinc/95/68/26/1164956826.db2.gz ARKVFLKOTNTOPQ-UMGRQFOVSA-N 1 3 301.862 2.050 20 0 DEADHO CC[C@H](F)C[NH+]1CCC(C)(CNC(=O)CN(C)C(C)C)CC1 ZINC001407268653 1165076611 /nfs/dbraw/zinc/07/66/11/1165076611.db2.gz HVBORZZNLYLONU-HNNXBMFYSA-N 1 3 315.477 2.293 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2CC[C@H](C[NH2+]CC3CC3)CC2)CCC1 ZINC001407535539 1165188230 /nfs/dbraw/zinc/18/82/30/1165188230.db2.gz LXQMOCNZFACYIH-QAQDUYKDSA-N 1 3 321.509 2.393 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CCC[N@H+](CCC(F)(F)F)CC1)N(C)C ZINC001407846394 1165341217 /nfs/dbraw/zinc/34/12/17/1165341217.db2.gz HJPGLBOGZZAVGR-QWHCGFSZSA-N 1 3 323.403 2.250 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CCC[N@@H+](CCC(F)(F)F)CC1)N(C)C ZINC001407846394 1165341224 /nfs/dbraw/zinc/34/12/24/1165341224.db2.gz HJPGLBOGZZAVGR-QWHCGFSZSA-N 1 3 323.403 2.250 20 0 DEADHO CC[C@@H](F)C[NH2+]C1(C)CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001408099024 1165475872 /nfs/dbraw/zinc/47/58/72/1165475872.db2.gz SPNNSYOELBZXGZ-ZIAGYGMSSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001408147507 1165498548 /nfs/dbraw/zinc/49/85/48/1165498548.db2.gz UXJOWMBNDPTDGW-HOTGVXAUSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001408147507 1165498558 /nfs/dbraw/zinc/49/85/58/1165498558.db2.gz UXJOWMBNDPTDGW-HOTGVXAUSA-N 1 3 311.514 2.445 20 0 DEADHO Brc1ccsc1CNC[C@H]1CCC2(C[NH2+]C2)O1 ZINC001574448417 1166258235 /nfs/dbraw/zinc/25/82/35/1166258235.db2.gz QUKAOXDQXUWRCI-SECBINFHSA-N 1 3 317.252 2.121 20 0 DEADHO CCCC[NH+]1CCC(N(CCC)C(=O)Cc2c[nH]cn2)CC1 ZINC001417960007 1167328621 /nfs/dbraw/zinc/32/86/21/1167328621.db2.gz PYZBHVARFMWRSA-UHFFFAOYSA-N 1 3 306.454 2.455 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001418049772 1167382651 /nfs/dbraw/zinc/38/26/51/1167382651.db2.gz GLZCJPWKJZIRTE-WBVHZDCISA-N 1 3 303.450 2.278 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]C/C=C/Cl)C1 ZINC001418070731 1167394098 /nfs/dbraw/zinc/39/40/98/1167394098.db2.gz IFCYDAVUAIRXIP-SQVJTMBNSA-N 1 3 313.873 2.239 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001418075531 1167397913 /nfs/dbraw/zinc/39/79/13/1167397913.db2.gz QKXQRXHFOPGWEB-ULQDDVLXSA-N 1 3 321.509 2.390 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2F)C1 ZINC001418107380 1167414099 /nfs/dbraw/zinc/41/40/99/1167414099.db2.gz APEJXAJQIIALSB-IYBDPMFKSA-N 1 3 321.440 2.213 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001418112732 1167417703 /nfs/dbraw/zinc/41/77/03/1167417703.db2.gz HWTNFNSVZLHMJA-SOUVJXGZSA-N 1 3 321.440 2.464 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001418421825 1167643142 /nfs/dbraw/zinc/64/31/42/1167643142.db2.gz NGXSTMVROQDIMK-RHSMWYFYSA-N 1 3 323.456 2.396 20 0 DEADHO CCc1ccc(CN(C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC001418517572 1167750863 /nfs/dbraw/zinc/75/08/63/1167750863.db2.gz XSQKXBIZFFBFRP-GOSISDBHSA-N 1 3 319.493 2.383 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[N@H+](CCC2CCCC2)C2CC2)C1 ZINC001418786213 1167960310 /nfs/dbraw/zinc/96/03/10/1167960310.db2.gz JHZJGYIDYGIESD-MRXNPFEDSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[N@@H+](CCC2CCCC2)C2CC2)C1 ZINC001418786213 1167960311 /nfs/dbraw/zinc/96/03/11/1167960311.db2.gz JHZJGYIDYGIESD-MRXNPFEDSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CCc2cccs2)C1)N(C)C ZINC001419084631 1168187743 /nfs/dbraw/zinc/18/77/43/1168187743.db2.gz WGLYTTJDCSIBNY-GDBMZVCRSA-N 1 3 323.506 2.067 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](CCc2cccs2)C1)N(C)C ZINC001419084631 1168187749 /nfs/dbraw/zinc/18/77/49/1168187749.db2.gz WGLYTTJDCSIBNY-GDBMZVCRSA-N 1 3 323.506 2.067 20 0 DEADHO Cc1ccc(CN2CC[C@H](N(C)C(=O)CC[NH+](C)C)C2)cc1C ZINC001419125279 1168228854 /nfs/dbraw/zinc/22/88/54/1168228854.db2.gz PYDCZTNNBHQHTJ-SFHVURJKSA-N 1 3 317.477 2.288 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC2CC[NH+](CCC3CC3)CC2)C1 ZINC001419401706 1168447428 /nfs/dbraw/zinc/44/74/28/1168447428.db2.gz ZWRXUVPWPCRWQS-MRXNPFEDSA-N 1 3 321.509 2.347 20 0 DEADHO CC(C)C[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001419413017 1168455100 /nfs/dbraw/zinc/45/51/00/1168455100.db2.gz MQBSJEOFIPNWPA-YYIAUSFCSA-N 1 3 309.498 2.247 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001419515435 1168561499 /nfs/dbraw/zinc/56/14/99/1168561499.db2.gz GGOREIAFGKCHGD-BZYKYNINSA-N 1 3 315.461 2.277 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]C[C@@H](F)CC)CCCC1)N(C)C ZINC001419618391 1168691182 /nfs/dbraw/zinc/69/11/82/1168691182.db2.gz UDQMJCOUPIZFEH-UONOGXRCSA-N 1 3 301.450 2.093 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001419910866 1168908790 /nfs/dbraw/zinc/90/87/90/1168908790.db2.gz UTNGSSANLVBRRA-PWSUYJOCSA-N 1 3 317.886 2.336 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1CC(C)(C)C1 ZINC001420284258 1169319804 /nfs/dbraw/zinc/31/98/04/1169319804.db2.gz PGYSHNUTJYZNTM-ZBFHGGJFSA-N 1 3 309.498 2.390 20 0 DEADHO C[C@H](CNCc1cncs1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001420294326 1169328680 /nfs/dbraw/zinc/32/86/80/1169328680.db2.gz KUGRTTBLBWZGBA-CYBMUJFWSA-N 1 3 324.494 2.002 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCc2c1cccc2F)N(C)C ZINC001420339525 1169377553 /nfs/dbraw/zinc/37/75/53/1169377553.db2.gz DOIXKDBSDHGUBZ-JLZZUVOBSA-N 1 3 321.440 2.248 20 0 DEADHO Cc1ccc(CN(C)C[C@@H](C)NC(=O)CCC[NH+](C)C)cc1F ZINC001420614414 1169829330 /nfs/dbraw/zinc/82/93/30/1169829330.db2.gz QBUMSAHJLWWZKC-OAHLLOKOSA-N 1 3 323.456 2.412 20 0 DEADHO CN(CC(=O)NC1(C)CC[NH+](CCC2CC2)CC1)C1CCC1 ZINC001421140294 1171525822 /nfs/dbraw/zinc/52/58/22/1171525822.db2.gz ORLRHQATXNUEAB-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001421207155 1171590056 /nfs/dbraw/zinc/59/00/56/1171590056.db2.gz QMCUFYMOOAXBKT-OKZBNKHCSA-N 1 3 319.493 2.050 20 0 DEADHO CC[C@@H](C(=O)N[C@](C)(C[NH2+]CC1CCCC1)C1CC1)N(C)C ZINC001421558690 1171846921 /nfs/dbraw/zinc/84/69/21/1171846921.db2.gz ZEVSQMHBXSWAHL-FUHWJXTLSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCC1 ZINC001421735162 1171946797 /nfs/dbraw/zinc/94/67/97/1171946797.db2.gz GBQRSSOGPZUFRP-NVXWUHKLSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC2(C[NH+](CC3CC(C)C3)C2)CC1 ZINC001421853055 1172046918 /nfs/dbraw/zinc/04/69/18/1172046918.db2.gz SWIIARDSYZDOIY-UHFFFAOYSA-N 1 3 321.509 2.297 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)CN(C)C(C)C)c(C)n1 ZINC001422171910 1172369676 /nfs/dbraw/zinc/36/96/76/1172369676.db2.gz ALJUKOITNSUUFE-AWEZNQCLSA-N 1 3 320.481 2.023 20 0 DEADHO Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001422518655 1172670610 /nfs/dbraw/zinc/67/06/10/1172670610.db2.gz BRVVKXLDMLJKSS-INIZCTEOSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001422518655 1172670611 /nfs/dbraw/zinc/67/06/11/1172670611.db2.gz BRVVKXLDMLJKSS-INIZCTEOSA-N 1 3 317.477 2.416 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C1C[NH+](CC2CC(C)(C)C2)C1)N(C)C ZINC001422737566 1172836446 /nfs/dbraw/zinc/83/64/46/1172836446.db2.gz IJMXIQURMXTGSR-CJNGLKHVSA-N 1 3 309.498 2.199 20 0 DEADHO C[C@@H](CNCc1ccccc1F)NC(=O)CC[NH+]1CCCCC1 ZINC001422757608 1172845557 /nfs/dbraw/zinc/84/55/57/1172845557.db2.gz ALWWFAWEXZLXPS-HNNXBMFYSA-N 1 3 321.440 2.296 20 0 DEADHO Cc1cc(CN(C)C[C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)cs1 ZINC001422878588 1172893854 /nfs/dbraw/zinc/89/38/54/1172893854.db2.gz PMMQXZRHJOQTDJ-ZIAGYGMSSA-N 1 3 323.506 2.335 20 0 DEADHO Cc1cc(CN(C)C[C@@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)cs1 ZINC001422878588 1172893858 /nfs/dbraw/zinc/89/38/58/1172893858.db2.gz PMMQXZRHJOQTDJ-ZIAGYGMSSA-N 1 3 323.506 2.335 20 0 DEADHO CC[C@H](C(=O)N[C@H](C[NH2+]CC1CC(C)(C)C1)C1CC1)N(C)C ZINC001423037158 1173033344 /nfs/dbraw/zinc/03/33/44/1173033344.db2.gz DSRZDUMOBZROEJ-HZPDHXFCSA-N 1 3 309.498 2.247 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H](C)NC/C=C\Cl)C1 ZINC001423129063 1173098738 /nfs/dbraw/zinc/09/87/38/1173098738.db2.gz VOYIKWYPCCFUHV-XCRGBYMUSA-N 1 3 315.889 2.297 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@@H](C)NC/C=C\Cl)C1 ZINC001423129063 1173098743 /nfs/dbraw/zinc/09/87/43/1173098743.db2.gz VOYIKWYPCCFUHV-XCRGBYMUSA-N 1 3 315.889 2.297 20 0 DEADHO CCC(CC)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001423941019 1173584486 /nfs/dbraw/zinc/58/44/86/1173584486.db2.gz BLHBXSXDQSGZJO-DOTOQJQBSA-N 1 3 309.498 2.345 20 0 DEADHO CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](CC)N(C)C)C2 ZINC001423967821 1173594677 /nfs/dbraw/zinc/59/46/77/1173594677.db2.gz WTQXZNMMJGYYIN-YYIAUSFCSA-N 1 3 309.498 2.486 20 0 DEADHO CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](CC)N(C)C)C2 ZINC001423967821 1173594681 /nfs/dbraw/zinc/59/46/81/1173594681.db2.gz WTQXZNMMJGYYIN-YYIAUSFCSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)N(C)C ZINC001423982840 1173601220 /nfs/dbraw/zinc/60/12/20/1173601220.db2.gz UWNLITUEAPSIKQ-YVSFHVDLSA-N 1 3 307.482 2.096 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)N(C)C ZINC001423982840 1173601224 /nfs/dbraw/zinc/60/12/24/1173601224.db2.gz UWNLITUEAPSIKQ-YVSFHVDLSA-N 1 3 307.482 2.096 20 0 DEADHO CC[C@H](F)CNC1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC001424187219 1173690661 /nfs/dbraw/zinc/69/06/61/1173690661.db2.gz NGCORILDSXHLHM-KKUMJFAQSA-N 1 3 313.461 2.093 20 0 DEADHO CC[C@H](F)CNC1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC001424187219 1173690667 /nfs/dbraw/zinc/69/06/67/1173690667.db2.gz NGCORILDSXHLHM-KKUMJFAQSA-N 1 3 313.461 2.093 20 0 DEADHO CCCN(C)CC(=O)NC1CC(C[NH2+]Cc2ccccc2C)C1 ZINC001424745484 1173895572 /nfs/dbraw/zinc/89/55/72/1173895572.db2.gz BNIGAZRNDWVIDH-UHFFFAOYSA-N 1 3 317.477 2.321 20 0 DEADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]Cc1ccsc1 ZINC001424805668 1173944925 /nfs/dbraw/zinc/94/49/25/1173944925.db2.gz VFCUKQSJYXQJQU-STQMWFEESA-N 1 3 309.479 2.215 20 0 DEADHO C[C@H](CNC(=O)[C@H](C)N1CCCCCC1)[N@H+](C)CC1CCC1 ZINC001425022851 1174121063 /nfs/dbraw/zinc/12/10/63/1174121063.db2.gz GFFRHYSSBVNTSS-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](CNC(=O)[C@H](C)N1CCCCCC1)[N@@H+](C)CC1CCC1 ZINC001425022851 1174121074 /nfs/dbraw/zinc/12/10/74/1174121074.db2.gz GFFRHYSSBVNTSS-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC([N@H+](C)CC[C@H](C)F)CC1)N(C)C ZINC001425439490 1174321698 /nfs/dbraw/zinc/32/16/98/1174321698.db2.gz GHGYRJQPCXFBRT-GOEBONIOSA-N 1 3 315.477 2.244 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC([N@@H+](C)CC[C@H](C)F)CC1)N(C)C ZINC001425439490 1174321707 /nfs/dbraw/zinc/32/17/07/1174321707.db2.gz GHGYRJQPCXFBRT-GOEBONIOSA-N 1 3 315.477 2.244 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCc2ccccc2)C[C@@H]1C ZINC001425911452 1174509938 /nfs/dbraw/zinc/50/99/38/1174509938.db2.gz KFDZFYPSIDKIAA-WMZOPIPTSA-N 1 3 317.477 2.150 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C1CC([NH2+]CC2CCCC2)C1)N(C)C ZINC001426222640 1174657131 /nfs/dbraw/zinc/65/71/31/1174657131.db2.gz BQXWIDRHYADPRY-JCYILVPMSA-N 1 3 309.498 2.342 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)NCC1([NH+](C)C)CCCCC1 ZINC001426475922 1174771583 /nfs/dbraw/zinc/77/15/83/1174771583.db2.gz YHNGEGXHQQISBB-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@@H]1COCC[C@@H]1C[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001434529780 1178783912 /nfs/dbraw/zinc/78/39/12/1178783912.db2.gz OFPQONHYNOEHKB-MRLCAUJQSA-N 1 3 310.482 2.282 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC[C@@H](C)F)C1 ZINC001436344941 1179055111 /nfs/dbraw/zinc/05/51/11/1179055111.db2.gz NSRVNAQXYAHJFH-LVQVYYBASA-N 1 3 313.461 2.092 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CCC[N@H+](CC2CC2)C1)N1CCCCC1 ZINC001436694517 1179194167 /nfs/dbraw/zinc/19/41/67/1179194167.db2.gz IZYDKOQGECXAKL-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC2CC2)C1)N1CCCCC1 ZINC001436694517 1179194173 /nfs/dbraw/zinc/19/41/73/1179194173.db2.gz IZYDKOQGECXAKL-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)CN(C)C3CCC3)C2)cs1 ZINC001436893933 1179293338 /nfs/dbraw/zinc/29/33/38/1179293338.db2.gz GNKLFAWTMWIPJC-SHTZXODSSA-N 1 3 321.490 2.278 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]C/C=C/c2ccccc2)C1)N(C)C ZINC001436917635 1179301303 /nfs/dbraw/zinc/30/13/03/1179301303.db2.gz ZIXRPWMSLMWRRH-CNTXZWBZSA-N 1 3 315.461 2.277 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2C)C1)N(C)C ZINC001436920334 1179302374 /nfs/dbraw/zinc/30/23/74/1179302374.db2.gz LWXOVAIXWGXNDC-ULQDDVLXSA-N 1 3 321.440 2.211 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001436974417 1179324859 /nfs/dbraw/zinc/32/48/59/1179324859.db2.gz DEAKHOXTTPXKDM-JJTUDDRGSA-N 1 3 307.482 2.001 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCc1ccccc1F ZINC001437150254 1179491016 /nfs/dbraw/zinc/49/10/16/1179491016.db2.gz GHHWCDVXFIKVKO-PBHICJAKSA-N 1 3 321.440 2.294 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCc1ccccc1F ZINC001437150254 1179491047 /nfs/dbraw/zinc/49/10/47/1179491047.db2.gz GHHWCDVXFIKVKO-PBHICJAKSA-N 1 3 321.440 2.294 20 0 DEADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CCc1cccs1 ZINC001437379523 1179773798 /nfs/dbraw/zinc/77/37/98/1179773798.db2.gz IYOUFIXYPCDREP-CQSZACIVSA-N 1 3 323.506 2.259 20 0 DEADHO CCCN(C)CC(=O)NCC[N@H+](C)[C@@H](C)c1cccc(C)c1 ZINC001437552453 1179844300 /nfs/dbraw/zinc/84/43/00/1179844300.db2.gz UUECMEXASOISBV-INIZCTEOSA-N 1 3 305.466 2.446 20 0 DEADHO CCCN(C)CC(=O)NCC[N@@H+](C)[C@@H](C)c1cccc(C)c1 ZINC001437552453 1179844301 /nfs/dbraw/zinc/84/43/01/1179844301.db2.gz UUECMEXASOISBV-INIZCTEOSA-N 1 3 305.466 2.446 20 0 DEADHO O=C(C[NH+]1CCCC1)NC[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC001437696009 1179892608 /nfs/dbraw/zinc/89/26/08/1179892608.db2.gz DXBBXVJKZSTNOO-KRWDZBQOSA-N 1 3 319.424 2.002 20 0 DEADHO Cc1ccccc1C[N@@H+](CCNC(=O)CN(C)C(C)C)C1CC1 ZINC001437813201 1180008794 /nfs/dbraw/zinc/00/87/94/1180008794.db2.gz OMYSDCRDBYKZOY-UHFFFAOYSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1ccccc1C[N@H+](CCNC(=O)CN(C)C(C)C)C1CC1 ZINC001437813201 1180008800 /nfs/dbraw/zinc/00/88/00/1180008800.db2.gz OMYSDCRDBYKZOY-UHFFFAOYSA-N 1 3 317.477 2.416 20 0 DEADHO CC[C@H](F)C[N@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001438004991 1180152623 /nfs/dbraw/zinc/15/26/23/1180152623.db2.gz KUOWSDHSGMTNHG-INIZCTEOSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@H](F)C[N@@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001438004991 1180152629 /nfs/dbraw/zinc/15/26/29/1180152629.db2.gz KUOWSDHSGMTNHG-INIZCTEOSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]CCC(F)(F)F ZINC001438369160 1180375071 /nfs/dbraw/zinc/37/50/71/1180375071.db2.gz IYTWKNHOXWLEEH-NEPJUHHUSA-N 1 3 311.392 2.009 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCC1CC[NH+](CC2CC2)CC1 ZINC001438451771 1180445648 /nfs/dbraw/zinc/44/56/48/1180445648.db2.gz IAQKRIDGWBOYMI-SFHVURJKSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCc2ccccc21)N(C)C ZINC001439251359 1180967702 /nfs/dbraw/zinc/96/77/02/1180967702.db2.gz GDIBCGNFBZLOEZ-XKQJLSEDSA-N 1 3 303.450 2.108 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CC(C)(C)C1 ZINC001439284526 1180990266 /nfs/dbraw/zinc/99/02/66/1180990266.db2.gz KZXXTOSBVLUIEY-HOCLYGCPSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001439285850 1180990301 /nfs/dbraw/zinc/99/03/01/1180990301.db2.gz QOLKHSKWXPEHND-HNNXBMFYSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(C)cc1)C1CC1)N(C)C ZINC001439479358 1181106268 /nfs/dbraw/zinc/10/62/68/1181106268.db2.gz LIUPRBXXQXVXAU-ROUUACIJSA-N 1 3 317.477 2.320 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CC[N@@H+]1CC1CCCC1)N(CC)CC ZINC001439551005 1181138754 /nfs/dbraw/zinc/13/87/54/1181138754.db2.gz ZBBNFUGZXCVUBZ-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CC[N@H+]1CC1CCCC1)N(CC)CC ZINC001439551005 1181138756 /nfs/dbraw/zinc/13/87/56/1181138756.db2.gz ZBBNFUGZXCVUBZ-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CCN1CCCC1CCC1)[NH+](C)C ZINC001439558486 1181142711 /nfs/dbraw/zinc/14/27/11/1181142711.db2.gz ACRFDLBJDYIPBU-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@@H]2CCCN2C(C)C)CCC1 ZINC001440305620 1181438462 /nfs/dbraw/zinc/43/84/62/1181438462.db2.gz USAHLCLXNONEHO-CABCVRRESA-N 1 3 313.461 2.236 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]C[C@H](F)CC)CCC1 ZINC001440323249 1181448668 /nfs/dbraw/zinc/44/86/68/1181448668.db2.gz MNKDGQDZFJXCSY-HUUCEWRRSA-N 1 3 313.461 2.237 20 0 DEADHO CC[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001440335986 1181453061 /nfs/dbraw/zinc/45/30/61/1181453061.db2.gz TUBAGRZEVFCKRK-LUKYLMHMSA-N 1 3 309.498 2.390 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCF)C1)N1CCCCCC1 ZINC001440402758 1181487501 /nfs/dbraw/zinc/48/75/01/1181487501.db2.gz BEUZDVJWCUMMCP-HRCADAONSA-N 1 3 313.461 2.095 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN1CC[C@H](C)C1 ZINC001440423214 1181503436 /nfs/dbraw/zinc/50/34/36/1181503436.db2.gz UDBTWDYLGKBURX-IKGGRYGDSA-N 1 3 309.498 2.201 20 0 DEADHO Cc1ccc(CN(C)[C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)cc1F ZINC001441010202 1181825090 /nfs/dbraw/zinc/82/50/90/1181825090.db2.gz JXAPMWXUBLIGOX-HOCLYGCPSA-N 1 3 321.440 2.022 20 0 DEADHO Cc1ccc(CN(C)[C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1F ZINC001441010202 1181825094 /nfs/dbraw/zinc/82/50/94/1181825094.db2.gz JXAPMWXUBLIGOX-HOCLYGCPSA-N 1 3 321.440 2.022 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+](CCC2CC2)C1)N1CCCC1 ZINC001441050634 1181835016 /nfs/dbraw/zinc/83/50/16/1181835016.db2.gz ZFLJASBHDAEZCU-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CCC[N@@H+](CCC2CC2)C1)N1CCCC1 ZINC001441050634 1181835022 /nfs/dbraw/zinc/83/50/22/1181835022.db2.gz ZFLJASBHDAEZCU-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]CC1CCC1)C1CC1 ZINC001441436584 1181994460 /nfs/dbraw/zinc/99/44/60/1181994460.db2.gz FIXHKRGXECBSHE-QZTJIDSGSA-N 1 3 321.509 2.486 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cl)C1)N(C)C ZINC001441523955 1182040893 /nfs/dbraw/zinc/04/08/93/1182040893.db2.gz MNYJUVVIGOEBAY-IJEWVQPXSA-N 1 3 323.868 2.417 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]Cc2cccc(F)c2)C[C@@H]1C ZINC001441838131 1182206708 /nfs/dbraw/zinc/20/67/08/1182206708.db2.gz PVZUFVSBOVTXOI-WMLDXEAASA-N 1 3 321.440 2.245 20 0 DEADHO C[C@@H](F)CC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001442813193 1182723228 /nfs/dbraw/zinc/72/32/28/1182723228.db2.gz MZPCCIXOCGECLZ-CABCVRRESA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H](F)CC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001442813193 1182723236 /nfs/dbraw/zinc/72/32/36/1182723236.db2.gz MZPCCIXOCGECLZ-CABCVRRESA-N 1 3 313.461 2.190 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001442902386 1182780563 /nfs/dbraw/zinc/78/05/63/1182780563.db2.gz IGYYNHRJVGIKPP-KRWDZBQOSA-N 1 3 309.498 2.347 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001442902386 1182780570 /nfs/dbraw/zinc/78/05/70/1182780570.db2.gz IGYYNHRJVGIKPP-KRWDZBQOSA-N 1 3 309.498 2.347 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)CC[NH2+][C@H]2CCc3ccccc32)C1 ZINC001443077578 1182842328 /nfs/dbraw/zinc/84/23/28/1182842328.db2.gz JTWAHNSPQWOPOE-YJBOKZPZSA-N 1 3 315.461 2.064 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+]CCC(F)(F)F)CC1 ZINC001444179038 1183308764 /nfs/dbraw/zinc/30/87/64/1183308764.db2.gz VZZHAQBXJSUFIY-JOCQHMNTSA-N 1 3 323.403 2.298 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]C/C=C/Cl ZINC001444810024 1183564182 /nfs/dbraw/zinc/56/41/82/1183564182.db2.gz VGIOHFZSZAQKSR-KEGUIYOVSA-N 1 3 313.873 2.050 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1CC1)C1CC1 ZINC001445974825 1184158147 /nfs/dbraw/zinc/15/81/47/1184158147.db2.gz ARUKPMFUFPKRKL-DLBZAZTESA-N 1 3 307.482 2.144 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2(NC/C=C/Cl)CC2)C1 ZINC001446269525 1184292631 /nfs/dbraw/zinc/29/26/31/1184292631.db2.gz YJCTVTZCHWSZGU-JNGJTHOISA-N 1 3 313.873 2.098 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccccc1 ZINC001447765277 1184864523 /nfs/dbraw/zinc/86/45/23/1184864523.db2.gz CURRZVVXZAIIAV-SFHVURJKSA-N 1 3 317.477 2.450 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccccc1 ZINC001447765277 1184864527 /nfs/dbraw/zinc/86/45/27/1184864527.db2.gz CURRZVVXZAIIAV-SFHVURJKSA-N 1 3 317.477 2.450 20 0 DEADHO CC(C)C[NH+]1CCC([C@@H](C)NC(=O)C2(N(C)C)CCC2)CC1 ZINC001449349079 1185667408 /nfs/dbraw/zinc/66/74/08/1185667408.db2.gz ZAPWGMULRMKIOM-OAHLLOKOSA-N 1 3 309.498 2.343 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]CCC(C)C)C1 ZINC001449401850 1185701937 /nfs/dbraw/zinc/70/19/37/1185701937.db2.gz IZYYSWILSQMGDJ-JCYILVPMSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC1CCCCC1 ZINC001405314380 1164049193 /nfs/dbraw/zinc/04/91/93/1164049193.db2.gz YECFPRQCYALJKE-WBVHZDCISA-N 1 3 309.498 2.393 20 0 DEADHO CN(CC(=O)N(C)C1CC[NH+](CCCF)CC1)CC(C)(C)C ZINC001479893819 1151112727 /nfs/dbraw/zinc/11/27/27/1151112727.db2.gz YYPDUYPASIWEHX-UHFFFAOYSA-N 1 3 315.477 2.247 20 0 DEADHO CC[C@H](F)C[NH2+]C1(CNC(=O)CN(C)C2CCC2)CCCC1 ZINC001405744234 1164213946 /nfs/dbraw/zinc/21/39/46/1164213946.db2.gz IRJWDYZZMCKYPQ-AWEZNQCLSA-N 1 3 313.461 2.237 20 0 DEADHO C[C@@H]1CN(c2cccc(OCC[NH+]3CCCC3)n2)[C@@H](C)CN1C ZINC001164637127 719226858 /nfs/dbraw/zinc/22/68/58/719226858.db2.gz LCDXRGFWRFXQTB-CVEARBPZSA-N 1 3 318.465 2.085 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2)C1)N(C)C ZINC001370493983 1149797580 /nfs/dbraw/zinc/79/75/80/1149797580.db2.gz VBUOYXQWSOFFNP-BZUAXINKSA-N 1 3 323.868 2.417 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccc(C)cc1)N(C)C ZINC001406612110 1164729826 /nfs/dbraw/zinc/72/98/26/1164729826.db2.gz GNWILGLOTSGOHK-NVXWUHKLSA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(C)cc1)N(C)C ZINC001406612110 1164729830 /nfs/dbraw/zinc/72/98/30/1164729830.db2.gz GNWILGLOTSGOHK-NVXWUHKLSA-N 1 3 305.466 2.272 20 0 DEADHO Cc1ccc(F)c(C[NH2+][C@H]2C[C@@H](NC(=O)CN(C)C(C)C)C2)c1 ZINC001370726931 1149830124 /nfs/dbraw/zinc/83/01/24/1149830124.db2.gz CILGPQQLLYXCDC-IYBDPMFKSA-N 1 3 321.440 2.211 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@H]1CC[N@H+](CCC)C1 ZINC001407002001 1164918111 /nfs/dbraw/zinc/91/81/11/1164918111.db2.gz NEEBGOPMYBJFFR-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@H]1CC[N@@H+](CCC)C1 ZINC001407002001 1164918116 /nfs/dbraw/zinc/91/81/16/1164918116.db2.gz NEEBGOPMYBJFFR-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001072952908 790323256 /nfs/dbraw/zinc/32/32/56/790323256.db2.gz DALCQVXICOZEEC-JKSUJKDBSA-N 1 3 309.498 2.153 20 0 DEADHO CC[C@H](C)C[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001072952908 790323270 /nfs/dbraw/zinc/32/32/70/790323270.db2.gz DALCQVXICOZEEC-JKSUJKDBSA-N 1 3 309.498 2.153 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106255436 782579307 /nfs/dbraw/zinc/57/93/07/782579307.db2.gz RGTVKLBEHHDTRN-BZUAXINKSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]C/C=C\Cl)[C@H](C)C1)N(C)C ZINC001106282110 782612337 /nfs/dbraw/zinc/61/23/37/782612337.db2.gz UTAUBTJPLBZSOC-WZOPPCPMSA-N 1 3 315.889 2.009 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001106340354 782662127 /nfs/dbraw/zinc/66/21/27/782662127.db2.gz TZUXMCRPRAQJQQ-KFWWJZLASA-N 1 3 315.477 2.149 20 0 DEADHO CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001106673077 782845268 /nfs/dbraw/zinc/84/52/68/782845268.db2.gz AXNVFDKVMKEXJK-OIISXLGYSA-N 1 3 311.514 2.447 20 0 DEADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCCC1CCC1 ZINC001106705244 782872482 /nfs/dbraw/zinc/87/24/82/782872482.db2.gz YOAOUUVSZQCSEV-GDBMZVCRSA-N 1 3 318.465 2.217 20 0 DEADHO CC(C)=CC[N@H+]1CC=C(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001333400513 1150046137 /nfs/dbraw/zinc/04/61/37/1150046137.db2.gz NVYMAAZQEKBFEZ-QGZVFWFLSA-N 1 3 307.482 2.287 20 0 DEADHO CC(C)=CC[N@@H+]1CC=C(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001333400513 1150046142 /nfs/dbraw/zinc/04/61/42/1150046142.db2.gz NVYMAAZQEKBFEZ-QGZVFWFLSA-N 1 3 307.482 2.287 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2ccsc2)[C@H](C)C1 ZINC001106784303 782932905 /nfs/dbraw/zinc/93/29/05/782932905.db2.gz GFJBNZFRTKQSLR-GDBMZVCRSA-N 1 3 323.506 2.274 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001106798553 782943396 /nfs/dbraw/zinc/94/33/96/782943396.db2.gz KUSVPSKECSROQB-IAGOWNOFSA-N 1 3 309.498 2.058 20 0 DEADHO CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)CC(C)(C)C1 ZINC001089381813 783060437 /nfs/dbraw/zinc/06/04/37/783060437.db2.gz OOLRJJRLFJMCIP-HOTGVXAUSA-N 1 3 309.498 2.486 20 0 DEADHO CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)CC(C)(C)C1 ZINC001089381813 783060440 /nfs/dbraw/zinc/06/04/40/783060440.db2.gz OOLRJJRLFJMCIP-HOTGVXAUSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001072982783 790354049 /nfs/dbraw/zinc/35/40/49/790354049.db2.gz AIWZMMXBMVTTQK-MRXNPFEDSA-N 1 3 321.509 2.299 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001072982783 790354055 /nfs/dbraw/zinc/35/40/55/790354055.db2.gz AIWZMMXBMVTTQK-MRXNPFEDSA-N 1 3 321.509 2.299 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001072979652 790352796 /nfs/dbraw/zinc/35/27/96/790352796.db2.gz GXUZIDQZYIMVPR-HOTGVXAUSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@H](C)C[N@H+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001072979652 790352805 /nfs/dbraw/zinc/35/28/05/790352805.db2.gz GXUZIDQZYIMVPR-HOTGVXAUSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H](c1ccccc1)[N@@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001073016414 790386229 /nfs/dbraw/zinc/38/62/29/790386229.db2.gz YBHSBKYFKZBDKU-HNNXBMFYSA-N 1 3 324.428 2.248 20 0 DEADHO C[C@@H](c1ccccc1)[N@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001073016414 790386233 /nfs/dbraw/zinc/38/62/33/790386233.db2.gz YBHSBKYFKZBDKU-HNNXBMFYSA-N 1 3 324.428 2.248 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]CC[C@@H](C)F)C1 ZINC001208454600 776594712 /nfs/dbraw/zinc/59/47/12/776594712.db2.gz YWPPKAWWZINXBR-ZIAGYGMSSA-N 1 3 301.450 2.045 20 0 DEADHO Cc1cccc(N2CCCN(C[C@@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC001208614999 776600957 /nfs/dbraw/zinc/60/09/57/776600957.db2.gz GTDOOMROIREAAR-QGZVFWFLSA-N 1 3 302.466 2.244 20 0 DEADHO Cc1cccc(N2CCCN(C[C@@H]3CCC[N@H+](C)C3)CC2)n1 ZINC001208614999 776600963 /nfs/dbraw/zinc/60/09/63/776600963.db2.gz GTDOOMROIREAAR-QGZVFWFLSA-N 1 3 302.466 2.244 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCC(F)(F)F)C1)N(C)C ZINC001209484381 776729198 /nfs/dbraw/zinc/72/91/98/776729198.db2.gz HXUYZTPNVMHXIW-QWHCGFSZSA-N 1 3 323.403 2.106 20 0 DEADHO CC[NH2+]C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001075367644 776746944 /nfs/dbraw/zinc/74/69/44/776746944.db2.gz VVUOUASAKXSGDG-YJBOKZPZSA-N 1 3 317.477 2.456 20 0 DEADHO CC[C@@H](C(=O)NCCC1(C[NH2+]Cc2ccccc2)CC1)N(C)C ZINC001167261173 776810114 /nfs/dbraw/zinc/81/01/14/776810114.db2.gz YEFMTDJCHLBIIF-KRWDZBQOSA-N 1 3 317.477 2.403 20 0 DEADHO CCCC[NH2+]CC[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001104294388 776953203 /nfs/dbraw/zinc/95/32/03/776953203.db2.gz NAKAORWZWXVJNJ-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+]C/C=C/Cl ZINC001167633451 777410147 /nfs/dbraw/zinc/41/01/47/777410147.db2.gz CMZJUFBJZXVHBN-LHRNQBEKSA-N 1 3 301.862 2.098 20 0 DEADHO CC[NH+](CC)CCC[C@@H](C)N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001167827039 778670170 /nfs/dbraw/zinc/67/01/70/778670170.db2.gz RRSPFXSJSSOQAP-QRQLOZEOSA-N 1 3 323.525 2.292 20 0 DEADHO CCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1ccccc1 ZINC001211730109 778790014 /nfs/dbraw/zinc/79/00/14/778790014.db2.gz PLHYTOJJERDTJE-ZWKOTPCHSA-N 1 3 317.477 2.321 20 0 DEADHO CCC[N@@H+]1CCC2(CN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001073455900 790668091 /nfs/dbraw/zinc/66/80/91/790668091.db2.gz PTZOOYAMYLCKSU-UHFFFAOYSA-N 1 3 315.461 2.306 20 0 DEADHO CCC[N@H+]1CCC2(CN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001073455900 790668095 /nfs/dbraw/zinc/66/80/95/790668095.db2.gz PTZOOYAMYLCKSU-UHFFFAOYSA-N 1 3 315.461 2.306 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CC2(C1)CC[N@H+](CC1CCC1)C2 ZINC001073454923 790666430 /nfs/dbraw/zinc/66/64/30/790666430.db2.gz UPGHIZLBLALFIG-HOTGVXAUSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CC2(C1)CC[N@@H+](CC1CCC1)C2 ZINC001073454923 790666437 /nfs/dbraw/zinc/66/64/37/790666437.db2.gz UPGHIZLBLALFIG-HOTGVXAUSA-N 1 3 319.493 2.194 20 0 DEADHO OC1(C(F)(F)F)CC(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167965389 779112888 /nfs/dbraw/zinc/11/28/88/779112888.db2.gz DRLCGPMIQTTZEQ-QRFUTXMCSA-N 1 3 318.383 2.437 20 0 DEADHO OC1(C(F)(F)F)CC(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167965389 779112890 /nfs/dbraw/zinc/11/28/90/779112890.db2.gz DRLCGPMIQTTZEQ-QRFUTXMCSA-N 1 3 318.383 2.437 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)CC[N@@H+]1CC1CC1 ZINC001087671778 779405491 /nfs/dbraw/zinc/40/54/91/779405491.db2.gz PHLTWIPQEQDGOF-KSZLIROESA-N 1 3 319.493 2.240 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)CC[N@H+]1CC1CC1 ZINC001087671778 779405495 /nfs/dbraw/zinc/40/54/95/779405495.db2.gz PHLTWIPQEQDGOF-KSZLIROESA-N 1 3 319.493 2.240 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CC3CCC3)CC[C@@H]2C1 ZINC001088105812 779705689 /nfs/dbraw/zinc/70/56/89/779705689.db2.gz DHPOIDPWXZDKKR-JQHSSLGASA-N 1 3 319.493 2.051 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CC3CCC3)CC[C@@H]2C1 ZINC001088105812 779705698 /nfs/dbraw/zinc/70/56/98/779705698.db2.gz DHPOIDPWXZDKKR-JQHSSLGASA-N 1 3 319.493 2.051 20 0 DEADHO CN(CC(=O)N1CCC([N@H+](C)CCC2CC2)CC1)C1CCC1 ZINC000985468529 779852689 /nfs/dbraw/zinc/85/26/89/779852689.db2.gz WCQXIQHZIVXZAQ-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO CN(CC(=O)N1CCC([N@@H+](C)CCC2CC2)CC1)C1CCC1 ZINC000985468529 779852695 /nfs/dbraw/zinc/85/26/95/779852695.db2.gz WCQXIQHZIVXZAQ-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO CCC(CC)C[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001204798371 779890213 /nfs/dbraw/zinc/89/02/13/779890213.db2.gz IBTJVBPPVBOBAI-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001088326850 779959142 /nfs/dbraw/zinc/95/91/42/779959142.db2.gz ZDXSWPZBYFQSQU-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3cccnc3)CC2)CCO1 ZINC001168093100 780015916 /nfs/dbraw/zinc/01/59/16/780015916.db2.gz LOUCORWKNJYEQV-QAPCUYQASA-N 1 3 303.450 2.451 20 0 DEADHO Cc1c(O)cccc1CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001144121209 790767635 /nfs/dbraw/zinc/76/76/35/790767635.db2.gz GXSNTVWQQLKSEW-UHFFFAOYSA-N 1 3 317.477 2.160 20 0 DEADHO COc1cccnc1N1CCN(C2CCC([NH+](C)C)CC2)CC1 ZINC001168327897 780843582 /nfs/dbraw/zinc/84/35/82/780843582.db2.gz SLIDDQKHQGLVKM-UHFFFAOYSA-N 1 3 318.465 2.085 20 0 DEADHO C[C@H](CCN[C@@H]1CCN(C(=O)OCc2ccccc2)C1)[NH+](C)C ZINC000697839239 780951661 /nfs/dbraw/zinc/95/16/61/780951661.db2.gz ROROEVQIZHSUAX-NVXWUHKLSA-N 1 3 319.449 2.327 20 0 DEADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]Cc2ccccc2F)C1 ZINC001101039386 780964994 /nfs/dbraw/zinc/96/49/94/780964994.db2.gz JEANJIYTWCAJBG-UHFFFAOYSA-N 1 3 321.440 2.150 20 0 DEADHO O=C([C@@H]1CCCN(C2CC[NH+](CC3CC3)CC2)C1)N1CCCC1 ZINC001168379542 781749317 /nfs/dbraw/zinc/74/93/17/781749317.db2.gz LUZLLAQYZNCWND-QGZVFWFLSA-N 1 3 319.493 2.195 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1CCC1CC1 ZINC001085687871 783966957 /nfs/dbraw/zinc/96/69/57/783966957.db2.gz XAZQVXONPPQABN-ROUUACIJSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1CCC1CC1 ZINC001085687871 783966964 /nfs/dbraw/zinc/96/69/64/783966964.db2.gz XAZQVXONPPQABN-ROUUACIJSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)CCN1CC[C@H]1CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001085695147 783972669 /nfs/dbraw/zinc/97/26/69/783972669.db2.gz BBOBFVBJFSZFCH-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H]2CCN2CC2CC2)C1 ZINC001085778906 784068483 /nfs/dbraw/zinc/06/84/83/784068483.db2.gz JUFGUYZEGBYLCK-IRXDYDNUSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@@H]2CCN2CC2CC2)C1 ZINC001085778906 784068491 /nfs/dbraw/zinc/06/84/91/784068491.db2.gz JUFGUYZEGBYLCK-IRXDYDNUSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1C[C@@H](N2CC3(C2)CC[NH+](C)CC3)CN1C(=O)OC(C)(C)C ZINC001168872201 784952795 /nfs/dbraw/zinc/95/27/95/784952795.db2.gz LLIOYWUTOGPBAM-HUUCEWRRSA-N 1 3 323.481 2.412 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(c3ccc(O)cc3)CC1)C2 ZINC001169125634 785048637 /nfs/dbraw/zinc/04/86/37/785048637.db2.gz KGBQFTXCQPOYHI-FVQHAEBGSA-N 1 3 301.434 2.139 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@]3(C[C@@H](OCC4CC4)CO3)C1)C2 ZINC001169137582 785053660 /nfs/dbraw/zinc/05/36/60/785053660.db2.gz DKXDTOUKQJCWNE-SPOLIRPYSA-N 1 3 320.477 2.272 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@]3(C[C@@H](OCC4CC4)CO3)C1)C2 ZINC001169137582 785053662 /nfs/dbraw/zinc/05/36/62/785053662.db2.gz DKXDTOUKQJCWNE-SPOLIRPYSA-N 1 3 320.477 2.272 20 0 DEADHO CCOC(=O)[C@H]1CC[C@H]([N@H+](CCCN)C2CCCCC2)CO1 ZINC001169320074 785132117 /nfs/dbraw/zinc/13/21/17/785132117.db2.gz HLGUPWZLDHUVPW-JKSUJKDBSA-N 1 3 312.454 2.081 20 0 DEADHO CCOC(=O)[C@H]1CC[C@H]([N@@H+](CCCN)C2CCCCC2)CO1 ZINC001169320074 785132120 /nfs/dbraw/zinc/13/21/20/785132120.db2.gz HLGUPWZLDHUVPW-JKSUJKDBSA-N 1 3 312.454 2.081 20 0 DEADHO C[NH+](C)CCC(C)(C)Nc1cncc(OCCN2CCCC2)n1 ZINC001169716770 785323811 /nfs/dbraw/zinc/32/38/11/785323811.db2.gz WOWKESMDXPKEII-UHFFFAOYSA-N 1 3 321.469 2.093 20 0 DEADHO [NH3+]C1(c2cccnc2)CCN([C@@H]2CCCC3(C2)OCCO3)CC1 ZINC001169926137 785431451 /nfs/dbraw/zinc/43/14/51/785431451.db2.gz VVSNWLDIWCNMQN-MRXNPFEDSA-N 1 3 317.433 2.017 20 0 DEADHO Cc1ccc(CN2CCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001009506220 785468612 /nfs/dbraw/zinc/46/86/12/785468612.db2.gz CXABQRHEMRSFMO-MSOLQXFVSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccc(CN2CCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001009506220 785468620 /nfs/dbraw/zinc/46/86/20/785468620.db2.gz CXABQRHEMRSFMO-MSOLQXFVSA-N 1 3 315.461 2.027 20 0 DEADHO CN(C)C1(C(=O)NCC[NH2+]CC/C=C/c2ccccc2)CCC1 ZINC001129357469 785493148 /nfs/dbraw/zinc/49/31/48/785493148.db2.gz MBWISGDALIAAJL-IZZDOVSWSA-N 1 3 315.461 2.280 20 0 DEADHO CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(N(C)C)CCC1)C2 ZINC001108703382 785494276 /nfs/dbraw/zinc/49/42/76/785494276.db2.gz PCDXEFRAKRFGDY-JYJNAYRXSA-N 1 3 307.482 2.240 20 0 DEADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+](C)C)C3)cc1 ZINC001109668785 785982518 /nfs/dbraw/zinc/98/25/18/785982518.db2.gz AWGRHZWZFPKVDX-SQNIBIBYSA-N 1 3 315.461 2.168 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC(CC)CC)C1 ZINC001014630160 786668516 /nfs/dbraw/zinc/66/85/16/786668516.db2.gz MRFSONWHSQHYQT-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC(CC)CC)C1 ZINC001014630160 786668519 /nfs/dbraw/zinc/66/85/19/786668519.db2.gz MRFSONWHSQHYQT-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H]1C[C@@H]([NH2+]C2CCN(CC3CCOCC3)CC2)CCO1 ZINC001170198647 786853313 /nfs/dbraw/zinc/85/33/13/786853313.db2.gz ZPBYFGZGJLSCAR-ROUUACIJSA-N 1 3 310.482 2.425 20 0 DEADHO CC(C)=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001157702214 786855621 /nfs/dbraw/zinc/85/56/21/786855621.db2.gz ONGZNSWODAMAEW-IAGOWNOFSA-N 1 3 307.482 2.360 20 0 DEADHO CC(C)=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001157702214 786855626 /nfs/dbraw/zinc/85/56/26/786855626.db2.gz ONGZNSWODAMAEW-IAGOWNOFSA-N 1 3 307.482 2.360 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2CC(C)C)C1 ZINC001015051715 786878146 /nfs/dbraw/zinc/87/81/46/786878146.db2.gz DPKNIZUQMUPRLD-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2CC(C)C)C1 ZINC001015051715 786878156 /nfs/dbraw/zinc/87/81/56/786878156.db2.gz DPKNIZUQMUPRLD-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC1CC(C[N@@H+]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C2)C1 ZINC001015503322 787085495 /nfs/dbraw/zinc/08/54/95/787085495.db2.gz JVBGNFZJSMXAAT-UYSNPLJNSA-N 1 3 307.482 2.097 20 0 DEADHO CC1CC(C[N@H+]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C2)C1 ZINC001015503322 787085500 /nfs/dbraw/zinc/08/55/00/787085500.db2.gz JVBGNFZJSMXAAT-UYSNPLJNSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1cc(C)c(C[NH2+]CCNC(=O)[C@@H](C2CC2)N(C)C)c(C)c1 ZINC001129435962 787213895 /nfs/dbraw/zinc/21/38/95/787213895.db2.gz KRPBUKKOYLEAGU-GOSISDBHSA-N 1 3 317.477 2.158 20 0 DEADHO Cc1cc(C)c(C[NH2+]CCNC(=O)[C@H](C2CC2)N(C)C)c(C)c1 ZINC001129435963 787213951 /nfs/dbraw/zinc/21/39/51/787213951.db2.gz KRPBUKKOYLEAGU-SFHVURJKSA-N 1 3 317.477 2.158 20 0 DEADHO CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001097218851 788026023 /nfs/dbraw/zinc/02/60/23/788026023.db2.gz LIJXYDQWVAIRES-WCXIOVBPSA-N 1 3 305.466 2.135 20 0 DEADHO CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001097218851 788026032 /nfs/dbraw/zinc/02/60/32/788026032.db2.gz LIJXYDQWVAIRES-WCXIOVBPSA-N 1 3 305.466 2.135 20 0 DEADHO CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCN1CC(C)C)C2 ZINC001097406369 788098092 /nfs/dbraw/zinc/09/80/92/788098092.db2.gz XTFAHMONUWADMQ-NCOADZHNSA-N 1 3 307.482 2.238 20 0 DEADHO CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCN1CC(C)C)C2 ZINC001097406369 788098101 /nfs/dbraw/zinc/09/81/01/788098101.db2.gz XTFAHMONUWADMQ-NCOADZHNSA-N 1 3 307.482 2.238 20 0 DEADHO C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C[NH2+]CC1CC1 ZINC001133120775 788286977 /nfs/dbraw/zinc/28/69/77/788286977.db2.gz ASVRWMVFHIDAFC-WBVHZDCISA-N 1 3 323.525 2.449 20 0 DEADHO CC(C)[C@H](C(=O)NCC[NH2+]CC1CCC(C)(C)CC1)N(C)C ZINC001133419290 788409661 /nfs/dbraw/zinc/40/96/61/788409661.db2.gz LRAZAEQVPORGBV-MRXNPFEDSA-N 1 3 311.514 2.495 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]CCCCc1ccccc1 ZINC001133819803 788618038 /nfs/dbraw/zinc/61/80/38/788618038.db2.gz OGIHKQAIZRLSPZ-QGZVFWFLSA-N 1 3 317.477 2.199 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]CCCCc1ccccc1 ZINC001133819802 788618644 /nfs/dbraw/zinc/61/86/44/788618644.db2.gz OGIHKQAIZRLSPZ-KRWDZBQOSA-N 1 3 317.477 2.199 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]Cc1ccccc1C1CC1 ZINC001133823305 788620182 /nfs/dbraw/zinc/62/01/82/788620182.db2.gz BKPDUACVBYEEOT-HNNXBMFYSA-N 1 3 315.461 2.254 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+][C@H]1CCc2c1cccc2F ZINC001133833657 788627204 /nfs/dbraw/zinc/62/72/04/788627204.db2.gz BMYARXJZOHJEBQ-DYVFJYSZSA-N 1 3 319.424 2.003 20 0 DEADHO C[C@H]([NH2+]CCNC(=O)CN1CCC[C@H]1C)c1ccc(F)cc1 ZINC001133834008 788627635 /nfs/dbraw/zinc/62/76/35/788627635.db2.gz LNFBJQAXZVIMKS-KGLIPLIRSA-N 1 3 307.413 2.077 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[NH2+]Cc2ccccc2C2CC2)C1 ZINC001133845814 788638538 /nfs/dbraw/zinc/63/85/38/788638538.db2.gz NUMGFNJGFQRAML-HNNXBMFYSA-N 1 3 315.461 2.112 20 0 DEADHO CC1CCC(C[NH2+]CCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001133906017 788666031 /nfs/dbraw/zinc/66/60/31/788666031.db2.gz NCSGASVTIYHJHJ-UHFFFAOYSA-N 1 3 311.514 2.496 20 0 DEADHO C[C@H](C[C@H](C)NC(=O)CN(C)C1CCC1)[NH2+]Cc1cncs1 ZINC001134613055 788998005 /nfs/dbraw/zinc/99/80/05/788998005.db2.gz RRTMPSOSFBUTNW-OLZOCXBDSA-N 1 3 324.494 2.000 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+]C/C=C\c1ccc(Cl)cc1 ZINC001135510595 789381103 /nfs/dbraw/zinc/38/11/03/789381103.db2.gz BOOWLHFUVZOPTP-WAYWQWQTSA-N 1 3 323.868 2.401 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccsc1 ZINC001135705548 789460262 /nfs/dbraw/zinc/46/02/62/789460262.db2.gz FGBUPOBPHDGFQK-KGLIPLIRSA-N 1 3 311.495 2.463 20 0 DEADHO Cc1nocc1CN[C@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001135967326 789577907 /nfs/dbraw/zinc/57/79/07/789577907.db2.gz UQAIQUWVFUYPIK-ZIAGYGMSSA-N 1 3 324.469 2.088 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCCCF ZINC001135980840 789581290 /nfs/dbraw/zinc/58/12/90/789581290.db2.gz TVVHOQKCOMKPRK-HUUCEWRRSA-N 1 3 303.466 2.341 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1cc(C)no1 ZINC001135973724 789584741 /nfs/dbraw/zinc/58/47/41/789584741.db2.gz COGUSNBONUCOSF-KGLIPLIRSA-N 1 3 324.469 2.088 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1cc(C)no1 ZINC001135973724 789584749 /nfs/dbraw/zinc/58/47/49/789584749.db2.gz COGUSNBONUCOSF-KGLIPLIRSA-N 1 3 324.469 2.088 20 0 DEADHO CC[N@@H+]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)CC[C@@H]1C ZINC001072095247 790051124 /nfs/dbraw/zinc/05/11/24/790051124.db2.gz GVZBHTOIRSKSDB-WMLDXEAASA-N 1 3 303.450 2.351 20 0 DEADHO CC[N@H+]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)CC[C@@H]1C ZINC001072095247 790051127 /nfs/dbraw/zinc/05/11/27/790051127.db2.gz GVZBHTOIRSKSDB-WMLDXEAASA-N 1 3 303.450 2.351 20 0 DEADHO C[C@H](C[C@@H](C)[NH2+]CCF)NC(=O)c1ccccc1CN(C)C ZINC001146581868 791315977 /nfs/dbraw/zinc/31/59/77/791315977.db2.gz DEKASGBOVWMZEL-ZIAGYGMSSA-N 1 3 309.429 2.204 20 0 DEADHO C[NH+]1CCC2(CCN(C(=O)[C@@H](N)C3CCCCC3)CC2)CC1 ZINC001160993592 791354627 /nfs/dbraw/zinc/35/46/27/791354627.db2.gz YDUDVHUULPXFHH-INIZCTEOSA-N 1 3 307.482 2.228 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC2(C1)CC[N@H+](CC1CCCC1)C2 ZINC001147819609 791630505 /nfs/dbraw/zinc/63/05/05/791630505.db2.gz IRIZZMUIHJMZNU-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC2(C1)CC[N@@H+](CC1CCCC1)C2 ZINC001147819609 791630510 /nfs/dbraw/zinc/63/05/10/791630510.db2.gz IRIZZMUIHJMZNU-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001148226916 791716606 /nfs/dbraw/zinc/71/66/06/791716606.db2.gz XOZXXCCDGIEMQE-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CCCCC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001148226916 791716611 /nfs/dbraw/zinc/71/66/11/791716611.db2.gz XOZXXCCDGIEMQE-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC3CC3)C[C@@]2(C)C1 ZINC001091721289 791746891 /nfs/dbraw/zinc/74/68/91/791746891.db2.gz ZDPMAKIGXHBFHN-AOIWGVFYSA-N 1 3 319.493 2.051 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC3CC3)C[C@@]2(C)C1 ZINC001091721289 791746896 /nfs/dbraw/zinc/74/68/96/791746896.db2.gz ZDPMAKIGXHBFHN-AOIWGVFYSA-N 1 3 319.493 2.051 20 0 DEADHO CCC[N@@H+](C)CCC(=O)NCCNCc1ccc(Cl)s1 ZINC001148571148 791766580 /nfs/dbraw/zinc/76/65/80/791766580.db2.gz XYEUALZGYOUFKH-UHFFFAOYSA-N 1 3 317.886 2.339 20 0 DEADHO CCC[N@H+](C)CCC(=O)NCCNCc1ccc(Cl)s1 ZINC001148571148 791766575 /nfs/dbraw/zinc/76/65/75/791766575.db2.gz XYEUALZGYOUFKH-UHFFFAOYSA-N 1 3 317.886 2.339 20 0 DEADHO CC/C=C\CC[N@@H+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001148838912 791809249 /nfs/dbraw/zinc/80/92/49/791809249.db2.gz HMNNGSMELYKETO-SREVYHEPSA-N 1 3 307.482 2.217 20 0 DEADHO CC/C=C\CC[N@H+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001148838912 791809251 /nfs/dbraw/zinc/80/92/51/791809251.db2.gz HMNNGSMELYKETO-SREVYHEPSA-N 1 3 307.482 2.217 20 0 DEADHO CC[C@H](C(=O)N1CC2(C[C@@H]1C)CC[NH+](CC1CC1)CC2)N(C)C ZINC001086928955 791859551 /nfs/dbraw/zinc/85/95/51/791859551.db2.gz SQQUMQJLHLDZHF-DOTOQJQBSA-N 1 3 321.509 2.440 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(C)C)C[C@@]2(C)C1 ZINC001092302932 791973234 /nfs/dbraw/zinc/97/32/34/791973234.db2.gz HUNPKGCGOXJRCE-AOIWGVFYSA-N 1 3 321.509 2.297 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(C)C)C[C@@]2(C)C1 ZINC001092302932 791973237 /nfs/dbraw/zinc/97/32/37/791973237.db2.gz HUNPKGCGOXJRCE-AOIWGVFYSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001099491369 792222172 /nfs/dbraw/zinc/22/21/72/792222172.db2.gz IEXICRBHRRFERH-JZXOWHBKSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)(C(=O)NCC1CC([NH2+]CC2CC2)C1)N1CCCCC1 ZINC001100334970 792597356 /nfs/dbraw/zinc/59/73/56/792597356.db2.gz CZRTWCLIRHUWKR-UHFFFAOYSA-N 1 3 307.482 2.145 20 0 DEADHO CN(C)[C@@H](C(=O)NCC1CC([NH2+]CC2CCCC2)C1)C1CC1 ZINC001100406588 792631840 /nfs/dbraw/zinc/63/18/40/792631840.db2.gz CMKSRMJNOWQXFL-BDVYOWHSSA-N 1 3 307.482 2.001 20 0 DEADHO CC[C@H](C(=O)NCC1CC([NH2+]CCc2ccccc2)C1)N(C)C ZINC001100442372 792654468 /nfs/dbraw/zinc/65/44/68/792654468.db2.gz DQTGCHCMFQUNRS-DAWZGUTISA-N 1 3 317.477 2.054 20 0 DEADHO CC(C)[C@H](C(=O)NCC1CC([NH2+]CCC(F)(F)F)C1)N(C)C ZINC001100647491 792766667 /nfs/dbraw/zinc/76/66/67/792766667.db2.gz YHDFUGGYJRVDHY-WXRRBKDZSA-N 1 3 323.403 2.009 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC2CC([NH2+]CCC3CCCC3)C2)C1 ZINC001100678705 792783727 /nfs/dbraw/zinc/78/37/27/792783727.db2.gz UHASQHRCGZXDGC-ZLPCBKJTSA-N 1 3 321.509 2.393 20 0 DEADHO C[C@@H](C(=O)NCC1CC([NH2+]CC2CC2)C1)N1CCCCCC1 ZINC001100732029 792818611 /nfs/dbraw/zinc/81/86/11/792818611.db2.gz QISQEIUBOIIHHL-OOHWJJMZSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)C[C@H](C)C[NH2+]C1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001101036395 792977538 /nfs/dbraw/zinc/97/75/38/792977538.db2.gz PPMAMEFYOYKJGU-GTPINHCMSA-N 1 3 311.514 2.493 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]CCCOC ZINC001171587149 793128252 /nfs/dbraw/zinc/12/82/52/793128252.db2.gz YYWWIWBDBRDOGL-HNNXBMFYSA-N 1 3 315.502 2.018 20 0 DEADHO COC(=O)CC[N@H+](CCCN(C)C)[C@H]1Cc2cccc(F)c2C1 ZINC001171801170 793217231 /nfs/dbraw/zinc/21/72/31/793217231.db2.gz JCWMPPRBVNWTQD-HNNXBMFYSA-N 1 3 322.424 2.110 20 0 DEADHO COC(=O)CC[N@@H+](CCCN(C)C)[C@H]1Cc2cccc(F)c2C1 ZINC001171801170 793217235 /nfs/dbraw/zinc/21/72/35/793217235.db2.gz JCWMPPRBVNWTQD-HNNXBMFYSA-N 1 3 322.424 2.110 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[C@H](Oc3ncc(F)cn3)C1)C2 ZINC001172133972 793324085 /nfs/dbraw/zinc/32/40/85/793324085.db2.gz UXFQHPSEPCGDCJ-JJXSEGSLSA-N 1 3 320.412 2.084 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[C@H](Oc3ncc(F)cn3)C1)C2 ZINC001172133972 793324095 /nfs/dbraw/zinc/32/40/95/793324095.db2.gz UXFQHPSEPCGDCJ-JJXSEGSLSA-N 1 3 320.412 2.084 20 0 DEADHO COc1cccc([C@@H](CO)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)c1 ZINC001172107406 793332009 /nfs/dbraw/zinc/33/20/09/793332009.db2.gz XBSICLFFAACZDH-KYHPRHEASA-N 1 3 304.434 2.334 20 0 DEADHO CCC(CC)N1CCC([NH2+][C@@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172164159 793357628 /nfs/dbraw/zinc/35/76/28/793357628.db2.gz YRPNDRAIRXZJJU-WBVHZDCISA-N 1 3 307.482 2.382 20 0 DEADHO COCCC[NH+]1CCC(NCCOc2ccccc2F)CC1 ZINC001172244808 793384028 /nfs/dbraw/zinc/38/40/28/793384028.db2.gz ZNBZDOXKDRISIA-UHFFFAOYSA-N 1 3 310.413 2.295 20 0 DEADHO CCOC(=O)CC1([NH3+])CCN([C@H](C)CCOCC(C)C)CC1 ZINC001172464575 793434151 /nfs/dbraw/zinc/43/41/51/793434151.db2.gz BVZBQFPMLUZUSH-OAHLLOKOSA-N 1 3 314.470 2.184 20 0 DEADHO CCOC(=O)CC1(N)CC[NH+]([C@H](C)CCOCC(C)C)CC1 ZINC001172464575 793434153 /nfs/dbraw/zinc/43/41/53/793434153.db2.gz BVZBQFPMLUZUSH-OAHLLOKOSA-N 1 3 314.470 2.184 20 0 DEADHO [NH3+][C@H]1CCC[C@H](N[C@@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172665396 793473325 /nfs/dbraw/zinc/47/33/25/793473325.db2.gz ZFDMXIIKLZRTQX-YESZJQIVSA-N 1 3 301.434 2.037 20 0 DEADHO CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)(C)C1)C2 ZINC001094999553 793566978 /nfs/dbraw/zinc/56/69/78/793566978.db2.gz IEPBJGHVTZEGKE-JYJNAYRXSA-N 1 3 307.482 2.097 20 0 DEADHO CC[NH+](CC)C1CCC(N2CCO[C@@H]3C[C@H](CO)C[C@@H]32)CC1 ZINC001173110207 793581501 /nfs/dbraw/zinc/58/15/01/793581501.db2.gz PWRNXINQKHBNJV-ZTJXHEDMSA-N 1 3 310.482 2.111 20 0 DEADHO CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(CN(C)C)c1)C2 ZINC001095060987 793634462 /nfs/dbraw/zinc/63/44/62/793634462.db2.gz MWSHRXDNYVJSOW-SZMVWBNQSA-N 1 3 315.461 2.351 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102600607 793668417 /nfs/dbraw/zinc/66/84/17/793668417.db2.gz MKYGUCLEJDANQL-NXVGNOFTSA-N 1 3 309.498 2.367 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102600607 793668420 /nfs/dbraw/zinc/66/84/20/793668420.db2.gz MKYGUCLEJDANQL-NXVGNOFTSA-N 1 3 309.498 2.367 20 0 DEADHO Cc1cc(C[NH2+]CCCNC(=O)Cc2nc[nH]c2C)c(C)s1 ZINC001174691147 794042371 /nfs/dbraw/zinc/04/23/71/794042371.db2.gz ICNPNLSQRPONSC-UHFFFAOYSA-N 1 3 320.462 2.235 20 0 DEADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1C)N(C)C ZINC001103443608 794094617 /nfs/dbraw/zinc/09/46/17/794094617.db2.gz CBTRFCPRHMYVCR-OUONAIIESA-N 1 3 315.889 2.153 20 0 DEADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1C)N(C)C ZINC001103443608 794094622 /nfs/dbraw/zinc/09/46/22/794094622.db2.gz CBTRFCPRHMYVCR-OUONAIIESA-N 1 3 315.889 2.153 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)CCCC[NH2+]CCCF)N(C)C ZINC001175107294 794131807 /nfs/dbraw/zinc/13/18/07/794131807.db2.gz MUEAADOHESOLSV-HUUCEWRRSA-N 1 3 303.466 2.197 20 0 DEADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C ZINC001103550584 794141355 /nfs/dbraw/zinc/14/13/55/794141355.db2.gz XUDPGMGIGBQUOX-NVXWUHKLSA-N 1 3 309.498 2.203 20 0 DEADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C ZINC001103550584 794141359 /nfs/dbraw/zinc/14/13/59/794141359.db2.gz XUDPGMGIGBQUOX-NVXWUHKLSA-N 1 3 309.498 2.203 20 0 DEADHO CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001175262588 794171940 /nfs/dbraw/zinc/17/19/40/794171940.db2.gz HWTZFWWJJRQZEW-RHSMWYFYSA-N 1 3 315.477 2.483 20 0 DEADHO CC[NH2+]CCCC[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001175262589 794172015 /nfs/dbraw/zinc/17/20/15/794172015.db2.gz HWTZFWWJJRQZEW-WMLDXEAASA-N 1 3 315.477 2.483 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCCCOC)N(C)C ZINC001175302403 794175992 /nfs/dbraw/zinc/17/59/92/794175992.db2.gz AKMMRWDNRMZHLY-CVEARBPZSA-N 1 3 315.502 2.018 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1cccnc1)N(C)C ZINC001175318040 794181326 /nfs/dbraw/zinc/18/13/26/794181326.db2.gz UTFGQMLHZYIUET-RDJZCZTQSA-N 1 3 320.481 2.186 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC001103757396 794214941 /nfs/dbraw/zinc/21/49/41/794214941.db2.gz ZEDCZBXKLNLTQN-ZACQAIPSSA-N 1 3 309.498 2.343 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC001103757396 794214948 /nfs/dbraw/zinc/21/49/48/794214948.db2.gz ZEDCZBXKLNLTQN-ZACQAIPSSA-N 1 3 309.498 2.343 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1conc1C ZINC001175768741 794284753 /nfs/dbraw/zinc/28/47/53/794284753.db2.gz MZJPWSDXSZGTEP-AWEZNQCLSA-N 1 3 324.469 2.089 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1cc(C)no1 ZINC001176279695 794389995 /nfs/dbraw/zinc/38/99/95/794389995.db2.gz PPMZARWEQRIIEW-CQSZACIVSA-N 1 3 324.469 2.089 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]C[C@H](CC)OC ZINC001176285250 794390463 /nfs/dbraw/zinc/39/04/63/794390463.db2.gz NYYDCBWTWNINQA-HOTGVXAUSA-N 1 3 315.502 2.018 20 0 DEADHO Cc1ncoc1C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C(C)C ZINC001176753242 794497262 /nfs/dbraw/zinc/49/72/62/794497262.db2.gz DETIICBLRXGJOY-CQSZACIVSA-N 1 3 324.469 2.088 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCCC[NH2+]C/C=C/Cl)c1 ZINC001176890559 794524358 /nfs/dbraw/zinc/52/43/58/794524358.db2.gz WWKMHBNMJWSUTR-XBXARRHUSA-N 1 3 309.841 2.210 20 0 DEADHO CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001112413378 794628457 /nfs/dbraw/zinc/62/84/57/794628457.db2.gz LCVQNBOXNGSURB-BQFCYCMXSA-N 1 3 309.498 2.201 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC001115156605 794691806 /nfs/dbraw/zinc/69/18/06/794691806.db2.gz REZMVODIHRRTGK-QLPKVWCKSA-N 1 3 321.490 2.026 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC001115156605 794691814 /nfs/dbraw/zinc/69/18/14/794691814.db2.gz REZMVODIHRRTGK-QLPKVWCKSA-N 1 3 321.490 2.026 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)CC(C)C)C[C@H]21 ZINC001115161619 794692900 /nfs/dbraw/zinc/69/29/00/794692900.db2.gz IVAAMVJFQWWWDI-CBZIJGRNSA-N 1 3 309.498 2.057 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)CC(C)C)C[C@H]21 ZINC001115161619 794692903 /nfs/dbraw/zinc/69/29/03/794692903.db2.gz IVAAMVJFQWWWDI-CBZIJGRNSA-N 1 3 309.498 2.057 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CCCC2CCC2)CCN1C(=O)[C@@H]1CCCN1C ZINC001178359094 794908588 /nfs/dbraw/zinc/90/85/88/794908588.db2.gz BJWPKKXTLXPFRF-XIRDDKMYSA-N 1 3 307.482 2.240 20 0 DEADHO CC/C=C\CC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC001178902117 795027257 /nfs/dbraw/zinc/02/72/57/795027257.db2.gz ADCVKEVNQYJZGL-RDTQODSXSA-N 1 3 307.482 2.406 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C)[C@@H]1C ZINC001179764323 795174717 /nfs/dbraw/zinc/17/47/17/795174717.db2.gz ZTGWXLHZCDNYIB-WMZOPIPTSA-N 1 3 317.477 2.416 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2)[C@@H]1C ZINC001179763621 795174945 /nfs/dbraw/zinc/17/49/45/795174945.db2.gz MYQXIKZRTZVYFB-RDJZCZTQSA-N 1 3 303.450 2.107 20 0 DEADHO C[C@@H](C(=O)N(CC[NH3+])C12CC3CC(CC(C3)C1)C2)N1CCCC1 ZINC001180582842 795337221 /nfs/dbraw/zinc/33/72/21/795337221.db2.gz RLWZVGLKKGAOIW-ISOUWHGUSA-N 1 3 319.493 2.227 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]CCCF)CCCCC1 ZINC001120046456 795398742 /nfs/dbraw/zinc/39/87/42/795398742.db2.gz YWWRTSFQTTVKAS-UHFFFAOYSA-N 1 3 301.450 2.097 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CC)C1 ZINC001120402972 795453671 /nfs/dbraw/zinc/45/36/71/795453671.db2.gz UAPGQZDPXACHND-JKSUJKDBSA-N 1 3 309.498 2.440 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CC)C1 ZINC001120402972 795453673 /nfs/dbraw/zinc/45/36/73/795453673.db2.gz UAPGQZDPXACHND-JKSUJKDBSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCC2)C1)N(C)C ZINC001181884927 795556469 /nfs/dbraw/zinc/55/64/69/795556469.db2.gz MHOXIBFRDDQWNE-QGPMSJSTSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)=CC[NH2+]C1CC2(CC(NC(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001121767775 795684605 /nfs/dbraw/zinc/68/46/05/795684605.db2.gz KMHMVTDEQHYMOU-KZIPQDEESA-N 1 3 319.493 2.454 20 0 DEADHO C[NH2+]CCCCC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC001121991654 795713978 /nfs/dbraw/zinc/71/39/78/795713978.db2.gz XGNPGPNQEZVVTF-KRWDZBQOSA-N 1 3 303.450 2.329 20 0 DEADHO C[NH2+]CCCCC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC001122033643 795719768 /nfs/dbraw/zinc/71/97/68/795719768.db2.gz ZLJNHVCNRFIBBX-HNNXBMFYSA-N 1 3 311.857 2.449 20 0 DEADHO CCC[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C ZINC001185170816 796202421 /nfs/dbraw/zinc/20/24/21/796202421.db2.gz RZTXAJMXOFTCIL-HOTGVXAUSA-N 1 3 309.498 2.203 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H](C[NH2+]CC=C(C)C)[C@H](C)C1 ZINC001185361310 796238760 /nfs/dbraw/zinc/23/87/60/796238760.db2.gz YEKVWGOVZHHFOQ-IAGOWNOFSA-N 1 3 309.498 2.369 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H](C[NH2+]CCC(C)C)[C@H](C)C1 ZINC001185361442 796238915 /nfs/dbraw/zinc/23/89/15/796238915.db2.gz YMYPTFLOJLGJQF-IAGOWNOFSA-N 1 3 311.514 2.449 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001186452383 796403153 /nfs/dbraw/zinc/40/31/53/796403153.db2.gz OKBXFHUSAUYJDU-WMLDXEAASA-N 1 3 321.440 2.419 20 0 DEADHO CN1CCN(C2CC[NH+](Cc3cc4ccccc4cn3)CC2)CC1 ZINC001139997484 796461448 /nfs/dbraw/zinc/46/14/48/796461448.db2.gz GUJMOABEICAOPY-UHFFFAOYSA-N 1 3 324.472 2.447 20 0 DEADHO CCN(CC)CC(=O)N1CCC([NH2+]Cc2ccsc2)CC1 ZINC001203010491 796487670 /nfs/dbraw/zinc/48/76/70/796487670.db2.gz OAYPRFCZLRDNFK-UHFFFAOYSA-N 1 3 309.479 2.171 20 0 DEADHO CN(C)C(=O)CN1CCC2(CC[C@@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001203008893 796488478 /nfs/dbraw/zinc/48/84/78/796488478.db2.gz NMMLGRGWRWPVJN-INIZCTEOSA-N 1 3 319.449 2.044 20 0 DEADHO CN(C)C(=O)CN1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001203008893 796488481 /nfs/dbraw/zinc/48/84/81/796488481.db2.gz NMMLGRGWRWPVJN-INIZCTEOSA-N 1 3 319.449 2.044 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2CC)C1 ZINC001187291233 796514957 /nfs/dbraw/zinc/51/49/57/796514957.db2.gz NUTZMTZVORQBEY-GOSISDBHSA-N 1 3 317.477 2.281 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001187322706 796517624 /nfs/dbraw/zinc/51/76/24/796517624.db2.gz SWIVHFKPTFBECA-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001187307103 796522626 /nfs/dbraw/zinc/52/26/26/796522626.db2.gz UTWHWNYIJXQODG-NVXWUHKLSA-N 1 3 303.450 2.280 20 0 DEADHO O=C(CCCC[NH+]1CCCC1)N1CC[C@@H](NC/C=C\Cl)C1 ZINC001188346349 796660180 /nfs/dbraw/zinc/66/01/80/796660180.db2.gz JRYVIJFATWLFDR-GTBONMDNSA-N 1 3 313.873 2.196 20 0 DEADHO CC[C@H](F)CN[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001188346651 796660302 /nfs/dbraw/zinc/66/03/02/796660302.db2.gz UBUMVHHIFBDSFB-JKSUJKDBSA-N 1 3 313.461 2.191 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001189389952 796815931 /nfs/dbraw/zinc/81/59/31/796815931.db2.gz MNECKQSMXWJJOG-JKSUJKDBSA-N 1 3 309.498 2.440 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001189389952 796815933 /nfs/dbraw/zinc/81/59/33/796815933.db2.gz MNECKQSMXWJJOG-JKSUJKDBSA-N 1 3 309.498 2.440 20 0 DEADHO CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001190653820 797050697 /nfs/dbraw/zinc/05/06/97/797050697.db2.gz GSMGHDCEJSMJOW-NGHLMZTLSA-N 1 3 307.482 2.216 20 0 DEADHO CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001190653820 797050701 /nfs/dbraw/zinc/05/07/01/797050701.db2.gz GSMGHDCEJSMJOW-NGHLMZTLSA-N 1 3 307.482 2.216 20 0 DEADHO CC(C)CCC[N@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190674468 797055725 /nfs/dbraw/zinc/05/57/25/797055725.db2.gz AWUPIICMOFUDQW-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CCC[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190674468 797055731 /nfs/dbraw/zinc/05/57/31/797055731.db2.gz AWUPIICMOFUDQW-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC[NH2+]Cc2ccsc2)c1 ZINC001152246183 797162118 /nfs/dbraw/zinc/16/21/18/797162118.db2.gz UFBSKUSTNWXMTH-UHFFFAOYSA-N 1 3 317.458 2.329 20 0 DEADHO Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)CN(C)C(C)C)c1 ZINC001152432133 797186765 /nfs/dbraw/zinc/18/67/65/797186765.db2.gz GLKPNTRNROTWRM-INIZCTEOSA-N 1 3 305.466 2.410 20 0 DEADHO CC(C)N(C)CC(=O)NCC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001152427419 797187173 /nfs/dbraw/zinc/18/71/73/797187173.db2.gz ZYLHPIMEMGBKJV-QGZVFWFLSA-N 1 3 321.440 2.249 20 0 DEADHO Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)CN(C)C(C)C)c1 ZINC001152432134 797187264 /nfs/dbraw/zinc/18/72/64/797187264.db2.gz GLKPNTRNROTWRM-MRXNPFEDSA-N 1 3 305.466 2.410 20 0 DEADHO CC(C)Cc1ccc(C[NH2+]CCNC(=O)CN(C)C(C)C)cc1 ZINC001152431742 797187425 /nfs/dbraw/zinc/18/74/25/797187425.db2.gz CNBFFZFAKAUMIE-UHFFFAOYSA-N 1 3 319.493 2.431 20 0 DEADHO CC[N@H+](CC1CC1)[C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001153368789 797330652 /nfs/dbraw/zinc/33/06/52/797330652.db2.gz YFTUOGFDSAZBJS-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@@H+](CC1CC1)[C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001153368789 797330659 /nfs/dbraw/zinc/33/06/59/797330659.db2.gz YFTUOGFDSAZBJS-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CN(CC(=O)N1CC[C@@H]([N@H+](C)CCC2CC2)C1)CC(C)(C)C ZINC001192398451 797384067 /nfs/dbraw/zinc/38/40/67/797384067.db2.gz QJXYFAVYZYFGLJ-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CN(CC(=O)N1CC[C@@H]([N@@H+](C)CCC2CC2)C1)CC(C)(C)C ZINC001192398451 797384075 /nfs/dbraw/zinc/38/40/75/797384075.db2.gz QJXYFAVYZYFGLJ-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192549939 797404762 /nfs/dbraw/zinc/40/47/62/797404762.db2.gz CMIWLZGUOFCXNY-OGZRUICASA-N 1 3 304.438 2.231 20 0 DEADHO CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192549939 797404768 /nfs/dbraw/zinc/40/47/68/797404768.db2.gz CMIWLZGUOFCXNY-OGZRUICASA-N 1 3 304.438 2.231 20 0 DEADHO CC[N@H+](Cc1ccccc1)[C@H](C)CNC(=O)[C@@H](C1CC1)N(C)C ZINC001153824621 797404905 /nfs/dbraw/zinc/40/49/05/797404905.db2.gz VCNXZXXYLCIEPJ-CRAIPNDOSA-N 1 3 317.477 2.353 20 0 DEADHO CC[N@@H+](Cc1ccccc1)[C@H](C)CNC(=O)[C@@H](C1CC1)N(C)C ZINC001153824621 797404908 /nfs/dbraw/zinc/40/49/08/797404908.db2.gz VCNXZXXYLCIEPJ-CRAIPNDOSA-N 1 3 317.477 2.353 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)Cc2csc(C)c2)C1 ZINC001193289865 797539933 /nfs/dbraw/zinc/53/99/33/797539933.db2.gz ARZNJCKPYGLTAO-MRXNPFEDSA-N 1 3 323.506 2.431 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)Cc2csc(C)c2)C1 ZINC001193289865 797539937 /nfs/dbraw/zinc/53/99/37/797539937.db2.gz ARZNJCKPYGLTAO-MRXNPFEDSA-N 1 3 323.506 2.431 20 0 DEADHO CCN(Cc1ccsc1)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155016920 797661094 /nfs/dbraw/zinc/66/10/94/797661094.db2.gz PYUZZDZVUOVQDL-CQSZACIVSA-N 1 3 323.506 2.417 20 0 DEADHO CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203791070 797698090 /nfs/dbraw/zinc/69/80/90/797698090.db2.gz CEBXJNMKWJHNIN-JKSUJKDBSA-N 1 3 309.498 2.390 20 0 DEADHO Cc1ccc2c(c1)[C@H](Nc1cc(CN)ncn1)CC21CC[NH2+]CC1 ZINC001155436485 797757431 /nfs/dbraw/zinc/75/74/31/797757431.db2.gz KTGOWINXJJUHPW-QGZVFWFLSA-N 1 3 323.444 2.422 20 0 DEADHO Cc1ccc(CC[NH2+]CCNC(=O)CN2[C@H](C)CC[C@@H]2C)cc1 ZINC001152146873 797782605 /nfs/dbraw/zinc/78/26/05/797782605.db2.gz LITQFPNHIZAKKK-CALCHBBNSA-N 1 3 317.477 2.116 20 0 DEADHO [NH3+]Cc1cc2cc(Cl)ccc2n1-c1ncc2c(n1)CCNC2 ZINC001155989519 797899688 /nfs/dbraw/zinc/89/96/88/797899688.db2.gz KLQGIGHSNOWCHR-UHFFFAOYSA-N 1 3 313.792 2.178 20 0 DEADHO CCc1nc(Cl)c(NC(=N)NCCCC[NH3+])c(Cl)n1 ZINC001157098901 798142924 /nfs/dbraw/zinc/14/29/24/798142924.db2.gz FVSDCIVEBSEHDK-UHFFFAOYSA-N 1 3 305.213 2.021 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CCCN(Cc2cccc(C)c2)CC1 ZINC001197705532 798227733 /nfs/dbraw/zinc/22/77/33/798227733.db2.gz AOVLQVJVNYGSBF-UHFFFAOYSA-N 1 3 317.477 2.371 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CCCN(Cc2cccc(C)c2)CC1 ZINC001197705532 798227737 /nfs/dbraw/zinc/22/77/37/798227737.db2.gz AOVLQVJVNYGSBF-UHFFFAOYSA-N 1 3 317.477 2.371 20 0 DEADHO O=C(CCC[NH+]1CCCCC1)N1CCCN(CCCF)CC1 ZINC001198136411 798283530 /nfs/dbraw/zinc/28/35/30/798283530.db2.gz QODURESEYAMQLL-UHFFFAOYSA-N 1 3 313.461 2.146 20 0 DEADHO N[C@@H](CC1CCC1)C(=O)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001158031210 798329785 /nfs/dbraw/zinc/32/97/85/798329785.db2.gz IOIWSQBJIYYLKV-FUHWJXTLSA-N 1 3 307.482 2.276 20 0 DEADHO CC1CC(C[NH2+]CCCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001158079755 798338624 /nfs/dbraw/zinc/33/86/24/798338624.db2.gz PFQKYVIHUUNMBL-UHFFFAOYSA-N 1 3 309.498 2.393 20 0 DEADHO CCN[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccccc1OC ZINC001198885421 798413322 /nfs/dbraw/zinc/41/33/22/798413322.db2.gz GYGVUVLHODNNOD-DOTOQJQBSA-N 1 3 321.465 2.048 20 0 DEADHO CCC[NH2+][C@H](CNC(=O)CN(CC)CC)c1ccccc1OC ZINC001198939708 798417533 /nfs/dbraw/zinc/41/75/33/798417533.db2.gz MBXFMVOQUTZNND-MRXNPFEDSA-N 1 3 321.465 2.194 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)[C@H](C2CC2)N(C)C)cc1F ZINC001159931277 798626806 /nfs/dbraw/zinc/62/68/06/798626806.db2.gz BXJUDMMFCPRJKV-KRWDZBQOSA-N 1 3 321.440 2.070 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)[C@@H](C2CC2)N(C)C)cc1F ZINC001159931279 798626843 /nfs/dbraw/zinc/62/68/43/798626843.db2.gz BXJUDMMFCPRJKV-QGZVFWFLSA-N 1 3 321.440 2.070 20 0 DEADHO Cc1cccc([C@H](C)[NH2+]CCCNC(=O)[C@H](C2CC2)N(C)C)c1 ZINC001159931773 798627825 /nfs/dbraw/zinc/62/78/25/798627825.db2.gz HTQDSJIUKLLHGF-YJBOKZPZSA-N 1 3 317.477 2.492 20 0 DEADHO C[C@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C)c1ccccc1F ZINC001159932622 798628156 /nfs/dbraw/zinc/62/81/56/798628156.db2.gz SZVFJQULLIMBDN-SUMWQHHRSA-N 1 3 321.440 2.323 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCC1=CC[N@H+](CC2CC2)CC1 ZINC001160518625 798698965 /nfs/dbraw/zinc/69/89/65/798698965.db2.gz QKRAHTBYQSTISM-UHFFFAOYSA-N 1 3 307.482 2.265 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCC1=CC[N@@H+](CC2CC2)CC1 ZINC001160518625 798698971 /nfs/dbraw/zinc/69/89/71/798698971.db2.gz QKRAHTBYQSTISM-UHFFFAOYSA-N 1 3 307.482 2.265 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+]CC[C@@H]1CCCC1(F)F)N(C)C ZINC001160889454 798755850 /nfs/dbraw/zinc/75/58/50/798755850.db2.gz JVOJBCQFOBRLBA-UONOGXRCSA-N 1 3 319.440 2.248 20 0 DEADHO CC[C@H](C)CN1CCC([NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC001201508184 798763488 /nfs/dbraw/zinc/76/34/88/798763488.db2.gz CGDOEJIXTRMHOS-HNNXBMFYSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H](CC(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001161442716 798860031 /nfs/dbraw/zinc/86/00/31/798860031.db2.gz FRXVSNZLKZKRAV-SJLPKXTDSA-N 1 3 317.477 2.322 20 0 DEADHO CN1CCC(N(C(=O)C=C2CC[NH2+]CC2)C2CCCC2)CC1 ZINC001161453741 798862564 /nfs/dbraw/zinc/86/25/64/798862564.db2.gz LRBIKXMOERJJCK-UHFFFAOYSA-N 1 3 305.466 2.162 20 0 DEADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H](N)Cc1ccc(-c2ccccc2)cc1 ZINC001161530305 798876392 /nfs/dbraw/zinc/87/63/92/798876392.db2.gz VJTUORBSLUMEGQ-CCKFTAQKSA-N 1 3 323.440 2.172 20 0 DEADHO CCC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)[C@H](C3CC3)N(C)C)[C@@H]2C1 ZINC001114408905 799093165 /nfs/dbraw/zinc/09/31/65/799093165.db2.gz CMAFHPDISXLPCM-UYKJGYNXSA-N 1 3 319.493 2.119 20 0 DEADHO CCC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)[C@H](C3CC3)N(C)C)[C@@H]2C1 ZINC001114408905 799093172 /nfs/dbraw/zinc/09/31/72/799093172.db2.gz CMAFHPDISXLPCM-UYKJGYNXSA-N 1 3 319.493 2.119 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCCC3)C[C@H]21)N(C)C ZINC001114463039 799128982 /nfs/dbraw/zinc/12/89/82/799128982.db2.gz CXQCCRFTQZSTOD-XDNAFOTISA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCCC3)C[C@H]21)N(C)C ZINC001114463039 799128986 /nfs/dbraw/zinc/12/89/86/799128986.db2.gz CXQCCRFTQZSTOD-XDNAFOTISA-N 1 3 321.509 2.343 20 0 DEADHO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1cncc2cc[nH]c21 ZINC001162733293 799160961 /nfs/dbraw/zinc/16/09/61/799160961.db2.gz KVTXZODZLAZGEE-CQSZACIVSA-N 1 3 304.394 2.106 20 0 DEADHO CCN(CC)CCNC(=[NH2+])Nc1cccc(OCC(C)C)n1 ZINC001163129438 799253926 /nfs/dbraw/zinc/25/39/26/799253926.db2.gz XYOHGRMHLKPSRV-UHFFFAOYSA-N 1 3 307.442 2.394 20 0 DEADHO CC(C)N(CCC[NH3+])c1cccc2cc([C@H]3CNCCO3)cn21 ZINC001164126768 799517255 /nfs/dbraw/zinc/51/72/55/799517255.db2.gz JCCXNWVJLPTLHU-QGZVFWFLSA-N 1 3 316.449 2.164 20 0 DEADHO CC(=O)Nc1ccc(C)c(NCC2(N(C)C)CC[NH+](C)CC2)c1 ZINC001164211250 799539146 /nfs/dbraw/zinc/53/91/46/799539146.db2.gz MGZYXCYHOLQRGM-UHFFFAOYSA-N 1 3 318.465 2.391 20 0 DEADHO C[C@H](F)CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001095684524 799694655 /nfs/dbraw/zinc/69/46/55/799694655.db2.gz JINIMVVQAXKXQX-FZKCQIBNSA-N 1 3 323.456 2.084 20 0 DEADHO CN(C)C1(C(=O)NCCC2(C[NH2+]C/C=C/Cl)CC2)CCC1 ZINC001165465176 799734967 /nfs/dbraw/zinc/73/49/67/799734967.db2.gz VZCYSHRLSFJKPZ-ONNFQVAWSA-N 1 3 313.873 2.099 20 0 DEADHO CC1CC(C[NH2+]CC2(CCNC(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001165484473 799735953 /nfs/dbraw/zinc/73/59/53/799735953.db2.gz FECGLXPJTUAUEI-DQPZFDDXSA-N 1 3 321.509 2.249 20 0 DEADHO C[C@@H]([NH2+]CCCNC(=O)CN1CCC[C@H]1C)c1ccccc1F ZINC001166645451 799909257 /nfs/dbraw/zinc/90/92/57/799909257.db2.gz QFELIJXHNBXCRR-HUUCEWRRSA-N 1 3 321.440 2.467 20 0 DEADHO CCc1cccc(C[NH2+]CCCNC(=O)[C@H](CC)N(C)C)c1 ZINC001166858129 799967022 /nfs/dbraw/zinc/96/70/22/799967022.db2.gz NIZZLQCRXHKHSP-KRWDZBQOSA-N 1 3 305.466 2.185 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+]CC[C@H]1CCCC1(F)F)N(C)C ZINC001166865949 799967691 /nfs/dbraw/zinc/96/76/91/799967691.db2.gz JVOJBCQFOBRLBA-KGLIPLIRSA-N 1 3 319.440 2.248 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001166865989 799967715 /nfs/dbraw/zinc/96/77/15/799967715.db2.gz KNTXVIBESAHLIP-INIZCTEOSA-N 1 3 309.429 2.070 20 0 DEADHO CC(C)=CC[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001167035755 800012312 /nfs/dbraw/zinc/01/23/12/800012312.db2.gz PHJSYYSNVXBOGP-MRXNPFEDSA-N 1 3 309.498 2.415 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCC2CC2)C12CCC2 ZINC001203521456 800069103 /nfs/dbraw/zinc/06/91/03/800069103.db2.gz JGACODFQWRWYFP-HZPDHXFCSA-N 1 3 307.482 2.145 20 0 DEADHO COC(=O)c1ccc2[nH]cc(C[N@@H+]3[C@@H](C)CC[C@H]3CN)c2c1 ZINC001205075814 800293559 /nfs/dbraw/zinc/29/35/59/800293559.db2.gz OINKCMZHJBLTMZ-FZMZJTMJSA-N 1 3 301.390 2.266 20 0 DEADHO COC(=O)c1ccc2[nH]cc(C[N@H+]3[C@@H](C)CC[C@H]3CN)c2c1 ZINC001205075814 800293563 /nfs/dbraw/zinc/29/35/63/800293563.db2.gz OINKCMZHJBLTMZ-FZMZJTMJSA-N 1 3 301.390 2.266 20 0 DEADHO [NH3+]C[C@@]1(O)CCCN(Cc2ccccc2C(F)(F)F)CC1 ZINC001205208558 800316664 /nfs/dbraw/zinc/31/66/64/800316664.db2.gz DEBHSDXZFIWUSC-CQSZACIVSA-N 1 3 302.340 2.381 20 0 DEADHO [NH3+]C[C@]1(O)CCCN(Cc2ccc(O)cc2C(F)(F)F)CC1 ZINC001205228854 800323722 /nfs/dbraw/zinc/32/37/22/800323722.db2.gz IWYDWQYTFCIMGR-AWEZNQCLSA-N 1 3 318.339 2.087 20 0 DEADHO CC(C)Oc1cc(CN2CCC[C@](O)(C[NH3+])CC2)ccc1F ZINC001205247815 800330578 /nfs/dbraw/zinc/33/05/78/800330578.db2.gz JSEFFXYWDALTCT-QGZVFWFLSA-N 1 3 310.413 2.289 20 0 DEADHO C[C@@H]1CC[N@H+](Cc2ccc([O-])c3[nH]c(=O)ccc23)CC[C@@H]1C[NH3+] ZINC001205637499 800391741 /nfs/dbraw/zinc/39/17/41/800391741.db2.gz HOZIXAQCYBHBBL-CHWSQXEVSA-N 1 3 315.417 2.453 20 0 DEADHO C[C@@H]1CC[N@@H+](Cc2ccc([O-])c3[nH]c(=O)ccc23)CC[C@@H]1C[NH3+] ZINC001205637499 800391748 /nfs/dbraw/zinc/39/17/48/800391748.db2.gz HOZIXAQCYBHBBL-CHWSQXEVSA-N 1 3 315.417 2.453 20 0 DEADHO NC[C@@]1(O)CCCC[N@H+](Cc2ccccc2-c2cccnc2)C1 ZINC001205681916 800400978 /nfs/dbraw/zinc/40/09/78/800400978.db2.gz OLPHPGDRIWWZRJ-IBGZPJMESA-N 1 3 311.429 2.424 20 0 DEADHO NC[C@@]1(O)CCCC[N@@H+](Cc2ccccc2-c2cccnc2)C1 ZINC001205681916 800400980 /nfs/dbraw/zinc/40/09/80/800400980.db2.gz OLPHPGDRIWWZRJ-IBGZPJMESA-N 1 3 311.429 2.424 20 0 DEADHO CN(C)C[C@@H]1CN(C(=O)CC[NH2+]C(C)(C)C)c2ccccc2O1 ZINC000934736501 800440266 /nfs/dbraw/zinc/44/02/66/800440266.db2.gz YKTJPFFZLCGPCH-CQSZACIVSA-N 1 3 319.449 2.120 20 0 DEADHO [NH3+][C@H]1CCN(Cc2ccc(-c3ncccn3)cc2)CC[C@@H]1F ZINC001206173164 800483694 /nfs/dbraw/zinc/48/36/94/800483694.db2.gz FMVHLQCJHBSJRK-HOTGVXAUSA-N 1 3 300.381 2.405 20 0 DEADHO COC(=O)CC[N@H+](CCCN(C)C)CCOCc1ccccc1 ZINC001207235636 800715540 /nfs/dbraw/zinc/71/55/40/800715540.db2.gz MVDIQKXAFFGWRW-UHFFFAOYSA-N 1 3 322.449 2.020 20 0 DEADHO COC(=O)CC[N@@H+](CCCN(C)C)CCOCc1ccccc1 ZINC001207235636 800715542 /nfs/dbraw/zinc/71/55/42/800715542.db2.gz MVDIQKXAFFGWRW-UHFFFAOYSA-N 1 3 322.449 2.020 20 0 DEADHO CCOC(=O)C1CN(CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207290395 800724564 /nfs/dbraw/zinc/72/45/64/800724564.db2.gz BGSRBMMVDCFGTA-UHFFFAOYSA-N 1 3 316.445 2.394 20 0 DEADHO C[NH+](C)CCCN1CCN(CC2CCC(F)(F)CC2)CC1 ZINC001207348667 800733755 /nfs/dbraw/zinc/73/37/55/800733755.db2.gz XHXRDQGWUOEKNA-UHFFFAOYSA-N 1 3 303.441 2.381 20 0 DEADHO CC(C)N(C)Cc1cnc2n1CCN(CC1CC[NH2+]CC1)[C@@H]2C ZINC001207435384 800750832 /nfs/dbraw/zinc/75/08/32/800750832.db2.gz MZVJJKROOFUWSW-OAHLLOKOSA-N 1 3 319.497 2.100 20 0 DEADHO Brc1cnc2c(c1)CN(CC1CC[NH2+]CC1)CC2 ZINC001207437577 800751979 /nfs/dbraw/zinc/75/19/79/800751979.db2.gz KQBBQHAFJAAGDF-UHFFFAOYSA-N 1 3 310.239 2.202 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001111230950 800885284 /nfs/dbraw/zinc/88/52/84/800885284.db2.gz ZWFDPJWXCZKLRP-KURKYZTESA-N 1 3 315.461 2.250 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001111230950 800885289 /nfs/dbraw/zinc/88/52/89/800885289.db2.gz ZWFDPJWXCZKLRP-KURKYZTESA-N 1 3 315.461 2.250 20 0 DEADHO CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001208340410 800960065 /nfs/dbraw/zinc/96/00/65/800960065.db2.gz LKMNWZNDTZKBKX-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CN(C/C=C\c2ccccc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208491098 800995570 /nfs/dbraw/zinc/99/55/70/800995570.db2.gz YDLDWXQHKALHMK-MVKGYNNESA-N 1 3 315.461 2.088 20 0 DEADHO CC(C)Oc1ncccc1CC[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC001208800785 801071202 /nfs/dbraw/zinc/07/12/02/801071202.db2.gz XQBQRVGUNVJVSE-GOSISDBHSA-N 1 3 303.450 2.439 20 0 DEADHO CC(C)Oc1ncccc1CC[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC001208800785 801071206 /nfs/dbraw/zinc/07/12/06/801071206.db2.gz XQBQRVGUNVJVSE-GOSISDBHSA-N 1 3 303.450 2.439 20 0 DEADHO COC(=O)[C@@H]1CCCN(C2CC[NH+](C[C@@H]3CCC=CO3)CC2)C1 ZINC001208883994 801086978 /nfs/dbraw/zinc/08/69/78/801086978.db2.gz BDLSYPONVFPCOE-WBVHZDCISA-N 1 3 322.449 2.029 20 0 DEADHO OC1CC2(C1)C[NH+](C[C@@H]1CCCN(Cc3ccccc3)C1)C2 ZINC001208932867 801096630 /nfs/dbraw/zinc/09/66/30/801096630.db2.gz RPGRFQAKSBQYPA-QGZVFWFLSA-N 1 3 300.446 2.355 20 0 DEADHO CN1CC[N@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)CCC1=O ZINC001208931924 801097253 /nfs/dbraw/zinc/09/72/53/801097253.db2.gz DNHKXJWWUAYEMN-SFHVURJKSA-N 1 3 315.461 2.063 20 0 DEADHO CN1CC[N@@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)CCC1=O ZINC001208931924 801097259 /nfs/dbraw/zinc/09/72/59/801097259.db2.gz DNHKXJWWUAYEMN-SFHVURJKSA-N 1 3 315.461 2.063 20 0 DEADHO c1ccc(C[N@H+]2CC[C@@H](CN3CC[C@@H]4COC[C@@H]4C3)C2)cc1 ZINC001208940905 801098445 /nfs/dbraw/zinc/09/84/45/801098445.db2.gz HYGIOBNQPADZKE-QRVBRYPASA-N 1 3 300.446 2.477 20 0 DEADHO c1ccc(C[N@@H+]2CC[C@@H](CN3CC[C@@H]4COC[C@@H]4C3)C2)cc1 ZINC001208940905 801098449 /nfs/dbraw/zinc/09/84/49/801098449.db2.gz HYGIOBNQPADZKE-QRVBRYPASA-N 1 3 300.446 2.477 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NC1CC[NH+](CCCCCF)CC1 ZINC001229185237 801238514 /nfs/dbraw/zinc/23/85/14/801238514.db2.gz JNELSESMTRZDTO-OAHLLOKOSA-N 1 3 313.461 2.191 20 0 DEADHO C[C@H](F)CC[NH2+][C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001209690051 801255844 /nfs/dbraw/zinc/25/58/44/801255844.db2.gz NYALECCEWGBEBE-LSDHHAIUSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCCF)C1 ZINC001209951742 801311990 /nfs/dbraw/zinc/31/19/90/801311990.db2.gz MOCOQJIMFUPWQE-HZPDHXFCSA-N 1 3 313.461 2.190 20 0 DEADHO CCCN(C)CC(=O)NC1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001230112983 801362040 /nfs/dbraw/zinc/36/20/40/801362040.db2.gz KEYIMDHFEDAUBI-IXDOHACOSA-N 1 3 321.509 2.345 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CCF)CC1 ZINC001230617639 801438816 /nfs/dbraw/zinc/43/88/16/801438816.db2.gz DWUCKYDJINVYJZ-INIZCTEOSA-N 1 3 313.461 2.001 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CCF)CC1 ZINC001230617639 801438821 /nfs/dbraw/zinc/43/88/21/801438821.db2.gz DWUCKYDJINVYJZ-INIZCTEOSA-N 1 3 313.461 2.001 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001230630404 801441662 /nfs/dbraw/zinc/44/16/62/801441662.db2.gz SHYURUBBZSWUEA-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001230630404 801441667 /nfs/dbraw/zinc/44/16/67/801441667.db2.gz SHYURUBBZSWUEA-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@H+](CCCNC(=O)CN(C)C(C)C)Cc1cccnc1 ZINC001230932448 801531347 /nfs/dbraw/zinc/53/13/47/801531347.db2.gz VTHLYPWTBUZNAU-UHFFFAOYSA-N 1 3 320.481 2.140 20 0 DEADHO CCC[N@@H+](CCCNC(=O)CN(C)C(C)C)Cc1cccnc1 ZINC001230932448 801531355 /nfs/dbraw/zinc/53/13/55/801531355.db2.gz VTHLYPWTBUZNAU-UHFFFAOYSA-N 1 3 320.481 2.140 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001211284290 801541660 /nfs/dbraw/zinc/54/16/60/801541660.db2.gz KQOWMYRLSVTSPL-OAHLLOKOSA-N 1 3 309.479 2.169 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1C)N1CCCCC1 ZINC001211366672 801554141 /nfs/dbraw/zinc/55/41/41/801554141.db2.gz ISEFMLNIYPYEQG-NXHRZFHOSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1C)N1CCCCC1 ZINC001211366672 801554147 /nfs/dbraw/zinc/55/41/47/801554147.db2.gz ISEFMLNIYPYEQG-NXHRZFHOSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCC(C)(C)C)C1)N(C)C ZINC001330655888 1149236863 /nfs/dbraw/zinc/23/68/63/1149236863.db2.gz MIKVRLVWNFUIEF-BZUAXINKSA-N 1 3 311.514 2.493 20 0 DEADHO CCC(CC)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001214860933 801768160 /nfs/dbraw/zinc/76/81/60/801768160.db2.gz BNJKKCOZJQKEMH-RHSMWYFYSA-N 1 3 309.498 2.343 20 0 DEADHO CCN1C[C@H]2C[NH+](Cc3ccc(NC(C)=O)cc3C)C[C@@H]2C1 ZINC001232189744 801811464 /nfs/dbraw/zinc/81/14/64/801811464.db2.gz MEMSIYPUPCCTPI-IRXDYDNUSA-N 1 3 301.434 2.337 20 0 DEADHO C[C@H](C[NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1)CN(C)C ZINC000401907901 801858479 /nfs/dbraw/zinc/85/84/79/801858479.db2.gz IICNJFJUSAEWPN-WBVHZDCISA-N 1 3 319.449 2.185 20 0 DEADHO C[C@H](CN[C@H]1CCN(C(=O)OCc2ccccc2)C1)C[NH+](C)C ZINC000401907901 801858484 /nfs/dbraw/zinc/85/84/84/801858484.db2.gz IICNJFJUSAEWPN-WBVHZDCISA-N 1 3 319.449 2.185 20 0 DEADHO CCCCCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001215539892 801873079 /nfs/dbraw/zinc/87/30/79/801873079.db2.gz BOIDMZTXOLQIRV-BRWVUGGUSA-N 1 3 309.498 2.345 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]C/C=C/Cl)C1 ZINC001216844649 802032100 /nfs/dbraw/zinc/03/21/00/802032100.db2.gz HXULZKSHWIUJRI-HXFZWMNWSA-N 1 3 313.873 2.050 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]C/C=C\Cl)C1 ZINC001216844654 802032339 /nfs/dbraw/zinc/03/23/39/802032339.db2.gz HXULZKSHWIUJRI-UMYCQHFCSA-N 1 3 313.873 2.050 20 0 DEADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1OC[C@H]1COC(C)(C)N1 ZINC001217938648 802120815 /nfs/dbraw/zinc/12/08/15/802120815.db2.gz DUTSRRSAZOAFGM-XIRDDKMYSA-N 1 3 304.434 2.248 20 0 DEADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1OC[C@H]1COC(C)(C)N1 ZINC001217938648 802120821 /nfs/dbraw/zinc/12/08/21/802120821.db2.gz DUTSRRSAZOAFGM-XIRDDKMYSA-N 1 3 304.434 2.248 20 0 DEADHO c1ccc2c(c1)CNC[C@@H]2OC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001217941823 802120912 /nfs/dbraw/zinc/12/09/12/802120912.db2.gz TVKAYRKFTAGJCV-WBVHZDCISA-N 1 3 302.418 2.006 20 0 DEADHO CN(C)c1ccncc1NC(=O)[C@@H]1C[NH2+]C[C@H](c2ccccc2)C1 ZINC001218562881 802205634 /nfs/dbraw/zinc/20/56/34/802205634.db2.gz FNUQTERRAWOGHJ-CVEARBPZSA-N 1 3 324.428 2.479 20 0 DEADHO Nc1cn(C(=O)[C@@H]2CCCCN2)cc(-c2cccc(F)c2)c1=[NH2+] ZINC001218710832 802230291 /nfs/dbraw/zinc/23/02/91/802230291.db2.gz STQZPBCRBCDSQW-HNNXBMFYSA-N 1 3 314.364 2.138 20 0 DEADHO O=C(Nc1cc([C@@H]2CCCN2)no1)c1csc2c1CC[NH2+]C2 ZINC001218712506 802231359 /nfs/dbraw/zinc/23/13/59/802231359.db2.gz IJXISBLBCIWMOU-NSHDSACASA-N 1 3 318.402 2.059 20 0 DEADHO N[C@H](C(=O)Nc1cc(Cl)cc2[nH]ccc21)C1CC[NH2+]CC1 ZINC001218993089 802272102 /nfs/dbraw/zinc/27/21/02/802272102.db2.gz UYHFMOZGPUJMEL-AWEZNQCLSA-N 1 3 306.797 2.087 20 0 DEADHO CC/C=C/CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001234403833 802370461 /nfs/dbraw/zinc/37/04/61/802370461.db2.gz ZTSSMVQQCLTTQN-ADFJPCRASA-N 1 3 307.482 2.216 20 0 DEADHO CC/C=C/CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001234403833 802370469 /nfs/dbraw/zinc/37/04/69/802370469.db2.gz ZTSSMVQQCLTTQN-ADFJPCRASA-N 1 3 307.482 2.216 20 0 DEADHO C[C@@H](NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)c1cc(F)cc(F)c1 ZINC001220375078 802450446 /nfs/dbraw/zinc/45/04/46/802450446.db2.gz CSLSDHQJWGLZRH-IAQYHMDHSA-N 1 3 323.387 2.016 20 0 DEADHO C[C@@H](NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)c1cc(F)cc(F)c1 ZINC001220375078 802450452 /nfs/dbraw/zinc/45/04/52/802450452.db2.gz CSLSDHQJWGLZRH-IAQYHMDHSA-N 1 3 323.387 2.016 20 0 DEADHO c1ccc(-c2ccc(CN3CCNC4(CC[NH2+]CC4)C3)cn2)cc1 ZINC001222091311 802641476 /nfs/dbraw/zinc/64/14/76/802641476.db2.gz PYKBONKKOHBBCT-UHFFFAOYSA-N 1 3 322.456 2.276 20 0 DEADHO CC(C)=CC[NH+]1CCC(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001223457201 802791853 /nfs/dbraw/zinc/79/18/53/802791853.db2.gz HTSKZWOYEIUTMQ-UHFFFAOYSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)[C@H](C(=O)NCC1CC[NH+](CC2CCC2)CC1)N(C)C ZINC001224402481 802864456 /nfs/dbraw/zinc/86/44/56/802864456.db2.gz JMNMBPNNYVGTHM-QGZVFWFLSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@H](C(=O)NCC1CC[NH+](CC[C@H](C)F)CC1)N(C)C ZINC001224402787 802864987 /nfs/dbraw/zinc/86/49/87/802864987.db2.gz QGYLZVPRTKJBTF-GOEBONIOSA-N 1 3 315.477 2.149 20 0 DEADHO CCN(CC)CC(=O)NCC1CC[NH+](Cc2ccsc2)CC1 ZINC001224911954 802916738 /nfs/dbraw/zinc/91/67/38/802916738.db2.gz YQPHLOLBXHYJOC-UHFFFAOYSA-N 1 3 323.506 2.418 20 0 DEADHO Nc1cc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)ccn1 ZINC001226654537 803137180 /nfs/dbraw/zinc/13/71/80/803137180.db2.gz ZMCRHFKMKJUEEO-KRWDZBQOSA-N 1 3 313.401 2.334 20 0 DEADHO Nc1cc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccn1 ZINC001226654537 803137186 /nfs/dbraw/zinc/13/71/86/803137186.db2.gz ZMCRHFKMKJUEEO-KRWDZBQOSA-N 1 3 313.401 2.334 20 0 DEADHO CC[C@H](F)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001226792324 803161012 /nfs/dbraw/zinc/16/10/12/803161012.db2.gz PGCJYHZCBBCHGQ-RRFJBIMHSA-N 1 3 313.461 2.236 20 0 DEADHO CCc1cccc(CN2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001369839442 1149263275 /nfs/dbraw/zinc/26/32/75/1149263275.db2.gz BOQWQHOHCNVCDT-GOSISDBHSA-N 1 3 317.477 2.281 20 0 DEADHO C[C@@H](CCC[NH2+]CCF)NC(=O)C(C)(C)N1CCCCC1 ZINC001330813913 1149303767 /nfs/dbraw/zinc/30/37/67/1149303767.db2.gz STCFFXQMFHQWJO-AWEZNQCLSA-N 1 3 301.450 2.095 20 0 DEADHO C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CCN(C2CC2)C1 ZINC001328052318 1148707112 /nfs/dbraw/zinc/70/71/12/1148707112.db2.gz VHPIZQKYFLLKCX-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO Cc1cc(C)cc(CN2CC[C@@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001370017218 1149349727 /nfs/dbraw/zinc/34/97/27/1149349727.db2.gz NCLAAYAETZAINI-GOSISDBHSA-N 1 3 317.477 2.336 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001419413016 1168455584 /nfs/dbraw/zinc/45/55/84/1168455584.db2.gz MQBSJEOFIPNWPA-YVSFHVDLSA-N 1 3 309.498 2.247 20 0 DEADHO C[C@@H]([NH2+]Cc1cccnc1)[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001368861828 1148727096 /nfs/dbraw/zinc/72/70/96/1148727096.db2.gz BDRNNDTVEKZSQA-CABCVRRESA-N 1 3 320.481 2.042 20 0 DEADHO C[C@H](N[C@H]1CCN(C(=O)CC[NH+](C)C)C1)c1ccccc1F ZINC001370397078 1149644003 /nfs/dbraw/zinc/64/40/03/1149644003.db2.gz RZOYBJWEHLXASS-KBPBESRZSA-N 1 3 307.413 2.029 20 0 DEADHO CC[NH+](CC)CC(C)(C)COC(=O)C1CCCN(C2CC2)C1=O ZINC001346135694 1150943571 /nfs/dbraw/zinc/94/35/71/1150943571.db2.gz UTWNKBGWRRFPFA-OAHLLOKOSA-N 1 3 324.465 2.299 20 0 DEADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC001575125575 1069372341 /nfs/dbraw/zinc/37/23/41/1069372341.db2.gz NHHDBWDGVVGNBY-CQSZACIVSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)(C)OC(=O)NCC1(CN2C[C@H]3CC[NH2+]C[C@H]3C2)CCC1 ZINC001575219149 1069392514 /nfs/dbraw/zinc/39/25/14/1069392514.db2.gz SWQOZDNTXDXGIT-CABCVRRESA-N 1 3 323.481 2.223 20 0 DEADHO CN(CC(=O)N1CC[C@](C)(C[NH2+]CCC2CC2)C1)C1CCC1 ZINC001500354671 1058719258 /nfs/dbraw/zinc/71/92/58/1058719258.db2.gz WWNTZQUYMRUIDU-GOSISDBHSA-N 1 3 307.482 2.099 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2ccsc2)C1 ZINC001501548008 1059540079 /nfs/dbraw/zinc/54/00/79/1059540079.db2.gz ONRDPRQSVVTFBA-GDBMZVCRSA-N 1 3 321.490 2.171 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC3CCC3)C[C@@H]2C1 ZINC001369163563 1148859148 /nfs/dbraw/zinc/85/91/48/1148859148.db2.gz QRGKHFDOWNIZAE-FGTMMUONSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2C1 ZINC001369163563 1148859152 /nfs/dbraw/zinc/85/91/52/1148859152.db2.gz QRGKHFDOWNIZAE-FGTMMUONSA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C1C[NH+](Cc2cccc(C)c2)C1)N(C)C ZINC001369169958 1148860308 /nfs/dbraw/zinc/86/03/08/1148860308.db2.gz VDTDXQWQXAQRGQ-MAUKXSAKSA-N 1 3 317.477 2.272 20 0 DEADHO Cc1cc(CN(C)C[C@@H]2CCCN2C(=O)CC[NH+](C)C)cs1 ZINC001505444719 1060608372 /nfs/dbraw/zinc/60/83/72/1060608372.db2.gz GOFWRZCILYQICE-INIZCTEOSA-N 1 3 323.506 2.431 20 0 DEADHO CCN1CCN(CCC[NH2+]C/C=C\c2ccccc2OC)CC1 ZINC001473929734 1060771477 /nfs/dbraw/zinc/77/14/77/1060771477.db2.gz HNFITUFLOYEFRZ-TWGQIWQCSA-N 1 3 317.477 2.326 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(F)cc1C ZINC001505735481 1060914660 /nfs/dbraw/zinc/91/46/60/1060914660.db2.gz MMAXCEPBKRAVLZ-CABCVRRESA-N 1 3 323.456 2.459 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[N@H+](C)CC1=CCCCC1 ZINC001506002216 1061248207 /nfs/dbraw/zinc/24/82/07/1061248207.db2.gz QNPRAZOGXMXCHU-JKSUJKDBSA-N 1 3 307.482 2.265 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[N@@H+](C)CC1=CCCCC1 ZINC001506002216 1061248231 /nfs/dbraw/zinc/24/82/31/1061248231.db2.gz QNPRAZOGXMXCHU-JKSUJKDBSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CCN(CCCF)[C@@H]1C)[NH+]1CCCC1 ZINC001479730043 1061652562 /nfs/dbraw/zinc/65/25/62/1061652562.db2.gz SEDWYKMAXKQIJI-OWCLPIDISA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCCF)[C@@H]1C)N1CCCC1 ZINC001479730043 1061652565 /nfs/dbraw/zinc/65/25/65/1061652565.db2.gz SEDWYKMAXKQIJI-OWCLPIDISA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CCCF)[C@@H]1C)N1CCCC1 ZINC001479730043 1061652570 /nfs/dbraw/zinc/65/25/70/1061652570.db2.gz SEDWYKMAXKQIJI-OWCLPIDISA-N 1 3 313.461 2.045 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H](C)C1CN(Cc2ccccc2C)C1 ZINC001506666731 1062256271 /nfs/dbraw/zinc/25/62/71/1062256271.db2.gz OMIJHXZARCNSAA-MRXNPFEDSA-N 1 3 317.477 2.273 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H](C)C1CN(Cc2ccccc2C)C1 ZINC001506666731 1062256290 /nfs/dbraw/zinc/25/62/90/1062256290.db2.gz OMIJHXZARCNSAA-MRXNPFEDSA-N 1 3 317.477 2.273 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2)C1)N(C)C ZINC001480224838 1062485148 /nfs/dbraw/zinc/48/51/48/1062485148.db2.gz VBUOYXQWSOFFNP-XHSDSOJGSA-N 1 3 323.868 2.417 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001480472223 1062906551 /nfs/dbraw/zinc/90/65/51/1062906551.db2.gz NSBSSQXVFZKKKM-GDBMZVCRSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001480834235 1063427689 /nfs/dbraw/zinc/42/76/89/1063427689.db2.gz LPRPBCKZCUQIOA-OAHLLOKOSA-N 1 3 304.438 2.031 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[C@@H]1CCC[N@H+]1CC1CC1 ZINC001480834235 1063427703 /nfs/dbraw/zinc/42/77/03/1063427703.db2.gz LPRPBCKZCUQIOA-OAHLLOKOSA-N 1 3 304.438 2.031 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)CC[NH2+]CCCCC(F)(F)F)C1 ZINC001493694634 1063921889 /nfs/dbraw/zinc/92/18/89/1063921889.db2.gz GZEAPQNBFARBAB-CYBMUJFWSA-N 1 3 323.403 2.109 20 0 DEADHO CN(CCNCc1cccc(F)c1)C(=O)CC1CC[NH+](C)CC1 ZINC001493720032 1063933523 /nfs/dbraw/zinc/93/35/23/1063933523.db2.gz IBQWQEGBXQAHMO-UHFFFAOYSA-N 1 3 321.440 2.106 20 0 DEADHO CC1CCN(CC(=O)N(C)CC[NH2+]CCc2ccccc2)CC1 ZINC001493742877 1063943673 /nfs/dbraw/zinc/94/36/73/1063943673.db2.gz VKLFTQGFFFYCSH-UHFFFAOYSA-N 1 3 317.477 2.009 20 0 DEADHO CC(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001480079892 1151560345 /nfs/dbraw/zinc/56/03/45/1151560345.db2.gz VDSQBSHWIZWIQF-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CCCCCF)C1)N(C)C ZINC001567925320 1064528099 /nfs/dbraw/zinc/52/80/99/1064528099.db2.gz LRHCNSXRLMUTRS-HOTGVXAUSA-N 1 3 315.477 2.245 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](CCCCCF)C1)N(C)C ZINC001567925320 1064528117 /nfs/dbraw/zinc/52/81/17/1064528117.db2.gz LRHCNSXRLMUTRS-HOTGVXAUSA-N 1 3 315.477 2.245 20 0 DEADHO CC(C)C[NH2+]CCC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001568094085 1064642918 /nfs/dbraw/zinc/64/29/18/1064642918.db2.gz PZZDOQGSBAXKNL-INIZCTEOSA-N 1 3 309.498 2.203 20 0 DEADHO C[NH+](C)CCC(=O)NC1(CNCC=C(Cl)Cl)CCCC1 ZINC001495188655 1064751722 /nfs/dbraw/zinc/75/17/22/1064751722.db2.gz ZYHSBLUDVHTKAX-UHFFFAOYSA-N 1 3 322.280 2.276 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1(C[NH2+]CCCF)CCCC1 ZINC001495211989 1064766699 /nfs/dbraw/zinc/76/66/99/1064766699.db2.gz PXGQMGHMHSPTPB-HUUCEWRRSA-N 1 3 313.461 2.237 20 0 DEADHO C[C@@H](CC[NH2+]CC1CC(C)(C)C1)NC(=O)CN1CC[C@H](C)C1 ZINC001568678761 1065043294 /nfs/dbraw/zinc/04/32/94/1065043294.db2.gz XWGNUIXVJZUQFH-GJZGRUSLSA-N 1 3 309.498 2.249 20 0 DEADHO COCCN(C)CCC[NH2+]Cc1cc(Cl)ccc1OC ZINC001620718780 1078168000 /nfs/dbraw/zinc/16/80/00/1078168000.db2.gz QIBAAHHRJXFBCL-UHFFFAOYSA-N 1 3 300.830 2.407 20 0 DEADHO C[NH+](C)Cc1ccc(C(=O)NC/C=C/CNC/C=C/Cl)cc1 ZINC001568937813 1065199310 /nfs/dbraw/zinc/19/93/10/1065199310.db2.gz ZGHIXOLBHWPMCW-COBAKMAKSA-N 1 3 321.852 2.376 20 0 DEADHO CCCN(C)CC(=O)N1CCC2(C[NH+](CC[C@H](C)F)C2)CC1 ZINC001495984810 1065205106 /nfs/dbraw/zinc/20/51/06/1065205106.db2.gz COJNCRBJDLDCBN-HNNXBMFYSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@@H](C[NH2+]CC1CC(C)C1)N(C)C(=O)CN(C)CC(C)(C)C ZINC001496154703 1065310563 /nfs/dbraw/zinc/31/05/63/1065310563.db2.gz QAWIBGMWCPMINA-PCKAHOCUSA-N 1 3 311.514 2.447 20 0 DEADHO Cc1cccc(C)c1C[N@@H+](C)CCN(C)C(=O)CN1CCCC1 ZINC001496835047 1065742578 /nfs/dbraw/zinc/74/25/78/1065742578.db2.gz DPHBECXSQPRXFG-UHFFFAOYSA-N 1 3 317.477 2.289 20 0 DEADHO Cc1cccc(C)c1C[N@H+](C)CCN(C)C(=O)CN1CCCC1 ZINC001496835047 1065742596 /nfs/dbraw/zinc/74/25/96/1065742596.db2.gz DPHBECXSQPRXFG-UHFFFAOYSA-N 1 3 317.477 2.289 20 0 DEADHO CC(C)CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001569823827 1065745372 /nfs/dbraw/zinc/74/53/72/1065745372.db2.gz KDLFAGWHTKAOBN-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](CC[NH2+]Cc1ccc(F)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001497204338 1065960478 /nfs/dbraw/zinc/96/04/78/1065960478.db2.gz BSIOGPLYDRCGAB-CQSZACIVSA-N 1 3 321.440 2.294 20 0 DEADHO CC[C@H](C(=O)NC/C=C/C[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001497610034 1066188859 /nfs/dbraw/zinc/18/88/59/1066188859.db2.gz HTQVPSMDNSLLGP-DKRLNXSXSA-N 1 3 321.440 2.236 20 0 DEADHO CC(C)(C)OC(=O)N1CC[C@@H]2CN(CC(C)(C)C[NH3+])CC[C@@H]21 ZINC001575315051 1066261992 /nfs/dbraw/zinc/26/19/92/1066261992.db2.gz FZQBQJLXGZABGR-KGLIPLIRSA-N 1 3 311.470 2.303 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1 ZINC001368604210 1148520004 /nfs/dbraw/zinc/52/00/04/1148520004.db2.gz GAKKTHGCDNPKNV-SHTZXODSSA-N 1 3 309.479 2.074 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1)N(C)C ZINC001497836517 1066356245 /nfs/dbraw/zinc/35/62/45/1066356245.db2.gz ZSKUEMIRBRCBSP-DVOMOZLQSA-N 1 3 309.429 2.321 20 0 DEADHO C[N@@H+]1CCC[C@@H](CNC[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000044536320 1078340213 /nfs/dbraw/zinc/34/02/13/1078340213.db2.gz JCXNPFYZHMUVTF-ZFWWWQNUSA-N 1 3 312.841 2.011 20 0 DEADHO C[N@H+]1CCC[C@@H](CNC[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000044536320 1078340216 /nfs/dbraw/zinc/34/02/16/1078340216.db2.gz JCXNPFYZHMUVTF-ZFWWWQNUSA-N 1 3 312.841 2.011 20 0 DEADHO CC(C)N1CCCN(C(=O)[C@@H]2[NH2+]CC[C@@H]3CCCC[C@@H]23)CC1 ZINC001575701274 1066406383 /nfs/dbraw/zinc/40/63/83/1066406383.db2.gz XZJXQSAJTGOTIC-GVDBMIGSSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](CNCc1ccccc1Cl)NC(=O)C12CC[NH+](CC1)C2 ZINC001497963472 1066435758 /nfs/dbraw/zinc/43/57/58/1066435758.db2.gz WEVZGLVCCTZIFM-CYBMUJFWSA-N 1 3 321.852 2.030 20 0 DEADHO C[C@H](CCC[NH3+])NCc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC001575952251 1066464295 /nfs/dbraw/zinc/46/42/95/1066464295.db2.gz PHGBYJAKYVCWKA-LLVKDONJSA-N 1 3 309.414 2.041 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]C/C=C\c1ccccc1)N(C)C ZINC001498054502 1066481130 /nfs/dbraw/zinc/48/11/30/1066481130.db2.gz RWYSXYLAEGUQKG-QTVCDNSKSA-N 1 3 317.477 2.380 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCCN(CCC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001576117429 1066497571 /nfs/dbraw/zinc/49/75/71/1066497571.db2.gz OKTRZLWXDNUTDD-DZGCQCFKSA-N 1 3 311.470 2.303 20 0 DEADHO C[C@@H](C[NH2+]CCCC1CCCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001498119077 1066514397 /nfs/dbraw/zinc/51/43/97/1066514397.db2.gz ZAIPAQXSAJYQRF-HOTGVXAUSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC001576311515 1066557758 /nfs/dbraw/zinc/55/77/58/1066557758.db2.gz QZUQQHFICWVQIL-AHCXZYCDSA-N 1 3 315.461 2.184 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CC2(CN)CCC2)CCN1C(=O)OC(C)(C)C ZINC001576623369 1066647822 /nfs/dbraw/zinc/64/78/22/1066647822.db2.gz KDGSRFUCEFMZGA-UONOGXRCSA-N 1 3 311.470 2.493 20 0 DEADHO C[C@H]1CN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1C1CCCC1 ZINC001576768284 1066684290 /nfs/dbraw/zinc/68/42/90/1066684290.db2.gz GMYUVLFQKCOZKJ-XYTVBORESA-N 1 3 319.493 2.382 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)[C@H]1CC[C@H]([NH3+])CC1)c1ccco1 ZINC001577002917 1066743975 /nfs/dbraw/zinc/74/39/75/1066743975.db2.gz IUHXTFCYGDXQLV-AJNGGQMLSA-N 1 3 307.438 2.343 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC001577172043 1066779377 /nfs/dbraw/zinc/77/93/77/1066779377.db2.gz IGZOGFQFYTWANU-DLBZAZTESA-N 1 3 321.465 2.191 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC001577172045 1066779448 /nfs/dbraw/zinc/77/94/48/1066779448.db2.gz IGZOGFQFYTWANU-IRXDYDNUSA-N 1 3 321.465 2.191 20 0 DEADHO CC[C@H]1CN(C(=O)c2ccc(NC3=NCCC3)cc2)CC[C@H]1[NH3+] ZINC001577279727 1066806551 /nfs/dbraw/zinc/80/65/51/1066806551.db2.gz OWNGPTRUUKWLSS-XJKSGUPXSA-N 1 3 314.433 2.490 20 0 DEADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC001577307192 1066812869 /nfs/dbraw/zinc/81/28/69/1066812869.db2.gz AABUXZJTIHGWPR-HYVNUMGLSA-N 1 3 303.450 2.011 20 0 DEADHO CCCCCCN(C)CC(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC001634105494 1078419465 /nfs/dbraw/zinc/41/94/65/1078419465.db2.gz IYTSLJSTFNNQHC-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(CN)n(C)c1C ZINC001577457982 1066847207 /nfs/dbraw/zinc/84/72/07/1066847207.db2.gz MTGCNTHFPGZKBW-HNNXBMFYSA-N 1 3 320.481 2.177 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(CN)n(C)c1C ZINC001577457982 1066847213 /nfs/dbraw/zinc/84/72/13/1066847213.db2.gz MTGCNTHFPGZKBW-HNNXBMFYSA-N 1 3 320.481 2.177 20 0 DEADHO CC[NH+](CC)CC[C@H](C)NC(=O)C[C@@H]1NCc2ccccc21 ZINC001577687481 1066904628 /nfs/dbraw/zinc/90/46/28/1066904628.db2.gz ICFCUESZJRAJMO-YOEHRIQHSA-N 1 3 303.450 2.458 20 0 DEADHO CC[C@@H]1CN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)C[C@H](C)N1 ZINC001578227206 1067024771 /nfs/dbraw/zinc/02/47/71/1067024771.db2.gz ZNVDRSIOVYOTFZ-IAOVAPTHSA-N 1 3 315.461 2.278 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN1Cc1c(C)cccc1C ZINC001499092392 1067086052 /nfs/dbraw/zinc/08/60/52/1067086052.db2.gz FNZPTCCRZCRSJU-QGZVFWFLSA-N 1 3 317.477 2.336 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN1Cc1c(C)cccc1C ZINC001499092392 1067086069 /nfs/dbraw/zinc/08/60/69/1067086069.db2.gz FNZPTCCRZCRSJU-QGZVFWFLSA-N 1 3 317.477 2.336 20 0 DEADHO CN(CCCN(C)C(=O)C1([NH3+])CC2(CCC2)C1)Cc1ccco1 ZINC001578466742 1067111644 /nfs/dbraw/zinc/11/16/44/1067111644.db2.gz UJJZGYAFRHJFAW-UHFFFAOYSA-N 1 3 319.449 2.222 20 0 DEADHO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cccc2c1CNC2 ZINC001578529480 1067126824 /nfs/dbraw/zinc/12/68/24/1067126824.db2.gz VRQKPAATGDTSSF-MRXNPFEDSA-N 1 3 301.434 2.140 20 0 DEADHO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cccc2c1CNC2 ZINC001578529480 1067126832 /nfs/dbraw/zinc/12/68/32/1067126832.db2.gz VRQKPAATGDTSSF-MRXNPFEDSA-N 1 3 301.434 2.140 20 0 DEADHO C[C@@H](CN(C)[C@@H]1CCc2ccc(F)cc21)NC(=O)CC[NH+](C)C ZINC001483380755 1078495303 /nfs/dbraw/zinc/49/53/03/1078495303.db2.gz NADNNNQEDMKLPA-SUMWQHHRSA-N 1 3 321.440 2.201 20 0 DEADHO COc1ccc(CN(C[C@@H]2C[NH2+]C[C@H]2C)[C@H](CO)C(C)C)cc1 ZINC001579212784 1067260369 /nfs/dbraw/zinc/26/03/69/1067260369.db2.gz MCXJPUXYUOJTBO-HHXXYDBFSA-N 1 3 320.477 2.370 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@H+](CC3CCCC3)C2)C1 ZINC001499615535 1067279172 /nfs/dbraw/zinc/27/91/72/1067279172.db2.gz FCJKMICKQBJTLR-LJQANCHMSA-N 1 3 321.509 2.443 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@@H+](CC3CCCC3)C2)C1 ZINC001499615535 1067279176 /nfs/dbraw/zinc/27/91/76/1067279176.db2.gz FCJKMICKQBJTLR-LJQANCHMSA-N 1 3 321.509 2.443 20 0 DEADHO CSc1ccc([C@H](CNC(=O)[C@@H]([NH3+])C2CCC2)N(C)C)cc1 ZINC001579387799 1067322913 /nfs/dbraw/zinc/32/29/13/1067322913.db2.gz NFPXCYJQWVRKBJ-HOTGVXAUSA-N 1 3 321.490 2.255 20 0 DEADHO CSc1ccc([C@@H](CNC(=O)C[C@H]([NH3+])C2CC2)N(C)C)cc1 ZINC001579387973 1067323450 /nfs/dbraw/zinc/32/34/50/1067323450.db2.gz QBPORBKBXXFMAY-JKSUJKDBSA-N 1 3 321.490 2.255 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H]1CNCCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC001579459699 1067347187 /nfs/dbraw/zinc/34/71/87/1067347187.db2.gz QWMAMIBULPSTRM-ZIAGYGMSSA-N 1 3 313.486 2.467 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCCC(C)C)C1 ZINC001267026969 1078512345 /nfs/dbraw/zinc/51/23/45/1078512345.db2.gz ZZNRUPSTTUMIAQ-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO [NH3+][C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)C1CCCCC1 ZINC001580111457 1067496898 /nfs/dbraw/zinc/49/68/98/1067496898.db2.gz GPIXHQPBUXWUIJ-ROUUACIJSA-N 1 3 315.461 2.285 20 0 DEADHO Cc1cc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCCCN2C)cs1 ZINC001483474026 1078555733 /nfs/dbraw/zinc/55/57/33/1078555733.db2.gz FXTZPPORPLKUBO-INIZCTEOSA-N 1 3 323.506 2.479 20 0 DEADHO CC[N@H+](CCCNC(=O)CN1CC[C@H](C)C1)C1CCCCC1 ZINC001639884607 1078631402 /nfs/dbraw/zinc/63/14/02/1078631402.db2.gz UBRCRKSKZOOALF-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CC[N@@H+](CCCNC(=O)CN1CC[C@H](C)C1)C1CCCCC1 ZINC001639884607 1078631404 /nfs/dbraw/zinc/63/14/04/1078631404.db2.gz UBRCRKSKZOOALF-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)=CC[NH2+]CC1CC(NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001570561583 1068006654 /nfs/dbraw/zinc/00/66/54/1068006654.db2.gz YOJPJBXQFPSCSE-OFLPRAFFSA-N 1 3 307.482 2.310 20 0 DEADHO CC(C)CCC[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001571157082 1068187679 /nfs/dbraw/zinc/18/76/79/1068187679.db2.gz HHMCYHSUECSKQC-ULQDDVLXSA-N 1 3 309.498 2.249 20 0 DEADHO CC/C=C/CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001571329321 1068223923 /nfs/dbraw/zinc/22/39/23/1068223923.db2.gz XYZVPMDHTIAAJF-RTRPANQVSA-N 1 3 307.482 2.360 20 0 DEADHO CC/C=C/CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001571329321 1068223928 /nfs/dbraw/zinc/22/39/28/1068223928.db2.gz XYZVPMDHTIAAJF-RTRPANQVSA-N 1 3 307.482 2.360 20 0 DEADHO CC(C)(C)[C@@H](N)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001573458647 1069004777 /nfs/dbraw/zinc/00/47/77/1069004777.db2.gz YUYFIHSHNODJOA-INIZCTEOSA-N 1 3 303.450 2.272 20 0 DEADHO CC[C@@H]1CN(C(=O)NCC(C)(C)C[NH+]2CCCC2)[C@H](CC)CN1 ZINC001573718585 1069079337 /nfs/dbraw/zinc/07/93/37/1069079337.db2.gz LKQXICCWIJRCFZ-HZPDHXFCSA-N 1 3 324.513 2.280 20 0 DEADHO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H](N)C(C)(C)C)C1 ZINC001573876854 1069125635 /nfs/dbraw/zinc/12/56/35/1069125635.db2.gz VPOHUQNMYIKRJQ-CVEARBPZSA-N 1 3 303.450 2.093 20 0 DEADHO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H](N)C(C)(C)C)C1 ZINC001573876854 1069125639 /nfs/dbraw/zinc/12/56/39/1069125639.db2.gz VPOHUQNMYIKRJQ-CVEARBPZSA-N 1 3 303.450 2.093 20 0 DEADHO CC(C)[C@H](C(=O)N1CC2(C1)CC[N@@H+](C1CCCC1)C2)N(C)C ZINC001272608689 1079003331 /nfs/dbraw/zinc/00/33/31/1079003331.db2.gz UUOZFUFLLLYIIU-MRXNPFEDSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[C@H](C(=O)N1CC2(C1)CC[N@H+](C1CCCC1)C2)N(C)C ZINC001272608689 1079003334 /nfs/dbraw/zinc/00/33/34/1079003334.db2.gz UUOZFUFLLLYIIU-MRXNPFEDSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)N(C)C ZINC001549075401 1073005956 /nfs/dbraw/zinc/00/59/56/1073005956.db2.gz VMUHAYOLUZNOHO-RCCFBDPRSA-N 1 3 317.477 2.034 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)N(C)C ZINC001549075401 1073005963 /nfs/dbraw/zinc/00/59/63/1073005963.db2.gz VMUHAYOLUZNOHO-RCCFBDPRSA-N 1 3 317.477 2.034 20 0 DEADHO [NH3+]C[C@@]12CCC[C@H]1CN(Cc1ccc(C(=O)NC3CC3)cc1)C2 ZINC001549087492 1073011525 /nfs/dbraw/zinc/01/15/25/1073011525.db2.gz NCSAAJUQEGPCOJ-QFBILLFUSA-N 1 3 313.445 2.140 20 0 DEADHO COc1cccc(NC(=O)CC[N@@H+]2C[C@H]3CCC[C@@]3(CN)C2)c1 ZINC001549117507 1073030714 /nfs/dbraw/zinc/03/07/14/1073030714.db2.gz SMFFOTGGNLOCNT-RDTXWAMCSA-N 1 3 317.433 2.085 20 0 DEADHO COc1cccc(NC(=O)CC[N@H+]2C[C@H]3CCC[C@@]3(CN)C2)c1 ZINC001549117507 1073030722 /nfs/dbraw/zinc/03/07/22/1073030722.db2.gz SMFFOTGGNLOCNT-RDTXWAMCSA-N 1 3 317.433 2.085 20 0 DEADHO CCn1cc([C@@H]2OCCC[C@@H]2C[NH2+][C@H]2CCN[C@H](C)C2)cn1 ZINC001549338488 1073130779 /nfs/dbraw/zinc/13/07/79/1073130779.db2.gz RDFBMCACNKFGKL-TXCZRRACSA-N 1 3 306.454 2.101 20 0 DEADHO CN(C)[C@H](CNC(=O)[C@@H]([NH3+])C1CCCCC1)c1ccccc1 ZINC001645892256 1079040442 /nfs/dbraw/zinc/04/04/42/1079040442.db2.gz BGTIFCHVTOAIFB-SJORKVTESA-N 1 3 303.450 2.313 20 0 DEADHO CCN1CCCN(C(=O)Nc2ccc([C@@H]3C[C@@H]3[NH3+])cc2)CC1 ZINC001549785909 1073267091 /nfs/dbraw/zinc/26/70/91/1073267091.db2.gz BYJOONCCMPRMEP-HOTGVXAUSA-N 1 3 302.422 2.061 20 0 DEADHO CN(C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1)[C@H]1CCN(C)C1 ZINC001550049050 1073395259 /nfs/dbraw/zinc/39/52/59/1073395259.db2.gz POTXMYLAKRPCDZ-SJORKVTESA-N 1 3 322.497 2.129 20 0 DEADHO CN(C(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1)[C@H]1CCN(C)C1 ZINC001550049050 1073395275 /nfs/dbraw/zinc/39/52/75/1073395275.db2.gz POTXMYLAKRPCDZ-SJORKVTESA-N 1 3 322.497 2.129 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001550278913 1073556498 /nfs/dbraw/zinc/55/64/98/1073556498.db2.gz YLKPFFVUWZPFOM-MQVJKMGUSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H]1C[NH2+]C[C@H]1CN1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC001550349215 1073607781 /nfs/dbraw/zinc/60/77/81/1073607781.db2.gz KJTOIZTVVBCVEC-BBRMVZONSA-N 1 3 318.465 2.447 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3ccns3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550422763 1073646762 /nfs/dbraw/zinc/64/67/62/1073646762.db2.gz CSGVPKKNCQVBRV-QXSJWSMHSA-N 1 3 309.479 2.103 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3ccns3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550422763 1073646766 /nfs/dbraw/zinc/64/67/66/1073646766.db2.gz CSGVPKKNCQVBRV-QXSJWSMHSA-N 1 3 309.479 2.103 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3cncs3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550422775 1073648548 /nfs/dbraw/zinc/64/85/48/1073648548.db2.gz CYKULGMDCKEURA-UGUYLWEFSA-N 1 3 309.479 2.103 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3cncs3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550422775 1073648556 /nfs/dbraw/zinc/64/85/56/1073648556.db2.gz CYKULGMDCKEURA-UGUYLWEFSA-N 1 3 309.479 2.103 20 0 DEADHO CC(C)CCN1CCC([NH2+][C@@H]2CCO[C@H]2c2ccnn2C)CC1 ZINC001550634345 1073761039 /nfs/dbraw/zinc/76/10/39/1073761039.db2.gz UBOFLMNREQHJPQ-SJLPKXTDSA-N 1 3 320.481 2.350 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3ccccn3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550668322 1073786498 /nfs/dbraw/zinc/78/64/98/1073786498.db2.gz VRFAPKRTTXYWTI-XDNAFOTISA-N 1 3 303.450 2.041 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3ccccn3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550668322 1073786507 /nfs/dbraw/zinc/78/65/07/1073786507.db2.gz VRFAPKRTTXYWTI-XDNAFOTISA-N 1 3 303.450 2.041 20 0 DEADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3conc3C3CC3)CC2)C1 ZINC001550703977 1073814192 /nfs/dbraw/zinc/81/41/92/1073814192.db2.gz VRBRMUKSHYAOHW-HOTGVXAUSA-N 1 3 305.422 2.270 20 0 DEADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3conc3C3CC3)C2)C1 ZINC001550704395 1073814670 /nfs/dbraw/zinc/81/46/70/1073814670.db2.gz YUMBQQSWWHYJJR-IMJJTQAJSA-N 1 3 305.422 2.270 20 0 DEADHO CC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001481119054 1079208574 /nfs/dbraw/zinc/20/85/74/1079208574.db2.gz QCXGBTAWCAWRKT-PWHGLLLSSA-N 1 3 309.498 2.367 20 0 DEADHO CC/C=C/CC[N@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001481119054 1079208580 /nfs/dbraw/zinc/20/85/80/1079208580.db2.gz QCXGBTAWCAWRKT-PWHGLLLSSA-N 1 3 309.498 2.367 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001551875660 1074403363 /nfs/dbraw/zinc/40/33/63/1074403363.db2.gz MAUHDFINIMXOPP-AMBYYYRHSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001551875660 1074403370 /nfs/dbraw/zinc/40/33/70/1074403370.db2.gz MAUHDFINIMXOPP-AMBYYYRHSA-N 1 3 319.493 2.194 20 0 DEADHO CO[C@@H]1C[C@H](CO)N(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001552061378 1074453208 /nfs/dbraw/zinc/45/32/08/1074453208.db2.gz RMUXDYBNXJGOTD-RTBURBONSA-N 1 3 318.461 2.254 20 0 DEADHO C[C@@H]1C[C@H](C(=O)N[C@H](CN2CCCC2)c2ccccc2)CC[NH2+]1 ZINC001646736265 1074586449 /nfs/dbraw/zinc/58/64/49/1074586449.db2.gz HRRVLLIYVZWVIM-KBAYOESNSA-N 1 3 315.461 2.328 20 0 DEADHO CN(CCN1CCCCC1)C(=O)[C@@H]1CCCCC12CC[NH2+]CC2 ZINC001646764432 1074607168 /nfs/dbraw/zinc/60/71/68/1074607168.db2.gz BLUAVNFFVYGIDS-KRWDZBQOSA-N 1 3 321.509 2.491 20 0 DEADHO CC(C)(C[NH3+])C1CCN(C(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC001646811647 1074630234 /nfs/dbraw/zinc/63/02/34/1074630234.db2.gz QESONAHZNDIPOJ-QGZVFWFLSA-N 1 3 315.461 2.097 20 0 DEADHO CCn1ccnc1[C@H]1OCC[C@@H]1C[NH+]1CCC(N(C)C)CC1 ZINC001552824852 1074668409 /nfs/dbraw/zinc/66/84/09/1074668409.db2.gz PTRXGSIDSINMGL-ZBFHGGJFSA-N 1 3 306.454 2.007 20 0 DEADHO CN(C(=O)C[C@H]1NCc2ccccc21)C1(C[NH3+])CCCCC1 ZINC001552920542 1074695301 /nfs/dbraw/zinc/69/53/01/1074695301.db2.gz MHFMHMCXWDAYNW-MRXNPFEDSA-N 1 3 301.434 2.341 20 0 DEADHO c1cc(C[NH2+]Cc2cnn3ccccc23)n(-c2ccncc2)n1 ZINC001560469760 1075140421 /nfs/dbraw/zinc/14/04/21/1075140421.db2.gz KJUXBUQGGDPMHN-UHFFFAOYSA-N 1 3 304.357 2.205 20 0 DEADHO c1cc(CNCc2cnn3ccccc23)n(-c2cc[nH+]cc2)n1 ZINC001560469760 1075140423 /nfs/dbraw/zinc/14/04/23/1075140423.db2.gz KJUXBUQGGDPMHN-UHFFFAOYSA-N 1 3 304.357 2.205 20 0 DEADHO CN(CCCNC(=O)CC1CC[NH+](C)CC1)Cc1ccsc1 ZINC001566497971 1075262137 /nfs/dbraw/zinc/26/21/37/1075262137.db2.gz OIZZAMZRKVTUGO-UHFFFAOYSA-N 1 3 323.506 2.418 20 0 DEADHO CC/C=C\CC[N@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001267708910 1079396729 /nfs/dbraw/zinc/39/67/29/1079396729.db2.gz RKKHOIWFXKAMSZ-VGOKWCNXSA-N 1 3 307.482 2.219 20 0 DEADHO CC/C=C\CC[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001267708910 1079396735 /nfs/dbraw/zinc/39/67/35/1079396735.db2.gz RKKHOIWFXKAMSZ-VGOKWCNXSA-N 1 3 307.482 2.219 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CNCCF ZINC001566942236 1075394345 /nfs/dbraw/zinc/39/43/45/1075394345.db2.gz HVXVADYHWCTVJQ-JKSUJKDBSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CNCCF ZINC001566942236 1075394346 /nfs/dbraw/zinc/39/43/46/1075394346.db2.gz HVXVADYHWCTVJQ-JKSUJKDBSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)CC[NH2+][C@H](C)c1ccccc1)N(C)C ZINC001481243519 1079457827 /nfs/dbraw/zinc/45/78/27/1079457827.db2.gz UZSCDILDAGULKN-WBVHZDCISA-N 1 3 305.466 2.382 20 0 DEADHO C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589962281 1076536707 /nfs/dbraw/zinc/53/67/07/1076536707.db2.gz RQBAVQRZQUVLEF-LLVKDONJSA-N 1 3 318.400 2.046 20 0 DEADHO C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001589962281 1076536710 /nfs/dbraw/zinc/53/67/10/1076536710.db2.gz RQBAVQRZQUVLEF-LLVKDONJSA-N 1 3 318.400 2.046 20 0 DEADHO C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC001589978288 1076541871 /nfs/dbraw/zinc/54/18/71/1076541871.db2.gz LNCWKEQNDBYOQA-NQBHXWOUSA-N 1 3 318.400 2.174 20 0 DEADHO C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(-c2nn[n-]n2)cc1F ZINC001589978288 1076541876 /nfs/dbraw/zinc/54/18/76/1076541876.db2.gz LNCWKEQNDBYOQA-NQBHXWOUSA-N 1 3 318.400 2.174 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+]CCc1ccccc1 ZINC001369315998 1148897933 /nfs/dbraw/zinc/89/79/33/1148897933.db2.gz VQFGECMUWUNHDK-INIZCTEOSA-N 1 3 305.466 2.006 20 0 DEADHO CN(C)C[C@H](NC(=O)c1ccc(C[NH3+])cc1)c1ccc(F)cc1 ZINC001650444217 1079628453 /nfs/dbraw/zinc/62/84/53/1079628453.db2.gz WXMONWCEGSQUCZ-KRWDZBQOSA-N 1 3 315.392 2.317 20 0 DEADHO CC[C@@H](C(=O)NC1(C)CC[NH+](CC[C@@H](C)F)CC1)N(C)C ZINC001421166102 1079640842 /nfs/dbraw/zinc/64/08/42/1079640842.db2.gz XIUAZGVHIWHEAA-KGLIPLIRSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+]CCN(C)C(=O)CN1CCC(C)CC1 ZINC001481295649 1079676184 /nfs/dbraw/zinc/67/61/84/1079676184.db2.gz ZYLBIWGTXLJCIV-QGZVFWFLSA-N 1 3 311.514 2.449 20 0 DEADHO Cc1cccc(C[N@@H+](C)CCCN(C)C(=O)CN2CCCC2)c1 ZINC001484768755 1079794643 /nfs/dbraw/zinc/79/46/43/1079794643.db2.gz WSPAGECZHFHZLJ-UHFFFAOYSA-N 1 3 317.477 2.371 20 0 DEADHO Cc1cccc(C[N@H+](C)CCCN(C)C(=O)CN2CCCC2)c1 ZINC001484768755 1079794647 /nfs/dbraw/zinc/79/46/47/1079794647.db2.gz WSPAGECZHFHZLJ-UHFFFAOYSA-N 1 3 317.477 2.371 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001484833018 1079820835 /nfs/dbraw/zinc/82/08/35/1079820835.db2.gz ZNMAULSAUCMNOK-GOSISDBHSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001484833018 1079820840 /nfs/dbraw/zinc/82/08/40/1079820840.db2.gz ZNMAULSAUCMNOK-GOSISDBHSA-N 1 3 307.482 2.051 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCCCCF)CC1 ZINC001484913199 1079856183 /nfs/dbraw/zinc/85/61/83/1079856183.db2.gz GQRLMLJXNFVOOC-HNNXBMFYSA-N 1 3 313.461 2.191 20 0 DEADHO CN(CC(=O)N1CCC(C)([NH2+]C/C=C/Cl)CC1)C1CCC1 ZINC001484918636 1079860942 /nfs/dbraw/zinc/86/09/42/1079860942.db2.gz VVAQTZSBPHHGFJ-RUDMXATFSA-N 1 3 313.873 2.194 20 0 DEADHO CCOc1ccccc1C[NH2+]C[C@@H](C)N1CCN(CC)CC1 ZINC000067671645 1079899666 /nfs/dbraw/zinc/89/96/66/1079899666.db2.gz JOQQVALARUBPEU-MRXNPFEDSA-N 1 3 305.466 2.201 20 0 DEADHO CC1CCN(CC(=O)N2CCC[C@H]2C[N@H+](C)CCC2CC2)CC1 ZINC001485072808 1079958604 /nfs/dbraw/zinc/95/86/04/1079958604.db2.gz IPWUDNSTNHDPHJ-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CC1CCN(CC(=O)N2CCC[C@H]2C[N@@H+](C)CCC2CC2)CC1 ZINC001485072808 1079958611 /nfs/dbraw/zinc/95/86/11/1079958611.db2.gz IPWUDNSTNHDPHJ-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](F)C[NH2+]CC(C)(C)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001485260722 1080095534 /nfs/dbraw/zinc/09/55/34/1080095534.db2.gz PAGYRUJNNKVOPD-HUUCEWRRSA-N 1 3 315.477 2.151 20 0 DEADHO CC[NH+]1CCC(CN2CCN(c3cccc(F)n3)CC2)CC1 ZINC001659262022 1080236581 /nfs/dbraw/zinc/23/65/81/1080236581.db2.gz GKSNNKORCAEDAD-UHFFFAOYSA-N 1 3 306.429 2.075 20 0 DEADHO CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001485601102 1080324363 /nfs/dbraw/zinc/32/43/63/1080324363.db2.gz INQMDPHGLDOXGV-OSYLJGHBSA-N 1 3 321.509 2.345 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001485601102 1080324376 /nfs/dbraw/zinc/32/43/76/1080324376.db2.gz INQMDPHGLDOXGV-OSYLJGHBSA-N 1 3 321.509 2.345 20 0 DEADHO CCN(C(=O)CN1CC[C@H](C)C1)[C@H]1CC[N@H+](CC=C(C)C)C1 ZINC001481774524 1080489932 /nfs/dbraw/zinc/48/99/32/1080489932.db2.gz LIXNJMMNFQPQNQ-IRXDYDNUSA-N 1 3 307.482 2.217 20 0 DEADHO CCN(C(=O)CN1CC[C@H](C)C1)[C@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001481774524 1080489935 /nfs/dbraw/zinc/48/99/35/1080489935.db2.gz LIXNJMMNFQPQNQ-IRXDYDNUSA-N 1 3 307.482 2.217 20 0 DEADHO CN(CC(=O)N(C)[C@@H](C[NH2+]CC1CCC1)C1CC1)C1CCC1 ZINC001485815063 1080491079 /nfs/dbraw/zinc/49/10/79/1080491079.db2.gz WSJHLUJNBMYKMT-KRWDZBQOSA-N 1 3 307.482 2.097 20 0 DEADHO CCCCC[NH2+]C[C@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001661946701 1080548135 /nfs/dbraw/zinc/54/81/35/1080548135.db2.gz NEHJYAZLHUWJIW-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO CCCCC[NH2+][C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001662334207 1080599237 /nfs/dbraw/zinc/59/92/37/1080599237.db2.gz DCYAYUZBYZDXHH-RHSMWYFYSA-N 1 3 315.477 2.483 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC001649038372 1080632034 /nfs/dbraw/zinc/63/20/34/1080632034.db2.gz LWOKIJVKNZGELG-OAHLLOKOSA-N 1 3 317.433 2.229 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC001649038372 1080632038 /nfs/dbraw/zinc/63/20/38/1080632038.db2.gz LWOKIJVKNZGELG-OAHLLOKOSA-N 1 3 317.433 2.229 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H]([NH2+]CCCCCF)CC1 ZINC001482025882 1080700802 /nfs/dbraw/zinc/70/08/02/1080700802.db2.gz FAYYJPKDTSMIKU-SHTZXODSSA-N 1 3 324.444 2.417 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]C/C=C/Cl)CC1)N(C)C ZINC001482027163 1080701848 /nfs/dbraw/zinc/70/18/48/1080701848.db2.gz ZMMWDVZNFDVHIS-HUWVMBBISA-N 1 3 301.862 2.096 20 0 DEADHO CC[C@H](C(=O)NC/C=C\C[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001268616350 1080891952 /nfs/dbraw/zinc/89/19/52/1080891952.db2.gz HXGRDWDOAIXTED-OGZRUICASA-N 1 3 307.482 2.169 20 0 DEADHO C[C@@H]([NH2+]CCCN(C)C(=O)[C@H]1CCCN1C)c1ccccc1 ZINC001268812969 1081005568 /nfs/dbraw/zinc/00/55/68/1081005568.db2.gz ZJMMYXZEDFUSIA-NVXWUHKLSA-N 1 3 303.450 2.280 20 0 DEADHO CCN(CC[NH2+]Cc1cccc(C)c1)C(=O)CN1CC[C@@H](C)C1 ZINC001668555887 1081367279 /nfs/dbraw/zinc/36/72/79/1081367279.db2.gz YKFMWFAUKVXALZ-QGZVFWFLSA-N 1 3 317.477 2.275 20 0 DEADHO CCC1([NH2+]CC=C(C)C)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001673613841 1081385569 /nfs/dbraw/zinc/38/55/69/1081385569.db2.gz BHHOYRGTXVZBNO-UHFFFAOYSA-N 1 3 304.438 2.279 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C/CNCc1ccsc1 ZINC001668820233 1081401312 /nfs/dbraw/zinc/40/13/12/1081401312.db2.gz DOSUWWSDWQTWKM-CWDCEQMOSA-N 1 3 321.490 2.383 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC/C=C/CNCc1ccsc1 ZINC001668820233 1081401316 /nfs/dbraw/zinc/40/13/16/1081401316.db2.gz DOSUWWSDWQTWKM-CWDCEQMOSA-N 1 3 321.490 2.383 20 0 DEADHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCCCC(F)(F)F ZINC001668979163 1081414732 /nfs/dbraw/zinc/41/47/32/1081414732.db2.gz QYDOFUDHJPFNSG-MUBLQREKSA-N 1 3 321.387 2.075 20 0 DEADHO C[C@H](C[NH2+]CCCCC(F)(F)F)NC(=O)CN1CC[C@H](C)C1 ZINC001669399948 1081449570 /nfs/dbraw/zinc/44/95/70/1081449570.db2.gz VINWWJPAQBLDRT-QWHCGFSZSA-N 1 3 323.403 2.155 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]C/C=C/c1ccccc1)N(C)C ZINC001669450885 1081451519 /nfs/dbraw/zinc/45/15/19/1081451519.db2.gz RWYSXYLAEGUQKG-CTOFXIGKSA-N 1 3 317.477 2.380 20 0 DEADHO C[C@@H]([NH2+]CCCN(C)C(=O)Cc1c[nH]cn1)c1ccccc1 ZINC001670261308 1081506359 /nfs/dbraw/zinc/50/63/59/1081506359.db2.gz JKDRZAVEMUXYOI-CQSZACIVSA-N 1 3 300.406 2.152 20 0 DEADHO C[C@@H](C[NH2+]CCC(F)(F)F)N(C)C(=O)CN1CCC(C)CC1 ZINC001482346217 1081745452 /nfs/dbraw/zinc/74/54/52/1081745452.db2.gz YEZDTTKVTOOHHN-ZDUSSCGKSA-N 1 3 323.403 2.107 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC=C(C)C)C1 ZINC001482666220 1082446404 /nfs/dbraw/zinc/44/64/04/1082446404.db2.gz NWXQKFMRTXUSMA-IRXDYDNUSA-N 1 3 307.482 2.217 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC=C(C)C)C1 ZINC001482666220 1082446410 /nfs/dbraw/zinc/44/64/10/1082446410.db2.gz NWXQKFMRTXUSMA-IRXDYDNUSA-N 1 3 307.482 2.217 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCCF ZINC001482875880 1082540435 /nfs/dbraw/zinc/54/04/35/1082540435.db2.gz CFCJBLMAVAZUQO-CABCVRRESA-N 1 3 301.450 2.093 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)CN(C)C2CCC2)cc1 ZINC001483136979 1082769657 /nfs/dbraw/zinc/76/96/57/1082769657.db2.gz HTDJEQYXVRVSQC-OAHLLOKOSA-N 1 3 303.450 2.074 20 0 DEADHO CCc1cccc(C[NH2+]C[C@@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001483137219 1082770020 /nfs/dbraw/zinc/77/00/20/1082770020.db2.gz NFZPEKCHROJORH-OAHLLOKOSA-N 1 3 317.477 2.328 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccccc1C)N(C)C ZINC001483139565 1082770574 /nfs/dbraw/zinc/77/05/74/1082770574.db2.gz BRFLIZGQSQABBX-HLLBOEOZSA-N 1 3 305.466 2.491 20 0 DEADHO CN(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC1)CC2)C1CC1 ZINC001107438767 1083395334 /nfs/dbraw/zinc/39/53/34/1083395334.db2.gz ILRBKWRHEGLMPQ-ZHALLVOQSA-N 1 3 319.493 2.097 20 0 DEADHO CN(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC1)CC2)C1CC1 ZINC001107438767 1083395341 /nfs/dbraw/zinc/39/53/41/1083395341.db2.gz ILRBKWRHEGLMPQ-ZHALLVOQSA-N 1 3 319.493 2.097 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C1C[NH+](CC2=CCCCC2)C1)N(C)C ZINC001276454609 1083444959 /nfs/dbraw/zinc/44/49/59/1083444959.db2.gz XCEMVQXAAZSMOP-WMLDXEAASA-N 1 3 307.482 2.264 20 0 DEADHO CCOC(=O)c1ccnc(CN2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c1 ZINC001276470240 1083457364 /nfs/dbraw/zinc/45/73/64/1083457364.db2.gz IZIMDPQBAOLXTI-IYBDPMFKSA-N 1 3 317.433 2.032 20 0 DEADHO CCOC(=O)c1ccnc(CN2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c1 ZINC001276470240 1083457369 /nfs/dbraw/zinc/45/73/69/1083457369.db2.gz IZIMDPQBAOLXTI-IYBDPMFKSA-N 1 3 317.433 2.032 20 0 DEADHO CN1CC[C@]2(C1)CCC[N@H+](C[C@H]1COC3(CCCCC3)O1)C2 ZINC001276501032 1083472695 /nfs/dbraw/zinc/47/26/95/1083472695.db2.gz YNJBMZSKGMAUPD-IRXDYDNUSA-N 1 3 308.466 2.480 20 0 DEADHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@H]1COC3(CCCCC3)O1)C2 ZINC001276501032 1083472696 /nfs/dbraw/zinc/47/26/96/1083472696.db2.gz YNJBMZSKGMAUPD-IRXDYDNUSA-N 1 3 308.466 2.480 20 0 DEADHO C[NH+](C)CCN1CCC[C@@]2(CCCN(Cc3cnsc3)C2)C1 ZINC001276607136 1083511338 /nfs/dbraw/zinc/51/13/38/1083511338.db2.gz BYWRWPDYBJLVGJ-QGZVFWFLSA-N 1 3 322.522 2.383 20 0 DEADHO COCc1ccc(CN2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)cc1 ZINC001276639103 1083528116 /nfs/dbraw/zinc/52/81/16/1083528116.db2.gz RIYROKPUJXWXEH-KDURUIRLSA-N 1 3 317.477 2.043 20 0 DEADHO C[NH+]1CCC(CCN2C[C@H]3CC[C@@H](C2)N3Cc2ccc[nH]2)CC1 ZINC001276725763 1083572778 /nfs/dbraw/zinc/57/27/78/1083572778.db2.gz DMUZFDPBCGTLMQ-KDURUIRLSA-N 1 3 316.493 2.395 20 0 DEADHO CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(-n3ccnn3)cc1)C2 ZINC001276796494 1083614815 /nfs/dbraw/zinc/61/48/15/1083614815.db2.gz KPHSVYDUNFFJGG-GOSISDBHSA-N 1 3 311.433 2.185 20 0 DEADHO CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(-n3ccnn3)cc1)C2 ZINC001276796494 1083614820 /nfs/dbraw/zinc/61/48/20/1083614820.db2.gz KPHSVYDUNFFJGG-GOSISDBHSA-N 1 3 311.433 2.185 20 0 DEADHO C[N@@H+]1CCC2(C1)CC[NH+](Cc1sc(=O)[n-]c1Cl)CC2 ZINC001276838309 1083640745 /nfs/dbraw/zinc/64/07/45/1083640745.db2.gz ROHADYUOSRNSJA-UHFFFAOYSA-N 1 3 301.843 2.420 20 0 DEADHO C[N@H+]1CCC2(C1)CC[NH+](Cc1sc(=O)[n-]c1Cl)CC2 ZINC001276838309 1083640750 /nfs/dbraw/zinc/64/07/50/1083640750.db2.gz ROHADYUOSRNSJA-UHFFFAOYSA-N 1 3 301.843 2.420 20 0 DEADHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC001203456395 1083644211 /nfs/dbraw/zinc/64/42/11/1083644211.db2.gz WTFQIRMIZVXRKU-UHFFFAOYSA-N 1 3 321.440 2.248 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001490949888 1083968857 /nfs/dbraw/zinc/96/88/57/1083968857.db2.gz SXOUGUYMVGAZCW-QAQDUYKDSA-N 1 3 321.440 2.235 20 0 DEADHO CN(C)CC[N@@H+]1CCC2(CN(CCCOc3ccccc3)C2)C1 ZINC001277876878 1084195743 /nfs/dbraw/zinc/19/57/43/1084195743.db2.gz BYHYVMLCURVONC-UHFFFAOYSA-N 1 3 317.477 2.025 20 0 DEADHO CN(C)CC[N@H+]1CCC2(CN(CCCOc3ccccc3)C2)C1 ZINC001277876878 1084195746 /nfs/dbraw/zinc/19/57/46/1084195746.db2.gz BYHYVMLCURVONC-UHFFFAOYSA-N 1 3 317.477 2.025 20 0 DEADHO FC1(F)CCNC[C@]12CC[N@H+](Cc1cccc3c1NCC3)C2 ZINC001235093688 1084310152 /nfs/dbraw/zinc/31/01/52/1084310152.db2.gz NKQSKGZEQFFMGZ-INIZCTEOSA-N 1 3 307.388 2.475 20 0 DEADHO FC1(F)CCNC[C@]12CC[N@@H+](Cc1cccc3c1NCC3)C2 ZINC001235093688 1084310160 /nfs/dbraw/zinc/31/01/60/1084310160.db2.gz NKQSKGZEQFFMGZ-INIZCTEOSA-N 1 3 307.388 2.475 20 0 DEADHO C[C@@H]1CNCC(F)(F)[C@H]1CN1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001235218841 1084350161 /nfs/dbraw/zinc/35/01/61/1084350161.db2.gz PWTDBNRMKBCYTE-ISWURRPUSA-N 1 3 321.415 2.048 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCCC1)N(C)C ZINC001235589609 1084473243 /nfs/dbraw/zinc/47/32/43/1084473243.db2.gz UDCBNMTWIJTMSV-IRXDYDNUSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCC1)N(C)C ZINC001235589609 1084473248 /nfs/dbraw/zinc/47/32/48/1084473248.db2.gz UDCBNMTWIJTMSV-IRXDYDNUSA-N 1 3 309.498 2.296 20 0 DEADHO Nc1ccc2c(c1)[nH]nc2CN1CCC(C2CC[NH2+]CC2)CC1 ZINC001235703505 1084506649 /nfs/dbraw/zinc/50/66/49/1084506649.db2.gz WQBWVDHBLFMERT-UHFFFAOYSA-N 1 3 313.449 2.357 20 0 DEADHO CC(C)(C)OC(=O)[C@H]1CCN(Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001235714398 1084511448 /nfs/dbraw/zinc/51/14/48/1084511448.db2.gz KVVUQZOBCZCMLX-KRWDZBQOSA-N 1 3 316.445 2.496 20 0 DEADHO CC[N@H+](CCN1CCCCC1)C[C@H]1[C@@H](C)CNCC1(F)F ZINC001235960212 1084572705 /nfs/dbraw/zinc/57/27/05/1084572705.db2.gz HJBAJFNBEWZTJH-GJZGRUSLSA-N 1 3 303.441 2.285 20 0 DEADHO CC[N@@H+](CCN1CCCCC1)C[C@H]1[C@@H](C)CNCC1(F)F ZINC001235960212 1084572711 /nfs/dbraw/zinc/57/27/11/1084572711.db2.gz HJBAJFNBEWZTJH-GJZGRUSLSA-N 1 3 303.441 2.285 20 0 DEADHO CCN(CC[NH+]1CCCCC1)C[C@H]1[C@@H](C)CNCC1(F)F ZINC001235960212 1084572716 /nfs/dbraw/zinc/57/27/16/1084572716.db2.gz HJBAJFNBEWZTJH-GJZGRUSLSA-N 1 3 303.441 2.285 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CCCC1 ZINC001485960185 1085022137 /nfs/dbraw/zinc/02/21/37/1085022137.db2.gz BBVRGHHFPUXKDI-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)N(C)CC[NH2+]Cc1cc(C)cc(C)c1)N(C)C ZINC001493590706 1085045905 /nfs/dbraw/zinc/04/59/05/1085045905.db2.gz LHZYTWMCDIHEJA-QGZVFWFLSA-N 1 3 305.466 2.192 20 0 DEADHO CC[NH2+][C@@H](CCNC(=O)CN1CC[C@@H](C)C1)Cc1ccccc1 ZINC001486187732 1085115892 /nfs/dbraw/zinc/11/58/92/1085115892.db2.gz BSVMGMBSNNNSFP-AEFFLSMTSA-N 1 3 317.477 2.055 20 0 DEADHO CC[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001486436702 1085313042 /nfs/dbraw/zinc/31/30/42/1085313042.db2.gz PBRZBUJSYVTTHT-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]CC2=CCCCC2)C1)N(C)C ZINC001486476459 1085356095 /nfs/dbraw/zinc/35/60/95/1085356095.db2.gz ATLCHGTXRXYPIR-JCYILVPMSA-N 1 3 307.482 2.406 20 0 DEADHO CC(C)C[NH+]1CCC(C(=O)N2CCN(C3CC3)C[C@H](C)C2)CC1 ZINC001413030976 1085468939 /nfs/dbraw/zinc/46/89/39/1085468939.db2.gz PEUOYXSDVMLSCQ-INIZCTEOSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCC1 ZINC000960866063 1085487830 /nfs/dbraw/zinc/48/78/30/1085487830.db2.gz RLFFIBXROQJJHM-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC1 ZINC000960866063 1085487832 /nfs/dbraw/zinc/48/78/32/1085487832.db2.gz RLFFIBXROQJJHM-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[NH2+]C1CC2(CC(NC(=O)CN3[C@H](C)CC[C@H]3C)C2)C1 ZINC000965932856 1085699370 /nfs/dbraw/zinc/69/93/70/1085699370.db2.gz AODAKWBSFJLTHY-ANUBTTBHSA-N 1 3 307.482 2.285 20 0 DEADHO CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC000961412574 1085724001 /nfs/dbraw/zinc/72/40/01/1085724001.db2.gz SQQVBHBFGMBNOD-WMZOPIPTSA-N 1 3 321.509 2.299 20 0 DEADHO CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC000961412574 1085724013 /nfs/dbraw/zinc/72/40/13/1085724013.db2.gz SQQVBHBFGMBNOD-WMZOPIPTSA-N 1 3 321.509 2.299 20 0 DEADHO CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC000961412572 1085724145 /nfs/dbraw/zinc/72/41/45/1085724145.db2.gz SQQVBHBFGMBNOD-SJLPKXTDSA-N 1 3 321.509 2.299 20 0 DEADHO CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC000961412572 1085724151 /nfs/dbraw/zinc/72/41/51/1085724151.db2.gz SQQVBHBFGMBNOD-SJLPKXTDSA-N 1 3 321.509 2.299 20 0 DEADHO CC/C=C\CCC[N@@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001273116803 1086253725 /nfs/dbraw/zinc/25/37/25/1086253725.db2.gz UDARYXIPXSIZNP-XFHJGTJQSA-N 1 3 307.482 2.219 20 0 DEADHO CC/C=C\CCC[N@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001273116803 1086253737 /nfs/dbraw/zinc/25/37/37/1086253737.db2.gz UDARYXIPXSIZNP-XFHJGTJQSA-N 1 3 307.482 2.219 20 0 DEADHO CC(C)([NH3+])c1ccc(NC(=O)C2(N)Cc3ccccc3C2)cc1 ZINC001649133529 1087147564 /nfs/dbraw/zinc/14/75/64/1087147564.db2.gz HQKFDMCJPGCTFK-UHFFFAOYSA-N 1 3 309.413 2.315 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001168762656 1087181272 /nfs/dbraw/zinc/18/12/72/1087181272.db2.gz FSIWBLJJCRYDDV-AWEZNQCLSA-N 1 3 309.429 2.324 20 0 DEADHO C[C@@H]1C[N@H+](CC2CC2)C[C@H]1NC(=O)[C@H]1CCCN1C1CCCC1 ZINC001079849997 1088475045 /nfs/dbraw/zinc/47/50/45/1088475045.db2.gz FRAJMLDAVRWLSD-ZTFGCOKTSA-N 1 3 319.493 2.240 20 0 DEADHO C[C@@H]1C[N@@H+](CC2CC2)C[C@H]1NC(=O)[C@H]1CCCN1C1CCCC1 ZINC001079849997 1088475051 /nfs/dbraw/zinc/47/50/51/1088475051.db2.gz FRAJMLDAVRWLSD-ZTFGCOKTSA-N 1 3 319.493 2.240 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCC3)C[C@H]21)N(C)C ZINC001114795105 1088531477 /nfs/dbraw/zinc/53/14/77/1088531477.db2.gz WBAVLXPRIYGBHO-VSZNYVQBSA-N 1 3 321.509 2.199 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21)N(C)C ZINC001114795105 1088531490 /nfs/dbraw/zinc/53/14/90/1088531490.db2.gz WBAVLXPRIYGBHO-VSZNYVQBSA-N 1 3 321.509 2.199 20 0 DEADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21)CC(C)(C)C ZINC001114841557 1089025828 /nfs/dbraw/zinc/02/58/28/1089025828.db2.gz YBOCIUSBAVGLTB-QLPKVWCKSA-N 1 3 323.525 2.447 20 0 DEADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21)CC(C)(C)C ZINC001114841557 1089025847 /nfs/dbraw/zinc/02/58/47/1089025847.db2.gz YBOCIUSBAVGLTB-QLPKVWCKSA-N 1 3 323.525 2.447 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1)N(C)C ZINC000960130221 1089975894 /nfs/dbraw/zinc/97/58/94/1089975894.db2.gz ILLOQJQDJNFOJC-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001082742825 1090066650 /nfs/dbraw/zinc/06/66/50/1090066650.db2.gz SUUUKVWXAQMTQU-BFYDXBDKSA-N 1 3 321.509 2.201 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCCF)C1 ZINC001082851972 1090088743 /nfs/dbraw/zinc/08/87/43/1090088743.db2.gz MSULXXPYIOCJKQ-OAGGEKHMSA-N 1 3 313.461 2.047 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCCF)C1 ZINC001082851972 1090088753 /nfs/dbraw/zinc/08/87/53/1090088753.db2.gz MSULXXPYIOCJKQ-OAGGEKHMSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001410190449 1090406273 /nfs/dbraw/zinc/40/62/73/1090406273.db2.gz ZSWYJANWNPJWFL-QBPKDAKJSA-N 1 3 309.498 2.390 20 0 DEADHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCCC1CCCC1 ZINC001274262890 1091156555 /nfs/dbraw/zinc/15/65/55/1091156555.db2.gz JRNPHURZXXWSAA-VGOKWCNXSA-N 1 3 307.482 2.313 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2cccc(C)c2)C[C@@H]1C ZINC001410870856 1091179205 /nfs/dbraw/zinc/17/92/05/1091179205.db2.gz ILQOKIQKWBPOSF-WMZOPIPTSA-N 1 3 317.477 2.416 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCCC1 ZINC001412350626 1091338863 /nfs/dbraw/zinc/33/88/63/1091338863.db2.gz BWGDCJRTAQGBPE-OAHLLOKOSA-N 1 3 307.482 2.384 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CCCC1 ZINC001412350626 1091338870 /nfs/dbraw/zinc/33/88/70/1091338870.db2.gz BWGDCJRTAQGBPE-OAHLLOKOSA-N 1 3 307.482 2.384 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@H]([NH2+]C/C=C/Cl)C(C)(C)C1)N(C)C ZINC001411101126 1091341718 /nfs/dbraw/zinc/34/17/18/1091341718.db2.gz KPSAFLYVRUXDPG-JYASZMECSA-N 1 3 315.889 2.152 20 0 DEADHO CC(C)CCCN1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001273425374 1091345887 /nfs/dbraw/zinc/34/58/87/1091345887.db2.gz UJGPKRBKXXMZSE-GOSISDBHSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)N(CC[N@@H+](C)CC[C@@H](C)F)C(=O)CN1CC[C@H](C)C1 ZINC001411195716 1091404365 /nfs/dbraw/zinc/40/43/65/1091404365.db2.gz RWSQLMUKKYRNOB-JKSUJKDBSA-N 1 3 315.477 2.245 20 0 DEADHO CC(C)N(CC[N@H+](C)CC[C@@H](C)F)C(=O)CN1CC[C@H](C)C1 ZINC001411195716 1091404372 /nfs/dbraw/zinc/40/43/72/1091404372.db2.gz RWSQLMUKKYRNOB-JKSUJKDBSA-N 1 3 315.477 2.245 20 0 DEADHO c1c[nH]c(CN2C[C@H]3C[C@@H](C2)N(CCC[NH+]2CCCCC2)C3)c1 ZINC001276048440 1091484384 /nfs/dbraw/zinc/48/43/84/1091484384.db2.gz FLBWITJVEQRCAO-MJGOQNOKSA-N 1 3 316.493 2.397 20 0 DEADHO c1c[nH]c(CN2C[C@H]3C[C@@H](C2)[N@H+](CCCN2CCCCC2)C3)c1 ZINC001276048440 1091484392 /nfs/dbraw/zinc/48/43/92/1091484392.db2.gz FLBWITJVEQRCAO-MJGOQNOKSA-N 1 3 316.493 2.397 20 0 DEADHO c1c[nH]c(CN2C[C@H]3C[C@@H](C2)[N@@H+](CCCN2CCCCC2)C3)c1 ZINC001276048440 1091484397 /nfs/dbraw/zinc/48/43/97/1091484397.db2.gz FLBWITJVEQRCAO-MJGOQNOKSA-N 1 3 316.493 2.397 20 0 DEADHO CN(C)C(=O)CN1CCCC2(CC[NH+](CC3CCCC3)CC2)C1 ZINC001275153989 1091589271 /nfs/dbraw/zinc/58/92/71/1091589271.db2.gz RHFQJODVEGIEHR-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CN(C)CC[N@@H+]1CCCC2(CCN(Cc3cccn3C)CC2)C1 ZINC001275233669 1091628066 /nfs/dbraw/zinc/62/80/66/1091628066.db2.gz GUMCFRRKWGGHAV-UHFFFAOYSA-N 1 3 318.509 2.265 20 0 DEADHO CN(C)CC[N@H+]1CCCC2(CCN(Cc3cccn3C)CC2)C1 ZINC001275233669 1091628069 /nfs/dbraw/zinc/62/80/69/1091628069.db2.gz GUMCFRRKWGGHAV-UHFFFAOYSA-N 1 3 318.509 2.265 20 0 DEADHO CN1CCN(CCCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC001250228571 1091895823 /nfs/dbraw/zinc/89/58/23/1091895823.db2.gz DXAOABLIJQZQCY-UHFFFAOYSA-N 1 3 301.478 2.462 20 0 DEADHO CN(C)CCN1CC[C@]2(CCC[N@H+](CCCCF)CC2)C1=O ZINC001273755741 1092031202 /nfs/dbraw/zinc/03/12/02/1092031202.db2.gz SULGZEBECGSKRL-QGZVFWFLSA-N 1 3 313.461 2.002 20 0 DEADHO CN(C)CCN1CC[C@]2(CCC[N@@H+](CCCCF)CC2)C1=O ZINC001273755741 1092031212 /nfs/dbraw/zinc/03/12/12/1092031212.db2.gz SULGZEBECGSKRL-QGZVFWFLSA-N 1 3 313.461 2.002 20 0 DEADHO CSc1ccc(CN2CC3(C2)CCN(CC[NH+](C)C)C3)cc1 ZINC001275900569 1092286515 /nfs/dbraw/zinc/28/65/15/1092286515.db2.gz HNDOFUMMNBACJS-UHFFFAOYSA-N 1 3 319.518 2.478 20 0 DEADHO COc1cc(CN2CC3(C2)CCN(CC[NH+](C)C)C3)ccc1C ZINC001275963423 1092385168 /nfs/dbraw/zinc/38/51/68/1092385168.db2.gz VJOIRQKKBZVSKL-UHFFFAOYSA-N 1 3 317.477 2.073 20 0 DEADHO CN1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCC1=CCCCC1 ZINC001273911511 1092499692 /nfs/dbraw/zinc/49/96/92/1092499692.db2.gz UDJOFMJWDWBDHS-RTRPANQVSA-N 1 3 305.466 2.233 20 0 DEADHO CCN(CCCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccccc1F ZINC001490356624 1093350784 /nfs/dbraw/zinc/35/07/84/1093350784.db2.gz JKKBMMKNLGBQLI-INIZCTEOSA-N 1 3 321.440 2.106 20 0 DEADHO CCN(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccccc1F ZINC001490356624 1093350790 /nfs/dbraw/zinc/35/07/90/1093350790.db2.gz JKKBMMKNLGBQLI-INIZCTEOSA-N 1 3 321.440 2.106 20 0 DEADHO COC(=O)[C@H]1C[N@H+](CCCCCc2ccccc2)CC[C@@H]1N ZINC001236411533 1138359205 /nfs/dbraw/zinc/35/92/05/1138359205.db2.gz NHNXCCBETXKORZ-IRXDYDNUSA-N 1 3 304.434 2.222 20 0 DEADHO COC(=O)[C@H]1C[N@@H+](CCCCCc2ccccc2)CC[C@@H]1N ZINC001236411533 1138359210 /nfs/dbraw/zinc/35/92/10/1138359210.db2.gz NHNXCCBETXKORZ-IRXDYDNUSA-N 1 3 304.434 2.222 20 0 DEADHO CS(=O)(=O)c1cccc(C2CCN(CCCC[NH3+])CC2)c1 ZINC001236605407 1138383489 /nfs/dbraw/zinc/38/34/89/1138383489.db2.gz SDZOKGMQSFRMNO-UHFFFAOYSA-N 1 3 310.463 2.008 20 0 DEADHO [NH3+]CCCCN1CCN(c2cccc(OC(F)(F)F)c2)CC1 ZINC001236951633 1138465081 /nfs/dbraw/zinc/46/50/81/1138465081.db2.gz YLSHCKIXZIQAKX-UHFFFAOYSA-N 1 3 317.355 2.446 20 0 DEADHO CCc1cccc(CC)c1NC(=S)NCCC[NH2+]CCCN ZINC001239397279 1139035209 /nfs/dbraw/zinc/03/52/09/1139035209.db2.gz YHLIUWNJDWSQCA-UHFFFAOYSA-N 1 3 322.522 2.426 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC2CCC2)CN1C(=O)CN(C)CC(C)(C)C ZINC001369407065 1148941199 /nfs/dbraw/zinc/94/11/99/1148941199.db2.gz RRRZOWGFHJWNMO-ZBFHGGJFSA-N 1 3 309.498 2.343 20 0 DEADHO C[NH+](C)CCOc1ccc(-c2ccc3c(n2)OCCNC3)cc1 ZINC001242148481 1139879065 /nfs/dbraw/zinc/87/90/65/1139879065.db2.gz BDTMDLFZIROWHO-UHFFFAOYSA-N 1 3 313.401 2.171 20 0 DEADHO CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)NCCF ZINC001421449078 1171804549 /nfs/dbraw/zinc/80/45/49/1171804549.db2.gz HJTVWEZOJFMSSD-HOCLYGCPSA-N 1 3 313.461 2.237 20 0 DEADHO CC[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)NCCF ZINC001421449078 1171804551 /nfs/dbraw/zinc/80/45/51/1171804551.db2.gz HJTVWEZOJFMSSD-HOCLYGCPSA-N 1 3 313.461 2.237 20 0 DEADHO c1cn(Cc2ccc(-c3cc(N4CC[NH2+]CC4)ccn3)cc2)cn1 ZINC001243658540 1140204809 /nfs/dbraw/zinc/20/48/09/1140204809.db2.gz SQUKMJYIYYKMAG-UHFFFAOYSA-N 1 3 319.412 2.403 20 0 DEADHO C[NH+](C)CCCOc1ccc(-c2ncc3c(n2)CCNC3)cc1 ZINC001245337743 1140618687 /nfs/dbraw/zinc/61/86/87/1140618687.db2.gz PCLNWCRYDOKVFG-UHFFFAOYSA-N 1 3 312.417 2.120 20 0 DEADHO NC1(C[NH2+]C[C@@H](O)COc2cccc3ccccc32)CCCC1 ZINC001245976032 1140840411 /nfs/dbraw/zinc/84/04/11/1140840411.db2.gz SIOQEUFCUVZTPC-MRXNPFEDSA-N 1 3 314.429 2.441 20 0 DEADHO O=C(c1ccccc1)N1CCC[C@H](N[C@@H]2CCCC[NH2+]C2)CC1 ZINC001246089326 1140859392 /nfs/dbraw/zinc/85/93/92/1140859392.db2.gz COFPMWZLLGZHAK-ZWKOTPCHSA-N 1 3 315.461 2.413 20 0 DEADHO Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H](F)CN2)CCN1 ZINC001246089346 1140859447 /nfs/dbraw/zinc/85/94/47/1140859447.db2.gz CXGHQTXKFBKKMF-JKQORVJESA-N 1 3 309.404 2.217 20 0 DEADHO c1ccc2c(c1)CCC21CCC(N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC001246147429 1140866643 /nfs/dbraw/zinc/86/66/43/1140866643.db2.gz KQVBELYLKZDMSL-GUBVKFCJSA-N 1 3 312.457 2.390 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccc(F)cc3)CC2)CCN1 ZINC001246181296 1140870219 /nfs/dbraw/zinc/87/02/19/1140870219.db2.gz SYRSTJYXPVFGAS-DYVFJYSZSA-N 1 3 319.424 2.160 20 0 DEADHO Cc1cc(F)ccc1CN1CCC([NH2+][C@@H]2CCCNC2)CC1 ZINC001246356562 1140887580 /nfs/dbraw/zinc/88/75/80/1140887580.db2.gz SJWBFMCNJMICAK-GOSISDBHSA-N 1 3 305.441 2.440 20 0 DEADHO COc1ccc(F)c(CN2CCC(N[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC001246361984 1140887986 /nfs/dbraw/zinc/88/79/86/1140887986.db2.gz ZICDPZFUQDOJCU-MRXNPFEDSA-N 1 3 321.440 2.140 20 0 DEADHO O=C(c1ccc(F)cc1)N1CCC(C[NH2+]C2CCNCC2)CC1 ZINC001246362963 1140888712 /nfs/dbraw/zinc/88/87/12/1140888712.db2.gz VHNLEVCIUJIQDS-UHFFFAOYSA-N 1 3 319.424 2.020 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccncc3)CCOCC2)CCN1 ZINC001246387849 1140892322 /nfs/dbraw/zinc/89/23/22/1140892322.db2.gz LHMFBFMYWGXHSD-WBVHZDCISA-N 1 3 303.450 2.151 20 0 DEADHO CCN(CC)C(=O)c1ccc(CC[NH2+][C@H]2CCN[C@H](C)C2)cc1 ZINC001246487092 1140922453 /nfs/dbraw/zinc/92/24/53/1140922453.db2.gz ZFWNSNHSWWPWMY-QAPCUYQASA-N 1 3 317.477 2.441 20 0 DEADHO CCN(CC)C(=O)c1ccc(CCN[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC001246487092 1140922460 /nfs/dbraw/zinc/92/24/60/1140922460.db2.gz ZFWNSNHSWWPWMY-QAPCUYQASA-N 1 3 317.477 2.441 20 0 DEADHO CO[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246516417 1140932740 /nfs/dbraw/zinc/93/27/40/1140932740.db2.gz SERYZUHGWBRALK-DSLXNQLJSA-N 1 3 317.477 2.006 20 0 DEADHO N[C@H]1CN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@H]1F ZINC001246527493 1140936794 /nfs/dbraw/zinc/93/67/94/1140936794.db2.gz DUTQPMPOYGWQJZ-ILOCAZANSA-N 1 3 303.425 2.163 20 0 DEADHO N[C@H]1CN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@H]1F ZINC001246527493 1140936814 /nfs/dbraw/zinc/93/68/14/1140936814.db2.gz DUTQPMPOYGWQJZ-ILOCAZANSA-N 1 3 303.425 2.163 20 0 DEADHO CCOC(=O)[C@@]12CN([C@@H](C)Cc3ccco3)C[C@@H]1C[NH2+]CCC2 ZINC001246593582 1140993203 /nfs/dbraw/zinc/99/32/03/1140993203.db2.gz HGLPNHNRJOOUGB-MPGHIAIKSA-N 1 3 320.433 2.075 20 0 DEADHO CCCCC[C@H](CCC)[N@@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246625972 1141010297 /nfs/dbraw/zinc/01/02/97/1141010297.db2.gz IQMZWNXNGNTIFG-YJBOKZPZSA-N 1 3 307.482 2.147 20 0 DEADHO CCCCC[C@H](CCC)[N@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246625972 1141010305 /nfs/dbraw/zinc/01/03/05/1141010305.db2.gz IQMZWNXNGNTIFG-YJBOKZPZSA-N 1 3 307.482 2.147 20 0 DEADHO CCCC[C@H](Cc1ccccc1)N1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001246643805 1141019899 /nfs/dbraw/zinc/01/98/99/1141019899.db2.gz DDTTYKDZHFALID-QRVBRYPASA-N 1 3 302.462 2.302 20 0 DEADHO Cc1cccc(C)c1C[NH2+]C/C=C/CNC(=O)[C@H]1CCCN1C ZINC001320996514 1141022167 /nfs/dbraw/zinc/02/21/67/1141022167.db2.gz FKUYFCRJTXCFLX-SHCNBLLESA-N 1 3 315.461 2.160 20 0 DEADHO C[C@H]1C[C@H](N(Cc2ccccc2)[C@@H]2CCNC[C@H]2F)CC[NH2+]1 ZINC001246833278 1141079399 /nfs/dbraw/zinc/07/93/99/1141079399.db2.gz KALLOSSADWZAJQ-DZOHQFGASA-N 1 3 305.441 2.329 20 0 DEADHO CC[C@@H](Cc1ccc2c(c1)OCO2)N1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246843686 1141083830 /nfs/dbraw/zinc/08/38/30/1141083830.db2.gz VTAMMDKUXOZHPO-KRXQYRFLSA-N 1 3 302.418 2.406 20 0 DEADHO CC[C@@H]1CO[C@](C)(CCC(C)C)N1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246845720 1141084507 /nfs/dbraw/zinc/08/45/07/1141084507.db2.gz NGALVRQMKSJSHL-BRWVUGGUSA-N 1 3 309.498 2.344 20 0 DEADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@H]3[NH2+]CCC[C@H]3C1)C2 ZINC001247013079 1141244497 /nfs/dbraw/zinc/24/44/97/1141244497.db2.gz FLCKIAABTNBIES-FIDHJVLJSA-N 1 3 321.465 2.212 20 0 DEADHO CC[C@H](C(=O)N(C)CCC[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001322566451 1141630964 /nfs/dbraw/zinc/63/09/64/1141630964.db2.gz OVJMTAUDTZRLOE-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO COc1cccc([C@H](O)C[NH2+][C@@H]2CCN(C(C)C)C[C@H]2C)c1 ZINC001250740968 1142301336 /nfs/dbraw/zinc/30/13/36/1142301336.db2.gz DEZIANOFKODRFT-ZTFGCOKTSA-N 1 3 306.450 2.437 20 0 DEADHO CC(C)c1ccc(OC[C@H](O)CN[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC001250784641 1142313689 /nfs/dbraw/zinc/31/36/89/1142313689.db2.gz FITBKUMKIRVIKA-KVSKMBFKSA-N 1 3 320.477 2.480 20 0 DEADHO CC(C)c1ccc(OC[C@H](O)CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC001250784641 1142313696 /nfs/dbraw/zinc/31/36/96/1142313696.db2.gz FITBKUMKIRVIKA-KVSKMBFKSA-N 1 3 320.477 2.480 20 0 DEADHO O[C@@H](C[NH2+]CCCN1CCCCC1)COc1ccc(F)cc1 ZINC001251946483 1142558235 /nfs/dbraw/zinc/55/82/35/1142558235.db2.gz ZRVLKWCIHSPOQY-INIZCTEOSA-N 1 3 310.413 2.031 20 0 DEADHO C[NH+](C)CCCCC(=O)N1C[C@H](NC/C=C\Cl)C(C)(C)C1 ZINC001278684703 1142824319 /nfs/dbraw/zinc/82/43/19/1142824319.db2.gz JDUQDCQMZNLCIM-LEJCZOIISA-N 1 3 315.889 2.297 20 0 DEADHO CCN(CC)C[C@H](O)C[NH+]1CCC(COc2ccccc2)CC1 ZINC001253190772 1142851555 /nfs/dbraw/zinc/85/15/55/1142851555.db2.gz RUXMHGXJOCPUDE-SFHVURJKSA-N 1 3 320.477 2.480 20 0 DEADHO CCN(CC)C[C@@H](O)C[NH2+]C1(Cc2ccc(OC)cc2)CC1 ZINC001253211526 1142854479 /nfs/dbraw/zinc/85/44/79/1142854479.db2.gz GTDLLPSDTGFGKF-INIZCTEOSA-N 1 3 306.450 2.063 20 0 DEADHO CCN(CC)C[C@@H](O)C[NH2+][C@@H](c1cccc(OC)c1)C1CC1 ZINC001253217194 1142855323 /nfs/dbraw/zinc/85/53/23/1142855323.db2.gz UWLDAVYXASTCGC-FUHWJXTLSA-N 1 3 306.450 2.439 20 0 DEADHO CC(C)(C)[NH2+]C[C@@H](O)CNCCc1c[nH]c2ccc(F)cc12 ZINC001253403621 1142869537 /nfs/dbraw/zinc/86/95/37/1142869537.db2.gz HEJDOSYKRCATBD-AWEZNQCLSA-N 1 3 307.413 2.188 20 0 DEADHO CC(C)(C)[C@@H](O)C[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001253747173 1142905766 /nfs/dbraw/zinc/90/57/66/1142905766.db2.gz JMQVXGQLSSCPSZ-KRWDZBQOSA-N 1 3 305.466 2.290 20 0 DEADHO OC1(CN2CCC[C@@H](F)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001254037029 1143029494 /nfs/dbraw/zinc/02/94/94/1143029494.db2.gz MWEIMPNIBBAKQK-QGZVFWFLSA-N 1 3 306.425 2.447 20 0 DEADHO OC1(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CCN(Cc2ccccc2)CC1 ZINC001254039836 1143030374 /nfs/dbraw/zinc/03/03/74/1143030374.db2.gz LSPNQOOZYHXJBI-NNZMDNLPSA-N 1 3 318.436 2.161 20 0 DEADHO OC1(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CCN(Cc2ccccc2)CC1 ZINC001254039836 1143030382 /nfs/dbraw/zinc/03/03/82/1143030382.db2.gz LSPNQOOZYHXJBI-NNZMDNLPSA-N 1 3 318.436 2.161 20 0 DEADHO C[N@H+](CC1(O)CCN(Cc2ccccc2)CC1)[C@H]1CCCOC1 ZINC001254044156 1143031302 /nfs/dbraw/zinc/03/13/02/1143031302.db2.gz VAYVWKDPXUDKQW-SFHVURJKSA-N 1 3 318.461 2.124 20 0 DEADHO C[N@@H+](CC1(O)CCN(Cc2ccccc2)CC1)[C@H]1CCCOC1 ZINC001254044156 1143031307 /nfs/dbraw/zinc/03/13/07/1143031307.db2.gz VAYVWKDPXUDKQW-SFHVURJKSA-N 1 3 318.461 2.124 20 0 DEADHO C[N@@H+]1CCC[C@@H](N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)CC1 ZINC001254521620 1143195637 /nfs/dbraw/zinc/19/56/37/1143195637.db2.gz VTIVPNMBQJNINW-BZUAXINKSA-N 1 3 323.481 2.412 20 0 DEADHO C[N@H+]1CCC[C@@H](N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)CC1 ZINC001254521620 1143195654 /nfs/dbraw/zinc/19/56/54/1143195654.db2.gz VTIVPNMBQJNINW-BZUAXINKSA-N 1 3 323.481 2.412 20 0 DEADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CN(C)C3)CC1)C2 ZINC001255215883 1143509580 /nfs/dbraw/zinc/50/95/80/1143509580.db2.gz YROXBCUHJWRIBG-MUJYYYPQSA-N 1 3 321.465 2.166 20 0 DEADHO Cc1cncnc1O[C@H]1CCN(C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001255684387 1143801880 /nfs/dbraw/zinc/80/18/80/1143801880.db2.gz ZAOIQEMJYSGWGP-WFVVYAPDSA-N 1 3 316.449 2.253 20 0 DEADHO Cc1cncnc1O[C@H]1CCN(C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001255684387 1143801881 /nfs/dbraw/zinc/80/18/81/1143801881.db2.gz ZAOIQEMJYSGWGP-WFVVYAPDSA-N 1 3 316.449 2.253 20 0 DEADHO Cc1ccc(C[C@@H](C)[N@H+]2CCC(=O)N(CCN(C)C)CC2)cc1 ZINC001255793004 1143806892 /nfs/dbraw/zinc/80/68/92/1143806892.db2.gz ABKYTKAQQBKIPD-QGZVFWFLSA-N 1 3 317.477 2.022 20 0 DEADHO Cc1ccc(C[C@@H](C)[N@@H+]2CCC(=O)N(CCN(C)C)CC2)cc1 ZINC001255793004 1143806894 /nfs/dbraw/zinc/80/68/94/1143806894.db2.gz ABKYTKAQQBKIPD-QGZVFWFLSA-N 1 3 317.477 2.022 20 0 DEADHO C[C@H](Cc1ccc(F)cc1)N1CCN(CCC[NH+](C)C)CC1 ZINC001255875120 1143812026 /nfs/dbraw/zinc/81/20/26/1143812026.db2.gz GSSBIZFUEJOLBO-MRXNPFEDSA-N 1 3 307.457 2.326 20 0 DEADHO COc1cccc(CC[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256676353 1143861469 /nfs/dbraw/zinc/86/14/69/1143861469.db2.gz QKWIVEYTMQBYPB-UHFFFAOYSA-N 1 3 318.461 2.471 20 0 DEADHO Clc1ncccc1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256679445 1143861676 /nfs/dbraw/zinc/86/16/76/1143861676.db2.gz LIVCOOPURZUMFC-UHFFFAOYSA-N 1 3 309.841 2.468 20 0 DEADHO OC[C@@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1cccc(F)c1 ZINC001256682562 1143861726 /nfs/dbraw/zinc/86/17/26/1143861726.db2.gz LSFWTESIPMUXRN-DAWZGUTISA-N 1 3 322.424 2.092 20 0 DEADHO CC(C)n1cnc(C[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256683537 1143862005 /nfs/dbraw/zinc/86/20/05/1143862005.db2.gz ADBLIFKXRMWFJU-UHFFFAOYSA-N 1 3 306.454 2.197 20 0 DEADHO c1cnc2c(c1)CC[C@@H]2[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256683064 1143862040 /nfs/dbraw/zinc/86/20/40/1143862040.db2.gz QUALUNBQWROETC-JCYILVPMSA-N 1 3 301.434 2.302 20 0 DEADHO c1cnc2c(c1)[C@H]([NH2+]C1CCC(N3CCOCC3)CC1)CC2 ZINC001256684509 1143862220 /nfs/dbraw/zinc/86/22/20/1143862220.db2.gz QVJFFPKMFXEZEK-JTTJXQCZSA-N 1 3 301.434 2.302 20 0 DEADHO C[C@@H](Cc1ccncc1)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001256730144 1143864400 /nfs/dbraw/zinc/86/44/00/1143864400.db2.gz RJZBAOULFRZLEY-INIZCTEOSA-N 1 3 317.477 2.493 20 0 DEADHO CC(C)CN1CCC([NH2+][C@@H](CO)COCc2ccccc2)CC1 ZINC001258007485 1143964465 /nfs/dbraw/zinc/96/44/65/1143964465.db2.gz YFTCSOJNGFRFKG-IBGZPJMESA-N 1 3 320.477 2.274 20 0 DEADHO COC(=O)CC[C@@H](C)[NH+]1CCC(N)(c2ccccc2OC)CC1 ZINC001258359194 1143995498 /nfs/dbraw/zinc/99/54/98/1143995498.db2.gz WVBOEDWFDDNLFF-CQSZACIVSA-N 1 3 320.433 2.287 20 0 DEADHO COC(=O)CC[C@H](C)[NH+]1CCC(N)(c2ccccc2OC)CC1 ZINC001258359193 1143995518 /nfs/dbraw/zinc/99/55/18/1143995518.db2.gz WVBOEDWFDDNLFF-AWEZNQCLSA-N 1 3 320.433 2.287 20 0 DEADHO CCCC1CCC([N@H+]2CCC(=O)N(CCN(C)C)CC2)CC1 ZINC001258534348 1144017885 /nfs/dbraw/zinc/01/78/85/1144017885.db2.gz XAUBOGZNUMKUIB-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CCCC1CCC([N@@H+]2CCC(=O)N(CCN(C)C)CC2)CC1 ZINC001258534348 1144017889 /nfs/dbraw/zinc/01/78/89/1144017889.db2.gz XAUBOGZNUMKUIB-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[NH+]1CCC(N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC001258773733 1144039812 /nfs/dbraw/zinc/03/98/12/1144039812.db2.gz AEJNORVSBJUBBG-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO CCCN1CCC([N@@H+]2CC[C@H](Oc3ncncc3C)C2)CC1 ZINC001258778090 1144041622 /nfs/dbraw/zinc/04/16/22/1144041622.db2.gz VMMDPJIRMFYEBU-INIZCTEOSA-N 1 3 304.438 2.113 20 0 DEADHO CCCN1CCC([N@H+]2CC[C@H](Oc3ncncc3C)C2)CC1 ZINC001258778090 1144041626 /nfs/dbraw/zinc/04/16/26/1144041626.db2.gz VMMDPJIRMFYEBU-INIZCTEOSA-N 1 3 304.438 2.113 20 0 DEADHO CCCN1CCC([N@@H+]2CC[C@H](Oc3nccc(C)n3)C2)CC1 ZINC001258777898 1144041705 /nfs/dbraw/zinc/04/17/05/1144041705.db2.gz MCNBAAFEUBKHFH-INIZCTEOSA-N 1 3 304.438 2.113 20 0 DEADHO CCCN1CCC([N@H+]2CC[C@H](Oc3nccc(C)n3)C2)CC1 ZINC001258777898 1144041709 /nfs/dbraw/zinc/04/17/09/1144041709.db2.gz MCNBAAFEUBKHFH-INIZCTEOSA-N 1 3 304.438 2.113 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCCCC[C@@H]([NH2+]CCCF)C2)C1 ZINC001264122874 1144474230 /nfs/dbraw/zinc/47/42/30/1144474230.db2.gz VTJIVDBPEMTIQP-JKSUJKDBSA-N 1 3 313.461 2.049 20 0 DEADHO COCC[N@@H+]1CCO[C@@H]2CN(Cc3cccc(C)c3)CC[C@@H]2C1 ZINC000605684858 1144508618 /nfs/dbraw/zinc/50/86/18/1144508618.db2.gz UGGKYHBSKPTLLN-RTBURBONSA-N 1 3 318.461 2.164 20 0 DEADHO COCC[N@H+]1CCO[C@@H]2CN(Cc3cccc(C)c3)CC[C@@H]2C1 ZINC000605684858 1144508621 /nfs/dbraw/zinc/50/86/21/1144508621.db2.gz UGGKYHBSKPTLLN-RTBURBONSA-N 1 3 318.461 2.164 20 0 DEADHO CC(C)=CC[NH2+]C1CCC(NC(=O)C2(N(C)C)CCC2)CC1 ZINC001265736465 1144736007 /nfs/dbraw/zinc/73/60/07/1144736007.db2.gz VMAYKCDDPWEAIH-UHFFFAOYSA-N 1 3 307.482 2.454 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[N@H+](C)CCC1CC1 ZINC001265933829 1144762360 /nfs/dbraw/zinc/76/23/60/1144762360.db2.gz UCUUTUBPMDOGPZ-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)CCC1CC1 ZINC001265933829 1144762363 /nfs/dbraw/zinc/76/23/63/1144762363.db2.gz UCUUTUBPMDOGPZ-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)NCCC[N@H+](C)Cc1ccc(C)c(F)c1)N(C)C ZINC001265954754 1144768539 /nfs/dbraw/zinc/76/85/39/1144768539.db2.gz VFXRTXFXVZUYOZ-KRWDZBQOSA-N 1 3 323.456 2.412 20 0 DEADHO CC[C@@H](C(=O)NCCC[N@@H+](C)Cc1ccc(C)c(F)c1)N(C)C ZINC001265954754 1144768540 /nfs/dbraw/zinc/76/85/40/1144768540.db2.gz VFXRTXFXVZUYOZ-KRWDZBQOSA-N 1 3 323.456 2.412 20 0 DEADHO CC[C@H](C(=O)NCCC[N@H+](C)Cc1ccc(C)c(F)c1)N(C)C ZINC001265954755 1144768846 /nfs/dbraw/zinc/76/88/46/1144768846.db2.gz VFXRTXFXVZUYOZ-QGZVFWFLSA-N 1 3 323.456 2.412 20 0 DEADHO CC[C@H](C(=O)NCCC[N@@H+](C)Cc1ccc(C)c(F)c1)N(C)C ZINC001265954755 1144768852 /nfs/dbraw/zinc/76/88/52/1144768852.db2.gz VFXRTXFXVZUYOZ-QGZVFWFLSA-N 1 3 323.456 2.412 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001265964689 1144771577 /nfs/dbraw/zinc/77/15/77/1144771577.db2.gz ZKGCRVNFVXFAOZ-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO CCC/C=C/CC[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001266037358 1144797213 /nfs/dbraw/zinc/79/72/13/1144797213.db2.gz PYCMQNIFZZJVNT-LAQIPUCWSA-N 1 3 307.482 2.267 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]CCc2cccs2)C1 ZINC001266040101 1144798111 /nfs/dbraw/zinc/79/81/11/1144798111.db2.gz IRTZLIGLJUOFNL-OAHLLOKOSA-N 1 3 323.506 2.069 20 0 DEADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+]([C@@H](C)[C@H](C)O)C2)ccn1 ZINC001364477118 1145281754 /nfs/dbraw/zinc/28/17/54/1145281754.db2.gz CXVOHBOWKLNGIY-MPGHIAIKSA-N 1 3 321.465 2.144 20 0 DEADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+]([C@@H](C)[C@H](C)O)C2)ccn1 ZINC001364477118 1145281766 /nfs/dbraw/zinc/28/17/66/1145281766.db2.gz CXVOHBOWKLNGIY-MPGHIAIKSA-N 1 3 321.465 2.144 20 0 DEADHO C[N@@H+]1C[C@@]23CN(C[C@H](O)Cc4ccccc4)C[C@]2(C1)CCCC3 ZINC001364561305 1145344318 /nfs/dbraw/zinc/34/43/18/1145344318.db2.gz YOXCIGCLACZYOQ-AQNXPRMDSA-N 1 3 314.473 2.398 20 0 DEADHO C[N@H+]1C[C@@]23CN(C[C@H](O)Cc4ccccc4)C[C@]2(C1)CCCC3 ZINC001364561305 1145344324 /nfs/dbraw/zinc/34/43/24/1145344324.db2.gz YOXCIGCLACZYOQ-AQNXPRMDSA-N 1 3 314.473 2.398 20 0 DEADHO CN(CCF)C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001283344506 1145370623 /nfs/dbraw/zinc/37/06/23/1145370623.db2.gz SILSZDIXBYSBBD-UHFFFAOYSA-N 1 3 313.461 2.145 20 0 DEADHO Cn1cc(CCCN2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)cn1 ZINC001365015400 1145756260 /nfs/dbraw/zinc/75/62/60/1145756260.db2.gz ZMQNNEMDVBLGIR-HDICACEKSA-N 1 3 302.466 2.161 20 0 DEADHO Cn1cc(CCCN2C[C@]34C[N@@H+](C)C[C@@]3(C2)CCCC4)cn1 ZINC001365015400 1145756270 /nfs/dbraw/zinc/75/62/70/1145756270.db2.gz ZMQNNEMDVBLGIR-HDICACEKSA-N 1 3 302.466 2.161 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H]2CCC[C@]3(CCOC3)O2)[C@H](C)C1 ZINC001365278727 1145835803 /nfs/dbraw/zinc/83/58/03/1145835803.db2.gz SZTHTEMLCWOGCS-VSZNYVQBSA-N 1 3 310.482 2.377 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C[C@@H]2CCC[C@]3(CCOC3)O2)[C@H](C)C1 ZINC001365278727 1145835804 /nfs/dbraw/zinc/83/58/04/1145835804.db2.gz SZTHTEMLCWOGCS-VSZNYVQBSA-N 1 3 310.482 2.377 20 0 DEADHO CCN(C)C[C@H](O)C[N@@H+]1CCC[C@H](c2cncn2C(C)(C)C)C1 ZINC001365349632 1145854937 /nfs/dbraw/zinc/85/49/37/1145854937.db2.gz BPVDCXGKZJQVTI-HOTGVXAUSA-N 1 3 322.497 2.130 20 0 DEADHO CCN(C)C[C@H](O)C[N@H+]1CCC[C@H](c2cncn2C(C)(C)C)C1 ZINC001365349632 1145854938 /nfs/dbraw/zinc/85/49/38/1145854938.db2.gz BPVDCXGKZJQVTI-HOTGVXAUSA-N 1 3 322.497 2.130 20 0 DEADHO COc1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1F ZINC001365366295 1145860206 /nfs/dbraw/zinc/86/02/06/1145860206.db2.gz YPFVPXIFWVWMRQ-SJORKVTESA-N 1 3 322.424 2.302 20 0 DEADHO CC[C@H](C(=O)N1CCCCC[C@@H]([NH2+]C/C=C/Cl)C1)N(C)C ZINC001365883055 1146039034 /nfs/dbraw/zinc/03/90/34/1146039034.db2.gz HKEMCGAYYKLMOP-QSTFCLMHSA-N 1 3 315.889 2.440 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCC(C)C)C1 ZINC001491856396 1146923203 /nfs/dbraw/zinc/92/32/03/1146923203.db2.gz QMGUMXWDMBQKSS-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1ccc(C)c(CN2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001365943545 1146935402 /nfs/dbraw/zinc/93/54/02/1146935402.db2.gz UKHMAQYBFYTQOR-GOSISDBHSA-N 1 3 317.477 2.336 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(C)cc1)C1CC1)N(C)C ZINC001366058834 1147032737 /nfs/dbraw/zinc/03/27/37/1147032737.db2.gz QMCPZLDIWMWNDV-MSOLQXFVSA-N 1 3 317.477 2.320 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2F)C1)N(C)C ZINC001366125021 1147067518 /nfs/dbraw/zinc/06/75/18/1147067518.db2.gz HLNGMZIONPMXAD-WSMBLCCSSA-N 1 3 321.440 2.464 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1)N(C)C ZINC001366128937 1147069796 /nfs/dbraw/zinc/06/97/96/1147069796.db2.gz ZSYLZUDZUAUWNE-YOTSKQKMSA-N 1 3 309.498 2.390 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001366131299 1147070490 /nfs/dbraw/zinc/07/04/90/1147070490.db2.gz NETWGKFJYRMDAL-JQFCIGGWSA-N 1 3 321.440 2.465 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CCC(F)(F)F ZINC001366279800 1147190348 /nfs/dbraw/zinc/19/03/48/1147190348.db2.gz WCMWSFJFVVFPNR-LBPRGKRZSA-N 1 3 323.403 2.298 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001366343610 1147225254 /nfs/dbraw/zinc/22/52/54/1147225254.db2.gz FKGNXZVSDYNARH-CQSZACIVSA-N 1 3 316.449 2.104 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1cc2ccccc2o1)N(C)C ZINC001366351098 1147228979 /nfs/dbraw/zinc/22/89/79/1147228979.db2.gz HFHHRLZNKBQTSV-CZUORRHYSA-N 1 3 317.433 2.367 20 0 DEADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1cc(C)ccc1F)N(C)C ZINC001366512486 1147319242 /nfs/dbraw/zinc/31/92/42/1147319242.db2.gz SGLJBTOAVBHYNP-WMLDXEAASA-N 1 3 323.456 2.459 20 0 DEADHO C[N@H+](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)CCC1CC1 ZINC001366564089 1147357116 /nfs/dbraw/zinc/35/71/16/1147357116.db2.gz ANNLYVFRXXZEQT-KRWDZBQOSA-N 1 3 313.461 2.047 20 0 DEADHO C[N@@H+](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)CCC1CC1 ZINC001366564089 1147357123 /nfs/dbraw/zinc/35/71/23/1147357123.db2.gz ANNLYVFRXXZEQT-KRWDZBQOSA-N 1 3 313.461 2.047 20 0 DEADHO CCc1cccc(C[N@H+](C)CCNC(=O)CN(C)C(C)C)c1 ZINC001366594798 1147379738 /nfs/dbraw/zinc/37/97/38/1147379738.db2.gz GQTVNYUBSYTVAO-UHFFFAOYSA-N 1 3 305.466 2.137 20 0 DEADHO CCc1cccc(C[N@@H+](C)CCNC(=O)CN(C)C(C)C)c1 ZINC001366594798 1147379745 /nfs/dbraw/zinc/37/97/45/1147379745.db2.gz GQTVNYUBSYTVAO-UHFFFAOYSA-N 1 3 305.466 2.137 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)CCC[NH+]2CCCC2)cc1 ZINC001366597790 1147382092 /nfs/dbraw/zinc/38/20/92/1147382092.db2.gz UTJYRPZGWCOJJT-UHFFFAOYSA-N 1 3 317.477 2.419 20 0 DEADHO CC[N@H+](CCNC(=O)C(C)(C)N1CCCCC1)CC[C@H](C)F ZINC001366612068 1147393448 /nfs/dbraw/zinc/39/34/48/1147393448.db2.gz PLDOOIPLUBNHAO-HNNXBMFYSA-N 1 3 315.477 2.437 20 0 DEADHO CC[N@@H+](CCNC(=O)C(C)(C)N1CCCCC1)CC[C@H](C)F ZINC001366612068 1147393454 /nfs/dbraw/zinc/39/34/54/1147393454.db2.gz PLDOOIPLUBNHAO-HNNXBMFYSA-N 1 3 315.477 2.437 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](CC)Cc1ccccc1C)N(C)C ZINC001366613983 1147396278 /nfs/dbraw/zinc/39/62/78/1147396278.db2.gz MRKHVUFYYGYLHH-QGZVFWFLSA-N 1 3 305.466 2.273 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](CC)Cc1ccccc1C)N(C)C ZINC001366613983 1147396281 /nfs/dbraw/zinc/39/62/81/1147396281.db2.gz MRKHVUFYYGYLHH-QGZVFWFLSA-N 1 3 305.466 2.273 20 0 DEADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccsc3)C2)CCC1 ZINC001366705006 1147497485 /nfs/dbraw/zinc/49/74/85/1147497485.db2.gz STMJVVDGNMJCBW-AWEZNQCLSA-N 1 3 321.490 2.171 20 0 DEADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccsc3)C2)CCC1 ZINC001366705006 1147497490 /nfs/dbraw/zinc/49/74/90/1147497490.db2.gz STMJVVDGNMJCBW-AWEZNQCLSA-N 1 3 321.490 2.171 20 0 DEADHO Cc1ccccc1CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001366759149 1147544542 /nfs/dbraw/zinc/54/45/42/1147544542.db2.gz HJAMOOSNIGDBIC-QGZVFWFLSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccccc1CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001366759149 1147544555 /nfs/dbraw/zinc/54/45/55/1147544555.db2.gz HJAMOOSNIGDBIC-QGZVFWFLSA-N 1 3 315.461 2.027 20 0 DEADHO CC(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001366782210 1147557349 /nfs/dbraw/zinc/55/73/49/1147557349.db2.gz PQRBYVWWTBKLQK-DOTOQJQBSA-N 1 3 311.514 2.445 20 0 DEADHO C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H](CNCCF)C1 ZINC001316709635 1147591703 /nfs/dbraw/zinc/59/17/03/1147591703.db2.gz SYHKLKHOSZTDAU-CVEARBPZSA-N 1 3 313.461 2.049 20 0 DEADHO CCC(CC)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001366866311 1147599368 /nfs/dbraw/zinc/59/93/68/1147599368.db2.gz ONUIXERXYXSFQA-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO CCC(CC)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001366866311 1147599370 /nfs/dbraw/zinc/59/93/70/1147599370.db2.gz ONUIXERXYXSFQA-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO C[N@H+](CCC(C)(C)C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001366868927 1147600290 /nfs/dbraw/zinc/60/02/90/1147600290.db2.gz WCKXPIXGBGACOG-AWEZNQCLSA-N 1 3 306.454 2.169 20 0 DEADHO C[N@@H+](CCC(C)(C)C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001366868927 1147600291 /nfs/dbraw/zinc/60/02/91/1147600291.db2.gz WCKXPIXGBGACOG-AWEZNQCLSA-N 1 3 306.454 2.169 20 0 DEADHO CCN(C/C=C\Cl)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001316897479 1147626339 /nfs/dbraw/zinc/62/63/39/1147626339.db2.gz MZIBFQHATFZHAB-CLFYSBASSA-N 1 3 315.889 2.442 20 0 DEADHO CCc1cccc(CN2CC[C@H](NC(=O)CC[N@@H+](C)CC)C2)c1 ZINC001367020346 1147634066 /nfs/dbraw/zinc/63/40/66/1147634066.db2.gz RFBFPSHKRJFDLO-SFHVURJKSA-N 1 3 317.477 2.281 20 0 DEADHO CCc1cccc(CN2CC[C@H](NC(=O)CC[N@H+](C)CC)C2)c1 ZINC001367020346 1147634068 /nfs/dbraw/zinc/63/40/68/1147634068.db2.gz RFBFPSHKRJFDLO-SFHVURJKSA-N 1 3 317.477 2.281 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@H]([NH2+]CCCCCF)C1 ZINC001317096270 1147659243 /nfs/dbraw/zinc/65/92/43/1147659243.db2.gz CWFOICOETNUXKF-KLHDSHLOSA-N 1 3 313.461 2.236 20 0 DEADHO CC[C@H](F)CNC[C@H](C)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001367370633 1147684847 /nfs/dbraw/zinc/68/48/47/1147684847.db2.gz YSSKUWVNRSXFBX-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO CCc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001367374212 1147685524 /nfs/dbraw/zinc/68/55/24/1147685524.db2.gz ITPARWLPRCVOKL-CRAIPNDOSA-N 1 3 317.477 2.280 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]([NH2+]CC1CC(C)C1)C(C)C ZINC001367483041 1147700766 /nfs/dbraw/zinc/70/07/66/1147700766.db2.gz OKVWDKZFBFLIRH-LDZOIKDWSA-N 1 3 306.454 2.037 20 0 DEADHO CCCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001317524014 1147719797 /nfs/dbraw/zinc/71/97/97/1147719797.db2.gz WSPZLZCTCOJHHJ-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001317524014 1147719798 /nfs/dbraw/zinc/71/97/98/1147719798.db2.gz WSPZLZCTCOJHHJ-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCCC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001317526589 1147720207 /nfs/dbraw/zinc/72/02/07/1147720207.db2.gz HHXZTWZSADSPIA-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CCCCC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001317526589 1147720208 /nfs/dbraw/zinc/72/02/08/1147720208.db2.gz HHXZTWZSADSPIA-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)[C@H](C(=O)N(C)CC[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001317651953 1147739055 /nfs/dbraw/zinc/73/90/55/1147739055.db2.gz ARLGJXMHOQCYAK-QGZVFWFLSA-N 1 3 323.456 2.290 20 0 DEADHO C[C@@H](C[N@H+](C)CC1CC(C)(C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001367802082 1147749018 /nfs/dbraw/zinc/74/90/18/1147749018.db2.gz CZOLMPVSTOCFSX-AWEZNQCLSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](C[N@@H+](C)CC1CC(C)(C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001367802082 1147749019 /nfs/dbraw/zinc/74/90/19/1147749019.db2.gz CZOLMPVSTOCFSX-AWEZNQCLSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](CN(C)Cc1ccc(F)cc1)NC(=O)CCC[NH+](C)C ZINC001367826250 1147754203 /nfs/dbraw/zinc/75/42/03/1147754203.db2.gz IATLWNAGTGCSRT-AWEZNQCLSA-N 1 3 309.429 2.104 20 0 DEADHO C[C@H](C[N@H+](C)CCCC1CCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001367829016 1147754962 /nfs/dbraw/zinc/75/49/62/1147754962.db2.gz DKRGEJQHQLPPKE-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](C[N@@H+](C)CCCC1CCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001367829016 1147754964 /nfs/dbraw/zinc/75/49/64/1147754964.db2.gz DKRGEJQHQLPPKE-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1cc(F)ccc1CN(C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001367839290 1147757567 /nfs/dbraw/zinc/75/75/67/1147757567.db2.gz XTKDGMXYNZDJLB-AWEZNQCLSA-N 1 3 309.429 2.022 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)CCc1cccs1)N(C)C ZINC001367855975 1147761970 /nfs/dbraw/zinc/76/19/70/1147761970.db2.gz ZWLALXDHQAJWLK-HIFRSBDPSA-N 1 3 311.495 2.067 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CCc1cccs1)N(C)C ZINC001367855975 1147761972 /nfs/dbraw/zinc/76/19/72/1147761972.db2.gz ZWLALXDHQAJWLK-HIFRSBDPSA-N 1 3 311.495 2.067 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)CCC[NH+]1CCCC1 ZINC001367859952 1147762628 /nfs/dbraw/zinc/76/26/28/1147762628.db2.gz ISUIHXNRWNFHMX-QGZVFWFLSA-N 1 3 317.477 2.499 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+][C@@H](C)c2cccc(F)c2)CC1)N(C)C ZINC001368015064 1147829410 /nfs/dbraw/zinc/82/94/10/1147829410.db2.gz RCZTWSVVNHDWCL-XJKSGUPXSA-N 1 3 321.440 2.465 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@](C)(C[NH2+]CCC(F)(F)F)C1 ZINC001324834346 1147851365 /nfs/dbraw/zinc/85/13/65/1147851365.db2.gz RNMRCOWHHRYJQU-CQSZACIVSA-N 1 3 323.403 2.107 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NCCNC(=O)c1ccccc1C(F)(F)F ZINC001325745670 1147994074 /nfs/dbraw/zinc/99/40/74/1147994074.db2.gz ZSICNYALOIYNOJ-WDEREUQCSA-N 1 3 317.355 2.151 20 0 DEADHO CC/C=C/CC[NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001326368422 1148085556 /nfs/dbraw/zinc/08/55/56/1148085556.db2.gz ISEJKYQYMRPYNS-BWPKMQGJSA-N 1 3 304.438 2.137 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@]1(C)CCN(Cc2ccc(C)cc2)C1 ZINC001368167783 1148299770 /nfs/dbraw/zinc/29/97/70/1148299770.db2.gz CPKHHTGTUFHYMK-IBGZPJMESA-N 1 3 317.477 2.417 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@]1(C)CCN(Cc2ccc(C)cc2)C1 ZINC001368167783 1148299779 /nfs/dbraw/zinc/29/97/79/1148299779.db2.gz CPKHHTGTUFHYMK-IBGZPJMESA-N 1 3 317.477 2.417 20 0 DEADHO CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001368190879 1148317292 /nfs/dbraw/zinc/31/72/92/1148317292.db2.gz AUFGVWTZOSPEBE-DLBZAZTESA-N 1 3 313.461 2.047 20 0 DEADHO CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000624787357 365551356 /nfs/dbraw/zinc/55/13/56/365551356.db2.gz XXTMBVMDEULYEP-MRXNPFEDSA-N 1 3 322.497 2.129 20 0 DEADHO CN(C)CCOc1ccc(CC[NH2+]C[C@@H]2CCC=CO2)cc1 ZINC000278575081 214248858 /nfs/dbraw/zinc/24/88/58/214248858.db2.gz DJHXELPUEWOKOP-SFHVURJKSA-N 1 3 304.434 2.452 20 0 DEADHO COC[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)OC ZINC000278631620 214289738 /nfs/dbraw/zinc/28/97/38/214289738.db2.gz GYYUHHBOABTXMX-AKHDSKFASA-N 1 3 318.461 2.433 20 0 DEADHO COC[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)OC ZINC000278631620 214289740 /nfs/dbraw/zinc/28/97/40/214289740.db2.gz GYYUHHBOABTXMX-AKHDSKFASA-N 1 3 318.461 2.433 20 0 DEADHO O[C@H]1CCN(Cc2ccccc2C[NH2+]C[C@@H]2CCSC2)C1 ZINC000278686394 214325885 /nfs/dbraw/zinc/32/58/85/214325885.db2.gz IKODXHAKHQNUQQ-YOEHRIQHSA-N 1 3 306.475 2.096 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000417688167 529446127 /nfs/dbraw/zinc/44/61/27/529446127.db2.gz IOZUKSKZLOXIBV-HOCLYGCPSA-N 1 3 318.465 2.249 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCCN2CCCC(C)(C)C2)C1 ZINC000445106297 282193138 /nfs/dbraw/zinc/19/31/38/282193138.db2.gz FWOFATRUPVNECF-JKSUJKDBSA-N 1 3 324.513 2.280 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417846226 529608162 /nfs/dbraw/zinc/60/81/62/529608162.db2.gz YIFOSCNNVFGWJI-NZZOQPFGSA-N 1 3 315.461 2.286 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000417823557 529612911 /nfs/dbraw/zinc/61/29/11/529612911.db2.gz AECQMBRLQUPDLP-BHYGNILZSA-N 1 3 303.450 2.273 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000417823558 529613180 /nfs/dbraw/zinc/61/31/80/529613180.db2.gz AECQMBRLQUPDLP-DJIMGWMZSA-N 1 3 303.450 2.273 20 0 DEADHO CC[C@H](N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)[C@H]1CCCC[NH2+]1 ZINC000423106519 529672324 /nfs/dbraw/zinc/67/23/24/529672324.db2.gz ZXJSBJXIPFWXQD-LTIDMASMSA-N 1 3 307.482 2.288 20 0 DEADHO CN(C[C@@H]1CCCN1C)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000422605862 529949584 /nfs/dbraw/zinc/94/95/84/529949584.db2.gz HGICSNKHZCVQST-IRXDYDNUSA-N 1 3 318.465 2.202 20 0 DEADHO C[NH2+]C[C@H](C)CNC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000418391497 529995924 /nfs/dbraw/zinc/99/59/24/529995924.db2.gz PMDOKULFTOQRMO-HNNXBMFYSA-N 1 3 320.481 2.052 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H](O)Cc3ccc(F)cc3)CC[C@@H]21 ZINC000292691490 530058852 /nfs/dbraw/zinc/05/88/52/530058852.db2.gz CODFMEBDWWTFSO-NJAFHUGGSA-N 1 3 306.425 2.145 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C[C@@H](O)Cc3ccc(F)cc3)CC[C@@H]21 ZINC000292691490 530058853 /nfs/dbraw/zinc/05/88/53/530058853.db2.gz CODFMEBDWWTFSO-NJAFHUGGSA-N 1 3 306.425 2.145 20 0 DEADHO CN1CCC[C@@H]2C[N@H+](C[C@@H](O)Cc3ccc(F)cc3)CC[C@@H]21 ZINC000292691490 530058854 /nfs/dbraw/zinc/05/88/54/530058854.db2.gz CODFMEBDWWTFSO-NJAFHUGGSA-N 1 3 306.425 2.145 20 0 DEADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H](O)Cc3ccc(F)cc3)CC[C@@H]21 ZINC000292691490 530058855 /nfs/dbraw/zinc/05/88/55/530058855.db2.gz CODFMEBDWWTFSO-NJAFHUGGSA-N 1 3 306.425 2.145 20 0 DEADHO CN1CCC[C@H](CNC(=O)NCC(C)(C)[NH3+])[C@@H]1c1cccs1 ZINC000417741640 530061244 /nfs/dbraw/zinc/06/12/44/530061244.db2.gz UYKDUVVVSXPMCH-TZMCWYRMSA-N 1 3 324.494 2.168 20 0 DEADHO C[C@H](C(=O)NCCN(C)Cc1ccccc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000245202470 282383637 /nfs/dbraw/zinc/38/36/37/282383637.db2.gz SQMWGCVDLWAZKH-BRWVUGGUSA-N 1 3 317.477 2.496 20 0 DEADHO CN1CCN(CCCC[NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000154395028 539550209 /nfs/dbraw/zinc/55/02/09/539550209.db2.gz GPNFBTAMFJBKJE-SFHVURJKSA-N 1 3 305.441 2.430 20 0 DEADHO C[C@H](NC(=O)NC(C)(C)CC[NH3+])[C@H](c1ccccc1)N(C)C ZINC000422623445 299142225 /nfs/dbraw/zinc/14/22/25/299142225.db2.gz VQTHDXSGOQXNKS-DZGCQCFKSA-N 1 3 306.454 2.104 20 0 DEADHO CN(C)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000165945182 539608228 /nfs/dbraw/zinc/60/82/28/539608228.db2.gz QYOLTCKHPWMOGQ-QRVBRYPASA-N 1 3 301.478 2.376 20 0 DEADHO CN(C)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000165945182 539608231 /nfs/dbraw/zinc/60/82/31/539608231.db2.gz QYOLTCKHPWMOGQ-QRVBRYPASA-N 1 3 301.478 2.376 20 0 DEADHO CN(C)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000165945437 539608300 /nfs/dbraw/zinc/60/83/00/539608300.db2.gz QYOLTCKHPWMOGQ-OTWHNJEPSA-N 1 3 301.478 2.376 20 0 DEADHO CN(C)[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000165945437 539608305 /nfs/dbraw/zinc/60/83/05/539608305.db2.gz QYOLTCKHPWMOGQ-OTWHNJEPSA-N 1 3 301.478 2.376 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CC12CC[NH2+]CC2)N(C)Cc1ccccc1 ZINC000237461794 186293644 /nfs/dbraw/zinc/29/36/44/186293644.db2.gz QGTBHCPZDCFUGR-NVXWUHKLSA-N 1 3 315.461 2.013 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](NC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000275839801 539805486 /nfs/dbraw/zinc/80/54/86/539805486.db2.gz ZNGHOVHSICOPNQ-MSOLQXFVSA-N 1 3 315.461 2.285 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000617348079 363103305 /nfs/dbraw/zinc/10/33/05/363103305.db2.gz ZJRYYBFKJVHVRN-ZBFHGGJFSA-N 1 3 307.482 2.382 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000617348079 363103309 /nfs/dbraw/zinc/10/33/09/363103309.db2.gz ZJRYYBFKJVHVRN-ZBFHGGJFSA-N 1 3 307.482 2.382 20 0 DEADHO COc1ccc2ccccc2c1CN(C)CCN1CC[NH2+]CC1 ZINC000320732057 539897629 /nfs/dbraw/zinc/89/76/29/539897629.db2.gz NSTYKABIBQWHTQ-UHFFFAOYSA-N 1 3 313.445 2.185 20 0 DEADHO CC(C)N1CCC([NH2+][C@H](C)C(=O)NCc2cccs2)CC1 ZINC000173614660 198232555 /nfs/dbraw/zinc/23/25/55/198232555.db2.gz IFRWNNOSLPZJBS-CYBMUJFWSA-N 1 3 309.479 2.215 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277084353 213281722 /nfs/dbraw/zinc/28/17/22/213281722.db2.gz AUQLTTSHFRRGEW-KRWDZBQOSA-N 1 3 303.450 2.305 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](CN)c2ccc(F)cc2)C1 ZINC000358886092 283065153 /nfs/dbraw/zinc/06/51/53/283065153.db2.gz PYLPTBJQSAMHEJ-RHSMWYFYSA-N 1 3 321.440 2.058 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](CN)c2ccc(F)cc2)C1 ZINC000358886092 283065154 /nfs/dbraw/zinc/06/51/54/283065154.db2.gz PYLPTBJQSAMHEJ-RHSMWYFYSA-N 1 3 321.440 2.058 20 0 DEADHO C[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)C[NH+]1CCCCC1 ZINC000074225644 355015690 /nfs/dbraw/zinc/01/56/90/355015690.db2.gz QYWNXAUSFKKVHR-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)N1CCCN(C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000076050677 355121487 /nfs/dbraw/zinc/12/14/87/355121487.db2.gz JRSNCUPZJIEIHI-UHFFFAOYSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H]([NH3+])CCC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000382699426 540123640 /nfs/dbraw/zinc/12/36/40/540123640.db2.gz LMUXFPTXZCFVFS-JKSUJKDBSA-N 1 3 303.450 2.237 20 0 DEADHO CC(C)CN(CCN(C)C)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000079198533 355300771 /nfs/dbraw/zinc/30/07/71/355300771.db2.gz OFIUNXKQRXUSHC-UHFFFAOYSA-N 1 3 312.502 2.090 20 0 DEADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC000081126915 355408615 /nfs/dbraw/zinc/40/86/15/355408615.db2.gz HZYIWRFPMLMDQM-GOSISDBHSA-N 1 3 317.477 2.451 20 0 DEADHO O=C(NCCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000089585020 355536410 /nfs/dbraw/zinc/53/64/10/355536410.db2.gz FCWDWQCCAIZYLD-DLBZAZTESA-N 1 3 319.424 2.162 20 0 DEADHO O=C(NCCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000089585020 355536412 /nfs/dbraw/zinc/53/64/12/355536412.db2.gz FCWDWQCCAIZYLD-DLBZAZTESA-N 1 3 319.424 2.162 20 0 DEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCOc1ccc(C(F)(F)F)cn1 ZINC000090409638 355561497 /nfs/dbraw/zinc/56/14/97/355561497.db2.gz NUVFCNFBTXFGHT-YPMHNXCESA-N 1 3 317.355 2.409 20 0 DEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCOc1ccc(C(F)(F)F)cn1 ZINC000090409638 355561499 /nfs/dbraw/zinc/56/14/99/355561499.db2.gz NUVFCNFBTXFGHT-YPMHNXCESA-N 1 3 317.355 2.409 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1)N(C)Cc1ccccc1 ZINC000417591724 540167428 /nfs/dbraw/zinc/16/74/28/540167428.db2.gz SLHMGVFILOAOCV-OIISXLGYSA-N 1 3 318.465 2.076 20 0 DEADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(F)cn2)CC1 ZINC000092746059 355648909 /nfs/dbraw/zinc/64/89/09/355648909.db2.gz BMHVGYAEDLGZQY-CABCVRRESA-N 1 3 308.445 2.145 20 0 DEADHO CN1CCN(CC[NH2+][C@@H]2CCc3ccc(F)cc32)CC1(C)C ZINC000442875326 540183557 /nfs/dbraw/zinc/18/35/57/540183557.db2.gz NYVACWXDZNRUEA-QGZVFWFLSA-N 1 3 305.441 2.429 20 0 DEADHO C[C@@H](NCCCCC[NH2+][C@H](C)c1ccn(C)n1)c1ccn(C)n1 ZINC000459783000 540209811 /nfs/dbraw/zinc/20/98/11/540209811.db2.gz HWMBWNULLHLUEZ-HUUCEWRRSA-N 1 3 318.469 2.325 20 0 DEADHO CC[C@@H](N)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000130496588 355843152 /nfs/dbraw/zinc/84/31/52/355843152.db2.gz QRRWXWAACIJVDL-DJIMGWMZSA-N 1 3 303.450 2.235 20 0 DEADHO CC[C@@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000130496588 355843156 /nfs/dbraw/zinc/84/31/56/355843156.db2.gz QRRWXWAACIJVDL-DJIMGWMZSA-N 1 3 303.450 2.235 20 0 DEADHO CC(C)(N)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000370763288 283131260 /nfs/dbraw/zinc/13/12/60/283131260.db2.gz IFNLCPYUPWUVOI-IBGZPJMESA-N 1 3 315.461 2.238 20 0 DEADHO CC(C)(N)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000370763288 283131263 /nfs/dbraw/zinc/13/12/63/283131263.db2.gz IFNLCPYUPWUVOI-IBGZPJMESA-N 1 3 315.461 2.238 20 0 DEADHO CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC000321083011 356448885 /nfs/dbraw/zinc/44/88/85/356448885.db2.gz FAWKYYAVZHGANG-GOSISDBHSA-N 1 3 315.461 2.206 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1ccsc1 ZINC000236881293 202050257 /nfs/dbraw/zinc/05/02/57/202050257.db2.gz SYRSVEGZUFBQIN-BPLDGKMQSA-N 1 3 309.479 2.375 20 0 DEADHO CCC[C@@H](N)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000236936055 202081252 /nfs/dbraw/zinc/08/12/52/202081252.db2.gz IMKLYKNXKMRTTI-RHSMWYFYSA-N 1 3 303.450 2.456 20 0 DEADHO C[NH+](C)Cc1cccc(CNC(=O)[C@@H](CN)c2ccccc2)c1 ZINC000237057123 202138526 /nfs/dbraw/zinc/13/85/26/202138526.db2.gz BUPLKZNEQUISLH-SFHVURJKSA-N 1 3 311.429 2.107 20 0 DEADHO C[C@H](CNC(=O)CC[C@@H]1CCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000390755760 356709999 /nfs/dbraw/zinc/70/99/99/356709999.db2.gz VSMTWPBBGWFADY-SJORKVTESA-N 1 3 317.477 2.403 20 0 DEADHO C[NH2+]CCCC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000237143907 202166207 /nfs/dbraw/zinc/16/62/07/202166207.db2.gz WIIJYDGAYVCMCE-MRXNPFEDSA-N 1 3 303.450 2.109 20 0 DEADHO C[NH+](C)[C@@H](CNC(=O)[C@H](N)Cc1ccccc1)C1CCCCC1 ZINC000237146646 202167379 /nfs/dbraw/zinc/16/73/79/202167379.db2.gz VTTRWUGPSPLLRS-MSOLQXFVSA-N 1 3 317.477 2.183 20 0 DEADHO c1ccc(NCCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000578348224 356802334 /nfs/dbraw/zinc/80/23/34/356802334.db2.gz ZFOBCSIQFQBINN-QFBILLFUSA-N 1 3 324.428 2.339 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@H]2CC23CC[NH2+]CC3)N(C)C)cc1 ZINC000237199287 202186791 /nfs/dbraw/zinc/18/67/91/202186791.db2.gz QDRVCFIGAKEISI-IAGOWNOFSA-N 1 3 315.461 2.104 20 0 DEADHO C[NH2+]CCCC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000237237039 202199760 /nfs/dbraw/zinc/19/97/60/202199760.db2.gz VQOZDBPUNCYAGD-UHFFFAOYSA-N 1 3 321.490 2.216 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000578984899 356902274 /nfs/dbraw/zinc/90/22/74/356902274.db2.gz NCZKJNDLYWNTSG-BFHYXJOUSA-N 1 3 324.494 2.310 20 0 DEADHO CN1CCC(Oc2ccc(C[NH2+]CC3(O)CCC3)cc2)CC1 ZINC000579584244 356998420 /nfs/dbraw/zinc/99/84/20/356998420.db2.gz OCUWOXKCXRRPEM-UHFFFAOYSA-N 1 3 304.434 2.164 20 0 DEADHO CN[C@@H](C)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000579258427 356949546 /nfs/dbraw/zinc/94/95/46/356949546.db2.gz MQLWQODPIQYXCF-CABCVRRESA-N 1 3 303.450 2.374 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(CC)CC3)CC2)CC1 ZINC000580844514 357090071 /nfs/dbraw/zinc/09/00/71/357090071.db2.gz QGEBIANAGAQMFT-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO CN(CCC[NH+]1CCCC1)C(=O)Nc1cccc2c1CCNC2 ZINC000581298665 357162712 /nfs/dbraw/zinc/16/27/12/357162712.db2.gz JELJODJMXXRYKF-UHFFFAOYSA-N 1 3 316.449 2.282 20 0 DEADHO CNC[C@@](C)(O)C[N@H+](C)CCCOc1cccc(Cl)c1 ZINC000581374845 357177422 /nfs/dbraw/zinc/17/74/22/357177422.db2.gz DPEUQKRDQQQCET-OAHLLOKOSA-N 1 3 300.830 2.011 20 0 DEADHO CNC[C@@](C)(O)C[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC000581374845 357177425 /nfs/dbraw/zinc/17/74/25/357177425.db2.gz DPEUQKRDQQQCET-OAHLLOKOSA-N 1 3 300.830 2.011 20 0 DEADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000655974232 540297832 /nfs/dbraw/zinc/29/78/32/540297832.db2.gz ODVQJVDKKOJASB-BZUAXINKSA-N 1 3 310.486 2.018 20 0 DEADHO CNC(=O)CCN(C)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000179411218 199031018 /nfs/dbraw/zinc/03/10/18/199031018.db2.gz CZVGIKHCFMCQNO-UHFFFAOYSA-N 1 3 305.466 2.213 20 0 DEADHO CNC(=O)CCN(C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000179411218 199031019 /nfs/dbraw/zinc/03/10/19/199031019.db2.gz CZVGIKHCFMCQNO-UHFFFAOYSA-N 1 3 305.466 2.213 20 0 DEADHO CCCN(C(=O)C[C@H]1NCc2ccccc21)C1CC[NH2+]CC1 ZINC000662548639 540331041 /nfs/dbraw/zinc/33/10/41/540331041.db2.gz RRWXEHDMTZQKFJ-QGZVFWFLSA-N 1 3 301.434 2.212 20 0 DEADHO CC(C)NCC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000662824184 540335051 /nfs/dbraw/zinc/33/50/51/540335051.db2.gz BAMWSUYHDCVNBF-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)NCC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000662824184 540335053 /nfs/dbraw/zinc/33/50/53/540335053.db2.gz BAMWSUYHDCVNBF-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CCN(C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)[C@H]1CCN(CC)C1 ZINC000664395651 540344999 /nfs/dbraw/zinc/34/49/99/540344999.db2.gz HVAJETCVNAVTOQ-SJORKVTESA-N 1 3 324.513 2.090 20 0 DEADHO CCN(C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1)[C@H]1CCN(CC)C1 ZINC000664395651 540345002 /nfs/dbraw/zinc/34/50/02/540345002.db2.gz HVAJETCVNAVTOQ-SJORKVTESA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H](F)CN2)CCN1Cc1ccccc1 ZINC000666946922 540368222 /nfs/dbraw/zinc/36/82/22/540368222.db2.gz SUHXXXWSSVVCJQ-DKIMLUQUSA-N 1 3 305.441 2.329 20 0 DEADHO Fc1ccc(-n2nccc2CN[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000666955537 540370157 /nfs/dbraw/zinc/37/01/57/540370157.db2.gz YBEODIRRTHOLNL-INIZCTEOSA-N 1 3 300.381 2.243 20 0 DEADHO CN(C)CCOc1ccc(CN[C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000666998405 540377909 /nfs/dbraw/zinc/37/79/09/540377909.db2.gz RRXOJIPAROXSKU-KRWDZBQOSA-N 1 3 317.477 2.391 20 0 DEADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccnc1 ZINC000180644549 199189557 /nfs/dbraw/zinc/18/95/57/199189557.db2.gz ZUYCWYSIYBXLOQ-KXBFYZLASA-N 1 3 311.429 2.499 20 0 DEADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccnc1 ZINC000180644549 199189559 /nfs/dbraw/zinc/18/95/59/199189559.db2.gz ZUYCWYSIYBXLOQ-KXBFYZLASA-N 1 3 311.429 2.499 20 0 DEADHO COC(=O)c1cc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cs1 ZINC000595895291 358573984 /nfs/dbraw/zinc/57/39/84/358573984.db2.gz HXLYBTFQZHPBQK-KGLIPLIRSA-N 1 3 308.447 2.356 20 0 DEADHO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)CN2[C@H](C)CC[C@@H]2C)C[C@@H](C)C1 ZINC000346230222 291156535 /nfs/dbraw/zinc/15/65/35/291156535.db2.gz MGHVYCGWFVISIE-SMLCLMEVSA-N 1 3 307.482 2.048 20 0 DEADHO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)CN2[C@H](C)CC[C@@H]2C)C[C@@H](C)C1 ZINC000346230222 291156537 /nfs/dbraw/zinc/15/65/37/291156537.db2.gz MGHVYCGWFVISIE-SMLCLMEVSA-N 1 3 307.482 2.048 20 0 DEADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccsc1 ZINC000414199189 299283603 /nfs/dbraw/zinc/28/36/03/299283603.db2.gz QXVAAEREWHGRMN-HNNXBMFYSA-N 1 3 323.506 2.195 20 0 DEADHO C[C@H](NCC1(c2ccc3c(c2)OCCO3)CCCC1)C1C[NH2+]C1 ZINC000422797201 299286222 /nfs/dbraw/zinc/28/62/22/299286222.db2.gz LMCSMFGQBYDVRP-AWEZNQCLSA-N 1 3 316.445 2.467 20 0 DEADHO C[C@H]([NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1)C1CNC1 ZINC000422797201 299286225 /nfs/dbraw/zinc/28/62/25/299286225.db2.gz LMCSMFGQBYDVRP-AWEZNQCLSA-N 1 3 316.445 2.467 20 0 DEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)Nc1cccc(C[NH3+])c1 ZINC000667735038 540517319 /nfs/dbraw/zinc/51/73/19/540517319.db2.gz FXENEPDGWQYBAU-OAHLLOKOSA-N 1 3 304.438 2.387 20 0 DEADHO CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000667742361 540518529 /nfs/dbraw/zinc/51/85/29/540518529.db2.gz YNKUBXZGMGVXEG-KRWDZBQOSA-N 1 3 316.449 2.327 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2cccc3c2CCNC3)C1 ZINC000667753104 540521045 /nfs/dbraw/zinc/52/10/45/540521045.db2.gz HUZTXANYYDHZGZ-OAHLLOKOSA-N 1 3 316.449 2.327 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000667811590 540532531 /nfs/dbraw/zinc/53/25/31/540532531.db2.gz PYCDRIKDKCIWJX-TVFCKZIOSA-N 1 3 321.509 2.297 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000667811590 540532533 /nfs/dbraw/zinc/53/25/33/540532533.db2.gz PYCDRIKDKCIWJX-TVFCKZIOSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000187466984 200116331 /nfs/dbraw/zinc/11/63/31/200116331.db2.gz SJMAFCUIIDIYRO-GOSISDBHSA-N 1 3 317.477 2.353 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000187466984 200116333 /nfs/dbraw/zinc/11/63/33/200116333.db2.gz SJMAFCUIIDIYRO-GOSISDBHSA-N 1 3 317.477 2.353 20 0 DEADHO CN1CC[C@]2(CC[N@H+](Cc3ccc(O[C@@H]4CCOC4)cc3)C2)C1 ZINC000668188805 540610659 /nfs/dbraw/zinc/61/06/59/540610659.db2.gz PEKDFTXYVJSHMU-MOPGFXCFSA-N 1 3 316.445 2.382 20 0 DEADHO CN1CC[C@]2(CC[N@@H+](Cc3ccc(O[C@@H]4CCOC4)cc3)C2)C1 ZINC000668188805 540610662 /nfs/dbraw/zinc/61/06/62/540610662.db2.gz PEKDFTXYVJSHMU-MOPGFXCFSA-N 1 3 316.445 2.382 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCCC[NH2+]2)CCN1Cc1ccccc1 ZINC000237591069 202294330 /nfs/dbraw/zinc/29/43/30/202294330.db2.gz ZZCJTBQENXFEKV-KBAYOESNSA-N 1 3 315.461 2.298 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)C1 ZINC000601244528 359979987 /nfs/dbraw/zinc/97/99/87/359979987.db2.gz TVYZSYMMWUJBTN-IXDOHACOSA-N 1 3 324.513 2.279 20 0 DEADHO COC(=O)c1ccc(CNCCCC[N@@H+]2CCC[C@@H](C)C2)n1C ZINC000602004078 360232740 /nfs/dbraw/zinc/23/27/40/360232740.db2.gz KSMQZQLIMCPVPF-OAHLLOKOSA-N 1 3 321.465 2.413 20 0 DEADHO COC(=O)c1ccc(CNCCCC[N@H+]2CCC[C@@H](C)C2)n1C ZINC000602004078 360232744 /nfs/dbraw/zinc/23/27/44/360232744.db2.gz KSMQZQLIMCPVPF-OAHLLOKOSA-N 1 3 321.465 2.413 20 0 DEADHO C[NH+]1CCC(N2CC[C@H](Nc3ncnc4sccc43)C2)CC1 ZINC000602614171 360457419 /nfs/dbraw/zinc/45/74/19/360457419.db2.gz YYLRMSMVMJCZRZ-LBPRGKRZSA-N 1 3 317.462 2.272 20 0 DEADHO c1cc(OCC[NH+]2CCCC2)ccc1CN1CCC2(COC2)C1 ZINC000668720290 540717404 /nfs/dbraw/zinc/71/74/04/540717404.db2.gz PQWORFIBSDCDSS-UHFFFAOYSA-N 1 3 316.445 2.384 20 0 DEADHO C[NH+](C)CCC[C@H]1CN(CC2Cc3ccccc3C2)CCO1 ZINC000668785175 540729404 /nfs/dbraw/zinc/72/94/04/540729404.db2.gz MWDMSTCKOKLFNE-IBGZPJMESA-N 1 3 302.462 2.444 20 0 DEADHO [NH3+]C/C=C\CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669483788 540841812 /nfs/dbraw/zinc/84/18/12/540841812.db2.gz MYQHNGKZPRNZTG-OSJSJHBBSA-N 1 3 316.449 2.028 20 0 DEADHO CC(C)(C[NH3+])NC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669483594 540842144 /nfs/dbraw/zinc/84/21/44/540842144.db2.gz CBTJJRHRVGXJDI-MRXNPFEDSA-N 1 3 318.465 2.250 20 0 DEADHO C[C@H](CC[NH3+])NC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669483726 540842175 /nfs/dbraw/zinc/84/21/75/540842175.db2.gz KALZCEZDNDRXPJ-NVXWUHKLSA-N 1 3 318.465 2.250 20 0 DEADHO CC[NH+](CC)CCOCCN(Cc1ccccc1)C[C@H](C)O ZINC000281458004 216313829 /nfs/dbraw/zinc/31/38/29/216313829.db2.gz VBRISFBGEBCOBK-KRWDZBQOSA-N 1 3 308.466 2.228 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@H](CC)C[NH+]1CCCC1 ZINC000672942717 541076868 /nfs/dbraw/zinc/07/68/68/541076868.db2.gz NTHYPJOBJKBKAC-QGZVFWFLSA-N 1 3 324.513 2.378 20 0 DEADHO COc1cc(C[NH2+]C2CCN(CCN(C)C)CC2)ccc1C ZINC000194200510 201197742 /nfs/dbraw/zinc/19/77/42/201197742.db2.gz AHIWUHTZNLQSJU-UHFFFAOYSA-N 1 3 305.466 2.119 20 0 DEADHO CCCN1CCC[C@H]1CNC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000673177821 541092555 /nfs/dbraw/zinc/09/25/55/541092555.db2.gz XVWUDUPNAQKVFG-HOTGVXAUSA-N 1 3 310.486 2.033 20 0 DEADHO O=C(N[C@@H]1CCN(CC2CC2)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000673962849 541167331 /nfs/dbraw/zinc/16/73/31/541167331.db2.gz NEIVKBKMHXJSKM-IAGOWNOFSA-N 1 3 319.493 2.242 20 0 DEADHO O=C(N[C@@H]1CCN(CC2CC2)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000673962849 541167332 /nfs/dbraw/zinc/16/73/32/541167332.db2.gz NEIVKBKMHXJSKM-IAGOWNOFSA-N 1 3 319.493 2.242 20 0 DEADHO CN(C)[C@H](CNC(=O)C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000195270882 201371049 /nfs/dbraw/zinc/37/10/49/201371049.db2.gz NLSMHCZKXKYGHG-GOSISDBHSA-N 1 3 315.461 2.280 20 0 DEADHO CCCN1CC[C@H](NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000619904560 363902020 /nfs/dbraw/zinc/90/20/20/363902020.db2.gz NRHNTVRWNGRLST-ROUUACIJSA-N 1 3 315.461 2.109 20 0 DEADHO CCCN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000619904560 363902028 /nfs/dbraw/zinc/90/20/28/363902028.db2.gz NRHNTVRWNGRLST-ROUUACIJSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)N1CCCCCC1 ZINC000621105465 364258063 /nfs/dbraw/zinc/25/80/63/364258063.db2.gz RWNQHTIROBRSOD-AEFFLSMTSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)N1CCCCCC1 ZINC000621105465 364258069 /nfs/dbraw/zinc/25/80/69/364258069.db2.gz RWNQHTIROBRSOD-AEFFLSMTSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)[C@H]1CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CCN1 ZINC000621151122 364279864 /nfs/dbraw/zinc/27/98/64/364279864.db2.gz UCPHTQAFNCYWHB-GOSISDBHSA-N 1 3 315.461 2.352 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]CC2=CCN(C)CC2)cc1 ZINC000271818904 209242481 /nfs/dbraw/zinc/24/24/81/209242481.db2.gz BYNWLEGHSWDBJM-AWEZNQCLSA-N 1 3 317.433 2.264 20 0 DEADHO C[C@@H](NC(=O)Nc1cccc(CN(C)C)c1)[C@H]1CCC[NH2+]C1 ZINC000623055315 364870184 /nfs/dbraw/zinc/87/01/84/364870184.db2.gz PBTYLXFQJJXIGU-HIFRSBDPSA-N 1 3 304.438 2.258 20 0 DEADHO COc1cc(F)cc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)c1 ZINC000449196370 240178498 /nfs/dbraw/zinc/17/84/98/240178498.db2.gz YEHMKEPJOYCRTH-ZWKOTPCHSA-N 1 3 322.424 2.302 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000449330567 240386016 /nfs/dbraw/zinc/38/60/16/240386016.db2.gz UVSAPDKJZDPHTF-HOTGVXAUSA-N 1 3 309.498 2.474 20 0 DEADHO Cn1cc(C[NH2+]C[C@@H]2CCCCN(C)C2)c(-c2ccncc2)n1 ZINC000623656291 365119751 /nfs/dbraw/zinc/11/97/51/365119751.db2.gz RGOPPPMHOHZGOL-HNNXBMFYSA-N 1 3 313.449 2.304 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000676697448 541483036 /nfs/dbraw/zinc/48/30/36/541483036.db2.gz WZWWNXRRJNSLKY-NVXWUHKLSA-N 1 3 307.482 2.382 20 0 DEADHO c1c(CN[C@@H]2CCCC23CCCCC3)nnn1[C@H]1CC[NH2+]C1 ZINC000629551681 367246312 /nfs/dbraw/zinc/24/63/12/367246312.db2.gz WPVPFSJVELCMHY-JKSUJKDBSA-N 1 3 303.454 2.405 20 0 DEADHO C[C@@H](C[NH2+]C[C@@H](O)CN1CCCC1)Oc1ccc(Cl)cc1 ZINC000629563077 367253001 /nfs/dbraw/zinc/25/30/01/367253001.db2.gz DUGJWTIEEAOOHM-DZGCQCFKSA-N 1 3 312.841 2.154 20 0 DEADHO C[C@@H](C[NH2+]C[C@H](O)CN1CCCC1)Oc1ccccc1Cl ZINC000629565930 367254813 /nfs/dbraw/zinc/25/48/13/367254813.db2.gz QUIAEAFGPXLGCH-KBPBESRZSA-N 1 3 312.841 2.154 20 0 DEADHO O[C@@H](C[NH2+]CC1(c2c(F)cccc2F)CCC1)CN1CCCC1 ZINC000629579180 367257794 /nfs/dbraw/zinc/25/77/94/367257794.db2.gz BEPMQIUFBKNYEH-AWEZNQCLSA-N 1 3 324.415 2.433 20 0 DEADHO CCc1ccc([C@H](CNC(=O)CN(C)C2CCC2)[NH+](C)C)cc1 ZINC000629943444 367387856 /nfs/dbraw/zinc/38/78/56/367387856.db2.gz LBNFWIRMPHLRMD-SFHVURJKSA-N 1 3 317.477 2.452 20 0 DEADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000629981100 367417898 /nfs/dbraw/zinc/41/78/98/367417898.db2.gz MVDYJWHVLQOZGG-RDTXWAMCSA-N 1 3 303.450 2.278 20 0 DEADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCN(C2CCCCC2)CC1 ZINC000423716965 291405604 /nfs/dbraw/zinc/40/56/04/291405604.db2.gz YUCAVLCBZKJZGT-AEFFLSMTSA-N 1 3 307.482 2.371 20 0 DEADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccccc2-n2cncn2)[C@@H](C)C1 ZINC000678278075 541705827 /nfs/dbraw/zinc/70/58/27/541705827.db2.gz SYTIOBMYQVQWPT-DOTOQJQBSA-N 1 3 313.449 2.429 20 0 DEADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccccc2-n2cncn2)[C@@H](C)C1 ZINC000678278075 541705832 /nfs/dbraw/zinc/70/58/32/541705832.db2.gz SYTIOBMYQVQWPT-DOTOQJQBSA-N 1 3 313.449 2.429 20 0 DEADHO C[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)[C@H](N)c1ccccc1 ZINC000261647816 203088063 /nfs/dbraw/zinc/08/80/63/203088063.db2.gz GBWGTGRCXOPPSP-FZDIXFNVSA-N 1 3 323.440 2.276 20 0 DEADHO CN(C)CCOc1ccc(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000261666308 203091083 /nfs/dbraw/zinc/09/10/83/203091083.db2.gz FPLQONKRSDJHKG-XJKSGUPXSA-N 1 3 305.422 2.083 20 0 DEADHO CC(C)[NH+]1CCC(N(C)C(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000261766614 203112892 /nfs/dbraw/zinc/11/28/92/203112892.db2.gz VLSHBKIFJVRFLJ-QGZVFWFLSA-N 1 3 303.450 2.408 20 0 DEADHO Cc1ccc([C@H](CNC(=O)CC[C@@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000261736248 203104941 /nfs/dbraw/zinc/10/49/41/203104941.db2.gz GGXCXYBZTJCQLK-WBVHZDCISA-N 1 3 303.450 2.104 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)CC[C@H]2CC[NH2+]C2)cc1 ZINC000261798735 203119577 /nfs/dbraw/zinc/11/95/77/203119577.db2.gz DVBFHWKBOPWYOF-WMLDXEAASA-N 1 3 303.450 2.316 20 0 DEADHO C[C@@H](C[NH3+])C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000262422698 203290724 /nfs/dbraw/zinc/29/07/24/203290724.db2.gz SAMSWPKLCFZBBJ-KBPBESRZSA-N 1 3 309.479 2.232 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000262557038 203328621 /nfs/dbraw/zinc/32/86/21/203328621.db2.gz ZLTAXISSDDBZTN-BRWVUGGUSA-N 1 3 303.450 2.444 20 0 DEADHO CCC[C@@H](N)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000262640819 203362363 /nfs/dbraw/zinc/36/23/63/203362363.db2.gz KOKQMAHHOABVHB-CQSZACIVSA-N 1 3 304.438 2.259 20 0 DEADHO C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000264777408 204148172 /nfs/dbraw/zinc/14/81/72/204148172.db2.gz ORYPVLOZHHSLHP-HZPDHXFCSA-N 1 3 320.481 2.146 20 0 DEADHO CCNC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274894748 212016496 /nfs/dbraw/zinc/01/64/96/212016496.db2.gz KBVNEJHLBQCUES-HLLBOEOZSA-N 1 3 303.450 2.011 20 0 DEADHO C[C@H](C(=O)NC[C@@H]1CCN1C1CCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000530024319 284319303 /nfs/dbraw/zinc/31/93/03/284319303.db2.gz LHJFDCSWLUTTDO-DLTWYDFYSA-N 1 3 307.482 2.381 20 0 DEADHO C[C@H](C(=O)NC[C@@H]1CCN1C1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000530024319 284319306 /nfs/dbraw/zinc/31/93/06/284319306.db2.gz LHJFDCSWLUTTDO-DLTWYDFYSA-N 1 3 307.482 2.381 20 0 DEADHO FC(F)(F)CCN1CCC(N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000530179894 284361570 /nfs/dbraw/zinc/36/15/70/284361570.db2.gz YPDBFNQILWWRMR-CYBMUJFWSA-N 1 3 305.388 2.277 20 0 DEADHO CC[C@H](Cc1ccccc1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000531357606 284549838 /nfs/dbraw/zinc/54/98/38/284549838.db2.gz IFHYQBPILIVCIM-GOSISDBHSA-N 1 3 319.493 2.207 20 0 DEADHO C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000681081944 542093885 /nfs/dbraw/zinc/09/38/85/542093885.db2.gz JAVGUUQBMYQHHA-WBVHZDCISA-N 1 3 306.450 2.220 20 0 DEADHO C[C@@H](O)[C@H]1CCC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000681081944 542093889 /nfs/dbraw/zinc/09/38/89/542093889.db2.gz JAVGUUQBMYQHHA-WBVHZDCISA-N 1 3 306.450 2.220 20 0 DEADHO Cc1cc(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)ccc1OCCN(C)C ZINC000458192764 248194491 /nfs/dbraw/zinc/19/44/91/248194491.db2.gz BXCLJGAEVXZJFT-ZBFHGGJFSA-N 1 3 319.449 2.072 20 0 DEADHO Cc1cc(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)ccc1OCCN(C)C ZINC000458192764 248194495 /nfs/dbraw/zinc/19/44/95/248194495.db2.gz BXCLJGAEVXZJFT-ZBFHGGJFSA-N 1 3 319.449 2.072 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NCCCCC[NH+]1CCCC1 ZINC000458433372 248306247 /nfs/dbraw/zinc/30/62/47/248306247.db2.gz HTCLZUPBENUWFX-MRXNPFEDSA-N 1 3 310.486 2.036 20 0 DEADHO CN(C)CC(C)(C)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000458488636 248336891 /nfs/dbraw/zinc/33/68/91/248336891.db2.gz LBYYZFWXIPFOAR-UHFFFAOYSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H](C[NH2+]C1CCN(c2cnccn2)CC1)CN1CCCCC1 ZINC000531938767 284631439 /nfs/dbraw/zinc/63/14/39/284631439.db2.gz OHUWOQKDQJVRSJ-INIZCTEOSA-N 1 3 317.481 2.157 20 0 DEADHO C[C@@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)N(C)C1CC1 ZINC000105128126 194075673 /nfs/dbraw/zinc/07/56/73/194075673.db2.gz ABJCRFVARLJHEM-HNNXBMFYSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)N(C)C1CC1 ZINC000105128126 194075677 /nfs/dbraw/zinc/07/56/77/194075677.db2.gz ABJCRFVARLJHEM-HNNXBMFYSA-N 1 3 324.513 2.423 20 0 DEADHO OCC1(NCc2cccc(C[NH+]3CCCCC3)c2)CCOCC1 ZINC000411227263 227365273 /nfs/dbraw/zinc/36/52/73/227365273.db2.gz QEIQQXRIDBBDJB-UHFFFAOYSA-N 1 3 318.461 2.304 20 0 DEADHO OCC1([NH2+]Cc2cccc(CN3CCCCC3)c2)CCOCC1 ZINC000411227263 227365279 /nfs/dbraw/zinc/36/52/79/227365279.db2.gz QEIQQXRIDBBDJB-UHFFFAOYSA-N 1 3 318.461 2.304 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H](C)C[NH2+]C)c1cccc(OC)c1 ZINC000163966967 284819515 /nfs/dbraw/zinc/81/95/15/284819515.db2.gz BQFYHIIDMUTXBB-WMLDXEAASA-N 1 3 321.465 2.050 20 0 DEADHO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000268838882 207003165 /nfs/dbraw/zinc/00/31/65/207003165.db2.gz CDIWRVUSHBVQPL-GJZGRUSLSA-N 1 3 306.450 2.156 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C[C@@H](O)CN(C)C2CC2)C1 ZINC000336875509 296314104 /nfs/dbraw/zinc/31/41/04/296314104.db2.gz IABPKFAZWAUNFE-AOIWGVFYSA-N 1 3 323.525 2.028 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C[C@@H](O)CN(C)C2CC2)C1 ZINC000336875509 296314105 /nfs/dbraw/zinc/31/41/05/296314105.db2.gz IABPKFAZWAUNFE-AOIWGVFYSA-N 1 3 323.525 2.028 20 0 DEADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1(O)CCN(C)CC1 ZINC000268980454 207141007 /nfs/dbraw/zinc/14/10/07/207141007.db2.gz KKXQRIXAQYOQFW-KRWDZBQOSA-N 1 3 304.434 2.119 20 0 DEADHO C[C@@H](CC[NH+](C)C)N[C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000269002699 207159237 /nfs/dbraw/zinc/15/92/37/207159237.db2.gz LYUKTOAUCMVHJT-RYUDHWBXSA-N 1 3 312.845 2.382 20 0 DEADHO CC[NH+](CC)CCNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000065467394 184350335 /nfs/dbraw/zinc/35/03/35/184350335.db2.gz HFHBDLYTVGAHMW-QGZVFWFLSA-N 1 3 320.481 2.239 20 0 DEADHO CSc1nnc(CCCN[C@H]2CCC[C@H]2[NH3+])n1CC(C)C ZINC000422730350 533086462 /nfs/dbraw/zinc/08/64/62/533086462.db2.gz MCLYVDODALJRSB-OLZOCXBDSA-N 1 3 311.499 2.058 20 0 DEADHO CCCN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC000158280758 197259150 /nfs/dbraw/zinc/25/91/50/197259150.db2.gz ILPUPOJZVRVXFN-QGZVFWFLSA-N 1 3 303.450 2.280 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)CC[NH2+]C(C)C)N(C)C)cc1 ZINC000558166334 291884133 /nfs/dbraw/zinc/88/41/33/291884133.db2.gz MBKWQWYVPNZIKZ-QGZVFWFLSA-N 1 3 305.466 2.356 20 0 DEADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)[C@H](C)C2CCN(C)CC2)C1 ZINC000542713532 285244953 /nfs/dbraw/zinc/24/49/53/285244953.db2.gz XIGNZBDOYINYTJ-CVEARBPZSA-N 1 3 324.513 2.090 20 0 DEADHO CCC[N@H+]1CC[C@@H](CNC(=O)N(C)[C@H](C)C2CCN(C)CC2)C1 ZINC000542713532 285244956 /nfs/dbraw/zinc/24/49/56/285244956.db2.gz XIGNZBDOYINYTJ-CVEARBPZSA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1C[C@]1(C)CC ZINC000342574952 285248341 /nfs/dbraw/zinc/24/83/41/285248341.db2.gz QYXOMIBVEUFGMJ-NUJGCVRESA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1C[C@]1(C)CC ZINC000342574952 285248343 /nfs/dbraw/zinc/24/83/43/285248343.db2.gz QYXOMIBVEUFGMJ-NUJGCVRESA-N 1 3 309.498 2.297 20 0 DEADHO C[C@@H](NC(=O)NC[C@@H]1N(C)CCCC1(C)C)C1CC[NH+](C)CC1 ZINC000684117403 542553845 /nfs/dbraw/zinc/55/38/45/542553845.db2.gz OCQBNESPQJIDPS-ZBFHGGJFSA-N 1 3 324.513 2.136 20 0 DEADHO COC[C@H](NCc1ccncc1OCC[NH+](C)C)C1CCCC1 ZINC000344002422 285405531 /nfs/dbraw/zinc/40/55/31/285405531.db2.gz XOOGXRBCGGEZIH-KRWDZBQOSA-N 1 3 321.465 2.317 20 0 DEADHO COc1ccc(C2(C[NH2+][C@H](C)C[C@@H](C)N)CCOCC2)cc1 ZINC000422901566 533426356 /nfs/dbraw/zinc/42/63/56/533426356.db2.gz SCFSIIBSNDHNBS-HUUCEWRRSA-N 1 3 306.450 2.459 20 0 DEADHO COc1ccc(C2(CN[C@H](C)C[C@@H](C)[NH3+])CCOCC2)cc1 ZINC000422901566 533426361 /nfs/dbraw/zinc/42/63/61/533426361.db2.gz SCFSIIBSNDHNBS-HUUCEWRRSA-N 1 3 306.450 2.459 20 0 DEADHO COc1ccc(CCN[C@@H]2CCC[C@H]2[NH3+])cc1OC(F)F ZINC000422883033 533498703 /nfs/dbraw/zinc/49/87/03/533498703.db2.gz UCNOWPDIUDILDT-VXGBXAGGSA-N 1 3 300.349 2.309 20 0 DEADHO COc1cccc(N2CC[C@H](N[C@H]3CC[NH2+]CC[C@@H]3C)C2)c1 ZINC000422703101 533588222 /nfs/dbraw/zinc/58/82/22/533588222.db2.gz HBANDCXRCMFISS-MPGHIAIKSA-N 1 3 303.450 2.252 20 0 DEADHO COc1cccc(N2CC[C@H]([NH2+][C@@H](C)[C@@H]3CCCCN3)C2)c1 ZINC000422701478 533588985 /nfs/dbraw/zinc/58/89/85/533588985.db2.gz BZSDGDTUXJFEPO-MPGHIAIKSA-N 1 3 303.450 2.394 20 0 DEADHO C[C@@H](CCCC[NH3+])NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000422932240 533538599 /nfs/dbraw/zinc/53/85/99/533538599.db2.gz FFXXDPADDXPBRM-LBPRGKRZSA-N 1 3 318.870 2.221 20 0 DEADHO CSCC[C@H](N[C@H](C)CCC[NH3+])c1nnc2ccccn21 ZINC000422798997 533654873 /nfs/dbraw/zinc/65/48/73/533654873.db2.gz UPGUVPMMWJRVGB-OLZOCXBDSA-N 1 3 307.467 2.241 20 0 DEADHO CN1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000684792724 542665071 /nfs/dbraw/zinc/66/50/71/542665071.db2.gz XQCQPAWBDJDCGU-RDJZCZTQSA-N 1 3 322.497 2.177 20 0 DEADHO CN1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000684792724 542665075 /nfs/dbraw/zinc/66/50/75/542665075.db2.gz XQCQPAWBDJDCGU-RDJZCZTQSA-N 1 3 322.497 2.177 20 0 DEADHO CCN1CCC[C@@H](NC(=O)N(C)CC[NH+](C(C)C)C(C)C)C1 ZINC000355920446 133055512 /nfs/dbraw/zinc/05/55/12/133055512.db2.gz GOGFIPOXTOHUBI-MRXNPFEDSA-N 1 3 312.502 2.231 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000357638259 133090488 /nfs/dbraw/zinc/09/04/88/133090488.db2.gz LEEFZVCEPGZVHC-HNNXBMFYSA-N 1 3 320.481 2.276 20 0 DEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000357638259 133090489 /nfs/dbraw/zinc/09/04/89/133090489.db2.gz LEEFZVCEPGZVHC-HNNXBMFYSA-N 1 3 320.481 2.276 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C2=CCN(C)CC2)C[C@@H]1C ZINC000358101832 133120940 /nfs/dbraw/zinc/12/09/40/133120940.db2.gz HHKLRQDSYOIHSO-UXLLHSPISA-N 1 3 322.497 2.151 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C2=CCN(C)CC2)C[C@@H]1C ZINC000358101832 133120941 /nfs/dbraw/zinc/12/09/41/133120941.db2.gz HHKLRQDSYOIHSO-UXLLHSPISA-N 1 3 322.497 2.151 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN(C)[C@H]2CCC[C@H](C)C2)CC1 ZINC000358207198 133128341 /nfs/dbraw/zinc/12/83/41/133128341.db2.gz LBNXNVRGLFKQON-RDJZCZTQSA-N 1 3 309.498 2.486 20 0 DEADHO COC(=O)c1ccccc1OCCN1CCC(C[NH+](C)C)CC1 ZINC000360010639 133157523 /nfs/dbraw/zinc/15/75/23/133157523.db2.gz OKPABXXHPMFTAD-UHFFFAOYSA-N 1 3 320.433 2.126 20 0 DEADHO Cc1cc(C)cc(NC(=[NH2+])NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000360574160 133191317 /nfs/dbraw/zinc/19/13/17/133191317.db2.gz YCORVOOFYAYXIR-HOTGVXAUSA-N 1 3 302.422 2.103 20 0 DEADHO CCOCCC[N@@H+]1CC[C@@H](NCCNc2ccccn2)[C@H](C)C1 ZINC000361882019 133197583 /nfs/dbraw/zinc/19/75/83/133197583.db2.gz YGVSDVJKMLUBAG-IAGOWNOFSA-N 1 3 320.481 2.220 20 0 DEADHO CCOCCC[N@H+]1CC[C@@H](NCCNc2ccccn2)[C@H](C)C1 ZINC000361882019 133197584 /nfs/dbraw/zinc/19/75/84/133197584.db2.gz YGVSDVJKMLUBAG-IAGOWNOFSA-N 1 3 320.481 2.220 20 0 DEADHO Cc1ccc([C@H](CNC(=O)C[C@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000372486472 133355912 /nfs/dbraw/zinc/35/59/12/133355912.db2.gz WVPSZXJUGBPXPL-WMZOPIPTSA-N 1 3 317.477 2.494 20 0 DEADHO C[C@@H]([NH2+]CCC(=O)Nc1cccc(F)c1)C1=CCN(C)CC1 ZINC000563014461 292024629 /nfs/dbraw/zinc/02/46/29/292024629.db2.gz WPEXQHOLFDYQQT-CYBMUJFWSA-N 1 3 305.397 2.394 20 0 DEADHO COc1ccc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1O ZINC000563460691 292058531 /nfs/dbraw/zinc/05/85/31/292058531.db2.gz FGEPSNZIRBVMPJ-YJBOKZPZSA-N 1 3 320.433 2.119 20 0 DEADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H]1CCC2(CCCC2)O1 ZINC000563550954 292062728 /nfs/dbraw/zinc/06/27/28/292062728.db2.gz LZEMSRWTQHSVPT-GOSISDBHSA-N 1 3 323.525 2.436 20 0 DEADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H]1CCC2(CCCC2)O1 ZINC000563550954 292062729 /nfs/dbraw/zinc/06/27/29/292062729.db2.gz LZEMSRWTQHSVPT-GOSISDBHSA-N 1 3 323.525 2.436 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1cccc2c1CCNC2 ZINC000564060197 292084494 /nfs/dbraw/zinc/08/44/94/292084494.db2.gz JTDYBVIMXSNZCK-ZDUSSCGKSA-N 1 3 304.438 2.183 20 0 DEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1cccc2c1CCNC2 ZINC000564060197 292084495 /nfs/dbraw/zinc/08/44/95/292084495.db2.gz JTDYBVIMXSNZCK-ZDUSSCGKSA-N 1 3 304.438 2.183 20 0 DEADHO Cn1cc([C@H](NCC2CC[NH2+]CC2)c2cccc(F)c2)cn1 ZINC000564822251 292112837 /nfs/dbraw/zinc/11/28/37/292112837.db2.gz JWRDEWATKAVTJL-QGZVFWFLSA-N 1 3 302.397 2.238 20 0 DEADHO N[C@@H]1C[C@@H]([NH2+]CCc2cn3c(n2)SCC3)c2ccccc21 ZINC000564823222 292113099 /nfs/dbraw/zinc/11/30/99/292113099.db2.gz DLUPQCOQHOKQTE-HUUCEWRRSA-N 1 3 300.431 2.266 20 0 DEADHO CC[NH+]1CCC(CNC(=O)Nc2cc(C)cc(CN)c2)CC1 ZINC000564842409 292114636 /nfs/dbraw/zinc/11/46/36/292114636.db2.gz QJKVSYBDUUEXAY-UHFFFAOYSA-N 1 3 304.438 2.307 20 0 DEADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)CC1 ZINC000247495482 145139051 /nfs/dbraw/zinc/13/90/51/145139051.db2.gz MNWHXULZRUMDCV-HZPDHXFCSA-N 1 3 324.513 2.279 20 0 DEADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCCN2C)C1 ZINC000247501282 145139218 /nfs/dbraw/zinc/13/92/18/145139218.db2.gz NPBCOUPBFCOQNA-JKSUJKDBSA-N 1 3 324.513 2.280 20 0 DEADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCCN2C)C1 ZINC000247501282 145139219 /nfs/dbraw/zinc/13/92/19/145139219.db2.gz NPBCOUPBFCOQNA-JKSUJKDBSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H](C[S@@](C)=O)N[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000248445530 145155467 /nfs/dbraw/zinc/15/54/67/145155467.db2.gz CBNGMTVXRDJDRJ-ZMOMAAQPSA-N 1 3 312.479 2.045 20 0 DEADHO COCCC[C@@H](C)[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000248456176 145155507 /nfs/dbraw/zinc/15/55/07/145155507.db2.gz SBNINMMZXSJPDA-CRAIPNDOSA-N 1 3 306.450 2.158 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261706698 145219139 /nfs/dbraw/zinc/21/91/39/145219139.db2.gz IXKQYNYHJGTBNZ-LEUOFYLZSA-N 1 3 315.461 2.456 20 0 DEADHO [NH3+][C@@H]1CC[C@@H]2CN(CCC(=O)Nc3cccc(Cl)c3)C[C@H]12 ZINC000261733413 145221437 /nfs/dbraw/zinc/22/14/37/145221437.db2.gz RJQBRXJNVOGSND-BYCMXARLSA-N 1 3 307.825 2.338 20 0 DEADHO Cn1cc(-c2ccc(CN3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)s2)cn1 ZINC000261784004 145225736 /nfs/dbraw/zinc/22/57/36/145225736.db2.gz FRGBUJYBVIQIKQ-CQDKDKBSSA-N 1 3 302.447 2.318 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H](N)c1ccccc1 ZINC000262351842 145278382 /nfs/dbraw/zinc/27/83/82/145278382.db2.gz VGRPETLIKJCMML-ORQFMDKSSA-N 1 3 301.434 2.066 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H](N)c1ccccc1 ZINC000262351842 145278383 /nfs/dbraw/zinc/27/83/83/145278383.db2.gz VGRPETLIKJCMML-ORQFMDKSSA-N 1 3 301.434 2.066 20 0 DEADHO CN(CCNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)Cc1ccccc1 ZINC000262457319 145284943 /nfs/dbraw/zinc/28/49/43/145284943.db2.gz WTKMYJXTZXMAFJ-PKOBYXMFSA-N 1 3 315.461 2.014 20 0 DEADHO CCC[NH+]1CCC(NCCn2cc(Br)cn2)CC1 ZINC000311021777 145353056 /nfs/dbraw/zinc/35/30/56/145353056.db2.gz OHRBTVTZIHMSIQ-UHFFFAOYSA-N 1 3 315.259 2.110 20 0 DEADHO [NH3+][C@@H]1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000309855310 145351140 /nfs/dbraw/zinc/35/11/40/145351140.db2.gz BURLFSNCTXZAGB-KZNAEPCWSA-N 1 3 315.461 2.142 20 0 DEADHO [NH3+]CCCOC1CCN(Cc2cccc(-n3cccn3)c2)CC1 ZINC000346684086 146123794 /nfs/dbraw/zinc/12/37/94/146123794.db2.gz RCUZWPLJVOHETE-UHFFFAOYSA-N 1 3 314.433 2.202 20 0 DEADHO C[NH2+]CC1CCN(Cc2cnc3c(cnn3C(C)C)c2)CC1 ZINC000347108053 146195348 /nfs/dbraw/zinc/19/53/48/146195348.db2.gz OWRPDPGSCWMXSP-UHFFFAOYSA-N 1 3 301.438 2.444 20 0 DEADHO C[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000348168738 146227631 /nfs/dbraw/zinc/22/76/31/146227631.db2.gz MWMYRCLAMOZRHT-HPFXQQBRSA-N 1 3 321.509 2.438 20 0 DEADHO C[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000348168738 146227633 /nfs/dbraw/zinc/22/76/33/146227633.db2.gz MWMYRCLAMOZRHT-HPFXQQBRSA-N 1 3 321.509 2.438 20 0 DEADHO C[C@H](NC[C@H]1CCCC(=O)N1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348406608 146266869 /nfs/dbraw/zinc/26/68/69/146266869.db2.gz TYPPUIDOIBOFMC-CGTJXYLNSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H](NC[C@H]1CCCC(=O)N1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348406608 146266872 /nfs/dbraw/zinc/26/68/72/146266872.db2.gz TYPPUIDOIBOFMC-CGTJXYLNSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H]1CCC[C@H](CN2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000357001722 147019503 /nfs/dbraw/zinc/01/95/03/147019503.db2.gz MSFNXKMFVOTAML-IXDOHACOSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CCC[C@H](CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000357001722 147019504 /nfs/dbraw/zinc/01/95/04/147019504.db2.gz MSFNXKMFVOTAML-IXDOHACOSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CCC[C@H](CN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000357001722 147019506 /nfs/dbraw/zinc/01/95/06/147019506.db2.gz MSFNXKMFVOTAML-IXDOHACOSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+](CCC1CCN([C@@H](C)C(=O)N(C)C)CC1)CC1CC1 ZINC000357071793 147035419 /nfs/dbraw/zinc/03/54/19/147035419.db2.gz BTAWQBTVHPLTIV-HNNXBMFYSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@@H+](CCC1CCN([C@@H](C)C(=O)N(C)C)CC1)CC1CC1 ZINC000357071793 147035420 /nfs/dbraw/zinc/03/54/20/147035420.db2.gz BTAWQBTVHPLTIV-HNNXBMFYSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1)C1C[NH2+]C1 ZINC000357238681 147070084 /nfs/dbraw/zinc/07/00/84/147070084.db2.gz IVAUVBKYTJYZOL-VKJFTORMSA-N 1 3 315.461 2.011 20 0 DEADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCOc1ncccc1C(F)(F)F ZINC000358354322 147118409 /nfs/dbraw/zinc/11/84/09/147118409.db2.gz QLQVPDWGWPJINY-DGCLKSJQSA-N 1 3 317.355 2.409 20 0 DEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCOc1ncccc1C(F)(F)F ZINC000358354322 147118410 /nfs/dbraw/zinc/11/84/10/147118410.db2.gz QLQVPDWGWPJINY-DGCLKSJQSA-N 1 3 317.355 2.409 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N(C)CC1CCN(C)CC1 ZINC000358443923 147135894 /nfs/dbraw/zinc/13/58/94/147135894.db2.gz VJPLEWBVRGLONE-HNNXBMFYSA-N 1 3 312.502 2.090 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N(C)CC1CCN(C)CC1 ZINC000358443923 147135896 /nfs/dbraw/zinc/13/58/96/147135896.db2.gz VJPLEWBVRGLONE-HNNXBMFYSA-N 1 3 312.502 2.090 20 0 DEADHO CS[C@H]1CN(CCCn2ccnc2C)C[C@H]1[NH+]1CCCC1 ZINC000358827430 147214080 /nfs/dbraw/zinc/21/40/80/147214080.db2.gz QELAQLLIADWFHA-CVEARBPZSA-N 1 3 308.495 2.093 20 0 DEADHO C[C@@H](CNC(=O)[C@@H](CN)c1ccc(F)cc1)[N@@H+]1CCCC[C@H]1C ZINC000358853802 147219340 /nfs/dbraw/zinc/21/93/40/147219340.db2.gz INGQCEUESFMENF-KEYYUXOJSA-N 1 3 321.440 2.247 20 0 DEADHO C[C@@H](CNC(=O)[C@@H](CN)c1ccc(F)cc1)[N@H+]1CCCC[C@H]1C ZINC000358853802 147219342 /nfs/dbraw/zinc/21/93/42/147219342.db2.gz INGQCEUESFMENF-KEYYUXOJSA-N 1 3 321.440 2.247 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCN(C2CC2)C1)CC(C)C ZINC000359220317 147285425 /nfs/dbraw/zinc/28/54/25/147285425.db2.gz GPBVOKPYYAIJRQ-RDJZCZTQSA-N 1 3 324.513 2.279 20 0 DEADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NCC1(SC)CCN(C)CC1 ZINC000359261397 147294304 /nfs/dbraw/zinc/29/43/04/147294304.db2.gz MWNIUMDJTOJEJT-CYBMUJFWSA-N 1 3 315.527 2.097 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000360804649 147387621 /nfs/dbraw/zinc/38/76/21/147387621.db2.gz YFIFKFVCFRNDIX-PMPSAXMXSA-N 1 3 312.502 2.088 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000360804649 147387622 /nfs/dbraw/zinc/38/76/22/147387622.db2.gz YFIFKFVCFRNDIX-PMPSAXMXSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC(=O)c1coc(-c2c(F)cccc2F)n1 ZINC000565659998 292175554 /nfs/dbraw/zinc/17/55/54/292175554.db2.gz MEPRMEWGNSNMAK-DTWKUNHWSA-N 1 3 309.316 2.475 20 0 DEADHO CN1CCN(CC2(C)CC[NH+](C[C@H]3CCSC3)CC2)CC1 ZINC000369485675 147915524 /nfs/dbraw/zinc/91/55/24/147915524.db2.gz RRIPYNKEEAVGIM-MRXNPFEDSA-N 1 3 311.539 2.089 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]CC2(N(C)C)CCC2)[C@@H](C)C1 ZINC000437105966 286061920 /nfs/dbraw/zinc/06/19/20/286061920.db2.gz UJHPXRSNSUWSQX-IRXDYDNUSA-N 1 3 311.514 2.197 20 0 DEADHO CC1(CN[C@H](c2nnc[nH]2)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000566092499 292204433 /nfs/dbraw/zinc/20/44/33/292204433.db2.gz CAXFTWODUCGEIC-AWEZNQCLSA-N 1 3 303.385 2.013 20 0 DEADHO Cc1nccn1CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000566089461 292203974 /nfs/dbraw/zinc/20/39/74/292203974.db2.gz ZFLYZVYXPCEZQE-WMZOPIPTSA-N 1 3 312.417 2.037 20 0 DEADHO O[C@@H]1CCCC[C@H]1CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000566088791 292204055 /nfs/dbraw/zinc/20/40/55/292204055.db2.gz NGJBXPSRWLGOMY-KNIMUDFMSA-N 1 3 316.445 2.383 20 0 DEADHO C[C@H]1CC[C@@H](CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000126483259 401696229 /nfs/dbraw/zinc/69/62/29/401696229.db2.gz FNHNMMLCJFORRM-JKSUJKDBSA-N 1 3 321.509 2.488 20 0 DEADHO CCC[NH+]1CCC(N(C)C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000130420282 401831146 /nfs/dbraw/zinc/83/11/46/401831146.db2.gz DGOFHKHKJBDQRW-GJZGRUSLSA-N 1 3 322.497 2.127 20 0 DEADHO CC(C)[C@@H]1CCCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000117347415 401875157 /nfs/dbraw/zinc/87/51/57/401875157.db2.gz XKVWKAALUUSBAY-KRWDZBQOSA-N 1 3 309.498 2.486 20 0 DEADHO COc1cccc([C@H](C[NH2+][C@H]2CCN(C)[C@@H](C)C2)N(C)C)c1 ZINC000133621294 401892471 /nfs/dbraw/zinc/89/24/71/401892471.db2.gz DEWWANONOOYZOW-ZVZYQTTQSA-N 1 3 305.466 2.370 20 0 DEADHO COc1cccc([C@H](CN[C@H]2CC[N@H+](C)[C@@H](C)C2)N(C)C)c1 ZINC000133621294 401892474 /nfs/dbraw/zinc/89/24/74/401892474.db2.gz DEWWANONOOYZOW-ZVZYQTTQSA-N 1 3 305.466 2.370 20 0 DEADHO COc1cccc([C@H](CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)N(C)C)c1 ZINC000133621294 401892476 /nfs/dbraw/zinc/89/24/76/401892476.db2.gz DEWWANONOOYZOW-ZVZYQTTQSA-N 1 3 305.466 2.370 20 0 DEADHO C[C@H](C(=O)NC1CCCCC1)N1CCC(CC[NH+](C)C)CC1 ZINC000118868608 401913205 /nfs/dbraw/zinc/91/32/05/401913205.db2.gz FUPWCAYZAOOOJB-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CC1CC[NH+](CCCNC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)CC1 ZINC000085388141 401915255 /nfs/dbraw/zinc/91/52/55/401915255.db2.gz KNPICYYKZOJHQW-DLBZAZTESA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H](CC1CC1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000090038877 401979402 /nfs/dbraw/zinc/97/94/02/401979402.db2.gz IHYJRFUANWIUII-CQSZACIVSA-N 1 3 303.450 2.256 20 0 DEADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cncc(F)c2)CC1 ZINC000121326185 402029225 /nfs/dbraw/zinc/02/92/25/402029225.db2.gz WUUPTCLQXFRUBA-GJZGRUSLSA-N 1 3 308.445 2.145 20 0 DEADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc2c(c1)OCO2 ZINC000150950871 402006316 /nfs/dbraw/zinc/00/63/16/402006316.db2.gz ZCRGZTFWXFBNEV-AWEZNQCLSA-N 1 3 319.449 2.092 20 0 DEADHO COc1ccc([C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cc1 ZINC000150991782 402009567 /nfs/dbraw/zinc/00/95/67/402009567.db2.gz NHHMLDABOXNHHO-OAHLLOKOSA-N 1 3 305.466 2.372 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000566192675 292216688 /nfs/dbraw/zinc/21/66/88/292216688.db2.gz PVUAEXQXYHUWGN-UHFFFAOYSA-N 1 3 318.465 2.163 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000566193311 292216699 /nfs/dbraw/zinc/21/66/99/292216699.db2.gz LGFOPSHQCJGSOM-QBYUYEEZSA-N 1 3 318.465 2.074 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000123128385 402112271 /nfs/dbraw/zinc/11/22/71/402112271.db2.gz AXFZURZIKNNIRQ-DLBZAZTESA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000123128385 402112274 /nfs/dbraw/zinc/11/22/74/402112274.db2.gz AXFZURZIKNNIRQ-DLBZAZTESA-N 1 3 324.513 2.138 20 0 DEADHO CN(C)CCNC(=O)c1ccc(C[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000123383371 402125230 /nfs/dbraw/zinc/12/52/30/402125230.db2.gz PYFPOOYBYIHHGO-INIZCTEOSA-N 1 3 315.461 2.424 20 0 DEADHO CC[C@@H](C(=O)NCc1ccccc1C[N@H+](C)C(C)C)N(C)C ZINC000124832513 402199634 /nfs/dbraw/zinc/19/96/34/402199634.db2.gz QIKMSQDLEWQWFX-KRWDZBQOSA-N 1 3 305.466 2.483 20 0 DEADHO CC[C@@H](C(=O)NCc1ccccc1C[N@@H+](C)C(C)C)N(C)C ZINC000124832513 402199637 /nfs/dbraw/zinc/19/96/37/402199637.db2.gz QIKMSQDLEWQWFX-KRWDZBQOSA-N 1 3 305.466 2.483 20 0 DEADHO CCN(CC)CC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000153823362 402172487 /nfs/dbraw/zinc/17/24/87/402172487.db2.gz LDQACNKLGVPMFA-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@@H]([NH3+])[C@H](C)CC)N(C)C)cc1 ZINC000155605973 402262309 /nfs/dbraw/zinc/26/23/09/402262309.db2.gz XHKVWRZNHMPJRQ-COXVUDFISA-N 1 3 305.466 2.341 20 0 DEADHO C[NH+](C)CCOCCNCc1ccccc1OC(F)(F)F ZINC000231676371 402355002 /nfs/dbraw/zinc/35/50/02/402355002.db2.gz IUDRRYALVRDYGX-UHFFFAOYSA-N 1 3 306.328 2.253 20 0 DEADHO C[C@@H](CC(=O)NC[C@H](C)N1CCC(C)CC1)C1CC[NH2+]CC1 ZINC000236716646 402377831 /nfs/dbraw/zinc/37/78/31/402377831.db2.gz DAHVNUDCEXDAPF-HOTGVXAUSA-N 1 3 309.498 2.249 20 0 DEADHO CCCC[C@H](N)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000236807869 402383322 /nfs/dbraw/zinc/38/33/22/402383322.db2.gz LOPQNQYKJMZVSW-ROUUACIJSA-N 1 3 317.477 2.185 20 0 DEADHO CCCC[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000236807869 402383326 /nfs/dbraw/zinc/38/33/26/402383326.db2.gz LOPQNQYKJMZVSW-ROUUACIJSA-N 1 3 317.477 2.185 20 0 DEADHO CN1CCC[C@H](CNC(=O)C(C)(C)C[NH3+])[C@@H]1c1cccs1 ZINC000237085309 402394725 /nfs/dbraw/zinc/39/47/25/402394725.db2.gz PLOQNSBYFBIJOS-TZMCWYRMSA-N 1 3 309.479 2.232 20 0 DEADHO C[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H](C)CN1 ZINC000237368030 402405822 /nfs/dbraw/zinc/40/58/22/402405822.db2.gz FJQNJDFAHLUNOW-CABCVRRESA-N 1 3 301.434 2.105 20 0 DEADHO C[C@H](C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@@H](N)c1ccccc1 ZINC000237422611 402407429 /nfs/dbraw/zinc/40/74/29/402407429.db2.gz LVURFIHPWXXFMQ-OFQRWUPVSA-N 1 3 305.466 2.415 20 0 DEADHO COc1ccsc1[C@@H](C)NCCN1CCC([NH+](C)C)CC1 ZINC000186187007 402408795 /nfs/dbraw/zinc/40/87/95/402408795.db2.gz PBLPJPOYZQRFJJ-CYBMUJFWSA-N 1 3 311.495 2.433 20 0 DEADHO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000237525280 402411358 /nfs/dbraw/zinc/41/13/58/402411358.db2.gz ARNKSYOYYMBVPW-YOEHRIQHSA-N 1 3 301.434 2.234 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)CC(C)(C)[NH3+])CCN1Cc1ccccc1 ZINC000237539748 402411833 /nfs/dbraw/zinc/41/18/33/402411833.db2.gz QMFNQGAKYHSRBU-HOCLYGCPSA-N 1 3 303.450 2.283 20 0 DEADHO C[C@H]1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CCN1Cc1ccccc1 ZINC000237604746 402414661 /nfs/dbraw/zinc/41/46/61/402414661.db2.gz COIXUMYENINGJA-DOTOQJQBSA-N 1 3 317.477 2.483 20 0 DEADHO N[C@@H](CC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000237874050 402423867 /nfs/dbraw/zinc/42/38/67/402423867.db2.gz NPSDEKMQHQXFNK-SJORKVTESA-N 1 3 301.434 2.163 20 0 DEADHO CN(C)[C@@H]1CCCN(C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000161621538 402393430 /nfs/dbraw/zinc/39/34/30/402393430.db2.gz APBNQUOIDYKWHS-QGZVFWFLSA-N 1 3 324.513 2.378 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)C[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000163603778 402453227 /nfs/dbraw/zinc/45/32/27/402453227.db2.gz HINHCGNHIDQZOJ-IAGOWNOFSA-N 1 3 303.450 2.110 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000163597295 402453666 /nfs/dbraw/zinc/45/36/66/402453666.db2.gz OJQBKIGTNOCOJB-UAGQMJEPSA-N 1 3 303.450 2.265 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000163597295 402453667 /nfs/dbraw/zinc/45/36/67/402453667.db2.gz OJQBKIGTNOCOJB-UAGQMJEPSA-N 1 3 303.450 2.265 20 0 DEADHO CCn1cc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000178038220 402454646 /nfs/dbraw/zinc/45/46/46/402454646.db2.gz BKRBSGJHWMGKPB-OWCLPIDISA-N 1 3 308.470 2.443 20 0 DEADHO C[C@@H](N)C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000164839047 402469593 /nfs/dbraw/zinc/46/95/93/402469593.db2.gz XDBHAWFEUCLSQI-QLFBSQMISA-N 1 3 303.450 2.128 20 0 DEADHO C[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000164839047 402469595 /nfs/dbraw/zinc/46/95/95/402469595.db2.gz XDBHAWFEUCLSQI-QLFBSQMISA-N 1 3 303.450 2.128 20 0 DEADHO C[C@@H](CC(=O)NCCN(C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000165933506 402480096 /nfs/dbraw/zinc/48/00/96/402480096.db2.gz GJJLYHVQACXTIQ-INIZCTEOSA-N 1 3 317.477 2.260 20 0 DEADHO O=C(C[NH2+]CC1CC1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000166205112 402482499 /nfs/dbraw/zinc/48/24/99/402482499.db2.gz GIRBAUJGTBDDHB-OAHLLOKOSA-N 1 3 321.490 2.076 20 0 DEADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000246149397 402513297 /nfs/dbraw/zinc/51/32/97/402513297.db2.gz CTCXMELPEOPTCA-UKRRQHHQSA-N 1 3 324.513 2.277 20 0 DEADHO COCCCN(C)CCNC1CC[NH+](C2CCCCC2)CC1 ZINC000166712635 402486723 /nfs/dbraw/zinc/48/67/23/402486723.db2.gz CZHPRCKTWFTKFO-UHFFFAOYSA-N 1 3 311.514 2.341 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[NH2+]2)CCN1Cc1ccccc1 ZINC000167541047 402491829 /nfs/dbraw/zinc/49/18/29/402491829.db2.gz ZZCJTBQENXFEKV-SZMVWBNQSA-N 1 3 315.461 2.298 20 0 DEADHO CN(C(=O)[C@@H]1CCCC[NH2+]1)C1CCN(Cc2ccccc2)CC1 ZINC000167668941 402492881 /nfs/dbraw/zinc/49/28/81/402492881.db2.gz NJQYKAJYUGVLME-SFHVURJKSA-N 1 3 315.461 2.252 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000167790392 402493776 /nfs/dbraw/zinc/49/37/76/402493776.db2.gz MJHAUPSWRPBGID-CRAIPNDOSA-N 1 3 315.461 2.470 20 0 DEADHO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000169002703 402499189 /nfs/dbraw/zinc/49/91/89/402499189.db2.gz JHUGMTUPNDMPMR-BHYGNILZSA-N 1 3 303.450 2.141 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)N2CCCCCC2)C1 ZINC000246937024 402550164 /nfs/dbraw/zinc/55/01/64/402550164.db2.gz KMVXOBPXQLDBBN-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)N2CCCCCC2)C1 ZINC000246937024 402550167 /nfs/dbraw/zinc/55/01/67/402550167.db2.gz KMVXOBPXQLDBBN-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000171054573 402552532 /nfs/dbraw/zinc/55/25/32/402552532.db2.gz YLDOVLMPLNLHGM-JKSUJKDBSA-N 1 3 312.502 2.136 20 0 DEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000171054573 402552534 /nfs/dbraw/zinc/55/25/34/402552534.db2.gz YLDOVLMPLNLHGM-JKSUJKDBSA-N 1 3 312.502 2.136 20 0 DEADHO CC(C)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000247013160 402553708 /nfs/dbraw/zinc/55/37/08/402553708.db2.gz HFMBIBNBNUKQLW-JFIYKMOQSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000247013160 402553709 /nfs/dbraw/zinc/55/37/09/402553709.db2.gz HFMBIBNBNUKQLW-JFIYKMOQSA-N 1 3 321.509 2.486 20 0 DEADHO COCCOc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000566401403 292234982 /nfs/dbraw/zinc/23/49/82/292234982.db2.gz YFXREINBOVLHBY-ALOPSCKCSA-N 1 3 304.434 2.427 20 0 DEADHO CCCN(CCC[NH+](C)C)C(=O)NCCN1CCC(C)CC1 ZINC000188617981 402521415 /nfs/dbraw/zinc/52/14/15/402521415.db2.gz RBLKHLSJIFGCDZ-UHFFFAOYSA-N 1 3 312.502 2.092 20 0 DEADHO COC[C@@H](C)[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000178699208 402528026 /nfs/dbraw/zinc/52/80/26/402528026.db2.gz ACRGQUPKHJOASV-QGZVFWFLSA-N 1 3 305.466 2.213 20 0 DEADHO [NH3+]C1(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CCCC1 ZINC000178733710 402532206 /nfs/dbraw/zinc/53/22/06/402532206.db2.gz ANGSUHBOPBQSSC-CQSZACIVSA-N 1 3 321.490 2.348 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCCN2CCCCC2)C1 ZINC000178734744 402532821 /nfs/dbraw/zinc/53/28/21/402532821.db2.gz OBGPSVFEIGLEBC-QGZVFWFLSA-N 1 3 324.513 2.140 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCCN2CCCCC2)C1 ZINC000178734744 402532825 /nfs/dbraw/zinc/53/28/25/402532825.db2.gz OBGPSVFEIGLEBC-QGZVFWFLSA-N 1 3 324.513 2.140 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000170903933 402539971 /nfs/dbraw/zinc/53/99/71/402539971.db2.gz XMOUWGDWWHDQQF-QGZVFWFLSA-N 1 3 303.450 2.109 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000170903933 402539973 /nfs/dbraw/zinc/53/99/73/402539973.db2.gz XMOUWGDWWHDQQF-QGZVFWFLSA-N 1 3 303.450 2.109 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(C(C)C)CC3)CC2)CC1 ZINC000566455534 292242888 /nfs/dbraw/zinc/24/28/88/292242888.db2.gz GMOVWBHKLIFNCV-UHFFFAOYSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000251667263 402648756 /nfs/dbraw/zinc/64/87/56/402648756.db2.gz LLDKGVCYKYBEJW-OWCLPIDISA-N 1 3 322.497 2.175 20 0 DEADHO CC(C)[N@H+](C)Cc1cccc(CN[C@H]2CCCS(=O)(=O)C2)c1 ZINC000182659488 402706642 /nfs/dbraw/zinc/70/66/42/402706642.db2.gz VDZRGCHCOSFAJG-KRWDZBQOSA-N 1 3 324.490 2.194 20 0 DEADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2CCCS(=O)(=O)C2)c1 ZINC000182659488 402706646 /nfs/dbraw/zinc/70/66/46/402706646.db2.gz VDZRGCHCOSFAJG-KRWDZBQOSA-N 1 3 324.490 2.194 20 0 DEADHO CC(C)N(C)Cc1cccc(C[NH2+][C@H]2CCCS(=O)(=O)C2)c1 ZINC000182659488 402706648 /nfs/dbraw/zinc/70/66/48/402706648.db2.gz VDZRGCHCOSFAJG-KRWDZBQOSA-N 1 3 324.490 2.194 20 0 DEADHO C[C@@H](C(=O)N(C)C1CCN(Cc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000192110728 402711719 /nfs/dbraw/zinc/71/17/19/402711719.db2.gz JJWRLCVGJKNYMH-CABCVRRESA-N 1 3 303.450 2.093 20 0 DEADHO C[C@@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)N(C)C1CC1 ZINC000172583206 402664362 /nfs/dbraw/zinc/66/43/62/402664362.db2.gz BSXVIROGYRVAQT-HNNXBMFYSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)N(C)C1CC1 ZINC000172583206 402664363 /nfs/dbraw/zinc/66/43/63/402664363.db2.gz BSXVIROGYRVAQT-HNNXBMFYSA-N 1 3 322.497 2.129 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)c1 ZINC000172770594 402674968 /nfs/dbraw/zinc/67/49/68/402674968.db2.gz IVXKUWDQZZRBBW-QGZVFWFLSA-N 1 3 303.450 2.305 20 0 DEADHO COCC1(CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CCCCC1 ZINC000423142173 292248111 /nfs/dbraw/zinc/24/81/11/292248111.db2.gz UKJICSTXNDZYPU-YESZJQIVSA-N 1 3 310.482 2.330 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000272255668 402915590 /nfs/dbraw/zinc/91/55/90/402915590.db2.gz MESFIHGERKQUPL-YOEHRIQHSA-N 1 3 301.434 2.092 20 0 DEADHO C[C@@H](CC(N)=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000267263374 403030346 /nfs/dbraw/zinc/03/03/46/403030346.db2.gz QNHKSXXYTYAHFG-LNRIEFBSSA-N 1 3 301.434 2.036 20 0 DEADHO C[C@@H](CC(N)=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000267263374 403030347 /nfs/dbraw/zinc/03/03/47/403030347.db2.gz QNHKSXXYTYAHFG-LNRIEFBSSA-N 1 3 301.434 2.036 20 0 DEADHO O=C1CCN(CNCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000273155269 402977306 /nfs/dbraw/zinc/97/73/06/402977306.db2.gz ZSQCKWKLJRCJOI-UHFFFAOYSA-N 1 3 315.461 2.111 20 0 DEADHO CN(c1ccccc1C[NH2+]C[C@@H]1CCOC1)C1CCN(C)CC1 ZINC000268324744 403073642 /nfs/dbraw/zinc/07/36/42/403073642.db2.gz HAOWHOIWLZRFRC-INIZCTEOSA-N 1 3 317.477 2.343 20 0 DEADHO Cc1cccc(OC[C@H](O)CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000268802269 403115039 /nfs/dbraw/zinc/11/50/39/403115039.db2.gz BLIYLCBDDWHENU-BVIKNXMNSA-N 1 3 306.450 2.053 20 0 DEADHO Cc1cccc(OC[C@H](O)CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000268802269 403115040 /nfs/dbraw/zinc/11/50/40/403115040.db2.gz BLIYLCBDDWHENU-BVIKNXMNSA-N 1 3 306.450 2.053 20 0 DEADHO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](N(C)C)CC2)cc1 ZINC000277387534 403212372 /nfs/dbraw/zinc/21/23/72/403212372.db2.gz YONOZUOPOSTMOX-INIZCTEOSA-N 1 3 319.449 2.440 20 0 DEADHO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](N(C)C)CC2)cc1 ZINC000277387534 403212374 /nfs/dbraw/zinc/21/23/74/403212374.db2.gz YONOZUOPOSTMOX-INIZCTEOSA-N 1 3 319.449 2.440 20 0 DEADHO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000277451392 403219217 /nfs/dbraw/zinc/21/92/17/403219217.db2.gz GNJIFMSXRLSNCE-QAPCUYQASA-N 1 3 315.461 2.155 20 0 DEADHO CN1CC[C@@]2(CC[N@H+](Cc3ccc4c(c3)CCC(=O)N4C)C2)C1 ZINC000292152045 403306871 /nfs/dbraw/zinc/30/68/71/403306871.db2.gz NPWMGDNNGHAQMO-LJQANCHMSA-N 1 3 313.445 2.123 20 0 DEADHO CN1CC[C@@]2(CC[N@@H+](Cc3ccc4c(c3)CCC(=O)N4C)C2)C1 ZINC000292152045 403306876 /nfs/dbraw/zinc/30/68/76/403306876.db2.gz NPWMGDNNGHAQMO-LJQANCHMSA-N 1 3 313.445 2.123 20 0 DEADHO C[C@@H](C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)N1CCCCCC1 ZINC000345582058 403390762 /nfs/dbraw/zinc/39/07/62/403390762.db2.gz GNQHPJXPIMGUQI-HOTGVXAUSA-N 1 3 309.498 2.440 20 0 DEADHO CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CCCN(C)[C@@H]2C)CC1 ZINC000345735831 403462181 /nfs/dbraw/zinc/46/21/81/403462181.db2.gz DBZNWSKLZBYKFL-WBVHZDCISA-N 1 3 324.513 2.233 20 0 DEADHO CN(CC[NH+]1CCCC1)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000345766679 403474989 /nfs/dbraw/zinc/47/49/89/403474989.db2.gz AOWZJNUJMNJKDI-UHFFFAOYSA-N 1 3 324.428 2.415 20 0 DEADHO C[C@H]1[C@@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)CCCN1C ZINC000345765113 403475352 /nfs/dbraw/zinc/47/53/52/403475352.db2.gz YRXQFVHCNKURSL-RDJZCZTQSA-N 1 3 324.513 2.233 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000566857154 292273141 /nfs/dbraw/zinc/27/31/41/292273141.db2.gz LBDIDTIFCWPVSA-KBPBESRZSA-N 1 3 305.422 2.083 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCCN1C ZINC000343160321 403482307 /nfs/dbraw/zinc/48/23/07/403482307.db2.gz WCJTYGKEMTWMSL-CVEARBPZSA-N 1 3 310.486 2.034 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCCN1C ZINC000343160321 403482310 /nfs/dbraw/zinc/48/23/10/403482310.db2.gz WCJTYGKEMTWMSL-CVEARBPZSA-N 1 3 310.486 2.034 20 0 DEADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(C)ccn2)CC1 ZINC000286272360 403486860 /nfs/dbraw/zinc/48/68/60/403486860.db2.gz VJMVEYCXMFEASZ-IRXDYDNUSA-N 1 3 304.482 2.314 20 0 DEADHO CN(CCC[NH+]1CCCC1)C(=O)NCC(C)(C)N1CCCCC1 ZINC000346076545 403573242 /nfs/dbraw/zinc/57/32/42/403573242.db2.gz WOZZELLNHVVDPX-UHFFFAOYSA-N 1 3 324.513 2.378 20 0 DEADHO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000300219924 403582874 /nfs/dbraw/zinc/58/28/74/403582874.db2.gz ZVRPWZWEQLAXEW-SUJAAXHWSA-N 1 3 321.465 2.068 20 0 DEADHO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000300219924 403582879 /nfs/dbraw/zinc/58/28/79/403582879.db2.gz ZVRPWZWEQLAXEW-SUJAAXHWSA-N 1 3 321.465 2.068 20 0 DEADHO Cc1cc(N2CCC([NH2+][C@H](C)[C@@H]3CCCCN3)CC2)nc(C)n1 ZINC000333254909 403708448 /nfs/dbraw/zinc/70/84/48/403708448.db2.gz HRCHBHUATFRKKZ-PBHICJAKSA-N 1 3 317.481 2.182 20 0 DEADHO Cc1cc(N2CCC(N[C@H](C)[C@@H]3CCCC[NH2+]3)CC2)nc(C)n1 ZINC000333254909 403708451 /nfs/dbraw/zinc/70/84/51/403708451.db2.gz HRCHBHUATFRKKZ-PBHICJAKSA-N 1 3 317.481 2.182 20 0 DEADHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@H](O)Cc2ccccc2)C1 ZINC000343725585 403708511 /nfs/dbraw/zinc/70/85/11/403708511.db2.gz VZHURSKXPODHSR-RTBURBONSA-N 1 3 320.477 2.023 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)CCCN1C ZINC000343610587 403661975 /nfs/dbraw/zinc/66/19/75/403661975.db2.gz CYLOCKOJZVFEFG-RHSMWYFYSA-N 1 3 318.465 2.030 20 0 DEADHO CCn1nc(C)c(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1C ZINC000333185121 403687914 /nfs/dbraw/zinc/68/79/14/403687914.db2.gz SSLTZPHAGMDQSI-MSOLQXFVSA-N 1 3 320.481 2.238 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000347392183 403691500 /nfs/dbraw/zinc/69/15/00/403691500.db2.gz QVZUUIRRXFGXTE-DLBZAZTESA-N 1 3 307.482 2.051 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000347392183 403691502 /nfs/dbraw/zinc/69/15/02/403691502.db2.gz QVZUUIRRXFGXTE-DLBZAZTESA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)CNC2 ZINC000347505476 403734052 /nfs/dbraw/zinc/73/40/52/403734052.db2.gz QMIDHLCMGQYCJT-KRWDZBQOSA-N 1 3 301.434 2.284 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc2c(c1)CNC2 ZINC000347505476 403734054 /nfs/dbraw/zinc/73/40/54/403734054.db2.gz QMIDHLCMGQYCJT-KRWDZBQOSA-N 1 3 301.434 2.284 20 0 DEADHO C[C@H]1[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)CCCN1C ZINC000343835688 403752586 /nfs/dbraw/zinc/75/25/86/403752586.db2.gz CZWXMWNCBVWUGY-DLBZAZTESA-N 1 3 324.513 2.425 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000303479916 403755154 /nfs/dbraw/zinc/75/51/54/403755154.db2.gz PPYCJBIQWHRMLS-SJORKVTESA-N 1 3 324.513 2.425 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000303479916 403755159 /nfs/dbraw/zinc/75/51/59/403755159.db2.gz PPYCJBIQWHRMLS-SJORKVTESA-N 1 3 324.513 2.425 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N2CCN(CCC(C)(C)C)CC2)CC[N@@H+]1C ZINC000341207449 403833851 /nfs/dbraw/zinc/83/38/51/403833851.db2.gz SXBYWAIXSQNIBC-HZPDHXFCSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N2CCN(CCC(C)(C)C)CC2)CC[N@H+]1C ZINC000341207449 403833855 /nfs/dbraw/zinc/83/38/55/403833855.db2.gz SXBYWAIXSQNIBC-HZPDHXFCSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000343906508 403785126 /nfs/dbraw/zinc/78/51/26/403785126.db2.gz MKYGPWSUJLNLGG-ZACQAIPSSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000343906508 403785132 /nfs/dbraw/zinc/78/51/32/403785132.db2.gz MKYGPWSUJLNLGG-ZACQAIPSSA-N 1 3 324.513 2.279 20 0 DEADHO Cc1cc(N2CCC(N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)n[nH]1 ZINC000333809954 403870353 /nfs/dbraw/zinc/87/03/53/403870353.db2.gz JCFQEGHPBYPFRH-GVDBMIGSSA-N 1 3 317.481 2.197 20 0 DEADHO CCO[C@@H]1C[C@H](NC[C@H](O)C[NH+]2CCCC2)C12CCCCC2 ZINC000305775452 403938222 /nfs/dbraw/zinc/93/82/22/403938222.db2.gz JXLQLBZGIREKQS-YESZJQIVSA-N 1 3 310.482 2.161 20 0 DEADHO CC[NH+]1CCC(CN[C@H]2CC(=O)N(C)c3ccccc32)CC1 ZINC000314921788 404003818 /nfs/dbraw/zinc/00/38/18/404003818.db2.gz JLZZKBWFABYWRT-INIZCTEOSA-N 1 3 301.434 2.416 20 0 DEADHO CC[NH+]1CCC(CNC(=O)[C@H](C)[C@H](N)c2ccccc2)CC1 ZINC000316593327 404028181 /nfs/dbraw/zinc/02/81/81/404028181.db2.gz OLKIMZPEESMPQT-PBHICJAKSA-N 1 3 303.450 2.171 20 0 DEADHO CC[NH+]1CCC(CNC(=O)[C@@H](C)[C@H](N)c2ccccc2)CC1 ZINC000316593333 404028535 /nfs/dbraw/zinc/02/85/35/404028535.db2.gz OLKIMZPEESMPQT-YOEHRIQHSA-N 1 3 303.450 2.171 20 0 DEADHO C[C@@H]1CN(CC2CC[NH+](CC3(O)CCCC3)CC2)C[C@H](C)O1 ZINC000348281160 404056608 /nfs/dbraw/zinc/05/66/08/404056608.db2.gz JRJODBNKISKGTN-IYBDPMFKSA-N 1 3 310.482 2.113 20 0 DEADHO C[C@H](c1ccccc1)N(C)C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000324510358 404101093 /nfs/dbraw/zinc/10/10/93/404101093.db2.gz UDCSDBKSEXJHJN-NXHRZFHOSA-N 1 3 315.461 2.137 20 0 DEADHO Cc1ccc(NC(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C)c1 ZINC000320636324 404067463 /nfs/dbraw/zinc/06/74/63/404067463.db2.gz GZVUNUOAULLCSY-IYBDPMFKSA-N 1 3 301.434 2.173 20 0 DEADHO Cc1cccc(C)c1NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000320910916 404071278 /nfs/dbraw/zinc/07/12/78/404071278.db2.gz LATQXDCFFJEREW-IYBDPMFKSA-N 1 3 301.434 2.173 20 0 DEADHO Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCN(C3CC3)C2)c(C)c1 ZINC000321072850 404073760 /nfs/dbraw/zinc/07/37/60/404073760.db2.gz PZBWASUTXNQJAR-SJLPKXTDSA-N 1 3 318.461 2.117 20 0 DEADHO Cc1ccc(OC[C@H](O)CNC[C@H]2CC[N@@H+](C3CC3)C2)c(C)c1 ZINC000321072850 404073770 /nfs/dbraw/zinc/07/37/70/404073770.db2.gz PZBWASUTXNQJAR-SJLPKXTDSA-N 1 3 318.461 2.117 20 0 DEADHO Cc1ccc(OC[C@H](O)CNC[C@H]2CC[N@H+](C3CC3)C2)c(C)c1 ZINC000321072850 404073780 /nfs/dbraw/zinc/07/37/80/404073780.db2.gz PZBWASUTXNQJAR-SJLPKXTDSA-N 1 3 318.461 2.117 20 0 DEADHO COC(=O)c1coc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000290343593 404135053 /nfs/dbraw/zinc/13/50/53/404135053.db2.gz FOUWPULFQLRFMM-AWEZNQCLSA-N 1 3 306.406 2.230 20 0 DEADHO c1nnc(C2CC2)n1CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000567344002 292306879 /nfs/dbraw/zinc/30/68/79/292306879.db2.gz PDLTYOFGFOVYTH-HRCADAONSA-N 1 3 303.454 2.056 20 0 DEADHO CCC[NH2+][C@@H](C)C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000296316363 404193071 /nfs/dbraw/zinc/19/30/71/404193071.db2.gz GXDAHBBAPLIVLN-INIZCTEOSA-N 1 3 317.477 2.464 20 0 DEADHO CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000355079968 404203723 /nfs/dbraw/zinc/20/37/23/404203723.db2.gz KAHJIHWKXLLHPX-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000290671146 404266957 /nfs/dbraw/zinc/26/69/57/404266957.db2.gz SSIYEFGXDFFHQH-SFHVURJKSA-N 1 3 315.461 2.210 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[N@H+](C)C1CCCC1)N1CCCCC1 ZINC000355203208 404279899 /nfs/dbraw/zinc/27/98/99/404279899.db2.gz XCGHZTPYSUZIKW-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[N@@H+](C)C1CCCC1)N1CCCCC1 ZINC000355203208 404279907 /nfs/dbraw/zinc/27/99/07/404279907.db2.gz XCGHZTPYSUZIKW-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]([NH2+]C1CC1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000296508745 404282486 /nfs/dbraw/zinc/28/24/86/404282486.db2.gz RKRBJUXDFMGFJA-RHSMWYFYSA-N 1 3 301.434 2.080 20 0 DEADHO C[C@@H]1C[C@@H](C(=O)N2CCN(C3CCC3)C[C@H](C)C2)CC[N@@H+]1C ZINC000344719273 404329972 /nfs/dbraw/zinc/32/99/72/404329972.db2.gz VJLCHWIYWBJYHS-XHSDSOJGSA-N 1 3 307.482 2.050 20 0 DEADHO C[C@@H]1C[C@@H](C(=O)N2CCN(C3CCC3)C[C@H](C)C2)CC[N@H+]1C ZINC000344719273 404329978 /nfs/dbraw/zinc/32/99/78/404329978.db2.gz VJLCHWIYWBJYHS-XHSDSOJGSA-N 1 3 307.482 2.050 20 0 DEADHO C[C@@H]1CCC[C@](CNC(=O)N2CCN(C)CC[C@H]2C)([NH+](C)C)C1 ZINC000355518544 404346910 /nfs/dbraw/zinc/34/69/10/404346910.db2.gz VFRZZFFQLFNBMC-NUJGCVRESA-N 1 3 324.513 2.233 20 0 DEADHO COc1ccc([C@H](C)NCCN2CCC([NH+](C)C)CC2)cc1O ZINC000290793598 404313846 /nfs/dbraw/zinc/31/38/46/404313846.db2.gz UVZDRQSJHOTIGW-AWEZNQCLSA-N 1 3 321.465 2.077 20 0 DEADHO CSC[C@H](O)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000352433428 404368489 /nfs/dbraw/zinc/36/84/89/404368489.db2.gz VJUANGAMAYRPGO-FGTMMUONSA-N 1 3 320.502 2.164 20 0 DEADHO CSC[C@H](O)CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000352433428 404368492 /nfs/dbraw/zinc/36/84/92/404368492.db2.gz VJUANGAMAYRPGO-FGTMMUONSA-N 1 3 320.502 2.164 20 0 DEADHO C[C@H](C[NH+](C)C)NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000350486568 404402629 /nfs/dbraw/zinc/40/26/29/404402629.db2.gz RAVONMILIANNPI-WBVHZDCISA-N 1 3 318.465 2.073 20 0 DEADHO C(CN[C@H]1CCCC[C@@H]1N1CCOCC1)C[NH+]1CCCCC1 ZINC000373068177 404525677 /nfs/dbraw/zinc/52/56/77/404525677.db2.gz DNIJAXAMUSAPHR-ROUUACIJSA-N 1 3 309.498 2.095 20 0 DEADHO CC(C)NC(=O)[C@H](C)N[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000414345596 404584750 /nfs/dbraw/zinc/58/47/50/404584750.db2.gz OYHQLUUFEGOBOY-CABCVRRESA-N 1 3 321.465 2.191 20 0 DEADHO C[C@@H]1CC[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C[C@@H]1C ZINC000414196386 404545868 /nfs/dbraw/zinc/54/58/68/404545868.db2.gz OUFNHMGSGPVEMD-SQNIBIBYSA-N 1 3 323.525 2.197 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)NCC[N@H+](C)C(C)C)c1ccco1 ZINC000352722211 404574317 /nfs/dbraw/zinc/57/43/17/404574317.db2.gz OCAKAJXOIUKINM-GJZGRUSLSA-N 1 3 324.469 2.348 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)NCC[N@@H+](C)C(C)C)c1ccco1 ZINC000352722211 404574320 /nfs/dbraw/zinc/57/43/20/404574320.db2.gz OCAKAJXOIUKINM-GJZGRUSLSA-N 1 3 324.469 2.348 20 0 DEADHO O=C(C1CCN(C2CC2)CC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000365342770 404625146 /nfs/dbraw/zinc/62/51/46/404625146.db2.gz IZZFRCFZMVLAIR-UHFFFAOYSA-N 1 3 319.493 2.338 20 0 DEADHO O=C(C1CCN(C2CC2)CC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000365342770 404625153 /nfs/dbraw/zinc/62/51/53/404625153.db2.gz IZZFRCFZMVLAIR-UHFFFAOYSA-N 1 3 319.493 2.338 20 0 DEADHO CCN1CC[C@H]([NH2+]Cc2ccccc2N2CCN(CC)CC2)C1 ZINC000414546648 404674441 /nfs/dbraw/zinc/67/44/41/404674441.db2.gz UGQVCPFULSKVRC-SFHVURJKSA-N 1 3 316.493 2.012 20 0 DEADHO C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@@H](c1ccccc1)N(C)C ZINC000365612730 404700143 /nfs/dbraw/zinc/70/01/43/404700143.db2.gz YUXAPKDVXMZKEL-WBVHZDCISA-N 1 3 315.461 2.422 20 0 DEADHO CCO[C@@H]1C[C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C12CCCC2 ZINC000374233227 404701581 /nfs/dbraw/zinc/70/15/81/404701581.db2.gz ZGOUWQUJRUFJGU-DLBZAZTESA-N 1 3 323.525 2.340 20 0 DEADHO CC[N@@H+](Cc1ccccc1Cl)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414678385 404707244 /nfs/dbraw/zinc/70/72/44/404707244.db2.gz QPGVPCHZBPZMOG-AWEZNQCLSA-N 1 3 323.868 2.359 20 0 DEADHO CC[N@H+](Cc1ccccc1Cl)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414678385 404707247 /nfs/dbraw/zinc/70/72/47/404707247.db2.gz QPGVPCHZBPZMOG-AWEZNQCLSA-N 1 3 323.868 2.359 20 0 DEADHO Cc1cc(C)n2c(CN3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cnc2n1 ZINC000414773185 404730585 /nfs/dbraw/zinc/73/05/85/404730585.db2.gz DCRWAFOWERDCQQ-CVEARBPZSA-N 1 3 313.449 2.168 20 0 DEADHO [NH3+]C[C@@H]1CN(Cc2cnc3ccccc3c2)CC12CCOCC2 ZINC000414775019 404730849 /nfs/dbraw/zinc/73/08/49/404730849.db2.gz GAYYHPTXZHZFGG-QGZVFWFLSA-N 1 3 311.429 2.422 20 0 DEADHO [NH3+]C[C@@H]1CN(Cc2cccc3cccnc32)CC12CCOCC2 ZINC000414791770 404736731 /nfs/dbraw/zinc/73/67/31/404736731.db2.gz QVYJWAAIBSHOGA-QGZVFWFLSA-N 1 3 311.429 2.422 20 0 DEADHO NC[C@@H]1C[N@H+](Cc2cccc3cccnc32)CC12CCOCC2 ZINC000414791770 404736734 /nfs/dbraw/zinc/73/67/34/404736734.db2.gz QVYJWAAIBSHOGA-QGZVFWFLSA-N 1 3 311.429 2.422 20 0 DEADHO NC[C@@H]1C[N@@H+](Cc2cccc3cccnc32)CC12CCOCC2 ZINC000414791770 404736736 /nfs/dbraw/zinc/73/67/36/404736736.db2.gz QVYJWAAIBSHOGA-QGZVFWFLSA-N 1 3 311.429 2.422 20 0 DEADHO CN1CCC(CC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000365876611 404737952 /nfs/dbraw/zinc/73/79/52/404737952.db2.gz DIUKJWABDRQNEW-WMZOPIPTSA-N 1 3 319.493 2.194 20 0 DEADHO CN1CCC(CC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000365876611 404737956 /nfs/dbraw/zinc/73/79/56/404737956.db2.gz DIUKJWABDRQNEW-WMZOPIPTSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414803252 404739120 /nfs/dbraw/zinc/73/91/20/404739120.db2.gz NKDRMZVDAVNFHV-NTZNESFSSA-N 1 3 315.259 2.141 20 0 DEADHO C[C@H](Cn1cc(Br)cn1)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000414803252 404739123 /nfs/dbraw/zinc/73/91/23/404739123.db2.gz NKDRMZVDAVNFHV-NTZNESFSSA-N 1 3 315.259 2.141 20 0 DEADHO CN(c1ccccc1CNC[C@H]1CCC[NH2+]1)C1CCN(C)CC1 ZINC000414822311 404742368 /nfs/dbraw/zinc/74/23/68/404742368.db2.gz DQRWLOQXVRKMBM-QGZVFWFLSA-N 1 3 316.493 2.059 20 0 DEADHO C[C@H](CC(=O)NCCc1ccccc1)[NH2+]CC1(N)CCCCC1 ZINC000414833347 404744342 /nfs/dbraw/zinc/74/43/42/404744342.db2.gz AJHIZYTZZFKBRS-MRXNPFEDSA-N 1 3 317.477 2.375 20 0 DEADHO Cc1ccc(N2CCC[C@H](N[C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)C2)nn1 ZINC000358127405 404754293 /nfs/dbraw/zinc/75/42/93/404754293.db2.gz JTXCEENGDBGHKR-MXASKKJJSA-N 1 3 317.481 2.072 20 0 DEADHO Cc1ccc(N2CCC[C@H](N[C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)C2)nn1 ZINC000358127405 404754295 /nfs/dbraw/zinc/75/42/95/404754295.db2.gz JTXCEENGDBGHKR-MXASKKJJSA-N 1 3 317.481 2.072 20 0 DEADHO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCC2(C1)CC[NH2+]CC2 ZINC000358501857 404764750 /nfs/dbraw/zinc/76/47/50/404764750.db2.gz UFLBXUHMZUNCBM-NCOADZHNSA-N 1 3 321.509 2.391 20 0 DEADHO CC(C)CN(CC(C)C)C(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358514748 404765060 /nfs/dbraw/zinc/76/50/60/404765060.db2.gz XOBDSJYFLHMXNO-UHFFFAOYSA-N 1 3 309.498 2.203 20 0 DEADHO CN(C)[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1 ZINC000353006673 404718089 /nfs/dbraw/zinc/71/80/89/404718089.db2.gz XMSCUETWLYZJQY-RCCFBDPRSA-N 1 3 315.461 2.041 20 0 DEADHO COC[C@]1(CN[C@@H]2CCN([C@@H](C)c3ccccc3)C2)CCC[NH2+]1 ZINC000414936335 404770434 /nfs/dbraw/zinc/77/04/34/404770434.db2.gz BZNODVYAIOHAIO-QXAKKESOSA-N 1 3 317.477 2.180 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(CCc3ccccc3)CC2)CCN1 ZINC000414957723 404776254 /nfs/dbraw/zinc/77/62/54/404776254.db2.gz WJTDXMYGZFIWQH-APWZRJJASA-N 1 3 301.478 2.424 20 0 DEADHO CCn1nc(CNCC2(COC)CC[NH2+]CC2)c2ccccc21 ZINC000414983634 404781216 /nfs/dbraw/zinc/78/12/16/404781216.db2.gz ZINSOJJYRFCRFS-UHFFFAOYSA-N 1 3 316.449 2.162 20 0 DEADHO [NH3+]C[C@H]1CC[C@H](CNCc2nccn2CC(F)(F)F)CC1 ZINC000415022774 404789407 /nfs/dbraw/zinc/78/94/07/404789407.db2.gz JMNVBLAQOQTERL-HAQNSBGRSA-N 1 3 304.360 2.300 20 0 DEADHO COc1cc(Br)c(CN[C@H](C)CCC[NH3+])cc1O ZINC000415027997 404790934 /nfs/dbraw/zinc/79/09/34/404790934.db2.gz XQNUPWCWFXVWBX-SECBINFHSA-N 1 3 317.227 2.380 20 0 DEADHO [NH3+]C[C@@H]1CC[C@@H](NCc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC000415046882 404795426 /nfs/dbraw/zinc/79/54/26/404795426.db2.gz VMGRBASXFCZWMV-GHMZBOCLSA-N 1 3 323.803 2.277 20 0 DEADHO COc1ccc(-n2ccc(CNC[C@H]3CC[NH2+][C@@H](C)C3)n2)cc1 ZINC000415097726 404807169 /nfs/dbraw/zinc/80/71/69/404807169.db2.gz DFAVGOVECCIUCP-GJZGRUSLSA-N 1 3 314.433 2.359 20 0 DEADHO CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000353467803 404838368 /nfs/dbraw/zinc/83/83/68/404838368.db2.gz AHVMBFAOGUKNFU-UAGQMJEPSA-N 1 3 303.450 2.312 20 0 DEADHO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000353435249 404830917 /nfs/dbraw/zinc/83/09/17/404830917.db2.gz FBORQEMLRDQLNJ-ABFRBSLYSA-N 1 3 303.450 2.312 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000353457858 404835893 /nfs/dbraw/zinc/83/58/93/404835893.db2.gz IFNJOPFRBABJPO-GQGLESIBSA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)N(C)CC(C)(C)C[NH3+] ZINC000415561685 404884453 /nfs/dbraw/zinc/88/44/53/404884453.db2.gz GLMIBXFAYGHNCL-UHFFFAOYSA-N 1 3 306.454 2.239 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000415566031 404885370 /nfs/dbraw/zinc/88/53/70/404885370.db2.gz IPBRXVWEDUUTPE-HNNXBMFYSA-N 1 3 304.438 2.053 20 0 DEADHO C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000415572788 404887047 /nfs/dbraw/zinc/88/70/47/404887047.db2.gz NOQRCEZDTAMCSG-UONOGXRCSA-N 1 3 304.438 2.005 20 0 DEADHO Cc1nc([C@H](C)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cs1 ZINC000378198083 404888962 /nfs/dbraw/zinc/88/89/62/404888962.db2.gz CPPOPIOGKDEVMW-GXTWGEPZSA-N 1 3 308.495 2.271 20 0 DEADHO Cc1nc([C@H](C)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cs1 ZINC000378198083 404888970 /nfs/dbraw/zinc/88/89/70/404888970.db2.gz CPPOPIOGKDEVMW-GXTWGEPZSA-N 1 3 308.495 2.271 20 0 DEADHO Cc1ccccc1CN1CCCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000378205000 404892434 /nfs/dbraw/zinc/89/24/34/404892434.db2.gz XRCRHKYRXZSNCB-SFHVURJKSA-N 1 3 315.461 2.171 20 0 DEADHO CC[NH+]1CCC(Nc2cccc(CN3CC[C@@H](O)C3)c2)CC1 ZINC000361052929 404895939 /nfs/dbraw/zinc/89/59/39/404895939.db2.gz PMPOEORCHKTKGZ-GOSISDBHSA-N 1 3 303.450 2.149 20 0 DEADHO COC[C@]1(C)CCN(C[C@@H](C)C[N@@H+]2CC[C@](C)(COC)C2)C1 ZINC000451203910 404900100 /nfs/dbraw/zinc/90/01/00/404900100.db2.gz RWIBNIXICZWVOA-NNZMDNLPSA-N 1 3 312.498 2.339 20 0 DEADHO COC[C@]1(C)CCN(C[C@@H](C)C[N@H+]2CC[C@](C)(COC)C2)C1 ZINC000451203910 404900103 /nfs/dbraw/zinc/90/01/03/404900103.db2.gz RWIBNIXICZWVOA-NNZMDNLPSA-N 1 3 312.498 2.339 20 0 DEADHO COC[C@]1(C)CC[N@@H+](C[C@@H](C)CN2CC[C@](C)(COC)C2)C1 ZINC000451203910 404900108 /nfs/dbraw/zinc/90/01/08/404900108.db2.gz RWIBNIXICZWVOA-NNZMDNLPSA-N 1 3 312.498 2.339 20 0 DEADHO COC[C@]1(C)CC[N@H+](C[C@@H](C)CN2CC[C@](C)(COC)C2)C1 ZINC000451203910 404900114 /nfs/dbraw/zinc/90/01/14/404900114.db2.gz RWIBNIXICZWVOA-NNZMDNLPSA-N 1 3 312.498 2.339 20 0 DEADHO C[C@H](C(=O)Nc1cnc2c(c1)CNCC2)[C@H]([NH3+])c1ccccc1 ZINC000378404257 404954900 /nfs/dbraw/zinc/95/49/00/404954900.db2.gz OVEQJTAIZUKXJX-SJCJKPOMSA-N 1 3 310.401 2.002 20 0 DEADHO CCN(C)CCNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000367199657 404961884 /nfs/dbraw/zinc/96/18/84/404961884.db2.gz LBMMQIBRYGZJKJ-INIZCTEOSA-N 1 3 310.486 2.034 20 0 DEADHO CCN(C)CCNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000367199657 404961886 /nfs/dbraw/zinc/96/18/86/404961886.db2.gz LBMMQIBRYGZJKJ-INIZCTEOSA-N 1 3 310.486 2.034 20 0 DEADHO CCOC1CC(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)C1 ZINC000367211306 404966597 /nfs/dbraw/zinc/96/65/97/404966597.db2.gz KLSSJSRYKCWQHJ-UHFFFAOYSA-N 1 3 323.525 2.151 20 0 DEADHO CC(C)[C@H]([NH3+])CNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000416781050 404907810 /nfs/dbraw/zinc/90/78/10/404907810.db2.gz DIXJFQRLXUYUQK-IAGOWNOFSA-N 1 3 318.465 2.106 20 0 DEADHO C[C@@H](CC(=O)Nc1ccc2c(c1)CNCCO2)[C@H]1CCC[NH2+]C1 ZINC000361093890 404912974 /nfs/dbraw/zinc/91/29/74/404912974.db2.gz DEHSQASUPHTGBO-KBPBESRZSA-N 1 3 317.433 2.133 20 0 DEADHO CCC[C@@H]1CNCCN1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000416799901 404916217 /nfs/dbraw/zinc/91/62/17/404916217.db2.gz DYUBSXDBXASFQH-IAGOWNOFSA-N 1 3 318.465 2.073 20 0 DEADHO CCC[C@@H]1CNCCN1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000416799901 404916221 /nfs/dbraw/zinc/91/62/21/404916221.db2.gz DYUBSXDBXASFQH-IAGOWNOFSA-N 1 3 318.465 2.073 20 0 DEADHO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000434700319 404925468 /nfs/dbraw/zinc/92/54/68/404925468.db2.gz SWEIRWMLVLSBTA-UONOGXRCSA-N 1 3 310.401 2.070 20 0 DEADHO C[C@H](C(=O)NCC1CC[NH+](C2CC2)CC1)[C@H](N)c1ccccc1 ZINC000423911615 404925880 /nfs/dbraw/zinc/92/58/80/404925880.db2.gz ITNKYWXVXPBIEF-KSSFIOAISA-N 1 3 315.461 2.313 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCC(C)(C)N1CCCCC1 ZINC000416834286 404927849 /nfs/dbraw/zinc/92/78/49/404927849.db2.gz RZFGFRQSFHHXGU-LSDHHAIUSA-N 1 3 310.486 2.162 20 0 DEADHO CCN(CC)[C@H](CNC(=O)NCCCC[NH3+])c1ccccc1 ZINC000416834524 404927885 /nfs/dbraw/zinc/92/78/85/404927885.db2.gz DQILFFYFAHCGMN-MRXNPFEDSA-N 1 3 306.454 2.108 20 0 DEADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000416855394 404938129 /nfs/dbraw/zinc/93/81/29/404938129.db2.gz YBQQIFOCJISZDE-LSDHHAIUSA-N 1 3 310.486 2.033 20 0 DEADHO CC[NH2+]Cc1cccc(NC(=O)N(C)CCN(C)C2CC2)c1 ZINC000415917059 404971293 /nfs/dbraw/zinc/97/12/93/404971293.db2.gz JGMJLAMEZUTLTO-UHFFFAOYSA-N 1 3 304.438 2.354 20 0 DEADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc2c(c1)CNC2 ZINC000416001434 405002130 /nfs/dbraw/zinc/00/21/30/405002130.db2.gz YWZMQEFSDXAOCC-SJORKVTESA-N 1 3 314.433 2.380 20 0 DEADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc2c(c1)CNC2 ZINC000416001434 405002131 /nfs/dbraw/zinc/00/21/31/405002131.db2.gz YWZMQEFSDXAOCC-SJORKVTESA-N 1 3 314.433 2.380 20 0 DEADHO C[C@@H](CCNC(=O)[C@H](C)NC1CC1)[N@H+](C)Cc1ccccc1 ZINC000379669910 405027985 /nfs/dbraw/zinc/02/79/85/405027985.db2.gz HUKBFERNXWMTSM-GJZGRUSLSA-N 1 3 303.450 2.154 20 0 DEADHO C[C@@H](CCNC(=O)[C@H](C)NC1CC1)[N@@H+](C)Cc1ccccc1 ZINC000379669910 405027991 /nfs/dbraw/zinc/02/79/91/405027991.db2.gz HUKBFERNXWMTSM-GJZGRUSLSA-N 1 3 303.450 2.154 20 0 DEADHO C[C@@H](NC1CC1)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000379669912 405028003 /nfs/dbraw/zinc/02/80/03/405028003.db2.gz HUKBFERNXWMTSM-LSDHHAIUSA-N 1 3 303.450 2.154 20 0 DEADHO C[C@@H](NC1CC1)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000379669912 405028009 /nfs/dbraw/zinc/02/80/09/405028009.db2.gz HUKBFERNXWMTSM-LSDHHAIUSA-N 1 3 303.450 2.154 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000379665418 405028616 /nfs/dbraw/zinc/02/86/16/405028616.db2.gz SNKAOWOFQOPITG-ROUUACIJSA-N 1 3 317.477 2.388 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000382716646 405032127 /nfs/dbraw/zinc/03/21/27/405032127.db2.gz FJLJDZOYUXYRDX-WMZOPIPTSA-N 1 3 317.477 2.340 20 0 DEADHO CC[NH2+]Cc1cccc(NC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c1 ZINC000415923860 404972792 /nfs/dbraw/zinc/97/27/92/404972792.db2.gz VRIDOBRJMMUKQX-WBVHZDCISA-N 1 3 316.449 2.354 20 0 DEADHO C[NH2+]Cc1cccc(NC(=O)N2CCN(C3CCCC3)CC2)c1 ZINC000415926295 404974202 /nfs/dbraw/zinc/97/42/02/404974202.db2.gz DBAVQISMZDJQIY-UHFFFAOYSA-N 1 3 316.449 2.498 20 0 DEADHO COC(=O)COc1c(C)cc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)cc1C ZINC000435374122 404975114 /nfs/dbraw/zinc/97/51/14/404975114.db2.gz HIGGRXWFRZHLAX-GDBMZVCRSA-N 1 3 320.433 2.024 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000424039186 404979775 /nfs/dbraw/zinc/97/97/75/404979775.db2.gz JONKPIZLDDZMJP-CPUCHLNUSA-N 1 3 307.482 2.096 20 0 DEADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)NC[C@@H](O)C[NH+](C)C ZINC000361233382 404985089 /nfs/dbraw/zinc/98/50/89/404985089.db2.gz XDJJJBKJJCTRMA-FRRDWIJNSA-N 1 3 307.463 2.300 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)CC1 ZINC000451419363 404987139 /nfs/dbraw/zinc/98/71/39/404987139.db2.gz KZYCQMPNUPJDIF-IPMKNSEASA-N 1 3 323.525 2.028 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)CC1 ZINC000451419363 404987143 /nfs/dbraw/zinc/98/71/43/404987143.db2.gz KZYCQMPNUPJDIF-IPMKNSEASA-N 1 3 323.525 2.028 20 0 DEADHO CN(C)CCN(Cc1ccco1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415973291 404990244 /nfs/dbraw/zinc/99/02/44/404990244.db2.gz JLOJKIYISCOLLZ-UHFFFAOYSA-N 1 3 316.405 2.334 20 0 DEADHO C[NH2+]Cc1ccc(NC(=O)N2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000415974811 404990483 /nfs/dbraw/zinc/99/04/83/404990483.db2.gz RMCDDWLXWXXQAZ-QGZVFWFLSA-N 1 3 316.449 2.498 20 0 DEADHO CN(CCC(=O)Nc1cc(F)cc(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435621377 404997102 /nfs/dbraw/zinc/99/71/02/404997102.db2.gz KUUMKNJAINTEDK-OAHLLOKOSA-N 1 3 311.376 2.367 20 0 DEADHO CCCN(C(=O)NC[C@H](C)N1CCC[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000417009038 404999246 /nfs/dbraw/zinc/99/92/46/404999246.db2.gz JTTMDDTYZBQVEF-CVEARBPZSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)NCC[NH2+]C1CCCCCC1 ZINC000417013387 405001156 /nfs/dbraw/zinc/00/11/56/405001156.db2.gz CAAWPAGXLQFCSX-INIZCTEOSA-N 1 3 324.513 2.472 20 0 DEADHO C[C@H](C[NH3+])CNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000417740736 405095278 /nfs/dbraw/zinc/09/52/78/405095278.db2.gz SCRIKYZWJBQJJK-IPYPFGDCSA-N 1 3 324.494 2.025 20 0 DEADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc3c[nH]nc3c2)C1 ZINC000354088262 405039060 /nfs/dbraw/zinc/03/90/60/405039060.db2.gz NBUHLOFHSHWUDA-KRWDZBQOSA-N 1 3 316.449 2.496 20 0 DEADHO C[C@@H](NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)c1cccs1 ZINC000424283781 405058119 /nfs/dbraw/zinc/05/81/19/405058119.db2.gz CBDXHPKQGKDHKW-ZIAGYGMSSA-N 1 3 321.490 2.389 20 0 DEADHO [NH3+]C[C@H](CN1CCC(c2ncc[nH]2)CC1)c1ccc(F)cc1 ZINC000424305222 405065010 /nfs/dbraw/zinc/06/50/10/405065010.db2.gz RTMSXRDYEFDNLD-OAHLLOKOSA-N 1 3 302.397 2.471 20 0 DEADHO NC[C@H](C[NH+]1CCC(c2ncc[nH]2)CC1)c1ccc(F)cc1 ZINC000424305222 405065014 /nfs/dbraw/zinc/06/50/14/405065014.db2.gz RTMSXRDYEFDNLD-OAHLLOKOSA-N 1 3 302.397 2.471 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000361426580 405070001 /nfs/dbraw/zinc/07/00/01/405070001.db2.gz SQQTZVHLTMUFIY-IRXDYDNUSA-N 1 3 324.513 2.425 20 0 DEADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000418120763 405113168 /nfs/dbraw/zinc/11/31/68/405113168.db2.gz WDIMGTMSHFVRRO-HOTGVXAUSA-N 1 3 310.486 2.018 20 0 DEADHO CN(CCN1CCCC1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361529273 405116559 /nfs/dbraw/zinc/11/65/59/405116559.db2.gz XDGGDVUDEUERCE-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO CN(CCN1CCCC1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361529273 405116563 /nfs/dbraw/zinc/11/65/63/405116563.db2.gz XDGGDVUDEUERCE-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO CN(C)CCN(C(=O)N[C@@H](C[NH3+])C1CCCC1)C1CCCC1 ZINC000418608719 405138420 /nfs/dbraw/zinc/13/84/20/405138420.db2.gz BPJJGBFXKBJVOT-INIZCTEOSA-N 1 3 310.486 2.020 20 0 DEADHO CN(C)CCN(C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)C1CCCC1 ZINC000418662751 405157172 /nfs/dbraw/zinc/15/71/72/405157172.db2.gz DUMGPSZGEPRLRD-WKILWMFISA-N 1 3 324.513 2.267 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000368029779 405219636 /nfs/dbraw/zinc/21/96/36/405219636.db2.gz PQTSZBXPKAGLDM-GOSISDBHSA-N 1 3 324.513 2.236 20 0 DEADHO Cc1cc([C@@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cs1 ZINC000453104494 405284249 /nfs/dbraw/zinc/28/42/49/405284249.db2.gz UHQKBDQSPAIQGI-ZIAGYGMSSA-N 1 3 309.479 2.295 20 0 DEADHO COC[C@H](O)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453127218 405285414 /nfs/dbraw/zinc/28/54/14/405285414.db2.gz RGAGUKKHJYTDQK-HCXYKTFWSA-N 1 3 318.461 2.027 20 0 DEADHO COC[C@H](O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453127218 405285417 /nfs/dbraw/zinc/28/54/17/405285417.db2.gz RGAGUKKHJYTDQK-HCXYKTFWSA-N 1 3 318.461 2.027 20 0 DEADHO C[C@H](CC(N)=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453138330 405286546 /nfs/dbraw/zinc/28/65/46/405286546.db2.gz JAYDAUDOXPKELH-DDBAPUKQSA-N 1 3 315.461 2.283 20 0 DEADHO C[C@H](CC(N)=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453138330 405286547 /nfs/dbraw/zinc/28/65/47/405286547.db2.gz JAYDAUDOXPKELH-DDBAPUKQSA-N 1 3 315.461 2.283 20 0 DEADHO C[C@@H]1C[N@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)[C@@H](C)[C@H]1C ZINC000419328826 405239733 /nfs/dbraw/zinc/23/97/33/405239733.db2.gz AKDRQCLGXLKWKT-MUQADHOPSA-N 1 3 317.477 2.382 20 0 DEADHO C[C@@H]1C[N@@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)[C@@H](C)[C@H]1C ZINC000419328826 405239735 /nfs/dbraw/zinc/23/97/35/405239735.db2.gz AKDRQCLGXLKWKT-MUQADHOPSA-N 1 3 317.477 2.382 20 0 DEADHO CC1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000438547236 405250023 /nfs/dbraw/zinc/25/00/23/405250023.db2.gz RUHQPECNNRFAKG-QGZVFWFLSA-N 1 3 307.482 2.242 20 0 DEADHO CC1CCN(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000438547236 405250025 /nfs/dbraw/zinc/25/00/25/405250025.db2.gz RUHQPECNNRFAKG-QGZVFWFLSA-N 1 3 307.482 2.242 20 0 DEADHO CN(CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000420298474 405310528 /nfs/dbraw/zinc/31/05/28/405310528.db2.gz HELYEPKOYZWWOW-WMLDXEAASA-N 1 3 319.424 2.253 20 0 DEADHO c1ccc(OCCN2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000420298782 405310555 /nfs/dbraw/zinc/31/05/55/405310555.db2.gz HSEOFBIIEITPAI-SFHVURJKSA-N 1 3 317.477 2.073 20 0 DEADHO Cc1ccc2oc(N3CCN(CC[C@H]4CC[NH2+]C4)CC3)nc2c1 ZINC000420309250 405313728 /nfs/dbraw/zinc/31/37/28/405313728.db2.gz DTNDISWGMDBKIN-OAHLLOKOSA-N 1 3 314.433 2.258 20 0 DEADHO CCO[C@H]1C[C@@H]([N@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)C1(C)C ZINC000420312334 405315400 /nfs/dbraw/zinc/31/54/00/405315400.db2.gz WTALKGXARJTTEF-FJIDUMEYSA-N 1 3 320.477 2.053 20 0 DEADHO CCO[C@H]1C[C@@H]([N@@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)C1(C)C ZINC000420312334 405315402 /nfs/dbraw/zinc/31/54/02/405315402.db2.gz WTALKGXARJTTEF-FJIDUMEYSA-N 1 3 320.477 2.053 20 0 DEADHO CCO[C@H]1C[C@@H](N(C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1(C)C ZINC000420312334 405315403 /nfs/dbraw/zinc/31/54/03/405315403.db2.gz WTALKGXARJTTEF-FJIDUMEYSA-N 1 3 320.477 2.053 20 0 DEADHO CCOc1ccccc1NC(=O)CCN(C)[C@@H]1CCC[NH2+]CC1 ZINC000420319234 405317954 /nfs/dbraw/zinc/31/79/54/405317954.db2.gz XOFWHLFYTWOTBC-OAHLLOKOSA-N 1 3 319.449 2.488 20 0 DEADHO CCN(C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)C1CCCCC1 ZINC000420335424 405323786 /nfs/dbraw/zinc/32/37/86/405323786.db2.gz HIOWNQLEMNHOHE-IRXDYDNUSA-N 1 3 321.509 2.489 20 0 DEADHO NC[C@@H]1C[N@H+](C[C@@H]2CCCC(F)(F)C2)CC12CCOCC2 ZINC000420334289 405323983 /nfs/dbraw/zinc/32/39/83/405323983.db2.gz UDEAJKXRFAILCU-ZIAGYGMSSA-N 1 3 302.409 2.499 20 0 DEADHO NC[C@@H]1C[N@@H+](C[C@@H]2CCCC(F)(F)C2)CC12CCOCC2 ZINC000420334289 405323985 /nfs/dbraw/zinc/32/39/85/405323985.db2.gz UDEAJKXRFAILCU-ZIAGYGMSSA-N 1 3 302.409 2.499 20 0 DEADHO C[C@H](C(=O)NCc1ccccc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420339041 405325196 /nfs/dbraw/zinc/32/51/96/405325196.db2.gz LPHHCXGBLQUTMD-KBAYOESNSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@H](C(=O)NC1CCCCC1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420340614 405325432 /nfs/dbraw/zinc/32/54/32/405325432.db2.gz MWQFUYOQGJEQIN-BZUAXINKSA-N 1 3 307.482 2.145 20 0 DEADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCOc2cccc(F)c2)CC1 ZINC000420343637 405326363 /nfs/dbraw/zinc/32/63/63/405326363.db2.gz WXVUOXZRKCSQAV-SJORKVTESA-N 1 3 308.397 2.033 20 0 DEADHO CC[C@H]1CCCCN1C(=O)[C@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420345137 405326909 /nfs/dbraw/zinc/32/69/09/405326909.db2.gz VISUUUBBFPCOPN-NXOAAHMSSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H](C(=O)NC1CCC(C)CC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420347883 405328063 /nfs/dbraw/zinc/32/80/63/405328063.db2.gz ZSJJIFVSWJMWBK-LHJGCZIBSA-N 1 3 307.482 2.001 20 0 DEADHO Cc1nc(N2CCN(CC[C@H]3CCC[NH2+]C3)CC2)sc1C ZINC000420356179 405329849 /nfs/dbraw/zinc/32/98/49/405329849.db2.gz FZGFNCLRDCHRAW-OAHLLOKOSA-N 1 3 308.495 2.272 20 0 DEADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(CCOc2ccccc2F)CC1 ZINC000420373339 405336353 /nfs/dbraw/zinc/33/63/53/405336353.db2.gz GFIOPZCZELOWCG-WMZOPIPTSA-N 1 3 322.424 2.423 20 0 DEADHO Cc1ncsc1CCN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420383949 405339922 /nfs/dbraw/zinc/33/99/22/405339922.db2.gz QXNQTPZHIGZGLX-ZBFHGGJFSA-N 1 3 309.479 2.212 20 0 DEADHO Cc1cccc(OCCN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000420394327 405342386 /nfs/dbraw/zinc/34/23/86/405342386.db2.gz ZSCKPIGENJAPKX-MSOLQXFVSA-N 1 3 316.445 2.074 20 0 DEADHO [NH3+]CC1(O)CCN(CCCOc2ccc3ccccc3c2)CC1 ZINC000420407148 405345377 /nfs/dbraw/zinc/34/53/77/405345377.db2.gz TVNLLRFCYSLIOR-UHFFFAOYSA-N 1 3 314.429 2.394 20 0 DEADHO C[C@@H]1CCN(CCC(=O)NCc2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000420408195 405345960 /nfs/dbraw/zinc/34/59/60/405345960.db2.gz PEXJEGRTLCYWNN-HIFRSBDPSA-N 1 3 323.868 2.263 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N(C)C[C@@H]1CCCN1C ZINC000420786525 405383890 /nfs/dbraw/zinc/38/38/90/405383890.db2.gz JBTDRIJAPRDBPW-INIZCTEOSA-N 1 3 312.502 2.234 20 0 DEADHO O=C([C@@H]1CCCN1C1CC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000427061524 405387476 /nfs/dbraw/zinc/38/74/76/405387476.db2.gz LZYUVOCVMOXFEV-QGTPRVQTSA-N 1 3 317.477 2.089 20 0 DEADHO O=C([C@@H]1CCCN1C1CC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000427061524 405387478 /nfs/dbraw/zinc/38/74/78/405387478.db2.gz LZYUVOCVMOXFEV-QGTPRVQTSA-N 1 3 317.477 2.089 20 0 DEADHO C[NH+](C)C1CCC(NC(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000420842285 405394016 /nfs/dbraw/zinc/39/40/16/405394016.db2.gz PZFVVJXCHHDWLR-DQPZFDDXSA-N 1 3 322.497 2.175 20 0 DEADHO CCN(Cc1ccc(C(=O)N2CCC[C@H]2C[NH2+]C)cc1)C1CC1 ZINC000429520722 405434026 /nfs/dbraw/zinc/43/40/26/405434026.db2.gz LXMGOXMLEDXOBP-SFHVURJKSA-N 1 3 315.461 2.495 20 0 DEADHO C[N@H+](CCCCNC(=O)N1CC[C@H](N2CCCCC2)C1)C1CC1 ZINC000455620133 405436102 /nfs/dbraw/zinc/43/61/02/405436102.db2.gz SAJUUSTZUDHNNC-KRWDZBQOSA-N 1 3 322.497 2.131 20 0 DEADHO C[N@@H+](CCCCNC(=O)N1CC[C@H](N2CCCCC2)C1)C1CC1 ZINC000455620133 405436104 /nfs/dbraw/zinc/43/61/04/405436104.db2.gz SAJUUSTZUDHNNC-KRWDZBQOSA-N 1 3 322.497 2.131 20 0 DEADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000430559991 405457122 /nfs/dbraw/zinc/45/71/22/405457122.db2.gz VCDFBHZUQBHSIR-VXGBXAGGSA-N 1 3 311.376 2.353 20 0 DEADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC2(CC(N)=O)CC2)CC1 ZINC000421347127 405466455 /nfs/dbraw/zinc/46/64/55/405466455.db2.gz BHNVYBYLXWIJEZ-GOEBONIOSA-N 1 3 307.482 2.275 20 0 DEADHO C[C@H]1CCCC[C@H]1N1CCC([NH2+]CC2(CC(N)=O)CC2)CC1 ZINC000421347127 405466457 /nfs/dbraw/zinc/46/64/57/405466457.db2.gz BHNVYBYLXWIJEZ-GOEBONIOSA-N 1 3 307.482 2.275 20 0 DEADHO COc1cccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2[C@H](C)N)c1 ZINC000430614369 405467784 /nfs/dbraw/zinc/46/77/84/405467784.db2.gz YVGHSFDNNYNASJ-XJKSGUPXSA-N 1 3 305.422 2.226 20 0 DEADHO COc1cccc(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@H](C)N)c1 ZINC000430614369 405467788 /nfs/dbraw/zinc/46/77/88/405467788.db2.gz YVGHSFDNNYNASJ-XJKSGUPXSA-N 1 3 305.422 2.226 20 0 DEADHO C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CCC(C[NH3+])CC1 ZINC000430635899 405474026 /nfs/dbraw/zinc/47/40/26/405474026.db2.gz WXWDAZHTYPHRBO-GFCCVEGCSA-N 1 3 309.841 2.015 20 0 DEADHO C[C@H](CC(=O)NCCN1[C@H](C)CCC[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000430889785 405521459 /nfs/dbraw/zinc/52/14/59/405521459.db2.gz PSYTWJJIVBZOSR-NCOADZHNSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000430892408 405522561 /nfs/dbraw/zinc/52/25/61/405522561.db2.gz DWGLPHOOISEMTQ-JJTUDDRGSA-N 1 3 307.482 2.286 20 0 DEADHO O=C1C[C@H](NC[C@H]2CCC[N@@H+]2CC2CCCCC2)CCCN1 ZINC000638522174 405525147 /nfs/dbraw/zinc/52/51/47/405525147.db2.gz NVMBSPCDIFVLRS-IAGOWNOFSA-N 1 3 307.482 2.289 20 0 DEADHO O=C1C[C@H](NC[C@H]2CCC[N@H+]2CC2CCCCC2)CCCN1 ZINC000638522174 405525150 /nfs/dbraw/zinc/52/51/50/405525150.db2.gz NVMBSPCDIFVLRS-IAGOWNOFSA-N 1 3 307.482 2.289 20 0 DEADHO C[C@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](c1ccccc1)N(C)C ZINC000635810064 405525172 /nfs/dbraw/zinc/52/51/72/405525172.db2.gz FOHJLEOXKKAIPA-GOEBONIOSA-N 1 3 303.450 2.136 20 0 DEADHO C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC([C@H](C)[NH3+])CC1 ZINC000430936562 405534738 /nfs/dbraw/zinc/53/47/38/405534738.db2.gz ZPPKGUIOVKFIEQ-LSDHHAIUSA-N 1 3 303.450 2.093 20 0 DEADHO [NH3+]C[C@H]1CCN(CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000430939330 405537011 /nfs/dbraw/zinc/53/70/11/405537011.db2.gz KTVBQNLXGMNGKF-LLVKDONJSA-N 1 3 306.797 2.213 20 0 DEADHO Cc1ccccc1C[C@H](C)NCc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000577947485 405542150 /nfs/dbraw/zinc/54/21/50/405542150.db2.gz HBERZDNOUUPTBZ-AWEZNQCLSA-N 1 3 313.449 2.301 20 0 DEADHO C[NH2+]CC1CCN([C@H](C)C(=O)N(C)Cc2ccccc2C)CC1 ZINC000430953187 405543086 /nfs/dbraw/zinc/54/30/86/405543086.db2.gz SLDPMBNIKZFSER-MRXNPFEDSA-N 1 3 317.477 2.273 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]CCC(C)(C)CO)CC1 ZINC000449408444 405549541 /nfs/dbraw/zinc/54/95/41/405549541.db2.gz NRCXCSCLRVQVKH-UHFFFAOYSA-N 1 3 319.493 2.327 20 0 DEADHO CC[C@H]([NH2+]Cc1ccccc1N(C)C1CCN(C)CC1)[C@H](C)O ZINC000449542593 405606094 /nfs/dbraw/zinc/60/60/94/405606094.db2.gz MWENOBOQXSDXOX-YJBOKZPZSA-N 1 3 319.493 2.466 20 0 DEADHO C[C@H]([NH3+])[C@H](C)NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000449600287 405634159 /nfs/dbraw/zinc/63/41/59/405634159.db2.gz JIQVTCIRUKBHFH-JYJNAYRXSA-N 1 3 317.477 2.182 20 0 DEADHO [NH3+][C@H]1CCCCC[C@@H]1NCc1ccccc1CN1CCOCC1 ZINC000568617195 292354313 /nfs/dbraw/zinc/35/43/13/292354313.db2.gz UYDJKVLZUDUYMJ-OALUTQOASA-N 1 3 317.477 2.268 20 0 DEADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000568617195 292354314 /nfs/dbraw/zinc/35/43/14/292354314.db2.gz UYDJKVLZUDUYMJ-OALUTQOASA-N 1 3 317.477 2.268 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000431062042 405569535 /nfs/dbraw/zinc/56/95/35/405569535.db2.gz NGMYVSGZTXHEMQ-HYVNUMGLSA-N 1 3 301.434 2.080 20 0 DEADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000449528344 405598520 /nfs/dbraw/zinc/59/85/20/405598520.db2.gz OUFGAIZWSMSXDX-HOTGVXAUSA-N 1 3 303.450 2.014 20 0 DEADHO CN(C)CCC[N@H+](C)Cc1ccc(Cl)cc1-n1cncn1 ZINC000557524852 405603278 /nfs/dbraw/zinc/60/32/78/405603278.db2.gz FNHIFTGMJRMVIE-UHFFFAOYSA-N 1 3 307.829 2.304 20 0 DEADHO CN(C)CCC[N@@H+](C)Cc1ccc(Cl)cc1-n1cncn1 ZINC000557524852 405603286 /nfs/dbraw/zinc/60/32/86/405603286.db2.gz FNHIFTGMJRMVIE-UHFFFAOYSA-N 1 3 307.829 2.304 20 0 DEADHO COCCN(C)CC[C@H](N[C@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000422713405 405675141 /nfs/dbraw/zinc/67/51/41/405675141.db2.gz JQVLIBWQTBSQCS-QRQLOZEOSA-N 1 3 319.493 2.284 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@H]1NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000422713525 405675574 /nfs/dbraw/zinc/67/55/74/405675574.db2.gz HOXXDNOCNIYDLW-RDTXWAMCSA-N 1 3 305.441 2.378 20 0 DEADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1N1CCOCC1 ZINC000422691451 405675789 /nfs/dbraw/zinc/67/57/89/405675789.db2.gz IHDZAQSCMJBEBQ-IAGOWNOFSA-N 1 3 303.450 2.273 20 0 DEADHO CC[C@H](C)[C@H](O)CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422712005 405676340 /nfs/dbraw/zinc/67/63/40/405676340.db2.gz NPGGTFMPZMLDLB-ZDRJDWQYSA-N 1 3 304.434 2.239 20 0 DEADHO COCCN(C)CC[C@@H](N[C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422722821 405676617 /nfs/dbraw/zinc/67/66/17/405676617.db2.gz YXMKHJCVANFLST-QXAKKESOSA-N 1 3 319.493 2.426 20 0 DEADHO O=C1CCCCN1CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000422864769 405689965 /nfs/dbraw/zinc/68/99/65/405689965.db2.gz VYTCFSCKMUAQAM-GVDBMIGSSA-N 1 3 307.482 2.289 20 0 DEADHO O=C1CCCCN1CCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422864769 405689971 /nfs/dbraw/zinc/68/99/71/405689971.db2.gz VYTCFSCKMUAQAM-GVDBMIGSSA-N 1 3 307.482 2.289 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000423066376 405698726 /nfs/dbraw/zinc/69/87/26/405698726.db2.gz WTYAQHUVQFHSBJ-MNEFBYGVSA-N 1 3 301.478 2.485 20 0 DEADHO CCC[C@](C)(O)CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422979411 405693527 /nfs/dbraw/zinc/69/35/27/405693527.db2.gz MQHSCBIZMYLPQT-RYQLBKOJSA-N 1 3 304.434 2.383 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@H]1CCCN(c2ccccc2F)C1 ZINC000423013692 405695797 /nfs/dbraw/zinc/69/57/97/405695797.db2.gz NHUZWVPSAMXMTK-QBYUYEEZSA-N 1 3 321.440 2.136 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+][C@H]1CCCN(c2ccccc2F)C1 ZINC000423013692 405695800 /nfs/dbraw/zinc/69/58/00/405695800.db2.gz NHUZWVPSAMXMTK-QBYUYEEZSA-N 1 3 321.440 2.136 20 0 DEADHO Cc1nnsc1C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000638836101 405704378 /nfs/dbraw/zinc/70/43/78/405704378.db2.gz CMDRRXKTYKEUCQ-UHFFFAOYSA-N 1 3 303.435 2.248 20 0 DEADHO Clc1cccc2c1OCCC[C@H]2NCCN1CC[NH2+]CC1 ZINC000423200485 405721682 /nfs/dbraw/zinc/72/16/82/405721682.db2.gz FUTYZYHEAYWHOD-OAHLLOKOSA-N 1 3 309.841 2.049 20 0 DEADHO CC[NH+](CC)CCC[C@@H](C)NCc1cc2c(cn1)OCCO2 ZINC000638861933 405723929 /nfs/dbraw/zinc/72/39/29/405723929.db2.gz CNSNILSLUKKARQ-CQSZACIVSA-N 1 3 307.438 2.453 20 0 DEADHO CC(C)c1ccc([C@H](N)C[NH2+][C@H](C)C[C@@H]2COCCN2)cc1 ZINC000423240137 405734142 /nfs/dbraw/zinc/73/41/42/405734142.db2.gz KOHLGSNWUCVYDP-ZTFGCOKTSA-N 1 3 305.466 2.166 20 0 DEADHO O=C(CC[C@@H]1CCC[NH2+]1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000494655956 405739227 /nfs/dbraw/zinc/73/92/27/405739227.db2.gz MVKIBZSSESZFSN-ROUUACIJSA-N 1 3 315.461 2.472 20 0 DEADHO CCC(N)(CC)C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000423282907 405747849 /nfs/dbraw/zinc/74/78/49/405747849.db2.gz DJBBQQIYGQDWCO-WBVHZDCISA-N 1 3 304.482 2.399 20 0 DEADHO CCC([NH3+])(CC)CN[C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000423282907 405747854 /nfs/dbraw/zinc/74/78/54/405747854.db2.gz DJBBQQIYGQDWCO-WBVHZDCISA-N 1 3 304.482 2.399 20 0 DEADHO CC[NH+]1CCC(NC(=O)C(C)(C)[C@H](N)c2ccccc2)CC1 ZINC000423300299 405750965 /nfs/dbraw/zinc/75/09/65/405750965.db2.gz DIFHPMCPNZWVRB-MRXNPFEDSA-N 1 3 303.450 2.313 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)[C@H](N)C1CCC1)Cc1ccccc1 ZINC000423327998 405763160 /nfs/dbraw/zinc/76/31/60/405763160.db2.gz NOYNGIUKKVHPJS-QZTJIDSGSA-N 1 3 317.477 2.183 20 0 DEADHO COc1ccc(C[NH2+]CCCN2CCCO[C@H](C)C2)cc1F ZINC000432357278 405752387 /nfs/dbraw/zinc/75/23/87/405752387.db2.gz HEKSRRLYNFVYSR-CQSZACIVSA-N 1 3 310.413 2.425 20 0 DEADHO CC[NH+](CC)CCOc1ccc(NC(=O)[C@H](N)C2CCC2)cc1 ZINC000423307318 405754330 /nfs/dbraw/zinc/75/43/30/405754330.db2.gz VQNUAWOCHYMHJQ-QGZVFWFLSA-N 1 3 319.449 2.473 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCCCC[N@H+](C)C2CC2)c1 ZINC000457213370 405755382 /nfs/dbraw/zinc/75/53/82/405755382.db2.gz YQYMETUTDKHWJY-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCCCC[N@@H+](C)C2CC2)c1 ZINC000457213370 405755388 /nfs/dbraw/zinc/75/53/88/405755388.db2.gz YQYMETUTDKHWJY-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO CCO[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CNC3)C12CCOCC2 ZINC000423365342 405778347 /nfs/dbraw/zinc/77/83/47/405778347.db2.gz BDBXCGZVFTVNTL-ROUUACIJSA-N 1 3 316.445 2.354 20 0 DEADHO CC(C)(C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)[C@@H](N)c1ccccc1 ZINC000638949415 405779319 /nfs/dbraw/zinc/77/93/19/405779319.db2.gz ADELFIVLKFMAFR-BPUTZDHNSA-N 1 3 303.450 2.346 20 0 DEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000423372791 405782288 /nfs/dbraw/zinc/78/22/88/405782288.db2.gz HDWGPGRGRYNBDB-CBZIJGRNSA-N 1 3 302.466 2.152 20 0 DEADHO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H](N)C1CCC1)c1ccccc1 ZINC000423394422 405787816 /nfs/dbraw/zinc/78/78/16/405787816.db2.gz ZQFZEQDATZWOFT-BBRMVZONSA-N 1 3 303.450 2.359 20 0 DEADHO Cc1cc([C@@H](C)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c(C)o1 ZINC000423458272 405811723 /nfs/dbraw/zinc/81/17/23/405811723.db2.gz PXFKVRYWHCXEIJ-NJAPINKUSA-N 1 3 319.449 2.194 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CCC[NH2+][C@H]3C)C2)cc1 ZINC000639001664 405813181 /nfs/dbraw/zinc/81/31/81/405813181.db2.gz LSURQSNZKNCCHR-SZMVWBNQSA-N 1 3 315.461 2.074 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000639002193 405814220 /nfs/dbraw/zinc/81/42/20/405814220.db2.gz ZRGXLEKXLMPPCQ-ZWKOTPCHSA-N 1 3 315.461 2.075 20 0 DEADHO C[C@H]([NH2+]CCc1cncn1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000530513144 405816349 /nfs/dbraw/zinc/81/63/49/405816349.db2.gz JUOIMSMLOJIZGW-WMZOPIPTSA-N 1 3 312.461 2.463 20 0 DEADHO N[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)C1CCC1 ZINC000423352358 405772762 /nfs/dbraw/zinc/77/27/62/405772762.db2.gz KHESAUUZGMKIFT-QGZVFWFLSA-N 1 3 301.434 2.391 20 0 DEADHO CCOc1cc(CN2CCC(OCC[NH+](C)C)CC2)ccc1O ZINC000459358049 405871815 /nfs/dbraw/zinc/87/18/15/405871815.db2.gz WVIYVOUYHYGOGP-UHFFFAOYSA-N 1 3 322.449 2.334 20 0 DEADHO CCC1([NH+](C)C)CCN(C(=O)[C@H]2CCN2C2CCCC2)CC1 ZINC000636314774 405885420 /nfs/dbraw/zinc/88/54/20/405885420.db2.gz PCRYMMYWLUVAQP-MRXNPFEDSA-N 1 3 307.482 2.336 20 0 DEADHO CC1(C)CCCN(CCNC(=O)NCc2ccc(C[NH3+])cc2)C1 ZINC000584171014 405840812 /nfs/dbraw/zinc/84/08/12/405840812.db2.gz YDOHXOVMVCXYNS-UHFFFAOYSA-N 1 3 318.465 2.067 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000633801261 405846658 /nfs/dbraw/zinc/84/66/58/405846658.db2.gz WQNPKKSEYGJJBO-SJLPKXTDSA-N 1 3 317.477 2.211 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000633801261 405846666 /nfs/dbraw/zinc/84/66/66/405846666.db2.gz WQNPKKSEYGJJBO-SJLPKXTDSA-N 1 3 317.477 2.211 20 0 DEADHO C[C@@H]1OCC[C@@]1(O)CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000433015783 405851369 /nfs/dbraw/zinc/85/13/69/405851369.db2.gz LUMYISYAOLOLKA-MXSMSXNCSA-N 1 3 310.482 2.159 20 0 DEADHO C[C@@H]1OCC[C@@]1(O)C[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000433015783 405851370 /nfs/dbraw/zinc/85/13/70/405851370.db2.gz LUMYISYAOLOLKA-MXSMSXNCSA-N 1 3 310.482 2.159 20 0 DEADHO [NH3+][C@H]1CCCC[C@@H]1CC(=O)N1CCN(C2CCCCC2)CC1 ZINC000423716906 405925762 /nfs/dbraw/zinc/92/57/62/405925762.db2.gz YOUBWNREKWTJSZ-WBVHZDCISA-N 1 3 307.482 2.371 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)cc1 ZINC000423722549 405927706 /nfs/dbraw/zinc/92/77/06/405927706.db2.gz GJDACACSWGLSKJ-INIZCTEOSA-N 1 3 303.450 2.143 20 0 DEADHO CN(C)CCN(CCCc1ccccc1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000423740590 405939898 /nfs/dbraw/zinc/93/98/98/405939898.db2.gz GTGNDPQNGOJKEA-ZWKOTPCHSA-N 1 3 317.477 2.137 20 0 DEADHO CN(C)CCN(CCCc1ccccc1)C(=O)CC1(C[NH3+])CC1 ZINC000423743118 405941087 /nfs/dbraw/zinc/94/10/87/405941087.db2.gz JOUHWGYDNFOMDJ-UHFFFAOYSA-N 1 3 317.477 2.138 20 0 DEADHO CC(C)[C@@H](C[NH3+])C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000423751985 405946039 /nfs/dbraw/zinc/94/60/39/405946039.db2.gz AMGXXYDKIPXDMO-CABCVRRESA-N 1 3 311.857 2.290 20 0 DEADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000423762966 405953857 /nfs/dbraw/zinc/95/38/57/405953857.db2.gz QQALNMNLOCWTCJ-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)CC[NH2+]1 ZINC000423775501 405958267 /nfs/dbraw/zinc/95/82/67/405958267.db2.gz OXMNRGCQFCHECG-NOLJZWGESA-N 1 3 323.868 2.447 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)CC[NH2+]1 ZINC000423775500 405958946 /nfs/dbraw/zinc/95/89/46/405958946.db2.gz OXMNRGCQFCHECG-DUVNUKRYSA-N 1 3 323.868 2.447 20 0 DEADHO CN(C)C[C@H](NC(=O)CC1(C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000423778448 405961551 /nfs/dbraw/zinc/96/15/51/405961551.db2.gz SYMACOMMQIAHDW-AWEZNQCLSA-N 1 3 309.841 2.188 20 0 DEADHO CN(C)C[C@@H](NC(=O)CC[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423781478 405963861 /nfs/dbraw/zinc/96/38/61/405963861.db2.gz XRIHOSNTFQXPEW-CZUORRHYSA-N 1 3 323.868 2.449 20 0 DEADHO CC(C)[C@H](C(=O)NCC1CCN(c2ccncc2)CC1)[C@@H](C)[NH3+] ZINC000423782660 405965232 /nfs/dbraw/zinc/96/52/32/405965232.db2.gz IWTAAKNFKGBTQV-PBHICJAKSA-N 1 3 318.465 2.034 20 0 DEADHO CC1(C[NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)CC1 ZINC000568843494 292370941 /nfs/dbraw/zinc/37/09/41/292370941.db2.gz OZXRSABYWOZFKR-UHFFFAOYSA-N 1 3 315.461 2.274 20 0 DEADHO CN1CCN(CCCC[NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000531941192 406025754 /nfs/dbraw/zinc/02/57/54/406025754.db2.gz YJYGGIBMNHCUIK-SFHVURJKSA-N 1 3 305.441 2.430 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NC(C)(C)CN(C)C)C1 ZINC000457724851 405971483 /nfs/dbraw/zinc/97/14/83/405971483.db2.gz DNDYDOHWOQJCEA-OAHLLOKOSA-N 1 3 312.502 2.138 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC(C)(C)CN(C)C)C1 ZINC000457724851 405971486 /nfs/dbraw/zinc/97/14/86/405971486.db2.gz DNDYDOHWOQJCEA-OAHLLOKOSA-N 1 3 312.502 2.138 20 0 DEADHO CO[C@@H](CNC1CC[NH+](CC(C)(C)O)CC1)Cc1ccccc1 ZINC000639220713 405983245 /nfs/dbraw/zinc/98/32/45/405983245.db2.gz XLLPQVQBRLHSQR-GOSISDBHSA-N 1 3 320.477 2.069 20 0 DEADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000433913388 405998135 /nfs/dbraw/zinc/99/81/35/405998135.db2.gz CXJLGLMOMBQYFN-NVXWUHKLSA-N 1 3 322.497 2.034 20 0 DEADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000433913388 405998140 /nfs/dbraw/zinc/99/81/40/405998140.db2.gz CXJLGLMOMBQYFN-NVXWUHKLSA-N 1 3 322.497 2.034 20 0 DEADHO CC(C)N1CCC[C@H](C[NH2+]C2CCN(c3cnccn3)CC2)C1 ZINC000532214159 406055835 /nfs/dbraw/zinc/05/58/35/406055835.db2.gz XCLAHHMDSOSKKO-MRXNPFEDSA-N 1 3 317.481 2.155 20 0 DEADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC1CCN(c2cccnn2)CC1 ZINC000567639699 406110664 /nfs/dbraw/zinc/11/06/64/406110664.db2.gz LYKVRCZGKGLKBJ-NVXWUHKLSA-N 1 3 317.481 2.346 20 0 DEADHO C[C@@H]1C[C@H](NCc2ccccc2N(C)C2CC[NH+](C)CC2)CO1 ZINC000567853162 406148171 /nfs/dbraw/zinc/14/81/71/406148171.db2.gz ZQTSNNBMORJAHI-WBVHZDCISA-N 1 3 317.477 2.484 20 0 DEADHO CC[NH+](CC)CCOc1ccccc1NC(=O)CNC(C)C ZINC000518566002 406148957 /nfs/dbraw/zinc/14/89/57/406148957.db2.gz VUUVEXXYKJXYPP-UHFFFAOYSA-N 1 3 307.438 2.344 20 0 DEADHO CCCCOCCNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634700963 406232342 /nfs/dbraw/zinc/23/23/42/406232342.db2.gz IBFJSULTCXZJNC-GOSISDBHSA-N 1 3 306.450 2.030 20 0 DEADHO CCCCOCCNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634700963 406232347 /nfs/dbraw/zinc/23/23/47/406232347.db2.gz IBFJSULTCXZJNC-GOSISDBHSA-N 1 3 306.450 2.030 20 0 DEADHO c1nc2cc(C[NH+]3CCC(CN4CCOCC4)CC3)ccc2[nH]1 ZINC000535067810 406210609 /nfs/dbraw/zinc/21/06/09/406210609.db2.gz XUEKLDYOKNDRFB-UHFFFAOYSA-N 1 3 314.433 2.107 20 0 DEADHO c1nc2ccc(C[NH+]3CCC(CN4CCOCC4)CC3)cc2[nH]1 ZINC000535067810 406210613 /nfs/dbraw/zinc/21/06/13/406210613.db2.gz XUEKLDYOKNDRFB-UHFFFAOYSA-N 1 3 314.433 2.107 20 0 DEADHO C[NH+](C)Cc1cccc(CNC(=O)[C@H]2CNCc3ccccc32)c1 ZINC000519716014 406242332 /nfs/dbraw/zinc/24/23/32/406242332.db2.gz SKYXKRXWVYVFAN-IBGZPJMESA-N 1 3 323.440 2.251 20 0 DEADHO CCS(=O)(=O)CCCCCN1CCC2(C1)CC[NH+](C)CC2 ZINC000639756215 406236546 /nfs/dbraw/zinc/23/65/46/406236546.db2.gz RUNZDGAMQZDYHL-UHFFFAOYSA-N 1 3 316.511 2.009 20 0 DEADHO CC(C)C[C@H](C)N(C)C(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639758964 406237873 /nfs/dbraw/zinc/23/78/73/406237873.db2.gz YSMLAACAOKWMTI-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H]1CCCC[C@H]1N(C)C(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639757039 406237955 /nfs/dbraw/zinc/23/79/55/406237955.db2.gz CLMZKRUZYLAQTI-DLBZAZTESA-N 1 3 321.509 2.441 20 0 DEADHO Cc1ccccc1CNC(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639760253 406240001 /nfs/dbraw/zinc/24/00/01/406240001.db2.gz UTQMHWVKRIHITA-UHFFFAOYSA-N 1 3 315.461 2.029 20 0 DEADHO CN(C(=O)CN1CCC2(C1)CC[NH+](C)CC2)C1CCCCC1 ZINC000639764893 406241317 /nfs/dbraw/zinc/24/13/17/406241317.db2.gz XYCJAXMPVGPZCK-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO O[C@H]1CC[N@H+](Cc2ccccc2CNC/C=C/c2ccncc2)C1 ZINC000487555671 406246339 /nfs/dbraw/zinc/24/63/39/406246339.db2.gz GWCANAHWFKXMCN-YADGQWAMSA-N 1 3 323.440 2.451 20 0 DEADHO O[C@H]1CC[N@@H+](Cc2ccccc2CNC/C=C/c2ccncc2)C1 ZINC000487555671 406246346 /nfs/dbraw/zinc/24/63/46/406246346.db2.gz GWCANAHWFKXMCN-YADGQWAMSA-N 1 3 323.440 2.451 20 0 DEADHO CC[NH+](CC)CCCNC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000487540687 406243796 /nfs/dbraw/zinc/24/37/96/406243796.db2.gz PPGCELAAVNGHSF-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H]1CC[C@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000569008474 292384074 /nfs/dbraw/zinc/38/40/74/292384074.db2.gz MHSKKYKTSYZHHS-WKILWMFISA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)N1CCN(c2ccccc2)CC1 ZINC000519834968 406261547 /nfs/dbraw/zinc/26/15/47/406261547.db2.gz NEUJZGPIJVGORH-SQNIBIBYSA-N 1 3 316.493 2.057 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)N1CCCCC1 ZINC000634762238 406271214 /nfs/dbraw/zinc/27/12/14/406271214.db2.gz SCTWGGFTFVMHMD-HZPDHXFCSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)(CNC[C@H](O)COCc1ccccc1)C[NH+]1CCCC1 ZINC000569716709 406293777 /nfs/dbraw/zinc/29/37/77/406293777.db2.gz SNKSLOJZAOOYMB-SFHVURJKSA-N 1 3 320.477 2.276 20 0 DEADHO CC(C)(C[NH2+]C[C@H](O)COCc1ccccc1)CN1CCCC1 ZINC000569716709 406293783 /nfs/dbraw/zinc/29/37/83/406293783.db2.gz SNKSLOJZAOOYMB-SFHVURJKSA-N 1 3 320.477 2.276 20 0 DEADHO CC(C)[NH2+]CCC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000569876822 406314441 /nfs/dbraw/zinc/31/44/41/406314441.db2.gz BPGOTUGBYAJSKS-CQSZACIVSA-N 1 3 309.479 2.389 20 0 DEADHO Cc1c([C@H](C)NCC[C@H]2CC[NH2+]C2)nnn1-c1ccc(F)cc1 ZINC000569918892 406319688 /nfs/dbraw/zinc/31/96/88/406319688.db2.gz VBPFBWIYTNZTQN-GXTWGEPZSA-N 1 3 317.412 2.365 20 0 DEADHO CC1CCN([C@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2)c2ccccc2)CC1 ZINC000569930388 406323273 /nfs/dbraw/zinc/32/32/73/406323273.db2.gz GEVGBQJWGYTYEK-FGTMMUONSA-N 1 3 315.461 2.313 20 0 DEADHO CC[NH+](CC)C[C@H](C)NC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488562836 406330524 /nfs/dbraw/zinc/33/05/24/406330524.db2.gz SOXJFZHXPPVWPX-VVLHAWIVSA-N 1 3 324.513 2.088 20 0 DEADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000488663950 406337913 /nfs/dbraw/zinc/33/79/13/406337913.db2.gz HCFKRFIGKBUSGZ-CVEARBPZSA-N 1 3 324.513 2.233 20 0 DEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000488663950 406337917 /nfs/dbraw/zinc/33/79/17/406337917.db2.gz HCFKRFIGKBUSGZ-CVEARBPZSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H]1CC2(CN1Cc1cnc(N3CCCC3)nc1)CC[NH2+]CC2 ZINC000570154198 406352141 /nfs/dbraw/zinc/35/21/41/406352141.db2.gz GCGBANNDAKGPEW-OAHLLOKOSA-N 1 3 315.465 2.041 20 0 DEADHO [NH3+]C[C@H]1Cc2ccccc2N(C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000632869847 406299630 /nfs/dbraw/zinc/29/96/30/406299630.db2.gz QQHCUFPVRHRVGF-KDOFPFPSSA-N 1 3 321.424 2.385 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000489809215 406432069 /nfs/dbraw/zinc/43/20/69/406432069.db2.gz VDCFBQDPXYICCK-BBWFWOEESA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(-n2cnnn2)cc1 ZINC000635010238 406398156 /nfs/dbraw/zinc/39/81/56/406398156.db2.gz JFRIOBGOWSQGTH-DZGCQCFKSA-N 1 3 314.437 2.091 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)N1CCCC[C@H]1C ZINC000489789098 406430857 /nfs/dbraw/zinc/43/08/57/406430857.db2.gz IXUURHIGWJYCPP-WCXIOVBPSA-N 1 3 324.513 2.421 20 0 DEADHO CC[C@]1(O)CCCN(C/C=C\C[N@@H+]2CCC[C@@](O)(CC)C2)C1 ZINC000640036584 406367928 /nfs/dbraw/zinc/36/79/28/406367928.db2.gz UHJMUYUEKWHDFL-SLXDBMQSSA-N 1 3 310.482 2.016 20 0 DEADHO CC[C@]1(O)CCCN(C/C=C\C[N@H+]2CCC[C@@](O)(CC)C2)C1 ZINC000640036584 406367931 /nfs/dbraw/zinc/36/79/31/406367931.db2.gz UHJMUYUEKWHDFL-SLXDBMQSSA-N 1 3 310.482 2.016 20 0 DEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C1(C[NH+](C)C)CC1 ZINC000635447187 406541823 /nfs/dbraw/zinc/54/18/23/406541823.db2.gz PPBGMBVQNYYKBE-UHFFFAOYSA-N 1 3 321.440 2.058 20 0 DEADHO CC[NH2+][C@H](C)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000638085098 406560940 /nfs/dbraw/zinc/56/09/40/406560940.db2.gz JMEGSLUSYGTNAV-NVXWUHKLSA-N 1 3 303.450 2.246 20 0 DEADHO CC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000638084359 406561731 /nfs/dbraw/zinc/56/17/31/406561731.db2.gz KEGOPOQCYQOOFG-KBPBESRZSA-N 1 3 309.479 2.074 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC000635412046 406525641 /nfs/dbraw/zinc/52/56/41/406525641.db2.gz OHTSHMDPTUMFBG-NVXWUHKLSA-N 1 3 315.461 2.280 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)[C@@H]2CCN2C2CCCC2)CC1 ZINC000635610019 406619726 /nfs/dbraw/zinc/61/97/26/406619726.db2.gz UAKXYMXWWGDLGL-KRWDZBQOSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000641091130 406624245 /nfs/dbraw/zinc/62/42/45/406624245.db2.gz MOJDCYIGIKFJQP-KRWDZBQOSA-N 1 3 324.513 2.282 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CCC3CC3)CC2)CC1 ZINC000571895875 406581104 /nfs/dbraw/zinc/58/11/04/406581104.db2.gz SQACRPLIUPFNGT-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CN(CC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)CC(C)(C)C ZINC000638252854 406651350 /nfs/dbraw/zinc/65/13/50/406651350.db2.gz WPDOZUJYHIQRRS-CVEARBPZSA-N 1 3 309.498 2.203 20 0 DEADHO C[NH+](C)CCCCC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000552114956 406687187 /nfs/dbraw/zinc/68/71/87/406687187.db2.gz HQNMYGOXLXBOMK-SFHVURJKSA-N 1 3 317.477 2.499 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645896422 406689412 /nfs/dbraw/zinc/68/94/12/406689412.db2.gz UTLIOTAIZYOTRG-INIZCTEOSA-N 1 3 303.450 2.095 20 0 DEADHO C[NH+](C)CCCCC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000572611563 406702922 /nfs/dbraw/zinc/70/29/22/406702922.db2.gz GZBZCZXBBZKDEV-IBGZPJMESA-N 1 3 317.477 2.499 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000646014465 406744271 /nfs/dbraw/zinc/74/42/71/406744271.db2.gz YTIWAPQKDIWKEE-RHSMWYFYSA-N 1 3 315.461 2.326 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000527801838 406756422 /nfs/dbraw/zinc/75/64/22/406756422.db2.gz WYZYFGNUSMZEJA-NVXWUHKLSA-N 1 3 322.497 2.033 20 0 DEADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000527801838 406756424 /nfs/dbraw/zinc/75/64/24/406756424.db2.gz WYZYFGNUSMZEJA-NVXWUHKLSA-N 1 3 322.497 2.033 20 0 DEADHO CN(C)CCN(CCCc1ccccc1)C(=O)CC(C)(C)[NH3+] ZINC000646070744 406768225 /nfs/dbraw/zinc/76/82/25/406768225.db2.gz SGWZRRNHUBFXNX-UHFFFAOYSA-N 1 3 305.466 2.137 20 0 DEADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000646071471 406768614 /nfs/dbraw/zinc/76/86/14/406768614.db2.gz PIXXONWMMNYQGP-FQLMCAECSA-N 1 3 321.490 2.245 20 0 DEADHO CN1CCCN(CCC[NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000527652238 406706045 /nfs/dbraw/zinc/70/60/45/406706045.db2.gz CYLMGRCFURARJQ-UHFFFAOYSA-N 1 3 300.450 2.285 20 0 DEADHO CCCN(CCN(C)C)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000572660389 406715434 /nfs/dbraw/zinc/71/54/34/406715434.db2.gz GEARUFXRVFHNRL-GOSISDBHSA-N 1 3 317.477 2.309 20 0 DEADHO CCCN(CCN(C)C)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000572660389 406715440 /nfs/dbraw/zinc/71/54/40/406715440.db2.gz GEARUFXRVFHNRL-GOSISDBHSA-N 1 3 317.477 2.309 20 0 DEADHO CN(CC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)CC(C)(C)C ZINC000638353368 406719046 /nfs/dbraw/zinc/71/90/46/406719046.db2.gz SEMRLZWTMVKRRU-INIZCTEOSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@H]1CCCC[C@H]1OCCNC1CC[NH+](CC(C)(C)O)CC1 ZINC000638366680 406727846 /nfs/dbraw/zinc/72/78/46/406727846.db2.gz KFSHFFVZRNXMJD-DOTOQJQBSA-N 1 3 312.498 2.407 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000641035210 406796797 /nfs/dbraw/zinc/79/67/97/406796797.db2.gz ZLUSFXREWSJHQU-INIZCTEOSA-N 1 3 310.486 2.036 20 0 DEADHO C[C@@H](Cc1cccs1)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000646215166 406818074 /nfs/dbraw/zinc/81/80/74/406818074.db2.gz HOMIEWGAQWQILM-HNNXBMFYSA-N 1 3 323.506 2.261 20 0 DEADHO CCc1nn(C)cc1C[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000647249096 406978146 /nfs/dbraw/zinc/97/81/46/406978146.db2.gz AYZYLPXONDSQAM-AEFFLSMTSA-N 1 3 312.461 2.418 20 0 DEADHO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CCCN(C)C1 ZINC000642056230 406911595 /nfs/dbraw/zinc/91/15/95/406911595.db2.gz AQHOBNBWIMONGI-KRWDZBQOSA-N 1 3 324.513 2.378 20 0 DEADHO C[NH+](C)CCCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000643207329 406960592 /nfs/dbraw/zinc/96/05/92/406960592.db2.gz CMPYDBQFJWQSAP-QGZVFWFLSA-N 1 3 318.465 2.074 20 0 DEADHO CO[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])c1ccccc1Cl ZINC000643467528 407004418 /nfs/dbraw/zinc/00/44/18/407004418.db2.gz SFYXEJUTZIKLCF-UIBBOPPKSA-N 1 3 312.841 2.369 20 0 DEADHO CCCCOc1ccc(CN(C)CCN2CC[NH2+]CC2)cc1 ZINC000647493458 407007037 /nfs/dbraw/zinc/00/70/37/407007037.db2.gz SZOUPCBKSFPQBO-UHFFFAOYSA-N 1 3 305.466 2.203 20 0 DEADHO COc1cccc([C@H]2C[C@H](N[C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])C2)c1 ZINC000643493364 407007640 /nfs/dbraw/zinc/00/76/40/407007640.db2.gz JZNCTKAXRPVJJR-LZDZAVHKSA-N 1 3 304.434 2.283 20 0 DEADHO COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@H](C)N)C2)c1 ZINC000643493364 407007644 /nfs/dbraw/zinc/00/76/44/407007644.db2.gz JZNCTKAXRPVJJR-LZDZAVHKSA-N 1 3 304.434 2.283 20 0 DEADHO CN(CCCC1CC[NH2+]CC1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000647888181 407067937 /nfs/dbraw/zinc/06/79/37/407067937.db2.gz XIPXSOSZQFQSPJ-HOTGVXAUSA-N 1 3 316.511 2.054 20 0 DEADHO CC[C@H]1CN(CCC(=O)Nc2ccc(OC)cc2)CC[C@H]1[NH3+] ZINC000647934579 407078706 /nfs/dbraw/zinc/07/87/06/407078706.db2.gz JKZKPRJQTUKPCZ-XJKSGUPXSA-N 1 3 305.422 2.083 20 0 DEADHO COc1ccccc1[C@H](N)CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000644092181 407085703 /nfs/dbraw/zinc/08/57/03/407085703.db2.gz IUVXMHKKCUTSEZ-BZUAXINKSA-N 1 3 319.449 2.109 20 0 DEADHO C[C@H](C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1)[C@@H](N)c1ccccc1 ZINC000648181043 407132212 /nfs/dbraw/zinc/13/22/12/407132212.db2.gz XPHWZPHNESWSGL-CWRNSKLLSA-N 1 3 301.434 2.113 20 0 DEADHO CCCN(C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)[C@@H]1CCN(C)C1 ZINC000645270585 407256811 /nfs/dbraw/zinc/25/68/11/407256811.db2.gz CJURWYKBEHXKMR-BRWVUGGUSA-N 1 3 324.513 2.375 20 0 DEADHO CCCN(C(=O)NC1CC[NH+](CC(C)C)CC1)[C@H]1CCN(C)C1 ZINC000645144494 407237635 /nfs/dbraw/zinc/23/76/35/407237635.db2.gz JSFFZWPPDUBAPP-KRWDZBQOSA-N 1 3 324.513 2.233 20 0 DEADHO CCCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)[C@@H]1CCN(C)C1 ZINC000645179583 407242947 /nfs/dbraw/zinc/24/29/47/407242947.db2.gz RBUKMBLABFIYHS-JKSUJKDBSA-N 1 3 312.502 2.088 20 0 DEADHO [NH3+][C@H]1CCCCCC[C@H]1C(=O)N1CCN(c2ccncc2)CC1 ZINC000645222055 407249110 /nfs/dbraw/zinc/24/91/10/407249110.db2.gz UXHVXNZLLBCNDS-SJORKVTESA-N 1 3 316.449 2.028 20 0 DEADHO C[C@@H](CCC[NH3+])NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000417020391 286804263 /nfs/dbraw/zinc/80/42/63/286804263.db2.gz IWWVAHCDRHVDFD-RDJZCZTQSA-N 1 3 318.465 2.250 20 0 DEADHO C[C@@H]1CC(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000423118228 287220912 /nfs/dbraw/zinc/22/09/12/287220912.db2.gz ZMBNLRWKBIVOEZ-RTKZEXODSA-N 1 3 310.482 2.327 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000130833579 196114264 /nfs/dbraw/zinc/11/42/64/196114264.db2.gz UBRDBPLRRNIDOE-SJORKVTESA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000130833579 196114266 /nfs/dbraw/zinc/11/42/66/196114266.db2.gz UBRDBPLRRNIDOE-SJORKVTESA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC(C)(C)CN(C)C ZINC000457729627 287265641 /nfs/dbraw/zinc/26/56/41/287265641.db2.gz HWBLIYHTRTYJTB-OAHLLOKOSA-N 1 3 312.502 2.280 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC(C)(C)CN(C)C ZINC000457729627 287265644 /nfs/dbraw/zinc/26/56/44/287265644.db2.gz HWBLIYHTRTYJTB-OAHLLOKOSA-N 1 3 312.502 2.280 20 0 DEADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H](CO)[C@H]2CCCOC2)CC1 ZINC000414537980 287289298 /nfs/dbraw/zinc/28/92/98/287289298.db2.gz AHJRVCWJLBGUNS-JFRXWTBNSA-N 1 3 324.509 2.407 20 0 DEADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H](CO)[C@H]2CCCOC2)CC1 ZINC000414537980 287289300 /nfs/dbraw/zinc/28/93/00/287289300.db2.gz AHJRVCWJLBGUNS-JFRXWTBNSA-N 1 3 324.509 2.407 20 0 DEADHO C[C@@H]1CCC[C@@H](CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000357001726 287394701 /nfs/dbraw/zinc/39/47/01/287394701.db2.gz MSFNXKMFVOTAML-ZACQAIPSSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CCC[C@@H](CN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000357001726 287394704 /nfs/dbraw/zinc/39/47/04/287394704.db2.gz MSFNXKMFVOTAML-ZACQAIPSSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H](C(=O)Nc1ccc2c(c1)C[NH2+]CCO2)N1CCCCCC1 ZINC000291127873 222158426 /nfs/dbraw/zinc/15/84/26/222158426.db2.gz VUWVENHTMNDNDQ-CQSZACIVSA-N 1 3 317.433 2.372 20 0 DEADHO Cn1cncc1CCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000297594464 227345333 /nfs/dbraw/zinc/34/53/33/227345333.db2.gz JLDQADJLBFIKGI-HDICACEKSA-N 1 3 310.445 2.026 20 0 DEADHO Cn1cncc1CCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000297594464 227345339 /nfs/dbraw/zinc/34/53/39/227345339.db2.gz JLDQADJLBFIKGI-HDICACEKSA-N 1 3 310.445 2.026 20 0 DEADHO Cn1cncc1CC[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000297594464 227345344 /nfs/dbraw/zinc/34/53/44/227345344.db2.gz JLDQADJLBFIKGI-HDICACEKSA-N 1 3 310.445 2.026 20 0 DEADHO Cn1cncc1CC[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000297594464 227345348 /nfs/dbraw/zinc/34/53/48/227345348.db2.gz JLDQADJLBFIKGI-HDICACEKSA-N 1 3 310.445 2.026 20 0 DEADHO C[C@@]1(CNCCc2nc(-c3ccccn3)cs2)CC[NH2+]C1 ZINC000415116786 228634218 /nfs/dbraw/zinc/63/42/18/228634218.db2.gz VEPRHRMCKUADIH-INIZCTEOSA-N 1 3 302.447 2.337 20 0 DEADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000417337284 229010681 /nfs/dbraw/zinc/01/06/81/229010681.db2.gz XKUVPKRQMQURPE-QBPKDAKJSA-N 1 3 324.513 2.171 20 0 DEADHO Cc1ccc([C@H](CNC(=O)NCC[C@H](C)[NH3+])N2CCCC2)cc1 ZINC000417356732 229013140 /nfs/dbraw/zinc/01/31/40/229013140.db2.gz QAHOKZMZVVLDOB-RDJZCZTQSA-N 1 3 318.465 2.168 20 0 DEADHO CCn1nncc1CNCC1CC[NH+](Cc2ccccc2)CC1 ZINC000417877406 229132288 /nfs/dbraw/zinc/13/22/88/229132288.db2.gz PZUKYUIHCMPHBC-UHFFFAOYSA-N 1 3 313.449 2.300 20 0 DEADHO C[C@H](NC(=O)NCCC[NH2+]C1CC1)[C@@H](c1ccccc1)N(C)C ZINC000418159577 229246883 /nfs/dbraw/zinc/24/68/83/229246883.db2.gz AJYARLLACRCPON-YOEHRIQHSA-N 1 3 318.465 2.119 20 0 DEADHO CN(C)CCN(C(=O)N[C@H]1CCCC[C@H]1C[NH3+])C1CCCC1 ZINC000418424077 229344170 /nfs/dbraw/zinc/34/41/70/229344170.db2.gz JYWSHBORCLXVSE-HOCLYGCPSA-N 1 3 310.486 2.020 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418587422 229396597 /nfs/dbraw/zinc/39/65/97/229396597.db2.gz RAXMOVQJTAOREJ-IAGOWNOFSA-N 1 3 324.513 2.410 20 0 DEADHO CON1CCC([NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)CC1 ZINC000421884930 230014654 /nfs/dbraw/zinc/01/46/54/230014654.db2.gz ULZOUPNCHOKUCO-OAHLLOKOSA-N 1 3 321.465 2.303 20 0 DEADHO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)NCC2CCCCC2)C[C@@H]1CN ZINC000422637860 230161731 /nfs/dbraw/zinc/16/17/31/230161731.db2.gz PMHVSZVRYSQQSJ-INMHGKMJSA-N 1 3 309.498 2.378 20 0 DEADHO C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)NCC2CCCCC2)C[C@@H]1CN ZINC000422637860 230161735 /nfs/dbraw/zinc/16/17/35/230161735.db2.gz PMHVSZVRYSQQSJ-INMHGKMJSA-N 1 3 309.498 2.378 20 0 DEADHO C[C@@H]1C[C@@H](C)N(CCC(=O)NCC2CCCCC2)C[C@@H]1C[NH3+] ZINC000422637860 230161738 /nfs/dbraw/zinc/16/17/38/230161738.db2.gz PMHVSZVRYSQQSJ-INMHGKMJSA-N 1 3 309.498 2.378 20 0 DEADHO [NH3+][C@H]1CCCCC[C@@H]1NCc1cccc(CN2CCOCC2)c1 ZINC000422697747 230168386 /nfs/dbraw/zinc/16/83/86/230168386.db2.gz VZGBJJHUVXZJKC-OALUTQOASA-N 1 3 317.477 2.268 20 0 DEADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000422697747 230168391 /nfs/dbraw/zinc/16/83/91/230168391.db2.gz VZGBJJHUVXZJKC-OALUTQOASA-N 1 3 317.477 2.268 20 0 DEADHO C[C@@H]1CCCC[C@@H]1OCCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422710703 230172884 /nfs/dbraw/zinc/17/28/84/230172884.db2.gz MADSUQZTNIQONM-ICUGJSFKSA-N 1 3 310.482 2.328 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc(CN2CCCC2=O)cc1 ZINC000422713572 230174549 /nfs/dbraw/zinc/17/45/49/230174549.db2.gz KCTJGMYDIKHJMA-DLBZAZTESA-N 1 3 301.434 2.026 20 0 DEADHO Cc1cc(C)n(CCC[NH2+][C@H](C)c2ccc(CN)nc2C)n1 ZINC000422750952 230191041 /nfs/dbraw/zinc/19/10/41/230191041.db2.gz FAASALGHHSFMTK-CQSZACIVSA-N 1 3 301.438 2.403 20 0 DEADHO C[C@@H]1CN(c2ccc(C[NH2+][C@H]3CCCCC[C@H]3N)cn2)CCO1 ZINC000422881468 230257249 /nfs/dbraw/zinc/25/72/49/230257249.db2.gz NTDMOBIDJULEFV-OIISXLGYSA-N 1 3 318.465 2.056 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCNC(=O)c1ccccc1Cl ZINC000422957486 230292491 /nfs/dbraw/zinc/29/24/91/230292491.db2.gz UJJVRXVZAGHBNL-SWLSCSKDSA-N 1 3 309.841 2.177 20 0 DEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCNC(=O)c1ccccc1Cl ZINC000422957486 230292493 /nfs/dbraw/zinc/29/24/93/230292493.db2.gz UJJVRXVZAGHBNL-SWLSCSKDSA-N 1 3 309.841 2.177 20 0 DEADHO CCc1noc(-c2ccc(CCN[C@@H](C)C3C[NH2+]C3)cc2)n1 ZINC000422960137 230295939 /nfs/dbraw/zinc/29/59/39/230295939.db2.gz VHOAEQCJZGMOPQ-LBPRGKRZSA-N 1 3 300.406 2.039 20 0 DEADHO CCc1noc(-c2ccc(CC[NH2+][C@@H](C)C3CNC3)cc2)n1 ZINC000422960137 230295946 /nfs/dbraw/zinc/29/59/46/230295946.db2.gz VHOAEQCJZGMOPQ-LBPRGKRZSA-N 1 3 300.406 2.039 20 0 DEADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@H]1CCCCN1 ZINC000422988468 230308990 /nfs/dbraw/zinc/30/89/90/230308990.db2.gz KPTXBWGODWEZBC-MAUKXSAKSA-N 1 3 302.466 2.418 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCc1ccccc1OC(F)F ZINC000423072881 230337436 /nfs/dbraw/zinc/33/74/36/230337436.db2.gz QIMYOXVDSCGKFH-UBHSHLNASA-N 1 3 314.376 2.172 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000423072881 230337440 /nfs/dbraw/zinc/33/74/40/230337440.db2.gz QIMYOXVDSCGKFH-UBHSHLNASA-N 1 3 314.376 2.172 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000423074000 230338960 /nfs/dbraw/zinc/33/89/60/230338960.db2.gz KLJMBIGWLDGTBV-RCCFBDPRSA-N 1 3 319.518 2.321 20 0 DEADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CSCCN1Cc1ccccc1 ZINC000423074000 230338963 /nfs/dbraw/zinc/33/89/63/230338963.db2.gz KLJMBIGWLDGTBV-RCCFBDPRSA-N 1 3 319.518 2.321 20 0 DEADHO C[C@@H](NCCc1cccc(OCC(F)(F)F)c1)C1C[NH2+]C1 ZINC000423097621 230349543 /nfs/dbraw/zinc/34/95/43/230349543.db2.gz QWWMDXWVPVCQQC-LLVKDONJSA-N 1 3 302.340 2.368 20 0 DEADHO C[C@@H]([NH2+]CCc1cccc(OCC(F)(F)F)c1)C1CNC1 ZINC000423097621 230349548 /nfs/dbraw/zinc/34/95/48/230349548.db2.gz QWWMDXWVPVCQQC-LLVKDONJSA-N 1 3 302.340 2.368 20 0 DEADHO CC(C)[C@H](CNC(=O)NC[C@H]1CCCN1C)[NH+]1CCC(C)CC1 ZINC000195127662 424880545 /nfs/dbraw/zinc/88/05/45/424880545.db2.gz NRJCZQXYRKQZQP-SJORKVTESA-N 1 3 324.513 2.136 20 0 DEADHO Cc1ccc(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(OCCN(C)C)c1 ZINC000648792658 424907715 /nfs/dbraw/zinc/90/77/15/424907715.db2.gz QCPCSMTZODBMCM-HUUCEWRRSA-N 1 3 319.449 2.214 20 0 DEADHO Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(OCCN(C)C)c1 ZINC000648792658 424907719 /nfs/dbraw/zinc/90/77/19/424907719.db2.gz QCPCSMTZODBMCM-HUUCEWRRSA-N 1 3 319.449 2.214 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)CC[N@@H+]1C ZINC000648905835 424925913 /nfs/dbraw/zinc/92/59/13/424925913.db2.gz SCFDDOKKSUKPFH-ATLSCFEFSA-N 1 3 315.461 2.106 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)CC[N@H+]1C ZINC000648905835 424925915 /nfs/dbraw/zinc/92/59/15/424925915.db2.gz SCFDDOKKSUKPFH-ATLSCFEFSA-N 1 3 315.461 2.106 20 0 DEADHO Nc1cc(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)ccn1 ZINC000377314703 424901653 /nfs/dbraw/zinc/90/16/53/424901653.db2.gz FNOLVXMMOSLCSJ-OALUTQOASA-N 1 3 322.456 2.618 20 0 DEADHO Nc1cc(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)ccn1 ZINC000377314703 424901656 /nfs/dbraw/zinc/90/16/56/424901656.db2.gz FNOLVXMMOSLCSJ-OALUTQOASA-N 1 3 322.456 2.618 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000649370623 425002353 /nfs/dbraw/zinc/00/23/53/425002353.db2.gz TWSQSFMJNHENDQ-INIZCTEOSA-N 1 3 301.434 2.153 20 0 DEADHO COc1ccccc1CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650705299 425038801 /nfs/dbraw/zinc/03/88/01/425038801.db2.gz BTGPWOWOLXJHCR-LZLYRXPVSA-N 1 3 304.434 2.414 20 0 DEADHO COc1cc(C)nc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650707923 425039777 /nfs/dbraw/zinc/03/97/77/425039777.db2.gz QCIXISBENWNUQS-DAYGRLMNSA-N 1 3 319.449 2.117 20 0 DEADHO Cn1c(=O)ccc2c1CCC[C@H]2N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000650724739 425042345 /nfs/dbraw/zinc/04/23/45/425042345.db2.gz LNWSYSNVOUQKSY-QMCVQRASSA-N 1 3 315.461 2.273 20 0 DEADHO C[NH2+]Cc1ccccc1CNCc1cnc2c(c1)c(C)nn2C ZINC000650718671 425042414 /nfs/dbraw/zinc/04/24/14/425042414.db2.gz SJUJNXKYCMFCEL-UHFFFAOYSA-N 1 3 309.417 2.286 20 0 DEADHO CC(C)(C)n1cc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cn1 ZINC000650721892 425042624 /nfs/dbraw/zinc/04/26/24/425042624.db2.gz FHMQDPBGPGZYLL-ZACQAIPSSA-N 1 3 320.481 2.499 20 0 DEADHO Cc1csc(N2CCN(CC[C@H]3CCC[NH2+]C3)C[C@@H]2C)n1 ZINC000649412433 425014032 /nfs/dbraw/zinc/01/40/32/425014032.db2.gz KXVQHBASHZGCJV-LSDHHAIUSA-N 1 3 308.495 2.352 20 0 DEADHO CN1CCN(CC[C@@H]2CCC[N@@H+]2C)[C@@H](Cc2ccccc2)C1 ZINC000649828700 425088066 /nfs/dbraw/zinc/08/80/66/425088066.db2.gz PZJZOJSLDXGVDY-OALUTQOASA-N 1 3 301.478 2.329 20 0 DEADHO CN1CCN(CC[C@@H]2CCC[N@H+]2C)[C@@H](Cc2ccccc2)C1 ZINC000649828700 425088068 /nfs/dbraw/zinc/08/80/68/425088068.db2.gz PZJZOJSLDXGVDY-OALUTQOASA-N 1 3 301.478 2.329 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(C(=O)NC2CC2)cc1 ZINC000666743661 425172761 /nfs/dbraw/zinc/17/27/61/425172761.db2.gz LOFOOQXNLZEQIV-WBVHZDCISA-N 1 3 301.434 2.186 20 0 DEADHO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC12CC(C1)CN2 ZINC000663498326 425173174 /nfs/dbraw/zinc/17/31/74/425173174.db2.gz OROPBKHJVIBJBA-SWKXRBFHSA-N 1 3 304.434 2.367 20 0 DEADHO CC[N@@H+]1CC[C@H](N[C@H]2CCCc3c2ccc(=O)n3C)[C@H](C)C1 ZINC000652074497 425178796 /nfs/dbraw/zinc/17/87/96/425178796.db2.gz LRGLHMKDQQTGKW-KBMXLJTQSA-N 1 3 303.450 2.083 20 0 DEADHO CC[N@H+]1CC[C@H](N[C@H]2CCCc3c2ccc(=O)n3C)[C@H](C)C1 ZINC000652074497 425178801 /nfs/dbraw/zinc/17/88/01/425178801.db2.gz LRGLHMKDQQTGKW-KBMXLJTQSA-N 1 3 303.450 2.083 20 0 DEADHO c1cc([C@@H]2CNCCO2)ccc1N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000656792073 425191314 /nfs/dbraw/zinc/19/13/14/425191314.db2.gz IVGYIDKFLIRNQC-AHCXZYCDSA-N 1 3 301.434 2.148 20 0 DEADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)COCc1cccs1)C2 ZINC000660653901 425195302 /nfs/dbraw/zinc/19/53/02/425195302.db2.gz DKFIHRMNCHDDCR-DOTOQJQBSA-N 1 3 324.490 2.043 20 0 DEADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)COCc1cccs1)C2 ZINC000660653901 425195307 /nfs/dbraw/zinc/19/53/07/425195307.db2.gz DKFIHRMNCHDDCR-DOTOQJQBSA-N 1 3 324.490 2.043 20 0 DEADHO COc1ccc(NC(=O)C[C@@H](C)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000666857961 425198565 /nfs/dbraw/zinc/19/85/65/425198565.db2.gz RDOFWAASTIGAGV-KGLIPLIRSA-N 1 3 305.422 2.144 20 0 DEADHO C[C@H](NC(=O)NCCC1(C[NH3+])CC1)[C@H](c1ccccc1)N(C)C ZINC000652191407 425208968 /nfs/dbraw/zinc/20/89/68/425208968.db2.gz TZOJEPPUKNHYNC-GOEBONIOSA-N 1 3 318.465 2.106 20 0 DEADHO COCC1(CNCc2ncccc2C(F)(F)F)CC[NH2+]CC1 ZINC000666894772 425206076 /nfs/dbraw/zinc/20/60/76/425206076.db2.gz RBHOAJUONACWRG-UHFFFAOYSA-N 1 3 317.355 2.206 20 0 DEADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC[C@@]3(O)CCOC3)CC2)C1 ZINC000651944316 425153106 /nfs/dbraw/zinc/15/31/06/425153106.db2.gz SEIKWRPMDLLFTM-BPQIPLTHSA-N 1 3 310.482 2.161 20 0 DEADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CC[C@@]3(O)CCOC3)CC2)C1 ZINC000651944316 425153107 /nfs/dbraw/zinc/15/31/07/425153107.db2.gz SEIKWRPMDLLFTM-BPQIPLTHSA-N 1 3 310.482 2.161 20 0 DEADHO Cc1nn(-c2cccc(C)c2)cc1CNCCOCC[NH+](C)C ZINC000651959321 425153488 /nfs/dbraw/zinc/15/34/88/425153488.db2.gz IHBJUQIZJPBESE-UHFFFAOYSA-N 1 3 316.449 2.157 20 0 DEADHO CCN(C(=O)NCC(C)(C)[NH+]1CCCCC1)[C@H]1CCN(CC)C1 ZINC000663446748 425160953 /nfs/dbraw/zinc/16/09/53/425160953.db2.gz FYDXGEGHITXGPR-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000660571994 425165166 /nfs/dbraw/zinc/16/51/66/425165166.db2.gz REPSRNLMFIQPMP-ULQDDVLXSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000660571994 425165169 /nfs/dbraw/zinc/16/51/69/425165169.db2.gz REPSRNLMFIQPMP-ULQDDVLXSA-N 1 3 322.497 2.033 20 0 DEADHO OC[C@@H]1CCCCCN1C/C=C/C[N@@H+]1CCCCC[C@H]1CO ZINC000653783427 425227320 /nfs/dbraw/zinc/22/73/20/425227320.db2.gz KOIFMRHFUVSFIH-VUOWKATKSA-N 1 3 310.482 2.016 20 0 DEADHO OC[C@@H]1CCCCCN1C/C=C/C[N@H+]1CCCCC[C@H]1CO ZINC000653783427 425227326 /nfs/dbraw/zinc/22/73/26/425227326.db2.gz KOIFMRHFUVSFIH-VUOWKATKSA-N 1 3 310.482 2.016 20 0 DEADHO CCN1CCC([N@@H+]2CCCN([C@H]3COC(C)(C)C3)CC2)CC1 ZINC000660832827 425249218 /nfs/dbraw/zinc/24/92/18/425249218.db2.gz BWXJSTCVJPVQBA-QGZVFWFLSA-N 1 3 309.498 2.046 20 0 DEADHO CCN1CCC([N@H+]2CCCN([C@H]3COC(C)(C)C3)CC2)CC1 ZINC000660832827 425249223 /nfs/dbraw/zinc/24/92/23/425249223.db2.gz BWXJSTCVJPVQBA-QGZVFWFLSA-N 1 3 309.498 2.046 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000660840576 425252824 /nfs/dbraw/zinc/25/28/24/425252824.db2.gz ZKXZCYJZCVPVTM-IRXDYDNUSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000660840576 425252828 /nfs/dbraw/zinc/25/28/28/425252828.db2.gz ZKXZCYJZCVPVTM-IRXDYDNUSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)NCCC1CC[NH2+]CC1 ZINC000652196229 425210961 /nfs/dbraw/zinc/21/09/61/425210961.db2.gz LXRYUIZDTJMFTR-KRWDZBQOSA-N 1 3 324.513 2.186 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)NCCC2(C[NH3+])CC2)cc1 ZINC000652204485 425213517 /nfs/dbraw/zinc/21/35/17/425213517.db2.gz UBMDCYRCXCTVQH-MRXNPFEDSA-N 1 3 318.465 2.238 20 0 DEADHO C[C@H]1CN(CCCC[NH2+]Cc2ccnn2CC2CC2)C[C@H](C)O1 ZINC000657367593 425318889 /nfs/dbraw/zinc/31/88/89/425318889.db2.gz QGIJEXGSZUDKEV-HOTGVXAUSA-N 1 3 320.481 2.272 20 0 DEADHO CC[C@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)CO1 ZINC000657378460 425320465 /nfs/dbraw/zinc/32/04/65/425320465.db2.gz WVXLMKZZNQBRIC-SJORKVTESA-N 1 3 309.498 2.094 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCCCCC1 ZINC000654311040 425322587 /nfs/dbraw/zinc/32/25/87/425322587.db2.gz MUAQOGMNVYZVHM-BRWVUGGUSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCCCCC1 ZINC000654311040 425322591 /nfs/dbraw/zinc/32/25/91/425322591.db2.gz MUAQOGMNVYZVHM-BRWVUGGUSA-N 1 3 307.482 2.384 20 0 DEADHO CC1CCN(CCNC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654374479 425336576 /nfs/dbraw/zinc/33/65/76/425336576.db2.gz OQHBJNQCGOKOAM-DLBZAZTESA-N 1 3 322.497 2.034 20 0 DEADHO CC1CCN(CCNC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000654374479 425336578 /nfs/dbraw/zinc/33/65/78/425336578.db2.gz OQHBJNQCGOKOAM-DLBZAZTESA-N 1 3 322.497 2.034 20 0 DEADHO Cc1cccc2[nH]c(C[NH2+]C[C@@H](O)CN3CCCCC3)cc21 ZINC000657327250 425304926 /nfs/dbraw/zinc/30/49/26/425304926.db2.gz VHPYXMKGSOHJLL-MRXNPFEDSA-N 1 3 301.434 2.413 20 0 DEADHO CCOc1ccc(C[NH2+]C[C@H](O)CN2CCCCC2)c(C)c1 ZINC000657327662 425305462 /nfs/dbraw/zinc/30/54/62/425305462.db2.gz XIIWFHUQOSKIAX-KRWDZBQOSA-N 1 3 306.450 2.330 20 0 DEADHO CCC[C@H](C)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000654433945 425352577 /nfs/dbraw/zinc/35/25/77/425352577.db2.gz DJSQECVYSICYQB-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000654451917 425356507 /nfs/dbraw/zinc/35/65/07/425356507.db2.gz KGNZCZLGIFEVKR-OAHLLOKOSA-N 1 3 324.513 2.233 20 0 DEADHO Cc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000664315984 425358895 /nfs/dbraw/zinc/35/88/95/425358895.db2.gz YJUIEOSAZGZVMK-LBPRGKRZSA-N 1 3 312.483 2.450 20 0 DEADHO Cc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000664315984 425358897 /nfs/dbraw/zinc/35/88/97/425358897.db2.gz YJUIEOSAZGZVMK-LBPRGKRZSA-N 1 3 312.483 2.450 20 0 DEADHO CCC[NH+]1CCC(NC(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000654460080 425359122 /nfs/dbraw/zinc/35/91/22/425359122.db2.gz KXABCFOFHYBCHV-IAGOWNOFSA-N 1 3 322.497 2.177 20 0 DEADHO COc1cccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000664314669 425358327 /nfs/dbraw/zinc/35/83/27/425358327.db2.gz OOEBTDYUDDQSBU-AWEZNQCLSA-N 1 3 322.453 2.089 20 0 DEADHO COc1cccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000664314669 425358330 /nfs/dbraw/zinc/35/83/30/425358330.db2.gz OOEBTDYUDDQSBU-AWEZNQCLSA-N 1 3 322.453 2.089 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000654588325 425392044 /nfs/dbraw/zinc/39/20/44/425392044.db2.gz WLDWYUQJYSMDGJ-UHFFFAOYSA-N 1 3 324.513 2.377 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000654588325 425392049 /nfs/dbraw/zinc/39/20/49/425392049.db2.gz WLDWYUQJYSMDGJ-UHFFFAOYSA-N 1 3 324.513 2.377 20 0 DEADHO CNC(=O)CC1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCCC1 ZINC000657762549 425397574 /nfs/dbraw/zinc/39/75/74/425397574.db2.gz KUMWFGSWCXKWBH-CVEARBPZSA-N 1 3 307.482 2.289 20 0 DEADHO CNC(=O)CC1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCCC1 ZINC000657762549 425397578 /nfs/dbraw/zinc/39/75/78/425397578.db2.gz KUMWFGSWCXKWBH-CVEARBPZSA-N 1 3 307.482 2.289 20 0 DEADHO CNC(=O)CC1(C[NH2+][C@@H]2CCN3CCC[C@H]3C2)CCCCC1 ZINC000657762549 425397581 /nfs/dbraw/zinc/39/75/81/425397581.db2.gz KUMWFGSWCXKWBH-CVEARBPZSA-N 1 3 307.482 2.289 20 0 DEADHO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)CCO1 ZINC000657596146 425374165 /nfs/dbraw/zinc/37/41/65/425374165.db2.gz LHORJPPBJAVRTH-IPMKNSEASA-N 1 3 318.461 2.300 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CCO1 ZINC000657612888 425376123 /nfs/dbraw/zinc/37/61/23/425376123.db2.gz DLVIVOHMTYLBSK-CRAIPNDOSA-N 1 3 303.450 2.451 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654566372 425385041 /nfs/dbraw/zinc/38/50/41/425385041.db2.gz AWUXNNJLJOTFBP-IKGGRYGDSA-N 1 3 324.513 2.423 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654566372 425385043 /nfs/dbraw/zinc/38/50/43/425385043.db2.gz AWUXNNJLJOTFBP-IKGGRYGDSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCn3nccc32)C[C@@H](C)O1 ZINC000657920086 425417294 /nfs/dbraw/zinc/41/72/94/425417294.db2.gz WADIDDUOLIDJRM-OAGGEKHMSA-N 1 3 306.454 2.197 20 0 DEADHO CC(C)(C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)[C@H](N)c1ccccc1 ZINC000653193027 425428837 /nfs/dbraw/zinc/42/88/37/425428837.db2.gz AFHDZJFLMZNKAP-FCEWJHQRSA-N 1 3 315.461 2.300 20 0 DEADHO C[C@@H](CN(C)CCC[NH+](C)C)N[C@@H]1CCCc2cccnc21 ZINC000658105669 425439748 /nfs/dbraw/zinc/43/97/48/425439748.db2.gz CIVLZHUUDJGAPV-DOTOQJQBSA-N 1 3 304.482 2.321 20 0 DEADHO COCCC[C@H](C)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658138249 425443973 /nfs/dbraw/zinc/44/39/73/425443973.db2.gz JBXAXQHUHARDRR-YJBOKZPZSA-N 1 3 306.450 2.158 20 0 DEADHO OC/C=C\CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000658142964 425444415 /nfs/dbraw/zinc/44/44/15/425444415.db2.gz ZWBLHETXRDDBIK-IOEMXKATSA-N 1 3 300.446 2.425 20 0 DEADHO OC/C=C\CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000658142964 425444418 /nfs/dbraw/zinc/44/44/18/425444418.db2.gz ZWBLHETXRDDBIK-IOEMXKATSA-N 1 3 300.446 2.425 20 0 DEADHO OC/C=C\C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000658142964 425444421 /nfs/dbraw/zinc/44/44/21/425444421.db2.gz ZWBLHETXRDDBIK-IOEMXKATSA-N 1 3 300.446 2.425 20 0 DEADHO C[C@@H]([NH2+][C@H](C)C1(CO)CC1)c1cccc(OCCN(C)C)c1 ZINC000658159920 425448448 /nfs/dbraw/zinc/44/84/48/425448448.db2.gz MALRLYKLHMVGNK-HUUCEWRRSA-N 1 3 306.450 2.439 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(C(C)C)C3)CC2)CC1 ZINC000654951628 425470652 /nfs/dbraw/zinc/47/06/52/425470652.db2.gz ZYCGGZCFTRHHIW-UHFFFAOYSA-N 1 3 321.509 2.297 20 0 DEADHO O[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000658348774 425474415 /nfs/dbraw/zinc/47/44/15/425474415.db2.gz REVRQDGKHUSHEE-VPAKFMSCSA-N 1 3 300.446 2.400 20 0 DEADHO O[C@H]1C[C@H](N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000658348774 425474419 /nfs/dbraw/zinc/47/44/19/425474419.db2.gz REVRQDGKHUSHEE-VPAKFMSCSA-N 1 3 300.446 2.400 20 0 DEADHO O[C@H]1C[C@H](N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000658348774 425474423 /nfs/dbraw/zinc/47/44/23/425474423.db2.gz REVRQDGKHUSHEE-VPAKFMSCSA-N 1 3 300.446 2.400 20 0 DEADHO CCN(C(=O)NCCC[N@H+](C)CC(C)C)[C@H]1CCN(CC)C1 ZINC000665217248 425521639 /nfs/dbraw/zinc/52/16/39/425521639.db2.gz CAZCXMKZZLPILE-INIZCTEOSA-N 1 3 312.502 2.090 20 0 DEADHO CCN(C(=O)NCCC[N@@H+](C)CC(C)C)[C@H]1CCN(CC)C1 ZINC000665217248 425521641 /nfs/dbraw/zinc/52/16/41/425521641.db2.gz CAZCXMKZZLPILE-INIZCTEOSA-N 1 3 312.502 2.090 20 0 DEADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@H]1CCCCN1 ZINC000665240946 425526654 /nfs/dbraw/zinc/52/66/54/425526654.db2.gz WICKYLRXTZHCNV-VQIMIIECSA-N 1 3 316.493 2.414 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1(N)CCCC1 ZINC000665249230 425528592 /nfs/dbraw/zinc/52/85/92/425528592.db2.gz LUWNJCFMBCBTIM-ZDUSSCGKSA-N 1 3 305.422 2.273 20 0 DEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CNCC[C@@H]2c2ccc(F)cc2)CCN1C ZINC000665257751 425530969 /nfs/dbraw/zinc/53/09/69/425530969.db2.gz SYDATMIZNGOOBV-BNEJOLLZSA-N 1 3 305.441 2.344 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCN2C(C)(C)C)[C@H](C)C1 ZINC000665363342 425554989 /nfs/dbraw/zinc/55/49/89/425554989.db2.gz XUDZZKKRZYKLSF-OAGGEKHMSA-N 1 3 324.513 2.231 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCN2C(C)(C)C)[C@H](C)C1 ZINC000665363342 425554992 /nfs/dbraw/zinc/55/49/92/425554992.db2.gz XUDZZKKRZYKLSF-OAGGEKHMSA-N 1 3 324.513 2.231 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000655493100 425581346 /nfs/dbraw/zinc/58/13/46/425581346.db2.gz BMZKGGWBKBCFOY-INIZCTEOSA-N 1 3 321.440 2.201 20 0 DEADHO NC[C@H](NC(=O)CC[C@@H]([NH3+])CC1CCCCC1)C(F)(F)F ZINC000655518739 425588065 /nfs/dbraw/zinc/58/80/65/425588065.db2.gz LJJJRLKVHQBQHN-NEPJUHHUSA-N 1 3 309.376 2.070 20 0 DEADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000665552588 425594509 /nfs/dbraw/zinc/59/45/09/425594509.db2.gz FGHVSEFMGVMRSH-OAGGEKHMSA-N 1 3 322.497 2.127 20 0 DEADHO CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)C1 ZINC000665555565 425596162 /nfs/dbraw/zinc/59/61/62/425596162.db2.gz GPAZWZMZMQHQEL-LSDHHAIUSA-N 1 3 310.486 2.031 20 0 DEADHO c1ccc(COC2CC[NH+](C[C@@H]3CCC4(CNC4)O3)CC2)cc1 ZINC000662249025 425599980 /nfs/dbraw/zinc/59/99/80/425599980.db2.gz NKPVFMILTZOBJB-SFHVURJKSA-N 1 3 316.445 2.189 20 0 DEADHO COc1cccc(C[C@H]2CCC[N@@H+]2C[C@@H]2CCC3(CNC3)O2)c1 ZINC000662254034 425601641 /nfs/dbraw/zinc/60/16/41/425601641.db2.gz YTSMQJOHKHIQAH-AEFFLSMTSA-N 1 3 316.445 2.223 20 0 DEADHO COc1cccc(C[C@H]2CCC[N@H+]2C[C@@H]2CCC3(CNC3)O2)c1 ZINC000662254034 425601646 /nfs/dbraw/zinc/60/16/46/425601646.db2.gz YTSMQJOHKHIQAH-AEFFLSMTSA-N 1 3 316.445 2.223 20 0 DEADHO CCCC(=O)NC1CCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662251617 425602644 /nfs/dbraw/zinc/60/26/44/425602644.db2.gz GTQDMCHWKXMPKV-UHFFFAOYSA-N 1 3 315.461 2.213 20 0 DEADHO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc3c2CCNC3)C1 ZINC000662258212 425603463 /nfs/dbraw/zinc/60/34/63/425603463.db2.gz SPDVMSPEOZADJO-QGZVFWFLSA-N 1 3 315.461 2.071 20 0 DEADHO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc3c2CCNC3)C1 ZINC000662258212 425603464 /nfs/dbraw/zinc/60/34/64/425603464.db2.gz SPDVMSPEOZADJO-QGZVFWFLSA-N 1 3 315.461 2.071 20 0 DEADHO Cn1cc(C[C@H]2CC[N@H+](Cc3cccc4c3CCNC4)C2)cn1 ZINC000662262527 425605479 /nfs/dbraw/zinc/60/54/79/425605479.db2.gz HDQPGXZNMTXBRV-OAHLLOKOSA-N 1 3 310.445 2.130 20 0 DEADHO Cn1cc(C[C@H]2CC[N@@H+](Cc3cccc4c3CCNC4)C2)cn1 ZINC000662262527 425605483 /nfs/dbraw/zinc/60/54/83/425605483.db2.gz HDQPGXZNMTXBRV-OAHLLOKOSA-N 1 3 310.445 2.130 20 0 DEADHO Cc1nc2c(s1)[C@H](N(C)C[C@H]1CCC3(C[NH2+]C3)O1)CCC2 ZINC000662263218 425605977 /nfs/dbraw/zinc/60/59/77/425605977.db2.gz LGDSXFDGLBRNIB-TZMCWYRMSA-N 1 3 307.463 2.282 20 0 DEADHO Cc1nc2c(s1)[C@H](N(C)C[C@@H]1CCC3(C[NH2+]C3)O1)CCC2 ZINC000662263215 425607145 /nfs/dbraw/zinc/60/71/45/425607145.db2.gz LGDSXFDGLBRNIB-GXTWGEPZSA-N 1 3 307.463 2.282 20 0 DEADHO CCCCN(C)CCNC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659455154 425607504 /nfs/dbraw/zinc/60/75/04/425607504.db2.gz UBECBRRPWCHYTA-QGZVFWFLSA-N 1 3 324.513 2.140 20 0 DEADHO CO[C@H](CN1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000662274079 425609336 /nfs/dbraw/zinc/60/93/36/425609336.db2.gz QVNFUWDNHAZMMC-DLBZAZTESA-N 1 3 304.434 2.061 20 0 DEADHO [NH3+]C[C@H]1CCCc2ccc(C(=O)N[C@@H]3CCN(C4CC4)C3)cc21 ZINC000662410372 425644769 /nfs/dbraw/zinc/64/47/69/425644769.db2.gz RILCRPATWMFQFK-HZPDHXFCSA-N 1 3 313.445 2.032 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662419718 425645865 /nfs/dbraw/zinc/64/58/65/425645865.db2.gz MPRCVPGWNODNDF-RHSMWYFYSA-N 1 3 301.434 2.068 20 0 DEADHO CC(C)[N@H+]1CC[C@H](CNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662419718 425645866 /nfs/dbraw/zinc/64/58/66/425645866.db2.gz MPRCVPGWNODNDF-RHSMWYFYSA-N 1 3 301.434 2.068 20 0 DEADHO CC[C@@H]([NH2+]C)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000662426282 425648904 /nfs/dbraw/zinc/64/89/04/425648904.db2.gz WSYVXSQPNPJDJK-MRXNPFEDSA-N 1 3 321.490 2.214 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(CCc2nnn(C(C)(C)C)n2)CC1 ZINC000659878387 425679358 /nfs/dbraw/zinc/67/93/58/425679358.db2.gz ZNTRZONMSPBURF-UHFFFAOYSA-N 1 3 322.501 2.023 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(CCc2nnn(C(C)(C)C)n2)CC1 ZINC000659878387 425679361 /nfs/dbraw/zinc/67/93/61/425679361.db2.gz ZNTRZONMSPBURF-UHFFFAOYSA-N 1 3 322.501 2.023 20 0 DEADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)C[C@@H]1NCc2ccccc21 ZINC000662462063 425656880 /nfs/dbraw/zinc/65/68/80/425656880.db2.gz GKVGUVAQOQVKRG-RDJZCZTQSA-N 1 3 301.434 2.212 20 0 DEADHO CN1CCC[C@@H](CNC(=O)C[C@H]2CC[NH2+]C2)[C@H]1c1cccs1 ZINC000662474215 425660210 /nfs/dbraw/zinc/66/02/10/425660210.db2.gz UOCLJPSDKIMXLX-KEYYUXOJSA-N 1 3 321.490 2.247 20 0 DEADHO CC[C@@H](NC)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000662483085 425662026 /nfs/dbraw/zinc/66/20/26/425662026.db2.gz AETYQXNELNZCAP-RHSMWYFYSA-N 1 3 319.449 2.344 20 0 DEADHO CC[C@@H](NC)C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000662483085 425662028 /nfs/dbraw/zinc/66/20/28/425662028.db2.gz AETYQXNELNZCAP-RHSMWYFYSA-N 1 3 319.449 2.344 20 0 DEADHO C[C@@H]1C[N@H+](C[C@H]2CCC3(CNC3)O2)CCc2ccc(F)cc21 ZINC000662284957 425614263 /nfs/dbraw/zinc/61/42/63/425614263.db2.gz SCRQPPIDSMDPNZ-CZUORRHYSA-N 1 3 304.409 2.308 20 0 DEADHO C[C@@H]1C[N@@H+](C[C@H]2CCC3(CNC3)O2)CCc2ccc(F)cc21 ZINC000662284957 425614267 /nfs/dbraw/zinc/61/42/67/425614267.db2.gz SCRQPPIDSMDPNZ-CZUORRHYSA-N 1 3 304.409 2.308 20 0 DEADHO CC(C)(C)CCNC(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298765 425617117 /nfs/dbraw/zinc/61/71/17/425617117.db2.gz XUACVNISCXUUFN-INIZCTEOSA-N 1 3 309.498 2.250 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000659512516 425618918 /nfs/dbraw/zinc/61/89/18/425618918.db2.gz PQFZQFBJBQLGFC-SJORKVTESA-N 1 3 320.481 2.482 20 0 DEADHO C[C@@H]1CCCN(Cc2cc(=O)n3ccsc3n2)[C@@H]1CCC[NH3+] ZINC000662313506 425621876 /nfs/dbraw/zinc/62/18/76/425621876.db2.gz SVUBJLQRMFESNS-TZMCWYRMSA-N 1 3 320.462 2.095 20 0 DEADHO CC[C@@H]([NH2+]C)C(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC ZINC000662366039 425633860 /nfs/dbraw/zinc/63/38/60/425633860.db2.gz ZVBAFKYVIBDJFC-IAGOWNOFSA-N 1 3 321.465 2.192 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659614179 425637569 /nfs/dbraw/zinc/63/75/69/425637569.db2.gz WTJPCADAUAOMIE-UHFFFAOYSA-N 1 3 322.497 2.036 20 0 DEADHO C[NH+](C)C1(CNC(=O)C[C@H]2NCc3ccccc32)CCCC1 ZINC000662384107 425638726 /nfs/dbraw/zinc/63/87/26/425638726.db2.gz JFXHJOHUFYBGBU-MRXNPFEDSA-N 1 3 301.434 2.212 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)C[C@@H]1CC=CCC1 ZINC000665760646 425641314 /nfs/dbraw/zinc/64/13/14/425641314.db2.gz MFQUEBSLMXMIEG-DLBZAZTESA-N 1 3 324.513 2.256 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)C[C@@H]1CC=CCC1 ZINC000665760646 425641317 /nfs/dbraw/zinc/64/13/17/425641317.db2.gz MFQUEBSLMXMIEG-DLBZAZTESA-N 1 3 324.513 2.256 20 0 DEADHO CCC1(CC)CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665762806 425641379 /nfs/dbraw/zinc/64/13/79/425641379.db2.gz QQJFFLXLMYTLPG-HNNXBMFYSA-N 1 3 312.502 2.090 20 0 DEADHO CCC1(CC)CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665762806 425641381 /nfs/dbraw/zinc/64/13/81/425641381.db2.gz QQJFFLXLMYTLPG-HNNXBMFYSA-N 1 3 312.502 2.090 20 0 DEADHO CNCc1cccc(NC(=O)c2cc(C3CC[NH2+]CC3)no2)c1 ZINC000662399093 425641780 /nfs/dbraw/zinc/64/17/80/425641780.db2.gz GOJVIEJIPMMUFT-UHFFFAOYSA-N 1 3 314.389 2.113 20 0 DEADHO O=C(C[C@H]1NCc2ccccc21)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000662396724 425641941 /nfs/dbraw/zinc/64/19/41/425641941.db2.gz HDMQZSXJTSOTEL-SJLPKXTDSA-N 1 3 313.445 2.308 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000662589782 425687243 /nfs/dbraw/zinc/68/72/43/425687243.db2.gz DXTIQXBYNQELQG-GDBMZVCRSA-N 1 3 303.450 2.313 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000662589782 425687246 /nfs/dbraw/zinc/68/72/46/425687246.db2.gz DXTIQXBYNQELQG-GDBMZVCRSA-N 1 3 303.450 2.313 20 0 DEADHO CCC[C@](C)(N)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000662659842 425706730 /nfs/dbraw/zinc/70/67/30/425706730.db2.gz VMAITSUPZVDOHP-MJGOQNOKSA-N 1 3 317.477 2.279 20 0 DEADHO CCC[C@](C)(N)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000662659842 425706731 /nfs/dbraw/zinc/70/67/31/425706731.db2.gz VMAITSUPZVDOHP-MJGOQNOKSA-N 1 3 317.477 2.279 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662834705 425744472 /nfs/dbraw/zinc/74/44/72/425744472.db2.gz JFSVYDQWBHXPGF-FGTMMUONSA-N 1 3 313.445 2.354 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662834705 425744475 /nfs/dbraw/zinc/74/44/75/425744475.db2.gz JFSVYDQWBHXPGF-FGTMMUONSA-N 1 3 313.445 2.354 20 0 DEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662682132 425712636 /nfs/dbraw/zinc/71/26/36/425712636.db2.gz FZQROWQRRCTRDD-HNNXBMFYSA-N 1 3 307.482 2.276 20 0 DEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662682132 425712639 /nfs/dbraw/zinc/71/26/39/425712639.db2.gz FZQROWQRRCTRDD-HNNXBMFYSA-N 1 3 307.482 2.276 20 0 DEADHO NC1(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC2(CCC2)C1 ZINC000662705937 425719054 /nfs/dbraw/zinc/71/90/54/425719054.db2.gz WIZSIOVIQAJHIH-UHFFFAOYSA-N 1 3 305.466 2.125 20 0 DEADHO NC1(C(=O)N2CCC[N@H+](C3CCCC3)CC2)CC2(CCC2)C1 ZINC000662705937 425719057 /nfs/dbraw/zinc/71/90/57/425719057.db2.gz WIZSIOVIQAJHIH-UHFFFAOYSA-N 1 3 305.466 2.125 20 0 DEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc3c2CCNC3)C[C@H]1C ZINC000662742290 425726223 /nfs/dbraw/zinc/72/62/23/425726223.db2.gz CQDAMQKBMUNJRY-GDBMZVCRSA-N 1 3 315.461 2.277 20 0 DEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc3c2CCNC3)C[C@H]1C ZINC000662742290 425726227 /nfs/dbraw/zinc/72/62/27/425726227.db2.gz CQDAMQKBMUNJRY-GDBMZVCRSA-N 1 3 315.461 2.277 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](NCCOc2ncccc2C(F)(F)F)C1 ZINC000656198443 425729780 /nfs/dbraw/zinc/72/97/80/425729780.db2.gz XPGUUPCPESXJRW-MNOVXSKESA-N 1 3 303.328 2.339 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000660248090 425775382 /nfs/dbraw/zinc/77/53/82/425775382.db2.gz DCCDUBVDHQCIRG-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NC1CCN(C2CC2)CC1 ZINC000660281621 425783146 /nfs/dbraw/zinc/78/31/46/425783146.db2.gz XWNKSLDRXWNWJS-OAHLLOKOSA-N 1 3 322.497 2.033 20 0 DEADHO CCO[C@@H]1C[C@H](NC[C@H](O)C[N@H+](C)C(C)C)C1(CC)CC ZINC000660313007 425790777 /nfs/dbraw/zinc/79/07/77/425790777.db2.gz OWMWODDVIIZUIU-HRCADAONSA-N 1 3 300.487 2.261 20 0 DEADHO CCO[C@@H]1C[C@H](NC[C@H](O)C[N@@H+](C)C(C)C)C1(CC)CC ZINC000660313007 425790782 /nfs/dbraw/zinc/79/07/82/425790782.db2.gz OWMWODDVIIZUIU-HRCADAONSA-N 1 3 300.487 2.261 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000662867265 425752230 /nfs/dbraw/zinc/75/22/30/425752230.db2.gz JPFRCELRWPZTDA-CYGHRXIMSA-N 1 3 315.461 2.121 20 0 DEADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)CCC(C)(C)[NH3+])C1 ZINC000662872001 425753724 /nfs/dbraw/zinc/75/37/24/425753724.db2.gz HKPIJHOOCFAOCL-KRWDZBQOSA-N 1 3 317.477 2.279 20 0 DEADHO CC(C)N1CCN(C2CC[NH+](Cc3cccc(N)c3)CC2)CC1 ZINC000660152098 425754418 /nfs/dbraw/zinc/75/44/18/425754418.db2.gz ZLSQQLSKZSYRRR-UHFFFAOYSA-N 1 3 316.493 2.259 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000660450125 425815662 /nfs/dbraw/zinc/81/56/62/425815662.db2.gz CPQOKORCCYIBJV-HZPDHXFCSA-N 1 3 324.513 2.280 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000660450125 425815664 /nfs/dbraw/zinc/81/56/64/425815664.db2.gz CPQOKORCCYIBJV-HZPDHXFCSA-N 1 3 324.513 2.280 20 0 DEADHO COc1cc2[nH+]ccc(N3CCNC[C@](C)(F)C3)c2cc1OC ZINC000663243390 425821098 /nfs/dbraw/zinc/82/10/98/425821098.db2.gz ZXVQHJSDGIHPAH-KRWDZBQOSA-N 1 3 319.380 2.390 20 0 DEADHO CCC(=O)N1CCC([NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC000663345925 425830794 /nfs/dbraw/zinc/83/07/94/425830794.db2.gz OVVFVPPGYNBJTE-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]([NH2+]CCC(=O)N(C)c1ccccc1)C1=CCN(C)CC1 ZINC000663360796 425832554 /nfs/dbraw/zinc/83/25/54/425832554.db2.gz UUSSRVYTBQGQKY-OAHLLOKOSA-N 1 3 301.434 2.280 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)C2(C[NH3+])CCCC2)N(C)C)cc1 ZINC000237187758 268593550 /nfs/dbraw/zinc/59/35/50/268593550.db2.gz ACPNKTQBIQEEEJ-MRXNPFEDSA-N 1 3 303.450 2.233 20 0 DEADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](C)NC2CC2)cc1 ZINC000394847446 269101377 /nfs/dbraw/zinc/10/13/77/269101377.db2.gz AJWHFGQHBUKUNL-AWEZNQCLSA-N 1 3 303.450 2.285 20 0 DEADHO Cc1cc(OCCN2CCC(O)(C[NH3+])CC2)ccc1C(C)C ZINC000397034181 269104738 /nfs/dbraw/zinc/10/47/38/269104738.db2.gz PVWHYZCVUMFAER-UHFFFAOYSA-N 1 3 306.450 2.283 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000398132416 269108409 /nfs/dbraw/zinc/10/84/09/269108409.db2.gz JYZYOPJOZZDKHL-KBAYOESNSA-N 1 3 315.461 2.013 20 0 DEADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](N)C2CCC2)cc1 ZINC000399078343 269110643 /nfs/dbraw/zinc/11/06/43/269110643.db2.gz QRCVSMBAYHMNFY-QGZVFWFLSA-N 1 3 303.450 2.272 20 0 DEADHO C[N@H+](CCCN)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496225516 269205866 /nfs/dbraw/zinc/20/58/66/269205866.db2.gz IMIYLQUXGJAQLJ-UHFFFAOYSA-N 1 3 319.449 2.316 20 0 DEADHO C[N@@H+](CCCN)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496225516 269205868 /nfs/dbraw/zinc/20/58/68/269205868.db2.gz IMIYLQUXGJAQLJ-UHFFFAOYSA-N 1 3 319.449 2.316 20 0 DEADHO CN(CCC[NH3+])CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496225516 269205869 /nfs/dbraw/zinc/20/58/69/269205869.db2.gz IMIYLQUXGJAQLJ-UHFFFAOYSA-N 1 3 319.449 2.316 20 0 DEADHO NC(=O)OC[C@H](Cc1ccccc1)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000496327011 269211934 /nfs/dbraw/zinc/21/19/34/269211934.db2.gz NBLMRPGWCFLIGR-OWCLPIDISA-N 1 3 305.422 2.214 20 0 DEADHO CN(CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)C(=O)OC(C)(C)C ZINC000496366716 269215011 /nfs/dbraw/zinc/21/50/11/269215011.db2.gz RLZBIOXDINEGBE-RBSFLKMASA-N 1 3 311.470 2.316 20 0 DEADHO CN(CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)C(=O)OC(C)(C)C ZINC000496366716 269215012 /nfs/dbraw/zinc/21/50/12/269215012.db2.gz RLZBIOXDINEGBE-RBSFLKMASA-N 1 3 311.470 2.316 20 0 DEADHO C[C@@H]1CCN(C)CCN1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000503118266 269308115 /nfs/dbraw/zinc/30/81/15/269308115.db2.gz OUDHVUUYBSLQPU-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CNCc2ccccc21 ZINC000514725101 269329320 /nfs/dbraw/zinc/32/93/20/269329320.db2.gz MYCLXHSNDWQVEK-YJBOKZPZSA-N 1 3 313.445 2.007 20 0 DEADHO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CNCc2ccccc21 ZINC000514725101 269329322 /nfs/dbraw/zinc/32/93/22/269329322.db2.gz MYCLXHSNDWQVEK-YJBOKZPZSA-N 1 3 313.445 2.007 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000516313126 269361029 /nfs/dbraw/zinc/36/10/29/269361029.db2.gz KRDKWZAFACXQGA-HOTGVXAUSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000516313126 269361031 /nfs/dbraw/zinc/36/10/31/269361031.db2.gz KRDKWZAFACXQGA-HOTGVXAUSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[NH+]1CCC(O)(CNCc2ccccc2N(C)C)CC1 ZINC000344666528 273529639 /nfs/dbraw/zinc/52/96/39/273529639.db2.gz FMOVPRTUVPKYER-UHFFFAOYSA-N 1 3 305.466 2.078 20 0 DEADHO Cc1cccc(N2CCC([NH2+][C@H]3CCCC[C@@H]3CN)CC2)n1 ZINC000422771701 274793641 /nfs/dbraw/zinc/79/36/41/274793641.db2.gz YGMRUHGETJFQRL-WBVHZDCISA-N 1 3 302.466 2.466 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC2CCCC2)C[C@@H]1C ZINC001423454967 1173358874 /nfs/dbraw/zinc/35/88/74/1173358874.db2.gz ROPZKEJXIGJALF-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)N1CCCCC1 ZINC000342715945 276012011 /nfs/dbraw/zinc/01/20/11/276012011.db2.gz PYKLZRZJSYTPSS-YLFCFFPRSA-N 1 3 307.482 2.083 20 0 DEADHO CCN(C(=O)[C@@H]1CC[NH2+]C1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000368454532 276063432 /nfs/dbraw/zinc/06/34/32/276063432.db2.gz SSTNNHKYPJMOCI-KBAYOESNSA-N 1 3 315.461 2.280 20 0 DEADHO CCC(O)(CC)CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422971546 276213955 /nfs/dbraw/zinc/21/39/55/276213955.db2.gz JBQNTQWXVKTHKI-QAPCUYQASA-N 1 3 304.434 2.383 20 0 DEADHO CC[NH2+]Cc1cccc(NC(=O)N2CC[C@H]3CCN(C)C[C@H]32)c1 ZINC000415923858 276267159 /nfs/dbraw/zinc/26/71/59/276267159.db2.gz VRIDOBRJMMUKQX-NVXWUHKLSA-N 1 3 316.449 2.354 20 0 DEADHO CN1CCC2(CC1)C[C@@H]([NH2+]CC1(O)CCC1)c1ccccc1O2 ZINC000378443527 277035479 /nfs/dbraw/zinc/03/54/79/277035479.db2.gz SROOVGBXYCEVMW-MRXNPFEDSA-N 1 3 316.445 2.479 20 0 DEADHO CN1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000351597636 277043660 /nfs/dbraw/zinc/04/36/60/277043660.db2.gz QSMWTGSGRLHWRG-HZPDHXFCSA-N 1 3 317.481 2.278 20 0 DEADHO CN1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000351597636 277043662 /nfs/dbraw/zinc/04/36/62/277043662.db2.gz QSMWTGSGRLHWRG-HZPDHXFCSA-N 1 3 317.481 2.278 20 0 DEADHO CN1CCCC[C@H]1CC[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000366231903 277045931 /nfs/dbraw/zinc/04/59/31/277045931.db2.gz CDQGSUIINCOJMI-INIZCTEOSA-N 1 3 307.482 2.338 20 0 DEADHO C[NH2+]C[C@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000237078514 277283266 /nfs/dbraw/zinc/28/32/66/277283266.db2.gz GWXIZQUVWZUMHO-QGZVFWFLSA-N 1 3 315.461 2.354 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCCN(C)[C@@H]2C)C1 ZINC000344290346 277396183 /nfs/dbraw/zinc/39/61/83/277396183.db2.gz NARYXOKSTIKHCP-BRWVUGGUSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCCN(C)[C@@H]2C)C1 ZINC000344290346 277396184 /nfs/dbraw/zinc/39/61/84/277396184.db2.gz NARYXOKSTIKHCP-BRWVUGGUSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000458935394 277439217 /nfs/dbraw/zinc/43/92/17/277439217.db2.gz LYXASKGAJFJGNR-SJORKVTESA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H](C(=O)N[C@H](C[NH3+])C1CCCCC1)[C@H](N)c1ccccc1 ZINC000262600822 278154935 /nfs/dbraw/zinc/15/49/35/278154935.db2.gz PCOWWZHOPODVCR-XKQJLSEDSA-N 1 3 303.450 2.346 20 0 DEADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCC3(O)CCOCC3)CC2)C1 ZINC000305171077 278352141 /nfs/dbraw/zinc/35/21/41/278352141.db2.gz ZTESFDDXIJPPNI-RDJZCZTQSA-N 1 3 310.482 2.161 20 0 DEADHO C[C@H]1CCC[C@H](N2CCC([NH2+]CC3(O)CCOCC3)CC2)C1 ZINC000305171077 278352142 /nfs/dbraw/zinc/35/21/42/278352142.db2.gz ZTESFDDXIJPPNI-RDJZCZTQSA-N 1 3 310.482 2.161 20 0 DEADHO C[C@@H]1C[C@@H](CN2CCN(C(=O)CCC3CCCC3)CC2)CC[NH2+]1 ZINC000414676451 278891898 /nfs/dbraw/zinc/89/18/98/278891898.db2.gz NKSJMRYCLMNBFF-AEFFLSMTSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000247090777 288107716 /nfs/dbraw/zinc/10/77/16/288107716.db2.gz NZURPQSYUHMTLF-XYVMCAHJSA-N 1 3 321.509 2.486 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000247090777 288107718 /nfs/dbraw/zinc/10/77/18/288107718.db2.gz NZURPQSYUHMTLF-XYVMCAHJSA-N 1 3 321.509 2.486 20 0 DEADHO C[C@@](O)(CNC1CC[NH+](C2CC2)CC1)c1ccc(F)cc1F ZINC000298475880 279150915 /nfs/dbraw/zinc/15/09/15/279150915.db2.gz PFNCANRRRSJHQA-QGZVFWFLSA-N 1 3 310.388 2.389 20 0 DEADHO CC(C)C[C@H](N)C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000449648967 279177486 /nfs/dbraw/zinc/17/74/86/279177486.db2.gz VHRMFBXELDNMPI-UAGQMJEPSA-N 1 3 321.440 2.008 20 0 DEADHO CCN(CCNC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C1CC1 ZINC000245391517 279198633 /nfs/dbraw/zinc/19/86/33/279198633.db2.gz QKDSBASMSORIPI-HZPDHXFCSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](CNC(=O)CC[C@H]1CC[NH2+]C1)N(C)Cc1ccccc1 ZINC000261923864 279327281 /nfs/dbraw/zinc/32/72/81/279327281.db2.gz XZXQLGSFIYUNNF-CVEARBPZSA-N 1 3 303.450 2.013 20 0 DEADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@H]1CCCC[NH2+]1 ZINC000163617209 279848445 /nfs/dbraw/zinc/84/84/45/279848445.db2.gz MGZKHCHXKUGLSW-SJORKVTESA-N 1 3 301.434 2.082 20 0 DEADHO CC[C@@H](C)C[N@H+](C)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000249272711 280094345 /nfs/dbraw/zinc/09/43/45/280094345.db2.gz BSEOJHIRUNIZRH-NVXWUHKLSA-N 1 3 305.466 2.383 20 0 DEADHO CC[C@@H](C)C[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000249272711 280094347 /nfs/dbraw/zinc/09/43/47/280094347.db2.gz BSEOJHIRUNIZRH-NVXWUHKLSA-N 1 3 305.466 2.383 20 0 DEADHO O=C([C@H](C1CC1)N1CCCC1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000339204511 280122413 /nfs/dbraw/zinc/12/24/13/280122413.db2.gz HETWDPGBADYCBV-SFHVURJKSA-N 1 3 319.493 2.195 20 0 DEADHO O=C([C@H](C1CC1)N1CCCC1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000339204511 280122415 /nfs/dbraw/zinc/12/24/15/280122415.db2.gz HETWDPGBADYCBV-SFHVURJKSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@]1(C(N)=O)CC[N@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411664788 280152531 /nfs/dbraw/zinc/15/25/31/280152531.db2.gz RPXGDLQHOJDPQB-IBGZPJMESA-N 1 3 315.461 2.370 20 0 DEADHO C[C@]1(C(N)=O)CC[N@@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411664788 280152533 /nfs/dbraw/zinc/15/25/33/280152533.db2.gz RPXGDLQHOJDPQB-IBGZPJMESA-N 1 3 315.461 2.370 20 0 DEADHO Cc1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])c(N2CCOCC2)c1 ZINC000422870303 280832945 /nfs/dbraw/zinc/83/29/45/280832945.db2.gz XOZNAXGMSLXCKP-WBVHZDCISA-N 1 3 303.450 2.049 20 0 DEADHO CCc1ccc(C[NH2+]C[C@@H](C)CN2CCN(CC)CC2)cn1 ZINC000352814024 281405299 /nfs/dbraw/zinc/40/52/99/281405299.db2.gz JUDGSQGOLROTIO-MRXNPFEDSA-N 1 3 304.482 2.007 20 0 DEADHO C[NH+](C)C1(CNC(=O)[C@@H]2CCCCN2C2CCCC2)CCC1 ZINC000451007115 289053978 /nfs/dbraw/zinc/05/39/78/289053978.db2.gz IYFVCDMWINEZIV-INIZCTEOSA-N 1 3 307.482 2.384 20 0 DEADHO CN(C)Cc1cccc(CNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000417076676 289225428 /nfs/dbraw/zinc/22/54/28/289225428.db2.gz WNKKYFSQHVCTPD-SJORKVTESA-N 1 3 318.465 2.065 20 0 DEADHO C[C@H](NC1CC1)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000449118925 289935356 /nfs/dbraw/zinc/93/53/56/289935356.db2.gz UZXQHNDJAKOHFD-HOTGVXAUSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CCCO1 ZINC000422829156 290031053 /nfs/dbraw/zinc/03/10/53/290031053.db2.gz HFVGIISJBJYXNZ-AAJLLMFJSA-N 1 3 302.418 2.399 20 0 DEADHO CN1CCO[C@@H]([C@@H](NCCCC[NH3+])c2ccc(Cl)cc2)C1 ZINC000423318812 290078476 /nfs/dbraw/zinc/07/84/76/290078476.db2.gz DTWNKEFSSXDEPI-CVEARBPZSA-N 1 3 311.857 2.040 20 0 DEADHO C[C@H]1CC2(CN1CC(=O)NC1CCC(C)CC1)CC[NH2+]CC2 ZINC000424284119 290363685 /nfs/dbraw/zinc/36/36/85/290363685.db2.gz COMDCTOKKPWJLS-PCKAHOCUSA-N 1 3 307.482 2.145 20 0 DEADHO COc1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1NC(C)=O ZINC000422840123 533693912 /nfs/dbraw/zinc/69/39/12/533693912.db2.gz BBKSAYNNSCUBLC-HUUCEWRRSA-N 1 3 305.422 2.261 20 0 DEADHO COc1cc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)ccc1C ZINC000422787156 294979592 /nfs/dbraw/zinc/97/95/92/294979592.db2.gz RBXLSJPQOBQUDP-KZNAEPCWSA-N 1 3 318.461 2.293 20 0 DEADHO COc1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3CN)CCOCC2)cc1 ZINC000422905465 295113487 /nfs/dbraw/zinc/11/34/87/295113487.db2.gz ZCFWSPNFXBIOJJ-MAUKXSAKSA-N 1 3 318.461 2.460 20 0 DEADHO NC[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccc2ccccc2c1 ZINC000261882868 295243484 /nfs/dbraw/zinc/24/34/84/295243484.db2.gz UIRJTNYTNKXLBE-KZNAEPCWSA-N 1 3 311.429 2.331 20 0 DEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCc1nnc2n1CCCCC2 ZINC000422927287 295248921 /nfs/dbraw/zinc/24/89/21/295248921.db2.gz YQBOUPLXDOGGIS-GJZGRUSLSA-N 1 3 305.470 2.044 20 0 DEADHO [NH3+][C@@H](C(=O)NC[C@@H](c1cccs1)N1CCCC1)C1CCC1 ZINC000423303771 295292796 /nfs/dbraw/zinc/29/27/96/295292796.db2.gz JMNDRKQKVXBWEI-DZGCQCFKSA-N 1 3 307.463 2.129 20 0 DEADHO C[C@H]1CCN(C(=O)NCC(C)(C)N2CCCCC2)[C@H](C[NH3+])C1 ZINC000416836324 299934527 /nfs/dbraw/zinc/93/45/27/299934527.db2.gz VAPNQKULQRQBDH-GJZGRUSLSA-N 1 3 310.486 2.020 20 0 DEADHO C[C@H](C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)N1[C@H](C)CC[C@@H]1C ZINC000413634345 298035781 /nfs/dbraw/zinc/03/57/81/298035781.db2.gz XDWQUWPOJYCARX-JJTUDDRGSA-N 1 3 307.482 2.190 20 0 DEADHO C[C@H](C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)N1[C@H](C)CC[C@@H]1C ZINC000413634345 298035784 /nfs/dbraw/zinc/03/57/84/298035784.db2.gz XDWQUWPOJYCARX-JJTUDDRGSA-N 1 3 307.482 2.190 20 0 DEADHO Cc1cc(Cl)c2c(c1)[C@H](NCCN1CC[NH2+]CC1)CCCO2 ZINC000423201979 301284513 /nfs/dbraw/zinc/28/45/13/301284513.db2.gz JXMRHDQGNHHRBH-MRXNPFEDSA-N 1 3 323.868 2.357 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@@H]([NH3+])C1)N(C)C ZINC000418185996 302202991 /nfs/dbraw/zinc/20/29/91/302202991.db2.gz RHLUGRKVARIERL-UXLLHSPISA-N 1 3 318.465 2.119 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H]([NH3+])C1CC1)N(C)C ZINC000418177600 302205172 /nfs/dbraw/zinc/20/51/72/302205172.db2.gz HYJAKHXYQUBVOH-JQFCIGGWSA-N 1 3 318.465 2.023 20 0 DEADHO O=C(CN1CCC2(CC[NH2+]C2)CC1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000431043766 303604033 /nfs/dbraw/zinc/60/40/33/303604033.db2.gz SDTWQXIWHSEDAD-IRXDYDNUSA-N 1 3 319.493 2.243 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+]C[C@@H](O)CC(F)(F)F)cc1 ZINC000573834305 326097104 /nfs/dbraw/zinc/09/71/04/326097104.db2.gz XMVIHYVFAFGIJV-ZDUSSCGKSA-N 1 3 320.355 2.030 20 0 DEADHO C[C@H]1CCN(CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000575210229 326229165 /nfs/dbraw/zinc/22/91/65/326229165.db2.gz AAZMPVVBYJRCMQ-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1CCN(CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000575210229 326229166 /nfs/dbraw/zinc/22/91/66/326229166.db2.gz AAZMPVVBYJRCMQ-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1ccc(CNC(=O)[C@H](C)N2CCC(CC[NH3+])CC2)cc1 ZINC000576166692 326274304 /nfs/dbraw/zinc/27/43/04/326274304.db2.gz ZENLVVYMPASYDM-HNNXBMFYSA-N 1 3 303.450 2.061 20 0 DEADHO Cc1ccc(NC(=O)CCN[C@H](C)C(C)(C)C[NH+](C)C)nc1 ZINC000576864621 326324951 /nfs/dbraw/zinc/32/49/51/326324951.db2.gz XWHCQKXDUBAFSH-CQSZACIVSA-N 1 3 306.454 2.285 20 0 DEADHO CC[N@H+](C)C[C@@H](O)CN(C)C[C@@H](C)Cc1ccc(OC)cc1 ZINC000577289640 326355575 /nfs/dbraw/zinc/35/55/75/326355575.db2.gz CENONWLPCHCJFC-DOTOQJQBSA-N 1 3 308.466 2.118 20 0 DEADHO CC[N@@H+](C)C[C@@H](O)CN(C)C[C@@H](C)Cc1ccc(OC)cc1 ZINC000577289640 326355576 /nfs/dbraw/zinc/35/55/76/326355576.db2.gz CENONWLPCHCJFC-DOTOQJQBSA-N 1 3 308.466 2.118 20 0 DEADHO O=C(NC1CCCCC1)N1CCC([NH2+][C@@H]2CCCNCC2)CC1 ZINC000580708706 332923457 /nfs/dbraw/zinc/92/34/57/332923457.db2.gz NHQDAXMIPUZWTE-MRXNPFEDSA-N 1 3 322.497 2.225 20 0 DEADHO Cc1cccc(C(=O)NCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000583018707 337225448 /nfs/dbraw/zinc/22/54/48/337225448.db2.gz FJFUUMJTARYKRP-KURKYZTESA-N 1 3 315.461 2.235 20 0 DEADHO CC[C@@H](N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000583022998 337226190 /nfs/dbraw/zinc/22/61/90/337226190.db2.gz NYNVFRMFDIYVBX-CZUORRHYSA-N 1 3 305.422 2.083 20 0 DEADHO CC[C@@H](N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000583022998 337226191 /nfs/dbraw/zinc/22/61/91/337226191.db2.gz NYNVFRMFDIYVBX-CZUORRHYSA-N 1 3 305.422 2.083 20 0 DEADHO CCC[NH+]1CCN(c2ccccc2CN[C@@H]2C[C@@H]2OCC)CC1 ZINC000583122753 337244199 /nfs/dbraw/zinc/24/41/99/337244199.db2.gz VASUTWZDAQVWAI-MJGOQNOKSA-N 1 3 317.477 2.486 20 0 DEADHO C[C@@H](CC(=O)Nc1cccc2c1CCNC2)[C@H]1CCC[NH2+]C1 ZINC000583252334 337289993 /nfs/dbraw/zinc/28/99/93/337289993.db2.gz CGWUTKNHIVSENE-KBPBESRZSA-N 1 3 301.434 2.297 20 0 DEADHO CC[C@H](C(=O)NCC[C@@H](C)[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001377100031 1159899114 /nfs/dbraw/zinc/89/91/14/1159899114.db2.gz MBNMTFVKRQCVTG-GDBMZVCRSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccc(F)cc1 ZINC001378341689 1152299292 /nfs/dbraw/zinc/29/92/92/1152299292.db2.gz PHWUUCNLEDRBFS-INIZCTEOSA-N 1 3 309.429 2.150 20 0 DEADHO CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001398601756 1161010633 /nfs/dbraw/zinc/01/06/33/1161010633.db2.gz ZKYWVIGDZMXTRA-CVEARBPZSA-N 1 3 309.498 2.297 20 0 DEADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]C/C=C/c2ccccc2)C1 ZINC001369582283 1149051158 /nfs/dbraw/zinc/05/11/58/1149051158.db2.gz INQHVIIXBUPHTN-VMPITWQZSA-N 1 3 324.428 2.245 20 0 DEADHO CC[C@H](C(=O)NC1(C2CC[NH+](CC3CC3)CC2)CC1)N(C)C ZINC001369584736 1149052237 /nfs/dbraw/zinc/05/22/37/1149052237.db2.gz OOPTUQMPULCBIL-MRXNPFEDSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](NC1CC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000294927197 533801519 /nfs/dbraw/zinc/80/15/19/533801519.db2.gz CYFUNTYTSNKNHY-MPGHIAIKSA-N 1 3 315.461 2.296 20 0 DEADHO C[C@H](NC1CC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000294927197 533801525 /nfs/dbraw/zinc/80/15/25/533801525.db2.gz CYFUNTYTSNKNHY-MPGHIAIKSA-N 1 3 315.461 2.296 20 0 DEADHO C[C@H](NC1CC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000294927210 533801776 /nfs/dbraw/zinc/80/17/76/533801776.db2.gz CYFUNTYTSNKNHY-VKJFTORMSA-N 1 3 315.461 2.296 20 0 DEADHO C[C@H](NC1CC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000294927210 533801784 /nfs/dbraw/zinc/80/17/84/533801784.db2.gz CYFUNTYTSNKNHY-VKJFTORMSA-N 1 3 315.461 2.296 20 0 DEADHO Cc1cccc(C)c1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001378800603 1152450129 /nfs/dbraw/zinc/45/01/29/1152450129.db2.gz FEVIIJWBNKWYKA-SJLPKXTDSA-N 1 3 317.477 2.334 20 0 DEADHO C[C@@H](CNC(=O)C[C@@H](N)c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000448236417 533903410 /nfs/dbraw/zinc/90/34/10/533903410.db2.gz BHKOMBSVSJVITK-HLLBOEOZSA-N 1 3 303.450 2.456 20 0 DEADHO C[C@@H](CNC(=O)C[C@@H](N)c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000448236417 533903418 /nfs/dbraw/zinc/90/34/18/533903418.db2.gz BHKOMBSVSJVITK-HLLBOEOZSA-N 1 3 303.450 2.456 20 0 DEADHO COc1cc(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])c2ccccc2n1 ZINC000423011125 533899986 /nfs/dbraw/zinc/89/99/86/533899986.db2.gz ZBURJYLUEZTETE-APHBMKBZSA-N 1 3 315.417 2.085 20 0 DEADHO CCc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH]cn1 ZINC001378825469 1152459036 /nfs/dbraw/zinc/45/90/36/1152459036.db2.gz PRXCSZCOJRMGRN-CQSZACIVSA-N 1 3 314.433 2.151 20 0 DEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCN(C(=O)C1CCC1)C1CC1 ZINC000422958782 534071249 /nfs/dbraw/zinc/07/12/49/534071249.db2.gz PYDPEEWJCJRRTR-RHSMWYFYSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000422847187 534072403 /nfs/dbraw/zinc/07/24/03/534072403.db2.gz HPOXUEPMTMWQOX-QZTJIDSGSA-N 1 3 323.525 2.247 20 0 DEADHO C[C@@H]1CCN[C@@H](C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000417833785 534104059 /nfs/dbraw/zinc/10/40/59/534104059.db2.gz UUVVXCDLLLDXSW-NOZJJQNGSA-N 1 3 315.339 2.491 20 0 DEADHO COc1ccccc1N1CC[C@H](N[C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422880612 534158768 /nfs/dbraw/zinc/15/87/68/534158768.db2.gz XBBJWNJAULJECK-JYJNAYRXSA-N 1 3 303.450 2.252 20 0 DEADHO COc1ccc(OC(F)F)c(CNCC[C@@H]2CC[NH2+]C2)c1 ZINC000414831753 534219063 /nfs/dbraw/zinc/21/90/63/534219063.db2.gz NSQXTSQLUJBPCI-NSHDSACASA-N 1 3 300.349 2.386 20 0 DEADHO COC(=O)c1cccc(OCCN2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000422625224 534280199 /nfs/dbraw/zinc/28/01/99/534280199.db2.gz AYQNAANDQOWOAN-YCPHGPKFSA-N 1 3 320.433 2.157 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCOC[C@H]1CCCO1 ZINC000422793248 534349375 /nfs/dbraw/zinc/34/93/75/534349375.db2.gz WTZHSMAANDSIHE-CZUORRHYSA-N 1 3 307.438 2.085 20 0 DEADHO FC(F)(F)CN1CCC(C[NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000188505510 534388069 /nfs/dbraw/zinc/38/80/69/534388069.db2.gz KSZOQZYKGKQFIU-LSDHHAIUSA-N 1 3 319.415 2.477 20 0 DEADHO CC[NH+](CC)CCNC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000339462583 520678232 /nfs/dbraw/zinc/67/82/32/520678232.db2.gz AIXDUKQOAUQEBX-UHFFFAOYSA-N 1 3 322.453 2.090 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C)c1 ZINC001368667510 1148562043 /nfs/dbraw/zinc/56/20/43/1148562043.db2.gz NZVYKYLGZVLGNO-WMZOPIPTSA-N 1 3 317.477 2.272 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]CCCn2ccnc2C)[C@H](C)C1 ZINC000338009029 521706944 /nfs/dbraw/zinc/70/69/44/521706944.db2.gz AXCKZSYWBWGHNR-SJLPKXTDSA-N 1 3 322.497 2.308 20 0 DEADHO CCc1cc(OC)ccc1C[NH2+]C1CCN(CCN(C)C)CC1 ZINC000337337059 523838274 /nfs/dbraw/zinc/83/82/74/523838274.db2.gz MPBJUIPVNCWIND-UHFFFAOYSA-N 1 3 319.493 2.373 20 0 DEADHO C[C@@H](CCn1cccn1)[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000158658657 524553172 /nfs/dbraw/zinc/55/31/72/524553172.db2.gz XKNFOCALUJRXOY-INIZCTEOSA-N 1 3 316.449 2.392 20 0 DEADHO C[C@@H]([NH2+]CCc1cnn(C)c1)c1cccc(OCCN(C)C)c1 ZINC000127834176 525467417 /nfs/dbraw/zinc/46/74/17/525467417.db2.gz HDLCIVLNUNJPRF-OAHLLOKOSA-N 1 3 316.449 2.254 20 0 DEADHO C[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000158805883 525651647 /nfs/dbraw/zinc/65/16/47/525651647.db2.gz TYEKTPHYXMWQDR-UXLLHSPISA-N 1 3 303.450 2.136 20 0 DEADHO C[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000158805883 525651654 /nfs/dbraw/zinc/65/16/54/525651654.db2.gz TYEKTPHYXMWQDR-UXLLHSPISA-N 1 3 303.450 2.136 20 0 DEADHO Cc1nn(C)c2ncc(CN3CCC(C[NH+](C)C)CC3)cc12 ZINC000336855333 527685210 /nfs/dbraw/zinc/68/52/10/527685210.db2.gz HLDGBTUUMOBNHJ-UHFFFAOYSA-N 1 3 301.438 2.050 20 0 DEADHO CCCN(C(=O)NC[C@@H]1N(C)CCCC1(C)C)C1CC[NH2+]CC1 ZINC000418101777 527757442 /nfs/dbraw/zinc/75/74/42/527757442.db2.gz SHYMBIQCDLODAL-INIZCTEOSA-N 1 3 324.513 2.280 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](N)c2ccccc2)C[C@@H]1C ZINC000448228256 527821357 /nfs/dbraw/zinc/82/13/57/527821357.db2.gz DMUGACXNFOVWFD-XIRDDKMYSA-N 1 3 303.450 2.408 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H](N)c2ccccc2)C[C@@H]1C ZINC000448228256 527821361 /nfs/dbraw/zinc/82/13/61/527821361.db2.gz DMUGACXNFOVWFD-XIRDDKMYSA-N 1 3 303.450 2.408 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC000448434607 527981544 /nfs/dbraw/zinc/98/15/44/527981544.db2.gz HNGOGEBHJGTCNV-YESZJQIVSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC000448434607 527981551 /nfs/dbraw/zinc/98/15/51/527981551.db2.gz HNGOGEBHJGTCNV-YESZJQIVSA-N 1 3 309.498 2.343 20 0 DEADHO CC[NH+](CC)Cc1ccccc1CNC(=O)CN(C)C(C)C ZINC000299496026 528199096 /nfs/dbraw/zinc/19/90/96/528199096.db2.gz JXCJNSOIMYKSHW-UHFFFAOYSA-N 1 3 305.466 2.485 20 0 DEADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3C[C@H](C)CCN3)C2)CC1 ZINC000423361339 528251696 /nfs/dbraw/zinc/25/16/96/528251696.db2.gz RQUGRCAQMDGINF-FGTMMUONSA-N 1 3 321.509 2.345 20 0 DEADHO CC[NH2+][C@H](C)CNC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000418166677 528408058 /nfs/dbraw/zinc/40/80/58/528408058.db2.gz LHMNFDLRRHSQMO-MGPQQGTHSA-N 1 3 310.442 2.006 20 0 DEADHO CC(C)[C@@H](C[NH2+][C@H](C)C[C@@H]1COCCN1)N1CCC(C)CC1 ZINC000422850912 528465699 /nfs/dbraw/zinc/46/56/99/528465699.db2.gz WGTZBICPDHJTKW-KZNAEPCWSA-N 1 3 311.514 2.100 20 0 DEADHO CC(C)[C@@H](CN[C@H](C)C[C@@H]1COCCN1)[NH+]1CCC(C)CC1 ZINC000422850912 528465702 /nfs/dbraw/zinc/46/57/02/528465702.db2.gz WGTZBICPDHJTKW-KZNAEPCWSA-N 1 3 311.514 2.100 20 0 DEADHO CCC[NH2+]CCNC(=O)N(CCC)CCN1CCCCCC1 ZINC000418493847 528484616 /nfs/dbraw/zinc/48/46/16/528484616.db2.gz YSXXTPMQCDIMCS-UHFFFAOYSA-N 1 3 312.502 2.284 20 0 DEADHO CCN(Cc1ccc(C(=O)NC[C@H]2CCC[NH2+]C2)cc1)C1CC1 ZINC000428618774 528775219 /nfs/dbraw/zinc/77/52/19/528775219.db2.gz FUCSERRSIOXPQY-INIZCTEOSA-N 1 3 315.461 2.400 20 0 DEADHO CCCC[C@@H]([NH3+])C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000442711016 528835870 /nfs/dbraw/zinc/83/58/70/528835870.db2.gz GIDAOLHEYNVOFV-QGZVFWFLSA-N 1 3 319.449 2.099 20 0 DEADHO CCC(CC)[C@H](CN[C@@H]1CC[NH2+]CC[C@@H]1C)N1CCOCC1 ZINC000422815042 528856094 /nfs/dbraw/zinc/85/60/94/528856094.db2.gz APKGCYGGLHVOOY-JQHSSLGASA-N 1 3 311.514 2.101 20 0 DEADHO CC(C)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)N1CCOCC1 ZINC000422806778 529015567 /nfs/dbraw/zinc/01/55/67/529015567.db2.gz NRHDMXJRRAJYQL-MANSERQUSA-N 1 3 323.525 2.244 20 0 DEADHO CC(C)[C@H](C[NH2+][C@H](C1CC1)[C@@H]1CNCCO1)N1CCCCCC1 ZINC000422969189 529016389 /nfs/dbraw/zinc/01/63/89/529016389.db2.gz ZAWACCOZNZQONP-GBESFXJTSA-N 1 3 323.525 2.244 20 0 DEADHO CC(C)[C@H](CN[C@H](C1CC1)[C@@H]1CNCCO1)[NH+]1CCCCCC1 ZINC000422969189 529016394 /nfs/dbraw/zinc/01/63/94/529016394.db2.gz ZAWACCOZNZQONP-GBESFXJTSA-N 1 3 323.525 2.244 20 0 DEADHO CC(C)N1CC[C@@H](N(C)C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000418452842 529060479 /nfs/dbraw/zinc/06/04/79/529060479.db2.gz YHTOHALCTDFKKF-QGZVFWFLSA-N 1 3 324.513 2.423 20 0 DEADHO CCN1CCN(Cc2ccc(CN[C@H](C)C[C@H](C)[NH3+])cc2)CC1 ZINC000422896316 529149181 /nfs/dbraw/zinc/14/91/81/529149181.db2.gz XQTDTTDNTNNYQR-DLBZAZTESA-N 1 3 318.509 2.040 20 0 DEADHO CC[C@@H](NCC1(N(C)C)Cc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422780631 529157410 /nfs/dbraw/zinc/15/74/10/529157410.db2.gz JOMVVLJVQXWYAQ-MSOLQXFVSA-N 1 3 301.478 2.206 20 0 DEADHO CC[C@@H](NCCOCC[NH+](C)C)c1ccc2c(c1)OCCO2 ZINC000447603038 529166184 /nfs/dbraw/zinc/16/61/84/529166184.db2.gz VDDBYFWDGOQTCP-OAHLLOKOSA-N 1 3 308.422 2.077 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)c1ccco1 ZINC000418168029 529182460 /nfs/dbraw/zinc/18/24/60/529182460.db2.gz NLTPXYBCXVQGHM-BYNSBNAKSA-N 1 3 322.453 2.088 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000417708421 529272462 /nfs/dbraw/zinc/27/24/62/529272462.db2.gz VUEUQOAQXIVJQG-JKSUJKDBSA-N 1 3 310.486 2.021 20 0 DEADHO CC(C)[NH+](CCN(C)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)C(C)C ZINC000355943495 535059587 /nfs/dbraw/zinc/05/95/87/535059587.db2.gz MVZXBUXHGHFQKZ-CVEARBPZSA-N 1 3 324.513 2.372 20 0 DEADHO CC(C)N1CCN(CCC[NH+]2CCC([C@@H]3CCCO3)CC2)CC1 ZINC000192840968 535199829 /nfs/dbraw/zinc/19/98/29/535199829.db2.gz SNUMBAFCAUYHMR-IBGZPJMESA-N 1 3 323.525 2.294 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000358107201 535256342 /nfs/dbraw/zinc/25/63/42/535256342.db2.gz SJLVDOCETBFCRC-HOTGVXAUSA-N 1 3 322.497 2.010 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000358107201 535256344 /nfs/dbraw/zinc/25/63/44/535256344.db2.gz SJLVDOCETBFCRC-HOTGVXAUSA-N 1 3 322.497 2.010 20 0 DEADHO CCN1CCN(CCCC[NH2+]CC2(OC)CCCCC2)CC1 ZINC000359950722 535694181 /nfs/dbraw/zinc/69/41/81/535694181.db2.gz UCWQJLZVSLVPBY-UHFFFAOYSA-N 1 3 311.514 2.343 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000248197891 536023469 /nfs/dbraw/zinc/02/34/69/536023469.db2.gz XQXQQOTZIJSEPG-QZTJIDSGSA-N 1 3 315.461 2.305 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000248197891 536023474 /nfs/dbraw/zinc/02/34/74/536023474.db2.gz XQXQQOTZIJSEPG-QZTJIDSGSA-N 1 3 315.461 2.305 20 0 DEADHO CN(C)Cc1cccc(CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])c1 ZINC000263107201 536031392 /nfs/dbraw/zinc/03/13/92/536031392.db2.gz AAOQKHYCYDAYRX-FUHWJXTLSA-N 1 3 303.450 2.272 20 0 DEADHO C[NH+]1CCC(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC1 ZINC000263019770 536334504 /nfs/dbraw/zinc/33/45/04/536334504.db2.gz SKPFYTJWFPPQHB-UHFFFAOYSA-N 1 3 315.339 2.444 20 0 DEADHO CN(CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)Cc1ccc(F)cc1 ZINC000192930938 536387206 /nfs/dbraw/zinc/38/72/06/536387206.db2.gz ISWJLFNUWPOQQN-AYHJJNSGSA-N 1 3 305.441 2.472 20 0 DEADHO CN(CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Cc1ccc(F)cc1 ZINC000192930938 536387208 /nfs/dbraw/zinc/38/72/08/536387208.db2.gz ISWJLFNUWPOQQN-AYHJJNSGSA-N 1 3 305.441 2.472 20 0 DEADHO CN(CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C)Cc1ccc(F)cc1 ZINC000192930938 536387212 /nfs/dbraw/zinc/38/72/12/536387212.db2.gz ISWJLFNUWPOQQN-AYHJJNSGSA-N 1 3 305.441 2.472 20 0 DEADHO C[N@@H+]1CCC[C@H]1CCN1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000193500136 536390224 /nfs/dbraw/zinc/39/02/24/536390224.db2.gz YJZLDVMPCHWCEG-XHSDSOJGSA-N 1 3 323.481 2.269 20 0 DEADHO C[N@H+]1CCC[C@H]1CCN1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000193500136 536390225 /nfs/dbraw/zinc/39/02/25/536390225.db2.gz YJZLDVMPCHWCEG-XHSDSOJGSA-N 1 3 323.481 2.269 20 0 DEADHO COC(=O)c1cc(C[NH2+]CC2(CN(C)C)CCCC2)cn1C ZINC000348254641 536885738 /nfs/dbraw/zinc/88/57/38/536885738.db2.gz PFWTXWBBNOUWSE-UHFFFAOYSA-N 1 3 307.438 2.023 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)[C@@H]1CC)N(CC)CC ZINC001368698229 1148590146 /nfs/dbraw/zinc/59/01/46/1148590146.db2.gz DPQLDGVUXGHZEX-BBWFWOEESA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CC2)[C@@H]1CC)N(CC)CC ZINC001368698229 1148590158 /nfs/dbraw/zinc/59/01/58/1148590158.db2.gz DPQLDGVUXGHZEX-BBWFWOEESA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(C)nc1C)N(C)C ZINC001368740681 1148629930 /nfs/dbraw/zinc/62/99/30/1148629930.db2.gz GBPGBJCKRKXSJC-SUMWQHHRSA-N 1 3 320.481 2.023 20 0 DEADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccccc1F)N(C)C ZINC001368745930 1148634092 /nfs/dbraw/zinc/63/40/92/1148634092.db2.gz SOYQEMDDBYJHQN-XJKSGUPXSA-N 1 3 309.429 2.150 20 0 DEADHO C[C@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]CCc1ccccc1 ZINC001379224366 1152592961 /nfs/dbraw/zinc/59/29/61/1152592961.db2.gz RQGXDSCLDWTSHG-DLBZAZTESA-N 1 3 317.477 2.007 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001379327697 1152609213 /nfs/dbraw/zinc/60/92/13/1152609213.db2.gz LAOJMAFAVWEMQK-HNNXBMFYSA-N 1 3 323.456 2.433 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1 ZINC001379326771 1152609352 /nfs/dbraw/zinc/60/93/52/1152609352.db2.gz JBFRPSUNHFRQSC-AEFFLSMTSA-N 1 3 317.477 2.498 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@H]([NH2+]C/C=C/Cl)C(C)(C)C1)N(C)C ZINC001369436052 1148985292 /nfs/dbraw/zinc/98/52/92/1148985292.db2.gz KPSAFLYVRUXDPG-SWICKSTGSA-N 1 3 315.889 2.152 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)CCC[N@@H+](C)CC1CCC1 ZINC001380989451 1152890683 /nfs/dbraw/zinc/89/06/83/1152890683.db2.gz OAWAWXNJAATCOK-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]12 ZINC001026360620 625353786 /nfs/dbraw/zinc/35/37/86/625353786.db2.gz LTYGVBJULRGWOA-BRWVUGGUSA-N 1 3 321.509 2.201 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001023632130 625363776 /nfs/dbraw/zinc/36/37/76/625363776.db2.gz DVGAIHIRANEHSW-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001023632130 625363783 /nfs/dbraw/zinc/36/37/83/625363783.db2.gz DVGAIHIRANEHSW-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(=O)OC[C@H](C)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000892741207 625526631 /nfs/dbraw/zinc/52/66/31/625526631.db2.gz RLRHHQSNOKFOAJ-YJBOKZPZSA-N 1 3 304.434 2.440 20 0 DEADHO CC(=O)OC[C@H](C)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000892741207 625526638 /nfs/dbraw/zinc/52/66/38/625526638.db2.gz RLRHHQSNOKFOAJ-YJBOKZPZSA-N 1 3 304.434 2.440 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@@H](C[NH2+]CC2CCCC2)C1)C1CC1 ZINC001024018772 625545975 /nfs/dbraw/zinc/54/59/75/625545975.db2.gz SKHHGPAHOKMXFR-WMZOPIPTSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCC2)C1 ZINC000969650163 622864011 /nfs/dbraw/zinc/86/40/11/622864011.db2.gz QLSNWOXEMDZQJA-PBHICJAKSA-N 1 3 307.482 2.096 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001020588899 622927024 /nfs/dbraw/zinc/92/70/24/622927024.db2.gz PUWBWHCOGDOWFO-KBAYOESNSA-N 1 3 315.461 2.074 20 0 DEADHO C[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1)c1ccccc1 ZINC001020590002 622929702 /nfs/dbraw/zinc/92/97/02/622929702.db2.gz JTBGAJMCPMZOEY-JOCBIADPSA-N 1 3 315.461 2.326 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC000969844656 622948901 /nfs/dbraw/zinc/94/89/01/622948901.db2.gz NTAPHUNMNZHXJN-IAGOWNOFSA-N 1 3 321.440 2.102 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1)N(C)C ZINC000969985432 623038092 /nfs/dbraw/zinc/03/80/92/623038092.db2.gz IBPARGIVZFBATC-SJORKVTESA-N 1 3 321.509 2.488 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001020980240 623235569 /nfs/dbraw/zinc/23/55/69/623235569.db2.gz AXUQPNWOYADBAN-WKILWMFISA-N 1 3 318.465 2.468 20 0 DEADHO CC1(C)CCN(CC(=O)N2CCC[C@H](C[NH2+]CC3CCC3)C2)C1 ZINC001024156110 625641397 /nfs/dbraw/zinc/64/13/97/625641397.db2.gz IIZFSGHTEGOCJW-QGZVFWFLSA-N 1 3 321.509 2.347 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001024178914 625657693 /nfs/dbraw/zinc/65/76/93/625657693.db2.gz HAVKKHAXAACSPJ-CYBMUJFWSA-N 1 3 318.446 2.042 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC001024178915 625657768 /nfs/dbraw/zinc/65/77/68/625657768.db2.gz HAVKKHAXAACSPJ-ZDUSSCGKSA-N 1 3 318.446 2.042 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CCC2)C1 ZINC001021380329 623578319 /nfs/dbraw/zinc/57/83/19/623578319.db2.gz BDUYHYFXQYUUKA-CCNLRDMRSA-N 1 3 319.493 2.240 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CCC2)C1 ZINC001021380329 623578324 /nfs/dbraw/zinc/57/83/24/623578324.db2.gz BDUYHYFXQYUUKA-CCNLRDMRSA-N 1 3 319.493 2.240 20 0 DEADHO CCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC000970717952 623639967 /nfs/dbraw/zinc/63/99/67/623639967.db2.gz PPABVLZCURSGJG-GOSISDBHSA-N 1 3 315.461 2.035 20 0 DEADHO C[C@@H](NC(=O)c1ccccc1CN(C)C)C1C[NH+](CC2CC2)C1 ZINC000970928375 623797781 /nfs/dbraw/zinc/79/77/81/623797781.db2.gz JVQTYVJOSPAVIT-CQSZACIVSA-N 1 3 315.461 2.208 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCC2CCCC2)C1)N(C)C ZINC000971779864 624546140 /nfs/dbraw/zinc/54/61/40/624546140.db2.gz UZEPRKAVEZCHHV-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCC2CCCC2)C1)N(C)C ZINC000971779864 624546146 /nfs/dbraw/zinc/54/61/46/624546146.db2.gz UZEPRKAVEZCHHV-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000290870649 624591487 /nfs/dbraw/zinc/59/14/87/624591487.db2.gz SLSPIDOLDZELEW-BQFCYCMXSA-N 1 3 317.477 2.353 20 0 DEADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000290870649 624591489 /nfs/dbraw/zinc/59/14/89/624591489.db2.gz SLSPIDOLDZELEW-BQFCYCMXSA-N 1 3 317.477 2.353 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)N(C)[C@H]2CCCN(C)C2)CC1 ZINC000891901922 624654466 /nfs/dbraw/zinc/65/44/66/624654466.db2.gz JEJOBNDSIVFVSL-KRWDZBQOSA-N 1 3 324.513 2.234 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC2CC(C)(C)C2)C1)N(C)C ZINC000972353448 624938337 /nfs/dbraw/zinc/93/83/37/624938337.db2.gz GRTSBCUCURADNQ-HOTGVXAUSA-N 1 3 309.498 2.296 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C1)N(C)C ZINC000972353448 624938340 /nfs/dbraw/zinc/93/83/40/624938340.db2.gz GRTSBCUCURADNQ-HOTGVXAUSA-N 1 3 309.498 2.296 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCc2cccs2)C1)N(C)C ZINC000972354740 624939048 /nfs/dbraw/zinc/93/90/48/624939048.db2.gz OJKVDIWYWLAGJI-HOCLYGCPSA-N 1 3 323.506 2.164 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCc2cccs2)C1)N(C)C ZINC000972354740 624939050 /nfs/dbraw/zinc/93/90/50/624939050.db2.gz OJKVDIWYWLAGJI-HOCLYGCPSA-N 1 3 323.506 2.164 20 0 DEADHO C[N@H+]([C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)[C@H]1CCc2ccccc21 ZINC000972432939 625076375 /nfs/dbraw/zinc/07/63/75/625076375.db2.gz JKQPOHAWBPVUEF-AEFFLSMTSA-N 1 3 324.428 2.172 20 0 DEADHO C[N@@H+]([C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)[C@H]1CCc2ccccc21 ZINC000972432939 625076385 /nfs/dbraw/zinc/07/63/85/625076385.db2.gz JKQPOHAWBPVUEF-AEFFLSMTSA-N 1 3 324.428 2.172 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CC2CC2)C1 ZINC000972484265 625118944 /nfs/dbraw/zinc/11/89/44/625118944.db2.gz AYXVXLAHAYWGQP-IAGOWNOFSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC2CC2)C1 ZINC000972484265 625118949 /nfs/dbraw/zinc/11/89/49/625118949.db2.gz AYXVXLAHAYWGQP-IAGOWNOFSA-N 1 3 307.482 2.192 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](NCc3ccccc3Cl)C2)C1 ZINC001023084226 625151541 /nfs/dbraw/zinc/15/15/41/625151541.db2.gz KTPIVFCGZWDIHE-KFWWJZLASA-N 1 3 321.852 2.029 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](NCc3ccccc3Cl)C2)C1 ZINC001023084226 625151543 /nfs/dbraw/zinc/15/15/43/625151543.db2.gz KTPIVFCGZWDIHE-KFWWJZLASA-N 1 3 321.852 2.029 20 0 DEADHO CC[NH+](CC)Cc1cccc(CNC2CC(S(C)(=O)=O)C2)c1 ZINC000892612198 625193814 /nfs/dbraw/zinc/19/38/14/625193814.db2.gz HBZBBFWUSWIACQ-UHFFFAOYSA-N 1 3 324.490 2.194 20 0 DEADHO CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001026265885 625239202 /nfs/dbraw/zinc/23/92/02/625239202.db2.gz BCUAVCVUCUGTEE-HRCADAONSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)c1ccc(F)cc1 ZINC001019774821 625831359 /nfs/dbraw/zinc/83/13/59/625831359.db2.gz JSTHSTWJRAHVEL-YOEHRIQHSA-N 1 3 319.424 2.173 20 0 DEADHO Cc1cc(C[NH2+]C2CC(N(C)C(=O)Cc3c[nH]cn3)C2)cs1 ZINC000999472587 634603310 /nfs/dbraw/zinc/60/33/10/634603310.db2.gz HXGNSHUTGIALPJ-UHFFFAOYSA-N 1 3 318.446 2.101 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N(C)C1CC([NH2+]CC2CC2)C1 ZINC000999871831 634697020 /nfs/dbraw/zinc/69/70/20/634697020.db2.gz ZVVPYKUWZBTPCL-UHFFFAOYSA-N 1 3 315.461 2.351 20 0 DEADHO CN1CCC[N@H+](CCCNCc2nccc3c2CCCC3)CC1 ZINC000921691535 634764048 /nfs/dbraw/zinc/76/40/48/634764048.db2.gz ZDHONXWPXVNVCI-UHFFFAOYSA-N 1 3 316.493 2.078 20 0 DEADHO CN1CCC[N@@H+](CCCNCc2nccc3c2CCCC3)CC1 ZINC000921691535 634764054 /nfs/dbraw/zinc/76/40/54/634764054.db2.gz ZDHONXWPXVNVCI-UHFFFAOYSA-N 1 3 316.493 2.078 20 0 DEADHO COC(=O)c1cc(CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)n(C)c1C ZINC000925764743 634768438 /nfs/dbraw/zinc/76/84/38/634768438.db2.gz AXOTUDSPGCTALM-OLZOCXBDSA-N 1 3 307.438 2.116 20 0 DEADHO CC1CC(C[NH2+][C@@H]2CN(C(=O)CN(C)C3CCC3)CC2(C)C)C1 ZINC000995919288 633139714 /nfs/dbraw/zinc/13/97/14/633139714.db2.gz PLVWHPUFROVSRD-VMBOVVBDSA-N 1 3 321.509 2.343 20 0 DEADHO CN(C)C1(C(=O)N2C[C@H]([NH2+]CC3CCCC3)C(C)(C)C2)CCC1 ZINC000995889944 633139723 /nfs/dbraw/zinc/13/97/23/633139723.db2.gz XHUITLMDWHSRRE-INIZCTEOSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)=CCN1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974577842 633156596 /nfs/dbraw/zinc/15/65/96/633156596.db2.gz OBGBXIKSBPKDNF-IRXDYDNUSA-N 1 3 319.493 2.121 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]([NH2+]CC2CCCC2)C(C)(C)C1 ZINC000996300272 633232057 /nfs/dbraw/zinc/23/20/57/633232057.db2.gz LCZQZPJRVSEPDR-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+]Cc3ccccc3)C2)CCC1 ZINC001026885066 633241677 /nfs/dbraw/zinc/24/16/77/633241677.db2.gz FMJMUBMIKRAZOS-QGZVFWFLSA-N 1 3 315.461 2.109 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+]CC3=CCCCC3)C2)CCC1 ZINC001026885876 633241945 /nfs/dbraw/zinc/24/19/45/633241945.db2.gz OFDDDDSCMMMHSC-QGZVFWFLSA-N 1 3 319.493 2.409 20 0 DEADHO CN(CC(=O)N1CCC([NH2+]Cc2ccccc2)CC1)C1CCC1 ZINC000996665403 633340871 /nfs/dbraw/zinc/34/08/71/633340871.db2.gz LMNAWTSMDNOKMX-UHFFFAOYSA-N 1 3 315.461 2.252 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001027062820 633384341 /nfs/dbraw/zinc/38/43/41/633384341.db2.gz CFJMIPJJPFKDTB-WMZOPIPTSA-N 1 3 319.493 2.409 20 0 DEADHO CCN1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000975067241 633406321 /nfs/dbraw/zinc/40/63/21/633406321.db2.gz WYCVKRCOERMGQE-KRWDZBQOSA-N 1 3 317.477 2.251 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccccc2C)C1)N(C)C ZINC001027070733 633419908 /nfs/dbraw/zinc/41/99/08/633419908.db2.gz WRLIJAFSZJKIEU-AEFFLSMTSA-N 1 3 317.477 2.273 20 0 DEADHO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1)c1ccccc1 ZINC001027217329 633500378 /nfs/dbraw/zinc/50/03/78/633500378.db2.gz IPCJHSBHLHYGRZ-IAGOWNOFSA-N 1 3 315.461 2.282 20 0 DEADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccccc2)CC1)N(C)C ZINC000997009231 633561441 /nfs/dbraw/zinc/56/14/41/633561441.db2.gz INWAXIDYECGQBL-KRWDZBQOSA-N 1 3 303.450 2.107 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@H]([N@H+](C)CCC2CC2)C1)C1CC1 ZINC001027443290 633793345 /nfs/dbraw/zinc/79/33/45/633793345.db2.gz LAKNOODSDGWLMG-IRXDYDNUSA-N 1 3 307.482 2.050 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CCC2CC2)C1)C1CC1 ZINC001027443290 633793350 /nfs/dbraw/zinc/79/33/50/633793350.db2.gz LAKNOODSDGWLMG-IRXDYDNUSA-N 1 3 307.482 2.050 20 0 DEADHO CC[N@@H+]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000977638630 634087334 /nfs/dbraw/zinc/08/73/34/634087334.db2.gz JSAMUQDDCJFREL-INIZCTEOSA-N 1 3 303.450 2.208 20 0 DEADHO CC[N@H+]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000977638630 634087341 /nfs/dbraw/zinc/08/73/41/634087341.db2.gz JSAMUQDDCJFREL-INIZCTEOSA-N 1 3 303.450 2.208 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[NH2+]CC2CCCC2)CC1 ZINC000998080909 634133163 /nfs/dbraw/zinc/13/31/63/634133163.db2.gz FOUJCEZMUKIPHG-MRXNPFEDSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCC2)C1)N(C)C ZINC001027579003 634191907 /nfs/dbraw/zinc/19/19/07/634191907.db2.gz ZUMZPDRAJVSGSE-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCC2)C1)N(C)C ZINC001027579003 634191935 /nfs/dbraw/zinc/19/19/35/634191935.db2.gz ZUMZPDRAJVSGSE-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO O=C(CN1CCCC1)N1CCC(C[NH2+]CC2=CCCCC2)CC1 ZINC000998270706 634195339 /nfs/dbraw/zinc/19/53/39/634195339.db2.gz YHBRMOMWUQLUKZ-UHFFFAOYSA-N 1 3 319.493 2.411 20 0 DEADHO C[N@H+](CC1CC(C)(C)C1)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027595080 634240039 /nfs/dbraw/zinc/24/00/39/634240039.db2.gz UXCFZBBIYGGVAT-INIZCTEOSA-N 1 3 318.465 2.311 20 0 DEADHO C[N@@H+](CC1CC(C)(C)C1)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027595080 634240044 /nfs/dbraw/zinc/24/00/44/634240044.db2.gz UXCFZBBIYGGVAT-INIZCTEOSA-N 1 3 318.465 2.311 20 0 DEADHO CC(C)=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001027879462 634849447 /nfs/dbraw/zinc/84/94/47/634849447.db2.gz SJQHIAVOZXNWBT-IRXDYDNUSA-N 1 3 307.482 2.406 20 0 DEADHO CC(C)=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001027879462 634849450 /nfs/dbraw/zinc/84/94/50/634849450.db2.gz SJQHIAVOZXNWBT-IRXDYDNUSA-N 1 3 307.482 2.406 20 0 DEADHO CC(C)=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001027879463 634849540 /nfs/dbraw/zinc/84/95/40/634849540.db2.gz SJQHIAVOZXNWBT-SJORKVTESA-N 1 3 307.482 2.406 20 0 DEADHO CC(C)=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001027879463 634849544 /nfs/dbraw/zinc/84/95/44/634849544.db2.gz SJQHIAVOZXNWBT-SJORKVTESA-N 1 3 307.482 2.406 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC(C)C)C[C@H]2C1 ZINC000980233033 634908219 /nfs/dbraw/zinc/90/82/19/634908219.db2.gz RTKMUPPUXKSADG-ARFHVFGLSA-N 1 3 318.465 2.133 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC(C)C)C[C@H]2C1 ZINC000980233033 634908226 /nfs/dbraw/zinc/90/82/26/634908226.db2.gz RTKMUPPUXKSADG-ARFHVFGLSA-N 1 3 318.465 2.133 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCC1 ZINC001027919414 634966373 /nfs/dbraw/zinc/96/63/73/634966373.db2.gz VWKHMCISOQSFCC-IRXDYDNUSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCC1 ZINC001027919414 634966377 /nfs/dbraw/zinc/96/63/77/634966377.db2.gz VWKHMCISOQSFCC-IRXDYDNUSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1ccccc1C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980404582 634989024 /nfs/dbraw/zinc/98/90/24/634989024.db2.gz CFEKGSNFMPRVBJ-SFHVURJKSA-N 1 3 315.461 2.124 20 0 DEADHO Cc1ccccc1C[N@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980404582 634989028 /nfs/dbraw/zinc/98/90/28/634989028.db2.gz CFEKGSNFMPRVBJ-SFHVURJKSA-N 1 3 315.461 2.124 20 0 DEADHO C[C@H]1C[C@H](C[NH2+]Cc2ccsc2)CN1C(=O)Cc1c[nH]cn1 ZINC000980709370 635109147 /nfs/dbraw/zinc/10/91/47/635109147.db2.gz WQOOOSDGBSVETB-GXTWGEPZSA-N 1 3 318.446 2.041 20 0 DEADHO C[C@H]1C[C@@H](C[NH2+]CC2=CCCCC2)CN1C(=O)CN1CCCC1 ZINC000980802569 635159919 /nfs/dbraw/zinc/15/99/19/635159919.db2.gz ZUIXWMSCNCCEBF-WMZOPIPTSA-N 1 3 319.493 2.409 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC2CC2)C1 ZINC001000381152 635166336 /nfs/dbraw/zinc/16/63/36/635166336.db2.gz XWYAYGBMBKYHOU-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H](F)CCN1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000981369090 635456730 /nfs/dbraw/zinc/45/67/30/635456730.db2.gz APDYYJBUSIOGBZ-HOTGVXAUSA-N 1 3 313.461 2.143 20 0 DEADHO C[C@H](F)CCN1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000981369090 635456731 /nfs/dbraw/zinc/45/67/31/635456731.db2.gz APDYYJBUSIOGBZ-HOTGVXAUSA-N 1 3 313.461 2.143 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCF)C2)c1 ZINC000981539107 635522251 /nfs/dbraw/zinc/52/22/51/635522251.db2.gz STBIPIJNEHRFPK-DLBZAZTESA-N 1 3 321.440 2.348 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCF)C2)c1 ZINC000981539110 635522518 /nfs/dbraw/zinc/52/25/18/635522518.db2.gz STBIPIJNEHRFPK-SJORKVTESA-N 1 3 321.440 2.348 20 0 DEADHO CN(Cc1ccccc1)C1(C[NH2+][C@H]2CCC[C@@H]2N)CCOCC1 ZINC000925832804 635822769 /nfs/dbraw/zinc/82/27/69/635822769.db2.gz FDRLLCQJOGWEGY-ROUUACIJSA-N 1 3 317.477 2.137 20 0 DEADHO CC(C)N1CCN(CCC[NH+]2CCC(c3cn[nH]c3)CC2)CC1 ZINC000337338791 635833121 /nfs/dbraw/zinc/83/31/21/635833121.db2.gz QLKBFXNPTMSGTL-UHFFFAOYSA-N 1 3 319.497 2.005 20 0 DEADHO CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)C3CCC3)C[C@@]2(C)C1 ZINC000982297305 635954756 /nfs/dbraw/zinc/95/47/56/635954756.db2.gz FFZAAAYFZPLPPE-KDURUIRLSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)C3CCC3)C[C@@]2(C)C1 ZINC000982297305 635954761 /nfs/dbraw/zinc/95/47/61/635954761.db2.gz FFZAAAYFZPLPPE-KDURUIRLSA-N 1 3 321.509 2.441 20 0 DEADHO CC[NH+](CC)CC1CCN(C[C@H]2[C@H](C(=O)OC)C2(F)F)CC1 ZINC000893940158 636070279 /nfs/dbraw/zinc/07/02/79/636070279.db2.gz JXBMUXNJIUNLCL-UONOGXRCSA-N 1 3 318.408 2.095 20 0 DEADHO CCc1[nH]c(CN(C)CC2CC[NH+](C)CC2)cc1C(=O)OC ZINC000894002917 636088095 /nfs/dbraw/zinc/08/80/95/636088095.db2.gz YJHGESUSYBQZPU-UHFFFAOYSA-N 1 3 307.438 2.137 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CCN1C ZINC000922330137 636091313 /nfs/dbraw/zinc/09/13/13/636091313.db2.gz YNFRCCLSESUXDE-DJIMGWMZSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CCN1C ZINC000922330137 636091315 /nfs/dbraw/zinc/09/13/15/636091315.db2.gz YNFRCCLSESUXDE-DJIMGWMZSA-N 1 3 322.497 2.175 20 0 DEADHO C[N@H+](Cc1ccccc1)C1(CNc2ccncc2CO)CCC1 ZINC000894054249 636100694 /nfs/dbraw/zinc/10/06/94/636100694.db2.gz VYFKYVMAMHGNMQ-UHFFFAOYSA-N 1 3 311.429 2.462 20 0 DEADHO C[N@@H+](Cc1ccccc1)C1(CNc2ccncc2CO)CCC1 ZINC000894054249 636100695 /nfs/dbraw/zinc/10/06/95/636100695.db2.gz VYFKYVMAMHGNMQ-UHFFFAOYSA-N 1 3 311.429 2.462 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CCC[N@@H+]2CC2CC2)c1 ZINC001028334315 636135518 /nfs/dbraw/zinc/13/55/18/636135518.db2.gz VUNXNSOXHJAHRQ-GOSISDBHSA-N 1 3 315.461 2.352 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CCC[N@H+]2CC2CC2)c1 ZINC001028334315 636135520 /nfs/dbraw/zinc/13/55/20/636135520.db2.gz VUNXNSOXHJAHRQ-GOSISDBHSA-N 1 3 315.461 2.352 20 0 DEADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnn(C(C)C)c1)C2 ZINC000922390376 636153030 /nfs/dbraw/zinc/15/30/30/636153030.db2.gz YYMXWMCTSSXGBJ-BRSBDYLESA-N 1 3 320.481 2.033 20 0 DEADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnn(C(C)C)c1)C2 ZINC000922390376 636153033 /nfs/dbraw/zinc/15/30/33/636153033.db2.gz YYMXWMCTSSXGBJ-BRSBDYLESA-N 1 3 320.481 2.033 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001028537190 636329853 /nfs/dbraw/zinc/32/98/53/636329853.db2.gz JBRDMAFBBXPVPX-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001028537190 636329857 /nfs/dbraw/zinc/32/98/57/636329857.db2.gz JBRDMAFBBXPVPX-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]([NH2+]CC1CC1)[C@H]1CCCCN1C(=O)CN1CCC(C)(C)C1 ZINC001004936644 636617292 /nfs/dbraw/zinc/61/72/92/636617292.db2.gz HAXBSKRMWBQBEJ-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO COc1cc(N2CCN(CC3CC[NH+](C)CC3)CC2)ccc1F ZINC000894274680 636657004 /nfs/dbraw/zinc/65/70/04/636657004.db2.gz HQMNVDXMZANPNF-UHFFFAOYSA-N 1 3 321.440 2.298 20 0 DEADHO c1cc(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2c(c1)OCCO2 ZINC000922943853 636873344 /nfs/dbraw/zinc/87/33/44/636873344.db2.gz CAZSPTJCLHTVNN-JKSUJKDBSA-N 1 3 302.418 2.217 20 0 DEADHO c1cc(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c2c(c1)OCCO2 ZINC000922943853 636873346 /nfs/dbraw/zinc/87/33/46/636873346.db2.gz CAZSPTJCLHTVNN-JKSUJKDBSA-N 1 3 302.418 2.217 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1[C@@H](C)CCC1(C)C ZINC000923200707 637029133 /nfs/dbraw/zinc/02/91/33/637029133.db2.gz BTQZAAOBOLAASJ-GJZGRUSLSA-N 1 3 312.502 2.231 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1[C@@H](C)CCC1(C)C ZINC000923200707 637029141 /nfs/dbraw/zinc/02/91/41/637029141.db2.gz BTQZAAOBOLAASJ-GJZGRUSLSA-N 1 3 312.502 2.231 20 0 DEADHO CCCN(C[C@@H](O)COc1ccccc1C)C1CC[NH2+]CC1 ZINC000923329124 637112074 /nfs/dbraw/zinc/11/20/74/637112074.db2.gz ZQXLOBZXJHRGKH-QGZVFWFLSA-N 1 3 306.450 2.199 20 0 DEADHO CCC[N@H+](C[C@@H](O)COc1ccccc1C)C1CCNCC1 ZINC000923329124 637112078 /nfs/dbraw/zinc/11/20/78/637112078.db2.gz ZQXLOBZXJHRGKH-QGZVFWFLSA-N 1 3 306.450 2.199 20 0 DEADHO CCC[N@@H+](C[C@@H](O)COc1ccccc1C)C1CCNCC1 ZINC000923329124 637112080 /nfs/dbraw/zinc/11/20/80/637112080.db2.gz ZQXLOBZXJHRGKH-QGZVFWFLSA-N 1 3 306.450 2.199 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000923333901 637120352 /nfs/dbraw/zinc/12/03/52/637120352.db2.gz ZFVNPFWXCLJKKH-KNIMUDFMSA-N 1 3 318.461 2.111 20 0 DEADHO CCN(C[C@@H](O)COc1ccccc1C)[C@H]1CCC[NH2+]CC1 ZINC000923337266 637122951 /nfs/dbraw/zinc/12/29/51/637122951.db2.gz YDWXSRAZCREHHR-DLBZAZTESA-N 1 3 306.450 2.199 20 0 DEADHO O[C@H](CN1CCC([C@H]2CCC[NH2+]2)CC1)c1ccc(F)c(F)c1 ZINC000923364044 637136905 /nfs/dbraw/zinc/13/69/05/637136905.db2.gz GEUCPIZDMVWJTI-IAGOWNOFSA-N 1 3 310.388 2.462 20 0 DEADHO CCC(CC)C[NH+]1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC001006063952 637140850 /nfs/dbraw/zinc/14/08/50/637140850.db2.gz IGNZKCNEAXHFNK-UHFFFAOYSA-N 1 3 306.454 2.311 20 0 DEADHO Cc1cccc(OC[C@H](O)CN2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000923381083 637148966 /nfs/dbraw/zinc/14/89/66/637148966.db2.gz BHCSVAGEQLXQJQ-LUKYLMHMSA-N 1 3 306.450 2.040 20 0 DEADHO COc1c(C)cnc(CN2CCC3(CO[C@H](C[NH3+])C3)CC2)c1C ZINC000923451949 637189173 /nfs/dbraw/zinc/18/91/73/637189173.db2.gz RDJYEKATNNLRCL-HNNXBMFYSA-N 1 3 319.449 2.037 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C(C)C)C[C@H]2CC1 ZINC000946904357 637196996 /nfs/dbraw/zinc/19/69/96/637196996.db2.gz DFPSFKYIWUZBKG-KSZLIROESA-N 1 3 321.509 2.440 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C(C)C)C[C@H]2CC1 ZINC000946904357 637196998 /nfs/dbraw/zinc/19/69/98/637196998.db2.gz DFPSFKYIWUZBKG-KSZLIROESA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CC[C@H](CC[NH3+])C1 ZINC000923486574 637200301 /nfs/dbraw/zinc/20/03/01/637200301.db2.gz HQHMVKNIISPFCK-KBPBESRZSA-N 1 3 307.413 2.016 20 0 DEADHO C[C@@H](C(=O)N1CCCc2ccccc21)N1CC[C@@H](CC[NH3+])C1 ZINC000923493431 637211671 /nfs/dbraw/zinc/21/16/71/637211671.db2.gz UUPXJPXTTASMBS-LSDHHAIUSA-N 1 3 301.434 2.025 20 0 DEADHO C[C@@H]1CN(CC(=O)N[C@H](c2ccccc2)C2CC2)CC[C@H]1C[NH3+] ZINC000923499237 637216499 /nfs/dbraw/zinc/21/64/99/637216499.db2.gz MCBPTNJLJYNCMF-DKSSEZFCSA-N 1 3 315.461 2.171 20 0 DEADHO C[N@H+](CCCCNCc1cn(Cc2ccccc2)nn1)C1CC1 ZINC000894806443 637218829 /nfs/dbraw/zinc/21/88/29/637218829.db2.gz BQAIHTJAEIAJSY-UHFFFAOYSA-N 1 3 313.449 2.290 20 0 DEADHO C[N@@H+](CCCCNCc1cn(Cc2ccccc2)nn1)C1CC1 ZINC000894806443 637218833 /nfs/dbraw/zinc/21/88/33/637218833.db2.gz BQAIHTJAEIAJSY-UHFFFAOYSA-N 1 3 313.449 2.290 20 0 DEADHO CCc1ccc(NC(=O)[C@H](C)N2CC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923508629 637222861 /nfs/dbraw/zinc/22/28/61/637222861.db2.gz OBIIMBNXHLKYHA-IJEWVQPXSA-N 1 3 303.450 2.493 20 0 DEADHO CC(C)N(Cc1ccccc1)C(=O)CN1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923503505 637224285 /nfs/dbraw/zinc/22/42/85/637224285.db2.gz JKQAHMNSGQSQGT-FUHWJXTLSA-N 1 3 317.477 2.340 20 0 DEADHO CC(C)N(Cc1ccccc1)C(=O)CN1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923503507 637224488 /nfs/dbraw/zinc/22/44/88/637224488.db2.gz JKQAHMNSGQSQGT-WMZOPIPTSA-N 1 3 317.477 2.340 20 0 DEADHO O[C@H](Cc1ccc2ccccc2c1)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516320 637225301 /nfs/dbraw/zinc/22/53/01/637225301.db2.gz YVQKDQBGTLZGRP-XUVXKRRUSA-N 1 3 310.441 2.285 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN2CCN(C)C[C@@H]2CC(C)C)cc1 ZINC000923554692 637243838 /nfs/dbraw/zinc/24/38/38/637243838.db2.gz OLCRZHZNYPWXFL-MSOLQXFVSA-N 1 3 319.493 2.400 20 0 DEADHO CN1CCC(C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)CC1 ZINC000894908438 637324448 /nfs/dbraw/zinc/32/44/48/637324448.db2.gz BRXHHAKUEDXYGH-LJQANCHMSA-N 1 3 314.429 2.438 20 0 DEADHO CN1CCC(C[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)CC1 ZINC000894908438 637324453 /nfs/dbraw/zinc/32/44/53/637324453.db2.gz BRXHHAKUEDXYGH-LJQANCHMSA-N 1 3 314.429 2.438 20 0 DEADHO C[C@@H]1C[C@H](CN2CCOC[C@@H]2C[C@@H](O)c2ccccc2)CC[NH2+]1 ZINC000841009696 650405352 /nfs/dbraw/zinc/40/53/52/650405352.db2.gz GXWCBAWIOZUSII-ZAWLATJESA-N 1 3 318.461 2.199 20 0 DEADHO COCC1CN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000895971206 638290536 /nfs/dbraw/zinc/29/05/36/638290536.db2.gz OGGXLLJZEWSISQ-UHFFFAOYSA-N 1 3 317.477 2.295 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]C[C@]2(C)CCCNC2)C1 ZINC000841057519 650417067 /nfs/dbraw/zinc/41/70/67/650417067.db2.gz OIFTUBZNJHOLOG-UMVBOHGHSA-N 1 3 318.408 2.333 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CCN[C@H](C)C2)C1 ZINC000841060656 650417630 /nfs/dbraw/zinc/41/76/30/650417630.db2.gz AGUJGQIGYFLODJ-MQYQWHSLSA-N 1 3 318.408 2.474 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2)C1 ZINC001029673132 639410569 /nfs/dbraw/zinc/41/05/69/639410569.db2.gz WEGOOHZVDWDZKS-ROUUACIJSA-N 1 3 315.461 2.061 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC001029673132 639410574 /nfs/dbraw/zinc/41/05/74/639410574.db2.gz WEGOOHZVDWDZKS-ROUUACIJSA-N 1 3 315.461 2.061 20 0 DEADHO CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CCOC)C1CCOCC1 ZINC000925195465 639564779 /nfs/dbraw/zinc/56/47/79/639564779.db2.gz ATTWRPQOJPSPID-FBVQUNGASA-N 1 3 310.482 2.423 20 0 DEADHO CN(C)[C@H](CNC(=O)N(C)C1CCC([NH3+])CC1)c1ccccc1 ZINC000841618101 650524169 /nfs/dbraw/zinc/52/41/69/650524169.db2.gz AAGMHEGOJSFTKU-OFLPRAFFSA-N 1 3 318.465 2.201 20 0 DEADHO C[C@@H]1[C@@H]([NH2+]CC2CCC2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986936126 640015907 /nfs/dbraw/zinc/01/59/07/640015907.db2.gz GCTNGNZWXMESNQ-ZBFHGGJFSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@H]2C)c1 ZINC000987059750 640072235 /nfs/dbraw/zinc/07/22/35/640072235.db2.gz SFBUGHFNLRMRGM-WMLDXEAASA-N 1 3 312.417 2.040 20 0 DEADHO COC(=O)C[C@@H](Cc1ccccc1)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000898297054 641091710 /nfs/dbraw/zinc/09/17/10/641091710.db2.gz IQBHYKGFWWQLJW-DJIMGWMZSA-N 1 3 304.434 2.233 20 0 DEADHO COC(=O)C[C@@H](Cc1ccccc1)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000898297054 641091714 /nfs/dbraw/zinc/09/17/14/641091714.db2.gz IQBHYKGFWWQLJW-DJIMGWMZSA-N 1 3 304.434 2.233 20 0 DEADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CCCN(CCCF)CC2)C1 ZINC000989483050 641121169 /nfs/dbraw/zinc/12/11/69/641121169.db2.gz KLEGMAMZPUHPNZ-CVEARBPZSA-N 1 3 313.461 2.001 20 0 DEADHO CCCN1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000989739263 641216448 /nfs/dbraw/zinc/21/64/48/641216448.db2.gz PQNKKVVPHWEVJA-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO COC(=O)Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000322732067 641221673 /nfs/dbraw/zinc/22/16/73/641221673.db2.gz UOXUWJLAZMVYSK-ALOPSCKCSA-N 1 3 302.418 2.117 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2)CN1C(=O)CN1CCCC1 ZINC000989797350 641235895 /nfs/dbraw/zinc/23/58/95/641235895.db2.gz XPBBOBCTKAZWBQ-PBHICJAKSA-N 1 3 319.424 2.001 20 0 DEADHO C[NH+]1CCC(NC(=O)c2ccc(NC3=NCCC3)cc2)CC1 ZINC000900002381 642231972 /nfs/dbraw/zinc/23/19/72/642231972.db2.gz RBEGNIOWJQNPFE-UHFFFAOYSA-N 1 3 300.406 2.115 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)N1CCC(C)CC1 ZINC000900404827 642358798 /nfs/dbraw/zinc/35/87/98/642358798.db2.gz AAQSJYXXFFEIPX-ZACQAIPSSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)N1CCC(C)CC1 ZINC000900404827 642358799 /nfs/dbraw/zinc/35/87/99/642358799.db2.gz AAQSJYXXFFEIPX-ZACQAIPSSA-N 1 3 307.482 2.240 20 0 DEADHO COc1ccc(NC(=O)[C@H]2CCCN2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000842472391 650747360 /nfs/dbraw/zinc/74/73/60/650747360.db2.gz XONMNELXBUMRTI-WMLDXEAASA-N 1 3 317.433 2.098 20 0 DEADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000900708036 642448546 /nfs/dbraw/zinc/44/85/46/642448546.db2.gz GUUBQFKPCCTULS-LSDHHAIUSA-N 1 3 304.438 2.065 20 0 DEADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000900708036 642448551 /nfs/dbraw/zinc/44/85/51/642448551.db2.gz GUUBQFKPCCTULS-LSDHHAIUSA-N 1 3 304.438 2.065 20 0 DEADHO C[N@@H+]1CCC[C@H]2CN(CC3CN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000779478291 642504308 /nfs/dbraw/zinc/50/43/08/642504308.db2.gz OLODLHWHUWCKQP-HOTGVXAUSA-N 1 3 323.481 2.269 20 0 DEADHO C[N@H+]1CCC[C@H]2CN(CC3CN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000779478291 642504311 /nfs/dbraw/zinc/50/43/11/642504311.db2.gz OLODLHWHUWCKQP-HOTGVXAUSA-N 1 3 323.481 2.269 20 0 DEADHO CN1CCC[C@H]2C[N@H+](CC3CN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000779478291 642504314 /nfs/dbraw/zinc/50/43/14/642504314.db2.gz OLODLHWHUWCKQP-HOTGVXAUSA-N 1 3 323.481 2.269 20 0 DEADHO CN1CCC[C@H]2C[N@@H+](CC3CN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000779478291 642504318 /nfs/dbraw/zinc/50/43/18/642504318.db2.gz OLODLHWHUWCKQP-HOTGVXAUSA-N 1 3 323.481 2.269 20 0 DEADHO CC1(C)C[NH2+]CC[C@@H](NCCN2CCc3ccccc3C2)C1 ZINC000902333936 643009198 /nfs/dbraw/zinc/00/91/98/643009198.db2.gz NTOJNRGSAKZFNN-GOSISDBHSA-N 1 3 301.478 2.413 20 0 DEADHO CC(=O)Nc1cccc(OCCN[C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902362347 643019528 /nfs/dbraw/zinc/01/95/28/643019528.db2.gz SWUAQAVKKOWQKF-MRXNPFEDSA-N 1 3 319.449 2.392 20 0 DEADHO COc1ccc2c(c1)C[C@H](C)C[C@@H]2[NH2+]C[C@@H](O)CN1CCCC1 ZINC000902762339 643128437 /nfs/dbraw/zinc/12/84/37/643128437.db2.gz LWQOUBXEBLPUTM-GMBSWORKSA-N 1 3 318.461 2.365 20 0 DEADHO CO[C@H]1CCC[C@H]1NCc1ccncc1OCCC[NH+](C)C ZINC000903170675 643280903 /nfs/dbraw/zinc/28/09/03/643280903.db2.gz AOFTWOICSGSXFO-CVEARBPZSA-N 1 3 307.438 2.069 20 0 DEADHO C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H]1CCC2(CCOCC2)O1 ZINC000903228629 643299147 /nfs/dbraw/zinc/29/91/47/643299147.db2.gz WLLCHQIMNCGRDQ-NXCDMZCRSA-N 1 3 320.477 2.462 20 0 DEADHO C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H]1CCC2(CCOCC2)O1 ZINC000903228629 643299151 /nfs/dbraw/zinc/29/91/51/643299151.db2.gz WLLCHQIMNCGRDQ-NXCDMZCRSA-N 1 3 320.477 2.462 20 0 DEADHO COc1ccc(CN(C)C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903719298 643437750 /nfs/dbraw/zinc/43/77/50/643437750.db2.gz XRUVLFDYFIKDRU-QGZVFWFLSA-N 1 3 304.434 2.286 20 0 DEADHO Cc1cc(C)nc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000903761380 643452259 /nfs/dbraw/zinc/45/22/59/643452259.db2.gz RADYJRRVWPXGFN-ROUUACIJSA-N 1 3 303.450 2.417 20 0 DEADHO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C[C@@H](N)CC(F)F ZINC000903872879 643492951 /nfs/dbraw/zinc/49/29/51/643492951.db2.gz KTEJCIJDYLVZKD-YPMHNXCESA-N 1 3 309.364 2.243 20 0 DEADHO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)C[C@@H](N)CC(F)F ZINC000903872879 643492953 /nfs/dbraw/zinc/49/29/53/643492953.db2.gz KTEJCIJDYLVZKD-YPMHNXCESA-N 1 3 309.364 2.243 20 0 DEADHO Cc1c(C[C@H](C[NH3+])CN2CCS[C@@H]3CCCC[C@@H]32)cnn1C ZINC000903899667 643501109 /nfs/dbraw/zinc/50/11/09/643501109.db2.gz VZRSFWGRCJIXSH-HYVNUMGLSA-N 1 3 322.522 2.206 20 0 DEADHO C[C@@H]1CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1CC(F)(F)F ZINC000903899966 643501470 /nfs/dbraw/zinc/50/14/70/643501470.db2.gz XDLSGJGKSNVNDR-RLAWYHOSSA-N 1 3 305.388 2.085 20 0 DEADHO Cc1c(C[C@H](CN)C[NH2+]CCc2ccc(C)cc2C)cnn1C ZINC000903920841 643507844 /nfs/dbraw/zinc/50/78/44/643507844.db2.gz MIGGSCQOEKPEMB-QGZVFWFLSA-N 1 3 314.477 2.295 20 0 DEADHO C[C@H](NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cn(-c2ccccc2)nn1 ZINC000903922135 643509114 /nfs/dbraw/zinc/50/91/14/643509114.db2.gz VFSGEHWBOXPBDG-HNSVSWJLSA-N 1 3 311.433 2.449 20 0 DEADHO C[C@@H](c1ccncc1)N1CCC([NH2+]C[C@@H](N)CC(F)F)CC1 ZINC000903924263 643510191 /nfs/dbraw/zinc/51/01/91/643510191.db2.gz AUIPAJLRZRCQJS-JSGCOSHPSA-N 1 3 312.408 2.179 20 0 DEADHO O=C1NCCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1CC1CCCCC1 ZINC000903929248 643512238 /nfs/dbraw/zinc/51/22/38/643512238.db2.gz COXDFJBVGTXIIG-HQSKLWIPSA-N 1 3 319.493 2.288 20 0 DEADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1cscc1Cl)C2 ZINC000903978272 643533781 /nfs/dbraw/zinc/53/37/81/643533781.db2.gz CWQZZCZNLRWFMI-WDMOLILDSA-N 1 3 314.838 2.114 20 0 DEADHO COc1cc(C)c(CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)c(C)n1 ZINC000904392556 643652649 /nfs/dbraw/zinc/65/26/49/643652649.db2.gz SSTXDQWONAFSBX-OAHLLOKOSA-N 1 3 319.449 2.037 20 0 DEADHO COC(=O)c1ccc(C[NH2+]C[C@@H]2CNCCC2(F)F)cc1C ZINC000904385791 643657285 /nfs/dbraw/zinc/65/72/85/643657285.db2.gz GCOGIAFOQLEIIR-ZDUSSCGKSA-N 1 3 312.360 2.116 20 0 DEADHO COC(=O)c1ccc2c(c1)OCCN(C[C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC000904475382 643677949 /nfs/dbraw/zinc/67/79/49/643677949.db2.gz OJWAHJSNNYPSAO-KBPBESRZSA-N 1 3 318.417 2.056 20 0 DEADHO O[C@@H](CCC1(O)CCC1)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000905144633 643811143 /nfs/dbraw/zinc/81/11/43/643811143.db2.gz GESPNAILZIRIAD-SFHVURJKSA-N 1 3 324.509 2.429 20 0 DEADHO C[N@H+](C[C@H](O)CN[C@H]1C[C@H](c2ccc(F)cc2F)C1)C1CC1 ZINC000905663199 643988440 /nfs/dbraw/zinc/98/84/40/643988440.db2.gz CHSHJVAJTIFZTN-UXIGCNINSA-N 1 3 310.388 2.256 20 0 DEADHO C[N@@H+](C[C@H](O)CN[C@H]1C[C@H](c2ccc(F)cc2F)C1)C1CC1 ZINC000905663199 643988445 /nfs/dbraw/zinc/98/84/45/643988445.db2.gz CHSHJVAJTIFZTN-UXIGCNINSA-N 1 3 310.388 2.256 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1CN[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000796519381 644748230 /nfs/dbraw/zinc/74/82/30/644748230.db2.gz AQHOXVKRFCTNLD-CABCVRRESA-N 1 3 311.470 2.460 20 0 DEADHO CCC[N@H+]1CCC[C@H]1CN[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000796519381 644748233 /nfs/dbraw/zinc/74/82/33/644748233.db2.gz AQHOXVKRFCTNLD-CABCVRRESA-N 1 3 311.470 2.460 20 0 DEADHO C(CCC[N@@H+]1CCOCC12CC2)CCN1CCOCC12CC2 ZINC000801980750 645471276 /nfs/dbraw/zinc/47/12/76/645471276.db2.gz JFCHFIOGSDUMRF-UHFFFAOYSA-N 1 3 308.466 2.276 20 0 DEADHO C(CCC[N@H+]1CCOCC12CC2)CCN1CCOCC12CC2 ZINC000801980750 645471278 /nfs/dbraw/zinc/47/12/78/645471278.db2.gz JFCHFIOGSDUMRF-UHFFFAOYSA-N 1 3 308.466 2.276 20 0 DEADHO CN(C)C1(C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CCC1 ZINC000843781174 651028747 /nfs/dbraw/zinc/02/87/47/651028747.db2.gz QOECSHXZRLQVEC-UHFFFAOYSA-N 1 3 303.450 2.191 20 0 DEADHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810221325 646341085 /nfs/dbraw/zinc/34/10/85/646341085.db2.gz DOEDQFWSEXPSEL-CJNGLKHVSA-N 1 3 301.450 2.045 20 0 DEADHO CC[NH+]1CCC(N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000813437475 646770730 /nfs/dbraw/zinc/77/07/30/646770730.db2.gz YAJWRBRIKRXRNT-KRWDZBQOSA-N 1 3 313.461 2.142 20 0 DEADHO COC(=O)[C@@H]1CCCC[C@H]1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000929695901 646940200 /nfs/dbraw/zinc/94/02/00/646940200.db2.gz IUKNPTJPEOSLDK-YESZJQIVSA-N 1 3 308.466 2.384 20 0 DEADHO COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)N)cc1Cn1cccn1 ZINC000817978137 647398770 /nfs/dbraw/zinc/39/87/70/647398770.db2.gz WXXPLCNRGRGURY-IHRRRGAJSA-N 1 3 302.422 2.326 20 0 DEADHO CN(C(=O)c1cccc(C[NH3+])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000818608084 647487261 /nfs/dbraw/zinc/48/72/61/647487261.db2.gz LLGPHTLDJQICMK-IBGZPJMESA-N 1 3 323.440 2.492 20 0 DEADHO C[C@@H]1C[C@@H](NCCC(=O)Nc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000819105595 647584440 /nfs/dbraw/zinc/58/44/40/647584440.db2.gz MYYZHDSVLMBLDI-ZBFHGGJFSA-N 1 3 318.465 2.154 20 0 DEADHO C[C@@H]1C[C@@H](NCCC(=O)Nc2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000819105595 647584445 /nfs/dbraw/zinc/58/44/45/647584445.db2.gz MYYZHDSVLMBLDI-ZBFHGGJFSA-N 1 3 318.465 2.154 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)CC1(C)C ZINC000820080759 647780260 /nfs/dbraw/zinc/78/02/60/647780260.db2.gz KDHDVLBBSBVJMW-CABCVRRESA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)CC1(C)C ZINC000820080759 647780265 /nfs/dbraw/zinc/78/02/65/647780265.db2.gz KDHDVLBBSBVJMW-CABCVRRESA-N 1 3 312.502 2.088 20 0 DEADHO CC[NH+]1CCC(CC[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821242433 648016279 /nfs/dbraw/zinc/01/62/79/648016279.db2.gz SWCPKSATJJPXNO-UHFFFAOYSA-N 1 3 314.437 2.078 20 0 DEADHO CC[NH+]1CCC(CC[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821242433 648016285 /nfs/dbraw/zinc/01/62/85/648016285.db2.gz SWCPKSATJJPXNO-UHFFFAOYSA-N 1 3 314.437 2.078 20 0 DEADHO C[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCC2)C1)N1CCCCCC1 ZINC001015796282 648209284 /nfs/dbraw/zinc/20/92/84/648209284.db2.gz WSFNQGJKHCDOGV-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CCC2)C1)N1CCCCCC1 ZINC001015796282 648209286 /nfs/dbraw/zinc/20/92/86/648209286.db2.gz WSFNQGJKHCDOGV-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)C(C)(C)C1 ZINC000941074375 648993958 /nfs/dbraw/zinc/99/39/58/648993958.db2.gz CKSHMTJIQBPWBQ-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)C(C)(C)C1 ZINC000941074375 648993961 /nfs/dbraw/zinc/99/39/61/648993961.db2.gz CKSHMTJIQBPWBQ-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CC[S@](C)=O)CC1 ZINC000828058674 649127374 /nfs/dbraw/zinc/12/73/74/649127374.db2.gz DEAACNQCNIKEDQ-YWZLYKJASA-N 1 3 300.512 2.341 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCC1CCN(CC[S@](C)=O)CC1 ZINC000828058674 649127376 /nfs/dbraw/zinc/12/73/76/649127376.db2.gz DEAACNQCNIKEDQ-YWZLYKJASA-N 1 3 300.512 2.341 20 0 DEADHO CC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000995237886 649212438 /nfs/dbraw/zinc/21/24/38/649212438.db2.gz WANOWSUWLVTWEH-PBHICJAKSA-N 1 3 303.450 2.256 20 0 DEADHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(N2CCNC2=O)cc1 ZINC000829747216 649349966 /nfs/dbraw/zinc/34/99/66/649349966.db2.gz VUBGDAOTIGUEFQ-GDBMZVCRSA-N 1 3 316.449 2.351 20 0 DEADHO CN1CC[C@@H](NC(=O)NCCCCCC[NH3+])[C@@H]1c1ccccc1 ZINC000831143363 649544004 /nfs/dbraw/zinc/54/40/04/649544004.db2.gz PSLGBVNXEQBUSB-SJORKVTESA-N 1 3 318.465 2.250 20 0 DEADHO CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@@H](C)C1 ZINC000945090272 649609416 /nfs/dbraw/zinc/60/94/16/649609416.db2.gz KIIOHVQCJHMEFZ-YOEHRIQHSA-N 1 3 303.450 2.208 20 0 DEADHO CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@@H](C)C1 ZINC000945090272 649609420 /nfs/dbraw/zinc/60/94/20/649609420.db2.gz KIIOHVQCJHMEFZ-YOEHRIQHSA-N 1 3 303.450 2.208 20 0 DEADHO CN(C)Cc1ccc(C(=O)Nc2cccc(OCC[NH3+])c2)cc1 ZINC000832607222 649728407 /nfs/dbraw/zinc/72/84/07/649728407.db2.gz USMKABBKKRCQPR-UHFFFAOYSA-N 1 3 313.401 2.338 20 0 DEADHO CC[C@@H]1CN(C(=O)C[C@H](N)c2cc(C)nc(Cl)c2)CC[C@@H]1[NH3+] ZINC000834647396 649825767 /nfs/dbraw/zinc/82/57/67/649825767.db2.gz OEXDIPCHUNREIB-XBFCOCLRSA-N 1 3 324.856 2.019 20 0 DEADHO CCC(CC)Nc1ccncc1NC(=O)C1CC[NH+](C)CC1 ZINC000848108628 651438233 /nfs/dbraw/zinc/43/82/33/651438233.db2.gz RMPCUANLOPHVLV-UHFFFAOYSA-N 1 3 304.438 2.384 20 0 DEADHO CC(C)c1ccccc1C[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000848534762 651468585 /nfs/dbraw/zinc/46/85/85/651468585.db2.gz UVYSBJLHDINPEF-KRWDZBQOSA-N 1 3 317.477 2.487 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000848718721 651496914 /nfs/dbraw/zinc/49/69/14/651496914.db2.gz QFKKWNOPCVWFMG-BZPMIXESSA-N 1 3 318.339 2.478 20 0 DEADHO C[C@H]1CCN(CCNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000849004874 651578902 /nfs/dbraw/zinc/57/89/02/651578902.db2.gz FYJSDCAWDWQPGL-ZDUSSCGKSA-N 1 3 318.421 2.126 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCc2ccccc2C1 ZINC000849009308 651580771 /nfs/dbraw/zinc/58/07/71/651580771.db2.gz UGFWCALBQAQCLK-YJBOKZPZSA-N 1 3 314.477 2.390 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCc1ccccc1F ZINC000849024954 651587129 /nfs/dbraw/zinc/58/71/29/651587129.db2.gz HAKKWRXUROMNGB-HNNXBMFYSA-N 1 3 306.429 2.357 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(CF)cc1 ZINC000855344973 651678928 /nfs/dbraw/zinc/67/89/28/651678928.db2.gz KHMAQOYMASXGIB-AWEZNQCLSA-N 1 3 309.429 2.158 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(CF)cc1 ZINC000855344973 651678930 /nfs/dbraw/zinc/67/89/30/651678930.db2.gz KHMAQOYMASXGIB-AWEZNQCLSA-N 1 3 309.429 2.158 20 0 DEADHO Cc1ccc([C@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)o1 ZINC000855346350 651679832 /nfs/dbraw/zinc/67/98/32/651679832.db2.gz YBITUPWVCGNZDZ-ZFWWWQNUSA-N 1 3 309.454 2.080 20 0 DEADHO Cc1ccc([C@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)o1 ZINC000855346350 651679834 /nfs/dbraw/zinc/67/98/34/651679834.db2.gz YBITUPWVCGNZDZ-ZFWWWQNUSA-N 1 3 309.454 2.080 20 0 DEADHO CON(C)CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000850479378 651936460 /nfs/dbraw/zinc/93/64/60/651936460.db2.gz RGBFPFXQHWSGMP-IPMKNSEASA-N 1 3 317.477 2.370 20 0 DEADHO CON(C)CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000850479378 651936461 /nfs/dbraw/zinc/93/64/61/651936461.db2.gz RGBFPFXQHWSGMP-IPMKNSEASA-N 1 3 317.477 2.370 20 0 DEADHO COCC[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856597169 651955644 /nfs/dbraw/zinc/95/56/44/651955644.db2.gz FMMFCEHNIBAVNV-QGZVFWFLSA-N 1 3 307.438 2.021 20 0 DEADHO COCC[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856597169 651955649 /nfs/dbraw/zinc/95/56/49/651955649.db2.gz FMMFCEHNIBAVNV-QGZVFWFLSA-N 1 3 307.438 2.021 20 0 DEADHO Cn1nccc1[C@@H](O)C1CC[NH+](CC[C@@H]2CCCCN2C)CC1 ZINC000856799965 651987623 /nfs/dbraw/zinc/98/76/23/651987623.db2.gz AHPAFHPZOBLYRN-WMZOPIPTSA-N 1 3 320.481 2.040 20 0 DEADHO CC(C)[C@H]([NH2+]C[C@@H](O)CN(C)C(C)C)[C@H](O)c1ccccc1 ZINC000852036181 652320530 /nfs/dbraw/zinc/32/05/30/652320530.db2.gz SYFBAQWZPIAOPT-FGTMMUONSA-N 1 3 308.466 2.035 20 0 DEADHO C[NH+](C)CCOc1ccc(CCNc2ccnc(CO)c2)cc1 ZINC000858393165 652326383 /nfs/dbraw/zinc/32/63/83/652326383.db2.gz PGVZMHMDLFAPQD-UHFFFAOYSA-N 1 3 315.417 2.169 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2CCN2C(C)(C)C)C1 ZINC000852223163 652366889 /nfs/dbraw/zinc/36/68/89/652366889.db2.gz IBZFQOMGOCWFAZ-KFWWJZLASA-N 1 3 310.486 2.031 20 0 DEADHO CC1(C)CN(C[C@H](O)C[NH+]2CCCC2)CCc2ccccc21 ZINC000852348541 652389151 /nfs/dbraw/zinc/38/91/51/652389151.db2.gz MFUXMZZQUOYFEL-QGZVFWFLSA-N 1 3 302.462 2.279 20 0 DEADHO C([NH2+]C1CCC2(CC1)OCCO2)[C@@H]1CCCN(CC2CC2)C1 ZINC000853240688 652528482 /nfs/dbraw/zinc/52/84/82/652528482.db2.gz RDDKIKNLIHERDS-INIZCTEOSA-N 1 3 308.466 2.384 20 0 DEADHO CCN(C(=O)NCCCCCCC[NH+](C)C)[C@@H]1CCN(C)C1 ZINC000853486649 652553672 /nfs/dbraw/zinc/55/36/72/652553672.db2.gz GOHHLEXPXUFESK-MRXNPFEDSA-N 1 3 312.502 2.234 20 0 DEADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000854229781 652661860 /nfs/dbraw/zinc/66/18/60/652661860.db2.gz XFDZUVABMLAGLM-BVUBDWEXSA-N 1 3 310.388 2.349 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](C)C[C@H]1CCCC(F)(F)C1)N(C)C ZINC001390848751 1155890560 /nfs/dbraw/zinc/89/05/60/1155890560.db2.gz XLLPAHSPJUNHLY-KBPBESRZSA-N 1 3 319.440 2.200 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](C)C[C@H]1CCCC(F)(F)C1)N(C)C ZINC001390848751 1155890561 /nfs/dbraw/zinc/89/05/61/1155890561.db2.gz XLLPAHSPJUNHLY-KBPBESRZSA-N 1 3 319.440 2.200 20 0 DEADHO CCC[N@H+](CCNC(=O)[C@H]1CCCCN1CC)CC1CCC1 ZINC001391144456 1156173126 /nfs/dbraw/zinc/17/31/26/1156173126.db2.gz LLNRPSRHHXNZSC-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CCC[N@@H+](CCNC(=O)[C@H]1CCCCN1CC)CC1CCC1 ZINC001391144456 1156173131 /nfs/dbraw/zinc/17/31/31/1156173131.db2.gz LLNRPSRHHXNZSC-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CC[C@@H](C(=O)N1CCC([C@H](C)[NH2+]C/C=C\Cl)CC1)N(C)C ZINC001372993468 1156834406 /nfs/dbraw/zinc/83/44/06/1156834406.db2.gz JAYPWDSFGFPKSK-WQAPRBAYSA-N 1 3 315.889 2.296 20 0 DEADHO CC[C@H](C(=O)N[C@@](C)(C[NH2+]CC1CCCC1)C1CC1)N(C)C ZINC001373885415 1157433327 /nfs/dbraw/zinc/43/33/27/1157433327.db2.gz ZEVSQMHBXSWAHL-AEFFLSMTSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)N1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000387461799 685422727 /nfs/dbraw/zinc/42/27/27/685422727.db2.gz XAROKSGDRCZTQT-INIZCTEOSA-N 1 3 307.394 2.091 20 0 DEADHO CCOC(=O)NC1CCC([NH2+]C[C@@H]2CCCCN(C)C2)CC1 ZINC000858492306 685550482 /nfs/dbraw/zinc/55/04/82/685550482.db2.gz VRIFJJIXGBIDGM-FHERZECASA-N 1 3 311.470 2.365 20 0 DEADHO C[C@@H]1[C@H](NC(=O)c2ccc(Nc3ccncc3)cc2)CC[N@@H+]1C ZINC000928441170 693779322 /nfs/dbraw/zinc/77/93/22/693779322.db2.gz DBXOUYWCCCQBMN-CXAGYDPISA-N 1 3 310.401 2.070 20 0 DEADHO C[C@@H]1[C@H](NC(=O)c2ccc(Nc3ccncc3)cc2)CC[N@H+]1C ZINC000928441170 693779324 /nfs/dbraw/zinc/77/93/24/693779324.db2.gz DBXOUYWCCCQBMN-CXAGYDPISA-N 1 3 310.401 2.070 20 0 DEADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCC[S@](C)=O)CC2)C1 ZINC000126869944 684157954 /nfs/dbraw/zinc/15/79/54/684157954.db2.gz DILHZNNUNQAFKO-PTSWNOGYSA-N 1 3 300.512 2.388 20 0 DEADHO CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054145059 693861732 /nfs/dbraw/zinc/86/17/32/693861732.db2.gz JIYOTBYJMSCZPL-QGZVFWFLSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054145059 693861737 /nfs/dbraw/zinc/86/17/37/693861737.db2.gz JIYOTBYJMSCZPL-QGZVFWFLSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001054145597 693862078 /nfs/dbraw/zinc/86/20/78/693862078.db2.gz SUURDPAQIJYATM-SJLPKXTDSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001054145597 693862080 /nfs/dbraw/zinc/86/20/80/693862080.db2.gz SUURDPAQIJYATM-SJLPKXTDSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001054192276 693876083 /nfs/dbraw/zinc/87/60/83/693876083.db2.gz SZVVJVSTTFKWGU-SJLPKXTDSA-N 1 3 309.498 2.297 20 0 DEADHO CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001054192276 693876088 /nfs/dbraw/zinc/87/60/88/693876088.db2.gz SZVVJVSTTFKWGU-SJLPKXTDSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@]3(CC[N@H+](CC4CC4)C3)C2)C1 ZINC001054197933 693878435 /nfs/dbraw/zinc/87/84/35/693878435.db2.gz LYEJTLDVIODRKG-APWZRJJASA-N 1 3 319.493 2.053 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@]3(CC[N@@H+](CC4CC4)C3)C2)C1 ZINC001054197933 693878439 /nfs/dbraw/zinc/87/84/39/693878439.db2.gz LYEJTLDVIODRKG-APWZRJJASA-N 1 3 319.493 2.053 20 0 DEADHO CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001054198497 693879084 /nfs/dbraw/zinc/87/90/84/693879084.db2.gz YHQPYJVGSREETJ-WMZOPIPTSA-N 1 3 307.482 2.053 20 0 DEADHO CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001054198497 693879088 /nfs/dbraw/zinc/87/90/88/693879088.db2.gz YHQPYJVGSREETJ-WMZOPIPTSA-N 1 3 307.482 2.053 20 0 DEADHO CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001054197457 693879839 /nfs/dbraw/zinc/87/98/39/693879839.db2.gz BWJNUYAQZUONET-WMZOPIPTSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001054197457 693879843 /nfs/dbraw/zinc/87/98/43/693879843.db2.gz BWJNUYAQZUONET-WMZOPIPTSA-N 1 3 307.482 2.195 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](CC3CC3)C2)C1)N(C)C ZINC001054199275 693879961 /nfs/dbraw/zinc/87/99/61/693879961.db2.gz RPTUIUZTBDXCMF-WMZOPIPTSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CC3CC3)C2)C1)N(C)C ZINC001054199275 693879964 /nfs/dbraw/zinc/87/99/64/693879964.db2.gz RPTUIUZTBDXCMF-WMZOPIPTSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CN(CCN(C)Cc2ccc(C[NH+](C)C)cc2)C[C@H](C)O1 ZINC000859211885 685681353 /nfs/dbraw/zinc/68/13/53/685681353.db2.gz BZEOBENDHGNAQP-CALCHBBNSA-N 1 3 319.493 2.289 20 0 DEADHO CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2ccc(CN)nc2C)C1 ZINC000863543849 686518592 /nfs/dbraw/zinc/51/85/92/686518592.db2.gz DLJWPUCHUJJMHZ-FZMZJTMJSA-N 1 3 303.406 2.151 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC1CCCCC1 ZINC001054736664 694035771 /nfs/dbraw/zinc/03/57/71/694035771.db2.gz LDAFYTJPEAQTRZ-CRAIPNDOSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)C1(CNC(=[NH2+])Nc2ccc(CCO)cc2)CCCC1 ZINC000864452812 686725450 /nfs/dbraw/zinc/72/54/50/686725450.db2.gz SYRXTDBATMPFSJ-UHFFFAOYSA-N 1 3 304.438 2.032 20 0 DEADHO C[C@@H]1C[C@@H]1NC(=[NH2+])NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000864464467 686730422 /nfs/dbraw/zinc/73/04/22/686730422.db2.gz CZKVSZDHKGFKMV-QWCHVHKLSA-N 1 3 318.387 2.314 20 0 DEADHO CC[C@@H](F)C[NH+]1CCC([C@H](C)NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001394844851 1158810361 /nfs/dbraw/zinc/81/03/61/1158810361.db2.gz JPOMWUKUJXBHGX-NUEKZKHPSA-N 1 3 315.477 2.291 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CC[N@H+](CCC2CC2)C1)N1CCCCCC1 ZINC001015795310 687424964 /nfs/dbraw/zinc/42/49/64/687424964.db2.gz OOHMDICGSHXNOD-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+](CCC2CC2)C1)N1CCCCCC1 ZINC001015795310 687424967 /nfs/dbraw/zinc/42/49/67/687424967.db2.gz OOHMDICGSHXNOD-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)C[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001016761594 687697854 /nfs/dbraw/zinc/69/78/54/687697854.db2.gz NVJUXWOYVOORAO-MRXNPFEDSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC12CC[NH+](CCC(C)C)CC2 ZINC001016949189 687741541 /nfs/dbraw/zinc/74/15/41/687741541.db2.gz CDKUGDYSIBWLDK-INIZCTEOSA-N 1 3 318.465 2.277 20 0 DEADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000867998825 687868506 /nfs/dbraw/zinc/86/85/06/687868506.db2.gz JCNOBANOLZKXQM-NJAFHUGGSA-N 1 3 315.461 2.155 20 0 DEADHO CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001017657442 687933998 /nfs/dbraw/zinc/93/39/98/687933998.db2.gz RLINGXLKTRNARY-CALCHBBNSA-N 1 3 319.493 2.338 20 0 DEADHO CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001018176721 688071529 /nfs/dbraw/zinc/07/15/29/688071529.db2.gz OGLKNRSXZJAOSJ-TVFCKZIOSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H](NCc2ccccc2F)C1)[NH+](C)C ZINC001019000593 688267498 /nfs/dbraw/zinc/26/74/98/688267498.db2.gz DNVRKLKSKFGIJR-RDJZCZTQSA-N 1 3 321.440 2.102 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2c(C)cccc2C)C1)N(C)C ZINC001019033132 688273395 /nfs/dbraw/zinc/27/33/95/688273395.db2.gz ANBPLUSLHZBEEB-FUHWJXTLSA-N 1 3 317.477 2.334 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2C)C1)N(C)C ZINC001019032306 688273618 /nfs/dbraw/zinc/27/36/18/688273618.db2.gz PFCHWEJOBDILFS-ZWKOTPCHSA-N 1 3 317.477 2.334 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1)N(C)C ZINC001019033303 688273643 /nfs/dbraw/zinc/27/36/43/688273643.db2.gz IBPARGIVZFBATC-DLBZAZTESA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000870872910 688673549 /nfs/dbraw/zinc/67/35/49/688673549.db2.gz QEQUDCZHMPGBKM-VDHUWJSZSA-N 1 3 315.461 2.456 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)CC[NH2+]CC2CC2)N(C)C)cc1 ZINC000870874839 688674817 /nfs/dbraw/zinc/67/48/17/688674817.db2.gz NPUGQSGMWRZBOQ-QGZVFWFLSA-N 1 3 303.450 2.104 20 0 DEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870908342 688683482 /nfs/dbraw/zinc/68/34/82/688683482.db2.gz GZOMFVVUQQKGQT-JCNLHEQBSA-N 1 3 321.440 2.233 20 0 DEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870908027 688683517 /nfs/dbraw/zinc/68/35/17/688683517.db2.gz DCCFKQXRIUHIAF-JCNLHEQBSA-N 1 3 321.440 2.233 20 0 DEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)CC[NH2+]CC1CC1 ZINC000870908432 688683693 /nfs/dbraw/zinc/68/36/93/688683693.db2.gz KDXOSFWXJPCBHF-UHFFFAOYSA-N 1 3 321.440 2.106 20 0 DEADHO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C[C@H](N)c2ccccc2)C1 ZINC000870992143 688706100 /nfs/dbraw/zinc/70/61/00/688706100.db2.gz IXHFEWHWANLACO-MAUKXSAKSA-N 1 3 303.450 2.300 20 0 DEADHO CN(C)[C@@H](CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000872274637 688971384 /nfs/dbraw/zinc/97/13/84/688971384.db2.gz CJZJYCGJNGNFDB-KURKYZTESA-N 1 3 317.477 2.183 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC1C[NH+](CC2=CCCCC2)C1 ZINC001032206308 689082815 /nfs/dbraw/zinc/08/28/15/689082815.db2.gz XHIZWIRAOJPLFM-GOSISDBHSA-N 1 3 319.493 2.409 20 0 DEADHO COCCC1([NH2+]C[C@H]2CCOc3ccccc32)CCNCC1 ZINC000873225194 689187885 /nfs/dbraw/zinc/18/78/85/689187885.db2.gz TWCGFLANKMYINV-OAHLLOKOSA-N 1 3 304.434 2.301 20 0 DEADHO NCc1cn(-c2cccc(C[NH2+][C@H](C3CC3)C3CCC3)c2)nn1 ZINC000873243978 689192650 /nfs/dbraw/zinc/19/26/50/689192650.db2.gz OCPXFWJVGXOZCR-SFHVURJKSA-N 1 3 311.433 2.394 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1C[C@H](C(=O)OCc2ccccc2)C1 ZINC000873274522 689200177 /nfs/dbraw/zinc/20/01/77/689200177.db2.gz VUYQGMQGYLAEPR-DDBAPUKQSA-N 1 3 316.445 2.486 20 0 DEADHO C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CC1)[NH+]1CCCCCC1 ZINC001032665033 689218160 /nfs/dbraw/zinc/21/81/60/689218160.db2.gz WPQYFLHAOZSKSP-NJAFHUGGSA-N 1 3 319.493 2.336 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CN(C)C ZINC001032800647 689264948 /nfs/dbraw/zinc/26/49/48/689264948.db2.gz RODGJHMWVUNAFS-IRXDYDNUSA-N 1 3 315.461 2.303 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CN(C)C ZINC001032800647 689264951 /nfs/dbraw/zinc/26/49/51/689264951.db2.gz RODGJHMWVUNAFS-IRXDYDNUSA-N 1 3 315.461 2.303 20 0 DEADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C[NH+](C)C ZINC001032800647 689264959 /nfs/dbraw/zinc/26/49/59/689264959.db2.gz RODGJHMWVUNAFS-IRXDYDNUSA-N 1 3 315.461 2.303 20 0 DEADHO C[C@H](F)CC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)N2CCCC2)C1 ZINC001033319375 689460882 /nfs/dbraw/zinc/46/08/82/689460882.db2.gz PSJGRFCYVXEUCL-GJZGRUSLSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@H](F)CC[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)N2CCCC2)C1 ZINC001033319375 689460885 /nfs/dbraw/zinc/46/08/85/689460885.db2.gz PSJGRFCYVXEUCL-GJZGRUSLSA-N 1 3 313.461 2.142 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001034329286 689811517 /nfs/dbraw/zinc/81/15/17/689811517.db2.gz GJSGOONOEAPZNY-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001034329286 689811520 /nfs/dbraw/zinc/81/15/20/689811520.db2.gz GJSGOONOEAPZNY-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO Cn1ncc2cc(CN3CCC(CC[NH+](C)C)CC3)cnc21 ZINC000876631672 689882205 /nfs/dbraw/zinc/88/22/05/689882205.db2.gz MCGKMUJRXQTGKO-UHFFFAOYSA-N 1 3 301.438 2.132 20 0 DEADHO CC1CCC(N2CCN(C(=O)/C=C/[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000876763763 689929682 /nfs/dbraw/zinc/92/96/82/689929682.db2.gz JAMJPVAEGBXDLW-UJLBXHCPSA-N 1 3 319.493 2.265 20 0 DEADHO CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCN2C(C)C)cc1 ZINC001034816482 689953514 /nfs/dbraw/zinc/95/35/14/689953514.db2.gz PNOCGXKIUPOBAW-KRWDZBQOSA-N 1 3 303.450 2.285 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001034884678 689977575 /nfs/dbraw/zinc/97/75/75/689977575.db2.gz LBFTUSSSBLMSSC-SJORKVTESA-N 1 3 319.493 2.242 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001034885614 689978312 /nfs/dbraw/zinc/97/83/12/689978312.db2.gz WPYDALLGHZOTKR-SJORKVTESA-N 1 3 307.482 2.242 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000877031028 690001667 /nfs/dbraw/zinc/00/16/67/690001667.db2.gz PKGKHILLFOOBIA-OIISXLGYSA-N 1 3 313.445 2.127 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001035052331 690021624 /nfs/dbraw/zinc/02/16/24/690021624.db2.gz WNJBHCVMGGHOSY-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC1 ZINC001035134113 690035320 /nfs/dbraw/zinc/03/53/20/690035320.db2.gz UDWNYGWQUKUZMW-IAGOWNOFSA-N 1 3 307.482 2.242 20 0 DEADHO [NH3+]CC12CCC(CC1)N2C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000877188755 690040986 /nfs/dbraw/zinc/04/09/86/690040986.db2.gz ICGKFZDAVXXPBG-HFCFLWKCSA-N 1 3 313.445 2.133 20 0 DEADHO CC(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001035166594 690045677 /nfs/dbraw/zinc/04/56/77/690045677.db2.gz DTAKJKNSSOUUNG-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001035166594 690045679 /nfs/dbraw/zinc/04/56/79/690045679.db2.gz DTAKJKNSSOUUNG-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001035166818 690047024 /nfs/dbraw/zinc/04/70/24/690047024.db2.gz UNXGQFJNJKYGNZ-KRWDZBQOSA-N 1 3 319.493 2.361 20 0 DEADHO CC(C)=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001035166818 690047027 /nfs/dbraw/zinc/04/70/27/690047027.db2.gz UNXGQFJNJKYGNZ-KRWDZBQOSA-N 1 3 319.493 2.361 20 0 DEADHO CC(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)N(C)C)CC2 ZINC001035194102 690056255 /nfs/dbraw/zinc/05/62/55/690056255.db2.gz UUDGDLFEUNBKJH-KRWDZBQOSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)N(C)C)CC2 ZINC001035194102 690056259 /nfs/dbraw/zinc/05/62/59/690056259.db2.gz UUDGDLFEUNBKJH-KRWDZBQOSA-N 1 3 321.509 2.297 20 0 DEADHO CCC[N@@H+]1CCC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001035194231 690056620 /nfs/dbraw/zinc/05/66/20/690056620.db2.gz WSSJNSGEAUDYFM-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[N@H+]1CCC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001035194231 690056624 /nfs/dbraw/zinc/05/66/24/690056624.db2.gz WSSJNSGEAUDYFM-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877339983 690079495 /nfs/dbraw/zinc/07/94/95/690079495.db2.gz IKJYHDLAXBPPRN-MJGOQNOKSA-N 1 3 321.424 2.052 20 0 DEADHO O=C(C[C@@H]1[NH2+]Cc2ccccc21)NC[C@H]1Cc2ccccc2CN1 ZINC000877339983 690079500 /nfs/dbraw/zinc/07/95/00/690079500.db2.gz IKJYHDLAXBPPRN-MJGOQNOKSA-N 1 3 321.424 2.052 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877339978 690079951 /nfs/dbraw/zinc/07/99/51/690079951.db2.gz IKJYHDLAXBPPRN-HKUYNNGSSA-N 1 3 321.424 2.052 20 0 DEADHO O=C(C[C@@H]1[NH2+]Cc2ccccc21)NC[C@@H]1Cc2ccccc2CN1 ZINC000877339978 690079954 /nfs/dbraw/zinc/07/99/54/690079954.db2.gz IKJYHDLAXBPPRN-HKUYNNGSSA-N 1 3 321.424 2.052 20 0 DEADHO CC[C@@H](C(=O)N1CCC2(C[NH+](CCC3CC3)C2)CC1)N(C)C ZINC001035796525 690178899 /nfs/dbraw/zinc/17/88/99/690178899.db2.gz IDQMGNRJPZNGHC-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[NH+]1CC2(C1)CCN(C(=O)CN1CCC(C)CC1)CC2 ZINC001035820760 690185079 /nfs/dbraw/zinc/18/50/79/690185079.db2.gz LARAWXMGPNUJJS-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO COC(=O)c1cc(CN2CCC3(CC2)CC[NH+](C)CC3)c[nH]1 ZINC000877684808 690190873 /nfs/dbraw/zinc/19/08/73/690190873.db2.gz ZHJMCIOQDKUBRF-UHFFFAOYSA-N 1 3 305.422 2.109 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(C[NH+](C(C)C)C2)CC1 ZINC001035858615 690194744 /nfs/dbraw/zinc/19/47/44/690194744.db2.gz WTGWVNPVTAHWJD-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO FC(F)(F)OCCCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000878154978 690328133 /nfs/dbraw/zinc/32/81/33/690328133.db2.gz JUNQPRPHPBXFQK-UHFFFAOYSA-N 1 3 324.387 2.490 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)CCc2ccc(C(N)=O)cc2)C[C@H]1C ZINC000878163533 690330800 /nfs/dbraw/zinc/33/08/00/690330800.db2.gz SSMSJDOCWVPGCT-PBHICJAKSA-N 1 3 303.450 2.133 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)CCc2ccc(C(N)=O)cc2)C[C@H]1C ZINC000878163533 690330802 /nfs/dbraw/zinc/33/08/02/690330802.db2.gz SSMSJDOCWVPGCT-PBHICJAKSA-N 1 3 303.450 2.133 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H]3CCC4(CCOCC4)CO3)CC[C@@H]21 ZINC000878197596 690344084 /nfs/dbraw/zinc/34/40/84/690344084.db2.gz PHWQSNKAYBKENY-SQNIBIBYSA-N 1 3 322.493 2.378 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C[C@@H]3CCC4(CCOCC4)CO3)CC[C@@H]21 ZINC000878197596 690344087 /nfs/dbraw/zinc/34/40/87/690344087.db2.gz PHWQSNKAYBKENY-SQNIBIBYSA-N 1 3 322.493 2.378 20 0 DEADHO C[C@H]([NH2+]CC1CC1)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001036413435 690345339 /nfs/dbraw/zinc/34/53/39/690345339.db2.gz OBEXSPXNPAAANY-HOCLYGCPSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](NC[C@@H](O)CC1(O)CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000878412246 690400690 /nfs/dbraw/zinc/40/06/90/690400690.db2.gz UFKIYPJGJJWQPX-BQFCYCMXSA-N 1 3 324.509 2.285 20 0 DEADHO C[C@H](NC[C@@H](O)CC1(O)CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000878412246 690400693 /nfs/dbraw/zinc/40/06/93/690400693.db2.gz UFKIYPJGJJWQPX-BQFCYCMXSA-N 1 3 324.509 2.285 20 0 DEADHO C[C@@H]1C[C@@H](C(C)(C)C)CCN1CC(=O)NC1CC[NH+](C)CC1 ZINC000878620845 690457212 /nfs/dbraw/zinc/45/72/12/690457212.db2.gz XTHDNKQLSAHUGB-CABCVRRESA-N 1 3 309.498 2.343 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CC3CC3)C2)CC1 ZINC001036854293 690499906 /nfs/dbraw/zinc/49/99/06/690499906.db2.gz IVXOKRVGTGRMDF-ROUUACIJSA-N 1 3 319.493 2.051 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CC3CC3)C2)CC1 ZINC001036854293 690499908 /nfs/dbraw/zinc/49/99/08/690499908.db2.gz IVXOKRVGTGRMDF-ROUUACIJSA-N 1 3 319.493 2.051 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CC3CC3)C2)CC1 ZINC001036854291 690500175 /nfs/dbraw/zinc/50/01/75/690500175.db2.gz IVXOKRVGTGRMDF-MSOLQXFVSA-N 1 3 319.493 2.051 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H]3[C@H](CC[N@H+]3CC3CC3)C2)CC1 ZINC001036854291 690500177 /nfs/dbraw/zinc/50/01/77/690500177.db2.gz IVXOKRVGTGRMDF-MSOLQXFVSA-N 1 3 319.493 2.051 20 0 DEADHO CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1CC ZINC001037853454 690623901 /nfs/dbraw/zinc/62/39/01/690623901.db2.gz IUTXCLHNDKZMAA-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CC1CCC1 ZINC001037858127 690625090 /nfs/dbraw/zinc/62/50/90/690625090.db2.gz FEBLGTSJSXFEBM-FUHWJXTLSA-N 1 3 321.509 2.488 20 0 DEADHO CCC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@H]1CC ZINC001037949503 690647190 /nfs/dbraw/zinc/64/71/90/690647190.db2.gz MPBPKGBFBSWDIC-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CC[NH+](CC)CCCN1CCN[C@@H](c2cccc(OC)c2)C1 ZINC000879524799 690662972 /nfs/dbraw/zinc/66/29/72/690662972.db2.gz PFZSNQHLZNOZGG-GOSISDBHSA-N 1 3 305.466 2.373 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CC(CC)CC ZINC001038325204 690781292 /nfs/dbraw/zinc/78/12/92/690781292.db2.gz CVCLVACLVWWMMJ-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CC(CC)CC ZINC001038325204 690781296 /nfs/dbraw/zinc/78/12/96/690781296.db2.gz CVCLVACLVWWMMJ-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1ccc(C)c(OCCCN2CCC(O)(C[NH+](C)C)CC2)c1 ZINC000931486547 694410143 /nfs/dbraw/zinc/41/01/43/694410143.db2.gz FNXJXSPZPFYCHL-UHFFFAOYSA-N 1 3 320.477 2.461 20 0 DEADHO CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001039136389 691030893 /nfs/dbraw/zinc/03/08/93/691030893.db2.gz JLMPYNBQEGAKCT-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@H+]1CC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001039136389 691030895 /nfs/dbraw/zinc/03/08/95/691030895.db2.gz JLMPYNBQEGAKCT-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001039163362 691036540 /nfs/dbraw/zinc/03/65/40/691036540.db2.gz BEYPJLWJAPMDEO-AEFFLSMTSA-N 1 3 321.509 2.299 20 0 DEADHO CCC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001039163362 691036543 /nfs/dbraw/zinc/03/65/43/691036543.db2.gz BEYPJLWJAPMDEO-AEFFLSMTSA-N 1 3 321.509 2.299 20 0 DEADHO CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039233583 691063253 /nfs/dbraw/zinc/06/32/53/691063253.db2.gz MBKMRQHFCPNZKA-DLBZAZTESA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039233583 691063254 /nfs/dbraw/zinc/06/32/54/691063254.db2.gz MBKMRQHFCPNZKA-DLBZAZTESA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CC[C@@H](C)C1 ZINC001039298097 691076681 /nfs/dbraw/zinc/07/66/81/691076681.db2.gz KESIVRWHIVQFJK-CSNJMZFVSA-N 1 3 321.509 2.486 20 0 DEADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CCC2)CC[N@@H+]1C ZINC001039596499 691133588 /nfs/dbraw/zinc/13/35/88/691133588.db2.gz ZXBJZWGGBYFSNQ-NRSFXHEJSA-N 1 3 319.493 2.192 20 0 DEADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CCC2)CC[N@H+]1C ZINC001039596499 691133592 /nfs/dbraw/zinc/13/35/92/691133592.db2.gz ZXBJZWGGBYFSNQ-NRSFXHEJSA-N 1 3 319.493 2.192 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CC2)CC[N@@H+]1C ZINC001039875798 691159436 /nfs/dbraw/zinc/15/94/36/691159436.db2.gz FAAXKYOPQHSLGS-LEUOFYLZSA-N 1 3 319.493 2.192 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CC2)CC[N@H+]1C ZINC001039875798 691159439 /nfs/dbraw/zinc/15/94/39/691159439.db2.gz FAAXKYOPQHSLGS-LEUOFYLZSA-N 1 3 319.493 2.192 20 0 DEADHO CC[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040464735 691250978 /nfs/dbraw/zinc/25/09/78/691250978.db2.gz QHKIBJDPUGTYBV-SFHVURJKSA-N 1 3 307.482 2.053 20 0 DEADHO CC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040464735 691250982 /nfs/dbraw/zinc/25/09/82/691250982.db2.gz QHKIBJDPUGTYBV-SFHVURJKSA-N 1 3 307.482 2.053 20 0 DEADHO CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040465467 691252131 /nfs/dbraw/zinc/25/21/31/691252131.db2.gz YIVUCEUDXARIQZ-LJQANCHMSA-N 1 3 321.509 2.443 20 0 DEADHO CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040465467 691252135 /nfs/dbraw/zinc/25/21/35/691252135.db2.gz YIVUCEUDXARIQZ-LJQANCHMSA-N 1 3 321.509 2.443 20 0 DEADHO CC(C)C[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)CC1 ZINC001040730161 691282899 /nfs/dbraw/zinc/28/28/99/691282899.db2.gz SDDNZRFEULGNHZ-KRWDZBQOSA-N 1 3 321.509 2.297 20 0 DEADHO CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001041380350 691369621 /nfs/dbraw/zinc/36/96/21/691369621.db2.gz YJUTYLYRKBOALF-WMZOPIPTSA-N 1 3 309.498 2.297 20 0 DEADHO CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001041380350 691369624 /nfs/dbraw/zinc/36/96/24/691369624.db2.gz YJUTYLYRKBOALF-WMZOPIPTSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001041675180 691408457 /nfs/dbraw/zinc/40/84/57/691408457.db2.gz NWFVQAHJCSDWIF-IEBWSBKVSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001041675180 691408459 /nfs/dbraw/zinc/40/84/59/691408459.db2.gz NWFVQAHJCSDWIF-IEBWSBKVSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001041673588 691408903 /nfs/dbraw/zinc/40/89/03/691408903.db2.gz YNXAQKSBZKNIJF-IBGZPJMESA-N 1 3 321.509 2.443 20 0 DEADHO CCCC[N@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001041673588 691408907 /nfs/dbraw/zinc/40/89/07/691408907.db2.gz YNXAQKSBZKNIJF-IBGZPJMESA-N 1 3 321.509 2.443 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001041679793 691409658 /nfs/dbraw/zinc/40/96/58/691409658.db2.gz NZNZQAFNGBYIPQ-MJGOQNOKSA-N 1 3 319.493 2.219 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001041679793 691409661 /nfs/dbraw/zinc/40/96/61/691409661.db2.gz NZNZQAFNGBYIPQ-MJGOQNOKSA-N 1 3 319.493 2.219 20 0 DEADHO CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001041724060 691417543 /nfs/dbraw/zinc/41/75/43/691417543.db2.gz NIAHZWFRAGQPAB-WMZOPIPTSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001041724060 691417545 /nfs/dbraw/zinc/41/75/45/691417545.db2.gz NIAHZWFRAGQPAB-WMZOPIPTSA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001041845603 691444319 /nfs/dbraw/zinc/44/43/19/691444319.db2.gz JPVSTXTXCWOPAU-IEBWSBKVSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001041845603 691444323 /nfs/dbraw/zinc/44/43/23/691444323.db2.gz JPVSTXTXCWOPAU-IEBWSBKVSA-N 1 3 321.509 2.441 20 0 DEADHO C([C@@H]1CCC2(CCOCC2)O1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000883430120 691507424 /nfs/dbraw/zinc/50/74/24/691507424.db2.gz NKASDFJNOMATQZ-IXDOHACOSA-N 1 3 308.466 2.179 20 0 DEADHO [NH3+]C[C@]12CCC[C@H]1CN(C[C@H]1CCC3(CCOCC3)CO1)C2 ZINC000883434809 691508821 /nfs/dbraw/zinc/50/88/21/691508821.db2.gz BMLRUZQRWHHAEK-JZXOWHBKSA-N 1 3 308.466 2.023 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001042187134 691531695 /nfs/dbraw/zinc/53/16/95/691531695.db2.gz LWJJUOMNBUUWPD-IRXDYDNUSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)C[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001042187134 691531698 /nfs/dbraw/zinc/53/16/98/691531698.db2.gz LWJJUOMNBUUWPD-IRXDYDNUSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H](N)CC2CC2)CC1 ZINC000884213498 691684464 /nfs/dbraw/zinc/68/44/64/691684464.db2.gz DAFAGTRMZHRCGM-KSSFIOAISA-N 1 3 315.461 2.456 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044750440 691881656 /nfs/dbraw/zinc/88/16/56/691881656.db2.gz OIUWUQHVDRIPPT-ZBFHGGJFSA-N 1 3 312.417 2.122 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC1=CCCCC1)C1CC1 ZINC001045067101 691935004 /nfs/dbraw/zinc/93/50/04/691935004.db2.gz FRCVOOZWVNWMOB-ROUUACIJSA-N 1 3 319.493 2.408 20 0 DEADHO Cc1[nH]nc(CNCc2ccc(OCC[NH+](C)C)cc2)c1C ZINC000885924335 691963754 /nfs/dbraw/zinc/96/37/54/691963754.db2.gz NLALYEMMQYXXGL-UHFFFAOYSA-N 1 3 302.422 2.257 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)N(C)C ZINC001045796938 692028813 /nfs/dbraw/zinc/02/88/13/692028813.db2.gz HSNHNZLSIMKBPS-IKGGRYGDSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)N(C)C ZINC001045796938 692028817 /nfs/dbraw/zinc/02/88/17/692028817.db2.gz HSNHNZLSIMKBPS-IKGGRYGDSA-N 1 3 307.482 2.048 20 0 DEADHO C[C@H]([NH2+]CC1CCCC1)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047866203 692503378 /nfs/dbraw/zinc/50/33/78/692503378.db2.gz ALVAYTOHCGGHNW-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C[NH2+]CC1CCCC1 ZINC001048278244 692589863 /nfs/dbraw/zinc/58/98/63/692589863.db2.gz WRPCFSVDBANLLT-WBVHZDCISA-N 1 3 321.509 2.345 20 0 DEADHO CCN1CC[C@H](C[NH2+][C@@H](C)[C@@H](NC(C)=O)c2ccccc2F)C1 ZINC000924708416 693175059 /nfs/dbraw/zinc/17/50/59/693175059.db2.gz YEXMVXGXUJMFNR-JCKWVBRZSA-N 1 3 321.440 2.323 20 0 DEADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCCN1CCc2sccc2C1 ZINC000924743349 693180038 /nfs/dbraw/zinc/18/00/38/693180038.db2.gz PMPJFPFQMYXPSA-FKEKPDDDSA-N 1 3 305.491 2.036 20 0 DEADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCCN1CCc2sccc2C1 ZINC000924743349 693180040 /nfs/dbraw/zinc/18/00/40/693180040.db2.gz PMPJFPFQMYXPSA-FKEKPDDDSA-N 1 3 305.491 2.036 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCN1CCc2sccc2C1 ZINC000924743349 693180041 /nfs/dbraw/zinc/18/00/41/693180041.db2.gz PMPJFPFQMYXPSA-FKEKPDDDSA-N 1 3 305.491 2.036 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CC[NH+](CCC(C)C)CC2)N(C)C ZINC001050562670 693207655 /nfs/dbraw/zinc/20/76/55/693207655.db2.gz FGZWRXLYLVSOJS-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[C@H](C(=O)N1CC2(C1)CC[NH+](CCC1CC1)CC2)N(C)C ZINC001050650812 693224425 /nfs/dbraw/zinc/22/44/25/693224425.db2.gz HADBBXFTKGAKAB-QGZVFWFLSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCN3CCCC[C@@H]23)C[C@H](C)O1 ZINC000925439497 693272751 /nfs/dbraw/zinc/27/27/51/693272751.db2.gz KYNIVCVNIXNVMT-HCXYKTFWSA-N 1 3 323.525 2.482 20 0 DEADHO Cc1nc(CN2CCC(CN[C@@H]3CC[NH2+]C3(C)C)CC2)oc1C ZINC000925480509 693279962 /nfs/dbraw/zinc/27/99/62/693279962.db2.gz WLLOMLSRRWMJLH-MRXNPFEDSA-N 1 3 320.481 2.234 20 0 DEADHO CC1CCN([C@H](CN[C@@H]2C[NH2+]CCOC2)c2ccccc2)CC1 ZINC000925491065 693281158 /nfs/dbraw/zinc/28/11/58/693281158.db2.gz DACWOIPBKNZIBR-RTBURBONSA-N 1 3 317.477 2.038 20 0 DEADHO COC(=O)Nc1ccc(CCN[C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925579836 693302946 /nfs/dbraw/zinc/30/29/46/693302946.db2.gz HABBLSHOCRZADG-LSDHHAIUSA-N 1 3 303.406 2.267 20 0 DEADHO C(N[C@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@@H]1COC2(CCCC2)O1 ZINC000925632154 693312890 /nfs/dbraw/zinc/31/28/90/693312890.db2.gz VMMUKUVXIROUOO-IKGGRYGDSA-N 1 3 308.466 2.430 20 0 DEADHO C([NH2+][C@H]1CCNC[C@H]1C1CCCC1)[C@@H]1COC2(CCCC2)O1 ZINC000925632154 693312895 /nfs/dbraw/zinc/31/28/95/693312895.db2.gz VMMUKUVXIROUOO-IKGGRYGDSA-N 1 3 308.466 2.430 20 0 DEADHO C(N[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@@H]1COC2(CCCC2)O1 ZINC000925632155 693313006 /nfs/dbraw/zinc/31/30/06/693313006.db2.gz VMMUKUVXIROUOO-IXDOHACOSA-N 1 3 308.466 2.430 20 0 DEADHO C([NH2+][C@@H]1CCNC[C@H]1C1CCCC1)[C@@H]1COC2(CCCC2)O1 ZINC000925632155 693313011 /nfs/dbraw/zinc/31/30/11/693313011.db2.gz VMMUKUVXIROUOO-IXDOHACOSA-N 1 3 308.466 2.430 20 0 DEADHO Cn1nc(CCN[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c2ccccc21 ZINC000925641146 693314686 /nfs/dbraw/zinc/31/46/86/693314686.db2.gz KYBBYFKKSLVOJD-JLSDUUJJSA-N 1 3 312.461 2.482 20 0 DEADHO Cn1nc(CC[NH2+][C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)c2ccccc21 ZINC000925641146 693314691 /nfs/dbraw/zinc/31/46/91/693314691.db2.gz KYBBYFKKSLVOJD-JLSDUUJJSA-N 1 3 312.461 2.482 20 0 DEADHO N[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)C12CCC2 ZINC000925663843 693321092 /nfs/dbraw/zinc/32/10/92/693321092.db2.gz AQACJHZXDMAFPA-BZUAXINKSA-N 1 3 314.433 2.152 20 0 DEADHO C(N[C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CCC2(CCOCC2)CO1 ZINC000925737197 693332587 /nfs/dbraw/zinc/33/25/87/693332587.db2.gz PUNBUYALKVNAFN-XSLAGTTESA-N 1 3 322.493 2.473 20 0 DEADHO C[C@@H](NCc1cc(N)ccn1)c1cccc(OCC[NH+](C)C)c1 ZINC000925770807 693339035 /nfs/dbraw/zinc/33/90/35/693339035.db2.gz JWPWMMOEKRNXOM-CQSZACIVSA-N 1 3 314.433 2.455 20 0 DEADHO [NH3+]C1CCN(CCN[C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000925815999 693346394 /nfs/dbraw/zinc/34/63/94/693346394.db2.gz BWIMWDJDWMODQB-CYBMUJFWSA-N 1 3 313.367 2.104 20 0 DEADHO COc1ccccc1[C@H](C)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925854038 693354051 /nfs/dbraw/zinc/35/40/51/693354051.db2.gz JXJLYVSPLNYJAH-KBPBESRZSA-N 1 3 318.417 2.031 20 0 DEADHO CN1CCN(CC[NH2+][C@@H]2CCOC23CCCCC3)CC1(C)C ZINC000926357367 693436346 /nfs/dbraw/zinc/43/63/46/693436346.db2.gz ORFLRFVJBQZMQC-MRXNPFEDSA-N 1 3 309.498 2.094 20 0 DEADHO CCCN1C[C@H](C[NH2+]C2CCN(CCC(C)C)CC2)CC1=O ZINC000926602851 693477218 /nfs/dbraw/zinc/47/72/18/693477218.db2.gz YSOXWOAZVOJQIN-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO C([NH2+][C@@H]1CCOC12CCOCC2)[C@@H]1CCCN(CC2CC2)C1 ZINC000926739689 693501755 /nfs/dbraw/zinc/50/17/55/693501755.db2.gz XJVVFNRZIZJHAM-DLBZAZTESA-N 1 3 308.466 2.036 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2CC2)CC1 ZINC001052376539 693519130 /nfs/dbraw/zinc/51/91/30/693519130.db2.gz HMECICOVHWZZGW-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CC2)CC1 ZINC001052376539 693519133 /nfs/dbraw/zinc/51/91/33/693519133.db2.gz HMECICOVHWZZGW-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO CCN(C(=O)NC1CCC(C)([NH+]2CCC2)CC1)[C@H]1CCN(C)C1 ZINC000927299314 693583331 /nfs/dbraw/zinc/58/33/31/693583331.db2.gz PMGIIAQKBUDQHX-PQUAAJSLSA-N 1 3 322.497 2.129 20 0 DEADHO CC[C@@H](F)CN1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052680406 693594716 /nfs/dbraw/zinc/59/47/16/693594716.db2.gz KEKOEYFSRUPARN-CVEARBPZSA-N 1 3 313.461 2.047 20 0 DEADHO c1[nH]nc2cc(CNC3CC[NH+](C[C@H]4CCCO4)CC3)ccc12 ZINC001414084829 1150364123 /nfs/dbraw/zinc/36/41/23/1150364123.db2.gz MCSJPFWNNGHOLC-QGZVFWFLSA-N 1 3 314.433 2.296 20 0 DEADHO CC(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001480079892 1151560332 /nfs/dbraw/zinc/56/03/32/1151560332.db2.gz VDSQBSHWIZWIQF-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001402691853 1162443715 /nfs/dbraw/zinc/44/37/15/1162443715.db2.gz IZMGQDROCLTBQU-KRWDZBQOSA-N 1 3 309.498 2.347 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC001379808257 1152699160 /nfs/dbraw/zinc/69/91/60/1152699160.db2.gz QETDILYDPHYNQP-IRXDYDNUSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC2(C1)CC[NH+](CCCF)CC2 ZINC001380203203 1152767786 /nfs/dbraw/zinc/76/77/86/1152767786.db2.gz NQFVIOFLRGRVIE-UHFFFAOYSA-N 1 3 313.461 2.001 20 0 DEADHO CC[N@H+](C)Cc1ccccc1CNC(=O)CN1CC[C@H](C)C1 ZINC001380776777 1152855364 /nfs/dbraw/zinc/85/53/64/1152855364.db2.gz DBLAKRMNTNOMHI-HNNXBMFYSA-N 1 3 303.450 2.096 20 0 DEADHO CC[N@@H+](C)Cc1ccccc1CNC(=O)CN1CC[C@H](C)C1 ZINC001380776777 1152855366 /nfs/dbraw/zinc/85/53/66/1152855366.db2.gz DBLAKRMNTNOMHI-HNNXBMFYSA-N 1 3 303.450 2.096 20 0 DEADHO C[C@@H](NCCF)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001380779775 1152856245 /nfs/dbraw/zinc/85/62/45/1152856245.db2.gz HSZGYEFPAGRICK-LSDHHAIUSA-N 1 3 321.440 2.265 20 0 DEADHO C[C@@H](NCCF)c1ccc(CNC(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC001380779775 1152856247 /nfs/dbraw/zinc/85/62/47/1152856247.db2.gz HSZGYEFPAGRICK-LSDHHAIUSA-N 1 3 321.440 2.265 20 0 DEADHO CN(C)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001362246373 1152859910 /nfs/dbraw/zinc/85/99/10/1152859910.db2.gz FHCIYCNFKDPDOM-QAPCUYQASA-N 1 3 317.477 2.485 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)CCC[N@H+](C)CC1CCC1 ZINC001380989451 1152890682 /nfs/dbraw/zinc/89/06/82/1152890682.db2.gz OAWAWXNJAATCOK-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1[NH2+]C/C=C/Cl ZINC001381100230 1152908296 /nfs/dbraw/zinc/90/82/96/1152908296.db2.gz GIVCSACQMZLYEU-AFJNRPGYSA-N 1 3 315.889 2.153 20 0 DEADHO CN(CC(=O)NC1CC(C[NH2+]Cc2ccsc2)C1)C1CCC1 ZINC001381330179 1153006815 /nfs/dbraw/zinc/00/68/15/1153006815.db2.gz CZPOOGFLLTUBQW-UHFFFAOYSA-N 1 3 321.490 2.217 20 0 DEADHO CC[N@H+](CCF)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001402892562 1162521131 /nfs/dbraw/zinc/52/11/31/1162521131.db2.gz QYZUWABZRHEHIE-UHFFFAOYSA-N 1 3 313.461 2.001 20 0 DEADHO CC[N@@H+](CCF)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001402892562 1162521137 /nfs/dbraw/zinc/52/11/37/1162521137.db2.gz QYZUWABZRHEHIE-UHFFFAOYSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@H](CNC(=O)[C@H](C)N1CCCCCC1)[N@H+](C)CCCF ZINC001381585056 1153139534 /nfs/dbraw/zinc/13/95/34/1153139534.db2.gz DLENJDXUIQYCHV-CABCVRRESA-N 1 3 301.450 2.047 20 0 DEADHO C[C@H](CNC(=O)[C@H](C)N1CCCCCC1)[N@@H+](C)CCCF ZINC001381585056 1153139537 /nfs/dbraw/zinc/13/95/37/1153139537.db2.gz DLENJDXUIQYCHV-CABCVRRESA-N 1 3 301.450 2.047 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N(C)Cc1ccc(F)cc1C ZINC001381599256 1153146878 /nfs/dbraw/zinc/14/68/78/1153146878.db2.gz JRCGPIDSWMEPJJ-OAHLLOKOSA-N 1 3 323.456 2.412 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N(C)Cc1ccc(F)cc1C ZINC001381599256 1153146885 /nfs/dbraw/zinc/14/68/85/1153146885.db2.gz JRCGPIDSWMEPJJ-OAHLLOKOSA-N 1 3 323.456 2.412 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@@H+]3C2)CC1 ZINC001362982330 1153171596 /nfs/dbraw/zinc/17/15/96/1153171596.db2.gz BRIRUMHLCSMADF-BRWVUGGUSA-N 1 3 321.509 2.440 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@H+]3C2)CC1 ZINC001362982330 1153171598 /nfs/dbraw/zinc/17/15/98/1153171598.db2.gz BRIRUMHLCSMADF-BRWVUGGUSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCN(C)C(C)(C)CC1)[NH+]1CCCCC1 ZINC001363172716 1153253234 /nfs/dbraw/zinc/25/32/34/1153253234.db2.gz NWDYAUVMJCNTOS-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO COc1ccc([C@@H](CN(C)C)NC(=O)[C@@H](C)CC[NH+](C)C)cc1 ZINC001363173808 1153253879 /nfs/dbraw/zinc/25/38/79/1153253879.db2.gz JGNWIRJWMCAWOC-WMLDXEAASA-N 1 3 321.465 2.002 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccccc2)C[C@H]1C ZINC001382312932 1153420819 /nfs/dbraw/zinc/42/08/19/1153420819.db2.gz MPYZYYKIVICNJP-WBVHZDCISA-N 1 3 303.450 2.106 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccccc2)C[C@@H]1C ZINC001382312929 1153421242 /nfs/dbraw/zinc/42/12/42/1153421242.db2.gz MPYZYYKIVICNJP-RDJZCZTQSA-N 1 3 303.450 2.106 20 0 DEADHO CC[NH+](CC)[C@@H](C(=O)N1CC(N2CCCC2)C1)c1ccccc1 ZINC001363474349 1153425101 /nfs/dbraw/zinc/42/51/01/1153425101.db2.gz NSBYRFWYNVEIDP-GOSISDBHSA-N 1 3 315.461 2.376 20 0 DEADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccccc2F)C1)N(C)C ZINC001382587201 1153476529 /nfs/dbraw/zinc/47/65/29/1153476529.db2.gz CTQHPPGNGHFXDX-DQPZFDDXSA-N 1 3 321.440 2.245 20 0 DEADHO CC[C@H](C(=O)NC1(C2CC[NH+](CC(C)C)CC2)CC1)N(C)C ZINC001382589236 1153477117 /nfs/dbraw/zinc/47/71/17/1153477117.db2.gz MWELHXRDVUAVLF-MRXNPFEDSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]1CC[NH+]1CCC(C)CC1)N(C)C ZINC001363598245 1153478870 /nfs/dbraw/zinc/47/88/70/1153478870.db2.gz LHYCWCGSRBRAKK-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO C[N@@H+]1C[C@H](NC(=O)c2ccc(NC3=NCCC3)cc2)C(C)(C)C1 ZINC001363619716 1153494766 /nfs/dbraw/zinc/49/47/66/1153494766.db2.gz QTWNPKZFSNMRLL-HNNXBMFYSA-N 1 3 314.433 2.361 20 0 DEADHO C[N@H+]1C[C@H](NC(=O)c2ccc(NC3=NCCC3)cc2)C(C)(C)C1 ZINC001363619716 1153494769 /nfs/dbraw/zinc/49/47/69/1153494769.db2.gz QTWNPKZFSNMRLL-HNNXBMFYSA-N 1 3 314.433 2.361 20 0 DEADHO Cc1cc(C)n(CC[N@H+]2C[C@@]34CN(C)C[C@]3(C2)CCCC4)n1 ZINC001363861048 1153676046 /nfs/dbraw/zinc/67/60/46/1153676046.db2.gz WOTJTCQRSIYIFZ-HDICACEKSA-N 1 3 302.466 2.308 20 0 DEADHO Cc1cc(C)n(CC[N@@H+]2C[C@@]34CN(C)C[C@]3(C2)CCCC4)n1 ZINC001363861048 1153676047 /nfs/dbraw/zinc/67/60/47/1153676047.db2.gz WOTJTCQRSIYIFZ-HDICACEKSA-N 1 3 302.466 2.308 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+]Cc2ccc(CO)cc2)CC1 ZINC001363918655 1153721381 /nfs/dbraw/zinc/72/13/81/1153721381.db2.gz IDKAHOAPPOQINM-UHFFFAOYSA-N 1 3 318.461 2.302 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1)N(C)C ZINC001403081919 1162695829 /nfs/dbraw/zinc/69/58/29/1162695829.db2.gz JOXDIGCPFUHAAH-WBVHZDCISA-N 1 3 305.466 2.238 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2C)C1 ZINC001390011571 1155498870 /nfs/dbraw/zinc/49/88/70/1155498870.db2.gz PJRDMHIKKYDQSD-CALCHBBNSA-N 1 3 321.440 2.213 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@H+](CC2CC(C)C2)C1 ZINC001390069294 1155518834 /nfs/dbraw/zinc/51/88/34/1155518834.db2.gz YYVQGWFBAORVJP-CGZBRXJRSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@@H+](CC2CC(C)C2)C1 ZINC001390069294 1155518837 /nfs/dbraw/zinc/51/88/37/1155518837.db2.gz YYVQGWFBAORVJP-CGZBRXJRSA-N 1 3 309.498 2.201 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H](NCc2nccs2)C1 ZINC001390612277 1155813642 /nfs/dbraw/zinc/81/36/42/1155813642.db2.gz LMHUMPZPUNQVBO-KGLIPLIRSA-N 1 3 324.494 2.002 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@@H](NCc2nccs2)C1 ZINC001390612277 1155813643 /nfs/dbraw/zinc/81/36/43/1155813643.db2.gz LMHUMPZPUNQVBO-KGLIPLIRSA-N 1 3 324.494 2.002 20 0 DEADHO Cc1ccc(C)c(C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001371433450 1155852315 /nfs/dbraw/zinc/85/23/15/1155852315.db2.gz UMSJKBFJCXAREH-FUHWJXTLSA-N 1 3 319.493 2.484 20 0 DEADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]C/C=C/Cl ZINC001371463566 1155856458 /nfs/dbraw/zinc/85/64/58/1155856458.db2.gz GCEZYXFUEVUZFZ-OQHXTRMZSA-N 1 3 309.841 2.209 20 0 DEADHO CCc1ccc(CN(C)CCNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001390813809 1155880119 /nfs/dbraw/zinc/88/01/19/1155880119.db2.gz UXCSLYXDRBEODR-UHFFFAOYSA-N 1 3 317.477 2.139 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](C)CCc1ccccc1 ZINC001390862414 1155894531 /nfs/dbraw/zinc/89/45/31/1155894531.db2.gz IPNLKBPHXQRIIK-SFHVURJKSA-N 1 3 317.477 2.152 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](C)CCc1ccccc1 ZINC001390862414 1155894535 /nfs/dbraw/zinc/89/45/35/1155894535.db2.gz IPNLKBPHXQRIIK-SFHVURJKSA-N 1 3 317.477 2.152 20 0 DEADHO CC[C@H](C(=O)NCC[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC001391302257 1156322922 /nfs/dbraw/zinc/32/29/22/1156322922.db2.gz UPHQXGNSVDUEMK-ZWKOTPCHSA-N 1 3 317.477 2.355 20 0 DEADHO CC[C@H](C(=O)NCC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC001391302257 1156322925 /nfs/dbraw/zinc/32/29/25/1156322925.db2.gz UPHQXGNSVDUEMK-ZWKOTPCHSA-N 1 3 317.477 2.355 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CCC(F)(F)F)C1)N(C)C ZINC001391358738 1156356255 /nfs/dbraw/zinc/35/62/55/1156356255.db2.gz NRKXEDBIFOFUKD-OLZOCXBDSA-N 1 3 323.403 2.059 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CCC(F)(F)F)C1)N(C)C ZINC001391358738 1156356262 /nfs/dbraw/zinc/35/62/62/1156356262.db2.gz NRKXEDBIFOFUKD-OLZOCXBDSA-N 1 3 323.403 2.059 20 0 DEADHO CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001391580569 1156560005 /nfs/dbraw/zinc/56/00/05/1156560005.db2.gz SXESYCJZNGJLAP-BBWFWOEESA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)C[C@H](C)C[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001391580569 1156560016 /nfs/dbraw/zinc/56/00/16/1156560016.db2.gz SXESYCJZNGJLAP-BBWFWOEESA-N 1 3 311.514 2.445 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001372670066 1156661651 /nfs/dbraw/zinc/66/16/51/1156661651.db2.gz LCCAFDOGCUUWKR-OAHLLOKOSA-N 1 3 309.498 2.203 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001372670066 1156661660 /nfs/dbraw/zinc/66/16/60/1156661660.db2.gz LCCAFDOGCUUWKR-OAHLLOKOSA-N 1 3 309.498 2.203 20 0 DEADHO CCC[N@H+](CCNC(=O)[C@H]1CCCN1C)Cc1csc(C)c1 ZINC001372682919 1156680131 /nfs/dbraw/zinc/68/01/31/1156680131.db2.gz BTWIJYHUNNILOO-MRXNPFEDSA-N 1 3 323.506 2.479 20 0 DEADHO CCC[N@@H+](CCNC(=O)[C@H]1CCCN1C)Cc1csc(C)c1 ZINC001372682919 1156680132 /nfs/dbraw/zinc/68/01/32/1156680132.db2.gz BTWIJYHUNNILOO-MRXNPFEDSA-N 1 3 323.506 2.479 20 0 DEADHO CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1ccc(F)cc1 ZINC001391743854 1156767125 /nfs/dbraw/zinc/76/71/25/1156767125.db2.gz QGXQXOGLATUWFX-IAGOWNOFSA-N 1 3 323.456 2.396 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1([NH2+]CCF)CCCC1 ZINC001392017260 1156850176 /nfs/dbraw/zinc/85/01/76/1156850176.db2.gz HBFJIYIPZCHEPJ-OAHLLOKOSA-N 1 3 313.461 2.237 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001392103802 1156867884 /nfs/dbraw/zinc/86/78/84/1156867884.db2.gz GYXIPBZXCKZNQU-PBHICJAKSA-N 1 3 323.456 2.411 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CC2CCC2)C1 ZINC001392187534 1156885218 /nfs/dbraw/zinc/88/52/18/1156885218.db2.gz IDBMXDVTAIKDGV-DOTOQJQBSA-N 1 3 309.498 2.345 20 0 DEADHO CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001392193529 1156886946 /nfs/dbraw/zinc/88/69/46/1156886946.db2.gz QSAVDCIDDXHFJC-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](CNCc1ccccc1F)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001392573748 1157151019 /nfs/dbraw/zinc/15/10/19/1157151019.db2.gz FGRLTWOPXHJMRT-HOCLYGCPSA-N 1 3 321.440 2.294 20 0 DEADHO C[C@@H](CNCc1ccccc1F)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001392573748 1157151039 /nfs/dbraw/zinc/15/10/39/1157151039.db2.gz FGRLTWOPXHJMRT-HOCLYGCPSA-N 1 3 321.440 2.294 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C1C[NH+](CCCC2CCC2)C1)N(C)C ZINC001403314029 1162847800 /nfs/dbraw/zinc/84/78/00/1162847800.db2.gz CWGIKINGUPDPIM-RHSMWYFYSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)N[C@H](C[NH2+]Cc1ccc(C)cc1)C1CC1)N(C)C ZINC001392784037 1157410379 /nfs/dbraw/zinc/41/03/79/1157410379.db2.gz LIUPRBXXQXVXAU-QZTJIDSGSA-N 1 3 317.477 2.320 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001374014116 1157545488 /nfs/dbraw/zinc/54/54/88/1157545488.db2.gz NYOPOZJIUKAJEM-HUUCEWRRSA-N 1 3 315.477 2.341 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1ccsc1 ZINC001374031660 1157555262 /nfs/dbraw/zinc/55/52/62/1157555262.db2.gz WEBBONCCZAXSDL-ZDUSSCGKSA-N 1 3 309.479 2.074 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001392965089 1157570384 /nfs/dbraw/zinc/57/03/84/1157570384.db2.gz ONNROPMUCDSBRF-AWEZNQCLSA-N 1 3 321.440 2.465 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)C[NH2+][C@@H]1CCc2ccccc21 ZINC001374106510 1157629328 /nfs/dbraw/zinc/62/93/28/1157629328.db2.gz XUIGADMWHQOPRJ-CRAIPNDOSA-N 1 3 317.477 2.358 20 0 DEADHO CC[C@@H](C(=O)NC1(C)CC[NH+](Cc2ccccc2)CC1)N(C)C ZINC001393066914 1157650081 /nfs/dbraw/zinc/65/00/81/1157650081.db2.gz WVJVENKKMIBUKC-KRWDZBQOSA-N 1 3 317.477 2.498 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CC[C@@H](C[NH2+]C[C@@H](F)CC)CC1)N(C)C ZINC001393490705 1157842502 /nfs/dbraw/zinc/84/25/02/1157842502.db2.gz NFBCDJZFTAJPKL-YHUYYLMFSA-N 1 3 315.477 2.339 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCC2)CC1(C)C)N(C)C ZINC001393769496 1157962221 /nfs/dbraw/zinc/96/22/21/1157962221.db2.gz QNHUYTQEOUUODH-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CCC2)CC1(C)C)N(C)C ZINC001393769496 1157962231 /nfs/dbraw/zinc/96/22/31/1157962231.db2.gz QNHUYTQEOUUODH-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)N(CC)CC[NH2+][C@H]1CCc2ccccc21)N(C)C ZINC001374705929 1157970693 /nfs/dbraw/zinc/97/06/93/1157970693.db2.gz RZAZNFWINWYLRG-ZWKOTPCHSA-N 1 3 317.477 2.452 20 0 DEADHO C[C@@H](NC(=O)C(C)(C)N1CCCCC1)[C@H](C)[NH2+]C/C=C\Cl ZINC001393931383 1158079368 /nfs/dbraw/zinc/07/93/68/1158079368.db2.gz IZZHJRFLDBVSRD-WFNIXHHISA-N 1 3 315.889 2.486 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C)nc1C ZINC001394008024 1158159238 /nfs/dbraw/zinc/15/92/38/1158159238.db2.gz XJCUTSRSQWYYGB-HUUCEWRRSA-N 1 3 320.481 2.023 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCC2)C1)N(C)C ZINC001394369053 1158435994 /nfs/dbraw/zinc/43/59/94/1158435994.db2.gz KNXWAJDYXCOLNM-BRWVUGGUSA-N 1 3 309.498 2.247 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@@H]1CCN1[C@@H]1CCCc2ccccc21 ZINC001375341103 1158514168 /nfs/dbraw/zinc/51/41/68/1158514168.db2.gz OPQDHRYXBBZGDP-FUHWJXTLSA-N 1 3 315.461 2.206 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC001375517345 1158795071 /nfs/dbraw/zinc/79/50/71/1158795071.db2.gz DVKPEQBDUMTDLI-CWRNSKLLSA-N 1 3 320.481 2.427 20 0 DEADHO CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001375625579 1158832005 /nfs/dbraw/zinc/83/20/05/1158832005.db2.gz SMOFXGASRJTLPM-GOSISDBHSA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001375625579 1158832006 /nfs/dbraw/zinc/83/20/06/1158832006.db2.gz SMOFXGASRJTLPM-GOSISDBHSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCCC[C@H]([NH2+]CCC2CC2)C1 ZINC001375650683 1158838475 /nfs/dbraw/zinc/83/84/75/1158838475.db2.gz NUITTYPKSJXVDK-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001375759282 1158863227 /nfs/dbraw/zinc/86/32/27/1158863227.db2.gz GFCOLSPINZWHOX-ZBFHGGJFSA-N 1 3 306.454 2.215 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCCC(C)C)C[C@@H]2C1)N(C)C ZINC001376418357 1159397742 /nfs/dbraw/zinc/39/77/42/1159397742.db2.gz PCPWHQOIHMZZBQ-IXDOHACOSA-N 1 3 309.498 2.153 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CCCC(C)C)C[C@@H]2C1)N(C)C ZINC001376418357 1159397751 /nfs/dbraw/zinc/39/77/51/1159397751.db2.gz PCPWHQOIHMZZBQ-IXDOHACOSA-N 1 3 309.498 2.153 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]([NH2+]CCC(C)(C)C)C2)CCC1 ZINC001397116454 1159999464 /nfs/dbraw/zinc/99/94/64/1159999464.db2.gz AMIINMBXHVLELH-SHTZXODSSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1cc(C)cc(C[N@@H+](C)CCNC(=O)C2(N(C)C)CCC2)c1 ZINC001377170580 1160008018 /nfs/dbraw/zinc/00/80/18/1160008018.db2.gz LYXJQKVPIGVNOX-UHFFFAOYSA-N 1 3 317.477 2.336 20 0 DEADHO Cc1cc(C)cc(C[N@H+](C)CCNC(=O)C2(N(C)C)CCC2)c1 ZINC001377170580 1160008025 /nfs/dbraw/zinc/00/80/25/1160008025.db2.gz LYXJQKVPIGVNOX-UHFFFAOYSA-N 1 3 317.477 2.336 20 0 DEADHO CC[N@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)CC1CC(F)(F)C1 ZINC001377336338 1160229857 /nfs/dbraw/zinc/22/98/57/1160229857.db2.gz GGLPTOUSFMLGCV-CQSZACIVSA-N 1 3 319.440 2.056 20 0 DEADHO CC[N@@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)CC1CC(F)(F)C1 ZINC001377336338 1160229868 /nfs/dbraw/zinc/22/98/68/1160229868.db2.gz GGLPTOUSFMLGCV-CQSZACIVSA-N 1 3 319.440 2.056 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2cccc(F)c2)C1)N(C)C ZINC001377469421 1160398527 /nfs/dbraw/zinc/39/85/27/1160398527.db2.gz QVXGFCDMWDUEBI-RDJZCZTQSA-N 1 3 321.440 2.104 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C1)N(C)C ZINC001377469421 1160398536 /nfs/dbraw/zinc/39/85/36/1160398536.db2.gz QVXGFCDMWDUEBI-RDJZCZTQSA-N 1 3 321.440 2.104 20 0 DEADHO CCC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)CC1CC(C)C1 ZINC001377497512 1160430954 /nfs/dbraw/zinc/43/09/54/1160430954.db2.gz PUSTZCPCCGPNON-GTPINHCMSA-N 1 3 309.498 2.203 20 0 DEADHO CCC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)CC1CC(C)C1 ZINC001377497512 1160430962 /nfs/dbraw/zinc/43/09/62/1160430962.db2.gz PUSTZCPCCGPNON-GTPINHCMSA-N 1 3 309.498 2.203 20 0 DEADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)[C@H]1C ZINC001397792972 1160510351 /nfs/dbraw/zinc/51/03/51/1160510351.db2.gz SKGQELNYHPKSSM-IXDOHACOSA-N 1 3 309.498 2.486 20 0 DEADHO CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)[C@H]1C ZINC001397792972 1160510367 /nfs/dbraw/zinc/51/03/67/1160510367.db2.gz SKGQELNYHPKSSM-IXDOHACOSA-N 1 3 309.498 2.486 20 0 DEADHO CC[N@H+](C)CCC(=O)N(C)CCN[C@@H](C)c1ccccc1F ZINC001377595588 1160575236 /nfs/dbraw/zinc/57/52/36/1160575236.db2.gz OMDSOKFKAVFRCE-AWEZNQCLSA-N 1 3 309.429 2.277 20 0 DEADHO CC[N@@H+](C)CCC(=O)N(C)CCN[C@@H](C)c1ccccc1F ZINC001377595588 1160575241 /nfs/dbraw/zinc/57/52/41/1160575241.db2.gz OMDSOKFKAVFRCE-AWEZNQCLSA-N 1 3 309.429 2.277 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001398231563 1160829015 /nfs/dbraw/zinc/82/90/15/1160829015.db2.gz LJZITRPYHQHCKM-KRWDZBQOSA-N 1 3 303.450 2.109 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(CCCc2ccsc2)C1 ZINC001398323926 1160856136 /nfs/dbraw/zinc/85/61/36/1160856136.db2.gz IKMNSOUJRKSCNS-MRXNPFEDSA-N 1 3 323.506 2.213 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CCCc2ccsc2)C1 ZINC001398323926 1160856139 /nfs/dbraw/zinc/85/61/39/1160856139.db2.gz IKMNSOUJRKSCNS-MRXNPFEDSA-N 1 3 323.506 2.213 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001398574783 1160993174 /nfs/dbraw/zinc/99/31/74/1160993174.db2.gz MEAVPSLSBPXXTI-DJIMGWMZSA-N 1 3 303.450 2.325 20 0 DEADHO CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001398601756 1161010624 /nfs/dbraw/zinc/01/06/24/1161010624.db2.gz ZKYWVIGDZMXTRA-CVEARBPZSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)NC/C=C\Cl ZINC001399010634 1161188826 /nfs/dbraw/zinc/18/88/26/1161188826.db2.gz DKPKRIMEAVUWAQ-APFBBLRHSA-N 1 3 315.889 2.488 20 0 DEADHO C[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)NC/C=C\Cl ZINC001399010634 1161188828 /nfs/dbraw/zinc/18/88/28/1161188828.db2.gz DKPKRIMEAVUWAQ-APFBBLRHSA-N 1 3 315.889 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)NCCN(C)Cc1ccc(CF)cc1)[NH+](C)C ZINC001399635933 1161491231 /nfs/dbraw/zinc/49/12/31/1161491231.db2.gz IZBZZYCDNYTOGA-KRWDZBQOSA-N 1 3 323.456 2.290 20 0 DEADHO CC[N@H+](CCNC(=O)[C@H]1CCCN1C)[C@@H](C)c1cccc(F)c1 ZINC001399697594 1161529311 /nfs/dbraw/zinc/52/93/11/1161529311.db2.gz ZHFUWCOOMFBCOH-WMLDXEAASA-N 1 3 321.440 2.419 20 0 DEADHO CC[N@@H+](CCNC(=O)[C@H]1CCCN1C)[C@@H](C)c1cccc(F)c1 ZINC001399697594 1161529314 /nfs/dbraw/zinc/52/93/14/1161529314.db2.gz ZHFUWCOOMFBCOH-WMLDXEAASA-N 1 3 321.440 2.419 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+]CCN(C)C(=O)CN2CC[C@H](C)C2)c1 ZINC001400067632 1161645338 /nfs/dbraw/zinc/64/53/38/1161645338.db2.gz LVZJCJYEGJXBFA-DLBZAZTESA-N 1 3 317.477 2.446 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CCN(CCCF)C1)[NH+]1CCCCC1 ZINC001400683377 1161800040 /nfs/dbraw/zinc/80/00/40/1161800040.db2.gz DCRQDNUNXHAKRS-CVEARBPZSA-N 1 3 313.461 2.047 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccsc1 ZINC001401629029 1162052050 /nfs/dbraw/zinc/05/20/50/1162052050.db2.gz UMCZMIXVGDUQRG-HOTGVXAUSA-N 1 3 323.506 2.464 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCc1ccccc1)N(C)C ZINC001401783638 1162128739 /nfs/dbraw/zinc/12/87/39/1162128739.db2.gz VNDYTYYWAYJNGL-RDJZCZTQSA-N 1 3 305.466 2.006 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCc1ccccc1)N(C)C ZINC001401783638 1162128743 /nfs/dbraw/zinc/12/87/43/1162128743.db2.gz VNDYTYYWAYJNGL-RDJZCZTQSA-N 1 3 305.466 2.006 20 0 DEADHO CC(C)(C(=O)N1CC[C@](C)(C[NH2+]CC2CC2)C1)N1CCCCC1 ZINC001402177687 1162275819 /nfs/dbraw/zinc/27/58/19/1162275819.db2.gz JDDHSSNXAMWKFG-LJQANCHMSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1)N(C)C ZINC001404068283 1163414932 /nfs/dbraw/zinc/41/49/32/1163414932.db2.gz AGLHHMRGPSJFJH-RDJZCZTQSA-N 1 3 323.525 2.447 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1)N(C)C ZINC001404068283 1163414937 /nfs/dbraw/zinc/41/49/37/1163414937.db2.gz AGLHHMRGPSJFJH-RDJZCZTQSA-N 1 3 323.525 2.447 20 0 DEADHO C[C@@H](F)CC[N@@H+]1CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001404076530 1163423313 /nfs/dbraw/zinc/42/33/13/1163423313.db2.gz HBGPYPQWGKMNHJ-CABCVRRESA-N 1 3 315.477 2.151 20 0 DEADHO C[C@@H](F)CC[N@H+]1CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001404076530 1163423323 /nfs/dbraw/zinc/42/33/23/1163423323.db2.gz HBGPYPQWGKMNHJ-CABCVRRESA-N 1 3 315.477 2.151 20 0 DEADHO CN(CC(=O)N1CC[C@H](C[N@H+](C)C/C=C\Cl)C1)C1CCC1 ZINC001404581327 1163722224 /nfs/dbraw/zinc/72/22/24/1163722224.db2.gz SVANZHKTNORQCN-SMGNDMQFSA-N 1 3 313.873 2.004 20 0 DEADHO CN(CC(=O)N1CC[C@H](C[N@@H+](C)C/C=C\Cl)C1)C1CCC1 ZINC001404581327 1163722228 /nfs/dbraw/zinc/72/22/28/1163722228.db2.gz SVANZHKTNORQCN-SMGNDMQFSA-N 1 3 313.873 2.004 20 0 DEADHO CCCN(C)CC(=O)NCC1C[NH+]([C@H](C)c2ccccc2C)C1 ZINC001404920513 1163860017 /nfs/dbraw/zinc/86/00/17/1163860017.db2.gz MQTUKDDWXGFWOY-MRXNPFEDSA-N 1 3 317.477 2.446 20 0 DEADHO C[C@H](C[NH2+]CC1CC1)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001405871780 1164303363 /nfs/dbraw/zinc/30/33/63/1164303363.db2.gz RRWDSEDGOZIKDQ-CXAGYDPISA-N 1 3 313.461 2.045 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CN2CCCC2)c(C)c1 ZINC001405890685 1164316029 /nfs/dbraw/zinc/31/60/29/1164316029.db2.gz MBMSXXFVAOJQCW-KRWDZBQOSA-N 1 3 317.477 2.336 20 0 DEADHO C[C@H]([NH2+]CCC1CC1)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001406012057 1164387608 /nfs/dbraw/zinc/38/76/08/1164387608.db2.gz XFPNZADSRVONIZ-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](F)CNC[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001406370167 1164556491 /nfs/dbraw/zinc/55/64/91/1164556491.db2.gz RTLANJUNNVLPAG-HUUCEWRRSA-N 1 3 315.477 2.341 20 0 DEADHO C[C@@H](C[NH2+]CC1CCCCCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001406515917 1164651079 /nfs/dbraw/zinc/65/10/79/1164651079.db2.gz BZYMFCYKFZMNMS-CVEARBPZSA-N 1 3 309.498 2.393 20 0 DEADHO Cc1ccc(C)c(C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001406566658 1164680308 /nfs/dbraw/zinc/68/03/08/1164680308.db2.gz XYYIVGUPNIFMSL-FUHWJXTLSA-N 1 3 319.493 2.484 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccc(C)cc1)N(C)C ZINC001406661096 1164773150 /nfs/dbraw/zinc/77/31/50/1164773150.db2.gz GNWILGLOTSGOHK-WBVHZDCISA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(C)cc1)N(C)C ZINC001406661096 1164773157 /nfs/dbraw/zinc/77/31/57/1164773157.db2.gz GNWILGLOTSGOHK-WBVHZDCISA-N 1 3 305.466 2.272 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]C/C=C\Cl)C[C@@H]1C ZINC001407077211 1164957422 /nfs/dbraw/zinc/95/74/22/1164957422.db2.gz ARKVFLKOTNTOPQ-XVMAMZMSSA-N 1 3 301.862 2.050 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCC1(C)CC[NH+](CC2CC2)CC1 ZINC001407251550 1165066787 /nfs/dbraw/zinc/06/67/87/1165066787.db2.gz CBMWGRGDYRWDPL-QGZVFWFLSA-N 1 3 321.509 2.488 20 0 DEADHO COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[C@H]3CN(C)C[C@@H]31)C2 ZINC001414193539 1165739002 /nfs/dbraw/zinc/73/90/02/1165739002.db2.gz GPHUUFONZZLPKC-UOVPBQLFSA-N 1 3 300.446 2.482 20 0 DEADHO CC(C)C[C@@H](C)OC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001414303259 1165786940 /nfs/dbraw/zinc/78/69/40/1165786940.db2.gz VJYDGLNBQWBWQI-LSDHHAIUSA-N 1 3 301.475 2.419 20 0 DEADHO CC(C)C[C@@H](C)OC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001414303259 1165786946 /nfs/dbraw/zinc/78/69/46/1165786946.db2.gz VJYDGLNBQWBWQI-LSDHHAIUSA-N 1 3 301.475 2.419 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC(C)C)C1 ZINC001417763989 1167196051 /nfs/dbraw/zinc/19/60/51/1167196051.db2.gz JTROTDFSTRNDMW-IXDOHACOSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1Cc1csc(C)c1 ZINC001417825273 1167238098 /nfs/dbraw/zinc/23/80/98/1167238098.db2.gz NDUSZWSJLPHJCM-JKSUJKDBSA-N 1 3 323.506 2.477 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]C/C=C/Cl ZINC001417892652 1167287174 /nfs/dbraw/zinc/28/71/74/1167287174.db2.gz QMLBKRIQFSWBLD-VIGJRRFGSA-N 1 3 315.889 2.440 20 0 DEADHO O=C(CCC[NH+]1CCCC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC001417954281 1167325054 /nfs/dbraw/zinc/32/50/54/1167325054.db2.gz OQYPDQXDJOJQTH-SFHVURJKSA-N 1 3 315.461 2.253 20 0 DEADHO CCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001418174661 1167462543 /nfs/dbraw/zinc/46/25/43/1167462543.db2.gz MVZFDVBFVDBALR-ZFWWWQNUSA-N 1 3 306.454 2.277 20 0 DEADHO CCCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001418174661 1167462545 /nfs/dbraw/zinc/46/25/45/1167462545.db2.gz MVZFDVBFVDBALR-ZFWWWQNUSA-N 1 3 306.454 2.277 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1 ZINC001418220683 1167500245 /nfs/dbraw/zinc/50/02/45/1167500245.db2.gz JRPGKAOGIASTME-DOTOQJQBSA-N 1 3 303.450 2.154 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccccc1F)N(C)C ZINC001418401190 1167628646 /nfs/dbraw/zinc/62/86/46/1167628646.db2.gz GFXGNXVOPPDIEN-PBHICJAKSA-N 1 3 323.456 2.396 20 0 DEADHO C[C@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CCc1cccs1 ZINC001418413569 1167635965 /nfs/dbraw/zinc/63/59/65/1167635965.db2.gz FDXWQPUTEFVWPL-LSDHHAIUSA-N 1 3 323.506 2.117 20 0 DEADHO CC[N@H+](CCNC(=O)C1(N(C)C)CCC1)Cc1ccc(C)cc1 ZINC001418549136 1167805640 /nfs/dbraw/zinc/80/56/40/1167805640.db2.gz JJICXDYUSBELBW-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO CC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)Cc1ccc(C)cc1 ZINC001418549136 1167805642 /nfs/dbraw/zinc/80/56/42/1167805642.db2.gz JJICXDYUSBELBW-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO C[NH+](C)[C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C12CCC2 ZINC001418614182 1167843697 /nfs/dbraw/zinc/84/36/97/1167843697.db2.gz HQKZSSVTEWXYOK-GJZGRUSLSA-N 1 3 307.482 2.240 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001418670154 1167874984 /nfs/dbraw/zinc/87/49/84/1167874984.db2.gz VGBPZXHLJISLSY-MAEOIBBWSA-N 1 3 317.477 2.320 20 0 DEADHO CC[C@@H](C)C[N@H+](C)C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001418935082 1168078616 /nfs/dbraw/zinc/07/86/16/1168078616.db2.gz XVACBAFNZGERFV-HZPDHXFCSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C)C[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001418935082 1168078624 /nfs/dbraw/zinc/07/86/24/1168078624.db2.gz XVACBAFNZGERFV-HZPDHXFCSA-N 1 3 309.498 2.297 20 0 DEADHO C[NH+](C)CCC(=O)N[C@H]1CCN(CCc2ccc(Cl)cc2)C1 ZINC001419170390 1168286116 /nfs/dbraw/zinc/28/61/16/1168286116.db2.gz DGIDEAJGYBSNGP-INIZCTEOSA-N 1 3 323.868 2.025 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001419477621 1168519580 /nfs/dbraw/zinc/51/95/80/1168519580.db2.gz HGGJSDDIJATVLR-XJKSGUPXSA-N 1 3 309.429 2.008 20 0 DEADHO CC(C)N(C)CC(=O)NC1CCC([NH2+]C/C=C\Cl)CC1 ZINC001419672286 1168788848 /nfs/dbraw/zinc/78/88/48/1168788848.db2.gz KNIRMJXPHFPDPP-WTKPLQERSA-N 1 3 301.862 2.096 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001419767040 1168837827 /nfs/dbraw/zinc/83/78/27/1168837827.db2.gz FYUUXBTWFGOIJP-SWLSCSKDSA-N 1 3 311.857 2.275 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCC(F)(F)F)[C@@H](C)C1 ZINC001419831739 1168865004 /nfs/dbraw/zinc/86/50/04/1168865004.db2.gz WALHYKAORWYUKD-QWHCGFSZSA-N 1 3 323.403 2.106 20 0 DEADHO Cc1ccc(F)c(CN[C@@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001419890460 1168893753 /nfs/dbraw/zinc/89/37/53/1168893753.db2.gz BTAZRPSINWMQEH-LSDHHAIUSA-N 1 3 321.440 2.070 20 0 DEADHO Cc1ccc(F)c(CN[C@@H](C)CNC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001419890460 1168893758 /nfs/dbraw/zinc/89/37/58/1168893758.db2.gz BTAZRPSINWMQEH-LSDHHAIUSA-N 1 3 321.440 2.070 20 0 DEADHO Cc1ccc(F)c(CN[C@@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001419890458 1168893773 /nfs/dbraw/zinc/89/37/73/1168893773.db2.gz BTAZRPSINWMQEH-GJZGRUSLSA-N 1 3 321.440 2.070 20 0 DEADHO Cc1ccc(F)c(CN[C@@H](C)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001419890458 1168893775 /nfs/dbraw/zinc/89/37/75/1168893775.db2.gz BTAZRPSINWMQEH-GJZGRUSLSA-N 1 3 321.440 2.070 20 0 DEADHO CN(CC(=O)N1CC[C@H](C[NH2+]CC2CCC2)C1)CC(C)(C)C ZINC001419992664 1169042420 /nfs/dbraw/zinc/04/24/20/1169042420.db2.gz MGDZVBTYRRRMCE-MRXNPFEDSA-N 1 3 309.498 2.203 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001420500855 1169670565 /nfs/dbraw/zinc/67/05/65/1169670565.db2.gz FWHXZSAQIDKELD-YOEHRIQHSA-N 1 3 323.456 2.315 20 0 DEADHO C[C@@H](F)CC[N@H+](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001420630933 1169840200 /nfs/dbraw/zinc/84/02/00/1169840200.db2.gz HTQPSKLRRHAGGK-ZIAGYGMSSA-N 1 3 303.466 2.149 20 0 DEADHO C[C@@H](F)CC[N@@H+](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001420630933 1169840204 /nfs/dbraw/zinc/84/02/04/1169840204.db2.gz HTQPSKLRRHAGGK-ZIAGYGMSSA-N 1 3 303.466 2.149 20 0 DEADHO Cc1ccc(C)c(CN(CCNC(=O)CC[NH+](C)C)C2CC2)c1 ZINC001420690755 1169868667 /nfs/dbraw/zinc/86/86/67/1169868667.db2.gz XPYQTXVNCSBUKU-UHFFFAOYSA-N 1 3 317.477 2.336 20 0 DEADHO C[C@H](NCCN(C)C(=O)C1(C[NH+](C)C)CC1)c1ccccc1F ZINC001420721442 1171084784 /nfs/dbraw/zinc/08/47/84/1171084784.db2.gz DDHLPVLPQVJHNP-AWEZNQCLSA-N 1 3 321.440 2.277 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001420863652 1171293920 /nfs/dbraw/zinc/29/39/20/1171293920.db2.gz VHZOMCQWAFRXEO-SJORKVTESA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001420863652 1171293930 /nfs/dbraw/zinc/29/39/30/1171293930.db2.gz VHZOMCQWAFRXEO-SJORKVTESA-N 1 3 311.514 2.447 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC001421142624 1171525603 /nfs/dbraw/zinc/52/56/03/1171525603.db2.gz UMTIRIDIPUNSQZ-KRWDZBQOSA-N 1 3 321.440 2.248 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@](C)(C[NH2+]CC3CCC3)C2)CCC1 ZINC001421237141 1171623341 /nfs/dbraw/zinc/62/33/41/1171623341.db2.gz DVJLFNDFHQYRIX-QGZVFWFLSA-N 1 3 307.482 2.099 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC2CC2)C1 ZINC001421271959 1171657584 /nfs/dbraw/zinc/65/75/84/1171657584.db2.gz RQQJRXIEPRDILE-AEFFLSMTSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@](C)(C[NH2+]CC2CCCC2)C1 ZINC001421272365 1171657773 /nfs/dbraw/zinc/65/77/73/1171657773.db2.gz UMXVCJKIOOCLPL-SFHVURJKSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](C/C=C/Cl)C2 ZINC001421512994 1171828570 /nfs/dbraw/zinc/82/85/70/1171828570.db2.gz DSQISMSXCHFLOK-PINBIDLJSA-N 1 3 313.873 2.050 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C/C=C/Cl)C2 ZINC001421512994 1171828573 /nfs/dbraw/zinc/82/85/73/1171828573.db2.gz DSQISMSXCHFLOK-PINBIDLJSA-N 1 3 313.873 2.050 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CNCc1ccccc1F ZINC001421650794 1171883227 /nfs/dbraw/zinc/88/32/27/1171883227.db2.gz NWAFSHRPULQTFL-MRXNPFEDSA-N 1 3 321.440 2.248 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CNCc1ccccc1F ZINC001421650794 1171883230 /nfs/dbraw/zinc/88/32/30/1171883230.db2.gz NWAFSHRPULQTFL-MRXNPFEDSA-N 1 3 321.440 2.248 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCC1 ZINC001421808248 1172008142 /nfs/dbraw/zinc/00/81/42/1172008142.db2.gz ZSTVYLDCBPJICC-UHFFFAOYSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H](CNCc1ccccc1F)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001421939789 1172156340 /nfs/dbraw/zinc/15/63/40/1172156340.db2.gz SUTAQPFWRRIAHA-CQSZACIVSA-N 1 3 321.440 2.104 20 0 DEADHO CC(C)[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC1CCCC1 ZINC001422107158 1172307642 /nfs/dbraw/zinc/30/76/42/1172307642.db2.gz HGNIEYKDIAHYFR-WBVHZDCISA-N 1 3 309.498 2.249 20 0 DEADHO CCN(CC[NH2+][C@@H](C)c1ccccc1)C(=O)[C@@H]1CCCN1C ZINC001422432805 1172586592 /nfs/dbraw/zinc/58/65/92/1172586592.db2.gz YUILSPZWONYVFF-RDJZCZTQSA-N 1 3 303.450 2.280 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)CCc1ccc(C)cc1)N(C)C ZINC001422525710 1172675962 /nfs/dbraw/zinc/67/59/62/1172675962.db2.gz WAOQNIAUIGHTMO-SJLPKXTDSA-N 1 3 319.493 2.314 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CCc1ccc(C)cc1)N(C)C ZINC001422525710 1172675964 /nfs/dbraw/zinc/67/59/64/1172675964.db2.gz WAOQNIAUIGHTMO-SJLPKXTDSA-N 1 3 319.493 2.314 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCc1ccccc1F ZINC001422652833 1172792193 /nfs/dbraw/zinc/79/21/93/1172792193.db2.gz YSNKBGMOBGDSQO-YOEHRIQHSA-N 1 3 321.440 2.294 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCc1ccccc1F ZINC001422652833 1172792198 /nfs/dbraw/zinc/79/21/98/1172792198.db2.gz YSNKBGMOBGDSQO-YOEHRIQHSA-N 1 3 321.440 2.294 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C1C[NH+](CCc2ccccc2)C1 ZINC001422750940 1172842355 /nfs/dbraw/zinc/84/23/55/1172842355.db2.gz AGWBJOMKFCEYBK-MRXNPFEDSA-N 1 3 317.477 2.007 20 0 DEADHO Cc1cc(CN(C)C[C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)cs1 ZINC001422878576 1172893767 /nfs/dbraw/zinc/89/37/67/1172893767.db2.gz PMMQXZRHJOQTDJ-KBPBESRZSA-N 1 3 323.506 2.335 20 0 DEADHO Cc1cc(CN(C)C[C@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)cs1 ZINC001422878576 1172893770 /nfs/dbraw/zinc/89/37/70/1172893770.db2.gz PMMQXZRHJOQTDJ-KBPBESRZSA-N 1 3 323.506 2.335 20 0 DEADHO CN(CC(=O)NCC1([NH2+]CCc2cccs2)CC1)C1CCC1 ZINC001423230636 1173173984 /nfs/dbraw/zinc/17/39/84/1173173984.db2.gz RHYOFQYEEYGSGF-UHFFFAOYSA-N 1 3 321.490 2.013 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC2CCCCC2)[C@H]1C ZINC001423322803 1173237134 /nfs/dbraw/zinc/23/71/34/1173237134.db2.gz FGHQDUPFWLZTKC-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001424038587 1173624090 /nfs/dbraw/zinc/62/40/90/1173624090.db2.gz HFMVEJMDIDHGKA-HOTGVXAUSA-N 1 3 311.514 2.304 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccccc2F)C1 ZINC001424476473 1173802633 /nfs/dbraw/zinc/80/26/33/1173802633.db2.gz CYTJFWDAXRCNHD-PBHICJAKSA-N 1 3 321.440 2.102 20 0 DEADHO C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)[N@H+](C)CC1CCC1 ZINC001425022853 1174120482 /nfs/dbraw/zinc/12/04/82/1174120482.db2.gz GFFRHYSSBVNTSS-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)[N@@H+](C)CC1CCC1 ZINC001425022853 1174120489 /nfs/dbraw/zinc/12/04/89/1174120489.db2.gz GFFRHYSSBVNTSS-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C)C[NH+]1CC([C@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001425242915 1174256481 /nfs/dbraw/zinc/25/64/81/1174256481.db2.gz RNKJDVUCBUOSCD-CABCVRRESA-N 1 3 309.498 2.343 20 0 DEADHO Cc1ccc(C)c(C[NH2+][C@@H](C)CN(C)C(=O)Cc2c[nH]cn2)c1 ZINC001425640556 1174426314 /nfs/dbraw/zinc/42/63/14/1174426314.db2.gz QEETURFREFNCMH-HNNXBMFYSA-N 1 3 314.433 2.206 20 0 DEADHO C[C@@H]1[C@H]([NH2+]C/C=C/Cl)CCN1C(=O)CN(C)CC(C)(C)C ZINC001425888883 1174499978 /nfs/dbraw/zinc/49/99/78/1174499978.db2.gz PZGWJFZLHIFYCG-RTIZMKJZSA-N 1 3 315.889 2.296 20 0 DEADHO CC[C@H](C)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC001425950075 1174531881 /nfs/dbraw/zinc/53/18/81/1174531881.db2.gz CVQUZCFWCLSJEW-GOEBONIOSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C1CC[NH+](C[C@@H](F)CC)CC1 ZINC001426175016 1174630435 /nfs/dbraw/zinc/63/04/35/1174630435.db2.gz BHKOCQXXXOELTH-ZBFHGGJFSA-N 1 3 315.477 2.293 20 0 DEADHO CO[C@@H](CC[NH2+]Cc1cc2c(s1)CCNC2)C(F)(F)F ZINC001578900270 1177067032 /nfs/dbraw/zinc/06/70/32/1177067032.db2.gz DJXWCXBKCZOQKH-LBPRGKRZSA-N 1 3 308.369 2.451 20 0 DEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1(N(C)C)CCCC1 ZINC001433662202 1177918714 /nfs/dbraw/zinc/91/87/14/1177918714.db2.gz FZWBXDKNRZAJGV-OWCLPIDISA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1(N(C)C)CCCC1 ZINC001433662202 1177918729 /nfs/dbraw/zinc/91/87/29/1177918729.db2.gz FZWBXDKNRZAJGV-OWCLPIDISA-N 1 3 309.498 2.343 20 0 DEADHO Cc1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)ccc1-n1cncn1 ZINC001434499379 1178681012 /nfs/dbraw/zinc/68/10/12/1178681012.db2.gz LTSYKQZDUDXXHI-INIZCTEOSA-N 1 3 311.433 2.150 20 0 DEADHO CCCN(CC[NH+](CC)CC)C(=O)NC[C@H]1CCCCN1C ZINC001434837174 1178889673 /nfs/dbraw/zinc/88/96/73/1178889673.db2.gz GVKSNNPPELAOMG-MRXNPFEDSA-N 1 3 312.502 2.234 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC(C)C2)C1 ZINC001436421609 1179090036 /nfs/dbraw/zinc/09/00/36/1179090036.db2.gz MTTLJNMCQKSBMC-ODZFXCKXSA-N 1 3 309.498 2.249 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCc1ccccc1 ZINC001437135789 1179466914 /nfs/dbraw/zinc/46/69/14/1179466914.db2.gz UMDRYZJQRXWNIB-WMZOPIPTSA-N 1 3 317.477 2.196 20 0 DEADHO COc1cccc([C@H](C)[N@H+](C)CCNC(=O)CN(C)C(C)C)c1 ZINC001437570746 1179849074 /nfs/dbraw/zinc/84/90/74/1179849074.db2.gz RMZPSNLPLOLJTJ-HNNXBMFYSA-N 1 3 321.465 2.144 20 0 DEADHO COc1cccc([C@H](C)[N@@H+](C)CCNC(=O)CN(C)C(C)C)c1 ZINC001437570746 1179849076 /nfs/dbraw/zinc/84/90/76/1179849076.db2.gz RMZPSNLPLOLJTJ-HNNXBMFYSA-N 1 3 321.465 2.144 20 0 DEADHO C[C@H]([NH2+]CCC1CC1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001437857253 1180032190 /nfs/dbraw/zinc/03/21/90/1180032190.db2.gz PPXRJYMOIBEQGA-HNNXBMFYSA-N 1 3 307.482 2.099 20 0 DEADHO CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001438733245 1180800823 /nfs/dbraw/zinc/80/08/23/1180800823.db2.gz JOWMKEDVJZHXHP-RHSMWYFYSA-N 1 3 315.477 2.339 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[N@H+](C)CCC1CCCC1 ZINC001439402365 1181074949 /nfs/dbraw/zinc/07/49/49/1181074949.db2.gz QVNMUAQXVKXPIM-ZDUSSCGKSA-N 1 3 306.454 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[N@@H+](C)CCC1CCCC1 ZINC001439402365 1181074957 /nfs/dbraw/zinc/07/49/57/1181074957.db2.gz QVNMUAQXVKXPIM-ZDUSSCGKSA-N 1 3 306.454 2.277 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CCN1CCC1CC1)[NH+]1CCCCC1 ZINC001439572018 1181151519 /nfs/dbraw/zinc/15/15/19/1181151519.db2.gz MSCVPNLXAYJOFJ-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CCC(CC)C[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001440301995 1181435858 /nfs/dbraw/zinc/43/58/58/1181435858.db2.gz HRNFRMNSYCFURM-BHYGNILZSA-N 1 3 309.498 2.249 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@H](C)CC)C1 ZINC001440342117 1181456526 /nfs/dbraw/zinc/45/65/26/1181456526.db2.gz NNJXWKQIAGWOOJ-VQHPVUNQSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H](F)CC[N@H+](C)C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001440734195 1181663075 /nfs/dbraw/zinc/66/30/75/1181663075.db2.gz PFBXZDAGVXBZAX-ZBFHGGJFSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@@H](F)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001440734195 1181663084 /nfs/dbraw/zinc/66/30/84/1181663084.db2.gz PFBXZDAGVXBZAX-ZBFHGGJFSA-N 1 3 313.461 2.142 20 0 DEADHO CC(C)C[NH2+]CC1CC(NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001440751962 1181673791 /nfs/dbraw/zinc/67/37/91/1181673791.db2.gz IZYZNJIKZFBGIH-UHFFFAOYSA-N 1 3 309.498 2.391 20 0 DEADHO CCc1cccc(CN(C)[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001441014569 1181826318 /nfs/dbraw/zinc/82/63/18/1181826318.db2.gz SOUYMOPTRRZTJA-CRAIPNDOSA-N 1 3 317.477 2.137 20 0 DEADHO CCc1cccc(CN(C)[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001441014569 1181826322 /nfs/dbraw/zinc/82/63/22/1181826322.db2.gz SOUYMOPTRRZTJA-CRAIPNDOSA-N 1 3 317.477 2.137 20 0 DEADHO CC[C@@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001441329633 1181946597 /nfs/dbraw/zinc/94/65/97/1181946597.db2.gz ZEAYDXGVIYBPPA-OAGGEKHMSA-N 1 3 307.482 2.050 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@H+](CCC3CC3)CC[C@H]21 ZINC001441468967 1182009270 /nfs/dbraw/zinc/00/92/70/1182009270.db2.gz FMQQOTMFQGTOLR-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@@H+](CCC3CC3)CC[C@H]21 ZINC001441468967 1182009273 /nfs/dbraw/zinc/00/92/73/1182009273.db2.gz FMQQOTMFQGTOLR-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C[C@H](C)NCc1ccccc1F)[NH+](C)C ZINC001441591560 1182078511 /nfs/dbraw/zinc/07/85/11/1182078511.db2.gz HFUMXVOYCPODEP-WMLDXEAASA-N 1 3 323.456 2.348 20 0 DEADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)[C@@H]2C)cc1 ZINC001441819842 1182175610 /nfs/dbraw/zinc/17/56/10/1182175610.db2.gz NGNFDAGFYWYUSV-SJLPKXTDSA-N 1 3 317.477 2.414 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CNC(=O)CN(C)C2CCC2)cc1C ZINC001441842153 1182210115 /nfs/dbraw/zinc/21/01/15/1182210115.db2.gz NLRADUDEJMGCMX-INIZCTEOSA-N 1 3 317.477 2.382 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](C)Cc1cccc(C)c1 ZINC001442617217 1182574364 /nfs/dbraw/zinc/57/43/64/1182574364.db2.gz ICCPJRRVIICZPV-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](C)Cc1cccc(C)c1 ZINC001442617217 1182574373 /nfs/dbraw/zinc/57/43/73/1182574373.db2.gz ICCPJRRVIICZPV-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1C(C)C)N1CCCCC1 ZINC001442850565 1182744583 /nfs/dbraw/zinc/74/45/83/1182744583.db2.gz SVFWDFNZPVKAMX-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1C(C)C)N1CCCCC1 ZINC001442850565 1182744590 /nfs/dbraw/zinc/74/45/90/1182744590.db2.gz SVFWDFNZPVKAMX-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CCC[N@@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001442869667 1182758137 /nfs/dbraw/zinc/75/81/37/1182758137.db2.gz VIRKIVRESJHRBM-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)CCC[N@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001442869667 1182758140 /nfs/dbraw/zinc/75/81/40/1182758140.db2.gz VIRKIVRESJHRBM-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001444831495 1183580579 /nfs/dbraw/zinc/58/05/79/1183580579.db2.gz WMGJAABGQTUGOR-WBVHZDCISA-N 1 3 309.498 2.343 20 0 DEADHO C[N@H+](CCC1CC1)CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001444838628 1183584344 /nfs/dbraw/zinc/58/43/44/1183584344.db2.gz MZGKGJSSCBPMEN-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO C[N@@H+](CCC1CC1)CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001444838628 1183584361 /nfs/dbraw/zinc/58/43/61/1183584361.db2.gz MZGKGJSSCBPMEN-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC2CCC2)C1 ZINC001445127762 1183788085 /nfs/dbraw/zinc/78/80/85/1183788085.db2.gz LFKVUMSQOXBTTR-DLBZAZTESA-N 1 3 307.482 2.051 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC2CCC2)C1 ZINC001445127762 1183788092 /nfs/dbraw/zinc/78/80/92/1183788092.db2.gz LFKVUMSQOXBTTR-DLBZAZTESA-N 1 3 307.482 2.051 20 0 DEADHO Cc1ccc(F)c(CNC[C@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001445607711 1183932766 /nfs/dbraw/zinc/93/27/66/1183932766.db2.gz AQXGZUSUDBYOHO-AWEZNQCLSA-N 1 3 321.440 2.070 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]Cc1cc(F)ccc1C ZINC001445641148 1183947610 /nfs/dbraw/zinc/94/76/10/1183947610.db2.gz DNELOSLQAAUBCT-AWEZNQCLSA-N 1 3 309.429 2.070 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CCC1)C1CC1 ZINC001445946931 1184142923 /nfs/dbraw/zinc/14/29/23/1184142923.db2.gz DMPJYUFMTPDDFR-IRXDYDNUSA-N 1 3 307.482 2.145 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC1CC1)C2 ZINC001446329672 1184311089 /nfs/dbraw/zinc/31/10/89/1184311089.db2.gz JUQBVSJHWAOWNC-IBGZPJMESA-N 1 3 321.509 2.443 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC1CC1)C2 ZINC001446329672 1184311097 /nfs/dbraw/zinc/31/10/97/1184311097.db2.gz JUQBVSJHWAOWNC-IBGZPJMESA-N 1 3 321.509 2.443 20 0 DEADHO C[NH+](C)CCC(=O)N1CC[C@@]2(CCN(Cc3ccsc3)C2)C1 ZINC001446364460 1184322514 /nfs/dbraw/zinc/32/25/14/1184322514.db2.gz VNZOLMKRZWWXOT-QGZVFWFLSA-N 1 3 321.490 2.124 20 0 DEADHO CC[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccccc1)N(C)C ZINC001447369940 1184747316 /nfs/dbraw/zinc/74/73/16/1184747316.db2.gz DYNJVWFROGONRD-QGZVFWFLSA-N 1 3 305.466 2.307 20 0 DEADHO CC[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccccc1)N(C)C ZINC001447369940 1184747319 /nfs/dbraw/zinc/74/73/19/1184747319.db2.gz DYNJVWFROGONRD-QGZVFWFLSA-N 1 3 305.466 2.307 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001447436476 1184774538 /nfs/dbraw/zinc/77/45/38/1184774538.db2.gz CXOAYLPHERVTMZ-SFHVURJKSA-N 1 3 307.482 2.053 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001447436476 1184774543 /nfs/dbraw/zinc/77/45/43/1184774543.db2.gz CXOAYLPHERVTMZ-SFHVURJKSA-N 1 3 307.482 2.053 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001447436475 1184774854 /nfs/dbraw/zinc/77/48/54/1184774854.db2.gz CXOAYLPHERVTMZ-GOSISDBHSA-N 1 3 307.482 2.053 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001447436475 1184774859 /nfs/dbraw/zinc/77/48/59/1184774859.db2.gz CXOAYLPHERVTMZ-GOSISDBHSA-N 1 3 307.482 2.053 20 0 DEADHO CC(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@@H]2C1 ZINC001448430462 1185223063 /nfs/dbraw/zinc/22/30/63/1185223063.db2.gz ALYSSZLWLNTXOV-OSYLJGHBSA-N 1 3 323.525 2.304 20 0 DEADHO CC(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@@H]2C1 ZINC001448430462 1185223071 /nfs/dbraw/zinc/22/30/71/1185223071.db2.gz ALYSSZLWLNTXOV-OSYLJGHBSA-N 1 3 323.525 2.304 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001370709995 1149828622 /nfs/dbraw/zinc/82/86/22/1149828622.db2.gz GIQZBQHSQCVVEP-HDICACEKSA-N 1 3 317.477 2.382 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC2(C1)CC[N@H+](CC1CC(C)C1)C2)N(C)C ZINC001072832496 790265264 /nfs/dbraw/zinc/26/52/64/790265264.db2.gz NEYFVFKLSTWFHF-JCYILVPMSA-N 1 3 321.509 2.153 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CC1CC(C)C1)C2)N(C)C ZINC001072832496 790265267 /nfs/dbraw/zinc/26/52/67/790265267.db2.gz NEYFVFKLSTWFHF-JCYILVPMSA-N 1 3 321.509 2.153 20 0 DEADHO CC1CC(C[N@H+](C)C[C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001089233368 782298650 /nfs/dbraw/zinc/29/86/50/782298650.db2.gz KTOLOFVISRFXJG-DQPZFDDXSA-N 1 3 318.465 2.311 20 0 DEADHO CC1CC(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001089233368 782298657 /nfs/dbraw/zinc/29/86/57/782298657.db2.gz KTOLOFVISRFXJG-DQPZFDDXSA-N 1 3 318.465 2.311 20 0 DEADHO CC(C)(C(=O)N[C@H]1CC[C@@H](C[NH2+]CCCF)C1)N1CCCC1 ZINC001332293612 1149845227 /nfs/dbraw/zinc/84/52/27/1149845227.db2.gz RHNQFDSSLHEIMB-CABCVRRESA-N 1 3 313.461 2.095 20 0 DEADHO CC(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001072952852 790324702 /nfs/dbraw/zinc/32/47/02/790324702.db2.gz ATNMGFBFZNZXHI-MRXNPFEDSA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001072952852 790324715 /nfs/dbraw/zinc/32/47/15/790324715.db2.gz ATNMGFBFZNZXHI-MRXNPFEDSA-N 1 3 309.498 2.153 20 0 DEADHO CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249797 782571697 /nfs/dbraw/zinc/57/16/97/782571697.db2.gz QJQYAUPUWKAVKB-RKUQWRNASA-N 1 3 321.509 2.367 20 0 DEADHO CCCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106256018 782579922 /nfs/dbraw/zinc/57/99/22/782579922.db2.gz UFOHXMOWDSKFFT-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCCCCF)[C@H](C)C1)N(C)C ZINC001106312342 782648156 /nfs/dbraw/zinc/64/81/56/782648156.db2.gz CVQMGDMDSGQPOP-BZUAXINKSA-N 1 3 315.477 2.151 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CCC2CC2)[C@H](C)C1)N(C)C ZINC001106633335 782820308 /nfs/dbraw/zinc/82/03/08/782820308.db2.gz GCNYZVAJYJFASS-DJIMGWMZSA-N 1 3 309.498 2.057 20 0 DEADHO CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001106665808 782839801 /nfs/dbraw/zinc/83/98/01/782839801.db2.gz CCFDHNAGRQFSJO-JFIYKMOQSA-N 1 3 323.525 2.449 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1C[C@H]([NH2+]CCC(C)C)C12CCC2 ZINC001203522362 782947257 /nfs/dbraw/zinc/94/72/57/782947257.db2.gz NLUJIJWNHICVTF-JKSUJKDBSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1=CC[N@H+](CC2CCC2)CC1 ZINC001333457698 1150052508 /nfs/dbraw/zinc/05/25/08/1150052508.db2.gz LDFPGLNOAIYWBN-HOTGVXAUSA-N 1 3 319.493 2.408 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1=CC[N@@H+](CC2CCC2)CC1 ZINC001333457698 1150052511 /nfs/dbraw/zinc/05/25/11/1150052511.db2.gz LDFPGLNOAIYWBN-HOTGVXAUSA-N 1 3 319.493 2.408 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](C(C)C)C2 ZINC001073035707 790408840 /nfs/dbraw/zinc/40/88/40/790408840.db2.gz PEVSTXFRNNXBLX-INIZCTEOSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](C(C)C)C2 ZINC001073035707 790408847 /nfs/dbraw/zinc/40/88/47/790408847.db2.gz PEVSTXFRNNXBLX-INIZCTEOSA-N 1 3 307.482 2.192 20 0 DEADHO CC[NH2+]C[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC001075366748 776743617 /nfs/dbraw/zinc/74/36/17/776743617.db2.gz IIQNLLIGHDXUEN-JKSUJKDBSA-N 1 3 317.477 2.456 20 0 DEADHO CC[C@@H](F)C[NH2+]CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001167626470 777405471 /nfs/dbraw/zinc/40/54/71/777405471.db2.gz CCFNJPHYUWCOCJ-CABCVRRESA-N 1 3 301.450 2.093 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+]C/C=C/Cl ZINC001167633450 777410731 /nfs/dbraw/zinc/41/07/31/777410731.db2.gz CMZJUFBJZXVHBN-GPAKFWEMSA-N 1 3 301.862 2.098 20 0 DEADHO CC/C=C/CC[NH2+]C1CC(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001100678310 777688654 /nfs/dbraw/zinc/68/86/54/777688654.db2.gz HBGZATLBAQQHFT-FMZFJBBLSA-N 1 3 307.482 2.169 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC[C@H](C)F)C1 ZINC001104938330 778265423 /nfs/dbraw/zinc/26/54/23/778265423.db2.gz UFOHNASTNDUMHO-OWCLPIDISA-N 1 3 315.477 2.151 20 0 DEADHO CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001112529661 778606163 /nfs/dbraw/zinc/60/61/63/778606163.db2.gz JOONWGROOBHHDM-BQFCYCMXSA-N 1 3 307.482 2.099 20 0 DEADHO CCCN(C)CC(=O)NCCC1(C[NH2+]CC2CCCC2)CC1 ZINC001167815147 778654936 /nfs/dbraw/zinc/65/49/36/778654936.db2.gz PMYTXGZQMCJAPF-UHFFFAOYSA-N 1 3 309.498 2.395 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC1(C[NH2+]CCC(C)C)CC1 ZINC001167901432 778766073 /nfs/dbraw/zinc/76/60/73/778766073.db2.gz VBBFUVWMBRUOPU-UHFFFAOYSA-N 1 3 306.454 2.183 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCC1CC([NH2+]CCC(C)C)C1 ZINC001100383073 778788477 /nfs/dbraw/zinc/78/84/77/778788477.db2.gz JTROTDFSTRNDMW-OFLPRAFFSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C1 ZINC001087995011 779621782 /nfs/dbraw/zinc/62/17/82/779621782.db2.gz NYJXOMRRKPBQCR-SJORKVTESA-N 1 3 319.493 2.217 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C1 ZINC001087995011 779621785 /nfs/dbraw/zinc/62/17/85/779621785.db2.gz NYJXOMRRKPBQCR-SJORKVTESA-N 1 3 319.493 2.217 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001088129877 779718359 /nfs/dbraw/zinc/71/83/59/779718359.db2.gz LDDJPOBODFRBER-SQNIBIBYSA-N 1 3 321.509 2.440 20 0 DEADHO CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001088129877 779718366 /nfs/dbraw/zinc/71/83/66/779718366.db2.gz LDDJPOBODFRBER-SQNIBIBYSA-N 1 3 321.509 2.440 20 0 DEADHO CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@@H]2C1 ZINC001088210889 779773902 /nfs/dbraw/zinc/77/39/02/779773902.db2.gz GTWJAXUQOBXMMT-WBVHZDCISA-N 1 3 315.461 2.162 20 0 DEADHO CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@@H]2C1 ZINC001088210889 779773909 /nfs/dbraw/zinc/77/39/09/779773909.db2.gz GTWJAXUQOBXMMT-WBVHZDCISA-N 1 3 315.461 2.162 20 0 DEADHO CC1(C)CCN(CC(=O)N2CCCCC[C@@H]([NH2+]CCF)C2)C1 ZINC001088380664 780047283 /nfs/dbraw/zinc/04/72/83/780047283.db2.gz MVZYGGWPAKEIOT-OAHLLOKOSA-N 1 3 313.461 2.049 20 0 DEADHO CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001105438896 780322790 /nfs/dbraw/zinc/32/27/90/780322790.db2.gz QRNSYHWJFDORRI-JENIJYKNSA-N 1 3 317.477 2.153 20 0 DEADHO c1cc2c(cc1C[NH2+]C1CCN(CC3CC3)CC1)OCCO2 ZINC001168351368 780871562 /nfs/dbraw/zinc/87/15/62/780871562.db2.gz QZHKDUOALMWABX-UHFFFAOYSA-N 1 3 302.418 2.422 20 0 DEADHO C[C@H](CCN[C@H]1CCN(C(=O)OCc2ccccc2)C1)[NH+](C)C ZINC000697839242 780950323 /nfs/dbraw/zinc/95/03/23/780950323.db2.gz ROROEVQIZHSUAX-WBVHZDCISA-N 1 3 319.449 2.327 20 0 DEADHO O=C(NCC[NH2+]C1CCN(CC2CC2)CC1)Nc1ccccc1 ZINC001168360582 780965941 /nfs/dbraw/zinc/96/59/41/780965941.db2.gz TUAGWBXINMPPSL-UHFFFAOYSA-N 1 3 316.449 2.272 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CCC2CC2)[C@@H](C)C1 ZINC000947979869 783284124 /nfs/dbraw/zinc/28/41/24/783284124.db2.gz MINPNWCLVUCBQD-SWLSCSKDSA-N 1 3 304.438 2.030 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CCC2CC2)[C@@H](C)C1 ZINC000947979869 783284133 /nfs/dbraw/zinc/28/41/33/783284133.db2.gz MINPNWCLVUCBQD-SWLSCSKDSA-N 1 3 304.438 2.030 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCF)N1CCCCC1 ZINC001085198442 783560890 /nfs/dbraw/zinc/56/08/90/783560890.db2.gz VAZWMSIHJFKKOD-HUUCEWRRSA-N 1 3 313.461 2.237 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NCCF)CC1 ZINC001085380951 783663578 /nfs/dbraw/zinc/66/35/78/783663578.db2.gz ZZMMWJAKLWQRMA-HZPDHXFCSA-N 1 3 313.461 2.093 20 0 DEADHO CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001085432203 783680299 /nfs/dbraw/zinc/68/02/99/783680299.db2.gz NJTXNMAJGOSNQU-IAGOWNOFSA-N 1 3 303.450 2.399 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1CCC1CC1 ZINC001085687872 783967525 /nfs/dbraw/zinc/96/75/25/783967525.db2.gz XAZQVXONPPQABN-ZWKOTPCHSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1CCC1CC1 ZINC001085687872 783967528 /nfs/dbraw/zinc/96/75/28/783967528.db2.gz XAZQVXONPPQABN-ZWKOTPCHSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)N1CC[C@H]1CN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001085742099 784028274 /nfs/dbraw/zinc/02/82/74/784028274.db2.gz ISMBKKREHMFRII-KRWDZBQOSA-N 1 3 317.477 2.345 20 0 DEADHO CN(C[C@@H]1CCN1CC1=CCCCC1)C(=O)C1CC[NH+](C)CC1 ZINC001085799007 784096362 /nfs/dbraw/zinc/09/63/62/784096362.db2.gz GUMIKQCUCIUELN-SFHVURJKSA-N 1 3 319.493 2.361 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CC3)C2)c1 ZINC001086278152 784540305 /nfs/dbraw/zinc/54/03/05/784540305.db2.gz JLNFBLZOFAYXIT-MAEOIBBWSA-N 1 3 315.461 2.256 20 0 DEADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)cs1 ZINC000968912783 784647537 /nfs/dbraw/zinc/64/75/37/784647537.db2.gz RQQQBTRFBANDSO-CVEARBPZSA-N 1 3 321.490 2.087 20 0 DEADHO CC1CCN(CC(=O)N2CCCC[C@@H]2C[N@H+](C)CC2CC2)CC1 ZINC001074086249 791047329 /nfs/dbraw/zinc/04/73/29/791047329.db2.gz UUMVMCLOXWFBGF-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CC1CCN(CC(=O)N2CCCC[C@@H]2C[N@@H+](C)CC2CC2)CC1 ZINC001074086249 791047340 /nfs/dbraw/zinc/04/73/40/791047340.db2.gz UUMVMCLOXWFBGF-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2cccc(C)c2)C1)N(C)C ZINC000969074908 784716327 /nfs/dbraw/zinc/71/63/27/784716327.db2.gz ZIISJRZKYIVMDY-IAGOWNOFSA-N 1 3 303.450 2.026 20 0 DEADHO CC[N@H+]1C[C@H]2CN([C@@H]3C[C@H](C)N(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC001168879325 784954497 /nfs/dbraw/zinc/95/44/97/784954497.db2.gz HAMRCJOONMCZNI-CAOSSQGBSA-N 1 3 323.481 2.268 20 0 DEADHO CC[N@@H+]1C[C@H]2CN([C@@H]3C[C@H](C)N(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC001168879325 784954503 /nfs/dbraw/zinc/95/45/03/784954503.db2.gz HAMRCJOONMCZNI-CAOSSQGBSA-N 1 3 323.481 2.268 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(OC3COC3)c1)C2 ZINC001169099978 785034712 /nfs/dbraw/zinc/03/47/12/785034712.db2.gz YGKSKDSCSXLRCX-MUJYYYPQSA-N 1 3 302.418 2.179 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1CN(c3ccccc3)CCO1)C2 ZINC001169111911 785056969 /nfs/dbraw/zinc/05/69/69/785056969.db2.gz QVVFOYGZHSIUAN-OQIJWPOYSA-N 1 3 315.461 2.107 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001008052395 785091728 /nfs/dbraw/zinc/09/17/28/785091728.db2.gz LBYNEWONXXQIKP-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001008052395 785091740 /nfs/dbraw/zinc/09/17/40/785091740.db2.gz LBYNEWONXXQIKP-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)C1(C(=O)NCC[NH2+]Cc2ccc(Cl)cc2)CCC1 ZINC001129356166 785491166 /nfs/dbraw/zinc/49/11/66/785491166.db2.gz CSQDULGTTIZEQB-UHFFFAOYSA-N 1 3 309.841 2.030 20 0 DEADHO CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)CC1)C2 ZINC001108784288 785538449 /nfs/dbraw/zinc/53/84/49/785538449.db2.gz OSUHZQSXASKJOZ-BZSNNMDCSA-N 1 3 321.509 2.488 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(C)C1 ZINC001109464209 785888206 /nfs/dbraw/zinc/88/82/06/785888206.db2.gz QPZTVGAGHCBVPS-JWRYVHENSA-N 1 3 321.509 2.484 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(C)C1 ZINC001109464209 785888211 /nfs/dbraw/zinc/88/82/11/785888211.db2.gz QPZTVGAGHCBVPS-JWRYVHENSA-N 1 3 321.509 2.484 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCF)[NH+](CC)CC ZINC001109714769 785995090 /nfs/dbraw/zinc/99/50/90/785995090.db2.gz VYDRXHJKAMIOOV-QXSJWSMHSA-N 1 3 313.461 2.188 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(C)C)N(CC)CC ZINC001109714511 785996455 /nfs/dbraw/zinc/99/64/55/785996455.db2.gz NGUORNZLQSAKMZ-QZWWFDLISA-N 1 3 309.498 2.484 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(C)C)N(CC)CC ZINC001109714511 785996460 /nfs/dbraw/zinc/99/64/60/785996460.db2.gz NGUORNZLQSAKMZ-QZWWFDLISA-N 1 3 309.498 2.484 20 0 DEADHO CCC[NH2+][C@H]1C[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001086558369 786221011 /nfs/dbraw/zinc/22/10/11/786221011.db2.gz HZICNYGNJMTDNL-KOMQPUFPSA-N 1 3 303.450 2.256 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001014631051 786668401 /nfs/dbraw/zinc/66/84/01/786668401.db2.gz ODAXBFNLJJOELV-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001014631051 786668408 /nfs/dbraw/zinc/66/84/08/786668408.db2.gz ODAXBFNLJJOELV-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001114263429 787191061 /nfs/dbraw/zinc/19/10/61/787191061.db2.gz VIBGCMMTSODMIV-JUVDXXQXSA-N 1 3 319.493 2.262 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001114263429 787191065 /nfs/dbraw/zinc/19/10/65/787191065.db2.gz VIBGCMMTSODMIV-JUVDXXQXSA-N 1 3 319.493 2.262 20 0 DEADHO C[C@H]([NH2+]CCNC(=O)[C@H](C1CC1)N(C)C)c1cccc(Cl)c1 ZINC001129437350 787213023 /nfs/dbraw/zinc/21/30/23/787213023.db2.gz ZFMPNNBZKUJYBG-LRDDRELGSA-N 1 3 323.868 2.447 20 0 DEADHO CC(C)c1ccccc1C[NH2+]CCNC(=O)[C@H](C1CC1)N(C)C ZINC001129444008 787215594 /nfs/dbraw/zinc/21/55/94/787215594.db2.gz OCOWCLGCZLRORU-SFHVURJKSA-N 1 3 317.477 2.356 20 0 DEADHO CN(C)[C@@H](C(=O)NCC[NH2+]Cc1ccccc1C1CC1)C1CC1 ZINC001129443466 787215691 /nfs/dbraw/zinc/21/56/91/787215691.db2.gz KINZLAYJDNNALZ-GOSISDBHSA-N 1 3 315.461 2.110 20 0 DEADHO CCOC(=O)C1=C(Nc2cccc(C3=[NH+]CCC3)c2)CCNC1 ZINC001170520090 787492019 /nfs/dbraw/zinc/49/20/19/787492019.db2.gz CGXMJLFBJCXPKB-UHFFFAOYSA-N 1 3 313.401 2.492 20 0 DEADHO C[C@H](Nc1ccc([C@@H]2CCCC[N@@H+]2C)cn1)[C@H]1CNCCO1 ZINC001170574752 787667237 /nfs/dbraw/zinc/66/72/37/787667237.db2.gz WPPIQKVQZFBRJE-CWRNSKLLSA-N 1 3 304.438 2.027 20 0 DEADHO C[C@H](Nc1ccc([C@@H]2CCCC[N@H+]2C)cn1)[C@H]1CNCCO1 ZINC001170574752 787667241 /nfs/dbraw/zinc/66/72/41/787667241.db2.gz WPPIQKVQZFBRJE-CWRNSKLLSA-N 1 3 304.438 2.027 20 0 DEADHO Cc1ccc(CN2C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]2C)cc1 ZINC001132274491 788006419 /nfs/dbraw/zinc/00/64/19/788006419.db2.gz VECLMXQZISSYQS-FUHWJXTLSA-N 1 3 317.477 2.416 20 0 DEADHO CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001097581343 788140791 /nfs/dbraw/zinc/14/07/91/788140791.db2.gz WXRLJOUNKBWCEI-NXHRZFHOSA-N 1 3 315.461 2.146 20 0 DEADHO CCCC[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1C ZINC001132894224 788221083 /nfs/dbraw/zinc/22/10/83/788221083.db2.gz ZHOPMKFYKOYQRD-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CCC[NH2+]C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1C ZINC001133120797 788286630 /nfs/dbraw/zinc/28/66/30/788286630.db2.gz BEWAOYXCHZADMD-HOTGVXAUSA-N 1 3 311.514 2.449 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1C ZINC001133120963 788287792 /nfs/dbraw/zinc/28/77/92/788287792.db2.gz CRFXEZAZNKOYOZ-SJORKVTESA-N 1 3 323.525 2.449 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCC2CC2)C1 ZINC001133177290 788307680 /nfs/dbraw/zinc/30/76/80/788307680.db2.gz DFPSWOXUNOVTKC-DOTOQJQBSA-N 1 3 309.498 2.203 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)CN1CCC[C@H]1C ZINC001133819612 788618793 /nfs/dbraw/zinc/61/87/93/788618793.db2.gz IZICVGDARROAAC-HZPDHXFCSA-N 1 3 303.450 2.246 20 0 DEADHO C[C@H]([NH2+]CCNC(=O)CN1CC[C@@H](C)C1)c1ccc(Cl)cc1 ZINC001133851152 788632419 /nfs/dbraw/zinc/63/24/19/788632419.db2.gz XVMLPAUIDGGKKZ-KGLIPLIRSA-N 1 3 323.868 2.449 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001133846023 788638072 /nfs/dbraw/zinc/63/80/72/788638072.db2.gz RVOMENIUCMDOKN-OAHLLOKOSA-N 1 3 307.482 2.004 20 0 DEADHO CCCCCCN(C)CC(=O)NCC[NH2+]Cc1cncc(C)c1 ZINC001135437761 789342690 /nfs/dbraw/zinc/34/26/90/789342690.db2.gz WXSMDLCPYRHEMN-UHFFFAOYSA-N 1 3 320.481 2.108 20 0 DEADHO Cc1nocc1CN[C@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001135967324 789577672 /nfs/dbraw/zinc/57/76/72/789577672.db2.gz UQAIQUWVFUYPIK-KGLIPLIRSA-N 1 3 324.469 2.088 20 0 DEADHO CCCCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)CCC ZINC001135979284 789581476 /nfs/dbraw/zinc/58/14/76/789581476.db2.gz DQWLPXZZOUDWAQ-JKSUJKDBSA-N 1 3 315.502 2.018 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cncc(C)c1 ZINC001135976953 789587203 /nfs/dbraw/zinc/58/72/03/789587203.db2.gz OOARYIOCPPGTIN-JKSUJKDBSA-N 1 3 320.481 2.105 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1 ZINC001135977501 789587417 /nfs/dbraw/zinc/58/74/17/789587417.db2.gz UKTPHWYXQPYODH-CVEARBPZSA-N 1 3 305.466 2.401 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ncccc1C ZINC001135976258 789587619 /nfs/dbraw/zinc/58/76/19/789587619.db2.gz IKQSISZGFIYZQV-JKSUJKDBSA-N 1 3 320.481 2.105 20 0 DEADHO CC(C)[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1C ZINC001072366056 790125069 /nfs/dbraw/zinc/12/50/69/790125069.db2.gz UZFHFGYKUPFLHP-JKSUJKDBSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001072812271 790255911 /nfs/dbraw/zinc/25/59/11/790255911.db2.gz YSLPSRSYFYIEIF-HNNXBMFYSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@H](C)C[N@H+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001072812271 790255915 /nfs/dbraw/zinc/25/59/15/790255915.db2.gz YSLPSRSYFYIEIF-HNNXBMFYSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCCCF ZINC001146590965 791318070 /nfs/dbraw/zinc/31/80/70/791318070.db2.gz FFTQHVGLNGNFTL-HUUCEWRRSA-N 1 3 303.466 2.339 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2)[C@@H]1C)N(C)C ZINC001074885808 791369285 /nfs/dbraw/zinc/36/92/85/791369285.db2.gz YCXQGDQQMAFBDJ-JQFCIGGWSA-N 1 3 321.440 2.245 20 0 DEADHO CCCCC[N@@H+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001147731028 791597873 /nfs/dbraw/zinc/59/78/73/791597873.db2.gz BNEHJMSNEGDNOO-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CCCCC[N@H+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001147731028 791597881 /nfs/dbraw/zinc/59/78/81/791597881.db2.gz BNEHJMSNEGDNOO-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001147724250 791606117 /nfs/dbraw/zinc/60/61/17/791606117.db2.gz IPWTZJLYCXIKTF-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CCCCCC[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001147724250 791606125 /nfs/dbraw/zinc/60/61/25/791606125.db2.gz IPWTZJLYCXIKTF-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)C[C@]2(C)C1 ZINC001091666854 791637722 /nfs/dbraw/zinc/63/77/22/791637722.db2.gz ISFLQAIDHBUUDC-LMMKCTJWSA-N 1 3 321.509 2.440 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)C[C@]2(C)C1 ZINC001091666854 791637725 /nfs/dbraw/zinc/63/77/25/791637725.db2.gz ISFLQAIDHBUUDC-LMMKCTJWSA-N 1 3 321.509 2.440 20 0 DEADHO CCCCCC[N@@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001148351920 791735667 /nfs/dbraw/zinc/73/56/67/791735667.db2.gz SMNVEIKKCLOLRV-UHFFFAOYSA-N 1 3 304.438 2.067 20 0 DEADHO CCCCCC[N@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001148351920 791735671 /nfs/dbraw/zinc/73/56/71/791735671.db2.gz SMNVEIKKCLOLRV-UHFFFAOYSA-N 1 3 304.438 2.067 20 0 DEADHO CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC001086908374 791845836 /nfs/dbraw/zinc/84/58/36/791845836.db2.gz ZEELEMUSMXDXGG-JKSUJKDBSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001086942594 791857816 /nfs/dbraw/zinc/85/78/16/791857816.db2.gz WGRZISVRSUBGMF-DLBZAZTESA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)(C(=O)N1C[C@H]2C[N@H+](CC3CC3)C[C@@]2(C)C1)N1CCCC1 ZINC001091909922 791898388 /nfs/dbraw/zinc/89/83/88/791898388.db2.gz DKLLJWOSCBUPJC-APWZRJJASA-N 1 3 319.493 2.051 20 0 DEADHO CC(C)(C(=O)N1C[C@H]2C[N@@H+](CC3CC3)C[C@@]2(C)C1)N1CCCC1 ZINC001091909922 791898393 /nfs/dbraw/zinc/89/83/93/791898393.db2.gz DKLLJWOSCBUPJC-APWZRJJASA-N 1 3 319.493 2.051 20 0 DEADHO CC(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092012871 791922873 /nfs/dbraw/zinc/92/28/73/791922873.db2.gz DCKLKAUPNGEXOJ-SCTDSRPQSA-N 1 3 321.509 2.155 20 0 DEADHO CC(C)CC[N@H+]1C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092012871 791922876 /nfs/dbraw/zinc/92/28/76/791922876.db2.gz DCKLKAUPNGEXOJ-SCTDSRPQSA-N 1 3 321.509 2.155 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C(C)C)N1CCCC1 ZINC001111462484 791989294 /nfs/dbraw/zinc/98/92/94/791989294.db2.gz ZMRGIUVGZNYBTQ-NCOADZHNSA-N 1 3 307.482 2.237 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C(C)C)N1CCCC1 ZINC001111462484 791989300 /nfs/dbraw/zinc/98/93/00/791989300.db2.gz ZMRGIUVGZNYBTQ-NCOADZHNSA-N 1 3 307.482 2.237 20 0 DEADHO CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C1CC1)N1CCCC1 ZINC001099154264 792118027 /nfs/dbraw/zinc/11/80/27/792118027.db2.gz VPNRXWBOMKSCHE-DLBZAZTESA-N 1 3 321.509 2.488 20 0 DEADHO CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C1CC1)N1CCCC1 ZINC001099154264 792118036 /nfs/dbraw/zinc/11/80/36/792118036.db2.gz VPNRXWBOMKSCHE-DLBZAZTESA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CC1CCCC1 ZINC001093824316 792608560 /nfs/dbraw/zinc/60/85/60/792608560.db2.gz PYJMVPNKNBPMIC-OLMNPRSZSA-N 1 3 321.509 2.201 20 0 DEADHO CCC(CC)C[NH2+]C1CC(CNC(=O)CN2CCC[C@@H]2C)C1 ZINC001100677090 792783071 /nfs/dbraw/zinc/78/30/71/792783071.db2.gz YIBYCYTWUKFRQA-OOHWJJMZSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC2CC([NH2+]CC3CCCC3)C2)C1 ZINC001100678372 792784766 /nfs/dbraw/zinc/78/47/66/792784766.db2.gz IPNKQMHJEZWRGW-ODIFPOPNSA-N 1 3 307.482 2.003 20 0 DEADHO C[C@H](F)CC[NH2+]C1CC(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001100681632 792786006 /nfs/dbraw/zinc/78/60/06/792786006.db2.gz OLMQPNCUVFDPQH-NFOMZHRRSA-N 1 3 315.477 2.197 20 0 DEADHO CCN(CC)CC(=O)NCC1CC([NH2+]Cc2cccc(C)c2)C1 ZINC001100769729 792834864 /nfs/dbraw/zinc/83/48/64/792834864.db2.gz YKDYHEPAXQFGFJ-UHFFFAOYSA-N 1 3 317.477 2.321 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccn1)N(C)C ZINC001171498468 793104551 /nfs/dbraw/zinc/10/45/51/793104551.db2.gz CWHVQOOLIYNDQB-DOTOQJQBSA-N 1 3 320.481 2.186 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368686 793135980 /nfs/dbraw/zinc/13/59/80/793135980.db2.gz HYQSQQKCZUIPEF-APWZRJJASA-N 1 3 323.525 2.401 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368686 793135984 /nfs/dbraw/zinc/13/59/84/793135984.db2.gz HYQSQQKCZUIPEF-APWZRJJASA-N 1 3 323.525 2.401 20 0 DEADHO C[NH+]1C(C)(C)CC(N2CCN(CC(C)(C)O)CC2)CC1(C)C ZINC001171644570 793174624 /nfs/dbraw/zinc/17/46/24/793174624.db2.gz FNAMDLYPMIHGAU-UHFFFAOYSA-N 1 3 311.514 2.026 20 0 DEADHO O=C1C[C@H](NC2CC[NH+](CC3CCCC3)CC2)CCN1C1CC1 ZINC001172004892 793277747 /nfs/dbraw/zinc/27/77/47/793277747.db2.gz LFYSJNQLOHIFDS-QGZVFWFLSA-N 1 3 319.493 2.384 20 0 DEADHO O=C1C[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)CCN1C1CC1 ZINC001172004892 793277751 /nfs/dbraw/zinc/27/77/51/793277751.db2.gz LFYSJNQLOHIFDS-QGZVFWFLSA-N 1 3 319.493 2.384 20 0 DEADHO CCC(CC)[NH+]1CCC(N[C@@H]2CCN(C3CC3)C(=O)C2)CC1 ZINC001172006715 793278717 /nfs/dbraw/zinc/27/87/17/793278717.db2.gz ZRZRWAAHGCAYNA-OAHLLOKOSA-N 1 3 307.482 2.382 20 0 DEADHO CCC(CC)N1CCC([NH2+][C@@H]2CCN(C3CC3)C(=O)C2)CC1 ZINC001172006715 793278728 /nfs/dbraw/zinc/27/87/28/793278728.db2.gz ZRZRWAAHGCAYNA-OAHLLOKOSA-N 1 3 307.482 2.382 20 0 DEADHO CCN1CC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)CC1=O ZINC001172031602 793298799 /nfs/dbraw/zinc/29/87/99/793298799.db2.gz JDNJWFUMGJMVHL-MRXNPFEDSA-N 1 3 307.482 2.384 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[C@H](Oc3ncccn3)C1)C2 ZINC001172132902 793323349 /nfs/dbraw/zinc/32/33/49/793323349.db2.gz PYGBIUOHRRYALK-HZMVEIRTSA-N 1 3 316.449 2.335 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[C@H](Oc3ncccn3)C1)C2 ZINC001172132902 793323359 /nfs/dbraw/zinc/32/33/59/793323359.db2.gz PYGBIUOHRRYALK-HZMVEIRTSA-N 1 3 316.449 2.335 20 0 DEADHO COc1ccc([C@H](CO)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC001172106983 793333135 /nfs/dbraw/zinc/33/31/35/793333135.db2.gz RHBZBIZQLDXIGT-CUSZFKRNSA-N 1 3 304.434 2.334 20 0 DEADHO [NH3+]CCCCN1CCN([C@@H]2CSc3ccccc3C2)CC1 ZINC001172200178 793377342 /nfs/dbraw/zinc/37/73/42/793377342.db2.gz HPOHPVQBBUFFRS-INIZCTEOSA-N 1 3 305.491 2.060 20 0 DEADHO CC[N@H+]([C@@H]1CCOC1)C1CCN(C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172241526 793382512 /nfs/dbraw/zinc/38/25/12/793382512.db2.gz CAQHXCTZWOAZSR-CSNJMZFVSA-N 1 3 306.450 2.048 20 0 DEADHO CC[N@@H+]([C@@H]1CCOC1)C1CCN(C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172241526 793382521 /nfs/dbraw/zinc/38/25/21/793382521.db2.gz CAQHXCTZWOAZSR-CSNJMZFVSA-N 1 3 306.450 2.048 20 0 DEADHO CCOCC[C@@H](C)[NH2+]Cc1ccccc1CN1CCN(C)CC1 ZINC001172412352 793415451 /nfs/dbraw/zinc/41/54/51/793415451.db2.gz WLFAFZAFAGCXAH-QGZVFWFLSA-N 1 3 319.493 2.339 20 0 DEADHO CC[C@H](C)C[N@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102046193 793485662 /nfs/dbraw/zinc/48/56/62/793485662.db2.gz RPGLLFFNMOBNLE-ARFHVFGLSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@H](C)C[N@@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102046193 793485664 /nfs/dbraw/zinc/48/56/64/793485664.db2.gz RPGLLFFNMOBNLE-ARFHVFGLSA-N 1 3 309.498 2.201 20 0 DEADHO COC(=O)[C@H]1CCC[C@@H]([NH+]2CCN(c3ccncc3)CC2)CC1 ZINC001172783472 793500858 /nfs/dbraw/zinc/50/08/58/793500858.db2.gz SVDBVVMYLIQWBY-JKSUJKDBSA-N 1 3 317.433 2.326 20 0 DEADHO COC(=O)[C@H]1CCC[C@@H](N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001172783472 793500859 /nfs/dbraw/zinc/50/08/59/793500859.db2.gz SVDBVVMYLIQWBY-JKSUJKDBSA-N 1 3 317.433 2.326 20 0 DEADHO Cc1ccc2c(c1)C[C@@H](N1CCN(CCC[NH+](C)C)CC1)CC2 ZINC001172831674 793509078 /nfs/dbraw/zinc/50/90/78/793509078.db2.gz PIUBXIFRALUOKE-FQEVSTJZSA-N 1 3 315.505 2.422 20 0 DEADHO COc1cccc2c1C[C@@H](NC1CC[NH+](C3CC3)CC1)CO2 ZINC001173157645 793611466 /nfs/dbraw/zinc/61/14/66/793611466.db2.gz VRXMGTLHGDOUNJ-CQSZACIVSA-N 1 3 302.418 2.215 20 0 DEADHO CC1(C)CC(N)CC(C)(C)[NH+]1[C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173736180 793828221 /nfs/dbraw/zinc/82/82/21/793828221.db2.gz YMDJGBHRMPUVCS-KGLIPLIRSA-N 1 3 306.458 2.137 20 0 DEADHO CN1CCN(c2ccc(Nc3cc[nH+]c4c3CCC4)cc2)CC1 ZINC001174814580 794070525 /nfs/dbraw/zinc/07/05/25/794070525.db2.gz FTBZRJXVCSJACX-UHFFFAOYSA-N 1 3 308.429 2.488 20 0 DEADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1C)N(C)C ZINC001103443987 794096345 /nfs/dbraw/zinc/09/63/45/794096345.db2.gz VRJLHPRTPSQGAV-ZACQAIPSSA-N 1 3 309.498 2.367 20 0 DEADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CC=C(C)C)C[C@H]1C)N(C)C ZINC001103443987 794096352 /nfs/dbraw/zinc/09/63/52/794096352.db2.gz VRJLHPRTPSQGAV-ZACQAIPSSA-N 1 3 309.498 2.367 20 0 DEADHO CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001103756817 794214253 /nfs/dbraw/zinc/21/42/53/794214253.db2.gz BHUNXVUAEMIYAA-ZACQAIPSSA-N 1 3 309.498 2.345 20 0 DEADHO CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001103756817 794214259 /nfs/dbraw/zinc/21/42/59/794214259.db2.gz BHUNXVUAEMIYAA-ZACQAIPSSA-N 1 3 309.498 2.345 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1cnc(C)o1 ZINC001175786931 794288385 /nfs/dbraw/zinc/28/83/85/794288385.db2.gz RCFJRLSYYMKXAU-AWEZNQCLSA-N 1 3 324.469 2.089 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1cccnc1 ZINC001176279839 794389693 /nfs/dbraw/zinc/38/96/93/794389693.db2.gz REKIEFVABBTPKB-MRXNPFEDSA-N 1 3 320.481 2.188 20 0 DEADHO CC[C@H](F)C[NH2+]CC1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001206274907 794430575 /nfs/dbraw/zinc/43/05/75/794430575.db2.gz NBZCSSXZKYJIAD-ZBFHGGJFSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)CCCC[NH2+]CC[C@H](C)F ZINC001176753357 794497646 /nfs/dbraw/zinc/49/76/46/794497646.db2.gz GTFKKCCLLOIPRT-GJZGRUSLSA-N 1 3 303.466 2.339 20 0 DEADHO CC[C@@H](C[NH2+]CCCC[C@H](C)NC(=O)CN(C)C(C)C)OC ZINC001176753331 794497791 /nfs/dbraw/zinc/49/77/91/794497791.db2.gz GKFNXOFZKMZBMQ-HOTGVXAUSA-N 1 3 315.502 2.016 20 0 DEADHO CC[C@H](F)CN1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)CC)C1 ZINC001111926740 794527757 /nfs/dbraw/zinc/52/77/57/794527757.db2.gz GMVCJJNMALNGJC-ZOBUZTSGSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](F)CN1C[C@@H]2CCC[C@]2(NC(=O)CC[N@@H+](C)CC)C1 ZINC001111926740 794527762 /nfs/dbraw/zinc/52/77/62/794527762.db2.gz GMVCJJNMALNGJC-ZOBUZTSGSA-N 1 3 313.461 2.047 20 0 DEADHO CCc1ccc(C[NH2+]CCCNC(=O)CN(C)C(C)C)cc1 ZINC001176974978 794545588 /nfs/dbraw/zinc/54/55/88/794545588.db2.gz FOYNQIAAUHUSMD-UHFFFAOYSA-N 1 3 305.466 2.185 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CCc1ccccc1 ZINC001176986307 794547494 /nfs/dbraw/zinc/54/74/94/794547494.db2.gz KJBNSIHAPIQMGT-GOSISDBHSA-N 1 3 317.477 2.199 20 0 DEADHO CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001112353591 794611163 /nfs/dbraw/zinc/61/11/63/794611163.db2.gz QCQXOGGIBOYZHH-LNLFQRSKSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](C(=O)NCCCCCC[NH2+]C[C@H](CC)OC)N(C)C ZINC001178815717 795012727 /nfs/dbraw/zinc/01/27/27/795012727.db2.gz KUWBPRPLLSHMEJ-JKSUJKDBSA-N 1 3 315.502 2.018 20 0 DEADHO C[C@@H](F)CC[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@H]1C ZINC001179550000 795135998 /nfs/dbraw/zinc/13/59/98/795135998.db2.gz PJTFDVLWJJIGHD-ILXRZTDVSA-N 1 3 315.477 2.291 20 0 DEADHO CCOCCC[NH2+]CCCCCCNC(=O)[C@H](CC)N(C)C ZINC001179609528 795143060 /nfs/dbraw/zinc/14/30/60/795143060.db2.gz UKGWIVIVLILOIW-INIZCTEOSA-N 1 3 315.502 2.019 20 0 DEADHO CC[C@@H](C[NH2+]CCCCCCNC(=O)CN(CC)CC)OC ZINC001179850826 795188533 /nfs/dbraw/zinc/18/85/33/795188533.db2.gz NFLRDEBFVUFUKX-INIZCTEOSA-N 1 3 315.502 2.019 20 0 DEADHO CC(C)N(C)CC(=O)NCCCCCC[NH2+]Cc1cccnc1 ZINC001180369626 795292328 /nfs/dbraw/zinc/29/23/28/795292328.db2.gz PANAFOJDPOOTCC-UHFFFAOYSA-N 1 3 320.481 2.188 20 0 DEADHO CN1CCN(c2ccc(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)CC1 ZINC001120007091 795388340 /nfs/dbraw/zinc/38/83/40/795388340.db2.gz HMJHIFFVJJIJHP-JLYLLQBASA-N 1 3 314.477 2.476 20 0 DEADHO CN1CCN(c2ccc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)CC1 ZINC001120007091 795388348 /nfs/dbraw/zinc/38/83/48/795388348.db2.gz HMJHIFFVJJIJHP-JLYLLQBASA-N 1 3 314.477 2.476 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1([NH2+]CCF)CCCCC1 ZINC001120189383 795419805 /nfs/dbraw/zinc/41/98/05/795419805.db2.gz ISUSIHDSMXPZAG-HUUCEWRRSA-N 1 3 313.461 2.237 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+]CC[C@@H](C)F)CCCCC1 ZINC001120208408 795422202 /nfs/dbraw/zinc/42/22/02/795422202.db2.gz YVYXZGYHSXQSDZ-OAHLLOKOSA-N 1 3 315.477 2.483 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C(C)C)C1 ZINC001181671074 795517870 /nfs/dbraw/zinc/51/78/70/795517870.db2.gz JIHKYRKCIOGPJV-SOLBZPMBSA-N 1 3 309.498 2.343 20 0 DEADHO CCC[NH2+]C1CC2(CC(NC(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001121791107 795687130 /nfs/dbraw/zinc/68/71/30/795687130.db2.gz GIPWYOZWEMSPKF-UHFFFAOYSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CC3CCC3)C2)C1 ZINC001182630162 795714975 /nfs/dbraw/zinc/71/49/75/795714975.db2.gz QIWKEAHOCZXKGC-GPMSIDNRSA-N 1 3 321.509 2.203 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCC2)C1)N(C)C ZINC001182637727 795716769 /nfs/dbraw/zinc/71/67/69/795716769.db2.gz MHOXIBFRDDQWNE-UWWQBHOKSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)=CC[NH2+]C1CC2(CC(NC(=O)Cc3nc[nH]c3C)C2)C1 ZINC001122118040 795727728 /nfs/dbraw/zinc/72/77/28/795727728.db2.gz JYVVYFRJFZRIBI-UHFFFAOYSA-N 1 3 316.449 2.244 20 0 DEADHO CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001182813554 795759883 /nfs/dbraw/zinc/75/98/83/795759883.db2.gz JWHFKXYHQZXZFO-SOLBZPMBSA-N 1 3 309.498 2.343 20 0 DEADHO CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001183268315 795842812 /nfs/dbraw/zinc/84/28/12/795842812.db2.gz SZHIJJINFLAAPS-NGHLMZTLSA-N 1 3 307.482 2.264 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@]1(C)CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001183509805 795883822 /nfs/dbraw/zinc/88/38/22/795883822.db2.gz OSOCWDZVWGJVMK-JFIYKMOQSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NC/C=C/Cl)C1 ZINC001183867667 795954472 /nfs/dbraw/zinc/95/44/72/795954472.db2.gz HTZWITVIQPJPOT-HYBGQWMJSA-N 1 3 313.873 2.050 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NC/C=C/Cl)C1 ZINC001183867667 795954473 /nfs/dbraw/zinc/95/44/73/795954473.db2.gz HTZWITVIQPJPOT-HYBGQWMJSA-N 1 3 313.873 2.050 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1C[NH2+]CCC1CC1 ZINC001184575532 796086473 /nfs/dbraw/zinc/08/64/73/796086473.db2.gz DVBXHZBHMSXLSN-WBVHZDCISA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1C[NH2+]CCC1CC1 ZINC001184575529 796086687 /nfs/dbraw/zinc/08/66/87/796086687.db2.gz DVBXHZBHMSXLSN-DOTOQJQBSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C[NH2+]CCCCCF ZINC001185216180 796215402 /nfs/dbraw/zinc/21/54/02/796215402.db2.gz PTBCXNMLPMQHQD-CABCVRRESA-N 1 3 324.444 2.166 20 0 DEADHO COc1ccc(OC)c(CN2CCC3(C2)CC[NH+](C)CC3)c1N ZINC001139278689 796353405 /nfs/dbraw/zinc/35/34/05/796353405.db2.gz IDWCVRZRBHPTKF-UHFFFAOYSA-N 1 3 319.449 2.204 20 0 DEADHO CCC1(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)COC1 ZINC001202936530 796378438 /nfs/dbraw/zinc/37/84/38/796378438.db2.gz MISPITGSWVTREM-MJGOQNOKSA-N 1 3 322.493 2.093 20 0 DEADHO CCC1(CN2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)COC1 ZINC001202936530 796378441 /nfs/dbraw/zinc/37/84/41/796378441.db2.gz MISPITGSWVTREM-MJGOQNOKSA-N 1 3 322.493 2.093 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001186403884 796399095 /nfs/dbraw/zinc/39/90/95/796399095.db2.gz AGZYXFZZTOUGSF-SOIVGHGOSA-N 1 3 315.889 2.442 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@H](C)c2ccccc2F)C1 ZINC001186817320 796447963 /nfs/dbraw/zinc/44/79/63/796447963.db2.gz PULBZSNUQRGSPO-HUUCEWRRSA-N 1 3 321.440 2.419 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@H](C)c2ccccc2F)C1 ZINC001186817320 796447966 /nfs/dbraw/zinc/44/79/66/796447966.db2.gz PULBZSNUQRGSPO-HUUCEWRRSA-N 1 3 321.440 2.419 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001187284428 796514477 /nfs/dbraw/zinc/51/44/77/796514477.db2.gz VFLFKLKMGYEPOR-QGZVFWFLSA-N 1 3 317.477 2.336 20 0 DEADHO CC(C)CC[NH2+]C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001203047290 796539720 /nfs/dbraw/zinc/53/97/20/796539720.db2.gz YLHFXFMUAGHHGP-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](F)C[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001188084945 796625213 /nfs/dbraw/zinc/62/52/13/796625213.db2.gz KXEPEXMQKPQFRU-DLBZAZTESA-N 1 3 321.440 2.300 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001188124385 796629135 /nfs/dbraw/zinc/62/91/35/796629135.db2.gz BSQJHTHSLADAAX-HMZQOCAUSA-N 1 3 321.852 2.305 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001188138803 796630750 /nfs/dbraw/zinc/63/07/50/796630750.db2.gz CTZKMAJVVBFCCO-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO O=C(CC[NH+]1CCCCC1)NCCc1cnc2cc[nH]cc1-2 ZINC001142923933 796785592 /nfs/dbraw/zinc/78/55/92/796785592.db2.gz TZXZSZKKYZANSW-UHFFFAOYSA-N 1 3 300.406 2.098 20 0 DEADHO O=C(CC[NH+]1CCCCC1)NCCc1c[nH]c2ccncc12 ZINC001142923933 796785596 /nfs/dbraw/zinc/78/55/96/796785596.db2.gz TZXZSZKKYZANSW-UHFFFAOYSA-N 1 3 300.406 2.098 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]C/C=C\c1ccccc1 ZINC001152445678 797188629 /nfs/dbraw/zinc/18/86/29/797188629.db2.gz MQOFJXWNNIOIBZ-IBWPDUFMSA-N 1 3 315.461 2.280 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cccc(Cl)c1 ZINC001152451726 797189848 /nfs/dbraw/zinc/18/98/48/797189848.db2.gz FLYQWZOUQIYTHA-MRXNPFEDSA-N 1 3 323.868 2.420 20 0 DEADHO Cc1cc(F)ccc1CN(C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192172150 797331985 /nfs/dbraw/zinc/33/19/85/797331985.db2.gz ZNPJOJJXBDBCKG-KRWDZBQOSA-N 1 3 321.440 2.119 20 0 DEADHO CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001192190303 797334097 /nfs/dbraw/zinc/33/40/97/797334097.db2.gz MHAWUEVZLIDPDC-PIIXRYACSA-N 1 3 309.498 2.462 20 0 DEADHO CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001192190303 797334101 /nfs/dbraw/zinc/33/41/01/797334101.db2.gz MHAWUEVZLIDPDC-PIIXRYACSA-N 1 3 309.498 2.462 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)CCC(C)(C)C)C1 ZINC001192343438 797365842 /nfs/dbraw/zinc/36/58/42/797365842.db2.gz OXPYEARPVZNXJR-HOTGVXAUSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001192343438 797365850 /nfs/dbraw/zinc/36/58/50/797365850.db2.gz OXPYEARPVZNXJR-HOTGVXAUSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CCC(C)(C)C)C2)C1 ZINC001192355651 797372983 /nfs/dbraw/zinc/37/29/83/797372983.db2.gz RXZBHXOHTAFKDR-HZPDHXFCSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CCC(C)(C)C)C2)C1 ZINC001192355651 797372987 /nfs/dbraw/zinc/37/29/87/797372987.db2.gz RXZBHXOHTAFKDR-HZPDHXFCSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+](Cc1ccccc1)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001153828953 797405889 /nfs/dbraw/zinc/40/58/89/797405889.db2.gz VCAAPVVKPJRBSN-MRXNPFEDSA-N 1 3 317.477 2.498 20 0 DEADHO CC[N@@H+](Cc1ccccc1)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001153828953 797405893 /nfs/dbraw/zinc/40/58/93/797405893.db2.gz VCAAPVVKPJRBSN-MRXNPFEDSA-N 1 3 317.477 2.498 20 0 DEADHO CCN(Cc1cc(F)ccc1C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999533 797657133 /nfs/dbraw/zinc/65/71/33/797657133.db2.gz JMGXTYVFIWYUAG-OAHLLOKOSA-N 1 3 323.456 2.412 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC[N@H+](CC2CCCC2)CC1 ZINC001196340030 798039806 /nfs/dbraw/zinc/03/98/06/798039806.db2.gz DCTZZHARFCHNRM-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC[N@@H+](CC2CCCC2)CC1 ZINC001196340030 798039811 /nfs/dbraw/zinc/03/98/11/798039811.db2.gz DCTZZHARFCHNRM-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO [NH3+]Cc1nn(-c2cc(Cl)nc3c2CCNC3)c2ccccc12 ZINC001156860934 798096787 /nfs/dbraw/zinc/09/67/87/798096787.db2.gz VITZHUFHYRJIMN-UHFFFAOYSA-N 1 3 313.792 2.178 20 0 DEADHO CCc1ccc(-c2ccc(NC(=N)NCCCC[NH3+])nn2)cc1 ZINC001157098829 798143008 /nfs/dbraw/zinc/14/30/08/798143008.db2.gz BBKWOYNLFZFMIA-UHFFFAOYSA-N 1 3 312.421 2.381 20 0 DEADHO CC(C)[C@H](C(=O)N1CCCC[C@]2(CCCC[NH2+]C2)C1)N(C)C ZINC001158031350 798329886 /nfs/dbraw/zinc/32/98/86/798329886.db2.gz LXZHICHDXWAFGG-AEFFLSMTSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)(C)[C@@H](N)C(=O)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158241063 798366415 /nfs/dbraw/zinc/36/64/15/798366415.db2.gz QQNCMMCMQUAKGM-MNOVXSKESA-N 1 3 321.387 2.035 20 0 DEADHO CCN[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccccc1OC ZINC001198766738 798392984 /nfs/dbraw/zinc/39/29/84/798392984.db2.gz GYGVUVLHODNNOD-WBVHZDCISA-N 1 3 321.465 2.048 20 0 DEADHO Cc1cc(N(c2cc(N)c(C)cn2)C2CC[NH2+]CC2)nc(C)n1 ZINC001158390995 798400259 /nfs/dbraw/zinc/40/02/59/798400259.db2.gz GBBMHCHDVVCVHD-UHFFFAOYSA-N 1 3 312.421 2.269 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@@H](NC(C)C)c1ccccc1OC ZINC001198954022 798420093 /nfs/dbraw/zinc/42/00/93/798420093.db2.gz ZKPHYJWGVKZZLL-MRXNPFEDSA-N 1 3 321.465 2.192 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@@H](NC(C)C)c1ccccc1OC ZINC001198954022 798420095 /nfs/dbraw/zinc/42/00/95/798420095.db2.gz ZKPHYJWGVKZZLL-MRXNPFEDSA-N 1 3 321.465 2.192 20 0 DEADHO CN1CCC(N(c2cccc(Cl)n2)C2CC[NH2+]CC2)CC1 ZINC001158575696 798432837 /nfs/dbraw/zinc/43/28/37/798432837.db2.gz RORUAGNGLLSZKD-UHFFFAOYSA-N 1 3 308.857 2.388 20 0 DEADHO CCCc1cncnc1N(C1CC[NH2+]CC1)C1CCN(C)CC1 ZINC001158580344 798433149 /nfs/dbraw/zinc/43/31/49/798433149.db2.gz DXDLMSKPVCIDCP-UHFFFAOYSA-N 1 3 317.481 2.082 20 0 DEADHO [NH3+]C1CCN(CCc2cn(-c3ccncn3)c3ccccc23)CC1 ZINC001159459666 798567076 /nfs/dbraw/zinc/56/70/76/798567076.db2.gz AIKPVUHZTTZYRO-UHFFFAOYSA-N 1 3 321.428 2.386 20 0 DEADHO CN(Cc1ccc(-n2cc3ccc(C[NH3+])cc3n2)nc1)C1CC1 ZINC001160143278 798653745 /nfs/dbraw/zinc/65/37/45/798653745.db2.gz KHNGAXMMVYWGHO-UHFFFAOYSA-N 1 3 307.401 2.473 20 0 DEADHO C[NH+](C)C1(C)CN(C(=O)[C@H]2CCC[C@@H](c3ccccc3)N2)C1 ZINC001160644262 798714278 /nfs/dbraw/zinc/71/42/78/798714278.db2.gz AYCIYKIKQBJWTM-JKSUJKDBSA-N 1 3 301.434 2.032 20 0 DEADHO CC[C@H](C)CN1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001201509540 798762940 /nfs/dbraw/zinc/76/29/40/798762940.db2.gz RTILJUUJIJSEIE-HNNXBMFYSA-N 1 3 308.470 2.213 20 0 DEADHO [NH3+]Cc1cc2ccncc2n1-c1cc(Cl)nc2c1CCNC2 ZINC001160961536 798771983 /nfs/dbraw/zinc/77/19/83/798771983.db2.gz DXEJAWFGLMXFLH-UHFFFAOYSA-N 1 3 313.792 2.178 20 0 DEADHO CN(C(=O)[C@@H](N)CCCc1ccccc1)[C@H]1CCCC[C@H]1[NH3+] ZINC001161060511 798789759 /nfs/dbraw/zinc/78/97/59/798789759.db2.gz BZISGWRMCPYPJX-IKGGRYGDSA-N 1 3 303.450 2.065 20 0 DEADHO CC(C)C[N@H+]1CC=C(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001161214072 798811300 /nfs/dbraw/zinc/81/13/00/798811300.db2.gz RWVNCHCMZKVTSO-MRXNPFEDSA-N 1 3 307.482 2.123 20 0 DEADHO CC(C)C[N@@H+]1CC=C(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001161214072 798811305 /nfs/dbraw/zinc/81/13/05/798811305.db2.gz RWVNCHCMZKVTSO-MRXNPFEDSA-N 1 3 307.482 2.123 20 0 DEADHO CC1(C)CCN(CC(=O)NCCC2=CC[N@H+](CC3CC3)CC2)C1 ZINC001161219474 798812635 /nfs/dbraw/zinc/81/26/35/798812635.db2.gz GSIBIDJYFVHAAU-UHFFFAOYSA-N 1 3 319.493 2.267 20 0 DEADHO CC1(C)CCN(CC(=O)NCCC2=CC[N@@H+](CC3CC3)CC2)C1 ZINC001161219474 798812639 /nfs/dbraw/zinc/81/26/39/798812639.db2.gz GSIBIDJYFVHAAU-UHFFFAOYSA-N 1 3 319.493 2.267 20 0 DEADHO CC(C)N(C)CC(=O)NCCC1=CC[N@H+](CC[C@@H](C)F)CC1 ZINC001161946750 798976089 /nfs/dbraw/zinc/97/60/89/798976089.db2.gz AVRBQIXQZZZOCN-OAHLLOKOSA-N 1 3 313.461 2.213 20 0 DEADHO CC(C)N(C)CC(=O)NCCC1=CC[N@@H+](CC[C@@H](C)F)CC1 ZINC001161946750 798976091 /nfs/dbraw/zinc/97/60/91/798976091.db2.gz AVRBQIXQZZZOCN-OAHLLOKOSA-N 1 3 313.461 2.213 20 0 DEADHO CC/C=C\CC[NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001202495993 798985348 /nfs/dbraw/zinc/98/53/48/798985348.db2.gz MAVYONILVGINAT-AWFCHZOYSA-N 1 3 307.482 2.408 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC(C)C)C[C@H]21 ZINC001114367902 799072007 /nfs/dbraw/zinc/07/20/07/799072007.db2.gz BBZJJPNFFUAYCQ-XWTMOSNGSA-N 1 3 321.509 2.343 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC(C)C)C[C@H]21 ZINC001114367902 799072016 /nfs/dbraw/zinc/07/20/16/799072016.db2.gz BBZJJPNFFUAYCQ-XWTMOSNGSA-N 1 3 321.509 2.343 20 0 DEADHO CCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1CCC ZINC001114368183 799072409 /nfs/dbraw/zinc/07/24/09/799072409.db2.gz HFHOFDFGKMTLIG-TWMKSMIVSA-N 1 3 307.482 2.097 20 0 DEADHO CCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1CCC ZINC001114368183 799072416 /nfs/dbraw/zinc/07/24/16/799072416.db2.gz HFHOFDFGKMTLIG-TWMKSMIVSA-N 1 3 307.482 2.097 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)N(C)C ZINC001114442670 799113004 /nfs/dbraw/zinc/11/30/04/799113004.db2.gz LTJNHMKBKORPBX-HZMVEIRTSA-N 1 3 309.498 2.055 20 0 DEADHO CCC(CC)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)N(C)C ZINC001114442670 799113009 /nfs/dbraw/zinc/11/30/09/799113009.db2.gz LTJNHMKBKORPBX-HZMVEIRTSA-N 1 3 309.498 2.055 20 0 DEADHO CN1CCCC[C@H]1c1ccc(N[C@@H]2COCCC23C[NH2+]C3)nc1 ZINC001163075116 799238752 /nfs/dbraw/zinc/23/87/52/799238752.db2.gz YDUOCGOJZASDKU-JKSUJKDBSA-N 1 3 316.449 2.029 20 0 DEADHO CC[NH+](CC)CCNC(=N)Nc1nc(SC)ncc1Cl ZINC001163122453 799251795 /nfs/dbraw/zinc/25/17/95/799251795.db2.gz LJVYGYYQOUGABE-UHFFFAOYSA-N 1 3 316.862 2.130 20 0 DEADHO CCN(CC)CCNC(=[NH2+])Nc1nc2cnccc2cc1C ZINC001163130103 799254352 /nfs/dbraw/zinc/25/43/52/799254352.db2.gz VFKJXFZCPJIDJG-UHFFFAOYSA-N 1 3 300.410 2.216 20 0 DEADHO Cc1nc2ccc(NC[C@H]3CO[C@]4(C3)CCC[NH2+]C4)cc2[nH]1 ZINC001163279548 799297185 /nfs/dbraw/zinc/29/71/85/799297185.db2.gz NDTLTDRCGDGIGR-GUYCJALGSA-N 1 3 300.406 2.442 20 0 DEADHO CN1CCN(Cc2ccc(NC=CC3CC[NH2+]CC3)cc2)CC1 ZINC001165213250 799674856 /nfs/dbraw/zinc/67/48/56/799674856.db2.gz FDRLFUKSEOKQSJ-FLIBITNWSA-N 1 3 314.477 2.359 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC1 ZINC001095668454 799688245 /nfs/dbraw/zinc/68/82/45/799688245.db2.gz PBIACWIUVRDDQU-OWSLCNJRSA-N 1 3 319.493 2.238 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC1 ZINC001095668454 799688251 /nfs/dbraw/zinc/68/82/51/799688251.db2.gz PBIACWIUVRDDQU-OWSLCNJRSA-N 1 3 319.493 2.238 20 0 DEADHO CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCCN1CCC3)C2 ZINC001095685583 799694385 /nfs/dbraw/zinc/69/43/85/799694385.db2.gz MWPAOEODWPETNI-IKGGRYGDSA-N 1 3 319.493 2.382 20 0 DEADHO CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCCN1CCC3)C2 ZINC001095685583 799694390 /nfs/dbraw/zinc/69/43/90/799694390.db2.gz MWPAOEODWPETNI-IKGGRYGDSA-N 1 3 319.493 2.382 20 0 DEADHO CC1CC(C[NH2+]CC2(CCNC(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001165464572 799734560 /nfs/dbraw/zinc/73/45/60/799734560.db2.gz GMAMFQCPUYEDOV-UHFFFAOYSA-N 1 3 321.509 2.393 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC1(C[NH2+]CCC2CC2)CC1)N(C)C ZINC001165617666 799752132 /nfs/dbraw/zinc/75/21/32/799752132.db2.gz QQMKTIUMXXYSTE-INIZCTEOSA-N 1 3 309.498 2.249 20 0 DEADHO CC[C@H](C(=O)NCCCNCc1oc(C)nc1C)[NH+](CC)CC ZINC001166440256 799870743 /nfs/dbraw/zinc/87/07/43/799870743.db2.gz SFHVFMVDKRYLMY-OAHLLOKOSA-N 1 3 324.469 2.008 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]C/C=C/c2ccccc2)C1 ZINC001166667946 799916093 /nfs/dbraw/zinc/91/60/93/799916093.db2.gz MKHZKVMJTOYXOM-HFTQHKIXSA-N 1 3 315.461 2.138 20 0 DEADHO CC(C)(C)N1CC[C@](F)(C(=O)NCCC[NH2+]CCC2CC2)C1 ZINC001166686636 799920991 /nfs/dbraw/zinc/92/09/91/799920991.db2.gz ABQJXNDBTDJCRW-QGZVFWFLSA-N 1 3 313.461 2.095 20 0 DEADHO COc1nc(OC)c(CN2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1C ZINC001205664567 800397090 /nfs/dbraw/zinc/39/70/90/800397090.db2.gz OGUDUSZHWBCXRQ-GXTWGEPZSA-N 1 3 307.438 2.214 20 0 DEADHO [NH3+]C[C@@]1(O)CCCCN(Cc2cccc(-c3ccccn3)c2)C1 ZINC001205680796 800399598 /nfs/dbraw/zinc/39/95/98/800399598.db2.gz AVXMYTAVIDESGE-IBGZPJMESA-N 1 3 311.429 2.424 20 0 DEADHO NC[C@@]1(O)CCCC[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC001205680796 800399607 /nfs/dbraw/zinc/39/96/07/800399607.db2.gz AVXMYTAVIDESGE-IBGZPJMESA-N 1 3 311.429 2.424 20 0 DEADHO NC[C@@]1(O)CCCC[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC001205680796 800399615 /nfs/dbraw/zinc/39/96/15/800399615.db2.gz AVXMYTAVIDESGE-IBGZPJMESA-N 1 3 311.429 2.424 20 0 DEADHO C[C@@H]1CN(Cc2cnn3ccc(Cl)nc23)CCC[C@@H]1C[NH3+] ZINC001206036132 800462492 /nfs/dbraw/zinc/46/24/92/800462492.db2.gz GXGCMYBACJYQFS-VXGBXAGGSA-N 1 3 307.829 2.190 20 0 DEADHO C[C@]1(C[NH3+])CCCN(Cc2ccc(C(F)(F)F)nn2)CC1 ZINC001206311956 800506666 /nfs/dbraw/zinc/50/66/66/800506666.db2.gz XIMACRAPDFRNNS-ZDUSSCGKSA-N 1 3 302.344 2.446 20 0 DEADHO COC(=O)CCc1c(C)[nH]c(CN2CCCC[C@H](C[NH3+])C2)c1C ZINC001206616930 800565847 /nfs/dbraw/zinc/56/58/47/800565847.db2.gz UOLMXQDCFPNNGF-OAHLLOKOSA-N 1 3 321.465 2.298 20 0 DEADHO COC[C@H]1COCCC12CCN(CC(C)(C)C[NH+](C)C)CC2 ZINC001207282178 800722189 /nfs/dbraw/zinc/72/21/89/800722189.db2.gz NJLPORLHLPIBOG-INIZCTEOSA-N 1 3 312.498 2.339 20 0 DEADHO C[NH+]1CCC(CN2CCN(c3ccc(F)c(F)c3)CC2)CC1 ZINC001207392357 800742924 /nfs/dbraw/zinc/74/29/24/800742924.db2.gz ZOOMGVIBNAEIAW-UHFFFAOYSA-N 1 3 309.404 2.429 20 0 DEADHO Cc1ccnc(N2CCN(CCC3CC[NH+](C)CC3)CC2)c1 ZINC001207483000 800764493 /nfs/dbraw/zinc/76/44/93/800764493.db2.gz BQTVPOMKZTXXGF-UHFFFAOYSA-N 1 3 302.466 2.244 20 0 DEADHO COc1ccc([C@@H](CN(C)C)NC(=O)CC[NH2+]C(C)(C)C)cc1 ZINC000935885861 800794851 /nfs/dbraw/zinc/79/48/51/800794851.db2.gz BWNSCIWGTDUVHQ-MRXNPFEDSA-N 1 3 321.465 2.192 20 0 DEADHO CN1CCC[C@@H](C[N@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)C1 ZINC001208606668 801029109 /nfs/dbraw/zinc/02/91/09/801029109.db2.gz GFMQZVHVUNGCIC-ZACQAIPSSA-N 1 3 319.518 2.454 20 0 DEADHO CN1CCC[C@@H](C[N@@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)C1 ZINC001208606668 801029114 /nfs/dbraw/zinc/02/91/14/801029114.db2.gz GFMQZVHVUNGCIC-ZACQAIPSSA-N 1 3 319.518 2.454 20 0 DEADHO CN1CC=C(Nc2ccc(OC3CC[NH+](C)CC3)cn2)CC1 ZINC001208801847 801072611 /nfs/dbraw/zinc/07/26/11/801072611.db2.gz AXIDOBXZGPBGGX-UHFFFAOYSA-N 1 3 302.422 2.186 20 0 DEADHO CC[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209659684 801248548 /nfs/dbraw/zinc/24/85/48/801248548.db2.gz HHFYYPUKUVMRSW-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1)N(C)C ZINC001209669577 801250096 /nfs/dbraw/zinc/25/00/96/801250096.db2.gz PQUHNYCKFSOSNI-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](F)CC[NH2+][C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001209690049 801255810 /nfs/dbraw/zinc/25/58/10/801255810.db2.gz NYALECCEWGBEBE-GJZGRUSLSA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001229933890 801338792 /nfs/dbraw/zinc/33/87/92/801338792.db2.gz YQTJJRFQFXYMJC-BPLDGKMQSA-N 1 3 306.454 2.324 20 0 DEADHO CCCN(C)CC(=O)NC1CC[NH+](CCCCCF)CC1 ZINC001230112887 801363181 /nfs/dbraw/zinc/36/31/81/801363181.db2.gz FQQPOKZZIUORKY-UHFFFAOYSA-N 1 3 301.450 2.049 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CCCC1CCC1 ZINC001214847500 801765607 /nfs/dbraw/zinc/76/56/07/801765607.db2.gz HKYORFUUPZFYQO-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO CCN1CC[C@@]2(C[N@H+](Cc3cc4cnccc4[nH]3)C[C@@H]2C)C1=O ZINC001232013333 801768744 /nfs/dbraw/zinc/76/87/44/801768744.db2.gz LKJZTPLJNIQJSR-UGSOOPFHSA-N 1 3 312.417 2.253 20 0 DEADHO CCN1CC[C@@]2(C[N@@H+](Cc3cc4cnccc4[nH]3)C[C@@H]2C)C1=O ZINC001232013333 801768747 /nfs/dbraw/zinc/76/87/47/801768747.db2.gz LKJZTPLJNIQJSR-UGSOOPFHSA-N 1 3 312.417 2.253 20 0 DEADHO CC[NH+](CC)C[C@@H]1CN(Cc2cc3c[nH]ccc-3n2)CCO1 ZINC001232017963 801769675 /nfs/dbraw/zinc/76/96/75/801769675.db2.gz CAMBLYMHBBHICL-MRXNPFEDSA-N 1 3 302.422 2.106 20 0 DEADHO CC[NH+](CC)C[C@@H]1CN(Cc2cc3cnccc3[nH]2)CCO1 ZINC001232017963 801769679 /nfs/dbraw/zinc/76/96/79/801769679.db2.gz CAMBLYMHBBHICL-MRXNPFEDSA-N 1 3 302.422 2.106 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CCCC1CCC1 ZINC001215541023 801873843 /nfs/dbraw/zinc/87/38/43/801873843.db2.gz VCPNKHQXPOCYMB-SOLBZPMBSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001215568426 801877326 /nfs/dbraw/zinc/87/73/26/801877326.db2.gz OYHWUMUWNMRHMM-HZPDHXFCSA-N 1 3 309.498 2.367 20 0 DEADHO NC[C@H]([NH3+])Cc1nnc(-c2cccc(Oc3ccccc3)c2)o1 ZINC001217726767 802106651 /nfs/dbraw/zinc/10/66/51/802106651.db2.gz MLLKMRNZARGVJR-CYBMUJFWSA-N 1 3 310.357 2.357 20 0 DEADHO c1ccc2c(c1)CNC[C@@H]2Oc1cccc(CN2CC[NH2+]CC2)c1 ZINC001218487491 802190118 /nfs/dbraw/zinc/19/01/18/802190118.db2.gz UPFHRLURFBHKSK-FQEVSTJZSA-N 1 3 323.440 2.315 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1nc(C2CC2)cs1 ZINC001218501171 802193395 /nfs/dbraw/zinc/19/33/95/802193395.db2.gz MFBUWRWQFNMNQF-LBPRGKRZSA-N 1 3 310.467 2.455 20 0 DEADHO N[C@H](C(=O)Nc1ncc(-c2ccccc2)s1)C1CC[NH2+]CC1 ZINC001218525267 802198045 /nfs/dbraw/zinc/19/80/45/802198045.db2.gz WOCWDYYLMAHAIT-AWEZNQCLSA-N 1 3 316.430 2.076 20 0 DEADHO N[C@H](CCC[NH3+])C(=O)Nc1cc(-c2ccc(Cl)s2)on1 ZINC001218785524 802240761 /nfs/dbraw/zinc/24/07/61/802240761.db2.gz VUITXNOMSSNWKM-SSDOTTSWSA-N 1 3 314.798 2.061 20 0 DEADHO Nc1ccc(-c2ccc(NC(=O)[C@@H](N)CCCC[NH3+])cc2)cc1 ZINC001218862567 802252410 /nfs/dbraw/zinc/25/24/10/802252410.db2.gz UKABGBFPXRMMLJ-KRWDZBQOSA-N 1 3 312.417 2.331 20 0 DEADHO CC(C)[C@@]1(C(=O)Nc2ccc3c(c2)CNCCO3)CCC[NH2+]C1 ZINC001219027994 802276005 /nfs/dbraw/zinc/27/60/05/802276005.db2.gz KKXOUPZLICKMHB-GOSISDBHSA-N 1 3 317.433 2.133 20 0 DEADHO C[C@@H](C[NH+](C)C)NC(=O)C[C@@H](N)c1ccc(Cl)cc1Cl ZINC001219916435 802390418 /nfs/dbraw/zinc/39/04/18/802390418.db2.gz VTLJEFKDNBKFQM-TVQRCGJNSA-N 1 3 318.248 2.450 20 0 DEADHO [NH3+][C@@H](CC1CCC1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC001219998851 802400159 /nfs/dbraw/zinc/40/01/59/802400159.db2.gz DAFXCQNZXXFPLJ-ZWKOTPCHSA-N 1 3 315.461 2.457 20 0 DEADHO N[C@@H](CC1CCC1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001219998851 802400163 /nfs/dbraw/zinc/40/01/63/802400163.db2.gz DAFXCQNZXXFPLJ-ZWKOTPCHSA-N 1 3 315.461 2.457 20 0 DEADHO [NH3+][C@@]12CC[C@@](NC(=O)c3csc([C@H]4CCCN4)n3)(C1)CCC2 ZINC001220780569 802497654 /nfs/dbraw/zinc/49/76/54/802497654.db2.gz HJPBPSDYKXICFT-XFBWCDHKSA-N 1 3 320.462 2.102 20 0 DEADHO CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]1CCC[C@@H](c2ccccc2)N1 ZINC001220859672 802505489 /nfs/dbraw/zinc/50/54/89/802505489.db2.gz JBRRFTRLBIJXDZ-JYJNAYRXSA-N 1 3 303.450 2.359 20 0 DEADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCc1nnc2ccccn21 ZINC000316334806 802507768 /nfs/dbraw/zinc/50/77/68/802507768.db2.gz CZWJQHQTMOUSNA-GJZGRUSLSA-N 1 3 301.438 2.172 20 0 DEADHO C[C@@H]([NH3+])c1cccc(C(=O)NC[C@@H]2Cc3ccccc3CN2)c1 ZINC001221401168 802566492 /nfs/dbraw/zinc/56/64/92/802566492.db2.gz WIGFIXOQCPWSHB-ACJLOTCBSA-N 1 3 309.413 2.151 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CCC3CC3)C[C@H]21 ZINC001221657320 802601640 /nfs/dbraw/zinc/60/16/40/802601640.db2.gz RKSHTCMNQCSIJT-HZPDHXFCSA-N 1 3 307.482 2.050 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CCC3CC3)C[C@H]21 ZINC001221657320 802601642 /nfs/dbraw/zinc/60/16/42/802601642.db2.gz RKSHTCMNQCSIJT-HZPDHXFCSA-N 1 3 307.482 2.050 20 0 DEADHO c1cc(CN2CCNC3(CC[NH2+]CC3)C2)n(Cc2ccccc2)c1 ZINC001222099801 802643728 /nfs/dbraw/zinc/64/37/28/802643728.db2.gz LDUAEPPWCYVBNU-UHFFFAOYSA-N 1 3 324.472 2.064 20 0 DEADHO CC[C@H](F)C[NH+]1CCC(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001223472970 802792706 /nfs/dbraw/zinc/79/27/06/802792706.db2.gz ZDDVWXNSGICAJD-HNNXBMFYSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@@H](F)CN1CCC(CNC(=O)CCCC[NH+](C)C)CC1 ZINC001225207249 802943425 /nfs/dbraw/zinc/94/34/25/802943425.db2.gz ONXZLWRVHZMZHP-MRXNPFEDSA-N 1 3 315.477 2.295 20 0 DEADHO C[NH+](C)[C@H](C(=O)NC1CCN(Cc2ccsc2)CC1)C1CC1 ZINC001227816645 803283812 /nfs/dbraw/zinc/28/38/12/803283812.db2.gz GOJQROKGYIQANJ-INIZCTEOSA-N 1 3 321.490 2.169 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1)N(C)C ZINC001228444552 803361213 /nfs/dbraw/zinc/36/12/13/803361213.db2.gz CSBWAMYDWZKWBT-BRWVUGGUSA-N 1 3 309.498 2.390 20 0 DEADHO CC[C@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001417842837 1167250038 /nfs/dbraw/zinc/25/00/38/1167250038.db2.gz RIGZMVUUNRDWHD-BBWFWOEESA-N 1 3 309.498 2.153 20 0 DEADHO CC[C@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001417842837 1167250044 /nfs/dbraw/zinc/25/00/44/1167250044.db2.gz RIGZMVUUNRDWHD-BBWFWOEESA-N 1 3 309.498 2.153 20 0 DEADHO C[C@H](F)CC[NH2+][C@@H](C)CCNC(=O)C(C)(C)N1CCCCC1 ZINC001418397736 1167626224 /nfs/dbraw/zinc/62/62/24/1167626224.db2.gz UQVZSGLQLUMUMJ-GJZGRUSLSA-N 1 3 315.477 2.483 20 0 DEADHO CN(C)C1(C(=O)NC[C@@H]([NH2+]CC2CCCC2)C2CC2)CCC1 ZINC001370174355 1149414449 /nfs/dbraw/zinc/41/44/49/1149414449.db2.gz ZXTRBEKBJALXEI-MRXNPFEDSA-N 1 3 307.482 2.145 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC(C)C)C1 ZINC001419560943 1168600588 /nfs/dbraw/zinc/60/05/88/1168600588.db2.gz AULZBIPZCMOMSY-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(C)cc2)CCC1)N(C)C ZINC001368497346 1148468115 /nfs/dbraw/zinc/46/81/15/1148468115.db2.gz XKSBRJGGAPVFTE-KRWDZBQOSA-N 1 3 317.477 2.464 20 0 DEADHO C[NH+](C)CCCCCCC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001604683837 1070465549 /nfs/dbraw/zinc/46/55/49/1070465549.db2.gz OKZUXOOWQLORED-UHFFFAOYSA-N 1 3 316.453 2.468 20 0 DEADHO C[NH+](C)CCCCCCC[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001604683837 1070465552 /nfs/dbraw/zinc/46/55/52/1070465552.db2.gz OKZUXOOWQLORED-UHFFFAOYSA-N 1 3 316.453 2.468 20 0 DEADHO Cc1ccc(F)cc1CN(C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001369011966 1148828080 /nfs/dbraw/zinc/82/80/80/1148828080.db2.gz XWRYXVHFIOXMJD-HUUCEWRRSA-N 1 3 321.440 2.022 20 0 DEADHO Cc1ccc(F)cc1CN(C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001369011966 1148828081 /nfs/dbraw/zinc/82/80/81/1148828081.db2.gz XWRYXVHFIOXMJD-HUUCEWRRSA-N 1 3 321.440 2.022 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1 ZINC001499954996 1058399495 /nfs/dbraw/zinc/39/94/95/1058399495.db2.gz LOILPIIHJRKNHP-KRWDZBQOSA-N 1 3 303.450 2.107 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+]CC(O)(C2CC2)C2CC2)CC1 ZINC001462431753 1058825937 /nfs/dbraw/zinc/82/59/37/1058825937.db2.gz BJPNUOBIJJEMIC-UHFFFAOYSA-N 1 3 322.493 2.161 20 0 DEADHO CC/C=C\CC[NH2+]CC[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001501648084 1059606760 /nfs/dbraw/zinc/60/67/60/1059606760.db2.gz ULWSRBVRNLLUDR-CWIOURORSA-N 1 3 307.482 2.267 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]C/C=C/Cl)CC1 ZINC001501722959 1059665891 /nfs/dbraw/zinc/66/58/91/1059665891.db2.gz LKWKCYWEPXTNNM-RXBBYBNFSA-N 1 3 315.889 2.344 20 0 DEADHO O=C(CCCC[NH+]1CCCC1)N1CCCC[C@@H]1CNCCF ZINC001501900660 1059765187 /nfs/dbraw/zinc/76/51/87/1059765187.db2.gz ISRUTIDTLSGGLB-MRXNPFEDSA-N 1 3 313.461 2.193 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC2([NH2+]Cc3ccsc3)CCC2)C1 ZINC001501999876 1059853451 /nfs/dbraw/zinc/85/34/51/1059853451.db2.gz LLQFEQPOYCAHQU-CQSZACIVSA-N 1 3 321.490 2.218 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)[N@H+](C)CC1CCCC1 ZINC001505975929 1061197509 /nfs/dbraw/zinc/19/75/09/1061197509.db2.gz BHIDODVLOWLAHB-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)[N@@H+](C)CC1CCCC1 ZINC001505975929 1061197520 /nfs/dbraw/zinc/19/75/20/1061197520.db2.gz BHIDODVLOWLAHB-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC(C)C)C1 ZINC001479368541 1061419424 /nfs/dbraw/zinc/41/94/24/1061419424.db2.gz JTROTDFSTRNDMW-ULQDDVLXSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN(C)C(C)C)C2)c(C)c1 ZINC001480173293 1062423553 /nfs/dbraw/zinc/42/35/53/1062423553.db2.gz DNFJDNDLQQFSBI-IYARVYRRSA-N 1 3 317.477 2.380 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001480263794 1062559936 /nfs/dbraw/zinc/55/99/36/1062559936.db2.gz WVPMYSYMAGWACB-INIZCTEOSA-N 1 3 321.440 2.106 20 0 DEADHO CCCCC[NH2+]C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001480287542 1062588701 /nfs/dbraw/zinc/58/87/01/1062588701.db2.gz ZEPRHUIAPJCLAK-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001480296513 1062601062 /nfs/dbraw/zinc/60/10/62/1062601062.db2.gz BRMOZXAXZVHEAJ-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CN(CC(=O)N1CCC[C@@H](C[NH2+]CC2CC2)C1)CC(C)(C)C ZINC001480296422 1062601467 /nfs/dbraw/zinc/60/14/67/1062601467.db2.gz WYVSIVBVGRHIFJ-INIZCTEOSA-N 1 3 309.498 2.203 20 0 DEADHO CCCCC[NH2+]C[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001480296466 1062601725 /nfs/dbraw/zinc/60/17/25/1062601725.db2.gz XGALHKPTYLXARE-IRXDYDNUSA-N 1 3 309.498 2.347 20 0 DEADHO CC(C)[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCC1CC1)N(C)C ZINC001480365894 1062720741 /nfs/dbraw/zinc/72/07/41/1062720741.db2.gz MXUMYYHXGVQOSI-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](CN(C)C(=O)C(C)(C)N1CCCCC1)[NH2+]CCC1CC1 ZINC001507074166 1062784919 /nfs/dbraw/zinc/78/49/19/1062784919.db2.gz SBVVIFGTMJQTKH-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001507127846 1062887630 /nfs/dbraw/zinc/88/76/30/1062887630.db2.gz RSULGSKAGNNPQG-GJZGRUSLSA-N 1 3 309.498 2.201 20 0 DEADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCc2ccsc2)C[C@@H]1C ZINC001507333228 1063111671 /nfs/dbraw/zinc/11/16/71/1063111671.db2.gz QZSSIEWLKJNBHM-DZGCQCFKSA-N 1 3 309.479 2.169 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCc2ccsc2)C[C@@H]1C ZINC001507333228 1063111679 /nfs/dbraw/zinc/11/16/79/1063111679.db2.gz QZSSIEWLKJNBHM-DZGCQCFKSA-N 1 3 309.479 2.169 20 0 DEADHO CN(CC(=O)N1CC[C@H](C[NH2+]C/C=C/Cl)C1)CC(C)(C)C ZINC001480664847 1063158671 /nfs/dbraw/zinc/15/86/71/1063158671.db2.gz FQXZVJAOHRBXND-HZRUHFOJSA-N 1 3 315.889 2.155 20 0 DEADHO CC[C@H](C(=O)N(C)C1CC([NH2+]CC2=CCCCC2)C1)N(C)C ZINC001508139601 1063578129 /nfs/dbraw/zinc/57/81/29/1063578129.db2.gz ATLCHGTXRXYPIR-OFLPRAFFSA-N 1 3 307.482 2.406 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+]CCN(C)C(=O)[C@H]2CCCN2C)c1 ZINC001493501721 1063835063 /nfs/dbraw/zinc/83/50/63/1063835063.db2.gz WZTQYDJAWWQEJF-NVXWUHKLSA-N 1 3 303.450 2.198 20 0 DEADHO CN(C)C1(C(=O)N(C)CC[NH2+]CCCCC(F)(F)F)CCC1 ZINC001567507344 1064230445 /nfs/dbraw/zinc/23/04/45/1064230445.db2.gz AZURLMVZYAEANW-UHFFFAOYSA-N 1 3 323.403 2.251 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CCC1CC1 ZINC001568197323 1064696992 /nfs/dbraw/zinc/69/69/92/1064696992.db2.gz RWINDRCBTSNICW-NVXWUHKLSA-N 1 3 309.498 2.391 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]C(C)C)C1 ZINC001495394168 1064877807 /nfs/dbraw/zinc/87/78/07/1064877807.db2.gz VYQNCAMTCUHSEH-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)NCc2ccc(CNC/C=C/Cl)cc2)C1 ZINC001495498570 1064946964 /nfs/dbraw/zinc/94/69/64/1064946964.db2.gz VMJXAZJYSSLIMK-FQCWITJCSA-N 1 3 321.852 2.097 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)NCc2ccc(CNC/C=C/Cl)cc2)C1 ZINC001495498570 1064946983 /nfs/dbraw/zinc/94/69/83/1064946983.db2.gz VMJXAZJYSSLIMK-FQCWITJCSA-N 1 3 321.852 2.097 20 0 DEADHO C[N@@H+]1CCC[C@H]1CCC(=O)NC/C=C/CNCCC(F)(F)F ZINC001568867020 1065166735 /nfs/dbraw/zinc/16/67/35/1065166735.db2.gz ZRPVWGYSWNCULS-IBUXWKBASA-N 1 3 321.387 2.075 20 0 DEADHO C[N@H+]1CCC[C@H]1CCC(=O)NC/C=C/CNCCC(F)(F)F ZINC001568867020 1065166743 /nfs/dbraw/zinc/16/67/43/1065166743.db2.gz ZRPVWGYSWNCULS-IBUXWKBASA-N 1 3 321.387 2.075 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C\CNC/C=C/Cl)C1 ZINC001568905497 1065184164 /nfs/dbraw/zinc/18/41/64/1065184164.db2.gz ZRZTUCAZLQWVIX-QCPDJIGKSA-N 1 3 313.873 2.123 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)NC/C=C\CNC/C=C/Cl)C1 ZINC001568905497 1065184168 /nfs/dbraw/zinc/18/41/68/1065184168.db2.gz ZRZTUCAZLQWVIX-QCPDJIGKSA-N 1 3 313.873 2.123 20 0 DEADHO Cc1cc(CNC/C=C\CNC(=O)[C@H](C(C)C)[NH+](C)C)cs1 ZINC001568953721 1065210149 /nfs/dbraw/zinc/21/01/49/1065210149.db2.gz GFUKYMMOGAAOIT-WLMCBFPDSA-N 1 3 323.506 2.405 20 0 DEADHO Cc1ccc(CC[NH2+]C[C@@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001568997316 1065234478 /nfs/dbraw/zinc/23/44/78/1065234478.db2.gz QJHOVTDWYLVLNQ-MRXNPFEDSA-N 1 3 317.477 2.116 20 0 DEADHO C[C@H](C[NH2+]CCC1CC1)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001569019192 1065243965 /nfs/dbraw/zinc/24/39/65/1065243965.db2.gz OMHWBSBQEWJDAR-CXAGYDPISA-N 1 3 313.461 2.093 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C/C=C\Cl)C1 ZINC001496870174 1065767995 /nfs/dbraw/zinc/76/79/95/1065767995.db2.gz RIQNFEKLEGNFBU-FEGLDZKKSA-N 1 3 313.873 2.004 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C/C=C\Cl)C1 ZINC001496870174 1065768005 /nfs/dbraw/zinc/76/80/05/1065768005.db2.gz RIQNFEKLEGNFBU-FEGLDZKKSA-N 1 3 313.873 2.004 20 0 DEADHO CCN(CC[NH2+]Cc1csc(C)c1)C(=O)[C@H]1CCCN1C ZINC001497362942 1066051764 /nfs/dbraw/zinc/05/17/64/1066051764.db2.gz WJXITUXJDZFTAN-OAHLLOKOSA-N 1 3 309.479 2.089 20 0 DEADHO CN(CC(=O)NC/C=C\C[NH2+]Cc1cccc(F)c1)C1CCC1 ZINC001497597305 1066183691 /nfs/dbraw/zinc/18/36/91/1066183691.db2.gz OHBWLGMIKNAOTG-IHWYPQMZSA-N 1 3 319.424 2.072 20 0 DEADHO CCCC[NH2+]C/C=C/CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001497681666 1066234683 /nfs/dbraw/zinc/23/46/83/1066234683.db2.gz SYAGFQAROXXHAV-IWAYRVGRSA-N 1 3 313.461 2.261 20 0 DEADHO C[C@](O)(CN[C@H]1C[C@H]([NH3+])C12CCOCC2)c1ccccc1Cl ZINC001576267094 1066541554 /nfs/dbraw/zinc/54/15/54/1066541554.db2.gz UYZGTGYQXCABPE-JYJNAYRXSA-N 1 3 324.852 2.034 20 0 DEADHO C[C@@H](C[N@H+](C)CCC1CCCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001498381559 1066668973 /nfs/dbraw/zinc/66/89/73/1066668973.db2.gz RDGWOVKCJBUYSQ-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](C[N@@H+](C)CCC1CCCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001498381559 1066668979 /nfs/dbraw/zinc/66/89/79/1066668979.db2.gz RDGWOVKCJBUYSQ-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1CN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1C1CCCC1 ZINC001576768283 1066684425 /nfs/dbraw/zinc/68/44/25/1066684425.db2.gz GMYUVLFQKCOZKJ-MGNMYUMUSA-N 1 3 319.493 2.382 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1ccco1 ZINC001577004214 1066744047 /nfs/dbraw/zinc/74/40/47/1066744047.db2.gz SBPSTMLUQKTFCK-XQLPTFJDSA-N 1 3 307.438 2.343 20 0 DEADHO CCC[C@@H](NCc1cc(C2C[NH2+]C2)no1)[C@H](O)c1ccccc1 ZINC001577366312 1066826276 /nfs/dbraw/zinc/82/62/76/1066826276.db2.gz YIVMTRBUZHVYDE-SJLPKXTDSA-N 1 3 315.417 2.353 20 0 DEADHO CCN(C(=O)c1cccc(CN2CCCC2)c1)C1CC[NH2+]CC1 ZINC001577646686 1066896219 /nfs/dbraw/zinc/89/62/19/1066896219.db2.gz XLVGVVOUROGSLP-UHFFFAOYSA-N 1 3 315.461 2.497 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001498861888 1066926430 /nfs/dbraw/zinc/92/64/30/1066926430.db2.gz NTWUBQDASVQEHF-KRWDZBQOSA-N 1 3 318.465 2.325 20 0 DEADHO CN(C)c1cccc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)n1 ZINC001578427012 1067098997 /nfs/dbraw/zinc/09/89/97/1067098997.db2.gz LEQNLSYSXGWBLU-OIISXLGYSA-N 1 3 318.465 2.008 20 0 DEADHO CN(C(=O)N[C@@H](CCC[NH3+])c1ccccc1)[C@H]1CCCN(C)C1 ZINC001578528508 1067124169 /nfs/dbraw/zinc/12/41/69/1067124169.db2.gz HGARZUKHNGUPQL-IRXDYDNUSA-N 1 3 318.465 2.202 20 0 DEADHO COCC[C@H](N)C[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC001579002311 1067219392 /nfs/dbraw/zinc/21/93/92/1067219392.db2.gz PYEXBGJSACBNPF-NWDGAFQWSA-N 1 3 315.820 2.011 20 0 DEADHO C[C@H](NC[C@H](O)CC[NH3+])c1cc(Cl)ccc1OC(F)F ZINC001579485866 1067352461 /nfs/dbraw/zinc/35/24/61/1067352461.db2.gz VCCKIVYNKRUVLC-WCBMZHEXSA-N 1 3 308.756 2.302 20 0 DEADHO Cc1cc([C@@H]2CCCCN2C[C@H]2C[C@]3(CC[NH2+]C3)CO2)n[nH]1 ZINC001579590757 1067377449 /nfs/dbraw/zinc/37/74/49/1067377449.db2.gz RRTLQQNTOULIKK-PVAVHDDUSA-N 1 3 304.438 2.014 20 0 DEADHO CN(C)C1(C(=O)N(C)CCC[NH2+]Cc2ccccc2F)CCC1 ZINC001483471331 1078554424 /nfs/dbraw/zinc/55/44/24/1078554424.db2.gz YLYGIFYYTQKKOO-UHFFFAOYSA-N 1 3 321.440 2.248 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CCC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001483512407 1078577200 /nfs/dbraw/zinc/57/72/00/1078577200.db2.gz YHKYWQJALHTQTE-ZACQAIPSSA-N 1 3 309.498 2.201 20 0 DEADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCN2CCCC(C)(C)C)C1 ZINC001483693658 1078814280 /nfs/dbraw/zinc/81/42/80/1078814280.db2.gz GBZVBCYTGVBCLV-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CCN2CCCC(C)(C)C)C1 ZINC001483693658 1078814287 /nfs/dbraw/zinc/81/42/87/1078814287.db2.gz GBZVBCYTGVBCLV-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1ccc(C[NH2+]CCN(C)C(=O)C2(N(C)C)CCC2)cc1C ZINC001267384433 1078819124 /nfs/dbraw/zinc/81/91/24/1078819124.db2.gz UQZFPJVXFKCKFC-UHFFFAOYSA-N 1 3 317.477 2.336 20 0 DEADHO CC[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)[C@@H](CC)CN1 ZINC001573721629 1069082103 /nfs/dbraw/zinc/08/21/03/1069082103.db2.gz ZMHNYPPNFOHZGU-YYIAUSFCSA-N 1 3 322.497 2.175 20 0 DEADHO CC[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)[C@@H](CC)CN1 ZINC001573721629 1069082104 /nfs/dbraw/zinc/08/21/04/1069082104.db2.gz ZMHNYPPNFOHZGU-YYIAUSFCSA-N 1 3 322.497 2.175 20 0 DEADHO C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@H](N)C(C)(C)C)CC1 ZINC001573883199 1069125051 /nfs/dbraw/zinc/12/50/51/1069125051.db2.gz QLZFJQYLVZUMAW-HNNXBMFYSA-N 1 3 307.438 2.076 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)CCCC[NH3+] ZINC001574159523 1069169146 /nfs/dbraw/zinc/16/91/46/1069169146.db2.gz UAFJSQPBNXPQNF-WBVHZDCISA-N 1 3 301.434 2.258 20 0 DEADHO CC[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)[C@@H]2c1ccccc1 ZINC001272438155 1078877248 /nfs/dbraw/zinc/87/72/48/1078877248.db2.gz XGWJDKPWIGEQRL-QGZVFWFLSA-N 1 3 315.461 2.234 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCCC2CCC2)C1 ZINC001272523497 1078948449 /nfs/dbraw/zinc/94/84/49/1078948449.db2.gz HWRMJTRHGVKRPV-QZTJIDSGSA-N 1 3 321.509 2.489 20 0 DEADHO N[C@@H](C(=O)N1C[C@H](CC[NH3+])c2ccccc21)C1CCCCC1 ZINC001548578785 1072695147 /nfs/dbraw/zinc/69/51/47/1072695147.db2.gz MFBVHBGCEZDGRW-WMLDXEAASA-N 1 3 301.434 2.373 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1(NC/C=C\Cl)CC1 ZINC001483745833 1078983591 /nfs/dbraw/zinc/98/35/91/1078983591.db2.gz IYILQYHASAELOM-VCDPDADVSA-N 1 3 313.873 2.098 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1(NC/C=C\Cl)CC1 ZINC001483745833 1078983598 /nfs/dbraw/zinc/98/35/98/1078983598.db2.gz IYILQYHASAELOM-VCDPDADVSA-N 1 3 313.873 2.098 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1C[N@H+](C)C[C@H]1c1ccccc1)N(C)C ZINC001549075399 1073006251 /nfs/dbraw/zinc/00/62/51/1073006251.db2.gz VMUHAYOLUZNOHO-OKZBNKHCSA-N 1 3 317.477 2.034 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1C[N@@H+](C)C[C@H]1c1ccccc1)N(C)C ZINC001549075399 1073006262 /nfs/dbraw/zinc/00/62/62/1073006262.db2.gz VMUHAYOLUZNOHO-OKZBNKHCSA-N 1 3 317.477 2.034 20 0 DEADHO COc1ccc(NC(=O)CC[N@@H+]2C[C@H]3CCC[C@]3(CN)C2)cc1 ZINC001549118148 1073031532 /nfs/dbraw/zinc/03/15/32/1073031532.db2.gz WMSUPVJJUQUZPB-KDOFPFPSSA-N 1 3 317.433 2.085 20 0 DEADHO COc1ccc(NC(=O)CC[N@H+]2C[C@H]3CCC[C@]3(CN)C2)cc1 ZINC001549118148 1073031543 /nfs/dbraw/zinc/03/15/43/1073031543.db2.gz WMSUPVJJUQUZPB-KDOFPFPSSA-N 1 3 317.433 2.085 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC001549296163 1073115597 /nfs/dbraw/zinc/11/55/97/1073115597.db2.gz JPFRCELRWPZTDA-CIRFHOKZSA-N 1 3 315.461 2.121 20 0 DEADHO CCn1nccc1[C@@H]1OCC[C@@H]1[NH2+]C1CCN(CC2CC2)CC1 ZINC001549373851 1073142494 /nfs/dbraw/zinc/14/24/94/1073142494.db2.gz GLEYMUODVKWESP-FUHWJXTLSA-N 1 3 318.465 2.197 20 0 DEADHO CC[N@H+](CCNC(=O)CN(C)C(C)C)C[C@@H]1CCC(F)(F)C1 ZINC001481019508 1079069783 /nfs/dbraw/zinc/06/97/83/1079069783.db2.gz VPBJXKPWHZCCKH-CQSZACIVSA-N 1 3 319.440 2.200 20 0 DEADHO CC[N@@H+](CCNC(=O)CN(C)C(C)C)C[C@@H]1CCC(F)(F)C1 ZINC001481019508 1079069797 /nfs/dbraw/zinc/06/97/97/1079069797.db2.gz VPBJXKPWHZCCKH-CQSZACIVSA-N 1 3 319.440 2.200 20 0 DEADHO Cc1cc(N2CC[C@H](N3CCN(C)CC3)C2)c2ccccc2[nH+]1 ZINC001549906848 1073327785 /nfs/dbraw/zinc/32/77/85/1073327785.db2.gz GFVUHKGPFSWLSI-INIZCTEOSA-N 1 3 310.445 2.369 20 0 DEADHO CCn1cc([C@@H]2OCC[C@@H]2C[N@@H+]2CC[C@@H]3[C@@H](CCN3C)C2)cn1 ZINC001550129730 1073446726 /nfs/dbraw/zinc/44/67/26/1073446726.db2.gz YQBCWKXDRWRETI-BURFUSLBSA-N 1 3 318.465 2.007 20 0 DEADHO CCn1cc([C@@H]2OCC[C@@H]2C[N@H+]2CC[C@@H]3[C@@H](CCN3C)C2)cn1 ZINC001550129730 1073446731 /nfs/dbraw/zinc/44/67/31/1073446731.db2.gz YQBCWKXDRWRETI-BURFUSLBSA-N 1 3 318.465 2.007 20 0 DEADHO CC(C)[NH+]1CCC(N[C@H]2CCC[C@@H]2Oc2cnn(C)c2)CC1 ZINC001550672222 1073790716 /nfs/dbraw/zinc/79/07/16/1073790716.db2.gz VYALPIBMWFCYGO-IRXDYDNUSA-N 1 3 306.454 2.182 20 0 DEADHO C[C@H](O)c1ncc(CN2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)s1 ZINC001551260317 1074138433 /nfs/dbraw/zinc/13/84/33/1074138433.db2.gz JZZLNMTVMVMPGE-FQUUOJAGSA-N 1 3 309.479 2.359 20 0 DEADHO C[NH2+][C@H](C)CCNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001649837118 1079251514 /nfs/dbraw/zinc/25/15/14/1079251514.db2.gz MHEIDHVTVAMIGN-HLLBOEOZSA-N 1 3 318.465 2.119 20 0 DEADHO C[NH+](C)[C@@H]1C[C@H](NC[C@H](O)CC[C@H](O)c2ccccc2)C1(C)C ZINC001646531857 1074472993 /nfs/dbraw/zinc/47/29/93/1074472993.db2.gz AMBLIHAMFVQAAG-VSZNYVQBSA-N 1 3 320.477 2.179 20 0 DEADHO CC(C)CN(C(=O)[C@@H]1C[C@@H]1C1CC[NH2+]CC1)C1CCN(C)CC1 ZINC001552161555 1074480300 /nfs/dbraw/zinc/48/03/00/1074480300.db2.gz WLJSFEQQEJZDQM-QZTJIDSGSA-N 1 3 321.509 2.201 20 0 DEADHO CCn1cc([C@@H]2OCC[C@@H]2C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)cn1 ZINC001552380440 1074560199 /nfs/dbraw/zinc/56/01/99/1074560199.db2.gz MTSWIXQVPIMJHR-VDHUWJSZSA-N 1 3 320.481 2.443 20 0 DEADHO CCn1cc([C@@H]2OCC[C@@H]2C[NH2+][C@H]2CCC[C@H](N(C)C)C2)cn1 ZINC001552380437 1074560394 /nfs/dbraw/zinc/56/03/94/1074560394.db2.gz MTSWIXQVPIMJHR-LAVFITLUSA-N 1 3 320.481 2.443 20 0 DEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCO[C@H]2c2nccn2C)C1 ZINC001552383278 1074561768 /nfs/dbraw/zinc/56/17/68/1074561768.db2.gz WJBVNFVAVRUOGB-YYIAUSFCSA-N 1 3 320.481 2.350 20 0 DEADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCCO[C@@H]2c2nccn2C)C1 ZINC001552530739 1074601895 /nfs/dbraw/zinc/60/18/95/1074601895.db2.gz ZKTFZLRRNSFDOP-ULQDDVLXSA-N 1 3 320.481 2.161 20 0 DEADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCO[C@@H]2c2nccn2C)C1 ZINC001552530739 1074601898 /nfs/dbraw/zinc/60/18/98/1074601898.db2.gz ZKTFZLRRNSFDOP-ULQDDVLXSA-N 1 3 320.481 2.161 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C[C@@H]2CCCO[C@@H]2c2nccn2C)C1 ZINC001552530739 1074601901 /nfs/dbraw/zinc/60/19/01/1074601901.db2.gz ZKTFZLRRNSFDOP-ULQDDVLXSA-N 1 3 320.481 2.161 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@@H]2CCCO[C@@H]2c2nccn2C)C1 ZINC001552530739 1074601902 /nfs/dbraw/zinc/60/19/02/1074601902.db2.gz ZKTFZLRRNSFDOP-ULQDDVLXSA-N 1 3 320.481 2.161 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@@H]2CCCCN2C)CC1 ZINC001646955093 1074724477 /nfs/dbraw/zinc/72/44/77/1074724477.db2.gz BTMURSDLOOUXMC-KRWDZBQOSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2CCCCN2C)CC1 ZINC001646955093 1074724486 /nfs/dbraw/zinc/72/44/86/1074724486.db2.gz BTMURSDLOOUXMC-KRWDZBQOSA-N 1 3 324.513 2.233 20 0 DEADHO COc1ccc(C[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(C)C)cc1 ZINC001647276043 1074866810 /nfs/dbraw/zinc/86/68/10/1074866810.db2.gz QMUWLYXCXHQSRM-NVXWUHKLSA-N 1 3 308.466 2.259 20 0 DEADHO COc1ccc(C[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(C)C)cc1 ZINC001647276043 1074866815 /nfs/dbraw/zinc/86/68/15/1074866815.db2.gz QMUWLYXCXHQSRM-NVXWUHKLSA-N 1 3 308.466 2.259 20 0 DEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001553485831 1074891272 /nfs/dbraw/zinc/89/12/72/1074891272.db2.gz BVSHQUNWSANUOI-CRAIPNDOSA-N 1 3 322.497 2.034 20 0 DEADHO CC[C@@H](C)N[C@H](CNC(=O)N1CCCC[C@@H]1C[NH3+])c1ccco1 ZINC001647393947 1074910652 /nfs/dbraw/zinc/91/06/52/1074910652.db2.gz JNQPJQFDKZMSRH-RBSFLKMASA-N 1 3 322.453 2.232 20 0 DEADHO Cc1n[nH]c(=O)c(CN[C@@H](CCC[NH3+])c2ccccc2)c1C ZINC001647437214 1074926967 /nfs/dbraw/zinc/92/69/67/1074926967.db2.gz DVMHTIVOWSLIID-INIZCTEOSA-N 1 3 300.406 2.369 20 0 DEADHO Cc1cnc2ccccc2c1N1C[C@@H](n2ccnn2)[C@H]([NH+](C)C)C1 ZINC001553807511 1074980828 /nfs/dbraw/zinc/98/08/28/1074980828.db2.gz ULRUHLUGRGBEFC-IAGOWNOFSA-N 1 3 322.416 2.126 20 0 DEADHO COCCN(C)CCC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001560264783 1075135402 /nfs/dbraw/zinc/13/54/02/1075135402.db2.gz OKRYDSZLEGSEKO-IEBWSBKVSA-N 1 3 319.493 2.065 20 0 DEADHO COCCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)cc1 ZINC001560622920 1075143767 /nfs/dbraw/zinc/14/37/67/1075143767.db2.gz OSPXCLBMKUSHAF-KBAYOESNSA-N 1 3 304.434 2.142 20 0 DEADHO CC(C)=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001565864051 1075200290 /nfs/dbraw/zinc/20/02/90/1075200290.db2.gz GIWXNIVXIFQMJF-ULQDDVLXSA-N 1 3 307.482 2.310 20 0 DEADHO CC(=O)OC[C@H](C)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001650077001 1079397342 /nfs/dbraw/zinc/39/73/42/1079397342.db2.gz RCCVCQFRGQVVKI-HNNXBMFYSA-N 1 3 320.433 2.202 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CCC(F)(F)F)N(C)C ZINC001566952194 1075397473 /nfs/dbraw/zinc/39/74/73/1075397473.db2.gz ZONYYIIVSFBVOK-STQMWFEESA-N 1 3 323.403 2.250 20 0 DEADHO C[C@@H](CCC[NH3+])[NH2+][C@H]1CCCCc2cc(-c3nnn[n-]3)ccc21 ZINC001589808783 1076518293 /nfs/dbraw/zinc/51/82/93/1076518293.db2.gz FKYZFMYVKGFWSC-LRDDRELGSA-N 1 3 314.437 2.351 20 0 DEADHO C[C@@H](CCC[NH3+])[NH2+][C@H]1CCCCc2cc(-c3nn[n-]n3)ccc21 ZINC001589808783 1076518297 /nfs/dbraw/zinc/51/82/97/1076518297.db2.gz FKYZFMYVKGFWSC-LRDDRELGSA-N 1 3 314.437 2.351 20 0 DEADHO CN(CC(=O)NC1(C[NH2+]C/C=C\Cl)CCCC1)C1CCC1 ZINC001267838565 1079527585 /nfs/dbraw/zinc/52/75/85/1079527585.db2.gz LXJLUXLFQCPMKG-YHYXMXQVSA-N 1 3 313.873 2.242 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)CN1C1CC1 ZINC001650340985 1079541929 /nfs/dbraw/zinc/54/19/29/1079541929.db2.gz JIKWOZVKTHNZAP-HZRXROBNSA-N 1 3 305.466 2.039 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001650348062 1079547789 /nfs/dbraw/zinc/54/77/89/1079547789.db2.gz JVQNAZMKLWHAPT-NRSFXHEJSA-N 1 3 315.461 2.141 20 0 DEADHO CC1([NH+]2CCC2)CCC(NC(=O)C2(N)CC3(CCC3)C2)CC1 ZINC001650397777 1079587967 /nfs/dbraw/zinc/58/79/67/1079587967.db2.gz IRNBILFQSOUMNJ-UHFFFAOYSA-N 1 3 305.466 2.171 20 0 DEADHO CC(C)=CC[NH+]1CCC(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001267948400 1079627263 /nfs/dbraw/zinc/62/72/63/1079627263.db2.gz CIYPUYMDZQHXQB-UHFFFAOYSA-N 1 3 318.465 2.445 20 0 DEADHO CC[C@H]([NH2+]CCN(C)C(=O)CN1CCCC1)c1ccc(F)cc1 ZINC001481315424 1079711242 /nfs/dbraw/zinc/71/12/42/1079711242.db2.gz ZTQFQLCZCDXWLC-KRWDZBQOSA-N 1 3 321.440 2.421 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H]1CCN(CCF)C1 ZINC001481449647 1079869986 /nfs/dbraw/zinc/86/99/86/1079869986.db2.gz GLEHDVIPJDUVGL-JKSUJKDBSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[C@H]1CCN(CCF)C1 ZINC001481449647 1079869993 /nfs/dbraw/zinc/86/99/93/1079869993.db2.gz GLEHDVIPJDUVGL-JKSUJKDBSA-N 1 3 313.461 2.047 20 0 DEADHO C[NH+](C)CCOc1ccc(CNCc2ccccc2CO)cc1 ZINC000067247790 1079882113 /nfs/dbraw/zinc/88/21/13/1079882113.db2.gz KBLIUYYXFOGCNK-UHFFFAOYSA-N 1 3 314.429 2.409 20 0 DEADHO CC(C)N1CCN(CCC[NH2+]C2([C@@H]3CCCO3)CCC2)CC1 ZINC001656524268 1080098770 /nfs/dbraw/zinc/09/87/70/1080098770.db2.gz VISKZFCKPKPNBE-KRWDZBQOSA-N 1 3 309.498 2.094 20 0 DEADHO CCCCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001268193801 1080180816 /nfs/dbraw/zinc/18/08/16/1080180816.db2.gz XGRQEBNXYUTING-ZBFHGGJFSA-N 1 3 306.454 2.359 20 0 DEADHO CC[NH+](CC)CCOCCNCc1c(C)nc2scc(C)n12 ZINC001657682799 1080181560 /nfs/dbraw/zinc/18/15/60/1080181560.db2.gz UNZKHDUSMQYIDX-UHFFFAOYSA-N 1 3 324.494 2.461 20 0 DEADHO CN(C)C1(C(=O)NCCC[N@H+](C)Cc2ccc(F)cc2)CCC1 ZINC001660170190 1080280193 /nfs/dbraw/zinc/28/01/93/1080280193.db2.gz IQMNADKFVZESOZ-UHFFFAOYSA-N 1 3 321.440 2.248 20 0 DEADHO CN(C)C1(C(=O)NCCC[N@@H+](C)Cc2ccc(F)cc2)CCC1 ZINC001660170190 1080280202 /nfs/dbraw/zinc/28/02/02/1080280202.db2.gz IQMNADKFVZESOZ-UHFFFAOYSA-N 1 3 321.440 2.248 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccccc1F)N(C)C ZINC001268374346 1080389792 /nfs/dbraw/zinc/38/97/92/1080389792.db2.gz JXGNIDOKINCBAW-CZUORRHYSA-N 1 3 309.429 2.150 20 0 DEADHO CN1C[C@@H]2CC[C@H]([NH2+]CCCc3ccc4c(c3)CCO4)[C@@H]2C1 ZINC001660929599 1080417439 /nfs/dbraw/zinc/41/74/39/1080417439.db2.gz XCBLUSVRNIUJIK-KSZLIROESA-N 1 3 300.446 2.484 20 0 DEADHO Cc1ccccc1C[NH2+]CC[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001268400062 1080426300 /nfs/dbraw/zinc/42/63/00/1080426300.db2.gz QADUZVPWNSMVSO-RDJZCZTQSA-N 1 3 317.477 2.321 20 0 DEADHO CC[N@H+](C)CCC(=O)N(C)[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001481748257 1080435613 /nfs/dbraw/zinc/43/56/13/1080435613.db2.gz OTSIANKVMRQDKG-SFHVURJKSA-N 1 3 317.477 2.370 20 0 DEADHO CC[N@@H+](C)CCC(=O)N(C)[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001481748257 1080435616 /nfs/dbraw/zinc/43/56/16/1080435616.db2.gz OTSIANKVMRQDKG-SFHVURJKSA-N 1 3 317.477 2.370 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccccc1C)N(C)C ZINC001268416067 1080450860 /nfs/dbraw/zinc/45/08/60/1080450860.db2.gz SBSICJPMDUVETH-NVXWUHKLSA-N 1 3 305.466 2.320 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCC(F)(F)F ZINC001268426236 1080457830 /nfs/dbraw/zinc/45/78/30/1080457830.db2.gz LRKIUOWIEALMBD-STQMWFEESA-N 1 3 323.403 2.298 20 0 DEADHO CC(C)[C@H](C(=O)NC/C=C/C[NH2+]CC1CCCCC1)N(C)C ZINC001268617788 1080894420 /nfs/dbraw/zinc/89/44/20/1080894420.db2.gz TXZKARNSYSUYEP-KBOKABMXSA-N 1 3 309.498 2.415 20 0 DEADHO C[C@@H](C[NH2+]C/C=C\Cl)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001268704469 1080942144 /nfs/dbraw/zinc/94/21/44/1080942144.db2.gz DSTLZWGZMXCKEW-YJXTXKHHSA-N 1 3 319.852 2.046 20 0 DEADHO CN(CCC[NH2+]CCC1CCCCC1)C(=O)[C@@H]1CCCN1C ZINC001268784282 1080990128 /nfs/dbraw/zinc/99/01/28/1080990128.db2.gz SJXDRWAWXKDAQJ-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CN(CCC[NH2+]CCC1CCCCC1)C(=O)[C@H]1CCCN1C ZINC001268784284 1080990231 /nfs/dbraw/zinc/99/02/31/1080990231.db2.gz SJXDRWAWXKDAQJ-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001268852302 1081020939 /nfs/dbraw/zinc/02/09/39/1081020939.db2.gz JHHAABBKXUSLJE-KRWDZBQOSA-N 1 3 323.456 2.412 20 0 DEADHO CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001268915573 1081046524 /nfs/dbraw/zinc/04/65/24/1081046524.db2.gz ODMFMEFMNMTAEV-KRWDZBQOSA-N 1 3 305.466 2.273 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CCC(F)(F)F ZINC001268961687 1081064228 /nfs/dbraw/zinc/06/42/28/1081064228.db2.gz FXGYRHINXFWACJ-ZDUSSCGKSA-N 1 3 323.403 2.251 20 0 DEADHO CC/C=C\CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001666829791 1081184751 /nfs/dbraw/zinc/18/47/51/1081184751.db2.gz UVYGFIAEOFPXQF-VGOKWCNXSA-N 1 3 319.493 2.361 20 0 DEADHO C[C@@H](C[NH2+]C/C=C/Cl)N(C)C(=O)CN(C)CC(C)(C)C ZINC001666993183 1081200715 /nfs/dbraw/zinc/20/07/15/1081200715.db2.gz ZMUNVTGUSSZNBS-GWJCSSMESA-N 1 3 303.878 2.153 20 0 DEADHO CCC/C=C/CCN1CC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001269330463 1081216210 /nfs/dbraw/zinc/21/62/10/1081216210.db2.gz DHNAIJNIEMNAJC-SDKBWNRFSA-N 1 3 307.482 2.265 20 0 DEADHO CCC/C=C/CCN1CC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001269330463 1081216212 /nfs/dbraw/zinc/21/62/12/1081216212.db2.gz DHNAIJNIEMNAJC-SDKBWNRFSA-N 1 3 307.482 2.265 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N2CCN(CC3CCCC3)CC2)CC[N@@H+]1C ZINC000949856798 1081217253 /nfs/dbraw/zinc/21/72/53/1081217253.db2.gz YTKRHGRENBEUGP-RDJZCZTQSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N2CCN(CC3CCCC3)CC2)CC[N@H+]1C ZINC000949856798 1081217258 /nfs/dbraw/zinc/21/72/58/1081217258.db2.gz YTKRHGRENBEUGP-RDJZCZTQSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001667175450 1081220517 /nfs/dbraw/zinc/22/05/17/1081220517.db2.gz HTTOJWPFKNIRTG-DOTOQJQBSA-N 1 3 307.482 2.264 20 0 DEADHO CCN(CC[NH2+]CCCF)C(=O)[C@H]1CCCCN1C(C)C ZINC001668575878 1081370007 /nfs/dbraw/zinc/37/00/07/1081370007.db2.gz WUGDRYOGBWZNJQ-OAHLLOKOSA-N 1 3 301.450 2.047 20 0 DEADHO CN(CCC[NH2+]Cc1cccc(Cl)c1)C(=O)[C@@H]1CCCN1C ZINC001670041971 1081492175 /nfs/dbraw/zinc/49/21/75/1081492175.db2.gz NSUXNFJCTIKVIX-INIZCTEOSA-N 1 3 323.868 2.372 20 0 DEADHO CN(CCC[NH2+]Cc1ccc(F)cc1)C(=O)[C@H]1CCCCN1C ZINC001670144814 1081498604 /nfs/dbraw/zinc/49/86/04/1081498604.db2.gz UFFPLYMVBVOSBD-QGZVFWFLSA-N 1 3 321.440 2.248 20 0 DEADHO CC(C)=CC[NH2+]C[C@@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001270737098 1081618604 /nfs/dbraw/zinc/61/86/04/1081618604.db2.gz FMLNAIZLTCOMPD-QGZVFWFLSA-N 1 3 307.482 2.265 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]CCC(F)(F)F)C1)N(C)C ZINC001672863295 1081713795 /nfs/dbraw/zinc/71/37/95/1081713795.db2.gz IYCIDFZXGSWLAT-STQMWFEESA-N 1 3 323.403 2.107 20 0 DEADHO CCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001672917605 1081721774 /nfs/dbraw/zinc/72/17/74/1081721774.db2.gz XVGUTGLWEIUAES-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCN1C1CCCCC1)CC2 ZINC001270916214 1081836015 /nfs/dbraw/zinc/83/60/15/1081836015.db2.gz ODFQOUCPUNJSSX-QGZVFWFLSA-N 1 3 319.493 2.338 20 0 DEADHO C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCN1C1CCCCC1)CC2 ZINC001270916214 1081836025 /nfs/dbraw/zinc/83/60/25/1081836025.db2.gz ODFQOUCPUNJSSX-QGZVFWFLSA-N 1 3 319.493 2.338 20 0 DEADHO CCCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001266379478 1082008851 /nfs/dbraw/zinc/00/88/51/1082008851.db2.gz IENARKLQTUKJLN-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001266451776 1082045878 /nfs/dbraw/zinc/04/58/78/1082045878.db2.gz GVDABJPHMSHULB-SJORKVTESA-N 1 3 307.482 2.217 20 0 DEADHO CC(C)=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001266451776 1082045886 /nfs/dbraw/zinc/04/58/86/1082045886.db2.gz GVDABJPHMSHULB-SJORKVTESA-N 1 3 307.482 2.217 20 0 DEADHO CCN(CC)CC(=O)N1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001271538324 1082075455 /nfs/dbraw/zinc/07/54/55/1082075455.db2.gz VTNLAUFZNWGDRT-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CCC/C=C/CCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001670646601 1082203751 /nfs/dbraw/zinc/20/37/51/1082203751.db2.gz XOTHBAATXFPREZ-ADFJPCRASA-N 1 3 307.482 2.264 20 0 DEADHO CCC/C=C/CCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001670646601 1082203756 /nfs/dbraw/zinc/20/37/56/1082203756.db2.gz XOTHBAATXFPREZ-ADFJPCRASA-N 1 3 307.482 2.264 20 0 DEADHO CC/C=C/CC[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001671308523 1082258712 /nfs/dbraw/zinc/25/87/12/1082258712.db2.gz HLBFQXVMZYOXNW-BDUNBXCCSA-N 1 3 307.482 2.408 20 0 DEADHO CN(CCNC(=O)CCC[NH+](C)C)[C@@H]1CCc2ccc(F)cc21 ZINC001480906907 1082478493 /nfs/dbraw/zinc/47/84/93/1082478493.db2.gz DQFKYRUJYWXHOB-QGZVFWFLSA-N 1 3 321.440 2.203 20 0 DEADHO Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)CN2CC[C@H](C)C2)cc1 ZINC001482871638 1082538831 /nfs/dbraw/zinc/53/88/31/1082538831.db2.gz QMBFYLCFMSWNQT-IRXDYDNUSA-N 1 3 317.477 2.321 20 0 DEADHO CC[C@H](C(=O)NC/C=C/C[NH2+]Cc1csc(C)c1)N(C)C ZINC001483022888 1082628891 /nfs/dbraw/zinc/62/88/91/1082628891.db2.gz LOZIMOKQUDMMHS-LQYUOIDQSA-N 1 3 309.479 2.159 20 0 DEADHO C[C@@H](NC[C@H](C)NC(=O)C1CC[NH+](C)CC1)c1ccccc1F ZINC001483264236 1083063612 /nfs/dbraw/zinc/06/36/12/1083063612.db2.gz QVWHZGALIXWOJO-UONOGXRCSA-N 1 3 321.440 2.323 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3ccccc3)C[C@H]21 ZINC001114998206 1083362647 /nfs/dbraw/zinc/36/26/47/1083362647.db2.gz PVNWBXJHMDDHCD-NWGLXNPWSA-N 1 3 315.461 2.136 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3ccccc3)C[C@H]21 ZINC001114998206 1083362654 /nfs/dbraw/zinc/36/26/54/1083362654.db2.gz PVNWBXJHMDDHCD-NWGLXNPWSA-N 1 3 315.461 2.136 20 0 DEADHO CC/C=C/CC[NH+]1CC([C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001276454244 1083445001 /nfs/dbraw/zinc/44/50/01/1083445001.db2.gz UZEMSXBIXODNFT-IVAPMYIESA-N 1 3 309.498 2.365 20 0 DEADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(C)C)CC2)N(C)C ZINC001107554518 1083477697 /nfs/dbraw/zinc/47/76/97/1083477697.db2.gz BTBQZRKRKOAKER-LZLYRXPVSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(C)C)CC2)N(C)C ZINC001107554518 1083477703 /nfs/dbraw/zinc/47/77/03/1083477703.db2.gz BTBQZRKRKOAKER-LZLYRXPVSA-N 1 3 309.498 2.343 20 0 DEADHO C[NH+](C)CCN1CCC12CN(CCCCc1ccccc1)C2 ZINC001276746590 1083586047 /nfs/dbraw/zinc/58/60/47/1083586047.db2.gz XTIDVCSJTSFOLF-UHFFFAOYSA-N 1 3 301.478 2.331 20 0 DEADHO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]C/C=C/Cl)C1)N1CCCCC1 ZINC001490888766 1083792404 /nfs/dbraw/zinc/79/24/04/1083792404.db2.gz GDTUXFASZFHFAU-IDKFRYLPSA-N 1 3 313.873 2.240 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001491080466 1084052997 /nfs/dbraw/zinc/05/29/97/1084052997.db2.gz OGGLYABURCPZRC-FRRDWIJNSA-N 1 3 321.387 2.050 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001491073498 1084054624 /nfs/dbraw/zinc/05/46/24/1084054624.db2.gz JUDCYMVCXNOVHS-IYBDPMFKSA-N 1 3 321.440 2.213 20 0 DEADHO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2CCCOc1ccccc1 ZINC001277879456 1084200206 /nfs/dbraw/zinc/20/02/06/1084200206.db2.gz YBEUYPIMBKQFBP-HDICACEKSA-N 1 3 317.477 2.166 20 0 DEADHO C[C@@H](CC[NH2+]Cc1ccccc1F)NC(=O)CN(C)C1CCC1 ZINC001272828772 1084325389 /nfs/dbraw/zinc/32/53/89/1084325389.db2.gz CYURIKFSTLKHEP-AWEZNQCLSA-N 1 3 321.440 2.294 20 0 DEADHO CCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCCN1CC ZINC001485836754 1084455329 /nfs/dbraw/zinc/45/53/29/1084455329.db2.gz HWGREVCCRNSNIJ-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO [NH3+]CCCCN1CCCn2cnc(COCc3ccco3)c2C1 ZINC001235572276 1084470137 /nfs/dbraw/zinc/47/01/37/1084470137.db2.gz CWHQAJUATIUOKH-UHFFFAOYSA-N 1 3 318.421 2.138 20 0 DEADHO CC1(CN2CCN(Cc3c(F)cccc3F)CC2)CC[NH2+]CC1 ZINC001236142706 1084620203 /nfs/dbraw/zinc/62/02/03/1084620203.db2.gz CGNVIZZFTZRDJT-UHFFFAOYSA-N 1 3 323.431 2.472 20 0 DEADHO CC(C)[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCC2)C12CCC2 ZINC001078695680 1084828041 /nfs/dbraw/zinc/82/80/41/1084828041.db2.gz PWIPPRQTSYLBFB-LSDHHAIUSA-N 1 3 307.482 2.286 20 0 DEADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001485945577 1085012570 /nfs/dbraw/zinc/01/25/70/1085012570.db2.gz XSNSWLJPNWMVBP-BBRMVZONSA-N 1 3 309.429 2.102 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2F)[C@H]1C ZINC001486095797 1085056640 /nfs/dbraw/zinc/05/66/40/1085056640.db2.gz NARANKHOMACLJJ-RHSMWYFYSA-N 1 3 321.440 2.245 20 0 DEADHO CC1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]CC2CC2)CC1 ZINC000960171155 1085136862 /nfs/dbraw/zinc/13/68/62/1085136862.db2.gz ZDSNDKVSFZKFFT-KRWDZBQOSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC001486234988 1085173185 /nfs/dbraw/zinc/17/31/85/1085173185.db2.gz PNFABYUWIJZZGC-OAHLLOKOSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]CC[C@@H](C)F)C(C)(C)C ZINC001486424485 1085298846 /nfs/dbraw/zinc/29/88/46/1085298846.db2.gz NPMUKDUZKHNNAG-ZIAGYGMSSA-N 1 3 303.466 2.195 20 0 DEADHO CCCN(C)CC(=O)NCC1=CC[N@H+](CC2CCCC2)CC1 ZINC001486519595 1085402465 /nfs/dbraw/zinc/40/24/65/1085402465.db2.gz QJGDOQQDZCKFHU-UHFFFAOYSA-N 1 3 307.482 2.267 20 0 DEADHO CCCN(C)CC(=O)NCC1=CC[N@@H+](CC2CCCC2)CC1 ZINC001486519595 1085402468 /nfs/dbraw/zinc/40/24/68/1085402468.db2.gz QJGDOQQDZCKFHU-UHFFFAOYSA-N 1 3 307.482 2.267 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCC1)C1CC1 ZINC000960685659 1085412787 /nfs/dbraw/zinc/41/27/87/1085412787.db2.gz UOIJKOZEVLPFHN-MSOLQXFVSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCC1)C1CC1 ZINC000960685659 1085412789 /nfs/dbraw/zinc/41/27/89/1085412789.db2.gz UOIJKOZEVLPFHN-MSOLQXFVSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCC1)C1CC1 ZINC000960685663 1085413864 /nfs/dbraw/zinc/41/38/64/1085413864.db2.gz UOIJKOZEVLPFHN-ROUUACIJSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCC1)C1CC1 ZINC000960685663 1085413871 /nfs/dbraw/zinc/41/38/71/1085413871.db2.gz UOIJKOZEVLPFHN-ROUUACIJSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccccc1)N(C)C ZINC000960715544 1085424681 /nfs/dbraw/zinc/42/46/81/1085424681.db2.gz CKZWNZXIQPXMEW-QZTJIDSGSA-N 1 3 317.477 2.450 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccccc1)N(C)C ZINC000960715544 1085424687 /nfs/dbraw/zinc/42/46/87/1085424687.db2.gz CKZWNZXIQPXMEW-QZTJIDSGSA-N 1 3 317.477 2.450 20 0 DEADHO C[N@@H+](Cc1ccccc1)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000961031569 1085544409 /nfs/dbraw/zinc/54/44/09/1085544409.db2.gz ZHGLSTXIAXDBJC-SFHVURJKSA-N 1 3 315.461 2.205 20 0 DEADHO C[N@H+](Cc1ccccc1)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000961031569 1085544416 /nfs/dbraw/zinc/54/44/16/1085544416.db2.gz ZHGLSTXIAXDBJC-SFHVURJKSA-N 1 3 315.461 2.205 20 0 DEADHO CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC000965345627 1085593874 /nfs/dbraw/zinc/59/38/74/1085593874.db2.gz BTDMJYXPXIOZPX-HVEGKCCWSA-N 1 3 307.482 2.286 20 0 DEADHO CC(C)[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961180347 1085626498 /nfs/dbraw/zinc/62/64/98/1085626498.db2.gz GOYKCWGVJLAFAJ-SJORKVTESA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961180347 1085626505 /nfs/dbraw/zinc/62/65/05/1085626505.db2.gz GOYKCWGVJLAFAJ-SJORKVTESA-N 1 3 321.509 2.440 20 0 DEADHO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCC3)C[C@H]21)N1CCCCCC1 ZINC000961937607 1085913415 /nfs/dbraw/zinc/91/34/15/1085913415.db2.gz ABZDFAZCKFZGRF-BGTYHANMSA-N 1 3 319.493 2.097 20 0 DEADHO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCC3)C[C@H]21)N1CCCCCC1 ZINC000961937607 1085913431 /nfs/dbraw/zinc/91/34/31/1085913431.db2.gz ABZDFAZCKFZGRF-BGTYHANMSA-N 1 3 319.493 2.097 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C1C[NH+](CCc2ccccc2)C1 ZINC001409958786 1086004350 /nfs/dbraw/zinc/00/43/50/1086004350.db2.gz AZPWUBHVAGZJPN-MRXNPFEDSA-N 1 3 317.477 2.006 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+]Cc1ccc(C)c(C)c1 ZINC001128534120 1086190387 /nfs/dbraw/zinc/19/03/87/1086190387.db2.gz WAQZABSGJBSSPU-QGZVFWFLSA-N 1 3 323.456 2.189 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963383910 1086437666 /nfs/dbraw/zinc/43/76/66/1086437666.db2.gz OVFNFNDLVOGRFB-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963383910 1086437671 /nfs/dbraw/zinc/43/76/71/1086437671.db2.gz OVFNFNDLVOGRFB-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC001079850827 1088475118 /nfs/dbraw/zinc/47/51/18/1088475118.db2.gz SKFPEDRMFNMFCS-OIISXLGYSA-N 1 3 307.482 2.240 20 0 DEADHO CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC001079850827 1088475123 /nfs/dbraw/zinc/47/51/23/1088475123.db2.gz SKFPEDRMFNMFCS-OIISXLGYSA-N 1 3 307.482 2.240 20 0 DEADHO CC[N@H+](CC1CCC1)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000957689393 1088551017 /nfs/dbraw/zinc/55/10/17/1088551017.db2.gz BUKKZZKTGMLRAR-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+](CC1CCC1)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000957689393 1088551032 /nfs/dbraw/zinc/55/10/32/1088551032.db2.gz BUKKZZKTGMLRAR-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)C1 ZINC001080021756 1088566605 /nfs/dbraw/zinc/56/66/05/1088566605.db2.gz PYHADXVBEOCHGW-ZACQAIPSSA-N 1 3 309.498 2.343 20 0 DEADHO CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)C1 ZINC001080021756 1088566616 /nfs/dbraw/zinc/56/66/16/1088566616.db2.gz PYHADXVBEOCHGW-ZACQAIPSSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1cc(CN2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)no1 ZINC001276310256 1088651029 /nfs/dbraw/zinc/65/10/29/1088651029.db2.gz AFZBQCUYFFETCB-IYBDPMFKSA-N 1 3 315.421 2.050 20 0 DEADHO Cc1cc(CN2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)no1 ZINC001276310256 1088651032 /nfs/dbraw/zinc/65/10/32/1088651032.db2.gz AFZBQCUYFFETCB-IYBDPMFKSA-N 1 3 315.421 2.050 20 0 DEADHO C[C@@H](F)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001080255225 1088741807 /nfs/dbraw/zinc/74/18/07/1088741807.db2.gz QRRPIBMKVNIJGS-RBSFLKMASA-N 1 3 313.461 2.045 20 0 DEADHO C[C@@H](F)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001080255225 1088741826 /nfs/dbraw/zinc/74/18/26/1088741826.db2.gz QRRPIBMKVNIJGS-RBSFLKMASA-N 1 3 313.461 2.045 20 0 DEADHO Cc1ncc(CN2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)s1 ZINC001276349087 1089199912 /nfs/dbraw/zinc/19/99/12/1089199912.db2.gz IVMJDFYFTHJSEC-UHFFFAOYSA-N 1 3 322.522 2.301 20 0 DEADHO Cc1ncc(CN2CCC3(CC[N@H+](CCN(C)C)C3)CC2)s1 ZINC001276349087 1089199918 /nfs/dbraw/zinc/19/99/18/1089199918.db2.gz IVMJDFYFTHJSEC-UHFFFAOYSA-N 1 3 322.522 2.301 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2cccs2)C1)N(C)C ZINC001082748422 1090056392 /nfs/dbraw/zinc/05/63/92/1090056392.db2.gz KZZMJTUAQJOLCX-BMFZPTHFSA-N 1 3 323.506 2.067 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CCC1CCCC1 ZINC001082742765 1090065483 /nfs/dbraw/zinc/06/54/83/1090065483.db2.gz QZSDIOFLRDYUNI-LZLYRXPVSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC001082766497 1090074131 /nfs/dbraw/zinc/07/41/31/1090074131.db2.gz AEBHRTJXEMGDFC-FSPWUOQZSA-N 1 3 324.428 2.076 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001084338399 1090270069 /nfs/dbraw/zinc/27/00/69/1090270069.db2.gz QGRPDWMQIDBQJY-KZNAEPCWSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001084338399 1090270075 /nfs/dbraw/zinc/27/00/75/1090270075.db2.gz QGRPDWMQIDBQJY-KZNAEPCWSA-N 1 3 321.509 2.438 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCC)[C@H]2C1 ZINC001084953620 1090543397 /nfs/dbraw/zinc/54/33/97/1090543397.db2.gz YUVOVVFUMGAUTJ-IKGGRYGDSA-N 1 3 307.482 2.194 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCC)[C@H]2C1 ZINC001084953620 1090543405 /nfs/dbraw/zinc/54/34/05/1090543405.db2.gz YUVOVVFUMGAUTJ-IKGGRYGDSA-N 1 3 307.482 2.194 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]21 ZINC001085025266 1090599553 /nfs/dbraw/zinc/59/95/53/1090599553.db2.gz NWWSLVGPOBDMDI-IXDOHACOSA-N 1 3 309.498 2.296 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]21 ZINC001085025266 1090599556 /nfs/dbraw/zinc/59/95/56/1090599556.db2.gz NWWSLVGPOBDMDI-IXDOHACOSA-N 1 3 309.498 2.296 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)NCc2ccsc2)CC[N@@H+]1C ZINC001410384586 1090602290 /nfs/dbraw/zinc/60/22/90/1090602290.db2.gz QDTODYNKQIKDGW-VNQPRFMTSA-N 1 3 323.506 2.415 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)NCc2ccsc2)CC[N@H+]1C ZINC001410384586 1090602291 /nfs/dbraw/zinc/60/22/91/1090602291.db2.gz QDTODYNKQIKDGW-VNQPRFMTSA-N 1 3 323.506 2.415 20 0 DEADHO CCN(CC[NH2+]CC1CCC(C)CC1)C(=O)[C@H]1CCCN1C ZINC001273298431 1090786394 /nfs/dbraw/zinc/78/63/94/1090786394.db2.gz PBDMVQNHOQSPAC-OFLPRAFFSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)NCc1ccsc1 ZINC001410480292 1091010417 /nfs/dbraw/zinc/01/04/17/1091010417.db2.gz DAHXEQZVHCBKNE-UONOGXRCSA-N 1 3 309.479 2.026 20 0 DEADHO C[C@@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)NCc1ccsc1 ZINC001410480292 1091010423 /nfs/dbraw/zinc/01/04/23/1091010423.db2.gz DAHXEQZVHCBKNE-UONOGXRCSA-N 1 3 309.479 2.026 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2)[C@H]1C ZINC001410873603 1091181160 /nfs/dbraw/zinc/18/11/60/1091181160.db2.gz VLDBVERXCGIHQN-WBVHZDCISA-N 1 3 303.450 2.107 20 0 DEADHO CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc1cc(C)ccc1C)N(C)C ZINC001274371095 1091210219 /nfs/dbraw/zinc/21/02/19/1091210219.db2.gz WEFSIHCXOMJYDM-DVBCCOPCSA-N 1 3 317.477 2.406 20 0 DEADHO C[C@H]([NH2+]C/C=C\CNC(=O)CN1CC[C@@H](C)C1)c1ccccc1 ZINC001274370616 1091210342 /nfs/dbraw/zinc/21/03/42/1091210342.db2.gz URJMCEYUKMSVLE-SEDCNLEPSA-N 1 3 315.461 2.351 20 0 DEADHO O=C(CC[NH+]1CCCCC1)NC/C=C\CNCc1ccsc1 ZINC001274608415 1091322516 /nfs/dbraw/zinc/32/25/16/1091322516.db2.gz FUMIJQKVQGUBJO-IHWYPQMZSA-N 1 3 321.490 2.386 20 0 DEADHO CN1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(C[NH+]3CCCC3)cc1)C2 ZINC001274877546 1091459410 /nfs/dbraw/zinc/45/94/10/1091459410.db2.gz JTJJXMURGUWXLT-AEFFLSMTSA-N 1 3 313.445 2.059 20 0 DEADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2CCc1ccc(F)c(F)c1 ZINC001274992843 1091508095 /nfs/dbraw/zinc/50/80/95/1091508095.db2.gz JBRKTUMIDQUPPS-ROUUACIJSA-N 1 3 323.431 2.218 20 0 DEADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2CCc1ccc(F)c(F)c1 ZINC001274992843 1091508098 /nfs/dbraw/zinc/50/80/98/1091508098.db2.gz JBRKTUMIDQUPPS-ROUUACIJSA-N 1 3 323.431 2.218 20 0 DEADHO CC[C@H](C(=O)N(C)CCC[NH2+]Cc1cccc(F)c1)N(C)C ZINC001276072502 1091509390 /nfs/dbraw/zinc/50/93/90/1091509390.db2.gz ZGQNEWKGTNAQGL-MRXNPFEDSA-N 1 3 309.429 2.104 20 0 DEADHO c1cn(CCN2CC3(C2)CC[NH+](CC2CCCC2)CC3)cn1 ZINC001275155002 1091588394 /nfs/dbraw/zinc/58/83/94/1091588394.db2.gz FXRQMLOTNSGCJD-UHFFFAOYSA-N 1 3 302.466 2.471 20 0 DEADHO CN(C)C(=O)CN1CCCC2(CC[NH+](Cc3ccco3)CC2)C1 ZINC001275233919 1091627974 /nfs/dbraw/zinc/62/79/74/1091627974.db2.gz DDDWDOGGWKCFBZ-UHFFFAOYSA-N 1 3 319.449 2.046 20 0 DEADHO CC[C@H](C(=O)NC1CC(C[NH2+]CC=C(Cl)Cl)C1)N(C)C ZINC001275251526 1091637126 /nfs/dbraw/zinc/63/71/26/1091637126.db2.gz VTVWAHUOHWZOBD-HTAVTVPLSA-N 1 3 322.280 2.130 20 0 DEADHO C[C@@H](C[NH2+]C/C=C/c1ccccc1)NC(=O)CN1CC[C@@H](C)C1 ZINC001275309622 1091663535 /nfs/dbraw/zinc/66/35/35/1091663535.db2.gz FYSDOWAJQCAYQU-BRBWODKKSA-N 1 3 315.461 2.136 20 0 DEADHO CCCC[C@@H](CC)COC[C@@H](O)CNC[C@H]1CCC[NH2+]C1 ZINC001245987614 1091688365 /nfs/dbraw/zinc/68/83/65/1091688365.db2.gz DBBNRTSEHXJXSF-IKGGRYGDSA-N 1 3 300.487 2.170 20 0 DEADHO Cc1cnccc1CN1CCC[C@@]2(CC[N@@H+](CCN(C)C)C2)C1 ZINC001276257009 1091748397 /nfs/dbraw/zinc/74/83/97/1091748397.db2.gz QSKRTVKQERXKGI-IBGZPJMESA-N 1 3 316.493 2.240 20 0 DEADHO Cc1cnccc1CN1CCC[C@@]2(CC[N@H+](CCN(C)C)C2)C1 ZINC001276257009 1091748405 /nfs/dbraw/zinc/74/84/05/1091748405.db2.gz QSKRTVKQERXKGI-IBGZPJMESA-N 1 3 316.493 2.240 20 0 DEADHO C[C@H](C[N@H+](C)CC1=CCCCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001275649552 1091942077 /nfs/dbraw/zinc/94/20/77/1091942077.db2.gz VZXGHGHMPVOGBT-JKSUJKDBSA-N 1 3 307.482 2.265 20 0 DEADHO C[C@H](C[N@@H+](C)CC1=CCCCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001275649552 1091942085 /nfs/dbraw/zinc/94/20/85/1091942085.db2.gz VZXGHGHMPVOGBT-JKSUJKDBSA-N 1 3 307.482 2.265 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCC[C@H](N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000948811953 1091950529 /nfs/dbraw/zinc/95/05/29/1091950529.db2.gz CIYLBDUPTBDOJK-HOCLYGCPSA-N 1 3 306.454 2.311 20 0 DEADHO CC[C@H](C)C[N@H+]1CCC[C@H](N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000948811953 1091950539 /nfs/dbraw/zinc/95/05/39/1091950539.db2.gz CIYLBDUPTBDOJK-HOCLYGCPSA-N 1 3 306.454 2.311 20 0 DEADHO Cc1c[nH]c(CN2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)n1 ZINC001275684518 1092000076 /nfs/dbraw/zinc/00/00/76/1092000076.db2.gz FUICOJOOCRXBTJ-IYBDPMFKSA-N 1 3 313.449 2.390 20 0 DEADHO Cc1c[nH]c(CN2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)n1 ZINC001275684518 1092000087 /nfs/dbraw/zinc/00/00/87/1092000087.db2.gz FUICOJOOCRXBTJ-IYBDPMFKSA-N 1 3 313.449 2.390 20 0 DEADHO CC[C@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)N1CCCC1 ZINC001488648865 1092658693 /nfs/dbraw/zinc/65/86/93/1092658693.db2.gz VVJZOCTUKNSEEV-JKSUJKDBSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C)C[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)N1CCCC1 ZINC001488648865 1092658701 /nfs/dbraw/zinc/65/87/01/1092658701.db2.gz VVJZOCTUKNSEEV-JKSUJKDBSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[N@H+](CC2CCCC2)C2CC2)C1 ZINC001490384873 1093335599 /nfs/dbraw/zinc/33/55/99/1093335599.db2.gz CGKVJRKADYEWML-MRXNPFEDSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[N@@H+](CC2CCCC2)C2CC2)C1 ZINC001490384873 1093335605 /nfs/dbraw/zinc/33/56/05/1093335605.db2.gz CGKVJRKADYEWML-MRXNPFEDSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@H+](C)C[C@H](C)N ZINC001236154264 1138334444 /nfs/dbraw/zinc/33/44/44/1138334444.db2.gz OOTVVKDCORBSBO-AYDFFVQHSA-N 1 3 316.486 2.427 20 0 DEADHO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@@H+](C)C[C@H](C)N ZINC001236154264 1138334447 /nfs/dbraw/zinc/33/44/47/1138334447.db2.gz OOTVVKDCORBSBO-AYDFFVQHSA-N 1 3 316.486 2.427 20 0 DEADHO CN(C)CCN(C(=O)NC1CCCCCC1)[C@@H]1CCC[NH2+]C1 ZINC001239307339 1139017700 /nfs/dbraw/zinc/01/77/00/1139017700.db2.gz ATOWCVSTDXAUNX-MRXNPFEDSA-N 1 3 310.486 2.034 20 0 DEADHO CN1CCN(Cc2ccc(-c3ccc4c(n3)CC[NH2+]C4)cc2)CC1 ZINC001240387800 1139355320 /nfs/dbraw/zinc/35/53/20/1139355320.db2.gz RFAWNZPKSAZECK-UHFFFAOYSA-N 1 3 322.456 2.142 20 0 DEADHO C[C@@H](F)CC[NH2+]CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001318873659 1140447303 /nfs/dbraw/zinc/44/73/03/1140447303.db2.gz BESLXDYJOKCJSH-GDBMZVCRSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)CN1C(=O)CN1CCCC1 ZINC001278422451 1140840610 /nfs/dbraw/zinc/84/06/10/1140840610.db2.gz CZKGYSNHGHWGJT-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[C@H](CC)COC[C@H](O)CNC[C@@H]1C[NH2+]CC[C@@H]1C ZINC001245981513 1140841668 /nfs/dbraw/zinc/84/16/68/1140841668.db2.gz HOBXHFUKJYZFEM-XLAORIBOSA-N 1 3 314.514 2.416 20 0 DEADHO C[C@@]1(C[NH3+])CCCCN(C[C@@H](O)COc2ccc(F)cc2)C1 ZINC001246018884 1140847496 /nfs/dbraw/zinc/84/74/96/1140847496.db2.gz CLOQSEGBWLSGGW-WBVHZDCISA-N 1 3 310.413 2.016 20 0 DEADHO O[C@]1(C[NH+]2CCC3(CCCc4ccccc43)CC2)CCCNC1 ZINC001246025249 1140849066 /nfs/dbraw/zinc/84/90/66/1140849066.db2.gz GVKOYRDXLMPLGP-HXUWFJFHSA-N 1 3 314.473 2.471 20 0 DEADHO C[C@H]1CC[C@H](NCCC2CCN(C(=O)C(C)(C)C)CC2)C[NH2+]1 ZINC001246257449 1140879076 /nfs/dbraw/zinc/87/90/76/1140879076.db2.gz SZRWPNWIWRYWCQ-HOCLYGCPSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1ccnc(C2(CN[C@@H]3CC[NH2+][C@@H](C)C3)CCOCC2)c1 ZINC001246389574 1140893071 /nfs/dbraw/zinc/89/30/71/1140893071.db2.gz OAYBGNXHDPVZOA-JKSUJKDBSA-N 1 3 303.450 2.168 20 0 DEADHO Cc1ccnc(C2(C[NH2+][C@@H]3CCN[C@@H](C)C3)CCOCC2)c1 ZINC001246389574 1140893072 /nfs/dbraw/zinc/89/30/72/1140893072.db2.gz OAYBGNXHDPVZOA-JKSUJKDBSA-N 1 3 303.450 2.168 20 0 DEADHO Cc1cccnc1C1(CN[C@@H]2CC[NH2+][C@H](C)C2)CCOCC1 ZINC001246436985 1140898674 /nfs/dbraw/zinc/89/86/74/1140898674.db2.gz CEVHXADFIQJTBX-HZPDHXFCSA-N 1 3 303.450 2.168 20 0 DEADHO Cc1cccnc1C1(C[NH2+][C@@H]2CCN[C@H](C)C2)CCOCC1 ZINC001246436985 1140898677 /nfs/dbraw/zinc/89/86/77/1140898677.db2.gz CEVHXADFIQJTBX-HZPDHXFCSA-N 1 3 303.450 2.168 20 0 DEADHO Cc1cccc(C2(CN[C@H]3CC[NH2+][C@@H](C)C3)CCOCC2)n1 ZINC001246441030 1140899363 /nfs/dbraw/zinc/89/93/63/1140899363.db2.gz XTDAXCQHUMSRCQ-HOTGVXAUSA-N 1 3 303.450 2.168 20 0 DEADHO Cc1cccc(C2(C[NH2+][C@H]3CCN[C@@H](C)C3)CCOCC2)n1 ZINC001246441030 1140899364 /nfs/dbraw/zinc/89/93/64/1140899364.db2.gz XTDAXCQHUMSRCQ-HOTGVXAUSA-N 1 3 303.450 2.168 20 0 DEADHO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CC12CNC2 ZINC001246442813 1140899721 /nfs/dbraw/zinc/89/97/21/1140899721.db2.gz DXGGPADOYBIVIG-ZWNOBZJWSA-N 1 3 300.324 2.468 20 0 DEADHO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](NC(=O)c3ccccc3)CC2)CCN1 ZINC001246446270 1140901764 /nfs/dbraw/zinc/90/17/64/1140901764.db2.gz LWZJOIMYYBJQFC-VDHUWJSZSA-N 1 3 315.461 2.458 20 0 DEADHO CC[C@H](C(=O)N(CC)CC[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001320768099 1140917125 /nfs/dbraw/zinc/91/71/25/1140917125.db2.gz WZIGLRBPJWSPNX-QGZVFWFLSA-N 1 3 323.456 2.412 20 0 DEADHO N[C@@H]1CCC[N@@H+]([C@H]2CCC(=O)N(Cc3ccccc3)CC2)CC1 ZINC001246545021 1140949287 /nfs/dbraw/zinc/94/92/87/1140949287.db2.gz JFBYYRATKMRWKO-MSOLQXFVSA-N 1 3 315.461 2.381 20 0 DEADHO N[C@@H]1CCC[N@H+]([C@H]2CCC(=O)N(Cc3ccccc3)CC2)CC1 ZINC001246545021 1140949300 /nfs/dbraw/zinc/94/93/00/1140949300.db2.gz JFBYYRATKMRWKO-MSOLQXFVSA-N 1 3 315.461 2.381 20 0 DEADHO C[C@@]1([NH3+])CCCN(C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC001246547236 1140949722 /nfs/dbraw/zinc/94/97/22/1140949722.db2.gz BWCOLDHGJVEPKE-LJQANCHMSA-N 1 3 315.461 2.495 20 0 DEADHO C[C@]1([NH3+])CCCN([C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001246548035 1140955942 /nfs/dbraw/zinc/95/59/42/1140955942.db2.gz FBZAVKFYJDOGKR-MJGOQNOKSA-N 1 3 315.461 2.495 20 0 DEADHO NC[C@H]1CCCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC001246595280 1140997482 /nfs/dbraw/zinc/99/74/82/1140997482.db2.gz TTYCCHMNQXPHNE-QGZVFWFLSA-N 1 3 302.466 2.107 20 0 DEADHO NC[C@H]1CCCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC001246595280 1140997492 /nfs/dbraw/zinc/99/74/92/1140997492.db2.gz TTYCCHMNQXPHNE-QGZVFWFLSA-N 1 3 302.466 2.107 20 0 DEADHO Cc1cccc(C)c1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCN1C ZINC001320996517 1141021678 /nfs/dbraw/zinc/02/16/78/1141021678.db2.gz FKUYFCRJTXCFLX-XDXAGZTOSA-N 1 3 315.461 2.160 20 0 DEADHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC1CCCCCC1 ZINC001320995926 1141022513 /nfs/dbraw/zinc/02/25/13/1141022513.db2.gz BAIQSLRAPOUBJQ-JTGQJZMRSA-N 1 3 307.482 2.313 20 0 DEADHO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3[C@@H]2CCN[C@H](C)C2)o1 ZINC001246700297 1141039015 /nfs/dbraw/zinc/03/90/15/1141039015.db2.gz CFQWKLSSLPOBIR-LFVTVUPYSA-N 1 3 303.450 2.377 20 0 DEADHO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3[C@@H]2CCN[C@H](C)C2)o1 ZINC001246700297 1141039024 /nfs/dbraw/zinc/03/90/24/1141039024.db2.gz CFQWKLSSLPOBIR-LFVTVUPYSA-N 1 3 303.450 2.377 20 0 DEADHO C[NH2+]CC[C@@H](C)N1CC[C@@]2(CC(=O)N(c3ccc(C)cc3)C2)C1 ZINC001246769200 1141053119 /nfs/dbraw/zinc/05/31/19/1141053119.db2.gz DYAZDRBZWXIAAO-VQIMIIECSA-N 1 3 315.461 2.422 20 0 DEADHO CN1CCC[C@@H](N(Cc2ccccc2F)[C@H]2CCC[NH2+]C2)C1 ZINC001246942106 1141150641 /nfs/dbraw/zinc/15/06/41/1141150641.db2.gz XJMNTTANRQPIFQ-DLBZAZTESA-N 1 3 305.441 2.474 20 0 DEADHO CCOC(=O)N1CCC[C@H](N2CC[C@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001247012420 1141245661 /nfs/dbraw/zinc/24/56/61/1141245661.db2.gz DJUQQFGTJZGUKX-OWCLPIDISA-N 1 3 309.454 2.071 20 0 DEADHO CC1(C)C[NH2+][C@@](C)(c2nc(-c3ccc4c(n3)CCNC4)no2)C1 ZINC001247788533 1141511711 /nfs/dbraw/zinc/51/17/11/1141511711.db2.gz SNWPZOZOTNVORT-QGZVFWFLSA-N 1 3 313.405 2.012 20 0 DEADHO CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1ccccc1F)N(C)C ZINC001322700294 1141686630 /nfs/dbraw/zinc/68/66/30/1141686630.db2.gz LGOWSSIBRAJTLG-INIZCTEOSA-N 1 3 309.429 2.104 20 0 DEADHO CC(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001278543161 1142050889 /nfs/dbraw/zinc/05/08/89/1142050889.db2.gz YPNGWGVSLRGQKA-SJLPKXTDSA-N 1 3 311.514 2.447 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCC2CC2)C1 ZINC001278582408 1142250971 /nfs/dbraw/zinc/25/09/71/1142250971.db2.gz LTKKYYOYGRMQLV-MJGOQNOKSA-N 1 3 321.509 2.489 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@H](O)COc1cccc(F)c1)C2 ZINC001250828733 1142329500 /nfs/dbraw/zinc/32/95/00/1142329500.db2.gz LAILXRQLJICDRA-NXOAAHMSSA-N 1 3 322.424 2.170 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@H](O)COc1cccc(F)c1)C2 ZINC001250828733 1142329511 /nfs/dbraw/zinc/32/95/11/1142329511.db2.gz LAILXRQLJICDRA-NXOAAHMSSA-N 1 3 322.424 2.170 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@@H](O)COc1cccc(F)c1)C2 ZINC001250828734 1142329671 /nfs/dbraw/zinc/32/96/71/1142329671.db2.gz LAILXRQLJICDRA-WCXIOVBPSA-N 1 3 322.424 2.170 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@@H](O)COc1cccc(F)c1)C2 ZINC001250828734 1142329679 /nfs/dbraw/zinc/32/96/79/1142329679.db2.gz LAILXRQLJICDRA-WCXIOVBPSA-N 1 3 322.424 2.170 20 0 DEADHO O[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)COc1ccccc1 ZINC001251248130 1142409482 /nfs/dbraw/zinc/40/94/82/1142409482.db2.gz ZXDZPJJSRIGSSS-GOSISDBHSA-N 1 3 318.461 2.423 20 0 DEADHO CC(C)N1CC[C@H]([NH2+]C[C@H](O)COc2ccc(F)cc2)[C@H](C)C1 ZINC001251953096 1142562640 /nfs/dbraw/zinc/56/26/40/1142562640.db2.gz RJCOSDOKYQAACR-HFTRVMKXSA-N 1 3 324.440 2.274 20 0 DEADHO CCCC[NH+](CCCC)CCCNCC1(O)CCOCC1 ZINC001252973466 1142835197 /nfs/dbraw/zinc/83/51/97/1142835197.db2.gz SQBBBCVTZWNXQF-UHFFFAOYSA-N 1 3 300.487 2.410 20 0 DEADHO CCN(CC)C[C@H](O)C[N@H+](C)CCCc1cccc(OC)c1 ZINC001253188464 1142851193 /nfs/dbraw/zinc/85/11/93/1142851193.db2.gz YZYBLAICTWENNC-QGZVFWFLSA-N 1 3 308.466 2.262 20 0 DEADHO CCN(CC)C[C@H](O)C[N@@H+](C)CCCc1cccc(OC)c1 ZINC001253188464 1142851194 /nfs/dbraw/zinc/85/11/94/1142851194.db2.gz YZYBLAICTWENNC-QGZVFWFLSA-N 1 3 308.466 2.262 20 0 DEADHO OC1(C[N@@H+]2CCC[C@@H]3C[C@@H]32)CCN(Cc2ccccc2)CC1 ZINC001254042914 1143031208 /nfs/dbraw/zinc/03/12/08/1143031208.db2.gz XJXZMPFFWAJANU-MSOLQXFVSA-N 1 3 300.446 2.498 20 0 DEADHO OC1(C[N@H+]2CCC[C@@H]3C[C@@H]32)CCN(Cc2ccccc2)CC1 ZINC001254042914 1143031214 /nfs/dbraw/zinc/03/12/14/1143031214.db2.gz XJXZMPFFWAJANU-MSOLQXFVSA-N 1 3 300.446 2.498 20 0 DEADHO CN1CCC[C@H]([NH2+]Cc2ccc(OCC3(C)COC3)nc2)CC1 ZINC001254511307 1143161960 /nfs/dbraw/zinc/16/19/60/1143161960.db2.gz YSLNZIUQYOOQGP-INIZCTEOSA-N 1 3 319.449 2.071 20 0 DEADHO CC(C)N(C)Cc1nn([C@@H]2CCC[N@H+](C)CC2)c2c1CCNC2 ZINC001254519205 1143183869 /nfs/dbraw/zinc/18/38/69/1143183869.db2.gz QPIGPQCSHYSORV-OAHLLOKOSA-N 1 3 319.497 2.026 20 0 DEADHO CC(C)N(C)Cc1nn([C@@H]2CCC[N@@H+](C)CC2)c2c1CCNC2 ZINC001254519205 1143183884 /nfs/dbraw/zinc/18/38/84/1143183884.db2.gz QPIGPQCSHYSORV-OAHLLOKOSA-N 1 3 319.497 2.026 20 0 DEADHO COc1cccnc1O[C@H]1CCC[N@@H+]([C@H]2CCCN(C)CC2)C1 ZINC001254532177 1143231605 /nfs/dbraw/zinc/23/16/05/1143231605.db2.gz QTHQVSMJGGWRKM-HOTGVXAUSA-N 1 3 319.449 2.418 20 0 DEADHO COc1cccnc1O[C@H]1CCC[N@H+]([C@H]2CCCN(C)CC2)C1 ZINC001254532177 1143231628 /nfs/dbraw/zinc/23/16/28/1143231628.db2.gz QTHQVSMJGGWRKM-HOTGVXAUSA-N 1 3 319.449 2.418 20 0 DEADHO CN1CCN(Cc2ccccc2C[NH2+]C2CCSCC2)CC1 ZINC001255081175 1143397487 /nfs/dbraw/zinc/39/74/87/1143397487.db2.gz SXOFYMCIWIZMSU-UHFFFAOYSA-N 1 3 319.518 2.419 20 0 DEADHO C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CCN([C@H]3CCSC3)C2)C1 ZINC001255284436 1143538549 /nfs/dbraw/zinc/53/85/49/1143538549.db2.gz LOLSCLOVLAMWQS-IXDOHACOSA-N 1 3 310.507 2.172 20 0 DEADHO C[N@H+]1C[C@H](COCC2CC2)[C@]2(CCN([C@H]3CCSC3)C2)C1 ZINC001255284436 1143538566 /nfs/dbraw/zinc/53/85/66/1143538566.db2.gz LOLSCLOVLAMWQS-IXDOHACOSA-N 1 3 310.507 2.172 20 0 DEADHO COc1cccc([C@H](CO)[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)c1 ZINC001255669486 1143800774 /nfs/dbraw/zinc/80/07/74/1143800774.db2.gz XBSICLFFAACZDH-MMNRESRNSA-N 1 3 304.434 2.334 20 0 DEADHO C[NH+](C)CCN1CCN([C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001255709753 1143803181 /nfs/dbraw/zinc/80/31/81/1143803181.db2.gz RWOOQPPSITVVJU-KBPBESRZSA-N 1 3 307.404 2.287 20 0 DEADHO CC[NH+](CC)CC[C@@H](C)N[C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC001255954412 1143816699 /nfs/dbraw/zinc/81/66/99/1143816699.db2.gz WMTSUHSMJWBCDW-HZPDHXFCSA-N 1 3 318.465 2.006 20 0 DEADHO C[C@@H]1C[C@@H](N[C@H]2CNC(=O)C2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001256536054 1143852507 /nfs/dbraw/zinc/85/25/07/1143852507.db2.gz FBHXJHAYSULTFE-PVAVHDDUSA-N 1 3 315.461 2.154 20 0 DEADHO C[C@@H]1C[C@@H](N[C@H]2CNC(=O)C2(C)C)CC[N@H+]1Cc1ccccc1 ZINC001256536054 1143852510 /nfs/dbraw/zinc/85/25/10/1143852510.db2.gz FBHXJHAYSULTFE-PVAVHDDUSA-N 1 3 315.461 2.154 20 0 DEADHO C[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)N3C)CC[C@@]1(O)C(F)(F)F ZINC001256622263 1143858181 /nfs/dbraw/zinc/85/81/81/1143858181.db2.gz GIFAJZASRIZLRR-MWWBDVBNSA-N 1 3 306.372 2.247 20 0 DEADHO C[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)N3C)CC[C@@]1(O)C(F)(F)F ZINC001256622263 1143858182 /nfs/dbraw/zinc/85/81/82/1143858182.db2.gz GIFAJZASRIZLRR-MWWBDVBNSA-N 1 3 306.372 2.247 20 0 DEADHO [NH3+]Cc1cnc2c(ccn2C2CCC(N3CCOCC3)CC2)c1 ZINC001256678472 1143861473 /nfs/dbraw/zinc/86/14/73/1143861473.db2.gz MSQODCXMPULPSU-UHFFFAOYSA-N 1 3 314.433 2.311 20 0 DEADHO C[NH+](C)CCN1CCN([C@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001256806659 1143867598 /nfs/dbraw/zinc/86/75/98/1143867598.db2.gz HZNRQBVTLKKZSM-RBUKOAKNSA-N 1 3 317.477 2.086 20 0 DEADHO CC(C)=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001279007318 1143896961 /nfs/dbraw/zinc/89/69/61/1143896961.db2.gz XVVJWNWOELJZAR-JKSUJKDBSA-N 1 3 307.482 2.264 20 0 DEADHO CN(C)C(=O)C1CC[NH+](C2CCN(C3CCCC3)CC2)CC1 ZINC001257350220 1143899084 /nfs/dbraw/zinc/89/90/84/1143899084.db2.gz AGIKYHDUMMORIH-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO CCOC(=O)CC1CCC([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)CC1 ZINC001258032306 1143968048 /nfs/dbraw/zinc/96/80/48/1143968048.db2.gz SRYJOSZUPCMQGF-GMRIPVOYSA-N 1 3 308.466 2.382 20 0 DEADHO CCOC(=O)CC1CCC([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)CC1 ZINC001258032306 1143968050 /nfs/dbraw/zinc/96/80/50/1143968050.db2.gz SRYJOSZUPCMQGF-GMRIPVOYSA-N 1 3 308.466 2.382 20 0 DEADHO CC[N@H+](C1CN(C)C1)C1CCN(CCc2ccccc2)CC1 ZINC001258148598 1143978169 /nfs/dbraw/zinc/97/81/69/1143978169.db2.gz PHOZJDJLLYNCNA-UHFFFAOYSA-N 1 3 301.478 2.329 20 0 DEADHO CC[N@@H+](C1CN(C)C1)C1CCN(CCc2ccccc2)CC1 ZINC001258148598 1143978170 /nfs/dbraw/zinc/97/81/70/1143978170.db2.gz PHOZJDJLLYNCNA-UHFFFAOYSA-N 1 3 301.478 2.329 20 0 DEADHO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])[C@@H](N[C@@H]2CCC(C)(C)C2)C1 ZINC001258599496 1144023866 /nfs/dbraw/zinc/02/38/66/1144023866.db2.gz CBKVVRJUMAHIBJ-MCIONIFRSA-N 1 3 311.470 2.491 20 0 DEADHO C[C@@H](Cc1cccnc1)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001258617338 1144025805 /nfs/dbraw/zinc/02/58/05/1144025805.db2.gz GQQXGVCYRIEBEJ-INIZCTEOSA-N 1 3 317.477 2.493 20 0 DEADHO CCC[NH+]1CCC(N2CCC3(CCN(CC)C3=O)CC2)CC1 ZINC001258777568 1144041395 /nfs/dbraw/zinc/04/13/95/1144041395.db2.gz YNWUJGZOXHELFK-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CC[NH+](CC)CCC[C@@H](C)N1CCN(c2cnccn2)CC1 ZINC001258907093 1144053346 /nfs/dbraw/zinc/05/33/46/1144053346.db2.gz FLVDQWHJFYIUSB-MRXNPFEDSA-N 1 3 305.470 2.109 20 0 DEADHO CN(C[C@@H]1CCN1CC1=CCCCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001263817171 1144399494 /nfs/dbraw/zinc/39/94/94/1144399494.db2.gz PHLHMJSORQAWBG-ROUUACIJSA-N 1 3 319.493 2.361 20 0 DEADHO CN(C[C@@H]1CCN1CC1=CCCCC1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001263817171 1144399498 /nfs/dbraw/zinc/39/94/98/1144399498.db2.gz PHLHMJSORQAWBG-ROUUACIJSA-N 1 3 319.493 2.361 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1CNCCF)[NH+](CC)CC ZINC001264000624 1144440242 /nfs/dbraw/zinc/44/02/42/1144440242.db2.gz XXPVRDQFUGKMES-PMPSAXMXSA-N 1 3 315.477 2.293 20 0 DEADHO CC[N@H+](CCCNC(=O)Cc1nc[nH]c1C)CC1CCCC1 ZINC001265143636 1144653946 /nfs/dbraw/zinc/65/39/46/1144653946.db2.gz NMGIFKBGIMMECS-UHFFFAOYSA-N 1 3 306.454 2.279 20 0 DEADHO CC[N@@H+](CCCNC(=O)Cc1nc[nH]c1C)CC1CCCC1 ZINC001265143636 1144653949 /nfs/dbraw/zinc/65/39/49/1144653949.db2.gz NMGIFKBGIMMECS-UHFFFAOYSA-N 1 3 306.454 2.279 20 0 DEADHO CN(C(=O)[C@H]1CCCN1C)C1CC[NH+](CCCCCF)CC1 ZINC001265189461 1144663640 /nfs/dbraw/zinc/66/36/40/1144663640.db2.gz PETAJFVKTIUFKC-MRXNPFEDSA-N 1 3 313.461 2.143 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001265964011 1144771214 /nfs/dbraw/zinc/77/12/14/1144771214.db2.gz PCJDWZPJJLGTDZ-ROUUACIJSA-N 1 3 319.493 2.409 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001266041526 1144798857 /nfs/dbraw/zinc/79/88/57/1144798857.db2.gz XEIYRZUDJCHJLM-LBPRGKRZSA-N 1 3 322.280 2.084 20 0 DEADHO CC/C=C/CC[NH+]1CC([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001282717127 1145141819 /nfs/dbraw/zinc/14/18/19/1145141819.db2.gz PXWSFBBEOYWKBG-LFAOLKIESA-N 1 3 307.482 2.264 20 0 DEADHO C[NH+](C)CC1CCN(CCOC(=O)Cc2ccccc2)CC1 ZINC001364321089 1145174444 /nfs/dbraw/zinc/17/44/44/1145174444.db2.gz HKJMWMMGMMFXIG-UHFFFAOYSA-N 1 3 304.434 2.046 20 0 DEADHO CC[N@H+](C)C[C@H](O)CN1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001364544185 1145330706 /nfs/dbraw/zinc/33/07/06/1145330706.db2.gz CUGURIZEOOSPCV-WMZOPIPTSA-N 1 3 306.450 2.102 20 0 DEADHO CC[N@@H+](C)C[C@H](O)CN1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001364544185 1145330712 /nfs/dbraw/zinc/33/07/12/1145330712.db2.gz CUGURIZEOOSPCV-WMZOPIPTSA-N 1 3 306.450 2.102 20 0 DEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CCCCN1C ZINC001365099409 1145801260 /nfs/dbraw/zinc/80/12/60/1145801260.db2.gz JNRPCQHEUQKTJC-YYIAUSFCSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CCCCN1C ZINC001365099409 1145801263 /nfs/dbraw/zinc/80/12/63/1145801263.db2.gz JNRPCQHEUQKTJC-YYIAUSFCSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)N1CCC[C@H](N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)C1=O ZINC001365348442 1145854403 /nfs/dbraw/zinc/85/44/03/1145854403.db2.gz ULOIINSJFADTSD-YTQUADARSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)N1CCC[C@H](N2C[C@]34C[N@@H+](C)C[C@@]3(C2)CCCC4)C1=O ZINC001365348442 1145854404 /nfs/dbraw/zinc/85/44/04/1145854404.db2.gz ULOIINSJFADTSD-YTQUADARSA-N 1 3 319.493 2.194 20 0 DEADHO COCC1(CC[NH2+]C2CCC(C)(N3CCOCC3)CC2)CC1 ZINC001365604106 1145904631 /nfs/dbraw/zinc/90/46/31/1145904631.db2.gz GAZGYXCAZHXDRB-UHFFFAOYSA-N 1 3 310.482 2.426 20 0 DEADHO CC[C@@H](C(=O)N(C)C1CC[NH+](CC2CCCC2)CC1)N(C)C ZINC001365928570 1146917102 /nfs/dbraw/zinc/91/71/02/1146917102.db2.gz BRMKDFMPDVVDRY-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)CCCF)C1 ZINC001491964801 1147023997 /nfs/dbraw/zinc/02/39/97/1147023997.db2.gz BNAZOWJFMXRHHC-JKSUJKDBSA-N 1 3 313.461 2.143 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCCF)C1 ZINC001491964801 1147024006 /nfs/dbraw/zinc/02/40/06/1147024006.db2.gz BNAZOWJFMXRHHC-JKSUJKDBSA-N 1 3 313.461 2.143 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]([NH2+]CC1CC2(CCC2)C1)C1CC1)N(C)C ZINC001366050990 1147028121 /nfs/dbraw/zinc/02/81/21/1147028121.db2.gz AYTDUGPCIPJDEZ-IRXDYDNUSA-N 1 3 321.509 2.391 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1F)C1CC1)N(C)C ZINC001366070521 1147038558 /nfs/dbraw/zinc/03/85/58/1147038558.db2.gz YAPNJKACXAGVCS-IAGOWNOFSA-N 1 3 321.440 2.150 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1)N(C)C ZINC001366159020 1147083971 /nfs/dbraw/zinc/08/39/71/1147083971.db2.gz JUIJNEDJVSDSFT-SJWGOKEGSA-N 1 3 321.440 2.464 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H](C)F)C1 ZINC001366163127 1147085742 /nfs/dbraw/zinc/08/57/42/1147085742.db2.gz SQMNEUIQSUAVBU-WCVJEAGWSA-N 1 3 313.461 2.234 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[C@@H]2CCC[N@@H+]2CCCF)C1 ZINC001492165536 1147108498 /nfs/dbraw/zinc/10/84/98/1147108498.db2.gz WVQSDYKBUDIHCS-JKSUJKDBSA-N 1 3 313.461 2.049 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[C@@H]2CCC[N@H+]2CCCF)C1 ZINC001492165536 1147108501 /nfs/dbraw/zinc/10/85/01/1147108501.db2.gz WVQSDYKBUDIHCS-JKSUJKDBSA-N 1 3 313.461 2.049 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001366226686 1147132656 /nfs/dbraw/zinc/13/26/56/1147132656.db2.gz NHNBOTHTNQERLU-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001366226686 1147132668 /nfs/dbraw/zinc/13/26/68/1147132668.db2.gz NHNBOTHTNQERLU-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001366327158 1147216747 /nfs/dbraw/zinc/21/67/47/1147216747.db2.gz TVIZMYFLBXPNDT-DOTOQJQBSA-N 1 3 305.466 2.176 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001366352732 1147229694 /nfs/dbraw/zinc/22/96/94/1147229694.db2.gz NNKCTRYEZBEFFU-XJKSGUPXSA-N 1 3 309.429 2.091 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC1CCC([NH2+]CCCF)CC1 ZINC001317218504 1147279091 /nfs/dbraw/zinc/27/90/91/1147279091.db2.gz TXEXLHZUAGUKIH-UYSNPLJNSA-N 1 3 313.461 2.236 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]C/C=C/Cl ZINC001366515864 1147321374 /nfs/dbraw/zinc/32/13/74/1147321374.db2.gz ZUTYIICQJLEODZ-YESVKVCSSA-N 1 3 301.862 2.098 20 0 DEADHO CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN1CCC(C)CC1 ZINC001316707468 1147370507 /nfs/dbraw/zinc/37/05/07/1147370507.db2.gz VINXBIHWWVPNKJ-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](c1ccc(Cl)cc1)N(C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001366587809 1147376169 /nfs/dbraw/zinc/37/61/69/1147376169.db2.gz RHGRKFLGRBSXMO-ZFWWWQNUSA-N 1 3 323.868 2.401 20 0 DEADHO C[C@@H](c1ccc(Cl)cc1)N(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001366587809 1147376175 /nfs/dbraw/zinc/37/61/75/1147376175.db2.gz RHGRKFLGRBSXMO-ZFWWWQNUSA-N 1 3 323.868 2.401 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCCC2CCC2)C1)N(C)C ZINC001367016900 1147633674 /nfs/dbraw/zinc/63/36/74/1147633674.db2.gz SECRLEKOJPNOHJ-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)C1)N(C)C ZINC001367016900 1147633676 /nfs/dbraw/zinc/63/36/76/1147633676.db2.gz SECRLEKOJPNOHJ-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+]CC[C@@H](C)F ZINC001317197349 1147674826 /nfs/dbraw/zinc/67/48/26/1147674826.db2.gz SLBMGQAKPURMEX-CABCVRRESA-N 1 3 301.450 2.047 20 0 DEADHO C[NH+](C)CCC(=O)N1CCCC[C@H]1CNCC=C(Cl)Cl ZINC001317193163 1147674022 /nfs/dbraw/zinc/67/40/22/1147674022.db2.gz SDAQJKWPEHCJOZ-LBPRGKRZSA-N 1 3 322.280 2.228 20 0 DEADHO CCC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001317211863 1147677588 /nfs/dbraw/zinc/67/75/88/1147677588.db2.gz JNCXWXWULBRKTD-KHHWNALNSA-N 1 3 319.493 2.264 20 0 DEADHO CCC/C=C/CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001317211863 1147677590 /nfs/dbraw/zinc/67/75/90/1147677590.db2.gz JNCXWXWULBRKTD-KHHWNALNSA-N 1 3 319.493 2.264 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2)[C@H](C)C1 ZINC001367437423 1147694282 /nfs/dbraw/zinc/69/42/82/1147694282.db2.gz HERBMLKQMDERAA-SJLPKXTDSA-N 1 3 317.477 2.353 20 0 DEADHO CC[C@H](C(=O)NC[C@H]([NH2+]Cc1ccccc1)C(C)C)N(C)C ZINC001367473434 1147699447 /nfs/dbraw/zinc/69/94/47/1147699447.db2.gz MUAASLDDBWZFSB-DLBZAZTESA-N 1 3 305.466 2.257 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[N@H+](C)[C@@H](C)c1ccccc1 ZINC001367545701 1147713893 /nfs/dbraw/zinc/71/38/93/1147713893.db2.gz HCQKAFMAVIOKIG-INIZCTEOSA-N 1 3 305.466 2.480 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001367545701 1147713894 /nfs/dbraw/zinc/71/38/94/1147713894.db2.gz HCQKAFMAVIOKIG-INIZCTEOSA-N 1 3 305.466 2.480 20 0 DEADHO Cc1ccc(F)c(CNC[C@@H](C)NC(=O)CCC[NH+](C)C)c1 ZINC001367693352 1147728224 /nfs/dbraw/zinc/72/82/24/1147728224.db2.gz YLAYRZCNXRMNBR-CQSZACIVSA-N 1 3 309.429 2.070 20 0 DEADHO Cc1cc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)cs1 ZINC001367753820 1147737669 /nfs/dbraw/zinc/73/76/69/1147737669.db2.gz ANNQHXDZEZAEPH-SWLSCSKDSA-N 1 3 311.495 2.237 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCC2CC2)[C@H](CC)C1 ZINC001367942088 1147794688 /nfs/dbraw/zinc/79/46/88/1147794688.db2.gz OTYIHWCTRISYKB-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]Cc2cccc(C)c2)CC1)N(C)C ZINC001368016929 1147829935 /nfs/dbraw/zinc/82/99/35/1147829935.db2.gz ZGTTXBKLSNGPDO-MRXNPFEDSA-N 1 3 303.450 2.074 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1([NH2+]CCC2CC2)CC1 ZINC001368030280 1147836066 /nfs/dbraw/zinc/83/60/66/1147836066.db2.gz KGGJOVBBKZUNEM-MRXNPFEDSA-N 1 3 307.482 2.288 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001326223824 1148060434 /nfs/dbraw/zinc/06/04/34/1148060434.db2.gz JTILKWVVBNFKJG-IRXDYDNUSA-N 1 3 307.482 2.099 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H](CC[NH2+]CCC3CC3)C2)CC1 ZINC001326398087 1148091517 /nfs/dbraw/zinc/09/15/17/1148091517.db2.gz LMQGFKRAVZSPNR-GOSISDBHSA-N 1 3 321.509 2.347 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC2CCCC2)C[C@@H]1C ZINC001368111877 1148238138 /nfs/dbraw/zinc/23/81/38/1148238138.db2.gz XRNTWDCMHXZGNX-RDJZCZTQSA-N 1 3 309.498 2.486 20 0 DEADHO CC[NH2+]C[C@]1(C)CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001368190883 1148317239 /nfs/dbraw/zinc/31/72/39/1148317239.db2.gz AUFGVWTZOSPEBE-IRXDYDNUSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@@H](C(=O)NC[C@@]1(C)CCC[N@H+](CC2CCC2)C1)N(C)C ZINC001368227811 1148343076 /nfs/dbraw/zinc/34/30/76/1148343076.db2.gz LCEQZFSLEUAUAZ-FUHWJXTLSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)NC[C@@]1(C)CCC[N@@H+](CC2CCC2)C1)N(C)C ZINC001368227811 1148343083 /nfs/dbraw/zinc/34/30/83/1148343083.db2.gz LCEQZFSLEUAUAZ-FUHWJXTLSA-N 1 3 309.498 2.345 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000416896776 282147806 /nfs/dbraw/zinc/14/78/06/282147806.db2.gz WOUBFHLNKPMIIJ-DLBZAZTESA-N 1 3 318.465 2.065 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000418184396 529449116 /nfs/dbraw/zinc/44/91/16/529449116.db2.gz PWLCMRYOSYTKOK-OFQRWUPVSA-N 1 3 306.454 2.023 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000417843421 529612948 /nfs/dbraw/zinc/61/29/48/529612948.db2.gz VNPSSLDLDWRPEH-RDTXWAMCSA-N 1 3 317.477 2.391 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418396481 529614693 /nfs/dbraw/zinc/61/46/93/529614693.db2.gz BDLRIXUOYOQHFM-DJIMGWMZSA-N 1 3 318.465 2.066 20 0 DEADHO Cc1ccc(F)c(CN2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000092615544 185328817 /nfs/dbraw/zinc/32/88/17/185328817.db2.gz CLHBMWVCVWPOMZ-UHFFFAOYSA-N 1 3 321.440 2.024 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)N(CC)CCC[NH+](C)C ZINC000189708861 282316411 /nfs/dbraw/zinc/31/64/11/282316411.db2.gz XNIIWQLQZOGYTN-INIZCTEOSA-N 1 3 312.502 2.234 20 0 DEADHO C[NH2+]CCC1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000418109050 529960536 /nfs/dbraw/zinc/96/05/36/529960536.db2.gz CEWUIGIIQVTQOA-QGZVFWFLSA-N 1 3 322.497 2.034 20 0 DEADHO C[NH2+]Cc1cccc(NC(=O)N(CCN(C)C)CC(C)C)c1 ZINC000415942225 530007665 /nfs/dbraw/zinc/00/76/65/530007665.db2.gz ISRFKALTZQPMMS-UHFFFAOYSA-N 1 3 306.454 2.458 20 0 DEADHO C[NH2+][C@@H]1CCCN(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)C1 ZINC000418366176 530043862 /nfs/dbraw/zinc/04/38/62/530043862.db2.gz YGRYETKNGQVSMY-SJORKVTESA-N 1 3 318.465 2.203 20 0 DEADHO CN1CCC(Oc2ccc(CNC3CC[NH2+]CC3)cc2)CC1 ZINC000423108664 530050867 /nfs/dbraw/zinc/05/08/67/530050867.db2.gz RLXTVUWAQMWXIQ-UHFFFAOYSA-N 1 3 303.450 2.001 20 0 DEADHO C[C@H](C(=O)NC1CC[NH+](CC2CC2)CC1)N1[C@H](C)CC[C@H]1C ZINC000245202604 282383551 /nfs/dbraw/zinc/38/35/51/282383551.db2.gz UMNFRLJOHGBVHD-RBSFLKMASA-N 1 3 307.482 2.238 20 0 DEADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H](N)CC2CCCCC2)C1 ZINC000423435028 282388873 /nfs/dbraw/zinc/38/88/73/282388873.db2.gz OJZPOTAYLXROKZ-ZWKOTPCHSA-N 1 3 321.509 2.474 20 0 DEADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H](N)CC2CCCCC2)C1 ZINC000423435028 282388874 /nfs/dbraw/zinc/38/88/74/282388874.db2.gz OJZPOTAYLXROKZ-ZWKOTPCHSA-N 1 3 321.509 2.474 20 0 DEADHO C[NH+](C)CC1CN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000615503279 362622105 /nfs/dbraw/zinc/62/21/05/362622105.db2.gz SZONIWBGEXZHKV-UHFFFAOYSA-N 1 3 315.461 2.306 20 0 DEADHO CCC[NH+]1CCC(NCCC(=O)NCc2ccccc2)CC1 ZINC000129175581 539489396 /nfs/dbraw/zinc/48/93/96/539489396.db2.gz SPOUSQYYJAGROQ-UHFFFAOYSA-N 1 3 303.450 2.157 20 0 DEADHO Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000151671758 539529845 /nfs/dbraw/zinc/52/98/45/539529845.db2.gz AZJOQMSVROEIKR-ZWKOTPCHSA-N 1 3 317.477 2.050 20 0 DEADHO C[C@@H]1CN(C(C)(C)CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H](C)O1 ZINC000166050138 539609045 /nfs/dbraw/zinc/60/90/45/539609045.db2.gz FHERPCSAGNIBPC-QBPKDAKJSA-N 1 3 309.498 2.091 20 0 DEADHO C[C@@H]1CN(C(C)(C)CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H](C)O1 ZINC000166050138 539609047 /nfs/dbraw/zinc/60/90/47/539609047.db2.gz FHERPCSAGNIBPC-QBPKDAKJSA-N 1 3 309.498 2.091 20 0 DEADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)[C@@H](C)OC)cc2)CC1 ZINC000268760754 186382148 /nfs/dbraw/zinc/38/21/48/186382148.db2.gz GXXKJCRDGAEMPV-DLBZAZTESA-N 1 3 319.493 2.337 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@]34C[C@@H]3CCC4)CC2)CC1 ZINC000617215913 363054873 /nfs/dbraw/zinc/05/48/73/363054873.db2.gz KRWVSZOZIMDWFG-LPHOPBHVSA-N 1 3 319.493 2.242 20 0 DEADHO C[C@H](NCCc1ccc(OCC[NH+](C)C)cc1)c1ncc[nH]1 ZINC000285947769 539826151 /nfs/dbraw/zinc/82/61/51/539826151.db2.gz FZXNXFGWCOETNF-AWEZNQCLSA-N 1 3 302.422 2.243 20 0 DEADHO CN(C)Cc1cccc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)c1 ZINC000315086664 539883686 /nfs/dbraw/zinc/88/36/86/539883686.db2.gz GUDNGVLLGPODCI-CQSZACIVSA-N 1 3 315.339 2.229 20 0 DEADHO C[C@@H](CN[C@@H](C)c1cccc(-n2cnnn2)c1)C[NH+]1CCCC1 ZINC000320493617 539896576 /nfs/dbraw/zinc/89/65/76/539896576.db2.gz BIXLYYSVUJBLNR-GJZGRUSLSA-N 1 3 314.437 2.045 20 0 DEADHO C[C@@H](C[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1)CN1CCCC1 ZINC000320493617 539896580 /nfs/dbraw/zinc/89/65/80/539896580.db2.gz BIXLYYSVUJBLNR-GJZGRUSLSA-N 1 3 314.437 2.045 20 0 DEADHO O=C(NCCN1CCCCCC1)c1cccn1C1CC[NH2+]CC1 ZINC000321096697 539898496 /nfs/dbraw/zinc/89/84/96/539898496.db2.gz LHORQOVGYOTLDG-UHFFFAOYSA-N 1 3 318.465 2.018 20 0 DEADHO C[C@H]1CCC[C@](CNC(=O)[C@H](N)Cc2ccccc2)([NH+](C)C)C1 ZINC000320656407 539896765 /nfs/dbraw/zinc/89/67/65/539896765.db2.gz PVABZRLGWMRYDV-WDYCEAGBSA-N 1 3 317.477 2.183 20 0 DEADHO CN(C)CCNC(=O)c1ccc(C[NH2+]C2CCCCC2)cc1 ZINC000174411325 198331707 /nfs/dbraw/zinc/33/17/07/198331707.db2.gz HRYKRLXSYOAHAL-UHFFFAOYSA-N 1 3 303.450 2.400 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000357917190 535233932 /nfs/dbraw/zinc/23/39/32/535233932.db2.gz KWQBHSUNKDKPFK-CABCVRRESA-N 1 3 310.486 2.056 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000357917190 535233938 /nfs/dbraw/zinc/23/39/38/535233938.db2.gz KWQBHSUNKDKPFK-CABCVRRESA-N 1 3 310.486 2.056 20 0 DEADHO COC1(C[C@H](C)[NH2+]Cc2ccncc2OCCN(C)C)CCC1 ZINC000343992018 540008932 /nfs/dbraw/zinc/00/89/32/540008932.db2.gz QQRUMCUXBYXWSJ-HNNXBMFYSA-N 1 3 321.465 2.459 20 0 DEADHO CCCN(C)CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063761448 354656126 /nfs/dbraw/zinc/65/61/26/354656126.db2.gz OKMNFJUZPHPKHX-UHFFFAOYSA-N 1 3 303.450 2.109 20 0 DEADHO C[C@@H](CNC(=O)NC1CCN(C2CC2)CC1)[NH+]1CCC(C)CC1 ZINC000065477169 354684476 /nfs/dbraw/zinc/68/44/76/354684476.db2.gz MDRLHGFYKVISLH-HNNXBMFYSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000073033965 354938050 /nfs/dbraw/zinc/93/80/50/354938050.db2.gz BZIMABYRYNDSGQ-YJBOKZPZSA-N 1 3 315.461 2.280 20 0 DEADHO CC(C)N1CCC([N@H+](C)C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000073895208 354990651 /nfs/dbraw/zinc/99/06/51/354990651.db2.gz KGKGKAZFVMTTRB-QGZVFWFLSA-N 1 3 324.440 2.370 20 0 DEADHO CC(C)N1CCC([N@@H+](C)C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000073895208 354990656 /nfs/dbraw/zinc/99/06/56/354990656.db2.gz KGKGKAZFVMTTRB-QGZVFWFLSA-N 1 3 324.440 2.370 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415572764 540160979 /nfs/dbraw/zinc/16/09/79/540160979.db2.gz NMXDYBFQQLTDAU-HUUCEWRRSA-N 1 3 304.438 2.182 20 0 DEADHO C[NH2+]CCN(C)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000417686509 540167524 /nfs/dbraw/zinc/16/75/24/540167524.db2.gz GSVLEWMPVYGNJS-HNNXBMFYSA-N 1 3 318.465 2.073 20 0 DEADHO C[C@@H]1CCC[C@@](CNC(=O)NC[C@@H]2CCCN(C)C2)([NH+](C)C)C1 ZINC000108561928 355737764 /nfs/dbraw/zinc/73/77/64/355737764.db2.gz LPJARNRFWJQXPY-SOLBZPMBSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)CCN1C ZINC000341157620 291075766 /nfs/dbraw/zinc/07/57/66/291075766.db2.gz IBPUTQBBWIUHPF-IRXDYDNUSA-N 1 3 324.513 2.425 20 0 DEADHO CCC[NH+]1CCC(NCCC(=O)Nc2ccc(C)cn2)CC1 ZINC000167076853 355976900 /nfs/dbraw/zinc/97/69/00/355976900.db2.gz UDBVCEWVJFSMBH-UHFFFAOYSA-N 1 3 304.438 2.183 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[C@@H](N)c2ccccc2)C1 ZINC000236872968 202045716 /nfs/dbraw/zinc/04/57/16/202045716.db2.gz HVISDKKDSVDMJP-YQQAZPJKSA-N 1 3 303.450 2.123 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[C@@H](N)c2ccccc2)C1 ZINC000236872968 202045719 /nfs/dbraw/zinc/04/57/19/202045719.db2.gz HVISDKKDSVDMJP-YQQAZPJKSA-N 1 3 303.450 2.123 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(CCN(C)C)Cc1cccs1 ZINC000423768151 283198304 /nfs/dbraw/zinc/19/83/04/283198304.db2.gz CSFAYHOHWXOVIX-CABCVRRESA-N 1 3 309.479 2.026 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C[C@@H](N)c1ccccc1 ZINC000237032102 202128820 /nfs/dbraw/zinc/12/88/20/202128820.db2.gz BFDLKSLCESHOKG-DLBZAZTESA-N 1 3 303.450 2.457 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)C[C@@H](N)c1ccccc1 ZINC000237032102 202128822 /nfs/dbraw/zinc/12/88/22/202128822.db2.gz BFDLKSLCESHOKG-DLBZAZTESA-N 1 3 303.450 2.457 20 0 DEADHO CN(C)C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000423783101 283200863 /nfs/dbraw/zinc/20/08/63/283200863.db2.gz ZVVRDDPMSLPEDP-FVQBIDKESA-N 1 3 323.868 2.434 20 0 DEADHO CN(CCCNC(=O)CCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000237066466 202141433 /nfs/dbraw/zinc/14/14/33/202141433.db2.gz QUZMRSCHYRTKPH-UHFFFAOYSA-N 1 3 317.477 2.405 20 0 DEADHO COCC(COC)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000384912122 356685941 /nfs/dbraw/zinc/68/59/41/356685941.db2.gz CDHNKMCXZIOAGW-NZSAHSFTSA-N 1 3 318.461 2.148 20 0 DEADHO COCC(C)(C)[NH+]1CCN(CCCCn2ccnc2C)CC1 ZINC000425506829 283211558 /nfs/dbraw/zinc/21/15/58/283211558.db2.gz PSBNHFYNDJKHBZ-UHFFFAOYSA-N 1 3 308.470 2.014 20 0 DEADHO C[NH2+]CCCC(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000237229681 202196878 /nfs/dbraw/zinc/19/68/78/202196878.db2.gz AADGBHVUKKENAJ-UHFFFAOYSA-N 1 3 304.438 2.131 20 0 DEADHO Cc1ccc(NC(=O)CCNCC2(C[NH+](C)C)CCCC2)nc1 ZINC000579229407 356942279 /nfs/dbraw/zinc/94/22/79/356942279.db2.gz WSLFWOKWPOTZNM-UHFFFAOYSA-N 1 3 318.465 2.430 20 0 DEADHO CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000360120166 283233906 /nfs/dbraw/zinc/23/39/06/283233906.db2.gz STDZHADFPMJJDP-HOTGVXAUSA-N 1 3 312.502 2.233 20 0 DEADHO COc1ccccc1-n1nccc1C[NH2+]C[C@@H]1CCCN(C)C1 ZINC000579665887 357010045 /nfs/dbraw/zinc/01/00/45/357010045.db2.gz PYUQHIRIVQRQQO-HNNXBMFYSA-N 1 3 314.433 2.312 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000581233477 357152157 /nfs/dbraw/zinc/15/21/57/357152157.db2.gz RJVWATFPDKVGQU-RBSFLKMASA-N 1 3 310.486 2.031 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000581233477 357152158 /nfs/dbraw/zinc/15/21/58/357152158.db2.gz RJVWATFPDKVGQU-RBSFLKMASA-N 1 3 310.486 2.031 20 0 DEADHO C[C@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)C1=CCN(C)CC1 ZINC000581544286 357203879 /nfs/dbraw/zinc/20/38/79/357203879.db2.gz VSBXMSUMKTVSMW-SUMWQHHRSA-N 1 3 308.853 2.483 20 0 DEADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H](C)[C@@H](C)O)CC2)c1 ZINC000581662039 357225371 /nfs/dbraw/zinc/22/53/71/357225371.db2.gz QTDHOWHPMLOTDY-ZWKOTPCHSA-N 1 3 319.493 2.256 20 0 DEADHO C[C@@H]([NH3+])[C@H]1CCCN(CCC(=O)NCc2ccccc2Cl)C1 ZINC000430543373 283255231 /nfs/dbraw/zinc/25/52/31/283255231.db2.gz MPDWENHTPQCILZ-HIFRSBDPSA-N 1 3 323.868 2.406 20 0 DEADHO CN1CCN(CCCC[NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000589640308 357485803 /nfs/dbraw/zinc/48/58/03/357485803.db2.gz IIRIWIVGOQEYSC-UHFFFAOYSA-N 1 3 300.450 2.285 20 0 DEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C12CCCN1CCC2 ZINC000452347001 283287921 /nfs/dbraw/zinc/28/79/21/283287921.db2.gz YIVAMLXXBAGRBD-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000592443450 357877039 /nfs/dbraw/zinc/87/70/39/357877039.db2.gz VKIWELDNNUZSDK-SFHVURJKSA-N 1 3 317.477 2.357 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000592443450 357877043 /nfs/dbraw/zinc/87/70/43/357877043.db2.gz VKIWELDNNUZSDK-SFHVURJKSA-N 1 3 317.477 2.357 20 0 DEADHO C[C@H]1C[C@H](NC(=O)CC2(C[NH3+])CC2)CCN1Cc1ccccc1 ZINC000423373040 291133880 /nfs/dbraw/zinc/13/38/80/291133880.db2.gz GXUZBPYHWUWDFE-DOTOQJQBSA-N 1 3 315.461 2.285 20 0 DEADHO C[NH+](C)CCOc1cccc(CN[C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000667791056 540527500 /nfs/dbraw/zinc/52/75/00/540527500.db2.gz CHAIVWGNXFQEDC-WMZOPIPTSA-N 1 3 304.434 2.284 20 0 DEADHO CN1CCC(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)(N2CCCCC2)CC1 ZINC000667880669 540544000 /nfs/dbraw/zinc/54/40/00/540544000.db2.gz XUOZQUWYIYPWDX-ROUUACIJSA-N 1 3 321.509 2.094 20 0 DEADHO C[C@]1(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CCC[NH2+]C1 ZINC000237565989 202286582 /nfs/dbraw/zinc/28/65/82/202286582.db2.gz ZRJBSINTNINQSB-MJGOQNOKSA-N 1 3 315.461 2.157 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000601346416 360013600 /nfs/dbraw/zinc/01/36/00/360013600.db2.gz KYVXQBQVBYVJRY-JKSUJKDBSA-N 1 3 310.486 2.033 20 0 DEADHO Cc1ccc(C[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1Cl ZINC000443986347 238133526 /nfs/dbraw/zinc/13/35/26/238133526.db2.gz WANIIEQZCJEMHW-HNNXBMFYSA-N 1 3 323.868 2.325 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)C1CC[NH+](C)CC1)N1CCCCC1 ZINC000603315805 360789520 /nfs/dbraw/zinc/78/95/20/360789520.db2.gz BMVAIOWDUPAHHI-DOTOQJQBSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NC/C=C\C[NH3+])CC1 ZINC000669486951 540842485 /nfs/dbraw/zinc/84/24/85/540842485.db2.gz YUFPMWQGAVCMEZ-IYKSTZQJSA-N 1 3 316.449 2.026 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000604748803 360930391 /nfs/dbraw/zinc/93/03/91/360930391.db2.gz YUTCLZAWASTANW-RDJZCZTQSA-N 1 3 315.461 2.280 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000604748803 360930395 /nfs/dbraw/zinc/93/03/95/360930395.db2.gz YUTCLZAWASTANW-RDJZCZTQSA-N 1 3 315.461 2.280 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc2cccc(F)c2o1 ZINC000607901941 361124820 /nfs/dbraw/zinc/12/48/20/361124820.db2.gz LSAPRVGSJCGGGA-UHFFFAOYSA-N 1 3 321.396 2.137 20 0 DEADHO C[C@@H]([NH3+])CCC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000193303473 201025063 /nfs/dbraw/zinc/02/50/63/201025063.db2.gz JESFGXOREQXFTQ-NVXWUHKLSA-N 1 3 303.450 2.285 20 0 DEADHO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC1=CCN(C)CC1 ZINC000271872485 209284934 /nfs/dbraw/zinc/28/49/34/209284934.db2.gz NAFRHNLOVRCZDR-LBPRGKRZSA-N 1 3 322.840 2.304 20 0 DEADHO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCOCCN(C)C)c1C ZINC000447597852 239034864 /nfs/dbraw/zinc/03/48/64/239034864.db2.gz GECIIWISXVBWBC-OAHLLOKOSA-N 1 3 321.465 2.188 20 0 DEADHO O=C(N[C@H]1CCN(CC2CC2)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000673962851 541167522 /nfs/dbraw/zinc/16/75/22/541167522.db2.gz NEIVKBKMHXJSKM-SJORKVTESA-N 1 3 319.493 2.242 20 0 DEADHO O=C(N[C@H]1CCN(CC2CC2)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000673962851 541167526 /nfs/dbraw/zinc/16/75/26/541167526.db2.gz NEIVKBKMHXJSKM-SJORKVTESA-N 1 3 319.493 2.242 20 0 DEADHO COc1cc(CNCC2=CC[N@H+](C)CC2)cc(OC)c1OC ZINC000271851393 209268303 /nfs/dbraw/zinc/26/83/03/209268303.db2.gz TVLXIYJUEJQWFW-UHFFFAOYSA-N 1 3 306.406 2.064 20 0 DEADHO COc1cc(CNCC2=CC[N@@H+](C)CC2)cc(OC)c1OC ZINC000271851393 209268304 /nfs/dbraw/zinc/26/83/04/209268304.db2.gz TVLXIYJUEJQWFW-UHFFFAOYSA-N 1 3 306.406 2.064 20 0 DEADHO CC[C@@H](CN1CCCC1)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000675196891 541301316 /nfs/dbraw/zinc/30/13/16/541301316.db2.gz HUPUOYXXUMKQCZ-DLBZAZTESA-N 1 3 322.497 2.131 20 0 DEADHO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1cccc(CN3CCCC3)c1)C2 ZINC000621695525 364512237 /nfs/dbraw/zinc/51/22/37/364512237.db2.gz WNAFARNZQYTZSS-HKUYNNGSSA-N 1 3 313.445 2.236 20 0 DEADHO O[C@@H]1CCC[C@H]1[NH+]1CCC(NCc2cccc3n[nH]cc32)CC1 ZINC000623453564 365034744 /nfs/dbraw/zinc/03/47/44/365034744.db2.gz VFPYCHIZACJBDM-QZTJIDSGSA-N 1 3 314.433 2.030 20 0 DEADHO C[NH+]1CCC(CCNC(=O)NC[C@H]2CCN2C2CCCC2)CC1 ZINC000623720318 365146653 /nfs/dbraw/zinc/14/66/53/365146653.db2.gz CEEXPKQEAOCSTM-QGZVFWFLSA-N 1 3 322.497 2.034 20 0 DEADHO Cc1csc([C@@H](C)NCC2CC[NH+](CCN(C)C)CC2)n1 ZINC000623887918 365212227 /nfs/dbraw/zinc/21/22/27/365212227.db2.gz QYYGNRGGBFSHMA-CQSZACIVSA-N 1 3 310.511 2.376 20 0 DEADHO C[C@@H](NC(=O)NCC[C@H]1CCC[NH2+]1)[C@H](c1ccccc1)N(C)C ZINC000418183598 296080994 /nfs/dbraw/zinc/08/09/94/296080994.db2.gz OMMSJUHNPQVBHV-DJIMGWMZSA-N 1 3 318.465 2.119 20 0 DEADHO C[N@@H+]1CCCC[C@H](CNC(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000624316384 365377123 /nfs/dbraw/zinc/37/71/23/365377123.db2.gz OWBNVGMPCOCPLH-IKGGRYGDSA-N 1 3 322.497 2.034 20 0 DEADHO C[N@H+]1CCCC[C@H](CNC(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000624316384 365377127 /nfs/dbraw/zinc/37/71/27/365377127.db2.gz OWBNVGMPCOCPLH-IKGGRYGDSA-N 1 3 322.497 2.034 20 0 DEADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2cc(CO)ccc2F)C1 ZINC000629548448 367244859 /nfs/dbraw/zinc/24/48/59/367244859.db2.gz NSGJGIBXTDOVJM-KBAYOESNSA-N 1 3 322.424 2.179 20 0 DEADHO C[C@@H](C[NH2+]C[C@@H](O)CN1CCCC1)Oc1ccccc1Cl ZINC000629565934 367254998 /nfs/dbraw/zinc/25/49/98/367254998.db2.gz QUIAEAFGPXLGCH-UONOGXRCSA-N 1 3 312.841 2.154 20 0 DEADHO COc1cccc(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1OC ZINC000677237106 541563000 /nfs/dbraw/zinc/56/30/00/541563000.db2.gz OJKAGZKPORERND-CVEARBPZSA-N 1 3 304.434 2.463 20 0 DEADHO COc1cccc(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1OC ZINC000677237106 541563002 /nfs/dbraw/zinc/56/30/02/541563002.db2.gz OJKAGZKPORERND-CVEARBPZSA-N 1 3 304.434 2.463 20 0 DEADHO C[NH+](C)CCCOc1ccc(CNCc2ccc(=O)[nH]c2)cc1 ZINC000631062184 367996542 /nfs/dbraw/zinc/99/65/42/367996542.db2.gz HJMLAZGJNQLYFP-UHFFFAOYSA-N 1 3 315.417 2.408 20 0 DEADHO CN(c1ccccc1C[NH2+][C@H]1C[C@@H](CO)C1)C1CCN(C)CC1 ZINC000631198689 368073222 /nfs/dbraw/zinc/07/32/22/368073222.db2.gz KIBUMBXSOTVVMP-WOVMCDHWSA-N 1 3 317.477 2.078 20 0 DEADHO COc1ccc2c(c1)CC[C@@H]2[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000631626165 368316434 /nfs/dbraw/zinc/31/64/34/368316434.db2.gz UZYVBMMQNCXHPZ-SFHVURJKSA-N 1 3 317.477 2.298 20 0 DEADHO CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](n2cc(CN)nn2)C1 ZINC000631845758 368423708 /nfs/dbraw/zinc/42/37/08/368423708.db2.gz KFOJMRUCYFQUBR-HZPDHXFCSA-N 1 3 303.385 2.274 20 0 DEADHO CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](n2cc(CN)nn2)C1 ZINC000631845758 368423715 /nfs/dbraw/zinc/42/37/15/368423715.db2.gz KFOJMRUCYFQUBR-HZPDHXFCSA-N 1 3 303.385 2.274 20 0 DEADHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000459775328 296126568 /nfs/dbraw/zinc/12/65/68/296126568.db2.gz JKQUYZWJVABWJY-CABCVRRESA-N 1 3 324.490 2.473 20 0 DEADHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000459775328 296126569 /nfs/dbraw/zinc/12/65/69/296126569.db2.gz JKQUYZWJVABWJY-CABCVRRESA-N 1 3 324.490 2.473 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261546862 203076501 /nfs/dbraw/zinc/07/65/01/203076501.db2.gz LKDSACXGKDGHLM-IDCNUPLLSA-N 1 3 317.477 2.387 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261546862 203076504 /nfs/dbraw/zinc/07/65/04/203076504.db2.gz LKDSACXGKDGHLM-IDCNUPLLSA-N 1 3 317.477 2.387 20 0 DEADHO C[C@@H]1CN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CCN(C2CC2)C1 ZINC000452178320 244021446 /nfs/dbraw/zinc/02/14/46/244021446.db2.gz YYQZXTYMDLEJKB-JKSUJKDBSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1CN(C(=O)CC[C@H]2CCCC[N@H+]2C)CCN(C2CC2)C1 ZINC000452178320 244021458 /nfs/dbraw/zinc/02/14/58/244021458.db2.gz YYQZXTYMDLEJKB-JKSUJKDBSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1CCC[C@@](CNC(=O)[C@H](CN)c2ccccc2)([NH+](C)C)C1 ZINC000261848143 203133434 /nfs/dbraw/zinc/13/34/34/203133434.db2.gz ZNWDEHHXUCSTSH-SZVBFZGTSA-N 1 3 317.477 2.356 20 0 DEADHO CCC[C@H](N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262255296 203242403 /nfs/dbraw/zinc/24/24/03/203242403.db2.gz FAAVNJAPUKGAON-OIISXLGYSA-N 1 3 303.450 2.283 20 0 DEADHO CCC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262255296 203242404 /nfs/dbraw/zinc/24/24/04/203242404.db2.gz FAAVNJAPUKGAON-OIISXLGYSA-N 1 3 303.450 2.283 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H](N)c1ccccc1 ZINC000262682937 203379408 /nfs/dbraw/zinc/37/94/08/203379408.db2.gz YWYYBWAPXBRTSU-ORQFMDKSSA-N 1 3 303.450 2.312 20 0 DEADHO C[NH+]1CCC(Nc2ccccc2NC(=O)CNCC2CC2)CC1 ZINC000262659196 203369031 /nfs/dbraw/zinc/36/90/31/203369031.db2.gz WRDKLHCVZKERSG-UHFFFAOYSA-N 1 3 316.449 2.131 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[C@H](N)c2ccccc2)C1 ZINC000262663560 203371380 /nfs/dbraw/zinc/37/13/80/203371380.db2.gz HVISDKKDSVDMJP-VYDXJSESSA-N 1 3 303.450 2.123 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[C@H](N)c2ccccc2)C1 ZINC000262663560 203371382 /nfs/dbraw/zinc/37/13/82/203371382.db2.gz HVISDKKDSVDMJP-VYDXJSESSA-N 1 3 303.450 2.123 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(F)cn1 ZINC000529568873 284212355 /nfs/dbraw/zinc/21/23/55/284212355.db2.gz YXPZNKSDVQCUNQ-KRWDZBQOSA-N 1 3 308.445 2.069 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(F)cn1 ZINC000529568873 284212356 /nfs/dbraw/zinc/21/23/56/284212356.db2.gz YXPZNKSDVQCUNQ-KRWDZBQOSA-N 1 3 308.445 2.069 20 0 DEADHO CCO[C@@H]1COC[C@H]1N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000453349218 245087799 /nfs/dbraw/zinc/08/77/99/245087799.db2.gz JINDCMISBBYSBV-BMGDILEWSA-N 1 3 322.449 2.082 20 0 DEADHO CN(C)C1(C(=O)N2CCC(C)([NH2+]CCC3CC3)CC2)CCC1 ZINC001368650246 1148550540 /nfs/dbraw/zinc/55/05/40/1148550540.db2.gz IBTZPVBSRXKOPE-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CCN(C)c1ccncc1 ZINC000679405721 541852222 /nfs/dbraw/zinc/85/22/22/541852222.db2.gz FHYYJGYXRVGXAQ-MRXNPFEDSA-N 1 3 318.465 2.289 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)CCN(C)c1ccncc1 ZINC000679405721 541852224 /nfs/dbraw/zinc/85/22/24/541852224.db2.gz FHYYJGYXRVGXAQ-MRXNPFEDSA-N 1 3 318.465 2.289 20 0 DEADHO C[C@@H](O)CCN(C)Cc1cccc(C[N@H+](C)CC[C@@H](C)O)c1 ZINC000072712633 296171837 /nfs/dbraw/zinc/17/18/37/296171837.db2.gz RYYZOFLPNYOWDH-HZPDHXFCSA-N 1 3 308.466 2.092 20 0 DEADHO C[C@@H](O)CCN(C)Cc1cccc(C[N@@H+](C)CC[C@@H](C)O)c1 ZINC000072712633 296171840 /nfs/dbraw/zinc/17/18/40/296171840.db2.gz RYYZOFLPNYOWDH-HZPDHXFCSA-N 1 3 308.466 2.092 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CCCF ZINC001422242185 1172429563 /nfs/dbraw/zinc/42/95/63/1172429563.db2.gz HENGSJCIBPPWJM-JKSUJKDBSA-N 1 3 313.461 2.143 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CCCF ZINC001422242185 1172429574 /nfs/dbraw/zinc/42/95/74/1172429574.db2.gz HENGSJCIBPPWJM-JKSUJKDBSA-N 1 3 313.461 2.143 20 0 DEADHO COc1cccc([C@H]2CN(CCN3CC[NH2+]CC3)CC2(C)C)c1 ZINC000530232034 284381708 /nfs/dbraw/zinc/38/17/08/284381708.db2.gz VQBVVZSRWICLHV-GOSISDBHSA-N 1 3 317.477 2.026 20 0 DEADHO C[C@H](NC(=O)NCCCCC[NH+]1CCCC1)C1=CCN(C)CC1 ZINC000454775514 246142824 /nfs/dbraw/zinc/14/28/24/246142824.db2.gz PBYPIABQCJSMGI-INIZCTEOSA-N 1 3 322.497 2.202 20 0 DEADHO CC(C)[C@@H](CNC(=O)N[C@H](C)CN1CCCCC1)[NH+]1CCCC1 ZINC000105129699 194078248 /nfs/dbraw/zinc/07/82/48/194078248.db2.gz GCZAPQGGCROLKL-IAGOWNOFSA-N 1 3 324.513 2.280 20 0 DEADHO C[NH+](C)CCc1ccc(C(=O)NCCN2CCCCC2)cc1 ZINC000553314338 291738655 /nfs/dbraw/zinc/73/86/55/291738655.db2.gz HCSQYQFXCXQTEO-UHFFFAOYSA-N 1 3 303.450 2.006 20 0 DEADHO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000268838884 207003430 /nfs/dbraw/zinc/00/34/30/207003430.db2.gz CDIWRVUSHBVQPL-HUUCEWRRSA-N 1 3 306.450 2.156 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H]2CCc3c2cccc3OC)CC1 ZINC000268857485 207025311 /nfs/dbraw/zinc/02/53/11/207025311.db2.gz XXKKFJGJVCHUEG-GOSISDBHSA-N 1 3 317.477 2.300 20 0 DEADHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc2c(c1)COC2 ZINC000268872311 207043139 /nfs/dbraw/zinc/04/31/39/207043139.db2.gz KRZHUWJRECEYJW-MRXNPFEDSA-N 1 3 317.477 2.395 20 0 DEADHO C[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)c1cnn(C)c1 ZINC000268888951 207058027 /nfs/dbraw/zinc/05/80/27/207058027.db2.gz OQBPCQILRAWFQA-HNNXBMFYSA-N 1 3 316.449 2.254 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCC3CC3)[C@@H]2C1 ZINC001369421229 1148969064 /nfs/dbraw/zinc/96/90/64/1148969064.db2.gz PWUGUPVRPZXBLT-RCCFBDPRSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1C[C@H](O)CN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000682644501 542333765 /nfs/dbraw/zinc/33/37/65/542333765.db2.gz KQKXMYLRZLYNQW-WBVHZDCISA-N 1 3 304.434 2.116 20 0 DEADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCCOCC1CCOCC1 ZINC000422781113 532977053 /nfs/dbraw/zinc/97/70/53/532977053.db2.gz KKAOYEFNIIAKEE-VQIMIIECSA-N 1 3 320.477 2.368 20 0 DEADHO COC[C@H](CCC[NH3+])N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000423016803 533020916 /nfs/dbraw/zinc/02/09/16/533020916.db2.gz NHMFWZIOZMPZSF-RCBQFDQVSA-N 1 3 314.376 2.138 20 0 DEADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc3[nH]cnc3c2)C1 ZINC000539849701 285097207 /nfs/dbraw/zinc/09/72/07/285097207.db2.gz VHELZXJNJPCMTN-MRXNPFEDSA-N 1 3 316.449 2.496 20 0 DEADHO C[NH+](C)CCCOc1cnccc1CNC[C@H]1CCSC1 ZINC000288666941 220332913 /nfs/dbraw/zinc/33/29/13/220332913.db2.gz WEXHULPSRVETLV-CQSZACIVSA-N 1 3 309.479 2.255 20 0 DEADHO COc1cc2nccc(NCC[N@H+](C)C(C)C)c2cc1OC ZINC000413115175 533146234 /nfs/dbraw/zinc/14/62/34/533146234.db2.gz UIRDGNFYMLQLDD-UHFFFAOYSA-N 1 3 303.406 2.426 20 0 DEADHO COc1cc2nccc(NCC[N@@H+](C)C(C)C)c2cc1OC ZINC000413115175 533146240 /nfs/dbraw/zinc/14/62/40/533146240.db2.gz UIRDGNFYMLQLDD-UHFFFAOYSA-N 1 3 303.406 2.426 20 0 DEADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)[C@@H](C)C2CCN(C)CC2)C1 ZINC000542713533 285244927 /nfs/dbraw/zinc/24/49/27/285244927.db2.gz XIGNZBDOYINYTJ-HOTGVXAUSA-N 1 3 324.513 2.090 20 0 DEADHO CCC[N@H+]1CC[C@@H](CNC(=O)N(C)[C@@H](C)C2CCN(C)CC2)C1 ZINC000542713533 285244933 /nfs/dbraw/zinc/24/49/33/285244933.db2.gz XIGNZBDOYINYTJ-HOTGVXAUSA-N 1 3 324.513 2.090 20 0 DEADHO C(=C/C[N@@H+]1CCC12CCOCC2)\CN1CCC12CCOCC2 ZINC000683525876 542465106 /nfs/dbraw/zinc/46/51/06/542465106.db2.gz KCLWZYAUOCMVFO-OWOJBTEDSA-N 1 3 306.450 2.052 20 0 DEADHO C(=C/C[N@H+]1CCC12CCOCC2)\CN1CCC12CCOCC2 ZINC000683525876 542465109 /nfs/dbraw/zinc/46/51/09/542465109.db2.gz KCLWZYAUOCMVFO-OWOJBTEDSA-N 1 3 306.450 2.052 20 0 DEADHO CC[C@@H](C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1)N(C)C ZINC000120441286 195167287 /nfs/dbraw/zinc/16/72/87/195167287.db2.gz GNYNDLRUHOWMJR-WBVHZDCISA-N 1 3 305.466 2.353 20 0 DEADHO CC[C@@H](C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)N(C)C ZINC000120441286 195167290 /nfs/dbraw/zinc/16/72/90/195167290.db2.gz GNYNDLRUHOWMJR-WBVHZDCISA-N 1 3 305.466 2.353 20 0 DEADHO CC[N@H+](C)CCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000120756540 195230833 /nfs/dbraw/zinc/23/08/33/195230833.db2.gz HJUNTALVYCARLX-KRWDZBQOSA-N 1 3 318.465 2.074 20 0 DEADHO CC[N@@H+](C)CCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000120756540 195230835 /nfs/dbraw/zinc/23/08/35/195230835.db2.gz HJUNTALVYCARLX-KRWDZBQOSA-N 1 3 318.465 2.074 20 0 DEADHO COC[C@]1(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)OCCc2ccccc21 ZINC000289947706 221335102 /nfs/dbraw/zinc/33/51/02/221335102.db2.gz WGTMJHCSPUHQRJ-SUMDDJOVSA-N 1 3 318.461 2.173 20 0 DEADHO COC[C@]1(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)OCCc2ccccc21 ZINC000289947706 221335105 /nfs/dbraw/zinc/33/51/05/221335105.db2.gz WGTMJHCSPUHQRJ-SUMDDJOVSA-N 1 3 318.461 2.173 20 0 DEADHO C[C@H](NC(=O)NC[C@H]1N(C)CCCC1(C)C)C1CC[NH+](C)CC1 ZINC000684117401 542553932 /nfs/dbraw/zinc/55/39/32/542553932.db2.gz OCQBNESPQJIDPS-GOEBONIOSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H](NCC1(N(C)C)Cc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422789053 533360686 /nfs/dbraw/zinc/36/06/86/533360686.db2.gz SYIZTMCVLJGHBI-QAPCUYQASA-N 1 3 301.478 2.206 20 0 DEADHO COc1ccc(CCCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422729426 533474806 /nfs/dbraw/zinc/47/48/06/533474806.db2.gz BRHCDAIPLMQYKN-GBESFXJTSA-N 1 3 318.461 2.375 20 0 DEADHO C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])c1ccc(OCC(=O)NC2CC2)cc1 ZINC000422896290 533498088 /nfs/dbraw/zinc/49/80/88/533498088.db2.gz IDZSWLURRPBUPH-MELADBBJSA-N 1 3 319.449 2.120 20 0 DEADHO CN1CCN(CC[NH2+]Cc2nccc3ccccc32)CC1(C)C ZINC000685042809 542702586 /nfs/dbraw/zinc/70/25/86/542702586.db2.gz NEQBWFMLAILBMI-UHFFFAOYSA-N 1 3 312.461 2.350 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(C)CC[C@@H]1C ZINC000355403005 133024195 /nfs/dbraw/zinc/02/41/95/133024195.db2.gz NERDJILMLOTPNU-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(C)CC[C@@H]1C ZINC000355403005 133024196 /nfs/dbraw/zinc/02/41/96/133024196.db2.gz NERDJILMLOTPNU-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)N(C)C ZINC000358108174 133121673 /nfs/dbraw/zinc/12/16/73/133121673.db2.gz VJWUIUVJZNDXTA-YQQAZPJKSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)N(C)C ZINC000358108174 133121674 /nfs/dbraw/zinc/12/16/74/133121674.db2.gz VJWUIUVJZNDXTA-YQQAZPJKSA-N 1 3 309.498 2.342 20 0 DEADHO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H](C)CN(C)C ZINC000359660589 133137824 /nfs/dbraw/zinc/13/78/24/133137824.db2.gz WBCKWTIJRCYJPI-MRXNPFEDSA-N 1 3 312.502 2.234 20 0 DEADHO C[C@H]1CCCN(CCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000360005942 133157007 /nfs/dbraw/zinc/15/70/07/133157007.db2.gz IAFYYRYSIKJJLA-IRXDYDNUSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H]1CCCN(CCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000360005942 133157008 /nfs/dbraw/zinc/15/70/08/133157008.db2.gz IAFYYRYSIKJJLA-IRXDYDNUSA-N 1 3 321.509 2.489 20 0 DEADHO CN1CCC[C@@H]2C[N@H+](CCc3ccc4c(c3)OCCO4)CC[C@H]21 ZINC000360028221 133158105 /nfs/dbraw/zinc/15/81/05/133158105.db2.gz RXNASTPDMWACIP-IAGOWNOFSA-N 1 3 316.445 2.416 20 0 DEADHO CN1CCC[C@@H]2C[N@@H+](CCc3ccc4c(c3)OCCO4)CC[C@H]21 ZINC000360028221 133158106 /nfs/dbraw/zinc/15/81/06/133158106.db2.gz RXNASTPDMWACIP-IAGOWNOFSA-N 1 3 316.445 2.416 20 0 DEADHO CN(CCc1ccc2c(c1)OCCO2)C[C@@H]1CCC[N@H+](C)C1 ZINC000360028984 133158707 /nfs/dbraw/zinc/15/87/07/133158707.db2.gz YSRKSTHNDULINJ-MRXNPFEDSA-N 1 3 304.434 2.274 20 0 DEADHO CN(CCc1ccc2c(c1)OCCO2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000360028984 133158708 /nfs/dbraw/zinc/15/87/08/133158708.db2.gz YSRKSTHNDULINJ-MRXNPFEDSA-N 1 3 304.434 2.274 20 0 DEADHO Fc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000562956627 292019292 /nfs/dbraw/zinc/01/92/92/292019292.db2.gz IAICSEFVEKPEGR-XOKHGSTOSA-N 1 3 310.388 2.254 20 0 DEADHO Fc1ccc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000562956626 292019335 /nfs/dbraw/zinc/01/93/35/292019335.db2.gz IAICSEFVEKPEGR-RRQGHBQHSA-N 1 3 310.388 2.254 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000362606460 133241278 /nfs/dbraw/zinc/24/12/78/133241278.db2.gz OSUASKYAAJEEQL-AHCXZYCDSA-N 1 3 315.461 2.136 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000362606460 133241279 /nfs/dbraw/zinc/24/12/79/133241279.db2.gz OSUASKYAAJEEQL-AHCXZYCDSA-N 1 3 315.461 2.136 20 0 DEADHO CC(C)(C(=O)N1CC[C@H]([NH+]2CCCC2)C1)[C@H](N)c1ccccc1 ZINC000563048622 292027420 /nfs/dbraw/zinc/02/74/20/292027420.db2.gz XACIVUDNMJZYBB-DLBZAZTESA-N 1 3 315.461 2.409 20 0 DEADHO C[C@H](c1ccncc1)N1CCC([NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000422971337 299664876 /nfs/dbraw/zinc/66/48/76/299664876.db2.gz YGKNXCNXBLRALR-HFTRVMKXSA-N 1 3 302.466 2.324 20 0 DEADHO COCCOc1cccc(CNCc2ccc(C[NH3+])cc2)c1 ZINC000563958169 292081992 /nfs/dbraw/zinc/08/19/92/292081992.db2.gz NOMRXMDCHYCYPX-UHFFFAOYSA-N 1 3 300.402 2.460 20 0 DEADHO CC[NH+]1CCC(CN[C@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000564232222 292089811 /nfs/dbraw/zinc/08/98/11/292089811.db2.gz PXMCIBOVJWTBDC-CQSZACIVSA-N 1 3 305.451 2.277 20 0 DEADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000246269680 145096684 /nfs/dbraw/zinc/09/66/84/145096684.db2.gz LSOZBPZVQUCSCA-ROUUACIJSA-N 1 3 315.461 2.157 20 0 DEADHO C[C@@H](CNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)N(C)C1CC1 ZINC000246326430 145098651 /nfs/dbraw/zinc/09/86/51/145098651.db2.gz ANAJNGUSJPUGDP-CVEARBPZSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H](CNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)N(C)C1CC1 ZINC000246326430 145098654 /nfs/dbraw/zinc/09/86/54/145098654.db2.gz ANAJNGUSJPUGDP-CVEARBPZSA-N 1 3 324.513 2.280 20 0 DEADHO O[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000248416256 145154321 /nfs/dbraw/zinc/15/43/21/145154321.db2.gz PBRXQUQZMRVYPE-MTHXSQLBSA-N 1 3 300.446 2.400 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)CCC1CC[NH2+]CC1 ZINC000261547802 145206695 /nfs/dbraw/zinc/20/66/95/145206695.db2.gz MTUUZDGLGFWDFY-MRXNPFEDSA-N 1 3 317.477 2.403 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261638312 145212438 /nfs/dbraw/zinc/21/24/38/145212438.db2.gz FNFVGJKPWGUFEM-AHCXZYCDSA-N 1 3 315.461 2.060 20 0 DEADHO C[C@H](CC(=O)NC[C@@H]1NCCc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000262302595 145275143 /nfs/dbraw/zinc/27/51/43/145275143.db2.gz BQAZBWHBDPDPSN-KYJSFNMBSA-N 1 3 315.461 2.015 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H](N)c1ccccc1 ZINC000262351849 145278549 /nfs/dbraw/zinc/27/85/49/145278549.db2.gz VGRPETLIKJCMML-PQEBFOHHSA-N 1 3 301.434 2.066 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H](N)c1ccccc1 ZINC000262351849 145278552 /nfs/dbraw/zinc/27/85/52/145278552.db2.gz VGRPETLIKJCMML-PQEBFOHHSA-N 1 3 301.434 2.066 20 0 DEADHO C[C@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])N1CCC(C)CC1 ZINC000262363022 145279249 /nfs/dbraw/zinc/27/92/49/145279249.db2.gz VTPVTENKWRACIH-ZGOKBZQCSA-N 1 3 321.509 2.377 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)[C@@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000262380974 145279787 /nfs/dbraw/zinc/27/97/87/145279787.db2.gz YSBQRKPCSLLKBQ-WMLDXEAASA-N 1 3 303.450 2.312 20 0 DEADHO Cc1cc(C)cc(OCCCN2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000323706914 145380762 /nfs/dbraw/zinc/38/07/62/145380762.db2.gz HKCKZTJBGDGFQE-SFHVURJKSA-N 1 3 317.477 2.052 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000346100791 146015794 /nfs/dbraw/zinc/01/57/94/146015794.db2.gz DLIUBFUKPYCAQN-HZPDHXFCSA-N 1 3 317.477 2.280 20 0 DEADHO COCCN1CC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000346442696 146083038 /nfs/dbraw/zinc/08/30/38/146083038.db2.gz VHVGBNPGQSUTFX-QGZVFWFLSA-N 1 3 309.498 2.094 20 0 DEADHO Cc1nc(COc2ccc(CN3CC[C@@H]([C@H](C)[NH3+])C3)cc2)no1 ZINC000346644955 146116283 /nfs/dbraw/zinc/11/62/83/146116283.db2.gz NRBSNGYZLBJDFO-SWLSCSKDSA-N 1 3 316.405 2.126 20 0 DEADHO Fc1ccc(CN2CCCN(C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000346841917 146151464 /nfs/dbraw/zinc/15/14/64/146151464.db2.gz HMHZIAMOQNGARM-KRWDZBQOSA-N 1 3 305.441 2.333 20 0 DEADHO CN1CCC(CC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000346957331 146170790 /nfs/dbraw/zinc/17/07/90/146170790.db2.gz BPJIKTCYCNONLX-QGZVFWFLSA-N 1 3 307.482 2.099 20 0 DEADHO CN1CCC(CC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000346957331 146170791 /nfs/dbraw/zinc/17/07/91/146170791.db2.gz BPJIKTCYCNONLX-QGZVFWFLSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H](NC[C@@H]1CCCC(=O)N1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348406609 146266976 /nfs/dbraw/zinc/26/69/76/146266976.db2.gz TYPPUIDOIBOFMC-JQHSSLGASA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H](NC[C@@H]1CCCC(=O)N1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348406609 146266978 /nfs/dbraw/zinc/26/69/78/146266978.db2.gz TYPPUIDOIBOFMC-JQHSSLGASA-N 1 3 315.461 2.155 20 0 DEADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccn(C)n1 ZINC000349454663 146379904 /nfs/dbraw/zinc/37/99/04/146379904.db2.gz LONKJIXLAAFOQF-XHSDSOJGSA-N 1 3 308.470 2.350 20 0 DEADHO CC[NH+](CC)CCOCCN[C@H](C)c1ccc2c(c1)OCO2 ZINC000349660132 146394657 /nfs/dbraw/zinc/39/46/57/146394657.db2.gz BJOQILGSIJWBHP-CQSZACIVSA-N 1 3 308.422 2.424 20 0 DEADHO C[C@@H]1CCCC[C@H]1N(C)C(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358510558 147147655 /nfs/dbraw/zinc/14/76/55/147147655.db2.gz RYROKBGAZVFFPA-HZPDHXFCSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H](CN(C)C)NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000358532454 147151074 /nfs/dbraw/zinc/15/10/74/147151074.db2.gz UAMFWHNAMNZBEW-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H](CN(C)C)NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000358532454 147151078 /nfs/dbraw/zinc/15/10/78/147151078.db2.gz UAMFWHNAMNZBEW-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H](CNC(=O)[C@H](CN)c1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000358869587 147222518 /nfs/dbraw/zinc/22/25/18/147222518.db2.gz YDRURLUTWQXCBI-RHSMWYFYSA-N 1 3 321.440 2.106 20 0 DEADHO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@H](c2ccccc2)C2CC2)C1 ZINC000359375129 147317246 /nfs/dbraw/zinc/31/72/46/147317246.db2.gz RKAGLASPOSDSNP-QZTJIDSGSA-N 1 3 315.461 2.315 20 0 DEADHO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@H](c2ccccc2)C2CC2)C1 ZINC000359375129 147317248 /nfs/dbraw/zinc/31/72/48/147317248.db2.gz RKAGLASPOSDSNP-QZTJIDSGSA-N 1 3 315.461 2.315 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccco1 ZINC000359550924 147349720 /nfs/dbraw/zinc/34/97/20/147349720.db2.gz YVXHUXCWERUIDC-LZWOXQAQSA-N 1 3 309.454 2.411 20 0 DEADHO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000269041467 285970761 /nfs/dbraw/zinc/97/07/61/285970761.db2.gz GPHCHMHKKPFWJC-HUUCEWRRSA-N 1 3 306.450 2.156 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N1CC[C@H]2CCN(C)C[C@H]21)C(C)C ZINC000371568522 148118385 /nfs/dbraw/zinc/11/83/85/148118385.db2.gz JUMMMPUBJHDXBI-IAGOWNOFSA-N 1 3 324.513 2.231 20 0 DEADHO Cc1nn(C(C)C)cc1CN1CCC(C[NH+]2CCOCC2)CC1 ZINC000374226560 148219609 /nfs/dbraw/zinc/21/96/09/148219609.db2.gz BAGWZPCNHSMYQP-UHFFFAOYSA-N 1 3 320.481 2.317 20 0 DEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCC(=O)Nc1ccccn1 ZINC000565827844 292184865 /nfs/dbraw/zinc/18/48/65/292184865.db2.gz KUBZBLDQDWADLY-CABCVRRESA-N 1 3 304.438 2.311 20 0 DEADHO CC(C)(C(=O)NCc1ccc(C[NH3+])cc1)[C@@H](N)c1ccccc1 ZINC000565892763 292189208 /nfs/dbraw/zinc/18/92/08/292189208.db2.gz MTADNIBWYHQJIV-KRWDZBQOSA-N 1 3 311.429 2.488 20 0 DEADHO Cc1cnn(CCCCC[NH+]2CCC(N(C)CCCO)CC2)c1 ZINC000115548829 401830869 /nfs/dbraw/zinc/83/08/69/401830869.db2.gz RVFZFRVXMPDLOP-UHFFFAOYSA-N 1 3 322.497 2.140 20 0 DEADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCC(C)(C)N1CCCCC1 ZINC000115784992 401837109 /nfs/dbraw/zinc/83/71/09/401837109.db2.gz GMZMCNGZBGUKBM-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCC(C)(C)N1CCCCC1 ZINC000115784992 401837111 /nfs/dbraw/zinc/83/71/11/401837111.db2.gz GMZMCNGZBGUKBM-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO Cn1ncc(Cl)c1CNCC1CCN(c2cc[nH+]cc2)CC1 ZINC000132608861 401870027 /nfs/dbraw/zinc/87/00/27/401870027.db2.gz YWJLCXUYAFXJAP-UHFFFAOYSA-N 1 3 319.840 2.475 20 0 DEADHO COCOc1ccc(OC)cc1CNCCC1CC[NH+](C)CC1 ZINC000119246016 401935681 /nfs/dbraw/zinc/93/56/81/401935681.db2.gz LCHPILAGNHNIQC-UHFFFAOYSA-N 1 3 322.449 2.499 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)CC1 ZINC000085389195 401915015 /nfs/dbraw/zinc/91/50/15/401915015.db2.gz ICXLGTSTMMMDDH-RDJZCZTQSA-N 1 3 324.513 2.088 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)CC1 ZINC000085408458 401915923 /nfs/dbraw/zinc/91/59/23/401915923.db2.gz KZDYAOASTOPZCW-DOTOQJQBSA-N 1 3 324.513 2.090 20 0 DEADHO C(C[NH2+]C1CCN(C2CCCCC2)CC1)CN1CCOCC1 ZINC000151165329 402020813 /nfs/dbraw/zinc/02/08/13/402020813.db2.gz NAQSYUMHCQMMMI-UHFFFAOYSA-N 1 3 309.498 2.095 20 0 DEADHO C(CNC1CC[NH+](C2CCCCC2)CC1)CN1CCOCC1 ZINC000151165329 402020814 /nfs/dbraw/zinc/02/08/14/402020814.db2.gz NAQSYUMHCQMMMI-UHFFFAOYSA-N 1 3 309.498 2.095 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCCCC3)CC2)CC1 ZINC000051758549 402036447 /nfs/dbraw/zinc/03/64/47/402036447.db2.gz YBBLEPOPSCGJHZ-UHFFFAOYSA-N 1 3 322.497 2.131 20 0 DEADHO COCCOc1cccc(C[N@H+](C)C[C@@H]2CCCN(C)C2)c1 ZINC000092253477 402003281 /nfs/dbraw/zinc/00/32/81/402003281.db2.gz RKUVZVDOEZDBIR-QGZVFWFLSA-N 1 3 306.450 2.485 20 0 DEADHO COCCOc1cccc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)c1 ZINC000092253477 402003284 /nfs/dbraw/zinc/00/32/84/402003284.db2.gz RKUVZVDOEZDBIR-QGZVFWFLSA-N 1 3 306.450 2.485 20 0 DEADHO C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000152212854 402082317 /nfs/dbraw/zinc/08/23/17/402082317.db2.gz ILHTWEIXBORPPS-WMLDXEAASA-N 1 3 303.450 2.256 20 0 DEADHO [NH3+]C[C@@H]1CN(C(=O)c2ccc3c(c2)CNC3)C[C@H]1c1ccccc1 ZINC000566205784 292217742 /nfs/dbraw/zinc/21/77/42/292217742.db2.gz OYRCJXBZSUNPEB-MOPGFXCFSA-N 1 3 321.424 2.104 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CN1C1CC1 ZINC000122177198 402065152 /nfs/dbraw/zinc/06/51/52/402065152.db2.gz JLLLBRFGHJLZBF-HIFRSBDPSA-N 1 3 322.497 2.174 20 0 DEADHO COc1ccccc1[C@H](CN[C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)C ZINC000153274664 402136750 /nfs/dbraw/zinc/13/67/50/402136750.db2.gz IYHZNROECRWYIT-ZOBUZTSGSA-N 1 3 305.466 2.370 20 0 DEADHO COc1ccccc1[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)C ZINC000153274664 402136752 /nfs/dbraw/zinc/13/67/52/402136752.db2.gz IYHZNROECRWYIT-ZOBUZTSGSA-N 1 3 305.466 2.370 20 0 DEADHO COc1ccccc1[C@H](C[NH2+][C@H]1CCN(C)[C@@H](C)C1)N(C)C ZINC000153274664 402136755 /nfs/dbraw/zinc/13/67/55/402136755.db2.gz IYHZNROECRWYIT-ZOBUZTSGSA-N 1 3 305.466 2.370 20 0 DEADHO C[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@H](C)N1 ZINC000154026810 402188300 /nfs/dbraw/zinc/18/83/00/402188300.db2.gz KOIWUQMSYFWRDK-GASCZTMLSA-N 1 3 301.434 2.105 20 0 DEADHO CN(C)Cc1ccc(C(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000102640293 402169943 /nfs/dbraw/zinc/16/99/43/402169943.db2.gz RAHKJQVFJCCEAC-UHFFFAOYSA-N 1 3 303.450 2.210 20 0 DEADHO CCCN1CCC[C@H]1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000124389404 402177671 /nfs/dbraw/zinc/17/76/71/402177671.db2.gz GYXYEHBEOPAFJR-KRWDZBQOSA-N 1 3 319.449 2.440 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N(C)C ZINC000125119742 402214496 /nfs/dbraw/zinc/21/44/96/402214496.db2.gz YSSFLLPJPWVVLJ-ROUUACIJSA-N 1 3 317.477 2.007 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N(C)C ZINC000125119742 402214498 /nfs/dbraw/zinc/21/44/98/402214498.db2.gz YSSFLLPJPWVVLJ-ROUUACIJSA-N 1 3 317.477 2.007 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@H](C)CCC[C@@H]2C)CC1 ZINC000125160706 402216734 /nfs/dbraw/zinc/21/67/34/402216734.db2.gz SRSUHLIASYXBOK-CVEARBPZSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H](C[NH2+]C1CCN(CC(F)F)CC1)CN1CCCCC1 ZINC000125601996 402240983 /nfs/dbraw/zinc/24/09/83/402240983.db2.gz XFXYDMJMLAZGPW-CQSZACIVSA-N 1 3 303.441 2.428 20 0 DEADHO CC(C)[N@H+](C)CC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000155352212 402253949 /nfs/dbraw/zinc/25/39/49/402253949.db2.gz BVOYUZPNKMIQPZ-HNNXBMFYSA-N 1 3 318.465 2.063 20 0 DEADHO CC(C)[N@@H+](C)CC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000155352212 402253950 /nfs/dbraw/zinc/25/39/50/402253950.db2.gz BVOYUZPNKMIQPZ-HNNXBMFYSA-N 1 3 318.465 2.063 20 0 DEADHO CN1CCC[C@H](CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000108552585 402257327 /nfs/dbraw/zinc/25/73/27/402257327.db2.gz JHVDHTLXZDJPEX-WBVHZDCISA-N 1 3 324.513 2.138 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000155861720 402268779 /nfs/dbraw/zinc/26/87/79/402268779.db2.gz YZJOIDPSHRXOOG-GOSISDBHSA-N 1 3 315.461 2.449 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)N(C)CCN(C)C)c1ccccc1 ZINC000176152527 402284341 /nfs/dbraw/zinc/28/43/41/402284341.db2.gz AIKQAQMDZDGRMB-QGZVFWFLSA-N 1 3 320.481 2.273 20 0 DEADHO CN(C)[C@@H](CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1)c1ccccc1 ZINC000184980490 402314362 /nfs/dbraw/zinc/31/43/62/402314362.db2.gz OOWZQGCYCPRXSH-KSZLIROESA-N 1 3 315.461 2.137 20 0 DEADHO CN(C)[C@@H](CNC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2C1)c1ccccc1 ZINC000184980490 402314364 /nfs/dbraw/zinc/31/43/64/402314364.db2.gz OOWZQGCYCPRXSH-KSZLIROESA-N 1 3 315.461 2.137 20 0 DEADHO CC(C)N1CC[C@@H](C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000229841909 402345174 /nfs/dbraw/zinc/34/51/74/402345174.db2.gz YXEDQXGSHAJLAM-NFOMZHRRSA-N 1 3 311.470 2.362 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](CNC2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000229841909 402345177 /nfs/dbraw/zinc/34/51/77/402345177.db2.gz YXEDQXGSHAJLAM-NFOMZHRRSA-N 1 3 311.470 2.362 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](CNC2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000229841909 402345181 /nfs/dbraw/zinc/34/51/81/402345181.db2.gz YXEDQXGSHAJLAM-NFOMZHRRSA-N 1 3 311.470 2.362 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000236896032 402387222 /nfs/dbraw/zinc/38/72/22/402387222.db2.gz QJJNMAOQHMQATL-IKGGRYGDSA-N 1 3 309.498 2.330 20 0 DEADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(C)(C)N ZINC000236894404 402387360 /nfs/dbraw/zinc/38/73/60/402387360.db2.gz IKWNRFQDTNVRIZ-MRXNPFEDSA-N 1 3 303.450 2.094 20 0 DEADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(C)(C)N ZINC000236894404 402387362 /nfs/dbraw/zinc/38/73/62/402387362.db2.gz IKWNRFQDTNVRIZ-MRXNPFEDSA-N 1 3 303.450 2.094 20 0 DEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H](N)C(C)C)CC1 ZINC000236736837 402379163 /nfs/dbraw/zinc/37/91/63/402379163.db2.gz QDKPGLPOGHPAMN-KRWDZBQOSA-N 1 3 303.450 2.059 20 0 DEADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000236753533 402379862 /nfs/dbraw/zinc/37/98/62/402379862.db2.gz ATGBLXHOYTVKHK-DJIMGWMZSA-N 1 3 305.466 2.415 20 0 DEADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000236756627 402380836 /nfs/dbraw/zinc/38/08/36/402380836.db2.gz CAVMVGHGYNPDTI-ROUUACIJSA-N 1 3 317.477 2.483 20 0 DEADHO CCCC[C@@H]([NH3+])C(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000236764103 402381630 /nfs/dbraw/zinc/38/16/30/402381630.db2.gz WRSORBQVISMKSX-ZWKOTPCHSA-N 1 3 317.477 2.457 20 0 DEADHO CN1CCC(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000177246557 402385075 /nfs/dbraw/zinc/38/50/75/402385075.db2.gz NTZWOBRPYRHMGE-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000237078023 402394526 /nfs/dbraw/zinc/39/45/26/402394526.db2.gz YTQHQVBSYIGDSZ-BHYGNILZSA-N 1 3 303.450 2.313 20 0 DEADHO COc1ccsc1[C@@H](C)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000186102726 402401846 /nfs/dbraw/zinc/40/18/46/402401846.db2.gz XHBGRPBOAPRBQH-CYBMUJFWSA-N 1 3 311.495 2.433 20 0 DEADHO C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000237334709 402404640 /nfs/dbraw/zinc/40/46/40/402404640.db2.gz JIIKUUQRDFCOHA-MSOLQXFVSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@H](CNC(=O)CC1CC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000237386941 402406444 /nfs/dbraw/zinc/40/64/44/402406444.db2.gz YFPQBIIEJNRABT-OAHLLOKOSA-N 1 3 303.450 2.013 20 0 DEADHO C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)C[NH3+])CCN1Cc1ccccc1 ZINC000237465541 402408807 /nfs/dbraw/zinc/40/88/07/402408807.db2.gz IEDZSPMSJRMGMI-WBVHZDCISA-N 1 3 317.477 2.483 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@@H]3CCCC[C@H]3C2)CC1 ZINC000177546145 402414867 /nfs/dbraw/zinc/41/48/67/402414867.db2.gz KFGLMBWILZSYBU-HOTGVXAUSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)C[NH3+])CCN1Cc1ccccc1 ZINC000237638528 402416529 /nfs/dbraw/zinc/41/65/29/402416529.db2.gz IEDZSPMSJRMGMI-RDJZCZTQSA-N 1 3 317.477 2.483 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)c1cccc(F)c1 ZINC001422761391 1172845895 /nfs/dbraw/zinc/84/58/95/1172845895.db2.gz QIXZPGOGOSNBFG-UONOGXRCSA-N 1 3 309.429 2.321 20 0 DEADHO CCN(Cc1ccccc1)C(=O)C[NH2+][C@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000177998237 402450718 /nfs/dbraw/zinc/45/07/18/402450718.db2.gz YQPWEIJVPDFYPT-JZXOWHBKSA-N 1 3 317.477 2.353 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000237898323 402425334 /nfs/dbraw/zinc/42/53/34/402425334.db2.gz ZHSDFRSGHPWSRE-KSZLIROESA-N 1 3 315.461 2.457 20 0 DEADHO CCN1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)[C@H](C)C1 ZINC000177792901 402436672 /nfs/dbraw/zinc/43/66/72/402436672.db2.gz CUVJDUDZDALWCN-INMHGKMJSA-N 1 3 301.434 2.112 20 0 DEADHO O=C(CC1CC[NH2+]CC1)N1CCCN(Cc2ccccc2)CC1 ZINC000238129285 402438248 /nfs/dbraw/zinc/43/82/48/402438248.db2.gz GWDUHWAUEPZSCS-UHFFFAOYSA-N 1 3 315.461 2.111 20 0 DEADHO CCN(CCNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)C1CC1 ZINC000245390717 402454775 /nfs/dbraw/zinc/45/47/75/402454775.db2.gz MYACFACQXAQPCZ-MRXNPFEDSA-N 1 3 324.513 2.425 20 0 DEADHO CCN(CCNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000245390717 402454778 /nfs/dbraw/zinc/45/47/78/402454778.db2.gz MYACFACQXAQPCZ-MRXNPFEDSA-N 1 3 324.513 2.425 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]Cc2cccc(CN3CCOCC3)c2)CCN1C ZINC000163687193 402455088 /nfs/dbraw/zinc/45/50/88/402455088.db2.gz UAIXCXLGCUZZPS-LPHOPBHVSA-N 1 3 317.477 2.091 20 0 DEADHO C[C@H]1C[C@@H](NCc2cccc(CN3CCOCC3)c2)CC[N@@H+]1C ZINC000163687193 402455089 /nfs/dbraw/zinc/45/50/89/402455089.db2.gz UAIXCXLGCUZZPS-LPHOPBHVSA-N 1 3 317.477 2.091 20 0 DEADHO C[C@H]1C[C@@H](NCc2cccc(CN3CCOCC3)c2)CC[N@H+]1C ZINC000163687193 402455094 /nfs/dbraw/zinc/45/50/94/402455094.db2.gz UAIXCXLGCUZZPS-LPHOPBHVSA-N 1 3 317.477 2.091 20 0 DEADHO Cc1ccccc1CN1CCC(NC(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000164551436 402464136 /nfs/dbraw/zinc/46/41/36/402464136.db2.gz LOXOLMSOWFFHMU-GOSISDBHSA-N 1 3 315.461 2.218 20 0 DEADHO CC(C)[NH2+]CCC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000165492533 402476857 /nfs/dbraw/zinc/47/68/57/402476857.db2.gz XAHQNHXZTBOXLL-SFHVURJKSA-N 1 3 317.477 2.498 20 0 DEADHO O=C(C[C@@H]1CCC[NH2+]1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000165898587 402479795 /nfs/dbraw/zinc/47/97/95/402479795.db2.gz LFSGMBOURBHMBT-ROUUACIJSA-N 1 3 315.461 2.299 20 0 DEADHO CN1CCC(Nc2ccccc2NC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000166852255 402487844 /nfs/dbraw/zinc/48/78/44/402487844.db2.gz SZNCDVGAWPKIIE-AWEZNQCLSA-N 1 3 316.449 2.131 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000167795177 402493811 /nfs/dbraw/zinc/49/38/11/402493811.db2.gz JGNIXGIAPGQFQV-YJBOKZPZSA-N 1 3 315.461 2.470 20 0 DEADHO CN1CCC[C@H]1CC[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000178442889 402499245 /nfs/dbraw/zinc/49/92/45/402499245.db2.gz HDAPNWBOZVWYAV-KRWDZBQOSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[C@H](N)C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000169121596 402500902 /nfs/dbraw/zinc/50/09/02/402500902.db2.gz RTWXAFHWLNNHEB-ZOBUZTSGSA-N 1 3 317.477 2.387 20 0 DEADHO C[C@H]([NH3+])C(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000178832473 402545057 /nfs/dbraw/zinc/54/50/57/402545057.db2.gz OLEQRMJBFMWKJB-INIZCTEOSA-N 1 3 315.461 2.381 20 0 DEADHO CC(C)(C)OC(=O)N1CC[C@H](NCCC[NH+]2CCCCC2)C1 ZINC000178840005 402545720 /nfs/dbraw/zinc/54/57/20/402545720.db2.gz RYNKEKVXMJVCGP-HNNXBMFYSA-N 1 3 311.470 2.461 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CN1C1CC1 ZINC000246177187 402515439 /nfs/dbraw/zinc/51/54/39/402515439.db2.gz GRZFILWRFYIXBQ-OWCLPIDISA-N 1 3 322.497 2.127 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CN1C1CC1 ZINC000246177187 402515442 /nfs/dbraw/zinc/51/54/42/402515442.db2.gz GRZFILWRFYIXBQ-OWCLPIDISA-N 1 3 322.497 2.127 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)CC1 ZINC000246292705 402523463 /nfs/dbraw/zinc/52/34/63/402523463.db2.gz KZDYAOASTOPZCW-NVXWUHKLSA-N 1 3 324.513 2.090 20 0 DEADHO CC1CC[NH+](CCCNC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)CC1 ZINC000246287410 402523607 /nfs/dbraw/zinc/52/36/07/402523607.db2.gz KNPICYYKZOJHQW-SJORKVTESA-N 1 3 324.513 2.090 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)CC(C)(C)[NH3+])c1cccc(OC)c1 ZINC000178672737 402524493 /nfs/dbraw/zinc/52/44/93/402524493.db2.gz KHIYRRXOPKULJJ-INIZCTEOSA-N 1 3 321.465 2.322 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H](CN)c2ccccc2)C1 ZINC000178705131 402528692 /nfs/dbraw/zinc/52/86/92/402528692.db2.gz WDDMVJAIIIBXBQ-AEFFLSMTSA-N 1 3 317.477 2.357 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H](CN)c2ccccc2)C1 ZINC000178705131 402528696 /nfs/dbraw/zinc/52/86/96/402528696.db2.gz WDDMVJAIIIBXBQ-AEFFLSMTSA-N 1 3 317.477 2.357 20 0 DEADHO CC(C)([NH3+])CC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000178726770 402531317 /nfs/dbraw/zinc/53/13/17/402531317.db2.gz RNNPFHWGOCXTSS-INIZCTEOSA-N 1 3 303.450 2.285 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000178731946 402532133 /nfs/dbraw/zinc/53/21/33/402532133.db2.gz OMJSFTXXBDWRSL-YJBOKZPZSA-N 1 3 317.477 2.388 20 0 DEADHO CCOCCC[N@@H+]1CC[C@@H](NCCOC(F)(F)F)[C@H](C)C1 ZINC000189228068 402532843 /nfs/dbraw/zinc/53/28/43/402532843.db2.gz PXKMEPBREAMGNE-CHWSQXEVSA-N 1 3 312.376 2.249 20 0 DEADHO CCOCCC[N@H+]1CC[C@@H](NCCOC(F)(F)F)[C@H](C)C1 ZINC000189228068 402532845 /nfs/dbraw/zinc/53/28/45/402532845.db2.gz PXKMEPBREAMGNE-CHWSQXEVSA-N 1 3 312.376 2.249 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000246642146 402539323 /nfs/dbraw/zinc/53/93/23/402539323.db2.gz HJZISQBUDYIXAD-KURKYZTESA-N 1 3 315.461 2.285 20 0 DEADHO C[C@H](NCC1CC[NH+](CCO)CC1)c1nc2c(s1)CCCC2 ZINC000179425490 402589241 /nfs/dbraw/zinc/58/92/41/402589241.db2.gz NHFBYXNSAWQGPV-ZDUSSCGKSA-N 1 3 323.506 2.377 20 0 DEADHO C[C@@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000192110039 402711706 /nfs/dbraw/zinc/71/17/06/402711706.db2.gz HQUAZIAIMHGEJL-JYYAWHABSA-N 1 3 303.450 2.139 20 0 DEADHO C[C@H]1CCCN(CCNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000173848047 402715389 /nfs/dbraw/zinc/71/53/89/402715389.db2.gz RHRDAXMEVQNFFQ-IRXDYDNUSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H]1CCCN(CCNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000173848047 402715391 /nfs/dbraw/zinc/71/53/91/402715391.db2.gz RHRDAXMEVQNFFQ-IRXDYDNUSA-N 1 3 324.513 2.234 20 0 DEADHO COC[C@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)C(C)C ZINC000182263418 402676934 /nfs/dbraw/zinc/67/69/34/402676934.db2.gz NEQAJSUSJWODQB-ROUUACIJSA-N 1 3 306.450 2.014 20 0 DEADHO C[C@@H](CN1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccc(F)cc1 ZINC000261968567 402720845 /nfs/dbraw/zinc/72/08/45/402720845.db2.gz HYSWNSLMOHLMFC-YOEHRIQHSA-N 1 3 321.440 2.249 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000174164361 402729667 /nfs/dbraw/zinc/72/96/67/402729667.db2.gz JCDRJOJDEMTFOC-HNNXBMFYSA-N 1 3 310.486 2.033 20 0 DEADHO Cc1ccc([C@H](CNC(=O)C[NH2+]CC2CC2)N2CCCC2)cc1 ZINC000263254435 402751018 /nfs/dbraw/zinc/75/10/18/402751018.db2.gz KIVDYYBKYCTCGD-SFHVURJKSA-N 1 3 315.461 2.248 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000174690760 402752467 /nfs/dbraw/zinc/75/24/67/402752467.db2.gz HGCHBNFIOWLASN-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnccc2N(C)C)C[C@@H](C)O1 ZINC000183304194 402754277 /nfs/dbraw/zinc/75/42/77/402754277.db2.gz NUTPTUNMLUUNTG-HZPDHXFCSA-N 1 3 320.481 2.127 20 0 DEADHO C[C@H](C(=O)N(CC[NH3+])Cc1ccccc1)[C@@H](N)c1ccccc1 ZINC000184207365 402826412 /nfs/dbraw/zinc/82/64/12/402826412.db2.gz WXOSLGQAIPFZQW-MAUKXSAKSA-N 1 3 311.429 2.310 20 0 DEADHO CN1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1=O ZINC000272281378 402918106 /nfs/dbraw/zinc/91/81/06/402918106.db2.gz AFTWSCOOMDMBJR-TVFCKZIOSA-N 1 3 313.445 2.002 20 0 DEADHO O=C1CCN(CNCC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000273135161 402975174 /nfs/dbraw/zinc/97/51/74/402975174.db2.gz VPTLMXMPINMWPC-UHFFFAOYSA-N 1 3 321.490 2.172 20 0 DEADHO COc1ccc(C[C@H](C)C[NH2+]CC2(O)CCN(C)CC2)cc1F ZINC000274478989 403059543 /nfs/dbraw/zinc/05/95/43/403059543.db2.gz ZJEBLRRLFNOUEK-AWEZNQCLSA-N 1 3 324.440 2.059 20 0 DEADHO CCN1CC[C@H]([NH2+]Cc2cccc(C(=O)NC3CC3)c2)[C@@H](C)C1 ZINC000268788662 403114255 /nfs/dbraw/zinc/11/42/55/403114255.db2.gz BAIHSSNDEANJGV-KSSFIOAISA-N 1 3 315.461 2.399 20 0 DEADHO COCCN(C)CC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000268826491 403118827 /nfs/dbraw/zinc/11/88/27/403118827.db2.gz IMYBVMSODHFHOF-HKUYNNGSSA-N 1 3 319.493 2.065 20 0 DEADHO CC(C)[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N(C)C ZINC000269098697 403123496 /nfs/dbraw/zinc/12/34/96/403123496.db2.gz NXERMSHXFXKRDE-SFHVURJKSA-N 1 3 317.477 2.485 20 0 DEADHO COc1cc2nccc(N3CCC[N@H+](C)CC3)c2cc1OC ZINC000298197269 403328988 /nfs/dbraw/zinc/32/89/88/403328988.db2.gz HXIQNCIWEHHBDO-UHFFFAOYSA-N 1 3 301.390 2.394 20 0 DEADHO COc1cc2nccc(N3CCC[N@@H+](C)CC3)c2cc1OC ZINC000298197269 403328991 /nfs/dbraw/zinc/32/89/91/403328991.db2.gz HXIQNCIWEHHBDO-UHFFFAOYSA-N 1 3 301.390 2.394 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)NCC2CC[NH2+]CC2)cc1 ZINC000566845743 292271964 /nfs/dbraw/zinc/27/19/64/292271964.db2.gz JIJFSGJISGXGBR-QGZVFWFLSA-N 1 3 318.465 2.109 20 0 DEADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CCCN(C)C ZINC000342947402 403406742 /nfs/dbraw/zinc/40/67/42/403406742.db2.gz RFKAUENYQJJBEX-UHFFFAOYSA-N 1 3 320.389 2.269 20 0 DEADHO C[C@@H](C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000339731447 403432275 /nfs/dbraw/zinc/43/22/75/403432275.db2.gz NEHXOYVPPTUXLO-DFGXFYAUSA-N 1 3 321.509 2.438 20 0 DEADHO Cc1ccc(-c2ncc(CNCC3(O)CC[NH+](C)CC3)s2)o1 ZINC000331647112 403440889 /nfs/dbraw/zinc/44/08/89/403440889.db2.gz YSAANJHHMKJNLV-UHFFFAOYSA-N 1 3 321.446 2.258 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)CCCN1C ZINC000345779834 403481875 /nfs/dbraw/zinc/48/18/75/403481875.db2.gz LTSCJPDXLWYTQT-ZBFHGGJFSA-N 1 3 310.486 2.081 20 0 DEADHO CC[C@@H](NCCC[N@H+](C)CCOC)c1ccc(C(=O)OC)cc1 ZINC000293598668 403514957 /nfs/dbraw/zinc/51/49/57/403514957.db2.gz FXJJKYYQUUDWBV-QGZVFWFLSA-N 1 3 322.449 2.482 20 0 DEADHO CC[C@@H](NCCC[N@@H+](C)CCOC)c1ccc(C(=O)OC)cc1 ZINC000293598668 403514961 /nfs/dbraw/zinc/51/49/61/403514961.db2.gz FXJJKYYQUUDWBV-QGZVFWFLSA-N 1 3 322.449 2.482 20 0 DEADHO c1ncn(-c2ccc(C[NH2+]C3CCN(C4CCC4)CC3)cc2)n1 ZINC000340436967 403615473 /nfs/dbraw/zinc/61/54/73/403615473.db2.gz VBTVKTONNGCEJN-UHFFFAOYSA-N 1 3 311.433 2.374 20 0 DEADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2cccc3c2OCO3)CC1 ZINC000333122307 403671242 /nfs/dbraw/zinc/67/12/42/403671242.db2.gz IJMMHMLFVFRAEP-WBVHZDCISA-N 1 3 318.417 2.134 20 0 DEADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000343866193 403766401 /nfs/dbraw/zinc/76/64/01/403766401.db2.gz JEEYTVPFVPFTNN-HNNXBMFYSA-N 1 3 323.868 2.230 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCC1=CCN(C)CC1 ZINC000343746401 403716629 /nfs/dbraw/zinc/71/66/29/403716629.db2.gz VVLATQHLGIJYIQ-KRWDZBQOSA-N 1 3 322.497 2.058 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NCC1=CCN(C)CC1 ZINC000343746401 403716632 /nfs/dbraw/zinc/71/66/32/403716632.db2.gz VVLATQHLGIJYIQ-KRWDZBQOSA-N 1 3 322.497 2.058 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N(C)CC[NH+]2CCCC2)c1 ZINC000343755616 403720378 /nfs/dbraw/zinc/72/03/78/403720378.db2.gz BDHZMDUCFDWIAK-UHFFFAOYSA-N 1 3 304.438 2.308 20 0 DEADHO CC(=O)NC1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000333315470 403723303 /nfs/dbraw/zinc/72/33/03/403723303.db2.gz SRCREAMLHNEZBN-YXYCDRMUSA-N 1 3 307.482 2.334 20 0 DEADHO C[C@@H]1CCC[C@](CNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)([NH+](C)C)C1 ZINC000341009977 403733997 /nfs/dbraw/zinc/73/39/97/403733997.db2.gz DWHPHEDMWIILTA-KONPQCLYSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000341026887 403741568 /nfs/dbraw/zinc/74/15/68/403741568.db2.gz XNENMLHVOWGLRS-QEOTZNIISA-N 1 3 324.513 2.135 20 0 DEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000341026887 403741571 /nfs/dbraw/zinc/74/15/71/403741571.db2.gz XNENMLHVOWGLRS-QEOTZNIISA-N 1 3 324.513 2.135 20 0 DEADHO C[C@@H]1CCC[C@](CNC(=O)N[C@H]2CCCN(C)[C@@H]2C)([NH+](C)C)C1 ZINC000343850089 403758383 /nfs/dbraw/zinc/75/83/83/403758383.db2.gz KEYDNRBVEKBPPH-CBZIJGRNSA-N 1 3 324.513 2.279 20 0 DEADHO Cc1ccc(OC[C@H](O)CN2CCC(C[NH+](C)C)CC2)c(C)c1 ZINC000341194049 403818998 /nfs/dbraw/zinc/81/89/98/403818998.db2.gz RJWVLSUOPOOERO-GOSISDBHSA-N 1 3 320.477 2.317 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCN1C ZINC000341202488 403828850 /nfs/dbraw/zinc/82/88/50/403828850.db2.gz MPJMTWURSOCKEV-PVAVHDDUSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCN1C ZINC000341202488 403828858 /nfs/dbraw/zinc/82/88/58/403828858.db2.gz MPJMTWURSOCKEV-PVAVHDDUSA-N 1 3 322.497 2.033 20 0 DEADHO Cc1nc(C)c(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)s1 ZINC000343989167 403829148 /nfs/dbraw/zinc/82/91/48/403829148.db2.gz SWNLKWXHJHUZIV-XJKSGUPXSA-N 1 3 322.522 2.218 20 0 DEADHO Cc1nc(C)c(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)s1 ZINC000343989167 403829150 /nfs/dbraw/zinc/82/91/50/403829150.db2.gz SWNLKWXHJHUZIV-XJKSGUPXSA-N 1 3 322.522 2.218 20 0 DEADHO C[C@@H](CNC(=O)c1cccc(CN2CCCCC2)c1)[NH+](C)C ZINC000411373462 403841716 /nfs/dbraw/zinc/84/17/16/403841716.db2.gz IGRDRPQBCPZBDA-HNNXBMFYSA-N 1 3 303.450 2.352 20 0 DEADHO COCC[N@H+](C)CCCC1CCN(Cc2ccnc(C)n2)CC1 ZINC000351687701 403852644 /nfs/dbraw/zinc/85/26/44/403852644.db2.gz YWFZNAOSAWWXQB-UHFFFAOYSA-N 1 3 320.481 2.355 20 0 DEADHO COCC[N@@H+](C)CCCC1CCN(Cc2ccnc(C)n2)CC1 ZINC000351687701 403852651 /nfs/dbraw/zinc/85/26/51/403852651.db2.gz YWFZNAOSAWWXQB-UHFFFAOYSA-N 1 3 320.481 2.355 20 0 DEADHO CN(C(=O)CCCC[NH3+])C1CCN(Cc2ccccc2)CC1 ZINC000309941797 403964529 /nfs/dbraw/zinc/96/45/29/403964529.db2.gz ZTAXNBWIQTWFRC-UHFFFAOYSA-N 1 3 303.450 2.238 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCCCC1 ZINC000354651880 403928570 /nfs/dbraw/zinc/92/85/70/403928570.db2.gz DPRIKGRIVUNWBN-BRWVUGGUSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCCCC1 ZINC000354651880 403928577 /nfs/dbraw/zinc/92/85/77/403928577.db2.gz DPRIKGRIVUNWBN-BRWVUGGUSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)C(=O)N1CCCCC1 ZINC000336863304 403936321 /nfs/dbraw/zinc/93/63/21/403936321.db2.gz FXPGWJLQQZDZOD-OAHLLOKOSA-N 1 3 316.449 2.041 20 0 DEADHO CCC[N@H+](CC[C@@H]1CCCCO1)CCN1CCN(CC)CC1 ZINC000344146404 403940171 /nfs/dbraw/zinc/94/01/71/403940171.db2.gz PVLDEMWEGHKFGA-SFHVURJKSA-N 1 3 311.514 2.295 20 0 DEADHO CCC[N@@H+](CC[C@@H]1CCCCO1)CCN1CCN(CC)CC1 ZINC000344146404 403940178 /nfs/dbraw/zinc/94/01/78/403940178.db2.gz PVLDEMWEGHKFGA-SFHVURJKSA-N 1 3 311.514 2.295 20 0 DEADHO CCC[N@H+](CCN1CCN(CC)CC1)[C@@H](C)c1cccnc1 ZINC000344145377 403940549 /nfs/dbraw/zinc/94/05/49/403940549.db2.gz PBFUEYSWWLJKGX-KRWDZBQOSA-N 1 3 304.482 2.492 20 0 DEADHO CCC[N@@H+](CCN1CCN(CC)CC1)[C@@H](C)c1cccnc1 ZINC000344145377 403940553 /nfs/dbraw/zinc/94/05/53/403940553.db2.gz PBFUEYSWWLJKGX-KRWDZBQOSA-N 1 3 304.482 2.492 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCN(CCCc2nc(-c3ccccc3)no2)C1 ZINC000351848630 403957325 /nfs/dbraw/zinc/95/73/25/403957325.db2.gz DOUKWEDEVXHZJN-ZFWWWQNUSA-N 1 3 300.406 2.338 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000354819088 404034812 /nfs/dbraw/zinc/03/48/12/404034812.db2.gz ZVXGRAHPHKHBFS-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CC(=O)NCCc1ccc([C@@H](C)[NH2+]CC2=CCN(C)CC2)cc1 ZINC000344301907 404041641 /nfs/dbraw/zinc/04/16/41/404041641.db2.gz RWDXSIBYIVXVCY-OAHLLOKOSA-N 1 3 315.461 2.278 20 0 DEADHO Cc1ccccc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000369766440 404222136 /nfs/dbraw/zinc/22/21/36/404222136.db2.gz LRNLPSKVAMJBQP-PKOBYXMFSA-N 1 3 301.478 2.453 20 0 DEADHO C[C@H](CC[NH+](C)C)N[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000363537766 404177464 /nfs/dbraw/zinc/17/74/64/404177464.db2.gz DZDIWACMFSRPAI-ZIFCJYIRSA-N 1 3 319.493 2.206 20 0 DEADHO C[NH+]1CCC([C@H]2CCN(Cc3cc(C(N)=O)cs3)C2)CC1 ZINC000290601070 404236522 /nfs/dbraw/zinc/23/65/22/404236522.db2.gz VXXFMAAVKBYIRQ-ZDUSSCGKSA-N 1 3 307.463 2.011 20 0 DEADHO C[C@H](CC(N)=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000341901503 404243381 /nfs/dbraw/zinc/24/33/81/404243381.db2.gz SIHPMYAZEQRNPA-OAHLLOKOSA-N 1 3 303.450 2.416 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000349938629 404265380 /nfs/dbraw/zinc/26/53/80/404265380.db2.gz QGMYIBDTAUZHTD-IAGOWNOFSA-N 1 3 322.497 2.131 20 0 DEADHO CN(C)Cc1ccc(C(=O)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000296872862 404351948 /nfs/dbraw/zinc/35/19/48/404351948.db2.gz HHCIWROVSDEKJW-UHFFFAOYSA-N 1 3 315.461 2.495 20 0 DEADHO [NH3+]CC[C@H]1CCCCN1CCC(=O)Nc1cc(F)cc(F)c1 ZINC000352512088 404427224 /nfs/dbraw/zinc/42/72/24/404427224.db2.gz VSKNEEVPTZXSIV-OAHLLOKOSA-N 1 3 311.376 2.497 20 0 DEADHO CN1CCC(N2CC[C@@H]([NH2+][C@H]3CCCC34CCOCC4)C2)CC1 ZINC000370298774 404386449 /nfs/dbraw/zinc/38/64/49/404386449.db2.gz QKGUQRZIYTYPEA-AEFFLSMTSA-N 1 3 321.509 2.094 20 0 DEADHO C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC(C[NH+](C)C)CC1 ZINC000350953236 404497200 /nfs/dbraw/zinc/49/72/00/404497200.db2.gz VQZZYMSHWOVUQY-MRXNPFEDSA-N 1 3 317.477 2.307 20 0 DEADHO C[C@H](C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2)CN(C)C ZINC000291759713 404509173 /nfs/dbraw/zinc/50/91/73/404509173.db2.gz RGSFMUJNPMQJNJ-GFCCVEGCSA-N 1 3 316.405 2.093 20 0 DEADHO CCCC[N@H+](C)CCNC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000352675725 404538789 /nfs/dbraw/zinc/53/87/89/404538789.db2.gz GBWIHRMNOANAIH-INIZCTEOSA-N 1 3 312.502 2.138 20 0 DEADHO CCCC[N@@H+](C)CCNC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000352675725 404538794 /nfs/dbraw/zinc/53/87/94/404538794.db2.gz GBWIHRMNOANAIH-INIZCTEOSA-N 1 3 312.502 2.138 20 0 DEADHO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297574970 404570254 /nfs/dbraw/zinc/57/02/54/404570254.db2.gz IAWFKJOUMYEUPX-KBXCAEBGSA-N 1 3 300.450 2.123 20 0 DEADHO C[C@@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000414321419 404576601 /nfs/dbraw/zinc/57/66/01/404576601.db2.gz DXKQYCHCPGNHBM-CQSZACIVSA-N 1 3 315.461 2.272 20 0 DEADHO CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2)[NH+]1CCCCC1 ZINC000567546847 292320834 /nfs/dbraw/zinc/32/08/34/292320834.db2.gz CRAMBWSAEDFQPG-BBWFWOEESA-N 1 3 307.482 2.192 20 0 DEADHO CC[C@H](C)[N@@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414677764 404706098 /nfs/dbraw/zinc/70/60/98/404706098.db2.gz JOFIZMCVLNAPCS-WMZOPIPTSA-N 1 3 317.477 2.484 20 0 DEADHO CC[C@H](C)[N@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414677764 404706101 /nfs/dbraw/zinc/70/61/01/404706101.db2.gz JOFIZMCVLNAPCS-WMZOPIPTSA-N 1 3 317.477 2.484 20 0 DEADHO C[C@H](c1ccccc1F)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414679253 404707019 /nfs/dbraw/zinc/70/70/19/404707019.db2.gz RPBZJYCFORHDFV-ZIAGYGMSSA-N 1 3 307.413 2.016 20 0 DEADHO C[C@H](c1ccccc1F)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414679253 404707023 /nfs/dbraw/zinc/70/70/23/404707023.db2.gz RPBZJYCFORHDFV-ZIAGYGMSSA-N 1 3 307.413 2.016 20 0 DEADHO C[C@H]1C[C@H](CN2CCN(CCc3cccs3)CC2)CC[NH2+]1 ZINC000414669514 404703966 /nfs/dbraw/zinc/70/39/66/404703966.db2.gz BNCFPHUSKTVJIC-JKSUJKDBSA-N 1 3 307.507 2.296 20 0 DEADHO CC(=O)NCCN(Cc1ccc(C)s1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414770481 404729894 /nfs/dbraw/zinc/72/98/94/404729894.db2.gz YCIIAOMTKLIRPI-CJNGLKHVSA-N 1 3 323.506 2.383 20 0 DEADHO C[C@@]1(C[NH2+]C2CCN(Cc3ccncc3)CC2)CCCNC1 ZINC000414918251 404765791 /nfs/dbraw/zinc/76/57/91/404765791.db2.gz TZLLRLNWMUDWPU-GOSISDBHSA-N 1 3 302.466 2.025 20 0 DEADHO C[N@H+](CCc1ccc(Cl)cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414687511 404709014 /nfs/dbraw/zinc/70/90/14/404709014.db2.gz CBJSPQWBRUCHTI-HNNXBMFYSA-N 1 3 323.868 2.012 20 0 DEADHO C[N@@H+](CCc1ccc(Cl)cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414687511 404709018 /nfs/dbraw/zinc/70/90/18/404709018.db2.gz CBJSPQWBRUCHTI-HNNXBMFYSA-N 1 3 323.868 2.012 20 0 DEADHO CCC1(CC)CCC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414760474 404726457 /nfs/dbraw/zinc/72/64/57/404726457.db2.gz QONIRSDCXRXQDH-MRXNPFEDSA-N 1 3 309.498 2.476 20 0 DEADHO CCC1(CC)CCC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414760474 404726459 /nfs/dbraw/zinc/72/64/59/404726459.db2.gz QONIRSDCXRXQDH-MRXNPFEDSA-N 1 3 309.498 2.476 20 0 DEADHO CS[C@@H]1CN(CCN2CCC(C)CC2)C[C@H]1[NH+]1CCCC1 ZINC000358821937 404776752 /nfs/dbraw/zinc/77/67/52/404776752.db2.gz KHSJMWNISLFPHU-IAGOWNOFSA-N 1 3 311.539 2.230 20 0 DEADHO [NH3+]CC1(CC(=O)NC[C@H]2NCCc3ccccc32)CCCCC1 ZINC000375953807 404778503 /nfs/dbraw/zinc/77/85/03/404778503.db2.gz LLEAORQCPFTBHD-QGZVFWFLSA-N 1 3 315.461 2.289 20 0 DEADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000359294162 404788778 /nfs/dbraw/zinc/78/87/78/404788778.db2.gz BEDQNXIITVPRGV-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000415075087 404801297 /nfs/dbraw/zinc/80/12/97/404801297.db2.gz BAOWDLLUXXDDOM-QBPKDAKJSA-N 1 3 309.498 2.234 20 0 DEADHO CNC(=O)c1cccc(CCN[C@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000415082901 404803910 /nfs/dbraw/zinc/80/39/10/404803910.db2.gz MQAOMYJRPCFVML-CRAIPNDOSA-N 1 3 317.477 2.489 20 0 DEADHO CCN1CCN(c2cccc(N[C@H]3CCC[NH2+]CC3)c2)CC1 ZINC000415103891 404807908 /nfs/dbraw/zinc/80/79/08/404807908.db2.gz KLALLTSQLLJHQG-INIZCTEOSA-N 1 3 302.466 2.383 20 0 DEADHO COc1ccsc1CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415104548 404808906 /nfs/dbraw/zinc/80/89/06/404808906.db2.gz HCXQBUIUWWZIPO-XJKSGUPXSA-N 1 3 310.463 2.475 20 0 DEADHO C[C@@H](C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)N1CCCCCC1 ZINC000353439626 404831284 /nfs/dbraw/zinc/83/12/84/404831284.db2.gz XPBVVLXBEJVYML-DOTOQJQBSA-N 1 3 307.482 2.099 20 0 DEADHO COC[C@@]1(C[NH2+][C@@H](C)CCc2ccc3c(c2)OCO3)CCCN1 ZINC000414950945 404773671 /nfs/dbraw/zinc/77/36/71/404773671.db2.gz FYVOHLOUCYHUTJ-KSSFIOAISA-N 1 3 320.433 2.095 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)Nc2ccccc2CCN(C)C)CC[NH2+]1 ZINC000415586029 404889458 /nfs/dbraw/zinc/88/94/58/404889458.db2.gz XXYYIQMTQLGQTR-HIFRSBDPSA-N 1 3 304.438 2.053 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccccn2)CCC1 ZINC000367003380 404894159 /nfs/dbraw/zinc/89/41/59/404894159.db2.gz NTFWXOBGHWREGF-HNNXBMFYSA-N 1 3 315.465 2.102 20 0 DEADHO COc1ccc(CN2CCC(OCC[NH+](C)C)CC2)cc1OC ZINC000353515287 404854428 /nfs/dbraw/zinc/85/44/28/404854428.db2.gz DKPMKHWQUXQYNV-UHFFFAOYSA-N 1 3 322.449 2.246 20 0 DEADHO CC[NH2+][C@H](C)CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000416787288 404910061 /nfs/dbraw/zinc/91/00/61/404910061.db2.gz OBKVJYZPPHGRRL-WBVHZDCISA-N 1 3 318.465 2.121 20 0 DEADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000416804018 404917351 /nfs/dbraw/zinc/91/73/51/404917351.db2.gz JRMRZMYMIWBTFQ-DLBZAZTESA-N 1 3 320.481 2.304 20 0 DEADHO CN(C)[C@H](CNC(=O)NCCC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000416802501 404917597 /nfs/dbraw/zinc/91/75/97/404917597.db2.gz IADOGTGQGLFYJT-IAGOWNOFSA-N 1 3 318.465 2.121 20 0 DEADHO CN(C)[C@H](CNC(=O)N[C@@H](C[NH3+])C1CCCC1)c1ccccc1 ZINC000416814593 404921806 /nfs/dbraw/zinc/92/18/06/404921806.db2.gz VPNMZPOJISQLPT-DLBZAZTESA-N 1 3 318.465 2.106 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]([NH3+])C(C)C)c1ccccc1 ZINC000416839464 404930283 /nfs/dbraw/zinc/93/02/83/404930283.db2.gz KAXGQGDMIZRDGK-SJORKVTESA-N 1 3 320.481 2.352 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000423937538 404937162 /nfs/dbraw/zinc/93/71/62/404937162.db2.gz GUODJMANMKHMAN-SFHVURJKSA-N 1 3 315.461 2.239 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H](C3CC3)C2)CC1 ZINC000367307614 405006428 /nfs/dbraw/zinc/00/64/28/405006428.db2.gz JOBYODUYXIJVMV-INIZCTEOSA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)Cc1cccc(CNC(=O)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000417068601 405025883 /nfs/dbraw/zinc/02/58/83/405025883.db2.gz NMMYYXXKBYCMMX-KRWDZBQOSA-N 1 3 318.465 2.065 20 0 DEADHO CC1(C)CCCN[C@@H]1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000424045454 404982120 /nfs/dbraw/zinc/98/21/20/404982120.db2.gz QFGZMVITXDIYQY-IRJKRNAASA-N 1 3 319.493 2.034 20 0 DEADHO CC(C)(CC[NH3+])NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000424045181 404982269 /nfs/dbraw/zinc/98/22/69/404982269.db2.gz HDNWIQPKHGLSJW-OAHLLOKOSA-N 1 3 321.440 2.281 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]1C[NH3+])c1ccsc1 ZINC000417011498 405000620 /nfs/dbraw/zinc/00/06/20/405000620.db2.gz RZXWVZGQYJCTDT-HUUCEWRRSA-N 1 3 324.494 2.264 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000415995180 405000699 /nfs/dbraw/zinc/00/06/99/405000699.db2.gz KAJASZDYCKJLEB-AWEZNQCLSA-N 1 3 316.449 2.485 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000415995180 405000701 /nfs/dbraw/zinc/00/07/01/405000701.db2.gz KAJASZDYCKJLEB-AWEZNQCLSA-N 1 3 316.449 2.485 20 0 DEADHO C[NH+](C)C1(CNC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000416305073 405096219 /nfs/dbraw/zinc/09/62/19/405096219.db2.gz WBCYFIZGLOPKBO-UHFFFAOYSA-N 1 3 301.434 2.106 20 0 DEADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCSc1ccccc1 ZINC000436062179 405040763 /nfs/dbraw/zinc/04/07/63/405040763.db2.gz ILXHDCFZHXDKSH-OAHLLOKOSA-N 1 3 321.490 2.098 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416189648 405052790 /nfs/dbraw/zinc/05/27/90/405052790.db2.gz JXEUQJMHNVVPDF-OLMNPRSZSA-N 1 3 315.461 2.278 20 0 DEADHO Cc1ccc(CNC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424285098 405058355 /nfs/dbraw/zinc/05/83/55/405058355.db2.gz FCJNSIDVDJMMCL-INIZCTEOSA-N 1 3 315.461 2.075 20 0 DEADHO C[C@H]1CC2(CN1CC(=O)Nc1ccc(F)cc1)CC[NH2+]CC2 ZINC000424298080 405061890 /nfs/dbraw/zinc/06/18/90/405061890.db2.gz TWICOWGJRPOUHG-ZDUSSCGKSA-N 1 3 305.397 2.228 20 0 DEADHO C[C@H](C[NH3+])NC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000417213826 405064373 /nfs/dbraw/zinc/06/43/73/405064373.db2.gz JTXLDNWKJZAGPU-WBVHZDCISA-N 1 3 318.465 2.106 20 0 DEADHO CC[NH2+]CC1CCN(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000417324434 405086936 /nfs/dbraw/zinc/08/69/36/405086936.db2.gz IVUFCWCGWKTJTK-JKSUJKDBSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](NC(=O)N1CCNC(C)(C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417990782 405107865 /nfs/dbraw/zinc/10/78/65/405107865.db2.gz KVCXVJYUIIDYLQ-GJZGRUSLSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](NC(=O)N1CCNC(C)(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000417990782 405107871 /nfs/dbraw/zinc/10/78/71/405107871.db2.gz KVCXVJYUIIDYLQ-GJZGRUSLSA-N 1 3 322.497 2.033 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)NCC[C@@H]1CC[NH2+]C1)c1ccco1 ZINC000418162315 405114984 /nfs/dbraw/zinc/11/49/84/405114984.db2.gz FWIAAHDOTZFKPL-SOUVJXGZSA-N 1 3 322.453 2.008 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC([NH3+])CC1)N(C)C ZINC000418179827 405116451 /nfs/dbraw/zinc/11/64/51/405116451.db2.gz JXBXCLOHXUJQSQ-PBHICJAKSA-N 1 3 318.465 2.119 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000418339729 405122458 /nfs/dbraw/zinc/12/24/58/405122458.db2.gz BLFJINCPIQMCPS-COXVUDFISA-N 1 3 318.465 2.250 20 0 DEADHO CCN(C)c1ccc(CN2CCC(OCC[NH+](C)C)CC2)cn1 ZINC000361547119 405125835 /nfs/dbraw/zinc/12/58/35/405125835.db2.gz DTMZLYZOXKIGEK-UHFFFAOYSA-N 1 3 320.481 2.080 20 0 DEADHO C[C@@H](C(=O)N1CCN(C2CC2)C[C@H](C)C1)[NH+]1CCCCCC1 ZINC000452174821 405202099 /nfs/dbraw/zinc/20/20/99/405202099.db2.gz RDOHCXBMHWGDDY-HOTGVXAUSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H](NC(=O)C12CCCN1CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000367967343 405205030 /nfs/dbraw/zinc/20/50/30/405205030.db2.gz UOHUDRADHMMMSM-HOTGVXAUSA-N 1 3 319.493 2.384 20 0 DEADHO C[C@H](NC(=O)C12CCCN1CCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000367967343 405205034 /nfs/dbraw/zinc/20/50/34/405205034.db2.gz UOHUDRADHMMMSM-HOTGVXAUSA-N 1 3 319.493 2.384 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000418712791 405177285 /nfs/dbraw/zinc/17/72/85/405177285.db2.gz WACZRNACBJRFNZ-MRXNPFEDSA-N 1 3 318.465 2.031 20 0 DEADHO C[C@H](Cc1cnccn1)[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000453055886 405279781 /nfs/dbraw/zinc/27/97/81/405279781.db2.gz BKVABBJYONZDJD-OAHLLOKOSA-N 1 3 314.433 2.138 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)N(C)C ZINC000437848083 405221882 /nfs/dbraw/zinc/22/18/82/405221882.db2.gz ZHFFNXQSFWQRQZ-SJORKVTESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)N(C)C ZINC000437848083 405221886 /nfs/dbraw/zinc/22/18/86/405221886.db2.gz ZHFFNXQSFWQRQZ-SJORKVTESA-N 1 3 309.498 2.486 20 0 DEADHO c1ccc2sc(N3CCN(CC[C@H]4CC[NH2+]C4)CC3)nc2c1 ZINC000420305254 405312176 /nfs/dbraw/zinc/31/21/76/405312176.db2.gz PFZCHXFWUVSCSW-CQSZACIVSA-N 1 3 316.474 2.418 20 0 DEADHO [NH3+]C[C@H]1CN(CCOc2ccc(Cl)cc2)CC12CCOCC2 ZINC000420328485 405321410 /nfs/dbraw/zinc/32/14/10/405321410.db2.gz MPELBCQNRSEZHU-AWEZNQCLSA-N 1 3 324.852 2.406 20 0 DEADHO CCc1cccc(OCCN2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420329853 405322280 /nfs/dbraw/zinc/32/22/80/405322280.db2.gz PEASIMPWBFREBI-KRWDZBQOSA-N 1 3 318.461 2.315 20 0 DEADHO NC[C@@H]1C[N@H+](CCCc2cccc(F)c2)CC12CCOCC2 ZINC000420338947 405324776 /nfs/dbraw/zinc/32/47/76/405324776.db2.gz YJORRUIQWKBPPZ-MRXNPFEDSA-N 1 3 306.425 2.446 20 0 DEADHO NC[C@@H]1C[N@@H+](CCCc2cccc(F)c2)CC12CCOCC2 ZINC000420338947 405324779 /nfs/dbraw/zinc/32/47/79/405324779.db2.gz YJORRUIQWKBPPZ-MRXNPFEDSA-N 1 3 306.425 2.446 20 0 DEADHO Cc1cc(C)cc(NC(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420346639 405327863 /nfs/dbraw/zinc/32/78/63/405327863.db2.gz WZNILCCQQXIFIB-IYBDPMFKSA-N 1 3 301.434 2.173 20 0 DEADHO c1c(CN[C@H]2CCN(C3CCCC3)C2)onc1C1CC[NH2+]CC1 ZINC000425902184 405328210 /nfs/dbraw/zinc/32/82/10/405328210.db2.gz RWGSVUKOAISKRC-HNNXBMFYSA-N 1 3 318.465 2.248 20 0 DEADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(CCOc3ccc(F)cc3)CC2)C1 ZINC000420386700 405340062 /nfs/dbraw/zinc/34/00/62/405340062.db2.gz JKLADDWKBOTXNX-SJLPKXTDSA-N 1 3 322.424 2.423 20 0 DEADHO CCOc1ccccc1NC(=O)CCN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420407745 405345332 /nfs/dbraw/zinc/34/53/32/405345332.db2.gz OPYLXVPWGAMPKP-GJZGRUSLSA-N 1 3 319.449 2.331 20 0 DEADHO CCOc1ccccc1NC(=O)CCN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420407742 405345390 /nfs/dbraw/zinc/34/53/90/405345390.db2.gz OPYLXVPWGAMPKP-CABCVRRESA-N 1 3 319.449 2.331 20 0 DEADHO CCN1CC[C@H]([NH2+]Cc2cc3ccccc3n(C)c2=O)[C@@H](C)C1 ZINC000426354629 405353458 /nfs/dbraw/zinc/35/34/58/405353458.db2.gz UOOZCDAHRITQGG-YOEHRIQHSA-N 1 3 313.445 2.358 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000420789789 405384833 /nfs/dbraw/zinc/38/48/33/405384833.db2.gz YGAMJWJETFAIPO-ZACQAIPSSA-N 1 3 324.513 2.090 20 0 DEADHO CCc1oc(C(=O)OC)cc1CN1CCC(C[NH+](C)C)CC1 ZINC000426998790 405385794 /nfs/dbraw/zinc/38/57/94/405385794.db2.gz HVZRZDCEAMIKFA-UHFFFAOYSA-N 1 3 308.422 2.402 20 0 DEADHO CCN(Cc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1)C1CC1 ZINC000427575514 405413324 /nfs/dbraw/zinc/41/33/24/405413324.db2.gz VCOXYQCKSSLSEG-RDTXWAMCSA-N 1 3 315.461 2.399 20 0 DEADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000426455709 405360725 /nfs/dbraw/zinc/36/07/25/405360725.db2.gz BSWSXHIKNYOHIS-OKZBNKHCSA-N 1 3 315.461 2.280 20 0 DEADHO CN(C)[C@H](CNC(=O)C[N@H+]1CC[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000426455709 405360726 /nfs/dbraw/zinc/36/07/26/405360726.db2.gz BSWSXHIKNYOHIS-OKZBNKHCSA-N 1 3 315.461 2.280 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)CC(C)C ZINC000454608162 405370626 /nfs/dbraw/zinc/37/06/26/405370626.db2.gz FBIBBHVJEXOHIK-YESZJQIVSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)NCCCCC[NH+]1CCCC1 ZINC000454609365 405371193 /nfs/dbraw/zinc/37/11/93/405371193.db2.gz FUFKWTDWUDCEBS-KRWDZBQOSA-N 1 3 324.513 2.426 20 0 DEADHO [NH3+]C[C@H]1CCCN(CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000430624519 405468709 /nfs/dbraw/zinc/46/87/09/405468709.db2.gz IYAGDMOBOCQHOP-QAPCUYQASA-N 1 3 315.461 2.241 20 0 DEADHO CN1CCC[C@@H](CNC(=O)CC[NH2+]C2CC2)[C@H]1c1cccs1 ZINC000577625687 405483331 /nfs/dbraw/zinc/48/33/31/405483331.db2.gz PLRWHJLNFSWCRG-GUYCJALGSA-N 1 3 321.490 2.389 20 0 DEADHO Cc1ccc(CC[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000638586550 405558805 /nfs/dbraw/zinc/55/88/05/405558805.db2.gz SNTJJJKOVWABJG-SFHVURJKSA-N 1 3 301.478 2.296 20 0 DEADHO C[C@H](C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)[C@@H](N)c1ccccc1 ZINC000430735411 405501936 /nfs/dbraw/zinc/50/19/36/405501936.db2.gz YYKHXCOKSVPXOC-CWRNSKLLSA-N 1 3 303.450 2.217 20 0 DEADHO CC[N@H+](C)Cc1cccc(CNC[C@@H](OC)[C@H]2CCOC2)c1 ZINC000638563198 405548287 /nfs/dbraw/zinc/54/82/87/405548287.db2.gz JKTVQUOIVONJFJ-ZWKOTPCHSA-N 1 3 306.450 2.279 20 0 DEADHO CC[N@@H+](C)Cc1cccc(CNC[C@@H](OC)[C@H]2CCOC2)c1 ZINC000638563198 405548294 /nfs/dbraw/zinc/54/82/94/405548294.db2.gz JKTVQUOIVONJFJ-ZWKOTPCHSA-N 1 3 306.450 2.279 20 0 DEADHO CN1CCC(O)(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)CC1 ZINC000638681262 405613476 /nfs/dbraw/zinc/61/34/76/405613476.db2.gz KWGPMOOBGSNRMS-CABCVRRESA-N 1 3 310.482 2.159 20 0 DEADHO CO[C@@H]1COCC[C@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000449457106 405568343 /nfs/dbraw/zinc/56/83/43/405568343.db2.gz NJQPYBGAWLKCFJ-MAUKXSAKSA-N 1 3 310.482 2.425 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H](N)C(C)(C)C)C1 ZINC000431062082 405569763 /nfs/dbraw/zinc/56/97/63/405569763.db2.gz NOAFTPSHAQCUDG-VNQPRFMTSA-N 1 3 303.450 2.312 20 0 DEADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H](N)C(C)(C)C)C1 ZINC000431062082 405569772 /nfs/dbraw/zinc/56/97/72/405569772.db2.gz NOAFTPSHAQCUDG-VNQPRFMTSA-N 1 3 303.450 2.312 20 0 DEADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H](N)C(C)(C)C)C1 ZINC000431062082 405569781 /nfs/dbraw/zinc/56/97/81/405569781.db2.gz NOAFTPSHAQCUDG-VNQPRFMTSA-N 1 3 303.450 2.312 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](CN)c1ccccc1 ZINC000431063091 405570426 /nfs/dbraw/zinc/57/04/26/405570426.db2.gz XLGKXVCDUIFZJX-ZWKOTPCHSA-N 1 3 317.477 2.500 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](CN)c1ccccc1 ZINC000431063091 405570434 /nfs/dbraw/zinc/57/04/34/405570434.db2.gz XLGKXVCDUIFZJX-ZWKOTPCHSA-N 1 3 317.477 2.500 20 0 DEADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000449528346 405599814 /nfs/dbraw/zinc/59/98/14/405599814.db2.gz OUFGAIZWSMSXDX-JKSUJKDBSA-N 1 3 303.450 2.014 20 0 DEADHO CC(C)CN1CCO[C@H](CN[C@@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000422756425 405678380 /nfs/dbraw/zinc/67/83/80/405678380.db2.gz CKTSWVKHQBLUFF-RCCFBDPRSA-N 1 3 311.514 2.244 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](C)C3)CC2)CC1 ZINC000580568869 405647201 /nfs/dbraw/zinc/64/72/01/405647201.db2.gz SLUFZFUDMIPILL-OAHLLOKOSA-N 1 3 307.482 2.051 20 0 DEADHO OCc1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000638749206 405647979 /nfs/dbraw/zinc/64/79/79/405647979.db2.gz KRKXTJYPFRPEAB-MOPGFXCFSA-N 1 3 318.461 2.036 20 0 DEADHO CCCc1cc(NCCN2CCN(C)CC2)c2ccccc2[nH+]1 ZINC000580693609 405668753 /nfs/dbraw/zinc/66/87/53/405668753.db2.gz UMUGMMCUPGEEBV-UHFFFAOYSA-N 1 3 312.461 2.269 20 0 DEADHO C[C@@H]1C[C@@H](CN2CCNC(=O)[C@H]2CC2CCCCC2)CC[NH2+]1 ZINC000422558553 405671129 /nfs/dbraw/zinc/67/11/29/405671129.db2.gz OLDJPDQECBVFRE-HYVNUMGLSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@H](C[NH2+]C[C@H](O)COc1ccccc1F)CN1CCCCC1 ZINC000582176425 405685714 /nfs/dbraw/zinc/68/57/14/405685714.db2.gz SRRIGVRHWDWZTP-CVEARBPZSA-N 1 3 324.440 2.277 20 0 DEADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCCN1CCCCC1 ZINC000422814661 405683898 /nfs/dbraw/zinc/68/38/98/405683898.db2.gz VVKHXVBHXQTAMB-HKUYNNGSSA-N 1 3 315.461 2.318 20 0 DEADHO C[C@H](c1ccncc1)N1CCC([NH2+][C@@H]2CNCC[C@H]2C)CC1 ZINC000422963204 405693810 /nfs/dbraw/zinc/69/38/10/405693810.db2.gz FHOBCDCVOAPMNL-IIDMSEBBSA-N 1 3 302.466 2.195 20 0 DEADHO C[C@H](c1ccncc1)N1CCC(N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422963204 405693814 /nfs/dbraw/zinc/69/38/14/405693814.db2.gz FHOBCDCVOAPMNL-IIDMSEBBSA-N 1 3 302.466 2.195 20 0 DEADHO CCC(O)(CC)CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422971544 405693856 /nfs/dbraw/zinc/69/38/56/405693856.db2.gz JBQNTQWXVKTHKI-MAUKXSAKSA-N 1 3 304.434 2.383 20 0 DEADHO COc1ccc([C@H](CO)CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423172988 405710608 /nfs/dbraw/zinc/71/06/08/405710608.db2.gz WJMAWCJKCFWXBX-DSLXNQLJSA-N 1 3 318.461 2.281 20 0 DEADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H](N)C(C)(C)C ZINC000638834640 405702547 /nfs/dbraw/zinc/70/25/47/405702547.db2.gz HTEGDDBVNXZJKB-HYVNUMGLSA-N 1 3 317.477 2.244 20 0 DEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H](N)C(C)(C)C ZINC000638834640 405702553 /nfs/dbraw/zinc/70/25/53/405702553.db2.gz HTEGDDBVNXZJKB-HYVNUMGLSA-N 1 3 317.477 2.244 20 0 DEADHO CC(C)C[C@H](N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000638835965 405704449 /nfs/dbraw/zinc/70/44/49/405704449.db2.gz OMNLETNLHQACOZ-NXHRZFHOSA-N 1 3 317.477 2.244 20 0 DEADHO CC(C)C[C@H](N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000638835965 405704454 /nfs/dbraw/zinc/70/44/54/405704454.db2.gz OMNLETNLHQACOZ-NXHRZFHOSA-N 1 3 317.477 2.244 20 0 DEADHO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000449720064 405708389 /nfs/dbraw/zinc/70/83/89/405708389.db2.gz IECMPXOXWWHRNC-YOEHRIQHSA-N 1 3 301.434 2.140 20 0 DEADHO C[C@H](CC(=O)N(C)c1ccccc1)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423207515 405722343 /nfs/dbraw/zinc/72/23/43/405722343.db2.gz CVCGKTZWMYHPOF-OWCLPIDISA-N 1 3 303.450 2.406 20 0 DEADHO COc1ccc(Cl)cc1[C@H](C)NCCCN1CC[NH2+]CC1 ZINC000423183879 405713464 /nfs/dbraw/zinc/71/34/64/405713464.db2.gz SCZJVLRMCGUKHL-ZDUSSCGKSA-N 1 3 311.857 2.295 20 0 DEADHO [NH3+]C1(CNC2CCN(Cc3ccccn3)CC2)CCCCC1 ZINC000423185001 405713565 /nfs/dbraw/zinc/71/35/65/405713565.db2.gz UKLCUKFIIKIWBZ-UHFFFAOYSA-N 1 3 302.466 2.297 20 0 DEADHO NC1(C[NH2+]C2CCN(Cc3ccccn3)CC2)CCCCC1 ZINC000423185001 405713567 /nfs/dbraw/zinc/71/35/67/405713567.db2.gz UKLCUKFIIKIWBZ-UHFFFAOYSA-N 1 3 302.466 2.297 20 0 DEADHO C[NH2+]CCc1ccccc1C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000423322468 405759924 /nfs/dbraw/zinc/75/99/24/405759924.db2.gz IPIRSVDPGXOMKI-CVEARBPZSA-N 1 3 317.477 2.441 20 0 DEADHO C[C@@H]([NH2+]CCC1CC(O)C1)c1ccc(OCCN(C)C)cc1 ZINC000432410904 405763049 /nfs/dbraw/zinc/76/30/49/405763049.db2.gz STMWXWXUDRAIJI-HPUBIQBYSA-N 1 3 306.450 2.439 20 0 DEADHO CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]2C[C@@H](C)CCN2)c1 ZINC000423364035 405777476 /nfs/dbraw/zinc/77/74/76/405777476.db2.gz YWJSCFYDXWXVCK-WMLDXEAASA-N 1 3 303.450 2.143 20 0 DEADHO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2C[C@@H](C)CCN2)c1 ZINC000423364035 405777484 /nfs/dbraw/zinc/77/74/84/405777484.db2.gz YWJSCFYDXWXVCK-WMLDXEAASA-N 1 3 303.450 2.143 20 0 DEADHO C[C@@H](N[C@H]1CC[NH2+][C@H](C)C1)c1ccc(OCCN(C)C)cc1 ZINC000423374803 405782406 /nfs/dbraw/zinc/78/24/06/405782406.db2.gz KAZBVBDQRYESQW-INMHGKMJSA-N 1 3 305.466 2.418 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000423381708 405784167 /nfs/dbraw/zinc/78/41/67/405784167.db2.gz NXRLORKNXCRXTA-DOTOQJQBSA-N 1 3 307.482 2.417 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000423381708 405784168 /nfs/dbraw/zinc/78/41/68/405784168.db2.gz NXRLORKNXCRXTA-DOTOQJQBSA-N 1 3 307.482 2.417 20 0 DEADHO Cc1ccc([C@@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000423390137 405785994 /nfs/dbraw/zinc/78/59/94/405785994.db2.gz OGGXZKLHHLZNRF-UKRRQHHQSA-N 1 3 315.383 2.482 20 0 DEADHO Cc1cccc([C@@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000423395485 405788049 /nfs/dbraw/zinc/78/80/49/405788049.db2.gz SROWUFINQYFQHM-HIFRSBDPSA-N 1 3 315.383 2.482 20 0 DEADHO C[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)cc1 ZINC000423400964 405791434 /nfs/dbraw/zinc/79/14/34/405791434.db2.gz XMEMOWFRNHKFQO-BXUZGUMPSA-N 1 3 319.346 2.312 20 0 DEADHO CN[C@@H](CC(C)(C)C)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000638978183 405794387 /nfs/dbraw/zinc/79/43/87/405794387.db2.gz XIFTXMGRUFIPFN-HNNXBMFYSA-N 1 3 321.469 2.113 20 0 DEADHO Cn1cncc1CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000530460186 405807390 /nfs/dbraw/zinc/80/73/90/405807390.db2.gz RZNJERZXDWVYKW-YSIASYRMSA-N 1 3 324.472 2.463 20 0 DEADHO Cn1cncc1CCN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000530460186 405807393 /nfs/dbraw/zinc/80/73/93/405807393.db2.gz RZNJERZXDWVYKW-YSIASYRMSA-N 1 3 324.472 2.463 20 0 DEADHO Cn1cncc1CCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000530460186 405807398 /nfs/dbraw/zinc/80/73/98/405807398.db2.gz RZNJERZXDWVYKW-YSIASYRMSA-N 1 3 324.472 2.463 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)c1ccccc1CC[NH2+]C ZINC000423439205 405807423 /nfs/dbraw/zinc/80/74/23/405807423.db2.gz VJEDFAHFVDWLSA-QGZVFWFLSA-N 1 3 317.477 2.443 20 0 DEADHO COC[C@]1(CN[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CCC[NH2+]1 ZINC000423446905 405809230 /nfs/dbraw/zinc/80/92/30/405809230.db2.gz ZITUKDNAHPAUER-NZSAHSFTSA-N 1 3 317.477 2.008 20 0 DEADHO Cc1cc([C@@H](C)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)oc1C ZINC000423444596 405809271 /nfs/dbraw/zinc/80/92/71/405809271.db2.gz BCWGNZPEQNAQJH-DWQUBVKVSA-N 1 3 319.449 2.194 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H](c2nnc[n-]2)c2ccc(F)cc2)C1 ZINC000423465748 405815612 /nfs/dbraw/zinc/81/56/12/405815612.db2.gz HUHXYRVXKWRCNN-NILFDRSVSA-N 1 3 303.385 2.140 20 0 DEADHO CC(C)N1CC[C@H](N(C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000457386491 405820195 /nfs/dbraw/zinc/82/01/95/405820195.db2.gz JQJCIGQZPYVEOJ-HNNXBMFYSA-N 1 3 324.513 2.420 20 0 DEADHO C[C@@H](C(=O)N1C[C@H](C[NH3+])Cc2ccccc21)N1CCCCCC1 ZINC000639020590 405824618 /nfs/dbraw/zinc/82/46/18/405824618.db2.gz CMIJYLWEUQVMEM-HOTGVXAUSA-N 1 3 315.461 2.415 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000433125931 405874084 /nfs/dbraw/zinc/87/40/84/405874084.db2.gz MLUBHDPSSPWJMM-UAGQMJEPSA-N 1 3 303.450 2.169 20 0 DEADHO CC(C)[C@@H](C[NH3+])C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000433139793 405876945 /nfs/dbraw/zinc/87/69/45/405876945.db2.gz YTESDQNMTOUKKO-MRXNPFEDSA-N 1 3 323.506 2.307 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000433139792 405877194 /nfs/dbraw/zinc/87/71/94/405877194.db2.gz YTESDQNMTOUKKO-INIZCTEOSA-N 1 3 323.506 2.307 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(-n2cncn2)c(F)c1 ZINC000560961431 405881203 /nfs/dbraw/zinc/88/12/03/405881203.db2.gz QLQBIQLPOCFXRM-DZGCQCFKSA-N 1 3 303.385 2.014 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@@H]2COCCO2)CC1 ZINC000450495150 405928299 /nfs/dbraw/zinc/92/82/99/405928299.db2.gz SBXBZCUVIQLLBV-SJLPKXTDSA-N 1 3 310.482 2.378 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@@H]2COCCO2)CC1 ZINC000450495150 405928306 /nfs/dbraw/zinc/92/83/06/405928306.db2.gz SBXBZCUVIQLLBV-SJLPKXTDSA-N 1 3 310.482 2.378 20 0 DEADHO c1n[nH]cc1CCN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000459498775 405931027 /nfs/dbraw/zinc/93/10/27/405931027.db2.gz LLNHNNCISJHNDD-MOPGFXCFSA-N 1 3 310.445 2.406 20 0 DEADHO c1n[nH]cc1CCN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000459498775 405931029 /nfs/dbraw/zinc/93/10/29/405931029.db2.gz LLNHNNCISJHNDD-MOPGFXCFSA-N 1 3 310.445 2.406 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000423742341 405939929 /nfs/dbraw/zinc/93/99/29/405939929.db2.gz KZKPAFVRGZGHFJ-MAUKXSAKSA-N 1 3 317.477 2.485 20 0 DEADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000423749252 405945436 /nfs/dbraw/zinc/94/54/36/405945436.db2.gz RJJWKRGESFHXOL-GOEBONIOSA-N 1 3 323.868 2.358 20 0 DEADHO CC[C@H](C)[C@H](CN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)OC ZINC000639173390 405945847 /nfs/dbraw/zinc/94/58/47/405945847.db2.gz XZWLUEGVTHXNOZ-JQHSSLGASA-N 1 3 311.514 2.148 20 0 DEADHO CC[C@H](C)[C@H](CN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)OC ZINC000639173390 405945849 /nfs/dbraw/zinc/94/58/49/405945849.db2.gz XZWLUEGVTHXNOZ-JQHSSLGASA-N 1 3 311.514 2.148 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000423774775 405959097 /nfs/dbraw/zinc/95/90/97/405959097.db2.gz LRGIZRPCXBEQSR-JOCBIADPSA-N 1 3 315.461 2.011 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000423777054 405960440 /nfs/dbraw/zinc/96/04/40/405960440.db2.gz OMDRMSABPFMFJI-UBDQQSCGSA-N 1 3 315.461 2.011 20 0 DEADHO C[C@H]1CCC[N@H+](CCNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000433567867 405960524 /nfs/dbraw/zinc/96/05/24/405960524.db2.gz ISTHCBLSJKCXKK-DOTOQJQBSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@H]1CCC[N@@H+](CCNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000433567867 405960535 /nfs/dbraw/zinc/96/05/35/405960535.db2.gz ISTHCBLSJKCXKK-DOTOQJQBSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000433567870 405960622 /nfs/dbraw/zinc/96/06/22/405960622.db2.gz ISTHCBLSJKCXKK-WBVHZDCISA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000433567870 405960630 /nfs/dbraw/zinc/96/06/30/405960630.db2.gz ISTHCBLSJKCXKK-WBVHZDCISA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000423780077 405963407 /nfs/dbraw/zinc/96/34/07/405963407.db2.gz WEGAQGULOZXYCP-MAZHCROVSA-N 1 3 323.868 2.447 20 0 DEADHO C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H]2NCCc3ccccc32)cc1 ZINC000423683630 405907146 /nfs/dbraw/zinc/90/71/46/405907146.db2.gz WTQQAYRGKBHHMQ-ACJLOTCBSA-N 1 3 309.413 2.323 20 0 DEADHO COc1cccc(NC(=O)C[C@@H](C)NCC[N@@H+]2CC[C@H](C)C2)c1 ZINC000531984667 406030865 /nfs/dbraw/zinc/03/08/65/406030865.db2.gz NAYLFEQBNBGMLC-LSDHHAIUSA-N 1 3 319.449 2.344 20 0 DEADHO COc1cccc(NC(=O)C[C@@H](C)NCC[N@H+]2CC[C@H](C)C2)c1 ZINC000531984667 406030869 /nfs/dbraw/zinc/03/08/69/406030869.db2.gz NAYLFEQBNBGMLC-LSDHHAIUSA-N 1 3 319.449 2.344 20 0 DEADHO CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2N2CCN(CC)CC2)C1 ZINC000459636976 405993039 /nfs/dbraw/zinc/99/30/39/405993039.db2.gz ASTHLFVAENWKBN-HDICACEKSA-N 1 3 317.477 2.486 20 0 DEADHO CC[C@@H]([NH2+]CCCCN1CCN(CC)CC1)C1CCOCC1 ZINC000531685202 405994916 /nfs/dbraw/zinc/99/49/16/405994916.db2.gz RTVZUHGQQNMCSS-GOSISDBHSA-N 1 3 311.514 2.199 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]CCN2CC[C@@H](C)C2)[C@@H](C)C1 ZINC000532530855 406082670 /nfs/dbraw/zinc/08/26/70/406082670.db2.gz QWAMGZFGFOLXAW-SQNIBIBYSA-N 1 3 311.514 2.055 20 0 DEADHO CCOC(=O)c1cc(CNCC[C@H]2CCC[N@H+](C)C2)[nH]c1C ZINC000459783966 406043446 /nfs/dbraw/zinc/04/34/46/406043446.db2.gz NPKMSWYRUKYVOJ-CQSZACIVSA-N 1 3 307.438 2.321 20 0 DEADHO CCOC(=O)c1cc(CNCC[C@H]2CCC[N@@H+](C)C2)[nH]c1C ZINC000459783966 406043452 /nfs/dbraw/zinc/04/34/52/406043452.db2.gz NPKMSWYRUKYVOJ-CQSZACIVSA-N 1 3 307.438 2.321 20 0 DEADHO CCO[C@@H]1C[C@H](NC[C@@H]2CCC[N@H+](CC3CC3)C2)[C@]12CCCO2 ZINC000639337704 406055515 /nfs/dbraw/zinc/05/55/15/406055515.db2.gz OCDNVCGLVRWVND-INDMIFKZSA-N 1 3 322.493 2.425 20 0 DEADHO CCO[C@@H]1C[C@H](NC[C@@H]2CCC[N@@H+](CC3CC3)C2)[C@]12CCCO2 ZINC000639337704 406055519 /nfs/dbraw/zinc/05/55/19/406055519.db2.gz OCDNVCGLVRWVND-INDMIFKZSA-N 1 3 322.493 2.425 20 0 DEADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)[C@]12CCCO2 ZINC000639337704 406055521 /nfs/dbraw/zinc/05/55/21/406055521.db2.gz OCDNVCGLVRWVND-INDMIFKZSA-N 1 3 322.493 2.425 20 0 DEADHO CC(C)CN1CCC([NH2+]C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000565594399 406074267 /nfs/dbraw/zinc/07/42/67/406074267.db2.gz VTHTYPNJZHKOPT-SFHVURJKSA-N 1 3 308.441 2.439 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000636988227 406143344 /nfs/dbraw/zinc/14/33/44/406143344.db2.gz GPZWAWQFGQOPLP-INIZCTEOSA-N 1 3 310.486 2.036 20 0 DEADHO CN1CCC[C@@H](CNC(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000518682171 406152386 /nfs/dbraw/zinc/15/23/86/406152386.db2.gz URLADOYVGZFVTQ-INIZCTEOSA-N 1 3 324.513 2.282 20 0 DEADHO FC(F)(F)c1ccn(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000634686663 406225483 /nfs/dbraw/zinc/22/54/83/406225483.db2.gz PJAVXTKPJFSSDQ-NWDGAFQWSA-N 1 3 302.344 2.118 20 0 DEADHO FC(F)(F)c1ccn(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000634686663 406225488 /nfs/dbraw/zinc/22/54/88/406225488.db2.gz PJAVXTKPJFSSDQ-NWDGAFQWSA-N 1 3 302.344 2.118 20 0 DEADHO CCC(C)(C)OCCNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634716244 406242648 /nfs/dbraw/zinc/24/26/48/406242648.db2.gz RBZUZOIIPVKTOB-LJQANCHMSA-N 1 3 320.477 2.418 20 0 DEADHO CCC(C)(C)OCCNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634716244 406242652 /nfs/dbraw/zinc/24/26/52/406242652.db2.gz RBZUZOIIPVKTOB-LJQANCHMSA-N 1 3 320.477 2.418 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000568999247 292383157 /nfs/dbraw/zinc/38/31/57/292383157.db2.gz VTUXFACGGFLEDQ-RZLSGREXSA-N 1 3 306.454 2.103 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCC[C@@H]3C)CC2)CC1 ZINC000569375868 406247157 /nfs/dbraw/zinc/24/71/57/406247157.db2.gz GHFLOWXHPKXFTA-MAUKXSAKSA-N 1 3 321.509 2.488 20 0 DEADHO OCC1([C@H](NCCC[NH+]2CCCCC2)[C@@H]2CCCO2)CCC1 ZINC000639770045 406243605 /nfs/dbraw/zinc/24/36/05/406243605.db2.gz ZWWNLMTYWIAWDV-DLBZAZTESA-N 1 3 310.482 2.162 20 0 DEADHO Cc1cc(CN[C@H]2CC[NH2+]CC(C)(C)C2)ccc1-n1cncn1 ZINC000634732987 406252997 /nfs/dbraw/zinc/25/29/97/406252997.db2.gz TURSMAQDSRDZPP-INIZCTEOSA-N 1 3 313.449 2.444 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)[C@@H](N)c1ccccc1 ZINC000634753668 406266373 /nfs/dbraw/zinc/26/63/73/406266373.db2.gz KZVKUNXPIGJNDF-NUEKZKHPSA-N 1 3 303.450 2.217 20 0 DEADHO O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)c1cccc(CN2CCCC2)c1 ZINC000634768793 406274752 /nfs/dbraw/zinc/27/47/52/406274752.db2.gz YXEGZBGGEYONNB-MJGOQNOKSA-N 1 3 313.445 2.154 20 0 DEADHO C[C@H]1C[C@H]1C[NH+]1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000488355986 406313880 /nfs/dbraw/zinc/31/38/80/406313880.db2.gz YLFORRACRLKIMZ-HKUYNNGSSA-N 1 3 301.478 2.392 20 0 DEADHO N[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)c2ccccc21 ZINC000569919044 406319397 /nfs/dbraw/zinc/31/93/97/406319397.db2.gz DURZFNWZQHVSPN-XWSJACJDSA-N 1 3 315.461 2.364 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000637473441 406320656 /nfs/dbraw/zinc/32/06/56/406320656.db2.gz QFJPOIDNHLVSIN-NVXWUHKLSA-N 1 3 322.497 2.175 20 0 DEADHO [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000632869846 406299594 /nfs/dbraw/zinc/29/95/94/406299594.db2.gz QQHCUFPVRHRVGF-KBXCAEBGSA-N 1 3 321.424 2.385 20 0 DEADHO CC[C@](C)([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1ccc(F)cc1 ZINC000634998452 406392410 /nfs/dbraw/zinc/39/24/10/406392410.db2.gz FXOIWHQPPPWOSM-KDOFPFPSSA-N 1 3 321.440 2.238 20 0 DEADHO c1ccc(N2CCC([NH2+]Cc3cccc4c3CCNC4)CC2)nc1 ZINC000635010418 406398847 /nfs/dbraw/zinc/39/88/47/406398847.db2.gz KSMLOJXYWQNQQX-UHFFFAOYSA-N 1 3 322.456 2.486 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000524300466 406444839 /nfs/dbraw/zinc/44/48/39/406444839.db2.gz QNHYOEMISFOUDD-HUUCEWRRSA-N 1 3 321.490 2.028 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000524300466 406444844 /nfs/dbraw/zinc/44/48/44/406444844.db2.gz QNHYOEMISFOUDD-HUUCEWRRSA-N 1 3 321.490 2.028 20 0 DEADHO CN1CCC(Nc2ccccc2NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000524300124 406445364 /nfs/dbraw/zinc/44/53/64/406445364.db2.gz AAIOLBGALAQMFB-CQSZACIVSA-N 1 3 316.449 2.083 20 0 DEADHO CN1CCC(Nc2ccccc2NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000524300124 406445367 /nfs/dbraw/zinc/44/53/67/406445367.db2.gz AAIOLBGALAQMFB-CQSZACIVSA-N 1 3 316.449 2.083 20 0 DEADHO O=C([C@@H]1CCN1C1CCCC1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000635612537 406623042 /nfs/dbraw/zinc/62/30/42/406623042.db2.gz IPGFSNCIEFOOQC-AEFFLSMTSA-N 1 3 319.493 2.338 20 0 DEADHO CO[C@H](CN1CCC[C@@H]([NH+]2CCCC2)CC1)C1CCOCC1 ZINC000638104993 406571720 /nfs/dbraw/zinc/57/17/20/406571720.db2.gz ODLUDHGPNATBPU-QZTJIDSGSA-N 1 3 310.482 2.378 20 0 DEADHO CC[NH2+][C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000638103612 406571772 /nfs/dbraw/zinc/57/17/72/406571772.db2.gz RPWZVVUCBIJEKV-BFYDXBDKSA-N 1 3 303.450 2.154 20 0 DEADHO C[C@H]1CCN(C(=O)CCC2C[NH2+]C2)CCN1Cc1ccccc1 ZINC000638131785 406586382 /nfs/dbraw/zinc/58/63/82/406586382.db2.gz RVIYXSPKFCTMSW-INIZCTEOSA-N 1 3 315.461 2.109 20 0 DEADHO CN(C)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000549618983 406588136 /nfs/dbraw/zinc/58/81/36/406588136.db2.gz YLHBHXZBZDSHIP-UKRRQHHQSA-N 1 3 309.841 2.011 20 0 DEADHO CN(C)C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000549618983 406588139 /nfs/dbraw/zinc/58/81/39/406588139.db2.gz YLHBHXZBZDSHIP-UKRRQHHQSA-N 1 3 309.841 2.011 20 0 DEADHO CC1(C)CN[C@H]1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000645928103 406704412 /nfs/dbraw/zinc/70/44/12/406704412.db2.gz WWNQRHSLFOJQNP-CVEARBPZSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC000572303100 406642190 /nfs/dbraw/zinc/64/21/90/406642190.db2.gz YWQSKJOLBFHNNH-PBHICJAKSA-N 1 3 301.434 2.080 20 0 DEADHO CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@@H]3C[C@@H]3N)ccc21 ZINC000645810623 406643117 /nfs/dbraw/zinc/64/31/17/406643117.db2.gz QAYHCHCTFDKTIF-CVEARBPZSA-N 1 3 314.433 2.269 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NC1CC(OCc2ccccc2)C1 ZINC000572868789 406755046 /nfs/dbraw/zinc/75/50/46/406755046.db2.gz GEKXQMOGFZGBBG-AZDPWQEDSA-N 1 3 304.434 2.076 20 0 DEADHO Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)c1 ZINC000572870276 406755204 /nfs/dbraw/zinc/75/52/04/406755204.db2.gz JCCHVIRIFYFRFQ-BRWVUGGUSA-N 1 3 306.450 2.197 20 0 DEADHO CC1CCC(O)(C[NH2+]Cc2ccnc(OCCN(C)C)c2)CC1 ZINC000569332553 292405867 /nfs/dbraw/zinc/40/58/67/292405867.db2.gz WMMSGSJGONFSDO-UHFFFAOYSA-N 1 3 321.465 2.053 20 0 DEADHO CC[C@@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000577515389 406840723 /nfs/dbraw/zinc/84/07/23/406840723.db2.gz UGZRAZKKKNVTNR-KSZLIROESA-N 1 3 315.461 2.237 20 0 DEADHO O=C(C[C@H]1CC[NH2+]C1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000646410132 406859521 /nfs/dbraw/zinc/85/95/21/406859521.db2.gz SYJWYMIMDXDVDO-AEFFLSMTSA-N 1 3 315.461 2.329 20 0 DEADHO C[C@H]([NH3+])CCC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000646410109 406860271 /nfs/dbraw/zinc/86/02/71/406860271.db2.gz QYMRAWGXBRQSMC-RDJZCZTQSA-N 1 3 303.450 2.457 20 0 DEADHO CCn1cc(CNCCOCC[NH+](C)C)c(-c2ccccc2)n1 ZINC000641748175 406883396 /nfs/dbraw/zinc/88/33/96/406883396.db2.gz PAURFXRHSGBUDY-UHFFFAOYSA-N 1 3 316.449 2.238 20 0 DEADHO CC[C@@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000577515389 406840728 /nfs/dbraw/zinc/84/07/28/406840728.db2.gz UGZRAZKKKNVTNR-KSZLIROESA-N 1 3 315.461 2.237 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)CO1 ZINC000647172061 406964343 /nfs/dbraw/zinc/96/43/43/406964343.db2.gz GWUURVVOMRKXOJ-QZTJIDSGSA-N 1 3 317.477 2.356 20 0 DEADHO C[NH+](C)CCCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000643207328 406960686 /nfs/dbraw/zinc/96/06/86/406960686.db2.gz CMPYDBQFJWQSAP-KRWDZBQOSA-N 1 3 318.465 2.074 20 0 DEADHO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCNC3(CCC3)C2)C12CCOCC2 ZINC000643547166 407013037 /nfs/dbraw/zinc/01/30/37/407013037.db2.gz AMFGIOZXSCKPGO-ARFHVFGLSA-N 1 3 308.466 2.225 20 0 DEADHO CCO[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C3(CCC3)C2)C12CCOCC2 ZINC000643547166 407013038 /nfs/dbraw/zinc/01/30/38/407013038.db2.gz AMFGIOZXSCKPGO-ARFHVFGLSA-N 1 3 308.466 2.225 20 0 DEADHO CN(C)c1ncc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647543654 407017800 /nfs/dbraw/zinc/01/78/00/407017800.db2.gz QWNYJSIYLNDUAN-KGLIPLIRSA-N 1 3 308.495 2.421 20 0 DEADHO Cc1cc(CCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)on1 ZINC000643489062 407006696 /nfs/dbraw/zinc/00/66/96/407006696.db2.gz MSELRGDKINMZPH-SJLPKXTDSA-N 1 3 313.401 2.371 20 0 DEADHO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)NC1CCCCC1 ZINC000647975310 407091922 /nfs/dbraw/zinc/09/19/22/407091922.db2.gz VRLICMIEHAIQQM-CVEARBPZSA-N 1 3 307.482 2.147 20 0 DEADHO CNC(=O)c1cccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647977385 407092822 /nfs/dbraw/zinc/09/28/22/407092822.db2.gz ANYHHPCAZPANKZ-ZWKOTPCHSA-N 1 3 315.461 2.258 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000647961578 407086526 /nfs/dbraw/zinc/08/65/26/407086526.db2.gz RELROOAMLYXVJQ-ZSYWTGECSA-N 1 3 323.525 2.028 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000647961578 407086528 /nfs/dbraw/zinc/08/65/28/407086528.db2.gz RELROOAMLYXVJQ-ZSYWTGECSA-N 1 3 323.525 2.028 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000647961575 407086546 /nfs/dbraw/zinc/08/65/46/407086546.db2.gz RELROOAMLYXVJQ-FCGDIQPGSA-N 1 3 323.525 2.028 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000647961575 407086548 /nfs/dbraw/zinc/08/65/48/407086548.db2.gz RELROOAMLYXVJQ-FCGDIQPGSA-N 1 3 323.525 2.028 20 0 DEADHO CN(C)C[C@@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)c1ccc(Cl)cc1 ZINC000648153922 407126872 /nfs/dbraw/zinc/12/68/72/407126872.db2.gz GCAVLGQOOBYWQO-KGLIPLIRSA-N 1 3 309.841 2.057 20 0 DEADHO COc1ccccc1C(C)(C)CNC[C@H](O)C[N@H+](C)C1CC1 ZINC000644531341 407136958 /nfs/dbraw/zinc/13/69/58/407136958.db2.gz MXZFPIUKRICWRJ-HNNXBMFYSA-N 1 3 306.450 2.018 20 0 DEADHO COc1ccccc1C(C)(C)CNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000644531341 407136961 /nfs/dbraw/zinc/13/69/61/407136961.db2.gz MXZFPIUKRICWRJ-HNNXBMFYSA-N 1 3 306.450 2.018 20 0 DEADHO C[C@H](C(=O)N[C@H]1CC[NH2+]C12CCCC2)[C@H](N)c1ccccc1 ZINC000648205698 407138147 /nfs/dbraw/zinc/13/81/47/407138147.db2.gz LLIOKVCTKWMBIS-BPUTZDHNSA-N 1 3 301.434 2.113 20 0 DEADHO O[C@H](C[NH2+]C1CC(N2CCCCC2)C1)COCc1cccs1 ZINC000644636814 407157501 /nfs/dbraw/zinc/15/75/01/407157501.db2.gz XOKPKCNCLATBJL-UYSNPLJNSA-N 1 3 324.490 2.232 20 0 DEADHO CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)cc1 ZINC000644821931 407199848 /nfs/dbraw/zinc/19/98/48/407199848.db2.gz NIGVFQDKIXBVMP-QZTJIDSGSA-N 1 3 315.461 2.305 20 0 DEADHO CCCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[C@H]1CCN(C)C1 ZINC000645354205 407267922 /nfs/dbraw/zinc/26/79/22/407267922.db2.gz QDEQAQLLPKDIKW-CABCVRRESA-N 1 3 312.502 2.088 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000645506838 407286957 /nfs/dbraw/zinc/28/69/57/407286957.db2.gz CIDPDTPQVUURMB-JKSUJKDBSA-N 1 3 312.502 2.233 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000645506838 407286960 /nfs/dbraw/zinc/28/69/60/407286960.db2.gz CIDPDTPQVUURMB-JKSUJKDBSA-N 1 3 312.502 2.233 20 0 DEADHO CC1(C)CN[C@@H]1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000645653386 407295988 /nfs/dbraw/zinc/29/59/88/407295988.db2.gz NCCDKQTVZXOJAD-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO CC1(C)CN[C@@H]1C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000645653386 407295989 /nfs/dbraw/zinc/29/59/89/407295989.db2.gz NCCDKQTVZXOJAD-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]Cc2ccncc2OCCN(C)C)C[C@H](C)O1 ZINC000570397206 292480777 /nfs/dbraw/zinc/48/07/77/292480777.db2.gz UFNQKRFTHHVFIZ-FOLVSLTJSA-N 1 3 307.438 2.068 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H](C)C[C@H](C)[NH3+])c1ccco1 ZINC000571082875 292525241 /nfs/dbraw/zinc/52/52/41/292525241.db2.gz WEFVSSFNJLSENO-IGQOVBAYSA-N 1 3 310.442 2.134 20 0 DEADHO CC(C)[C@H](CNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)[NH+]1CCCC1 ZINC000129001478 196010944 /nfs/dbraw/zinc/01/09/44/196010944.db2.gz WCZKRRJOOOPDRT-VYDXJSESSA-N 1 3 322.497 2.031 20 0 DEADHO COC[C@@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)C(C)C ZINC000132768066 196281174 /nfs/dbraw/zinc/28/11/74/196281174.db2.gz MCVHRXSPOCOBLM-LJQANCHMSA-N 1 3 320.477 2.404 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)/C=C\CN(C)C)C1 ZINC000491869214 287273063 /nfs/dbraw/zinc/27/30/63/287273063.db2.gz MRKQMKKYXVSZPS-GJWDQICYSA-N 1 3 307.482 2.217 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)/C=C\CN(C)C)C1 ZINC000491869214 287273065 /nfs/dbraw/zinc/27/30/65/287273065.db2.gz MRKQMKKYXVSZPS-GJWDQICYSA-N 1 3 307.482 2.217 20 0 DEADHO COCC1(CNCc2ccccc2OC(F)F)CC[NH2+]CC1 ZINC000414963748 228600590 /nfs/dbraw/zinc/60/05/90/228600590.db2.gz XKTNYAJIFYERLJ-UHFFFAOYSA-N 1 3 314.376 2.394 20 0 DEADHO Fc1ccc(CN2CCC(N[C@H]3CCC[NH2+]C3)CC2)cc1F ZINC000415107356 228632810 /nfs/dbraw/zinc/63/28/10/228632810.db2.gz NSTLENYVIBCVCF-HNNXBMFYSA-N 1 3 309.404 2.271 20 0 DEADHO C[C@@]1(O)C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C1 ZINC000417391893 229018939 /nfs/dbraw/zinc/01/89/39/229018939.db2.gz AWPKWXZOMGJDPN-NNIGNNQHSA-N 1 3 300.446 2.400 20 0 DEADHO C[C@@]1(O)C[C@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000417391893 229018943 /nfs/dbraw/zinc/01/89/43/229018943.db2.gz AWPKWXZOMGJDPN-NNIGNNQHSA-N 1 3 300.446 2.400 20 0 DEADHO C[C@@]1(O)C[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000417391893 229018944 /nfs/dbraw/zinc/01/89/44/229018944.db2.gz AWPKWXZOMGJDPN-NNIGNNQHSA-N 1 3 300.446 2.400 20 0 DEADHO [NH3+]CCC[C@H](NC(=O)c1ccc2c(c1)CNC2)c1ccccc1 ZINC000417825937 229115338 /nfs/dbraw/zinc/11/53/38/229115338.db2.gz CVBGUYFZPBPILF-SFHVURJKSA-N 1 3 309.413 2.500 20 0 DEADHO C[C@H](C[NH3+])N(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000417835789 229118584 /nfs/dbraw/zinc/11/85/84/229118584.db2.gz LHZIHEDEAZZGPI-INMHGKMJSA-N 1 3 318.465 2.028 20 0 DEADHO C[C@@H](NC(C)(C)CNC(=O)N(C)C1CC([NH3+])C1)c1ccccc1 ZINC000417626416 229061424 /nfs/dbraw/zinc/06/14/24/229061424.db2.gz NCSLEBQVBRJGST-IUDNXUCKSA-N 1 3 318.465 2.247 20 0 DEADHO C[C@@H]1[C@H](NC(=O)N[C@H](CCC[NH3+])c2ccccc2)CCCN1C ZINC000417995891 229178637 /nfs/dbraw/zinc/17/86/37/229178637.db2.gz DOGZOCKLXRNSEJ-DJIMGWMZSA-N 1 3 318.465 2.249 20 0 DEADHO NC[C@@H](NC(=O)NCC1=CC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000418503691 229369455 /nfs/dbraw/zinc/36/94/55/229369455.db2.gz ZHHBUDBPAWLODG-GOSISDBHSA-N 1 3 324.428 2.059 20 0 DEADHO CN(C[C@@H]1CCCN1C)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000422036154 230056633 /nfs/dbraw/zinc/05/66/33/230056633.db2.gz MUKFDJGQPVHTLH-DLBZAZTESA-N 1 3 303.450 2.232 20 0 DEADHO CN(C[C@@H]1CCCN1C)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000422036157 230057864 /nfs/dbraw/zinc/05/78/64/230057864.db2.gz MUKFDJGQPVHTLH-IRXDYDNUSA-N 1 3 303.450 2.232 20 0 DEADHO C[C@@H]1C[C@H](C)N(CCCOc2ccc3c(c2)OCO3)C[C@@H]1C[NH3+] ZINC000422639159 230161450 /nfs/dbraw/zinc/16/14/50/230161450.db2.gz SFQAIGZYGXWARW-ILXRZTDVSA-N 1 3 320.433 2.489 20 0 DEADHO C[C@@H]1C[C@H](C)[N@H+](CCCOc2ccc3c(c2)OCO3)C[C@@H]1CN ZINC000422639159 230161453 /nfs/dbraw/zinc/16/14/53/230161453.db2.gz SFQAIGZYGXWARW-ILXRZTDVSA-N 1 3 320.433 2.489 20 0 DEADHO C[C@@H]1C[C@H](C)[N@@H+](CCCOc2ccc3c(c2)OCO3)C[C@@H]1CN ZINC000422639159 230161458 /nfs/dbraw/zinc/16/14/58/230161458.db2.gz SFQAIGZYGXWARW-ILXRZTDVSA-N 1 3 320.433 2.489 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(CN2CCCC2=O)cc1 ZINC000422722501 230176490 /nfs/dbraw/zinc/17/64/90/230176490.db2.gz YCYYQZXUSKKVRJ-ROUUACIJSA-N 1 3 315.461 2.416 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000422768834 230200629 /nfs/dbraw/zinc/20/06/29/230200629.db2.gz UZKNYZHNJJHESG-UNQWWWNPSA-N 1 3 321.440 2.136 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000422768834 230200634 /nfs/dbraw/zinc/20/06/34/230200634.db2.gz UZKNYZHNJJHESG-UNQWWWNPSA-N 1 3 321.440 2.136 20 0 DEADHO Cc1cccc2c(CC[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)N)c[nH]c21 ZINC000422777448 230205561 /nfs/dbraw/zinc/20/55/61/230205561.db2.gz FZVUPLRPDUZHEO-IAOVAPTHSA-N 1 3 301.434 2.361 20 0 DEADHO c1cn(Cc2ccccc2)c(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000422815228 230223353 /nfs/dbraw/zinc/22/33/53/230223353.db2.gz AZBIEIVBAJNGRV-JWTNVVGKSA-N 1 3 310.445 2.347 20 0 DEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCc1cn2ccccc2n1 ZINC000422819987 230224559 /nfs/dbraw/zinc/22/45/59/230224559.db2.gz OREWYUHEMHPGQU-YJBOKZPZSA-N 1 3 308.429 2.425 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000422908791 230271541 /nfs/dbraw/zinc/27/15/41/230271541.db2.gz ZHRSGFBFMTYPHA-HRCADAONSA-N 1 3 305.466 2.123 20 0 DEADHO c1ccc(C[C@@H]2C[C@@H]2N[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422927088 230279653 /nfs/dbraw/zinc/27/96/53/230279653.db2.gz YFVHKCPUDOPHHD-FQBWVUSXSA-N 1 3 300.446 2.364 20 0 DEADHO C[C@H]1CC[NH2+]CC[C@H]1NCCOc1ccc(C(F)(F)F)cn1 ZINC000422995441 230309603 /nfs/dbraw/zinc/30/96/03/230309603.db2.gz XZYCQJWUBHBRND-WCQYABFASA-N 1 3 317.355 2.457 20 0 DEADHO COC[C@H](CCC[NH3+])N[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000423017220 230317779 /nfs/dbraw/zinc/31/77/79/230317779.db2.gz VYYIPZPKLHJSLP-YJBOKZPZSA-N 1 3 316.449 2.336 20 0 DEADHO N[C@@H]1C[C@H]([NH2+][C@H](CO)Cc2ccc(F)cc2)c2ccccc21 ZINC000423068634 230337970 /nfs/dbraw/zinc/33/79/70/230337970.db2.gz CJSYTNFZCFAVOR-QGTPRVQTSA-N 1 3 300.377 2.464 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000423072354 230338145 /nfs/dbraw/zinc/33/81/45/230338145.db2.gz GYDQRNZYIBBLHL-ZMSDIMECSA-N 1 3 307.507 2.319 20 0 DEADHO C[C@H](NCCc1cnc(SC2CCCC2)nc1)C1C[NH2+]C1 ZINC000423133497 230361163 /nfs/dbraw/zinc/36/11/63/230361163.db2.gz KUYUXHZZRMRZQY-LBPRGKRZSA-N 1 3 306.479 2.251 20 0 DEADHO C[C@H]([NH2+]CCc1cnc(SC2CCCC2)nc1)C1CNC1 ZINC000423133497 230361166 /nfs/dbraw/zinc/36/11/66/230361166.db2.gz KUYUXHZZRMRZQY-LBPRGKRZSA-N 1 3 306.479 2.251 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000648785397 424907182 /nfs/dbraw/zinc/90/71/82/424907182.db2.gz IWEXTJZFCZYWHB-KBAYOESNSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC[N@H+]1C ZINC000648785397 424907183 /nfs/dbraw/zinc/90/71/83/424907183.db2.gz IWEXTJZFCZYWHB-KBAYOESNSA-N 1 3 315.461 2.107 20 0 DEADHO CC(C)[NH2+]CCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000390820116 424917459 /nfs/dbraw/zinc/91/74/59/424917459.db2.gz VPGSLEWKCGOLOT-UHFFFAOYSA-N 1 3 303.450 2.155 20 0 DEADHO CC(C)C[C@H](C[NH3+])CC(=O)NCc1ccccc1CN(C)C ZINC000315986967 424897654 /nfs/dbraw/zinc/89/76/54/424897654.db2.gz OMOYVTRMKOLZJO-HNNXBMFYSA-N 1 3 305.466 2.376 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2NCC2(C)C)CC1 ZINC000649378645 425005175 /nfs/dbraw/zinc/00/51/75/425005175.db2.gz QMSLYOPPIVSUBV-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2NCC2(C)C)CC1 ZINC000649378645 425005177 /nfs/dbraw/zinc/00/51/77/425005177.db2.gz QMSLYOPPIVSUBV-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000649293980 424985825 /nfs/dbraw/zinc/98/58/25/424985825.db2.gz VOTWSAPTIIYZIS-SJORKVTESA-N 1 3 301.434 2.082 20 0 DEADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)[C@H](N)Cc2ccccc2)C1 ZINC000649293739 424986877 /nfs/dbraw/zinc/98/68/77/424986877.db2.gz HSEIHUAPUGOIJR-XYJFISCASA-N 1 3 317.477 2.041 20 0 DEADHO C[C@H](c1ccccc1)[C@H](O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000649351899 424999579 /nfs/dbraw/zinc/99/95/79/424999579.db2.gz NEOIMLDDXPKBGF-VQIMIIECSA-N 1 3 311.429 2.368 20 0 DEADHO COc1ccccc1CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650705298 425038687 /nfs/dbraw/zinc/03/86/87/425038687.db2.gz BTGPWOWOLXJHCR-JZXOWHBKSA-N 1 3 304.434 2.414 20 0 DEADHO CCn1nc(C)c(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1C ZINC000650706602 425039168 /nfs/dbraw/zinc/03/91/68/425039168.db2.gz OJEURVSDXGBMEQ-BQFCYCMXSA-N 1 3 320.481 2.238 20 0 DEADHO CC(C)(C)n1cc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cn1 ZINC000650706436 425039189 /nfs/dbraw/zinc/03/91/89/425039189.db2.gz KOFIQLLMWQVXCI-ULQDDVLXSA-N 1 3 320.481 2.356 20 0 DEADHO COc1ccsc1CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707783 425039785 /nfs/dbraw/zinc/03/97/85/425039785.db2.gz MXYWACOUBFGZNW-KCQAQPDRSA-N 1 3 310.463 2.475 20 0 DEADHO CCc1ncc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000650707779 425039921 /nfs/dbraw/zinc/03/99/21/425039921.db2.gz MXTGTOVDFZCPSF-KCQAQPDRSA-N 1 3 309.479 2.424 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)N1CCN(C2CCCC2)CC1 ZINC000651192008 425113502 /nfs/dbraw/zinc/11/35/02/425113502.db2.gz YDJAQWYVNCWRTL-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)N1CCN(C2CCCC2)CC1 ZINC000651192008 425113505 /nfs/dbraw/zinc/11/35/05/425113505.db2.gz YDJAQWYVNCWRTL-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO CCCN1CCN(c2ccccc2C[N@H+](C)[C@H](C)CCO)CC1 ZINC000652048546 425169870 /nfs/dbraw/zinc/16/98/70/425169870.db2.gz OXUSWLPVBZFZJC-QGZVFWFLSA-N 1 3 319.493 2.421 20 0 DEADHO CCCN1CCN(c2ccccc2C[N@@H+](C)[C@H](C)CCO)CC1 ZINC000652048546 425169874 /nfs/dbraw/zinc/16/98/74/425169874.db2.gz OXUSWLPVBZFZJC-QGZVFWFLSA-N 1 3 319.493 2.421 20 0 DEADHO C(c1nc2c(s1)CNCC2)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000663498871 425171939 /nfs/dbraw/zinc/17/19/39/425171939.db2.gz UYTDAVZFWIJKRZ-CQSZACIVSA-N 1 3 320.506 2.000 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](C3CCCCC3)C2)C1 ZINC000663503497 425174288 /nfs/dbraw/zinc/17/42/88/425174288.db2.gz NYUOCTWSRDISRX-SJLPKXTDSA-N 1 3 321.509 2.476 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H](C3CCCCC3)C2)C1 ZINC000663503497 425174296 /nfs/dbraw/zinc/17/42/96/425174296.db2.gz NYUOCTWSRDISRX-SJLPKXTDSA-N 1 3 321.509 2.476 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000660636775 425183019 /nfs/dbraw/zinc/18/30/19/425183019.db2.gz VCRKIFLDWFHFKE-QGZVFWFLSA-N 1 3 324.513 2.426 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000660634254 425184805 /nfs/dbraw/zinc/18/48/05/425184805.db2.gz NOEQTECKLPWXJX-LSDHHAIUSA-N 1 3 310.486 2.033 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000660634254 425184811 /nfs/dbraw/zinc/18/48/11/425184811.db2.gz NOEQTECKLPWXJX-LSDHHAIUSA-N 1 3 310.486 2.033 20 0 DEADHO CCN(C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1)[C@H]1CCN(CC)C1 ZINC000663629249 425201048 /nfs/dbraw/zinc/20/10/48/425201048.db2.gz RAYLBMOKXMJQKW-ULQDDVLXSA-N 1 3 324.513 2.233 20 0 DEADHO CCN(C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1)[C@H]1CCN(CC)C1 ZINC000663629249 425201052 /nfs/dbraw/zinc/20/10/52/425201052.db2.gz RAYLBMOKXMJQKW-ULQDDVLXSA-N 1 3 324.513 2.233 20 0 DEADHO CCN(C(=O)NCCC[N@H+](C)C1CCCCC1)[C@H]1CCN(C)C1 ZINC000663635037 425201918 /nfs/dbraw/zinc/20/19/18/425201918.db2.gz ZGDORNRTATVUKE-KRWDZBQOSA-N 1 3 324.513 2.377 20 0 DEADHO CCN(C(=O)NCCC[N@@H+](C)C1CCCCC1)[C@H]1CCN(C)C1 ZINC000663635037 425201922 /nfs/dbraw/zinc/20/19/22/425201922.db2.gz ZGDORNRTATVUKE-KRWDZBQOSA-N 1 3 324.513 2.377 20 0 DEADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc2cnccc2o1 ZINC000651808476 425148189 /nfs/dbraw/zinc/14/81/89/425148189.db2.gz SIWXPUZZOOXIDT-UHFFFAOYSA-N 1 3 316.449 2.286 20 0 DEADHO CC[C@H](NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC)C1CC1 ZINC000666685387 425160973 /nfs/dbraw/zinc/16/09/73/425160973.db2.gz FBTKYIITKCDFKI-SJORKVTESA-N 1 3 324.513 2.233 20 0 DEADHO CC[C@H](NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC)C1CC1 ZINC000666685387 425160977 /nfs/dbraw/zinc/16/09/77/425160977.db2.gz FBTKYIITKCDFKI-SJORKVTESA-N 1 3 324.513 2.233 20 0 DEADHO Cc1ccc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(C)n1 ZINC000652349707 425244195 /nfs/dbraw/zinc/24/41/95/425244195.db2.gz ZTXFAIOCVXGDKT-OKZBNKHCSA-N 1 3 303.450 2.417 20 0 DEADHO O=C(NCCCCC[NH+]1CCCC1)N[C@H]1CCN(CC2CC2)C1 ZINC000652367703 425251743 /nfs/dbraw/zinc/25/17/43/425251743.db2.gz LOWGFARVCLAJTL-KRWDZBQOSA-N 1 3 322.497 2.036 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccnn2CC2CC2)C[C@H](C)O1 ZINC000657367597 425317352 /nfs/dbraw/zinc/31/73/52/425317352.db2.gz QGIJEXGSZUDKEV-IYBDPMFKSA-N 1 3 320.481 2.272 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cnn3c2CCC3)[C@H](C)C1 ZINC000657364093 425318255 /nfs/dbraw/zinc/31/82/55/425318255.db2.gz SLMYJULLADXCRC-NVXWUHKLSA-N 1 3 320.481 2.056 20 0 DEADHO CC[C@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)CO1 ZINC000657389350 425322279 /nfs/dbraw/zinc/32/22/79/425322279.db2.gz KLICUESPKSUJGF-MJGOQNOKSA-N 1 3 318.461 2.300 20 0 DEADHO C[C@@H](CN(C)CCC[NH+](C)C)Nc1ccnc2ccsc21 ZINC000664194079 425328661 /nfs/dbraw/zinc/32/86/61/425328661.db2.gz AFTICDIUOVTQMB-ZDUSSCGKSA-N 1 3 306.479 2.402 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1ccnc2ccsc21 ZINC000664194079 425328662 /nfs/dbraw/zinc/32/86/62/425328662.db2.gz AFTICDIUOVTQMB-ZDUSSCGKSA-N 1 3 306.479 2.402 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1ccnc2ccsc21 ZINC000664194079 425328666 /nfs/dbraw/zinc/32/86/66/425328666.db2.gz AFTICDIUOVTQMB-ZDUSSCGKSA-N 1 3 306.479 2.402 20 0 DEADHO CC(C)Cc1nsc(N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000664197058 425329388 /nfs/dbraw/zinc/32/93/88/425329388.db2.gz YLFLEYDSBQYFOE-ZDUSSCGKSA-N 1 3 313.515 2.421 20 0 DEADHO CC(C)Cc1nsc(N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000664197058 425329393 /nfs/dbraw/zinc/32/93/93/425329393.db2.gz YLFLEYDSBQYFOE-ZDUSSCGKSA-N 1 3 313.515 2.421 20 0 DEADHO C[C@@H]1CCC[N@H+](CCNC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000654374191 425335838 /nfs/dbraw/zinc/33/58/38/425335838.db2.gz LRSFPARGFQWEJV-ZACQAIPSSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000654374191 425335841 /nfs/dbraw/zinc/33/58/41/425335841.db2.gz LRSFPARGFQWEJV-ZACQAIPSSA-N 1 3 322.497 2.034 20 0 DEADHO CCN(C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)[C@H]1CCN(CC)C1 ZINC000664003892 425285430 /nfs/dbraw/zinc/28/54/30/425285430.db2.gz UUCSTIIRSJDZEW-IRXDYDNUSA-N 1 3 324.513 2.233 20 0 DEADHO CCN(C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)[C@H]1CCN(CC)C1 ZINC000664003892 425285434 /nfs/dbraw/zinc/28/54/34/425285434.db2.gz UUCSTIIRSJDZEW-IRXDYDNUSA-N 1 3 324.513 2.233 20 0 DEADHO Cn1ncc(C(F)(F)F)c1CNC1CCC([NH+](C)C)CC1 ZINC000657494100 425349359 /nfs/dbraw/zinc/34/93/59/425349359.db2.gz MEKXIJXRLXFHBW-UHFFFAOYSA-N 1 3 304.360 2.401 20 0 DEADHO Cc1ccc2ncnc(NCC[N@@H+](C)CCCN(C)C)c2c1 ZINC000664246849 425344686 /nfs/dbraw/zinc/34/46/86/425344686.db2.gz AXGIUAZHVKIBPA-UHFFFAOYSA-N 1 3 301.438 2.234 20 0 DEADHO Cc1ccc2ncnc(NCC[N@H+](C)CCCN(C)C)c2c1 ZINC000664246849 425344690 /nfs/dbraw/zinc/34/46/90/425344690.db2.gz AXGIUAZHVKIBPA-UHFFFAOYSA-N 1 3 301.438 2.234 20 0 DEADHO CN(C)CCC[N@H+](C)CCNc1cnc(-c2ccccc2)cn1 ZINC000664246253 425345094 /nfs/dbraw/zinc/34/50/94/425345094.db2.gz WMFVMVRRWSYKMH-UHFFFAOYSA-N 1 3 313.449 2.439 20 0 DEADHO CN(C)CCC[N@@H+](C)CCNc1cnc(-c2ccccc2)cn1 ZINC000664246253 425345099 /nfs/dbraw/zinc/34/50/99/425345099.db2.gz WMFVMVRRWSYKMH-UHFFFAOYSA-N 1 3 313.449 2.439 20 0 DEADHO CCCC[N@H+](C)CCNC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654440610 425353620 /nfs/dbraw/zinc/35/36/20/425353620.db2.gz OTNAEWMFXRZSAE-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO CCCC[N@@H+](C)CCNC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654440610 425353622 /nfs/dbraw/zinc/35/36/22/425353622.db2.gz OTNAEWMFXRZSAE-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)NCCCCC[NH+]1CCCC1 ZINC000661242102 425359845 /nfs/dbraw/zinc/35/98/45/425359845.db2.gz KQLHXYMYIKRZIH-MRXNPFEDSA-N 1 3 324.513 2.425 20 0 DEADHO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@H]2CCN3CCC[C@@H]3C2)cn1 ZINC000657691512 425387306 /nfs/dbraw/zinc/38/73/06/425387306.db2.gz STCMUCITUZCVDU-FJIDUMEYSA-N 1 3 302.466 2.348 20 0 DEADHO Cn1cc(C[C@@H]2CCC[C@@H]2N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000657691512 425387310 /nfs/dbraw/zinc/38/73/10/425387310.db2.gz STCMUCITUZCVDU-FJIDUMEYSA-N 1 3 302.466 2.348 20 0 DEADHO Cn1cc(C[C@@H]2CCC[C@@H]2N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000657691512 425387314 /nfs/dbraw/zinc/38/73/14/425387314.db2.gz STCMUCITUZCVDU-FJIDUMEYSA-N 1 3 302.466 2.348 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000653112310 425407314 /nfs/dbraw/zinc/40/73/14/425407314.db2.gz UYIWHWJBIJZQTJ-DLBZAZTESA-N 1 3 303.450 2.104 20 0 DEADHO C[C@H](CCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)[NH+](C)C ZINC000664541687 425407787 /nfs/dbraw/zinc/40/77/87/425407787.db2.gz RPAGFXJSPRUGPF-DJIMGWMZSA-N 1 3 318.465 2.071 20 0 DEADHO CN(C)CCOc1ccc(CC[NH2+][C@H]2COC3(CCC3)C2)cc1 ZINC000657874649 425413117 /nfs/dbraw/zinc/41/31/17/425413117.db2.gz WWAWLGMZRVIKJB-QGZVFWFLSA-N 1 3 318.461 2.471 20 0 DEADHO CN(C)Cc1ccc(C(=O)NCC[N@@H+]2CCCC2(C)C)cc1 ZINC000654535531 425375528 /nfs/dbraw/zinc/37/55/28/425375528.db2.gz IWGNBDASRXLBPB-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO CN(C)Cc1ccc(C(=O)NCC[N@H+]2CCCC2(C)C)cc1 ZINC000654535531 425375532 /nfs/dbraw/zinc/37/55/32/425375532.db2.gz IWGNBDASRXLBPB-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654569601 425384994 /nfs/dbraw/zinc/38/49/94/425384994.db2.gz KXQHBQNHMQDDAP-IXDOHACOSA-N 1 3 324.513 2.423 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654569601 425384997 /nfs/dbraw/zinc/38/49/97/425384997.db2.gz KXQHBQNHMQDDAP-IXDOHACOSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC[N@@H+]1C ZINC000654729893 425426579 /nfs/dbraw/zinc/42/65/79/425426579.db2.gz XPVGESOJKCSQNL-NCOADZHNSA-N 1 3 322.497 2.127 20 0 DEADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC[N@H+]1C ZINC000654729893 425426583 /nfs/dbraw/zinc/42/65/83/425426583.db2.gz XPVGESOJKCSQNL-NCOADZHNSA-N 1 3 322.497 2.127 20 0 DEADHO CCC[N@H+](C)CC(C)(C)NC(=O)c1cccc2c1CCNC2 ZINC000664719728 425442368 /nfs/dbraw/zinc/44/23/68/425442368.db2.gz WTGBUPCAMXNLDI-UHFFFAOYSA-N 1 3 303.450 2.183 20 0 DEADHO CCC[N@@H+](C)CC(C)(C)NC(=O)c1cccc2c1CCNC2 ZINC000664719728 425442371 /nfs/dbraw/zinc/44/23/71/425442371.db2.gz WTGBUPCAMXNLDI-UHFFFAOYSA-N 1 3 303.450 2.183 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000664888046 425473926 /nfs/dbraw/zinc/47/39/26/425473926.db2.gz DUYJUKAFVUGFIN-LSDHHAIUSA-N 1 3 310.486 2.033 20 0 DEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000664888046 425473930 /nfs/dbraw/zinc/47/39/30/425473930.db2.gz DUYJUKAFVUGFIN-LSDHHAIUSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254600 425529170 /nfs/dbraw/zinc/52/91/70/425529170.db2.gz UTIPSLTWPOQCOY-XEKGUZQTSA-N 1 3 317.452 2.344 20 0 DEADHO C[C@@H]1C[C@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CN1C1CC1 ZINC000665257425 425530684 /nfs/dbraw/zinc/53/06/84/425530684.db2.gz IVVZMHDDDMONCQ-ZFKCKOODSA-N 1 3 317.452 2.486 20 0 DEADHO CO[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000665283808 425536121 /nfs/dbraw/zinc/53/61/21/425536121.db2.gz VMHUECMQCZYMHI-XMTFNYHQSA-N 1 3 310.482 2.328 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H](C3CCC3)C2)CC1 ZINC000662042873 425552545 /nfs/dbraw/zinc/55/25/45/425552545.db2.gz GBLTXUUURJWDNJ-QGZVFWFLSA-N 1 3 321.509 2.488 20 0 DEADHO C[NH+]1CCC2(CCCN2C(=O)NC[C@@H]2CCN2C(C)(C)C)CC1 ZINC000665363301 425554294 /nfs/dbraw/zinc/55/42/94/425554294.db2.gz WYSICMTZVLQJSK-HNNXBMFYSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)N(C)Cc1ccccc1 ZINC000655447888 425568633 /nfs/dbraw/zinc/56/86/33/425568633.db2.gz IONPQHWBSQLZHT-HHXXYDBFSA-N 1 3 315.461 2.013 20 0 DEADHO NC[C@H](NC(=O)[C@H]1C[C@@]12CCC[NH2+]C2)c1ccc2ccccc2c1 ZINC000655457872 425572399 /nfs/dbraw/zinc/57/23/99/425572399.db2.gz GLQQUJAYMHQMPW-WSTZPKSXSA-N 1 3 323.440 2.346 20 0 DEADHO CC[C@H]1CCCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665637079 425610730 /nfs/dbraw/zinc/61/07/30/425610730.db2.gz SMROKEBKGHCUJR-HOTGVXAUSA-N 1 3 312.502 2.233 20 0 DEADHO CC[C@H]1CCCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665637079 425610733 /nfs/dbraw/zinc/61/07/33/425610733.db2.gz SMROKEBKGHCUJR-HOTGVXAUSA-N 1 3 312.502 2.233 20 0 DEADHO O[C@@H]1CCN(C2CC[NH+](CCCc3cccc(F)c3)CC2)C1 ZINC000662153736 425576533 /nfs/dbraw/zinc/57/65/33/425576533.db2.gz UCMUIHDKPMREAF-GOSISDBHSA-N 1 3 306.425 2.289 20 0 DEADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000665553925 425596795 /nfs/dbraw/zinc/59/67/95/425596795.db2.gz BZSCXQIZJQKGHV-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO COc1ccccc1C[C@@H](C)[N@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662257832 425603902 /nfs/dbraw/zinc/60/39/02/425603902.db2.gz QRAVRSSRDXCFPZ-ZBFHGGJFSA-N 1 3 304.434 2.079 20 0 DEADHO COc1ccccc1C[C@@H](C)[N@@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662257832 425603907 /nfs/dbraw/zinc/60/39/07/425603907.db2.gz QRAVRSSRDXCFPZ-ZBFHGGJFSA-N 1 3 304.434 2.079 20 0 DEADHO O[C@@H]([C@@H]1CCCN1Cc1cccc2c1CC[NH2+]C2)C(F)(F)F ZINC000662258982 425603917 /nfs/dbraw/zinc/60/39/17/425603917.db2.gz ZRQZWHLITWAWCU-GJZGRUSLSA-N 1 3 314.351 2.220 20 0 DEADHO COc1ccccc1[C@H]1CCCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258947 425604319 /nfs/dbraw/zinc/60/43/19/425604319.db2.gz YWCXQZPWENYJOB-GOEBONIOSA-N 1 3 302.418 2.353 20 0 DEADHO COc1ccccc1C[C@H](C)[N@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662257831 425604915 /nfs/dbraw/zinc/60/49/15/425604915.db2.gz QRAVRSSRDXCFPZ-HOCLYGCPSA-N 1 3 304.434 2.079 20 0 DEADHO COc1ccccc1C[C@H](C)[N@@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662257831 425604919 /nfs/dbraw/zinc/60/49/19/425604919.db2.gz QRAVRSSRDXCFPZ-HOCLYGCPSA-N 1 3 304.434 2.079 20 0 DEADHO c1ccc(C[C@H]2CCC[N@@H+](C[C@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662255733 425605069 /nfs/dbraw/zinc/60/50/69/425605069.db2.gz CVINKNPDAAUNOP-QZTJIDSGSA-N 1 3 300.446 2.462 20 0 DEADHO c1ccc(C[C@H]2CCC[N@H+](C[C@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662255733 425605072 /nfs/dbraw/zinc/60/50/72/425605072.db2.gz CVINKNPDAAUNOP-QZTJIDSGSA-N 1 3 300.446 2.462 20 0 DEADHO C[C@@H](NC(C)(C)CNC(=O)N(C)CC(C)(C)[NH3+])c1ccccc1 ZINC000659455176 425608059 /nfs/dbraw/zinc/60/80/59/425608059.db2.gz USTPAIWYGMTPQK-CQSZACIVSA-N 1 3 320.481 2.495 20 0 DEADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cccc2c1CNC2 ZINC000662405267 425643309 /nfs/dbraw/zinc/64/33/09/425643309.db2.gz XEUWYRDIPQIPOZ-UONOGXRCSA-N 1 3 301.434 2.140 20 0 DEADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cccc2c1CNC2 ZINC000662405267 425643310 /nfs/dbraw/zinc/64/33/10/425643310.db2.gz XEUWYRDIPQIPOZ-UONOGXRCSA-N 1 3 301.434 2.140 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)[C@H]2[NH2+]CCC2(C)C)cc1 ZINC000662410475 425645259 /nfs/dbraw/zinc/64/52/59/425645259.db2.gz KMGPODSAPMSKCF-JKSUJKDBSA-N 1 3 303.450 2.314 20 0 DEADHO C[C@H](CNC(=O)c1cccc2c1CNC2)[NH+]1CCC(C)CC1 ZINC000662418644 425646553 /nfs/dbraw/zinc/64/65/53/425646553.db2.gz WQOMGFOTPXDPMH-CQSZACIVSA-N 1 3 301.434 2.140 20 0 DEADHO c1ncn2cc(C[NH2+]C3CCN(C[C@H]4CCCO4)CC3)ccc12 ZINC000655774743 425651425 /nfs/dbraw/zinc/65/14/25/425651425.db2.gz FXOXQSBYZUZBJS-GOSISDBHSA-N 1 3 314.433 2.067 20 0 DEADHO c1ncn2cc(CNC3CC[NH+](C[C@H]4CCCO4)CC3)ccc12 ZINC000655774743 425651427 /nfs/dbraw/zinc/65/14/27/425651427.db2.gz FXOXQSBYZUZBJS-GOSISDBHSA-N 1 3 314.433 2.067 20 0 DEADHO C[C@H](CNC1CC[NH+](C(C)(C)C)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655803558 425660131 /nfs/dbraw/zinc/66/01/31/425660131.db2.gz STNDBMVXGHFBHG-OAGGEKHMSA-N 1 3 311.514 2.337 20 0 DEADHO C[C@H](C[NH2+]C1CCN(C(C)(C)C)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655803558 425660135 /nfs/dbraw/zinc/66/01/35/425660135.db2.gz STNDBMVXGHFBHG-OAGGEKHMSA-N 1 3 311.514 2.337 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662475258 425661107 /nfs/dbraw/zinc/66/11/07/425661107.db2.gz CCBVPFKYLUTJKG-GOSISDBHSA-N 1 3 315.461 2.459 20 0 DEADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(s1)CCNC2 ZINC000662492772 425665045 /nfs/dbraw/zinc/66/50/45/425665045.db2.gz QPHJCRLKTDXSCK-KGLIPLIRSA-N 1 3 319.474 2.093 20 0 DEADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(s1)CCNC2 ZINC000662492772 425665047 /nfs/dbraw/zinc/66/50/47/425665047.db2.gz QPHJCRLKTDXSCK-KGLIPLIRSA-N 1 3 319.474 2.093 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662492772 425665049 /nfs/dbraw/zinc/66/50/49/425665049.db2.gz QPHJCRLKTDXSCK-KGLIPLIRSA-N 1 3 319.474 2.093 20 0 DEADHO CC[C@@H]([NH2+]C)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000662526060 425674937 /nfs/dbraw/zinc/67/49/37/425674937.db2.gz PKYMLJIADXTFNQ-SJORKVTESA-N 1 3 303.450 2.328 20 0 DEADHO CCCCCNC(=O)[C@H](C)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290780 425614237 /nfs/dbraw/zinc/61/42/37/425614237.db2.gz KKQYYOZBFBYRDA-DOTOQJQBSA-N 1 3 309.498 2.393 20 0 DEADHO CCC[C@H](C)NC(=O)[C@H](C)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290240 425614561 /nfs/dbraw/zinc/61/45/61/425614561.db2.gz BLJVVYPIMGWXEA-YQQAZPJKSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H](C(=O)N1CCCCC1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662292486 425615467 /nfs/dbraw/zinc/61/54/67/425615467.db2.gz NFZJBNWBNJYQBS-NVXWUHKLSA-N 1 3 307.482 2.099 20 0 DEADHO CC[C@@H](C)N[C@H](CNC(=O)NCC1([NH3+])CCCC1)c1ccco1 ZINC000659492135 425615611 /nfs/dbraw/zinc/61/56/11/425615611.db2.gz KBKAWPKEGKPAPE-ZIAGYGMSSA-N 1 3 322.453 2.280 20 0 DEADHO C[C@H](C(=O)N1CCCCCC1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295242 425616642 /nfs/dbraw/zinc/61/66/42/425616642.db2.gz GGKLXEDMORMHDH-AEFFLSMTSA-N 1 3 321.509 2.489 20 0 DEADHO CC1(C)C[N@H+](C[C@@H]2CCC3(CNC3)O2)CCc2ccccc21 ZINC000662298274 425618198 /nfs/dbraw/zinc/61/81/98/425618198.db2.gz AYPOIQOYQNROEE-INIZCTEOSA-N 1 3 300.446 2.343 20 0 DEADHO CC1(C)C[N@@H+](C[C@@H]2CCC3(CNC3)O2)CCc2ccccc21 ZINC000662298274 425618201 /nfs/dbraw/zinc/61/82/01/425618201.db2.gz AYPOIQOYQNROEE-INIZCTEOSA-N 1 3 300.446 2.343 20 0 DEADHO COc1ccc([C@H](CN)C[N@@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000662314178 425621240 /nfs/dbraw/zinc/62/12/40/425621240.db2.gz AYLOOVPAUVFAAT-AEFFLSMTSA-N 1 3 304.434 2.240 20 0 DEADHO COc1ccc([C@H](CN)C[N@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000662314178 425621242 /nfs/dbraw/zinc/62/12/42/425621242.db2.gz AYLOOVPAUVFAAT-AEFFLSMTSA-N 1 3 304.434 2.240 20 0 DEADHO C[C@H](CNC(=O)c1cccc2c1CNC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000662387315 425638771 /nfs/dbraw/zinc/63/87/71/425638771.db2.gz KJHOQUNQDKSWGD-ZIAGYGMSSA-N 1 3 301.434 2.140 20 0 DEADHO C[C@H](CNC(=O)c1cccc2c1CNC2)[N@H+]1CCC[C@@H](C)C1 ZINC000662387315 425638776 /nfs/dbraw/zinc/63/87/76/425638776.db2.gz KJHOQUNQDKSWGD-ZIAGYGMSSA-N 1 3 301.434 2.140 20 0 DEADHO C[C@H](CNC(=O)c1cc2c(s1)CCNC2)[N@@H+]1CCC[C@H](C)C1 ZINC000662386730 425639235 /nfs/dbraw/zinc/63/92/35/425639235.db2.gz FWRKSXJKSIZOHG-QWHCGFSZSA-N 1 3 321.490 2.244 20 0 DEADHO C[C@H](CNC(=O)c1cc2c(s1)CCNC2)[N@H+]1CCC[C@H](C)C1 ZINC000662386730 425639238 /nfs/dbraw/zinc/63/92/38/425639238.db2.gz FWRKSXJKSIZOHG-QWHCGFSZSA-N 1 3 321.490 2.244 20 0 DEADHO CCN(CC(C)(C)C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665762473 425639865 /nfs/dbraw/zinc/63/98/65/425639865.db2.gz FRGBYWPGMCOJSK-HNNXBMFYSA-N 1 3 314.518 2.336 20 0 DEADHO CCN(CC(C)(C)C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665762473 425639868 /nfs/dbraw/zinc/63/98/68/425639868.db2.gz FRGBYWPGMCOJSK-HNNXBMFYSA-N 1 3 314.518 2.336 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000665764105 425642438 /nfs/dbraw/zinc/64/24/38/425642438.db2.gz UZUUTCBIWJKMKV-ULQDDVLXSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000665764105 425642440 /nfs/dbraw/zinc/64/24/40/425642440.db2.gz UZUUTCBIWJKMKV-ULQDDVLXSA-N 1 3 324.513 2.233 20 0 DEADHO O=C(Nc1ccc2c(c1)CNCCO2)c1cccc2c1CC[NH2+]C2 ZINC000662778517 425733956 /nfs/dbraw/zinc/73/39/56/425733956.db2.gz FDGFBLZKQAKOCX-UHFFFAOYSA-N 1 3 323.396 2.067 20 0 DEADHO [NH3+]C[C@H](NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12)C1CCCCC1 ZINC000655964422 425696051 /nfs/dbraw/zinc/69/60/51/425696051.db2.gz SXYPHCUEHYUOSC-IKGGRYGDSA-N 1 3 322.497 2.210 20 0 DEADHO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000662837266 425744207 /nfs/dbraw/zinc/74/42/07/425744207.db2.gz HUDZVVAAFJXGSC-YLFCFFPRSA-N 1 3 307.482 2.417 20 0 DEADHO CC(C)C[C@H](N)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000662658858 425704573 /nfs/dbraw/zinc/70/45/73/425704573.db2.gz KNMFJLZPFPNBRW-ROUUACIJSA-N 1 3 317.477 2.135 20 0 DEADHO CC(C)C[C@H](N)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000662658858 425704578 /nfs/dbraw/zinc/70/45/78/425704578.db2.gz KNMFJLZPFPNBRW-ROUUACIJSA-N 1 3 317.477 2.135 20 0 DEADHO CCC[NH2+][C@@H](C)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000662658154 425704945 /nfs/dbraw/zinc/70/49/45/425704945.db2.gz BTQALDQCAXAQAW-WMZOPIPTSA-N 1 3 317.477 2.150 20 0 DEADHO CC(C)C[C@@H](CNC(=O)C[C@H]1NCc2ccccc21)[NH+](C)C ZINC000662674105 425709038 /nfs/dbraw/zinc/70/90/38/425709038.db2.gz VJTMCGGCZOBMPX-DOTOQJQBSA-N 1 3 303.450 2.314 20 0 DEADHO CC[NH+](CC)CC1CCN(C(=O)C2(N)CC3(CCC3)C2)CC1 ZINC000662683669 425711645 /nfs/dbraw/zinc/71/16/45/425711645.db2.gz PGMDMXRSKLRJHL-UHFFFAOYSA-N 1 3 307.482 2.228 20 0 DEADHO CN1CCC[C@H](CNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)C1 ZINC000662699900 425715841 /nfs/dbraw/zinc/71/58/41/425715841.db2.gz DDMBPBACHKHUKB-RHSMWYFYSA-N 1 3 315.461 2.137 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000662698917 425715988 /nfs/dbraw/zinc/71/59/88/425715988.db2.gz UYLIVVPQCCBGLC-WMZOPIPTSA-N 1 3 313.445 2.308 20 0 DEADHO CC[C@@H](N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662712013 425719461 /nfs/dbraw/zinc/71/94/61/425719461.db2.gz QIJWFXZOSIDFOW-IAGOWNOFSA-N 1 3 315.461 2.142 20 0 DEADHO CC[C@@H](N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000662712013 425719465 /nfs/dbraw/zinc/71/94/65/425719465.db2.gz QIJWFXZOSIDFOW-IAGOWNOFSA-N 1 3 315.461 2.142 20 0 DEADHO C[NH+](C)CC[C@H](NC(=O)c1cccc2c1CNC2)C(C)(C)C ZINC000662733133 425724968 /nfs/dbraw/zinc/72/49/68/425724968.db2.gz HUWHLUOWEXVWRA-INIZCTEOSA-N 1 3 303.450 2.386 20 0 DEADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cccc2c1CCNC2 ZINC000662745759 425728503 /nfs/dbraw/zinc/72/85/03/425728503.db2.gz OPDOAIWIJGFZLF-INIZCTEOSA-N 1 3 315.461 2.279 20 0 DEADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cccc2c1CCNC2 ZINC000662745759 425728506 /nfs/dbraw/zinc/72/85/06/425728506.db2.gz OPDOAIWIJGFZLF-INIZCTEOSA-N 1 3 315.461 2.279 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c(s2)CCNC3)[C@@H](C)C1 ZINC000662747079 425728824 /nfs/dbraw/zinc/72/88/24/425728824.db2.gz WVXDXXAOJZUZNT-JSGCOSHPSA-N 1 3 321.490 2.196 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc3c(s2)CCNC3)[C@@H](C)C1 ZINC000662747079 425728827 /nfs/dbraw/zinc/72/88/27/425728827.db2.gz WVXDXXAOJZUZNT-JSGCOSHPSA-N 1 3 321.490 2.196 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](NCCOc2ncccc2C(F)(F)F)C1 ZINC000656198442 425730418 /nfs/dbraw/zinc/73/04/18/425730418.db2.gz XPGUUPCPESXJRW-GHMZBOCLSA-N 1 3 303.328 2.339 20 0 DEADHO CC(C)(C)N1CC[C@H]1CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000660282305 425782689 /nfs/dbraw/zinc/78/26/89/425782689.db2.gz UIMIRKVIMMIWKP-AWEZNQCLSA-N 1 3 324.513 2.468 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000660403232 425808090 /nfs/dbraw/zinc/80/80/90/425808090.db2.gz BBUAIDOCPCFAIE-IRXDYDNUSA-N 1 3 324.513 2.282 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000660403232 425808093 /nfs/dbraw/zinc/80/80/93/425808093.db2.gz BBUAIDOCPCFAIE-IRXDYDNUSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@H](C[NH2+]CC1(N2CCOCC2)CCN(C)CC1)C(C)(C)C ZINC000666407218 425747705 /nfs/dbraw/zinc/74/77/05/425747705.db2.gz WMQIIPGVVNRHQH-MRXNPFEDSA-N 1 3 311.514 2.055 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(C[NH3+])cc1 ZINC000394335755 269100482 /nfs/dbraw/zinc/10/04/82/269100482.db2.gz ZXKSOGFAWSZSNQ-CVEARBPZSA-N 1 3 302.422 2.236 20 0 DEADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](C)NC2CC2)cc1 ZINC000394847447 269101096 /nfs/dbraw/zinc/10/10/96/269101096.db2.gz AJWHFGQHBUKUNL-CQSZACIVSA-N 1 3 303.450 2.285 20 0 DEADHO C[C@H](C[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)CN(C)C ZINC000496004750 269192225 /nfs/dbraw/zinc/19/22/25/269192225.db2.gz LNLSBWTZEWXUJJ-RDBSUJKOSA-N 1 3 301.475 2.466 20 0 DEADHO NC(=O)OC[C@H](Cc1ccccc1)[NH2+][C@H]1CCCCC[C@@H]1N ZINC000496094247 269199706 /nfs/dbraw/zinc/19/97/06/269199706.db2.gz WITZUPLEGNMYPL-JYJNAYRXSA-N 1 3 305.422 2.357 20 0 DEADHO C[C@H](CN)C[NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496148698 269202941 /nfs/dbraw/zinc/20/29/41/269202941.db2.gz UFZCGADDCRWHLO-OAHLLOKOSA-N 1 3 319.449 2.220 20 0 DEADHO C[NH2+]Cc1ccc(NC(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000514720285 269329240 /nfs/dbraw/zinc/32/92/40/269329240.db2.gz WHRZYQGRYWJJSX-MRXNPFEDSA-N 1 3 302.422 2.108 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000517739154 269391270 /nfs/dbraw/zinc/39/12/70/269391270.db2.gz LKXFVKVHPUOAEW-CVEARBPZSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]([NH2+]C1CC1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000294763023 274244075 /nfs/dbraw/zinc/24/40/75/274244075.db2.gz LVARDVGBCKTAGT-PBHICJAKSA-N 1 3 301.434 2.080 20 0 DEADHO CC(C)C[C@H](C[NH3+])NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000418424737 275913175 /nfs/dbraw/zinc/91/31/75/275913175.db2.gz IBJVKAZFJKPJQU-OAHLLOKOSA-N 1 3 310.486 2.020 20 0 DEADHO CCN1CC[C@@H]([NH2+]Cc2cccc(C(=O)N(C)C)c2)[C@@H](C)C1 ZINC000347215526 276217118 /nfs/dbraw/zinc/21/71/18/276217118.db2.gz YGPSAMHDMDOSNI-WMLDXEAASA-N 1 3 303.450 2.208 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423718286 276772276 /nfs/dbraw/zinc/77/22/76/276772276.db2.gz LDCHQRYKEFUAPG-HZPDHXFCSA-N 1 3 315.461 2.210 20 0 DEADHO CO[C@@]1(C)CCC[N@H+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000375965705 277319199 /nfs/dbraw/zinc/31/91/99/277319199.db2.gz YVRFSFNBLLFRGU-SFHVURJKSA-N 1 3 311.514 2.294 20 0 DEADHO CO[C@@]1(C)CCC[N@@H+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000375965705 277319200 /nfs/dbraw/zinc/31/92/00/277319200.db2.gz YVRFSFNBLLFRGU-SFHVURJKSA-N 1 3 311.514 2.294 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(C)CC[C@@H]2C)C1 ZINC000448468681 277390972 /nfs/dbraw/zinc/39/09/72/277390972.db2.gz VYWOLRKKJXVOKN-IRXDYDNUSA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCN(C)CC[C@@H]2C)C1 ZINC000448468681 277390973 /nfs/dbraw/zinc/39/09/73/277390973.db2.gz VYWOLRKKJXVOKN-IRXDYDNUSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@]1(C(N)=O)CC[N@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411664791 278120862 /nfs/dbraw/zinc/12/08/62/278120862.db2.gz RPXGDLQHOJDPQB-LJQANCHMSA-N 1 3 315.461 2.370 20 0 DEADHO C[C@@]1(C(N)=O)CC[N@@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411664791 278120865 /nfs/dbraw/zinc/12/08/65/278120865.db2.gz RPXGDLQHOJDPQB-LJQANCHMSA-N 1 3 315.461 2.370 20 0 DEADHO C[C@H](CNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)N(C)C1CC1 ZINC000417549185 278198749 /nfs/dbraw/zinc/19/87/49/278198749.db2.gz JGUTZSYOFMCBFP-HLLBOEOZSA-N 1 3 322.497 2.033 20 0 DEADHO CC1CCC(N2CCN(C(=O)[C@@H]3CC34CC[NH2+]CC4)CC2)CC1 ZINC000236711227 278522124 /nfs/dbraw/zinc/52/21/24/278522124.db2.gz BYFRPKDQFGGNKI-JCYILVPMSA-N 1 3 319.493 2.099 20 0 DEADHO CC(C)C[C@@H](CN(C)C)NC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449332301 278973688 /nfs/dbraw/zinc/97/36/88/278973688.db2.gz QWIHJISNELTWLQ-HKUYNNGSSA-N 1 3 317.477 2.010 20 0 DEADHO C[C@H](C(=O)N1CCCCCC1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420335874 279191088 /nfs/dbraw/zinc/19/10/88/279191088.db2.gz HZCAAYOOJKMDJP-IXDOHACOSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCCN1CCCC(C)(C)C1 ZINC000360126294 279379930 /nfs/dbraw/zinc/37/99/30/279379930.db2.gz SLJBGSGGHJCFLC-HNNXBMFYSA-N 1 3 312.502 2.136 20 0 DEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCCN1CCCC(C)(C)C1 ZINC000360126294 279379932 /nfs/dbraw/zinc/37/99/32/279379932.db2.gz SLJBGSGGHJCFLC-HNNXBMFYSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@H]([NH3+])CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000417851396 279397432 /nfs/dbraw/zinc/39/74/32/279397432.db2.gz YMIOJUBDYXMHSD-YQQAZPJKSA-N 1 3 318.465 2.076 20 0 DEADHO O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@H]1CCCCN1 ZINC000366335827 279827282 /nfs/dbraw/zinc/82/72/82/279827282.db2.gz XCXCFHDOQLLSPQ-QGZVFWFLSA-N 1 3 307.482 2.289 20 0 DEADHO C[C@H]1C[C@@H](C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC[NH2+]1 ZINC000262447484 279942754 /nfs/dbraw/zinc/94/27/54/279942754.db2.gz UIMQJMTUVQLREE-SZMVWBNQSA-N 1 3 315.461 2.328 20 0 DEADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000417317950 280279726 /nfs/dbraw/zinc/27/97/26/280279726.db2.gz XSGDWYHGSMIQHF-JKSUJKDBSA-N 1 3 312.502 2.122 20 0 DEADHO CC[C@](CNC[C@H]1CCC[NH2+]C1)(C(=O)OC)c1ccccc1 ZINC000415138915 288413495 /nfs/dbraw/zinc/41/34/95/288413495.db2.gz KUVPSHLESHOWGW-MAUKXSAKSA-N 1 3 304.434 2.097 20 0 DEADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC000376561486 289043786 /nfs/dbraw/zinc/04/37/86/289043786.db2.gz IPFAKRWLKJQYGS-CRAIPNDOSA-N 1 3 315.461 2.447 20 0 DEADHO CN(C)C[C@@H](NC(=O)NCC1([NH3+])CCC1)c1ccc(Cl)cc1 ZINC000418506653 289187602 /nfs/dbraw/zinc/18/76/02/289187602.db2.gz GVNCURAZZIOOOZ-CQSZACIVSA-N 1 3 324.856 2.123 20 0 DEADHO CN(C)C[C@H](NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000262501160 289207508 /nfs/dbraw/zinc/20/75/08/289207508.db2.gz MAJPEQOWAGSIRM-ULQDDVLXSA-N 1 3 303.450 2.313 20 0 DEADHO C[C@H](C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)N1CCCCCC1 ZINC000424037002 289262409 /nfs/dbraw/zinc/26/24/09/289262409.db2.gz FYAYUHPYBXPEPD-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO C[NH+](C)[C@H](CNC(=O)[C@@H](CN)c1ccccc1)C1CCCCC1 ZINC000237193395 289359126 /nfs/dbraw/zinc/35/91/26/289359126.db2.gz NLIYIBCAYVABEE-ZWKOTPCHSA-N 1 3 317.477 2.356 20 0 DEADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000351627305 289407078 /nfs/dbraw/zinc/40/70/78/289407078.db2.gz GDRHKZQUGYPTGQ-JKSUJKDBSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H](C[NH+](C)C)NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000350486567 289518142 /nfs/dbraw/zinc/51/81/42/289518142.db2.gz RAVONMILIANNPI-NVXWUHKLSA-N 1 3 318.465 2.073 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2cccs2)C1 ZINC000414674267 295216628 /nfs/dbraw/zinc/21/66/28/295216628.db2.gz DLCZXKJZIAAANW-ZIAGYGMSSA-N 1 3 307.463 2.082 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]2c2cccs2)C1 ZINC000414674267 295216629 /nfs/dbraw/zinc/21/66/29/295216629.db2.gz DLCZXKJZIAAANW-ZIAGYGMSSA-N 1 3 307.463 2.082 20 0 DEADHO N[C@H]1Cc2ccccc2N(C(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000424081652 295222479 /nfs/dbraw/zinc/22/24/79/295222479.db2.gz VWEKWFPSPKXXNB-HNNXBMFYSA-N 1 3 301.434 2.202 20 0 DEADHO NC[C@@H](NC(=O)[C@H]1CCCCC[NH2+]1)c1ccc2ccccc2c1 ZINC000365707246 295243417 /nfs/dbraw/zinc/24/34/17/295243417.db2.gz GVSCFFAFWRFGCE-QZTJIDSGSA-N 1 3 311.429 2.488 20 0 DEADHO COc1ccccc1C1(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])CCC1 ZINC000423029904 295357547 /nfs/dbraw/zinc/35/75/47/295357547.db2.gz ARRGWXPIVHLMRX-ZMSDIMECSA-N 1 3 318.461 2.459 20 0 DEADHO COc1ccccc1C1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)CCC1 ZINC000423029904 295357549 /nfs/dbraw/zinc/35/75/49/295357549.db2.gz ARRGWXPIVHLMRX-ZMSDIMECSA-N 1 3 318.461 2.459 20 0 DEADHO CC[C@@H](C)C[NH2+]C1CC(N(C)C(=O)CN2CCC(C)CC2)C1 ZINC001423694143 1173496436 /nfs/dbraw/zinc/49/64/36/1173496436.db2.gz ZCKBRIIFHDGQRO-ODIFPOPNSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)C1=CCN(C)CC1 ZINC000416199695 299063883 /nfs/dbraw/zinc/06/38/83/299063883.db2.gz ODCSVKZGCJJOMS-YJBOKZPZSA-N 1 3 315.461 2.446 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CCC[NH2+]C1)N(C)C ZINC000418162736 302205255 /nfs/dbraw/zinc/20/52/55/302205255.db2.gz CWNGARLUOVXXOG-UXLLHSPISA-N 1 3 318.465 2.037 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2C2CCCCC2)C1 ZINC000414679276 303366235 /nfs/dbraw/zinc/36/62/35/303366235.db2.gz RUAVYYCYYQRIEF-WBVHZDCISA-N 1 3 307.482 2.228 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]2C2CCCCC2)C1 ZINC000414679276 303366236 /nfs/dbraw/zinc/36/62/36/303366236.db2.gz RUAVYYCYYQRIEF-WBVHZDCISA-N 1 3 307.482 2.228 20 0 DEADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@H]1CCCC[NH2+]1 ZINC000163617082 303802468 /nfs/dbraw/zinc/80/24/68/303802468.db2.gz MGZKHCHXKUGLSW-IAGOWNOFSA-N 1 3 301.434 2.082 20 0 DEADHO Cc1cc(CNCCc2ccc(OCC[NH+](C)C)cc2)nn1C ZINC000414340042 533696296 /nfs/dbraw/zinc/69/62/96/533696296.db2.gz UBCBFFVUPWDPDD-UHFFFAOYSA-N 1 3 316.449 2.001 20 0 DEADHO CC[C@@H](C)C[NH2+]C1(C)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001424475949 1173802797 /nfs/dbraw/zinc/80/27/97/1173802797.db2.gz PFQUEOVOZAJGGF-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CCc1cccc(OC[C@H](O)C[NH2+][C@@H](C)C2=CCN(C)CC2)c1 ZINC000573112079 326025246 /nfs/dbraw/zinc/02/52/46/326025246.db2.gz ILQJSATXAUWLFA-MAUKXSAKSA-N 1 3 318.461 2.229 20 0 DEADHO Cc1ccc(NC(=O)CCNC[C@H](C)C[NH+]2CCCC2)nc1 ZINC000573713360 326084661 /nfs/dbraw/zinc/08/46/61/326084661.db2.gz ZLQQXWGDBXCGNA-HNNXBMFYSA-N 1 3 304.438 2.040 20 0 DEADHO Cc1ccc(NC(=O)CC[NH2+]C[C@H](C)CN2CCCC2)nc1 ZINC000573713360 326084664 /nfs/dbraw/zinc/08/46/64/326084664.db2.gz ZLQQXWGDBXCGNA-HNNXBMFYSA-N 1 3 304.438 2.040 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000573823188 326096599 /nfs/dbraw/zinc/09/65/99/326096599.db2.gz BVBTWQWAMQMCDB-WKILWMFISA-N 1 3 324.513 2.267 20 0 DEADHO COC[C@H](O)CNCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000574032573 326116297 /nfs/dbraw/zinc/11/62/97/326116297.db2.gz JENLEDVXJGNOAC-GOSISDBHSA-N 1 3 306.450 2.160 20 0 DEADHO O=C(NCCCN1CCc2ccccc2C1)[C@@H]1CCCCC[NH2+]1 ZINC000574208528 326133142 /nfs/dbraw/zinc/13/31/42/326133142.db2.gz PSBJAMGOZXZGHU-SFHVURJKSA-N 1 3 315.461 2.083 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000574391207 326149878 /nfs/dbraw/zinc/14/98/78/326149878.db2.gz PDMKGWULYWLOET-NGFQHRJXSA-N 1 3 320.437 2.145 20 0 DEADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000574391207 326149880 /nfs/dbraw/zinc/14/98/80/326149880.db2.gz PDMKGWULYWLOET-NGFQHRJXSA-N 1 3 320.437 2.145 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CC=CCC3)CC2)CC1 ZINC000574411809 326152785 /nfs/dbraw/zinc/15/27/85/326152785.db2.gz SLVFJAZGFVWSNL-KRWDZBQOSA-N 1 3 319.493 2.408 20 0 DEADHO C[N@H+](C[C@H](O)CNCC1(c2ccccc2Cl)CC1)C1CC1 ZINC000575117087 326220154 /nfs/dbraw/zinc/22/01/54/326220154.db2.gz ZMJJZYDQXSNREJ-CQSZACIVSA-N 1 3 308.853 2.416 20 0 DEADHO C[N@@H+](C[C@H](O)CNCC1(c2ccccc2Cl)CC1)C1CC1 ZINC000575117087 326220157 /nfs/dbraw/zinc/22/01/57/326220157.db2.gz ZMJJZYDQXSNREJ-CQSZACIVSA-N 1 3 308.853 2.416 20 0 DEADHO CC(C)OCc1ccccc1CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000576099476 326269115 /nfs/dbraw/zinc/26/91/15/326269115.db2.gz SPGWRVBZTDZKLB-FHLIZLRMSA-N 1 3 306.450 2.454 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCC[NH2+]C1CCCCCC1 ZINC000576807984 326320385 /nfs/dbraw/zinc/32/03/85/326320385.db2.gz XLZNWKGYGRXGFN-RHSMWYFYSA-N 1 3 322.497 2.081 20 0 DEADHO [NH3+]C[C@H]1CCCN(CCC(=O)NCc2ccccc2Cl)C1 ZINC000577062641 326339686 /nfs/dbraw/zinc/33/96/86/326339686.db2.gz SPEAZNCCUNUSEO-CYBMUJFWSA-N 1 3 309.841 2.017 20 0 DEADHO CN[C@@H](C)C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000577191296 326349413 /nfs/dbraw/zinc/34/94/13/326349413.db2.gz HAHYGJBOAIIOKU-XHSDSOJGSA-N 1 3 317.477 2.389 20 0 DEADHO CN[C@@H](C)C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000577191296 326349415 /nfs/dbraw/zinc/34/94/15/326349415.db2.gz HAHYGJBOAIIOKU-XHSDSOJGSA-N 1 3 317.477 2.389 20 0 DEADHO C[C@H](NC(=O)N1CCC[C@@H](C[NH3+])C1)[C@H](c1ccccc1)N(C)C ZINC000577208109 326350426 /nfs/dbraw/zinc/35/04/26/326350426.db2.gz ISAWZEMSHUJYEI-YQQAZPJKSA-N 1 3 318.465 2.058 20 0 DEADHO O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000378959538 333067571 /nfs/dbraw/zinc/06/75/71/333067571.db2.gz PBRXQUQZMRVYPE-FVVUREQNSA-N 1 3 300.446 2.400 20 0 DEADHO C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000582243407 336392315 /nfs/dbraw/zinc/39/23/15/336392315.db2.gz MFNAIZIISDRPHG-GDBMZVCRSA-N 1 3 303.450 2.171 20 0 DEADHO C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000582243407 336392316 /nfs/dbraw/zinc/39/23/16/336392316.db2.gz MFNAIZIISDRPHG-GDBMZVCRSA-N 1 3 303.450 2.171 20 0 DEADHO C[C@H](CNC[C@@H](O)Cc1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000582481341 337096641 /nfs/dbraw/zinc/09/66/41/337096641.db2.gz SSFANKYOJPDBQH-QAPCUYQASA-N 1 3 308.441 2.441 20 0 DEADHO C[C@H](C[NH2+]C[C@@H](O)Cc1ccc(F)cc1)CN1CCCCC1 ZINC000582481341 337096642 /nfs/dbraw/zinc/09/66/42/337096642.db2.gz SSFANKYOJPDBQH-QAPCUYQASA-N 1 3 308.441 2.441 20 0 DEADHO C[N@@H+]1CCC[C@@H](CCNC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000584458416 337342573 /nfs/dbraw/zinc/34/25/73/337342573.db2.gz QFFWHCZFIHGHIY-ZDUSSCGKSA-N 1 3 302.422 2.143 20 0 DEADHO C[N@H+]1CCC[C@@H](CCNC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000584458416 337342574 /nfs/dbraw/zinc/34/25/74/337342574.db2.gz QFFWHCZFIHGHIY-ZDUSSCGKSA-N 1 3 302.422 2.143 20 0 DEADHO C[N@H+](Cc1ccccc1)CC(C)(C)CNCCN1CCCC1=O ZINC000584474497 337346163 /nfs/dbraw/zinc/34/61/63/337346163.db2.gz VCADJBWWGKLQQZ-UHFFFAOYSA-N 1 3 317.477 2.357 20 0 DEADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNCCN1CCCC1=O ZINC000584474497 337346164 /nfs/dbraw/zinc/34/61/64/337346164.db2.gz VCADJBWWGKLQQZ-UHFFFAOYSA-N 1 3 317.477 2.357 20 0 DEADHO Cc1ccccc1C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001376802382 1159805580 /nfs/dbraw/zinc/80/55/80/1159805580.db2.gz NKLCQKGWMKZLOZ-NVXWUHKLSA-N 1 3 305.466 2.176 20 0 DEADHO CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001397267167 1160096602 /nfs/dbraw/zinc/09/66/02/1160096602.db2.gz ZUXHADKYYSQAGC-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001397267167 1160096611 /nfs/dbraw/zinc/09/66/11/1160096611.db2.gz ZUXHADKYYSQAGC-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@@H](C(=O)N[C@](C)(C[NH2+]Cc1ccsc1)C1CC1)N(C)C ZINC001378437213 1152328266 /nfs/dbraw/zinc/32/82/66/1152328266.db2.gz VUAXOCGUNNIXTA-DOTOQJQBSA-N 1 3 323.506 2.463 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CCC1CC1 ZINC001398204220 1160818104 /nfs/dbraw/zinc/81/81/04/1160818104.db2.gz KLZNDQIRQNSFCK-RDJZCZTQSA-N 1 3 309.498 2.486 20 0 DEADHO CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001398471023 1160905285 /nfs/dbraw/zinc/90/52/85/1160905285.db2.gz JEDFKMOWEQKALJ-SJORKVTESA-N 1 3 309.498 2.299 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)NC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000417704826 533783157 /nfs/dbraw/zinc/78/31/57/533783157.db2.gz MZKANOMHHQEYBY-HOCLYGCPSA-N 1 3 318.465 2.167 20 0 DEADHO C[C@H](NCC1(N2CCSCC2)CCCCC1)[C@H]1CCC[NH2+]1 ZINC000422710018 533835400 /nfs/dbraw/zinc/83/54/00/533835400.db2.gz KPZSRYGWGUBWRN-JKSUJKDBSA-N 1 3 311.539 2.468 20 0 DEADHO C[C@H](NCC1CCN(CC(F)(F)F)CC1)[C@H]1CCCC[NH2+]1 ZINC000423060421 533837588 /nfs/dbraw/zinc/83/75/88/533837588.db2.gz IDWJBZDETVGETB-GXTWGEPZSA-N 1 3 307.404 2.381 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000417667104 533864480 /nfs/dbraw/zinc/86/44/80/533864480.db2.gz HMFXPALVDXQFDU-WBVHZDCISA-N 1 3 318.465 2.078 20 0 DEADHO COc1ccc(Cl)cc1NC(=O)CCN[C@H](C)C[C@@H](C)[NH3+] ZINC000422827316 533871628 /nfs/dbraw/zinc/87/16/28/533871628.db2.gz SDCBQXUQXIBESD-GHMZBOCLSA-N 1 3 313.829 2.393 20 0 DEADHO C[C@@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)N1CCc2ccccc2C1 ZINC000422716106 534079455 /nfs/dbraw/zinc/07/94/55/534079455.db2.gz MWWVRZWQJYVVRO-JTDSTZFVSA-N 1 3 301.478 2.411 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)N[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414951273 534093402 /nfs/dbraw/zinc/09/34/02/534093402.db2.gz PMPKJTQKKIVMTA-VNHYZAJKSA-N 1 3 305.422 2.142 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCN[C@H](C)C2)cc1 ZINC000414951273 534093411 /nfs/dbraw/zinc/09/34/11/534093411.db2.gz PMPKJTQKKIVMTA-VNHYZAJKSA-N 1 3 305.422 2.142 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@H]1NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000422858132 534100579 /nfs/dbraw/zinc/10/05/79/534100579.db2.gz IMONHOMYIUAWKO-CXAGYDPISA-N 1 3 319.424 2.018 20 0 DEADHO C[C@@H](C[NH2+]CC1CCC2(CC2)CC1)N(C)C(=O)CN1CCCC1 ZINC001378854960 1152468681 /nfs/dbraw/zinc/46/86/81/1152468681.db2.gz RCAQCLFWDSQUPA-INIZCTEOSA-N 1 3 321.509 2.489 20 0 DEADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000338458736 519863235 /nfs/dbraw/zinc/86/32/35/519863235.db2.gz RCUDCXAXGKBRNX-IAGOWNOFSA-N 1 3 324.513 2.138 20 0 DEADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000338458736 519863238 /nfs/dbraw/zinc/86/32/38/519863238.db2.gz RCUDCXAXGKBRNX-IAGOWNOFSA-N 1 3 324.513 2.138 20 0 DEADHO CC[NH+](CC)Cc1ccc(C(=O)N2CCNC(C)(C)C2)cc1 ZINC000338225273 520745549 /nfs/dbraw/zinc/74/55/49/520745549.db2.gz JRVLXDAUPOPPKQ-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO CC[N@H+](CCNC(=O)NC[C@H](C)N1CCC(C)CC1)C(C)C ZINC000102563184 521058689 /nfs/dbraw/zinc/05/86/89/521058689.db2.gz ORBYIKIKASIIQH-INIZCTEOSA-N 1 3 312.502 2.136 20 0 DEADHO CC[N@@H+](CCNC(=O)NC[C@H](C)N1CCC(C)CC1)C(C)C ZINC000102563184 521058696 /nfs/dbraw/zinc/05/86/96/521058696.db2.gz ORBYIKIKASIIQH-INIZCTEOSA-N 1 3 312.502 2.136 20 0 DEADHO CCN(CCNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C)C1CC1 ZINC000338473364 521060315 /nfs/dbraw/zinc/06/03/15/521060315.db2.gz CRRLQTMLVRBNJU-CABCVRRESA-N 1 3 310.486 2.033 20 0 DEADHO CCN(CCNC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000338473364 521060323 /nfs/dbraw/zinc/06/03/23/521060323.db2.gz CRRLQTMLVRBNJU-CABCVRRESA-N 1 3 310.486 2.033 20 0 DEADHO CCN(Cc1ccc(C(=O)N2CCC[C@H]([NH3+])C2)cc1)C1CC1 ZINC000158399052 521301912 /nfs/dbraw/zinc/30/19/12/521301912.db2.gz GHIXHVONFFIJAA-INIZCTEOSA-N 1 3 301.434 2.234 20 0 DEADHO CCN1CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)C1 ZINC000163215116 521717822 /nfs/dbraw/zinc/71/78/22/521717822.db2.gz AUTMESACVFZDRE-QWHCGFSZSA-N 1 3 324.856 2.384 20 0 DEADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)CC(=O)Nc2cccnc2Cl)C1 ZINC000163215116 521717824 /nfs/dbraw/zinc/71/78/24/521717824.db2.gz AUTMESACVFZDRE-QWHCGFSZSA-N 1 3 324.856 2.384 20 0 DEADHO CC[N@H+]1CC[C@H](CN[C@@H](C)CC(=O)Nc2cccnc2Cl)C1 ZINC000163215116 521717825 /nfs/dbraw/zinc/71/78/25/521717825.db2.gz AUTMESACVFZDRE-QWHCGFSZSA-N 1 3 324.856 2.384 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@H](CC)N(C)C)[NH+](C)C)cc1 ZINC000124588974 524048960 /nfs/dbraw/zinc/04/89/60/524048960.db2.gz WZXKRROOSTVCCJ-IRXDYDNUSA-N 1 3 305.466 2.308 20 0 DEADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CCC2CCOCC2)CC1 ZINC000336875372 524577673 /nfs/dbraw/zinc/57/76/73/524577673.db2.gz FVFMEPAOJVFQJT-QZTJIDSGSA-N 1 3 323.525 2.294 20 0 DEADHO C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(OCCN(C)C)cc1 ZINC000158139722 525403637 /nfs/dbraw/zinc/40/36/37/525403637.db2.gz TUOIZLHKRJJJAC-YOEHRIQHSA-N 1 3 324.490 2.146 20 0 DEADHO C[C@@H](NC[C@H](O)C[NH+](C)C)[C@H](C)c1nc2ccccc2s1 ZINC000154312167 525492649 /nfs/dbraw/zinc/49/26/49/525492649.db2.gz XDJJJBKJJCTRMA-XQQFMLRXSA-N 1 3 307.463 2.300 20 0 DEADHO CC(C)(C(=O)NCC[C@H]1CCC[NH2+]C1)[C@H](N)c1ccccc1 ZINC000417787450 527520958 /nfs/dbraw/zinc/52/09/58/527520958.db2.gz DTEYUNKOYAPJEU-GDBMZVCRSA-N 1 3 303.450 2.219 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)C[C@@H]1C ZINC000441291501 527824504 /nfs/dbraw/zinc/82/45/04/527824504.db2.gz WSUHIOMGQDYKDF-HWMZRRJGSA-N 1 3 322.497 2.126 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)C[C@@H]1C ZINC000441291501 527824510 /nfs/dbraw/zinc/82/45/10/527824510.db2.gz WSUHIOMGQDYKDF-HWMZRRJGSA-N 1 3 322.497 2.126 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)NCC([NH3+])(CC)CC ZINC000418423698 528080485 /nfs/dbraw/zinc/08/04/85/528080485.db2.gz FOXQWOVAAHCECF-UHFFFAOYSA-N 1 3 312.502 2.411 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@H](C)CCC[NH3+])cc1 ZINC000418346923 528142994 /nfs/dbraw/zinc/14/29/94/528142994.db2.gz IFNCWDDCWBDHJT-CZUORRHYSA-N 1 3 306.454 2.236 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)NC(C)(C)CC[NH3+])c1ccccc1 ZINC000422589877 528239337 /nfs/dbraw/zinc/23/93/37/528239337.db2.gz KHBUANOUFCBSRK-INIZCTEOSA-N 1 3 320.481 2.496 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)N1C[C@H](C)NC[C@@H]1C)CC(C)C ZINC000416961411 528273363 /nfs/dbraw/zinc/27/33/63/528273363.db2.gz SDCGDEHHKNTQTN-JYJNAYRXSA-N 1 3 312.502 2.135 20 0 DEADHO CCCOCc1ccccc1CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000422688136 528597835 /nfs/dbraw/zinc/59/78/35/528597835.db2.gz CQRSCMUGELSWFF-FHLIZLRMSA-N 1 3 306.450 2.455 20 0 DEADHO CC1(C(=O)N2CCCNCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000422712391 528850640 /nfs/dbraw/zinc/85/06/40/528850640.db2.gz NYYYGYVZMSIWCZ-UHFFFAOYSA-N 1 3 315.461 2.111 20 0 DEADHO CCN1CCN(Cc2ccccc2CN[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000422893171 529149824 /nfs/dbraw/zinc/14/98/24/529149824.db2.gz PDTCOJJVIANFAN-SJORKVTESA-N 1 3 318.509 2.040 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCC[C@@H]1C[NH2+]C)c1ccco1 ZINC000418168355 529181935 /nfs/dbraw/zinc/18/19/35/529181935.db2.gz OBANXXCFNQULOH-ZNMIVQPWSA-N 1 3 322.453 2.102 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N1C[C@@H](C[NH3+])C[C@H]1C)c1ccco1 ZINC000418168030 529182589 /nfs/dbraw/zinc/18/25/89/529182589.db2.gz NLTPXYBCXVQGHM-GBJTYRQASA-N 1 3 322.453 2.088 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)NC1(C)CC[NH2+]CC1)c1ccco1 ZINC000418166765 529182692 /nfs/dbraw/zinc/18/26/92/529182692.db2.gz LSJKNDSNHNHPCH-UONOGXRCSA-N 1 3 322.453 2.150 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H](C[NH3+])CC(C)C)c1ccco1 ZINC000418169891 529182810 /nfs/dbraw/zinc/18/28/10/529182810.db2.gz QUJNADLUOILUFA-RRFJBIMHSA-N 1 3 324.469 2.381 20 0 DEADHO CCCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)C1 ZINC000247150376 534947864 /nfs/dbraw/zinc/94/78/64/534947864.db2.gz SWKWPWKTGSIWLJ-CABCVRRESA-N 1 3 314.437 2.045 20 0 DEADHO CC(C)COc1cccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000262158099 535240700 /nfs/dbraw/zinc/24/07/00/535240700.db2.gz SDWYRNHWMTVDGX-GOSISDBHSA-N 1 3 317.477 2.201 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)[C@@H](CN)c2ccc(F)cc2)CC1 ZINC000358885054 535268458 /nfs/dbraw/zinc/26/84/58/535268458.db2.gz NXQKIYGMZHUAPX-KRWDZBQOSA-N 1 3 321.440 2.249 20 0 DEADHO CCC[C@@](C)(N)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000262712217 535524097 /nfs/dbraw/zinc/52/40/97/535524097.db2.gz RQOSZPUFZVILQX-FUHWJXTLSA-N 1 3 309.498 2.474 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CCN(C2CC2)C1)CC(C)C ZINC000359220312 535659265 /nfs/dbraw/zinc/65/92/65/535659265.db2.gz GPBVOKPYYAIJRQ-DOTOQJQBSA-N 1 3 324.513 2.279 20 0 DEADHO CCN1C[C@H](C)[C@H]([NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000357341865 535781112 /nfs/dbraw/zinc/78/11/12/535781112.db2.gz HZDNHDOHJLWZLX-MAUKXSAKSA-N 1 3 302.466 2.228 20 0 DEADHO CC[C@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)[C@@H]1CCOC1 ZINC000359218385 535921343 /nfs/dbraw/zinc/92/13/43/535921343.db2.gz BJZFZIJFKKNKGO-QYZOEREBSA-N 1 3 318.461 2.158 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC(C[NH+](C)C)CC2)c1 ZINC000346136727 536021454 /nfs/dbraw/zinc/02/14/54/536021454.db2.gz NUKPXTDQWFYDIW-UHFFFAOYSA-N 1 3 303.450 2.162 20 0 DEADHO COc1cc2ccccc2cc1CNCC1(O)CC[NH+](C)CC1 ZINC000449165806 536894044 /nfs/dbraw/zinc/89/40/44/536894044.db2.gz XNPQKVQTFIOXGH-UHFFFAOYSA-N 1 3 314.429 2.395 20 0 DEADHO CC[C@H](C)C[NH2+]C[C@@H](NC(=O)Cc1nc[nH]c1C)C(C)(C)C ZINC001426144656 1174615927 /nfs/dbraw/zinc/61/59/27/1174615927.db2.gz GSGMLVHNXHYXIG-SWLSCSKDSA-N 1 3 308.470 2.427 20 0 DEADHO C[C@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001379098575 1152567613 /nfs/dbraw/zinc/56/76/13/1152567613.db2.gz NLLVODZGYXQEFM-DLBZAZTESA-N 1 3 317.477 2.480 20 0 DEADHO C[C@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001379098575 1152567614 /nfs/dbraw/zinc/56/76/14/1152567614.db2.gz NLLVODZGYXQEFM-DLBZAZTESA-N 1 3 317.477 2.480 20 0 DEADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CC1CCCCCC1 ZINC000939210219 1152577171 /nfs/dbraw/zinc/57/71/71/1152577171.db2.gz MFXVVUNIAGGMBO-RHSMWYFYSA-N 1 3 318.465 2.359 20 0 DEADHO Cc1cccc(C)c1C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001379451236 1152626459 /nfs/dbraw/zinc/62/64/59/1152626459.db2.gz RWYPITXELUNEAL-AEFFLSMTSA-N 1 3 319.493 2.484 20 0 DEADHO C[C@@H]([NH2+]C[C@H](C)NC(=O)CN(C)C1CCC1)c1ccc(F)cc1 ZINC001379517174 1152635727 /nfs/dbraw/zinc/63/57/27/1152635727.db2.gz RJEQNAPSILBELI-UONOGXRCSA-N 1 3 321.440 2.465 20 0 DEADHO C[C@@H]1C[C@@H](NC/C=C\Cl)CN1C(=O)CC1CC[NH+](C)CC1 ZINC001379588469 1152647405 /nfs/dbraw/zinc/64/74/05/1152647405.db2.gz SYDMXRNLKGHNBG-DFCLBCNGSA-N 1 3 313.873 2.050 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC(C)C)[C@H]2C1 ZINC001379634006 1152659756 /nfs/dbraw/zinc/65/97/56/1152659756.db2.gz YRUUJFCITQITJI-YESZJQIVSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)CC1(C)C ZINC001382368871 1153438183 /nfs/dbraw/zinc/43/81/83/1153438183.db2.gz MKVKUQZAORHKBB-JKSUJKDBSA-N 1 3 309.498 2.201 20 0 DEADHO COc1ccccc1N1CC[C@H](CN[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000925542515 625284931 /nfs/dbraw/zinc/28/49/31/625284931.db2.gz PAADGQQWIPCPOB-XHSDSOJGSA-N 1 3 303.450 2.252 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCN(Cc3ccsc3)C2)C1 ZINC001023749914 625421288 /nfs/dbraw/zinc/42/12/88/625421288.db2.gz CPAUHPHBHZSPOT-ZBFHGGJFSA-N 1 3 321.490 2.028 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCN(Cc3ccsc3)C2)C1 ZINC001023749914 625421290 /nfs/dbraw/zinc/42/12/90/625421290.db2.gz CPAUHPHBHZSPOT-ZBFHGGJFSA-N 1 3 321.490 2.028 20 0 DEADHO CCNC(=O)C1(C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CCC1 ZINC000925651101 625515338 /nfs/dbraw/zinc/51/53/38/625515338.db2.gz WHJADRMIUYXTIP-JKSUJKDBSA-N 1 3 307.482 2.051 20 0 DEADHO CC1CC(C[NH2+]C[C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001024018726 625546541 /nfs/dbraw/zinc/54/65/41/625546541.db2.gz RWZFWAYFBLOYTR-AQFXKWCLSA-N 1 3 321.509 2.345 20 0 DEADHO CC[NH2+]C1CCC(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001026609508 625561768 /nfs/dbraw/zinc/56/17/68/625561768.db2.gz JHHPCDNJRDJKLL-UHFFFAOYSA-N 1 3 303.450 2.399 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC000969844612 622949365 /nfs/dbraw/zinc/94/93/65/622949365.db2.gz LDOPVZHIABWKNY-IAGOWNOFSA-N 1 3 321.509 2.343 20 0 DEADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](NCc2ccccc2F)C1 ZINC000969948914 623016712 /nfs/dbraw/zinc/01/67/12/623016712.db2.gz NHPUPVUVAQQEOH-GOEBONIOSA-N 1 3 319.424 2.001 20 0 DEADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NCc2ccccc2F)C1 ZINC000969948914 623016720 /nfs/dbraw/zinc/01/67/20/623016720.db2.gz NHPUPVUVAQQEOH-GOEBONIOSA-N 1 3 319.424 2.001 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000969954421 623017597 /nfs/dbraw/zinc/01/75/97/623017597.db2.gz CTSXWTVFNOIZSO-CRAIPNDOSA-N 1 3 315.461 2.027 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1)N(C)C ZINC000969985608 623037844 /nfs/dbraw/zinc/03/78/44/623037844.db2.gz JOHZQNZGSUZXGD-NXHRZFHOSA-N 1 3 315.461 2.205 20 0 DEADHO CC(C)[C@@H](C(=O)NC1CCC([NH+]2CCCCC2)CC1)N(C)C ZINC000079638696 623092055 /nfs/dbraw/zinc/09/20/55/623092055.db2.gz VVTZCHBMRIFIEJ-JCYILVPMSA-N 1 3 309.498 2.486 20 0 DEADHO Cc1cccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC000970105683 623129675 /nfs/dbraw/zinc/12/96/75/623129675.db2.gz QXQHGVOOTWQKNL-GOEBONIOSA-N 1 3 312.417 2.212 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000970720558 623641021 /nfs/dbraw/zinc/64/10/21/623641021.db2.gz USSUUUYTTBVAFW-IAGOWNOFSA-N 1 3 315.461 2.342 20 0 DEADHO CC(C)([NH3+])CCNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000892860204 625669270 /nfs/dbraw/zinc/66/92/70/625669270.db2.gz GFRXCGSCSIGSLQ-UHFFFAOYSA-N 1 3 310.486 2.021 20 0 DEADHO CC(C)C[NH+]1CC([C@@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC000970930090 623798623 /nfs/dbraw/zinc/79/86/23/623798623.db2.gz WKEJMQIGTLYIKH-OAHLLOKOSA-N 1 3 317.477 2.454 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021606167 623823934 /nfs/dbraw/zinc/82/39/34/623823934.db2.gz PCYNVUFWYOROOC-SJLPKXTDSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021606167 623823939 /nfs/dbraw/zinc/82/39/39/623823939.db2.gz PCYNVUFWYOROOC-SJLPKXTDSA-N 1 3 321.509 2.440 20 0 DEADHO CCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021679538 623946736 /nfs/dbraw/zinc/94/67/36/623946736.db2.gz OWDHEYCYTVZCGR-ZBFHGGJFSA-N 1 3 304.438 2.065 20 0 DEADHO CCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021679538 623946738 /nfs/dbraw/zinc/94/67/38/623946738.db2.gz OWDHEYCYTVZCGR-ZBFHGGJFSA-N 1 3 304.438 2.065 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)C1CCCN(C2CC2)C1=O ZINC000924050665 624115730 /nfs/dbraw/zinc/11/57/30/624115730.db2.gz IDICUMUPLWUJPU-HZPDHXFCSA-N 1 3 322.449 2.194 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1COC(=O)C1CCCN(C2CC2)C1=O ZINC000924050665 624115731 /nfs/dbraw/zinc/11/57/31/624115731.db2.gz IDICUMUPLWUJPU-HZPDHXFCSA-N 1 3 322.449 2.194 20 0 DEADHO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC2)C1)N1CCCCC1 ZINC001022081655 624194173 /nfs/dbraw/zinc/19/41/73/624194173.db2.gz KHDZKDGHBNAVSA-IYBDPMFKSA-N 1 3 307.482 2.288 20 0 DEADHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1cccc(-n2cnnn2)c1 ZINC000161001674 624197164 /nfs/dbraw/zinc/19/71/64/624197164.db2.gz SEAHFYAADZBURD-BPUTZDHNSA-N 1 3 314.437 2.186 20 0 DEADHO C[N@@H+]1C[C@@H]2CN(C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)C[C@]2(C)C1 ZINC000933732540 624609060 /nfs/dbraw/zinc/60/90/60/624609060.db2.gz REPKLRLFZCCOMH-DAYGRLMNSA-N 1 3 323.481 2.127 20 0 DEADHO C[N@H+]1C[C@@H]2CN(C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)C[C@]2(C)C1 ZINC000933732540 624609061 /nfs/dbraw/zinc/60/90/61/624609061.db2.gz REPKLRLFZCCOMH-DAYGRLMNSA-N 1 3 323.481 2.127 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC001022711207 624862329 /nfs/dbraw/zinc/86/23/29/624862329.db2.gz UPCPWHGZQUZIEY-RYQLBKOJSA-N 1 3 315.461 2.216 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC2CC3(CCC3)C2)C1)N(C)C ZINC000972355185 624939623 /nfs/dbraw/zinc/93/96/23/624939623.db2.gz SORXITWSELURRU-IRXDYDNUSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC2CC3(CCC3)C2)C1)N(C)C ZINC000972355185 624939625 /nfs/dbraw/zinc/93/96/25/624939625.db2.gz SORXITWSELURRU-IRXDYDNUSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC000935002236 625178460 /nfs/dbraw/zinc/17/84/60/625178460.db2.gz SVUZEKUGWXGEIP-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC000935002236 625178462 /nfs/dbraw/zinc/17/84/62/625178462.db2.gz SVUZEKUGWXGEIP-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CN(CC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CCC3CC3)[C@@H]2C1)C1CCC1 ZINC001026285014 625262144 /nfs/dbraw/zinc/26/21/44/625262144.db2.gz WXCJWGFGDOCHAW-CGTJXYLNSA-N 1 3 319.493 2.097 20 0 DEADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C(C)(C)CO ZINC000926694939 625962560 /nfs/dbraw/zinc/96/25/60/625962560.db2.gz WAXVLENGUDBEIJ-HNNXBMFYSA-N 1 3 305.466 2.290 20 0 DEADHO CC(C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC000979093350 634498145 /nfs/dbraw/zinc/49/81/45/634498145.db2.gz VIYYUWRCPGRUJT-NNZMDNLPSA-N 1 3 315.461 2.064 20 0 DEADHO CC(C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC000979093350 634498148 /nfs/dbraw/zinc/49/81/48/634498148.db2.gz VIYYUWRCPGRUJT-NNZMDNLPSA-N 1 3 315.461 2.064 20 0 DEADHO CC(C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccccc3CN(C)C)[C@@H]2C1 ZINC000979103531 634501527 /nfs/dbraw/zinc/50/15/27/634501527.db2.gz OJGCNXNVZBPQAH-NNZMDNLPSA-N 1 3 315.461 2.064 20 0 DEADHO CC(C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccccc3CN(C)C)[C@@H]2C1 ZINC000979103531 634501528 /nfs/dbraw/zinc/50/15/28/634501528.db2.gz OJGCNXNVZBPQAH-NNZMDNLPSA-N 1 3 315.461 2.064 20 0 DEADHO C[C@H]1CCCN1CC(=O)N(C)C1CC([NH2+]Cc2ccsc2)C1 ZINC000999405311 634585928 /nfs/dbraw/zinc/58/59/28/634585928.db2.gz FQHGFUDHSSXHHI-JEYLPNPQSA-N 1 3 321.490 2.311 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)C2CC([NH2+]CCC3CCCC3)C2)C1 ZINC000999408396 634585953 /nfs/dbraw/zinc/58/59/53/634585953.db2.gz KCJDAVSBHRCJMI-FAEJEUNOSA-N 1 3 321.509 2.488 20 0 DEADHO CCC[NH2+]C1CC(N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC000999871036 634697012 /nfs/dbraw/zinc/69/70/12/634697012.db2.gz SJUTUXGEZYKQGT-UHFFFAOYSA-N 1 3 303.450 2.351 20 0 DEADHO CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2ccccc2)C(C)(C)C1)N(C)C ZINC000995952723 633147232 /nfs/dbraw/zinc/14/72/32/633147232.db2.gz RVCDXIHUZNAUEG-SJORKVTESA-N 1 3 317.477 2.353 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]([NH2+]CC2CCC2)C(C)(C)C1 ZINC000996301179 633231990 /nfs/dbraw/zinc/23/19/90/633231990.db2.gz RDSQPXSCLUIOCH-ZBFHGGJFSA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccsc2)C1)C1CC1 ZINC001026888189 633247624 /nfs/dbraw/zinc/24/76/24/633247624.db2.gz ACIGZELMMCRINI-XJKSGUPXSA-N 1 3 321.490 2.026 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NCCF)C(C)(C)C1 ZINC000996377641 633250090 /nfs/dbraw/zinc/25/00/90/633250090.db2.gz BNNSEWOHLMIHSD-LSDHHAIUSA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NCCF)C(C)(C)C1 ZINC000996377641 633250091 /nfs/dbraw/zinc/25/00/91/633250091.db2.gz BNNSEWOHLMIHSD-LSDHHAIUSA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC000996379332 633251330 /nfs/dbraw/zinc/25/13/30/633251330.db2.gz KVHUCSISMKJXBZ-SJORKVTESA-N 1 3 321.509 2.486 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001026916215 633262632 /nfs/dbraw/zinc/26/26/32/633262632.db2.gz DPVGNYMXYIQSGS-GDBMZVCRSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC2CC2)CC1(C)C ZINC000974760302 633284856 /nfs/dbraw/zinc/28/48/56/633284856.db2.gz QGPFOKPGFQMIPR-IAGOWNOFSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC2)CC1(C)C ZINC000974760302 633284859 /nfs/dbraw/zinc/28/48/59/633284859.db2.gz QGPFOKPGFQMIPR-IAGOWNOFSA-N 1 3 321.509 2.343 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]Cc2ccsc2)CC1)C1CC1 ZINC000996677592 633347925 /nfs/dbraw/zinc/34/79/25/633347925.db2.gz LLPLABCGECEEHC-MRXNPFEDSA-N 1 3 321.490 2.169 20 0 DEADHO CC(C)[NH2+]C[C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027064377 633385217 /nfs/dbraw/zinc/38/52/17/633385217.db2.gz CMXLEFRALJZDGU-WMLDXEAASA-N 1 3 313.461 2.045 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](C[NH2+]Cc2ccccc2)C1 ZINC001027063578 633385505 /nfs/dbraw/zinc/38/55/05/633385505.db2.gz NVYKXMKOTIZCSS-FUHWJXTLSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001027065172 633385969 /nfs/dbraw/zinc/38/59/69/633385969.db2.gz SCLXJVVHMHOJQC-HOTGVXAUSA-N 1 3 321.509 2.203 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001027070560 633419754 /nfs/dbraw/zinc/41/97/54/633419754.db2.gz UBYJLMCSKAFZKB-WBVHZDCISA-N 1 3 321.509 2.345 20 0 DEADHO CC1(C)CCN(CC(=O)N2CCC([NH2+]CC3CCCC3)CC2)C1 ZINC000996996930 633559272 /nfs/dbraw/zinc/55/92/72/633559272.db2.gz BTKDMRQFBSDVLA-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](C(C)C)CC1 ZINC000997072784 633566660 /nfs/dbraw/zinc/56/66/60/633566660.db2.gz QDFINKUICZOCAO-WBVHZDCISA-N 1 3 309.498 2.484 20 0 DEADHO CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC000997072017 633566832 /nfs/dbraw/zinc/56/68/32/633566832.db2.gz KABBETQTSCACLY-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCN(CC3=CCCCC3)C2)C1 ZINC001009520910 633671765 /nfs/dbraw/zinc/67/17/65/633671765.db2.gz YLSHUQXGAOSZMI-IAGOWNOFSA-N 1 3 305.466 2.019 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCN(CC3=CCCCC3)C2)C1 ZINC001009520910 633671766 /nfs/dbraw/zinc/67/17/66/633671766.db2.gz YLSHUQXGAOSZMI-IAGOWNOFSA-N 1 3 305.466 2.019 20 0 DEADHO O=C(CN1CCCC1)N1CCC([NH2+]Cc2ccccc2F)CC1 ZINC000997307091 633704956 /nfs/dbraw/zinc/70/49/56/633704956.db2.gz OIWWWMNQDOPXIB-UHFFFAOYSA-N 1 3 319.424 2.002 20 0 DEADHO CC(C)[NH2+]C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000997356742 633712825 /nfs/dbraw/zinc/71/28/25/633712825.db2.gz MPCAFXMBENQHRR-UHFFFAOYSA-N 1 3 303.450 2.351 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](CC2CC2)CC1 ZINC000997587318 633886630 /nfs/dbraw/zinc/88/66/30/633886630.db2.gz OGJWDMLTQJYENU-MAUKXSAKSA-N 1 3 321.509 2.486 20 0 DEADHO CC1CC(C[NH2+]CC2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC000997829866 634002944 /nfs/dbraw/zinc/00/29/44/634002944.db2.gz DPBNHDXDQLCARO-JFUPDXTOSA-N 1 3 321.509 2.201 20 0 DEADHO C[N@H+](CC1CCC1)[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027577969 634188691 /nfs/dbraw/zinc/18/86/91/634188691.db2.gz YWHVWPRTQMYFFA-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO C[N@@H+](CC1CCC1)[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027577969 634188694 /nfs/dbraw/zinc/18/86/94/634188694.db2.gz YWHVWPRTQMYFFA-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C[C@H]2C1 ZINC000980171490 634878378 /nfs/dbraw/zinc/87/83/78/634878378.db2.gz LZZSNVVHWJKTCR-JYJNAYRXSA-N 1 3 307.482 2.097 20 0 DEADHO CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C[C@H]2C1 ZINC000980171490 634878382 /nfs/dbraw/zinc/87/83/82/634878382.db2.gz LZZSNVVHWJKTCR-JYJNAYRXSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1C[C@H](C[NH2+]CC2CCC2)CN1C(=O)CN(C)C1CCC1 ZINC000980608037 635061277 /nfs/dbraw/zinc/06/12/77/635061277.db2.gz YLWWGHOQIJFEES-GDBMZVCRSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1C[C@@H](C[NH2+]CC2CCC2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000980700380 635097787 /nfs/dbraw/zinc/09/77/87/635097787.db2.gz NAFYPXWIKLDOLV-WBVHZDCISA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)=CCN1CCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001027964439 635098751 /nfs/dbraw/zinc/09/87/51/635098751.db2.gz KTFSEXQOAUOFLL-QGZVFWFLSA-N 1 3 319.493 2.409 20 0 DEADHO C[C@@H]1C[C@@H](C[NH2+]Cc2ccsc2)CN1C(=O)CN1CCCC1 ZINC000980799243 635155448 /nfs/dbraw/zinc/15/54/48/635155448.db2.gz FYQRBEQBJHSAIM-ZBFHGGJFSA-N 1 3 321.490 2.171 20 0 DEADHO C[C@H]1C[C@H](C[NH2+]CC2CCCCC2)CN1C(=O)CN1CCCC1 ZINC000980802371 635159839 /nfs/dbraw/zinc/15/98/39/635159839.db2.gz YLOHBCHSEKGIEE-FUHWJXTLSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CC1 ZINC001027985321 635167551 /nfs/dbraw/zinc/16/75/51/635167551.db2.gz GRCVUSVEGWRBEG-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1CC1 ZINC001027985321 635167555 /nfs/dbraw/zinc/16/75/55/635167555.db2.gz GRCVUSVEGWRBEG-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[N@H+](CCC(C)C)CC1 ZINC000981282964 635421777 /nfs/dbraw/zinc/42/17/77/635421777.db2.gz MAOWQUJGHCHOKH-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[N@@H+](CCC(C)C)CC1 ZINC000981282964 635421779 /nfs/dbraw/zinc/42/17/79/635421779.db2.gz MAOWQUJGHCHOKH-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCC2CC2)C1 ZINC000981486542 635500671 /nfs/dbraw/zinc/50/06/71/635500671.db2.gz NZYJHXRLHWQRBS-HUUCEWRRSA-N 1 3 304.438 2.078 20 0 DEADHO CC(C)=CCN1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001028098644 635514024 /nfs/dbraw/zinc/51/40/24/635514024.db2.gz ULPXUVHEVWTVAV-ULQDDVLXSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)=CCN1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001028098644 635514025 /nfs/dbraw/zinc/51/40/25/635514025.db2.gz ULPXUVHEVWTVAV-ULQDDVLXSA-N 1 3 307.482 2.264 20 0 DEADHO CN(C)C1(C(=O)N2CC3(C2)CCC[N@H+](CC2CCC2)C3)CCC1 ZINC000981810092 635664998 /nfs/dbraw/zinc/66/49/98/635664998.db2.gz LZKMQKVBIHJDLO-UHFFFAOYSA-N 1 3 319.493 2.195 20 0 DEADHO CN(C)C1(C(=O)N2CC3(C2)CCC[N@@H+](CC2CCC2)C3)CCC1 ZINC000981810092 635665003 /nfs/dbraw/zinc/66/50/03/635665003.db2.gz LZKMQKVBIHJDLO-UHFFFAOYSA-N 1 3 319.493 2.195 20 0 DEADHO CC(C)=CC[N@H+]1CCCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000981816064 635667926 /nfs/dbraw/zinc/66/79/26/635667926.db2.gz JDCBMVQANGJAMH-UHFFFAOYSA-N 1 3 319.493 2.361 20 0 DEADHO CC(C)=CC[N@@H+]1CCCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000981816064 635667929 /nfs/dbraw/zinc/66/79/29/635667929.db2.gz JDCBMVQANGJAMH-UHFFFAOYSA-N 1 3 319.493 2.361 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[N@H+](CC2CCCC2)CC1)N(C)C ZINC000981895874 635719183 /nfs/dbraw/zinc/71/91/83/635719183.db2.gz WXPWIRRCFDSZFS-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[N@@H+](CC2CCCC2)CC1)N(C)C ZINC000981895874 635719189 /nfs/dbraw/zinc/71/91/89/635719189.db2.gz WXPWIRRCFDSZFS-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[N@H+](CC2CC(C)C2)CC1)N(C)C ZINC000981897961 635721046 /nfs/dbraw/zinc/72/10/46/635721046.db2.gz DARIAPVUDHCZOU-OFLPRAFFSA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[N@@H+](CC2CC(C)C2)CC1)N(C)C ZINC000981897961 635721047 /nfs/dbraw/zinc/72/10/47/635721047.db2.gz DARIAPVUDHCZOU-OFLPRAFFSA-N 1 3 309.498 2.153 20 0 DEADHO N[C@H](CC1CC1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000318805649 635753262 /nfs/dbraw/zinc/75/32/62/635753262.db2.gz AMUVRDWZMZMBPY-MRXNPFEDSA-N 1 3 307.482 2.419 20 0 DEADHO COC(=O)c1ccc(CNCC2(C)CC[NH+](C)CC2)c(F)c1 ZINC000921978492 635781222 /nfs/dbraw/zinc/78/12/22/635781222.db2.gz LLRWGIAOAUPCSY-UHFFFAOYSA-N 1 3 308.397 2.434 20 0 DEADHO [NH3+][C@@H](CC1CC1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000318923097 635828979 /nfs/dbraw/zinc/82/89/79/635828979.db2.gz SYQCUAVILYZOSM-DLBZAZTESA-N 1 3 301.434 2.067 20 0 DEADHO N[C@@H](CC1CC1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000318923097 635828982 /nfs/dbraw/zinc/82/89/82/635828982.db2.gz SYQCUAVILYZOSM-DLBZAZTESA-N 1 3 301.434 2.067 20 0 DEADHO CC(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)C3(N(C)C)CCC3)C[C@@]2(C)C1 ZINC000982296081 635953682 /nfs/dbraw/zinc/95/36/82/635953682.db2.gz JJPGDUFXUWQDIQ-HDICACEKSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@H+]1C[C@@]2(C)CN(C(=O)C3(N(C)C)CCC3)C[C@@]2(C)C1 ZINC000982296081 635953685 /nfs/dbraw/zinc/95/36/85/635953685.db2.gz JJPGDUFXUWQDIQ-HDICACEKSA-N 1 3 321.509 2.297 20 0 DEADHO COc1ccccc1CN[C@@H]1C[C@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922390152 636152601 /nfs/dbraw/zinc/15/26/01/636152601.db2.gz XTGKHNJUKFOOFB-PSBWJHGTSA-N 1 3 318.461 2.265 20 0 DEADHO COc1ccccc1CN[C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922390152 636152604 /nfs/dbraw/zinc/15/26/04/636152604.db2.gz XTGKHNJUKFOOFB-PSBWJHGTSA-N 1 3 318.461 2.265 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnn(C(C)C)c1)C2 ZINC000922390375 636152816 /nfs/dbraw/zinc/15/28/16/636152816.db2.gz YYMXWMCTSSXGBJ-BDXSIMOUSA-N 1 3 320.481 2.033 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnn(C(C)C)c1)C2 ZINC000922390375 636152819 /nfs/dbraw/zinc/15/28/19/636152819.db2.gz YYMXWMCTSSXGBJ-BDXSIMOUSA-N 1 3 320.481 2.033 20 0 DEADHO CCC[N@H+]1C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)CC[C@@H]2C1 ZINC000946623940 636476080 /nfs/dbraw/zinc/47/60/80/636476080.db2.gz VEPSFFOEWLSZFM-IYBDPMFKSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@@H+]1C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)CC[C@@H]2C1 ZINC000946623940 636476081 /nfs/dbraw/zinc/47/60/81/636476081.db2.gz VEPSFFOEWLSZFM-IYBDPMFKSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001004586167 636494441 /nfs/dbraw/zinc/49/44/41/636494441.db2.gz QFPSLZSETSASFN-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001004586167 636494443 /nfs/dbraw/zinc/49/44/43/636494443.db2.gz QFPSLZSETSASFN-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]([NH2+]CC1CC1)[C@H]1CCCCN1C(=O)CN1CCC(C)(C)C1 ZINC001004936646 636617341 /nfs/dbraw/zinc/61/73/41/636617341.db2.gz HAXBSKRMWBQBEJ-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CC[NH+]1CCC(N(C)C(=O)CN2CCC[C@H]2C)CC1 ZINC001005990441 637045868 /nfs/dbraw/zinc/04/58/68/637045868.db2.gz GXIKEVVLTWDASN-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[NH+]1CCC(N(C)C(=O)CN2CCC(C)(C)C2)CC1 ZINC001006000232 637060630 /nfs/dbraw/zinc/06/06/30/637060630.db2.gz FTAIGBZFCPABQC-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000923269817 637070460 /nfs/dbraw/zinc/07/04/60/637070460.db2.gz VZNIWMDOMSNKMG-SQNIBIBYSA-N 1 3 315.461 2.375 20 0 DEADHO Cc1cc(C)cc(OC[C@@H](O)CN2CCCC[C@@H]2CC[NH3+])c1 ZINC000923354132 637134964 /nfs/dbraw/zinc/13/49/64/637134964.db2.gz QNSUQNFOHSRRIK-SJORKVTESA-N 1 3 306.450 2.246 20 0 DEADHO CN(C(=O)Cc1c[nH]cn1)C1CC[NH+](CC2CCCC2)CC1 ZINC001006059122 637135073 /nfs/dbraw/zinc/13/50/73/637135073.db2.gz GGEXZXFJQZXMLL-UHFFFAOYSA-N 1 3 304.438 2.065 20 0 DEADHO [NH3+]C[C@@H](NC[C@@H](O)COc1ccccc1F)C1CCCCC1 ZINC000923372746 637141725 /nfs/dbraw/zinc/14/17/25/637141725.db2.gz IZHVXYWEEZAKBY-GDBMZVCRSA-N 1 3 310.413 2.063 20 0 DEADHO Cc1ccc(CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)c(Cl)n1 ZINC000923451970 637189164 /nfs/dbraw/zinc/18/91/64/637189164.db2.gz OBFVKVOGOZLYIS-CQSZACIVSA-N 1 3 309.841 2.373 20 0 DEADHO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CC[C@H](CC[NH3+])C1 ZINC000923492044 637210956 /nfs/dbraw/zinc/21/09/56/637210956.db2.gz MTQLJPXNFNYYIQ-ZNMIVQPWSA-N 1 3 301.434 2.023 20 0 DEADHO C[C@@H](C(=O)N1CCCc2ccccc21)N1CC[C@H](CC[NH3+])C1 ZINC000923493429 637211508 /nfs/dbraw/zinc/21/15/08/637211508.db2.gz UUPXJPXTTASMBS-GJZGRUSLSA-N 1 3 301.434 2.025 20 0 DEADHO C[C@H](C(=O)N1CCCc2ccccc21)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923502180 637212353 /nfs/dbraw/zinc/21/23/53/637212353.db2.gz ADNNVJHYLHOZGR-BFYDXBDKSA-N 1 3 315.461 2.271 20 0 DEADHO C[C@H](C(=O)NC(C)(C)C)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923503867 637219075 /nfs/dbraw/zinc/21/90/75/637219075.db2.gz PYLLLSVPBVFIPL-HUUCEWRRSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H]([NH2+]CC1CCC1)C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001029107370 637239053 /nfs/dbraw/zinc/23/90/53/637239053.db2.gz LZAUCHHNVUEPMZ-KSSFIOAISA-N 1 3 321.509 2.343 20 0 DEADHO CN(CCC1CC[NH2+]CC1)CC(=O)NCCC1=CCCCC1 ZINC000923554669 637243922 /nfs/dbraw/zinc/24/39/22/637243922.db2.gz QQMOGMQPNWCDLD-UHFFFAOYSA-N 1 3 307.482 2.315 20 0 DEADHO C[C@H]([NH2+]CC1CC(C)C1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001029174457 637294352 /nfs/dbraw/zinc/29/43/52/637294352.db2.gz YSIDJHXXOYUKEK-CGZBRXJRSA-N 1 3 321.509 2.345 20 0 DEADHO Cn1nc(Br)cc1CNCC[C@H]1CCC[N@H+](C)C1 ZINC000839182393 637811546 /nfs/dbraw/zinc/81/15/46/637811546.db2.gz MYPYKYOEMNRLMM-LLVKDONJSA-N 1 3 315.259 2.004 20 0 DEADHO Cn1nc(Br)cc1CNCC[C@H]1CCC[N@@H+](C)C1 ZINC000839182393 637811549 /nfs/dbraw/zinc/81/15/49/637811549.db2.gz MYPYKYOEMNRLMM-LLVKDONJSA-N 1 3 315.259 2.004 20 0 DEADHO C[C@H](CC[NH2+]C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2)N(C)C ZINC000895291700 637891673 /nfs/dbraw/zinc/89/16/73/637891673.db2.gz BGXISEUERQSHTC-KEYYUXOJSA-N 1 3 311.470 2.173 20 0 DEADHO CN(C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)[C@@H]1CCCN(C)C1 ZINC000895963807 638286660 /nfs/dbraw/zinc/28/66/60/638286660.db2.gz JAJHNGPVHFXQNG-IAGOWNOFSA-N 1 3 322.497 2.129 20 0 DEADHO CN(C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)[C@@H]1CCCN(C)C1 ZINC000895963807 638286663 /nfs/dbraw/zinc/28/66/63/638286663.db2.gz JAJHNGPVHFXQNG-IAGOWNOFSA-N 1 3 322.497 2.129 20 0 DEADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000896202298 638413405 /nfs/dbraw/zinc/41/34/05/638413405.db2.gz GSGXYXILFYRNGQ-BNQMIIOLSA-N 1 3 322.497 2.127 20 0 DEADHO CC(C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000984797959 638692896 /nfs/dbraw/zinc/69/28/96/638692896.db2.gz NZJINBNXKMOHLQ-ZQIUZPCESA-N 1 3 313.461 2.092 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3)C2)C1 ZINC000984803852 638693329 /nfs/dbraw/zinc/69/33/29/638693329.db2.gz KHXRWJRIMGMQRV-SZMVWBNQSA-N 1 3 315.461 2.013 20 0 DEADHO C[NH+](C)CC(C)(C)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000909560576 639051534 /nfs/dbraw/zinc/05/15/34/639051534.db2.gz QPVCMUNTCQPSCF-UHFFFAOYSA-N 1 3 302.422 2.361 20 0 DEADHO CC[C@@H](NCCN1CCC([NH+](C)C)CC1)c1cccc(OC)n1 ZINC000925217303 639608149 /nfs/dbraw/zinc/60/81/49/639608149.db2.gz XJJJRJSQEUVOBQ-MRXNPFEDSA-N 1 3 320.481 2.157 20 0 DEADHO COc1ccc(OC)c([C@@H](O)CN2CCC(C[NH+](C)C)CC2)c1 ZINC000321361097 640130325 /nfs/dbraw/zinc/13/03/25/640130325.db2.gz UFUOBCCAZVVREW-KRWDZBQOSA-N 1 3 322.449 2.011 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)CN1CCCC1 ZINC000987531324 640213926 /nfs/dbraw/zinc/21/39/26/640213926.db2.gz MDRZTYITJZCNOL-RDJZCZTQSA-N 1 3 319.493 2.242 20 0 DEADHO COc1ccc([C@H](NC(C)C)C(=O)NC[C@H](C)C[NH+](C)C)cc1 ZINC000897823309 640945329 /nfs/dbraw/zinc/94/53/29/640945329.db2.gz CLTYYPLKLHKMDI-YOEHRIQHSA-N 1 3 321.465 2.048 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CC2CCCCC2)CN1C(=O)Cc1c[nH]cn1 ZINC000989493054 641123937 /nfs/dbraw/zinc/12/39/37/641123937.db2.gz QTNRQNGGDXNJGV-BBRMVZONSA-N 1 3 304.438 2.112 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CC2CCC2)CN1C(=O)CN1CCC(C)CC1 ZINC000989605032 641166819 /nfs/dbraw/zinc/16/68/19/641166819.db2.gz HKBFSKZOHNHVFH-RDJZCZTQSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCCN(CC2CC2)CC1)[NH+]1CCCCC1 ZINC000989739310 641216940 /nfs/dbraw/zinc/21/69/40/641216940.db2.gz RBQGHFAPKLRMMV-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC000989795955 641234765 /nfs/dbraw/zinc/23/47/65/641234765.db2.gz FAIMUHATNGYICA-FUHWJXTLSA-N 1 3 315.461 2.170 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)CN1C(=O)CN1CCCC1 ZINC000989798989 641236965 /nfs/dbraw/zinc/23/69/65/641236965.db2.gz ILAOAZXEHJINBS-RHSMWYFYSA-N 1 3 319.424 2.001 20 0 DEADHO CCC1([NH+]2CCC2)CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC000899554258 642103457 /nfs/dbraw/zinc/10/34/57/642103457.db2.gz ZHRWBMKNSYLGMR-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)C12CC[NH+](CC1)C2 ZINC000900013095 642234429 /nfs/dbraw/zinc/23/44/29/642234429.db2.gz GWZQRGFSLVUILV-QGZVFWFLSA-N 1 3 313.445 2.036 20 0 DEADHO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000900307034 642320889 /nfs/dbraw/zinc/32/08/89/642320889.db2.gz DMVGTDOCUHHMNI-AWEZNQCLSA-N 1 3 314.433 2.362 20 0 DEADHO CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000900307034 642320890 /nfs/dbraw/zinc/32/08/90/642320890.db2.gz DMVGTDOCUHHMNI-AWEZNQCLSA-N 1 3 314.433 2.362 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])c1 ZINC000900480448 642383343 /nfs/dbraw/zinc/38/33/43/642383343.db2.gz QILQJERHLHDTLP-MAUKXSAKSA-N 1 3 316.449 2.483 20 0 DEADHO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000900528523 642400821 /nfs/dbraw/zinc/40/08/21/642400821.db2.gz LTIINDPOCSHADK-MRXNPFEDSA-N 1 3 314.433 2.457 20 0 DEADHO CC(=O)N1CCC([NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)CC1 ZINC000781427368 642750700 /nfs/dbraw/zinc/75/07/00/642750700.db2.gz VFJCYYJXCJCSOR-ZBFHGGJFSA-N 1 3 307.482 2.240 20 0 DEADHO Cc1cccc(C)c1OC[C@H](O)CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902349678 643004292 /nfs/dbraw/zinc/00/42/92/643004292.db2.gz QAKVMIWEYLSODE-IAGOWNOFSA-N 1 3 320.477 2.411 20 0 DEADHO Cc1ncc2c(n1)CC[C@@H](NC1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC1)C2 ZINC000903065520 643236010 /nfs/dbraw/zinc/23/60/10/643236010.db2.gz IBRFONZYWIOGHS-DUZACMNTSA-N 1 3 312.461 2.390 20 0 DEADHO Cc1ncc2c(n1)CC[C@@H](NC1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)C2 ZINC000903065520 643236013 /nfs/dbraw/zinc/23/60/13/643236013.db2.gz IBRFONZYWIOGHS-DUZACMNTSA-N 1 3 312.461 2.390 20 0 DEADHO C[N@@H+]1CC[C@H](NC[C@](C)(O)c2cccc(F)c2)[C@H]2CCC[C@H]21 ZINC000903308625 643315505 /nfs/dbraw/zinc/31/55/05/643315505.db2.gz KDIQSKWXHBRXTJ-XDNAFOTISA-N 1 3 306.425 2.496 20 0 DEADHO C[N@H+]1CC[C@H](NC[C@](C)(O)c2cccc(F)c2)[C@H]2CCC[C@H]21 ZINC000903308625 643315506 /nfs/dbraw/zinc/31/55/06/643315506.db2.gz KDIQSKWXHBRXTJ-XDNAFOTISA-N 1 3 306.425 2.496 20 0 DEADHO CCN(CC(=O)Nc1cccc(OC)c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903426053 643346082 /nfs/dbraw/zinc/34/60/82/643346082.db2.gz DBQBEVGLWDMUKW-KGLIPLIRSA-N 1 3 305.422 2.083 20 0 DEADHO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903430014 643346837 /nfs/dbraw/zinc/34/68/37/643346837.db2.gz NLYGQLSOXUUMNL-GUTXKFCHSA-N 1 3 310.463 2.210 20 0 DEADHO COC(=O)[C@H](C)CN(Cc1ccccc1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903454345 643356759 /nfs/dbraw/zinc/35/67/59/643356759.db2.gz BEFNTKHWJGSISJ-INMHGKMJSA-N 1 3 304.434 2.153 20 0 DEADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@H](C)c1ccc(F)c(F)c1)C2 ZINC000903493202 643369866 /nfs/dbraw/zinc/36/98/66/643369866.db2.gz PACGUVNUXHHSBV-DAWNXDAASA-N 1 3 324.371 2.238 20 0 DEADHO C[C@@H]1CN([C@H]2CCN(c3cccc(Cl)c3)C2=O)C[C@H]1CC[NH3+] ZINC000903497289 643372427 /nfs/dbraw/zinc/37/24/27/643372427.db2.gz UBFUTFADMMAAOB-IOASZLSFSA-N 1 3 321.852 2.362 20 0 DEADHO COc1ccccc1C1(NC[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903763512 643452817 /nfs/dbraw/zinc/45/28/17/643452817.db2.gz LFRLHCBCQXBPPV-RHSMWYFYSA-N 1 3 302.418 2.043 20 0 DEADHO C[C@H](C(=O)NC(C)(C)C)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793996 643457366 /nfs/dbraw/zinc/45/73/66/643457366.db2.gz MJSPZMBIMDMGOS-OAHLLOKOSA-N 1 3 317.477 2.282 20 0 DEADHO [NH3+]CC1([C@H]2CCCCN2C[C@H](O)COc2ccccc2)CCC1 ZINC000903810758 643470808 /nfs/dbraw/zinc/47/08/08/643470808.db2.gz GUXDMCITDULAGN-FUHWJXTLSA-N 1 3 318.461 2.410 20 0 DEADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N([C@@H]1CCN(c3ccc(Cl)cc3)C1=O)C2 ZINC000903843431 643481253 /nfs/dbraw/zinc/48/12/53/643481253.db2.gz LCQXJCNGRHCHEC-DLKVLKDVSA-N 1 3 319.836 2.257 20 0 DEADHO COc1ccc([C@@H](CN)C[N@@H+]2C[C@@H]3CSC[C@]3(C)C2)cc1 ZINC000903870023 643490935 /nfs/dbraw/zinc/49/09/35/643490935.db2.gz CHKJDPFPLVLBJR-UXLLHSPISA-N 1 3 306.475 2.422 20 0 DEADHO COc1ccc([C@@H](CN)C[N@H+]2C[C@@H]3CSC[C@]3(C)C2)cc1 ZINC000903870023 643490937 /nfs/dbraw/zinc/49/09/37/643490937.db2.gz CHKJDPFPLVLBJR-UXLLHSPISA-N 1 3 306.475 2.422 20 0 DEADHO C[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)C[C@H](C)N1CC(F)(F)F ZINC000903875387 643492988 /nfs/dbraw/zinc/49/29/88/643492988.db2.gz PCZZNYNKUSVFEX-HZSPNIEDSA-N 1 3 307.404 2.333 20 0 DEADHO COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904322166 643636730 /nfs/dbraw/zinc/63/67/30/643636730.db2.gz QKUULFMCBZZWMZ-LZWOXQAQSA-N 1 3 317.433 2.144 20 0 DEADHO CCCn1nc(C)c(CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1C ZINC000904392607 643652411 /nfs/dbraw/zinc/65/24/11/643652411.db2.gz VBLJGANYLLLJKX-MRXNPFEDSA-N 1 3 320.481 2.240 20 0 DEADHO C[C@H]1C[C@@H](CN(C)CC(=O)NCCC2=CCCCC2)CC[NH2+]1 ZINC000904442754 643673067 /nfs/dbraw/zinc/67/30/67/643673067.db2.gz GUSYALWGEWKTAI-RDJZCZTQSA-N 1 3 307.482 2.313 20 0 DEADHO C[C@H](NC[C@@H](O)C[C@@H](O)c1ccccc1)C(C)(C)C[NH+](C)C ZINC000905131196 643806242 /nfs/dbraw/zinc/80/62/42/643806242.db2.gz DKESYVIWBBOASE-BHYGNILZSA-N 1 3 308.466 2.037 20 0 DEADHO C[C@H](CCNC[C@@H](O)C1(O)CCCC1)[N@H+](C)Cc1ccccc1 ZINC000905144175 643811241 /nfs/dbraw/zinc/81/12/41/643811241.db2.gz FHNGZIHLPWGKGR-SJLPKXTDSA-N 1 3 320.477 2.153 20 0 DEADHO C[C@H](CCNC[C@@H](O)C1(O)CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000905144175 643811246 /nfs/dbraw/zinc/81/12/46/643811246.db2.gz FHNGZIHLPWGKGR-SJLPKXTDSA-N 1 3 320.477 2.153 20 0 DEADHO CCCCCCN(CCN1CCOCC1)C[C@@H]1CCC[NH2+]C1 ZINC000843060132 650880739 /nfs/dbraw/zinc/88/07/39/650880739.db2.gz FHCDZVXVZXLJMO-GOSISDBHSA-N 1 3 311.514 2.201 20 0 DEADHO CC1CCN(CCC[NH2+]C[C@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000905890798 644074421 /nfs/dbraw/zinc/07/44/21/644074421.db2.gz VOAOBGMMQBYUAZ-MOPGFXCFSA-N 1 3 320.477 2.183 20 0 DEADHO [NH3+]C1CCC(NCc2cn(-c3ccc(F)c(Cl)c3)nn2)CC1 ZINC000843103787 650894662 /nfs/dbraw/zinc/89/46/62/650894662.db2.gz COSGZDWEAHGFSK-UHFFFAOYSA-N 1 3 323.803 2.419 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C)N(C)C ZINC000907635521 644597317 /nfs/dbraw/zinc/59/73/17/644597317.db2.gz KXTUHTSRTRMZCV-PVAVHDDUSA-N 1 3 305.466 2.443 20 0 DEADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000907761841 644635843 /nfs/dbraw/zinc/63/58/43/644635843.db2.gz GVCHYFSIVWINBI-BHYGNILZSA-N 1 3 305.466 2.136 20 0 DEADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000907761841 644635844 /nfs/dbraw/zinc/63/58/44/644635844.db2.gz GVCHYFSIVWINBI-BHYGNILZSA-N 1 3 305.466 2.136 20 0 DEADHO Cc1cc(=O)oc2cc(OCCN3C[C@@H](C[NH3+])C[C@@H]3C)ccc12 ZINC000843362457 650958129 /nfs/dbraw/zinc/95/81/29/650958129.db2.gz HNXMDHXQEKCLAC-UONOGXRCSA-N 1 3 316.401 2.149 20 0 DEADHO Cc1cc(=O)oc2cc(OCCN3C[C@@H](C[NH3+])C[C@H]3C)ccc12 ZINC000843362458 650958187 /nfs/dbraw/zinc/95/81/87/650958187.db2.gz HNXMDHXQEKCLAC-ZIAGYGMSSA-N 1 3 316.401 2.149 20 0 DEADHO CCN1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H](C)C1 ZINC000910283087 645387890 /nfs/dbraw/zinc/38/78/90/645387890.db2.gz KAIRAMJRSWLHDL-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO C[NH2+]Cc1ccccc1NC(=O)c1cccc2c1OCCNC2 ZINC000911681845 645780875 /nfs/dbraw/zinc/78/08/75/645780875.db2.gz CANVFBGAEIYRTN-UHFFFAOYSA-N 1 3 311.385 2.140 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC([NH+]3CCC3)CC2)c1 ZINC000912878661 646195640 /nfs/dbraw/zinc/19/56/40/646195640.db2.gz AQDGAEQHSMPTEM-UHFFFAOYSA-N 1 3 301.434 2.059 20 0 DEADHO C[N@H+](C[C@H](O)CN[C@H](c1ccccc1)C1CCOCC1)C1CC1 ZINC000809972678 646306186 /nfs/dbraw/zinc/30/61/86/646306186.db2.gz LNDWKFZLXAEVFQ-RTBURBONSA-N 1 3 318.461 2.199 20 0 DEADHO C[N@@H+](C[C@H](O)CN[C@H](c1ccccc1)C1CCOCC1)C1CC1 ZINC000809972678 646306188 /nfs/dbraw/zinc/30/61/88/646306188.db2.gz LNDWKFZLXAEVFQ-RTBURBONSA-N 1 3 318.461 2.199 20 0 DEADHO CC[NH+]1CCC(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000810195732 646338116 /nfs/dbraw/zinc/33/81/16/646338116.db2.gz BVCZGWLFFHPSAX-KRWDZBQOSA-N 1 3 313.461 2.047 20 0 DEADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000164518930 646447813 /nfs/dbraw/zinc/44/78/13/646447813.db2.gz LWPDFYOVHJXJQE-KFWWJZLASA-N 1 3 311.470 2.316 20 0 DEADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000164518930 646447815 /nfs/dbraw/zinc/44/78/15/646447815.db2.gz LWPDFYOVHJXJQE-KFWWJZLASA-N 1 3 311.470 2.316 20 0 DEADHO COc1cccc([C@H](O)CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000817905622 647378585 /nfs/dbraw/zinc/37/85/85/647378585.db2.gz QLMRBNXQLYEJDI-BRSBDYLESA-N 1 3 304.434 2.239 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000817918035 647380891 /nfs/dbraw/zinc/38/08/91/647380891.db2.gz GMQMDEFTWOTFHS-IUODEOHRSA-N 1 3 305.422 2.185 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(N2CCOC2=O)cc1 ZINC000817921936 647382027 /nfs/dbraw/zinc/38/20/27/647382027.db2.gz LEBXDIOAJIVAJC-GDBMZVCRSA-N 1 3 303.406 2.250 20 0 DEADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCOC2=O)cc1 ZINC000817921660 647382271 /nfs/dbraw/zinc/38/22/71/647382271.db2.gz GBIBMMWXINGESA-JKSUJKDBSA-N 1 3 303.406 2.393 20 0 DEADHO C[C@H](NC1CCC(O)(c2cccnc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000817924492 647383429 /nfs/dbraw/zinc/38/34/29/647383429.db2.gz HGTYFCOVXUGMAC-FQXVJMBOSA-N 1 3 303.450 2.332 20 0 DEADHO CN(C(=O)c1cccc(C[NH3+])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000818608086 647487519 /nfs/dbraw/zinc/48/75/19/647487519.db2.gz LLGPHTLDJQICMK-LJQANCHMSA-N 1 3 323.440 2.492 20 0 DEADHO C[NH+](C)CCOc1ccccc1CNC[C@H](O)c1ccccc1 ZINC000818985722 647557503 /nfs/dbraw/zinc/55/75/03/647557503.db2.gz VFONJRQZYUMXRI-SFHVURJKSA-N 1 3 314.429 2.450 20 0 DEADHO Cc1ccccc1[C@@H](O)CNCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000819264999 647621186 /nfs/dbraw/zinc/62/11/86/647621186.db2.gz KIJCEDWSNOJNJH-AEFFLSMTSA-N 1 3 306.450 2.119 20 0 DEADHO Cc1ccccc1[C@@H](O)CNCCC[N@H+]1CCCO[C@H](C)C1 ZINC000819264999 647621188 /nfs/dbraw/zinc/62/11/88/647621188.db2.gz KIJCEDWSNOJNJH-AEFFLSMTSA-N 1 3 306.450 2.119 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)C(C)(C)N2CCCC2)CCC[N@@H+]1CCCF ZINC000993683204 647724362 /nfs/dbraw/zinc/72/43/62/647724362.db2.gz LWPGSQUKXOXATJ-CABCVRRESA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)C(C)(C)N2CCCC2)CCC[N@H+]1CCCF ZINC000993683204 647724365 /nfs/dbraw/zinc/72/43/65/647724365.db2.gz LWPGSQUKXOXATJ-CABCVRRESA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)=CCN1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993757414 647740427 /nfs/dbraw/zinc/74/04/27/647740427.db2.gz HDQAFIZFKKBDJQ-DOTOQJQBSA-N 1 3 307.482 2.264 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC)CC1(C)C ZINC000940785044 648941183 /nfs/dbraw/zinc/94/11/83/648941183.db2.gz GMCZIGQMKIYRHM-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC)CC1(C)C ZINC000940785044 648941186 /nfs/dbraw/zinc/94/11/86/648941186.db2.gz GMCZIGQMKIYRHM-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)CC[NH2+]C(C)(C)C)C2)cc1 ZINC000828314879 649164888 /nfs/dbraw/zinc/16/48/88/649164888.db2.gz PRQFPLBZANJBOR-QGZVFWFLSA-N 1 3 317.477 2.464 20 0 DEADHO CCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](C)C1 ZINC000942557844 649243606 /nfs/dbraw/zinc/24/36/06/649243606.db2.gz NWJPXIWROJFSAA-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](C)C1 ZINC000942557844 649243607 /nfs/dbraw/zinc/24/36/07/649243607.db2.gz NWJPXIWROJFSAA-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001389347765 1155315839 /nfs/dbraw/zinc/31/58/39/1155315839.db2.gz OIZHNVNZWBLVDB-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO CN(C)CCN(CCCc1ccccc1)C(=O)C[C@H]([NH3+])C1CC1 ZINC000830360433 649432684 /nfs/dbraw/zinc/43/26/84/649432684.db2.gz IBFYBTXXMQPICW-SFHVURJKSA-N 1 3 317.477 2.137 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)NCCCCCC[NH3+])N(C)C)cc1 ZINC000831116906 649540771 /nfs/dbraw/zinc/54/07/71/649540771.db2.gz KOHYUGMWSMAXEK-QGZVFWFLSA-N 1 3 320.481 2.416 20 0 DEADHO CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@@H](C)C1 ZINC000945090271 649609492 /nfs/dbraw/zinc/60/94/92/649609492.db2.gz KIIOHVQCJHMEFZ-WMLDXEAASA-N 1 3 303.450 2.208 20 0 DEADHO CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@@H](C)C1 ZINC000945090271 649609495 /nfs/dbraw/zinc/60/94/95/649609495.db2.gz KIIOHVQCJHMEFZ-WMLDXEAASA-N 1 3 303.450 2.208 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@@H](CC[NH3+])C2)cc(Cl)n1 ZINC000834703418 649833553 /nfs/dbraw/zinc/83/35/53/649833553.db2.gz JRVCNCNNYZZLQM-GXTWGEPZSA-N 1 3 324.856 2.021 20 0 DEADHO [NH3+]CCCCCCN1CCN(CCOc2ccccc2)CC1 ZINC000846221788 651316034 /nfs/dbraw/zinc/31/60/34/651316034.db2.gz OURPPTAOBBNPBC-UHFFFAOYSA-N 1 3 305.466 2.202 20 0 DEADHO COc1ccccc1CN1CCN(CCCCCC[NH3+])CC1 ZINC000846221838 651316103 /nfs/dbraw/zinc/31/61/03/651316103.db2.gz QZGMFRMZRISUGF-UHFFFAOYSA-N 1 3 305.466 2.332 20 0 DEADHO CC[NH+](CC)CCO[C@@H]1CCN(CC2(Br)CC2)C1 ZINC000846811223 651353988 /nfs/dbraw/zinc/35/39/88/651353988.db2.gz KTSNHZYALJMZAE-CYBMUJFWSA-N 1 3 319.287 2.347 20 0 DEADHO CN(CCCN(C)Cc1cnc(Cl)c(F)c1)CC[NH+](C)C ZINC000846906670 651360939 /nfs/dbraw/zinc/36/09/39/651360939.db2.gz QQDGGCMSKBKSKK-UHFFFAOYSA-N 1 3 316.852 2.189 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCOc1ccccc1F ZINC000849071652 651598400 /nfs/dbraw/zinc/59/84/00/651598400.db2.gz QEEVEMRVWDZNJP-CQSZACIVSA-N 1 3 322.428 2.193 20 0 DEADHO COC(=O)N(C)CC[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000850548332 651951056 /nfs/dbraw/zinc/95/10/56/651951056.db2.gz OMQXCOMEUUQPDG-NVXWUHKLSA-N 1 3 319.449 2.185 20 0 DEADHO C[C@H]([NH3+])CCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000857112468 652053974 /nfs/dbraw/zinc/05/39/74/652053974.db2.gz MIRAOVGHEGSWEX-RDJZCZTQSA-N 1 3 318.465 2.030 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001390037438 1155506531 /nfs/dbraw/zinc/50/65/31/1155506531.db2.gz IKSHSZSPGUAQDI-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001390037438 1155506541 /nfs/dbraw/zinc/50/65/41/1155506541.db2.gz IKSHSZSPGUAQDI-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000851631161 652192471 /nfs/dbraw/zinc/19/24/71/652192471.db2.gz XGNJKWZJVJBGJU-ZMSDIMECSA-N 1 3 301.434 2.210 20 0 DEADHO CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001390135285 1155540404 /nfs/dbraw/zinc/54/04/04/1155540404.db2.gz REUYEYPJVZSCQC-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001390135285 1155540407 /nfs/dbraw/zinc/54/04/07/1155540407.db2.gz REUYEYPJVZSCQC-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@H]([NH2+]C[C@H](O)CN(C)C(C)C)[C@H](O)c1ccccc1 ZINC000852036183 652319950 /nfs/dbraw/zinc/31/99/50/652319950.db2.gz SYFBAQWZPIAOPT-OKZBNKHCSA-N 1 3 308.466 2.035 20 0 DEADHO NC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)nc1)C1CCCCC1 ZINC000852749878 652449119 /nfs/dbraw/zinc/44/91/19/652449119.db2.gz IPNYBMJPIUKAFK-CYBMUJFWSA-N 1 3 310.829 2.171 20 0 DEADHO CCN(C(=O)NCCCCCCC[NH+](C)C)[C@H]1CCN(C)C1 ZINC000853486645 652553783 /nfs/dbraw/zinc/55/37/83/652553783.db2.gz GOHHLEXPXUFESK-INIZCTEOSA-N 1 3 312.502 2.234 20 0 DEADHO C[NH2+]C[C@H](C)N[C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000854233246 652662565 /nfs/dbraw/zinc/66/25/65/652662565.db2.gz YEPKKDVHRGYFFQ-GJZGRUSLSA-N 1 3 305.422 2.237 20 0 DEADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(N2CCCNC2=O)cc1 ZINC000854231017 652662825 /nfs/dbraw/zinc/66/28/25/652662825.db2.gz HBOGONWPHBTXAD-WMLDXEAASA-N 1 3 316.449 2.084 20 0 DEADHO CN(CC(=O)N1CCC(C[N@H+](C)CCCF)CC1)C1CCC1 ZINC001391364944 1156363081 /nfs/dbraw/zinc/36/30/81/1156363081.db2.gz UAOMYPLDXWOCPO-UHFFFAOYSA-N 1 3 313.461 2.001 20 0 DEADHO CN(CC(=O)N1CCC(C[N@@H+](C)CCCF)CC1)C1CCC1 ZINC001391364944 1156363088 /nfs/dbraw/zinc/36/30/88/1156363088.db2.gz UAOMYPLDXWOCPO-UHFFFAOYSA-N 1 3 313.461 2.001 20 0 DEADHO CN(C)C1(C(=O)NCCC2CC[NH+](CC3CC3)CC2)CCC1 ZINC001373937123 1157483617 /nfs/dbraw/zinc/48/36/17/1157483617.db2.gz GTQMAAAAHYAQHT-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](N)CC1CC1 ZINC000382731766 685405491 /nfs/dbraw/zinc/40/54/91/685405491.db2.gz BZBQJCNCRRXHQQ-QZTJIDSGSA-N 1 3 315.461 2.094 20 0 DEADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](N)CC1CC1 ZINC000382731766 685405493 /nfs/dbraw/zinc/40/54/93/685405493.db2.gz BZBQJCNCRRXHQQ-QZTJIDSGSA-N 1 3 315.461 2.094 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CCCCC[NH3+] ZINC000389897216 685437370 /nfs/dbraw/zinc/43/73/70/685437370.db2.gz ZYQVUMHDEPPMMD-NVXWUHKLSA-N 1 3 303.450 2.142 20 0 DEADHO C[C@H](CNC(=O)CC[NH2+]C(C)(C)C)N(C)Cc1ccccc1 ZINC000390780591 685442951 /nfs/dbraw/zinc/44/29/51/685442951.db2.gz QQBAFELTLNFBKI-OAHLLOKOSA-N 1 3 305.466 2.401 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CCS(=O)(=O)CCN1[C@@H](C)CC[C@@H]1C ZINC000123332698 684124085 /nfs/dbraw/zinc/12/40/85/684124085.db2.gz PPBILPSQMIUPOY-YHUYYLMFSA-N 1 3 316.511 2.147 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CCS(=O)(=O)CC[NH+]1[C@@H](C)CC[C@@H]1C ZINC000123332698 684124086 /nfs/dbraw/zinc/12/40/86/684124086.db2.gz PPBILPSQMIUPOY-YHUYYLMFSA-N 1 3 316.511 2.147 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1CCS(=O)(=O)CCN1[C@@H](C)CC[C@@H]1C ZINC000123332698 684124089 /nfs/dbraw/zinc/12/40/89/684124089.db2.gz PPBILPSQMIUPOY-YHUYYLMFSA-N 1 3 316.511 2.147 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCS(=O)(=O)CCN1[C@@H](C)CC[C@@H]1C ZINC000123332698 684124090 /nfs/dbraw/zinc/12/40/90/684124090.db2.gz PPBILPSQMIUPOY-YHUYYLMFSA-N 1 3 316.511 2.147 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205114 693881809 /nfs/dbraw/zinc/88/18/09/693881809.db2.gz KSZYEGSKOSVFNT-SFHVURJKSA-N 1 3 318.465 2.313 20 0 DEADHO CC(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205114 693881810 /nfs/dbraw/zinc/88/18/10/693881810.db2.gz KSZYEGSKOSVFNT-SFHVURJKSA-N 1 3 318.465 2.313 20 0 DEADHO CC(C)[N@H+](C)C[C@H](O)CN1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859926755 685855172 /nfs/dbraw/zinc/85/51/72/685855172.db2.gz MZONCSYKTOZDSZ-CADBVGFASA-N 1 3 302.462 2.423 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](O)CN1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859926755 685855176 /nfs/dbraw/zinc/85/51/76/685855176.db2.gz MZONCSYKTOZDSZ-CADBVGFASA-N 1 3 302.462 2.423 20 0 DEADHO C[C@H]([NH3+])CN(C)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000861581351 686149791 /nfs/dbraw/zinc/14/97/91/686149791.db2.gz NLFNYNDRINBHMH-RDJZCZTQSA-N 1 3 318.465 2.202 20 0 DEADHO CC(=O)Nc1cccc(C[N@H+]2C[C@@]3(C)CN(C)C[C@@]3(C)C2)c1 ZINC000864054325 686606498 /nfs/dbraw/zinc/60/64/98/686606498.db2.gz WQRVMTCJKZEPFA-HDICACEKSA-N 1 3 301.434 2.419 20 0 DEADHO CC(=O)Nc1cccc(C[N@@H+]2C[C@@]3(C)CN(C)C[C@@]3(C)C2)c1 ZINC000864054325 686606501 /nfs/dbraw/zinc/60/65/01/686606501.db2.gz WQRVMTCJKZEPFA-HDICACEKSA-N 1 3 301.434 2.419 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000864057791 686608172 /nfs/dbraw/zinc/60/81/72/686608172.db2.gz QVECFYLSLBWZTL-HNNXBMFYSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H]1CN(CCc2cccc(F)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000930138062 694098518 /nfs/dbraw/zinc/09/85/18/694098518.db2.gz WRUMVWBZQKLUNN-APWZRJJASA-N 1 3 319.468 2.326 20 0 DEADHO C[C@@H]1C[N@H+](CCc2cccc(F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000930138062 694098520 /nfs/dbraw/zinc/09/85/20/694098520.db2.gz WRUMVWBZQKLUNN-APWZRJJASA-N 1 3 319.468 2.326 20 0 DEADHO C[C@@H]1C[N@@H+](CCc2cccc(F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000930138062 694098525 /nfs/dbraw/zinc/09/85/25/694098525.db2.gz WRUMVWBZQKLUNN-APWZRJJASA-N 1 3 319.468 2.326 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](C(C)C)CC2 ZINC001016616146 687665961 /nfs/dbraw/zinc/66/59/61/687665961.db2.gz ZTEGPHOPPAEFTD-HOTGVXAUSA-N 1 3 307.482 2.238 20 0 DEADHO CC(C)CC[NH+]1CCC2(C[C@H]2NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001016821045 687710230 /nfs/dbraw/zinc/71/02/30/687710230.db2.gz WXSKRSKRENYONV-IAGOWNOFSA-N 1 3 321.509 2.345 20 0 DEADHO CCCC[NH+]1CCC2(C[C@H]2NC(=O)Cc2nc[nH]c2C)CC1 ZINC001016949384 687741707 /nfs/dbraw/zinc/74/17/07/687741707.db2.gz DHIXYTRDKHMPJJ-OAHLLOKOSA-N 1 3 304.438 2.031 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@H](C[N@H+](C)CC2CCC2)C1)C1CC1 ZINC001017143269 687802434 /nfs/dbraw/zinc/80/24/34/687802434.db2.gz VCYOYVZQQVDSEF-AEFFLSMTSA-N 1 3 321.509 2.297 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC2CCC2)C1)C1CC1 ZINC001017143269 687802438 /nfs/dbraw/zinc/80/24/38/687802438.db2.gz VCYOYVZQQVDSEF-AEFFLSMTSA-N 1 3 321.509 2.297 20 0 DEADHO CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001017550283 687909954 /nfs/dbraw/zinc/90/99/54/687909954.db2.gz WMROZAWKBURGDQ-XWTMOSNGSA-N 1 3 319.493 2.336 20 0 DEADHO CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001017550283 687909957 /nfs/dbraw/zinc/90/99/57/687909957.db2.gz WMROZAWKBURGDQ-XWTMOSNGSA-N 1 3 319.493 2.336 20 0 DEADHO CC1CC(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CN2CCC[C@H]2C)C1 ZINC001017940884 688007035 /nfs/dbraw/zinc/00/70/35/688007035.db2.gz BWRMCMDPZPBTHO-GNBAHCQZSA-N 1 3 319.493 2.192 20 0 DEADHO CC1CC(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CN2CCC[C@H]2C)C1 ZINC001017940884 688007040 /nfs/dbraw/zinc/00/70/40/688007040.db2.gz BWRMCMDPZPBTHO-GNBAHCQZSA-N 1 3 319.493 2.192 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001018962861 688263190 /nfs/dbraw/zinc/26/31/90/688263190.db2.gz NIVACPWUDLHPJL-KRWDZBQOSA-N 1 3 315.461 2.170 20 0 DEADHO CN(CC(=O)N1CC[C@H]([NH2+]Cc2cccc(F)c2)C1)C1CCC1 ZINC001018971515 688264196 /nfs/dbraw/zinc/26/41/96/688264196.db2.gz DOTCFHMFQLTYDI-INIZCTEOSA-N 1 3 319.424 2.001 20 0 DEADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cs1 ZINC001019342978 688333819 /nfs/dbraw/zinc/33/38/19/688333819.db2.gz RCVQNZQETOMIIO-JKSUJKDBSA-N 1 3 323.506 2.333 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001019381654 688343448 /nfs/dbraw/zinc/34/34/48/688343448.db2.gz OLBZKJGVSWWCPR-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(CF)cc2)C1)N(C)C ZINC001019397140 688347034 /nfs/dbraw/zinc/34/70/34/688347034.db2.gz KRPKVVKXJGEYFY-IRXDYDNUSA-N 1 3 321.440 2.187 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CC3CCCC3)C2)CC1 ZINC001019560648 688375400 /nfs/dbraw/zinc/37/54/00/688375400.db2.gz QQKUVUHLKFQBQF-KRWDZBQOSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CC[NH2+]CC2CC2)C1 ZINC000870872719 688673522 /nfs/dbraw/zinc/67/35/22/688673522.db2.gz HJDVJKZZRYUIDB-CRAIPNDOSA-N 1 3 315.461 2.328 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)CCC23CC(C2)C[NH2+]3)N(C)C)cc1 ZINC000870875050 688675212 /nfs/dbraw/zinc/67/52/12/688675212.db2.gz UJXKGBRUWKNGKZ-URSIVYNOSA-N 1 3 315.461 2.246 20 0 DEADHO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)c2cccc3c2CNC3)C1 ZINC000870989647 688705417 /nfs/dbraw/zinc/70/54/17/688705417.db2.gz LYJAPTKCSLGFDC-GOSISDBHSA-N 1 3 301.434 2.127 20 0 DEADHO Cc1ccccc1[C@H](C)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001032182559 689079166 /nfs/dbraw/zinc/07/91/66/689079166.db2.gz NMNHUNGDBGABTI-DOTOQJQBSA-N 1 3 315.461 2.056 20 0 DEADHO Cc1ccccc1[C@H](C)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032182559 689079169 /nfs/dbraw/zinc/07/91/69/689079169.db2.gz NMNHUNGDBGABTI-DOTOQJQBSA-N 1 3 315.461 2.056 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NCC1C[NH+](CC2CCC2)C1 ZINC001032204962 689083318 /nfs/dbraw/zinc/08/33/18/689083318.db2.gz KMHPKTKLSPBNQQ-UHFFFAOYSA-N 1 3 315.461 2.210 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC2CCC2)C1 ZINC001032442845 689152405 /nfs/dbraw/zinc/15/24/05/689152405.db2.gz FNJNVVITFKJRHW-SQNIBIBYSA-N 1 3 319.493 2.050 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC2CCC2)C1 ZINC001032442845 689152406 /nfs/dbraw/zinc/15/24/06/689152406.db2.gz FNJNVVITFKJRHW-SQNIBIBYSA-N 1 3 319.493 2.050 20 0 DEADHO NCc1cn(-c2cccc(C[NH2+][C@@H]3CCCc4occc43)c2)nn1 ZINC000873244963 689192302 /nfs/dbraw/zinc/19/23/02/689192302.db2.gz WWJATLFHNAWECP-QGZVFWFLSA-N 1 3 323.400 2.486 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000873249882 689194552 /nfs/dbraw/zinc/19/45/52/689194552.db2.gz DBDGMKSGDQUVFV-CJNGLKHVSA-N 1 3 319.449 2.085 20 0 DEADHO C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCC2)CC1 ZINC001032603247 689198352 /nfs/dbraw/zinc/19/83/52/689198352.db2.gz SYPZNHILYHRNOP-ROUUACIJSA-N 1 3 319.493 2.194 20 0 DEADHO c1ccc(NC2CC(N[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000873295340 689204452 /nfs/dbraw/zinc/20/44/52/689204452.db2.gz GEVIYCPLDJRVAK-ADXGEFSYSA-N 1 3 315.461 2.376 20 0 DEADHO CC(C)=CCN1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033143683 689402599 /nfs/dbraw/zinc/40/25/99/689402599.db2.gz JQKXHCZXPAIZIX-ZWKOTPCHSA-N 1 3 321.509 2.463 20 0 DEADHO CC(C)=CCN1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033143683 689402601 /nfs/dbraw/zinc/40/26/01/689402601.db2.gz JQKXHCZXPAIZIX-ZWKOTPCHSA-N 1 3 321.509 2.463 20 0 DEADHO C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CC2CC2)C1)N1CCCCCC1 ZINC001033466393 689511253 /nfs/dbraw/zinc/51/12/53/689511253.db2.gz FEDKKCIAEGNVDG-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCCCCC1 ZINC001033466393 689511256 /nfs/dbraw/zinc/51/12/56/689511256.db2.gz FEDKKCIAEGNVDG-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001033588039 689552624 /nfs/dbraw/zinc/55/26/24/689552624.db2.gz JEORJSWIVWVYAG-AWEZNQCLSA-N 1 3 306.454 2.266 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001033588039 689552627 /nfs/dbraw/zinc/55/26/27/689552627.db2.gz JEORJSWIVWVYAG-AWEZNQCLSA-N 1 3 306.454 2.266 20 0 DEADHO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CCN(CC2CCCCC2)CC1 ZINC000876718763 689914042 /nfs/dbraw/zinc/91/40/42/689914042.db2.gz SZYCZZQABYWPBX-IJDCCNJMSA-N 1 3 319.493 2.267 20 0 DEADHO CN(C)c1ccc(F)cc1CN1CCC(OCC[NH+](C)C)CC1 ZINC000876721771 689915188 /nfs/dbraw/zinc/91/51/88/689915188.db2.gz SCVGLIDNNKYUGQ-UHFFFAOYSA-N 1 3 323.456 2.434 20 0 DEADHO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000876723446 689915420 /nfs/dbraw/zinc/91/54/20/689915420.db2.gz AKRIPRPOZGPZPK-YESZJQIVSA-N 1 3 315.461 2.313 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)/C=C/[C@H]2CCC[NH2+]C2)CC1 ZINC000876732835 689919977 /nfs/dbraw/zinc/91/99/77/689919977.db2.gz HOZHFAFHMFCHRX-FYCOFBDGSA-N 1 3 307.482 2.123 20 0 DEADHO CC1CC(C[NH2+][C@H]2CC[C@H](NC(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001034734106 689936287 /nfs/dbraw/zinc/93/62/87/689936287.db2.gz KWQMOQCQRGBOMB-QEFFHFBBSA-N 1 3 321.509 2.391 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CC(C)C2)CC1 ZINC001034786074 689947690 /nfs/dbraw/zinc/94/76/90/689947690.db2.gz IXFVXPPDQRPMIV-HCPPMPIYSA-N 1 3 318.465 2.324 20 0 DEADHO ClC1(Cl)C[C@H]1CNCC1([NH+]2CCCC2)CCOCC1 ZINC000877019549 689998830 /nfs/dbraw/zinc/99/88/30/689998830.db2.gz ZJYIIXMQEUKPGH-LBPRGKRZSA-N 1 3 307.265 2.415 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccsc1)C1CC1 ZINC001034959913 689999636 /nfs/dbraw/zinc/99/96/36/689999636.db2.gz ISZHTMLOUMRIRI-HZPDHXFCSA-N 1 3 321.490 2.169 20 0 DEADHO CC[NH2+][C@@H](C)C(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21 ZINC000877031595 690002142 /nfs/dbraw/zinc/00/21/42/690002142.db2.gz YUXFIWFJAYKGPC-YSVLISHTSA-N 1 3 301.434 2.127 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)N2CCCCC[C@@H]([NH3+])C2)cc(Cl)n1 ZINC000877126574 690024475 /nfs/dbraw/zinc/02/44/75/690024475.db2.gz OCGBXOMEUUTXFY-KGLIPLIRSA-N 1 3 324.856 2.163 20 0 DEADHO CC[NH2+]CC(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000877130558 690025982 /nfs/dbraw/zinc/02/59/82/690025982.db2.gz MPHSAYIYQLUAFS-CYBMUJFWSA-N 1 3 317.355 2.034 20 0 DEADHO CC1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CC2CCC2)CC1 ZINC001035086170 690028578 /nfs/dbraw/zinc/02/85/78/690028578.db2.gz OYPFDSGZDAAZNU-QGZVFWFLSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)N(C)C)CC2 ZINC001035194104 690056559 /nfs/dbraw/zinc/05/65/59/690056559.db2.gz UUDGDLFEUNBKJH-QGZVFWFLSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)N(C)C)CC2 ZINC001035194104 690056561 /nfs/dbraw/zinc/05/65/61/690056561.db2.gz UUDGDLFEUNBKJH-QGZVFWFLSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]2Cc3ccccc3CN2)cc1 ZINC000877341609 690081286 /nfs/dbraw/zinc/08/12/86/690081286.db2.gz UZSBELVSQBMOBP-SCLBCKFNSA-N 1 3 309.413 2.151 20 0 DEADHO Cc1cc(C)cc(CC[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000877500040 690132810 /nfs/dbraw/zinc/13/28/10/690132810.db2.gz XQDXRGHXJJHJCD-UHFFFAOYSA-N 1 3 303.494 2.462 20 0 DEADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2 ZINC001035787969 690176530 /nfs/dbraw/zinc/17/65/30/690176530.db2.gz WXIJBJRUUCQEMY-QGZVFWFLSA-N 1 3 321.509 2.463 20 0 DEADHO CC[C@@H](C(=O)N1CCC2(C[NH+](CC3CC(C)C3)C2)CC1)N(C)C ZINC001035796556 690179167 /nfs/dbraw/zinc/17/91/67/690179167.db2.gz JJRAKWQRZPMCME-JCYILVPMSA-N 1 3 321.509 2.297 20 0 DEADHO CN(C)c1ccc(CN2CCC3(CC2)CC[NH+](C)CC3)cn1 ZINC000877683974 690190570 /nfs/dbraw/zinc/19/05/70/690190570.db2.gz FEXVSQUBIPLGJJ-UHFFFAOYSA-N 1 3 302.466 2.455 20 0 DEADHO COC(=O)c1coc(CNC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000877699254 690195406 /nfs/dbraw/zinc/19/54/06/690195406.db2.gz DBTJKICLENLQDY-UHFFFAOYSA-N 1 3 315.373 2.220 20 0 DEADHO CC(C)[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001036453080 690353551 /nfs/dbraw/zinc/35/35/51/690353551.db2.gz UZIHJYRPRNSDLJ-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](C(=O)N1CCCCC1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248783 690602523 /nfs/dbraw/zinc/60/25/23/690602523.db2.gz UFJAEMBTMSPJLR-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)N1CCN(CCC[NH2+]C(C)(C)[C@H]2CCCCO2)CC1 ZINC000879407069 690635652 /nfs/dbraw/zinc/63/56/52/690635652.db2.gz VMSINWQFSRBBCT-QGZVFWFLSA-N 1 3 311.514 2.340 20 0 DEADHO CCCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038246064 690755547 /nfs/dbraw/zinc/75/55/47/690755547.db2.gz BMJCITRMVLIEQB-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038246064 690755552 /nfs/dbraw/zinc/75/55/52/690755552.db2.gz BMJCITRMVLIEQB-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO O=C(NC[C@@H]1CCN1CC1CC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038247162 690755837 /nfs/dbraw/zinc/75/58/37/690755837.db2.gz HFPNCCQYONIFDW-AEFFLSMTSA-N 1 3 319.493 2.242 20 0 DEADHO O=C(NC[C@@H]1CCN1CC1CC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038247162 690755839 /nfs/dbraw/zinc/75/58/39/690755839.db2.gz HFPNCCQYONIFDW-AEFFLSMTSA-N 1 3 319.493 2.242 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001038327857 690783148 /nfs/dbraw/zinc/78/31/48/690783148.db2.gz KIEJLZWYIWEOQC-IRXDYDNUSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001038327857 690783151 /nfs/dbraw/zinc/78/31/51/690783151.db2.gz KIEJLZWYIWEOQC-IRXDYDNUSA-N 1 3 321.509 2.488 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCN2CC2CCC2)C1 ZINC001038623244 690879509 /nfs/dbraw/zinc/87/95/09/690879509.db2.gz KANJXTKBBXJEOZ-SJORKVTESA-N 1 3 307.482 2.099 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCN2CC2CCC2)C1 ZINC001038623244 690879511 /nfs/dbraw/zinc/87/95/11/690879511.db2.gz KANJXTKBBXJEOZ-SJORKVTESA-N 1 3 307.482 2.099 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN2CCCC2CCCC2)C1 ZINC001039025524 690996446 /nfs/dbraw/zinc/99/64/46/690996446.db2.gz AAVPREGMNSQIBQ-SJORKVTESA-N 1 3 307.482 2.099 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN2CCCC2CCCC2)C1 ZINC001039025524 690996448 /nfs/dbraw/zinc/99/64/48/690996448.db2.gz AAVPREGMNSQIBQ-SJORKVTESA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001039111756 691022772 /nfs/dbraw/zinc/02/27/72/691022772.db2.gz ADYTUVQRNPNKQJ-ROUUACIJSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001039111756 691022774 /nfs/dbraw/zinc/02/27/74/691022774.db2.gz ADYTUVQRNPNKQJ-ROUUACIJSA-N 1 3 321.509 2.297 20 0 DEADHO CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039214095 691057173 /nfs/dbraw/zinc/05/71/73/691057173.db2.gz NJWFGHQDOOAESP-WBVHZDCISA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039214095 691057175 /nfs/dbraw/zinc/05/71/75/691057175.db2.gz NJWFGHQDOOAESP-WBVHZDCISA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)N1CCCC1 ZINC001039415612 691101367 /nfs/dbraw/zinc/10/13/67/691101367.db2.gz MLCAEGLLUXPGEK-CVEARBPZSA-N 1 3 307.482 2.336 20 0 DEADHO CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)N1CCCC1 ZINC001039415612 691101365 /nfs/dbraw/zinc/10/13/65/691101365.db2.gz MLCAEGLLUXPGEK-CVEARBPZSA-N 1 3 307.482 2.336 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001040239891 691218663 /nfs/dbraw/zinc/21/86/63/691218663.db2.gz ALFRQZJPJVVEIB-HKUYNNGSSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001040239891 691218668 /nfs/dbraw/zinc/21/86/68/691218668.db2.gz ALFRQZJPJVVEIB-HKUYNNGSSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CCCF)C2)N(C)C ZINC001040400349 691243407 /nfs/dbraw/zinc/24/34/07/691243407.db2.gz SOUBUAKAPUBTHQ-DOTOQJQBSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCCF)C2)N(C)C ZINC001040400349 691243411 /nfs/dbraw/zinc/24/34/11/691243411.db2.gz SOUBUAKAPUBTHQ-DOTOQJQBSA-N 1 3 313.461 2.001 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001041358162 691366644 /nfs/dbraw/zinc/36/66/44/691366644.db2.gz LPZQOHYGWOOIHB-IEBWSBKVSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001041358162 691366646 /nfs/dbraw/zinc/36/66/46/691366646.db2.gz LPZQOHYGWOOIHB-IEBWSBKVSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041363909 691368317 /nfs/dbraw/zinc/36/83/17/691368317.db2.gz XHGQWEGCGHLPCE-LJQANCHMSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041363909 691368319 /nfs/dbraw/zinc/36/83/19/691368319.db2.gz XHGQWEGCGHLPCE-LJQANCHMSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001041679792 691409282 /nfs/dbraw/zinc/40/92/82/691409282.db2.gz NZNZQAFNGBYIPQ-IEBWSBKVSA-N 1 3 319.493 2.219 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001041679792 691409285 /nfs/dbraw/zinc/40/92/85/691409285.db2.gz NZNZQAFNGBYIPQ-IEBWSBKVSA-N 1 3 319.493 2.219 20 0 DEADHO CCCC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001041679826 691409602 /nfs/dbraw/zinc/40/96/02/691409602.db2.gz OKRYEBXIOZPYDC-WMZOPIPTSA-N 1 3 307.482 2.053 20 0 DEADHO CCCC[N@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001041679826 691409605 /nfs/dbraw/zinc/40/96/05/691409605.db2.gz OKRYEBXIOZPYDC-WMZOPIPTSA-N 1 3 307.482 2.053 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CC3CCC3)C2)C1)N(C)C ZINC001041684158 691410330 /nfs/dbraw/zinc/41/03/30/691410330.db2.gz AXBUYIPVUYYYMC-FUHWJXTLSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1)N(C)C ZINC001041684158 691410332 /nfs/dbraw/zinc/41/03/32/691410332.db2.gz AXBUYIPVUYYYMC-FUHWJXTLSA-N 1 3 307.482 2.051 20 0 DEADHO CN(C[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000883423887 691505044 /nfs/dbraw/zinc/50/50/44/691505044.db2.gz XVSVGSJGXGDYME-OKZBNKHCSA-N 1 3 305.441 2.283 20 0 DEADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C[C@H]1CCC2(CCOCC2)CO1 ZINC000883424106 691505198 /nfs/dbraw/zinc/50/51/98/691505198.db2.gz GFHKXAUDDFEXPO-NPYXIHBLSA-N 1 3 308.466 2.306 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[NH2+]CC1(C)C)c1ccsc1 ZINC000884188889 691677676 /nfs/dbraw/zinc/67/76/76/691677676.db2.gz RLSZCKRXJBEXPZ-LSDHHAIUSA-N 1 3 323.506 2.493 20 0 DEADHO CC[C@@H](C)C[NH+]1CC(N(C)C(=O)c2ccn3cncc3c2)C1 ZINC001043232573 691690559 /nfs/dbraw/zinc/69/05/59/691690559.db2.gz LNJFRAHKUMZBCX-CYBMUJFWSA-N 1 3 300.406 2.137 20 0 DEADHO CC(C)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H](C)C1 ZINC001044795024 691888462 /nfs/dbraw/zinc/88/84/62/691888462.db2.gz ZCYBTHBOLWYSEN-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001045090177 691936551 /nfs/dbraw/zinc/93/65/51/691936551.db2.gz XLPUFVNEJHCJNT-DLBZAZTESA-N 1 3 321.440 2.247 20 0 DEADHO CC1(C)CCN(CC(=O)N2CCC[C@H]2C[NH2+]CC2CCCC2)C1 ZINC001045202836 691951174 /nfs/dbraw/zinc/95/11/74/691951174.db2.gz YMDKLUISWZWZDF-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC ZINC001045789866 692028213 /nfs/dbraw/zinc/02/82/13/692028213.db2.gz WWIBEENSPJUVFY-IXDOHACOSA-N 1 3 307.482 2.336 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC ZINC001045789866 692028215 /nfs/dbraw/zinc/02/82/15/692028215.db2.gz WWIBEENSPJUVFY-IXDOHACOSA-N 1 3 307.482 2.336 20 0 DEADHO CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045942882 692058925 /nfs/dbraw/zinc/05/89/25/692058925.db2.gz BXHZRKLQQWCTOD-PKOBYXMFSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045942882 692058928 /nfs/dbraw/zinc/05/89/28/692058928.db2.gz BXHZRKLQQWCTOD-PKOBYXMFSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001045966929 692064408 /nfs/dbraw/zinc/06/44/08/692064408.db2.gz JSUVXNMBISPNSR-SJLPKXTDSA-N 1 3 307.482 2.195 20 0 DEADHO CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001045966929 692064409 /nfs/dbraw/zinc/06/44/09/692064409.db2.gz JSUVXNMBISPNSR-SJLPKXTDSA-N 1 3 307.482 2.195 20 0 DEADHO CCCN1CCC([NH2+][C@H](C)c2cncc(C(=O)OC)c2)CC1 ZINC000886493546 692093214 /nfs/dbraw/zinc/09/32/14/692093214.db2.gz PWNROIMNIQPCLP-CYBMUJFWSA-N 1 3 305.422 2.393 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000886541397 692104698 /nfs/dbraw/zinc/10/46/98/692104698.db2.gz VRSWONKYAONJGU-DNVCBOLYSA-N 1 3 315.461 2.280 20 0 DEADHO CC(C)[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1cnn(C)c1 ZINC000886600889 692128384 /nfs/dbraw/zinc/12/83/84/692128384.db2.gz DSSYNYQAGNCACB-NVXWUHKLSA-N 1 3 308.470 2.208 20 0 DEADHO CC(C)[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cnn(C)c1 ZINC000886600889 692128389 /nfs/dbraw/zinc/12/83/89/692128389.db2.gz DSSYNYQAGNCACB-NVXWUHKLSA-N 1 3 308.470 2.208 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CCN(CC=C(C)C)C2)CC[N@@H+]1C ZINC001046330998 692155269 /nfs/dbraw/zinc/15/52/69/692155269.db2.gz ZBZCOKHDKYOWLH-JZXOWHBKSA-N 1 3 307.482 2.264 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CCN(CC=C(C)C)C2)CC[N@H+]1C ZINC001046330998 692155270 /nfs/dbraw/zinc/15/52/70/692155270.db2.gz ZBZCOKHDKYOWLH-JZXOWHBKSA-N 1 3 307.482 2.264 20 0 DEADHO COCCSCCCN1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134183 692288516 /nfs/dbraw/zinc/28/85/16/692288516.db2.gz DYRQMNHHASHZCL-HNNXBMFYSA-N 1 3 309.479 2.362 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC(C)C)C2 ZINC001047189815 692389558 /nfs/dbraw/zinc/38/95/58/692389558.db2.gz DHHXBQMCGWPRHA-XHSDSOJGSA-N 1 3 318.465 2.276 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC(C)C)C2 ZINC001047189815 692389563 /nfs/dbraw/zinc/38/95/63/692389563.db2.gz DHHXBQMCGWPRHA-XHSDSOJGSA-N 1 3 318.465 2.276 20 0 DEADHO C[C@@H]([NH2+]CC1CCC1)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047865121 692503401 /nfs/dbraw/zinc/50/34/01/692503401.db2.gz QEZYIKQPONTYSK-GDBMZVCRSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]([NH2+]Cc1ccsc1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047986816 692528216 /nfs/dbraw/zinc/52/82/16/692528216.db2.gz FSSCGGRUUCSQGS-TZMCWYRMSA-N 1 3 318.446 2.041 20 0 DEADHO C[C@H]([NH2+]CC1CCC1)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001048005119 692531445 /nfs/dbraw/zinc/53/14/45/692531445.db2.gz ABLFBBOGEZQCJC-FUHWJXTLSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H]([NH2+]Cc1ccccc1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048056845 692539531 /nfs/dbraw/zinc/53/95/31/692539531.db2.gz BIDOYGUAHMCJTM-FUHWJXTLSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@@H]([NH2+]Cc1ccccc1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048056844 692539587 /nfs/dbraw/zinc/53/95/87/692539587.db2.gz BIDOYGUAHMCJTM-AEFFLSMTSA-N 1 3 315.461 2.109 20 0 DEADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@@H]2C1)C1CCC1 ZINC001048864060 692712771 /nfs/dbraw/zinc/71/27/71/692712771.db2.gz BNBFLCOSTYIZNS-IYBDPMFKSA-N 1 3 321.509 2.297 20 0 DEADHO CN(CC(=O)N1C[C@@H]2C[N@H+](CCC(C)(C)C)C[C@@H]2C1)C1CCC1 ZINC001048864060 692712772 /nfs/dbraw/zinc/71/27/72/692712772.db2.gz BNBFLCOSTYIZNS-IYBDPMFKSA-N 1 3 321.509 2.297 20 0 DEADHO CCC(CC)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@H]2C1 ZINC001048888126 692717106 /nfs/dbraw/zinc/71/71/06/692717106.db2.gz IGFMFXQDRONXDY-IXDOHACOSA-N 1 3 309.498 2.153 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@H]2C1 ZINC001048888126 692717108 /nfs/dbraw/zinc/71/71/08/692717108.db2.gz IGFMFXQDRONXDY-IXDOHACOSA-N 1 3 309.498 2.153 20 0 DEADHO COC(=O)[C@H]1[C@@H](CN2CCC(CCC[NH+](C)C)CC2)C1(F)F ZINC000894057499 692974932 /nfs/dbraw/zinc/97/49/32/692974932.db2.gz KXLTWDQFQBXIBP-ZIAGYGMSSA-N 1 3 318.408 2.095 20 0 DEADHO CC(C)CCN1CCC([NH2+]CC(C)(C)N2CCOCC2)CC1 ZINC000924556771 693151913 /nfs/dbraw/zinc/15/19/13/693151913.db2.gz YTWCEDAAQGUHGK-UHFFFAOYSA-N 1 3 311.514 2.197 20 0 DEADHO CC(C)CC[NH+]1CCC(NCC(C)(C)N2CCOCC2)CC1 ZINC000924556771 693151917 /nfs/dbraw/zinc/15/19/17/693151917.db2.gz YTWCEDAAQGUHGK-UHFFFAOYSA-N 1 3 311.514 2.197 20 0 DEADHO C[C@H](CC[NH2+][C@@H]1C(=O)NCC1(C)C)N(C)Cc1ccccc1 ZINC000925208826 693241434 /nfs/dbraw/zinc/24/14/34/693241434.db2.gz RMQUUVJCAFOXEJ-GDBMZVCRSA-N 1 3 303.450 2.011 20 0 DEADHO CC(C)[NH+]1CCC2(CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C2)CC1 ZINC001050766191 693246946 /nfs/dbraw/zinc/24/69/46/693246946.db2.gz KVLQZMAZWJPARA-HOTGVXAUSA-N 1 3 307.482 2.192 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CCN1C ZINC000925339219 693259434 /nfs/dbraw/zinc/25/94/34/693259434.db2.gz STJNJPRBLCJXEE-HZPDHXFCSA-N 1 3 324.513 2.423 20 0 DEADHO COc1cccc(N2CC[C@H](N[C@H]3C[C@H]([NH3+])C34CCC4)C2)c1 ZINC000925477031 693278760 /nfs/dbraw/zinc/27/87/60/693278760.db2.gz KTFXHRVDHWEHQV-JQFCIGGWSA-N 1 3 301.434 2.133 20 0 DEADHO CN(CCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)CC(F)(F)F ZINC000925479973 693279325 /nfs/dbraw/zinc/27/93/25/693279325.db2.gz TWVLYHRTRVCAQW-UONOGXRCSA-N 1 3 307.404 2.238 20 0 DEADHO O=C1CCCCN1CCC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925549461 693295031 /nfs/dbraw/zinc/29/50/31/693295031.db2.gz LITSKJCHUWSZRP-DLBZAZTESA-N 1 3 307.482 2.147 20 0 DEADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCCNC(=O)c1cccs1 ZINC000925595702 693305747 /nfs/dbraw/zinc/30/57/47/693305747.db2.gz ANHPIXJRRAUWHU-SNPRPXQTSA-N 1 3 321.490 2.234 20 0 DEADHO CC1(C)[C@H]([NH2+]C2CCN(c3nccs3)CC2)[C@@H]2CCCN[C@@H]21 ZINC000925656640 693319500 /nfs/dbraw/zinc/31/95/00/693319500.db2.gz ZANQKAGFTKIQFA-QLFBSQMISA-N 1 3 320.506 2.478 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@H]1NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000925673858 693323183 /nfs/dbraw/zinc/32/31/83/693323183.db2.gz ZFQOUWJZVAZUMH-SMDDNHRTSA-N 1 3 324.856 2.003 20 0 DEADHO CC[C@H]1COC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000926695241 693493986 /nfs/dbraw/zinc/49/39/86/693493986.db2.gz ZGFBEVHVMVBJFU-ROUUACIJSA-N 1 3 303.450 2.308 20 0 DEADHO CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001052954629 693655393 /nfs/dbraw/zinc/65/53/93/693655393.db2.gz PRWJBBZKOAMYGA-QGZVFWFLSA-N 1 3 303.450 2.352 20 0 DEADHO CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001052954629 693655394 /nfs/dbraw/zinc/65/53/94/693655394.db2.gz PRWJBBZKOAMYGA-QGZVFWFLSA-N 1 3 303.450 2.352 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053038300 693675556 /nfs/dbraw/zinc/67/55/56/693675556.db2.gz GSQZEJVHNVBVIZ-HZPDHXFCSA-N 1 3 318.465 2.313 20 0 DEADHO CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053038300 693675560 /nfs/dbraw/zinc/67/55/60/693675560.db2.gz GSQZEJVHNVBVIZ-HZPDHXFCSA-N 1 3 318.465 2.313 20 0 DEADHO CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053038301 693675637 /nfs/dbraw/zinc/67/56/37/693675637.db2.gz GSQZEJVHNVBVIZ-JKSUJKDBSA-N 1 3 318.465 2.313 20 0 DEADHO CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053038301 693675639 /nfs/dbraw/zinc/67/56/39/693675639.db2.gz GSQZEJVHNVBVIZ-JKSUJKDBSA-N 1 3 318.465 2.313 20 0 DEADHO Cc1ccc(F)c(CN[C@H](CNC(=O)CC[NH+](C)C)C2CC2)c1 ZINC001402335072 1162327075 /nfs/dbraw/zinc/32/70/75/1162327075.db2.gz FOZYQLQQHQMOTK-QGZVFWFLSA-N 1 3 321.440 2.070 20 0 DEADHO CC(C)CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001402393654 1162342843 /nfs/dbraw/zinc/34/28/43/1162342843.db2.gz JEGBDAFDOKRDAH-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC2CCCC2)C1 ZINC001402422625 1162351822 /nfs/dbraw/zinc/35/18/22/1162351822.db2.gz ZJVHLIYPYMLZAJ-RDJZCZTQSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](OCC[NH2+]C[C@@H](O)CN1CCCC1)c1ccccc1 ZINC001336003275 1150587828 /nfs/dbraw/zinc/58/78/28/1150587828.db2.gz OJMMSJYCWMFMBO-QZTJIDSGSA-N 1 3 306.450 2.201 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CC2CCCC2)CCC1 ZINC001402578812 1162399210 /nfs/dbraw/zinc/39/92/10/1162399210.db2.gz ZOVNQDJCPSTNAA-UHFFFAOYSA-N 1 3 304.438 2.079 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc(C)c2)C1)N(C)C ZINC001402598308 1162405446 /nfs/dbraw/zinc/40/54/46/1162405446.db2.gz WLOAUDDAOACOMW-QLFBSQMISA-N 1 3 309.479 2.134 20 0 DEADHO CC[C@H](C(=O)N(C)CCC[N@H+](C)Cc1cccc(F)c1)N(C)C ZINC001402641267 1162423447 /nfs/dbraw/zinc/42/34/47/1162423447.db2.gz GUJVGXWPVHPSCX-QGZVFWFLSA-N 1 3 323.456 2.446 20 0 DEADHO CC[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1cccc(F)c1)N(C)C ZINC001402641267 1162423448 /nfs/dbraw/zinc/42/34/48/1162423448.db2.gz GUJVGXWPVHPSCX-QGZVFWFLSA-N 1 3 323.456 2.446 20 0 DEADHO CCC1([NH2+]CC2CCC2)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001402714050 1162447990 /nfs/dbraw/zinc/44/79/90/1162447990.db2.gz LHQPGWMVXJFTAG-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO C[NH2+]CCOc1ccccc1C(=O)Nc1cccc2c1CNC2 ZINC001354658337 1151918320 /nfs/dbraw/zinc/91/83/20/1151918320.db2.gz FBASQLIGSPQVKX-UHFFFAOYSA-N 1 3 311.385 2.140 20 0 DEADHO CC1([NH2+]CCC(F)(F)F)CCN(C(=O)CN2CCCC2)CC1 ZINC001402781999 1162470482 /nfs/dbraw/zinc/47/04/82/1162470482.db2.gz OJGBRQFHPXIPKT-UHFFFAOYSA-N 1 3 321.387 2.005 20 0 DEADHO CN(CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC2CC2)C1)CC(C)(C)C ZINC001379671349 1152669777 /nfs/dbraw/zinc/66/97/77/1152669777.db2.gz BNSNNOQLXROGFQ-JKSUJKDBSA-N 1 3 309.498 2.249 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CC1CCC1 ZINC001379758646 1152690324 /nfs/dbraw/zinc/69/03/24/1152690324.db2.gz SXRAJTALGFWRLJ-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)CC1CCC1 ZINC001379758646 1152690329 /nfs/dbraw/zinc/69/03/29/1152690329.db2.gz SXRAJTALGFWRLJ-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001362145830 1152834535 /nfs/dbraw/zinc/83/45/35/1152834535.db2.gz DAVYEJMHKZQHTM-TWMKSMIVSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001362145830 1152834536 /nfs/dbraw/zinc/83/45/36/1152834536.db2.gz DAVYEJMHKZQHTM-TWMKSMIVSA-N 1 3 309.498 2.342 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](C[C@H](C)CC(C)C)C[C@@H]2C1)N(C)C ZINC001380701829 1152846794 /nfs/dbraw/zinc/84/67/94/1152846794.db2.gz CFMBEGQIXPDGLO-ZJPYXAASSA-N 1 3 323.525 2.399 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](C[C@H](C)CC(C)C)C[C@@H]2C1)N(C)C ZINC001380701829 1152846797 /nfs/dbraw/zinc/84/67/97/1152846797.db2.gz CFMBEGQIXPDGLO-ZJPYXAASSA-N 1 3 323.525 2.399 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001362324998 1152877793 /nfs/dbraw/zinc/87/77/93/1152877793.db2.gz HSDUYZZCCPBBSH-JSGCOSHPSA-N 1 3 304.438 2.030 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001362324998 1152877794 /nfs/dbraw/zinc/87/77/94/1152877794.db2.gz HSDUYZZCCPBBSH-JSGCOSHPSA-N 1 3 304.438 2.030 20 0 DEADHO C[C@H](CC[NH+](C)C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001362330616 1152879177 /nfs/dbraw/zinc/87/91/77/1152879177.db2.gz ZVAZZHGYRUVBPY-SOLBZPMBSA-N 1 3 317.477 2.211 20 0 DEADHO CC[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001381332146 1153006831 /nfs/dbraw/zinc/00/68/31/1153006831.db2.gz BUHPRISNKJTJRS-PREGVCBESA-N 1 3 321.440 2.150 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001402925624 1162544448 /nfs/dbraw/zinc/54/44/48/1162544448.db2.gz UTNGSSANLVBRRA-ZYHUDNBSSA-N 1 3 317.886 2.336 20 0 DEADHO CC1CC[NH+](CC[C@H]2CCCN2C[C@@H](O)C2(O)CCCC2)CC1 ZINC001363286863 1153313984 /nfs/dbraw/zinc/31/39/84/1153313984.db2.gz GPDVTAVNXAXCIL-QZTJIDSGSA-N 1 3 324.509 2.239 20 0 DEADHO CC1CCN(CC[C@H]2CCC[N@@H+]2C[C@@H](O)C2(O)CCCC2)CC1 ZINC001363286863 1153313992 /nfs/dbraw/zinc/31/39/92/1153313992.db2.gz GPDVTAVNXAXCIL-QZTJIDSGSA-N 1 3 324.509 2.239 20 0 DEADHO CC1CCN(CC[C@H]2CCC[N@H+]2C[C@@H](O)C2(O)CCCC2)CC1 ZINC001363286863 1153313997 /nfs/dbraw/zinc/31/39/97/1153313997.db2.gz GPDVTAVNXAXCIL-QZTJIDSGSA-N 1 3 324.509 2.239 20 0 DEADHO Cc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)CN2CC[C@@H](C)C2)c1 ZINC001382129722 1153370161 /nfs/dbraw/zinc/37/01/61/1153370161.db2.gz VURTVGNYPVJENU-SJORKVTESA-N 1 3 317.477 2.273 20 0 DEADHO CC[C@@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccc(C)c(F)c1 ZINC001363792972 1153631934 /nfs/dbraw/zinc/63/19/34/1153631934.db2.gz SOTWQCKYAZIXST-QGZVFWFLSA-N 1 3 321.440 2.385 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001388705080 1155072356 /nfs/dbraw/zinc/07/23/56/1155072356.db2.gz XRUCZVUPIZNFON-CALCHBBNSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CCN(CCF)CC(C)(C)C1)[NH+](C)C ZINC001388844086 1155134484 /nfs/dbraw/zinc/13/44/84/1155134484.db2.gz WXIKYEOVUYZWBW-HUUCEWRRSA-N 1 3 315.477 2.149 20 0 DEADHO O=C(CCC[NH+]1CCCCC1)N1CC[C@H](NC/C=C\Cl)C1 ZINC001389817062 1155441009 /nfs/dbraw/zinc/44/10/09/1155441009.db2.gz CREDXLQLMFGIOG-KKTNHOPESA-N 1 3 313.873 2.196 20 0 DEADHO CC[C@H](C(=O)NC1CCC([NH2+]C/C=C/Cl)CC1)N(C)C ZINC001390268124 1155616653 /nfs/dbraw/zinc/61/66/53/1155616653.db2.gz ZMMWDVZNFDVHIS-VMUKDSSQSA-N 1 3 301.862 2.096 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CC1CC(C)C1 ZINC001390384984 1155689634 /nfs/dbraw/zinc/68/96/34/1155689634.db2.gz PTNCSNPFIKZPAR-HWOWSKLDSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001390508238 1155772684 /nfs/dbraw/zinc/77/26/84/1155772684.db2.gz KWJXPZAEONFVLN-CJNGLKHVSA-N 1 3 309.429 2.006 20 0 DEADHO Cc1cccc(C)c1C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001371215644 1155792867 /nfs/dbraw/zinc/79/28/67/1155792867.db2.gz YVMZBHJMCXNPEM-WMZOPIPTSA-N 1 3 319.493 2.484 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[N@H+](C)CCCc2ccccc2)C1 ZINC001390813894 1155879866 /nfs/dbraw/zinc/87/98/66/1155879866.db2.gz CIMDZCPOUNKIDG-QGZVFWFLSA-N 1 3 317.477 2.009 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[N@@H+](C)CCCc2ccccc2)C1 ZINC001390813894 1155879869 /nfs/dbraw/zinc/87/98/69/1155879869.db2.gz CIMDZCPOUNKIDG-QGZVFWFLSA-N 1 3 317.477 2.009 20 0 DEADHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccsc1 ZINC001371836360 1156037622 /nfs/dbraw/zinc/03/76/22/1156037622.db2.gz NKONBBUIUJSGHV-KBPBESRZSA-N 1 3 309.479 2.074 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001391114615 1156131725 /nfs/dbraw/zinc/13/17/25/1156131725.db2.gz GVHLZOMHQFRAPL-CQSZACIVSA-N 1 3 309.479 2.026 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001391114615 1156131726 /nfs/dbraw/zinc/13/17/26/1156131726.db2.gz GVHLZOMHQFRAPL-CQSZACIVSA-N 1 3 309.479 2.026 20 0 DEADHO Cc1cccc(C[N@@H+](CCNC(=O)[C@@H]2CCCN2C)C2CC2)c1 ZINC001391155856 1156186905 /nfs/dbraw/zinc/18/69/05/1156186905.db2.gz PDRMUNNLIZZOLJ-SFHVURJKSA-N 1 3 315.461 2.170 20 0 DEADHO Cc1cccc(C[N@H+](CCNC(=O)[C@@H]2CCCN2C)C2CC2)c1 ZINC001391155856 1156186913 /nfs/dbraw/zinc/18/69/13/1156186913.db2.gz PDRMUNNLIZZOLJ-SFHVURJKSA-N 1 3 315.461 2.170 20 0 DEADHO C[NH+]1CCC(C(=O)NCCN(Cc2ccccc2)C2CC2)CC1 ZINC001391172648 1156214398 /nfs/dbraw/zinc/21/43/98/1156214398.db2.gz AGAYGEVTPKJROQ-UHFFFAOYSA-N 1 3 315.461 2.109 20 0 DEADHO CC(C)[NH2+][C@H](CNC(=O)CN1CC[C@H](C)C1)c1ccccc1 ZINC001391244947 1156281197 /nfs/dbraw/zinc/28/11/97/1156281197.db2.gz NDVNKAOXALPNIR-DOTOQJQBSA-N 1 3 303.450 2.184 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC(C)C)C1 ZINC001391364664 1156361090 /nfs/dbraw/zinc/36/10/90/1156361090.db2.gz YZWHRUUSBCXJNN-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC(C)C)C1 ZINC001391364664 1156361097 /nfs/dbraw/zinc/36/10/97/1156361097.db2.gz YZWHRUUSBCXJNN-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+](CCNC(=O)C1(N(C)C)CCC1)Cc1ccccc1C ZINC001372362116 1156375925 /nfs/dbraw/zinc/37/59/25/1156375925.db2.gz PCEGWLFBNRXSOC-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO CC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)Cc1ccccc1C ZINC001372362116 1156375931 /nfs/dbraw/zinc/37/59/31/1156375931.db2.gz PCEGWLFBNRXSOC-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO CN(CC(=O)NC[C@H]1CC[N@H+](Cc2ccsc2)C1)C1CCC1 ZINC001372627594 1156616466 /nfs/dbraw/zinc/61/64/66/1156616466.db2.gz OROYWCHPSDQRNI-CQSZACIVSA-N 1 3 321.490 2.171 20 0 DEADHO CN(CC(=O)NC[C@H]1CC[N@@H+](Cc2ccsc2)C1)C1CCC1 ZINC001372627594 1156616470 /nfs/dbraw/zinc/61/64/70/1156616470.db2.gz OROYWCHPSDQRNI-CQSZACIVSA-N 1 3 321.490 2.171 20 0 DEADHO CCC[N@H+](CCNC(=O)[C@@H]1CCCN1C)Cc1csc(C)c1 ZINC001372682915 1156678795 /nfs/dbraw/zinc/67/87/95/1156678795.db2.gz BTWIJYHUNNILOO-INIZCTEOSA-N 1 3 323.506 2.479 20 0 DEADHO CCC[N@@H+](CCNC(=O)[C@@H]1CCCN1C)Cc1csc(C)c1 ZINC001372682915 1156678805 /nfs/dbraw/zinc/67/88/05/1156678805.db2.gz BTWIJYHUNNILOO-INIZCTEOSA-N 1 3 323.506 2.479 20 0 DEADHO CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001372682266 1156679426 /nfs/dbraw/zinc/67/94/26/1156679426.db2.gz NURZNHWBXMTSGW-IRXDYDNUSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)C[C@H](C)C[N@H+]1CC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001372682266 1156679449 /nfs/dbraw/zinc/67/94/49/1156679449.db2.gz NURZNHWBXMTSGW-IRXDYDNUSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H](C)[N@H+](C)CC1CC(F)(F)C1)N(C)C ZINC001403171523 1162805800 /nfs/dbraw/zinc/80/58/00/1162805800.db2.gz RJNXEJYMHZFAAR-TZMCWYRMSA-N 1 3 319.440 2.054 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CC1CC(F)(F)C1)N(C)C ZINC001403171523 1162805803 /nfs/dbraw/zinc/80/58/03/1162805803.db2.gz RJNXEJYMHZFAAR-TZMCWYRMSA-N 1 3 319.440 2.054 20 0 DEADHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccccc1F ZINC001391720263 1156735375 /nfs/dbraw/zinc/73/53/75/1156735375.db2.gz MNFFIAVSNYSQOU-ZBFHGGJFSA-N 1 3 321.440 2.152 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]([NH2+]CC1CC1)c1ccccc1 ZINC001373043568 1156845417 /nfs/dbraw/zinc/84/54/17/1156845417.db2.gz IYCQSJRSHPBARG-QGZVFWFLSA-N 1 3 303.450 2.184 20 0 DEADHO C[C@H](F)CC[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCCC1 ZINC001392006766 1156848304 /nfs/dbraw/zinc/84/83/04/1156848304.db2.gz CTTNYEYSKBTGOW-AWEZNQCLSA-N 1 3 313.461 2.237 20 0 DEADHO CC(C)C[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001392181170 1156883061 /nfs/dbraw/zinc/88/30/61/1156883061.db2.gz JAHHIESXVKHTAO-HZPDHXFCSA-N 1 3 311.514 2.447 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001403243817 1162826177 /nfs/dbraw/zinc/82/61/77/1162826177.db2.gz JOVGNSAFCFWVTA-GJZGRUSLSA-N 1 3 315.477 2.151 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[N@H+](C)CC1CCCC1 ZINC001392331777 1157026092 /nfs/dbraw/zinc/02/60/92/1157026092.db2.gz LFJDSHQBKCKVJJ-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[N@@H+](C)CC1CCCC1 ZINC001392331777 1157026101 /nfs/dbraw/zinc/02/61/01/1157026101.db2.gz LFJDSHQBKCKVJJ-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)[NH2+]CCc1ccc(CNC(=O)CN(C)C(C)C)cc1 ZINC001403267093 1162832500 /nfs/dbraw/zinc/83/25/00/1162832500.db2.gz GOIWGVXHCJCNHG-UHFFFAOYSA-N 1 3 305.466 2.184 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]C[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001392511063 1157083791 /nfs/dbraw/zinc/08/37/91/1157083791.db2.gz LLJSWQXWVJZBPZ-UKRRQHHQSA-N 1 3 321.440 2.070 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]C[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001392511062 1157084408 /nfs/dbraw/zinc/08/44/08/1157084408.db2.gz LLJSWQXWVJZBPZ-DZGCQCFKSA-N 1 3 321.440 2.070 20 0 DEADHO CC[C@H](C(=O)NCC1C[NH+]([C@@H](C)c2ccccc2)C1)N(C)C ZINC001373548742 1157091582 /nfs/dbraw/zinc/09/15/82/1157091582.db2.gz CHVBLGAJTNDPOW-WMLDXEAASA-N 1 3 303.450 2.136 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCc2ccccc2F)CC[N@@H+]1C ZINC001392563075 1157135704 /nfs/dbraw/zinc/13/57/04/1157135704.db2.gz LIALIHDXYRGZJZ-JLJPHGGASA-N 1 3 321.440 2.150 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCc2ccccc2F)CC[N@H+]1C ZINC001392563075 1157135731 /nfs/dbraw/zinc/13/57/31/1157135731.db2.gz LIALIHDXYRGZJZ-JLJPHGGASA-N 1 3 321.440 2.150 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCc2ccccc21)N(C)C ZINC001392573606 1157152330 /nfs/dbraw/zinc/15/23/30/1157152330.db2.gz GDIBCGNFBZLOEZ-IAOVAPTHSA-N 1 3 303.450 2.108 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C2CC2)cc1)N(C)C ZINC001392609492 1157205906 /nfs/dbraw/zinc/20/59/06/1157205906.db2.gz XUVYUCFDRBWXQE-KSSFIOAISA-N 1 3 317.477 2.499 20 0 DEADHO CC(C)C[C@H](C)C[NH+]1CC([C@@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001403341569 1162855985 /nfs/dbraw/zinc/85/59/85/1162855985.db2.gz CKNYFCYUZARNNO-JKSUJKDBSA-N 1 3 311.514 2.445 20 0 DEADHO CCC[N@@H+]1C[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C(C)(C)C1 ZINC001403363160 1162863316 /nfs/dbraw/zinc/86/33/16/1162863316.db2.gz RJXXMTJZRADRAB-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CCC[N@H+]1C[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C(C)(C)C1 ZINC001403363160 1162863317 /nfs/dbraw/zinc/86/33/17/1162863317.db2.gz RJXXMTJZRADRAB-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CCN1CCC1CC1)[NH+]1CCCC1 ZINC001392880321 1157505126 /nfs/dbraw/zinc/50/51/26/1157505126.db2.gz SFMNHQBIBXEWAJ-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO Cc1cc(C)cc(C[NH2+]C[C@H](C)CNC(=O)CN(C)C(C)C)c1 ZINC001374111675 1157633338 /nfs/dbraw/zinc/63/33/38/1157633338.db2.gz FEXFQTPGNBURAQ-KRWDZBQOSA-N 1 3 319.493 2.486 20 0 DEADHO CC(C)C[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1CCCC1 ZINC001393081451 1157661634 /nfs/dbraw/zinc/66/16/34/1157661634.db2.gz GSKCWAYKWFWARF-DLBZAZTESA-N 1 3 311.514 2.493 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1([NH2+]CC[C@@H](C)F)CCCC1)N(C)C ZINC001374178419 1157693522 /nfs/dbraw/zinc/69/35/22/1157693522.db2.gz XHFKFFFPFHYTQU-CABCVRRESA-N 1 3 315.477 2.339 20 0 DEADHO CN(CCCN(C)C(=O)C1CC[NH+](C)CC1)Cc1ccsc1 ZINC001393632251 1157889778 /nfs/dbraw/zinc/88/97/78/1157889778.db2.gz UAXVEKXTPSXFBI-UHFFFAOYSA-N 1 3 323.506 2.370 20 0 DEADHO CN(CCC[N@H+](C)CC1CC(C)(C)C1)C(=O)CN1CCCC1 ZINC001393643984 1157893377 /nfs/dbraw/zinc/89/33/77/1157893377.db2.gz KGEPTKOORYJMIK-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CN(CCC[N@@H+](C)CC1CC(C)(C)C1)C(=O)CN1CCCC1 ZINC001393643984 1157893378 /nfs/dbraw/zinc/89/33/78/1157893378.db2.gz KGEPTKOORYJMIK-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001393698395 1157911247 /nfs/dbraw/zinc/91/12/47/1157911247.db2.gz TZGFIKCYDTWIRJ-SFHVURJKSA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001393698395 1157911261 /nfs/dbraw/zinc/91/12/61/1157911261.db2.gz TZGFIKCYDTWIRJ-SFHVURJKSA-N 1 3 309.498 2.441 20 0 DEADHO C[NH+](C)CCCC(=O)NCc1ccc2c(c1)CN(CC1CC1)C2 ZINC001393721904 1157928572 /nfs/dbraw/zinc/92/85/72/1157928572.db2.gz LMHPFLQIAUOQNV-UHFFFAOYSA-N 1 3 315.461 2.370 20 0 DEADHO CC[C@H](C)C[NH2+]C1(C)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001393740673 1157943156 /nfs/dbraw/zinc/94/31/56/1157943156.db2.gz YIIHBMDSKYPFBN-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C1C[NH+](CCc2cccs2)C1)N(C)C ZINC001394233126 1158386523 /nfs/dbraw/zinc/38/65/23/1158386523.db2.gz XKOJNCPDZLKTGJ-CZUORRHYSA-N 1 3 323.506 2.067 20 0 DEADHO CN(C)C1(C(=O)N[C@H](C[NH2+]CC2CC(C)(C)C2)C2CC2)CCC1 ZINC001375227657 1158391904 /nfs/dbraw/zinc/39/19/04/1158391904.db2.gz FDWGHJHDEYQKHY-MRXNPFEDSA-N 1 3 321.509 2.391 20 0 DEADHO C[C@H](NC1(CNC(=O)CC[NH+](C)C)CC1)c1cccc(F)c1 ZINC001375465065 1158720605 /nfs/dbraw/zinc/72/06/05/1158720605.db2.gz KJRNNFKNUJVPPF-ZDUSSCGKSA-N 1 3 307.413 2.077 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]C/C=C\Cl)C1)N(C)C ZINC001375572588 1158817403 /nfs/dbraw/zinc/81/74/03/1158817403.db2.gz JJVHCQCFLRQREU-FOEYIZGNSA-N 1 3 315.889 2.200 20 0 DEADHO O=C(CCC[NH+]1CCCC1)N1CCCCC[C@H](NCCF)C1 ZINC001375653068 1158838697 /nfs/dbraw/zinc/83/86/97/1158838697.db2.gz STHRMWJLOXWPOC-INIZCTEOSA-N 1 3 313.461 2.193 20 0 DEADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(C)c1)N(C)C ZINC001403587251 1163024215 /nfs/dbraw/zinc/02/42/15/1163024215.db2.gz HGMTZEVGRSHXDD-WBVHZDCISA-N 1 3 305.466 2.272 20 0 DEADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001376428400 1159409364 /nfs/dbraw/zinc/40/93/64/1159409364.db2.gz MGZCVIYNHGDMNN-ALOPSCKCSA-N 1 3 307.482 2.240 20 0 DEADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001376428400 1159409385 /nfs/dbraw/zinc/40/93/85/1159409385.db2.gz MGZCVIYNHGDMNN-ALOPSCKCSA-N 1 3 307.482 2.240 20 0 DEADHO CC[C@@H](F)C[NH2+][C@@H](C)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001403598750 1163036850 /nfs/dbraw/zinc/03/68/50/1163036850.db2.gz VJUVNUYISBVGDP-UONOGXRCSA-N 1 3 303.466 2.149 20 0 DEADHO CC[C@H](F)C[NH2+][C@H](C)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001403598749 1163036951 /nfs/dbraw/zinc/03/69/51/1163036951.db2.gz VJUVNUYISBVGDP-KGLIPLIRSA-N 1 3 303.466 2.149 20 0 DEADHO C[C@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]CC1CCCCC1 ZINC001403600361 1163038854 /nfs/dbraw/zinc/03/88/54/1163038854.db2.gz OJOSLYXSMFQJIY-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CN1CCC[C@@H]1C(=O)NCC[N@H+](C)Cc1ccc(C2CC2)cc1 ZINC001377204515 1160032978 /nfs/dbraw/zinc/03/29/78/1160032978.db2.gz BAQUSKZMIIFGIZ-GOSISDBHSA-N 1 3 315.461 2.206 20 0 DEADHO CN1CCC[C@@H]1C(=O)NCC[N@@H+](C)Cc1ccc(C2CC2)cc1 ZINC001377204515 1160032988 /nfs/dbraw/zinc/03/29/88/1160032988.db2.gz BAQUSKZMIIFGIZ-GOSISDBHSA-N 1 3 315.461 2.206 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[N@H+](C)CC2CCC(C)CC2)C1 ZINC001377225039 1160054007 /nfs/dbraw/zinc/05/40/07/1160054007.db2.gz SGEYNNKUYNEEOG-CGZBRXJRSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[N@@H+](C)CC2CCC(C)CC2)C1 ZINC001377225039 1160054017 /nfs/dbraw/zinc/05/40/17/1160054017.db2.gz SGEYNNKUYNEEOG-CGZBRXJRSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)[C@H]1C ZINC001397266129 1160095349 /nfs/dbraw/zinc/09/53/49/1160095349.db2.gz SBSOVWOGMPVVSL-IKGGRYGDSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)[C@H]1C ZINC001397266129 1160095356 /nfs/dbraw/zinc/09/53/56/1160095356.db2.gz SBSOVWOGMPVVSL-IKGGRYGDSA-N 1 3 309.498 2.342 20 0 DEADHO C[NH+](C)CC1(C(=O)NC[C@@H]2CCN(Cc3ccsc3)C2)CC1 ZINC001377452217 1160380900 /nfs/dbraw/zinc/38/09/00/1160380900.db2.gz LGMMLAADMRBAFZ-AWEZNQCLSA-N 1 3 321.490 2.028 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]CC=C(Cl)Cl)N(C)C ZINC001377511619 1160441255 /nfs/dbraw/zinc/44/12/55/1160441255.db2.gz FPGFFPRWFIGIRJ-WCQYABFASA-N 1 3 324.296 2.376 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)c1ccc(F)cc1)N(C)C ZINC001377587110 1160566917 /nfs/dbraw/zinc/56/69/17/1160566917.db2.gz CTICPKSQWSODSL-BBRMVZONSA-N 1 3 309.429 2.275 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@@H](C)[NH2+]CC2CCC2)CC1 ZINC001377606202 1160583180 /nfs/dbraw/zinc/58/31/80/1160583180.db2.gz IHRPTFKTUVVLGU-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CN(C)C(C)C ZINC001377624606 1160608348 /nfs/dbraw/zinc/60/83/48/1160608348.db2.gz DDVSJIIPWJMSDC-SJLPKXTDSA-N 1 3 303.450 2.107 20 0 DEADHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC001398297823 1160849338 /nfs/dbraw/zinc/84/93/38/1160849338.db2.gz IODNOWKEPYIIKP-ROUUACIJSA-N 1 3 315.461 2.252 20 0 DEADHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC001398297823 1160849342 /nfs/dbraw/zinc/84/93/42/1160849342.db2.gz IODNOWKEPYIIKP-ROUUACIJSA-N 1 3 315.461 2.252 20 0 DEADHO CC(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)CN(C)C(C)C)CC1 ZINC001398369828 1160867064 /nfs/dbraw/zinc/86/70/64/1160867064.db2.gz ZAJYAFXIGWCTDJ-INIZCTEOSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1C)C1CC1)N(C)C ZINC001398394032 1160875560 /nfs/dbraw/zinc/87/55/60/1160875560.db2.gz LQCUEWHUYQLIOE-QZTJIDSGSA-N 1 3 317.477 2.320 20 0 DEADHO C[N@H+](C/C=C\Cl)C[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001398468442 1160899928 /nfs/dbraw/zinc/89/99/28/1160899928.db2.gz VIRYYDNNZSUGEC-PKYBCLHXSA-N 1 3 313.873 2.005 20 0 DEADHO C[N@@H+](C/C=C\Cl)C[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001398468442 1160899929 /nfs/dbraw/zinc/89/99/29/1160899929.db2.gz VIRYYDNNZSUGEC-PKYBCLHXSA-N 1 3 313.873 2.005 20 0 DEADHO CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001398471023 1160905276 /nfs/dbraw/zinc/90/52/76/1160905276.db2.gz JEDFKMOWEQKALJ-SJORKVTESA-N 1 3 309.498 2.299 20 0 DEADHO C[C@H](F)CC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001398530095 1160949546 /nfs/dbraw/zinc/94/95/46/1160949546.db2.gz FVPCLYWVRXIPRP-YOEHRIQHSA-N 1 3 321.440 2.300 20 0 DEADHO C[C@@H](F)CC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001398530090 1160950003 /nfs/dbraw/zinc/95/00/03/1160950003.db2.gz FVPCLYWVRXIPRP-PBHICJAKSA-N 1 3 321.440 2.300 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001398571593 1160985713 /nfs/dbraw/zinc/98/57/13/1160985713.db2.gz GAHLDGMOSDJQHA-WKILWMFISA-N 1 3 323.868 2.417 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001378072738 1160988344 /nfs/dbraw/zinc/98/83/44/1160988344.db2.gz BWWDUUGZEUDPJA-KRWDZBQOSA-N 1 3 303.450 2.027 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001378072738 1160988354 /nfs/dbraw/zinc/98/83/54/1160988354.db2.gz BWWDUUGZEUDPJA-KRWDZBQOSA-N 1 3 303.450 2.027 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C)c2)C1)N(C)C ZINC001398617873 1161019915 /nfs/dbraw/zinc/01/99/15/1161019915.db2.gz WFLNAYNOESCNTI-IXDOHACOSA-N 1 3 303.450 2.072 20 0 DEADHO Cc1ccc(CN2CC[C@H](N(C)C(=O)CCC[NH+](C)C)C2)cc1 ZINC001378162119 1161067696 /nfs/dbraw/zinc/06/76/96/1161067696.db2.gz AOZPQPSYYFDJHP-SFHVURJKSA-N 1 3 317.477 2.370 20 0 DEADHO CN(CC(=O)NC[C@H]1CC[N@H+](CCCC2CCC2)C1)C1CCC1 ZINC001399911934 1161605436 /nfs/dbraw/zinc/60/54/36/1161605436.db2.gz LNYXTEWTQSTFEA-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CN(CC(=O)NC[C@H]1CC[N@@H+](CCCC2CCC2)C1)C1CCC1 ZINC001399911934 1161605438 /nfs/dbraw/zinc/60/54/38/1161605438.db2.gz LNYXTEWTQSTFEA-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@@H](C(=O)NCC1C[NH+](CCC2CCCCC2)C1)N(C)C ZINC001400533899 1161764061 /nfs/dbraw/zinc/76/40/61/1161764061.db2.gz VTZYBAJHYZBLPD-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC(CC[N@H+](C)CC2CCC2)CC1 ZINC001401310618 1161924820 /nfs/dbraw/zinc/92/48/20/1161924820.db2.gz QDARHJBBMDXVJS-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC(CC[N@@H+](C)CC2CCC2)CC1 ZINC001401310618 1161924823 /nfs/dbraw/zinc/92/48/23/1161924823.db2.gz QDARHJBBMDXVJS-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO Cc1cccc(C[N@@H+](C)CCN(C)C(=O)[C@H]2CCCCN2C)c1 ZINC001401377745 1161961129 /nfs/dbraw/zinc/96/11/29/1161961129.db2.gz NHXCULZCELNBAJ-GOSISDBHSA-N 1 3 317.477 2.370 20 0 DEADHO Cc1cccc(C[N@H+](C)CCN(C)C(=O)[C@H]2CCCCN2C)c1 ZINC001401377745 1161961134 /nfs/dbraw/zinc/96/11/34/1161961134.db2.gz NHXCULZCELNBAJ-GOSISDBHSA-N 1 3 317.477 2.370 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[N@H+](C)Cc1cccc(C)c1)N(C)C ZINC001401436304 1161993407 /nfs/dbraw/zinc/99/34/07/1161993407.db2.gz VHAKUVMVCVPVJH-KRWDZBQOSA-N 1 3 305.466 2.225 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)Cc1cccc(C)c1)N(C)C ZINC001401436304 1161993411 /nfs/dbraw/zinc/99/34/11/1161993411.db2.gz VHAKUVMVCVPVJH-KRWDZBQOSA-N 1 3 305.466 2.225 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccccc1F ZINC001401658724 1162063032 /nfs/dbraw/zinc/06/30/32/1162063032.db2.gz FORNMYVMQURKSA-KGLIPLIRSA-N 1 3 309.429 2.323 20 0 DEADHO CC1CC(C[NH2+]C2(CNC(=O)C(C)(C)N3CCCC3)CC2)C1 ZINC001401968334 1162201491 /nfs/dbraw/zinc/20/14/91/1162201491.db2.gz RDQXEKWEICDGLG-UHFFFAOYSA-N 1 3 307.482 2.145 20 0 DEADHO CC[C@H](F)CN1CCC2(CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001402009348 1162215263 /nfs/dbraw/zinc/21/52/63/1162215263.db2.gz XPPXSKVMWFAVTM-HNNXBMFYSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccccc2)C1)N(C)C ZINC001402167545 1162271939 /nfs/dbraw/zinc/27/19/39/1162271939.db2.gz RFIGQJGEHHWDSY-MJGOQNOKSA-N 1 3 317.477 2.355 20 0 DEADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCN(C)CCc1cccs1 ZINC001403784974 1163182242 /nfs/dbraw/zinc/18/22/42/1163182242.db2.gz LKTZDOACWHNLNQ-GJZGRUSLSA-N 1 3 323.506 2.211 20 0 DEADHO CC[C@H](F)CN1CCC([C@H](C)NC(=O)CCC[NH+](C)C)CC1 ZINC001403984732 1163352322 /nfs/dbraw/zinc/35/23/22/1163352322.db2.gz KDUWXWOWSQETHP-HOCLYGCPSA-N 1 3 315.477 2.293 20 0 DEADHO C[C@@H](NCCN(C)C(=O)C12CC[NH+](CC1)C2)c1ccccc1F ZINC001404490753 1163679834 /nfs/dbraw/zinc/67/98/34/1163679834.db2.gz YAABIPJIVIWPMG-CQSZACIVSA-N 1 3 319.424 2.031 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@@H]1CC[N@H+](CC2CCC2)C1)N(C)C ZINC001404513765 1163691349 /nfs/dbraw/zinc/69/13/49/1163691349.db2.gz KUUXAUOHXJOAPY-IAGOWNOFSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@@H]1CC[N@@H+](CC2CCC2)C1)N(C)C ZINC001404513765 1163691351 /nfs/dbraw/zinc/69/13/51/1163691351.db2.gz KUUXAUOHXJOAPY-IAGOWNOFSA-N 1 3 309.498 2.201 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C(C)C)cc1F ZINC001405895043 1164317887 /nfs/dbraw/zinc/31/78/87/1164317887.db2.gz AYKFEWKBPSORPU-OAHLLOKOSA-N 1 3 323.456 2.411 20 0 DEADHO Cc1ccc(C)c(C[NH2+]C[C@H](C)N(C)C(=O)CN2CCCC2)c1 ZINC001405894205 1164318142 /nfs/dbraw/zinc/31/81/42/1164318142.db2.gz QIQPTBNNVKVULU-KRWDZBQOSA-N 1 3 317.477 2.336 20 0 DEADHO C[C@@H]([NH2+]CCC1CC1)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001406012077 1164387067 /nfs/dbraw/zinc/38/70/67/1164387067.db2.gz XFPNZADSRVONIZ-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](C(=O)NC[C@H]([NH2+]Cc1ccccc1F)C(C)C)N(C)C ZINC001406067121 1164421045 /nfs/dbraw/zinc/42/10/45/1164421045.db2.gz OHOIFKMJPCSWRA-DLBZAZTESA-N 1 3 323.456 2.396 20 0 DEADHO CCc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](CC)N(C)C)cc1 ZINC001406386666 1164562017 /nfs/dbraw/zinc/56/20/17/1164562017.db2.gz WWAAQDFHHZWRKT-RHSMWYFYSA-N 1 3 305.466 2.184 20 0 DEADHO CCc1ccccc1C[NH2+]C[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001406403285 1164571077 /nfs/dbraw/zinc/57/10/77/1164571077.db2.gz VWNLLZQXJXWEJV-JKSUJKDBSA-N 1 3 317.477 2.185 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cc2ccccc2o1)N(C)C ZINC001406527916 1164657141 /nfs/dbraw/zinc/65/71/41/1164657141.db2.gz JMXAMAFUNUAQRW-BBRMVZONSA-N 1 3 317.433 2.367 20 0 DEADHO C[C@@H](CN(C)Cc1ccc(F)cc1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001406683010 1164788977 /nfs/dbraw/zinc/78/89/77/1164788977.db2.gz BCGDDUYVJHTPDN-GOEBONIOSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@@H](CN(C)Cc1ccc(F)cc1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001406683010 1164788985 /nfs/dbraw/zinc/78/89/85/1164788985.db2.gz BCGDDUYVJHTPDN-GOEBONIOSA-N 1 3 321.440 2.104 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@@H]1CCCN(CCC(F)(F)F)CC1 ZINC001407851867 1165345653 /nfs/dbraw/zinc/34/56/53/1165345653.db2.gz PCSVAPRWWPWWMT-CYBMUJFWSA-N 1 3 323.403 2.251 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC1CC1 ZINC001408301497 1165572957 /nfs/dbraw/zinc/57/29/57/1165572957.db2.gz CQXYEAGGXIHCGC-IEBWSBKVSA-N 1 3 315.461 2.108 20 0 DEADHO C[C@H](F)CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001408353352 1165608488 /nfs/dbraw/zinc/60/84/88/1165608488.db2.gz VOYSTOIPCXXNDJ-GJZGRUSLSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@H](F)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001408353352 1165608496 /nfs/dbraw/zinc/60/84/96/1165608496.db2.gz VOYSTOIPCXXNDJ-GJZGRUSLSA-N 1 3 313.461 2.142 20 0 DEADHO Cc1ccc(C)c(CNC2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC001414080738 1165705671 /nfs/dbraw/zinc/70/56/71/1165705671.db2.gz IXBMKMRZSVTOOU-UHFFFAOYSA-N 1 3 317.477 2.336 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)NCCN(C)Cc2ccccc2)C1 ZINC001417617137 1167087681 /nfs/dbraw/zinc/08/76/81/1167087681.db2.gz DGIYWEGXIFFTLT-GOSISDBHSA-N 1 3 317.477 2.355 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](C(=O)NCCN(C)Cc2ccccc2)C1 ZINC001417617137 1167087687 /nfs/dbraw/zinc/08/76/87/1167087687.db2.gz DGIYWEGXIFFTLT-GOSISDBHSA-N 1 3 317.477 2.355 20 0 DEADHO CC(C)CCC[N@@H+]1CC[C@H]1CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001417754544 1167188342 /nfs/dbraw/zinc/18/83/42/1167188342.db2.gz HJMHHCIHGWGKFQ-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CCC[N@H+]1CC[C@H]1CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001417754544 1167188349 /nfs/dbraw/zinc/18/83/49/1167188349.db2.gz HJMHHCIHGWGKFQ-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC(C)C)C1 ZINC001417763985 1167196398 /nfs/dbraw/zinc/19/63/98/1167196398.db2.gz JTROTDFSTRNDMW-BBWFWOEESA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@H](C)C[NH2+][C@H](CNC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001417991107 1167349704 /nfs/dbraw/zinc/34/97/04/1167349704.db2.gz JRTDEZPQOJAQLS-GOEBONIOSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)C[NH2+][C@@H](CNC(=O)[C@@H](C)N1CCCCCC1)C1CC1 ZINC001417996789 1167352689 /nfs/dbraw/zinc/35/26/89/1167352689.db2.gz DRYCANULQHYKBQ-WBVHZDCISA-N 1 3 309.498 2.391 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001418136022 1167433894 /nfs/dbraw/zinc/43/38/94/1167433894.db2.gz KLUHFCMECSKARZ-KRWDZBQOSA-N 1 3 309.498 2.347 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001418136022 1167433899 /nfs/dbraw/zinc/43/38/99/1167433899.db2.gz KLUHFCMECSKARZ-KRWDZBQOSA-N 1 3 309.498 2.347 20 0 DEADHO C[NH+](C)CCc1cccc(C(=O)NC[C@@H]2CCN2C(C)(C)C)c1 ZINC001418425882 1167646208 /nfs/dbraw/zinc/64/62/08/1167646208.db2.gz BOBSZSZTFPOILY-KRWDZBQOSA-N 1 3 317.477 2.393 20 0 DEADHO C[C@H](c1ccccc1)N(C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001418491589 1167706374 /nfs/dbraw/zinc/70/63/74/1167706374.db2.gz ATTBRISBGJBOJG-OAHLLOKOSA-N 1 3 303.450 2.137 20 0 DEADHO CCCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccc(F)cc1 ZINC001418727976 1167920126 /nfs/dbraw/zinc/92/01/26/1167920126.db2.gz CEQLRLKCKOBDQR-MRXNPFEDSA-N 1 3 321.440 2.106 20 0 DEADHO CCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccc(F)cc1 ZINC001418727976 1167920134 /nfs/dbraw/zinc/92/01/34/1167920134.db2.gz CEQLRLKCKOBDQR-MRXNPFEDSA-N 1 3 321.440 2.106 20 0 DEADHO C[C@@H](c1ccc(F)cc1)N(CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001418791029 1167963607 /nfs/dbraw/zinc/96/36/07/1167963607.db2.gz MFTNATONBPWMJK-AWEZNQCLSA-N 1 3 321.440 2.419 20 0 DEADHO CC(C)[NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)c1ccccc1 ZINC001418857059 1168015054 /nfs/dbraw/zinc/01/50/54/1168015054.db2.gz UEFJAZSXUUUOKF-INIZCTEOSA-N 1 3 303.450 2.326 20 0 DEADHO C[C@@H](C(=O)NCC1C[NH+](CC2CCC2)C1)N1CCCCCC1 ZINC001419031007 1168146188 /nfs/dbraw/zinc/14/61/88/1168146188.db2.gz GOVSSSLWJFUCRF-HNNXBMFYSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)N(C)CC(=O)NCc1ccc(C[NH2+]CC2CC2)cc1 ZINC001419390388 1168440513 /nfs/dbraw/zinc/44/05/13/1168440513.db2.gz JTPCHYGNEGDFKT-UHFFFAOYSA-N 1 3 303.450 2.143 20 0 DEADHO CC(C)C[NH+]1CCC(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001419418932 1168459901 /nfs/dbraw/zinc/45/99/01/1168459901.db2.gz VTAXKKOGSUATKI-QGZVFWFLSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCC(F)(F)F)[C@H](C)C1 ZINC001419831736 1168864881 /nfs/dbraw/zinc/86/48/81/1168864881.db2.gz WALHYKAORWYUKD-OLZOCXBDSA-N 1 3 323.403 2.106 20 0 DEADHO Cc1cc(C)cc(C[N@@H+](C)CCN(C)C(=O)[C@H]2CCCN2C)c1 ZINC001420001724 1169050898 /nfs/dbraw/zinc/05/08/98/1169050898.db2.gz ZGWWOCPASOYXTR-GOSISDBHSA-N 1 3 317.477 2.288 20 0 DEADHO Cc1cc(C)cc(C[N@H+](C)CCN(C)C(=O)[C@H]2CCCN2C)c1 ZINC001420001724 1169050906 /nfs/dbraw/zinc/05/09/06/1169050906.db2.gz ZGWWOCPASOYXTR-GOSISDBHSA-N 1 3 317.477 2.288 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CC2CCC2)CCC1 ZINC001420087087 1169152476 /nfs/dbraw/zinc/15/24/76/1169152476.db2.gz MADJWQGCAPJVPW-HOTGVXAUSA-N 1 3 307.482 2.145 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)NC(=O)CN2CC[C@H](C)C2)cc1C ZINC001420467517 1169607669 /nfs/dbraw/zinc/60/76/69/1169607669.db2.gz HVZSFFINNAOORV-YOEHRIQHSA-N 1 3 317.477 2.240 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC2CC2)C1 ZINC001421271963 1171658328 /nfs/dbraw/zinc/65/83/28/1171658328.db2.gz RQQJRXIEPRDILE-WMZOPIPTSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CC1CC(C)(C)C1 ZINC001421700296 1171911764 /nfs/dbraw/zinc/91/17/64/1171911764.db2.gz LCFJAEVLLXPFSD-CQSZACIVSA-N 1 3 309.498 2.249 20 0 DEADHO CCC[N@H+](C)CCC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001422039347 1172248369 /nfs/dbraw/zinc/24/83/69/1172248369.db2.gz HGGQXUOKHSFUFQ-INIZCTEOSA-N 1 3 309.498 2.299 20 0 DEADHO CCC[N@@H+](C)CCC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001422039347 1172248378 /nfs/dbraw/zinc/24/83/78/1172248378.db2.gz HGGQXUOKHSFUFQ-INIZCTEOSA-N 1 3 309.498 2.299 20 0 DEADHO C[N@@H+]1CC[C@@H]2CN(CCc3cccc4c3OC(F)(F)O4)C[C@@H]2C1 ZINC001422142349 1172338675 /nfs/dbraw/zinc/33/86/75/1172338675.db2.gz GZHDMQSUMMCOPI-KGLIPLIRSA-N 1 3 324.371 2.434 20 0 DEADHO C[N@H+]1CC[C@@H]2CN(CCc3cccc4c3OC(F)(F)O4)C[C@@H]2C1 ZINC001422142349 1172338682 /nfs/dbraw/zinc/33/86/82/1172338682.db2.gz GZHDMQSUMMCOPI-KGLIPLIRSA-N 1 3 324.371 2.434 20 0 DEADHO CC[C@H](C(=O)N(C)CC[N@H+](C)[C@H](C)c1ccccc1)N(C)C ZINC001422172851 1172370348 /nfs/dbraw/zinc/37/03/48/1172370348.db2.gz BAXCBCYNTBCUPH-NVXWUHKLSA-N 1 3 305.466 2.478 20 0 DEADHO CC[C@H](C(=O)N(C)CC[N@@H+](C)[C@H](C)c1ccccc1)N(C)C ZINC001422172851 1172370354 /nfs/dbraw/zinc/37/03/54/1172370354.db2.gz BAXCBCYNTBCUPH-NVXWUHKLSA-N 1 3 305.466 2.478 20 0 DEADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]CCc1cccs1 ZINC001422319131 1172486560 /nfs/dbraw/zinc/48/65/60/1172486560.db2.gz HFDUOERKNDDVGG-UONOGXRCSA-N 1 3 323.506 2.258 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCCC[C@H]2[C@@H]2CCCO2)CC1 ZINC001422442825 1172595331 /nfs/dbraw/zinc/59/53/31/1172595331.db2.gz GJNBXJRENVFNGF-OALUTQOASA-N 1 3 323.525 2.436 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCCC[C@H]2[C@@H]2CCCO2)CC1 ZINC001422442825 1172595339 /nfs/dbraw/zinc/59/53/39/1172595339.db2.gz GJNBXJRENVFNGF-OALUTQOASA-N 1 3 323.525 2.436 20 0 DEADHO Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001422518658 1172670675 /nfs/dbraw/zinc/67/06/75/1172670675.db2.gz BRVVKXLDMLJKSS-MRXNPFEDSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1ccc(C[N@H+](C)[C@H](C)CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001422518658 1172670677 /nfs/dbraw/zinc/67/06/77/1172670677.db2.gz BRVVKXLDMLJKSS-MRXNPFEDSA-N 1 3 317.477 2.416 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CN(CCCF)CC1(C)C)[NH+](CC)CC ZINC001422785744 1172861685 /nfs/dbraw/zinc/86/16/85/1172861685.db2.gz LHGCEPFCNJBOHH-LSDHHAIUSA-N 1 3 315.477 2.293 20 0 DEADHO COc1cc(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(OC)c1 ZINC001422974119 1172989238 /nfs/dbraw/zinc/98/92/38/1172989238.db2.gz RYNKFSAOMKRHAN-HOTGVXAUSA-N 1 3 304.434 2.463 20 0 DEADHO COc1cc(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc(OC)c1 ZINC001422974119 1172989248 /nfs/dbraw/zinc/98/92/48/1172989248.db2.gz RYNKFSAOMKRHAN-HOTGVXAUSA-N 1 3 304.434 2.463 20 0 DEADHO C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCCN1Cc1ccccc1 ZINC001423377052 1173316197 /nfs/dbraw/zinc/31/61/97/1173316197.db2.gz WFZXZXUTPTZOJO-DOTOQJQBSA-N 1 3 303.450 2.107 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CCC(F)(F)F)CCN1C(=O)CN1CCCC1 ZINC001423451649 1173356174 /nfs/dbraw/zinc/35/61/74/1173356174.db2.gz LJQFJUGDRPAWEG-QWHCGFSZSA-N 1 3 321.387 2.004 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001423568162 1173415629 /nfs/dbraw/zinc/41/56/29/1173415629.db2.gz YONWAXDAUOGVLN-IBGZPJMESA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001423568162 1173415632 /nfs/dbraw/zinc/41/56/32/1173415632.db2.gz YONWAXDAUOGVLN-IBGZPJMESA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](F)CN1CCCCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001425188114 1174217230 /nfs/dbraw/zinc/21/72/30/1174217230.db2.gz AIEZYKVNAZBZSQ-HZPDHXFCSA-N 1 3 315.477 2.437 20 0 DEADHO CC[C@@H](F)C[N@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001425433179 1174318438 /nfs/dbraw/zinc/31/84/38/1174318438.db2.gz AJSUBHWGNYQBNL-CQSZACIVSA-N 1 3 313.461 2.142 20 0 DEADHO CC[C@@H](F)C[N@@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001425433179 1174318446 /nfs/dbraw/zinc/31/84/46/1174318446.db2.gz AJSUBHWGNYQBNL-CQSZACIVSA-N 1 3 313.461 2.142 20 0 DEADHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001425603481 1174395584 /nfs/dbraw/zinc/39/55/84/1174395584.db2.gz XSNSWLJPNWMVBP-CZUORRHYSA-N 1 3 309.429 2.102 20 0 DEADHO Cc1ccc(F)c(CN[C@H](C)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001425688392 1174461130 /nfs/dbraw/zinc/46/11/30/1174461130.db2.gz WMVXERXRBKJAAI-CABCVRRESA-N 1 3 321.440 2.022 20 0 DEADHO Cc1ccc(F)c(CN[C@H](C)CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001425688392 1174461133 /nfs/dbraw/zinc/46/11/33/1174461133.db2.gz WMVXERXRBKJAAI-CABCVRRESA-N 1 3 321.440 2.022 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@H](NC(=O)CN(C)C(C)C)C(C)(C)C ZINC001426166715 1174626550 /nfs/dbraw/zinc/62/65/50/1174626550.db2.gz OHYCRBCTEWSDRV-KGLIPLIRSA-N 1 3 303.466 2.195 20 0 DEADHO CCCN(CCN(C)C)C(=O)c1cccc(CC[NH+](C)C)c1 ZINC001433723531 1177960594 /nfs/dbraw/zinc/96/05/94/1177960594.db2.gz IZCJCIRRLLFTCE-UHFFFAOYSA-N 1 3 305.466 2.205 20 0 DEADHO C[C@H](NCCF)[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001436662632 1179171902 /nfs/dbraw/zinc/17/19/02/1179171902.db2.gz DVPVSJMKFTUEFK-HOTGVXAUSA-N 1 3 313.461 2.191 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCCN(Cc2ccsc2)C1 ZINC001436992667 1179336428 /nfs/dbraw/zinc/33/64/28/1179336428.db2.gz BSJNXJZZDAGEOK-OAHLLOKOSA-N 1 3 323.506 2.418 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCCN(Cc2ccsc2)C1 ZINC001436992667 1179336436 /nfs/dbraw/zinc/33/64/36/1179336436.db2.gz BSJNXJZZDAGEOK-OAHLLOKOSA-N 1 3 323.506 2.418 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001437153939 1179494709 /nfs/dbraw/zinc/49/47/09/1179494709.db2.gz KFBFBCHQFCRANA-SJLPKXTDSA-N 1 3 317.477 2.464 20 0 DEADHO C[C@H](C(=O)NCC[C@H]1CCN(CCF)C1)[NH+]1CCCCCC1 ZINC001437942921 1180096461 /nfs/dbraw/zinc/09/64/61/1180096461.db2.gz XUVAJYVPOGRQCW-CVEARBPZSA-N 1 3 313.461 2.049 20 0 DEADHO C[C@@H](C[NH2+]Cc1ccc(Cl)cc1)N(C)C(=O)[C@H]1CCCN1C ZINC001438679205 1180751399 /nfs/dbraw/zinc/75/13/99/1180751399.db2.gz QHUFPUCXPTUKDX-XJKSGUPXSA-N 1 3 323.868 2.371 20 0 DEADHO CC(C)[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCC(C)(C)C ZINC001438827269 1180823462 /nfs/dbraw/zinc/82/34/62/1180823462.db2.gz IWCKUSZQDWJADU-JKSUJKDBSA-N 1 3 311.514 2.495 20 0 DEADHO CN(CC(=O)NC[C@]1(C)CCC[N@H+](CC2CC2)C1)C1CCC1 ZINC001439931864 1181312698 /nfs/dbraw/zinc/31/26/98/1181312698.db2.gz KRVQAQKSSZYEFN-SFHVURJKSA-N 1 3 307.482 2.099 20 0 DEADHO CN(CC(=O)NC[C@]1(C)CCC[N@@H+](CC2CC2)C1)C1CCC1 ZINC001439931864 1181312702 /nfs/dbraw/zinc/31/27/02/1181312702.db2.gz KRVQAQKSSZYEFN-SFHVURJKSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@]1(C)CCC[N@@H+](CC[C@H](C)F)C1 ZINC001439948949 1181325364 /nfs/dbraw/zinc/32/53/64/1181325364.db2.gz MOKIFQVEYYMYDK-RDJZCZTQSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@]1(C)CCC[N@H+](CC[C@H](C)F)C1 ZINC001439948949 1181325379 /nfs/dbraw/zinc/32/53/79/1181325379.db2.gz MOKIFQVEYYMYDK-RDJZCZTQSA-N 1 3 315.477 2.293 20 0 DEADHO C[C@H]([NH2+]C/C=C/Cl)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001440116203 1181356110 /nfs/dbraw/zinc/35/61/10/1181356110.db2.gz NWLWNVTYXLXIQB-OQOLLCEYSA-N 1 3 313.873 2.050 20 0 DEADHO CC[C@H](F)C[NH2+]C1(CNC(=O)[C@H]2CCCN2C(C)C)CCC1 ZINC001440305638 1181439091 /nfs/dbraw/zinc/43/90/91/1181439091.db2.gz USAHLCLXNONEHO-LSDHHAIUSA-N 1 3 313.461 2.236 20 0 DEADHO O=C(CC[NH+]1CCCCC1)NCC1(NC/C=C\Cl)CCC1 ZINC001440359297 1181464039 /nfs/dbraw/zinc/46/40/39/1181464039.db2.gz ZDCHKXKFAKMXRC-UITAMQMPSA-N 1 3 313.873 2.243 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)CC[N@@H+]1CC1CCC1 ZINC001440649700 1181626798 /nfs/dbraw/zinc/62/67/98/1181626798.db2.gz KHRKACUSYLBWSP-HOCLYGCPSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)CC[N@H+]1CC1CCC1 ZINC001440649700 1181626803 /nfs/dbraw/zinc/62/68/03/1181626803.db2.gz KHRKACUSYLBWSP-HOCLYGCPSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC001440750130 1181673874 /nfs/dbraw/zinc/67/38/74/1181673874.db2.gz PKUJSHBEKFSKSY-SJORKVTESA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([C@H]2CC[N@H+](C(C)C)C2)C1 ZINC001440750130 1181673883 /nfs/dbraw/zinc/67/38/83/1181673883.db2.gz PKUJSHBEKFSKSY-SJORKVTESA-N 1 3 309.498 2.296 20 0 DEADHO C[C@H](NC(=O)CC[NH+](C)C)C1CN([C@@H](C)c2ccccc2)C1 ZINC001441179225 1181884702 /nfs/dbraw/zinc/88/47/02/1181884702.db2.gz LARCRCBNPPJYTR-GJZGRUSLSA-N 1 3 303.450 2.136 20 0 DEADHO CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)C)N(C)C ZINC001441448330 1181999912 /nfs/dbraw/zinc/99/99/12/1181999912.db2.gz ROCWOHOUQWAOBG-HMQMGEFJSA-N 1 3 309.498 2.484 20 0 DEADHO CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C)N(C)C ZINC001441448330 1181999918 /nfs/dbraw/zinc/99/99/18/1181999918.db2.gz ROCWOHOUQWAOBG-HMQMGEFJSA-N 1 3 309.498 2.484 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001441520765 1182038597 /nfs/dbraw/zinc/03/85/97/1182038597.db2.gz GALPIGGYUVMUDT-WCVJEAGWSA-N 1 3 313.461 2.234 20 0 DEADHO C[C@@H](CNC(=O)CCC[NH+](C)C)N[C@@H](C)c1ccccc1F ZINC001441948091 1182264549 /nfs/dbraw/zinc/26/45/49/1182264549.db2.gz AGEMWQVKNWHUCC-KBPBESRZSA-N 1 3 309.429 2.323 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+]Cc1cc(C)sc1C ZINC001442018212 1182288678 /nfs/dbraw/zinc/28/86/78/1182288678.db2.gz XHCVQQNOIBFFSG-LBPRGKRZSA-N 1 3 311.495 2.301 20 0 DEADHO CC[C@H](C)C[NH2+][C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001442075139 1182309625 /nfs/dbraw/zinc/30/96/25/1182309625.db2.gz BIDFTCRDQKMYLN-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](F)CN1CCC([C@@H](C)NC(=O)CC[N@H+](C)CC)CC1 ZINC001442206519 1182366672 /nfs/dbraw/zinc/36/66/72/1182366672.db2.gz YAXIMHARJRJNMP-ZBFHGGJFSA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@H](F)CN1CCC([C@@H](C)NC(=O)CC[N@@H+](C)CC)CC1 ZINC001442206519 1182366674 /nfs/dbraw/zinc/36/66/74/1182366674.db2.gz YAXIMHARJRJNMP-ZBFHGGJFSA-N 1 3 315.477 2.293 20 0 DEADHO CC[N@H+](CCNC(=O)CN(C)C(C)C)[C@H]1CCc2ccccc21 ZINC001442756667 1182690982 /nfs/dbraw/zinc/69/09/82/1182690982.db2.gz QNFHWVVMWDQBIH-SFHVURJKSA-N 1 3 317.477 2.452 20 0 DEADHO CC[N@@H+](CCNC(=O)CN(C)C(C)C)[C@H]1CCc2ccccc21 ZINC001442756667 1182690985 /nfs/dbraw/zinc/69/09/85/1182690985.db2.gz QNFHWVVMWDQBIH-SFHVURJKSA-N 1 3 317.477 2.452 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1C(C)C)N1CCCCC1 ZINC001442850568 1182744284 /nfs/dbraw/zinc/74/42/84/1182744284.db2.gz SVFWDFNZPVKAMX-IAGOWNOFSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+]1C(C)C)N1CCCCC1 ZINC001442850568 1182744294 /nfs/dbraw/zinc/74/42/94/1182744294.db2.gz SVFWDFNZPVKAMX-IAGOWNOFSA-N 1 3 309.498 2.486 20 0 DEADHO Cc1ccc(CN(CCNC(=O)CC[NH+](C)C)C2CC2)cc1 ZINC001443034856 1182831283 /nfs/dbraw/zinc/83/12/83/1182831283.db2.gz UYJACPRBVDNVEQ-UHFFFAOYSA-N 1 3 303.450 2.027 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H](C[N@H+](C)C/C=C/Cl)C2)CCC1 ZINC001443316334 1182922051 /nfs/dbraw/zinc/92/20/51/1182922051.db2.gz AMLJRBNMTYAXQP-VZUFXWRPSA-N 1 3 313.873 2.004 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H](C[N@@H+](C)C/C=C/Cl)C2)CCC1 ZINC001443316334 1182922060 /nfs/dbraw/zinc/92/20/60/1182922060.db2.gz AMLJRBNMTYAXQP-VZUFXWRPSA-N 1 3 313.873 2.004 20 0 DEADHO CC[C@@H](C(=O)NC1(C[NH2+]CC2CC(C)C2)CCCC1)N(C)C ZINC001444078937 1183280191 /nfs/dbraw/zinc/28/01/91/1183280191.db2.gz HLEVDLFOBWYOIF-GPANFISMSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)Cc2c[nH]cn2)c(C)c1 ZINC001444681487 1183516026 /nfs/dbraw/zinc/51/60/26/1183516026.db2.gz HVYWEACDZTTXNJ-OAHLLOKOSA-N 1 3 314.433 2.206 20 0 DEADHO C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1)N(C)C(=O)CN1CCCC1 ZINC001444728699 1183533137 /nfs/dbraw/zinc/53/31/37/1183533137.db2.gz NYLOZCRSDMKVIO-GJZGRUSLSA-N 1 3 321.440 2.419 20 0 DEADHO CC(C)[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]C/C=C\Cl ZINC001444918297 1183645834 /nfs/dbraw/zinc/64/58/34/1183645834.db2.gz VWSKOEYFSXJKNM-DANTVBBOSA-N 1 3 317.905 2.447 20 0 DEADHO CN(CCc1cccs1)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001445036598 1183731090 /nfs/dbraw/zinc/73/10/90/1183731090.db2.gz WRRNXTGSONZQKZ-UHFFFAOYSA-N 1 3 323.506 2.023 20 0 DEADHO CC[N@H+](C)CCC(=O)NCC1(NCc2csc(C)c2)CC1 ZINC001446257559 1184286382 /nfs/dbraw/zinc/28/63/82/1184286382.db2.gz KTHGGNZXBXJYQQ-UHFFFAOYSA-N 1 3 309.479 2.137 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCC1(NCc2csc(C)c2)CC1 ZINC001446257559 1184286387 /nfs/dbraw/zinc/28/63/87/1184286387.db2.gz KTHGGNZXBXJYQQ-UHFFFAOYSA-N 1 3 309.479 2.137 20 0 DEADHO CC(C)C[NH+]1CCC(C)(NC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001446478600 1184365995 /nfs/dbraw/zinc/36/59/95/1184365995.db2.gz RHJSIVINTDTAMA-HZPDHXFCSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CCC(F)(F)F)C1 ZINC001446943669 1184585804 /nfs/dbraw/zinc/58/58/04/1184585804.db2.gz MOHMECPUAUTFTM-QWHCGFSZSA-N 1 3 323.403 2.106 20 0 DEADHO C[C@H]([NH2+]CC1CC1)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001446943313 1184586291 /nfs/dbraw/zinc/58/62/91/1184586291.db2.gz SAVTUNPTUXUPBF-HOCLYGCPSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001447166067 1184657581 /nfs/dbraw/zinc/65/75/81/1184657581.db2.gz ZXTJPLXXCAHSAE-KFWWJZLASA-N 1 3 301.450 2.045 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]Cc2ccc(F)cc2)CCC1)N(C)C ZINC001447210570 1184676168 /nfs/dbraw/zinc/67/61/68/1184676168.db2.gz BNNQPKDRHLJWER-MRXNPFEDSA-N 1 3 321.440 2.294 20 0 DEADHO CC[C@@H](F)CN(C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001447342896 1184734746 /nfs/dbraw/zinc/73/47/46/1184734746.db2.gz ISNAZRCLZJBASO-OWCLPIDISA-N 1 3 315.477 2.245 20 0 DEADHO CC[C@@H](F)CN(C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001447342896 1184734751 /nfs/dbraw/zinc/73/47/51/1184734751.db2.gz ISNAZRCLZJBASO-OWCLPIDISA-N 1 3 315.477 2.245 20 0 DEADHO CC[C@H](F)CN(C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001447342889 1184735488 /nfs/dbraw/zinc/73/54/88/1184735488.db2.gz ISNAZRCLZJBASO-HRCADAONSA-N 1 3 315.477 2.245 20 0 DEADHO CC[C@H](F)CN(C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001447342889 1184735491 /nfs/dbraw/zinc/73/54/91/1184735491.db2.gz ISNAZRCLZJBASO-HRCADAONSA-N 1 3 315.477 2.245 20 0 DEADHO CCC1([NH2+]C/C=C\Cl)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001447416444 1184765704 /nfs/dbraw/zinc/76/57/04/1184765704.db2.gz RLSMLRSNOGMXJX-VYLZPFMQSA-N 1 3 313.873 2.194 20 0 DEADHO CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](CC)N(C)C ZINC001447749161 1184856890 /nfs/dbraw/zinc/85/68/90/1184856890.db2.gz HVBCMEHOXFFFNW-IXDOHACOSA-N 1 3 303.450 2.108 20 0 DEADHO CC(C)[C@@H](CCN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CC1CC1 ZINC001448213692 1185116538 /nfs/dbraw/zinc/11/65/38/1185116538.db2.gz LYLRQYKPAXVQFR-MRXNPFEDSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](NC(=O)CN(C)C1CCC1)C1C[NH+](CCC2CCCC2)C1 ZINC001448309595 1185157702 /nfs/dbraw/zinc/15/77/02/1185157702.db2.gz WEPYDOYEZQECDD-OAHLLOKOSA-N 1 3 321.509 2.488 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC=C(Cl)Cl)[C@H]1C ZINC001448973201 1185467488 /nfs/dbraw/zinc/46/74/88/1185467488.db2.gz FHHRQYVMHDKXPD-VXGBXAGGSA-N 1 3 322.280 2.226 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC=C(Cl)Cl)[C@H]1C ZINC001448973201 1185467491 /nfs/dbraw/zinc/46/74/91/1185467491.db2.gz FHHRQYVMHDKXPD-VXGBXAGGSA-N 1 3 322.280 2.226 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCC2CCCC2)C[C@H]1C ZINC001449009856 1185483925 /nfs/dbraw/zinc/48/39/25/1185483925.db2.gz HFZDOCZBLNCJQV-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO Cc1c[nH+]c(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)cc1N ZINC001164735696 720427966 /nfs/dbraw/zinc/42/79/66/720427966.db2.gz XORXEJMXALHVTF-IAGOWNOFSA-N 1 3 309.417 2.220 20 0 DEADHO Cc1cc(F)ccc1C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001370730888 1149830828 /nfs/dbraw/zinc/83/08/28/1149830828.db2.gz LSRKTWCKBDXHHB-CALCHBBNSA-N 1 3 321.440 2.211 20 0 DEADHO CC(C)(C(=O)NCC[NH2+]CC1CC(F)(F)C1)N1CCCCC1 ZINC001127322470 782655842 /nfs/dbraw/zinc/65/58/42/782655842.db2.gz PZNZHOQHUZQJCE-UHFFFAOYSA-N 1 3 317.424 2.002 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)C(C)(C)N2CCCC2)CC[N@@H+]1CCCF ZINC000947617009 783190208 /nfs/dbraw/zinc/19/02/08/783190208.db2.gz UXWYOKFWNVHRLT-HUUCEWRRSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)C(C)(C)N2CCCC2)CC[N@H+]1CCCF ZINC000947617009 783190216 /nfs/dbraw/zinc/19/02/16/783190216.db2.gz UXWYOKFWNVHRLT-HUUCEWRRSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)CC[N@@H+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001072979519 790351436 /nfs/dbraw/zinc/35/14/36/790351436.db2.gz BTKVIUZJKZJITE-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)CC[N@H+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001072979519 790351452 /nfs/dbraw/zinc/35/14/52/790351452.db2.gz BTKVIUZJKZJITE-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H](C[NH2+]CC3CC3)[C@H](C)C2)CC1 ZINC001075349193 776634400 /nfs/dbraw/zinc/63/44/00/776634400.db2.gz SZCBLBZCBSQUAS-AEFFLSMTSA-N 1 3 321.509 2.203 20 0 DEADHO C[NH2+]Cc1cn(-c2ncc3c(n2)CCNC3)c2ccc(C)cc12 ZINC001167121322 776698508 /nfs/dbraw/zinc/69/85/08/776698508.db2.gz JKMSHLQIPJKGSM-UHFFFAOYSA-N 1 3 307.401 2.094 20 0 DEADHO CC[C@@H](F)C[NH2+]CC1(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001167225208 776781568 /nfs/dbraw/zinc/78/15/68/776781568.db2.gz QNDCJDYQLIKUPY-HUUCEWRRSA-N 1 3 313.461 2.095 20 0 DEADHO CC[C@H](C(=O)NCC1CC([NH2+]Cc2ccsc2)C1)N(C)C ZINC001100443332 776823985 /nfs/dbraw/zinc/82/39/85/776823985.db2.gz BEUJUTNKKZYGGJ-YMAMQOFZSA-N 1 3 309.479 2.073 20 0 DEADHO N=c1cc(C[NH3+])ccn1-c1ccc(F)c(CN2CCCC2)c1 ZINC001167693564 777845495 /nfs/dbraw/zinc/84/54/95/777845495.db2.gz UOERUFQJVICOIZ-UHFFFAOYSA-N 1 3 300.381 2.150 20 0 DEADHO C[NH+]1CCC(CN2CCN(Cc3cncc(Cl)c3)CC2)CC1 ZINC001136998009 790580690 /nfs/dbraw/zinc/58/06/90/790580690.db2.gz ZVGAXQXEWJFIHS-UHFFFAOYSA-N 1 3 322.884 2.194 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1CC[NH2+]CC1CC1 ZINC001104832772 778204418 /nfs/dbraw/zinc/20/44/18/778204418.db2.gz SSPKPONDXIHRCC-SJLPKXTDSA-N 1 3 321.509 2.203 20 0 DEADHO CC[NH+](CC)CCC[C@@H](C)N1CCN(c2ncc(C)cn2)CC1 ZINC001167835835 778692481 /nfs/dbraw/zinc/69/24/81/778692481.db2.gz UKJLTMBEOBYCCV-QGZVFWFLSA-N 1 3 319.497 2.418 20 0 DEADHO Cc1csc2c1nc(Cl)nc2NC(=N)NCCCC[NH3+] ZINC001167880008 778743515 /nfs/dbraw/zinc/74/35/15/778743515.db2.gz XZZTXZXIWBLSFX-UHFFFAOYSA-N 1 3 312.830 2.328 20 0 DEADHO CC[C@@H](C)C[NH2+]CC1(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001167900182 778760882 /nfs/dbraw/zinc/76/08/82/778760882.db2.gz AGIYHPWFUCDFHZ-CYBMUJFWSA-N 1 3 306.454 2.183 20 0 DEADHO CC[C@@H](C(=O)NCCC1=CC[N@H+](CC[C@H](C)F)CC1)N(C)C ZINC001161239755 778793069 /nfs/dbraw/zinc/79/30/69/778793069.db2.gz MAUOAONCQBKFIG-HOCLYGCPSA-N 1 3 313.461 2.213 20 0 DEADHO CC[C@@H](C(=O)NCCC1=CC[N@@H+](CC[C@H](C)F)CC1)N(C)C ZINC001161239755 778793072 /nfs/dbraw/zinc/79/30/72/778793072.db2.gz MAUOAONCQBKFIG-HOCLYGCPSA-N 1 3 313.461 2.213 20 0 DEADHO CC(C)CC[N@@H+]1CCC2(CN(C(=O)CN3[C@H](C)CC[C@H]3C)C2)C1 ZINC001073453971 790666012 /nfs/dbraw/zinc/66/60/12/790666012.db2.gz DIPLETUFZFOGPT-IAGOWNOFSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)CC[N@H+]1CCC2(CN(C(=O)CN3[C@H](C)CC[C@H]3C)C2)C1 ZINC001073453971 790666015 /nfs/dbraw/zinc/66/60/15/790666015.db2.gz DIPLETUFZFOGPT-IAGOWNOFSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001073461259 790669426 /nfs/dbraw/zinc/66/94/26/790669426.db2.gz BDQLNVRPZFZWKT-SJORKVTESA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001073461259 790669430 /nfs/dbraw/zinc/66/94/30/790669430.db2.gz BDQLNVRPZFZWKT-SJORKVTESA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(CC=C(C)C)C[C@H]32)CC[N@@H+]1C ZINC001075813462 779354111 /nfs/dbraw/zinc/35/41/11/779354111.db2.gz HBOMYSSRKNWILJ-WNRNVDISSA-N 1 3 319.493 2.216 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(CC=C(C)C)C[C@H]32)CC[N@H+]1C ZINC001075813462 779354113 /nfs/dbraw/zinc/35/41/13/779354113.db2.gz HBOMYSSRKNWILJ-WNRNVDISSA-N 1 3 319.493 2.216 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C2CCCC2)CC[N@@H+]1CC ZINC001087602582 779374390 /nfs/dbraw/zinc/37/43/90/779374390.db2.gz VIPWLIJPXIBPKU-BBWFWOEESA-N 1 3 307.482 2.382 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C2CCCC2)CC[N@H+]1CC ZINC001087602582 779374395 /nfs/dbraw/zinc/37/43/95/779374395.db2.gz VIPWLIJPXIBPKU-BBWFWOEESA-N 1 3 307.482 2.382 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@@H]2C1 ZINC001087993185 779621497 /nfs/dbraw/zinc/62/14/97/779621497.db2.gz DMIRXFBSFOCHJP-SQNIBIBYSA-N 1 3 321.509 2.153 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@@H]2C1 ZINC001087993185 779621501 /nfs/dbraw/zinc/62/15/01/779621501.db2.gz DMIRXFBSFOCHJP-SQNIBIBYSA-N 1 3 321.509 2.153 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CCCC3)CC[C@@H]2C1)N(C)C ZINC001088109693 779707288 /nfs/dbraw/zinc/70/72/88/779707288.db2.gz SSHFJZMSBUDOKH-SQNIBIBYSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC3CCCC3)CC[C@@H]2C1)N(C)C ZINC001088109693 779707291 /nfs/dbraw/zinc/70/72/91/779707291.db2.gz SSHFJZMSBUDOKH-SQNIBIBYSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]2C1 ZINC001088149125 779728628 /nfs/dbraw/zinc/72/86/28/779728628.db2.gz NOOCOAIKFPZHEH-MSOLQXFVSA-N 1 3 321.509 2.155 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]2C1 ZINC001088149125 779728632 /nfs/dbraw/zinc/72/86/32/779728632.db2.gz NOOCOAIKFPZHEH-MSOLQXFVSA-N 1 3 321.509 2.155 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@@H]2C1 ZINC001088212863 779776042 /nfs/dbraw/zinc/77/60/42/779776042.db2.gz XGAGDFYHFYCJED-FGTMMUONSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@@H]2C1 ZINC001088212863 779776044 /nfs/dbraw/zinc/77/60/44/779776044.db2.gz XGAGDFYHFYCJED-FGTMMUONSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C)[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CC2CCC2)C1)C1CC1 ZINC001088326653 779957893 /nfs/dbraw/zinc/95/78/93/779957893.db2.gz UTURNJSOFZETOC-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC[NH2+]CC1([C@H]2CCCCN2C(=O)CN2CC[C@H](C)C2)CCC1 ZINC001105563187 780765937 /nfs/dbraw/zinc/76/59/37/780765937.db2.gz GILAZCMOSVUUKI-DLBZAZTESA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]Cc2ccsc2)CC1 ZINC001168346212 780861960 /nfs/dbraw/zinc/86/19/60/780861960.db2.gz XTZYZDAIVAQAFM-UHFFFAOYSA-N 1 3 323.506 2.464 20 0 DEADHO COC[C@]12CCCO[C@@H]1CCN(C1CC[NH+](CC3CC3)CC1)C2 ZINC001168378420 781745728 /nfs/dbraw/zinc/74/57/28/781745728.db2.gz VCVZEPPEJDFAQG-RTBURBONSA-N 1 3 322.493 2.378 20 0 DEADHO c1cc(O[C@H]2CC[N@@H+](C3CCN(CC4CC4)CC3)C2)ccn1 ZINC001168387824 781775652 /nfs/dbraw/zinc/77/56/52/781775652.db2.gz VNZGEZUGUZAUFK-SFHVURJKSA-N 1 3 301.434 2.409 20 0 DEADHO c1cc(O[C@H]2CC[N@H+](C3CCN(CC4CC4)CC3)C2)ccn1 ZINC001168387824 781775656 /nfs/dbraw/zinc/77/56/56/781775656.db2.gz VNZGEZUGUZAUFK-SFHVURJKSA-N 1 3 301.434 2.409 20 0 DEADHO c1cc(OC2CC[NH+](C3CCN(CC4CC4)CC3)CC2)ncn1 ZINC001168395090 781788347 /nfs/dbraw/zinc/78/83/47/781788347.db2.gz LKNLUHJWORVLMX-UHFFFAOYSA-N 1 3 316.449 2.194 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC ZINC001089645864 783317718 /nfs/dbraw/zinc/31/77/18/783317718.db2.gz BVNIKDVLKKVBCY-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC ZINC001089645864 783317727 /nfs/dbraw/zinc/31/77/27/783317727.db2.gz BVNIKDVLKKVBCY-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001106910508 783417545 /nfs/dbraw/zinc/41/75/45/783417545.db2.gz AWLNKZRXEILGNM-NXVGNOFTSA-N 1 3 309.498 2.369 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CCN1CCC1CC1 ZINC001085628846 783905589 /nfs/dbraw/zinc/90/55/89/783905589.db2.gz GNXLNKCRPHBKNS-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CCN1CCC1CC1 ZINC001085628846 783905594 /nfs/dbraw/zinc/90/55/94/783905594.db2.gz GNXLNKCRPHBKNS-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CC1 ZINC001085628846 783905598 /nfs/dbraw/zinc/90/55/98/783905598.db2.gz GNXLNKCRPHBKNS-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC1CC1 ZINC001085628846 783905603 /nfs/dbraw/zinc/90/56/03/783905603.db2.gz GNXLNKCRPHBKNS-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC000967211195 783906574 /nfs/dbraw/zinc/90/65/74/783906574.db2.gz XKPYURNBTLQDIP-JKSUJKDBSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC000967211195 783906585 /nfs/dbraw/zinc/90/65/85/783906585.db2.gz XKPYURNBTLQDIP-JKSUJKDBSA-N 1 3 307.482 2.097 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@H]2CCN2CC2CC2)C1 ZINC001085778905 784067784 /nfs/dbraw/zinc/06/77/84/784067784.db2.gz JUFGUYZEGBYLCK-IAGOWNOFSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)C[C@H]2CCN2CC2CC2)C1 ZINC001085778905 784067785 /nfs/dbraw/zinc/06/77/85/784067785.db2.gz JUFGUYZEGBYLCK-IAGOWNOFSA-N 1 3 307.482 2.051 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000967925391 784178278 /nfs/dbraw/zinc/17/82/78/784178278.db2.gz OVXMYPXEMVMHBT-CVEARBPZSA-N 1 3 321.852 2.125 20 0 DEADHO CCc1cccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c1 ZINC000967923737 784178640 /nfs/dbraw/zinc/17/86/40/784178640.db2.gz BVTSRFHHNWXVMJ-MSOLQXFVSA-N 1 3 315.461 2.034 20 0 DEADHO CN(C[C@H]1CCN1CCCC1CCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001085973351 784277114 /nfs/dbraw/zinc/27/71/14/784277114.db2.gz UPJYYUSUOSQVCI-IAGOWNOFSA-N 1 3 307.482 2.051 20 0 DEADHO CN(C[C@H]1CCN1CCCC1CCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001085973351 784277119 /nfs/dbraw/zinc/27/71/19/784277119.db2.gz UPJYYUSUOSQVCI-IAGOWNOFSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001007327320 784890215 /nfs/dbraw/zinc/89/02/15/784890215.db2.gz NGMHMRSKAUNUGT-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001007327320 784890217 /nfs/dbraw/zinc/89/02/17/784890217.db2.gz NGMHMRSKAUNUGT-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001007377536 784902360 /nfs/dbraw/zinc/90/23/60/784902360.db2.gz WIAQIINQNDLYGT-KBAYOESNSA-N 1 3 319.493 2.408 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(CC3=CCCCC3)C2)CC[N@H+]1C ZINC001007377536 784902364 /nfs/dbraw/zinc/90/23/64/784902364.db2.gz WIAQIINQNDLYGT-KBAYOESNSA-N 1 3 319.493 2.408 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001007747046 784988672 /nfs/dbraw/zinc/98/86/72/784988672.db2.gz PBEINWPRGIMKPQ-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001007747046 784988677 /nfs/dbraw/zinc/98/86/77/784988677.db2.gz PBEINWPRGIMKPQ-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H](CO)Cc1cccc(Cl)c1)C2 ZINC001169099563 785035291 /nfs/dbraw/zinc/03/52/91/785035291.db2.gz BPAYMFPAHSXWIA-NXOAAHMSSA-N 1 3 308.853 2.458 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H](CO)Cc1cccc(Cl)c1)C2 ZINC001169099563 785035298 /nfs/dbraw/zinc/03/52/98/785035298.db2.gz BPAYMFPAHSXWIA-NXOAAHMSSA-N 1 3 308.853 2.458 20 0 DEADHO C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C)c1ccc(S(C)(=O)=O)cc1 ZINC001169078412 785036445 /nfs/dbraw/zinc/03/64/45/785036445.db2.gz FFRDUNVEPNQHKK-HNKHHVNMSA-N 1 3 322.474 2.366 20 0 DEADHO O=C(N[C@@H]1CCC[N@H+](CCC2CC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001008053123 785092427 /nfs/dbraw/zinc/09/24/27/785092427.db2.gz RTKBOOJIDLRKRF-MSOLQXFVSA-N 1 3 319.493 2.242 20 0 DEADHO O=C(N[C@@H]1CCC[N@@H+](CCC2CC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001008053123 785092436 /nfs/dbraw/zinc/09/24/36/785092436.db2.gz RTKBOOJIDLRKRF-MSOLQXFVSA-N 1 3 319.493 2.242 20 0 DEADHO CN1CCC[C@H]1CC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169730580 785340988 /nfs/dbraw/zinc/34/09/88/785340988.db2.gz NOZUHDHFHAXHMA-MSOLQXFVSA-N 1 3 315.461 2.365 20 0 DEADHO C[N@@H+]1CCC[C@H]1CCN[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169730580 785340997 /nfs/dbraw/zinc/34/09/97/785340997.db2.gz NOZUHDHFHAXHMA-MSOLQXFVSA-N 1 3 315.461 2.365 20 0 DEADHO C[N@H+]1CCC[C@H]1CCN[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169730580 785341005 /nfs/dbraw/zinc/34/10/05/785341005.db2.gz NOZUHDHFHAXHMA-MSOLQXFVSA-N 1 3 315.461 2.365 20 0 DEADHO Cc1cc(C)c(C[NH2+]CCNC(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001129351754 785445574 /nfs/dbraw/zinc/44/55/74/785445574.db2.gz OYRWWDGIXFXJJQ-UHFFFAOYSA-N 1 3 317.477 2.302 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC001009610988 785492223 /nfs/dbraw/zinc/49/22/23/785492223.db2.gz NIKDRRIHSYTXJA-SFHVURJKSA-N 1 3 315.461 2.352 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC001009610988 785492226 /nfs/dbraw/zinc/49/22/26/785492226.db2.gz NIKDRRIHSYTXJA-SFHVURJKSA-N 1 3 315.461 2.352 20 0 DEADHO CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)CN(CC)CC)C2 ZINC001109361541 785820985 /nfs/dbraw/zinc/82/09/85/785820985.db2.gz ZWAHUYJJWXEASG-WCVJEAGWSA-N 1 3 313.461 2.188 20 0 DEADHO CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)CN(CC)CC)C2 ZINC001109361541 785820993 /nfs/dbraw/zinc/82/09/93/785820993.db2.gz ZWAHUYJJWXEASG-WCVJEAGWSA-N 1 3 313.461 2.188 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001014412097 786575651 /nfs/dbraw/zinc/57/56/51/786575651.db2.gz GBGQZRVCXOTYKI-HZPDHXFCSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001014412097 786575660 /nfs/dbraw/zinc/57/56/60/786575660.db2.gz GBGQZRVCXOTYKI-HZPDHXFCSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@H]([NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C)c1ccc(F)cc1 ZINC001129442514 787215640 /nfs/dbraw/zinc/21/56/40/787215640.db2.gz BSXRHFFXHSIVOO-DLBZAZTESA-N 1 3 321.440 2.323 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[NH2+][C@H]1CCCc2ccccc21)N(C)C ZINC001129950732 787262783 /nfs/dbraw/zinc/26/27/83/787262783.db2.gz YPTWJMWYTHODML-ROUUACIJSA-N 1 3 317.477 2.356 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CCCF)C1 ZINC001132152716 787944856 /nfs/dbraw/zinc/94/48/56/787944856.db2.gz HXBYUGRKVKLEMN-KBPBESRZSA-N 1 3 301.450 2.045 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCF)C1 ZINC001132152716 787944858 /nfs/dbraw/zinc/94/48/58/787944858.db2.gz HXBYUGRKVKLEMN-KBPBESRZSA-N 1 3 301.450 2.045 20 0 DEADHO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)N(CCCF)C1 ZINC001132152716 787944861 /nfs/dbraw/zinc/94/48/61/787944861.db2.gz HXBYUGRKVKLEMN-KBPBESRZSA-N 1 3 301.450 2.045 20 0 DEADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)N(CCCF)C1 ZINC001132152716 787944863 /nfs/dbraw/zinc/94/48/63/787944863.db2.gz HXBYUGRKVKLEMN-KBPBESRZSA-N 1 3 301.450 2.045 20 0 DEADHO CCN1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001132202537 787971883 /nfs/dbraw/zinc/97/18/83/787971883.db2.gz IHEOINOWBBAPAU-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO C[NH+](C)CCCC(=O)NCCNCc1ccc(Cl)c(F)c1 ZINC001133040378 788258781 /nfs/dbraw/zinc/25/87/81/788258781.db2.gz NXEBFXMXYLNMTD-UHFFFAOYSA-N 1 3 315.820 2.027 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC2CCC2)C1 ZINC001133178813 788307033 /nfs/dbraw/zinc/30/70/33/788307033.db2.gz XNNPALVCJXNPTP-WBVHZDCISA-N 1 3 309.498 2.203 20 0 DEADHO Cc1cc(C)c(C[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C)c(C)c1 ZINC001133415509 788406396 /nfs/dbraw/zinc/40/63/96/788406396.db2.gz AWJZJNLLPZUXEJ-GOSISDBHSA-N 1 3 319.493 2.404 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCC[NH2+][C@H]1CCc2c1cccc2F ZINC001133833658 788627497 /nfs/dbraw/zinc/62/74/97/788627497.db2.gz BMYARXJZOHJEBQ-GUYCJALGSA-N 1 3 319.424 2.003 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCC[NH2+][C@@H]1CCc2c1cccc2F ZINC001133833659 788627554 /nfs/dbraw/zinc/62/75/54/788627554.db2.gz BMYARXJZOHJEBQ-SUMWQHHRSA-N 1 3 319.424 2.003 20 0 DEADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCC[NH2+]Cc2ccccc2)C1 ZINC001133851156 788632644 /nfs/dbraw/zinc/63/26/44/788632644.db2.gz XWDDWBNIOAHGOK-SFHVURJKSA-N 1 3 321.440 2.105 20 0 DEADHO CC(C)(C)N1CC[C@](F)(C(=O)NCC[NH2+]CC2CCCC2)C1 ZINC001133856427 788641289 /nfs/dbraw/zinc/64/12/89/788641289.db2.gz FFMHJYTZEVECRH-QGZVFWFLSA-N 1 3 313.461 2.095 20 0 DEADHO CC1(C)CCN(CC(=O)NCC[NH2+]CC2CC3(CCC3)C2)C1 ZINC001133896299 788661876 /nfs/dbraw/zinc/66/18/76/788661876.db2.gz HSGMUFULOLEBPR-UHFFFAOYSA-N 1 3 307.482 2.004 20 0 DEADHO CN(CC(=O)NCC[NH2+]Cc1ccc(CF)cc1)CC(C)(C)C ZINC001133899718 788669692 /nfs/dbraw/zinc/66/96/92/788669692.db2.gz TZWLLZBINYNOGY-UHFFFAOYSA-N 1 3 323.456 2.340 20 0 DEADHO C[C@H](C[C@@H](C)[NH2+]CCF)NC(=O)C(C)(C)N1CCCCC1 ZINC001134369885 788900602 /nfs/dbraw/zinc/90/06/02/788900602.db2.gz UFYDNBCTQWWDGU-ZIAGYGMSSA-N 1 3 301.450 2.093 20 0 DEADHO C[C@@H](C[C@H](C)[NH2+]Cc1cncs1)NC(=O)C1(N(C)C)CCC1 ZINC001134583431 788989325 /nfs/dbraw/zinc/98/93/25/788989325.db2.gz KIAWWTBGHYRUKI-STQMWFEESA-N 1 3 324.494 2.000 20 0 DEADHO C[C@H](C[C@H](C)NC(=O)C1(N(C)C)CCC1)[NH2+]CCCCCF ZINC001134583312 788989528 /nfs/dbraw/zinc/98/95/28/788989528.db2.gz ILSLWMQDPTUHGK-CABCVRRESA-N 1 3 315.477 2.483 20 0 DEADHO Cc1cc(CNCCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)cs1 ZINC001135102219 789199378 /nfs/dbraw/zinc/19/93/78/789199378.db2.gz AAIAPFOAVOBPEX-JKSUJKDBSA-N 1 3 321.490 2.279 20 0 DEADHO Cc1cc(CNCCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)cs1 ZINC001135102219 789199382 /nfs/dbraw/zinc/19/93/82/789199382.db2.gz AAIAPFOAVOBPEX-JKSUJKDBSA-N 1 3 321.490 2.279 20 0 DEADHO c1cncc(CN2CCC(C[NH2+][C@H]3CCCOCC3)CC2)c1 ZINC001170796314 789216829 /nfs/dbraw/zinc/21/68/29/789216829.db2.gz KZKCVLAIOKGVTE-SFHVURJKSA-N 1 3 303.450 2.452 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001135511369 789381112 /nfs/dbraw/zinc/38/11/12/789381112.db2.gz OZUHUWSGVRSLMT-KRWDZBQOSA-N 1 3 317.477 2.154 20 0 DEADHO CCCCCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCF ZINC001135691132 789451402 /nfs/dbraw/zinc/45/14/02/789451402.db2.gz OYAMYSUBNATYRO-HUUCEWRRSA-N 1 3 303.466 2.341 20 0 DEADHO C[C@@H]1C[C@H](N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CN1Cc1ccccc1 ZINC000398054260 790243020 /nfs/dbraw/zinc/24/30/20/790243020.db2.gz UTMYWUIOLTYEAL-MLEIXFNDSA-N 1 3 311.473 2.235 20 0 DEADHO CN(C)C1(C(=O)N2CC3(C2)CC[N@H+](CC2CCCC2)C3)CCC1 ZINC001072812181 790255894 /nfs/dbraw/zinc/25/58/94/790255894.db2.gz VSAQRTUAGCAWIT-UHFFFAOYSA-N 1 3 319.493 2.195 20 0 DEADHO CN(C)C1(C(=O)N2CC3(C2)CC[N@@H+](CC2CCCC2)C3)CCC1 ZINC001072812181 790255899 /nfs/dbraw/zinc/25/58/99/790255899.db2.gz VSAQRTUAGCAWIT-UHFFFAOYSA-N 1 3 319.493 2.195 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001072816215 790257789 /nfs/dbraw/zinc/25/77/89/790257789.db2.gz SMFDETWNJHYOPT-OAHLLOKOSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001072816215 790257795 /nfs/dbraw/zinc/25/77/95/790257795.db2.gz SMFDETWNJHYOPT-OAHLLOKOSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CC2=CCCCC2)CCN1C(=O)[C@H]1CCCN1C ZINC001074563105 791232406 /nfs/dbraw/zinc/23/24/06/791232406.db2.gz WWFRPVYAFJBYKL-BHYGNILZSA-N 1 3 305.466 2.160 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)[C@@H]1C ZINC001074878093 791363745 /nfs/dbraw/zinc/36/37/45/791363745.db2.gz ZQKLRDTVYOXGKX-VYDXJSESSA-N 1 3 321.509 2.486 20 0 DEADHO CN(C)C1(C(=O)N2C[C@H]3C[N@H+](CCC4CC4)C[C@@]3(C)C2)CCC1 ZINC001091734996 791772940 /nfs/dbraw/zinc/77/29/40/791772940.db2.gz FUIHCLDEAMAZOH-AEFFLSMTSA-N 1 3 319.493 2.051 20 0 DEADHO CN(C)C1(C(=O)N2C[C@H]3C[N@@H+](CCC4CC4)C[C@@]3(C)C2)CCC1 ZINC001091734996 791772943 /nfs/dbraw/zinc/77/29/43/791772943.db2.gz FUIHCLDEAMAZOH-AEFFLSMTSA-N 1 3 319.493 2.051 20 0 DEADHO CC[C@H](C)C[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@]2(C)C1 ZINC001091741095 791785230 /nfs/dbraw/zinc/78/52/30/791785230.db2.gz ZWQNXNUGTINCSU-FCEWJHQRSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@H](C)C[N@H+]1C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@]2(C)C1 ZINC001091741095 791785236 /nfs/dbraw/zinc/78/52/36/791785236.db2.gz ZWQNXNUGTINCSU-FCEWJHQRSA-N 1 3 321.509 2.297 20 0 DEADHO CC[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001086941716 791857119 /nfs/dbraw/zinc/85/71/19/791857119.db2.gz ALPVNEKCUJZOLY-CVEARBPZSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@H](C(=O)N1C[C@H]2C[N@H+](CCC(C)C)C[C@@]2(C)C1)N(C)C ZINC001091782892 791887747 /nfs/dbraw/zinc/88/77/47/791887747.db2.gz KVLSUEYRAKTYHR-NUJGCVRESA-N 1 3 309.498 2.153 20 0 DEADHO CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CCC(C)C)C[C@@]2(C)C1)N(C)C ZINC001091782892 791887753 /nfs/dbraw/zinc/88/77/53/791887753.db2.gz KVLSUEYRAKTYHR-NUJGCVRESA-N 1 3 309.498 2.153 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2C[N@H+](CCC3CC3)C[C@@]2(C)C1 ZINC001092011207 791923486 /nfs/dbraw/zinc/92/34/86/791923486.db2.gz STDKETUPQNLDBQ-WDYCEAGBSA-N 1 3 319.493 2.051 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2C[N@@H+](CCC3CC3)C[C@@]2(C)C1 ZINC001092011207 791923488 /nfs/dbraw/zinc/92/34/88/791923488.db2.gz STDKETUPQNLDBQ-WDYCEAGBSA-N 1 3 319.493 2.051 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](C(C)C)C[C@@]2(C)C1 ZINC001092302955 791973757 /nfs/dbraw/zinc/97/37/57/791973757.db2.gz JKZWILLZHIQOBA-RYRKJORJSA-N 1 3 307.482 2.050 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](C(C)C)C[C@@]2(C)C1 ZINC001092302955 791973763 /nfs/dbraw/zinc/97/37/63/791973763.db2.gz JKZWILLZHIQOBA-RYRKJORJSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CC2CCCC2)[C@H](C)C1)N(C)C ZINC001093839775 792615060 /nfs/dbraw/zinc/61/50/60/792615060.db2.gz YQINDWCWMWBJOC-NXHRZFHOSA-N 1 3 323.525 2.447 20 0 DEADHO CN(C)[C@H](C(=O)NCC1CC([NH2+]Cc2ccsc2)C1)C1CC1 ZINC001100407769 792633348 /nfs/dbraw/zinc/63/33/48/792633348.db2.gz ISIRPCILAIGVDB-BCLQGDPASA-N 1 3 321.490 2.073 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1CC([NH2+]Cc2ccccc2)C1)N(C)C ZINC001100426456 792642864 /nfs/dbraw/zinc/64/28/64/792642864.db2.gz JANSJJVPBNBTCN-ABHNRTSZSA-N 1 3 317.477 2.257 20 0 DEADHO CC(C)(C(=O)NCC1CC([NH2+]CCC2CC2)C1)N1CCCC1 ZINC001100562518 792721911 /nfs/dbraw/zinc/72/19/11/792721911.db2.gz PQCZEWZANYLTSZ-UHFFFAOYSA-N 1 3 307.482 2.145 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC1CC([NH2+]C/C=C\Cl)C1 ZINC001101036578 792978339 /nfs/dbraw/zinc/97/83/39/792978339.db2.gz UGRWOVITTSQJIA-HXEIOBHDSA-N 1 3 313.873 2.098 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]CCCF ZINC001171585698 793126655 /nfs/dbraw/zinc/12/66/55/793126655.db2.gz AYNSQFFCRMKDGW-AWEZNQCLSA-N 1 3 303.466 2.341 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]C[C@@H](C)OC ZINC001171586078 793128008 /nfs/dbraw/zinc/12/80/08/793128008.db2.gz IQWJIBVDYKTRFY-HUUCEWRRSA-N 1 3 315.502 2.016 20 0 DEADHO CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001101375351 793136021 /nfs/dbraw/zinc/13/60/21/793136021.db2.gz OKUCFIHHYVNTAW-QAPCUYQASA-N 1 3 318.465 2.313 20 0 DEADHO CCCCCC[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001101375351 793136025 /nfs/dbraw/zinc/13/60/25/793136025.db2.gz OKUCFIHHYVNTAW-QAPCUYQASA-N 1 3 318.465 2.313 20 0 DEADHO CC(=O)N1CCC[C@@H](C[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171622924 793152756 /nfs/dbraw/zinc/15/27/56/793152756.db2.gz CVBQSUHHSPWQMF-HNNXBMFYSA-N 1 3 309.498 2.486 20 0 DEADHO CC1([NH3+])CCN([C@@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171879531 793253536 /nfs/dbraw/zinc/25/35/36/793253536.db2.gz XXAQXBRDRFNSCI-QGZVFWFLSA-N 1 3 315.461 2.495 20 0 DEADHO CC1(C)C[C@H](NCCOCCO)CC[N@@H+]1Cc1ccccc1 ZINC001171963791 793259739 /nfs/dbraw/zinc/25/97/39/793259739.db2.gz JGAGHSKCXKQXMK-QGZVFWFLSA-N 1 3 306.450 2.028 20 0 DEADHO CC1(C)C[C@H](NCCOCCO)CC[N@H+]1Cc1ccccc1 ZINC001171963791 793259750 /nfs/dbraw/zinc/25/97/50/793259750.db2.gz JGAGHSKCXKQXMK-QGZVFWFLSA-N 1 3 306.450 2.028 20 0 DEADHO O=C1C[C@@H](NC2CC[NH+](C3CCCC3)CC2)CCN1C1CC1 ZINC001172012027 793282444 /nfs/dbraw/zinc/28/24/44/793282444.db2.gz JUGMPMFNCXCLND-HNNXBMFYSA-N 1 3 305.466 2.136 20 0 DEADHO O=C1C[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)CCN1C1CC1 ZINC001172012027 793282453 /nfs/dbraw/zinc/28/24/53/793282453.db2.gz JUGMPMFNCXCLND-HNNXBMFYSA-N 1 3 305.466 2.136 20 0 DEADHO CCN1CC[C@@H](NC2CC[NH+](C[C@H]3CC=CCC3)CC2)CC1=O ZINC001172045185 793305994 /nfs/dbraw/zinc/30/59/94/793305994.db2.gz ZTJLVWPNBMHULJ-FUHWJXTLSA-N 1 3 319.493 2.408 20 0 DEADHO C[C@@H](CN)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172088271 793312481 /nfs/dbraw/zinc/31/24/81/793312481.db2.gz KMKUSSXXJVTSSD-ZQDZILKHSA-N 1 3 311.470 2.491 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H](CO)COCc1ccccc1)C2 ZINC001172104390 793329254 /nfs/dbraw/zinc/32/92/54/793329254.db2.gz CJVGEGOYOKAMCY-OKYOBFRVSA-N 1 3 318.461 2.169 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H](CO)COCc1ccccc1)C2 ZINC001172104390 793329262 /nfs/dbraw/zinc/32/92/62/793329262.db2.gz CJVGEGOYOKAMCY-OKYOBFRVSA-N 1 3 318.461 2.169 20 0 DEADHO CCc1nnc2ccc(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)N4C)cn21 ZINC001172112357 793336285 /nfs/dbraw/zinc/33/62/85/793336285.db2.gz VQZCHGBZLJNBOF-MUJYYYPQSA-N 1 3 313.449 2.397 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCN1CCC(F)(F)CC1)C2 ZINC001172118631 793339144 /nfs/dbraw/zinc/33/91/44/793339144.db2.gz SPDPIJQUFRNZGB-QDMKHBRRSA-N 1 3 301.425 2.322 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCN1CCC(F)(F)CC1)C2 ZINC001172118631 793339146 /nfs/dbraw/zinc/33/91/46/793339146.db2.gz SPDPIJQUFRNZGB-QDMKHBRRSA-N 1 3 301.425 2.322 20 0 DEADHO CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001094922762 793443224 /nfs/dbraw/zinc/44/32/24/793443224.db2.gz KBWZRGHSGMMVIX-JYJNAYRXSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[N@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC001101976178 793466173 /nfs/dbraw/zinc/46/61/73/793466173.db2.gz NHZWSIHOJHSAPL-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[N@@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC001101976178 793466178 /nfs/dbraw/zinc/46/61/78/793466178.db2.gz NHZWSIHOJHSAPL-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCCC(C)C)C[C@H]1C)N(C)C ZINC001102087968 793499621 /nfs/dbraw/zinc/49/96/21/793499621.db2.gz FOPMSDKYRQLTEX-BRWVUGGUSA-N 1 3 311.514 2.447 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1C)N(C)C ZINC001102087968 793499625 /nfs/dbraw/zinc/49/96/25/793499625.db2.gz FOPMSDKYRQLTEX-BRWVUGGUSA-N 1 3 311.514 2.447 20 0 DEADHO CC[C@H](C)C[N@H+]1C[C@@H](CNC(=O)C(C)(C)N(C)CC)[C@H](C)C1 ZINC001102100866 793504708 /nfs/dbraw/zinc/50/47/08/793504708.db2.gz AMZSMWBYBLERIA-ARFHVFGLSA-N 1 3 311.514 2.447 20 0 DEADHO CC[C@H](C)C[N@@H+]1C[C@@H](CNC(=O)C(C)(C)N(C)CC)[C@H](C)C1 ZINC001102100866 793504710 /nfs/dbraw/zinc/50/47/10/793504710.db2.gz AMZSMWBYBLERIA-ARFHVFGLSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CN(C/C=C/Cl)C[C@H]1C)[NH+](C)C ZINC001102330476 793577353 /nfs/dbraw/zinc/57/73/53/793577353.db2.gz XRKYDLKKCAYSPO-ZQXYTJGRSA-N 1 3 315.889 2.009 20 0 DEADHO CCCOC1CCC(N2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC001173100251 793578024 /nfs/dbraw/zinc/57/80/24/793578024.db2.gz HQJDEGHEOPHEIN-UHFFFAOYSA-N 1 3 323.525 2.438 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102600608 793668322 /nfs/dbraw/zinc/66/83/22/793668322.db2.gz MKYGUCLEJDANQL-PMKBXARWSA-N 1 3 309.498 2.367 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102600608 793668327 /nfs/dbraw/zinc/66/83/27/793668327.db2.gz MKYGUCLEJDANQL-PMKBXARWSA-N 1 3 309.498 2.367 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](CC2CC(C)C2)C[C@H]1C ZINC001102600480 793668376 /nfs/dbraw/zinc/66/83/76/793668376.db2.gz HJABMYQLFQBAIU-MNAZLIDISA-N 1 3 309.498 2.057 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](CC2CC(C)C2)C[C@H]1C ZINC001102600480 793668381 /nfs/dbraw/zinc/66/83/81/793668381.db2.gz HJABMYQLFQBAIU-MNAZLIDISA-N 1 3 309.498 2.057 20 0 DEADHO CCOC(=O)C[C@H]1CC[C@H](N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001173653456 793811780 /nfs/dbraw/zinc/81/17/80/793811780.db2.gz VDRVDGIGRWTZEL-RDJZCZTQSA-N 1 3 317.433 2.326 20 0 DEADHO CCOC(=O)C[C@@H]1CC[C@H](N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001173653458 793812421 /nfs/dbraw/zinc/81/24/21/793812421.db2.gz VDRVDGIGRWTZEL-WBVHZDCISA-N 1 3 317.433 2.326 20 0 DEADHO COC(=O)c1ccc(C[C@@H](C)[NH+]2CCC3(CN(C)C3)CC2)cc1 ZINC001173731071 793850802 /nfs/dbraw/zinc/85/08/02/793850802.db2.gz RHQGTPDZPVYNSS-OAHLLOKOSA-N 1 3 316.445 2.432 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]C/C=C\c1ccccc1 ZINC001174682231 794039634 /nfs/dbraw/zinc/03/96/34/794039634.db2.gz HFIXEQRZDKHRGJ-UITAMQMPSA-N 1 3 312.417 2.070 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]Cc1ccc(C)c(C)c1 ZINC001174683264 794039767 /nfs/dbraw/zinc/03/97/67/794039767.db2.gz SKRLHPIPABNEJW-UHFFFAOYSA-N 1 3 314.433 2.174 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+][C@H](C)c1ccccc1 ZINC001174692002 794042003 /nfs/dbraw/zinc/04/20/03/794042003.db2.gz OODYEAZRDVXXHM-CYBMUJFWSA-N 1 3 300.406 2.118 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]Cc1ccc(C)cc1C ZINC001174691152 794042294 /nfs/dbraw/zinc/04/22/94/794042294.db2.gz IIQWHNOPMAPWNR-UHFFFAOYSA-N 1 3 314.433 2.174 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001103408530 794078902 /nfs/dbraw/zinc/07/89/02/794078902.db2.gz GPKCXFZWLZXNCF-BRWVUGGUSA-N 1 3 311.514 2.303 20 0 DEADHO CC(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001103408530 794078908 /nfs/dbraw/zinc/07/89/08/794078908.db2.gz GPKCXFZWLZXNCF-BRWVUGGUSA-N 1 3 311.514 2.303 20 0 DEADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1C ZINC001103550403 794141689 /nfs/dbraw/zinc/14/16/89/794141689.db2.gz NYCBEHWCLNXLPA-OCESRQBRSA-N 1 3 315.889 2.155 20 0 DEADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1C ZINC001103550403 794141693 /nfs/dbraw/zinc/14/16/93/794141693.db2.gz NYCBEHWCLNXLPA-OCESRQBRSA-N 1 3 315.889 2.155 20 0 DEADHO CCN1CCN(c2ccc(NC3=CCC[N@H+](C)C3)cc2)CC1 ZINC001175575879 794247743 /nfs/dbraw/zinc/24/77/43/794247743.db2.gz CUVKXHMJSWYZGS-UHFFFAOYSA-N 1 3 300.450 2.460 20 0 DEADHO CCN1CCN(c2ccc(NC3=CCC[N@@H+](C)C3)cc2)CC1 ZINC001175575879 794247750 /nfs/dbraw/zinc/24/77/50/794247750.db2.gz CUVKXHMJSWYZGS-UHFFFAOYSA-N 1 3 300.450 2.460 20 0 DEADHO CC[NH+]1CCN(c2ccc(NC3=CCCN(C)C3)cc2)CC1 ZINC001175575879 794247754 /nfs/dbraw/zinc/24/77/54/794247754.db2.gz CUVKXHMJSWYZGS-UHFFFAOYSA-N 1 3 300.450 2.460 20 0 DEADHO CCOCCC[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C(C)C ZINC001176759889 794499070 /nfs/dbraw/zinc/49/90/70/794499070.db2.gz NTLWBRGNXDPXEL-MRXNPFEDSA-N 1 3 315.502 2.018 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCF ZINC001176760522 794499449 /nfs/dbraw/zinc/49/94/49/794499449.db2.gz ZSZWIADMYXSUGJ-LSDHHAIUSA-N 1 3 301.450 2.095 20 0 DEADHO Cc1ccc(CCC[NH2+]CCCNC(=O)CN(C)C(C)C)cc1 ZINC001176972246 794544979 /nfs/dbraw/zinc/54/49/79/794544979.db2.gz SJTRCZKKVGIVRB-UHFFFAOYSA-N 1 3 319.493 2.364 20 0 DEADHO CC(C)[C@@H](C(=O)NCCCCCC[NH2+]CCCF)N(C)C ZINC001178759570 794990047 /nfs/dbraw/zinc/99/00/47/794990047.db2.gz LZZJMYCVOYGEKK-HNNXBMFYSA-N 1 3 303.466 2.198 20 0 DEADHO Cc1ccc(F)c(CN[C@H]2CCN(C(=O)CC[NH+](C)C)[C@H]2C)c1 ZINC001179481939 795123081 /nfs/dbraw/zinc/12/30/81/795123081.db2.gz MOIDAMZMLVGKLO-YOEHRIQHSA-N 1 3 321.440 2.165 20 0 DEADHO C[C@@H](N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C)c1ccccc1F ZINC001179489538 795123748 /nfs/dbraw/zinc/12/37/48/795123748.db2.gz AKIULJQVXNBNEO-KEYYUXOJSA-N 1 3 321.440 2.417 20 0 DEADHO CC[C@@H](C(=O)NCCCCCC[NH2+]C/C=C/Cl)N(C)C ZINC001179609718 795142428 /nfs/dbraw/zinc/14/24/28/795142428.db2.gz YYMGPJSJFBXSNY-HBWSCVEGSA-N 1 3 303.878 2.345 20 0 DEADHO CC[C@@H](C(=O)NCCCCCC[NH2+]CC[C@H](C)F)N(C)C ZINC001179609288 795142710 /nfs/dbraw/zinc/14/27/10/795142710.db2.gz MWHMFYWPIWIPJD-GJZGRUSLSA-N 1 3 303.466 2.341 20 0 DEADHO CC[C@@H](C(=O)NCCCCCC[NH2+]Cc1ccccn1)N(C)C ZINC001179608965 795143116 /nfs/dbraw/zinc/14/31/16/795143116.db2.gz ARUFREPYHKBELS-KRWDZBQOSA-N 1 3 320.481 2.188 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(F)c2)[C@@H]1C ZINC001180226926 795259683 /nfs/dbraw/zinc/25/96/83/795259683.db2.gz UCRHYKZXZMPSFW-YOEHRIQHSA-N 1 3 321.440 2.245 20 0 DEADHO CC(C)=CC[NH2+]C1CC2(CC(NC(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001121245046 795606893 /nfs/dbraw/zinc/60/68/93/795606893.db2.gz CGSQWFLSJGVKTB-RFSHTEQGSA-N 1 3 319.493 2.310 20 0 DEADHO CC[C@H](C(=O)NC1CC2(C1)CC([NH2+]CC[C@H](C)F)C2)N(C)C ZINC001121302168 795614577 /nfs/dbraw/zinc/61/45/77/795614577.db2.gz QWBHDESVKOQSKR-BSTUBKLYSA-N 1 3 313.461 2.092 20 0 DEADHO CC(C)C[NH2+]C[C@]1(C)CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001182614146 795722424 /nfs/dbraw/zinc/72/24/24/795722424.db2.gz CFQSXVFJRLUPMJ-SOLBZPMBSA-N 1 3 309.498 2.201 20 0 DEADHO CCCN(C)CC(=O)NC1CC2(C1)CC([NH2+]C/C=C\Cl)C2 ZINC001122107045 795726516 /nfs/dbraw/zinc/72/65/16/795726516.db2.gz YGXOJWWOFOGZQS-PLNGDYQASA-N 1 3 313.873 2.098 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001183437561 795873510 /nfs/dbraw/zinc/87/35/10/795873510.db2.gz XNSLVARWVCKNMZ-ZACQAIPSSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C/C=C\Cl)C1 ZINC001183517278 795878856 /nfs/dbraw/zinc/87/88/56/795878856.db2.gz YISCAKWGIFQSDQ-SAABFPIUSA-N 1 3 315.889 2.153 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CC2)C1 ZINC001183516913 795879266 /nfs/dbraw/zinc/87/92/66/795879266.db2.gz FLZVKHWFJMCMRC-HHXXYDBFSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]C/C=C\c2ccccc2)C1)N(C)C ZINC001183582100 795896764 /nfs/dbraw/zinc/89/67/64/795896764.db2.gz SPMKAPXCIRPKGY-GCGULEOZSA-N 1 3 315.461 2.231 20 0 DEADHO CCCC[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001184565138 796084175 /nfs/dbraw/zinc/08/41/75/796084175.db2.gz FPGZNANCLGKYGD-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1C[NH2+]CCF ZINC001185170728 796202271 /nfs/dbraw/zinc/20/22/71/796202271.db2.gz RECUTEPLZGVLCX-HUUCEWRRSA-N 1 3 315.477 2.008 20 0 DEADHO CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001185204642 796211437 /nfs/dbraw/zinc/21/14/37/796211437.db2.gz KXCFJWLWKRSYOK-SGFLJFKBSA-N 1 3 318.465 2.383 20 0 DEADHO CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001185204644 796211528 /nfs/dbraw/zinc/21/15/28/796211528.db2.gz KXCFJWLWKRSYOK-UDLYIEAKSA-N 1 3 318.465 2.383 20 0 DEADHO CCC[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001185380723 796245375 /nfs/dbraw/zinc/24/53/75/796245375.db2.gz MFYPROVQLGWPPY-DLBZAZTESA-N 1 3 309.498 2.203 20 0 DEADHO C[NH+](C)CCC(=O)N1CC[C@@H](NCc2ccc(Cl)s2)C1 ZINC001185401332 796250175 /nfs/dbraw/zinc/25/01/75/796250175.db2.gz OSRYWCJGWUDTOT-LLVKDONJSA-N 1 3 315.870 2.044 20 0 DEADHO C[NH+]1CC2(C1)CCN(Cc1cnn(Cc3ccccc3)c1)CC2 ZINC001138767328 796272703 /nfs/dbraw/zinc/27/27/03/796272703.db2.gz PDJBALUAWJODCS-UHFFFAOYSA-N 1 3 310.445 2.459 20 0 DEADHO Cc1ccc(C(F)(F)F)cc1C(=O)N(CCCC[NH3+])C(=N)N ZINC001186269651 796382598 /nfs/dbraw/zinc/38/25/98/796382598.db2.gz XGPAKPPSTLKYMA-UHFFFAOYSA-N 1 3 316.327 2.088 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](NC/C=C\Cl)C2)CC1 ZINC001186739004 796436349 /nfs/dbraw/zinc/43/63/49/796436349.db2.gz LLVXSKASHHDXMB-YFUKIHRRSA-N 1 3 313.873 2.050 20 0 DEADHO COc1ccc2[nH]nc(CN3CCC(C[NH+](C)C)CC3)c2c1 ZINC001140068258 796473445 /nfs/dbraw/zinc/47/34/45/796473445.db2.gz DABSLLBYUARULB-UHFFFAOYSA-N 1 3 302.422 2.345 20 0 DEADHO COc1ccc2n[nH]c(CN3CCC(C[NH+](C)C)CC3)c2c1 ZINC001140068258 796473448 /nfs/dbraw/zinc/47/34/48/796473448.db2.gz DABSLLBYUARULB-UHFFFAOYSA-N 1 3 302.422 2.345 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[C@@H]([NH2+]CC(C)C)C12CCC2 ZINC001203100892 796647186 /nfs/dbraw/zinc/64/71/86/796647186.db2.gz BGYWGXOMINIHEG-HUUCEWRRSA-N 1 3 309.498 2.390 20 0 DEADHO O=C(CCCC[NH+]1CCCC1)N1CC[C@@H](NC/C=C/Cl)C1 ZINC001188346350 796660184 /nfs/dbraw/zinc/66/01/84/796660184.db2.gz JRYVIJFATWLFDR-SBJJXXPASA-N 1 3 313.873 2.196 20 0 DEADHO CN(Cc1cc(F)cc2c1OCOC2)CC1CC[NH+](C)CC1 ZINC001141396385 796662748 /nfs/dbraw/zinc/66/27/48/796662748.db2.gz NJYJBAGWFMFIOS-UHFFFAOYSA-N 1 3 308.397 2.466 20 0 DEADHO CC(C)[N@H+]1CC=C(CCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001161219895 796694608 /nfs/dbraw/zinc/69/46/08/796694608.db2.gz PVLVZLPPVSQUFL-UHFFFAOYSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)[N@@H+]1CC=C(CCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001161219895 796694611 /nfs/dbraw/zinc/69/46/11/796694611.db2.gz PVLVZLPPVSQUFL-UHFFFAOYSA-N 1 3 307.482 2.265 20 0 DEADHO CCOC(=O)COc1cccc(CN2CCCC[C@H](C[NH3+])C2)c1 ZINC001206639022 797014256 /nfs/dbraw/zinc/01/42/56/797014256.db2.gz APBRWSFNQZKYJH-MRXNPFEDSA-N 1 3 320.433 2.189 20 0 DEADHO C[C@H](NCCNC(=O)CC[NH+]1CCCCC1)c1cccc(F)c1 ZINC001152347442 797174440 /nfs/dbraw/zinc/17/44/40/797174440.db2.gz GHXGWMWGBBJNRQ-HNNXBMFYSA-N 1 3 321.440 2.469 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NCC[NH2+]CCCCCF ZINC001152393167 797182692 /nfs/dbraw/zinc/18/26/92/797182692.db2.gz FHCMWWCOPFWPRK-UHFFFAOYSA-N 1 3 309.429 2.207 20 0 DEADHO CC(C)[C@@H](C(=O)NCCNCc1ccsc1)[NH+]1CCCCC1 ZINC001152480634 797194334 /nfs/dbraw/zinc/19/43/34/797194334.db2.gz YFIKLQAFKVNXNO-INIZCTEOSA-N 1 3 323.506 2.464 20 0 DEADHO CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001192342701 797366346 /nfs/dbraw/zinc/36/63/46/797366346.db2.gz KBQUFKCKDWIOJH-NVXWUHKLSA-N 1 3 309.498 2.440 20 0 DEADHO CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001192342701 797366352 /nfs/dbraw/zinc/36/63/52/797366352.db2.gz KBQUFKCKDWIOJH-NVXWUHKLSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)CCCCCF)C1 ZINC001192343517 797366582 /nfs/dbraw/zinc/36/65/82/797366582.db2.gz PWWNXQYMIOTBPU-HZPDHXFCSA-N 1 3 313.461 2.143 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)CCCCCF)C1 ZINC001192343517 797366590 /nfs/dbraw/zinc/36/65/90/797366590.db2.gz PWWNXQYMIOTBPU-HZPDHXFCSA-N 1 3 313.461 2.143 20 0 DEADHO CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001192353231 797370904 /nfs/dbraw/zinc/37/09/04/797370904.db2.gz BSBZVZZJGUWIBC-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001192353231 797370911 /nfs/dbraw/zinc/37/09/11/797370911.db2.gz BSBZVZZJGUWIBC-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001192356177 797372886 /nfs/dbraw/zinc/37/28/86/797372886.db2.gz WVXFYJUENJYILY-DOTOQJQBSA-N 1 3 309.498 2.297 20 0 DEADHO CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001192356177 797372892 /nfs/dbraw/zinc/37/28/92/797372892.db2.gz WVXFYJUENJYILY-DOTOQJQBSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CC[N@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001192386888 797378505 /nfs/dbraw/zinc/37/85/05/797378505.db2.gz SQUFQVZVJSLMHN-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001192386888 797378510 /nfs/dbraw/zinc/37/85/10/797378510.db2.gz SQUFQVZVJSLMHN-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H]1CCN(Cc2cn(C)nc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC001205638714 797595550 /nfs/dbraw/zinc/59/55/50/797595550.db2.gz RHHFPMPDUFZZRH-QWRGUYRKSA-N 1 3 304.360 2.246 20 0 DEADHO CC[N@H+](CC[C@H](C)F)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001155086008 797677256 /nfs/dbraw/zinc/67/72/56/797677256.db2.gz XRILXTQFSNBHFC-RRFJBIMHSA-N 1 3 303.466 2.147 20 0 DEADHO CC[N@@H+](CC[C@H](C)F)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001155086008 797677261 /nfs/dbraw/zinc/67/72/61/797677261.db2.gz XRILXTQFSNBHFC-RRFJBIMHSA-N 1 3 303.466 2.147 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC=C(C)C)C1 ZINC001194266338 797702580 /nfs/dbraw/zinc/70/25/80/797702580.db2.gz PAOBYJNSRUJIQF-SJORKVTESA-N 1 3 307.482 2.360 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC=C(C)C)C1 ZINC001194266338 797702584 /nfs/dbraw/zinc/70/25/84/797702584.db2.gz PAOBYJNSRUJIQF-SJORKVTESA-N 1 3 307.482 2.360 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)CC2CC3(CCC3)C2)C1 ZINC001194295498 797710696 /nfs/dbraw/zinc/71/06/96/797710696.db2.gz QLXPBBFUXLWQDR-KRWDZBQOSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)CC2CC3(CCC3)C2)C1 ZINC001194295498 797710699 /nfs/dbraw/zinc/71/06/99/797710699.db2.gz QLXPBBFUXLWQDR-KRWDZBQOSA-N 1 3 321.509 2.440 20 0 DEADHO CCN(Cc1ccsc1)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001156890500 798102571 /nfs/dbraw/zinc/10/25/71/798102571.db2.gz NFNFFTWEJPSTMQ-HIFRSBDPSA-N 1 3 309.479 2.026 20 0 DEADHO CCN(Cc1ccsc1)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001156890500 798102576 /nfs/dbraw/zinc/10/25/76/798102576.db2.gz NFNFFTWEJPSTMQ-HIFRSBDPSA-N 1 3 309.479 2.026 20 0 DEADHO CCCC[NH+](CCCC)CCNc1ncc2c(n1)CCNC2 ZINC001156904932 798105984 /nfs/dbraw/zinc/10/59/84/798105984.db2.gz LCBSHCFYUZZOKT-UHFFFAOYSA-N 1 3 305.470 2.436 20 0 DEADHO CC(C)[C@H](C(=O)N1CCCN(CCCCCF)CC1)[NH+](C)C ZINC001197049814 798138466 /nfs/dbraw/zinc/13/84/66/798138466.db2.gz WJICOQAFHSQZJZ-MRXNPFEDSA-N 1 3 315.477 2.247 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[N@H+](CCCCCF)CC1)N(C)C ZINC001197049814 798138469 /nfs/dbraw/zinc/13/84/69/798138469.db2.gz WJICOQAFHSQZJZ-MRXNPFEDSA-N 1 3 315.477 2.247 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[N@@H+](CCCCCF)CC1)N(C)C ZINC001197049814 798138470 /nfs/dbraw/zinc/13/84/70/798138470.db2.gz WJICOQAFHSQZJZ-MRXNPFEDSA-N 1 3 315.477 2.247 20 0 DEADHO N=C(NCCCC[NH3+])Nc1nc(Cl)nc2ccc(F)cc21 ZINC001157094455 798142983 /nfs/dbraw/zinc/14/29/83/798142983.db2.gz QBFSCWJBSJEEDJ-UHFFFAOYSA-N 1 3 310.764 2.097 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[N@H+](CCCCCF)CC2)C1 ZINC001197158416 798157888 /nfs/dbraw/zinc/15/78/88/798157888.db2.gz PFUZGGMQDDFGDK-MRXNPFEDSA-N 1 3 313.461 2.002 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[N@@H+](CCCCCF)CC2)C1 ZINC001197158416 798157890 /nfs/dbraw/zinc/15/78/90/798157890.db2.gz PFUZGGMQDDFGDK-MRXNPFEDSA-N 1 3 313.461 2.002 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(c3ncccc3CN3CCCC3)C[C@@H]21 ZINC001157281332 798176565 /nfs/dbraw/zinc/17/65/65/798176565.db2.gz FTWJSQSOOCFCBY-WBVHZDCISA-N 1 3 300.450 2.208 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(c3ncccc3CN3CCCC3)C[C@@H]21 ZINC001157281332 798176566 /nfs/dbraw/zinc/17/65/66/798176566.db2.gz FTWJSQSOOCFCBY-WBVHZDCISA-N 1 3 300.450 2.208 20 0 DEADHO C[C@@H](F)CCN1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197885956 798253224 /nfs/dbraw/zinc/25/32/24/798253224.db2.gz LRFZHLHRZGBXMQ-OAHLLOKOSA-N 1 3 301.450 2.001 20 0 DEADHO CC(C)N(C)CC(=O)NCC[NH2+]Cc1ccc2ccccc2c1 ZINC001152433041 798308473 /nfs/dbraw/zinc/30/84/73/798308473.db2.gz RPTKYJVBLAMEDN-UHFFFAOYSA-N 1 3 313.445 2.386 20 0 DEADHO N[C@@H](CCCc1ccccc1)C(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158082245 798339184 /nfs/dbraw/zinc/33/91/84/798339184.db2.gz MPAVOXWYJTVESA-KRWDZBQOSA-N 1 3 315.461 2.067 20 0 DEADHO N[C@@H](CCCc1ccccc1)C(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158160988 798352070 /nfs/dbraw/zinc/35/20/70/798352070.db2.gz NNNQWVKSUNUSCA-HKUYNNGSSA-N 1 3 315.461 2.081 20 0 DEADHO CN1CCN(c2nccc(C3CC[NH2+]CC3)n2)C2(CCCC2)C1 ZINC001158409846 798402613 /nfs/dbraw/zinc/40/26/13/798402613.db2.gz CKSVOZLJJNRBLA-UHFFFAOYSA-N 1 3 315.465 2.008 20 0 DEADHO CCCc1ccnc(N(C2CC[NH2+]CC2)C2CCN(C)CC2)n1 ZINC001158581887 798432910 /nfs/dbraw/zinc/43/29/10/798432910.db2.gz ZXTYMFMMCDYFAZ-UHFFFAOYSA-N 1 3 317.481 2.082 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([NH2+]Cc2ccsc2)CC1 ZINC001203925460 798439383 /nfs/dbraw/zinc/43/93/83/798439383.db2.gz OHIVOEOSUMYFSY-UHFFFAOYSA-N 1 3 309.479 2.169 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)C2(N(C)C)CCC2)cc1 ZINC001159846738 798617690 /nfs/dbraw/zinc/61/76/90/798617690.db2.gz SSCFWBNSEOGSDD-UHFFFAOYSA-N 1 3 303.450 2.075 20 0 DEADHO CN(CC(=O)NCCC[NH2+]Cc1cccc(Cl)c1)C1CCC1 ZINC001159997384 798637957 /nfs/dbraw/zinc/63/79/57/798637957.db2.gz OJTSNACQIBWPFE-UHFFFAOYSA-N 1 3 323.868 2.420 20 0 DEADHO CN(CCN1CCCC1)C(=O)[C@H]1C[C@H](c2ccccc2)CC[NH2+]1 ZINC001160687878 798723004 /nfs/dbraw/zinc/72/30/04/798723004.db2.gz JPCBXBMZLHSUFW-QZTJIDSGSA-N 1 3 315.461 2.076 20 0 DEADHO CN(CC[NH+]1CCCC1)C(=O)[C@H]1C[C@H](c2ccccc2)CCN1 ZINC001160687878 798723008 /nfs/dbraw/zinc/72/30/08/798723008.db2.gz JPCBXBMZLHSUFW-QZTJIDSGSA-N 1 3 315.461 2.076 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+]CCCc1cccc(F)c1)N(C)C ZINC001160883491 798755014 /nfs/dbraw/zinc/75/50/14/798755014.db2.gz OTVJBLTUEDJTJL-QGZVFWFLSA-N 1 3 323.456 2.194 20 0 DEADHO C[C@@H](CC(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001161442715 798860796 /nfs/dbraw/zinc/86/07/96/798860796.db2.gz FRXVSNZLKZKRAV-FUHWJXTLSA-N 1 3 317.477 2.322 20 0 DEADHO C[C@@]1(C[NH3+])CCCN(C(=O)[C@H](N)C23CC4CC(CC(C4)C2)C3)C1 ZINC001161489220 798869096 /nfs/dbraw/zinc/86/90/96/798869096.db2.gz RPDRVNCBRRGBGG-NFMSXFNJSA-N 1 3 319.493 2.118 20 0 DEADHO CN1CCN(CCCNc2ccc([C@H]3CCC[NH2+]3)cc2)CC1 ZINC001161708885 798919109 /nfs/dbraw/zinc/91/91/09/798919109.db2.gz WGNWONBPHBABLM-GOSISDBHSA-N 1 3 302.466 2.161 20 0 DEADHO CN1CCN(CCCNc2ccc([C@@H]3CC[N@H+](C)C3)cc2)CC1 ZINC001161710227 798920742 /nfs/dbraw/zinc/92/07/42/798920742.db2.gz ARQFRSZVIBKJQU-GOSISDBHSA-N 1 3 316.493 2.155 20 0 DEADHO CN1CCN(CCCNc2ccc([C@@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC001161710227 798920743 /nfs/dbraw/zinc/92/07/43/798920743.db2.gz ARQFRSZVIBKJQU-GOSISDBHSA-N 1 3 316.493 2.155 20 0 DEADHO CCCN(C)CC(=O)NCCC1=CC[N@H+](CC=C(C)C)CC1 ZINC001161755227 798929689 /nfs/dbraw/zinc/92/96/89/798929689.db2.gz RKHGNAOUYKAGPG-UHFFFAOYSA-N 1 3 307.482 2.433 20 0 DEADHO CCCN(C)CC(=O)NCCC1=CC[N@@H+](CC=C(C)C)CC1 ZINC001161755227 798929695 /nfs/dbraw/zinc/92/96/95/798929695.db2.gz RKHGNAOUYKAGPG-UHFFFAOYSA-N 1 3 307.482 2.433 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]CCCCCF)CC2)C1 ZINC001202496270 798985715 /nfs/dbraw/zinc/98/57/15/798985715.db2.gz QSRWUBKKIJQHBV-OAHLLOKOSA-N 1 3 313.461 2.049 20 0 DEADHO CN(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21)C1CC1 ZINC001114409283 799093419 /nfs/dbraw/zinc/09/34/19/799093419.db2.gz JAJGCNUNAGUGJX-LTIDMASMSA-N 1 3 321.509 2.199 20 0 DEADHO CN(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21)C1CC1 ZINC001114409283 799093427 /nfs/dbraw/zinc/09/34/27/799093427.db2.gz JAJGCNUNAGUGJX-LTIDMASMSA-N 1 3 321.509 2.199 20 0 DEADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCC3)C[C@H]21)C1CCC1 ZINC001114414377 799094988 /nfs/dbraw/zinc/09/49/88/799094988.db2.gz SCSUYEQGUYJDDO-DZFIZOCASA-N 1 3 319.493 2.097 20 0 DEADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21)C1CCC1 ZINC001114414377 799094994 /nfs/dbraw/zinc/09/49/94/799094994.db2.gz SCSUYEQGUYJDDO-DZFIZOCASA-N 1 3 319.493 2.097 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21)N(C)C ZINC001114442693 799113714 /nfs/dbraw/zinc/11/37/14/799113714.db2.gz MBLQRNGNVDMAFQ-JJXSEGSLSA-N 1 3 309.498 2.055 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21)N(C)C ZINC001114442693 799113717 /nfs/dbraw/zinc/11/37/17/799113717.db2.gz MBLQRNGNVDMAFQ-JJXSEGSLSA-N 1 3 309.498 2.055 20 0 DEADHO CCN(CC)CCNC(=[NH2+])Nc1nc(C)cc2cccnc21 ZINC001163130097 799254484 /nfs/dbraw/zinc/25/44/84/799254484.db2.gz VAGCZEUWUYCIKX-UHFFFAOYSA-N 1 3 300.410 2.216 20 0 DEADHO Cc1nc2ccc(NC[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)cc2[nH]1 ZINC001163279546 799296867 /nfs/dbraw/zinc/29/68/67/799296867.db2.gz NDTLTDRCGDGIGR-DYVFJYSZSA-N 1 3 300.406 2.442 20 0 DEADHO NCc1cc(NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)ncn1 ZINC001163315137 799308177 /nfs/dbraw/zinc/30/81/77/799308177.db2.gz KGOCHDGSPSIYQG-CQSZACIVSA-N 1 3 301.438 2.168 20 0 DEADHO c1ccc(-c2cnccc2N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001163329419 799313044 /nfs/dbraw/zinc/31/30/44/799313044.db2.gz YHDPUYQCMLXMIP-LPHOPBHVSA-N 1 3 309.413 2.494 20 0 DEADHO CC(C)N(CCC[NH3+])c1ccc(N2CCN(C(C)C)CC2)nc1 ZINC001164122987 799516028 /nfs/dbraw/zinc/51/60/28/799516028.db2.gz UVROKHKSFDKDIK-UHFFFAOYSA-N 1 3 319.497 2.176 20 0 DEADHO Cc1nc2c(c(NCC3(N(C)C)CC[NH+](C)CC3)n1)CCCC2 ZINC001164210726 799539415 /nfs/dbraw/zinc/53/94/15/799539415.db2.gz HUYVDIZUSNVXOG-UHFFFAOYSA-N 1 3 317.481 2.102 20 0 DEADHO CC(C)[N@@H+]1CCN(c2cc(Cl)nc3c2CCNC3)C[C@H]1C ZINC001165200410 799671147 /nfs/dbraw/zinc/67/11/47/799671147.db2.gz XOZFGVLQXVEOBK-GFCCVEGCSA-N 1 3 308.857 2.300 20 0 DEADHO CC(C)[N@H+]1CCN(c2cc(Cl)nc3c2CCNC3)C[C@H]1C ZINC001165200410 799671151 /nfs/dbraw/zinc/67/11/51/799671151.db2.gz XOZFGVLQXVEOBK-GFCCVEGCSA-N 1 3 308.857 2.300 20 0 DEADHO Cc1nc(N2CCCC2)cc(N2CCC3(CCCC[NH2+]3)CC2)n1 ZINC001165246349 799685353 /nfs/dbraw/zinc/68/53/53/799685353.db2.gz IIUAKRBSMBBIMT-UHFFFAOYSA-N 1 3 315.465 2.498 20 0 DEADHO Nc1cccc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)n1 ZINC001165303512 799701713 /nfs/dbraw/zinc/70/17/13/799701713.db2.gz IVJNCZOREFOGBA-SNVBAGLBSA-N 1 3 300.328 2.317 20 0 DEADHO c1ccc(CN2CC(CNc3ccc4c(n3)OCC[NH2+]C4)C2)cc1 ZINC001165427592 799728238 /nfs/dbraw/zinc/72/82/38/799728238.db2.gz QNGJMVUYZCFGMV-UHFFFAOYSA-N 1 3 324.428 2.108 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC1(C[NH2+]CC2CC(C)C2)CC1)N(C)C ZINC001165616822 799752040 /nfs/dbraw/zinc/75/20/40/799752040.db2.gz CFKJZVBWDCWWDN-JCYILVPMSA-N 1 3 323.525 2.495 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC1)N(CC)CC ZINC001111018393 799833163 /nfs/dbraw/zinc/83/31/63/799833163.db2.gz SRBSQKQEAFZJTQ-NCOADZHNSA-N 1 3 307.482 2.238 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC1)N(CC)CC ZINC001111018393 799833164 /nfs/dbraw/zinc/83/31/64/799833164.db2.gz SRBSQKQEAFZJTQ-NCOADZHNSA-N 1 3 307.482 2.238 20 0 DEADHO C[C@@H]([NH2+]CCCNC(=O)CN1CCC[C@H]1C)c1ccccc1 ZINC001166627409 799904626 /nfs/dbraw/zinc/90/46/26/799904626.db2.gz VBTKSWKXEOGBAP-HZPDHXFCSA-N 1 3 303.450 2.328 20 0 DEADHO Cc1cccc(C)c1C[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166667977 799915768 /nfs/dbraw/zinc/91/57/68/799915768.db2.gz NBZJGNVUFDPNAN-OAHLLOKOSA-N 1 3 317.477 2.241 20 0 DEADHO CC[C@H](C)C[NH2+]CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001166687214 799922136 /nfs/dbraw/zinc/92/21/36/799922136.db2.gz JDBYJFZPKSUJIS-WMLDXEAASA-N 1 3 315.477 2.341 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001166858310 799966947 /nfs/dbraw/zinc/96/69/47/799966947.db2.gz OYSALOURFIGKFS-HNNXBMFYSA-N 1 3 311.857 2.276 20 0 DEADHO c1ccc(CN2CCC(COCC[NH+]3CCCC3)CC2)nc1 ZINC001204055948 800164727 /nfs/dbraw/zinc/16/47/27/800164727.db2.gz REDLHIRFNZZFGL-UHFFFAOYSA-N 1 3 303.450 2.406 20 0 DEADHO CCN(Cc1ccc(OCCC[NH+](C)C)cc1)C1CN(C)C1 ZINC001204271109 800197048 /nfs/dbraw/zinc/19/70/48/800197048.db2.gz DSBOKEBXDGSNLA-UHFFFAOYSA-N 1 3 305.466 2.153 20 0 DEADHO CC(C)N1CCN(CCC[NH2+][C@@H]2CCOC23CCCCC3)CC1 ZINC000933869898 800200404 /nfs/dbraw/zinc/20/04/04/800200404.db2.gz GSPXALQCZXKQLR-GOSISDBHSA-N 1 3 323.525 2.484 20 0 DEADHO Cc1ccc(Cl)cc1N1CCN(CC[C@H]2C[NH2+]CCO2)CC1 ZINC001204897362 800272108 /nfs/dbraw/zinc/27/21/08/800272108.db2.gz YNDXTBWGBMLXKV-INIZCTEOSA-N 1 3 323.868 2.149 20 0 DEADHO CCOc1ccc(CN2CCC[C@@](O)(C[NH3+])CC2)c(OCC)c1 ZINC001205219778 800320775 /nfs/dbraw/zinc/32/07/75/800320775.db2.gz HQLVFGGKBVWNFF-SFHVURJKSA-N 1 3 322.449 2.160 20 0 DEADHO [NH3+]C[C@@]1(O)CCCN(Cc2cccc(-c3cccs3)n2)CC1 ZINC001205249370 800330213 /nfs/dbraw/zinc/33/02/13/800330213.db2.gz XIWDRENQAVBCDK-QGZVFWFLSA-N 1 3 317.458 2.486 20 0 DEADHO COC(=O)c1ccc(CN2CCC[C@](F)(C[NH3+])CC2)c(F)c1 ZINC001205571791 800378801 /nfs/dbraw/zinc/37/88/01/800378801.db2.gz XVWQBUWBVVLPLV-MRXNPFEDSA-N 1 3 312.360 2.265 20 0 DEADHO C[C@@H]1CCN(Cc2cnnn2Cc2ccccc2)CC[C@H]1C[NH3+] ZINC001205638551 800391478 /nfs/dbraw/zinc/39/14/78/800391478.db2.gz PDAJWFDNXKOKNI-WBVHZDCISA-N 1 3 313.449 2.133 20 0 DEADHO C[C@@H]1CCN(Cc2cnn3ccc(Cl)nc23)CC[C@@H]1C[NH3+] ZINC001205651956 800394048 /nfs/dbraw/zinc/39/40/48/800394048.db2.gz MNBJXQCGWFWHFG-VXGBXAGGSA-N 1 3 307.829 2.190 20 0 DEADHO CC(C)CC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001206170008 800483921 /nfs/dbraw/zinc/48/39/21/800483921.db2.gz WSGYPAUCGVBXNY-QGZVFWFLSA-N 1 3 311.514 2.447 20 0 DEADHO C[C@@]1(C[NH3+])CCCN(Cc2ccc(C(F)(F)F)nn2)CC1 ZINC001206311954 800507079 /nfs/dbraw/zinc/50/70/79/800507079.db2.gz XIMACRAPDFRNNS-CYBMUJFWSA-N 1 3 302.344 2.446 20 0 DEADHO COc1cc(C)ccc1CN1CC[C@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001206756651 800584634 /nfs/dbraw/zinc/58/46/34/800584634.db2.gz WPRLOFKFLZRSAL-ZWKOTPCHSA-N 1 3 317.477 2.214 20 0 DEADHO COc1cc(C)ccc1CN1CC[C@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001206756651 800584637 /nfs/dbraw/zinc/58/46/37/800584637.db2.gz WPRLOFKFLZRSAL-ZWKOTPCHSA-N 1 3 317.477 2.214 20 0 DEADHO CC(=O)c1ccc(N2CCN(CC3CC[NH2+]CC3)CC2)cc1 ZINC001207439397 800752013 /nfs/dbraw/zinc/75/20/13/800752013.db2.gz RTNNIXHYIQYTLZ-UHFFFAOYSA-N 1 3 301.434 2.011 20 0 DEADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1CN2CC1CC[NH2+]CC1 ZINC001207441693 800753340 /nfs/dbraw/zinc/75/33/40/800753340.db2.gz KPDFSVMLTZMSGE-GJZGRUSLSA-N 1 3 309.454 2.070 20 0 DEADHO CC[NH+](CC)CCCN1CCN(CC[C@@H](C)SC)CC1 ZINC001208146948 800921312 /nfs/dbraw/zinc/92/13/12/800921312.db2.gz KEEXLRFQBYXDKW-MRXNPFEDSA-N 1 3 301.544 2.478 20 0 DEADHO CC1=C[C@@H](C)[C@@H](C[N@H+]2CCC(=O)N(CCN(C)C)CC2)CC1 ZINC001208182829 800925847 /nfs/dbraw/zinc/92/58/47/800925847.db2.gz VMIGBBLKOBEENX-IAGOWNOFSA-N 1 3 307.482 2.075 20 0 DEADHO CC1=C[C@@H](C)[C@@H](C[N@@H+]2CCC(=O)N(CCN(C)C)CC2)CC1 ZINC001208182829 800925849 /nfs/dbraw/zinc/92/58/49/800925849.db2.gz VMIGBBLKOBEENX-IAGOWNOFSA-N 1 3 307.482 2.075 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCC(C)(C)C)C1)C1CC1 ZINC001208333909 800957551 /nfs/dbraw/zinc/95/75/51/800957551.db2.gz AGNZYGJGGXRVRG-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1CN(C[C@H]2CCC[N@H+](C)C2)CCC[C@@]1(O)C(F)(F)F ZINC001208608157 801029439 /nfs/dbraw/zinc/02/94/39/801029439.db2.gz QKFPAHPBUNFUPS-RDBSUJKOSA-N 1 3 308.388 2.354 20 0 DEADHO C[C@@H]1CN(C[C@H]2CCC[N@@H+](C)C2)CCC[C@@]1(O)C(F)(F)F ZINC001208608157 801029445 /nfs/dbraw/zinc/02/94/45/801029445.db2.gz QKFPAHPBUNFUPS-RDBSUJKOSA-N 1 3 308.388 2.354 20 0 DEADHO CC[C@@H](CCC(=O)OC)CN1CCN(c2cc[nH+]cc2)CC1 ZINC001208781264 801068632 /nfs/dbraw/zinc/06/86/32/801068632.db2.gz XNBNZELZWMVOIG-HNNXBMFYSA-N 1 3 305.422 2.183 20 0 DEADHO COC(=O)[C@@H]1CCCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208948986 801100405 /nfs/dbraw/zinc/10/04/05/801100405.db2.gz UTRGEWQIPPSASK-ZWKOTPCHSA-N 1 3 316.445 2.394 20 0 DEADHO COC(=O)[C@@H]1CCCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208948986 801100408 /nfs/dbraw/zinc/10/04/08/801100408.db2.gz UTRGEWQIPPSASK-ZWKOTPCHSA-N 1 3 316.445 2.394 20 0 DEADHO COCOCCCN1C[C@@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001209026839 801113831 /nfs/dbraw/zinc/11/38/31/801113831.db2.gz VWUPTJZLBCRGCY-RTBURBONSA-N 1 3 318.461 2.369 20 0 DEADHO Cc1cc(CN2CCC(NC(=O)CC[NH+](C)C)CC2)c(C)s1 ZINC001229007755 801207586 /nfs/dbraw/zinc/20/75/86/801207586.db2.gz DVIGGTBFIXUPHI-UHFFFAOYSA-N 1 3 323.506 2.397 20 0 DEADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]([NH2+]C/C=C/Cl)C2)C1 ZINC001209660154 801249029 /nfs/dbraw/zinc/24/90/29/801249029.db2.gz NCQUBZSJLDYPRD-BTKRWWFXSA-N 1 3 313.873 2.051 20 0 DEADHO CC/C=C/CC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001214860893 801768553 /nfs/dbraw/zinc/76/85/53/801768553.db2.gz ATLFQSJHAZMFEE-AMFYOEQGSA-N 1 3 307.482 2.264 20 0 DEADHO CCN(CCN1CCOCC1)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232146043 801799430 /nfs/dbraw/zinc/79/94/30/801799430.db2.gz HGJLFXLMIWIUEL-UHFFFAOYSA-N 1 3 323.456 2.041 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]CCC1CC1 ZINC001215563254 801877854 /nfs/dbraw/zinc/87/78/54/801877854.db2.gz CNYSYEYQAKNTMS-GDBMZVCRSA-N 1 3 309.498 2.201 20 0 DEADHO Cc1ccc(C[NH3+])cc1-c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001217099516 802044894 /nfs/dbraw/zinc/04/48/94/802044894.db2.gz TYUQLFBHRHYXEQ-UHFFFAOYSA-N 1 3 321.384 2.211 20 0 DEADHO c1ccc2c(c1)CNC[C@@H]2OC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001217941822 802120687 /nfs/dbraw/zinc/12/06/87/802120687.db2.gz TVKAYRKFTAGJCV-RDJZCZTQSA-N 1 3 302.418 2.006 20 0 DEADHO CN(C)c1ccncc1NC(=O)[C@@H]1C[NH2+]C[C@@H](c2ccccc2)C1 ZINC001218562882 802205751 /nfs/dbraw/zinc/20/57/51/802205751.db2.gz FNUQTERRAWOGHJ-HOTGVXAUSA-N 1 3 324.428 2.479 20 0 DEADHO O=C(Nc1ccc([C@H]2CC[NH2+]C2)cc1)c1ccc2c(n1)CCNC2 ZINC001218997839 802273304 /nfs/dbraw/zinc/27/33/04/802273304.db2.gz HYLVBHQEIARIQY-AWEZNQCLSA-N 1 3 322.412 2.057 20 0 DEADHO [NH3+]Cc1ccc(NC(=O)c2csc([C@H]3CCCN3)n2)cc1 ZINC001219349087 802316440 /nfs/dbraw/zinc/31/64/40/802316440.db2.gz BSGMUPXFJOMIMA-GFCCVEGCSA-N 1 3 302.403 2.279 20 0 DEADHO Cc1ccc(CCCNC(=O)[C@@H](N)CCCC[NH+](C)C)s1 ZINC001219719098 802372856 /nfs/dbraw/zinc/37/28/56/802372856.db2.gz XGMJHMGOEQIQFG-HNNXBMFYSA-N 1 3 311.495 2.165 20 0 DEADHO CC(C)C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1ccccc1 ZINC001220031588 802403874 /nfs/dbraw/zinc/40/38/74/802403874.db2.gz YBWSQBYALVUDTF-ZIFCJYIRSA-N 1 3 315.461 2.089 20 0 DEADHO C[NH2+]CCNC(=O)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001220051235 802406988 /nfs/dbraw/zinc/40/69/88/802406988.db2.gz PMBBRHRLTFFZEI-UHFFFAOYSA-N 1 3 323.440 2.043 20 0 DEADHO CC(C)(NC(=O)[C@@H](N)CCC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC001220065224 802408788 /nfs/dbraw/zinc/40/87/88/802408788.db2.gz BQYLUBWLTOAPCD-LBPRGKRZSA-N 1 3 317.355 2.123 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1CCC[C@H](c2ccccc2)N1 ZINC001220254684 802432517 /nfs/dbraw/zinc/43/25/17/802432517.db2.gz URWYODDJEYHVPP-KURKYZTESA-N 1 3 315.461 2.470 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1CCC[C@H](c2ccccc2)N1 ZINC001220254684 802432525 /nfs/dbraw/zinc/43/25/25/802432525.db2.gz URWYODDJEYHVPP-KURKYZTESA-N 1 3 315.461 2.470 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@H]1CCCC(F)(F)C1 ZINC001220310699 802444131 /nfs/dbraw/zinc/44/41/31/802444131.db2.gz DVXKOHZDDWAIBU-STQMWFEESA-N 1 3 305.413 2.176 20 0 DEADHO N[C@@H](CCC[NH3+])C(=O)NCc1cccc(-c2ccc(F)cc2)c1 ZINC001220959909 802515639 /nfs/dbraw/zinc/51/56/39/802515639.db2.gz BQRFFLDEEQDFHD-KRWDZBQOSA-N 1 3 315.392 2.175 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@H](c1cccnc1)C(C)C ZINC001221381610 802564482 /nfs/dbraw/zinc/56/44/82/802564482.db2.gz BMTAXXYKYCMPOF-IRXDYDNUSA-N 1 3 320.481 2.391 20 0 DEADHO CC[C@H](C)C[NH+]1CCC(CNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001224535164 802879025 /nfs/dbraw/zinc/87/90/25/802879025.db2.gz DEVWPFBAUYDSJN-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H](C)F ZINC001227149856 803208735 /nfs/dbraw/zinc/20/87/35/803208735.db2.gz GHBWQSAROMCNIL-RBSFLKMASA-N 1 3 315.477 2.482 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\Cl ZINC001227150364 803208841 /nfs/dbraw/zinc/20/88/41/803208841.db2.gz OZIBPBWBKWHQGM-RDNHTORASA-N 1 3 315.889 2.486 20 0 DEADHO CN(C)[C@@H](C(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1CC1 ZINC001227797318 803281318 /nfs/dbraw/zinc/28/13/18/803281318.db2.gz HCFOIBPEEPFDIC-GOSISDBHSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCCF)N(C)C ZINC001228661475 803389381 /nfs/dbraw/zinc/38/93/81/803389381.db2.gz VRAOSLWOOKRPRS-OAGGEKHMSA-N 1 3 315.477 2.483 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC12CC[NH+](C[C@@H](C)CC)CC2 ZINC001417960221 1167328493 /nfs/dbraw/zinc/32/84/93/1167328493.db2.gz ZYZHLZRYLFDGGX-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)c1ccccc1C ZINC001418298801 1167560009 /nfs/dbraw/zinc/56/00/09/1167560009.db2.gz LPKRWSXDVTVCKK-HZPDHXFCSA-N 1 3 305.466 2.492 20 0 DEADHO Cc1cc(C)cc(CN2CC[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001370017223 1149349965 /nfs/dbraw/zinc/34/99/65/1149349965.db2.gz NCLAAYAETZAINI-SFHVURJKSA-N 1 3 317.477 2.336 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C1 ZINC001370058422 1149370877 /nfs/dbraw/zinc/37/08/77/1149370877.db2.gz DPLXBJBWTBGILZ-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C1 ZINC001370058422 1149370880 /nfs/dbraw/zinc/37/08/80/1149370880.db2.gz DPLXBJBWTBGILZ-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]C(C)C ZINC001419255897 1168351753 /nfs/dbraw/zinc/35/17/53/1168351753.db2.gz YJPBRKCRAIIEJH-CJNGLKHVSA-N 1 3 301.450 2.092 20 0 DEADHO CN(C(=O)CCNC[C@H]1CCCC[N@H+](C)C1)c1ccccc1 ZINC001336022413 1150593205 /nfs/dbraw/zinc/59/32/05/1150593205.db2.gz XXSOVSQKAYQGDC-MRXNPFEDSA-N 1 3 303.450 2.361 20 0 DEADHO CN(C(=O)CCNC[C@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC001336022413 1150593219 /nfs/dbraw/zinc/59/32/19/1150593219.db2.gz XXSOVSQKAYQGDC-MRXNPFEDSA-N 1 3 303.450 2.361 20 0 DEADHO CN(C(=O)CC[NH2+]C[C@H]1CCCCN(C)C1)c1ccccc1 ZINC001336022413 1150593234 /nfs/dbraw/zinc/59/32/34/1150593234.db2.gz XXSOVSQKAYQGDC-MRXNPFEDSA-N 1 3 303.450 2.361 20 0 DEADHO CC[C@@H](c1ccc(F)cc1)N(C)CCNC(=O)CC[NH+](C)C ZINC001420290087 1169324570 /nfs/dbraw/zinc/32/45/70/1169324570.db2.gz NKNUHPLNBNAVPJ-INIZCTEOSA-N 1 3 309.429 2.277 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@@H]1CC[N@H+](C/C=C\Cl)C1)N(C)C ZINC001404511333 1163690366 /nfs/dbraw/zinc/69/03/66/1163690366.db2.gz ITXSFYLWNVBKLP-OVUXIIJLSA-N 1 3 315.889 2.153 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@@H]1CC[N@@H+](C/C=C\Cl)C1)N(C)C ZINC001404511333 1163690371 /nfs/dbraw/zinc/69/03/71/1163690371.db2.gz ITXSFYLWNVBKLP-OVUXIIJLSA-N 1 3 315.889 2.153 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001368473689 1148459577 /nfs/dbraw/zinc/45/95/77/1148459577.db2.gz HPORNLWPFSWLJS-FHAVYNNISA-N 1 3 313.873 2.096 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)C/C=C/c1ccccc1)N(C)C ZINC001368952383 1148804470 /nfs/dbraw/zinc/80/44/70/1148804470.db2.gz KFNXFTDMSBEIGU-ZODAKWMJSA-N 1 3 317.477 2.477 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)C/C=C/c1ccccc1)N(C)C ZINC001368952383 1148804473 /nfs/dbraw/zinc/80/44/73/1148804473.db2.gz KFNXFTDMSBEIGU-ZODAKWMJSA-N 1 3 317.477 2.477 20 0 DEADHO CC(C)=CCN(C)C[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001328781488 1148834448 /nfs/dbraw/zinc/83/44/48/1148834448.db2.gz UAHKLEJSEZPXJR-IAGOWNOFSA-N 1 3 307.482 2.217 20 0 DEADHO CC(C)=CCN(C)C[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001328781488 1148834449 /nfs/dbraw/zinc/83/44/49/1148834449.db2.gz UAHKLEJSEZPXJR-IAGOWNOFSA-N 1 3 307.482 2.217 20 0 DEADHO CC[C@@H](C(=O)N(C)CCC[N@H+](C)CC1CC(F)(F)C1)N(C)C ZINC001368555307 1148493184 /nfs/dbraw/zinc/49/31/84/1148493184.db2.gz GWKIPEUFIKFBKB-AWEZNQCLSA-N 1 3 319.440 2.152 20 0 DEADHO CC[C@@H](C(=O)N(C)CCC[N@@H+](C)CC1CC(F)(F)C1)N(C)C ZINC001368555307 1148493188 /nfs/dbraw/zinc/49/31/88/1148493188.db2.gz GWKIPEUFIKFBKB-AWEZNQCLSA-N 1 3 319.440 2.152 20 0 DEADHO COc1cc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)ccc1F ZINC001461342732 1058642035 /nfs/dbraw/zinc/64/20/35/1058642035.db2.gz DRUDAPDELIKFAW-IAGOWNOFSA-N 1 3 322.424 2.302 20 0 DEADHO CC(C)[NH+]1CCC(C)(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001500461854 1058805001 /nfs/dbraw/zinc/80/50/01/1058805001.db2.gz BKZMPLVUPRYQEZ-IYBDPMFKSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CCC2CC2)CCC1 ZINC001502029488 1059885623 /nfs/dbraw/zinc/88/56/23/1059885623.db2.gz ZMJPWJVWXPHTET-GJZGRUSLSA-N 1 3 307.482 2.288 20 0 DEADHO O=C(CCCC[NH+]1CCCC1)N1CCCC[C@H]1CNCCF ZINC001505412033 1060547938 /nfs/dbraw/zinc/54/79/38/1060547938.db2.gz ISRUTIDTLSGGLB-INIZCTEOSA-N 1 3 313.461 2.193 20 0 DEADHO CN(C[C@H]1CCN1CCC1CC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001479238758 1061312392 /nfs/dbraw/zinc/31/23/92/1061312392.db2.gz MDOFVFVIDFJZOT-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO CN(CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)Cc1ccsc1 ZINC001479772070 1061723761 /nfs/dbraw/zinc/72/37/61/1061723761.db2.gz VXWRSCKTBLYFNP-INIZCTEOSA-N 1 3 321.490 2.028 20 0 DEADHO CN(CCCNC(=O)C12CCC[NH+]1CCC2)CCC(F)(F)F ZINC001479782229 1061750835 /nfs/dbraw/zinc/75/08/35/1061750835.db2.gz OLFGUXAOUKTWOX-UHFFFAOYSA-N 1 3 321.387 2.005 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H](NC/C=C/Cl)C2)C1 ZINC001480115340 1062341482 /nfs/dbraw/zinc/34/14/82/1062341482.db2.gz SKRRZYDWZOYLIW-OYROCLPXSA-N 1 3 313.873 2.051 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H](NC/C=C/Cl)C2)C1 ZINC001480115340 1062341504 /nfs/dbraw/zinc/34/15/04/1062341504.db2.gz SKRRZYDWZOYLIW-OYROCLPXSA-N 1 3 313.873 2.051 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCCCC3)C2)CCC1 ZINC001480207755 1062466164 /nfs/dbraw/zinc/46/61/64/1062466164.db2.gz FVGDJOWNSRFYSM-IYBDPMFKSA-N 1 3 307.482 2.288 20 0 DEADHO CCCCC[N@@H+]1CCC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001480254734 1062539058 /nfs/dbraw/zinc/53/90/58/1062539058.db2.gz ICXQBYPWJAGGGU-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CCCCC[N@H+]1CCC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001480254734 1062539076 /nfs/dbraw/zinc/53/90/76/1062539076.db2.gz ICXQBYPWJAGGGU-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001480380907 1062760420 /nfs/dbraw/zinc/76/04/20/1062760420.db2.gz ZDYOGIXAJNLYHB-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001480380907 1062760440 /nfs/dbraw/zinc/76/04/40/1062760440.db2.gz ZDYOGIXAJNLYHB-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001480472226 1062907580 /nfs/dbraw/zinc/90/75/80/1062907580.db2.gz NSBSSQXVFZKKKM-ZBFHGGJFSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1ccccc1C[NH2+][C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001480478536 1062912984 /nfs/dbraw/zinc/91/29/84/1062912984.db2.gz ZXLOQODDZMDYOS-OAHLLOKOSA-N 1 3 303.450 2.074 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCCC1CCCC1 ZINC001480536149 1062998186 /nfs/dbraw/zinc/99/81/86/1062998186.db2.gz COEPYBGSWROMFQ-CVEARBPZSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[C@H]2CCC[N@@H+]2CC2CC2)C1 ZINC001480830095 1063413358 /nfs/dbraw/zinc/41/33/58/1063413358.db2.gz HPMUTMPLUNKPJB-RDJZCZTQSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[C@H]2CCC[N@H+]2CC2CC2)C1 ZINC001480830095 1063413364 /nfs/dbraw/zinc/41/33/64/1063413364.db2.gz HPMUTMPLUNKPJB-RDJZCZTQSA-N 1 3 307.482 2.099 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH2+]CCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001493694284 1063921670 /nfs/dbraw/zinc/92/16/70/1063921670.db2.gz DAIVEUANWDIFCX-NVXWUHKLSA-N 1 3 317.477 2.446 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@H]1CCc2c1cccc2F ZINC001493769342 1063955075 /nfs/dbraw/zinc/95/50/75/1063955075.db2.gz MTHDCPAXILOVAJ-KRWDZBQOSA-N 1 3 321.440 2.203 20 0 DEADHO CC[C@H](F)C[NH2+][C@@H](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001493852143 1063993821 /nfs/dbraw/zinc/99/38/21/1063993821.db2.gz XTESCUYSBSZYPC-HOCLYGCPSA-N 1 3 315.477 2.291 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@H+](C)C/C=C\Cl)CC1 ZINC001494191620 1064165311 /nfs/dbraw/zinc/16/53/11/1064165311.db2.gz ULFRDKDCLBVHCO-UFRMUOTOSA-N 1 3 313.873 2.004 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)C/C=C\Cl)CC1 ZINC001494191620 1064165317 /nfs/dbraw/zinc/16/53/17/1064165317.db2.gz ULFRDKDCLBVHCO-UFRMUOTOSA-N 1 3 313.873 2.004 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001567590684 1064267046 /nfs/dbraw/zinc/26/70/46/1064267046.db2.gz IKGZEDGBHZSUSK-HNNXBMFYSA-N 1 3 311.857 2.228 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cccc(C)c1 ZINC001567611395 1064280174 /nfs/dbraw/zinc/28/01/74/1064280174.db2.gz FMGCYOWHWASDDB-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001568366313 1064809068 /nfs/dbraw/zinc/80/90/68/1064809068.db2.gz VWSJFBBHCBRKPF-ATQQARJTSA-N 1 3 304.438 2.135 20 0 DEADHO C[C@H](CC[NH2+]Cc1ccccn1)NC(=O)CN(C)CC(C)(C)C ZINC001568678751 1065044735 /nfs/dbraw/zinc/04/47/35/1065044735.db2.gz XUNRSJZALQULPC-OAHLLOKOSA-N 1 3 320.481 2.044 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)CN(C)C(C)C)cc1 ZINC001495811079 1065122974 /nfs/dbraw/zinc/12/29/74/1065122974.db2.gz DHFJJEBFYKWWMC-MRXNPFEDSA-N 1 3 305.466 2.177 20 0 DEADHO C[C@H]1CCN(CC(=O)NC/C=C/C[NH2+]CCC2CCCC2)C1 ZINC001568920511 1065191868 /nfs/dbraw/zinc/19/18/68/1065191868.db2.gz WYNOSIIYFWNCFC-APHBUQMISA-N 1 3 307.482 2.171 20 0 DEADHO CC1CCN(CC(=O)NC/C=C/C[NH2+]CC2=CCCCC2)CC1 ZINC001568940339 1065202132 /nfs/dbraw/zinc/20/21/32/1065202132.db2.gz UTHMGJLGQUHNND-AATRIKPKSA-N 1 3 319.493 2.481 20 0 DEADHO Cc1cc(CNC/C=C/CNC(=O)[C@H](C(C)C)[NH+](C)C)cs1 ZINC001568953720 1065211636 /nfs/dbraw/zinc/21/16/36/1065211636.db2.gz GFUKYMMOGAAOIT-MOEXGYKKSA-N 1 3 323.506 2.405 20 0 DEADHO Cc1cccc(C)c1C[NH2+]C/C=C/CNC(=O)CN1CCCC1 ZINC001568963811 1065216826 /nfs/dbraw/zinc/21/68/26/1065216826.db2.gz IYVJDRQUUZBGJV-ONEGZZNKSA-N 1 3 315.461 2.161 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]C/C=C\CNC(=O)CN(C)C(C)C ZINC001568969604 1065220528 /nfs/dbraw/zinc/22/05/28/1065220528.db2.gz MXHJNECPMUUUFY-WAYWQWQTSA-N 1 3 321.440 2.236 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CN2CC[C@@H](C)C2)cc1 ZINC001496156053 1065313418 /nfs/dbraw/zinc/31/34/18/1065313418.db2.gz WRAKUTOSSVGBPP-IAGOWNOFSA-N 1 3 317.477 2.273 20 0 DEADHO CCc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)Cc2c[nH]cn2)cc1 ZINC001496169533 1065318803 /nfs/dbraw/zinc/31/88/03/1065318803.db2.gz KKHDMDLLZUHECR-CQSZACIVSA-N 1 3 314.433 2.151 20 0 DEADHO CN(CC(=O)N1CCCC[C@@H]1CC[NH2+]CC1CC1)C1CCC1 ZINC001496398531 1065446712 /nfs/dbraw/zinc/44/67/12/1065446712.db2.gz GYLXNSKPGKHWFS-QGZVFWFLSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H](c1ccccc1)N(C)CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001496817350 1065731263 /nfs/dbraw/zinc/73/12/63/1065731263.db2.gz XFBPBPFXVPRHOD-SJORKVTESA-N 1 3 317.477 2.480 20 0 DEADHO C[C@H](c1ccccc1)N(C)CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001496817350 1065731274 /nfs/dbraw/zinc/73/12/74/1065731274.db2.gz XFBPBPFXVPRHOD-SJORKVTESA-N 1 3 317.477 2.480 20 0 DEADHO CC(C)CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001569823825 1065744494 /nfs/dbraw/zinc/74/44/94/1065744494.db2.gz KDLFAGWHTKAOBN-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CCN(CC[NH2+][C@H](C)c1ccccc1)C(=O)CN1CCCC1 ZINC001497495225 1066115560 /nfs/dbraw/zinc/11/55/60/1066115560.db2.gz ALDXXUSVDYLXGN-MRXNPFEDSA-N 1 3 303.450 2.282 20 0 DEADHO CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc1ccc(C)cc1C)N(C)C ZINC001497680039 1066232099 /nfs/dbraw/zinc/23/20/99/1066232099.db2.gz KBVITBXNYXZIPS-DVBCCOPCSA-N 1 3 317.477 2.406 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC/C=C/C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001497679723 1066232558 /nfs/dbraw/zinc/23/25/58/1066232558.db2.gz IWDZDGDOEHDJFT-WOMSROEHSA-N 1 3 319.493 2.171 20 0 DEADHO CC1(C)CCN(CCNC(=O)[C@@H]2[NH2+]CC[C@H]3CCCC[C@@H]32)C1 ZINC001576439422 1066607195 /nfs/dbraw/zinc/60/71/95/1066607195.db2.gz ASDVHEHRFLJBLG-OWCLPIDISA-N 1 3 307.482 2.003 20 0 DEADHO C[C@@H]1CCN(C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C[NH3+] ZINC001576729650 1066672943 /nfs/dbraw/zinc/67/29/43/1066672943.db2.gz UOXMPICCDFBQCO-ILXRZTDVSA-N 1 3 311.470 2.160 20 0 DEADHO C[C@@H]1CC[N@H+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1CN ZINC001576729650 1066672945 /nfs/dbraw/zinc/67/29/45/1066672945.db2.gz UOXMPICCDFBQCO-ILXRZTDVSA-N 1 3 311.470 2.160 20 0 DEADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1CN ZINC001576729650 1066672949 /nfs/dbraw/zinc/67/29/49/1066672949.db2.gz UOXMPICCDFBQCO-ILXRZTDVSA-N 1 3 311.470 2.160 20 0 DEADHO C[C@H]1CN(C(=O)OC(C)(C)C)CCN1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001576782275 1066688327 /nfs/dbraw/zinc/68/83/27/1066688327.db2.gz GXGXEGYQZZCTPZ-HNSVSWJLSA-N 1 3 323.481 2.458 20 0 DEADHO C[C@@H]1CN(C(=O)c2ccc(CC[NH3+])cc2)CCN1C1CCCC1 ZINC001576792040 1066690164 /nfs/dbraw/zinc/69/01/64/1066690164.db2.gz VIEFOYQEGCRFLT-OAHLLOKOSA-N 1 3 315.461 2.277 20 0 DEADHO CC[C@H](CNC(=O)[C@](C)(CC)C[NH3+])N1CCc2ccccc2C1 ZINC001577084700 1066759867 /nfs/dbraw/zinc/75/98/67/1066759867.db2.gz FJIUWTDENDDHIF-IEBWSBKVSA-N 1 3 317.477 2.315 20 0 DEADHO CC[C@@H]1CN(C(=O)c2ccc(NC3=NCCC3)cc2)CC[C@H]1[NH3+] ZINC001577279726 1066806507 /nfs/dbraw/zinc/80/65/07/1066806507.db2.gz OWNGPTRUUKWLSS-CZUORRHYSA-N 1 3 314.433 2.490 20 0 DEADHO CN(C)C[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])CC1)c1ccc(F)cc1 ZINC001578413010 1067092803 /nfs/dbraw/zinc/09/28/03/1067092803.db2.gz ZHCWSSRCXVGDAL-IMJJTQAJSA-N 1 3 307.413 2.062 20 0 DEADHO CN(CCN(C)C(=O)OC(C)(C)C)Cc1cccc(C[NH3+])c1 ZINC001578468772 1067111984 /nfs/dbraw/zinc/11/19/84/1067111984.db2.gz LWZWZTRAZMWWEM-UHFFFAOYSA-N 1 3 307.438 2.444 20 0 DEADHO C[NH2+]CCCN(C)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001578684230 1067150869 /nfs/dbraw/zinc/15/08/69/1067150869.db2.gz RBEHAQIQHHKZRP-DOTOQJQBSA-N 1 3 318.465 2.073 20 0 DEADHO COC(=O)c1[nH]c(CN2CCC3(CCC[C@@H]3C[NH3+])CC2)cc1C ZINC001578847212 1067180677 /nfs/dbraw/zinc/18/06/77/1067180677.db2.gz NZAUOBMACKBPQO-CQSZACIVSA-N 1 3 319.449 2.451 20 0 DEADHO O=C(CCC[NH+]1CCCCC1)NCC1(NC/C=C\Cl)CC1 ZINC001499452042 1067224694 /nfs/dbraw/zinc/22/46/94/1067224694.db2.gz UZBONSKVZZUANR-UITAMQMPSA-N 1 3 313.873 2.243 20 0 DEADHO COc1ccc(C[C@H]2CCN2CCC2([NH3+])CCOCC2)cc1 ZINC001579205541 1067259339 /nfs/dbraw/zinc/25/93/39/1067259339.db2.gz DKZMVYNMIUZWRL-MRXNPFEDSA-N 1 3 304.434 2.210 20 0 DEADHO COc1ccc(CN2CC[C@H]2CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001579212949 1067259923 /nfs/dbraw/zinc/25/99/23/1067259923.db2.gz QTVDENKPJIPQJZ-WFFDWFOESA-N 1 3 315.461 2.142 20 0 DEADHO C[C@@H](NC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC001579410078 1067332649 /nfs/dbraw/zinc/33/26/49/1067332649.db2.gz BGFKSFAYXIGXNL-NXHRZFHOSA-N 1 3 315.461 2.185 20 0 DEADHO Cc1c(C[C@@H](CN)C[NH2+][C@H]2C[C@H](c3ccccc3)C2)cnn1C ZINC001579530739 1067362149 /nfs/dbraw/zinc/36/21/49/1067362149.db2.gz XHXREWRHJIYWDP-IEZWGBDMSA-N 1 3 312.461 2.382 20 0 DEADHO Cc1nnsc1[C@H](C)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC001579915705 1067451766 /nfs/dbraw/zinc/45/17/66/1067451766.db2.gz RZHGIDPMHMPEDE-IGQOVBAYSA-N 1 3 310.467 2.126 20 0 DEADHO Cn1nccc1C1=CCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC001580010863 1067471493 /nfs/dbraw/zinc/47/14/93/1067471493.db2.gz KZFIDIDXHOMEEE-UHFFFAOYSA-N 1 3 308.429 2.355 20 0 DEADHO [NH3+][C@@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)C1CCCCC1 ZINC001580111459 1067496921 /nfs/dbraw/zinc/49/69/21/1067496921.db2.gz GPIXHQPBUXWUIJ-ZWKOTPCHSA-N 1 3 315.461 2.285 20 0 DEADHO [NH3+][C@@H]1C[C@@H](N[C@H]2Cc3ccc(Cl)cc3C2)C12CCOCC2 ZINC001580162686 1067514168 /nfs/dbraw/zinc/51/41/68/1067514168.db2.gz DBYNNRQELSTBMG-ARFHVFGLSA-N 1 3 306.837 2.293 20 0 DEADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C[C@H](O)c2cccc(F)c2)C1 ZINC001580201127 1067522394 /nfs/dbraw/zinc/52/23/94/1067522394.db2.gz ZDQXVYAWHOWFJG-OWSLCNJRSA-N 1 3 322.424 2.220 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]CCCC2CCC2)C1)N(C)C ZINC001267065801 1078540792 /nfs/dbraw/zinc/54/07/92/1078540792.db2.gz AFOTYOVAGTZTHG-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1cnn(CC3CCC3)c1)CC2 ZINC001580257431 1067544212 /nfs/dbraw/zinc/54/42/12/1067544212.db2.gz NMBRCMROTAEDAV-QGZVFWFLSA-N 1 3 318.465 2.013 20 0 DEADHO Cc1cc(C[NH2+]CCCN(C)C(=O)[C@H]2CCCN2C)cs1 ZINC001483456082 1078545569 /nfs/dbraw/zinc/54/55/69/1078545569.db2.gz MEMYOKNJSNPCBJ-OAHLLOKOSA-N 1 3 309.479 2.089 20 0 DEADHO C[C@H]1CCC[C@@H](CC[NH2+]CCN(C)C(=O)CN2CCCC2)C1 ZINC001267081766 1078555102 /nfs/dbraw/zinc/55/51/02/1078555102.db2.gz RXSJXSHLYXEGGZ-IRXDYDNUSA-N 1 3 309.498 2.347 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CCCCCF)C1)N(C)C ZINC001267114220 1078591550 /nfs/dbraw/zinc/59/15/50/1078591550.db2.gz YUUBLDYZHQHNBT-CVEARBPZSA-N 1 3 315.477 2.389 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCCCCF)C1)N(C)C ZINC001267114220 1078591555 /nfs/dbraw/zinc/59/15/55/1078591555.db2.gz YUUBLDYZHQHNBT-CVEARBPZSA-N 1 3 315.477 2.389 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCCF ZINC001267148170 1078613783 /nfs/dbraw/zinc/61/37/83/1078613783.db2.gz HXFHQYBJCMAKPD-CABCVRRESA-N 1 3 301.450 2.093 20 0 DEADHO C[C@@H](NC(=O)C(C)(C)N1CCCCC1)[C@@H](C)[NH2+]CCCF ZINC001570604989 1068032934 /nfs/dbraw/zinc/03/29/34/1068032934.db2.gz OSTQELJTDJTAIT-ZIAGYGMSSA-N 1 3 301.450 2.093 20 0 DEADHO CCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001570923957 1068161631 /nfs/dbraw/zinc/16/16/31/1068161631.db2.gz HJQATINCCWQCKT-ZJPYXAASSA-N 1 3 321.509 2.343 20 0 DEADHO CCCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001570923957 1068161634 /nfs/dbraw/zinc/16/16/34/1068161634.db2.gz HJQATINCCWQCKT-ZJPYXAASSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCCCCF)C[C@@H]1C ZINC001571493549 1068351108 /nfs/dbraw/zinc/35/11/08/1068351108.db2.gz SFKJAGXSZXFTGC-LSDHHAIUSA-N 1 3 301.450 2.045 20 0 DEADHO CC[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@@H+]3C2)[C@@H](CC)CN1 ZINC001573718623 1069078709 /nfs/dbraw/zinc/07/87/09/1069078709.db2.gz LOPRUNGWBWRFPS-OVYGPGRDSA-N 1 3 307.482 2.096 20 0 DEADHO CC[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@H+]3C2)[C@@H](CC)CN1 ZINC001573718623 1069078717 /nfs/dbraw/zinc/07/87/17/1069078717.db2.gz LOPRUNGWBWRFPS-OVYGPGRDSA-N 1 3 307.482 2.096 20 0 DEADHO CC[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@@H+]3C2)[C@H](CC)CN1 ZINC001573718625 1069079141 /nfs/dbraw/zinc/07/91/41/1069079141.db2.gz LOPRUNGWBWRFPS-WRQOLXDDSA-N 1 3 307.482 2.096 20 0 DEADHO CC[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@H+]3C2)[C@H](CC)CN1 ZINC001573718625 1069079142 /nfs/dbraw/zinc/07/91/42/1069079142.db2.gz LOPRUNGWBWRFPS-WRQOLXDDSA-N 1 3 307.482 2.096 20 0 DEADHO CN(CC[NH2+]CCC1CCCCCC1)C(=O)Cc1c[nH]cn1 ZINC001267435097 1078849968 /nfs/dbraw/zinc/84/99/68/1078849968.db2.gz SXRGCCIPCBVKAE-UHFFFAOYSA-N 1 3 306.454 2.361 20 0 DEADHO Cc1cccc(CN(C)CCNC(=O)CCC[NH+]2CCCC2)c1 ZINC001480951155 1078898117 /nfs/dbraw/zinc/89/81/17/1078898117.db2.gz PVTMPQAALSEBJP-UHFFFAOYSA-N 1 3 317.477 2.419 20 0 DEADHO CCCCC[NH+]1CCC2(CCC(=O)N(CCN(C)C)C2)CC1 ZINC001272469768 1078902200 /nfs/dbraw/zinc/90/22/00/1078902200.db2.gz AMIXXGOFXQGHRN-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CCN1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)C1 ZINC001645611789 1078936608 /nfs/dbraw/zinc/93/66/08/1078936608.db2.gz QKULANKCTPINPL-GJZGRUSLSA-N 1 3 314.437 2.045 20 0 DEADHO CC[N@@H+]1CCC[C@@H](CN[C@@H](C)c2ccc(-n3cnnn3)cc2)C1 ZINC001645611789 1078936619 /nfs/dbraw/zinc/93/66/19/1078936619.db2.gz QKULANKCTPINPL-GJZGRUSLSA-N 1 3 314.437 2.045 20 0 DEADHO CC[N@H+]1CCC[C@@H](CN[C@@H](C)c2ccc(-n3cnnn3)cc2)C1 ZINC001645611789 1078936623 /nfs/dbraw/zinc/93/66/23/1078936623.db2.gz QKULANKCTPINPL-GJZGRUSLSA-N 1 3 314.437 2.045 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)NCC[C@H](C)[NH2+]C)c1ccco1 ZINC001645846067 1079024226 /nfs/dbraw/zinc/02/42/26/1079024226.db2.gz KWBKGSLUNOBLDE-IHRRRGAJSA-N 1 3 310.442 2.006 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)C1C[NH+](CC2CCCC2)C1)N(C)C ZINC001409895923 1079038883 /nfs/dbraw/zinc/03/88/83/1079038883.db2.gz DVRXGNYHFWNNLJ-PBHICJAKSA-N 1 3 309.498 2.199 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)C1C[NH+](CCC(C)(C)C)C1 ZINC001409906315 1079087658 /nfs/dbraw/zinc/08/76/58/1079087658.db2.gz GVOIQBGOIHROJI-CQSZACIVSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CCCC[NH2+]C3)C2)cc1 ZINC001550101508 1073427131 /nfs/dbraw/zinc/42/71/31/1073427131.db2.gz SUWAJHYRVJMVMQ-ROUUACIJSA-N 1 3 315.461 2.075 20 0 DEADHO O=C(NC[C@@H]1CCN1C1CCCC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001550328978 1073595651 /nfs/dbraw/zinc/59/56/51/1073595651.db2.gz GCGRNGHKLKXPTG-IXDOHACOSA-N 1 3 305.466 2.136 20 0 DEADHO O=C(NC[C@@H]1CCN1C1CCCC1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001550328978 1073595661 /nfs/dbraw/zinc/59/56/61/1073595661.db2.gz GCGRNGHKLKXPTG-IXDOHACOSA-N 1 3 305.466 2.136 20 0 DEADHO C[C@@H]1CN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCN(C2CCC2)C1 ZINC001550366522 1073617190 /nfs/dbraw/zinc/61/71/90/1073617190.db2.gz NTYFYDCLNKAPQA-CGTJXYLNSA-N 1 3 319.493 2.336 20 0 DEADHO C[C@@H]1CN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CCN(C2CCC2)C1 ZINC001550366522 1073617195 /nfs/dbraw/zinc/61/71/95/1073617195.db2.gz NTYFYDCLNKAPQA-CGTJXYLNSA-N 1 3 319.493 2.336 20 0 DEADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3ccns3)C2)[C@H]1C(C)C ZINC001550422762 1073646644 /nfs/dbraw/zinc/64/66/44/1073646644.db2.gz CSGVPKKNCQVBRV-JONQDZQNSA-N 1 3 309.479 2.103 20 0 DEADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3ccns3)C2)[C@H]1C(C)C ZINC001550422762 1073646650 /nfs/dbraw/zinc/64/66/50/1073646650.db2.gz CSGVPKKNCQVBRV-JONQDZQNSA-N 1 3 309.479 2.103 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NCc1ccnn1C(C)C)[C@@H](O)C2 ZINC001550421658 1073647489 /nfs/dbraw/zinc/64/74/89/1073647489.db2.gz APQHSLYHDLBNKK-OWSLCNJRSA-N 1 3 320.481 2.033 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NCc1ccnn1C(C)C)[C@@H](O)C2 ZINC001550421658 1073647497 /nfs/dbraw/zinc/64/74/97/1073647497.db2.gz APQHSLYHDLBNKK-OWSLCNJRSA-N 1 3 320.481 2.033 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3cncs3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550422774 1073648331 /nfs/dbraw/zinc/64/83/31/1073648331.db2.gz CYKULGMDCKEURA-QXSJWSMHSA-N 1 3 309.479 2.103 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3cncs3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550422774 1073648334 /nfs/dbraw/zinc/64/83/34/1073648334.db2.gz CYKULGMDCKEURA-QXSJWSMHSA-N 1 3 309.479 2.103 20 0 DEADHO COC1(OC)CC[C@@H]1[NH2+]C[C@@H]1CN(C)C[C@@H]1c1ccccc1 ZINC001550512206 1073683398 /nfs/dbraw/zinc/68/33/98/1073683398.db2.gz STJSOSCGYVRRKU-ZACQAIPSSA-N 1 3 304.434 2.073 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CCCCCF)CCN1C(=O)Cc1c[nH]cn1 ZINC001671245085 1079179654 /nfs/dbraw/zinc/17/96/54/1079179654.db2.gz MBROHLIGZFOOBC-ZIAGYGMSSA-N 1 3 310.417 2.061 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC001550833797 1073902744 /nfs/dbraw/zinc/90/27/44/1073902744.db2.gz FKUNSHONJLNUCO-IXDOHACOSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC001550833797 1073902747 /nfs/dbraw/zinc/90/27/47/1073902747.db2.gz FKUNSHONJLNUCO-IXDOHACOSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001550833797 1073902749 /nfs/dbraw/zinc/90/27/49/1073902749.db2.gz FKUNSHONJLNUCO-IXDOHACOSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001550833797 1073902752 /nfs/dbraw/zinc/90/27/52/1073902752.db2.gz FKUNSHONJLNUCO-IXDOHACOSA-N 1 3 307.482 2.240 20 0 DEADHO CN(C(=O)NC1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1CCN(C)C1 ZINC001550937818 1073967354 /nfs/dbraw/zinc/96/73/54/1073967354.db2.gz XBPIWDVKAYTXMH-UPTPFMHGSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[N@H+](CCCC3CCC3)C2)C1 ZINC001481110981 1079195395 /nfs/dbraw/zinc/19/53/95/1079195395.db2.gz DXVKNRIHLKIRGZ-SJLPKXTDSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001481110981 1079195399 /nfs/dbraw/zinc/19/53/99/1079195399.db2.gz DXVKNRIHLKIRGZ-SJLPKXTDSA-N 1 3 321.509 2.347 20 0 DEADHO CN(C)Cc1cnc(CN2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)s1 ZINC001551258554 1074137712 /nfs/dbraw/zinc/13/77/12/1074137712.db2.gz DIXMNWGLNDTMBM-SOUVJXGZSA-N 1 3 322.522 2.367 20 0 DEADHO O[C@H]1CCCC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001551466516 1074230266 /nfs/dbraw/zinc/23/02/66/1074230266.db2.gz MTTAFGCDOXLBEY-MSOLQXFVSA-N 1 3 303.450 2.187 20 0 DEADHO C[N@@H+]1CC[C@H](CNC[C@H](O)c2ccc(Br)cc2)C1 ZINC001646515524 1074467501 /nfs/dbraw/zinc/46/75/01/1074467501.db2.gz WFPMAMMEDSXSHJ-RISCZKNCSA-N 1 3 313.239 2.024 20 0 DEADHO C[N@H+]1CC[C@H](CNC[C@H](O)c2ccc(Br)cc2)C1 ZINC001646515524 1074467504 /nfs/dbraw/zinc/46/75/04/1074467504.db2.gz WFPMAMMEDSXSHJ-RISCZKNCSA-N 1 3 313.239 2.024 20 0 DEADHO CC(C)C[NH2+]CC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC001649856915 1079268472 /nfs/dbraw/zinc/26/84/72/1079268472.db2.gz WRDRGZNCDPHEMA-QGZVFWFLSA-N 1 3 303.450 2.185 20 0 DEADHO CN(C(=O)[C@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CCN(C)C1 ZINC001552234925 1074501406 /nfs/dbraw/zinc/50/14/06/1074501406.db2.gz STROQXXZSUJQMI-ZWKOTPCHSA-N 1 3 315.461 2.029 20 0 DEADHO CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001484057882 1079278947 /nfs/dbraw/zinc/27/89/47/1079278947.db2.gz MMLITYQTJBAMBN-SJORKVTESA-N 1 3 313.461 2.190 20 0 DEADHO CCC[N@H+]1CC[C@@](C)(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001484057882 1079278952 /nfs/dbraw/zinc/27/89/52/1079278952.db2.gz MMLITYQTJBAMBN-SJORKVTESA-N 1 3 313.461 2.190 20 0 DEADHO CCN1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC001552296008 1074525885 /nfs/dbraw/zinc/52/58/85/1074525885.db2.gz VWVPSALIBJWJED-KSZLIROESA-N 1 3 315.461 2.280 20 0 DEADHO CCN1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C1 ZINC001552296008 1074525892 /nfs/dbraw/zinc/52/58/92/1074525892.db2.gz VWVPSALIBJWJED-KSZLIROESA-N 1 3 315.461 2.280 20 0 DEADHO CC[C@@H](CNC(=O)CC(C)(C)C[NH3+])N1CCc2ccccc2C1 ZINC001646735727 1074585618 /nfs/dbraw/zinc/58/56/18/1074585618.db2.gz CGEWTVUUYKYDJH-KRWDZBQOSA-N 1 3 317.477 2.315 20 0 DEADHO CC(C)C[C@@](C)(C[NH3+])C(=O)NC[C@H]1NCCc2ccccc21 ZINC001646749394 1074597473 /nfs/dbraw/zinc/59/74/73/1074597473.db2.gz XIQHREIDMIFMQE-AEFFLSMTSA-N 1 3 303.450 2.001 20 0 DEADHO CCn1ccnc1[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC001552776467 1074653268 /nfs/dbraw/zinc/65/32/68/1074653268.db2.gz SXPFWZXYCXVXIB-WCXIOVBPSA-N 1 3 320.481 2.443 20 0 DEADHO O=C(N1CCN(CC2CCCCC2)CC1)[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001552831141 1074671294 /nfs/dbraw/zinc/67/12/94/1074671294.db2.gz QDWJWBQEQBCMLU-PKOBYXMFSA-N 1 3 319.493 2.243 20 0 DEADHO CN1CCn2ncc(C[NH2+][C@@H]3CCOC4(CCCCC4)C3)c2C1 ZINC001552928985 1074698798 /nfs/dbraw/zinc/69/87/98/1074698798.db2.gz FYBSDBRAUWPPRM-MRXNPFEDSA-N 1 3 318.465 2.300 20 0 DEADHO CC(C)C[NH+]1CCC(C)(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001484137681 1079318711 /nfs/dbraw/zinc/31/87/11/1079318711.db2.gz UHPWEOIWZHQBCZ-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@H](C[NH2+]CCF)C1 ZINC001565973325 1075211757 /nfs/dbraw/zinc/21/17/57/1075211757.db2.gz XKINYAGPWPLIRG-CABCVRRESA-N 1 3 315.477 2.151 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CCC2CCCC2)C1 ZINC001567150038 1075445774 /nfs/dbraw/zinc/44/57/74/1075445774.db2.gz BHMYMDTWODLTGN-KRWDZBQOSA-N 1 3 309.498 2.347 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@@H](CC[NH3+])C1)c1ccco1 ZINC001650170552 1079434454 /nfs/dbraw/zinc/43/44/54/1079434454.db2.gz PTOGPJIBXUAXES-RRFJBIMHSA-N 1 3 322.453 2.089 20 0 DEADHO O=C(CCN1CCCC[C@H]1[C@H]1CCC[NH2+]C1)Nc1cccnc1 ZINC001580534068 1075946516 /nfs/dbraw/zinc/94/65/16/1075946516.db2.gz NCIYMIKQCAKCAV-RDJZCZTQSA-N 1 3 316.449 2.264 20 0 DEADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 ZINC001580651982 1075969568 /nfs/dbraw/zinc/96/95/68/1075969568.db2.gz PMNBQOVLCDSFGW-OWLYRPNTSA-N 1 3 319.493 2.430 20 0 DEADHO OCCCN(Cc1cccc(Cl)c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC001580883548 1076013037 /nfs/dbraw/zinc/01/30/37/1076013037.db2.gz UAOYEVMSZVPSTK-MRXNPFEDSA-N 1 3 324.852 2.045 20 0 DEADHO c1c(CNCC[C@@H]2CCC[NH2+]CC2)nnn1Cc1ccccc1 ZINC001580893204 1076016781 /nfs/dbraw/zinc/01/67/81/1076016781.db2.gz XLSXPKITVOWMDE-MRXNPFEDSA-N 1 3 313.449 2.196 20 0 DEADHO CC[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590470195 1076635002 /nfs/dbraw/zinc/63/50/02/1076635002.db2.gz PCELKLXFCCXILL-BYCMXARLSA-N 1 3 300.410 2.035 20 0 DEADHO CC[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590470195 1076635006 /nfs/dbraw/zinc/63/50/06/1076635006.db2.gz PCELKLXFCCXILL-BYCMXARLSA-N 1 3 300.410 2.035 20 0 DEADHO Cc1cc(-c2nnn[n-]2)cc(C)c1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC001591845711 1076792950 /nfs/dbraw/zinc/79/29/50/1076792950.db2.gz CCUKOKQJYOVAKC-ZIAGYGMSSA-N 1 3 314.437 2.043 20 0 DEADHO Cc1cc(-c2nnn[n-]2)cc(C)c1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC001591845711 1076792954 /nfs/dbraw/zinc/79/29/54/1076792954.db2.gz CCUKOKQJYOVAKC-ZIAGYGMSSA-N 1 3 314.437 2.043 20 0 DEADHO C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cccc(-c2nnn[n-]2)c1 ZINC001609123837 1077766796 /nfs/dbraw/zinc/76/67/96/1077766796.db2.gz QGAXSSUDAQZIHS-WFASDCNBSA-N 1 3 300.410 2.050 20 0 DEADHO C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cccc(-c2nn[n-]n2)c1 ZINC001609123837 1077766801 /nfs/dbraw/zinc/76/68/01/1077766801.db2.gz QGAXSSUDAQZIHS-WFASDCNBSA-N 1 3 300.410 2.050 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc3c(s2)CNCC3)C1 ZINC001650339489 1079541001 /nfs/dbraw/zinc/54/10/01/1079541001.db2.gz IXDQFZFXBDTADO-CYBMUJFWSA-N 1 3 321.490 2.102 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cc3c(s2)CNCC3)C1 ZINC001650339489 1079541006 /nfs/dbraw/zinc/54/10/06/1079541006.db2.gz IXDQFZFXBDTADO-CYBMUJFWSA-N 1 3 321.490 2.102 20 0 DEADHO CCCCC[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001484370174 1079567679 /nfs/dbraw/zinc/56/76/79/1079567679.db2.gz ZCIRGZYKURORCG-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001484411579 1079597088 /nfs/dbraw/zinc/59/70/88/1079597088.db2.gz QMGJQUKBXVKJAO-CALCHBBNSA-N 1 3 321.509 2.321 20 0 DEADHO CC(C)=CC[N@H+]1C[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001484411579 1079597094 /nfs/dbraw/zinc/59/70/94/1079597094.db2.gz QMGJQUKBXVKJAO-CALCHBBNSA-N 1 3 321.509 2.321 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2ccccc2)C1 ZINC001484550947 1079656119 /nfs/dbraw/zinc/65/61/19/1079656119.db2.gz YZTFSKRHJUQVIV-GOSISDBHSA-N 1 3 317.477 2.357 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]CCc1cccs1 ZINC001671373830 1079729753 /nfs/dbraw/zinc/72/97/53/1079729753.db2.gz RPRSGHMMEMRXQG-HNNXBMFYSA-N 1 3 323.506 2.213 20 0 DEADHO CC[C@H](F)C[N@@H+]1CCC[C@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001484716583 1079742293 /nfs/dbraw/zinc/74/22/93/1079742293.db2.gz NAVUZYDNNUVLQA-GJZGRUSLSA-N 1 3 313.461 2.190 20 0 DEADHO CC[C@H](F)C[N@H+]1CCC[C@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001484716583 1079742299 /nfs/dbraw/zinc/74/22/99/1079742299.db2.gz NAVUZYDNNUVLQA-GJZGRUSLSA-N 1 3 313.461 2.190 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1CC[N@@H+](CC2CC(C)C2)C1 ZINC001481455965 1079885937 /nfs/dbraw/zinc/88/59/37/1079885937.db2.gz DEFVYHFEJGRWTB-OGVSOVDVSA-N 1 3 318.465 2.135 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001481455965 1079885948 /nfs/dbraw/zinc/88/59/48/1079885948.db2.gz DEFVYHFEJGRWTB-OGVSOVDVSA-N 1 3 318.465 2.135 20 0 DEADHO C[C@H](C[NH2+]CCC1CCCCC1)N(C)C(=O)[C@H]1CCCN1C ZINC001268057406 1079986896 /nfs/dbraw/zinc/98/68/96/1079986896.db2.gz YJPRYFBHCYCGSO-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+]Cc2ccccc2F)C1 ZINC001485110637 1079987249 /nfs/dbraw/zinc/98/72/49/1079987249.db2.gz QFVZBQSFPKXWQK-UHFFFAOYSA-N 1 3 321.440 2.150 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnn(C)c2C2CC2)C[C@H](C)O1 ZINC001655681126 1080011366 /nfs/dbraw/zinc/01/13/66/1080011366.db2.gz GGWXPXSKXPHVRN-GASCZTMLSA-N 1 3 320.481 2.277 20 0 DEADHO C[C@@H](NCC=C(Cl)Cl)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001485186627 1080050567 /nfs/dbraw/zinc/05/05/67/1080050567.db2.gz PCNKKXFNSBKZBC-MNOVXSKESA-N 1 3 322.280 2.130 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCc1ccccc1F)N(C)C ZINC001268096179 1080068713 /nfs/dbraw/zinc/06/87/13/1080068713.db2.gz ZHVVAOOTFLMUMR-YOEHRIQHSA-N 1 3 323.456 2.145 20 0 DEADHO CC[C@H](F)C[NH2+]CC(C)(C)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001485260721 1080096039 /nfs/dbraw/zinc/09/60/39/1080096039.db2.gz PAGYRUJNNKVOPD-GJZGRUSLSA-N 1 3 315.477 2.151 20 0 DEADHO CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001656850513 1080128870 /nfs/dbraw/zinc/12/88/70/1080128870.db2.gz JXDWRRLZLQVBIQ-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CCCCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001656850513 1080128872 /nfs/dbraw/zinc/12/88/72/1080128872.db2.gz JXDWRRLZLQVBIQ-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000073033924 1080170586 /nfs/dbraw/zinc/17/05/86/1080170586.db2.gz YDZZMXVGJMHZFI-RDJZCZTQSA-N 1 3 303.450 2.280 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000073033924 1080170592 /nfs/dbraw/zinc/17/05/92/1080170592.db2.gz YDZZMXVGJMHZFI-RDJZCZTQSA-N 1 3 303.450 2.280 20 0 DEADHO CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001481681090 1080290391 /nfs/dbraw/zinc/29/03/91/1080290391.db2.gz FZCGBISBKARMLT-IKGGRYGDSA-N 1 3 307.482 2.194 20 0 DEADHO CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001481681090 1080290400 /nfs/dbraw/zinc/29/04/00/1080290400.db2.gz FZCGBISBKARMLT-IKGGRYGDSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCC3CC3)C[C@@H]2C1 ZINC001485658839 1080349922 /nfs/dbraw/zinc/34/99/22/1080349922.db2.gz YXNUCASENIIPHU-OKZBNKHCSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCC3CC3)C[C@@H]2C1 ZINC001485658839 1080349927 /nfs/dbraw/zinc/34/99/27/1080349927.db2.gz YXNUCASENIIPHU-OKZBNKHCSA-N 1 3 321.509 2.343 20 0 DEADHO CCC[N@H+](C)CCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001481747965 1080433448 /nfs/dbraw/zinc/43/34/48/1080433448.db2.gz FFTROIVKERNWKN-SFHVURJKSA-N 1 3 317.477 2.451 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001481747965 1080433451 /nfs/dbraw/zinc/43/34/51/1080433451.db2.gz FFTROIVKERNWKN-SFHVURJKSA-N 1 3 317.477 2.451 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001661378305 1080475663 /nfs/dbraw/zinc/47/56/63/1080475663.db2.gz GIYFAZIXNFQVPX-KRWDZBQOSA-N 1 3 307.482 2.408 20 0 DEADHO CCC[NH2+][C@H](CC)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001481849138 1080548945 /nfs/dbraw/zinc/54/89/45/1080548945.db2.gz APDYERIFGHEPRP-CZUORRHYSA-N 1 3 301.450 2.093 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+]CCCCCF)C2)CCC1 ZINC001662641359 1080626567 /nfs/dbraw/zinc/62/65/67/1080626567.db2.gz RGOBHWPVSVBNCU-OAHLLOKOSA-N 1 3 313.461 2.049 20 0 DEADHO CN(C)C1(C(=O)NC/C=C\C[NH2+]CC2CC3(CCC3)C2)CCC1 ZINC001268548932 1080745043 /nfs/dbraw/zinc/74/50/43/1080745043.db2.gz BLGFWNGDDQFNOJ-ARJAWSKDSA-N 1 3 319.493 2.313 20 0 DEADHO C[NH+](C)CCC(=O)NC/C=C/CNCc1ccc(Cl)cc1 ZINC001268587143 1080831760 /nfs/dbraw/zinc/83/17/60/1080831760.db2.gz HNOTZZMCUSOIOD-ONEGZZNKSA-N 1 3 309.841 2.054 20 0 DEADHO Cc1ccc(C[NH2+]CCN(C)C(=O)CN2CC[C@H](C)C2)cc1C ZINC001664186563 1080873511 /nfs/dbraw/zinc/87/35/11/1080873511.db2.gz PNFPXHFXWNTMAS-HNNXBMFYSA-N 1 3 317.477 2.193 20 0 DEADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCCCF ZINC001664643070 1080934571 /nfs/dbraw/zinc/93/45/71/1080934571.db2.gz IQFCLDQOPCGVOP-IYBDPMFKSA-N 1 3 313.461 2.143 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCCCF ZINC001664643070 1080934576 /nfs/dbraw/zinc/93/45/76/1080934576.db2.gz IQFCLDQOPCGVOP-IYBDPMFKSA-N 1 3 313.461 2.143 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]C/C=C/c1ccccc1)N(C)C ZINC001268711709 1080945313 /nfs/dbraw/zinc/94/53/13/1080945313.db2.gz RPRXPIVOQWJGTF-BSBMYWPDSA-N 1 3 303.450 2.134 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[NH2+]CCC1CCCCC1 ZINC001268712848 1080948615 /nfs/dbraw/zinc/94/86/15/1080948615.db2.gz GMXJCSKXMDVMTN-ZDUSSCGKSA-N 1 3 306.454 2.325 20 0 DEADHO C[C@H](F)CC[NH2+]C[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001268716982 1080949036 /nfs/dbraw/zinc/94/90/36/1080949036.db2.gz PKGUGWDMLDDXPR-KBPBESRZSA-N 1 3 309.429 2.204 20 0 DEADHO CC(C)=CCN(C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001268735996 1080961837 /nfs/dbraw/zinc/96/18/37/1080961837.db2.gz PWBWITAWKNNEKH-MRXNPFEDSA-N 1 3 307.482 2.265 20 0 DEADHO C[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C)c1ccc(F)cc1 ZINC001268784119 1080990024 /nfs/dbraw/zinc/99/00/24/1080990024.db2.gz RMMPEFVNNKXSDV-PBHICJAKSA-N 1 3 321.440 2.419 20 0 DEADHO CCN(CC[NH2+]CCCc1ccccc1)C(=O)[C@@H]1CCCN1C ZINC001668381653 1081348790 /nfs/dbraw/zinc/34/87/90/1081348790.db2.gz FJEKYAVUIXIHIR-SFHVURJKSA-N 1 3 317.477 2.152 20 0 DEADHO CCN(CC[NH2+]Cc1csc(C)c1)C(=O)CN(C)C(C)C ZINC001668652640 1081377099 /nfs/dbraw/zinc/37/70/99/1081377099.db2.gz SOGJHHVMEMJCKQ-UHFFFAOYSA-N 1 3 311.495 2.335 20 0 DEADHO C[C@@H](C[NH2+]C/C=C/c1ccccc1)NC(=O)CN(C)C1CCC1 ZINC001669581087 1081458564 /nfs/dbraw/zinc/45/85/64/1081458564.db2.gz XWLPAOSIQXXNIN-JCVNQNCUSA-N 1 3 315.461 2.278 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]2C[NH2+]CCCF)c1 ZINC001671383342 1081515053 /nfs/dbraw/zinc/51/50/53/1081515053.db2.gz BQLVMRPLMZJOBC-KRWDZBQOSA-N 1 3 321.440 2.302 20 0 DEADHO CC[NH2+]CC[C@@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001672864385 1081714018 /nfs/dbraw/zinc/71/40/18/1081714018.db2.gz YXRAOYSNLZWDMU-PBHICJAKSA-N 1 3 313.461 2.047 20 0 DEADHO Cc1cccc(CN2CC[C@H]3C[N@@H+](CCN(C)C)C[C@H]32)c1F ZINC001276308001 1081749872 /nfs/dbraw/zinc/74/98/72/1081749872.db2.gz CHKUHADMPNWPKK-DOTOQJQBSA-N 1 3 305.441 2.202 20 0 DEADHO Cc1cccc(CN2CC[C@H]3C[N@H+](CCN(C)C)C[C@H]32)c1F ZINC001276308001 1081749877 /nfs/dbraw/zinc/74/98/77/1081749877.db2.gz CHKUHADMPNWPKK-DOTOQJQBSA-N 1 3 305.441 2.202 20 0 DEADHO CCCC[NH2+][C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001673866869 1081805455 /nfs/dbraw/zinc/80/54/55/1081805455.db2.gz QJLRAGRYJOWHFR-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[NH2+][C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001673866868 1081805922 /nfs/dbraw/zinc/80/59/22/1081805922.db2.gz QJLRAGRYJOWHFR-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+]Cc2cnc(Cl)c(C)c2)CC1 ZINC001648791874 1081995607 /nfs/dbraw/zinc/99/56/07/1081995607.db2.gz CKCFGBXEHMQPHC-CQSZACIVSA-N 1 3 310.873 2.159 20 0 DEADHO CCCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](CC)N(C)C)CC1 ZINC001266379479 1082009206 /nfs/dbraw/zinc/00/92/06/1082009206.db2.gz IENARKLQTUKJLN-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CCc1ccccc1C[NH2+]CCN(C)C(=O)[C@@H](CC)N(C)C ZINC001266740953 1082313357 /nfs/dbraw/zinc/31/33/57/1082313357.db2.gz FGNPRXVAUGYFHA-QGZVFWFLSA-N 1 3 305.466 2.137 20 0 DEADHO CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001266826153 1082373421 /nfs/dbraw/zinc/37/34/21/1082373421.db2.gz OBSYBDDHTUAZLV-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CNCCO2 ZINC001648987542 1082398513 /nfs/dbraw/zinc/39/85/13/1082398513.db2.gz UCEYUABPMJXHRK-INIZCTEOSA-N 1 3 317.433 2.228 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CNCCO2 ZINC001648987542 1082398518 /nfs/dbraw/zinc/39/85/18/1082398518.db2.gz UCEYUABPMJXHRK-INIZCTEOSA-N 1 3 317.433 2.228 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc2c(c1)CNCCO2 ZINC001648987543 1082398747 /nfs/dbraw/zinc/39/87/47/1082398747.db2.gz UCEYUABPMJXHRK-MRXNPFEDSA-N 1 3 317.433 2.228 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)Nc1ccc2c(c1)CNCCO2 ZINC001648987543 1082398753 /nfs/dbraw/zinc/39/87/53/1082398753.db2.gz UCEYUABPMJXHRK-MRXNPFEDSA-N 1 3 317.433 2.228 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCC(F)(F)F ZINC001483099173 1082707780 /nfs/dbraw/zinc/70/77/80/1082707780.db2.gz WKLUSQNCWPBVEJ-DSYXLKISSA-N 1 3 321.387 2.075 20 0 DEADHO C[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)[C@H](C)NCCF ZINC001409382530 1082859503 /nfs/dbraw/zinc/85/95/03/1082859503.db2.gz SFQIEMGSAMAWON-QWHCGFSZSA-N 1 3 301.450 2.092 20 0 DEADHO C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)[C@H](C)NCCF ZINC001409382530 1082859506 /nfs/dbraw/zinc/85/95/06/1082859506.db2.gz SFQIEMGSAMAWON-QWHCGFSZSA-N 1 3 301.450 2.092 20 0 DEADHO CN1C[C@@H]2CC[C@H]([NH2+]C3CCN(CCC(F)(F)F)CC3)[C@H]2C1 ZINC001413191994 1083422046 /nfs/dbraw/zinc/42/20/46/1083422046.db2.gz XELAIWDBYNJHIY-QEJZJMRPSA-N 1 3 319.415 2.333 20 0 DEADHO c1n[nH]cc1CN1CCC2(C1)CC[NH+](C[C@@H]1CCCCO1)CC2 ZINC001276444250 1083437717 /nfs/dbraw/zinc/43/77/17/1083437717.db2.gz QWJWOYUEUOAVAG-KRWDZBQOSA-N 1 3 318.465 2.267 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C1C[NH+](CC2=CCCCC2)C1)N(C)C ZINC001276454607 1083444858 /nfs/dbraw/zinc/44/48/58/1083444858.db2.gz XCEMVQXAAZSMOP-PBHICJAKSA-N 1 3 307.482 2.264 20 0 DEADHO Cc1nc(C)c(CN2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)o1 ZINC001276755270 1083588310 /nfs/dbraw/zinc/58/83/10/1083588310.db2.gz BGLIJMTXYYJMDG-UHFFFAOYSA-N 1 3 320.481 2.141 20 0 DEADHO Cc1nc(C)c(CN2CCC3(CC[N@H+](CCN(C)C)C3)CC2)o1 ZINC001276755270 1083588320 /nfs/dbraw/zinc/58/83/20/1083588320.db2.gz BGLIJMTXYYJMDG-UHFFFAOYSA-N 1 3 320.481 2.141 20 0 DEADHO CCC[NH2+]CCC[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001277299507 1083901290 /nfs/dbraw/zinc/90/12/90/1083901290.db2.gz USIMEHLCTYEOPJ-YOEHRIQHSA-N 1 3 315.477 2.483 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001491080467 1084052552 /nfs/dbraw/zinc/05/25/52/1084052552.db2.gz OGGLYABURCPZRC-XQQFMLRXSA-N 1 3 321.387 2.050 20 0 DEADHO CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCN1C ZINC001670928223 1084150144 /nfs/dbraw/zinc/15/01/44/1084150144.db2.gz RABOJNJVPOZTSG-HMQMGEFJSA-N 1 3 307.482 2.382 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001491454977 1084323718 /nfs/dbraw/zinc/32/37/18/1084323718.db2.gz NGINDBNSIAIMDZ-FUHWJXTLSA-N 1 3 317.477 2.462 20 0 DEADHO CC(C)(C)OC(=O)NCCN1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235232437 1084353814 /nfs/dbraw/zinc/35/38/14/1084353814.db2.gz IVIVXIQAWJEBRC-OAHLLOKOSA-N 1 3 311.470 2.365 20 0 DEADHO Cc1cccc(CN2CCC[C@]23CCN(CC[NH+](C)C)C3=O)c1 ZINC001272907234 1084458654 /nfs/dbraw/zinc/45/86/54/1084458654.db2.gz PTVIVGWJNFTKDE-LJQANCHMSA-N 1 3 315.461 2.124 20 0 DEADHO CC/C=C/CCN1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001235587132 1084471209 /nfs/dbraw/zinc/47/12/09/1084471209.db2.gz CDUAWSHPSZEBGH-AFYXXPPBSA-N 1 3 309.498 2.462 20 0 DEADHO N[C@@H]1CN(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC[C@H]1F ZINC001235911572 1084563134 /nfs/dbraw/zinc/56/31/34/1084563134.db2.gz WJAKWTGLNXBQBT-KZNAEPCWSA-N 1 3 305.441 2.412 20 0 DEADHO N[C@@H]1CN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)CC[C@H]1F ZINC001235911572 1084563140 /nfs/dbraw/zinc/56/31/40/1084563140.db2.gz WJAKWTGLNXBQBT-KZNAEPCWSA-N 1 3 305.441 2.412 20 0 DEADHO CC(C)(C)Oc1cccc(CN2CCC[C@@H](N3CC([NH3+])C3)C2)c1 ZINC001236080298 1084608700 /nfs/dbraw/zinc/60/87/00/1084608700.db2.gz VGOOAJFSZWYHNI-QGZVFWFLSA-N 1 3 317.477 2.471 20 0 DEADHO CC[N@H+](C)CCC(=O)N(C)C[C@H](C)NCc1ccccc1F ZINC001485940260 1085008077 /nfs/dbraw/zinc/00/80/77/1085008077.db2.gz HOCTUMNVOBPATL-AWEZNQCLSA-N 1 3 309.429 2.104 20 0 DEADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)NCc1ccccc1F ZINC001485940260 1085008083 /nfs/dbraw/zinc/00/80/83/1085008083.db2.gz HOCTUMNVOBPATL-AWEZNQCLSA-N 1 3 309.429 2.104 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C[NH2+]CCC1CC1)C(C)(C)C)N(C)C ZINC001486412046 1085281951 /nfs/dbraw/zinc/28/19/51/1085281951.db2.gz WKJLQPYNUPJAAZ-HZPDHXFCSA-N 1 3 311.514 2.493 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C1CC[NH+](CC[C@@H](C)F)CC1 ZINC001486441216 1085325500 /nfs/dbraw/zinc/32/55/00/1085325500.db2.gz MXJYQLUCVSTHRL-HUUCEWRRSA-N 1 3 315.477 2.293 20 0 DEADHO CC1CC(C[N@H+](C)C[C@H]2CCCN2C(=O)C2(N(C)C)CCC2)C1 ZINC000960689010 1085413933 /nfs/dbraw/zinc/41/39/33/1085413933.db2.gz IPMCTPDGZGDDFV-OFLPRAFFSA-N 1 3 321.509 2.440 20 0 DEADHO CC1CC(C[N@@H+](C)C[C@H]2CCCN2C(=O)C2(N(C)C)CCC2)C1 ZINC000960689010 1085413938 /nfs/dbraw/zinc/41/39/38/1085413938.db2.gz IPMCTPDGZGDDFV-OFLPRAFFSA-N 1 3 321.509 2.440 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000961339490 1085695367 /nfs/dbraw/zinc/69/53/67/1085695367.db2.gz HMYSIYGENBVSAR-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000961339490 1085695373 /nfs/dbraw/zinc/69/53/73/1085695373.db2.gz HMYSIYGENBVSAR-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCN(CC(=O)NC2CC(C[NH2+]Cc3ccccc3)C2)C1 ZINC000962309065 1086060526 /nfs/dbraw/zinc/06/05/26/1086060526.db2.gz KHXRWJRIMGMQRV-ZLPCBKJTSA-N 1 3 315.461 2.013 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+][C@H]1CCc2ccccc21 ZINC001128532938 1086186520 /nfs/dbraw/zinc/18/65/20/1086186520.db2.gz BPDSLJUZUHJACG-SJORKVTESA-N 1 3 321.440 2.060 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@@H](C)c1ccccc1 ZINC001128543791 1086207048 /nfs/dbraw/zinc/20/70/48/1086207048.db2.gz FUIVRABKVPTOCZ-HOCLYGCPSA-N 1 3 309.429 2.133 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)C2CCC([NH2+]CC3CC3)CC2)C1 ZINC000963912601 1086596716 /nfs/dbraw/zinc/59/67/16/1086596716.db2.gz NPPLZNARQBQFMP-OOHWJJMZSA-N 1 3 307.482 2.097 20 0 DEADHO CCC[NH+]1CCC2(CCN(C(=O)[C@@H](CC)N(C)C)CC2)CC1 ZINC000957568065 1088417132 /nfs/dbraw/zinc/41/71/32/1088417132.db2.gz CLGNWPSFMJZOMB-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[NH+]1CCC2(CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000957644746 1088490612 /nfs/dbraw/zinc/49/06/12/1088490612.db2.gz GOCNUDYZICHDAS-UHFFFAOYSA-N 1 3 307.482 2.197 20 0 DEADHO CC1CC(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C34CCCN3CCC4)C2)C1 ZINC001080037948 1088592028 /nfs/dbraw/zinc/59/20/28/1088592028.db2.gz WOTSROCDPXCORU-MNAZLIDISA-N 1 3 319.493 2.097 20 0 DEADHO CC1CC(C[N@H+]2C[C@@H](C)[C@H](NC(=O)C34CCCN3CCC4)C2)C1 ZINC001080037948 1088592037 /nfs/dbraw/zinc/59/20/37/1088592037.db2.gz WOTSROCDPXCORU-MNAZLIDISA-N 1 3 319.493 2.097 20 0 DEADHO CCC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)CN3CC[C@H](C)C3)[C@@H]2C1 ZINC001114831836 1088919166 /nfs/dbraw/zinc/91/91/66/1088919166.db2.gz GRTDQOIWLMMUGJ-RADTVZSXSA-N 1 3 319.493 2.121 20 0 DEADHO CCC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)CN3CC[C@H](C)C3)[C@@H]2C1 ZINC001114831836 1088919181 /nfs/dbraw/zinc/91/91/81/1088919181.db2.gz GRTDQOIWLMMUGJ-RADTVZSXSA-N 1 3 319.493 2.121 20 0 DEADHO C[NH+](C)CCN1CC[C@@]2(C1)CCCN(Cc1ccc(F)cn1)C2 ZINC001276343326 1089131686 /nfs/dbraw/zinc/13/16/86/1089131686.db2.gz GSURPROEMJPEBU-GOSISDBHSA-N 1 3 320.456 2.070 20 0 DEADHO CC[NH2+]C[C@@H]1c2ccccc2CCN1C(=O)[C@H](CC)N(C)C ZINC000958803462 1089192894 /nfs/dbraw/zinc/19/28/94/1089192894.db2.gz UZRXKARQYINRFW-DLBZAZTESA-N 1 3 303.450 2.062 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1)N(C)C ZINC000960042662 1089919869 /nfs/dbraw/zinc/91/98/69/1089919869.db2.gz ILLOQJQDJNFOJC-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]CC2CCCC2)C1 ZINC000960132721 1089976803 /nfs/dbraw/zinc/97/68/03/1089976803.db2.gz ZHMJXJIVUHBMNX-AEFFLSMTSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCC2)C1 ZINC001082507250 1089995687 /nfs/dbraw/zinc/99/56/87/1089995687.db2.gz IXWYCSDERJWFJV-OIISXLGYSA-N 1 3 307.482 2.096 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2=CCCCC2)C1)N(C)C ZINC001082589275 1090012430 /nfs/dbraw/zinc/01/24/30/1090012430.db2.gz SUFKPOLCQBKROB-DJIMGWMZSA-N 1 3 307.482 2.264 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C)C1)N(C)C ZINC001082588985 1090012770 /nfs/dbraw/zinc/01/27/70/1090012770.db2.gz BDSGVKSMXUOUNC-KBAYOESNSA-N 1 3 317.477 2.272 20 0 DEADHO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)c1ccccc1 ZINC001082767031 1090072783 /nfs/dbraw/zinc/07/27/83/1090072783.db2.gz OVXNVWLVEBBVKX-CKEIUWERSA-N 1 3 312.417 2.150 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001084338397 1090271745 /nfs/dbraw/zinc/27/17/45/1090271745.db2.gz QGRPDWMQIDBQJY-FGTMMUONSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001084338397 1090271752 /nfs/dbraw/zinc/27/17/52/1090271752.db2.gz QGRPDWMQIDBQJY-FGTMMUONSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](C(C)C)C[C@H]21 ZINC001084701731 1090402443 /nfs/dbraw/zinc/40/24/43/1090402443.db2.gz PCRXQGVCIBWFJC-IXDOHACOSA-N 1 3 307.482 2.190 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](C(C)C)C[C@H]21 ZINC001084701731 1090402445 /nfs/dbraw/zinc/40/24/45/1090402445.db2.gz PCRXQGVCIBWFJC-IXDOHACOSA-N 1 3 307.482 2.190 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)C[C@@H]21 ZINC001084938912 1090530205 /nfs/dbraw/zinc/53/02/05/1090530205.db2.gz KTGHYVRMBBHHNB-KURKYZTESA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)C[C@@H]21 ZINC001084938912 1090530209 /nfs/dbraw/zinc/53/02/09/1090530209.db2.gz KTGHYVRMBBHHNB-KURKYZTESA-N 1 3 321.509 2.438 20 0 DEADHO C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)NCc1ccccc1F ZINC001410433484 1090649673 /nfs/dbraw/zinc/64/96/73/1090649673.db2.gz IMKIAZKJFFFAHB-AWEZNQCLSA-N 1 3 321.440 2.104 20 0 DEADHO CC[C@H](C(=O)NC/C=C/C[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001274512254 1091277129 /nfs/dbraw/zinc/27/71/29/1091277129.db2.gz VNNQGVBMUXJQJD-DKRLNXSXSA-N 1 3 303.450 2.097 20 0 DEADHO CC(C)[C@H](C(=O)NC/C=C\C[NH2+]CC1=CCCCC1)N(C)C ZINC001274519107 1091281857 /nfs/dbraw/zinc/28/18/57/1091281857.db2.gz NLSGHTVZOOJMSX-XZVRFQMRSA-N 1 3 307.482 2.335 20 0 DEADHO CCc1ccccc1C[NH2+]C/C=C/CNC(=O)CN1CCCC1 ZINC001274579840 1091309720 /nfs/dbraw/zinc/30/97/20/1091309720.db2.gz XQALMKRNQSBNDP-AATRIKPKSA-N 1 3 315.461 2.107 20 0 DEADHO CCC[NH2+]CC[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001320551039 1091316699 /nfs/dbraw/zinc/31/66/99/1091316699.db2.gz ZTYCAYCJNNMUOR-XJKSGUPXSA-N 1 3 301.450 2.093 20 0 DEADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](CC1CCCC1)CC2 ZINC001275154363 1091588218 /nfs/dbraw/zinc/58/82/18/1091588218.db2.gz ZQVLPMGLHZBJCA-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO Cc1cccc(CN2CC3(C2)CC[N@@H+](CCN(C)C)C3)c1C ZINC001276228220 1091720153 /nfs/dbraw/zinc/72/01/53/1091720153.db2.gz MFKBLBUESFLHTH-UHFFFAOYSA-N 1 3 301.478 2.373 20 0 DEADHO Cc1cccc(CN2CC3(C2)CC[N@H+](CCN(C)C)C3)c1C ZINC001276228220 1091720160 /nfs/dbraw/zinc/72/01/60/1091720160.db2.gz MFKBLBUESFLHTH-UHFFFAOYSA-N 1 3 301.478 2.373 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+]CCCN(C)C(=O)Cc2c[nH]cn2)c1 ZINC001276245850 1091734000 /nfs/dbraw/zinc/73/40/00/1091734000.db2.gz XLSSGFVODOQOAV-OAHLLOKOSA-N 1 3 314.433 2.460 20 0 DEADHO C[NH+](C)CCN1CC[C@@]2(C1)CCCN(Cc1ccncc1F)C2 ZINC001276297653 1091771299 /nfs/dbraw/zinc/77/12/99/1091771299.db2.gz PAIXUNIAZLIMJH-GOSISDBHSA-N 1 3 320.456 2.070 20 0 DEADHO CN(C)CCN1CC[C@]2(CCC[N@@H+]2CC2CCCCC2)C1=O ZINC001273509239 1091891946 /nfs/dbraw/zinc/89/19/46/1091891946.db2.gz MNKUWCLMWJTPLG-GOSISDBHSA-N 1 3 307.482 2.195 20 0 DEADHO CN(C)CCN1CC[C@]2(CCC[N@H+]2CC2CCCCC2)C1=O ZINC001273509239 1091891956 /nfs/dbraw/zinc/89/19/56/1091891956.db2.gz MNKUWCLMWJTPLG-GOSISDBHSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@@H](C[N@H+](C)CC1=CCCCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001275649550 1091941769 /nfs/dbraw/zinc/94/17/69/1091941769.db2.gz VZXGHGHMPVOGBT-HOTGVXAUSA-N 1 3 307.482 2.265 20 0 DEADHO C[C@@H](C[N@@H+](C)CC1=CCCCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001275649550 1091941776 /nfs/dbraw/zinc/94/17/76/1091941776.db2.gz VZXGHGHMPVOGBT-HOTGVXAUSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1CC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001488956045 1092848133 /nfs/dbraw/zinc/84/81/33/1092848133.db2.gz YNTYRXNJYXHFNL-IXDOHACOSA-N 1 3 307.482 2.169 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]([NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001490736252 1093497688 /nfs/dbraw/zinc/49/76/88/1093497688.db2.gz DBVDCIGSGQSLMO-MRXNPFEDSA-N 1 3 318.465 2.181 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(C)[C@H]2CCCN(C)C2)C1 ZINC001351951135 1151636872 /nfs/dbraw/zinc/63/68/72/1151636872.db2.gz VRQCEQQKDRSYNG-ZACQAIPSSA-N 1 3 324.513 2.090 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)CCC(F)(F)F)C1 ZINC001420934479 1171360648 /nfs/dbraw/zinc/36/06/48/1171360648.db2.gz VQHCPYXSUVYYEI-CYBMUJFWSA-N 1 3 323.403 2.061 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)CCC(F)(F)F)C1 ZINC001420934479 1171360653 /nfs/dbraw/zinc/36/06/53/1171360653.db2.gz VQHCPYXSUVYYEI-CYBMUJFWSA-N 1 3 323.403 2.061 20 0 DEADHO C[C@H]1C[C@H](NCc2ccccc2Cl)CN1C(=O)CC[NH+](C)C ZINC001369396958 1148928196 /nfs/dbraw/zinc/92/81/96/1148928196.db2.gz DXQLPBCGDMMQDU-ZFWWWQNUSA-N 1 3 323.868 2.371 20 0 DEADHO Brc1cc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)ccn1 ZINC001236316078 1138350518 /nfs/dbraw/zinc/35/05/18/1138350518.db2.gz OSLSLYVRXPSISW-BETUJISGSA-N 1 3 310.239 2.276 20 0 DEADHO c1cc2n(c1CN([C@H]1CC[NH2+]C1)C1CCCCC1)CCNC2 ZINC001236650738 1138390137 /nfs/dbraw/zinc/39/01/37/1138390137.db2.gz DYVBALMQUWXWBW-KRWDZBQOSA-N 1 3 302.466 2.088 20 0 DEADHO Nc1ccc(CN(Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)cn1 ZINC001236676545 1138393122 /nfs/dbraw/zinc/39/31/22/1138393122.db2.gz JKURQTNPHUYYNZ-JCNLHEQBSA-N 1 3 311.433 2.331 20 0 DEADHO Nc1cnc(CN(Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)cn1 ZINC001236694464 1138396551 /nfs/dbraw/zinc/39/65/51/1138396551.db2.gz PDJQCKSSHCUUII-JCNLHEQBSA-N 1 3 311.433 2.331 20 0 DEADHO CN(C)CCC[N@@H+]1CCC[C@@]2(CCN(Cc3ccc[nH]3)C2)C1 ZINC001278049170 1138498025 /nfs/dbraw/zinc/49/80/25/1138498025.db2.gz HPDVOLIMARCQPG-GOSISDBHSA-N 1 3 304.482 2.254 20 0 DEADHO CN(C)CCC[N@H+]1CCC[C@@]2(CCN(Cc3ccc[nH]3)C2)C1 ZINC001278049170 1138498036 /nfs/dbraw/zinc/49/80/36/1138498036.db2.gz HPDVOLIMARCQPG-GOSISDBHSA-N 1 3 304.482 2.254 20 0 DEADHO CC/C=C\CCCN1CC[C@@H]2C[C@@]21C(=O)NC1CC[NH+](C)CC1 ZINC001278053645 1138504189 /nfs/dbraw/zinc/50/41/89/1138504189.db2.gz AEZXJMYWWZEBOP-NJGOIUGXSA-N 1 3 319.493 2.408 20 0 DEADHO Clc1ccc2c(c1)[C@@H]1C[N@@H+](CC[C@H]3CNCCO3)CC[C@H]1N2 ZINC001237237813 1138547498 /nfs/dbraw/zinc/54/74/98/1138547498.db2.gz XWMKUFPFLGMFQA-JLJPHGGASA-N 1 3 321.852 2.302 20 0 DEADHO Clc1ccc2c(c1)[C@@H]1C[N@H+](CC[C@H]3CNCCO3)CC[C@H]1N2 ZINC001237237813 1138547499 /nfs/dbraw/zinc/54/74/99/1138547499.db2.gz XWMKUFPFLGMFQA-JLJPHGGASA-N 1 3 321.852 2.302 20 0 DEADHO CCOC(=O)[C@@H]1CN(Cc2c(C)cccc2F)CCC12C[NH2+]C2 ZINC001237429638 1138620479 /nfs/dbraw/zinc/62/04/79/1138620479.db2.gz GKWIHANRKKXSSF-HNNXBMFYSA-N 1 3 320.408 2.109 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCF)C1CCCC1 ZINC001278240738 1138852977 /nfs/dbraw/zinc/85/29/77/1138852977.db2.gz FMRKSXGUXYIWLK-CVEARBPZSA-N 1 3 313.461 2.095 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CNCCF)C1CCCC1 ZINC001278240738 1138852980 /nfs/dbraw/zinc/85/29/80/1138852980.db2.gz FMRKSXGUXYIWLK-CVEARBPZSA-N 1 3 313.461 2.095 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](CNCCF)C1CCCC1 ZINC001278240738 1138852982 /nfs/dbraw/zinc/85/29/82/1138852982.db2.gz FMRKSXGUXYIWLK-CVEARBPZSA-N 1 3 313.461 2.095 20 0 DEADHO CC(C)(C)C(=O)Nc1ccc(CN)nc1-c1cncc(C[NH3+])c1 ZINC001239791894 1139117120 /nfs/dbraw/zinc/11/71/20/1139117120.db2.gz MSZFPMHHULLUHE-UHFFFAOYSA-N 1 3 313.405 2.046 20 0 DEADHO c1ccc(CN2CCC=C(c3cc4c(nn3)CC[NH2+]C4)C2)cc1 ZINC001240385639 1139353208 /nfs/dbraw/zinc/35/32/08/1139353208.db2.gz CKECCTZANNDOQO-UHFFFAOYSA-N 1 3 306.413 2.412 20 0 DEADHO CN1CCN(C2(c3ccc(-c4c[nH+]ccc4N)cc3)CC2)CC1 ZINC001240589062 1139448979 /nfs/dbraw/zinc/44/89/79/1139448979.db2.gz MDVLRRWKJJKEKR-UHFFFAOYSA-N 1 3 308.429 2.398 20 0 DEADHO Fc1ccc(-c2cnn(C3C[NH2+]C3)c2)cc1CN1CCCC1 ZINC001241614161 1139834944 /nfs/dbraw/zinc/83/49/44/1139834944.db2.gz KWSYJGNBMOKTGF-UHFFFAOYSA-N 1 3 300.381 2.429 20 0 DEADHO Nc1ccnc2cc(-c3ccnc(N4CC[NH2+]CC4)c3)ccc12 ZINC001242396556 1139898771 /nfs/dbraw/zinc/89/87/71/1139898771.db2.gz LJYJVWGCQZQKBJ-UHFFFAOYSA-N 1 3 305.385 2.289 20 0 DEADHO COC(=O)c1cc(-c2cc(N3CC[NH2+]CC3)ccn2)ccc1F ZINC001243288520 1140104436 /nfs/dbraw/zinc/10/44/36/1140104436.db2.gz HQWXKYDOOZNATA-UHFFFAOYSA-N 1 3 315.348 2.084 20 0 DEADHO CCCC[C@H](CC)COC[C@H](O)C[NH2+]CC1(N)CCCC1 ZINC001245971272 1140840112 /nfs/dbraw/zinc/84/01/12/1140840112.db2.gz AEVAPUHVJDJWEQ-JKSUJKDBSA-N 1 3 300.487 2.441 20 0 DEADHO CC(C)c1ccc(OC[C@H](O)CNC[C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC001245981466 1140841104 /nfs/dbraw/zinc/84/11/04/1140841104.db2.gz HHSAOEZTRFLXME-BPQIPLTHSA-N 1 3 320.477 2.385 20 0 DEADHO CCCC[C@H](CC)COC[C@@H](O)C[NH2+][C@@H]1CCCCNC1 ZINC001245997693 1140843777 /nfs/dbraw/zinc/84/37/77/1140843777.db2.gz XHCQBUQKQHGUEE-BBWFWOEESA-N 1 3 300.487 2.312 20 0 DEADHO O[C@@H](CN[C@@H](C1CCC1)C1C[NH2+]C1)COc1ccc(Cl)cc1 ZINC001246017559 1140846092 /nfs/dbraw/zinc/84/60/92/1140846092.db2.gz BOIFBAVXDCCZRF-RDJZCZTQSA-N 1 3 324.852 2.057 20 0 DEADHO [NH3+]C[C@]1(F)CCCN(C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC001246019662 1140847513 /nfs/dbraw/zinc/84/75/13/1140847513.db2.gz JFSLYWIUSAKHKJ-GJZGRUSLSA-N 1 3 302.340 2.151 20 0 DEADHO O=C(c1ccccc1)N1CCC[C@@H](N[C@H]2CCCC[NH2+]C2)CC1 ZINC001246089320 1140859708 /nfs/dbraw/zinc/85/97/08/1140859708.db2.gz COFPMWZLLGZHAK-MSOLQXFVSA-N 1 3 315.461 2.413 20 0 DEADHO Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H](F)CN2)CCN1 ZINC001246089347 1140859883 /nfs/dbraw/zinc/85/98/83/1140859883.db2.gz CXGHQTXKFBKKMF-QBYUYEEZSA-N 1 3 309.404 2.217 20 0 DEADHO COc1ccc(Cl)c2c1C[C@@H]([NH2+][C@H]1[C@@H]3C[C@H]1CNC3)CC2 ZINC001246144091 1140866084 /nfs/dbraw/zinc/86/60/84/1140866084.db2.gz BGHVVLRFLKDIIR-HBGPKNEHSA-N 1 3 306.837 2.403 20 0 DEADHO Clc1cccc2c1CC[C@H]([NH2+][C@@H]1[C@H]3CNC[C@@H]1COC3)C2 ZINC001246144970 1140866272 /nfs/dbraw/zinc/86/62/72/1140866272.db2.gz CKHYQWMRDPTPOK-QDEZUTFSSA-N 1 3 306.837 2.021 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)CCN1 ZINC001246354626 1140887454 /nfs/dbraw/zinc/88/74/54/1140887454.db2.gz XKLKZKCOROVNTC-UKRRQHHQSA-N 1 3 319.424 2.160 20 0 DEADHO NC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246420706 1140896271 /nfs/dbraw/zinc/89/62/71/1140896271.db2.gz YTTYEWHUZCCDNB-ZACQAIPSSA-N 1 3 303.450 2.285 20 0 DEADHO Cc1ccc(C2(CN[C@@H]3CC[NH2+][C@@H](C)C3)CCOCC2)nc1 ZINC001246437957 1140898738 /nfs/dbraw/zinc/89/87/38/1140898738.db2.gz GLNMLLMHRNEOJU-JKSUJKDBSA-N 1 3 303.450 2.168 20 0 DEADHO Cc1ccc(C2(C[NH2+][C@@H]3CCN[C@@H](C)C3)CCOCC2)nc1 ZINC001246437957 1140898741 /nfs/dbraw/zinc/89/87/41/1140898741.db2.gz GLNMLLMHRNEOJU-JKSUJKDBSA-N 1 3 303.450 2.168 20 0 DEADHO Cc1ccc(C2(CN[C@@H]3CC[NH2+][C@H](C)C3)CCOCC2)nc1 ZINC001246437956 1140899107 /nfs/dbraw/zinc/89/91/07/1140899107.db2.gz GLNMLLMHRNEOJU-HZPDHXFCSA-N 1 3 303.450 2.168 20 0 DEADHO Cc1ccc(C2(C[NH2+][C@@H]3CCN[C@H](C)C3)CCOCC2)nc1 ZINC001246437956 1140899108 /nfs/dbraw/zinc/89/91/08/1140899108.db2.gz GLNMLLMHRNEOJU-HZPDHXFCSA-N 1 3 303.450 2.168 20 0 DEADHO CN[C@H]1C[C@H]([NH2+]C2CCC(OC(=O)c3ccccc3)CC2)C1 ZINC001246464363 1140911826 /nfs/dbraw/zinc/91/18/26/1140911826.db2.gz ZKQSCDHOVGUDGQ-JLYIEGTKSA-N 1 3 302.418 2.495 20 0 DEADHO C[C@@H]1C[C@H](N2C[C@@H]([NH3+])CC(F)(F)C2)CN1Cc1ccccc1 ZINC001246585453 1140987363 /nfs/dbraw/zinc/98/73/63/1140987363.db2.gz KRMGMOYGHNWRQA-KBMXLJTQSA-N 1 3 309.404 2.318 20 0 DEADHO C[C@H](CC(C)(C)SCc1ccco1)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246587927 1140990616 /nfs/dbraw/zinc/99/06/16/1140990616.db2.gz WWYNZCJBBOHTOX-IPYPFGDCSA-N 1 3 312.479 2.321 20 0 DEADHO C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246587927 1140990621 /nfs/dbraw/zinc/99/06/21/1140990621.db2.gz WWYNZCJBBOHTOX-IPYPFGDCSA-N 1 3 312.479 2.321 20 0 DEADHO Cc1cc(F)ccc1[C@H]1C[C@H](N2CC[C@@H](F)[C@@H](N)C2)CC[NH2+]1 ZINC001246822325 1141075666 /nfs/dbraw/zinc/07/56/66/1141075666.db2.gz YOPRFXFUFNCSFA-MXASKKJJSA-N 1 3 309.404 2.298 20 0 DEADHO C[C@H]1C[C@H](N2CCCN(Cc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001246824376 1141076834 /nfs/dbraw/zinc/07/68/34/1141076834.db2.gz RMHVOUCFLWUDPS-MAUKXSAKSA-N 1 3 305.441 2.474 20 0 DEADHO CC[C@H](F)CNC/C=C\CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001321281773 1141121759 /nfs/dbraw/zinc/12/17/59/1141121759.db2.gz SLSOLJZXPUSKQP-UWUBPMADSA-N 1 3 313.461 2.261 20 0 DEADHO C[C@@H]1C[C@@H](N2CC[C@]3(c4ccccc4OC3=O)C2(C)C)CC[NH2+]1 ZINC001246925817 1141127112 /nfs/dbraw/zinc/12/71/12/1141127112.db2.gz PSNBOWIVWGRKQQ-BIENJYKASA-N 1 3 314.429 2.468 20 0 DEADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@]3(c4ccccc4OC3=O)C2(C)C)CCN1 ZINC001246925817 1141127150 /nfs/dbraw/zinc/12/71/50/1141127150.db2.gz PSNBOWIVWGRKQQ-BIENJYKASA-N 1 3 314.429 2.468 20 0 DEADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@]3(c4ccccc4OC3=O)C2(C)C)CCN1 ZINC001246925817 1141127201 /nfs/dbraw/zinc/12/72/01/1141127201.db2.gz PSNBOWIVWGRKQQ-BIENJYKASA-N 1 3 314.429 2.468 20 0 DEADHO COC(=O)[C@H]1CN([C@H]2CC[NH2+][C@H](C)C2)C[C@@H]1c1ccccc1 ZINC001246993501 1141229748 /nfs/dbraw/zinc/22/97/48/1141229748.db2.gz HNKAFPQRCLEIRY-XBVQOTNRSA-N 1 3 302.418 2.016 20 0 DEADHO C[NH+](C)Cc1cccc(C(=O)NC/C=C/CNC/C=C/Cl)c1 ZINC001321418218 1141242951 /nfs/dbraw/zinc/24/29/51/1141242951.db2.gz XZUBIJWGCHIVIZ-JAFPNSLJSA-N 1 3 321.852 2.376 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CCC1CC1 ZINC001322368501 1141542979 /nfs/dbraw/zinc/54/29/79/1141542979.db2.gz BVDQJFSRHRNOKH-CVEARBPZSA-N 1 3 318.465 2.325 20 0 DEADHO CC[C@H](C(=O)N(C)CCC[NH2+][C@@H]1CCc2ccccc21)N(C)C ZINC001322793691 1141717792 /nfs/dbraw/zinc/71/77/92/1141717792.db2.gz UXVKUAANXNIAAM-QZTJIDSGSA-N 1 3 317.477 2.452 20 0 DEADHO CCCC[C@@H](O)C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC001252115928 1142644804 /nfs/dbraw/zinc/64/48/04/1142644804.db2.gz UKFWVVVUAQCMBH-GOSISDBHSA-N 1 3 320.477 2.154 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](NC[C@@H](O)COCc2ccccc2)[C@H](C)C1 ZINC001252310267 1142681989 /nfs/dbraw/zinc/68/19/89/1142681989.db2.gz IOFGIEIHZWHRGF-QRQLOZEOSA-N 1 3 320.477 2.273 20 0 DEADHO CC(C)[N@H+]1CC[C@H](NC[C@@H](O)COCc2ccccc2)[C@H](C)C1 ZINC001252310267 1142681992 /nfs/dbraw/zinc/68/19/92/1142681992.db2.gz IOFGIEIHZWHRGF-QRQLOZEOSA-N 1 3 320.477 2.273 20 0 DEADHO Cc1cc(N2CCN(C[C@](C)(O)c3ccccc3)CC2)cc[nH+]1 ZINC001253105401 1142844482 /nfs/dbraw/zinc/84/44/82/1142844482.db2.gz JPQKOVQPHMMQPV-IBGZPJMESA-N 1 3 311.429 2.420 20 0 DEADHO CC[NH+](CC)C[C@H](O)CN[C@H]1CCc2ccc(Cl)cc2C1 ZINC001253209985 1142854608 /nfs/dbraw/zinc/85/46/08/1142854608.db2.gz KHTJHTRQMNOLNM-DLBZAZTESA-N 1 3 310.869 2.490 20 0 DEADHO CCN(CC)C[C@H](O)C[NH2+]C1(Cc2ccc(OC)cc2)CC1 ZINC001253211527 1142854687 /nfs/dbraw/zinc/85/46/87/1142854687.db2.gz GTDLLPSDTGFGKF-MRXNPFEDSA-N 1 3 306.450 2.063 20 0 DEADHO CCN(CC)C[C@H](O)C[NH2+]CCc1ccc2ccccc2n1 ZINC001253213500 1142854810 /nfs/dbraw/zinc/85/48/10/1142854810.db2.gz MJHBFMHFNZEAEA-QGZVFWFLSA-N 1 3 301.434 2.070 20 0 DEADHO CCN(CC)C[C@@H](O)C[NH2+][C@H]1CSc2c(cccc2OC)C1 ZINC001253212951 1142855126 /nfs/dbraw/zinc/85/51/26/1142855126.db2.gz JNGKPTLHQYHFGA-CABCVRRESA-N 1 3 324.490 2.004 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCNC[C@@H](O)CC1(CO)CCCC1 ZINC001338447665 1142856523 /nfs/dbraw/zinc/85/65/23/1142856523.db2.gz OBWZUCTUVSEKKJ-IRXDYDNUSA-N 1 3 312.498 2.144 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCNC[C@@H](O)CC1(CO)CCCC1 ZINC001338447665 1142856524 /nfs/dbraw/zinc/85/65/24/1142856524.db2.gz OBWZUCTUVSEKKJ-IRXDYDNUSA-N 1 3 312.498 2.144 20 0 DEADHO C[C@H]1CCCCN1CCC[NH2+]C[C@@H](O)CC1(CO)CCCC1 ZINC001338447665 1142856525 /nfs/dbraw/zinc/85/65/25/1142856525.db2.gz OBWZUCTUVSEKKJ-IRXDYDNUSA-N 1 3 312.498 2.144 20 0 DEADHO CCN(CCC[NH+](C)C)C[C@H](O)CCOCc1ccccc1 ZINC001253282956 1142860953 /nfs/dbraw/zinc/86/09/53/1142860953.db2.gz ZRFUNIHWTGDLFV-GOSISDBHSA-N 1 3 308.466 2.228 20 0 DEADHO Cc1ccc(OC[C@@H](O)C[NH2+]CCCN2CCCCC2)cc1 ZINC001253844604 1142982986 /nfs/dbraw/zinc/98/29/86/1142982986.db2.gz UNKWBKLXWSVOJC-KRWDZBQOSA-N 1 3 306.450 2.200 20 0 DEADHO NCCC[NH2+]CCCCn1cc(CCCc2ccccc2)nn1 ZINC001254164835 1143050818 /nfs/dbraw/zinc/05/08/18/1143050818.db2.gz XTXVTTIFSJMKJD-UHFFFAOYSA-N 1 3 315.465 2.172 20 0 DEADHO CN1CCC[C@@H]([NH2+]Cc2ccc(N3CCCCC3=O)nc2)CC1 ZINC001254511083 1143163491 /nfs/dbraw/zinc/16/34/91/1143163491.db2.gz UXVVWIOLDYAAJD-MRXNPFEDSA-N 1 3 316.449 2.172 20 0 DEADHO COC(=O)C[C@@H]([NH2+][C@@H]1CCCN(C)CC1)c1cccc(OC)c1 ZINC001254511463 1143168333 /nfs/dbraw/zinc/16/83/33/1143168333.db2.gz ADMXBCPULBZGCS-NVXWUHKLSA-N 1 3 320.433 2.373 20 0 DEADHO Cc1cncnc1O[C@@H]1CCC[N@@H+]([C@H]2CCCN(C)CC2)C1 ZINC001254531596 1143232744 /nfs/dbraw/zinc/23/27/44/1143232744.db2.gz HUTHRGTUGNVPQH-JKSUJKDBSA-N 1 3 304.438 2.113 20 0 DEADHO Cc1cncnc1O[C@@H]1CCC[N@H+]([C@H]2CCCN(C)CC2)C1 ZINC001254531596 1143232762 /nfs/dbraw/zinc/23/27/62/1143232762.db2.gz HUTHRGTUGNVPQH-JKSUJKDBSA-N 1 3 304.438 2.113 20 0 DEADHO C[C@H](CN)C[N@H+](C)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254972606 1143377100 /nfs/dbraw/zinc/37/71/00/1143377100.db2.gz UVXJPAXCCNQILO-BARDWOONSA-N 1 3 311.470 2.301 20 0 DEADHO C[C@H](CN)C[N@@H+](C)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254972606 1143377108 /nfs/dbraw/zinc/37/71/08/1143377108.db2.gz UVXJPAXCCNQILO-BARDWOONSA-N 1 3 311.470 2.301 20 0 DEADHO O=C1CC[C@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)N1 ZINC001255124753 1143433029 /nfs/dbraw/zinc/43/30/29/1143433029.db2.gz NRPRLYUQHPUKSM-TVFCKZIOSA-N 1 3 313.445 2.050 20 0 DEADHO O=C1CC[C@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)N1 ZINC001255124753 1143433050 /nfs/dbraw/zinc/43/30/50/1143433050.db2.gz NRPRLYUQHPUKSM-TVFCKZIOSA-N 1 3 313.445 2.050 20 0 DEADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H](N1CCC([NH+]3CCC3)CC1)C2 ZINC001255219726 1143514664 /nfs/dbraw/zinc/51/46/64/1143514664.db2.gz VVLWMNMCEVPMGQ-BJWYYQGGSA-N 1 3 321.465 2.308 20 0 DEADHO CC(C)NC(=O)C[NH2+][C@H]1CCCN(Cc2ccccc2)CC1 ZINC001255384123 1143587025 /nfs/dbraw/zinc/58/70/25/1143587025.db2.gz TYLRTFSECYBTHB-KRWDZBQOSA-N 1 3 303.450 2.155 20 0 DEADHO CN1CC2(C1)CC[NH+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)CC2 ZINC001255609133 1143779957 /nfs/dbraw/zinc/77/99/57/1143779957.db2.gz QVAKDISOUASIAE-AWEZNQCLSA-N 1 3 309.454 2.023 20 0 DEADHO CCCN1C[C@@H]2C[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC001255609151 1143781297 /nfs/dbraw/zinc/78/12/97/1143781297.db2.gz REUHZMBGBPEPOO-BZUAXINKSA-N 1 3 323.481 2.269 20 0 DEADHO CCN(CC)CC[C@H](C)[NH2+]CC1CCN(c2ncccn2)CC1 ZINC001255953076 1143816632 /nfs/dbraw/zinc/81/66/32/1143816632.db2.gz IGVNWCRXDJTVAD-INIZCTEOSA-N 1 3 319.497 2.403 20 0 DEADHO Cc1cc2c(cc1C[NH2+]C1C[C@H]3CC[C@@H](C1)N3C)OCCO2 ZINC001256612480 1143857187 /nfs/dbraw/zinc/85/71/87/1143857187.db2.gz IVEKAEBUOIDJMK-MQVJKMGUSA-N 1 3 302.418 2.481 20 0 DEADHO c1ccc(C2([NH2+]C3CCC(N4CCOCC4)CC3)CC2)nc1 ZINC001256679946 1143861911 /nfs/dbraw/zinc/86/19/11/1143861911.db2.gz WJZHOYAIAGPZSA-UHFFFAOYSA-N 1 3 301.434 2.304 20 0 DEADHO CCN(CC)[C@@H]1CC[N@@H+](C2CCC(N3CCOCC3)CC2)C1 ZINC001256699449 1143863460 /nfs/dbraw/zinc/86/34/60/1143863460.db2.gz ZHYOKAIVNYPRFW-DAWZGUTISA-N 1 3 309.498 2.046 20 0 DEADHO CCN(CC)[C@@H]1CC[N@H+](C2CCC(N3CCOCC3)CC2)C1 ZINC001256699449 1143863462 /nfs/dbraw/zinc/86/34/62/1143863462.db2.gz ZHYOKAIVNYPRFW-DAWZGUTISA-N 1 3 309.498 2.046 20 0 DEADHO C[NH+](C)CCN1CCN([C@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC001256806658 1143867709 /nfs/dbraw/zinc/86/77/09/1143867709.db2.gz HZNRQBVTLKKZSM-OALUTQOASA-N 1 3 317.477 2.086 20 0 DEADHO C[C@@H](CN)C[NH2+]C1C[C@H]2C[C@@H](C1)CN(C(=O)OC(C)(C)C)C2 ZINC001257843281 1143955274 /nfs/dbraw/zinc/95/52/74/1143955274.db2.gz TZFDDWSXDLKQKR-RDGKXADDSA-N 1 3 311.470 2.206 20 0 DEADHO CC(C)CN1CCC([NH+]2CCC3(CCCC(=O)N3)CC2)CC1 ZINC001258014100 1143965791 /nfs/dbraw/zinc/96/57/91/1143965791.db2.gz BXLAUNJBIPJJOT-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO CCOCC[NH+](CCOCC)C1CCN(CC(C)C)CC1 ZINC001258016100 1143965817 /nfs/dbraw/zinc/96/58/17/1143965817.db2.gz APWCIAFZKWUTIC-UHFFFAOYSA-N 1 3 300.487 2.482 20 0 DEADHO CN1CCC[C@@H]1CC[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC001258638348 1144029765 /nfs/dbraw/zinc/02/97/65/1144029765.db2.gz HDPKLXJLBMAMPI-GOSISDBHSA-N 1 3 315.461 2.365 20 0 DEADHO CNC(=O)C[N@@H+]1CCCC12CCN([C@H]1CCC[C@H](C)C1)CC2 ZINC001258820616 1144043976 /nfs/dbraw/zinc/04/39/76/1144043976.db2.gz MNALSDVRWNGDOF-HOTGVXAUSA-N 1 3 307.482 2.242 20 0 DEADHO CNC(=O)C[N@H+]1CCCC12CCN([C@H]1CCC[C@H](C)C1)CC2 ZINC001258820616 1144043980 /nfs/dbraw/zinc/04/39/80/1144043980.db2.gz MNALSDVRWNGDOF-HOTGVXAUSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@H]1CC[NH2+]CCC1CC1 ZINC001263955510 1144431759 /nfs/dbraw/zinc/43/17/59/1144431759.db2.gz MDZILEFKCMTBFJ-PBHICJAKSA-N 1 3 318.465 2.359 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CCCF ZINC001265094306 1144642045 /nfs/dbraw/zinc/64/20/45/1144642045.db2.gz CZZUTGCKSWGCFA-HUUCEWRRSA-N 1 3 301.450 2.045 20 0 DEADHO C[NH+](C)CCCCC(=O)N[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001265312489 1144690939 /nfs/dbraw/zinc/69/09/39/1144690939.db2.gz OXFGYGPGTSCGCJ-QGZVFWFLSA-N 1 3 307.482 2.409 20 0 DEADHO CCCCCC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001265451439 1144704775 /nfs/dbraw/zinc/70/47/75/1144704775.db2.gz OOYPDRJNBAPIIK-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]CCC(F)(F)F)C1)N(C)C ZINC001265612876 1144717925 /nfs/dbraw/zinc/71/79/25/1144717925.db2.gz DBTHREHJNBTVOZ-CHWSQXEVSA-N 1 3 323.403 2.107 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[N@@H+](C)CC[C@H](C)F ZINC001265933022 1144761878 /nfs/dbraw/zinc/76/18/78/1144761878.db2.gz DJBVGGLVRQORBC-HOTGVXAUSA-N 1 3 315.477 2.436 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[N@H+](C)CC[C@H](C)F ZINC001265933022 1144761881 /nfs/dbraw/zinc/76/18/81/1144761881.db2.gz DJBVGGLVRQORBC-HOTGVXAUSA-N 1 3 315.477 2.436 20 0 DEADHO CCCCC[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001266076047 1144803127 /nfs/dbraw/zinc/80/31/27/1144803127.db2.gz VGHHJKAEMSNRIO-CABCVRRESA-N 1 3 306.454 2.468 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1(C[NH2+]CCF)CCCCC1 ZINC001282626968 1145100969 /nfs/dbraw/zinc/10/09/69/1145100969.db2.gz BIKZHYZPVXWWNW-GASCZTMLSA-N 1 3 313.461 2.237 20 0 DEADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+]([C@H](C)[C@H](C)O)C2)ccn1 ZINC001364477127 1145282968 /nfs/dbraw/zinc/28/29/68/1145282968.db2.gz CXVOHBOWKLNGIY-RVKKMQEKSA-N 1 3 321.465 2.144 20 0 DEADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+]([C@H](C)[C@H](C)O)C2)ccn1 ZINC001364477127 1145282975 /nfs/dbraw/zinc/28/29/75/1145282975.db2.gz CXVOHBOWKLNGIY-RVKKMQEKSA-N 1 3 321.465 2.144 20 0 DEADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]Cc2ccc3c[nH]nc3c2)CC1 ZINC001364615044 1145380427 /nfs/dbraw/zinc/38/04/27/1145380427.db2.gz CKDRKGQUHMQWDI-ROUUACIJSA-N 1 3 314.433 2.030 20 0 DEADHO O=C(NCCN1CCCCC1)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001365417837 1145867589 /nfs/dbraw/zinc/86/75/89/1145867589.db2.gz PXNPCVYFUITWBW-KRWDZBQOSA-N 1 3 322.497 2.179 20 0 DEADHO O=C(NCCN1CCCCC1)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001365417837 1145867590 /nfs/dbraw/zinc/86/75/90/1145867590.db2.gz PXNPCVYFUITWBW-KRWDZBQOSA-N 1 3 322.497 2.179 20 0 DEADHO c1c(CNC2CCN(c3cc[nH+]cc3)CC2)nn2c1CCCC2 ZINC001365499712 1145881520 /nfs/dbraw/zinc/88/15/20/1145881520.db2.gz RBYYCGDNFOKHSZ-UHFFFAOYSA-N 1 3 311.433 2.373 20 0 DEADHO Cc1cc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc(C)n1 ZINC001365511568 1145884116 /nfs/dbraw/zinc/88/41/16/1145884116.db2.gz RIILZYCGHVVNKV-KXBFYZLASA-N 1 3 316.493 2.156 20 0 DEADHO Cc1cc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc(C)n1 ZINC001365511568 1145884117 /nfs/dbraw/zinc/88/41/17/1145884117.db2.gz RIILZYCGHVVNKV-KXBFYZLASA-N 1 3 316.493 2.156 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cncs2)C1 ZINC001491894555 1146962893 /nfs/dbraw/zinc/96/28/93/1146962893.db2.gz ANSXVHFWARDZAS-UONOGXRCSA-N 1 3 324.494 2.000 20 0 DEADHO CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001366026734 1147015963 /nfs/dbraw/zinc/01/59/63/1147015963.db2.gz YGCHFRSPCAXNPK-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]([NH2+]CC1CCCC1)C1CC1)N(C)C ZINC001366072426 1147040224 /nfs/dbraw/zinc/04/02/24/1147040224.db2.gz XJZJLIUSJZLCPR-SJORKVTESA-N 1 3 309.498 2.247 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]C/C=C/Cl)N(C)C ZINC001317191656 1147175442 /nfs/dbraw/zinc/17/54/42/1147175442.db2.gz JGXVYVPTFWEKFH-QPJKDDTCSA-N 1 3 301.862 2.050 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1c(C)cccc1C)N(C)C ZINC001366354724 1147231019 /nfs/dbraw/zinc/23/10/19/1147231019.db2.gz RQEZNJTXJDNASW-RDJZCZTQSA-N 1 3 305.466 2.238 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](C)Cc1ccc(C)cc1 ZINC001366595634 1147380759 /nfs/dbraw/zinc/38/07/59/1147380759.db2.gz LDTUMPAUWDPNAY-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](C)Cc1ccc(C)cc1 ZINC001366595634 1147380762 /nfs/dbraw/zinc/38/07/62/1147380762.db2.gz LDTUMPAUWDPNAY-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)c1cccc(C)c1)N(C)C ZINC001366775268 1147553769 /nfs/dbraw/zinc/55/37/69/1147553769.db2.gz IWDDCFLQVTVFEO-RDJZCZTQSA-N 1 3 305.466 2.444 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([C@H](C)[NH2+]CC2CCC2)CC1 ZINC001366791842 1147562656 /nfs/dbraw/zinc/56/26/56/1147562656.db2.gz PGUBEYXELJPHDP-HNNXBMFYSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1cccc(C[NH2+]C[C@H](C)CNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001367270028 1147672204 /nfs/dbraw/zinc/67/22/04/1147672204.db2.gz HNZPJFPMGAEYLH-SJORKVTESA-N 1 3 317.477 2.179 20 0 DEADHO C[C@H](c1ccccc1)N(C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001367534253 1147710960 /nfs/dbraw/zinc/71/09/60/1147710960.db2.gz MNYSSMYNFFEUOS-MRXNPFEDSA-N 1 3 317.477 2.480 20 0 DEADHO Cc1cc(C)cc(CN(C)CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001367549828 1147714336 /nfs/dbraw/zinc/71/43/36/1147714336.db2.gz GSQBMBCQLJMFBP-GOSISDBHSA-N 1 3 317.477 2.145 20 0 DEADHO Cc1cc(C)cc(CN(C)CCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001367549828 1147714337 /nfs/dbraw/zinc/71/43/37/1147714337.db2.gz GSQBMBCQLJMFBP-GOSISDBHSA-N 1 3 317.477 2.145 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[NH2+]Cc1cc(F)ccc1C ZINC001317652384 1147739184 /nfs/dbraw/zinc/73/91/84/1147739184.db2.gz KYNUYEDYCCLZCH-UHFFFAOYSA-N 1 3 309.429 2.024 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001367766248 1147739825 /nfs/dbraw/zinc/73/98/25/1147739825.db2.gz OOXYFBKUVBMFKU-WMLDXEAASA-N 1 3 323.456 2.315 20 0 DEADHO CC(C)=CC[N@@H+](C)C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001317840057 1147757043 /nfs/dbraw/zinc/75/70/43/1147757043.db2.gz NSCABPBQZORMGK-MRXNPFEDSA-N 1 3 307.482 2.217 20 0 DEADHO CC(C)=CC[N@H+](C)C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001317840057 1147757045 /nfs/dbraw/zinc/75/70/45/1147757045.db2.gz NSCABPBQZORMGK-MRXNPFEDSA-N 1 3 307.482 2.217 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC1C[NH+](CCCCCF)C1 ZINC001318175560 1147789655 /nfs/dbraw/zinc/78/96/55/1147789655.db2.gz BCXXGSNWHRYLJQ-MRXNPFEDSA-N 1 3 313.461 2.049 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CC1)N(C)C ZINC001368038720 1147838564 /nfs/dbraw/zinc/83/85/64/1147838564.db2.gz WQDUPCQCLGNIOQ-INIZCTEOSA-N 1 3 321.509 2.391 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@](C)(C[NH2+]CCC(F)(F)F)C1 ZINC001324834345 1147851463 /nfs/dbraw/zinc/85/14/63/1147851463.db2.gz RNMRCOWHHRYJQU-AWEZNQCLSA-N 1 3 323.403 2.107 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC=C(C)C)C2 ZINC001325349084 1147894763 /nfs/dbraw/zinc/89/47/63/1147894763.db2.gz BJUCXYAPVCIYKI-BBWFWOEESA-N 1 3 307.482 2.264 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC=C(C)C)C2 ZINC001325349084 1147894764 /nfs/dbraw/zinc/89/47/64/1147894764.db2.gz BJUCXYAPVCIYKI-BBWFWOEESA-N 1 3 307.482 2.264 20 0 DEADHO [NH3+]CCCCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC001325354574 1147895117 /nfs/dbraw/zinc/89/51/17/1147895117.db2.gz MFZSQBSIURZEHI-KRWDZBQOSA-N 1 3 318.465 2.252 20 0 DEADHO CCC[C@](C)([NH3+])C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC001326664619 1148190987 /nfs/dbraw/zinc/19/09/87/1148190987.db2.gz SPFFAEDTDQBLDB-SFHVURJKSA-N 1 3 318.465 2.285 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CC2CCCC2)C1)N(C)C ZINC001368189624 1148315774 /nfs/dbraw/zinc/31/57/74/1148315774.db2.gz MOYZSERMYJCOCO-AEFFLSMTSA-N 1 3 309.498 2.345 20 0 DEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C1CC[NH+](C)CC1 ZINC000360086717 282096322 /nfs/dbraw/zinc/09/63/22/282096322.db2.gz ZOIXHGNXUPRBER-UHFFFAOYSA-N 1 3 321.440 2.058 20 0 DEADHO OC1(CN2C[C@H]3C[NH2+]C[C@H]3C2)CCC(c2ccccc2)CC1 ZINC000625098193 365642988 /nfs/dbraw/zinc/64/29/88/365642988.db2.gz NVHCQUYPZRVDIB-FXSDRFNOSA-N 1 3 300.446 2.227 20 0 DEADHO CC[C@@H](C)N[C@@H](CNC(=O)N1CCC(C[NH3+])CC1)c1ccco1 ZINC000418169497 529375510 /nfs/dbraw/zinc/37/55/10/529375510.db2.gz QALKNTIBLRHERI-HIFRSBDPSA-N 1 3 322.453 2.089 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000417353571 529447922 /nfs/dbraw/zinc/44/79/22/529447922.db2.gz JLBKQGHOAQOVRT-DLBZAZTESA-N 1 3 318.465 2.168 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000417831641 529450776 /nfs/dbraw/zinc/45/07/76/529450776.db2.gz IAYSBWZYPWIUJO-PVAVHDDUSA-N 1 3 318.465 2.076 20 0 DEADHO CC[C@@H]([NH3+])CNC(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000418249923 529560451 /nfs/dbraw/zinc/56/04/51/529560451.db2.gz URCNHJWQPDGLGI-MRXNPFEDSA-N 1 3 318.465 2.078 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000417447964 529609094 /nfs/dbraw/zinc/60/90/94/529609094.db2.gz SGCPYSBTHAHXLS-YOEHRIQHSA-N 1 3 320.481 2.278 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000417447964 529609095 /nfs/dbraw/zinc/60/90/95/529609095.db2.gz SGCPYSBTHAHXLS-YOEHRIQHSA-N 1 3 320.481 2.278 20 0 DEADHO CN1CCC[C@@H]1CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455918291 282226476 /nfs/dbraw/zinc/22/64/76/282226476.db2.gz LAMLVXVOMWCKEZ-NVXWUHKLSA-N 1 3 316.449 2.451 20 0 DEADHO CC(C)N1CCC[C@@H](N2CCC(CCC[NH+](C)C)CC2)C1=O ZINC000179700030 282232139 /nfs/dbraw/zinc/23/21/39/282232139.db2.gz PCRKZVGFLHTSSC-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H](NCCOCC[NH2+][C@H](C)c1cccnc1)c1cccnc1 ZINC000181649765 199333164 /nfs/dbraw/zinc/33/31/64/199333164.db2.gz WQLKROMPIYEGBO-HZPDHXFCSA-N 1 3 314.433 2.495 20 0 DEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NCC[N@H+](C)C1CCCC1 ZINC000448009972 529914690 /nfs/dbraw/zinc/91/46/90/529914690.db2.gz LOZRUGHXGGDAEA-MRXNPFEDSA-N 1 3 324.513 2.280 20 0 DEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000448009972 529914692 /nfs/dbraw/zinc/91/46/92/529914692.db2.gz LOZRUGHXGGDAEA-MRXNPFEDSA-N 1 3 324.513 2.280 20 0 DEADHO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000418178907 529989819 /nfs/dbraw/zinc/98/98/19/529989819.db2.gz JGFWCIAEVSJBKF-XIRDDKMYSA-N 1 3 318.465 2.071 20 0 DEADHO CC[N@H+](C)C[C@H]1CCN(Cc2ccc(OCCN(C)C)cc2)C1 ZINC000093770028 539432049 /nfs/dbraw/zinc/43/20/49/539432049.db2.gz QPEDMGUAXDCDBF-GOSISDBHSA-N 1 3 319.493 2.401 20 0 DEADHO CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(OCCN(C)C)cc2)C1 ZINC000093770028 539432052 /nfs/dbraw/zinc/43/20/52/539432052.db2.gz QPEDMGUAXDCDBF-GOSISDBHSA-N 1 3 319.493 2.401 20 0 DEADHO C[C@H](NC(=O)N1C[C@H](C[NH3+])C[C@H]1C)[C@@H](c1ccccc1)N(C)C ZINC000418184176 299138664 /nfs/dbraw/zinc/13/86/64/299138664.db2.gz PNQWOHKFXZQJKC-AESZEHBQSA-N 1 3 318.465 2.057 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000167790499 539611746 /nfs/dbraw/zinc/61/17/46/539611746.db2.gz KZHHQXXISDJBQX-QGTPRVQTSA-N 1 3 315.461 2.456 20 0 DEADHO NC1(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCCC1 ZINC000178693813 539637055 /nfs/dbraw/zinc/63/70/55/539637055.db2.gz IBAZVGLXOCSHHB-UHFFFAOYSA-N 1 3 301.434 2.170 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C)C[NH+](C)C)c1ccccc1 ZINC000287017511 219272007 /nfs/dbraw/zinc/27/20/07/219272007.db2.gz HDMITCIWJCDPEP-DOTOQJQBSA-N 1 3 320.481 2.319 20 0 DEADHO C[C@H]([NH2+]CC1(CO)CCC1)c1ccc(OCCN(C)C)cc1 ZINC000184530044 539668372 /nfs/dbraw/zinc/66/83/72/539668372.db2.gz HMXWSTORPCUTBD-HNNXBMFYSA-N 1 3 306.450 2.440 20 0 DEADHO O=C(NC[C@H]1CCCC[NH2+]1)c1cccc(CN2CCCC2)c1 ZINC000237985448 539752096 /nfs/dbraw/zinc/75/20/96/539752096.db2.gz QVALJLJTVXJLKQ-QGZVFWFLSA-N 1 3 301.434 2.154 20 0 DEADHO C[C@@H](O)C[C@H]1CCC[N@H+]1[C@@H](C)CCN1CCC[C@H]1C[C@H](C)O ZINC000246748861 539766221 /nfs/dbraw/zinc/76/62/21/539766221.db2.gz PZSBUVMVELBCQC-IECFSIQFSA-N 1 3 312.498 2.236 20 0 DEADHO C[C@@H](O)C[C@H]1CCC[N@@H+]1[C@@H](C)CCN1CCC[C@H]1C[C@H](C)O ZINC000246748861 539766224 /nfs/dbraw/zinc/76/62/24/539766224.db2.gz PZSBUVMVELBCQC-IECFSIQFSA-N 1 3 312.498 2.236 20 0 DEADHO C[C@@H](O)C[C@H]1CCCN1[C@@H](C)CC[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000246748861 539766228 /nfs/dbraw/zinc/76/62/28/539766228.db2.gz PZSBUVMVELBCQC-IECFSIQFSA-N 1 3 312.498 2.236 20 0 DEADHO C[C@@H](O)C[C@H]1CCCN1[C@@H](C)CC[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000246748861 539766232 /nfs/dbraw/zinc/76/62/32/539766232.db2.gz PZSBUVMVELBCQC-IECFSIQFSA-N 1 3 312.498 2.236 20 0 DEADHO CC[NH+](CC)CCNC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000287208986 219382067 /nfs/dbraw/zinc/38/20/67/219382067.db2.gz GUJDWKUHOQUJGQ-UHFFFAOYSA-N 1 3 324.469 2.085 20 0 DEADHO CC[N@H+](CC[C@@H]1CCNC1=O)Cc1ccc(CN(C)C)cc1 ZINC000626063900 366033660 /nfs/dbraw/zinc/03/36/60/366033660.db2.gz UTTWFBNZRJYHBC-KRWDZBQOSA-N 1 3 303.450 2.096 20 0 DEADHO CC[N@@H+](CC[C@@H]1CCNC1=O)Cc1ccc(CN(C)C)cc1 ZINC000626063900 366033663 /nfs/dbraw/zinc/03/36/63/366033663.db2.gz UTTWFBNZRJYHBC-KRWDZBQOSA-N 1 3 303.450 2.096 20 0 DEADHO CN(C)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000617352331 363104307 /nfs/dbraw/zinc/10/43/07/363104307.db2.gz XKEAGXGYNMFXPC-MRXNPFEDSA-N 1 3 303.450 2.351 20 0 DEADHO CN(C)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000617352331 363104315 /nfs/dbraw/zinc/10/43/15/363104315.db2.gz XKEAGXGYNMFXPC-MRXNPFEDSA-N 1 3 303.450 2.351 20 0 DEADHO Cc1cccc([C@@H](C)[NH+]2CCC(C(=O)NCCN(C)C)CC2)c1 ZINC000072597179 191198801 /nfs/dbraw/zinc/19/88/01/191198801.db2.gz MVDQKONZGYXGIG-MRXNPFEDSA-N 1 3 317.477 2.446 20 0 DEADHO CC(C)COC[C@H](O)CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309731097 539878533 /nfs/dbraw/zinc/87/85/33/539878533.db2.gz PBEZWTDYQOMWIW-RBUKOAKNSA-N 1 3 320.477 2.132 20 0 DEADHO CC(C)COC[C@H](O)CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309731097 539878536 /nfs/dbraw/zinc/87/85/36/539878536.db2.gz PBEZWTDYQOMWIW-RBUKOAKNSA-N 1 3 320.477 2.132 20 0 DEADHO CC(C)N(C)CCC[NH2+][C@H](C)c1cccc(-n2cnnn2)c1 ZINC000319098948 539892806 /nfs/dbraw/zinc/89/28/06/539892806.db2.gz KDJPUELWSSVXQO-CQSZACIVSA-N 1 3 302.426 2.043 20 0 DEADHO C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H](N)c1ccccc1 ZINC000322615568 539902362 /nfs/dbraw/zinc/90/23/62/539902362.db2.gz PXPMPZJNJGSOFB-NYFQHYJGSA-N 1 3 301.434 2.064 20 0 DEADHO C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](N)c1ccccc1 ZINC000322615568 539902369 /nfs/dbraw/zinc/90/23/69/539902369.db2.gz PXPMPZJNJGSOFB-NYFQHYJGSA-N 1 3 301.434 2.064 20 0 DEADHO CCN(C(=O)c1cccc(CN(C)C)c1)[C@H]1CC[N@H+](CC)C1 ZINC000617928104 363313927 /nfs/dbraw/zinc/31/39/27/363313927.db2.gz JLPCMPHZDBJDEH-KRWDZBQOSA-N 1 3 303.450 2.305 20 0 DEADHO CCN(C(=O)c1cccc(CN(C)C)c1)[C@H]1CC[N@@H+](CC)C1 ZINC000617928104 363313932 /nfs/dbraw/zinc/31/39/32/363313932.db2.gz JLPCMPHZDBJDEH-KRWDZBQOSA-N 1 3 303.450 2.305 20 0 DEADHO C[NH+](C)C1(CNC(=O)NCCN2CCCCC2)CCCCC1 ZINC000043109547 354213184 /nfs/dbraw/zinc/21/31/84/354213184.db2.gz ZITHDWWXRKZINF-UHFFFAOYSA-N 1 3 310.486 2.036 20 0 DEADHO C[C@@H](CNC(=O)NC1CCN(C2CC2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000048395068 354351347 /nfs/dbraw/zinc/35/13/47/354351347.db2.gz ZQWLTFSPZSTINO-CABCVRRESA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H](CNC(=O)NC1CCN(C2CC2)CC1)[N@H+]1CCCC[C@H]1C ZINC000048395068 354351348 /nfs/dbraw/zinc/35/13/48/354351348.db2.gz ZQWLTFSPZSTINO-CABCVRRESA-N 1 3 322.497 2.175 20 0 DEADHO C[C@H](CC[NH+](C)C)NC[C@@H](O)COCc1ccccc1Cl ZINC000049557526 354361522 /nfs/dbraw/zinc/36/15/22/354361522.db2.gz UIEOBMYEPFAVDN-UKRRQHHQSA-N 1 3 314.857 2.147 20 0 DEADHO CCC[N@H+](C)CC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000341550136 283057094 /nfs/dbraw/zinc/05/70/94/283057094.db2.gz FRWOXPSDQDEABO-MRXNPFEDSA-N 1 3 323.506 2.469 20 0 DEADHO CCC[N@@H+](C)CC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000341550136 283057095 /nfs/dbraw/zinc/05/70/95/283057095.db2.gz FRWOXPSDQDEABO-MRXNPFEDSA-N 1 3 323.506 2.469 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000341550136 283057097 /nfs/dbraw/zinc/05/70/97/283057097.db2.gz FRWOXPSDQDEABO-MRXNPFEDSA-N 1 3 323.506 2.469 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C2CCN(C)CC2)C1 ZINC000072963268 354933169 /nfs/dbraw/zinc/93/31/69/354933169.db2.gz WHOABZIFBJBTLB-HZPDHXFCSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)N1CCC([N@H+](C)C[C@H](O)COc2ccccc2F)CC1 ZINC000073895159 354990682 /nfs/dbraw/zinc/99/06/82/354990682.db2.gz YWXSAFVENSYAAB-INIZCTEOSA-N 1 3 324.440 2.370 20 0 DEADHO CC(C)N1CCC([N@@H+](C)C[C@H](O)COc2ccccc2F)CC1 ZINC000073895159 354990690 /nfs/dbraw/zinc/99/06/90/354990690.db2.gz YWXSAFVENSYAAB-INIZCTEOSA-N 1 3 324.440 2.370 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@@H]1C ZINC000074125484 355007886 /nfs/dbraw/zinc/00/78/86/355007886.db2.gz VTXSCRWVQQUPMU-GVDBMIGSSA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@@H]1C ZINC000074125484 355007888 /nfs/dbraw/zinc/00/78/88/355007888.db2.gz VTXSCRWVQQUPMU-GVDBMIGSSA-N 1 3 324.513 2.233 20 0 DEADHO CCC[C@H]([NH3+])C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000382695448 540124066 /nfs/dbraw/zinc/12/40/66/540124066.db2.gz JMJDYUUSUPVFCN-RDJZCZTQSA-N 1 3 303.450 2.237 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000078462950 355262845 /nfs/dbraw/zinc/26/28/45/355262845.db2.gz ZILXSBFCKDNPGL-INIZCTEOSA-N 1 3 324.513 2.425 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCCN1CCCCC1 ZINC000078989013 355289956 /nfs/dbraw/zinc/28/99/56/355289956.db2.gz XUGJOAIIQTTWHX-QGZVFWFLSA-N 1 3 324.513 2.426 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCCN1CCCCC1 ZINC000078989013 355289959 /nfs/dbraw/zinc/28/99/59/355289959.db2.gz XUGJOAIIQTTWHX-QGZVFWFLSA-N 1 3 324.513 2.426 20 0 DEADHO CCC[C@@H]1[C@H](C)CCCN1CC(=O)NC1CC[NH+](CC)CC1 ZINC000089131478 355521032 /nfs/dbraw/zinc/52/10/32/355521032.db2.gz UOJRWGVLWRMEIY-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)N(C)C ZINC000093065130 355666905 /nfs/dbraw/zinc/66/69/05/355666905.db2.gz LICLCBMVSMCBJI-QGZVFWFLSA-N 1 3 318.465 2.000 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+](CCO)CC2CC2)CC1 ZINC000092506142 355636922 /nfs/dbraw/zinc/63/69/22/355636922.db2.gz SMGJSJBLXUYLLQ-UHFFFAOYSA-N 1 3 317.477 2.033 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+](CCO)CC2CC2)CC1 ZINC000092506142 355636924 /nfs/dbraw/zinc/63/69/24/355636924.db2.gz SMGJSJBLXUYLLQ-UHFFFAOYSA-N 1 3 317.477 2.033 20 0 DEADHO CC(C)N1CCC[C@@H](C[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000125845050 355813408 /nfs/dbraw/zinc/81/34/08/355813408.db2.gz CTSXDJAMZCYNMI-AWEZNQCLSA-N 1 3 303.441 2.426 20 0 DEADHO CC[C@@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000130307155 355840831 /nfs/dbraw/zinc/84/08/31/355840831.db2.gz KJDBZQZGWFCVFH-RHSMWYFYSA-N 1 3 303.450 2.415 20 0 DEADHO CC[C@@H](N)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000130307155 355840833 /nfs/dbraw/zinc/84/08/33/355840833.db2.gz KJDBZQZGWFCVFH-RHSMWYFYSA-N 1 3 303.450 2.415 20 0 DEADHO CCN1CCN(CCC[NH2+]Cc2scnc2C2CC2)CC1 ZINC000486960810 540211587 /nfs/dbraw/zinc/21/15/87/540211587.db2.gz VEJIYTOIGBYNEU-UHFFFAOYSA-N 1 3 308.495 2.138 20 0 DEADHO CCN(C(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC)C(C)C ZINC000182533731 356130660 /nfs/dbraw/zinc/13/06/60/356130660.db2.gz QTBLDTOSDZIHDG-INIZCTEOSA-N 1 3 312.502 2.185 20 0 DEADHO CCN(C(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC)C(C)C ZINC000182533731 356130662 /nfs/dbraw/zinc/13/06/62/356130662.db2.gz QTBLDTOSDZIHDG-INIZCTEOSA-N 1 3 312.502 2.185 20 0 DEADHO CC(C)CCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195274076 356252935 /nfs/dbraw/zinc/25/29/35/356252935.db2.gz ZVONJDRIRBBCBF-UHFFFAOYSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)[C@H](C)[NH3+] ZINC000399540300 283153306 /nfs/dbraw/zinc/15/33/06/283153306.db2.gz WLMAFXVSKMJJSU-ONIAQPFYSA-N 1 3 317.477 2.385 20 0 DEADHO CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000374890637 535320910 /nfs/dbraw/zinc/32/09/10/535320910.db2.gz GIGLQUXSDAOPKV-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO CC[NH+](CC)Cc1cccc(NC(=O)CNC[C@@H]2CCCO2)c1 ZINC000236928169 202075208 /nfs/dbraw/zinc/07/52/08/202075208.db2.gz ZYCRHSRSRZGZRL-KRWDZBQOSA-N 1 3 319.449 2.236 20 0 DEADHO C[NH+](C)CCn1ccc2ccc(NC(=O)C3(N)CCCC3)cc21 ZINC000236999769 202116661 /nfs/dbraw/zinc/11/66/61/202116661.db2.gz AQPCPCZYVDFBQK-UHFFFAOYSA-N 1 3 314.433 2.413 20 0 DEADHO CN(C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000237039292 202133065 /nfs/dbraw/zinc/13/30/65/202133065.db2.gz QKNPJBCZGYFFOJ-JLSDUUJJSA-N 1 3 315.461 2.285 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000384329347 356682646 /nfs/dbraw/zinc/68/26/46/356682646.db2.gz YMNYWEZBCVDHOG-MAUKXSAKSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCCN(C)Cc1ccccc1 ZINC000384496721 356684019 /nfs/dbraw/zinc/68/40/19/356684019.db2.gz VYUWSAPBTZHVRL-WBVHZDCISA-N 1 3 303.450 2.013 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000390006055 356707930 /nfs/dbraw/zinc/70/79/30/356707930.db2.gz WSFORHRVOSGSFR-NJAFHUGGSA-N 1 3 315.461 2.155 20 0 DEADHO Cc1ccc([C@H](CNC(=O)CC2CC[NH2+]CC2)N(C)C)cc1 ZINC000237133901 202162153 /nfs/dbraw/zinc/16/21/53/202162153.db2.gz XOSOTWXBLCQCRI-KRWDZBQOSA-N 1 3 303.450 2.104 20 0 DEADHO CN[C@@H](C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000578081728 356759850 /nfs/dbraw/zinc/75/98/50/356759850.db2.gz BHJDHJPCVCCPJY-CABCVRRESA-N 1 3 303.450 2.285 20 0 DEADHO CN[C@@H](C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000578081728 356759853 /nfs/dbraw/zinc/75/98/53/356759853.db2.gz BHJDHJPCVCCPJY-CABCVRRESA-N 1 3 303.450 2.285 20 0 DEADHO c1ccc(NCCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000578348225 356802186 /nfs/dbraw/zinc/80/21/86/356802186.db2.gz ZFOBCSIQFQBINN-VQIMIIECSA-N 1 3 324.428 2.339 20 0 DEADHO CNCC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000237242139 202201192 /nfs/dbraw/zinc/20/11/92/202201192.db2.gz ACTXLLMKAOTDOG-HUUCEWRRSA-N 1 3 303.450 2.000 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000578984913 356902383 /nfs/dbraw/zinc/90/23/83/356902383.db2.gz NCZKJNDLYWNTSG-MJBXVCDLSA-N 1 3 324.494 2.310 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NC(C)(C)CF)CC2)CC1 ZINC000581081080 357127971 /nfs/dbraw/zinc/12/79/71/357127971.db2.gz CLLJSAYDWWZZCQ-UHFFFAOYSA-N 1 3 313.461 2.047 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418548737 283245750 /nfs/dbraw/zinc/24/57/50/283245750.db2.gz LATCYUZRZPLXOR-MRXNPFEDSA-N 1 3 310.486 2.036 20 0 DEADHO Cc1ncc2c(n1)CC[C@H](N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000581878541 357260779 /nfs/dbraw/zinc/26/07/79/357260779.db2.gz NFGBWCMIKJLCTA-UOVPBQLFSA-N 1 3 300.450 2.153 20 0 DEADHO CCCN(CC[NH+]1CCCCCC1)C(=O)NC1CCN(C)CC1 ZINC000358479413 283253545 /nfs/dbraw/zinc/25/35/45/283253545.db2.gz MOKPRAVQKCIDBI-UHFFFAOYSA-N 1 3 324.513 2.378 20 0 DEADHO C[NH2+]CC1CCN([C@H](C)C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000430948035 283257013 /nfs/dbraw/zinc/25/70/13/283257013.db2.gz DFBAUCXHCJTWIA-CYBMUJFWSA-N 1 3 323.868 2.276 20 0 DEADHO O=C(Nc1ccc2c(c1F)CCNC2)C1CC[NH+](C2CC2)CC1 ZINC000423657859 295945228 /nfs/dbraw/zinc/94/52/28/295945228.db2.gz WTVIUHSUTQVJHK-UHFFFAOYSA-N 1 3 317.408 2.284 20 0 DEADHO CCc1ncc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)cn1 ZINC000647249218 540281299 /nfs/dbraw/zinc/28/12/99/540281299.db2.gz KLFDNCVLQMPEMY-MSOLQXFVSA-N 1 3 310.445 2.474 20 0 DEADHO C[N@H+](CCNC(=O)NC[C@H]1CCN1C(C)(C)C)C1CCCC1 ZINC000660592311 540309008 /nfs/dbraw/zinc/30/90/08/540309008.db2.gz QLPYTBSNNMKYPE-OAHLLOKOSA-N 1 3 310.486 2.033 20 0 DEADHO C[N@@H+](CCNC(=O)NC[C@H]1CCN1C(C)(C)C)C1CCCC1 ZINC000660592311 540309010 /nfs/dbraw/zinc/30/90/10/540309010.db2.gz QLPYTBSNNMKYPE-OAHLLOKOSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000261826659 291122262 /nfs/dbraw/zinc/12/22/62/291122262.db2.gz NXFASFQBJJNWFX-GOEBONIOSA-N 1 3 301.434 2.092 20 0 DEADHO CCC[C@@H](C)C[N@@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663512925 540340079 /nfs/dbraw/zinc/34/00/79/540340079.db2.gz QLSBAOCPDOAWRR-HZPDHXFCSA-N 1 3 319.497 2.435 20 0 DEADHO CCC[C@@H](C)C[N@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663512925 540340083 /nfs/dbraw/zinc/34/00/83/540340083.db2.gz QLSBAOCPDOAWRR-HZPDHXFCSA-N 1 3 319.497 2.435 20 0 DEADHO C[C@H]([NH2+]C1CC1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000294763030 299269389 /nfs/dbraw/zinc/26/93/89/299269389.db2.gz LVARDVGBCKTAGT-WMLDXEAASA-N 1 3 301.434 2.080 20 0 DEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2CCCN2C2CC2)C1 ZINC000494283422 283316998 /nfs/dbraw/zinc/31/69/98/283316998.db2.gz WGSKKVALTBYWIK-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CCCN2C2CC2)C1 ZINC000494283422 283317000 /nfs/dbraw/zinc/31/70/00/283317000.db2.gz WGSKKVALTBYWIK-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO c1nc(-c2ccccn2)sc1CN[C@H]1CC12CC[NH2+]CC2 ZINC000666952296 540368836 /nfs/dbraw/zinc/36/88/36/540368836.db2.gz PGJVIOKVYXZCDK-AWEZNQCLSA-N 1 3 300.431 2.437 20 0 DEADHO c1csc(N2CCC([NH2+][C@H]3CCNC4(CCC4)C3)CC2)n1 ZINC000666995638 540377019 /nfs/dbraw/zinc/37/70/19/540377019.db2.gz UUHPRLIXFMKTBU-AWEZNQCLSA-N 1 3 306.479 2.376 20 0 DEADHO c1csc(N2CCC([NH2+][C@@H]3CCNC4(CCC4)C3)CC2)n1 ZINC000666995639 540377321 /nfs/dbraw/zinc/37/73/21/540377321.db2.gz UUHPRLIXFMKTBU-CQSZACIVSA-N 1 3 306.479 2.376 20 0 DEADHO C[C@@H](C[NH2+]C1CCN(c2ccccn2)CC1)CN1CCCC1 ZINC000237336244 202236910 /nfs/dbraw/zinc/23/69/10/202236910.db2.gz HZQFWUQYSFNSON-INIZCTEOSA-N 1 3 302.466 2.372 20 0 DEADHO CCN(CC[NH3+])C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000626985572 366391133 /nfs/dbraw/zinc/39/11/33/366391133.db2.gz XAEGSIPUOUXRCO-UKRRQHHQSA-N 1 3 324.494 2.121 20 0 DEADHO CC(C)COC(=O)N1CCC(NCC2([NH3+])CCCCC2)CC1 ZINC000496198942 283378891 /nfs/dbraw/zinc/37/88/91/283378891.db2.gz HYQOKSRSZROCJT-UHFFFAOYSA-N 1 3 311.470 2.495 20 0 DEADHO C[S@](=O)[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000597185592 358847861 /nfs/dbraw/zinc/84/78/61/358847861.db2.gz YOUYHFBYNHCZOT-YHEJKZAPSA-N 1 3 321.490 2.330 20 0 DEADHO CCN(CCC[NH+]1CCCC1)C(=O)Nc1cccc(CN)c1 ZINC000667735001 540517650 /nfs/dbraw/zinc/51/76/50/540517650.db2.gz DTTBXZRONKJSSK-UHFFFAOYSA-N 1 3 304.438 2.485 20 0 DEADHO CN(CCNC(=O)Nc1cccc(C[NH3+])c1)Cc1ccccc1 ZINC000667731469 540515818 /nfs/dbraw/zinc/51/58/18/540515818.db2.gz VFGPHHOYHSSYFQ-UHFFFAOYSA-N 1 3 312.417 2.399 20 0 DEADHO C[NH+](C)CCOc1ccc(CN[C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000667791087 540527238 /nfs/dbraw/zinc/52/72/38/540527238.db2.gz CRWAAXITKUOPQJ-FUHWJXTLSA-N 1 3 304.434 2.284 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000667791087 540527240 /nfs/dbraw/zinc/52/72/40/540527240.db2.gz CRWAAXITKUOPQJ-FUHWJXTLSA-N 1 3 304.434 2.284 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCC1(C)C ZINC000667811010 540532504 /nfs/dbraw/zinc/53/25/04/540532504.db2.gz ACGRZXRHHMGFBV-HOTGVXAUSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCC1(C)C ZINC000667811010 540532507 /nfs/dbraw/zinc/53/25/07/540532507.db2.gz ACGRZXRHHMGFBV-HOTGVXAUSA-N 1 3 309.498 2.297 20 0 DEADHO Cc1nccn1CCCN(C)Cc1ccnn1-c1ccncc1 ZINC000668167000 540605417 /nfs/dbraw/zinc/60/54/17/540605417.db2.gz PKCJFOOPUJXDIU-UHFFFAOYSA-N 1 3 310.405 2.294 20 0 DEADHO Cc1nccn1CCC[N@@H+](C)Cc1ccnn1-c1ccncc1 ZINC000668167000 540605420 /nfs/dbraw/zinc/60/54/20/540605420.db2.gz PKCJFOOPUJXDIU-UHFFFAOYSA-N 1 3 310.405 2.294 20 0 DEADHO Cc1nccn1CCC[N@H+](C)Cc1ccnn1-c1ccncc1 ZINC000668167000 540605424 /nfs/dbraw/zinc/60/54/24/540605424.db2.gz PKCJFOOPUJXDIU-UHFFFAOYSA-N 1 3 310.405 2.294 20 0 DEADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCCCCS(C)(=O)=O ZINC000423058994 296000409 /nfs/dbraw/zinc/00/04/09/296000409.db2.gz DRHARXDRGIYHQY-GJZGRUSLSA-N 1 3 304.500 2.102 20 0 DEADHO C[N@H+](CCC1CCN(C(=O)CN2CCCC2)CC1)CC1CC1 ZINC001422063679 1172268055 /nfs/dbraw/zinc/26/80/55/1172268055.db2.gz RTIABRVLJCLFAT-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO C[N@@H+](CCC1CCN(C(=O)CN2CCCC2)CC1)CC1CC1 ZINC001422063679 1172268066 /nfs/dbraw/zinc/26/80/66/1172268066.db2.gz RTIABRVLJCLFAT-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO Oc1ccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000668490411 540672817 /nfs/dbraw/zinc/67/28/17/540672817.db2.gz RENSMZVHIUCFCP-IBGZPJMESA-N 1 3 312.413 2.249 20 0 DEADHO Oc1ccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000668490411 540672821 /nfs/dbraw/zinc/67/28/21/540672821.db2.gz RENSMZVHIUCFCP-IBGZPJMESA-N 1 3 312.413 2.249 20 0 DEADHO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000237940694 202397977 /nfs/dbraw/zinc/39/79/77/202397977.db2.gz MFEGIAPUWNVLMF-KURKYZTESA-N 1 3 315.461 2.285 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000601213772 359967962 /nfs/dbraw/zinc/96/79/62/359967962.db2.gz KQFPKRBVDJCUOB-MRXNPFEDSA-N 1 3 324.513 2.423 20 0 DEADHO COC(=O)c1ccc(CNCCCC[N@@H+]2CCC[C@H](C)C2)n1C ZINC000602004077 360232528 /nfs/dbraw/zinc/23/25/28/360232528.db2.gz KSMQZQLIMCPVPF-HNNXBMFYSA-N 1 3 321.465 2.413 20 0 DEADHO COC(=O)c1ccc(CNCCCC[N@H+]2CCC[C@H](C)C2)n1C ZINC000602004077 360232532 /nfs/dbraw/zinc/23/25/32/360232532.db2.gz KSMQZQLIMCPVPF-HNNXBMFYSA-N 1 3 321.465 2.413 20 0 DEADHO C[C@@H]1C[N@H+](Cc2ccc(OCCN(C)C)cc2)C[C@@]1(C)CO ZINC000668738094 540721026 /nfs/dbraw/zinc/72/10/26/540721026.db2.gz FRBPKILLIGABOS-QAPCUYQASA-N 1 3 306.450 2.077 20 0 DEADHO C[C@@H]1C[N@@H+](Cc2ccc(OCCN(C)C)cc2)C[C@@]1(C)CO ZINC000668738094 540721031 /nfs/dbraw/zinc/72/10/31/540721031.db2.gz FRBPKILLIGABOS-QAPCUYQASA-N 1 3 306.450 2.077 20 0 DEADHO C[C@H](C[NH3+])N(C)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669484004 540841807 /nfs/dbraw/zinc/84/18/07/540841807.db2.gz YBIVRXNDUUUJNR-NVXWUHKLSA-N 1 3 318.465 2.202 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCC(F)(F)F)CC1 ZINC001368649696 1148549708 /nfs/dbraw/zinc/54/97/08/1148549708.db2.gz FVEVVTMSRRWGDI-LBPRGKRZSA-N 1 3 321.387 2.004 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CCC[N@H+](C)C1)c1ccco1 ZINC000672754244 541060367 /nfs/dbraw/zinc/06/03/67/541060367.db2.gz XIXYTKLTVPRUDD-SOUVJXGZSA-N 1 3 322.453 2.102 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccco1 ZINC000672754244 541060368 /nfs/dbraw/zinc/06/03/68/541060368.db2.gz XIXYTKLTVPRUDD-SOUVJXGZSA-N 1 3 322.453 2.102 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000672942683 541076894 /nfs/dbraw/zinc/07/68/94/541076894.db2.gz LHLCJEYUWBXUOE-BBWFWOEESA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H](CN(C)C)NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000673186827 541093985 /nfs/dbraw/zinc/09/39/85/541093985.db2.gz HFTQZLYUBLWQOP-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO CCCN1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000619896205 363891867 /nfs/dbraw/zinc/89/18/67/363891867.db2.gz QITLWWCRODZBJJ-GOSISDBHSA-N 1 3 315.461 2.497 20 0 DEADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N(CCN(C)C)C1CCCC1 ZINC000675194446 541300369 /nfs/dbraw/zinc/30/03/69/541300369.db2.gz RSDQBNFAUGDHIO-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@]3(C)CC3(C)C)CC2)CC1 ZINC000620076652 363949789 /nfs/dbraw/zinc/94/97/89/363949789.db2.gz VAUJPSRVFUCAIO-LJQANCHMSA-N 1 3 321.509 2.488 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CC12CCC2 ZINC000675318829 541319760 /nfs/dbraw/zinc/31/97/60/541319760.db2.gz BWOUJQQWAIWEMS-JKSUJKDBSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CC12CCC2 ZINC000675318829 541319762 /nfs/dbraw/zinc/31/97/62/541319762.db2.gz BWOUJQQWAIWEMS-JKSUJKDBSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CCN1 ZINC000621158618 364286417 /nfs/dbraw/zinc/28/64/17/364286417.db2.gz UBKAJYHWWILCPJ-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CCN1 ZINC000621158618 364286424 /nfs/dbraw/zinc/28/64/24/364286424.db2.gz UBKAJYHWWILCPJ-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H]([NH2+]CC12CC(C1)CO2)c1ccc(OCCN(C)C)cc1 ZINC000527977668 283770002 /nfs/dbraw/zinc/77/00/02/283770002.db2.gz AMQMEJAZGNZADR-SYJJWHGVSA-N 1 3 304.434 2.457 20 0 DEADHO Cc1ccc([C@H](CNC(=O)CC[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000621642228 364486466 /nfs/dbraw/zinc/48/64/66/364486466.db2.gz IIIKKPSOVPQEIY-AEFFLSMTSA-N 1 3 317.477 2.494 20 0 DEADHO CC[C@@H]1CN(C(=O)Nc2cccc(CN(C)C)c2)CC[C@H]1[NH3+] ZINC000623059080 364871017 /nfs/dbraw/zinc/87/10/17/364871017.db2.gz PZXVNEPMXVMJON-GDBMZVCRSA-N 1 3 304.438 2.339 20 0 DEADHO C[C@H]1CCN(C(=O)Nc2cccc(CN(C)C)c2)C[C@@H]1C[NH3+] ZINC000623069705 364874885 /nfs/dbraw/zinc/87/48/85/364874885.db2.gz MXDFLAHDWCTENS-ZFWWWQNUSA-N 1 3 304.438 2.197 20 0 DEADHO CN(C)CC[N@H+](C)CCCNCc1nc2ccc(F)cc2s1 ZINC000623087664 364878956 /nfs/dbraw/zinc/87/89/56/364878956.db2.gz BKVBXEBRJMHQRA-UHFFFAOYSA-N 1 3 324.469 2.409 20 0 DEADHO CN(C)CC[N@@H+](C)CCCNCc1nc2ccc(F)cc2s1 ZINC000623087664 364878961 /nfs/dbraw/zinc/87/89/61/364878961.db2.gz BKVBXEBRJMHQRA-UHFFFAOYSA-N 1 3 324.469 2.409 20 0 DEADHO CN(C)CC[N@H+](C)CCCNCc1ccc(F)cc1Cl ZINC000623087673 364879684 /nfs/dbraw/zinc/87/96/84/364879684.db2.gz CALGEQMBDNOLOG-UHFFFAOYSA-N 1 3 301.837 2.452 20 0 DEADHO CN(C)CC[N@@H+](C)CCCNCc1ccc(F)cc1Cl ZINC000623087673 364879687 /nfs/dbraw/zinc/87/96/87/364879687.db2.gz CALGEQMBDNOLOG-UHFFFAOYSA-N 1 3 301.837 2.452 20 0 DEADHO CN(C)CCN(C)CCC[NH2+]Cc1ccc2ncccc2c1 ZINC000623088537 364882321 /nfs/dbraw/zinc/88/23/21/364882321.db2.gz RBRMEAURKQJDBU-UHFFFAOYSA-N 1 3 300.450 2.208 20 0 DEADHO CCCN1CCC([NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000675883067 541391064 /nfs/dbraw/zinc/39/10/64/541391064.db2.gz WAZCWUFEXAAOOP-SFHVURJKSA-N 1 3 309.498 2.094 20 0 DEADHO O=C(Nc1ccc2c(c1)CNCC2)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449117340 240075162 /nfs/dbraw/zinc/07/51/62/240075162.db2.gz UASJPIFJRPXZFM-HXUWFJFHSA-N 1 3 321.424 2.202 20 0 DEADHO C[N@H+](CCCCNCc1cn(-c2ccc(F)cc2)nn1)C1CC1 ZINC000623544595 365070350 /nfs/dbraw/zinc/07/03/50/365070350.db2.gz AIMGVGQPTJRVMD-UHFFFAOYSA-N 1 3 317.412 2.370 20 0 DEADHO C[N@@H+](CCCCNCc1cn(-c2ccc(F)cc2)nn1)C1CC1 ZINC000623544595 365070352 /nfs/dbraw/zinc/07/03/52/365070352.db2.gz AIMGVGQPTJRVMD-UHFFFAOYSA-N 1 3 317.412 2.370 20 0 DEADHO C[C@H](CNC(=O)NC[C@H]1CCCC[N@H+](C)C1)N1CCC(C)CC1 ZINC000623720981 365146453 /nfs/dbraw/zinc/14/64/53/365146453.db2.gz CXCYJDNBGJHDEF-IAGOWNOFSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1)N1CCC(C)CC1 ZINC000623720981 365146456 /nfs/dbraw/zinc/14/64/56/365146456.db2.gz CXCYJDNBGJHDEF-IAGOWNOFSA-N 1 3 324.513 2.138 20 0 DEADHO Cc1nc([C@H](C)NCCCN2CCC[N@H+](C)CC2)c(C)s1 ZINC000676488279 541458582 /nfs/dbraw/zinc/45/85/82/541458582.db2.gz AGEFBOUUPRJDDI-ZDUSSCGKSA-N 1 3 310.511 2.438 20 0 DEADHO Cc1nc([C@H](C)NCCCN2CCC[N@@H+](C)CC2)c(C)s1 ZINC000676488279 541458584 /nfs/dbraw/zinc/45/85/84/541458584.db2.gz AGEFBOUUPRJDDI-ZDUSSCGKSA-N 1 3 310.511 2.438 20 0 DEADHO c1c(CN[C@H]2CCCC23CCCCC3)nnn1[C@H]1CC[NH2+]C1 ZINC000629551679 367246037 /nfs/dbraw/zinc/24/60/37/367246037.db2.gz WPVPFSJVELCMHY-HOTGVXAUSA-N 1 3 303.454 2.405 20 0 DEADHO O[C@@H](C[NH2+]CCSc1ccc(Cl)cc1)CN1CCCC1 ZINC000629554987 367248111 /nfs/dbraw/zinc/24/81/11/367248111.db2.gz LEQQURQMQBTDSU-AWEZNQCLSA-N 1 3 314.882 2.478 20 0 DEADHO Cc1ccc([C@@H]2OCCC[C@H]2[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000629564934 367254413 /nfs/dbraw/zinc/25/44/13/367254413.db2.gz LYLHCEOHISRLMF-QRVBRYPASA-N 1 3 318.461 2.261 20 0 DEADHO COc1ccc2c(c1)CCC[C@@H]2CNC[C@@H](O)C[NH+]1CCCC1 ZINC000629574107 367256535 /nfs/dbraw/zinc/25/65/35/367256535.db2.gz LQWYNIVJYHFQKH-IAGOWNOFSA-N 1 3 318.461 2.161 20 0 DEADHO C[C@]1(CNC[C@H](O)C[NH+]2CCCC2)CCCc2ccccc21 ZINC000629577699 367258202 /nfs/dbraw/zinc/25/82/02/367258202.db2.gz ZHDCAYQCMFDYOD-PKOBYXMFSA-N 1 3 302.462 2.327 20 0 DEADHO Cc1cccc(OCCCNC[C@@H](O)C[NH+]2CCCC2)c1C ZINC000629580182 367260979 /nfs/dbraw/zinc/26/09/79/367260979.db2.gz UIYJKUBDJPALEL-QGZVFWFLSA-N 1 3 306.450 2.119 20 0 DEADHO C[NH2+]C1(CNC(=O)c2oc3ccccc3c2CN(C)C)CCC1 ZINC000630000613 367431522 /nfs/dbraw/zinc/43/15/22/367431522.db2.gz OYDYWMLMXHBUSI-UHFFFAOYSA-N 1 3 315.417 2.366 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](C)CC[NH+](C)C ZINC000271762815 209192065 /nfs/dbraw/zinc/19/20/65/209192065.db2.gz BLEACSMUOLUVFB-JKSUJKDBSA-N 1 3 320.481 2.146 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H]1CN1CCN(CC(C)(C)O)C[C@H]1C ZINC000450810423 242247649 /nfs/dbraw/zinc/24/76/49/242247649.db2.gz MMAJEQWJZDUHRI-SJORKVTESA-N 1 3 311.514 2.026 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H]1CN1CCN(CC(C)(C)O)C[C@H]1C ZINC000450810423 242247660 /nfs/dbraw/zinc/24/76/60/242247660.db2.gz MMAJEQWJZDUHRI-SJORKVTESA-N 1 3 311.514 2.026 20 0 DEADHO O=c1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c[nH]1 ZINC000631171231 368059577 /nfs/dbraw/zinc/05/95/77/368059577.db2.gz JGBXVQACPFIRQJ-UHFFFAOYSA-N 1 3 312.417 2.184 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(C)Cc2ccccc2)CC[N@@H+]1C ZINC000631222816 368087886 /nfs/dbraw/zinc/08/78/86/368087886.db2.gz VBSNGGIHGMAGPJ-BPQIPLTHSA-N 1 3 317.477 2.353 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(C)Cc2ccccc2)CC[N@H+]1C ZINC000631222816 368087889 /nfs/dbraw/zinc/08/78/89/368087889.db2.gz VBSNGGIHGMAGPJ-BPQIPLTHSA-N 1 3 317.477 2.353 20 0 DEADHO CO[C@@]1(C)C[C@@H]([NH2+]CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000451495668 243026498 /nfs/dbraw/zinc/02/64/98/243026498.db2.gz TWRBSZYMZRFLAO-AEFFLSMTSA-N 1 3 311.514 2.196 20 0 DEADHO NCc1cn([C@H]2CC[N@H+](Cc3csc4ccccc34)C2)nn1 ZINC000631846395 368422035 /nfs/dbraw/zinc/42/20/35/368422035.db2.gz YKJRJTHBDSVFIX-AWEZNQCLSA-N 1 3 313.430 2.399 20 0 DEADHO NCc1cn([C@H]2CC[N@@H+](Cc3csc4ccccc34)C2)nn1 ZINC000631846395 368422039 /nfs/dbraw/zinc/42/20/39/368422039.db2.gz YKJRJTHBDSVFIX-AWEZNQCLSA-N 1 3 313.430 2.399 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+](CCO)CC(C)(C)C)cc1 ZINC000678241136 541697912 /nfs/dbraw/zinc/69/79/12/541697912.db2.gz ROHVSFPWQHAPNN-UHFFFAOYSA-N 1 3 308.466 2.467 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+](CCO)CC(C)(C)C)cc1 ZINC000678241136 541697913 /nfs/dbraw/zinc/69/79/13/541697913.db2.gz ROHVSFPWQHAPNN-UHFFFAOYSA-N 1 3 308.466 2.467 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000678284816 541707355 /nfs/dbraw/zinc/70/73/55/541707355.db2.gz IWQNCNHQZXLDRW-ROUUACIJSA-N 1 3 318.461 2.485 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000678284816 541707357 /nfs/dbraw/zinc/70/73/57/541707357.db2.gz IWQNCNHQZXLDRW-ROUUACIJSA-N 1 3 318.461 2.485 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])CN1Cc1ccccc1 ZINC000261724782 203104061 /nfs/dbraw/zinc/10/40/61/203104061.db2.gz KKNCJINSFDNNOR-DZJNRPSUSA-N 1 3 315.461 2.283 20 0 DEADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000261793401 203118441 /nfs/dbraw/zinc/11/84/41/203118441.db2.gz QJMKSXUUOXUUIJ-OKZBNKHCSA-N 1 3 315.461 2.285 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000262650684 203365729 /nfs/dbraw/zinc/36/57/29/203365729.db2.gz QTTMZIWJRHKUIY-BZZMCLGOSA-N 1 3 315.461 2.283 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1ccsc1 ZINC000262677048 203377665 /nfs/dbraw/zinc/37/76/65/203377665.db2.gz SYRSVEGZUFBQIN-VHDGCEQUSA-N 1 3 309.479 2.375 20 0 DEADHO CN1CCC[C@H](N2CCC(C[NH+]3CCCCCC3)CC2)C1=O ZINC000679310701 541836292 /nfs/dbraw/zinc/83/62/92/541836292.db2.gz BBKLQXJMPHJPSS-KRWDZBQOSA-N 1 3 307.482 2.195 20 0 DEADHO COc1ccc(F)cc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000271741528 209172549 /nfs/dbraw/zinc/17/25/49/209172549.db2.gz WNVNFMNLWDYXBV-UHFFFAOYSA-N 1 3 323.456 2.292 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCN2C2CCCC2)CC1 ZINC000530023025 284318827 /nfs/dbraw/zinc/31/88/27/284318827.db2.gz RFFAOSGOFLUTBG-QGZVFWFLSA-N 1 3 307.482 2.240 20 0 DEADHO COc1cc2nccc(N[C@H]3CC[NH2+]C34CCC4)c2cc1OC ZINC000530180136 284361587 /nfs/dbraw/zinc/36/15/87/284361587.db2.gz SGPOALSVMULQBO-KRWDZBQOSA-N 1 3 313.401 2.370 20 0 DEADHO C[C@@H](CNC(=O)NCC[C@H]1CCC[N@H+](C)C1)N1CCC(C)CC1 ZINC000458057812 248131778 /nfs/dbraw/zinc/13/17/78/248131778.db2.gz YQHQNMGYJYEHQC-DLBZAZTESA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H](CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1)N1CCC(C)CC1 ZINC000458057812 248131782 /nfs/dbraw/zinc/13/17/82/248131782.db2.gz YQHQNMGYJYEHQC-DLBZAZTESA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](CNC(=O)NC(C)(C)C[NH+](C)C)N(C)Cc1ccccc1 ZINC000458379897 248283864 /nfs/dbraw/zinc/28/38/64/248283864.db2.gz ODUQCXACZMARJZ-OAHLLOKOSA-N 1 3 320.481 2.146 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCCN1CCCOCC1 ZINC000361334668 284684140 /nfs/dbraw/zinc/68/41/40/284684140.db2.gz HCOKCOJQWKTRAS-ROUUACIJSA-N 1 3 311.514 2.199 20 0 DEADHO COc1ccc(CNCC2CC[NH+](C)CC2)c(OC)c1OC ZINC000065996760 184384541 /nfs/dbraw/zinc/38/45/41/184384541.db2.gz HCXGMDNNNBWHOD-UHFFFAOYSA-N 1 3 308.422 2.144 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)[C@H](N)C(C)C)Cc1ccccc1 ZINC000269232141 207356243 /nfs/dbraw/zinc/35/62/43/207356243.db2.gz IUVVBFLZYUVIBX-IAGOWNOFSA-N 1 3 305.466 2.039 20 0 DEADHO CC[NH+](CC)CCOc1ccccc1NC(=O)CNCC1CC1 ZINC000269233372 207360016 /nfs/dbraw/zinc/36/00/16/207360016.db2.gz KMNZUJOAFZLHNZ-UHFFFAOYSA-N 1 3 319.449 2.345 20 0 DEADHO CC(C)[C@@H](N)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000269246026 207380168 /nfs/dbraw/zinc/38/01/68/207380168.db2.gz DNZONAXYQPAGDD-MRXNPFEDSA-N 1 3 302.422 2.125 20 0 DEADHO C[NH+](C)CCc1ccc(NC(=O)[C@H](CN)c2ccccc2)cc1 ZINC000269252704 207392993 /nfs/dbraw/zinc/39/29/93/207392993.db2.gz QDLJZSUECVNWLG-GOSISDBHSA-N 1 3 311.429 2.472 20 0 DEADHO CCC[C@H](N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000269252097 207393064 /nfs/dbraw/zinc/39/30/64/207393064.db2.gz HKUAMLCHDOSQCX-PVAVHDDUSA-N 1 3 303.450 2.141 20 0 DEADHO CCC[C@H](N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000269252097 207393069 /nfs/dbraw/zinc/39/30/69/207393069.db2.gz HKUAMLCHDOSQCX-PVAVHDDUSA-N 1 3 303.450 2.141 20 0 DEADHO C[C@@H]1CCCC[C@@H]1OCCN1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420324244 296344163 /nfs/dbraw/zinc/34/41/63/296344163.db2.gz HFHFUFXTQGMGKN-IKGGRYGDSA-N 1 3 310.482 2.269 20 0 DEADHO CN(C)CCOc1ccc(NC(=O)CCCC[NH+](C)C)cc1 ZINC000556939890 291851830 /nfs/dbraw/zinc/85/18/30/291851830.db2.gz JUHIOHVIUJYXEB-UHFFFAOYSA-N 1 3 307.438 2.297 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000157278483 197175966 /nfs/dbraw/zinc/17/59/66/197175966.db2.gz SOSZQYJCJRFJPY-MSOLQXFVSA-N 1 3 315.461 2.305 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000157278483 197175967 /nfs/dbraw/zinc/17/59/67/197175967.db2.gz SOSZQYJCJRFJPY-MSOLQXFVSA-N 1 3 315.461 2.305 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000339463627 285194279 /nfs/dbraw/zinc/19/42/79/285194279.db2.gz DLZNAHCRQOAQEK-IAGOWNOFSA-N 1 3 307.482 2.051 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000156081877 197084993 /nfs/dbraw/zinc/08/49/93/197084993.db2.gz VFEBMOAWJGLTIS-UHFFFAOYSA-N 1 3 303.450 2.210 20 0 DEADHO COc1ccc([C@H](CN[C@H]2CCC[C@H]2C[NH3+])N(C)C)cc1OC ZINC000422987735 533183814 /nfs/dbraw/zinc/18/38/14/533183814.db2.gz IYGFWZFAEXGGFC-JYJNAYRXSA-N 1 3 321.465 2.024 20 0 DEADHO OC1CC[NH+](CCCN[C@@H]2CCCNc3ccccc32)CC1 ZINC000192722102 285245466 /nfs/dbraw/zinc/24/54/66/285245466.db2.gz NCDSHBXLFMJFTA-GOSISDBHSA-N 1 3 303.450 2.370 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CC[C@H](C)C1 ZINC000345622004 285248521 /nfs/dbraw/zinc/24/85/21/285248521.db2.gz OFMQQYANKOEBQG-YESZJQIVSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CC[C@H](C)C1 ZINC000345622004 285248524 /nfs/dbraw/zinc/24/85/24/285248524.db2.gz OFMQQYANKOEBQG-YESZJQIVSA-N 1 3 309.498 2.297 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000341029576 285258535 /nfs/dbraw/zinc/25/85/35/285258535.db2.gz YDLPFJPCQLVZEJ-JFIYKMOQSA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnc(C)s1 ZINC000349058917 285282671 /nfs/dbraw/zinc/28/26/71/285282671.db2.gz AFGZVJLGFFUVFL-HNNXBMFYSA-N 1 3 310.511 2.299 20 0 DEADHO CCOc1ccc(CNCCC[N@@H+]2CCCN(C)CC2)cc1F ZINC000683769739 542494174 /nfs/dbraw/zinc/49/41/74/542494174.db2.gz ZIJIHUCMXWVAQV-UHFFFAOYSA-N 1 3 323.456 2.342 20 0 DEADHO CCOc1ccc(CNCCC[N@H+]2CCCN(C)CC2)cc1F ZINC000683769739 542494177 /nfs/dbraw/zinc/49/41/77/542494177.db2.gz ZIJIHUCMXWVAQV-UHFFFAOYSA-N 1 3 323.456 2.342 20 0 DEADHO CCN1CCN(C[C@@H](C)C[NH2+]CCCc2cnccc2C)CC1 ZINC000289954741 221338543 /nfs/dbraw/zinc/33/85/43/221338543.db2.gz AZIPAKMJVUFMDZ-KRWDZBQOSA-N 1 3 318.509 2.186 20 0 DEADHO CCN1CCN(CCC[NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000683927235 542519635 /nfs/dbraw/zinc/51/96/35/542519635.db2.gz HDBKKZLPMZAQSD-UHFFFAOYSA-N 1 3 300.450 2.285 20 0 DEADHO C[C@H]([NH2+]C[C@H]1CNc2ccnn2C1)[C@H]1CCCN(C2CCC2)C1 ZINC000684201473 542570235 /nfs/dbraw/zinc/57/02/35/542570235.db2.gz OGROAZVAKNUJHM-JYJNAYRXSA-N 1 3 317.481 2.167 20 0 DEADHO C[C@@H](NCc1cccc(OCCN(C)C)c1)[C@@H]1CCCC[NH2+]1 ZINC000422896199 533457022 /nfs/dbraw/zinc/45/70/22/533457022.db2.gz HPJVQEZONTYEFE-QAPCUYQASA-N 1 3 305.466 2.247 20 0 DEADHO COc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2CN)c(OC)c1OC ZINC000422698853 533499190 /nfs/dbraw/zinc/49/91/90/533499190.db2.gz BKFYGUABHLUHAB-LSDHHAIUSA-N 1 3 322.449 2.362 20 0 DEADHO COc1cccc(N2CC[C@H]([NH2+][C@H](C)[C@H]3CCCCN3)C2)c1 ZINC000422701483 533588633 /nfs/dbraw/zinc/58/86/33/533588633.db2.gz BZSDGDTUXJFEPO-RVKKMQEKSA-N 1 3 303.450 2.394 20 0 DEADHO C[C@H](NC(=O)N1C[C@H](C[NH3+])C[C@H]1C)[C@H](c1ccccc1)N(C)C ZINC000418184182 533618037 /nfs/dbraw/zinc/61/80/37/533618037.db2.gz PNQWOHKFXZQJKC-WBTNSWJXSA-N 1 3 318.465 2.057 20 0 DEADHO CCN1CCN(CCCC[NH2+][C@H]2CCCc3cccnc32)CC1 ZINC000684953566 542690774 /nfs/dbraw/zinc/69/07/74/542690774.db2.gz JCSGZBPKXKBHQO-SFHVURJKSA-N 1 3 316.493 2.466 20 0 DEADHO Cc1ncsc1CN(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457559 542727064 /nfs/dbraw/zinc/72/70/64/542727064.db2.gz DXGKZAMFQGWSRE-OAHLLOKOSA-N 1 3 308.495 2.052 20 0 DEADHO Cc1ccc(CN(CC[NH+](C)C)C(=O)CN2[C@H](C)CC[C@H]2C)o1 ZINC000355406576 133024572 /nfs/dbraw/zinc/02/45/72/133024572.db2.gz DTFYZWCIMGVICC-HUUCEWRRSA-N 1 3 321.465 2.351 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C)N(C)C ZINC000357867854 133106297 /nfs/dbraw/zinc/10/62/97/133106297.db2.gz KXTUHTSRTRMZCV-USXIJHARSA-N 1 3 305.466 2.443 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000357917193 133109529 /nfs/dbraw/zinc/10/95/29/133109529.db2.gz KWQBHSUNKDKPFK-LSDHHAIUSA-N 1 3 310.486 2.056 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000357917193 133109530 /nfs/dbraw/zinc/10/95/30/133109530.db2.gz KWQBHSUNKDKPFK-LSDHHAIUSA-N 1 3 310.486 2.056 20 0 DEADHO CC(C)[NH+](CCN(C)C(=O)N[C@@H](C)C1=CCN(C)CC1)C(C)C ZINC000358075734 133119276 /nfs/dbraw/zinc/11/92/76/133119276.db2.gz JONJHVDRXPYLTC-INIZCTEOSA-N 1 3 324.513 2.397 20 0 DEADHO C[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1=CCN(C)CC1 ZINC000358087387 133119907 /nfs/dbraw/zinc/11/99/07/133119907.db2.gz DMPWLMQTBHQXFP-ZBFHGGJFSA-N 1 3 324.513 2.302 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000358245428 133131157 /nfs/dbraw/zinc/13/11/57/133131157.db2.gz GGWCHSUJWSYHJD-INIZCTEOSA-N 1 3 324.513 2.282 20 0 DEADHO COc1cc(OC)cc(OCCN[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000358264501 133132270 /nfs/dbraw/zinc/13/22/70/133132270.db2.gz IZFFADVHBYZBSR-CXAGYDPISA-N 1 3 308.422 2.012 20 0 DEADHO COc1cc(OC)cc(OCCN[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000358264501 133132271 /nfs/dbraw/zinc/13/22/71/133132271.db2.gz IZFFADVHBYZBSR-CXAGYDPISA-N 1 3 308.422 2.012 20 0 DEADHO CN1CCC[C@H]2C[N@H+](CCc3ccc4c(c3)OCCO4)CC[C@H]21 ZINC000360028219 133158017 /nfs/dbraw/zinc/15/80/17/133158017.db2.gz RXNASTPDMWACIP-DLBZAZTESA-N 1 3 316.445 2.416 20 0 DEADHO CN1CCC[C@H]2C[N@@H+](CCc3ccc4c(c3)OCCO4)CC[C@H]21 ZINC000360028219 133158018 /nfs/dbraw/zinc/15/80/18/133158018.db2.gz RXNASTPDMWACIP-DLBZAZTESA-N 1 3 316.445 2.416 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H]2CCN(C3CC3)C2)[C@@H](C)C1 ZINC000360036551 133159113 /nfs/dbraw/zinc/15/91/13/133159113.db2.gz GRYBMHXPPACMBD-LNLFQRSKSA-N 1 3 323.525 2.197 20 0 DEADHO Cc1ccc(NC(=[NH2+])NC[C@@H]2CN3CCC[C@H]3CO2)cc1C ZINC000360570929 133190792 /nfs/dbraw/zinc/19/07/92/133190792.db2.gz AYFKKTQHPPZEOO-JKSUJKDBSA-N 1 3 302.422 2.103 20 0 DEADHO CS[C@@H]1CN(CCCCn2ccnc2C)C[C@H]1[NH+]1CCCC1 ZINC000362031009 133206217 /nfs/dbraw/zinc/20/62/17/133206217.db2.gz YLGOCKKAKHWJAJ-IAGOWNOFSA-N 1 3 322.522 2.483 20 0 DEADHO Cc1ccc(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)c(OCCN(C)C)c1 ZINC000362819664 133252872 /nfs/dbraw/zinc/25/28/72/133252872.db2.gz GDUXRKIHSLOPOG-LSDHHAIUSA-N 1 3 319.449 2.072 20 0 DEADHO Cc1ccc(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)c(OCCN(C)C)c1 ZINC000362819664 133252873 /nfs/dbraw/zinc/25/28/73/133252873.db2.gz GDUXRKIHSLOPOG-LSDHHAIUSA-N 1 3 319.449 2.072 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CCCCC[NH2+]1)N(C)Cc1ccccc1 ZINC000376334703 133290995 /nfs/dbraw/zinc/29/09/95/133290995.db2.gz QMNVHXJNGHJORJ-NVXWUHKLSA-N 1 3 303.450 2.155 20 0 DEADHO Cc1cccc(CN2CCCC[C@@H]2C(=O)N2CC[C@@H](C[NH3+])C2)c1 ZINC000377125361 133319169 /nfs/dbraw/zinc/31/91/69/133319169.db2.gz FHUAPDMDXSVLNQ-ZWKOTPCHSA-N 1 3 315.461 2.157 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000377666275 133339814 /nfs/dbraw/zinc/33/98/14/133339814.db2.gz BJOWLXCTWHQTBQ-KRWDZBQOSA-N 1 3 313.461 2.188 20 0 DEADHO CC[NH+](CC)[C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000377757833 133345454 /nfs/dbraw/zinc/34/54/54/133345454.db2.gz GBZAZKNHOVILMB-CZUORRHYSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC2CC3(CCC3)C2)[C@@H](C)C1 ZINC001368660449 1148558209 /nfs/dbraw/zinc/55/82/09/1148558209.db2.gz RLUULGVLGFNBFF-RDJZCZTQSA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@@H](N)C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000563090356 292030739 /nfs/dbraw/zinc/03/07/39/292030739.db2.gz NKTKGMDQEJPUOA-USXIJHARSA-N 1 3 303.450 2.141 20 0 DEADHO CC[C@@H](N)C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000563090356 292030740 /nfs/dbraw/zinc/03/07/40/292030740.db2.gz NKTKGMDQEJPUOA-USXIJHARSA-N 1 3 303.450 2.141 20 0 DEADHO O=C(C[C@@H]1CCC[NH2+]C1)N1CCN(CC2CCCCC2)CC1 ZINC000563414804 292055466 /nfs/dbraw/zinc/05/54/66/292055466.db2.gz AZETYXAHSPVBAA-KRWDZBQOSA-N 1 3 307.482 2.101 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@H]2CCCCCN2)C1 ZINC000563959881 292081919 /nfs/dbraw/zinc/08/19/19/292081919.db2.gz OCGMNOJNSPUQSI-VVLHAWIVSA-N 1 3 307.482 2.382 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@H]2CCCCCN2)C1 ZINC000563959881 292081920 /nfs/dbraw/zinc/08/19/20/292081920.db2.gz OCGMNOJNSPUQSI-VVLHAWIVSA-N 1 3 307.482 2.382 20 0 DEADHO CC(C)[NH2+]CCCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000564941363 292122550 /nfs/dbraw/zinc/12/25/50/292122550.db2.gz OVSGYFIHQQUBFG-UHFFFAOYSA-N 1 3 303.450 2.400 20 0 DEADHO COCCC[NH+]1CCC(N[C@H](C)CC(=O)OC(C)(C)C)CC1 ZINC000183775396 144935024 /nfs/dbraw/zinc/93/50/24/144935024.db2.gz QDOWYTNXUGBIDL-CQSZACIVSA-N 1 3 314.470 2.197 20 0 DEADHO CN(C)CCN(Cc1ccccc1)C(=O)CCC1CC[NH2+]CC1 ZINC000261539750 145206504 /nfs/dbraw/zinc/20/65/04/145206504.db2.gz DBWKMJWZESCASB-UHFFFAOYSA-N 1 3 317.477 2.357 20 0 DEADHO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCC(CC[NH2+]C)CC1 ZINC000262008705 145253011 /nfs/dbraw/zinc/25/30/11/145253011.db2.gz SJFFEQGJEJZIJK-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO C[NH2+]CCC1CCN([C@@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000262022176 145253457 /nfs/dbraw/zinc/25/34/57/145253457.db2.gz YGYXGPHTCJPNFF-QGZVFWFLSA-N 1 3 303.450 2.137 20 0 DEADHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000262072010 145259469 /nfs/dbraw/zinc/25/94/69/145259469.db2.gz COMSTJUOIWZMGI-UWWQBHOKSA-N 1 3 304.434 2.414 20 0 DEADHO C[C@@]1(C[NH3+])CCN(C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000262152427 145266258 /nfs/dbraw/zinc/26/62/58/145266258.db2.gz XLGUXZHPZLQKLB-IBGZPJMESA-N 1 3 315.461 2.096 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)[C@@H](C)[C@H](N)c2ccccc2)CC1 ZINC000262380978 145280331 /nfs/dbraw/zinc/28/03/31/145280331.db2.gz YSBQRKPCSLLKBQ-YOEHRIQHSA-N 1 3 303.450 2.312 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000262477170 145286958 /nfs/dbraw/zinc/28/69/58/145286958.db2.gz JRCFVXJFMHHFPY-WMLDXEAASA-N 1 3 303.450 2.041 20 0 DEADHO C[C@H](NCc1ccncc1OCCC[NH+](C)C)[C@@H]1CCCOC1 ZINC000344011543 145785906 /nfs/dbraw/zinc/78/59/06/145785906.db2.gz DSSNPDRRRJQAST-DOTOQJQBSA-N 1 3 321.465 2.317 20 0 DEADHO COC(=O)[C@@H](C)Oc1ccc(CN2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000347094327 146193252 /nfs/dbraw/zinc/19/32/52/146193252.db2.gz HHNNJFILHLPITH-UONOGXRCSA-N 1 3 320.433 2.186 20 0 DEADHO C[C@H](N[C@@H]1C=C[C@@H](CO)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348108339 146217833 /nfs/dbraw/zinc/21/78/33/146217833.db2.gz BXTGGMMUGMMZCZ-JCHJZTRSSA-N 1 3 300.446 2.424 20 0 DEADHO C[C@H](N[C@@H]1C=C[C@@H](CO)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348108339 146217835 /nfs/dbraw/zinc/21/78/35/146217835.db2.gz BXTGGMMUGMMZCZ-JCHJZTRSSA-N 1 3 300.446 2.424 20 0 DEADHO C[C@H](C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)[C@@H](N)c1ccccc1 ZINC000349003510 146338790 /nfs/dbraw/zinc/33/87/90/146338790.db2.gz QTPSLJQERSOISZ-XLWVJDPXSA-N 1 3 324.428 2.172 20 0 DEADHO CC(C)CN(C(=O)CN1CCC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000565314990 292154842 /nfs/dbraw/zinc/15/48/42/292154842.db2.gz KLDVNNHFHDEACU-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CCc1nn(C)c(CC)c1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357068996 147034311 /nfs/dbraw/zinc/03/43/11/147034311.db2.gz DYNWVCWRQFHWFR-OAHLLOKOSA-N 1 3 304.482 2.366 20 0 DEADHO CCCN1CCC[C@@H]1CNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000358319654 147113013 /nfs/dbraw/zinc/11/30/13/147113013.db2.gz YUQDSAFLJQHOJP-QGZVFWFLSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCOc1cccc(C(F)(F)F)n1 ZINC000358381954 147123194 /nfs/dbraw/zinc/12/31/94/147123194.db2.gz ZMELZLLTJJHLMX-NEPJUHHUSA-N 1 3 317.355 2.409 20 0 DEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCOc1cccc(C(F)(F)F)n1 ZINC000358381954 147123196 /nfs/dbraw/zinc/12/31/96/147123196.db2.gz ZMELZLLTJJHLMX-NEPJUHHUSA-N 1 3 317.355 2.409 20 0 DEADHO C[C@H](CNC(=O)[C@@H](CN)c1ccc(F)cc1)[NH+]1CCC(C)CC1 ZINC000358867385 147221870 /nfs/dbraw/zinc/22/18/70/147221870.db2.gz UAEVQOOPZUWKTM-PBHICJAKSA-N 1 3 321.440 2.105 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000358918520 147230514 /nfs/dbraw/zinc/23/05/14/147230514.db2.gz WNFJORRSJRKREW-HZPDHXFCSA-N 1 3 303.450 2.237 20 0 DEADHO C[NH+](C)C1(CNC(=O)N[C@@H]2CCN(C3CC3)C2)CCCCCC1 ZINC000359226690 147286239 /nfs/dbraw/zinc/28/62/39/147286239.db2.gz KQJWBQVYYTWYAT-OAHLLOKOSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@H](Cc1ccccc1C(F)(F)F)NC[C@H](O)C[NH+](C)C ZINC000360841014 147393604 /nfs/dbraw/zinc/39/36/04/147393604.db2.gz PXESMHNGUOQFEV-YPMHNXCESA-N 1 3 304.356 2.149 20 0 DEADHO C[C@@H](CNC(=O)Cc1ccc2c(c1)CCCO2)C[NH+]1CCCC1 ZINC000565661569 292175510 /nfs/dbraw/zinc/17/55/10/292175510.db2.gz VOWFNNNSTSCKTN-HNNXBMFYSA-N 1 3 316.445 2.402 20 0 DEADHO COc1ccc2c(ncnc2N2CC[C@@]3(C2)CCC[NH2+]C3)c1F ZINC000565648371 292175071 /nfs/dbraw/zinc/17/50/71/292175071.db2.gz OJOCGWNHOXYZCN-KRWDZBQOSA-N 1 3 316.380 2.357 20 0 DEADHO Cc1c[nH+]ccc1N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000370562766 148031361 /nfs/dbraw/zinc/03/13/61/148031361.db2.gz ZCSGIQPQHOHCAS-UHFFFAOYSA-N 1 3 302.466 2.385 20 0 DEADHO OC[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1CCOC1 ZINC000370665871 148040995 /nfs/dbraw/zinc/04/09/95/148040995.db2.gz QZMVRNMTBPMNDF-HZPDHXFCSA-N 1 3 310.482 2.018 20 0 DEADHO OC[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCOC1 ZINC000370665871 148040997 /nfs/dbraw/zinc/04/09/97/148040997.db2.gz QZMVRNMTBPMNDF-HZPDHXFCSA-N 1 3 310.482 2.018 20 0 DEADHO COc1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000370697289 148045668 /nfs/dbraw/zinc/04/56/68/148045668.db2.gz KCSIBRPASHAKIR-VQIMIIECSA-N 1 3 317.477 2.153 20 0 DEADHO COc1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000370697289 148045671 /nfs/dbraw/zinc/04/56/71/148045671.db2.gz KCSIBRPASHAKIR-VQIMIIECSA-N 1 3 317.477 2.153 20 0 DEADHO COc1ccccc1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000370698005 148045860 /nfs/dbraw/zinc/04/58/60/148045860.db2.gz MLIOIDHOFKUJNO-FUHWJXTLSA-N 1 3 317.477 2.153 20 0 DEADHO COc1ccccc1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000370698005 148045863 /nfs/dbraw/zinc/04/58/63/148045863.db2.gz MLIOIDHOFKUJNO-FUHWJXTLSA-N 1 3 317.477 2.153 20 0 DEADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCC(=O)Nc1ccccn1 ZINC000565827847 292184873 /nfs/dbraw/zinc/18/48/73/292184873.db2.gz KUBZBLDQDWADLY-HUUCEWRRSA-N 1 3 304.438 2.311 20 0 DEADHO CC1CC[NH+](C[C@H](O)CNCC2Cc3ccccc3C2)CC1 ZINC000565865106 292187327 /nfs/dbraw/zinc/18/73/27/292187327.db2.gz HHJZFPLFKMQTRQ-LJQANCHMSA-N 1 3 302.462 2.084 20 0 DEADHO CC[C@H](C)CN(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000111491640 401717187 /nfs/dbraw/zinc/71/71/87/401717187.db2.gz HYRIIABHZZDPBX-HNNXBMFYSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(F)cc1 ZINC000128158398 401765425 /nfs/dbraw/zinc/76/54/25/401765425.db2.gz SJQCTQDYCMMVEX-ZFWWWQNUSA-N 1 3 307.413 2.064 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000079293468 401872063 /nfs/dbraw/zinc/87/20/63/401872063.db2.gz ZABJYZSDNHOZKE-DLBZAZTESA-N 1 3 322.497 2.131 20 0 DEADHO C[C@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1CCOC1 ZINC000132636147 401870420 /nfs/dbraw/zinc/87/04/20/401870420.db2.gz YIWDNWSOCVUETD-MAUKXSAKSA-N 1 3 318.461 2.158 20 0 DEADHO CN(CCC(=O)Nc1ccccc1F)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841820 401911704 /nfs/dbraw/zinc/91/17/04/401911704.db2.gz GTTGCXVOXFKNQA-CQSZACIVSA-N 1 3 307.413 2.428 20 0 DEADHO CN(CCC(=O)Nc1ccccc1F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841820 401911706 /nfs/dbraw/zinc/91/17/06/401911706.db2.gz GTTGCXVOXFKNQA-CQSZACIVSA-N 1 3 307.413 2.428 20 0 DEADHO C[C@@H](NC(=O)N[C@@H](C)CN1CCCCC1)C(C)(C)C[NH+](C)C ZINC000085362877 401914444 /nfs/dbraw/zinc/91/44/44/401914444.db2.gz STYQYDNECWXTKE-LSDHHAIUSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@H](CNC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000085393712 401915823 /nfs/dbraw/zinc/91/58/23/401915823.db2.gz HXWVACKMOFTFKH-IKGGRYGDSA-N 1 3 324.513 2.090 20 0 DEADHO CCN1CCN(Cc2ccc(C[NH2+]Cc3cc[nH]c3)cc2)CC1 ZINC000086251125 401922103 /nfs/dbraw/zinc/92/21/03/401922103.db2.gz ZJDDDNFCSBMFSP-UHFFFAOYSA-N 1 3 312.461 2.442 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC000137482240 401983899 /nfs/dbraw/zinc/98/38/99/401983899.db2.gz MNKNUHYNNUCZKL-QAPCUYQASA-N 1 3 315.461 2.107 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CC=CCC3)CC2)CC1 ZINC000050800515 402029873 /nfs/dbraw/zinc/02/98/73/402029873.db2.gz ULIOCPOLKYFOOE-OAHLLOKOSA-N 1 3 305.466 2.018 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(F)cc3)CC2)CC1 ZINC000050802019 402029946 /nfs/dbraw/zinc/02/99/46/402029946.db2.gz NZUKPCDTTBQKJS-UHFFFAOYSA-N 1 3 319.424 2.114 20 0 DEADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cnn(C(C)C)c2)CC1 ZINC000121363728 402030924 /nfs/dbraw/zinc/03/09/24/402030924.db2.gz USQNESQOLMYAHS-SJORKVTESA-N 1 3 321.513 2.388 20 0 DEADHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)CNC3CC3)cc2)C1 ZINC000566180713 292215213 /nfs/dbraw/zinc/21/52/13/292215213.db2.gz CPAOIWLFZGXQTO-CQSZACIVSA-N 1 3 317.433 2.098 20 0 DEADHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)CNC3CC3)cc2)C1 ZINC000566180713 292215217 /nfs/dbraw/zinc/21/52/17/292215217.db2.gz CPAOIWLFZGXQTO-CQSZACIVSA-N 1 3 317.433 2.098 20 0 DEADHO CC[NH+](CC)Cc1ccc(C(=O)NCCN(C)C2CC2)cc1 ZINC000066924141 402146703 /nfs/dbraw/zinc/14/67/03/402146703.db2.gz RSCNUHUWAICSHU-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000566286974 292225436 /nfs/dbraw/zinc/22/54/36/292225436.db2.gz VALLORJYCARTMD-NJAFHUGGSA-N 1 3 315.461 2.470 20 0 DEADHO C[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@@H](C)N1 ZINC000154026989 402188132 /nfs/dbraw/zinc/18/81/32/402188132.db2.gz KOIWUQMSYFWRDK-HUUCEWRRSA-N 1 3 301.434 2.105 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](Cc1ccccc1)[NH+](CC)CC)N(C)C ZINC000124765488 402196232 /nfs/dbraw/zinc/19/62/32/402196232.db2.gz HEUFJOSCLNLGKY-ROUUACIJSA-N 1 3 319.493 2.396 20 0 DEADHO Cc1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)nc1 ZINC000154195884 402198108 /nfs/dbraw/zinc/19/81/08/402198108.db2.gz PWLLGKMQYGONIO-UHFFFAOYSA-N 1 3 303.450 2.467 20 0 DEADHO CCN(CCNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC000101991240 402160858 /nfs/dbraw/zinc/16/08/58/402160858.db2.gz PSFGJIGLEYMWPJ-HNNXBMFYSA-N 1 3 324.513 2.280 20 0 DEADHO CCN(CCNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)C1CC1 ZINC000101991240 402160861 /nfs/dbraw/zinc/16/08/61/402160861.db2.gz PSFGJIGLEYMWPJ-HNNXBMFYSA-N 1 3 324.513 2.280 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)NCCN(CC)C2CC2)CC1 ZINC000102017497 402161359 /nfs/dbraw/zinc/16/13/59/402161359.db2.gz OUFPIKYAFPFIAL-UHFFFAOYSA-N 1 3 310.486 2.034 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)[C@H](C2CC2)N2CCCC2)CC1 ZINC000124083762 402163212 /nfs/dbraw/zinc/16/32/12/402163212.db2.gz SRNKTYTZOPRGKD-KRWDZBQOSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000105127582 402206601 /nfs/dbraw/zinc/20/66/01/402206601.db2.gz FSYYSGYQTBMWSA-SJORKVTESA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000105127582 402206604 /nfs/dbraw/zinc/20/66/04/402206604.db2.gz FSYYSGYQTBMWSA-SJORKVTESA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000105129367 402206897 /nfs/dbraw/zinc/20/68/97/402206897.db2.gz JKEZYYXVRZPWOY-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000105129367 402206900 /nfs/dbraw/zinc/20/69/00/402206900.db2.gz JKEZYYXVRZPWOY-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO Cc1nc2c(s1)[C@@H]([NH2+]CCCCN1CCN(C)CC1)CCC2 ZINC000154413713 402211448 /nfs/dbraw/zinc/21/14/48/402211448.db2.gz JZZIOBZTNGBSPK-HNNXBMFYSA-N 1 3 322.522 2.446 20 0 DEADHO C[C@H](CNC(=O)NCCN1CCC[C@@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000195640082 402274429 /nfs/dbraw/zinc/27/44/29/402274429.db2.gz KHKGHVKJHAKQEQ-BRWVUGGUSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](CNC(=O)NCCN1CCC[C@@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000195640082 402274430 /nfs/dbraw/zinc/27/44/30/402274430.db2.gz KHKGHVKJHAKQEQ-BRWVUGGUSA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)N(CC[NH+](C)C)C(=O)NCCN(C)Cc1ccccc1 ZINC000157958497 402300465 /nfs/dbraw/zinc/30/04/65/402300465.db2.gz SEEHNHWDWTUMJX-UHFFFAOYSA-N 1 3 320.481 2.100 20 0 DEADHO CC[NH+]1CCC(NC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000223374829 402310849 /nfs/dbraw/zinc/31/08/49/402310849.db2.gz MLKXYMJRFWTENW-OAHLLOKOSA-N 1 3 311.470 2.460 20 0 DEADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000185620212 402365222 /nfs/dbraw/zinc/36/52/22/402365222.db2.gz LLDKGVCYKYBEJW-ARFHVFGLSA-N 1 3 322.497 2.175 20 0 DEADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H]3CCCCN3)C2)CC1 ZINC000236629002 402369267 /nfs/dbraw/zinc/36/92/67/402369267.db2.gz YOKPWVXVQLRDFM-IAGOWNOFSA-N 1 3 307.482 2.099 20 0 DEADHO CC1CCC(N2CCN(C(=O)[C@@H]3CCC[C@@H]([NH3+])C3)CC2)CC1 ZINC000236788353 402382048 /nfs/dbraw/zinc/38/20/48/402382048.db2.gz PMDRYWPMGWIIBH-JCCCHCCOSA-N 1 3 307.482 2.227 20 0 DEADHO CN(C)CCN(C(=O)NCCC[NH+]1CCCCC1)C1CCCC1 ZINC000177465895 402405582 /nfs/dbraw/zinc/40/55/82/402405582.db2.gz XVQYHCAPIUSKBX-UHFFFAOYSA-N 1 3 324.513 2.378 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000237624753 402415850 /nfs/dbraw/zinc/41/58/50/402415850.db2.gz NLDZOCFRWNSNPM-SJORKVTESA-N 1 3 301.434 2.000 20 0 DEADHO [NH3+]C[C@H]1CCCCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000237962764 402428490 /nfs/dbraw/zinc/42/84/90/402428490.db2.gz PHTXBWGANWVPNV-QGZVFWFLSA-N 1 3 301.434 2.236 20 0 DEADHO N[C@H](CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)c1ccccc1 ZINC000237961628 402428572 /nfs/dbraw/zinc/42/85/72/402428572.db2.gz SLSARTYQGISROY-GOSISDBHSA-N 1 3 323.440 2.124 20 0 DEADHO Cc1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c1 ZINC000162815359 402433127 /nfs/dbraw/zinc/43/31/27/402433127.db2.gz XRRMFRXGHKSLEX-ZHALLVOQSA-N 1 3 318.461 2.151 20 0 DEADHO Cc1cccc(OC[C@H](O)C[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c1 ZINC000162815359 402433128 /nfs/dbraw/zinc/43/31/28/402433128.db2.gz XRRMFRXGHKSLEX-ZHALLVOQSA-N 1 3 318.461 2.151 20 0 DEADHO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCCCN1 ZINC000238054853 402435200 /nfs/dbraw/zinc/43/52/00/402435200.db2.gz AJJYQAIURPBSMZ-SFHVURJKSA-N 1 3 315.461 2.431 20 0 DEADHO C[C@@H]1CCC[C@@H]1CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000185924240 402389792 /nfs/dbraw/zinc/38/97/92/402389792.db2.gz GTKDBYSTQSAJNR-HZPDHXFCSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)[C@H]1CCCN(C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000161621647 402393493 /nfs/dbraw/zinc/39/34/93/402393493.db2.gz APBNQUOIDYKWHS-KRWDZBQOSA-N 1 3 324.513 2.378 20 0 DEADHO C[N@H+](CCCNC(=O)[C@@H](CN)c1ccccc1)C1CCCCC1 ZINC000237068685 402393840 /nfs/dbraw/zinc/39/38/40/402393840.db2.gz JENVMMDKWSRFDN-SFHVURJKSA-N 1 3 317.477 2.500 20 0 DEADHO C[N@@H+](CCCNC(=O)[C@@H](CN)c1ccccc1)C1CCCCC1 ZINC000237068685 402393843 /nfs/dbraw/zinc/39/38/43/402393843.db2.gz JENVMMDKWSRFDN-SFHVURJKSA-N 1 3 317.477 2.500 20 0 DEADHO CCO[C@@H]1C[C@@](N)(C(=O)Nc2cccc(CN(C)C)c2)C1(C)C ZINC000186711211 402458548 /nfs/dbraw/zinc/45/85/48/402458548.db2.gz SOMTYCAMWGWOSL-CRAIPNDOSA-N 1 3 319.449 2.219 20 0 DEADHO CCO[C@@H]1C[C@@](N)(C(=O)Nc2cccc(C[NH+](C)C)c2)C1(C)C ZINC000186711211 402458550 /nfs/dbraw/zinc/45/85/50/402458550.db2.gz SOMTYCAMWGWOSL-CRAIPNDOSA-N 1 3 319.449 2.219 20 0 DEADHO CCC[C@@H](N)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000165915290 402479785 /nfs/dbraw/zinc/47/97/85/402479785.db2.gz CLSRNVXJJPRFSW-CYBMUJFWSA-N 1 3 313.829 2.346 20 0 DEADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)C1CC[NH2+]CC1 ZINC000165894899 402479806 /nfs/dbraw/zinc/47/98/06/402479806.db2.gz DXOUWJSLZXGAFD-SFHVURJKSA-N 1 3 315.461 2.157 20 0 DEADHO CN(C)C(=O)CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245785974 402487588 /nfs/dbraw/zinc/48/75/88/402487588.db2.gz ZMTQEYNLDFEUEX-BCDXTJNWSA-N 1 3 315.461 2.250 20 0 DEADHO CN(C)C(=O)CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245785974 402487590 /nfs/dbraw/zinc/48/75/90/402487590.db2.gz ZMTQEYNLDFEUEX-BCDXTJNWSA-N 1 3 315.461 2.250 20 0 DEADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ncccc3F)C2)[C@H](C)C1 ZINC000168147688 402494727 /nfs/dbraw/zinc/49/47/27/402494727.db2.gz YLZQNLUQZPJIQS-FMKPAKJESA-N 1 3 306.429 2.119 20 0 DEADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(c3ncccc3F)C2)[C@H](C)C1 ZINC000168147688 402494729 /nfs/dbraw/zinc/49/47/29/402494729.db2.gz YLZQNLUQZPJIQS-FMKPAKJESA-N 1 3 306.429 2.119 20 0 DEADHO CN1CCC[C@@H]1CC[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000178442880 402499716 /nfs/dbraw/zinc/49/97/16/402499716.db2.gz HDAPNWBOZVWYAV-QGZVFWFLSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)N1CCC(C)CC1 ZINC000247203042 402560184 /nfs/dbraw/zinc/56/01/84/402560184.db2.gz XIPVCZJSKNPOMS-IXDOHACOSA-N 1 3 324.513 2.279 20 0 DEADHO COc1cccc([C@@H](C)N2CCN(CC3CC[NH2+]CC3)CC2)c1 ZINC000178980328 402561140 /nfs/dbraw/zinc/56/11/40/402561140.db2.gz BEQLSZGZUMRIME-MRXNPFEDSA-N 1 3 317.477 2.373 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)C1 ZINC000247455368 402567423 /nfs/dbraw/zinc/56/74/23/402567423.db2.gz PPEGXEXWUXMXMJ-BRWVUGGUSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)[NH2+]C1CCN(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000247468995 402568037 /nfs/dbraw/zinc/56/80/37/402568037.db2.gz GOFJSPVVPLBDQX-HOTGVXAUSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H](CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)N(C)C1CC1 ZINC000246533589 402535532 /nfs/dbraw/zinc/53/55/32/402535532.db2.gz WSAIRCBCUYWJIA-CABCVRRESA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H](CNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)N(C)C1CC1 ZINC000246533589 402535534 /nfs/dbraw/zinc/53/55/34/402535534.db2.gz WSAIRCBCUYWJIA-CABCVRRESA-N 1 3 324.513 2.279 20 0 DEADHO CC[N@@H+]1CC[C@H](NC[C@@H](CC(C)C)N2CCOCC2)[C@@H](C)C1 ZINC000247946387 402578814 /nfs/dbraw/zinc/57/88/14/402578814.db2.gz HOZLYWJWLQVQJE-KSZLIROESA-N 1 3 311.514 2.053 20 0 DEADHO CC[N@H+]1CC[C@H](NC[C@@H](CC(C)C)N2CCOCC2)[C@@H](C)C1 ZINC000247946387 402578817 /nfs/dbraw/zinc/57/88/17/402578817.db2.gz HOZLYWJWLQVQJE-KSZLIROESA-N 1 3 311.514 2.053 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]Cc2cn3ccccc3n2)C[C@@H](C)O1 ZINC000171381506 402582525 /nfs/dbraw/zinc/58/25/25/402582525.db2.gz UZBCFYHCYVKOQG-HZPDHXFCSA-N 1 3 316.449 2.313 20 0 DEADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000190207458 402584610 /nfs/dbraw/zinc/58/46/10/402584610.db2.gz XHHOIIVXTUPGGQ-CVEARBPZSA-N 1 3 322.497 2.129 20 0 DEADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000190207510 402584930 /nfs/dbraw/zinc/58/49/30/402584930.db2.gz PCSXQPFZBPOIAB-HZPDHXFCSA-N 1 3 324.513 2.375 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@H]2CCCN2C)C1 ZINC000249890943 402643146 /nfs/dbraw/zinc/64/31/46/402643146.db2.gz SVVHUMOWWAKMEJ-BRWVUGGUSA-N 1 3 324.513 2.138 20 0 DEADHO Cc1c([C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cnn1C(C)C ZINC000191161495 402646960 /nfs/dbraw/zinc/64/69/60/402646960.db2.gz TZXBRYSSBRMPRW-OAHLLOKOSA-N 1 3 321.513 2.449 20 0 DEADHO C[C@@H](CCNC(=O)N1CC[C@H](N2CCCC2)C1)[NH+]1CCCCC1 ZINC000182665145 402706532 /nfs/dbraw/zinc/70/65/32/402706532.db2.gz GXZDGMXVXVHIBK-IRXDYDNUSA-N 1 3 322.497 2.131 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H](C)[C@@H](C)[NH3+])c1cccc(OC)c1 ZINC000192090565 402710711 /nfs/dbraw/zinc/71/07/11/402710711.db2.gz SXQMFESFWLJEGI-JJRVBVJISA-N 1 3 321.465 2.178 20 0 DEADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CCCN(C2CCCC2)CC1 ZINC000263225104 402748178 /nfs/dbraw/zinc/74/81/78/402748178.db2.gz MQFLSAULCGJRBK-WMZOPIPTSA-N 1 3 307.482 2.371 20 0 DEADHO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000263296166 402755246 /nfs/dbraw/zinc/75/52/46/402755246.db2.gz YADNVTTZOPABNW-QLFBSQMISA-N 1 3 321.490 2.204 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000174841194 402759822 /nfs/dbraw/zinc/75/98/22/402759822.db2.gz DKQOYJUZTJPERU-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000174841194 402759824 /nfs/dbraw/zinc/75/98/24/402759824.db2.gz DKQOYJUZTJPERU-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262373464 402724845 /nfs/dbraw/zinc/72/48/45/402724845.db2.gz MAQPVPZTPVGMMS-MUQADHOPSA-N 1 3 307.482 2.003 20 0 DEADHO C[C@@H](NC(=O)c1ccc(CN(C)C)cc1)C(C)(C)C[NH+](C)C ZINC000175795252 402833659 /nfs/dbraw/zinc/83/36/59/402833659.db2.gz INHRQBXZSKOBNX-CQSZACIVSA-N 1 3 305.466 2.454 20 0 DEADHO CCC[N@H+](CC)CCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000175162196 402784636 /nfs/dbraw/zinc/78/46/36/402784636.db2.gz BQDDEMQXEDQHCZ-QGZVFWFLSA-N 1 3 320.481 2.320 20 0 DEADHO CCC[N@@H+](CC)CCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000175162196 402784639 /nfs/dbraw/zinc/78/46/39/402784639.db2.gz BQDDEMQXEDQHCZ-QGZVFWFLSA-N 1 3 320.481 2.320 20 0 DEADHO Cc1ccc([C@H](CNC(=O)C2([NH3+])CCC2)N2CCCC2)cc1 ZINC000449336528 292251846 /nfs/dbraw/zinc/25/18/46/292251846.db2.gz NXUCQLCGVXJKAX-INIZCTEOSA-N 1 3 301.434 2.130 20 0 DEADHO Cc1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)ccc1[O-] ZINC000272476571 402942007 /nfs/dbraw/zinc/94/20/07/402942007.db2.gz IVWQGIRTTWABGS-UHFFFAOYSA-N 1 3 321.465 2.046 20 0 DEADHO Cc1n[nH]c(CC[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)n1 ZINC000272482068 402942398 /nfs/dbraw/zinc/94/23/98/402942398.db2.gz AZLXTDRSLJGAEO-YOEHRIQHSA-N 1 3 313.449 2.156 20 0 DEADHO Cc1nc(CC[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)n[nH]1 ZINC000272482068 402942401 /nfs/dbraw/zinc/94/24/01/402942401.db2.gz AZLXTDRSLJGAEO-YOEHRIQHSA-N 1 3 313.449 2.156 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H]([NH3+])C2CCC2)N2CCCC2)cc1 ZINC000423362395 292253440 /nfs/dbraw/zinc/25/34/40/292253440.db2.gz SYQZKCPBZPQBHE-ROUUACIJSA-N 1 3 315.461 2.376 20 0 DEADHO COCCOCCN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272388709 402931151 /nfs/dbraw/zinc/93/11/51/402931151.db2.gz CNKNUCHCTIOKKA-AEFFLSMTSA-N 1 3 306.450 2.150 20 0 DEADHO COCCOCCN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272388709 402931152 /nfs/dbraw/zinc/93/11/52/402931152.db2.gz CNKNUCHCTIOKKA-AEFFLSMTSA-N 1 3 306.450 2.150 20 0 DEADHO CN(C)Cc1ccccc1CNC(=O)CC1CC[NH+](C)CC1 ZINC000273240270 402986413 /nfs/dbraw/zinc/98/64/13/402986413.db2.gz PZXYYXBRAUZTAK-UHFFFAOYSA-N 1 3 303.450 2.096 20 0 DEADHO Cc1ccc([C@H](CCn2cncn2)NCCC[NH+](C)C)cc1 ZINC000275596379 403108162 /nfs/dbraw/zinc/10/81/62/403108162.db2.gz DXWBCMWMPKPBOY-KRWDZBQOSA-N 1 3 301.438 2.259 20 0 DEADHO CC[NH+]1CCC(NC(=O)Nc2ccccc2CCN(C)C)CC1 ZINC000275700869 403117146 /nfs/dbraw/zinc/11/71/46/403117146.db2.gz SPDAAFVMESPQQN-UHFFFAOYSA-N 1 3 318.465 2.397 20 0 DEADHO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N1CCC(CC[NH3+])CC1 ZINC000566743581 292265645 /nfs/dbraw/zinc/26/56/45/292265645.db2.gz VAVRKHWFHSAPRO-UONOGXRCSA-N 1 3 321.440 2.452 20 0 DEADHO C[NH+](C)C1(CNC(=O)c2cccc(CN3CCCC3)c2)CCC1 ZINC000275996513 403138028 /nfs/dbraw/zinc/13/80/28/403138028.db2.gz OEXOBJPBJJBKJB-UHFFFAOYSA-N 1 3 315.461 2.497 20 0 DEADHO C[NH+](C)C1CCN(CCN[C@H]2CCCc3c(O)cccc32)CC1 ZINC000283946931 403234431 /nfs/dbraw/zinc/23/44/31/403234431.db2.gz FOOHNVSQFDINKR-SFHVURJKSA-N 1 3 317.477 2.385 20 0 DEADHO CN(c1ccccc1C[N@@H+]1CC[C@@H](CO)C1)C1CCN(C)CC1 ZINC000271160369 403271279 /nfs/dbraw/zinc/27/12/79/403271279.db2.gz ITGGSHVPKRNFQU-MRXNPFEDSA-N 1 3 317.477 2.031 20 0 DEADHO CN(c1ccccc1C[N@H+]1CC[C@@H](CO)C1)C1CCN(C)CC1 ZINC000271160369 403271280 /nfs/dbraw/zinc/27/12/80/403271280.db2.gz ITGGSHVPKRNFQU-MRXNPFEDSA-N 1 3 317.477 2.031 20 0 DEADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)C1 ZINC000285723923 403365795 /nfs/dbraw/zinc/36/57/95/403365795.db2.gz QGYGAYLYBOPWFA-CHWSQXEVSA-N 1 3 303.406 2.010 20 0 DEADHO CN1CCN(CC[NH2+]CCc2cccc(Cl)c2)CC1(C)C ZINC000298072800 403314565 /nfs/dbraw/zinc/31/45/65/403314565.db2.gz LDNYHZVVMHNADF-UHFFFAOYSA-N 1 3 309.885 2.498 20 0 DEADHO CC(C)(C)c1ncc(CNCCCC[N@@H+]2CCC[C@H]2CO)cn1 ZINC000342728492 403325483 /nfs/dbraw/zinc/32/54/83/403325483.db2.gz MZNJIRNYISDEEW-INIZCTEOSA-N 1 3 320.481 2.101 20 0 DEADHO CC(C)(C)c1ncc(CNCCCC[N@H+]2CCC[C@H]2CO)cn1 ZINC000342728492 403325486 /nfs/dbraw/zinc/32/54/86/403325486.db2.gz MZNJIRNYISDEEW-INIZCTEOSA-N 1 3 320.481 2.101 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000342764082 403340566 /nfs/dbraw/zinc/34/05/66/403340566.db2.gz FSGGMMBYADOOHH-KKUMJFAQSA-N 1 3 321.490 2.389 20 0 DEADHO CC[NH+](CC)CCNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000287392928 403590271 /nfs/dbraw/zinc/59/02/71/403590271.db2.gz VQNWRSBWMRVZCD-NVXWUHKLSA-N 1 3 320.481 2.319 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000346280942 403582541 /nfs/dbraw/zinc/58/25/41/403582541.db2.gz KKNOROVJYSLVCM-BRWVUGGUSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300219922 403582890 /nfs/dbraw/zinc/58/28/90/403582890.db2.gz ZVRPWZWEQLAXEW-LEOABGAYSA-N 1 3 321.465 2.068 20 0 DEADHO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300219922 403582894 /nfs/dbraw/zinc/58/28/94/403582894.db2.gz ZVRPWZWEQLAXEW-LEOABGAYSA-N 1 3 321.465 2.068 20 0 DEADHO CCN1CC[C@H]([NH2+]C[C@H](Cc2ccccc2)N(C)C)[C@H](C)C1 ZINC000347231591 403630629 /nfs/dbraw/zinc/63/06/29/403630629.db2.gz NTZBSPBLHHVJRG-NEWSRXKRSA-N 1 3 303.494 2.479 20 0 DEADHO CC[N@@H+]1CC[C@H](NC[C@H](Cc2ccccc2)N(C)C)[C@H](C)C1 ZINC000347231591 403630634 /nfs/dbraw/zinc/63/06/34/403630634.db2.gz NTZBSPBLHHVJRG-NEWSRXKRSA-N 1 3 303.494 2.479 20 0 DEADHO CC[N@H+]1CC[C@H](NC[C@H](Cc2ccccc2)N(C)C)[C@H](C)C1 ZINC000347231591 403630638 /nfs/dbraw/zinc/63/06/38/403630638.db2.gz NTZBSPBLHHVJRG-NEWSRXKRSA-N 1 3 303.494 2.479 20 0 DEADHO CC(C)CN1CCC[C@H](C[NH2+][C@H](C)C(C)(C)n2cncn2)C1 ZINC000340534107 403639133 /nfs/dbraw/zinc/63/91/33/403639133.db2.gz JPDWEBAJLHIYHK-HZPDHXFCSA-N 1 3 307.486 2.359 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@H](C)C(C)(C)n2cncn2)C1 ZINC000340534107 403639139 /nfs/dbraw/zinc/63/91/39/403639139.db2.gz JPDWEBAJLHIYHK-HZPDHXFCSA-N 1 3 307.486 2.359 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](CN[C@H](C)C(C)(C)n2cncn2)C1 ZINC000340534107 403639143 /nfs/dbraw/zinc/63/91/43/403639143.db2.gz JPDWEBAJLHIYHK-HZPDHXFCSA-N 1 3 307.486 2.359 20 0 DEADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2ccc3c[nH]nc3c2)CC1 ZINC000333124383 403670989 /nfs/dbraw/zinc/67/09/89/403670989.db2.gz ISEBHPOSGHBCKL-FUHWJXTLSA-N 1 3 314.433 2.281 20 0 DEADHO CCN1CCN(CCCC[NH2+][C@@H](C)Cc2ccc(O)cc2)CC1 ZINC000294229821 403678554 /nfs/dbraw/zinc/67/85/54/403678554.db2.gz MHHNTYUWJYCQQE-KRWDZBQOSA-N 1 3 319.493 2.331 20 0 DEADHO Cc1nn(C(C)C)cc1CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000333164872 403683009 /nfs/dbraw/zinc/68/30/09/403683009.db2.gz OQSLHPKUJIMGDY-ROUUACIJSA-N 1 3 320.481 2.491 20 0 DEADHO CSc1ccc([C@@H](CNC(=O)C[N@H+](C)C(C)C)N(C)C)cc1 ZINC000294309872 403699842 /nfs/dbraw/zinc/69/98/42/403699842.db2.gz IDKRSAKMLUUDTM-MRXNPFEDSA-N 1 3 323.506 2.468 20 0 DEADHO CSc1ccc([C@@H](CNC(=O)C[N@@H+](C)C(C)C)N(C)C)cc1 ZINC000294309872 403699843 /nfs/dbraw/zinc/69/98/43/403699843.db2.gz IDKRSAKMLUUDTM-MRXNPFEDSA-N 1 3 323.506 2.468 20 0 DEADHO CC(C)c1nnc2n1C[C@H]([NH2+][C@H]1C[C@@H](N)c3ccccc31)CC2 ZINC000333242184 403704412 /nfs/dbraw/zinc/70/44/12/403704412.db2.gz FCGSBIAYFQXRPH-WQVCFCJDSA-N 1 3 311.433 2.451 20 0 DEADHO C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccsc1 ZINC000333244124 403705331 /nfs/dbraw/zinc/70/53/31/403705331.db2.gz FJOJOPMNCGFEFI-XFJVYGCCSA-N 1 3 307.463 2.046 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CCCN1C ZINC000343752976 403719368 /nfs/dbraw/zinc/71/93/68/403719368.db2.gz HQVFYGUTJHIBJW-QLFBSQMISA-N 1 3 312.502 2.135 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000340990760 403725393 /nfs/dbraw/zinc/72/53/93/403725393.db2.gz VEXLFSMLZIPTTA-BRWVUGGUSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000340990760 403725396 /nfs/dbraw/zinc/72/53/96/403725396.db2.gz VEXLFSMLZIPTTA-BRWVUGGUSA-N 1 3 324.513 2.280 20 0 DEADHO Cc1cc(NC(=O)CCN(CCC[NH3+])Cc2ccccc2)no1 ZINC000303986206 403759553 /nfs/dbraw/zinc/75/95/53/403759553.db2.gz IULFGFLLRKJRFT-UHFFFAOYSA-N 1 3 316.405 2.163 20 0 DEADHO Cc1noc([C@@H]2CC[C@H](CNC3CC[NH+](C(C)(C)C)CC3)O2)n1 ZINC000333478293 403761961 /nfs/dbraw/zinc/76/19/61/403761961.db2.gz RYDCKRLPBGWPBK-CABCVRRESA-N 1 3 322.453 2.451 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)CCN1C ZINC000341209952 403836497 /nfs/dbraw/zinc/83/64/97/403836497.db2.gz VMFOIFDBWBNXCZ-HZPDHXFCSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000343906498 403784806 /nfs/dbraw/zinc/78/48/06/403784806.db2.gz MKYGPWSUJLNLGG-BBWFWOEESA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000343906498 403784812 /nfs/dbraw/zinc/78/48/12/403784812.db2.gz MKYGPWSUJLNLGG-BBWFWOEESA-N 1 3 324.513 2.279 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCN2CCC[C@H](C)C2)C[C@@H]1C ZINC000361747665 403839193 /nfs/dbraw/zinc/83/91/93/403839193.db2.gz NUTOBOZSAWQMCJ-ULQDDVLXSA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCCN2CCC[C@H](C)C2)C[C@@H]1C ZINC000361747665 403839199 /nfs/dbraw/zinc/83/91/99/403839199.db2.gz NUTOBOZSAWQMCJ-ULQDDVLXSA-N 1 3 324.513 2.233 20 0 DEADHO COC[C@H](C)NC(=[NH2+])NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000361805004 403874771 /nfs/dbraw/zinc/87/47/71/403874771.db2.gz WETAFIPLNIEJAK-DOTOQJQBSA-N 1 3 318.465 2.047 20 0 DEADHO C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000341283585 403884253 /nfs/dbraw/zinc/88/42/53/403884253.db2.gz YZPKWRGYSYXNAR-HNAYVOBHSA-N 1 3 317.477 2.199 20 0 DEADHO CCC[C@@](C)(N)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309902097 403964551 /nfs/dbraw/zinc/96/45/51/403964551.db2.gz PEQXAMLZKJEDTM-SJLPKXTDSA-N 1 3 303.450 2.142 20 0 DEADHO CCC[C@@](C)(N)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309902097 403964559 /nfs/dbraw/zinc/96/45/59/403964559.db2.gz PEQXAMLZKJEDTM-SJLPKXTDSA-N 1 3 303.450 2.142 20 0 DEADHO C[C@H](CO)N(Cc1cccc(C[NH+]2CCCCC2)c1)C[C@H](C)O ZINC000411610413 403909173 /nfs/dbraw/zinc/90/91/73/403909173.db2.gz GTUVNFMIOSQSDY-SJORKVTESA-N 1 3 320.477 2.236 20 0 DEADHO CC(C)C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)N1CCOCC1 ZINC000336868159 403942041 /nfs/dbraw/zinc/94/20/41/403942041.db2.gz RLPIUCMZHSCTJK-YDZRNGNQSA-N 1 3 323.525 2.244 20 0 DEADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000351826282 403946115 /nfs/dbraw/zinc/94/61/15/403946115.db2.gz BGWMACUQUCHGJU-QAPCUYQASA-N 1 3 315.461 2.094 20 0 DEADHO Cc1cnccc1CNCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000295553267 403986779 /nfs/dbraw/zinc/98/67/79/403986779.db2.gz YNSWPVNVEBASKS-IBGZPJMESA-N 1 3 311.429 2.246 20 0 DEADHO Cc1cnccc1CNCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000295553267 403986782 /nfs/dbraw/zinc/98/67/82/403986782.db2.gz YNSWPVNVEBASKS-IBGZPJMESA-N 1 3 311.429 2.246 20 0 DEADHO CCN1CCC(NC(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000337389708 403992563 /nfs/dbraw/zinc/99/25/63/403992563.db2.gz YYIJLJKOSXSGLS-UHFFFAOYSA-N 1 3 324.513 2.425 20 0 DEADHO CCN1CCC(NC(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000337389708 403992573 /nfs/dbraw/zinc/99/25/73/403992573.db2.gz YYIJLJKOSXSGLS-UHFFFAOYSA-N 1 3 324.513 2.425 20 0 DEADHO c1n[nH]cc1CC[NH2+][C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000289716867 403994779 /nfs/dbraw/zinc/99/47/79/403994779.db2.gz JIMGFMIRWQYMEU-OTWHNJEPSA-N 1 3 310.445 2.452 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@H](C)CN2CCCC2)c1 ZINC000320919059 404070736 /nfs/dbraw/zinc/07/07/36/404070736.db2.gz QGPCRHDYPJCXQY-FUHWJXTLSA-N 1 3 320.477 2.365 20 0 DEADHO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@H](C)CN2CCCC2)c1 ZINC000320919063 404071235 /nfs/dbraw/zinc/07/12/35/404071235.db2.gz QGPCRHDYPJCXQY-WMZOPIPTSA-N 1 3 320.477 2.365 20 0 DEADHO CCc1cccc(NC(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000320866953 404071375 /nfs/dbraw/zinc/07/13/75/404071375.db2.gz IRTLBEMSTSODMX-IYBDPMFKSA-N 1 3 301.434 2.119 20 0 DEADHO CC(C)(CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCCCC1 ZINC000337580085 404111275 /nfs/dbraw/zinc/11/12/75/404111275.db2.gz NARKOVRHXYUSFU-CVEARBPZSA-N 1 3 322.497 2.177 20 0 DEADHO CC(C)(CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CCCCC1 ZINC000337580085 404111281 /nfs/dbraw/zinc/11/12/81/404111281.db2.gz NARKOVRHXYUSFU-CVEARBPZSA-N 1 3 322.497 2.177 20 0 DEADHO Cc1cnccc1C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000296241658 404159195 /nfs/dbraw/zinc/15/91/95/404159195.db2.gz CPQBQXWKOAYDGO-UHFFFAOYSA-N 1 3 324.472 2.427 20 0 DEADHO CCO[C@H](CC[NH+](C)C)CNCc1ccc(C(C)(C)O)cc1 ZINC000295398907 286442219 /nfs/dbraw/zinc/44/22/19/286442219.db2.gz LWLNFLDOIHKRDT-QGZVFWFLSA-N 1 3 308.466 2.360 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000344585261 404241214 /nfs/dbraw/zinc/24/12/14/404241214.db2.gz SPMRQMBJAWBBQS-BFYDXBDKSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H](CC(N)=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000341907328 404249071 /nfs/dbraw/zinc/24/90/71/404249071.db2.gz ZFLVDUMPNILKRM-HUUCEWRRSA-N 1 3 303.450 2.272 20 0 DEADHO C[C@H](CC(N)=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000341907328 404249075 /nfs/dbraw/zinc/24/90/75/404249075.db2.gz ZFLVDUMPNILKRM-HUUCEWRRSA-N 1 3 303.450 2.272 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(C)CC[C@H]1C ZINC000355403006 404330064 /nfs/dbraw/zinc/33/00/64/404330064.db2.gz NERDJILMLOTPNU-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(C)CC[C@H]1C ZINC000355403006 404330070 /nfs/dbraw/zinc/33/00/70/404330070.db2.gz NERDJILMLOTPNU-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@H](C1CC1)N1CCCC1 ZINC000352401025 404343598 /nfs/dbraw/zinc/34/35/98/404343598.db2.gz YJHBSKXFESFCKS-MSOLQXFVSA-N 1 3 319.493 2.242 20 0 DEADHO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@H](C1CC1)N1CCCC1 ZINC000352401025 404343602 /nfs/dbraw/zinc/34/36/02/404343602.db2.gz YJHBSKXFESFCKS-MSOLQXFVSA-N 1 3 319.493 2.242 20 0 DEADHO Cc1nn(C)cc1C[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000350270751 404358822 /nfs/dbraw/zinc/35/88/22/404358822.db2.gz UUDWFMHKQRBRBK-UHFFFAOYSA-N 1 3 313.449 2.472 20 0 DEADHO Cc1nn(C)cc1C[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000350270751 404358828 /nfs/dbraw/zinc/35/88/28/404358828.db2.gz UUDWFMHKQRBRBK-UHFFFAOYSA-N 1 3 313.449 2.472 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@H](C)CC[NH+](C)C)c1ccco1 ZINC000352341612 404299976 /nfs/dbraw/zinc/29/99/76/404299976.db2.gz ZBAZQIYKWRHHQC-ZNMIVQPWSA-N 1 3 324.469 2.348 20 0 DEADHO C[C@H]1CCN(C)CCN1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000342029848 404324730 /nfs/dbraw/zinc/32/47/30/404324730.db2.gz YBTAJVVMWZOWOO-GJZGRUSLSA-N 1 3 312.502 2.088 20 0 DEADHO CSC[C@H](O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000352433431 404368290 /nfs/dbraw/zinc/36/82/90/404368290.db2.gz VJUANGAMAYRPGO-RCCFBDPRSA-N 1 3 320.502 2.164 20 0 DEADHO CSC[C@H](O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000352433431 404368298 /nfs/dbraw/zinc/36/82/98/404368298.db2.gz VJUANGAMAYRPGO-RCCFBDPRSA-N 1 3 320.502 2.164 20 0 DEADHO CCN(CCNC(=O)N1CCC(C[NH+](CC)CC)CC1)C1CC1 ZINC000338530522 404384291 /nfs/dbraw/zinc/38/42/91/404384291.db2.gz YKBWOCJSWLNKMX-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO CNC(=O)c1cccc(CN(CCC[NH3+])CC2CCCC2)c1 ZINC000352494490 404411717 /nfs/dbraw/zinc/41/17/17/404411717.db2.gz CIXHZPMOGVIOCR-UHFFFAOYSA-N 1 3 303.450 2.387 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CCN1C ZINC000338575206 404412834 /nfs/dbraw/zinc/41/28/34/404412834.db2.gz YMHNNHKIEMXQRA-YJBOKZPZSA-N 1 3 315.461 2.495 20 0 DEADHO [NH3+]CC[C@@H]1CCCCN1CCc1nc(-c2ccccc2)no1 ZINC000352504606 404420053 /nfs/dbraw/zinc/42/00/53/404420053.db2.gz SDLOAPQILPTBQK-HNNXBMFYSA-N 1 3 300.406 2.482 20 0 DEADHO CN(CCNC(=O)NCC1([NH+](C)C)CCCCCC1)C1CC1 ZINC000352658356 404523044 /nfs/dbraw/zinc/52/30/44/404523044.db2.gz XWNDHPWHIIBUBP-UHFFFAOYSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccccc1 ZINC000414183455 404540341 /nfs/dbraw/zinc/54/03/41/404540341.db2.gz DWQFDTNQJXNZBY-QGZVFWFLSA-N 1 3 317.477 2.134 20 0 DEADHO C[C@@H]1CC[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C[C@H]1C ZINC000414196382 404545497 /nfs/dbraw/zinc/54/54/97/404545497.db2.gz OUFNHMGSGPVEMD-KURKYZTESA-N 1 3 323.525 2.197 20 0 DEADHO C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000342409272 404559194 /nfs/dbraw/zinc/55/91/94/404559194.db2.gz AQFQRZKDNKOYLE-BPQIPLTHSA-N 1 3 319.493 2.479 20 0 DEADHO C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000342409272 404559201 /nfs/dbraw/zinc/55/92/01/404559201.db2.gz AQFQRZKDNKOYLE-BPQIPLTHSA-N 1 3 319.493 2.479 20 0 DEADHO O=C(CC[C@H]1CCC[NH2+]1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000292067014 404654041 /nfs/dbraw/zinc/65/40/41/404654041.db2.gz KSXUEDCRDSGFIA-QZTJIDSGSA-N 1 3 315.461 2.299 20 0 DEADHO [NH3+][C@@H]1CC[C@H]2CN(CCC(=O)NCc3ccccc3Cl)C[C@H]12 ZINC000351497860 404611090 /nfs/dbraw/zinc/61/10/90/404611090.db2.gz VAYDFFJDZRQKNW-OFQRWUPVSA-N 1 3 321.852 2.015 20 0 DEADHO [NH3+][C@@H]1CC[C@H]2CN(CCCc3nc(-c4ccccc4)no3)C[C@@H]12 ZINC000351500790 404612681 /nfs/dbraw/zinc/61/26/81/404612681.db2.gz XLWJFSMTJYVMHY-ARFHVFGLSA-N 1 3 312.417 2.338 20 0 DEADHO CCc1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)cn1 ZINC000352781331 404616749 /nfs/dbraw/zinc/61/67/49/404616749.db2.gz YZVJPQHYGOVMBM-MSOLQXFVSA-N 1 3 303.450 2.111 20 0 DEADHO OC[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1CCCOC1 ZINC000414537891 404671068 /nfs/dbraw/zinc/67/10/68/404671068.db2.gz ABSWUKZJABHOLE-MAUKXSAKSA-N 1 3 310.482 2.161 20 0 DEADHO OC[C@@H](NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCOC1 ZINC000414537891 404671074 /nfs/dbraw/zinc/67/10/74/404671074.db2.gz ABSWUKZJABHOLE-MAUKXSAKSA-N 1 3 310.482 2.161 20 0 DEADHO CC(C)[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414671949 404704762 /nfs/dbraw/zinc/70/47/62/404704762.db2.gz HBMYIVWJQXTBJN-INIZCTEOSA-N 1 3 321.440 2.233 20 0 DEADHO CC(C)[N@H+](Cc1cccc(F)c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414671949 404704766 /nfs/dbraw/zinc/70/47/66/404704766.db2.gz HBMYIVWJQXTBJN-INIZCTEOSA-N 1 3 321.440 2.233 20 0 DEADHO CCC[C@H](C)NC(=O)[C@H](C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374163271 404700349 /nfs/dbraw/zinc/70/03/49/404700349.db2.gz PDGBBUQKCLJQGT-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO c1cc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c2c(c1)OCCO2 ZINC000414772400 404730033 /nfs/dbraw/zinc/73/00/33/404730033.db2.gz BUQCSVXMVYBWAY-LSDHHAIUSA-N 1 3 302.418 2.279 20 0 DEADHO O[C@H]1C[NH2+]C[C@H]1CNCC(Cc1ccccc1)Cc1ccccc1 ZINC000414787367 404735460 /nfs/dbraw/zinc/73/54/60/404735460.db2.gz MQLGEDQAQHCXRW-RTWAWAEBSA-N 1 3 324.468 2.258 20 0 DEADHO COc1cc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc(OC)c1O ZINC000414788504 404736411 /nfs/dbraw/zinc/73/64/11/404736411.db2.gz WRMSZZUFRSDVIR-LSDHHAIUSA-N 1 3 320.433 2.231 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)NCC[N@H+](C)C1CC1)c1ccco1 ZINC000353111016 404744552 /nfs/dbraw/zinc/74/45/52/404744552.db2.gz JEYWMPZVSZMWCE-DZGCQCFKSA-N 1 3 322.453 2.102 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)NCC[N@@H+](C)C1CC1)c1ccco1 ZINC000353111016 404744554 /nfs/dbraw/zinc/74/45/54/404744554.db2.gz JEYWMPZVSZMWCE-DZGCQCFKSA-N 1 3 322.453 2.102 20 0 DEADHO Cc1ccc(NC(=O)CCN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc1 ZINC000353157254 404756378 /nfs/dbraw/zinc/75/63/78/404756378.db2.gz UQUAEITZMFSCAH-XYPWUTKMSA-N 1 3 316.449 2.276 20 0 DEADHO Cc1ccc(NC(=O)CCN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nc1 ZINC000353157254 404756382 /nfs/dbraw/zinc/75/63/82/404756382.db2.gz UQUAEITZMFSCAH-XYPWUTKMSA-N 1 3 316.449 2.276 20 0 DEADHO COc1ccc(CNC[C@@H](C)C[NH3+])cc1OCc1cccnc1 ZINC000414882762 404757425 /nfs/dbraw/zinc/75/74/25/404757425.db2.gz UGKFGXLRSPOTSU-AWEZNQCLSA-N 1 3 315.417 2.354 20 0 DEADHO C[C@@H](CCCC[NH3+])NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000414893703 404761245 /nfs/dbraw/zinc/76/12/45/404761245.db2.gz YRDIROJYDRFJJG-AWEZNQCLSA-N 1 3 322.453 2.266 20 0 DEADHO CC1(C)CCCN[C@H]1C[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000414935034 404769448 /nfs/dbraw/zinc/76/94/48/404769448.db2.gz VVHONYHRHCNWHD-SFHVURJKSA-N 1 3 316.493 2.414 20 0 DEADHO CC1(C)CCC[NH2+][C@H]1CNC1CCN(Cc2ccncc2)CC1 ZINC000414935034 404769451 /nfs/dbraw/zinc/76/94/51/404769451.db2.gz VVHONYHRHCNWHD-SFHVURJKSA-N 1 3 316.493 2.414 20 0 DEADHO C[C@H]1C[C@H](CN2CCN(c3cccc(F)c3F)CC2)CC[NH2+]1 ZINC000414689159 404709041 /nfs/dbraw/zinc/70/90/41/404709041.db2.gz FIDQXMVRCSOPHM-UONOGXRCSA-N 1 3 309.404 2.475 20 0 DEADHO C[C@@H]1C[C@H](CN(C)[C@H]2CCN(c3ccccc3F)C2=O)CC[NH2+]1 ZINC000414745809 404722471 /nfs/dbraw/zinc/72/24/71/404722471.db2.gz RKQWFARWJSYDSQ-CPUCHLNUSA-N 1 3 319.424 2.251 20 0 DEADHO COc1ccc(F)c(N2CCN(C[C@@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000414752002 404724059 /nfs/dbraw/zinc/72/40/59/404724059.db2.gz BLYGBQWGRDHPNC-HUUCEWRRSA-N 1 3 321.440 2.344 20 0 DEADHO C[C@@H]1CCC[C@H](CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000357001718 404724276 /nfs/dbraw/zinc/72/42/76/404724276.db2.gz MSFNXKMFVOTAML-IKGGRYGDSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CCC[C@H](CN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000357001718 404724279 /nfs/dbraw/zinc/72/42/79/404724279.db2.gz MSFNXKMFVOTAML-IKGGRYGDSA-N 1 3 307.482 2.051 20 0 DEADHO Cc1ccc(NC(=O)NC[C@H]2CCCN(CCC[NH3+])C2)cc1 ZINC000414755116 404725309 /nfs/dbraw/zinc/72/53/09/404725309.db2.gz YUBZGXGSRNSOCD-OAHLLOKOSA-N 1 3 304.438 2.177 20 0 DEADHO CC(C)n1ncc2cc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)cnc21 ZINC000414766951 404728037 /nfs/dbraw/zinc/72/80/37/404728037.db2.gz IWCOCBCBIAMLJQ-IYBDPMFKSA-N 1 3 313.449 2.444 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(C)CCN(C)C1CC1 ZINC000353228214 404775680 /nfs/dbraw/zinc/77/56/80/404775680.db2.gz CFDOLKTWISDPCV-KRWDZBQOSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N(C)CCN(C)C1CC1 ZINC000353228214 404775681 /nfs/dbraw/zinc/77/56/81/404775681.db2.gz CFDOLKTWISDPCV-KRWDZBQOSA-N 1 3 324.513 2.233 20 0 DEADHO CN[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000568234425 292324639 /nfs/dbraw/zinc/32/46/39/292324639.db2.gz PAAMORHZHZZQSM-HNNXBMFYSA-N 1 3 303.450 2.287 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CN)c2ccc(F)cc2)C1 ZINC000358886099 404778683 /nfs/dbraw/zinc/77/86/83/404778683.db2.gz PYLPTBJQSAMHEJ-YOEHRIQHSA-N 1 3 321.440 2.058 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CN)c2ccc(F)cc2)C1 ZINC000358886099 404778687 /nfs/dbraw/zinc/77/86/87/404778687.db2.gz PYLPTBJQSAMHEJ-YOEHRIQHSA-N 1 3 321.440 2.058 20 0 DEADHO c1nn(Cc2ccccc2)cc1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415000341 404784667 /nfs/dbraw/zinc/78/46/67/404784667.db2.gz ATBHRDBKANHRIX-RBUKOAKNSA-N 1 3 310.445 2.409 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N1CC[C@]2(CCN(C)C2)C1)C(C)C ZINC000366278799 404784733 /nfs/dbraw/zinc/78/47/33/404784733.db2.gz JJRLIFCNTNETJB-SFHVURJKSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)C[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)N1CCOCC1 ZINC000353460777 404836730 /nfs/dbraw/zinc/83/67/30/404836730.db2.gz LIHOPZCWAHOTHI-NCXUSEDFSA-N 1 3 323.525 2.196 20 0 DEADHO CC(C)C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)N1CCOCC1 ZINC000353460777 404836736 /nfs/dbraw/zinc/83/67/36/404836736.db2.gz LIHOPZCWAHOTHI-NCXUSEDFSA-N 1 3 323.525 2.196 20 0 DEADHO Cn1nccc1CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377338110 404836905 /nfs/dbraw/zinc/83/69/05/404836905.db2.gz UBIRKESKRYVAPZ-RBUKOAKNSA-N 1 3 324.472 2.417 20 0 DEADHO Cn1nccc1CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377338110 404836908 /nfs/dbraw/zinc/83/69/08/404836908.db2.gz UBIRKESKRYVAPZ-RBUKOAKNSA-N 1 3 324.472 2.417 20 0 DEADHO CCc1noc(-c2ccc(CCNC[C@]3(C)CC[NH2+]C3)cc2)n1 ZINC000415075415 404801371 /nfs/dbraw/zinc/80/13/71/404801371.db2.gz FEQYYDYTZKAPSB-SFHVURJKSA-N 1 3 314.433 2.431 20 0 DEADHO C[C@@]1(CNC2CCN(C(=O)c3ccccc3F)CC2)CC[NH2+]C1 ZINC000415084948 404803696 /nfs/dbraw/zinc/80/36/96/404803696.db2.gz RZIDHRARLHQPSX-GOSISDBHSA-N 1 3 319.424 2.020 20 0 DEADHO CN1CCCN(CCC[NH2+]C2CCC3(CCCO3)CC2)CC1 ZINC000376412251 404820976 /nfs/dbraw/zinc/82/09/76/404820976.db2.gz RQINFFNPKGSTCH-UHFFFAOYSA-N 1 3 309.498 2.095 20 0 DEADHO C[N@@H+]1CCCC[C@H]1CCN1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000451214444 404905253 /nfs/dbraw/zinc/90/52/53/404905253.db2.gz WNWBLKCLUWISTR-CVEARBPZSA-N 1 3 309.498 2.474 20 0 DEADHO C[N@H+]1CCCC[C@H]1CCN1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000451214444 404905258 /nfs/dbraw/zinc/90/52/58/404905258.db2.gz WNWBLKCLUWISTR-CVEARBPZSA-N 1 3 309.498 2.474 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415585381 404889207 /nfs/dbraw/zinc/88/92/07/404889207.db2.gz XJBONCRBJUCOHI-GOEBONIOSA-N 1 3 318.465 2.430 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)Nc2ccccc2CCN(C)C)CC[NH2+]1 ZINC000415586031 404889310 /nfs/dbraw/zinc/88/93/10/404889310.db2.gz XXYYIQMTQLGQTR-ZFWWWQNUSA-N 1 3 304.438 2.053 20 0 DEADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@H](CO)C3CCOCC3)CC2)C1 ZINC000360824925 404839856 /nfs/dbraw/zinc/83/98/56/404839856.db2.gz KRDYGLOOCNUMET-ATZDWAIDSA-N 1 3 324.509 2.407 20 0 DEADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@H](CO)C3CCOCC3)CC2)C1 ZINC000360824925 404839858 /nfs/dbraw/zinc/83/98/58/404839858.db2.gz KRDYGLOOCNUMET-ATZDWAIDSA-N 1 3 324.509 2.407 20 0 DEADHO C[N@@H+]1CC[C@H](NCCNC(=O)CC2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000353515955 404854376 /nfs/dbraw/zinc/85/43/76/404854376.db2.gz IWHFIYUCJZZXIJ-ULQDDVLXSA-N 1 3 307.482 2.145 20 0 DEADHO C[N@H+]1CC[C@H](NCCNC(=O)CC2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000353515955 404854378 /nfs/dbraw/zinc/85/43/78/404854378.db2.gz IWHFIYUCJZZXIJ-ULQDDVLXSA-N 1 3 307.482 2.145 20 0 DEADHO COCc1cccc(CN2CCC(OCC[NH+](C)C)CC2)c1 ZINC000353517527 404855177 /nfs/dbraw/zinc/85/51/77/404855177.db2.gz IYRGNRLKVQKTPK-UHFFFAOYSA-N 1 3 306.450 2.376 20 0 DEADHO COC[C@]1(CN[C@H]2CC[N@H+](C)C[C@@H]2C)OCCc2ccccc21 ZINC000353562407 404866581 /nfs/dbraw/zinc/86/65/81/404866581.db2.gz CFBNARPSTKMHII-SNRMKQJTSA-N 1 3 318.461 2.031 20 0 DEADHO COC[C@]1(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)OCCc2ccccc21 ZINC000353562407 404866584 /nfs/dbraw/zinc/86/65/84/404866584.db2.gz CFBNARPSTKMHII-SNRMKQJTSA-N 1 3 318.461 2.031 20 0 DEADHO CCN(Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc1)C1CC1 ZINC000423971399 404954145 /nfs/dbraw/zinc/95/41/45/404954145.db2.gz HABMBKMALQTHOV-CXAGYDPISA-N 1 3 301.434 2.090 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000423975666 404956369 /nfs/dbraw/zinc/95/63/69/404956369.db2.gz OFBKUBBVBYWGQY-MSOLQXFVSA-N 1 3 315.461 2.352 20 0 DEADHO C[C@H]1CN(C)CC[C@@H]1[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000361174197 404958607 /nfs/dbraw/zinc/95/86/07/404958607.db2.gz UTARDVHHINNXJJ-LPHOPBHVSA-N 1 3 319.493 2.099 20 0 DEADHO Cc1csc(=O)n1CCN1CCCC2(CC[NH+](C)CC2)C1 ZINC000367201797 404963897 /nfs/dbraw/zinc/96/38/97/404963897.db2.gz VTLWITWJBMSCSK-UHFFFAOYSA-N 1 3 309.479 2.026 20 0 DEADHO C[C@@H]1CC[C@H]([NH2+]CC(=O)NCCN2CCCCCC2)C[C@@H]1C ZINC000353669117 404911249 /nfs/dbraw/zinc/91/12/49/404911249.db2.gz BMKFWTOSDYKJPY-IKGGRYGDSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@H]([NH3+])C1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000416815669 404921549 /nfs/dbraw/zinc/92/15/49/404921549.db2.gz WRQMPIICHHADRH-WMLDXEAASA-N 1 3 318.465 2.058 20 0 DEADHO CC(C)(N)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423916651 404928797 /nfs/dbraw/zinc/92/87/97/404928797.db2.gz ZETKVZRXSMHXLH-IRXDYDNUSA-N 1 3 315.461 2.237 20 0 DEADHO CC(C)(N)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423916651 404928802 /nfs/dbraw/zinc/92/88/02/404928802.db2.gz ZETKVZRXSMHXLH-IRXDYDNUSA-N 1 3 315.461 2.237 20 0 DEADHO CC(C)(CNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)N1CCCCC1 ZINC000416837534 404929274 /nfs/dbraw/zinc/92/92/74/404929274.db2.gz XHKPOXOUPSCRII-CABCVRRESA-N 1 3 310.486 2.068 20 0 DEADHO [NH3+][C@@H]1CCCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000416842064 404932074 /nfs/dbraw/zinc/93/20/74/404932074.db2.gz MPAZNXDKYGJWCS-KGLIPLIRSA-N 1 3 322.478 2.018 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)N[C@@H](C)CCC[NH3+])N(C)C)cc1 ZINC000416846122 404932786 /nfs/dbraw/zinc/93/27/86/404932786.db2.gz SYVWOJYAEOYHED-WMLDXEAASA-N 1 3 320.481 2.278 20 0 DEADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCCNCC3)ccc21 ZINC000415796356 404944966 /nfs/dbraw/zinc/94/49/66/404944966.db2.gz XYQFBJBFNNEIOK-INIZCTEOSA-N 1 3 302.422 2.063 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccc(CN(C)C)cc1 ZINC000416880837 404948810 /nfs/dbraw/zinc/94/88/10/404948810.db2.gz GUEDASNPAGJYEM-YOEHRIQHSA-N 1 3 318.465 2.160 20 0 DEADHO C[C@@H]1CCN(C(=O)NCc2ccc(CN(C)C)cc2)[C@@H](C[NH3+])C1 ZINC000416888327 404951415 /nfs/dbraw/zinc/95/14/15/404951415.db2.gz OORYQTBCZJSMBW-RHSMWYFYSA-N 1 3 318.465 2.017 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)N(CC)CC ZINC000424024856 404975194 /nfs/dbraw/zinc/97/51/94/404975194.db2.gz HSPPMSWUBFKNEE-UAGQMJEPSA-N 1 3 321.440 2.199 20 0 DEADHO CCCN1CCN(c2ccccc2CN2CCC([NH3+])CC2)CC1 ZINC000435396818 404977337 /nfs/dbraw/zinc/97/73/37/404977337.db2.gz ZCAJFCUEQZBBJR-UHFFFAOYSA-N 1 3 316.493 2.142 20 0 DEADHO C[C@@H](C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)N1CCCCCC1 ZINC000424036994 404978775 /nfs/dbraw/zinc/97/87/75/404978775.db2.gz FYAYUHPYBXPEPD-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)(CC[NH3+])NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000424049373 404984725 /nfs/dbraw/zinc/98/47/25/404984725.db2.gz UXAMFONIIABTIO-UHFFFAOYSA-N 1 3 303.450 2.142 20 0 DEADHO C[NH2+]Cc1ccc(NC(=O)N2CC[C@H](N3CCCCC3)C2)cc1 ZINC000415974810 404990713 /nfs/dbraw/zinc/99/07/13/404990713.db2.gz RMCDDWLXWXXQAZ-KRWDZBQOSA-N 1 3 316.449 2.498 20 0 DEADHO CCN(CC)[C@H](CNC(=O)NCCCC[NH3+])c1ccsc1 ZINC000417004726 404996740 /nfs/dbraw/zinc/99/67/40/404996740.db2.gz HVQOQKPQXLZVET-CQSZACIVSA-N 1 3 312.483 2.169 20 0 DEADHO COc1cccc(NC(=O)CCN(C)[C@H]2CCC[NH2+]CC2)c1 ZINC000435621299 404997683 /nfs/dbraw/zinc/99/76/83/404997683.db2.gz KKUQMQLRMYYMQT-HNNXBMFYSA-N 1 3 305.422 2.098 20 0 DEADHO CCCN(C(=O)NC[C@H](C)N1CCC[C@H](C)C1)C1CC[NH2+]CC1 ZINC000417009043 404999372 /nfs/dbraw/zinc/99/93/72/404999372.db2.gz JTTMDDTYZBQVEF-HOTGVXAUSA-N 1 3 324.513 2.280 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)NCC1([NH3+])CCC1)c1ccsc1 ZINC000417011494 405000351 /nfs/dbraw/zinc/00/03/51/405000351.db2.gz RZNGTQHCVWLHMY-AWEZNQCLSA-N 1 3 324.494 2.312 20 0 DEADHO CCN(CC)[C@H](CNC(=O)NC(C)(C)C[NH3+])c1ccsc1 ZINC000417014126 405001188 /nfs/dbraw/zinc/00/11/88/405001188.db2.gz ZNDBMRWGHZHFSL-CYBMUJFWSA-N 1 3 312.483 2.168 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CCN1C ZINC000417744087 405094626 /nfs/dbraw/zinc/09/46/26/405094626.db2.gz CMRQGVXSSQWWOT-QBPKDAKJSA-N 1 3 322.497 2.033 20 0 DEADHO Cc1cc(CN)cc(NC(=O)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000424448101 405097742 /nfs/dbraw/zinc/09/77/42/405097742.db2.gz WWNKTUSPXSQXDE-CQSZACIVSA-N 1 3 304.438 2.307 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000389898635 405041375 /nfs/dbraw/zinc/04/13/75/405041375.db2.gz BOGVEIXNPFDRLA-HHXXYDBFSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@H]1CC2(CN1C(=O)C[C@H](N)c1ccccc1)CC[NH2+]CC2 ZINC000424236081 405046079 /nfs/dbraw/zinc/04/60/79/405046079.db2.gz LCTJLNPUGWWVKE-HOCLYGCPSA-N 1 3 301.434 2.067 20 0 DEADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000354186316 405087316 /nfs/dbraw/zinc/08/73/16/405087316.db2.gz FOSOWVJENXWCFG-LPHOPBHVSA-N 1 3 323.525 2.340 20 0 DEADHO C[C@@H](CC[NH3+])NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418538732 405132019 /nfs/dbraw/zinc/13/20/19/405132019.db2.gz FGCSDCBHTZEISB-RDJZCZTQSA-N 1 3 318.465 2.030 20 0 DEADHO C[NH2+]C[C@H]1CCCN(C(=O)N[C@@H](CC(C)C)CN2CCCC2)C1 ZINC000418238030 405118929 /nfs/dbraw/zinc/11/89/29/405118929.db2.gz OQYDLLMCYHFGEH-SJORKVTESA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000418351425 405124039 /nfs/dbraw/zinc/12/40/39/405124039.db2.gz LRXZZJDDNVZWKN-RRQGHBQHSA-N 1 3 318.465 2.189 20 0 DEADHO CN(C)CCN(C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)C1CCCC1 ZINC000418636054 405145176 /nfs/dbraw/zinc/14/51/76/405145176.db2.gz HPKZLELTDTUSDK-INIZCTEOSA-N 1 3 324.513 2.280 20 0 DEADHO Cc1cc(Br)c(CNCCOCC[NH+](C)C)s1 ZINC000419687460 405262681 /nfs/dbraw/zinc/26/26/81/405262681.db2.gz PSUWZTXMOSVTJU-UHFFFAOYSA-N 1 3 321.284 2.487 20 0 DEADHO CCC[C@H](O)[C@H](CO)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000419806357 405266219 /nfs/dbraw/zinc/26/62/19/405266219.db2.gz FGXLVTNIPVPDLZ-BVBHFADKSA-N 1 3 320.477 2.151 20 0 DEADHO CCC[C@H](O)[C@H](CO)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000419806357 405266220 /nfs/dbraw/zinc/26/62/20/405266220.db2.gz FGXLVTNIPVPDLZ-BVBHFADKSA-N 1 3 320.477 2.151 20 0 DEADHO CN1CCN(CC2(C)CC[NH+](CCOCC3CCC3)CC2)CC1 ZINC000419234082 405231382 /nfs/dbraw/zinc/23/13/82/405231382.db2.gz BIOFMNBEZKUHBV-UHFFFAOYSA-N 1 3 323.525 2.153 20 0 DEADHO Clc1ccccc1C[C@@H]1CCCN1CCN1CC[NH2+]CC1 ZINC000420302935 405311496 /nfs/dbraw/zinc/31/14/96/405311496.db2.gz KBEQYOKTQQYSMC-INIZCTEOSA-N 1 3 307.869 2.252 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN2CCNCc3ccccc32)cc1 ZINC000420301415 405311681 /nfs/dbraw/zinc/31/16/81/405311681.db2.gz VWSUIRYTBPGPJW-QGZVFWFLSA-N 1 3 311.429 2.347 20 0 DEADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000420314551 405315973 /nfs/dbraw/zinc/31/59/73/405315973.db2.gz KIZBKMLFTBFPMP-QAPCUYQASA-N 1 3 314.433 2.308 20 0 DEADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000420314551 405315976 /nfs/dbraw/zinc/31/59/76/405315976.db2.gz KIZBKMLFTBFPMP-QAPCUYQASA-N 1 3 314.433 2.308 20 0 DEADHO CCN(CC[C@H]1CCC[NH2+]C1)CC(=O)NCc1ccc(F)cc1 ZINC000420317712 405317217 /nfs/dbraw/zinc/31/72/17/405317217.db2.gz NUIFTHDDMNXCCX-OAHLLOKOSA-N 1 3 321.440 2.154 20 0 DEADHO C[C@@H](CNC(=O)NCCCC[N@H+](C)C1CC1)N1CCCC[C@H]1C ZINC000454251641 405317599 /nfs/dbraw/zinc/31/75/99/405317599.db2.gz COLALXHHSSBWPF-CVEARBPZSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H](CNC(=O)NCCCC[N@@H+](C)C1CC1)N1CCCC[C@H]1C ZINC000454251641 405317603 /nfs/dbraw/zinc/31/76/03/405317603.db2.gz COLALXHHSSBWPF-CVEARBPZSA-N 1 3 324.513 2.423 20 0 DEADHO COc1c(C)cnc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1C ZINC000420322460 405318800 /nfs/dbraw/zinc/31/88/00/405318800.db2.gz AGEVEZSWBPQFNU-QAPCUYQASA-N 1 3 319.449 2.035 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420330657 405322177 /nfs/dbraw/zinc/32/21/77/405322177.db2.gz BBGGPOSJGCALLU-YVSFHVDLSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCCCOc1ccc2c(c1)OCO2 ZINC000420381243 405339095 /nfs/dbraw/zinc/33/90/95/405339095.db2.gz ZCGGHMOGSSJVJO-IGCXYCKISA-N 1 3 306.406 2.160 20 0 DEADHO [NH3+][C@@H]1CCO[C@H](C2CCN(CCOc3ccccc3)CC2)C1 ZINC000420393752 405342543 /nfs/dbraw/zinc/34/25/43/405342543.db2.gz QYKRAMXHDGOGKN-AEFFLSMTSA-N 1 3 304.434 2.284 20 0 DEADHO C[C@H](C(=O)NCC1CC[NH+](C2CC2)CC1)N1[C@H](C)CC[C@H]1C ZINC000446445354 405382682 /nfs/dbraw/zinc/38/26/82/405382682.db2.gz TYELNJAQSICIOM-RBSFLKMASA-N 1 3 307.482 2.238 20 0 DEADHO CN(C)C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000427301926 405399088 /nfs/dbraw/zinc/39/90/88/405399088.db2.gz ZLOJTCAIUVJOCZ-NVXWUHKLSA-N 1 3 303.450 2.185 20 0 DEADHO CCN(Cc1ccc(C(=O)N2CCC([NH2+]C)CC2)cc1)C1CC1 ZINC000429397855 405428543 /nfs/dbraw/zinc/42/85/43/405428543.db2.gz KDYJYNAQMFTVNX-UHFFFAOYSA-N 1 3 315.461 2.495 20 0 DEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000454642080 405375719 /nfs/dbraw/zinc/37/57/19/405375719.db2.gz LHEBVUCZDZRHTD-ZACQAIPSSA-N 1 3 324.513 2.279 20 0 DEADHO CCN(Cc1ccc(C(=O)NCC[C@H]2CC[NH2+]C2)cc1)C1CC1 ZINC000429437088 405430149 /nfs/dbraw/zinc/43/01/49/405430149.db2.gz YTDMBYQLEGYROA-OAHLLOKOSA-N 1 3 315.461 2.400 20 0 DEADHO CCc1ccc([C@@H](C)NC(=O)[C@H](C)N2CCC(C[NH3+])CC2)cc1 ZINC000430628264 405472354 /nfs/dbraw/zinc/47/23/54/405472354.db2.gz VFVWWXWNYYDQGX-CABCVRRESA-N 1 3 317.477 2.485 20 0 DEADHO CC[C@H](C)[C@H](C[NH2+]C1CCN(C2CCN(C)CC2)CC1)OC ZINC000638459236 405481543 /nfs/dbraw/zinc/48/15/43/405481543.db2.gz JHKCVKXLYPIZGI-YJBOKZPZSA-N 1 3 311.514 2.196 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000458046196 405481814 /nfs/dbraw/zinc/48/18/14/405481814.db2.gz LFHIZLUKLKCWPK-DLBZAZTESA-N 1 3 324.513 2.231 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000458046196 405481825 /nfs/dbraw/zinc/48/18/25/405481825.db2.gz LFHIZLUKLKCWPK-DLBZAZTESA-N 1 3 324.513 2.231 20 0 DEADHO CN(C[C@H]1CCCN(C)C1)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000577636926 405485172 /nfs/dbraw/zinc/48/51/72/405485172.db2.gz CDKJBNFGOWFPJY-RDJZCZTQSA-N 1 3 303.450 2.267 20 0 DEADHO C[C@@H](NC(=O)[C@@H](C)N1CCC2(CC[NH2+]C2)CC1)c1ccccc1 ZINC000431013235 405559513 /nfs/dbraw/zinc/55/95/13/405559513.db2.gz ICZPTXDRNKIMHA-HZPDHXFCSA-N 1 3 315.461 2.328 20 0 DEADHO CCN(Cc1ccccc1)C(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000431021851 405561200 /nfs/dbraw/zinc/56/12/00/405561200.db2.gz DSDGUXPQMMNSMO-UHFFFAOYSA-N 1 3 315.461 2.111 20 0 DEADHO CCCCN(CCCC)C(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000431027004 405563157 /nfs/dbraw/zinc/56/31/57/405563157.db2.gz YXXVAZKVUYPYNU-UHFFFAOYSA-N 1 3 309.498 2.491 20 0 DEADHO C[C@@H](CCNC(=O)[C@H]1CCN1C1CCCC1)[NH+]1CCCCC1 ZINC000635796107 405513701 /nfs/dbraw/zinc/51/37/01/405513701.db2.gz YFLFFVRSBFHVMX-DOTOQJQBSA-N 1 3 307.482 2.384 20 0 DEADHO FC(F)(F)Cn1cc(CN2CCC3(CC[NH2+]C3)CC2)cn1 ZINC000430914407 405526103 /nfs/dbraw/zinc/52/61/03/405526103.db2.gz KEXFLUNPNSZWFR-UHFFFAOYSA-N 1 3 302.344 2.021 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000449367272 405527429 /nfs/dbraw/zinc/52/74/29/405527429.db2.gz UXMZDHCDCVCHDY-IXYNUQLISA-N 1 3 321.490 2.103 20 0 DEADHO C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCC([C@H](C)[NH3+])CC1 ZINC000430946854 405541490 /nfs/dbraw/zinc/54/14/90/405541490.db2.gz BWQHSBJARHDWFR-SOUVJXGZSA-N 1 3 303.450 2.312 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)N(CC)CC ZINC000638559792 405546711 /nfs/dbraw/zinc/54/67/11/405546711.db2.gz QRGXNMSJNAOWBM-RWMBFGLXSA-N 1 3 323.403 2.093 20 0 DEADHO C[C@@H](NC(=O)CN1CCC2(CC[NH2+]C2)CC1)c1ccc(F)cc1 ZINC000431041873 405566527 /nfs/dbraw/zinc/56/65/27/405566527.db2.gz AINPCYHFGSWLLC-CQSZACIVSA-N 1 3 319.424 2.078 20 0 DEADHO CC[C@@H]([NH2+]Cc1ccccc1N(C)C1CCN(C)CC1)[C@H](C)O ZINC000449542591 405605757 /nfs/dbraw/zinc/60/57/57/405605757.db2.gz MWENOBOQXSDXOX-MAUKXSAKSA-N 1 3 319.493 2.466 20 0 DEADHO C[C@H](CNC1CC[NH+](CC(C)(C)O)CC1)Oc1ccccc1F ZINC000638701885 405625475 /nfs/dbraw/zinc/62/54/75/405625475.db2.gz WPTFJMLQLIYNJX-CQSZACIVSA-N 1 3 324.440 2.418 20 0 DEADHO CO[C@H](C[NH2+]CC1(O)CCN(C(C)C)CC1)Cc1ccccc1 ZINC000638738371 405641144 /nfs/dbraw/zinc/64/11/44/405641144.db2.gz IZZXHHDBJQZLNV-SFHVURJKSA-N 1 3 320.477 2.069 20 0 DEADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2N[C@H]1CCN(C2CC2)C1 ZINC000422739394 405679329 /nfs/dbraw/zinc/67/93/29/405679329.db2.gz LBSKQTADHFRBPC-POZUXBRTSA-N 1 3 313.445 2.069 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@@H](NC[C@H](O)COCc2ccccc2)C1 ZINC000580710284 405670977 /nfs/dbraw/zinc/67/09/77/405670977.db2.gz YKNXTRCAERHQDH-KURKYZTESA-N 1 3 306.450 2.027 20 0 DEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COCc2ccccc2)C1 ZINC000580710284 405670980 /nfs/dbraw/zinc/67/09/80/405670980.db2.gz YKNXTRCAERHQDH-KURKYZTESA-N 1 3 306.450 2.027 20 0 DEADHO O=C1NCCN(CCC2CC[NH2+]CC2)[C@@H]1CC1CCCCC1 ZINC000422628533 405674156 /nfs/dbraw/zinc/67/41/56/405674156.db2.gz AXHQDMXZOJMWSS-QGZVFWFLSA-N 1 3 307.482 2.147 20 0 DEADHO CC[C@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCCCN1 ZINC000422799583 405684550 /nfs/dbraw/zinc/68/45/50/405684550.db2.gz XMYPTYCCZFOURA-VVLHAWIVSA-N 1 3 311.514 2.385 20 0 DEADHO C[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N)COCc1ccccc1 ZINC000422772493 405682070 /nfs/dbraw/zinc/68/20/70/405682070.db2.gz ZCKMAHLUGJEBCP-XYVMCAHJSA-N 1 3 306.450 2.181 20 0 DEADHO C[C@@H](C[C@H]1COCCN1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000422816553 405683874 /nfs/dbraw/zinc/68/38/74/405683874.db2.gz ARWRHWVIHFEVJP-RDJZCZTQSA-N 1 3 309.498 2.140 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000423066375 405698626 /nfs/dbraw/zinc/69/86/26/405698626.db2.gz WTYAQHUVQFHSBJ-LZQZEXGQSA-N 1 3 301.478 2.485 20 0 DEADHO CCC[C@](C)(O)CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422979409 405692800 /nfs/dbraw/zinc/69/28/00/405692800.db2.gz MQHSCBIZMYLPQT-BPQIPLTHSA-N 1 3 304.434 2.383 20 0 DEADHO COC[C@H](NCCOCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000494437441 405696525 /nfs/dbraw/zinc/69/65/25/405696525.db2.gz TVTJJKKRYOWKHV-HNNXBMFYSA-N 1 3 300.830 2.195 20 0 DEADHO CN(C)[C@H](CNC1CC[NH+](CC(C)(C)O)CC1)c1ccccc1 ZINC000638846663 405711483 /nfs/dbraw/zinc/71/14/83/405711483.db2.gz AETUHLOAMVPLJO-GOSISDBHSA-N 1 3 319.493 2.114 20 0 DEADHO CN(C)[C@H](C[NH2+]C1CCN(CC(C)(C)O)CC1)c1ccccc1 ZINC000638846663 405711488 /nfs/dbraw/zinc/71/14/88/405711488.db2.gz AETUHLOAMVPLJO-GOSISDBHSA-N 1 3 319.493 2.114 20 0 DEADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C1(N)CCCC1 ZINC000638835368 405702957 /nfs/dbraw/zinc/70/29/57/405702957.db2.gz LFFNQJDKDOLALE-RDJZCZTQSA-N 1 3 315.461 2.142 20 0 DEADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C1(N)CCCC1 ZINC000638835368 405702965 /nfs/dbraw/zinc/70/29/65/405702965.db2.gz LFFNQJDKDOLALE-RDJZCZTQSA-N 1 3 315.461 2.142 20 0 DEADHO C[C@@H](CNC(=O)NC(C)(C)CN(C)Cc1ccccc1)[NH+](C)C ZINC000459032891 405705891 /nfs/dbraw/zinc/70/58/91/405705891.db2.gz BNPSPWCFTOZLKV-HNNXBMFYSA-N 1 3 320.481 2.146 20 0 DEADHO C[C@@H](CNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)N(C)C ZINC000459033513 405706218 /nfs/dbraw/zinc/70/62/18/405706218.db2.gz BRIZAENGYDCNHM-YESZJQIVSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](CNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)N(C)C ZINC000459033513 405706220 /nfs/dbraw/zinc/70/62/20/405706220.db2.gz BRIZAENGYDCNHM-YESZJQIVSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](NCCN1CC[NH2+]CC1)c1ccccc1Br ZINC000423199595 405718748 /nfs/dbraw/zinc/71/87/48/405718748.db2.gz CBIFHCIKILOOBI-GFCCVEGCSA-N 1 3 312.255 2.005 20 0 DEADHO CN(CC(=O)NCC[C@H]([NH3+])Cc1ccccc1)CC(C)(C)C ZINC000638881943 405738201 /nfs/dbraw/zinc/73/82/01/405738201.db2.gz YZMNJUUOBZZEOW-INIZCTEOSA-N 1 3 305.466 2.041 20 0 DEADHO C[C@H]1CN(CCC[NH2+]Cc2ccc([S@](C)=O)cc2)CCCO1 ZINC000432359287 405754912 /nfs/dbraw/zinc/75/49/12/405754912.db2.gz RZBCUXOOPIFAKK-NYHFZMIOSA-N 1 3 324.490 2.015 20 0 DEADHO [NH3+]CC1(CC(=O)NCc2ccccc2CN2CCCCC2)CC1 ZINC000423311038 405755817 /nfs/dbraw/zinc/75/58/17/405755817.db2.gz OYFCPHQEPYRWBK-UHFFFAOYSA-N 1 3 315.461 2.418 20 0 DEADHO C[C@@H]1COCC[C@@H]1N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423364052 405777739 /nfs/dbraw/zinc/77/77/39/405777739.db2.gz JHRXXRUJYHCQGN-HQQPKKBNSA-N 1 3 310.388 2.425 20 0 DEADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000494948386 405786603 /nfs/dbraw/zinc/78/66/03/405786603.db2.gz BPBIXSKIKAJNLC-ZBFHGGJFSA-N 1 3 323.481 2.483 20 0 DEADHO CN(C(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)[C@H]1CCN(C2CC2)C1 ZINC000423392652 405787354 /nfs/dbraw/zinc/78/73/54/405787354.db2.gz XYCGVYQVKVYXQY-IRXDYDNUSA-N 1 3 315.461 2.408 20 0 DEADHO C[C@@H](CNC(=O)NCc1ccc(C[NH3+])cc1)N1CCC(C)CC1 ZINC000583932837 405791811 /nfs/dbraw/zinc/79/18/11/405791811.db2.gz MOPGMBLWUKSUNA-HNNXBMFYSA-N 1 3 318.465 2.065 20 0 DEADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+]CC2CCSCC2)C1 ZINC000638976765 405794207 /nfs/dbraw/zinc/79/42/07/405794207.db2.gz LFDNKJWMSRNTCR-GOSISDBHSA-N 1 3 320.502 2.486 20 0 DEADHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000423426648 405803958 /nfs/dbraw/zinc/80/39/58/405803958.db2.gz NERYPOKAFBXGOY-PVAVHDDUSA-N 1 3 315.461 2.408 20 0 DEADHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000423426648 405803961 /nfs/dbraw/zinc/80/39/61/405803961.db2.gz NERYPOKAFBXGOY-PVAVHDDUSA-N 1 3 315.461 2.408 20 0 DEADHO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H](N)C3CCC3)cc21 ZINC000423434325 405804786 /nfs/dbraw/zinc/80/47/86/405804786.db2.gz XRNYMOUQFBRFNK-QGZVFWFLSA-N 1 3 314.433 2.269 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000639001921 405812276 /nfs/dbraw/zinc/81/22/76/405812276.db2.gz RJHHLCSHKJEJBZ-MSOLQXFVSA-N 1 3 315.461 2.075 20 0 DEADHO C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccccc1F ZINC000423458852 405812464 /nfs/dbraw/zinc/81/24/64/405812464.db2.gz QKVPFUMPXCWUAY-NJAPINKUSA-N 1 3 319.424 2.123 20 0 DEADHO CC(C)[C@@H](COCc1ccccc1)[NH2+]C[C@H]1CNCCCO1 ZINC000423495773 405826829 /nfs/dbraw/zinc/82/68/29/405826829.db2.gz VLPONVFIDICBON-QZTJIDSGSA-N 1 3 306.450 2.196 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000423614607 405877826 /nfs/dbraw/zinc/87/78/26/405877826.db2.gz QHAHDWDYVMQSDA-MRXNPFEDSA-N 1 3 303.450 2.256 20 0 DEADHO CCCc1ccc2nccc(NC[C@](C)(O)C[NH+](C)C)c2c1 ZINC000450408757 405881414 /nfs/dbraw/zinc/88/14/14/405881414.db2.gz TXCPHWHRWVSWGH-SFHVURJKSA-N 1 3 301.434 2.334 20 0 DEADHO O=c1ccc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c[nH]1 ZINC000639119111 405896569 /nfs/dbraw/zinc/89/65/69/405896569.db2.gz IFXZCYTXYIEKBH-HDICACEKSA-N 1 3 309.413 2.351 20 0 DEADHO O=c1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c[nH]1 ZINC000639119111 405896576 /nfs/dbraw/zinc/89/65/76/405896576.db2.gz IFXZCYTXYIEKBH-HDICACEKSA-N 1 3 309.413 2.351 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639043260 405840026 /nfs/dbraw/zinc/84/00/26/405840026.db2.gz SOZUXGDAGPRMTI-JOCQHMNTSA-N 1 3 315.417 2.494 20 0 DEADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000633795124 405841913 /nfs/dbraw/zinc/84/19/13/405841913.db2.gz CVECZVNZZZSKBQ-SJLPKXTDSA-N 1 3 317.477 2.213 20 0 DEADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000633795124 405841921 /nfs/dbraw/zinc/84/19/21/405841921.db2.gz CVECZVNZZZSKBQ-SJLPKXTDSA-N 1 3 317.477 2.213 20 0 DEADHO C[N@@H+]1CCC[C@H](CCNC(=O)NCCN2CCCC(C)(C)C2)C1 ZINC000459323914 405854625 /nfs/dbraw/zinc/85/46/25/405854625.db2.gz UXBPOURDIUMZJZ-MRXNPFEDSA-N 1 3 324.513 2.140 20 0 DEADHO C[N@H+]1CCC[C@H](CCNC(=O)NCCN2CCCC(C)(C)C2)C1 ZINC000459323914 405854635 /nfs/dbraw/zinc/85/46/35/405854635.db2.gz UXBPOURDIUMZJZ-MRXNPFEDSA-N 1 3 324.513 2.140 20 0 DEADHO C[NH+]1CCC(CCNC(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000584339460 405859526 /nfs/dbraw/zinc/85/95/26/405859526.db2.gz QSUQQCRFPVIWCF-UHFFFAOYSA-N 1 3 316.449 2.186 20 0 DEADHO Cn1cncc1CCN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000459496064 405928758 /nfs/dbraw/zinc/92/87/58/405928758.db2.gz GELUKPPUYPJYBM-RTBURBONSA-N 1 3 324.472 2.417 20 0 DEADHO Cn1cncc1CCN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000459496064 405928765 /nfs/dbraw/zinc/92/87/65/405928765.db2.gz GELUKPPUYPJYBM-RTBURBONSA-N 1 3 324.472 2.417 20 0 DEADHO CO[C@H](C[NH+]1CCC(CN2CCN(C)CC2)CC1)C1CCCC1 ZINC000639169347 405941852 /nfs/dbraw/zinc/94/18/52/405941852.db2.gz CXYIUWLEZZHURT-LJQANCHMSA-N 1 3 323.525 2.151 20 0 DEADHO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000423744842 405941973 /nfs/dbraw/zinc/94/19/73/405941973.db2.gz LPOQIRHZZVKSMX-DLBZAZTESA-N 1 3 317.477 2.137 20 0 DEADHO CC(C)N1CCC[C@@H](N2CCC(C[N@H+](C)C(C)C)CC2)C1=O ZINC000531381879 405950607 /nfs/dbraw/zinc/95/06/07/405950607.db2.gz UFENLVLJXSCCFI-QGZVFWFLSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)N1CCC[C@@H](N2CCC(C[N@@H+](C)C(C)C)CC2)C1=O ZINC000531381879 405950612 /nfs/dbraw/zinc/95/06/12/405950612.db2.gz UFENLVLJXSCCFI-QGZVFWFLSA-N 1 3 309.498 2.438 20 0 DEADHO CO[C@@H](CNCCC[N@@H+]1CCCO[C@H](C)C1)Cc1ccccc1 ZINC000639121236 405900182 /nfs/dbraw/zinc/90/01/82/405900182.db2.gz OBRXAHMVFRIMGZ-IEBWSBKVSA-N 1 3 320.477 2.335 20 0 DEADHO CO[C@@H](CNCCC[N@H+]1CCCO[C@H](C)C1)Cc1ccccc1 ZINC000639121236 405900187 /nfs/dbraw/zinc/90/01/87/405900187.db2.gz OBRXAHMVFRIMGZ-IEBWSBKVSA-N 1 3 320.477 2.335 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000423806414 405984155 /nfs/dbraw/zinc/98/41/55/405984155.db2.gz UKJZTENFNCSVGL-SJORKVTESA-N 1 3 321.440 2.105 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000423806414 405984161 /nfs/dbraw/zinc/98/41/61/405984161.db2.gz UKJZTENFNCSVGL-SJORKVTESA-N 1 3 321.440 2.105 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H]1CN1CCN(C2CCOCC2)C[C@@H]1C ZINC000450884724 405985169 /nfs/dbraw/zinc/98/51/69/405985169.db2.gz SSVDGGYKXHHEMN-HKUYNNGSSA-N 1 3 323.525 2.434 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H]1CN1CCN(C2CCOCC2)C[C@@H]1C ZINC000450884724 405985173 /nfs/dbraw/zinc/98/51/73/405985173.db2.gz SSVDGGYKXHHEMN-HKUYNNGSSA-N 1 3 323.525 2.434 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CNCc2ccccc21)[NH+]1CCC(C)CC1 ZINC000567608623 406103710 /nfs/dbraw/zinc/10/37/10/406103710.db2.gz GFEAGVKXWTZWLS-CRAIPNDOSA-N 1 3 315.461 2.110 20 0 DEADHO COc1ccc(NC(=O)C[C@@H](C)NCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000532530338 406083338 /nfs/dbraw/zinc/08/33/38/406083338.db2.gz ZTFANNKDBSZUBE-LSDHHAIUSA-N 1 3 319.449 2.344 20 0 DEADHO COc1ccc(NC(=O)C[C@@H](C)NCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000532530338 406083344 /nfs/dbraw/zinc/08/33/44/406083344.db2.gz ZTFANNKDBSZUBE-LSDHHAIUSA-N 1 3 319.449 2.344 20 0 DEADHO CC[C@]1(O)CCC[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000639384208 406074604 /nfs/dbraw/zinc/07/46/04/406074604.db2.gz DHBUCLLPOSRYGG-SFHVURJKSA-N 1 3 306.450 2.364 20 0 DEADHO CC[C@]1(O)CCC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000639384208 406074606 /nfs/dbraw/zinc/07/46/06/406074606.db2.gz DHBUCLLPOSRYGG-SFHVURJKSA-N 1 3 306.450 2.364 20 0 DEADHO FC(F)(F)CN1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000518513982 406142504 /nfs/dbraw/zinc/14/25/04/406142504.db2.gz BVZOYZKKBNCCFB-IGQOVBAYSA-N 1 3 305.388 2.133 20 0 DEADHO CN1CCC([NH+]2CCC(NC/C=C/c3ccncc3)CC2)CC1 ZINC000486937919 406191516 /nfs/dbraw/zinc/19/15/16/406191516.db2.gz IGOIRBRGMFGBCH-NSCUHMNNSA-N 1 3 314.477 2.243 20 0 DEADHO C[NH+](C)CCCOc1cnccc1CN[C@@H]1CCOC(C)(C)C1 ZINC000634684242 406224212 /nfs/dbraw/zinc/22/42/12/406224212.db2.gz LDXCDFSIXFTCSI-MRXNPFEDSA-N 1 3 321.465 2.459 20 0 DEADHO CC[N@@H+]1CC[C@@H](NCCn2ccc(C(F)(F)F)n2)[C@H](C)C1 ZINC000634687462 406225339 /nfs/dbraw/zinc/22/53/39/406225339.db2.gz LRFKEYSHYYQIGP-VXGBXAGGSA-N 1 3 304.360 2.222 20 0 DEADHO CC[N@H+]1CC[C@@H](NCCn2ccc(C(F)(F)F)n2)[C@H](C)C1 ZINC000634687462 406225343 /nfs/dbraw/zinc/22/53/43/406225343.db2.gz LRFKEYSHYYQIGP-VXGBXAGGSA-N 1 3 304.360 2.222 20 0 DEADHO C[NH+]1CCC2(CCN(Cc3ccc4c(c3)OCCO4)C2)CC1 ZINC000639758903 406238542 /nfs/dbraw/zinc/23/85/42/406238542.db2.gz ZFSKQRHSIIDUPN-UHFFFAOYSA-N 1 3 302.418 2.376 20 0 DEADHO C[NH+]1CCC2(CCN(CC(=O)NCC3CCCCC3)C2)CC1 ZINC000639762346 406239631 /nfs/dbraw/zinc/23/96/31/406239631.db2.gz KFSIFMQHAKPAPK-UHFFFAOYSA-N 1 3 307.482 2.101 20 0 DEADHO C[C@@H](C(=O)NCC1CCCCC1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639760664 406239922 /nfs/dbraw/zinc/23/99/22/406239922.db2.gz ZDEDILFKWXFENE-INIZCTEOSA-N 1 3 321.509 2.489 20 0 DEADHO CN1CCN(CCCC[NH2+]C2CCC3(CCCO3)CC2)CC1 ZINC000519756765 406247921 /nfs/dbraw/zinc/24/79/21/406247921.db2.gz JAGVRYVLXCQKDM-UHFFFAOYSA-N 1 3 309.498 2.095 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)N(CCN2CCCCCC2)C2CCC2)C1 ZINC000569879683 406315111 /nfs/dbraw/zinc/31/51/11/406315111.db2.gz CZUFXWPUBRFJLK-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)N(CCN2CCCCCC2)C2CCC2)C1 ZINC000569879683 406315114 /nfs/dbraw/zinc/31/51/14/406315114.db2.gz CZUFXWPUBRFJLK-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@H](C3CCC3)CC2)CC1 ZINC000640106850 406395424 /nfs/dbraw/zinc/39/54/24/406395424.db2.gz UQDNHYXROQOFDD-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO C[NH+](C)CC[C@@H](NC(=O)[C@@H]1CNCc2ccccc21)C(C)(C)C ZINC000570573161 406411160 /nfs/dbraw/zinc/41/11/60/406411160.db2.gz HWBJRSNBFXCVFN-IAGOWNOFSA-N 1 3 317.477 2.356 20 0 DEADHO CC[NH2+]CCCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000570278214 406371775 /nfs/dbraw/zinc/37/17/75/406371775.db2.gz RFJAWMLWJFDILG-MRXNPFEDSA-N 1 3 321.440 2.154 20 0 DEADHO CN(C)Cc1cccc(CNC(=O)C23CCC[NH+](CCC2)C3)c1 ZINC000635197799 406457319 /nfs/dbraw/zinc/45/73/19/406457319.db2.gz DHLZNOKGHUDUJR-UHFFFAOYSA-N 1 3 315.461 2.240 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)[NH+](C)C ZINC000571804142 406568484 /nfs/dbraw/zinc/56/84/84/406568484.db2.gz IXZYXAJGZVZQDV-MSOLQXFVSA-N 1 3 317.477 2.306 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NCC1CC[NH+](CC)CC1 ZINC000571591458 406540008 /nfs/dbraw/zinc/54/00/08/406540008.db2.gz WOCZUQMOHTZBJI-UHFFFAOYSA-N 1 3 324.513 2.236 20 0 DEADHO CC[NH+]1CCC(n2nccc2NC(=O)[C@H](N)CCC(C)C)CC1 ZINC000638056049 406547267 /nfs/dbraw/zinc/54/72/67/406547267.db2.gz VWVNQGVKDHMYOS-OAHLLOKOSA-N 1 3 321.469 2.242 20 0 DEADHO CC1CCN([C@@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2)c2cccs2)CC1 ZINC000572042751 406598554 /nfs/dbraw/zinc/59/85/54/406598554.db2.gz BNBJTSREDWOLJW-ZNMIVQPWSA-N 1 3 321.490 2.375 20 0 DEADHO C[C@H]1CCN(C)CCN1C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000572132944 406611310 /nfs/dbraw/zinc/61/13/10/406611310.db2.gz SHSBUCSDBHWVJK-FUHWJXTLSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@H]1CCN(C)CCN1C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000572132944 406611314 /nfs/dbraw/zinc/61/13/14/406611314.db2.gz SHSBUCSDBHWVJK-FUHWJXTLSA-N 1 3 315.461 2.061 20 0 DEADHO C[NH+](C)CC1(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1 ZINC000638207134 406623403 /nfs/dbraw/zinc/62/34/03/406623403.db2.gz YDBFVPOMMNRSKR-KRWDZBQOSA-N 1 3 311.429 2.298 20 0 DEADHO O=C([C@@H]1CCN1C1CCCC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000635612542 406623810 /nfs/dbraw/zinc/62/38/10/406623810.db2.gz IPGFSNCIEFOOQC-WMZOPIPTSA-N 1 3 319.493 2.338 20 0 DEADHO CCN(CC)[C@H](CNC(=O)/C=C/C[NH+](C)C)c1ccsc1 ZINC000491624294 406637052 /nfs/dbraw/zinc/63/70/52/406637052.db2.gz BHIWKJYJOHGLCX-MVGZEHJDSA-N 1 3 309.479 2.365 20 0 DEADHO CC[NH2+][C@H](C)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000638114087 406575653 /nfs/dbraw/zinc/57/56/53/406575653.db2.gz XBMBRBUYFVRYIA-JZXOWHBKSA-N 1 3 317.477 2.496 20 0 DEADHO CN1CCC[C@H](CNC(=O)C2=CC[C@H]([NH3+])C2)[C@@H]1c1cccs1 ZINC000638123473 406582504 /nfs/dbraw/zinc/58/25/04/406582504.db2.gz ORFCSJUILFVMAY-IJEWVQPXSA-N 1 3 319.474 2.295 20 0 DEADHO CC[NH2+][C@@H](C)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000638278129 406666395 /nfs/dbraw/zinc/66/63/95/406666395.db2.gz XMKSOUYLTXKJDU-ZDUSSCGKSA-N 1 3 311.857 2.228 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCCNC(=O)NC(C)C ZINC000645860718 406670169 /nfs/dbraw/zinc/67/01/69/406670169.db2.gz HXKDALPQDAKAOY-JKSUJKDBSA-N 1 3 312.502 2.184 20 0 DEADHO Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000572511742 406684430 /nfs/dbraw/zinc/68/44/30/406684430.db2.gz NTQUXFUOIJNLHG-IXDOHACOSA-N 1 3 306.450 2.197 20 0 DEADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000527745756 406735477 /nfs/dbraw/zinc/73/54/77/406735477.db2.gz OAUPPVCXKXCXHX-DLBZAZTESA-N 1 3 322.497 2.177 20 0 DEADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000527745756 406735478 /nfs/dbraw/zinc/73/54/78/406735478.db2.gz OAUPPVCXKXCXHX-DLBZAZTESA-N 1 3 322.497 2.177 20 0 DEADHO CC[NH+](CC)Cc1ccccc1CNC(=O)/C=C\CN(C)C ZINC000491891527 406767547 /nfs/dbraw/zinc/76/75/47/406767547.db2.gz ZMEWHQWVDGFYBL-XFXZXTDPSA-N 1 3 303.450 2.262 20 0 DEADHO C[C@@H]1CCCC[C@@H]1OCCNC1CC[NH+](CC(C)(C)O)CC1 ZINC000638366683 406727893 /nfs/dbraw/zinc/72/78/93/406727893.db2.gz KFSHFFVZRNXMJD-WBVHZDCISA-N 1 3 312.498 2.407 20 0 DEADHO CCC[C@@H](C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)OC ZINC000638367627 406729435 /nfs/dbraw/zinc/72/94/35/406729435.db2.gz QEEUCNHSMSSQHT-IBGZPJMESA-N 1 3 319.493 2.339 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2[NH2+]CC2(C)C)CCN1Cc1ccccc1 ZINC000646176400 406808882 /nfs/dbraw/zinc/80/88/82/406808882.db2.gz ULIVBOHANLYHAR-OIISXLGYSA-N 1 3 315.461 2.154 20 0 DEADHO CC(C)([NH3+])CC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000646408752 406859002 /nfs/dbraw/zinc/85/90/02/406859002.db2.gz FVSRGCGFOWBJNK-MRXNPFEDSA-N 1 3 303.450 2.457 20 0 DEADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)C1CC[NH2+]CC1 ZINC000646408968 406859061 /nfs/dbraw/zinc/85/90/61/406859061.db2.gz VMMRSICJBNAXRJ-SFHVURJKSA-N 1 3 315.461 2.329 20 0 DEADHO CC[NH+]1CCC(CCNCc2ccnn2-c2ccccn2)CC1 ZINC000647187659 406968099 /nfs/dbraw/zinc/96/80/99/406968099.db2.gz SURUUJZZPXLVOU-UHFFFAOYSA-N 1 3 313.449 2.479 20 0 DEADHO CCN1CCC([N@@H+]2CCCN(Cc3oc(C)nc3C)CC2)CC1 ZINC000643255235 406969550 /nfs/dbraw/zinc/96/95/50/406969550.db2.gz VLPIXPFDEUKEED-UHFFFAOYSA-N 1 3 320.481 2.283 20 0 DEADHO CCN1CCC([N@H+]2CCCN(Cc3oc(C)nc3C)CC2)CC1 ZINC000643255235 406969552 /nfs/dbraw/zinc/96/95/52/406969552.db2.gz VLPIXPFDEUKEED-UHFFFAOYSA-N 1 3 320.481 2.283 20 0 DEADHO CO[C@@H](CC(C)C)CN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000642699168 406932402 /nfs/dbraw/zinc/93/24/02/406932402.db2.gz YVAGXYKODRDQNN-ROUUACIJSA-N 1 3 311.514 2.148 20 0 DEADHO CO[C@@H](CC(C)C)CN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000642699168 406932404 /nfs/dbraw/zinc/93/24/04/406932404.db2.gz YVAGXYKODRDQNN-ROUUACIJSA-N 1 3 311.514 2.148 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCCC1CC1 ZINC000643187403 406958890 /nfs/dbraw/zinc/95/88/90/406958890.db2.gz NKBZXJDGBMTIBL-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCCC1CC1 ZINC000643187403 406958892 /nfs/dbraw/zinc/95/88/92/406958892.db2.gz NKBZXJDGBMTIBL-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(C(=O)NC4CC4)cc3)C[C@H]21 ZINC000647511430 407010252 /nfs/dbraw/zinc/01/02/52/407010252.db2.gz LWTGIXGKPAFLAR-CGTJXYLNSA-N 1 3 313.445 2.138 20 0 DEADHO CC[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1nnc2n1CCCCC2 ZINC000647790396 407051328 /nfs/dbraw/zinc/05/13/28/407051328.db2.gz XOFKZZBIAYMCPX-QXSJWSMHSA-N 1 3 317.481 2.433 20 0 DEADHO CCC(C)(C)NC(=O)[C@H](C)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976153 407091279 /nfs/dbraw/zinc/09/12/79/407091279.db2.gz KWOLLOIGUGGVQB-XHSDSOJGSA-N 1 3 309.498 2.391 20 0 DEADHO CN(C(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000647975209 407091476 /nfs/dbraw/zinc/09/14/76/407091476.db2.gz QIAPGHKPFUUZOP-SJORKVTESA-N 1 3 315.461 2.361 20 0 DEADHO C[C@H](C(=O)NC1CCCC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976430 407091566 /nfs/dbraw/zinc/09/15/66/407091566.db2.gz OKCYELKJXISNOW-BZUAXINKSA-N 1 3 307.482 2.145 20 0 DEADHO O=C(CCN(C1CC1)C1CC[NH2+]CC1)Nc1ccccc1F ZINC000647814221 407055639 /nfs/dbraw/zinc/05/56/39/407055639.db2.gz DGERXQORPONIPC-UHFFFAOYSA-N 1 3 305.397 2.371 20 0 DEADHO O=C(CC[N@H+](C1CC1)C1CCNCC1)Nc1ccccc1F ZINC000647814221 407055642 /nfs/dbraw/zinc/05/56/42/407055642.db2.gz DGERXQORPONIPC-UHFFFAOYSA-N 1 3 305.397 2.371 20 0 DEADHO O=C(CC[N@@H+](C1CC1)C1CCNCC1)Nc1ccccc1F ZINC000647814221 407055645 /nfs/dbraw/zinc/05/56/45/407055645.db2.gz DGERXQORPONIPC-UHFFFAOYSA-N 1 3 305.397 2.371 20 0 DEADHO CN(CCCC1CC[NH2+]CC1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000647888182 407068047 /nfs/dbraw/zinc/06/80/47/407068047.db2.gz XIPXSOSZQFQSPJ-HZPDHXFCSA-N 1 3 316.511 2.054 20 0 DEADHO CC(C)N(C)C[C@H](O)C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000647967681 407088476 /nfs/dbraw/zinc/08/84/76/407088476.db2.gz VDAXKWUFTACQED-SFHVURJKSA-N 1 3 306.450 2.273 20 0 DEADHO Cc1cc(CN(C)C)cc(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000648158262 407128264 /nfs/dbraw/zinc/12/82/64/407128264.db2.gz REFHHRSONVBGEK-AWEZNQCLSA-N 1 3 311.376 2.240 20 0 DEADHO CCCN(C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C)[C@H]1CCN(C)C1 ZINC000645162228 407240207 /nfs/dbraw/zinc/24/02/07/407240207.db2.gz HOELNRPDGRWSCE-IKGGRYGDSA-N 1 3 324.513 2.375 20 0 DEADHO CCCN(C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C)[C@H]1CCN(C)C1 ZINC000645162228 407240209 /nfs/dbraw/zinc/24/02/09/407240209.db2.gz HOELNRPDGRWSCE-IKGGRYGDSA-N 1 3 324.513 2.375 20 0 DEADHO CCCN(C(=O)NC[C@H](C)C[NH+]1CCCCC1)[C@@H]1CCN(C)C1 ZINC000645195961 407245023 /nfs/dbraw/zinc/24/50/23/407245023.db2.gz CCNFQOUUIAMUSJ-DLBZAZTESA-N 1 3 324.513 2.234 20 0 DEADHO CCCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[C@@H]1CCN(C)C1 ZINC000645354209 407267929 /nfs/dbraw/zinc/26/79/29/407267929.db2.gz QDEQAQLLPKDIKW-HUUCEWRRSA-N 1 3 312.502 2.088 20 0 DEADHO CC1(C)CN[C@H]1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000645653384 407295984 /nfs/dbraw/zinc/29/59/84/407295984.db2.gz NCCDKQTVZXOJAD-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO CC1(C)CN[C@H]1C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000645653384 407295985 /nfs/dbraw/zinc/29/59/85/407295985.db2.gz NCCDKQTVZXOJAD-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@@H]2CC[C@H](C(N)=O)C2)CC1 ZINC000449746326 287311404 /nfs/dbraw/zinc/31/14/04/287311404.db2.gz RHYHBXVRFKIMFD-YALNPMBYSA-N 1 3 307.482 2.273 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000423762972 287320595 /nfs/dbraw/zinc/32/05/95/287320595.db2.gz QQALNMNLOCWTCJ-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000433567868 287351939 /nfs/dbraw/zinc/35/19/39/287351939.db2.gz ISTHCBLSJKCXKK-NVXWUHKLSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000433567868 287351940 /nfs/dbraw/zinc/35/19/40/287351940.db2.gz ISTHCBLSJKCXKK-NVXWUHKLSA-N 1 3 322.497 2.034 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000415564638 228702260 /nfs/dbraw/zinc/70/22/60/228702260.db2.gz HXFICHLSOHLXKH-WBVHZDCISA-N 1 3 318.465 2.430 20 0 DEADHO C[C@H]1[C@H](NC(=O)N(CCC[NH3+])CC2CCCC2)CCCN1C ZINC000417994998 229178452 /nfs/dbraw/zinc/17/84/52/229178452.db2.gz CSYIJABLKKTZCK-GOEBONIOSA-N 1 3 310.486 2.020 20 0 DEADHO C[C@@H](NC(=O)N1C[C@@H](C)NC[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417997589 229179239 /nfs/dbraw/zinc/17/92/39/229179239.db2.gz SDQVBBKSDLQBDW-FPCVCCKLSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@@H](NC(=O)N1C[C@@H](C)NC[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000417997589 229179241 /nfs/dbraw/zinc/17/92/41/229179241.db2.gz SDQVBBKSDLQBDW-FPCVCCKLSA-N 1 3 322.497 2.031 20 0 DEADHO C[NH+](C)CC1(CNC(=O)NC[C@@H](N)c2ccccc2)CCCC1 ZINC000418034536 229194903 /nfs/dbraw/zinc/19/49/03/229194903.db2.gz XDQGLZSXSDHDFZ-MRXNPFEDSA-N 1 3 318.465 2.108 20 0 DEADHO O=C(c1ccsc1)N1CCCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420321718 229652229 /nfs/dbraw/zinc/65/22/29/229652229.db2.gz RLZFVPTUOGLUQY-OAHLLOKOSA-N 1 3 321.490 2.286 20 0 DEADHO CON1CCC([NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)CC1 ZINC000421879022 230013998 /nfs/dbraw/zinc/01/39/98/230013998.db2.gz OFZBCPITYUXZII-HNNXBMFYSA-N 1 3 321.465 2.303 20 0 DEADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCCCOCCc1ccccc1 ZINC000422721479 230177262 /nfs/dbraw/zinc/17/72/62/230177262.db2.gz NZRAYGVFMRKQHI-UHOSZYNNSA-N 1 3 320.477 2.368 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(OC(F)F)cc1 ZINC000422758921 230193282 /nfs/dbraw/zinc/19/32/82/230193282.db2.gz JQVAYMPGSDCKHC-ZLKJLUDKSA-N 1 3 300.349 2.130 20 0 DEADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Oc1ccc(F)cc1 ZINC000422783412 230206388 /nfs/dbraw/zinc/20/63/88/230206388.db2.gz HITMQRNJIUYXJK-BNEJOLLZSA-N 1 3 322.424 2.340 20 0 DEADHO Cc1ccc2c(CC[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)N)c[nH]c2c1 ZINC000422847711 230240642 /nfs/dbraw/zinc/24/06/42/230240642.db2.gz RWQUVINXPXGAKE-IAOVAPTHSA-N 1 3 301.434 2.361 20 0 DEADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000422847189 230240658 /nfs/dbraw/zinc/24/06/58/230240658.db2.gz HPOXUEPMTMWQOX-ZWKOTPCHSA-N 1 3 323.525 2.247 20 0 DEADHO O=C(NCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1)C1CCC1 ZINC000422922498 230278886 /nfs/dbraw/zinc/27/88/86/230278886.db2.gz SXXJXTDRVAKXCG-IXDOHACOSA-N 1 3 307.482 2.193 20 0 DEADHO O=C(NCCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C1CCC1 ZINC000422922498 230278893 /nfs/dbraw/zinc/27/88/93/230278893.db2.gz SXXJXTDRVAKXCG-IXDOHACOSA-N 1 3 307.482 2.193 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2CNC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000422936190 230284741 /nfs/dbraw/zinc/28/47/41/230284741.db2.gz FCZQPVQSMOIWBD-IYBDPMFKSA-N 1 3 317.477 2.137 20 0 DEADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1cccc(CN2CCCC2=O)c1 ZINC000422956098 230293131 /nfs/dbraw/zinc/29/31/31/230293131.db2.gz KOKRZZJXVNDKIK-SJORKVTESA-N 1 3 301.434 2.026 20 0 DEADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000422955876 230293891 /nfs/dbraw/zinc/29/38/91/230293891.db2.gz KCZRFSJESWYLBT-IAGOWNOFSA-N 1 3 315.461 2.463 20 0 DEADHO Fc1cccc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1F ZINC000422957637 230294431 /nfs/dbraw/zinc/29/44/31/230294431.db2.gz NUELONXRZGIDKE-VNQPRFMTSA-N 1 3 310.388 2.254 20 0 DEADHO COC[C@H](CCC[NH3+])N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000423016801 230318370 /nfs/dbraw/zinc/31/83/70/230318370.db2.gz NHMFWZIOZMPZSF-MAZHCROVSA-N 1 3 314.376 2.138 20 0 DEADHO C[C@@H](CCC[NH3+])N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000423039605 230327002 /nfs/dbraw/zinc/32/70/02/230327002.db2.gz FRRKXFKKNAXORO-IINYFYTJSA-N 1 3 313.804 2.301 20 0 DEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000423073028 230336307 /nfs/dbraw/zinc/33/63/07/230336307.db2.gz ICTWIVUOUJUMTM-XOYOTBSWSA-N 1 3 306.425 2.399 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000423073028 230336312 /nfs/dbraw/zinc/33/63/12/230336312.db2.gz ICTWIVUOUJUMTM-XOYOTBSWSA-N 1 3 306.425 2.399 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@](C)(CO)c1ccccc1 ZINC000423105368 230352660 /nfs/dbraw/zinc/35/26/60/230352660.db2.gz IHMORSOKTRBOOR-IFXJQAMLSA-N 1 3 313.445 2.450 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@](C)(CO)c1ccccc1 ZINC000423105370 230352711 /nfs/dbraw/zinc/35/27/11/230352711.db2.gz IHMORSOKTRBOOR-LIRRHRJNSA-N 1 3 313.445 2.450 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN(C2CC2)C2CCCCC2)CC1 ZINC000047904352 424829112 /nfs/dbraw/zinc/82/91/12/424829112.db2.gz DFOCNMLAEPNQRW-UHFFFAOYSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@@H]1[C@H](O)CCN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648800547 424909404 /nfs/dbraw/zinc/90/94/04/424909404.db2.gz GWXRHMYACJJKFV-CRAIPNDOSA-N 1 3 304.434 2.116 20 0 DEADHO C[C@@](O)(C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)C(F)(F)F ZINC000309852983 424893608 /nfs/dbraw/zinc/89/36/08/424893608.db2.gz KGSFAEQIWKXKAV-LSDHHAIUSA-N 1 3 316.367 2.411 20 0 DEADHO CC(C)[NH2+]CCC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000309922184 424893854 /nfs/dbraw/zinc/89/38/54/424893854.db2.gz WIBOKAWEKVPJEN-GOSISDBHSA-N 1 3 317.477 2.403 20 0 DEADHO Cc1cccc(CN(CCN(C)C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000648768180 424903767 /nfs/dbraw/zinc/90/37/67/424903767.db2.gz URTRPTAJKKYIPH-SJLPKXTDSA-N 1 3 317.477 2.225 20 0 DEADHO Cc1cccc(CN(CCN(C)C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000648768180 424903768 /nfs/dbraw/zinc/90/37/68/424903768.db2.gz URTRPTAJKKYIPH-SJLPKXTDSA-N 1 3 317.477 2.225 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2NCC2(C)C)CC1 ZINC000649378646 425005193 /nfs/dbraw/zinc/00/51/93/425005193.db2.gz QMSLYOPPIVSUBV-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2NCC2(C)C)CC1 ZINC000649378646 425005194 /nfs/dbraw/zinc/00/51/94/425005194.db2.gz QMSLYOPPIVSUBV-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO C[N@@H+](Cc1ccccc1)CC1CCN(C[C@@H]2CCC(=O)N2)CC1 ZINC000649506373 425030264 /nfs/dbraw/zinc/03/02/64/425030264.db2.gz LZYUOFCBJNELLM-SFHVURJKSA-N 1 3 315.461 2.109 20 0 DEADHO C[N@H+](Cc1ccccc1)CC1CCN(C[C@@H]2CCC(=O)N2)CC1 ZINC000649506373 425030265 /nfs/dbraw/zinc/03/02/65/425030265.db2.gz LZYUOFCBJNELLM-SFHVURJKSA-N 1 3 315.461 2.109 20 0 DEADHO Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)ccc1-n1cncn1 ZINC000650709340 425039179 /nfs/dbraw/zinc/03/91/79/425039179.db2.gz SUCNEKXVNGLDQB-WMZOPIPTSA-N 1 3 311.433 2.137 20 0 DEADHO Cc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)ccc1-n1cncn1 ZINC000650709340 425039181 /nfs/dbraw/zinc/03/91/81/425039181.db2.gz SUCNEKXVNGLDQB-WMZOPIPTSA-N 1 3 311.433 2.137 20 0 DEADHO Cc1cc(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1-n1cncn1 ZINC000650709340 425039183 /nfs/dbraw/zinc/03/91/83/425039183.db2.gz SUCNEKXVNGLDQB-WMZOPIPTSA-N 1 3 311.433 2.137 20 0 DEADHO CCc1ncc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000650707780 425039981 /nfs/dbraw/zinc/03/99/81/425039981.db2.gz MXTGTOVDFZCPSF-YDHLFZDLSA-N 1 3 309.479 2.424 20 0 DEADHO COc1cccc(C[C@@H](C)NCc2ccc(C[NH3+])cc2F)n1 ZINC000650717435 425041272 /nfs/dbraw/zinc/04/12/72/425041272.db2.gz AIZBRMJQALRJLB-GFCCVEGCSA-N 1 3 303.381 2.409 20 0 DEADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2ccc3c(c2)CCO3)C1 ZINC000650722071 425042211 /nfs/dbraw/zinc/04/22/11/425042211.db2.gz JYVRUMOABLQGFL-ZHALLVOQSA-N 1 3 316.445 2.482 20 0 DEADHO CCOc1cccc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)n1 ZINC000650724090 425043171 /nfs/dbraw/zinc/04/31/71/425043171.db2.gz YEVHXHJSVQYTQK-OIISXLGYSA-N 1 3 319.449 2.341 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000650759164 425049157 /nfs/dbraw/zinc/04/91/57/425049157.db2.gz FIVPDUDAODFXBG-OWIUFQIYSA-N 1 3 303.450 2.145 20 0 DEADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N(C)CCN1CCCCC1 ZINC000650857429 425068339 /nfs/dbraw/zinc/06/83/39/425068339.db2.gz YGCHAOMIWBKXOI-CALCHBBNSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N(C)CCN1CCCCC1 ZINC000650857429 425068344 /nfs/dbraw/zinc/06/83/44/425068344.db2.gz YGCHAOMIWBKXOI-CALCHBBNSA-N 1 3 324.513 2.377 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(C)CCN1CCCCC1 ZINC000650892335 425073523 /nfs/dbraw/zinc/07/35/23/425073523.db2.gz KYFXCRSOBKWGPY-KRWDZBQOSA-N 1 3 324.513 2.378 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N(C)CCN1CCCCC1 ZINC000650892335 425073526 /nfs/dbraw/zinc/07/35/26/425073526.db2.gz KYFXCRSOBKWGPY-KRWDZBQOSA-N 1 3 324.513 2.378 20 0 DEADHO C[C@@H](CCNC(=O)N(C)CCN1CCCCC1)[NH+]1CCCCC1 ZINC000651026854 425090539 /nfs/dbraw/zinc/09/05/39/425090539.db2.gz NFYOMYQSYVECDX-KRWDZBQOSA-N 1 3 324.513 2.378 20 0 DEADHO CN(CCN1CCCCC1)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000651031262 425091380 /nfs/dbraw/zinc/09/13/80/425091380.db2.gz OGVOMFNOIGSCCE-UHFFFAOYSA-N 1 3 324.513 2.236 20 0 DEADHO [NH3+]CCCN(Cc1nc2c(s1)CNCC2)CC1CCCC1 ZINC000663494104 425172788 /nfs/dbraw/zinc/17/27/88/425172788.db2.gz MHBIKZCRIURISF-UHFFFAOYSA-N 1 3 308.495 2.130 20 0 DEADHO CCCN(C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1)[C@@H]1CCN(C)C1 ZINC000666753360 425175957 /nfs/dbraw/zinc/17/59/57/425175957.db2.gz USYVRWUSQRGETP-DLBZAZTESA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H](CCNC(=O)Nc1ccccc1CCN(C)C)[NH+](C)C ZINC000666838915 425194652 /nfs/dbraw/zinc/19/46/52/425194652.db2.gz JJFMSISKQRWAQL-CQSZACIVSA-N 1 3 306.454 2.252 20 0 DEADHO CC(C)[NH+]1CCC(O)(CNCc2cc3cnccc3o2)CC1 ZINC000651732060 425145006 /nfs/dbraw/zinc/14/50/06/425145006.db2.gz HSVNJOWROTZWCM-UHFFFAOYSA-N 1 3 303.406 2.153 20 0 DEADHO COc1cc2nccc(N[C@H]3CC[N@@H+](C4CC4)C3)c2cc1OC ZINC000663450397 425160880 /nfs/dbraw/zinc/16/08/80/425160880.db2.gz YNOMAEXJZCVILU-LBPRGKRZSA-N 1 3 313.401 2.323 20 0 DEADHO COc1cc2nccc(N[C@H]3CC[N@H+](C4CC4)C3)c2cc1OC ZINC000663450397 425160886 /nfs/dbraw/zinc/16/08/86/425160886.db2.gz YNOMAEXJZCVILU-LBPRGKRZSA-N 1 3 313.401 2.323 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCC[C@H](C)C1 ZINC000663703878 425216809 /nfs/dbraw/zinc/21/68/09/425216809.db2.gz JXYOPPROEDRAAQ-JYJNAYRXSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCC[C@H](C)C1 ZINC000663703878 425216813 /nfs/dbraw/zinc/21/68/13/425216813.db2.gz JXYOPPROEDRAAQ-JYJNAYRXSA-N 1 3 312.502 2.136 20 0 DEADHO CC[N@H+](CCCNC(=O)N1C[C@@H](C)NC[C@H]1C)C1CCCCC1 ZINC000652227917 425218396 /nfs/dbraw/zinc/21/83/96/425218396.db2.gz RDSWASWKWDZQAB-HZPDHXFCSA-N 1 3 324.513 2.423 20 0 DEADHO CC[N@@H+](CCCNC(=O)N1C[C@@H](C)NC[C@H]1C)C1CCCCC1 ZINC000652227917 425218399 /nfs/dbraw/zinc/21/83/99/425218399.db2.gz RDSWASWKWDZQAB-HZPDHXFCSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]Cc2c(C3CC3)cnn2C)C[C@@H](C)O1 ZINC000657366464 425317892 /nfs/dbraw/zinc/31/78/92/425317892.db2.gz HEGBKWLKWMCPSI-HUUCEWRRSA-N 1 3 320.481 2.277 20 0 DEADHO Cn1ncc(C(F)(F)F)c1CNCC1(C)CC[NH+](C)CC1 ZINC000657431626 425331808 /nfs/dbraw/zinc/33/18/08/425331808.db2.gz ZPJWIMBDACDTIB-UHFFFAOYSA-N 1 3 304.360 2.260 20 0 DEADHO O=C(NCCC[NH+]1CCCCC1)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654355900 425332545 /nfs/dbraw/zinc/33/25/45/425332545.db2.gz GQOKYOHMIVFZCN-IRXDYDNUSA-N 1 3 322.497 2.179 20 0 DEADHO CCN(C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C)[C@H]1CCN(CC)C1 ZINC000664031646 425292356 /nfs/dbraw/zinc/29/23/56/425292356.db2.gz GVXCAAVPTLZYIM-ULQDDVLXSA-N 1 3 324.513 2.375 20 0 DEADHO Cc1cc(C[NH3+])cc(NC(=O)N(C)CCN2CCCCC2)c1 ZINC000652612021 425303145 /nfs/dbraw/zinc/30/31/45/425303145.db2.gz FDHHRCDUEKGADO-UHFFFAOYSA-N 1 3 304.438 2.403 20 0 DEADHO Cc1nccn1C[C@@H](C)C[NH2+]Cc1ccnn1-c1ccncc1 ZINC000657347271 425311620 /nfs/dbraw/zinc/31/16/20/425311620.db2.gz PTGJGDRQODDTOY-AWEZNQCLSA-N 1 3 310.405 2.198 20 0 DEADHO C[N@H+](CCNC(=O)N[C@H]1CCCN2CCCC[C@@H]12)C1CCCC1 ZINC000654430044 425351203 /nfs/dbraw/zinc/35/12/03/425351203.db2.gz CPAJLCLUMXCJAJ-IRXDYDNUSA-N 1 3 322.497 2.177 20 0 DEADHO C[N@@H+](CCNC(=O)N[C@H]1CCCN2CCCC[C@@H]12)C1CCCC1 ZINC000654430044 425351206 /nfs/dbraw/zinc/35/12/06/425351206.db2.gz CPAJLCLUMXCJAJ-IRXDYDNUSA-N 1 3 322.497 2.177 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)cc1 ZINC000657703200 425388519 /nfs/dbraw/zinc/38/85/19/425388519.db2.gz LZVXVMAIAAPHRK-SJORKVTESA-N 1 3 304.434 2.020 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCN2C(C)(C)C)C1 ZINC000661399485 425397460 /nfs/dbraw/zinc/39/74/60/425397460.db2.gz JLTMRBQMGRVVHH-HOTGVXAUSA-N 1 3 324.513 2.233 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCN2C(C)(C)C)C1 ZINC000661399485 425397471 /nfs/dbraw/zinc/39/74/71/425397471.db2.gz JLTMRBQMGRVVHH-HOTGVXAUSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000653119634 425411223 /nfs/dbraw/zinc/41/12/23/425411223.db2.gz QKRVWJLVIXZLSB-DOTOQJQBSA-N 1 3 303.450 2.013 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654567465 425383821 /nfs/dbraw/zinc/38/38/21/425383821.db2.gz LPZOQPIUAAGRHZ-BZUAXINKSA-N 1 3 310.486 2.031 20 0 DEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654567465 425383823 /nfs/dbraw/zinc/38/38/23/425383823.db2.gz LPZOQPIUAAGRHZ-BZUAXINKSA-N 1 3 310.486 2.031 20 0 DEADHO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2COC3(CCC3)C2)CC1 ZINC000657929084 425418987 /nfs/dbraw/zinc/41/89/87/425418987.db2.gz QLFKHBXVFAXKMJ-YESZJQIVSA-N 1 3 308.466 2.056 20 0 DEADHO CC[N@H+](CCCNC(=O)C(N)C(F)(F)F)C1CCCCC1 ZINC000653200985 425433215 /nfs/dbraw/zinc/43/32/15/425433215.db2.gz WEQQWBMPBDULIG-LBPRGKRZSA-N 1 3 309.376 2.037 20 0 DEADHO CC[N@@H+](CCCNC(=O)C(N)C(F)(F)F)C1CCCCC1 ZINC000653200985 425433218 /nfs/dbraw/zinc/43/32/18/425433218.db2.gz WEQQWBMPBDULIG-LBPRGKRZSA-N 1 3 309.376 2.037 20 0 DEADHO C[NH2+]Cc1ccccc1CNC(=O)c1cccc(CN(C)C)c1 ZINC000653214445 425436055 /nfs/dbraw/zinc/43/60/55/425436055.db2.gz VOWKYOXYGBUVQR-UHFFFAOYSA-N 1 3 311.429 2.398 20 0 DEADHO C[C@@H]([NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)C1CCOCC1 ZINC000658138351 425444462 /nfs/dbraw/zinc/44/44/62/425444462.db2.gz JHDMTTZYJGJVLV-BEFAXECRSA-N 1 3 318.461 2.158 20 0 DEADHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccncc1 ZINC000658139679 425444636 /nfs/dbraw/zinc/44/46/36/425444636.db2.gz RAJKCQULEATOTP-BEFAXECRSA-N 1 3 311.429 2.499 20 0 DEADHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccncc1 ZINC000658139679 425444638 /nfs/dbraw/zinc/44/46/38/425444638.db2.gz RAJKCQULEATOTP-BEFAXECRSA-N 1 3 311.429 2.499 20 0 DEADHO CCN(C(=O)NCC(C)(C)C[NH+]1CCCC1)[C@H]1CCN(CC)C1 ZINC000664744873 425447178 /nfs/dbraw/zinc/44/71/78/425447178.db2.gz VIKXATHUNQYKKT-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H]1COCC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166310 425450964 /nfs/dbraw/zinc/45/09/64/425450964.db2.gz NSMFLCNZNAQIAP-CRAIPNDOSA-N 1 3 303.450 2.308 20 0 DEADHO Cc1nccn1CC[N@H+]1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000661636897 425467324 /nfs/dbraw/zinc/46/73/24/425467324.db2.gz ANJSJDRJFORRMU-IBGZPJMESA-N 1 3 312.461 2.440 20 0 DEADHO Cc1nccn1CC[N@@H+]1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000661636897 425467327 /nfs/dbraw/zinc/46/73/27/425467327.db2.gz ANJSJDRJFORRMU-IBGZPJMESA-N 1 3 312.461 2.440 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)NCC[C@@H](C)[NH+](C)C)c1ccco1 ZINC000664874607 425472236 /nfs/dbraw/zinc/47/22/36/425472236.db2.gz MWJKWGLXTVWASF-RRFJBIMHSA-N 1 3 324.469 2.348 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(CN)c2)C1 ZINC000659017699 425521233 /nfs/dbraw/zinc/52/12/33/425521233.db2.gz HTCHDLBEKWNLJM-CQSZACIVSA-N 1 3 304.438 2.387 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)Nc2cccc(CN)c2)C1 ZINC000659017699 425521234 /nfs/dbraw/zinc/52/12/34/425521234.db2.gz HTCHDLBEKWNLJM-CQSZACIVSA-N 1 3 304.438 2.387 20 0 DEADHO c1ccc2c(CCN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)noc2c1 ZINC000665232497 425523318 /nfs/dbraw/zinc/52/33/18/425523318.db2.gz OCZNEILDWFKYCO-ARFHVFGLSA-N 1 3 315.417 2.117 20 0 DEADHO C[C@@H](NCC12CC(C1)C[NH2+]2)c1cccc(OCCN(C)C)c1 ZINC000665277607 425533732 /nfs/dbraw/zinc/53/37/32/425533732.db2.gz GFBZXDLCSHZNRK-KSTDHSDQSA-N 1 3 303.450 2.030 20 0 DEADHO Cc1cncc(CCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000665274263 425533973 /nfs/dbraw/zinc/53/39/73/425533973.db2.gz MNMAHZHZJCTNMC-HKUYNNGSSA-N 1 3 324.428 2.173 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC1(CN2CCN(c3ccccc3)CC2)CC1 ZINC000665272585 425534206 /nfs/dbraw/zinc/53/42/06/425534206.db2.gz HXZGLAAEJKQAKQ-IRXDYDNUSA-N 1 3 316.493 2.057 20 0 DEADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000665357672 425552582 /nfs/dbraw/zinc/55/25/82/425552582.db2.gz SIPVGRGNXMLDPT-PMPSAXMXSA-N 1 3 322.497 2.127 20 0 DEADHO CC(C)NCC(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000659291889 425568710 /nfs/dbraw/zinc/56/87/10/425568710.db2.gz LUMKIOXFQFGXMY-UHFFFAOYSA-N 1 3 302.422 2.139 20 0 DEADHO COc1ccc([C@@H](C)C[NH+]2CCC(N3CC[C@H](O)C3)CC2)cc1 ZINC000662146690 425574337 /nfs/dbraw/zinc/57/43/37/425574337.db2.gz AJRFGTUOPXGOSC-YJBOKZPZSA-N 1 3 318.461 2.330 20 0 DEADHO O[C@@H]1CCN(C2CC[NH+](CCCCC3CCOCC3)CC2)C1 ZINC000662152516 425578351 /nfs/dbraw/zinc/57/83/51/425578351.db2.gz UQUQNEIEXLYUII-GOSISDBHSA-N 1 3 310.482 2.114 20 0 DEADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000665555521 425595761 /nfs/dbraw/zinc/59/57/61/425595761.db2.gz FWLVDGVKIKFSKU-HOTGVXAUSA-N 1 3 324.513 2.375 20 0 DEADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000665555521 425595763 /nfs/dbraw/zinc/59/57/63/425595763.db2.gz FWLVDGVKIKFSKU-HOTGVXAUSA-N 1 3 324.513 2.375 20 0 DEADHO CN(CC(C)(C)[NH3+])C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000659422967 425600339 /nfs/dbraw/zinc/60/03/39/425600339.db2.gz HGHVRVKRPXVXFK-INIZCTEOSA-N 1 3 318.465 2.202 20 0 DEADHO C[NH2+]C[C@H](C)NC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000659444670 425605203 /nfs/dbraw/zinc/60/52/03/425605203.db2.gz GJKBYRXLXRRMRV-RDJZCZTQSA-N 1 3 318.465 2.039 20 0 DEADHO C[NH2+]C[C@@H](C)NC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000659444671 425605211 /nfs/dbraw/zinc/60/52/11/425605211.db2.gz GJKBYRXLXRRMRV-WBVHZDCISA-N 1 3 318.465 2.039 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C[C@H]2CCC3(CNC3)O2)C1 ZINC000662261443 425606972 /nfs/dbraw/zinc/60/69/72/425606972.db2.gz YPICDFCSZNTVOX-FGTMMUONSA-N 1 3 321.509 2.094 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C[C@H]2CCC3(CNC3)O2)C1 ZINC000662261443 425606973 /nfs/dbraw/zinc/60/69/73/425606973.db2.gz YPICDFCSZNTVOX-FGTMMUONSA-N 1 3 321.509 2.094 20 0 DEADHO C([C@H]1CCCO1)N1CCC([NH2+]C2CC(N3CCCCC3)C2)CC1 ZINC000655765032 425647446 /nfs/dbraw/zinc/64/74/46/425647446.db2.gz XGRUDONZSWXEOQ-CTWPCTMYSA-N 1 3 321.509 2.236 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCCN(C[C@H]3CCCO3)CC2)C1 ZINC000659837913 425666306 /nfs/dbraw/zinc/66/63/06/425666306.db2.gz ILJMOECVBBBCSW-CEXWTWQISA-N 1 3 323.525 2.151 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCN2CCCN(C[C@H]3CCCO3)CC2)C1 ZINC000659837913 425666309 /nfs/dbraw/zinc/66/63/09/425666309.db2.gz ILJMOECVBBBCSW-CEXWTWQISA-N 1 3 323.525 2.151 20 0 DEADHO CC(C)CCNC(=O)[C@@H](C)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290825 425613794 /nfs/dbraw/zinc/61/37/94/425613794.db2.gz LESPQTVSMAEQKE-WBVHZDCISA-N 1 3 309.498 2.249 20 0 DEADHO C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290452 425614695 /nfs/dbraw/zinc/61/46/95/425614695.db2.gz VFRQFQDIDXWSPG-JFIYKMOQSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N(C)CC(C)(C)[NH3+])cc1 ZINC000659511963 425618768 /nfs/dbraw/zinc/61/87/68/425618768.db2.gz KOADFTGSXSTLSV-OAHLLOKOSA-N 1 3 306.454 2.189 20 0 DEADHO C[C@@H]1CCCN(CC(=O)N2CCc3ccccc32)[C@@H]1CCC[NH3+] ZINC000662313663 425620948 /nfs/dbraw/zinc/62/09/48/425620948.db2.gz VFFHALFTOGLIMH-NVXWUHKLSA-N 1 3 315.461 2.415 20 0 DEADHO O=C(C[C@H]1NCc2ccccc21)NCC1CC[NH+](C2CC2)CC1 ZINC000662544677 425678665 /nfs/dbraw/zinc/67/86/65/425678665.db2.gz FDUDCZUVFPCMNV-GOSISDBHSA-N 1 3 313.445 2.212 20 0 DEADHO CN(C)Cc1cccc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)c1 ZINC000655686213 425628832 /nfs/dbraw/zinc/62/88/32/425628832.db2.gz ZMELQYLUGVATDO-IBGZPJMESA-N 1 3 317.477 2.091 20 0 DEADHO CCC(CC)[C@@H](C[NH2+]C1CCN([C@@H]2CCOC2)CC1)N(C)C ZINC000655687703 425628846 /nfs/dbraw/zinc/62/88/46/425628846.db2.gz WSCFNSVIRRRXBC-QZTJIDSGSA-N 1 3 311.514 2.196 20 0 DEADHO CN(C)[C@@H](C[NH2+]C1CCN([C@H]2CCOC2)CC1)C1CCCCC1 ZINC000655692321 425629238 /nfs/dbraw/zinc/62/92/38/425629238.db2.gz OMFDGHJITRZYBU-OALUTQOASA-N 1 3 323.525 2.340 20 0 DEADHO C[C@@H](C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)N1CCCC[C@H]1C ZINC000655689593 425629916 /nfs/dbraw/zinc/62/99/16/425629916.db2.gz HFDNZWDKNNXSBT-ZIFCJYIRSA-N 1 3 323.525 2.482 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1CC[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000655711085 425634290 /nfs/dbraw/zinc/63/42/90/425634290.db2.gz GOBVSSUTBCADTB-SCTDSRPQSA-N 1 3 323.525 2.482 20 0 DEADHO CC(C)(C)N1CCC([NH2+]C2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000655725291 425637998 /nfs/dbraw/zinc/63/79/98/425637998.db2.gz RJNJHIPBVRGNER-QGZVFWFLSA-N 1 3 309.498 2.092 20 0 DEADHO C[C@@H](CNC(=O)c1cccc2c1CNC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000662387309 425638588 /nfs/dbraw/zinc/63/85/88/425638588.db2.gz KJHOQUNQDKSWGD-KGLIPLIRSA-N 1 3 301.434 2.140 20 0 DEADHO C[C@@H](CNC(=O)c1cccc2c1CNC2)[N@H+]1CCC[C@@H](C)C1 ZINC000662387309 425638591 /nfs/dbraw/zinc/63/85/91/425638591.db2.gz KJHOQUNQDKSWGD-KGLIPLIRSA-N 1 3 301.434 2.140 20 0 DEADHO CC[C@@H]1[C@@H](C)CCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665761428 425640721 /nfs/dbraw/zinc/64/07/21/425640721.db2.gz CRLYEJQBIZBHEU-HRCADAONSA-N 1 3 312.502 2.088 20 0 DEADHO CC[C@@H]1[C@@H](C)CCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665761428 425640724 /nfs/dbraw/zinc/64/07/24/425640724.db2.gz CRLYEJQBIZBHEU-HRCADAONSA-N 1 3 312.502 2.088 20 0 DEADHO CNCc1ccccc1NC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662398888 425641274 /nfs/dbraw/zinc/64/12/74/425641274.db2.gz KLADAPZDZNPXCP-UHFFFAOYSA-N 1 3 314.389 2.113 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cccc2c1CCNC2 ZINC000662793800 425736965 /nfs/dbraw/zinc/73/69/65/425736965.db2.gz ZXSBOHPQMFXFQM-AWEZNQCLSA-N 1 3 303.450 2.183 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cccc2c1CCNC2 ZINC000662793800 425736968 /nfs/dbraw/zinc/73/69/68/425736968.db2.gz ZXSBOHPQMFXFQM-AWEZNQCLSA-N 1 3 303.450 2.183 20 0 DEADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000655966968 425696282 /nfs/dbraw/zinc/69/62/82/425696282.db2.gz JCLKGKQQMWUJAP-QBPKDAKJSA-N 1 3 322.497 2.068 20 0 DEADHO CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)C[C@H](O)CN(C)C(C)C ZINC000659988350 425707646 /nfs/dbraw/zinc/70/76/46/425707646.db2.gz MJBVZHPWIFTWDB-RTBURBONSA-N 1 3 322.493 2.207 20 0 DEADHO CC(C)[C@@H](CO)[N@H+](Cc1ccccc1)C[C@H](O)CN(C)C(C)C ZINC000659988350 425707649 /nfs/dbraw/zinc/70/76/49/425707649.db2.gz MJBVZHPWIFTWDB-RTBURBONSA-N 1 3 322.493 2.207 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C1(NC2CC2)CCC1 ZINC000662683990 425712413 /nfs/dbraw/zinc/71/24/13/425712413.db2.gz VCWFTSQNKKUKCX-HNNXBMFYSA-N 1 3 307.482 2.432 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C1(NC2CC2)CCC1 ZINC000662683990 425712418 /nfs/dbraw/zinc/71/24/18/425712418.db2.gz VCWFTSQNKKUKCX-HNNXBMFYSA-N 1 3 307.482 2.432 20 0 DEADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000662694869 425714220 /nfs/dbraw/zinc/71/42/20/425714220.db2.gz UWYJBTKZBSQPDZ-RHSMWYFYSA-N 1 3 321.440 2.105 20 0 DEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1(N)CC2(CCC2)C1 ZINC000662695446 425715348 /nfs/dbraw/zinc/71/53/48/425715348.db2.gz MCCUTICZRZCJJY-QLFBSQMISA-N 1 3 307.482 2.131 20 0 DEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1(N)CC2(CCC2)C1 ZINC000662695446 425715352 /nfs/dbraw/zinc/71/53/52/425715352.db2.gz MCCUTICZRZCJJY-QLFBSQMISA-N 1 3 307.482 2.131 20 0 DEADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cccc2c1CCNC2 ZINC000662712978 425720690 /nfs/dbraw/zinc/72/06/90/425720690.db2.gz WKDNUQLSNLVCQW-GASCZTMLSA-N 1 3 315.461 2.325 20 0 DEADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cccc2c1CCNC2 ZINC000662712978 425720696 /nfs/dbraw/zinc/72/06/96/425720696.db2.gz WKDNUQLSNLVCQW-GASCZTMLSA-N 1 3 315.461 2.325 20 0 DEADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc2c(s1)CCNC2 ZINC000662746736 425727722 /nfs/dbraw/zinc/72/77/22/425727722.db2.gz WKUSXZUDSMYDSC-CQSZACIVSA-N 1 3 321.490 2.340 20 0 DEADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cc2c(s1)CCNC2 ZINC000662746736 425727724 /nfs/dbraw/zinc/72/77/24/425727724.db2.gz WKUSXZUDSMYDSC-CQSZACIVSA-N 1 3 321.490 2.340 20 0 DEADHO CO[C@H](C[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1)[C@@H]1CCOC1 ZINC000660256973 425776925 /nfs/dbraw/zinc/77/69/25/425776925.db2.gz OZSCCSOSZOINOZ-YFHUEUNASA-N 1 3 310.482 2.281 20 0 DEADHO CO[C@H](CN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[C@@H]1CCOC1 ZINC000660256973 425776928 /nfs/dbraw/zinc/77/69/28/425776928.db2.gz OZSCCSOSZOINOZ-YFHUEUNASA-N 1 3 310.482 2.281 20 0 DEADHO CO[C@H](CN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CCOC1 ZINC000660256973 425776934 /nfs/dbraw/zinc/77/69/34/425776934.db2.gz OZSCCSOSZOINOZ-YFHUEUNASA-N 1 3 310.482 2.281 20 0 DEADHO [NH3+]CCCN(c1cccc(F)c1)C1CCN([C@H]2CCOC2)CC1 ZINC000656256247 425746361 /nfs/dbraw/zinc/74/63/61/425746361.db2.gz WNLBHZRCLJCNFJ-SFHVURJKSA-N 1 3 321.440 2.234 20 0 DEADHO CN(CCOCc1ccccc1)CC[N@H+](C)C1CCN(C)CC1 ZINC000660139147 425749578 /nfs/dbraw/zinc/74/95/78/425749578.db2.gz LLNNIRXRFJCQQC-UHFFFAOYSA-N 1 3 319.493 2.161 20 0 DEADHO CN(CCOCc1ccccc1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000660139147 425749582 /nfs/dbraw/zinc/74/95/82/425749582.db2.gz LLNNIRXRFJCQQC-UHFFFAOYSA-N 1 3 319.493 2.161 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000662871657 425752885 /nfs/dbraw/zinc/75/28/85/425752885.db2.gz BWHZUECJGVKLQH-NJAFHUGGSA-N 1 3 317.477 2.135 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000662871657 425752890 /nfs/dbraw/zinc/75/28/90/425752890.db2.gz BWHZUECJGVKLQH-NJAFHUGGSA-N 1 3 317.477 2.135 20 0 DEADHO C[NH+](C)CCCC1CCN(CCc2nnn(C(C)(C)C)n2)CC1 ZINC000660155824 425753349 /nfs/dbraw/zinc/75/33/49/425753349.db2.gz DGOUEYQBJYCMQK-UHFFFAOYSA-N 1 3 322.501 2.024 20 0 DEADHO C[NH+](C)CCCC1CCN([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000660158989 425755997 /nfs/dbraw/zinc/75/59/97/425755997.db2.gz QOBAKYSOGDHTFN-OKZBNKHCSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CCCN(C(=O)c2cc3c(s2)CCNC3)[C@@H]1CCC[NH3+] ZINC000662893187 425758931 /nfs/dbraw/zinc/75/89/31/425758931.db2.gz TXLZDDUHILTWHI-TZMCWYRMSA-N 1 3 321.490 2.373 20 0 DEADHO Cn1cc(CN2CCC(C[NH+](C)C)CC2)c(-c2ccncc2)n1 ZINC000360078819 269048074 /nfs/dbraw/zinc/04/80/74/269048074.db2.gz XWGUCTFGKANNRJ-UHFFFAOYSA-N 1 3 313.449 2.256 20 0 DEADHO C[C@H](CNC(=O)[C@H]1C[C@H](C)CC[NH2+]1)N(C)Cc1ccccc1 ZINC000390715004 269098213 /nfs/dbraw/zinc/09/82/13/269098213.db2.gz KHPTYLOFEYAKOP-BFYDXBDKSA-N 1 3 303.450 2.011 20 0 DEADHO CC(C)[NH2+]CCC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000398081837 269108142 /nfs/dbraw/zinc/10/81/42/269108142.db2.gz SAHOAJCOJUDKHJ-NVXWUHKLSA-N 1 3 303.450 2.154 20 0 DEADHO CC[N@H+](CCC1CCN(C[C@H]2CN(C)C(=O)O2)CC1)CC1CC1 ZINC000495792885 269176438 /nfs/dbraw/zinc/17/64/38/269176438.db2.gz HLWHNISFUPOCHE-QGZVFWFLSA-N 1 3 323.481 2.271 20 0 DEADHO CC[N@@H+](CCC1CCN(C[C@H]2CN(C)C(=O)O2)CC1)CC1CC1 ZINC000495792885 269176439 /nfs/dbraw/zinc/17/64/39/269176439.db2.gz HLWHNISFUPOCHE-QGZVFWFLSA-N 1 3 323.481 2.271 20 0 DEADHO CCOC(=O)N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000496220693 269205593 /nfs/dbraw/zinc/20/55/93/269205593.db2.gz ZMPJWFYSACQZQV-ZJIFWQFVSA-N 1 3 309.454 2.118 20 0 DEADHO CNC[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496405285 269216953 /nfs/dbraw/zinc/21/69/53/269216953.db2.gz YJQSSBGDKLATMV-HZPDHXFCSA-N 1 3 319.449 2.485 20 0 DEADHO CN1CCC[C@H]1CC[N@@H+]1CCCC[C@@H]1COC(=O)NC1CC1 ZINC000496669079 269239359 /nfs/dbraw/zinc/23/93/59/269239359.db2.gz VNEZWIWYYYBGIY-JKSUJKDBSA-N 1 3 309.454 2.214 20 0 DEADHO CN1CCC[C@H]1CC[N@H+]1CCCC[C@@H]1COC(=O)NC1CC1 ZINC000496669079 269239361 /nfs/dbraw/zinc/23/93/61/269239361.db2.gz VNEZWIWYYYBGIY-JKSUJKDBSA-N 1 3 309.454 2.214 20 0 DEADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2CCCNC(=O)OC(C)(C)C)C1 ZINC000497227893 269295159 /nfs/dbraw/zinc/29/51/59/269295159.db2.gz PMVSXBHHSGBUCX-GJZGRUSLSA-N 1 3 311.470 2.317 20 0 DEADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2CCCNC(=O)OC(C)(C)C)C1 ZINC000497227893 269295160 /nfs/dbraw/zinc/29/51/60/269295160.db2.gz PMVSXBHHSGBUCX-GJZGRUSLSA-N 1 3 311.470 2.317 20 0 DEADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2CCCNC(=O)OC(C)(C)C)C1 ZINC000497227893 269295161 /nfs/dbraw/zinc/29/51/61/269295161.db2.gz PMVSXBHHSGBUCX-GJZGRUSLSA-N 1 3 311.470 2.317 20 0 DEADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2CCCNC(=O)OC(C)(C)C)C1 ZINC000497227893 269295162 /nfs/dbraw/zinc/29/51/62/269295162.db2.gz PMVSXBHHSGBUCX-GJZGRUSLSA-N 1 3 311.470 2.317 20 0 DEADHO C[NH2+][C@H](C)C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000514799406 269332767 /nfs/dbraw/zinc/33/27/67/269332767.db2.gz URRJAZWGKABKIL-PBHICJAKSA-N 1 3 317.477 2.184 20 0 DEADHO NC[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000517229988 269379694 /nfs/dbraw/zinc/37/96/94/269379694.db2.gz WKYAROXQBANSMK-UPJWGTAASA-N 1 3 321.387 2.037 20 0 DEADHO [NH3+]C[C@H]1CCC[C@@H]1N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000517229988 269379695 /nfs/dbraw/zinc/37/96/95/269379695.db2.gz WKYAROXQBANSMK-UPJWGTAASA-N 1 3 321.387 2.037 20 0 DEADHO CCCN(C(=O)N[C@H](C)CN1CCC(C)CC1)C1CC[NH2+]CC1 ZINC000517246810 269381258 /nfs/dbraw/zinc/38/12/58/269381258.db2.gz JKHIXOJJENLWKM-MRXNPFEDSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001423385088 1173321191 /nfs/dbraw/zinc/32/11/91/1173321191.db2.gz XQENRVGCOKEOPH-GOSISDBHSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001423385088 1173321201 /nfs/dbraw/zinc/32/12/01/1173321201.db2.gz XQENRVGCOKEOPH-GOSISDBHSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000449099517 276018612 /nfs/dbraw/zinc/01/86/12/276018612.db2.gz NXGKCPFQGDALQX-BFYDXBDKSA-N 1 3 303.450 2.326 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000418350032 276058018 /nfs/dbraw/zinc/05/80/18/276058018.db2.gz KTGPUACMEHXUCX-JJRVBVJISA-N 1 3 318.465 2.189 20 0 DEADHO CCN(C(=O)[C@@H]1C[C@@H]1[NH3+])[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000424157624 276063766 /nfs/dbraw/zinc/06/37/66/276063766.db2.gz QBTMQHBPUOIEFD-DZUCGIPZSA-N 1 3 301.434 2.018 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+](C)[C@H](C)COC)CC1 ZINC000352298013 276203456 /nfs/dbraw/zinc/20/34/56/276203456.db2.gz RVSAYXKSTVQDED-MRXNPFEDSA-N 1 3 305.466 2.295 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+](C)[C@H](C)COC)CC1 ZINC000352298013 276203457 /nfs/dbraw/zinc/20/34/57/276203457.db2.gz RVSAYXKSTVQDED-MRXNPFEDSA-N 1 3 305.466 2.295 20 0 DEADHO CCCC1CCC([N@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414741142 276225819 /nfs/dbraw/zinc/22/58/19/276225819.db2.gz DNTUALYGIOKWRH-CGZBRXJRSA-N 1 3 309.498 2.474 20 0 DEADHO CCCC1CCC([N@@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414741142 276225821 /nfs/dbraw/zinc/22/58/21/276225821.db2.gz DNTUALYGIOKWRH-CGZBRXJRSA-N 1 3 309.498 2.474 20 0 DEADHO CN(C)[C@H](CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+])Cc1ccccc1 ZINC000449314056 276789203 /nfs/dbraw/zinc/78/92/03/276789203.db2.gz YLNDULVWZYIGFS-OKZBNKHCSA-N 1 3 317.477 2.183 20 0 DEADHO CC(C)(C)N1C[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)CC1=O ZINC000297824949 277158127 /nfs/dbraw/zinc/15/81/27/277158127.db2.gz ZFWHIDBSIAOYBE-HNNXBMFYSA-N 1 3 316.449 2.039 20 0 DEADHO COC(=O)[C@@H](CC[N@@H+]1CC[C@H](CN(C)C)C1)c1ccccc1 ZINC000425403868 277340586 /nfs/dbraw/zinc/34/05/86/277340586.db2.gz KIYNQPSCDKHQHP-WBVHZDCISA-N 1 3 304.434 2.217 20 0 DEADHO COC(=O)[C@@H](CC[N@H+]1CC[C@H](CN(C)C)C1)c1ccccc1 ZINC000425403868 277340587 /nfs/dbraw/zinc/34/05/87/277340587.db2.gz KIYNQPSCDKHQHP-WBVHZDCISA-N 1 3 304.434 2.217 20 0 DEADHO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCCCCC1 ZINC000360126697 278210390 /nfs/dbraw/zinc/21/03/90/278210390.db2.gz VNAGACYENSHIOV-JKSUJKDBSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CCCCCC1 ZINC000360126697 278210391 /nfs/dbraw/zinc/21/03/91/278210391.db2.gz VNAGACYENSHIOV-JKSUJKDBSA-N 1 3 307.482 2.384 20 0 DEADHO CC(C)CN(C(=O)CCC1CC[NH2+]CC1)C1CCN(C)CC1 ZINC000423758128 278804527 /nfs/dbraw/zinc/80/45/27/278804527.db2.gz JJQJUPVGGKHASC-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)CN(CCN(C)C)C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000423709373 278859773 /nfs/dbraw/zinc/85/97/73/278859773.db2.gz IPGDEZOTUIORQI-UHFFFAOYSA-N 1 3 317.477 2.035 20 0 DEADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000448246757 279038809 /nfs/dbraw/zinc/03/88/09/279038809.db2.gz GAVFCKMURSJBKD-HZPDHXFCSA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000448246757 279038811 /nfs/dbraw/zinc/03/88/11/279038811.db2.gz GAVFCKMURSJBKD-HZPDHXFCSA-N 1 3 324.513 2.090 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000353111696 279270561 /nfs/dbraw/zinc/27/05/61/279270561.db2.gz MTHKXPYTDXHMNO-BRWVUGGUSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCCN1C1CC1 ZINC000280065151 279283043 /nfs/dbraw/zinc/28/30/43/279283043.db2.gz BKGKVIBLQSJYHQ-CRAIPNDOSA-N 1 3 315.461 2.250 20 0 DEADHO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCCN1C1CC1 ZINC000280065151 279283045 /nfs/dbraw/zinc/28/30/45/279283045.db2.gz BKGKVIBLQSJYHQ-CRAIPNDOSA-N 1 3 315.461 2.250 20 0 DEADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000295042010 280027066 /nfs/dbraw/zinc/02/70/66/280027066.db2.gz OVICYZGCLACXBY-MAZHCROVSA-N 1 3 315.417 2.028 20 0 DEADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000361104541 280166512 /nfs/dbraw/zinc/16/65/12/280166512.db2.gz FJHSCLKHVBNQMF-YOEHRIQHSA-N 1 3 303.406 2.015 20 0 DEADHO CC[C@H](O)[C@H](CC)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423150361 281006930 /nfs/dbraw/zinc/00/69/30/281006930.db2.gz BSFFNMKZCARZQZ-OVWQWFNUSA-N 1 3 304.434 2.381 20 0 DEADHO CC(=O)NC1CCC([NH2+]CCCN2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000132553584 281993488 /nfs/dbraw/zinc/99/34/88/281993488.db2.gz FGTCIQPUNILRCI-QEFXCSQDSA-N 1 3 309.498 2.391 20 0 DEADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000346255927 282017658 /nfs/dbraw/zinc/01/76/58/282017658.db2.gz DJHIXPNTSQXLGK-CAOSSQGBSA-N 1 3 309.498 2.342 20 0 DEADHO C[NH+](C)C1(CNC(=O)NC[C@H]2CCCCN2C2CC2)CCCC1 ZINC000433901982 282036082 /nfs/dbraw/zinc/03/60/82/282036082.db2.gz VHGGMWCJTPPNCO-MRXNPFEDSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc2c(c1)CNC2 ZINC000416002838 288706756 /nfs/dbraw/zinc/70/67/56/288706756.db2.gz DLJXCUOZMQGFBY-DYVFJYSZSA-N 1 3 314.433 2.380 20 0 DEADHO CN(C)C/C=C/C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000274941909 289038295 /nfs/dbraw/zinc/03/82/95/289038295.db2.gz QQVKLVPUWHFTJE-RUJXFNLJSA-N 1 3 315.461 2.131 20 0 DEADHO CN(C)C/C=C/C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000274941909 289038297 /nfs/dbraw/zinc/03/82/97/289038297.db2.gz QQVKLVPUWHFTJE-RUJXFNLJSA-N 1 3 315.461 2.131 20 0 DEADHO C[C@@H]1[C@H](NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CCCN1C ZINC000418012729 289051641 /nfs/dbraw/zinc/05/16/41/289051641.db2.gz YFAUSCIMJQVTQK-QBPKDAKJSA-N 1 3 322.497 2.033 20 0 DEADHO CN1C[C@@H]2CCCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H]2C1 ZINC000425670832 289182311 /nfs/dbraw/zinc/18/23/11/289182311.db2.gz GMKBDIZUHNZXRF-XHSDSOJGSA-N 1 3 324.513 2.088 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000293926672 289223957 /nfs/dbraw/zinc/22/39/57/289223957.db2.gz IUWYXTLTCSCULJ-LJQANCHMSA-N 1 3 315.461 2.306 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000293926672 289223960 /nfs/dbraw/zinc/22/39/60/289223960.db2.gz IUWYXTLTCSCULJ-LJQANCHMSA-N 1 3 315.461 2.306 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000237892162 295310809 /nfs/dbraw/zinc/31/08/09/295310809.db2.gz YYNKGPPMIRKCQW-DLBZAZTESA-N 1 3 307.482 2.228 20 0 DEADHO O=C(NCCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1cccs1 ZINC000422958722 295643172 /nfs/dbraw/zinc/64/31/72/295643172.db2.gz YWWDMHFKJKOUOW-KFWWJZLASA-N 1 3 321.490 2.378 20 0 DEADHO Cc1ccc([C@H](CN[C@H]2CCCC[C@@H]2C[NH3+])N2CCOCC2)o1 ZINC000422797462 301801006 /nfs/dbraw/zinc/80/10/06/301801006.db2.gz MPMBVDZSYUDONJ-IKGGRYGDSA-N 1 3 321.465 2.068 20 0 DEADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@@H]1CCO[C@H]1C1CC1 ZINC000423009830 304858698 /nfs/dbraw/zinc/85/86/98/304858698.db2.gz FBKPUBIJOFMPOL-KCITZHQASA-N 1 3 314.429 2.399 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC1CC(OCc2ccccc2)C1 ZINC000572868792 325991813 /nfs/dbraw/zinc/99/18/13/325991813.db2.gz GEKXQMOGFZGBBG-XMQLQKOFSA-N 1 3 304.434 2.076 20 0 DEADHO COC[C@@H](O)CNCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000573556754 326068707 /nfs/dbraw/zinc/06/87/07/326068707.db2.gz BDVBLSNBQOHWBE-SFHVURJKSA-N 1 3 306.450 2.160 20 0 DEADHO C[C@@H]1CCN(CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000575210230 326229340 /nfs/dbraw/zinc/22/93/40/326229340.db2.gz AAZMPVVBYJRCMQ-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1CCN(CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000575210230 326229342 /nfs/dbraw/zinc/22/93/42/326229342.db2.gz AAZMPVVBYJRCMQ-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)(C[NH2+]C[C@H](O)Cc1ccc(F)cc1)CN1CCCC1 ZINC000576865697 326325032 /nfs/dbraw/zinc/32/50/32/326325032.db2.gz IGSBPCBLNHCIDL-QGZVFWFLSA-N 1 3 308.441 2.441 20 0 DEADHO CCc1cc(N2CCC[C@H]([NH2+][C@@H]3CCCC[C@H]3CN)C2)ncn1 ZINC000584285780 332212769 /nfs/dbraw/zinc/21/27/69/332212769.db2.gz RMODPOCIEOSMIM-BHYGNILZSA-N 1 3 317.481 2.115 20 0 DEADHO CCc1cc(N2CCC[C@H](N[C@@H]3CCCC[C@H]3C[NH3+])C2)ncn1 ZINC000584285780 332212770 /nfs/dbraw/zinc/21/27/70/332212770.db2.gz RMODPOCIEOSMIM-BHYGNILZSA-N 1 3 317.481 2.115 20 0 DEADHO COc1cc2c(cc1C[NH2+]C[C@H]1CCCN(C)C1)O[C@@H](C)C2 ZINC000378881864 333060256 /nfs/dbraw/zinc/06/02/56/333060256.db2.gz HNAGTGMNHBWOFQ-UONOGXRCSA-N 1 3 304.434 2.450 20 0 DEADHO CC1(C)CCN(CC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000583639947 336007603 /nfs/dbraw/zinc/00/76/03/336007603.db2.gz WLLFIOUKIFCFQX-UHFFFAOYSA-N 1 3 309.498 2.491 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000582903788 337213538 /nfs/dbraw/zinc/21/35/38/337213538.db2.gz PEMGNRWSFUHHBH-GJZGRUSLSA-N 1 3 312.502 2.266 20 0 DEADHO C[C@H](NC(=O)[C@@H](N)C1CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000399156479 337314131 /nfs/dbraw/zinc/31/41/31/337314131.db2.gz BQLRRFPOXSLDPR-WBAXXEDZSA-N 1 3 315.461 2.141 20 0 DEADHO C[C@H](NC(=O)[C@@H](N)C1CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000399156479 337314132 /nfs/dbraw/zinc/31/41/32/337314132.db2.gz BQLRRFPOXSLDPR-WBAXXEDZSA-N 1 3 315.461 2.141 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001376964400 1159858220 /nfs/dbraw/zinc/85/82/20/1159858220.db2.gz FKTOQSVKUZFZPA-STQMWFEESA-N 1 3 321.387 2.004 20 0 DEADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2sccc2OC)CC1 ZINC001414077424 1149012177 /nfs/dbraw/zinc/01/21/77/1149012177.db2.gz HKTSZBOKHIELQZ-CQSZACIVSA-N 1 3 311.495 2.120 20 0 DEADHO CC/C=C/CC[NH+]1CC([C@H](C)NC(=O)CN2CC[C@H](C)C2)C1 ZINC001330055198 1149041826 /nfs/dbraw/zinc/04/18/26/1149041826.db2.gz UJBTWICTPPCWBV-DKLOGILVSA-N 1 3 307.482 2.121 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)NC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000417704825 533783093 /nfs/dbraw/zinc/78/30/93/533783093.db2.gz MZKANOMHHQEYBY-GOEBONIOSA-N 1 3 318.465 2.167 20 0 DEADHO C[C@@H]1C[C@H](C[NH3+])CN1CCCc1nc(-c2ccccc2)no1 ZINC000442770583 533844013 /nfs/dbraw/zinc/84/40/13/533844013.db2.gz YEKWTMBQIZBDAG-ZIAGYGMSSA-N 1 3 300.406 2.338 20 0 DEADHO C[C@H](NC[C@@H](CO)Cc1c(F)cccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000422790443 533879359 /nfs/dbraw/zinc/87/93/59/533879359.db2.gz BZDNHPFXEUCNPY-RWMBFGLXSA-N 1 3 314.832 2.218 20 0 DEADHO CCc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCN2C)cc1 ZINC001378809573 1152453020 /nfs/dbraw/zinc/45/30/20/1152453020.db2.gz ZDOFAEDXXTZRFP-CRAIPNDOSA-N 1 3 317.477 2.280 20 0 DEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000422687674 534067345 /nfs/dbraw/zinc/06/73/45/534067345.db2.gz BTOFUGINMQSVEU-QAPCUYQASA-N 1 3 302.466 2.024 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccccc1OCCN(C)C ZINC000422817447 534072576 /nfs/dbraw/zinc/07/25/76/534072576.db2.gz DALFOBNRUDGZLQ-WBVHZDCISA-N 1 3 305.466 2.105 20 0 DEADHO COc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443057564 534146509 /nfs/dbraw/zinc/14/65/09/534146509.db2.gz GZIRYYMBGDRNBT-ZIAGYGMSSA-N 1 3 305.422 2.083 20 0 DEADHO c1ccc(C2(CN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422814441 534481774 /nfs/dbraw/zinc/48/17/74/534481774.db2.gz UUXYTAAWIWKLKF-KZNAEPCWSA-N 1 3 300.446 2.465 20 0 DEADHO Fc1ccc(OCCCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422783839 534484214 /nfs/dbraw/zinc/48/42/14/534484214.db2.gz OUIACJLRKRQAGE-OKZBNKHCSA-N 1 3 322.424 2.341 20 0 DEADHO c1ccc(NCCCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422759506 534496989 /nfs/dbraw/zinc/49/69/89/534496989.db2.gz PIOXSWNWHIEMDP-OKZBNKHCSA-N 1 3 303.450 2.235 20 0 DEADHO CC[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)C ZINC000124452035 521829449 /nfs/dbraw/zinc/82/94/49/521829449.db2.gz KRWZYCOHQOETPG-KRWDZBQOSA-N 1 3 303.450 2.107 20 0 DEADHO C[C@H](C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)[C@@H](N)c1ccccc1 ZINC000246304074 525937001 /nfs/dbraw/zinc/93/70/01/525937001.db2.gz OFUQFIQDEOAXDG-YQQAZPJKSA-N 1 3 303.450 2.123 20 0 DEADHO C[C@H](C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)[C@@H](N)c1ccccc1 ZINC000246304074 525937010 /nfs/dbraw/zinc/93/70/10/525937010.db2.gz OFUQFIQDEOAXDG-YQQAZPJKSA-N 1 3 303.450 2.123 20 0 DEADHO O=C(NC[C@H]1CCCN(Cc2cccs2)C1)[C@H]1CCC[NH2+]C1 ZINC000246551561 526595347 /nfs/dbraw/zinc/59/53/47/526595347.db2.gz TXKAUEMRUKRUIW-CABCVRRESA-N 1 3 321.490 2.076 20 0 DEADHO NC(=O)CC[N@H+](CCCN1CCCCC1)Cc1ccccc1 ZINC000161668547 526869974 /nfs/dbraw/zinc/86/99/74/526869974.db2.gz QRFHMBPLYSCGQW-UHFFFAOYSA-N 1 3 303.450 2.240 20 0 DEADHO NC(=O)CC[N@@H+](CCCN1CCCCC1)Cc1ccccc1 ZINC000161668547 526869976 /nfs/dbraw/zinc/86/99/76/526869976.db2.gz QRFHMBPLYSCGQW-UHFFFAOYSA-N 1 3 303.450 2.240 20 0 DEADHO CC(C)C(=O)Nc1ccc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1 ZINC000422795881 527538979 /nfs/dbraw/zinc/53/89/79/527538979.db2.gz IGFIIXMXDHRNHH-RRQGHBQHSA-N 1 3 319.449 2.123 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418376063 528085409 /nfs/dbraw/zinc/08/54/09/528085409.db2.gz FPXSCQWIOBFWCT-MRXNPFEDSA-N 1 3 310.486 2.036 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000448031605 528253189 /nfs/dbraw/zinc/25/31/89/528253189.db2.gz RDPPJWASVFKDOJ-CVEARBPZSA-N 1 3 324.513 2.233 20 0 DEADHO CC[NH2+]CCNC(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000418039614 528322805 /nfs/dbraw/zinc/32/28/05/528322805.db2.gz UGYXDFPSPFTPAZ-QGZVFWFLSA-N 1 3 320.481 2.052 20 0 DEADHO CCCCN(C)CCNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000417612963 528342643 /nfs/dbraw/zinc/34/26/43/528342643.db2.gz SBQLDMHMLQTWBV-DLBZAZTESA-N 1 3 324.513 2.282 20 0 DEADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N(C)[C@H](C)C[NH3+] ZINC000418032549 528438405 /nfs/dbraw/zinc/43/84/05/528438405.db2.gz MCPCCKFTIUVBJA-NVXWUHKLSA-N 1 3 320.481 2.132 20 0 DEADHO CCN(C(=O)NCCCC[NH3+])[C@H]1CCN(Cc2ccccc2)C1 ZINC000418507038 528991233 /nfs/dbraw/zinc/99/12/33/528991233.db2.gz IEJKKWCVPZZQDK-KRWDZBQOSA-N 1 3 318.465 2.031 20 0 DEADHO CC(C)N1CC[C@@H](N(C)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000418386869 529059683 /nfs/dbraw/zinc/05/96/83/529059683.db2.gz QRSXUUGSDMDUOJ-CVEARBPZSA-N 1 3 310.486 2.018 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H]2NCCc3ccccc32)CC1 ZINC000357262733 535148106 /nfs/dbraw/zinc/14/81/06/535148106.db2.gz ZZUGZZUSDUCCTK-SFHVURJKSA-N 1 3 315.461 2.110 20 0 DEADHO CCCN(C)CC(=O)NCc1ccccc1C[NH+](CC)CC ZINC000358558311 535251227 /nfs/dbraw/zinc/25/12/27/535251227.db2.gz XXRAYAADXPCBSE-UHFFFAOYSA-N 1 3 305.466 2.486 20 0 DEADHO CC[NH+](CC)CCCC1CCN(C(=O)/C=C\CN(C)C)CC1 ZINC000492533025 535498218 /nfs/dbraw/zinc/49/82/18/535498218.db2.gz LESSUNQUJDSZAR-NTMALXAHSA-N 1 3 309.498 2.465 20 0 DEADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000349647850 535719815 /nfs/dbraw/zinc/71/98/15/535719815.db2.gz WAUXHZCVPZYRJF-INIZCTEOSA-N 1 3 322.497 2.154 20 0 DEADHO CC[C@@H]1C[C@H](CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CCO1 ZINC000357003656 535897940 /nfs/dbraw/zinc/89/79/40/535897940.db2.gz ZQLARMLJKILJTN-CEXWTWQISA-N 1 3 323.525 2.294 20 0 DEADHO CC[C@@H]1C[C@H](CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CCO1 ZINC000357003656 535897945 /nfs/dbraw/zinc/89/79/45/535897945.db2.gz ZQLARMLJKILJTN-CEXWTWQISA-N 1 3 323.525 2.294 20 0 DEADHO C[NH+](C)CCOc1ccc(CCNCc2ccncc2F)cc1 ZINC000449124340 535903265 /nfs/dbraw/zinc/90/32/65/535903265.db2.gz GFWMDOBKGUEHBW-UHFFFAOYSA-N 1 3 317.408 2.493 20 0 DEADHO C[NH+](C)CCOc1cccc(NC(=O)[C@@]2(C)CCCCN2)c1 ZINC000262135688 535913164 /nfs/dbraw/zinc/91/31/64/535913164.db2.gz LWROXZGXIBRDGC-QGZVFWFLSA-N 1 3 305.422 2.098 20 0 DEADHO CN(C)Cc1ccc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000458178224 535996878 /nfs/dbraw/zinc/99/68/78/535996878.db2.gz WJSVGHOEBCKPQA-HNNXBMFYSA-N 1 3 303.450 2.210 20 0 DEADHO CN(C)Cc1ccc(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000458178224 535996882 /nfs/dbraw/zinc/99/68/82/535996882.db2.gz WJSVGHOEBCKPQA-HNNXBMFYSA-N 1 3 303.450 2.210 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000456679489 536024871 /nfs/dbraw/zinc/02/48/71/536024871.db2.gz AUDCGYDHRZMLKS-UHFFFAOYSA-N 1 3 315.461 2.495 20 0 DEADHO CN(CCCc1cc(-c2ccccc2)no1)CCOCC[NH3+] ZINC000357092951 536361831 /nfs/dbraw/zinc/36/18/31/536361831.db2.gz VFNZUCDONWFRNJ-UHFFFAOYSA-N 1 3 303.406 2.181 20 0 DEADHO COc1cccc(N2CCN(CCC3CC[NH2+]CC3)CC2)c1 ZINC000261726365 537123018 /nfs/dbraw/zinc/12/30/18/537123018.db2.gz QRPSAGGOYGDQLS-UHFFFAOYSA-N 1 3 303.450 2.207 20 0 DEADHO CC(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCN1C(C)C ZINC001379014859 1152532048 /nfs/dbraw/zinc/53/20/48/1152532048.db2.gz OCBWPGWRLNKCAR-IAGOWNOFSA-N 1 3 309.498 2.342 20 0 DEADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1C)N(C)C ZINC001379232831 1152594404 /nfs/dbraw/zinc/59/44/04/1152594404.db2.gz VYELOTIYWKMPKR-RDJZCZTQSA-N 1 3 305.466 2.272 20 0 DEADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CC1CCCCCC1 ZINC001379238593 1152595430 /nfs/dbraw/zinc/59/54/30/1152595430.db2.gz FKILCDCVJOSDCE-CQSZACIVSA-N 1 3 306.454 2.359 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC001368782630 1148654833 /nfs/dbraw/zinc/65/48/33/1148654833.db2.gz CBSXATMFOKHUTP-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001379383484 1152617531 /nfs/dbraw/zinc/61/75/31/1152617531.db2.gz MDPROCNBRMUIKA-IUODEOHRSA-N 1 3 311.857 2.275 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(C)c(F)c1 ZINC001379596306 1152649010 /nfs/dbraw/zinc/64/90/10/1152649010.db2.gz LPUVXFJWRRSPMZ-AWEZNQCLSA-N 1 3 309.429 2.070 20 0 DEADHO C[NH+](C)CCCC[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000825860831 608505174 /nfs/dbraw/zinc/50/51/74/608505174.db2.gz XXBBCMOFEZAAHR-MRXNPFEDSA-N 1 3 314.437 2.176 20 0 DEADHO C[NH+](C)CCCC[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000825860831 608505176 /nfs/dbraw/zinc/50/51/76/608505176.db2.gz XXBBCMOFEZAAHR-MRXNPFEDSA-N 1 3 314.437 2.176 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CCC(F)(F)F ZINC001382161503 1153383188 /nfs/dbraw/zinc/38/31/88/1153383188.db2.gz DKAIPPOUGXIUTA-QWHCGFSZSA-N 1 3 323.403 2.250 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC)C1 ZINC001023696559 625393328 /nfs/dbraw/zinc/39/33/28/625393328.db2.gz PNUQZFBBFRUHJD-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC)C1 ZINC001023696559 625393332 /nfs/dbraw/zinc/39/33/32/625393332.db2.gz PNUQZFBBFRUHJD-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO CC1CC(C[NH2+]C[C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001024016755 625542975 /nfs/dbraw/zinc/54/29/75/625542975.db2.gz NOGLWANCNPNESL-AQFXKWCLSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001020590407 622928668 /nfs/dbraw/zinc/92/86/68/622928668.db2.gz VMJVILPEAMPNPO-DJIMGWMZSA-N 1 3 307.482 2.145 20 0 DEADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)cs1 ZINC000969952345 623019502 /nfs/dbraw/zinc/01/95/02/623019502.db2.gz VGDAEFNDQZIZTD-XJKSGUPXSA-N 1 3 321.490 2.231 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1)N(C)C ZINC000969991165 623042254 /nfs/dbraw/zinc/04/22/54/623042254.db2.gz GSARCBPZENWDFT-CVEARBPZSA-N 1 3 323.868 2.371 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001021380615 623577811 /nfs/dbraw/zinc/57/78/11/623577811.db2.gz NEQNETPMHYKRCB-CCNLRDMRSA-N 1 3 319.493 2.382 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001021380615 623577815 /nfs/dbraw/zinc/57/78/15/623577815.db2.gz NEQNETPMHYKRCB-CCNLRDMRSA-N 1 3 319.493 2.382 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]2C[N@H+](CC3CC3)CC[C@@H]21)C1CCC1 ZINC001021605817 623821446 /nfs/dbraw/zinc/82/14/46/623821446.db2.gz NSALEXTTWKVJEH-AEFFLSMTSA-N 1 3 319.493 2.194 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]2C[N@@H+](CC3CC3)CC[C@@H]21)C1CCC1 ZINC001021605817 623821456 /nfs/dbraw/zinc/82/14/56/623821456.db2.gz NSALEXTTWKVJEH-AEFFLSMTSA-N 1 3 319.493 2.194 20 0 DEADHO CN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1CCCN(C)C1 ZINC000891434567 624168435 /nfs/dbraw/zinc/16/84/35/624168435.db2.gz ORNMGSGJLUQJAJ-CQSZACIVSA-N 1 3 310.486 2.031 20 0 DEADHO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CC2)C1)N1CCCCC1 ZINC001022077286 624192748 /nfs/dbraw/zinc/19/27/48/624192748.db2.gz NHHSKUUQIYVOQE-IYBDPMFKSA-N 1 3 307.482 2.288 20 0 DEADHO CC(C)N1CCN(CCC[NH2+]C2([C@H]3CCCCO3)CC2)CC1 ZINC000933374815 624195675 /nfs/dbraw/zinc/19/56/75/624195675.db2.gz DCGLLBNGNCDLAM-QGZVFWFLSA-N 1 3 309.498 2.094 20 0 DEADHO C[C@H]1CCC[N@@H+]1CCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000891475183 624211227 /nfs/dbraw/zinc/21/12/27/624211227.db2.gz CZLZMDANJFDIGS-DOTOQJQBSA-N 1 3 318.465 2.073 20 0 DEADHO C[C@H]1CCC[N@H+]1CCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000891475183 624211228 /nfs/dbraw/zinc/21/12/28/624211228.db2.gz CZLZMDANJFDIGS-DOTOQJQBSA-N 1 3 318.465 2.073 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC2CC(C)(C)C2)C1)N(C)C ZINC000971777759 624545720 /nfs/dbraw/zinc/54/57/20/624545720.db2.gz GRTSBCUCURADNQ-HZPDHXFCSA-N 1 3 309.498 2.296 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C1)N(C)C ZINC000971777759 624545723 /nfs/dbraw/zinc/54/57/23/624545723.db2.gz GRTSBCUCURADNQ-HZPDHXFCSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC000978802366 634424394 /nfs/dbraw/zinc/42/43/94/634424394.db2.gz XANOUSXPQOZAPB-ZJPYXAASSA-N 1 3 321.509 2.199 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC000978802366 634424399 /nfs/dbraw/zinc/42/43/99/634424399.db2.gz XANOUSXPQOZAPB-ZJPYXAASSA-N 1 3 321.509 2.199 20 0 DEADHO CCn1cc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c(C)n1 ZINC000893037508 625070023 /nfs/dbraw/zinc/07/00/23/625070023.db2.gz HPGYSNFROVVZKD-GJZGRUSLSA-N 1 3 308.470 2.190 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001023125828 625163904 /nfs/dbraw/zinc/16/39/04/625163904.db2.gz YUKYATLOWQZPDU-UOVPBQLFSA-N 1 3 315.461 2.296 20 0 DEADHO COc1ccccc1N1CCC(N[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925535436 625239197 /nfs/dbraw/zinc/23/91/97/625239197.db2.gz WPUDHJAQKZISJE-HOCLYGCPSA-N 1 3 303.450 2.394 20 0 DEADHO CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCN1CC(C)C ZINC001024523003 625836897 /nfs/dbraw/zinc/83/68/97/625836897.db2.gz LTBUBPSZQYGJNY-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCN1CC(C)C ZINC001024523003 625836902 /nfs/dbraw/zinc/83/69/02/625836902.db2.gz LTBUBPSZQYGJNY-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001007742549 625844529 /nfs/dbraw/zinc/84/45/29/625844529.db2.gz FQDRUQHFVZMVBY-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001007742549 625844532 /nfs/dbraw/zinc/84/45/32/625844532.db2.gz FQDRUQHFVZMVBY-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CCC[NH2+]C1CC(N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000999400677 634579659 /nfs/dbraw/zinc/57/96/59/634579659.db2.gz MEIUOYJSJIWPCT-KVULBXGLSA-N 1 3 313.461 2.188 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2C)C1)N(C)C ZINC000999488780 634618631 /nfs/dbraw/zinc/61/86/31/634618631.db2.gz GYYCRZQGRLJGED-ZWKOTPCHSA-N 1 3 317.477 2.416 20 0 DEADHO CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC000979708966 634746393 /nfs/dbraw/zinc/74/63/93/634746393.db2.gz GBLMABBPTKTZGU-BBWFWOEESA-N 1 3 321.509 2.488 20 0 DEADHO CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC000979708966 634746400 /nfs/dbraw/zinc/74/64/00/634746400.db2.gz GBLMABBPTKTZGU-BBWFWOEESA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001000195721 634784501 /nfs/dbraw/zinc/78/45/01/634784501.db2.gz ZUHSRSLSIYJVIG-SJLPKXTDSA-N 1 3 319.493 2.409 20 0 DEADHO CC(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)CC1(C)C ZINC000995797638 633119419 /nfs/dbraw/zinc/11/94/19/633119419.db2.gz MPEHJBAOBNZXBF-HOTGVXAUSA-N 1 3 309.498 2.342 20 0 DEADHO CN(CC(=O)N1C[C@@H]([NH2+]CC2CCCC2)C(C)(C)C1)C1CCC1 ZINC000995900857 633135245 /nfs/dbraw/zinc/13/52/45/633135245.db2.gz AIBJWXUUKDDPAX-QGZVFWFLSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2ccsc2)C(C)(C)C1)N(C)C ZINC000995953462 633147214 /nfs/dbraw/zinc/14/72/14/633147214.db2.gz VLVHKTZCGUQFOQ-HUUCEWRRSA-N 1 3 323.506 2.415 20 0 DEADHO CC(C)C[NH2+][C@H]1CN(C(=O)C(C)(C)N2CCCC2)CC1(C)C ZINC000996128797 633192323 /nfs/dbraw/zinc/19/23/23/633192323.db2.gz SMGZRLHVBXXOGS-HNNXBMFYSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@H]([NH2+]CC2CCC2)C(C)(C)C1)N(C)C ZINC000996246054 633218758 /nfs/dbraw/zinc/21/87/58/633218758.db2.gz JDXRDLFIJALRKG-JKSUJKDBSA-N 1 3 309.498 2.199 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+]Cc3ccsc3)C2)CCC1 ZINC001026885702 633241415 /nfs/dbraw/zinc/24/14/15/633241415.db2.gz MBLNYJWGNJUBLI-AWEZNQCLSA-N 1 3 321.490 2.171 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+]CC3CCCC3)C2)CCC1 ZINC001026885378 633241508 /nfs/dbraw/zinc/24/15/08/633241508.db2.gz IWVJZTXDKLECPZ-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO CN(CC(=O)N1CC[C@H](C[NH2+]CC2CCCCC2)C1)C1CCC1 ZINC001026888329 633248018 /nfs/dbraw/zinc/24/80/18/633248018.db2.gz DHLIKSOLLBGLRO-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001027044673 633370427 /nfs/dbraw/zinc/37/04/27/633370427.db2.gz BYFRIAYCQXOZRB-DOTOQJQBSA-N 1 3 323.525 2.447 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001027044674 633370440 /nfs/dbraw/zinc/37/04/40/633370440.db2.gz BYFRIAYCQXOZRB-NVXWUHKLSA-N 1 3 323.525 2.447 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC001027091241 633431186 /nfs/dbraw/zinc/43/11/86/633431186.db2.gz IAJHZGGZWUVRHT-KBXCAEBGSA-N 1 3 324.428 2.078 20 0 DEADHO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1)c1ccccc1 ZINC001027217330 633500487 /nfs/dbraw/zinc/50/04/87/633500487.db2.gz IPCJHSBHLHYGRZ-IRXDYDNUSA-N 1 3 315.461 2.282 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](C(C)C)CC1 ZINC000997118004 633599673 /nfs/dbraw/zinc/59/96/73/633599673.db2.gz AWDSURQOJVWPNN-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCCN(CC3=CCCCC3)C2)C1 ZINC001009520927 633671678 /nfs/dbraw/zinc/67/16/78/633671678.db2.gz YLSHUQXGAOSZMI-SJORKVTESA-N 1 3 305.466 2.019 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCN(CC3=CCCCC3)C2)C1 ZINC001009520927 633671681 /nfs/dbraw/zinc/67/16/81/633671681.db2.gz YLSHUQXGAOSZMI-SJORKVTESA-N 1 3 305.466 2.019 20 0 DEADHO Cc1ccccc1C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC000997306275 633703759 /nfs/dbraw/zinc/70/37/59/633703759.db2.gz BIVDDEBDCPTMFH-UHFFFAOYSA-N 1 3 315.461 2.171 20 0 DEADHO Cc1ccc(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000997306701 633705078 /nfs/dbraw/zinc/70/50/78/633705078.db2.gz IPQKDXNALGIAIY-UHFFFAOYSA-N 1 3 315.461 2.171 20 0 DEADHO CC(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001027407174 633744461 /nfs/dbraw/zinc/74/44/61/633744461.db2.gz BBRVSNARCQYIGM-DLBZAZTESA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001027407174 633744468 /nfs/dbraw/zinc/74/44/68/633744468.db2.gz BBRVSNARCQYIGM-DLBZAZTESA-N 1 3 309.498 2.438 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCC2)C1)N(C)C ZINC001027462604 633827435 /nfs/dbraw/zinc/82/74/35/633827435.db2.gz ZUMZPDRAJVSGSE-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCC2)C1)N(C)C ZINC001027462604 633827441 /nfs/dbraw/zinc/82/74/41/633827441.db2.gz ZUMZPDRAJVSGSE-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC(C[NH2+]CC2CC(C)C2)CC1)N(C)C ZINC000997840103 634005998 /nfs/dbraw/zinc/00/59/98/634005998.db2.gz MGKCLRSGGGONGP-VJFUWPCTSA-N 1 3 323.525 2.447 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([N@H+](C)CCC2CC2)C1 ZINC001027576131 634183180 /nfs/dbraw/zinc/18/31/80/634183180.db2.gz KTTNQUCZDQUCHY-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([N@@H+](C)CCC2CC2)C1 ZINC001027576131 634183188 /nfs/dbraw/zinc/18/31/88/634183188.db2.gz KTTNQUCZDQUCHY-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001027879874 634853759 /nfs/dbraw/zinc/85/37/59/634853759.db2.gz ZQOCOOKRRYGANQ-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001027879874 634853763 /nfs/dbraw/zinc/85/37/63/634853763.db2.gz ZQOCOOKRRYGANQ-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO C[N@H+](CC1=CCCCC1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980409434 634991167 /nfs/dbraw/zinc/99/11/67/634991167.db2.gz SSZBTIZPKFQPSH-QGZVFWFLSA-N 1 3 305.466 2.115 20 0 DEADHO C[N@@H+](CC1=CCCCC1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980409434 634991172 /nfs/dbraw/zinc/99/11/72/634991172.db2.gz SSZBTIZPKFQPSH-QGZVFWFLSA-N 1 3 305.466 2.115 20 0 DEADHO CCC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000980469993 635012020 /nfs/dbraw/zinc/01/20/20/635012020.db2.gz BDAJEFMSXWUJOD-QGZVFWFLSA-N 1 3 303.450 2.305 20 0 DEADHO CCC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000980469993 635012022 /nfs/dbraw/zinc/01/20/22/635012022.db2.gz BDAJEFMSXWUJOD-QGZVFWFLSA-N 1 3 303.450 2.305 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001000319728 635138722 /nfs/dbraw/zinc/13/87/22/635138722.db2.gz OVHNLQCJICADDE-HNNXBMFYSA-N 1 3 304.438 2.113 20 0 DEADHO C[C@H]1C[C@@H](C[NH2+]Cc2ccccc2)CN1C(=O)CN1CCCC1 ZINC000980798693 635156730 /nfs/dbraw/zinc/15/67/30/635156730.db2.gz CWGACIUADCCXDO-WMZOPIPTSA-N 1 3 315.461 2.109 20 0 DEADHO C[N@H+](CCCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC000837227270 650177217 /nfs/dbraw/zinc/17/72/17/650177217.db2.gz RQMIFKDJLSNCLQ-QGZVFWFLSA-N 1 3 313.461 2.190 20 0 DEADHO C[N@@H+](CCCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC000837227270 650177221 /nfs/dbraw/zinc/17/72/21/650177221.db2.gz RQMIFKDJLSNCLQ-QGZVFWFLSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)=CCN1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001000701880 635270137 /nfs/dbraw/zinc/27/01/37/635270137.db2.gz OBQUPDAOIGKVFM-NVXWUHKLSA-N 1 3 305.466 2.041 20 0 DEADHO CC(C)=CCN1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001000701880 635270141 /nfs/dbraw/zinc/27/01/41/635270141.db2.gz OBQUPDAOIGKVFM-NVXWUHKLSA-N 1 3 305.466 2.041 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CCC[C@@H]([NH2+]CCF)C1)N1CCCCC1 ZINC000981090481 635305171 /nfs/dbraw/zinc/30/51/71/635305171.db2.gz CQGQSGQYVONLMS-HUUCEWRRSA-N 1 3 313.461 2.237 20 0 DEADHO C[C@@H](F)CCN1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000981369091 635456191 /nfs/dbraw/zinc/45/61/91/635456191.db2.gz APDYYJBUSIOGBZ-HZPDHXFCSA-N 1 3 313.461 2.143 20 0 DEADHO C[C@@H](F)CCN1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000981369091 635456193 /nfs/dbraw/zinc/45/61/93/635456193.db2.gz APDYYJBUSIOGBZ-HZPDHXFCSA-N 1 3 313.461 2.143 20 0 DEADHO CCCC[NH+]1CCC(CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001001394617 635476896 /nfs/dbraw/zinc/47/68/96/635476896.db2.gz ZGNAWGNJNJLHJL-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC1CC[NH+](CC[C@@H](C)F)CC1 ZINC001002792453 635799664 /nfs/dbraw/zinc/79/96/64/635799664.db2.gz OKWCZOFPYOEALQ-ZBFHGGJFSA-N 1 3 313.461 2.188 20 0 DEADHO CCS(=O)(=O)c1ccccc1CCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000925835158 635848668 /nfs/dbraw/zinc/84/86/68/635848668.db2.gz QVBCLUAWOFKIGC-HOCLYGCPSA-N 1 3 324.490 2.000 20 0 DEADHO CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC000982277422 635939979 /nfs/dbraw/zinc/93/99/79/635939979.db2.gz HJAGQQKQFPXJDF-YTQUADARSA-N 1 3 321.509 2.440 20 0 DEADHO CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC000982277422 635939982 /nfs/dbraw/zinc/93/99/82/635939982.db2.gz HJAGQQKQFPXJDF-YTQUADARSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CCN1C ZINC000922330140 636091374 /nfs/dbraw/zinc/09/13/74/636091374.db2.gz YNFRCCLSESUXDE-OIISXLGYSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CCN1C ZINC000922330140 636091377 /nfs/dbraw/zinc/09/13/77/636091377.db2.gz YNFRCCLSESUXDE-OIISXLGYSA-N 1 3 322.497 2.175 20 0 DEADHO Cc1ccc(CN2CCC[C@@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001028313896 636125583 /nfs/dbraw/zinc/12/55/83/636125583.db2.gz CUHJVJFPFDTWFD-ZWKOTPCHSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccc(CN2CCC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001028313896 636125585 /nfs/dbraw/zinc/12/55/85/636125585.db2.gz CUHJVJFPFDTWFD-ZWKOTPCHSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccc(CN2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001028313894 636125616 /nfs/dbraw/zinc/12/56/16/636125616.db2.gz CUHJVJFPFDTWFD-QZTJIDSGSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccc(CN2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001028313894 636125619 /nfs/dbraw/zinc/12/56/19/636125619.db2.gz CUHJVJFPFDTWFD-QZTJIDSGSA-N 1 3 315.461 2.027 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1ccnn1C(C)C)C2 ZINC000922387748 636142224 /nfs/dbraw/zinc/14/22/24/636142224.db2.gz APQHSLYHDLBNKK-BDXSIMOUSA-N 1 3 320.481 2.033 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1ccnn1C(C)C)C2 ZINC000922387748 636142226 /nfs/dbraw/zinc/14/22/26/636142226.db2.gz APQHSLYHDLBNKK-BDXSIMOUSA-N 1 3 320.481 2.033 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001028579895 636372600 /nfs/dbraw/zinc/37/26/00/636372600.db2.gz KXBJPIMDDMGRFO-IRXDYDNUSA-N 1 3 307.482 2.099 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001028579895 636372603 /nfs/dbraw/zinc/37/26/03/636372603.db2.gz KXBJPIMDDMGRFO-IRXDYDNUSA-N 1 3 307.482 2.099 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001028580526 636375898 /nfs/dbraw/zinc/37/58/98/636375898.db2.gz XWFGPQNFRSWKON-MSOLQXFVSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001028580526 636375900 /nfs/dbraw/zinc/37/59/00/636375900.db2.gz XWFGPQNFRSWKON-MSOLQXFVSA-N 1 3 321.509 2.489 20 0 DEADHO C[N@@H+]1CC[C@H](NC[C@H]2CCN2C(=O)OC(C)(C)C)CC1(C)C ZINC000922790267 636401879 /nfs/dbraw/zinc/40/18/79/636401879.db2.gz ADSIHJDIKKHHCE-UONOGXRCSA-N 1 3 311.470 2.458 20 0 DEADHO C[N@H+]1CC[C@H](NC[C@H]2CCN2C(=O)OC(C)(C)C)CC1(C)C ZINC000922790267 636401882 /nfs/dbraw/zinc/40/18/82/636401882.db2.gz ADSIHJDIKKHHCE-UONOGXRCSA-N 1 3 311.470 2.458 20 0 DEADHO CCC[N@H+]1C[C@@H]2CCN(C(=O)CN(C)C3CCC3)CC[C@@H]2C1 ZINC000946623570 636475010 /nfs/dbraw/zinc/47/50/10/636475010.db2.gz MLXZKXONKGAKFZ-IYBDPMFKSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)C3CCC3)CC[C@@H]2C1 ZINC000946623570 636475013 /nfs/dbraw/zinc/47/50/13/636475013.db2.gz MLXZKXONKGAKFZ-IYBDPMFKSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004615914 636501883 /nfs/dbraw/zinc/50/18/83/636501883.db2.gz JNNQSFURDKYXAO-KRWDZBQOSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004615914 636501887 /nfs/dbraw/zinc/50/18/87/636501887.db2.gz JNNQSFURDKYXAO-KRWDZBQOSA-N 1 3 307.482 2.195 20 0 DEADHO CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001028844965 636783417 /nfs/dbraw/zinc/78/34/17/636783417.db2.gz FCMCOKMSIJDJOO-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001028844965 636783422 /nfs/dbraw/zinc/78/34/22/636783422.db2.gz FCMCOKMSIJDJOO-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001028845397 636784502 /nfs/dbraw/zinc/78/45/02/636784502.db2.gz KGBFVYQLIOZFER-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001028845397 636784505 /nfs/dbraw/zinc/78/45/05/636784505.db2.gz KGBFVYQLIOZFER-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCC)C1 ZINC001028918557 636852621 /nfs/dbraw/zinc/85/26/21/636852621.db2.gz IMVYBFMRWPDQQY-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC)C1 ZINC001028918557 636852625 /nfs/dbraw/zinc/85/26/25/636852625.db2.gz IMVYBFMRWPDQQY-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cccc2c1OCC2 ZINC000894454000 637044747 /nfs/dbraw/zinc/04/47/47/637044747.db2.gz JZKOAJAKZKKHFU-UHFFFAOYSA-N 1 3 317.477 2.079 20 0 DEADHO CCOc1ccc(CN(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000894459452 637050825 /nfs/dbraw/zinc/05/08/25/637050825.db2.gz IVWWLHQNXSUKEW-INIZCTEOSA-N 1 3 321.465 2.279 20 0 DEADHO [NH3+]C[C@H]1CCCN(C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000923282403 637083686 /nfs/dbraw/zinc/08/36/86/637083686.db2.gz VJHXFNAYJPVMNV-UKRRQHHQSA-N 1 3 316.367 2.280 20 0 DEADHO CCCN(C[C@@H](O)COc1ccccc1F)C1CC[NH2+]CC1 ZINC000923327456 637118584 /nfs/dbraw/zinc/11/85/84/637118584.db2.gz PVKVXBHGCHRPAM-OAHLLOKOSA-N 1 3 310.413 2.029 20 0 DEADHO CCC[N@H+](C[C@@H](O)COc1ccccc1F)C1CCNCC1 ZINC000923327456 637118591 /nfs/dbraw/zinc/11/85/91/637118591.db2.gz PVKVXBHGCHRPAM-OAHLLOKOSA-N 1 3 310.413 2.029 20 0 DEADHO CCC[N@@H+](C[C@@H](O)COc1ccccc1F)C1CCNCC1 ZINC000923327456 637118596 /nfs/dbraw/zinc/11/85/96/637118596.db2.gz PVKVXBHGCHRPAM-OAHLLOKOSA-N 1 3 310.413 2.029 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1C ZINC000923333108 637120693 /nfs/dbraw/zinc/12/06/93/637120693.db2.gz OTXFROSYEHBRMF-XWTMOSNGSA-N 1 3 318.461 2.021 20 0 DEADHO COC(=O)c1cncc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000923358268 637132874 /nfs/dbraw/zinc/13/28/74/637132874.db2.gz GMMAPZWSOJAUCF-HOTGVXAUSA-N 1 3 317.433 2.080 20 0 DEADHO C[C@H]1CN(CC(=O)NC2(c3ccccc3)CCC2)CC[C@H]1C[NH3+] ZINC000923496481 637207848 /nfs/dbraw/zinc/20/78/48/637207848.db2.gz IWKUGPJGOUBXFT-HOTGVXAUSA-N 1 3 315.461 2.099 20 0 DEADHO C[C@@H]1CCc2ccccc2N1C(=O)CN1CC[C@H](CC[NH3+])C1 ZINC000923489001 637208382 /nfs/dbraw/zinc/20/83/82/637208382.db2.gz VSHMVRMPVKXXMM-CABCVRRESA-N 1 3 301.434 2.025 20 0 DEADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000894780987 637208479 /nfs/dbraw/zinc/20/84/79/637208479.db2.gz BSPADZOEIBQGHU-HOTGVXAUSA-N 1 3 323.481 2.269 20 0 DEADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000894780987 637208483 /nfs/dbraw/zinc/20/84/83/637208483.db2.gz BSPADZOEIBQGHU-HOTGVXAUSA-N 1 3 323.481 2.269 20 0 DEADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000894780987 637208488 /nfs/dbraw/zinc/20/84/88/637208488.db2.gz BSPADZOEIBQGHU-HOTGVXAUSA-N 1 3 323.481 2.269 20 0 DEADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000894780987 637208490 /nfs/dbraw/zinc/20/84/90/637208490.db2.gz BSPADZOEIBQGHU-HOTGVXAUSA-N 1 3 323.481 2.269 20 0 DEADHO C[C@H](C(=O)N1CCCc2ccccc21)N1CC[C@@H](CC[NH3+])C1 ZINC000923493430 637211328 /nfs/dbraw/zinc/21/13/28/637211328.db2.gz UUPXJPXTTASMBS-HUUCEWRRSA-N 1 3 301.434 2.025 20 0 DEADHO C[C@H](NC(=O)[C@H](C)N1CC[C@@H](C[NH3+])[C@@H](C)C1)c1ccccc1 ZINC000923502370 637212592 /nfs/dbraw/zinc/21/25/92/637212592.db2.gz BLNISIPDVAOYOV-JKQORVJESA-N 1 3 303.450 2.169 20 0 DEADHO C[C@@H]1CCCCN1C(=O)CN1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923502776 637212655 /nfs/dbraw/zinc/21/26/55/637212655.db2.gz AFRKCGLMGQNHAA-IAGOWNOFSA-N 1 3 321.509 2.489 20 0 DEADHO CCc1ccc(CN(C)C(=O)CN2CC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923500601 637217121 /nfs/dbraw/zinc/21/71/21/637217121.db2.gz PYOQMZQSDOSGST-CRAIPNDOSA-N 1 3 317.477 2.124 20 0 DEADHO C[C@H](NC(=O)[C@H](C)N1CC[C@@H](C[NH3+])[C@@H](C)C1)c1ccc(F)cc1 ZINC000923505088 637219563 /nfs/dbraw/zinc/21/95/63/637219563.db2.gz XYALVUJOCQVACJ-YXWQFLTLSA-N 1 3 321.440 2.308 20 0 DEADHO C[C@H](NC(=O)[C@H](C)N1CC[C@H](C[NH3+])[C@H](C)C1)c1ccc(F)cc1 ZINC000923505086 637219771 /nfs/dbraw/zinc/21/97/71/637219771.db2.gz XYALVUJOCQVACJ-ORIJERBGSA-N 1 3 321.440 2.308 20 0 DEADHO CCc1ccc(NC(=O)[C@H](C)N2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923508627 637222707 /nfs/dbraw/zinc/22/27/07/637222707.db2.gz OBIIMBNXHLKYHA-DZKIICNBSA-N 1 3 303.450 2.493 20 0 DEADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H]2C)cc1 ZINC000928444534 637248446 /nfs/dbraw/zinc/24/84/46/637248446.db2.gz UCOQGBFRRCJVAN-RHSMWYFYSA-N 1 3 303.450 2.351 20 0 DEADHO COC(=O)COc1c(C)cc(C[NH2+]CC[C@@H](C)N(C)C)cc1C ZINC000895300557 637902203 /nfs/dbraw/zinc/90/22/03/637902203.db2.gz ZCQFDOKZQCPVKM-OAHLLOKOSA-N 1 3 322.449 2.285 20 0 DEADHO COC(=O)COc1c(C)cc(C[NH2+]CC[C@H](C)N(C)C)cc1C ZINC000895300556 637902261 /nfs/dbraw/zinc/90/22/61/637902261.db2.gz ZCQFDOKZQCPVKM-HNNXBMFYSA-N 1 3 322.449 2.285 20 0 DEADHO CC[NH+](CC)C[C@H]1CCN(C(=O)NC[C@@H]2CCN2C(C)(C)C)C1 ZINC000895627905 638120383 /nfs/dbraw/zinc/12/03/83/638120383.db2.gz STBKVJGPNKXOOG-CVEARBPZSA-N 1 3 324.513 2.233 20 0 DEADHO CCO/C=C/[C@](O)(C[NH2+][C@@H]1CCN(C)C(C)(C)C1)C(F)(F)F ZINC000895717991 638162738 /nfs/dbraw/zinc/16/27/38/638162738.db2.gz PQXQHSGUSMPQCT-ODAKQPGBSA-N 1 3 324.387 2.292 20 0 DEADHO CN(C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCCN(C)C1 ZINC000895804900 638206897 /nfs/dbraw/zinc/20/68/97/638206897.db2.gz NSSYEKBADDWKTD-DOTOQJQBSA-N 1 3 322.497 2.129 20 0 DEADHO CN(C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCCN(C)C1 ZINC000895804900 638206902 /nfs/dbraw/zinc/20/69/02/638206902.db2.gz NSSYEKBADDWKTD-DOTOQJQBSA-N 1 3 322.497 2.129 20 0 DEADHO CN(C)c1ccc(N2CCC(NC[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000841033573 650410362 /nfs/dbraw/zinc/41/03/62/650410362.db2.gz VWZRSBMCRYKMFE-QGZVFWFLSA-N 1 3 316.493 2.453 20 0 DEADHO CCOC(=O)[C@@H]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000896963263 639101741 /nfs/dbraw/zinc/10/17/41/639101741.db2.gz XYZPCMJKWAPGCH-MRXNPFEDSA-N 1 3 320.433 2.012 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC([N@H+](C)CCC2CC2)CC1)N(C)C ZINC000985636931 639552648 /nfs/dbraw/zinc/55/26/48/639552648.db2.gz JHTNSSHEKWBTLB-QGZVFWFLSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC([N@@H+](C)CCC2CC2)CC1)N(C)C ZINC000985636931 639552649 /nfs/dbraw/zinc/55/26/49/639552649.db2.gz JHTNSSHEKWBTLB-QGZVFWFLSA-N 1 3 309.498 2.296 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CCC2CC2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986938931 640016132 /nfs/dbraw/zinc/01/61/32/640016132.db2.gz LTVZEEGQHZNWKO-HOCLYGCPSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CC2=CCCCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987070653 640072316 /nfs/dbraw/zinc/07/23/16/640072316.db2.gz SIPDASXJQFGODD-BBRMVZONSA-N 1 3 302.422 2.032 20 0 DEADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@H]2C)cc1 ZINC000987520875 640212066 /nfs/dbraw/zinc/21/20/66/640212066.db2.gz UAOQJTTWMPTVOT-FUHWJXTLSA-N 1 3 315.461 2.170 20 0 DEADHO C[C@H]1[C@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)CN1CCCC1 ZINC000987531321 640213350 /nfs/dbraw/zinc/21/33/50/640213350.db2.gz MDRZTYITJZCNOL-DOTOQJQBSA-N 1 3 319.493 2.242 20 0 DEADHO C[C@H]1NCCN(C(=O)NC2CCC([NH+]3CCCCC3)CC2)[C@H]1C ZINC000841855455 650581558 /nfs/dbraw/zinc/58/15/58/650581558.db2.gz OYNOGXSINSHADI-XNIRIUNOSA-N 1 3 322.497 2.175 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CCC1 ZINC000763058784 640497764 /nfs/dbraw/zinc/49/77/64/640497764.db2.gz YKKWRDGDTFPGDV-QGZVFWFLSA-N 1 3 315.461 2.204 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CCC1 ZINC000763058784 640497767 /nfs/dbraw/zinc/49/77/67/640497767.db2.gz YKKWRDGDTFPGDV-QGZVFWFLSA-N 1 3 315.461 2.204 20 0 DEADHO CN1c2ccc(CN[C@@H]3CCCC[C@@H]3C[NH3+])cc2CCC1=O ZINC000841027646 640840247 /nfs/dbraw/zinc/84/02/47/640840247.db2.gz DPURAPALYORWCN-HZPDHXFCSA-N 1 3 301.434 2.203 20 0 DEADHO COC(=O)COc1ccc(C[N@H+](C)CC(C)(C)CN(C)C)cc1 ZINC000898308262 641097279 /nfs/dbraw/zinc/09/72/79/641097279.db2.gz VMFFBOZTIMQZLP-UHFFFAOYSA-N 1 3 322.449 2.258 20 0 DEADHO COC(=O)COc1ccc(C[N@@H+](C)CC(C)(C)CN(C)C)cc1 ZINC000898308262 641097282 /nfs/dbraw/zinc/09/72/82/641097282.db2.gz VMFFBOZTIMQZLP-UHFFFAOYSA-N 1 3 322.449 2.258 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CCC2CCCC2)CN1C(=O)Cc1c[nH]cn1 ZINC000989490755 641123047 /nfs/dbraw/zinc/12/30/47/641123047.db2.gz ACIZKCYPNXCQBY-CJNGLKHVSA-N 1 3 304.438 2.112 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CC2CCC2)CN1C(=O)CN1CCC(C)CC1 ZINC000989605030 641166210 /nfs/dbraw/zinc/16/62/10/641166210.db2.gz HKBFSKZOHNHVFH-DOTOQJQBSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CCC2CCCC2)CN1C(=O)CN1CCCC1 ZINC000989795779 641234504 /nfs/dbraw/zinc/23/45/04/641234504.db2.gz BMKIZKKRYFDKIK-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CCC2CCCC2)CN1C(=O)CN1CCCC1 ZINC000989795780 641234559 /nfs/dbraw/zinc/23/45/59/641234559.db2.gz BMKIZKKRYFDKIK-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC000989795957 641234856 /nfs/dbraw/zinc/23/48/56/641234856.db2.gz FAIMUHATNGYICA-WMZOPIPTSA-N 1 3 315.461 2.170 20 0 DEADHO Cc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000990243388 641408546 /nfs/dbraw/zinc/40/85/46/641408546.db2.gz GBLSLXZXJZWZHY-GOSISDBHSA-N 1 3 315.461 2.170 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC000990279694 641432372 /nfs/dbraw/zinc/43/23/72/641432372.db2.gz ZMFWXZQFUZFREX-KRWDZBQOSA-N 1 3 319.424 2.001 20 0 DEADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccnc(N2CCCC2)c1 ZINC000924629763 641497746 /nfs/dbraw/zinc/49/77/46/641497746.db2.gz YAKMAWYTWFYJLY-BYICEURKSA-N 1 3 300.450 2.112 20 0 DEADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccnc(N2CCCC2)c1 ZINC000924629763 641497749 /nfs/dbraw/zinc/49/77/49/641497749.db2.gz YAKMAWYTWFYJLY-BYICEURKSA-N 1 3 300.450 2.112 20 0 DEADHO COC(=O)COc1c(C)cc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1C ZINC000841057679 641499851 /nfs/dbraw/zinc/49/98/51/641499851.db2.gz LBYHTBRBEQQSKS-JKSUJKDBSA-N 1 3 320.433 2.215 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cnn(C3CCC3)c2)CC1 ZINC000924670226 641565881 /nfs/dbraw/zinc/56/58/81/641565881.db2.gz LWGSDGRYXTUUTM-HZPDHXFCSA-N 1 3 319.497 2.285 20 0 DEADHO CC(C)(C)N1CCC([NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)CC1 ZINC000773110965 641729875 /nfs/dbraw/zinc/72/98/75/641729875.db2.gz WOAFBNRXZPATLZ-QZTJIDSGSA-N 1 3 320.477 2.324 20 0 DEADHO CC(C)(C)N1CCC([NH2+][C@H](CO)C[C@H](O)c2ccccc2)CC1 ZINC000773110970 641730015 /nfs/dbraw/zinc/73/00/15/641730015.db2.gz WOAFBNRXZPATLZ-ROUUACIJSA-N 1 3 320.477 2.324 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cc(C)ccc2NC)CC1 ZINC000902067532 642907818 /nfs/dbraw/zinc/90/78/18/642907818.db2.gz OKCSXKFYPJTYIY-INIZCTEOSA-N 1 3 304.482 2.152 20 0 DEADHO CNc1ccccc1C[NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000902338808 643000064 /nfs/dbraw/zinc/00/00/64/643000064.db2.gz XYHHWIYCOBVQOV-QZTJIDSGSA-N 1 3 303.450 2.196 20 0 DEADHO Cc1cccc(C)c1OC[C@@H](O)CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902349682 643004137 /nfs/dbraw/zinc/00/41/37/643004137.db2.gz QAKVMIWEYLSODE-SJORKVTESA-N 1 3 320.477 2.411 20 0 DEADHO C1C[C@@H](NC2CC[NH+](C3CCCCC3)CC2)[C@]2(CCOC2)O1 ZINC000903105897 643250879 /nfs/dbraw/zinc/25/08/79/643250879.db2.gz VYKMTRYSYLESTN-QZTJIDSGSA-N 1 3 308.466 2.321 20 0 DEADHO C1C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)[C@]2(CCOC2)O1 ZINC000903105897 643250887 /nfs/dbraw/zinc/25/08/87/643250887.db2.gz VYKMTRYSYLESTN-QZTJIDSGSA-N 1 3 308.466 2.321 20 0 DEADHO CCN(C(=O)C[NH2+]C1CCN(C2CC2)CC1)c1ccccc1 ZINC000903194976 643282260 /nfs/dbraw/zinc/28/22/60/643282260.db2.gz NIPOHBCBJBLPRI-UHFFFAOYSA-N 1 3 301.434 2.256 20 0 DEADHO Cc1cccc(NC(=O)N2CCN(C[C@@H]3CC[C@H]([NH3+])C3)CC2)c1 ZINC000903434499 643348316 /nfs/dbraw/zinc/34/83/16/643348316.db2.gz GIVLOGLRNGGNPM-CVEARBPZSA-N 1 3 316.449 2.272 20 0 DEADHO [NH3+][C@@H]1CC[C@H](CN2CCN(C(=O)CC3CCCCC3)CC2)C1 ZINC000903435893 643348955 /nfs/dbraw/zinc/34/89/55/643348955.db2.gz ZOWIPQHEHWKBJF-DLBZAZTESA-N 1 3 307.482 2.228 20 0 DEADHO CCc1ccccc1NC(=O)[C@H](C)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499211 643365501 /nfs/dbraw/zinc/36/55/01/643365501.db2.gz KNWFFBSXHUDGQI-IJEWVQPXSA-N 1 3 303.450 2.493 20 0 DEADHO CCCC[C@H](C(=O)Nc1cc(C)on1)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496682 643372897 /nfs/dbraw/zinc/37/28/97/643372897.db2.gz YRVKHVXSFHSQLK-BPLDGKMQSA-N 1 3 322.453 2.397 20 0 DEADHO CN(CCOc1ccc(Cl)cc1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717850 643437943 /nfs/dbraw/zinc/43/79/43/643437943.db2.gz DZNATUXVDPHZIC-IAGOWNOFSA-N 1 3 324.852 2.419 20 0 DEADHO CC(C)[NH+]1CCC(N[C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)CC1 ZINC000787012517 643438986 /nfs/dbraw/zinc/43/89/86/643438986.db2.gz WWNJAYWSWCHQCB-UGSOOPFHSA-N 1 3 320.433 2.300 20 0 DEADHO C[C@@H](C(=O)N1CCC(C)CC1)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000903789507 643463870 /nfs/dbraw/zinc/46/38/70/643463870.db2.gz WHQHFFYXHGOLGU-HNNXBMFYSA-N 1 3 309.498 2.330 20 0 DEADHO CC(C)N1CCC[C@H](N2CCCC[C@@H]2C2(C[NH3+])CCC2)C1=O ZINC000903816570 643464388 /nfs/dbraw/zinc/46/43/88/643464388.db2.gz ZFTGZSRYJMQKSC-JKSUJKDBSA-N 1 3 307.482 2.369 20 0 DEADHO Cc1cc(C)c(C[N@@H+]2CCNCCC23CCOCC3)c(C)n1 ZINC000903818267 643478728 /nfs/dbraw/zinc/47/87/28/643478728.db2.gz DSPXYQJUGJXJBB-UHFFFAOYSA-N 1 3 303.450 2.351 20 0 DEADHO Cc1cc(C)c(C[N@H+]2CCNCCC23CCOCC3)c(C)n1 ZINC000903818267 643478730 /nfs/dbraw/zinc/47/87/30/643478730.db2.gz DSPXYQJUGJXJBB-UHFFFAOYSA-N 1 3 303.450 2.351 20 0 DEADHO Cc1ccc(CN(C)C[C@H](C[NH3+])Cc2cnn(C)c2C)s1 ZINC000903891612 643490817 /nfs/dbraw/zinc/49/08/17/643490817.db2.gz MIGXCPFCYMCXNS-AWEZNQCLSA-N 1 3 306.479 2.348 20 0 DEADHO CCCO[C@@H]1CCCN(C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903893698 643499244 /nfs/dbraw/zinc/49/92/44/643499244.db2.gz YUEOWXOALZVXKU-SJLPKXTDSA-N 1 3 322.497 2.127 20 0 DEADHO CCCO[C@@H]1CCC[N@H+](C[C@@H](CN)Cc2cnn(C)c2C)CC1 ZINC000903893698 643499247 /nfs/dbraw/zinc/49/92/47/643499247.db2.gz YUEOWXOALZVXKU-SJLPKXTDSA-N 1 3 322.497 2.127 20 0 DEADHO CCCO[C@@H]1CCC[N@@H+](C[C@@H](CN)Cc2cnn(C)c2C)CC1 ZINC000903893698 643499251 /nfs/dbraw/zinc/49/92/51/643499251.db2.gz YUEOWXOALZVXKU-SJLPKXTDSA-N 1 3 322.497 2.127 20 0 DEADHO Cc1c(C[C@@H](C[NH3+])CNCc2ccc(F)c(C)c2)cnn1C ZINC000903922614 643509179 /nfs/dbraw/zinc/50/91/79/643509179.db2.gz ARFRQMJNRRSGID-HNNXBMFYSA-N 1 3 304.413 2.083 20 0 DEADHO C[C@@H](c1ccncc1)N1CCC([NH2+]C[C@H](N)CC(F)F)CC1 ZINC000903924262 643509881 /nfs/dbraw/zinc/50/98/81/643509881.db2.gz AUIPAJLRZRCQJS-GXTWGEPZSA-N 1 3 312.408 2.179 20 0 DEADHO CCc1nn(C)c(CC)c1CNCc1cccc2c1CC[NH2+]C2 ZINC000903926017 643511225 /nfs/dbraw/zinc/51/12/25/643511225.db2.gz RDECKFJXGDFDPM-UHFFFAOYSA-N 1 3 312.461 2.480 20 0 DEADHO C[C@@]1(CN2CCC(OC[C@H]3CCCCO3)CC2)CCC[NH2+]C1 ZINC000904326421 643637739 /nfs/dbraw/zinc/63/77/39/643637739.db2.gz JESVUCAPUDBNKL-QZTJIDSGSA-N 1 3 310.482 2.426 20 0 DEADHO COc1ccc(CN2CC[C@H](CC[NH3+])C2)c(OC(F)F)c1 ZINC000904406944 643660810 /nfs/dbraw/zinc/66/08/10/643660810.db2.gz YBZTYGDNXUNTOI-NSHDSACASA-N 1 3 300.349 2.467 20 0 DEADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC[C@](C)(O)C(F)F ZINC000905400282 643894671 /nfs/dbraw/zinc/89/46/71/643894671.db2.gz QHKCKPMAZVJMFA-KMFMINBZSA-N 1 3 312.404 2.360 20 0 DEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC[C@](C)(O)C(F)F ZINC000905400282 643894673 /nfs/dbraw/zinc/89/46/73/643894673.db2.gz QHKCKPMAZVJMFA-KMFMINBZSA-N 1 3 312.404 2.360 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C[C@](C)(O)C(F)F ZINC000905400282 643894677 /nfs/dbraw/zinc/89/46/77/643894677.db2.gz QHKCKPMAZVJMFA-KMFMINBZSA-N 1 3 312.404 2.360 20 0 DEADHO O[C@@H](CNC[C@@H]1CC[N@@H+]1C1CCCCCC1)C1(O)CCCC1 ZINC000905407828 643897288 /nfs/dbraw/zinc/89/72/88/643897288.db2.gz FUIHLFMJTVXUOL-IRXDYDNUSA-N 1 3 310.482 2.039 20 0 DEADHO O[C@@H](CNC[C@@H]1CC[N@H+]1C1CCCCCC1)C1(O)CCCC1 ZINC000905407828 643897290 /nfs/dbraw/zinc/89/72/90/643897290.db2.gz FUIHLFMJTVXUOL-IRXDYDNUSA-N 1 3 310.482 2.039 20 0 DEADHO CCCCCCNC(=O)[C@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000843060710 650880834 /nfs/dbraw/zinc/88/08/34/650880834.db2.gz MBLMZAXJPDBLLD-IRXDYDNUSA-N 1 3 309.498 2.395 20 0 DEADHO CC(C)(C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)N1CCCCC1 ZINC000906617659 644294875 /nfs/dbraw/zinc/29/48/75/644294875.db2.gz IGUHIKCCEKCQJC-INIZCTEOSA-N 1 3 307.482 2.338 20 0 DEADHO CC(C)(C(=O)N1CC[C@H](N2CCCCC2)C1)[NH+]1CCCCC1 ZINC000906617659 644294882 /nfs/dbraw/zinc/29/48/82/644294882.db2.gz IGUHIKCCEKCQJC-INIZCTEOSA-N 1 3 307.482 2.338 20 0 DEADHO C[C@@H](CNC(=O)c1ccc(NC2=NCCC2)cc1)C[NH+](C)C ZINC000908344332 644827387 /nfs/dbraw/zinc/82/73/87/644827387.db2.gz FFNPZRWNYCWLRF-ZDUSSCGKSA-N 1 3 302.422 2.218 20 0 DEADHO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000908415385 644852916 /nfs/dbraw/zinc/85/29/16/644852916.db2.gz NKGHUUNHCQUEMQ-BBRMVZONSA-N 1 3 314.433 2.455 20 0 DEADHO C[NH+](C)CCCC1CCN(C[C@H](O)c2ccc(F)cn2)CC1 ZINC000799310360 645154913 /nfs/dbraw/zinc/15/49/13/645154913.db2.gz AETRQHHFFFKLJZ-KRWDZBQOSA-N 1 3 309.429 2.308 20 0 DEADHO Cc1cc([C@H](N)CC(=O)NCCCCCC[NH3+])cc(Cl)n1 ZINC000843512776 650988246 /nfs/dbraw/zinc/98/82/46/650988246.db2.gz PWTVBRHIMYIAHD-CYBMUJFWSA-N 1 3 312.845 2.069 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccnc(Cl)c2)CC1 ZINC000155676673 645210415 /nfs/dbraw/zinc/21/04/15/645210415.db2.gz XTFFHJZAQYWBAE-UONOGXRCSA-N 1 3 310.873 2.412 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000911790275 645829496 /nfs/dbraw/zinc/82/94/96/645829496.db2.gz PFPOHKQUBSRPQS-KRWDZBQOSA-N 1 3 301.434 2.297 20 0 DEADHO N[C@H](CC1CC1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000323765911 646161405 /nfs/dbraw/zinc/16/14/05/646161405.db2.gz XLUAYLCXFCGRSZ-GOSISDBHSA-N 1 3 315.461 2.416 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)N1CCCCC1 ZINC000913160446 646277603 /nfs/dbraw/zinc/27/76/03/646277603.db2.gz ZUWXONGMOCDCFR-MRXNPFEDSA-N 1 3 307.482 2.384 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CC[N@H+]1C1CCCC1)N1CCCCC1 ZINC000913160446 646277606 /nfs/dbraw/zinc/27/76/06/646277606.db2.gz ZUWXONGMOCDCFR-MRXNPFEDSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@@H](C(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1)N1CCCCCC1 ZINC000913290558 646318379 /nfs/dbraw/zinc/31/83/79/646318379.db2.gz YSUCRXZCKRLTEE-RYQLBKOJSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H](C(=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1)N1CCCCCC1 ZINC000913290558 646318384 /nfs/dbraw/zinc/31/83/84/646318384.db2.gz YSUCRXZCKRLTEE-RYQLBKOJSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810097202 646323517 /nfs/dbraw/zinc/32/35/17/646323517.db2.gz GGFGEGDXIKRKGF-PBHICJAKSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810097202 646323519 /nfs/dbraw/zinc/32/35/19/646323519.db2.gz GGFGEGDXIKRKGF-PBHICJAKSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H](NCCOCC[NH+](C)C)c1ccc(Br)nc1 ZINC000810239529 646343199 /nfs/dbraw/zinc/34/31/99/646343199.db2.gz WFMMDHKNJVDZCM-NSHDSACASA-N 1 3 316.243 2.073 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1)N(C)C ZINC001388698739 1155069514 /nfs/dbraw/zinc/06/95/14/1155069514.db2.gz PCIBAPLZVSNYIG-BBWFWOEESA-N 1 3 309.498 2.247 20 0 DEADHO CC(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]21 ZINC000992709161 647191487 /nfs/dbraw/zinc/19/14/87/647191487.db2.gz HPZUAOIZBGNLMQ-GVDBMIGSSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)Oc1cccc([C@H](O)CN[C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000817895954 647374787 /nfs/dbraw/zinc/37/47/87/647374787.db2.gz XZSLAUIQQYMRGS-BMGDILEWSA-N 1 3 306.450 2.485 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000817927912 647384396 /nfs/dbraw/zinc/38/43/96/647384396.db2.gz TWRJMSDZDYRLMF-VCTAVGKDSA-N 1 3 300.805 2.490 20 0 DEADHO C[C@@H]1CCNC[C@H]1[NH2+]C[C@H](O)c1ccccc1Br ZINC000817934167 647385981 /nfs/dbraw/zinc/38/59/81/647385981.db2.gz BYHHUGSQBUUGPX-HONMWMINSA-N 1 3 313.239 2.070 20 0 DEADHO C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]CCCN ZINC000817938613 647387819 /nfs/dbraw/zinc/38/78/19/647387819.db2.gz OLEBGUHARLVNFV-AWEZNQCLSA-N 1 3 317.433 2.170 20 0 DEADHO C[C@H]([NH2+][C@H]1CNCC[C@H]1C)c1ccc(N2CCOC2=O)cc1 ZINC000817968040 647396769 /nfs/dbraw/zinc/39/67/69/647396769.db2.gz NQMJRNCEPOMQQL-WWGRRREGSA-N 1 3 303.406 2.292 20 0 DEADHO C[C@H](CC(=O)Nc1cccnc1Cl)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000817971958 647398024 /nfs/dbraw/zinc/39/80/24/647398024.db2.gz SEEYLYKUOOMJHU-IJLUTSLNSA-N 1 3 310.829 2.182 20 0 DEADHO C[C@H]1[C@@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CCN1C ZINC000915225301 647498358 /nfs/dbraw/zinc/49/83/58/647498358.db2.gz IYGHGINAGJGHLY-YOEHRIQHSA-N 1 3 322.497 2.033 20 0 DEADHO Cc1ccc([C@@H](O)C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000819083814 647580351 /nfs/dbraw/zinc/58/03/51/647580351.db2.gz GIEKBLCNHITZJJ-LPHOPBHVSA-N 1 3 318.461 2.119 20 0 DEADHO O[C@@H](C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccccc1 ZINC000819173734 647601089 /nfs/dbraw/zinc/60/10/89/647601089.db2.gz MKXQKNWAWGWRFL-OTWHNJEPSA-N 1 3 318.461 2.078 20 0 DEADHO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@@H]1C ZINC000994481988 647967106 /nfs/dbraw/zinc/96/71/06/647967106.db2.gz CZPQHSGFUAQDCV-WMLDXEAASA-N 1 3 303.450 2.351 20 0 DEADHO CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@@H]1C ZINC000994481988 647967109 /nfs/dbraw/zinc/96/71/09/647967109.db2.gz CZPQHSGFUAQDCV-WMLDXEAASA-N 1 3 303.450 2.351 20 0 DEADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000925477312 648205252 /nfs/dbraw/zinc/20/52/52/648205252.db2.gz PVVNFTYGZXZMBZ-CRWXNKLISA-N 1 3 319.415 2.237 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CCC2)C1)N1CCCCCC1 ZINC001015796280 648209221 /nfs/dbraw/zinc/20/92/21/648209221.db2.gz WSFNQGJKHCDOGV-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCC2)C1)N1CCCCCC1 ZINC001015796280 648209222 /nfs/dbraw/zinc/20/92/22/648209222.db2.gz WSFNQGJKHCDOGV-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1[C@@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CCN1C ZINC000921222877 648281259 /nfs/dbraw/zinc/28/12/59/648281259.db2.gz WCRPBVJUKYOIMJ-YOEHRIQHSA-N 1 3 322.497 2.175 20 0 DEADHO [NH3+]Cc1cccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000825675504 648797621 /nfs/dbraw/zinc/79/76/21/648797621.db2.gz ZOMRDOWAXFJCAL-SFHVURJKSA-N 1 3 309.413 2.150 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H]1CN1CCCN(C[C@H]2CCCO2)CC1 ZINC000827406828 649029419 /nfs/dbraw/zinc/02/94/19/649029419.db2.gz QGONHPDBUCAJNB-RBUKOAKNSA-N 1 3 323.525 2.436 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H]1CN1CCCN(C[C@H]2CCCO2)CC1 ZINC000827406828 649029422 /nfs/dbraw/zinc/02/94/22/649029422.db2.gz QGONHPDBUCAJNB-RBUKOAKNSA-N 1 3 323.525 2.436 20 0 DEADHO CC[NH+]1CCC(N2CCCN(CCC(=O)CC(C)C)CC2)CC1 ZINC000828632089 649204976 /nfs/dbraw/zinc/20/49/76/649204976.db2.gz LIOOAOPQPBIQKO-UHFFFAOYSA-N 1 3 323.525 2.484 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)NC[C@@H](C)[NH+]2CCCC2)cc(Cl)n1 ZINC000831822532 649646774 /nfs/dbraw/zinc/64/67/74/649646774.db2.gz IYLZFGXDBBTZLK-OCCSQVGLSA-N 1 3 324.856 2.034 20 0 DEADHO Cc1cc([C@H](N)CC(=O)NC[C@H](C)[NH+]2CCCC2)cc(Cl)n1 ZINC000831822530 649646980 /nfs/dbraw/zinc/64/69/80/649646980.db2.gz IYLZFGXDBBTZLK-GXTWGEPZSA-N 1 3 324.856 2.034 20 0 DEADHO CN(C)C[C@@H](NC(=O)C[C@@H]([NH3+])C1CC1)c1ccc(Cl)cc1 ZINC000831933542 649660633 /nfs/dbraw/zinc/66/06/33/649660633.db2.gz MGPLUKXHZPOAFW-HUUCEWRRSA-N 1 3 309.841 2.186 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000834791999 649845935 /nfs/dbraw/zinc/84/59/35/649845935.db2.gz BQYLGWJTQWEPRW-SFYZZRBRSA-N 1 3 307.482 2.382 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000844655266 651151689 /nfs/dbraw/zinc/15/16/89/651151689.db2.gz SYSHZYPOSKUWHE-KRWDZBQOSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000844655266 651151690 /nfs/dbraw/zinc/15/16/90/651151690.db2.gz SYSHZYPOSKUWHE-KRWDZBQOSA-N 1 3 315.477 2.293 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H](O)c2cccc(Br)c2)C1 ZINC000848719853 651497739 /nfs/dbraw/zinc/49/77/39/651497739.db2.gz FQHRAVNTUHEEJB-HZSPNIEDSA-N 1 3 313.239 2.342 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(C)CC1(Cl)Cl ZINC000849035855 651590790 /nfs/dbraw/zinc/59/07/90/651590790.db2.gz OIMXIMRLUPNCLN-ZYHUDNBSSA-N 1 3 307.269 2.169 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccccc1C ZINC000849046810 651594786 /nfs/dbraw/zinc/59/47/86/651594786.db2.gz LVIJMMBIMGPTDV-BHYGNILZSA-N 1 3 300.450 2.449 20 0 DEADHO COCCC[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856599020 651955066 /nfs/dbraw/zinc/95/50/66/651955066.db2.gz LVIOAFDAKOSJKL-GOSISDBHSA-N 1 3 321.465 2.411 20 0 DEADHO COCCC[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856599020 651955071 /nfs/dbraw/zinc/95/50/71/651955071.db2.gz LVIOAFDAKOSJKL-GOSISDBHSA-N 1 3 321.465 2.411 20 0 DEADHO CCOC(=O)[C@@]1(F)CN(CCC2CC[NH2+]CC2)CC12CCC2 ZINC000852754678 652450310 /nfs/dbraw/zinc/45/03/10/652450310.db2.gz IWNKBNZHMWPMAT-KRWDZBQOSA-N 1 3 312.429 2.133 20 0 DEADHO CCOC(=O)[C@@]1(F)CN(CC[C@H]2CCC[NH2+]C2)CC12CCC2 ZINC000852754979 652451092 /nfs/dbraw/zinc/45/10/92/652451092.db2.gz RQPBSSJVBJBXDY-PBHICJAKSA-N 1 3 312.429 2.133 20 0 DEADHO CCC[N@@H+]1CC[C@H](NC(=O)C[C@H](N)c2cc(C)nc(Cl)c2)C1 ZINC000852864538 652471853 /nfs/dbraw/zinc/47/18/53/652471853.db2.gz ZOHOSOFDVLEKPY-KBPBESRZSA-N 1 3 324.856 2.034 20 0 DEADHO CCC[N@H+]1CC[C@H](NC(=O)C[C@H](N)c2cc(C)nc(Cl)c2)C1 ZINC000852864538 652471859 /nfs/dbraw/zinc/47/18/59/652471859.db2.gz ZOHOSOFDVLEKPY-KBPBESRZSA-N 1 3 324.856 2.034 20 0 DEADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000854229783 652661548 /nfs/dbraw/zinc/66/15/48/652661548.db2.gz XFDZUVABMLAGLM-MIGQKNRLSA-N 1 3 310.388 2.349 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(F)cc1C ZINC001390511064 1155776509 /nfs/dbraw/zinc/77/65/09/1155776509.db2.gz UBZSISGKKBNUPU-AWEZNQCLSA-N 1 3 309.429 2.070 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](C)CC1CCC(F)(F)CC1)N(C)C ZINC001390777094 1155866713 /nfs/dbraw/zinc/86/67/13/1155866713.db2.gz BVZHWXMZEVYQNE-CQSZACIVSA-N 1 3 319.440 2.200 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](C)CC1CCC(F)(F)CC1)N(C)C ZINC001390777094 1155866717 /nfs/dbraw/zinc/86/67/17/1155866717.db2.gz BVZHWXMZEVYQNE-CQSZACIVSA-N 1 3 319.440 2.200 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](CC)[NH2+]C/C=C\Cl ZINC001373761948 1157347368 /nfs/dbraw/zinc/34/73/68/1157347368.db2.gz QFNFMPWKZNRLBC-CUXBFQRZSA-N 1 3 301.862 2.098 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H](N)CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379660527 685393486 /nfs/dbraw/zinc/39/34/86/685393486.db2.gz ABBDGHCKZLFFNY-OLMNPRSZSA-N 1 3 315.461 2.283 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H](N)CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000379660527 685393499 /nfs/dbraw/zinc/39/34/99/685393499.db2.gz ABBDGHCKZLFFNY-OLMNPRSZSA-N 1 3 315.461 2.283 20 0 DEADHO CN(C)C1(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000119297834 684079474 /nfs/dbraw/zinc/07/94/74/684079474.db2.gz IGYXAWIKCLYULD-UHFFFAOYSA-N 1 3 315.461 2.252 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@]2(CC[N@H+](CC3CC3)C2)C1)C1CC1 ZINC001054145182 693861956 /nfs/dbraw/zinc/86/19/56/693861956.db2.gz MBQHGNLIZDCKHB-PKOBYXMFSA-N 1 3 319.493 2.051 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@]2(CC[N@@H+](CC3CC3)C2)C1)C1CC1 ZINC001054145182 693861960 /nfs/dbraw/zinc/86/19/60/693861960.db2.gz MBQHGNLIZDCKHB-PKOBYXMFSA-N 1 3 319.493 2.051 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](CCC3CC3)C2)C1)N(C)C ZINC001054198712 693878778 /nfs/dbraw/zinc/87/87/78/693878778.db2.gz DXUMIQJBOOZMFC-PKOBYXMFSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@]2(CC[N@@H+](CCC3CC3)C2)C1)N(C)C ZINC001054198712 693878782 /nfs/dbraw/zinc/87/87/82/693878782.db2.gz DXUMIQJBOOZMFC-PKOBYXMFSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001054198257 693878921 /nfs/dbraw/zinc/87/89/21/693878921.db2.gz TZGGGQCPABRGHZ-AEFFLSMTSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001054198257 693878925 /nfs/dbraw/zinc/87/89/25/693878925.db2.gz TZGGGQCPABRGHZ-AEFFLSMTSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1CN(CCN(C)Cc2ccc(C[NH+](C)C)cc2)C[C@H](C)O1 ZINC000859211887 685681390 /nfs/dbraw/zinc/68/13/90/685681390.db2.gz BZEOBENDHGNAQP-IRXDYDNUSA-N 1 3 319.493 2.289 20 0 DEADHO O[C@@H](CN1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1)C[NH+]1CCCC1 ZINC000859929891 685856605 /nfs/dbraw/zinc/85/66/05/685856605.db2.gz IRIXUEKJXNTZIC-ZSYWTGECSA-N 1 3 300.446 2.179 20 0 DEADHO CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+][C@@H]2CCN[C@H]2C)C1 ZINC000863488392 686508773 /nfs/dbraw/zinc/50/87/73/686508773.db2.gz PIMZAAHYZGCYRD-WUHRBBMRSA-N 1 3 304.381 2.084 20 0 DEADHO CC(C)(C)c1ccc([C@@H](O)C[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000863563988 686523492 /nfs/dbraw/zinc/52/34/92/686523492.db2.gz SCTFFCLOVSEYBI-MSOLQXFVSA-N 1 3 320.477 2.064 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CC1CCCC1 ZINC001054740005 694036270 /nfs/dbraw/zinc/03/62/70/694036270.db2.gz UPWKRNYWUCREJY-GDBMZVCRSA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)C1(C(=O)N[C@H](C[NH2+]CC2CCC2)C(C)(C)C)CCC1 ZINC001394821898 1158804714 /nfs/dbraw/zinc/80/47/14/1158804714.db2.gz MORSMEPGVJQKMK-OAHLLOKOSA-N 1 3 309.498 2.391 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(CCCF)C1 ZINC001015971620 687485813 /nfs/dbraw/zinc/48/58/13/687485813.db2.gz CCCKRIWGOXROAC-HOTGVXAUSA-N 1 3 313.461 2.191 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(CCCF)C1 ZINC001015971620 687485816 /nfs/dbraw/zinc/48/58/16/687485816.db2.gz CCCKRIWGOXROAC-HOTGVXAUSA-N 1 3 313.461 2.191 20 0 DEADHO C[C@@H](F)CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001016329733 687592952 /nfs/dbraw/zinc/59/29/52/687592952.db2.gz MWIVYDPJOAXIQO-ZBFHGGJFSA-N 1 3 321.440 2.300 20 0 DEADHO C[C@@H](F)CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001016329733 687592956 /nfs/dbraw/zinc/59/29/56/687592956.db2.gz MWIVYDPJOAXIQO-ZBFHGGJFSA-N 1 3 321.440 2.300 20 0 DEADHO CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001375625598 1158832109 /nfs/dbraw/zinc/83/21/09/1158832109.db2.gz SMOFXGASRJTLPM-SFHVURJKSA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@H+]1CCC[C@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001375625598 1158832110 /nfs/dbraw/zinc/83/21/10/1158832110.db2.gz SMOFXGASRJTLPM-SFHVURJKSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)C[NH+]1CCC2(CCN(C(=O)CN(C)C(C)C)C2)CC1 ZINC001375627147 1158832474 /nfs/dbraw/zinc/83/24/74/1158832474.db2.gz GBUFYZNTDZGVLZ-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CCN1CC[C@@H]([NH2+]Cc2cc3c([nH]c2=O)CCCC3)[C@@H](C)C1 ZINC000866641103 687636316 /nfs/dbraw/zinc/63/63/16/687636316.db2.gz OOTFIVADXWHLGR-XJKSGUPXSA-N 1 3 303.450 2.486 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC)CC2 ZINC001016652735 687674510 /nfs/dbraw/zinc/67/45/10/687674510.db2.gz VZTYKBRQJOZSOH-HZPDHXFCSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC)CC2 ZINC001016652736 687674580 /nfs/dbraw/zinc/67/45/80/687674580.db2.gz VZTYKBRQJOZSOH-JKSUJKDBSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001016821046 687709965 /nfs/dbraw/zinc/70/99/65/687709965.db2.gz WXSKRSKRENYONV-IRXDYDNUSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001017550159 687909541 /nfs/dbraw/zinc/90/95/41/687909541.db2.gz SFXYZGBIMHPVPO-TVFCKZIOSA-N 1 3 319.493 2.192 20 0 DEADHO CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001017550159 687909544 /nfs/dbraw/zinc/90/95/44/687909544.db2.gz SFXYZGBIMHPVPO-TVFCKZIOSA-N 1 3 319.493 2.192 20 0 DEADHO CC[C@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[C@@H](C)C1 ZINC001017942921 688007245 /nfs/dbraw/zinc/00/72/45/688007245.db2.gz VMQQEZZESJWRPZ-VVLHAWIVSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[C@@H](C)C1 ZINC001017942921 688007250 /nfs/dbraw/zinc/00/72/50/688007250.db2.gz VMQQEZZESJWRPZ-VVLHAWIVSA-N 1 3 307.482 2.050 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c(C)c1 ZINC001018636578 688191477 /nfs/dbraw/zinc/19/14/77/688191477.db2.gz VXUDKRRXZNHYCG-ROUUACIJSA-N 1 3 315.461 2.088 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H](NCc2ccccc2F)C1)[NH+](C)C ZINC001019340738 688333017 /nfs/dbraw/zinc/33/30/17/688333017.db2.gz DNVRKLKSKFGIJR-DOTOQJQBSA-N 1 3 321.440 2.102 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001019381655 688343385 /nfs/dbraw/zinc/34/33/85/688343385.db2.gz OLBZKJGVSWWCPR-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1)N(C)C ZINC001019397222 688346841 /nfs/dbraw/zinc/34/68/41/688346841.db2.gz OYALFHQBXPYYKY-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC1(C)CCC(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001019438460 688356386 /nfs/dbraw/zinc/35/63/86/688356386.db2.gz NVGIRASRNGMVHS-HNNXBMFYSA-N 1 3 318.465 2.359 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]CC2CCCC2)C1 ZINC001025086000 688519267 /nfs/dbraw/zinc/51/92/67/688519267.db2.gz ZHMJXJIVUHBMNX-FUHWJXTLSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)[NH+]1CCC(CCNC(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000870955226 688694158 /nfs/dbraw/zinc/69/41/58/688694158.db2.gz QXDZXLNWHAPNKL-KRWDZBQOSA-N 1 3 307.482 2.240 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000870976328 688701251 /nfs/dbraw/zinc/70/12/51/688701251.db2.gz ZLLAVZHZQKZLIR-ACHSLPGTSA-N 1 3 301.434 2.009 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[N@H+](C)C(C)(C)CC2)c1 ZINC000871153773 688737272 /nfs/dbraw/zinc/73/72/72/688737272.db2.gz LFAJEKWFCUZJIY-UHFFFAOYSA-N 1 3 303.450 2.305 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[N@@H+](C)C(C)(C)CC2)c1 ZINC000871153773 688737274 /nfs/dbraw/zinc/73/72/74/688737274.db2.gz LFAJEKWFCUZJIY-UHFFFAOYSA-N 1 3 303.450 2.305 20 0 DEADHO C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccc([O-])c1F ZINC000872036258 688917774 /nfs/dbraw/zinc/91/77/74/688917774.db2.gz QQYLWQJANJMGQW-UONOGXRCSA-N 1 3 310.413 2.419 20 0 DEADHO C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc([O-])c1F ZINC000872036258 688917777 /nfs/dbraw/zinc/91/77/77/688917777.db2.gz QQYLWQJANJMGQW-UONOGXRCSA-N 1 3 310.413 2.419 20 0 DEADHO C[C@H](C(=O)NCc1ccccc1F)N(C)CCCCCC[NH3+] ZINC000872155430 688940331 /nfs/dbraw/zinc/94/03/31/688940331.db2.gz RMAHGNVBCZPGLS-CQSZACIVSA-N 1 3 309.429 2.281 20 0 DEADHO CC(C)OC[C@@H](O)C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000872205475 688952042 /nfs/dbraw/zinc/95/20/42/688952042.db2.gz IAUHGNLFVNYKAL-QRQLOZEOSA-N 1 3 320.477 2.273 20 0 DEADHO O[C@@]1(CNCC2SCCS2)CC[N@H+](Cc2ccccc2)C1 ZINC000872215724 688955349 /nfs/dbraw/zinc/95/53/49/688955349.db2.gz GWODKHHZEKUXAK-MRXNPFEDSA-N 1 3 324.515 2.019 20 0 DEADHO O[C@@]1(CNCC2SCCS2)CC[N@@H+](Cc2ccccc2)C1 ZINC000872215724 688955351 /nfs/dbraw/zinc/95/53/51/688955351.db2.gz GWODKHHZEKUXAK-MRXNPFEDSA-N 1 3 324.515 2.019 20 0 DEADHO CC[C@@H](C)CN1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001032472595 689159958 /nfs/dbraw/zinc/15/99/58/689159958.db2.gz ZPLQWOUWJUSJSE-IKGGRYGDSA-N 1 3 319.493 2.194 20 0 DEADHO c1c(CN2CCS[C@@H]3COCC[C@@H]32)sc2c1C[NH2+]CC2 ZINC000873208651 689183458 /nfs/dbraw/zinc/18/34/58/689183458.db2.gz ZPGOAENUGXIQOM-DZGCQCFKSA-N 1 3 310.488 2.100 20 0 DEADHO CC[C@H](C)CN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001032557863 689185777 /nfs/dbraw/zinc/18/57/77/689185777.db2.gz TZJUBUYUXOZTSG-JYJNAYRXSA-N 1 3 307.482 2.192 20 0 DEADHO COc1ccc([C@@H]2CN(C[C@H]3CC[NH2+][C@H](C)C3)CCO2)cc1 ZINC000873221212 689186765 /nfs/dbraw/zinc/18/67/65/689186765.db2.gz GXLVCEPPAOGHCV-VKJFTORMSA-N 1 3 304.434 2.457 20 0 DEADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001032558932 689186810 /nfs/dbraw/zinc/18/68/10/689186810.db2.gz OAXCRJUHECTIFA-HOTGVXAUSA-N 1 3 307.482 2.192 20 0 DEADHO C[C@H]([NH2+][C@@H](c1nnc[n-]1)c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000873272986 689199574 /nfs/dbraw/zinc/19/95/74/689199574.db2.gz XXTYEUJKVORLRA-XHDPSFHLSA-N 1 3 303.385 2.011 20 0 DEADHO c1cnc2cccc(CN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)c2c1 ZINC000873284968 689202817 /nfs/dbraw/zinc/20/28/17/689202817.db2.gz WJYFWOLMJCFSGH-BHIYHBOVSA-N 1 3 311.429 2.482 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCCC2)C1 ZINC001032782155 689259436 /nfs/dbraw/zinc/25/94/36/689259436.db2.gz WHYQKSOLWZXLQM-SQNIBIBYSA-N 1 3 319.493 2.194 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCCC2)C1 ZINC001032782155 689259439 /nfs/dbraw/zinc/25/94/39/689259439.db2.gz WHYQKSOLWZXLQM-SQNIBIBYSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)=CCN1CC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001033179814 689414300 /nfs/dbraw/zinc/41/43/00/689414300.db2.gz ADLPIAPREZJOMN-QGZVFWFLSA-N 1 3 319.493 2.361 20 0 DEADHO CN(C(=O)[C@H](C1CC1)N1CCCC1)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001033294611 689451910 /nfs/dbraw/zinc/45/19/10/689451910.db2.gz BNXGGIUUESBYFP-MSOLQXFVSA-N 1 3 319.493 2.194 20 0 DEADHO CN(C(=O)[C@H](C1CC1)N1CCCC1)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033294611 689451913 /nfs/dbraw/zinc/45/19/13/689451913.db2.gz BNXGGIUUESBYFP-MSOLQXFVSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)=CCN1CC[C@@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033295063 689452452 /nfs/dbraw/zinc/45/24/52/689452452.db2.gz HPWMQRHYQZJZCE-QZTJIDSGSA-N 1 3 319.493 2.360 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001033467350 689511703 /nfs/dbraw/zinc/51/17/03/689511703.db2.gz NJTSLUZVWTXUIA-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001033467350 689511705 /nfs/dbraw/zinc/51/17/05/689511705.db2.gz NJTSLUZVWTXUIA-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CCN(C(=O)[C@@H]1CCCN1C(C)C)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001033827577 689629552 /nfs/dbraw/zinc/62/95/52/689629552.db2.gz GJQBRCQSKFKFMB-IRXDYDNUSA-N 1 3 307.482 2.192 20 0 DEADHO CCN(C(=O)[C@@H]1CCCN1C(C)C)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001033827577 689629554 /nfs/dbraw/zinc/62/95/54/689629554.db2.gz GJQBRCQSKFKFMB-IRXDYDNUSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CC2)C1 ZINC001034285324 689795031 /nfs/dbraw/zinc/79/50/31/689795031.db2.gz BSBBEULAYHZLCK-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CC2)C1 ZINC001034285324 689795035 /nfs/dbraw/zinc/79/50/35/689795035.db2.gz BSBBEULAYHZLCK-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000876765788 689930506 /nfs/dbraw/zinc/93/05/06/689930506.db2.gz XUDPNHRHGKGJGG-IGOGLPMZSA-N 1 3 315.461 2.035 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CC(C)(C)[NH3+] ZINC000877033067 690003139 /nfs/dbraw/zinc/00/31/39/690003139.db2.gz QRZXEQQLHRNDIU-GDBMZVCRSA-N 1 3 301.434 2.257 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001035062361 690023164 /nfs/dbraw/zinc/02/31/64/690023164.db2.gz HRZBNZIASQPPNI-MRXNPFEDSA-N 1 3 304.438 2.113 20 0 DEADHO CC[NH2+]CC(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000877130559 690025960 /nfs/dbraw/zinc/02/59/60/690025960.db2.gz MPHSAYIYQLUAFS-ZDUSSCGKSA-N 1 3 317.355 2.034 20 0 DEADHO O=C(CN1CCCC1)N1CCC[C@@H]1C[NH2+]Cc1ccccc1F ZINC001035125559 690033759 /nfs/dbraw/zinc/03/37/59/690033759.db2.gz JLFMWZBZIZTRNP-MRXNPFEDSA-N 1 3 319.424 2.002 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001035166556 690046328 /nfs/dbraw/zinc/04/63/28/690046328.db2.gz QBHSQUGJYWCISR-DLBZAZTESA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001035166556 690046331 /nfs/dbraw/zinc/04/63/31/690046331.db2.gz QBHSQUGJYWCISR-DLBZAZTESA-N 1 3 321.509 2.441 20 0 DEADHO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000877345999 690083654 /nfs/dbraw/zinc/08/36/54/690083654.db2.gz FOXXPAONAIWASL-FGTMMUONSA-N 1 3 315.461 2.115 20 0 DEADHO CC(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H](C1CC1)N(C)C)CC2 ZINC001035720813 690161079 /nfs/dbraw/zinc/16/10/79/690161079.db2.gz NMRIQSAQDJOFAE-KRWDZBQOSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001035722668 690161754 /nfs/dbraw/zinc/16/17/54/690161754.db2.gz YYLRMXADPYGUTP-INIZCTEOSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001035850709 690193290 /nfs/dbraw/zinc/19/32/90/690193290.db2.gz BMQUFYPWNFFSQV-MRXNPFEDSA-N 1 3 307.482 2.053 20 0 DEADHO CN1CC[NH+](C2CCN(Cc3ccc4cc[nH]c4c3)CC2)CC1 ZINC000877746999 690213807 /nfs/dbraw/zinc/21/38/07/690213807.db2.gz QWVQEYJYDIBAIU-UHFFFAOYSA-N 1 3 312.461 2.380 20 0 DEADHO CN1CC[NH+](C2CCN(Cc3ccnc4ccccc34)CC2)CC1 ZINC000877747385 690214122 /nfs/dbraw/zinc/21/41/22/690214122.db2.gz JJTRQFODMCUTBV-UHFFFAOYSA-N 1 3 324.472 2.447 20 0 DEADHO CC(C)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C ZINC001036181801 690283934 /nfs/dbraw/zinc/28/39/34/690283934.db2.gz JKWZLWCUNKLQAM-JKSUJKDBSA-N 1 3 309.498 2.201 20 0 DEADHO CN1CCCC[C@H]1CC[N@H+](C)C[C@H](O)CC1(O)CCCCC1 ZINC000878134776 690320462 /nfs/dbraw/zinc/32/04/62/690320462.db2.gz GYBWURNSNBHBTH-DLBZAZTESA-N 1 3 312.498 2.239 20 0 DEADHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@H](O)CC1(O)CCCCC1 ZINC000878134776 690320466 /nfs/dbraw/zinc/32/04/66/690320466.db2.gz GYBWURNSNBHBTH-DLBZAZTESA-N 1 3 312.498 2.239 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)C3CCC3)CC[C@@H]21 ZINC001036736810 690453110 /nfs/dbraw/zinc/45/31/10/690453110.db2.gz GYWFUUFWJOLQGE-WMZOPIPTSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H]2CN(C(=O)CN(C)C3CCC3)CC[C@@H]21 ZINC001036736810 690453113 /nfs/dbraw/zinc/45/31/13/690453113.db2.gz GYWFUUFWJOLQGE-WMZOPIPTSA-N 1 3 321.509 2.440 20 0 DEADHO CN1CC[C@]2(C1)CCC[N@H+](C[C@@H]1CCC3(CCOCC3)CO1)C2 ZINC000878662109 690470332 /nfs/dbraw/zinc/47/03/32/690470332.db2.gz MLDXUNIJYLLTCQ-HKUYNNGSSA-N 1 3 322.493 2.380 20 0 DEADHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@@H]1CCC3(CCOCC3)CO1)C2 ZINC000878662109 690470335 /nfs/dbraw/zinc/47/03/35/690470335.db2.gz MLDXUNIJYLLTCQ-HKUYNNGSSA-N 1 3 322.493 2.380 20 0 DEADHO C[NH+]1CCC2(CCN(C[C@@H](O)c3ccc(F)cc3F)C2)CC1 ZINC000878864457 690516874 /nfs/dbraw/zinc/51/68/74/690516874.db2.gz CFRSZRNPHPLXMU-MRXNPFEDSA-N 1 3 310.388 2.416 20 0 DEADHO CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001037119975 690573607 /nfs/dbraw/zinc/57/36/07/690573607.db2.gz FIQDLORHJZDRQN-DLBZAZTESA-N 1 3 303.450 2.256 20 0 DEADHO COc1ccc([C@@H]2CN(CC[C@@H]3CCC[N@@H+]3C)CCN2)cc1 ZINC000879519959 690660017 /nfs/dbraw/zinc/66/00/17/690660017.db2.gz CLINLOAOWWQDIF-WMZOPIPTSA-N 1 3 303.450 2.126 20 0 DEADHO COc1ccc([C@@H]2CN(CC[C@@H]3CCC[N@H+]3C)CCN2)cc1 ZINC000879519959 690660018 /nfs/dbraw/zinc/66/00/18/690660018.db2.gz CLINLOAOWWQDIF-WMZOPIPTSA-N 1 3 303.450 2.126 20 0 DEADHO COc1cccc([C@@H]2CN(CCCc3cncn3C)CC[NH2+]2)c1 ZINC000879523019 690661101 /nfs/dbraw/zinc/66/11/01/690661101.db2.gz RETXRRVJKOIRFO-SFHVURJKSA-N 1 3 314.433 2.008 20 0 DEADHO COc1cccc([C@@H]2C[N@H+](CCCc3cncn3C)CCN2)c1 ZINC000879523019 690661104 /nfs/dbraw/zinc/66/11/04/690661104.db2.gz RETXRRVJKOIRFO-SFHVURJKSA-N 1 3 314.433 2.008 20 0 DEADHO COc1cccc([C@@H]2C[N@@H+](CCCc3cncn3C)CCN2)c1 ZINC000879523019 690661106 /nfs/dbraw/zinc/66/11/06/690661106.db2.gz RETXRRVJKOIRFO-SFHVURJKSA-N 1 3 314.433 2.008 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H]3CSC[C@H]3C2)CC1 ZINC000879563511 690671492 /nfs/dbraw/zinc/67/14/92/690671492.db2.gz CZORXVZDLHJJCR-DLBZAZTESA-N 1 3 311.539 2.087 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H]3CSC[C@H]3C2)CC1 ZINC000879563511 690671494 /nfs/dbraw/zinc/67/14/94/690671494.db2.gz CZORXVZDLHJJCR-DLBZAZTESA-N 1 3 311.539 2.087 20 0 DEADHO O=C(NC[C@H]1CCN1CC1CC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038247163 690755887 /nfs/dbraw/zinc/75/58/87/690755887.db2.gz HFPNCCQYONIFDW-FUHWJXTLSA-N 1 3 319.493 2.242 20 0 DEADHO O=C(NC[C@H]1CCN1CC1CC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038247163 690755890 /nfs/dbraw/zinc/75/58/90/690755890.db2.gz HFPNCCQYONIFDW-FUHWJXTLSA-N 1 3 319.493 2.242 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1CC1CCC1 ZINC001038440509 690823534 /nfs/dbraw/zinc/82/35/34/690823534.db2.gz CXKXCAAURJWICF-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1CC1CCC1 ZINC001038440509 690823537 /nfs/dbraw/zinc/82/35/37/690823537.db2.gz CXKXCAAURJWICF-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCN2CC2CCC2)C1 ZINC001038623237 690878911 /nfs/dbraw/zinc/87/89/11/690878911.db2.gz KANJXTKBBXJEOZ-IAGOWNOFSA-N 1 3 307.482 2.099 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CCN2CC2CCC2)C1 ZINC001038623237 690878915 /nfs/dbraw/zinc/87/89/15/690878915.db2.gz KANJXTKBBXJEOZ-IAGOWNOFSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCN2CC2CC(C)C2)CC1 ZINC001038867649 690949218 /nfs/dbraw/zinc/94/92/18/690949218.db2.gz AQDRSBNETHNMHF-LEOMRAHMSA-N 1 3 321.509 2.343 20 0 DEADHO O=C(NC[C@H]1CCN1CCC1CCCCC1)C12CC[NH+](CC1)C2 ZINC001038925766 690968462 /nfs/dbraw/zinc/96/84/62/690968462.db2.gz LABPJVGMFHHTEX-QGZVFWFLSA-N 1 3 319.493 2.243 20 0 DEADHO CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039165689 691037668 /nfs/dbraw/zinc/03/76/68/691037668.db2.gz RHOYHPYTVUKPEO-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039165689 691037669 /nfs/dbraw/zinc/03/76/69/691037669.db2.gz RHOYHPYTVUKPEO-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCC[C@H]1C ZINC001039298199 691076642 /nfs/dbraw/zinc/07/66/42/691076642.db2.gz OSSNTEWMJJAMQK-MGNMYUMUSA-N 1 3 307.482 2.382 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040241829 691218905 /nfs/dbraw/zinc/21/89/05/691218905.db2.gz TXAQKHUGZMHXNC-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[N@H+]1CCC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040241829 691218906 /nfs/dbraw/zinc/21/89/06/691218906.db2.gz TXAQKHUGZMHXNC-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040241359 691219406 /nfs/dbraw/zinc/21/94/06/691219406.db2.gz NOZWIXJJAYWKNW-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[N@H+]1CCC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040241359 691219409 /nfs/dbraw/zinc/21/94/09/691219409.db2.gz NOZWIXJJAYWKNW-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CCCF)C2)N(C)C ZINC001040262364 691222008 /nfs/dbraw/zinc/22/20/08/691222008.db2.gz SOUBUAKAPUBTHQ-NVXWUHKLSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCCF)C2)N(C)C ZINC001040262364 691222012 /nfs/dbraw/zinc/22/20/12/691222012.db2.gz SOUBUAKAPUBTHQ-NVXWUHKLSA-N 1 3 313.461 2.001 20 0 DEADHO COc1ccccc1C[C@@](C)(CO)NCC[C@@H]1CCC[N@@H+]1C ZINC000931602064 694436453 /nfs/dbraw/zinc/43/64/53/694436453.db2.gz AULGMAUBBGZTOZ-WMZOPIPTSA-N 1 3 306.450 2.063 20 0 DEADHO COc1ccccc1C[C@@](C)(CO)NCC[C@@H]1CCC[N@H+]1C ZINC000931602064 694436458 /nfs/dbraw/zinc/43/64/58/694436458.db2.gz AULGMAUBBGZTOZ-WMZOPIPTSA-N 1 3 306.450 2.063 20 0 DEADHO CC(C)C[N@@H+]1CC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041356181 691366510 /nfs/dbraw/zinc/36/65/10/691366510.db2.gz UPDDKDWGTWXESN-KRWDZBQOSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)C[N@H+]1CC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041356181 691366513 /nfs/dbraw/zinc/36/65/13/691366513.db2.gz UPDDKDWGTWXESN-KRWDZBQOSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)C[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001041666983 691407688 /nfs/dbraw/zinc/40/76/88/691407688.db2.gz BCHPUZCLCKLNHY-IBGZPJMESA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)C[N@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001041666983 691407692 /nfs/dbraw/zinc/40/76/92/691407692.db2.gz BCHPUZCLCKLNHY-IBGZPJMESA-N 1 3 321.509 2.299 20 0 DEADHO COC[C@H](NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCCOC1 ZINC000883173385 691447588 /nfs/dbraw/zinc/44/75/88/691447588.db2.gz JWBQMEAAJUDXKF-TVFCKZIOSA-N 1 3 312.498 2.386 20 0 DEADHO C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCC2(CCOCC2)CO1 ZINC000883254160 691466754 /nfs/dbraw/zinc/46/67/54/691466754.db2.gz LSKHDIABOOKWLG-GVDBMIGSSA-N 1 3 308.466 2.179 20 0 DEADHO C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCC2(CCOCC2)CO1 ZINC000883254160 691466757 /nfs/dbraw/zinc/46/67/57/691466757.db2.gz LSKHDIABOOKWLG-GVDBMIGSSA-N 1 3 308.466 2.179 20 0 DEADHO NCC12CCC(CC1)C[N@@H+]2C[C@@H]1CCC2(CCOCC2)CO1 ZINC000883435499 691509503 /nfs/dbraw/zinc/50/95/03/691509503.db2.gz UWVBWWUJKKLHPC-PQUAAJSLSA-N 1 3 308.466 2.166 20 0 DEADHO NCC12CCC(CC1)C[N@H+]2C[C@@H]1CCC2(CCOCC2)CO1 ZINC000883435499 691509505 /nfs/dbraw/zinc/50/95/05/691509505.db2.gz UWVBWWUJKKLHPC-PQUAAJSLSA-N 1 3 308.466 2.166 20 0 DEADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@H](N)CC2CC2)c1 ZINC000884187656 691677713 /nfs/dbraw/zinc/67/77/13/691677713.db2.gz LDWXBMQTMVACPP-QGZVFWFLSA-N 1 3 303.450 2.272 20 0 DEADHO C[NH2+][C@@H](CC(C)C)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000884193584 691678970 /nfs/dbraw/zinc/67/89/70/691678970.db2.gz JQEJOBHOHJRIPJ-HNNXBMFYSA-N 1 3 307.438 2.329 20 0 DEADHO C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000884314839 691707963 /nfs/dbraw/zinc/70/79/63/691707963.db2.gz XTFPZAYVFMQKJC-BPQIPLTHSA-N 1 3 317.477 2.257 20 0 DEADHO CC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001044869461 691899837 /nfs/dbraw/zinc/89/98/37/691899837.db2.gz ZWORWUWLVVBHEO-PBHICJAKSA-N 1 3 303.450 2.351 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccsc1)N(C)C ZINC001045079725 691935810 /nfs/dbraw/zinc/93/58/10/691935810.db2.gz PJYHAAAJMGLWPX-HOTGVXAUSA-N 1 3 323.506 2.415 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1)N(C)C ZINC001045089684 691936676 /nfs/dbraw/zinc/93/66/76/691936676.db2.gz LJPORYUBODUXEB-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO Cc1cccc(C[NH2+]C[C@@H]2CCCN2C(=O)Cc2c[nH]cn2)c1 ZINC001045218749 691953257 /nfs/dbraw/zinc/95/32/57/691953257.db2.gz ZRFIBELNTHTOSW-KRWDZBQOSA-N 1 3 312.417 2.041 20 0 DEADHO CCN1CCN(CCC[NH2+]C/C=C\c2cccc(F)c2)CC1 ZINC000885922525 691962967 /nfs/dbraw/zinc/96/29/67/691962967.db2.gz DFQOWBVBJYVAEE-DAXSKMNVSA-N 1 3 305.441 2.456 20 0 DEADHO C[C@H]1CN(CCOC2CCCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000886098841 692003718 /nfs/dbraw/zinc/00/37/18/692003718.db2.gz RQWBVOFVARVQKR-HKUYNNGSSA-N 1 3 323.525 2.294 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1)N(C)C ZINC001045841575 692034549 /nfs/dbraw/zinc/03/45/49/692034549.db2.gz CLAJQVLXVOXDQG-FGTMMUONSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1)N(C)C ZINC001045841575 692034552 /nfs/dbraw/zinc/03/45/52/692034552.db2.gz CLAJQVLXVOXDQG-FGTMMUONSA-N 1 3 321.509 2.438 20 0 DEADHO O[C@@H]1CC[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)CC[C@@H]1O ZINC000886261750 692038280 /nfs/dbraw/zinc/03/82/80/692038280.db2.gz BHDVIOVXOSVMLC-GJWQZFMSSA-N 1 3 310.482 2.038 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@@]2(CC[N@@H+](C(C)C)C2)C1)N(C)C ZINC001045946956 692059986 /nfs/dbraw/zinc/05/99/86/692059986.db2.gz GDMQCSKNTIFZQJ-AEFFLSMTSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@@]2(CC[N@H+](C(C)C)C2)C1)N(C)C ZINC001045946956 692059989 /nfs/dbraw/zinc/05/99/89/692059989.db2.gz GDMQCSKNTIFZQJ-AEFFLSMTSA-N 1 3 309.498 2.440 20 0 DEADHO COC(=O)c1cncc([C@@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000886501391 692094278 /nfs/dbraw/zinc/09/42/78/692094278.db2.gz ITCCNRMVGJTYAX-CHWSQXEVSA-N 1 3 303.406 2.003 20 0 DEADHO CN1CCN(c2cc(C[NH2+][C@H]3CCc4cccnc43)ccn2)CC1 ZINC000886505109 692095433 /nfs/dbraw/zinc/09/54/33/692095433.db2.gz LYHKGNXMGFCRHO-KRWDZBQOSA-N 1 3 323.444 2.006 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000886541396 692104595 /nfs/dbraw/zinc/10/45/95/692104595.db2.gz VRSWONKYAONJGU-BEFAXECRSA-N 1 3 315.461 2.280 20 0 DEADHO OC[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CC1 ZINC000886548066 692106628 /nfs/dbraw/zinc/10/66/28/692106628.db2.gz WREAONRVEURDSY-WNHJNPCNSA-N 1 3 300.446 2.400 20 0 DEADHO C([C@@H]1CCC2(CCOCC2)O1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886876177 692218527 /nfs/dbraw/zinc/21/85/27/692218527.db2.gz SLNOXLXRUYIPKY-IRXDYDNUSA-N 1 3 308.466 2.180 20 0 DEADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C[C@H](O)Cc1ccccc1 ZINC000887135068 692288216 /nfs/dbraw/zinc/28/82/16/692288216.db2.gz VRVCCENRDAOPIA-QFBILLFUSA-N 1 3 311.429 2.196 20 0 DEADHO C[C@H]([NH2+]CC1CCC1)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047869752 692503819 /nfs/dbraw/zinc/50/38/19/692503819.db2.gz RSMVJDVAZAGZMP-HOCLYGCPSA-N 1 3 307.482 2.097 20 0 DEADHO CC[NH2+]C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001048481188 692627569 /nfs/dbraw/zinc/62/75/69/692627569.db2.gz YGXLVYXSKVVDSE-YOEHRIQHSA-N 1 3 303.450 2.066 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CCCC3)C[C@@H]2C1)N(C)C ZINC001049039055 692749693 /nfs/dbraw/zinc/74/96/93/692749693.db2.gz NOWWXOGETJKMGH-FGTMMUONSA-N 1 3 321.509 2.153 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CC3CCCC3)C[C@@H]2C1)N(C)C ZINC001049039055 692749697 /nfs/dbraw/zinc/74/96/97/692749697.db2.gz NOWWXOGETJKMGH-FGTMMUONSA-N 1 3 321.509 2.153 20 0 DEADHO CC(C)CC[N@H+]1C[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C1 ZINC001049132598 692770814 /nfs/dbraw/zinc/77/08/14/692770814.db2.gz VCMHWGFFLKGHGE-HDICACEKSA-N 1 3 321.509 2.155 20 0 DEADHO CC(C)CC[N@@H+]1C[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C1 ZINC001049132598 692770816 /nfs/dbraw/zinc/77/08/16/692770816.db2.gz VCMHWGFFLKGHGE-HDICACEKSA-N 1 3 321.509 2.155 20 0 DEADHO CCCC[N@H+]1C[C@H]2CN(C(=O)CN3[C@H](C)CC[C@H]3C)C[C@H]2C1 ZINC001049231498 692795544 /nfs/dbraw/zinc/79/55/44/692795544.db2.gz CMONMVRJPISCNA-VQHPVUNQSA-N 1 3 307.482 2.050 20 0 DEADHO CCCC[N@@H+]1C[C@H]2CN(C(=O)CN3[C@H](C)CC[C@H]3C)C[C@H]2C1 ZINC001049231498 692795548 /nfs/dbraw/zinc/79/55/48/692795548.db2.gz CMONMVRJPISCNA-VQHPVUNQSA-N 1 3 307.482 2.050 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCN1C(C)C ZINC001049463789 692890518 /nfs/dbraw/zinc/89/05/18/692890518.db2.gz JIZKUIMIGZBLMF-BRWVUGGUSA-N 1 3 307.482 2.335 20 0 DEADHO CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCN1C(C)C ZINC001049463789 692890522 /nfs/dbraw/zinc/89/05/22/692890522.db2.gz JIZKUIMIGZBLMF-BRWVUGGUSA-N 1 3 307.482 2.335 20 0 DEADHO CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049478980 692895934 /nfs/dbraw/zinc/89/59/34/692895934.db2.gz WIBJBFIRORAVJV-CVEARBPZSA-N 1 3 307.482 2.336 20 0 DEADHO CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049478980 692895936 /nfs/dbraw/zinc/89/59/36/692895936.db2.gz WIBJBFIRORAVJV-CVEARBPZSA-N 1 3 307.482 2.336 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC1CC1)N(C)C ZINC001049698056 692968250 /nfs/dbraw/zinc/96/82/50/692968250.db2.gz BISMPXCSRDLFMY-RCCFBDPRSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC1CC1)N(C)C ZINC001049698056 692968254 /nfs/dbraw/zinc/96/82/54/692968254.db2.gz BISMPXCSRDLFMY-RCCFBDPRSA-N 1 3 321.509 2.438 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049845635 693019846 /nfs/dbraw/zinc/01/98/46/693019846.db2.gz BDYLEXWHEWUXMM-UONOGXRCSA-N 1 3 304.438 2.163 20 0 DEADHO CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049845635 693019847 /nfs/dbraw/zinc/01/98/47/693019847.db2.gz BDYLEXWHEWUXMM-UONOGXRCSA-N 1 3 304.438 2.163 20 0 DEADHO CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(CN(C)C)c1 ZINC001049913043 693046220 /nfs/dbraw/zinc/04/62/20/693046220.db2.gz SWYJZHBNAVCHTB-MSOLQXFVSA-N 1 3 315.461 2.447 20 0 DEADHO CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(CN(C)C)c1 ZINC001049913043 693046221 /nfs/dbraw/zinc/04/62/21/693046221.db2.gz SWYJZHBNAVCHTB-MSOLQXFVSA-N 1 3 315.461 2.447 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@H]2C[N@@H+](C(C)C)C[C@H]21 ZINC001050046483 693091080 /nfs/dbraw/zinc/09/10/80/693091080.db2.gz GUCDOOQADKRMGJ-YESZJQIVSA-N 1 3 307.482 2.190 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@H]2C[N@H+](C(C)C)C[C@H]21 ZINC001050046483 693091083 /nfs/dbraw/zinc/09/10/83/693091083.db2.gz GUCDOOQADKRMGJ-YESZJQIVSA-N 1 3 307.482 2.190 20 0 DEADHO CC(C)C[NH+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)CC1 ZINC001050554541 693206003 /nfs/dbraw/zinc/20/60/03/693206003.db2.gz YVGGKRRWAHTHIY-INIZCTEOSA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)CC[NH+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001050663034 693226904 /nfs/dbraw/zinc/22/69/04/693226904.db2.gz QBDNSWMHSYMDEN-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)CCN1CCC([NH2+]C[C@H](C)CN2CCOCC2)CC1 ZINC000925112297 693227845 /nfs/dbraw/zinc/22/78/45/693227845.db2.gz LWAGDVCOMJINFP-KRWDZBQOSA-N 1 3 311.514 2.055 20 0 DEADHO C[C@@H]1CC2(CC([NH2+]CCCCN3C[C@@H](C)O[C@@H](C)C3)C2)CO1 ZINC000925440501 693273848 /nfs/dbraw/zinc/27/38/48/693273848.db2.gz SNDPKDLYQWKIAC-ZGOKBZQCSA-N 1 3 310.482 2.423 20 0 DEADHO O[C@H](CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)Cc1ccccc1 ZINC000925499439 693283591 /nfs/dbraw/zinc/28/35/91/693283591.db2.gz PGBNMYLLJAHABO-FHWLQOOXSA-N 1 3 302.462 2.348 20 0 DEADHO N[C@@H]1C[C@@H]([NH2+]CCc2ccn(-c3ccc(F)cc3)n2)C12CCC2 ZINC000925524572 693288730 /nfs/dbraw/zinc/28/87/30/693288730.db2.gz VQECNDACIXOXON-IAGOWNOFSA-N 1 3 314.408 2.413 20 0 DEADHO c1cnc2c(c1)CCC[C@@H]2N[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000925871892 693357616 /nfs/dbraw/zinc/35/76/16/693357616.db2.gz LDDWNQOWYFFSKQ-YVSFHVDLSA-N 1 3 301.434 2.206 20 0 DEADHO C[C@H](NC[C@@H]1CN(C2CC2)C(=O)O1)c1cccc(C[NH+](C)C)c1 ZINC000926674144 693490435 /nfs/dbraw/zinc/49/04/35/693490435.db2.gz MQMZEKGIUKENCG-SUMWQHHRSA-N 1 3 317.433 2.382 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](N[C@@H](C)c1ccns1)C2 ZINC000926879133 693523460 /nfs/dbraw/zinc/52/34/60/693523460.db2.gz IQBBUNLLQBWAGT-HJORKGSMSA-N 1 3 309.479 2.273 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](N[C@@H](C)c1ccns1)C2 ZINC000926879133 693523465 /nfs/dbraw/zinc/52/34/65/693523465.db2.gz IQBBUNLLQBWAGT-HJORKGSMSA-N 1 3 309.479 2.273 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)C/C=C\Cl)C1)N(C)C ZINC001402397050 1162344201 /nfs/dbraw/zinc/34/42/01/1162344201.db2.gz VUSAAWBMFXBSLQ-MJYKILKPSA-N 1 3 315.889 2.250 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H](C[N@@H+](C)C/C=C\Cl)C1)N(C)C ZINC001402397050 1162344206 /nfs/dbraw/zinc/34/42/06/1162344206.db2.gz VUSAAWBMFXBSLQ-MJYKILKPSA-N 1 3 315.889 2.250 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC2CCC([NH2+]C/C=C\Cl)CC2)C1 ZINC001402831129 1162488136 /nfs/dbraw/zinc/48/81/36/1162488136.db2.gz UOBGETDKJNZJNG-JEQSFKKDSA-N 1 3 313.873 2.098 20 0 DEADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CC1CCCCCC1 ZINC001379238587 1152595389 /nfs/dbraw/zinc/59/53/89/1152595389.db2.gz FKILCDCVJOSDCE-AWEZNQCLSA-N 1 3 306.454 2.359 20 0 DEADHO CC[C@H](C(=O)NC1(C2CC[NH+](CCCF)CC2)CC1)N(C)C ZINC001380188391 1152765046 /nfs/dbraw/zinc/76/50/46/1152765046.db2.gz KGYHYHICBOZCDI-OAHLLOKOSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]Cc2ccccc2)C1)N(C)C ZINC001380424746 1152810281 /nfs/dbraw/zinc/81/02/81/1152810281.db2.gz RFIGQJGEHHWDSY-PKOBYXMFSA-N 1 3 317.477 2.355 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2CCC[N@H+](CC3CCC3)CC2)CCC1 ZINC001380930811 1152879712 /nfs/dbraw/zinc/87/97/12/1152879712.db2.gz MLOFPVCFNMXWHJ-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2CCC[N@@H+](CC3CCC3)CC2)CCC1 ZINC001380930811 1152879714 /nfs/dbraw/zinc/87/97/14/1152879714.db2.gz MLOFPVCFNMXWHJ-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@H](F)CN(C)CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001380991431 1152890985 /nfs/dbraw/zinc/89/09/85/1152890985.db2.gz ZAJWVZWHGHYZDH-JKSUJKDBSA-N 1 3 315.477 2.389 20 0 DEADHO CC[C@H](F)CN(C)CCCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001380991431 1152890986 /nfs/dbraw/zinc/89/09/86/1152890986.db2.gz ZAJWVZWHGHYZDH-JKSUJKDBSA-N 1 3 315.477 2.389 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001381028258 1152894807 /nfs/dbraw/zinc/89/48/07/1152894807.db2.gz BFKCXECLWGKDQR-IBGZPJMESA-N 1 3 321.509 2.443 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001381028258 1152894808 /nfs/dbraw/zinc/89/48/08/1152894808.db2.gz BFKCXECLWGKDQR-IBGZPJMESA-N 1 3 321.509 2.443 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C2(N(C)C)CCCC2)C1 ZINC001362527787 1152958933 /nfs/dbraw/zinc/95/89/33/1152958933.db2.gz HWKRAADJPXQGQM-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C2(N(C)C)CCCC2)C1 ZINC001362527787 1152958935 /nfs/dbraw/zinc/95/89/35/1152958935.db2.gz HWKRAADJPXQGQM-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)CCC[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001381305207 1152998804 /nfs/dbraw/zinc/99/88/04/1152998804.db2.gz ZNABHBNUSPAYFJ-INIZCTEOSA-N 1 3 306.454 2.311 20 0 DEADHO CC(C)CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001381305207 1152998807 /nfs/dbraw/zinc/99/88/07/1152998807.db2.gz ZNABHBNUSPAYFJ-INIZCTEOSA-N 1 3 306.454 2.311 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC001362854355 1153116429 /nfs/dbraw/zinc/11/64/29/1153116429.db2.gz IVVGXKIHBYYARW-OIISXLGYSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)CCC1CC1 ZINC001381590420 1153143373 /nfs/dbraw/zinc/14/33/73/1153143373.db2.gz PKRDNLKXSJASED-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)CCC1CC1 ZINC001381590420 1153143377 /nfs/dbraw/zinc/14/33/77/1153143377.db2.gz PKRDNLKXSJASED-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H](NC(=O)CN1CC[C@@H](C)C1)C1C[NH+](CC2CCCCC2)C1 ZINC001381818126 1153237217 /nfs/dbraw/zinc/23/72/17/1153237217.db2.gz DRSYJJYMZBJUQH-HZPDHXFCSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C1C[NH+](CC2CCCCC2)C1 ZINC001381832289 1153242792 /nfs/dbraw/zinc/24/27/92/1153242792.db2.gz WIFNGZMNDIBACQ-OAHLLOKOSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001381939127 1153281472 /nfs/dbraw/zinc/28/14/72/1153281472.db2.gz VYQSCDRIDSAGMR-BBWFWOEESA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001381939127 1153281478 /nfs/dbraw/zinc/28/14/78/1153281478.db2.gz VYQSCDRIDSAGMR-BBWFWOEESA-N 1 3 309.498 2.199 20 0 DEADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001382163309 1153383634 /nfs/dbraw/zinc/38/36/34/1153383634.db2.gz VZJNOAQDGXRJEM-INIZCTEOSA-N 1 3 305.466 2.273 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCC2CCCC2)[C@H]1C ZINC001382299375 1153416168 /nfs/dbraw/zinc/41/61/68/1153416168.db2.gz AQUIANFKIGMMGY-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]Cc2ccccc2)C[C@@H]1C ZINC001382312918 1153421028 /nfs/dbraw/zinc/42/10/28/1153421028.db2.gz MPYZYYKIVICNJP-DOTOQJQBSA-N 1 3 303.450 2.106 20 0 DEADHO COC(=O)C1CC([NH2+]C[C@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC001363676019 1153548334 /nfs/dbraw/zinc/54/83/34/1153548334.db2.gz JAKNNFPDGLHJCY-VNCIIQTRSA-N 1 3 316.445 2.296 20 0 DEADHO COC(=O)C1CC([NH2+]C[C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC001363676025 1153549142 /nfs/dbraw/zinc/54/91/42/1153549142.db2.gz JAKNNFPDGLHJCY-YKWDICOMSA-N 1 3 316.445 2.296 20 0 DEADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)NC/C=C/Cl ZINC001402972134 1162588839 /nfs/dbraw/zinc/58/88/39/1162588839.db2.gz WMMDFJBMGCEFJZ-RNVIBTMRSA-N 1 3 315.889 2.345 20 0 DEADHO CCc1ccc(C[NH2+][C@@H](C)CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001403011270 1162623853 /nfs/dbraw/zinc/62/38/53/1162623853.db2.gz UQRGIPWPNLJJGL-CVEARBPZSA-N 1 3 317.477 2.185 20 0 DEADHO CN(C[C@@H]1CCN1CC1CC1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001388636624 1155050189 /nfs/dbraw/zinc/05/01/89/1155050189.db2.gz GVIBGUPCURPXFM-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C[C@H]1CCN1CCC1CC1)[NH+]1CCCC1 ZINC001388668554 1155062315 /nfs/dbraw/zinc/06/23/15/1155062315.db2.gz ZCRWVGYEQFPCAF-QZTJIDSGSA-N 1 3 321.509 2.440 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001388698903 1155069878 /nfs/dbraw/zinc/06/98/78/1155069878.db2.gz GZFDGMOUMRXEBC-IYBDPMFKSA-N 1 3 318.465 2.325 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1CC1)C1CC1 ZINC001389679663 1155394638 /nfs/dbraw/zinc/39/46/38/1155394638.db2.gz XQYYGOPJWWZZNW-DLBZAZTESA-N 1 3 307.482 2.144 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001389825026 1155444252 /nfs/dbraw/zinc/44/42/52/1155444252.db2.gz ILFCRDSRBINRHF-KRWDZBQOSA-N 1 3 321.440 2.187 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CCCF)N1CCCCCC1 ZINC001391068642 1156082773 /nfs/dbraw/zinc/08/27/73/1156082773.db2.gz MEGLEEPBQJGVEH-JKSUJKDBSA-N 1 3 313.461 2.191 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CCCF)N1CCCCCC1 ZINC001391068642 1156082776 /nfs/dbraw/zinc/08/27/76/1156082776.db2.gz MEGLEEPBQJGVEH-JKSUJKDBSA-N 1 3 313.461 2.191 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1)N(C)C ZINC001391109144 1156120371 /nfs/dbraw/zinc/12/03/71/1156120371.db2.gz JNRPMNQVJABORV-RDJZCZTQSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1)N(C)C ZINC001391109144 1156120373 /nfs/dbraw/zinc/12/03/73/1156120373.db2.gz JNRPMNQVJABORV-RDJZCZTQSA-N 1 3 321.509 2.345 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](CCC1CC1)C1CC1 ZINC001391201882 1156250924 /nfs/dbraw/zinc/25/09/24/1156250924.db2.gz WQWQUGVNUHCBRZ-KRWDZBQOSA-N 1 3 307.482 2.242 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](CCC1CC1)C1CC1 ZINC001391201882 1156250928 /nfs/dbraw/zinc/25/09/28/1156250928.db2.gz WQWQUGVNUHCBRZ-KRWDZBQOSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCN1C)c1ccc(F)cc1 ZINC001391220759 1156261218 /nfs/dbraw/zinc/26/12/18/1156261218.db2.gz XLMMTTGEXRKJEA-CJNGLKHVSA-N 1 3 307.413 2.029 20 0 DEADHO COc1cccc([C@H](C)[NH2+]CCN(C)C(=O)CN(C)C(C)C)c1 ZINC001391226149 1156264141 /nfs/dbraw/zinc/26/41/41/1156264141.db2.gz MADNKUMKHJYHCQ-HNNXBMFYSA-N 1 3 321.465 2.144 20 0 DEADHO CCCN(C)CC(=O)NCC1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001391514092 1156481185 /nfs/dbraw/zinc/48/11/85/1156481185.db2.gz HHMGJBOVTMACCT-HNNXBMFYSA-N 1 3 303.450 2.137 20 0 DEADHO CC(C)C[C@H](C)C[N@@H+]1CC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001372682258 1156680674 /nfs/dbraw/zinc/68/06/74/1156680674.db2.gz NURZNHWBXMTSGW-DLBZAZTESA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)C[C@H](C)C[N@H+]1CC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001372682258 1156680687 /nfs/dbraw/zinc/68/06/87/1156680687.db2.gz NURZNHWBXMTSGW-DLBZAZTESA-N 1 3 311.514 2.447 20 0 DEADHO CC[C@@H](CNC(=O)[C@H]1CCCN1C(C)C)[NH2+]CCC(F)(F)F ZINC001391698480 1156707328 /nfs/dbraw/zinc/70/73/28/1156707328.db2.gz VVQVOXWHOGNFGN-QWHCGFSZSA-N 1 3 323.403 2.296 20 0 DEADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccccc1F ZINC001391720259 1156736247 /nfs/dbraw/zinc/73/62/47/1156736247.db2.gz MNFFIAVSNYSQOU-GOEBONIOSA-N 1 3 321.440 2.152 20 0 DEADHO CC(C)C[NH2+][C@H](CNC(=O)CN1CC[C@@H](C)C1)c1ccccc1 ZINC001373031547 1156841909 /nfs/dbraw/zinc/84/19/09/1156841909.db2.gz HAVZCAXWFJPQHA-SJLPKXTDSA-N 1 3 317.477 2.431 20 0 DEADHO CCCN(C(=O)CC[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001373124776 1156865256 /nfs/dbraw/zinc/86/52/56/1156865256.db2.gz LEPPLOWQFMQBHT-SFHVURJKSA-N 1 3 317.477 2.451 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H](CN(C)C/C=C\Cl)C1)[NH+](C)C ZINC001373290998 1156936001 /nfs/dbraw/zinc/93/60/01/1156936001.db2.gz GZGKBKBVPQGRPP-JHSOUAKNSA-N 1 3 315.889 2.105 20 0 DEADHO CC[C@@H](C(=O)NCc1ccc(CC[NH2+]C(C)C)cc1)N(C)C ZINC001403266942 1162831902 /nfs/dbraw/zinc/83/19/02/1162831902.db2.gz GCCSVOFOYWQLJL-KRWDZBQOSA-N 1 3 305.466 2.184 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(C)c(F)c1 ZINC001392524891 1157091887 /nfs/dbraw/zinc/09/18/87/1157091887.db2.gz LPUVXFJWRRSPMZ-CQSZACIVSA-N 1 3 309.429 2.070 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1CCCCC[N@@H+]1CC ZINC001403283675 1162837593 /nfs/dbraw/zinc/83/75/93/1162837593.db2.gz JLZPTCNBZFFBSN-LSDHHAIUSA-N 1 3 301.450 2.047 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1CCCCC[N@H+]1CC ZINC001403283675 1162837594 /nfs/dbraw/zinc/83/75/94/1162837594.db2.gz JLZPTCNBZFFBSN-LSDHHAIUSA-N 1 3 301.450 2.047 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001392619007 1157217717 /nfs/dbraw/zinc/21/77/17/1157217717.db2.gz NWJFQTXDXJGQBT-AWEZNQCLSA-N 1 3 316.449 2.102 20 0 DEADHO CC(C)CCC[NH+]1CC([C@@H](C)NC(=O)CN2CC[C@H](C)C2)C1 ZINC001403330179 1162853064 /nfs/dbraw/zinc/85/30/64/1162853064.db2.gz PYGGCDQFZFDLMM-JKSUJKDBSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)NCc1cncs1 ZINC001373751821 1157339920 /nfs/dbraw/zinc/33/99/20/1157339920.db2.gz DZCARFIKNGCLIS-ZFWWWQNUSA-N 1 3 324.494 2.000 20 0 DEADHO CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)NCc1cncs1 ZINC001373751821 1157339930 /nfs/dbraw/zinc/33/99/30/1157339930.db2.gz DZCARFIKNGCLIS-ZFWWWQNUSA-N 1 3 324.494 2.000 20 0 DEADHO CC1CC(CN2CC[C@@H]2CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001392856783 1157484969 /nfs/dbraw/zinc/48/49/69/1157484969.db2.gz OFEWYNCAFHIBQA-UYSNPLJNSA-N 1 3 307.482 2.097 20 0 DEADHO CC1CC(C[N@@H+]2CC[C@@H]2CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001392856783 1157484978 /nfs/dbraw/zinc/48/49/78/1157484978.db2.gz OFEWYNCAFHIBQA-UYSNPLJNSA-N 1 3 307.482 2.097 20 0 DEADHO CC1CC(C[N@H+]2CC[C@@H]2CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001392856783 1157484984 /nfs/dbraw/zinc/48/49/84/1157484984.db2.gz OFEWYNCAFHIBQA-UYSNPLJNSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001403409272 1162874675 /nfs/dbraw/zinc/87/46/75/1162874675.db2.gz ZYDQDYVULOCEPV-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001403409272 1162874676 /nfs/dbraw/zinc/87/46/76/1162874676.db2.gz ZYDQDYVULOCEPV-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001403409256 1162874891 /nfs/dbraw/zinc/87/48/91/1162874891.db2.gz ZYDQDYVULOCEPV-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C)C[N@H+]1CCCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001403409256 1162874892 /nfs/dbraw/zinc/87/48/92/1162874892.db2.gz ZYDQDYVULOCEPV-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cc(C)ccc1F)N(C)C ZINC001374092854 1157616183 /nfs/dbraw/zinc/61/61/83/1157616183.db2.gz ZVMWODDUHSCASO-WMLDXEAASA-N 1 3 323.456 2.316 20 0 DEADHO CCCN(C)CC(=O)N1CCC2(C[NH+](CCC(C)C)C2)CC1 ZINC001374189233 1157701140 /nfs/dbraw/zinc/70/11/40/1157701140.db2.gz CDFUABSCZHNURR-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1)N(C)C ZINC001393499613 1157844015 /nfs/dbraw/zinc/84/40/15/1157844015.db2.gz OUNVAUQELBTLPJ-ULQDDVLXSA-N 1 3 309.498 2.391 20 0 DEADHO CCC1([NH2+]C/C=C\Cl)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001393680806 1157899871 /nfs/dbraw/zinc/89/98/71/1157899871.db2.gz UFDLVSPBPAQBND-TWGQIWQCSA-N 1 3 315.889 2.440 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CC[N@H+](CCCF)CC2(C)C)CCC1 ZINC001393760150 1157957521 /nfs/dbraw/zinc/95/75/21/1157957521.db2.gz RXMWARHOHYSORO-CQSZACIVSA-N 1 3 313.461 2.047 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CC[N@@H+](CCCF)CC2(C)C)CCC1 ZINC001393760150 1157957536 /nfs/dbraw/zinc/95/75/36/1157957536.db2.gz RXMWARHOHYSORO-CQSZACIVSA-N 1 3 313.461 2.047 20 0 DEADHO CCN(CCN[C@H](C)c1ccccc1F)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001374720885 1157979789 /nfs/dbraw/zinc/97/97/89/1157979789.db2.gz AACSXVXKEBHUPS-CABCVRRESA-N 1 3 321.440 2.277 20 0 DEADHO CCN(CCN[C@H](C)c1ccccc1F)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374720885 1157979797 /nfs/dbraw/zinc/97/97/97/1157979797.db2.gz AACSXVXKEBHUPS-CABCVRRESA-N 1 3 321.440 2.277 20 0 DEADHO C[C@H](NC(=O)C(C)(C)N1CCCCC1)[C@H](C)[NH2+]C/C=C\Cl ZINC001393931371 1158079272 /nfs/dbraw/zinc/07/92/72/1158079272.db2.gz IZZHJRFLDBVSRD-GZLNQGQSSA-N 1 3 315.889 2.486 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(CF)cc1)N(C)C ZINC001394104837 1158291167 /nfs/dbraw/zinc/29/11/67/1158291167.db2.gz BVBVGGFBAVUXHA-YOEHRIQHSA-N 1 3 323.456 2.433 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(CF)cc1)N(C)C ZINC001394104837 1158291186 /nfs/dbraw/zinc/29/11/86/1158291186.db2.gz BVBVGGFBAVUXHA-YOEHRIQHSA-N 1 3 323.456 2.433 20 0 DEADHO CN(C)C1(C(=O)NCC2([NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)CCC1 ZINC001375428204 1158594403 /nfs/dbraw/zinc/59/44/03/1158594403.db2.gz BMJRNBICYJAAQI-OAGGEKHMSA-N 1 3 319.493 2.145 20 0 DEADHO C[C@H](CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1)NCCF ZINC001394512098 1158600928 /nfs/dbraw/zinc/60/09/28/1158600928.db2.gz OKFNCQQARMJRPQ-CYBMUJFWSA-N 1 3 301.450 2.045 20 0 DEADHO C[C@H](CN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1)NCCF ZINC001394512098 1158600930 /nfs/dbraw/zinc/60/09/30/1158600930.db2.gz OKFNCQQARMJRPQ-CYBMUJFWSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)C[C@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001375759278 1158863297 /nfs/dbraw/zinc/86/32/97/1158863297.db2.gz GFCOLSPINZWHOX-HOCLYGCPSA-N 1 3 306.454 2.215 20 0 DEADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]Cc1ccsc1 ZINC001403551215 1162993166 /nfs/dbraw/zinc/99/31/66/1162993166.db2.gz IUXWVUVEQRKENP-CYBMUJFWSA-N 1 3 309.479 2.169 20 0 DEADHO Cc1cc(C[NH2+][C@H](CNC(=O)CN(C)C(C)C)C2CC2)cs1 ZINC001376282771 1159313032 /nfs/dbraw/zinc/31/30/32/1159313032.db2.gz VAHNJKWVICQHCQ-MRXNPFEDSA-N 1 3 323.506 2.381 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C2(N(C)C)CCC2)cc1 ZINC001403591418 1163028866 /nfs/dbraw/zinc/02/88/66/1163028866.db2.gz UBVJYPUQPDKSKB-INIZCTEOSA-N 1 3 317.477 2.416 20 0 DEADHO CC1CC(C[NH2+][C@H]2CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001376334070 1159344062 /nfs/dbraw/zinc/34/40/62/1159344062.db2.gz ULBBOGWTDJJRKQ-GPANFISMSA-N 1 3 309.498 2.201 20 0 DEADHO Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)cs1 ZINC001376405523 1159390646 /nfs/dbraw/zinc/39/06/46/1159390646.db2.gz YHLCBGGXZRSWGE-JYJNAYRXSA-N 1 3 323.506 2.380 20 0 DEADHO C[C@H](CN(C)C(=O)CCC[NH+]1CCCCC1)NC/C=C/Cl ZINC001403617952 1163053136 /nfs/dbraw/zinc/05/31/36/1163053136.db2.gz BZPCLMLCULQRKA-LOWQCSRCSA-N 1 3 315.889 2.442 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]C/C=C\Cl)CCC1 ZINC001376734838 1159742265 /nfs/dbraw/zinc/74/22/65/1159742265.db2.gz HUXLDYJQXSOHCL-VYLZPFMQSA-N 1 3 313.873 2.240 20 0 DEADHO CN(CCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1ccccc1 ZINC001403653280 1163075776 /nfs/dbraw/zinc/07/57/76/1163075776.db2.gz DUVXYBHHCWSIFU-UHFFFAOYSA-N 1 3 303.450 2.109 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001397090303 1159967949 /nfs/dbraw/zinc/96/79/49/1159967949.db2.gz IFFHYIXNGYMKRM-WOVMCDHWSA-N 1 3 321.509 2.391 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2C)C1)N(C)C ZINC001397128057 1160006068 /nfs/dbraw/zinc/00/60/68/1160006068.db2.gz GBMVXMSNWRCSAD-SZMVWBNQSA-N 1 3 317.477 2.320 20 0 DEADHO C[C@H](c1cccc(F)c1)N(C)CCNC(=O)CCC[NH+](C)C ZINC001403677997 1163086847 /nfs/dbraw/zinc/08/68/47/1163086847.db2.gz YICWJSQHUJRBAP-CQSZACIVSA-N 1 3 309.429 2.277 20 0 DEADHO CCCN(C)CC(=O)NCC[N@H+](C)[C@@H](C)c1ccccc1C ZINC001377255574 1160085472 /nfs/dbraw/zinc/08/54/72/1160085472.db2.gz OESAIKABMOBGLF-INIZCTEOSA-N 1 3 305.466 2.446 20 0 DEADHO CCCN(C)CC(=O)NCC[N@@H+](C)[C@@H](C)c1ccccc1C ZINC001377255574 1160085482 /nfs/dbraw/zinc/08/54/82/1160085482.db2.gz OESAIKABMOBGLF-INIZCTEOSA-N 1 3 305.466 2.446 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC[N@H+](C)CC2CCC2)c1 ZINC001377271253 1160096628 /nfs/dbraw/zinc/09/66/28/1160096628.db2.gz JCKOXSDUWURPQI-UHFFFAOYSA-N 1 3 303.450 2.210 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC[N@@H+](C)CC2CCC2)c1 ZINC001377271253 1160096640 /nfs/dbraw/zinc/09/66/40/1160096640.db2.gz JCKOXSDUWURPQI-UHFFFAOYSA-N 1 3 303.450 2.210 20 0 DEADHO C[N@H+](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)CC1CCC1 ZINC001403690617 1163092870 /nfs/dbraw/zinc/09/28/70/1163092870.db2.gz XKZXMUHYDRXMCX-QGZVFWFLSA-N 1 3 313.461 2.047 20 0 DEADHO C[N@@H+](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)CC1CCC1 ZINC001403690617 1163092876 /nfs/dbraw/zinc/09/28/76/1163092876.db2.gz XKZXMUHYDRXMCX-QGZVFWFLSA-N 1 3 313.461 2.047 20 0 DEADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCc2ccccc2F)C1 ZINC001377283608 1160119566 /nfs/dbraw/zinc/11/95/66/1160119566.db2.gz LPFRMUCFBOYLAW-PBHICJAKSA-N 1 3 321.440 2.104 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCc2ccccc2F)C1 ZINC001377283608 1160119596 /nfs/dbraw/zinc/11/95/96/1160119596.db2.gz LPFRMUCFBOYLAW-PBHICJAKSA-N 1 3 321.440 2.104 20 0 DEADHO O=C(C[NH+]1CCCC1)NC[C@@H]1CCCN1Cc1cccc(F)c1 ZINC001377423335 1160353944 /nfs/dbraw/zinc/35/39/44/1160353944.db2.gz CMGVFJJYRVSVLT-KRWDZBQOSA-N 1 3 319.424 2.002 20 0 DEADHO C[NH+](C)CCCC(=O)NC[C@H]1C[C@@H](NCC=C(Cl)Cl)C1 ZINC001397629137 1160370699 /nfs/dbraw/zinc/37/06/99/1160370699.db2.gz UAABXKGZJRIYRM-TXEJJXNPSA-N 1 3 322.280 2.132 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]CCC(C)(C)C)C2)C1 ZINC001397636442 1160376200 /nfs/dbraw/zinc/37/62/00/1160376200.db2.gz VFDYBFWLMPCRNU-OAGGEKHMSA-N 1 3 309.498 2.249 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001377724240 1160787364 /nfs/dbraw/zinc/78/73/64/1160787364.db2.gz KCMGVOWOWXLUOE-CYBMUJFWSA-N 1 3 323.403 2.107 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC001377724240 1160787374 /nfs/dbraw/zinc/78/73/74/1160787374.db2.gz KCMGVOWOWXLUOE-CYBMUJFWSA-N 1 3 323.403 2.107 20 0 DEADHO CC(C)CCC[N@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001377767963 1160813869 /nfs/dbraw/zinc/81/38/69/1160813869.db2.gz POPPAUORAPVGMH-QGZVFWFLSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)CCC[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001377767963 1160813871 /nfs/dbraw/zinc/81/38/71/1160813871.db2.gz POPPAUORAPVGMH-QGZVFWFLSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)(C(=O)NC[C@H]([NH2+]CC1CC1)C1CC1)N1CCCCC1 ZINC001398405072 1160879298 /nfs/dbraw/zinc/87/92/98/1160879298.db2.gz JTLQHFCDKWYRHY-INIZCTEOSA-N 1 3 307.482 2.145 20 0 DEADHO CCCN(C)CC(=O)NCC1C[NH+](CCC2CCCCC2)C1 ZINC001378013441 1160915595 /nfs/dbraw/zinc/91/55/95/1160915595.db2.gz FZOPADHQZKAAQL-UHFFFAOYSA-N 1 3 309.498 2.347 20 0 DEADHO Cc1cccc(C[N@@H+](C)[C@@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001378064202 1160976409 /nfs/dbraw/zinc/97/64/09/1160976409.db2.gz NCIRKHOKGHPIMJ-INIZCTEOSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1cccc(C[N@H+](C)[C@@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001378064202 1160976425 /nfs/dbraw/zinc/97/64/25/1160976425.db2.gz NCIRKHOKGHPIMJ-INIZCTEOSA-N 1 3 317.477 2.416 20 0 DEADHO CC(C)c1ccccc1CN1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001378116303 1161029647 /nfs/dbraw/zinc/02/96/47/1161029647.db2.gz RDUZGGSYFGBSJQ-QGZVFWFLSA-N 1 3 317.477 2.452 20 0 DEADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)N(C)Cc1cccc(F)c1 ZINC001378122155 1161035790 /nfs/dbraw/zinc/03/57/90/1161035790.db2.gz KLCRUOFKVVUTQM-AWEZNQCLSA-N 1 3 321.440 2.104 20 0 DEADHO C[NH+](C)CCCC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001398749489 1161087606 /nfs/dbraw/zinc/08/76/06/1161087606.db2.gz GWRCSAASXKYFRL-GOSISDBHSA-N 1 3 317.477 2.499 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC1CCC2(CC2)CC1 ZINC001399011415 1161188453 /nfs/dbraw/zinc/18/84/53/1161188453.db2.gz BIORVUOTYPYIMM-CVEARBPZSA-N 1 3 321.509 2.393 20 0 DEADHO CC[C@@H](C(=O)NCC1C[NH+]([C@@H]2CCc3ccccc32)C1)N(C)C ZINC001400545478 1161767867 /nfs/dbraw/zinc/76/78/67/1161767867.db2.gz SDXXFCIJEKYJSG-ZWKOTPCHSA-N 1 3 315.461 2.062 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](NCc2nccs2)CC1 ZINC001401059587 1161865283 /nfs/dbraw/zinc/86/52/83/1161865283.db2.gz ZQIGRPDBNVFFMF-HDJSIYSDSA-N 1 3 324.494 2.002 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](NCc2nccs2)CC1 ZINC001401059587 1161865284 /nfs/dbraw/zinc/86/52/84/1161865284.db2.gz ZQIGRPDBNVFFMF-HDJSIYSDSA-N 1 3 324.494 2.002 20 0 DEADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+]Cc1cccc(F)c1 ZINC001401116330 1161876774 /nfs/dbraw/zinc/87/67/74/1161876774.db2.gz RUWKZCVOSJDBBK-CQSZACIVSA-N 1 3 321.440 2.152 20 0 DEADHO CC[NH2+]C1(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CCCC1 ZINC001401186097 1161889496 /nfs/dbraw/zinc/88/94/96/1161889496.db2.gz PKFHWMALTYXLMS-QGZVFWFLSA-N 1 3 313.461 2.237 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001401713117 1162087288 /nfs/dbraw/zinc/08/72/88/1162087288.db2.gz MDPROCNBRMUIKA-SWLSCSKDSA-N 1 3 311.857 2.275 20 0 DEADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCN2CCCC2CCCC2)C1 ZINC001401930662 1162185697 /nfs/dbraw/zinc/18/56/97/1162185697.db2.gz QYUVDUSAQIKWCD-ZWKOTPCHSA-N 1 3 321.509 2.489 20 0 DEADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CCN2CCCC2CCCC2)C1 ZINC001401930662 1162185698 /nfs/dbraw/zinc/18/56/98/1162185698.db2.gz QYUVDUSAQIKWCD-ZWKOTPCHSA-N 1 3 321.509 2.489 20 0 DEADHO C[NH+](C)CCC(=O)NCCN(CCF)C1CCCCCC1 ZINC001402000222 1162212760 /nfs/dbraw/zinc/21/27/60/1162212760.db2.gz ZGFJTOCKNMDPRE-UHFFFAOYSA-N 1 3 301.450 2.049 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[N@H+](CCCF)C1CC1 ZINC001404255721 1163534995 /nfs/dbraw/zinc/53/49/95/1163534995.db2.gz DNNORIYDCNMNHK-MRXNPFEDSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[N@@H+](CCCF)C1CC1 ZINC001404255721 1163535001 /nfs/dbraw/zinc/53/50/01/1163535001.db2.gz DNNORIYDCNMNHK-MRXNPFEDSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@H]1CC[N@H+](C/C=C/Cl)C1)N(C)C ZINC001404511349 1163690586 /nfs/dbraw/zinc/69/05/86/1163690586.db2.gz ITXSFYLWNVBKLP-YKHJJTLOSA-N 1 3 315.889 2.153 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@H]1CC[N@@H+](C/C=C/Cl)C1)N(C)C ZINC001404511349 1163690592 /nfs/dbraw/zinc/69/05/92/1163690592.db2.gz ITXSFYLWNVBKLP-YKHJJTLOSA-N 1 3 315.889 2.153 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2CC[C@H]([NH2+]CCC3CC3)CC2)CCC1 ZINC001405515720 1164129360 /nfs/dbraw/zinc/12/93/60/1164129360.db2.gz FVTSJZLOVMNCRN-WKILWMFISA-N 1 3 307.482 2.288 20 0 DEADHO C[NH+](C)CCC(=O)N1CCC[C@@H]1CNCc1ccccc1Cl ZINC001405600043 1164161162 /nfs/dbraw/zinc/16/11/62/1164161162.db2.gz YTBDZLATYZXHKD-OAHLLOKOSA-N 1 3 323.868 2.372 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001406223685 1164509178 /nfs/dbraw/zinc/50/91/78/1164509178.db2.gz XAFWXLFOUZHSQO-HOTGVXAUSA-N 1 3 309.498 2.391 20 0 DEADHO CCc1ccccc1C[NH2+]C[C@H](C)NC(=O)CN(C)C(C)C ZINC001406561395 1164678416 /nfs/dbraw/zinc/67/84/16/1164678416.db2.gz NLUBUVMRBHJGLD-HNNXBMFYSA-N 1 3 305.466 2.184 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCN1CC1CCCC1)[NH+]1CCCC1 ZINC001406896863 1164873477 /nfs/dbraw/zinc/87/34/77/1164873477.db2.gz OEIFZAMABAVMMS-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](F)CN1CCC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001407030478 1164933112 /nfs/dbraw/zinc/93/31/12/1164933112.db2.gz KNFPQGNAZVXSIY-WBVHZDCISA-N 1 3 313.461 2.001 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccccc2F)C1 ZINC001408095268 1165474288 /nfs/dbraw/zinc/47/42/88/1165474288.db2.gz GNAHVODYTZYUCK-WMLDXEAASA-N 1 3 321.440 2.104 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2CCN(CCC(C)(C)C)CC2)CC[N@@H+]1C ZINC001417616335 1167085453 /nfs/dbraw/zinc/08/54/53/1167085453.db2.gz KIJRECAOHUURMG-JKSUJKDBSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2CCN(CCC(C)(C)C)CC2)CC[N@H+]1C ZINC001417616335 1167085460 /nfs/dbraw/zinc/08/54/60/1167085460.db2.gz KIJRECAOHUURMG-JKSUJKDBSA-N 1 3 309.498 2.297 20 0 DEADHO CC1(C)CCCN(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001417729336 1167172418 /nfs/dbraw/zinc/17/24/18/1167172418.db2.gz ZPAUITNELNRISN-JKSUJKDBSA-N 1 3 307.482 2.242 20 0 DEADHO CC1(C)CCCN(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001417729336 1167172422 /nfs/dbraw/zinc/17/24/22/1167172422.db2.gz ZPAUITNELNRISN-JKSUJKDBSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1)N(C)C ZINC001417800937 1167221970 /nfs/dbraw/zinc/22/19/70/1167221970.db2.gz JFGQXCXTVOGUGI-JYJNAYRXSA-N 1 3 323.506 2.319 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001418052619 1167384728 /nfs/dbraw/zinc/38/47/28/1167384728.db2.gz YUTBWKFURRSEFR-KRWDZBQOSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001418074026 1167396569 /nfs/dbraw/zinc/39/65/69/1167396569.db2.gz SQMNEUIQSUAVBU-FPCVCCKLSA-N 1 3 313.461 2.234 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@H](C)NCc1ccc(Cl)s1 ZINC001418301773 1167562079 /nfs/dbraw/zinc/56/20/79/1167562079.db2.gz HHURIYPNSGOAQJ-NSHDSACASA-N 1 3 317.886 2.338 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)NCc1ccc(Cl)s1 ZINC001418301773 1167562082 /nfs/dbraw/zinc/56/20/82/1167562082.db2.gz HHURIYPNSGOAQJ-NSHDSACASA-N 1 3 317.886 2.338 20 0 DEADHO CC(C)[NH2+]CCc1ccc(CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001418359878 1167594777 /nfs/dbraw/zinc/59/47/77/1167594777.db2.gz OWSCEZCGAZBDCF-MRXNPFEDSA-N 1 3 317.477 2.185 20 0 DEADHO C[C@@H](c1ccccc1)[N@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001418466147 1167678355 /nfs/dbraw/zinc/67/83/55/1167678355.db2.gz XMPCKUNMNNFNCG-HNNXBMFYSA-N 1 3 303.450 2.280 20 0 DEADHO C[C@@H](c1ccccc1)[N@@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001418466147 1167678358 /nfs/dbraw/zinc/67/83/58/1167678358.db2.gz XMPCKUNMNNFNCG-HNNXBMFYSA-N 1 3 303.450 2.280 20 0 DEADHO Cc1cccc(CN(C)CCNC(=O)CC[C@H]2CCC[N@@H+]2C)c1 ZINC001418472365 1167684425 /nfs/dbraw/zinc/68/44/25/1167684425.db2.gz ZFFSOBBUNYKIGB-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO Cc1cccc(CN(C)CCNC(=O)CC[C@H]2CCC[N@H+]2C)c1 ZINC001418472365 1167684428 /nfs/dbraw/zinc/68/44/28/1167684428.db2.gz ZFFSOBBUNYKIGB-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO C[C@H](c1cccc(Cl)c1)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001418519164 1167755295 /nfs/dbraw/zinc/75/52/95/1167755295.db2.gz JASFUOLRJSVKJL-UKRRQHHQSA-N 1 3 323.868 2.401 20 0 DEADHO C[C@H](c1cccc(Cl)c1)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001418519164 1167755316 /nfs/dbraw/zinc/75/53/16/1167755316.db2.gz JASFUOLRJSVKJL-UKRRQHHQSA-N 1 3 323.868 2.401 20 0 DEADHO CC(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001418590434 1167831400 /nfs/dbraw/zinc/83/14/00/1167831400.db2.gz DITJENAGXYPZQT-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)N1CCCCCC1 ZINC001418590434 1167831404 /nfs/dbraw/zinc/83/14/04/1167831404.db2.gz DITJENAGXYPZQT-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)N1CCCCCC1 ZINC001418590434 1167831410 /nfs/dbraw/zinc/83/14/10/1167831410.db2.gz DITJENAGXYPZQT-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CN1CC[C@H]1CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001418590444 1167831454 /nfs/dbraw/zinc/83/14/54/1167831454.db2.gz DITJENAGXYPZQT-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)N1CCCCCC1 ZINC001418590444 1167831455 /nfs/dbraw/zinc/83/14/55/1167831455.db2.gz DITJENAGXYPZQT-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)N1CCCCCC1 ZINC001418590444 1167831458 /nfs/dbraw/zinc/83/14/58/1167831458.db2.gz DITJENAGXYPZQT-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CCCCC[C@H]([NH2+]C/C=C\Cl)C1)N(C)C ZINC001418788556 1167962189 /nfs/dbraw/zinc/96/21/89/1167962189.db2.gz HKEMCGAYYKLMOP-VOUMOHMSSA-N 1 3 315.889 2.440 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CC[C@H](C)F)N(C)C ZINC001418817170 1167983688 /nfs/dbraw/zinc/98/36/88/1167983688.db2.gz JJZDLPUORKKABA-HRCADAONSA-N 1 3 315.477 2.388 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)CC[C@H](C)F)N(C)C ZINC001418817170 1167983693 /nfs/dbraw/zinc/98/36/93/1167983693.db2.gz JJZDLPUORKKABA-HRCADAONSA-N 1 3 315.477 2.388 20 0 DEADHO CC[C@H](C(=O)N(C)CC[NH2+][C@H](C)c1ccccc1C)N(C)C ZINC001418819363 1167984856 /nfs/dbraw/zinc/98/48/56/1167984856.db2.gz DPDHGBKONWSJCD-NVXWUHKLSA-N 1 3 305.466 2.444 20 0 DEADHO CC1CC(C[NH2+][C@H](CNC(=O)CN(C)CC(C)(C)C)C2CC2)C1 ZINC001419301656 1168385590 /nfs/dbraw/zinc/38/55/90/1168385590.db2.gz XAJMRWKPYHLOMH-VMBOVVBDSA-N 1 3 323.525 2.495 20 0 DEADHO CC(C)CC[NH2+]C1CCC(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001419678920 1168800043 /nfs/dbraw/zinc/80/00/43/1168800043.db2.gz DMXAYWISCMDGJX-GTPINHCMSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1cc(C)cc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001419836771 1168867260 /nfs/dbraw/zinc/86/72/60/1168867260.db2.gz KLRFNAZUEVVQAV-FUHWJXTLSA-N 1 3 319.493 2.484 20 0 DEADHO Cc1ccccc1CN(C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001420002722 1169051411 /nfs/dbraw/zinc/05/14/11/1169051411.db2.gz CJEXNBQHQBYGKZ-UHFFFAOYSA-N 1 3 317.477 2.227 20 0 DEADHO CN(CC(=O)NCC[N@H+](C)CCc1ccccc1)CC(C)(C)C ZINC001420299732 1169334919 /nfs/dbraw/zinc/33/49/19/1169334919.db2.gz QAVZPWPLQZRXQD-UHFFFAOYSA-N 1 3 319.493 2.255 20 0 DEADHO CN(CC(=O)NCC[N@@H+](C)CCc1ccccc1)CC(C)(C)C ZINC001420299732 1169334931 /nfs/dbraw/zinc/33/49/31/1169334931.db2.gz QAVZPWPLQZRXQD-UHFFFAOYSA-N 1 3 319.493 2.255 20 0 DEADHO CC[N@H+](C)CCC(=O)NCCN(C)Cc1ccc2cc[nH]c2c1 ZINC001420322014 1169358029 /nfs/dbraw/zinc/35/80/29/1169358029.db2.gz BGACNQAYQXFAFS-UHFFFAOYSA-N 1 3 316.449 2.058 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCCN(C)Cc1ccc2cc[nH]c2c1 ZINC001420322014 1169358036 /nfs/dbraw/zinc/35/80/36/1169358036.db2.gz BGACNQAYQXFAFS-UHFFFAOYSA-N 1 3 316.449 2.058 20 0 DEADHO Cc1ccc(C)c(C[NH2+]C[C@@H](C)NC(=O)CN2CC[C@@H](C)C2)c1 ZINC001420337667 1169375188 /nfs/dbraw/zinc/37/51/88/1169375188.db2.gz KZTXQCJLKMDOBL-NVXWUHKLSA-N 1 3 317.477 2.240 20 0 DEADHO Cc1ccc(C)c(C[NH2+]C[C@@H](C)NC(=O)CN2CC[C@H](C)C2)c1 ZINC001420337666 1169375745 /nfs/dbraw/zinc/37/57/45/1169375745.db2.gz KZTXQCJLKMDOBL-DOTOQJQBSA-N 1 3 317.477 2.240 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCc2ccccc21)N(C)C ZINC001420427940 1169531059 /nfs/dbraw/zinc/53/10/59/1169531059.db2.gz NPBPETWLUFPMSE-QGTPRVQTSA-N 1 3 317.477 2.354 20 0 DEADHO CN1CCCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)C/C=C\Cl)C1 ZINC001420936829 1171363633 /nfs/dbraw/zinc/36/36/33/1171363633.db2.gz JDBCFRUABXVWBS-PNPSXAPQSA-N 1 3 313.873 2.004 20 0 DEADHO CN1CCCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)C/C=C\Cl)C1 ZINC001420936829 1171363637 /nfs/dbraw/zinc/36/36/37/1171363637.db2.gz JDBCFRUABXVWBS-PNPSXAPQSA-N 1 3 313.873 2.004 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001420996309 1171413808 /nfs/dbraw/zinc/41/38/08/1171413808.db2.gz VSGUEDCJFBBCQQ-OWCLPIDISA-N 1 3 307.482 2.003 20 0 DEADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1cc(F)ccc1C ZINC001421502003 1171824515 /nfs/dbraw/zinc/82/45/15/1171824515.db2.gz RVAIOGZIFQWWSS-QGZVFWFLSA-N 1 3 323.456 2.459 20 0 DEADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+]Cc1ccsc1 ZINC001421700230 1171911976 /nfs/dbraw/zinc/91/19/76/1171911976.db2.gz KRVBHYKFYQCJSV-CYBMUJFWSA-N 1 3 309.479 2.074 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccccc2C)[C@@H](C)C1 ZINC001422048878 1172256070 /nfs/dbraw/zinc/25/60/70/1172256070.db2.gz NUXDGUCVVADWCX-WMZOPIPTSA-N 1 3 317.477 2.273 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CCCF ZINC001422242183 1172430408 /nfs/dbraw/zinc/43/04/08/1172430408.db2.gz HENGSJCIBPPWJM-HZPDHXFCSA-N 1 3 313.461 2.143 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CCCF ZINC001422242183 1172430412 /nfs/dbraw/zinc/43/04/12/1172430412.db2.gz HENGSJCIBPPWJM-HZPDHXFCSA-N 1 3 313.461 2.143 20 0 DEADHO CCc1cccc(C[NH2+]C[C@@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001422511165 1172665332 /nfs/dbraw/zinc/66/53/32/1172665332.db2.gz NNOUDAFSTSLXSF-OAHLLOKOSA-N 1 3 317.477 2.328 20 0 DEADHO COc1cc(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(OC)c1 ZINC001422974127 1172988643 /nfs/dbraw/zinc/98/86/43/1172988643.db2.gz RYNKFSAOMKRHAN-JKSUJKDBSA-N 1 3 304.434 2.463 20 0 DEADHO COc1cc(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc(OC)c1 ZINC001422974127 1172988649 /nfs/dbraw/zinc/98/86/49/1172988649.db2.gz RYNKFSAOMKRHAN-JKSUJKDBSA-N 1 3 304.434 2.463 20 0 DEADHO C[C@H](F)CC[NH2+]C1(CNC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001423287874 1173207637 /nfs/dbraw/zinc/20/76/37/1173207637.db2.gz PXOOASQQUZOAGV-GJZGRUSLSA-N 1 3 313.461 2.237 20 0 DEADHO C[NH+](C)CCC(=O)N[C@H](CNCc1ccccc1F)C(C)(C)C ZINC001423620524 1173451097 /nfs/dbraw/zinc/45/10/97/1173451097.db2.gz KFQHTLIZDYDVJH-MRXNPFEDSA-N 1 3 323.456 2.398 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC001423947563 1173587044 /nfs/dbraw/zinc/58/70/44/1173587044.db2.gz KCQFBKZAZWWAFN-WMZOPIPTSA-N 1 3 317.477 2.213 20 0 DEADHO CN(CC(=O)NCC1([NH2+]Cc2ccccc2)CCC1)C1CCC1 ZINC001424179610 1173686845 /nfs/dbraw/zinc/68/68/45/1173686845.db2.gz ALHPOFAAQJAKCH-UHFFFAOYSA-N 1 3 315.461 2.299 20 0 DEADHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CCc1ccccc1F)N(C)C ZINC001425600170 1174393636 /nfs/dbraw/zinc/39/36/36/1174393636.db2.gz SXEFCGKJWAGZIL-RHSMWYFYSA-N 1 3 323.456 2.145 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C[NH2+]CC1CC(C)C1)C(C)(C)C ZINC001426151838 1174620774 /nfs/dbraw/zinc/62/07/74/1174620774.db2.gz YXWJWRSTKHWVIU-LDZOIKDWSA-N 1 3 320.481 2.427 20 0 DEADHO CC[NH+](CC)CC[C@@H](C)NC(=O)N(CCN(C)C)C(C)C ZINC001428403971 1175353085 /nfs/dbraw/zinc/35/30/85/1175353085.db2.gz CLFYFPBXAPRRGK-OAHLLOKOSA-N 1 3 300.491 2.088 20 0 DEADHO C[NH+](C)CC1(C(=O)NCCN2CCC(C)(C)C2)CCCCC1 ZINC001434410734 1178487492 /nfs/dbraw/zinc/48/74/92/1178487492.db2.gz GCIGSTXGCWMTAR-UHFFFAOYSA-N 1 3 309.498 2.347 20 0 DEADHO CC(C)C[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001436383655 1179072812 /nfs/dbraw/zinc/07/28/12/1179072812.db2.gz ALZPERCJNUCQAD-WKILWMFISA-N 1 3 309.498 2.391 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCc1ccccc1 ZINC001437148197 1179488121 /nfs/dbraw/zinc/48/81/21/1179488121.db2.gz MNXMIQDDNOTWCX-SJLPKXTDSA-N 1 3 317.477 2.198 20 0 DEADHO CC[C@H](C)C[N@H+](C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001437328612 1179724835 /nfs/dbraw/zinc/72/48/35/1179724835.db2.gz BQEZVUQZQMNWGR-JKSUJKDBSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001437328612 1179724859 /nfs/dbraw/zinc/72/48/59/1179724859.db2.gz BQEZVUQZQMNWGR-JKSUJKDBSA-N 1 3 309.498 2.440 20 0 DEADHO CC[N@H+](CCNC(=O)C1(N(C)C)CCC1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001437596286 1179858804 /nfs/dbraw/zinc/85/88/04/1179858804.db2.gz BZLZYXJOLBDIHD-ZACQAIPSSA-N 1 3 321.509 2.345 20 0 DEADHO CC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001437596286 1179858806 /nfs/dbraw/zinc/85/88/06/1179858806.db2.gz BZLZYXJOLBDIHD-ZACQAIPSSA-N 1 3 321.509 2.345 20 0 DEADHO CCN(CCNC(=O)CC[NH+](C)C)Cc1cc(C)sc1C ZINC001437623615 1179867329 /nfs/dbraw/zinc/86/73/29/1179867329.db2.gz YXANJMWJQGRRPN-UHFFFAOYSA-N 1 3 311.495 2.255 20 0 DEADHO C[C@H](c1ccccc1)[NH+]1CC(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001438140953 1180215070 /nfs/dbraw/zinc/21/50/70/1180215070.db2.gz BWOCGNUSVSADDJ-JKSUJKDBSA-N 1 3 315.461 2.137 20 0 DEADHO CC(C)C[C@H](C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001438192248 1180232270 /nfs/dbraw/zinc/23/22/70/1180232270.db2.gz SXESYCJZNGJLAP-YESZJQIVSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)C[C@H](C)C[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001438192248 1180232274 /nfs/dbraw/zinc/23/22/74/1180232274.db2.gz SXESYCJZNGJLAP-YESZJQIVSA-N 1 3 311.514 2.445 20 0 DEADHO CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1ccccc1 ZINC001438308805 1180336841 /nfs/dbraw/zinc/33/68/41/1180336841.db2.gz FLAMPXKUNDYKDF-IRXDYDNUSA-N 1 3 305.466 2.257 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]CC1CC(C)(C)C1 ZINC001438526392 1180547069 /nfs/dbraw/zinc/54/70/69/1180547069.db2.gz CQQSWVCWDWWVIE-GJZGRUSLSA-N 1 3 309.498 2.106 20 0 DEADHO Cc1ccccc1CN(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001438873830 1180839509 /nfs/dbraw/zinc/83/95/09/1180839509.db2.gz NBJQLSGNBUNZCY-SJLPKXTDSA-N 1 3 317.477 2.225 20 0 DEADHO Cc1ccccc1CN(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001438873830 1180839510 /nfs/dbraw/zinc/83/95/10/1180839510.db2.gz NBJQLSGNBUNZCY-SJLPKXTDSA-N 1 3 317.477 2.225 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]Cc1ccsc1)C1CC1 ZINC001439498802 1181113014 /nfs/dbraw/zinc/11/30/14/1181113014.db2.gz PZZPCAUIKFDPSV-HNNXBMFYSA-N 1 3 309.479 2.073 20 0 DEADHO C[N@H+](CCC(=O)NC[C@H]1CCN1CC1CC1)C1CCCCC1 ZINC001439552261 1181139682 /nfs/dbraw/zinc/13/96/82/1181139682.db2.gz WDFJLWOARGQYMV-QGZVFWFLSA-N 1 3 307.482 2.242 20 0 DEADHO C[N@@H+](CCC(=O)NC[C@H]1CCN1CC1CC1)C1CCCCC1 ZINC001439552261 1181139685 /nfs/dbraw/zinc/13/96/85/1181139685.db2.gz WDFJLWOARGQYMV-QGZVFWFLSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1cc(CN2CC[C@](C)(NC(=O)CCC[NH+](C)C)C2)cs1 ZINC001439854862 1181272975 /nfs/dbraw/zinc/27/29/75/1181272975.db2.gz SPYOBIXAAKLCBX-KRWDZBQOSA-N 1 3 323.506 2.479 20 0 DEADHO CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001440120642 1181357793 /nfs/dbraw/zinc/35/77/93/1181357793.db2.gz CYONUYRFZLAOFC-YYIAUSFCSA-N 1 3 309.498 2.342 20 0 DEADHO CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001440120642 1181357802 /nfs/dbraw/zinc/35/78/02/1181357802.db2.gz CYONUYRFZLAOFC-YYIAUSFCSA-N 1 3 309.498 2.342 20 0 DEADHO C[C@@H](F)CC[N@H+](C)C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001440734190 1181662425 /nfs/dbraw/zinc/66/24/25/1181662425.db2.gz PFBXZDAGVXBZAX-GDBMZVCRSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@@H](F)CC[N@@H+](C)C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001440734190 1181662430 /nfs/dbraw/zinc/66/24/30/1181662430.db2.gz PFBXZDAGVXBZAX-GDBMZVCRSA-N 1 3 313.461 2.142 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@H](C)[NH2+]CC1CCCCC1 ZINC001440841693 1181721021 /nfs/dbraw/zinc/72/10/21/1181721021.db2.gz KFPGSTGEDAKVTC-QWHCGFSZSA-N 1 3 306.454 2.324 20 0 DEADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)CCc1cccs1 ZINC001440936963 1181783110 /nfs/dbraw/zinc/78/31/10/1181783110.db2.gz PLBHAFUIAUDRBP-AWEZNQCLSA-N 1 3 323.506 2.211 20 0 DEADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)CCc1cccs1 ZINC001440936963 1181783116 /nfs/dbraw/zinc/78/31/16/1181783116.db2.gz PLBHAFUIAUDRBP-AWEZNQCLSA-N 1 3 323.506 2.211 20 0 DEADHO Cc1cccc(CN(C)[C@H](C)CNC(=O)CCC[NH+](C)C)c1 ZINC001440960118 1181799993 /nfs/dbraw/zinc/79/99/93/1181799993.db2.gz QGCQKDLAKPSASQ-MRXNPFEDSA-N 1 3 305.466 2.273 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001441040391 1181834186 /nfs/dbraw/zinc/83/41/86/1181834186.db2.gz VCQYHVAYVWMDMW-KGLIPLIRSA-N 1 3 319.440 2.199 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001441040391 1181834192 /nfs/dbraw/zinc/83/41/92/1181834192.db2.gz VCQYHVAYVWMDMW-KGLIPLIRSA-N 1 3 319.440 2.199 20 0 DEADHO CC[C@@H](C)C[N@H+](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001441386828 1181970275 /nfs/dbraw/zinc/97/02/75/1181970275.db2.gz NJBLHFLZYOLALO-HZPDHXFCSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C)C[N@@H+](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001441386828 1181970281 /nfs/dbraw/zinc/97/02/81/1181970281.db2.gz NJBLHFLZYOLALO-HZPDHXFCSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+][C@@H]1CCc2ccccc21 ZINC001441594571 1182080019 /nfs/dbraw/zinc/08/00/19/1182080019.db2.gz CAHGVYJPHHDSFS-SUMWQHHRSA-N 1 3 312.417 2.076 20 0 DEADHO C[C@H]1[C@H](NCc2ccccc2Cl)CCN1C(=O)CC[NH+](C)C ZINC001441826598 1182179081 /nfs/dbraw/zinc/17/90/81/1182179081.db2.gz QCQREKFGGVDSKS-XJKSGUPXSA-N 1 3 323.868 2.371 20 0 DEADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccccc1F ZINC001442344123 1182428770 /nfs/dbraw/zinc/42/87/70/1182428770.db2.gz FBBDZRKCBXHMST-CQSZACIVSA-N 1 3 321.440 2.294 20 0 DEADHO CC(C)c1ccc(CN(C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001442610064 1182569739 /nfs/dbraw/zinc/56/97/39/1182569739.db2.gz LRJTZAZGFNKAFX-GOSISDBHSA-N 1 3 317.477 2.310 20 0 DEADHO CC(C)c1ccc(CN(C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001442610064 1182569744 /nfs/dbraw/zinc/56/97/44/1182569744.db2.gz LRJTZAZGFNKAFX-GOSISDBHSA-N 1 3 317.477 2.310 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](CC)[C@@H]1CCc2ccccc21)N(C)C ZINC001442725891 1182669322 /nfs/dbraw/zinc/66/93/22/1182669322.db2.gz NABNENRYRVITST-ZWKOTPCHSA-N 1 3 317.477 2.452 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](CC)[C@@H]1CCc2ccccc21)N(C)C ZINC001442725891 1182669334 /nfs/dbraw/zinc/66/93/34/1182669334.db2.gz NABNENRYRVITST-ZWKOTPCHSA-N 1 3 317.477 2.452 20 0 DEADHO Cc1cc(CN2CCC[C@H]2CNC(=O)CC[NH+](C)C)c(C)s1 ZINC001442802568 1182717780 /nfs/dbraw/zinc/71/77/80/1182717780.db2.gz RMIVFGVFJRGODT-INIZCTEOSA-N 1 3 323.506 2.397 20 0 DEADHO CC(C)CCC[N@@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001442869677 1182757945 /nfs/dbraw/zinc/75/79/45/1182757945.db2.gz VIRKIVRESJHRBM-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)CCC[N@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001442869677 1182757948 /nfs/dbraw/zinc/75/79/48/1182757948.db2.gz VIRKIVRESJHRBM-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1ccccc1Cl ZINC001444044232 1183271828 /nfs/dbraw/zinc/27/18/28/1183271828.db2.gz RVNJIHCVTSMWOK-HUUCEWRRSA-N 1 3 323.868 2.276 20 0 DEADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1ccccc1Cl ZINC001444044232 1183271833 /nfs/dbraw/zinc/27/18/33/1183271833.db2.gz RVNJIHCVTSMWOK-HUUCEWRRSA-N 1 3 323.868 2.276 20 0 DEADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+][C@@H]1CCc2ccccc21 ZINC001444047757 1183273559 /nfs/dbraw/zinc/27/35/59/1183273559.db2.gz WWGSXCJOHSUKBL-FUHWJXTLSA-N 1 3 317.477 2.499 20 0 DEADHO Cc1cccc([C@H](C)[NH2+]C[C@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001445653829 1183955474 /nfs/dbraw/zinc/95/54/74/1183955474.db2.gz GGGDOTGDNOOZGU-HOTGVXAUSA-N 1 3 305.466 2.491 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001446014478 1184178090 /nfs/dbraw/zinc/17/80/90/1184178090.db2.gz MDTWYGAZBFDBAV-INIZCTEOSA-N 1 3 309.498 2.247 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CC1CCCCC1)N(C)C ZINC001446062051 1184206307 /nfs/dbraw/zinc/20/63/07/1184206307.db2.gz XVXBILYEOIAVON-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+]1CC1CCCCC1)N(C)C ZINC001446062051 1184206314 /nfs/dbraw/zinc/20/63/14/1184206314.db2.gz XVXBILYEOIAVON-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1)N1CCCC1 ZINC001446081083 1184218068 /nfs/dbraw/zinc/21/80/68/1184218068.db2.gz ZDDYHUSBAHFHHU-INIZCTEOSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CC[N@H+]1CC1CC(C)(C)C1)N1CCCC1 ZINC001446081083 1184218073 /nfs/dbraw/zinc/21/80/73/1184218073.db2.gz ZDDYHUSBAHFHHU-INIZCTEOSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CCN1CC1CC(C)(C)C1)[NH+]1CCCC1 ZINC001446081083 1184218080 /nfs/dbraw/zinc/21/80/80/1184218080.db2.gz ZDDYHUSBAHFHHU-INIZCTEOSA-N 1 3 321.509 2.488 20 0 DEADHO C[NH+](C)CCC(=O)N[C@]1(C)CCN(C/C=C\c2ccccc2)C1 ZINC001446553950 1184410302 /nfs/dbraw/zinc/41/03/02/1184410302.db2.gz DAEQEMGEGZVHBI-JNLAIUADSA-N 1 3 315.461 2.232 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001446944366 1184586796 /nfs/dbraw/zinc/58/67/96/1184586796.db2.gz VTILJVNVOQEUJO-DOTOQJQBSA-N 1 3 323.525 2.449 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC(C)([NH2+]CC2CC(C)C2)CC1 ZINC001447568488 1184812927 /nfs/dbraw/zinc/81/29/27/1184812927.db2.gz LCYDXLIYXUVGDE-UHFFFAOYSA-N 1 3 309.498 2.343 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@H]1c2ccccc2CCN1CC1CC1 ZINC001447701699 1184845708 /nfs/dbraw/zinc/84/57/08/1184845708.db2.gz FPLKMZVCCYNJLI-SFHVURJKSA-N 1 3 315.461 2.064 20 0 DEADHO Cc1cccc(C[NH2+]CC2CC(NC(=O)CN(C)C(C)C)C2)c1 ZINC001447825892 1184884515 /nfs/dbraw/zinc/88/45/15/1184884515.db2.gz VSVSNKUBTCYJQN-UHFFFAOYSA-N 1 3 317.477 2.320 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cc(C)ccc1F ZINC001447930953 1184961508 /nfs/dbraw/zinc/96/15/08/1184961508.db2.gz ZIFLETFQOCYCAB-LSDHHAIUSA-N 1 3 323.456 2.459 20 0 DEADHO COc1cccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001447940386 1184965772 /nfs/dbraw/zinc/96/57/72/1184965772.db2.gz ZJBSNDDVTXPPBR-HUUCEWRRSA-N 1 3 321.465 2.018 20 0 DEADHO C[C@@H](CNC(=O)CC[NH+](C)C)N(C)C/C=C\c1ccccc1 ZINC001448082807 1185064044 /nfs/dbraw/zinc/06/40/44/1185064044.db2.gz HWDGXZOKNNBPQY-CLOOOTJHSA-N 1 3 303.450 2.088 20 0 DEADHO CN(C)c1cc[nH+]c(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)c1 ZINC001164731061 720379778 /nfs/dbraw/zinc/37/97/78/720379778.db2.gz YRIUFQRTDWWHFF-ROUUACIJSA-N 1 3 323.444 2.396 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)N(C)C ZINC001370708762 1149828944 /nfs/dbraw/zinc/82/89/44/1149828944.db2.gz AOFPEKAQCLLMGX-IXDOHACOSA-N 1 3 309.498 2.390 20 0 DEADHO CN(CC(=O)N1CCCC[C@H]1C[N@H+](C)CC1CC1)C1CCC1 ZINC001089186909 782251202 /nfs/dbraw/zinc/25/12/02/782251202.db2.gz QDBPALVIGRTRSC-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO CN(CC(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CC1)C1CCC1 ZINC001089186909 782251205 /nfs/dbraw/zinc/25/12/05/782251205.db2.gz QDBPALVIGRTRSC-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(C)nnc2C)[C@@H](C)C1 ZINC001332885393 1149916108 /nfs/dbraw/zinc/91/61/08/1149916108.db2.gz CMWOFOOPJDQFFA-KSSFIOAISA-N 1 3 320.481 2.320 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001072979653 790351225 /nfs/dbraw/zinc/35/12/25/790351225.db2.gz GXUZIDQZYIMVPR-HZPDHXFCSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001072979653 790351240 /nfs/dbraw/zinc/35/12/40/790351240.db2.gz GXUZIDQZYIMVPR-HZPDHXFCSA-N 1 3 307.482 2.051 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC3(C2)CC[N@H+](CCC2CC2)C3)C1 ZINC001072983444 790356048 /nfs/dbraw/zinc/35/60/48/790356048.db2.gz WONCYDILXNLZFV-UHFFFAOYSA-N 1 3 319.493 2.053 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC3(C2)CC[N@@H+](CCC2CC2)C3)C1 ZINC001072983444 790356063 /nfs/dbraw/zinc/35/60/63/790356063.db2.gz WONCYDILXNLZFV-UHFFFAOYSA-N 1 3 319.493 2.053 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCCC1(C[NH2+]CCC2CC2)CC1 ZINC001167225254 776781835 /nfs/dbraw/zinc/78/18/35/776781835.db2.gz RYMOEYGRAQIJFJ-HNNXBMFYSA-N 1 3 307.482 2.147 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCCC1(C[NH2+]CC2CCC2)CC1 ZINC001167225676 776781984 /nfs/dbraw/zinc/78/19/84/776781984.db2.gz WYIDOEPYHGXOGL-HNNXBMFYSA-N 1 3 307.482 2.147 20 0 DEADHO CC(C)=CC[NH2+]CC1(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001167232548 776787155 /nfs/dbraw/zinc/78/71/55/776787155.db2.gz HALHEXVLNHHNLB-INIZCTEOSA-N 1 3 307.482 2.171 20 0 DEADHO CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001206952591 776821074 /nfs/dbraw/zinc/82/10/74/776821074.db2.gz VPFPJBDFNXERJH-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001210811630 776957225 /nfs/dbraw/zinc/95/72/25/776957225.db2.gz PLQWZPPUJGHOQK-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C[NH2+]CC2CCC2)C1 ZINC001087175256 777208311 /nfs/dbraw/zinc/20/83/11/777208311.db2.gz DITHZPUSOONYNI-QAPCUYQASA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC3CCC3)C2)C1 ZINC001104679100 778017049 /nfs/dbraw/zinc/01/70/49/778017049.db2.gz GICWJFIMZXXJPJ-LZLYRXPVSA-N 1 3 321.509 2.203 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C/C=C/Cl)C1 ZINC001104812452 778193113 /nfs/dbraw/zinc/19/31/13/778193113.db2.gz PJPWGODGIOACRI-OCESRQBRSA-N 1 3 315.889 2.155 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC(C)C)C1 ZINC001104811612 778194502 /nfs/dbraw/zinc/19/45/02/778194502.db2.gz DBCYEALHOFWLPY-IAGOWNOFSA-N 1 3 311.514 2.449 20 0 DEADHO c1nncn1C1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167994797 779214828 /nfs/dbraw/zinc/21/48/28/779214828.db2.gz PNJCSBGYAPBJKR-JWTNVVGKSA-N 1 3 315.465 2.320 20 0 DEADHO c1nncn1C1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167994797 779214838 /nfs/dbraw/zinc/21/48/38/779214838.db2.gz PNJCSBGYAPBJKR-JWTNVVGKSA-N 1 3 315.465 2.320 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C2CCCC2)CC[N@@H+]1CC ZINC001087602583 779374608 /nfs/dbraw/zinc/37/46/08/779374608.db2.gz VIPWLIJPXIBPKU-GVDBMIGSSA-N 1 3 307.482 2.382 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C2CCCC2)CC[N@H+]1CC ZINC001087602583 779374612 /nfs/dbraw/zinc/37/46/12/779374612.db2.gz VIPWLIJPXIBPKU-GVDBMIGSSA-N 1 3 307.482 2.382 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1Cc1ccsc1 ZINC001087828186 779471397 /nfs/dbraw/zinc/47/13/97/779471397.db2.gz CSLBKBNNFUVCQE-OWCLPIDISA-N 1 3 321.490 2.169 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1Cc1ccsc1 ZINC001087828186 779471402 /nfs/dbraw/zinc/47/14/02/779471402.db2.gz CSLBKBNNFUVCQE-OWCLPIDISA-N 1 3 321.490 2.169 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001087992792 779619862 /nfs/dbraw/zinc/61/98/62/779619862.db2.gz MQRBLLQJPCLECZ-ZACQAIPSSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001087992792 779619867 /nfs/dbraw/zinc/61/98/67/779619867.db2.gz MQRBLLQJPCLECZ-ZACQAIPSSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106561 779706114 /nfs/dbraw/zinc/70/61/14/779706114.db2.gz HGZNKCDLBOYYAK-KSZLIROESA-N 1 3 321.509 2.155 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106561 779706120 /nfs/dbraw/zinc/70/61/20/779706120.db2.gz HGZNKCDLBOYYAK-KSZLIROESA-N 1 3 321.509 2.155 20 0 DEADHO CN(C)[C@H](C(=O)N1CCCCC[C@H]([NH2+]CC2CCC2)C1)C1CC1 ZINC001088326655 779958067 /nfs/dbraw/zinc/95/80/67/779958067.db2.gz UTURNJSOFZETOC-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCCC[C@@H]([NH2+]CC3CC3)C2)C1 ZINC001088381734 780050763 /nfs/dbraw/zinc/05/07/63/780050763.db2.gz LIVCRRKPTLARNS-NVXWUHKLSA-N 1 3 307.482 2.099 20 0 DEADHO CC[NH2+]CC(C)(C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001101547892 780373699 /nfs/dbraw/zinc/37/36/99/780373699.db2.gz URGCUEFTAURVGB-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C1(C[NH2+]CC)CCC1 ZINC001105574536 780771459 /nfs/dbraw/zinc/77/14/59/780771459.db2.gz AOVBRAYGMFBTAU-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001076604217 781322844 /nfs/dbraw/zinc/32/28/44/781322844.db2.gz SFLSKVFIHFZFNN-ZWKOTPCHSA-N 1 3 315.461 2.305 20 0 DEADHO CCC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001076604217 781322849 /nfs/dbraw/zinc/32/28/49/781322849.db2.gz SFLSKVFIHFZFNN-ZWKOTPCHSA-N 1 3 315.461 2.305 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCN1C(C)C ZINC001085589784 783868098 /nfs/dbraw/zinc/86/80/98/783868098.db2.gz VCFVJMPCBWWWBO-DLBZAZTESA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCN1C(C)C ZINC001085589784 783868103 /nfs/dbraw/zinc/86/81/03/783868103.db2.gz VCFVJMPCBWWWBO-DLBZAZTESA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCCN1C(C)C ZINC001085856351 784150419 /nfs/dbraw/zinc/15/04/19/784150419.db2.gz XAIHFUQGAWBUDA-IAGOWNOFSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCCN1C(C)C ZINC001085856351 784150423 /nfs/dbraw/zinc/15/04/23/784150423.db2.gz XAIHFUQGAWBUDA-IAGOWNOFSA-N 1 3 309.498 2.438 20 0 DEADHO CCCN1CC[C@@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085917618 784212599 /nfs/dbraw/zinc/21/25/99/784212599.db2.gz FIYCYLWLOOTQNX-QGZVFWFLSA-N 1 3 307.482 2.051 20 0 DEADHO CN(C[C@@H]1CCN1CCCC1CCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001085968408 784267045 /nfs/dbraw/zinc/26/70/45/784267045.db2.gz JABLRLKISBVBTR-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C[C@@H]1CCN1CCCC1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001085968408 784267049 /nfs/dbraw/zinc/26/70/49/784267049.db2.gz JABLRLKISBVBTR-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]CC3CCCCC3)C2)CCC1 ZINC000968904121 784644123 /nfs/dbraw/zinc/64/41/23/784644123.db2.gz KCPYENRSMYFQHZ-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000968921924 784652558 /nfs/dbraw/zinc/65/25/58/784652558.db2.gz NEDBLDXCNHVYCD-QGZVFWFLSA-N 1 3 315.461 2.170 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2cc(C)sc2C)C1)N(C)C ZINC000969077223 784716472 /nfs/dbraw/zinc/71/64/72/784716472.db2.gz MDQWBQRYANYMMF-HZPDHXFCSA-N 1 3 323.506 2.396 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001007457135 784924631 /nfs/dbraw/zinc/92/46/31/784924631.db2.gz IQGXOCGBKRBPSD-IAGOWNOFSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001007457135 784924641 /nfs/dbraw/zinc/92/46/41/784924641.db2.gz IQGXOCGBKRBPSD-IAGOWNOFSA-N 1 3 307.482 2.242 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC(C(=O)N3CCCCC3)CC1)C2 ZINC001169141902 785060403 /nfs/dbraw/zinc/06/04/03/785060403.db2.gz SVBSZYSCXKUIJN-PIIMJCKOSA-N 1 3 319.493 2.336 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC(C(=O)N3CCCCC3)CC1)C2 ZINC001169141902 785060412 /nfs/dbraw/zinc/06/04/12/785060412.db2.gz SVBSZYSCXKUIJN-PIIMJCKOSA-N 1 3 319.493 2.336 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCCN(c3cccnc3)CC1)C2 ZINC001169153494 785067443 /nfs/dbraw/zinc/06/74/43/785067443.db2.gz JJDWSXSANYZUFR-VQFNDLOPSA-N 1 3 300.450 2.219 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCCN(c3cccnc3)CC1)C2 ZINC001169153494 785067459 /nfs/dbraw/zinc/06/74/59/785067459.db2.gz JJDWSXSANYZUFR-VQFNDLOPSA-N 1 3 300.450 2.219 20 0 DEADHO CC[NH+]1CCC(n2nc(C(F)(F)F)c3c2CNCC3)CC1 ZINC001169261207 785121980 /nfs/dbraw/zinc/12/19/80/785121980.db2.gz DHDRMGHZJCRDCN-UHFFFAOYSA-N 1 3 302.344 2.204 20 0 DEADHO C[C@@H](CCCC[NH2+]Cc1nccs1)NC(=O)[C@H]1CCCN1C ZINC001169808098 785375857 /nfs/dbraw/zinc/37/58/57/785375857.db2.gz BFEFZDXBIZUBMW-UONOGXRCSA-N 1 3 324.494 2.002 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@H](C)F ZINC001109463874 785888650 /nfs/dbraw/zinc/88/86/50/785888650.db2.gz BBLRBBCREVOOPK-XGUBFFRZSA-N 1 3 313.461 2.186 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@H](C)F ZINC001109463874 785888661 /nfs/dbraw/zinc/88/86/61/785888661.db2.gz BBLRBBCREVOOPK-XGUBFFRZSA-N 1 3 313.461 2.186 20 0 DEADHO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC[C@H](C)F ZINC001109463874 785888663 /nfs/dbraw/zinc/88/86/63/785888663.db2.gz BBLRBBCREVOOPK-XGUBFFRZSA-N 1 3 313.461 2.186 20 0 DEADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC[C@H](C)F ZINC001109463874 785888674 /nfs/dbraw/zinc/88/86/74/785888674.db2.gz BBLRBBCREVOOPK-XGUBFFRZSA-N 1 3 313.461 2.186 20 0 DEADHO CC1CCC(CN2CCN(C(=O)CCC[NH+](C)C)CC2)CC1 ZINC001113275086 786501417 /nfs/dbraw/zinc/50/14/17/786501417.db2.gz AGSPUQPZIMWBCC-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CCN(CC2CCCCCC2)CC1 ZINC001113499410 786638105 /nfs/dbraw/zinc/63/81/05/786638105.db2.gz YDBBDRDSVNYNHT-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CCN(CC2CCCCCC2)CC1 ZINC001113499410 786638108 /nfs/dbraw/zinc/63/81/08/786638108.db2.gz YDBBDRDSVNYNHT-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001015695003 787188408 /nfs/dbraw/zinc/18/84/08/787188408.db2.gz DPVZJXJFTZTVGM-YOEHRIQHSA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001015695003 787188416 /nfs/dbraw/zinc/18/84/16/787188416.db2.gz DPVZJXJFTZTVGM-YOEHRIQHSA-N 1 3 313.461 2.045 20 0 DEADHO Cc1ccc(CNCCNC(=O)CC[C@@H]2CCC[N@H+]2C)cc1F ZINC001129842353 787250402 /nfs/dbraw/zinc/25/04/02/787250402.db2.gz WRUHETPYOWXHGG-INIZCTEOSA-N 1 3 321.440 2.214 20 0 DEADHO Cc1ccc(CNCCNC(=O)CC[C@@H]2CCC[N@@H+]2C)cc1F ZINC001129842353 787250408 /nfs/dbraw/zinc/25/04/08/787250408.db2.gz WRUHETPYOWXHGG-INIZCTEOSA-N 1 3 321.440 2.214 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[NH2+]Cc1ccc(C2CC2)cc1)N(C)C ZINC001129950591 787262661 /nfs/dbraw/zinc/26/26/61/787262661.db2.gz WWOXJHCTSLHVFI-SFHVURJKSA-N 1 3 317.477 2.356 20 0 DEADHO O=C(NCCNCc1ccc(F)cc1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130186206 787310370 /nfs/dbraw/zinc/31/03/70/787310370.db2.gz CTKXMPCAYYKZRA-IRXDYDNUSA-N 1 3 319.424 2.048 20 0 DEADHO O=C(NCCNCc1ccc(F)cc1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001130186206 787310382 /nfs/dbraw/zinc/31/03/82/787310382.db2.gz CTKXMPCAYYKZRA-IRXDYDNUSA-N 1 3 319.424 2.048 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]Cc1ccc2c(c1)CCC2 ZINC001130419425 787393502 /nfs/dbraw/zinc/39/35/02/787393502.db2.gz ZYMOINBQJLOVPT-UHFFFAOYSA-N 1 3 317.477 2.111 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC ZINC001096313487 787607458 /nfs/dbraw/zinc/60/74/58/787607458.db2.gz IDGOKVLUDWNETI-QZWWFDLISA-N 1 3 307.482 2.382 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC ZINC001096313487 787607468 /nfs/dbraw/zinc/60/74/68/787607468.db2.gz IDGOKVLUDWNETI-QZWWFDLISA-N 1 3 307.482 2.382 20 0 DEADHO C[C@H](Nc1cccc(N2CCCC[C@@H]2C)n1)[C@H]1C[NH2+]CCO1 ZINC001170570354 787650149 /nfs/dbraw/zinc/65/01/49/787650149.db2.gz MYLDTEUONKFDAW-SOUVJXGZSA-N 1 3 304.438 2.249 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@@H]2C[N@H+](C)CCC2CC2)C1 ZINC001158472571 787764751 /nfs/dbraw/zinc/76/47/51/787764751.db2.gz CCBBLURKSFKESL-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@@H]2C[N@@H+](C)CCC2CC2)C1 ZINC001158472571 787764758 /nfs/dbraw/zinc/76/47/58/787764758.db2.gz CCBBLURKSFKESL-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(C)C)C1 ZINC001132937469 788231217 /nfs/dbraw/zinc/23/12/17/788231217.db2.gz LJIQAUOINVMINA-CVEARBPZSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)[C@H](C(=O)NCC[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001133416035 788407783 /nfs/dbraw/zinc/40/77/83/788407783.db2.gz ZRNVLERAKAPEKV-OAHLLOKOSA-N 1 3 311.857 2.132 20 0 DEADHO CC(C)[C@H](C(=O)NCC[NH2+]CC1CCC2(CC2)CC1)N(C)C ZINC001133433788 788428648 /nfs/dbraw/zinc/42/86/48/788428648.db2.gz BRHUXZOVUJLYQE-MRXNPFEDSA-N 1 3 309.498 2.249 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001133823540 788620348 /nfs/dbraw/zinc/62/03/48/788620348.db2.gz IVIRVUSERZLLDO-KBPBESRZSA-N 1 3 317.424 2.002 20 0 DEADHO C[C@@H]([NH2+]CCNC(=O)CN1CCC(C)(C)C1)c1ccccc1 ZINC001133896104 788662495 /nfs/dbraw/zinc/66/24/95/788662495.db2.gz CIWUCPHICMYHEW-OAHLLOKOSA-N 1 3 303.450 2.185 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+]Cc1cccc2ccccc21)N(C)C ZINC001133982955 788705531 /nfs/dbraw/zinc/70/55/31/788705531.db2.gz QEOFBEJNKJITCS-SFHVURJKSA-N 1 3 313.445 2.386 20 0 DEADHO CC1(C)[C@@H]2C[C@H](N3CCC([NH+]4CCC(C(N)=O)CC4)CC3)C[C@@H]21 ZINC001170759914 789001404 /nfs/dbraw/zinc/00/14/04/789001404.db2.gz FRDBTZFOMXTKDJ-BJWYYQGGSA-N 1 3 319.493 2.083 20 0 DEADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1ocnc1C ZINC001134772870 789073819 /nfs/dbraw/zinc/07/38/19/789073819.db2.gz ILVZIECOJLENCW-OLZOCXBDSA-N 1 3 324.469 2.086 20 0 DEADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1ocnc1C ZINC001134772870 789073831 /nfs/dbraw/zinc/07/38/31/789073831.db2.gz ILVZIECOJLENCW-OLZOCXBDSA-N 1 3 324.469 2.086 20 0 DEADHO O=C(NCCNCc1cccc(F)c1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135095534 789195333 /nfs/dbraw/zinc/19/53/33/789195333.db2.gz KBSCAYHPMSXESX-IRXDYDNUSA-N 1 3 319.424 2.048 20 0 DEADHO O=C(NCCNCc1cccc(F)c1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135095534 789195341 /nfs/dbraw/zinc/19/53/41/789195341.db2.gz KBSCAYHPMSXESX-IRXDYDNUSA-N 1 3 319.424 2.048 20 0 DEADHO C[C@H](C[C@H](C)[NH2+]CCC1CC1)NC(=O)CN1CCC(C)(C)C1 ZINC001135477122 789365705 /nfs/dbraw/zinc/36/57/05/789365705.db2.gz QXOGDCGREYGITQ-LSDHHAIUSA-N 1 3 309.498 2.391 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+]Cc1cccc2ccccc21 ZINC001135511180 789380600 /nfs/dbraw/zinc/38/06/00/789380600.db2.gz KKQHASWILJUZPM-UHFFFAOYSA-N 1 3 313.445 2.387 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001135511341 789381397 /nfs/dbraw/zinc/38/13/97/789381397.db2.gz NSTAZQOGTQDPRD-CYBMUJFWSA-N 1 3 311.857 2.449 20 0 DEADHO CCCCCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCOC ZINC001135690432 789450017 /nfs/dbraw/zinc/45/00/17/789450017.db2.gz HKOHYSIPICVFGL-HZPDHXFCSA-N 1 3 315.502 2.018 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCc1ccccc1 ZINC001135706494 789461559 /nfs/dbraw/zinc/46/15/59/789461559.db2.gz VMVGPVHOIRLZTL-SJORKVTESA-N 1 3 319.493 2.444 20 0 DEADHO CC(C)C[N@@H+]1CCC2(CN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001072735811 790234572 /nfs/dbraw/zinc/23/45/72/790234572.db2.gz RUGHFRMOPDLSQT-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[N@H+]1CCC2(CN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001072735811 790234578 /nfs/dbraw/zinc/23/45/78/790234578.db2.gz RUGHFRMOPDLSQT-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C)C1(C(=O)N2CC3(C2)CC[N@H+](CCC(C)(C)C)C3)CCC1 ZINC001072812237 790256147 /nfs/dbraw/zinc/25/61/47/790256147.db2.gz XSGVRYVHGOCKBK-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C)C1(C(=O)N2CC3(C2)CC[N@@H+](CCC(C)(C)C)C3)CCC1 ZINC001072812237 790256150 /nfs/dbraw/zinc/25/61/50/790256150.db2.gz XSGVRYVHGOCKBK-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCNCc2ccsc2)C1 ZINC001147833743 791632823 /nfs/dbraw/zinc/63/28/23/791632823.db2.gz AWDIFSKGXBYSLU-HUUCEWRRSA-N 1 3 309.479 2.074 20 0 DEADHO CC/C=C\CC[N@@H+]1CCC2(CN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001148292603 791730863 /nfs/dbraw/zinc/73/08/63/791730863.db2.gz MLOSQZUVLZRBRH-PTZVLDCSSA-N 1 3 307.482 2.217 20 0 DEADHO CC/C=C\CC[N@H+]1CCC2(CN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001148292603 791730869 /nfs/dbraw/zinc/73/08/69/791730869.db2.gz MLOSQZUVLZRBRH-PTZVLDCSSA-N 1 3 307.482 2.217 20 0 DEADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1)C2 ZINC001148462746 791751229 /nfs/dbraw/zinc/75/12/29/791751229.db2.gz OYRKCHARSXCWGU-UHFFFAOYSA-N 1 3 315.461 2.063 20 0 DEADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+](Cc1ccccc1)C2 ZINC001148462746 791751235 /nfs/dbraw/zinc/75/12/35/791751235.db2.gz OYRKCHARSXCWGU-UHFFFAOYSA-N 1 3 315.461 2.063 20 0 DEADHO CC/C=C\CC[N@@H+]1CCC2(CN(C(=O)CN(CC)CC)C2)C1 ZINC001148469165 791751510 /nfs/dbraw/zinc/75/15/10/791751510.db2.gz DKJSFFKFGKACPH-FPLPWBNLSA-N 1 3 307.482 2.219 20 0 DEADHO CC/C=C\CC[N@H+]1CCC2(CN(C(=O)CN(CC)CC)C2)C1 ZINC001148469165 791751513 /nfs/dbraw/zinc/75/15/13/791751513.db2.gz DKJSFFKFGKACPH-FPLPWBNLSA-N 1 3 307.482 2.219 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC001148551914 791769941 /nfs/dbraw/zinc/76/99/41/791769941.db2.gz XCYIJXIMTDMRQP-UHFFFAOYSA-N 1 3 321.490 2.124 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC001148551914 791769943 /nfs/dbraw/zinc/76/99/43/791769943.db2.gz XCYIJXIMTDMRQP-UHFFFAOYSA-N 1 3 321.490 2.124 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](CCCCCF)C2 ZINC001148651578 791781640 /nfs/dbraw/zinc/78/16/40/791781640.db2.gz JVPJZYRTYAVNAR-UHFFFAOYSA-N 1 3 313.461 2.002 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](CCCCCF)C2 ZINC001148651578 791781641 /nfs/dbraw/zinc/78/16/41/791781641.db2.gz JVPJZYRTYAVNAR-UHFFFAOYSA-N 1 3 313.461 2.002 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC001148639063 791787049 /nfs/dbraw/zinc/78/70/49/791787049.db2.gz ZGHVOYYUXQBCLB-MRXNPFEDSA-N 1 3 323.868 2.375 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+]Cc1ccc(Cl)cc1C ZINC001148638804 791787194 /nfs/dbraw/zinc/78/71/94/791787194.db2.gz SKLIULSKANLCFH-UHFFFAOYSA-N 1 3 311.857 2.196 20 0 DEADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@H+](CC1CCCC1)C2 ZINC001148838585 791809783 /nfs/dbraw/zinc/80/97/83/791809783.db2.gz AXZCXOHQEJUZPE-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@@H+](CC1CCCC1)C2 ZINC001148838585 791809788 /nfs/dbraw/zinc/80/97/88/791809788.db2.gz AXZCXOHQEJUZPE-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001086882523 791835591 /nfs/dbraw/zinc/83/55/91/791835591.db2.gz UYULBJOKWHFRBL-GOEBONIOSA-N 1 3 303.450 2.256 20 0 DEADHO CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001086943432 791857406 /nfs/dbraw/zinc/85/74/06/791857406.db2.gz UNZUCSPZKCGMEL-HOTGVXAUSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2C[N@H+](CC3CCC3)C[C@@]2(C)C1 ZINC001092011191 791923127 /nfs/dbraw/zinc/92/31/27/791923127.db2.gz SFMPFHIETVJXOR-WDYCEAGBSA-N 1 3 319.493 2.051 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2C[N@@H+](CC3CCC3)C[C@@]2(C)C1 ZINC001092011191 791923129 /nfs/dbraw/zinc/92/31/29/791923129.db2.gz SFMPFHIETVJXOR-WDYCEAGBSA-N 1 3 319.493 2.051 20 0 DEADHO CC(C)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)[C@H](C)C1 ZINC001092603292 792080536 /nfs/dbraw/zinc/08/05/36/792080536.db2.gz XMSVNMXPTGCLBU-BRWVUGGUSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)[C@H](C)C1 ZINC001092603292 792080548 /nfs/dbraw/zinc/08/05/48/792080548.db2.gz XMSVNMXPTGCLBU-BRWVUGGUSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C ZINC001092603295 792082631 /nfs/dbraw/zinc/08/26/31/792082631.db2.gz XQNVSVDVYOTHIN-KBAYOESNSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C ZINC001092603295 792082642 /nfs/dbraw/zinc/08/26/42/792082642.db2.gz XQNVSVDVYOTHIN-KBAYOESNSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CC2CCC2)[C@H](C)C1)N(C)C ZINC001094020637 792690287 /nfs/dbraw/zinc/69/02/87/792690287.db2.gz QGAKRJMKSCTYDS-DJIMGWMZSA-N 1 3 309.498 2.057 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC2CC([NH2+]CCC3CCCC3)C2)C1 ZINC001100678704 792784382 /nfs/dbraw/zinc/78/43/82/792784382.db2.gz UHASQHRCGZXDGC-FAEJEUNOSA-N 1 3 321.509 2.393 20 0 DEADHO CCN(CC)CC(=O)NCC1CC([NH2+]Cc2ccccc2)C1 ZINC001100769697 792833366 /nfs/dbraw/zinc/83/33/66/792833366.db2.gz XCGSTOFDYPEEFE-UHFFFAOYSA-N 1 3 303.450 2.013 20 0 DEADHO CCN(CC)CC(=O)NCC1CC([NH2+]C[C@H](C)CC(C)C)C1 ZINC001100771135 792834783 /nfs/dbraw/zinc/83/47/83/792834783.db2.gz ZNCPHGIECMANBP-KLAILNCOSA-N 1 3 311.514 2.495 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1cnoc1C)N(C)C ZINC001171509471 793118258 /nfs/dbraw/zinc/11/82/58/793118258.db2.gz QPPSNGQBYYOTDG-CZUORRHYSA-N 1 3 324.469 2.088 20 0 DEADHO CCCCC[N@@H+]1C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101364401 793134815 /nfs/dbraw/zinc/13/48/15/793134815.db2.gz RUFHABKLPZBQQH-LMMKCTJWSA-N 1 3 321.509 2.299 20 0 DEADHO CCCCC[N@H+]1C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101364401 793134826 /nfs/dbraw/zinc/13/48/26/793134826.db2.gz RUFHABKLPZBQQH-LMMKCTJWSA-N 1 3 321.509 2.299 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001171763033 793199454 /nfs/dbraw/zinc/19/94/54/793199454.db2.gz RQNBOBCFEVUHOL-LBPRGKRZSA-N 1 3 324.296 2.008 20 0 DEADHO CC(=O)NCCN[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171964595 793260808 /nfs/dbraw/zinc/26/08/08/793260808.db2.gz LVUCWULGGDLVIU-QGZVFWFLSA-N 1 3 303.450 2.155 20 0 DEADHO CC(=O)NCCN[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171964595 793260814 /nfs/dbraw/zinc/26/08/14/793260814.db2.gz LVUCWULGGDLVIU-QGZVFWFLSA-N 1 3 303.450 2.155 20 0 DEADHO CC1(C)C[C@H](NC[C@H]2COCCO2)CC[N@@H+]1Cc1ccccc1 ZINC001171972983 793283499 /nfs/dbraw/zinc/28/34/99/793283499.db2.gz UYMUGYGOYRECCU-MSOLQXFVSA-N 1 3 318.461 2.435 20 0 DEADHO CC1(C)C[C@H](NC[C@H]2COCCO2)CC[N@H+]1Cc1ccccc1 ZINC001171972983 793283510 /nfs/dbraw/zinc/28/35/10/793283510.db2.gz UYMUGYGOYRECCU-MSOLQXFVSA-N 1 3 318.461 2.435 20 0 DEADHO Cc1nccnc1O[C@H]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172134381 793325299 /nfs/dbraw/zinc/32/52/99/793325299.db2.gz XAXUBYMTLRSHPC-HZMVEIRTSA-N 1 3 316.449 2.253 20 0 DEADHO Cc1nccnc1O[C@H]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172134381 793325308 /nfs/dbraw/zinc/32/53/08/793325308.db2.gz XAXUBYMTLRSHPC-HZMVEIRTSA-N 1 3 316.449 2.253 20 0 DEADHO COc1ccc([C@H](O)CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172107584 793332135 /nfs/dbraw/zinc/33/21/35/793332135.db2.gz FPDXUZSBRLZJEY-XLMAVXFVSA-N 1 3 304.434 2.334 20 0 DEADHO COc1ccc([C@H](O)CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172107584 793332145 /nfs/dbraw/zinc/33/21/45/793332145.db2.gz FPDXUZSBRLZJEY-XLMAVXFVSA-N 1 3 304.434 2.334 20 0 DEADHO Cc1ccc2c(c1)C[C@H](N1CCN(CCC[NH+](C)C)CC1)CC2 ZINC001172831675 793509338 /nfs/dbraw/zinc/50/93/38/793509338.db2.gz PIUBXIFRALUOKE-HXUWFJFHSA-N 1 3 315.505 2.422 20 0 DEADHO CC[NH+](CC)C1CCC(NCc2cc3n(n2)CCCO3)CC1 ZINC001173108790 793580762 /nfs/dbraw/zinc/58/07/62/793580762.db2.gz QZXCDHSMBGVMCB-UHFFFAOYSA-N 1 3 306.454 2.408 20 0 DEADHO CC[NH+](CC)C1CCC(N2CCO[C@@H]3C[C@@H](CO)C[C@H]32)CC1 ZINC001173110205 793581280 /nfs/dbraw/zinc/58/12/80/793581280.db2.gz PWRNXINQKHBNJV-VVLHZNOGSA-N 1 3 310.482 2.111 20 0 DEADHO CCCN1C[C@@H]2C[N@H+]([C@H]3COc4cccc(OC)c4C3)C[C@@H]2C1 ZINC001173169090 793630368 /nfs/dbraw/zinc/63/03/68/793630368.db2.gz XAHODYJEDRHBLW-OWCLPIDISA-N 1 3 316.445 2.272 20 0 DEADHO CCCN1C[C@@H]2C[N@@H+]([C@H]3COc4cccc(OC)c4C3)C[C@@H]2C1 ZINC001173169090 793630374 /nfs/dbraw/zinc/63/03/74/793630374.db2.gz XAHODYJEDRHBLW-OWCLPIDISA-N 1 3 316.445 2.272 20 0 DEADHO CC[C@@H]1CC[C@H](N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2[NH3+])C1 ZINC001173273514 793654060 /nfs/dbraw/zinc/65/40/60/793654060.db2.gz FPNLGKXLZYTJBJ-BARDWOONSA-N 1 3 311.470 2.491 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C ZINC001102600569 793669778 /nfs/dbraw/zinc/66/97/78/793669778.db2.gz KWGHPDBAHRWYFC-NVXWUHKLSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C ZINC001102600569 793669783 /nfs/dbraw/zinc/66/97/83/793669783.db2.gz KWGHPDBAHRWYFC-NVXWUHKLSA-N 1 3 309.498 2.201 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+][C@@H](C)c1ccccc1C ZINC001174683199 794038452 /nfs/dbraw/zinc/03/84/52/794038452.db2.gz PQRFSRSEBUQQSZ-AWEZNQCLSA-N 1 3 314.433 2.426 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC[C@@H]2C)C1 ZINC001103434936 794091098 /nfs/dbraw/zinc/09/10/98/794091098.db2.gz FSCMKYOXMJRXIO-IXDOHACOSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC[C@@H]2C)C1 ZINC001103434936 794091106 /nfs/dbraw/zinc/09/11/06/794091106.db2.gz FSCMKYOXMJRXIO-IXDOHACOSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](CCC(C)C)C[C@H]1C)N(C)C ZINC001103443677 794093791 /nfs/dbraw/zinc/09/37/91/794093791.db2.gz GVUXBTTXJRFAEY-ZACQAIPSSA-N 1 3 311.514 2.447 20 0 DEADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C)N(C)C ZINC001103443677 794093802 /nfs/dbraw/zinc/09/38/02/794093802.db2.gz GVUXBTTXJRFAEY-ZACQAIPSSA-N 1 3 311.514 2.447 20 0 DEADHO Cc1ncoc1CNCCCC[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001174947500 794108132 /nfs/dbraw/zinc/10/81/32/794108132.db2.gz CCSWCFMHYWLDHJ-CQSZACIVSA-N 1 3 324.469 2.089 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1cnc(C)o1)N(C)C ZINC001175316168 794181427 /nfs/dbraw/zinc/18/14/27/794181427.db2.gz IYMBIULRIVRUKY-BBRMVZONSA-N 1 3 324.469 2.088 20 0 DEADHO CC[C@@H](C[NH2+]CCCC[C@H](C)NC(=O)CN(CC)CC)OC ZINC001175787767 794289799 /nfs/dbraw/zinc/28/97/99/794289799.db2.gz XBSTUOMIGOSOLG-HOTGVXAUSA-N 1 3 315.502 2.018 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]C/C=C/Cl ZINC001176292973 794393002 /nfs/dbraw/zinc/39/30/02/794393002.db2.gz OHOOVIZGBSOUEG-RCQQVGEISA-N 1 3 303.878 2.345 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCCC[NH2+]CCC1CC1 ZINC001176351372 794411148 /nfs/dbraw/zinc/41/11/48/794411148.db2.gz SLLOBKLHIMNBRA-ZDUSSCGKSA-N 1 3 306.454 2.325 20 0 DEADHO CC[C@H](C[NH2+]CCCC[C@H](C)NC(=O)CN(C)C(C)C)OC ZINC001176753333 794498086 /nfs/dbraw/zinc/49/80/86/794498086.db2.gz GKFNXOFZKMZBMQ-JKSUJKDBSA-N 1 3 315.502 2.016 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001176986112 794547015 /nfs/dbraw/zinc/54/70/15/794547015.db2.gz FCPGSFNUYGNEOS-AWEZNQCLSA-N 1 3 309.429 2.323 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CCCCCF ZINC001176992749 794551970 /nfs/dbraw/zinc/55/19/70/794551970.db2.gz ZMJUHUVRHGDJJX-OAHLLOKOSA-N 1 3 301.450 2.097 20 0 DEADHO CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C(F)(F)F ZINC001112123565 794561917 /nfs/dbraw/zinc/56/19/17/794561917.db2.gz PWDHGLHZNQOVMB-VXGBXAGGSA-N 1 3 323.403 2.106 20 0 DEADHO CC(C)C[NH2+]C1(CNC(=O)[C@H](C2CC2)N(C)C)CCCCC1 ZINC001115573179 794825764 /nfs/dbraw/zinc/82/57/64/794825764.db2.gz LPMDFGCLCGOZDC-INIZCTEOSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCCCCF)[C@@H]1C ZINC001179534294 795127062 /nfs/dbraw/zinc/12/70/62/795127062.db2.gz FRZHEMQSUYZLBO-PMPSAXMXSA-N 1 3 313.461 2.190 20 0 DEADHO CCCCCC[NH2+][C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)[C@H]1C ZINC001179539466 795134782 /nfs/dbraw/zinc/13/47/82/795134782.db2.gz YMBMSCCRWNVFQW-IKGGRYGDSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)NCCCCCC[NH2+]Cc1ocnc1C)N(C)C ZINC001179609725 795143077 /nfs/dbraw/zinc/14/30/77/795143077.db2.gz ZCLMKHNJHDUAHY-HNNXBMFYSA-N 1 3 324.469 2.089 20 0 DEADHO CCN(CC)CC(=O)NCCCCCC[NH2+]Cc1cc(C)no1 ZINC001179846364 795187477 /nfs/dbraw/zinc/18/74/77/795187477.db2.gz DUJDNJOLXWALCH-UHFFFAOYSA-N 1 3 324.469 2.091 20 0 DEADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCN(C)Cc1ccccc1 ZINC001181994589 795577239 /nfs/dbraw/zinc/57/72/39/795577239.db2.gz LHYPNLPFWGGWJV-SFHVURJKSA-N 1 3 317.477 2.451 20 0 DEADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCN(C)Cc1ccccc1 ZINC001181994589 795577245 /nfs/dbraw/zinc/57/72/45/795577245.db2.gz LHYPNLPFWGGWJV-SFHVURJKSA-N 1 3 317.477 2.451 20 0 DEADHO CCCC[NH2+]C1CC2(CC(NC(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001121246701 795607965 /nfs/dbraw/zinc/60/79/65/795607965.db2.gz RKWXTTQDHCRTSA-HVEGKCCWSA-N 1 3 307.482 2.144 20 0 DEADHO CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)CN(CC)CC)C2)C1 ZINC001121936078 795706933 /nfs/dbraw/zinc/70/69/33/795706933.db2.gz ZEGHGHSQJCELFL-JFPDKAJLSA-N 1 3 309.498 2.391 20 0 DEADHO CCCN(C)CC(=O)NC1CC2(C1)CC([NH2+]CC[C@H](C)F)C2 ZINC001122106450 795726337 /nfs/dbraw/zinc/72/63/37/795726337.db2.gz GORRFIIRUOWKFK-DPGVGJJJSA-N 1 3 313.461 2.093 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001182980877 795791542 /nfs/dbraw/zinc/79/15/42/795791542.db2.gz AQKWRTUHDCYAQT-SJORKVTESA-N 1 3 321.440 2.057 20 0 DEADHO CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001183288316 795852336 /nfs/dbraw/zinc/85/23/36/795852336.db2.gz CQVUBAMLOXFDAF-SQRWCISFSA-N 1 3 307.482 2.408 20 0 DEADHO Cc1cc(CN2CCC[C@@](C)([NH3+])CC2)cc(C)c1OCCO ZINC001205289621 796005073 /nfs/dbraw/zinc/00/50/73/796005073.db2.gz ZUOLKKIDKJMJNQ-GOSISDBHSA-N 1 3 306.450 2.378 20 0 DEADHO CCOC(=O)c1[nH]c(C)c(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c1C ZINC001138134517 796170115 /nfs/dbraw/zinc/17/01/15/796170115.db2.gz NEBWLLQFUVFOHK-CABCVRRESA-N 1 3 319.449 2.192 20 0 DEADHO CCOC(=O)c1[nH]c(C)c(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c1C ZINC001138134517 796170117 /nfs/dbraw/zinc/17/01/17/796170117.db2.gz NEBWLLQFUVFOHK-CABCVRRESA-N 1 3 319.449 2.192 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001185380101 796245482 /nfs/dbraw/zinc/24/54/82/796245482.db2.gz IVNBIMKXZXKMEF-ROUUACIJSA-N 1 3 323.525 2.449 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](NC/C=C\Cl)C1)[NH+](CC)CC ZINC001185609582 796293792 /nfs/dbraw/zinc/29/37/92/796293792.db2.gz LBKXPBJNWYZZNM-ZAACICEASA-N 1 3 301.862 2.050 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]Cc2csc(C)c2)C1 ZINC001186487594 796407962 /nfs/dbraw/zinc/40/79/62/796407962.db2.gz JUNCBTWMRRLZKX-OAHLLOKOSA-N 1 3 309.479 2.089 20 0 DEADHO CCN(CC)CC(=O)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001203010594 796487639 /nfs/dbraw/zinc/48/76/39/796487639.db2.gz UEIJHMBPKWGMLX-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2C[C@@H]([NH2+]CC3CCC3)C23CCC3)CCC1 ZINC001203030152 796516339 /nfs/dbraw/zinc/51/63/39/796516339.db2.gz WYRYLYCBUXKUDR-HZPDHXFCSA-N 1 3 319.493 2.288 20 0 DEADHO CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001188139028 796630689 /nfs/dbraw/zinc/63/06/89/796630689.db2.gz GGXBBSXXTICUMV-MBZYTVFJSA-N 1 3 307.482 2.408 20 0 DEADHO Cc1cccc(C)c1C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188145966 796632394 /nfs/dbraw/zinc/63/23/94/796632394.db2.gz UBMPBKIVCFZFNK-QGZVFWFLSA-N 1 3 317.477 2.334 20 0 DEADHO CCc1cccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001188145443 796632585 /nfs/dbraw/zinc/63/25/85/796632585.db2.gz HHVOGRKHKHZZJH-GOSISDBHSA-N 1 3 317.477 2.280 20 0 DEADHO COc1cc(CN2CCC3(C2)CC[NH+](C)CC3)cc(O)c1OC ZINC001141173728 796646352 /nfs/dbraw/zinc/64/63/52/796646352.db2.gz JPRZWIIXGDVGEG-UHFFFAOYSA-N 1 3 320.433 2.327 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CC(C)C)C[C@H]21)N(CC)CC ZINC001189110206 796765012 /nfs/dbraw/zinc/76/50/12/796765012.db2.gz NBMPPFRAQNQYRR-GVDBMIGSSA-N 1 3 309.498 2.296 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC(C)C)C[C@H]21)N(CC)CC ZINC001189110206 796765016 /nfs/dbraw/zinc/76/50/16/796765016.db2.gz NBMPPFRAQNQYRR-GVDBMIGSSA-N 1 3 309.498 2.296 20 0 DEADHO CN1CCC(N(C(=O)C2CC[NH+](C)CC2)C2CCCC2)CC1 ZINC001143313152 796822785 /nfs/dbraw/zinc/82/27/85/796822785.db2.gz SVTOBKLOEAOKTJ-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190644694 797047900 /nfs/dbraw/zinc/04/79/00/797047900.db2.gz KALAJLVGZBFZPM-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190644694 797047907 /nfs/dbraw/zinc/04/79/07/797047907.db2.gz KALAJLVGZBFZPM-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CCCC2CCC2)C1)N(C)C ZINC001190899115 797104529 /nfs/dbraw/zinc/10/45/29/797104529.db2.gz HTIXYCTURGSAOW-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCCC2CCC2)C1)N(C)C ZINC001190899115 797104533 /nfs/dbraw/zinc/10/45/33/797104533.db2.gz HTIXYCTURGSAOW-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(F)cc1C ZINC001152459032 797190536 /nfs/dbraw/zinc/19/05/36/797190536.db2.gz XAWOWOPTQLBLEM-QGZVFWFLSA-N 1 3 321.440 2.214 20 0 DEADHO CC(C)C[C@H](C)C[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192550255 797404694 /nfs/dbraw/zinc/40/46/94/797404694.db2.gz FYHSRQSGRRBYAH-HOCLYGCPSA-N 1 3 306.454 2.167 20 0 DEADHO CC(C)C[C@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192550255 797404700 /nfs/dbraw/zinc/40/47/00/797404700.db2.gz FYHSRQSGRRBYAH-HOCLYGCPSA-N 1 3 306.454 2.167 20 0 DEADHO C[C@H]1C[NH2+]CCC[C@H]1CNc1cc(Cl)nc2c1CCNC2 ZINC001155031269 797664568 /nfs/dbraw/zinc/66/45/68/797664568.db2.gz MHHZEOLCNLKXKK-RYUDHWBXSA-N 1 3 308.857 2.428 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC[NH2+]CC1CC2(CCC2)C1 ZINC001152145305 797781916 /nfs/dbraw/zinc/78/19/16/797781916.db2.gz ADOLNRUNWLVIPC-HUUCEWRRSA-N 1 3 307.482 2.145 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001196010523 797992891 /nfs/dbraw/zinc/99/28/91/797992891.db2.gz PILMPLMDIXPCKY-JKSUJKDBSA-N 1 3 315.477 2.247 20 0 DEADHO CC[C@H](C)C[N@H+]1CCCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001196010523 797992896 /nfs/dbraw/zinc/99/28/96/797992896.db2.gz PILMPLMDIXPCKY-JKSUJKDBSA-N 1 3 315.477 2.247 20 0 DEADHO CCN(Cc1ccsc1)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001156409075 797994443 /nfs/dbraw/zinc/99/44/43/797994443.db2.gz BKYKYDCBAMZKHW-CQSZACIVSA-N 1 3 321.490 2.171 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[N@H+](CC)CC1CC(F)(F)C1 ZINC001156531121 798022560 /nfs/dbraw/zinc/02/25/60/798022560.db2.gz XQMLYFPYWVJGGU-CYBMUJFWSA-N 1 3 319.440 2.200 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[N@@H+](CC)CC1CC(F)(F)C1 ZINC001156531121 798022564 /nfs/dbraw/zinc/02/25/64/798022564.db2.gz XQMLYFPYWVJGGU-CYBMUJFWSA-N 1 3 319.440 2.200 20 0 DEADHO N=C(NCCCC[NH3+])Nc1cccc(-c2cccc(Cl)n2)n1 ZINC001157096186 798143303 /nfs/dbraw/zinc/14/33/03/798143303.db2.gz FYSXQBJNDMEBQK-UHFFFAOYSA-N 1 3 318.812 2.472 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[N@H+](CCCCCF)CC1 ZINC001197150474 798154994 /nfs/dbraw/zinc/15/49/94/798154994.db2.gz OQFFEFQMCHDFPM-INIZCTEOSA-N 1 3 313.461 2.145 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[N@@H+](CCCCCF)CC1 ZINC001197150474 798154997 /nfs/dbraw/zinc/15/49/97/798154997.db2.gz OQFFEFQMCHDFPM-INIZCTEOSA-N 1 3 313.461 2.145 20 0 DEADHO COC1CCC(Nc2cccc(N3CCC([NH3+])CC3)n2)CC1 ZINC001157808500 798283657 /nfs/dbraw/zinc/28/36/57/798283657.db2.gz JIMOFVCENCWCHD-UHFFFAOYSA-N 1 3 304.438 2.379 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccccc1C ZINC001152452130 798338314 /nfs/dbraw/zinc/33/83/14/798338314.db2.gz UDHVBAXISICRPI-QGZVFWFLSA-N 1 3 303.450 2.075 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccccc1C ZINC001152452129 798339236 /nfs/dbraw/zinc/33/92/36/798339236.db2.gz UDHVBAXISICRPI-KRWDZBQOSA-N 1 3 303.450 2.075 20 0 DEADHO CCOC(=O)C1(Nc2cc3[nH]ccc3c(C)n2)CC[NH+](C)CC1 ZINC001158570470 798430777 /nfs/dbraw/zinc/43/07/77/798430777.db2.gz JVFWTFCWUMBXGD-UHFFFAOYSA-N 1 3 316.405 2.311 20 0 DEADHO [NH3+]C1CCN(c2cccc(NCCc3cncs3)n2)CC1 ZINC001158886312 798483820 /nfs/dbraw/zinc/48/38/20/798483820.db2.gz HTXWNPIPWASYEQ-UHFFFAOYSA-N 1 3 303.435 2.120 20 0 DEADHO CCOC(=O)c1c(N=CC2CC[NH2+]CC2)sc2c1CCNC2 ZINC001159208288 798539249 /nfs/dbraw/zinc/53/92/49/798539249.db2.gz HPBXNWFPQWJUKF-UHFFFAOYSA-N 1 3 321.446 2.250 20 0 DEADHO CC1CCC(C[NH2+]CCCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001159855006 798618845 /nfs/dbraw/zinc/61/88/45/798618845.db2.gz ZOVLKXVDLSSEIL-UHFFFAOYSA-N 1 3 309.498 2.393 20 0 DEADHO CN1CCC=C(Nc2ccc(N3CC[NH2+]CC3)c(Cl)c2)C1 ZINC001159858896 798619184 /nfs/dbraw/zinc/61/91/84/798619184.db2.gz OTKXZUYUKYMQDH-UHFFFAOYSA-N 1 3 306.841 2.381 20 0 DEADHO CCc1cccc(C[NH2+]CCCNC(=O)[C@@H](C2CC2)N(C)C)c1 ZINC001159917090 798625808 /nfs/dbraw/zinc/62/58/08/798625808.db2.gz VBSNUYJMGMEBKH-GOSISDBHSA-N 1 3 317.477 2.185 20 0 DEADHO C[C@H]([NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C)c1ccc(F)cc1 ZINC001159931469 798627789 /nfs/dbraw/zinc/62/77/89/798627789.db2.gz DDMGWXAVWQFQJH-GUYCJALGSA-N 1 3 321.440 2.323 20 0 DEADHO Cc1cc(C)cc(C[NH2+]CCCNC(=O)CN(C)C2CCC2)c1 ZINC001159997649 798637989 /nfs/dbraw/zinc/63/79/89/798637989.db2.gz WNRVMJXTZVAGPN-UHFFFAOYSA-N 1 3 317.477 2.384 20 0 DEADHO Cc1ccc(F)c(C[NH2+]CCCNC(=O)CN(C)C2CCC2)c1 ZINC001159997383 798638053 /nfs/dbraw/zinc/63/80/53/798638053.db2.gz OIZHCAUIPYKSBI-UHFFFAOYSA-N 1 3 321.440 2.214 20 0 DEADHO NCc1ccc(Nc2nc(Cl)cc(C3CC[NH2+]CC3)n2)cn1 ZINC001160402354 798683621 /nfs/dbraw/zinc/68/36/21/798683621.db2.gz QBZBIECVQKUZRG-UHFFFAOYSA-N 1 3 318.812 2.194 20 0 DEADHO CCc1ccc(C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001160427497 798686788 /nfs/dbraw/zinc/68/67/88/798686788.db2.gz SCIUMTMYJHAVMR-SFHVURJKSA-N 1 3 319.493 2.431 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC[C@H]1c1nccs1 ZINC001160688297 798722849 /nfs/dbraw/zinc/72/28/49/798722849.db2.gz MSFCLVZUKSLWJW-KBPBESRZSA-N 1 3 324.494 2.302 20 0 DEADHO CCC[C@@H](C)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001201544057 798766914 /nfs/dbraw/zinc/76/69/14/798766914.db2.gz MMXXCYJGBIKYSI-NCOADZHNSA-N 1 3 305.470 2.109 20 0 DEADHO CCC[C@@H](C)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001201544057 798766917 /nfs/dbraw/zinc/76/69/17/798766917.db2.gz MMXXCYJGBIKYSI-NCOADZHNSA-N 1 3 305.470 2.109 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC2=CC[N@H+](CCC3CC3)CC2)C1 ZINC001161212812 798811902 /nfs/dbraw/zinc/81/19/02/798811902.db2.gz BASVXSRYUCHCQU-INIZCTEOSA-N 1 3 319.493 2.267 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC2=CC[N@@H+](CCC3CC3)CC2)C1 ZINC001161212812 798811904 /nfs/dbraw/zinc/81/19/04/798811904.db2.gz BASVXSRYUCHCQU-INIZCTEOSA-N 1 3 319.493 2.267 20 0 DEADHO CN(C)c1cccc(NCC2CC[NH+](C3CCOCC3)CC2)n1 ZINC001161234290 798814796 /nfs/dbraw/zinc/81/47/96/798814796.db2.gz OKFRPSNEYVTKHM-UHFFFAOYSA-N 1 3 318.465 2.451 20 0 DEADHO C[C@]1(C[NH3+])CCCN(C(=O)[C@H](N)C23CC4CC(CC(C4)C2)C3)C1 ZINC001161489221 798869666 /nfs/dbraw/zinc/86/96/66/798869666.db2.gz RPDRVNCBRRGBGG-NWJJSSMHSA-N 1 3 319.493 2.118 20 0 DEADHO CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001110694631 798970264 /nfs/dbraw/zinc/97/02/64/798970264.db2.gz GHTJWPJMOWQSDN-NCOADZHNSA-N 1 3 309.498 2.484 20 0 DEADHO CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001110694631 798970266 /nfs/dbraw/zinc/97/02/66/798970266.db2.gz GHTJWPJMOWQSDN-NCOADZHNSA-N 1 3 309.498 2.484 20 0 DEADHO CC(C)N1CCN(c2ccc(N[C@@H]3CCC[C@@H]([NH3+])C3)cn2)CC1 ZINC001162397365 799077663 /nfs/dbraw/zinc/07/76/63/799077663.db2.gz TZSOUFCHNIDILX-HZPDHXFCSA-N 1 3 317.481 2.294 20 0 DEADHO Fc1ccc(N[C@@H]2COCCC23C[NH2+]C3)cc1CN1CCCC1 ZINC001163079913 799239058 /nfs/dbraw/zinc/23/90/58/799239058.db2.gz DAMCRTSZEFQFFI-QGZVFWFLSA-N 1 3 319.424 2.212 20 0 DEADHO Cc1c2[nH]cnc2ccc1NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163280153 799298066 /nfs/dbraw/zinc/29/80/66/799298066.db2.gz QZCYJGZFXQNFQG-DYVFJYSZSA-N 1 3 300.406 2.442 20 0 DEADHO [NH3+]Cc1cc2cc(Cl)ccc2n1-c1ncc2c(n1)CNCC2 ZINC001163896370 799453423 /nfs/dbraw/zinc/45/34/23/799453423.db2.gz DVRPKWLIAHDZBT-UHFFFAOYSA-N 1 3 313.792 2.178 20 0 DEADHO CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001110857739 799506480 /nfs/dbraw/zinc/50/64/80/799506480.db2.gz PDMGYVRAZKIFGW-OAGGEKHMSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]Cc1ccc(Cl)cc1 ZINC001166626938 799905238 /nfs/dbraw/zinc/90/52/38/799905238.db2.gz MQFHHQUCQGNMOE-AWEZNQCLSA-N 1 3 323.868 2.420 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CCCC2CCCC2)C1 ZINC001166667994 799915822 /nfs/dbraw/zinc/91/58/22/799915822.db2.gz NPDJYNRIQOHJNJ-MRXNPFEDSA-N 1 3 309.498 2.395 20 0 DEADHO C[C@H]([NH2+]CCCNC(=O)CN1CC[C@H](C)C1)c1cccc(F)c1 ZINC001166677574 799918053 /nfs/dbraw/zinc/91/80/53/799918053.db2.gz KHUQCHQVOFIKGH-GJZGRUSLSA-N 1 3 321.440 2.324 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+][C@H](C)c1cccc(C)c1)N(C)C ZINC001166851466 799964338 /nfs/dbraw/zinc/96/43/38/799964338.db2.gz BCMAOIUJYOXLKJ-WBVHZDCISA-N 1 3 305.466 2.492 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1ccc2c(c1)CCC2)N(C)C ZINC001166852494 799965441 /nfs/dbraw/zinc/96/54/41/799965441.db2.gz RNPFRNXUNTULSZ-SFHVURJKSA-N 1 3 317.477 2.111 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001166858503 799966428 /nfs/dbraw/zinc/96/64/28/799966428.db2.gz VSVFXWFBGXDQQU-INIZCTEOSA-N 1 3 309.429 2.092 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+][C@@H]1CCc2ccccc21)N(C)C ZINC001166857281 799966504 /nfs/dbraw/zinc/96/65/04/799966504.db2.gz BNPDZTMJYQZPRT-SJORKVTESA-N 1 3 303.450 2.110 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CC2)C12CCC2 ZINC001203650927 800099016 /nfs/dbraw/zinc/09/90/16/800099016.db2.gz KLLDKNYLVAIKDL-HOTGVXAUSA-N 1 3 307.482 2.145 20 0 DEADHO CCCC[NH2+][C@@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203659242 800101163 /nfs/dbraw/zinc/10/11/63/800101163.db2.gz HFBLXGNEFATTKN-CABCVRRESA-N 1 3 304.438 2.078 20 0 DEADHO CCCCC[NH2+][C@@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203661448 800101850 /nfs/dbraw/zinc/10/18/50/800101850.db2.gz VHZRJWASLJWUFD-CVEARBPZSA-N 1 3 318.465 2.468 20 0 DEADHO Fc1ccc(CN2CCN(CCC3CC[NH2+]CC3)CC2)cc1 ZINC001204645981 800242867 /nfs/dbraw/zinc/24/28/67/800242867.db2.gz DOFNPLRSLDICOL-UHFFFAOYSA-N 1 3 305.441 2.333 20 0 DEADHO [NH3+]C[C@@]1(O)CCCN(Cc2cc3cccnc3cc2F)CC1 ZINC001205231139 800325252 /nfs/dbraw/zinc/32/52/52/800325252.db2.gz WYTMKJXMXKZLOJ-QGZVFWFLSA-N 1 3 303.381 2.050 20 0 DEADHO CC(C)=CC[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001205461594 800359780 /nfs/dbraw/zinc/35/97/80/800359780.db2.gz OESXHCDKMQGQIU-QGZVFWFLSA-N 1 3 307.482 2.121 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+]CCCOC(F)F)CC1 ZINC001205514163 800367124 /nfs/dbraw/zinc/36/71/24/800367124.db2.gz MJRRHPRWZZJDPP-UHFFFAOYSA-N 1 3 306.397 2.239 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000934492165 800371812 /nfs/dbraw/zinc/37/18/12/800371812.db2.gz KNHYIVOTTXTSRK-INIZCTEOSA-N 1 3 307.438 2.043 20 0 DEADHO COC(=O)c1ccc(CN2CCC[C@@](F)(C[NH3+])CC2)c(F)c1 ZINC001205571790 800378576 /nfs/dbraw/zinc/37/85/76/800378576.db2.gz XVWQBUWBVVLPLV-INIZCTEOSA-N 1 3 312.360 2.265 20 0 DEADHO [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccc([O-])c3[nH]c(=O)ccc23)CC1 ZINC001205578902 800380380 /nfs/dbraw/zinc/38/03/80/800380380.db2.gz JUJLLSNCOYKMBE-KRWDZBQOSA-N 1 3 319.380 2.299 20 0 DEADHO [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc([O-])c3[nH]c(=O)ccc23)CC1 ZINC001205578902 800380387 /nfs/dbraw/zinc/38/03/87/800380387.db2.gz JUJLLSNCOYKMBE-KRWDZBQOSA-N 1 3 319.380 2.299 20 0 DEADHO CC[C@@H](F)C[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001206176236 800484812 /nfs/dbraw/zinc/48/48/12/800484812.db2.gz IJURLCQIGWXXAJ-HZPDHXFCSA-N 1 3 315.477 2.149 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[NH2+]C/C=C\Cl)CC1 ZINC001206273880 800500510 /nfs/dbraw/zinc/50/05/10/800500510.db2.gz CEXZAXAVEZVYPY-NMNMAYGDSA-N 1 3 313.873 2.051 20 0 DEADHO Cc1cc(CN2CCCC[C@@H](C[NH3+])C2)cc(C)c1OCCO ZINC001206639534 800569344 /nfs/dbraw/zinc/56/93/44/800569344.db2.gz DQZJXAMJLYBYKX-INIZCTEOSA-N 1 3 306.450 2.235 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1C)N(C)C ZINC001207652975 800798568 /nfs/dbraw/zinc/79/85/68/800798568.db2.gz RTWPATLKLXEHSA-OIISXLGYSA-N 1 3 323.525 2.445 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1C)N(C)C ZINC001207652975 800798573 /nfs/dbraw/zinc/79/85/73/800798573.db2.gz RTWPATLKLXEHSA-OIISXLGYSA-N 1 3 323.525 2.445 20 0 DEADHO C[NH+]1CCC(C)(CN2CC(CNC(=O)OC(C)(C)C)C2)CC1 ZINC001208106439 800913410 /nfs/dbraw/zinc/91/34/10/800913410.db2.gz FMEQJPFAYVBEJT-UHFFFAOYSA-N 1 3 311.470 2.175 20 0 DEADHO COCOCCCN1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001209026838 801113991 /nfs/dbraw/zinc/11/39/91/801113991.db2.gz VWUPTJZLBCRGCY-OALUTQOASA-N 1 3 318.461 2.369 20 0 DEADHO COCC[NH+]1CCC2(CC(N(C)Cc3ccncc3)C2)CC1 ZINC001209209701 801151417 /nfs/dbraw/zinc/15/14/17/801151417.db2.gz ITWDFHHOXOISJR-UHFFFAOYSA-N 1 3 303.450 2.404 20 0 DEADHO CCCCCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCF ZINC001229180457 801237245 /nfs/dbraw/zinc/23/72/45/801237245.db2.gz IWKXGEYBKGHVSS-HZPDHXFCSA-N 1 3 315.477 2.485 20 0 DEADHO COc1ccc(-c2ccc(C[N@@H+]3CCNC[C@@H](O)C3)cc2)cc1 ZINC001210398961 801392987 /nfs/dbraw/zinc/39/29/87/801392987.db2.gz IOLDIMXBEKJOAI-GOSISDBHSA-N 1 3 312.413 2.128 20 0 DEADHO COc1ccc(-c2ccc(C[N@H+]3CCNC[C@@H](O)C3)cc2)cc1 ZINC001210398961 801392993 /nfs/dbraw/zinc/39/29/93/801392993.db2.gz IOLDIMXBEKJOAI-GOSISDBHSA-N 1 3 312.413 2.128 20 0 DEADHO CC[C@@H](F)CN[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210744633 801456213 /nfs/dbraw/zinc/45/62/13/801456213.db2.gz SNUCWOUYRWIDJM-CABCVRRESA-N 1 3 301.450 2.047 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001210812239 801467663 /nfs/dbraw/zinc/46/76/63/801467663.db2.gz VNKKLTUIACGCKS-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CCCCCF)C1 ZINC001210810881 801467877 /nfs/dbraw/zinc/46/78/77/801467877.db2.gz GJDDUDYXNUZXFA-HNNXBMFYSA-N 1 3 301.450 2.049 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC001210811957 801467978 /nfs/dbraw/zinc/46/79/78/801467978.db2.gz SDLMZQMCYKONDU-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001211283671 801542292 /nfs/dbraw/zinc/54/22/92/801542292.db2.gz IKNDDRJBMUSIPI-KRWDZBQOSA-N 1 3 321.509 2.488 20 0 DEADHO CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001211374741 801556543 /nfs/dbraw/zinc/55/65/43/801556543.db2.gz LRNLOUGHVOAGBB-ZACQAIPSSA-N 1 3 309.498 2.343 20 0 DEADHO CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001211374741 801556546 /nfs/dbraw/zinc/55/65/46/801556546.db2.gz LRNLOUGHVOAGBB-ZACQAIPSSA-N 1 3 309.498 2.343 20 0 DEADHO COCCCOc1ccc(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC001231507369 801677431 /nfs/dbraw/zinc/67/74/31/801677431.db2.gz BDBWSJXBCXSAAC-CALCHBBNSA-N 1 3 304.434 2.095 20 0 DEADHO COCCCOc1ccc(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC001231507369 801677435 /nfs/dbraw/zinc/67/74/35/801677435.db2.gz BDBWSJXBCXSAAC-CALCHBBNSA-N 1 3 304.434 2.095 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001215994134 801924501 /nfs/dbraw/zinc/92/45/01/801924501.db2.gz RDBUWUIXMRYWPL-RHSMWYFYSA-N 1 3 321.440 2.104 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001216511556 801982318 /nfs/dbraw/zinc/98/23/18/801982318.db2.gz UCQNLWMLIZOIFT-GDBMZVCRSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H]([NH3+])c1cccc(C(=O)Nc2cc([C@@H]3CCCN3)no2)c1 ZINC001218711983 802229963 /nfs/dbraw/zinc/22/99/63/802229963.db2.gz GEJMBKDXMAGSSH-MFKMUULPSA-N 1 3 300.362 2.371 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccc2c(c1)CCO2 ZINC001218915649 802260381 /nfs/dbraw/zinc/26/03/81/802260381.db2.gz NZDHYLWSWQHGHK-HNNXBMFYSA-N 1 3 305.422 2.056 20 0 DEADHO C[C@H]1CC(C)(C)c2cccc(NC(=O)[C@H]3C[NH2+]CC34CNC4)c21 ZINC001219038574 802276357 /nfs/dbraw/zinc/27/63/57/802276357.db2.gz YWPKELIBXONWGM-GXTWGEPZSA-N 1 3 313.445 2.219 20 0 DEADHO CC(C)(C)[C@@H](N)C(=O)Nc1c(F)cccc1N1CCC([NH3+])CC1 ZINC001219290599 802305555 /nfs/dbraw/zinc/30/55/55/802305555.db2.gz IJDTWVMWBAFSHZ-HNNXBMFYSA-N 1 3 322.428 2.065 20 0 DEADHO N[C@@H](CCCC[NH3+])C(=O)Nc1cccc(F)c1N1CCCCC1 ZINC001219297378 802307404 /nfs/dbraw/zinc/30/74/04/802307404.db2.gz OBFCYFNQFTWALM-AWEZNQCLSA-N 1 3 322.428 2.211 20 0 DEADHO COc1cccc2c(NC(=O)[C@@H](N)CCCC[NH3+])cccc12 ZINC001219362030 802317994 /nfs/dbraw/zinc/31/79/94/802317994.db2.gz CHLCFSVFUYXVDZ-AWEZNQCLSA-N 1 3 301.390 2.243 20 0 DEADHO CN(C[C@H]1CCN1CC1CC1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001234346370 802357729 /nfs/dbraw/zinc/35/77/29/802357729.db2.gz UFKODFFMBLRKKP-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001234344716 802359118 /nfs/dbraw/zinc/35/91/18/802359118.db2.gz BHTCZJDOYWSJER-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO CCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](F)CN(CC)CC ZINC001234643041 802439609 /nfs/dbraw/zinc/43/96/09/802439609.db2.gz LRCJBYOFQNTLBQ-CVEARBPZSA-N 1 3 315.477 2.389 20 0 DEADHO CCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](F)CN(CC)CC ZINC001234643041 802439612 /nfs/dbraw/zinc/43/96/12/802439612.db2.gz LRCJBYOFQNTLBQ-CVEARBPZSA-N 1 3 315.477 2.389 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC001220310691 802443781 /nfs/dbraw/zinc/44/37/81/802443781.db2.gz DVXKOHZDDWAIBU-OLZOCXBDSA-N 1 3 305.413 2.176 20 0 DEADHO N[C@@H](CC1CCC1)C(=O)N1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001220982583 802517068 /nfs/dbraw/zinc/51/70/68/802517068.db2.gz IABRXJCVCVHTPQ-INIZCTEOSA-N 1 3 319.424 2.120 20 0 DEADHO Fc1ccc2occc2c1CN1CCNC2(CC[NH2+]CC2)C1 ZINC001222109736 802644891 /nfs/dbraw/zinc/64/48/91/802644891.db2.gz OKQAYRGCYWSQBY-UHFFFAOYSA-N 1 3 303.381 2.099 20 0 DEADHO Fc1cccc(CCCN2CCNC[C@]3(CCCC[NH2+]3)C2)c1 ZINC001222668414 802725323 /nfs/dbraw/zinc/72/53/23/802725323.db2.gz KCQWVXNERILYGR-GOSISDBHSA-N 1 3 305.441 2.176 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N(C)CC)C[C@@H]21 ZINC001223022675 802759702 /nfs/dbraw/zinc/75/97/02/802759702.db2.gz ARKQZOGOEFWNMC-CVEARBPZSA-N 1 3 309.498 2.440 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N(C)CC)C[C@@H]21 ZINC001223022675 802759706 /nfs/dbraw/zinc/75/97/06/802759706.db2.gz ARKQZOGOEFWNMC-CVEARBPZSA-N 1 3 309.498 2.440 20 0 DEADHO CCCCC[NH+]1CCC(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001224560934 802881883 /nfs/dbraw/zinc/88/18/83/802881883.db2.gz YXYXQOZJTMCPBF-MRXNPFEDSA-N 1 3 309.498 2.347 20 0 DEADHO CC[C@@H](C(=O)NCC1CC[NH+](CC2CC(C)C2)CC1)N(C)C ZINC001224582847 802884194 /nfs/dbraw/zinc/88/41/94/802884194.db2.gz CYPACQPNZFYNNF-PREGVCBESA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001226767135 803155077 /nfs/dbraw/zinc/15/50/77/803155077.db2.gz RPGVDWBKBGRKMX-HZPDHXFCSA-N 1 3 307.482 2.454 20 0 DEADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\Cl)C1CCC1 ZINC001226817914 803164661 /nfs/dbraw/zinc/16/46/61/803164661.db2.gz KRWBYBAHPDWOLO-VXQJABLNSA-N 1 3 313.873 2.240 20 0 DEADHO CN(C)[C@@H](C(=O)NC1CC[NH+](CCCCCF)CC1)C1CC1 ZINC001227816402 803284304 /nfs/dbraw/zinc/28/43/04/803284304.db2.gz DBDNXOBVYIHJJH-MRXNPFEDSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)C(C)C ZINC001417819477 1167233799 /nfs/dbraw/zinc/23/37/99/1167233799.db2.gz NWCVJJLPKDZKMV-PMPSAXMXSA-N 1 3 315.477 2.291 20 0 DEADHO C[C@@H](CCC[NH2+]CCC(F)(F)F)NC(=O)C1(N(C)C)CCC1 ZINC001330834366 1149310530 /nfs/dbraw/zinc/31/05/30/1149310530.db2.gz BTMFMXXSZVVJKE-LBPRGKRZSA-N 1 3 323.403 2.298 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[N@H+](C)CCF)CC1 ZINC001418947793 1168087843 /nfs/dbraw/zinc/08/78/43/1168087843.db2.gz LWZZFIGYTPVRBA-MRXNPFEDSA-N 1 3 313.461 2.001 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)CCF)CC1 ZINC001418947793 1168087851 /nfs/dbraw/zinc/08/78/51/1168087851.db2.gz LWZZFIGYTPVRBA-MRXNPFEDSA-N 1 3 313.461 2.001 20 0 DEADHO CCCC[NH+]1CCC(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001419397331 1168444864 /nfs/dbraw/zinc/44/48/64/1168444864.db2.gz DSDZRJDTEKFFGX-INIZCTEOSA-N 1 3 309.498 2.347 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@H]12 ZINC001575139900 1069376817 /nfs/dbraw/zinc/37/68/17/1069376817.db2.gz OLWORPYRSXURBA-XUWVNRHRSA-N 1 3 307.482 2.144 20 0 DEADHO CC(C)(C)OC(=O)NC1(CNC[C@H]([NH3+])CC(F)F)CCC1 ZINC001575214930 1069392225 /nfs/dbraw/zinc/39/22/25/1069392225.db2.gz WDPPZKMUHQZNIX-SNVBAGLBSA-N 1 3 307.385 2.006 20 0 DEADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)CC1CC(C)(C)C1 ZINC001368959937 1148807158 /nfs/dbraw/zinc/80/71/58/1148807158.db2.gz WUUWJKWEINKWNO-AWEZNQCLSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)CC1CC(C)(C)C1 ZINC001368959937 1148807161 /nfs/dbraw/zinc/80/71/61/1148807161.db2.gz WUUWJKWEINKWNO-AWEZNQCLSA-N 1 3 309.498 2.343 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](C)CCC(C)(C)C)CC1 ZINC001425426382 1174316603 /nfs/dbraw/zinc/31/66/03/1174316603.db2.gz WZOGCKDJZVEIGU-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CCC(C)(C)C)CC1 ZINC001425426382 1174316607 /nfs/dbraw/zinc/31/66/07/1174316607.db2.gz WZOGCKDJZVEIGU-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccccc2)CC1(C)C ZINC001369126939 1148854106 /nfs/dbraw/zinc/85/41/06/1148854106.db2.gz LVEKCFXCVLGAEP-QGZVFWFLSA-N 1 3 317.477 2.355 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccccc2)CC1(C)C ZINC001369126939 1148854107 /nfs/dbraw/zinc/85/41/07/1148854107.db2.gz LVEKCFXCVLGAEP-QGZVFWFLSA-N 1 3 317.477 2.355 20 0 DEADHO Cc1ccc(-c2nn(C)cc2C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)o1 ZINC001461828826 1058722113 /nfs/dbraw/zinc/72/21/13/1058722113.db2.gz JMMXTIZDOZLKKR-FVQBIDKESA-N 1 3 314.433 2.418 20 0 DEADHO CC(C)CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C(C)C)[C@@H]2C1 ZINC001369153351 1148857426 /nfs/dbraw/zinc/85/74/26/1148857426.db2.gz NBEFFKMIQNJASP-OSYLJGHBSA-N 1 3 309.498 2.057 20 0 DEADHO CC(C)CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C(C)C)[C@@H]2C1 ZINC001369153351 1148857429 /nfs/dbraw/zinc/85/74/29/1148857429.db2.gz NBEFFKMIQNJASP-OSYLJGHBSA-N 1 3 309.498 2.057 20 0 DEADHO C[C@H](CC[NH+](C)C)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC001464536926 1059151240 /nfs/dbraw/zinc/15/12/40/1059151240.db2.gz CMHLYBYQJVDOFU-MRXNPFEDSA-N 1 3 309.498 2.299 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C/C=C\Cl)C2 ZINC001501007505 1059197961 /nfs/dbraw/zinc/19/79/61/1059197961.db2.gz DRMIVIUGQJULSM-AJTWTAPCSA-N 1 3 313.873 2.050 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC001467782017 1059699157 /nfs/dbraw/zinc/69/91/57/1059699157.db2.gz YIWVLKDWKOJQPB-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC001467782017 1059699172 /nfs/dbraw/zinc/69/91/72/1059699172.db2.gz YIWVLKDWKOJQPB-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CN(CCC[N@H+](C)Cc1cccc(F)c1)C(=O)CN1CCCC1 ZINC001502396809 1060107624 /nfs/dbraw/zinc/10/76/24/1060107624.db2.gz FTMGTDZRPFEGCK-UHFFFAOYSA-N 1 3 321.440 2.202 20 0 DEADHO CN(CCC[N@@H+](C)Cc1cccc(F)c1)C(=O)CN1CCCC1 ZINC001502396809 1060107638 /nfs/dbraw/zinc/10/76/38/1060107638.db2.gz FTMGTDZRPFEGCK-UHFFFAOYSA-N 1 3 321.440 2.202 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+](CC)C2)C1 ZINC001502405020 1060113859 /nfs/dbraw/zinc/11/38/59/1060113859.db2.gz QRWSPPHTWWONOK-DLBZAZTESA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+](CC)C2)C1 ZINC001502405020 1060113868 /nfs/dbraw/zinc/11/38/68/1060113868.db2.gz QRWSPPHTWWONOK-DLBZAZTESA-N 1 3 309.498 2.299 20 0 DEADHO CCC(CC)C[NH+]1CC([C@H](C)NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001369174762 1148861183 /nfs/dbraw/zinc/86/11/83/1148861183.db2.gz ZRQJQPXIVBKXAY-YOEHRIQHSA-N 1 3 311.514 2.445 20 0 DEADHO Cc1ccc(CN(C)[C@H](C)CNC(=O)CCC[NH+](C)C)cc1F ZINC001505991502 1061224391 /nfs/dbraw/zinc/22/43/91/1061224391.db2.gz URQYCQVIOWLEJL-OAHLLOKOSA-N 1 3 323.456 2.412 20 0 DEADHO Cc1cc(F)ccc1CN(C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001505992816 1061227883 /nfs/dbraw/zinc/22/78/83/1061227883.db2.gz IWOTXPRLOMZZHY-CQSZACIVSA-N 1 3 309.429 2.022 20 0 DEADHO CC(C)[C@H](CNC(=O)N[C@H]1CCN(C)[C@H]1C)[NH+]1CCCCCC1 ZINC001479376547 1061423180 /nfs/dbraw/zinc/42/31/80/1061423180.db2.gz QCLTZXRVUJWGOC-ULQDDVLXSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H]1[C@H](NC(=O)N(CC[NH+](C)C)CC2CCCCC2)CCN1C ZINC001479377111 1061426741 /nfs/dbraw/zinc/42/67/41/1061426741.db2.gz UFTGHMKVXXEIAS-NVXWUHKLSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC001479474216 1061469666 /nfs/dbraw/zinc/46/96/66/1061469666.db2.gz CYFBOZOJJOTFDC-MRXNPFEDSA-N 1 3 322.497 2.131 20 0 DEADHO C[C@@H]1CCC[N@H+]1CCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC001479474216 1061469675 /nfs/dbraw/zinc/46/96/75/1061469675.db2.gz CYFBOZOJJOTFDC-MRXNPFEDSA-N 1 3 322.497 2.131 20 0 DEADHO CCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C1 ZINC001479973000 1062133929 /nfs/dbraw/zinc/13/39/29/1062133929.db2.gz RYYFBKQIJPONRG-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C1 ZINC001479973000 1062133939 /nfs/dbraw/zinc/13/39/39/1062133939.db2.gz RYYFBKQIJPONRG-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCN1C(C)C)C1CC1 ZINC001480019734 1062195086 /nfs/dbraw/zinc/19/50/86/1062195086.db2.gz MOXXTQFJZXYMPW-IRXDYDNUSA-N 1 3 309.498 2.390 20 0 DEADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1)C1CCC1 ZINC001480207512 1062464244 /nfs/dbraw/zinc/46/42/44/1062464244.db2.gz ANMUWTMRNXPFFM-IYBDPMFKSA-N 1 3 305.466 2.208 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001506907446 1062497543 /nfs/dbraw/zinc/49/75/43/1062497543.db2.gz SOSYHWANNMQRLB-JCNLHEQBSA-N 1 3 321.440 2.150 20 0 DEADHO CCC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(C)C ZINC001480396667 1062794279 /nfs/dbraw/zinc/79/42/79/1062794279.db2.gz PUUZWEHZIZLRPK-JYWZNFQHSA-N 1 3 307.482 2.119 20 0 DEADHO CCC/C=C/CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(C)C ZINC001480396667 1062794300 /nfs/dbraw/zinc/79/43/00/1062794300.db2.gz PUUZWEHZIZLRPK-JYWZNFQHSA-N 1 3 307.482 2.119 20 0 DEADHO CC[C@H](F)CN1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001507350133 1063139733 /nfs/dbraw/zinc/13/97/33/1063139733.db2.gz ZUYMTEHGQRPJHB-ZMSDIMECSA-N 1 3 313.461 2.190 20 0 DEADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@H+](CC3=CCCCC3)C2)CCC1 ZINC001493210593 1063642055 /nfs/dbraw/zinc/64/20/55/1063642055.db2.gz KSDBDSPMNHXCLF-KRWDZBQOSA-N 1 3 319.493 2.409 20 0 DEADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@@H+](CC3=CCCCC3)C2)CCC1 ZINC001493210593 1063642061 /nfs/dbraw/zinc/64/20/61/1063642061.db2.gz KSDBDSPMNHXCLF-KRWDZBQOSA-N 1 3 319.493 2.409 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CCN(C/C=C/Cl)C1)[NH+]1CCCC1 ZINC001493224045 1063649658 /nfs/dbraw/zinc/64/96/58/1063649658.db2.gz UZBSPSHHGSFCIS-DYLGSBMWSA-N 1 3 313.873 2.051 20 0 DEADHO CC1CC(C[N@@H+]2CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001493240688 1063665259 /nfs/dbraw/zinc/66/52/59/1063665259.db2.gz TYZWGWFOXFNQIC-CGZBRXJRSA-N 1 3 323.525 2.449 20 0 DEADHO CC1CC(C[N@H+]2CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001493240688 1063665264 /nfs/dbraw/zinc/66/52/64/1063665264.db2.gz TYZWGWFOXFNQIC-CGZBRXJRSA-N 1 3 323.525 2.449 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)C/C=C\Cl)CC1 ZINC001494191621 1064165812 /nfs/dbraw/zinc/16/58/12/1064165812.db2.gz ULFRDKDCLBVHCO-UVCVVPOWSA-N 1 3 313.873 2.004 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)C/C=C\Cl)CC1 ZINC001494191621 1064165818 /nfs/dbraw/zinc/16/58/18/1064165818.db2.gz ULFRDKDCLBVHCO-UVCVVPOWSA-N 1 3 313.873 2.004 20 0 DEADHO CCC1([NH2+]CCC(C)C)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001368594459 1148513763 /nfs/dbraw/zinc/51/37/63/1148513763.db2.gz NAVIYWAVMDSTIV-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](F)C[NH2+]CC1(NC(=O)CN2CC[C@@H](C)C2)CCCC1 ZINC001495189207 1064752299 /nfs/dbraw/zinc/75/22/99/1064752299.db2.gz VMIIYAWLXBIQEV-HUUCEWRRSA-N 1 3 313.461 2.095 20 0 DEADHO C[C@@H](CNCCF)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001568295552 1064762046 /nfs/dbraw/zinc/76/20/46/1064762046.db2.gz XTNSGEQOBVKLQA-HOCLYGCPSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H](CNCCF)N(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001568295552 1064762059 /nfs/dbraw/zinc/76/20/59/1064762059.db2.gz XTNSGEQOBVKLQA-HOCLYGCPSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H](CC[NH2+]C/C=C\Cl)C1 ZINC001495392614 1064875644 /nfs/dbraw/zinc/87/56/44/1064875644.db2.gz GJMMTUWDFAREOI-GTBONMDNSA-N 1 3 315.889 2.297 20 0 DEADHO C[C@H](CC[NH2+]Cc1ccccc1)NC(=O)CN1CC[C@H](C)C1 ZINC001568678211 1065042922 /nfs/dbraw/zinc/04/29/22/1065042922.db2.gz MVLSZHVESWVJNG-JKSUJKDBSA-N 1 3 303.450 2.013 20 0 DEADHO CCN(CC[NH2+]CC1CC(F)(F)C1)C(=O)[C@@H](C(C)C)N(C)C ZINC001568772659 1065109943 /nfs/dbraw/zinc/10/99/43/1065109943.db2.gz CONQBQSAKRUWNN-CQSZACIVSA-N 1 3 319.440 2.056 20 0 DEADHO Cc1cc(C[NH2+]C/C=C\CNC(=O)CN(C)C(C)C)c(C)s1 ZINC001568968911 1065219551 /nfs/dbraw/zinc/21/95/51/1065219551.db2.gz DMQUZUPEWHCIJV-SREVYHEPSA-N 1 3 323.506 2.467 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]([NH2+]CC1=CCCCC1)C(C)C ZINC001496628236 1065604421 /nfs/dbraw/zinc/60/44/21/1065604421.db2.gz KEKOGNKDTXQEAX-KRWDZBQOSA-N 1 3 318.465 2.491 20 0 DEADHO CC1CCC(C[N@H+](C)CCN(C)C(=O)Cc2c[nH]cn2)CC1 ZINC001496793748 1065716142 /nfs/dbraw/zinc/71/61/42/1065716142.db2.gz YUNTXSQSPAVSJH-UHFFFAOYSA-N 1 3 306.454 2.169 20 0 DEADHO CC1CCC(C[N@@H+](C)CCN(C)C(=O)Cc2c[nH]cn2)CC1 ZINC001496793748 1065716158 /nfs/dbraw/zinc/71/61/58/1065716158.db2.gz YUNTXSQSPAVSJH-UHFFFAOYSA-N 1 3 306.454 2.169 20 0 DEADHO CCCCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001496865018 1065763409 /nfs/dbraw/zinc/76/34/09/1065763409.db2.gz VUZMQDJNSMWVJM-GOEBONIOSA-N 1 3 304.438 2.065 20 0 DEADHO CCCCC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001496865018 1065763419 /nfs/dbraw/zinc/76/34/19/1065763419.db2.gz VUZMQDJNSMWVJM-GOEBONIOSA-N 1 3 304.438 2.065 20 0 DEADHO CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001496865017 1065763696 /nfs/dbraw/zinc/76/36/96/1065763696.db2.gz VUZMQDJNSMWVJM-GDBMZVCRSA-N 1 3 304.438 2.065 20 0 DEADHO CCCCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001496865017 1065763703 /nfs/dbraw/zinc/76/37/03/1065763703.db2.gz VUZMQDJNSMWVJM-GDBMZVCRSA-N 1 3 304.438 2.065 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC2CCCC2)C1 ZINC001496869252 1065768273 /nfs/dbraw/zinc/76/82/73/1065768273.db2.gz PJQFJSYVQHENED-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC2CCCC2)C1 ZINC001496869252 1065768285 /nfs/dbraw/zinc/76/82/85/1065768285.db2.gz PJQFJSYVQHENED-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO CCN(CCNC/C=C/Cl)C(=O)C12CCC[NH+](CCC1)C2 ZINC001497406451 1066077386 /nfs/dbraw/zinc/07/73/86/1066077386.db2.gz AVXHDHHQCFHZDS-VMPITWQZSA-N 1 3 313.873 2.053 20 0 DEADHO CC(C)(C)O[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1n1cccn1 ZINC001575246196 1066235597 /nfs/dbraw/zinc/23/55/97/1066235597.db2.gz HRUPBZYRMLMHAG-IBEHDNSVSA-N 1 3 306.454 2.240 20 0 DEADHO CC(C)(C)OC(=O)N1CC[C@H]2CN(CC(C)(C)C[NH3+])CC[C@@H]21 ZINC001575315049 1066262046 /nfs/dbraw/zinc/26/20/46/1066262046.db2.gz FZQBQJLXGZABGR-KBPBESRZSA-N 1 3 311.470 2.303 20 0 DEADHO CC(C)[C@H](C[NH3+])CNC[C@@H](O)c1cccc(Br)c1 ZINC001575422852 1066296866 /nfs/dbraw/zinc/29/68/66/1066296866.db2.gz NMMWKKHWISGEHK-TZMCWYRMSA-N 1 3 315.255 2.303 20 0 DEADHO CC(C)[C@@H]1CN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CCN1 ZINC001575507961 1066326751 /nfs/dbraw/zinc/32/67/51/1066326751.db2.gz NSSCFJIUYWDRGL-JKSUJKDBSA-N 1 3 303.450 2.169 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CCc1ccccc1F)N(C)C ZINC001497834094 1066353588 /nfs/dbraw/zinc/35/35/88/1066353588.db2.gz XGJKUMQXHRJGAG-PBHICJAKSA-N 1 3 323.456 2.049 20 0 DEADHO C[C@@H](C[C@@H]1CCC[NH2+]1)NCC[C@@H](O)COCc1ccccc1 ZINC001575941167 1066462511 /nfs/dbraw/zinc/46/25/11/1066462511.db2.gz LBJVXZWSUNVUMD-RYQLBKOJSA-N 1 3 306.450 2.074 20 0 DEADHO C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CCN2C2CCCC2)cc1 ZINC001576164341 1066507473 /nfs/dbraw/zinc/50/74/73/1066507473.db2.gz MTVLVHAZJRJIGG-GUYCJALGSA-N 1 3 301.434 2.453 20 0 DEADHO C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](N)C2)CCN1C(=O)OC(C)(C)C ZINC001576600244 1066643599 /nfs/dbraw/zinc/64/35/99/1066643599.db2.gz ZUOQWRIENZUNPW-QLFBSQMISA-N 1 3 311.470 2.445 20 0 DEADHO C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](N)C2)CCN1C(=O)OC(C)(C)C ZINC001576600244 1066643602 /nfs/dbraw/zinc/64/36/02/1066643602.db2.gz ZUOQWRIENZUNPW-QLFBSQMISA-N 1 3 311.470 2.445 20 0 DEADHO C[C@H](C[N@H+](C)CCC1CCCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001498381560 1066668560 /nfs/dbraw/zinc/66/85/60/1066668560.db2.gz RDGWOVKCJBUYSQ-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](C[N@@H+](C)CCC1CCCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001498381560 1066668564 /nfs/dbraw/zinc/66/85/64/1066668564.db2.gz RDGWOVKCJBUYSQ-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001576782276 1066688379 /nfs/dbraw/zinc/68/83/79/1066688379.db2.gz GXGXEGYQZZCTPZ-WZYMTQMTSA-N 1 3 323.481 2.458 20 0 DEADHO C[C@H]1COC2(CCCC2)CN1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001576854086 1066701874 /nfs/dbraw/zinc/70/18/74/1066701874.db2.gz KZYAHFPSACUVQU-JKSUJKDBSA-N 1 3 308.466 2.179 20 0 DEADHO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C[NH2+]CC(C)(C)N ZINC001576893599 1066712974 /nfs/dbraw/zinc/71/29/74/1066712974.db2.gz AEAKPSFFDJBJBK-NWDGAFQWSA-N 1 3 315.458 2.074 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)C1=CCC[NH2+]CC1)c1ccco1 ZINC001577002137 1066742540 /nfs/dbraw/zinc/74/25/40/1066742540.db2.gz CQQMUOHCEFCHCT-DZGCQCFKSA-N 1 3 305.422 2.135 20 0 DEADHO CC[C@H](CNC(=O)[C@@](C)(CC)C[NH3+])N1CCc2ccccc2C1 ZINC001577084701 1066759706 /nfs/dbraw/zinc/75/97/06/1066759706.db2.gz FJIUWTDENDDHIF-MJGOQNOKSA-N 1 3 317.477 2.315 20 0 DEADHO CC[C@](O)(CCC(F)(F)F)CNCc1cc(C(C)(C)[NH3+])no1 ZINC001577183207 1066782292 /nfs/dbraw/zinc/78/22/92/1066782292.db2.gz XTSWPPXVRCADIJ-ZDUSSCGKSA-N 1 3 323.359 2.442 20 0 DEADHO CC[C@H](C(=O)N(C)CCC[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001498580057 1066787554 /nfs/dbraw/zinc/78/75/54/1066787554.db2.gz BSJCIKCDOUGYIL-MRXNPFEDSA-N 1 3 309.429 2.104 20 0 DEADHO CCCN(C)CC(=O)N(C)CCC[NH2+][C@@H]1CCc2ccccc21 ZINC001498643920 1066817065 /nfs/dbraw/zinc/81/70/65/1066817065.db2.gz NHGPSDQJPKHTMF-GOSISDBHSA-N 1 3 317.477 2.454 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC001577523999 1066867053 /nfs/dbraw/zinc/86/70/53/1066867053.db2.gz PRULTTFUXSIWEG-WKILWMFISA-N 1 3 310.486 2.164 20 0 DEADHO CCN(CCC(=O)N1CCc2sccc2C1)C1CC[NH2+]CC1 ZINC001577711179 1066912435 /nfs/dbraw/zinc/91/24/35/1066912435.db2.gz WIZCJKXIXSSKMS-UHFFFAOYSA-N 1 3 321.490 2.097 20 0 DEADHO CC[N@H+](CCC(=O)N1CCc2sccc2C1)C1CCNCC1 ZINC001577711179 1066912422 /nfs/dbraw/zinc/91/24/22/1066912422.db2.gz WIZCJKXIXSSKMS-UHFFFAOYSA-N 1 3 321.490 2.097 20 0 DEADHO CC[N@@H+](CCC(=O)N1CCc2sccc2C1)C1CCNCC1 ZINC001577711179 1066912428 /nfs/dbraw/zinc/91/24/28/1066912428.db2.gz WIZCJKXIXSSKMS-UHFFFAOYSA-N 1 3 321.490 2.097 20 0 DEADHO CC[N@@H+]1CCCN(C(=O)C[C@H]2NCc3ccccc32)[C@H](C)C1 ZINC001577773325 1066925372 /nfs/dbraw/zinc/92/53/72/1066925372.db2.gz BOXKYVFPDLMMKB-RHSMWYFYSA-N 1 3 301.434 2.164 20 0 DEADHO CC[N@H+]1CCCN(C(=O)C[C@H]2NCc3ccccc32)[C@H](C)C1 ZINC001577773325 1066925381 /nfs/dbraw/zinc/92/53/81/1066925381.db2.gz BOXKYVFPDLMMKB-RHSMWYFYSA-N 1 3 301.434 2.164 20 0 DEADHO CN(C)Cc1ccc(NC(=O)CCSCCC[NH3+])c(F)c1 ZINC001578421182 1067094754 /nfs/dbraw/zinc/09/47/54/1067094754.db2.gz LGZREDXPBAROAO-UHFFFAOYSA-N 1 3 313.442 2.298 20 0 DEADHO CN(C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)[C@@H]1CCCN(C)C1 ZINC001578528308 1067124004 /nfs/dbraw/zinc/12/40/04/1067124004.db2.gz CVEXLDFBHBZLAZ-DLBZAZTESA-N 1 3 315.461 2.231 20 0 DEADHO CN1CCN(C(=O)c2ccc3c(c2)C[NH2+]C3)CC12CCCCC2 ZINC001578533037 1067127191 /nfs/dbraw/zinc/12/71/91/1067127191.db2.gz KYCDJYUTEYNTJV-UHFFFAOYSA-N 1 3 313.445 2.380 20 0 DEADHO C[NH2+][C@H]1CCCN(C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC001578598351 1067138423 /nfs/dbraw/zinc/13/84/23/1067138423.db2.gz KHMYAZUYMGLOLL-HNNXBMFYSA-N 1 3 300.406 2.115 20 0 DEADHO C[NH2+]C[C@H]1CCCN(CCC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001578657605 1067146137 /nfs/dbraw/zinc/14/61/37/1067146137.db2.gz ZICWTZZANKLSHX-CQSZACIVSA-N 1 3 311.470 2.175 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2F)C1)N(C)C ZINC001368610203 1148525495 /nfs/dbraw/zinc/52/54/95/1148525495.db2.gz SXXRANVNJOMGHH-QRTARXTBSA-N 1 3 321.440 2.150 20 0 DEADHO CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN(C)C(C)C ZINC001499497136 1067238850 /nfs/dbraw/zinc/23/88/50/1067238850.db2.gz IXAVNGFVBKHEBL-ALOPSCKCSA-N 1 3 309.498 2.484 20 0 DEADHO CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)CN(CC)CC ZINC001499506435 1067240692 /nfs/dbraw/zinc/24/06/92/1067240692.db2.gz ASVGAMVXMQHSTA-OWCLPIDISA-N 1 3 313.461 2.142 20 0 DEADHO CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)CN(CC)CC ZINC001499506435 1067240699 /nfs/dbraw/zinc/24/06/99/1067240699.db2.gz ASVGAMVXMQHSTA-OWCLPIDISA-N 1 3 313.461 2.142 20 0 DEADHO COc1ccc([C@H](CCO)NCc2cccc(C[NH3+])c2)cc1 ZINC001579193991 1067253363 /nfs/dbraw/zinc/25/33/63/1067253363.db2.gz IZRGQNXDDYDTRV-SFHVURJKSA-N 1 3 300.402 2.367 20 0 DEADHO Cc1cnc(C2CCN(C[C@H]3CCC4(C[NH2+]C4)O3)CC2)s1 ZINC001579823776 1067432842 /nfs/dbraw/zinc/43/28/42/1067432842.db2.gz ZILLKJWMQMYAKS-CQSZACIVSA-N 1 3 307.463 2.152 20 0 DEADHO CCC/C=C\CC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001267058918 1078536261 /nfs/dbraw/zinc/53/62/61/1078536261.db2.gz RAWUAIDPFAKJLF-FOSCPCJNSA-N 1 3 304.438 2.137 20 0 DEADHO CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)CCC)C2 ZINC001368612607 1148527908 /nfs/dbraw/zinc/52/79/08/1148527908.db2.gz UALKWAOCSXZAOV-SFHVURJKSA-N 1 3 309.498 2.443 20 0 DEADHO CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)CCC)C2 ZINC001368612607 1148527916 /nfs/dbraw/zinc/52/79/16/1148527916.db2.gz UALKWAOCSXZAOV-SFHVURJKSA-N 1 3 309.498 2.443 20 0 DEADHO CN(C)C1(C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C2CC2)CCC1 ZINC001483565059 1078600483 /nfs/dbraw/zinc/60/04/83/1078600483.db2.gz ATALEVKFTBFNBB-HNNXBMFYSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CCCF)C1CC1 ZINC001483593448 1078617150 /nfs/dbraw/zinc/61/71/50/1078617150.db2.gz WTKYAXSRMJTQLP-HZPDHXFCSA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)=CC[NH2+]CC1CC(NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001570561580 1068007802 /nfs/dbraw/zinc/00/78/02/1068007802.db2.gz YOJPJBXQFPSCSE-JCYILVPMSA-N 1 3 307.482 2.310 20 0 DEADHO C[C@@H](NC(=O)C(C)(C)N1CCCCC1)[C@H](C)[NH2+]CCCF ZINC001570604988 1068033455 /nfs/dbraw/zinc/03/34/55/1068033455.db2.gz OSTQELJTDJTAIT-UONOGXRCSA-N 1 3 301.450 2.093 20 0 DEADHO CC(C)=CC[N@@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001571331510 1068225773 /nfs/dbraw/zinc/22/57/73/1068225773.db2.gz YNJRKZGKJLYEIX-UHFFFAOYSA-N 1 3 307.482 2.360 20 0 DEADHO CC(C)=CC[N@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001571331510 1068225782 /nfs/dbraw/zinc/22/57/82/1068225782.db2.gz YNJRKZGKJLYEIX-UHFFFAOYSA-N 1 3 307.482 2.360 20 0 DEADHO C[C@H](C(=O)NC[C@H]1CC[N@@H+]1CC1CCC1)N1CCCCCC1 ZINC001483697834 1078817736 /nfs/dbraw/zinc/81/77/36/1078817736.db2.gz LLIAHTIOGPRSLZ-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H](C(=O)NC[C@H]1CC[N@H+]1CC1CCC1)N1CCCCCC1 ZINC001483697834 1078817742 /nfs/dbraw/zinc/81/77/42/1078817742.db2.gz LLIAHTIOGPRSLZ-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H](C(=O)NC[C@H]1CCN1CC1CCC1)[NH+]1CCCCCC1 ZINC001483697834 1078817750 /nfs/dbraw/zinc/81/77/50/1078817750.db2.gz LLIAHTIOGPRSLZ-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[NH2+][C@@H]2CCNC2)CC1 ZINC001573469087 1069008974 /nfs/dbraw/zinc/00/89/74/1069008974.db2.gz XPVOWJFZICBUHD-RBSFLKMASA-N 1 3 311.470 2.269 20 0 DEADHO CN(CC(=O)N(C)CC[NH2+]Cc1ccsc1)CC(C)(C)C ZINC001267429351 1078846177 /nfs/dbraw/zinc/84/61/77/1078846177.db2.gz YHRYZBRXVWEEPW-UHFFFAOYSA-N 1 3 311.495 2.274 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)CC[NH2+]Cc2ccc(CF)cc2)C1 ZINC001267428817 1078846210 /nfs/dbraw/zinc/84/62/10/1078846210.db2.gz CTHIRDGDQQAHEP-OAHLLOKOSA-N 1 3 321.440 2.046 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001272412356 1078855277 /nfs/dbraw/zinc/85/52/77/1078855277.db2.gz ASRHIBVOBUXAIJ-LJQANCHMSA-N 1 3 315.461 2.194 20 0 DEADHO CC(C)C[N@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001272412356 1078855290 /nfs/dbraw/zinc/85/52/90/1078855290.db2.gz ASRHIBVOBUXAIJ-LJQANCHMSA-N 1 3 315.461 2.194 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC001645516650 1078906144 /nfs/dbraw/zinc/90/61/44/1078906144.db2.gz GFQNESSFKLBPNX-HZPDHXFCSA-N 1 3 307.482 2.099 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC001645516649 1078906346 /nfs/dbraw/zinc/90/63/46/1078906346.db2.gz GFQNESSFKLBPNX-HOTGVXAUSA-N 1 3 307.482 2.099 20 0 DEADHO CN(C)CCN1CC2(CCC1=O)CC[NH+](CC1CCC1)CC2 ZINC001272519046 1078946196 /nfs/dbraw/zinc/94/61/96/1078946196.db2.gz ZUVNFTXOPJCPHI-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO N[C@@H](C(=O)N1C[C@@H](CC[NH3+])c2ccccc21)C1CCCCC1 ZINC001548578784 1072694981 /nfs/dbraw/zinc/69/49/81/1072694981.db2.gz MFBVHBGCEZDGRW-RHSMWYFYSA-N 1 3 301.434 2.373 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1(NCc2ccccc2)CC1 ZINC001483742788 1078978889 /nfs/dbraw/zinc/97/88/89/1078978889.db2.gz MMVORQDALZYGOC-QGZVFWFLSA-N 1 3 315.461 2.299 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCC1(NCc2ccccc2)CC1 ZINC001483742788 1078978895 /nfs/dbraw/zinc/97/88/95/1078978895.db2.gz MMVORQDALZYGOC-QGZVFWFLSA-N 1 3 315.461 2.299 20 0 DEADHO N[C@@H](CC1CCCCC1)C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001549025180 1072986328 /nfs/dbraw/zinc/98/63/28/1072986328.db2.gz KDABOVQGAUYZAG-NEPJUHHUSA-N 1 3 322.478 2.195 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)C1C[NH+](CC2CCCC2)C1)N(C)C ZINC001409895931 1079039794 /nfs/dbraw/zinc/03/97/94/1079039794.db2.gz DVRXGNYHFWNNLJ-YOEHRIQHSA-N 1 3 309.498 2.199 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2c2ccccc2)c1 ZINC001550078263 1073415553 /nfs/dbraw/zinc/41/55/53/1073415553.db2.gz WKUJSERIOGSPTD-RTBURBONSA-N 1 3 323.440 2.234 20 0 DEADHO CC(C)=CC[NH2+]CCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001649439881 1079120404 /nfs/dbraw/zinc/12/04/04/1079120404.db2.gz IREGFTHQKWKZOE-QGZVFWFLSA-N 1 3 313.461 2.213 20 0 DEADHO C[C@H]1C[NH2+]C[C@@H]1CN1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC001550349218 1073607082 /nfs/dbraw/zinc/60/70/82/1073607082.db2.gz KJTOIZTVVBCVEC-XJKSGUPXSA-N 1 3 318.465 2.447 20 0 DEADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](N[C@@H](C)c1cncs1)[C@@H](O)C2 ZINC001550351748 1073610728 /nfs/dbraw/zinc/61/07/28/1073610728.db2.gz LPRLWVZLRBPQGW-ABNPOPBRSA-N 1 3 309.479 2.273 20 0 DEADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](N[C@@H](C)c1cncs1)[C@@H](O)C2 ZINC001550351748 1073610731 /nfs/dbraw/zinc/61/07/31/1073610731.db2.gz LPRLWVZLRBPQGW-ABNPOPBRSA-N 1 3 309.479 2.273 20 0 DEADHO C[N@@H+]1C[C@H](CN[C@@H]2CO[C@@H](C3CC3)C2)[C@@H](c2ccccc2)C1 ZINC001550511978 1073683886 /nfs/dbraw/zinc/68/38/86/1073683886.db2.gz OPQWFNOCJLMCSI-INDMIFKZSA-N 1 3 300.446 2.489 20 0 DEADHO C[N@H+]1C[C@H](CN[C@@H]2CO[C@@H](C3CC3)C2)[C@@H](c2ccccc2)C1 ZINC001550511978 1073683891 /nfs/dbraw/zinc/68/38/91/1073683891.db2.gz OPQWFNOCJLMCSI-INDMIFKZSA-N 1 3 300.446 2.489 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1C[C@H](c2ccccc2)CO1 ZINC001550516755 1073687679 /nfs/dbraw/zinc/68/76/79/1073687679.db2.gz PHPBKCWVAKKDSR-QWJAOUKZSA-N 1 3 300.446 2.489 20 0 DEADHO CCCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001481096576 1079180296 /nfs/dbraw/zinc/18/02/96/1079180296.db2.gz TWBOODBIVJHWPB-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO CCCCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001481096576 1079180299 /nfs/dbraw/zinc/18/02/99/1079180299.db2.gz TWBOODBIVJHWPB-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]1C[NH2+]CCC1CC1)CC(C)(C)C ZINC001483945103 1079201406 /nfs/dbraw/zinc/20/14/06/1079201406.db2.gz OAWJEXKRIWVTFQ-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C[C@@H]4CCCC[C@@H]4C3=O)C[C@H]2C1 ZINC001551380552 1074197693 /nfs/dbraw/zinc/19/76/93/1074197693.db2.gz DMYHQWWTDREVGA-ILOCAZANSA-N 1 3 319.493 2.255 20 0 DEADHO O[C@@H]1CCCC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001551466517 1074230083 /nfs/dbraw/zinc/23/00/83/1074230083.db2.gz MTTAFGCDOXLBEY-QZTJIDSGSA-N 1 3 303.450 2.187 20 0 DEADHO CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001484057877 1079278880 /nfs/dbraw/zinc/27/88/80/1079278880.db2.gz MMLITYQTJBAMBN-DLBZAZTESA-N 1 3 313.461 2.190 20 0 DEADHO CCC[N@H+]1CC[C@](C)(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001484057877 1079278885 /nfs/dbraw/zinc/27/88/85/1079278885.db2.gz MMLITYQTJBAMBN-DLBZAZTESA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2CCCC[NH2+]C2)C1 ZINC001552387017 1074562727 /nfs/dbraw/zinc/56/27/27/1074562727.db2.gz LMEHVENSQUISMC-KBAYOESNSA-N 1 3 315.461 2.328 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CCCC[NH2+]C1 ZINC001552399422 1074567759 /nfs/dbraw/zinc/56/77/59/1074567759.db2.gz XOLGFOXVQXXDOX-BPQIPLTHSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCC[NH2+]C2)CN1Cc1ccccc1 ZINC001552425154 1074573866 /nfs/dbraw/zinc/57/38/66/1074573866.db2.gz ZUYWGNHGVKSLDJ-KBAYOESNSA-N 1 3 315.461 2.155 20 0 DEADHO [NH3+]Cc1ccccc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001646736607 1074587248 /nfs/dbraw/zinc/58/72/48/1074587248.db2.gz JGPKKKVINIICES-QGZVFWFLSA-N 1 3 309.413 2.150 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCCc2cc(CC[NH3+])ccc21 ZINC001646824588 1074636599 /nfs/dbraw/zinc/63/65/99/1074636599.db2.gz BDBNGCFMNFFPTE-GJZGRUSLSA-N 1 3 315.461 2.340 20 0 DEADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC[C@@]12CC[NH2+]C2 ZINC001646826111 1074637239 /nfs/dbraw/zinc/63/72/39/1074637239.db2.gz JCHLJPVUSHPFBX-IBGZPJMESA-N 1 3 313.445 2.251 20 0 DEADHO CC1(C)[C@H](NC(=O)C[C@@H]2NCc3ccccc32)[C@H]2CCC[NH2+][C@H]21 ZINC001552920287 1074694940 /nfs/dbraw/zinc/69/49/40/1074694940.db2.gz MJMLUIAECAAVCX-CWLKWCNXSA-N 1 3 313.445 2.114 20 0 DEADHO CC1(C)CC(C[NH2+]C[C@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001484115813 1079309891 /nfs/dbraw/zinc/30/98/91/1079309891.db2.gz XDWDORMDHKYTJD-SFHVURJKSA-N 1 3 318.465 2.217 20 0 DEADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001369280867 1148890009 /nfs/dbraw/zinc/89/00/09/1148890009.db2.gz BECICIMGLYXJSD-YOEHRIQHSA-N 1 3 323.456 2.411 20 0 DEADHO CN(C)CCN(Cc1ccccc1F)C(=O)C[NH2+]C(C)(C)C ZINC001647077840 1074782419 /nfs/dbraw/zinc/78/24/19/1074782419.db2.gz OFSBOPHBOBXXDH-UHFFFAOYSA-N 1 3 309.429 2.104 20 0 DEADHO CCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CN(C)CCC)C1 ZINC001484195750 1079352801 /nfs/dbraw/zinc/35/28/01/1079352801.db2.gz KJAIFDDTYLLZPP-CQSZACIVSA-N 1 3 319.440 2.202 20 0 DEADHO CCCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)CN(C)CCC)C1 ZINC001484195750 1079352804 /nfs/dbraw/zinc/35/28/04/1079352804.db2.gz KJAIFDDTYLLZPP-CQSZACIVSA-N 1 3 319.440 2.202 20 0 DEADHO Nc1cccc(CN2CCC(O)(C[NH+]3CCCCC3)CC2)c1 ZINC001560218258 1075133880 /nfs/dbraw/zinc/13/38/80/1075133880.db2.gz XMKIBZVFKYWJLQ-UHFFFAOYSA-N 1 3 303.450 2.082 20 0 DEADHO CC(C)[C@H](C(=O)NCCC[N@H+](C)Cc1ccc(F)cc1)N(C)C ZINC001566488638 1075259356 /nfs/dbraw/zinc/25/93/56/1075259356.db2.gz UTWVASUUGDGPJB-QGZVFWFLSA-N 1 3 323.456 2.350 20 0 DEADHO CC(C)[C@H](C(=O)NCCC[N@@H+](C)Cc1ccc(F)cc1)N(C)C ZINC001566488638 1075259357 /nfs/dbraw/zinc/25/93/57/1075259357.db2.gz UTWVASUUGDGPJB-QGZVFWFLSA-N 1 3 323.456 2.350 20 0 DEADHO CC/C=C/CC[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001566743409 1075333402 /nfs/dbraw/zinc/33/34/02/1075333402.db2.gz MULSWCGYWSYDLX-APHBUQMISA-N 1 3 318.465 2.479 20 0 DEADHO CC/C=C/CC[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001566743409 1075333411 /nfs/dbraw/zinc/33/34/11/1075333411.db2.gz MULSWCGYWSYDLX-APHBUQMISA-N 1 3 318.465 2.479 20 0 DEADHO CC/C=C/CC[N@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001267708909 1079396896 /nfs/dbraw/zinc/39/68/96/1079396896.db2.gz RKKHOIWFXKAMSZ-LAQIPUCWSA-N 1 3 307.482 2.219 20 0 DEADHO CC/C=C/CC[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001267708909 1079396904 /nfs/dbraw/zinc/39/69/04/1079396904.db2.gz RKKHOIWFXKAMSZ-LAQIPUCWSA-N 1 3 307.482 2.219 20 0 DEADHO c1ccc2sc(N3CCN(CCC4C[NH2+]C4)CC3)nc2c1 ZINC001580896450 1076017207 /nfs/dbraw/zinc/01/72/07/1076017207.db2.gz CFFMQJYGVQIMAU-UHFFFAOYSA-N 1 3 302.447 2.028 20 0 DEADHO C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589965587 1076538015 /nfs/dbraw/zinc/53/80/15/1076538015.db2.gz KWYSJLMWKLEDPP-MGPQQGTHSA-N 1 3 314.437 2.282 20 0 DEADHO C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589965587 1076538017 /nfs/dbraw/zinc/53/80/17/1076538017.db2.gz KWYSJLMWKLEDPP-MGPQQGTHSA-N 1 3 314.437 2.282 20 0 DEADHO C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC001650396119 1079586146 /nfs/dbraw/zinc/58/61/46/1079586146.db2.gz LOPWIAMNHAVAJQ-OWCLPIDISA-N 1 3 315.461 2.493 20 0 DEADHO CC1([NH+]2CCC2)CCC(NC(=O)c2ccc3c(c2)CNC3)CC1 ZINC001650396464 1079587161 /nfs/dbraw/zinc/58/71/61/1079587161.db2.gz CRVOKTSXDGBOCF-UHFFFAOYSA-N 1 3 313.445 2.427 20 0 DEADHO C[C@H]([NH2+]CCC1CC1)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001481334770 1079730388 /nfs/dbraw/zinc/73/03/88/1079730388.db2.gz NDUSLGJBWMEMPY-HNNXBMFYSA-N 1 3 321.509 2.488 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001481462564 1079909436 /nfs/dbraw/zinc/90/94/36/1079909436.db2.gz SZYYUIHSBGHEAB-MSOLQXFVSA-N 1 3 321.509 2.489 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001481462564 1079909441 /nfs/dbraw/zinc/90/94/41/1079909441.db2.gz SZYYUIHSBGHEAB-MSOLQXFVSA-N 1 3 321.509 2.489 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001481462570 1079909611 /nfs/dbraw/zinc/90/96/11/1079909611.db2.gz SZYYUIHSBGHEAB-ZWKOTPCHSA-N 1 3 321.509 2.489 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001481462570 1079909617 /nfs/dbraw/zinc/90/96/17/1079909617.db2.gz SZYYUIHSBGHEAB-ZWKOTPCHSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)N1CCc2ccccc2[C@H]1CNC(=O)CCC[NH+](C)C ZINC001485004147 1079913993 /nfs/dbraw/zinc/91/39/93/1079913993.db2.gz KHSPHLSOKYPYBN-GOSISDBHSA-N 1 3 317.477 2.452 20 0 DEADHO CC(C)N1CCc2ccccc2[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001485004148 1079914042 /nfs/dbraw/zinc/91/40/42/1079914042.db2.gz KHSPHLSOKYPYBN-SFHVURJKSA-N 1 3 317.477 2.452 20 0 DEADHO CCCC[N@H+](C)C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001481502117 1079960822 /nfs/dbraw/zinc/96/08/22/1079960822.db2.gz IUILQDAPXXUNLC-QGZVFWFLSA-N 1 3 309.498 2.299 20 0 DEADHO CCCC[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001481502117 1079960832 /nfs/dbraw/zinc/96/08/32/1079960832.db2.gz IUILQDAPXXUNLC-QGZVFWFLSA-N 1 3 309.498 2.299 20 0 DEADHO C[N@H+](C/C=C\Cl)CC1CCN(C(=O)c2cnns2)CC1 ZINC001481510834 1079974383 /nfs/dbraw/zinc/97/43/83/1079974383.db2.gz HHMPKFGSNZMAIF-GORDUTHDSA-N 1 3 314.842 2.075 20 0 DEADHO C[N@@H+](C/C=C\Cl)CC1CCN(C(=O)c2cnns2)CC1 ZINC001481510834 1079974389 /nfs/dbraw/zinc/97/43/89/1079974389.db2.gz HHMPKFGSNZMAIF-GORDUTHDSA-N 1 3 314.842 2.075 20 0 DEADHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCc1ccccc1F)N(C)C ZINC001268096178 1080068348 /nfs/dbraw/zinc/06/83/48/1080068348.db2.gz ZHVVAOOTFLMUMR-WMLDXEAASA-N 1 3 323.456 2.145 20 0 DEADHO CC(C)C[C@H](C[NH2+]C/C=C\Cl)NC(=O)CN1CC[C@@H](C)C1 ZINC001268110745 1080080724 /nfs/dbraw/zinc/08/07/24/1080080724.db2.gz IDFCKYSAKHSPIJ-FAKDPMAQSA-N 1 3 315.889 2.201 20 0 DEADHO CC[C@H](F)C[NH2+]CC(C)(C)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001485260720 1080095641 /nfs/dbraw/zinc/09/56/41/1080095641.db2.gz PAGYRUJNNKVOPD-CABCVRRESA-N 1 3 315.477 2.151 20 0 DEADHO Cc1cc(F)ccc1CN(C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485383820 1080187425 /nfs/dbraw/zinc/18/74/25/1080187425.db2.gz OMJCBOXFZBQLEU-GOEBONIOSA-N 1 3 321.440 2.022 20 0 DEADHO Cc1cc(F)ccc1CN(C)[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001485383820 1080187428 /nfs/dbraw/zinc/18/74/28/1080187428.db2.gz OMJCBOXFZBQLEU-GOEBONIOSA-N 1 3 321.440 2.022 20 0 DEADHO C[NH+](C)CC1(C(=O)N2C[C@@H]3C[C@H]2CN3CC2CC2)CCCCC1 ZINC001481675552 1080285584 /nfs/dbraw/zinc/28/55/84/1080285584.db2.gz RUXKSVWXJJEMFP-IRXDYDNUSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)N(C)CC(=O)N1CC2(C1)CCC[N@H+](CC1CCCC1)C2 ZINC001485665191 1080354727 /nfs/dbraw/zinc/35/47/27/1080354727.db2.gz CBJYJBOJAZGLQW-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)N(C)CC(=O)N1CC2(C1)CCC[N@@H+](CC1CCCC1)C2 ZINC001485665191 1080354733 /nfs/dbraw/zinc/35/47/33/1080354733.db2.gz CBJYJBOJAZGLQW-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C)nc1C)N(C)C ZINC001268376566 1080396102 /nfs/dbraw/zinc/39/61/02/1080396102.db2.gz YBHSDQTVTRSNJD-WMLDXEAASA-N 1 3 320.481 2.023 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(CC)CCNC/C=C\Cl ZINC001268457356 1080519534 /nfs/dbraw/zinc/51/95/34/1080519534.db2.gz YCXUZAXAYWXDCJ-IQCBXXCUSA-N 1 3 301.862 2.051 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)CCNC/C=C\Cl ZINC001268457356 1080519532 /nfs/dbraw/zinc/51/95/32/1080519532.db2.gz YCXUZAXAYWXDCJ-IQCBXXCUSA-N 1 3 301.862 2.051 20 0 DEADHO CCC[NH2+][C@@H](CC)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001481849136 1080548505 /nfs/dbraw/zinc/54/85/05/1080548505.db2.gz APDYERIFGHEPRP-BBRMVZONSA-N 1 3 301.450 2.093 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@](C)(C[NH2+]CCC(F)(F)F)C1CC1 ZINC001481951784 1080641401 /nfs/dbraw/zinc/64/14/01/1080641401.db2.gz NHOOTRGNZZWFMC-AWEZNQCLSA-N 1 3 323.403 2.154 20 0 DEADHO CC[C@H](F)C[NH2+]CCN(CC)C(=O)[C@H]1CCCCN1CC ZINC001268499665 1080648888 /nfs/dbraw/zinc/64/88/88/1080648888.db2.gz OLUNBIFVZLEZFY-LSDHHAIUSA-N 1 3 301.450 2.047 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]C/C=C/Cl)C1)N(C)C ZINC001481984284 1080669576 /nfs/dbraw/zinc/66/95/76/1080669576.db2.gz OAUZCZYRUNNLGL-AOEIMKSNSA-N 1 3 315.889 2.297 20 0 DEADHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC1CCC2(CC2)CC1 ZINC001268576771 1080796674 /nfs/dbraw/zinc/79/66/74/1080796674.db2.gz XITLPBDZKCOPIN-BAHPRDJBSA-N 1 3 319.493 2.313 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]CCCC(C)(C)C ZINC001482143402 1080856827 /nfs/dbraw/zinc/85/68/27/1080856827.db2.gz OGANZBTVCAORLM-HZPDHXFCSA-N 1 3 311.514 2.496 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001664314302 1080894247 /nfs/dbraw/zinc/89/42/47/1080894247.db2.gz YTUQHUXSCGUFFM-INIZCTEOSA-N 1 3 309.429 2.022 20 0 DEADHO CC(C)[C@H](C(=O)NC/C=C\C[NH2+]CC1CCCCC1)N(C)C ZINC001268617789 1080894512 /nfs/dbraw/zinc/89/45/12/1080894512.db2.gz TXZKARNSYSUYEP-XZVRFQMRSA-N 1 3 309.498 2.415 20 0 DEADHO CN(CCC[NH2+]CCC1=CCCCC1)C(=O)CN1CCCC1 ZINC001268949944 1081054585 /nfs/dbraw/zinc/05/45/85/1081054585.db2.gz GDKGPUQQLWYXMR-UHFFFAOYSA-N 1 3 307.482 2.411 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1CC[NH2+]CCC1CC1 ZINC001667290365 1081233444 /nfs/dbraw/zinc/23/34/44/1081233444.db2.gz KEUFJOCDNJODNP-MRXNPFEDSA-N 1 3 304.438 2.113 20 0 DEADHO CC[C@@H](C)C[NH2+]CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001269839506 1081378672 /nfs/dbraw/zinc/37/86/72/1081378672.db2.gz ZKGAGVRQXNNEPQ-WBVHZDCISA-N 1 3 309.498 2.345 20 0 DEADHO CC1CC(C[NH2+]CCC2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001269943846 1081406967 /nfs/dbraw/zinc/40/69/67/1081406967.db2.gz WBTBFNNSPAJBIP-UHFFFAOYSA-N 1 3 321.509 2.347 20 0 DEADHO CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\CNCc1ccsc1 ZINC001669208753 1081438457 /nfs/dbraw/zinc/43/84/57/1081438457.db2.gz VQGPXRIKTLDKOG-AWFCHZOYSA-N 1 3 321.490 2.385 20 0 DEADHO CC[N@H+]1CCCC[C@H]1C(=O)NC/C=C\CNCc1ccsc1 ZINC001669208753 1081438460 /nfs/dbraw/zinc/43/84/60/1081438460.db2.gz VQGPXRIKTLDKOG-AWFCHZOYSA-N 1 3 321.490 2.385 20 0 DEADHO CCC/C=C\CC[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001270189119 1081470811 /nfs/dbraw/zinc/47/08/11/1081470811.db2.gz YEHWKYJDHBYJBQ-VGOKWCNXSA-N 1 3 307.482 2.409 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC=C(C)C ZINC001270308972 1081498445 /nfs/dbraw/zinc/49/84/45/1081498445.db2.gz QHPQCFIBTYOSDA-SJORKVTESA-N 1 3 307.482 2.408 20 0 DEADHO C[C@@H]([NH2+]CCCN(C)C(=O)Cc1c[nH]cn1)c1ccc(F)cc1 ZINC001670261571 1081506580 /nfs/dbraw/zinc/50/65/80/1081506580.db2.gz QSPSWCLXTVUCEH-CYBMUJFWSA-N 1 3 318.396 2.291 20 0 DEADHO CCN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)C1CN(CC2CCCCC2)C1 ZINC000951749788 1081579895 /nfs/dbraw/zinc/57/98/95/1081579895.db2.gz HCAKANFHUIICCP-CRAIPNDOSA-N 1 3 321.509 2.297 20 0 DEADHO CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)C1CN(CC2CCCCC2)C1 ZINC000951749788 1081579901 /nfs/dbraw/zinc/57/99/01/1081579901.db2.gz HCAKANFHUIICCP-CRAIPNDOSA-N 1 3 321.509 2.297 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CCC2(CN(CC=C(C)C)C2)CC1 ZINC001270863851 1081766711 /nfs/dbraw/zinc/76/67/11/1081766711.db2.gz LCKNVAHBHBVAAC-UHFFFAOYSA-N 1 3 307.482 2.219 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CCC2(CN(CC=C(C)C)C2)CC1 ZINC001270863851 1081766719 /nfs/dbraw/zinc/76/67/19/1081766719.db2.gz LCKNVAHBHBVAAC-UHFFFAOYSA-N 1 3 307.482 2.219 20 0 DEADHO CC(C)=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001266451775 1082046016 /nfs/dbraw/zinc/04/60/16/1082046016.db2.gz GVDABJPHMSHULB-IRXDYDNUSA-N 1 3 307.482 2.217 20 0 DEADHO CC(C)=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001266451775 1082046022 /nfs/dbraw/zinc/04/60/22/1082046022.db2.gz GVDABJPHMSHULB-IRXDYDNUSA-N 1 3 307.482 2.217 20 0 DEADHO CC/C=C/CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001271562367 1082082424 /nfs/dbraw/zinc/08/24/24/1082082424.db2.gz SMQYTLFSWBRZTG-ADDHZHGLSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccccc1 ZINC001482532586 1082167755 /nfs/dbraw/zinc/16/77/55/1082167755.db2.gz GWJIPLBCCAJTQO-QGZVFWFLSA-N 1 3 317.477 2.401 20 0 DEADHO CN(CC[N@H+](C)CCCC1CCCC1)C(=O)[C@@H]1CCCN1C ZINC001482586264 1082281610 /nfs/dbraw/zinc/28/16/10/1082281610.db2.gz ISFULCSMWSYUHF-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CN(CC[N@@H+](C)CCCC1CCCC1)C(=O)[C@@H]1CCCN1C ZINC001482586264 1082281618 /nfs/dbraw/zinc/28/16/18/1082281618.db2.gz ISFULCSMWSYUHF-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCCC23CC[NH2+]CC3)CN1C1CC1 ZINC001648975926 1082297836 /nfs/dbraw/zinc/29/78/36/1082297836.db2.gz DYQRTSSAGSTIGJ-INMHGKMJSA-N 1 3 319.493 2.288 20 0 DEADHO CC[C@H](C(=O)N(C)CC[NH2+]Cc1cc2ccccc2o1)N(C)C ZINC001266741537 1082314013 /nfs/dbraw/zinc/31/40/13/1082314013.db2.gz XXCXPCADGKRKEX-MRXNPFEDSA-N 1 3 317.433 2.321 20 0 DEADHO [NH3+][C@@H](C(=O)NC[C@@H]1NCCc2ccccc21)C1CCCCCC1 ZINC001648984342 1082396841 /nfs/dbraw/zinc/39/68/41/1082396841.db2.gz BMAKVXMKLMSYGU-ZWKOTPCHSA-N 1 3 315.461 2.287 20 0 DEADHO CCCCC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)C(C)C)CC[C@@H]21 ZINC001482663661 1082442305 /nfs/dbraw/zinc/44/23/05/1082442305.db2.gz BNAWWCYWIVOUCT-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CCCCC[N@H+]1CC[C@H]2CN(C(=O)CN(C)C(C)C)CC[C@@H]21 ZINC001482663661 1082442309 /nfs/dbraw/zinc/44/23/09/1082442309.db2.gz BNAWWCYWIVOUCT-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H](CC[NH2+]CC=C(Cl)Cl)NC(=O)CN1CC[C@H](C)C1 ZINC001482870648 1082538101 /nfs/dbraw/zinc/53/81/01/1082538101.db2.gz FWSJVGSCZIJOHP-RYUDHWBXSA-N 1 3 322.280 2.132 20 0 DEADHO CCN(CCNCc1ccsc1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482925732 1082564535 /nfs/dbraw/zinc/56/45/35/1082564535.db2.gz XKEUTLDPEGKHLS-MRXNPFEDSA-N 1 3 321.490 2.028 20 0 DEADHO Cc1ccc(C)c(C[NH2+]C/C=C\CNC(=O)[C@H]2CCCN2C)c1 ZINC001482991337 1082611351 /nfs/dbraw/zinc/61/13/51/1082611351.db2.gz PMSDAPQWZDNWBX-PYTPGESOSA-N 1 3 315.461 2.160 20 0 DEADHO CC[C@H](C(=O)NC/C=C\C[NH2+][C@H](C)c1cccc(F)c1)N(C)C ZINC001483084006 1082696893 /nfs/dbraw/zinc/69/68/93/1082696893.db2.gz UQPLPRQLDSRVLM-FIXGOIDJSA-N 1 3 321.440 2.489 20 0 DEADHO CC[C@@H]([NH2+]C/C=C\CNC(=O)CN1CCCC1)c1ccccc1 ZINC001483093680 1082704435 /nfs/dbraw/zinc/70/44/35/1082704435.db2.gz SJZXFJOCZMKNMZ-HPFMTEOYSA-N 1 3 315.461 2.496 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[N@H+](C)CCc1cccs1 ZINC001496844537 1082786899 /nfs/dbraw/zinc/78/68/99/1082786899.db2.gz JIJXXICLBWNGGG-UHFFFAOYSA-N 1 3 311.495 2.021 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[N@@H+](C)CCc1cccs1 ZINC001496844537 1082786901 /nfs/dbraw/zinc/78/69/01/1082786901.db2.gz JIJXXICLBWNGGG-UHFFFAOYSA-N 1 3 311.495 2.021 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)C2CCC2)cc1 ZINC001409403359 1082869560 /nfs/dbraw/zinc/86/95/60/1082869560.db2.gz VVIXSUGIQLYKSZ-HZPDHXFCSA-N 1 3 317.477 2.462 20 0 DEADHO C[C@@H](C[NH2+]Cc1ccc(CF)cc1)NC(=O)CN1CC[C@H](C)C1 ZINC001483266794 1083065132 /nfs/dbraw/zinc/06/51/32/1083065132.db2.gz UFYOIUMZEVDZMV-GJZGRUSLSA-N 1 3 321.440 2.092 20 0 DEADHO CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)N(C)C)CCC[C@@H]12 ZINC001107451342 1083405746 /nfs/dbraw/zinc/40/57/46/1083405746.db2.gz UZDHMESJHPFDLE-JFIYKMOQSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)N(C)C)CCC[C@@H]12 ZINC001107451342 1083405750 /nfs/dbraw/zinc/40/57/50/1083405750.db2.gz UZDHMESJHPFDLE-JFIYKMOQSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107533937 1083466283 /nfs/dbraw/zinc/46/62/83/1083466283.db2.gz NXZICFFHVMFSEM-JFIYKMOQSA-N 1 3 309.498 2.343 20 0 DEADHO CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107533937 1083466291 /nfs/dbraw/zinc/46/62/91/1083466291.db2.gz NXZICFFHVMFSEM-JFIYKMOQSA-N 1 3 309.498 2.343 20 0 DEADHO CN(C)CC[N@@H+]1C[C@@H]2CCN(CCc3cccc(Cl)c3)[C@@H]2C1 ZINC001276703292 1083557627 /nfs/dbraw/zinc/55/76/27/1083557627.db2.gz KTQLWKCKNYEKAS-FUHWJXTLSA-N 1 3 321.896 2.450 20 0 DEADHO CN(C)CC[N@H+]1C[C@@H]2CCN(CCc3cccc(Cl)c3)[C@@H]2C1 ZINC001276703292 1083557637 /nfs/dbraw/zinc/55/76/37/1083557637.db2.gz KTQLWKCKNYEKAS-FUHWJXTLSA-N 1 3 321.896 2.450 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC1)CC2 ZINC001107646698 1083562802 /nfs/dbraw/zinc/56/28/02/1083562802.db2.gz QXSGMGLXQCGCJS-SJLPKXTDSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC1)CC2 ZINC001107646698 1083562813 /nfs/dbraw/zinc/56/28/13/1083562813.db2.gz QXSGMGLXQCGCJS-SJLPKXTDSA-N 1 3 307.482 2.097 20 0 DEADHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2CCCCc1ccccc1 ZINC001276745997 1083584309 /nfs/dbraw/zinc/58/43/09/1083584309.db2.gz FTXYNVGFLPCIAW-KDURUIRLSA-N 1 3 301.478 2.329 20 0 DEADHO CC(C)=CCN1CC([C@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001276388663 1083925091 /nfs/dbraw/zinc/92/50/91/1083925091.db2.gz JTKVQFQINKBLMU-DOTOQJQBSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)=CCN1CC([C@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001276388663 1083925098 /nfs/dbraw/zinc/92/50/98/1083925098.db2.gz JTKVQFQINKBLMU-DOTOQJQBSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]CCF)C1CC1 ZINC001485829865 1084139567 /nfs/dbraw/zinc/13/95/67/1084139567.db2.gz UHQHDTIHWMTVKR-HZPDHXFCSA-N 1 3 313.461 2.045 20 0 DEADHO CCOCCN1CCC[C@@]2(CCC[N@H+](CCn3ccnc3)C2)C1 ZINC001277857612 1084179411 /nfs/dbraw/zinc/17/94/11/1084179411.db2.gz IUDPBHZQTPFHCM-GOSISDBHSA-N 1 3 320.481 2.098 20 0 DEADHO CCOCCN1CCC[C@@]2(CCC[N@@H+](CCn3ccnc3)C2)C1 ZINC001277857612 1084179414 /nfs/dbraw/zinc/17/94/14/1084179414.db2.gz IUDPBHZQTPFHCM-GOSISDBHSA-N 1 3 320.481 2.098 20 0 DEADHO CCOCC[N@@H+]1CCC[C@@]2(CCCN(CCn3ccnc3)C2)C1 ZINC001277857612 1084179418 /nfs/dbraw/zinc/17/94/18/1084179418.db2.gz IUDPBHZQTPFHCM-GOSISDBHSA-N 1 3 320.481 2.098 20 0 DEADHO CCOCC[N@H+]1CCC[C@@]2(CCCN(CCn3ccnc3)C2)C1 ZINC001277857612 1084179422 /nfs/dbraw/zinc/17/94/22/1084179422.db2.gz IUDPBHZQTPFHCM-GOSISDBHSA-N 1 3 320.481 2.098 20 0 DEADHO FC1(F)CCNC[C@@]12CC[N@H+](Cc1ccc3c(c1)NCC3)C2 ZINC001235090083 1084308855 /nfs/dbraw/zinc/30/88/55/1084308855.db2.gz AGLPOEJRAMXRKH-MRXNPFEDSA-N 1 3 307.388 2.475 20 0 DEADHO FC1(F)CCNC[C@@]12CC[N@@H+](Cc1ccc3c(c1)NCC3)C2 ZINC001235090083 1084308862 /nfs/dbraw/zinc/30/88/62/1084308862.db2.gz AGLPOEJRAMXRKH-MRXNPFEDSA-N 1 3 307.388 2.475 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)C[C@@H]1CCN1CCCF ZINC001235338296 1084395496 /nfs/dbraw/zinc/39/54/96/1084395496.db2.gz WFUZLXGXGYDSSV-HOTGVXAUSA-N 1 3 313.461 2.142 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)C[C@@H]1CCN1CCCF ZINC001235338296 1084395504 /nfs/dbraw/zinc/39/55/04/1084395504.db2.gz WFUZLXGXGYDSSV-HOTGVXAUSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@@H]1CNCC(F)(F)[C@H]1CN1CC[NH2+][C@H](c2ccccc2)C1 ZINC001235859267 1084553511 /nfs/dbraw/zinc/55/35/11/1084553511.db2.gz MBJSNRVWSHAKOS-KBMXLJTQSA-N 1 3 309.404 2.124 20 0 DEADHO Cc1cc(CN2CCC[C@@H](N3CC([NH3+])C3)C2)ccc1OC(C)C ZINC001236079309 1084606760 /nfs/dbraw/zinc/60/67/60/1084606760.db2.gz QVFXGRBPMYKSKH-GOSISDBHSA-N 1 3 317.477 2.390 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCC1 ZINC000960488270 1085311843 /nfs/dbraw/zinc/31/18/43/1085311843.db2.gz QPZLIXRJOGFXFZ-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCC1 ZINC000960488270 1085311849 /nfs/dbraw/zinc/31/18/49/1085311849.db2.gz QPZLIXRJOGFXFZ-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[C@H](C(=O)NCC1=CC[N@H+](CC2CC(C)C2)CC1)N(C)C ZINC001486519509 1085402123 /nfs/dbraw/zinc/40/21/23/1085402123.db2.gz OHGMTFIWGWSCPQ-VMWRSERWSA-N 1 3 321.509 2.367 20 0 DEADHO CC(C)[C@H](C(=O)NCC1=CC[N@@H+](CC2CC(C)C2)CC1)N(C)C ZINC001486519509 1085402127 /nfs/dbraw/zinc/40/21/27/1085402127.db2.gz OHGMTFIWGWSCPQ-VMWRSERWSA-N 1 3 321.509 2.367 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCC1)N(C)C ZINC000960687716 1085413765 /nfs/dbraw/zinc/41/37/65/1085413765.db2.gz MFXJEJOPTPWACE-SJORKVTESA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC1)N(C)C ZINC000960687716 1085413770 /nfs/dbraw/zinc/41/37/70/1085413770.db2.gz MFXJEJOPTPWACE-SJORKVTESA-N 1 3 309.498 2.296 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCC1)N(C)C ZINC000960864284 1085488127 /nfs/dbraw/zinc/48/81/27/1085488127.db2.gz HIQFEDRDKPCRIH-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCC1)N(C)C ZINC000960864284 1085488131 /nfs/dbraw/zinc/48/81/31/1085488131.db2.gz HIQFEDRDKPCRIH-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CC3)C[C@H]21 ZINC000961942967 1085916133 /nfs/dbraw/zinc/91/61/33/1085916133.db2.gz FAQMBBMINJWFCG-XDNAFOTISA-N 1 3 319.493 2.096 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CC3)C[C@H]21 ZINC000961942967 1085916140 /nfs/dbraw/zinc/91/61/40/1085916140.db2.gz FAQMBBMINJWFCG-XDNAFOTISA-N 1 3 319.493 2.096 20 0 DEADHO CCc1cccc(C[NH2+]CCNC(=O)[C@@H](F)CN(CC)CC)c1 ZINC001128532925 1086186400 /nfs/dbraw/zinc/18/64/00/1086186400.db2.gz BMGRDMXGXQVEBD-KRWDZBQOSA-N 1 3 323.456 2.135 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963367374 1086428416 /nfs/dbraw/zinc/42/84/16/1086428416.db2.gz OSNMMDQJQPJFFK-DOTOQJQBSA-N 1 3 318.465 2.311 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963367374 1086428419 /nfs/dbraw/zinc/42/84/19/1086428419.db2.gz OSNMMDQJQPJFFK-DOTOQJQBSA-N 1 3 318.465 2.311 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001168762783 1087196423 /nfs/dbraw/zinc/19/64/23/1087196423.db2.gz IRECHHDOXHSPFV-CQSZACIVSA-N 1 3 309.429 2.324 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1ccc(C)c(F)c1 ZINC001168763142 1087352363 /nfs/dbraw/zinc/35/23/63/1087352363.db2.gz KSZHLFFRULGSDO-UHFFFAOYSA-N 1 3 309.429 2.072 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+]CC[C@H]1CCCC1(F)F ZINC001168764269 1087690850 /nfs/dbraw/zinc/69/08/50/1087690850.db2.gz WUAPHLHFKRJQID-CQSZACIVSA-N 1 3 319.440 2.250 20 0 DEADHO CC[N@H+](CC1CC1)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000957720801 1088571003 /nfs/dbraw/zinc/57/10/03/1088571003.db2.gz XKMNBDHFLBQHGX-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+](CC1CC1)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000957720801 1088571018 /nfs/dbraw/zinc/57/10/18/1088571018.db2.gz XKMNBDHFLBQHGX-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001080188590 1088667021 /nfs/dbraw/zinc/66/70/21/1088667021.db2.gz MJDYBSMNYNNYOZ-KBAYOESNSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001080188590 1088667032 /nfs/dbraw/zinc/66/70/32/1088667032.db2.gz MJDYBSMNYNNYOZ-KBAYOESNSA-N 1 3 321.509 2.343 20 0 DEADHO C[C@@H]1C[N@H+](CCC2CC2)C[C@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC001080188823 1088670657 /nfs/dbraw/zinc/67/06/57/1088670657.db2.gz UCWNQIHZHKQONO-OLMNPRSZSA-N 1 3 319.493 2.097 20 0 DEADHO C[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC001080188823 1088670665 /nfs/dbraw/zinc/67/06/65/1088670665.db2.gz UCWNQIHZHKQONO-OLMNPRSZSA-N 1 3 319.493 2.097 20 0 DEADHO Cc1ncsc1CN1CCC[C@]2(CC[N@@H+](CCN(C)C)C2)C1 ZINC001276323329 1088984446 /nfs/dbraw/zinc/98/44/46/1088984446.db2.gz XPMHBPLXEVYGKL-QGZVFWFLSA-N 1 3 322.522 2.301 20 0 DEADHO Cc1ncsc1CN1CCC[C@]2(CC[N@H+](CCN(C)C)C2)C1 ZINC001276323329 1088984464 /nfs/dbraw/zinc/98/44/64/1088984464.db2.gz XPMHBPLXEVYGKL-QGZVFWFLSA-N 1 3 322.522 2.301 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001080554117 1089061249 /nfs/dbraw/zinc/06/12/49/1089061249.db2.gz CCTGDCXSFDPVRR-BRWVUGGUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001080554117 1089061264 /nfs/dbraw/zinc/06/12/64/1089061264.db2.gz CCTGDCXSFDPVRR-BRWVUGGUSA-N 1 3 309.498 2.343 20 0 DEADHO CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)[C@H]1CCC[NH2+]1 ZINC000719958896 1089419699 /nfs/dbraw/zinc/41/96/99/1089419699.db2.gz MIHNJGYIFKNPEG-QZTJIDSGSA-N 1 3 315.461 2.252 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001082575476 1090010781 /nfs/dbraw/zinc/01/07/81/1090010781.db2.gz HXIJRWRUHMVTFU-OIISXLGYSA-N 1 3 323.525 2.445 20 0 DEADHO CC(C)[NH2+][C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001082743136 1090065931 /nfs/dbraw/zinc/06/59/31/1090065931.db2.gz JYWRTQXZKQOECK-CPUCHLNUSA-N 1 3 313.461 2.044 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC2)C1 ZINC001082783456 1090077767 /nfs/dbraw/zinc/07/77/67/1090077767.db2.gz ZVWSBYLCYTZCFT-OIISXLGYSA-N 1 3 307.482 2.096 20 0 DEADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CCC1CCCC1 ZINC001410383199 1090600764 /nfs/dbraw/zinc/60/07/64/1090600764.db2.gz KVWFOGOYNSFVEB-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001410403272 1090620371 /nfs/dbraw/zinc/62/03/71/1090620371.db2.gz ZNDKOTSIWMNBIW-WMLDXEAASA-N 1 3 323.456 2.411 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CC2CC2)CCCCC1 ZINC001120068125 1090638177 /nfs/dbraw/zinc/63/81/77/1090638177.db2.gz DBKQMTOEZQVYMT-UHFFFAOYSA-N 1 3 304.438 2.079 20 0 DEADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]C/C=C\c1ccccc1)N(C)C ZINC001410431212 1090646534 /nfs/dbraw/zinc/64/65/34/1090646534.db2.gz FSDTZAFEVXOYLL-LTKWUZHNSA-N 1 3 317.477 2.477 20 0 DEADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+][C@@H](C)c1ccccc1 ZINC001410458128 1090703138 /nfs/dbraw/zinc/70/31/38/1090703138.db2.gz ZFNWRFRZODMSIU-KBPBESRZSA-N 1 3 300.406 2.150 20 0 DEADHO C[C@H]([NH2+]C/C=C/CNC(=O)CN1CCCC1)c1cccc(F)c1 ZINC001274578504 1091307339 /nfs/dbraw/zinc/30/73/39/1091307339.db2.gz JHCLMCSJGIQBAC-FAAWYNLUSA-N 1 3 319.424 2.245 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@H]([NH2+]C/C=C\Cl)C(C)(C)C1)N(C)C ZINC001411101120 1091341112 /nfs/dbraw/zinc/34/11/12/1091341112.db2.gz KPSAFLYVRUXDPG-CQUCYFNQSA-N 1 3 315.889 2.152 20 0 DEADHO COCOCCC[N@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001274929266 1091479590 /nfs/dbraw/zinc/47/95/90/1091479590.db2.gz JNTIYJUZJHJPLV-CALCHBBNSA-N 1 3 321.465 2.169 20 0 DEADHO COCOCCC[N@@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001274929266 1091479594 /nfs/dbraw/zinc/47/95/94/1091479594.db2.gz JNTIYJUZJHJPLV-CALCHBBNSA-N 1 3 321.465 2.169 20 0 DEADHO Cc1ccccc1C[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C ZINC001276174058 1091644024 /nfs/dbraw/zinc/64/40/24/1091644024.db2.gz OCRPIRUANLWNNG-QGZVFWFLSA-N 1 3 303.450 2.027 20 0 DEADHO CN(C)CC[N@@H+]1C[C@@H]2CCN(Cc3cccc(Cl)c3)[C@@H]2C1 ZINC001275302367 1091660123 /nfs/dbraw/zinc/66/01/23/1091660123.db2.gz AKSMATWTGHXZOI-DOTOQJQBSA-N 1 3 307.869 2.408 20 0 DEADHO CN(C)CC[N@H+]1C[C@@H]2CCN(Cc3cccc(Cl)c3)[C@@H]2C1 ZINC001275302367 1091660130 /nfs/dbraw/zinc/66/01/30/1091660130.db2.gz AKSMATWTGHXZOI-DOTOQJQBSA-N 1 3 307.869 2.408 20 0 DEADHO Cn1ccnc1CN1C[C@@H]2CC[N@@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001276228878 1091718398 /nfs/dbraw/zinc/71/83/98/1091718398.db2.gz ASMUSNAZGPVTMN-IYBDPMFKSA-N 1 3 313.449 2.092 20 0 DEADHO Cn1ccnc1CN1C[C@@H]2CC[N@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001276228878 1091718405 /nfs/dbraw/zinc/71/84/05/1091718405.db2.gz ASMUSNAZGPVTMN-IYBDPMFKSA-N 1 3 313.449 2.092 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)CCC[NH2+]Cc2ccsc2)C1 ZINC001276226804 1091718777 /nfs/dbraw/zinc/71/87/77/1091718777.db2.gz JQGYJMKNRNSFET-AWEZNQCLSA-N 1 3 309.479 2.028 20 0 DEADHO Cn1nccc1C[N@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001276281618 1091763912 /nfs/dbraw/zinc/76/39/12/1091763912.db2.gz MJWFPQHJHAJIFH-IYBDPMFKSA-N 1 3 313.449 2.092 20 0 DEADHO Cn1nccc1C[N@@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001276281618 1091763917 /nfs/dbraw/zinc/76/39/17/1091763917.db2.gz MJWFPQHJHAJIFH-IYBDPMFKSA-N 1 3 313.449 2.092 20 0 DEADHO CC1CCN(CC(=O)N(C)CCC[NH2+]CC2CCCC2)CC1 ZINC001276296853 1091770497 /nfs/dbraw/zinc/77/04/97/1091770497.db2.gz FJFNUSRGBIHCBF-UHFFFAOYSA-N 1 3 309.498 2.347 20 0 DEADHO C[NH+](C)CCN1CC2(C1)CN(Cc1ccccc1-n1cccc1)C2 ZINC001275601990 1091903116 /nfs/dbraw/zinc/90/31/16/1091903116.db2.gz QGEZHGGIOAIBJB-UHFFFAOYSA-N 1 3 324.472 2.157 20 0 DEADHO CCCC[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC000948765930 1091922902 /nfs/dbraw/zinc/92/29/02/1091922902.db2.gz DVACRBKEIWOEPI-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@H+]1CCC[C@@H](N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC000948765930 1091922909 /nfs/dbraw/zinc/92/29/09/1091922909.db2.gz DVACRBKEIWOEPI-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CCN(CC[NH2+]CCC1CCCC1)C(=O)CN1CC[C@@H](C)C1 ZINC001273611169 1091953495 /nfs/dbraw/zinc/95/34/95/1091953495.db2.gz UVODIGAUKHADBI-MRXNPFEDSA-N 1 3 309.498 2.347 20 0 DEADHO CCN(CCNCc1ccccc1F)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001273610277 1091954030 /nfs/dbraw/zinc/95/40/30/1091954030.db2.gz KHOWLZPUCQLKHL-HNNXBMFYSA-N 1 3 321.440 2.106 20 0 DEADHO CCN(CCNCc1ccccc1F)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001273610277 1091954039 /nfs/dbraw/zinc/95/40/39/1091954039.db2.gz KHOWLZPUCQLKHL-HNNXBMFYSA-N 1 3 321.440 2.106 20 0 DEADHO CCN(CC[NH2+]CC[C@H](C)F)C(=O)[C@@H]1CCCCN1C(C)C ZINC001273646013 1091970560 /nfs/dbraw/zinc/97/05/60/1091970560.db2.gz QLEKWGUPSQPHST-HOTGVXAUSA-N 1 3 315.477 2.436 20 0 DEADHO COc1cc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)ccc1C ZINC001275963300 1092385390 /nfs/dbraw/zinc/38/53/90/1092385390.db2.gz RITDYNQJFDVDJB-ROUUACIJSA-N 1 3 317.477 2.214 20 0 DEADHO COc1cc(CN2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)ccc1C ZINC001275963300 1092385402 /nfs/dbraw/zinc/38/54/02/1092385402.db2.gz RITDYNQJFDVDJB-ROUUACIJSA-N 1 3 317.477 2.214 20 0 DEADHO CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCOc1ccccc1 ZINC001275995265 1092465622 /nfs/dbraw/zinc/46/56/22/1092465622.db2.gz QSPGZNIRVKDZPJ-AYHJJNSGSA-N 1 3 317.477 2.212 20 0 DEADHO CC(C)=CCN1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001489311675 1093033954 /nfs/dbraw/zinc/03/39/54/1093033954.db2.gz ICGZKGJJPVZCAL-SJORKVTESA-N 1 3 307.482 2.408 20 0 DEADHO Cc1cccc(CN2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001490448974 1093364993 /nfs/dbraw/zinc/36/49/93/1093364993.db2.gz JDABYFOCHZCQHR-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO Cc1cccc(C(C)(C)NCC(=O)NC2CC[NH+](C)CC2)c1 ZINC000878363816 1093678764 /nfs/dbraw/zinc/67/87/64/1093678764.db2.gz AHDRLJWVTDLEKK-UHFFFAOYSA-N 1 3 303.450 2.030 20 0 DEADHO CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1c(C)cccc1C)N(C)C ZINC001274125463 1093809433 /nfs/dbraw/zinc/80/94/33/1093809433.db2.gz QBUUZKOPWARBAL-JTHGQSKGSA-N 1 3 317.477 2.406 20 0 DEADHO CC(C)N(C/C=C/Cl)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001691747380 1138317550 /nfs/dbraw/zinc/31/75/50/1138317550.db2.gz GIZADFIVHHGRHO-XBXARRHUSA-N 1 3 315.889 2.297 20 0 DEADHO C[C@H]([NH3+])CN1CCC2(C[C@@H](N(C)Cc3cccs3)CO2)CC1 ZINC001235524333 1138331276 /nfs/dbraw/zinc/33/12/76/1138331276.db2.gz BZUHKUKKZBQYHZ-LSDHHAIUSA-N 1 3 323.506 2.151 20 0 DEADHO CC(C)C[N@H+](C[C@H]1[C@H](C)CNCC1(F)F)[C@@H]1CCCNC1 ZINC001236472627 1138366780 /nfs/dbraw/zinc/36/67/80/1138366780.db2.gz AGVFQRMAUVQXRD-KFWWJZLASA-N 1 3 303.441 2.187 20 0 DEADHO CC(C)C[N@@H+](C[C@H]1[C@H](C)CNCC1(F)F)[C@@H]1CCCNC1 ZINC001236472627 1138366786 /nfs/dbraw/zinc/36/67/86/1138366786.db2.gz AGVFQRMAUVQXRD-KFWWJZLASA-N 1 3 303.441 2.187 20 0 DEADHO C(c1nc2c(s1)CNCC2)N([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236654780 1138390979 /nfs/dbraw/zinc/39/09/79/1138390979.db2.gz RDDQJTVDPCKDJJ-AWEZNQCLSA-N 1 3 320.506 2.285 20 0 DEADHO Cc1ncsc1CN1CCC2(CN(CC[NH+]3CCCC3)C2)C1 ZINC001278060944 1138518049 /nfs/dbraw/zinc/51/80/49/1138518049.db2.gz ZXUGKYXFCFQSMT-UHFFFAOYSA-N 1 3 320.506 2.055 20 0 DEADHO Fc1cccc2c1CC[C@@]21CCC[N@H+](CC[C@H]2CNCCO2)C1 ZINC001237189011 1138523605 /nfs/dbraw/zinc/52/36/05/1138523605.db2.gz SPAFXFOZDHNEFV-HNAYVOBHSA-N 1 3 318.436 2.484 20 0 DEADHO Fc1cccc2c1CC[C@@]21CCC[N@@H+](CC[C@H]2CNCCO2)C1 ZINC001237189011 1138523615 /nfs/dbraw/zinc/52/36/15/1138523615.db2.gz SPAFXFOZDHNEFV-HNAYVOBHSA-N 1 3 318.436 2.484 20 0 DEADHO O=C(NC[C@H]1CCC2(CCNCC2)[NH2+]1)Nc1cccc(Cl)c1 ZINC001239218283 1138992214 /nfs/dbraw/zinc/99/22/14/1138992214.db2.gz XVWBZRVXVOQELS-CQSZACIVSA-N 1 3 322.840 2.336 20 0 DEADHO CC(C)N1CCN(c2ccc(C=C3CC[NH2+]CC3)cn2)CC1 ZINC001240876366 1139670864 /nfs/dbraw/zinc/67/08/64/1139670864.db2.gz XVBYQDQKUODRRT-UHFFFAOYSA-N 1 3 300.450 2.379 20 0 DEADHO CC(C)=CCN(C)CCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001320016111 1140812487 /nfs/dbraw/zinc/81/24/87/1140812487.db2.gz HZRNIKOLYCWXDL-QGZVFWFLSA-N 1 3 309.498 2.463 20 0 DEADHO CC(C)=CCN(C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001320016111 1140812488 /nfs/dbraw/zinc/81/24/88/1140812488.db2.gz HZRNIKOLYCWXDL-QGZVFWFLSA-N 1 3 309.498 2.463 20 0 DEADHO CC(C)(C)c1ccc(OC[C@@H](O)CNC[C@H]2CCC[NH2+]C2)cc1 ZINC001245984082 1140841565 /nfs/dbraw/zinc/84/15/65/1140841565.db2.gz UZEFLXAOVADPLG-RDJZCZTQSA-N 1 3 320.477 2.313 20 0 DEADHO CC(C)c1ccc(OC[C@H](O)CNC[C@H]2C[NH2+]C[C@@H](C)C2)cc1 ZINC001245994173 1140843728 /nfs/dbraw/zinc/84/37/28/1140843728.db2.gz QIDGMTMDZDOAAA-LZLYRXPVSA-N 1 3 320.477 2.385 20 0 DEADHO O[C@@H](CN[C@@H](c1cccc(F)c1)C1CC[NH2+]CC1)C(F)(F)F ZINC001245999531 1140844171 /nfs/dbraw/zinc/84/41/71/1140844171.db2.gz KPBHEQCJPKXUSZ-UONOGXRCSA-N 1 3 320.330 2.379 20 0 DEADHO F[C@@H]1CNCC[C@H]1N[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001246085855 1140859109 /nfs/dbraw/zinc/85/91/09/1140859109.db2.gz JMWXWKAAMUAEPZ-RCCFBDPRSA-N 1 3 305.441 2.331 20 0 DEADHO F[C@@H]1CNCC[C@H]1N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246085855 1140859110 /nfs/dbraw/zinc/85/91/10/1140859110.db2.gz JMWXWKAAMUAEPZ-RCCFBDPRSA-N 1 3 305.441 2.331 20 0 DEADHO O=C1CC[C@@H](N[C@H]2CCCC[NH2+]C2)CCN1Cc1ccccc1 ZINC001246092106 1140860451 /nfs/dbraw/zinc/86/04/51/1140860451.db2.gz RXYFXNZTGKURBJ-MSOLQXFVSA-N 1 3 315.461 2.299 20 0 DEADHO CCOC(=O)[C@@H]1CC12CCC(NC[C@@H]1CC[C@H](C)C[NH2+]1)CC2 ZINC001246104946 1140861183 /nfs/dbraw/zinc/86/11/83/1140861183.db2.gz KYJLXENQRBHJIG-GZOJWHRLSA-N 1 3 308.466 2.476 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CCC2CCN(C(=O)C(C)(C)C)CC2)CCN1 ZINC001246258616 1140878897 /nfs/dbraw/zinc/87/88/97/1140878897.db2.gz XRVYPGQKYFPIKV-HOCLYGCPSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC(=O)N(Cc3ccccc3)C2)CCN1 ZINC001246327062 1140884252 /nfs/dbraw/zinc/88/42/52/1140884252.db2.gz HQQZUFXGHJQUGR-BPQIPLTHSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3cccc(F)c3)CC2)CCN1 ZINC001246354631 1140887287 /nfs/dbraw/zinc/88/72/87/1140887287.db2.gz XLVYUBGAVXHCAW-DYVFJYSZSA-N 1 3 319.424 2.160 20 0 DEADHO O=C(c1ccccc1)N1CCC[C@H](N[C@@H]2CCC[NH2+]C2)CC1 ZINC001246358916 1140888425 /nfs/dbraw/zinc/88/84/25/1140888425.db2.gz RFKQUXYXMTWONB-DLBZAZTESA-N 1 3 301.434 2.023 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CC2(Cc3ccncc3)CCOCC2)CCN1 ZINC001246387847 1140892189 /nfs/dbraw/zinc/89/21/89/1140892189.db2.gz LHMFBFMYWGXHSD-RDJZCZTQSA-N 1 3 303.450 2.151 20 0 DEADHO NC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001246420703 1140896661 /nfs/dbraw/zinc/89/66/61/1140896661.db2.gz YTTYEWHUZCCDNB-BBWFWOEESA-N 1 3 303.450 2.285 20 0 DEADHO O=C1c2ccccc2CN1[C@H]1CC[C@H]([NH2+]C2CCNCC2)CC1 ZINC001246438436 1140898899 /nfs/dbraw/zinc/89/88/99/1140898899.db2.gz PTCQIJNEOBOVEU-JCNLHEQBSA-N 1 3 313.445 2.295 20 0 DEADHO C[C@H]1CC(N2C[C@@H](F)[C@@H](N)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001246525688 1140934905 /nfs/dbraw/zinc/93/49/05/1140934905.db2.gz KJEGUDLURUZZNQ-ZZCKCESHSA-N 1 3 305.441 2.409 20 0 DEADHO COc1ccc(CCN(C[C@H](C)O)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246533330 1140938499 /nfs/dbraw/zinc/93/84/99/1140938499.db2.gz MJGNFAOUVRDORA-QTXGHNMQSA-N 1 3 318.461 2.204 20 0 DEADHO COc1cc(C[C@H](C)N2C[C@H](C)[C@H](C[NH3+])C2)cc(OC)c1OC ZINC001246544813 1140950991 /nfs/dbraw/zinc/95/09/91/1140950991.db2.gz ZLNVIYMZOLRSTC-KCQAQPDRSA-N 1 3 322.449 2.170 20 0 DEADHO C[C@]1([NH3+])CCCN(C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC001246547234 1140951970 /nfs/dbraw/zinc/95/19/70/1140951970.db2.gz BWCOLDHGJVEPKE-IBGZPJMESA-N 1 3 315.461 2.495 20 0 DEADHO CC1(C)CC([N@@H+]2CCC(F)(F)[C@H](CN)C2)CC(C)(C)N1O ZINC001246559115 1140962641 /nfs/dbraw/zinc/96/26/41/1140962641.db2.gz ROVZFSKOECUMBZ-LLVKDONJSA-N 1 3 305.413 2.313 20 0 DEADHO CC1(C)CC([N@H+]2CCC(F)(F)[C@H](CN)C2)CC(C)(C)N1O ZINC001246559115 1140962649 /nfs/dbraw/zinc/96/26/49/1140962649.db2.gz ROVZFSKOECUMBZ-LLVKDONJSA-N 1 3 305.413 2.313 20 0 DEADHO N[C@@H]1CC[N@@H+](C2CCC3(CCc4ccccc43)CC2)C[C@H]1O ZINC001246572922 1140974704 /nfs/dbraw/zinc/97/47/04/1140974704.db2.gz XZIHQJZCSFSASW-KNCVXQGMSA-N 1 3 300.446 2.207 20 0 DEADHO N[C@@H]1CC[N@H+](C2CCC3(CCc4ccccc43)CC2)C[C@H]1O ZINC001246572922 1140974723 /nfs/dbraw/zinc/97/47/23/1140974723.db2.gz XZIHQJZCSFSASW-KNCVXQGMSA-N 1 3 300.446 2.207 20 0 DEADHO [NH3+][C@@H]1CCN(C2CCC3(CCc4ccccc43)CC2)C[C@H]1O ZINC001246572922 1140974751 /nfs/dbraw/zinc/97/47/51/1140974751.db2.gz XZIHQJZCSFSASW-KNCVXQGMSA-N 1 3 300.446 2.207 20 0 DEADHO CCOC(=O)[C@@]12C[N@@H+](C3CCC(C)CC3)C[C@@H]1CNCCC2 ZINC001246600148 1141000434 /nfs/dbraw/zinc/00/04/34/1141000434.db2.gz CZYORQUIGAGTLU-OQGULXLBSA-N 1 3 308.466 2.430 20 0 DEADHO CCOC(=O)[C@@]12C[N@H+](C3CCC(C)CC3)C[C@@H]1CNCCC2 ZINC001246600148 1141000440 /nfs/dbraw/zinc/00/04/40/1141000440.db2.gz CZYORQUIGAGTLU-OQGULXLBSA-N 1 3 308.466 2.430 20 0 DEADHO CCC[C@H](C)CC[C@H](C)[N@@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246624892 1141008444 /nfs/dbraw/zinc/00/84/44/1141008444.db2.gz GNLYPHSOFSUIGA-MPGHIAIKSA-N 1 3 307.482 2.003 20 0 DEADHO CCC[C@H](C)CC[C@H](C)[N@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246624892 1141008454 /nfs/dbraw/zinc/00/84/54/1141008454.db2.gz GNLYPHSOFSUIGA-MPGHIAIKSA-N 1 3 307.482 2.003 20 0 DEADHO CCCCC[C@@H](CCC)[N@@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246625971 1141010774 /nfs/dbraw/zinc/01/07/74/1141010774.db2.gz IQMZWNXNGNTIFG-QAPCUYQASA-N 1 3 307.482 2.147 20 0 DEADHO CCCCC[C@@H](CCC)[N@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246625971 1141010781 /nfs/dbraw/zinc/01/07/81/1141010781.db2.gz IQMZWNXNGNTIFG-QAPCUYQASA-N 1 3 307.482 2.147 20 0 DEADHO CCOC(=O)c1ccc(C[C@H](C)N2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246631776 1141012591 /nfs/dbraw/zinc/01/25/91/1141012591.db2.gz SCFJVFYWEFHPHU-KXBFYZLASA-N 1 3 316.445 2.480 20 0 DEADHO CC[C@@H](Cc1ccc2c(c1)OCO2)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246668974 1141029906 /nfs/dbraw/zinc/02/99/06/1141029906.db2.gz RAVGOIXTWIRRKC-OAGGEKHMSA-N 1 3 302.418 2.278 20 0 DEADHO C[C@@H]1C[C@@H](N2CCC3(CC2)C(=O)N[C@@H]3c2ccccc2)CC[NH2+]1 ZINC001246774308 1141055446 /nfs/dbraw/zinc/05/54/46/1141055446.db2.gz LTDFECBPWSABRY-HYVNUMGLSA-N 1 3 313.445 2.080 20 0 DEADHO C[C@@H]1C[C@@H]([NH+]2CCC3(CC2)C(=O)N[C@@H]3c2ccccc2)CCN1 ZINC001246774308 1141055455 /nfs/dbraw/zinc/05/54/55/1141055455.db2.gz LTDFECBPWSABRY-HYVNUMGLSA-N 1 3 313.445 2.080 20 0 DEADHO CC(C)(C)[C@@H]1C[C@@H](N2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)CC[NH2+]1 ZINC001246777742 1141056955 /nfs/dbraw/zinc/05/69/55/1141056955.db2.gz VVHQLPAQAZOQKC-AVEIZBFRSA-N 1 3 322.493 2.279 20 0 DEADHO Brc1cccc([C@H]2CN([C@@H]3CCC[NH2+]C3)CCN2)c1 ZINC001246807355 1141068486 /nfs/dbraw/zinc/06/84/86/1141068486.db2.gz QMJTWNNOUVTJPR-HUUCEWRRSA-N 1 3 324.266 2.147 20 0 DEADHO C[C@H]1C[C@@H](N2CCCN(Cc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001246824381 1141077049 /nfs/dbraw/zinc/07/70/49/1141077049.db2.gz RMHVOUCFLWUDPS-YJBOKZPZSA-N 1 3 305.441 2.474 20 0 DEADHO C[C@@H]1C[C@H]([N@@H+]2CCCC[C@@H]2[C@@H](C(N)=O)c2ccccc2)CCN1 ZINC001246848315 1141084900 /nfs/dbraw/zinc/08/49/00/1141084900.db2.gz OCRUFLRCEBLQRW-DDBAPUKQSA-N 1 3 315.461 2.251 20 0 DEADHO C[C@@H]1C[C@H]([N@H+]2CCCC[C@@H]2[C@@H](C(N)=O)c2ccccc2)CCN1 ZINC001246848315 1141084908 /nfs/dbraw/zinc/08/49/08/1141084908.db2.gz OCRUFLRCEBLQRW-DDBAPUKQSA-N 1 3 315.461 2.251 20 0 DEADHO c1cc(CN2CCC(N3CC[C@H]4[NH2+]CCC[C@H]4C3)CC2)ccn1 ZINC001247013105 1141242148 /nfs/dbraw/zinc/24/21/48/1141242148.db2.gz FUIPEGUPIABIKD-PKOBYXMFSA-N 1 3 314.477 2.120 20 0 DEADHO CC(C)=CC[NH2+]C[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001321992639 1141378350 /nfs/dbraw/zinc/37/83/50/1141378350.db2.gz YZBJHKFTYVNTAY-YOEHRIQHSA-N 1 3 313.461 2.259 20 0 DEADHO FC(F)(F)c1ccccc1-c1noc([C@H]2CNCC23C[NH2+]C3)n1 ZINC001247828670 1141542897 /nfs/dbraw/zinc/54/28/97/1141542897.db2.gz FAEDDQUKKDHJRL-LLVKDONJSA-N 1 3 324.306 2.032 20 0 DEADHO FC(F)(F)c1cccc(-c2noc([C@H]3CNCC34C[NH2+]C4)n2)c1 ZINC001247831605 1141544391 /nfs/dbraw/zinc/54/43/91/1141544391.db2.gz UOWNJPDVBGQXQJ-LLVKDONJSA-N 1 3 324.306 2.032 20 0 DEADHO c1cc2cc(-c3noc(C45CNCC4C[NH2+]C5)n3)ccc2s1 ZINC001247849220 1141559301 /nfs/dbraw/zinc/55/93/01/1141559301.db2.gz BCWMGRPXKQXAFS-UHFFFAOYSA-N 1 3 312.398 2.012 20 0 DEADHO CC(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001278564795 1142179883 /nfs/dbraw/zinc/17/98/83/1142179883.db2.gz LJLAJOMPLAIAQC-HOTGVXAUSA-N 1 3 309.498 2.391 20 0 DEADHO CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001278583320 1142242303 /nfs/dbraw/zinc/24/23/03/1142242303.db2.gz YHWJSTBEDCFXPP-WMZOPIPTSA-N 1 3 309.498 2.489 20 0 DEADHO COc1cccc([C@@H](O)CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001250740718 1142300984 /nfs/dbraw/zinc/30/09/84/1142300984.db2.gz XGWBVCZNZOTDQG-DFGXFYAUSA-N 1 3 304.434 2.334 20 0 DEADHO COc1cccc([C@@H](O)CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001250740718 1142300993 /nfs/dbraw/zinc/30/09/93/1142300993.db2.gz XGWBVCZNZOTDQG-DFGXFYAUSA-N 1 3 304.434 2.334 20 0 DEADHO O[C@H](C[NH2+]CCCN1CCCCC1)COc1cccc(F)c1 ZINC001250826482 1142328112 /nfs/dbraw/zinc/32/81/12/1142328112.db2.gz JBCODEPZPIMNQD-MRXNPFEDSA-N 1 3 310.413 2.031 20 0 DEADHO C[NH+](C)[C@H]1C[C@@H](NC[C@@H](O)CCOCc2ccccc2)C1(C)C ZINC001336835073 1142589967 /nfs/dbraw/zinc/58/99/67/1142589967.db2.gz ZKFXCYJFBHNRIT-KSZLIROESA-N 1 3 320.477 2.273 20 0 DEADHO CN(C)CCC[N@H+](C)C[C@H](O)COc1cccc2ccccc21 ZINC001252372412 1142698159 /nfs/dbraw/zinc/69/81/59/1142698159.db2.gz JXIPFSIDSCWZNG-KRWDZBQOSA-N 1 3 316.445 2.463 20 0 DEADHO CN(C)CCC[N@@H+](C)C[C@H](O)COc1cccc2ccccc21 ZINC001252372412 1142698174 /nfs/dbraw/zinc/69/81/74/1142698174.db2.gz JXIPFSIDSCWZNG-KRWDZBQOSA-N 1 3 316.445 2.463 20 0 DEADHO O[C@@H](C[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1)c1ccc(F)cc1 ZINC001252866807 1142824912 /nfs/dbraw/zinc/82/49/12/1142824912.db2.gz FQMPWLGLHKICDO-BZSNNMDCSA-N 1 3 322.424 2.092 20 0 DEADHO C[C@](O)(C[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1)c1ccccc1 ZINC001253122393 1142846733 /nfs/dbraw/zinc/84/67/33/1142846733.db2.gz TVDRXFAQXDUPPE-FHWLQOOXSA-N 1 3 318.461 2.127 20 0 DEADHO CC[NH+](CC)C[C@@H](O)CNCCCc1c[nH]c2ccccc12 ZINC001253204986 1142854211 /nfs/dbraw/zinc/85/42/11/1142854211.db2.gz ZUHPZBLNPGPGQB-INIZCTEOSA-N 1 3 303.450 2.393 20 0 DEADHO CC[NH+](CC)C[C@@H](O)CN[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001253211217 1142854565 /nfs/dbraw/zinc/85/45/65/1142854565.db2.gz UJVQUTWKADBIHD-SJORKVTESA-N 1 3 310.869 2.490 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCNC[C@H](O)CC1(CO)CCCC1 ZINC001338447661 1142856614 /nfs/dbraw/zinc/85/66/14/1142856614.db2.gz OBWZUCTUVSEKKJ-IAGOWNOFSA-N 1 3 312.498 2.144 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCNC[C@H](O)CC1(CO)CCCC1 ZINC001338447661 1142856615 /nfs/dbraw/zinc/85/66/15/1142856615.db2.gz OBWZUCTUVSEKKJ-IAGOWNOFSA-N 1 3 312.498 2.144 20 0 DEADHO C[C@@H]1CCCCN1CCC[NH2+]C[C@H](O)CC1(CO)CCCC1 ZINC001338447661 1142856616 /nfs/dbraw/zinc/85/66/16/1142856616.db2.gz OBWZUCTUVSEKKJ-IAGOWNOFSA-N 1 3 312.498 2.144 20 0 DEADHO Cc1ccc2[nH]cc(CCNC[C@H](O)C[NH2+]C(C)(C)C)c2c1 ZINC001253405872 1142869518 /nfs/dbraw/zinc/86/95/18/1142869518.db2.gz TYPXGBIXXMCFJC-HNNXBMFYSA-N 1 3 303.450 2.357 20 0 DEADHO Cc1cccc2c(CCNC[C@H](O)C[NH2+]C(C)(C)C)c[nH]c21 ZINC001253403763 1142869527 /nfs/dbraw/zinc/86/95/27/1142869527.db2.gz IYAKRHSLUBZZOL-HNNXBMFYSA-N 1 3 303.450 2.357 20 0 DEADHO CC(C)(C)[NH2+]C[C@@H](O)CN[C@H]1CCc2[nH]c3ccccc3c2C1 ZINC001253406956 1142869829 /nfs/dbraw/zinc/86/98/29/1142869829.db2.gz ZJEBARMAYAIMAU-KBPBESRZSA-N 1 3 315.461 2.364 20 0 DEADHO CC(C)(C)NC[C@@H](O)C[NH2+][C@H]1CCc2[nH]c3ccccc3c2C1 ZINC001253406956 1142869830 /nfs/dbraw/zinc/86/98/30/1142869830.db2.gz ZJEBARMAYAIMAU-KBPBESRZSA-N 1 3 315.461 2.364 20 0 DEADHO CC(C)(C)[NH2+]C[C@@H](O)CNCCC(C(F)(F)F)C(F)(F)F ZINC001253412663 1142870277 /nfs/dbraw/zinc/87/02/77/1142870277.db2.gz OFNNQRUAGNIFEV-QMMMGPOBSA-N 1 3 324.309 2.456 20 0 DEADHO CC(C)(C)NC[C@@H](O)C[NH2+]CCC(C(F)(F)F)C(F)(F)F ZINC001253412663 1142870279 /nfs/dbraw/zinc/87/02/79/1142870279.db2.gz OFNNQRUAGNIFEV-QMMMGPOBSA-N 1 3 324.309 2.456 20 0 DEADHO CCc1ccc(-c2cn(CCCC[NH2+]CCCN)nn2)cc1 ZINC001254163546 1143051506 /nfs/dbraw/zinc/05/15/06/1143051506.db2.gz RGBJJHZTADEHOI-UHFFFAOYSA-N 1 3 301.438 2.226 20 0 DEADHO CCOC(=O)CC1([NH3+])CCN(C2CCC(F)(F)CC2)CC1 ZINC001254216138 1143058286 /nfs/dbraw/zinc/05/82/86/1143058286.db2.gz CBAVPLGQBGKBBU-UHFFFAOYSA-N 1 3 304.381 2.311 20 0 DEADHO CN1CCC[C@@H]([N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001254520207 1143179018 /nfs/dbraw/zinc/17/90/18/1143179018.db2.gz MZJMJPBSFOXDOK-OAHLLOKOSA-N 1 3 311.470 2.414 20 0 DEADHO CN1CCC[C@@H]([N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001254520207 1143179027 /nfs/dbraw/zinc/17/90/27/1143179027.db2.gz MZJMJPBSFOXDOK-OAHLLOKOSA-N 1 3 311.470 2.414 20 0 DEADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC[C@@H]1CCCN1C)C2 ZINC001255183095 1143474955 /nfs/dbraw/zinc/47/49/55/1143474955.db2.gz JMHVMYFVLKNHOO-JONQDZQNSA-N 1 3 309.454 2.212 20 0 DEADHO CC1(C)C[C@@H]([NH2+]C2CCN(CC3CCOCC3)CC2)CCO1 ZINC001255533281 1143730983 /nfs/dbraw/zinc/73/09/83/1143730983.db2.gz YVWVHYDWDJOIGZ-KRWDZBQOSA-N 1 3 310.482 2.425 20 0 DEADHO Cc1cncnc1O[C@@H]1CCN(C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001255684386 1143802141 /nfs/dbraw/zinc/80/21/41/1143802141.db2.gz ZAOIQEMJYSGWGP-FCLJQHQZSA-N 1 3 316.449 2.253 20 0 DEADHO Cc1cncnc1O[C@@H]1CCN(C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001255684386 1143802143 /nfs/dbraw/zinc/80/21/43/1143802143.db2.gz ZAOIQEMJYSGWGP-FCLJQHQZSA-N 1 3 316.449 2.253 20 0 DEADHO CC[NH+](CC)CC[C@@H](C)N[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001255950729 1143816113 /nfs/dbraw/zinc/81/61/13/1143816113.db2.gz KKYAGTHGKUVUCD-CHWSQXEVSA-N 1 3 323.403 2.250 20 0 DEADHO CCOC(=O)N1CC[C@H](NC2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001256017980 1143821701 /nfs/dbraw/zinc/82/17/01/1143821701.db2.gz JASZMQDGAQTXTL-ZDUSSCGKSA-N 1 3 311.470 2.458 20 0 DEADHO O[C@@H](C[NH2+]C1CCC(N2CCOCC2)CC1)c1ccc(F)cc1 ZINC001256675619 1143861038 /nfs/dbraw/zinc/86/10/38/1143861038.db2.gz FQMPWLGLHKICDO-ABHNRTSZSA-N 1 3 322.424 2.092 20 0 DEADHO OCC[C@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1ccccc1 ZINC001256677792 1143861290 /nfs/dbraw/zinc/86/12/90/1143861290.db2.gz PERHETQPIRJEQB-ACBHZAAOSA-N 1 3 318.461 2.343 20 0 DEADHO OC1CCC(CC[NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256684947 1143862171 /nfs/dbraw/zinc/86/21/71/1143862171.db2.gz WJGWBEYSHQNUHE-UHFFFAOYSA-N 1 3 310.482 2.161 20 0 DEADHO O=C(C1CCC1)N1CC[C@H](N[C@@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256906876 1143874485 /nfs/dbraw/zinc/87/44/85/1143874485.db2.gz FAHFBOCVSIVWGS-SJORKVTESA-N 1 3 319.493 2.384 20 0 DEADHO O=C(C1CCC1)N1CC[C@H](N[C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256906876 1143874486 /nfs/dbraw/zinc/87/44/86/1143874486.db2.gz FAHFBOCVSIVWGS-SJORKVTESA-N 1 3 319.493 2.384 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]C/C=C\Cl)C(C)(C)C)N(C)C ZINC001279002406 1143895021 /nfs/dbraw/zinc/89/50/21/1143895021.db2.gz NTXUCFADWNOTMP-MYSQMOAQSA-N 1 3 303.878 2.200 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C[NH2+]CC[C@@H](C)F)C(C)(C)C ZINC001279028061 1143937286 /nfs/dbraw/zinc/93/72/86/1143937286.db2.gz MMCINAAYBMGLFY-BXUZGUMPSA-N 1 3 312.433 2.129 20 0 DEADHO CN(C)C1(C)CN(C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258148006 1143978636 /nfs/dbraw/zinc/97/86/36/1143978636.db2.gz YGMMNKATMIDZMB-UHFFFAOYSA-N 1 3 301.478 2.329 20 0 DEADHO C[C@@H]1C[C@@H]([N@H+]2CCC(=O)N(CCN(C)C)CC2)CC(C)(C)C1 ZINC001258700369 1144034480 /nfs/dbraw/zinc/03/44/80/1144034480.db2.gz LSZISZCDRWXCSQ-HZPDHXFCSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@@H]1C[C@@H]([N@@H+]2CCC(=O)N(CCN(C)C)CC2)CC(C)(C)C1 ZINC001258700369 1144034484 /nfs/dbraw/zinc/03/44/84/1144034484.db2.gz LSZISZCDRWXCSQ-HZPDHXFCSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCCF)C1 ZINC001264404914 1144531175 /nfs/dbraw/zinc/53/11/75/1144531175.db2.gz QOZPFUAAFUBKKK-OWCLPIDISA-N 1 3 313.461 2.093 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC2([NH2+]CCCF)CCC2)c1 ZINC001280545140 1144844688 /nfs/dbraw/zinc/84/46/88/1144844688.db2.gz LKYXIHIAOSRSOA-UHFFFAOYSA-N 1 3 321.440 2.350 20 0 DEADHO CCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C[C@H]1C ZINC001281687495 1144908062 /nfs/dbraw/zinc/90/80/62/1144908062.db2.gz ZBMNYJRNEDFAFX-UKRRQHHQSA-N 1 3 306.454 2.420 20 0 DEADHO CCCCC[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C[C@H]1C ZINC001281687495 1144908065 /nfs/dbraw/zinc/90/80/65/1144908065.db2.gz ZBMNYJRNEDFAFX-UKRRQHHQSA-N 1 3 306.454 2.420 20 0 DEADHO CCc1c[nH]c2ncnc(N[C@@H](C)C[N@H+](C)CCCN(C)C)c12 ZINC001364232656 1145093789 /nfs/dbraw/zinc/09/37/89/1145093789.db2.gz VWZGSBNZELURKX-ZDUSSCGKSA-N 1 3 318.469 2.204 20 0 DEADHO CCc1c[nH]c2ncnc(N[C@@H](C)C[N@@H+](C)CCCN(C)C)c12 ZINC001364232656 1145093796 /nfs/dbraw/zinc/09/37/96/1145093796.db2.gz VWZGSBNZELURKX-ZDUSSCGKSA-N 1 3 318.469 2.204 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1(C[NH2+]CCC2CC2)CCCCC1 ZINC001282627542 1145101103 /nfs/dbraw/zinc/10/11/03/1145101103.db2.gz PXDCXNRLZLWAFQ-UHFFFAOYSA-N 1 3 318.465 2.469 20 0 DEADHO Cc1ccc(CN[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc1F ZINC001364623541 1145387611 /nfs/dbraw/zinc/38/76/11/1145387611.db2.gz UFKLMEDCWGJQTQ-KRWDZBQOSA-N 1 3 323.456 2.316 20 0 DEADHO C[C@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@H]1COC(C)(C)O1 ZINC001364698766 1145479946 /nfs/dbraw/zinc/47/99/46/1145479946.db2.gz QBGHQTRFKSSHHJ-XOYOTBSWSA-N 1 3 318.461 2.461 20 0 DEADHO C[C@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@H]1COC(C)(C)O1 ZINC001364698766 1145479953 /nfs/dbraw/zinc/47/99/53/1145479953.db2.gz QBGHQTRFKSSHHJ-XOYOTBSWSA-N 1 3 318.461 2.461 20 0 DEADHO CCCN(CC[NH+]1CCCCC1)C(=O)NC[C@@H]1CCCCN1C ZINC001364757868 1145543523 /nfs/dbraw/zinc/54/35/23/1145543523.db2.gz ITRQPZYJHOOBEB-KRWDZBQOSA-N 1 3 324.513 2.378 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+][C@H]2COC[C@H]2C2CC2)CC1 ZINC001364772707 1145554385 /nfs/dbraw/zinc/55/43/85/1145554385.db2.gz RUILKEMOZKJQPG-SAGYGOJTSA-N 1 3 308.466 2.035 20 0 DEADHO CN(C)C(=O)CC[NH+]1CCC(NC/C=C/c2ccccc2)CC1 ZINC001364859934 1145634891 /nfs/dbraw/zinc/63/48/91/1145634891.db2.gz CLMPTKSAIDHVFL-RMKNXTFCSA-N 1 3 315.461 2.232 20 0 DEADHO CC(C)(C)OC(=O)N[C@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001364926191 1145681191 /nfs/dbraw/zinc/68/11/91/1145681191.db2.gz UYUOMTZHUFVVSN-KBUPBQIOSA-N 1 3 309.454 2.259 20 0 DEADHO CC(C)(C)OC(=O)N[C@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC001364926191 1145681201 /nfs/dbraw/zinc/68/12/01/1145681201.db2.gz UYUOMTZHUFVVSN-KBUPBQIOSA-N 1 3 309.454 2.259 20 0 DEADHO CCO[C@H](CNCC1(c2ccc3c(c2)OCO3)CC1)C[NH+](C)C ZINC001364994614 1145741527 /nfs/dbraw/zinc/74/15/27/1145741527.db2.gz BADXOZFJRPXOMR-OAHLLOKOSA-N 1 3 320.433 2.003 20 0 DEADHO CC(C)(C)[C@H](C[NH2+]CCF)NC(=O)C(C)(C)N1CCCCC1 ZINC001284590966 1145875836 /nfs/dbraw/zinc/87/58/36/1145875836.db2.gz RBQXYCBVGWKIRS-AWEZNQCLSA-N 1 3 315.477 2.341 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(CF)cc2)C1)N(C)C ZINC001366163308 1147086608 /nfs/dbraw/zinc/08/66/08/1147086608.db2.gz RGISXRWXDJFKRW-IXDOHACOSA-N 1 3 321.440 2.233 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CC1)N(C)C ZINC001492159220 1147105506 /nfs/dbraw/zinc/10/55/06/1147105506.db2.gz VXGNVDDPONTNTI-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC[C@@H]1CCC[N@H+]1CC1CC1)N(C)C ZINC001492159220 1147105511 /nfs/dbraw/zinc/10/55/11/1147105511.db2.gz VXGNVDDPONTNTI-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C)C[NH2+]C1CCC(NC(=O)Cc2nc[nH]c2C)CC1 ZINC001366250772 1147163709 /nfs/dbraw/zinc/16/37/09/1147163709.db2.gz ZMIYIJHHAVCKNA-GRTSSRMGSA-N 1 3 306.454 2.324 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CCC(F)(F)F ZINC001366279797 1147190024 /nfs/dbraw/zinc/19/00/24/1147190024.db2.gz WCMWSFJFVVFPNR-GFCCVEGCSA-N 1 3 323.403 2.298 20 0 DEADHO Cc1ccc(C[N@@H+](C)CCNC(=O)CN(C)C2CCC2)cc1C ZINC001492279261 1147198239 /nfs/dbraw/zinc/19/82/39/1147198239.db2.gz AYZGPDVRWCCXKS-UHFFFAOYSA-N 1 3 317.477 2.336 20 0 DEADHO Cc1ccc(C[N@H+](C)CCNC(=O)CN(C)C2CCC2)cc1C ZINC001492279261 1147198242 /nfs/dbraw/zinc/19/82/42/1147198242.db2.gz AYZGPDVRWCCXKS-UHFFFAOYSA-N 1 3 317.477 2.336 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2cccc(C)c2)C1 ZINC001366414607 1147258562 /nfs/dbraw/zinc/25/85/62/1147258562.db2.gz YYGNVFPBLHRREB-GOSISDBHSA-N 1 3 317.477 2.275 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@H](C)c1cccc(C)c1)N(C)C ZINC001366775270 1147553459 /nfs/dbraw/zinc/55/34/59/1147553459.db2.gz IWDDCFLQVTVFEO-WBVHZDCISA-N 1 3 305.466 2.444 20 0 DEADHO CC[C@@H](C)C[NH2+][C@@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001366782312 1147557478 /nfs/dbraw/zinc/55/74/78/1147557478.db2.gz LKOURPXUYKPPHP-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccccc1C ZINC001367146833 1147656615 /nfs/dbraw/zinc/65/66/15/1147656615.db2.gz AZPWPANCAOWOCR-KRWDZBQOSA-N 1 3 305.466 2.320 20 0 DEADHO CC(C)CCC[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001317159772 1147668292 /nfs/dbraw/zinc/66/82/92/1147668292.db2.gz MJEKHKUEFMRNBN-HNNXBMFYSA-N 1 3 306.454 2.217 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001317243386 1147681911 /nfs/dbraw/zinc/68/19/11/1147681911.db2.gz XCHFKLXIXPAROL-WBVHZDCISA-N 1 3 307.482 2.454 20 0 DEADHO C[C@H](CNCc1ccccc1F)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367399007 1147689255 /nfs/dbraw/zinc/68/92/55/1147689255.db2.gz QQWKMIYRVIKAFL-CABCVRRESA-N 1 3 321.440 2.104 20 0 DEADHO C[C@H](CNCc1ccccc1F)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001367399007 1147689256 /nfs/dbraw/zinc/68/92/56/1147689256.db2.gz QQWKMIYRVIKAFL-CABCVRRESA-N 1 3 321.440 2.104 20 0 DEADHO CC[C@@H](C)C[NH2+]CCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001317626282 1147734745 /nfs/dbraw/zinc/73/47/45/1147734745.db2.gz OWEDHTOLPDPHSV-RHSMWYFYSA-N 1 3 315.477 2.293 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[NH2+]Cc1cc(C)sc1C ZINC001317658156 1147739787 /nfs/dbraw/zinc/73/97/87/1147739787.db2.gz IQJBYUVFHFXVOQ-UHFFFAOYSA-N 1 3 311.495 2.255 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(F)cc1 ZINC001317665696 1147740932 /nfs/dbraw/zinc/74/09/32/1147740932.db2.gz SNNBCTFYQXDUJB-QGZVFWFLSA-N 1 3 321.440 2.248 20 0 DEADHO Cc1ccccc1C[N@@H+](C)C[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001367827490 1147754344 /nfs/dbraw/zinc/75/43/44/1147754344.db2.gz ADUQCONGEKPMIB-RDJZCZTQSA-N 1 3 317.477 2.273 20 0 DEADHO Cc1ccccc1C[N@H+](C)C[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001367827490 1147754346 /nfs/dbraw/zinc/75/43/46/1147754346.db2.gz ADUQCONGEKPMIB-RDJZCZTQSA-N 1 3 317.477 2.273 20 0 DEADHO Cc1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001367861528 1147763118 /nfs/dbraw/zinc/76/31/18/1147763118.db2.gz MFYYUYWQWVVDRR-MRXNPFEDSA-N 1 3 305.466 2.272 20 0 DEADHO Cc1ccccc1C[N@H+](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001367861528 1147763120 /nfs/dbraw/zinc/76/31/20/1147763120.db2.gz MFYYUYWQWVVDRR-MRXNPFEDSA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]CC2CCC(C)CC2)CC1)N(C)C ZINC001368011952 1147827502 /nfs/dbraw/zinc/82/75/02/1147827502.db2.gz GSGYGRHRKYEKQC-UYSNPLJNSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCC1(C)CC[NH+](C(C)C)CC1 ZINC001368202202 1148322235 /nfs/dbraw/zinc/32/22/35/1148322235.db2.gz RAJAFXJKRHBVIF-MRXNPFEDSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@]1(C)CCC[N@H+](CC2CC2)C1)N(C)C ZINC001368214677 1148331624 /nfs/dbraw/zinc/33/16/24/1148331624.db2.gz AHWLRMUYORTOHI-WMZOPIPTSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@]1(C)CCC[N@@H+](CC2CC2)C1)N(C)C ZINC001368214677 1148331630 /nfs/dbraw/zinc/33/16/30/1148331630.db2.gz AHWLRMUYORTOHI-WMZOPIPTSA-N 1 3 309.498 2.201 20 0 DEADHO CCN1CCCN(C(=O)NCCCCCC2CC[NH2+]CC2)CC1 ZINC001353466320 1151832154 /nfs/dbraw/zinc/83/21/54/1151832154.db2.gz FRTXNLCFDGTQAL-UHFFFAOYSA-N 1 3 324.513 2.284 20 0 DEADHO C[NH+](C)CC[C@@H](NC(=O)N1CC[C@H](N2CCCC2)C1)C(C)(C)C ZINC000116567260 282113343 /nfs/dbraw/zinc/11/33/43/282113343.db2.gz BEWTWWCNIIYSOT-JKSUJKDBSA-N 1 3 324.513 2.233 20 0 DEADHO OC1CCN(Cc2ccc(C[NH2+]C[C@@H]3CCSC3)cc2)CC1 ZINC000278508247 214199265 /nfs/dbraw/zinc/19/92/65/214199265.db2.gz OMKYICZQWPMWQY-KRWDZBQOSA-N 1 3 320.502 2.486 20 0 DEADHO CC[C@@H](C)[NH2+][C@@H](CNC(=O)N1CCNC(C)(C)C1)c1ccco1 ZINC000418166774 529375567 /nfs/dbraw/zinc/37/55/67/529375567.db2.gz LTKFNWILPYIYQT-KGLIPLIRSA-N 1 3 322.453 2.102 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)[C@H]2[NH2+]CCCC2(C)C)cc1 ZINC000423722550 282147785 /nfs/dbraw/zinc/14/77/85/282147785.db2.gz GJDACACSWGLSKJ-MRXNPFEDSA-N 1 3 303.450 2.143 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000127959080 282146852 /nfs/dbraw/zinc/14/68/52/282146852.db2.gz GJQOYVVARAQZIR-QGZVFWFLSA-N 1 3 315.461 2.306 20 0 DEADHO CC[C@H]([NH2+]C[C@H](CC(C)C)N1CCOCC1)[C@@H]1CCCCN1 ZINC000422801370 529618532 /nfs/dbraw/zinc/61/85/32/529618532.db2.gz FIAFKRDXKAGGQU-BZSNNMDCSA-N 1 3 311.514 2.244 20 0 DEADHO CC[C@H](NCc1ccncc1OCCN(C)C)[C@@H]1CCCC[NH2+]1 ZINC000423121469 529633324 /nfs/dbraw/zinc/63/33/24/529633324.db2.gz IJWMHOFQEXALFU-IRXDYDNUSA-N 1 3 320.481 2.032 20 0 DEADHO CN(C)[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422750237 282248887 /nfs/dbraw/zinc/24/88/87/282248887.db2.gz CMHDIHABXVSYDA-NCXUSEDFSA-N 1 3 317.477 2.036 20 0 DEADHO CNC(=O)CCN(C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411218877 529856926 /nfs/dbraw/zinc/85/69/26/529856926.db2.gz OYNKCKXMOWZALQ-UHFFFAOYSA-N 1 3 303.450 2.240 20 0 DEADHO CN(CCCN(C)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)Cc1ccco1 ZINC000418593041 529885446 /nfs/dbraw/zinc/88/54/46/529885446.db2.gz VMGLNWZOVXTPIS-HUUCEWRRSA-N 1 3 322.453 2.013 20 0 DEADHO CN1CCC(Oc2ccc(CN[C@@H]3CCC[C@H]3[NH3+])cc2)CC1 ZINC000423105443 530050942 /nfs/dbraw/zinc/05/09/42/530050942.db2.gz NIFQUWCXZTYVEY-QZTJIDSGSA-N 1 3 303.450 2.129 20 0 DEADHO CN1CCC[C@@H](CNC(=O)NCC(C)(C)[NH3+])[C@@H]1c1cccs1 ZINC000417741632 530054960 /nfs/dbraw/zinc/05/49/60/530054960.db2.gz UYKDUVVVSXPMCH-GXTWGEPZSA-N 1 3 324.494 2.168 20 0 DEADHO C[N@@H+]1CCC[C@@]2(CCN(C[C@H](O)Cc3ccc(F)cc3)C2)C1 ZINC000292903269 530059506 /nfs/dbraw/zinc/05/95/06/530059506.db2.gz GTFWNMWJPXEZJD-QZTJIDSGSA-N 1 3 306.425 2.147 20 0 DEADHO C[N@H+]1CCC[C@@]2(CCN(C[C@H](O)Cc3ccc(F)cc3)C2)C1 ZINC000292903269 530059507 /nfs/dbraw/zinc/05/95/07/530059507.db2.gz GTFWNMWJPXEZJD-QZTJIDSGSA-N 1 3 306.425 2.147 20 0 DEADHO CCOC[C@H]1CC[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000093838695 539432109 /nfs/dbraw/zinc/43/21/09/539432109.db2.gz XNUIDFBECUIPEA-KRWDZBQOSA-N 1 3 306.450 2.485 20 0 DEADHO CCOC[C@H]1CC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000093838695 539432111 /nfs/dbraw/zinc/43/21/11/539432111.db2.gz XNUIDFBECUIPEA-KRWDZBQOSA-N 1 3 306.450 2.485 20 0 DEADHO C[C@H](O)CCN(C)Cc1ccc(C[N@H+](C)CC[C@H](C)O)cc1 ZINC000245451155 282389285 /nfs/dbraw/zinc/38/92/85/282389285.db2.gz PFKJJKFWEOKCRN-HOTGVXAUSA-N 1 3 308.466 2.092 20 0 DEADHO C[C@H](O)CCN(C)Cc1ccc(C[N@@H+](C)CC[C@H](C)O)cc1 ZINC000245451155 282389290 /nfs/dbraw/zinc/38/92/90/282389290.db2.gz PFKJJKFWEOKCRN-HOTGVXAUSA-N 1 3 308.466 2.092 20 0 DEADHO CCC[NH+]1CCC(N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000126764011 539478167 /nfs/dbraw/zinc/47/81/67/539478167.db2.gz YKERQNHSQQMJRI-KRWDZBQOSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1)N1CCCCCC1 ZINC000615617542 362660510 /nfs/dbraw/zinc/66/05/10/362660510.db2.gz ZUVOKJLBYVFKRE-WMZOPIPTSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@@H](C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1)N1CCCCCC1 ZINC000615617542 362660514 /nfs/dbraw/zinc/66/05/14/362660514.db2.gz ZUVOKJLBYVFKRE-WMZOPIPTSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@H](N[C@H]1CCN(c2ccccc2)C1=O)C1CC[NH+](C)CC1 ZINC000129097861 539488483 /nfs/dbraw/zinc/48/84/83/539488483.db2.gz BLLRBYKUAVSHLC-YOEHRIQHSA-N 1 3 301.434 2.112 20 0 DEADHO Cc1n[nH]cc1[C@H](C)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182272734 539655991 /nfs/dbraw/zinc/65/59/91/539655991.db2.gz YOHRBYMYBQJBFE-GUYCJALGSA-N 1 3 314.433 2.136 20 0 DEADHO Cc1n[nH]cc1[C@H](C)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182272734 539655994 /nfs/dbraw/zinc/65/59/94/539655994.db2.gz YOHRBYMYBQJBFE-GUYCJALGSA-N 1 3 314.433 2.136 20 0 DEADHO CC[C@H](CNC(=O)CC1([NH3+])CCC1)N1CCc2ccccc2C1 ZINC000236951826 539741556 /nfs/dbraw/zinc/74/15/56/539741556.db2.gz JNXDRFUVKBHPBC-QGZVFWFLSA-N 1 3 315.461 2.211 20 0 DEADHO CN1CCC(C[NH2+]C2CCCCCC2)(N2CCOCC2)CC1 ZINC000414199769 282695130 /nfs/dbraw/zinc/69/51/30/282695130.db2.gz RHKQIBJHRFWGKJ-UHFFFAOYSA-N 1 3 309.498 2.095 20 0 DEADHO CC(C)NC(=O)CC[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000177864901 186195058 /nfs/dbraw/zinc/19/50/58/186195058.db2.gz RJLLVRZHLAWUII-OAHLLOKOSA-N 1 3 321.465 2.192 20 0 DEADHO CC(C)NC(=O)CCN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000177864901 186195060 /nfs/dbraw/zinc/19/50/60/186195060.db2.gz RJLLVRZHLAWUII-OAHLLOKOSA-N 1 3 321.465 2.192 20 0 DEADHO CN(C)[C@@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2F)CC1 ZINC000277193639 213357951 /nfs/dbraw/zinc/35/79/51/213357951.db2.gz MABVAIJLJFPEBP-IAGOWNOFSA-N 1 3 324.440 2.119 20 0 DEADHO CN(C)[C@@H]1CCC[N@@H+](C[C@@H](O)COCc2ccccc2F)CC1 ZINC000277193639 213357955 /nfs/dbraw/zinc/35/79/55/213357955.db2.gz MABVAIJLJFPEBP-IAGOWNOFSA-N 1 3 324.440 2.119 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000617348077 363102677 /nfs/dbraw/zinc/10/26/77/363102677.db2.gz ZJRYYBFKJVHVRN-GOEBONIOSA-N 1 3 307.482 2.382 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000617348077 363102681 /nfs/dbraw/zinc/10/26/81/363102681.db2.gz ZJRYYBFKJVHVRN-GOEBONIOSA-N 1 3 307.482 2.382 20 0 DEADHO C[C@]1(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CCC[NH2+]1 ZINC000309755768 539879008 /nfs/dbraw/zinc/87/90/08/539879008.db2.gz WZJJYDHLQQEHKH-PKOBYXMFSA-N 1 3 315.461 2.157 20 0 DEADHO C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H](N)c1ccccc1 ZINC000322615566 539902837 /nfs/dbraw/zinc/90/28/37/539902837.db2.gz PXPMPZJNJGSOFB-NKBFTAMNSA-N 1 3 301.434 2.064 20 0 DEADHO C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](N)c1ccccc1 ZINC000322615566 539902839 /nfs/dbraw/zinc/90/28/39/539902839.db2.gz PXPMPZJNJGSOFB-NKBFTAMNSA-N 1 3 301.434 2.064 20 0 DEADHO [NH3+]C[C@@H](NC(=O)N1CCN(C2CCCCC2)CC1)C1CCCC1 ZINC000333804586 539972240 /nfs/dbraw/zinc/97/22/40/539972240.db2.gz IJPJFQKCFIUKCJ-QGZVFWFLSA-N 1 3 322.497 2.164 20 0 DEADHO [NH3+]C[C@@H]1CCN(C(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000333858994 539974228 /nfs/dbraw/zinc/97/42/28/539974228.db2.gz YYHVJJHTLJRKQM-INIZCTEOSA-N 1 3 322.497 2.023 20 0 DEADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C1(C)C ZINC000182090931 199385051 /nfs/dbraw/zinc/38/50/51/199385051.db2.gz CTDLCKUIKMKYFK-JKSUJKDBSA-N 1 3 321.465 2.315 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NCCN1CCC[C@@H](C)C1 ZINC000357609662 535242220 /nfs/dbraw/zinc/24/22/20/535242220.db2.gz QSGGJEGAQFKUBC-CVEARBPZSA-N 1 3 312.502 2.138 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NCCN1CCC[C@@H](C)C1 ZINC000357609662 535242223 /nfs/dbraw/zinc/24/22/23/535242223.db2.gz QSGGJEGAQFKUBC-CVEARBPZSA-N 1 3 312.502 2.138 20 0 DEADHO CCCN(C(=O)NCC(C)(C)N1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000416820682 283001627 /nfs/dbraw/zinc/00/16/27/283001627.db2.gz CRPFFSTZQAVWQA-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO CC(C)[C@H](N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236788536 202009650 /nfs/dbraw/zinc/00/96/50/202009650.db2.gz XEXFLJUCCMSKAD-XIRDDKMYSA-N 1 3 303.450 2.139 20 0 DEADHO CC(C)[C@H](N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236788536 202009653 /nfs/dbraw/zinc/00/96/53/202009653.db2.gz XEXFLJUCCMSKAD-XIRDDKMYSA-N 1 3 303.450 2.139 20 0 DEADHO CCN(CC)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000051589560 354387754 /nfs/dbraw/zinc/38/77/54/354387754.db2.gz IIIZRAAUUWKXSO-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO CC[NH+](CC)CCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000063445068 354645977 /nfs/dbraw/zinc/64/59/77/354645977.db2.gz CKKPRHCBQHEQFI-UHFFFAOYSA-N 1 3 303.450 2.354 20 0 DEADHO CC[NH+](CC)CCSCC(=O)N[C@@H](C)CN1CCCCC1 ZINC000072907029 354929649 /nfs/dbraw/zinc/92/96/49/354929649.db2.gz OKQLWPYMEDZOAL-HNNXBMFYSA-N 1 3 315.527 2.052 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000074327781 355023599 /nfs/dbraw/zinc/02/35/99/355023599.db2.gz MJVAOOOYHKYDTB-SJORKVTESA-N 1 3 307.482 2.051 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000074327781 355023601 /nfs/dbraw/zinc/02/36/01/355023601.db2.gz MJVAOOOYHKYDTB-SJORKVTESA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCN(C2CCCC2)CC1 ZINC000360801045 283083298 /nfs/dbraw/zinc/08/32/98/283083298.db2.gz PPDFDEBOTYTBMN-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCN(C2CCCC2)CC1 ZINC000360801045 283083302 /nfs/dbraw/zinc/08/33/02/283083302.db2.gz PPDFDEBOTYTBMN-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CC(C)(C)[NH3+] ZINC000382686966 540123579 /nfs/dbraw/zinc/12/35/79/540123579.db2.gz FVNBWVKAOOLBCD-OAHLLOKOSA-N 1 3 303.450 2.237 20 0 DEADHO C[NH2+]CCN(C)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000417686511 540167557 /nfs/dbraw/zinc/16/75/57/540167557.db2.gz GSVLEWMPVYGNJS-OAHLLOKOSA-N 1 3 318.465 2.073 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000452567999 540193761 /nfs/dbraw/zinc/19/37/61/540193761.db2.gz ATTUARMXFQAMRC-JKSUJKDBSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000452567999 540193763 /nfs/dbraw/zinc/19/37/63/540193763.db2.gz ATTUARMXFQAMRC-JKSUJKDBSA-N 1 3 307.482 2.194 20 0 DEADHO Cc1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)ccc1F ZINC000120096965 355789500 /nfs/dbraw/zinc/78/95/00/355789500.db2.gz HWXINCJNVASSOM-UHFFFAOYSA-N 1 3 310.417 2.091 20 0 DEADHO CC[C@@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000130308785 355840652 /nfs/dbraw/zinc/84/06/52/355840652.db2.gz SDKAZCPNBDKHKJ-RHSMWYFYSA-N 1 3 303.450 2.272 20 0 DEADHO CC[C@@H](N)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000130308785 355840653 /nfs/dbraw/zinc/84/06/53/355840653.db2.gz SDKAZCPNBDKHKJ-RHSMWYFYSA-N 1 3 303.450 2.272 20 0 DEADHO N[C@@H](Cc1ccccc1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000143833533 355901273 /nfs/dbraw/zinc/90/12/73/355901273.db2.gz IZVCDAFLTARRDX-SFHVURJKSA-N 1 3 315.461 2.033 20 0 DEADHO C[C@H](CCNC(=O)NCCN1CCC[C@H](C)C1)[NH+]1CCCCC1 ZINC000184834469 356197523 /nfs/dbraw/zinc/19/75/23/356197523.db2.gz GIUMHNFNKVCGDE-DLBZAZTESA-N 1 3 324.513 2.282 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N1CCC[C@H](N(C)C)C1)C(C)C ZINC000080729773 192185405 /nfs/dbraw/zinc/18/54/05/192185405.db2.gz RBPNCUITKLWOOW-INIZCTEOSA-N 1 3 312.502 2.231 20 0 DEADHO CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000236722677 356291392 /nfs/dbraw/zinc/29/13/92/356291392.db2.gz YTCKPTXIJMEGQC-KGLIPLIRSA-N 1 3 309.479 2.375 20 0 DEADHO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]3CCCCN3)cc21 ZINC000237000375 356293359 /nfs/dbraw/zinc/29/33/59/356293359.db2.gz GPIUGSYYROCQPS-INIZCTEOSA-N 1 3 314.433 2.284 20 0 DEADHO [NH3+][C@H](CCC(=O)N1CC[C@@H](N2CCCC2)C1)c1ccccc1 ZINC000237910159 356301036 /nfs/dbraw/zinc/30/10/36/356301036.db2.gz MKQSDDGRXIUPQX-IAGOWNOFSA-N 1 3 301.434 2.163 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)CC1CC[NH2+]CC1 ZINC000315118384 356422607 /nfs/dbraw/zinc/42/26/07/356422607.db2.gz RQKZKWIGWTZKLT-UHFFFAOYSA-N 1 3 305.422 2.085 20 0 DEADHO Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000320940085 356447953 /nfs/dbraw/zinc/44/79/53/356447953.db2.gz GXFCVMQLCLFWKC-FUHWJXTLSA-N 1 3 318.461 2.117 20 0 DEADHO Cc1cc(C)cc(OC[C@H](O)CNC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000320940085 356447954 /nfs/dbraw/zinc/44/79/54/356447954.db2.gz GXFCVMQLCLFWKC-FUHWJXTLSA-N 1 3 318.461 2.117 20 0 DEADHO Cc1cc(C)cc(OC[C@H](O)CNC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000320940085 356447955 /nfs/dbraw/zinc/44/79/55/356447955.db2.gz GXFCVMQLCLFWKC-FUHWJXTLSA-N 1 3 318.461 2.117 20 0 DEADHO CCC[N@H+](CC)CCNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000489279459 283168014 /nfs/dbraw/zinc/16/80/14/283168014.db2.gz PIGJXCPHJSSVCQ-YESZJQIVSA-N 1 3 324.513 2.090 20 0 DEADHO CCC[N@@H+](CC)CCNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000489279459 283168015 /nfs/dbraw/zinc/16/80/15/283168015.db2.gz PIGJXCPHJSSVCQ-YESZJQIVSA-N 1 3 324.513 2.090 20 0 DEADHO CCC[C@H]([NH3+])C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000236845246 202035353 /nfs/dbraw/zinc/03/53/53/202035353.db2.gz HRLXXRMCWXWGLS-INIZCTEOSA-N 1 3 303.450 2.067 20 0 DEADHO CCN1CCN(CCC[NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000236943298 202084066 /nfs/dbraw/zinc/08/40/66/202084066.db2.gz SEUUGHAFLYXUTK-UHFFFAOYSA-N 1 3 300.450 2.285 20 0 DEADHO CCC[C@@H]([NH3+])C(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000236954271 202091372 /nfs/dbraw/zinc/09/13/72/202091372.db2.gz XMJCDPCZIFHJIP-IAGOWNOFSA-N 1 3 319.449 2.076 20 0 DEADHO C[C@H](C(=O)N1CCC[C@@H]([NH+](C)C)CC1)[C@@H](N)c1ccccc1 ZINC000423785682 283202386 /nfs/dbraw/zinc/20/23/86/283202386.db2.gz UISWZPVEEJMNFK-USXIJHARSA-N 1 3 303.450 2.265 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC(C[NH3+])CC1 ZINC000237046097 202133847 /nfs/dbraw/zinc/13/38/47/202133847.db2.gz UWFDMNUIMUDFJO-UHFFFAOYSA-N 1 3 315.417 2.305 20 0 DEADHO COCC(COC)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000384912128 356685822 /nfs/dbraw/zinc/68/58/22/356685822.db2.gz CDHNKMCXZIOAGW-QXAKKESOSA-N 1 3 318.461 2.148 20 0 DEADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000578052800 356753658 /nfs/dbraw/zinc/75/36/58/356753658.db2.gz FIBVTQKEZZLJTH-HOTGVXAUSA-N 1 3 322.497 2.081 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)CC2CC[NH2+]CC2)N(C)C)cc1 ZINC000237189163 202182785 /nfs/dbraw/zinc/18/27/85/202182785.db2.gz XOSOTWXBLCQCRI-QGZVFWFLSA-N 1 3 303.450 2.104 20 0 DEADHO COc1ccc(CN2CCC(C[NH2+]CC3(O)CCC3)CC2)cc1 ZINC000578618643 356845446 /nfs/dbraw/zinc/84/54/46/356845446.db2.gz KSHKBORTDHVNBO-UHFFFAOYSA-N 1 3 318.461 2.412 20 0 DEADHO C[C@H](CN1CCN(c2ccccc2)CC1)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000578668609 356854578 /nfs/dbraw/zinc/85/45/78/356854578.db2.gz JIFWVDWDBWMPAS-FGTMMUONSA-N 1 3 316.493 2.057 20 0 DEADHO C[NH2+]CCCC(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000237225478 202195833 /nfs/dbraw/zinc/19/58/33/202195833.db2.gz WKIYOBVNXIZNOB-UHFFFAOYSA-N 1 3 313.829 2.219 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000579350856 356961677 /nfs/dbraw/zinc/96/16/77/356961677.db2.gz WANMOQYYWGPDAU-ZMSDIMECSA-N 1 3 318.465 2.076 20 0 DEADHO CN(C(=O)C1CC[NH2+]CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000237268834 202210881 /nfs/dbraw/zinc/21/08/81/202210881.db2.gz RBWHJRNPAKZIJS-GOSISDBHSA-N 1 3 315.461 2.109 20 0 DEADHO CC[C@@H](C)N[C@H](CNC(=O)NCC1CC[NH2+]CC1)c1ccco1 ZINC000581715948 357235443 /nfs/dbraw/zinc/23/54/43/357235443.db2.gz NEDCLXPWJAMAPG-UKRRQHHQSA-N 1 3 322.453 2.008 20 0 DEADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCC(=O)NCc2ccccc2Cl)C1 ZINC000430543375 283255048 /nfs/dbraw/zinc/25/50/48/283255048.db2.gz MPDWENHTPQCILZ-UKRRQHHQSA-N 1 3 323.868 2.406 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCCN(CCC(=O)NCc2ccccc2Cl)C1 ZINC000430543368 283255098 /nfs/dbraw/zinc/25/50/98/283255098.db2.gz MPDWENHTPQCILZ-DZGCQCFKSA-N 1 3 323.868 2.406 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(Cc2ccc(C(N)=O)cc2)CC1 ZINC000590786619 357612303 /nfs/dbraw/zinc/61/23/03/357612303.db2.gz IPVCVZGHNFIPMW-UHFFFAOYSA-N 1 3 303.450 2.338 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(Cc2ccc(C(N)=O)cc2)CC1 ZINC000590786619 357612308 /nfs/dbraw/zinc/61/23/08/357612308.db2.gz IPVCVZGHNFIPMW-UHFFFAOYSA-N 1 3 303.450 2.338 20 0 DEADHO CN1CCC[N@H+](CCCNCC2=Cc3ccccc3OC2)CC1 ZINC000591719017 357753264 /nfs/dbraw/zinc/75/32/64/357753264.db2.gz UKEBEYGDGPXSDV-UHFFFAOYSA-N 1 3 315.461 2.080 20 0 DEADHO CN1CCC[N@@H+](CCCNCC2=Cc3ccccc3OC2)CC1 ZINC000591719017 357753268 /nfs/dbraw/zinc/75/32/68/357753268.db2.gz UKEBEYGDGPXSDV-UHFFFAOYSA-N 1 3 315.461 2.080 20 0 DEADHO COC(=O)c1coc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000592433624 357876078 /nfs/dbraw/zinc/87/60/78/357876078.db2.gz MLIQGDUYKLUWEB-ZIAGYGMSSA-N 1 3 306.406 2.278 20 0 DEADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000660838690 540312950 /nfs/dbraw/zinc/31/29/50/540312950.db2.gz KRPUZDCASOVHSW-OAGGEKHMSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000660838690 540312952 /nfs/dbraw/zinc/31/29/52/540312952.db2.gz KRPUZDCASOVHSW-OAGGEKHMSA-N 1 3 324.513 2.279 20 0 DEADHO Clc1cc(CN[C@H]2CC23CC[NH2+]CC3)cc2c1OCCO2 ZINC000666950900 540368948 /nfs/dbraw/zinc/36/89/48/540368948.db2.gz PSEBFKOALRAAJO-AWEZNQCLSA-N 1 3 308.809 2.343 20 0 DEADHO CCO[C@H](CC[NH+](C)C)CNCc1ccc(N(C)C(C)C)nc1 ZINC000276672575 213038681 /nfs/dbraw/zinc/03/86/81/213038681.db2.gz YZEDNROLYSXQGF-QGZVFWFLSA-N 1 3 322.497 2.373 20 0 DEADHO C[C@H]1C[C@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CCN1C ZINC000341202507 291136114 /nfs/dbraw/zinc/13/61/14/291136114.db2.gz MSHAQTOGHONOEE-JKSUJKDBSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H]1C[C@H](NC(=O)N2CCC[N@H+](C3CCCC3)CC2)CCN1C ZINC000341202507 291136116 /nfs/dbraw/zinc/13/61/16/291136116.db2.gz MSHAQTOGHONOEE-JKSUJKDBSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)(C)OC(=O)N1CC[C@H]2CN(C[C@@]3(C)CC[NH2+]C3)C[C@H]2C1 ZINC000496083181 283360704 /nfs/dbraw/zinc/36/07/04/283360704.db2.gz HBVNIVGKAFKVDR-MPGHIAIKSA-N 1 3 323.481 2.175 20 0 DEADHO COC(=O)C1CCC([NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC000596094341 358609690 /nfs/dbraw/zinc/60/96/90/358609690.db2.gz KWRRDRADQGXXPD-GTPINHCMSA-N 1 3 308.466 2.430 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000667336989 540439543 /nfs/dbraw/zinc/43/95/43/540439543.db2.gz VQEGERJNWZPGCV-UHFFFAOYSA-N 1 3 324.513 2.090 20 0 DEADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000667741430 540518371 /nfs/dbraw/zinc/51/83/71/540518371.db2.gz NMUZFDYBYRSDHP-INIZCTEOSA-N 1 3 316.449 2.328 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000428940994 237280333 /nfs/dbraw/zinc/28/03/33/237280333.db2.gz STPHDTKTVIOZGZ-OAHLLOKOSA-N 1 3 322.497 2.034 20 0 DEADHO CCCN(C)CC(=O)N1CCC(C)([NH2+]C[C@@H](F)CC)CC1 ZINC001422069667 1172273293 /nfs/dbraw/zinc/27/32/93/1172273293.db2.gz URNRYGAUPGQVIV-AWEZNQCLSA-N 1 3 301.450 2.047 20 0 DEADHO Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCC[C@@H](CC[NH3+])C1 ZINC000443061986 238102387 /nfs/dbraw/zinc/10/23/87/238102387.db2.gz SWUCLTVSBOGIHP-SJORKVTESA-N 1 3 317.477 2.403 20 0 DEADHO CCN(CC)[C@H](CNC(=O)NCC[NH2+]C1CC1)c1ccsc1 ZINC000669279573 540809583 /nfs/dbraw/zinc/80/95/83/540809583.db2.gz YDTAISWETLUKPD-OAHLLOKOSA-N 1 3 324.494 2.182 20 0 DEADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000669418932 540829447 /nfs/dbraw/zinc/82/94/47/540829447.db2.gz ILGGHANPMWQQJM-IRXDYDNUSA-N 1 3 318.465 2.039 20 0 DEADHO CC1(C)CCCN[C@@H]1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669519692 540850751 /nfs/dbraw/zinc/85/07/51/540850751.db2.gz OJBBIWMHOVTMNN-OWCLPIDISA-N 1 3 307.482 2.003 20 0 DEADHO CCc1ccc([C@H](CNC(=O)NC[C@@H](C)[NH3+])N(CC)CC)cc1 ZINC000669590895 540870915 /nfs/dbraw/zinc/87/09/15/540870915.db2.gz STUJULBIGMIGMD-PBHICJAKSA-N 1 3 320.481 2.278 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc2occc2s1 ZINC000605509733 360973969 /nfs/dbraw/zinc/97/39/69/360973969.db2.gz UPZAOQRJPPMOTG-UHFFFAOYSA-N 1 3 309.435 2.060 20 0 DEADHO C[NH+](C)C1CC(NC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000670401450 540930362 /nfs/dbraw/zinc/93/03/62/540930362.db2.gz HKCNQZXKZCQTIL-UHFFFAOYSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@H]([NH3+])CCC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000193305034 201026549 /nfs/dbraw/zinc/02/65/49/201026549.db2.gz NAZKQXMCVIAXEI-KBPBESRZSA-N 1 3 309.479 2.204 20 0 DEADHO C[C@H](NC(=O)N[C@@H]1CCCN(C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000672754210 541060446 /nfs/dbraw/zinc/06/04/46/541060446.db2.gz SOFFGCPQLYTCPJ-UAGQMJEPSA-N 1 3 318.465 2.071 20 0 DEADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)c1ccc2c(c1)CC(=O)N2C ZINC000271877509 209288686 /nfs/dbraw/zinc/28/86/86/209288686.db2.gz YBVPZZCKEFHKTJ-XJKSGUPXSA-N 1 3 301.434 2.340 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001369419566 1148961578 /nfs/dbraw/zinc/96/15/78/1148961578.db2.gz KLVKMDDTLFXDIW-CVEARBPZSA-N 1 3 311.514 2.495 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000448256241 239293680 /nfs/dbraw/zinc/29/36/80/239293680.db2.gz MDIBNEPOEIORCG-INIZCTEOSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000674878632 541268612 /nfs/dbraw/zinc/26/86/12/541268612.db2.gz MNUCCMVOMUUWSP-BHIYHBOVSA-N 1 3 301.478 2.438 20 0 DEADHO CC[C@@H](CN1CCCC1)NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000675197245 541300908 /nfs/dbraw/zinc/30/09/08/541300908.db2.gz MINKQACHXRQZMB-KRWDZBQOSA-N 1 3 324.513 2.234 20 0 DEADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000675197201 541301060 /nfs/dbraw/zinc/30/10/60/541301060.db2.gz LNFAKZQVZVBCJK-IAGOWNOFSA-N 1 3 322.497 2.131 20 0 DEADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(C2CCCC2)CC1 ZINC000675199289 541302343 /nfs/dbraw/zinc/30/23/43/541302343.db2.gz IJQUNRBSYCBVMR-MRXNPFEDSA-N 1 3 322.497 2.131 20 0 DEADHO C[C@H](C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000621105887 364256876 /nfs/dbraw/zinc/25/68/76/364256876.db2.gz ZXYWAYNBVHPADH-KYHPRHEASA-N 1 3 321.509 2.486 20 0 DEADHO C[C@H](C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000621105887 364256881 /nfs/dbraw/zinc/25/68/81/364256881.db2.gz ZXYWAYNBVHPADH-KYHPRHEASA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)CN(C(=O)CC[C@H]1CCC[NH2+]C1)C1CCN(C)CC1 ZINC000621659691 364493183 /nfs/dbraw/zinc/49/31/83/364493183.db2.gz PLLSITHLQPGVPB-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CCN1CC[C@H](C[NH2+][C@@H]2CCN(C(C)=O)c3ccccc32)C1 ZINC000621749827 364534740 /nfs/dbraw/zinc/53/47/40/364534740.db2.gz DDOMVLDHZXEDKV-NVXWUHKLSA-N 1 3 301.434 2.416 20 0 DEADHO O=c1ccccn1CCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000622500856 364758131 /nfs/dbraw/zinc/75/81/31/364758131.db2.gz DDQZFZYULRRXST-UHFFFAOYSA-N 1 3 317.477 2.436 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000623058581 364871002 /nfs/dbraw/zinc/87/10/02/364871002.db2.gz GHMOZHAZLNEQAT-GOEBONIOSA-N 1 3 304.438 2.387 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1 ZINC000623070661 364875579 /nfs/dbraw/zinc/87/55/79/364875579.db2.gz NQIPIBAMAKLEKG-LBPRGKRZSA-N 1 3 318.343 2.149 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000449330568 240383192 /nfs/dbraw/zinc/38/31/92/240383192.db2.gz UVSAPDKJZDPHTF-HZPDHXFCSA-N 1 3 309.498 2.474 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)C2([NH3+])CCC2)N2CCCC2)cc1 ZINC000449336529 240385844 /nfs/dbraw/zinc/38/58/44/240385844.db2.gz NXUCQLCGVXJKAX-MRXNPFEDSA-N 1 3 301.434 2.130 20 0 DEADHO C[NH+]1CCC(O)(CNCc2csc(C(F)(F)F)c2)CC1 ZINC000623428607 365026507 /nfs/dbraw/zinc/02/65/07/365026507.db2.gz REXZAGNJGPZSNQ-UHFFFAOYSA-N 1 3 308.369 2.313 20 0 DEADHO C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121339 365296167 /nfs/dbraw/zinc/29/61/67/365296167.db2.gz UEPLABAFRYQUMS-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H](CC(=O)N1CCCCCC1)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624121339 365296169 /nfs/dbraw/zinc/29/61/69/365296169.db2.gz UEPLABAFRYQUMS-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H](CC(=O)N1CCCCCC1)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121339 365296171 /nfs/dbraw/zinc/29/61/71/365296171.db2.gz UEPLABAFRYQUMS-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(-n2cnnn2)cc1 ZINC000624121474 365296851 /nfs/dbraw/zinc/29/68/51/365296851.db2.gz XJQYGCMUYJMJMB-LSDHHAIUSA-N 1 3 314.437 2.045 20 0 DEADHO CCC[NH+]1CCC(NCC[C@@H](O)COCc2ccccc2)CC1 ZINC000624322155 365380732 /nfs/dbraw/zinc/38/07/32/365380732.db2.gz GHBZFSIWSMUVRT-LJQANCHMSA-N 1 3 320.477 2.418 20 0 DEADHO C[N@@H+]1CCCC[C@H](CNC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000628750130 366952259 /nfs/dbraw/zinc/95/22/59/366952259.db2.gz NVXMOHJGMLYPHB-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO C[N@H+]1CCCC[C@H](CNC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000628750130 366952262 /nfs/dbraw/zinc/95/22/62/366952262.db2.gz NVXMOHJGMLYPHB-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO O[C@H](C[NH2+]C[C@H]1SCCc2ccccc21)CN1CCCC1 ZINC000629564499 367254521 /nfs/dbraw/zinc/25/45/21/367254521.db2.gz LOCAQDQCFJCUOX-NVXWUHKLSA-N 1 3 306.475 2.063 20 0 DEADHO O[C@@H](CNCCCc1c[nH]c2ccc(F)cc12)C[NH+]1CCCC1 ZINC000629578596 367258741 /nfs/dbraw/zinc/25/87/41/367258741.db2.gz TYTFZBOQCLZTFS-INIZCTEOSA-N 1 3 319.424 2.286 20 0 DEADHO O[C@@H](C[NH2+][C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)CN1CCCC1 ZINC000629579130 367258881 /nfs/dbraw/zinc/25/88/81/367258881.db2.gz YXEHWMPLWJOQEO-HEHGZKQESA-N 1 3 312.816 2.381 20 0 DEADHO CN1CCN(CC[NH2+][C@@H]2CCCc3ncccc32)CC1(C)C ZINC000631625848 368316139 /nfs/dbraw/zinc/31/61/39/368316139.db2.gz QTIUBFVHWHCKFW-QGZVFWFLSA-N 1 3 302.466 2.075 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H]2CCc3cc(OC)ccc32)CC1 ZINC000631567378 368290959 /nfs/dbraw/zinc/29/09/59/368290959.db2.gz YZIIYFNAXOWPIM-LJQANCHMSA-N 1 3 317.477 2.300 20 0 DEADHO CC(C)N1CCN(CCC[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000451481348 243012607 /nfs/dbraw/zinc/01/26/07/243012607.db2.gz SYFWGTYRBAJCBG-KSZLIROESA-N 1 3 323.525 2.196 20 0 DEADHO N[C@@H]1CCCCC[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000631833851 368412159 /nfs/dbraw/zinc/41/21/59/368412159.db2.gz KGNCBKUCTKJQLK-CQSZACIVSA-N 1 3 311.376 2.497 20 0 DEADHO N[C@@H]1CCCCC[N@@H+](CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000631833851 368412161 /nfs/dbraw/zinc/41/21/61/368412161.db2.gz KGNCBKUCTKJQLK-CQSZACIVSA-N 1 3 311.376 2.497 20 0 DEADHO [NH3+][C@@H]1CCCC[C@H]1CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000261532964 203074569 /nfs/dbraw/zinc/07/45/69/203074569.db2.gz ASIZQAIIMLPWDE-RCCFBDPRSA-N 1 3 315.461 2.285 20 0 DEADHO CN(C(=O)[C@@]1(C)CC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000261532291 203076202 /nfs/dbraw/zinc/07/62/02/203076202.db2.gz ACEWPKWXMVYSSX-IBGZPJMESA-N 1 3 315.461 2.109 20 0 DEADHO O=C(CC[C@@H]1CCC[NH2+]1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000261617397 203080962 /nfs/dbraw/zinc/08/09/62/203080962.db2.gz BTCZTLGWEYPIMN-ZWKOTPCHSA-N 1 3 315.461 2.472 20 0 DEADHO C[NH+](C)C1(CNC(=O)C[C@@H](N)c2ccccc2)CCCCC1 ZINC000261853271 203134761 /nfs/dbraw/zinc/13/47/61/203134761.db2.gz DUYWCVFBIZHFIO-MRXNPFEDSA-N 1 3 303.450 2.457 20 0 DEADHO C[C@H](C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)[C@H](N)c1ccccc1 ZINC000262328619 203264843 /nfs/dbraw/zinc/26/48/43/203264843.db2.gz SCSLRVBMDKINTQ-OTRWWLKZSA-N 1 3 301.434 2.018 20 0 DEADHO C[C@H](C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)[C@H](N)c1ccccc1 ZINC000262328619 203264844 /nfs/dbraw/zinc/26/48/44/203264844.db2.gz SCSLRVBMDKINTQ-OTRWWLKZSA-N 1 3 301.434 2.018 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@@H](N)c1ccccc1 ZINC000262682939 203380252 /nfs/dbraw/zinc/38/02/52/203380252.db2.gz YWYYBWAPXBRTSU-PQEBFOHHSA-N 1 3 303.450 2.312 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H]2CC[C@@H](C)O2)CC1 ZINC000453636729 245229444 /nfs/dbraw/zinc/22/94/44/245229444.db2.gz XHDYEEOFIYRKQE-SJLPKXTDSA-N 1 3 317.477 2.486 20 0 DEADHO O=C(Nc1ccc2c(c1)CNCC2)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000415879949 284327189 /nfs/dbraw/zinc/32/71/89/284327189.db2.gz DBXGWUNSFOFSEX-IAGOWNOFSA-N 1 3 314.433 2.081 20 0 DEADHO O=C(Nc1ccc2c(c1)CNCC2)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000415879949 284327191 /nfs/dbraw/zinc/32/71/91/284327191.db2.gz DBXGWUNSFOFSEX-IAGOWNOFSA-N 1 3 314.433 2.081 20 0 DEADHO CN(C(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCN(C)C1 ZINC000266089160 205087177 /nfs/dbraw/zinc/08/71/77/205087177.db2.gz HSPCPVAEWOYQGD-SFHVURJKSA-N 1 3 315.461 2.449 20 0 DEADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000268016190 206398125 /nfs/dbraw/zinc/39/81/25/206398125.db2.gz UBHWWXNRRCADFJ-OAHLLOKOSA-N 1 3 324.469 2.083 20 0 DEADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000268016190 206398129 /nfs/dbraw/zinc/39/81/29/206398129.db2.gz UBHWWXNRRCADFJ-OAHLLOKOSA-N 1 3 324.469 2.083 20 0 DEADHO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H](N)Cc1ccccc1 ZINC000236858382 284607126 /nfs/dbraw/zinc/60/71/26/284607126.db2.gz ODFRMCVSGWDNHM-RDJZCZTQSA-N 1 3 305.466 2.183 20 0 DEADHO C[C@H]1[C@H](C)N(Cc2ccc(OCC[NH+](C)C)cc2)CCN1C ZINC000681490939 542156615 /nfs/dbraw/zinc/15/66/15/542156615.db2.gz FPEKEVOAFAHOQL-HOTGVXAUSA-N 1 3 305.466 2.151 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2CCO)cc1 ZINC000681704628 542192569 /nfs/dbraw/zinc/19/25/69/542192569.db2.gz HDAOCRJFVAJRRX-AEFFLSMTSA-N 1 3 306.450 2.268 20 0 DEADHO C[C@H](CNC(=O)NCC(C)(C)[NH+]1CCCCC1)N(C)C1CC1 ZINC000105081516 194070807 /nfs/dbraw/zinc/07/08/07/194070807.db2.gz FOBLYUVYBXAAIC-CQSZACIVSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H](NCCc1ccc(OCC[NH+](C)C)cc1)c1cnccn1 ZINC000268843557 207010093 /nfs/dbraw/zinc/01/00/93/207010093.db2.gz DKDLCBVEDFFHOP-OAHLLOKOSA-N 1 3 314.433 2.310 20 0 DEADHO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000268909759 207077225 /nfs/dbraw/zinc/07/72/25/207077225.db2.gz MYWHGOGAWTVNQH-MAUKXSAKSA-N 1 3 324.465 2.065 20 0 DEADHO C[C@H](NCC1(O)CC[NH+](C)CC1)c1ccccc1OC(F)F ZINC000268962834 207125206 /nfs/dbraw/zinc/12/52/06/207125206.db2.gz GBPYNWISYVFNQL-LBPRGKRZSA-N 1 3 314.376 2.395 20 0 DEADHO C[C@](C[NH3+])(NC(=O)C1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000269221055 207338881 /nfs/dbraw/zinc/33/88/81/207338881.db2.gz RLVUYVYXZLTJKY-LJQANCHMSA-N 1 3 315.461 2.142 20 0 DEADHO C[C@@H]1CCCC[C@@H]1C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414479299 296328007 /nfs/dbraw/zinc/32/80/07/296328007.db2.gz HGIAGVWWCKOIAN-QZTJIDSGSA-N 1 3 323.525 2.199 20 0 DEADHO C[C@@H]1C[C@@H](O)CN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000682644498 542333612 /nfs/dbraw/zinc/33/36/12/542333612.db2.gz KQKXMYLRZLYNQW-NVXWUHKLSA-N 1 3 304.434 2.116 20 0 DEADHO CCN1CCN(CCC[NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000119623267 195005567 /nfs/dbraw/zinc/00/55/67/195005567.db2.gz VTBQKELQGOMBCR-UHFFFAOYSA-N 1 3 305.510 2.428 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC000119701260 195020863 /nfs/dbraw/zinc/02/08/63/195020863.db2.gz MDADKSMUVDMNIF-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC000119701260 195020865 /nfs/dbraw/zinc/02/08/65/195020865.db2.gz MDADKSMUVDMNIF-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO C[NH+](C)CCCCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000556939439 291852033 /nfs/dbraw/zinc/85/20/33/291852033.db2.gz DZVQJQZWRWVSBF-UHFFFAOYSA-N 1 3 317.477 2.499 20 0 DEADHO C[C@H](CCn1cccn1)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000157606797 197201561 /nfs/dbraw/zinc/20/15/61/197201561.db2.gz IKEYMMCSBZKXEY-MRXNPFEDSA-N 1 3 316.449 2.392 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000683420123 542446927 /nfs/dbraw/zinc/44/69/27/542446927.db2.gz BJGGEYDFYQKFSA-NVXWUHKLSA-N 1 3 322.497 2.175 20 0 DEADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000683420122 542446938 /nfs/dbraw/zinc/44/69/38/542446938.db2.gz BJGGEYDFYQKFSA-DOTOQJQBSA-N 1 3 322.497 2.175 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)C(C)(F)F ZINC000339655349 285279257 /nfs/dbraw/zinc/27/92/57/285279257.db2.gz MFONOMRYVIZWST-KGLIPLIRSA-N 1 3 319.440 2.152 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)C(C)(F)F ZINC000339655349 285279261 /nfs/dbraw/zinc/27/92/61/285279261.db2.gz MFONOMRYVIZWST-KGLIPLIRSA-N 1 3 319.440 2.152 20 0 DEADHO COCc1ccc(CN(C)CC[N@H+](C)C2CCN(C)CC2)cc1 ZINC000289808127 221241920 /nfs/dbraw/zinc/24/19/20/221241920.db2.gz NGFVMADHDVTARM-UHFFFAOYSA-N 1 3 319.493 2.291 20 0 DEADHO COCc1ccc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000289808127 221241922 /nfs/dbraw/zinc/24/19/22/221241922.db2.gz NGFVMADHDVTARM-UHFFFAOYSA-N 1 3 319.493 2.291 20 0 DEADHO C[C@H](NC(=O)NC[C@@H]1N(C)CCCC1(C)C)C1CC[NH+](C)CC1 ZINC000684117402 542553477 /nfs/dbraw/zinc/55/34/77/542553477.db2.gz OCQBNESPQJIDPS-HOCLYGCPSA-N 1 3 324.513 2.136 20 0 DEADHO COCCOc1ccc(CN2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000442918180 533238354 /nfs/dbraw/zinc/23/83/54/533238354.db2.gz GDMCIFVRDNKOPB-OAHLLOKOSA-N 1 3 322.449 2.281 20 0 DEADHO C[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)[C@H]1CCCCN1 ZINC000422695317 533338813 /nfs/dbraw/zinc/33/88/13/533338813.db2.gz PKHLZDATDZAIHC-CRAIPNDOSA-N 1 3 302.466 2.166 20 0 DEADHO C[C@@H](NC1CCN(Cc2ccncc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422695317 533338824 /nfs/dbraw/zinc/33/88/24/533338824.db2.gz PKHLZDATDZAIHC-CRAIPNDOSA-N 1 3 302.466 2.166 20 0 DEADHO C[C@@H](NC[C@@H](CO)Cc1ccccc1C(F)(F)F)C1C[NH2+]C1 ZINC000422994213 533410365 /nfs/dbraw/zinc/41/03/65/533410365.db2.gz UXFXUPJPMXMOLD-NEPJUHHUSA-N 1 3 316.367 2.054 20 0 DEADHO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F)C1CNC1 ZINC000422994213 533410370 /nfs/dbraw/zinc/41/03/70/533410370.db2.gz UXFXUPJPMXMOLD-NEPJUHHUSA-N 1 3 316.367 2.054 20 0 DEADHO C[C@@H](CC[NH3+])NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000417674786 533576545 /nfs/dbraw/zinc/57/65/45/533576545.db2.gz AYPGSYDWAMMQEV-GJZGRUSLSA-N 1 3 318.465 2.249 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N(C)CCC[NH+](C)C ZINC000562673274 292001671 /nfs/dbraw/zinc/00/16/71/292001671.db2.gz JOMUJPYLECZPBA-INIZCTEOSA-N 1 3 312.502 2.090 20 0 DEADHO CC(C)Cn1cc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cn1 ZINC000562751401 292008803 /nfs/dbraw/zinc/00/88/03/292008803.db2.gz QYXFLZBOWPJLRU-QZTJIDSGSA-N 1 3 320.481 2.257 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2cccnc2)C[C@H]1C ZINC000358228499 133129961 /nfs/dbraw/zinc/12/99/61/133129961.db2.gz VOJZLMURNHNPCM-ZBFHGGJFSA-N 1 3 304.438 2.215 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2cccnc2)C[C@H]1C ZINC000358228499 133129962 /nfs/dbraw/zinc/12/99/62/133129962.db2.gz VOJZLMURNHNPCM-ZBFHGGJFSA-N 1 3 304.438 2.215 20 0 DEADHO CN(C[C@H]1CCCN(C)C1)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000358234688 133130307 /nfs/dbraw/zinc/13/03/07/133130307.db2.gz LJOHYIZKSIQTOK-INIZCTEOSA-N 1 3 324.513 2.092 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000360005941 133156961 /nfs/dbraw/zinc/15/69/61/133156961.db2.gz IAFYYRYSIKJJLA-IAGOWNOFSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000360005941 133156962 /nfs/dbraw/zinc/15/69/62/133156962.db2.gz IAFYYRYSIKJJLA-IAGOWNOFSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCc1nnc2n1CCCCC2 ZINC000562958645 292019600 /nfs/dbraw/zinc/01/96/00/292019600.db2.gz HPYAJZPBTTVKBT-HOTGVXAUSA-N 1 3 319.497 2.447 20 0 DEADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCc1nnc2n1CCCCC2 ZINC000562958646 292019613 /nfs/dbraw/zinc/01/96/13/292019613.db2.gz HPYAJZPBTTVKBT-HZPDHXFCSA-N 1 3 319.497 2.447 20 0 DEADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000562962738 292019840 /nfs/dbraw/zinc/01/98/40/292019840.db2.gz REJODZOHMRNWDZ-JCHJZTRSSA-N 1 3 317.477 2.135 20 0 DEADHO CS[C@H]1CN(CCCCn2ccnc2C)C[C@@H]1[NH+]1CCCC1 ZINC000362031010 133206463 /nfs/dbraw/zinc/20/64/63/133206463.db2.gz YLGOCKKAKHWJAJ-IRXDYDNUSA-N 1 3 322.522 2.483 20 0 DEADHO C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000376330245 133290619 /nfs/dbraw/zinc/29/06/19/133290619.db2.gz CENJDVGVXPYESE-IAGOWNOFSA-N 1 3 317.477 2.403 20 0 DEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccccc2F)C1 ZINC000562989138 292022216 /nfs/dbraw/zinc/02/22/16/292022216.db2.gz GAIYRCRRMDOHAG-RRFJBIMHSA-N 1 3 310.413 2.028 20 0 DEADHO COc1ccc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1O ZINC000563460689 292058602 /nfs/dbraw/zinc/05/86/02/292058602.db2.gz FGEPSNZIRBVMPJ-MAUKXSAKSA-N 1 3 320.433 2.119 20 0 DEADHO Cc1nc(C)c(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)s1 ZINC000563693228 292069979 /nfs/dbraw/zinc/06/99/79/292069979.db2.gz VEQSPPGFFJNSFF-HOCLYGCPSA-N 1 3 309.479 2.478 20 0 DEADHO CCNC(=O)CCN(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000563713501 292070492 /nfs/dbraw/zinc/07/04/92/292070492.db2.gz FYUCOAXHALUAHA-HNNXBMFYSA-N 1 3 323.506 2.336 20 0 DEADHO CCNC(=O)CCN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000563713501 292070493 /nfs/dbraw/zinc/07/04/93/292070493.db2.gz FYUCOAXHALUAHA-HNNXBMFYSA-N 1 3 323.506 2.336 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000564823005 292113194 /nfs/dbraw/zinc/11/31/94/292113194.db2.gz PISDURBPPHPBCQ-PBWTXFEYSA-N 1 3 317.477 2.245 20 0 DEADHO CC(C)[NH+]1CCN(CCCNC(C)(C)c2nccs2)CC1 ZINC000191574481 145060928 /nfs/dbraw/zinc/06/09/28/145060928.db2.gz AFDYCMMPGXQNPK-UHFFFAOYSA-N 1 3 310.511 2.384 20 0 DEADHO CC[N@@H+]1CC[C@@H](NCCNC(=O)CC2CCCCC2)[C@@H](C)C1 ZINC000246510767 145104708 /nfs/dbraw/zinc/10/47/08/145104708.db2.gz UAWGHNIDLSMZKT-DOTOQJQBSA-N 1 3 309.498 2.393 20 0 DEADHO CC[N@H+]1CC[C@@H](NCCNC(=O)CC2CCCCC2)[C@@H](C)C1 ZINC000246510767 145104711 /nfs/dbraw/zinc/10/47/11/145104711.db2.gz UAWGHNIDLSMZKT-DOTOQJQBSA-N 1 3 309.498 2.393 20 0 DEADHO CCN1CC[C@H]([NH2+]Cc2ccc(-n3ccnc3C)nc2)[C@@H](C)C1 ZINC000246881826 145117624 /nfs/dbraw/zinc/11/76/24/145117624.db2.gz DYHRQWSMGVPVRA-YOEHRIQHSA-N 1 3 313.449 2.396 20 0 DEADHO COCC[C@](C)(O)CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000248176684 145150129 /nfs/dbraw/zinc/15/01/29/145150129.db2.gz VRRITLXJJNGJPL-NXHRZFHOSA-N 1 3 312.498 2.407 20 0 DEADHO COCC[C@](C)(O)C[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000248176684 145150131 /nfs/dbraw/zinc/15/01/31/145150131.db2.gz VRRITLXJJNGJPL-NXHRZFHOSA-N 1 3 312.498 2.407 20 0 DEADHO CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000261538972 145205852 /nfs/dbraw/zinc/20/58/52/145205852.db2.gz BGBYCCDTXRSRIE-MRXNPFEDSA-N 1 3 303.450 2.142 20 0 DEADHO C[C@H]1CC[NH2+][C@@H](C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000261533141 145206449 /nfs/dbraw/zinc/20/64/49/145206449.db2.gz ATEGQNPBYDUMBJ-MAUKXSAKSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H](NC(=O)C1(N)CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261557592 145207497 /nfs/dbraw/zinc/20/74/97/145207497.db2.gz XNOUFLZMWBEJTH-NVXWUHKLSA-N 1 3 315.461 2.285 20 0 DEADHO C[C@@H](NC(=O)C1(N)CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261557592 145207500 /nfs/dbraw/zinc/20/75/00/145207500.db2.gz XNOUFLZMWBEJTH-NVXWUHKLSA-N 1 3 315.461 2.285 20 0 DEADHO COc1ccc(CN2CCC[C@@H](CC[NH3+])C2)c(OC)c1OC ZINC000262037506 145255054 /nfs/dbraw/zinc/25/50/54/145255054.db2.gz ZUOILUMGSXVRFP-ZDUSSCGKSA-N 1 3 308.422 2.273 20 0 DEADHO Cc1cccc(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])c1C ZINC000262131705 145264664 /nfs/dbraw/zinc/26/46/64/145264664.db2.gz YEYJBMCHWKNVRB-QGZVFWFLSA-N 1 3 303.450 2.123 20 0 DEADHO CC(C)[C@@H](CN[C@H](C)C[C@@H]1CCCCC[NH2+]1)N1CCN(C)CC1 ZINC000321029373 145376523 /nfs/dbraw/zinc/37/65/23/145376523.db2.gz WMIBLVNNXOQGQO-CEXWTWQISA-N 1 3 324.557 2.159 20 0 DEADHO CCN1CCN(c2ccc(NC(=O)[C@H](C)[C@@H](C)[NH3+])c(C)c2)CC1 ZINC000322836190 145379667 /nfs/dbraw/zinc/37/96/67/145379667.db2.gz KDCICEMEHQOWSH-HUUCEWRRSA-N 1 3 318.465 2.059 20 0 DEADHO C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000346155548 146026285 /nfs/dbraw/zinc/02/62/85/146026285.db2.gz ARMRJBLEIVQAGZ-GDBMZVCRSA-N 1 3 321.440 2.104 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000346786286 146142561 /nfs/dbraw/zinc/14/25/61/146142561.db2.gz KCOWSJNHJJZZKE-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO COc1ccc(CN2CCCN(C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000346833872 146150313 /nfs/dbraw/zinc/15/03/13/146150313.db2.gz MSXXNIWFGPVCQX-GOSISDBHSA-N 1 3 317.477 2.203 20 0 DEADHO C[C@@H](CCc1ccccc1)C[N@@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000348974816 146335548 /nfs/dbraw/zinc/33/55/48/146335548.db2.gz MKFMRQXQRDIUNI-PKOBYXMFSA-N 1 3 301.478 2.235 20 0 DEADHO C[C@@H](CCc1ccccc1)C[N@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000348974816 146335549 /nfs/dbraw/zinc/33/55/49/146335549.db2.gz MKFMRQXQRDIUNI-PKOBYXMFSA-N 1 3 301.478 2.235 20 0 DEADHO CC[NH+](CC)CCOCCN[C@@H](C)c1ccc2c(c1)OCO2 ZINC000349660131 146394464 /nfs/dbraw/zinc/39/44/64/146394464.db2.gz BJOQILGSIJWBHP-AWEZNQCLSA-N 1 3 308.422 2.424 20 0 DEADHO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000352150941 146489785 /nfs/dbraw/zinc/48/97/85/146489785.db2.gz WEVFEXHPIITQBZ-ROUUACIJSA-N 1 3 319.493 2.442 20 0 DEADHO CC(=O)Nc1ccccc1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357038949 147028051 /nfs/dbraw/zinc/02/80/51/147028051.db2.gz AKRHLEVDNSRLQF-MRXNPFEDSA-N 1 3 301.434 2.467 20 0 DEADHO C[C@@H](CNC(=O)NCC1(C)CC[NH+](C)CC1)N1CCC(C)CC1 ZINC000357211277 147064498 /nfs/dbraw/zinc/06/44/98/147064498.db2.gz ZZEXAXGGCBSPCS-INIZCTEOSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)[C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000357254044 147073362 /nfs/dbraw/zinc/07/33/62/147073362.db2.gz YJBOYSDDXGEOSK-KBPBESRZSA-N 1 3 303.450 2.088 20 0 DEADHO C[C@@H](C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1)C1C[NH2+]C1 ZINC000357254045 147073722 /nfs/dbraw/zinc/07/37/22/147073722.db2.gz YJBOYSDDXGEOSK-KGLIPLIRSA-N 1 3 303.450 2.088 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)C1=CCN(C)CC1)[NH+]1CCCCC1 ZINC000358377975 147122666 /nfs/dbraw/zinc/12/26/66/147122666.db2.gz MZRNNIGUPMHWCN-NVXWUHKLSA-N 1 3 307.482 2.264 20 0 DEADHO C[C@H]1Cc2ccccc2N1C(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358501529 147145522 /nfs/dbraw/zinc/14/55/22/147145522.db2.gz AFWQFOWYFXBSGX-HNNXBMFYSA-N 1 3 313.445 2.040 20 0 DEADHO Cc1ccccc1CNC(=O)[C@@H](C)N1CCC2(C1)CC[NH2+]CC2 ZINC000358512115 147148427 /nfs/dbraw/zinc/14/84/27/147148427.db2.gz ULVBHFRFMSAEJP-MRXNPFEDSA-N 1 3 315.461 2.075 20 0 DEADHO C[C@@H](CN(C)C)NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000358537123 147152150 /nfs/dbraw/zinc/15/21/50/147152150.db2.gz ZESQBDQMKGLNQC-IRXDYDNUSA-N 1 3 324.513 2.090 20 0 DEADHO CCN(CCC1CC[NH2+]CC1)CC(=O)NCc1ccc(F)cc1 ZINC000359184049 147277384 /nfs/dbraw/zinc/27/73/84/147277384.db2.gz BIRNEVISAIEKTP-UHFFFAOYSA-N 1 3 321.440 2.154 20 0 DEADHO Cc1nc(-c2ccc(C)c(NC(=O)CC[NH2+]C(C)C)c2)n[nH]1 ZINC000565716916 292177381 /nfs/dbraw/zinc/17/73/81/292177381.db2.gz JVDFKXNCNIRKIJ-UHFFFAOYSA-N 1 3 301.394 2.415 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CCCC1CCOCC1 ZINC000375067948 148327350 /nfs/dbraw/zinc/32/73/50/148327350.db2.gz FZYKXEBPZUZCAL-KZNAEPCWSA-N 1 3 310.482 2.377 20 0 DEADHO C[C@H](C(=O)N1CCC2(CCC[N@@H+]2C)CC1)N1[C@H](C)CC[C@H]1C ZINC000375202046 148342986 /nfs/dbraw/zinc/34/29/86/148342986.db2.gz OQXQETJLEJUMKP-BZUAXINKSA-N 1 3 307.482 2.335 20 0 DEADHO C[C@H](C(=O)N1CCC2(CCC[N@H+]2C)CC1)N1[C@H](C)CC[C@H]1C ZINC000375202046 148342987 /nfs/dbraw/zinc/34/29/87/148342987.db2.gz OQXQETJLEJUMKP-BZUAXINKSA-N 1 3 307.482 2.335 20 0 DEADHO OC[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)Cc1ccco1 ZINC000565996127 292196130 /nfs/dbraw/zinc/19/61/30/292196130.db2.gz IXMOSUKZGHRWQG-HNNXBMFYSA-N 1 3 315.417 2.084 20 0 DEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)Nc1ccc(N2CCNCC2)cn1 ZINC000566088008 292204061 /nfs/dbraw/zinc/20/40/61/292204061.db2.gz KWDBOPAQYNNLBY-CVEARBPZSA-N 1 3 317.481 2.214 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)N(C)C ZINC000126502646 401697406 /nfs/dbraw/zinc/69/74/06/401697406.db2.gz CKRIRAYGFUEERE-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000111474093 401716843 /nfs/dbraw/zinc/71/68/43/401716843.db2.gz IIPJYLICNUVAKD-INIZCTEOSA-N 1 3 324.513 2.423 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000073569831 401718773 /nfs/dbraw/zinc/71/87/73/401718773.db2.gz BDKVLOWCBOLNKB-UHFFFAOYSA-N 1 3 322.497 2.034 20 0 DEADHO CC[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(C)C ZINC000129246003 401800591 /nfs/dbraw/zinc/80/05/91/401800591.db2.gz FEDAVFQAMVBHRZ-QGZVFWFLSA-N 1 3 303.450 2.239 20 0 DEADHO C[NH+](C)CCCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000114675106 401805921 /nfs/dbraw/zinc/80/59/21/401805921.db2.gz KMZNFIKSGAJJJI-MRXNPFEDSA-N 1 3 321.440 2.106 20 0 DEADHO CC(C)[C@H](C(=O)NC1CCN(Cc2ccsc2)CC1)[NH+](C)C ZINC000115444430 401828368 /nfs/dbraw/zinc/82/83/68/401828368.db2.gz OPVLPNGOSJMATR-MRXNPFEDSA-N 1 3 323.506 2.415 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)C[C@H]2CC[NH2+]C2)N2CCCC2)cc1 ZINC000130570819 401835469 /nfs/dbraw/zinc/83/54/69/401835469.db2.gz LCWUPKQUUYWJIJ-SJLPKXTDSA-N 1 3 315.461 2.248 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCCN2CCCCC2)C1 ZINC000078988585 401868900 /nfs/dbraw/zinc/86/89/00/401868900.db2.gz INFPUIFPPOKEEJ-CALCHBBNSA-N 1 3 324.513 2.140 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCCN2CCCCC2)C1 ZINC000078988585 401868902 /nfs/dbraw/zinc/86/89/02/401868902.db2.gz INFPUIFPPOKEEJ-CALCHBBNSA-N 1 3 324.513 2.140 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN(C)C2CCC(C)(C)CC2)CC1 ZINC000088615211 401934021 /nfs/dbraw/zinc/93/40/21/401934021.db2.gz HJSUEPIDDVMGJR-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CCN(Cc1ccc(C(=O)N2CCC[C@H]([NH2+]C)C2)cc1)C1CC1 ZINC000134070405 401898665 /nfs/dbraw/zinc/89/86/65/401898665.db2.gz UJGGCTRLFOWAJN-KRWDZBQOSA-N 1 3 315.461 2.495 20 0 DEADHO CC[C@]1(C(=O)NCCCN2CCc3ccccc3C2)CCC[NH2+]1 ZINC000134570039 401906816 /nfs/dbraw/zinc/90/68/16/401906816.db2.gz MSDDOJNUTRMTHJ-LJQANCHMSA-N 1 3 315.461 2.083 20 0 DEADHO CN(CCC(=O)Nc1cccc(F)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842426 401911152 /nfs/dbraw/zinc/91/11/52/401911152.db2.gz BHNYOAZIIOJQAS-CQSZACIVSA-N 1 3 307.413 2.428 20 0 DEADHO CN(CCC(=O)Nc1cccc(F)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842426 401911155 /nfs/dbraw/zinc/91/11/55/401911155.db2.gz BHNYOAZIIOJQAS-CQSZACIVSA-N 1 3 307.413 2.428 20 0 DEADHO CCC1(CNC(=O)N(CCN(C)C)CC[NH+](C)C)CCCC1 ZINC000119927659 401971644 /nfs/dbraw/zinc/97/16/44/401971644.db2.gz NMGSRFUISZGLPP-UHFFFAOYSA-N 1 3 312.502 2.092 20 0 DEADHO CN1CCC[C@@H]1CC[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000089424785 401946533 /nfs/dbraw/zinc/94/65/33/401946533.db2.gz ANTUZEGMBAJUTH-QGZVFWFLSA-N 1 3 307.482 2.195 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](NCCc2ccccn2)[C@H](C)C1 ZINC000151406835 402034251 /nfs/dbraw/zinc/03/42/51/402034251.db2.gz OYHIWIRRBFBITL-AEFFLSMTSA-N 1 3 305.466 2.351 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](NCCc2ccccn2)[C@H](C)C1 ZINC000151406835 402034253 /nfs/dbraw/zinc/03/42/53/402034253.db2.gz OYHIWIRRBFBITL-AEFFLSMTSA-N 1 3 305.466 2.351 20 0 DEADHO O=C(CN1CCC(CCC[NH+]2CCCC2)CC1)N1CCCC1 ZINC000121761376 402051413 /nfs/dbraw/zinc/05/14/13/402051413.db2.gz WDWRXAIGTGTUCT-UHFFFAOYSA-N 1 3 307.482 2.197 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1ccccc1OCCN(C)C ZINC000122331472 402073026 /nfs/dbraw/zinc/07/30/26/402073026.db2.gz UTNMDYTUZJCCDT-SOLBZPMBSA-N 1 3 319.493 2.445 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1ccccc1OCCN(C)C ZINC000122331472 402073027 /nfs/dbraw/zinc/07/30/27/402073027.db2.gz UTNMDYTUZJCCDT-SOLBZPMBSA-N 1 3 319.493 2.445 20 0 DEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCN2CCCCC2)C1 ZINC000097257301 402120317 /nfs/dbraw/zinc/12/03/17/402120317.db2.gz GZGWTXGGSBSXTH-MRXNPFEDSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCN2CCCCC2)C1 ZINC000097257301 402120319 /nfs/dbraw/zinc/12/03/19/402120319.db2.gz GZGWTXGGSBSXTH-MRXNPFEDSA-N 1 3 324.513 2.282 20 0 DEADHO CO[C@](C)([C@@H](C)[NH2+]CCCN1CCN(C(C)C)CC1)C1CC1 ZINC000411967539 286149099 /nfs/dbraw/zinc/14/90/99/286149099.db2.gz IDZIOEDMILLOJO-SJLPKXTDSA-N 1 3 311.514 2.196 20 0 DEADHO CCC[NH+]1CCC(CNC(=O)[C@H](C2CC2)N2CCCC2)CC1 ZINC000123831467 402149112 /nfs/dbraw/zinc/14/91/12/402149112.db2.gz GLMPXIZFGUUHCO-KRWDZBQOSA-N 1 3 307.482 2.099 20 0 DEADHO CCN(CC)CC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000068080328 402183303 /nfs/dbraw/zinc/18/33/03/402183303.db2.gz VGVZHMZUCRIYMD-UHFFFAOYSA-N 1 3 317.477 2.152 20 0 DEADHO CC[C@@H](O)CC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000124316348 402174595 /nfs/dbraw/zinc/17/45/95/402174595.db2.gz NDOLIOWTOQEJSB-GOSISDBHSA-N 1 3 319.493 2.468 20 0 DEADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CNC3CC3)cc2)C1 ZINC000154623182 402222270 /nfs/dbraw/zinc/22/22/70/402222270.db2.gz VODWYPIOVCVWHP-OAHLLOKOSA-N 1 3 315.461 2.287 20 0 DEADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CNC3CC3)cc2)C1 ZINC000154623182 402222274 /nfs/dbraw/zinc/22/22/74/402222274.db2.gz VODWYPIOVCVWHP-OAHLLOKOSA-N 1 3 315.461 2.287 20 0 DEADHO C[C@H](CNC(=O)NCCN1CCC(C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000107734256 402239554 /nfs/dbraw/zinc/23/95/54/402239554.db2.gz VIHGYOBHGPIAPL-DLBZAZTESA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](CNC(=O)NCCN1CCC(C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000107734256 402239557 /nfs/dbraw/zinc/23/95/57/402239557.db2.gz VIHGYOBHGPIAPL-DLBZAZTESA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)[C@@H](CNC(=O)N[C@@H](C)CN1CCCCC1)[NH+]1CCCC1 ZINC000105129692 402206652 /nfs/dbraw/zinc/20/66/52/402206652.db2.gz GCZAPQGGCROLKL-DLBZAZTESA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)N(C)C1CC1 ZINC000105263892 402207667 /nfs/dbraw/zinc/20/76/67/402207667.db2.gz IKRRZTMPIGWXDK-RDJZCZTQSA-N 1 3 322.497 2.129 20 0 DEADHO [NH3+]CC1(O)CCN(CCOc2cccc3ccccc32)CC1 ZINC000071655986 402276614 /nfs/dbraw/zinc/27/66/14/402276614.db2.gz PDXSDRYCUNIZKB-UHFFFAOYSA-N 1 3 300.402 2.004 20 0 DEADHO CCC(CC)[C@H](CNC(=O)N(C)CCN(C)C)[NH+]1CCCC1 ZINC000176189577 402288176 /nfs/dbraw/zinc/28/81/76/402288176.db2.gz MHIALBVDZLLIPS-INIZCTEOSA-N 1 3 312.502 2.090 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NC1CC1 ZINC000184746070 402296442 /nfs/dbraw/zinc/29/64/42/402296442.db2.gz IYPINZAKPPLDIJ-GJZGRUSLSA-N 1 3 315.461 2.011 20 0 DEADHO CC[C@H](C)CN(C)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000158510491 402306975 /nfs/dbraw/zinc/30/69/75/402306975.db2.gz BSEOJHIRUNIZRH-RDJZCZTQSA-N 1 3 305.466 2.383 20 0 DEADHO CC[C@H](C)C[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000158510491 402306977 /nfs/dbraw/zinc/30/69/77/402306977.db2.gz BSEOJHIRUNIZRH-RDJZCZTQSA-N 1 3 305.466 2.383 20 0 DEADHO CC[C@H](C)C[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000158510491 402306979 /nfs/dbraw/zinc/30/69/79/402306979.db2.gz BSEOJHIRUNIZRH-RDJZCZTQSA-N 1 3 305.466 2.383 20 0 DEADHO CC1CCN([C@@H](CNC(=O)[C@H]2CC[NH2+]C2)c2ccccc2)CC1 ZINC000236653286 402371421 /nfs/dbraw/zinc/37/14/21/402371421.db2.gz ZZVTYVINOVRUGF-ROUUACIJSA-N 1 3 315.461 2.185 20 0 DEADHO CC(C)(C)[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000236694672 402375127 /nfs/dbraw/zinc/37/51/27/402375127.db2.gz RGKIRHVMQBKTGN-JKSUJKDBSA-N 1 3 303.450 2.141 20 0 DEADHO CC(C)(C)[C@H](N)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000236694672 402375128 /nfs/dbraw/zinc/37/51/28/402375128.db2.gz RGKIRHVMQBKTGN-JKSUJKDBSA-N 1 3 303.450 2.141 20 0 DEADHO C[C@H](CNC(=O)C[C@H](N)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000236723656 402378223 /nfs/dbraw/zinc/37/82/23/402378223.db2.gz XKZBVTDMXHNUER-WBVHZDCISA-N 1 3 303.450 2.313 20 0 DEADHO CC1CCN(C[C@@H](O)C[NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000236849228 402385254 /nfs/dbraw/zinc/38/52/54/402385254.db2.gz WIPNOTKQUGNJCU-KRWDZBQOSA-N 1 3 301.434 2.350 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000236848748 402385371 /nfs/dbraw/zinc/38/53/71/402385371.db2.gz USBBVNYFOVILAI-OIISXLGYSA-N 1 3 307.482 2.097 20 0 DEADHO C[N@H+](CCNC(=O)[C@H](CN)c1ccccc1)C1CCCCC1 ZINC000237145618 402396743 /nfs/dbraw/zinc/39/67/43/402396743.db2.gz JOLNSZPXQCGRED-QGZVFWFLSA-N 1 3 303.450 2.110 20 0 DEADHO C[N@@H+](CCNC(=O)[C@H](CN)c1ccccc1)C1CCCCC1 ZINC000237145618 402396746 /nfs/dbraw/zinc/39/67/46/402396746.db2.gz JOLNSZPXQCGRED-QGZVFWFLSA-N 1 3 303.450 2.110 20 0 DEADHO C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000237339920 402405186 /nfs/dbraw/zinc/40/51/86/402405186.db2.gz JIIKUUQRDFCOHA-QZTJIDSGSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)C2([NH3+])CCCC2)CN1Cc1ccccc1 ZINC000237529790 402411464 /nfs/dbraw/zinc/41/14/64/402411464.db2.gz SUFPNXRBVRHQKH-GOEBONIOSA-N 1 3 301.434 2.037 20 0 DEADHO C[C@H](CC(=O)NCc1cccc(CN(C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC000237665843 402416986 /nfs/dbraw/zinc/41/69/86/402416986.db2.gz JDRWCQKVGZFWJT-CRAIPNDOSA-N 1 3 317.477 2.390 20 0 DEADHO O=C(CCC1CC[NH2+]CC1)N1CCN(CC2CCCCC2)CC1 ZINC000237947689 402427146 /nfs/dbraw/zinc/42/71/46/402427146.db2.gz KYRXECJGYDEKTI-UHFFFAOYSA-N 1 3 321.509 2.491 20 0 DEADHO [NH3+]CC1(C(=O)N2CCN(CC3CCCCC3)CC2)CCCC1 ZINC000238044106 402434101 /nfs/dbraw/zinc/43/41/01/402434101.db2.gz MWQIDBORUWFCIR-UHFFFAOYSA-N 1 3 307.482 2.230 20 0 DEADHO O=C(CC1CC[NH2+]CC1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000238140152 402439211 /nfs/dbraw/zinc/43/92/11/402439211.db2.gz KTCZWVOKCBCHTN-GOSISDBHSA-N 1 3 315.461 2.157 20 0 DEADHO Cc1nc(C)c([C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)s1 ZINC000177883200 402442523 /nfs/dbraw/zinc/44/25/23/402442523.db2.gz FQZCKKJSWFFQCO-ZDUSSCGKSA-N 1 3 310.511 2.437 20 0 DEADHO C[C@@H]([NH3+])[C@@H]1CCN(CCOc2ccc(Br)cc2)C1 ZINC000163239517 402445033 /nfs/dbraw/zinc/44/50/33/402445033.db2.gz FXBUGGOCSJMRRT-VXGBXAGGSA-N 1 3 313.239 2.497 20 0 DEADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cnn(C)c1 ZINC000178033932 402454401 /nfs/dbraw/zinc/45/44/01/402454401.db2.gz UAWRLYAMTVJYBG-INMHGKMJSA-N 1 3 308.470 2.350 20 0 DEADHO C[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)[C@@H](N)c1ccccc1 ZINC000165322542 402474758 /nfs/dbraw/zinc/47/47/58/402474758.db2.gz OFUQFIQDEOAXDG-BFYDXBDKSA-N 1 3 303.450 2.123 20 0 DEADHO C[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)[C@@H](N)c1ccccc1 ZINC000165322542 402474760 /nfs/dbraw/zinc/47/47/60/402474760.db2.gz OFUQFIQDEOAXDG-BFYDXBDKSA-N 1 3 303.450 2.123 20 0 DEADHO O=C(NCC1CCN(Cc2cccs2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000166208617 402482855 /nfs/dbraw/zinc/48/28/55/402482855.db2.gz DXOIAAOFVXYJDV-OAHLLOKOSA-N 1 3 321.490 2.076 20 0 DEADHO COCCOCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245749159 402485406 /nfs/dbraw/zinc/48/54/06/402485406.db2.gz TUFBPYYNNQNIKJ-LDLYASANSA-N 1 3 318.461 2.435 20 0 DEADHO COCCOCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245749159 402485408 /nfs/dbraw/zinc/48/54/08/402485408.db2.gz TUFBPYYNNQNIKJ-LDLYASANSA-N 1 3 318.461 2.435 20 0 DEADHO COCC[C@@](C)(O)CNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000178375069 402491422 /nfs/dbraw/zinc/49/14/22/402491422.db2.gz VRRITLXJJNGJPL-RYQLBKOJSA-N 1 3 312.498 2.407 20 0 DEADHO COCC[C@@](C)(O)C[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000178375069 402491425 /nfs/dbraw/zinc/49/14/25/402491425.db2.gz VRRITLXJJNGJPL-RYQLBKOJSA-N 1 3 312.498 2.407 20 0 DEADHO C[C@H]1C[C@H](NC(=O)C2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000167539489 402491566 /nfs/dbraw/zinc/49/15/66/402491566.db2.gz RRGYTSDVQDKZDI-MAUKXSAKSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H](N)c1ccccc1 ZINC000246836438 402546866 /nfs/dbraw/zinc/54/68/66/402546866.db2.gz ZQSNDFDCYULBNN-FRKNIRMPSA-N 1 3 315.461 2.454 20 0 DEADHO C[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H](N)c1ccccc1 ZINC000246836438 402546869 /nfs/dbraw/zinc/54/68/69/402546869.db2.gz ZQSNDFDCYULBNN-FRKNIRMPSA-N 1 3 315.461 2.454 20 0 DEADHO CCOC(=O)N[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)CC(C)C ZINC000247103619 402557103 /nfs/dbraw/zinc/55/71/03/402557103.db2.gz QBZXKFDPHORBIV-XUWVNRHRSA-N 1 3 313.486 2.466 20 0 DEADHO CCOC(=O)N[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)CC(C)C ZINC000247103619 402557104 /nfs/dbraw/zinc/55/71/04/402557104.db2.gz QBZXKFDPHORBIV-XUWVNRHRSA-N 1 3 313.486 2.466 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000246281644 402522876 /nfs/dbraw/zinc/52/28/76/402522876.db2.gz KBHQDHGLRCVZMC-QZWWFDLISA-N 1 3 324.513 2.088 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000246281644 402522879 /nfs/dbraw/zinc/52/28/79/402522879.db2.gz KBHQDHGLRCVZMC-QZWWFDLISA-N 1 3 324.513 2.088 20 0 DEADHO C[C@H]1C[C@H](NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)CN1C1CC1 ZINC000246422574 402530723 /nfs/dbraw/zinc/53/07/23/402530723.db2.gz VTPVQJJVYFZZNI-PMPSAXMXSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@H]1C[C@H](NC(=O)NCCC[N@H+]2CCCC[C@H]2C)CN1C1CC1 ZINC000246422574 402530724 /nfs/dbraw/zinc/53/07/24/402530724.db2.gz VTPVQJJVYFZZNI-PMPSAXMXSA-N 1 3 322.497 2.175 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000246512972 402534672 /nfs/dbraw/zinc/53/46/72/402534672.db2.gz UBRDBPLRRNIDOE-IAGOWNOFSA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000246512972 402534675 /nfs/dbraw/zinc/53/46/75/402534675.db2.gz UBRDBPLRRNIDOE-IAGOWNOFSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H](NC(=O)NC[C@H]1CCCN1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248410221 402589510 /nfs/dbraw/zinc/58/95/10/402589510.db2.gz XRSQEIDHUBIUHX-ZMSDIMECSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](NC(=O)NC[C@H]1CCCN1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248410221 402589513 /nfs/dbraw/zinc/58/95/13/402589513.db2.gz XRSQEIDHUBIUHX-ZMSDIMECSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](CCNC(=O)NCCN1CCC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000248447019 402591456 /nfs/dbraw/zinc/59/14/56/402591456.db2.gz GIUMHNFNKVCGDE-SJORKVTESA-N 1 3 324.513 2.282 20 0 DEADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cccc(Cl)n1 ZINC000180937139 402630671 /nfs/dbraw/zinc/63/06/71/402630671.db2.gz ORMHFGALKFJHFT-UHFFFAOYSA-N 1 3 310.873 2.193 20 0 DEADHO CN1CCC[C@H](CNC(=O)C[C@H]2CC[NH2+]C2)[C@@H]1c1cccs1 ZINC000249588063 402635637 /nfs/dbraw/zinc/63/56/37/402635637.db2.gz UOCLJPSDKIMXLX-CKEIUWERSA-N 1 3 321.490 2.247 20 0 DEADHO CCN1CCN(CCCC[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000181492968 402647089 /nfs/dbraw/zinc/64/70/89/402647089.db2.gz SSNHCAGVUOMSDG-KURKYZTESA-N 1 3 323.525 2.197 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000173652871 402706621 /nfs/dbraw/zinc/70/66/21/402706621.db2.gz YHIGACFGNYYXDW-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1ccccc1CN1CCC(NC(=O)[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000192093919 402710793 /nfs/dbraw/zinc/71/07/93/402710793.db2.gz IYFQRECHNTWNAI-LSDHHAIUSA-N 1 3 303.450 2.059 20 0 DEADHO Cc1ccccc1CN1CCC(NC(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000192093930 402710922 /nfs/dbraw/zinc/71/09/22/402710922.db2.gz IYFQRECHNTWNAI-GJZGRUSLSA-N 1 3 303.450 2.059 20 0 DEADHO C[C@@H](C(=O)NCC1CCN(Cc2cccs2)CC1)[C@H](C)[NH3+] ZINC000192103253 402711024 /nfs/dbraw/zinc/71/10/24/402711024.db2.gz JLUCBXHELLHZPW-OLZOCXBDSA-N 1 3 309.479 2.060 20 0 DEADHO C[C@@H](C(=O)Nc1ccc(CCN2CCSCC2)cc1)[C@H](C)[NH3+] ZINC000192105567 402711552 /nfs/dbraw/zinc/71/15/52/402711552.db2.gz BIZVOETUDDIZDB-KGLIPLIRSA-N 1 3 321.490 2.200 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)C1 ZINC000253545720 402667838 /nfs/dbraw/zinc/66/78/38/402667838.db2.gz BKXDQKRXAOHURS-QAETUUGQSA-N 1 3 309.498 2.438 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)C1 ZINC000253545720 402667841 /nfs/dbraw/zinc/66/78/41/402667841.db2.gz BKXDQKRXAOHURS-QAETUUGQSA-N 1 3 309.498 2.438 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)c2oc3ccccc3c2CN(C)C)CC[NH2+]1 ZINC000262991255 402740144 /nfs/dbraw/zinc/74/01/44/402740144.db2.gz ZXIPIDYCVYHDEY-CHWSQXEVSA-N 1 3 315.417 2.365 20 0 DEADHO COCCC[NH+]1CCC(N[C@@H](C)CC(=O)OC(C)(C)C)CC1 ZINC000183775385 402796444 /nfs/dbraw/zinc/79/64/44/402796444.db2.gz QDOWYTNXUGBIDL-AWEZNQCLSA-N 1 3 314.470 2.197 20 0 DEADHO C[C@@H](C(=O)NC1CC[NH+](CC2CC2)CC1)N1CCCCCC1 ZINC000175546919 402816188 /nfs/dbraw/zinc/81/61/88/402816188.db2.gz LRSOKLFBEIZBAG-HNNXBMFYSA-N 1 3 307.482 2.242 20 0 DEADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000175565810 402817836 /nfs/dbraw/zinc/81/78/36/402817836.db2.gz UVAKUMJCJIPQOM-HOTGVXAUSA-N 1 3 324.513 2.423 20 0 DEADHO CO[C@@H](c1ccccc1)[C@H](C)NCCC[NH+]1CCC(O)CC1 ZINC000279826017 402962223 /nfs/dbraw/zinc/96/22/23/402962223.db2.gz YNMGPQJOPSGWRS-MAUKXSAKSA-N 1 3 306.450 2.199 20 0 DEADHO CC(C)NC(=O)CC[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272374706 402929302 /nfs/dbraw/zinc/92/93/02/402929302.db2.gz BBHBAVRJYMXRBR-WMZOPIPTSA-N 1 3 317.477 2.401 20 0 DEADHO CC(C)NC(=O)CCN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272374706 402929304 /nfs/dbraw/zinc/92/93/04/402929304.db2.gz BBHBAVRJYMXRBR-WMZOPIPTSA-N 1 3 317.477 2.401 20 0 DEADHO CC(C)NC(=O)CCN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272374706 402929307 /nfs/dbraw/zinc/92/93/07/402929307.db2.gz BBHBAVRJYMXRBR-WMZOPIPTSA-N 1 3 317.477 2.401 20 0 DEADHO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CCCCN(C)C)cc1 ZINC000273593446 403018080 /nfs/dbraw/zinc/01/80/80/403018080.db2.gz PXXFBVLYSUGKOT-HNNXBMFYSA-N 1 3 312.479 2.089 20 0 DEADHO CCCCOc1ccccc1CNCC1(O)CC[NH+](C)CC1 ZINC000274332670 403045518 /nfs/dbraw/zinc/04/55/18/403045518.db2.gz WRRZILFGHUJKPV-UHFFFAOYSA-N 1 3 306.450 2.412 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CN(CCCF)CC1(C)C)[NH+](CC)CC ZINC001422785730 1172861539 /nfs/dbraw/zinc/86/15/39/1172861539.db2.gz LHGCEPFCNJBOHH-GJZGRUSLSA-N 1 3 315.477 2.293 20 0 DEADHO C[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)C1CCC1 ZINC000268792970 403114616 /nfs/dbraw/zinc/11/46/16/403114616.db2.gz GYJUNCUKCZBBOM-INIZCTEOSA-N 1 3 302.466 2.372 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000269246000 403124958 /nfs/dbraw/zinc/12/49/58/403124958.db2.gz DMIMMEUDAZPVCW-NJAFHUGGSA-N 1 3 315.461 2.013 20 0 DEADHO CC[C@H](N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000269263066 403125569 /nfs/dbraw/zinc/12/55/69/403125569.db2.gz NYNVFRMFDIYVBX-BBRMVZONSA-N 1 3 305.422 2.083 20 0 DEADHO CC[C@H](N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000269263066 403125570 /nfs/dbraw/zinc/12/55/70/403125570.db2.gz NYNVFRMFDIYVBX-BBRMVZONSA-N 1 3 305.422 2.083 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000269266460 403125998 /nfs/dbraw/zinc/12/59/98/403125998.db2.gz PPDCNNDTASJOTD-DDBAPUKQSA-N 1 3 315.461 2.141 20 0 DEADHO CN(C)Cc1ccc(C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000566737128 292264972 /nfs/dbraw/zinc/26/49/72/292264972.db2.gz YJSMFWFODORNCT-KRWDZBQOSA-N 1 3 303.450 2.386 20 0 DEADHO COCCC[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(F)cc1 ZINC000282344817 403145033 /nfs/dbraw/zinc/14/50/33/403145033.db2.gz OXZMHTKAEPBWDK-KRWDZBQOSA-N 1 3 324.440 2.340 20 0 DEADHO COCCC[NH+]1CCC(N[C@@H](C)c2cccc(CO)c2)CC1 ZINC000270519269 403197893 /nfs/dbraw/zinc/19/78/93/403197893.db2.gz RDJQPSNYUAEDPE-HNNXBMFYSA-N 1 3 306.450 2.330 20 0 DEADHO C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000284152474 403249809 /nfs/dbraw/zinc/24/98/09/403249809.db2.gz VUPOQWCVVRYPKL-KBXCAEBGSA-N 1 3 304.434 2.427 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H]2CCC[NH2+][C@H]2C)N(C)C)cc1 ZINC000342765962 403341641 /nfs/dbraw/zinc/34/16/41/403341641.db2.gz REXWBUIFFRTXGZ-XIRDDKMYSA-N 1 3 303.450 2.102 20 0 DEADHO C[C@@H](CNC(=O)NCCN1CCC(C)CC1)C[NH+]1CCCCC1 ZINC000339740069 403436009 /nfs/dbraw/zinc/43/60/09/403436009.db2.gz GKYUBEHHHAGFHF-KRWDZBQOSA-N 1 3 324.513 2.140 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H](C)CN(C)C)cc1 ZINC000293879621 403588914 /nfs/dbraw/zinc/58/89/14/403588914.db2.gz YQAMRZMCKJWHLJ-KBPBESRZSA-N 1 3 307.438 2.200 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)NC[C@H](C)C[NH+](C)C)cc1 ZINC000293879621 403588919 /nfs/dbraw/zinc/58/89/19/403588919.db2.gz YQAMRZMCKJWHLJ-KBPBESRZSA-N 1 3 307.438 2.200 20 0 DEADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3cc(-n4ccnc4)cs3)C[C@@H]21 ZINC000346851830 403605131 /nfs/dbraw/zinc/60/51/31/403605131.db2.gz RDDYQNNYDOYASO-VBNZEHGJSA-N 1 3 302.447 2.493 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000343448439 403594512 /nfs/dbraw/zinc/59/45/12/403594512.db2.gz OKWQWILNLWRKKX-KBXCAEBGSA-N 1 3 320.456 2.287 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000346691057 403598314 /nfs/dbraw/zinc/59/83/14/403598314.db2.gz UYANBDBXKGPIEG-IYBDPMFKSA-N 1 3 307.482 2.336 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000346691057 403598316 /nfs/dbraw/zinc/59/83/16/403598316.db2.gz UYANBDBXKGPIEG-IYBDPMFKSA-N 1 3 307.482 2.336 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)CCN1C ZINC000347213645 403624727 /nfs/dbraw/zinc/62/47/27/403624727.db2.gz KKVYRPDQOMSYQG-NVXWUHKLSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H]1[C@H](NC(=O)NCc2ccc(C[NH+](C)C)cc2)CCCN1C ZINC000343588911 403652604 /nfs/dbraw/zinc/65/26/04/403652604.db2.gz GKLKMWNGYRXHSZ-WMLDXEAASA-N 1 3 318.465 2.030 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NCc2ccc(C[NH+](C)C)cc2)CCCN1C ZINC000343588907 403653000 /nfs/dbraw/zinc/65/30/00/403653000.db2.gz GKLKMWNGYRXHSZ-PBHICJAKSA-N 1 3 318.465 2.030 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000340815331 403662599 /nfs/dbraw/zinc/66/25/99/403662599.db2.gz GQWNUJZZOBNOFV-IXDOHACOSA-N 1 3 307.482 2.335 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000340815331 403662602 /nfs/dbraw/zinc/66/26/02/403662602.db2.gz GQWNUJZZOBNOFV-IXDOHACOSA-N 1 3 307.482 2.335 20 0 DEADHO CCc1ncc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)s1 ZINC000333204526 403694000 /nfs/dbraw/zinc/69/40/00/403694000.db2.gz YRNDNFZKDSQGPA-ZFWWWQNUSA-N 1 3 309.479 2.424 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CCCN1C ZINC000343752973 403719707 /nfs/dbraw/zinc/71/97/07/403719707.db2.gz HQVFYGUTJHIBJW-ILXRZTDVSA-N 1 3 312.502 2.135 20 0 DEADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCN1CCC(C)CC1 ZINC000302990147 403744723 /nfs/dbraw/zinc/74/47/23/403744723.db2.gz LDPONCYRNSOHNS-IAGOWNOFSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCN1CCC(C)CC1 ZINC000302990147 403744725 /nfs/dbraw/zinc/74/47/25/403744725.db2.gz LDPONCYRNSOHNS-IAGOWNOFSA-N 1 3 324.513 2.138 20 0 DEADHO CCC[NH+](CCC)CCCC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000343821390 403746497 /nfs/dbraw/zinc/74/64/97/403746497.db2.gz GALMUALZQSIABM-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](CNC(=O)NCCN1CCC(C)CC1)[NH+]1CCC(C)CC1 ZINC000303082863 403746944 /nfs/dbraw/zinc/74/69/44/403746944.db2.gz WHILDMSEXFCOIG-KRWDZBQOSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CCN1C ZINC000341183510 403811351 /nfs/dbraw/zinc/81/13/51/403811351.db2.gz AGVYFJXQCVXZQL-BRWVUGGUSA-N 1 3 322.497 2.129 20 0 DEADHO CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000341195757 403821337 /nfs/dbraw/zinc/82/13/37/403821337.db2.gz IETRWDUDOJTMJA-DOTOQJQBSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343990682 403830857 /nfs/dbraw/zinc/83/08/57/403830857.db2.gz URIUDOYNZDMDFQ-SOLBZPMBSA-N 1 3 302.466 2.100 20 0 DEADHO C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343990682 403830862 /nfs/dbraw/zinc/83/08/62/403830862.db2.gz URIUDOYNZDMDFQ-SOLBZPMBSA-N 1 3 302.466 2.100 20 0 DEADHO C[C@@H](CNC(=O)N(C)CCC[NH+]1CCCC1)N1CCC[C@@H](C)C1 ZINC000347637141 403786448 /nfs/dbraw/zinc/78/64/48/403786448.db2.gz RSHFASNOOPNZOM-SJORKVTESA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H](CNC(=O)N(C)CCC[NH+]1CCCC1)N1CCCC[C@@H]1C ZINC000347640429 403787759 /nfs/dbraw/zinc/78/77/59/403787759.db2.gz XWEDNMGCTZGEPV-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H](CNC(=O)c1ccc2c(c1)CNC2)[N@@H+]1CCCC[C@H]1C ZINC000347672990 403800047 /nfs/dbraw/zinc/80/00/47/403800047.db2.gz PZIJKHQHRAEYIM-ZIAGYGMSSA-N 1 3 301.434 2.283 20 0 DEADHO C[C@H](CNC(=O)c1ccc2c(c1)CNC2)[N@H+]1CCCC[C@H]1C ZINC000347672990 403800050 /nfs/dbraw/zinc/80/00/50/403800050.db2.gz PZIJKHQHRAEYIM-ZIAGYGMSSA-N 1 3 301.434 2.283 20 0 DEADHO CN(CCCN(C)Cc1nc2ccc(F)cc2o1)CC[NH+](C)C ZINC000344032179 403860988 /nfs/dbraw/zinc/86/09/88/403860988.db2.gz POYWLJRCAPCQIB-UHFFFAOYSA-N 1 3 322.428 2.282 20 0 DEADHO C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1cccc(OCCN(C)C)c1 ZINC000305178055 403863743 /nfs/dbraw/zinc/86/37/43/403863743.db2.gz VQTSAWVOBYWUMZ-YOEHRIQHSA-N 1 3 324.490 2.146 20 0 DEADHO Cc1ccncc1CCCNC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000347788613 403870316 /nfs/dbraw/zinc/87/03/16/403870316.db2.gz DEFYYOGCHGFJQE-SFHVURJKSA-N 1 3 305.466 2.005 20 0 DEADHO C[C@H](CO)N(Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@H](C)O ZINC000411613095 403911290 /nfs/dbraw/zinc/91/12/90/403911290.db2.gz JBIABWOTIPWGQD-SJORKVTESA-N 1 3 320.477 2.236 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000341472714 403986840 /nfs/dbraw/zinc/98/68/40/403986840.db2.gz WGOWZJNAKMMNQY-VYDXJSESSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000341472714 403986850 /nfs/dbraw/zinc/98/68/50/403986850.db2.gz WGOWZJNAKMMNQY-VYDXJSESSA-N 1 3 322.497 2.033 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000349120961 404124110 /nfs/dbraw/zinc/12/41/10/404124110.db2.gz UVKWTDNRUAZMRL-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CN(C)Cc1cccc(CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000296174913 404127712 /nfs/dbraw/zinc/12/77/12/404127712.db2.gz XLBHKGXMZCJFII-SJORKVTESA-N 1 3 303.450 2.272 20 0 DEADHO CSC1(C[NH2+]Cc2ccccc2CN2CC[C@H](O)C2)CC1 ZINC000290376080 404143906 /nfs/dbraw/zinc/14/39/06/404143906.db2.gz NPKPOCJVTCMKGZ-INIZCTEOSA-N 1 3 306.475 2.238 20 0 DEADHO CSC1(C[NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)CC1 ZINC000290376090 404144416 /nfs/dbraw/zinc/14/44/16/404144416.db2.gz NPKPOCJVTCMKGZ-MRXNPFEDSA-N 1 3 306.475 2.238 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000369611069 404163239 /nfs/dbraw/zinc/16/32/39/404163239.db2.gz CVINZWIQHXUPED-SJORKVTESA-N 1 3 322.497 2.131 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000369611069 404163247 /nfs/dbraw/zinc/16/32/47/404163247.db2.gz CVINZWIQHXUPED-SJORKVTESA-N 1 3 322.497 2.131 20 0 DEADHO CC[N@H+](C)CCNC(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000352168473 404188204 /nfs/dbraw/zinc/18/82/04/404188204.db2.gz VMXJRHWUHWIHQK-NVXWUHKLSA-N 1 3 320.481 2.237 20 0 DEADHO CC[N@@H+](C)CCNC(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000352168473 404188211 /nfs/dbraw/zinc/18/82/11/404188211.db2.gz VMXJRHWUHWIHQK-NVXWUHKLSA-N 1 3 320.481 2.237 20 0 DEADHO CC(C)[NH+]1CCC(O)(CNCc2c[nH]nc2C(C)(C)C)CC1 ZINC000344638981 404278316 /nfs/dbraw/zinc/27/83/16/404278316.db2.gz JYLXENVYMNFHNG-UHFFFAOYSA-N 1 3 308.470 2.032 20 0 DEADHO CCN(CCNC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)C1CC1 ZINC000338466929 404371068 /nfs/dbraw/zinc/37/10/68/404371068.db2.gz VUCOVORBOSMYAP-QAPCUYQASA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H]1C[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CCN1C ZINC000338575204 404412613 /nfs/dbraw/zinc/41/26/13/404412613.db2.gz YMHNNHKIEMXQRA-MAUKXSAKSA-N 1 3 315.461 2.495 20 0 DEADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCCN(CC2CCC2)CC1 ZINC000351027001 404505109 /nfs/dbraw/zinc/50/51/09/404505109.db2.gz HXDIKBQLYYUEBQ-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCCN(CC2CCC2)CC1 ZINC000351027000 404505243 /nfs/dbraw/zinc/50/52/43/404505243.db2.gz HXDIKBQLYYUEBQ-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](O)CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000291765162 404511392 /nfs/dbraw/zinc/51/13/92/404511392.db2.gz SBRBSWXOXZUJOY-KRWDZBQOSA-N 1 3 305.466 2.078 20 0 DEADHO CC[C@H](O)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000291765162 404511395 /nfs/dbraw/zinc/51/13/95/404511395.db2.gz SBRBSWXOXZUJOY-KRWDZBQOSA-N 1 3 305.466 2.078 20 0 DEADHO C[C@H](N[C@H]1C=C[C@@H](CO)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000345048726 404517058 /nfs/dbraw/zinc/51/70/58/404517058.db2.gz FFAMVLSOWUCXQW-UXLLHSPISA-N 1 3 304.434 2.215 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)c1ccccc1 ZINC000364561123 404449171 /nfs/dbraw/zinc/44/91/71/404449171.db2.gz MYGYCBMXJRAIKL-YQVWRLOYSA-N 1 3 315.461 2.185 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000371415772 404460242 /nfs/dbraw/zinc/46/02/42/404460242.db2.gz GKGWQXFCOVCQID-INIZCTEOSA-N 1 3 322.497 2.131 20 0 DEADHO CCCC[N@H+](C)CC1CCN(C(=O)NCCN(C)C2CC2)CC1 ZINC000352739965 404586151 /nfs/dbraw/zinc/58/61/51/404586151.db2.gz QAIUONWXHRHYCN-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO CCCC[N@@H+](C)CC1CCN(C(=O)NCCN(C)C2CC2)CC1 ZINC000352739965 404586157 /nfs/dbraw/zinc/58/61/57/404586157.db2.gz QAIUONWXHRHYCN-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO CC(C)[C@H]1CCC[C@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414200933 404547062 /nfs/dbraw/zinc/54/70/62/404547062.db2.gz SAOHOKBESNFBLF-QZTJIDSGSA-N 1 3 323.525 2.197 20 0 DEADHO CCC[C@H](N)C(=O)N1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000365001001 404552075 /nfs/dbraw/zinc/55/20/75/404552075.db2.gz JRSIADPVDRALJP-FGTMMUONSA-N 1 3 317.477 2.313 20 0 DEADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCN(C)C2CC2)C1 ZINC000352729887 404579558 /nfs/dbraw/zinc/57/95/58/404579558.db2.gz DCNXJETWRZVWEM-HNNXBMFYSA-N 1 3 324.513 2.280 20 0 DEADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCN(C)C2CC2)C1 ZINC000352729887 404579559 /nfs/dbraw/zinc/57/95/59/404579559.db2.gz DCNXJETWRZVWEM-HNNXBMFYSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)[C@@H](N)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000292043645 404641667 /nfs/dbraw/zinc/64/16/67/404641667.db2.gz IKMRZSRACLELKB-CGTJXYLNSA-N 1 3 317.477 2.481 20 0 DEADHO CC(C)[C@@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000292043645 404641671 /nfs/dbraw/zinc/64/16/71/404641671.db2.gz IKMRZSRACLELKB-CGTJXYLNSA-N 1 3 317.477 2.481 20 0 DEADHO CN(C)[C@H]1CCC[N@H+](C[C@@H](O)COCc2cccs2)CC1 ZINC000365406141 404649923 /nfs/dbraw/zinc/64/99/23/404649923.db2.gz VVGMOLMXPVXYAK-LSDHHAIUSA-N 1 3 312.479 2.042 20 0 DEADHO CN(C)[C@H]1CCC[N@@H+](C[C@@H](O)COCc2cccs2)CC1 ZINC000365406141 404649932 /nfs/dbraw/zinc/64/99/32/404649932.db2.gz VVGMOLMXPVXYAK-LSDHHAIUSA-N 1 3 312.479 2.042 20 0 DEADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]Cc2ccc3occc3c2)C1 ZINC000352761540 404600871 /nfs/dbraw/zinc/60/08/71/404600871.db2.gz YANWKXCWOYAQBV-MRXNPFEDSA-N 1 3 315.417 2.110 20 0 DEADHO CN1CCCC[C@H]1CC[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000351597635 404663573 /nfs/dbraw/zinc/66/35/73/404663573.db2.gz QSMWTGSGRLHWRG-HOTGVXAUSA-N 1 3 317.481 2.278 20 0 DEADHO CN1CCCC[C@H]1CC[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000351597635 404663576 /nfs/dbraw/zinc/66/35/76/404663576.db2.gz QSMWTGSGRLHWRG-HOTGVXAUSA-N 1 3 317.481 2.278 20 0 DEADHO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCCC3(CC[NH+](C)CC3)C2)C1 ZINC000374074579 404686380 /nfs/dbraw/zinc/68/63/80/404686380.db2.gz LUXIREJUWZGRBG-IAGOWNOFSA-N 1 3 321.509 2.299 20 0 DEADHO COc1cc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc(OC)c1O ZINC000414788502 404736109 /nfs/dbraw/zinc/73/61/09/404736109.db2.gz WRMSZZUFRSDVIR-GJZGRUSLSA-N 1 3 320.433 2.231 20 0 DEADHO Fc1ccc(CCN2CCC([NH2+][C@H]3CCCNC3)CC2)cc1 ZINC000414872233 404753951 /nfs/dbraw/zinc/75/39/51/404753951.db2.gz WGDMUUDWNVYBFR-SFHVURJKSA-N 1 3 305.441 2.174 20 0 DEADHO c1ccc(Oc2cccc(CNCCN3CC[NH2+]CC3)c2)cc1 ZINC000414872704 404754016 /nfs/dbraw/zinc/75/40/16/404754016.db2.gz WUUNDVMIGUATQG-UHFFFAOYSA-N 1 3 311.429 2.474 20 0 DEADHO Cc1csc(N2CCC([NH2+]C[C@@]3(C)CCCNC3)CC2)n1 ZINC000414902392 404762285 /nfs/dbraw/zinc/76/22/85/404762285.db2.gz HGVAYRISUOMWNS-INIZCTEOSA-N 1 3 308.495 2.400 20 0 DEADHO CCN1CCN(c2ccccc2CNCC[C@H]2CCC[NH2+]2)CC1 ZINC000414905207 404762982 /nfs/dbraw/zinc/76/29/82/404762982.db2.gz NFZMLMSEQVTRAG-GOSISDBHSA-N 1 3 316.493 2.060 20 0 DEADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC2(C1)CC[NH2+]CC2 ZINC000358507100 404765284 /nfs/dbraw/zinc/76/52/84/404765284.db2.gz NCCZCENQCJFRRV-JKSUJKDBSA-N 1 3 307.482 2.242 20 0 DEADHO CCN(CC(=O)NCc1ccc(F)cc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414728243 404718412 /nfs/dbraw/zinc/71/84/12/404718412.db2.gz CLIHZHMXXOBZRV-GDBMZVCRSA-N 1 3 321.440 2.152 20 0 DEADHO C[C@H]1C[C@@H](CN2CCN(C(=O)C(C)(C)C)CC2(C)C)CC[NH2+]1 ZINC000414731948 404718954 /nfs/dbraw/zinc/71/89/54/404718954.db2.gz CFZHHKBCGUOTKK-GJZGRUSLSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1C[C@@H](CN2CCN(C(=O)C(C)(C)C)CC2(C)C)CC[NH2+]1 ZINC000414731946 404719352 /nfs/dbraw/zinc/71/93/52/404719352.db2.gz CFZHHKBCGUOTKK-CABCVRRESA-N 1 3 309.498 2.343 20 0 DEADHO Cc1nn(C)c(CNCCC[C@@H]2CCC[NH2+]2)c1Br ZINC000414971525 404778702 /nfs/dbraw/zinc/77/87/02/404778702.db2.gz WHUSXWLYSYIACZ-LLVKDONJSA-N 1 3 315.259 2.113 20 0 DEADHO Cc1cc(F)ccc1CNC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414990774 404782178 /nfs/dbraw/zinc/78/21/78/404782178.db2.gz RTPFICPFVOIILH-CQSZACIVSA-N 1 3 319.346 2.060 20 0 DEADHO CC[C@H]([NH3+])CNC1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000414992447 404783111 /nfs/dbraw/zinc/78/31/11/404783111.db2.gz RPCJJEPVKOMELI-LBPRGKRZSA-N 1 3 309.841 2.272 20 0 DEADHO COc1cc(OC)c(OC)cc1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415000268 404785078 /nfs/dbraw/zinc/78/50/78/404785078.db2.gz APDXRQFPPADNPT-LSDHHAIUSA-N 1 3 320.433 2.190 20 0 DEADHO C[C@@H]1CCC[C@](CNC(=O)N[C@H]2CCN(C3CC3)C2)([NH+](C)C)C1 ZINC000359353106 404791107 /nfs/dbraw/zinc/79/11/07/404791107.db2.gz QAPDPYFRKINVDG-VKJFTORMSA-N 1 3 322.497 2.033 20 0 DEADHO CN(CC(Cc1ccccc1)Cc1ccccc1)C[C@H](O)C[NH3+] ZINC000415066564 404799719 /nfs/dbraw/zinc/79/97/19/404799719.db2.gz JKQADOLRSWPMRK-HXUWFJFHSA-N 1 3 312.457 2.339 20 0 DEADHO O=C1[C@H](NCC2CC[NH2+]CC2)CCN1c1ccccc1Cl ZINC000415077035 404801860 /nfs/dbraw/zinc/80/18/60/404801860.db2.gz DRAXVAOTDMCDJA-CQSZACIVSA-N 1 3 307.825 2.035 20 0 DEADHO COc1ccccc1N1CCC([NH2+]C[C@H]2CCCNC2)CC1 ZINC000415088972 404804869 /nfs/dbraw/zinc/80/48/69/404804869.db2.gz VYCMAMQNVFIUKT-HNNXBMFYSA-N 1 3 303.450 2.253 20 0 DEADHO Cc1ccc(C[C@H](CO)N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000415108306 404809744 /nfs/dbraw/zinc/80/97/44/404809744.db2.gz PVLLNVCXOGJMHY-YDZRNGNQSA-N 1 3 302.462 2.409 20 0 DEADHO C[C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1CCCCCC1 ZINC000360137672 404819676 /nfs/dbraw/zinc/81/96/76/404819676.db2.gz WAHYRMYKAZOEFB-IRXDYDNUSA-N 1 3 307.482 2.338 20 0 DEADHO COC[C@]1(C[NH2+][C@H](C)CCc2n[nH]c3ccccc32)CCCN1 ZINC000414948214 404773832 /nfs/dbraw/zinc/77/38/32/404773832.db2.gz WVPAFPATXKSVLS-RDTXWAMCSA-N 1 3 316.449 2.242 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000434442074 404896702 /nfs/dbraw/zinc/89/67/02/404896702.db2.gz LVYWQBYPPNHWSL-KRWDZBQOSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H]([NH2+]C[C@H](CO)C1CC1)c1cccc(OCCN(C)C)c1 ZINC000353489902 404845501 /nfs/dbraw/zinc/84/55/01/404845501.db2.gz QESVALDFMBXWCF-WMLDXEAASA-N 1 3 306.450 2.296 20 0 DEADHO CC(C)CN1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000353499922 404848605 /nfs/dbraw/zinc/84/86/05/404848605.db2.gz FCGVZJIDJDNJLM-UHFFFAOYSA-N 1 3 305.466 2.405 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000416897727 404954923 /nfs/dbraw/zinc/95/49/23/404954923.db2.gz XWSAVLNBTDEFAI-IAGOWNOFSA-N 1 3 318.465 2.065 20 0 DEADHO C[C@H]1CN(C)CC[C@H]1[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000361174198 404958421 /nfs/dbraw/zinc/95/84/21/404958421.db2.gz UTARDVHHINNXJJ-QFBILLFUSA-N 1 3 319.493 2.099 20 0 DEADHO CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000415921844 404972762 /nfs/dbraw/zinc/97/27/62/404972762.db2.gz RKKQMZWPOIQVJH-RHSMWYFYSA-N 1 3 316.449 2.354 20 0 DEADHO CCN(Cc1ccc(C(=O)N(C)CCC[NH2+]C)cc1)C1CC1 ZINC000424017967 404972498 /nfs/dbraw/zinc/97/24/98/404972498.db2.gz HVNYQAKFZKEVMC-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000416940282 404969737 /nfs/dbraw/zinc/96/97/37/404969737.db2.gz OTGZOCOYZPPVMJ-KRWDZBQOSA-N 1 3 318.465 2.106 20 0 DEADHO C[C@@H](CCCC[NH3+])NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000416804445 404917795 /nfs/dbraw/zinc/91/77/95/404917795.db2.gz JZVALWQXHVSNLW-HOCLYGCPSA-N 1 3 306.454 2.106 20 0 DEADHO CC(C)(CNC(=O)NCCC[C@H]1CCC[NH2+]1)N1CCCCC1 ZINC000416822856 404924166 /nfs/dbraw/zinc/92/41/66/404924166.db2.gz GGLAOLFSDLVOHS-OAHLLOKOSA-N 1 3 310.486 2.082 20 0 DEADHO CC(C)(CNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1)N1CCCCC1 ZINC000416837535 404928942 /nfs/dbraw/zinc/92/89/42/404928942.db2.gz XHKPOXOUPSCRII-GJZGRUSLSA-N 1 3 310.486 2.068 20 0 DEADHO CC(C)(CNC(=O)N1CCC[C@@H](CC[NH3+])C1)N1CCCCC1 ZINC000416836910 404929753 /nfs/dbraw/zinc/92/97/53/404929753.db2.gz WLSMOPWTKCCJMI-HNNXBMFYSA-N 1 3 310.486 2.021 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@H](C)C[NH3+])c1ccccc1 ZINC000416840296 404931036 /nfs/dbraw/zinc/93/10/36/404931036.db2.gz LABNPYDNOIFXRH-ZBFHGGJFSA-N 1 3 306.454 2.058 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)N1CCCNCC1)c1ccccc1 ZINC000416846858 404932588 /nfs/dbraw/zinc/93/25/88/404932588.db2.gz UTARFMXFSLKAMU-KRWDZBQOSA-N 1 3 318.465 2.074 20 0 DEADHO CC[NH2+][C@H](C)CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000417015221 405001460 /nfs/dbraw/zinc/00/14/60/405001460.db2.gz FFEVKJSVNIDJPY-WBVHZDCISA-N 1 3 318.465 2.121 20 0 DEADHO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000451504983 405008853 /nfs/dbraw/zinc/00/88/53/405008853.db2.gz UCXJXWUJURBVHG-GVDBMIGSSA-N 1 3 311.514 2.052 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2C[C@H](C)NC[C@@H]2C)C1 ZINC000417042588 405015586 /nfs/dbraw/zinc/01/55/86/405015586.db2.gz LRUBAGIKBYKNIR-YVSFHVDLSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2C[C@H](C)NC[C@@H]2C)C1 ZINC000417042588 405015592 /nfs/dbraw/zinc/01/55/92/405015592.db2.gz LRUBAGIKBYKNIR-YVSFHVDLSA-N 1 3 324.513 2.136 20 0 DEADHO CC[NH+]1CCN(c2ccccc2CN2CC[C@H]2COC)CC1 ZINC000354057732 405023297 /nfs/dbraw/zinc/02/32/97/405023297.db2.gz ZHCFJELHZWTKHK-KRWDZBQOSA-N 1 3 303.450 2.049 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@H]2COC)CC1 ZINC000354057732 405023302 /nfs/dbraw/zinc/02/33/02/405023302.db2.gz ZHCFJELHZWTKHK-KRWDZBQOSA-N 1 3 303.450 2.049 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@H]2COC)CC1 ZINC000354057732 405023306 /nfs/dbraw/zinc/02/33/06/405023306.db2.gz ZHCFJELHZWTKHK-KRWDZBQOSA-N 1 3 303.450 2.049 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000379660715 405027457 /nfs/dbraw/zinc/02/74/57/405027457.db2.gz CTWLGSUDULWYBJ-JQHSSLGASA-N 1 3 317.477 2.387 20 0 DEADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000568288821 292330014 /nfs/dbraw/zinc/33/00/14/292330014.db2.gz KUFWPGKHGJYFPD-JKSUJKDBSA-N 1 3 312.502 2.122 20 0 DEADHO C[NH2+][C@@H]1CCN(Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000435375882 404976016 /nfs/dbraw/zinc/97/60/16/404976016.db2.gz OODFQBYXHOKTNT-QGZVFWFLSA-N 1 3 316.493 2.011 20 0 DEADHO C[C@@H](CNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1)[NH+](C)C ZINC000415968360 404987444 /nfs/dbraw/zinc/98/74/44/404987444.db2.gz ITVBVEPCJNPJDM-VIFPVBQESA-N 1 3 318.343 2.236 20 0 DEADHO C[C@@H](CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)N(C)C ZINC000415968360 404987447 /nfs/dbraw/zinc/98/74/47/404987447.db2.gz ITVBVEPCJNPJDM-VIFPVBQESA-N 1 3 318.343 2.236 20 0 DEADHO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415970961 404989013 /nfs/dbraw/zinc/98/90/13/404989013.db2.gz IXYYHXXKWOUWJD-ZDUSSCGKSA-N 1 3 320.437 2.020 20 0 DEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415970961 404989018 /nfs/dbraw/zinc/98/90/18/404989018.db2.gz IXYYHXXKWOUWJD-ZDUSSCGKSA-N 1 3 320.437 2.020 20 0 DEADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CCC[NH2+]1)c1ccsc1 ZINC000417007449 404997630 /nfs/dbraw/zinc/99/76/30/404997630.db2.gz KVCDUHBXEHQJEB-HUUCEWRRSA-N 1 3 324.494 2.182 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)NCC(C)(C)[NH3+])c1ccsc1 ZINC000417012183 405000502 /nfs/dbraw/zinc/00/05/02/405000502.db2.gz WBXAGVHAVQZJPS-ZDUSSCGKSA-N 1 3 312.483 2.168 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000389978543 405043572 /nfs/dbraw/zinc/04/35/72/405043572.db2.gz HCSBEGIGOCQTNU-MAUKXSAKSA-N 1 3 315.461 2.013 20 0 DEADHO Cc1cc(CN)cc(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)c1 ZINC000424246987 405047366 /nfs/dbraw/zinc/04/73/66/405047366.db2.gz TXZBXMFVZDRJCT-UHFFFAOYSA-N 1 3 309.413 2.394 20 0 DEADHO CC(C)CN(C(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)C1CC1 ZINC000424291388 405059837 /nfs/dbraw/zinc/05/98/37/405059837.db2.gz NTBABLSPLPNDPA-OAHLLOKOSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1CC2(CN1CC(=O)N(C)c1ccccc1)CC[NH2+]CC2 ZINC000424296579 405061617 /nfs/dbraw/zinc/06/16/17/405061617.db2.gz RYYHTEDCJKPKNL-HNNXBMFYSA-N 1 3 301.434 2.113 20 0 DEADHO COc1ccc(NC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424302519 405062884 /nfs/dbraw/zinc/06/28/84/405062884.db2.gz ZTDIHEZKILPKFC-AWEZNQCLSA-N 1 3 317.433 2.098 20 0 DEADHO [NH3+]C[C@H](CN1CCC[C@@H](c2ncc[nH]2)C1)c1ccc(F)cc1 ZINC000424302692 405063405 /nfs/dbraw/zinc/06/34/05/405063405.db2.gz MKWCQMDRIIHMOW-HUUCEWRRSA-N 1 3 302.397 2.471 20 0 DEADHO NC[C@H](C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1)c1ccc(F)cc1 ZINC000424302692 405063409 /nfs/dbraw/zinc/06/34/09/405063409.db2.gz MKWCQMDRIIHMOW-HUUCEWRRSA-N 1 3 302.397 2.471 20 0 DEADHO NC[C@H](C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1)c1ccc(F)cc1 ZINC000424302692 405063412 /nfs/dbraw/zinc/06/34/12/405063412.db2.gz MKWCQMDRIIHMOW-HUUCEWRRSA-N 1 3 302.397 2.471 20 0 DEADHO CCOC[C@@H]1CCC[C@H]1[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000354186317 405087468 /nfs/dbraw/zinc/08/74/68/405087468.db2.gz FOSOWVJENXWCFG-QFBILLFUSA-N 1 3 323.525 2.340 20 0 DEADHO Cc1cc(C[NH3+])cc(NC(=O)N2CCCN(C(C)C)CC2)c1 ZINC000424430359 405093083 /nfs/dbraw/zinc/09/30/83/405093083.db2.gz BOMHDDDDWCWJEI-UHFFFAOYSA-N 1 3 304.438 2.402 20 0 DEADHO CC(C)C[C@@H](C[NH3+])NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000417982747 405107928 /nfs/dbraw/zinc/10/79/28/405107928.db2.gz NMPCOKHFZZGNHL-WBVHZDCISA-N 1 3 320.481 2.180 20 0 DEADHO C[C@H](NC(=O)N(C)CC(C)(C)C[NH3+])[C@H](c1ccccc1)N(C)C ZINC000418161629 405114157 /nfs/dbraw/zinc/11/41/57/405114157.db2.gz CCJPUBCRAHZGOB-GOEBONIOSA-N 1 3 320.481 2.304 20 0 DEADHO C[C@@H](CCC[NH3+])NC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000418169078 405114907 /nfs/dbraw/zinc/11/49/07/405114907.db2.gz MDTUZJCQPNXDMK-INIZCTEOSA-N 1 3 324.513 2.459 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418241437 405119134 /nfs/dbraw/zinc/11/91/34/405119134.db2.gz TTYSXZFHIYHESJ-PMPSAXMXSA-N 1 3 310.486 2.066 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418651296 405150874 /nfs/dbraw/zinc/15/08/74/405150874.db2.gz LMSHZNHYHXRZTE-JLJPHGGASA-N 1 3 318.465 2.066 20 0 DEADHO CCN1CCCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000418662400 405157170 /nfs/dbraw/zinc/15/71/70/405157170.db2.gz SXSBEEPNUMLWDR-KRWDZBQOSA-N 1 3 318.465 2.204 20 0 DEADHO c1csc(N2CCC(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)n1 ZINC000367919290 405192158 /nfs/dbraw/zinc/19/21/58/405192158.db2.gz WSAQDIGTSHHQMV-LSDHHAIUSA-N 1 3 306.479 2.328 20 0 DEADHO c1csc(N2CCC(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)n1 ZINC000367919290 405192161 /nfs/dbraw/zinc/19/21/61/405192161.db2.gz WSAQDIGTSHHQMV-LSDHHAIUSA-N 1 3 306.479 2.328 20 0 DEADHO c1csc(N2CCC([NH2+][C@H]3CCN4CCC[C@@H]4C3)CC2)n1 ZINC000367919290 405192164 /nfs/dbraw/zinc/19/21/64/405192164.db2.gz WSAQDIGTSHHQMV-LSDHHAIUSA-N 1 3 306.479 2.328 20 0 DEADHO C[C@H]1CN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CCN(C2CC2)C1 ZINC000452178314 405202527 /nfs/dbraw/zinc/20/25/27/405202527.db2.gz YYQZXTYMDLEJKB-CVEARBPZSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1CN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CCN(C2CC2)C1 ZINC000452178314 405202531 /nfs/dbraw/zinc/20/25/31/405202531.db2.gz YYQZXTYMDLEJKB-CVEARBPZSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H](CCCC[NH3+])NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000418697275 405171326 /nfs/dbraw/zinc/17/13/26/405171326.db2.gz NBGBGECDPZYADB-MRXNPFEDSA-N 1 3 320.481 2.277 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000418699520 405172650 /nfs/dbraw/zinc/17/26/50/405172650.db2.gz NWGAERTVBWVBCA-CGZBRXJRSA-N 1 3 324.513 2.266 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000438866440 405257071 /nfs/dbraw/zinc/25/70/71/405257071.db2.gz OWCZJICUAFZHDR-RDJZCZTQSA-N 1 3 322.497 2.033 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000438866440 405257074 /nfs/dbraw/zinc/25/70/74/405257074.db2.gz OWCZJICUAFZHDR-RDJZCZTQSA-N 1 3 322.497 2.033 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000439706093 405289465 /nfs/dbraw/zinc/28/94/65/405289465.db2.gz VQPRVHDAALEJKC-YESZJQIVSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000439706093 405289467 /nfs/dbraw/zinc/28/94/67/405289467.db2.gz VQPRVHDAALEJKC-YESZJQIVSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CN1C1CC1 ZINC000440274982 405308248 /nfs/dbraw/zinc/30/82/48/405308248.db2.gz IWSDYRPVTMPJSM-JKIFEVAISA-N 1 3 305.466 2.135 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CN1C1CC1 ZINC000440274982 405308250 /nfs/dbraw/zinc/30/82/50/405308250.db2.gz IWSDYRPVTMPJSM-JKIFEVAISA-N 1 3 305.466 2.135 20 0 DEADHO CCC[N@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)C[C@H]1CCCCO1 ZINC000420298204 405310085 /nfs/dbraw/zinc/31/00/85/405310085.db2.gz GZWWXZGMQJCAMI-QYZOEREBSA-N 1 3 320.477 2.198 20 0 DEADHO CCC[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)C[C@H]1CCCCO1 ZINC000420298204 405310088 /nfs/dbraw/zinc/31/00/88/405310088.db2.gz GZWWXZGMQJCAMI-QYZOEREBSA-N 1 3 320.477 2.198 20 0 DEADHO CCCN(C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C[C@H]1CCCCO1 ZINC000420298204 405310089 /nfs/dbraw/zinc/31/00/89/405310089.db2.gz GZWWXZGMQJCAMI-QYZOEREBSA-N 1 3 320.477 2.198 20 0 DEADHO COCCN(CC[C@@H]1CCC[NH2+]C1)Cc1ccc2c(c1)OCO2 ZINC000420304820 405312045 /nfs/dbraw/zinc/31/20/45/405312045.db2.gz ORLLIGJJHYGKCT-HNNXBMFYSA-N 1 3 320.433 2.253 20 0 DEADHO C[C@@H](C(=O)N1CCc2ccccc2C1)N1CCC[C@H](CC[NH3+])C1 ZINC000420311564 405314412 /nfs/dbraw/zinc/31/44/12/405314412.db2.gz NOQIHQSCNNMODW-JKSUJKDBSA-N 1 3 315.461 2.021 20 0 DEADHO CCc1cccc(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000420319716 405318005 /nfs/dbraw/zinc/31/80/05/405318005.db2.gz YELNYXUMENJMCD-QGZVFWFLSA-N 1 3 303.450 2.069 20 0 DEADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCOc2ccccc2F)CC1 ZINC000420322379 405318418 /nfs/dbraw/zinc/31/84/18/405318418.db2.gz DXBJGWUPQZDBBE-WBVHZDCISA-N 1 3 308.397 2.033 20 0 DEADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N(C1CC1)C1CCCC1 ZINC000420322362 405318691 /nfs/dbraw/zinc/31/86/91/405318691.db2.gz DVDFBXMKIVPSNA-HOTGVXAUSA-N 1 3 319.493 2.242 20 0 DEADHO C[C@H](C(=O)Nc1cccc(F)c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420332154 405322567 /nfs/dbraw/zinc/32/25/67/405322567.db2.gz CRRDHPATLZBEPW-QLFBSQMISA-N 1 3 319.424 2.474 20 0 DEADHO Cc1ccc(NC(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420333021 405323431 /nfs/dbraw/zinc/32/34/31/405323431.db2.gz DWYPUEZDQPMTHM-JKSUJKDBSA-N 1 3 301.434 2.255 20 0 DEADHO CCN(C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)C1CCCCC1 ZINC000420335426 405323893 /nfs/dbraw/zinc/32/38/93/405323893.db2.gz HIOWNQLEMNHOHE-SJORKVTESA-N 1 3 321.509 2.489 20 0 DEADHO [NH3+]C[C@@H]1CN(CCOc2cccc(Cl)c2)CC12CCOCC2 ZINC000420335905 405324083 /nfs/dbraw/zinc/32/40/83/405324083.db2.gz VGLZQIPXAXPKGK-CQSZACIVSA-N 1 3 324.852 2.406 20 0 DEADHO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420343187 405326560 /nfs/dbraw/zinc/32/65/60/405326560.db2.gz RKUJZBKSAOXAMF-MTSZKFMLSA-N 1 3 307.482 2.001 20 0 DEADHO CCN1C[C@H](C)N(C[C@H](C[NH3+])c2ccc(OC)cc2)C[C@@H]1C ZINC000420363075 405332471 /nfs/dbraw/zinc/33/24/71/405332471.db2.gz OXIPIIUYOBICGP-ZOBUZTSGSA-N 1 3 305.466 2.152 20 0 DEADHO COc1ccc([C@H](CN)C[N@H+](C)CCc2nccs2)cc1 ZINC000420382100 405339255 /nfs/dbraw/zinc/33/92/55/405339255.db2.gz YECKILKZQZVIBA-CQSZACIVSA-N 1 3 305.447 2.369 20 0 DEADHO COc1ccc([C@H](CN)C[N@@H+](C)CCc2nccs2)cc1 ZINC000420382100 405339257 /nfs/dbraw/zinc/33/92/57/405339257.db2.gz YECKILKZQZVIBA-CQSZACIVSA-N 1 3 305.447 2.369 20 0 DEADHO c1ccc2nc(CN3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)ccc2c1 ZINC000420390323 405341482 /nfs/dbraw/zinc/34/14/82/405341482.db2.gz QCXIYCCZZSSKMC-MJGOQNOKSA-N 1 3 323.440 2.435 20 0 DEADHO C[NH+](C)C1(CNC(=O)[C@@H]2CCCN2C2CCCC2)CCCC1 ZINC000440104483 405301675 /nfs/dbraw/zinc/30/16/75/405301675.db2.gz LXAJVWLJEKUEBG-INIZCTEOSA-N 1 3 307.482 2.384 20 0 DEADHO C[NH+](C)CCCC1CCN(C(=O)C2CCN(C3CC3)CC2)CC1 ZINC000426916604 405383299 /nfs/dbraw/zinc/38/32/99/405383299.db2.gz OLPLRLZOLLQOPN-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCC([N@@H+]2CCCN([C@H](C)c3cnccn3)CC2)CC1 ZINC000420974029 405418972 /nfs/dbraw/zinc/41/89/72/405418972.db2.gz DCUNCXSMQKWVTA-MRXNPFEDSA-N 1 3 317.481 2.030 20 0 DEADHO CCN1CCC([N@H+]2CCCN([C@H](C)c3cnccn3)CC2)CC1 ZINC000420974029 405418974 /nfs/dbraw/zinc/41/89/74/405418974.db2.gz DCUNCXSMQKWVTA-MRXNPFEDSA-N 1 3 317.481 2.030 20 0 DEADHO CC[NH+]1CCC(N2CCCN([C@H](C)c3cnccn3)CC2)CC1 ZINC000420974029 405418976 /nfs/dbraw/zinc/41/89/76/405418976.db2.gz DCUNCXSMQKWVTA-MRXNPFEDSA-N 1 3 317.481 2.030 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(C)CC[C@@H]2C)C1 ZINC000448468679 405421565 /nfs/dbraw/zinc/42/15/65/405421565.db2.gz VYWOLRKKJXVOKN-DLBZAZTESA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCN(C)CC[C@@H]2C)C1 ZINC000448468679 405421567 /nfs/dbraw/zinc/42/15/67/405421567.db2.gz VYWOLRKKJXVOKN-DLBZAZTESA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H]1C[C@H](NC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)CC[N@@H+]1C ZINC000429436822 405430342 /nfs/dbraw/zinc/43/03/42/405430342.db2.gz YDWYLWFIXKXUIX-PILAGYSTSA-N 1 3 306.425 2.364 20 0 DEADHO C[C@@H]1C[C@H](NC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)CC[N@H+]1C ZINC000429436822 405430345 /nfs/dbraw/zinc/43/03/45/405430345.db2.gz YDWYLWFIXKXUIX-PILAGYSTSA-N 1 3 306.425 2.364 20 0 DEADHO C[C@@H]1C[C@H](NC[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)CC[N@@H+]1C ZINC000429436820 405430367 /nfs/dbraw/zinc/43/03/67/405430367.db2.gz YDWYLWFIXKXUIX-BNEJOLLZSA-N 1 3 306.425 2.364 20 0 DEADHO C[C@@H]1C[C@H](NC[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)CC[N@H+]1C ZINC000429436820 405430371 /nfs/dbraw/zinc/43/03/71/405430371.db2.gz YDWYLWFIXKXUIX-BNEJOLLZSA-N 1 3 306.425 2.364 20 0 DEADHO C[C@H](N[C@@H](CO)CC(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000429461243 405431399 /nfs/dbraw/zinc/43/13/99/405431399.db2.gz IHIWATCLVIJAEV-GXTWGEPZSA-N 1 3 316.392 2.294 20 0 DEADHO C[C@@H](N[C@@H](CO)CC(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000429455970 405431568 /nfs/dbraw/zinc/43/15/68/405431568.db2.gz SLNFIAJZRAYENT-TZMCWYRMSA-N 1 3 316.392 2.294 20 0 DEADHO CN(C)CCN(C)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455949689 405463865 /nfs/dbraw/zinc/46/38/65/405463865.db2.gz YWMBFUOUNJYIBU-INIZCTEOSA-N 1 3 304.438 2.261 20 0 DEADHO CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCC(C[NH3+])CC1 ZINC000430606329 405465697 /nfs/dbraw/zinc/46/56/97/405465697.db2.gz VAAVWDXETABPIX-QGZVFWFLSA-N 1 3 303.450 2.267 20 0 DEADHO COc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2[C@H](C)N)cc1 ZINC000430616477 405467050 /nfs/dbraw/zinc/46/70/50/405467050.db2.gz FQLABNHMMCPLMX-BBRMVZONSA-N 1 3 305.422 2.226 20 0 DEADHO COc1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2[C@H](C)N)cc1 ZINC000430616477 405467054 /nfs/dbraw/zinc/46/70/54/405467054.db2.gz FQLABNHMMCPLMX-BBRMVZONSA-N 1 3 305.422 2.226 20 0 DEADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC000635746988 405470217 /nfs/dbraw/zinc/47/02/17/405470217.db2.gz NTMQFAALGCEBGK-OAHLLOKOSA-N 1 3 307.482 2.051 20 0 DEADHO C[N@@H+]1CCCC12CCN(C(=O)[C@H]1CCN1C1CCCC1)CC2 ZINC000635763238 405483366 /nfs/dbraw/zinc/48/33/66/405483366.db2.gz GHBLODSKLNLJLY-MRXNPFEDSA-N 1 3 305.466 2.090 20 0 DEADHO C[N@H+]1CCCC12CCN(C(=O)[C@H]1CCN1C1CCCC1)CC2 ZINC000635763238 405483373 /nfs/dbraw/zinc/48/33/73/405483373.db2.gz GHBLODSKLNLJLY-MRXNPFEDSA-N 1 3 305.466 2.090 20 0 DEADHO C[C@H](CC[NH2+]C[C@H](O)COc1ccccc1F)N1CCCCC1 ZINC000577723412 405499343 /nfs/dbraw/zinc/49/93/43/405499343.db2.gz XIWAKNUCVGIKDC-CVEARBPZSA-N 1 3 324.440 2.420 20 0 DEADHO CN(C)CC(C)(C)NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000458734812 405563745 /nfs/dbraw/zinc/56/37/45/405563745.db2.gz NBBRXTOUYRYZHQ-INIZCTEOSA-N 1 3 324.513 2.423 20 0 DEADHO CN(C)CC(C)(C)NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000458734812 405563747 /nfs/dbraw/zinc/56/37/47/405563747.db2.gz NBBRXTOUYRYZHQ-INIZCTEOSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@H](CC(=O)NCCN1[C@H](C)CCC[C@H]1C)C1CC[NH2+]CC1 ZINC000430886868 405521520 /nfs/dbraw/zinc/52/15/20/405521520.db2.gz CLMVCRMALAUMIN-BZUAXINKSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1ccccc1CNC(=O)[C@@H](C)N1CCC2(CC[NH2+]C2)CC1 ZINC000431044599 405567070 /nfs/dbraw/zinc/56/70/70/405567070.db2.gz XDCGUIQCFBAYKS-MRXNPFEDSA-N 1 3 315.461 2.075 20 0 DEADHO Cc1ccc(CNC(=O)[C@H](C)N2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431033989 405565322 /nfs/dbraw/zinc/56/53/22/405565322.db2.gz LOVFGVNQXHRMGT-INIZCTEOSA-N 1 3 315.461 2.075 20 0 DEADHO O=C(CN1CCC2(CC[NH2+]C2)CC1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000431043764 405565735 /nfs/dbraw/zinc/56/57/35/405565735.db2.gz SDTWQXIWHSEDAD-DLBZAZTESA-N 1 3 319.493 2.243 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000458703577 405551988 /nfs/dbraw/zinc/55/19/88/405551988.db2.gz HUSZJDDVQBQCHY-IRXDYDNUSA-N 1 3 322.497 2.127 20 0 DEADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000458703577 405551994 /nfs/dbraw/zinc/55/19/94/405551994.db2.gz HUSZJDDVQBQCHY-IRXDYDNUSA-N 1 3 322.497 2.127 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000449574194 405621921 /nfs/dbraw/zinc/62/19/21/405621921.db2.gz VXGKZKAPFUJEQR-ZBFHGGJFSA-N 1 3 321.440 2.281 20 0 DEADHO C[NH+](C)CCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000557037294 405571699 /nfs/dbraw/zinc/57/16/99/405571699.db2.gz PPEKOYKGGQPONJ-QGZVFWFLSA-N 1 3 303.450 2.109 20 0 DEADHO CC(C)(CNC(=O)N1CCC(CC[NH3+])CC1)N1CCCCC1 ZINC000580084362 405584474 /nfs/dbraw/zinc/58/44/74/405584474.db2.gz REVBYDNYCIELJC-UHFFFAOYSA-N 1 3 310.486 2.021 20 0 DEADHO C[C@H](NC1CC1)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000449505699 405587917 /nfs/dbraw/zinc/58/79/17/405587917.db2.gz ROWDMZWDYHKWLT-QMMMGPOBSA-N 1 3 301.312 2.243 20 0 DEADHO C[C@H](CCN[C@@H]1CCO[C@@H]1C1CC1)[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000580161210 405595447 /nfs/dbraw/zinc/59/54/47/405595447.db2.gz FDEIKFGGQSXPQC-CUWKQTPXSA-N 1 3 308.466 2.079 20 0 DEADHO C[C@H](CC[NH2+][C@@H]1CCO[C@@H]1C1CC1)N[C@H]1CCO[C@H]1C1CC1 ZINC000580161210 405595452 /nfs/dbraw/zinc/59/54/52/405595452.db2.gz FDEIKFGGQSXPQC-CUWKQTPXSA-N 1 3 308.466 2.079 20 0 DEADHO C[C@H]([NH3+])C(=O)N[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000638663999 405602929 /nfs/dbraw/zinc/60/29/29/405602929.db2.gz KRPYAHWQEODQJF-QPUJVOFHSA-N 1 3 304.221 2.060 20 0 DEADHO CCN(CC)C(=O)c1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422802722 405684498 /nfs/dbraw/zinc/68/44/98/405684498.db2.gz BVFGBDPMDBTDAQ-DLBZAZTESA-N 1 3 303.450 2.386 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000422891511 405689010 /nfs/dbraw/zinc/68/90/10/405689010.db2.gz VMYMJWVVXFFLNI-OIISXLGYSA-N 1 3 307.482 2.145 20 0 DEADHO CC[C@H](O)CCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422927618 405690624 /nfs/dbraw/zinc/69/06/24/405690624.db2.gz ZHCGZNPLUGJLDM-QILLFSRXSA-N 1 3 304.434 2.383 20 0 DEADHO CC[C@H](CN[C@@H]1C[NH2+]CC[C@H]1C)N1CCc2ccccc2C1 ZINC000422807044 405683201 /nfs/dbraw/zinc/68/32/01/405683201.db2.gz LUJWAVGFUULQCS-ATZDWAIDSA-N 1 3 301.478 2.411 20 0 DEADHO CC[C@H](C[NH2+][C@@H]1CNCC[C@H]1C)N1CCc2ccccc2C1 ZINC000422807044 405683213 /nfs/dbraw/zinc/68/32/13/405683213.db2.gz LUJWAVGFUULQCS-ATZDWAIDSA-N 1 3 301.478 2.411 20 0 DEADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCCN1CCCCC1 ZINC000422814663 405683479 /nfs/dbraw/zinc/68/34/79/405683479.db2.gz VVKHXVBHXQTAMB-MJGOQNOKSA-N 1 3 315.461 2.318 20 0 DEADHO Cc1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])c(-n2cc(Cl)cn2)n1 ZINC000423075514 405700287 /nfs/dbraw/zinc/70/02/87/405700287.db2.gz XFOHBEVDNUVQJO-DOMZBBRYSA-N 1 3 319.840 2.446 20 0 DEADHO C[C@H](NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)C1C[NH2+]C1 ZINC000423075300 405700296 /nfs/dbraw/zinc/70/02/96/405700296.db2.gz OFMVKAQOGMGRPC-KKXDTOCCSA-N 1 3 306.425 2.097 20 0 DEADHO C[C@H]([NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)C1CNC1 ZINC000423075300 405700300 /nfs/dbraw/zinc/70/03/00/405700300.db2.gz OFMVKAQOGMGRPC-KKXDTOCCSA-N 1 3 306.425 2.097 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])N[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000422896288 405691909 /nfs/dbraw/zinc/69/19/09/405691909.db2.gz IDZSWLURRPBUPH-BFHYXJOUSA-N 1 3 319.449 2.120 20 0 DEADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000423063135 405697691 /nfs/dbraw/zinc/69/76/91/405697691.db2.gz VOORSWBUUKEPPM-OMVTVGPASA-N 1 3 314.429 2.399 20 0 DEADHO C/C=C/C[C@H](CO)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423044772 405697811 /nfs/dbraw/zinc/69/78/11/405697811.db2.gz AXCLHZQIRNUUEM-SNDIKOPVSA-N 1 3 302.418 2.159 20 0 DEADHO Fc1ccc2c(c1)[C@H](NCCCN1CC[NH2+]CC1)CCS2 ZINC000423177608 405712672 /nfs/dbraw/zinc/71/26/72/405712672.db2.gz JDEVNNWWKLOJQH-OAHLLOKOSA-N 1 3 309.454 2.248 20 0 DEADHO CC(C)(CO)CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423158588 405705917 /nfs/dbraw/zinc/70/59/17/405705917.db2.gz OGBGDOKADLQHDT-YJBOKZPZSA-N 1 3 304.434 2.241 20 0 DEADHO C[C@@H](C(=O)NCc1cccc2c1CC[NH2+]C2)[C@H](N)c1ccccc1 ZINC000638841609 405707430 /nfs/dbraw/zinc/70/74/30/405707430.db2.gz VRNBYYOOQZYYDA-KUHUBIRLSA-N 1 3 323.440 2.285 20 0 DEADHO C[C@@H](NCCN1CC[NH2+]CC1)c1cc(Br)cs1 ZINC000423200166 405719315 /nfs/dbraw/zinc/71/93/15/405719315.db2.gz DQCWOJRSWLTPAV-SNVBAGLBSA-N 1 3 318.284 2.066 20 0 DEADHO CO[C@@H](C[NH2+]Cc1cccc(CN(C)C)c1)C1CCOCC1 ZINC000638850351 405713385 /nfs/dbraw/zinc/71/33/85/405713385.db2.gz DONMDUSZFKCZAC-SFHVURJKSA-N 1 3 306.450 2.279 20 0 DEADHO Fc1ccc([C@@H](NCCN2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423209573 405724891 /nfs/dbraw/zinc/72/48/91/405724891.db2.gz VDBWXLHMCBSCIY-IBGZPJMESA-N 1 3 313.420 2.410 20 0 DEADHO Cn1cc([C@H](NCC[C@@H]2CC[NH2+]C2)c2cccc(F)c2)cn1 ZINC000423244518 405734909 /nfs/dbraw/zinc/73/49/09/405734909.db2.gz HOCMIZYQXIPLHS-SUMWQHHRSA-N 1 3 302.397 2.238 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000494669315 405742750 /nfs/dbraw/zinc/74/27/50/405742750.db2.gz UIHSHEYEELWTOP-BPQIPLTHSA-N 1 3 315.461 2.470 20 0 DEADHO CCC(N)(CC)C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000423282906 405748144 /nfs/dbraw/zinc/74/81/44/405748144.db2.gz DJBBQQIYGQDWCO-RDJZCZTQSA-N 1 3 304.482 2.399 20 0 DEADHO CCC([NH3+])(CC)CN[C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000423282906 405748152 /nfs/dbraw/zinc/74/81/52/405748152.db2.gz DJBBQQIYGQDWCO-RDJZCZTQSA-N 1 3 304.482 2.399 20 0 DEADHO CCN(C)c1ccc(C[NH2+]CCCN2CCCO[C@@H](C)C2)cn1 ZINC000432368433 405754784 /nfs/dbraw/zinc/75/47/84/405754784.db2.gz PUYWXEOIPXJAMB-INIZCTEOSA-N 1 3 320.481 2.128 20 0 DEADHO CC1CCN([C@@H](CNC(=O)C2(C)C[NH2+]C2)c2cccs2)CC1 ZINC000423309184 405756197 /nfs/dbraw/zinc/75/61/97/405756197.db2.gz POKLBBDRISQZOD-AWEZNQCLSA-N 1 3 321.490 2.247 20 0 DEADHO [NH3+]CC1(CC(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC000423364989 405778599 /nfs/dbraw/zinc/77/85/99/405778599.db2.gz ZOHAKXPTCWYGTC-QGZVFWFLSA-N 1 3 315.461 2.286 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000423367190 405779801 /nfs/dbraw/zinc/77/98/01/405779801.db2.gz QYKNFUZSONRVEN-COXVUDFISA-N 1 3 301.434 2.066 20 0 DEADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000584111682 405828248 /nfs/dbraw/zinc/82/82/48/405828248.db2.gz PBNCUQLIJMRLKZ-KGLIPLIRSA-N 1 3 322.453 2.011 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)CC2(C[NH3+])CC2)CCN1Cc1ccccc1 ZINC000423373041 405781984 /nfs/dbraw/zinc/78/19/84/405781984.db2.gz GXUZBPYHWUWDFE-NVXWUHKLSA-N 1 3 315.461 2.285 20 0 DEADHO Cc1ccc([C@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000423390139 405786684 /nfs/dbraw/zinc/78/66/84/405786684.db2.gz OGGXZKLHHLZNRF-ZFWWWQNUSA-N 1 3 315.383 2.482 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)N(C)C ZINC000495163074 405829006 /nfs/dbraw/zinc/82/90/06/405829006.db2.gz GXOJRSOINVWURN-YVSFHVDLSA-N 1 3 309.498 2.436 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)N(C)C ZINC000495163074 405829010 /nfs/dbraw/zinc/82/90/10/405829010.db2.gz GXOJRSOINVWURN-YVSFHVDLSA-N 1 3 309.498 2.436 20 0 DEADHO CN1CCC[C@H](CNC(=O)CC2(C[NH3+])CC2)[C@H]1c1cccs1 ZINC000423416905 405797498 /nfs/dbraw/zinc/79/74/98/405797498.db2.gz DQUNOCGATKEHIP-CJNGLKHVSA-N 1 3 321.490 2.376 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CC1(C[NH3+])CC1 ZINC000423420464 405800343 /nfs/dbraw/zinc/80/03/43/405800343.db2.gz XEGLSAWHDVKRBF-RDJZCZTQSA-N 1 3 315.461 2.142 20 0 DEADHO CC1(C)CCCN[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000423421591 405800811 /nfs/dbraw/zinc/80/08/11/405800811.db2.gz YBEVFHNLPRPEAJ-JKSUJKDBSA-N 1 3 307.482 2.145 20 0 DEADHO CC1(C)CCCN[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000423421591 405800817 /nfs/dbraw/zinc/80/08/17/405800817.db2.gz YBEVFHNLPRPEAJ-JKSUJKDBSA-N 1 3 307.482 2.145 20 0 DEADHO O=C(CNC1CC1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000583992190 405803658 /nfs/dbraw/zinc/80/36/58/405803658.db2.gz UXZBPZWZNWTILO-UHFFFAOYSA-N 1 3 301.434 2.406 20 0 DEADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H](N)CC2CCCCC2)C1 ZINC000423435026 405806027 /nfs/dbraw/zinc/80/60/27/405806027.db2.gz OJZPOTAYLXROKZ-QZTJIDSGSA-N 1 3 321.509 2.474 20 0 DEADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H](N)CC2CCCCC2)C1 ZINC000423435026 405806030 /nfs/dbraw/zinc/80/60/30/405806030.db2.gz OJZPOTAYLXROKZ-QZTJIDSGSA-N 1 3 321.509 2.474 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000639005469 405817129 /nfs/dbraw/zinc/81/71/29/405817129.db2.gz NDTSGYUIWNEYJO-SQNIBIBYSA-N 1 3 315.461 2.074 20 0 DEADHO C[C@H]([NH2+]C[C@H](N)C1CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423339852 405767993 /nfs/dbraw/zinc/76/79/93/405767993.db2.gz ZSNLBYBOKFGUPX-ZBEGNZNMSA-N 1 3 302.422 2.358 20 0 DEADHO [NH3+]CC1(CC(=O)NCC2CCN(Cc3cccs3)CC2)CC1 ZINC000423353502 405772518 /nfs/dbraw/zinc/77/25/18/405772518.db2.gz DLQCRVAJTAXLOC-UHFFFAOYSA-N 1 3 321.490 2.205 20 0 DEADHO O=C1CCCCN1CCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459427520 405899078 /nfs/dbraw/zinc/89/90/78/405899078.db2.gz NVYABZWPMUPUFC-UHFFFAOYSA-N 1 3 316.449 2.043 20 0 DEADHO Cc1cccc(CN2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC000636328100 405896536 /nfs/dbraw/zinc/89/65/36/405896536.db2.gz SABYSYPWHFGRRP-MSOLQXFVSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1cccc(CN2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)c1 ZINC000636328100 405896544 /nfs/dbraw/zinc/89/65/44/405896544.db2.gz SABYSYPWHFGRRP-MSOLQXFVSA-N 1 3 315.461 2.027 20 0 DEADHO CCOC(=O)C1CCC([NH2+][C@@H]2CNC[C@H]2c2ccccc2)CC1 ZINC000423529149 405842913 /nfs/dbraw/zinc/84/29/13/405842913.db2.gz OAEXQTZGMMFIRQ-ZGUYJTEBSA-N 1 3 316.445 2.454 20 0 DEADHO Cc1ccc([C@@H](CCn2cncn2)[NH2+]CCCNC2CC2)cc1 ZINC000423548583 405853115 /nfs/dbraw/zinc/85/31/15/405853115.db2.gz GVSJXAUNCBWKSR-GOSISDBHSA-N 1 3 313.449 2.450 20 0 DEADHO C[N@@H+]1CCC[C@@H](CCNC(=O)NCCN2CCCC(C)(C)C2)C1 ZINC000459323912 405853645 /nfs/dbraw/zinc/85/36/45/405853645.db2.gz UXBPOURDIUMZJZ-INIZCTEOSA-N 1 3 324.513 2.140 20 0 DEADHO C[N@H+]1CCC[C@@H](CCNC(=O)NCCN2CCCC(C)(C)C2)C1 ZINC000459323912 405853646 /nfs/dbraw/zinc/85/36/46/405853646.db2.gz UXBPOURDIUMZJZ-INIZCTEOSA-N 1 3 324.513 2.140 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000423742340 405940061 /nfs/dbraw/zinc/94/00/61/405940061.db2.gz KZKPAFVRGZGHFJ-CRAIPNDOSA-N 1 3 317.477 2.485 20 0 DEADHO C[C@@H](C(=O)N(CCN(C)C)Cc1cccc(Cl)c1)[C@H](C)[NH3+] ZINC000423743112 405941151 /nfs/dbraw/zinc/94/11/51/405941151.db2.gz JORMFIMKYWPYHH-OLZOCXBDSA-N 1 3 311.857 2.214 20 0 DEADHO CC[C@H](C)[C@@H](C[NH+]1CCC(CN2CCN(C)CC2)CC1)OC ZINC000639171027 405943820 /nfs/dbraw/zinc/94/38/20/405943820.db2.gz OLRMPCAQFAPEGL-FUHWJXTLSA-N 1 3 311.514 2.007 20 0 DEADHO N[C@@H](CC(F)F)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423772446 405955477 /nfs/dbraw/zinc/95/54/77/405955477.db2.gz LACFWWMYGFXWPG-AWEZNQCLSA-N 1 3 311.376 2.246 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000423773969 405956625 /nfs/dbraw/zinc/95/66/25/405956625.db2.gz KFZFADJXCMSIQI-UOVPBQLFSA-N 1 3 315.461 2.011 20 0 DEADHO C[C@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000433567869 405960692 /nfs/dbraw/zinc/96/06/92/405960692.db2.gz ISTHCBLSJKCXKK-RDJZCZTQSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@H]1CCC[N@@H+](CCNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000433567869 405960702 /nfs/dbraw/zinc/96/07/02/405960702.db2.gz ISTHCBLSJKCXKK-RDJZCZTQSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H]2NCCc3ccccc32)cc1 ZINC000423683631 405906591 /nfs/dbraw/zinc/90/65/91/405906591.db2.gz WTQQAYRGKBHHMQ-FZKQIMNGSA-N 1 3 309.413 2.323 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000561230926 405910558 /nfs/dbraw/zinc/91/05/58/405910558.db2.gz GATHZXPVEDQWDH-RDJZCZTQSA-N 1 3 318.465 2.032 20 0 DEADHO CCC[C@H](O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000450472516 405917252 /nfs/dbraw/zinc/91/72/52/405917252.db2.gz FRQWTCXCRKITJW-JZXOWHBKSA-N 1 3 312.498 2.359 20 0 DEADHO CCC[C@H](O)C[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000450472513 405917552 /nfs/dbraw/zinc/91/75/52/405917552.db2.gz FRQWTCXCRKITJW-BQFCYCMXSA-N 1 3 312.498 2.359 20 0 DEADHO CCN1CC[C@@H]([NH2+]Cc2cnn(CC(F)(F)F)c2)[C@H](C)C1 ZINC000531988922 406032454 /nfs/dbraw/zinc/03/24/54/406032454.db2.gz WMIZPDVNINIBKT-DGCLKSJQSA-N 1 3 304.360 2.265 20 0 DEADHO CCc1cc(NC[C@H]2CCC[N@@H+]2CCCO)c2ccccc2n1 ZINC000450600861 405973213 /nfs/dbraw/zinc/97/32/13/405973213.db2.gz WSXPNYCIFZGHSA-MRXNPFEDSA-N 1 3 313.445 2.478 20 0 DEADHO CCc1cc(NC[C@H]2CCC[N@H+]2CCCO)c2ccccc2n1 ZINC000450600861 405973217 /nfs/dbraw/zinc/97/32/17/405973217.db2.gz WSXPNYCIFZGHSA-MRXNPFEDSA-N 1 3 313.445 2.478 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000450822135 405984222 /nfs/dbraw/zinc/98/42/22/405984222.db2.gz SGISCDUUYIMXQF-DLBZAZTESA-N 1 3 311.514 2.026 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1CN1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000450822135 405984227 /nfs/dbraw/zinc/98/42/27/405984227.db2.gz SGISCDUUYIMXQF-DLBZAZTESA-N 1 3 311.514 2.026 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000462002252 406082671 /nfs/dbraw/zinc/08/26/71/406082671.db2.gz LDSWWWZJIJKEHL-ARFHVFGLSA-N 1 3 312.502 2.088 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000462002252 406082673 /nfs/dbraw/zinc/08/26/73/406082673.db2.gz LDSWWWZJIJKEHL-ARFHVFGLSA-N 1 3 312.502 2.088 20 0 DEADHO COc1ccccc1NC(=O)C[C@@H](C)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000532531056 406083490 /nfs/dbraw/zinc/08/34/90/406083490.db2.gz GQTBGZWDVJGBEU-HUUCEWRRSA-N 1 3 319.449 2.344 20 0 DEADHO COc1ccccc1NC(=O)C[C@@H](C)NCC[N@H+]1CC[C@@H](C)C1 ZINC000532531056 406083494 /nfs/dbraw/zinc/08/34/94/406083494.db2.gz GQTBGZWDVJGBEU-HUUCEWRRSA-N 1 3 319.449 2.344 20 0 DEADHO C[C@H](CC(=O)NCCc1ccccc1)NCC[N@@H+]1CC[C@H](C)C1 ZINC000532530986 406083627 /nfs/dbraw/zinc/08/36/27/406083627.db2.gz AZYVNWGDSRZWNY-DLBZAZTESA-N 1 3 317.477 2.055 20 0 DEADHO C[C@H](CC(=O)NCCc1ccccc1)NCC[N@H+]1CC[C@H](C)C1 ZINC000532530986 406083628 /nfs/dbraw/zinc/08/36/28/406083628.db2.gz AZYVNWGDSRZWNY-DLBZAZTESA-N 1 3 317.477 2.055 20 0 DEADHO COc1cc2c(cc1CNCC[C@H]1CCC[N@H+](C)C1)OCO2 ZINC000459796797 406051029 /nfs/dbraw/zinc/05/10/29/406051029.db2.gz WIXMFKQZZWESIE-CYBMUJFWSA-N 1 3 306.406 2.245 20 0 DEADHO COc1cc2c(cc1CNCC[C@H]1CCC[N@@H+](C)C1)OCO2 ZINC000459796797 406051033 /nfs/dbraw/zinc/05/10/33/406051033.db2.gz WIXMFKQZZWESIE-CYBMUJFWSA-N 1 3 306.406 2.245 20 0 DEADHO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000639337749 406055221 /nfs/dbraw/zinc/05/52/21/406055221.db2.gz OXUSQCPTSWOORZ-DJIMGWMZSA-N 1 3 307.482 2.145 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(F)cc(Cl)c1 ZINC000532312737 406065861 /nfs/dbraw/zinc/06/58/61/406065861.db2.gz CMPFAUBRJNIBSV-UHFFFAOYSA-N 1 3 315.820 2.045 20 0 DEADHO Cc1ccc(C(C)(C)CNC2CC[NH+](CC(C)(C)O)CC2)nc1 ZINC000639371618 406069563 /nfs/dbraw/zinc/06/95/63/406069563.db2.gz WLTQDHLRAPFIPY-UHFFFAOYSA-N 1 3 319.493 2.493 20 0 DEADHO C[C@@H]1CCC[C@H]([NH2+]CC(=O)NCCN2CCCCCC2)[C@@H]1C ZINC000516986462 406118981 /nfs/dbraw/zinc/11/89/81/406118981.db2.gz MILRKPHYJFSMJR-ZACQAIPSSA-N 1 3 309.498 2.393 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+][C@@H]2CC[C@@H](OC)C2)CC1 ZINC000471807524 406120043 /nfs/dbraw/zinc/12/00/43/406120043.db2.gz CBHDUVJHFSUOBQ-QZTJIDSGSA-N 1 3 317.477 2.486 20 0 DEADHO C[NH+](C)CC1(CNCCC(=O)Nc2cccnc2)CCCC1 ZINC000567710197 406124027 /nfs/dbraw/zinc/12/40/27/406124027.db2.gz GZZLPWBLNOXJDD-UHFFFAOYSA-N 1 3 304.438 2.122 20 0 DEADHO CN1CCC(CC(=O)N2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000486913360 406187599 /nfs/dbraw/zinc/18/75/99/406187599.db2.gz RVQVTMPYKRJQKY-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO COCC[C@H](c1ccccc1)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762140 406240132 /nfs/dbraw/zinc/24/01/32/406240132.db2.gz GRJIJCLZQODAGD-QZTJIDSGSA-N 1 3 306.450 2.153 20 0 DEADHO Cc1nc(CN2CCC(CN[C@@H](C)[C@@H]3CCC[NH2+]3)CC2)oc1C ZINC000569473032 406259321 /nfs/dbraw/zinc/25/93/21/406259321.db2.gz UVCNXQUPKUMVSF-YOEHRIQHSA-N 1 3 320.481 2.234 20 0 DEADHO C[C@@H](CNC(=O)Nc1ccc2c(c1)CNC2)C[NH+]1CCCC1 ZINC000569691976 406290689 /nfs/dbraw/zinc/29/06/89/406290689.db2.gz ONEMXLBWXUMTHT-ZDUSSCGKSA-N 1 3 302.422 2.143 20 0 DEADHO O=C(NCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1F ZINC000569919255 406320164 /nfs/dbraw/zinc/32/01/64/406320164.db2.gz UCAOPUXTZZKMBQ-OIISXLGYSA-N 1 3 319.424 2.066 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000488504132 406325638 /nfs/dbraw/zinc/32/56/38/406325638.db2.gz KZXQRYRHWUZEOC-AEFFLSMTSA-N 1 3 317.477 2.355 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000488504132 406325640 /nfs/dbraw/zinc/32/56/40/406325640.db2.gz KZXQRYRHWUZEOC-AEFFLSMTSA-N 1 3 317.477 2.355 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000521362558 406343780 /nfs/dbraw/zinc/34/37/80/406343780.db2.gz IZZIJUWENVNAHV-UHFFFAOYSA-N 1 3 310.486 2.164 20 0 DEADHO CC/C=C/CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000569138371 292393412 /nfs/dbraw/zinc/39/34/12/292393412.db2.gz MWSBKQFKZWIHBY-AATRIKPKSA-N 1 3 307.482 2.265 20 0 DEADHO CC1CC[NH+](CCCNC(=O)[C@H]2CCN2C2CCCC2)CC1 ZINC000635130916 406435297 /nfs/dbraw/zinc/43/52/97/406435297.db2.gz VOZWBFNZOLCIQO-QGZVFWFLSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C[C@H]1CCCN(C)C1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000547736232 406439256 /nfs/dbraw/zinc/43/92/56/406439256.db2.gz YLVNCEPAMLFHHU-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO CN(C[C@H]1CCCN(C)C1)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000547736232 406439258 /nfs/dbraw/zinc/43/92/58/406439258.db2.gz YLVNCEPAMLFHHU-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@H]1C[C@H](NC(=O)NCC[NH2+]C2CCCCCC2)CN1C1CC1 ZINC000571268558 406498639 /nfs/dbraw/zinc/49/86/39/406498639.db2.gz WTPZVPQMDXPWNU-HOCLYGCPSA-N 1 3 322.497 2.223 20 0 DEADHO CC(C)N1CC[C@H](C[NH2+]C2CCN(Cc3ccncc3)CC2)C1 ZINC000571805840 406569352 /nfs/dbraw/zinc/56/93/52/406569352.db2.gz GTCSRVSNGQCGIX-GOSISDBHSA-N 1 3 316.493 2.366 20 0 DEADHO CC[NH2+][C@@H](C)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000638085095 406560882 /nfs/dbraw/zinc/56/08/82/406560882.db2.gz JMEGSLUSYGTNAV-DOTOQJQBSA-N 1 3 303.450 2.246 20 0 DEADHO CCN(CC1CC1)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000571417978 406519616 /nfs/dbraw/zinc/51/96/16/406519616.db2.gz VLSGDCZTTWQHEL-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC000635412050 406525710 /nfs/dbraw/zinc/52/57/10/406525710.db2.gz OHTSHMDPTUMFBG-WBVHZDCISA-N 1 3 315.461 2.280 20 0 DEADHO CCC[C@@H](CN1CCN(C2CC[NH+](C(C)C)CC2)CC1)OC ZINC000638153653 406596525 /nfs/dbraw/zinc/59/65/25/406596525.db2.gz QUIPTDVXESACQQ-SFHVURJKSA-N 1 3 311.514 2.292 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N1C[C@H]([NH3+])C[C@H]1C)c1ccccc1 ZINC000635528744 406576227 /nfs/dbraw/zinc/57/62/27/406576227.db2.gz WGZXKILARPFXHM-DJIMGWMZSA-N 1 3 318.465 2.201 20 0 DEADHO CN1CCN(CC2(C)CC[NH+](CCC[C@@H]3CCOC3)CC2)CC1 ZINC000645857165 406668621 /nfs/dbraw/zinc/66/86/21/406668621.db2.gz QUTLUENYPJJPHT-GOSISDBHSA-N 1 3 323.525 2.153 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)/C=C\CN(C)C)Cc1ccccc1 ZINC000491686814 406669455 /nfs/dbraw/zinc/66/94/55/406669455.db2.gz SQPSTVSXQXPQJO-GFBZKKKVSA-N 1 3 317.477 2.174 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CCN[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000572466658 406673232 /nfs/dbraw/zinc/67/32/32/406673232.db2.gz QGFDDGQZJNITRF-KURKYZTESA-N 1 3 309.498 2.094 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CCN[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000572466658 406673237 /nfs/dbraw/zinc/67/32/37/406673237.db2.gz QGFDDGQZJNITRF-KURKYZTESA-N 1 3 309.498 2.094 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCN(C(=O)CCc3ccccc3)C2)C1 ZINC000569239537 292400343 /nfs/dbraw/zinc/40/03/43/292400343.db2.gz YRGORHIBUKAZNB-SQNIBIBYSA-N 1 3 315.461 2.080 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)NC[C@H]2CCN2C2CCCC2)CC1 ZINC000527643092 406702400 /nfs/dbraw/zinc/70/24/00/406702400.db2.gz VKNGVQPJNXUSPQ-QGZVFWFLSA-N 1 3 322.497 2.175 20 0 DEADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]2CCN2C2CCCC2)C1 ZINC000635635165 406641996 /nfs/dbraw/zinc/64/19/96/406641996.db2.gz IESQTBNZRWJNJC-FUHWJXTLSA-N 1 3 319.493 2.194 20 0 DEADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]2CCN2C2CCCC2)C1 ZINC000635635165 406642002 /nfs/dbraw/zinc/64/20/02/406642002.db2.gz IESQTBNZRWJNJC-FUHWJXTLSA-N 1 3 319.493 2.194 20 0 DEADHO CN(CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)CC(C)(C)C ZINC000635719345 406702872 /nfs/dbraw/zinc/70/28/72/406702872.db2.gz KIEGYTSIOVJFSO-WBVHZDCISA-N 1 3 321.509 2.440 20 0 DEADHO CN(CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)CC(C)(C)C ZINC000635719345 406702882 /nfs/dbraw/zinc/70/28/82/406702882.db2.gz KIEGYTSIOVJFSO-WBVHZDCISA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H]2NCC2(C)C)C1 ZINC000645989573 406732878 /nfs/dbraw/zinc/73/28/78/406732878.db2.gz MIHBVXOJLGPUMQ-BZUAXINKSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H]2NCC2(C)C)C1 ZINC000645989573 406732884 /nfs/dbraw/zinc/73/28/84/406732884.db2.gz MIHBVXOJLGPUMQ-BZUAXINKSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](COc1cccc(F)c1)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000638404206 406752183 /nfs/dbraw/zinc/75/21/83/406752183.db2.gz VPTHKOINQNWJGV-CQSZACIVSA-N 1 3 324.440 2.418 20 0 DEADHO [NH3+][C@@H](CCC(=O)N[C@H]1CCN(CC2CC2)C1)c1ccccc1 ZINC000645953150 406719894 /nfs/dbraw/zinc/71/98/94/406719894.db2.gz FLHPVCWWGIGCSW-IRXDYDNUSA-N 1 3 301.434 2.067 20 0 DEADHO C[N@H+](CCCNC(=O)CN1CCC(C)(C)C1)Cc1ccccc1 ZINC000552866554 406726333 /nfs/dbraw/zinc/72/63/33/406726333.db2.gz FVTZZMASYKVSCY-UHFFFAOYSA-N 1 3 317.477 2.357 20 0 DEADHO C[N@@H+](CCCNC(=O)CN1CCC(C)(C)C1)Cc1ccccc1 ZINC000552866554 406726335 /nfs/dbraw/zinc/72/63/35/406726335.db2.gz FVTZZMASYKVSCY-UHFFFAOYSA-N 1 3 317.477 2.357 20 0 DEADHO CC(C)[NH2+]CCC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000646106466 406783061 /nfs/dbraw/zinc/78/30/61/406783061.db2.gz ZROJCASUNVBBOR-QGZVFWFLSA-N 1 3 303.450 2.107 20 0 DEADHO CC[C@H]1CC[C@@H]1[NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000554368682 406794675 /nfs/dbraw/zinc/79/46/75/406794675.db2.gz FEAIVLYIVJQAQI-BZSNNMDCSA-N 1 3 317.477 2.054 20 0 DEADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000527941477 406792290 /nfs/dbraw/zinc/79/22/90/406792290.db2.gz ZVNKWTZGACPMQI-FVCCEPFGSA-N 1 3 304.360 2.305 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000646213732 406818549 /nfs/dbraw/zinc/81/85/49/406818549.db2.gz TXKMHJHJNHXMLF-YQQAZPJKSA-N 1 3 318.465 2.028 20 0 DEADHO CC(C)N1CCN(c2cccc(NC(=O)CC(C)(C)[NH3+])c2)CC1 ZINC000646282589 406835198 /nfs/dbraw/zinc/83/51/98/406835198.db2.gz MRMXHHBSCBOJQE-UHFFFAOYSA-N 1 3 318.465 2.283 20 0 DEADHO C[C@H]([NH3+])CCC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000646410107 406859553 /nfs/dbraw/zinc/85/95/53/406859553.db2.gz QYMRAWGXBRQSMC-DOTOQJQBSA-N 1 3 303.450 2.457 20 0 DEADHO CN(CCCC[NH+]1CCCCC1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000641797190 406894607 /nfs/dbraw/zinc/89/46/07/406894607.db2.gz XIIUGFZNSUGTFB-INIZCTEOSA-N 1 3 322.497 2.131 20 0 DEADHO CC(C)C1CCC(N2CCN(C(=O)NC/C=C\C[NH3+])CC2)CC1 ZINC000641869527 406905659 /nfs/dbraw/zinc/90/56/59/406905659.db2.gz CCRZCOVLVFLGMY-ARJAWSKDSA-N 1 3 322.497 2.043 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)CO1 ZINC000647209633 406972438 /nfs/dbraw/zinc/97/24/38/406972438.db2.gz SDFRQAWNWQFKNV-ZBFHGGJFSA-N 1 3 304.434 2.427 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(C(=O)NC4CC4)cc3)C[C@H]21 ZINC000647511431 407010429 /nfs/dbraw/zinc/01/04/29/407010429.db2.gz LWTGIXGKPAFLAR-KBAYOESNSA-N 1 3 313.445 2.138 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000643537695 407012574 /nfs/dbraw/zinc/01/25/74/407012574.db2.gz OJOYHFCUIASPMH-LAVFITLUSA-N 1 3 305.441 2.187 20 0 DEADHO Cc1nc(CN2CCC(C[NH2+][C@H]3CNC[C@@H](C)C3)CC2)oc1C ZINC000647548547 407018553 /nfs/dbraw/zinc/01/85/53/407018553.db2.gz HGIOWBDRHAUITL-SUMWQHHRSA-N 1 3 320.481 2.091 20 0 DEADHO Cc1nc(CN2CCC(CN[C@H]3C[NH2+]C[C@@H](C)C3)CC2)oc1C ZINC000647548547 407018556 /nfs/dbraw/zinc/01/85/56/407018556.db2.gz HGIOWBDRHAUITL-SUMWQHHRSA-N 1 3 320.481 2.091 20 0 DEADHO CCN1CCN(c2cccc(N[C@@H]3C[NH2+]C[C@H](C)C3)c2)CC1 ZINC000647551216 407019370 /nfs/dbraw/zinc/01/93/70/407019370.db2.gz AVWKQNWVBSHHBC-WBVHZDCISA-N 1 3 302.466 2.238 20 0 DEADHO O=C(CN[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Nc1ccc(Cl)cc1 ZINC000647790177 407051258 /nfs/dbraw/zinc/05/12/58/407051258.db2.gz UCEZQHMZLLVRDX-TYNCELHUSA-N 1 3 307.825 2.256 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000647343697 406989314 /nfs/dbraw/zinc/98/93/14/406989314.db2.gz AJORDTCQLFCNKH-BEKAIBRUSA-N 1 3 313.489 2.404 20 0 DEADHO N[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000643452192 407001415 /nfs/dbraw/zinc/00/14/15/407001415.db2.gz MEMKNLTWGOBPFZ-ROUUACIJSA-N 1 3 304.434 2.352 20 0 DEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCNCC1 ZINC000643456151 407002384 /nfs/dbraw/zinc/00/23/84/407002384.db2.gz KOIHUARCCASTSS-NUJGCVRESA-N 1 3 302.466 2.024 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccccc1CN1CCCC1=O ZINC000643460560 407002957 /nfs/dbraw/zinc/00/29/57/407002957.db2.gz JGEWBPDIEWUXLA-CRAIPNDOSA-N 1 3 315.461 2.416 20 0 DEADHO C[C@H]([NH3+])C1CCN(Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000647492247 407006880 /nfs/dbraw/zinc/00/68/80/407006880.db2.gz SSGOENURMIXVDB-ZDUSSCGKSA-N 1 3 301.434 2.138 20 0 DEADHO O=C(CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)NC1CCCCC1 ZINC000647975313 407091398 /nfs/dbraw/zinc/09/13/98/407091398.db2.gz VRLICMIEHAIQQM-JKSUJKDBSA-N 1 3 307.482 2.147 20 0 DEADHO CN(C(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000647975206 407091573 /nfs/dbraw/zinc/09/15/73/407091573.db2.gz QIAPGHKPFUUZOP-DLBZAZTESA-N 1 3 315.461 2.361 20 0 DEADHO CC(C)CN(C(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)C1CC1 ZINC000647978133 407092874 /nfs/dbraw/zinc/09/28/74/407092874.db2.gz NBMVUDABWBTDFV-IAGOWNOFSA-N 1 3 321.509 2.345 20 0 DEADHO CCCN(Cc1cn(-c2ccncc2)nc1C)[C@H]1CC[N@H+](C)C1 ZINC000648056511 407111049 /nfs/dbraw/zinc/11/10/49/407111049.db2.gz KRFYUKUNUJQAHR-SFHVURJKSA-N 1 3 313.449 2.492 20 0 DEADHO CCCN(Cc1cn(-c2ccncc2)nc1C)[C@H]1CC[N@@H+](C)C1 ZINC000648056511 407111050 /nfs/dbraw/zinc/11/10/50/407111050.db2.gz KRFYUKUNUJQAHR-SFHVURJKSA-N 1 3 313.449 2.492 20 0 DEADHO CC[C@H](N[C@H]1CCCC[C@H]1C[NH3+])C(=O)NCc1cccs1 ZINC000647802819 407053534 /nfs/dbraw/zinc/05/35/34/407053534.db2.gz VAECKSFAZUCLKG-QEJZJMRPSA-N 1 3 309.479 2.250 20 0 DEADHO CN(CCC[NH3+])CCC(=O)Nc1cccc(Br)c1 ZINC000647848418 407060511 /nfs/dbraw/zinc/06/05/11/407060511.db2.gz QQSBGKUBIFEOIR-UHFFFAOYSA-N 1 3 314.227 2.058 20 0 DEADHO CN(C)C[C@H](NC(=O)[C@H]1[NH2+]CC1(C)C)c1ccc(Cl)cc1 ZINC000648153923 407127140 /nfs/dbraw/zinc/12/71/40/407127140.db2.gz GCAVLGQOOBYWQO-UONOGXRCSA-N 1 3 309.841 2.057 20 0 DEADHO C[C@H](CNCCC(=O)Nc1ccccc1F)C[NH+]1CCCC1 ZINC000644525649 407135516 /nfs/dbraw/zinc/13/55/16/407135516.db2.gz QCNFIWBDSSRXIF-CQSZACIVSA-N 1 3 307.413 2.476 20 0 DEADHO C[C@H](C[NH2+]CCC(=O)Nc1ccccc1F)CN1CCCC1 ZINC000644525649 407135520 /nfs/dbraw/zinc/13/55/20/407135520.db2.gz QCNFIWBDSSRXIF-CQSZACIVSA-N 1 3 307.413 2.476 20 0 DEADHO CCCN(C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)[C@H]1CCN(C)C1 ZINC000645270587 407256900 /nfs/dbraw/zinc/25/69/00/407256900.db2.gz CJURWYKBEHXKMR-ZACQAIPSSA-N 1 3 324.513 2.375 20 0 DEADHO CCCN(C(=O)NCCC[NH+]1CCC(C)CC1)[C@@H]1CCN(C)C1 ZINC000645130975 407235937 /nfs/dbraw/zinc/23/59/37/407235937.db2.gz JZRCDYDSEXGVRN-QGZVFWFLSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)[C@@H]1CCCNC1 ZINC000414858810 287013849 /nfs/dbraw/zinc/01/38/49/287013849.db2.gz SJFMQSQTTYOLOA-CHWSQXEVSA-N 1 3 307.404 2.381 20 0 DEADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(CS(C)(=O)=O)c1 ZINC000131621736 196184999 /nfs/dbraw/zinc/18/49/99/196184999.db2.gz XVJKXXGJHGOJPQ-JKIFEVAISA-N 1 3 324.490 2.050 20 0 DEADHO C[C@@H]1C[C@H](C[NH3+])CN1CCOc1ccc(Br)cc1 ZINC000131664527 196189263 /nfs/dbraw/zinc/18/92/63/196189263.db2.gz KEIKUMYBHAUBMU-VXGBXAGGSA-N 1 3 313.239 2.497 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2CCN(C)CC2)C1 ZINC000369926236 287273671 /nfs/dbraw/zinc/27/36/71/287273671.db2.gz JEYWGLMHUQPINT-IAGOWNOFSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C2CCN(C)CC2)C1 ZINC000369926236 287273673 /nfs/dbraw/zinc/27/36/73/287273673.db2.gz JEYWGLMHUQPINT-IAGOWNOFSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1[NH2+]CCF ZINC001423067679 1173053917 /nfs/dbraw/zinc/05/39/17/1173053917.db2.gz QULFJTYBAGJRFP-CABCVRRESA-N 1 3 315.477 2.151 20 0 DEADHO CC[C@@H]1C[C@@H](C[N@@H+]2CCN(C3CCN(C)CC3)[C@@H](C)C2)CCO1 ZINC000349331334 287282166 /nfs/dbraw/zinc/28/21/66/287282166.db2.gz LIXIWNBHSJGYDF-JENIJYKNSA-N 1 3 323.525 2.292 20 0 DEADHO CC[C@@H]1C[C@@H](C[N@H+]2CCN(C3CCN(C)CC3)[C@@H](C)C2)CCO1 ZINC000349331334 287282170 /nfs/dbraw/zinc/28/21/70/287282170.db2.gz LIXIWNBHSJGYDF-JENIJYKNSA-N 1 3 323.525 2.292 20 0 DEADHO CC[C@H](C(=O)NCC1(SC)CC[NH+](C)CC1)N(CC)CC ZINC000362333829 287489187 /nfs/dbraw/zinc/48/91/87/287489187.db2.gz PVSDWJQJNGMTGD-CQSZACIVSA-N 1 3 315.527 2.050 20 0 DEADHO C[C@H]1CCN[C@H](C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000417833790 229117909 /nfs/dbraw/zinc/11/79/09/229117909.db2.gz UUVVXCDLLLDXSW-ZANVPECISA-N 1 3 315.339 2.491 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000417674791 229066703 /nfs/dbraw/zinc/06/67/03/229066703.db2.gz AYPGSYDWAMMQEV-LSDHHAIUSA-N 1 3 318.465 2.249 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)N(CCC[NH3+])CC2CCCC2)CCN1C ZINC000417749780 229086199 /nfs/dbraw/zinc/08/61/99/229086199.db2.gz JRUWDDBAIOFICJ-HOCLYGCPSA-N 1 3 310.486 2.020 20 0 DEADHO CN(C)Cc1ccc(C(=O)NCC2([NH+](C)C)CCCC2)cc1 ZINC000299562620 229213070 /nfs/dbraw/zinc/21/30/70/229213070.db2.gz AEBXVKQONLFSHE-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO CN(C)C(=O)c1ccccc1CNCC[C@H]1CCC[N@H+](C)C1 ZINC000418086529 229215622 /nfs/dbraw/zinc/21/56/22/229215622.db2.gz CXYPLAWWIFTPIH-OAHLLOKOSA-N 1 3 303.450 2.210 20 0 DEADHO CN(C)C(=O)c1ccccc1CNCC[C@H]1CCC[N@@H+](C)C1 ZINC000418086529 229215625 /nfs/dbraw/zinc/21/56/25/229215625.db2.gz CXYPLAWWIFTPIH-OAHLLOKOSA-N 1 3 303.450 2.210 20 0 DEADHO O=C(NCC[C@@H]1CCC[NH2+]C1)N1CCN(C2CCCCC2)CC1 ZINC000418343163 229315895 /nfs/dbraw/zinc/31/58/95/229315895.db2.gz JHADWMPRSAWXOW-INIZCTEOSA-N 1 3 322.497 2.036 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418587419 229396113 /nfs/dbraw/zinc/39/61/13/229396113.db2.gz RAXMOVQJTAOREJ-DLBZAZTESA-N 1 3 324.513 2.410 20 0 DEADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(CCOc2ccc(F)cc2)CC1 ZINC000420381906 229688746 /nfs/dbraw/zinc/68/87/46/229688746.db2.gz PGCCZBQEAHIKLO-ROUUACIJSA-N 1 3 322.424 2.423 20 0 DEADHO C[C@H]1CC[NH2+]C[C@@H]1NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000422713523 230174593 /nfs/dbraw/zinc/17/45/93/230174593.db2.gz HOXXDNOCNIYDLW-KSSFIOAISA-N 1 3 305.441 2.378 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](CO)Cc1ccccc1 ZINC000422764443 230197578 /nfs/dbraw/zinc/19/75/78/230197578.db2.gz PPJKOXHBDQTIQK-PBHICJAKSA-N 1 3 313.445 2.351 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000422768832 230199722 /nfs/dbraw/zinc/19/97/22/230199722.db2.gz UZKNYZHNJJHESG-QXRTWZOPSA-N 1 3 321.440 2.136 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+][C@H]1CCCN(c2cccc(F)c2)C1 ZINC000422768832 230199726 /nfs/dbraw/zinc/19/97/26/230199726.db2.gz UZKNYZHNJJHESG-QXRTWZOPSA-N 1 3 321.440 2.136 20 0 DEADHO C[C@@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCO[C@@H](C)c1ccccc1 ZINC000422793923 230210973 /nfs/dbraw/zinc/21/09/73/230210973.db2.gz XRUDRZCQWJDTHE-MXSMSXNCSA-N 1 3 306.450 2.496 20 0 DEADHO OC[C@H](CN[C@H]1CCC[NH2+]CC1)Cc1c(F)cccc1Cl ZINC000422795604 230214339 /nfs/dbraw/zinc/21/43/39/230214339.db2.gz HVILMSABJUCGQJ-STQMWFEESA-N 1 3 314.832 2.362 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cccc(N2CCCC2=O)c1 ZINC000422866051 230249784 /nfs/dbraw/zinc/24/97/84/230249784.db2.gz POTXIVIIMNMHBM-NVXWUHKLSA-N 1 3 301.434 2.421 20 0 DEADHO NC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000422902965 230270318 /nfs/dbraw/zinc/27/03/18/230270318.db2.gz VJUIPNNCCQECRO-MAUKXSAKSA-N 1 3 302.466 2.153 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000422909480 230271637 /nfs/dbraw/zinc/27/16/37/230271637.db2.gz OEGFGNBEIIESCV-IHRRRGAJSA-N 1 3 323.506 2.296 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCCc1nc2c(s1)CCCC2 ZINC000422909480 230271641 /nfs/dbraw/zinc/27/16/41/230271641.db2.gz OEGFGNBEIIESCV-IHRRRGAJSA-N 1 3 323.506 2.296 20 0 DEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCc1ccc2c(c1)OCCO2 ZINC000422927573 230280260 /nfs/dbraw/zinc/28/02/60/230280260.db2.gz GTXSFKDWBYWXRJ-JKSUJKDBSA-N 1 3 304.434 2.498 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2CNC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000422936189 230285408 /nfs/dbraw/zinc/28/54/08/230285408.db2.gz FCZQPVQSMOIWBD-HZPDHXFCSA-N 1 3 317.477 2.137 20 0 DEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000422953994 230292543 /nfs/dbraw/zinc/29/25/43/230292543.db2.gz GUUWBEMCPZYJIY-HOTGVXAUSA-N 1 3 301.434 2.073 20 0 DEADHO Cc1nccn1C[C@H](C)C[NH2+][C@H](Cc1ccccc1)[C@H](C)N ZINC000422960719 230296121 /nfs/dbraw/zinc/29/61/21/230296121.db2.gz XNPAITNZJFTRFY-RVKKMQEKSA-N 1 3 300.450 2.376 20 0 DEADHO COC[C@H](CCC[NH3+])N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000423016799 230318265 /nfs/dbraw/zinc/31/82/65/230318265.db2.gz NHMFWZIOZMPZSF-APHBMKBZSA-N 1 3 314.376 2.138 20 0 DEADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1ccc(OCC(F)(F)F)nc1 ZINC000423056417 230331915 /nfs/dbraw/zinc/33/19/15/230331915.db2.gz XNMQMQVEACDCHB-GHMZBOCLSA-N 1 3 305.344 2.281 20 0 DEADHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000423056417 230331919 /nfs/dbraw/zinc/33/19/19/230331919.db2.gz XNMQMQVEACDCHB-GHMZBOCLSA-N 1 3 305.344 2.281 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCc1ccccc1OC(F)F ZINC000423072880 230336728 /nfs/dbraw/zinc/33/67/28/230336728.db2.gz QIMYOXVDSCGKFH-IACUBPJLSA-N 1 3 314.376 2.172 20 0 DEADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000423072880 230336733 /nfs/dbraw/zinc/33/67/33/230336733.db2.gz QIMYOXVDSCGKFH-IACUBPJLSA-N 1 3 314.376 2.172 20 0 DEADHO C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1)[C@H]1CCCCN1 ZINC000423073320 230340638 /nfs/dbraw/zinc/34/06/38/230340638.db2.gz INUCPKYHWBUOBP-LIRZEXBASA-N 1 3 306.425 2.412 20 0 DEADHO C[C@@H](CCCC[NH3+])NCc1ccncc1OC[C@H]1CCOC1 ZINC000423118898 230356787 /nfs/dbraw/zinc/35/67/87/230356787.db2.gz CODMPBQDAJOQPG-GJZGRUSLSA-N 1 3 307.438 2.104 20 0 DEADHO Cc1cccnc1C(C)(C)CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423135170 230360890 /nfs/dbraw/zinc/36/08/90/230360890.db2.gz FHSPIIYBRCEZCD-BRWVUGGUSA-N 1 3 317.477 2.414 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CCC(C)(C)[NH3+] ZINC000389884250 424917072 /nfs/dbraw/zinc/91/70/72/424917072.db2.gz QGKXTNXHDPPMBU-ZBFHGGJFSA-N 1 3 303.450 2.141 20 0 DEADHO N[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCC1 ZINC000399174237 424922679 /nfs/dbraw/zinc/92/26/79/424922679.db2.gz HINOKKJCOFGJOO-AEFFLSMTSA-N 1 3 315.461 2.142 20 0 DEADHO N[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000399174237 424922682 /nfs/dbraw/zinc/92/26/82/424922682.db2.gz HINOKKJCOFGJOO-AEFFLSMTSA-N 1 3 315.461 2.142 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407304169 424931439 /nfs/dbraw/zinc/93/14/39/424931439.db2.gz DGZXYXITMOXFHN-JLSDUUJJSA-N 1 3 315.461 2.154 20 0 DEADHO C[C@H]1CCN(C)CCN1C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416162652 424955429 /nfs/dbraw/zinc/95/54/29/424955429.db2.gz VSIYGQQTXJZPAV-RDJZCZTQSA-N 1 3 303.450 2.232 20 0 DEADHO C[NH+](C)C1(CNC(=O)[C@@H]2CNCCC2(F)F)CCCCCC1 ZINC000649280433 424983691 /nfs/dbraw/zinc/98/36/91/424983691.db2.gz SUPPDEIYJAULCH-ZDUSSCGKSA-N 1 3 317.424 2.002 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CNCCC1(F)F)CC(C)C ZINC000649285322 424983794 /nfs/dbraw/zinc/98/37/94/424983794.db2.gz JRHUVEOMYPUBTD-UONOGXRCSA-N 1 3 319.440 2.104 20 0 DEADHO C[C@@H](c1ccccc1)[C@H](O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000649351898 424999483 /nfs/dbraw/zinc/99/94/83/424999483.db2.gz NEOIMLDDXPKBGF-QFBILLFUSA-N 1 3 311.429 2.368 20 0 DEADHO NC[C@]12CCC[C@H]1C[N@H+](Cc1cc(-n3ccnc3)cs1)C2 ZINC000650709124 425039395 /nfs/dbraw/zinc/03/93/95/425039395.db2.gz DDDKZRIVKDGQQY-BBRMVZONSA-N 1 3 302.447 2.495 20 0 DEADHO NC[C@]12CCC[C@H]1C[N@@H+](Cc1cc(-n3ccnc3)cs1)C2 ZINC000650709124 425039398 /nfs/dbraw/zinc/03/93/98/425039398.db2.gz DDDKZRIVKDGQQY-BBRMVZONSA-N 1 3 302.447 2.495 20 0 DEADHO [NH3+]C[C@]12CCC[C@H]1CN(Cc1cc(-n3ccnc3)cs1)C2 ZINC000650709124 425039399 /nfs/dbraw/zinc/03/93/99/425039399.db2.gz DDDKZRIVKDGQQY-BBRMVZONSA-N 1 3 302.447 2.495 20 0 DEADHO COc1cc(C)nc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650707926 425039911 /nfs/dbraw/zinc/03/99/11/425039911.db2.gz QCIXISBENWNUQS-RLFYNMQTSA-N 1 3 319.449 2.117 20 0 DEADHO CC[C@H](OCCN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+])c1ccccc1 ZINC000650741701 425046109 /nfs/dbraw/zinc/04/61/09/425046109.db2.gz JUWYARXUEHJRSE-OWLYRPNTSA-N 1 3 306.450 2.496 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000650759163 425048976 /nfs/dbraw/zinc/04/89/76/425048976.db2.gz FIVPDUDAODFXBG-MBGYTDRXSA-N 1 3 303.450 2.145 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000650759162 425049306 /nfs/dbraw/zinc/04/93/06/425049306.db2.gz FIVPDUDAODFXBG-JXSMBQFASA-N 1 3 303.450 2.145 20 0 DEADHO CC[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccncc1 ZINC000651228258 425119434 /nfs/dbraw/zinc/11/94/34/425119434.db2.gz FVNHDYIBKKKEEM-AEFFLSMTSA-N 1 3 302.466 2.291 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC(N3CCOC[C@@H]3C)CC2)C1 ZINC000660590801 425169689 /nfs/dbraw/zinc/16/96/89/425169689.db2.gz QMMZXFMRMGNEPW-KSZLIROESA-N 1 3 323.525 2.149 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC(N3CCOC[C@@H]3C)CC2)C1 ZINC000660590801 425169694 /nfs/dbraw/zinc/16/96/94/425169694.db2.gz QMMZXFMRMGNEPW-KSZLIROESA-N 1 3 323.525 2.149 20 0 DEADHO C(c1nc2c(s1)CNCC2)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000663498828 425173474 /nfs/dbraw/zinc/17/34/74/425173474.db2.gz UGDXZJRZIONMAC-AWEZNQCLSA-N 1 3 320.506 2.000 20 0 DEADHO CN(C)c1ncc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000656784715 425188494 /nfs/dbraw/zinc/18/84/94/425188494.db2.gz GDXYDLPFYGETTD-CQSZACIVSA-N 1 3 308.495 2.421 20 0 DEADHO NC(=O)c1csc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656785125 425188532 /nfs/dbraw/zinc/18/85/32/425188532.db2.gz JBIBNFTZVBFYMJ-ZDUSSCGKSA-N 1 3 307.463 2.059 20 0 DEADHO [NH3+][C@H]1CCC[C@@H](NCc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000666852289 425197368 /nfs/dbraw/zinc/19/73/68/425197368.db2.gz ZQFXOJFCTSAUDC-UONOGXRCSA-N 1 3 314.389 2.165 20 0 DEADHO CC[C@@]1(C)CCC[C@@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000651830285 425148909 /nfs/dbraw/zinc/14/89/09/425148909.db2.gz JVJITSQTNRFLMZ-ROUUACIJSA-N 1 3 323.525 2.341 20 0 DEADHO CCN1C[C@H](C[NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)CC1=O ZINC000652015440 425162763 /nfs/dbraw/zinc/16/27/63/425162763.db2.gz CXEMUSKUDVUDKO-BQFCYCMXSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000660571993 425164701 /nfs/dbraw/zinc/16/47/01/425164701.db2.gz REPSRNLMFIQPMP-GVDBMIGSSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000660571993 425164706 /nfs/dbraw/zinc/16/47/06/425164706.db2.gz REPSRNLMFIQPMP-GVDBMIGSSA-N 1 3 322.497 2.033 20 0 DEADHO CCN(C(=O)NC[C@H](C)C[NH+]1CCCCC1)[C@H]1CCN(CC)C1 ZINC000663756336 425228824 /nfs/dbraw/zinc/22/88/24/425228824.db2.gz VWXSEAZQQCQSTH-IRXDYDNUSA-N 1 3 324.513 2.234 20 0 DEADHO C[NH2+]Cc1ccccc1CNC(=O)N(C)CCN1CCCCC1 ZINC000652292532 425232198 /nfs/dbraw/zinc/23/21/98/425232198.db2.gz WIGWLFJIXFCDFE-UHFFFAOYSA-N 1 3 318.465 2.033 20 0 DEADHO C[C@H]1CCC[N@H+](CCC(=O)N2CCc3ccccc32)[C@H]1CCN ZINC000652354305 425246588 /nfs/dbraw/zinc/24/65/88/425246588.db2.gz SWQSNRGNBCARSA-RDJZCZTQSA-N 1 3 315.461 2.415 20 0 DEADHO C[C@H]1CCC[N@@H+](CCC(=O)N2CCc3ccccc32)[C@H]1CCN ZINC000652354305 425246594 /nfs/dbraw/zinc/24/65/94/425246594.db2.gz SWQSNRGNBCARSA-RDJZCZTQSA-N 1 3 315.461 2.415 20 0 DEADHO C[C@H]1CCCN(CCC(=O)N2CCc3ccccc32)[C@H]1CC[NH3+] ZINC000652354305 425246596 /nfs/dbraw/zinc/24/65/96/425246596.db2.gz SWQSNRGNBCARSA-RDJZCZTQSA-N 1 3 315.461 2.415 20 0 DEADHO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](C)[C@H]2CCN)cc1 ZINC000652354755 425247356 /nfs/dbraw/zinc/24/73/56/425247356.db2.gz HHUYXSUURZNDGE-WMLDXEAASA-N 1 3 319.449 2.473 20 0 DEADHO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](C)[C@H]2CCN)cc1 ZINC000652354755 425247358 /nfs/dbraw/zinc/24/73/58/425247358.db2.gz HHUYXSUURZNDGE-WMLDXEAASA-N 1 3 319.449 2.473 20 0 DEADHO COc1ccc(NC(=O)CCN2CCC[C@H](C)[C@H]2CC[NH3+])cc1 ZINC000652354755 425247361 /nfs/dbraw/zinc/24/73/61/425247361.db2.gz HHUYXSUURZNDGE-WMLDXEAASA-N 1 3 319.449 2.473 20 0 DEADHO CCc1noc(C)c1CN1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652362812 425249049 /nfs/dbraw/zinc/24/90/49/425249049.db2.gz QFBQDOZTNVYSQQ-IAOVAPTHSA-N 1 3 307.438 2.406 20 0 DEADHO CCN(C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)[C@@H]1CCN(CC)C1 ZINC000663848280 425250651 /nfs/dbraw/zinc/25/06/51/425250651.db2.gz CWZRMKVULNUAMS-IAGOWNOFSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCc2ccccc21 ZINC000657072212 425253212 /nfs/dbraw/zinc/25/32/12/425253212.db2.gz XEVQMOZVGCYFTO-HNNXBMFYSA-N 1 3 318.465 2.031 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2ccccc21 ZINC000657072212 425253215 /nfs/dbraw/zinc/25/32/15/425253215.db2.gz XEVQMOZVGCYFTO-HNNXBMFYSA-N 1 3 318.465 2.031 20 0 DEADHO CC[NH+](CC)CCCNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654347001 425330640 /nfs/dbraw/zinc/33/06/40/425330640.db2.gz OLFQLHMDFTZUML-HOTGVXAUSA-N 1 3 310.486 2.034 20 0 DEADHO CN1CC=C(C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000657428096 425331762 /nfs/dbraw/zinc/33/17/62/425331762.db2.gz YDAPKQLNPIBXMG-GOSISDBHSA-N 1 3 302.418 2.206 20 0 DEADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654374559 425336310 /nfs/dbraw/zinc/33/63/10/425336310.db2.gz JMXFKALBLKBGLU-ZACQAIPSSA-N 1 3 322.497 2.177 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000661070708 425313057 /nfs/dbraw/zinc/31/30/57/425313057.db2.gz GBMGZPNACNHZTE-GOEBONIOSA-N 1 3 322.497 2.175 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000661070708 425313059 /nfs/dbraw/zinc/31/30/59/425313059.db2.gz GBMGZPNACNHZTE-GOEBONIOSA-N 1 3 322.497 2.175 20 0 DEADHO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCN3CCC[C@H]3C2)cn1 ZINC000657691513 425387012 /nfs/dbraw/zinc/38/70/12/425387012.db2.gz STCMUCITUZCVDU-MHORFTMASA-N 1 3 302.466 2.348 20 0 DEADHO Cn1cc(C[C@@H]2CCC[C@@H]2N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000657691513 425387016 /nfs/dbraw/zinc/38/70/16/425387016.db2.gz STCMUCITUZCVDU-MHORFTMASA-N 1 3 302.466 2.348 20 0 DEADHO Cn1cc(C[C@@H]2CCC[C@@H]2N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000657691513 425387019 /nfs/dbraw/zinc/38/70/19/425387019.db2.gz STCMUCITUZCVDU-MHORFTMASA-N 1 3 302.466 2.348 20 0 DEADHO O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000653105194 425404522 /nfs/dbraw/zinc/40/45/22/425404522.db2.gz KDDMBXFSLYLAQZ-QGZVFWFLSA-N 1 3 315.461 2.157 20 0 DEADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]CC1 ZINC000653111738 425407397 /nfs/dbraw/zinc/40/73/97/425407397.db2.gz YVSSHKZUFXOMEY-MSOLQXFVSA-N 1 3 315.461 2.157 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[NH2+]CC2)CN1Cc1ccccc1 ZINC000653121999 425410053 /nfs/dbraw/zinc/41/00/53/425410053.db2.gz IEYOKBKCYBZBER-NJAFHUGGSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCC(C)(C)C1 ZINC000664563879 425411946 /nfs/dbraw/zinc/41/19/46/425411946.db2.gz AKNSUVLJYZTCNQ-LSDHHAIUSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCC(C)(C)C1 ZINC000664563879 425411948 /nfs/dbraw/zinc/41/19/48/425411948.db2.gz AKNSUVLJYZTCNQ-LSDHHAIUSA-N 1 3 312.502 2.136 20 0 DEADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2COC3(CCC3)C2)cc1 ZINC000657874648 425412199 /nfs/dbraw/zinc/41/21/99/425412199.db2.gz WWAWLGMZRVIKJB-KRWDZBQOSA-N 1 3 318.461 2.471 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCCn3nccc32)[C@H](C)C1 ZINC000657884150 425412304 /nfs/dbraw/zinc/41/23/04/425412304.db2.gz LEFXUZKLQFMNTL-IXDOHACOSA-N 1 3 320.481 2.445 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654566370 425383432 /nfs/dbraw/zinc/38/34/32/425383432.db2.gz AWUXNNJLJOTFBP-BRWVUGGUSA-N 1 3 324.513 2.423 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654566370 425383435 /nfs/dbraw/zinc/38/34/35/425383435.db2.gz AWUXNNJLJOTFBP-BRWVUGGUSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000661337914 425384611 /nfs/dbraw/zinc/38/46/11/425384611.db2.gz SUPXHTMCZWZLCT-KLAILNCOSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000661516218 425432774 /nfs/dbraw/zinc/43/27/74/425432774.db2.gz YZGJVGLTJFWMGP-JKSUJKDBSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661516218 425432775 /nfs/dbraw/zinc/43/27/75/425432775.db2.gz YZGJVGLTJFWMGP-JKSUJKDBSA-N 1 3 324.513 2.279 20 0 DEADHO C[NH2+]Cc1ccccc1CNC(=O)[C@@H](N)CC1CCCCC1 ZINC000653214766 425436401 /nfs/dbraw/zinc/43/64/01/425436401.db2.gz ALJDKHAFQSSTAS-KRWDZBQOSA-N 1 3 303.450 2.320 20 0 DEADHO CC(C)(C)O[C@@H]1C[C@@H](NC[C@H](O)C[NH+]2CCCC2)C12CCC2 ZINC000661850308 425514099 /nfs/dbraw/zinc/51/40/99/425514099.db2.gz ZYMVMKWDOQVXEQ-ARFHVFGLSA-N 1 3 310.482 2.159 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)NCC1([NH3+])CCCC1 ZINC000659010551 425519107 /nfs/dbraw/zinc/51/91/07/425519107.db2.gz OSLGMTMSGCIKCO-UHFFFAOYSA-N 1 3 304.438 2.184 20 0 DEADHO CCN(C(=O)NCCCCC[NH+]1CCCC1)[C@H]1CCN(CC)C1 ZINC000664964933 425486010 /nfs/dbraw/zinc/48/60/10/425486010.db2.gz JKXXGQPQVUOFGT-KRWDZBQOSA-N 1 3 324.513 2.378 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@H]3C3CC3)CC2)CC1 ZINC000655049741 425491108 /nfs/dbraw/zinc/49/11/08/425491108.db2.gz SWMJOIPSCHZGRZ-ZWKOTPCHSA-N 1 3 319.493 2.097 20 0 DEADHO CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000665358690 425552157 /nfs/dbraw/zinc/55/21/57/425552157.db2.gz NFDMBULGVJXFHN-HNNXBMFYSA-N 1 3 312.502 2.233 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000665356555 425552838 /nfs/dbraw/zinc/55/28/38/425552838.db2.gz SOIZKBZHBAMOHV-CQSZACIVSA-N 1 3 310.486 2.033 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)cc1 ZINC000655414366 425558439 /nfs/dbraw/zinc/55/84/39/425558439.db2.gz MEVUPYJZCXQIIH-ZHALLVOQSA-N 1 3 315.461 2.316 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655469737 425575724 /nfs/dbraw/zinc/57/57/24/425575724.db2.gz ZBZILFBKMXSSOQ-WBVHZDCISA-N 1 3 321.490 2.028 20 0 DEADHO C[C@@H]1CCCN(C(=O)C[C@@H](N)c2ccccc2)[C@@H]1CCC[NH3+] ZINC000659376328 425588992 /nfs/dbraw/zinc/58/89/92/425588992.db2.gz KHXLKXIQZDIFGW-DJIMGWMZSA-N 1 3 303.450 2.443 20 0 DEADHO CN(C(=O)N[C@H]1CCN(C(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000665553261 425594007 /nfs/dbraw/zinc/59/40/07/425594007.db2.gz RBNCNNMHTFWPCD-LSVZVQIISA-N 1 3 322.497 2.126 20 0 DEADHO CN(C(=O)N[C@H]1CCN(C(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000665553261 425594011 /nfs/dbraw/zinc/59/40/11/425594011.db2.gz RBNCNNMHTFWPCD-LSVZVQIISA-N 1 3 322.497 2.126 20 0 DEADHO Oc1ccc(C2CC[NH+](C[C@H]3CCC4(CNC4)O3)CC2)cc1 ZINC000662249478 425601479 /nfs/dbraw/zinc/60/14/79/425601479.db2.gz UUUDRGLQDVOGHT-QGZVFWFLSA-N 1 3 302.418 2.093 20 0 DEADHO CCC[N@H+](C[C@@H]1CCC2(CNC2)O1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000662256028 425603841 /nfs/dbraw/zinc/60/38/41/425603841.db2.gz IGPYKXNRGNCWRC-ARFHVFGLSA-N 1 3 310.482 2.423 20 0 DEADHO CCC[N@@H+](C[C@@H]1CCC2(CNC2)O1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000662256028 425603842 /nfs/dbraw/zinc/60/38/42/425603842.db2.gz IGPYKXNRGNCWRC-ARFHVFGLSA-N 1 3 310.482 2.423 20 0 DEADHO c1ccc(COC[C@@H]2CC[N@H+](C[C@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662256807 425604556 /nfs/dbraw/zinc/60/45/56/425604556.db2.gz KXIXFTGENKLDHP-QZTJIDSGSA-N 1 3 316.445 2.046 20 0 DEADHO c1ccc(COC[C@@H]2CC[N@@H+](C[C@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662256807 425604558 /nfs/dbraw/zinc/60/45/58/425604558.db2.gz KXIXFTGENKLDHP-QZTJIDSGSA-N 1 3 316.445 2.046 20 0 DEADHO CCC[N@H+](C)CC(C)(C)NC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000665355411 425549964 /nfs/dbraw/zinc/54/99/64/425549964.db2.gz SZBSDGMFRKFTPS-AWEZNQCLSA-N 1 3 312.502 2.279 20 0 DEADHO CCC[N@@H+](C)CC(C)(C)NC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000665355411 425549967 /nfs/dbraw/zinc/54/99/67/425549967.db2.gz SZBSDGMFRKFTPS-AWEZNQCLSA-N 1 3 312.502 2.279 20 0 DEADHO N[C@@H](CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)c1ccccc1 ZINC000662412451 425645019 /nfs/dbraw/zinc/64/50/19/425645019.db2.gz GCGOJEIRHLCIGT-MJGOQNOKSA-N 1 3 323.440 2.495 20 0 DEADHO CC[NH2+]CC1CCN(C(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000662430947 425650223 /nfs/dbraw/zinc/65/02/23/425650223.db2.gz YCCYFMONCWGVON-KRWDZBQOSA-N 1 3 301.434 2.069 20 0 DEADHO CC[NH+](CC)CC1CCN(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000659843447 425665341 /nfs/dbraw/zinc/66/53/41/425665341.db2.gz VEHFHQZAJRPAEC-CALCHBBNSA-N 1 3 311.514 2.149 20 0 DEADHO COc1cc(OC)c(CNC[C@H]2C[C@@H]([NH+](C)C)C2)c(OC)c1 ZINC000655826123 425666152 /nfs/dbraw/zinc/66/61/52/425666152.db2.gz QQLKHHHVLNFSGD-BETUJISGSA-N 1 3 308.422 2.142 20 0 DEADHO [NH3+][C@H]1CCO[C@@H](C2CCN(CCOCc3ccccc3)CC2)C1 ZINC000662281512 425612710 /nfs/dbraw/zinc/61/27/10/425612710.db2.gz MURXTJSFMCUEFC-RBUKOAKNSA-N 1 3 318.461 2.422 20 0 DEADHO OCC1(NCCCc2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC000662286488 425613751 /nfs/dbraw/zinc/61/37/51/425613751.db2.gz IHIBZWBXRNBZQJ-UHFFFAOYSA-N 1 3 316.367 2.342 20 0 DEADHO C[C@H](C(=O)NC1CCCC1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291951 425614929 /nfs/dbraw/zinc/61/49/29/425614929.db2.gz ZQCSWUNKDYSETE-ZBFHGGJFSA-N 1 3 307.482 2.145 20 0 DEADHO c1cc(CN2CCS[C@H]3COCC[C@@H]32)c2c(c1)C[NH2+]CC2 ZINC000662283991 425614954 /nfs/dbraw/zinc/61/49/54/425614954.db2.gz DVPRDKINZAHGSJ-IRXDYDNUSA-N 1 3 304.459 2.039 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)NCC[C@@H]([NH3+])C(C)C)c1ccco1 ZINC000659493290 425615581 /nfs/dbraw/zinc/61/55/81/425615581.db2.gz XALIMRFZMMMCHN-RRFJBIMHSA-N 1 3 324.469 2.381 20 0 DEADHO CCC[C@H](C)NC(=O)[C@@H](C)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294534 425615833 /nfs/dbraw/zinc/61/58/33/425615833.db2.gz CGCFNXCMSYHJSX-ZMSDIMECSA-N 1 3 309.498 2.391 20 0 DEADHO COc1ccc([C@H](CN)C[N@@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000662314180 425621089 /nfs/dbraw/zinc/62/10/89/425621089.db2.gz AYLOOVPAUVFAAT-SJLPKXTDSA-N 1 3 304.434 2.240 20 0 DEADHO COc1ccc([C@H](CN)C[N@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000662314180 425621092 /nfs/dbraw/zinc/62/10/92/425621092.db2.gz AYLOOVPAUVFAAT-SJLPKXTDSA-N 1 3 304.434 2.240 20 0 DEADHO CC(C)OCCN1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662328922 425625475 /nfs/dbraw/zinc/62/54/75/425625475.db2.gz WPISKIRJGXIJRU-UHFFFAOYSA-N 1 3 320.481 2.481 20 0 DEADHO CC(C)N(CC[NH2+]C1CCN(C[C@H]2CCCO2)CC1)C(C)C ZINC000655688891 425630175 /nfs/dbraw/zinc/63/01/75/425630175.db2.gz AKHHWJTZMFUQDS-GOSISDBHSA-N 1 3 311.514 2.338 20 0 DEADHO CN(CC[NH2+]C1CCN(C[C@H]2CCCO2)CC1)C1CCCC1 ZINC000655713123 425634057 /nfs/dbraw/zinc/63/40/57/425634057.db2.gz VXDBGBCIJGEOPU-GOSISDBHSA-N 1 3 309.498 2.094 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC ZINC000662366038 425634065 /nfs/dbraw/zinc/63/40/65/425634065.db2.gz ZVBAFKYVIBDJFC-DLBZAZTESA-N 1 3 321.465 2.192 20 0 DEADHO CCCCN1CCCC[C@H]1C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000655715022 425636638 /nfs/dbraw/zinc/63/66/38/425636638.db2.gz HWHJFIPLHMQYQS-OALUTQOASA-N 1 3 323.525 2.484 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)C[C@H]1CC=CCC1 ZINC000665760647 425640280 /nfs/dbraw/zinc/64/02/80/425640280.db2.gz MFQUEBSLMXMIEG-IRXDYDNUSA-N 1 3 324.513 2.256 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)C[C@H]1CC=CCC1 ZINC000665760647 425640283 /nfs/dbraw/zinc/64/02/83/425640283.db2.gz MFQUEBSLMXMIEG-IRXDYDNUSA-N 1 3 324.513 2.256 20 0 DEADHO C[C@H](CNC(=O)C[C@H]1NCc2ccccc21)C[NH+]1CCCC1 ZINC000662392750 425640282 /nfs/dbraw/zinc/64/02/82/425640282.db2.gz HIYBQVCOFPWFPI-RHSMWYFYSA-N 1 3 301.434 2.069 20 0 DEADHO CCC1(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCCC1 ZINC000665763712 425640828 /nfs/dbraw/zinc/64/08/28/425640828.db2.gz JWKROGHYZOPLFB-HNNXBMFYSA-N 1 3 312.502 2.280 20 0 DEADHO CCC1(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCCC1 ZINC000665763712 425640832 /nfs/dbraw/zinc/64/08/32/425640832.db2.gz JWKROGHYZOPLFB-HNNXBMFYSA-N 1 3 312.502 2.280 20 0 DEADHO CC[C@@H](C)N(CC)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665763809 425641193 /nfs/dbraw/zinc/64/11/93/425641193.db2.gz MLDYCTSMACQEMN-LSDHHAIUSA-N 1 3 300.491 2.088 20 0 DEADHO CC[C@@H](C)N(CC)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665763809 425641196 /nfs/dbraw/zinc/64/11/96/425641196.db2.gz MLDYCTSMACQEMN-LSDHHAIUSA-N 1 3 300.491 2.088 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000662396722 425641541 /nfs/dbraw/zinc/64/15/41/425641541.db2.gz HDMQZSXJTSOTEL-AEFFLSMTSA-N 1 3 313.445 2.308 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H](CN)c2ccc(F)cc2)C1 ZINC000662592727 425689022 /nfs/dbraw/zinc/68/90/22/425689022.db2.gz JRBAJHGBFUJNDS-BBRMVZONSA-N 1 3 321.440 2.105 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H](CN)c2ccc(F)cc2)C1 ZINC000662592727 425689029 /nfs/dbraw/zinc/68/90/29/425689029.db2.gz JRBAJHGBFUJNDS-BBRMVZONSA-N 1 3 321.440 2.105 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662593273 425689587 /nfs/dbraw/zinc/68/95/87/425689587.db2.gz NDTMFPGYSCQEDZ-PBHICJAKSA-N 1 3 315.461 2.458 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662593273 425689589 /nfs/dbraw/zinc/68/95/89/425689589.db2.gz NDTMFPGYSCQEDZ-PBHICJAKSA-N 1 3 315.461 2.458 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H](CN)c2ccc(F)cc2)C1 ZINC000662592732 425689634 /nfs/dbraw/zinc/68/96/34/425689634.db2.gz JRBAJHGBFUJNDS-XJKSGUPXSA-N 1 3 321.440 2.105 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@H](CN)c2ccc(F)cc2)C1 ZINC000662592732 425689637 /nfs/dbraw/zinc/68/96/37/425689637.db2.gz JRBAJHGBFUJNDS-XJKSGUPXSA-N 1 3 321.440 2.105 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000655962666 425694850 /nfs/dbraw/zinc/69/48/50/425694850.db2.gz AFCNPVSTVXAPTA-LSDHHAIUSA-N 1 3 310.486 2.020 20 0 DEADHO O=C(N[C@@H]1CCN(C2CCCCC2)C1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000662669437 425708245 /nfs/dbraw/zinc/70/82/45/425708245.db2.gz ZEOJRGYGWONYHU-HYVNUMGLSA-N 1 3 305.466 2.040 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCc2cn[nH]n2)CC1 ZINC000660007147 425713733 /nfs/dbraw/zinc/71/37/33/425713733.db2.gz HJNANWIKUVGYTQ-OAHLLOKOSA-N 1 3 305.470 2.324 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCc2cn[nH]n2)CC1 ZINC000660007147 425713734 /nfs/dbraw/zinc/71/37/34/425713734.db2.gz HJNANWIKUVGYTQ-OAHLLOKOSA-N 1 3 305.470 2.324 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc3c2CCNC3)C1 ZINC000662748118 425727879 /nfs/dbraw/zinc/72/78/79/425727879.db2.gz LWUPDGANJUBMTN-OAHLLOKOSA-N 1 3 315.461 2.136 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc3c2CCNC3)C1 ZINC000662748118 425727883 /nfs/dbraw/zinc/72/78/83/425727883.db2.gz LWUPDGANJUBMTN-OAHLLOKOSA-N 1 3 315.461 2.136 20 0 DEADHO [NH3+][C@H]1CCC[C@H](NCCOc2ncccc2C(F)(F)F)C1 ZINC000656198444 425730137 /nfs/dbraw/zinc/73/01/37/425730137.db2.gz XPGUUPCPESXJRW-QWRGUYRKSA-N 1 3 303.328 2.339 20 0 DEADHO CC(C)[C@@H](N)c1cn(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656468973 425776898 /nfs/dbraw/zinc/77/68/98/425776898.db2.gz XDIZCBYQTBJFKS-SJLPKXTDSA-N 1 3 313.449 2.456 20 0 DEADHO CC(C)[C@@H](N)c1cn(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656468973 425776901 /nfs/dbraw/zinc/77/69/01/425776901.db2.gz XDIZCBYQTBJFKS-SJLPKXTDSA-N 1 3 313.449 2.456 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000660286120 425784779 /nfs/dbraw/zinc/78/47/79/425784779.db2.gz UEXNAMOCYMCNGA-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO CCO[C@@H]1C[C@H](NC[C@@H](O)C[N@H+](C)C(C)C)C12CCCCC2 ZINC000660412035 425809838 /nfs/dbraw/zinc/80/98/38/425809838.db2.gz CSZWRDQUAKNIPU-IXDOHACOSA-N 1 3 312.498 2.405 20 0 DEADHO CCO[C@@H]1C[C@H](NC[C@@H](O)C[N@@H+](C)C(C)C)C12CCCCC2 ZINC000660412035 425809839 /nfs/dbraw/zinc/80/98/39/425809839.db2.gz CSZWRDQUAKNIPU-IXDOHACOSA-N 1 3 312.498 2.405 20 0 DEADHO CCO[C@@H]1C[C@@H](NC[C@@H](O)C[N@H+](C)C(C)C)C12CCCCC2 ZINC000660412033 425809936 /nfs/dbraw/zinc/80/99/36/425809936.db2.gz CSZWRDQUAKNIPU-BRWVUGGUSA-N 1 3 312.498 2.405 20 0 DEADHO CCO[C@@H]1C[C@@H](NC[C@@H](O)C[N@@H+](C)C(C)C)C12CCCCC2 ZINC000660412033 425809938 /nfs/dbraw/zinc/80/99/38/425809938.db2.gz CSZWRDQUAKNIPU-BRWVUGGUSA-N 1 3 312.498 2.405 20 0 DEADHO CC1(C)CCCN[C@@H]1C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662840588 425746009 /nfs/dbraw/zinc/74/60/09/425746009.db2.gz DAPXNIFJGUQWNW-JKSUJKDBSA-N 1 3 307.482 2.003 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662843785 425747854 /nfs/dbraw/zinc/74/78/54/425747854.db2.gz USNVSTXAWZUCHC-UXLLHSPISA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@@H](C(=O)Nc1ccc([C@@H]2CNCCO2)cc1)[NH+](CC)CC ZINC000662884114 425756233 /nfs/dbraw/zinc/75/62/33/425756233.db2.gz LWWKHLNZWABHIW-IRXDYDNUSA-N 1 3 319.449 2.406 20 0 DEADHO C[NH2+]CCc1ccccc1C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000662887551 425756842 /nfs/dbraw/zinc/75/68/42/425756842.db2.gz ZVLBFUZNNIGNOL-INIZCTEOSA-N 1 3 317.477 2.299 20 0 DEADHO CC(C)N(C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000660195674 425763725 /nfs/dbraw/zinc/76/37/25/425763725.db2.gz AQJYJYTXRIJMQP-YJBOKZPZSA-N 1 3 316.449 2.224 20 0 DEADHO CN1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000660472467 425819128 /nfs/dbraw/zinc/81/91/28/425819128.db2.gz LBQWGFFYGPJYKX-MSOLQXFVSA-N 1 3 309.498 2.048 20 0 DEADHO CN1CCCC[C@@H]1CC[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000660472467 425819130 /nfs/dbraw/zinc/81/91/30/425819130.db2.gz LBQWGFFYGPJYKX-MSOLQXFVSA-N 1 3 309.498 2.048 20 0 DEADHO C[NH+]1CCC(C)(CNC(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000333242505 268910957 /nfs/dbraw/zinc/91/09/57/268910957.db2.gz BHNOKQJSRRDCPF-UHFFFAOYSA-N 1 3 316.449 2.186 20 0 DEADHO [NH3+]CCCC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000370764089 269082739 /nfs/dbraw/zinc/08/27/39/269082739.db2.gz VJAPRFXCEDZPFB-IBGZPJMESA-N 1 3 315.461 2.240 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)[C@H](N)C1CCC1)c1ccccc1 ZINC000399077621 269110625 /nfs/dbraw/zinc/11/06/25/269110625.db2.gz QJSGNSDTNMHPPB-IAGOWNOFSA-N 1 3 303.450 2.313 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@H](N)C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000399073663 269110768 /nfs/dbraw/zinc/11/07/68/269110768.db2.gz OQMVJEFYGBLDQT-FHLIZLRMSA-N 1 3 315.461 2.283 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@H](N)C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000399073663 269110769 /nfs/dbraw/zinc/11/07/69/269110769.db2.gz OQMVJEFYGBLDQT-FHLIZLRMSA-N 1 3 315.461 2.283 20 0 DEADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH2+]C3CCNCC3)C[C@H]2C1 ZINC000401120930 269112075 /nfs/dbraw/zinc/11/20/75/269112075.db2.gz LLNPKCLQLCTGHW-OFQRWUPVSA-N 1 3 323.481 2.364 20 0 DEADHO CCC[N@H+](CC)CCNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433928254 269135685 /nfs/dbraw/zinc/13/56/85/269135685.db2.gz YBABSTLMCKATBH-INIZCTEOSA-N 1 3 310.486 2.034 20 0 DEADHO CCC[N@@H+](CC)CCNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433928254 269135686 /nfs/dbraw/zinc/13/56/86/269135686.db2.gz YBABSTLMCKATBH-INIZCTEOSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C)NC(=O)OC(C)(C)C ZINC000495813149 269178593 /nfs/dbraw/zinc/17/85/93/269178593.db2.gz FNXVWRHDCOOWFM-JKXDFHQYSA-N 1 3 311.470 2.457 20 0 DEADHO C[C@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C)NC(=O)OC(C)(C)C ZINC000495813149 269178595 /nfs/dbraw/zinc/17/85/95/269178595.db2.gz FNXVWRHDCOOWFM-JKXDFHQYSA-N 1 3 311.470 2.457 20 0 DEADHO C[C@@H](C[N@@H+]1CC[C@]2(C1)CCCN(C)C2)NC(=O)OC(C)(C)C ZINC000496558206 269229752 /nfs/dbraw/zinc/22/97/52/269229752.db2.gz GLOAIAGPKHGKJN-WMLDXEAASA-N 1 3 311.470 2.317 20 0 DEADHO C[C@@H](C[N@H+]1CC[C@]2(C1)CCCN(C)C2)NC(=O)OC(C)(C)C ZINC000496558206 269229753 /nfs/dbraw/zinc/22/97/53/269229753.db2.gz GLOAIAGPKHGKJN-WMLDXEAASA-N 1 3 311.470 2.317 20 0 DEADHO CCN1CC[C@@H](C[NH2+]C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000497048185 269281032 /nfs/dbraw/zinc/28/10/32/269281032.db2.gz UKRORZQIZHCSKX-AWEZNQCLSA-N 1 3 323.481 2.317 20 0 DEADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(N2CCOC2=O)c1 ZINC000497077154 269283687 /nfs/dbraw/zinc/28/36/87/269283687.db2.gz CVWPNZGYQOKPHB-CVEARBPZSA-N 1 3 303.406 2.393 20 0 DEADHO CCOC[C@@H](O)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499249991 269303928 /nfs/dbraw/zinc/30/39/28/269303928.db2.gz LADYKAQZOJBDAM-OKYOBFRVSA-N 1 3 318.461 2.169 20 0 DEADHO CCOC[C@@H](O)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499249991 269303929 /nfs/dbraw/zinc/30/39/29/269303929.db2.gz LADYKAQZOJBDAM-OKYOBFRVSA-N 1 3 318.461 2.169 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+][C@H]2CC[C@H](O)CC2)CC1 ZINC000513510613 269322612 /nfs/dbraw/zinc/32/26/12/269322612.db2.gz DZCVPESDMLEKTH-IYARVYRRSA-N 1 3 317.477 2.222 20 0 DEADHO OC[C@H](CC1CCC1)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000514854720 269333916 /nfs/dbraw/zinc/33/39/16/269333916.db2.gz CLXMZDUFRURLAE-VDZJLULYSA-N 1 3 316.445 2.383 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000517739155 269391259 /nfs/dbraw/zinc/39/12/59/269391259.db2.gz LKXFVKVHPUOAEW-HOTGVXAUSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](C(=O)N1C[C@H]([NH3+])Cc2ccccc21)[C@H](N)c1ccccc1 ZINC000424069307 274461107 /nfs/dbraw/zinc/46/11/07/274461107.db2.gz BQUCBJUAFQHPCD-XCRHUMRWSA-N 1 3 309.413 2.239 20 0 DEADHO O[C@@H]1C[NH2+]C[C@H]1CNCCCc1c(Cl)cccc1Cl ZINC000346022469 275054760 /nfs/dbraw/zinc/05/47/60/275054760.db2.gz VAVLSWMLUPVMTL-QMTHXVAHSA-N 1 3 303.233 2.096 20 0 DEADHO C(C[NH2+]C1CCCCCC1)N[C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000423283425 275393851 /nfs/dbraw/zinc/39/38/51/275393851.db2.gz WCZMNMQBLTZBHQ-KZNAEPCWSA-N 1 3 309.498 2.046 20 0 DEADHO CC(C)[C@H]1CCC[C@@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414200930 276027365 /nfs/dbraw/zinc/02/73/65/276027365.db2.gz SAOHOKBESNFBLF-MSOLQXFVSA-N 1 3 323.525 2.197 20 0 DEADHO CCN(CCNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)C1CC1 ZINC000105225032 276345972 /nfs/dbraw/zinc/34/59/72/276345972.db2.gz MAKUNCKLKJSLAC-KRWDZBQOSA-N 1 3 322.497 2.131 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+](C)[C@@H]2CCOC2)CC1 ZINC000132148537 276388445 /nfs/dbraw/zinc/38/84/45/276388445.db2.gz OGZTWICHWJYABX-QGZVFWFLSA-N 1 3 303.450 2.049 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+](C)[C@@H]2CCOC2)CC1 ZINC000132148537 276388446 /nfs/dbraw/zinc/38/84/46/276388446.db2.gz OGZTWICHWJYABX-QGZVFWFLSA-N 1 3 303.450 2.049 20 0 DEADHO C[C@@H](C(=O)N1CCCCCC1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261958433 277541118 /nfs/dbraw/zinc/54/11/18/277541118.db2.gz OHWJGVGSWSTAAC-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1C[C@H](CN2CCNC(=O)[C@H]2CC2CCCCC2)CC[NH2+]1 ZINC000422558552 278011492 /nfs/dbraw/zinc/01/14/92/278011492.db2.gz OLDJPDQECBVFRE-DJIMGWMZSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(O)CCOCC2)CC1 ZINC000305147676 278335460 /nfs/dbraw/zinc/33/54/60/278335460.db2.gz SFSAONVCRARPGO-RDJZCZTQSA-N 1 3 310.482 2.161 20 0 DEADHO C[C@H]1CCCC[C@@H]1N1CCC([NH2+]CC2(O)CCOCC2)CC1 ZINC000305147676 278335462 /nfs/dbraw/zinc/33/54/62/278335462.db2.gz SFSAONVCRARPGO-RDJZCZTQSA-N 1 3 310.482 2.161 20 0 DEADHO CC(C)(CNC(=O)N[C@H]1CCCC[C@H]1C[NH3+])N1CCCCC1 ZINC000416838786 278617885 /nfs/dbraw/zinc/61/78/85/278617885.db2.gz ZHDDTSOGSAWHCF-GJZGRUSLSA-N 1 3 310.486 2.068 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)C1 ZINC000177863461 279034870 /nfs/dbraw/zinc/03/48/70/279034870.db2.gz BSKDCLZXGGZKPL-ULQDDVLXSA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)C1 ZINC000177863461 279034871 /nfs/dbraw/zinc/03/48/71/279034871.db2.gz BSKDCLZXGGZKPL-ULQDDVLXSA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)C[C@H](C)N(C)C(=O)CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357084386 279098527 /nfs/dbraw/zinc/09/85/27/279098527.db2.gz QBPFWFGFZIULJY-DOTOQJQBSA-N 1 3 309.498 2.201 20 0 DEADHO CC[N@H+](CCNC(=O)N1CCN(CCC(C)(C)C)CC1)C1CC1 ZINC000338530869 279195332 /nfs/dbraw/zinc/19/53/32/279195332.db2.gz KHHKGQZPFOXAIS-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO CC[N@@H+](CCNC(=O)N1CCN(CCC(C)(C)C)CC1)C1CC1 ZINC000338530869 279195334 /nfs/dbraw/zinc/19/53/34/279195334.db2.gz KHHKGQZPFOXAIS-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO CCN1CCC(NC(=O)C[N@@H+]2CCC[C@@]2(C)CC(C)C)CC1 ZINC000451295257 279259547 /nfs/dbraw/zinc/25/95/47/279259547.db2.gz ZEYOTVDJVRLRHJ-SFHVURJKSA-N 1 3 309.498 2.488 20 0 DEADHO CCN1CCC(NC(=O)C[N@H+]2CCC[C@@]2(C)CC(C)C)CC1 ZINC000451295257 279259548 /nfs/dbraw/zinc/25/95/48/279259548.db2.gz ZEYOTVDJVRLRHJ-SFHVURJKSA-N 1 3 309.498 2.488 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000246814058 279272145 /nfs/dbraw/zinc/27/21/45/279272145.db2.gz DIEFTQOYMDZTLN-IAGOWNOFSA-N 1 3 324.513 2.138 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000246814058 279272146 /nfs/dbraw/zinc/27/21/46/279272146.db2.gz DIEFTQOYMDZTLN-IAGOWNOFSA-N 1 3 324.513 2.138 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C1CC(C)(C)C1 ZINC000351816564 279328942 /nfs/dbraw/zinc/32/89/42/279328942.db2.gz ZNWZDSRELHIQLJ-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C1CC(C)(C)C1 ZINC000351816564 279328943 /nfs/dbraw/zinc/32/89/43/279328943.db2.gz ZNWZDSRELHIQLJ-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000360132750 279361522 /nfs/dbraw/zinc/36/15/22/279361522.db2.gz ALMOONLGMICDPQ-HUUCEWRRSA-N 1 3 312.502 2.087 20 0 DEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000360132750 279361525 /nfs/dbraw/zinc/36/15/25/279361525.db2.gz ALMOONLGMICDPQ-HUUCEWRRSA-N 1 3 312.502 2.087 20 0 DEADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@@H](C)N2CCC(C)CC2)CC1 ZINC000111843233 279605460 /nfs/dbraw/zinc/60/54/60/279605460.db2.gz TVZSECKBUOGMRQ-MRXNPFEDSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N(C)C ZINC000126500713 280157888 /nfs/dbraw/zinc/15/78/88/280157888.db2.gz JUDGKIPEFNULMB-DJIMGWMZSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N(C)C ZINC000126500713 280157890 /nfs/dbraw/zinc/15/78/90/280157890.db2.gz JUDGKIPEFNULMB-DJIMGWMZSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)[C@H](C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1)N(C)C ZINC000471797081 280169127 /nfs/dbraw/zinc/16/91/27/280169127.db2.gz HHIJBECWAFEUFR-HRCADAONSA-N 1 3 311.514 2.445 20 0 DEADHO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc2c(c1)CNC2 ZINC000415996386 281189974 /nfs/dbraw/zinc/18/99/74/281189974.db2.gz MPYPDVKWNFOONH-DLBZAZTESA-N 1 3 314.433 2.380 20 0 DEADHO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc2c(c1)CNC2 ZINC000415996386 281189978 /nfs/dbraw/zinc/18/99/78/281189978.db2.gz MPYPDVKWNFOONH-DLBZAZTESA-N 1 3 314.433 2.380 20 0 DEADHO CCc1ccc([C@H](CNC(=O)CC2(C[NH3+])CC2)N(C)C)cc1 ZINC000423298501 281425934 /nfs/dbraw/zinc/42/59/34/281425934.db2.gz AHMCUOORFIMIOA-INIZCTEOSA-N 1 3 303.450 2.097 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc2c(c1)CCCC2 ZINC000103211876 281651570 /nfs/dbraw/zinc/65/15/70/281651570.db2.gz LUYWBCLOJOREQC-UHFFFAOYSA-N 1 3 317.477 2.131 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@@H](C[NH3+])C(C)C)N(C)C)cc1 ZINC000433133162 288562245 /nfs/dbraw/zinc/56/22/45/288562245.db2.gz DFNIYKHFINSGBD-IRXDYDNUSA-N 1 3 305.466 2.199 20 0 DEADHO C[C@@H]1[C@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CCCN1C ZINC000345758726 289051216 /nfs/dbraw/zinc/05/12/16/289051216.db2.gz UAXPJTXCLRUEOU-NVXWUHKLSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H]1[C@H](NC(=O)N2CCC[N@H+](C3CCCC3)CC2)CCCN1C ZINC000345758726 289051218 /nfs/dbraw/zinc/05/12/18/289051218.db2.gz UAXPJTXCLRUEOU-NVXWUHKLSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H](C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)N1[C@H](C)CC[C@@H]1C ZINC000413634343 289280105 /nfs/dbraw/zinc/28/01/05/289280105.db2.gz XDWQUWPOJYCARX-ALYAQQCSSA-N 1 3 307.482 2.190 20 0 DEADHO C[C@H](C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)N1[C@H](C)CC[C@@H]1C ZINC000413634343 289280106 /nfs/dbraw/zinc/28/01/06/289280106.db2.gz XDWQUWPOJYCARX-ALYAQQCSSA-N 1 3 307.482 2.190 20 0 DEADHO C[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)N1CCCCCC1 ZINC000356306958 289304305 /nfs/dbraw/zinc/30/43/05/289304305.db2.gz XQHQMMDBQKHNII-SJLPKXTDSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)N1CCCCCC1 ZINC000356306958 289304309 /nfs/dbraw/zinc/30/43/09/289304309.db2.gz XQHQMMDBQKHNII-SJLPKXTDSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@H](CC(=O)N1CC[C@@H](N2CCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000262332590 289419298 /nfs/dbraw/zinc/41/92/98/289419298.db2.gz SQBPYPCVVWNBIN-IXDOHACOSA-N 1 3 307.482 2.099 20 0 DEADHO COc1ccc(CCN[C@H](C)C[C@H]2CCC[NH2+]2)c(OC)c1OC ZINC000415087005 295121675 /nfs/dbraw/zinc/12/16/75/295121675.db2.gz SOKRTFQWVURSJS-UKRRQHHQSA-N 1 3 322.449 2.375 20 0 DEADHO [NH3+]CCCCNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000417316861 295228455 /nfs/dbraw/zinc/22/84/55/295228455.db2.gz GOFOPEKKVMZYGM-KRWDZBQOSA-N 1 3 318.465 2.079 20 0 DEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCc1nnc2n1CCCCC2 ZINC000422927289 295250877 /nfs/dbraw/zinc/25/08/77/295250877.db2.gz YQBOUPLXDOGGIS-LSDHHAIUSA-N 1 3 305.470 2.044 20 0 DEADHO N[C@@H]1CCC[C@H]1[NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000422811607 295315488 /nfs/dbraw/zinc/31/54/88/295315488.db2.gz UTKICQXRMCHQFY-BRWVUGGUSA-N 1 3 323.868 2.183 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000423418543 295330158 /nfs/dbraw/zinc/33/01/58/295330158.db2.gz HOEFWHRKLDFYIE-DLBZAZTESA-N 1 3 307.482 2.228 20 0 DEADHO C[C@H](C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1)N1CCCCCC1 ZINC000423958372 298021692 /nfs/dbraw/zinc/02/16/92/298021692.db2.gz BARNWHCSXCKZKC-IXDOHACOSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000416835673 298396729 /nfs/dbraw/zinc/39/67/29/298396729.db2.gz FUJQWBDWAOCRSV-KGLIPLIRSA-N 1 3 324.494 2.312 20 0 DEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCN(C(=O)C1CCC1)C1CC1 ZINC000422957332 303399769 /nfs/dbraw/zinc/39/97/69/303399769.db2.gz NIHSAZPQVRCLJN-RDJZCZTQSA-N 1 3 307.482 2.275 20 0 DEADHO N[C@@H](CC1CCCCC1)C(=O)NC1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000423458449 303448230 /nfs/dbraw/zinc/44/82/30/303448230.db2.gz JWNSKZQORMYYJJ-YKDOHLLJSA-N 1 3 307.482 2.306 20 0 DEADHO [NH3+]CCCN(CC1CCCC1)C(=O)[C@@H]1CNCc2ccccc21 ZINC000567836207 325867200 /nfs/dbraw/zinc/86/72/00/325867200.db2.gz KPXZNPGOQJMPIM-GOSISDBHSA-N 1 3 315.461 2.241 20 0 DEADHO CCc1cccc(CNC2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000573096693 326023490 /nfs/dbraw/zinc/02/34/90/326023490.db2.gz GELGPHXXXNKSTP-UHFFFAOYSA-N 1 3 317.477 2.281 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)CC1 ZINC000574635022 326173007 /nfs/dbraw/zinc/17/30/07/326173007.db2.gz XBGACFBXJBRZLN-MOPGFXCFSA-N 1 3 323.525 2.294 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)CC1 ZINC000574635022 326173008 /nfs/dbraw/zinc/17/30/08/326173008.db2.gz XBGACFBXJBRZLN-MOPGFXCFSA-N 1 3 323.525 2.294 20 0 DEADHO CCC[N@@H+]1CC[C@H](CNCCC(=O)Nc2cccc(F)c2)C1 ZINC000574983093 326207077 /nfs/dbraw/zinc/20/70/77/326207077.db2.gz XSGUCLIGMSACPY-CQSZACIVSA-N 1 3 307.413 2.476 20 0 DEADHO CCC[N@H+]1CC[C@H](CNCCC(=O)Nc2cccc(F)c2)C1 ZINC000574983093 326207079 /nfs/dbraw/zinc/20/70/79/326207079.db2.gz XSGUCLIGMSACPY-CQSZACIVSA-N 1 3 307.413 2.476 20 0 DEADHO CCCN1CC[C@H](C[NH2+]CCC(=O)Nc2cccc(F)c2)C1 ZINC000574983093 326207083 /nfs/dbraw/zinc/20/70/83/326207083.db2.gz XSGUCLIGMSACPY-CQSZACIVSA-N 1 3 307.413 2.476 20 0 DEADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@H]1CCCCN1CC ZINC000575179712 326225883 /nfs/dbraw/zinc/22/58/83/326225883.db2.gz KHHGFSQQCZWNNO-IAGOWNOFSA-N 1 3 303.450 2.239 20 0 DEADHO CCC[N@@H+](Cc1ccc(C)cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000576009949 326263299 /nfs/dbraw/zinc/26/32/99/326263299.db2.gz SNKCFKXDMOIKQP-GOSISDBHSA-N 1 3 317.477 2.404 20 0 DEADHO CCC[N@H+](Cc1ccc(C)cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000576009949 326263301 /nfs/dbraw/zinc/26/33/01/326263301.db2.gz SNKCFKXDMOIKQP-GOSISDBHSA-N 1 3 317.477 2.404 20 0 DEADHO CC(C)OCc1ccccc1CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000576099477 326269018 /nfs/dbraw/zinc/26/90/18/326269018.db2.gz SPGWRVBZTDZKLB-JCGIZDLHSA-N 1 3 306.450 2.454 20 0 DEADHO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000576118404 326271211 /nfs/dbraw/zinc/27/12/11/326271211.db2.gz JYWYHSHABDLAKX-QAPCUYQASA-N 1 3 315.461 2.237 20 0 DEADHO CN1[C@@H]2CC[C@H]1CN(C(=O)c1ccc(CC[NH+](C)C)cc1)CC2 ZINC000576412384 326292553 /nfs/dbraw/zinc/29/25/53/326292553.db2.gz YGRHUBYDESTFHY-MSOLQXFVSA-N 1 3 315.461 2.099 20 0 DEADHO C[N@H+](C[C@@H](O)CNCCn1ccc2cc(Cl)ccc21)C1CC1 ZINC000576746442 326315565 /nfs/dbraw/zinc/31/55/65/326315565.db2.gz IBTFZQIATBMASA-INIZCTEOSA-N 1 3 321.852 2.339 20 0 DEADHO C[N@@H+](C[C@@H](O)CNCCn1ccc2cc(Cl)ccc21)C1CC1 ZINC000576746442 326315567 /nfs/dbraw/zinc/31/55/67/326315567.db2.gz IBTFZQIATBMASA-INIZCTEOSA-N 1 3 321.852 2.339 20 0 DEADHO O[C@@H](CNC1CC[NH+](C2CCC2)CC1)COCc1ccccc1 ZINC000580305405 333084710 /nfs/dbraw/zinc/08/47/10/333084710.db2.gz AQNFGMQHQLLHAG-IBGZPJMESA-N 1 3 318.461 2.171 20 0 DEADHO COc1cccc([C@H](CN[C@H]2CCC[C@@H]2[NH3+])N2CCCC2)c1 ZINC000582116298 333290189 /nfs/dbraw/zinc/29/01/89/333290189.db2.gz QDCILICFYFUWPP-BZSNNMDCSA-N 1 3 303.450 2.302 20 0 DEADHO COc1cccc([C@H](C[NH2+][C@H]2CCC[C@@H]2N)N2CCCC2)c1 ZINC000582116298 333290191 /nfs/dbraw/zinc/29/01/91/333290191.db2.gz QDCILICFYFUWPP-BZSNNMDCSA-N 1 3 303.450 2.302 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)CC2(N(C)C)CCC2)C1 ZINC000189986283 336258400 /nfs/dbraw/zinc/25/84/00/336258400.db2.gz WNNNGOJQKFNMDR-MRXNPFEDSA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N(C)CC2(N(C)C)CCC2)C1 ZINC000189986283 336258401 /nfs/dbraw/zinc/25/84/01/336258401.db2.gz WNNNGOJQKFNMDR-MRXNPFEDSA-N 1 3 324.513 2.090 20 0 DEADHO COc1ccc([C@@H](C)[NH2+]CCCCN2CCN(C)CC2)cc1O ZINC000582456106 337066575 /nfs/dbraw/zinc/06/65/75/337066575.db2.gz BFLFRACSKFVXPD-OAHLLOKOSA-N 1 3 321.465 2.079 20 0 DEADHO C[C@H](CC(=O)Nc1cccc2c1CCNC2)[C@H]1CCC[NH2+]C1 ZINC000583252340 337290032 /nfs/dbraw/zinc/29/00/32/337290032.db2.gz CGWUTKNHIVSENE-KGLIPLIRSA-N 1 3 301.434 2.297 20 0 DEADHO N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000583747058 337328590 /nfs/dbraw/zinc/32/85/90/337328590.db2.gz RFHLAMUYEHEWRY-ZWKOTPCHSA-N 1 3 304.434 2.352 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000583861345 337353324 /nfs/dbraw/zinc/35/33/24/337353324.db2.gz QKWQCXDZGOWLAI-PBHICJAKSA-N 1 3 303.450 2.145 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000583861346 337353405 /nfs/dbraw/zinc/35/34/05/337353405.db2.gz QKWQCXDZGOWLAI-RHSMWYFYSA-N 1 3 303.450 2.145 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000584528269 337356292 /nfs/dbraw/zinc/35/62/92/337356292.db2.gz KVWWYYFEMHJUKY-BRWVUGGUSA-N 1 3 307.482 2.097 20 0 DEADHO OC1(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)CCC1 ZINC000577602090 341922158 /nfs/dbraw/zinc/92/21/58/341922158.db2.gz RXYAJBWPSPJBJW-UHFFFAOYSA-N 1 3 317.477 2.093 20 0 DEADHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1cccc(F)c1 ZINC001378307325 1152286355 /nfs/dbraw/zinc/28/63/55/1152286355.db2.gz YEFLFQCFNJZAAF-RHSMWYFYSA-N 1 3 321.440 2.152 20 0 DEADHO CC[C@H](F)CN(C)C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001398467014 1160899507 /nfs/dbraw/zinc/89/95/07/1160899507.db2.gz DAHYDGULXQIOOS-HOTGVXAUSA-N 1 3 315.477 2.247 20 0 DEADHO C[C@H](NC(=O)C(C)(C)N1CCCC1)C1C[NH+](CC2CCCC2)C1 ZINC001378538259 1152367615 /nfs/dbraw/zinc/36/76/15/1152367615.db2.gz YEBSRQKNZWXIJW-HNNXBMFYSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000443077662 533726312 /nfs/dbraw/zinc/72/63/12/533726312.db2.gz VDONSZBSLGJIFB-JYJNAYRXSA-N 1 3 303.450 2.313 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)CCC)C[C@H]2C1 ZINC001378778977 1152443966 /nfs/dbraw/zinc/44/39/66/1152443966.db2.gz HTTBEDOABGLXBT-ULQDDVLXSA-N 1 3 309.498 2.345 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)CCC)C[C@H]2C1 ZINC001378778977 1152443971 /nfs/dbraw/zinc/44/39/71/1152443971.db2.gz HTTBEDOABGLXBT-ULQDDVLXSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](CCC[NH3+])NCc1cn2cc(Br)ccc2n1 ZINC000422734586 533872341 /nfs/dbraw/zinc/87/23/41/533872341.db2.gz UBQUTSTWZJEUCV-SNVBAGLBSA-N 1 3 311.227 2.314 20 0 DEADHO C[C@H](CCC[NH3+])N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000423039606 533873381 /nfs/dbraw/zinc/87/33/81/533873381.db2.gz FRRKXFKKNAXORO-QMTHXVAHSA-N 1 3 313.804 2.301 20 0 DEADHO COc1cc(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])c2ccccc2n1 ZINC000423011127 533899483 /nfs/dbraw/zinc/89/94/83/533899483.db2.gz ZBURJYLUEZTETE-UHOFOFEASA-N 1 3 315.417 2.085 20 0 DEADHO C[C@@H](CNC(=O)NCC[NH2+]C1CCCCCC1)N(C)C1CC1 ZINC000417538717 533956252 /nfs/dbraw/zinc/95/62/52/533956252.db2.gz DVJATFAYOUAIJF-AWEZNQCLSA-N 1 3 310.486 2.081 20 0 DEADHO C[C@@H](C[NH2+]CCN1CCN(C)C(C)(C)C1)CC1CCOCC1 ZINC000441349586 534056488 /nfs/dbraw/zinc/05/64/88/534056488.db2.gz GEQYOULLIMRXNO-MRXNPFEDSA-N 1 3 311.514 2.055 20 0 DEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000423063184 534068632 /nfs/dbraw/zinc/06/86/32/534068632.db2.gz VWWVLJXJHTWPLF-MQYQWHSLSA-N 1 3 308.388 2.448 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCc1nccn1Cc1ccccc1 ZINC000422819908 534069926 /nfs/dbraw/zinc/06/99/26/534069926.db2.gz OFYFDUWCWNFETO-AEFFLSMTSA-N 1 3 312.461 2.452 20 0 DEADHO C[C@@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)N1CCc2sccc2C1 ZINC000422713547 534078344 /nfs/dbraw/zinc/07/83/44/534078344.db2.gz KAEPWQGKJFYOPM-IJEWVQPXSA-N 1 3 307.507 2.472 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@@H]1NCCCOCCOCc1ccccc1 ZINC000423042018 534083650 /nfs/dbraw/zinc/08/36/50/534083650.db2.gz KFCLUFPYUBDMJY-AEFFLSMTSA-N 1 3 306.450 2.198 20 0 DEADHO C[C@H](CNC(=O)N(CCC[NH3+])Cc1ccccc1)N(C)C1CC1 ZINC000417551870 534084873 /nfs/dbraw/zinc/08/48/73/534084873.db2.gz PCNLBVUDHCBERJ-OAHLLOKOSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NC(C)(C)C[NH3+])CC1 ZINC000417687414 534104726 /nfs/dbraw/zinc/10/47/26/534104726.db2.gz HWCXRGOVVVTORT-AWEZNQCLSA-N 1 3 318.465 2.249 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NCCCC[NH3+])CC1 ZINC000417677516 534107499 /nfs/dbraw/zinc/10/74/99/534107499.db2.gz FVWPGTWVYYIGTE-HNNXBMFYSA-N 1 3 318.465 2.250 20 0 DEADHO COc1ccccc1N1CC[C@H](CN[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422849877 534151331 /nfs/dbraw/zinc/15/13/31/534151331.db2.gz MMMDODLOISNNHM-ARFHVFGLSA-N 1 3 303.450 2.109 20 0 DEADHO COc1ccccc1N1CC[C@H](N[C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422880613 534156252 /nfs/dbraw/zinc/15/62/52/534156252.db2.gz XBBJWNJAULJECK-OWCLPIDISA-N 1 3 303.450 2.252 20 0 DEADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](CO)Cc1ccccc1 ZINC000422766956 534180567 /nfs/dbraw/zinc/18/05/67/534180567.db2.gz RNZDASSGACEROT-PWIZWCRZSA-N 1 3 312.457 2.386 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)N(CCC[NH3+])Cc2ccccc2)CCCN1C ZINC000418005022 534241358 /nfs/dbraw/zinc/24/13/58/534241358.db2.gz ORQBAPHQEKFBOS-WBVHZDCISA-N 1 3 318.465 2.030 20 0 DEADHO CC(C)(CNC(=O)NCCN1CCCCC1)[NH+]1CCCCC1 ZINC000339349635 519251803 /nfs/dbraw/zinc/25/18/03/519251803.db2.gz SZHBFVUPPKSPMW-UHFFFAOYSA-N 1 3 310.486 2.036 20 0 DEADHO CC(C)[N@H+](C)CCNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000111494124 519620404 /nfs/dbraw/zinc/62/04/04/519620404.db2.gz LRUYBXNOJVLMLG-MRXNPFEDSA-N 1 3 320.481 2.146 20 0 DEADHO CC(C)[N@@H+](C)CCNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000111494124 519620409 /nfs/dbraw/zinc/62/04/09/519620409.db2.gz LRUYBXNOJVLMLG-MRXNPFEDSA-N 1 3 320.481 2.146 20 0 DEADHO CCN(C)C(=O)CCN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000130569339 520140754 /nfs/dbraw/zinc/14/07/54/520140754.db2.gz LVEYMGDRVJNRMW-GOSISDBHSA-N 1 3 317.477 2.309 20 0 DEADHO CCN(C)C(=O)CCN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000130569339 520140761 /nfs/dbraw/zinc/14/07/61/520140761.db2.gz LVEYMGDRVJNRMW-GOSISDBHSA-N 1 3 317.477 2.309 20 0 DEADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000338472480 520716419 /nfs/dbraw/zinc/71/64/19/520716419.db2.gz YPGAGPAKFAQSNM-HZPDHXFCSA-N 1 3 312.502 2.136 20 0 DEADHO CCN(CCNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)C1CC1 ZINC000338473366 521061023 /nfs/dbraw/zinc/06/10/23/521061023.db2.gz CRRLQTMLVRBNJU-GJZGRUSLSA-N 1 3 310.486 2.033 20 0 DEADHO CCN(CCNC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000338473366 521061031 /nfs/dbraw/zinc/06/10/31/521061031.db2.gz CRRLQTMLVRBNJU-GJZGRUSLSA-N 1 3 310.486 2.033 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000111883460 521593928 /nfs/dbraw/zinc/59/39/28/521593928.db2.gz QLALIHLZWXENBF-NVXWUHKLSA-N 1 3 322.497 2.177 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000111883460 521593932 /nfs/dbraw/zinc/59/39/32/521593932.db2.gz QLALIHLZWXENBF-NVXWUHKLSA-N 1 3 322.497 2.177 20 0 DEADHO N[C@@H]1CCC[C@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422723752 534715908 /nfs/dbraw/zinc/71/59/08/534715908.db2.gz SIGFKLOFXWUJPQ-IAGOWNOFSA-N 1 3 309.404 2.399 20 0 DEADHO [NH3+][C@@H]1CCC[C@H]1NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422723752 534715915 /nfs/dbraw/zinc/71/59/15/534715915.db2.gz SIGFKLOFXWUJPQ-IAGOWNOFSA-N 1 3 309.404 2.399 20 0 DEADHO C[C@@H](CCc1c(F)cccc1F)[NH2+]CC1(O)CCN(C)CC1 ZINC000337995266 524520682 /nfs/dbraw/zinc/52/06/82/524520682.db2.gz LMPXQMBWFMCLEO-ZDUSSCGKSA-N 1 3 312.404 2.332 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(C)CCN2CCCC2)C1 ZINC000112743149 525207865 /nfs/dbraw/zinc/20/78/65/525207865.db2.gz BKAOUVGXWLBDEZ-IAGOWNOFSA-N 1 3 324.513 2.092 20 0 DEADHO [NH3+]CCCOC1CCN(Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000339406280 527182425 /nfs/dbraw/zinc/18/24/25/527182425.db2.gz DNORDFIJPJMMEN-UHFFFAOYSA-N 1 3 320.462 2.468 20 0 DEADHO CC(C)(C(=O)NC[C@@]1(C)CCC[NH2+]C1)[C@H](N)c1ccccc1 ZINC000417808041 527524276 /nfs/dbraw/zinc/52/42/76/527524276.db2.gz KVGAXWBOMLJDNL-QAPCUYQASA-N 1 3 303.450 2.219 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2C[C@@H](O)C(C)(C)C2)CC1 ZINC000448358308 527711708 /nfs/dbraw/zinc/71/17/08/527711708.db2.gz CDESGQSDQQPSKS-GOSISDBHSA-N 1 3 317.477 2.031 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2C[C@@H](O)C(C)(C)C2)CC1 ZINC000448358308 527711714 /nfs/dbraw/zinc/71/17/14/527711714.db2.gz CDESGQSDQQPSKS-GOSISDBHSA-N 1 3 317.477 2.031 20 0 DEADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000448253928 527732337 /nfs/dbraw/zinc/73/23/37/527732337.db2.gz ZEUWKQIQFZOQOL-INIZCTEOSA-N 1 3 324.513 2.279 20 0 DEADHO CCCN(C(=O)NCCN1CCCC[C@H]1CC)C1CC[NH2+]CC1 ZINC000417694337 527753120 /nfs/dbraw/zinc/75/31/20/527753120.db2.gz CZCCAAVVEOBZBM-MRXNPFEDSA-N 1 3 324.513 2.425 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418427529 528082365 /nfs/dbraw/zinc/08/23/65/528082365.db2.gz OFBZDFVZFGWABL-IRXDYDNUSA-N 1 3 324.513 2.411 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418550082 528083134 /nfs/dbraw/zinc/08/31/34/528083134.db2.gz SWPFCHGWUZQFRJ-GOSISDBHSA-N 1 3 324.513 2.284 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)NC[C@@H]([NH3+])C(C)C)cc1 ZINC000418357194 528132374 /nfs/dbraw/zinc/13/23/74/528132374.db2.gz QQDNZJFSWXMRMJ-CVEARBPZSA-N 1 3 306.454 2.092 20 0 DEADHO CCN(CC)[C@H](CNC(=O)CC1(C[NH3+])CC1)c1ccccc1 ZINC000422712507 528269785 /nfs/dbraw/zinc/26/97/85/528269785.db2.gz GRXSRVYGQSAAOJ-MRXNPFEDSA-N 1 3 303.450 2.315 20 0 DEADHO CC[NH2+]CC1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000418116923 528283804 /nfs/dbraw/zinc/28/38/04/528283804.db2.gz RBPKXENMXWBJBS-QGZVFWFLSA-N 1 3 322.497 2.034 20 0 DEADHO CCC[NH2+]CCNC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418487741 528504684 /nfs/dbraw/zinc/50/46/84/528504684.db2.gz JAISEBAYQKQUEB-QGZVFWFLSA-N 1 3 314.433 2.138 20 0 DEADHO CC(C)C[C@H](C[NH3+])NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000418440512 528507754 /nfs/dbraw/zinc/50/77/54/528507754.db2.gz KVVZXNCNAVNCCQ-OAHLLOKOSA-N 1 3 324.469 2.116 20 0 DEADHO CC(C)[C@@H]([NH3+])CNC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000418384322 528520876 /nfs/dbraw/zinc/52/08/76/528520876.db2.gz KEEGHVOWTQXPQM-INIZCTEOSA-N 1 3 320.481 2.180 20 0 DEADHO CCOC(=O)C1([C@H](C)N[C@@H](C)c2cncc(F)c2)CC[NH2+]CC1 ZINC000423035276 528613101 /nfs/dbraw/zinc/61/31/01/528613101.db2.gz RKZMUCNZYMRTQB-STQMWFEESA-N 1 3 323.412 2.193 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@H](C)C[NH2+]C ZINC000418366335 528778886 /nfs/dbraw/zinc/77/88/86/528778886.db2.gz FQEAKUQGCFDWKV-OAHLLOKOSA-N 1 3 320.481 2.135 20 0 DEADHO CCC([NH3+])(CC)CNC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000418435013 528927533 /nfs/dbraw/zinc/92/75/33/528927533.db2.gz GVLAKLZQDLSEFH-UHFFFAOYSA-N 1 3 320.481 2.277 20 0 DEADHO CCN1CCCN(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000428704852 529028762 /nfs/dbraw/zinc/02/87/62/529028762.db2.gz ZZTUGEDKUHXUKT-YESZJQIVSA-N 1 3 324.513 2.090 20 0 DEADHO CCN1CCN(Cc2ccc(N[C@@H]3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000422924221 529149436 /nfs/dbraw/zinc/14/94/36/529149436.db2.gz TUXRVZWVKXRJFF-IEBWSBKVSA-N 1 3 316.493 2.363 20 0 DEADHO CC[C@@H](C)CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000422203413 529321766 /nfs/dbraw/zinc/32/17/66/529321766.db2.gz IIAUHWNXYVQMRE-CVEARBPZSA-N 1 3 312.502 2.090 20 0 DEADHO CC[C@@H](C)CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000422203413 529321768 /nfs/dbraw/zinc/32/17/68/529321768.db2.gz IIAUHWNXYVQMRE-CVEARBPZSA-N 1 3 312.502 2.090 20 0 DEADHO CCCc1cccc(C[NH2+]CCCN2CCC[C@H](C(N)=O)C2)c1 ZINC000359085340 535432909 /nfs/dbraw/zinc/43/29/09/535432909.db2.gz SMQKEENEZZFUJT-SFHVURJKSA-N 1 3 317.477 2.316 20 0 DEADHO CC[NH2+]CC1CCN(Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000347210056 535459590 /nfs/dbraw/zinc/45/95/90/535459590.db2.gz OOWQXPMSVXMLBT-UHFFFAOYSA-N 1 3 313.449 2.304 20 0 DEADHO CCN(Cc1ccc(C(=O)NCCC[NH+](C)C)cc1)C1CC1 ZINC000358821511 535782875 /nfs/dbraw/zinc/78/28/75/535782875.db2.gz NKESJDYZSJUATE-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000449118242 536407055 /nfs/dbraw/zinc/40/70/55/536407055.db2.gz XDYXQMHRMDIGKT-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000449073192 536408279 /nfs/dbraw/zinc/40/82/79/536408279.db2.gz RGRCHTGKVOPVIG-MRXNPFEDSA-N 1 3 305.466 2.389 20 0 DEADHO CO[C@]1(C)C[C@H]([NH2+]CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000451495669 536839940 /nfs/dbraw/zinc/83/99/40/536839940.db2.gz TWRBSZYMZRFLAO-FUHWJXTLSA-N 1 3 311.514 2.196 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCCN2C)cc1F ZINC001379109291 1152570608 /nfs/dbraw/zinc/57/06/08/1152570608.db2.gz TWLGYGIOPUWIHL-RHSMWYFYSA-N 1 3 321.440 2.165 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccc(F)cc1)N(C)C ZINC001379555197 1152641988 /nfs/dbraw/zinc/64/19/88/1152641988.db2.gz ZSKUEMIRBRCBSP-ZENOOKHLSA-N 1 3 309.429 2.321 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)CNCc1ccccc1F)[NH+](C)C ZINC001379581470 1152646392 /nfs/dbraw/zinc/64/63/92/1152646392.db2.gz WKENAIOQHAPJEK-XJKSGUPXSA-N 1 3 309.429 2.006 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+]1CCC1CCCC1)N(C)C ZINC001380021390 1152732690 /nfs/dbraw/zinc/73/26/90/1152732690.db2.gz PHONJPGLQXDRCT-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824577301 609167438 /nfs/dbraw/zinc/16/74/38/609167438.db2.gz JMMOBGOKBCCARV-CYBMUJFWSA-N 1 3 314.437 2.249 20 0 DEADHO C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824577301 609167440 /nfs/dbraw/zinc/16/74/40/609167440.db2.gz JMMOBGOKBCCARV-CYBMUJFWSA-N 1 3 314.437 2.249 20 0 DEADHO CC[C@@H](F)CN(C)CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001380991428 1152890358 /nfs/dbraw/zinc/89/03/58/1152890358.db2.gz ZAJWVZWHGHYZDH-CVEARBPZSA-N 1 3 315.477 2.389 20 0 DEADHO CC[C@@H](F)CN(C)CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001380991428 1152890360 /nfs/dbraw/zinc/89/03/60/1152890360.db2.gz ZAJWVZWHGHYZDH-CVEARBPZSA-N 1 3 315.477 2.389 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC001362630369 1153017513 /nfs/dbraw/zinc/01/75/13/1153017513.db2.gz FKLOISPGYSODMM-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CCN1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001362980080 1153170479 /nfs/dbraw/zinc/17/04/79/1153170479.db2.gz VDDUUXXSVNIFCK-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001381924666 1153275381 /nfs/dbraw/zinc/27/53/81/1153275381.db2.gz HRSRVEIIRKNOTL-HRCADAONSA-N 1 3 309.498 2.201 20 0 DEADHO CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001381924666 1153275385 /nfs/dbraw/zinc/27/53/85/1153275385.db2.gz HRSRVEIIRKNOTL-HRCADAONSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([N@H+](C)CC2CC(C)C2)CC1 ZINC001381989131 1153306794 /nfs/dbraw/zinc/30/67/94/1153306794.db2.gz PMRWIQYSQMFCCT-UHFFFAOYSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([N@@H+](C)CC2CC(C)C2)CC1 ZINC001381989131 1153306796 /nfs/dbraw/zinc/30/67/96/1153306796.db2.gz PMRWIQYSQMFCCT-UHFFFAOYSA-N 1 3 309.498 2.296 20 0 DEADHO CC1(C)C[C@@H](N[C@@H]2CCN(C(=O)C3CCCC3)C2)C[C@@H]([NH3+])C1 ZINC000925559797 625366857 /nfs/dbraw/zinc/36/68/57/625366857.db2.gz KADMWGCOMMEXLQ-OAGGEKHMSA-N 1 3 307.482 2.273 20 0 DEADHO CC(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]21 ZINC001026385861 625394147 /nfs/dbraw/zinc/39/41/47/625394147.db2.gz IGNPZDUITYZWCF-OKZBNKHCSA-N 1 3 321.509 2.201 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC2CCC([NH2+]CCC3CC3)CC2)C1 ZINC001026561317 625523579 /nfs/dbraw/zinc/52/35/79/625523579.db2.gz VUJFQUWZPIJKNN-ODIFPOPNSA-N 1 3 307.482 2.145 20 0 DEADHO COCC1(C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CCOCC1 ZINC000925675348 625592872 /nfs/dbraw/zinc/59/28/72/625592872.db2.gz WEZHMWLEKHYWRC-DLBZAZTESA-N 1 3 310.482 2.188 20 0 DEADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)c1cccc(F)c1 ZINC000969588384 622831613 /nfs/dbraw/zinc/83/16/13/622831613.db2.gz JFTKOEKGXSKXFK-KBRIMQKVSA-N 1 3 319.424 2.171 20 0 DEADHO CCN1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000969680432 622880041 /nfs/dbraw/zinc/88/00/41/622880041.db2.gz LSKHICXBPSRYOD-GJZGRUSLSA-N 1 3 307.482 2.097 20 0 DEADHO CCN1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000969680432 622880044 /nfs/dbraw/zinc/88/00/44/622880044.db2.gz LSKHICXBPSRYOD-GJZGRUSLSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC000969844028 622947280 /nfs/dbraw/zinc/94/72/80/622947280.db2.gz BRWFKRIJNFMTBT-HZPDHXFCSA-N 1 3 309.498 2.199 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CC3CCCCC3)C2)C1 ZINC000969956475 623022658 /nfs/dbraw/zinc/02/26/58/623022658.db2.gz WXSJLIRPEQRFPH-NVXWUHKLSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1 ZINC001021091877 623336337 /nfs/dbraw/zinc/33/63/37/623336337.db2.gz YUKYATLOWQZPDU-KPOQHDDYSA-N 1 3 315.461 2.296 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC2CC2)C1 ZINC000970530405 623522512 /nfs/dbraw/zinc/52/25/12/623522512.db2.gz ZBJFBGNCIPIZIG-RHSMWYFYSA-N 1 3 307.482 2.096 20 0 DEADHO CC1CCN(CC(=O)N2CCC[C@H](C[NH2+]CC3CCC3)C2)CC1 ZINC001024211573 625666102 /nfs/dbraw/zinc/66/61/02/625666102.db2.gz DBEBCDBTIWIBJN-GOSISDBHSA-N 1 3 321.509 2.347 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NC/C=C\Cl)CC2)CC1 ZINC000891203161 623700055 /nfs/dbraw/zinc/70/00/55/623700055.db2.gz PTMSOUWHNSYPOF-BAQGIRSFSA-N 1 3 313.873 2.051 20 0 DEADHO CC(C)([NH3+])CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000891321807 624001208 /nfs/dbraw/zinc/00/12/08/624001208.db2.gz CRPDHLQHZPCNEN-ZDUSSCGKSA-N 1 3 324.494 2.312 20 0 DEADHO C([C@@H]1CC[C@H](C2CC2)O1)[NH+]1CCC(N2CCCOCC2)CC1 ZINC000931284041 625692905 /nfs/dbraw/zinc/69/29/05/625692905.db2.gz MKIHMOATQKKSKI-ZWKOTPCHSA-N 1 3 308.466 2.131 20 0 DEADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1 ZINC000971204801 624070564 /nfs/dbraw/zinc/07/05/64/624070564.db2.gz OTMJGWRFJYJZLQ-QZTJIDSGSA-N 1 3 315.461 2.122 20 0 DEADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1 ZINC000971204801 624070566 /nfs/dbraw/zinc/07/05/66/624070566.db2.gz OTMJGWRFJYJZLQ-QZTJIDSGSA-N 1 3 315.461 2.122 20 0 DEADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000891475184 624211079 /nfs/dbraw/zinc/21/10/79/624211079.db2.gz CZLZMDANJFDIGS-NVXWUHKLSA-N 1 3 318.465 2.073 20 0 DEADHO C[C@@H]1CCC[N@H+]1CCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000891475184 624211080 /nfs/dbraw/zinc/21/10/80/624211080.db2.gz CZLZMDANJFDIGS-NVXWUHKLSA-N 1 3 318.465 2.073 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC2=CCCCC2)C1)C1CC1 ZINC000971687584 624505097 /nfs/dbraw/zinc/50/50/97/624505097.db2.gz ZSBRSYJYIUWUQI-MSOLQXFVSA-N 1 3 319.493 2.360 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2=CCCCC2)C1)C1CC1 ZINC000971687584 624505099 /nfs/dbraw/zinc/50/50/99/624505099.db2.gz ZSBRSYJYIUWUQI-MSOLQXFVSA-N 1 3 319.493 2.360 20 0 DEADHO OCc1cnccc1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000891795168 624605276 /nfs/dbraw/zinc/60/52/76/624605276.db2.gz CTCQPOHULNGSFN-UHFFFAOYSA-N 1 3 311.429 2.115 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001022712726 624865532 /nfs/dbraw/zinc/86/55/32/624865532.db2.gz XXELFEJJMPKDPC-RRQGHBQHSA-N 1 3 319.424 2.047 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001022713962 624866440 /nfs/dbraw/zinc/86/64/40/624866440.db2.gz OCLRBWYTJUJKTC-BMFZPTHFSA-N 1 3 307.482 2.001 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001022714439 624867732 /nfs/dbraw/zinc/86/77/32/624867732.db2.gz UQGRFUZRCYQYDI-OIISXLGYSA-N 1 3 307.482 2.145 20 0 DEADHO C[N@@H+]([C@@H]1CCc2ccccc21)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972432940 625075955 /nfs/dbraw/zinc/07/59/55/625075955.db2.gz JKQPOHAWBPVUEF-FUHWJXTLSA-N 1 3 324.428 2.172 20 0 DEADHO C[N@H+]([C@@H]1CCc2ccccc21)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972432940 625075962 /nfs/dbraw/zinc/07/59/62/625075962.db2.gz JKQPOHAWBPVUEF-FUHWJXTLSA-N 1 3 324.428 2.172 20 0 DEADHO CC1(C)[C@H](NC[C@H](CO)Cc2ccccc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925504616 625113748 /nfs/dbraw/zinc/11/37/48/625113748.db2.gz QKMKXADWMQIYMI-ZJPYXAASSA-N 1 3 302.462 2.204 20 0 DEADHO CC1(C)[C@H]([NH2+]C[C@H](CO)Cc2ccccc2)[C@@H]2CCCN[C@@H]21 ZINC000925504616 625113752 /nfs/dbraw/zinc/11/37/52/625113752.db2.gz QKMKXADWMQIYMI-ZJPYXAASSA-N 1 3 302.462 2.204 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]([NH2+]Cc2ccccc2C)C1 ZINC001023024819 625138710 /nfs/dbraw/zinc/13/87/10/625138710.db2.gz IAGOIBNGHMXCFX-IYBDPMFKSA-N 1 3 312.417 2.006 20 0 DEADHO C[C@@H](N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)c1ccccc1F ZINC001023086826 625152009 /nfs/dbraw/zinc/15/20/09/625152009.db2.gz YMKMRZOCQRXOEA-BARDWOONSA-N 1 3 319.424 2.075 20 0 DEADHO C[C@@H](N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)c1ccccc1F ZINC001023086826 625152012 /nfs/dbraw/zinc/15/20/12/625152012.db2.gz YMKMRZOCQRXOEA-BARDWOONSA-N 1 3 319.424 2.075 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC000935002235 625178697 /nfs/dbraw/zinc/17/86/97/625178697.db2.gz SVUZEKUGWXGEIP-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC000935002235 625178699 /nfs/dbraw/zinc/17/86/99/625178699.db2.gz SVUZEKUGWXGEIP-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1C[C@H](Nc2ccc(N3CCN(C)CC3)cc2)CC[N@@H+]1C ZINC000182633146 625269205 /nfs/dbraw/zinc/26/92/05/625269205.db2.gz RQVFJRRZEBOTJW-NVXWUHKLSA-N 1 3 302.466 2.333 20 0 DEADHO C[C@@H]1C[C@H](Nc2ccc(N3CCN(C)CC3)cc2)CC[N@H+]1C ZINC000182633146 625269207 /nfs/dbraw/zinc/26/92/07/625269207.db2.gz RQVFJRRZEBOTJW-NVXWUHKLSA-N 1 3 302.466 2.333 20 0 DEADHO c1ccc([C@H](CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)N2CCCC2)cc1 ZINC000328239218 625747308 /nfs/dbraw/zinc/74/73/08/625747308.db2.gz AQJHQOKSYHXMFR-GNVSMLMZSA-N 1 3 311.473 2.410 20 0 DEADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001019774844 625831694 /nfs/dbraw/zinc/83/16/94/625831694.db2.gz KNHHCKLUHVTMLC-KRWDZBQOSA-N 1 3 319.493 2.243 20 0 DEADHO CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccccc3CN(C)C)[C@@H]2C1 ZINC000979101594 634501317 /nfs/dbraw/zinc/50/13/17/634501317.db2.gz KTYFZFNGQZCOBU-NNZMDNLPSA-N 1 3 315.461 2.066 20 0 DEADHO CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccccc3CN(C)C)[C@@H]2C1 ZINC000979101594 634501320 /nfs/dbraw/zinc/50/13/20/634501320.db2.gz KTYFZFNGQZCOBU-NNZMDNLPSA-N 1 3 315.461 2.066 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CC2CCCCC2)C1)N(C)C ZINC000999489249 634618759 /nfs/dbraw/zinc/61/87/59/634618759.db2.gz JISCYUPSRKZNKD-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC000999490492 634619705 /nfs/dbraw/zinc/61/97/05/634619705.db2.gz QMFPBDPMVKSRJE-DLBZAZTESA-N 1 3 321.440 2.247 20 0 DEADHO COC(=O)c1cc(CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)n(C)c1C ZINC000925764745 634769209 /nfs/dbraw/zinc/76/92/09/634769209.db2.gz AXOTUDSPGCTALM-STQMWFEESA-N 1 3 307.438 2.116 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001000219938 634798469 /nfs/dbraw/zinc/79/84/69/634798469.db2.gz QMFPBDPMVKSRJE-SJORKVTESA-N 1 3 321.440 2.247 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCC2CC2)C(C)(C)C1 ZINC000995873846 633131854 /nfs/dbraw/zinc/13/18/54/633131854.db2.gz RXPLKGKPBYEIMR-IAGOWNOFSA-N 1 3 321.509 2.488 20 0 DEADHO CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)N2CCCCCC2)CC1(C)C ZINC000996373228 633249549 /nfs/dbraw/zinc/24/95/49/633249549.db2.gz JGMJLSKXWRDABW-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(C)c2)C1)N(C)C ZINC001026916254 633263083 /nfs/dbraw/zinc/26/30/83/633263083.db2.gz FXDGNMLIJPZQIZ-ZWKOTPCHSA-N 1 3 317.477 2.273 20 0 DEADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2cccc(C)c2)CC1)N(C)C ZINC000996710721 633363851 /nfs/dbraw/zinc/36/38/51/633363851.db2.gz FHANNRGFMHMPRI-GOSISDBHSA-N 1 3 317.477 2.416 20 0 DEADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2csc(C)c2)CC1)N(C)C ZINC000996713392 633366363 /nfs/dbraw/zinc/36/63/63/633366363.db2.gz UQHFOQUPRAUKTB-MRXNPFEDSA-N 1 3 323.506 2.477 20 0 DEADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2ccccc2F)CC1)N(C)C ZINC000996713929 633366836 /nfs/dbraw/zinc/36/68/36/633366836.db2.gz ZBEUAJBZTSMUHC-QGZVFWFLSA-N 1 3 321.440 2.247 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2F)C1)N(C)C ZINC001027069127 633384143 /nfs/dbraw/zinc/38/41/43/633384143.db2.gz LIZYBQGNEJWBJV-YOEHRIQHSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001027062817 633384405 /nfs/dbraw/zinc/38/44/05/633384405.db2.gz CFJMIPJJPFKDTB-AEFFLSMTSA-N 1 3 319.493 2.409 20 0 DEADHO CC(C)[NH2+]C[C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027064376 633385401 /nfs/dbraw/zinc/38/54/01/633385401.db2.gz CMXLEFRALJZDGU-RHSMWYFYSA-N 1 3 313.461 2.045 20 0 DEADHO C[C@H]([NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001027090745 633431118 /nfs/dbraw/zinc/43/11/18/633431118.db2.gz VGFCEUCLPMWTBI-LSDHHAIUSA-N 1 3 312.417 2.152 20 0 DEADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001027217965 633500447 /nfs/dbraw/zinc/50/04/47/633500447.db2.gz UKZASANDVJSSDX-KRWDZBQOSA-N 1 3 305.466 2.021 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@H](C[NH2+]CC3CC3)C2)c1 ZINC001027233850 633505863 /nfs/dbraw/zinc/50/58/63/633505863.db2.gz LWBKMUSKILNIJE-QGZVFWFLSA-N 1 3 315.461 2.210 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H](C[NH2+]CC2CC2)C1 ZINC001027235049 633508847 /nfs/dbraw/zinc/50/88/47/633508847.db2.gz JIEBQICZDNJLFN-MRXNPFEDSA-N 1 3 315.461 2.210 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]Cc3ccsc3)CC2)C1 ZINC000997007910 633560665 /nfs/dbraw/zinc/56/06/65/633560665.db2.gz RSZGWOGZJDJOLR-AWEZNQCLSA-N 1 3 321.490 2.171 20 0 DEADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(C)cc2)CC1)N(C)C ZINC000997009349 633561228 /nfs/dbraw/zinc/56/12/28/633561228.db2.gz KSTNQIVXUCFORM-SFHVURJKSA-N 1 3 317.477 2.416 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001015976318 633575673 /nfs/dbraw/zinc/57/56/73/633575673.db2.gz LWVXENJMVRNMAA-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001015976318 633575676 /nfs/dbraw/zinc/57/56/76/633575676.db2.gz LWVXENJMVRNMAA-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](CCC)CC1 ZINC000997122207 633605957 /nfs/dbraw/zinc/60/59/57/633605957.db2.gz VVPHUPXXKIZNRJ-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]([NH2+]C1CCN(C(=O)CN2CCCC2)CC1)c1ccccc1 ZINC000997307381 633704460 /nfs/dbraw/zinc/70/44/60/633704460.db2.gz PHUOEZXLHPKNAO-MRXNPFEDSA-N 1 3 315.461 2.424 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CCC2)C1)C1CC1 ZINC001027444536 633795307 /nfs/dbraw/zinc/79/53/07/633795307.db2.gz SRGAIXVRVVOQTI-DLBZAZTESA-N 1 3 307.482 2.050 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CCC2)C1)C1CC1 ZINC001027444536 633795313 /nfs/dbraw/zinc/79/53/13/633795313.db2.gz SRGAIXVRVVOQTI-DLBZAZTESA-N 1 3 307.482 2.050 20 0 DEADHO CN(CC(=O)N1CCC(C[NH2+]CC2CCCC2)CC1)C1CCC1 ZINC000997832121 634003151 /nfs/dbraw/zinc/00/31/51/634003151.db2.gz ZOPSJOZILCEGFN-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CCN(C(=O)[C@@H]1CCCN1C)[C@H]1CCC[N@H+](CCCF)CC1 ZINC000997947213 634071486 /nfs/dbraw/zinc/07/14/86/634071486.db2.gz ASEQYXSKELUQLJ-HOTGVXAUSA-N 1 3 313.461 2.143 20 0 DEADHO CCN(C(=O)[C@@H]1CCCN1C)[C@H]1CCC[N@@H+](CCCF)CC1 ZINC000997947213 634071490 /nfs/dbraw/zinc/07/14/90/634071490.db2.gz ASEQYXSKELUQLJ-HOTGVXAUSA-N 1 3 313.461 2.143 20 0 DEADHO CCN(C(=O)[C@H]1CCCN1C)[C@@H]1CCC[N@H+](CC2CC2)CC1 ZINC000997949722 634073465 /nfs/dbraw/zinc/07/34/65/634073465.db2.gz OFMIUHONASUKAU-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO CCN(C(=O)[C@H]1CCCN1C)[C@@H]1CCC[N@@H+](CC2CC2)CC1 ZINC000997949722 634073473 /nfs/dbraw/zinc/07/34/73/634073473.db2.gz OFMIUHONASUKAU-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([N@H+](C)CC2CCC2)C1 ZINC001027576236 634182472 /nfs/dbraw/zinc/18/24/72/634182472.db2.gz MSOANHSQGDODCH-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC2)C1 ZINC001027576236 634182474 /nfs/dbraw/zinc/18/24/74/634182474.db2.gz MSOANHSQGDODCH-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C[C@H]2C1 ZINC000980144387 634860801 /nfs/dbraw/zinc/86/08/01/634860801.db2.gz AAAFGBNVODLFBX-YESZJQIVSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C[C@H]2C1 ZINC000980144387 634860804 /nfs/dbraw/zinc/86/08/04/634860804.db2.gz AAAFGBNVODLFBX-YESZJQIVSA-N 1 3 321.509 2.486 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]([N@H+](C)CC2CC2)C1 ZINC000980479382 635016888 /nfs/dbraw/zinc/01/68/88/635016888.db2.gz VMMXEXYVXAYOFI-KRWDZBQOSA-N 1 3 315.461 2.305 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]([N@@H+](C)CC2CC2)C1 ZINC000980479382 635016894 /nfs/dbraw/zinc/01/68/94/635016894.db2.gz VMMXEXYVXAYOFI-KRWDZBQOSA-N 1 3 315.461 2.305 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCC1=CC[N@H+](CC2CC2)CC1 ZINC001000680966 635274437 /nfs/dbraw/zinc/27/44/37/635274437.db2.gz XOJKOTXIYGTESP-KRWDZBQOSA-N 1 3 305.466 2.018 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CC2CC2)CC1 ZINC001000680966 635274440 /nfs/dbraw/zinc/27/44/40/635274440.db2.gz XOJKOTXIYGTESP-KRWDZBQOSA-N 1 3 305.466 2.018 20 0 DEADHO CS(=O)(=O)C1CCC(CN[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000925803247 635419192 /nfs/dbraw/zinc/41/91/92/635419192.db2.gz WJFBUECUKIHQSL-SMELUJQZSA-N 1 3 322.474 2.324 20 0 DEADHO Cc1cc(C(F)(F)F)nn1CCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925804122 635428497 /nfs/dbraw/zinc/42/84/97/635428497.db2.gz CFOSPCVVTGASIA-QWRGUYRKSA-N 1 3 302.344 2.070 20 0 DEADHO Cc1cc(C(F)(F)F)nn1CC[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000925804122 635428499 /nfs/dbraw/zinc/42/84/99/635428499.db2.gz CFOSPCVVTGASIA-QWRGUYRKSA-N 1 3 302.344 2.070 20 0 DEADHO CC(C)C[NH+]1CCC(CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001001393267 635476090 /nfs/dbraw/zinc/47/60/90/635476090.db2.gz NSBFRUGFHJIOLG-QGZVFWFLSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCC1CC[NH+](CCC2CC2)CC1 ZINC001001393367 635476099 /nfs/dbraw/zinc/47/60/99/635476099.db2.gz OPFIHMPDCHLVRU-GOSISDBHSA-N 1 3 321.509 2.488 20 0 DEADHO CCCC[NH+]1CCC(CNC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001001467253 635502052 /nfs/dbraw/zinc/50/20/52/635502052.db2.gz LEFXDNRGQXULOV-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCC1CC[NH+](CCC2CC2)CC1 ZINC001001468631 635502732 /nfs/dbraw/zinc/50/27/32/635502732.db2.gz RAOQXBOFIGPYDQ-SFHVURJKSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC1CC[NH+](C(C)C)CC1 ZINC001001911199 635574502 /nfs/dbraw/zinc/57/45/02/635574502.db2.gz MWYMILPUTLNGMO-KRWDZBQOSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[N@@H+]1CCCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000982009533 635808484 /nfs/dbraw/zinc/80/84/84/635808484.db2.gz WBAXGAVKFYBHHO-UHFFFAOYSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)C[N@H+]1CCCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000982009533 635808490 /nfs/dbraw/zinc/80/84/90/635808490.db2.gz WBAXGAVKFYBHHO-UHFFFAOYSA-N 1 3 321.509 2.299 20 0 DEADHO CN(Cc1ccccc1)C1(C[NH2+][C@@H]2CCC[C@@H]2N)CCOCC1 ZINC000925832807 635823403 /nfs/dbraw/zinc/82/34/03/635823403.db2.gz FDRLLCQJOGWEGY-ZWKOTPCHSA-N 1 3 317.477 2.137 20 0 DEADHO CC(C)C[N@@H+]1CCCN(C(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC000982081269 635863742 /nfs/dbraw/zinc/86/37/42/635863742.db2.gz NFMPECDACPEDHF-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)C[N@H+]1CCCN(C(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC000982081269 635863744 /nfs/dbraw/zinc/86/37/44/635863744.db2.gz NFMPECDACPEDHF-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@]1(C(=O)N[C@H](C)CN(C)Cc2ccccc2)CCC[NH2+]1 ZINC000261532533 635875232 /nfs/dbraw/zinc/87/52/32/635875232.db2.gz ALXUKOBGVBAQDB-CRAIPNDOSA-N 1 3 303.450 2.155 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@H+](CC1CC1)C2 ZINC000982163808 635890497 /nfs/dbraw/zinc/89/04/97/635890497.db2.gz TUZTZSTWVDDKLR-QGZVFWFLSA-N 1 3 319.493 2.195 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000982163808 635890500 /nfs/dbraw/zinc/89/05/00/635890500.db2.gz TUZTZSTWVDDKLR-QGZVFWFLSA-N 1 3 319.493 2.195 20 0 DEADHO Cc1cc([C@H](C)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cs1 ZINC000925849278 635946628 /nfs/dbraw/zinc/94/66/28/635946628.db2.gz OFSUBQNGHUAMHP-JSGCOSHPSA-N 1 3 308.447 2.392 20 0 DEADHO CC(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C3CC3)N(C)C)C[C@@]2(C)C1 ZINC000982296674 635954524 /nfs/dbraw/zinc/95/45/24/635954524.db2.gz XBIQXNQYKGVEMZ-YTQUADARSA-N 1 3 321.509 2.153 20 0 DEADHO CC(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C3CC3)N(C)C)C[C@@]2(C)C1 ZINC000982296674 635954527 /nfs/dbraw/zinc/95/45/27/635954527.db2.gz XBIQXNQYKGVEMZ-YTQUADARSA-N 1 3 321.509 2.153 20 0 DEADHO Cc1ccc([C@H](C)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c(C)n1 ZINC000925859240 635959303 /nfs/dbraw/zinc/95/93/03/635959303.db2.gz WKYLPORISGUWNH-ZFWWWQNUSA-N 1 3 317.433 2.034 20 0 DEADHO Cc1ncsc1CN[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922387031 636152216 /nfs/dbraw/zinc/15/22/16/636152216.db2.gz JISMWDGMLGCZAA-VDERGJSUSA-N 1 3 309.479 2.021 20 0 DEADHO Cc1ncsc1CN[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922387031 636152221 /nfs/dbraw/zinc/15/22/21/636152221.db2.gz JISMWDGMLGCZAA-VDERGJSUSA-N 1 3 309.479 2.021 20 0 DEADHO Cc1nc(F)ccc1CN[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922390521 636152802 /nfs/dbraw/zinc/15/28/02/636152802.db2.gz NOJVIPQPGANDFL-LMSBXDPUSA-N 1 3 321.440 2.098 20 0 DEADHO Cc1nc(F)ccc1CN[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922390521 636152806 /nfs/dbraw/zinc/15/28/06/636152806.db2.gz NOJVIPQPGANDFL-LMSBXDPUSA-N 1 3 321.440 2.098 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3ccns3)C2)[C@@H]1C(C)C ZINC000922392079 636153731 /nfs/dbraw/zinc/15/37/31/636153731.db2.gz CSGVPKKNCQVBRV-LVQVYYBASA-N 1 3 309.479 2.103 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3ccns3)C2)[C@@H]1C(C)C ZINC000922392079 636153735 /nfs/dbraw/zinc/15/37/35/636153735.db2.gz CSGVPKKNCQVBRV-LVQVYYBASA-N 1 3 309.479 2.103 20 0 DEADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cncs3)C2)[C@H]1C(C)C ZINC000922392335 636154500 /nfs/dbraw/zinc/15/45/00/636154500.db2.gz CYKULGMDCKEURA-FPCVCCKLSA-N 1 3 309.479 2.103 20 0 DEADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cncs3)C2)[C@H]1C(C)C ZINC000922392335 636154503 /nfs/dbraw/zinc/15/45/03/636154503.db2.gz CYKULGMDCKEURA-FPCVCCKLSA-N 1 3 309.479 2.103 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)NCC1([NH+](C)C)CC1)c1ccco1 ZINC000922423798 636166626 /nfs/dbraw/zinc/16/66/26/636166626.db2.gz IONAQMHLLLTQJX-KBPBESRZSA-N 1 3 322.453 2.102 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001028536339 636328134 /nfs/dbraw/zinc/32/81/34/636328134.db2.gz AFSPPMUBQZSOTL-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001028536339 636328137 /nfs/dbraw/zinc/32/81/37/636328137.db2.gz AFSPPMUBQZSOTL-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(=O)OC[C@@H](C)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000894226526 636498850 /nfs/dbraw/zinc/49/88/50/636498850.db2.gz JWUQINDSFPGXIB-QAPCUYQASA-N 1 3 304.434 2.440 20 0 DEADHO CC(=O)OC[C@@H](C)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000894226526 636498853 /nfs/dbraw/zinc/49/88/53/636498853.db2.gz JWUQINDSFPGXIB-QAPCUYQASA-N 1 3 304.434 2.440 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)CC[C@@H]2C1 ZINC000946643000 636518516 /nfs/dbraw/zinc/51/85/16/636518516.db2.gz YVDPJHYOXIFZEY-IXDOHACOSA-N 1 3 309.498 2.297 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)CC[C@@H]2C1 ZINC000946643000 636518523 /nfs/dbraw/zinc/51/85/23/636518523.db2.gz YVDPJHYOXIFZEY-IXDOHACOSA-N 1 3 309.498 2.297 20 0 DEADHO c1ncc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)[nH]1 ZINC000894258388 636585415 /nfs/dbraw/zinc/58/54/15/636585415.db2.gz ALXJNVJKPGWBED-UHFFFAOYSA-N 1 3 300.406 2.174 20 0 DEADHO C[C@@H]([NH2+]CC1CC1)[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001004877205 636603044 /nfs/dbraw/zinc/60/30/44/636603044.db2.gz LNSPPVNCOPHQRX-RHSMWYFYSA-N 1 3 307.482 2.240 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC(C)C)C[C@H]2CC1)N(C)C ZINC000946784810 636652489 /nfs/dbraw/zinc/65/24/89/636652489.db2.gz VTXZTMPZCFHVJD-BBWFWOEESA-N 1 3 309.498 2.153 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC(C)C)C[C@H]2CC1)N(C)C ZINC000946784810 636652492 /nfs/dbraw/zinc/65/24/92/636652492.db2.gz VTXZTMPZCFHVJD-BBWFWOEESA-N 1 3 309.498 2.153 20 0 DEADHO CCN1CC[C@H](NC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000922908490 636849344 /nfs/dbraw/zinc/84/93/44/636849344.db2.gz NOEWIAZJXMLCQB-PQUAAJSLSA-N 1 3 322.497 2.177 20 0 DEADHO c1ccc(CN(C[C@H]2CCCO2)C[C@@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923310822 637110462 /nfs/dbraw/zinc/11/04/62/637110462.db2.gz YWHUZVCDCRWOMQ-MSOLQXFVSA-N 1 3 316.445 2.046 20 0 DEADHO O[C@@H](CN1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccc(F)c(F)c1 ZINC000923364045 637137383 /nfs/dbraw/zinc/13/73/83/637137383.db2.gz GEUCPIZDMVWJTI-IRXDYDNUSA-N 1 3 310.388 2.462 20 0 DEADHO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923374057 637145289 /nfs/dbraw/zinc/14/52/89/637145289.db2.gz UIFIBUHBEJOMEU-XJMZPCNVSA-N 1 3 306.450 2.181 20 0 DEADHO COC(=O)c1cncc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000923390843 637152672 /nfs/dbraw/zinc/15/26/72/637152672.db2.gz WHJKUCHOPBCCGE-INIZCTEOSA-N 1 3 317.433 2.080 20 0 DEADHO CCc1onc(C)c1CN1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000923391908 637153264 /nfs/dbraw/zinc/15/32/64/637153264.db2.gz GQWFPWLUQJRTHL-UNEWFSDZSA-N 1 3 307.438 2.406 20 0 DEADHO CC(C)(C)[C@]1(C[NH3+])CCN(C[C@@H](O)COc2ccccc2F)C1 ZINC000923416249 637162054 /nfs/dbraw/zinc/16/20/54/637162054.db2.gz UYEVXOJQTIJMPE-KDOFPFPSSA-N 1 3 324.440 2.262 20 0 DEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(F)(C2CC2)CC1 ZINC000923438579 637183188 /nfs/dbraw/zinc/18/31/88/637183188.db2.gz AJYKSVXGNCTFPD-IRXDYDNUSA-N 1 3 306.425 2.131 20 0 DEADHO CC(C)(C)c1ccc(OCCCN2CCNCC[NH2+]CC2)cc1 ZINC000923464585 637190356 /nfs/dbraw/zinc/19/03/56/637190356.db2.gz QKPFZESEOSMYRR-UHFFFAOYSA-N 1 3 319.493 2.248 20 0 DEADHO c1ccc2c(c1)cccc2OCCCN1CCNCC[NH2+]CC1 ZINC000923461089 637192024 /nfs/dbraw/zinc/19/20/24/637192024.db2.gz LRZOAZZKZWSZDB-UHFFFAOYSA-N 1 3 313.445 2.104 20 0 DEADHO C[C@H](NC(=O)CN1CC[C@H](CC[NH3+])C1)c1ccc(Cl)cc1 ZINC000923487197 637201750 /nfs/dbraw/zinc/20/17/50/637201750.db2.gz ARQJKGSTGIBFDE-STQMWFEESA-N 1 3 309.841 2.188 20 0 DEADHO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CC[C@@H](CC[NH3+])C1 ZINC000923486159 637206750 /nfs/dbraw/zinc/20/67/50/637206750.db2.gz NXTKDPZBTGKSSV-RBSFLKMASA-N 1 3 321.490 2.471 20 0 DEADHO CN(C(=O)CN1CC[C@H](CC[NH3+])C1)[C@@H]1CCCc2ccccc21 ZINC000923490932 637209864 /nfs/dbraw/zinc/20/98/64/637209864.db2.gz YNZGFNGBTRNHQC-MAUKXSAKSA-N 1 3 315.461 2.193 20 0 DEADHO CCN(C(=O)[C@H](C)N1CC[C@H](C[NH3+])[C@H](C)C1)c1ccccc1 ZINC000923503459 637224459 /nfs/dbraw/zinc/22/44/59/637224459.db2.gz IRXNPDSLDLFCAM-OWCLPIDISA-N 1 3 303.450 2.345 20 0 DEADHO C[C@@H]([NH2+]CC1CC1)C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001029145670 637276412 /nfs/dbraw/zinc/27/64/12/637276412.db2.gz CMFKCVAUUVTTRS-HUUCEWRRSA-N 1 3 307.482 2.097 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2CN)C1 ZINC000841027383 650408225 /nfs/dbraw/zinc/40/82/25/650408225.db2.gz ANQPDQQNJGSRSN-YIYPIFLZSA-N 1 3 318.408 2.461 20 0 DEADHO CCCCCCN(C)CC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000748432509 638555013 /nfs/dbraw/zinc/55/50/13/638555013.db2.gz AUXBCDUCLQHEAO-INIZCTEOSA-N 1 3 315.527 2.052 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC(C)C2)C1 ZINC000985149203 639081900 /nfs/dbraw/zinc/08/19/00/639081900.db2.gz MGUBYHIMBOHIHC-CNFALQKSSA-N 1 3 321.509 2.391 20 0 DEADHO C[C@H](CNC(=O)Nc1ccc2c(c1)CNC2)[NH+]1CCCCC1 ZINC000841330149 650476012 /nfs/dbraw/zinc/47/60/12/650476012.db2.gz BAEYJVPRXROOOI-CYBMUJFWSA-N 1 3 302.422 2.286 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[N@H+](C)CC3CCCC3)C2)C1 ZINC001029840405 639535369 /nfs/dbraw/zinc/53/53/69/639535369.db2.gz YAHNQDICYKFOKE-SJLPKXTDSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[N@@H+](C)CC3CCCC3)C2)C1 ZINC001029840405 639535370 /nfs/dbraw/zinc/53/53/70/639535370.db2.gz YAHNQDICYKFOKE-SJLPKXTDSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C[N@H+](C)CC3CCCC3)C2)C1 ZINC001029840403 639535483 /nfs/dbraw/zinc/53/54/83/639535483.db2.gz YAHNQDICYKFOKE-AEFFLSMTSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C[N@@H+](C)CC3CCCC3)C2)C1 ZINC001029840403 639535486 /nfs/dbraw/zinc/53/54/86/639535486.db2.gz YAHNQDICYKFOKE-AEFFLSMTSA-N 1 3 321.509 2.299 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC([N@H+](C)CC(C)C)CC1 ZINC000985803736 639644749 /nfs/dbraw/zinc/64/47/49/639644749.db2.gz IXBMDJOWUGHZJB-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC([N@@H+](C)CC(C)C)CC1 ZINC000985803736 639644752 /nfs/dbraw/zinc/64/47/52/639644752.db2.gz IXBMDJOWUGHZJB-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO C[N@@H+](CC1=CCCCC1)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904272 639755851 /nfs/dbraw/zinc/75/58/51/639755851.db2.gz RONIFPGQHQNROV-SFHVURJKSA-N 1 3 319.493 2.363 20 0 DEADHO C[N@H+](CC1=CCCCC1)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904272 639755854 /nfs/dbraw/zinc/75/58/54/639755854.db2.gz RONIFPGQHQNROV-SFHVURJKSA-N 1 3 319.493 2.363 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CCC2)C1 ZINC001029910613 639766607 /nfs/dbraw/zinc/76/66/07/639766607.db2.gz SNLKIBAJMDESCW-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCC2)C1 ZINC001029910613 639766613 /nfs/dbraw/zinc/76/66/13/639766613.db2.gz SNLKIBAJMDESCW-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H](NC1COC(C)(C)OC1)c1cccc(OCC[NH+](C)C)c1 ZINC000757698789 639871770 /nfs/dbraw/zinc/87/17/70/639871770.db2.gz RQDNEJOMCKEMTJ-CQSZACIVSA-N 1 3 322.449 2.429 20 0 DEADHO COc1ccc(OC)c([C@H](O)CN2CCC(C[NH+](C)C)CC2)c1 ZINC000321361102 640130730 /nfs/dbraw/zinc/13/07/30/640130730.db2.gz UFUOBCCAZVVREW-QGZVFWFLSA-N 1 3 322.449 2.011 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc(Cl)n1 ZINC000841847102 650577833 /nfs/dbraw/zinc/57/78/33/650577833.db2.gz ZGYOPLQFBXVBLK-MRVWCRGKSA-N 1 3 324.856 2.162 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccsc2)CN1C(=O)CN(C)C1CCC1 ZINC000988955442 640695530 /nfs/dbraw/zinc/69/55/30/640695530.db2.gz KAOOJPCPINXXCJ-UKRRQHHQSA-N 1 3 321.490 2.311 20 0 DEADHO CC(C)N1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000989452205 641021591 /nfs/dbraw/zinc/02/15/91/641021591.db2.gz SRNYISAEWZMJCT-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)CN(C)CC(C)(C)C ZINC000899813026 642175572 /nfs/dbraw/zinc/17/55/72/642175572.db2.gz SPVZCIWGBMHXQQ-OAHLLOKOSA-N 1 3 318.465 2.097 20 0 DEADHO CN(C(=O)c1ccc(NC2=NCCC2)cc1)C1CC[NH+](C)CC1 ZINC000899908885 642205561 /nfs/dbraw/zinc/20/55/61/642205561.db2.gz FPJZGWPNEDYMLT-UHFFFAOYSA-N 1 3 314.433 2.457 20 0 DEADHO C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc2ncsc2c1 ZINC000776816835 642210112 /nfs/dbraw/zinc/21/01/12/642210112.db2.gz RQTIIRZZDXJIOL-OCCSQVGLSA-N 1 3 305.447 2.404 20 0 DEADHO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000900709426 642449219 /nfs/dbraw/zinc/44/92/19/642449219.db2.gz HTBQNQQANAZIRK-AWEZNQCLSA-N 1 3 314.433 2.315 20 0 DEADHO C[C@@H]1CC[N@H+](CCNC(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000900912129 642514664 /nfs/dbraw/zinc/51/46/64/642514664.db2.gz IYZIUVSGNYTTLP-CQSZACIVSA-N 1 3 314.433 2.362 20 0 DEADHO C[C@@H]1CC[N@@H+](CCNC(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000900912129 642514669 /nfs/dbraw/zinc/51/46/69/642514669.db2.gz IYZIUVSGNYTTLP-CQSZACIVSA-N 1 3 314.433 2.362 20 0 DEADHO C[N@@H+]1CCC[C@H](N2CCN(C[C@@H]3CCc4ccccc43)CC2)C1 ZINC000780304452 642610165 /nfs/dbraw/zinc/61/01/65/642610165.db2.gz UFAGSYNIUMUAKT-OALUTQOASA-N 1 3 313.489 2.428 20 0 DEADHO C[N@H+]1CCC[C@H](N2CCN(C[C@@H]3CCc4ccccc43)CC2)C1 ZINC000780304452 642610169 /nfs/dbraw/zinc/61/01/69/642610169.db2.gz UFAGSYNIUMUAKT-OALUTQOASA-N 1 3 313.489 2.428 20 0 DEADHO CC(=O)N1CCC([NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)CC1 ZINC000781427366 642750658 /nfs/dbraw/zinc/75/06/58/642750658.db2.gz VFJCYYJXCJCSOR-HOCLYGCPSA-N 1 3 307.482 2.240 20 0 DEADHO CC1(C)C[NH2+]CC[C@H](NCCC(=O)NCc2ccccc2)C1 ZINC000902339511 643000116 /nfs/dbraw/zinc/00/01/16/643000116.db2.gz RIQBYFXACLMNIE-INIZCTEOSA-N 1 3 303.450 2.061 20 0 DEADHO NOCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000902426594 643035302 /nfs/dbraw/zinc/03/53/02/643035302.db2.gz VRBHCALZTSUQGE-OKZBNKHCSA-N 1 3 303.450 2.157 20 0 DEADHO c1cc(CN2CCC(NC[C@H]3CCCCC[NH2+]3)CC2)ccn1 ZINC000902485047 643057096 /nfs/dbraw/zinc/05/70/96/643057096.db2.gz YNMPWJZDSJDAAA-GOSISDBHSA-N 1 3 302.466 2.168 20 0 DEADHO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C2CC2)C1 ZINC000903198814 643283398 /nfs/dbraw/zinc/28/33/98/643283398.db2.gz GRDVNIWHNOKJSB-LXFPCJQWSA-N 1 3 310.507 2.424 20 0 DEADHO Cc1ccc(NC(=O)[C@H](C)N2C[C@@H](C)[C@H](CC[NH3+])C2)cc1F ZINC000903496684 643372353 /nfs/dbraw/zinc/37/23/53/643372353.db2.gz YTUKIKHAKHUCRJ-HZSPNIEDSA-N 1 3 307.413 2.378 20 0 DEADHO C[C@H](c1ccncc1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903508639 643373466 /nfs/dbraw/zinc/37/34/66/643373466.db2.gz PFRHGOANDDABRB-OLMNPRSZSA-N 1 3 300.450 2.043 20 0 DEADHO C[C@H](c1ccncc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903508639 643373469 /nfs/dbraw/zinc/37/34/69/643373469.db2.gz PFRHGOANDDABRB-OLMNPRSZSA-N 1 3 300.450 2.043 20 0 DEADHO C[C@H](c1ccncc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903508639 643373470 /nfs/dbraw/zinc/37/34/70/643373470.db2.gz PFRHGOANDDABRB-OLMNPRSZSA-N 1 3 300.450 2.043 20 0 DEADHO Cc1nc(C(C)(C)NC[C@H]2C[C@@]3(CC[NH2+]C3)CO2)sc1C ZINC000903742171 643450354 /nfs/dbraw/zinc/45/03/54/643450354.db2.gz VMCSTQVEJBKOMT-CZUORRHYSA-N 1 3 309.479 2.353 20 0 DEADHO C[C@H]1C[C@H](C)CN(C(=O)CN2CCC(C(C)(C)C[NH3+])CC2)C1 ZINC000903788685 643463332 /nfs/dbraw/zinc/46/33/32/643463332.db2.gz DTLBJSVZRCSYTC-GJZGRUSLSA-N 1 3 309.498 2.188 20 0 DEADHO c1ccc(C[C@@H]2CN(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)cc1 ZINC000903903617 643502579 /nfs/dbraw/zinc/50/25/79/643502579.db2.gz WGUOIXTWUKWXCV-XVLXNVKGSA-N 1 3 300.446 2.461 20 0 DEADHO CC1(C)CN(CC(F)(F)F)CCN1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903905337 643503398 /nfs/dbraw/zinc/50/33/98/643503398.db2.gz CFEGLSZVNUMUIC-AGUYFDCRSA-N 1 3 319.415 2.476 20 0 DEADHO COc1ccc(C[NH2+]C[C@@H]2CNCCC2(F)F)cc1OC ZINC000903955819 643529269 /nfs/dbraw/zinc/52/92/69/643529269.db2.gz ZNOHPYKDWCEZFS-LBPRGKRZSA-N 1 3 300.349 2.038 20 0 DEADHO [NH3+][C@H]1C[C@@H](CN2CCN(Cc3ccc(F)cc3Cl)CC2)C1 ZINC000904307436 643631317 /nfs/dbraw/zinc/63/13/17/643631317.db2.gz AIKMOJZUEMRTNR-JNSHFYNHSA-N 1 3 311.832 2.334 20 0 DEADHO CC(C)(C)c1nc(CN2CCN(C[C@H]3C[C@@H]([NH3+])C3)CC2)cs1 ZINC000904313021 643633257 /nfs/dbraw/zinc/63/32/57/643633257.db2.gz WMRWNFCVDXCJFT-OKILXGFUSA-N 1 3 322.522 2.296 20 0 DEADHO CN(C[C@H]1C[C@@H]([NH3+])C1)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000904316484 643635080 /nfs/dbraw/zinc/63/50/80/643635080.db2.gz NEDJFGFZIMTLAZ-OAUYIBNBSA-N 1 3 302.397 2.318 20 0 DEADHO COc1cc(OC)c(OC)cc1CN1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904410092 643660934 /nfs/dbraw/zinc/66/09/34/643660934.db2.gz AISUPONRMNKNTJ-QWHCGFSZSA-N 1 3 308.422 2.129 20 0 DEADHO CC[NH+](CC)Cc1ccccc1CNC[C@H](O)C1(O)CCCC1 ZINC000905023223 643774466 /nfs/dbraw/zinc/77/44/66/643774466.db2.gz DGNQATNBTXBGJS-SFHVURJKSA-N 1 3 320.477 2.284 20 0 DEADHO Cc1cccc([C@@H](O)C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000905129177 643804808 /nfs/dbraw/zinc/80/48/08/643804808.db2.gz WZXNFHVTMMSUED-LPHOPBHVSA-N 1 3 318.461 2.119 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC[C@@H](O)CCC2(O)CCC2)C1 ZINC000905913252 644082970 /nfs/dbraw/zinc/08/29/70/644082970.db2.gz OGAPSJZOXVZKIK-ZACQAIPSSA-N 1 3 312.498 2.000 20 0 DEADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000907761843 644635656 /nfs/dbraw/zinc/63/56/56/644635656.db2.gz GVCHYFSIVWINBI-PVAVHDDUSA-N 1 3 305.466 2.136 20 0 DEADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000907761843 644635657 /nfs/dbraw/zinc/63/56/57/644635657.db2.gz GVCHYFSIVWINBI-PVAVHDDUSA-N 1 3 305.466 2.136 20 0 DEADHO CN1CCC2(CCC[N@@H+]2CC2CCC3(CC2)OCCO3)CC1 ZINC000795975718 644666979 /nfs/dbraw/zinc/66/69/79/644666979.db2.gz OJEACJKBSQWPAN-UHFFFAOYSA-N 1 3 308.466 2.480 20 0 DEADHO CN1CCC2(CCC[N@H+]2CC2CCC3(CC2)OCCO3)CC1 ZINC000795975718 644666984 /nfs/dbraw/zinc/66/69/84/644666984.db2.gz OJEACJKBSQWPAN-UHFFFAOYSA-N 1 3 308.466 2.480 20 0 DEADHO CC(C)(C(=O)NC1CC([NH+]2CCCCC2)C1)N1CCCCC1 ZINC000907906207 644686193 /nfs/dbraw/zinc/68/61/93/644686193.db2.gz ITTJCTHZNGTTDX-UHFFFAOYSA-N 1 3 307.482 2.384 20 0 DEADHO C[N@@H+]1CC[C@H](NCCNC(=O)c2ccc(F)cc2)[C@@H]2CCC[C@H]21 ZINC000796705950 644779113 /nfs/dbraw/zinc/77/91/13/644779113.db2.gz XLQZWPNEYVKGPP-YESZJQIVSA-N 1 3 319.424 2.018 20 0 DEADHO C[N@H+]1CC[C@H](NCCNC(=O)c2ccc(F)cc2)[C@@H]2CCC[C@H]21 ZINC000796705950 644779118 /nfs/dbraw/zinc/77/91/18/644779118.db2.gz XLQZWPNEYVKGPP-YESZJQIVSA-N 1 3 319.424 2.018 20 0 DEADHO CN1CC[C@H]([NH2+]C2CCN(C[C@@H]3CCCO3)CC2)[C@H]2CCC[C@@H]21 ZINC000796765072 644789532 /nfs/dbraw/zinc/78/95/32/644789532.db2.gz WCNSVPMNSWSAHY-RDGPPVDQSA-N 1 3 321.509 2.092 20 0 DEADHO O=C(Nc1cccc2c1CC[NH2+]C2)c1ccc2c(c1)OCCNC2 ZINC000911796296 645832453 /nfs/dbraw/zinc/83/24/53/645832453.db2.gz NMNBUURNZFGKKE-UHFFFAOYSA-N 1 3 323.396 2.067 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)NC[C@H]2CCCCN2C)CC1 ZINC000912449094 646075335 /nfs/dbraw/zinc/07/53/35/646075335.db2.gz GKIPIJHQGAKKLZ-MRXNPFEDSA-N 1 3 310.486 2.034 20 0 DEADHO CC(C)(C(=O)NCC1CC[NH+](CC2CC2)CC1)N1CCCCC1 ZINC000912731984 646153526 /nfs/dbraw/zinc/15/35/26/646153526.db2.gz MNIKSHAUBKFNFI-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CC[NH+]1CCC(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000810195734 646338231 /nfs/dbraw/zinc/33/82/31/646338231.db2.gz BVCZGWLFFHPSAX-QGZVFWFLSA-N 1 3 313.461 2.047 20 0 DEADHO CSC1(CNCc2cnc([C@H](C)O)s2)CC[NH+](C)CC1 ZINC000811513830 646538689 /nfs/dbraw/zinc/53/86/89/646538689.db2.gz RUZSCIZTWNGDHF-NSHDSACASA-N 1 3 315.508 2.113 20 0 DEADHO C[NH+](C)C[C@H]1CCN(C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000172805630 646751832 /nfs/dbraw/zinc/75/18/32/646751832.db2.gz HPHNRCAOZJJRRU-CABCVRRESA-N 1 3 311.470 2.127 20 0 DEADHO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000232504645 646809961 /nfs/dbraw/zinc/80/99/61/646809961.db2.gz QAKCTPJXOUDRGP-HOCLYGCPSA-N 1 3 323.481 2.460 20 0 DEADHO CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]21 ZINC000992707647 647190614 /nfs/dbraw/zinc/19/06/14/647190614.db2.gz HBRHSTBLRVMSHR-BHYGNILZSA-N 1 3 307.482 2.097 20 0 DEADHO CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]21 ZINC000992707654 647190895 /nfs/dbraw/zinc/19/08/95/647190895.db2.gz HBRHSTBLRVMSHR-HYVNUMGLSA-N 1 3 307.482 2.097 20 0 DEADHO N[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000817899594 647376368 /nfs/dbraw/zinc/37/63/68/647376368.db2.gz HRAWTDMJFUJWJW-FRRDWIJNSA-N 1 3 304.312 2.088 20 0 DEADHO NC[C@H]1CCCC[C@H]1[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000817924682 647383024 /nfs/dbraw/zinc/38/30/24/647383024.db2.gz JMQVTWKWYUHUDG-CCGTUFIJSA-N 1 3 303.450 2.319 20 0 DEADHO C[C@H](Cc1ccco1)NC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000818954276 647548255 /nfs/dbraw/zinc/54/82/55/647548255.db2.gz UZAPZLOKGXLADO-WBVHZDCISA-N 1 3 302.418 2.293 20 0 DEADHO C[C@H](Cc1ccco1)NC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000818954276 647548256 /nfs/dbraw/zinc/54/82/56/647548256.db2.gz UZAPZLOKGXLADO-WBVHZDCISA-N 1 3 302.418 2.293 20 0 DEADHO CCCCCC[C@H](O)CNC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000819085337 647580312 /nfs/dbraw/zinc/58/03/12/647580312.db2.gz UJGDRXDVHSZPHW-AEFFLSMTSA-N 1 3 312.498 2.408 20 0 DEADHO O[C@H](C[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1 ZINC000819173731 647601037 /nfs/dbraw/zinc/60/10/37/647601037.db2.gz MKXQKNWAWGWRFL-GBESFXJTSA-N 1 3 318.461 2.078 20 0 DEADHO CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001015696038 647777181 /nfs/dbraw/zinc/77/71/81/647777181.db2.gz TYTOANKVPOKXOZ-RHSMWYFYSA-N 1 3 313.461 2.190 20 0 DEADHO CCCC[N@H+]1CC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001015696038 647777185 /nfs/dbraw/zinc/77/71/85/647777185.db2.gz TYTOANKVPOKXOZ-RHSMWYFYSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC000939800459 648727253 /nfs/dbraw/zinc/72/72/53/648727253.db2.gz INDPBBPSAXHEED-RHSMWYFYSA-N 1 3 303.450 2.207 20 0 DEADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1[NH2+]CC1CC1 ZINC000939807276 648728655 /nfs/dbraw/zinc/72/86/55/648728655.db2.gz VRSMCPKBZVTZHR-RDTXWAMCSA-N 1 3 315.461 2.208 20 0 DEADHO CN(C(=O)[C@@H]1CCCN1C)[C@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000948246601 648846499 /nfs/dbraw/zinc/84/64/99/648846499.db2.gz YTFSNAFVDITSIW-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C(=O)[C@@H]1CCCN1C)[C@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000948246601 648846500 /nfs/dbraw/zinc/84/65/00/648846500.db2.gz YTFSNAFVDITSIW-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000940918003 648971018 /nfs/dbraw/zinc/97/10/18/648971018.db2.gz IAIYRDGHHWWENT-HOTGVXAUSA-N 1 3 307.482 2.097 20 0 DEADHO CC[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000940918003 648971020 /nfs/dbraw/zinc/97/10/20/648971020.db2.gz IAIYRDGHHWWENT-HOTGVXAUSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C(C)(C)C1 ZINC000940945194 648975980 /nfs/dbraw/zinc/97/59/80/648975980.db2.gz YCAFBGQSRVIQPV-OAHLLOKOSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C(C)(C)C1 ZINC000940945194 648975982 /nfs/dbraw/zinc/97/59/82/648975982.db2.gz YCAFBGQSRVIQPV-OAHLLOKOSA-N 1 3 309.498 2.486 20 0 DEADHO CCCC[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC000941186515 649018413 /nfs/dbraw/zinc/01/84/13/649018413.db2.gz LJYOZDINEWQSQT-HNNXBMFYSA-N 1 3 306.454 2.277 20 0 DEADHO CCCC[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC000941186515 649018415 /nfs/dbraw/zinc/01/84/15/649018415.db2.gz LJYOZDINEWQSQT-HNNXBMFYSA-N 1 3 306.454 2.277 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC000942053471 649143621 /nfs/dbraw/zinc/14/36/21/649143621.db2.gz PVNTUYDGIOKTGG-CVEARBPZSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC000942053471 649143623 /nfs/dbraw/zinc/14/36/23/649143623.db2.gz PVNTUYDGIOKTGG-CVEARBPZSA-N 1 3 309.498 2.486 20 0 DEADHO CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000995237888 649212382 /nfs/dbraw/zinc/21/23/82/649212382.db2.gz WANOWSUWLVTWEH-RHSMWYFYSA-N 1 3 303.450 2.256 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)N2CCC([C@@H](C)[NH3+])CC2)cc(Cl)n1 ZINC000832592587 649727448 /nfs/dbraw/zinc/72/74/48/649727448.db2.gz ZNYZXZWRHLZANY-RISCZKNCSA-N 1 3 324.856 2.019 20 0 DEADHO CC(C)[C@@H](C(=O)Nc1cccc(OCC[NH3+])c1)N1CCCCC1 ZINC000844163824 651085148 /nfs/dbraw/zinc/08/51/48/651085148.db2.gz IKDVWXSMLXBFPR-KRWDZBQOSA-N 1 3 319.449 2.473 20 0 DEADHO COc1ccnc(N2CCN(CCCCCCC[NH3+])CC2)c1 ZINC000844221790 651096094 /nfs/dbraw/zinc/09/60/94/651096094.db2.gz KPRQHYFCIURDFO-UHFFFAOYSA-N 1 3 306.454 2.121 20 0 DEADHO C[NH+](C)CCCC1CCN(C[C@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844319551 651111470 /nfs/dbraw/zinc/11/14/70/651111470.db2.gz ZKTOJCQLMPEBTM-INIZCTEOSA-N 1 3 309.454 2.023 20 0 DEADHO C[NH+](C)C1CCC(NCc2ncc(C3OCCO3)s2)CC1 ZINC000846061854 651305304 /nfs/dbraw/zinc/30/53/04/651305304.db2.gz UWUBQZZSAZYLHF-UHFFFAOYSA-N 1 3 311.451 2.151 20 0 DEADHO CCCN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H]1CCN(C)C1 ZINC000848236456 651446059 /nfs/dbraw/zinc/44/60/59/651446059.db2.gz CJIWZLCJYFWTQH-GOSISDBHSA-N 1 3 317.477 2.347 20 0 DEADHO [NH3+][C@H]1CCC[C@@H](NC[C@H](O)c2cccc(Br)c2)C1 ZINC000848719858 651497530 /nfs/dbraw/zinc/49/75/30/651497530.db2.gz FQHRAVNTUHEEJB-MJBXVCDLSA-N 1 3 313.239 2.342 20 0 DEADHO COC(=O)/C=C\c1ccc(CNCC2(C)CC[NH+](C)CC2)o1 ZINC000848900585 651551078 /nfs/dbraw/zinc/55/10/78/651551078.db2.gz HYTUEWWDUKUPCD-SREVYHEPSA-N 1 3 306.406 2.287 20 0 DEADHO COC(=O)/C=C\c1ccc(CNCC[C@H]2CCC[N@H+](C)C2)o1 ZINC000848916595 651559999 /nfs/dbraw/zinc/55/99/99/651559999.db2.gz KGBVDAWSEMSTOP-WBTMPAOCSA-N 1 3 306.406 2.287 20 0 DEADHO COC(=O)/C=C\c1ccc(CNCC[C@H]2CCC[N@@H+](C)C2)o1 ZINC000848916595 651560005 /nfs/dbraw/zinc/56/00/05/651560005.db2.gz KGBVDAWSEMSTOP-WBTMPAOCSA-N 1 3 306.406 2.287 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCc2ccccc2C1 ZINC000849009307 651580105 /nfs/dbraw/zinc/58/01/05/651580105.db2.gz UGFWCALBQAQCLK-QAPCUYQASA-N 1 3 314.477 2.390 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCC1CCC(OC)CC1 ZINC000849018533 651583927 /nfs/dbraw/zinc/58/39/27/651583927.db2.gz CWUDVIVAKSEKQN-PCKAHOCUSA-N 1 3 310.486 2.180 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H](OC(C)C)C1(C)C ZINC000849019690 651585042 /nfs/dbraw/zinc/58/50/42/651585042.db2.gz ZGCMFIVVIWCUHV-ILXRZTDVSA-N 1 3 310.486 2.177 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCc1ccccc1F ZINC000849024955 651587414 /nfs/dbraw/zinc/58/74/14/651587414.db2.gz HAKKWRXUROMNGB-OAHLLOKOSA-N 1 3 306.429 2.357 20 0 DEADHO CN(C)Cc1cnc(CNCC2CC[NH+](CC3CC3)CC2)s1 ZINC000850420066 651924987 /nfs/dbraw/zinc/92/49/87/651924987.db2.gz LBPOEISPJIYMOD-UHFFFAOYSA-N 1 3 322.522 2.416 20 0 DEADHO CCN(C(=O)NCC[C@H](C)[NH3+])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000857109352 652052808 /nfs/dbraw/zinc/05/28/08/652052808.db2.gz LYQISRCENYVEFB-DOTOQJQBSA-N 1 3 318.465 2.030 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC(CC[N@H+](C)CC2CC2)CC1 ZINC001374403997 1157841647 /nfs/dbraw/zinc/84/16/47/1157841647.db2.gz QWKLZPYVTPCFSK-QGZVFWFLSA-N 1 3 307.482 2.051 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC(CC[N@@H+](C)CC2CC2)CC1 ZINC001374403997 1157841648 /nfs/dbraw/zinc/84/16/48/1157841648.db2.gz QWKLZPYVTPCFSK-QGZVFWFLSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CC1CCC1 ZINC001374429135 1157852012 /nfs/dbraw/zinc/85/20/12/1157852012.db2.gz HWSHTJRBJDDNRW-MRXNPFEDSA-N 1 3 309.498 2.391 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cccc(C)c1 ZINC001393999787 1158149676 /nfs/dbraw/zinc/14/96/76/1158149676.db2.gz OVEODGLEAKWZNH-JKSUJKDBSA-N 1 3 305.466 2.320 20 0 DEADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(F)c1)N(C)C ZINC001394527240 1158611964 /nfs/dbraw/zinc/61/19/64/1158611964.db2.gz JIIBGJCVHWFWKL-CJNGLKHVSA-N 1 3 309.429 2.102 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CCCCC[NH3+] ZINC000389897217 685436953 /nfs/dbraw/zinc/43/69/53/685436953.db2.gz ZYQVUMHDEPPMMD-RDJZCZTQSA-N 1 3 303.450 2.142 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CC)C2)C1 ZINC001054245615 693898472 /nfs/dbraw/zinc/89/84/72/693898472.db2.gz WWIBKQNCGCDAEP-WMZOPIPTSA-N 1 3 307.482 2.195 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CC)C2)C1 ZINC001054245615 693898476 /nfs/dbraw/zinc/89/84/76/693898476.db2.gz WWIBKQNCGCDAEP-WMZOPIPTSA-N 1 3 307.482 2.195 20 0 DEADHO CO[C@@H]1CN(C)[C@](C)(COC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000861354462 686060392 /nfs/dbraw/zinc/06/03/92/686060392.db2.gz VUCBUFQGPBQQDT-WMZOPIPTSA-N 1 3 320.433 2.014 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N(C)C[C@@H](C)[NH3+])c1ccsc1 ZINC000861554305 686144376 /nfs/dbraw/zinc/14/43/76/686144376.db2.gz NZGGQOLKPRLART-OCCSQVGLSA-N 1 3 312.483 2.120 20 0 DEADHO C[N@@H+]1CCCC[C@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000862794044 686378583 /nfs/dbraw/zinc/37/85/83/686378583.db2.gz VLXHKKUBGXTRBW-RHSMWYFYSA-N 1 3 313.461 2.047 20 0 DEADHO C[N@H+]1CCCC[C@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000862794044 686378588 /nfs/dbraw/zinc/37/85/88/686378588.db2.gz VLXHKKUBGXTRBW-RHSMWYFYSA-N 1 3 313.461 2.047 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+][C@H]2CCNC23CCC3)C1 ZINC000863481454 686508225 /nfs/dbraw/zinc/50/82/25/686508225.db2.gz DNQWBHJHZZAJSG-UPJWGTAASA-N 1 3 316.392 2.228 20 0 DEADHO CC(C)[NH+]1CCC(CCNC(=O)NCCN2CCCCC2)CC1 ZINC000864414028 686709947 /nfs/dbraw/zinc/70/99/47/686709947.db2.gz IBLHRJKWYTXTTR-UHFFFAOYSA-N 1 3 324.513 2.282 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@H]3C(C)(C)C)CC2)CC1 ZINC000865063993 686929207 /nfs/dbraw/zinc/92/92/07/686929207.db2.gz KNSFYYDFMFPQQH-IAGOWNOFSA-N 1 3 321.509 2.343 20 0 DEADHO C[C@@H](C(=O)N[C@H]1CC[N@H+](CCC2CC2)C1)N1CCCCCC1 ZINC001015795311 687425672 /nfs/dbraw/zinc/42/56/72/687425672.db2.gz OOHMDICGSHXNOD-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H](C(=O)N[C@H]1CC[N@@H+](CCC2CC2)C1)N1CCCCCC1 ZINC001015795311 687425676 /nfs/dbraw/zinc/42/56/76/687425676.db2.gz OOHMDICGSHXNOD-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1CCc2ccc(F)cc2[C@H]1[NH2+]C[C@H](O)CN1CCCC1 ZINC000866244751 687506215 /nfs/dbraw/zinc/50/62/15/687506215.db2.gz TYQSGJVABNMRBU-SKDZVZGDSA-N 1 3 306.425 2.495 20 0 DEADHO C[C@H](F)CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001016329730 687593611 /nfs/dbraw/zinc/59/36/11/687593611.db2.gz MWIVYDPJOAXIQO-GOEBONIOSA-N 1 3 321.440 2.300 20 0 DEADHO C[C@H](F)CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001016329730 687593617 /nfs/dbraw/zinc/59/36/17/687593617.db2.gz MWIVYDPJOAXIQO-GOEBONIOSA-N 1 3 321.440 2.300 20 0 DEADHO CC(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001016614483 687664648 /nfs/dbraw/zinc/66/46/48/687664648.db2.gz ORECRZDUUDPMGE-DLBZAZTESA-N 1 3 321.509 2.486 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC12CC[NH+](CCC(C)C)CC2 ZINC001016949190 687741411 /nfs/dbraw/zinc/74/14/11/687741411.db2.gz CDKUGDYSIBWLDK-MRXNPFEDSA-N 1 3 318.465 2.277 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H](C[N@H+](C)CC2CC2)C1)N(C)C ZINC001017202380 687822942 /nfs/dbraw/zinc/82/29/42/687822942.db2.gz VNEIQCRKMMDVEH-IAGOWNOFSA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC2CC2)C1)N(C)C ZINC001017202380 687822953 /nfs/dbraw/zinc/82/29/53/687822953.db2.gz VNEIQCRKMMDVEH-IAGOWNOFSA-N 1 3 309.498 2.153 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001017209420 687823873 /nfs/dbraw/zinc/82/38/73/687823873.db2.gz PBQGEHAFBAHPBK-NVXWUHKLSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC001017209420 687823879 /nfs/dbraw/zinc/82/38/79/687823879.db2.gz PBQGEHAFBAHPBK-NVXWUHKLSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)N(C)C ZINC001017638779 687930103 /nfs/dbraw/zinc/93/01/03/687930103.db2.gz IQNQIUMQQGYZJX-NCOADZHNSA-N 1 3 309.498 2.294 20 0 DEADHO CC[C@@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)N(C)C ZINC001017638779 687930106 /nfs/dbraw/zinc/93/01/06/687930106.db2.gz IQNQIUMQQGYZJX-NCOADZHNSA-N 1 3 309.498 2.294 20 0 DEADHO C[NH+](C)C1(C)CCC(NC(=O)NC[C@H]2CCN2C(C)(C)C)CC1 ZINC000868758409 688128589 /nfs/dbraw/zinc/12/85/89/688128589.db2.gz TUJKOGAZFHHSRK-SWKXRBFHSA-N 1 3 324.513 2.421 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]CC3=CCCCC3)C2)CCC1 ZINC001018963829 688262776 /nfs/dbraw/zinc/26/27/76/688262776.db2.gz YKXDKMZMORPYMG-INIZCTEOSA-N 1 3 305.466 2.162 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCC2CCCC2)C1)C1CC1 ZINC001018966412 688263076 /nfs/dbraw/zinc/26/30/76/688263076.db2.gz HZCZAVVVDGKASP-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cs1 ZINC001019002332 688268340 /nfs/dbraw/zinc/26/83/40/688268340.db2.gz RCVQNZQETOMIIO-HOTGVXAUSA-N 1 3 323.506 2.333 20 0 DEADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)c1ccc(F)cc1 ZINC001019241692 688305108 /nfs/dbraw/zinc/30/51/08/688305108.db2.gz VAUHQKQZKKPSBK-XOKHGSTOSA-N 1 3 319.424 2.171 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001019337377 688332064 /nfs/dbraw/zinc/33/20/64/688332064.db2.gz HFXOTFYXSCKRER-ZWKOTPCHSA-N 1 3 317.477 2.272 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CCC3CCCC3)C2)CC1 ZINC001019560774 688375474 /nfs/dbraw/zinc/37/54/74/688375474.db2.gz XOVHYXHWCIBRBW-SFHVURJKSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870926417 688688545 /nfs/dbraw/zinc/68/85/45/688688545.db2.gz CNKJLCPFIUTHKY-NRSFXHEJSA-N 1 3 315.461 2.141 20 0 DEADHO CN1CCN(CC[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)CC1(C)C ZINC000872068129 688921737 /nfs/dbraw/zinc/92/17/37/688921737.db2.gz DVKIURTZPIKJBC-HZPDHXFCSA-N 1 3 311.514 2.196 20 0 DEADHO COC(=O)c1cc(CN2CCC(OCCC[NH3+])CC2)ccc1C ZINC000872141603 688934280 /nfs/dbraw/zinc/93/42/80/688934280.db2.gz LLHNZEDUUDNKJA-UHFFFAOYSA-N 1 3 320.433 2.111 20 0 DEADHO [NH3+][C@H](C[C@@H]1CCCN(CC(=O)NCC2CC2)C1)C1CCCC1 ZINC000872158689 688941266 /nfs/dbraw/zinc/94/12/66/688941266.db2.gz XAGVLQZQWRSPLC-DOTOQJQBSA-N 1 3 307.482 2.132 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1C[NH+](CCC2CC2)C1 ZINC001032027400 689044805 /nfs/dbraw/zinc/04/48/05/689044805.db2.gz QUNXMZRKRIXEIA-QGZVFWFLSA-N 1 3 307.482 2.097 20 0 DEADHO CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001032800139 689263866 /nfs/dbraw/zinc/26/38/66/689263866.db2.gz WWUNCKLHIVGFMX-IRXDYDNUSA-N 1 3 301.434 2.057 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001033127571 689398578 /nfs/dbraw/zinc/39/85/78/689398578.db2.gz WAFQJBCXKXKZDD-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033127571 689398582 /nfs/dbraw/zinc/39/85/82/689398582.db2.gz WAFQJBCXKXKZDD-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)[C@H]2CC[N@H+](CC3=CCCCC3)C2)C1 ZINC001033421267 689494472 /nfs/dbraw/zinc/49/44/72/689494472.db2.gz WDVQNWLLSXIOHP-WMZOPIPTSA-N 1 3 319.493 2.361 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)[C@H]2CC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001033421267 689494474 /nfs/dbraw/zinc/49/44/74/689494474.db2.gz WDVQNWLLSXIOHP-WMZOPIPTSA-N 1 3 319.493 2.361 20 0 DEADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001033592478 689554035 /nfs/dbraw/zinc/55/40/35/689554035.db2.gz ZYVMIRSCBUQMPT-CQSZACIVSA-N 1 3 304.438 2.020 20 0 DEADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033592478 689554039 /nfs/dbraw/zinc/55/40/39/689554039.db2.gz ZYVMIRSCBUQMPT-CQSZACIVSA-N 1 3 304.438 2.020 20 0 DEADHO ClC1(Cl)C[C@@H]1CNCC1([NH+]2CCCC2)CCOCC1 ZINC000877019547 689999349 /nfs/dbraw/zinc/99/93/49/689999349.db2.gz ZJYIIXMQEUKPGH-GFCCVEGCSA-N 1 3 307.265 2.415 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001035051895 690021856 /nfs/dbraw/zinc/02/18/56/690021856.db2.gz UHVKVMGEKCGSQG-SJLPKXTDSA-N 1 3 315.461 2.252 20 0 DEADHO CC1CCC(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCCC2)CC1 ZINC001035125803 690033823 /nfs/dbraw/zinc/03/38/23/690033823.db2.gz OIIUSHHMJGSYRE-DAWZGUTISA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC2(CC[N@H+](CC3CC3)C2)CC1)N(C)C ZINC001035226549 690065776 /nfs/dbraw/zinc/06/57/76/690065776.db2.gz KZILNGJJQPSIQZ-QGZVFWFLSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC2(CC[N@@H+](CC3CC3)C2)CC1)N(C)C ZINC001035226549 690065781 /nfs/dbraw/zinc/06/57/81/690065781.db2.gz KZILNGJJQPSIQZ-QGZVFWFLSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000877403899 690103488 /nfs/dbraw/zinc/10/34/88/690103488.db2.gz WKVIMOHNUUWSRD-OWCLPIDISA-N 1 3 307.482 2.288 20 0 DEADHO CC(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001035669488 690147360 /nfs/dbraw/zinc/14/73/60/690147360.db2.gz RRSRFJPJSZRVNI-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C1CC1)N(C)C)CC2 ZINC001035719840 690160157 /nfs/dbraw/zinc/16/01/57/690160157.db2.gz BRRFYBOOFWLYNN-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)CN1CC[C@H](C)C1)CC2 ZINC001035794501 690177890 /nfs/dbraw/zinc/17/78/90/690177890.db2.gz DKFDUENOFVIWOR-SJORKVTESA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)C[NH+]1CC2(C1)CCN(C(=O)CN1CCC[C@@H]1C)CC2 ZINC001035798518 690178779 /nfs/dbraw/zinc/17/87/79/690178779.db2.gz NZECBASXPROOJI-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@@H]1[NH2+]CCF ZINC001036027036 690238859 /nfs/dbraw/zinc/23/88/59/690238859.db2.gz FPSXEIJNOASJPH-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CC1CCC1 ZINC001036055705 690248552 /nfs/dbraw/zinc/24/85/52/690248552.db2.gz RBCOVMIFNGTSSH-ZBFHGGJFSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]([NH2+]CC1CCC1)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001036415973 690345134 /nfs/dbraw/zinc/34/51/34/690345134.db2.gz TYADUYMRISMUKS-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CN(C[C@H]2CCC(C)(C)CO2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000878324296 690379410 /nfs/dbraw/zinc/37/94/10/690379410.db2.gz KLPCCVJXODXOBQ-KURKYZTESA-N 1 3 323.525 2.149 20 0 DEADHO CC(C)[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CN1CCC(C)(C)C1 ZINC001036577809 690389853 /nfs/dbraw/zinc/38/98/53/690389853.db2.gz NLJMCNNHLPZFOR-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CC1(C)C[C@H](CN2CCC(CO)([NH2+]CC3CC3)CC2)C(C)(C)O1 ZINC000878693937 690478069 /nfs/dbraw/zinc/47/80/69/690478069.db2.gz KJTNJBSHDJZJRH-MRXNPFEDSA-N 1 3 324.509 2.407 20 0 DEADHO CC1(C)C[C@H](C[NH+]2CCC(CO)(NCC3CC3)CC2)C(C)(C)O1 ZINC000878693937 690478073 /nfs/dbraw/zinc/47/80/73/690478073.db2.gz KJTNJBSHDJZJRH-MRXNPFEDSA-N 1 3 324.509 2.407 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001037155908 690582543 /nfs/dbraw/zinc/58/25/43/690582543.db2.gz BXGRDNFTEULOKV-CVEARBPZSA-N 1 3 318.465 2.325 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC001037243437 690597552 /nfs/dbraw/zinc/59/75/52/690597552.db2.gz AMALMSKWWQPUBL-JKSUJKDBSA-N 1 3 318.465 2.325 20 0 DEADHO CC[C@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@@H]1[NH2+]CC1CC1 ZINC001037951274 690647740 /nfs/dbraw/zinc/64/77/40/690647740.db2.gz RZSIYXDRKFPPGQ-ROUUACIJSA-N 1 3 321.509 2.345 20 0 DEADHO CN1CC[NH+](C2CCN(C[C@@H]3CCC4(CCCC4)O3)CC2)CC1 ZINC000879596510 690683654 /nfs/dbraw/zinc/68/36/54/690683654.db2.gz NJIOXNVNLTWZEL-SFHVURJKSA-N 1 3 321.509 2.190 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2CCC2=CCCCC2)CC[N@@H+]1C ZINC001038266862 690762346 /nfs/dbraw/zinc/76/23/46/690762346.db2.gz WGVOSVKEKDQEFD-KBAYOESNSA-N 1 3 319.493 2.408 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2CCC2=CCCCC2)CC[N@H+]1C ZINC001038266862 690762349 /nfs/dbraw/zinc/76/23/49/690762349.db2.gz WGVOSVKEKDQEFD-KBAYOESNSA-N 1 3 319.493 2.408 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCC1 ZINC001038322258 690779902 /nfs/dbraw/zinc/77/99/02/690779902.db2.gz QSJUCTBCLWYXJQ-DLBZAZTESA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CCCC1 ZINC001038322258 690779905 /nfs/dbraw/zinc/77/99/05/690779905.db2.gz QSJUCTBCLWYXJQ-DLBZAZTESA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)CCN1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001038440247 690823134 /nfs/dbraw/zinc/82/31/34/690823134.db2.gz BPWVBHNAKVNVSF-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CCN1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001038440247 690823136 /nfs/dbraw/zinc/82/31/36/690823136.db2.gz BPWVBHNAKVNVSF-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CCN2CCC2CC2)cc1 ZINC001038820051 690933890 /nfs/dbraw/zinc/93/38/90/690933890.db2.gz ZWWURRSPMBYLLC-SFHVURJKSA-N 1 3 315.461 2.352 20 0 DEADHO CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001039135135 691029991 /nfs/dbraw/zinc/02/99/91/691029991.db2.gz YJDVGMRTMNZONL-MSOLQXFVSA-N 1 3 321.509 2.297 20 0 DEADHO CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001039135135 691029994 /nfs/dbraw/zinc/02/99/94/691029994.db2.gz YJDVGMRTMNZONL-MSOLQXFVSA-N 1 3 321.509 2.297 20 0 DEADHO CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001039159601 691035377 /nfs/dbraw/zinc/03/53/77/691035377.db2.gz SAWKGEDGWVKMHB-QGZVFWFLSA-N 1 3 321.509 2.299 20 0 DEADHO CC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001039159601 691035380 /nfs/dbraw/zinc/03/53/80/691035380.db2.gz SAWKGEDGWVKMHB-QGZVFWFLSA-N 1 3 321.509 2.299 20 0 DEADHO CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001039163363 691037028 /nfs/dbraw/zinc/03/70/28/691037028.db2.gz BEYPJLWJAPMDEO-FUHWJXTLSA-N 1 3 321.509 2.299 20 0 DEADHO CCC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001039163363 691037030 /nfs/dbraw/zinc/03/70/30/691037030.db2.gz BEYPJLWJAPMDEO-FUHWJXTLSA-N 1 3 321.509 2.299 20 0 DEADHO CCN1CC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000882486483 691293846 /nfs/dbraw/zinc/29/38/46/691293846.db2.gz RXHFYYVLYZMAEO-DLBZAZTESA-N 1 3 303.450 2.280 20 0 DEADHO CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041354481 691366154 /nfs/dbraw/zinc/36/61/54/691366154.db2.gz OEFMPQNETIVGBV-QGZVFWFLSA-N 1 3 307.482 2.195 20 0 DEADHO CCCC[N@H+]1CC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041354481 691366158 /nfs/dbraw/zinc/36/61/58/691366158.db2.gz OEFMPQNETIVGBV-QGZVFWFLSA-N 1 3 307.482 2.195 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@]3(CC[N@H+](CCC4CC4)C3)C2)CCC1 ZINC001041355807 691366586 /nfs/dbraw/zinc/36/65/86/691366586.db2.gz QDKSXVGEWPIQIZ-SFHVURJKSA-N 1 3 319.493 2.195 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@]3(CC[N@@H+](CCC4CC4)C3)C2)CCC1 ZINC001041355807 691366587 /nfs/dbraw/zinc/36/65/87/691366587.db2.gz QDKSXVGEWPIQIZ-SFHVURJKSA-N 1 3 319.493 2.195 20 0 DEADHO CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001041358227 691366613 /nfs/dbraw/zinc/36/66/13/691366613.db2.gz MFUDIMVNHVYFBO-FUHWJXTLSA-N 1 3 307.482 2.051 20 0 DEADHO CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001041358227 691366615 /nfs/dbraw/zinc/36/66/15/691366615.db2.gz MFUDIMVNHVYFBO-FUHWJXTLSA-N 1 3 307.482 2.051 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CC3CCC3)C2)C1)C1CC1 ZINC001041357715 691367377 /nfs/dbraw/zinc/36/73/77/691367377.db2.gz IMHCDEAKKNVPHG-IEBWSBKVSA-N 1 3 319.493 2.051 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1)C1CC1 ZINC001041357715 691367379 /nfs/dbraw/zinc/36/73/79/691367379.db2.gz IMHCDEAKKNVPHG-IEBWSBKVSA-N 1 3 319.493 2.051 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001041845884 691444000 /nfs/dbraw/zinc/44/40/00/691444000.db2.gz QFOWTRPLJPUGCM-MJGOQNOKSA-N 1 3 319.493 2.195 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001041845884 691444001 /nfs/dbraw/zinc/44/40/01/691444001.db2.gz QFOWTRPLJPUGCM-MJGOQNOKSA-N 1 3 319.493 2.195 20 0 DEADHO CN1CC[C@H]([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)[C@H]2CCC[C@H]21 ZINC000883361502 691489525 /nfs/dbraw/zinc/48/95/25/691489525.db2.gz FIWDWSSSPWTRQE-YTWAJWBKSA-N 1 3 316.314 2.007 20 0 DEADHO C[N@@H+]1CC[C@H](NC[C@H](O)C(F)(F)C(F)(F)F)[C@H]2CCC[C@H]21 ZINC000883361502 691489528 /nfs/dbraw/zinc/48/95/28/691489528.db2.gz FIWDWSSSPWTRQE-YTWAJWBKSA-N 1 3 316.314 2.007 20 0 DEADHO C[N@H+]1CC[C@H](NC[C@H](O)C(F)(F)C(F)(F)F)[C@H]2CCC[C@H]21 ZINC000883361502 691489533 /nfs/dbraw/zinc/48/95/33/691489533.db2.gz FIWDWSSSPWTRQE-YTWAJWBKSA-N 1 3 316.314 2.007 20 0 DEADHO C([C@@H]1CCC2(CCOCC2)CO1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000883430096 691507297 /nfs/dbraw/zinc/50/72/97/691507297.db2.gz NBNXYQPQALABQY-OKZBNKHCSA-N 1 3 322.493 2.426 20 0 DEADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@H+](CC3CC3)[C@H]2C1)c1c[nH]cn1 ZINC001042314538 691567689 /nfs/dbraw/zinc/56/76/89/691567689.db2.gz RTOVEZTWEITKGT-GJZGRUSLSA-N 1 3 316.449 2.020 20 0 DEADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@@H+](CC3CC3)[C@H]2C1)c1c[nH]cn1 ZINC001042314538 691567692 /nfs/dbraw/zinc/56/76/92/691567692.db2.gz RTOVEZTWEITKGT-GJZGRUSLSA-N 1 3 316.449 2.020 20 0 DEADHO COCC[C@H](N)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000884185832 691677206 /nfs/dbraw/zinc/67/72/06/691677206.db2.gz IZIZWRRNUGILLF-YOEHRIQHSA-N 1 3 319.449 2.363 20 0 DEADHO COCC[C@H](N)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000884185832 691677209 /nfs/dbraw/zinc/67/72/09/691677209.db2.gz IZIZWRRNUGILLF-YOEHRIQHSA-N 1 3 319.449 2.363 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001044959655 691919931 /nfs/dbraw/zinc/91/99/31/691919931.db2.gz LBFTUSSSBLMSSC-DLBZAZTESA-N 1 3 319.493 2.242 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC1=CCCCC1)N(C)C ZINC001045089697 691936891 /nfs/dbraw/zinc/93/68/91/691936891.db2.gz LXDHJCBXJILUOI-DLBZAZTESA-N 1 3 307.482 2.408 20 0 DEADHO C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1)c1ccccc1 ZINC001045312305 691962353 /nfs/dbraw/zinc/96/23/53/691962353.db2.gz ZKFBGQDQWBRTPN-AEFFLSMTSA-N 1 3 315.461 2.424 20 0 DEADHO CC(C)(C[NH2+][C@@H]1CCOC2(CCOCC2)C1)CN1CCCC1 ZINC000886089607 692001665 /nfs/dbraw/zinc/00/16/65/692001665.db2.gz FNUXBEQIBBJYNT-MRXNPFEDSA-N 1 3 310.482 2.426 20 0 DEADHO CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045944201 692058915 /nfs/dbraw/zinc/05/89/15/692058915.db2.gz ZNMSTCXTZMOQFB-WMZOPIPTSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045944201 692058918 /nfs/dbraw/zinc/05/89/18/692058918.db2.gz ZNMSTCXTZMOQFB-WMZOPIPTSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@]2(CC[N@H+](CC3CC3)C2)C1)N(C)C ZINC001045967071 692064859 /nfs/dbraw/zinc/06/48/59/692064859.db2.gz MHLKUBWYYFETHN-PKOBYXMFSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@]2(CC[N@@H+](CC3CC3)C2)C1)N(C)C ZINC001045967071 692064863 /nfs/dbraw/zinc/06/48/63/692064863.db2.gz MHLKUBWYYFETHN-PKOBYXMFSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](F)CN1CC[C@](C)(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046450826 692190730 /nfs/dbraw/zinc/19/07/30/692190730.db2.gz WSQORAQAFPYHHT-PBHICJAKSA-N 1 3 318.396 2.277 20 0 DEADHO [NH3+][C@H]1CCO[C@H](C2CCN(CCSC(F)(F)F)CC2)C1 ZINC000886840225 692207933 /nfs/dbraw/zinc/20/79/33/692207933.db2.gz XDTIOKMVYUMVGM-RYUDHWBXSA-N 1 3 312.401 2.458 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCC1)C2 ZINC001047190034 692389383 /nfs/dbraw/zinc/38/93/83/692389383.db2.gz JKXLDMFSRMDYJW-JYJNAYRXSA-N 1 3 316.449 2.030 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCC1)C2 ZINC001047190034 692389387 /nfs/dbraw/zinc/38/93/87/692389387.db2.gz JKXLDMFSRMDYJW-JYJNAYRXSA-N 1 3 316.449 2.030 20 0 DEADHO C[C@H]([NH2+]Cc1ccsc1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047986812 692528276 /nfs/dbraw/zinc/52/82/76/692528276.db2.gz FSSCGGRUUCSQGS-JSGCOSHPSA-N 1 3 318.446 2.041 20 0 DEADHO C[C@H]([NH2+]CC1=CCCCC1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047991107 692528742 /nfs/dbraw/zinc/52/87/42/692528742.db2.gz YNNCVHPKTYIYRU-HOCLYGCPSA-N 1 3 316.449 2.279 20 0 DEADHO C[C@@H]([NH2+]CC1CCC1)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001048005118 692531334 /nfs/dbraw/zinc/53/13/34/692531334.db2.gz ABLFBBOGEZQCJC-AEFFLSMTSA-N 1 3 321.509 2.345 20 0 DEADHO CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001048069701 692542850 /nfs/dbraw/zinc/54/28/50/692542850.db2.gz TVNNPDXTYAUPFC-HUUCEWRRSA-N 1 3 303.450 2.208 20 0 DEADHO CC[NH2+]C[C@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC001048480926 692627430 /nfs/dbraw/zinc/62/74/30/692627430.db2.gz WWSVRARGBJRYCN-HOCLYGCPSA-N 1 3 303.450 2.066 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2C1 ZINC001049232064 692795340 /nfs/dbraw/zinc/79/53/40/692795340.db2.gz QQNDQGCKEWZCFA-UOVPBQLFSA-N 1 3 319.493 2.050 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2C[N@H+](CCC3CC3)C[C@@H]2C1 ZINC001049232064 692795341 /nfs/dbraw/zinc/79/53/41/692795341.db2.gz QQNDQGCKEWZCFA-UOVPBQLFSA-N 1 3 319.493 2.050 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001049713306 692972740 /nfs/dbraw/zinc/97/27/40/692972740.db2.gz XOOXXVBQGSQZNB-IXDOHACOSA-N 1 3 309.498 2.294 20 0 DEADHO CC(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001049713306 692972743 /nfs/dbraw/zinc/97/27/43/692972743.db2.gz XOOXXVBQGSQZNB-IXDOHACOSA-N 1 3 309.498 2.294 20 0 DEADHO COCC[N@@H+](Cc1ccc([O-])c(F)c1)CC1CC[NH+](C)CC1 ZINC000895692420 692998066 /nfs/dbraw/zinc/99/80/66/692998066.db2.gz RGSFTWPLYBWPDY-UHFFFAOYSA-N 1 3 310.413 2.322 20 0 DEADHO COCC[N@H+](Cc1ccc([O-])c(F)c1)CC1CC[NH+](C)CC1 ZINC000895692420 692998068 /nfs/dbraw/zinc/99/80/68/692998068.db2.gz RGSFTWPLYBWPDY-UHFFFAOYSA-N 1 3 310.413 2.322 20 0 DEADHO CCCC[NH+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)CC1 ZINC001050553336 693205618 /nfs/dbraw/zinc/20/56/18/693205618.db2.gz AUQXRQVBSHYPRD-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CC[NH+](CC2CCC2)CC3)C1 ZINC001050662962 693227047 /nfs/dbraw/zinc/22/70/47/693227047.db2.gz NZLIMQUYBHSBNY-INIZCTEOSA-N 1 3 319.493 2.053 20 0 DEADHO CC(C)(C)CC[NH+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001050681498 693231008 /nfs/dbraw/zinc/23/10/08/693231008.db2.gz KNSGJBLWRGDHEW-UHFFFAOYSA-N 1 3 318.465 2.313 20 0 DEADHO C[C@H]1CC2(CC([NH2+]CCCCN3C[C@@H](C)O[C@@H](C)C3)C2)CO1 ZINC000925440499 693273572 /nfs/dbraw/zinc/27/35/72/693273572.db2.gz SNDPKDLYQWKIAC-HYLCPLCXSA-N 1 3 310.482 2.423 20 0 DEADHO COc1cc(OC)cc([C@H](O)CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925500977 693283644 /nfs/dbraw/zinc/28/36/44/693283644.db2.gz ANGLLWJYVSIBJH-JJRVBVJISA-N 1 3 322.449 2.233 20 0 DEADHO c1ccc([C@H](CN2CCCC2)N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1 ZINC000925518311 693287510 /nfs/dbraw/zinc/28/75/10/693287510.db2.gz OQHMSWMRRKQOMM-SIRBJWHBSA-N 1 3 311.473 2.410 20 0 DEADHO COc1ccc(OC)c([C@H](O)CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925537646 693292063 /nfs/dbraw/zinc/29/20/63/693292063.db2.gz LDFMLDLZJOBHGF-HEHGZKQESA-N 1 3 322.449 2.233 20 0 DEADHO COc1cc(CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)ccc1OCCO ZINC000925612942 693308804 /nfs/dbraw/zinc/30/88/04/693308804.db2.gz OMBKXGHOEOBRCU-HUUCEWRRSA-N 1 3 322.449 2.062 20 0 DEADHO COC(=O)N1CCC(C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925670119 693322108 /nfs/dbraw/zinc/32/21/08/693322108.db2.gz HBWYNZMMWHKMPF-IAGOWNOFSA-N 1 3 323.481 2.223 20 0 DEADHO CCC[C@H](C)C(=O)NCCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925678725 693323982 /nfs/dbraw/zinc/32/39/82/693323982.db2.gz WYOFKZSFYSHMTB-UAGQMJEPSA-N 1 3 309.498 2.297 20 0 DEADHO CN1CC[C@H]([N@@H+]2CCOc3ccc(N)cc3C2)[C@@H]2CCC[C@@H]21 ZINC000925754899 693335907 /nfs/dbraw/zinc/33/59/07/693335907.db2.gz RQZXHATXAAFBCP-IKGGRYGDSA-N 1 3 301.434 2.336 20 0 DEADHO CN1CC[C@H]([N@H+]2CCOc3ccc(N)cc3C2)[C@@H]2CCC[C@@H]21 ZINC000925754899 693335913 /nfs/dbraw/zinc/33/59/13/693335913.db2.gz RQZXHATXAAFBCP-IKGGRYGDSA-N 1 3 301.434 2.336 20 0 DEADHO CC1(C)C[C@H]([NH3+])C[C@@H](NCc2ccc(N3CCNC3=O)cc2)C1 ZINC000925758636 693336369 /nfs/dbraw/zinc/33/63/69/693336369.db2.gz FXIOGCLPTRXRAR-HUUCEWRRSA-N 1 3 316.449 2.212 20 0 DEADHO COc1ccc(F)cc1CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000925776343 693339964 /nfs/dbraw/zinc/33/99/64/693339964.db2.gz XAMXBGGMVPRQCA-GVDBMIGSSA-N 1 3 322.424 2.124 20 0 DEADHO Cc1cc(C(F)(F)F)nn1CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000925805295 693344365 /nfs/dbraw/zinc/34/43/65/693344365.db2.gz SAMGGMCNPBNTRL-NEPJUHHUSA-N 1 3 304.360 2.460 20 0 DEADHO C[C@@H](CN(C)CCC[NH+](C)C)N[C@@H](C)c1cn2c(n1)CCCC2 ZINC000926683845 693491814 /nfs/dbraw/zinc/49/18/14/693491814.db2.gz AKTJFNUWDODDNE-HOTGVXAUSA-N 1 3 321.513 2.142 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001052368332 693516978 /nfs/dbraw/zinc/51/69/78/693516978.db2.gz JHHQKFHBCFBBJF-IAGOWNOFSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001052368332 693516982 /nfs/dbraw/zinc/51/69/82/693516982.db2.gz JHHQKFHBCFBBJF-IAGOWNOFSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@@H](CN1CCOCC1)[NH2+]C1CCN(CCC(C)C)CC1 ZINC000926899980 693526746 /nfs/dbraw/zinc/52/67/46/693526746.db2.gz VXYCEFCFQOEZDL-KRWDZBQOSA-N 1 3 311.514 2.197 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CC2)CC1 ZINC001052428387 693531912 /nfs/dbraw/zinc/53/19/12/693531912.db2.gz HOLRSQCGUQBRDL-IRXDYDNUSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CC2)CC1 ZINC001052428387 693531915 /nfs/dbraw/zinc/53/19/15/693531915.db2.gz HOLRSQCGUQBRDL-IRXDYDNUSA-N 1 3 307.482 2.242 20 0 DEADHO OC[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C1 ZINC000927144080 693559985 /nfs/dbraw/zinc/55/99/85/693559985.db2.gz JGDZCRQAJCWIPW-IEWDOMPSSA-N 1 3 300.446 2.258 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001052702284 693599293 /nfs/dbraw/zinc/59/92/93/693599293.db2.gz LYDCYKRASMEHGH-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001052702284 693599295 /nfs/dbraw/zinc/59/92/95/693599295.db2.gz LYDCYKRASMEHGH-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053097362 693688913 /nfs/dbraw/zinc/68/89/13/693688913.db2.gz FBWONIPEZBMMJX-RDJZCZTQSA-N 1 3 318.465 2.454 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053097362 693688918 /nfs/dbraw/zinc/68/89/18/693688918.db2.gz FBWONIPEZBMMJX-RDJZCZTQSA-N 1 3 318.465 2.454 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CCC[N@H+](CC2CCCC2)C1)N(C)C ZINC001376065996 1159081150 /nfs/dbraw/zinc/08/11/50/1159081150.db2.gz WJYKOYHSSZBVND-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)C1)N(C)C ZINC001376065996 1159081160 /nfs/dbraw/zinc/08/11/60/1159081160.db2.gz WJYKOYHSSZBVND-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CN(CC(=O)NC[C@@H]([NH2+]Cc1ccsc1)C1CC1)C1CCC1 ZINC001402309659 1162321918 /nfs/dbraw/zinc/32/19/18/1162321918.db2.gz JCIGVSDRRPYWGA-MRXNPFEDSA-N 1 3 321.490 2.217 20 0 DEADHO CC/C=C/CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC001332425270 1149859357 /nfs/dbraw/zinc/85/93/57/1149859357.db2.gz ZDQCJYFHBKACGU-LLYBFZRZSA-N 1 3 304.438 2.135 20 0 DEADHO CC[N@@H+]1CC[C@@H](CNCCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC001335395377 1150405907 /nfs/dbraw/zinc/40/59/07/1150405907.db2.gz UTNBMEOZBWJMTL-LBPRGKRZSA-N 1 3 311.376 2.225 20 0 DEADHO CC[N@H+]1CC[C@@H](CNCCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC001335395377 1150405919 /nfs/dbraw/zinc/40/59/19/1150405919.db2.gz UTNBMEOZBWJMTL-LBPRGKRZSA-N 1 3 311.376 2.225 20 0 DEADHO CCN1CC[C@@H](C[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC001335395377 1150405929 /nfs/dbraw/zinc/40/59/29/1150405929.db2.gz UTNBMEOZBWJMTL-LBPRGKRZSA-N 1 3 311.376 2.225 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](COC(=O)C2CCCN(C3CC3)C2=O)C1 ZINC001345072025 1150863014 /nfs/dbraw/zinc/86/30/14/1150863014.db2.gz SUUWYRBISWXBHF-GOEBONIOSA-N 1 3 322.449 2.051 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](COC(=O)C2CCCN(C3CC3)C2=O)C1 ZINC001345072025 1150863016 /nfs/dbraw/zinc/86/30/16/1150863016.db2.gz SUUWYRBISWXBHF-GOEBONIOSA-N 1 3 322.449 2.051 20 0 DEADHO CN(CCC[N@H+](C)CCC1CCCC1)C(=O)Cc1c[nH]cn1 ZINC001402649565 1162426995 /nfs/dbraw/zinc/42/69/95/1162426995.db2.gz CTIIOHIJMIGXAG-UHFFFAOYSA-N 1 3 306.454 2.313 20 0 DEADHO CN(CCC[N@@H+](C)CCC1CCCC1)C(=O)Cc1c[nH]cn1 ZINC001402649565 1162426999 /nfs/dbraw/zinc/42/69/99/1162426999.db2.gz CTIIOHIJMIGXAG-UHFFFAOYSA-N 1 3 306.454 2.313 20 0 DEADHO CCC[C@@H]1CC(=O)N(CN2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)C1 ZINC001352759802 1151776075 /nfs/dbraw/zinc/77/60/75/1151776075.db2.gz GNIJVSAEKOUVJD-TWMKSMIVSA-N 1 3 307.482 2.255 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3CCC4(CCC4)C3=O)C[C@@H]2C1 ZINC001356055064 1152055034 /nfs/dbraw/zinc/05/50/34/1152055034.db2.gz ACIPTGXVJXBZCR-OWCLPIDISA-N 1 3 305.466 2.009 20 0 DEADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@H]1CCC[N@H+](CCCF)C1 ZINC001402767803 1162465381 /nfs/dbraw/zinc/46/53/81/1162465381.db2.gz RFHGEJQZIJAZJL-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@H]1CCC[N@@H+](CCCF)C1 ZINC001402767803 1162465382 /nfs/dbraw/zinc/46/53/82/1162465382.db2.gz RFHGEJQZIJAZJL-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO CC1CCN(CC[C@H]2CCC[N@@H+]2C[C@]2(O)CCCOC2)CC1 ZINC001414038049 1152544194 /nfs/dbraw/zinc/54/41/94/1152544194.db2.gz UACHAULMBMANAN-QZTJIDSGSA-N 1 3 310.482 2.114 20 0 DEADHO CC1CCN(CC[C@H]2CCC[N@H+]2C[C@]2(O)CCCOC2)CC1 ZINC001414038049 1152544195 /nfs/dbraw/zinc/54/41/95/1152544195.db2.gz UACHAULMBMANAN-QZTJIDSGSA-N 1 3 310.482 2.114 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccsc1)C1CC1)N(C)C ZINC001379908982 1152712379 /nfs/dbraw/zinc/71/23/79/1152712379.db2.gz LJHMZOKOZHGGHR-HOTGVXAUSA-N 1 3 323.506 2.319 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCC1)N(C)C ZINC001380021390 1152732687 /nfs/dbraw/zinc/73/26/87/1152732687.db2.gz PHONJPGLQXDRCT-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH+]1CCC(C)CC1 ZINC001361981128 1152792769 /nfs/dbraw/zinc/79/27/69/1152792769.db2.gz VGZZLFAXPCUAPN-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)N[C@@]1(C)CC[N@H+](CC2CCC2)C1)N(CC)CC ZINC001380363980 1152798563 /nfs/dbraw/zinc/79/85/63/1152798563.db2.gz XUPJZAGIIDWMOG-WMZOPIPTSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)N[C@@]1(C)CC[N@@H+](CC2CCC2)C1)N(CC)CC ZINC001380363980 1152798566 /nfs/dbraw/zinc/79/85/66/1152798566.db2.gz XUPJZAGIIDWMOG-WMZOPIPTSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](CC[NH+](C)C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001362214696 1152852256 /nfs/dbraw/zinc/85/22/56/1152852256.db2.gz HILYRUYMNLIGCH-AEFFLSMTSA-N 1 3 317.477 2.355 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001362325004 1152877916 /nfs/dbraw/zinc/87/79/16/1152877916.db2.gz HSDUYZZCCPBBSH-TZMCWYRMSA-N 1 3 304.438 2.030 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001362325004 1152877920 /nfs/dbraw/zinc/87/79/20/1152877920.db2.gz HSDUYZZCCPBBSH-TZMCWYRMSA-N 1 3 304.438 2.030 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC001362630369 1153017509 /nfs/dbraw/zinc/01/75/09/1153017509.db2.gz FKLOISPGYSODMM-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001402908760 1162530724 /nfs/dbraw/zinc/53/07/24/1162530724.db2.gz AQTKTSQWZOPLRJ-GXTWGEPZSA-N 1 3 319.440 2.246 20 0 DEADHO Cc1ccc(F)cc1C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001402914532 1162535012 /nfs/dbraw/zinc/53/50/12/1162535012.db2.gz QKGGDXZGIDDLMT-PBHICJAKSA-N 1 3 323.456 2.315 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C1C[NH+](CCC(C)(C)C)C1 ZINC001381801815 1153230037 /nfs/dbraw/zinc/23/00/37/1153230037.db2.gz FOMPLILRWIHVFT-GFCCVEGCSA-N 1 3 306.454 2.133 20 0 DEADHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)NCc1ccccc1F ZINC001382116189 1153363079 /nfs/dbraw/zinc/36/30/79/1153363079.db2.gz FYPHOFXNHKQHQX-CQSZACIVSA-N 1 3 321.440 2.104 20 0 DEADHO Cc1ccc(F)cc1C[NH2+][C@H](C)CN(C)C(=O)CN(C)C(C)C ZINC001382163125 1153383830 /nfs/dbraw/zinc/38/38/30/1153383830.db2.gz HGLPEDFGZQHSRK-OAHLLOKOSA-N 1 3 323.456 2.411 20 0 DEADHO C[C@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)[C@@H]1CCCOC1 ZINC001363427888 1153396724 /nfs/dbraw/zinc/39/67/24/1153396724.db2.gz LQYSGWWGPJGYBI-KNXWPPODSA-N 1 3 310.482 2.425 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C1CC[NH+](CCC2CC2)CC1 ZINC001382563797 1153471963 /nfs/dbraw/zinc/47/19/63/1153471963.db2.gz JAVZNESFBXFENF-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)CN1CCOCC1 ZINC001363806846 1153640341 /nfs/dbraw/zinc/64/03/41/1153640341.db2.gz SYKPVTVPKDSSBB-FGTMMUONSA-N 1 3 323.525 2.197 20 0 DEADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)NC/C=C/Cl ZINC001402972130 1162588886 /nfs/dbraw/zinc/58/88/86/1162588886.db2.gz WMMDFJBMGCEFJZ-DNGMOHDESA-N 1 3 315.889 2.345 20 0 DEADHO CCc1ccc(C[NH2+][C@H](C)CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001403012713 1162624385 /nfs/dbraw/zinc/62/43/85/1162624385.db2.gz UQRGIPWPNLJJGL-HZPDHXFCSA-N 1 3 317.477 2.185 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 ZINC001388749694 1155080262 /nfs/dbraw/zinc/08/02/62/1155080262.db2.gz XFSWLUXKQGFRHF-QAQDUYKDSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CN(C)C(C)C)cc1F ZINC001403060216 1162678038 /nfs/dbraw/zinc/67/80/38/1162678038.db2.gz ZXJBPDWRIFDYAN-GJZGRUSLSA-N 1 3 323.456 2.457 20 0 DEADHO CC(C)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCF)N(C)C ZINC001389936645 1155475373 /nfs/dbraw/zinc/47/53/73/1155475373.db2.gz GEVPPFBWCKTJEV-WTXIUTQJSA-N 1 3 313.461 2.044 20 0 DEADHO CC(C)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCF)N(C)C ZINC001389936645 1155475376 /nfs/dbraw/zinc/47/53/76/1155475376.db2.gz GEVPPFBWCKTJEV-WTXIUTQJSA-N 1 3 313.461 2.044 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001390011630 1155498924 /nfs/dbraw/zinc/49/89/24/1155498924.db2.gz QOJVEHIBXGORRO-CALCHBBNSA-N 1 3 317.477 2.382 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC001390066511 1155517888 /nfs/dbraw/zinc/51/78/88/1155517888.db2.gz UXNVAGVTGADQRC-ZDUSSCGKSA-N 1 3 323.403 2.107 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC001390066511 1155517889 /nfs/dbraw/zinc/51/78/89/1155517889.db2.gz UXNVAGVTGADQRC-ZDUSSCGKSA-N 1 3 323.403 2.107 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCc1cccs1 ZINC001390353684 1155669709 /nfs/dbraw/zinc/66/97/09/1155669709.db2.gz AKNRNWQBHBELFN-GDBMZVCRSA-N 1 3 323.506 2.258 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CC1CC(C)C1 ZINC001390384985 1155690485 /nfs/dbraw/zinc/69/04/85/1155690485.db2.gz PTNCSNPFIKZPAR-PCKAHOCUSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C)cc1C)N(C)C ZINC001390483255 1155754640 /nfs/dbraw/zinc/75/46/40/1155754640.db2.gz PYWXHHFSURSCLF-WBVHZDCISA-N 1 3 305.466 2.238 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001390531621 1155795133 /nfs/dbraw/zinc/79/51/33/1155795133.db2.gz FDCHBTXRYBGNBZ-ZIAGYGMSSA-N 1 3 319.440 2.246 20 0 DEADHO CC[C@H]([NH2+]CCN(C)C(=O)Cc1c[nH]cn1)c1ccccc1 ZINC001391209544 1156253857 /nfs/dbraw/zinc/25/38/57/1156253857.db2.gz CSROHZYMWQURJD-INIZCTEOSA-N 1 3 300.406 2.152 20 0 DEADHO CC(C)[NH2+][C@@H](CNC(=O)CN1CC[C@@H](C)C1)c1ccccc1 ZINC001391244960 1156280416 /nfs/dbraw/zinc/28/04/16/1156280416.db2.gz NDVNKAOXALPNIR-WBVHZDCISA-N 1 3 303.450 2.184 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC(C[N@H+](C)C/C=C/Cl)CC1 ZINC001391365381 1156362924 /nfs/dbraw/zinc/36/29/24/1156362924.db2.gz MXQHBGYIKWXZNT-VMPITWQZSA-N 1 3 315.889 2.250 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC(C[N@@H+](C)C/C=C/Cl)CC1 ZINC001391365381 1156362930 /nfs/dbraw/zinc/36/29/30/1156362930.db2.gz MXQHBGYIKWXZNT-VMPITWQZSA-N 1 3 315.889 2.250 20 0 DEADHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccc(C)cc1 ZINC001391720098 1156736340 /nfs/dbraw/zinc/73/63/40/1156736340.db2.gz LSSCGALCRRBDBX-WMZOPIPTSA-N 1 3 317.477 2.321 20 0 DEADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccc(C)c(F)c1 ZINC001391757575 1156780498 /nfs/dbraw/zinc/78/04/98/1156780498.db2.gz ZQLWCDVPFGIPHI-MRXNPFEDSA-N 1 3 323.456 2.459 20 0 DEADHO CCCN(C)CC(=O)NCCC1CC[NH+](C/C=C/Cl)CC1 ZINC001391847071 1156815559 /nfs/dbraw/zinc/81/55/59/1156815559.db2.gz JWZBHMQCDTZJGU-XBXARRHUSA-N 1 3 315.889 2.299 20 0 DEADHO C[C@H](C[NH2+]Cc1ccc(F)cc1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001392102226 1156867787 /nfs/dbraw/zinc/86/77/87/1156867787.db2.gz RLNFRDVPYDYGRI-LSDHHAIUSA-N 1 3 321.440 2.104 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC2CCC2)C1 ZINC001392187543 1156885224 /nfs/dbraw/zinc/88/52/24/1156885224.db2.gz IDBMXDVTAIKDGV-RDJZCZTQSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1ccc(CN(C)CCN(C)C(=O)CC[NH+](C)C)cc1C ZINC001392304949 1157007457 /nfs/dbraw/zinc/00/74/57/1157007457.db2.gz SJFXNJDZMZSKHV-UHFFFAOYSA-N 1 3 305.466 2.145 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)CN(C)C2CCC2)cc1F ZINC001392483247 1157069343 /nfs/dbraw/zinc/06/93/43/1157069343.db2.gz WONCOANNEUSDLZ-CQSZACIVSA-N 1 3 321.440 2.213 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001392564681 1157138263 /nfs/dbraw/zinc/13/82/63/1157138263.db2.gz KNQYUEXPZWEBBW-WMZOPIPTSA-N 1 3 317.477 2.462 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCc2ccccc21)N(C)C ZINC001392573608 1157151684 /nfs/dbraw/zinc/15/16/84/1157151684.db2.gz GDIBCGNFBZLOEZ-RRQGHBQHSA-N 1 3 303.450 2.108 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCc2c1cccc2F)N(C)C ZINC001392592390 1157179079 /nfs/dbraw/zinc/17/90/79/1157179079.db2.gz DOIXKDBSDHGUBZ-VUCTXSBTSA-N 1 3 321.440 2.248 20 0 DEADHO Cc1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001392661991 1157310411 /nfs/dbraw/zinc/31/04/11/1157310411.db2.gz RIJMJHXAFYZMFQ-MRXNPFEDSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1cccc(C[N@H+](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001392661991 1157310422 /nfs/dbraw/zinc/31/04/22/1157310422.db2.gz RIJMJHXAFYZMFQ-MRXNPFEDSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)CN2CC[C@@H](C)C2)c1 ZINC001392683198 1157331659 /nfs/dbraw/zinc/33/16/59/1157331659.db2.gz IAOSRVZHAIHYDL-IAGOWNOFSA-N 1 3 317.477 2.273 20 0 DEADHO Cc1cccc(C[N@H+](C)C[C@@H](C)NC(=O)CN2CC[C@@H](C)C2)c1 ZINC001392683198 1157331667 /nfs/dbraw/zinc/33/16/67/1157331667.db2.gz IAOSRVZHAIHYDL-IAGOWNOFSA-N 1 3 317.477 2.273 20 0 DEADHO CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NCC=C(Cl)Cl ZINC001373795751 1157369893 /nfs/dbraw/zinc/36/98/93/1157369893.db2.gz ZDZVURBTYTWGDO-NSHDSACASA-N 1 3 322.280 2.132 20 0 DEADHO Cc1cccc([C@@H](C)N(C)CCNC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001492816962 1157579424 /nfs/dbraw/zinc/57/94/24/1157579424.db2.gz NEPKBLHISADVAL-SJORKVTESA-N 1 3 317.477 2.446 20 0 DEADHO Cc1cccc([C@@H](C)N(C)CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001492816962 1157579441 /nfs/dbraw/zinc/57/94/41/1157579441.db2.gz NEPKBLHISADVAL-SJORKVTESA-N 1 3 317.477 2.446 20 0 DEADHO C[C@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)NC/C(Cl)=C/Cl ZINC001403438960 1162882542 /nfs/dbraw/zinc/88/25/42/1162882542.db2.gz AUMDFDMLJPHYKZ-YZDJHDEESA-N 1 3 322.280 2.132 20 0 DEADHO C[C@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)NC/C(Cl)=C/Cl ZINC001403438960 1162882543 /nfs/dbraw/zinc/88/25/43/1162882543.db2.gz AUMDFDMLJPHYKZ-YZDJHDEESA-N 1 3 322.280 2.132 20 0 DEADHO CC(C)CC[NH+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)CC1 ZINC001393499279 1157843835 /nfs/dbraw/zinc/84/38/35/1157843835.db2.gz DJFVHLCKYMJMJP-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H](NC(=O)C(C)(C)N1CCCC1)[C@H](C)[NH2+]CCC(F)(F)F ZINC001393964926 1158104217 /nfs/dbraw/zinc/10/42/17/1158104217.db2.gz ULMSGCIEGCPTGU-RYUDHWBXSA-N 1 3 323.403 2.296 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@H+](C)CCc1ccccc1 ZINC001375161486 1158362559 /nfs/dbraw/zinc/36/25/59/1158362559.db2.gz VKCSDXCFYGBRAF-INIZCTEOSA-N 1 3 305.466 2.006 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)CCc1ccccc1 ZINC001375161486 1158362567 /nfs/dbraw/zinc/36/25/67/1158362567.db2.gz VKCSDXCFYGBRAF-INIZCTEOSA-N 1 3 305.466 2.006 20 0 DEADHO CC(C)[NH2+]C[C@@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001375255957 1158412422 /nfs/dbraw/zinc/41/24/22/1158412422.db2.gz DKVFQIXIOLJYLN-PBHICJAKSA-N 1 3 313.461 2.092 20 0 DEADHO C[C@H](F)CCN1CC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001375372531 1158549950 /nfs/dbraw/zinc/54/99/50/1158549950.db2.gz FDVPNTWEVMOXMC-HOTGVXAUSA-N 1 3 313.461 2.191 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)NCC2(NC[C@H](F)CC)CC2)C1 ZINC001375481435 1158745207 /nfs/dbraw/zinc/74/52/07/1158745207.db2.gz UMHYCIVRJXMQOA-LSDHHAIUSA-N 1 3 313.461 2.095 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)NCC2(NC[C@H](F)CC)CC2)C1 ZINC001375481435 1158745219 /nfs/dbraw/zinc/74/52/19/1158745219.db2.gz UMHYCIVRJXMQOA-LSDHHAIUSA-N 1 3 313.461 2.095 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C[C@H]1CCN1CC1CC1)[NH+]1CCCC1 ZINC001375482442 1158748333 /nfs/dbraw/zinc/74/83/33/1158748333.db2.gz WZDSLPOOLSLGJB-IAGOWNOFSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCC2)C1)N(C)C ZINC001375537325 1158806206 /nfs/dbraw/zinc/80/62/06/1158806206.db2.gz PCIBAPLZVSNYIG-ULQDDVLXSA-N 1 3 309.498 2.247 20 0 DEADHO Cc1ccc(CN2CCC[C@H](NC(=O)CC[NH+](C)C)C2)cc1C ZINC001376067647 1159082506 /nfs/dbraw/zinc/08/25/06/1159082506.db2.gz CVIYKNKRUSRIBR-SFHVURJKSA-N 1 3 317.477 2.336 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC2(C[C@H]2NC(=O)C2(N(C)C)CCC2)CC1 ZINC001376175336 1159191627 /nfs/dbraw/zinc/19/16/27/1159191627.db2.gz UUUWNTKKNGHRHH-HZPDHXFCSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cccc(C)c1 ZINC001376728435 1159732090 /nfs/dbraw/zinc/73/20/90/1159732090.db2.gz CAIPMSGFFGKFOE-WMZOPIPTSA-N 1 3 317.477 2.464 20 0 DEADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001377100043 1159899462 /nfs/dbraw/zinc/89/94/62/1159899462.db2.gz MBNMTFVKRQCVTG-HOCLYGCPSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@@H](C(=O)N1CCC(CC)([NH2+]C/C=C/Cl)CC1)N(C)C ZINC001377122858 1159923759 /nfs/dbraw/zinc/92/37/59/1159923759.db2.gz HEWFBROEUZVLBT-RNVIBTMRSA-N 1 3 315.889 2.440 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)N(C)C ZINC001397124550 1160003876 /nfs/dbraw/zinc/00/38/76/1160003876.db2.gz VCCNEXJKOONXEY-BRWVUGGUSA-N 1 3 309.498 2.391 20 0 DEADHO CN(CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)Cc1ccccc1 ZINC001403695087 1163096135 /nfs/dbraw/zinc/09/61/35/1163096135.db2.gz DYHFTIULUWYHAD-QZTJIDSGSA-N 1 3 315.461 2.252 20 0 DEADHO CN(CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)Cc1ccccc1 ZINC001403695087 1163096144 /nfs/dbraw/zinc/09/61/44/1163096144.db2.gz DYHFTIULUWYHAD-QZTJIDSGSA-N 1 3 315.461 2.252 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(CCC(F)(F)F)[C@H](C)C1 ZINC001377375535 1160301540 /nfs/dbraw/zinc/30/15/40/1160301540.db2.gz AZRVEYZIKAVVIZ-OLZOCXBDSA-N 1 3 323.403 2.250 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCC(F)(F)F)[C@H](C)C1 ZINC001377375535 1160301550 /nfs/dbraw/zinc/30/15/50/1160301550.db2.gz AZRVEYZIKAVVIZ-OLZOCXBDSA-N 1 3 323.403 2.250 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@H](C)[NH2+]CC2CCC2)CC1 ZINC001377606199 1160582350 /nfs/dbraw/zinc/58/23/50/1160582350.db2.gz IHRPTFKTUVVLGU-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CCC[N@H+](CC2CC(C)C2)C1)N(C)C ZINC001377837436 1160844643 /nfs/dbraw/zinc/84/46/43/1160844643.db2.gz GZIZHCURNGOCIM-GQGLESIBSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC2CC(C)C2)C1)N(C)C ZINC001377837436 1160844648 /nfs/dbraw/zinc/84/46/48/1160844648.db2.gz GZIZHCURNGOCIM-GQGLESIBSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+](CC2CCCC2)C1)N(C)C ZINC001377847560 1160850225 /nfs/dbraw/zinc/85/02/25/1160850225.db2.gz WJYKOYHSSZBVND-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)C1)N(C)C ZINC001377847560 1160850226 /nfs/dbraw/zinc/85/02/26/1160850226.db2.gz WJYKOYHSSZBVND-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](NCc1ccns1)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001377918735 1160871069 /nfs/dbraw/zinc/87/10/69/1160871069.db2.gz VLOVFIJVWWHCTA-KBPBESRZSA-N 1 3 324.494 2.002 20 0 DEADHO CN(C)C1(C(=O)NC[C@@H]([NH2+]Cc2ccccc2)C2CC2)CCC1 ZINC001398418716 1160883185 /nfs/dbraw/zinc/88/31/85/1160883185.db2.gz XTLZFOVAYBDCHV-QGZVFWFLSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1)c1ccccc1 ZINC001398631318 1161027477 /nfs/dbraw/zinc/02/74/77/1161027477.db2.gz XOMFOYBXZUHEQS-OIISXLGYSA-N 1 3 315.461 2.469 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1cc(C)cc(C)c1)N(C)C ZINC001398992724 1161180666 /nfs/dbraw/zinc/18/06/66/1161180666.db2.gz ZXMVJNNXSXHJKE-DOTOQJQBSA-N 1 3 305.466 2.238 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]C/C=C/c1ccccc1 ZINC001399023574 1161193495 /nfs/dbraw/zinc/19/34/95/1161193495.db2.gz LNVWPBSFNQKCRY-QOCAVEGASA-N 1 3 315.461 2.136 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001399232752 1161294988 /nfs/dbraw/zinc/29/49/88/1161294988.db2.gz VFLFKLKMGYEPOR-KRWDZBQOSA-N 1 3 317.477 2.336 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)NCc1nccs1 ZINC001399322246 1161346632 /nfs/dbraw/zinc/34/66/32/1161346632.db2.gz UNOINIUPMJOWPB-ZIAGYGMSSA-N 1 3 324.494 2.000 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)NCc1nccs1 ZINC001399322246 1161346642 /nfs/dbraw/zinc/34/66/42/1161346642.db2.gz UNOINIUPMJOWPB-ZIAGYGMSSA-N 1 3 324.494 2.000 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)Cc2cccc(C)c2)CC[N@@H+]1C ZINC001399487881 1161421152 /nfs/dbraw/zinc/42/11/52/1161421152.db2.gz ZYSAHLDWZCWFRO-ZWKOTPCHSA-N 1 3 317.477 2.273 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)Cc2cccc(C)c2)CC[N@H+]1C ZINC001399487881 1161421155 /nfs/dbraw/zinc/42/11/55/1161421155.db2.gz ZYSAHLDWZCWFRO-ZWKOTPCHSA-N 1 3 317.477 2.273 20 0 DEADHO C[C@@H]1CC[N@H+](CC(=O)NCCN(C)C/C=C\c2ccccc2)C1 ZINC001399576028 1161463020 /nfs/dbraw/zinc/46/30/20/1161463020.db2.gz GCPOKNDHGSDBPD-UXHZXRBQSA-N 1 3 315.461 2.090 20 0 DEADHO C[C@@H]1CC[N@@H+](CC(=O)NCCN(C)C/C=C\c2ccccc2)C1 ZINC001399576028 1161463024 /nfs/dbraw/zinc/46/30/24/1161463024.db2.gz GCPOKNDHGSDBPD-UXHZXRBQSA-N 1 3 315.461 2.090 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[N@H+](CC3CC(C)(C)C3)C2)C1 ZINC001399932208 1161611009 /nfs/dbraw/zinc/61/10/09/1161611009.db2.gz MZOYFNISBRGYEV-JKSUJKDBSA-N 1 3 321.509 2.203 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[N@@H+](CC3CC(C)(C)C3)C2)C1 ZINC001399932208 1161611012 /nfs/dbraw/zinc/61/10/12/1161611012.db2.gz MZOYFNISBRGYEV-JKSUJKDBSA-N 1 3 321.509 2.203 20 0 DEADHO CCc1cccc(CN2CC[C@@H](NC(=O)CC[N@@H+](C)CC)C2)c1 ZINC001400678900 1161799213 /nfs/dbraw/zinc/79/92/13/1161799213.db2.gz RFBFPSHKRJFDLO-GOSISDBHSA-N 1 3 317.477 2.281 20 0 DEADHO CCc1cccc(CN2CC[C@@H](NC(=O)CC[N@H+](C)CC)C2)c1 ZINC001400678900 1161799216 /nfs/dbraw/zinc/79/92/16/1161799216.db2.gz RFBFPSHKRJFDLO-GOSISDBHSA-N 1 3 317.477 2.281 20 0 DEADHO CCN(C(=O)CC[NH+](C)C)[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001400765863 1161816782 /nfs/dbraw/zinc/81/67/82/1161816782.db2.gz LDLBIYBIEMHKGW-SFHVURJKSA-N 1 3 317.477 2.370 20 0 DEADHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCC1CCCC1 ZINC001400850585 1161834344 /nfs/dbraw/zinc/83/43/44/1161834344.db2.gz IRNLECOVHAIXKO-NVXWUHKLSA-N 1 3 309.498 2.393 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cccc(F)c1)N(C)C ZINC001401114259 1161876243 /nfs/dbraw/zinc/87/62/43/1161876243.db2.gz FORGMQVQHIRBCP-CZUORRHYSA-N 1 3 309.429 2.008 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)CC[N@H+](C)CC1CC(F)(F)C1)N(C)C ZINC001401367071 1161954482 /nfs/dbraw/zinc/95/44/82/1161954482.db2.gz OOFSAQMMJZEOBA-AWEZNQCLSA-N 1 3 319.440 2.008 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)CC[N@@H+](C)CC1CC(F)(F)C1)N(C)C ZINC001401367071 1161954484 /nfs/dbraw/zinc/95/44/84/1161954484.db2.gz OOFSAQMMJZEOBA-AWEZNQCLSA-N 1 3 319.440 2.008 20 0 DEADHO Cc1ccc(CNC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)c(Cl)c1 ZINC001401670886 1162068902 /nfs/dbraw/zinc/06/89/02/1162068902.db2.gz RQBJNDWONAKNMT-HIFRSBDPSA-N 1 3 323.868 2.194 20 0 DEADHO Cc1ccc(CNC[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)c(Cl)c1 ZINC001401670886 1162068909 /nfs/dbraw/zinc/06/89/09/1162068909.db2.gz RQBJNDWONAKNMT-HIFRSBDPSA-N 1 3 323.868 2.194 20 0 DEADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCN2CCCC2CCCC2)C1 ZINC001401930242 1162185932 /nfs/dbraw/zinc/18/59/32/1162185932.db2.gz QYUVDUSAQIKWCD-MSOLQXFVSA-N 1 3 321.509 2.489 20 0 DEADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CCN2CCCC2CCCC2)C1 ZINC001401930242 1162185937 /nfs/dbraw/zinc/18/59/37/1162185937.db2.gz QYUVDUSAQIKWCD-MSOLQXFVSA-N 1 3 321.509 2.489 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1CCC[N@H+](CCC(C)C)C1 ZINC001402084928 1162240989 /nfs/dbraw/zinc/24/09/89/1162240989.db2.gz VVXRKRVLQMORSQ-HZPDHXFCSA-N 1 3 315.477 2.293 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1CCC[N@@H+](CCC(C)C)C1 ZINC001402084928 1162240991 /nfs/dbraw/zinc/24/09/91/1162240991.db2.gz VVXRKRVLQMORSQ-HZPDHXFCSA-N 1 3 315.477 2.293 20 0 DEADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCN(Cc3ccsc3)C2)C1 ZINC001404102555 1163442661 /nfs/dbraw/zinc/44/26/61/1163442661.db2.gz OJNODXFYONRKHP-LSDHHAIUSA-N 1 3 321.490 2.028 20 0 DEADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CCN(Cc3ccsc3)C2)C1 ZINC001404102555 1163442674 /nfs/dbraw/zinc/44/26/74/1163442674.db2.gz OJNODXFYONRKHP-LSDHHAIUSA-N 1 3 321.490 2.028 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001404512779 1163690471 /nfs/dbraw/zinc/69/04/71/1163690471.db2.gz SNYZTUILYQVBDC-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[N@H+]1CC[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001404512779 1163690477 /nfs/dbraw/zinc/69/04/77/1163690477.db2.gz SNYZTUILYQVBDC-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CN1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)C/C=C\Cl)C1 ZINC001404575432 1163717039 /nfs/dbraw/zinc/71/70/39/1163717039.db2.gz JDBCFRUABXVWBS-PYMSSDGJSA-N 1 3 313.873 2.004 20 0 DEADHO CN1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)C/C=C\Cl)C1 ZINC001404575432 1163717045 /nfs/dbraw/zinc/71/70/45/1163717045.db2.gz JDBCFRUABXVWBS-PYMSSDGJSA-N 1 3 313.873 2.004 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001405513945 1164128617 /nfs/dbraw/zinc/12/86/17/1164128617.db2.gz HEWOYQXJBBCCQL-KBUPBQIOSA-N 1 3 301.450 2.092 20 0 DEADHO CC[C@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001405530445 1164137609 /nfs/dbraw/zinc/13/76/09/1164137609.db2.gz DKJHRJZPASSRIQ-YHUYYLMFSA-N 1 3 315.477 2.338 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001405732644 1164208913 /nfs/dbraw/zinc/20/89/13/1164208913.db2.gz NQKDGEQQWUEDMZ-HOCLYGCPSA-N 1 3 309.498 2.249 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1csc(C)c1)N(C)C ZINC001405734282 1164209823 /nfs/dbraw/zinc/20/98/23/1164209823.db2.gz ORKRAPHGKFNJDA-SWLSCSKDSA-N 1 3 311.495 2.239 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2(NCCF)CCCC2)C1 ZINC001405776359 1164234135 /nfs/dbraw/zinc/23/41/35/1164234135.db2.gz WVWRHQWAGXFGPT-LSDHHAIUSA-N 1 3 313.461 2.095 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001405841106 1164284178 /nfs/dbraw/zinc/28/41/78/1164284178.db2.gz ZJDAKMXJDFEZEO-MRXNPFEDSA-N 1 3 317.477 2.416 20 0 DEADHO C[C@H](C[NH2+]CC1CCCCCC1)N(C)C(=O)CN1CCCC1 ZINC001405879476 1164307345 /nfs/dbraw/zinc/30/73/45/1164307345.db2.gz AKUYELQZSFUFGZ-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CN2CCCC2)c(C)c1 ZINC001405890694 1164315604 /nfs/dbraw/zinc/31/56/04/1164315604.db2.gz MBMSXXFVAOJQCW-QGZVFWFLSA-N 1 3 317.477 2.336 20 0 DEADHO C[C@@H](CNCc1cncs1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001406481088 1164632455 /nfs/dbraw/zinc/63/24/55/1164632455.db2.gz KUGRTTBLBWZGBA-ZDUSSCGKSA-N 1 3 324.494 2.002 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CC1CC(C)(C)C1)N(C)C ZINC001406604104 1164724211 /nfs/dbraw/zinc/72/42/11/1164724211.db2.gz NGGSNPAYECBPDE-HOCLYGCPSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CC1CC(C)(C)C1)N(C)C ZINC001406604104 1164724217 /nfs/dbraw/zinc/72/42/17/1164724217.db2.gz NGGSNPAYECBPDE-HOCLYGCPSA-N 1 3 311.514 2.445 20 0 DEADHO C[C@H](CN(C)[C@@H]1CCc2c1cccc2F)NC(=O)CC[NH+](C)C ZINC001406653878 1164766408 /nfs/dbraw/zinc/76/64/08/1164766408.db2.gz MBJQFYQRDYMLCT-CXAGYDPISA-N 1 3 321.440 2.201 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN(C)Cc1ccc(F)cc1C ZINC001406683795 1164789143 /nfs/dbraw/zinc/78/91/43/1164789143.db2.gz BQZSYMPFXWAIHE-HNNXBMFYSA-N 1 3 323.456 2.412 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN(C)Cc1ccc(F)cc1C ZINC001406683795 1164789152 /nfs/dbraw/zinc/78/91/52/1164789152.db2.gz BQZSYMPFXWAIHE-HNNXBMFYSA-N 1 3 323.456 2.412 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccccc1)C1CC1)N(C)C ZINC001406776764 1164825655 /nfs/dbraw/zinc/82/56/55/1164825655.db2.gz MLRPVBVNXVSUMW-MSOLQXFVSA-N 1 3 317.477 2.257 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]CC1CCCC1)C1CC1)N(C)C ZINC001406777825 1164826463 /nfs/dbraw/zinc/82/64/63/1164826463.db2.gz NLJPXEILKBFCBW-IRXDYDNUSA-N 1 3 309.498 2.247 20 0 DEADHO C[N@@H+]1CC[C@@H](CC(=O)NCC2(NCc3ccsc3)CCC2)C1 ZINC001407830234 1165333801 /nfs/dbraw/zinc/33/38/01/1165333801.db2.gz NJQMQBLODZIREN-AWEZNQCLSA-N 1 3 321.490 2.218 20 0 DEADHO C[N@H+]1CC[C@@H](CC(=O)NCC2(NCc3ccsc3)CCC2)C1 ZINC001407830234 1165333815 /nfs/dbraw/zinc/33/38/15/1165333815.db2.gz NJQMQBLODZIREN-AWEZNQCLSA-N 1 3 321.490 2.218 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1([NH2+]CC2CCCC2)CCC1)N(C)C ZINC001407832276 1165335104 /nfs/dbraw/zinc/33/51/04/1165335104.db2.gz YXWPEBUOWPQUGI-INIZCTEOSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CCCF)CC1(C)C)N(C)C ZINC001408148319 1165498478 /nfs/dbraw/zinc/49/84/78/1165498478.db2.gz YUJMZQHSLKTHBX-CABCVRRESA-N 1 3 315.477 2.149 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCCF)CC1(C)C)N(C)C ZINC001408148319 1165498479 /nfs/dbraw/zinc/49/84/79/1165498479.db2.gz YUJMZQHSLKTHBX-CABCVRRESA-N 1 3 315.477 2.149 20 0 DEADHO C[C@H](F)CC[N@H+](C)C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001408353359 1165609260 /nfs/dbraw/zinc/60/92/60/1165609260.db2.gz VOYSTOIPCXXNDJ-LSDHHAIUSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@H](F)CC[N@@H+](C)C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001408353359 1165609265 /nfs/dbraw/zinc/60/92/65/1165609265.db2.gz VOYSTOIPCXXNDJ-LSDHHAIUSA-N 1 3 313.461 2.142 20 0 DEADHO CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001408359407 1165613100 /nfs/dbraw/zinc/61/31/00/1165613100.db2.gz YRIXJRFOQLFLTG-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001408359407 1165613104 /nfs/dbraw/zinc/61/31/04/1165613104.db2.gz YRIXJRFOQLFLTG-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CC[C@@H](O)CN1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001414070818 1165702947 /nfs/dbraw/zinc/70/29/47/1165702947.db2.gz XMCJQVKVJURPSV-QGZVFWFLSA-N 1 3 312.498 2.096 20 0 DEADHO CC(C)CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001417754541 1167188634 /nfs/dbraw/zinc/18/86/34/1167188634.db2.gz HJMHHCIHGWGKFQ-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CCC[N@H+]1CC[C@@H]1CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001417754541 1167188639 /nfs/dbraw/zinc/18/86/39/1167188639.db2.gz HJMHHCIHGWGKFQ-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCN(C2CC2)C1 ZINC001417883744 1167281348 /nfs/dbraw/zinc/28/13/48/1167281348.db2.gz MFKYPJRMIKISLJ-UXLLHSPISA-N 1 3 307.482 2.050 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC12CC[NH+](C[C@H](C)CC)CC2 ZINC001417960218 1167328051 /nfs/dbraw/zinc/32/80/51/1167328051.db2.gz ZYZHLZRYLFDGGX-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001418357072 1167594406 /nfs/dbraw/zinc/59/44/06/1167594406.db2.gz JVAGHWVZNJSRLK-WNFXYAGKSA-N 1 3 301.862 2.096 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001418442384 1167659099 /nfs/dbraw/zinc/65/90/99/1167659099.db2.gz OCPVCCXEQCEIRQ-OAHLLOKOSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1)N(C)C ZINC001418667477 1167873766 /nfs/dbraw/zinc/87/37/66/1167873766.db2.gz AGLHHMRGPSJFJH-NVXWUHKLSA-N 1 3 323.525 2.447 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1)N(C)C ZINC001418667477 1167873767 /nfs/dbraw/zinc/87/37/67/1167873767.db2.gz AGLHHMRGPSJFJH-NVXWUHKLSA-N 1 3 323.525 2.447 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001418839198 1168000420 /nfs/dbraw/zinc/00/04/20/1168000420.db2.gz JFHAVTKGMWREDD-AWEZNQCLSA-N 1 3 309.429 2.277 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([C@H](C)[NH2+]C/C=C\Cl)CC1 ZINC001418841010 1168002109 /nfs/dbraw/zinc/00/21/09/1168002109.db2.gz CXPBTQSUTDHRKZ-PODYEWJSSA-N 1 3 315.889 2.296 20 0 DEADHO Cc1ccc(CN2CC[C@@H](N(C)C(=O)CC[NH+](C)C)C2)cc1C ZINC001419125271 1168230119 /nfs/dbraw/zinc/23/01/19/1168230119.db2.gz PYDCZTNNBHQHTJ-GOSISDBHSA-N 1 3 317.477 2.288 20 0 DEADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001419419367 1168460551 /nfs/dbraw/zinc/46/05/51/1168460551.db2.gz PKPWTFKTKOSXLM-HDJSIYSDSA-N 1 3 309.841 2.029 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2CCC[N@H+](CC3CCCC3)C2)CCC1 ZINC001419560645 1168597823 /nfs/dbraw/zinc/59/78/23/1168597823.db2.gz RSZCVNRRUDVKHP-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2CCC[N@@H+](CC3CCCC3)C2)CCC1 ZINC001419560645 1168597834 /nfs/dbraw/zinc/59/78/34/1168597834.db2.gz RSZCVNRRUDVKHP-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CCCN(C/C=C/Cl)C1 ZINC001419629365 1168709246 /nfs/dbraw/zinc/70/92/46/1168709246.db2.gz CYPXVVOIMIYIBV-AOEIMKSNSA-N 1 3 315.889 2.297 20 0 DEADHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001419732682 1168825054 /nfs/dbraw/zinc/82/50/54/1168825054.db2.gz GYXIPBZXCKZNQU-WMLDXEAASA-N 1 3 323.456 2.411 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001419756700 1168834249 /nfs/dbraw/zinc/83/42/49/1168834249.db2.gz NBOFZPXPBIFKSE-RHSMWYFYSA-N 1 3 321.440 2.294 20 0 DEADHO CCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)N1CCCC1 ZINC001420501539 1169671409 /nfs/dbraw/zinc/67/14/09/1169671409.db2.gz BYXAPVPNXAVIFF-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)N1CCCC1 ZINC001420501539 1169671424 /nfs/dbraw/zinc/67/14/24/1169671424.db2.gz BYXAPVPNXAVIFF-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1)N(C)C ZINC001420546367 1169762983 /nfs/dbraw/zinc/76/29/83/1169762983.db2.gz OIXJGFLCZJPHNM-MSOLQXFVSA-N 1 3 317.477 2.273 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1)N(C)C ZINC001420546367 1169762999 /nfs/dbraw/zinc/76/29/99/1169762999.db2.gz OIXJGFLCZJPHNM-MSOLQXFVSA-N 1 3 317.477 2.273 20 0 DEADHO CC(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001420759498 1171118461 /nfs/dbraw/zinc/11/84/61/1171118461.db2.gz PQRBYVWWTBKLQK-RDJZCZTQSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)C[C@@H](C)CN1CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001420874137 1171308954 /nfs/dbraw/zinc/30/89/54/1171308954.db2.gz SISSXIXBFQBKOK-IAGOWNOFSA-N 1 3 321.509 2.488 20 0 DEADHO CCCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCCN2CC)C1 ZINC001420882651 1171316792 /nfs/dbraw/zinc/31/67/92/1171316792.db2.gz AVUSUCMRRUICGN-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO CCCC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCCN2CC)C1 ZINC001420882651 1171316798 /nfs/dbraw/zinc/31/67/98/1171316798.db2.gz AVUSUCMRRUICGN-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CC[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001420886708 1171320601 /nfs/dbraw/zinc/32/06/01/1171320601.db2.gz JJEBRMSKUGFJHR-HIFRSBDPSA-N 1 3 306.454 2.135 20 0 DEADHO CC[C@@H](C)C[N@H+]1CC[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001420886708 1171320608 /nfs/dbraw/zinc/32/06/08/1171320608.db2.gz JJEBRMSKUGFJHR-HIFRSBDPSA-N 1 3 306.454 2.135 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CCC(CN(C)C/C=C\Cl)CC1 ZINC001420965826 1171385034 /nfs/dbraw/zinc/38/50/34/1171385034.db2.gz ZSYLQJBWPRTNIV-UITAMQMPSA-N 1 3 315.889 2.251 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CCC(CN(C)C/C=C\Cl)CC1 ZINC001420965826 1171385040 /nfs/dbraw/zinc/38/50/40/1171385040.db2.gz ZSYLQJBWPRTNIV-UITAMQMPSA-N 1 3 315.889 2.251 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(C)c(F)c2)CC1)N(C)C ZINC001420996569 1171413872 /nfs/dbraw/zinc/41/38/72/1171413872.db2.gz WILJZEVNBLPWBM-INIZCTEOSA-N 1 3 321.440 2.213 20 0 DEADHO CC[NH2+][C@@H](CNC(=O)CN1CC[C@H](C)C1)c1ccccc1CC ZINC001421523401 1171833216 /nfs/dbraw/zinc/83/32/16/1171833216.db2.gz IGLKAWRPFKHMNI-YJBOKZPZSA-N 1 3 317.477 2.358 20 0 DEADHO CC(C)N(C)CC(=O)NC1(C[NH2+]Cc2ccns2)CCCC1 ZINC001421532842 1171836908 /nfs/dbraw/zinc/83/69/08/1171836908.db2.gz WAFMTEWYDCDSMR-UHFFFAOYSA-N 1 3 324.494 2.002 20 0 DEADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCC1(NC/C=C\Cl)CCC1 ZINC001421756330 1171966407 /nfs/dbraw/zinc/96/64/07/1171966407.db2.gz UPUCWSXEQSNDED-IUZNHRGFSA-N 1 3 313.873 2.242 20 0 DEADHO C[N@H+]1CCC[C@H]1CCC(=O)NCC1(NC/C=C\Cl)CCC1 ZINC001421756330 1171966413 /nfs/dbraw/zinc/96/64/13/1171966413.db2.gz UPUCWSXEQSNDED-IUZNHRGFSA-N 1 3 313.873 2.242 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1([NH2+]CC2CC(C)C2)CCC1)N(C)C ZINC001421777584 1171990632 /nfs/dbraw/zinc/99/06/32/1171990632.db2.gz ITTLUROOPNNPDQ-GPANFISMSA-N 1 3 309.498 2.247 20 0 DEADHO Cc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)CN2CC[C@@H](C)C2)c1 ZINC001421935524 1172150391 /nfs/dbraw/zinc/15/03/91/1172150391.db2.gz BMYYWOSBDJANBG-SJORKVTESA-N 1 3 317.477 2.273 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001422316943 1172484851 /nfs/dbraw/zinc/48/48/51/1172484851.db2.gz DOEURLDWOCIKEF-JKSUJKDBSA-N 1 3 317.477 2.462 20 0 DEADHO C[C@H](NCCF)[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001422353272 1172510763 /nfs/dbraw/zinc/51/07/63/1172510763.db2.gz KOMBJHXPZXUZLI-KBPBESRZSA-N 1 3 301.450 2.093 20 0 DEADHO C[C@H](NCCF)[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001422353272 1172510771 /nfs/dbraw/zinc/51/07/71/1172510771.db2.gz KOMBJHXPZXUZLI-KBPBESRZSA-N 1 3 301.450 2.093 20 0 DEADHO Cc1cccc(C)c1C[NH2+]C[C@H](C)NC(=O)CN(C)C(C)C ZINC001422761207 1172846228 /nfs/dbraw/zinc/84/62/28/1172846228.db2.gz PGVQUAAOLWETIK-INIZCTEOSA-N 1 3 305.466 2.238 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001423349968 1173280557 /nfs/dbraw/zinc/28/05/57/1173280557.db2.gz IXSZCXFRFWRITA-GOSISDBHSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001423349968 1173280575 /nfs/dbraw/zinc/28/05/75/1173280575.db2.gz IXSZCXFRFWRITA-GOSISDBHSA-N 1 3 309.498 2.297 20 0 DEADHO CCC[N@H+](C)CCC(=O)N(C)C1CN(CC2CCCCC2)C1 ZINC001423431642 1173347000 /nfs/dbraw/zinc/34/70/00/1173347000.db2.gz DFBNJPBTIBYTEL-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N(C)C1CN(CC2CCCCC2)C1 ZINC001423431642 1173347012 /nfs/dbraw/zinc/34/70/12/1173347012.db2.gz DFBNJPBTIBYTEL-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC2CCC2)C1 ZINC001423647325 1173465073 /nfs/dbraw/zinc/46/50/73/1173465073.db2.gz GCBSRGSMQJBMMZ-PKOBYXMFSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC001423947559 1173586566 /nfs/dbraw/zinc/58/65/66/1173586566.db2.gz KCQFBKZAZWWAFN-AEFFLSMTSA-N 1 3 317.477 2.213 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC(C)([NH2+]C/C=C/Cl)CC2)C1 ZINC001424489753 1173808546 /nfs/dbraw/zinc/80/85/46/1173808546.db2.gz HZQZSEQMYWAWBC-RRFAQUSLSA-N 1 3 313.873 2.051 20 0 DEADHO CC[C@@H](F)CN1CCCCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001425188099 1174217344 /nfs/dbraw/zinc/21/73/44/1174217344.db2.gz AIEZYKVNAZBZSQ-CVEARBPZSA-N 1 3 315.477 2.437 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)C1C[NH+](CCC2CCCC2)C1 ZINC001425233108 1174250089 /nfs/dbraw/zinc/25/00/89/1174250089.db2.gz SLMLNTHTKLISDK-OAHLLOKOSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](C)C[NH+]1CC([C@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001425242924 1174256708 /nfs/dbraw/zinc/25/67/08/1174256708.db2.gz RNKJDVUCBUOSCD-GJZGRUSLSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@@H]2[C@H]3C[N@@H+](CCC(C)(C)C)C[C@H]32)C1 ZINC001425367331 1174296199 /nfs/dbraw/zinc/29/61/99/1174296199.db2.gz VYLDFCMWKNURID-LUKYLMHMSA-N 1 3 321.509 2.058 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@@H]2[C@H]3C[N@H+](CCC(C)(C)C)C[C@H]32)C1 ZINC001425367331 1174296210 /nfs/dbraw/zinc/29/62/10/1174296210.db2.gz VYLDFCMWKNURID-LUKYLMHMSA-N 1 3 321.509 2.058 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1CC1)C(C)(C)C ZINC001426133751 1174610209 /nfs/dbraw/zinc/61/02/09/1174610209.db2.gz GLCFXWACCNRXFJ-CVEARBPZSA-N 1 3 309.498 2.390 20 0 DEADHO CN(C)C[C@H]1CC[N@H+](Cc2cc3ccc(F)cc3[nH]c2=O)C1 ZINC001434526359 1178770935 /nfs/dbraw/zinc/77/09/35/1178770935.db2.gz WSDUOMUQNUBCGR-GFCCVEGCSA-N 1 3 303.381 2.463 20 0 DEADHO CN(C)C[C@H]1CC[N@@H+](Cc2cc3ccc(F)cc3[nH]c2=O)C1 ZINC001434526359 1178770949 /nfs/dbraw/zinc/77/09/49/1178770949.db2.gz WSDUOMUQNUBCGR-GFCCVEGCSA-N 1 3 303.381 2.463 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]C/C=C/Cl)C1)N(C)C ZINC001436421100 1179090312 /nfs/dbraw/zinc/09/03/12/1179090312.db2.gz JJVHCQCFLRQREU-ITOJETEVSA-N 1 3 315.889 2.200 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C1)N(C)C ZINC001436975299 1179326022 /nfs/dbraw/zinc/32/60/22/1179326022.db2.gz JUIJNEDJVSDSFT-VDNDLQMASA-N 1 3 321.440 2.464 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC001437025396 1179355858 /nfs/dbraw/zinc/35/58/58/1179355858.db2.gz WROFXUIZGCQMMK-HNNXBMFYSA-N 1 3 323.506 2.418 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001437059476 1179380467 /nfs/dbraw/zinc/38/04/67/1179380467.db2.gz AELFCWABZJHGEP-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001437059476 1179380471 /nfs/dbraw/zinc/38/04/71/1179380471.db2.gz AELFCWABZJHGEP-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001437253465 1179662205 /nfs/dbraw/zinc/66/22/05/1179662205.db2.gz YQWACOSJDUYONB-SUMWQHHRSA-N 1 3 321.440 2.249 20 0 DEADHO Cc1ccc(C)c(CN(C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001437556756 1179845767 /nfs/dbraw/zinc/84/57/67/1179845767.db2.gz PRAZNTDAVNADGK-GOSISDBHSA-N 1 3 319.493 2.438 20 0 DEADHO CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccccc1C1CC1 ZINC001437559186 1179846191 /nfs/dbraw/zinc/84/61/91/1179846191.db2.gz IQWLNZKHKXUSHH-KRWDZBQOSA-N 1 3 315.461 2.064 20 0 DEADHO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccccc1C1CC1 ZINC001437559186 1179846193 /nfs/dbraw/zinc/84/61/93/1179846193.db2.gz IQWLNZKHKXUSHH-KRWDZBQOSA-N 1 3 315.461 2.064 20 0 DEADHO C[C@@H](F)CC[N@H+](C)CCNC(=O)c1cccc(CN(C)C)c1 ZINC001437563077 1179847016 /nfs/dbraw/zinc/84/70/16/1179847016.db2.gz HGUVPBDBGKOSHZ-CQSZACIVSA-N 1 3 309.429 2.158 20 0 DEADHO C[C@@H](F)CC[N@@H+](C)CCNC(=O)c1cccc(CN(C)C)c1 ZINC001437563077 1179847019 /nfs/dbraw/zinc/84/70/19/1179847019.db2.gz HGUVPBDBGKOSHZ-CQSZACIVSA-N 1 3 309.429 2.158 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](CC)CC1CC(C)C1 ZINC001437654380 1179878690 /nfs/dbraw/zinc/87/86/90/1179878690.db2.gz YPNGHFANPYHPQB-OFLPRAFFSA-N 1 3 309.498 2.345 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](CC)CC1CC(C)C1 ZINC001437654380 1179878692 /nfs/dbraw/zinc/87/86/92/1179878692.db2.gz YPNGHFANPYHPQB-OFLPRAFFSA-N 1 3 309.498 2.345 20 0 DEADHO CCC(CC)C[N@@H+]1CC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001437729407 1179913155 /nfs/dbraw/zinc/91/31/55/1179913155.db2.gz STNXJFKKLSZLMW-DOTOQJQBSA-N 1 3 309.498 2.203 20 0 DEADHO CCC(CC)C[N@H+]1CC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001437729407 1179913172 /nfs/dbraw/zinc/91/31/72/1179913172.db2.gz STNXJFKKLSZLMW-DOTOQJQBSA-N 1 3 309.498 2.203 20 0 DEADHO CN(CCF)C[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001437983029 1180129094 /nfs/dbraw/zinc/12/90/94/1180129094.db2.gz CTGJEWRAZQHAAJ-INIZCTEOSA-N 1 3 313.461 2.002 20 0 DEADHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1cccc(C)c1 ZINC001438324021 1180345309 /nfs/dbraw/zinc/34/53/09/1180345309.db2.gz CGIVUIHQGAYOOI-SJLPKXTDSA-N 1 3 317.477 2.321 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]C/C=C/Cl)C1 ZINC001438761564 1180806738 /nfs/dbraw/zinc/80/67/38/1180806738.db2.gz BVLRYCMLKMWUIS-VKGGURKZSA-N 1 3 315.889 2.296 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001439110134 1180886614 /nfs/dbraw/zinc/88/66/14/1180886614.db2.gz KNQYUEXPZWEBBW-SJLPKXTDSA-N 1 3 317.477 2.462 20 0 DEADHO C[C@H](C[N@H+](C)CC1CC2(CCC2)C1)NC(=O)CN1CC[C@@H](C)C1 ZINC001439364036 1181044788 /nfs/dbraw/zinc/04/47/88/1181044788.db2.gz GNZHZMAPILVPGM-HZPDHXFCSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H](C[N@@H+](C)CC1CC2(CCC2)C1)NC(=O)CN1CC[C@@H](C)C1 ZINC001439364036 1181044798 /nfs/dbraw/zinc/04/47/98/1181044798.db2.gz GNZHZMAPILVPGM-HZPDHXFCSA-N 1 3 321.509 2.345 20 0 DEADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCN2CCC2CCCCC2)C1 ZINC001439566043 1181146969 /nfs/dbraw/zinc/14/69/69/1181146969.db2.gz AFEJEVSRKSFWHD-QZTJIDSGSA-N 1 3 321.509 2.489 20 0 DEADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CCN2CCC2CCCCC2)C1 ZINC001439566043 1181146977 /nfs/dbraw/zinc/14/69/77/1181146977.db2.gz AFEJEVSRKSFWHD-QZTJIDSGSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)N(C)CC(=O)NCC1(C)CC[NH+](CC[C@H](C)F)CC1 ZINC001439915116 1181304401 /nfs/dbraw/zinc/30/44/01/1181304401.db2.gz DJMVHLHHRWQPCH-HNNXBMFYSA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@@H](F)CNC1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCC1 ZINC001440314917 1181444041 /nfs/dbraw/zinc/44/40/41/1181444041.db2.gz NCDPXLJUUIVWEG-HUUCEWRRSA-N 1 3 313.461 2.237 20 0 DEADHO CC[C@@H](F)CNC1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CCC1 ZINC001440314917 1181444045 /nfs/dbraw/zinc/44/40/45/1181444045.db2.gz NCDPXLJUUIVWEG-HUUCEWRRSA-N 1 3 313.461 2.237 20 0 DEADHO CC[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001440350344 1181460446 /nfs/dbraw/zinc/46/04/46/1181460446.db2.gz QKASINZNBKTWGY-BZUAXINKSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC2)C1 ZINC001440362916 1181465604 /nfs/dbraw/zinc/46/56/04/1181465604.db2.gz PHYHUHUMMXVKRV-ZHZCFWQKSA-N 1 3 307.482 2.144 20 0 DEADHO CCC1([NH2+]CC2CC2)CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001440533370 1181584118 /nfs/dbraw/zinc/58/41/18/1181584118.db2.gz WONSZOLFISVSLA-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@@H](C(=O)NCc1ccc2c(c1)C[N@@H+](CC1CC1)C2)N(C)C ZINC001440579408 1181601349 /nfs/dbraw/zinc/60/13/49/1181601349.db2.gz NFNCXGIVSVTIHX-SFHVURJKSA-N 1 3 315.461 2.369 20 0 DEADHO CC[C@@H](C(=O)NCc1ccc2c(c1)C[N@H+](CC1CC1)C2)N(C)C ZINC001440579408 1181601356 /nfs/dbraw/zinc/60/13/56/1181601356.db2.gz NFNCXGIVSVTIHX-SFHVURJKSA-N 1 3 315.461 2.369 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccsc1)C1CC1)N(C)C ZINC001441194715 1181890727 /nfs/dbraw/zinc/89/07/27/1181890727.db2.gz ANINBFZVAVPXKA-CVEARBPZSA-N 1 3 323.506 2.319 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]([NH2+]CC2CC(C)(C)C2)C2CC2)C1 ZINC001441233613 1181906901 /nfs/dbraw/zinc/90/69/01/1181906901.db2.gz ZVUWMCPNPFYVEH-YOEHRIQHSA-N 1 3 321.509 2.249 20 0 DEADHO CC(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001441293208 1181932757 /nfs/dbraw/zinc/93/27/57/1181932757.db2.gz CXRRHUVLLUSMIQ-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001441293208 1181932762 /nfs/dbraw/zinc/93/27/62/1181932762.db2.gz CXRRHUVLLUSMIQ-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](F)CN(C)C[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001441304072 1181939116 /nfs/dbraw/zinc/93/91/16/1181939116.db2.gz SJBHVEZRWZYJFB-JKSUJKDBSA-N 1 3 315.477 2.247 20 0 DEADHO CC[C@@H](F)CN(C)C[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001441304072 1181939121 /nfs/dbraw/zinc/93/91/21/1181939121.db2.gz SJBHVEZRWZYJFB-JKSUJKDBSA-N 1 3 315.477 2.247 20 0 DEADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1ccsc1 ZINC001441506243 1182030476 /nfs/dbraw/zinc/03/04/76/1182030476.db2.gz DHENEGGNIPOOKO-GZBFAFLISA-N 1 3 309.479 2.025 20 0 DEADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1ccsc1 ZINC001441506243 1182030480 /nfs/dbraw/zinc/03/04/80/1182030480.db2.gz DHENEGGNIPOOKO-GZBFAFLISA-N 1 3 309.479 2.025 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001441520761 1182038338 /nfs/dbraw/zinc/03/83/38/1182038338.db2.gz GALPIGGYUVMUDT-LVQVYYBASA-N 1 3 313.461 2.234 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001441601436 1182084534 /nfs/dbraw/zinc/08/45/34/1182084534.db2.gz YHEMWMBYVSRINR-DLBZAZTESA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001441601436 1182084536 /nfs/dbraw/zinc/08/45/36/1182084536.db2.gz YHEMWMBYVSRINR-DLBZAZTESA-N 1 3 309.498 2.203 20 0 DEADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCc1cccc(F)c1 ZINC001441855728 1182218445 /nfs/dbraw/zinc/21/84/45/1182218445.db2.gz FVRFQPFRZBOFSG-YOEHRIQHSA-N 1 3 321.440 2.294 20 0 DEADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCc1cccc(F)c1 ZINC001441855728 1182218451 /nfs/dbraw/zinc/21/84/51/1182218451.db2.gz FVRFQPFRZBOFSG-YOEHRIQHSA-N 1 3 321.440 2.294 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+]Cc1c(C)cccc1C ZINC001442008749 1182284745 /nfs/dbraw/zinc/28/47/45/1182284745.db2.gz FTOBURSLNAFWLF-INIZCTEOSA-N 1 3 305.466 2.240 20 0 DEADHO C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H](NC/C(Cl)=C/Cl)C1 ZINC001442181144 1182356151 /nfs/dbraw/zinc/35/61/51/1182356151.db2.gz CCWKEMMAMHKROA-POVPLDHISA-N 1 3 322.280 2.274 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCCN1Cc1ccc(C)cc1 ZINC001442809753 1182721661 /nfs/dbraw/zinc/72/16/61/1182721661.db2.gz AYDXHQIPWNJUTR-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCCN1Cc1ccc(C)cc1 ZINC001442809753 1182721664 /nfs/dbraw/zinc/72/16/64/1182721664.db2.gz AYDXHQIPWNJUTR-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCN1C)c1ccc(F)cc1 ZINC001443103523 1182848365 /nfs/dbraw/zinc/84/83/65/1182848365.db2.gz NVGHYNFEECFOSQ-SJORKVTESA-N 1 3 321.440 2.419 20 0 DEADHO CC(C)C[C@@H](C)C[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001443336092 1182938386 /nfs/dbraw/zinc/93/83/86/1182938386.db2.gz PUTUIYWOMJFPOM-CVEARBPZSA-N 1 3 320.481 2.415 20 0 DEADHO CC(C)C[C@@H](C)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001443336092 1182938391 /nfs/dbraw/zinc/93/83/91/1182938391.db2.gz PUTUIYWOMJFPOM-CVEARBPZSA-N 1 3 320.481 2.415 20 0 DEADHO C[C@H](C(=O)NCC1C[NH+](CC2CCCC2)C1)N1CCCCCC1 ZINC001443626306 1183059813 /nfs/dbraw/zinc/05/98/13/1183059813.db2.gz YNPJRURUIYPYKT-MRXNPFEDSA-N 1 3 321.509 2.489 20 0 DEADHO Cc1cccc(C)c1CN1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001443690435 1183083757 /nfs/dbraw/zinc/08/37/57/1183083757.db2.gz RWAQTXAKLBGJQD-IRXDYDNUSA-N 1 3 315.461 2.040 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CC)NCc1cncs1 ZINC001443939046 1183213079 /nfs/dbraw/zinc/21/30/79/1183213079.db2.gz YNUHFHVZRLPJIJ-DZGCQCFKSA-N 1 3 324.494 2.002 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CC)NCc1cncs1 ZINC001443939046 1183213083 /nfs/dbraw/zinc/21/30/83/1183213083.db2.gz YNUHFHVZRLPJIJ-DZGCQCFKSA-N 1 3 324.494 2.002 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CC)NCc1cncs1 ZINC001443939057 1183213222 /nfs/dbraw/zinc/21/32/22/1183213222.db2.gz YNUHFHVZRLPJIJ-UKRRQHHQSA-N 1 3 324.494 2.002 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CC)NCc1cncs1 ZINC001443939057 1183213225 /nfs/dbraw/zinc/21/32/25/1183213225.db2.gz YNUHFHVZRLPJIJ-UKRRQHHQSA-N 1 3 324.494 2.002 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]C/C=C\Cl ZINC001444810028 1183564276 /nfs/dbraw/zinc/56/42/76/1183564276.db2.gz VGIOHFZSZAQKSR-RFGQWYDFSA-N 1 3 313.873 2.050 20 0 DEADHO C[C@H](C[NH2+][C@@H](C)c1ccccc1F)NC(=O)C1(N(C)C)CCC1 ZINC001445387645 1183858060 /nfs/dbraw/zinc/85/80/60/1183858060.db2.gz GJLYOMLRYPFZAM-KGLIPLIRSA-N 1 3 321.440 2.465 20 0 DEADHO C[C@@H](NC[C@H](C)NC(=O)CCC[NH+](C)C)c1ccccc1F ZINC001445612401 1183936727 /nfs/dbraw/zinc/93/67/27/1183936727.db2.gz ZKOTYSLZVNYZGB-UONOGXRCSA-N 1 3 309.429 2.323 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CC1CCCC1 ZINC001445714220 1184009017 /nfs/dbraw/zinc/00/90/17/1184009017.db2.gz BRMFPHOBYPIICJ-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)CC1CCCC1 ZINC001445714220 1184009024 /nfs/dbraw/zinc/00/90/24/1184009024.db2.gz BRMFPHOBYPIICJ-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO C[NH+]1CCC(C(=O)NC[C@H]2CCN2CCCC(C)(C)C)CC1 ZINC001446082589 1184219046 /nfs/dbraw/zinc/21/90/46/1184219046.db2.gz DQBUNKXNBRAOTG-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]C/C=C\c2ccccc2)CC1)N(C)C ZINC001446252486 1184285074 /nfs/dbraw/zinc/28/50/74/1184285074.db2.gz LNLFWQOITARWIG-NLZINVLXSA-N 1 3 315.461 2.278 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001446442078 1184350397 /nfs/dbraw/zinc/35/03/97/1184350397.db2.gz WTNHAWGYZNDSJY-CVEARBPZSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](C)C[NH+]1CCC(C)(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001446470097 1184362731 /nfs/dbraw/zinc/36/27/31/1184362731.db2.gz OPSFKZXDKPOQEZ-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]([NH2+]CC1CC1)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001446943308 1184585785 /nfs/dbraw/zinc/58/57/85/1184585785.db2.gz SAVTUNPTUXUPBF-GDBMZVCRSA-N 1 3 309.498 2.201 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@@H]1c2ccccc2CCN1CC1CC1 ZINC001447701692 1184845932 /nfs/dbraw/zinc/84/59/32/1184845932.db2.gz FPLKMZVCCYNJLI-GOSISDBHSA-N 1 3 315.461 2.064 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[N@H+](C)CC1CCC1 ZINC001448012741 1185022609 /nfs/dbraw/zinc/02/26/09/1185022609.db2.gz DJCMUMIEQDRKDP-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[N@@H+](C)CC1CCC1 ZINC001448012741 1185022620 /nfs/dbraw/zinc/02/26/20/1185022620.db2.gz DJCMUMIEQDRKDP-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CCC[NH+]1CC([C@@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001448307498 1185156235 /nfs/dbraw/zinc/15/62/35/1185156235.db2.gz QPIPXKQVNCPPRS-OAHLLOKOSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)NC/C=C\Cl ZINC001448677455 1185358822 /nfs/dbraw/zinc/35/88/22/1185358822.db2.gz IYKXZFOGLLTDTG-PTENIASDSA-N 1 3 301.862 2.050 20 0 DEADHO C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)NC/C=C\Cl ZINC001448677455 1185358830 /nfs/dbraw/zinc/35/88/30/1185358830.db2.gz IYKXZFOGLLTDTG-PTENIASDSA-N 1 3 301.862 2.050 20 0 DEADHO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1)c1ccccc1 ZINC001370480846 1149780694 /nfs/dbraw/zinc/78/06/94/1149780694.db2.gz CKPIQBPIEJDKOJ-DJIMGWMZSA-N 1 3 315.461 2.469 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](NCC=C(Cl)Cl)C1)[NH+](C)C ZINC001370548187 1149808699 /nfs/dbraw/zinc/80/86/99/1149808699.db2.gz MTDUZFOFWZSZJI-NQBHXWOUSA-N 1 3 322.280 2.128 20 0 DEADHO CC(C)(C(=O)N[C@H]1CC[C@H](C[NH2+]CCCF)C1)N1CCCC1 ZINC001332293613 1149845389 /nfs/dbraw/zinc/84/53/89/1149845389.db2.gz RHNQFDSSLHEIMB-GJZGRUSLSA-N 1 3 313.461 2.095 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(C)nnc2C)[C@H](C)C1 ZINC001332885392 1149915113 /nfs/dbraw/zinc/91/51/13/1149915113.db2.gz CMWOFOOPJDQFFA-KDOFPFPSSA-N 1 3 320.481 2.320 20 0 DEADHO CC(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001106282237 782614565 /nfs/dbraw/zinc/61/45/65/782614565.db2.gz ZRKQGUZFPNJJNV-ZACQAIPSSA-N 1 3 311.514 2.303 20 0 DEADHO Cc1ccc(C[NH2+]CCNC(=O)C(C)(C)N2CCCCC2)cc1 ZINC001127317921 782633986 /nfs/dbraw/zinc/63/39/86/782633986.db2.gz ZADHLUVIPZWSHU-UHFFFAOYSA-N 1 3 317.477 2.465 20 0 DEADHO CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)CC(C)(C)C1 ZINC001089458901 783125296 /nfs/dbraw/zinc/12/52/96/783125296.db2.gz PMIWGOROTXREKL-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)CC(C)(C)C1 ZINC001089458901 783125314 /nfs/dbraw/zinc/12/53/14/783125314.db2.gz PMIWGOROTXREKL-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CC[N@H+](CC3CC3)CC(C)(C)C2)C1 ZINC001089486735 783153083 /nfs/dbraw/zinc/15/30/83/783153083.db2.gz CGPRJCIPQHEZIX-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CC[N@@H+](CC3CC3)CC(C)(C)C2)C1 ZINC001089486735 783153089 /nfs/dbraw/zinc/15/30/89/783153089.db2.gz CGPRJCIPQHEZIX-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO CCC(CC)C[N@@H+]1CCC2(CN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001072991296 790360813 /nfs/dbraw/zinc/36/08/13/790360813.db2.gz RHNPMSFFNKVHAI-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CCC(CC)C[N@H+]1CCC2(CN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001072991296 790360824 /nfs/dbraw/zinc/36/08/24/790360824.db2.gz RHNPMSFFNKVHAI-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[N@H+](CCCC1CCC1)C2 ZINC001073016197 790386735 /nfs/dbraw/zinc/38/67/35/790386735.db2.gz NDCFDNKKLBXINP-UHFFFAOYSA-N 1 3 316.449 2.067 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[N@@H+](CCCC1CCC1)C2 ZINC001073016197 790386747 /nfs/dbraw/zinc/38/67/47/790386747.db2.gz NDCFDNKKLBXINP-UHFFFAOYSA-N 1 3 316.449 2.067 20 0 DEADHO C[C@@H](F)CC[NH2+]CC1(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001167225660 776782072 /nfs/dbraw/zinc/78/20/72/776782072.db2.gz WKUWMSSJAHYYTR-CABCVRRESA-N 1 3 313.461 2.095 20 0 DEADHO CC[C@@H](C(=O)NCCC1(C[NH2+]CCC(F)(F)F)CC1)N(C)C ZINC001167260757 776809165 /nfs/dbraw/zinc/80/91/65/776809165.db2.gz IMMXMOXAVZEJHN-LBPRGKRZSA-N 1 3 323.403 2.155 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001211257835 777022914 /nfs/dbraw/zinc/02/29/14/777022914.db2.gz VLUKNVBRLJLQLD-VOTDVEDPSA-N 1 3 313.873 2.194 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCC1CC([NH2+]CCC(C)(C)C)C1 ZINC001100677093 777676756 /nfs/dbraw/zinc/67/67/56/777676756.db2.gz YJGCPHXWKLSDLY-QQFBHYJXSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[NH2+]CC[C@H]1CCC[C@H](C)C1 ZINC001149135377 778089396 /nfs/dbraw/zinc/08/93/96/778089396.db2.gz YGWHCXYHHMEVDK-DZGCQCFKSA-N 1 3 306.454 2.183 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC[C@@H](C)F)C1 ZINC001104938329 778265345 /nfs/dbraw/zinc/26/53/45/778265345.db2.gz UFOHNASTNDUMHO-BZUAXINKSA-N 1 3 315.477 2.151 20 0 DEADHO CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C ZINC001105067113 778323134 /nfs/dbraw/zinc/32/31/34/778323134.db2.gz NDAWNBAVLKHNEV-BRWVUGGUSA-N 1 3 309.498 2.345 20 0 DEADHO CN(CCN(C)C(=O)CC1CC[NH+](C)CC1)Cc1ccccc1 ZINC001143353768 790617928 /nfs/dbraw/zinc/61/79/28/790617928.db2.gz NVKQXDVJJZGLEV-UHFFFAOYSA-N 1 3 317.477 2.309 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C(C)C)C1 ZINC001211690682 778609192 /nfs/dbraw/zinc/60/91/92/778609192.db2.gz HWWNLJBGHSZLOP-ZWKOTPCHSA-N 1 3 317.477 2.321 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCCC[C@H]([NH2+]CC3CCC3)C2)C1 ZINC001088381721 780050999 /nfs/dbraw/zinc/05/09/99/780050999.db2.gz KYJIKLFKJMKEAV-AEFFLSMTSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H](CCN[C@H]1CCN(C(=O)OCc2ccccc2)C1)[NH+](C)C ZINC000697839241 780951613 /nfs/dbraw/zinc/95/16/13/780951613.db2.gz ROROEVQIZHSUAX-RDJZCZTQSA-N 1 3 319.449 2.327 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001127077742 781720770 /nfs/dbraw/zinc/72/07/70/781720770.db2.gz JJFRDYQRUDIZAZ-KBPBESRZSA-N 1 3 317.424 2.000 20 0 DEADHO O=C1CCCCN1C1CC[NH+](C2CCN(CC3CC3)CC2)CC1 ZINC001168387851 781775617 /nfs/dbraw/zinc/77/56/17/781775617.db2.gz WBCUQKIRGDYKMD-UHFFFAOYSA-N 1 3 319.493 2.338 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCCNCc2cccc(Cl)c2)CC[N@@H+]1C ZINC001127695702 783535266 /nfs/dbraw/zinc/53/52/66/783535266.db2.gz UDBIHVZMLQHXHC-JKSUJKDBSA-N 1 3 323.868 2.276 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCCNCc2cccc(Cl)c2)CC[N@H+]1C ZINC001127695702 783535269 /nfs/dbraw/zinc/53/52/69/783535269.db2.gz UDBIHVZMLQHXHC-JKSUJKDBSA-N 1 3 323.868 2.276 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H](C)c2cccc(F)c2)CC[N@@H+]1C ZINC001127705393 783542754 /nfs/dbraw/zinc/54/27/54/783542754.db2.gz CGGCVOKYYTVFRY-XOKHGSTOSA-N 1 3 321.440 2.323 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H](C)c2cccc(F)c2)CC[N@H+]1C ZINC001127705393 783542756 /nfs/dbraw/zinc/54/27/56/783542756.db2.gz CGGCVOKYYTVFRY-XOKHGSTOSA-N 1 3 321.440 2.323 20 0 DEADHO O=C(N[C@@H]1CCCC[C@H]1[NH2+]CC1CC1)[C@H](C1CC1)N1CCCC1 ZINC001085284844 783618527 /nfs/dbraw/zinc/61/85/27/783618527.db2.gz OQNGGPOTVWPOAS-KURKYZTESA-N 1 3 319.493 2.288 20 0 DEADHO C[C@H]1CC[N@H+](CC2CCC2)C[C@@H]1NC(=O)C12CCCN1CCC2 ZINC000967204313 783902660 /nfs/dbraw/zinc/90/26/60/783902660.db2.gz HZZRRTOWNVUYFL-RDJZCZTQSA-N 1 3 319.493 2.242 20 0 DEADHO C[C@H]1CC[N@@H+](CC2CCC2)C[C@@H]1NC(=O)C12CCCN1CCC2 ZINC000967204313 783902666 /nfs/dbraw/zinc/90/26/66/783902666.db2.gz HZZRRTOWNVUYFL-RDJZCZTQSA-N 1 3 319.493 2.242 20 0 DEADHO CCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001085639173 783914266 /nfs/dbraw/zinc/91/42/66/783914266.db2.gz JSABNNKUUTZPPS-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001085639173 783914269 /nfs/dbraw/zinc/91/42/69/783914269.db2.gz JSABNNKUUTZPPS-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CCCCN1CC[C@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001085668340 783941708 /nfs/dbraw/zinc/94/17/08/783941708.db2.gz AUJIKAGFCUCGHF-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO CCc1ccccc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000967925101 784177582 /nfs/dbraw/zinc/17/75/82/784177582.db2.gz NRCDPLPRKAVJHE-MSOLQXFVSA-N 1 3 315.461 2.034 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000967925392 784177919 /nfs/dbraw/zinc/17/79/19/784177919.db2.gz OVXMYPXEMVMHBT-HZPDHXFCSA-N 1 3 321.852 2.125 20 0 DEADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c(C)c1 ZINC000967926469 784178339 /nfs/dbraw/zinc/17/83/39/784178339.db2.gz VXUDKRRXZNHYCG-QZTJIDSGSA-N 1 3 315.461 2.088 20 0 DEADHO CCCCN1CC[C@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001085901511 784192522 /nfs/dbraw/zinc/19/25/22/784192522.db2.gz HCSWHVVHUAXZOC-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968418490 784373981 /nfs/dbraw/zinc/37/39/81/784373981.db2.gz LFZNWQOCOXWLKI-YOEHRIQHSA-N 1 3 303.450 2.208 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1)C1CC1 ZINC000968912521 784647212 /nfs/dbraw/zinc/64/72/12/784647212.db2.gz JPEFQTVAQFCIKN-IAGOWNOFSA-N 1 3 319.493 2.097 20 0 DEADHO CCCN1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001007498665 784937890 /nfs/dbraw/zinc/93/78/90/784937890.db2.gz LMDHPSKYEZZESK-DOTOQJQBSA-N 1 3 307.482 2.384 20 0 DEADHO CCCN1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001007498665 784937896 /nfs/dbraw/zinc/93/78/96/784937896.db2.gz LMDHPSKYEZZESK-DOTOQJQBSA-N 1 3 307.482 2.384 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NCCC(=O)OCc1ccccc1)C2 ZINC001169100484 785034753 /nfs/dbraw/zinc/03/47/53/785034753.db2.gz JVTNIOWQOHXXBV-OSYLJGHBSA-N 1 3 302.418 2.335 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NCCC(=O)OCc1ccccc1)C2 ZINC001169100484 785034763 /nfs/dbraw/zinc/03/47/63/785034763.db2.gz JVTNIOWQOHXXBV-OSYLJGHBSA-N 1 3 302.418 2.335 20 0 DEADHO CCc1noc(C2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)N4C)CC2)n1 ZINC001169142169 785061059 /nfs/dbraw/zinc/06/10/59/785061059.db2.gz AHJULTJAEUWQOP-QDMKHBRRSA-N 1 3 304.438 2.437 20 0 DEADHO CC[NH+]1CCC(NCCC(=O)N2CCc3ccccc32)CC1 ZINC001169231147 785098657 /nfs/dbraw/zinc/09/86/57/785098657.db2.gz RQKDUVOFTXZAAC-UHFFFAOYSA-N 1 3 301.434 2.040 20 0 DEADHO CC(=O)N1CCC[C@@H](NC2CC[NH+](C[C@H]3CC=CCC3)CC2)C1 ZINC001169596733 785254951 /nfs/dbraw/zinc/25/49/51/785254951.db2.gz JMBLKYAVUMOKCJ-PKOBYXMFSA-N 1 3 319.493 2.408 20 0 DEADHO CC(=O)N1CCC[C@@H](N(Cc2ccccc2)C[C@@H](C)C[NH3+])C1 ZINC001169585467 785264959 /nfs/dbraw/zinc/26/49/59/785264959.db2.gz ICVZBIYAKPKSSC-MAUKXSAKSA-N 1 3 303.450 2.094 20 0 DEADHO NCc1ccc2c(n1)N(c1ccc([C@@H]3CCC[NH2+]3)cn1)CCC2 ZINC001169585022 785265236 /nfs/dbraw/zinc/26/52/36/785265236.db2.gz XPIRMNVKOYCPRJ-INIZCTEOSA-N 1 3 309.417 2.444 20 0 DEADHO [NH3+][C@H]1CCC[C@@H](N[C@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169718358 785325304 /nfs/dbraw/zinc/32/53/04/785325304.db2.gz CUQKLGAIIMZXRZ-BBWFWOEESA-N 1 3 301.434 2.151 20 0 DEADHO C[C@H]([NH2+]CCNC(=O)C1(N(C)C)CCC1)c1ccc(F)cc1 ZINC001129364814 785543212 /nfs/dbraw/zinc/54/32/12/785543212.db2.gz ZLRJCHFNUARBCC-ZDUSSCGKSA-N 1 3 307.413 2.077 20 0 DEADHO C[C@H](CCCC[NH2+]CCC1CC1)NC(=O)[C@H](C1CC1)N(C)C ZINC001171248041 791124181 /nfs/dbraw/zinc/12/41/81/791124181.db2.gz QFWTUKCYHLIZTE-PBHICJAKSA-N 1 3 309.498 2.391 20 0 DEADHO O=C(N[C@H]1CCN(CC2=CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001015089568 786890725 /nfs/dbraw/zinc/89/07/25/786890725.db2.gz KHYABDKBPHIRPN-KRWDZBQOSA-N 1 3 317.477 2.306 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001114263431 787190701 /nfs/dbraw/zinc/19/07/01/787190701.db2.gz VIBGCMMTSODMIV-VVASQPKJSA-N 1 3 319.493 2.262 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001114263431 787190709 /nfs/dbraw/zinc/19/07/09/787190709.db2.gz VIBGCMMTSODMIV-VVASQPKJSA-N 1 3 319.493 2.262 20 0 DEADHO CC[C@@H]([NH2+]CCNC(=O)[C@H](C1CC1)N(C)C)c1ccccc1 ZINC001129442714 787215164 /nfs/dbraw/zinc/21/51/64/787215164.db2.gz DINLZFTZSZTIJJ-SJORKVTESA-N 1 3 303.450 2.184 20 0 DEADHO CN(C)[C@@H](C(=O)NCC[NH2+]CC/C=C\c1ccccc1)C1CC1 ZINC001129443628 787215652 /nfs/dbraw/zinc/21/56/52/787215652.db2.gz LIPWTCOUAQRVCD-OEPRFQHASA-N 1 3 315.461 2.136 20 0 DEADHO CN(CC(=O)NCC[NH2+]Cc1ccccc1C1CC1)C1CCC1 ZINC001129531593 787222091 /nfs/dbraw/zinc/22/20/91/787222091.db2.gz ASCZIXOAWRIJEW-UHFFFAOYSA-N 1 3 315.461 2.254 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+]CC[C@H]1CCc2ccccc21)N(C)C ZINC001130203838 787313428 /nfs/dbraw/zinc/31/34/28/787313428.db2.gz YTEJIASQSMKJNZ-SJLPKXTDSA-N 1 3 317.477 2.153 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CC1CCC(F)(F)CC1 ZINC001130426808 787389231 /nfs/dbraw/zinc/38/92/31/787389231.db2.gz CNUPMTPFERMPGR-UHFFFAOYSA-N 1 3 319.440 2.248 20 0 DEADHO C[NH+](C)C1(CC(=O)NCCNCc2ccsc2)CCCC1 ZINC001131844420 787762569 /nfs/dbraw/zinc/76/25/69/787762569.db2.gz HKKNLFPPWNLQQM-UHFFFAOYSA-N 1 3 309.479 2.218 20 0 DEADHO C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C[NH2+]CCC1CC1 ZINC001132894206 788220415 /nfs/dbraw/zinc/22/04/15/788220415.db2.gz YYZFNNPBQFUDON-RDJZCZTQSA-N 1 3 321.509 2.345 20 0 DEADHO C[NH+](C)CCC(=O)NCCNCc1cc(Cl)cc(Cl)c1 ZINC001133288199 788350051 /nfs/dbraw/zinc/35/00/51/788350051.db2.gz RXALSLHPUZNSGQ-UHFFFAOYSA-N 1 3 318.248 2.151 20 0 DEADHO C[C@@H](NCCNC(=O)CC[NH+](C)C)c1ccc(F)c(Cl)c1 ZINC001133299905 788353428 /nfs/dbraw/zinc/35/34/28/788353428.db2.gz ADYNBWLCAZBITJ-LLVKDONJSA-N 1 3 315.820 2.198 20 0 DEADHO C[C@H]([NH2+]CCNC(=O)CN1CCC[C@@H]1C)c1cccc(F)c1 ZINC001133833985 788626846 /nfs/dbraw/zinc/62/68/46/788626846.db2.gz LEGLLMYXKAUBAR-KBPBESRZSA-N 1 3 307.413 2.077 20 0 DEADHO C[C@@H]([NH2+]CCNC(=O)CN1CCC[C@H]1C)c1cccc(F)c1 ZINC001133833988 788627434 /nfs/dbraw/zinc/62/74/34/788627434.db2.gz LEGLLMYXKAUBAR-ZIAGYGMSSA-N 1 3 307.413 2.077 20 0 DEADHO Cc1cccc([C@H](C)[NH2+]CCNC(=O)CN2CCC[C@@H]2C)c1 ZINC001133824099 788630191 /nfs/dbraw/zinc/63/01/91/788630191.db2.gz XTFFDXVOGJNHFU-HOTGVXAUSA-N 1 3 303.450 2.246 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]CCc1ccccc1Cl ZINC001133824008 788630235 /nfs/dbraw/zinc/63/02/35/788630235.db2.gz VUNWIBDYCQUCJQ-CQSZACIVSA-N 1 3 323.868 2.073 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+][C@H](C)c1cc(C)ccc1C)N(C)C ZINC001133965646 788694657 /nfs/dbraw/zinc/69/46/57/788694657.db2.gz CSEYLCRKFHWAMG-WBVHZDCISA-N 1 3 305.466 2.410 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+][C@@H]1CCCc2ccccc21)N(C)C ZINC001133966068 788696505 /nfs/dbraw/zinc/69/65/05/788696505.db2.gz VVTGWBJRGPASLQ-SJORKVTESA-N 1 3 303.450 2.110 20 0 DEADHO N[C@@H](CCC[NH3+])Nc1ccc2c(c1)N(c1ccccc1)C(=O)C2 ZINC001170904808 789648916 /nfs/dbraw/zinc/64/89/16/789648916.db2.gz PNHLJUDJMSHHGS-QGZVFWFLSA-N 1 3 310.401 2.343 20 0 DEADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H](N)CC1CC1 ZINC000398126979 790248882 /nfs/dbraw/zinc/24/88/82/790248882.db2.gz IIZDUAIAWSFQAO-ZTFGCOKTSA-N 1 3 315.461 2.141 20 0 DEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H](N)CC1CC1 ZINC000398126979 790248887 /nfs/dbraw/zinc/24/88/87/790248887.db2.gz IIZDUAIAWSFQAO-ZTFGCOKTSA-N 1 3 315.461 2.141 20 0 DEADHO O=C(CN1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccsc1 ZINC001098401632 791623720 /nfs/dbraw/zinc/62/37/20/791623720.db2.gz HUPWXMCKRXLWIB-OAGGEKHMSA-N 1 3 319.474 2.065 20 0 DEADHO O=C(CN1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccsc1 ZINC001098401632 791623724 /nfs/dbraw/zinc/62/37/24/791623724.db2.gz HUPWXMCKRXLWIB-OAGGEKHMSA-N 1 3 319.474 2.065 20 0 DEADHO CC/C=C/CC[N@@H+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001148278205 791728806 /nfs/dbraw/zinc/72/88/06/791728806.db2.gz ULPWGDUZAPTEHM-BDUNBXCCSA-N 1 3 319.493 2.361 20 0 DEADHO CC/C=C/CC[N@H+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001148278205 791728812 /nfs/dbraw/zinc/72/88/12/791728812.db2.gz ULPWGDUZAPTEHM-BDUNBXCCSA-N 1 3 319.493 2.361 20 0 DEADHO C[C@H](NCCNC(=O)CCCC[NH+](C)C)c1cccc(F)c1 ZINC001148364796 791741050 /nfs/dbraw/zinc/74/10/50/791741050.db2.gz BOICXCPEPZOBIA-AWEZNQCLSA-N 1 3 309.429 2.324 20 0 DEADHO C[NH+](C)CCCCC(=O)NCCNCc1cc2ccccc2o1 ZINC001148360411 791741188 /nfs/dbraw/zinc/74/11/88/791741188.db2.gz TYHKHRCJXBJQSW-UHFFFAOYSA-N 1 3 317.433 2.371 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](CCCC1CCC1)C2 ZINC001148651973 791781160 /nfs/dbraw/zinc/78/11/60/791781160.db2.gz USIZYAQMAFJVMK-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](CCCC1CCC1)C2 ZINC001148651973 791781162 /nfs/dbraw/zinc/78/11/62/791781162.db2.gz USIZYAQMAFJVMK-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CC(C)[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001086945935 791858398 /nfs/dbraw/zinc/85/83/98/791858398.db2.gz MACQJXAJFOQQJJ-AWEZNQCLSA-N 1 3 304.438 2.064 20 0 DEADHO CC(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001086946151 791858428 /nfs/dbraw/zinc/85/84/28/791858428.db2.gz RHLDYDYXHCGORP-HNNXBMFYSA-N 1 3 318.465 2.311 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014615 791922736 /nfs/dbraw/zinc/92/27/36/791922736.db2.gz ALPVMXHIMCTANU-APWZRJJASA-N 1 3 321.509 2.299 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014615 791922739 /nfs/dbraw/zinc/92/27/39/791922739.db2.gz ALPVMXHIMCTANU-APWZRJJASA-N 1 3 321.509 2.299 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@]2(C)C1 ZINC001092301436 791974276 /nfs/dbraw/zinc/97/42/76/791974276.db2.gz ILWGVQGWJMSKGP-LMMKCTJWSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@]2(C)C1 ZINC001092301436 791974285 /nfs/dbraw/zinc/97/42/85/791974285.db2.gz ILWGVQGWJMSKGP-LMMKCTJWSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)(C(=O)NCC1CC([NH2+]C/C=C/Cl)C1)N1CCCC1 ZINC001100563407 792722096 /nfs/dbraw/zinc/72/20/96/792722096.db2.gz GUIPFCURAOMAHR-AATRIKPKSA-N 1 3 313.873 2.098 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1conc1C)N(C)C ZINC001171501553 793114329 /nfs/dbraw/zinc/11/43/29/793114329.db2.gz SZEBBDSAGGLGAY-CZUORRHYSA-N 1 3 324.469 2.088 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1cc(C)no1)N(C)C ZINC001171501749 793114710 /nfs/dbraw/zinc/11/47/10/793114710.db2.gz WCUNZLBTPYYXOS-CZUORRHYSA-N 1 3 324.469 2.088 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]C[C@H](C)OC ZINC001171586076 793127677 /nfs/dbraw/zinc/12/76/77/793127677.db2.gz IQWJIBVDYKTRFY-CABCVRRESA-N 1 3 315.502 2.016 20 0 DEADHO CCN1CC[C@H](NC2CC[NH+](CC3CCCC3)CC2)CC1=O ZINC001172033419 793298727 /nfs/dbraw/zinc/29/87/27/793298727.db2.gz ZSJQVGWUMJFTCI-KRWDZBQOSA-N 1 3 307.482 2.242 20 0 DEADHO CCN1CC[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)CC1=O ZINC001172033419 793298733 /nfs/dbraw/zinc/29/87/33/793298733.db2.gz ZSJQVGWUMJFTCI-KRWDZBQOSA-N 1 3 307.482 2.242 20 0 DEADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc3c(c1)NC(=O)CO3)C2 ZINC001172109451 793332610 /nfs/dbraw/zinc/33/26/10/793332610.db2.gz DETLKRGOYHEEQU-QKDCVEJESA-N 1 3 315.417 2.122 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@@]1(O)CCOc3ccccc31)C2 ZINC001172112746 793335263 /nfs/dbraw/zinc/33/52/63/793335263.db2.gz ZQPUVQKPVZFTAX-RCJHGTSTSA-N 1 3 316.445 2.262 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@@]1(O)CCOc3ccccc31)C2 ZINC001172112746 793335266 /nfs/dbraw/zinc/33/52/66/793335266.db2.gz ZQPUVQKPVZFTAX-RCJHGTSTSA-N 1 3 316.445 2.262 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC3CC1(C(=O)N1CCCC1)C3)C2 ZINC001172115378 793337710 /nfs/dbraw/zinc/33/77/10/793337710.db2.gz GNQBCDAHFHFANO-DEJHLMLXSA-N 1 3 317.477 2.089 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC3CC1(C(=O)N1CCCC1)C3)C2 ZINC001172115378 793337719 /nfs/dbraw/zinc/33/77/19/793337719.db2.gz GNQBCDAHFHFANO-DEJHLMLXSA-N 1 3 317.477 2.089 20 0 DEADHO CCOCC[C@@H](C)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001172420851 793417575 /nfs/dbraw/zinc/41/75/75/793417575.db2.gz PQYZWEROENSCMA-NZSAHSFTSA-N 1 3 324.509 2.482 20 0 DEADHO CCOCC[C@@H](C)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001172420851 793417577 /nfs/dbraw/zinc/41/75/77/793417577.db2.gz PQYZWEROENSCMA-NZSAHSFTSA-N 1 3 324.509 2.482 20 0 DEADHO CC(C)[N@H+](CCCN)[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172662657 793466897 /nfs/dbraw/zinc/46/68/97/793466897.db2.gz GKVKTYCKJRIXFM-QGZVFWFLSA-N 1 3 303.450 2.237 20 0 DEADHO CC(C)[N@@H+](CCCN)[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172662657 793466899 /nfs/dbraw/zinc/46/68/99/793466899.db2.gz GKVKTYCKJRIXFM-QGZVFWFLSA-N 1 3 303.450 2.237 20 0 DEADHO COC(=O)N1CCC(N[C@@H](CC[NH+](C)C)c2ccccc2)CC1 ZINC001172731660 793483570 /nfs/dbraw/zinc/48/35/70/793483570.db2.gz REODKNBRQOMFBF-KRWDZBQOSA-N 1 3 319.449 2.500 20 0 DEADHO CC(C)CC[N@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102044792 793485383 /nfs/dbraw/zinc/48/53/83/793485383.db2.gz FRBLZSPMOCXOSW-HZPDHXFCSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)CC[N@@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102044792 793485387 /nfs/dbraw/zinc/48/53/87/793485387.db2.gz FRBLZSPMOCXOSW-HZPDHXFCSA-N 1 3 309.498 2.201 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048501 793486850 /nfs/dbraw/zinc/48/68/50/793486850.db2.gz FBLQRVFVTALILN-RKUQWRNASA-N 1 3 321.509 2.367 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048501 793486855 /nfs/dbraw/zinc/48/68/55/793486855.db2.gz FBLQRVFVTALILN-RKUQWRNASA-N 1 3 321.509 2.367 20 0 DEADHO CCC(CC)C[N@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369949 793589048 /nfs/dbraw/zinc/58/90/48/793589048.db2.gz LVOVAFKLLGVCFT-LZLYRXPVSA-N 1 3 323.525 2.449 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369949 793589054 /nfs/dbraw/zinc/58/90/54/793589054.db2.gz LVOVAFKLLGVCFT-LZLYRXPVSA-N 1 3 323.525 2.449 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](CC3CCCC3)C[C@H]2C)C1 ZINC001102369810 793589341 /nfs/dbraw/zinc/58/93/41/793589341.db2.gz HPTSFBYJTAYVCG-LZLYRXPVSA-N 1 3 321.509 2.203 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CC3CCCC3)C[C@H]2C)C1 ZINC001102369810 793589352 /nfs/dbraw/zinc/58/93/52/793589352.db2.gz HPTSFBYJTAYVCG-LZLYRXPVSA-N 1 3 321.509 2.203 20 0 DEADHO CC(C)CCC[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369818 793589660 /nfs/dbraw/zinc/58/96/60/793589660.db2.gz HXCREEMCRSWOJO-KZNAEPCWSA-N 1 3 323.525 2.449 20 0 DEADHO CC(C)CCC[N@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369818 793589650 /nfs/dbraw/zinc/58/96/50/793589650.db2.gz HXCREEMCRSWOJO-KZNAEPCWSA-N 1 3 323.525 2.449 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CC2CC(C)C2)C[C@H]1C ZINC001102524891 793639244 /nfs/dbraw/zinc/63/92/44/793639244.db2.gz CBDNWZVOXLTHKK-MNAZLIDISA-N 1 3 309.498 2.058 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CC2CC(C)C2)C[C@H]1C ZINC001102524891 793639251 /nfs/dbraw/zinc/63/92/51/793639251.db2.gz CBDNWZVOXLTHKK-MNAZLIDISA-N 1 3 309.498 2.058 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C ZINC001102525309 793641164 /nfs/dbraw/zinc/64/11/64/793641164.db2.gz WAZBTDFCQKAEJW-NVXWUHKLSA-N 1 3 309.498 2.203 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C ZINC001102525309 793641168 /nfs/dbraw/zinc/64/11/68/793641168.db2.gz WAZBTDFCQKAEJW-NVXWUHKLSA-N 1 3 309.498 2.203 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCCC(C)C)C[C@H]1C ZINC001102525295 793642482 /nfs/dbraw/zinc/64/24/82/793642482.db2.gz VNJPMRCVHZRETQ-IAGOWNOFSA-N 1 3 311.514 2.449 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1C ZINC001102525295 793642483 /nfs/dbraw/zinc/64/24/83/793642483.db2.gz VNJPMRCVHZRETQ-IAGOWNOFSA-N 1 3 311.514 2.449 20 0 DEADHO CCN1CC[C@H](N[C@@H](C[NH3+])c2ccc(Br)cc2)C1 ZINC001173351611 793685290 /nfs/dbraw/zinc/68/52/90/793685290.db2.gz ZTJTYUGOTXGUQP-KBPBESRZSA-N 1 3 312.255 2.133 20 0 DEADHO CCCN1C[C@@H]2C[NH+](C3CCN(CC(F)(F)F)CC3)C[C@H]2C1 ZINC001173674198 793805920 /nfs/dbraw/zinc/80/59/20/793805920.db2.gz CPTWPGVYEJLMMK-ZIAGYGMSSA-N 1 3 319.415 2.287 20 0 DEADHO [NH3+]C1(CC2CCC2)CCN([C@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173741994 793831003 /nfs/dbraw/zinc/83/10/03/793831003.db2.gz JVMFAJPXGFJMDB-JKSUJKDBSA-N 1 3 318.469 2.140 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]CCC1CCCCC1 ZINC001174682581 794038865 /nfs/dbraw/zinc/03/88/65/794038865.db2.gz JKEBHIVKHPAJMR-UHFFFAOYSA-N 1 3 306.454 2.327 20 0 DEADHO CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001103677299 794188041 /nfs/dbraw/zinc/18/80/41/794188041.db2.gz VXCVIKPIEBQWHU-UKRRQHHQSA-N 1 3 306.454 2.135 20 0 DEADHO CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001103677299 794188047 /nfs/dbraw/zinc/18/80/47/794188047.db2.gz VXCVIKPIEBQWHU-UKRRQHHQSA-N 1 3 306.454 2.135 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1cnoc1C ZINC001176285026 794390214 /nfs/dbraw/zinc/39/02/14/794390214.db2.gz LQANCGFWRWQTDQ-AWEZNQCLSA-N 1 3 324.469 2.089 20 0 DEADHO CC[C@H](F)C[NH2+]CCCC[C@H](C)NC(=O)CN(C)C(C)C ZINC001176753327 794498067 /nfs/dbraw/zinc/49/80/67/794498067.db2.gz GCIRFPSLCBWYLH-GJZGRUSLSA-N 1 3 303.466 2.339 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)CCCC[NH2+]C/C=C/Cl ZINC001176760063 794499481 /nfs/dbraw/zinc/49/94/81/794499481.db2.gz PGNBKGYEYKCMRC-RCQQVGEISA-N 1 3 303.878 2.344 20 0 DEADHO Cc1nc(C(C)C)oc1C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176980855 794546553 /nfs/dbraw/zinc/54/65/53/794546553.db2.gz SYMWFMCHBHZKNO-UHFFFAOYSA-N 1 3 324.469 2.043 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001176986066 794546616 /nfs/dbraw/zinc/54/66/16/794546616.db2.gz CYMYLQHDQJFCMB-QGZVFWFLSA-N 1 3 321.440 2.249 20 0 DEADHO CC(C)c1cccc(C[NH2+]CCCNC(=O)CN(C)C(C)C)n1 ZINC001176980315 794546954 /nfs/dbraw/zinc/54/69/54/794546954.db2.gz BJEBBVAJJLUJFR-UHFFFAOYSA-N 1 3 320.481 2.141 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CCc1cccs1 ZINC001176992317 794551669 /nfs/dbraw/zinc/55/16/69/794551669.db2.gz LYJXGKWNOAAZRV-MRXNPFEDSA-N 1 3 323.506 2.261 20 0 DEADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cnc(Cl)c(C)c2)CC1 ZINC001177724685 794729226 /nfs/dbraw/zinc/72/92/26/794729226.db2.gz IBEDIEQSUBRVJE-AWEZNQCLSA-N 1 3 324.900 2.407 20 0 DEADHO CN(CC(=O)NCC1([NH2+]CCF)CCCCC1)CC(C)(C)C ZINC001115730189 794899397 /nfs/dbraw/zinc/89/93/97/794899397.db2.gz FAGFXJFWJYXCBZ-UHFFFAOYSA-N 1 3 315.477 2.343 20 0 DEADHO C[C@H](F)CC[NH2+]CCCCCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001178698237 794980435 /nfs/dbraw/zinc/98/04/35/794980435.db2.gz CIXHJTOSCMHGIY-GOEBONIOSA-N 1 3 315.477 2.341 20 0 DEADHO CC[C@H](C(=O)NCCCCCC[NH2+]C/C=C\Cl)N(C)C ZINC001178820441 795014636 /nfs/dbraw/zinc/01/46/36/795014636.db2.gz YYMGPJSJFBXSNY-CFYYFVFUSA-N 1 3 303.878 2.345 20 0 DEADHO CC[C@H](C(=O)NCCCCCC[NH2+]C/C=C/Cl)N(C)C ZINC001178820440 795014704 /nfs/dbraw/zinc/01/47/04/795014704.db2.gz YYMGPJSJFBXSNY-ATWMFIQVSA-N 1 3 303.878 2.345 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCCC2CCC2)[C@@H]1C)N(C)C ZINC001178990117 795045463 /nfs/dbraw/zinc/04/54/63/795045463.db2.gz ICSYUFOGEUPSFI-BHYGNILZSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@H](F)C[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@H]1C ZINC001179550488 795135586 /nfs/dbraw/zinc/13/55/86/795135586.db2.gz XPZLANWZEOCQNO-KKUMJFAQSA-N 1 3 315.477 2.291 20 0 DEADHO CC[C@@H](C)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H]1C ZINC001179546286 795135868 /nfs/dbraw/zinc/13/58/68/795135868.db2.gz JNGZXTKQYSEVHE-PMPSAXMXSA-N 1 3 309.498 2.343 20 0 DEADHO C[NH+](C)CCCC(=O)N1CCC[C@H]([C@@H]2CCCN2CCF)C1 ZINC001120422293 795456110 /nfs/dbraw/zinc/45/61/10/795456110.db2.gz LFVDHIJNVXYWSQ-HOTGVXAUSA-N 1 3 313.461 2.001 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001120440121 795460135 /nfs/dbraw/zinc/46/01/35/795460135.db2.gz LTGLXMUCROXFBR-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001120440121 795460139 /nfs/dbraw/zinc/46/01/39/795460139.db2.gz LTGLXMUCROXFBR-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CC[N@@H+]1CC[C@@H](CNCCC(=O)Nc2cccc(F)c2C)C1 ZINC001120573229 795488386 /nfs/dbraw/zinc/48/83/86/795488386.db2.gz MQNWLQFZZBUSDJ-AWEZNQCLSA-N 1 3 307.413 2.394 20 0 DEADHO CC[N@H+]1CC[C@@H](CNCCC(=O)Nc2cccc(F)c2C)C1 ZINC001120573229 795488393 /nfs/dbraw/zinc/48/83/93/795488393.db2.gz MQNWLQFZZBUSDJ-AWEZNQCLSA-N 1 3 307.413 2.394 20 0 DEADHO CCN1CC[C@@H](C[NH2+]CCC(=O)Nc2cccc(F)c2C)C1 ZINC001120573229 795488400 /nfs/dbraw/zinc/48/84/00/795488400.db2.gz MQNWLQFZZBUSDJ-AWEZNQCLSA-N 1 3 307.413 2.394 20 0 DEADHO CC(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001181755777 795533501 /nfs/dbraw/zinc/53/35/01/795533501.db2.gz VYLIKZUYCHOULT-QGPMSJSTSA-N 1 3 309.498 2.057 20 0 DEADHO C[NH+](C)CCCOc1cnccc1CNC[C@]1(C)CCCCO1 ZINC001182152093 795614798 /nfs/dbraw/zinc/61/47/98/795614798.db2.gz IQNZMPVWZRUGBQ-SFHVURJKSA-N 1 3 321.465 2.461 20 0 DEADHO CC(C)[C@H](C(=O)NC1CC2(C1)CC([NH2+]CC1CCC1)C2)N(C)C ZINC001121707942 795677613 /nfs/dbraw/zinc/67/76/13/795677613.db2.gz MYOQCCVQOQHEBP-APUKJBRXSA-N 1 3 321.509 2.390 20 0 DEADHO C[NH+](C)CCCOc1ccc(NC(=O)[C@]23C[C@H]2CCCN3)cc1 ZINC001121998161 795715011 /nfs/dbraw/zinc/71/50/11/795715011.db2.gz RRMAMZWJTUIOHD-KDOFPFPSSA-N 1 3 317.433 2.098 20 0 DEADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@]1(C)C[NH2+]CCC(C)(C)C ZINC001182740394 795746105 /nfs/dbraw/zinc/74/61/05/795746105.db2.gz BVOAENUTASHTIT-RDTXWAMCSA-N 1 3 320.481 2.463 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C(C)C)C1 ZINC001183517148 795879119 /nfs/dbraw/zinc/87/91/19/795879119.db2.gz REMOJXAJCDWOBL-SOLBZPMBSA-N 1 3 309.498 2.343 20 0 DEADHO CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1C ZINC001183517209 795879461 /nfs/dbraw/zinc/87/94/61/795879461.db2.gz UUNGJFXBQOIOCZ-SOLBZPMBSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001184565410 796084045 /nfs/dbraw/zinc/08/40/45/796084045.db2.gz JHUWYTDOIZZUHZ-JKSUJKDBSA-N 1 3 309.498 2.201 20 0 DEADHO CCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001185169746 796201866 /nfs/dbraw/zinc/20/18/66/796201866.db2.gz MQOMPUCADGANTG-HOTGVXAUSA-N 1 3 311.514 2.449 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1C[NH2+]CCF ZINC001185170729 796202251 /nfs/dbraw/zinc/20/22/51/796202251.db2.gz RECUTEPLZGVLCX-LSDHHAIUSA-N 1 3 315.477 2.008 20 0 DEADHO CCCCC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001185214043 796214278 /nfs/dbraw/zinc/21/42/78/796214278.db2.gz GLVFBRJEWHAWQV-LSDHHAIUSA-N 1 3 306.454 2.217 20 0 DEADHO CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001185676482 796308120 /nfs/dbraw/zinc/30/81/20/796308120.db2.gz YWXVZZHRKYXZBZ-SQRWCISFSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001185751326 796315664 /nfs/dbraw/zinc/31/56/64/796315664.db2.gz PBKHQDVUGZJLKQ-SJORKVTESA-N 1 3 311.514 2.447 20 0 DEADHO CCC1(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)COC1 ZINC001202936529 796379211 /nfs/dbraw/zinc/37/92/11/796379211.db2.gz MISPITGSWVTREM-HKUYNNGSSA-N 1 3 322.493 2.093 20 0 DEADHO CCC1(CN2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)COC1 ZINC001202936529 796379216 /nfs/dbraw/zinc/37/92/16/796379216.db2.gz MISPITGSWVTREM-HKUYNNGSSA-N 1 3 322.493 2.093 20 0 DEADHO CCN(CC)CC(=O)N1CCC([NH2+]Cc2ccccc2F)CC1 ZINC001203006267 796484242 /nfs/dbraw/zinc/48/42/42/796484242.db2.gz XAOIGGOPDPYCPT-UHFFFAOYSA-N 1 3 321.440 2.248 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001187284478 796514452 /nfs/dbraw/zinc/51/44/52/796514452.db2.gz XMTYNANKDNOYCM-GOSISDBHSA-N 1 3 317.477 2.336 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CCC3CC3)C23CCC3)CCC1 ZINC001203028056 796514732 /nfs/dbraw/zinc/51/47/32/796514732.db2.gz KIBRHINZBNBJOS-CVEARBPZSA-N 1 3 319.493 2.288 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC001188158729 796640983 /nfs/dbraw/zinc/64/09/83/796640983.db2.gz WPKPUZMVYHTGDG-AEFFLSMTSA-N 1 3 315.461 2.205 20 0 DEADHO CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001190667538 797044409 /nfs/dbraw/zinc/04/44/09/797044409.db2.gz VFPDMLHIFMJBAG-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001190667538 797044417 /nfs/dbraw/zinc/04/44/17/797044417.db2.gz VFPDMLHIFMJBAG-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190645049 797047339 /nfs/dbraw/zinc/04/73/39/797047339.db2.gz POZGIPFHXZMUPG-MWWKQMNYSA-N 1 3 307.482 2.360 20 0 DEADHO CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190645049 797047346 /nfs/dbraw/zinc/04/73/46/797047346.db2.gz POZGIPFHXZMUPG-MWWKQMNYSA-N 1 3 307.482 2.360 20 0 DEADHO CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001190656571 797049741 /nfs/dbraw/zinc/04/97/41/797049741.db2.gz VHHHSKHLYPLFDE-IAGOWNOFSA-N 1 3 309.498 2.296 20 0 DEADHO CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001190656571 797049747 /nfs/dbraw/zinc/04/97/47/797049747.db2.gz VHHHSKHLYPLFDE-IAGOWNOFSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)N(C)CC(=O)NCC[NH2+]CC/C=C\c1ccccc1 ZINC001152433083 797187366 /nfs/dbraw/zinc/18/73/66/797187366.db2.gz TZGODTQBLNNHRZ-XFFZJAGNSA-N 1 3 303.450 2.136 20 0 DEADHO CCCc1cc(C(=O)N(CC[NH+](CC)CC)C(=N)N)ccc1F ZINC001191998784 797296966 /nfs/dbraw/zinc/29/69/66/797296966.db2.gz XPHPNLMZFNDRSI-UHFFFAOYSA-N 1 3 322.428 2.456 20 0 DEADHO CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001192342702 797365962 /nfs/dbraw/zinc/36/59/62/797365962.db2.gz KBQUFKCKDWIOJH-RDJZCZTQSA-N 1 3 309.498 2.440 20 0 DEADHO CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001192342702 797365970 /nfs/dbraw/zinc/36/59/70/797365970.db2.gz KBQUFKCKDWIOJH-RDJZCZTQSA-N 1 3 309.498 2.440 20 0 DEADHO CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001192356178 797372149 /nfs/dbraw/zinc/37/21/49/797372149.db2.gz WVXFYJUENJYILY-NVXWUHKLSA-N 1 3 309.498 2.297 20 0 DEADHO CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001192356178 797372157 /nfs/dbraw/zinc/37/21/57/797372157.db2.gz WVXFYJUENJYILY-NVXWUHKLSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H](F)CC[N@H+](C)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001192406924 797385605 /nfs/dbraw/zinc/38/56/05/797385605.db2.gz PEQCMDYGPZAGDE-LSDHHAIUSA-N 1 3 315.477 2.245 20 0 DEADHO C[C@H](F)CC[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001192406924 797385610 /nfs/dbraw/zinc/38/56/10/797385610.db2.gz PEQCMDYGPZAGDE-LSDHHAIUSA-N 1 3 315.477 2.245 20 0 DEADHO CC[N@H+](CC1CC(C)C1)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001153828903 797405857 /nfs/dbraw/zinc/40/58/57/797405857.db2.gz QXBFTIAGZDHGPD-HWOWSKLDSA-N 1 3 309.498 2.343 20 0 DEADHO CC[N@@H+](CC1CC(C)C1)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001153828903 797405861 /nfs/dbraw/zinc/40/58/61/797405861.db2.gz QXBFTIAGZDHGPD-HWOWSKLDSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(C)c2)C1 ZINC001193622646 797594086 /nfs/dbraw/zinc/59/40/86/797594086.db2.gz QIWWUYBIQUPRIE-GOSISDBHSA-N 1 3 317.477 2.370 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(C)c2)C1 ZINC001193622646 797594088 /nfs/dbraw/zinc/59/40/88/797594088.db2.gz QIWWUYBIQUPRIE-GOSISDBHSA-N 1 3 317.477 2.370 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)CCCCCF)C1 ZINC001193639589 797598415 /nfs/dbraw/zinc/59/84/15/797598415.db2.gz BTSBRAKPFYGSTB-HNNXBMFYSA-N 1 3 301.450 2.001 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)CCCCCF)C1 ZINC001193639589 797598418 /nfs/dbraw/zinc/59/84/18/797598418.db2.gz BTSBRAKPFYGSTB-HNNXBMFYSA-N 1 3 301.450 2.001 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)CCCC2CCC2)C1 ZINC001194296054 797710775 /nfs/dbraw/zinc/71/07/75/797710775.db2.gz VCRJYLGVACRKRD-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001194296054 797710780 /nfs/dbraw/zinc/71/07/80/797710780.db2.gz VCRJYLGVACRKRD-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CC1CC(F)(F)C1)N(C)C ZINC001155289185 797726771 /nfs/dbraw/zinc/72/67/71/797726771.db2.gz NDFMIHGQCIRTDC-OCCSQVGLSA-N 1 3 319.440 2.199 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC1CC(F)(F)C1)N(C)C ZINC001155289185 797726774 /nfs/dbraw/zinc/72/67/74/797726774.db2.gz NDFMIHGQCIRTDC-OCCSQVGLSA-N 1 3 319.440 2.199 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC[NH2+]CC1CC2(CCC2)C1 ZINC001152145303 797781293 /nfs/dbraw/zinc/78/12/93/797781293.db2.gz ADOLNRUNWLVIPC-GASCZTMLSA-N 1 3 307.482 2.145 20 0 DEADHO [NH3+]C1CCN(c2cccc(NCCc3cccc(O)c3)n2)CC1 ZINC001155866066 797870192 /nfs/dbraw/zinc/87/01/92/797870192.db2.gz FROSOSMRSIMVBH-UHFFFAOYSA-N 1 3 312.417 2.369 20 0 DEADHO CCN(C)[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CCF)c1ccccc1 ZINC001156318550 797973410 /nfs/dbraw/zinc/97/34/10/797973410.db2.gz DQACRIKQXGNPFQ-WBVHZDCISA-N 1 3 323.456 2.476 20 0 DEADHO CCN(C)[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCF)c1ccccc1 ZINC001156318550 797973414 /nfs/dbraw/zinc/97/34/14/797973414.db2.gz DQACRIKQXGNPFQ-WBVHZDCISA-N 1 3 323.456 2.476 20 0 DEADHO C[C@H](c1ccccc1)N1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197037687 798141062 /nfs/dbraw/zinc/14/10/62/798141062.db2.gz QGQRSQUTTFPKLB-MRXNPFEDSA-N 1 3 303.450 2.234 20 0 DEADHO CC[N@H+](Cc1ccc(F)cc1)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157109293 798144964 /nfs/dbraw/zinc/14/49/64/798144964.db2.gz LSFYTEMXVVKALQ-OAHLLOKOSA-N 1 3 323.456 2.493 20 0 DEADHO CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157109293 798144967 /nfs/dbraw/zinc/14/49/67/798144967.db2.gz LSFYTEMXVVKALQ-OAHLLOKOSA-N 1 3 323.456 2.493 20 0 DEADHO CC[NH+](CC)[C@@H](C(=O)N1CCCN(CC2CC2)CC1)C(C)C ZINC001197484680 798194172 /nfs/dbraw/zinc/19/41/72/798194172.db2.gz HZIMGMVLLQJTGX-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@H]1CCC[C@H](c2ccccc2)N1 ZINC001157842861 798291602 /nfs/dbraw/zinc/29/16/02/798291602.db2.gz NFWVBFJETPUKNG-BZZMCLGOSA-N 1 3 315.461 2.456 20 0 DEADHO CC[C@@H](F)C[NH2+]C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001203904455 798330766 /nfs/dbraw/zinc/33/07/66/798330766.db2.gz WWXVJOCPDAOIFY-ZBFHGGJFSA-N 1 3 313.461 2.190 20 0 DEADHO CCCCN[C@@H](CNC(=O)CC[NH+](C)C)c1ccccc1OC ZINC001198885120 798413738 /nfs/dbraw/zinc/41/37/38/798413738.db2.gz AZODHDGZKKWUCR-INIZCTEOSA-N 1 3 321.465 2.194 20 0 DEADHO Cc1ccccc1C[NH2+]C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001203925096 798433087 /nfs/dbraw/zinc/43/30/87/798433087.db2.gz KLCTWPFOPKQQIG-UHFFFAOYSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1nc(N(C)C)cc(N2CCC3(CC2)[NH2+]Cc2ccccc23)n1 ZINC001159026722 798508643 /nfs/dbraw/zinc/50/86/43/798508643.db2.gz XMYUFQFCQZSRKS-UHFFFAOYSA-N 1 3 323.444 2.450 20 0 DEADHO CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001199788255 798538595 /nfs/dbraw/zinc/53/85/95/798538595.db2.gz NHEXHKSSKSBNSF-FUTAKVPZSA-N 1 3 307.482 2.408 20 0 DEADHO C[C@H]([NH2+]CCCNC(=O)C1(N(C)C)CCC1)c1ccccc1 ZINC001159861295 798619568 /nfs/dbraw/zinc/61/95/68/798619568.db2.gz LSLFSTLVHIWHHL-HNNXBMFYSA-N 1 3 303.450 2.328 20 0 DEADHO CC[C@H](C(=O)NCCC1=CC[N@H+](CC2CCC2)CC1)N(C)C ZINC001160478997 798694664 /nfs/dbraw/zinc/69/46/64/798694664.db2.gz IFCHGKZTHMJINR-QGZVFWFLSA-N 1 3 307.482 2.265 20 0 DEADHO CC[C@H](C(=O)NCCC1=CC[N@@H+](CC2CCC2)CC1)N(C)C ZINC001160478997 798694666 /nfs/dbraw/zinc/69/46/66/798694666.db2.gz IFCHGKZTHMJINR-QGZVFWFLSA-N 1 3 307.482 2.265 20 0 DEADHO CCC(CC)C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001201053488 798711347 /nfs/dbraw/zinc/71/13/47/798711347.db2.gz QNXAQCYJZLQPQU-QGZVFWFLSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+]Cc1cc(C)cc(C)c1)N(C)C ZINC001160883460 798755195 /nfs/dbraw/zinc/75/51/95/798755195.db2.gz NKXWFZXFRYSZKE-QGZVFWFLSA-N 1 3 305.466 2.240 20 0 DEADHO CCC[C@H]([NH3+])C(=O)N(C)[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001160956025 798770388 /nfs/dbraw/zinc/77/03/88/798770388.db2.gz KLKMWHCWAQCVEN-SZMVWBNQSA-N 1 3 317.477 2.483 20 0 DEADHO C[NH2+]C(C)(C)C(=O)N(C)[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001160958244 798771328 /nfs/dbraw/zinc/77/13/28/798771328.db2.gz YLKKKVIJHBLQIM-RDJZCZTQSA-N 1 3 317.477 2.353 20 0 DEADHO CN(Cc1ccc(-n2c(C[NH3+])cc3ccncc32)nc1)C1CC1 ZINC001160962940 798771718 /nfs/dbraw/zinc/77/17/18/798771718.db2.gz PDGPZWUVKNGTPH-UHFFFAOYSA-N 1 3 307.401 2.473 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@H+](CCCC4CCC4)C[C@H]32)CCC1 ZINC001114406747 799090725 /nfs/dbraw/zinc/09/07/25/799090725.db2.gz KHTOGJWVAYXHBD-FVQHAEBGSA-N 1 3 319.493 2.097 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCC4CCC4)C[C@H]32)CCC1 ZINC001114406747 799090732 /nfs/dbraw/zinc/09/07/32/799090732.db2.gz KHTOGJWVAYXHBD-FVQHAEBGSA-N 1 3 319.493 2.097 20 0 DEADHO NCc1ccnn1-c1ccc2[nH]cc(CC[NH+]3CCCC3)c2c1 ZINC001162593358 799126286 /nfs/dbraw/zinc/12/62/86/799126286.db2.gz JAWYWJIXLFETJD-UHFFFAOYSA-N 1 3 309.417 2.451 20 0 DEADHO CC1CCN(CC(=O)N2CCC(C[NH2+]CCC3CC3)CC2)CC1 ZINC001206679723 799203980 /nfs/dbraw/zinc/20/39/80/799203980.db2.gz OSHBGPHJBBMZON-UHFFFAOYSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@@H]1CCCCN1c1cccc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)n1 ZINC001163102221 799246296 /nfs/dbraw/zinc/24/62/96/799246296.db2.gz NCPKKLYBRLSOAW-KLHDSHLOSA-N 1 3 316.449 2.107 20 0 DEADHO C[C@H]1CCCCN1c1cccc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)n1 ZINC001163102223 799246462 /nfs/dbraw/zinc/24/64/62/799246462.db2.gz NCPKKLYBRLSOAW-ZJIFWQFVSA-N 1 3 316.449 2.107 20 0 DEADHO C(C1CCCC1)[N@@H+]1CCO[C@@H]2CN(CC3CCOCC3)C[C@@H]2C1 ZINC001202579662 799277449 /nfs/dbraw/zinc/27/74/49/799277449.db2.gz ZJNZZGYTZHNZNQ-RBUKOAKNSA-N 1 3 322.493 2.236 20 0 DEADHO C(C1CCCC1)[N@H+]1CCO[C@@H]2CN(CC3CCOCC3)C[C@@H]2C1 ZINC001202579662 799277451 /nfs/dbraw/zinc/27/74/51/799277451.db2.gz ZJNZZGYTZHNZNQ-RBUKOAKNSA-N 1 3 322.493 2.236 20 0 DEADHO C(C1CCCC1)N1CCO[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]2C1 ZINC001202579662 799277454 /nfs/dbraw/zinc/27/74/54/799277454.db2.gz ZJNZZGYTZHNZNQ-RBUKOAKNSA-N 1 3 322.493 2.236 20 0 DEADHO C(C1CCCC1)N1CCO[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2C1 ZINC001202579662 799277459 /nfs/dbraw/zinc/27/74/59/799277459.db2.gz ZJNZZGYTZHNZNQ-RBUKOAKNSA-N 1 3 322.493 2.236 20 0 DEADHO c1cc(N[C@H]2CCCC[C@@]23CNCCO3)ncc1[C@H]1CCC[NH2+]1 ZINC001163646647 799394935 /nfs/dbraw/zinc/39/49/35/799394935.db2.gz VGUAEAHNHFDNDU-SOLBZPMBSA-N 1 3 316.449 2.219 20 0 DEADHO COC(=O)c1ccc(NCC2(N(C)C)CC[NH+](C)CC2)c(C)c1 ZINC001164210706 799539625 /nfs/dbraw/zinc/53/96/25/799539625.db2.gz GWAQRXGARIAHCG-UHFFFAOYSA-N 1 3 319.449 2.220 20 0 DEADHO CN(C)C1(CNc2cnc3ccn(C)c3c2)CC[NH+](C)CC1 ZINC001164212841 799540957 /nfs/dbraw/zinc/54/09/57/799540957.db2.gz GNNLVZHDWITCPH-UHFFFAOYSA-N 1 3 301.438 2.011 20 0 DEADHO Cc1nc(N2CCCC2)cc(N2CCC3(CC([NH3+])C3)CC2)n1 ZINC001165242764 799683542 /nfs/dbraw/zinc/68/35/42/799683542.db2.gz DIZJMIGMKKZHLF-UHFFFAOYSA-N 1 3 301.438 2.093 20 0 DEADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CC1)C12CCCN1CCC2 ZINC001095684396 799694664 /nfs/dbraw/zinc/69/46/64/799694664.db2.gz CIFNUPBOXMPAOA-IKGGRYGDSA-N 1 3 317.477 2.136 20 0 DEADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1)C12CCCN1CCC2 ZINC001095684396 799694667 /nfs/dbraw/zinc/69/46/67/799694667.db2.gz CIFNUPBOXMPAOA-IKGGRYGDSA-N 1 3 317.477 2.136 20 0 DEADHO CC[C@H](F)C[NH2+]CC1(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001165464432 799734506 /nfs/dbraw/zinc/73/45/06/799734506.db2.gz DJNNMNQNPUNXLO-AWEZNQCLSA-N 1 3 313.461 2.095 20 0 DEADHO CC(C)CC[NH2+]CC1(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001165465053 799735033 /nfs/dbraw/zinc/73/50/33/799735033.db2.gz RLHUUDCXQODGJF-UHFFFAOYSA-N 1 3 309.498 2.393 20 0 DEADHO Cc1ccccc1C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166626789 799904112 /nfs/dbraw/zinc/90/41/12/799904112.db2.gz JHDKAKDYMOPRCJ-INIZCTEOSA-N 1 3 303.450 2.075 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CCC1=CCCCC1 ZINC001166626813 799904609 /nfs/dbraw/zinc/90/46/09/799904609.db2.gz JYDHYGYVZNCLJN-MRXNPFEDSA-N 1 3 307.482 2.457 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CC1CC2(CCC2)C1 ZINC001166626132 799904916 /nfs/dbraw/zinc/90/49/16/799904916.db2.gz BGRZWQZLPQASBO-OAHLLOKOSA-N 1 3 307.482 2.147 20 0 DEADHO Cc1cc(C[NH2+]CCCNC(=O)CN2CC[C@@H](C)C2)c(C)s1 ZINC001166676711 799917791 /nfs/dbraw/zinc/91/77/91/799917791.db2.gz BPKJOUDVRMNXBK-CYBMUJFWSA-N 1 3 323.506 2.303 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CCCCC(F)(F)F)C1 ZINC001166677730 799918274 /nfs/dbraw/zinc/91/82/74/799918274.db2.gz MDMXTUJDYUBQPT-ZDUSSCGKSA-N 1 3 323.403 2.157 20 0 DEADHO CN(CC(=O)NCCC[NH2+]CCCCCF)CC(C)(C)C ZINC001166744052 799937901 /nfs/dbraw/zinc/93/79/01/799937901.db2.gz FRBAOMWBZTYHOJ-UHFFFAOYSA-N 1 3 303.466 2.200 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1cc(C)sc1C)N(C)C ZINC001166851865 799965833 /nfs/dbraw/zinc/96/58/33/799965833.db2.gz JGCFHELTSQOFMI-HNNXBMFYSA-N 1 3 311.495 2.301 20 0 DEADHO CCN(CC)CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC2)C12CCC2 ZINC001203522646 800069453 /nfs/dbraw/zinc/06/94/53/800069453.db2.gz NRTKNICLWSMURH-CVEARBPZSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CC2)C12CCC2 ZINC001203791479 800123644 /nfs/dbraw/zinc/12/36/44/800123644.db2.gz IZIKOVCAAHCIAO-CVEARBPZSA-N 1 3 307.482 2.144 20 0 DEADHO COC(=O)c1cccc2c(CN3CCC[C@@H]([NH3+])CC3)c[nH]c21 ZINC001205117967 800299639 /nfs/dbraw/zinc/29/96/39/800299639.db2.gz ZTQWASMHSRXFLV-CYBMUJFWSA-N 1 3 301.390 2.268 20 0 DEADHO C[C@]1([NH3+])CCCN(Cc2ccc(CN3CCOCC3)cc2)CC1 ZINC001205263888 800333628 /nfs/dbraw/zinc/33/36/28/800333628.db2.gz FDNKLFDQSLJQGW-IBGZPJMESA-N 1 3 317.477 2.222 20 0 DEADHO [NH3+]C[C@@]1(F)CCCN(Cc2ccc(OC(F)F)nc2)CC1 ZINC001205581960 800380949 /nfs/dbraw/zinc/38/09/49/800380949.db2.gz VTZBAZQGXCXADO-CQSZACIVSA-N 1 3 303.328 2.336 20 0 DEADHO C[C@H]1CC[N@H+](Cc2ccc([O-])c3[nH]c(=O)ccc23)CC[C@@H]1C[NH3+] ZINC001205637503 800391116 /nfs/dbraw/zinc/39/11/16/800391116.db2.gz HOZIXAQCYBHBBL-QWHCGFSZSA-N 1 3 315.417 2.453 20 0 DEADHO C[C@H]1CC[N@@H+](Cc2ccc([O-])c3[nH]c(=O)ccc23)CC[C@@H]1C[NH3+] ZINC001205637503 800391122 /nfs/dbraw/zinc/39/11/22/800391122.db2.gz HOZIXAQCYBHBBL-QWHCGFSZSA-N 1 3 315.417 2.453 20 0 DEADHO c1cc(-c2ccc3c(c2)COC32CNC2)cc(N2CC[NH2+]CC2)c1 ZINC001205936142 800446777 /nfs/dbraw/zinc/44/67/77/800446777.db2.gz DNXIHFZLZDURFU-UHFFFAOYSA-N 1 3 321.424 2.092 20 0 DEADHO N[C@@H]1CC[N@H+](C[C@@H]2CCN(Cc3ccccc3)C2)CC[C@H]1F ZINC001206157192 800481398 /nfs/dbraw/zinc/48/13/98/800481398.db2.gz XELPLSDDYQSYQG-RCCFBDPRSA-N 1 3 305.441 2.270 20 0 DEADHO N[C@@H]1CC[N@@H+](C[C@@H]2CCN(Cc3ccccc3)C2)CC[C@H]1F ZINC001206157192 800481403 /nfs/dbraw/zinc/48/14/03/800481403.db2.gz XELPLSDDYQSYQG-RCCFBDPRSA-N 1 3 305.441 2.270 20 0 DEADHO CC/C=C\CC[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001206404299 800526571 /nfs/dbraw/zinc/52/65/71/800526571.db2.gz YCRXRKRZTXDBPW-ARJAWSKDSA-N 1 3 304.438 2.137 20 0 DEADHO OC[C@@]1(F)CCN(CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207287280 800723398 /nfs/dbraw/zinc/72/33/98/800723398.db2.gz RTCFRNBSZCFLIP-GOSISDBHSA-N 1 3 306.425 2.305 20 0 DEADHO C[NH+]1CCC(CN2CCC[C@H]2C(=O)Nc2ccccc2)CC1 ZINC001207401583 800744465 /nfs/dbraw/zinc/74/44/65/800744465.db2.gz PEHXUPINHCVBQE-KRWDZBQOSA-N 1 3 301.434 2.431 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000935797198 800772263 /nfs/dbraw/zinc/77/22/63/800772263.db2.gz NLRPKCYGPIJYKI-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)CC[N@@H+]1C[C@@H]2CCC[C@@H](N(C)Cc3ccccn3)[C@H]2C1 ZINC001208125898 800917788 /nfs/dbraw/zinc/91/77/88/800917788.db2.gz ASIIBJMFLWRJFM-YTQUADARSA-N 1 3 316.493 2.176 20 0 DEADHO CN(C)CC[N@H+]1C[C@@H]2CCC[C@@H](N(C)Cc3ccccn3)[C@H]2C1 ZINC001208125898 800917789 /nfs/dbraw/zinc/91/77/89/800917789.db2.gz ASIIBJMFLWRJFM-YTQUADARSA-N 1 3 316.493 2.176 20 0 DEADHO Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3C[C@@H]3CCC[N@@H+](C)C3)O2)n1 ZINC001208611088 801034231 /nfs/dbraw/zinc/03/42/31/801034231.db2.gz UMRJPHVZHUDAKR-KLHDSHLOSA-N 1 3 320.437 2.014 20 0 DEADHO Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3C[C@@H]3CCC[N@H+](C)C3)O2)n1 ZINC001208611088 801034235 /nfs/dbraw/zinc/03/42/35/801034235.db2.gz UMRJPHVZHUDAKR-KLHDSHLOSA-N 1 3 320.437 2.014 20 0 DEADHO COC(=O)[C@@H]1CCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208941737 801098648 /nfs/dbraw/zinc/09/86/48/801098648.db2.gz MYVXPOWYDJNOHQ-IAGOWNOFSA-N 1 3 302.418 2.003 20 0 DEADHO COC(=O)[C@@H]1CCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208941737 801098652 /nfs/dbraw/zinc/09/86/52/801098652.db2.gz MYVXPOWYDJNOHQ-IAGOWNOFSA-N 1 3 302.418 2.003 20 0 DEADHO CN(C1CC1)C1CC[NH+](CC2CCC3(CC2)OCCO3)CC1 ZINC001209104181 801129087 /nfs/dbraw/zinc/12/90/87/801129087.db2.gz XAJRELQHXLOAPC-UHFFFAOYSA-N 1 3 308.466 2.478 20 0 DEADHO CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001209633212 801240416 /nfs/dbraw/zinc/24/04/16/801240416.db2.gz SQDWLLDIMWFDSA-XPQDNOAISA-N 1 3 307.482 2.408 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001209633447 801240830 /nfs/dbraw/zinc/24/08/30/801240830.db2.gz VIFXOPRPGYMAKJ-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](F)C[NH2+][C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209661653 801249533 /nfs/dbraw/zinc/24/95/33/801249533.db2.gz YQMDNHAUPUKUTL-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO CC[N@H+](Cc1cnccc1N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001209737283 801270541 /nfs/dbraw/zinc/27/05/41/801270541.db2.gz JIDSTUBMXBIVAT-AWEZNQCLSA-N 1 3 320.437 2.325 20 0 DEADHO CC[N@@H+](Cc1cnccc1N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001209737283 801270543 /nfs/dbraw/zinc/27/05/43/801270543.db2.gz JIDSTUBMXBIVAT-AWEZNQCLSA-N 1 3 320.437 2.325 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(F)(F)F ZINC001229868986 801330362 /nfs/dbraw/zinc/33/03/62/801330362.db2.gz SMNJMIXCPFUVCM-CHWSQXEVSA-N 1 3 323.403 2.298 20 0 DEADHO CCCN(C)CC(=O)NC1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001230101604 801361061 /nfs/dbraw/zinc/36/10/61/801361061.db2.gz UNGGVWDKHFANBA-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO CC[C@H](F)C[NH2+][C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001210282984 801367404 /nfs/dbraw/zinc/36/74/04/801367404.db2.gz LPNRRRKPFUNAIM-HOTGVXAUSA-N 1 3 313.461 2.047 20 0 DEADHO COc1c[nH+]ccc1Nc1cc(F)ccc1N1CCN(C)CC1 ZINC001211260542 801539184 /nfs/dbraw/zinc/53/91/84/801539184.db2.gz NKGGKHNRYXGERN-UHFFFAOYSA-N 1 3 316.380 2.147 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@H]2CCCCN2C)C1 ZINC001211319804 801547022 /nfs/dbraw/zinc/54/70/22/801547022.db2.gz FHTNOHGFDQSCMW-IXDOHACOSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC[C@H]2CCCCN2C)C1 ZINC001211319804 801547028 /nfs/dbraw/zinc/54/70/28/801547028.db2.gz FHTNOHGFDQSCMW-IXDOHACOSA-N 1 3 324.513 2.138 20 0 DEADHO CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C1 ZINC001211377295 801557846 /nfs/dbraw/zinc/55/78/46/801557846.db2.gz WHHPCLBRJLNGOJ-BRWVUGGUSA-N 1 3 309.498 2.343 20 0 DEADHO CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C1 ZINC001211377295 801557852 /nfs/dbraw/zinc/55/78/52/801557852.db2.gz WHHPCLBRJLNGOJ-BRWVUGGUSA-N 1 3 309.498 2.343 20 0 DEADHO CC/C=C/CC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847393 801765328 /nfs/dbraw/zinc/76/53/28/801765328.db2.gz DCNUGDHCQZQIER-YCZSJOHXSA-N 1 3 307.482 2.264 20 0 DEADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCC(C)(C)C ZINC001214855315 801766892 /nfs/dbraw/zinc/76/68/92/801766892.db2.gz BXYKCRHBZIMPKO-BMFZPTHFSA-N 1 3 309.498 2.199 20 0 DEADHO COC(=O)[C@@]1(C)CCN(Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232152257 801800291 /nfs/dbraw/zinc/80/02/91/801800291.db2.gz WCIGZCVFFSVOIP-KRWDZBQOSA-N 1 3 308.397 2.272 20 0 DEADHO CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001215681339 801893666 /nfs/dbraw/zinc/89/36/66/801893666.db2.gz VUBXTPBTBWUWOL-KRHNWMDASA-N 1 3 304.438 2.135 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001216498954 801980215 /nfs/dbraw/zinc/98/02/15/801980215.db2.gz BFIAPHKJTJSCHO-SJLPKXTDSA-N 1 3 317.477 2.273 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCC2)C1 ZINC001216852371 802033797 /nfs/dbraw/zinc/03/37/97/802033797.db2.gz WRWKURAJINFJCF-NVXWUHKLSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]([NH3+])c1cccc(-c2nc(-c3ccc4c(n3)CCNC4)no2)c1 ZINC001217099058 802045045 /nfs/dbraw/zinc/04/50/45/802045045.db2.gz USICPRLOEHHWOJ-LLVKDONJSA-N 1 3 321.384 2.464 20 0 DEADHO Cc1noc2nc(O[C@@H]3CC[N@@H+](C(C)C)C3)c3c(c12)CCNC3 ZINC001218293114 802164919 /nfs/dbraw/zinc/16/49/19/802164919.db2.gz WKUMBGJZLGQQML-GFCCVEGCSA-N 1 3 316.405 2.038 20 0 DEADHO Cc1noc2nc(O[C@@H]3CC[N@H+](C(C)C)C3)c3c(c12)CCNC3 ZINC001218293114 802164925 /nfs/dbraw/zinc/16/49/25/802164925.db2.gz WKUMBGJZLGQQML-GFCCVEGCSA-N 1 3 316.405 2.038 20 0 DEADHO Cc1cc(NC(=O)[C@H](N)C2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC001218896970 802255383 /nfs/dbraw/zinc/25/53/83/802255383.db2.gz DTZMJBHAJXUHDE-CYBMUJFWSA-N 1 3 315.339 2.279 20 0 DEADHO O=C(Nc1ccccc1Cc1ccccc1)[C@H]1C[NH2+]CC12CNC2 ZINC001218948414 802264240 /nfs/dbraw/zinc/26/42/40/802264240.db2.gz OOXICZVVTDBWLD-QGZVFWFLSA-N 1 3 321.424 2.025 20 0 DEADHO CC(C)C1(C(=O)Nc2ccc3c(c2)CNCCO3)CC[NH2+]CC1 ZINC001219027791 802274305 /nfs/dbraw/zinc/27/43/05/802274305.db2.gz BPNBBPCJMSYMDG-UHFFFAOYSA-N 1 3 317.433 2.133 20 0 DEADHO N[C@@H](C(=O)Nc1cccc2c(Cl)ccnc12)C1CC[NH2+]CC1 ZINC001219114643 802284315 /nfs/dbraw/zinc/28/43/15/802284315.db2.gz LMUWHQVPIKUMTF-CQSZACIVSA-N 1 3 318.808 2.154 20 0 DEADHO C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H](c3ccccc3)N2)C[NH2+]1 ZINC001219587190 802350690 /nfs/dbraw/zinc/35/06/90/802350690.db2.gz VDHUGJFXRVNSGZ-HJWJTTGWSA-N 1 3 301.434 2.127 20 0 DEADHO CN(C[C@@H]1CCN1CC1CC1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001234346368 802358029 /nfs/dbraw/zinc/35/80/29/802358029.db2.gz UFKODFFMBLRKKP-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO CCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001234402904 802369584 /nfs/dbraw/zinc/36/95/84/802369584.db2.gz NUTIZHBMFIHLMD-IXDOHACOSA-N 1 3 309.498 2.440 20 0 DEADHO CCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001234402904 802369594 /nfs/dbraw/zinc/36/95/94/802369594.db2.gz NUTIZHBMFIHLMD-IXDOHACOSA-N 1 3 309.498 2.440 20 0 DEADHO O=C(N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1)c1csc2c1CCNC2 ZINC001220167010 802418932 /nfs/dbraw/zinc/41/89/32/802418932.db2.gz JJGXLLIMPRYNKY-YVEFUNNKSA-N 1 3 319.474 2.046 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@H]1CCC[C@@H](c2ccccc2)N1 ZINC001220254678 802432854 /nfs/dbraw/zinc/43/28/54/802432854.db2.gz URWYODDJEYHVPP-FGTMMUONSA-N 1 3 315.461 2.470 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCNC(=O)[C@H]1CCC[C@@H](c2ccccc2)N1 ZINC001220254678 802432858 /nfs/dbraw/zinc/43/28/58/802432858.db2.gz URWYODDJEYHVPP-FGTMMUONSA-N 1 3 315.461 2.470 20 0 DEADHO CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001221793461 802616086 /nfs/dbraw/zinc/61/60/86/802616086.db2.gz CQZBCPNIHNZORT-BRWVUGGUSA-N 1 3 309.498 2.296 20 0 DEADHO CCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001221793461 802616089 /nfs/dbraw/zinc/61/60/89/802616089.db2.gz CQZBCPNIHNZORT-BRWVUGGUSA-N 1 3 309.498 2.296 20 0 DEADHO Fc1ccc(CCN2CCNC3(CC[NH2+]CC3)C2)c(Cl)c1 ZINC001222085665 802639584 /nfs/dbraw/zinc/63/95/84/802639584.db2.gz HIXUVKOLOBMZEJ-UHFFFAOYSA-N 1 3 311.832 2.049 20 0 DEADHO Fc1ccc(CCCN2CC[NH2+]C[C@]3(CCCCN3)C2)cc1 ZINC001222666335 802723985 /nfs/dbraw/zinc/72/39/85/802723985.db2.gz BACJGFZERFWPPE-GOSISDBHSA-N 1 3 305.441 2.176 20 0 DEADHO Fc1ccc(CCC[N@@H+]2CCNC[C@]3(CCCCN3)C2)cc1 ZINC001222666335 802723987 /nfs/dbraw/zinc/72/39/87/802723987.db2.gz BACJGFZERFWPPE-GOSISDBHSA-N 1 3 305.441 2.176 20 0 DEADHO Fc1ccc(CCC[N@H+]2CCNC[C@]3(CCCCN3)C2)cc1 ZINC001222666335 802723991 /nfs/dbraw/zinc/72/39/91/802723991.db2.gz BACJGFZERFWPPE-GOSISDBHSA-N 1 3 305.441 2.176 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]2CC[N@H+](CC3CC3)[C@H]2C1)N(CC)CC ZINC001223489514 802795285 /nfs/dbraw/zinc/79/52/85/802795285.db2.gz QETFCPDMWHOWLV-KURKYZTESA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CC3CC3)[C@H]2C1)N(CC)CC ZINC001223489514 802795288 /nfs/dbraw/zinc/79/52/88/802795288.db2.gz QETFCPDMWHOWLV-KURKYZTESA-N 1 3 321.509 2.440 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCC1CC[NH+](CCC2CC2)CC1 ZINC001224538555 802880932 /nfs/dbraw/zinc/88/09/32/802880932.db2.gz XYXRDALZLMUHAJ-HNNXBMFYSA-N 1 3 307.482 2.099 20 0 DEADHO CCN(CC)CC(=O)NCC1CC[NH+](CC2CCCC2)CC1 ZINC001224895733 802914967 /nfs/dbraw/zinc/91/49/67/802914967.db2.gz ZZPLEFLVMXCPIJ-UHFFFAOYSA-N 1 3 309.498 2.347 20 0 DEADHO Cc1cc(CN2CCC(NC(=O)CCC[NH+](C)C)CC2)cs1 ZINC001228904446 803428083 /nfs/dbraw/zinc/42/80/83/803428083.db2.gz GONNJHVYTVPZJD-UHFFFAOYSA-N 1 3 323.506 2.479 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC12CC[NH+](CCC1CC1)CC2)N(C)C ZINC001417951591 1167322624 /nfs/dbraw/zinc/32/26/24/1167322624.db2.gz BVSCYLJCQWAANC-HOTGVXAUSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)(C(=O)NC[C@H]([NH2+]C/C=C/Cl)C1CC1)N1CCCC1 ZINC001417993202 1167350806 /nfs/dbraw/zinc/35/08/06/1167350806.db2.gz QHPRPIGENGTJTN-GPAKFWEMSA-N 1 3 313.873 2.098 20 0 DEADHO C[C@H](CCC[NH2+]CC1CCCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001330917514 1149333286 /nfs/dbraw/zinc/33/32/86/1149333286.db2.gz QNXAWEZZSLHZNK-HZPDHXFCSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC12CC[NH+](CC1CCC1)CC2)N(C)C ZINC001370077213 1149379994 /nfs/dbraw/zinc/37/99/94/1149379994.db2.gz GWAZORBGUDNHFF-DLBZAZTESA-N 1 3 321.509 2.343 20 0 DEADHO C[C@H](NC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+])C1=CCN(C)CC1 ZINC001335510220 1150439395 /nfs/dbraw/zinc/43/93/95/1150439395.db2.gz QQXPNDLLENMCBG-HLLBOEOZSA-N 1 3 322.497 2.186 20 0 DEADHO CN(C/C=C\Cl)C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001370301674 1149502612 /nfs/dbraw/zinc/50/26/12/1149502612.db2.gz HHVWSBDUOFITEP-WUKHSURWSA-N 1 3 315.889 2.251 20 0 DEADHO C[NH+](C)CCC(=O)N1CCC[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC001368377761 1148428751 /nfs/dbraw/zinc/42/87/51/1148428751.db2.gz CESIRQYFDUZFEY-JKSUJKDBSA-N 1 3 321.490 2.123 20 0 DEADHO CC[N@@H+]1CCc2c(CNC(=O)CN(C)C(C)C)cccc2C1 ZINC001368446106 1148447912 /nfs/dbraw/zinc/44/79/12/1148447912.db2.gz HRUSAQIIEHGIQB-UHFFFAOYSA-N 1 3 303.450 2.021 20 0 DEADHO CC[N@H+]1CCc2c(CNC(=O)CN(C)C(C)C)cccc2C1 ZINC001368446106 1148447915 /nfs/dbraw/zinc/44/79/15/1148447915.db2.gz HRUSAQIIEHGIQB-UHFFFAOYSA-N 1 3 303.450 2.021 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@H]1CC[N@H+](C/C=C\Cl)C1)N(C)C ZINC001404511317 1163691296 /nfs/dbraw/zinc/69/12/96/1163691296.db2.gz ITXSFYLWNVBKLP-DNWYELSFSA-N 1 3 315.889 2.153 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@H]1CC[N@@H+](C/C=C\Cl)C1)N(C)C ZINC001404511317 1163691298 /nfs/dbraw/zinc/69/12/98/1163691298.db2.gz ITXSFYLWNVBKLP-DNWYELSFSA-N 1 3 315.889 2.153 20 0 DEADHO CC(C)CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001404594886 1163735013 /nfs/dbraw/zinc/73/50/13/1163735013.db2.gz PTQAAULSNQRNMY-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001404594886 1163735020 /nfs/dbraw/zinc/73/50/20/1163735020.db2.gz PTQAAULSNQRNMY-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC001575125574 1069372436 /nfs/dbraw/zinc/37/24/36/1069372436.db2.gz NHHDBWDGVVGNBY-AWEZNQCLSA-N 1 3 309.498 2.343 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCCC3)C2)CCC1 ZINC001368479489 1148461985 /nfs/dbraw/zinc/46/19/85/1148461985.db2.gz HQPRPDFIROLDIH-IYBDPMFKSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1)N(C)C ZINC001368495941 1148467471 /nfs/dbraw/zinc/46/74/71/1148467471.db2.gz PCIBAPLZVSNYIG-IXDOHACOSA-N 1 3 309.498 2.247 20 0 DEADHO CCC[NH+]1CC([C@@H](C)NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001369088206 1148846366 /nfs/dbraw/zinc/84/63/66/1148846366.db2.gz HPWUMDZTRVFTRN-DYVFJYSZSA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)[NH+]1CCC(C)(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001500461850 1058804263 /nfs/dbraw/zinc/80/42/63/1058804263.db2.gz BKZMPLVUPRYQEZ-HOTGVXAUSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001501173370 1059349108 /nfs/dbraw/zinc/34/91/08/1059349108.db2.gz CYZIATIBRUHOCB-BCDXTJNWSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001501173370 1059349131 /nfs/dbraw/zinc/34/91/31/1059349131.db2.gz CYZIATIBRUHOCB-BCDXTJNWSA-N 1 3 321.509 2.486 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001501229886 1059395235 /nfs/dbraw/zinc/39/52/35/1059395235.db2.gz KXMKDTDDFSBVBS-OCXQYPQTSA-N 1 3 321.509 2.319 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001501229886 1059395255 /nfs/dbraw/zinc/39/52/55/1059395255.db2.gz KXMKDTDDFSBVBS-OCXQYPQTSA-N 1 3 321.509 2.319 20 0 DEADHO CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC)N(CC)CC)[C@@H]2C1 ZINC001501422424 1059500941 /nfs/dbraw/zinc/50/09/41/1059500941.db2.gz PHPHKFPJNXHICW-GVDBMIGSSA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC)N(CC)CC)[C@@H]2C1 ZINC001501422424 1059500960 /nfs/dbraw/zinc/50/09/60/1059500960.db2.gz PHPHKFPJNXHICW-GVDBMIGSSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001505434715 1060592278 /nfs/dbraw/zinc/59/22/78/1060592278.db2.gz XFGHGAMJWYYYKJ-IRXDYDNUSA-N 1 3 309.498 2.462 20 0 DEADHO CC(C)=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001505434715 1060592292 /nfs/dbraw/zinc/59/22/92/1060592292.db2.gz XFGHGAMJWYYYKJ-IRXDYDNUSA-N 1 3 309.498 2.462 20 0 DEADHO O[C@@H](CC1CCCC1)CN1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001473877618 1060748501 /nfs/dbraw/zinc/74/85/01/1060748501.db2.gz WBXRXTHFFRLAEZ-SFHVURJKSA-N 1 3 324.509 2.240 20 0 DEADHO COCC[NH+]1CCC(NC/C=C\c2ccccc2OC)CC1 ZINC001473959731 1060780017 /nfs/dbraw/zinc/78/00/17/1060780017.db2.gz CHNKZPYCPKNCLE-ALCCZGGFSA-N 1 3 304.434 2.409 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC001505736778 1060916028 /nfs/dbraw/zinc/91/60/28/1060916028.db2.gz WHAWWWKNLFJDCD-ZIAGYGMSSA-N 1 3 309.429 2.150 20 0 DEADHO CCN(C(=O)CNCC1CC[NH+](CC)CC1)c1ccccc1 ZINC001474709939 1060919433 /nfs/dbraw/zinc/91/94/33/1060919433.db2.gz OWMQQZABUXGIHF-UHFFFAOYSA-N 1 3 303.450 2.361 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccsc3)C2)C1 ZINC001479320491 1061390998 /nfs/dbraw/zinc/39/09/98/1061390998.db2.gz FHHKDHSVKQXHCW-CWRNSKLLSA-N 1 3 321.490 2.074 20 0 DEADHO CC(C)[C@H](CCN(C)C(=O)[C@@H]1CCCN1C)[NH2+]C/C=C/Cl ZINC001506159930 1061697645 /nfs/dbraw/zinc/69/76/45/1061697645.db2.gz UCMIWOUJEQTBRP-AOEIMKSNSA-N 1 3 315.889 2.296 20 0 DEADHO CC[C@@H](F)CN(CC)CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001479852382 1061913167 /nfs/dbraw/zinc/91/31/67/1061913167.db2.gz HFMJIRDUGZHKKY-HRCADAONSA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@@H](F)CN(CC)CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001479852382 1061913183 /nfs/dbraw/zinc/91/31/83/1061913183.db2.gz HFMJIRDUGZHKKY-HRCADAONSA-N 1 3 315.477 2.293 20 0 DEADHO C[C@H](NC(=O)CN(C)C1CCC1)C1C[NH+](CCCC2CCC2)C1 ZINC001506625578 1062208176 /nfs/dbraw/zinc/20/81/76/1062208176.db2.gz CQYWTKNTEQVGLD-HNNXBMFYSA-N 1 3 321.509 2.488 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H](NC/C=C\Cl)C2)C1 ZINC001480115338 1062340524 /nfs/dbraw/zinc/34/05/24/1062340524.db2.gz SKRRZYDWZOYLIW-JBLNNTITSA-N 1 3 313.873 2.051 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H](NC/C=C\Cl)C2)C1 ZINC001480115338 1062340550 /nfs/dbraw/zinc/34/05/50/1062340550.db2.gz SKRRZYDWZOYLIW-JBLNNTITSA-N 1 3 313.873 2.051 20 0 DEADHO CCC(CC)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C(C)C)[C@@H]2C1 ZINC001506828297 1062414806 /nfs/dbraw/zinc/41/48/06/1062414806.db2.gz GEBIRFJLLZFKEX-OSYLJGHBSA-N 1 3 309.498 2.057 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C(C)C)[C@@H]2C1 ZINC001506828297 1062414817 /nfs/dbraw/zinc/41/48/17/1062414817.db2.gz GEBIRFJLLZFKEX-OSYLJGHBSA-N 1 3 309.498 2.057 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001480233487 1062496992 /nfs/dbraw/zinc/49/69/92/1062496992.db2.gz CONXWJISDMBROR-BHYGNILZSA-N 1 3 303.450 2.326 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[NH2+]CC[C@@H](C)F ZINC001480366640 1062719883 /nfs/dbraw/zinc/71/98/83/1062719883.db2.gz BJCTXWCFAQRATR-CABCVRRESA-N 1 3 301.450 2.045 20 0 DEADHO C[C@@H](F)CC[NH2+][C@@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001480595486 1063085623 /nfs/dbraw/zinc/08/56/23/1063085623.db2.gz BIKIAFZIPCVPKH-KGLIPLIRSA-N 1 3 309.429 2.204 20 0 DEADHO C[N@H+](CCCC1CCC1)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001480735398 1063271359 /nfs/dbraw/zinc/27/13/59/1063271359.db2.gz FNHUYVKMLXPYQU-KRWDZBQOSA-N 1 3 318.465 2.455 20 0 DEADHO C[N@@H+](CCCC1CCC1)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001480735398 1063271378 /nfs/dbraw/zinc/27/13/78/1063271378.db2.gz FNHUYVKMLXPYQU-KRWDZBQOSA-N 1 3 318.465 2.455 20 0 DEADHO CC(C)[NH2+]Cc1ccc(CNC(=O)CN(C)C2CCC2)c(F)c1 ZINC001508234980 1063624607 /nfs/dbraw/zinc/62/46/07/1063624607.db2.gz FRUFMMSHKLDUTI-UHFFFAOYSA-N 1 3 321.440 2.424 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+]CCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001493694291 1063921480 /nfs/dbraw/zinc/92/14/80/1063921480.db2.gz DAIVEUANWDIFCX-WBVHZDCISA-N 1 3 317.477 2.446 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001494056011 1064106352 /nfs/dbraw/zinc/10/63/52/1064106352.db2.gz SPAIVSYRSXPRQR-DLBZAZTESA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001494056011 1064106353 /nfs/dbraw/zinc/10/63/53/1064106353.db2.gz SPAIVSYRSXPRQR-DLBZAZTESA-N 1 3 309.498 2.203 20 0 DEADHO CCCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(CC=C(C)C)C1 ZINC001567692886 1064349024 /nfs/dbraw/zinc/34/90/24/1064349024.db2.gz HPAQBTAORQNOOH-SJORKVTESA-N 1 3 307.482 2.217 20 0 DEADHO CCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(CC=C(C)C)C1 ZINC001567692886 1064349039 /nfs/dbraw/zinc/34/90/39/1064349039.db2.gz HPAQBTAORQNOOH-SJORKVTESA-N 1 3 307.482 2.217 20 0 DEADHO CCCCC[N@H+](C)C[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001567737909 1064389829 /nfs/dbraw/zinc/38/98/29/1064389829.db2.gz KMEHTQRZYUVRLA-IAGOWNOFSA-N 1 3 309.498 2.299 20 0 DEADHO CCCCC[N@@H+](C)C[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001567737909 1064389837 /nfs/dbraw/zinc/38/98/37/1064389837.db2.gz KMEHTQRZYUVRLA-IAGOWNOFSA-N 1 3 309.498 2.299 20 0 DEADHO CCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001494654719 1064389881 /nfs/dbraw/zinc/38/98/81/1064389881.db2.gz VJRZYRNRQFWWAK-LUKYLMHMSA-N 1 3 307.482 2.192 20 0 DEADHO CCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001494654719 1064389887 /nfs/dbraw/zinc/38/98/87/1064389887.db2.gz VJRZYRNRQFWWAK-LUKYLMHMSA-N 1 3 307.482 2.192 20 0 DEADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC=C(Cl)Cl ZINC001494981537 1064626241 /nfs/dbraw/zinc/62/62/41/1064626241.db2.gz PXDXTGWDBGYDII-GRYCIOLGSA-N 1 3 322.280 2.130 20 0 DEADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC=C(Cl)Cl ZINC001494981537 1064626252 /nfs/dbraw/zinc/62/62/52/1064626252.db2.gz PXDXTGWDBGYDII-GRYCIOLGSA-N 1 3 322.280 2.130 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1(C[NH2+]CCCF)CCCC1 ZINC001495211985 1064765343 /nfs/dbraw/zinc/76/53/43/1064765343.db2.gz PXGQMGHMHSPTPB-GASCZTMLSA-N 1 3 313.461 2.237 20 0 DEADHO Cc1cc(C[NH2+]C/C=C/CNC(=O)C2(N(C)C)CCC2)cs1 ZINC001568862355 1065163140 /nfs/dbraw/zinc/16/31/40/1065163140.db2.gz HPRWQNWMHMDAJV-SNAWJCMRSA-N 1 3 321.490 2.303 20 0 DEADHO CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001497613451 1066191742 /nfs/dbraw/zinc/19/17/42/1066191742.db2.gz ZMROJMHHVNLWSL-JTGQJZMRSA-N 1 3 321.440 2.236 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC/C=C\C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001497679719 1066233008 /nfs/dbraw/zinc/23/30/08/1066233008.db2.gz IWDZDGDOEHDJFT-RXYHWBRQSA-N 1 3 319.493 2.171 20 0 DEADHO C[C@H](NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1)c1cccc(F)c1 ZINC001497750201 1066285462 /nfs/dbraw/zinc/28/54/62/1066285462.db2.gz QXHNTZDPSNGKQI-WCQMXNECSA-N 1 3 319.424 2.100 20 0 DEADHO C[C@H](NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1cccc(F)c1 ZINC001497750201 1066285468 /nfs/dbraw/zinc/28/54/68/1066285468.db2.gz QXHNTZDPSNGKQI-WCQMXNECSA-N 1 3 319.424 2.100 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC001575697211 1066404550 /nfs/dbraw/zinc/40/45/50/1066404550.db2.gz RWGUCIIKSMMJJD-ZDUSSCGKSA-N 1 3 302.422 2.142 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC001575697211 1066404564 /nfs/dbraw/zinc/40/45/64/1066404564.db2.gz RWGUCIIKSMMJJD-ZDUSSCGKSA-N 1 3 302.422 2.142 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](C(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC001575698937 1066404728 /nfs/dbraw/zinc/40/47/28/1066404728.db2.gz ACJVFZKIYOOWPG-FUHWJXTLSA-N 1 3 315.461 2.110 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](C(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC001575698937 1066404736 /nfs/dbraw/zinc/40/47/36/1066404736.db2.gz ACJVFZKIYOOWPG-FUHWJXTLSA-N 1 3 315.461 2.110 20 0 DEADHO C[C@H](C[C@@H]1CCC[NH2+]1)NCC[C@@H](O)COCc1ccccc1 ZINC001575941164 1066461823 /nfs/dbraw/zinc/46/18/23/1066461823.db2.gz LBJVXZWSUNVUMD-BPQIPLTHSA-N 1 3 306.450 2.074 20 0 DEADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1C[C@@H](O)CCOCc1ccccc1 ZINC001576116837 1066497249 /nfs/dbraw/zinc/49/72/49/1066497249.db2.gz AVJSOVJSHZRHFW-SZMVWBNQSA-N 1 3 306.450 2.156 20 0 DEADHO C[C@H](N)[C@@H]1CCCC[N@H+]1C[C@@H](O)CCOCc1ccccc1 ZINC001576116837 1066497252 /nfs/dbraw/zinc/49/72/52/1066497252.db2.gz AVJSOVJSHZRHFW-SZMVWBNQSA-N 1 3 306.450 2.156 20 0 DEADHO CC[C@@H](C)C[C@@H](N)C(=O)Nc1ccc(C[NH+](C)C)cc1OC ZINC001576980712 1066737193 /nfs/dbraw/zinc/73/71/93/1066737193.db2.gz GRDIWJDCSVZHSD-TZMCWYRMSA-N 1 3 307.438 2.459 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@H](C[NH2+]CC2CC2)C2CC2)c1 ZINC001498874279 1066933784 /nfs/dbraw/zinc/93/37/84/1066933784.db2.gz KBEGYSWLXNMTNJ-SFHVURJKSA-N 1 3 315.461 2.256 20 0 DEADHO CC1CC(C[N@@H+]2CC[C@@H]2CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001498978427 1066996772 /nfs/dbraw/zinc/99/67/72/1066996772.db2.gz DGDPZIAXNLUYAO-OFLPRAFFSA-N 1 3 321.509 2.488 20 0 DEADHO CC1CC(C[N@H+]2CC[C@@H]2CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001498978427 1066996779 /nfs/dbraw/zinc/99/67/79/1066996779.db2.gz DGDPZIAXNLUYAO-OFLPRAFFSA-N 1 3 321.509 2.488 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@@H]2CCCC[C@H]2[NH3+])N(C)C)cc1 ZINC001578253916 1067034953 /nfs/dbraw/zinc/03/49/53/1067034953.db2.gz RLXYCQIMZMIFJP-KURKYZTESA-N 1 3 317.477 2.485 20 0 DEADHO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC001578598352 1067138404 /nfs/dbraw/zinc/13/84/04/1067138404.db2.gz KHMYAZUYMGLOLL-OAHLLOKOSA-N 1 3 300.406 2.115 20 0 DEADHO CO[C@@H](c1ccccc1Cl)[C@H](C)NCc1c(C[NH3+])cnn1C ZINC001578921053 1067200214 /nfs/dbraw/zinc/20/02/14/1067200214.db2.gz ZSPUWBWDQSFJGD-MEDUHNTESA-N 1 3 322.840 2.398 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN2CC[C@H](C(C)(C)C)[C@H](O)C2)cc1 ZINC001579193935 1067254356 /nfs/dbraw/zinc/25/43/56/1067254356.db2.gz IBZIAWYCQSXLGK-BPQIPLTHSA-N 1 3 320.477 2.466 20 0 DEADHO CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001267011841 1078498438 /nfs/dbraw/zinc/49/84/38/1078498438.db2.gz JIKIFLQKDPQKPE-WLMCBFPDSA-N 1 3 307.482 2.408 20 0 DEADHO COc1cccc(NC(=O)CC[NH2+][C@H]2CCCC[C@H]2CN)c1 ZINC001579280697 1067286550 /nfs/dbraw/zinc/28/65/50/1067286550.db2.gz NXYAGDFKXFDPNU-BBRMVZONSA-N 1 3 305.422 2.131 20 0 DEADHO COc1cccc(NC(=O)CCN[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC001579280697 1067286556 /nfs/dbraw/zinc/28/65/56/1067286556.db2.gz NXYAGDFKXFDPNU-BBRMVZONSA-N 1 3 305.422 2.131 20 0 DEADHO COc1ccccc1[C@@H](N)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001579301337 1067296009 /nfs/dbraw/zinc/29/60/09/1067296009.db2.gz KDBYUJHCDXLPFH-HNNXBMFYSA-N 1 3 319.449 2.076 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CCCC2CCC2)C1)N(C)C ZINC001267057506 1078534786 /nfs/dbraw/zinc/53/47/86/1078534786.db2.gz AFOTYOVAGTZTHG-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO N[C@@H](CC1CC1)C(=O)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC001580122603 1067501630 /nfs/dbraw/zinc/50/16/30/1067501630.db2.gz XFUXVJYUMZTICB-KRWDZBQOSA-N 1 3 307.482 2.371 20 0 DEADHO CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001267058920 1078536200 /nfs/dbraw/zinc/53/62/00/1078536200.db2.gz RAWUAIDPFAKJLF-RGDDUWESSA-N 1 3 304.438 2.137 20 0 DEADHO Cc1cc(C[NH2+]CCCN(C)C(=O)[C@H]2CCCCN2C)cs1 ZINC001483474028 1078555541 /nfs/dbraw/zinc/55/55/41/1078555541.db2.gz FXTZPPORPLKUBO-MRXNPFEDSA-N 1 3 323.506 2.479 20 0 DEADHO C[C@H](F)CC[NH2+]CC(C)(C)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001570682835 1068067924 /nfs/dbraw/zinc/06/79/24/1068067924.db2.gz FMTVEMSJQWKVDV-CABCVRRESA-N 1 3 315.477 2.151 20 0 DEADHO C[NH+](C)CC1(C(=O)NC[C@H]2CCN2CCC2CC2)CCCCC1 ZINC001483668233 1078765909 /nfs/dbraw/zinc/76/59/09/1078765909.db2.gz TXNZPDYOLOSEIQ-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@H](C(=O)N(C)CC[NH2+]Cc1c(C)cccc1C)N(C)C ZINC001267456845 1078864594 /nfs/dbraw/zinc/86/45/94/1078864594.db2.gz LIBHNHNPRRVLNE-QGZVFWFLSA-N 1 3 305.466 2.192 20 0 DEADHO CCCC[N@@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001272467068 1078900427 /nfs/dbraw/zinc/90/04/27/1078900427.db2.gz LWWIRYBNBXOQHC-LJQANCHMSA-N 1 3 315.461 2.338 20 0 DEADHO CCCC[N@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001272467068 1078900434 /nfs/dbraw/zinc/90/04/34/1078900434.db2.gz LWWIRYBNBXOQHC-LJQANCHMSA-N 1 3 315.461 2.338 20 0 DEADHO C[NH2+]C[C@@H]1CCCCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC001548583360 1072696938 /nfs/dbraw/zinc/69/69/38/1072696938.db2.gz VFVZUPXUKXIGIY-SFHVURJKSA-N 1 3 315.461 2.497 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1(NC/C=C/Cl)CC1 ZINC001483745834 1078983984 /nfs/dbraw/zinc/98/39/84/1078983984.db2.gz IYILQYHASAELOM-YOIVXCQUSA-N 1 3 313.873 2.098 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1(NC/C=C/Cl)CC1 ZINC001483745834 1078983990 /nfs/dbraw/zinc/98/39/90/1078983990.db2.gz IYILQYHASAELOM-YOIVXCQUSA-N 1 3 313.873 2.098 20 0 DEADHO CCn1cc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CCCC[C@@H]2CN)cn1 ZINC001549338673 1073131348 /nfs/dbraw/zinc/13/13/48/1073131348.db2.gz WZMDXWOARWXDSX-JOCBIADPSA-N 1 3 320.481 2.478 20 0 DEADHO [NH3+][C@@H]1CCCC[C@H]1CC(=O)Nc1ccc2c(c1)OCCNC2 ZINC001549756143 1073254966 /nfs/dbraw/zinc/25/49/66/1073254966.db2.gz XFUYWXNRASRIIH-SWLSCSKDSA-N 1 3 303.406 2.015 20 0 DEADHO CCN1CCC[C@H](NC(=O)Nc2ccc([C@H]3C[C@H]3[NH3+])cc2)C1 ZINC001549793858 1073268600 /nfs/dbraw/zinc/26/86/00/1073268600.db2.gz YCFUOSCORKUOSH-ARFHVFGLSA-N 1 3 302.422 2.107 20 0 DEADHO C[NH+](C)CCC(=O)NCc1ccc2c(c1)CN(CC1CCC1)C2 ZINC001368640365 1148544296 /nfs/dbraw/zinc/54/42/96/1148544296.db2.gz WZBRWHWABWWAML-UHFFFAOYSA-N 1 3 315.461 2.370 20 0 DEADHO [NH3+][C@H]1C[C@H]1c1ccc(NCc2nc3c(s2)CNCC3)cc1 ZINC001549920412 1073334946 /nfs/dbraw/zinc/33/49/46/1073334946.db2.gz YHHJNXOEDDTGPP-STQMWFEESA-N 1 3 300.431 2.216 20 0 DEADHO CC(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001409903529 1079081336 /nfs/dbraw/zinc/08/13/36/1079081336.db2.gz IAKZCWISIUOCJW-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1([NH2+]CC[C@@H](C)F)CC1 ZINC001483772571 1079102723 /nfs/dbraw/zinc/10/27/23/1079102723.db2.gz ALKPLSXOADOLJA-HUUCEWRRSA-N 1 3 313.461 2.236 20 0 DEADHO N[C@H](CC1CC1)C(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC001550194456 1073487911 /nfs/dbraw/zinc/48/79/11/1073487911.db2.gz LVTWOTGIZOQUOC-DJIMGWMZSA-N 1 3 307.482 2.260 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001550239844 1073532694 /nfs/dbraw/zinc/53/26/94/1073532694.db2.gz QVHKSOOKOAXBKR-IBGZPJMESA-N 1 3 315.461 2.354 20 0 DEADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001550324263 1073591790 /nfs/dbraw/zinc/59/17/90/1073591790.db2.gz OJTKGJIVIKMYNH-VQHPVUNQSA-N 1 3 305.466 2.136 20 0 DEADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001550324263 1073591802 /nfs/dbraw/zinc/59/18/02/1073591802.db2.gz OJTKGJIVIKMYNH-VQHPVUNQSA-N 1 3 305.466 2.136 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC001550865643 1073922097 /nfs/dbraw/zinc/92/20/97/1073922097.db2.gz CXLYLCPBPMWKCM-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC001550865643 1073922107 /nfs/dbraw/zinc/92/21/07/1073922107.db2.gz CXLYLCPBPMWKCM-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)C1CCOCC1 ZINC001551238438 1074127447 /nfs/dbraw/zinc/12/74/47/1074127447.db2.gz SXGPMCLRZZSCOP-ZLPCBKJTSA-N 1 3 310.482 2.425 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001369276577 1148888616 /nfs/dbraw/zinc/88/86/16/1148888616.db2.gz CNMIUZQWLTUVRK-HUUCEWRRSA-N 1 3 314.433 2.458 20 0 DEADHO CS[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001649845658 1079260492 /nfs/dbraw/zinc/26/04/92/1079260492.db2.gz YLMAXIQQWKJULY-ZWKOTPCHSA-N 1 3 319.518 2.418 20 0 DEADHO CC(C)C[NH2+][C@H](C)CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001369276019 1148888949 /nfs/dbraw/zinc/88/89/49/1148888949.db2.gz MCMVYAMOOMVYDC-PBHICJAKSA-N 1 3 315.477 2.291 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)[C@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC001552150888 1074476247 /nfs/dbraw/zinc/47/62/47/1074476247.db2.gz BATOYLASVBSKCB-IRXDYDNUSA-N 1 3 321.509 2.203 20 0 DEADHO N[C@@H](C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2)C1CCCCCC1 ZINC001646746612 1074595009 /nfs/dbraw/zinc/59/50/09/1074595009.db2.gz BKWXXBLRGDDOHX-SMDDNHRTSA-N 1 3 322.478 2.195 20 0 DEADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H]2CCCO[C@@H]2c2ccnn2C)C1 ZINC001552526837 1074597325 /nfs/dbraw/zinc/59/73/25/1074597325.db2.gz LAZRAKIZSFOXLR-JZXOWHBKSA-N 1 3 320.481 2.161 20 0 DEADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCCO[C@@H]2c2ccnn2C)C1 ZINC001552526837 1074597331 /nfs/dbraw/zinc/59/73/31/1074597331.db2.gz LAZRAKIZSFOXLR-JZXOWHBKSA-N 1 3 320.481 2.161 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C[C@H]2CCCO[C@@H]2c2ccnn2C)C1 ZINC001552526837 1074597337 /nfs/dbraw/zinc/59/73/37/1074597337.db2.gz LAZRAKIZSFOXLR-JZXOWHBKSA-N 1 3 320.481 2.161 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@H]2CCCO[C@@H]2c2ccnn2C)C1 ZINC001552526837 1074597343 /nfs/dbraw/zinc/59/73/43/1074597343.db2.gz LAZRAKIZSFOXLR-JZXOWHBKSA-N 1 3 320.481 2.161 20 0 DEADHO CC1CCC(N2CCN(C(=O)[C@]34CCC[C@@H]3[NH2+]CC4)CC2)CC1 ZINC001552833199 1074672273 /nfs/dbraw/zinc/67/22/73/1074672273.db2.gz LLCICLSISUMETJ-AKSNENBUSA-N 1 3 319.493 2.242 20 0 DEADHO CC1(C)[C@@H]2NCCC[C@@H]2[C@H]1[NH2+]C1CCN(c2nccs2)CC1 ZINC001553026852 1074741844 /nfs/dbraw/zinc/74/18/44/1074741844.db2.gz ZANQKAGFTKIQFA-RRFJBIMHSA-N 1 3 320.506 2.478 20 0 DEADHO Fc1ccc(O[C@@H]2CCN(C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C2)cc1 ZINC001553304671 1074834898 /nfs/dbraw/zinc/83/48/98/1074834898.db2.gz JKLNTSFIEXXGKU-SQNIBIBYSA-N 1 3 320.408 2.047 20 0 DEADHO C[NH2+][C@H](C)CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC001647229441 1074850100 /nfs/dbraw/zinc/85/01/00/1074850100.db2.gz OEUWRGYPSYVRTI-KGLIPLIRSA-N 1 3 324.494 2.182 20 0 DEADHO CCN1CCC[C@H](NC(=O)N2CCCC[C@H]2C2(C[NH3+])CCC2)C1 ZINC001553442350 1074873990 /nfs/dbraw/zinc/87/39/90/1074873990.db2.gz YURSZWMCVVAXSJ-HOTGVXAUSA-N 1 3 322.497 2.164 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)s1 ZINC001553650257 1074974799 /nfs/dbraw/zinc/97/47/99/1074974799.db2.gz AWECCUKOFUEUDH-CJNGLKHVSA-N 1 3 321.490 2.443 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)s1 ZINC001553650257 1074974800 /nfs/dbraw/zinc/97/48/00/1074974800.db2.gz AWECCUKOFUEUDH-CJNGLKHVSA-N 1 3 321.490 2.443 20 0 DEADHO CCOCOc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)cc1 ZINC001560623305 1075143895 /nfs/dbraw/zinc/14/38/95/1075143895.db2.gz TYYHUYPTKOWCBN-RYQLBKOJSA-N 1 3 304.434 2.489 20 0 DEADHO CCCCC[NH2+][C@@H]1CC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001565908765 1075205176 /nfs/dbraw/zinc/20/51/76/1075205176.db2.gz YWCLRLLDXOCANV-IXDOHACOSA-N 1 3 309.498 2.393 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[N@@H+](C)CCC1CCCC1 ZINC001566512179 1075266187 /nfs/dbraw/zinc/26/61/87/1075266187.db2.gz IHCXMUXTUFVMNW-UHFFFAOYSA-N 1 3 306.454 2.279 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[N@H+](C)CCC1CCCC1 ZINC001566512179 1075266189 /nfs/dbraw/zinc/26/61/89/1075266189.db2.gz IHCXMUXTUFVMNW-UHFFFAOYSA-N 1 3 306.454 2.279 20 0 DEADHO CC/C=C\CC[N@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001566743415 1075332892 /nfs/dbraw/zinc/33/28/92/1075332892.db2.gz MULSWCGYWSYDLX-YIEVGGLXSA-N 1 3 318.465 2.479 20 0 DEADHO CC/C=C\CC[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001566743415 1075332900 /nfs/dbraw/zinc/33/29/00/1075332900.db2.gz MULSWCGYWSYDLX-YIEVGGLXSA-N 1 3 318.465 2.479 20 0 DEADHO CN1CC[C@@H](C[NH2+]C[C@@H](O)c2ccccc2Br)C1 ZINC001650160042 1079427876 /nfs/dbraw/zinc/42/78/76/1079427876.db2.gz YCIZMKRWUBZSQB-SMDDNHRTSA-N 1 3 313.239 2.024 20 0 DEADHO CN(CC[NH2+][C@H]1CCc2ccccc21)C(=O)CN(C)C1CCC1 ZINC001481240666 1079452636 /nfs/dbraw/zinc/45/26/36/1079452636.db2.gz TUYLEWQCDSPFSF-SFHVURJKSA-N 1 3 315.461 2.206 20 0 DEADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001369298310 1148894640 /nfs/dbraw/zinc/89/46/40/1148894640.db2.gz UBPMZDYEQNLQJM-UONOGXRCSA-N 1 3 319.440 2.200 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CCC1 ZINC001369299386 1148895343 /nfs/dbraw/zinc/89/53/43/1148895343.db2.gz XXQVKCZKQVHWLI-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO c1cc(OCC2CC2)ccc1CN1CCC(OC2C[NH2+]C2)CC1 ZINC001580891421 1076016355 /nfs/dbraw/zinc/01/63/55/1076016355.db2.gz XCZJOJVKASOASW-UHFFFAOYSA-N 1 3 316.445 2.428 20 0 DEADHO c1cc(N2CC[NH2+]CC2)oc1CNC[C@@H]1OCc2ccccc21 ZINC001580896609 1076017615 /nfs/dbraw/zinc/01/76/15/1076017615.db2.gz KCSUDNJGPWRBES-KRWDZBQOSA-N 1 3 313.401 2.050 20 0 DEADHO C[N@H+](CCCCCCC[NH3+])CCc1cccc(-c2nnn[n-]2)c1 ZINC001591066911 1076708429 /nfs/dbraw/zinc/70/84/29/1076708429.db2.gz LJEZNOQVWDKNPB-UHFFFAOYSA-N 1 3 316.453 2.250 20 0 DEADHO C[N@@H+](CCCCCCC[NH3+])CCc1cccc(-c2nnn[n-]2)c1 ZINC001591066911 1076708432 /nfs/dbraw/zinc/70/84/32/1076708432.db2.gz LJEZNOQVWDKNPB-UHFFFAOYSA-N 1 3 316.453 2.250 20 0 DEADHO C[N@H+](CCCCCCC[NH3+])CCc1cccc(-c2nn[n-]n2)c1 ZINC001591066911 1076708434 /nfs/dbraw/zinc/70/84/34/1076708434.db2.gz LJEZNOQVWDKNPB-UHFFFAOYSA-N 1 3 316.453 2.250 20 0 DEADHO C[N@@H+](CCCCCCC[NH3+])CCc1cccc(-c2nn[n-]n2)c1 ZINC001591066911 1076708438 /nfs/dbraw/zinc/70/84/38/1076708438.db2.gz LJEZNOQVWDKNPB-UHFFFAOYSA-N 1 3 316.453 2.250 20 0 DEADHO C[C@H]([NH2+]CCCCCC[NH3+])c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001609123825 1077766328 /nfs/dbraw/zinc/76/63/28/1077766328.db2.gz PJOLGHDGDLPIKF-NSHDSACASA-N 1 3 306.389 2.176 20 0 DEADHO C[C@H]([NH2+]CCCCCC[NH3+])c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609123825 1077766332 /nfs/dbraw/zinc/76/63/32/1077766332.db2.gz PJOLGHDGDLPIKF-NSHDSACASA-N 1 3 306.389 2.176 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)C23CCC(CC2)[NH2+]3)N(C)C)cc1 ZINC001650333789 1079535909 /nfs/dbraw/zinc/53/59/09/1079535909.db2.gz UZXNNMLZMXXKJC-TVRKMHQQSA-N 1 3 315.461 2.253 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001650379944 1079573645 /nfs/dbraw/zinc/57/36/45/1079573645.db2.gz YJDYENVUJAULKG-RBSFLKMASA-N 1 3 301.434 2.338 20 0 DEADHO CC[C@@H]([NH2+]CCN(C)C(=O)CN1CCCC1)c1ccc(F)cc1 ZINC001481315425 1079711151 /nfs/dbraw/zinc/71/11/51/1079711151.db2.gz ZTQFQLCZCDXWLC-QGZVFWFLSA-N 1 3 321.440 2.421 20 0 DEADHO CC[C@@H](F)C[NH2+][C@@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001481344210 1079737965 /nfs/dbraw/zinc/73/79/65/1079737965.db2.gz VXKSLTUJITZGTK-GOEBONIOSA-N 1 3 313.461 2.047 20 0 DEADHO CCC1([NH2+]CC[C@H](C)F)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001484814490 1079805550 /nfs/dbraw/zinc/80/55/50/1079805550.db2.gz KIGWURAWVZWXBT-LSDHHAIUSA-N 1 3 313.461 2.190 20 0 DEADHO Cc1cc(C[NH2+][C@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C)cs1 ZINC001484909258 1079855439 /nfs/dbraw/zinc/85/54/39/1079855439.db2.gz KCGDJLNLHVTHHF-BBRMVZONSA-N 1 3 323.506 2.333 20 0 DEADHO C[NH+](C)CCC(=O)NCC[C@H]1CCN(Cc2ccccc2F)C1 ZINC001481448473 1079867033 /nfs/dbraw/zinc/86/70/33/1079867033.db2.gz ZACOCPKELJGLNZ-HNNXBMFYSA-N 1 3 321.440 2.106 20 0 DEADHO CC(C)CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001485050612 1079937594 /nfs/dbraw/zinc/93/75/94/1079937594.db2.gz OHERDKAZORIRBO-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001485050612 1079937601 /nfs/dbraw/zinc/93/76/01/1079937601.db2.gz OHERDKAZORIRBO-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC1CCN(CC(=O)N2CCC[C@@H]2C[N@H+](C)CCC2CC2)CC1 ZINC001485072807 1079958251 /nfs/dbraw/zinc/95/82/51/1079958251.db2.gz IPWUDNSTNHDPHJ-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CC1CCN(CC(=O)N2CCC[C@@H]2C[N@@H+](C)CCC2CC2)CC1 ZINC001485072807 1079958256 /nfs/dbraw/zinc/95/82/56/1079958256.db2.gz IPWUDNSTNHDPHJ-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)=CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001481512943 1079978148 /nfs/dbraw/zinc/97/81/48/1079978148.db2.gz DYZFNQIQHXFQBH-KRWDZBQOSA-N 1 3 307.482 2.217 20 0 DEADHO CC(C)=CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001481512943 1079978153 /nfs/dbraw/zinc/97/81/53/1079978153.db2.gz DYZFNQIQHXFQBH-KRWDZBQOSA-N 1 3 307.482 2.217 20 0 DEADHO Cc1n[nH]c(CC[NH2+]CC(C)(C)CN(C)Cc2ccccc2)n1 ZINC001655939877 1080026666 /nfs/dbraw/zinc/02/66/66/1080026666.db2.gz HISHBLVUUWOPMH-UHFFFAOYSA-N 1 3 315.465 2.403 20 0 DEADHO C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCCC1 ZINC001481676840 1080287590 /nfs/dbraw/zinc/28/75/90/1080287590.db2.gz PAWCNDVXJBWSPE-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CCCCC[N@@H+]1CCCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001485663672 1080354521 /nfs/dbraw/zinc/35/45/21/1080354521.db2.gz AXEYMMLEEBDTLK-KRWDZBQOSA-N 1 3 321.509 2.443 20 0 DEADHO CCCCC[N@H+]1CCCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001485663672 1080354528 /nfs/dbraw/zinc/35/45/28/1080354528.db2.gz AXEYMMLEEBDTLK-KRWDZBQOSA-N 1 3 321.509 2.443 20 0 DEADHO CCN(C(=O)CC[N@H+](C)CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC001481776974 1080492521 /nfs/dbraw/zinc/49/25/21/1080492521.db2.gz CWVIJTOTXZAHOK-SFHVURJKSA-N 1 3 317.477 2.451 20 0 DEADHO CCN(C(=O)CC[N@@H+](C)CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC001481776974 1080492522 /nfs/dbraw/zinc/49/25/22/1080492522.db2.gz CWVIJTOTXZAHOK-SFHVURJKSA-N 1 3 317.477 2.451 20 0 DEADHO CCCCC[NH2+]C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001661946703 1080547648 /nfs/dbraw/zinc/54/76/48/1080547648.db2.gz NEHJYAZLHUWJIW-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO CCN(CC[NH2+]Cc1ccc(F)cc1)C(=O)CN1CC[C@@H](C)C1 ZINC001268479227 1080595026 /nfs/dbraw/zinc/59/50/26/1080595026.db2.gz GDOAWQULIFRAMP-OAHLLOKOSA-N 1 3 321.440 2.106 20 0 DEADHO CC[C@@H](F)CNCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001663981404 1080845379 /nfs/dbraw/zinc/84/53/79/1080845379.db2.gz FWFOFFHJGCWIJX-ZBFHGGJFSA-N 1 3 313.461 2.190 20 0 DEADHO CC[C@@H](F)CNCCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001663981404 1080845392 /nfs/dbraw/zinc/84/53/92/1080845392.db2.gz FWFOFFHJGCWIJX-ZBFHGGJFSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)[C@H](C(=O)N(C)CC[NH2+]C[C@H]1CCC(F)(F)C1)N(C)C ZINC001664320455 1080893405 /nfs/dbraw/zinc/89/34/05/1080893405.db2.gz AHLJQKABOBOEBQ-UONOGXRCSA-N 1 3 319.440 2.056 20 0 DEADHO CN(CCC[NH2+]C/C=C/c1ccccc1)C(=O)Cc1c[nH]cn1 ZINC001268861337 1081022699 /nfs/dbraw/zinc/02/26/99/1081022699.db2.gz TXDRMXDTPHDQIJ-WEVVVXLNSA-N 1 3 312.417 2.104 20 0 DEADHO CN(CCC[NH2+]CC1CCC2(CC2)CC1)C(=O)Cc1c[nH]cn1 ZINC001268861373 1081023037 /nfs/dbraw/zinc/02/30/37/1081023037.db2.gz UUYKOLWHJLPYDV-UHFFFAOYSA-N 1 3 318.465 2.361 20 0 DEADHO CC(C)CC[NH2+]CC[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001666152634 1081128831 /nfs/dbraw/zinc/12/88/31/1081128831.db2.gz RUESCHQLDNUNHB-OAHLLOKOSA-N 1 3 306.454 2.217 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CC2CC2)C1 ZINC001666172861 1081130638 /nfs/dbraw/zinc/13/06/38/1081130638.db2.gz MVQSFKQCTJBINI-ROUUACIJSA-N 1 3 321.509 2.489 20 0 DEADHO CCC(CC)CN1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000949862552 1081217730 /nfs/dbraw/zinc/21/77/30/1081217730.db2.gz HQVRTDNZYYJBEB-RDJZCZTQSA-N 1 3 309.498 2.297 20 0 DEADHO CCC(CC)CN1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000949862552 1081217734 /nfs/dbraw/zinc/21/77/34/1081217734.db2.gz HQVRTDNZYYJBEB-RDJZCZTQSA-N 1 3 309.498 2.297 20 0 DEADHO Cc1cc(Cl)ccc1CNC/C=C/CNC(=O)CC[NH+](C)C ZINC001669020755 1081420006 /nfs/dbraw/zinc/42/00/06/1081420006.db2.gz IXUPIZWRQJDBFU-SNAWJCMRSA-N 1 3 323.868 2.362 20 0 DEADHO Cc1cccc(C[NH2+]C/C=C/CNC(=O)CN2CC[C@H](C)C2)c1 ZINC001669039031 1081421993 /nfs/dbraw/zinc/42/19/93/1081421993.db2.gz IUESLPVUUSCESS-IDOMTICXSA-N 1 3 315.461 2.099 20 0 DEADHO CC[NH+](CC)CCCN1CCN([C@@H](C)CCSC)CC1 ZINC001258221945 1081462939 /nfs/dbraw/zinc/46/29/39/1081462939.db2.gz JNUKSQCNGPGWGQ-INIZCTEOSA-N 1 3 301.544 2.478 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC001270316212 1081500785 /nfs/dbraw/zinc/50/07/85/1081500785.db2.gz VRYPBEVGDFJXCN-GOSISDBHSA-N 1 3 317.477 2.150 20 0 DEADHO CN(CCC[NH2+]CC1CCC2(CC2)CC1)C(=O)CN1CCCC1 ZINC001670345698 1081511830 /nfs/dbraw/zinc/51/18/30/1081511830.db2.gz WOPPELZGQDPBMW-UHFFFAOYSA-N 1 3 321.509 2.491 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CN2CCCC2)cc1 ZINC001482364745 1081763513 /nfs/dbraw/zinc/76/35/13/1081763513.db2.gz PIIZGNLDVPXLBV-INIZCTEOSA-N 1 3 303.450 2.027 20 0 DEADHO CC(C)C[C@@H](CNCCF)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001482395471 1081790229 /nfs/dbraw/zinc/79/02/29/1081790229.db2.gz KQOPYKCSJOYRSM-CVEARBPZSA-N 1 3 315.477 2.341 20 0 DEADHO CC(C)(C(=O)NC1CC(C[NH2+]CCCF)C1)N1CCCCC1 ZINC001674541945 1081888616 /nfs/dbraw/zinc/88/86/16/1081888616.db2.gz JUFLVWYISBDJNF-UHFFFAOYSA-N 1 3 313.461 2.095 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CC1CCC1 ZINC001271493647 1082062043 /nfs/dbraw/zinc/06/20/43/1082062043.db2.gz BZVPSTGYBDJRQP-IAGOWNOFSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1CC[NH2+]C/C=C\Cl ZINC001271598579 1082089133 /nfs/dbraw/zinc/08/91/33/1082089133.db2.gz AODHFXFRACBTCO-WUKHSURWSA-N 1 3 315.889 2.442 20 0 DEADHO CCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001271646244 1082098799 /nfs/dbraw/zinc/09/87/99/1082098799.db2.gz SRNFJGZWVPPKPP-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CC[C@H](C[NH2+]CCF)CC1)N(C)C ZINC001271782978 1082153299 /nfs/dbraw/zinc/15/32/99/1082153299.db2.gz LVHOUJHVRAJJDJ-BZUAXINKSA-N 1 3 315.477 2.054 20 0 DEADHO CC[NH2+]CCN(Cc1ccccc1)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001271827420 1082166491 /nfs/dbraw/zinc/16/64/91/1082166491.db2.gz ZPVYELBGSKTMJD-IRXDYDNUSA-N 1 3 317.477 2.498 20 0 DEADHO CCCCC[N@H+]1C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001271860406 1082175108 /nfs/dbraw/zinc/17/51/08/1082175108.db2.gz JXEZJNROSLFEFK-IYBDPMFKSA-N 1 3 307.482 2.051 20 0 DEADHO CCCCC[N@@H+]1C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001271860406 1082175111 /nfs/dbraw/zinc/17/51/11/1082175111.db2.gz JXEZJNROSLFEFK-IYBDPMFKSA-N 1 3 307.482 2.051 20 0 DEADHO O=C(CCC[NH+]1CCCCC1)N1CC2(C1)CN(C1CCCC1)C2 ZINC001271931341 1082197903 /nfs/dbraw/zinc/19/79/03/1082197903.db2.gz ODNUOEXJCBLZDK-UHFFFAOYSA-N 1 3 319.493 2.339 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCCCC(F)(F)F)C1)N(C)C ZINC001266712951 1082300562 /nfs/dbraw/zinc/30/05/62/1082300562.db2.gz KJOGDRSZMSRTNN-XQQFMLRXSA-N 1 3 323.403 2.296 20 0 DEADHO Cc1ccc(C[N@@H+](C)CCN(C)C(=O)[C@H]2CCCN2C)c(C)c1 ZINC001482619107 1082412057 /nfs/dbraw/zinc/41/20/57/1082412057.db2.gz NUEUZVIDBQLVIN-GOSISDBHSA-N 1 3 317.477 2.288 20 0 DEADHO Cc1ccc(C[N@H+](C)CCN(C)C(=O)[C@H]2CCCN2C)c(C)c1 ZINC001482619107 1082412062 /nfs/dbraw/zinc/41/20/62/1082412062.db2.gz NUEUZVIDBQLVIN-GOSISDBHSA-N 1 3 317.477 2.288 20 0 DEADHO CC(C)C[N@H+](C)CCN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001482649728 1082434359 /nfs/dbraw/zinc/43/43/59/1082434359.db2.gz ISCJNWBALZDFEG-UHFFFAOYSA-N 1 3 305.466 2.408 20 0 DEADHO CC(C)C[N@@H+](C)CCN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001482649728 1082434360 /nfs/dbraw/zinc/43/43/60/1082434360.db2.gz ISCJNWBALZDFEG-UHFFFAOYSA-N 1 3 305.466 2.408 20 0 DEADHO CCCCC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)C(C)C)CC[C@H]21 ZINC001482663652 1082442183 /nfs/dbraw/zinc/44/21/83/1082442183.db2.gz BNAWWCYWIVOUCT-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CCCCC[N@H+]1CC[C@H]2CN(C(=O)CN(C)C(C)C)CC[C@H]21 ZINC001482663652 1082442187 /nfs/dbraw/zinc/44/21/87/1082442187.db2.gz BNAWWCYWIVOUCT-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CN(CCNC(=O)CCC[NH+](C)C)[C@H]1CCc2ccc(F)cc21 ZINC001480906906 1082478571 /nfs/dbraw/zinc/47/85/71/1082478571.db2.gz DQFKYRUJYWXHOB-KRWDZBQOSA-N 1 3 321.440 2.203 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCCc1ccsc1 ZINC001266971214 1082483393 /nfs/dbraw/zinc/48/33/93/1082483393.db2.gz KFYBDIMCHMTTER-LSDHHAIUSA-N 1 3 323.506 2.117 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001482693782 1082486917 /nfs/dbraw/zinc/48/69/17/1082486917.db2.gz NNJCNNLPHMODEM-CHWSQXEVSA-N 1 3 323.403 2.155 20 0 DEADHO C[C@@H](CC[NH2+]Cc1ccccc1F)NC(=O)CN1CC[C@H](C)C1 ZINC001482870845 1082538423 /nfs/dbraw/zinc/53/84/23/1082538423.db2.gz HNILLTMNLYZUSM-GJZGRUSLSA-N 1 3 321.440 2.152 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1cccc(C)c1)N(C)C ZINC001482874781 1082540699 /nfs/dbraw/zinc/54/06/99/1082540699.db2.gz LEICUKQZDZTYRI-WBVHZDCISA-N 1 3 305.466 2.320 20 0 DEADHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCCc1ccsc1 ZINC001483045800 1082657871 /nfs/dbraw/zinc/65/78/71/1082657871.db2.gz YRESGFAKDCPBKI-WOMSROEHSA-N 1 3 321.490 2.037 20 0 DEADHO CC[C@@H](C(=O)NC/C=C\C[NH2+][C@@H](C)c1ccc(F)cc1)N(C)C ZINC001483060706 1082677873 /nfs/dbraw/zinc/67/78/73/1082677873.db2.gz OTATWIPVCQMRPX-GMMSVRSPSA-N 1 3 321.440 2.489 20 0 DEADHO C[C@H](C(=O)NC/C=C\CNC/C=C\Cl)[NH+]1CCCCCC1 ZINC001483069147 1082689579 /nfs/dbraw/zinc/68/95/79/1082689579.db2.gz KDRPPHXYVCSQCW-CZCLERICSA-N 1 3 313.873 2.265 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)C(C)C)cc1 ZINC001409477534 1082911281 /nfs/dbraw/zinc/91/12/81/1082911281.db2.gz SYHQLQZDANDWFS-HZPDHXFCSA-N 1 3 305.466 2.318 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)[N@@H+](C)CC[C@H](C)F ZINC001409596938 1082973957 /nfs/dbraw/zinc/97/39/57/1082973957.db2.gz QKTKSJOCEDWABR-UONOGXRCSA-N 1 3 301.450 2.045 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)[N@H+](C)CC[C@H](C)F ZINC001409596938 1082973960 /nfs/dbraw/zinc/97/39/60/1082973960.db2.gz QKTKSJOCEDWABR-UONOGXRCSA-N 1 3 301.450 2.045 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1C ZINC001483296355 1083080764 /nfs/dbraw/zinc/08/07/64/1083080764.db2.gz FXDGXQHWDIVJPF-FUHWJXTLSA-N 1 3 317.477 2.464 20 0 DEADHO C[NH+](C)CCN1CCC(NCc2nc3c(s2)CCCC3)CC1 ZINC001413116645 1083363818 /nfs/dbraw/zinc/36/38/18/1083363818.db2.gz IYFHZQCKHWTFPK-UHFFFAOYSA-N 1 3 322.522 2.138 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]CCCN(C)C(=O)CN(C)C(C)C ZINC001276399763 1083378340 /nfs/dbraw/zinc/37/83/40/1083378340.db2.gz QBNFEYWMEOVKFE-UHFFFAOYSA-N 1 3 323.456 2.412 20 0 DEADHO CN1C[C@@H]2CC[C@H]([NH2+]C3CCN(CCC(F)(F)F)CC3)[C@@H]2C1 ZINC001413191991 1083422273 /nfs/dbraw/zinc/42/22/73/1083422273.db2.gz XELAIWDBYNJHIY-CFVMTHIKSA-N 1 3 319.415 2.333 20 0 DEADHO CCC[NH2+]C[C@@H](NC(=O)c1cccc(CN(C)C)c1)C1CC1 ZINC001276712145 1083563868 /nfs/dbraw/zinc/56/38/68/1083563868.db2.gz QUTYMHSYBMANMR-QGZVFWFLSA-N 1 3 303.450 2.256 20 0 DEADHO Cc1n[nH]c(C)c1CN[C@@]12CC[C@@]([NH2+]CCN(C)C)(C1)CCC2 ZINC001276823335 1083631071 /nfs/dbraw/zinc/63/10/71/1083631071.db2.gz SWJGNFVDJRJUAG-MSOLQXFVSA-N 1 3 319.497 2.113 20 0 DEADHO CC(C)[C@@H](CNC(=O)N[C@@H]1CCN(C)[C@H]1C)[NH+]1CCC(C)CC1 ZINC001413681668 1083850686 /nfs/dbraw/zinc/85/06/86/1083850686.db2.gz HRKFKEZGLULCFI-GVDBMIGSSA-N 1 3 324.513 2.135 20 0 DEADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1)c1ccccc1 ZINC001490898224 1083865233 /nfs/dbraw/zinc/86/52/33/1083865233.db2.gz XOMFOYBXZUHEQS-XIRDDKMYSA-N 1 3 315.461 2.469 20 0 DEADHO CC[C@@H](C(=O)NC[C@@]1(C)CCC[N@H+](CCC2CC2)C1)N(C)C ZINC001402210280 1162290220 /nfs/dbraw/zinc/29/02/20/1162290220.db2.gz MCXVZJLJXHVZJH-FUHWJXTLSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)NC[C@@]1(C)CCC[N@@H+](CCC2CC2)C1)N(C)C ZINC001402210280 1162290222 /nfs/dbraw/zinc/29/02/22/1162290222.db2.gz MCXVZJLJXHVZJH-FUHWJXTLSA-N 1 3 309.498 2.345 20 0 DEADHO CC/C=C\CCN1CC2(C[C@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001277530288 1084022059 /nfs/dbraw/zinc/02/20/59/1084022059.db2.gz ZZJBHQUSGZANPZ-OSJSJHBBSA-N 1 3 319.493 2.217 20 0 DEADHO COC(C)(C)C[NH+]1CCC2(CCN(Cc3cn[nH]c3)C2)CC1 ZINC001277584932 1084046276 /nfs/dbraw/zinc/04/62/76/1084046276.db2.gz WIUOYVGPMOQXPU-UHFFFAOYSA-N 1 3 306.454 2.123 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001491173972 1084129645 /nfs/dbraw/zinc/12/96/45/1084129645.db2.gz VHRPUQGZQOVOBR-MRXNPFEDSA-N 1 3 311.514 2.449 20 0 DEADHO CC(C)Oc1c(F)cccc1CN1CCC[C@@](O)(C[NH3+])CC1 ZINC001205247509 1084132716 /nfs/dbraw/zinc/13/27/16/1084132716.db2.gz IKJSDCXHYYZYFF-KRWDZBQOSA-N 1 3 310.413 2.289 20 0 DEADHO CCOCC[NH+]1CCC2(CCN(Cc3cc(C)nn3C)C2)CC1 ZINC001277857974 1084178989 /nfs/dbraw/zinc/17/89/89/1084178989.db2.gz KNCSDAKLZCFQNN-UHFFFAOYSA-N 1 3 320.481 2.053 20 0 DEADHO CCOCC[NH+]1CCC2(CCN(Cc3cccc(=O)[nH]3)C2)CC1 ZINC001277857996 1084179507 /nfs/dbraw/zinc/17/95/07/1084179507.db2.gz KTHVPQAESRLHIS-UHFFFAOYSA-N 1 3 319.449 2.112 20 0 DEADHO C[C@@H]1CNCC(F)(F)[C@@H]1CN1CCCC[C@@]12CCC[NH2+]C2 ZINC001235172225 1084334587 /nfs/dbraw/zinc/33/45/87/1084334587.db2.gz KZRNSUQWGTXOMX-KFWWJZLASA-N 1 3 301.425 2.085 20 0 DEADHO C[C@H](Cc1ccc2c(c1)OCO2)CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235255743 1084361382 /nfs/dbraw/zinc/36/13/82/1084361382.db2.gz OEXQTIZDYBFXAA-FVQBIDKESA-N 1 3 302.418 2.278 20 0 DEADHO CC(C)CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C1CC1)N(C)C ZINC001235356662 1084404891 /nfs/dbraw/zinc/40/48/91/1084404891.db2.gz XHBVGWCOUKBGMX-DLBZAZTESA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C1CC1)N(C)C ZINC001235356662 1084404893 /nfs/dbraw/zinc/40/48/93/1084404893.db2.gz XHBVGWCOUKBGMX-DLBZAZTESA-N 1 3 309.498 2.296 20 0 DEADHO O=C1[C@H]2CN(CC[C@@H]3CCCC[NH2+]3)C[C@H]2CN1c1ccccc1 ZINC001235588025 1084473690 /nfs/dbraw/zinc/47/36/90/1084473690.db2.gz OKWRHQBKCUWVFK-BQFCYCMXSA-N 1 3 313.445 2.113 20 0 DEADHO C[C@H](O)CN1CCC[C@]2(CC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001277957792 1084480961 /nfs/dbraw/zinc/48/09/61/1084480961.db2.gz DIHWSSXUYQGLFR-UONOGXRCSA-N 1 3 308.388 2.498 20 0 DEADHO C[C@H](O)CN1CCC[C@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001277957792 1084480967 /nfs/dbraw/zinc/48/09/67/1084480967.db2.gz DIHWSSXUYQGLFR-UONOGXRCSA-N 1 3 308.388 2.498 20 0 DEADHO CC(C)(C)OC(=O)NCCN1CCC(C2CC[NH2+]CC2)CC1 ZINC001235702812 1084507060 /nfs/dbraw/zinc/50/70/60/1084507060.db2.gz NUIJBVGRJLLJJV-UHFFFAOYSA-N 1 3 311.470 2.223 20 0 DEADHO Brc1cccc([C@H]2CN(C[C@H]3CC[NH2+]C3)CCN2)c1 ZINC001235795745 1084531936 /nfs/dbraw/zinc/53/19/36/1084531936.db2.gz PPVOCWLTVLWNOB-SWLSCSKDSA-N 1 3 324.266 2.005 20 0 DEADHO CC(C)COc1ccc(CN2CCC[C@@H](N3CC([NH3+])C3)C2)cc1 ZINC001236073574 1084605044 /nfs/dbraw/zinc/60/50/44/1084605044.db2.gz PBAZPQIGTMNODK-GOSISDBHSA-N 1 3 317.477 2.329 20 0 DEADHO Cc1cccc(CN2CCC[C@@H](N3CC([NH3+])C3)C2)c1OC(C)C ZINC001236078197 1084607010 /nfs/dbraw/zinc/60/70/10/1084607010.db2.gz NQENEHZPAPZQDN-GOSISDBHSA-N 1 3 317.477 2.390 20 0 DEADHO CCOc1cc(CN2CCC[C@H](N3CC([NH3+])C3)C2)ccc1C ZINC001236080808 1084608665 /nfs/dbraw/zinc/60/86/65/1084608665.db2.gz XGINYEIBEPRPAU-KRWDZBQOSA-N 1 3 303.450 2.001 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@@H]([NH2+]CCC2CC2)C12CCC2 ZINC001078794510 1084898001 /nfs/dbraw/zinc/89/80/01/1084898001.db2.gz IINQLGGYVFVMMH-HZPDHXFCSA-N 1 3 316.449 2.078 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(F)c1)N(C)C ZINC001485920631 1084986235 /nfs/dbraw/zinc/98/62/35/1084986235.db2.gz RQBWVJMVRVULFA-RHSMWYFYSA-N 1 3 323.456 2.348 20 0 DEADHO CC(C)[NH2+][C@@H](C)CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001485921663 1084987595 /nfs/dbraw/zinc/98/75/95/1084987595.db2.gz BWKWOMRUFQSDQJ-BBRMVZONSA-N 1 3 301.450 2.044 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCCN1Cc1ccccc1 ZINC001486182152 1085110243 /nfs/dbraw/zinc/11/02/43/1085110243.db2.gz XMAGXDCSFSUXGN-AEFFLSMTSA-N 1 3 317.477 2.498 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC000960174702 1085138584 /nfs/dbraw/zinc/13/85/84/1085138584.db2.gz KYRMCPWAYJGHLE-TWMKSMIVSA-N 1 3 321.509 2.343 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC000960174702 1085138588 /nfs/dbraw/zinc/13/85/88/1085138588.db2.gz KYRMCPWAYJGHLE-TWMKSMIVSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)(C(=O)NCC1=CC[N@H+](CC2CC2)CC1)N1CCCCC1 ZINC001486505693 1085381108 /nfs/dbraw/zinc/38/11/08/1085381108.db2.gz FXYBJKCTKZHTLC-UHFFFAOYSA-N 1 3 319.493 2.409 20 0 DEADHO CC(C)(C(=O)NCC1=CC[N@@H+](CC2CC2)CC1)N1CCCCC1 ZINC001486505693 1085381114 /nfs/dbraw/zinc/38/11/14/1085381114.db2.gz FXYBJKCTKZHTLC-UHFFFAOYSA-N 1 3 319.493 2.409 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCC1)C1CC1 ZINC000960679580 1085411569 /nfs/dbraw/zinc/41/15/69/1085411569.db2.gz JFVJZXPYMSIWRC-DLBZAZTESA-N 1 3 307.482 2.050 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC1)C1CC1 ZINC000960679580 1085411570 /nfs/dbraw/zinc/41/15/70/1085411570.db2.gz JFVJZXPYMSIWRC-DLBZAZTESA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccccc1)N(C)C ZINC000960872517 1085489490 /nfs/dbraw/zinc/48/94/90/1085489490.db2.gz CKZWNZXIQPXMEW-ROUUACIJSA-N 1 3 317.477 2.450 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccccc1)N(C)C ZINC000960872517 1085489493 /nfs/dbraw/zinc/48/94/93/1085489493.db2.gz CKZWNZXIQPXMEW-ROUUACIJSA-N 1 3 317.477 2.450 20 0 DEADHO CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961229137 1085645949 /nfs/dbraw/zinc/64/59/49/1085645949.db2.gz HOPQFFPKXJVKDK-IAGOWNOFSA-N 1 3 321.509 2.299 20 0 DEADHO CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961229137 1085645957 /nfs/dbraw/zinc/64/59/57/1085645957.db2.gz HOPQFFPKXJVKDK-IAGOWNOFSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NC1CC(C[NH2+]CC2CCCC2)C1 ZINC000962307421 1086060706 /nfs/dbraw/zinc/06/07/06/1086060706.db2.gz RINZEKJBUXIWFD-ODIFPOPNSA-N 1 3 307.482 2.145 20 0 DEADHO Cc1cc(-c2ccccc2)nc(NC(=N)N2CC[NH+](C)CC2)n1 ZINC001168735310 1086092200 /nfs/dbraw/zinc/09/22/00/1086092200.db2.gz NNEZYCPTGUCADB-UHFFFAOYSA-N 1 3 310.405 2.046 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1cc(C)ccc1C ZINC001168747944 1086238906 /nfs/dbraw/zinc/23/89/06/1086238906.db2.gz TWOFOQVNMMRRIN-UHFFFAOYSA-N 1 3 305.466 2.241 20 0 DEADHO CN1CCCC[C@@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000700798732 1086333817 /nfs/dbraw/zinc/33/38/17/1086333817.db2.gz BKHZIOJYNABBQN-GJZGRUSLSA-N 1 3 311.470 2.317 20 0 DEADHO C[N@@H+]1CCCC[C@@H](CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000700798732 1086333827 /nfs/dbraw/zinc/33/38/27/1086333827.db2.gz BKHZIOJYNABBQN-GJZGRUSLSA-N 1 3 311.470 2.317 20 0 DEADHO C[N@H+]1CCCC[C@@H](CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000700798732 1086333841 /nfs/dbraw/zinc/33/38/41/1086333841.db2.gz BKHZIOJYNABBQN-GJZGRUSLSA-N 1 3 311.470 2.317 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963315845 1086404637 /nfs/dbraw/zinc/40/46/37/1086404637.db2.gz ZWZNVIXRVOBRBB-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963315845 1086404645 /nfs/dbraw/zinc/40/46/45/1086404645.db2.gz ZWZNVIXRVOBRBB-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([C@H]2CCC[N@H+]2CCCF)C1 ZINC000963367692 1086428348 /nfs/dbraw/zinc/42/83/48/1086428348.db2.gz RTDAXQDZISOEGA-GDBMZVCRSA-N 1 3 322.428 2.015 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CCCF)C1 ZINC000963367692 1086428353 /nfs/dbraw/zinc/42/83/53/1086428353.db2.gz RTDAXQDZISOEGA-GDBMZVCRSA-N 1 3 322.428 2.015 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+][C@@H](C)c1ccccc1C ZINC001168754900 1086477855 /nfs/dbraw/zinc/47/78/55/1086477855.db2.gz DINLCGJYLDQDRZ-INIZCTEOSA-N 1 3 305.466 2.494 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+]CCCCc1ccccc1 ZINC001168755275 1086499701 /nfs/dbraw/zinc/49/97/01/1086499701.db2.gz LOAOEZLHLNRHQG-UHFFFAOYSA-N 1 3 319.493 2.447 20 0 DEADHO CN(C)CCN1CC[C@]2(CC[N@H+](CCC3CCCC3)C2)C1=O ZINC001273166157 1087130551 /nfs/dbraw/zinc/13/05/51/1087130551.db2.gz IGBNZHXGSNBPGP-SFHVURJKSA-N 1 3 307.482 2.053 20 0 DEADHO CN(C)CCN1CC[C@]2(CC[N@@H+](CCC3CCCC3)C2)C1=O ZINC001273166157 1087130556 /nfs/dbraw/zinc/13/05/56/1087130556.db2.gz IGBNZHXGSNBPGP-SFHVURJKSA-N 1 3 307.482 2.053 20 0 DEADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CCN(CC3CCCC3)CC2)C1 ZINC000957325590 1088173870 /nfs/dbraw/zinc/17/38/70/1088173870.db2.gz QGCMBJUUGFDJJO-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000957517337 1088370325 /nfs/dbraw/zinc/37/03/25/1088370325.db2.gz OGTQXSLZAVZCGY-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21 ZINC001114831937 1088918096 /nfs/dbraw/zinc/91/80/96/1088918096.db2.gz INCARZWDQVFBMI-CBZIJGRNSA-N 1 3 321.509 2.343 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21 ZINC001114831937 1088918115 /nfs/dbraw/zinc/91/81/15/1088918115.db2.gz INCARZWDQVFBMI-CBZIJGRNSA-N 1 3 321.509 2.343 20 0 DEADHO CC[NH2+]C[C@H]1c2ccccc2CCN1C(=O)[C@@H](C(C)C)N(C)C ZINC000958800169 1089190782 /nfs/dbraw/zinc/19/07/82/1089190782.db2.gz ZKVKFNZMRIVVLS-ZWKOTPCHSA-N 1 3 317.477 2.308 20 0 DEADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCC1CCCC1 ZINC001082559683 1090006546 /nfs/dbraw/zinc/00/65/46/1090006546.db2.gz MFERGXUHKIMRIS-ZTFGCOKTSA-N 1 3 321.509 2.343 20 0 DEADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]Cc1ccsc1 ZINC001082559764 1090007677 /nfs/dbraw/zinc/00/76/77/1090007677.db2.gz ORSVRNXNUZUMDK-DAXOMENPSA-N 1 3 321.490 2.025 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2=CCCCC2)C1)N(C)C ZINC001082747441 1090053919 /nfs/dbraw/zinc/05/39/19/1090053919.db2.gz SUFKPOLCQBKROB-OIISXLGYSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)(C(=O)N1C[C@H]2CC[N@H+](CCC3CC3)C[C@H]21)N1CCCC1 ZINC001084571862 1090329978 /nfs/dbraw/zinc/32/99/78/1090329978.db2.gz IVUWZQAZVFRGDH-IAGOWNOFSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)(C(=O)N1C[C@H]2CC[N@@H+](CCC3CC3)C[C@H]21)N1CCCC1 ZINC001084571862 1090329987 /nfs/dbraw/zinc/32/99/87/1090329987.db2.gz IVUWZQAZVFRGDH-IAGOWNOFSA-N 1 3 319.493 2.194 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001410442502 1090678001 /nfs/dbraw/zinc/67/80/01/1090678001.db2.gz SSVQNLIQYHAWFM-RDJZCZTQSA-N 1 3 317.477 2.273 20 0 DEADHO C[C@@H](NC/C=C\CNC(=O)CC[NH+](C)C)c1cccc(F)c1 ZINC001274330647 1091189088 /nfs/dbraw/zinc/18/90/88/1091189088.db2.gz DURUMYBYKXALLS-ZRUQZJFASA-N 1 3 307.413 2.100 20 0 DEADHO CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001274512255 1091276561 /nfs/dbraw/zinc/27/65/61/1091276561.db2.gz VNNQGVBMUXJQJD-JTGQJZMRSA-N 1 3 303.450 2.097 20 0 DEADHO CC[C@@H](F)C[NH+]1CCC([C@@H](C)NC(=O)[C@H](CC)N(C)C)CC1 ZINC001411233539 1091448433 /nfs/dbraw/zinc/44/84/33/1091448433.db2.gz JPOMWUKUJXBHGX-BMFZPTHFSA-N 1 3 315.477 2.291 20 0 DEADHO Cc1n[nH]cc1C[N@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001276067160 1091504942 /nfs/dbraw/zinc/50/49/42/1091504942.db2.gz BAHPJPGHVVONHW-IYBDPMFKSA-N 1 3 313.449 2.390 20 0 DEADHO Cc1n[nH]cc1C[N@@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001276067160 1091504949 /nfs/dbraw/zinc/50/49/49/1091504949.db2.gz BAHPJPGHVVONHW-IYBDPMFKSA-N 1 3 313.449 2.390 20 0 DEADHO CCC(CC)C[NH+]1CCC2(CCN(CC(=O)N(C)C)C2)CC1 ZINC001275069318 1091539032 /nfs/dbraw/zinc/53/90/32/1091539032.db2.gz ISKKDKBETWLKOE-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO c1c[nH]c(CN2CC[C@H]3C[N@@H+](Cc4ccncn4)C[C@H]3CC2)c1 ZINC001275222404 1091622102 /nfs/dbraw/zinc/62/21/02/1091622102.db2.gz RMXWGIMVNLQXMF-IYBDPMFKSA-N 1 3 311.433 2.149 20 0 DEADHO c1c[nH]c(CN2CC[C@H]3C[N@H+](Cc4ccncn4)C[C@H]3CC2)c1 ZINC001275222404 1091622103 /nfs/dbraw/zinc/62/21/03/1091622103.db2.gz RMXWGIMVNLQXMF-IYBDPMFKSA-N 1 3 311.433 2.149 20 0 DEADHO CN(C)CC[N@@H+]1CCC2(C1)CCN(Cc1ccncc1F)CC2 ZINC001276297383 1091770526 /nfs/dbraw/zinc/77/05/26/1091770526.db2.gz MMRUIHHAVFKDKX-UHFFFAOYSA-N 1 3 320.456 2.070 20 0 DEADHO CN(C)CC[N@H+]1CCC2(C1)CCN(Cc1ccncc1F)CC2 ZINC001276297383 1091770529 /nfs/dbraw/zinc/77/05/29/1091770529.db2.gz MMRUIHHAVFKDKX-UHFFFAOYSA-N 1 3 320.456 2.070 20 0 DEADHO C[NH+](C)CCCCC(=O)N[C@H]1CCCN(C/C=C\Cl)CC1 ZINC001273468189 1091862028 /nfs/dbraw/zinc/86/20/28/1091862028.db2.gz XLGVORBMFLKNIY-MLBQELRYSA-N 1 3 315.889 2.442 20 0 DEADHO CCN(CCNCCF)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001273568815 1091926872 /nfs/dbraw/zinc/92/68/72/1091926872.db2.gz CCEYVQPQFAMTSA-INIZCTEOSA-N 1 3 313.461 2.191 20 0 DEADHO CCN(CCNCCF)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001273568815 1091926880 /nfs/dbraw/zinc/92/68/80/1091926880.db2.gz CCEYVQPQFAMTSA-INIZCTEOSA-N 1 3 313.461 2.191 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N(C)[C@@H]1CCC[N@H+](CCCF)CC1 ZINC000948775687 1091931519 /nfs/dbraw/zinc/93/15/19/1091931519.db2.gz OIDDMNSNCCGLNI-HZPDHXFCSA-N 1 3 313.461 2.143 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N(C)[C@@H]1CCC[N@@H+](CCCF)CC1 ZINC000948775687 1091931526 /nfs/dbraw/zinc/93/15/26/1091931526.db2.gz OIDDMNSNCCGLNI-HZPDHXFCSA-N 1 3 313.461 2.143 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CCC(C)(C)C)C1)C1CC1 ZINC001190653131 1091949625 /nfs/dbraw/zinc/94/96/25/1091949625.db2.gz CEHMJIPXNCDLNZ-HOTGVXAUSA-N 1 3 309.498 2.296 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCC(C)(C)C)C1)C1CC1 ZINC001190653131 1091949632 /nfs/dbraw/zinc/94/96/32/1091949632.db2.gz CEHMJIPXNCDLNZ-HOTGVXAUSA-N 1 3 309.498 2.296 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCC(C)(C)C)C1)C1CC1 ZINC001190653133 1091950038 /nfs/dbraw/zinc/95/00/38/1091950038.db2.gz CEHMJIPXNCDLNZ-HZPDHXFCSA-N 1 3 309.498 2.296 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCC(C)(C)C)C1)C1CC1 ZINC001190653133 1091950049 /nfs/dbraw/zinc/95/00/49/1091950049.db2.gz CEHMJIPXNCDLNZ-HZPDHXFCSA-N 1 3 309.498 2.296 20 0 DEADHO CCC[N@@H+]1CCC[C@H](N(C)C(=O)CN2CCC(C)CC2)CC1 ZINC000948886243 1091980609 /nfs/dbraw/zinc/98/06/09/1091980609.db2.gz LGFTWEYNFJIECI-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@H+]1CCC[C@H](N(C)C(=O)CN2CCC(C)CC2)CC1 ZINC000948886243 1091980615 /nfs/dbraw/zinc/98/06/15/1091980615.db2.gz LGFTWEYNFJIECI-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001275819136 1092175372 /nfs/dbraw/zinc/17/53/72/1092175372.db2.gz ZXSDPCRXBOINAU-LSDHHAIUSA-N 1 3 306.454 2.325 20 0 DEADHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(Cc1ccc(Cl)cc1)C2 ZINC001275829909 1092193970 /nfs/dbraw/zinc/19/39/70/1092193970.db2.gz HAEHZIZOGABKAM-WBVHZDCISA-N 1 3 307.869 2.408 20 0 DEADHO C[C@H]([NH2+]CCCN(C)C(=O)[C@H]1CCCN1C)c1cccc(F)c1 ZINC001275914700 1092300794 /nfs/dbraw/zinc/30/07/94/1092300794.db2.gz AOQGHSJTZDDWCA-WMLDXEAASA-N 1 3 321.440 2.419 20 0 DEADHO c1cc(CN2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)co1 ZINC001275943749 1092359801 /nfs/dbraw/zinc/35/98/01/1092359801.db2.gz QESOQIVJFKPTET-UHFFFAOYSA-N 1 3 300.406 2.491 20 0 DEADHO c1cc(CN2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)co1 ZINC001275943749 1092359808 /nfs/dbraw/zinc/35/98/08/1092359808.db2.gz QESOQIVJFKPTET-UHFFFAOYSA-N 1 3 300.406 2.491 20 0 DEADHO Cc1cc(C[N@H+]2CC[C@]3(CCN(CCN(C)C)C3=O)C2)cs1 ZINC001273943273 1092528159 /nfs/dbraw/zinc/52/81/59/1092528159.db2.gz YOIHYFFUJPYRKM-KRWDZBQOSA-N 1 3 321.490 2.043 20 0 DEADHO Cc1cc(C[N@@H+]2CC[C@]3(CCN(CCN(C)C)C3=O)C2)cs1 ZINC001273943273 1092528171 /nfs/dbraw/zinc/52/81/71/1092528171.db2.gz YOIHYFFUJPYRKM-KRWDZBQOSA-N 1 3 321.490 2.043 20 0 DEADHO CC/C=C/CC[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001488967017 1092855744 /nfs/dbraw/zinc/85/57/44/1092855744.db2.gz ZJLQLKBSDQKOSV-CGFBPQRUSA-N 1 3 318.465 2.491 20 0 DEADHO C[N@H+](CCC1CC1)C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001489339015 1093027486 /nfs/dbraw/zinc/02/74/86/1093027486.db2.gz OMOKLSZOCCQMBN-INIZCTEOSA-N 1 3 304.438 2.065 20 0 DEADHO C[N@@H+](CCC1CC1)C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001489339015 1093027491 /nfs/dbraw/zinc/02/74/91/1093027491.db2.gz OMOKLSZOCCQMBN-INIZCTEOSA-N 1 3 304.438 2.065 20 0 DEADHO CC(C)[C@H](C(=O)NCCC[N@H+](C)CC1CC(F)(F)C1)N(C)C ZINC001490270709 1093268953 /nfs/dbraw/zinc/26/89/53/1093268953.db2.gz FTJSMUXMIMOWBM-CQSZACIVSA-N 1 3 319.440 2.056 20 0 DEADHO CC(C)[C@H](C(=O)NCCC[N@@H+](C)CC1CC(F)(F)C1)N(C)C ZINC001490270709 1093268958 /nfs/dbraw/zinc/26/89/58/1093268958.db2.gz FTJSMUXMIMOWBM-CQSZACIVSA-N 1 3 319.440 2.056 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)C/C=C/Cl)C1 ZINC001490752849 1093505964 /nfs/dbraw/zinc/50/59/64/1093505964.db2.gz PYKJOVFRSAETFR-QKNOVVFDSA-N 1 3 313.873 2.004 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)C/C=C/Cl)C1 ZINC001490752849 1093505972 /nfs/dbraw/zinc/50/59/72/1093505972.db2.gz PYKJOVFRSAETFR-QKNOVVFDSA-N 1 3 313.873 2.004 20 0 DEADHO [NH3+]CCCCN1CCN[C@H](c2cccc(Br)c2)C1 ZINC001235796737 1138332634 /nfs/dbraw/zinc/33/26/34/1138332634.db2.gz VESCDWZXZGUXDR-AWEZNQCLSA-N 1 3 312.255 2.134 20 0 DEADHO c1n[nH]cc1CN[C@@]12CC[C@@]([NH2+]CCN3CCCC3)(C1)CCC2 ZINC001278060698 1138514935 /nfs/dbraw/zinc/51/49/35/1138514935.db2.gz WULHCRQLJXNPAW-MSOLQXFVSA-N 1 3 317.481 2.030 20 0 DEADHO COc1cc(CN2CCC3(C2)CC[NH+](C)CC3)cc(OC)n1 ZINC001237568234 1138686373 /nfs/dbraw/zinc/68/63/73/1138686373.db2.gz MEOXOCOALIEPID-UHFFFAOYSA-N 1 3 305.422 2.017 20 0 DEADHO C[NH+]1CCC(C2CCN(Cc3cccc(C(N)=O)c3)CC2)CC1 ZINC001237695955 1138759870 /nfs/dbraw/zinc/75/98/70/1138759870.db2.gz VHPDVRAIZQZGEE-UHFFFAOYSA-N 1 3 315.461 2.339 20 0 DEADHO CC[NH+](CC)CCn1cc(-c2cc(CN(C)C)ccn2)cn1 ZINC001239199971 1138978172 /nfs/dbraw/zinc/97/81/72/1138978172.db2.gz BXPSWRVZRQTDHS-UHFFFAOYSA-N 1 3 301.438 2.349 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CC2CCC2)CN1C(=O)CN(C)CC(C)(C)C ZINC001369407063 1148942718 /nfs/dbraw/zinc/94/27/18/1148942718.db2.gz RRRZOWGFHJWNMO-HOCLYGCPSA-N 1 3 309.498 2.343 20 0 DEADHO NCCC[NH2+]CCCNC(=S)Nc1ccc(F)c(Cl)c1 ZINC001239396245 1139034034 /nfs/dbraw/zinc/03/40/34/1139034034.db2.gz FIMGCKUQQZQHRW-UHFFFAOYSA-N 1 3 318.849 2.094 20 0 DEADHO O=c1ccoc2ccc(-c3cc(N4CC[NH2+]CC4)ccn3)cc12 ZINC001240970139 1139709016 /nfs/dbraw/zinc/70/90/16/1139709016.db2.gz YEIXHJVRHDPDEL-UHFFFAOYSA-N 1 3 307.353 2.265 20 0 DEADHO CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001278326746 1139760472 /nfs/dbraw/zinc/76/04/72/1139760472.db2.gz URJFGWGIHMIBJE-JOGGYFKDSA-N 1 3 307.482 2.408 20 0 DEADHO CCCC[C@@H](Cc1ccccc1)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246084507 1140858192 /nfs/dbraw/zinc/85/81/92/1140858192.db2.gz TUTFEJWORZWCJK-OKZBNKHCSA-N 1 3 308.441 2.440 20 0 DEADHO C[C@H]1CC[C@@H](NCCSCc2ccc(CN(C)C)o2)C[NH2+]1 ZINC001246081822 1140858466 /nfs/dbraw/zinc/85/84/66/1140858466.db2.gz IHMHTGLOKLGNQM-UONOGXRCSA-N 1 3 311.495 2.305 20 0 DEADHO C[C@@H]1CC[C@H](CN[C@H]2CCCN(C(=O)c3ccccc3)C2)C[NH2+]1 ZINC001246096958 1140861129 /nfs/dbraw/zinc/86/11/29/1140861129.db2.gz NUWRQSNYMPJHNC-RYRKJORJSA-N 1 3 315.461 2.269 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]C2CCN(CC(=O)c3ccccc3)CC2)CCN1 ZINC001246359966 1140888388 /nfs/dbraw/zinc/88/83/88/1140888388.db2.gz QBAFBTHFJXKTQB-CRAIPNDOSA-N 1 3 315.461 2.064 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC2(Cc3ccccn3)CCOCC2)CCN1 ZINC001246386197 1140892611 /nfs/dbraw/zinc/89/26/11/1140892611.db2.gz GADSZTOMJVEHBG-HZPDHXFCSA-N 1 3 303.450 2.151 20 0 DEADHO Cc1ccnc(C2(CN[C@@H]3CC[NH2+][C@H](C)C3)CCOCC2)c1 ZINC001246389571 1140892898 /nfs/dbraw/zinc/89/28/98/1140892898.db2.gz OAYBGNXHDPVZOA-HZPDHXFCSA-N 1 3 303.450 2.168 20 0 DEADHO Cc1ccnc(C2(C[NH2+][C@@H]3CCN[C@H](C)C3)CCOCC2)c1 ZINC001246389571 1140892899 /nfs/dbraw/zinc/89/28/99/1140892899.db2.gz OAYBGNXHDPVZOA-HZPDHXFCSA-N 1 3 303.450 2.168 20 0 DEADHO COc1ccccc1CC1(C[NH2+]C2CCNCC2)CCOCC1 ZINC001246411868 1140895507 /nfs/dbraw/zinc/89/55/07/1140895507.db2.gz RDQDFYVAYJPTOQ-UHFFFAOYSA-N 1 3 318.461 2.376 20 0 DEADHO COc1ccccc1CC1([NH2+]C2CCNCC2)CCOCC1 ZINC001246414087 1140895729 /nfs/dbraw/zinc/89/57/29/1140895729.db2.gz ZAPZSDFLWAVYBE-UHFFFAOYSA-N 1 3 304.434 2.129 20 0 DEADHO Cc1ccc(SC[C@H](C)[NH2+]CCCC[C@H](N)C(N)=O)cc1 ZINC001246419381 1140896701 /nfs/dbraw/zinc/89/67/01/1140896701.db2.gz URCLHJVLWBRBRE-ZFWWWQNUSA-N 1 3 309.479 2.048 20 0 DEADHO C1[C@@H]([NH2+]C2CCC(C3CCC4(CC3)OCCO4)CC2)C12CNC2 ZINC001246442532 1140899411 /nfs/dbraw/zinc/89/94/11/1140899411.db2.gz CYSYCOCXNKNCBS-BDVYOWHSSA-N 1 3 320.477 2.430 20 0 DEADHO C1[C@@H](NC2CCC(C3CCC4(CC3)OCCO4)CC2)C12C[NH2+]C2 ZINC001246442532 1140899413 /nfs/dbraw/zinc/89/94/13/1140899413.db2.gz CYSYCOCXNKNCBS-BDVYOWHSSA-N 1 3 320.477 2.430 20 0 DEADHO CCN(CC[NH2+]CC1CCCCC1)C(=O)CN1CC[C@@H](C)C1 ZINC001320839471 1140949218 /nfs/dbraw/zinc/94/92/18/1140949218.db2.gz FBLWOYPRNTXFPV-MRXNPFEDSA-N 1 3 309.498 2.347 20 0 DEADHO [NH3+][C@H]1CCCN(C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC001246547508 1140949572 /nfs/dbraw/zinc/94/95/72/1140949572.db2.gz QGLOBLQQSFVSHK-INIZCTEOSA-N 1 3 301.434 2.104 20 0 DEADHO CCN(CC[NH2+]C/C=C\Cl)C(=O)[C@H]1CCCCN1CC ZINC001320929608 1140996530 /nfs/dbraw/zinc/99/65/30/1140996530.db2.gz TXYQLJXDFIYTMX-IUCKJTJTSA-N 1 3 301.862 2.051 20 0 DEADHO CCC[C@H](C)CC[C@@H](C)[N@@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246624891 1141008798 /nfs/dbraw/zinc/00/87/98/1141008798.db2.gz GNLYPHSOFSUIGA-HDMKZQKVSA-N 1 3 307.482 2.003 20 0 DEADHO CCC[C@H](C)CC[C@@H](C)[N@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246624891 1141008809 /nfs/dbraw/zinc/00/88/09/1141008809.db2.gz GNLYPHSOFSUIGA-HDMKZQKVSA-N 1 3 307.482 2.003 20 0 DEADHO CC(C)(C)C1CCC([N@@H+]2CC3(CNC3)[C@@]3(CCNC3=O)C2)CC1 ZINC001246629928 1141013418 /nfs/dbraw/zinc/01/34/18/1141013418.db2.gz QUUJPUAJDOFRCO-ZOJXTTQQSA-N 1 3 319.493 2.003 20 0 DEADHO CC(C)(C)C1CCC([N@H+]2CC3(CNC3)[C@@]3(CCNC3=O)C2)CC1 ZINC001246629928 1141013432 /nfs/dbraw/zinc/01/34/32/1141013432.db2.gz QUUJPUAJDOFRCO-ZOJXTTQQSA-N 1 3 319.493 2.003 20 0 DEADHO CC(C)(C)C1CCC([N@@H+]2CC3(CNC3)[C@]3(CCNC3=O)C2)CC1 ZINC001246629926 1141014265 /nfs/dbraw/zinc/01/42/65/1141014265.db2.gz QUUJPUAJDOFRCO-JFIBYHEFSA-N 1 3 319.493 2.003 20 0 DEADHO CC(C)(C)C1CCC([N@H+]2CC3(CNC3)[C@]3(CCNC3=O)C2)CC1 ZINC001246629926 1141014275 /nfs/dbraw/zinc/01/42/75/1141014275.db2.gz QUUJPUAJDOFRCO-JFIBYHEFSA-N 1 3 319.493 2.003 20 0 DEADHO CC[C@H](Cc1ccc2c(c1)OCO2)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246648624 1141025386 /nfs/dbraw/zinc/02/53/86/1141025386.db2.gz RAVGOIXTWIRRKC-OWCLPIDISA-N 1 3 302.418 2.278 20 0 DEADHO Clc1ccc([C@@H]2CN(C3C[C@@H]4C=C[C@H](C3)[NH2+]4)CCN2)cc1 ZINC001246806977 1141068182 /nfs/dbraw/zinc/06/81/82/1141068182.db2.gz DXAALAXDBAFRRD-WFVVYAPDSA-N 1 3 303.837 2.345 20 0 DEADHO CC[C@H]1CC(N2C[C@@H]3CC[C@H](C2)C3C(=O)OC)C[C@H](CC)[NH2+]1 ZINC001246828180 1141076354 /nfs/dbraw/zinc/07/63/54/1141076354.db2.gz ZGWXGNPNEUHASK-QFBCABTNSA-N 1 3 308.466 2.427 20 0 DEADHO CC[C@H](C(=O)NC/C=C\C[NH2+]CC1CCC(C)CC1)N(C)C ZINC001321340692 1141182496 /nfs/dbraw/zinc/18/24/96/1141182496.db2.gz YGNSJONZYZNQHJ-GLFNWFFDSA-N 1 3 309.498 2.415 20 0 DEADHO FC(F)(F)c1ccc(-c2noc([C@@H]3CNCC34C[NH2+]C4)n2)cc1 ZINC001247830865 1141543486 /nfs/dbraw/zinc/54/34/86/1141543486.db2.gz PVEKOKKEFIWGIC-NSHDSACASA-N 1 3 324.306 2.032 20 0 DEADHO FC(F)(F)c1cccc(-c2noc([C@@H]3CNCC34C[NH2+]C4)n2)c1 ZINC001247831607 1141544224 /nfs/dbraw/zinc/54/42/24/1141544224.db2.gz UOWNJPDVBGQXQJ-NSHDSACASA-N 1 3 324.306 2.032 20 0 DEADHO CN(C)c1cc[nH+]cc1NC1=CC[C@H](N2CCOCC2)CC1 ZINC001249553783 1141899502 /nfs/dbraw/zinc/89/95/02/1141899502.db2.gz KSTZWPULEALAAR-HNNXBMFYSA-N 1 3 302.422 2.328 20 0 DEADHO COc1ccnc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC001252920128 1142830247 /nfs/dbraw/zinc/83/02/47/1142830247.db2.gz WIFWDFOKDFIMBI-SFHVURJKSA-N 1 3 313.401 2.139 20 0 DEADHO COc1ccnc(NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001252920128 1142830249 /nfs/dbraw/zinc/83/02/49/1142830249.db2.gz WIFWDFOKDFIMBI-SFHVURJKSA-N 1 3 313.401 2.139 20 0 DEADHO CC[NH+](CC)C[C@H](O)CNCC1(Cc2cccc(OC)c2)CC1 ZINC001253212018 1142854961 /nfs/dbraw/zinc/85/49/61/1142854961.db2.gz CRMVEADQWJBBNW-QGZVFWFLSA-N 1 3 320.477 2.310 20 0 DEADHO CC(C)(C)[NH2+]C[C@@H](O)CNC[C@@H](c1ccccc1)N1CCCC1 ZINC001253403823 1142869558 /nfs/dbraw/zinc/86/95/58/1142869558.db2.gz KSLOKNRLHNFHLQ-ROUUACIJSA-N 1 3 319.493 2.162 20 0 DEADHO CCC[NH+](CCC)CCN1CCN(C[C@@H](O)C(C)(C)C)CC1 ZINC001253730176 1142901324 /nfs/dbraw/zinc/90/13/24/1142901324.db2.gz PYOICYXGJIWJLR-QGZVFWFLSA-N 1 3 313.530 2.133 20 0 DEADHO Cc1ccc(OC[C@H](O)CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001253843910 1142983839 /nfs/dbraw/zinc/98/38/39/1142983839.db2.gz USJARCJTHYJCCG-XMTFNYHQSA-N 1 3 318.461 2.340 20 0 DEADHO Cc1ccc(OC[C@H](O)CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001253843910 1142983856 /nfs/dbraw/zinc/98/38/56/1142983856.db2.gz USJARCJTHYJCCG-XMTFNYHQSA-N 1 3 318.461 2.340 20 0 DEADHO OC1(C[NH+]2CCSCC2)CCN(Cc2ccccc2)CC1 ZINC001254034329 1143030136 /nfs/dbraw/zinc/03/01/36/1143030136.db2.gz BASDREGXYYAZHH-UHFFFAOYSA-N 1 3 306.475 2.062 20 0 DEADHO CCO[C@@H]1CC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254042693 1143030783 /nfs/dbraw/zinc/03/07/83/1143030783.db2.gz VYERZZUQCWFGNJ-GOSISDBHSA-N 1 3 318.461 2.124 20 0 DEADHO CCO[C@@H]1CC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254042693 1143030786 /nfs/dbraw/zinc/03/07/86/1143030786.db2.gz VYERZZUQCWFGNJ-GOSISDBHSA-N 1 3 318.461 2.124 20 0 DEADHO C[N@@H+]1CCC[C@H](N2CCC(NC(=O)CC(C)(C)C)CC2)CC1 ZINC001254532946 1143235723 /nfs/dbraw/zinc/23/57/23/1143235723.db2.gz YIMHZYOSXHFOPD-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO C[N@H+]1CCC[C@H](N2CCC(NC(=O)CC(C)(C)C)CC2)CC1 ZINC001254532946 1143235732 /nfs/dbraw/zinc/23/57/32/1143235732.db2.gz YIMHZYOSXHFOPD-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC[C@@H]1CCCN1C)C2 ZINC001255183097 1143473710 /nfs/dbraw/zinc/47/37/10/1143473710.db2.gz JMHVMYFVLKNHOO-YHUYYLMFSA-N 1 3 309.454 2.212 20 0 DEADHO OC1CC2(C1)C[NH+]([C@@H]1CCCN(Cc3ccccc3)CC1)C2 ZINC001255399690 1143597374 /nfs/dbraw/zinc/59/73/74/1143597374.db2.gz XNROFZJSDKBUIM-QGZVFWFLSA-N 1 3 300.446 2.498 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)NCCCCC[NH+]1CCCCC1 ZINC001342110097 1143790661 /nfs/dbraw/zinc/79/06/61/1143790661.db2.gz DJANNAUWYTURRT-QGZVFWFLSA-N 1 3 324.513 2.426 20 0 DEADHO CCOC(=O)NC1CCN(C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001255682794 1143802096 /nfs/dbraw/zinc/80/20/96/1143802096.db2.gz NMWSMEQFNCTOGP-XYPWUTKMSA-N 1 3 309.454 2.212 20 0 DEADHO CCOC(=O)NC1CCN(C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255682794 1143802097 /nfs/dbraw/zinc/80/20/97/1143802097.db2.gz NMWSMEQFNCTOGP-XYPWUTKMSA-N 1 3 309.454 2.212 20 0 DEADHO C[NH+](C)CCN1CCN([C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001255709756 1143803257 /nfs/dbraw/zinc/80/32/57/1143803257.db2.gz RWOOQPPSITVVJU-UONOGXRCSA-N 1 3 307.404 2.287 20 0 DEADHO CCN(CC)CC[C@H](C)[NH2+]CCCCCCN1C(=O)C=CC1=O ZINC001255944948 1143815903 /nfs/dbraw/zinc/81/59/03/1143815903.db2.gz IGNRTSZUFUGILI-INIZCTEOSA-N 1 3 323.481 2.182 20 0 DEADHO CC[NH+](CC)CC[C@H](C)N1C[C@@H]2C[C@H](C(=O)NC3CC3)C[C@@H]2C1 ZINC001255963013 1143817344 /nfs/dbraw/zinc/81/73/44/1143817344.db2.gz NDRSDSRCLQJTBC-LUKYLMHMSA-N 1 3 321.509 2.343 20 0 DEADHO CCN(CC)CC[C@H](C)[N@@H+]1C[C@@H]2C[C@H](C(=O)NC3CC3)C[C@@H]2C1 ZINC001255963013 1143817345 /nfs/dbraw/zinc/81/73/45/1143817345.db2.gz NDRSDSRCLQJTBC-LUKYLMHMSA-N 1 3 321.509 2.343 20 0 DEADHO CCN(CC)CC[C@H](C)[N@H+]1C[C@@H]2C[C@H](C(=O)NC3CC3)C[C@@H]2C1 ZINC001255963013 1143817346 /nfs/dbraw/zinc/81/73/46/1143817346.db2.gz NDRSDSRCLQJTBC-LUKYLMHMSA-N 1 3 321.509 2.343 20 0 DEADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC001342555945 1143823558 /nfs/dbraw/zinc/82/35/58/1143823558.db2.gz VOEPCZZZYNUIPX-UONOGXRCSA-N 1 3 324.856 2.034 20 0 DEADHO Fc1ccc(N(C2CC[NH2+]CC2)C2CCN(C3CC3)CC2)nc1 ZINC001256083024 1143829074 /nfs/dbraw/zinc/82/90/74/1143829074.db2.gz PDLKHZNKPSWQEA-UHFFFAOYSA-N 1 3 318.440 2.406 20 0 DEADHO C[NH+]1CCC(N2CCc3ncnc(-c4cccnc4)c3CC2)CC1 ZINC001256204724 1143835548 /nfs/dbraw/zinc/83/55/48/1143835548.db2.gz KCLFERPCSSHQKC-UHFFFAOYSA-N 1 3 323.444 2.033 20 0 DEADHO C[NH+]1CCC(N2CCc3ncnc(-c4ccncc4)c3CC2)CC1 ZINC001256208144 1143836106 /nfs/dbraw/zinc/83/61/06/1143836106.db2.gz XUXGELUIHHLKBT-UHFFFAOYSA-N 1 3 323.444 2.033 20 0 DEADHO CNC(=O)C[N@@H+]1CCCC12CCN([C@H](C)CCC(C)C)CC2 ZINC001256364720 1143844737 /nfs/dbraw/zinc/84/47/37/1143844737.db2.gz VJOKXHOXUNDHTO-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CNC(=O)C[N@H+]1CCCC12CCN([C@H](C)CCC(C)C)CC2 ZINC001256364720 1143844738 /nfs/dbraw/zinc/84/47/38/1143844738.db2.gz VJOKXHOXUNDHTO-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1C[C@@H](n2cc(CN)cnc2=N)CC[N@@H+]1Cc1ccccc1 ZINC001256530541 1143852279 /nfs/dbraw/zinc/85/22/79/1143852279.db2.gz CMZLCPMVUSBNAR-PBHICJAKSA-N 1 3 311.433 2.047 20 0 DEADHO C[C@@H]1C[C@@H](n2cc(CN)cnc2=N)CC[N@H+]1Cc1ccccc1 ZINC001256530541 1143852280 /nfs/dbraw/zinc/85/22/80/1143852280.db2.gz CMZLCPMVUSBNAR-PBHICJAKSA-N 1 3 311.433 2.047 20 0 DEADHO CC(C)[N@H+](C)[C@H]1CCN(C2CCN(Cc3ccncc3)CC2)C1 ZINC001256596509 1143856561 /nfs/dbraw/zinc/85/65/61/1143856561.db2.gz LYYCPPVUUZYZTN-IBGZPJMESA-N 1 3 316.493 2.461 20 0 DEADHO CC(C)[N@@H+](C)[C@H]1CCN(C2CCN(Cc3ccncc3)CC2)C1 ZINC001256596509 1143856564 /nfs/dbraw/zinc/85/65/64/1143856564.db2.gz LYYCPPVUUZYZTN-IBGZPJMESA-N 1 3 316.493 2.461 20 0 DEADHO CC(C)N(C)[C@H]1CC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC001256596509 1143856565 /nfs/dbraw/zinc/85/65/65/1143856565.db2.gz LYYCPPVUUZYZTN-IBGZPJMESA-N 1 3 316.493 2.461 20 0 DEADHO CC(C)N(C)[C@H]1CC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC001256596509 1143856567 /nfs/dbraw/zinc/85/65/67/1143856567.db2.gz LYYCPPVUUZYZTN-IBGZPJMESA-N 1 3 316.493 2.461 20 0 DEADHO c1ccc2c(c1)OC[C@H]2[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256682720 1143861833 /nfs/dbraw/zinc/86/18/33/1143861833.db2.gz NRKUJDWCILDNMV-VMBOVVBDSA-N 1 3 302.418 2.353 20 0 DEADHO c1cnc2c(c1)[C@@H]([NH2+]C1CCC(N3CCOCC3)CC1)CC2 ZINC001256684508 1143862060 /nfs/dbraw/zinc/86/20/60/1143862060.db2.gz QVJFFPKMFXEZEK-JMLCCBQJSA-N 1 3 301.434 2.302 20 0 DEADHO c1ncn(C2CCC2)c1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256685311 1143862160 /nfs/dbraw/zinc/86/21/60/1143862160.db2.gz CXKWDKMKCAQCGQ-UHFFFAOYSA-N 1 3 318.465 2.341 20 0 DEADHO CCOc1cc(CNC2CCN(c3cc[nH+]cc3)CC2)ncn1 ZINC001256853931 1143871067 /nfs/dbraw/zinc/87/10/67/1143871067.db2.gz BRNOHFMUHNOCJS-UHFFFAOYSA-N 1 3 313.405 2.029 20 0 DEADHO [NH3+]C1(c2cccnc2)CCN(C2CCC3(COC3)CC2)CC1 ZINC001257902583 1143959212 /nfs/dbraw/zinc/95/92/12/1143959212.db2.gz IJMLRNCTUXVEIW-UHFFFAOYSA-N 1 3 301.434 2.291 20 0 DEADHO COC(=O)CC[C@@H](C)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001258356700 1143995358 /nfs/dbraw/zinc/99/53/58/1143995358.db2.gz ASHHYWKNGBRXSA-OAHLLOKOSA-N 1 3 319.449 2.225 20 0 DEADHO CCC[NH+]1CCC(N[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC001258769822 1144039158 /nfs/dbraw/zinc/03/91/58/1144039158.db2.gz LGGQCFITOZRBSA-GOSISDBHSA-N 1 3 315.461 2.365 20 0 DEADHO COc1cc(C[C@H](C)N(C)C[C@@H](C)C[NH3+])cc(OC)c1OC ZINC001258861853 1144048222 /nfs/dbraw/zinc/04/82/22/1144048222.db2.gz LBZASDWJKYKPOB-STQMWFEESA-N 1 3 310.438 2.170 20 0 DEADHO COc1cc(C[C@H](C)[N@H+](C)C[C@@H](C)CN)cc(OC)c1OC ZINC001258861853 1144048225 /nfs/dbraw/zinc/04/82/25/1144048225.db2.gz LBZASDWJKYKPOB-STQMWFEESA-N 1 3 310.438 2.170 20 0 DEADHO COc1cc(C[C@H](C)[N@@H+](C)C[C@@H](C)CN)cc(OC)c1OC ZINC001258861853 1144048230 /nfs/dbraw/zinc/04/82/30/1144048230.db2.gz LBZASDWJKYKPOB-STQMWFEESA-N 1 3 310.438 2.170 20 0 DEADHO CCCCCCN1CC[C@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001263809833 1144397959 /nfs/dbraw/zinc/39/79/59/1144397959.db2.gz PNWYIWADZRHYCQ-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CC[N@H+](CCCNC(=O)CN1CC[C@H](C)C1)Cc1ccccc1 ZINC001265134460 1144651258 /nfs/dbraw/zinc/65/12/58/1144651258.db2.gz VPYCIMJWLBEUPF-KRWDZBQOSA-N 1 3 317.477 2.357 20 0 DEADHO CC[N@@H+](CCCNC(=O)CN1CC[C@H](C)C1)Cc1ccccc1 ZINC001265134460 1144651260 /nfs/dbraw/zinc/65/12/60/1144651260.db2.gz VPYCIMJWLBEUPF-KRWDZBQOSA-N 1 3 317.477 2.357 20 0 DEADHO CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC=C(C)C)N(C)C ZINC001265517653 1144708677 /nfs/dbraw/zinc/70/86/77/1144708677.db2.gz JEACYQQQKAGSIZ-HMQMGEFJSA-N 1 3 307.482 2.404 20 0 DEADHO CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC=C(C)C)N(C)C ZINC001265517653 1144708678 /nfs/dbraw/zinc/70/86/78/1144708678.db2.gz JEACYQQQKAGSIZ-HMQMGEFJSA-N 1 3 307.482 2.404 20 0 DEADHO CN1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1C/C=C\Cl ZINC001266204544 1144814030 /nfs/dbraw/zinc/81/40/30/1144814030.db2.gz WQYXNZGIWDFBOF-LGIYYPAKSA-N 1 3 313.873 2.194 20 0 DEADHO CN1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1C/C=C\Cl ZINC001266204544 1144814031 /nfs/dbraw/zinc/81/40/31/1144814031.db2.gz WQYXNZGIWDFBOF-LGIYYPAKSA-N 1 3 313.873 2.194 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCCC[C@]23CCOC3)CC1 ZINC001365350684 1145855254 /nfs/dbraw/zinc/85/52/54/1145855254.db2.gz IICBNDPTFMFCIO-GOSISDBHSA-N 1 3 309.498 2.048 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCCC[C@]23CCOC3)CC1 ZINC001365350684 1145855255 /nfs/dbraw/zinc/85/52/55/1145855255.db2.gz IICBNDPTFMFCIO-GOSISDBHSA-N 1 3 309.498 2.048 20 0 DEADHO C[C@@H]1CCC[C@@](CNC(=O)NC[C@H]2CCCCN2C)([NH+](C)C)C1 ZINC001365550644 1145891126 /nfs/dbraw/zinc/89/11/26/1145891126.db2.gz IMFBLWRSMLAREH-JFIYKMOQSA-N 1 3 324.513 2.280 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CCC2CCCC2)C1)N(C)C ZINC001491834452 1146908060 /nfs/dbraw/zinc/90/80/60/1146908060.db2.gz HJKJXNPNBBDJGL-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001365994469 1146997197 /nfs/dbraw/zinc/99/71/97/1146997197.db2.gz ISOBUZVUQFBNQG-MRXNPFEDSA-N 1 3 323.506 2.397 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001365994469 1146997209 /nfs/dbraw/zinc/99/72/09/1146997209.db2.gz ISOBUZVUQFBNQG-MRXNPFEDSA-N 1 3 323.506 2.397 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]CC1CC2(CCC2)C1)C1CC1)N(C)C ZINC001366050992 1147028644 /nfs/dbraw/zinc/02/86/44/1147028644.db2.gz AYTDUGPCIPJDEZ-SJORKVTESA-N 1 3 321.509 2.391 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C1CC1)N(C)C ZINC001366053323 1147029314 /nfs/dbraw/zinc/02/93/14/1147029314.db2.gz BAVQQDSWKUWQGM-HZPDHXFCSA-N 1 3 311.514 2.493 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001366095783 1147051779 /nfs/dbraw/zinc/05/17/79/1147051779.db2.gz XNSLVARWVCKNMZ-IKGGRYGDSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)C[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001366171865 1147091946 /nfs/dbraw/zinc/09/19/46/1147091946.db2.gz PUJAYYPZRUBRJI-MWDXBVQZSA-N 1 3 311.514 2.492 20 0 DEADHO CC[C@H](F)CN[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001366386463 1147246911 /nfs/dbraw/zinc/24/69/11/1147246911.db2.gz QNRWHRYIGWWCCN-IRXDYDNUSA-N 1 3 321.440 2.300 20 0 DEADHO C[C@@H](CCNC(=O)C(C)(C)N1CCCCC1)[NH2+]C/C=C/Cl ZINC001366465124 1147296454 /nfs/dbraw/zinc/29/64/54/1147296454.db2.gz QUSHNBLKFLKNOZ-KGXGESDWSA-N 1 3 315.889 2.488 20 0 DEADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1cc(C)ccc1F)N(C)C ZINC001366512489 1147318914 /nfs/dbraw/zinc/31/89/14/1147318914.db2.gz SGLJBTOAVBHYNP-YOEHRIQHSA-N 1 3 323.456 2.459 20 0 DEADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cc(C)ccc1F)N(C)C ZINC001366512480 1147319066 /nfs/dbraw/zinc/31/90/66/1147319066.db2.gz SGLJBTOAVBHYNP-PBHICJAKSA-N 1 3 323.456 2.459 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]C/C=C\Cl ZINC001366515858 1147321299 /nfs/dbraw/zinc/32/12/99/1147321299.db2.gz ZUTYIICQJLEODZ-UMBVUCBTSA-N 1 3 301.862 2.098 20 0 DEADHO CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC001413833885 1147429936 /nfs/dbraw/zinc/42/99/36/1147429936.db2.gz OZSJIXJAHPRYAO-QZTJIDSGSA-N 1 3 315.461 2.204 20 0 DEADHO CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC001413833885 1147429946 /nfs/dbraw/zinc/42/99/46/1147429946.db2.gz OZSJIXJAHPRYAO-QZTJIDSGSA-N 1 3 315.461 2.204 20 0 DEADHO Cc1cc(F)ccc1CN1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001366676101 1147470357 /nfs/dbraw/zinc/47/03/57/1147470357.db2.gz HZHUTWQTKQDDQH-QGZVFWFLSA-N 1 3 321.440 2.166 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC=C(C)C)C1)N(C)C ZINC001317041388 1147581347 /nfs/dbraw/zinc/58/13/47/1147581347.db2.gz IDRMQRCTJAEILO-IRXDYDNUSA-N 1 3 309.498 2.463 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC=C(C)C)C1)N(C)C ZINC001317041388 1147581351 /nfs/dbraw/zinc/58/13/51/1147581351.db2.gz IDRMQRCTJAEILO-IRXDYDNUSA-N 1 3 309.498 2.463 20 0 DEADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC1CC(C)(C)C1 ZINC001367099723 1147649650 /nfs/dbraw/zinc/64/96/50/1147649650.db2.gz LRTQLJVQICVFHR-HNNXBMFYSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@H](CNC(=O)Cc1nc[nH]c1C)[NH2+]CCc1cccs1 ZINC001367132357 1147654417 /nfs/dbraw/zinc/65/44/17/1147654417.db2.gz FYKSAGBNYDGZLO-CYBMUJFWSA-N 1 3 320.462 2.049 20 0 DEADHO Cc1cccc(C[NH2+]C[C@@H](C)CNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001367270021 1147672130 /nfs/dbraw/zinc/67/21/30/1147672130.db2.gz HNZPJFPMGAEYLH-IAGOWNOFSA-N 1 3 317.477 2.179 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1F)N(C)C ZINC001367273403 1147672677 /nfs/dbraw/zinc/67/26/77/1147672677.db2.gz PBNBKJSMSSQFPB-BBRMVZONSA-N 1 3 309.429 2.008 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1C(C)C ZINC001317212318 1147678041 /nfs/dbraw/zinc/67/80/41/1147678041.db2.gz VIBGCMMTSODMIV-MHPPSNFYSA-N 1 3 319.493 2.262 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1C(C)C ZINC001317212318 1147678042 /nfs/dbraw/zinc/67/80/42/1147678042.db2.gz VIBGCMMTSODMIV-MHPPSNFYSA-N 1 3 319.493 2.262 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC1CCC([NH2+]CCCF)CC1 ZINC001317218502 1147678730 /nfs/dbraw/zinc/67/87/30/1147678730.db2.gz TXEXLHZUAGUKIH-GPANFISMSA-N 1 3 313.461 2.236 20 0 DEADHO C[C@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001480791817 1147680238 /nfs/dbraw/zinc/68/02/38/1147680238.db2.gz CSFIWXUREXEIMO-LSDHHAIUSA-N 1 3 309.498 2.249 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCN2C)cc1F ZINC001367366289 1147684494 /nfs/dbraw/zinc/68/44/94/1147684494.db2.gz ZVVOCUTVSCOBOA-RHSMWYFYSA-N 1 3 321.440 2.165 20 0 DEADHO C[C@H](CNCc1ccccc1F)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367399030 1147689200 /nfs/dbraw/zinc/68/92/00/1147689200.db2.gz QQWKMIYRVIKAFL-HUUCEWRRSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@H](CNCc1ccccc1F)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001367399030 1147689202 /nfs/dbraw/zinc/68/92/02/1147689202.db2.gz QQWKMIYRVIKAFL-HUUCEWRRSA-N 1 3 321.440 2.104 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[N@H+](C)[C@H](C)c1ccccc1 ZINC001367545704 1147713591 /nfs/dbraw/zinc/71/35/91/1147713591.db2.gz HCQKAFMAVIOKIG-MRXNPFEDSA-N 1 3 305.466 2.480 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[N@@H+](C)[C@H](C)c1ccccc1 ZINC001367545704 1147713592 /nfs/dbraw/zinc/71/35/92/1147713592.db2.gz HCQKAFMAVIOKIG-MRXNPFEDSA-N 1 3 305.466 2.480 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]Cc1cccc(Cl)c1 ZINC001367767034 1147740018 /nfs/dbraw/zinc/74/00/18/1147740018.db2.gz ZACNWTVLOYMNSV-ZDUSSCGKSA-N 1 3 311.857 2.276 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+]CC1CC2(CCC2)C1 ZINC001421770169 1171980981 /nfs/dbraw/zinc/98/09/81/1171980981.db2.gz RLMVIGOVYDIQOW-HNNXBMFYSA-N 1 3 309.498 2.249 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@]1(C)CCN(Cc2ccc(C)cc2)C1 ZINC001368167785 1148300595 /nfs/dbraw/zinc/30/05/95/1148300595.db2.gz CPKHHTGTUFHYMK-LJQANCHMSA-N 1 3 317.477 2.417 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@]1(C)CCN(Cc2ccc(C)cc2)C1 ZINC001368167785 1148300601 /nfs/dbraw/zinc/30/06/01/1148300601.db2.gz CPKHHTGTUFHYMK-LJQANCHMSA-N 1 3 317.477 2.417 20 0 DEADHO C[C@]1(C[NH2+]Cc2ccsc2)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001368198417 1148319982 /nfs/dbraw/zinc/31/99/82/1148319982.db2.gz PGKWKGKKESLDCD-MRXNPFEDSA-N 1 3 318.446 2.042 20 0 DEADHO C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(CO)c1 ZINC000278339044 214101130 /nfs/dbraw/zinc/10/11/30/214101130.db2.gz AGWRCHMDLGIISV-HZPDHXFCSA-N 1 3 306.450 2.330 20 0 DEADHO C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cccc(CO)c1 ZINC000278339044 214101134 /nfs/dbraw/zinc/10/11/34/214101134.db2.gz AGWRCHMDLGIISV-HZPDHXFCSA-N 1 3 306.450 2.330 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000247322100 282148334 /nfs/dbraw/zinc/14/83/34/282148334.db2.gz SOSZQYJCJRFJPY-ROUUACIJSA-N 1 3 315.461 2.305 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000247322100 282148335 /nfs/dbraw/zinc/14/83/35/282148335.db2.gz SOSZQYJCJRFJPY-ROUUACIJSA-N 1 3 315.461 2.305 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000417733947 529447906 /nfs/dbraw/zinc/44/79/06/529447906.db2.gz JMDHNJJHUXBDFW-IPYPFGDCSA-N 1 3 324.494 2.168 20 0 DEADHO CN(C)[C@@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000368751966 282171725 /nfs/dbraw/zinc/17/17/25/282171725.db2.gz WJSIZBUQSYBGQC-RDJZCZTQSA-N 1 3 303.450 2.185 20 0 DEADHO CN(C)[C@H](CC(=O)NCCC[NH+]1CCCC1)c1ccccc1 ZINC000416118622 282235518 /nfs/dbraw/zinc/23/55/18/282235518.db2.gz ADKRBTKGXQXHBJ-QGZVFWFLSA-N 1 3 303.450 2.282 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)N[C@H](C)C[NH3+])N(CC)CC)cc1 ZINC000418208288 529708517 /nfs/dbraw/zinc/70/85/17/529708517.db2.gz DAFDABLEBLIOIU-RHSMWYFYSA-N 1 3 320.481 2.278 20 0 DEADHO CC[NH+](CC)CCOc1ccc(NC(=O)NCCN(C)C)cc1 ZINC000181593876 199323858 /nfs/dbraw/zinc/32/38/58/199323858.db2.gz WMRUWPHZMIUMGE-UHFFFAOYSA-N 1 3 322.453 2.090 20 0 DEADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C[C@H](N)c2ccccc2)C1 ZINC000448235529 529861237 /nfs/dbraw/zinc/86/12/37/529861237.db2.gz YJRHLFRIQZTFDZ-WMZOPIPTSA-N 1 3 315.461 2.267 20 0 DEADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C[C@H](N)c2ccccc2)C1 ZINC000448235529 529861238 /nfs/dbraw/zinc/86/12/38/529861238.db2.gz YJRHLFRIQZTFDZ-WMZOPIPTSA-N 1 3 315.461 2.267 20 0 DEADHO C[NH2+]CCCNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000417358824 529968602 /nfs/dbraw/zinc/96/86/02/529968602.db2.gz UPKUZSHGQKKLGR-QGZVFWFLSA-N 1 3 318.465 2.041 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)C1CCC1 ZINC000127789610 539483668 /nfs/dbraw/zinc/48/36/68/539483668.db2.gz YIPGBPASQXKQKZ-DOTOQJQBSA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)C1CCC1 ZINC000127789610 539483671 /nfs/dbraw/zinc/48/36/71/539483671.db2.gz YIPGBPASQXKQKZ-DOTOQJQBSA-N 1 3 324.513 2.233 20 0 DEADHO CCC1(CC)[C@H]([NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)C[C@@H]1OC ZINC000362033754 282456891 /nfs/dbraw/zinc/45/68/91/282456891.db2.gz VFGHIEQOEPXZDW-NXHRZFHOSA-N 1 3 323.525 2.338 20 0 DEADHO CC(C)C[C@@H](N)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000236696956 539738517 /nfs/dbraw/zinc/73/85/17/539738517.db2.gz NBQRLFIMICRZIC-IAGOWNOFSA-N 1 3 309.498 2.474 20 0 DEADHO Cc1n[nH]cc1[C@@H](C)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000248462813 539773774 /nfs/dbraw/zinc/77/37/74/539773774.db2.gz YOHRBYMYBQJBFE-CXAGYDPISA-N 1 3 314.433 2.136 20 0 DEADHO Cc1n[nH]cc1[C@@H](C)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248462813 539773779 /nfs/dbraw/zinc/77/37/79/539773779.db2.gz YOHRBYMYBQJBFE-CXAGYDPISA-N 1 3 314.433 2.136 20 0 DEADHO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cccc(CN(C)C)c1 ZINC000155723147 186107008 /nfs/dbraw/zinc/10/70/08/186107008.db2.gz NKCHAYPONBZIGS-OAHLLOKOSA-N 1 3 303.450 2.352 20 0 DEADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc2c(c1)CCO2 ZINC000177882601 186198788 /nfs/dbraw/zinc/19/87/88/186198788.db2.gz PAIHUIXCSJEBLS-OAHLLOKOSA-N 1 3 317.477 2.298 20 0 DEADHO C[C@H](CCNC(=O)[C@H]1CCCCN1)[N@H+](C)Cc1ccccc1 ZINC000237459112 186292852 /nfs/dbraw/zinc/29/28/52/186292852.db2.gz IMXMZMYUYVWAAZ-NVXWUHKLSA-N 1 3 303.450 2.155 20 0 DEADHO C[C@H](CCNC(=O)[C@H]1CCCCN1)[N@@H+](C)Cc1ccccc1 ZINC000237459112 186292853 /nfs/dbraw/zinc/29/28/53/186292853.db2.gz IMXMZMYUYVWAAZ-NVXWUHKLSA-N 1 3 303.450 2.155 20 0 DEADHO CN(C(=O)c1ccc(C[NH+]2CCCC2)cc1)C1CCN(C)CC1 ZINC000264251153 186327691 /nfs/dbraw/zinc/32/76/91/186327691.db2.gz HALAMVVDMSBPJJ-UHFFFAOYSA-N 1 3 315.461 2.449 20 0 DEADHO CC[NH+](CC)CCNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000287226886 219392731 /nfs/dbraw/zinc/39/27/31/219392731.db2.gz IAPKNGMCGNZHCM-MRXNPFEDSA-N 1 3 324.444 2.069 20 0 DEADHO CCCN1CCC([NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000305773187 539875070 /nfs/dbraw/zinc/87/50/70/539875070.db2.gz LLHPURRIGFISAH-OALUTQOASA-N 1 3 323.525 2.218 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)C[C@H](N)c2ccccc2)CC1 ZINC000236771390 202000711 /nfs/dbraw/zinc/00/07/11/202000711.db2.gz FZMPTQWSKLQLQR-KRWDZBQOSA-N 1 3 303.450 2.313 20 0 DEADHO CCC[NH+]1CCC(NC(=O)[C@H](C)[C@H](N)c2ccccc2)CC1 ZINC000236776255 202003451 /nfs/dbraw/zinc/00/34/51/202003451.db2.gz NAXANTIGPNFGJZ-PBHICJAKSA-N 1 3 303.450 2.313 20 0 DEADHO CCC[NH+]1CCC(N(C)C(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000236774534 202003649 /nfs/dbraw/zinc/00/36/49/202003649.db2.gz GOJFGVQIFFXBLN-QGZVFWFLSA-N 1 3 303.450 2.409 20 0 DEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H]2C2CC2)cc1 ZINC000348388650 540022145 /nfs/dbraw/zinc/02/21/45/540022145.db2.gz KLKDPAXOUPWPME-QZTJIDSGSA-N 1 3 315.461 2.256 20 0 DEADHO C[C@H](CC[NH+](C)C)NC[C@H](O)COCc1ccc(Cl)cc1 ZINC000049557528 354361433 /nfs/dbraw/zinc/36/14/33/354361433.db2.gz IFHUPYSEXUDYIW-CJNGLKHVSA-N 1 3 314.857 2.147 20 0 DEADHO CC(C)CN(CC[NH+](C)C)C(=O)c1cccc(CN(C)C)c1 ZINC000073426899 191315567 /nfs/dbraw/zinc/31/55/67/191315567.db2.gz QIMHFSLCPDYTKK-UHFFFAOYSA-N 1 3 305.466 2.408 20 0 DEADHO C[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)N1CCCCCC1 ZINC000074317287 355021755 /nfs/dbraw/zinc/02/17/55/355021755.db2.gz HZPIVTFXRHNLER-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)N1CCCCCC1 ZINC000074317287 355021757 /nfs/dbraw/zinc/02/17/57/355021757.db2.gz HZPIVTFXRHNLER-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)C1CC[NH2+]CC1)c1ccsc1 ZINC000236819477 202025352 /nfs/dbraw/zinc/02/53/52/202025352.db2.gz DXTOTEZMSWGXAX-HNNXBMFYSA-N 1 3 309.479 2.247 20 0 DEADHO C[C@@H]([NH3+])CCC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000382699424 540124197 /nfs/dbraw/zinc/12/41/97/540124197.db2.gz LMUXFPTXZCFVFS-HZPDHXFCSA-N 1 3 303.450 2.237 20 0 DEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCc1nnc(-c2ccccc2)o1 ZINC000090658640 355565819 /nfs/dbraw/zinc/56/58/19/355565819.db2.gz MCHMAJDCBUOSQW-HIFRSBDPSA-N 1 3 300.406 2.209 20 0 DEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCc1nnc(-c2ccccc2)o1 ZINC000090658640 355565824 /nfs/dbraw/zinc/56/58/24/355565824.db2.gz MCHMAJDCBUOSQW-HIFRSBDPSA-N 1 3 300.406 2.209 20 0 DEADHO C[C@@H]1C[C@@H](NCCc2nnc(-c3ccccc3)o2)CC[N@@H+]1C ZINC000181562130 356085972 /nfs/dbraw/zinc/08/59/72/356085972.db2.gz KPKFDJFRBRXQCM-HIFRSBDPSA-N 1 3 300.406 2.351 20 0 DEADHO C[C@@H]1C[C@@H](NCCc2nnc(-c3ccccc3)o2)CC[N@H+]1C ZINC000181562130 356085978 /nfs/dbraw/zinc/08/59/78/356085978.db2.gz KPKFDJFRBRXQCM-HIFRSBDPSA-N 1 3 300.406 2.351 20 0 DEADHO C[C@@H]1CCCC[C@@H]1C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000183021773 356156806 /nfs/dbraw/zinc/15/68/06/356156806.db2.gz GIEYGSDLUSVHGI-NVXWUHKLSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@H](CCNC(=O)N[C@@H](C)CN1CCCCC1)[NH+]1CCCCC1 ZINC000184836883 356198746 /nfs/dbraw/zinc/19/87/46/356198746.db2.gz DZIOWZPZFNSSHO-DLBZAZTESA-N 1 3 324.513 2.425 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)C2CCN(C3CC3)CC2)C1 ZINC000194698500 356243723 /nfs/dbraw/zinc/24/37/23/356243723.db2.gz UQNFXLAEUWZHLX-HNNXBMFYSA-N 1 3 307.482 2.051 20 0 DEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H](N)CC(C)C)CC1 ZINC000236707435 356291468 /nfs/dbraw/zinc/29/14/68/356291468.db2.gz ZFUHWXYWPQTUBP-GOSISDBHSA-N 1 3 317.477 2.449 20 0 DEADHO CC(C)[NH2+]CCC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000323782740 356456534 /nfs/dbraw/zinc/45/65/34/356456534.db2.gz DDJZFHFQQMYCCD-UHFFFAOYSA-N 1 3 303.450 2.109 20 0 DEADHO CCN1CCN(c2ccc(NC(=O)CCCC[NH3+])c(C)c2)CC1 ZINC000320692445 356446151 /nfs/dbraw/zinc/44/61/51/356446151.db2.gz OMFWXXXOPWVYHB-UHFFFAOYSA-N 1 3 318.465 2.204 20 0 DEADHO CN(C)CCOc1ccccc1-c1noc([C@@H]2CC[N@H+](C)C2)n1 ZINC000350043480 356501587 /nfs/dbraw/zinc/50/15/87/356501587.db2.gz BLSZOMLVPOKJOA-CYBMUJFWSA-N 1 3 316.405 2.096 20 0 DEADHO CN(C)CCOc1ccccc1-c1noc([C@@H]2CC[N@@H+](C)C2)n1 ZINC000350043480 356501590 /nfs/dbraw/zinc/50/15/90/356501590.db2.gz BLSZOMLVPOKJOA-CYBMUJFWSA-N 1 3 316.405 2.096 20 0 DEADHO Clc1ccccc1CN1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420354880 283192614 /nfs/dbraw/zinc/19/26/14/283192614.db2.gz DTACNEKNZXASJN-HNNXBMFYSA-N 1 3 307.869 2.457 20 0 DEADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000237065584 202141660 /nfs/dbraw/zinc/14/16/60/202141660.db2.gz VTMRBPXSLPLBCO-HNNXBMFYSA-N 1 3 301.434 2.385 20 0 DEADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C[C@@H](N)c1ccccc1 ZINC000237078382 202144114 /nfs/dbraw/zinc/14/41/14/202144114.db2.gz WLWCKKHXAIQCIS-DLBZAZTESA-N 1 3 303.450 2.409 20 0 DEADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C[C@@H](N)c1ccccc1 ZINC000237078382 202144117 /nfs/dbraw/zinc/14/41/17/202144117.db2.gz WLWCKKHXAIQCIS-DLBZAZTESA-N 1 3 303.450 2.409 20 0 DEADHO CC(C)[NH+]1CCC(NC[C@@H](O)COCc2ccccc2)CC1 ZINC000387475996 356705036 /nfs/dbraw/zinc/70/50/36/356705036.db2.gz ZXKYKPFBGBUYKH-GOSISDBHSA-N 1 3 306.450 2.027 20 0 DEADHO COC(=O)c1ccc(CNCCC2CC[NH+](C)CC2)cc1F ZINC000389592310 356708009 /nfs/dbraw/zinc/70/80/09/356708009.db2.gz OXYXEELNLPKHDU-UHFFFAOYSA-N 1 3 308.397 2.434 20 0 DEADHO CCN(CC[NH3+])C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000626957292 366377719 /nfs/dbraw/zinc/37/77/19/366377719.db2.gz LRXMXQQIEBXLMB-QGZVFWFLSA-N 1 3 318.465 2.122 20 0 DEADHO CN(CCCN(C)Cc1cnc(C2CC2)s1)CC[NH+](C)C ZINC000578282514 356789140 /nfs/dbraw/zinc/78/91/40/356789140.db2.gz GLTOPNTXXIYCKE-UHFFFAOYSA-N 1 3 310.511 2.336 20 0 DEADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)C(C)(C)C ZINC000237233394 202197981 /nfs/dbraw/zinc/19/79/81/202197981.db2.gz IXQOHUNIKVXQNU-DLBZAZTESA-N 1 3 317.477 2.340 20 0 DEADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)C(C)(C)C ZINC000237233394 202197985 /nfs/dbraw/zinc/19/79/85/202197985.db2.gz IXQOHUNIKVXQNU-DLBZAZTESA-N 1 3 317.477 2.340 20 0 DEADHO CC[NH2+]CCCNC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000579452411 356975758 /nfs/dbraw/zinc/97/57/58/356975758.db2.gz CHYSRLNAPVGZJF-OAHLLOKOSA-N 1 3 320.481 2.415 20 0 DEADHO CNC[C@](C)(O)C[N@H+](C)CCCOc1cccc(Cl)c1 ZINC000581374844 357176901 /nfs/dbraw/zinc/17/69/01/357176901.db2.gz DPEUQKRDQQQCET-HNNXBMFYSA-N 1 3 300.830 2.011 20 0 DEADHO CNC[C@](C)(O)C[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC000581374844 357176903 /nfs/dbraw/zinc/17/69/03/357176903.db2.gz DPEUQKRDQQQCET-HNNXBMFYSA-N 1 3 300.830 2.011 20 0 DEADHO CC(C)(C(=O)NCCC[NH+]1CCCC1)[C@@H](N)c1ccccc1 ZINC000581822757 357250109 /nfs/dbraw/zinc/25/01/09/357250109.db2.gz NOPNXFMNGWBYRU-INIZCTEOSA-N 1 3 303.450 2.315 20 0 DEADHO COc1cc2c(cc1CNCC[C@H]1CCC[NH2+]C1)O[C@H](C)C2 ZINC000584826381 357316110 /nfs/dbraw/zinc/31/61/10/357316110.db2.gz LCWLXYWBHOHLMD-ZIAGYGMSSA-N 1 3 304.434 2.498 20 0 DEADHO CSC1(CNCc2nn(C)c3ccccc23)CC[NH+](C)CC1 ZINC000589326086 357464671 /nfs/dbraw/zinc/46/46/71/357464671.db2.gz NUYYCWHWPINIQL-UHFFFAOYSA-N 1 3 318.490 2.490 20 0 DEADHO C[C@@H](CNC(=O)N(C)CCC[NH+]1CCCC1)N1CCC(C)CC1 ZINC000352968427 295947505 /nfs/dbraw/zinc/94/75/05/295947505.db2.gz NQCCYJIPFUNWGU-KRWDZBQOSA-N 1 3 324.513 2.234 20 0 DEADHO Cc1csc(=O)n1CCN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786156 357613111 /nfs/dbraw/zinc/61/31/11/357613111.db2.gz DKCDLLUXGMASOC-UHFFFAOYSA-N 1 3 311.495 2.270 20 0 DEADHO Cc1csc(=O)n1CCN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786156 357613114 /nfs/dbraw/zinc/61/31/14/357613114.db2.gz DKCDLLUXGMASOC-UHFFFAOYSA-N 1 3 311.495 2.270 20 0 DEADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000654487454 540288165 /nfs/dbraw/zinc/28/81/65/540288165.db2.gz JAYOXGXZNCGNDG-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654487555 540288204 /nfs/dbraw/zinc/28/82/04/540288204.db2.gz MQMCQJDRSSTIDK-IKGGRYGDSA-N 1 3 322.497 2.177 20 0 DEADHO CCCN(C(=O)N[C@@H]1CCCN2CCCC[C@H]12)C1CC[NH2+]CC1 ZINC000655974247 540297497 /nfs/dbraw/zinc/29/74/97/540297497.db2.gz OHDSAJZSURBQNG-IAGOWNOFSA-N 1 3 322.497 2.177 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000661396139 540318061 /nfs/dbraw/zinc/31/80/61/540318061.db2.gz BEOZVTKVPXXOKK-CVEARBPZSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)(CNC(=O)NC[C@H]1CCN1C(C)(C)C)C[NH+]1CCCC1 ZINC000661405617 540320002 /nfs/dbraw/zinc/32/00/02/540320002.db2.gz XGVONXFLOYENDY-OAHLLOKOSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(C(=O)C2(N)CC3(CCC3)C2)CC1 ZINC000662690275 540333861 /nfs/dbraw/zinc/33/38/61/540333861.db2.gz LTTXIELHKRJPIS-UHFFFAOYSA-N 1 3 307.482 2.227 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(C(=O)C2(N)CC3(CCC3)C2)CC1 ZINC000662690275 540333864 /nfs/dbraw/zinc/33/38/64/540333864.db2.gz LTTXIELHKRJPIS-UHFFFAOYSA-N 1 3 307.482 2.227 20 0 DEADHO CC1(C)C[C@]1([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000663515028 540341162 /nfs/dbraw/zinc/34/11/62/540341162.db2.gz YJBZRZKYKHROFX-BEFAXECRSA-N 1 3 315.461 2.099 20 0 DEADHO Cc1nn(-c2ccccn2)c(C)c1CN[C@H]1CC12CC[NH2+]CC2 ZINC000666955503 540369823 /nfs/dbraw/zinc/36/98/23/540369823.db2.gz RSDDJOXYAQDCEY-INIZCTEOSA-N 1 3 311.433 2.116 20 0 DEADHO NCc1cn([C@@H]2CCC[N@H+](Cc3ccccc3C3CC3)C2)nn1 ZINC000667040362 540384789 /nfs/dbraw/zinc/38/47/89/540384789.db2.gz BXQNPOLIDTXVGV-QGZVFWFLSA-N 1 3 311.433 2.451 20 0 DEADHO NCc1cn([C@@H]2CCC[N@@H+](Cc3ccccc3C3CC3)C2)nn1 ZINC000667040362 540384792 /nfs/dbraw/zinc/38/47/92/540384792.db2.gz BXQNPOLIDTXVGV-QGZVFWFLSA-N 1 3 311.433 2.451 20 0 DEADHO COC(=O)c1cccc(OCCN2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000593733274 358132855 /nfs/dbraw/zinc/13/28/55/358132855.db2.gz KUFOYDXVMRWBPQ-YOEHRIQHSA-N 1 3 320.433 2.301 20 0 DEADHO C[C@H]1C[C@H](NC(=O)N2CCN(CC3CCCCC3)CC2)CC[NH2+]1 ZINC000418601052 291136968 /nfs/dbraw/zinc/13/69/68/291136968.db2.gz LHPTXPSCIAZFIF-DOTOQJQBSA-N 1 3 322.497 2.034 20 0 DEADHO CSC1(CNCc2ccnn2CC2CC2)CC[NH+](C)CC1 ZINC000594943112 358365427 /nfs/dbraw/zinc/36/54/27/358365427.db2.gz HJOWICYEOHYNQN-UHFFFAOYSA-N 1 3 308.495 2.210 20 0 DEADHO COC(=O)[C@H]1C[C@H](N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000597244156 358867903 /nfs/dbraw/zinc/86/79/03/358867903.db2.gz JPGRWPPMKXGOHC-VDHUWJSZSA-N 1 3 316.445 2.438 20 0 DEADHO COC(=O)[C@H]1C[C@H](N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000597244156 358867906 /nfs/dbraw/zinc/86/79/06/358867906.db2.gz JPGRWPPMKXGOHC-VDHUWJSZSA-N 1 3 316.445 2.438 20 0 DEADHO C[S@](=O)[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000597185593 358848023 /nfs/dbraw/zinc/84/80/23/358848023.db2.gz YOUYHFBYNHCZOT-ZWWNWMABSA-N 1 3 321.490 2.330 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(CN)c2)C1 ZINC000667726321 540514912 /nfs/dbraw/zinc/51/49/12/540514912.db2.gz RITKMDHUYQFNAY-HNNXBMFYSA-N 1 3 304.438 2.245 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(CN)c2)C1 ZINC000667726321 540514916 /nfs/dbraw/zinc/51/49/16/540514916.db2.gz RITKMDHUYQFNAY-HNNXBMFYSA-N 1 3 304.438 2.245 20 0 DEADHO C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[NH2+]2)CCN1Cc1ccccc1 ZINC000237565725 202286794 /nfs/dbraw/zinc/28/67/94/202286794.db2.gz ZZCJTBQENXFEKV-CGTJXYLNSA-N 1 3 315.461 2.298 20 0 DEADHO C[C@@H]1CCC[C@@](CNC(=O)[C@@H](CN)c2ccccc2)([NH+](C)C)C1 ZINC000237597802 202298377 /nfs/dbraw/zinc/29/83/77/202298377.db2.gz ZNWDEHHXUCSTSH-HHXXYDBFSA-N 1 3 317.477 2.356 20 0 DEADHO C[C@H](NCCN1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347926465 299298223 /nfs/dbraw/zinc/29/82/23/299298223.db2.gz HMYIURXDOYBXJD-OGWHTMIXSA-N 1 3 321.509 2.092 20 0 DEADHO C[C@H](NCCN1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347926465 299298226 /nfs/dbraw/zinc/29/82/26/299298226.db2.gz HMYIURXDOYBXJD-OGWHTMIXSA-N 1 3 321.509 2.092 20 0 DEADHO C[C@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCCN(C2CCC2)C1 ZINC000347926465 299298230 /nfs/dbraw/zinc/29/82/30/299298230.db2.gz HMYIURXDOYBXJD-OGWHTMIXSA-N 1 3 321.509 2.092 20 0 DEADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCc1cn2c(n1)SCC2 ZINC000423068536 296001877 /nfs/dbraw/zinc/00/18/77/296001877.db2.gz KGUZTVXVTJOSHP-UONOGXRCSA-N 1 3 308.495 2.432 20 0 DEADHO N[C@H](CC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000237843074 202369571 /nfs/dbraw/zinc/36/95/71/202369571.db2.gz ZOQFIJXQSMHSGO-DOTOQJQBSA-N 1 3 301.434 2.021 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000601346413 360013473 /nfs/dbraw/zinc/01/34/73/360013473.db2.gz KYVXQBQVBYVJRY-CVEARBPZSA-N 1 3 310.486 2.033 20 0 DEADHO CC[NH2+]CCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669483672 540841746 /nfs/dbraw/zinc/84/17/46/540841746.db2.gz GVCQSYZQIQMNNE-QGZVFWFLSA-N 1 3 318.465 2.122 20 0 DEADHO COc1cccc2c1OC[C@H](N[C@@H]1CC[N@H+](C)[C@@H]3CCC[C@H]31)C2 ZINC000671745845 541007023 /nfs/dbraw/zinc/00/70/23/541007023.db2.gz MJBYKYDPABYWNT-YYIAUSFCSA-N 1 3 316.445 2.461 20 0 DEADHO COc1cccc2c1OC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H]3CCC[C@H]31)C2 ZINC000671745845 541007024 /nfs/dbraw/zinc/00/70/24/541007024.db2.gz MJBYKYDPABYWNT-YYIAUSFCSA-N 1 3 316.445 2.461 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000608167768 361181903 /nfs/dbraw/zinc/18/19/03/361181903.db2.gz SBRSZXJULAVMHX-QGZVFWFLSA-N 1 3 303.450 2.061 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000608167768 361181911 /nfs/dbraw/zinc/18/19/11/361181911.db2.gz SBRSZXJULAVMHX-QGZVFWFLSA-N 1 3 303.450 2.061 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000193091476 200990139 /nfs/dbraw/zinc/99/01/39/200990139.db2.gz BSDLLIZUJSONNJ-IRXDYDNUSA-N 1 3 303.450 2.185 20 0 DEADHO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC1=CCN(C)CC1 ZINC000271882203 209292096 /nfs/dbraw/zinc/29/20/96/209292096.db2.gz PQZNTCKMEWNWLG-CYBMUJFWSA-N 1 3 305.397 2.394 20 0 DEADHO C[C@H]([NH3+])CCC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000193303426 201024482 /nfs/dbraw/zinc/02/44/82/201024482.db2.gz JESFGXOREQXFTQ-RDJZCZTQSA-N 1 3 303.450 2.285 20 0 DEADHO C[C@@H]([NH3+])CCC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000193305046 201025627 /nfs/dbraw/zinc/02/56/27/201025627.db2.gz NAZKQXMCVIAXEI-KGLIPLIRSA-N 1 3 309.479 2.204 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)C[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000194009691 201161637 /nfs/dbraw/zinc/16/16/37/201161637.db2.gz ZNJXYOFXFNGFEK-SJORKVTESA-N 1 3 303.450 2.328 20 0 DEADHO COC(=O)C[C@H]1CCCN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000611274274 361569813 /nfs/dbraw/zinc/56/98/13/361569813.db2.gz JQJSLGFCRCIKEA-MRXNPFEDSA-N 1 3 320.433 2.155 20 0 DEADHO OC1CCN(Cc2ccc(C[NH2+]C[C@H]3CCC=CO3)cc2)CC1 ZINC000194172819 201190907 /nfs/dbraw/zinc/19/09/07/201190907.db2.gz BDYFGYGPFAFVSR-LJQANCHMSA-N 1 3 316.445 2.426 20 0 DEADHO C[C@H]1[C@@H](NC(=O)N2CCN(CCC(C)(C)C)CC2)CCC[N@@H+]1C ZINC000345750786 291285608 /nfs/dbraw/zinc/28/56/08/291285608.db2.gz OKWOLFMEDVLILY-HOTGVXAUSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H]1[C@@H](NC(=O)N2CCN(CCC(C)(C)C)CC2)CCC[N@H+]1C ZINC000345750786 291285612 /nfs/dbraw/zinc/28/56/12/291285612.db2.gz OKWOLFMEDVLILY-HOTGVXAUSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000447956853 239187054 /nfs/dbraw/zinc/18/70/54/239187054.db2.gz WEVZWUNSIGOFMP-HZPDHXFCSA-N 1 3 324.513 2.280 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000447965089 239195894 /nfs/dbraw/zinc/19/58/94/239195894.db2.gz OBMLASNVGHFMTQ-OAGGEKHMSA-N 1 3 324.513 2.279 20 0 DEADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N(CCN(C)C)CC(C)C ZINC000675192964 541300297 /nfs/dbraw/zinc/30/02/97/541300297.db2.gz AJGGACCFBODRCU-MRXNPFEDSA-N 1 3 312.502 2.090 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000675196893 541301162 /nfs/dbraw/zinc/30/11/62/541301162.db2.gz HUPUOYXXUMKQCZ-IAGOWNOFSA-N 1 3 322.497 2.131 20 0 DEADHO C[C@H]([NH3+])C1CCN(C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000623056453 364870299 /nfs/dbraw/zinc/87/02/99/364870299.db2.gz ABJYAZNJVZGRJQ-ZDUSSCGKSA-N 1 3 304.438 2.339 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000623067727 364873709 /nfs/dbraw/zinc/87/37/09/364873709.db2.gz KZBBGWFFODYILM-USXIJHARSA-N 1 3 316.449 2.339 20 0 DEADHO COc1cccc(OC)c1OCCCCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000675896068 541392499 /nfs/dbraw/zinc/39/24/99/541392499.db2.gz XZXCOFFNUASMHI-HUUCEWRRSA-N 1 3 320.433 2.014 20 0 DEADHO C[C@H](NC1CC1)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000449161660 240138007 /nfs/dbraw/zinc/13/80/07/240138007.db2.gz GLGJCKJXMIMOGP-HNNXBMFYSA-N 1 3 307.482 2.242 20 0 DEADHO O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCC[C@H]1CN1CCCCC1 ZINC000353528395 296073062 /nfs/dbraw/zinc/07/30/62/296073062.db2.gz SLVQPDZXXRXNLI-OKZBNKHCSA-N 1 3 319.493 2.099 20 0 DEADHO C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000623461725 365039026 /nfs/dbraw/zinc/03/90/26/365039026.db2.gz UEXRKMZSMJZCNS-WBVHZDCISA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000623461725 365039030 /nfs/dbraw/zinc/03/90/30/365039030.db2.gz UEXRKMZSMJZCNS-WBVHZDCISA-N 1 3 322.497 2.034 20 0 DEADHO C[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1)N1CCC(C)CC1 ZINC000623720983 365146918 /nfs/dbraw/zinc/14/69/18/365146918.db2.gz CXCYJDNBGJHDEF-SJORKVTESA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)N1CCC(C)CC1 ZINC000623720983 365146925 /nfs/dbraw/zinc/14/69/25/365146925.db2.gz CXCYJDNBGJHDEF-SJORKVTESA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)(C)N1CCC([NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)CC1 ZINC000624194390 365328522 /nfs/dbraw/zinc/32/85/22/365328522.db2.gz GXMPXLQPQKRHEQ-WBVHZDCISA-N 1 3 319.449 2.470 20 0 DEADHO C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccccc1F ZINC000423458855 299361156 /nfs/dbraw/zinc/36/11/56/299361156.db2.gz QKVPFUMPXCWUAY-XZOAIXRZSA-N 1 3 319.424 2.123 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]CCC(F)(F)F)CC1 ZINC001368649695 1148550024 /nfs/dbraw/zinc/55/00/24/1148550024.db2.gz FVEVVTMSRRWGDI-GFCCVEGCSA-N 1 3 321.387 2.004 20 0 DEADHO c1c(CN[C@H]2CC[C@@H](c3ccccc3)C2)nnn1[C@H]1CC[NH2+]C1 ZINC000629550106 367244843 /nfs/dbraw/zinc/24/48/43/367244843.db2.gz MFVHEXCMSFJINO-RYRKJORJSA-N 1 3 311.433 2.238 20 0 DEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H](O)COCc1ccccc1 ZINC000629555497 367247623 /nfs/dbraw/zinc/24/76/23/367247623.db2.gz VMKOAJWYUZQRNB-RCCFBDPRSA-N 1 3 306.450 2.061 20 0 DEADHO O[C@@H](CNCCc1c[nH]c2cc(Cl)ccc12)C[NH+]1CCCC1 ZINC000629558710 367251629 /nfs/dbraw/zinc/25/16/29/367251629.db2.gz MAGQPIFVQQUOFD-HNNXBMFYSA-N 1 3 321.852 2.410 20 0 DEADHO C[C@H](c1ccc(Br)cc1)N(C)CCOCC[NH3+] ZINC000629578764 367257960 /nfs/dbraw/zinc/25/79/60/367257960.db2.gz MLCDRIVLQVRHSH-LLVKDONJSA-N 1 3 301.228 2.417 20 0 DEADHO CN(CC(=O)NCCC[N@@H+]1CCc2ccccc2C1)C1CCC1 ZINC000629946927 367388848 /nfs/dbraw/zinc/38/88/48/367388848.db2.gz FJVWQKXRSADMGQ-UHFFFAOYSA-N 1 3 315.461 2.035 20 0 DEADHO CN(CC(=O)NCCC[N@H+]1CCc2ccccc2C1)C1CCC1 ZINC000629946927 367388854 /nfs/dbraw/zinc/38/88/54/367388854.db2.gz FJVWQKXRSADMGQ-UHFFFAOYSA-N 1 3 315.461 2.035 20 0 DEADHO CN(CCCN(C)C(=O)C[N@H+](C)C1CCC1)Cc1ccco1 ZINC000629992985 367426812 /nfs/dbraw/zinc/42/68/12/367426812.db2.gz YOOFKCOOKRBRJK-UHFFFAOYSA-N 1 3 307.438 2.044 20 0 DEADHO CN(CCCN(C)C(=O)C[N@@H+](C)C1CCC1)Cc1ccco1 ZINC000629992985 367426815 /nfs/dbraw/zinc/42/68/15/367426815.db2.gz YOOFKCOOKRBRJK-UHFFFAOYSA-N 1 3 307.438 2.044 20 0 DEADHO CN(CCC[N@H+](C)Cc1ccco1)C(=O)CN(C)C1CCC1 ZINC000629992985 367426818 /nfs/dbraw/zinc/42/68/18/367426818.db2.gz YOOFKCOOKRBRJK-UHFFFAOYSA-N 1 3 307.438 2.044 20 0 DEADHO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)CN(C)C1CCC1 ZINC000629992985 367426820 /nfs/dbraw/zinc/42/68/20/367426820.db2.gz YOOFKCOOKRBRJK-UHFFFAOYSA-N 1 3 307.438 2.044 20 0 DEADHO CN(CC(=O)N(CC[NH+](C)C)Cc1cccs1)C1CCC1 ZINC000629970413 367407647 /nfs/dbraw/zinc/40/76/47/367407647.db2.gz PZYPXGPYCVCNGX-UHFFFAOYSA-N 1 3 309.479 2.123 20 0 DEADHO COc1cc2nccc(N[C@H]3CC[C@H]([NH3+])CC3)c2cc1OC ZINC000630385943 367626688 /nfs/dbraw/zinc/62/66/88/367626688.db2.gz RIFQFGQJBNHXDJ-HAQNSBGRSA-N 1 3 301.390 2.356 20 0 DEADHO COc1ccccc1N1CCC([NH2+]C[C@H](C)CN(C)C)CC1 ZINC000631138740 368040588 /nfs/dbraw/zinc/04/05/88/368040588.db2.gz ABYYRMBFMKRGCN-HNNXBMFYSA-N 1 3 305.466 2.451 20 0 DEADHO C[C@@H](NCC1([NH+](C)C)Cc2ccccc2C1)c1cnccc1N ZINC000422776174 296118338 /nfs/dbraw/zinc/11/83/38/296118338.db2.gz DGHKPXPGQGFJPF-CQSZACIVSA-N 1 3 310.445 2.244 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)C[NH2+]CC1CC1)c1ccccc1 ZINC000261628442 203083171 /nfs/dbraw/zinc/08/31/71/203083171.db2.gz HKOQQPXPDRSHIL-KRWDZBQOSA-N 1 3 303.450 2.185 20 0 DEADHO Cc1ccc([C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)c(C)n1 ZINC000678411115 541725804 /nfs/dbraw/zinc/72/58/04/541725804.db2.gz HBNMAMZPYXUXCY-MRXNPFEDSA-N 1 3 304.482 2.375 20 0 DEADHO C[C@@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)N(C)Cc1ccccc1 ZINC000261923870 203153822 /nfs/dbraw/zinc/15/38/22/203153822.db2.gz XZXQLGSFIYUNNF-JKSUJKDBSA-N 1 3 303.450 2.013 20 0 DEADHO CCC[C@](C)(N)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000262175759 203218793 /nfs/dbraw/zinc/21/87/93/203218793.db2.gz YCCPEYIYFPGMOO-IBGZPJMESA-N 1 3 317.477 2.327 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)N(C)C)cc1 ZINC000262297204 203253258 /nfs/dbraw/zinc/25/32/58/203253258.db2.gz PCXXZLJCECJMTA-SQNIBIBYSA-N 1 3 317.477 2.485 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000262362783 203273708 /nfs/dbraw/zinc/27/37/08/203273708.db2.gz KOGFSRPLLFFRJN-JQFCIGGWSA-N 1 3 303.450 2.314 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+]C2(CO)CCCCC2)cc1 ZINC000678969767 541790433 /nfs/dbraw/zinc/79/04/33/541790433.db2.gz ATWOUYMJEGQHOT-UHFFFAOYSA-N 1 3 306.450 2.412 20 0 DEADHO CCNC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274894749 212017315 /nfs/dbraw/zinc/01/73/15/212017315.db2.gz KBVNEJHLBQCUES-VYDXJSESSA-N 1 3 303.450 2.011 20 0 DEADHO CCC(CC)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001422238209 1172424977 /nfs/dbraw/zinc/42/49/77/1172424977.db2.gz MQJZDSVKXOXSGI-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CCC(CC)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001422238209 1172424980 /nfs/dbraw/zinc/42/49/80/1172424980.db2.gz MQJZDSVKXOXSGI-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO COc1ccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530241755 284383826 /nfs/dbraw/zinc/38/38/26/284383826.db2.gz QTXGJPQZDZEFBN-GOSISDBHSA-N 1 3 304.434 2.286 20 0 DEADHO CCc1noc(C)c1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240768 284383588 /nfs/dbraw/zinc/38/35/88/284383588.db2.gz NKFSXZSVYQKVEA-OAHLLOKOSA-N 1 3 307.438 2.136 20 0 DEADHO C[C@H](NCc1ccn(C)c(=O)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000680401412 542001453 /nfs/dbraw/zinc/00/14/53/542001453.db2.gz YULXJIYNAXPVNF-GOEBONIOSA-N 1 3 303.450 2.128 20 0 DEADHO C[C@H](NCc1ccn(C)c(=O)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000680401412 542001459 /nfs/dbraw/zinc/00/14/59/542001459.db2.gz YULXJIYNAXPVNF-GOEBONIOSA-N 1 3 303.450 2.128 20 0 DEADHO C[C@H]([NH2+]Cc1ccn(C)c(=O)c1)[C@@H]1CCCN(C2CCC2)C1 ZINC000680401412 542001463 /nfs/dbraw/zinc/00/14/63/542001463.db2.gz YULXJIYNAXPVNF-GOEBONIOSA-N 1 3 303.450 2.128 20 0 DEADHO CN(C)C/C=C/C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000493269472 249265166 /nfs/dbraw/zinc/26/51/66/249265166.db2.gz WFWMKMPTIPZMGE-LLYBFZRZSA-N 1 3 323.868 2.219 20 0 DEADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(C(C)=O)CC1 ZINC000344824566 284727940 /nfs/dbraw/zinc/72/79/40/284727940.db2.gz MTNAVEJNQSGSOO-AEFFLSMTSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000105134789 194077444 /nfs/dbraw/zinc/07/74/44/194077444.db2.gz JIFNUBDYDZKHAA-SJORKVTESA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000105134789 194077446 /nfs/dbraw/zinc/07/74/46/194077446.db2.gz JIFNUBDYDZKHAA-SJORKVTESA-N 1 3 324.513 2.234 20 0 DEADHO COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H](O)CN1CCCC1 ZINC000268862872 207031458 /nfs/dbraw/zinc/03/14/58/207031458.db2.gz SKADJLLMCAZTLZ-MAUKXSAKSA-N 1 3 304.434 2.119 20 0 DEADHO C[C@@H](c1ccc(Cl)cc1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178496 184276591 /nfs/dbraw/zinc/27/65/91/184276591.db2.gz XKYDEQQVDJIKFR-JSGCOSHPSA-N 1 3 309.841 2.188 20 0 DEADHO CCC[C@H](N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000269252096 207391526 /nfs/dbraw/zinc/39/15/26/207391526.db2.gz HKUAMLCHDOSQCX-HYVNUMGLSA-N 1 3 303.450 2.141 20 0 DEADHO CCC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000269252096 207391532 /nfs/dbraw/zinc/39/15/32/207391532.db2.gz HKUAMLCHDOSQCX-HYVNUMGLSA-N 1 3 303.450 2.141 20 0 DEADHO C[NH2+][C@@H]1CCN(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)C1 ZINC000417707002 532958066 /nfs/dbraw/zinc/95/80/66/532958066.db2.gz PTWLWBJXHVWHDT-GOEBONIOSA-N 1 3 318.465 2.119 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000157874623 197222980 /nfs/dbraw/zinc/22/29/80/197222980.db2.gz SNTGNQPYPMRHNW-IUODEOHRSA-N 1 3 315.417 2.352 20 0 DEADHO C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443076440 533177863 /nfs/dbraw/zinc/17/78/63/533177863.db2.gz SCELKLGAWRLQMU-RDJZCZTQSA-N 1 3 303.450 2.094 20 0 DEADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000683419583 542447282 /nfs/dbraw/zinc/44/72/82/542447282.db2.gz WVRVVQYBOFQOML-DOTOQJQBSA-N 1 3 322.497 2.177 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(COC)o1 ZINC000349035867 285251000 /nfs/dbraw/zinc/25/10/00/285251000.db2.gz QCHFLDRTLWVFNT-MRXNPFEDSA-N 1 3 323.481 2.274 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(COC)o1 ZINC000349035867 285251002 /nfs/dbraw/zinc/25/10/02/285251002.db2.gz QCHFLDRTLWVFNT-MRXNPFEDSA-N 1 3 323.481 2.274 20 0 DEADHO C[C@@H]([NH2+]CCc1cn[nH]c1)c1cccc(OCCN(C)C)c1 ZINC000289578591 221080533 /nfs/dbraw/zinc/08/05/33/221080533.db2.gz BJNIGTWEFFQOKR-CQSZACIVSA-N 1 3 302.422 2.243 20 0 DEADHO C[C@H]([NH2+]CCc1cn[nH]c1)c1cccc(OCCN(C)C)c1 ZINC000289578588 221080999 /nfs/dbraw/zinc/08/09/99/221080999.db2.gz BJNIGTWEFFQOKR-AWEZNQCLSA-N 1 3 302.422 2.243 20 0 DEADHO CN1CCC(N2CC[C@@H]([NH2+]Cc3ccc4cnccc4c3)C2)CC1 ZINC000683768531 542494153 /nfs/dbraw/zinc/49/41/53/542494153.db2.gz FZQNVTFZCKRRDA-LJQANCHMSA-N 1 3 324.472 2.493 20 0 DEADHO CC[N@@H+]1CC[C@@H](NCCN2CCc3ccccc3C2)[C@H](C)C1 ZINC000121735909 195337445 /nfs/dbraw/zinc/33/74/45/195337445.db2.gz DCMYGVYXAFVPSJ-VQIMIIECSA-N 1 3 301.478 2.365 20 0 DEADHO CC[N@H+]1CC[C@@H](NCCN2CCc3ccccc3C2)[C@H](C)C1 ZINC000121735909 195337448 /nfs/dbraw/zinc/33/74/48/195337448.db2.gz DCMYGVYXAFVPSJ-VQIMIIECSA-N 1 3 301.478 2.365 20 0 DEADHO C[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)[C@@H]1CCCCN1 ZINC000422902962 533340178 /nfs/dbraw/zinc/34/01/78/533340178.db2.gz VJLXFGZJRJWGJQ-QAPCUYQASA-N 1 3 302.466 2.166 20 0 DEADHO C[C@@H](NC1CCN(Cc2ccccn2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422902962 533340182 /nfs/dbraw/zinc/34/01/82/533340182.db2.gz VJLXFGZJRJWGJQ-QAPCUYQASA-N 1 3 302.466 2.166 20 0 DEADHO C[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)[C@H]1CCCCN1 ZINC000422902960 533340282 /nfs/dbraw/zinc/34/02/82/533340282.db2.gz VJLXFGZJRJWGJQ-CRAIPNDOSA-N 1 3 302.466 2.166 20 0 DEADHO C[C@@H](NC1CCN(Cc2ccccn2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422902960 533340289 /nfs/dbraw/zinc/34/02/89/533340289.db2.gz VJLXFGZJRJWGJQ-CRAIPNDOSA-N 1 3 302.466 2.166 20 0 DEADHO COc1ccc(CCCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422729424 533474482 /nfs/dbraw/zinc/47/44/82/533474482.db2.gz BRHCDAIPLMQYKN-CEXWTWQISA-N 1 3 318.461 2.375 20 0 DEADHO C[C@@H](CC[NH3+])NC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000417698247 533575751 /nfs/dbraw/zinc/57/57/51/533575751.db2.gz GDNKZDLKGRATCN-KBPBESRZSA-N 1 3 306.454 2.152 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N(CCC[NH3+])CC2CCCC2)CN1C1CC1 ZINC000417858692 533610779 /nfs/dbraw/zinc/61/07/79/533610779.db2.gz PZPICXPXYBALTN-GDBMZVCRSA-N 1 3 322.497 2.162 20 0 DEADHO c1cc(N2CCC([NH2+]C3CCN(C4CC4)CC3)CC2)ccn1 ZINC000294304209 285442277 /nfs/dbraw/zinc/44/22/77/285442277.db2.gz VIEDBSHDRSCYLY-UHFFFAOYSA-N 1 3 300.450 2.267 20 0 DEADHO CO[C@@H]1CCC[C@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)C1 ZINC000684382879 542597599 /nfs/dbraw/zinc/59/75/99/542597599.db2.gz RUWLOKNANSIXLF-ZWKOTPCHSA-N 1 3 323.525 2.484 20 0 DEADHO CO[C@H]1CCC[C@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C1 ZINC000684392722 542599357 /nfs/dbraw/zinc/59/93/57/542599357.db2.gz PMXPRIQRFQOMED-HOTGVXAUSA-N 1 3 307.438 2.069 20 0 DEADHO c1nc(CCN2CCC(OCC[NH+]3CCCC3)CC2)cs1 ZINC000340285145 131326632 /nfs/dbraw/zinc/32/66/32/131326632.db2.gz NEXZJWKVTWPYFE-UHFFFAOYSA-N 1 3 309.479 2.262 20 0 DEADHO CCc1ncc(CN(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000685457408 542727277 /nfs/dbraw/zinc/72/72/77/542727277.db2.gz BVBOHMFIQSWDIL-HNNXBMFYSA-N 1 3 322.522 2.306 20 0 DEADHO CCC[NH+]1CCC(NCC2(N3CCOCC3)CCCCC2)CC1 ZINC000121046917 132151864 /nfs/dbraw/zinc/15/18/64/132151864.db2.gz KFQJVYOAPAMADW-UHFFFAOYSA-N 1 3 323.525 2.486 20 0 DEADHO N[C@H](CC(F)F)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000345779926 132742428 /nfs/dbraw/zinc/74/24/28/132742428.db2.gz YEWKWXXLHPGKFH-CQSZACIVSA-N 1 3 311.376 2.246 20 0 DEADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000353457859 132976283 /nfs/dbraw/zinc/97/62/83/132976283.db2.gz IFNJOPFRBABJPO-SJJHQCBESA-N 1 3 307.482 2.097 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000355365306 133021105 /nfs/dbraw/zinc/02/11/05/133021105.db2.gz LQDQPWXXWFEYKG-UHFFFAOYSA-N 1 3 324.513 2.378 20 0 DEADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000355384676 133022563 /nfs/dbraw/zinc/02/25/63/133022563.db2.gz QGSVOPYEOFQDSV-RDJZCZTQSA-N 1 3 319.493 2.442 20 0 DEADHO CCCN(C)CC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000355469489 133028506 /nfs/dbraw/zinc/02/85/06/133028506.db2.gz HHRCDGVFYBCACW-UHFFFAOYSA-N 1 3 309.429 2.058 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000356238309 133074077 /nfs/dbraw/zinc/07/40/77/133074077.db2.gz WKCQRAZUIDIGJV-AEFFLSMTSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000356238309 133074078 /nfs/dbraw/zinc/07/40/78/133074078.db2.gz WKCQRAZUIDIGJV-AEFFLSMTSA-N 1 3 307.482 2.195 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C)N(C)C ZINC000357867853 133106453 /nfs/dbraw/zinc/10/64/53/133106453.db2.gz KXTUHTSRTRMZCV-UAGQMJEPSA-N 1 3 305.466 2.443 20 0 DEADHO O=C(NCCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000358100752 133121283 /nfs/dbraw/zinc/12/12/83/133121283.db2.gz SXBVXQPWLBFAJC-SJORKVTESA-N 1 3 319.424 2.162 20 0 DEADHO O=C(NCCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000358100752 133121284 /nfs/dbraw/zinc/12/12/84/133121284.db2.gz SXBVXQPWLBFAJC-SJORKVTESA-N 1 3 319.424 2.162 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]C2CCN(C3CC3)CC2)[C@@H](C)C1 ZINC000359664689 133138312 /nfs/dbraw/zinc/13/83/12/133138312.db2.gz YWQKQARDVYWPRJ-QFBILLFUSA-N 1 3 323.525 2.340 20 0 DEADHO C[C@@H](C[NH2+]C1CCN(Cc2ccccn2)CC1)CN1CCCC1 ZINC000360416365 133180537 /nfs/dbraw/zinc/18/05/37/133180537.db2.gz GPECDESYXVXCMH-KRWDZBQOSA-N 1 3 316.493 2.368 20 0 DEADHO C[C@@H]1CN(CCCc2ccncc2)CC[N@@H+]1C1CCN(C)CC1 ZINC000360470216 133184147 /nfs/dbraw/zinc/18/41/47/133184147.db2.gz RTQBNJPFGLZIFM-QGZVFWFLSA-N 1 3 316.493 2.115 20 0 DEADHO C[C@@H]1CN(CCCc2ccncc2)CC[N@H+]1C1CCN(C)CC1 ZINC000360470216 133184148 /nfs/dbraw/zinc/18/41/48/133184148.db2.gz RTQBNJPFGLZIFM-QGZVFWFLSA-N 1 3 316.493 2.115 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CCCCN1C1CCCC1)[N@H+](C)C1CC1 ZINC000373038039 133375522 /nfs/dbraw/zinc/37/55/22/133375522.db2.gz ZDQLCRHKUJIHGW-RHSMWYFYSA-N 1 3 307.482 2.382 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CCCCN1C1CCCC1)[N@@H+](C)C1CC1 ZINC000373038039 133375523 /nfs/dbraw/zinc/37/55/23/133375523.db2.gz ZDQLCRHKUJIHGW-RHSMWYFYSA-N 1 3 307.482 2.382 20 0 DEADHO CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C(C)C ZINC000563377240 292051327 /nfs/dbraw/zinc/05/13/27/292051327.db2.gz ONTVEJTVIFNPOK-UHFFFAOYSA-N 1 3 309.498 2.440 20 0 DEADHO CC[NH+]1CCC(CNC(=O)Nc2cccc3c2CCNC3)CC1 ZINC000563499407 292059494 /nfs/dbraw/zinc/05/94/94/292059494.db2.gz ZQQPJFBIXOZZMN-UHFFFAOYSA-N 1 3 316.449 2.186 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)C1 ZINC000564225719 292089387 /nfs/dbraw/zinc/08/93/87/292089387.db2.gz LJKLUYBXEBHVOW-WKULXVSPSA-N 1 3 313.445 2.003 20 0 DEADHO C[C@H](N[C@H]1CCC[NH2+]CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000564823683 292113148 /nfs/dbraw/zinc/11/31/48/292113148.db2.gz UIAWJXYANCPCTI-WDSOQIARSA-N 1 3 317.477 2.008 20 0 DEADHO CC(C)[NH2+]CCC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000564907821 292119996 /nfs/dbraw/zinc/11/99/96/292119996.db2.gz QYCQLZNDTCYAIM-RDJZCZTQSA-N 1 3 303.450 2.326 20 0 DEADHO C[C@@H](CNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)N(C)C1CC1 ZINC000246533338 145105787 /nfs/dbraw/zinc/10/57/87/145105787.db2.gz WQOKJTIAHAUYNO-GJZGRUSLSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H](CNC(=O)NCCC[N@H+]1CCCC[C@@H]1C)N(C)C1CC1 ZINC000246533338 145105788 /nfs/dbraw/zinc/10/57/88/145105788.db2.gz WQOKJTIAHAUYNO-GJZGRUSLSA-N 1 3 310.486 2.033 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC(CC[NH3+])CC1 ZINC000565099298 292133440 /nfs/dbraw/zinc/13/34/40/292133440.db2.gz KYRJTIJMOBQHMZ-KRWDZBQOSA-N 1 3 324.513 2.267 20 0 DEADHO O[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000248416257 145154205 /nfs/dbraw/zinc/15/42/05/145154205.db2.gz PBRXQUQZMRVYPE-QXCZDIPSSA-N 1 3 300.446 2.400 20 0 DEADHO C[C@H]([NH2+]C[C@H]1CC[C@@H](O)C1)c1ccc(OCCN(C)C)cc1 ZINC000249034463 145175801 /nfs/dbraw/zinc/17/58/01/145175801.db2.gz FTPKPOJRSDCMMB-YQQAZPJKSA-N 1 3 306.450 2.439 20 0 DEADHO C[C@@H](CN1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccc(F)cc1 ZINC000261968566 145247572 /nfs/dbraw/zinc/24/75/72/145247572.db2.gz HYSWNSLMOHLMFC-WMLDXEAASA-N 1 3 321.440 2.249 20 0 DEADHO c1cc(-c2ccccc2)oc1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262184129 145268225 /nfs/dbraw/zinc/26/82/25/145268225.db2.gz XEGKZGUXISDYAK-KRWDZBQOSA-N 1 3 311.429 2.426 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@H](C)C1C[NH2+]C1)c1ccsc1 ZINC000262301195 145275227 /nfs/dbraw/zinc/27/52/27/145275227.db2.gz BMROUYVHCXUXGW-DOMZBBRYSA-N 1 3 309.479 2.103 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262318441 145275874 /nfs/dbraw/zinc/27/58/74/145275874.db2.gz PZSFNGVOUMPGLU-CGLCSIQHSA-N 1 3 307.482 2.131 20 0 DEADHO C[C@H](C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1)C1C[NH2+]C1 ZINC000262440184 145284097 /nfs/dbraw/zinc/28/40/97/145284097.db2.gz UUVAVRAHKDJYBI-ZENOOKHLSA-N 1 3 321.490 2.103 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)C[NH2+]CC2CC2)CC1 ZINC000262679401 145300060 /nfs/dbraw/zinc/30/00/60/145300060.db2.gz VXFPGSIXIYBAAA-HNNXBMFYSA-N 1 3 315.461 2.328 20 0 DEADHO CCCn1nc(C)c(CN2CCC(OCCC[NH3+])CC2)c1C ZINC000346681110 146123510 /nfs/dbraw/zinc/12/35/10/146123510.db2.gz OIYHIYMBNBVVCQ-UHFFFAOYSA-N 1 3 308.470 2.240 20 0 DEADHO C[C@H]1C[C@H](C[NH3+])CN1Cc1ccc(OCc2nccn2C)cc1 ZINC000346687813 146125095 /nfs/dbraw/zinc/12/50/95/146125095.db2.gz WSLYMMPWYQTUKA-GOEBONIOSA-N 1 3 314.433 2.168 20 0 DEADHO COCCOc1ccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000346848930 146153112 /nfs/dbraw/zinc/15/31/12/146153112.db2.gz FQWWRPMIZUYPAT-CGTJXYLNSA-N 1 3 304.434 2.271 20 0 DEADHO Cc1cc(C)n2c(CN3CCC([C@@H]4CCC[NH2+]4)CC3)cnc2n1 ZINC000347104089 146194659 /nfs/dbraw/zinc/19/46/59/146194659.db2.gz KYRRLNSUYQGCLE-KRWDZBQOSA-N 1 3 313.449 2.310 20 0 DEADHO Cc1cc(C)n2c(CN3CCC([C@@H]4CC[NH2+]C4)CC3)cnc2n1 ZINC000357039925 147028249 /nfs/dbraw/zinc/02/82/49/147028249.db2.gz BLRZWTRFRVVEFS-MRXNPFEDSA-N 1 3 313.449 2.168 20 0 DEADHO c1cc2c(cc1CN1CCC([C@@H]3CC[NH2+]C3)CC1)OCCO2 ZINC000357055430 147031188 /nfs/dbraw/zinc/03/11/88/147031188.db2.gz RIAYHUZFIDWNOO-MRXNPFEDSA-N 1 3 302.418 2.279 20 0 DEADHO CCN(C)c1ccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000357090393 147039897 /nfs/dbraw/zinc/03/98/97/147039897.db2.gz VIDMNUMWVADJSN-QGZVFWFLSA-N 1 3 302.466 2.359 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C1C[NH2+]C1 ZINC000357238676 147070371 /nfs/dbraw/zinc/07/03/71/147070371.db2.gz IVAUVBKYTJYZOL-RLFYNMQTSA-N 1 3 315.461 2.011 20 0 DEADHO C[C@@H](CC(=O)NC[C@@H]1NCCc2ccccc21)C1CC[NH2+]CC1 ZINC000357245493 147072164 /nfs/dbraw/zinc/07/21/64/147072164.db2.gz UWMIAWKRLNBDLM-KSSFIOAISA-N 1 3 315.461 2.015 20 0 DEADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCOc1cccc(C(F)(F)F)n1 ZINC000358381959 147123569 /nfs/dbraw/zinc/12/35/69/147123569.db2.gz ZMELZLLTJJHLMX-VXGBXAGGSA-N 1 3 317.355 2.409 20 0 DEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCOc1cccc(C(F)(F)F)n1 ZINC000358381959 147123572 /nfs/dbraw/zinc/12/35/72/147123572.db2.gz ZMELZLLTJJHLMX-VXGBXAGGSA-N 1 3 317.355 2.409 20 0 DEADHO Cc1ccccc1CNC(=O)[C@H](C)N1CCC2(C1)CC[NH2+]CC2 ZINC000358512114 147148599 /nfs/dbraw/zinc/14/85/99/147148599.db2.gz ULVBHFRFMSAEJP-INIZCTEOSA-N 1 3 315.461 2.075 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC000358557504 147156193 /nfs/dbraw/zinc/15/61/93/147156193.db2.gz UHFWJRUKFWVVNK-KRWDZBQOSA-N 1 3 305.466 2.310 20 0 DEADHO C[C@H](CNC(=O)[C@@H](CN)c1ccc(F)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000358863960 147220420 /nfs/dbraw/zinc/22/04/20/147220420.db2.gz WVJAKYJYMUODOA-CPUCHLNUSA-N 1 3 321.440 2.105 20 0 DEADHO C[C@H](CNC(=O)[C@@H](CN)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000358863960 147220419 /nfs/dbraw/zinc/22/04/19/147220419.db2.gz WVJAKYJYMUODOA-CPUCHLNUSA-N 1 3 321.440 2.105 20 0 DEADHO C[C@@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)C1CCOCC1 ZINC000359242509 147289608 /nfs/dbraw/zinc/28/96/08/147289608.db2.gz QBLMJRNNUYDRNO-BEFAXECRSA-N 1 3 318.461 2.158 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)Cc2cnccn2)[C@H](C)C1 ZINC000360856071 147397070 /nfs/dbraw/zinc/39/70/70/147397070.db2.gz GFTVYHWDDIADOO-RYRKJORJSA-N 1 3 320.481 2.134 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)Cc2cnccn2)[C@H](C)C1 ZINC000360856071 147397072 /nfs/dbraw/zinc/39/70/72/147397072.db2.gz GFTVYHWDDIADOO-RYRKJORJSA-N 1 3 320.481 2.134 20 0 DEADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@H](CO)[C@H]3CCOC3)CC2)C1 ZINC000360882568 147403337 /nfs/dbraw/zinc/40/33/37/147403337.db2.gz FLERRNLVLPWIHH-NTDBWNAOSA-N 1 3 324.509 2.264 20 0 DEADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@H](CO)[C@H]3CCOC3)CC2)C1 ZINC000360882568 147403340 /nfs/dbraw/zinc/40/33/40/147403340.db2.gz FLERRNLVLPWIHH-NTDBWNAOSA-N 1 3 324.509 2.264 20 0 DEADHO CC[NH+]1CCC(NCCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000566108725 292206022 /nfs/dbraw/zinc/20/60/22/292206022.db2.gz ZJYHHGXDUSGOII-UHFFFAOYSA-N 1 3 311.376 2.367 20 0 DEADHO COC[C@@H](O)CNCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000566105321 292206054 /nfs/dbraw/zinc/20/60/54/292206054.db2.gz GTUSMPOARGJSFB-FCEWJHQRSA-N 1 3 320.477 2.261 20 0 DEADHO COC[C@@H](O)CNCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000566105321 292206055 /nfs/dbraw/zinc/20/60/55/292206055.db2.gz GTUSMPOARGJSFB-FCEWJHQRSA-N 1 3 320.477 2.261 20 0 DEADHO CCCNC(=O)CCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000127047748 401717835 /nfs/dbraw/zinc/71/78/35/401717835.db2.gz QREORXQIHIPHRK-UHFFFAOYSA-N 1 3 317.477 2.199 20 0 DEADHO C[C@@H](C(=O)NCC1(C[NH+](C)C)CCCC1)N1[C@H](C)CC[C@@H]1C ZINC000129143065 401799587 /nfs/dbraw/zinc/79/95/87/401799587.db2.gz MXKGRNJMFFPTGL-XHSDSOJGSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cccc(F)c1 ZINC000128156947 401765370 /nfs/dbraw/zinc/76/53/70/401765370.db2.gz JASKLKWUUAXVPY-ZFWWWQNUSA-N 1 3 307.413 2.064 20 0 DEADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CCCN1C ZINC000114075180 401791525 /nfs/dbraw/zinc/79/15/25/401791525.db2.gz QJCXZMDHORCPAV-KRWDZBQOSA-N 1 3 303.450 2.191 20 0 DEADHO FC(F)(F)CN1CCC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000130151148 401820515 /nfs/dbraw/zinc/82/05/15/401820515.db2.gz GGCFNUGGJVEIFQ-KGLIPLIRSA-N 1 3 305.388 2.230 20 0 DEADHO FC(F)(F)CN1CCC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000130151148 401820517 /nfs/dbraw/zinc/82/05/17/401820517.db2.gz GGCFNUGGJVEIFQ-KGLIPLIRSA-N 1 3 305.388 2.230 20 0 DEADHO FC(F)(F)CN1CCC([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000130151148 401820520 /nfs/dbraw/zinc/82/05/20/401820520.db2.gz GGCFNUGGJVEIFQ-KGLIPLIRSA-N 1 3 305.388 2.230 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000078602129 401858253 /nfs/dbraw/zinc/85/82/53/401858253.db2.gz KXMSDKRJRYSNCM-QGZVFWFLSA-N 1 3 324.513 2.282 20 0 DEADHO CC[N@@H+]1CC[C@H](NCCNC(=O)c2ccc(C)c(F)c2)[C@H](C)C1 ZINC000133898593 401896395 /nfs/dbraw/zinc/89/63/95/401896395.db2.gz FAUBTOTWCIDESD-PBHICJAKSA-N 1 3 321.440 2.184 20 0 DEADHO CC[N@H+]1CC[C@H](NCCNC(=O)c2ccc(C)c(F)c2)[C@H](C)C1 ZINC000133898593 401896397 /nfs/dbraw/zinc/89/63/97/401896397.db2.gz FAUBTOTWCIDESD-PBHICJAKSA-N 1 3 321.440 2.184 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc(F)c3)CC2)CC1 ZINC000050802460 402029855 /nfs/dbraw/zinc/02/98/55/402029855.db2.gz MUMPGWVSYWUNEW-UHFFFAOYSA-N 1 3 319.424 2.114 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2)C1)N(C)C ZINC000152336554 402090182 /nfs/dbraw/zinc/09/01/82/402090182.db2.gz DIWVJPUAHZRINV-IRXDYDNUSA-N 1 3 303.450 2.107 20 0 DEADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)C1CC[NH+](C)CC1 ZINC000153094273 402126634 /nfs/dbraw/zinc/12/66/34/402126634.db2.gz XHTFDXIHQWSQFL-UHFFFAOYSA-N 1 3 317.477 2.355 20 0 DEADHO COCC[N@H+](C)CCCN[C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000153796458 402171214 /nfs/dbraw/zinc/17/12/14/402171214.db2.gz WSJOHIGYCULRDL-HNNXBMFYSA-N 1 3 322.449 2.467 20 0 DEADHO COCC[N@@H+](C)CCCN[C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000153796458 402171216 /nfs/dbraw/zinc/17/12/16/402171216.db2.gz WSJOHIGYCULRDL-HNNXBMFYSA-N 1 3 322.449 2.467 20 0 DEADHO CC[C@@H](C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[NH+](C)C ZINC000155245033 402250119 /nfs/dbraw/zinc/25/01/19/402250119.db2.gz BKXYGLMSQGFVMM-YOEHRIQHSA-N 1 3 318.465 2.063 20 0 DEADHO CCC[NH+]1CCC(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC000155555715 402260402 /nfs/dbraw/zinc/26/04/02/402260402.db2.gz KLOLIBUVIBCSJR-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176191436 402288706 /nfs/dbraw/zinc/28/87/06/402288706.db2.gz LJXRPXGAUMTSEB-OWCLPIDISA-N 1 3 310.486 2.033 20 0 DEADHO CN(CCN(C)C1CC1)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000185403767 402350376 /nfs/dbraw/zinc/35/03/76/402350376.db2.gz ZDMRLLHPTKJTLV-HNNXBMFYSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(C)CCN(C)C2CC2)C1 ZINC000185141731 402327581 /nfs/dbraw/zinc/32/75/81/402327581.db2.gz BOAYBRYIGDURAJ-IYBDPMFKSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N(C)CCN(C)C2CC2)C1 ZINC000185141731 402327584 /nfs/dbraw/zinc/32/75/84/402327584.db2.gz BOAYBRYIGDURAJ-IYBDPMFKSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)N1CCCCCC1 ZINC000237468936 402408945 /nfs/dbraw/zinc/40/89/45/402408945.db2.gz AIDZJVMMALYPOJ-HNNXBMFYSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](CN)c1ccccc1 ZINC000237516847 402410884 /nfs/dbraw/zinc/41/08/84/402410884.db2.gz NXJAPVFPBFMNLG-HPFXQQBRSA-N 1 3 317.477 2.212 20 0 DEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](CN)c1ccccc1 ZINC000237516847 402410886 /nfs/dbraw/zinc/41/08/86/402410886.db2.gz NXJAPVFPBFMNLG-HPFXQQBRSA-N 1 3 317.477 2.212 20 0 DEADHO Cc1ccccc1CN1CCC(NC(=O)CC(C)(C)[NH3+])CC1 ZINC000237727050 402418900 /nfs/dbraw/zinc/41/89/00/402418900.db2.gz NMNRRKAGBNOTDT-UHFFFAOYSA-N 1 3 303.450 2.203 20 0 DEADHO NC[C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000237800941 402421833 /nfs/dbraw/zinc/42/18/33/402421833.db2.gz HYMSAPZTFLOYQM-MSOLQXFVSA-N 1 3 315.461 2.206 20 0 DEADHO N[C@@H](CC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000237901085 402425389 /nfs/dbraw/zinc/42/53/89/402425389.db2.gz XPPQGLAQQFKSNG-ROUUACIJSA-N 1 3 315.461 2.457 20 0 DEADHO N[C@@H](CC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000237901085 402425393 /nfs/dbraw/zinc/42/53/93/402425393.db2.gz XPPQGLAQQFKSNG-ROUUACIJSA-N 1 3 315.461 2.457 20 0 DEADHO N[C@@H](CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)c1ccccc1 ZINC000237965087 402428675 /nfs/dbraw/zinc/42/86/75/402428675.db2.gz SLSARTYQGISROY-SFHVURJKSA-N 1 3 323.440 2.124 20 0 DEADHO N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000238070071 402436324 /nfs/dbraw/zinc/43/63/24/402436324.db2.gz CJMBGIQLJLAYKF-MSOLQXFVSA-N 1 3 315.461 2.033 20 0 DEADHO N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000238070486 402436340 /nfs/dbraw/zinc/43/63/40/402436340.db2.gz CJMBGIQLJLAYKF-ROUUACIJSA-N 1 3 315.461 2.033 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000177879925 402442063 /nfs/dbraw/zinc/44/20/63/402442063.db2.gz RZBQQHNVHVJPRZ-SJORKVTESA-N 1 3 324.513 2.234 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000177879925 402442065 /nfs/dbraw/zinc/44/20/65/402442065.db2.gz RZBQQHNVHVJPRZ-SJORKVTESA-N 1 3 324.513 2.234 20 0 DEADHO CCC[C@@H](N)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000236966847 402390111 /nfs/dbraw/zinc/39/01/11/402390111.db2.gz FQLXXTZOTFTLTN-QGZVFWFLSA-N 1 3 303.450 2.416 20 0 DEADHO [NH3+]CC1(C(=O)NC2CCN(Cc3ccccc3)CC2)CCCC1 ZINC000163409001 402449020 /nfs/dbraw/zinc/44/90/20/402449020.db2.gz FFJQTJXTVJLVGW-UHFFFAOYSA-N 1 3 315.461 2.286 20 0 DEADHO C[C@]1(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC[NH2+]C1 ZINC000163620427 402454072 /nfs/dbraw/zinc/45/40/72/402454072.db2.gz KQWARAFUKVXYLI-BBRMVZONSA-N 1 3 307.463 2.001 20 0 DEADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000245392666 402454879 /nfs/dbraw/zinc/45/48/79/402454879.db2.gz BISLOYBBHCQFRL-NVXWUHKLSA-N 1 3 320.481 2.319 20 0 DEADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000245392666 402454880 /nfs/dbraw/zinc/45/48/80/402454880.db2.gz BISLOYBBHCQFRL-NVXWUHKLSA-N 1 3 320.481 2.319 20 0 DEADHO CCO[C@H]1C[C@](N)(C(=O)Nc2cccc(CN(C)C)c2)C1(C)C ZINC000186711195 402458434 /nfs/dbraw/zinc/45/84/34/402458434.db2.gz SOMTYCAMWGWOSL-YJBOKZPZSA-N 1 3 319.449 2.219 20 0 DEADHO CCO[C@H]1C[C@](N)(C(=O)Nc2cccc(C[NH+](C)C)c2)C1(C)C ZINC000186711195 402458438 /nfs/dbraw/zinc/45/84/38/402458438.db2.gz SOMTYCAMWGWOSL-YJBOKZPZSA-N 1 3 319.449 2.219 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@@H](C)C[NH2+]C)c1cccc(OC)c1 ZINC000163966860 402458903 /nfs/dbraw/zinc/45/89/03/402458903.db2.gz BQFYHIIDMUTXBB-YOEHRIQHSA-N 1 3 321.465 2.050 20 0 DEADHO O=C(C[C@H]1CCC[NH2+]1)NCc1ccccc1CN1CCCCC1 ZINC000163891211 402459065 /nfs/dbraw/zinc/45/90/65/402459065.db2.gz OBTXEKFAIJGTRD-GOSISDBHSA-N 1 3 315.461 2.431 20 0 DEADHO C[C@H](CC(=O)N1CCN(C2CCCC2)CC1)C1CC[NH2+]CC1 ZINC000164450302 402462969 /nfs/dbraw/zinc/46/29/69/402462969.db2.gz MGHAIUVLEWDADE-OAHLLOKOSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)[NH2+]CCC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000165039904 402471971 /nfs/dbraw/zinc/47/19/71/402471971.db2.gz SHAVOGZNQJLAER-KRWDZBQOSA-N 1 3 303.450 2.328 20 0 DEADHO C[C@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)[C@@H](N)c1ccccc1 ZINC000165322412 402475130 /nfs/dbraw/zinc/47/51/30/402475130.db2.gz OFUQFIQDEOAXDG-ZMSDIMECSA-N 1 3 303.450 2.123 20 0 DEADHO C[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)[C@@H](N)c1ccccc1 ZINC000165322412 402475131 /nfs/dbraw/zinc/47/51/31/402475131.db2.gz OFUQFIQDEOAXDG-ZMSDIMECSA-N 1 3 303.450 2.123 20 0 DEADHO CN(C(=O)C[C@H]1CCC[NH2+]1)C1CCN(Cc2ccccc2)CC1 ZINC000167671079 402493070 /nfs/dbraw/zinc/49/30/70/402493070.db2.gz MOIVUMSKSKWZFF-QGZVFWFLSA-N 1 3 315.461 2.252 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CN1Cc1ccccc1 ZINC000178831395 402544526 /nfs/dbraw/zinc/54/45/26/402544526.db2.gz JHXVMGJPGKAEQX-XOYOTBSWSA-N 1 3 315.461 2.283 20 0 DEADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@H](C)C[NH2+]C ZINC000178845325 402546176 /nfs/dbraw/zinc/54/61/76/402546176.db2.gz AXDFUBGMOAGOBH-WMZOPIPTSA-N 1 3 317.477 2.213 20 0 DEADHO C[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H](N)c1ccccc1 ZINC000246836461 402546734 /nfs/dbraw/zinc/54/67/34/402546734.db2.gz ZQSNDFDCYULBNN-FSUMODHMSA-N 1 3 315.461 2.454 20 0 DEADHO C[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H](N)c1ccccc1 ZINC000246836461 402546737 /nfs/dbraw/zinc/54/67/37/402546737.db2.gz ZQSNDFDCYULBNN-FSUMODHMSA-N 1 3 315.461 2.454 20 0 DEADHO Cc1ccc(C(=O)NCCN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1F ZINC000246967706 402551360 /nfs/dbraw/zinc/55/13/60/402551360.db2.gz IZJFBGGPRVMHCA-CKEIUWERSA-N 1 3 321.440 2.182 20 0 DEADHO Cc1ccc(C(=O)NCCN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1F ZINC000246967706 402551364 /nfs/dbraw/zinc/55/13/64/402551364.db2.gz IZJFBGGPRVMHCA-CKEIUWERSA-N 1 3 321.440 2.182 20 0 DEADHO CN1CCC[C@@H](CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000247095082 402556665 /nfs/dbraw/zinc/55/66/65/402556665.db2.gz JHVDHTLXZDJPEX-DOTOQJQBSA-N 1 3 324.513 2.138 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000246187523 402516700 /nfs/dbraw/zinc/51/67/00/402516700.db2.gz MFPYQUAHWVTNIL-SJORKVTESA-N 1 3 324.513 2.234 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000246187523 402516703 /nfs/dbraw/zinc/51/67/03/402516703.db2.gz MFPYQUAHWVTNIL-SJORKVTESA-N 1 3 324.513 2.234 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000246296550 402523320 /nfs/dbraw/zinc/52/33/20/402523320.db2.gz ACHHLDAVLSEVLZ-IAGOWNOFSA-N 1 3 324.513 2.138 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000246296550 402523322 /nfs/dbraw/zinc/52/33/22/402523322.db2.gz ACHHLDAVLSEVLZ-IAGOWNOFSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)CC(C)(C)[NH3+])CC1 ZINC000178769199 402537142 /nfs/dbraw/zinc/53/71/42/402537142.db2.gz AZKMFAVLYJIVIL-AWEZNQCLSA-N 1 3 303.450 2.456 20 0 DEADHO C[C@H](CCNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C)[NH+]1CCCCC1 ZINC000248493266 402593116 /nfs/dbraw/zinc/59/31/16/402593116.db2.gz PBBNJGFSNPMYGL-BRWVUGGUSA-N 1 3 324.513 2.233 20 0 DEADHO CCN(CCC[NH+](C)C)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000248684681 402603546 /nfs/dbraw/zinc/60/35/46/402603546.db2.gz FYNPSVKBCABGJN-CVEARBPZSA-N 1 3 312.502 2.090 20 0 DEADHO CCOCCC[N@@H+]1CC[C@@H](NCCOC(F)(F)F)[C@@H](C)C1 ZINC000249103300 402620936 /nfs/dbraw/zinc/62/09/36/402620936.db2.gz PXKMEPBREAMGNE-QWHCGFSZSA-N 1 3 312.376 2.249 20 0 DEADHO CCOCCC[N@H+]1CC[C@@H](NCCOC(F)(F)F)[C@@H](C)C1 ZINC000249103300 402620938 /nfs/dbraw/zinc/62/09/38/402620938.db2.gz PXKMEPBREAMGNE-QWHCGFSZSA-N 1 3 312.376 2.249 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)C[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000249584159 402635372 /nfs/dbraw/zinc/63/53/72/402635372.db2.gz SHZTZWBRMMBCON-NXHRZFHOSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H]1NCCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)[C@H]1C ZINC000262919717 402736110 /nfs/dbraw/zinc/73/61/10/402736110.db2.gz ZGEXJUXQRZSTRC-CABCVRRESA-N 1 3 301.434 2.105 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174927579 402763940 /nfs/dbraw/zinc/76/39/40/402763940.db2.gz LEWLHHHBOKTJLA-GOSISDBHSA-N 1 3 317.477 2.307 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174927579 402763942 /nfs/dbraw/zinc/76/39/42/402763942.db2.gz LEWLHHHBOKTJLA-GOSISDBHSA-N 1 3 317.477 2.307 20 0 DEADHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)C(C)(C)C[NH+](C)C ZINC000175808962 402834634 /nfs/dbraw/zinc/83/46/34/402834634.db2.gz LZXIAMOGKIALTH-CQSZACIVSA-N 1 3 305.466 2.454 20 0 DEADHO C[C@H](CC[NH+](C)C)NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000264777403 402892517 /nfs/dbraw/zinc/89/25/17/402892517.db2.gz ORYPVLOZHHSLHP-CVEARBPZSA-N 1 3 320.481 2.146 20 0 DEADHO COCCOCCN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272388713 402931140 /nfs/dbraw/zinc/93/11/40/402931140.db2.gz CNKNUCHCTIOKKA-SJLPKXTDSA-N 1 3 306.450 2.150 20 0 DEADHO COCCOCCN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272388713 402931141 /nfs/dbraw/zinc/93/11/41/402931141.db2.gz CNKNUCHCTIOKKA-SJLPKXTDSA-N 1 3 306.450 2.150 20 0 DEADHO CN(C(=O)[C@@H]1CCN(CC[C@H]2CCC[N@@H+]2C)C1)c1ccccc1 ZINC000280492508 403005550 /nfs/dbraw/zinc/00/55/50/403005550.db2.gz ARVVISWTJBHUJD-IAGOWNOFSA-N 1 3 315.461 2.456 20 0 DEADHO CN(C(=O)[C@@H]1CCN(CC[C@H]2CCC[N@H+]2C)C1)c1ccccc1 ZINC000280492508 403005551 /nfs/dbraw/zinc/00/55/51/403005551.db2.gz ARVVISWTJBHUJD-IAGOWNOFSA-N 1 3 315.461 2.456 20 0 DEADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000273159780 402978232 /nfs/dbraw/zinc/97/82/32/402978232.db2.gz BAZSBGOWSNMOEL-CQSZACIVSA-N 1 3 309.454 2.337 20 0 DEADHO C[C@@H](N[C@@H]1C=C[C@H](CO)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274823533 403091272 /nfs/dbraw/zinc/09/12/72/403091272.db2.gz BXTGGMMUGMMZCZ-QXCFHYIPSA-N 1 3 300.446 2.424 20 0 DEADHO C[C@@H](N[C@@H]1C=C[C@H](CO)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274823533 403091274 /nfs/dbraw/zinc/09/12/74/403091274.db2.gz BXTGGMMUGMMZCZ-QXCFHYIPSA-N 1 3 300.446 2.424 20 0 DEADHO COCCN(C)CC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000268826494 403118292 /nfs/dbraw/zinc/11/82/92/403118292.db2.gz IMYBVMSODHFHOF-MJGOQNOKSA-N 1 3 319.493 2.065 20 0 DEADHO COCC[C@](C)(O)C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000268911054 403121350 /nfs/dbraw/zinc/12/13/50/403121350.db2.gz MYWHGOGAWTVNQH-YJBOKZPZSA-N 1 3 324.465 2.065 20 0 DEADHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C(C)(C)N)cc2)C1 ZINC000269278649 403127585 /nfs/dbraw/zinc/12/75/85/403127585.db2.gz YWTGUDLARWVSEO-CYBMUJFWSA-N 1 3 305.422 2.083 20 0 DEADHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C(C)(C)N)cc2)C1 ZINC000269278649 403127588 /nfs/dbraw/zinc/12/75/88/403127588.db2.gz YWTGUDLARWVSEO-CYBMUJFWSA-N 1 3 305.422 2.083 20 0 DEADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000277398501 403213327 /nfs/dbraw/zinc/21/33/27/403213327.db2.gz DQUSMFZVTAFHAW-CRAIPNDOSA-N 1 3 315.461 2.013 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000342712774 403317824 /nfs/dbraw/zinc/31/78/24/403317824.db2.gz AMZWNGWZERSSNY-RRQGHBQHSA-N 1 3 303.450 2.314 20 0 DEADHO COCCOCC[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285549958 403324668 /nfs/dbraw/zinc/32/46/68/403324668.db2.gz MFOJDBAPMDWBJD-LJQANCHMSA-N 1 3 318.461 2.247 20 0 DEADHO COCCOCC[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285549958 403324670 /nfs/dbraw/zinc/32/46/70/403324670.db2.gz MFOJDBAPMDWBJD-LJQANCHMSA-N 1 3 318.461 2.247 20 0 DEADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H](C)N1CCCCCC1 ZINC000345582057 403390638 /nfs/dbraw/zinc/39/06/38/403390638.db2.gz GNQHPJXPIMGUQI-CVEARBPZSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)N(CC)CC ZINC000342912291 403393168 /nfs/dbraw/zinc/39/31/68/403393168.db2.gz BSKCPIJIKVERKP-QGZVFWFLSA-N 1 3 305.466 2.485 20 0 DEADHO C[NH2+]CCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000285846840 403393937 /nfs/dbraw/zinc/39/39/37/403393937.db2.gz XGOGSUNUDXZKIW-NVXWUHKLSA-N 1 3 303.450 2.107 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000345679299 403433524 /nfs/dbraw/zinc/43/35/24/403433524.db2.gz WSNOTOVHPSOWOW-HLLBOEOZSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000345679299 403433526 /nfs/dbraw/zinc/43/35/26/403433526.db2.gz WSNOTOVHPSOWOW-HLLBOEOZSA-N 1 3 307.482 2.240 20 0 DEADHO [NH3+]C[C@H]1CC[C@@H](NC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000332332966 403552882 /nfs/dbraw/zinc/55/28/82/403552882.db2.gz RFCGZHVWPUGQBO-DLBZAZTESA-N 1 3 322.497 2.021 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)N1CCCCC1 ZINC000346336554 403585738 /nfs/dbraw/zinc/58/57/38/403585738.db2.gz XYSGTIIRAJCWJJ-SJLPKXTDSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)N1CCCCC1 ZINC000346336554 403585741 /nfs/dbraw/zinc/58/57/41/403585741.db2.gz XYSGTIIRAJCWJJ-SJLPKXTDSA-N 1 3 307.482 2.051 20 0 DEADHO COc1ccc([C@H](CN[C@H](C)C2C[NH2+]C2)N2CCCC2)cc1 ZINC000422762213 286373121 /nfs/dbraw/zinc/37/31/21/286373121.db2.gz SCEZPEQVYXBQAC-KDOFPFPSSA-N 1 3 303.450 2.030 20 0 DEADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2cccc3c2OCO3)CC1 ZINC000333122301 403671391 /nfs/dbraw/zinc/67/13/91/403671391.db2.gz IJMMHMLFVFRAEP-NVXWUHKLSA-N 1 3 318.417 2.134 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000347390772 403690860 /nfs/dbraw/zinc/69/08/60/403690860.db2.gz MJVAOOOYHKYDTB-IRXDYDNUSA-N 1 3 307.482 2.051 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000347390772 403690863 /nfs/dbraw/zinc/69/08/63/403690863.db2.gz MJVAOOOYHKYDTB-IRXDYDNUSA-N 1 3 307.482 2.051 20 0 DEADHO CCOC[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000347414701 403701246 /nfs/dbraw/zinc/70/12/46/403701246.db2.gz LADYKAQZOJBDAM-IPQPSQTFSA-N 1 3 318.461 2.169 20 0 DEADHO CCOC[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000347414701 403701247 /nfs/dbraw/zinc/70/12/47/403701247.db2.gz LADYKAQZOJBDAM-IPQPSQTFSA-N 1 3 318.461 2.169 20 0 DEADHO Cc1cncc([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000343870125 403768586 /nfs/dbraw/zinc/76/85/86/403768586.db2.gz XMOBHXQXBNASGY-WBAXXEDZSA-N 1 3 303.450 2.418 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000340956930 403712676 /nfs/dbraw/zinc/71/26/76/403712676.db2.gz OGTAVHABWRUJQQ-BBWFWOEESA-N 1 3 324.513 2.138 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000340956930 403712679 /nfs/dbraw/zinc/71/26/79/403712679.db2.gz OGTAVHABWRUJQQ-BBWFWOEESA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NCC2([NH+](C)C)CCCCCC2)CCN1C ZINC000340984071 403723172 /nfs/dbraw/zinc/72/31/72/403723172.db2.gz AIWMYGRGWNISLN-HZPDHXFCSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCCN(C)[C@@H]2C)C1 ZINC000343877267 403771885 /nfs/dbraw/zinc/77/18/85/403771885.db2.gz OOKXRFRZTQIUMS-BZUAXINKSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCCN(C)[C@@H]2C)C1 ZINC000343877267 403771890 /nfs/dbraw/zinc/77/18/90/403771890.db2.gz OOKXRFRZTQIUMS-BZUAXINKSA-N 1 3 324.513 2.279 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000341042259 403748413 /nfs/dbraw/zinc/74/84/13/403748413.db2.gz AYDNIUMZMVOVAQ-HOTGVXAUSA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000341042259 403748415 /nfs/dbraw/zinc/74/84/15/403748415.db2.gz AYDNIUMZMVOVAQ-HOTGVXAUSA-N 1 3 324.513 2.280 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCN1CCC[C@@H](C)C1 ZINC000303613380 403756435 /nfs/dbraw/zinc/75/64/35/403756435.db2.gz OTFDNDQOULLAFO-IAGOWNOFSA-N 1 3 324.513 2.282 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCCN1CCC[C@@H](C)C1 ZINC000303613380 403756436 /nfs/dbraw/zinc/75/64/36/403756436.db2.gz OTFDNDQOULLAFO-IAGOWNOFSA-N 1 3 324.513 2.282 20 0 DEADHO CCCN1CCC([N@H+](C)C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000303979621 403757985 /nfs/dbraw/zinc/75/79/85/403757985.db2.gz DTZZVNKZEVLJEY-QGZVFWFLSA-N 1 3 324.440 2.372 20 0 DEADHO CCCN1CCC([N@@H+](C)C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000303979621 403757989 /nfs/dbraw/zinc/75/79/89/403757989.db2.gz DTZZVNKZEVLJEY-QGZVFWFLSA-N 1 3 324.440 2.372 20 0 DEADHO C[N@@H+]1CCCC[C@H]1CCN1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000351645248 403825931 /nfs/dbraw/zinc/82/59/31/403825931.db2.gz MIYTYKDDOVUTKK-IRXDYDNUSA-N 1 3 307.482 2.099 20 0 DEADHO C[N@H+]1CCCC[C@H]1CCN1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000351645248 403825937 /nfs/dbraw/zinc/82/59/37/403825937.db2.gz MIYTYKDDOVUTKK-IRXDYDNUSA-N 1 3 307.482 2.099 20 0 DEADHO CC1CCC(N(C(=O)C[NH2+][C@@H]2CCCC[C@H]2N)C2CC2)CC1 ZINC000333600313 403789266 /nfs/dbraw/zinc/78/92/66/403789266.db2.gz QHRWBYQEIUCSKG-GMGZGELVSA-N 1 3 307.482 2.416 20 0 DEADHO COc1cccc([C@@H](C)[NH2+]C[C@@H](O)CN2CCC(C)CC2)c1 ZINC000304731568 403800327 /nfs/dbraw/zinc/80/03/27/403800327.db2.gz RFENUZWROYFFLU-NVXWUHKLSA-N 1 3 306.450 2.439 20 0 DEADHO C[C@@H](CNC(=O)c1ccc2c(c1)CNC2)[N@@H+]1CCCC[C@@H]1C ZINC000347672987 403800287 /nfs/dbraw/zinc/80/02/87/403800287.db2.gz PZIJKHQHRAEYIM-KBPBESRZSA-N 1 3 301.434 2.283 20 0 DEADHO C[C@@H](CNC(=O)c1ccc2c(c1)CNC2)[N@H+]1CCCC[C@@H]1C ZINC000347672987 403800290 /nfs/dbraw/zinc/80/02/90/403800290.db2.gz PZIJKHQHRAEYIM-KBPBESRZSA-N 1 3 301.434 2.283 20 0 DEADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CCN1C ZINC000341165734 403803720 /nfs/dbraw/zinc/80/37/20/403803720.db2.gz NWWYDTDWHQDUAH-BFYDXBDKSA-N 1 3 322.497 2.127 20 0 DEADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CCN1C ZINC000341165734 403803723 /nfs/dbraw/zinc/80/37/23/403803723.db2.gz NWWYDTDWHQDUAH-BFYDXBDKSA-N 1 3 322.497 2.127 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)CN2CCCCC2)C[C@H]1C ZINC000361756412 403846540 /nfs/dbraw/zinc/84/65/40/403846540.db2.gz USHPMZGADRNCQP-BBWFWOEESA-N 1 3 324.513 2.375 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)CN2CCCCC2)C[C@H]1C ZINC000361756412 403846541 /nfs/dbraw/zinc/84/65/41/403846541.db2.gz USHPMZGADRNCQP-BBWFWOEESA-N 1 3 324.513 2.375 20 0 DEADHO C[C@H]1CCN(C)CCN1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000361845381 403903550 /nfs/dbraw/zinc/90/35/50/403903550.db2.gz ZGBZSNQLQPFPLQ-HNNXBMFYSA-N 1 3 322.497 2.129 20 0 DEADHO CCOC1CC(CN2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)C1 ZINC000351844894 403955106 /nfs/dbraw/zinc/95/51/06/403955106.db2.gz OITHALHUTKZYGN-YYZRRKBYSA-N 1 3 323.525 2.292 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N[C@H]2CCCN(C)[C@H]2C)CC1 ZINC000344261242 404016088 /nfs/dbraw/zinc/01/60/88/404016088.db2.gz VYHOWZRCWNUYGL-HOCLYGCPSA-N 1 3 310.486 2.033 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000363067357 404061858 /nfs/dbraw/zinc/06/18/58/404061858.db2.gz GGVYSLHZDZOZKW-SJORKVTESA-N 1 3 316.449 2.497 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000363067357 404061862 /nfs/dbraw/zinc/06/18/62/404061862.db2.gz GGVYSLHZDZOZKW-SJORKVTESA-N 1 3 316.449 2.497 20 0 DEADHO COCCOc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000290312041 404119363 /nfs/dbraw/zinc/11/93/63/404119363.db2.gz CFEXHPMPEINFDC-QAPCUYQASA-N 1 3 306.450 2.484 20 0 DEADHO COCCOc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000290312041 404119369 /nfs/dbraw/zinc/11/93/69/404119369.db2.gz CFEXHPMPEINFDC-QAPCUYQASA-N 1 3 306.450 2.484 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000349104299 404123056 /nfs/dbraw/zinc/12/30/56/404123056.db2.gz DABUPMDCZZYRDB-KRWDZBQOSA-N 1 3 307.482 2.338 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000349104299 404123057 /nfs/dbraw/zinc/12/30/57/404123057.db2.gz DABUPMDCZZYRDB-KRWDZBQOSA-N 1 3 307.482 2.338 20 0 DEADHO c1ccc(CC[NH+]2CCC(NCCc3cnccn3)CC2)cc1 ZINC000341879871 404229217 /nfs/dbraw/zinc/22/92/17/404229217.db2.gz UZGGRFLMCKRKLY-UHFFFAOYSA-N 1 3 310.445 2.316 20 0 DEADHO C[C@@H](CC[NH+](C)C)NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000344699388 404315689 /nfs/dbraw/zinc/31/56/89/404315689.db2.gz NKNRLSCSNVIQRT-HNNXBMFYSA-N 1 3 312.502 2.090 20 0 DEADHO CC[NH+](CC)CCOCCNCC1=Cc2ccccc2OC1 ZINC000350313786 404365600 /nfs/dbraw/zinc/36/56/00/404365600.db2.gz IDDLWZIFRLMVTI-UHFFFAOYSA-N 1 3 304.434 2.410 20 0 DEADHO Cc1ncsc1CN1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000350461921 404393574 /nfs/dbraw/zinc/39/35/74/404393574.db2.gz OLHOYVXQTWRUDF-UHFFFAOYSA-N 1 3 322.522 2.301 20 0 DEADHO CC[NH+](CC)CC1CCN(C(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC000344872589 404419131 /nfs/dbraw/zinc/41/91/31/404419131.db2.gz LXYDKAXRQYDNSB-HOTGVXAUSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2)CN(C)C ZINC000291759715 404509769 /nfs/dbraw/zinc/50/97/69/404509769.db2.gz RGSFMUJNPMQJNJ-LBPRGKRZSA-N 1 3 316.405 2.093 20 0 DEADHO C[C@H](N[C@H]1C=C[C@@H](CO)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000345057489 404522626 /nfs/dbraw/zinc/52/26/26/404522626.db2.gz TTXCHKADJYBJPC-UXLLHSPISA-N 1 3 304.434 2.215 20 0 DEADHO C[C@H](N[C@@H]1C=C[C@@H](CO)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000345057490 404522718 /nfs/dbraw/zinc/52/27/18/404522718.db2.gz TTXCHKADJYBJPC-ZMSDIMECSA-N 1 3 304.434 2.215 20 0 DEADHO C[C@@H]1CN(c2ccccc2C[N@@H+]2CC[C@@H](CN(C)C)C2)CCO1 ZINC000297286072 404536608 /nfs/dbraw/zinc/53/66/08/404536608.db2.gz ANNPUYNXLYGION-SJORKVTESA-N 1 3 317.477 2.295 20 0 DEADHO C[C@@H]1CN(c2ccccc2C[N@H+]2CC[C@@H](CN(C)C)C2)CCO1 ZINC000297286072 404536616 /nfs/dbraw/zinc/53/66/16/404536616.db2.gz ANNPUYNXLYGION-SJORKVTESA-N 1 3 317.477 2.295 20 0 DEADHO CN1CCC(C[NH2+][C@@H]2CCCC23CCC3)(N2CCOCC2)CC1 ZINC000414180505 404538076 /nfs/dbraw/zinc/53/80/76/404538076.db2.gz BJAZBBNJPICZSG-QGZVFWFLSA-N 1 3 321.509 2.095 20 0 DEADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCCN(C)C2CC2)C1 ZINC000352675145 404538618 /nfs/dbraw/zinc/53/86/18/404538618.db2.gz DUZIGBOVKNCGTK-GJZGRUSLSA-N 1 3 324.513 2.136 20 0 DEADHO CO[C@@H]1COC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000414192532 404543973 /nfs/dbraw/zinc/54/39/73/404543973.db2.gz VXRWHVOELHAYLW-XCDZQEORSA-N 1 3 316.445 2.185 20 0 DEADHO C[C@@H]1CCC[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)[C@@H]1C ZINC000414200319 404546950 /nfs/dbraw/zinc/54/69/50/404546950.db2.gz RTJNISRPBKSNMG-KURKYZTESA-N 1 3 323.525 2.197 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1cnc(N(C)C)n1C ZINC000414283519 404564908 /nfs/dbraw/zinc/56/49/08/404564908.db2.gz JIXPCZKWKCBIQB-HNNXBMFYSA-N 1 3 307.486 2.230 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCCNCc1cnc(N(C)C)n1C ZINC000414283519 404564919 /nfs/dbraw/zinc/56/49/19/404564919.db2.gz JIXPCZKWKCBIQB-HNNXBMFYSA-N 1 3 307.486 2.230 20 0 DEADHO Cc1ccc(NC(=O)CCNC[C@H]2CCC[N@@H+](C(C)C)C2)nc1 ZINC000567492605 292318092 /nfs/dbraw/zinc/31/80/92/292318092.db2.gz HWNNNARFLRJGIE-MRXNPFEDSA-N 1 3 318.465 2.429 20 0 DEADHO Cc1ccc(NC(=O)CCNC[C@H]2CCC[N@H+](C(C)C)C2)nc1 ZINC000567492605 292318094 /nfs/dbraw/zinc/31/80/94/292318094.db2.gz HWNNNARFLRJGIE-MRXNPFEDSA-N 1 3 318.465 2.429 20 0 DEADHO Cc1ccc(NC(=O)CC[NH2+]C[C@H]2CCCN(C(C)C)C2)nc1 ZINC000567492605 292318096 /nfs/dbraw/zinc/31/80/96/292318096.db2.gz HWNNNARFLRJGIE-MRXNPFEDSA-N 1 3 318.465 2.429 20 0 DEADHO C[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000365347415 404626307 /nfs/dbraw/zinc/62/63/07/404626307.db2.gz HBZUVIVYXOMQPN-AWEZNQCLSA-N 1 3 309.498 2.343 20 0 DEADHO O=C(c1cccc(CN2CCCC2)c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000365358437 404630989 /nfs/dbraw/zinc/63/09/89/404630989.db2.gz OKOXLQBVZZJIQX-FUHWJXTLSA-N 1 3 313.445 2.106 20 0 DEADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000567518419 292319482 /nfs/dbraw/zinc/31/94/82/292319482.db2.gz PWMOPQWOUIUWQH-QAPCUYQASA-N 1 3 317.477 2.203 20 0 DEADHO Cc1ccc([C@H](C)[N@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)c(C)c1 ZINC000414670632 404704478 /nfs/dbraw/zinc/70/44/78/404704478.db2.gz DIHXOHVKDVQONF-IRXDYDNUSA-N 1 3 317.477 2.494 20 0 DEADHO Cc1ccc([C@H](C)[N@@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)c(C)c1 ZINC000414670632 404704480 /nfs/dbraw/zinc/70/44/80/404704480.db2.gz DIHXOHVKDVQONF-IRXDYDNUSA-N 1 3 317.477 2.494 20 0 DEADHO Clc1ccc2ncc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)n2c1 ZINC000414767794 404728205 /nfs/dbraw/zinc/72/82/05/404728205.db2.gz KLWCVYUYMJWLFN-BETUJISGSA-N 1 3 304.825 2.419 20 0 DEADHO c1cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c2c(c1)OCCCO2 ZINC000414773771 404730423 /nfs/dbraw/zinc/73/04/23/404730423.db2.gz XSULTGXXWDGYOT-GASCZTMLSA-N 1 3 302.418 2.279 20 0 DEADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NC1CC[NH2+]CC1 ZINC000414782339 404733738 /nfs/dbraw/zinc/73/37/38/404733738.db2.gz OQBQSYSWAKXYBF-ZDUSSCGKSA-N 1 3 323.868 2.419 20 0 DEADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C1CCNCC1 ZINC000414782339 404733740 /nfs/dbraw/zinc/73/37/40/404733740.db2.gz OQBQSYSWAKXYBF-ZDUSSCGKSA-N 1 3 323.868 2.419 20 0 DEADHO Fc1ccc(C(F)(F)F)cc1CNCCCN1CC[NH2+]CC1 ZINC000414784638 404734613 /nfs/dbraw/zinc/73/46/13/404734613.db2.gz SXAKYUUBDDPQPW-UHFFFAOYSA-N 1 3 319.346 2.229 20 0 DEADHO CN1CCC(CC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000365876610 404737746 /nfs/dbraw/zinc/73/77/46/404737746.db2.gz DIUKJWABDRQNEW-SJLPKXTDSA-N 1 3 319.493 2.194 20 0 DEADHO CN1CCC(CC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000365876610 404737749 /nfs/dbraw/zinc/73/77/49/404737749.db2.gz DIUKJWABDRQNEW-SJLPKXTDSA-N 1 3 319.493 2.194 20 0 DEADHO CC[C@H](C[NH2+]Cc1ccccc1N1CCN(CC)CC1)OC ZINC000353083905 404739105 /nfs/dbraw/zinc/73/91/05/404739105.db2.gz SDLMQJXHELRXSN-QGZVFWFLSA-N 1 3 305.466 2.343 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000365893773 404740873 /nfs/dbraw/zinc/74/08/73/404740873.db2.gz IBUCHXCAAGKHAY-INIZCTEOSA-N 1 3 315.461 2.495 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000365893773 404740874 /nfs/dbraw/zinc/74/08/74/404740874.db2.gz IBUCHXCAAGKHAY-INIZCTEOSA-N 1 3 315.461 2.495 20 0 DEADHO C[C@H](CC(=O)NCCc1ccccc1)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000414813889 404741074 /nfs/dbraw/zinc/74/10/74/404741074.db2.gz YUNQVBRXXZRXJW-NXHRZFHOSA-N 1 3 317.477 2.231 20 0 DEADHO C[C@H](CC(=O)NCCc1ccccc1)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000414813889 404741077 /nfs/dbraw/zinc/74/10/77/404741077.db2.gz YUNQVBRXXZRXJW-NXHRZFHOSA-N 1 3 317.477 2.231 20 0 DEADHO COc1ccc(CNCC[C@@H]2CC[NH2+]C2)c(OC(F)F)c1 ZINC000414824570 404742572 /nfs/dbraw/zinc/74/25/72/404742572.db2.gz AWDCKSWIIJSSHZ-NSHDSACASA-N 1 3 300.349 2.386 20 0 DEADHO Fc1ccc(CCN2CCC(NC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000414845019 404748119 /nfs/dbraw/zinc/74/81/19/404748119.db2.gz LKPWPXIKIQZOHT-GOSISDBHSA-N 1 3 305.441 2.174 20 0 DEADHO COc1cc(OC)c(OC)cc1CNCC[C@H]1CCC[NH2+]C1 ZINC000414855161 404749073 /nfs/dbraw/zinc/74/90/73/404749073.db2.gz VUNYCCHBFYMIMU-CYBMUJFWSA-N 1 3 308.422 2.192 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(C2CCCC2)CC1 ZINC000358290732 404759310 /nfs/dbraw/zinc/75/93/10/404759310.db2.gz IGHRIVHHHLBAKJ-KRWDZBQOSA-N 1 3 322.497 2.131 20 0 DEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(C2CCCC2)CC1 ZINC000358290732 404759313 /nfs/dbraw/zinc/75/93/13/404759313.db2.gz IGHRIVHHHLBAKJ-KRWDZBQOSA-N 1 3 322.497 2.131 20 0 DEADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC[C@H]2CCCOC2)cc1 ZINC000414891655 404760812 /nfs/dbraw/zinc/76/08/12/404760812.db2.gz VZCCZFRUHUWTOK-FHLIZLRMSA-N 1 3 304.434 2.157 20 0 DEADHO CC(C)CC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)C1CCCC1 ZINC000414694023 404709441 /nfs/dbraw/zinc/70/94/41/404709441.db2.gz CPQOCHOCTVOOHG-INIZCTEOSA-N 1 3 309.498 2.474 20 0 DEADHO CC(C)CC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)C1CCCC1 ZINC000414694023 404709445 /nfs/dbraw/zinc/70/94/45/404709445.db2.gz CPQOCHOCTVOOHG-INIZCTEOSA-N 1 3 309.498 2.474 20 0 DEADHO CC(C)CC[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414697022 404710578 /nfs/dbraw/zinc/71/05/78/404710578.db2.gz CCWOMSUOWGFWPX-DLBZAZTESA-N 1 3 309.498 2.474 20 0 DEADHO CC(C)CC[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414697022 404710582 /nfs/dbraw/zinc/71/05/82/404710582.db2.gz CCWOMSUOWGFWPX-DLBZAZTESA-N 1 3 309.498 2.474 20 0 DEADHO CC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H](C)c1ccc(F)cc1 ZINC000414705908 404712326 /nfs/dbraw/zinc/71/23/26/404712326.db2.gz NZAPELYXMZPDDE-CABCVRRESA-N 1 3 321.440 2.406 20 0 DEADHO CC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H](C)c1ccc(F)cc1 ZINC000414705908 404712327 /nfs/dbraw/zinc/71/23/27/404712327.db2.gz NZAPELYXMZPDDE-CABCVRRESA-N 1 3 321.440 2.406 20 0 DEADHO CC[C@H]1Cc2ccccc2C[N@@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414733117 404719104 /nfs/dbraw/zinc/71/91/04/404719104.db2.gz CMZVCHPYFNTPMD-YJBOKZPZSA-N 1 3 315.461 2.021 20 0 DEADHO CC[C@H]1Cc2ccccc2C[N@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414733117 404719106 /nfs/dbraw/zinc/71/91/06/404719106.db2.gz CMZVCHPYFNTPMD-YJBOKZPZSA-N 1 3 315.461 2.021 20 0 DEADHO C[C@@H]1C[C@H](CN2CCC[C@@H](Oc3ncccc3F)C2)CC[NH2+]1 ZINC000414740913 404721022 /nfs/dbraw/zinc/72/10/22/404721022.db2.gz KHUNGPMVBQLXHM-RBSFLKMASA-N 1 3 307.413 2.452 20 0 DEADHO CSc1ccccc1C[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414747810 404722559 /nfs/dbraw/zinc/72/25/59/404722559.db2.gz SVIAUZPAGMIRRQ-CQSZACIVSA-N 1 3 321.490 2.038 20 0 DEADHO CSc1ccccc1C[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414747810 404722564 /nfs/dbraw/zinc/72/25/64/404722564.db2.gz SVIAUZPAGMIRRQ-CQSZACIVSA-N 1 3 321.490 2.038 20 0 DEADHO C[C@H]1NCCC[C@H]1[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000414958287 404776135 /nfs/dbraw/zinc/77/61/35/404776135.db2.gz RPTPYJPDHPOIGU-VQIMIIECSA-N 1 3 301.478 2.424 20 0 DEADHO CC(C)C[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)N1CCOCC1 ZINC000353460773 404836215 /nfs/dbraw/zinc/83/62/15/404836215.db2.gz LIHOPZCWAHOTHI-HCXYKTFWSA-N 1 3 323.525 2.196 20 0 DEADHO CC(C)C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)N1CCOCC1 ZINC000353460773 404836216 /nfs/dbraw/zinc/83/62/16/404836216.db2.gz LIHOPZCWAHOTHI-HCXYKTFWSA-N 1 3 323.525 2.196 20 0 DEADHO CC[C@@H](N)C[NH2+]Cc1ccc(OC)c2oc(C(=O)OC)cc21 ZINC000414979369 404780074 /nfs/dbraw/zinc/78/00/74/404780074.db2.gz NTOYHOUOTKUJJD-LLVKDONJSA-N 1 3 306.362 2.055 20 0 DEADHO O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CCCCN1 ZINC000366335826 404786960 /nfs/dbraw/zinc/78/69/60/404786960.db2.gz XCXCFHDOQLLSPQ-KRWDZBQOSA-N 1 3 307.482 2.289 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000359234828 404787293 /nfs/dbraw/zinc/78/72/93/404787293.db2.gz YQUZFHMLKXVCHP-CVEARBPZSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000359234828 404787295 /nfs/dbraw/zinc/78/72/95/404787295.db2.gz YQUZFHMLKXVCHP-CVEARBPZSA-N 1 3 322.497 2.177 20 0 DEADHO CO[C@]1(C[NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)CCOC1 ZINC000359431734 404792956 /nfs/dbraw/zinc/79/29/56/404792956.db2.gz UVJNXZWZXGWZNP-JQHSSLGASA-N 1 3 310.482 2.425 20 0 DEADHO CC[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1ccc(C)cc1 ZINC000415081378 404803281 /nfs/dbraw/zinc/80/32/81/404803281.db2.gz MUHCHQPRKBXAHF-NVXWUHKLSA-N 1 3 303.450 2.233 20 0 DEADHO CCN1CCN(c2cccc(NCC3CC[NH2+]CC3)c2)CC1 ZINC000415100688 404807971 /nfs/dbraw/zinc/80/79/71/404807971.db2.gz GXLNKVDXFLQNHK-UHFFFAOYSA-N 1 3 302.466 2.240 20 0 DEADHO Cc1ccc(NC(=O)N[C@@H](C)CCC[NH3+])c(OCCN(C)C)c1 ZINC000415201271 404826391 /nfs/dbraw/zinc/82/63/91/404826391.db2.gz FYIIQKRAOLOCSA-AWEZNQCLSA-N 1 3 322.453 2.184 20 0 DEADHO CC1CC[NH+](CCc2cccc(NC(=O)[C@H]3CCN3)c2)CC1 ZINC000423846015 404887722 /nfs/dbraw/zinc/88/77/22/404887722.db2.gz NGTBNBYCIOJCPZ-QGZVFWFLSA-N 1 3 301.434 2.261 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)NC1(C[NH3+])CCCC1 ZINC000415584411 404889279 /nfs/dbraw/zinc/88/92/79/404889279.db2.gz WPVVVCXPRKCPSY-UHFFFAOYSA-N 1 3 304.438 2.184 20 0 DEADHO Cn1ccnc1[C@@H](O)C1CC[NH+](CC[C@H]2CCCCN2C)CC1 ZINC000366878566 404862676 /nfs/dbraw/zinc/86/26/76/404862676.db2.gz MMUWKASAJLYIDC-SJORKVTESA-N 1 3 320.481 2.040 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000416897812 404956166 /nfs/dbraw/zinc/95/61/66/404956166.db2.gz YBMPSJNDQIQYBB-YOEHRIQHSA-N 1 3 318.465 2.017 20 0 DEADHO CC[N@H+](CCNC(=O)Nc1ccc2c(c1)CNCC2)C(C)C ZINC000415881678 404960247 /nfs/dbraw/zinc/96/02/47/404960247.db2.gz IUEGHMNNWYNOTH-UHFFFAOYSA-N 1 3 304.438 2.184 20 0 DEADHO CC[N@@H+](CCNC(=O)Nc1ccc2c(c1)CNCC2)C(C)C ZINC000415881678 404960251 /nfs/dbraw/zinc/96/02/51/404960251.db2.gz IUEGHMNNWYNOTH-UHFFFAOYSA-N 1 3 304.438 2.184 20 0 DEADHO CC[NH2+]Cc1cccc(NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)c1 ZINC000415923859 404972333 /nfs/dbraw/zinc/97/23/33/404972333.db2.gz VRIDOBRJMMUKQX-RDJZCZTQSA-N 1 3 316.449 2.354 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)N1CCN[C@@H](C)[C@@H]1C)CC(C)C ZINC000416943020 404969702 /nfs/dbraw/zinc/96/97/02/404969702.db2.gz BRXKNANQKSBQCT-JYJNAYRXSA-N 1 3 312.502 2.135 20 0 DEADHO CC1(C)CC(NC(=O)NC[C@@H](N)c2ccccc2)CC(C)(C)[NH2+]1 ZINC000416788186 404909998 /nfs/dbraw/zinc/90/99/98/404909998.db2.gz AXHSWDDDSHFIQP-OAHLLOKOSA-N 1 3 318.465 2.295 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000416797280 404914950 /nfs/dbraw/zinc/91/49/50/404914950.db2.gz AKOYTLWALGMTJM-UAGQMJEPSA-N 1 3 318.465 2.058 20 0 DEADHO CN(C)[C@H](CNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000416797850 404915181 /nfs/dbraw/zinc/91/51/81/404915181.db2.gz BOHFRSRQIFRIPA-DJIMGWMZSA-N 1 3 318.465 2.106 20 0 DEADHO CC(C)[C@@H](CNC(=O)CC[C@@H](C)[NH3+])N1CCc2ccccc2C1 ZINC000434689692 404923686 /nfs/dbraw/zinc/92/36/86/404923686.db2.gz CBUAFTFFZPWHKW-CRAIPNDOSA-N 1 3 317.477 2.313 20 0 DEADHO CCN(CC)[C@H](CNC(=O)NCC(C)(C)[NH3+])c1ccccc1 ZINC000416834457 404928075 /nfs/dbraw/zinc/92/80/75/404928075.db2.gz DLMVYMUQMGGUGI-OAHLLOKOSA-N 1 3 306.454 2.106 20 0 DEADHO CN(C(=O)C1CCN(Cc2ccccc2)CC1)[C@@H](C[NH3+])C1CC1 ZINC000423944240 404939831 /nfs/dbraw/zinc/93/98/31/404939831.db2.gz HGVJPQFRVJTURL-SFHVURJKSA-N 1 3 315.461 2.094 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2C[C@H](C)NC[C@H]2C)C1 ZINC000417042586 405016118 /nfs/dbraw/zinc/01/61/18/405016118.db2.gz LRUBAGIKBYKNIR-VVLHAWIVSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2C[C@H](C)NC[C@H]2C)C1 ZINC000417042586 405016122 /nfs/dbraw/zinc/01/61/22/405016122.db2.gz LRUBAGIKBYKNIR-VVLHAWIVSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)n1cncc1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000424145312 405020800 /nfs/dbraw/zinc/02/08/00/405020800.db2.gz NEWMUJHWJVNALP-HOTGVXAUSA-N 1 3 308.470 2.443 20 0 DEADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1cccc(CN(C)C)c1 ZINC000417059645 405022309 /nfs/dbraw/zinc/02/23/09/405022309.db2.gz CAXZRAUELRJSMR-QGZVFWFLSA-N 1 3 320.481 2.263 20 0 DEADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCCN1CCCOCC1 ZINC000361334666 405027262 /nfs/dbraw/zinc/02/72/62/405027262.db2.gz HCOKCOJQWKTRAS-QZTJIDSGSA-N 1 3 311.514 2.199 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)CCCC[NH3+])CCN1Cc1ccccc1 ZINC000379660479 405028326 /nfs/dbraw/zinc/02/83/26/405028326.db2.gz CFBMIGUUJWWSCO-NVXWUHKLSA-N 1 3 303.450 2.285 20 0 DEADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000382716240 405032034 /nfs/dbraw/zinc/03/20/34/405032034.db2.gz DQUWPJKRHKOGBK-RYRKJORJSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@H]([NH2+]C[C@](C)(O)C1CC1)c1cccc(OCCN(C)C)c1 ZINC000361351222 405034644 /nfs/dbraw/zinc/03/46/44/405034644.db2.gz KNKXBMMWJNAIGC-KSSFIOAISA-N 1 3 306.450 2.439 20 0 DEADHO CCC(CC)[C@H](CNC(=O)N1C[C@@H](C)NC[C@H]1C)[NH+]1CCCC1 ZINC000416958079 404977063 /nfs/dbraw/zinc/97/70/63/404977063.db2.gz OPQANGDCXZMHEE-INMHGKMJSA-N 1 3 324.513 2.279 20 0 DEADHO CC[C@@H](C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)N(CC)CC ZINC000424046799 404983627 /nfs/dbraw/zinc/98/36/27/404983627.db2.gz WGVVDXANNBZLNS-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000389932014 405041487 /nfs/dbraw/zinc/04/14/87/405041487.db2.gz LIUGGNKOVLMBQD-RYRKJORJSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@H](C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)[C@H](N)c1ccccc1 ZINC000424225135 405043768 /nfs/dbraw/zinc/04/37/68/405043768.db2.gz PFMUTBAESLRNGY-VYDXJSESSA-N 1 3 315.461 2.313 20 0 DEADHO Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000391147265 405048756 /nfs/dbraw/zinc/04/87/56/405048756.db2.gz VAXJTJSWEFAVBH-SJLPKXTDSA-N 1 3 318.461 2.117 20 0 DEADHO Cc1cccc(C)c1OC[C@H](O)CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000391147265 405048757 /nfs/dbraw/zinc/04/87/57/405048757.db2.gz VAXJTJSWEFAVBH-SJLPKXTDSA-N 1 3 318.461 2.117 20 0 DEADHO Cc1cccc(C)c1OC[C@H](O)CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000391147265 405048760 /nfs/dbraw/zinc/04/87/60/405048760.db2.gz VAXJTJSWEFAVBH-SJLPKXTDSA-N 1 3 318.461 2.117 20 0 DEADHO C[C@H](C[NH3+])NC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000417213824 405064553 /nfs/dbraw/zinc/06/45/53/405064553.db2.gz JTXLDNWKJZAGPU-NVXWUHKLSA-N 1 3 318.465 2.106 20 0 DEADHO CCC[NH2+]CCNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000417218132 405065874 /nfs/dbraw/zinc/06/58/74/405065874.db2.gz GBSFOOMXJPUDEX-RDJZCZTQSA-N 1 3 318.465 2.121 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCN(C)Cc1ccccc1 ZINC000417226532 405068023 /nfs/dbraw/zinc/06/80/23/405068023.db2.gz ALALCXLCUACLFE-RDJZCZTQSA-N 1 3 318.465 2.030 20 0 DEADHO CCN(Cc1cccc(F)c1)C(=O)C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424335945 405071819 /nfs/dbraw/zinc/07/18/19/405071819.db2.gz PTNBUJUQCFQMBJ-HZPDHXFCSA-N 1 3 307.413 2.034 20 0 DEADHO O=C1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CN1 ZINC000354166932 405079113 /nfs/dbraw/zinc/07/91/13/405079113.db2.gz ZQIAKBRLZAOIFX-OOKSDGMUSA-N 1 3 313.445 2.050 20 0 DEADHO O=C1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CN1 ZINC000354166932 405079116 /nfs/dbraw/zinc/07/91/16/405079116.db2.gz ZQIAKBRLZAOIFX-OOKSDGMUSA-N 1 3 313.445 2.050 20 0 DEADHO Cc1cc(CN)cc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000424431813 405093143 /nfs/dbraw/zinc/09/31/43/405093143.db2.gz AZFIQYCHZFSIFH-GOEBONIOSA-N 1 3 302.422 2.202 20 0 DEADHO Cc1cc(CN)cc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000424431813 405093144 /nfs/dbraw/zinc/09/31/44/405093144.db2.gz AZFIQYCHZFSIFH-GOEBONIOSA-N 1 3 302.422 2.202 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000418187621 405116358 /nfs/dbraw/zinc/11/63/58/405116358.db2.gz SVSNJYCKQHVPFP-DIECFANBSA-N 1 3 318.465 2.057 20 0 DEADHO CC[NH2+][C@H](C)CNC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000418599469 405134413 /nfs/dbraw/zinc/13/44/13/405134413.db2.gz HZQHIASQOOUBDL-MRXNPFEDSA-N 1 3 320.481 2.066 20 0 DEADHO CC1(C)CCCN(CCNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000418675071 405162186 /nfs/dbraw/zinc/16/21/86/405162186.db2.gz WWGAHHUURXKSCG-WKILWMFISA-N 1 3 324.513 2.173 20 0 DEADHO C[C@H](CCCC[NH3+])NC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000418717683 405179229 /nfs/dbraw/zinc/17/92/29/405179229.db2.gz ZPUUZVFFZHCKRZ-HZPDHXFCSA-N 1 3 310.486 2.164 20 0 DEADHO C[C@H]1CN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CCN(C2CCC2)C1 ZINC000418757365 405195026 /nfs/dbraw/zinc/19/50/26/405195026.db2.gz ZBUAPKOVJHYFLY-CVEARBPZSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H](CCC[NH3+])NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000418689380 405168549 /nfs/dbraw/zinc/16/85/49/405168549.db2.gz OMCMOTPRJKSCDK-HNNXBMFYSA-N 1 3 310.486 2.021 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN(C)CCC2CCOCC2)cc1 ZINC000420302064 405311778 /nfs/dbraw/zinc/31/17/78/405311778.db2.gz LXIRTVJEXZNASH-QGZVFWFLSA-N 1 3 306.450 2.486 20 0 DEADHO C[N@H+](CCCc1ccccc1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420303495 405312520 /nfs/dbraw/zinc/31/25/20/405312520.db2.gz KLPFKUJDDZFIAS-PMACEKPBSA-N 1 3 312.457 2.482 20 0 DEADHO C[N@@H+](CCCc1ccccc1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420303495 405312523 /nfs/dbraw/zinc/31/25/23/405312523.db2.gz KLPFKUJDDZFIAS-PMACEKPBSA-N 1 3 312.457 2.482 20 0 DEADHO CN(CCCc1ccccc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420303495 405312524 /nfs/dbraw/zinc/31/25/24/405312524.db2.gz KLPFKUJDDZFIAS-PMACEKPBSA-N 1 3 312.457 2.482 20 0 DEADHO CCc1nsc(N2CCCN(CC[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000420308042 405314026 /nfs/dbraw/zinc/31/40/26/405314026.db2.gz CIPAVXFNXAZESE-CQSZACIVSA-N 1 3 323.510 2.002 20 0 DEADHO CN(CC[C@@H]1CC[NH2+]C1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000420311021 405314375 /nfs/dbraw/zinc/31/43/75/405314375.db2.gz VRYAABQUUXKTMI-RDJZCZTQSA-N 1 3 301.434 2.113 20 0 DEADHO CN(C)C(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H](CN)Cc1ccccc1 ZINC000420309915 405314627 /nfs/dbraw/zinc/31/46/27/405314627.db2.gz LRZCEMVORFUOAX-QZTJIDSGSA-N 1 3 317.477 2.137 20 0 DEADHO CN(C)C(=O)CC[N@H+]1CCCC[C@@H]1[C@@H](CN)Cc1ccccc1 ZINC000420309915 405314629 /nfs/dbraw/zinc/31/46/29/405314629.db2.gz LRZCEMVORFUOAX-QZTJIDSGSA-N 1 3 317.477 2.137 20 0 DEADHO CSc1ccccc1CN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000420309479 405314924 /nfs/dbraw/zinc/31/49/24/405314924.db2.gz LMJZAJYLZVNPLG-OAHLLOKOSA-N 1 3 321.490 2.228 20 0 DEADHO C[NH2+]CCC1CCN(Cc2cc(-c3cnn(C)c3C)no2)CC1 ZINC000420313475 405315310 /nfs/dbraw/zinc/31/53/10/405315310.db2.gz UBKVLAGDJDBKGO-UHFFFAOYSA-N 1 3 317.437 2.205 20 0 DEADHO C[C@@H]1CCCC[C@H]1OCCN1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420324242 405319396 /nfs/dbraw/zinc/31/93/96/405319396.db2.gz HFHFUFXTQGMGKN-BRWVUGGUSA-N 1 3 310.482 2.269 20 0 DEADHO CCc1cnc(N2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)s1 ZINC000420327763 405320857 /nfs/dbraw/zinc/32/08/57/405320857.db2.gz ZCPFSZWPNZGBEN-AWEZNQCLSA-N 1 3 308.495 2.217 20 0 DEADHO C[C@H](C(=O)NCC1CCCCC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329062 405321388 /nfs/dbraw/zinc/32/13/88/405321388.db2.gz FZUBHQJLGULAEM-OIISXLGYSA-N 1 3 307.482 2.003 20 0 DEADHO CNC(=O)c1cccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000420331149 405322204 /nfs/dbraw/zinc/32/22/04/405322204.db2.gz CVVMZFUYQQDXBG-QGZVFWFLSA-N 1 3 301.434 2.010 20 0 DEADHO C[C@@H](C(=O)NC1CCC(C)CC1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420337013 405324658 /nfs/dbraw/zinc/32/46/58/405324658.db2.gz JGXSAJGJALRGBD-NNCLKIPCSA-N 1 3 321.509 2.391 20 0 DEADHO CN(CC1CCCCC1)C(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420339996 405325026 /nfs/dbraw/zinc/32/50/26/405325026.db2.gz ZOUFQRLOMRNQQO-ZWKOTPCHSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@@H]1CCC[C@H](NC(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)[C@H]1C ZINC000420338995 405325109 /nfs/dbraw/zinc/32/51/09/405325109.db2.gz LGDBQSQFUXREGN-FPSMNIFISA-N 1 3 321.509 2.249 20 0 DEADHO CCN1C[C@H](C)N(C[C@@H](C[NH3+])c2ccc(OC)cc2)C[C@@H]1C ZINC000420363072 405332114 /nfs/dbraw/zinc/33/21/14/405332114.db2.gz OXIPIIUYOBICGP-YQQAZPJKSA-N 1 3 305.466 2.152 20 0 DEADHO [NH3+]CC1(O)CCN(CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000420404250 405344519 /nfs/dbraw/zinc/34/45/19/405344519.db2.gz MLWCOESMYXCORG-UHFFFAOYSA-N 1 3 319.232 2.158 20 0 DEADHO O=C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CCCN1C1CCCC1 ZINC000440118676 405302304 /nfs/dbraw/zinc/30/23/04/405302304.db2.gz NVPYFBVOZAFUMA-GOSISDBHSA-N 1 3 319.493 2.384 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000440175258 405304715 /nfs/dbraw/zinc/30/47/15/405304715.db2.gz BIUKUMJYONVEGK-IAGOWNOFSA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000440175258 405304717 /nfs/dbraw/zinc/30/47/17/405304717.db2.gz BIUKUMJYONVEGK-IAGOWNOFSA-N 1 3 324.513 2.280 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)N(C)C[C@@H]2CCCN2C)CC1 ZINC000420780635 405382450 /nfs/dbraw/zinc/38/24/50/405382450.db2.gz OAGHIKYGCQNFTN-KRWDZBQOSA-N 1 3 324.513 2.234 20 0 DEADHO O=C(C[C@@H]1CCC[NH2+]CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000427322615 405399450 /nfs/dbraw/zinc/39/94/50/405399450.db2.gz UFPXDPRWPWDTEV-AEFFLSMTSA-N 1 3 315.461 2.157 20 0 DEADHO O=C(C[C@@H]1CCC[NH2+]CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000427322617 405399538 /nfs/dbraw/zinc/39/95/38/405399538.db2.gz UFPXDPRWPWDTEV-SJLPKXTDSA-N 1 3 315.461 2.157 20 0 DEADHO CCN1CCC([N@@H+]2CCCN(CCc3cncs3)CC2)CC1 ZINC000420972970 405417471 /nfs/dbraw/zinc/41/74/71/405417471.db2.gz BRYNDTQELFZCGA-UHFFFAOYSA-N 1 3 322.522 2.178 20 0 DEADHO CCN1CCC([N@H+]2CCCN(CCc3cncs3)CC2)CC1 ZINC000420972970 405417474 /nfs/dbraw/zinc/41/74/74/405417474.db2.gz BRYNDTQELFZCGA-UHFFFAOYSA-N 1 3 322.522 2.178 20 0 DEADHO CC[NH+]1CCC(N2CCCN(CCc3cncs3)CC2)CC1 ZINC000420972970 405417477 /nfs/dbraw/zinc/41/74/77/405417477.db2.gz BRYNDTQELFZCGA-UHFFFAOYSA-N 1 3 322.522 2.178 20 0 DEADHO C[C@H]1CCC[N@H+](CCc2nc(-c3ccccc3)no2)[C@H]1CN ZINC000430563822 405458052 /nfs/dbraw/zinc/45/80/52/405458052.db2.gz KFBDTWYVQAYIIB-ZFWWWQNUSA-N 1 3 300.406 2.338 20 0 DEADHO C[C@H]1CCC[N@@H+](CCc2nc(-c3ccccc3)no2)[C@H]1CN ZINC000430563822 405458055 /nfs/dbraw/zinc/45/80/55/405458055.db2.gz KFBDTWYVQAYIIB-ZFWWWQNUSA-N 1 3 300.406 2.338 20 0 DEADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)NCCc2cccs2)CC1 ZINC000430583196 405461703 /nfs/dbraw/zinc/46/17/03/405461703.db2.gz MOHRDGLPBLGPMJ-AWEZNQCLSA-N 1 3 323.506 2.117 20 0 DEADHO CC(C)[C@@H]([NH3+])CCN(C)CCC(=O)NC(=O)Nc1ccccc1 ZINC000430589312 405462357 /nfs/dbraw/zinc/46/23/57/405462357.db2.gz HSGKEFFXNGJLBB-HNNXBMFYSA-N 1 3 320.437 2.030 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCCN(CCC(=O)N2CCc3ccccc32)C1 ZINC000430595644 405463722 /nfs/dbraw/zinc/46/37/22/405463722.db2.gz YEBWSRQBTIJWMC-HOCLYGCPSA-N 1 3 301.434 2.025 20 0 DEADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CCN1C1CCCC1 ZINC000635747796 405472441 /nfs/dbraw/zinc/47/24/41/405472441.db2.gz XFKYMGWIYRFXIU-YOEHRIQHSA-N 1 3 307.482 2.192 20 0 DEADHO Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCC(C[NH3+])CC1 ZINC000430636942 405473323 /nfs/dbraw/zinc/47/33/23/405473323.db2.gz AARZFTNACMEVIY-OAHLLOKOSA-N 1 3 303.450 2.013 20 0 DEADHO CC(C)C1CCC(N2CCN(C(=O)CCCC[NH3+])CC2)CC1 ZINC000577629874 405485935 /nfs/dbraw/zinc/48/59/35/405485935.db2.gz SXIVIWRTUZVJKL-UHFFFAOYSA-N 1 3 309.498 2.474 20 0 DEADHO C[C@@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCCC[C@H]1C ZINC000430764455 405503695 /nfs/dbraw/zinc/50/36/95/405503695.db2.gz SCFXAYDVATVLQO-OZSLIKBDSA-N 1 3 307.482 2.286 20 0 DEADHO CC1CCN([C@@H](CNC(=O)C2([NH3+])CCC2)c2ccccc2)CC1 ZINC000449329898 405523048 /nfs/dbraw/zinc/52/30/48/405523048.db2.gz QRVCYNBYZHIMHA-KRWDZBQOSA-N 1 3 315.461 2.457 20 0 DEADHO CC(C)N1CC[C@H](N(C)C(=O)N[C@@H](C)C[NH+]2CCCCCC2)C1 ZINC000458652528 405523863 /nfs/dbraw/zinc/52/38/63/405523863.db2.gz KEJPNXURUMMXFO-IRXDYDNUSA-N 1 3 324.513 2.375 20 0 DEADHO C[NH2+]CC1CCN(CC(=O)N(C2CC2)C2CCC(C)CC2)CC1 ZINC000430931135 405532572 /nfs/dbraw/zinc/53/25/72/405532572.db2.gz VGBKPGAWLVBDLT-UHFFFAOYSA-N 1 3 321.509 2.488 20 0 DEADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2c(C)cccc2OC)CC1 ZINC000638550750 405542484 /nfs/dbraw/zinc/54/24/84/405542484.db2.gz IROCVNKASRMKGX-MRXNPFEDSA-N 1 3 319.493 2.367 20 0 DEADHO C[NH2+]CC1CCN([C@@H](C)C(=O)N[C@H](C)c2ccccc2C)CC1 ZINC000430953390 405542904 /nfs/dbraw/zinc/54/29/04/405542904.db2.gz BSVDPDYCJFRVSG-CVEARBPZSA-N 1 3 317.477 2.492 20 0 DEADHO CC[N@H+](C)Cc1cccc(CNC[C@H](OC)[C@@H]2CCOC2)c1 ZINC000638563195 405548496 /nfs/dbraw/zinc/54/84/96/405548496.db2.gz JKTVQUOIVONJFJ-MSOLQXFVSA-N 1 3 306.450 2.279 20 0 DEADHO CC[N@@H+](C)Cc1cccc(CNC[C@H](OC)[C@@H]2CCOC2)c1 ZINC000638563195 405548500 /nfs/dbraw/zinc/54/85/00/405548500.db2.gz JKTVQUOIVONJFJ-MSOLQXFVSA-N 1 3 306.450 2.279 20 0 DEADHO C[C@H]([NH3+])C1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000430963043 405549271 /nfs/dbraw/zinc/54/92/71/405549271.db2.gz RXVNVDIPMRMWSR-IHRRRGAJSA-N 1 3 321.440 2.451 20 0 DEADHO CC(C)O[C@H](C[NH2+]CC1(O)CCN(C)CC1)c1ccccc1 ZINC000638680730 405613791 /nfs/dbraw/zinc/61/37/91/405613791.db2.gz GEOCQJHHHAAAPF-QGZVFWFLSA-N 1 3 306.450 2.199 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CC2CC[NH2+]CC2)C1 ZINC000431061071 405569408 /nfs/dbraw/zinc/56/94/08/405569408.db2.gz IQQNVXPPTXHAPH-YJBOKZPZSA-N 1 3 315.461 2.328 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000458796983 405597790 /nfs/dbraw/zinc/59/77/90/405597790.db2.gz DHXKIDMFLOQYGH-HOTGVXAUSA-N 1 3 324.513 2.233 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000458796983 405597795 /nfs/dbraw/zinc/59/77/95/405597795.db2.gz DHXKIDMFLOQYGH-HOTGVXAUSA-N 1 3 324.513 2.233 20 0 DEADHO COc1cccc(C)c1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000638738397 405641216 /nfs/dbraw/zinc/64/12/16/405641216.db2.gz JRSVCKLYUUOUBI-UHFFFAOYSA-N 1 3 306.450 2.329 20 0 DEADHO CC(C)CC[C@H](O)C[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000580555007 405641710 /nfs/dbraw/zinc/64/17/10/405641710.db2.gz AZPYCUABNOZWGA-OALUTQOASA-N 1 3 320.477 2.140 20 0 DEADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NCCN(C)C1CC1 ZINC000431692568 405661900 /nfs/dbraw/zinc/66/19/00/405661900.db2.gz PNGJEYCJYSJICJ-WBVHZDCISA-N 1 3 324.513 2.280 20 0 DEADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NC[C@H]1CCCCO1 ZINC000422708471 405676027 /nfs/dbraw/zinc/67/60/27/405676027.db2.gz XSCHQADLUVPOAT-UWWQBHOKSA-N 1 3 302.418 2.401 20 0 DEADHO Cc1ccc([C@H](C[NH2+][C@H]2CCCCC[C@@H]2N)N2CCOCC2)o1 ZINC000422798791 405684566 /nfs/dbraw/zinc/68/45/66/405684566.db2.gz SVZMYNLIBYTIGB-ULQDDVLXSA-N 1 3 321.465 2.211 20 0 DEADHO C[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)[C@H]1CCCCN1 ZINC000422902961 405691838 /nfs/dbraw/zinc/69/18/38/405691838.db2.gz VJLXFGZJRJWGJQ-MAUKXSAKSA-N 1 3 302.466 2.166 20 0 DEADHO C[C@H](NC1CCN(Cc2ccccn2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422902961 405691842 /nfs/dbraw/zinc/69/18/42/405691842.db2.gz VJLXFGZJRJWGJQ-MAUKXSAKSA-N 1 3 302.466 2.166 20 0 DEADHO CC[C@H](N[C@H](C)C1C[NH2+]C1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000423012410 405695980 /nfs/dbraw/zinc/69/59/80/405695980.db2.gz KUTCRPLKJATEOQ-FHLIZLRMSA-N 1 3 313.449 2.152 20 0 DEADHO CC[C@H]([NH2+][C@H](C)C1CNC1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000423012410 405695984 /nfs/dbraw/zinc/69/59/84/405695984.db2.gz KUTCRPLKJATEOQ-FHLIZLRMSA-N 1 3 313.449 2.152 20 0 DEADHO COC[C@@H](NCCOCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000494437442 405696994 /nfs/dbraw/zinc/69/69/94/405696994.db2.gz TVTJJKKRYOWKHV-OAHLLOKOSA-N 1 3 300.830 2.195 20 0 DEADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1(N)CCCC1 ZINC000638835365 405703018 /nfs/dbraw/zinc/70/30/18/405703018.db2.gz LFFNQJDKDOLALE-DOTOQJQBSA-N 1 3 315.461 2.142 20 0 DEADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1(N)CCCC1 ZINC000638835365 405703028 /nfs/dbraw/zinc/70/30/28/405703028.db2.gz LFFNQJDKDOLALE-DOTOQJQBSA-N 1 3 315.461 2.142 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCOc1ccc(F)c(Cl)c1 ZINC000423155059 405705434 /nfs/dbraw/zinc/70/54/34/405705434.db2.gz ISSKQDNBRVJVQX-JVLSTEMRSA-N 1 3 316.804 2.200 20 0 DEADHO CC[C@H](NCCN1CC[NH2+]CC1)c1cc(Cl)ccc1OC ZINC000423202722 405720446 /nfs/dbraw/zinc/72/04/46/405720446.db2.gz LDBUYXCVZKXDJT-HNNXBMFYSA-N 1 3 311.857 2.295 20 0 DEADHO COc1ccc2oc([C@@H](C)NCCN3CC[NH2+]CC3)c(C)c2c1 ZINC000423207512 405722813 /nfs/dbraw/zinc/72/28/13/405722813.db2.gz RSGMYBQOWMIMSY-CQSZACIVSA-N 1 3 317.433 2.306 20 0 DEADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NC[C@H](C)N(C)C ZINC000459049145 405714815 /nfs/dbraw/zinc/71/48/15/405714815.db2.gz YSMDGBXQIVDLGA-ARFHVFGLSA-N 1 3 312.502 2.136 20 0 DEADHO [NH3+]C1(CC(=O)N[C@@H]2CCCCCN(Cc3ccccc3)C2)CC1 ZINC000638852217 405715313 /nfs/dbraw/zinc/71/53/13/405715313.db2.gz VWEXEROOVGTMSM-QGZVFWFLSA-N 1 3 315.461 2.429 20 0 DEADHO CN1CCCC[C@H]1CC[NH+]1CCC(C)(N2CCOCC2)CC1 ZINC000528729443 405725682 /nfs/dbraw/zinc/72/56/82/405725682.db2.gz UDRGRJGMIXKREI-KRWDZBQOSA-N 1 3 309.498 2.048 20 0 DEADHO C[N@@H+]1CCCC[C@H]1CCN1CCC(C)(N2CCOCC2)CC1 ZINC000528729443 405725693 /nfs/dbraw/zinc/72/56/93/405725693.db2.gz UDRGRJGMIXKREI-KRWDZBQOSA-N 1 3 309.498 2.048 20 0 DEADHO C[N@H+]1CCCC[C@H]1CCN1CCC(C)(N2CCOCC2)CC1 ZINC000528729443 405725698 /nfs/dbraw/zinc/72/56/98/405725698.db2.gz UDRGRJGMIXKREI-KRWDZBQOSA-N 1 3 309.498 2.048 20 0 DEADHO c1nc(N2CCCC2)ncc1CNCCCCC[NH+]1CCCC1 ZINC000559328614 405732914 /nfs/dbraw/zinc/73/29/14/405732914.db2.gz VTJJVPPOIPTHFN-UHFFFAOYSA-N 1 3 317.481 2.433 20 0 DEADHO CSc1cc(C[NH2+]C2CCN(CC(C)(C)O)CC2)ccn1 ZINC000638899037 405748837 /nfs/dbraw/zinc/74/88/37/405748837.db2.gz ABQQQFQHLNMEFM-UHFFFAOYSA-N 1 3 309.479 2.128 20 0 DEADHO CC(C)N1CCCN(C(=O)NC2CC[NH+](C3CCC3)CC2)CC1 ZINC000459107060 405750341 /nfs/dbraw/zinc/75/03/41/405750341.db2.gz ORFYCPQSTDBMTA-UHFFFAOYSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H]1CN(CCC[NH2+]Cc2ccc([S@@](C)=O)cc2)CCCO1 ZINC000432359288 405754193 /nfs/dbraw/zinc/75/41/93/405754193.db2.gz RZBCUXOOPIFAKK-OYHNWAKOSA-N 1 3 324.490 2.015 20 0 DEADHO N[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CCC1 ZINC000423311368 405755754 /nfs/dbraw/zinc/75/57/54/405755754.db2.gz PROQUPPHBNANFK-QGZVFWFLSA-N 1 3 301.434 2.026 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)[C@H](N)c1ccccc1)[N@H+](C)C1CC1 ZINC000423385550 405784284 /nfs/dbraw/zinc/78/42/84/405784284.db2.gz RAGIALRHMVZMKM-CZUORRHYSA-N 1 3 303.450 2.312 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)[C@H](N)c1ccccc1)[N@@H+](C)C1CC1 ZINC000423385550 405784294 /nfs/dbraw/zinc/78/42/94/405784294.db2.gz RAGIALRHMVZMKM-CZUORRHYSA-N 1 3 303.450 2.312 20 0 DEADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(-n2cnnn2)cc1 ZINC000423383021 405785724 /nfs/dbraw/zinc/78/57/24/405785724.db2.gz KFBDEOGMPITMIA-ZDUSSCGKSA-N 1 3 320.400 2.116 20 0 DEADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000423410301 405796303 /nfs/dbraw/zinc/79/63/03/405796303.db2.gz ZVRDLJIJRXOILE-CVEARBPZSA-N 1 3 303.450 2.265 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H](N)CC2CCCCC2)C1 ZINC000423430118 405803509 /nfs/dbraw/zinc/80/35/09/405803509.db2.gz HWTFXOIOALFUCZ-DLBZAZTESA-N 1 3 309.498 2.474 20 0 DEADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000636128902 405763476 /nfs/dbraw/zinc/76/34/76/405763476.db2.gz OOOKVRDLRFWRPB-PKOBYXMFSA-N 1 3 315.461 2.109 20 0 DEADHO C[N@H+]1CC[C@@H](CC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000636128902 405763481 /nfs/dbraw/zinc/76/34/81/405763481.db2.gz OOOKVRDLRFWRPB-PKOBYXMFSA-N 1 3 315.461 2.109 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@H](N)c1ccccc1 ZINC000423348137 405771800 /nfs/dbraw/zinc/77/18/00/405771800.db2.gz SSEYHXUHYQGZKM-PBHICJAKSA-N 1 3 315.461 2.313 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[C@@H](N)c1ccccc1 ZINC000423348137 405771802 /nfs/dbraw/zinc/77/18/02/405771802.db2.gz SSEYHXUHYQGZKM-PBHICJAKSA-N 1 3 315.461 2.313 20 0 DEADHO CCN1CCN(CC(C)(C)[NH2+]Cc2ccc3nc[nH]c3c2)CC1 ZINC000560156643 405774927 /nfs/dbraw/zinc/77/49/27/405774927.db2.gz XJWDQOUQGOSMSV-UHFFFAOYSA-N 1 3 315.465 2.069 20 0 DEADHO C[C@H](Cc1ccsc1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000560973738 405882466 /nfs/dbraw/zinc/88/24/66/405882466.db2.gz JOGCQDREIHTABO-YPMHNXCESA-N 1 3 321.412 2.105 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000530950618 405887462 /nfs/dbraw/zinc/88/74/62/405887462.db2.gz RKUKMZMUGOKLLJ-NJAFHUGGSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000530950618 405887465 /nfs/dbraw/zinc/88/74/65/405887465.db2.gz RKUKMZMUGOKLLJ-NJAFHUGGSA-N 1 3 315.461 2.107 20 0 DEADHO CCN(CC)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000633795121 405841281 /nfs/dbraw/zinc/84/12/81/405841281.db2.gz CVECZVNZZZSKBQ-AEFFLSMTSA-N 1 3 317.477 2.213 20 0 DEADHO CCN(CC)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000633795121 405841290 /nfs/dbraw/zinc/84/12/90/405841290.db2.gz CVECZVNZZZSKBQ-AEFFLSMTSA-N 1 3 317.477 2.213 20 0 DEADHO CC[C@](C)(C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1)OC ZINC000639045447 405841633 /nfs/dbraw/zinc/84/16/33/405841633.db2.gz WXXFXIQYAHDFNC-GOSISDBHSA-N 1 3 311.514 2.151 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C[C@H]2COCCO2)CC1 ZINC000450495151 405928839 /nfs/dbraw/zinc/92/88/39/405928839.db2.gz SBXBZCUVIQLLBV-WMZOPIPTSA-N 1 3 310.482 2.378 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C[C@H]2COCCO2)CC1 ZINC000450495151 405928846 /nfs/dbraw/zinc/92/88/46/405928846.db2.gz SBXBZCUVIQLLBV-WMZOPIPTSA-N 1 3 310.482 2.378 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000423758958 405950124 /nfs/dbraw/zinc/95/01/24/405950124.db2.gz KXXQUHXSZATTOB-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000531400432 405954455 /nfs/dbraw/zinc/95/44/55/405954455.db2.gz BEYKPOSGMASDIX-CVEARBPZSA-N 1 3 324.513 2.375 20 0 DEADHO C[C@H]1C[C@H](NCc2ccncc2OCCC[NH+](C)C)CS1 ZINC000639185600 405954988 /nfs/dbraw/zinc/95/49/88/405954988.db2.gz PRIRMEJOXLMWLJ-ZFWWWQNUSA-N 1 3 309.479 2.396 20 0 DEADHO CN(C)[C@H](CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000433230858 405902620 /nfs/dbraw/zinc/90/26/20/405902620.db2.gz WBXCHNXKBBAHDU-RCCFBDPRSA-N 1 3 315.461 2.422 20 0 DEADHO CN(C)[C@H](CC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000433230858 405902624 /nfs/dbraw/zinc/90/26/24/405902624.db2.gz WBXCHNXKBBAHDU-RCCFBDPRSA-N 1 3 315.461 2.422 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1CCN(c2ccncc2)CC1)[C@H](C)[NH3+] ZINC000423782664 405965168 /nfs/dbraw/zinc/96/51/68/405965168.db2.gz IWTAAKNFKGBTQV-WMLDXEAASA-N 1 3 318.465 2.034 20 0 DEADHO COc1cccc(CC[NH2+]C2CCN(c3ccncc3)CC2)n1 ZINC000459439393 405904439 /nfs/dbraw/zinc/90/44/39/405904439.db2.gz IMRBKXACEPBACA-UHFFFAOYSA-N 1 3 312.417 2.286 20 0 DEADHO CCO[C@H](CC[NH+](C)C)CNCc1ccc(-c2cc[nH]n2)o1 ZINC000433312373 405921476 /nfs/dbraw/zinc/92/14/76/405921476.db2.gz LRFBMJVSZMPDEK-CYBMUJFWSA-N 1 3 306.410 2.116 20 0 DEADHO CCOC(=O)COc1ccc(C[N@H+](C)C[C@H]2CCN(C)C2)cc1 ZINC000434185914 406029475 /nfs/dbraw/zinc/02/94/75/406029475.db2.gz CHPYOXSXCOTCKX-INIZCTEOSA-N 1 3 320.433 2.012 20 0 DEADHO CCOC(=O)COc1ccc(C[N@@H+](C)C[C@H]2CCN(C)C2)cc1 ZINC000434185914 406029481 /nfs/dbraw/zinc/02/94/81/406029481.db2.gz CHPYOXSXCOTCKX-INIZCTEOSA-N 1 3 320.433 2.012 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)NCC[N@@H+]2CC[C@H](C)C2)c1 ZINC000531984665 406030676 /nfs/dbraw/zinc/03/06/76/406030676.db2.gz NAYLFEQBNBGMLC-GJZGRUSLSA-N 1 3 319.449 2.344 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)NCC[N@H+]2CC[C@H](C)C2)c1 ZINC000531984665 406030678 /nfs/dbraw/zinc/03/06/78/406030678.db2.gz NAYLFEQBNBGMLC-GJZGRUSLSA-N 1 3 319.449 2.344 20 0 DEADHO OC[C@@H]([C@@H]([NH2+]C1CCN(c2ccncc2)CC1)C1CC1)C1CC1 ZINC000459588525 405971461 /nfs/dbraw/zinc/97/14/61/405971461.db2.gz XSQSPZPQGPTYOO-MOPGFXCFSA-N 1 3 315.461 2.437 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000450822136 405984357 /nfs/dbraw/zinc/98/43/57/405984357.db2.gz SGISCDUUYIMXQF-IAGOWNOFSA-N 1 3 311.514 2.026 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1CN1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000450822136 405984364 /nfs/dbraw/zinc/98/43/64/405984364.db2.gz SGISCDUUYIMXQF-IAGOWNOFSA-N 1 3 311.514 2.026 20 0 DEADHO N[C@@H](CC(=O)NC1CC([NH+]2CCCCC2)C1)c1ccccc1 ZINC000423808106 405985033 /nfs/dbraw/zinc/98/50/33/405985033.db2.gz YNOAFBIODLVDOP-JCYILVPMSA-N 1 3 301.434 2.210 20 0 DEADHO CCn1cc([C@H]2OCCC[C@@H]2NC2CC[NH+](CC)CC2)cn1 ZINC000433964988 406005568 /nfs/dbraw/zinc/00/55/68/406005568.db2.gz NVZGNVNCTQZTOU-DLBZAZTESA-N 1 3 306.454 2.197 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000516554972 406098068 /nfs/dbraw/zinc/09/80/68/406098068.db2.gz GYUMDMSYLTTXNE-GJZGRUSLSA-N 1 3 310.486 2.020 20 0 DEADHO CCc1oc(CNCC[C@H]2CCC[N@H+](C)C2)cc1C(=O)OC ZINC000459796864 406050543 /nfs/dbraw/zinc/05/05/43/406050543.db2.gz WOJKHZAUBPPZSJ-CYBMUJFWSA-N 1 3 308.422 2.450 20 0 DEADHO CCc1oc(CNCC[C@H]2CCC[N@@H+](C)C2)cc1C(=O)OC ZINC000459796864 406050552 /nfs/dbraw/zinc/05/05/52/406050552.db2.gz WOJKHZAUBPPZSJ-CYBMUJFWSA-N 1 3 308.422 2.450 20 0 DEADHO CO[C@@H](CNC[C@@H]1CCC[N@H+](CC2CC2)C1)C1CCOCC1 ZINC000639338338 406054773 /nfs/dbraw/zinc/05/47/73/406054773.db2.gz UIXGPLCNTANINZ-WMZOPIPTSA-N 1 3 310.482 2.140 20 0 DEADHO CO[C@@H](CNC[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CCOCC1 ZINC000639338338 406054777 /nfs/dbraw/zinc/05/47/77/406054777.db2.gz UIXGPLCNTANINZ-WMZOPIPTSA-N 1 3 310.482 2.140 20 0 DEADHO CO[C@@H](C[NH2+]C[C@@H]1CCCN(CC2CC2)C1)C1CCOCC1 ZINC000639338338 406054782 /nfs/dbraw/zinc/05/47/82/406054782.db2.gz UIXGPLCNTANINZ-WMZOPIPTSA-N 1 3 310.482 2.140 20 0 DEADHO Cc1cnc(CCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000567646839 406111917 /nfs/dbraw/zinc/11/19/17/406111917.db2.gz DPLXOXJZEYNFOP-APWZRJJASA-N 1 3 324.428 2.173 20 0 DEADHO CC(C)[NH2+]CCCNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000519690294 406235191 /nfs/dbraw/zinc/23/51/91/406235191.db2.gz APWJKUMSIGKCDP-UHFFFAOYSA-N 1 3 312.502 2.138 20 0 DEADHO CCc1cc(N2CCC[C@H]([NH2+][C@H](C)[C@H]3CCCCN3)C2)ncn1 ZINC000569330803 406239106 /nfs/dbraw/zinc/23/91/06/406239106.db2.gz PQIKMOZDMFFKEC-HYVNUMGLSA-N 1 3 317.481 2.128 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000487511093 406239955 /nfs/dbraw/zinc/23/99/55/406239955.db2.gz GXSDCMWVOIDWHD-UHFFFAOYSA-N 1 3 315.461 2.352 20 0 DEADHO CCN(C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)[C@H]1CCN(C)C1 ZINC000637368597 406281286 /nfs/dbraw/zinc/28/12/86/406281286.db2.gz RHZWIUAQYFMUHW-SJORKVTESA-N 1 3 322.497 2.129 20 0 DEADHO CCN(C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)[C@H]1CCN(C)C1 ZINC000637368597 406281290 /nfs/dbraw/zinc/28/12/90/406281290.db2.gz RHZWIUAQYFMUHW-SJORKVTESA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(CC3CC3)CC2)C[C@@H](C)O1 ZINC000537058393 406282640 /nfs/dbraw/zinc/28/26/40/406282640.db2.gz ZVWTUYFTXRYEKJ-IAGOWNOFSA-N 1 3 323.525 2.340 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC[C@@H](O)C[N@H+](C)C1CC1)N(C)C ZINC000570038166 406336647 /nfs/dbraw/zinc/33/66/47/406336647.db2.gz XBXYSLCSWPMAGO-SUMDDJOVSA-N 1 3 319.493 2.031 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC[C@@H](O)C[N@@H+](C)C1CC1)N(C)C ZINC000570038166 406336650 /nfs/dbraw/zinc/33/66/50/406336650.db2.gz XBXYSLCSWPMAGO-SUMDDJOVSA-N 1 3 319.493 2.031 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC(C)([NH3+])CC2)cc1 ZINC000637518600 406337017 /nfs/dbraw/zinc/33/70/17/406337017.db2.gz AWJGYGUYPYRMIK-MRXNPFEDSA-N 1 3 318.465 2.333 20 0 DEADHO Cc1ccc2cc(C[N@@H+]3CC[C@H](n4cc(CN)nn4)C3)ccc2n1 ZINC000634999865 406393753 /nfs/dbraw/zinc/39/37/53/406393753.db2.gz BIMZPMNDUQRWQJ-KRWDZBQOSA-N 1 3 322.416 2.040 20 0 DEADHO Cc1ccc2cc(C[N@H+]3CC[C@H](n4cc(CN)nn4)C3)ccc2n1 ZINC000634999865 406393755 /nfs/dbraw/zinc/39/37/55/406393755.db2.gz BIMZPMNDUQRWQJ-KRWDZBQOSA-N 1 3 322.416 2.040 20 0 DEADHO C[C@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000635011738 406399460 /nfs/dbraw/zinc/39/94/60/406399460.db2.gz GNSIXFKYMOIQAM-VBQJREDUSA-N 1 3 324.490 2.171 20 0 DEADHO C[C@H](C[NH2+][C@H]1CCNCC[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000635011738 406399467 /nfs/dbraw/zinc/39/94/67/406399467.db2.gz GNSIXFKYMOIQAM-VBQJREDUSA-N 1 3 324.490 2.171 20 0 DEADHO CNC[C@](C)(O)C[N@H+](C)CCCOc1ccc(Cl)cc1 ZINC000570521323 406405303 /nfs/dbraw/zinc/40/53/03/406405303.db2.gz OVKHGVQHPNGCPH-HNNXBMFYSA-N 1 3 300.830 2.011 20 0 DEADHO CNC[C@](C)(O)C[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC000570521323 406405307 /nfs/dbraw/zinc/40/53/07/406405307.db2.gz OVKHGVQHPNGCPH-HNNXBMFYSA-N 1 3 300.830 2.011 20 0 DEADHO C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)N1CCC(C)CC1 ZINC000635437690 406536727 /nfs/dbraw/zinc/53/67/27/406536727.db2.gz PPHOVAGWLUGLOM-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000571671053 406551109 /nfs/dbraw/zinc/55/11/09/406551109.db2.gz PQGGOIVTLWPXRD-IXDOHACOSA-N 1 3 306.450 2.197 20 0 DEADHO CC(C)CC[C@H](N)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000638085039 406561825 /nfs/dbraw/zinc/56/18/25/406561825.db2.gz NTFXDYHAEMLBAX-INIZCTEOSA-N 1 3 321.465 2.007 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000548901746 406566275 /nfs/dbraw/zinc/56/62/75/406566275.db2.gz ZLFZUIZVRJMBMY-MRXNPFEDSA-N 1 3 315.461 2.109 20 0 DEADHO CO[C@]1(CN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CCOC1 ZINC000637979919 406506306 /nfs/dbraw/zinc/50/63/06/406506306.db2.gz VXEOKQDNYIOWOL-MSOLQXFVSA-N 1 3 310.482 2.236 20 0 DEADHO CO[C@]1(C[N@@H+]2CCC[C@H](CN3CCC(C)CC3)C2)CCOC1 ZINC000637979919 406506310 /nfs/dbraw/zinc/50/63/10/406506310.db2.gz VXEOKQDNYIOWOL-MSOLQXFVSA-N 1 3 310.482 2.236 20 0 DEADHO CO[C@]1(C[N@H+]2CCC[C@H](CN3CCC(C)CC3)C2)CCOC1 ZINC000637979919 406506314 /nfs/dbraw/zinc/50/63/14/406506314.db2.gz VXEOKQDNYIOWOL-MSOLQXFVSA-N 1 3 310.482 2.236 20 0 DEADHO Cc1sccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000640466307 406511961 /nfs/dbraw/zinc/51/19/61/406511961.db2.gz WKYFETKHTXNZTF-LBPRGKRZSA-N 1 3 312.483 2.450 20 0 DEADHO Cc1sccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000640466307 406511965 /nfs/dbraw/zinc/51/19/65/406511965.db2.gz WKYFETKHTXNZTF-LBPRGKRZSA-N 1 3 312.483 2.450 20 0 DEADHO C[N@H+](CCNC(=O)[C@@H]1CCN1C1CCCC1)Cc1ccccc1 ZINC000635412138 406525748 /nfs/dbraw/zinc/52/57/48/406525748.db2.gz ZSBFWBNOOMRKCY-SFHVURJKSA-N 1 3 315.461 2.252 20 0 DEADHO C[N@@H+](CCNC(=O)[C@@H]1CCN1C1CCCC1)Cc1ccccc1 ZINC000635412138 406525751 /nfs/dbraw/zinc/52/57/51/406525751.db2.gz ZSBFWBNOOMRKCY-SFHVURJKSA-N 1 3 315.461 2.252 20 0 DEADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000635568830 406595222 /nfs/dbraw/zinc/59/52/22/406595222.db2.gz NOROKOAUYZVUHI-ROUUACIJSA-N 1 3 315.461 2.109 20 0 DEADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000635568830 406595227 /nfs/dbraw/zinc/59/52/27/406595227.db2.gz NOROKOAUYZVUHI-ROUUACIJSA-N 1 3 315.461 2.109 20 0 DEADHO CC(C)[NH2+]CC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000572060031 406600612 /nfs/dbraw/zinc/60/06/12/406600612.db2.gz LMCKQJGACYOBRA-FUHWJXTLSA-N 1 3 317.477 2.496 20 0 DEADHO C[NH+](C)CCCCC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000572611564 406703389 /nfs/dbraw/zinc/70/33/89/406703389.db2.gz GZBZCZXBBZKDEV-LJQANCHMSA-N 1 3 317.477 2.499 20 0 DEADHO CC[NH2+][C@H](C)C(=O)N(CCCc1ccccc1)CCN(C)C ZINC000638276810 406666418 /nfs/dbraw/zinc/66/64/18/406666418.db2.gz QGLVNFJDRUSYIS-MRXNPFEDSA-N 1 3 305.466 2.007 20 0 DEADHO CCN(CCNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000572508039 406683006 /nfs/dbraw/zinc/68/30/06/406683006.db2.gz ODUUKUQKMUTYSV-KRWDZBQOSA-N 1 3 315.461 2.109 20 0 DEADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000572508039 406683015 /nfs/dbraw/zinc/68/30/15/406683015.db2.gz ODUUKUQKMUTYSV-KRWDZBQOSA-N 1 3 315.461 2.109 20 0 DEADHO Cc1ccc(CN(CCN(C)C)C(=O)CCCC[NH+](C)C)o1 ZINC000552371206 406705021 /nfs/dbraw/zinc/70/50/21/406705021.db2.gz VEXGGWPEVBXVAA-UHFFFAOYSA-N 1 3 309.454 2.210 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2[NH2+]CC2(C)C)N2CCCC2)cc1 ZINC000645801912 406638507 /nfs/dbraw/zinc/63/85/07/406638507.db2.gz QJAULSRCBHHDBJ-SJORKVTESA-N 1 3 315.461 2.246 20 0 DEADHO CN(CC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)CC(C)(C)C ZINC000635634820 406640022 /nfs/dbraw/zinc/64/00/22/406640022.db2.gz CSRXOOFGRAFCHF-INIZCTEOSA-N 1 3 309.498 2.155 20 0 DEADHO CN(CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)CC(C)(C)C ZINC000635634820 406640027 /nfs/dbraw/zinc/64/00/27/406640027.db2.gz CSRXOOFGRAFCHF-INIZCTEOSA-N 1 3 309.498 2.155 20 0 DEADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000553146256 406739010 /nfs/dbraw/zinc/73/90/10/406739010.db2.gz HAPDASADRJLDQO-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO CCN1CCC[C@H](NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000527801289 406754767 /nfs/dbraw/zinc/75/47/67/406754767.db2.gz SMRUYLMFUQTFPO-DOTOQJQBSA-N 1 3 322.497 2.177 20 0 DEADHO CCN1CCC[C@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000527801289 406754772 /nfs/dbraw/zinc/75/47/72/406754772.db2.gz SMRUYLMFUQTFPO-DOTOQJQBSA-N 1 3 322.497 2.177 20 0 DEADHO CN(CC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)CC(C)(C)C ZINC000638353369 406718637 /nfs/dbraw/zinc/71/86/37/406718637.db2.gz SEMRLZWTMVKRRU-MRXNPFEDSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)[C@H]1CC12CC2 ZINC000527857099 406773203 /nfs/dbraw/zinc/77/32/03/406773203.db2.gz ZSGDXWWUMQUJLK-SJLPKXTDSA-N 1 3 314.477 2.372 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000646181050 406809907 /nfs/dbraw/zinc/80/99/07/406809907.db2.gz RGADBJPYFBYRBX-ZOBUZTSGSA-N 1 3 318.465 2.249 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000646222229 406820302 /nfs/dbraw/zinc/82/03/02/406820302.db2.gz AXVUKQFCNUKBTQ-COXVUDFISA-N 1 3 301.434 2.066 20 0 DEADHO CC1(C)CN[C@@H]1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000646262976 406829866 /nfs/dbraw/zinc/82/98/66/406829866.db2.gz FYQLSJZVRXPXBO-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO CC[C@@H](C(=O)N1CCC[N@H+](CC2CCC2)CC1)N(CC)CC ZINC000555535385 406846452 /nfs/dbraw/zinc/84/64/52/406846452.db2.gz LRNOSOWAYWFNGD-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@@H](C(=O)N1CCC[N@@H+](CC2CCC2)CC1)N(CC)CC ZINC000555535385 406846456 /nfs/dbraw/zinc/84/64/56/406846456.db2.gz LRNOSOWAYWFNGD-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@H](C(=O)N[C@@H](CN1CCCCC1)c1ccccc1)[C@H](C)[NH3+] ZINC000646409849 406858821 /nfs/dbraw/zinc/85/88/21/406858821.db2.gz AQGBZRMAYXIWDT-VYDXJSESSA-N 1 3 303.450 2.313 20 0 DEADHO CC(C)([NH3+])CC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000646408751 406859081 /nfs/dbraw/zinc/85/90/81/406859081.db2.gz FVSRGCGFOWBJNK-INIZCTEOSA-N 1 3 303.450 2.457 20 0 DEADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000646409925 406859965 /nfs/dbraw/zinc/85/99/65/406859965.db2.gz FCIGSCJPYRXQKQ-RYQLBKOJSA-N 1 3 315.461 2.328 20 0 DEADHO CC1CCN(CC(=O)N(C)CCCC[NH+]2CCCCC2)CC1 ZINC000641662301 406867543 /nfs/dbraw/zinc/86/75/43/406867543.db2.gz AFAVFKIGAVFOOH-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)NC/C=C\C[NH3+])CC1 ZINC000641862905 406905187 /nfs/dbraw/zinc/90/51/87/406905187.db2.gz UXAFTMLUWSQELQ-SREVYHEPSA-N 1 3 310.486 2.043 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000641927424 406907306 /nfs/dbraw/zinc/90/73/06/406907306.db2.gz XISGHLLRWWWNQH-WBVHZDCISA-N 1 3 318.465 2.030 20 0 DEADHO C[C@@H]1C[C@@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)CO1 ZINC000647182158 406966825 /nfs/dbraw/zinc/96/68/25/406966825.db2.gz KWMDXXHQIZSKHI-NVXWUHKLSA-N 1 3 304.434 2.428 20 0 DEADHO COc1ncncc1CNCC1CC[NH+](CCC(C)C)CC1 ZINC000647190033 406967825 /nfs/dbraw/zinc/96/78/25/406967825.db2.gz FIOPTINBCCXYGV-UHFFFAOYSA-N 1 3 306.454 2.333 20 0 DEADHO COc1cccc(-c2n[nH]cc2CN2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000647509008 407009261 /nfs/dbraw/zinc/00/92/61/407009261.db2.gz FNONOBHFCMBFJM-CHWSQXEVSA-N 1 3 300.406 2.254 20 0 DEADHO C[C@@H](c1ccncc1)N1CCC([NH2+][C@@H]2CNC[C@@H](C)C2)CC1 ZINC000647550488 407019050 /nfs/dbraw/zinc/01/90/50/407019050.db2.gz UCWZHPLMGRCTIY-MPGHIAIKSA-N 1 3 302.466 2.195 20 0 DEADHO C[C@@H](c1ccncc1)N1CCC(N[C@@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC000647550488 407019053 /nfs/dbraw/zinc/01/90/53/407019053.db2.gz UCWZHPLMGRCTIY-MPGHIAIKSA-N 1 3 302.466 2.195 20 0 DEADHO COC[C@H](CCC[NH3+])NC[C@@H](OC)c1ccccc1Cl ZINC000643467505 407003665 /nfs/dbraw/zinc/00/36/65/407003665.db2.gz NEACAMXCEZHHGO-SWLSCSKDSA-N 1 3 300.830 2.371 20 0 DEADHO C[C@H](C(=O)N1CCCCCC1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976716 407091298 /nfs/dbraw/zinc/09/12/98/407091298.db2.gz SLUHRTFINRMDNU-FGTMMUONSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)C1 ZINC000647975139 407091962 /nfs/dbraw/zinc/09/19/62/407091962.db2.gz MPKMTZWJQKIIGP-XDNAFOTISA-N 1 3 321.509 2.203 20 0 DEADHO C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976776 407092621 /nfs/dbraw/zinc/09/26/21/407092621.db2.gz UFWONKBCHIMQBN-TVFCKZIOSA-N 1 3 321.509 2.393 20 0 DEADHO CC(C)CN(C(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)C1CC1 ZINC000647978135 407092752 /nfs/dbraw/zinc/09/27/52/407092752.db2.gz NBMVUDABWBTDFV-SJORKVTESA-N 1 3 321.509 2.345 20 0 DEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCc2sccc2C1 ZINC000647884574 407067371 /nfs/dbraw/zinc/06/73/71/407067371.db2.gz GOWOIDBGBCOWJY-IRXDYDNUSA-N 1 3 316.470 2.427 20 0 DEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCc2sccc2C1 ZINC000647884574 407067374 /nfs/dbraw/zinc/06/73/74/407067374.db2.gz GOWOIDBGBCOWJY-IRXDYDNUSA-N 1 3 316.470 2.427 20 0 DEADHO Fc1ccc(C2CCN(CCN3CC[NH2+]CC3)CC2)cc1F ZINC000647884504 407067511 /nfs/dbraw/zinc/06/75/11/407067511.db2.gz XEKRYXWDXSXWSJ-UHFFFAOYSA-N 1 3 309.404 2.049 20 0 DEADHO CN(CCCC1CC[NH2+]CC1)CC(=O)NCc1cccs1 ZINC000647885838 407068105 /nfs/dbraw/zinc/06/81/05/407068105.db2.gz WYEKFBKFHZNDPA-UHFFFAOYSA-N 1 3 309.479 2.076 20 0 DEADHO COc1ccccc1[C@H](N)CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000644092182 407085498 /nfs/dbraw/zinc/08/54/98/407085498.db2.gz IUVXMHKKCUTSEZ-HRCADAONSA-N 1 3 319.449 2.109 20 0 DEADHO CC[C@H]1C[C@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)CCO1 ZINC000648503488 407190413 /nfs/dbraw/zinc/19/04/13/407190413.db2.gz PIQWXPHUNPWTBI-CVEARBPZSA-N 1 3 307.438 2.069 20 0 DEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)CCC(C)(C)[NH3+] ZINC000648137436 407125594 /nfs/dbraw/zinc/12/55/94/407125594.db2.gz KOIDDRANHSIPQS-UHFFFAOYSA-N 1 3 309.429 2.233 20 0 DEADHO CC[C@H]1C[C@@H](NCc2ccncc2OCCC[NH+](C)C)CCO1 ZINC000648589250 407201917 /nfs/dbraw/zinc/20/19/17/407201917.db2.gz BWWZLVKBSJKNMW-IRXDYDNUSA-N 1 3 321.465 2.459 20 0 DEADHO C[C@H](C(=O)N1CCN(c2cc[nH+]cc2)CC1)[C@H](N)c1ccccc1 ZINC000645221454 407249099 /nfs/dbraw/zinc/24/90/99/407249099.db2.gz NIQQOJMLZUQZDL-YJBOKZPZSA-N 1 3 324.428 2.066 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)c1ccccc1CC[NH3+] ZINC000571341495 292543383 /nfs/dbraw/zinc/54/33/83/292543383.db2.gz OSWFEWBFGKSJKG-GOSISDBHSA-N 1 3 311.429 2.180 20 0 DEADHO C[C@@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)[C@H]1CCOC1 ZINC000132636750 196272941 /nfs/dbraw/zinc/27/29/41/196272941.db2.gz YIWDNWSOCVUETD-QAPCUYQASA-N 1 3 318.461 2.158 20 0 DEADHO C[C@@H]1CN(c2ccccc2CNCC2=CC[N@H+](C)CC2)CCO1 ZINC000297363280 227067551 /nfs/dbraw/zinc/06/75/51/227067551.db2.gz FZEJFLUAVXSJRM-MRXNPFEDSA-N 1 3 315.461 2.263 20 0 DEADHO C[C@@H]1CN(c2ccccc2CNCC2=CC[N@@H+](C)CC2)CCO1 ZINC000297363280 227067556 /nfs/dbraw/zinc/06/75/56/227067556.db2.gz FZEJFLUAVXSJRM-MRXNPFEDSA-N 1 3 315.461 2.263 20 0 DEADHO CC[C@H](C)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC001369434368 1148983623 /nfs/dbraw/zinc/98/36/23/1148983623.db2.gz GVBIXVHEWGFVTO-LSDHHAIUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[NH2+]CCCNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000572467192 292620829 /nfs/dbraw/zinc/62/08/29/292620829.db2.gz NUPGFHCBJKRKKX-DOTOQJQBSA-N 1 3 320.481 2.365 20 0 DEADHO Cc1nc(N2CCN(C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)sc1C ZINC000414711426 228535520 /nfs/dbraw/zinc/53/55/20/228535520.db2.gz SLEZIIJYZBIXIY-SWLSCSKDSA-N 1 3 308.495 2.270 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@@H]1C[NH3+])N(C)C ZINC000418186127 229260153 /nfs/dbraw/zinc/26/01/53/229260153.db2.gz ROSPORJUCKEJEB-UXLLHSPISA-N 1 3 318.465 2.119 20 0 DEADHO CN(C(=O)NCCCC[NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418508149 229369976 /nfs/dbraw/zinc/36/99/76/229369976.db2.gz KAMMLQKNWGEHEZ-KRWDZBQOSA-N 1 3 318.465 2.031 20 0 DEADHO N[C@H]1CCC[C@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422723751 230180388 /nfs/dbraw/zinc/18/03/88/230180388.db2.gz SIGFKLOFXWUJPQ-DLBZAZTESA-N 1 3 309.404 2.399 20 0 DEADHO [NH3+][C@H]1CCC[C@H]1NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422723751 230180390 /nfs/dbraw/zinc/18/03/90/230180390.db2.gz SIGFKLOFXWUJPQ-DLBZAZTESA-N 1 3 309.404 2.399 20 0 DEADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCCn1ccc2ccccc21 ZINC000422755504 230191781 /nfs/dbraw/zinc/19/17/81/230191781.db2.gz ICRQROFYBYEDMP-USXIJHARSA-N 1 3 301.434 2.373 20 0 DEADHO N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000422846807 230239627 /nfs/dbraw/zinc/23/96/27/230239627.db2.gz QGZMOHPEFBWFSR-IAGOWNOFSA-N 1 3 310.401 2.303 20 0 DEADHO O=C(CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)NCc1ccccc1 ZINC000422851234 230241436 /nfs/dbraw/zinc/24/14/36/230241436.db2.gz WQNTVSGHPCTTTC-KURKYZTESA-N 1 3 315.461 2.203 20 0 DEADHO Cc1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])c(N2CCOCC2)c1 ZINC000422869639 230253213 /nfs/dbraw/zinc/25/32/13/230253213.db2.gz WMXVHVOACISHJQ-WMZOPIPTSA-N 1 3 317.477 2.439 20 0 DEADHO c1ccc(C[C@@H]2C[C@@H]2N[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422927191 230280150 /nfs/dbraw/zinc/28/01/50/230280150.db2.gz YFVHKCPUDOPHHD-ZRSRNVLSSA-N 1 3 300.446 2.364 20 0 DEADHO COc1cc(OC)cc(OCCC[NH2+][C@H]2CCC[C@H]2CN)c1 ZINC000422931576 230282393 /nfs/dbraw/zinc/28/23/93/230282393.db2.gz XWFIKFKHUYHWEK-GUYCJALGSA-N 1 3 308.422 2.190 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1cccc(Br)c1 ZINC000422937013 230284906 /nfs/dbraw/zinc/28/49/06/230284906.db2.gz NMSGRQOQMDWHNV-BPNCWPANSA-N 1 3 313.239 2.291 20 0 DEADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCNC(=O)c1ccc(F)cc1 ZINC000422959242 230296163 /nfs/dbraw/zinc/29/61/63/230296163.db2.gz REIGAWDNUADIKR-GDBMZVCRSA-N 1 3 307.413 2.053 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@H]1NCCOc1ccc(C(F)(F)F)cn1 ZINC000422986919 230305631 /nfs/dbraw/zinc/30/56/31/230305631.db2.gz DVUITWVSVAIHAO-CMPLNLGQSA-N 1 3 303.328 2.196 20 0 DEADHO C[C@H]1CC[NH2+]CC[C@H]1NCCOc1cccc(C(F)(F)F)n1 ZINC000423009825 230315456 /nfs/dbraw/zinc/31/54/56/230315456.db2.gz FACKNISYOAXICN-NWDGAFQWSA-N 1 3 317.355 2.457 20 0 DEADHO Cc1ccccc1C[C@H](CO)N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423055563 230331462 /nfs/dbraw/zinc/33/14/62/230331462.db2.gz DGVNMVKDBICROK-NCXUSEDFSA-N 1 3 302.462 2.409 20 0 DEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCc1cn2c(n1)SCC2 ZINC000423074303 230339376 /nfs/dbraw/zinc/33/93/76/230339376.db2.gz UKRLJMFPOILZSO-BBRMVZONSA-N 1 3 316.474 2.079 20 0 DEADHO OC[C@H](Cc1ccc(F)cc1)N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423078752 230343215 /nfs/dbraw/zinc/34/32/15/230343215.db2.gz PEGQRPCJBJMETL-XWTMOSNGSA-N 1 3 306.425 2.239 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CCCN1C)CC(C)C ZINC000195125343 424880360 /nfs/dbraw/zinc/88/03/60/424880360.db2.gz IEPHGTSYGUVWQW-CVEARBPZSA-N 1 3 312.502 2.136 20 0 DEADHO CC[C@@H]([NH3+])C(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC000130427846 424857650 /nfs/dbraw/zinc/85/76/50/424857650.db2.gz IKBPGEVKMRLMOK-CQSZACIVSA-N 1 3 307.463 2.220 20 0 DEADHO CN(C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCN(C)CC1 ZINC000170227700 424863163 /nfs/dbraw/zinc/86/31/63/424863163.db2.gz WFAACGWGHBYZAK-QGZVFWFLSA-N 1 3 315.461 2.061 20 0 DEADHO CN(C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCN(C)CC1 ZINC000170227700 424863165 /nfs/dbraw/zinc/86/31/65/424863165.db2.gz WFAACGWGHBYZAK-QGZVFWFLSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000380945334 424908450 /nfs/dbraw/zinc/90/84/50/424908450.db2.gz OMMWOPLVTDMCOH-SZMVWBNQSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000648827579 424913039 /nfs/dbraw/zinc/91/30/39/424913039.db2.gz MZEVZMUJYPQAHO-KBAYOESNSA-N 1 3 315.461 2.060 20 0 DEADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000648827579 424913041 /nfs/dbraw/zinc/91/30/41/424913041.db2.gz MZEVZMUJYPQAHO-KBAYOESNSA-N 1 3 315.461 2.060 20 0 DEADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3CCC[NH2+]CC3)c2)CCO1 ZINC000415087912 424949894 /nfs/dbraw/zinc/94/98/94/424949894.db2.gz VQAKQHIYRLLZIF-VQIMIIECSA-N 1 3 317.477 2.139 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CCC(C)(C)[NH3+])C1 ZINC000649307315 424989973 /nfs/dbraw/zinc/98/99/73/424989973.db2.gz GKGZDGPXAMBIAD-GDBMZVCRSA-N 1 3 303.450 2.456 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000649336615 424997246 /nfs/dbraw/zinc/99/72/46/424997246.db2.gz IPQXWYQZYCLDOA-DJIMGWMZSA-N 1 3 315.461 2.011 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)N(CC)CC ZINC000649363609 425001120 /nfs/dbraw/zinc/00/11/20/425001120.db2.gz IHAAQDAYYSFFJG-BRWVUGGUSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[NH+](CCNC(=O)N(C)CCN1CCCCC1)C(C)C ZINC000650556791 425016737 /nfs/dbraw/zinc/01/67/37/425016737.db2.gz XVSNUICGBORRFF-UHFFFAOYSA-N 1 3 312.502 2.233 20 0 DEADHO COc1ccsc1CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707784 425039326 /nfs/dbraw/zinc/03/93/26/425039326.db2.gz MXYWACOUBFGZNW-YDHLFZDLSA-N 1 3 310.463 2.475 20 0 DEADHO CN(C)c1ncc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)s1 ZINC000650721972 425042893 /nfs/dbraw/zinc/04/28/93/425042893.db2.gz HJCNYRXILPXUGT-YUELXQCFSA-N 1 3 324.494 2.070 20 0 DEADHO CC(C)n1cc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cn1 ZINC000650722795 425042938 /nfs/dbraw/zinc/04/29/38/425042938.db2.gz BINUPWQPVNXBQI-GVDBMIGSSA-N 1 3 306.454 2.325 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(C)CCN1CCCCC1 ZINC000650731456 425044043 /nfs/dbraw/zinc/04/40/43/425044043.db2.gz YFOIMIZSAGNHEO-IRXDYDNUSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(C)CCN1CCCCC1 ZINC000650731456 425044044 /nfs/dbraw/zinc/04/40/44/425044044.db2.gz YFOIMIZSAGNHEO-IRXDYDNUSA-N 1 3 324.513 2.234 20 0 DEADHO Cc1c([C@@H](C)NCCC2(C[NH3+])CC2)nnn1-c1ccc(F)cc1 ZINC000650743971 425046321 /nfs/dbraw/zinc/04/63/21/425046321.db2.gz CPSLFXSNMBEBLS-GFCCVEGCSA-N 1 3 317.412 2.494 20 0 DEADHO CCO[C@H]1C[C@H](NCc2ccc(C[NH3+])cc2F)C12CCOCC2 ZINC000650754531 425047481 /nfs/dbraw/zinc/04/74/81/425047481.db2.gz LCRDOOBGXXZIHM-IRXDYDNUSA-N 1 3 322.424 2.348 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000651194535 425115203 /nfs/dbraw/zinc/11/52/03/425115203.db2.gz IWKZPUZTPANVKY-DLBZAZTESA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000651194535 425115206 /nfs/dbraw/zinc/11/52/06/425115206.db2.gz IWKZPUZTPANVKY-DLBZAZTESA-N 1 3 324.513 2.090 20 0 DEADHO Cc1ncccc1NC(=O)[C@H](C)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000651496471 425137279 /nfs/dbraw/zinc/13/72/79/425137279.db2.gz JBZCKTSEEVEGEM-JSGCOSHPSA-N 1 3 304.438 2.037 20 0 DEADHO CC(C)(C)N1CC[C@H]1CNC(=O)NCCC[NH+]1CCCCC1 ZINC000663500060 425172551 /nfs/dbraw/zinc/17/25/51/425172551.db2.gz MZZMOWXWNBYHSS-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO CCN(C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1)[C@@H]1CCN(CC)C1 ZINC000666751951 425173532 /nfs/dbraw/zinc/17/35/32/425173532.db2.gz APMSOCCBRHDFPC-DLBZAZTESA-N 1 3 324.513 2.233 20 0 DEADHO C[N@@H+]1CC[C@@]2(CCN(C[C@H]3CCCN(C(=O)C(C)(C)C)C3)C2)C1 ZINC000660616597 425177465 /nfs/dbraw/zinc/17/74/65/425177465.db2.gz NYWLBMKPOXWFRY-VQIMIIECSA-N 1 3 321.509 2.299 20 0 DEADHO C[N@H+]1CC[C@@]2(CCN(C[C@H]3CCCN(C(=O)C(C)(C)C)C3)C2)C1 ZINC000660616597 425177470 /nfs/dbraw/zinc/17/74/70/425177470.db2.gz NYWLBMKPOXWFRY-VQIMIIECSA-N 1 3 321.509 2.299 20 0 DEADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2(N)CCCC2)cc1 ZINC000656789484 425191061 /nfs/dbraw/zinc/19/10/61/425191061.db2.gz OPJZJQDLXRWWAO-CYBMUJFWSA-N 1 3 305.422 2.273 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NCC[N@@H+]2CCCC[C@@H]2CC)C1 ZINC000660660429 425197325 /nfs/dbraw/zinc/19/73/25/425197325.db2.gz VHEUFABRQONKCY-CVEARBPZSA-N 1 3 310.486 2.034 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NCC[N@H+]2CCCC[C@@H]2CC)C1 ZINC000660660429 425197332 /nfs/dbraw/zinc/19/73/32/425197332.db2.gz VHEUFABRQONKCY-CVEARBPZSA-N 1 3 310.486 2.034 20 0 DEADHO C[N@@H+]1CC[C@]2(C1)CCCN(C[C@H](O)CCc1ccccc1)C2 ZINC000660665650 425199626 /nfs/dbraw/zinc/19/96/26/425199626.db2.gz WYUJFSWZUNTZFC-MOPGFXCFSA-N 1 3 302.462 2.398 20 0 DEADHO C[N@H+]1CC[C@]2(C1)CCCN(C[C@H](O)CCc1ccccc1)C2 ZINC000660665650 425199629 /nfs/dbraw/zinc/19/96/29/425199629.db2.gz WYUJFSWZUNTZFC-MOPGFXCFSA-N 1 3 302.462 2.398 20 0 DEADHO CCN(C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCN(C)C1 ZINC000663655093 425205990 /nfs/dbraw/zinc/20/59/90/425205990.db2.gz LITWXKLMUSIJOG-IAGOWNOFSA-N 1 3 324.513 2.234 20 0 DEADHO CCN(C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCN(C)C1 ZINC000663655093 425205994 /nfs/dbraw/zinc/20/59/94/425205994.db2.gz LITWXKLMUSIJOG-IAGOWNOFSA-N 1 3 324.513 2.234 20 0 DEADHO CN1CCC(N2CC[C@@H]([NH2+]Cc3cccc4c3CCC4)C2)CC1 ZINC000651709291 425144314 /nfs/dbraw/zinc/14/43/14/425144314.db2.gz QVSKPJMERDBOOF-GOSISDBHSA-N 1 3 313.489 2.433 20 0 DEADHO COc1ccc([C@@H]([NH2+]C[C@@H](O)CN(C)C(C)C)C2CC2)cc1 ZINC000656694512 425163077 /nfs/dbraw/zinc/16/30/77/425163077.db2.gz QRXGPPNDQYHHLM-AEFFLSMTSA-N 1 3 306.450 2.437 20 0 DEADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000660824672 425245377 /nfs/dbraw/zinc/24/53/77/425245377.db2.gz PJCPCEPWPRIMCG-DLBZAZTESA-N 1 3 324.513 2.280 20 0 DEADHO [NH3+]C[C@]12CCC[C@H]1CN(CCOCCOc1ccccc1)C2 ZINC000652351762 425245481 /nfs/dbraw/zinc/24/54/81/425245481.db2.gz UWHPOYXVHPAGNS-WMZOPIPTSA-N 1 3 304.434 2.143 20 0 DEADHO NC[C@]12CCC[C@H]1C[N@H+](CCOCCOc1ccccc1)C2 ZINC000652351762 425245485 /nfs/dbraw/zinc/24/54/85/425245485.db2.gz UWHPOYXVHPAGNS-WMZOPIPTSA-N 1 3 304.434 2.143 20 0 DEADHO NC[C@]12CCC[C@H]1C[N@@H+](CCOCCOc1ccccc1)C2 ZINC000652351762 425245488 /nfs/dbraw/zinc/24/54/88/425245488.db2.gz UWHPOYXVHPAGNS-WMZOPIPTSA-N 1 3 304.434 2.143 20 0 DEADHO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000660833060 425249336 /nfs/dbraw/zinc/24/93/36/425249336.db2.gz CYVSTPBYTPMAPP-CVEARBPZSA-N 1 3 312.502 2.136 20 0 DEADHO CN1CCC[C@H](CNC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000660846789 425254364 /nfs/dbraw/zinc/25/43/64/425254364.db2.gz IRMBWPOAPIITTM-CVEARBPZSA-N 1 3 322.497 2.034 20 0 DEADHO CN1CCC[C@H](CNC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000660846789 425254368 /nfs/dbraw/zinc/25/43/68/425254368.db2.gz IRMBWPOAPIITTM-CVEARBPZSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@H](CNC(=O)NC[C@H]1CCN1C(C)(C)C)[NH+]1CCC(C)CC1 ZINC000660846795 425254498 /nfs/dbraw/zinc/25/44/98/425254498.db2.gz IRPYAIYMZOYQSL-HZPDHXFCSA-N 1 3 324.513 2.279 20 0 DEADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000653952233 425259449 /nfs/dbraw/zinc/25/94/49/425259449.db2.gz HKQCRRGKQXOSNI-IXDOHACOSA-N 1 3 322.497 2.034 20 0 DEADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000653952233 425259453 /nfs/dbraw/zinc/25/94/53/425259453.db2.gz HKQCRRGKQXOSNI-IXDOHACOSA-N 1 3 322.497 2.034 20 0 DEADHO C[N@@H+]1CC[C@H](NC[C@]2(CO)CCc3ccccc32)[C@H]2CCC[C@H]21 ZINC000652227563 425217953 /nfs/dbraw/zinc/21/79/53/425217953.db2.gz JXDJVKXTKNZHGN-MDNKFWRPSA-N 1 3 314.473 2.325 20 0 DEADHO C[N@H+]1CC[C@H](NC[C@]2(CO)CCc3ccccc32)[C@H]2CCC[C@H]21 ZINC000652227563 425217955 /nfs/dbraw/zinc/21/79/55/425217955.db2.gz JXDJVKXTKNZHGN-MDNKFWRPSA-N 1 3 314.473 2.325 20 0 DEADHO CC[N@H+](CCCNC(=O)N1CCN[C@@H](C)[C@H]1C)C1CCCCC1 ZINC000652227805 425218596 /nfs/dbraw/zinc/21/85/96/425218596.db2.gz OJRJMVNYIJGHHS-JKSUJKDBSA-N 1 3 324.513 2.423 20 0 DEADHO CC[N@@H+](CCCNC(=O)N1CCN[C@@H](C)[C@H]1C)C1CCCCC1 ZINC000652227805 425218602 /nfs/dbraw/zinc/21/86/02/425218602.db2.gz OJRJMVNYIJGHHS-JKSUJKDBSA-N 1 3 324.513 2.423 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cnn3c2CCC3)[C@@H](C)C1 ZINC000657364091 425317517 /nfs/dbraw/zinc/31/75/17/425317517.db2.gz SLMYJULLADXCRC-DOTOQJQBSA-N 1 3 320.481 2.056 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000664178978 425324020 /nfs/dbraw/zinc/32/40/20/425324020.db2.gz NQZANOXLTSPMGY-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000664178978 425324023 /nfs/dbraw/zinc/32/40/23/425324023.db2.gz NQZANOXLTSPMGY-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000654351391 425330441 /nfs/dbraw/zinc/33/04/41/425330441.db2.gz ZXKVLLSQVCFKKN-DLBZAZTESA-N 1 3 322.497 2.175 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(CC)[C@H]1CCN(C)C1 ZINC000664043461 425295031 /nfs/dbraw/zinc/29/50/31/425295031.db2.gz KFVIVCDDEVAZNW-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(CC)[C@H]1CCN(C)C1 ZINC000664043461 425295034 /nfs/dbraw/zinc/29/50/34/425295034.db2.gz KFVIVCDDEVAZNW-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000652610389 425302862 /nfs/dbraw/zinc/30/28/62/425302862.db2.gz WUBKXSBWXBFUBE-UHFFFAOYSA-N 1 3 318.465 2.432 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000652610389 425302867 /nfs/dbraw/zinc/30/28/67/425302867.db2.gz WUBKXSBWXBFUBE-UHFFFAOYSA-N 1 3 318.465 2.432 20 0 DEADHO Cc1cccc2[nH]c(C[NH2+]C[C@H](O)CN3CCCCC3)cc21 ZINC000657327246 425305985 /nfs/dbraw/zinc/30/59/85/425305985.db2.gz VHPYXMKGSOHJLL-INIZCTEOSA-N 1 3 301.434 2.413 20 0 DEADHO CN(C)CCC[N@H+](C)CCNc1ccc(C(F)(F)F)cn1 ZINC000664247239 425344421 /nfs/dbraw/zinc/34/44/21/425344421.db2.gz HJVJSQFXDFAEQA-UHFFFAOYSA-N 1 3 304.360 2.396 20 0 DEADHO CN(C)CCC[N@@H+](C)CCNc1ccc(C(F)(F)F)cn1 ZINC000664247239 425344425 /nfs/dbraw/zinc/34/44/25/425344425.db2.gz HJVJSQFXDFAEQA-UHFFFAOYSA-N 1 3 304.360 2.396 20 0 DEADHO CN(C)CCC[N@H+](C)CCNc1ncnc2ccc(F)cc21 ZINC000664247401 425344721 /nfs/dbraw/zinc/34/47/21/425344721.db2.gz LWMWGKBZZZRNAC-UHFFFAOYSA-N 1 3 305.401 2.064 20 0 DEADHO CN(C)CCC[N@@H+](C)CCNc1ncnc2ccc(F)cc21 ZINC000664247401 425344724 /nfs/dbraw/zinc/34/47/24/425344724.db2.gz LWMWGKBZZZRNAC-UHFFFAOYSA-N 1 3 305.401 2.064 20 0 DEADHO CN(C)c1ncc(CNCC2CC[NH+](CC3CC3)CC2)s1 ZINC000657811498 425405171 /nfs/dbraw/zinc/40/51/71/425405171.db2.gz DYTSIBPDMUEWJX-UHFFFAOYSA-N 1 3 308.495 2.421 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+]CC2)CN1Cc1ccccc1 ZINC000653122000 425411266 /nfs/dbraw/zinc/41/12/66/425411266.db2.gz IEYOKBKCYBZBER-NXHRZFHOSA-N 1 3 315.461 2.155 20 0 DEADHO Oc1cccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000657593960 425372011 /nfs/dbraw/zinc/37/20/11/425372011.db2.gz DOCXHRKHKCGWTC-LJQANCHMSA-N 1 3 312.413 2.249 20 0 DEADHO Oc1cccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000657593960 425372012 /nfs/dbraw/zinc/37/20/12/425372012.db2.gz DOCXHRKHKCGWTC-LJQANCHMSA-N 1 3 312.413 2.249 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654566690 425385075 /nfs/dbraw/zinc/38/50/75/425385075.db2.gz LPZOQPIUAAGRHZ-JYJNAYRXSA-N 1 3 310.486 2.031 20 0 DEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654566690 425385077 /nfs/dbraw/zinc/38/50/77/425385077.db2.gz LPZOQPIUAAGRHZ-JYJNAYRXSA-N 1 3 310.486 2.031 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000653151590 425419906 /nfs/dbraw/zinc/41/99/06/425419906.db2.gz LKKJUEBKRVOWOG-AWEZNQCLSA-N 1 3 309.479 2.028 20 0 DEADHO COC1([C@@H](C)NCc2ccncc2OCCC[NH+](C)C)CCC1 ZINC000658014528 425427354 /nfs/dbraw/zinc/42/73/54/425427354.db2.gz WVVUTLZSSZPUSO-OAHLLOKOSA-N 1 3 321.465 2.459 20 0 DEADHO CCN(C(=O)NC[C@@H]1CCCCN1C1CC1)[C@H]1CC[N@H+](CC)C1 ZINC000664760662 425450042 /nfs/dbraw/zinc/45/00/42/425450042.db2.gz ZASZDXLTPZSTQZ-IRXDYDNUSA-N 1 3 322.497 2.129 20 0 DEADHO CCN(C(=O)NC[C@@H]1CCCCN1C1CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000664760662 425450044 /nfs/dbraw/zinc/45/00/44/425450044.db2.gz ZASZDXLTPZSTQZ-IRXDYDNUSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)[C@@H](c1ccccc1)N1CCOCC1 ZINC000665280704 425535788 /nfs/dbraw/zinc/53/57/88/425535788.db2.gz JFIOMSMEAUUIRN-UHOSZYNNSA-N 1 3 319.493 2.411 20 0 DEADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000665364782 425554415 /nfs/dbraw/zinc/55/44/15/425554415.db2.gz WZDOPCBIMSMUPJ-JKSUJKDBSA-N 1 3 324.513 2.375 20 0 DEADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000665364782 425554418 /nfs/dbraw/zinc/55/44/18/425554418.db2.gz WZDOPCBIMSMUPJ-JKSUJKDBSA-N 1 3 324.513 2.375 20 0 DEADHO CC[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665639076 425610523 /nfs/dbraw/zinc/61/05/23/425610523.db2.gz LEELHWJXYZMPAL-JKSUJKDBSA-N 1 3 312.502 2.090 20 0 DEADHO CC[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665639076 425610525 /nfs/dbraw/zinc/61/05/25/425610525.db2.gz LEELHWJXYZMPAL-JKSUJKDBSA-N 1 3 312.502 2.090 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2)N(C)Cc1ccccc1 ZINC000655447887 425569178 /nfs/dbraw/zinc/56/91/78/425569178.db2.gz IONPQHWBSQLZHT-AYBZRNKSSA-N 1 3 315.461 2.013 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000655494693 425581466 /nfs/dbraw/zinc/58/14/66/425581466.db2.gz MYQGPTPYUYARPP-MQVJKMGUSA-N 1 3 307.482 2.240 20 0 DEADHO COCCN(C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H](C)c1ccccc1 ZINC000662251557 425600995 /nfs/dbraw/zinc/60/09/95/425600995.db2.gz GXXHWOYVXGYZCL-DOTOQJQBSA-N 1 3 304.434 2.217 20 0 DEADHO c1ccc([C@@H]2CN(C[C@@H]3CCC4(C[NH2+]C4)O3)CCS2)cc1 ZINC000662254809 425601894 /nfs/dbraw/zinc/60/18/94/425601894.db2.gz MIBDOSDXFNJNEH-HOTGVXAUSA-N 1 3 304.459 2.298 20 0 DEADHO CN(CCOc1ccc(Cl)cc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249893 425602315 /nfs/dbraw/zinc/60/23/15/425602315.db2.gz UOFNKYNDNNIYLT-HNNXBMFYSA-N 1 3 310.825 2.172 20 0 DEADHO CCCCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCC3(CNC3)O2)C1(C)C ZINC000662258119 425604101 /nfs/dbraw/zinc/60/41/01/425604101.db2.gz IKCVOZVTHKWTHT-ARFHVFGLSA-N 1 3 310.482 2.423 20 0 DEADHO CCCCO[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCC3(CNC3)O2)C1(C)C ZINC000662258119 425604105 /nfs/dbraw/zinc/60/41/05/425604105.db2.gz IKCVOZVTHKWTHT-ARFHVFGLSA-N 1 3 310.482 2.423 20 0 DEADHO C[C@@H](CNC(=O)NCC1([NH3+])CCCC1)N(C)Cc1ccccc1 ZINC000659452823 425606106 /nfs/dbraw/zinc/60/61/06/425606106.db2.gz FGVBFAKBHUQHLK-HNNXBMFYSA-N 1 3 318.465 2.078 20 0 DEADHO C[NH+](C)CCc1ccc(NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000655750673 425644909 /nfs/dbraw/zinc/64/49/09/425644909.db2.gz UWVKPIXYJAPXJT-IBGZPJMESA-N 1 3 317.477 2.456 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662419720 425645520 /nfs/dbraw/zinc/64/55/20/425645520.db2.gz MPRCVPGWNODNDF-YOEHRIQHSA-N 1 3 301.434 2.068 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662419720 425645523 /nfs/dbraw/zinc/64/55/23/425645523.db2.gz MPRCVPGWNODNDF-YOEHRIQHSA-N 1 3 301.434 2.068 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000662472371 425659389 /nfs/dbraw/zinc/65/93/89/425659389.db2.gz ZDVXOTCIWSENJK-QAPCUYQASA-N 1 3 313.445 2.165 20 0 DEADHO C[C@H](NC(=O)C[C@H]1NCc2ccccc21)C(C)(C)C[NH+](C)C ZINC000662474016 425659450 /nfs/dbraw/zinc/65/94/50/425659450.db2.gz PSXCVIRLLBXZLY-XJKSGUPXSA-N 1 3 303.450 2.314 20 0 DEADHO C[NH+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1NCc2ccccc21 ZINC000662484577 425662351 /nfs/dbraw/zinc/66/23/51/425662351.db2.gz KSXBQQWJGMGGNX-WBVHZDCISA-N 1 3 301.434 2.164 20 0 DEADHO CN(C)C1CC[NH+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000659836912 425663323 /nfs/dbraw/zinc/66/33/23/425663323.db2.gz CIAOYNYGTPAZIT-HNNXBMFYSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C)N[C@@H](CNC(=O)NCC[C@@H]([NH3+])C(C)C)c1ccco1 ZINC000659493288 425614900 /nfs/dbraw/zinc/61/49/00/425614900.db2.gz XALIMRFZMMMCHN-KFWWJZLASA-N 1 3 324.469 2.381 20 0 DEADHO C[C@H]1[C@H](NC(=O)N(C)CC(C)(C)[NH3+])CCN1Cc1ccccc1 ZINC000659492561 425615238 /nfs/dbraw/zinc/61/52/38/425615238.db2.gz GFYJEABIEGFBQP-GOEBONIOSA-N 1 3 318.465 2.028 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)NCC[C@@H]([NH3+])C(C)C)c1ccco1 ZINC000659493291 425615481 /nfs/dbraw/zinc/61/54/81/425615481.db2.gz XALIMRFZMMMCHN-ZNMIVQPWSA-N 1 3 324.469 2.381 20 0 DEADHO CCCN(CCC)C(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295700 425616197 /nfs/dbraw/zinc/61/61/97/425616197.db2.gz HWQPQNDMWPIASF-KRWDZBQOSA-N 1 3 309.498 2.347 20 0 DEADHO C[C@H](CNC(=O)c1cc2c(s1)CCNC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000662386728 425638080 /nfs/dbraw/zinc/63/80/80/425638080.db2.gz FWRKSXJKSIZOHG-CHWSQXEVSA-N 1 3 321.490 2.244 20 0 DEADHO C[C@H](CNC(=O)c1cc2c(s1)CCNC2)[N@H+]1CCC[C@@H](C)C1 ZINC000662386728 425638083 /nfs/dbraw/zinc/63/80/83/425638083.db2.gz FWRKSXJKSIZOHG-CHWSQXEVSA-N 1 3 321.490 2.244 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCCCC[C@@H]1C ZINC000665757293 425641485 /nfs/dbraw/zinc/64/14/85/425641485.db2.gz DWMHDAHPBVOSMJ-HOTGVXAUSA-N 1 3 312.502 2.233 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCCCC[C@@H]1C ZINC000665757293 425641488 /nfs/dbraw/zinc/64/14/88/425641488.db2.gz DWMHDAHPBVOSMJ-HOTGVXAUSA-N 1 3 312.502 2.233 20 0 DEADHO Cc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(C)n1 ZINC000666314325 425734216 /nfs/dbraw/zinc/73/42/16/425734216.db2.gz GPKZVWPENSCKMN-AWEZNQCLSA-N 1 3 321.469 2.092 20 0 DEADHO Cc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(C)n1 ZINC000666314325 425734220 /nfs/dbraw/zinc/73/42/20/425734220.db2.gz GPKZVWPENSCKMN-AWEZNQCLSA-N 1 3 321.469 2.092 20 0 DEADHO CC(C)N1CCN(c2cccc(NC(=O)CC3([NH3+])CC3)c2)CC1 ZINC000662801935 425740009 /nfs/dbraw/zinc/74/00/09/425740009.db2.gz MNGWBTHSXUDXFW-UHFFFAOYSA-N 1 3 316.449 2.037 20 0 DEADHO C[NH2+]Cc1ccccc1CNC(=O)C[C@@H]1NCc2ccccc21 ZINC000662584563 425686065 /nfs/dbraw/zinc/68/60/65/425686065.db2.gz PUSCUCYCZMRXSC-SFHVURJKSA-N 1 3 309.413 2.257 20 0 DEADHO C[C@H](CC(=O)N[C@@H](C)CN1CCC(C)CC1)C1CC[NH2+]CC1 ZINC000662694467 425714689 /nfs/dbraw/zinc/71/46/89/425714689.db2.gz QVYUVGYMDQNKMK-CVEARBPZSA-N 1 3 309.498 2.249 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C1(N)CC2(CCC2)C1 ZINC000662701069 425716793 /nfs/dbraw/zinc/71/67/93/425716793.db2.gz MQJWUABEOAOLJQ-HNNXBMFYSA-N 1 3 307.482 2.419 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)C1(N)CC2(CCC2)C1 ZINC000662701069 425716796 /nfs/dbraw/zinc/71/67/96/425716796.db2.gz MQJWUABEOAOLJQ-HNNXBMFYSA-N 1 3 307.482 2.419 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C1(NC2CC2)CCC1 ZINC000662702117 425717552 /nfs/dbraw/zinc/71/75/52/425717552.db2.gz WURZPPVJVUFESZ-INIZCTEOSA-N 1 3 307.482 2.432 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)C1(NC2CC2)CCC1 ZINC000662702117 425717554 /nfs/dbraw/zinc/71/75/54/425717554.db2.gz WURZPPVJVUFESZ-INIZCTEOSA-N 1 3 307.482 2.432 20 0 DEADHO CC[C@@H](NC)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000662741065 425726101 /nfs/dbraw/zinc/72/61/01/425726101.db2.gz JYPSKUWDBGCINY-OAHLLOKOSA-N 1 3 302.422 2.139 20 0 DEADHO N[C@H]1CCC[C@H]([NH2+]CCCN2CCN(c3ccccc3)CC2)C1 ZINC000656197143 425728599 /nfs/dbraw/zinc/72/85/99/425728599.db2.gz IOCSZHYDKBVJLS-ROUUACIJSA-N 1 3 316.493 2.058 20 0 DEADHO CO[C@H](C[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1)[C@@H]1CCOC1 ZINC000660256970 425777334 /nfs/dbraw/zinc/77/73/34/425777334.db2.gz OZSCCSOSZOINOZ-KYHPRHEASA-N 1 3 310.482 2.281 20 0 DEADHO CO[C@H](CN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[C@@H]1CCOC1 ZINC000660256970 425777336 /nfs/dbraw/zinc/77/73/36/425777336.db2.gz OZSCCSOSZOINOZ-KYHPRHEASA-N 1 3 310.482 2.281 20 0 DEADHO CO[C@H](CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CCOC1 ZINC000660256970 425777338 /nfs/dbraw/zinc/77/73/38/425777338.db2.gz OZSCCSOSZOINOZ-KYHPRHEASA-N 1 3 310.482 2.281 20 0 DEADHO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1cccc2c1CNC2 ZINC000662865961 425752279 /nfs/dbraw/zinc/75/22/79/425752279.db2.gz URSCJUNJAFFBTF-VQIMIIECSA-N 1 3 321.424 2.165 20 0 DEADHO O=C(N[C@@H]1CCN(C2CCCCC2)C1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000662874981 425753392 /nfs/dbraw/zinc/75/33/92/425753392.db2.gz MFRPKVKEOSAIIO-LMSBXDPUSA-N 1 3 319.493 2.430 20 0 DEADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cccc2c1CCNC2 ZINC000662886628 425756479 /nfs/dbraw/zinc/75/64/79/425756479.db2.gz IPWXRGLRQAEJCU-OAHLLOKOSA-N 1 3 315.461 2.183 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000660450126 425816255 /nfs/dbraw/zinc/81/62/55/425816255.db2.gz CPQOKORCCYIBJV-JKSUJKDBSA-N 1 3 324.513 2.280 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000660450126 425816257 /nfs/dbraw/zinc/81/62/57/425816257.db2.gz CPQOKORCCYIBJV-JKSUJKDBSA-N 1 3 324.513 2.280 20 0 DEADHO COc1cc2nccc(N3CCC[C@H]4C[NH2+]C[C@H]43)c2cc1OC ZINC000663240323 425820331 /nfs/dbraw/zinc/82/03/31/425820331.db2.gz AYMXZTHAIPNQLD-BLLLJJGKSA-N 1 3 313.401 2.440 20 0 DEADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]CCc1c[nH]nn1 ZINC000660488705 425821399 /nfs/dbraw/zinc/82/13/99/425821399.db2.gz SNMJATMBXFGBQV-QGZVFWFLSA-N 1 3 313.449 2.238 20 0 DEADHO C[C@H](CNC(=O)[C@H]1[NH2+]CCCC1(C)C)N(C)Cc1ccccc1 ZINC000390725904 269097803 /nfs/dbraw/zinc/09/78/03/269097803.db2.gz RCGFQAFHKJREFD-NVXWUHKLSA-N 1 3 317.477 2.401 20 0 DEADHO CN1CC=C(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000392191739 269099424 /nfs/dbraw/zinc/09/94/24/269099424.db2.gz NAYKUVBEULIFMI-OAHLLOKOSA-N 1 3 309.454 2.237 20 0 DEADHO C[C@@H](c1ccc(OC(F)F)cc1)N1CCC(O)(C[NH3+])CC1 ZINC000397002164 269104711 /nfs/dbraw/zinc/10/47/11/269104711.db2.gz IPBPQFHAXVNYKR-NSHDSACASA-N 1 3 300.349 2.135 20 0 DEADHO C[C@H]1COCC[C@@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397507399 269106710 /nfs/dbraw/zinc/10/67/10/269106710.db2.gz JXDGTDZNXZMAPG-WMZOPIPTSA-N 1 3 318.461 2.028 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000398135711 269108430 /nfs/dbraw/zinc/10/84/30/269108430.db2.gz KYRYFLFIORZZJJ-HHXXYDBFSA-N 1 3 315.461 2.013 20 0 DEADHO [NH3+][C@@H](C(=O)NC[C@H](c1ccccc1)N1CCCC1)C1CCC1 ZINC000398952738 269110178 /nfs/dbraw/zinc/11/01/78/269110178.db2.gz CWOJUAUEWWTISU-IAGOWNOFSA-N 1 3 301.434 2.067 20 0 DEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CCN(C3CC3)CC2)C[C@@H]1C ZINC000426787970 269120447 /nfs/dbraw/zinc/12/04/47/269120447.db2.gz JEYREBBKWOJIPR-WMLDXEAASA-N 1 3 307.482 2.192 20 0 DEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C2CCN(C3CC3)CC2)C[C@@H]1C ZINC000426787970 269120449 /nfs/dbraw/zinc/12/04/49/269120449.db2.gz JEYREBBKWOJIPR-WMLDXEAASA-N 1 3 307.482 2.192 20 0 DEADHO C[C@H](CNC(=O)NC[C@@H]1CCCCN1C1CC1)C[NH+]1CCCC1 ZINC000433928175 269135410 /nfs/dbraw/zinc/13/54/10/269135410.db2.gz XLXCRGYVEPAZAG-WBVHZDCISA-N 1 3 322.497 2.034 20 0 DEADHO C[C@H](CNC(=O)OC(C)(C)C)N[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000495689453 269168553 /nfs/dbraw/zinc/16/85/53/269168553.db2.gz TYAZGLOJJKQHIS-KBUPBQIOSA-N 1 3 311.470 2.362 20 0 DEADHO C[C@H](CNC(=O)OC(C)(C)C)N[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000495689453 269168555 /nfs/dbraw/zinc/16/85/55/269168555.db2.gz TYAZGLOJJKQHIS-KBUPBQIOSA-N 1 3 311.470 2.362 20 0 DEADHO CC(C)COC(=O)N1CCC([NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000495931537 269186206 /nfs/dbraw/zinc/18/62/06/269186206.db2.gz GJPWTAVDZNULSC-GDBMZVCRSA-N 1 3 311.470 2.351 20 0 DEADHO CCN1CC[C@H](C[NH2+]C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000497048186 269281078 /nfs/dbraw/zinc/28/10/78/269281078.db2.gz UKRORZQIZHCSKX-CQSZACIVSA-N 1 3 323.481 2.317 20 0 DEADHO CCOC(=O)N1CCC(N[C@@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000497136468 269290589 /nfs/dbraw/zinc/29/05/89/269290589.db2.gz USTXMBRDANEJMF-YOEHRIQHSA-N 1 3 319.449 2.155 20 0 DEADHO C[C@H](CC(N)=O)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512630584 269321770 /nfs/dbraw/zinc/32/17/70/269321770.db2.gz NPDJARWXPUKMTG-BZZMCLGOSA-N 1 3 315.461 2.141 20 0 DEADHO C[C@H](CC(N)=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512630584 269321771 /nfs/dbraw/zinc/32/17/71/269321771.db2.gz NPDJARWXPUKMTG-BZZMCLGOSA-N 1 3 315.461 2.141 20 0 DEADHO C[C@H](CC(N)=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512630584 269321773 /nfs/dbraw/zinc/32/17/73/269321773.db2.gz NPDJARWXPUKMTG-BZZMCLGOSA-N 1 3 315.461 2.141 20 0 DEADHO CN(CCN1CCCC1)C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000514736097 269329738 /nfs/dbraw/zinc/32/97/38/269329738.db2.gz DJJKJIKSHNLDAQ-SFHVURJKSA-N 1 3 315.461 2.063 20 0 DEADHO CN(CCN1CCCC1)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000514736097 269329740 /nfs/dbraw/zinc/32/97/40/269329740.db2.gz DJJKJIKSHNLDAQ-SFHVURJKSA-N 1 3 315.461 2.063 20 0 DEADHO CSc1ccc(OC[C@H](O)CN[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000516049956 269356712 /nfs/dbraw/zinc/35/67/12/269356712.db2.gz FQICWTISYLKYSA-QLFBSQMISA-N 1 3 324.490 2.221 20 0 DEADHO CSc1ccc(OC[C@H](O)CN[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000516049956 269356713 /nfs/dbraw/zinc/35/67/13/269356713.db2.gz FQICWTISYLKYSA-QLFBSQMISA-N 1 3 324.490 2.221 20 0 DEADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2F)C1 ZINC000516761528 269368759 /nfs/dbraw/zinc/36/87/59/269368759.db2.gz IALXOJJINMYHEH-HOTGVXAUSA-N 1 3 324.440 2.275 20 0 DEADHO Cc1nc(COc2ccc(CN[C@@H](C)C[C@H](C)[NH3+])cc2)no1 ZINC000520406984 269438061 /nfs/dbraw/zinc/43/80/61/269438061.db2.gz YKDAGBSOQZWLMB-RYUDHWBXSA-N 1 3 304.394 2.172 20 0 DEADHO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000271885212 274161361 /nfs/dbraw/zinc/16/13/61/274161361.db2.gz QPNIQPWTEWVELO-CQSZACIVSA-N 1 3 317.433 2.264 20 0 DEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H]1NCCc2ccccc21 ZINC000423414177 274506228 /nfs/dbraw/zinc/50/62/28/274506228.db2.gz BTXGWIQZXMKDJD-YSSFQJQWSA-N 1 3 309.457 2.422 20 0 DEADHO CC(C)N1CCN(C2CC[NH+](C[C@@H]3CC[C@@H](C)O3)CC2)CC1 ZINC000373694142 275949588 /nfs/dbraw/zinc/94/95/88/275949588.db2.gz DYSJCFVEIXMBDE-AEFFLSMTSA-N 1 3 309.498 2.044 20 0 DEADHO CC1(C)CCC[NH2+][C@@H]1CNC1CCN(CC(F)(F)F)CC1 ZINC000414921438 276106712 /nfs/dbraw/zinc/10/67/12/276106712.db2.gz BIENNKQCZJWTLP-CYBMUJFWSA-N 1 3 307.404 2.381 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+](C)CC2(O)CCC2)CC1 ZINC000355367054 276203415 /nfs/dbraw/zinc/20/34/15/276203415.db2.gz IDKGIZQUCOGERO-UHFFFAOYSA-N 1 3 317.477 2.175 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+](C)CC2(O)CCC2)CC1 ZINC000355367054 276203416 /nfs/dbraw/zinc/20/34/16/276203416.db2.gz IDKGIZQUCOGERO-UHFFFAOYSA-N 1 3 317.477 2.175 20 0 DEADHO CCS(=O)(=O)c1c(Cl)cccc1CN[C@@H](C)CCC[NH3+] ZINC000415017129 276393052 /nfs/dbraw/zinc/39/30/52/276393052.db2.gz DXRUNOLORWWWNV-NSHDSACASA-N 1 3 318.870 2.351 20 0 DEADHO CN(C)C/C=C/C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000369575026 276750630 /nfs/dbraw/zinc/75/06/30/276750630.db2.gz XJNQAZBCUVXSQH-SYJIQKIWSA-N 1 3 307.482 2.219 20 0 DEADHO CN1CCC[C@H]1CC[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000360781230 277078054 /nfs/dbraw/zinc/07/80/54/277078054.db2.gz KNKWJVHQJAKYJS-INIZCTEOSA-N 1 3 317.481 2.278 20 0 DEADHO CC(C)(C)CCCN1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420411163 277139405 /nfs/dbraw/zinc/13/94/05/277139405.db2.gz XHSHVJLKOOFXMZ-HZPDHXFCSA-N 1 3 322.497 2.033 20 0 DEADHO COC[C@]1(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)OCCc2ccccc21 ZINC000353562404 277269610 /nfs/dbraw/zinc/26/96/10/277269610.db2.gz CFBNARPSTKMHII-IPELMVKDSA-N 1 3 318.461 2.031 20 0 DEADHO COC[C@]1(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)OCCc2ccccc21 ZINC000353562404 277269611 /nfs/dbraw/zinc/26/96/11/277269611.db2.gz CFBNARPSTKMHII-IPELMVKDSA-N 1 3 318.461 2.031 20 0 DEADHO CC(=O)NCCc1ccc([C@H](C)[NH2+][C@@H]2CCCN[C@@H]2C)cc1 ZINC000423385520 278118478 /nfs/dbraw/zinc/11/84/78/278118478.db2.gz QWTKIGAIIMIAHV-PMUMKWKESA-N 1 3 303.450 2.156 20 0 DEADHO C[C@H](C(=O)N1CCC(C)CC1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420332595 278136363 /nfs/dbraw/zinc/13/63/63/278136363.db2.gz DHQKYIJKDQJNBD-WBVHZDCISA-N 1 3 307.482 2.097 20 0 DEADHO CC(CN1CCCC[C@H]1CCO)C[N@@H+]1CCCC[C@H]1CCO ZINC000251074160 278156175 /nfs/dbraw/zinc/15/61/75/278156175.db2.gz FZUJKZQSTTYCEH-ROUUACIJSA-N 1 3 312.498 2.096 20 0 DEADHO CC(CN1CCCC[C@H]1CCO)C[N@H+]1CCCC[C@H]1CCO ZINC000251074160 278156178 /nfs/dbraw/zinc/15/61/78/278156178.db2.gz FZUJKZQSTTYCEH-ROUUACIJSA-N 1 3 312.498 2.096 20 0 DEADHO CC1(C)CCCN[C@@H]1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000423333795 278220659 /nfs/dbraw/zinc/22/06/59/278220659.db2.gz OOMCQUUYRLKFHF-MRXNPFEDSA-N 1 3 307.482 2.288 20 0 DEADHO C[C@@H](N)[C@H]1CCCC[N@@H+]1CCC(=O)N1CCc2sccc2C1 ZINC000430649141 278317309 /nfs/dbraw/zinc/31/73/09/278317309.db2.gz IFIHYBWWDHRODV-UKRRQHHQSA-N 1 3 321.490 2.225 20 0 DEADHO C[C@@H](N)[C@H]1CCCC[N@H+]1CCC(=O)N1CCc2sccc2C1 ZINC000430649141 278317310 /nfs/dbraw/zinc/31/73/10/278317310.db2.gz IFIHYBWWDHRODV-UKRRQHHQSA-N 1 3 321.490 2.225 20 0 DEADHO CC1(C)C[C@@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)C(C)(C)O1 ZINC000133112979 278368999 /nfs/dbraw/zinc/36/89/99/278368999.db2.gz AGCBRBZDAGFWKO-GDBMZVCRSA-N 1 3 310.482 2.423 20 0 DEADHO CC(C)CN(C(=O)C[C@@H]1CCCC[C@H]1[NH3+])C1CCN(C)CC1 ZINC000423760097 278815092 /nfs/dbraw/zinc/81/50/92/278815092.db2.gz NBUIJYFEZYGTCC-DOTOQJQBSA-N 1 3 309.498 2.473 20 0 DEADHO CCN1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000363598862 279289049 /nfs/dbraw/zinc/28/90/49/279289049.db2.gz DYMSGIFFGHMMPX-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO CCN1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000363598862 279289050 /nfs/dbraw/zinc/28/90/50/279289050.db2.gz DYMSGIFFGHMMPX-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCC1(C)CC1 ZINC000350059046 279302305 /nfs/dbraw/zinc/30/23/05/279302305.db2.gz IFCOEYHIZVPQDE-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCC1(C)CC1 ZINC000350059046 279302306 /nfs/dbraw/zinc/30/23/06/279302306.db2.gz IFCOEYHIZVPQDE-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000073428474 279310806 /nfs/dbraw/zinc/31/08/06/279310806.db2.gz SHUIEIFMYDFQEQ-CQSZACIVSA-N 1 3 310.486 2.079 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000491006033 279376934 /nfs/dbraw/zinc/37/69/34/279376934.db2.gz RVGLYOAETRJBQM-VVLHAWIVSA-N 1 3 324.513 2.087 20 0 DEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000491006033 279376935 /nfs/dbraw/zinc/37/69/35/279376935.db2.gz RVGLYOAETRJBQM-VVLHAWIVSA-N 1 3 324.513 2.087 20 0 DEADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000417317946 279874010 /nfs/dbraw/zinc/87/40/10/279874010.db2.gz XSGDWYHGSMIQHF-CVEARBPZSA-N 1 3 312.502 2.122 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)N(C)CC(C)(C)C[NH3+])c1ccco1 ZINC000418169894 280749073 /nfs/dbraw/zinc/74/90/73/280749073.db2.gz QUOVOLOWLVDFMZ-KBPBESRZSA-N 1 3 324.469 2.335 20 0 DEADHO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000262239101 280760428 /nfs/dbraw/zinc/76/04/28/280760428.db2.gz QDHCWMXNJJLVBZ-GZBFAFLISA-N 1 3 309.479 2.375 20 0 DEADHO Cc1cccc(N2CCC([NH2+][C@@H]3CCNCC[C@@H]3C)CC2)n1 ZINC000422754002 281225578 /nfs/dbraw/zinc/22/55/78/281225578.db2.gz FQIHZZNXCNOGBS-WMLDXEAASA-N 1 3 302.466 2.337 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000133932976 282029248 /nfs/dbraw/zinc/02/92/48/282029248.db2.gz POYPXEAEDDFFBK-NVXWUHKLSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000133932976 282029258 /nfs/dbraw/zinc/02/92/58/282029258.db2.gz POYPXEAEDDFFBK-NVXWUHKLSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000262850294 289016105 /nfs/dbraw/zinc/01/61/05/289016105.db2.gz ZKWBRUVXJOSHGQ-LZLYRXPVSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000262850294 289016107 /nfs/dbraw/zinc/01/61/07/289016107.db2.gz ZKWBRUVXJOSHGQ-LZLYRXPVSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@H](C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)N1CCCCCC1 ZINC000353439627 289262469 /nfs/dbraw/zinc/26/24/69/289262469.db2.gz XPBVVLXBEJVYML-NVXWUHKLSA-N 1 3 307.482 2.099 20 0 DEADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCC(CS(C)(=O)=O)CC2)C1 ZINC000340259455 289380471 /nfs/dbraw/zinc/38/04/71/289380471.db2.gz OEELZICDEPXNAU-CKUJCDMFSA-N 1 3 316.511 2.052 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000345098035 289565266 /nfs/dbraw/zinc/56/52/66/289565266.db2.gz DMALZLAACFCKEJ-ZACQAIPSSA-N 1 3 322.497 2.129 20 0 DEADHO [NH3+]CC1(CC(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000423345715 295222832 /nfs/dbraw/zinc/22/28/32/295222832.db2.gz YWUYNMFDFYUBLJ-MRXNPFEDSA-N 1 3 301.434 2.069 20 0 DEADHO CSC1(CN[C@H](c2nccn2C)C2CC2)CC[NH+](C)CC1 ZINC000353634285 295583342 /nfs/dbraw/zinc/58/33/42/295583342.db2.gz ZUKQBIZSNUBVST-AWEZNQCLSA-N 1 3 308.495 2.288 20 0 DEADHO C[C@H](C(=O)N1CCN(C2CC2)C[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000452174822 298049483 /nfs/dbraw/zinc/04/94/83/298049483.db2.gz RDOHCXBMHWGDDY-HZPDHXFCSA-N 1 3 307.482 2.194 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)CC2(C[NH3+])CC2)N2CCCC2)cc1 ZINC000423368312 301714749 /nfs/dbraw/zinc/71/47/49/301714749.db2.gz ZLOWJZIBEVMIHL-QGZVFWFLSA-N 1 3 315.461 2.377 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@]2(C)CC[NH2+]C2)N2CCCC2)cc1 ZINC000237881509 301716511 /nfs/dbraw/zinc/71/65/11/301716511.db2.gz GGCFPGOJNKZDOS-IEBWSBKVSA-N 1 3 315.461 2.248 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)C1CC([NH3+])C1)N(C)C ZINC000418162751 302202267 /nfs/dbraw/zinc/20/22/67/302202267.db2.gz CWWLYSREVPUOQV-GIOUXUJVSA-N 1 3 318.465 2.117 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC(C)(C)C[NH3+])N(C)C ZINC000418189415 302204676 /nfs/dbraw/zinc/20/46/76/302204676.db2.gz VLSZJTRXORLFEA-ZFWWWQNUSA-N 1 3 306.454 2.023 20 0 DEADHO [NH3+]C1(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CCCC1 ZINC000237924624 303355669 /nfs/dbraw/zinc/35/56/69/303355669.db2.gz BSPHBGZBPKQPQX-ZDUSSCGKSA-N 1 3 307.463 2.273 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2cccc(F)c2)C1 ZINC000414678697 303365888 /nfs/dbraw/zinc/36/58/88/303365888.db2.gz QVARJLWXOOKWDN-YOEHRIQHSA-N 1 3 319.424 2.160 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]2c2cccc(F)c2)C1 ZINC000414678697 303365889 /nfs/dbraw/zinc/36/58/89/303365889.db2.gz QVARJLWXOOKWDN-YOEHRIQHSA-N 1 3 319.424 2.160 20 0 DEADHO O=C(NCCC[NH+]1CCCCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000341449677 303766707 /nfs/dbraw/zinc/76/67/07/303766707.db2.gz IGJWQSPWPKPJFA-QGZVFWFLSA-N 1 3 322.497 2.132 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001368908967 1148763845 /nfs/dbraw/zinc/76/38/45/1148763845.db2.gz YCFUYNPYNLXWIB-CHWSQXEVSA-N 1 3 318.465 2.324 20 0 DEADHO NC(=O)c1cccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000567648390 325835265 /nfs/dbraw/zinc/83/52/65/325835265.db2.gz LCVGPTPUJPJSQJ-KZNAEPCWSA-N 1 3 315.461 2.228 20 0 DEADHO C[C@H](N[C@@H]1CCN(C(=O)C2CCCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000573902383 326102783 /nfs/dbraw/zinc/10/27/83/326102783.db2.gz KSQSDGKMZPVOMT-USXIJHARSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)[C@@H]1CCCNC1 ZINC000573902383 326102784 /nfs/dbraw/zinc/10/27/84/326102784.db2.gz KSQSDGKMZPVOMT-USXIJHARSA-N 1 3 307.482 2.145 20 0 DEADHO Cc1ncc(C[NH2+]CCc2ccc(OCCN(C)C)cc2)n1C ZINC000582132875 333155842 /nfs/dbraw/zinc/15/58/42/333155842.db2.gz AWKKWFOAPVKPIK-UHFFFAOYSA-N 1 3 316.449 2.001 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC=C(C)CC3)CC2)CC1 ZINC000583639849 336007236 /nfs/dbraw/zinc/00/72/36/336007236.db2.gz UDVHGNUFJLKBPS-UHFFFAOYSA-N 1 3 319.493 2.361 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N[C@H](C)C[C@@H](C)[NH3+])c1ccccc1 ZINC000582903450 337213573 /nfs/dbraw/zinc/21/35/73/337213573.db2.gz AVIMHKOECXJDSW-BFYDXBDKSA-N 1 3 320.481 2.495 20 0 DEADHO CC(C)[C@H](C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)[C@@H](C)[NH3+] ZINC000399356977 337315712 /nfs/dbraw/zinc/31/57/12/337315712.db2.gz GAISLXMBNQJJKK-NXHRZFHOSA-N 1 3 317.477 2.339 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](CNC[C@H](O)COCc2ccccc2)C1 ZINC000583747777 337328686 /nfs/dbraw/zinc/32/86/86/337328686.db2.gz DDFCKSMGDPKXCA-MOPGFXCFSA-N 1 3 320.477 2.132 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](CNC[C@H](O)COCc2ccccc2)C1 ZINC000583747777 337328687 /nfs/dbraw/zinc/32/86/87/337328687.db2.gz DDFCKSMGDPKXCA-MOPGFXCFSA-N 1 3 320.477 2.132 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](CN(C)C/C=C\Cl)C1 ZINC001376294882 1159321770 /nfs/dbraw/zinc/32/17/70/1159321770.db2.gz QKWULMNDAZRMSJ-WUKHSURWSA-N 1 3 315.889 2.251 20 0 DEADHO CC[C@H](F)C[NH2+]CC1(NC(=O)[C@H](CC)N(C)C)CCCC1 ZINC001378361968 1152305243 /nfs/dbraw/zinc/30/52/43/1152305243.db2.gz GLXNIYDCLCPECM-KBPBESRZSA-N 1 3 301.450 2.093 20 0 DEADHO CC[C@H](C)C[NH2+]CC1(NC(=O)Cc2nc[nH]c2C)CCCC1 ZINC001378375072 1152309436 /nfs/dbraw/zinc/30/94/36/1152309436.db2.gz QEZBIMGTSHFOFN-ZDUSSCGKSA-N 1 3 306.454 2.325 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CC[N@H+](CCC2CC2)C1)N1CCCC1 ZINC001377445545 1160373734 /nfs/dbraw/zinc/37/37/34/1160373734.db2.gz LXSCSCSXWWHKKZ-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CC[N@@H+](CCC2CC2)C1)N1CCCC1 ZINC001377445545 1160373742 /nfs/dbraw/zinc/37/37/42/1160373742.db2.gz LXSCSCSXWWHKKZ-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@]1(C[NH2+]CC2CC2)CCCC[C@H]1C ZINC001378432777 1152327145 /nfs/dbraw/zinc/32/71/45/1152327145.db2.gz ORISQWUGMVFOJC-CRAIPNDOSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21)N(C)C ZINC001378691830 1152416663 /nfs/dbraw/zinc/41/66/63/1152416663.db2.gz CJFBDDFVIBRVPJ-WCXIOVBPSA-N 1 3 323.525 2.447 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21)N(C)C ZINC001378691830 1152416664 /nfs/dbraw/zinc/41/66/64/1152416664.db2.gz CJFBDDFVIBRVPJ-WCXIOVBPSA-N 1 3 323.525 2.447 20 0 DEADHO CC(C)[NH2+]Cc1ccc(CNC(=O)C2(N(C)C)CCC2)c(F)c1 ZINC001369591643 1149055031 /nfs/dbraw/zinc/05/50/31/1149055031.db2.gz YVBGSKCTAVMBBQ-UHFFFAOYSA-N 1 3 321.440 2.424 20 0 DEADHO C[NH+](C)CCCC(=O)NC[C@H]1CCN(Cc2ccsc2)C1 ZINC001399933945 1161611707 /nfs/dbraw/zinc/61/17/07/1161611707.db2.gz VIWDVKAZXIEQCM-CQSZACIVSA-N 1 3 309.479 2.028 20 0 DEADHO C[C@H](NC[C@H](CO)Cc1c(F)cccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000422790445 533895040 /nfs/dbraw/zinc/89/50/40/533895040.db2.gz BZDNHPFXEUCNPY-YNEHKIRRSA-N 1 3 314.832 2.218 20 0 DEADHO C[C@@H](CNC(=O)C[C@H](N)c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000448236419 533905422 /nfs/dbraw/zinc/90/54/22/533905422.db2.gz BHKOMBSVSJVITK-VYDXJSESSA-N 1 3 303.450 2.456 20 0 DEADHO C[C@@H](CNC(=O)C[C@H](N)c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000448236419 533905430 /nfs/dbraw/zinc/90/54/30/533905430.db2.gz BHKOMBSVSJVITK-VYDXJSESSA-N 1 3 303.450 2.456 20 0 DEADHO C[C@@H]1CCNCC[C@H]1[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000422894732 534072339 /nfs/dbraw/zinc/07/23/39/534072339.db2.gz DBOGJCUIKUTZPT-CRAIPNDOSA-N 1 3 302.466 2.024 20 0 DEADHO C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)N1CCCC[C@@H]1C ZINC000443625064 534083203 /nfs/dbraw/zinc/08/32/03/534083203.db2.gz HJJHIKDZCHEAHW-TWMKSMIVSA-N 1 3 324.513 2.231 20 0 DEADHO C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)N1CCCC[C@@H]1C ZINC000443625064 534083208 /nfs/dbraw/zinc/08/32/08/534083208.db2.gz HJJHIKDZCHEAHW-TWMKSMIVSA-N 1 3 324.513 2.231 20 0 DEADHO C[C@@H](C[C@@H]1COCCN1)[NH2+]CC(C)(C)N1C[C@H](C)C[C@H](C)C1 ZINC000422755942 534204352 /nfs/dbraw/zinc/20/43/52/534204352.db2.gz IHKODRGFCQFGHX-VVLHAWIVSA-N 1 3 311.514 2.100 20 0 DEADHO C[C@@H](C[C@@H]1COCCN1)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422755942 534204359 /nfs/dbraw/zinc/20/43/59/534204359.db2.gz IHKODRGFCQFGHX-VVLHAWIVSA-N 1 3 311.514 2.100 20 0 DEADHO C[C@@H](C[C@@H]1COCCN1)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422755942 534204363 /nfs/dbraw/zinc/20/43/63/534204363.db2.gz IHKODRGFCQFGHX-VVLHAWIVSA-N 1 3 311.514 2.100 20 0 DEADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000422770821 534389170 /nfs/dbraw/zinc/38/91/70/534389170.db2.gz WSNRTOVJLFMNAE-ZSYWTGECSA-N 1 3 302.462 2.348 20 0 DEADHO O=C(NCC[C@H]1CCC[NH2+]1)c1cccc(CN2CCCC2)c1 ZINC000444264010 534427584 /nfs/dbraw/zinc/42/75/84/534427584.db2.gz HEZKTHCMTUDXAU-QGZVFWFLSA-N 1 3 301.434 2.154 20 0 DEADHO C[C@@H]1CN(C(C)(C)CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000422797397 534436944 /nfs/dbraw/zinc/43/69/44/534436944.db2.gz MJUNRHQVOPADQI-DUQPFJRNSA-N 1 3 323.525 2.385 20 0 DEADHO CC(C)N1CCN(CCC[N@H+](C)CCc2ccccc2O)CC1 ZINC000337318751 519681711 /nfs/dbraw/zinc/68/17/11/519681711.db2.gz NBQDGKYQMZDPCR-UHFFFAOYSA-N 1 3 319.493 2.283 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+](C)CCc2ccccc2O)CC1 ZINC000337318751 519681712 /nfs/dbraw/zinc/68/17/12/519681712.db2.gz NBQDGKYQMZDPCR-UHFFFAOYSA-N 1 3 319.493 2.283 20 0 DEADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](C)N2CCCC[C@@H]2C)C1 ZINC000338299538 519863141 /nfs/dbraw/zinc/86/31/41/519863141.db2.gz WMEVKFQJODTHTL-GVDBMIGSSA-N 1 3 324.513 2.280 20 0 DEADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H](C)N2CCCC[C@@H]2C)C1 ZINC000338299538 519863142 /nfs/dbraw/zinc/86/31/42/519863142.db2.gz WMEVKFQJODTHTL-GVDBMIGSSA-N 1 3 324.513 2.280 20 0 DEADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H](C)N2CCCC[C@H]2C)C1 ZINC000338299539 519863364 /nfs/dbraw/zinc/86/33/64/519863364.db2.gz WMEVKFQJODTHTL-IXDOHACOSA-N 1 3 324.513 2.280 20 0 DEADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H](C)N2CCCC[C@H]2C)C1 ZINC000338299539 519863366 /nfs/dbraw/zinc/86/33/66/519863366.db2.gz WMEVKFQJODTHTL-IXDOHACOSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC(N(C)C/C=C\Cl)CC1)[NH+](C)C ZINC001378905229 1152485676 /nfs/dbraw/zinc/48/56/76/1152485676.db2.gz PJLNVKXPOMLGPK-WUKHSURWSA-N 1 3 315.889 2.248 20 0 DEADHO Cc1cnccc1C[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000294964137 534708181 /nfs/dbraw/zinc/70/81/81/534708181.db2.gz CPVQUVFJJUELOE-ROUUACIJSA-N 1 3 303.450 2.248 20 0 DEADHO CCCN(C)CC(=O)N1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001378935171 1152496718 /nfs/dbraw/zinc/49/67/18/1152496718.db2.gz OOWOPKMIDAFQLT-UHFFFAOYSA-N 1 3 317.477 2.451 20 0 DEADHO CCCN(C)CC(=O)N1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001378935171 1152496721 /nfs/dbraw/zinc/49/67/21/1152496721.db2.gz OOWOPKMIDAFQLT-UHFFFAOYSA-N 1 3 317.477 2.451 20 0 DEADHO C1CC1[C@H](NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CNCCO1 ZINC000422817876 526421200 /nfs/dbraw/zinc/42/12/00/526421200.db2.gz FCDIFEZPLSRGKH-MOPGFXCFSA-N 1 3 321.509 2.140 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](N)c2ccccc2)C[C@@H]1C ZINC000418433148 527822139 /nfs/dbraw/zinc/82/21/39/527822139.db2.gz UBMFKQAGJMYHGF-BHYGNILZSA-N 1 3 318.465 2.201 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](N)c2ccccc2)C[C@@H]1C ZINC000418433148 527822142 /nfs/dbraw/zinc/82/21/42/527822142.db2.gz UBMFKQAGJMYHGF-BHYGNILZSA-N 1 3 318.465 2.201 20 0 DEADHO CC(C)CN(CCN(C)C)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422248253 527939323 /nfs/dbraw/zinc/93/93/23/527939323.db2.gz ZLQKKOUYIOILOI-UHFFFAOYSA-N 1 3 312.502 2.088 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)NCCC[NH2+]C2CC2)cc1 ZINC000418293286 528131594 /nfs/dbraw/zinc/13/15/94/528131594.db2.gz ZWQDZWGESDIEQN-KRWDZBQOSA-N 1 3 318.465 2.251 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000418317615 528143371 /nfs/dbraw/zinc/14/33/71/528143371.db2.gz MXMRGOBMHDMNBF-WMLDXEAASA-N 1 3 318.465 2.109 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@H](N)c1ccccc1 ZINC000418200353 528355914 /nfs/dbraw/zinc/35/59/14/528355914.db2.gz PWQHPHGIJAQSAI-HOCLYGCPSA-N 1 3 306.454 2.106 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@H](N)c1ccccc1 ZINC000418200353 528355919 /nfs/dbraw/zinc/35/59/19/528355919.db2.gz PWQHPHGIJAQSAI-HOCLYGCPSA-N 1 3 306.454 2.106 20 0 DEADHO CCN(CCC[NH+](C)C)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448254601 528437769 /nfs/dbraw/zinc/43/77/69/528437769.db2.gz FPNHCIDSTOSTLP-OAHLLOKOSA-N 1 3 312.502 2.090 20 0 DEADHO CCC[NH2+]CCNC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000418174503 528503658 /nfs/dbraw/zinc/50/36/58/528503658.db2.gz FBDGWOYCKFMZOA-WBVHZDCISA-N 1 3 320.481 2.285 20 0 DEADHO CCOc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443057031 528539271 /nfs/dbraw/zinc/53/92/71/528539271.db2.gz FCDTYKHFGZMCTP-CABCVRRESA-N 1 3 319.449 2.473 20 0 DEADHO CCC([NH3+])(CC)CNC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000418432907 528928381 /nfs/dbraw/zinc/92/83/81/528928381.db2.gz BBTKWYRQDDVKLB-OAHLLOKOSA-N 1 3 310.486 2.164 20 0 DEADHO CCCC[C@H](C[NH3+])NC(=O)N(CCC)CCN1CCCCC1 ZINC000418466680 528935083 /nfs/dbraw/zinc/93/50/83/528935083.db2.gz NZLZMGYRMKHRAK-MRXNPFEDSA-N 1 3 312.502 2.411 20 0 DEADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)[C@H](C)C[NH3+] ZINC000418032557 528989045 /nfs/dbraw/zinc/98/90/45/528989045.db2.gz MCPCCKFTIUVBJA-WBVHZDCISA-N 1 3 320.481 2.132 20 0 DEADHO CCN1CCN(Cc2ccccc2CN[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000422893168 529149730 /nfs/dbraw/zinc/14/97/30/529149730.db2.gz PDTCOJJVIANFAN-DLBZAZTESA-N 1 3 318.509 2.040 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N[C@@H](C)C1=CCN(C)CC1)C(C)C ZINC000358109228 535054683 /nfs/dbraw/zinc/05/46/83/535054683.db2.gz XMKZKGVSNZUWDB-INIZCTEOSA-N 1 3 324.513 2.445 20 0 DEADHO CC(C)N1CCN(CCC[NH+]2CCC3(CCOCC3)CC2)CC1 ZINC000375293319 535199092 /nfs/dbraw/zinc/19/90/92/535199092.db2.gz QGZKRMKCPARAEM-UHFFFAOYSA-N 1 3 323.525 2.295 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000261643765 535674223 /nfs/dbraw/zinc/67/42/23/535674223.db2.gz GNNTUXJFERFOKZ-DJIMGWMZSA-N 1 3 303.450 2.041 20 0 DEADHO CCC[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cccnc1 ZINC000349445564 535703317 /nfs/dbraw/zinc/70/33/17/535703317.db2.gz FVCIYUVKOGBVLO-IRXDYDNUSA-N 1 3 318.465 2.100 20 0 DEADHO CN(C)CCN1CCC([NH2+]C2CCC3(CCCO3)CC2)CC1 ZINC000375514458 535872170 /nfs/dbraw/zinc/87/21/70/535872170.db2.gz NTMLXUUNSNHFBY-UHFFFAOYSA-N 1 3 309.498 2.094 20 0 DEADHO CC[C@@]1(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)CC[NH2+]C1 ZINC000360466550 536025508 /nfs/dbraw/zinc/02/55/08/536025508.db2.gz MIJVZAQFEMKVAZ-SJLPKXTDSA-N 1 3 303.450 2.316 20 0 DEADHO CC[C@@]1(C(=O)Nc2cccc(OCCN(C)C)c2)CCC[NH2+]1 ZINC000262375224 536026884 /nfs/dbraw/zinc/02/68/84/536026884.db2.gz XXSLFWLKYFCDDU-KRWDZBQOSA-N 1 3 305.422 2.098 20 0 DEADHO CN(CCCO)C1CC[NH+](C[C@H]2CCOc3ccccc32)CC1 ZINC000370344136 536357278 /nfs/dbraw/zinc/35/72/78/536357278.db2.gz UZZUWEFWVUBRTE-MRXNPFEDSA-N 1 3 318.461 2.331 20 0 DEADHO CN(CCCO)C1CC[NH+](C[C@@H]2CCOc3ccccc32)CC1 ZINC000370344135 536357324 /nfs/dbraw/zinc/35/73/24/536357324.db2.gz UZZUWEFWVUBRTE-INIZCTEOSA-N 1 3 318.461 2.331 20 0 DEADHO C[NH2+]CCc1ccccc1C(=O)N[C@H](C)CN1CCCCC1 ZINC000262297324 536447291 /nfs/dbraw/zinc/44/72/91/536447291.db2.gz OAWJYNUYJXLKBB-OAHLLOKOSA-N 1 3 303.450 2.053 20 0 DEADHO CC(C)[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CC[C@H](C)F ZINC001378974337 1152514791 /nfs/dbraw/zinc/51/47/91/1152514791.db2.gz ZBXFGNMXVTXIAG-GJZGRUSLSA-N 1 3 315.477 2.339 20 0 DEADHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001379236939 1152594544 /nfs/dbraw/zinc/59/45/44/1152594544.db2.gz HYVIFTMMXYTMMP-RHSMWYFYSA-N 1 3 323.456 2.433 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001379331371 1152610199 /nfs/dbraw/zinc/61/01/99/1152610199.db2.gz QGBUSIAYNIIDNK-OAHLLOKOSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1cc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CN(C)C(C)C)C2)cs1 ZINC001379593005 1152648204 /nfs/dbraw/zinc/64/82/04/1152648204.db2.gz XGWNKRNPQYBHTQ-CZUORRHYSA-N 1 3 323.506 2.476 20 0 DEADHO CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001380177260 1152762661 /nfs/dbraw/zinc/76/26/61/1152762661.db2.gz AZGLTPWFQIPFRH-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001380177260 1152762663 /nfs/dbraw/zinc/76/26/63/1152762663.db2.gz AZGLTPWFQIPFRH-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](F)C[N@H+](C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001381980709 1153293862 /nfs/dbraw/zinc/29/38/62/1153293862.db2.gz YKCTZQJXGQMNOJ-ZBFHGGJFSA-N 1 3 315.477 2.244 20 0 DEADHO CC[C@@H](F)C[N@@H+](C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001381980709 1153293870 /nfs/dbraw/zinc/29/38/70/1153293870.db2.gz YKCTZQJXGQMNOJ-ZBFHGGJFSA-N 1 3 315.477 2.244 20 0 DEADHO COc1ccc(C[C@H](C)N[C@@H]2C[C@@H]([NH3+])C23CCC3)cc1OC ZINC000925575223 625398741 /nfs/dbraw/zinc/39/87/41/625398741.db2.gz REHUESUMIVSOJJ-JCURWCKSSA-N 1 3 304.434 2.494 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@H]1NCCCC(=O)N1Cc2ccccc2C1 ZINC000925599415 625437504 /nfs/dbraw/zinc/43/75/04/625437504.db2.gz YWYRMSODDXWLSY-WMLDXEAASA-N 1 3 301.434 2.039 20 0 DEADHO O[C@@H](CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)Cc1ccccc1 ZINC000925671345 625590283 /nfs/dbraw/zinc/59/02/83/625590283.db2.gz PGBNMYLLJAHABO-QYZOEREBSA-N 1 3 302.462 2.348 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC000969588695 622830203 /nfs/dbraw/zinc/83/02/03/622830203.db2.gz QVKHOBOYBMITPS-KBAYOESNSA-N 1 3 315.461 2.341 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCC(C)C)C1 ZINC000969792432 622922977 /nfs/dbraw/zinc/92/29/77/622922977.db2.gz JEXYPCVHZUEMBY-DOTOQJQBSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC001020585375 622925029 /nfs/dbraw/zinc/92/50/29/622925029.db2.gz UPCPWHGZQUZIEY-SZMVWBNQSA-N 1 3 315.461 2.216 20 0 DEADHO CC(C)=CCN1CC([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000969943023 623010273 /nfs/dbraw/zinc/01/02/73/623010273.db2.gz AJVAQCUDAWSVRF-INIZCTEOSA-N 1 3 319.493 2.265 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001021274301 623461982 /nfs/dbraw/zinc/46/19/82/623461982.db2.gz RGFCONRGIIODQX-NPYXIHBLSA-N 1 3 307.482 2.381 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001021274301 623461983 /nfs/dbraw/zinc/46/19/83/623461983.db2.gz RGFCONRGIIODQX-NPYXIHBLSA-N 1 3 307.482 2.381 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCCF)C1 ZINC000970528732 623521614 /nfs/dbraw/zinc/52/16/14/623521614.db2.gz JGPFDCNLGGXXLH-GDBMZVCRSA-N 1 3 313.461 2.045 20 0 DEADHO CCc1ccc([C@H](CNC(=O)NCCC(C)(C)[NH3+])N(C)C)cc1 ZINC000891322127 624002749 /nfs/dbraw/zinc/00/27/49/624002749.db2.gz JSOXHVFXNKPIDV-INIZCTEOSA-N 1 3 320.481 2.278 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001026732289 625693998 /nfs/dbraw/zinc/69/39/98/625693998.db2.gz BLYJPGNDPPVGJH-SJORKVTESA-N 1 3 307.482 2.099 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC000971202024 624068627 /nfs/dbraw/zinc/06/86/27/624068627.db2.gz RYUBPTSVTYQTLC-JKSUJKDBSA-N 1 3 307.482 2.050 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC000971202024 624068628 /nfs/dbraw/zinc/06/86/28/624068628.db2.gz RYUBPTSVTYQTLC-JKSUJKDBSA-N 1 3 307.482 2.050 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001026734070 625702932 /nfs/dbraw/zinc/70/29/32/625702932.db2.gz KXYKBESSHOLYHH-IAGOWNOFSA-N 1 3 305.466 2.019 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2cccc(C)c2)C1)N(C)C ZINC000971780231 624544667 /nfs/dbraw/zinc/54/46/67/624544667.db2.gz WMGSEIYFVWBHEB-ZWKOTPCHSA-N 1 3 317.477 2.368 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(C)c2)C1)N(C)C ZINC000971780231 624544668 /nfs/dbraw/zinc/54/46/68/624544668.db2.gz WMGSEIYFVWBHEB-ZWKOTPCHSA-N 1 3 317.477 2.368 20 0 DEADHO CN(CCCCCC[NH3+])C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000891858321 624632662 /nfs/dbraw/zinc/63/26/62/624632662.db2.gz NUYJCYOOAKNBKX-INIZCTEOSA-N 1 3 310.486 2.164 20 0 DEADHO CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001022711458 624863974 /nfs/dbraw/zinc/86/39/74/624863974.db2.gz YXAVFJKSTVFIPR-JKIFEVAISA-N 1 3 313.461 2.092 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001022712954 624865988 /nfs/dbraw/zinc/86/59/88/624865988.db2.gz DTHMZMUGBVZHCS-JCGIZDLHSA-N 1 3 315.461 2.074 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCC2)C1 ZINC001020144202 625046762 /nfs/dbraw/zinc/04/67/62/625046762.db2.gz USOSMCTVXXFABQ-BRWVUGGUSA-N 1 3 307.482 2.286 20 0 DEADHO CNC(=O)[C@H](CCSC)N[C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926430716 625056601 /nfs/dbraw/zinc/05/66/01/625056601.db2.gz CENRLTHJFFVUMX-BBRMVZONSA-N 1 3 323.506 2.267 20 0 DEADHO CC1(C)[C@@H](NC[C@H](CO)Cc2ccccc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925504613 625113633 /nfs/dbraw/zinc/11/36/33/625113633.db2.gz QKMKXADWMQIYMI-BDXSIMOUSA-N 1 3 302.462 2.204 20 0 DEADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@H](CO)Cc1ccccc1 ZINC000925504613 625113638 /nfs/dbraw/zinc/11/36/38/625113638.db2.gz QKMKXADWMQIYMI-BDXSIMOUSA-N 1 3 302.462 2.204 20 0 DEADHO OCCOCCNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000924572706 625124594 /nfs/dbraw/zinc/12/45/94/625124594.db2.gz VKMYYLMTVXCDCP-YQQQUEKLSA-N 1 3 318.461 2.171 20 0 DEADHO OCCOCCNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000924572706 625124595 /nfs/dbraw/zinc/12/45/95/625124595.db2.gz VKMYYLMTVXCDCP-YQQQUEKLSA-N 1 3 318.461 2.171 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001025100784 625211268 /nfs/dbraw/zinc/21/12/68/625211268.db2.gz NVRVWSVNBRBBJS-QGZVFWFLSA-N 1 3 312.417 2.123 20 0 DEADHO FC(F)CN1CCC([NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925534028 625237819 /nfs/dbraw/zinc/23/78/19/625237819.db2.gz IPMMINCYUNFDNX-CVEARBPZSA-N 1 3 315.452 2.474 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001023365061 625239284 /nfs/dbraw/zinc/23/92/84/625239284.db2.gz WBKHPLZITALNHJ-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001023365061 625239287 /nfs/dbraw/zinc/23/92/87/625239287.db2.gz WBKHPLZITALNHJ-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCCF)C1 ZINC001023366170 625240786 /nfs/dbraw/zinc/24/07/86/625240786.db2.gz OUFZAQULVQYGPA-CVEARBPZSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCCF)C1 ZINC001023366170 625240787 /nfs/dbraw/zinc/24/07/87/625240787.db2.gz OUFZAQULVQYGPA-CVEARBPZSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCCF ZINC001024436282 625762449 /nfs/dbraw/zinc/76/24/49/625762449.db2.gz BBXSBNOHXKXHQU-HZPDHXFCSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCCF ZINC001024436282 625762454 /nfs/dbraw/zinc/76/24/54/625762454.db2.gz BBXSBNOHXKXHQU-HZPDHXFCSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N(C)[C@H]1CCCN(C)C1)C(C)C ZINC000893370327 625768527 /nfs/dbraw/zinc/76/85/27/625768527.db2.gz KXTWTQOIMVUACX-INIZCTEOSA-N 1 3 312.502 2.231 20 0 DEADHO [O-]c1cc(Cl)cc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000892950257 625773719 /nfs/dbraw/zinc/77/37/19/625773719.db2.gz BITIQPPKCQDWLB-OAHLLOKOSA-N 1 3 312.841 2.372 20 0 DEADHO [O-]c1cc(Cl)cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000892950257 625773725 /nfs/dbraw/zinc/77/37/25/625773725.db2.gz BITIQPPKCQDWLB-OAHLLOKOSA-N 1 3 312.841 2.372 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC1 ZINC001024523388 625838213 /nfs/dbraw/zinc/83/82/13/625838213.db2.gz PXJLSWFCVBLQTG-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CC1 ZINC001024523388 625838218 /nfs/dbraw/zinc/83/82/18/625838218.db2.gz PXJLSWFCVBLQTG-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](NCCOCC[NH+](C)C)c1cnn(-c2ccccc2)c1 ZINC000318445182 625945407 /nfs/dbraw/zinc/94/54/07/625945407.db2.gz QFJVNIXXFDTPMM-OAHLLOKOSA-N 1 3 302.422 2.101 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)C2CC([NH2+]Cc3ccccc3)C2)C1 ZINC000999408987 634586337 /nfs/dbraw/zinc/58/63/37/634586337.db2.gz NUVSXQNSOKJXDF-FAEJEUNOSA-N 1 3 315.461 2.107 20 0 DEADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]CCC2CCCC2)C1 ZINC000999472461 634603372 /nfs/dbraw/zinc/60/33/72/634603372.db2.gz HALHAVUAURHCTJ-UHFFFAOYSA-N 1 3 304.438 2.112 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CC2=CCCCC2)C1)N(C)C ZINC000999488323 634618989 /nfs/dbraw/zinc/61/89/89/634618989.db2.gz DSVNETSCOGRBFM-DLBZAZTESA-N 1 3 307.482 2.408 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccsc2)C1)N(C)C ZINC001000223978 634799113 /nfs/dbraw/zinc/79/91/13/634799113.db2.gz HATAIXLRDJEQLO-CABCVRRESA-N 1 3 309.479 2.169 20 0 DEADHO CC(C)(C(=O)N1C[C@@H]([NH2+]CCC2CC2)C(C)(C)C1)N1CCCC1 ZINC000996124849 633190923 /nfs/dbraw/zinc/19/09/23/633190923.db2.gz IDWFXDGZZXKOSV-MRXNPFEDSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)(C)OC(=O)NC1CC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000299982859 633306660 /nfs/dbraw/zinc/30/66/60/633306660.db2.gz UYUOMTZHUFVVSN-PPWQZUPISA-N 1 3 309.454 2.259 20 0 DEADHO CC(C)(C)OC(=O)NC1CC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000299982859 633306667 /nfs/dbraw/zinc/30/66/67/633306667.db2.gz UYUOMTZHUFVVSN-PPWQZUPISA-N 1 3 309.454 2.259 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]Cc2ccccc2)CC1)C1CC1 ZINC000996676405 633346924 /nfs/dbraw/zinc/34/69/24/633346924.db2.gz HJTFPMOCVZZDNK-GOSISDBHSA-N 1 3 315.461 2.107 20 0 DEADHO CC(=O)OC[C@H](C)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000893411807 633513572 /nfs/dbraw/zinc/51/35/72/633513572.db2.gz IJCNOVOXXGCDFZ-HDMKZQKVSA-N 1 3 304.434 2.438 20 0 DEADHO CC(=O)OC[C@H](C)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000893411807 633513573 /nfs/dbraw/zinc/51/35/73/633513573.db2.gz IJCNOVOXXGCDFZ-HDMKZQKVSA-N 1 3 304.434 2.438 20 0 DEADHO CC[C@@H](C(=O)N1CCC([NH2+]CCc2cccs2)CC1)N(C)C ZINC000997016235 633561939 /nfs/dbraw/zinc/56/19/39/633561939.db2.gz UDGWVQPOGFCHNC-INIZCTEOSA-N 1 3 323.506 2.211 20 0 DEADHO COC(=O)c1ccc2c(c1)CN(CC1CC[NH+](C)CC1)CC2 ZINC000893436333 633636747 /nfs/dbraw/zinc/63/67/47/633636747.db2.gz YOSSUCHQROAEHK-UHFFFAOYSA-N 1 3 302.418 2.173 20 0 DEADHO CC(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001027407176 633744582 /nfs/dbraw/zinc/74/45/82/633744582.db2.gz BBRVSNARCQYIGM-IAGOWNOFSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001027407176 633744587 /nfs/dbraw/zinc/74/45/87/633744587.db2.gz BBRVSNARCQYIGM-IAGOWNOFSA-N 1 3 309.498 2.438 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC(C[NH2+]CC2CCCC2)CC1 ZINC000998080908 634132747 /nfs/dbraw/zinc/13/27/47/634132747.db2.gz FOUJCEZMUKIPHG-INIZCTEOSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CCC2)C1)N(C)C ZINC001027563115 634150865 /nfs/dbraw/zinc/15/08/65/634150865.db2.gz FVFDCAKAUXEYAZ-DLBZAZTESA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CCC2)C1)N(C)C ZINC001027563115 634150868 /nfs/dbraw/zinc/15/08/68/634150868.db2.gz FVFDCAKAUXEYAZ-DLBZAZTESA-N 1 3 309.498 2.296 20 0 DEADHO C[C@H](NCCC(C)(C)[NH3+])[C@H](c1ccccc1)N1CCOCC1 ZINC000925740042 634331724 /nfs/dbraw/zinc/33/17/24/634331724.db2.gz GNSICPMGTLBZGJ-DOTOQJQBSA-N 1 3 305.466 2.165 20 0 DEADHO CC1CCC(C[N@H+](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)CC1 ZINC000980404527 634988754 /nfs/dbraw/zinc/98/87/54/634988754.db2.gz BQCVGPSWOMILJH-ABHNRTSZSA-N 1 3 321.509 2.441 20 0 DEADHO CC1CCC(C[N@@H+](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)CC1 ZINC000980404527 634988755 /nfs/dbraw/zinc/98/87/55/634988755.db2.gz BQCVGPSWOMILJH-ABHNRTSZSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)(C)N1CC[C@](F)(C(=O)NCC[N@@H+]2CCCC2(C)C)C1 ZINC000837174006 650170872 /nfs/dbraw/zinc/17/08/72/650170872.db2.gz BOMMOKBTKRQUFX-QGZVFWFLSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)(C)N1CC[C@](F)(C(=O)NCC[N@H+]2CCCC2(C)C)C1 ZINC000837174006 650170876 /nfs/dbraw/zinc/17/08/76/650170876.db2.gz BOMMOKBTKRQUFX-QGZVFWFLSA-N 1 3 313.461 2.190 20 0 DEADHO Cc1cccc(C[NH2+][C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001000305314 635136215 /nfs/dbraw/zinc/13/62/15/635136215.db2.gz BVGXRROQCRKFMA-MRXNPFEDSA-N 1 3 312.417 2.041 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)cc1 ZINC001000316069 635144131 /nfs/dbraw/zinc/14/41/31/635144131.db2.gz FIGOPVBTSINDJI-INIZCTEOSA-N 1 3 312.417 2.041 20 0 DEADHO C[C@H]1C[C@@H](C[NH2+]Cc2ccsc2)CN1C(=O)CN1CCCC1 ZINC000980799242 635155552 /nfs/dbraw/zinc/15/55/52/635155552.db2.gz FYQRBEQBJHSAIM-HOCLYGCPSA-N 1 3 321.490 2.171 20 0 DEADHO C[C@@H]1C[C@@H](C[NH2+]Cc2ccccc2)CN1C(=O)CN1CCCC1 ZINC000980798687 635156387 /nfs/dbraw/zinc/15/63/87/635156387.db2.gz CWGACIUADCCXDO-AEFFLSMTSA-N 1 3 315.461 2.109 20 0 DEADHO CC[N@H+]1CC=C(CNC(=O)c2ccccc2CN(C)C)CC1 ZINC001001468459 635503525 /nfs/dbraw/zinc/50/35/25/635503525.db2.gz SYJKDYMIDIAOFD-UHFFFAOYSA-N 1 3 301.434 2.130 20 0 DEADHO CC[N@@H+]1CC=C(CNC(=O)c2ccccc2CN(C)C)CC1 ZINC001001468459 635503527 /nfs/dbraw/zinc/50/35/27/635503527.db2.gz SYJKDYMIDIAOFD-UHFFFAOYSA-N 1 3 301.434 2.130 20 0 DEADHO CC(C)CC[N@@H+]1CCCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000981809892 635665215 /nfs/dbraw/zinc/66/52/15/635665215.db2.gz HVKZGPPWDVHWBF-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)CC[N@H+]1CCCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000981809892 635665217 /nfs/dbraw/zinc/66/52/17/635665217.db2.gz HVKZGPPWDVHWBF-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCCN(CC2=CCCCC2)CC1 ZINC000981960417 635769907 /nfs/dbraw/zinc/76/99/07/635769907.db2.gz VNBKNLBGIZFEER-AEFFLSMTSA-N 1 3 319.493 2.219 20 0 DEADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCCN(CC2=CCCCC2)CC1 ZINC000981960417 635769911 /nfs/dbraw/zinc/76/99/11/635769911.db2.gz VNBKNLBGIZFEER-AEFFLSMTSA-N 1 3 319.493 2.219 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@H+](CCC1CC1)C2 ZINC000982011804 635811291 /nfs/dbraw/zinc/81/12/91/635811291.db2.gz JPBDKXTWWOQLRV-MRXNPFEDSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@@H+](CCC1CC1)C2 ZINC000982011804 635811294 /nfs/dbraw/zinc/81/12/94/635811294.db2.gz JPBDKXTWWOQLRV-MRXNPFEDSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@@H]1CN(CCC[NH2+]Cc2ccnn2C2CCC2)CCCO1 ZINC000922064810 635838224 /nfs/dbraw/zinc/83/82/24/635838224.db2.gz QHKOJTWAHGYWOF-OAHLLOKOSA-N 1 3 306.454 2.199 20 0 DEADHO CC[N@@H+]1CCCC2(CN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC000982160944 635893585 /nfs/dbraw/zinc/89/35/85/635893585.db2.gz GSAPVJGKONKAFJ-UHFFFAOYSA-N 1 3 315.461 2.306 20 0 DEADHO CC[N@H+]1CCCC2(CN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC000982160944 635893587 /nfs/dbraw/zinc/89/35/87/635893587.db2.gz GSAPVJGKONKAFJ-UHFFFAOYSA-N 1 3 315.461 2.306 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@@H]2CCCN(C)C2)C1 ZINC000893769809 636033365 /nfs/dbraw/zinc/03/33/65/636033365.db2.gz AWUNVHNTESWAJX-DLBZAZTESA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(C)[C@@H]2CCCN(C)C2)C1 ZINC000893769809 636033367 /nfs/dbraw/zinc/03/33/67/636033367.db2.gz AWUNVHNTESWAJX-DLBZAZTESA-N 1 3 324.513 2.090 20 0 DEADHO CC[C@@H](C)C[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH]cn3)C[C@@]2(C)C1 ZINC000982597685 636302312 /nfs/dbraw/zinc/30/23/12/636302312.db2.gz BFLFQZOUTYEEPT-OLMNPRSZSA-N 1 3 318.465 2.169 20 0 DEADHO CC[C@@H](C)C[N@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH]cn3)C[C@@]2(C)C1 ZINC000982597685 636302317 /nfs/dbraw/zinc/30/23/17/636302317.db2.gz BFLFQZOUTYEEPT-OLMNPRSZSA-N 1 3 318.465 2.169 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001028536419 636327995 /nfs/dbraw/zinc/32/79/95/636327995.db2.gz BUHULLYECJXGLH-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001028536419 636327998 /nfs/dbraw/zinc/32/79/98/636327998.db2.gz BUHULLYECJXGLH-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO C[N@@H+]1CC[C@@H](NC[C@@H]2CCN2C(=O)OC(C)(C)C)CC1(C)C ZINC000922790266 636401641 /nfs/dbraw/zinc/40/16/41/636401641.db2.gz ADSIHJDIKKHHCE-KGLIPLIRSA-N 1 3 311.470 2.458 20 0 DEADHO C[N@H+]1CC[C@@H](NC[C@@H]2CCN2C(=O)OC(C)(C)C)CC1(C)C ZINC000922790266 636401642 /nfs/dbraw/zinc/40/16/42/636401642.db2.gz ADSIHJDIKKHHCE-KGLIPLIRSA-N 1 3 311.470 2.458 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623170 636475416 /nfs/dbraw/zinc/47/54/16/636475416.db2.gz FPFVQDXMNCJPCN-KSZLIROESA-N 1 3 321.509 2.297 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623170 636475418 /nfs/dbraw/zinc/47/54/18/636475418.db2.gz FPFVQDXMNCJPCN-KSZLIROESA-N 1 3 321.509 2.297 20 0 DEADHO C[C@@H]([NH2+]CC1CC1)[C@@H]1CCCCN1C(=O)CN1CCC(C)(C)C1 ZINC001004936650 636617504 /nfs/dbraw/zinc/61/75/04/636617504.db2.gz HAXBSKRMWBQBEJ-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCCF)C1 ZINC001028845086 636783231 /nfs/dbraw/zinc/78/32/31/636783231.db2.gz FSLKAXHEHDUXPN-JKSUJKDBSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCCF)C1 ZINC001028845086 636783233 /nfs/dbraw/zinc/78/32/33/636783233.db2.gz FSLKAXHEHDUXPN-JKSUJKDBSA-N 1 3 313.461 2.047 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)CN[C@](C)(C[NH3+])C(C)C)c1C ZINC000923297092 637098081 /nfs/dbraw/zinc/09/80/81/637098081.db2.gz YCHCNEKWAOHHQK-SJLPKXTDSA-N 1 3 308.466 2.315 20 0 DEADHO c1csc(CN(C[C@H]2CC3(C[NH2+]C3)CO2)C[C@@H]2CCCO2)c1 ZINC000923302728 637102136 /nfs/dbraw/zinc/10/21/36/637102136.db2.gz VHGRLUTZLAYLCW-LSDHHAIUSA-N 1 3 322.474 2.108 20 0 DEADHO Cc1csc(N2CCN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)n1 ZINC000923320607 637114354 /nfs/dbraw/zinc/11/43/54/637114354.db2.gz AUFXOOHLWLMYAB-MQVJKMGUSA-N 1 3 320.506 2.494 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCN(C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000923333034 637119640 /nfs/dbraw/zinc/11/96/40/637119640.db2.gz STZRABRJODBSHT-WHOFXGATSA-N 1 3 316.367 2.278 20 0 DEADHO CCOC[C@H](O)CN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000923341483 637128523 /nfs/dbraw/zinc/12/85/23/637128523.db2.gz KUZVCOZQKZJLGN-CVEARBPZSA-N 1 3 324.490 2.090 20 0 DEADHO O[C@H](CN1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccc(F)cc1F ZINC000923357448 637131328 /nfs/dbraw/zinc/13/13/28/637131328.db2.gz NTBMZCGQKLJHOT-CXAGYDPISA-N 1 3 310.388 2.320 20 0 DEADHO C[C@@]1(C[NH3+])CCN(C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000923355090 637134551 /nfs/dbraw/zinc/13/45/51/637134551.db2.gz GRFXCQOWOMTQNJ-GJZGRUSLSA-N 1 3 316.367 2.280 20 0 DEADHO NCC(C[NH3+])NCc1coc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000923359203 637136313 /nfs/dbraw/zinc/13/63/13/637136313.db2.gz NWXOKDQJVITBQT-UHFFFAOYSA-N 1 3 315.204 2.024 20 0 DEADHO [NH3+]C[C@]12CCC[C@H]1CN(C[C@H](O)COc1ccc(Cl)cc1)C2 ZINC000923386299 637155438 /nfs/dbraw/zinc/15/54/38/637155438.db2.gz JELGIOWGSCTEOA-QRTARXTBSA-N 1 3 324.852 2.141 20 0 DEADHO CC(C)(NC[C@@H]1CC2(C[NH2+]C2)CO1)c1nc2ccccc2s1 ZINC000923398680 637158675 /nfs/dbraw/zinc/15/86/75/637158675.db2.gz NDXBCYXFPMNOSZ-LBPRGKRZSA-N 1 3 317.458 2.500 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2ccnnc2)[C@@H](C)C1 ZINC000925077790 637162958 /nfs/dbraw/zinc/16/29/58/637162958.db2.gz IMPHLEZDSITVFN-ZOBUZTSGSA-N 1 3 306.454 2.264 20 0 DEADHO C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CC[C@@H](CC[NH3+])C1 ZINC000923486576 637200618 /nfs/dbraw/zinc/20/06/18/637200618.db2.gz HQHMVKNIISPFCK-UONOGXRCSA-N 1 3 307.413 2.016 20 0 DEADHO CCCC[C@H](C(=O)Nc1cc(C)on1)N1CC[C@H](CC[NH3+])C1 ZINC000923486598 637200750 /nfs/dbraw/zinc/20/07/50/637200750.db2.gz ICSUWVYVLXCNIE-UONOGXRCSA-N 1 3 308.426 2.151 20 0 DEADHO C[C@@H](NC(=O)[C@@H](C)N1CC[C@H](C[NH3+])[C@H](C)C1)c1ccccc1 ZINC000923487765 637201611 /nfs/dbraw/zinc/20/16/11/637201611.db2.gz BLNISIPDVAOYOV-KCYZZUKISA-N 1 3 303.450 2.169 20 0 DEADHO C[C@@H]1CN([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC[C@H]1C[NH3+] ZINC000923497932 637215077 /nfs/dbraw/zinc/21/50/77/637215077.db2.gz NLFPRRUWIQWTOP-DVOMOZLQSA-N 1 3 321.852 2.362 20 0 DEADHO CC1CCC(N(C(=O)CN2CC[C@@H](C[NH3+])[C@H](C)C2)C2CC2)CC1 ZINC000923500924 637217294 /nfs/dbraw/zinc/21/72/94/637217294.db2.gz RZJPIBBMBXPQCK-GMRIPVOYSA-N 1 3 321.509 2.473 20 0 DEADHO C[C@H](C(=O)NCc1ccccc1Cl)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923501015 637217688 /nfs/dbraw/zinc/21/76/88/637217688.db2.gz QTEQIHSJEACVSJ-MCIONIFRSA-N 1 3 323.868 2.261 20 0 DEADHO C[C@@H]1CN(CC(=O)N[C@@H]2CCCc3ccccc32)CC[C@@H]1C[NH3+] ZINC000923504206 637219757 /nfs/dbraw/zinc/21/97/57/637219757.db2.gz PXFOBMADOXXZNJ-QGPMSJSTSA-N 1 3 315.461 2.097 20 0 DEADHO CC1(C)COC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000895252013 637852605 /nfs/dbraw/zinc/85/26/05/637852605.db2.gz RNTAQZKJYIOCPF-QGZVFWFLSA-N 1 3 303.450 2.308 20 0 DEADHO C[N@@H+]1CC[C@@H]2CN(C[C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000895841132 638220290 /nfs/dbraw/zinc/22/02/90/638220290.db2.gz DLJOTAIXANJPDL-WCVJEAGWSA-N 1 3 323.481 2.316 20 0 DEADHO C[N@H+]1CC[C@@H]2CN(C[C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000895841132 638220294 /nfs/dbraw/zinc/22/02/94/638220294.db2.gz DLJOTAIXANJPDL-WCVJEAGWSA-N 1 3 323.481 2.316 20 0 DEADHO COc1ccc(CN2CCC([NH+]3CCN(C)CC3)CC2)c(C)c1 ZINC000895846335 638230958 /nfs/dbraw/zinc/23/09/58/638230958.db2.gz VYRMXIUTNQEHSY-UHFFFAOYSA-N 1 3 317.477 2.215 20 0 DEADHO C[NH+]1CCC(CN[C@H]2CCN(c3c(F)cccc3F)C2=O)CC1 ZINC000895976994 638288172 /nfs/dbraw/zinc/28/81/72/638288172.db2.gz XEZPRKWURCVTRH-HNNXBMFYSA-N 1 3 323.387 2.002 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC000984799761 638693017 /nfs/dbraw/zinc/69/30/17/638693017.db2.gz JVFJLAIZXANEQK-SZMVWBNQSA-N 1 3 319.493 2.456 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H](N)CC3CCCCC3)CC[C@H]21 ZINC000262483174 639280223 /nfs/dbraw/zinc/28/02/23/639280223.db2.gz KCWJLVRMKOSTEW-IXDOHACOSA-N 1 3 307.482 2.227 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H](N)CC3CCCCC3)CC[C@H]21 ZINC000262483174 639280228 /nfs/dbraw/zinc/28/02/28/639280228.db2.gz KCWJLVRMKOSTEW-IXDOHACOSA-N 1 3 307.482 2.227 20 0 DEADHO COC(=O)c1ccccc1CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000897309572 639400283 /nfs/dbraw/zinc/40/02/83/639400283.db2.gz JIZJSUJRPZFAQW-JKSUJKDBSA-N 1 3 302.418 2.232 20 0 DEADHO COC(=O)c1ccccc1CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000897309572 639400287 /nfs/dbraw/zinc/40/02/87/639400287.db2.gz JIZJSUJRPZFAQW-JKSUJKDBSA-N 1 3 302.418 2.232 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccsc2)C1 ZINC001029674668 639411314 /nfs/dbraw/zinc/41/13/14/639411314.db2.gz IDTSNOTZQVKILV-GOEBONIOSA-N 1 3 321.490 2.123 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccsc2)C1 ZINC001029674668 639411316 /nfs/dbraw/zinc/41/13/16/639411316.db2.gz IDTSNOTZQVKILV-GOEBONIOSA-N 1 3 321.490 2.123 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CC(C)(C)C2)C1 ZINC001029674426 639411585 /nfs/dbraw/zinc/41/15/85/639411585.db2.gz GGCLPVPDZLXCCZ-WBVHZDCISA-N 1 3 321.509 2.297 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001029674426 639411587 /nfs/dbraw/zinc/41/15/87/639411587.db2.gz GGCLPVPDZLXCCZ-WBVHZDCISA-N 1 3 321.509 2.297 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC([N@H+](C)CCC3CC3)CC2)C1 ZINC000985652368 639564749 /nfs/dbraw/zinc/56/47/49/639564749.db2.gz FCXFYAWNFRYAEC-HNNXBMFYSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC([N@@H+](C)CCC3CC3)CC2)C1 ZINC000985652368 639564752 /nfs/dbraw/zinc/56/47/52/639564752.db2.gz FCXFYAWNFRYAEC-HNNXBMFYSA-N 1 3 307.482 2.051 20 0 DEADHO C[N@@H+](Cc1ccsc1)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029903957 639754488 /nfs/dbraw/zinc/75/44/88/639754488.db2.gz IZZLDVFBVQSOME-HNNXBMFYSA-N 1 3 321.490 2.124 20 0 DEADHO C[N@H+](Cc1ccsc1)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029903957 639754492 /nfs/dbraw/zinc/75/44/92/639754492.db2.gz IZZLDVFBVQSOME-HNNXBMFYSA-N 1 3 321.490 2.124 20 0 DEADHO C[C@@H]1[C@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987065175 640071630 /nfs/dbraw/zinc/07/16/30/640071630.db2.gz IBSCQZJSQLDJAS-RHSMWYFYSA-N 1 3 316.449 2.422 20 0 DEADHO C[C@H]1CN(C(=O)NC2CCC([NH+]3CCCCC3)CC2)[C@@H](C)CN1 ZINC000841856310 650581588 /nfs/dbraw/zinc/58/15/88/650581588.db2.gz UTCBMBJHQUWTAJ-JUVOFCAFSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1C[N@H+](C[C@@H]2CC2(Cl)Cl)CC[C@H]1N1CCN(C)CC1 ZINC000764470139 640641802 /nfs/dbraw/zinc/64/18/02/640641802.db2.gz TYKPQKVNBVEMEK-HZSPNIEDSA-N 1 3 320.308 2.138 20 0 DEADHO C[C@@H]1C[N@@H+](C[C@@H]2CC2(Cl)Cl)CC[C@H]1N1CCN(C)CC1 ZINC000764470139 640641807 /nfs/dbraw/zinc/64/18/07/640641807.db2.gz TYKPQKVNBVEMEK-HZSPNIEDSA-N 1 3 320.308 2.138 20 0 DEADHO C[C@@H](c1ccccc1)N1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000989665675 641189173 /nfs/dbraw/zinc/18/91/73/641189173.db2.gz KGTVHHAOKRALGE-WMZOPIPTSA-N 1 3 315.461 2.234 20 0 DEADHO C[C@@H](c1ccccc1)N1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989665675 641189175 /nfs/dbraw/zinc/18/91/75/641189175.db2.gz KGTVHHAOKRALGE-WMZOPIPTSA-N 1 3 315.461 2.234 20 0 DEADHO c1cnn(-c2ncccc2CN[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000924640467 641529429 /nfs/dbraw/zinc/52/94/29/641529429.db2.gz LWRASJPFXKCUEG-SJORKVTESA-N 1 3 311.433 2.374 20 0 DEADHO c1cnn(-c2ncccc2CN[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000924640467 641529431 /nfs/dbraw/zinc/52/94/31/641529431.db2.gz LWRASJPFXKCUEG-SJORKVTESA-N 1 3 311.433 2.374 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cccc3c2OCO3)CC1 ZINC000924661573 641552503 /nfs/dbraw/zinc/55/25/03/641552503.db2.gz NQXUXTNBXSWJKN-HNNXBMFYSA-N 1 3 319.449 2.094 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C\C=C(Cl)Cl ZINC000898584592 641717391 /nfs/dbraw/zinc/71/73/91/641717391.db2.gz GWPHSBYEWMXNRS-JECSTDCCSA-N 1 3 322.280 2.250 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C\C=C(Cl)Cl ZINC000898584592 641717393 /nfs/dbraw/zinc/71/73/93/641717393.db2.gz GWPHSBYEWMXNRS-JECSTDCCSA-N 1 3 322.280 2.250 20 0 DEADHO CCC1([NH+]2CCC2)CCN(C(=O)[C@@H]2CCN2C2CCCC2)CC1 ZINC000899554125 642103785 /nfs/dbraw/zinc/10/37/85/642103785.db2.gz YKYRPDWKXXRFAW-KRWDZBQOSA-N 1 3 319.493 2.480 20 0 DEADHO C[C@H]1CN(C(=O)Nc2cccc(CN(C)C)c2)CC[C@@H]1C[NH3+] ZINC000900473367 642387829 /nfs/dbraw/zinc/38/78/29/642387829.db2.gz CRJRQGHUYKCKEV-DZGCQCFKSA-N 1 3 304.438 2.197 20 0 DEADHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CCCSC3)cc2)CC1 ZINC000783504959 643011908 /nfs/dbraw/zinc/01/19/08/643011908.db2.gz PIYBXWOUVRSWJR-SFHVURJKSA-N 1 3 319.518 2.419 20 0 DEADHO Cn1c(=O)ccc2c1CCC[C@H]2N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902392099 643028230 /nfs/dbraw/zinc/02/82/30/643028230.db2.gz KEITVHZQMJWDID-UKRRQHHQSA-N 1 3 303.450 2.131 20 0 DEADHO Fc1ccc(N2CCC([NH2+][C@@H]3C[C@@H]4CC[C@H]3N4)CC2)c(F)c1 ZINC000902465918 643049510 /nfs/dbraw/zinc/04/95/10/643049510.db2.gz HEZQTMWHSYPRAJ-NUEKZKHPSA-N 1 3 307.388 2.416 20 0 DEADHO CC[NH+](CC)CCOC(=O)CCN1CCc2ccccc2C1 ZINC000786813823 643412813 /nfs/dbraw/zinc/41/28/13/643412813.db2.gz ALOPQOQTJNDFTF-UHFFFAOYSA-N 1 3 304.434 2.320 20 0 DEADHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786838995 643416298 /nfs/dbraw/zinc/41/62/98/643416298.db2.gz PLAZXQOBQWGVAC-CABCVRRESA-N 1 3 316.449 2.209 20 0 DEADHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786838995 643416303 /nfs/dbraw/zinc/41/63/03/643416303.db2.gz PLAZXQOBQWGVAC-CABCVRRESA-N 1 3 316.449 2.209 20 0 DEADHO COc1ccc(CN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C2CC2)cc1 ZINC000903718640 643437774 /nfs/dbraw/zinc/43/77/74/643437774.db2.gz QCCLQAILTPDNPY-RTBURBONSA-N 1 3 316.445 2.428 20 0 DEADHO CN(CCOc1cccc(Cl)c1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718436 643437973 /nfs/dbraw/zinc/43/79/73/643437973.db2.gz MLJFSNQTEMGGCV-SJORKVTESA-N 1 3 324.852 2.419 20 0 DEADHO C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CCNCCC12CCOCC2 ZINC000903814479 643471658 /nfs/dbraw/zinc/47/16/58/643471658.db2.gz DVLWRKLBHSCKKS-IAGOWNOFSA-N 1 3 310.482 2.426 20 0 DEADHO C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCNCCC12CCOCC2 ZINC000903814479 643471660 /nfs/dbraw/zinc/47/16/60/643471660.db2.gz DVLWRKLBHSCKKS-IAGOWNOFSA-N 1 3 310.482 2.426 20 0 DEADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N([C@H]1CCCN(c3cccc(F)c3)C1=O)C2 ZINC000903843642 643481397 /nfs/dbraw/zinc/48/13/97/643481397.db2.gz OXOWFDKDOFRBJO-CSFVBSKPSA-N 1 3 317.408 2.133 20 0 DEADHO COC(=O)c1ccc(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1C ZINC000904374497 643649814 /nfs/dbraw/zinc/64/98/14/643649814.db2.gz RXXUAWXFXIKHFA-YJBOKZPZSA-N 1 3 302.418 2.342 20 0 DEADHO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1cnc(C3CC3)s1)CC2 ZINC000904392697 643652405 /nfs/dbraw/zinc/65/24/05/643652405.db2.gz XOWMNBHODWGMLQ-ZDUSSCGKSA-N 1 3 307.463 2.350 20 0 DEADHO CC(C)(C)CC[C@@H]([NH3+])CN1CCC[C@@H](N2CCOCC2)CC1 ZINC000904376559 643654244 /nfs/dbraw/zinc/65/42/44/643654244.db2.gz BVQCBFWCDOUWOL-IAGOWNOFSA-N 1 3 311.514 2.327 20 0 DEADHO COc1cc(OC)c(OC)cc1CN1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904410090 643660797 /nfs/dbraw/zinc/66/07/97/643660797.db2.gz AISUPONRMNKNTJ-CHWSQXEVSA-N 1 3 308.422 2.129 20 0 DEADHO C[C@H](CNC[C@@H](O)CC[C@@H](O)c1ccccc1)C[NH+]1CCCC1 ZINC000905054901 643773658 /nfs/dbraw/zinc/77/36/58/643773658.db2.gz LAWORCGUIRSNDQ-NZSAHSFTSA-N 1 3 320.477 2.183 20 0 DEADHO CC(C)C[NH+]1CCC(NC[C@@H](O)CC2(CO)CCCC2)CC1 ZINC000905066111 643785482 /nfs/dbraw/zinc/78/54/82/643785482.db2.gz NKXZGPCHJJBKOW-KRWDZBQOSA-N 1 3 312.498 2.000 20 0 DEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000905152951 643800581 /nfs/dbraw/zinc/80/05/81/643800581.db2.gz DSVBBKLDHQPQEY-GMTAPVOTSA-N 1 3 318.330 2.397 20 0 DEADHO C[C@H](CCNC[C@@H](O)CC1(CO)CCCC1)[NH+]1CCCCC1 ZINC000905208061 643832194 /nfs/dbraw/zinc/83/21/94/643832194.db2.gz IZXGZPYQOHLVCQ-SJORKVTESA-N 1 3 312.498 2.144 20 0 DEADHO C[C@H](CC[NH2+]C[C@@H](O)CC1(CO)CCCC1)N1CCCCC1 ZINC000905208061 643832199 /nfs/dbraw/zinc/83/21/99/643832199.db2.gz IZXGZPYQOHLVCQ-SJORKVTESA-N 1 3 312.498 2.144 20 0 DEADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)NC1CCCCCCC1 ZINC000843363485 650957859 /nfs/dbraw/zinc/95/78/59/650957859.db2.gz MJGIREHYLODPGR-UHFFFAOYSA-N 1 3 307.482 2.291 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000843458815 650979671 /nfs/dbraw/zinc/97/96/71/650979671.db2.gz IUVJVFZREPBKOH-MRXNPFEDSA-N 1 3 319.453 2.044 20 0 DEADHO CC(C)(C)[C@H]([NH3+])CC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000323750126 645397849 /nfs/dbraw/zinc/39/78/49/645397849.db2.gz SFICAFHTCQOONL-QGZVFWFLSA-N 1 3 317.477 2.484 20 0 DEADHO CN(CCSC(C)(C)C)CC[N@H+](C)C1CCN(C)CC1 ZINC000801936347 645465494 /nfs/dbraw/zinc/46/54/94/645465494.db2.gz NIQRVGFDOMIJKV-UHFFFAOYSA-N 1 3 301.544 2.476 20 0 DEADHO CN(CCSC(C)(C)C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000801936347 645465498 /nfs/dbraw/zinc/46/54/98/645465498.db2.gz NIQRVGFDOMIJKV-UHFFFAOYSA-N 1 3 301.544 2.476 20 0 DEADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000911202059 645650522 /nfs/dbraw/zinc/65/05/22/645650522.db2.gz UNZGJFROCZATEN-MRXNPFEDSA-N 1 3 314.433 2.457 20 0 DEADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000911202059 645650526 /nfs/dbraw/zinc/65/05/26/645650526.db2.gz UNZGJFROCZATEN-MRXNPFEDSA-N 1 3 314.433 2.457 20 0 DEADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000912064790 645923314 /nfs/dbraw/zinc/92/33/14/645923314.db2.gz GFQHUXTXPMAXNW-HZMVEIRTSA-N 1 3 305.466 2.136 20 0 DEADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000912064790 645923316 /nfs/dbraw/zinc/92/33/16/645923316.db2.gz GFQHUXTXPMAXNW-HZMVEIRTSA-N 1 3 305.466 2.136 20 0 DEADHO C[C@H](CCNC(=O)c1ccc(NC2=NCCC2)cc1)[NH+](C)C ZINC000912394552 646054765 /nfs/dbraw/zinc/05/47/65/646054765.db2.gz TYOVPQODFKEAMF-CYBMUJFWSA-N 1 3 302.422 2.361 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810281566 646347095 /nfs/dbraw/zinc/34/70/95/646347095.db2.gz BIJSVNIGHZJDKQ-RHSMWYFYSA-N 1 3 313.461 2.188 20 0 DEADHO CCCC[N@H+](C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810393470 646359216 /nfs/dbraw/zinc/35/92/16/646359216.db2.gz RUMSFIKLBPSEPB-MRXNPFEDSA-N 1 3 301.450 2.047 20 0 DEADHO CCCC[N@@H+](C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810393470 646359222 /nfs/dbraw/zinc/35/92/22/646359222.db2.gz RUMSFIKLBPSEPB-MRXNPFEDSA-N 1 3 301.450 2.047 20 0 DEADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCCc2cnn(C)n2)CC1 ZINC000815638785 647037784 /nfs/dbraw/zinc/03/77/84/647037784.db2.gz FKWPGNYTQNXXEK-QAPCUYQASA-N 1 3 319.497 2.380 20 0 DEADHO CC(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]21 ZINC000992709163 647191673 /nfs/dbraw/zinc/19/16/73/647191673.db2.gz HPZUAOIZBGNLMQ-IXDOHACOSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]21 ZINC000992820654 647280347 /nfs/dbraw/zinc/28/03/47/647280347.db2.gz UDWWTMFCKXGCTL-BRWVUGGUSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[NH2+][C@H]1CCC[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]21 ZINC000992860848 647309226 /nfs/dbraw/zinc/30/92/26/647309226.db2.gz OHZJCUWXFRRNFP-BZSNNMDCSA-N 1 3 321.509 2.343 20 0 DEADHO COc1cc(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])ccc1OC(C)C ZINC000817900577 647377021 /nfs/dbraw/zinc/37/70/21/647377021.db2.gz NSMHYYVQQXXGJP-VNQPRFMTSA-N 1 3 322.449 2.324 20 0 DEADHO [NH3+]C[C@H]1CCC[C@@H]1NC[C@H](O)c1cccc(Br)c1 ZINC000817932718 647385987 /nfs/dbraw/zinc/38/59/87/647385987.db2.gz WWSVFQDPISJFTR-XBFCOCLRSA-N 1 3 313.239 2.200 20 0 DEADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(N2CCNC2=O)cc1 ZINC000817970137 647396881 /nfs/dbraw/zinc/39/68/81/647396881.db2.gz MJSOPNDQBSMPGD-CFVMTHIKSA-N 1 3 302.422 2.137 20 0 DEADHO CC[NH+]1CCC(NCCC(=O)Nc2ccc(N(C)C)cc2)CC1 ZINC000818941402 647544167 /nfs/dbraw/zinc/54/41/67/647544167.db2.gz UVFMKQBHBWAEGU-UHFFFAOYSA-N 1 3 318.465 2.155 20 0 DEADHO c1cc(CN2CCC(N[C@H]3CC[NH2+]C34CCCC4)CC2)ccn1 ZINC000925477646 648204467 /nfs/dbraw/zinc/20/44/67/648204467.db2.gz FYSYMBGTMGQRLX-SFHVURJKSA-N 1 3 314.477 2.310 20 0 DEADHO CC(C)C[NH2+][C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC000939806329 648728732 /nfs/dbraw/zinc/72/87/32/648728732.db2.gz GSHXIOMBNCJWAE-CRAIPNDOSA-N 1 3 317.477 2.454 20 0 DEADHO Cc1ccccc1CN1CCCN(C(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000826989103 648956693 /nfs/dbraw/zinc/95/66/93/648956693.db2.gz CNNICWAGLFKZST-GOSISDBHSA-N 1 3 315.461 2.157 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000827548973 649050088 /nfs/dbraw/zinc/05/00/88/649050088.db2.gz UIHSHEYEELWTOP-SZMVWBNQSA-N 1 3 315.461 2.470 20 0 DEADHO C[C@H]1C[N@H+](CC2CC2)CC[C@@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC000942052088 649143207 /nfs/dbraw/zinc/14/32/07/649143207.db2.gz CDGAIPLZKMDYQZ-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1C[N@@H+](CC2CC2)CC[C@@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC000942052088 649143211 /nfs/dbraw/zinc/14/32/11/649143211.db2.gz CDGAIPLZKMDYQZ-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1C[N@H+](CC2CCC2)CC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942558513 649244426 /nfs/dbraw/zinc/24/44/26/649244426.db2.gz XRIYWWKNIWTMEW-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1C[N@@H+](CC2CCC2)CC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942558513 649244427 /nfs/dbraw/zinc/24/44/27/649244427.db2.gz XRIYWWKNIWTMEW-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc(N2CCNC2=O)cc1 ZINC000829747219 649350092 /nfs/dbraw/zinc/35/00/92/649350092.db2.gz VUBGDAOTIGUEFQ-ZBFHGGJFSA-N 1 3 316.449 2.351 20 0 DEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)CCCCC[NH3+])CC1 ZINC000831431355 649591102 /nfs/dbraw/zinc/59/11/02/649591102.db2.gz GMHKURWXSMZQHG-HNNXBMFYSA-N 1 3 318.465 2.242 20 0 DEADHO C[C@@H]([NH2+]C1CC1)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000831827443 649647249 /nfs/dbraw/zinc/64/72/49/649647249.db2.gz MOQAVPFLVGTIRT-CRAIPNDOSA-N 1 3 315.461 2.470 20 0 DEADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)[C@]1(F)CC[NH2+]C1 ZINC000831827709 649647315 /nfs/dbraw/zinc/64/73/15/649647315.db2.gz UGTRHLICVYONNU-WMZOPIPTSA-N 1 3 319.424 2.031 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000844198228 651090566 /nfs/dbraw/zinc/09/05/66/651090566.db2.gz GHAXSGIEGSNKHK-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO CC[NH+](CC)CC1CCN(C[C@@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844279239 651103198 /nfs/dbraw/zinc/10/31/98/651103198.db2.gz RSBXGBDPWADCIY-MRXNPFEDSA-N 1 3 309.454 2.023 20 0 DEADHO COc1ccc(CN2CCN(CCCCCC[NH3+])CC2)cc1F ZINC000846222713 651316321 /nfs/dbraw/zinc/31/63/21/651316321.db2.gz XVCBPGKWCPYKMH-UHFFFAOYSA-N 1 3 323.456 2.471 20 0 DEADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc3nonc3c2)C1 ZINC000846811985 651353937 /nfs/dbraw/zinc/35/39/37/651353937.db2.gz QWGUSWKKZGQCSH-OAHLLOKOSA-N 1 3 318.421 2.156 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000847333252 651389851 /nfs/dbraw/zinc/38/98/51/651389851.db2.gz XLHIXXCATIFESU-CVEARBPZSA-N 1 3 324.513 2.375 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NCCC3CCC3)CC2)CC1 ZINC000847563938 651402920 /nfs/dbraw/zinc/40/29/20/651402920.db2.gz XUTLOTVEIBOZGE-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H](O)c1ccc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000848527245 651467392 /nfs/dbraw/zinc/46/73/92/651467392.db2.gz WGEWXWJAFKQYQS-DNVCBOLYSA-N 1 3 318.461 2.473 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000849019693 651585105 /nfs/dbraw/zinc/58/51/05/651585105.db2.gz ZGCMFIVVIWCUHV-RBSFLKMASA-N 1 3 310.486 2.177 20 0 DEADHO CCc1ccc(NC(=[NH2+])NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000849026609 651587166 /nfs/dbraw/zinc/58/71/66/651587166.db2.gz LRFQGKQSKOOWFX-UHFFFAOYSA-N 1 3 317.481 2.211 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(COC)CCCCC1 ZINC000849029803 651588816 /nfs/dbraw/zinc/58/88/16/651588816.db2.gz NOJLQTDARCMOKB-OAHLLOKOSA-N 1 3 310.486 2.182 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]Cc2cn(C)nc2Cl)C[C@@H](C)O1 ZINC000856770626 651978237 /nfs/dbraw/zinc/97/82/37/651978237.db2.gz WXHNZLVCVMUNTP-CHWSQXEVSA-N 1 3 314.861 2.053 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC001390069399 1155518859 /nfs/dbraw/zinc/51/88/59/1155518859.db2.gz WKTBKYKBLLYSQD-CYBMUJFWSA-N 1 3 323.403 2.109 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000857768274 652173977 /nfs/dbraw/zinc/17/39/77/652173977.db2.gz OELKTFUXHKFHIT-SFHVURJKSA-N 1 3 316.449 2.356 20 0 DEADHO NC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)nc1)C1CCCCC1 ZINC000852749879 652448710 /nfs/dbraw/zinc/44/87/10/652448710.db2.gz IPNYBMJPIUKAFK-ZDUSSCGKSA-N 1 3 310.829 2.171 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](C)Cc1cc(C)cc(C)c1)N(C)C ZINC001390817705 1155881894 /nfs/dbraw/zinc/88/18/94/1155881894.db2.gz MPGPSJQHKOAZMV-KRWDZBQOSA-N 1 3 305.466 2.192 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](C)Cc1cc(C)cc(C)c1)N(C)C ZINC001390817705 1155881899 /nfs/dbraw/zinc/88/18/99/1155881899.db2.gz MPGPSJQHKOAZMV-KRWDZBQOSA-N 1 3 305.466 2.192 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC(C)C)C1 ZINC001391364649 1156360156 /nfs/dbraw/zinc/36/01/56/1156360156.db2.gz YZWHRUUSBCXJNN-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC(C)C)C1 ZINC001391364649 1156360160 /nfs/dbraw/zinc/36/01/60/1156360160.db2.gz YZWHRUUSBCXJNN-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[C@H]1CC[N@H+](CCCF)C1 ZINC001373248771 1156898880 /nfs/dbraw/zinc/89/88/80/1156898880.db2.gz USLZPTVEFLCTEY-JKSUJKDBSA-N 1 3 313.461 2.049 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[C@H]1CC[N@@H+](CCCF)C1 ZINC001373248771 1156898883 /nfs/dbraw/zinc/89/88/83/1156898883.db2.gz USLZPTVEFLCTEY-JKSUJKDBSA-N 1 3 313.461 2.049 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC(CC[N@H+](C)CCCF)CC1 ZINC001374406342 1157842669 /nfs/dbraw/zinc/84/26/69/1157842669.db2.gz SEPDTPFCVYHGAG-UHFFFAOYSA-N 1 3 315.477 2.247 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC(CC[N@@H+](C)CCCF)CC1 ZINC001374406342 1157842671 /nfs/dbraw/zinc/84/26/71/1157842671.db2.gz SEPDTPFCVYHGAG-UHFFFAOYSA-N 1 3 315.477 2.247 20 0 DEADHO [NH3+][C@H](CC1CC1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000390140342 685437812 /nfs/dbraw/zinc/43/78/12/685437812.db2.gz SYQCUAVILYZOSM-IAGOWNOFSA-N 1 3 301.434 2.067 20 0 DEADHO N[C@H](CC1CC1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000390140342 685437814 /nfs/dbraw/zinc/43/78/14/685437814.db2.gz SYQCUAVILYZOSM-IAGOWNOFSA-N 1 3 301.434 2.067 20 0 DEADHO c1ccc(CN2CCC[C@@H]2CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1 ZINC000390554470 685440749 /nfs/dbraw/zinc/44/07/49/685440749.db2.gz FZMGKWCLEKHKCM-IEJRGFGGSA-N 1 3 311.473 2.237 20 0 DEADHO CN(C)C1(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CCC1 ZINC000120124390 684092406 /nfs/dbraw/zinc/09/24/06/684092406.db2.gz PLSJSOKEDCRIJR-UHFFFAOYSA-N 1 3 307.482 2.384 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](CC3CC3)C2)C1)N(C)C ZINC001054154212 693865376 /nfs/dbraw/zinc/86/53/76/693865376.db2.gz RPTUIUZTBDXCMF-AEFFLSMTSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CC3CC3)C2)C1)N(C)C ZINC001054154212 693865377 /nfs/dbraw/zinc/86/53/77/693865377.db2.gz RPTUIUZTBDXCMF-AEFFLSMTSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001054174524 693871358 /nfs/dbraw/zinc/87/13/58/693871358.db2.gz SPEBXMVHFUUWHY-GOSISDBHSA-N 1 3 307.482 2.195 20 0 DEADHO CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001054174524 693871360 /nfs/dbraw/zinc/87/13/60/693871360.db2.gz SPEBXMVHFUUWHY-GOSISDBHSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)C[NH2+][C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001054646803 694014454 /nfs/dbraw/zinc/01/44/54/694014454.db2.gz DQLCCDGQIBCCRP-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[NH2+][C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001054646805 694014623 /nfs/dbraw/zinc/01/46/23/694014623.db2.gz DQLCCDGQIBCCRP-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1c([C@@H](C)NCCOCCC[NH3+])cnn1-c1ccccc1 ZINC000863548547 686519925 /nfs/dbraw/zinc/51/99/25/686519925.db2.gz ZGFHNVJCYQQOSJ-CQSZACIVSA-N 1 3 302.422 2.197 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000863653232 686540602 /nfs/dbraw/zinc/54/06/02/686540602.db2.gz GCMQXLLFOZJSNC-BLLLJJGKSA-N 1 3 321.852 2.114 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]Cc1ccsc1 ZINC001054741665 694036694 /nfs/dbraw/zinc/03/66/94/694036694.db2.gz ZPUNHEXGKRALIO-XJKSGUPXSA-N 1 3 321.490 2.169 20 0 DEADHO C[C@@H](CNC(=[NH2+])Nc1ccc(CCO)cc1)N1CCCC[C@H]1C ZINC000864452851 686725260 /nfs/dbraw/zinc/72/52/60/686725260.db2.gz KHSGXFBWXMHJGE-CABCVRRESA-N 1 3 318.465 2.421 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@]34C[C@H]3CCCC4)CC2)CC1 ZINC000865064031 686930198 /nfs/dbraw/zinc/93/01/98/686930198.db2.gz LCOVEXAVPVCWCM-DNVCBOLYSA-N 1 3 319.493 2.242 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)C1CC[NH+](CCCF)CC1)N(C)C ZINC001394839737 1158809236 /nfs/dbraw/zinc/80/92/36/1158809236.db2.gz AAGDVTLXCUXNGD-ZBFHGGJFSA-N 1 3 315.477 2.149 20 0 DEADHO C[NH+](C)CCCCNCc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000865435649 687209883 /nfs/dbraw/zinc/20/98/83/687209883.db2.gz MLLGIULCWMXGTL-UHFFFAOYSA-N 1 3 323.441 2.255 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CC1)CC2 ZINC001016652141 687675037 /nfs/dbraw/zinc/67/50/37/687675037.db2.gz OZBLOQOUPBMNNM-SJORKVTESA-N 1 3 319.493 2.242 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC2CCC2)C1)N(C)C ZINC001017151616 687805189 /nfs/dbraw/zinc/80/51/89/687805189.db2.gz GTWUJRKVJADOTR-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCC2)C1)N(C)C ZINC001017151616 687805192 /nfs/dbraw/zinc/80/51/92/687805192.db2.gz GTWUJRKVJADOTR-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CC1CCN(CC(=O)N2CCC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC001017240323 687839804 /nfs/dbraw/zinc/83/98/04/687839804.db2.gz NCYWMTFBVJFGPC-SFHVURJKSA-N 1 3 321.509 2.299 20 0 DEADHO CC1CCN(CC(=O)N2CCC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC001017240323 687839808 /nfs/dbraw/zinc/83/98/08/687839808.db2.gz NCYWMTFBVJFGPC-SFHVURJKSA-N 1 3 321.509 2.299 20 0 DEADHO CCN1CCCN(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868185799 687939952 /nfs/dbraw/zinc/93/99/52/687939952.db2.gz BYJOONCCMPRMEP-JKSUJKDBSA-N 1 3 302.422 2.061 20 0 DEADHO Cc1cc(C)cc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c1 ZINC001018617954 688186657 /nfs/dbraw/zinc/18/66/57/688186657.db2.gz ZHFISYBQMKTUIV-ROUUACIJSA-N 1 3 315.461 2.088 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCc2ccc(C)cc2)C1)N(C)C ZINC001019034735 688274860 /nfs/dbraw/zinc/27/48/60/688274860.db2.gz MVHAUDCWELHHPV-ZWKOTPCHSA-N 1 3 317.477 2.068 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCc2cccs2)C1)N(C)C ZINC001019337749 688332501 /nfs/dbraw/zinc/33/25/01/688332501.db2.gz YNMSNJKOJQBMIG-GOEBONIOSA-N 1 3 323.506 2.067 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001019438584 688356785 /nfs/dbraw/zinc/35/67/85/688356785.db2.gz PDSCEAHQDSKLRF-HNNXBMFYSA-N 1 3 302.422 2.033 20 0 DEADHO COC(=O)[C@@H]1CCCC[C@H]1CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000930602225 694198027 /nfs/dbraw/zinc/19/80/27/694198027.db2.gz NLJCOTLLHDIUOM-JZXOWHBKSA-N 1 3 308.466 2.384 20 0 DEADHO COC(=O)[C@@H]1CCCC[C@H]1CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000930602225 694198030 /nfs/dbraw/zinc/19/80/30/694198030.db2.gz NLJCOTLLHDIUOM-JZXOWHBKSA-N 1 3 308.466 2.384 20 0 DEADHO CCN1CCC([N@@H+]2CCCN(Cc3[nH]c(C)nc3C)CC2)CC1 ZINC000930753011 694233370 /nfs/dbraw/zinc/23/33/70/694233370.db2.gz YVNJLIQHMOZNHQ-UHFFFAOYSA-N 1 3 319.497 2.019 20 0 DEADHO CCN1CCC([N@H+]2CCCN(Cc3[nH]c(C)nc3C)CC2)CC1 ZINC000930753011 694233371 /nfs/dbraw/zinc/23/33/71/694233371.db2.gz YVNJLIQHMOZNHQ-UHFFFAOYSA-N 1 3 319.497 2.019 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000871765517 688863101 /nfs/dbraw/zinc/86/31/01/688863101.db2.gz YQVBHQOAUZTLPJ-IRXDYDNUSA-N 1 3 316.449 2.449 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC000871765517 688863107 /nfs/dbraw/zinc/86/31/07/688863107.db2.gz YQVBHQOAUZTLPJ-IRXDYDNUSA-N 1 3 316.449 2.449 20 0 DEADHO c1ccc2c(c1)CN[C@@H]2Cc1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871800765 688872642 /nfs/dbraw/zinc/87/26/42/688872642.db2.gz STFCQDUSCANQMA-NQKGRLOXSA-N 1 3 310.401 2.455 20 0 DEADHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1cc(O)ccc1F ZINC000872040873 688917640 /nfs/dbraw/zinc/91/76/40/688917640.db2.gz NWJXEZOHFDSNIB-CYBMUJFWSA-N 1 3 309.429 2.208 20 0 DEADHO CC(C)n1nccc1NC(=O)[C@@H](C)N(C)CCCCCC[NH3+] ZINC000872155309 688940294 /nfs/dbraw/zinc/94/02/94/688940294.db2.gz HMEMGPAVKBMALN-CQSZACIVSA-N 1 3 309.458 2.242 20 0 DEADHO [NH3+][C@H](C[C@H]1CCCN(CC(=O)NCC2CC2)C1)C1CCCC1 ZINC000872158690 688940990 /nfs/dbraw/zinc/94/09/90/688940990.db2.gz XAGVLQZQWRSPLC-NVXWUHKLSA-N 1 3 307.482 2.132 20 0 DEADHO CC(C)OC[C@@H](O)C[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000872218396 688955850 /nfs/dbraw/zinc/95/58/50/688955850.db2.gz NIFKNXAJBWHOMZ-NEWSRXKRSA-N 1 3 320.477 2.130 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)NCC1C[NH+](CC2CCC2)C1 ZINC001032119220 689066953 /nfs/dbraw/zinc/06/69/53/689066953.db2.gz IUXNNTSMMLZBCY-SFHVURJKSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)=CCN1CC(CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001032204928 689083159 /nfs/dbraw/zinc/08/31/59/689083159.db2.gz JLMWYRFTPIZEHP-UHFFFAOYSA-N 1 3 315.461 2.376 20 0 DEADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001032445652 689153439 /nfs/dbraw/zinc/15/34/39/689153439.db2.gz NQYVIUBIQYNRGB-IKGGRYGDSA-N 1 3 307.482 2.190 20 0 DEADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001032445652 689153442 /nfs/dbraw/zinc/15/34/42/689153442.db2.gz NQYVIUBIQYNRGB-IKGGRYGDSA-N 1 3 307.482 2.190 20 0 DEADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001032492869 689166628 /nfs/dbraw/zinc/16/66/28/689166628.db2.gz BKVKLXGJCZFWMS-YESZJQIVSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001032492869 689166630 /nfs/dbraw/zinc/16/66/30/689166630.db2.gz BKVKLXGJCZFWMS-YESZJQIVSA-N 1 3 307.482 2.048 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000873251337 689194364 /nfs/dbraw/zinc/19/43/64/689194364.db2.gz WAYAXTMESUXAEW-OTRWWLKZSA-N 1 3 322.474 2.098 20 0 DEADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000873251337 689194366 /nfs/dbraw/zinc/19/43/66/689194366.db2.gz WAYAXTMESUXAEW-OTRWWLKZSA-N 1 3 322.474 2.098 20 0 DEADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H]1Cc2ccccc2CN1 ZINC000873296663 689204747 /nfs/dbraw/zinc/20/47/47/689204747.db2.gz KYVFMXAODUPFPW-RYGJVYDSSA-N 1 3 309.457 2.249 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001033295575 689451938 /nfs/dbraw/zinc/45/19/38/689451938.db2.gz MISRIKRUGLWROF-IAGOWNOFSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001033295575 689451940 /nfs/dbraw/zinc/45/19/40/689451940.db2.gz MISRIKRUGLWROF-IAGOWNOFSA-N 1 3 307.482 2.050 20 0 DEADHO CN(C(=O)NC1CCC(C)([NH+](C)C)CC1)[C@@H]1CCN(C2CC2)C1 ZINC000876110667 689763655 /nfs/dbraw/zinc/76/36/55/689763655.db2.gz HACVISHASBUXJS-BFHRDPOASA-N 1 3 322.497 2.127 20 0 DEADHO CC[N@@H+]1CCCC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034396444 689834272 /nfs/dbraw/zinc/83/42/72/689834272.db2.gz GIBUDERIUANPQW-PBHICJAKSA-N 1 3 313.461 2.190 20 0 DEADHO CC[N@H+]1CCCC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034396444 689834276 /nfs/dbraw/zinc/83/42/76/689834276.db2.gz GIBUDERIUANPQW-PBHICJAKSA-N 1 3 313.461 2.190 20 0 DEADHO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000876709393 689911454 /nfs/dbraw/zinc/91/14/54/689911454.db2.gz QPBMSLIXXKUSKY-KCQAQPDRSA-N 1 3 321.490 2.375 20 0 DEADHO Cc1ccc([C@H](CNC(=O)/C=C/[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000876731163 689919315 /nfs/dbraw/zinc/91/93/15/689919315.db2.gz FWLFZVVJUXSTCC-KDALUPEMSA-N 1 3 315.461 2.270 20 0 DEADHO CC(C)CC[C@@H](N)C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000876753686 689927058 /nfs/dbraw/zinc/92/70/58/689927058.db2.gz NCMPVKWXIKPXJK-QGZVFWFLSA-N 1 3 321.465 2.353 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000877030549 690001929 /nfs/dbraw/zinc/00/19/29/690001929.db2.gz IIZNBVRJXDGVBO-GARXJVFOSA-N 1 3 313.445 2.127 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1)N(C)C ZINC001034974897 690002773 /nfs/dbraw/zinc/00/27/73/690002773.db2.gz LJPORYUBODUXEB-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC1CC(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001035048843 690020861 /nfs/dbraw/zinc/02/08/61/690020861.db2.gz ZAKGHCYKYCFELD-OFLPRAFFSA-N 1 3 321.509 2.345 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3C[C@@H]([NH3+])C3(C)C)C2)cc1 ZINC000877220744 690048918 /nfs/dbraw/zinc/04/89/18/690048918.db2.gz IKRHYWXWWRTIFL-YESZJQIVSA-N 1 3 315.461 2.059 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)c3cccc(C[NH3+])c3)C2)cc1 ZINC000877220880 690048999 /nfs/dbraw/zinc/04/89/99/690048999.db2.gz LLNMWXOELMPMHV-IBGZPJMESA-N 1 3 323.440 2.458 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1)N(C)C ZINC000877444763 690115139 /nfs/dbraw/zinc/11/51/39/690115139.db2.gz PNVFHHMKVZAVJF-USXIJHARSA-N 1 3 309.498 2.473 20 0 DEADHO CC[C@H](C(=O)N1CCC2(C[NH+](CC=C(C)C)C2)CC1)N(C)C ZINC001035732349 690163063 /nfs/dbraw/zinc/16/30/63/690163063.db2.gz ZVJDLJTZWFDXRL-MRXNPFEDSA-N 1 3 307.482 2.217 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC2(C[NH+](CCC3CC3)C2)CC1 ZINC001035798041 690178843 /nfs/dbraw/zinc/17/88/43/690178843.db2.gz KJLRCBXNWRKPAB-MRXNPFEDSA-N 1 3 319.493 2.195 20 0 DEADHO COCCN(Cc1ccc(F)nc1C)CC1CC[NH+](C)CC1 ZINC000877663790 690182937 /nfs/dbraw/zinc/18/29/37/690182937.db2.gz AOTFDLLNKXYDIT-UHFFFAOYSA-N 1 3 309.429 2.319 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(C[NH+](CC3CC3)C2)CC1 ZINC001035858765 690195564 /nfs/dbraw/zinc/19/55/64/690195564.db2.gz ZCDYCWYTUIBZPG-QGZVFWFLSA-N 1 3 319.493 2.195 20 0 DEADHO COCc1ccc(CN2CCC([NH+]3CCN(C)CC3)CC2)cc1 ZINC000877747631 690214702 /nfs/dbraw/zinc/21/47/02/690214702.db2.gz VKKXPWOYMMBZNX-UHFFFAOYSA-N 1 3 317.477 2.045 20 0 DEADHO CC(C)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001036181798 690283993 /nfs/dbraw/zinc/28/39/93/690283993.db2.gz JKWZLWCUNKLQAM-CVEARBPZSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)CN(CC(=O)NC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000878009702 690284380 /nfs/dbraw/zinc/28/43/80/690284380.db2.gz BLZHPEWGTMOXQC-UHFFFAOYSA-N 1 3 317.477 2.355 20 0 DEADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]Cc1ccsc1 ZINC001036206612 690291055 /nfs/dbraw/zinc/29/10/55/690291055.db2.gz REHOTFHCVNEBGN-SWLSCSKDSA-N 1 3 318.446 2.041 20 0 DEADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@@H]1[NH2+]CCF ZINC001036302612 690315434 /nfs/dbraw/zinc/31/54/34/690315434.db2.gz JSZYKPPSFKOORI-PBHICJAKSA-N 1 3 321.440 2.158 20 0 DEADHO CN1CCCC[C@H]1CC[N@H+](C)CCc1ccc(C(N)=O)cc1 ZINC000878136297 690321717 /nfs/dbraw/zinc/32/17/17/690321717.db2.gz VPFKUYGJRGOBRC-KRWDZBQOSA-N 1 3 303.450 2.134 20 0 DEADHO CN1CCCC[C@H]1CC[N@@H+](C)CCc1ccc(C(N)=O)cc1 ZINC000878136297 690321721 /nfs/dbraw/zinc/32/17/21/690321721.db2.gz VPFKUYGJRGOBRC-KRWDZBQOSA-N 1 3 303.450 2.134 20 0 DEADHO CCC[C@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccccc1 ZINC000878346676 690384844 /nfs/dbraw/zinc/38/48/44/690384844.db2.gz NUCBRBSEVDXWKB-KRWDZBQOSA-N 1 3 303.450 2.328 20 0 DEADHO C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)[C@@H]1C[NH2+]CC1CC1 ZINC001036556920 690385597 /nfs/dbraw/zinc/38/55/97/690385597.db2.gz UFZDBSYLNVCTPI-RHSMWYFYSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1ccccc1[C@H](NCC(=O)NC1CC[NH+](C)CC1)C1CC1 ZINC000878378944 690391057 /nfs/dbraw/zinc/39/10/57/690391057.db2.gz QWIHZVZCVALHTJ-LJQANCHMSA-N 1 3 315.461 2.246 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)CC[C@H]21 ZINC001036736468 690453028 /nfs/dbraw/zinc/45/30/28/690453028.db2.gz AFSSQNYVJWUDAY-NVXWUHKLSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)CC[C@H]21 ZINC001036736468 690453033 /nfs/dbraw/zinc/45/30/33/690453033.db2.gz AFSSQNYVJWUDAY-NVXWUHKLSA-N 1 3 307.482 2.050 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820811 690485725 /nfs/dbraw/zinc/48/57/25/690485725.db2.gz PBAKPCBEZBCVHT-CVEARBPZSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820811 690485727 /nfs/dbraw/zinc/48/57/27/690485727.db2.gz PBAKPCBEZBCVHT-CVEARBPZSA-N 1 3 307.482 2.051 20 0 DEADHO CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001036829706 690490598 /nfs/dbraw/zinc/49/05/98/690490598.db2.gz JWNRVGQCQRUCSL-WBVHZDCISA-N 1 3 318.465 2.311 20 0 DEADHO CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001036829706 690490601 /nfs/dbraw/zinc/49/06/01/690490601.db2.gz JWNRVGQCQRUCSL-WBVHZDCISA-N 1 3 318.465 2.311 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC(C)(C)C ZINC001038237555 690752467 /nfs/dbraw/zinc/75/24/67/690752467.db2.gz CVASPOYOBNVCID-HOTGVXAUSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC(C)(C)C ZINC001038237555 690752470 /nfs/dbraw/zinc/75/24/70/690752470.db2.gz CVASPOYOBNVCID-HOTGVXAUSA-N 1 3 309.498 2.486 20 0 DEADHO CCCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038246072 690755469 /nfs/dbraw/zinc/75/54/69/690755469.db2.gz BMJCITRMVLIEQB-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038246072 690755474 /nfs/dbraw/zinc/75/54/74/690755474.db2.gz BMJCITRMVLIEQB-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO Cc1ccccc1C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001038406190 690809936 /nfs/dbraw/zinc/80/99/36/690809936.db2.gz BHUPQVMCBHRKHU-MSOLQXFVSA-N 1 3 315.461 2.170 20 0 DEADHO Cc1ccccc1C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001038406190 690809938 /nfs/dbraw/zinc/80/99/38/690809938.db2.gz BHUPQVMCBHRKHU-MSOLQXFVSA-N 1 3 315.461 2.170 20 0 DEADHO C[NH+](C)CCc1ccccc1C(=O)NC[C@H]1CCN1CC1CC1 ZINC001038554836 690856724 /nfs/dbraw/zinc/85/67/24/690856724.db2.gz HRYLPRKBEGEKBZ-QGZVFWFLSA-N 1 3 315.461 2.005 20 0 DEADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCN2CCC2=CCCCC2)CC1 ZINC001038664385 690890397 /nfs/dbraw/zinc/89/03/97/690890397.db2.gz UQRNWCFTDHASBW-SFHVURJKSA-N 1 3 319.493 2.409 20 0 DEADHO CC(C)CN1CC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038712759 690903808 /nfs/dbraw/zinc/90/38/08/690903808.db2.gz PNKQQVIJRBPVKG-SFHVURJKSA-N 1 3 317.477 2.251 20 0 DEADHO CN(CCCC[NH+]1CCCCC1)C[C@@H](O)c1ccc(F)cn1 ZINC000880517057 690916032 /nfs/dbraw/zinc/91/60/32/690916032.db2.gz IXJGQPTZBQCCMW-QGZVFWFLSA-N 1 3 309.429 2.452 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCCN1C(C)C ZINC001038782269 690924796 /nfs/dbraw/zinc/92/47/96/690924796.db2.gz RJIZKDJXJOODPO-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCCN1C(C)C ZINC001038782269 690924799 /nfs/dbraw/zinc/92/47/99/690924799.db2.gz RJIZKDJXJOODPO-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO CCCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039240501 691065659 /nfs/dbraw/zinc/06/56/59/691065659.db2.gz XFDGTZCNPHIPNL-RDJZCZTQSA-N 1 3 318.465 2.455 20 0 DEADHO CCCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039240501 691065661 /nfs/dbraw/zinc/06/56/61/691065661.db2.gz XFDGTZCNPHIPNL-RDJZCZTQSA-N 1 3 318.465 2.455 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001039386751 691095143 /nfs/dbraw/zinc/09/51/43/691095143.db2.gz BSPGSVKVNDVHFL-SQNIBIBYSA-N 1 3 319.493 2.479 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001039386751 691095144 /nfs/dbraw/zinc/09/51/44/691095144.db2.gz BSPGSVKVNDVHFL-SQNIBIBYSA-N 1 3 319.493 2.479 20 0 DEADHO CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001039488304 691117997 /nfs/dbraw/zinc/11/79/97/691117997.db2.gz JPUXYYRTPVQEOH-QGZVFWFLSA-N 1 3 309.498 2.296 20 0 DEADHO CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001039488304 691117998 /nfs/dbraw/zinc/11/79/98/691117998.db2.gz JPUXYYRTPVQEOH-QGZVFWFLSA-N 1 3 309.498 2.296 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2)C1CC1 ZINC001040240799 691218898 /nfs/dbraw/zinc/21/88/98/691218898.db2.gz JOSMIKVABXSIAM-IEBWSBKVSA-N 1 3 319.493 2.051 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CC1)C2)C1CC1 ZINC001040240799 691218899 /nfs/dbraw/zinc/21/88/99/691218899.db2.gz JOSMIKVABXSIAM-IEBWSBKVSA-N 1 3 319.493 2.051 20 0 DEADHO CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001040396509 691242120 /nfs/dbraw/zinc/24/21/20/691242120.db2.gz UPYLOHDSXLMNCB-IEBWSBKVSA-N 1 3 321.509 2.443 20 0 DEADHO CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001040396509 691242123 /nfs/dbraw/zinc/24/21/23/691242123.db2.gz UPYLOHDSXLMNCB-IEBWSBKVSA-N 1 3 321.509 2.443 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC)C2 ZINC001040545423 691264061 /nfs/dbraw/zinc/26/40/61/691264061.db2.gz PUGPZODBJBEPBF-AEFFLSMTSA-N 1 3 307.482 2.195 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC)C2 ZINC001040545423 691264065 /nfs/dbraw/zinc/26/40/65/691264065.db2.gz PUGPZODBJBEPBF-AEFFLSMTSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC1 ZINC001040729737 691282875 /nfs/dbraw/zinc/28/28/75/691282875.db2.gz PEIRILUCJPFRGD-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CCCC[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)CC1 ZINC001040729197 691283097 /nfs/dbraw/zinc/28/30/97/691283097.db2.gz FDASASCLCFNPNU-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[NH+]1CCC2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001040847838 691292635 /nfs/dbraw/zinc/29/26/35/691292635.db2.gz ADPMPIZNNXJMMU-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[NH+]1CCC2(CCN(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001040850187 691292680 /nfs/dbraw/zinc/29/26/80/691292680.db2.gz ZQXLQCFGOJUSPT-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001041675190 691408309 /nfs/dbraw/zinc/40/83/09/691408309.db2.gz NWFVQAHJCSDWIF-PKOBYXMFSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001041675190 691408311 /nfs/dbraw/zinc/40/83/11/691408311.db2.gz NWFVQAHJCSDWIF-PKOBYXMFSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001041674956 691408603 /nfs/dbraw/zinc/40/86/03/691408603.db2.gz MUBQPNQREQCMIB-QFBILLFUSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001041674956 691408605 /nfs/dbraw/zinc/40/86/05/691408605.db2.gz MUBQPNQREQCMIB-QFBILLFUSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001041674959 691408760 /nfs/dbraw/zinc/40/87/60/691408760.db2.gz MUBQPNQREQCMIB-VQIMIIECSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001041674959 691408764 /nfs/dbraw/zinc/40/87/64/691408764.db2.gz MUBQPNQREQCMIB-VQIMIIECSA-N 1 3 319.493 2.195 20 0 DEADHO O=c1oc2ccc(CN[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2o1 ZINC000883161937 691444958 /nfs/dbraw/zinc/44/49/58/691444958.db2.gz FZGTYBMCVPXVMS-KGLIPLIRSA-N 1 3 302.374 2.493 20 0 DEADHO O=c1oc2ccc(CN[C@@H]3CCC[N@H+]4CCCC[C@@H]34)cc2o1 ZINC000883161937 691444961 /nfs/dbraw/zinc/44/49/61/691444961.db2.gz FZGTYBMCVPXVMS-KGLIPLIRSA-N 1 3 302.374 2.493 20 0 DEADHO CN1CC[C@H]([NH2+]Cc2ccc(N3CCNC3=O)cc2)CC1(C)C ZINC000883280605 691471007 /nfs/dbraw/zinc/47/10/07/691471007.db2.gz ISZBYYYCTGGKOL-HNNXBMFYSA-N 1 3 316.449 2.179 20 0 DEADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@H+](CC3CC3)[C@@H]2C1)N1CCCC1 ZINC001042188908 691532631 /nfs/dbraw/zinc/53/26/31/691532631.db2.gz XLRBRKMBUNHYOZ-DLBZAZTESA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@@H+](CC3CC3)[C@@H]2C1)N1CCCC1 ZINC001042188908 691532633 /nfs/dbraw/zinc/53/26/33/691532633.db2.gz XLRBRKMBUNHYOZ-DLBZAZTESA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@H+](CC3CC3)[C@@H]2C1)c1c[nH]cn1 ZINC001042314540 691567600 /nfs/dbraw/zinc/56/76/00/691567600.db2.gz RTOVEZTWEITKGT-LSDHHAIUSA-N 1 3 316.449 2.020 20 0 DEADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@@H+](CC3CC3)[C@@H]2C1)c1c[nH]cn1 ZINC001042314540 691567602 /nfs/dbraw/zinc/56/76/02/691567602.db2.gz RTOVEZTWEITKGT-LSDHHAIUSA-N 1 3 316.449 2.020 20 0 DEADHO CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@H]21 ZINC001042368969 691583784 /nfs/dbraw/zinc/58/37/84/691583784.db2.gz UEGWGLHSANOAQP-CRAIPNDOSA-N 1 3 315.461 2.305 20 0 DEADHO CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@H]21 ZINC001042368969 691583787 /nfs/dbraw/zinc/58/37/87/691583787.db2.gz UEGWGLHSANOAQP-CRAIPNDOSA-N 1 3 315.461 2.305 20 0 DEADHO N[C@@H](CC1CC1)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000884319458 691708980 /nfs/dbraw/zinc/70/89/80/691708980.db2.gz VMLOODXZFUYAKC-KRWDZBQOSA-N 1 3 307.482 2.228 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CC2CCC2)CCN1C(=O)CN(C)C1CCC1 ZINC001044628624 691861321 /nfs/dbraw/zinc/86/13/21/691861321.db2.gz IQCXIVUUJAUQQL-GOEBONIOSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CCC2CC2)CCN1C(=O)CN(C)C1CCC1 ZINC001044627664 691861748 /nfs/dbraw/zinc/86/17/48/691861748.db2.gz BIWQCDKLVMJQOL-HOCLYGCPSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CCCC1)N(C)C ZINC001045187320 691948578 /nfs/dbraw/zinc/94/85/78/691948578.db2.gz JHDWSUTXXXDMRL-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)C1CCC1)C2 ZINC001045943712 692058790 /nfs/dbraw/zinc/05/87/90/692058790.db2.gz NCQVIIICGVWLOG-GOSISDBHSA-N 1 3 307.482 2.195 20 0 DEADHO CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)C1CCC1)C2 ZINC001045943712 692058792 /nfs/dbraw/zinc/05/87/92/692058792.db2.gz NCQVIIICGVWLOG-GOSISDBHSA-N 1 3 307.482 2.195 20 0 DEADHO CN1CCC([NH+]2CCC(N[C@@H]3CCc4cccnc43)CC2)CC1 ZINC000886519644 692099634 /nfs/dbraw/zinc/09/96/34/692099634.db2.gz ZNPVSXFNQOFOMD-GOSISDBHSA-N 1 3 314.477 2.217 20 0 DEADHO OC[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CC1 ZINC000886548065 692106840 /nfs/dbraw/zinc/10/68/40/692106840.db2.gz WREAONRVEURDSY-NQYYFHDYSA-N 1 3 300.446 2.400 20 0 DEADHO C[N@@H+]1CC[C@@](O)(CN[C@H]2CCCc3c4cc(F)ccc4[nH]c32)C1 ZINC000886589859 692121033 /nfs/dbraw/zinc/12/10/33/692121033.db2.gz HYCHHPZAFUBSRN-FUHWJXTLSA-N 1 3 317.408 2.341 20 0 DEADHO C[N@H+]1CC[C@@](O)(CN[C@H]2CCCc3c4cc(F)ccc4[nH]c32)C1 ZINC000886589859 692121036 /nfs/dbraw/zinc/12/10/36/692121036.db2.gz HYCHHPZAFUBSRN-FUHWJXTLSA-N 1 3 317.408 2.341 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001046316745 692150167 /nfs/dbraw/zinc/15/01/67/692150167.db2.gz QOVAVOANWVNWPT-SJLPKXTDSA-N 1 3 307.482 2.406 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001046316745 692150169 /nfs/dbraw/zinc/15/01/69/692150169.db2.gz QOVAVOANWVNWPT-SJLPKXTDSA-N 1 3 307.482 2.406 20 0 DEADHO CC[C@H](F)CN1CC[C@@](C)(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046450832 692191075 /nfs/dbraw/zinc/19/10/75/692191075.db2.gz WSQORAQAFPYHHT-WMLDXEAASA-N 1 3 318.396 2.277 20 0 DEADHO O=C(CCN1CCCC[C@@]2(CC[NH2+]C2)C1)Nc1ccccc1 ZINC000886869769 692216234 /nfs/dbraw/zinc/21/62/34/692216234.db2.gz HOGZLLSOIFEERJ-SFHVURJKSA-N 1 3 301.434 2.481 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001049708260 692970747 /nfs/dbraw/zinc/97/07/47/692970747.db2.gz FOSDHTHXDHNDLX-BRWVUGGUSA-N 1 3 309.498 2.438 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001049708260 692970751 /nfs/dbraw/zinc/97/07/51/692970751.db2.gz FOSDHTHXDHNDLX-BRWVUGGUSA-N 1 3 309.498 2.438 20 0 DEADHO COCCN(Cc1cnn(C2CCC2)c1)CC1CC[NH+](C)CC1 ZINC000895692945 692998131 /nfs/dbraw/zinc/99/81/31/692998131.db2.gz YQNHMSHOKLLUPO-UHFFFAOYSA-N 1 3 320.481 2.398 20 0 DEADHO CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049845633 693019593 /nfs/dbraw/zinc/01/95/93/693019593.db2.gz BDYLEXWHEWUXMM-KGLIPLIRSA-N 1 3 304.438 2.163 20 0 DEADHO CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049845633 693019594 /nfs/dbraw/zinc/01/95/94/693019594.db2.gz BDYLEXWHEWUXMM-KGLIPLIRSA-N 1 3 304.438 2.163 20 0 DEADHO CCN(C)C[C@H](O)C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932190599 694571038 /nfs/dbraw/zinc/57/10/38/694571038.db2.gz OOBAUGYUSUMWGO-KGLIPLIRSA-N 1 3 323.506 2.124 20 0 DEADHO CCN(C)C[C@H](O)C[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932190599 694571039 /nfs/dbraw/zinc/57/10/39/694571039.db2.gz OOBAUGYUSUMWGO-KGLIPLIRSA-N 1 3 323.506 2.124 20 0 DEADHO CC1(C)[C@H]([NH2+]CCc2ccc3c(c2)OCCO3)[C@@H]2CCCN[C@@H]21 ZINC000925501430 693283752 /nfs/dbraw/zinc/28/37/52/693283752.db2.gz CMKBRQHBDGKVDF-FHLIZLRMSA-N 1 3 316.445 2.367 20 0 DEADHO CC1(C)[C@H](NCCc2ccc3c(c2)OCCO3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925501430 693283757 /nfs/dbraw/zinc/28/37/57/693283757.db2.gz CMKBRQHBDGKVDF-FHLIZLRMSA-N 1 3 316.445 2.367 20 0 DEADHO O[C@H](CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)Cc1ccccc1 ZINC000925499440 693283827 /nfs/dbraw/zinc/28/38/27/693283827.db2.gz PGBNMYLLJAHABO-GBESFXJTSA-N 1 3 302.462 2.348 20 0 DEADHO CC1(C)C[C@@H]([NH3+])C[C@H](NCc2ccccc2CS(C)(=O)=O)C1 ZINC000925535025 693290771 /nfs/dbraw/zinc/29/07/71/693290771.db2.gz SQAOIUJCXNQMCH-HOTGVXAUSA-N 1 3 324.490 2.227 20 0 DEADHO N[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)C12CCC2 ZINC000925663845 693320399 /nfs/dbraw/zinc/32/03/99/693320399.db2.gz AQACJHZXDMAFPA-OAGGEKHMSA-N 1 3 314.433 2.152 20 0 DEADHO CN1CC[C@@H](CN[C@@H]2CC[NH2+]C23CCCC3)[C@@H]1c1cccnc1 ZINC000925685983 693324694 /nfs/dbraw/zinc/32/46/94/693324694.db2.gz OTWVZUIWRVPTNI-KSZLIROESA-N 1 3 314.477 2.339 20 0 DEADHO CNC(=O)CC1(C[NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CCCCC1 ZINC000925718258 693329725 /nfs/dbraw/zinc/32/97/25/693329725.db2.gz YTDWUYAZVGUFDG-HYVNUMGLSA-N 1 3 321.509 2.439 20 0 DEADHO Nc1ccnc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000925767127 693337801 /nfs/dbraw/zinc/33/78/01/693337801.db2.gz MYROPGGNBIAOGY-WMZOPIPTSA-N 1 3 310.401 2.009 20 0 DEADHO CCC[C@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccn1 ZINC000925859155 693355493 /nfs/dbraw/zinc/35/54/93/693355493.db2.gz WBEXZRXGIYPXJO-CABCVRRESA-N 1 3 317.433 2.198 20 0 DEADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@@]1(C)OCCc2sccc21 ZINC000926448994 693451612 /nfs/dbraw/zinc/45/16/12/693451612.db2.gz QRSGMYBGOLHASH-UKGMILFYSA-N 1 3 306.475 2.466 20 0 DEADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@@]1(C)OCCc2sccc21 ZINC000926448994 693451614 /nfs/dbraw/zinc/45/16/14/693451614.db2.gz QRSGMYBGOLHASH-UKGMILFYSA-N 1 3 306.475 2.466 20 0 DEADHO CC(C)CCN1CCC([NH2+]C[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000926654147 693487352 /nfs/dbraw/zinc/48/73/52/693487352.db2.gz KXWDLGXEJAZLKB-OAHLLOKOSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001052368336 693517166 /nfs/dbraw/zinc/51/71/66/693517166.db2.gz JHHQKFHBCFBBJF-SJORKVTESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001052368336 693517169 /nfs/dbraw/zinc/51/71/69/693517169.db2.gz JHHQKFHBCFBBJF-SJORKVTESA-N 1 3 309.498 2.486 20 0 DEADHO OC[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000927144091 693560133 /nfs/dbraw/zinc/56/01/33/693560133.db2.gz JGDZCRQAJCWIPW-QQXKLLMISA-N 1 3 300.446 2.258 20 0 DEADHO CC(C)CCN1CCC([NH2+][C@H]2C[C@H](O)C23CCOCC3)CC1 ZINC000927151360 693561524 /nfs/dbraw/zinc/56/15/24/693561524.db2.gz AKLUFYGKFAMJRX-IRXDYDNUSA-N 1 3 310.482 2.017 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001370643027 1149824915 /nfs/dbraw/zinc/82/49/15/1149824915.db2.gz MHXVLBSXDQXLRX-KFWWJZLASA-N 1 3 313.461 2.236 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@@H]([NH2+]CC2CC2)C2CC2)c1 ZINC001402367745 1162333609 /nfs/dbraw/zinc/33/36/09/1162333609.db2.gz CGKUFQXDCCBGAL-GOSISDBHSA-N 1 3 315.461 2.256 20 0 DEADHO CCN1CCN(c2ccc(NC(=O)CC(C)(C)C[NH3+])cc2)CC1 ZINC001343443605 1150742735 /nfs/dbraw/zinc/74/27/35/1150742735.db2.gz ANWBKMLKDHBJLI-UHFFFAOYSA-N 1 3 318.465 2.142 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](N[C@H](C)c2ccccc2F)C1 ZINC001402629153 1162417490 /nfs/dbraw/zinc/41/74/90/1162417490.db2.gz PIYBZSGQXFZKAP-KFWWJZLASA-N 1 3 321.440 2.465 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](N[C@H](C)c2ccccc2F)C1 ZINC001402629153 1162417492 /nfs/dbraw/zinc/41/74/92/1162417492.db2.gz PIYBZSGQXFZKAP-KFWWJZLASA-N 1 3 321.440 2.465 20 0 DEADHO CC[C@@H](c1ccccc1)N1CCN(C[C@@H](O)C[N@H+](C)CC)CC1 ZINC001413964914 1151871675 /nfs/dbraw/zinc/87/16/75/1151871675.db2.gz NHNVQOUNKSZOHB-OALUTQOASA-N 1 3 319.493 2.068 20 0 DEADHO CC[C@@H](c1ccccc1)N1CCN(C[C@@H](O)C[N@@H+](C)CC)CC1 ZINC001413964914 1151871677 /nfs/dbraw/zinc/87/16/77/1151871677.db2.gz NHNVQOUNKSZOHB-OALUTQOASA-N 1 3 319.493 2.068 20 0 DEADHO CN(CCNC(=O)C1([NH+](C)C)CCCC1)Cc1ccccc1 ZINC001361909645 1152773561 /nfs/dbraw/zinc/77/35/61/1152773561.db2.gz VBUJMCWNVDTKRW-UHFFFAOYSA-N 1 3 303.450 2.109 20 0 DEADHO C[C@@H](CC[NH+](C)C)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC001362009556 1152800486 /nfs/dbraw/zinc/80/04/86/1152800486.db2.gz OBYIGNUDPWPKSR-HNNXBMFYSA-N 1 3 323.456 2.304 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001380479420 1152819607 /nfs/dbraw/zinc/81/96/07/1152819607.db2.gz YGBYAOQUDOZPPO-SJLPKXTDSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)C[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001380479420 1152819608 /nfs/dbraw/zinc/81/96/08/1152819608.db2.gz YGBYAOQUDOZPPO-SJLPKXTDSA-N 1 3 311.514 2.447 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC2CCCC2)C1 ZINC001380671359 1152842214 /nfs/dbraw/zinc/84/22/14/1152842214.db2.gz PJVYERFZKPDCGJ-WBVHZDCISA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](C[C@H](C)CC(C)C)C[C@@H]2C1)N(C)C ZINC001380701814 1152846558 /nfs/dbraw/zinc/84/65/58/1152846558.db2.gz CFMBEGQIXPDGLO-BDXSIMOUSA-N 1 3 323.525 2.399 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](C[C@H](C)CC(C)C)C[C@@H]2C1)N(C)C ZINC001380701814 1152846559 /nfs/dbraw/zinc/84/65/59/1152846559.db2.gz CFMBEGQIXPDGLO-BDXSIMOUSA-N 1 3 323.525 2.399 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CCCC(C)C)C[C@@H]2C1 ZINC001380707173 1152847357 /nfs/dbraw/zinc/84/73/57/1152847357.db2.gz XIELBCLBNCSKAB-CALCHBBNSA-N 1 3 309.498 2.155 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CCCC(C)C)C[C@@H]2C1 ZINC001380707173 1152847358 /nfs/dbraw/zinc/84/73/58/1152847358.db2.gz XIELBCLBNCSKAB-CALCHBBNSA-N 1 3 309.498 2.155 20 0 DEADHO CC[C@@H](F)CN1CCC[C@H](NC(=O)CC[N@H+](C)CC)CC1 ZINC001380942928 1152882008 /nfs/dbraw/zinc/88/20/08/1152882008.db2.gz XUYUTHUXBIPRGV-CABCVRRESA-N 1 3 301.450 2.047 20 0 DEADHO CC[C@@H](F)CN1CCC[C@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001380942928 1152882009 /nfs/dbraw/zinc/88/20/09/1152882009.db2.gz XUYUTHUXBIPRGV-CABCVRRESA-N 1 3 301.450 2.047 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccsc1)N(C)C ZINC001381197805 1152947762 /nfs/dbraw/zinc/94/77/62/1152947762.db2.gz OMRQEBWSZHXPNP-ZFWWWQNUSA-N 1 3 311.495 2.319 20 0 DEADHO CC(C)C[NH2+]C1CCC(N(C)C(=O)C2(N(C)C)CCC2)CC1 ZINC001381459314 1153072126 /nfs/dbraw/zinc/07/21/26/1153072126.db2.gz PYPKXCWFHRNRAD-UHFFFAOYSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@@H](C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@@H]2C1 ZINC001381908403 1153270733 /nfs/dbraw/zinc/27/07/33/1153270733.db2.gz YGRCPKLXSUJMFE-VQHPVUNQSA-N 1 3 323.525 2.304 20 0 DEADHO CC[C@@H](C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@@H]2C1 ZINC001381908403 1153270737 /nfs/dbraw/zinc/27/07/37/1153270737.db2.gz YGRCPKLXSUJMFE-VQHPVUNQSA-N 1 3 323.525 2.304 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001381973741 1153298822 /nfs/dbraw/zinc/29/88/22/1153298822.db2.gz NWEKZGSKHDWEHM-DJIMGWMZSA-N 1 3 321.440 2.150 20 0 DEADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001382093176 1153354581 /nfs/dbraw/zinc/35/45/81/1153354581.db2.gz QPLRRHHWYABKFE-HNNXBMFYSA-N 1 3 321.509 2.488 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCC(F)(F)F ZINC001382161505 1153382845 /nfs/dbraw/zinc/38/28/45/1153382845.db2.gz DKAIPPOUGXIUTA-STQMWFEESA-N 1 3 323.403 2.250 20 0 DEADHO CC(C)C[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)CC1 ZINC001363906720 1153712543 /nfs/dbraw/zinc/71/25/43/1153712543.db2.gz RSCCIPGPDFNDSV-IRXDYDNUSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001403074680 1162690632 /nfs/dbraw/zinc/69/06/32/1162690632.db2.gz AQTKTSQWZOPLRJ-JSGCOSHPSA-N 1 3 319.440 2.246 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC001390069399 1155518858 /nfs/dbraw/zinc/51/88/58/1155518858.db2.gz WKTBKYKBLLYSQD-CYBMUJFWSA-N 1 3 323.403 2.109 20 0 DEADHO CC(C)[C@H](C(=O)NC1CCC([NH2+]C/C=C\Cl)CC1)N(C)C ZINC001371074565 1155683805 /nfs/dbraw/zinc/68/38/05/1155683805.db2.gz BAGVCLYCRIZOQU-LVMOKFAESA-N 1 3 315.889 2.342 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H](NCc2nccs2)C1 ZINC001390612278 1155813948 /nfs/dbraw/zinc/81/39/48/1155813948.db2.gz LMHUMPZPUNQVBO-UONOGXRCSA-N 1 3 324.494 2.002 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H](NCc2nccs2)C1 ZINC001390612278 1155813949 /nfs/dbraw/zinc/81/39/49/1155813949.db2.gz LMHUMPZPUNQVBO-UONOGXRCSA-N 1 3 324.494 2.002 20 0 DEADHO CN(CCNC(=O)CC[NH+]1CCCCC1)CCc1ccccc1 ZINC001372236867 1156320440 /nfs/dbraw/zinc/32/04/40/1156320440.db2.gz FWVMHMAXSIIGEG-UHFFFAOYSA-N 1 3 317.477 2.153 20 0 DEADHO C[C@H](F)CC[N@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001391365399 1156362233 /nfs/dbraw/zinc/36/22/33/1156362233.db2.gz NMSYZTQOZLEVRK-HNNXBMFYSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@H](F)CC[N@@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001391365399 1156362239 /nfs/dbraw/zinc/36/22/39/1156362239.db2.gz NMSYZTQOZLEVRK-HNNXBMFYSA-N 1 3 313.461 2.001 20 0 DEADHO Cc1cccc([C@@H](C)N2CC(CNC(=O)CC[NH+](C)C)C2)c1 ZINC001391497332 1156468058 /nfs/dbraw/zinc/46/80/58/1156468058.db2.gz QYWJCKCQBFTSQG-OAHLLOKOSA-N 1 3 303.450 2.056 20 0 DEADHO CC[C@H](CNC(=O)[C@@H]1CCCN1C(C)C)[NH2+]CCC(F)(F)F ZINC001391698475 1156706876 /nfs/dbraw/zinc/70/68/76/1156706876.db2.gz VVQVOXWHOGNFGN-OLZOCXBDSA-N 1 3 323.403 2.296 20 0 DEADHO CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]CC1CC(C)(C)C1 ZINC001391739954 1156764324 /nfs/dbraw/zinc/76/43/24/1156764324.db2.gz LPLZECKDHGTKNK-CVEARBPZSA-N 1 3 311.514 2.493 20 0 DEADHO C[C@@H](C[NH2+]Cc1ccc(CF)cc1)N(C)C(=O)[C@H]1CCCN1C ZINC001392051429 1156857900 /nfs/dbraw/zinc/85/79/00/1156857900.db2.gz REJZQMHOERYMKY-WMLDXEAASA-N 1 3 321.440 2.187 20 0 DEADHO C[C@@H](C[NH2+]Cc1ccc(F)cc1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001392102217 1156867616 /nfs/dbraw/zinc/86/76/16/1156867616.db2.gz RLNFRDVPYDYGRI-GJZGRUSLSA-N 1 3 321.440 2.104 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CN2CCCC2)cc1C ZINC001392135455 1156873900 /nfs/dbraw/zinc/87/39/00/1156873900.db2.gz RQUUHUYWGZVZEX-QGZVFWFLSA-N 1 3 317.477 2.336 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)Cc2ccccc2)CC[N@@H+]1C ZINC001392281633 1156976966 /nfs/dbraw/zinc/97/69/66/1156976966.db2.gz XWYURFGMLHMSBQ-ZWKOTPCHSA-N 1 3 317.477 2.307 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)Cc2ccccc2)CC[N@H+]1C ZINC001392281633 1156976976 /nfs/dbraw/zinc/97/69/76/1156976976.db2.gz XWYURFGMLHMSBQ-ZWKOTPCHSA-N 1 3 317.477 2.307 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)CC[N@H+](C)CC2CC3(CCC3)C2)C1 ZINC001392311917 1157010939 /nfs/dbraw/zinc/01/09/39/1157010939.db2.gz JMVUYQLECFEFSA-MRXNPFEDSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)CC[N@@H+](C)CC2CC3(CCC3)C2)C1 ZINC001392311917 1157010944 /nfs/dbraw/zinc/01/09/44/1157010944.db2.gz JMVUYQLECFEFSA-MRXNPFEDSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@H](NC(=O)CN(C)C1CCC1)C1C[NH+](CCC(C)(C)C)C1 ZINC001403298064 1162843081 /nfs/dbraw/zinc/84/30/81/1162843081.db2.gz FZZPMGBLZAHHDB-AWEZNQCLSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001392618807 1157217942 /nfs/dbraw/zinc/21/79/42/1157217942.db2.gz NFQVMLPIZFRCOP-UONOGXRCSA-N 1 3 319.440 2.246 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C1C[NH+](CCCC2CCC2)C1)N(C)C ZINC001403314040 1162847712 /nfs/dbraw/zinc/84/77/12/1162847712.db2.gz CWGIKINGUPDPIM-WMLDXEAASA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCc1ccns1 ZINC001373785972 1157362888 /nfs/dbraw/zinc/36/28/88/1157362888.db2.gz VELGXMOEKHMPKQ-ZDUSSCGKSA-N 1 3 324.494 2.002 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC(CC[NH2+]C(C)C)CC1 ZINC001373908356 1157452825 /nfs/dbraw/zinc/45/28/25/1157452825.db2.gz MGZFTZKIDRMXNQ-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[NH2+]Cc1ccc(CNC(=O)CN2[C@H](C)CC[C@H]2C)cc1 ZINC001373933934 1157476698 /nfs/dbraw/zinc/47/66/98/1157476698.db2.gz NIBRZGBJIBFCGQ-HUUCEWRRSA-N 1 3 303.450 2.285 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CCN1CC1CCC1)[NH+]1CCCC1 ZINC001392881985 1157507293 /nfs/dbraw/zinc/50/72/93/1157507293.db2.gz YUVYVFGSIONVCB-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CC4CC4)C[C@@H]3C2)CCC1 ZINC001403398243 1162872467 /nfs/dbraw/zinc/87/24/67/1162872467.db2.gz AYDYZIMVJNMSKG-YESZJQIVSA-N 1 3 319.493 2.097 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](CC4CC4)C[C@@H]3C2)CCC1 ZINC001403398243 1162872469 /nfs/dbraw/zinc/87/24/69/1162872469.db2.gz AYDYZIMVJNMSKG-YESZJQIVSA-N 1 3 319.493 2.097 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+][C@H](C)c1ccccc1 ZINC001374112394 1157633627 /nfs/dbraw/zinc/63/36/27/1157633627.db2.gz NRAWNBWXXJZMJL-JKSUJKDBSA-N 1 3 305.466 2.430 20 0 DEADHO CC[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001403464427 1162891173 /nfs/dbraw/zinc/89/11/73/1162891173.db2.gz UQYNYVIABLFTAO-QAETUUGQSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H](NCCF)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001393490406 1157841755 /nfs/dbraw/zinc/84/17/55/1157841755.db2.gz JCPOZKZXPXRFPM-CQSZACIVSA-N 1 3 321.440 2.265 20 0 DEADHO CC[C@@H](F)CNC[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001374921119 1158093029 /nfs/dbraw/zinc/09/30/29/1158093029.db2.gz RTLANJUNNVLPAG-LSDHHAIUSA-N 1 3 315.477 2.341 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1csc(C)c1 ZINC001394000716 1158149199 /nfs/dbraw/zinc/14/91/99/1158149199.db2.gz OXPSRTROVCKKNP-UONOGXRCSA-N 1 3 311.495 2.381 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCc1ccc(C)cc1)N(C)C ZINC001375132710 1158341140 /nfs/dbraw/zinc/34/11/40/1158341140.db2.gz AXOLHZPKFKEWDZ-WMZOPIPTSA-N 1 3 319.493 2.314 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCc1ccc(C)cc1)N(C)C ZINC001375132710 1158341148 /nfs/dbraw/zinc/34/11/48/1158341148.db2.gz AXOLHZPKFKEWDZ-WMZOPIPTSA-N 1 3 319.493 2.314 20 0 DEADHO CN(C)C1(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCC(C)(C)C)C[C@H]32)CCC1 ZINC001394306611 1158408071 /nfs/dbraw/zinc/40/80/71/1158408071.db2.gz BMRNHJCVVOPXBR-PHZGNYQRSA-N 1 3 321.509 2.201 20 0 DEADHO CN(C)C1(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCC(C)(C)C)C[C@H]32)CCC1 ZINC001394306611 1158408075 /nfs/dbraw/zinc/40/80/75/1158408075.db2.gz BMRNHJCVVOPXBR-PHZGNYQRSA-N 1 3 321.509 2.201 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001394392922 1158478232 /nfs/dbraw/zinc/47/82/32/1158478232.db2.gz QURYEOMWNSYLAI-SHTZXODSSA-N 1 3 309.479 2.074 20 0 DEADHO CC[C@@H](c1ccccc1)N1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001375344233 1158519480 /nfs/dbraw/zinc/51/94/80/1158519480.db2.gz YLQAYDDIPAUXGN-SJORKVTESA-N 1 3 303.450 2.280 20 0 DEADHO CCc1ccc(C[NH2+]C2(CNC(=O)[C@H](CC)N(C)C)CC2)cc1 ZINC001375490755 1158760964 /nfs/dbraw/zinc/76/09/64/1158760964.db2.gz LFEKUEBHKZBZRI-KRWDZBQOSA-N 1 3 317.477 2.328 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](CC2CC2)CC(C)(C)C1 ZINC001375685655 1158848098 /nfs/dbraw/zinc/84/80/98/1158848098.db2.gz CVJCTVSKJLCRCZ-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1 ZINC001375685655 1158848101 /nfs/dbraw/zinc/84/81/01/1158848101.db2.gz CVJCTVSKJLCRCZ-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001375806297 1158877996 /nfs/dbraw/zinc/87/79/96/1158877996.db2.gz PKKLJBHIHZZVAA-LJQANCHMSA-N 1 3 321.509 2.443 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001375806297 1158877997 /nfs/dbraw/zinc/87/79/97/1158877997.db2.gz PKKLJBHIHZZVAA-LJQANCHMSA-N 1 3 321.509 2.443 20 0 DEADHO CC[C@H](C(=O)NC[C@@]1(C)CCC[N@H+](CCC2CC2)C1)N(C)C ZINC001375945926 1159013403 /nfs/dbraw/zinc/01/34/03/1159013403.db2.gz MCXVZJLJXHVZJH-SJLPKXTDSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)NC[C@@]1(C)CCC[N@@H+](CCC2CC2)C1)N(C)C ZINC001375945926 1159013409 /nfs/dbraw/zinc/01/34/09/1159013409.db2.gz MCXVZJLJXHVZJH-SJLPKXTDSA-N 1 3 309.498 2.345 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](CN(C)C/C=C\Cl)C1 ZINC001376294882 1159321762 /nfs/dbraw/zinc/32/17/62/1159321762.db2.gz QKWULMNDAZRMSJ-WUKHSURWSA-N 1 3 315.889 2.251 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CCC[N@H+](CC2CCC2)C1)N1CCCC1 ZINC001376529131 1159511744 /nfs/dbraw/zinc/51/17/44/1159511744.db2.gz INIOTGNBSIIPSY-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CCC[N@@H+](CC2CCC2)C1)N1CCCC1 ZINC001376529131 1159511751 /nfs/dbraw/zinc/51/17/51/1159511751.db2.gz INIOTGNBSIIPSY-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1[C@H](C(=O)NCC2(NCc3ccsc3)CCC2)CC[N@@H+]1C ZINC001376736278 1159743624 /nfs/dbraw/zinc/74/36/24/1159743624.db2.gz JECDBUJMYCBLBG-UKRRQHHQSA-N 1 3 321.490 2.217 20 0 DEADHO C[C@@H]1[C@H](C(=O)NCC2(NCc3ccsc3)CCC2)CC[N@H+]1C ZINC001376736278 1159743637 /nfs/dbraw/zinc/74/36/37/1159743637.db2.gz JECDBUJMYCBLBG-UKRRQHHQSA-N 1 3 321.490 2.217 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)c1cccc(C)c1 ZINC001376846042 1159821506 /nfs/dbraw/zinc/82/15/06/1159821506.db2.gz HAQHHMWCTYPEMR-HOTGVXAUSA-N 1 3 305.466 2.492 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccsc1)N(C)C ZINC001403642991 1163071219 /nfs/dbraw/zinc/07/12/19/1163071219.db2.gz URNIMORCDYENTB-HIFRSBDPSA-N 1 3 311.495 2.271 20 0 DEADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CCN1Cc1ccccc1C ZINC001397048956 1159920341 /nfs/dbraw/zinc/92/03/41/1159920341.db2.gz QPAXETWHSJWIGF-SFHVURJKSA-N 1 3 317.477 2.370 20 0 DEADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CCN1Cc1ccccc1C ZINC001397048956 1159920351 /nfs/dbraw/zinc/92/03/51/1159920351.db2.gz QPAXETWHSJWIGF-SFHVURJKSA-N 1 3 317.477 2.370 20 0 DEADHO CC[C@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001397083378 1159956105 /nfs/dbraw/zinc/95/61/05/1159956105.db2.gz RSMAHGTXUDSLSY-SOUVJXGZSA-N 1 3 315.477 2.197 20 0 DEADHO CN(CC(=O)NCC[N@H+](C)CC1CC(C)(C)C1)CC(C)(C)C ZINC001403682614 1163088258 /nfs/dbraw/zinc/08/82/58/1163088258.db2.gz DVGJFSWITXLQTR-UHFFFAOYSA-N 1 3 311.514 2.449 20 0 DEADHO CN(CC(=O)NCC[N@@H+](C)CC1CC(C)(C)C1)CC(C)(C)C ZINC001403682614 1163088263 /nfs/dbraw/zinc/08/82/63/1163088263.db2.gz DVGJFSWITXLQTR-UHFFFAOYSA-N 1 3 311.514 2.449 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1Cc1ccc(CF)cc1 ZINC001397253687 1160085671 /nfs/dbraw/zinc/08/56/71/1160085671.db2.gz UOFLZHNIXBKEBG-PBHICJAKSA-N 1 3 321.440 2.187 20 0 DEADHO CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)CCc1ccccc1 ZINC001377335828 1160230460 /nfs/dbraw/zinc/23/04/60/1160230460.db2.gz JJCDPLFDGRBQGF-QGZVFWFLSA-N 1 3 317.477 2.009 20 0 DEADHO CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)CCc1ccccc1 ZINC001377335828 1160230473 /nfs/dbraw/zinc/23/04/73/1160230473.db2.gz JJCDPLFDGRBQGF-QGZVFWFLSA-N 1 3 317.477 2.009 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001397610256 1160361540 /nfs/dbraw/zinc/36/15/40/1160361540.db2.gz POUJKECRLWBUTC-IMJJTQAJSA-N 1 3 309.498 2.247 20 0 DEADHO CC[C@@H](C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001397808333 1160534646 /nfs/dbraw/zinc/53/46/46/1160534646.db2.gz CNIRPKCOPPTBPY-ZBFHGGJFSA-N 1 3 306.454 2.311 20 0 DEADHO CC[C@@H](C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001397808333 1160534656 /nfs/dbraw/zinc/53/46/56/1160534656.db2.gz CNIRPKCOPPTBPY-ZBFHGGJFSA-N 1 3 306.454 2.311 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccsc2)C1 ZINC001377764035 1160811530 /nfs/dbraw/zinc/81/15/30/1160811530.db2.gz SYDGEYMUCMXEKU-HNNXBMFYSA-N 1 3 323.506 2.370 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccsc2)C1 ZINC001377764035 1160811532 /nfs/dbraw/zinc/81/15/32/1160811532.db2.gz SYDGEYMUCMXEKU-HNNXBMFYSA-N 1 3 323.506 2.370 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]C/C=C\Cl ZINC001398195119 1160813714 /nfs/dbraw/zinc/81/37/14/1160813714.db2.gz BXYZBMMYKMMYQO-RJXMKIDGSA-N 1 3 315.889 2.438 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@H+](C)CC2CC(C)C2)C1 ZINC001377781501 1160820863 /nfs/dbraw/zinc/82/08/63/1160820863.db2.gz IRYGGGDRDBGGAQ-AQFXKWCLSA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@@H+](C)CC2CC(C)C2)C1 ZINC001377781501 1160820864 /nfs/dbraw/zinc/82/08/64/1160820864.db2.gz IRYGGGDRDBGGAQ-AQFXKWCLSA-N 1 3 309.498 2.153 20 0 DEADHO CC[C@@H](C(=O)N1CCC(CN(C)CCF)CC1)[NH+](CC)CC ZINC001377795405 1160828656 /nfs/dbraw/zinc/82/86/56/1160828656.db2.gz HHCDPDGHLZZLBK-INIZCTEOSA-N 1 3 315.477 2.247 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001398353571 1160863172 /nfs/dbraw/zinc/86/31/72/1160863172.db2.gz ABOJRYYUHATIJW-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO CC[C@H](C(=O)NC[C@H]([NH2+]Cc1ccc(C)cc1)C1CC1)N(C)C ZINC001398397743 1160876701 /nfs/dbraw/zinc/87/67/01/1160876701.db2.gz QMCPZLDIWMWNDV-ZWKOTPCHSA-N 1 3 317.477 2.320 20 0 DEADHO CC1CC(C[NH2+]CC(C)(C)CN(C)C(=O)CN2CC[C@H](C)C2)C1 ZINC001377963601 1160885073 /nfs/dbraw/zinc/88/50/73/1160885073.db2.gz XICFPJXDBQLZCC-GTPINHCMSA-N 1 3 323.525 2.449 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001398463077 1160898809 /nfs/dbraw/zinc/89/88/09/1160898809.db2.gz KQBBLXCBIGNZAR-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001398463077 1160898810 /nfs/dbraw/zinc/89/88/10/1160898810.db2.gz KQBBLXCBIGNZAR-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO C[N@H+](C/C=C/Cl)C[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001398468449 1160900948 /nfs/dbraw/zinc/90/09/48/1160900948.db2.gz VIRYYDNNZSUGEC-ZKKXHLJNSA-N 1 3 313.873 2.005 20 0 DEADHO C[N@@H+](C/C=C/Cl)C[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001398468449 1160900966 /nfs/dbraw/zinc/90/09/66/1160900966.db2.gz VIRYYDNNZSUGEC-ZKKXHLJNSA-N 1 3 313.873 2.005 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H](C[N@H+](C)C/C=C/Cl)C1 ZINC001398471500 1160904895 /nfs/dbraw/zinc/90/48/95/1160904895.db2.gz UYXQSVKDZWRAQX-VFADXPBXSA-N 1 3 315.889 2.251 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H](C[N@@H+](C)C/C=C/Cl)C1 ZINC001398471500 1160904902 /nfs/dbraw/zinc/90/49/02/1160904902.db2.gz UYXQSVKDZWRAQX-VFADXPBXSA-N 1 3 315.889 2.251 20 0 DEADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1)CC(C)(C)C ZINC001398551375 1160969668 /nfs/dbraw/zinc/96/96/68/1160969668.db2.gz DBSPVZZCSBRLJO-QAQDUYKDSA-N 1 3 317.477 2.401 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001398611475 1161016244 /nfs/dbraw/zinc/01/62/44/1161016244.db2.gz LSPLNZFBEOYGOA-KSZLIROESA-N 1 3 317.477 2.318 20 0 DEADHO Cc1ccccc1CN(C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001399501768 1161429562 /nfs/dbraw/zinc/42/95/62/1161429562.db2.gz KAUIPBUVOGQDPH-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO Cc1ccccc1CN(C)CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001399501768 1161429565 /nfs/dbraw/zinc/42/95/65/1161429565.db2.gz KAUIPBUVOGQDPH-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO Cc1cccc(CN(C)CCNC(=O)CC[NH+]2CCCCC2)c1 ZINC001399656744 1161506556 /nfs/dbraw/zinc/50/65/56/1161506556.db2.gz RRESXAYBJIZAIX-UHFFFAOYSA-N 1 3 317.477 2.419 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](CC1CCCCC1)C1CC1)N(C)C ZINC001400037480 1161638876 /nfs/dbraw/zinc/63/88/76/1161638876.db2.gz IANWOSRGLNAOAI-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](CC1CCCCC1)C1CC1)N(C)C ZINC001400037480 1161638878 /nfs/dbraw/zinc/63/88/78/1161638878.db2.gz IANWOSRGLNAOAI-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO C[NH+](C)CCCC(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001400598592 1161780254 /nfs/dbraw/zinc/78/02/54/1161780254.db2.gz QLYMEXDALUPZPM-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CC[C@@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CC1CC1 ZINC001400867011 1161837713 /nfs/dbraw/zinc/83/77/13/1161837713.db2.gz UTMNPDDQOSBAIC-YOEHRIQHSA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)[C@H](C)CNCc1ccccc1F)[NH+](C)C ZINC001401264052 1161909121 /nfs/dbraw/zinc/90/91/21/1161909121.db2.gz UWBURNVMLMCNPB-PBHICJAKSA-N 1 3 323.456 2.348 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001401659693 1162063320 /nfs/dbraw/zinc/06/33/20/1162063320.db2.gz OKJNASDSCNFXQN-OAHLLOKOSA-N 1 3 317.477 2.111 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC(C)C)C2 ZINC001401998207 1162211035 /nfs/dbraw/zinc/21/10/35/1162211035.db2.gz IJJLDIGEVYGNHW-SFHVURJKSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC(C)C)C2 ZINC001401998207 1162211040 /nfs/dbraw/zinc/21/10/40/1162211040.db2.gz IJJLDIGEVYGNHW-SFHVURJKSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC001402052567 1162229307 /nfs/dbraw/zinc/22/93/07/1162229307.db2.gz SVSKBSQYFOXEID-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C1CC[NH+](CC[C@@H](C)F)CC1)N(C)C ZINC001403982703 1163351247 /nfs/dbraw/zinc/35/12/47/1163351247.db2.gz HBQVHKHJGXTTQY-IJEWVQPXSA-N 1 3 315.477 2.291 20 0 DEADHO Cc1ccccc1[C@H](C)[NH+]1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001404946683 1163867222 /nfs/dbraw/zinc/86/72/22/1163867222.db2.gz NCASOZCGKYZPPJ-INIZCTEOSA-N 1 3 317.477 2.444 20 0 DEADHO CC[C@H](C(=O)NCCC1CC[NH+](CC[C@H](C)F)CC1)N(C)C ZINC001405568158 1164153074 /nfs/dbraw/zinc/15/30/74/1164153074.db2.gz RPMXMOCYPGEORJ-GOEBONIOSA-N 1 3 315.477 2.293 20 0 DEADHO CCCC[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)C(C)C)CC2 ZINC001405634950 1164168393 /nfs/dbraw/zinc/16/83/93/1164168393.db2.gz VDZUDAPOAQEWHB-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@H+]1CCC2(C1)CCN(C(=O)CN(C)C(C)C)CC2 ZINC001405634950 1164168401 /nfs/dbraw/zinc/16/84/01/1164168401.db2.gz VDZUDAPOAQEWHB-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@H](C[NH2+]CC1CC1)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001405871783 1164303182 /nfs/dbraw/zinc/30/31/82/1164303182.db2.gz RRWDSEDGOZIKDQ-DYVFJYSZSA-N 1 3 313.461 2.045 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)c(C)c1 ZINC001406364581 1164554634 /nfs/dbraw/zinc/55/46/34/1164554634.db2.gz JSCXYQOJYTUGBA-AEFFLSMTSA-N 1 3 319.493 2.484 20 0 DEADHO Cc1cc(CN(C)C[C@H](C)NC(=O)CC[NH+](C)C)c(C)s1 ZINC001406656063 1164768615 /nfs/dbraw/zinc/76/86/15/1164768615.db2.gz RLZDXAGCZGYQPI-LBPRGKRZSA-N 1 3 311.495 2.253 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN(C)Cc1ccc(F)cc1C ZINC001406683810 1164789271 /nfs/dbraw/zinc/78/92/71/1164789271.db2.gz BQZSYMPFXWAIHE-OAHLLOKOSA-N 1 3 323.456 2.412 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN(C)Cc1ccc(F)cc1C ZINC001406683810 1164789276 /nfs/dbraw/zinc/78/92/76/1164789276.db2.gz BQZSYMPFXWAIHE-OAHLLOKOSA-N 1 3 323.456 2.412 20 0 DEADHO CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001407004337 1164919837 /nfs/dbraw/zinc/91/98/37/1164919837.db2.gz IFKNRDKKFXBORR-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001407004337 1164919847 /nfs/dbraw/zinc/91/98/47/1164919847.db2.gz IFKNRDKKFXBORR-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1nc[nH]c1C)C2 ZINC001407529158 1165184660 /nfs/dbraw/zinc/18/46/60/1165184660.db2.gz GMQXMISJYMOLDF-MUJYYYPQSA-N 1 3 318.465 2.420 20 0 DEADHO CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1nc[nH]c1C)C2 ZINC001407529158 1165184661 /nfs/dbraw/zinc/18/46/61/1165184661.db2.gz GMQXMISJYMOLDF-MUJYYYPQSA-N 1 3 318.465 2.420 20 0 DEADHO C[NH+](C)CCC(=O)N1CCCC[C@@H]1CNCc1ccccc1F ZINC001407762783 1165294989 /nfs/dbraw/zinc/29/49/89/1165294989.db2.gz AMMHISIAGHRVRI-MRXNPFEDSA-N 1 3 321.440 2.248 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC1CC1)N(C)C ZINC001408312297 1165582172 /nfs/dbraw/zinc/58/21/72/1165582172.db2.gz SULGIRBAXBVJTB-KZNAEPCWSA-N 1 3 315.461 2.108 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001417772739 1167203597 /nfs/dbraw/zinc/20/35/97/1167203597.db2.gz DLWQBKYMKXJTBQ-FZNQNYSPSA-N 1 3 321.440 2.152 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001417772739 1167203602 /nfs/dbraw/zinc/20/36/02/1167203602.db2.gz DLWQBKYMKXJTBQ-FZNQNYSPSA-N 1 3 321.440 2.152 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001417797792 1167220054 /nfs/dbraw/zinc/22/00/54/1167220054.db2.gz JHQXHQSRGBFXJX-XIRDDKMYSA-N 1 3 321.509 2.391 20 0 DEADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](C)CC ZINC001418085851 1167403026 /nfs/dbraw/zinc/40/30/26/1167403026.db2.gz NPSCMTYNTMXLOB-MGNMYUMUSA-N 1 3 309.498 2.486 20 0 DEADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)CC ZINC001418085851 1167403029 /nfs/dbraw/zinc/40/30/29/1167403029.db2.gz NPSCMTYNTMXLOB-MGNMYUMUSA-N 1 3 309.498 2.486 20 0 DEADHO CCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001418174658 1167460706 /nfs/dbraw/zinc/46/07/06/1167460706.db2.gz MVZFDVBFVDBALR-HIFRSBDPSA-N 1 3 306.454 2.277 20 0 DEADHO CCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001418174658 1167460710 /nfs/dbraw/zinc/46/07/10/1167460710.db2.gz MVZFDVBFVDBALR-HIFRSBDPSA-N 1 3 306.454 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001418430617 1167650269 /nfs/dbraw/zinc/65/02/69/1167650269.db2.gz XEAYHKLPUJLYCQ-GFCCVEGCSA-N 1 3 306.454 2.181 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](C)CC1CCC2(CC2)CC1)N(C)C ZINC001418473255 1167685592 /nfs/dbraw/zinc/68/55/92/1167685592.db2.gz FCIZRVKAKVWHSR-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](C)CC1CCC2(CC2)CC1)N(C)C ZINC001418473255 1167685596 /nfs/dbraw/zinc/68/55/96/1167685596.db2.gz FCIZRVKAKVWHSR-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CC[N@H+](CCc2cccs2)C1)N(C)C ZINC001418680678 1167883254 /nfs/dbraw/zinc/88/32/54/1167883254.db2.gz ICVFGGCDKRNDEH-GDBMZVCRSA-N 1 3 323.506 2.069 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CC[N@@H+](CCc2cccs2)C1)N(C)C ZINC001418680678 1167883258 /nfs/dbraw/zinc/88/32/58/1167883258.db2.gz ICVFGGCDKRNDEH-GDBMZVCRSA-N 1 3 323.506 2.069 20 0 DEADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC001418909341 1168061024 /nfs/dbraw/zinc/06/10/24/1168061024.db2.gz UPHQXGNSVDUEMK-MSOLQXFVSA-N 1 3 317.477 2.355 20 0 DEADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC001418909341 1168061027 /nfs/dbraw/zinc/06/10/27/1168061027.db2.gz UPHQXGNSVDUEMK-MSOLQXFVSA-N 1 3 317.477 2.355 20 0 DEADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCCC1 ZINC001419056839 1168162592 /nfs/dbraw/zinc/16/25/92/1168162592.db2.gz VWSIOYHALKNLPF-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CCCN(C)CC(=O)N1CCC2(C[NH+](CC3CCC3)C2)CC1 ZINC001419636020 1168720032 /nfs/dbraw/zinc/72/00/32/1168720032.db2.gz NHPQXJFELABIAB-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C2(N(C)C)CCC2)cc1 ZINC001419665807 1168778960 /nfs/dbraw/zinc/77/89/60/1168778960.db2.gz KCRHIJYJHYDIBF-INIZCTEOSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001419694334 1168806428 /nfs/dbraw/zinc/80/64/28/1168806428.db2.gz GLAQFFRDJHRTEN-DOTOQJQBSA-N 1 3 303.450 2.026 20 0 DEADHO CC[N@H+](C)CCC(=O)N(C)CCN(C)Cc1ccccc1C ZINC001420033195 1169085977 /nfs/dbraw/zinc/08/59/77/1169085977.db2.gz CNXNIOAIMNQDIZ-UHFFFAOYSA-N 1 3 305.466 2.227 20 0 DEADHO CC[N@@H+](C)CCC(=O)N(C)CCN(C)Cc1ccccc1C ZINC001420033195 1169085987 /nfs/dbraw/zinc/08/59/87/1169085987.db2.gz CNXNIOAIMNQDIZ-UHFFFAOYSA-N 1 3 305.466 2.227 20 0 DEADHO Cc1cccc(C)c1C[N@@H+](C)CCNC(=O)CN(C)C1CCC1 ZINC001420242476 1169273321 /nfs/dbraw/zinc/27/33/21/1169273321.db2.gz GOGGQTKRSNLNHN-UHFFFAOYSA-N 1 3 317.477 2.336 20 0 DEADHO Cc1cccc(C)c1C[N@H+](C)CCNC(=O)CN(C)C1CCC1 ZINC001420242476 1169273332 /nfs/dbraw/zinc/27/33/32/1169273332.db2.gz GOGGQTKRSNLNHN-UHFFFAOYSA-N 1 3 317.477 2.336 20 0 DEADHO C[C@H](c1ccccc1)[N@H+](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001420296639 1169331893 /nfs/dbraw/zinc/33/18/93/1169331893.db2.gz QYIAHHPJHOIJHU-JKSUJKDBSA-N 1 3 303.450 2.137 20 0 DEADHO C[C@H](c1ccccc1)[N@@H+](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001420296639 1169331904 /nfs/dbraw/zinc/33/19/04/1169331904.db2.gz QYIAHHPJHOIJHU-JKSUJKDBSA-N 1 3 303.450 2.137 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1CC(F)(F)C1 ZINC001420376414 1169432013 /nfs/dbraw/zinc/43/20/13/1169432013.db2.gz JTHVDMFWGPGKQH-OCCSQVGLSA-N 1 3 317.424 2.000 20 0 DEADHO CC[N@H+](CCNC(=O)CN(C)C(C)C)Cc1ccc(F)cc1C ZINC001420450956 1169573796 /nfs/dbraw/zinc/57/37/96/1169573796.db2.gz LEOVCUAYECSOMZ-UHFFFAOYSA-N 1 3 323.456 2.412 20 0 DEADHO CC[N@@H+](CCNC(=O)CN(C)C(C)C)Cc1ccc(F)cc1C ZINC001420450956 1169573804 /nfs/dbraw/zinc/57/38/04/1169573804.db2.gz LEOVCUAYECSOMZ-UHFFFAOYSA-N 1 3 323.456 2.412 20 0 DEADHO CCCN(CCNC(=O)C12CC[NH+](CC1)C2)Cc1ccsc1 ZINC001420622587 1169834625 /nfs/dbraw/zinc/83/46/25/1169834625.db2.gz VEZGJOLTEJMBAI-UHFFFAOYSA-N 1 3 321.490 2.172 20 0 DEADHO CC(C)CCCN1CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001420850973 1171280327 /nfs/dbraw/zinc/28/03/27/1171280327.db2.gz QSKGGVATIUZZSF-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001420996305 1171414285 /nfs/dbraw/zinc/41/42/85/1171414285.db2.gz VSGUEDCJFBBCQQ-OAGGEKHMSA-N 1 3 307.482 2.003 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+][C@@H]2CCc3ccccc32)CC1 ZINC001421007683 1171424288 /nfs/dbraw/zinc/42/42/88/1171424288.db2.gz YFQFGCGOTWFCHK-QGZVFWFLSA-N 1 3 315.461 2.253 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C(C)C ZINC001421142263 1171525642 /nfs/dbraw/zinc/52/56/42/1171525642.db2.gz YQZPZIVOKCJIRL-SFHVURJKSA-N 1 3 317.477 2.416 20 0 DEADHO CC(C)c1ccccc1CN1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001421240467 1171628176 /nfs/dbraw/zinc/62/81/76/1171628176.db2.gz RDUZGGSYFGBSJQ-KRWDZBQOSA-N 1 3 317.477 2.452 20 0 DEADHO CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CN(C)C(C)C ZINC001422220705 1172408117 /nfs/dbraw/zinc/40/81/17/1172408117.db2.gz QRVUVHZDCKDFRH-SJLPKXTDSA-N 1 3 303.450 2.108 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21)N(C)C ZINC001422844277 1172883767 /nfs/dbraw/zinc/88/37/67/1172883767.db2.gz PYVKNRHDJWURAQ-FJIDUMEYSA-N 1 3 321.509 2.057 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CCCC3)C[C@H]21)N(C)C ZINC001422844277 1172883768 /nfs/dbraw/zinc/88/37/68/1172883768.db2.gz PYVKNRHDJWURAQ-FJIDUMEYSA-N 1 3 321.509 2.057 20 0 DEADHO COc1cc(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(OC)c1 ZINC001422974116 1172988283 /nfs/dbraw/zinc/98/82/83/1172988283.db2.gz RYNKFSAOMKRHAN-CVEARBPZSA-N 1 3 304.434 2.463 20 0 DEADHO COc1cc(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc(OC)c1 ZINC001422974116 1172988292 /nfs/dbraw/zinc/98/82/92/1172988292.db2.gz RYNKFSAOMKRHAN-CVEARBPZSA-N 1 3 304.434 2.463 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CC2CCCCC2)C[C@@H]1C ZINC001423342331 1173266847 /nfs/dbraw/zinc/26/68/47/1173266847.db2.gz DCRHCOAOJWOSLJ-RDJZCZTQSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC001424789944 1173933305 /nfs/dbraw/zinc/93/33/05/1173933305.db2.gz GPRXWKVFZNHFBU-KBPBESRZSA-N 1 3 321.440 2.293 20 0 DEADHO C[C@@H]([NH2+]Cc1ccsc1)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001424805666 1173944722 /nfs/dbraw/zinc/94/47/22/1173944722.db2.gz VFCUKQSJYXQJQU-OLZOCXBDSA-N 1 3 309.479 2.215 20 0 DEADHO C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)N(C)Cc1ccccc1 ZINC001424958102 1174058793 /nfs/dbraw/zinc/05/87/93/1174058793.db2.gz AXCQFRPSJYMNPA-SJLPKXTDSA-N 1 3 317.477 2.498 20 0 DEADHO C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)N(C)Cc1ccccc1 ZINC001424958102 1174058798 /nfs/dbraw/zinc/05/87/98/1174058798.db2.gz AXCQFRPSJYMNPA-SJLPKXTDSA-N 1 3 317.477 2.498 20 0 DEADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)Cc1ccc(F)cc1 ZINC001425007662 1174102503 /nfs/dbraw/zinc/10/25/03/1174102503.db2.gz XWEITBGPDDCXOH-AWEZNQCLSA-N 1 3 321.440 2.104 20 0 DEADHO CC[C@H](F)CN1CCCCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001425188105 1174217514 /nfs/dbraw/zinc/21/75/14/1174217514.db2.gz AIEZYKVNAZBZSQ-HOTGVXAUSA-N 1 3 315.477 2.437 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C1C[NH+](Cc2ccccc2C)C1 ZINC001425260586 1174264849 /nfs/dbraw/zinc/26/48/49/1174264849.db2.gz ANMDTKZCRONGQB-MRXNPFEDSA-N 1 3 317.477 2.273 20 0 DEADHO C[C@H](CN(C)C(=O)CCC[NH+](C)C)NCc1ccccc1F ZINC001425621885 1174410033 /nfs/dbraw/zinc/41/00/33/1174410033.db2.gz CGIXOCZVJYZMBZ-CQSZACIVSA-N 1 3 309.429 2.104 20 0 DEADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCc2ccccc2F)C[C@@H]1C ZINC001425915963 1174510679 /nfs/dbraw/zinc/51/06/79/1174510679.db2.gz NUDNYLJCGYBZME-GOEBONIOSA-N 1 3 321.440 2.247 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCc2ccccc2F)C[C@@H]1C ZINC001425915963 1174510686 /nfs/dbraw/zinc/51/06/86/1174510686.db2.gz NUDNYLJCGYBZME-GOEBONIOSA-N 1 3 321.440 2.247 20 0 DEADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(-n3cncn3)c(C)c2)C1 ZINC001434501520 1178687170 /nfs/dbraw/zinc/68/71/70/1178687170.db2.gz WDXBNNCAZKNNJV-QGZVFWFLSA-N 1 3 313.449 2.397 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1C[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001436405888 1179082695 /nfs/dbraw/zinc/08/26/95/1179082695.db2.gz VGBPZXHLJISLSY-SAABIXHNSA-N 1 3 317.477 2.320 20 0 DEADHO CCCN(C)CC(=O)N1CCCCC[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001436476232 1179130680 /nfs/dbraw/zinc/13/06/80/1179130680.db2.gz MYHVAOIRAYDROF-SOIVGHGOSA-N 1 3 315.889 2.442 20 0 DEADHO C[C@@H](NCCF)[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001436662635 1179171869 /nfs/dbraw/zinc/17/18/69/1179171869.db2.gz DVPVSJMKFTUEFK-HZPDHXFCSA-N 1 3 313.461 2.191 20 0 DEADHO CN(C)C1(C(=O)N(C)C2CC[NH+](CCC3CC3)CC2)CCC1 ZINC001436670534 1179178596 /nfs/dbraw/zinc/17/85/96/1179178596.db2.gz YWNRFQQHKCLZIH-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001436974777 1179325002 /nfs/dbraw/zinc/32/50/02/1179325002.db2.gz GODQEBFBHFFTKM-XHSDSOJGSA-N 1 3 307.482 2.144 20 0 DEADHO CCc1cccc(C[N@@H+](C)CCNC(=O)[C@@H](CC)N(C)C)c1 ZINC001437485803 1179820457 /nfs/dbraw/zinc/82/04/57/1179820457.db2.gz PEYMHLSNPJCRAO-QGZVFWFLSA-N 1 3 305.466 2.137 20 0 DEADHO CCc1cccc(C[N@H+](C)CCNC(=O)[C@@H](CC)N(C)C)c1 ZINC001437485803 1179820459 /nfs/dbraw/zinc/82/04/59/1179820459.db2.gz PEYMHLSNPJCRAO-QGZVFWFLSA-N 1 3 305.466 2.137 20 0 DEADHO CN(CCNC(=O)CC[NH+](C)C)Cc1ccccc1C1CC1 ZINC001437516163 1179831964 /nfs/dbraw/zinc/83/19/64/1179831964.db2.gz PNHFAIWMIAFXPY-UHFFFAOYSA-N 1 3 303.450 2.064 20 0 DEADHO CCCN(C)CC(=O)NCC[N@H+](C)[C@H](C)c1cccc(C)c1 ZINC001437552456 1179844152 /nfs/dbraw/zinc/84/41/52/1179844152.db2.gz UUECMEXASOISBV-MRXNPFEDSA-N 1 3 305.466 2.446 20 0 DEADHO CCCN(C)CC(=O)NCC[N@@H+](C)[C@H](C)c1cccc(C)c1 ZINC001437552456 1179844155 /nfs/dbraw/zinc/84/41/55/1179844155.db2.gz UUECMEXASOISBV-MRXNPFEDSA-N 1 3 305.466 2.446 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](CC)Cc1ccccc1 ZINC001437648066 1179875806 /nfs/dbraw/zinc/87/58/06/1179875806.db2.gz FOSJNDKTXBUZGS-GOSISDBHSA-N 1 3 317.477 2.499 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](CC)Cc1ccccc1 ZINC001437648066 1179875807 /nfs/dbraw/zinc/87/58/07/1179875807.db2.gz FOSJNDKTXBUZGS-GOSISDBHSA-N 1 3 317.477 2.499 20 0 DEADHO CCC(CC)C[N@@H+]1CC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001437729413 1179913446 /nfs/dbraw/zinc/91/34/46/1179913446.db2.gz STNXJFKKLSZLMW-NVXWUHKLSA-N 1 3 309.498 2.203 20 0 DEADHO CCC(CC)C[N@H+]1CC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001437729413 1179913461 /nfs/dbraw/zinc/91/34/61/1179913461.db2.gz STNXJFKKLSZLMW-NVXWUHKLSA-N 1 3 309.498 2.203 20 0 DEADHO CCCN(C(=O)C1(C[NH+](C)C)CC1)[C@H]1CCN(CCCF)C1 ZINC001437901484 1180060248 /nfs/dbraw/zinc/06/02/48/1180060248.db2.gz CMXIQVUXZCBHED-HNNXBMFYSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@@H](C(=O)N(CC)[C@@H]1CC[N@H+](CC2CC2)C1)N(CC)CC ZINC001438263323 1180301411 /nfs/dbraw/zinc/30/14/11/1180301411.db2.gz GACBWPKXONYFSL-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C(=O)N(CC)[C@@H]1CC[N@@H+](CC2CC2)C1)N(CC)CC ZINC001438263323 1180301423 /nfs/dbraw/zinc/30/14/23/1180301423.db2.gz GACBWPKXONYFSL-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)[C@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]C/C=C\Cl ZINC001438841442 1180828485 /nfs/dbraw/zinc/82/84/85/1180828485.db2.gz NIUGZXWXRRZWHU-XQYKZARXSA-N 1 3 303.878 2.056 20 0 DEADHO CN(C)Cc1cccc(C(=O)N(C)CC[N@H+](C)CCCF)c1 ZINC001438936936 1180858742 /nfs/dbraw/zinc/85/87/42/1180858742.db2.gz JADSAZNFFLRMGF-UHFFFAOYSA-N 1 3 309.429 2.112 20 0 DEADHO CN(C)Cc1cccc(C(=O)N(C)CC[N@@H+](C)CCCF)c1 ZINC001438936936 1180858745 /nfs/dbraw/zinc/85/87/45/1180858745.db2.gz JADSAZNFFLRMGF-UHFFFAOYSA-N 1 3 309.429 2.112 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CNCc1cncs1 ZINC001439257631 1180971544 /nfs/dbraw/zinc/97/15/44/1180971544.db2.gz MWPVOCKUODMRLP-ZFWWWQNUSA-N 1 3 324.494 2.000 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CNCc1cncs1 ZINC001439257631 1180971555 /nfs/dbraw/zinc/97/15/55/1180971555.db2.gz MWPVOCKUODMRLP-ZFWWWQNUSA-N 1 3 324.494 2.000 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)c1cccc(F)c1 ZINC001439274547 1180983845 /nfs/dbraw/zinc/98/38/45/1180983845.db2.gz NXIDKMNYSGGJCZ-UONOGXRCSA-N 1 3 309.429 2.323 20 0 DEADHO CC(C)CCCN1CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001439562273 1181145828 /nfs/dbraw/zinc/14/58/28/1181145828.db2.gz RBRKCCXQOFYWQP-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@H+](C[C@@H](C)CC)C2)C1 ZINC001439717015 1181208778 /nfs/dbraw/zinc/20/87/78/1181208778.db2.gz LRFIHARIBSBDKW-WMZOPIPTSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@@H+](C[C@@H](C)CC)C2)C1 ZINC001439717015 1181208781 /nfs/dbraw/zinc/20/87/81/1181208781.db2.gz LRFIHARIBSBDKW-WMZOPIPTSA-N 1 3 309.498 2.299 20 0 DEADHO CN(CC(=O)NC[C@@]1(C)CCC[N@H+](CC2CC2)C1)C1CCC1 ZINC001439931862 1181311785 /nfs/dbraw/zinc/31/17/85/1181311785.db2.gz KRVQAQKSSZYEFN-GOSISDBHSA-N 1 3 307.482 2.099 20 0 DEADHO CN(CC(=O)NC[C@@]1(C)CCC[N@@H+](CC2CC2)C1)C1CCC1 ZINC001439931862 1181311794 /nfs/dbraw/zinc/31/17/94/1181311794.db2.gz KRVQAQKSSZYEFN-GOSISDBHSA-N 1 3 307.482 2.099 20 0 DEADHO CC[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001440336022 1181452893 /nfs/dbraw/zinc/45/28/93/1181452893.db2.gz TUBAGRZEVFCKRK-QBPKDAKJSA-N 1 3 309.498 2.390 20 0 DEADHO CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](F)CN(CC)CC ZINC001440718636 1181651124 /nfs/dbraw/zinc/65/11/24/1181651124.db2.gz DQOHKWHSJDCWNI-BRWVUGGUSA-N 1 3 321.440 2.058 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]Cc1ccccc1F ZINC001440801197 1181699581 /nfs/dbraw/zinc/69/95/81/1181699581.db2.gz SHLHSYXUBFTHIZ-UONOGXRCSA-N 1 3 321.440 2.293 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1C)N(C)C ZINC001440991681 1181815789 /nfs/dbraw/zinc/81/57/89/1181815789.db2.gz ADWGVIZJHNKPKW-WBVHZDCISA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1C)N(C)C ZINC001440991681 1181815794 /nfs/dbraw/zinc/81/57/94/1181815794.db2.gz ADWGVIZJHNKPKW-WBVHZDCISA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21)N(C)C ZINC001441283739 1181927939 /nfs/dbraw/zinc/92/79/39/1181927939.db2.gz PLCKJZNXBIAUMM-FJIDUMEYSA-N 1 3 321.509 2.201 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CCC3CCCC3)C[C@H]21)N(C)C ZINC001441283739 1181927940 /nfs/dbraw/zinc/92/79/40/1181927940.db2.gz PLCKJZNXBIAUMM-FJIDUMEYSA-N 1 3 321.509 2.201 20 0 DEADHO CC[C@H](F)CN(C)C[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001441304065 1181939386 /nfs/dbraw/zinc/93/93/86/1181939386.db2.gz SJBHVEZRWZYJFB-HOTGVXAUSA-N 1 3 315.477 2.247 20 0 DEADHO CC[C@H](F)CN(C)C[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001441304065 1181939391 /nfs/dbraw/zinc/93/93/91/1181939391.db2.gz SJBHVEZRWZYJFB-HOTGVXAUSA-N 1 3 315.477 2.247 20 0 DEADHO CC[C@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001441329632 1181946016 /nfs/dbraw/zinc/94/60/16/1181946016.db2.gz ZEAYDXGVIYBPPA-HRCADAONSA-N 1 3 307.482 2.050 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]CC(C)C)C1CC1 ZINC001441431770 1181991285 /nfs/dbraw/zinc/99/12/85/1181991285.db2.gz JRACILGFUHRQMH-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC001441913681 1182248476 /nfs/dbraw/zinc/24/84/76/1182248476.db2.gz DOGMMJBTJALMQZ-UONOGXRCSA-N 1 3 313.461 2.045 20 0 DEADHO C[C@H](CNC(=O)CCC[NH+](C)C)N[C@@H](C)c1ccccc1F ZINC001441948094 1182264886 /nfs/dbraw/zinc/26/48/86/1182264886.db2.gz AGEMWQVKNWHUCC-KGLIPLIRSA-N 1 3 309.429 2.323 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C1CC[NH+](C[C@@H](F)CC)CC1)N(C)C ZINC001442194483 1182361759 /nfs/dbraw/zinc/36/17/59/1182361759.db2.gz JPOMWUKUJXBHGX-VNQPRFMTSA-N 1 3 315.477 2.291 20 0 DEADHO C[C@@H](NC(=O)CN(C)C1CCC1)C1CC[NH+](CCCF)CC1 ZINC001442197270 1182362858 /nfs/dbraw/zinc/36/28/58/1182362858.db2.gz UVHXBFFOPPSNDL-CQSZACIVSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H](F)CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001442888789 1182769803 /nfs/dbraw/zinc/76/98/03/1182769803.db2.gz QECKJZVJMSKMOV-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H](F)CC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001442888789 1182769809 /nfs/dbraw/zinc/76/98/09/1182769809.db2.gz QECKJZVJMSKMOV-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H]([NH2+]CCC1CC1)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001443124567 1182854675 /nfs/dbraw/zinc/85/46/75/1182854675.db2.gz PVIIJHZCYCVNEX-CVEARBPZSA-N 1 3 321.509 2.345 20 0 DEADHO CCc1cccc(CN2CC[C@@H](N(C)C(=O)CC[NH+](C)C)C2)c1 ZINC001443818691 1183146192 /nfs/dbraw/zinc/14/61/92/1183146192.db2.gz OARKUDSHPAKAHT-GOSISDBHSA-N 1 3 317.477 2.233 20 0 DEADHO CCc1cccc(CN2CC[C@H](N(C)C(=O)CC[NH+](C)C)C2)c1 ZINC001443818698 1183146459 /nfs/dbraw/zinc/14/64/59/1183146459.db2.gz OARKUDSHPAKAHT-SFHVURJKSA-N 1 3 317.477 2.233 20 0 DEADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+][C@H]1CCc2ccccc21 ZINC001444047742 1183273274 /nfs/dbraw/zinc/27/32/74/1183273274.db2.gz WWGSXCJOHSUKBL-AEFFLSMTSA-N 1 3 317.477 2.499 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C[NH2+]CC1CC1)C1CCCCC1)N(C)C ZINC001444773018 1183549534 /nfs/dbraw/zinc/54/95/34/1183549534.db2.gz GBVXXCHAHCANEX-DLBZAZTESA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccsc2)[C@H](C)C1 ZINC001444785191 1183554237 /nfs/dbraw/zinc/55/42/37/1183554237.db2.gz INBRUOFSKCVYGX-ZBFHGGJFSA-N 1 3 323.506 2.415 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1CC(F)(F)C1 ZINC001445380842 1183854895 /nfs/dbraw/zinc/85/48/95/1183854895.db2.gz RZALMRACSMKRDT-OCCSQVGLSA-N 1 3 317.424 2.000 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@H]1CCc2c1cccc2F ZINC001445482708 1183884222 /nfs/dbraw/zinc/88/42/22/1183884222.db2.gz QKYJFYMKKYKHGV-DYVFJYSZSA-N 1 3 321.440 2.249 20 0 DEADHO C[C@H]1C[C@@H](C(=O)NCC2(NCc3ccccc3)CC2)CC[N@@H+]1C ZINC001446232620 1184278280 /nfs/dbraw/zinc/27/82/80/1184278280.db2.gz IQNKHXNQRKQOQL-RDJZCZTQSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H]1C[C@@H](C(=O)NCC2(NCc3ccccc3)CC2)CC[N@H+]1C ZINC001446232620 1184278288 /nfs/dbraw/zinc/27/82/88/1184278288.db2.gz IQNKHXNQRKQOQL-RDJZCZTQSA-N 1 3 315.461 2.155 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](C/C=C\Cl)C2 ZINC001446921620 1184578973 /nfs/dbraw/zinc/57/89/73/1184578973.db2.gz GZNUMDCKCOMWJE-VMPYYGSESA-N 1 3 313.873 2.048 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C/C=C\Cl)C2 ZINC001446921620 1184578979 /nfs/dbraw/zinc/57/89/79/1184578979.db2.gz GZNUMDCKCOMWJE-VMPYYGSESA-N 1 3 313.873 2.048 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)CC1CCCCC1 ZINC001448049085 1185046403 /nfs/dbraw/zinc/04/64/03/1185046403.db2.gz XVHSDGNNJJMXMR-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)CC1CCCCC1 ZINC001448049085 1185046407 /nfs/dbraw/zinc/04/64/07/1185046407.db2.gz XVHSDGNNJJMXMR-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1ccc(F)c(CN[C@H](C)CN(C)C(=O)CCC[NH+](C)C)c1 ZINC001448726176 1185385240 /nfs/dbraw/zinc/38/52/40/1185385240.db2.gz CNEKWJZHOACMDP-OAHLLOKOSA-N 1 3 323.456 2.412 20 0 DEADHO C[C@@H]1[C@H]([NH2+]C/C=C/c2ccccc2)CCN1C(=O)Cc1c[nH]cn1 ZINC001448976654 1185468572 /nfs/dbraw/zinc/46/85/72/1185468572.db2.gz GMNUQUMUKVFAEH-ZEDVSWOJSA-N 1 3 324.428 2.245 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@H](NC(=O)CN(C)C1CCC1)C(C)(C)C ZINC001449291743 1185628647 /nfs/dbraw/zinc/62/86/47/1185628647.db2.gz JBRFHGDOEKRSGW-HIFRSBDPSA-N 1 3 315.477 2.339 20 0 DEADHO NCc1cc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ncn1 ZINC001164626028 719070279 /nfs/dbraw/zinc/07/02/79/719070279.db2.gz NYNVQPFAUXRSQR-FUHWJXTLSA-N 1 3 323.444 2.036 20 0 DEADHO NCc1cc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ncn1 ZINC001164626028 719070282 /nfs/dbraw/zinc/07/02/82/719070282.db2.gz NYNVQPFAUXRSQR-FUHWJXTLSA-N 1 3 323.444 2.036 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1)N(C)C ZINC001370717162 1149829146 /nfs/dbraw/zinc/82/91/46/1149829146.db2.gz ZVIBBOJSDIHDJO-IXDOHACOSA-N 1 3 303.450 2.010 20 0 DEADHO C[N@H+](CC1CCC1)C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001089233383 782299022 /nfs/dbraw/zinc/29/90/22/782299022.db2.gz LCJDEBXSWGQPCJ-INIZCTEOSA-N 1 3 304.438 2.065 20 0 DEADHO C[N@@H+](CC1CCC1)C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001089233383 782299029 /nfs/dbraw/zinc/29/90/29/782299029.db2.gz LCJDEBXSWGQPCJ-INIZCTEOSA-N 1 3 304.438 2.065 20 0 DEADHO CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001106281960 782612400 /nfs/dbraw/zinc/61/24/00/782612400.db2.gz NEYFWLKGSTUTKJ-ZACQAIPSSA-N 1 3 309.498 2.223 20 0 DEADHO CC(C)(C(=O)NCCNCc1ccsc1)[NH+]1CCCCC1 ZINC001127322861 782658461 /nfs/dbraw/zinc/65/84/61/782658461.db2.gz YWNSYBOFRZHLGH-UHFFFAOYSA-N 1 3 309.479 2.218 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]CCC1CC1 ZINC001106669087 782843678 /nfs/dbraw/zinc/84/36/78/782843678.db2.gz WIFKIBSFMRNFPR-NVXWUHKLSA-N 1 3 321.509 2.203 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CCC2CC2)CC1 ZINC001206952594 776820459 /nfs/dbraw/zinc/82/04/59/776820459.db2.gz VRYGXRPGBAHGEI-GOSISDBHSA-N 1 3 321.509 2.489 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[NH2+]CCC2CC2)CC1 ZINC001206952595 776821463 /nfs/dbraw/zinc/82/14/63/776821463.db2.gz VRYGXRPGBAHGEI-SFHVURJKSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC=C(C)C)C1)N(C)C ZINC001104348539 777095591 /nfs/dbraw/zinc/09/55/91/777095591.db2.gz JGONCWGRFXJUSR-BRWVUGGUSA-N 1 3 309.498 2.367 20 0 DEADHO CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)N(CC)CC)C1 ZINC001111869659 777243733 /nfs/dbraw/zinc/24/37/33/777243733.db2.gz CUHCSGLRQPUQTR-JZXOWHBKSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)N(CC)CC)C1 ZINC001111869659 777243740 /nfs/dbraw/zinc/24/37/40/777243740.db2.gz CUHCSGLRQPUQTR-JZXOWHBKSA-N 1 3 309.498 2.488 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC2CC2)CC1 ZINC001087230936 777415679 /nfs/dbraw/zinc/41/56/79/777415679.db2.gz VGYARSNPPGFDBU-AEFFLSMTSA-N 1 3 321.509 2.345 20 0 DEADHO CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC001075458292 777427604 /nfs/dbraw/zinc/42/76/04/777427604.db2.gz BFNNBANRMWIFRA-OAHLLOKOSA-N 1 3 318.465 2.313 20 0 DEADHO CC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC001075458292 777427612 /nfs/dbraw/zinc/42/76/12/777427612.db2.gz BFNNBANRMWIFRA-OAHLLOKOSA-N 1 3 318.465 2.313 20 0 DEADHO CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC001075461983 777463674 /nfs/dbraw/zinc/46/36/74/777463674.db2.gz YECPCFWWDLNQQK-KRWDZBQOSA-N 1 3 321.509 2.443 20 0 DEADHO CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC001075461983 777463678 /nfs/dbraw/zinc/46/36/78/777463678.db2.gz YECPCFWWDLNQQK-KRWDZBQOSA-N 1 3 321.509 2.443 20 0 DEADHO CC[C@@H](C(=O)NCC1CC([NH2+]Cc2ccsc2)C1)N(C)C ZINC001100684289 777725375 /nfs/dbraw/zinc/72/53/75/777725375.db2.gz BEUJUTNKKZYGGJ-NRXISQOPSA-N 1 3 309.479 2.073 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1CC[NH2+]CCF ZINC001104682571 778021741 /nfs/dbraw/zinc/02/17/41/778021741.db2.gz WINZEUHDDRIDIW-HUUCEWRRSA-N 1 3 315.477 2.008 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CC(C)C2)C1 ZINC001105067209 778322701 /nfs/dbraw/zinc/32/27/01/778322701.db2.gz RTERAKMXVUWPAH-GPQLOAJWSA-N 1 3 323.525 2.447 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NCC1([NH2+]CCF)CCCCC1 ZINC001115559974 778501591 /nfs/dbraw/zinc/50/15/91/778501591.db2.gz NTTSPAXMYQGCOD-AWEZNQCLSA-N 1 3 319.440 2.045 20 0 DEADHO CC(=O)NCCNC1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168005065 779267618 /nfs/dbraw/zinc/26/76/18/779267618.db2.gz FIWYRECBEZUDEO-GJZGRUSLSA-N 1 3 303.450 2.154 20 0 DEADHO C[C@@H]1C[C@@H](NC[C@@H]2CCC(=O)N2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168008660 779291748 /nfs/dbraw/zinc/29/17/48/779291748.db2.gz FQXHBUFOOAJVJG-MVJTYMMSSA-N 1 3 315.461 2.296 20 0 DEADHO C[C@@H]1C[C@@H](NC[C@@H]2CCC(=O)N2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168008660 779291749 /nfs/dbraw/zinc/29/17/49/779291749.db2.gz FQXHBUFOOAJVJG-MVJTYMMSSA-N 1 3 315.461 2.296 20 0 DEADHO CCC(CO)(CO)NC1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168015582 779344547 /nfs/dbraw/zinc/34/45/47/779344547.db2.gz RNMHZOMBZWXGBB-HZPDHXFCSA-N 1 3 320.477 2.151 20 0 DEADHO C[C@@H]1C[C@@H](NCCn2cncn2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168015479 779344722 /nfs/dbraw/zinc/34/47/22/779344722.db2.gz QUSXGTQHVHFPLI-ALXJQNPVSA-N 1 3 313.449 2.309 20 0 DEADHO C[C@@H]1C[C@@H](NCCn2cncn2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168015479 779344723 /nfs/dbraw/zinc/34/47/23/779344723.db2.gz QUSXGTQHVHFPLI-ALXJQNPVSA-N 1 3 313.449 2.309 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@@H]2[N@H+](CC)CC23CCC3)CC1 ZINC001105396597 779377555 /nfs/dbraw/zinc/37/75/55/779377555.db2.gz QCDXANMOOQDZRD-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@@H]2[N@@H+](CC)CC23CCC3)CC1 ZINC001105396597 779377560 /nfs/dbraw/zinc/37/75/60/779377560.db2.gz QCDXANMOOQDZRD-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1C[C@@H](n2[n-]c(=O)nc2C[NH3+])C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168018333 779379644 /nfs/dbraw/zinc/37/96/44/779379644.db2.gz CYOJLAGDIRXBFW-AGGWBTHJSA-N 1 3 315.421 2.057 20 0 DEADHO C[C@@H]1C[C@@H](n2[n-]c(=O)nc2C[NH3+])C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168018333 779379647 /nfs/dbraw/zinc/37/96/47/779379647.db2.gz CYOJLAGDIRXBFW-AGGWBTHJSA-N 1 3 315.421 2.057 20 0 DEADHO CC[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CC2CCC2)C1)N(C)C ZINC001088334598 779985121 /nfs/dbraw/zinc/98/51/21/779985121.db2.gz LWLLGMLIJSOOCM-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[NH2+][C@@H]1CCCCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001088382074 780052901 /nfs/dbraw/zinc/05/29/01/780052901.db2.gz UGAHQLBCNFVRTA-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCCCC[C@H]([NH2+]CC2CC2)C1 ZINC001088382389 780053411 /nfs/dbraw/zinc/05/34/11/780053411.db2.gz AAIDSOLZKRLYSC-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCCCC[C@@H]([NH2+]CC2CC2)C1 ZINC001088382388 780053725 /nfs/dbraw/zinc/05/37/25/780053725.db2.gz AAIDSOLZKRLYSC-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCCC[C@H]([NH2+]CC2CCC2)C1 ZINC001088390531 780062252 /nfs/dbraw/zinc/06/22/52/780062252.db2.gz PJHOHBAXZQOKLL-HNNXBMFYSA-N 1 3 304.438 2.113 20 0 DEADHO Cc1cc(C[NH2+]C2CC(CNC(=O)CN(C)C(C)C)C2)cs1 ZINC001101036659 780958796 /nfs/dbraw/zinc/95/87/96/780958796.db2.gz XNGFPUGPCBRLIJ-UHFFFAOYSA-N 1 3 323.506 2.381 20 0 DEADHO CC(C)[N@H+]1C[C@@H](CNC(=O)[C@@H](C)N2CCCCCC2)[C@H](C)C1 ZINC001102430615 780973210 /nfs/dbraw/zinc/97/32/10/780973210.db2.gz YPSUYFASBQINLU-BRWVUGGUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)N2CCCCCC2)[C@H](C)C1 ZINC001102430615 780973216 /nfs/dbraw/zinc/97/32/16/780973216.db2.gz YPSUYFASBQINLU-BRWVUGGUSA-N 1 3 309.498 2.343 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001076086262 781110177 /nfs/dbraw/zinc/11/01/77/781110177.db2.gz WFERSVZNBNRFJF-RCCFBDPRSA-N 1 3 319.493 2.194 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001076086262 781110182 /nfs/dbraw/zinc/11/01/82/781110182.db2.gz WFERSVZNBNRFJF-RCCFBDPRSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001127077743 781721080 /nfs/dbraw/zinc/72/10/80/781721080.db2.gz JJFRDYQRUDIZAZ-KGLIPLIRSA-N 1 3 317.424 2.000 20 0 DEADHO Cc1ccc(C)c(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c1 ZINC000967896461 784169315 /nfs/dbraw/zinc/16/93/15/784169315.db2.gz QYQMLLKOSAQGBS-MSOLQXFVSA-N 1 3 315.461 2.088 20 0 DEADHO CCc1cccc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC000967923739 784177463 /nfs/dbraw/zinc/17/74/63/784177463.db2.gz BVTSRFHHNWXVMJ-QZTJIDSGSA-N 1 3 315.461 2.034 20 0 DEADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c(C)c1 ZINC000967926467 784177878 /nfs/dbraw/zinc/17/78/78/784177878.db2.gz VXUDKRRXZNHYCG-MSOLQXFVSA-N 1 3 315.461 2.088 20 0 DEADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1C ZINC000967923681 784178236 /nfs/dbraw/zinc/17/82/36/784178236.db2.gz AVBDHEPBBWWBMC-QZTJIDSGSA-N 1 3 315.461 2.088 20 0 DEADHO CC(C)N1CC[C@@H]1CN(C)C(=O)c1ccccc1C[NH+](C)C ZINC001085987010 784283320 /nfs/dbraw/zinc/28/33/20/784283320.db2.gz RLROFGBQJNNKJL-MRXNPFEDSA-N 1 3 303.450 2.303 20 0 DEADHO CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCN1CC(C)C ZINC000968928285 784653519 /nfs/dbraw/zinc/65/35/19/784653519.db2.gz HDORGHLLOZDLJS-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCN1CC(C)C ZINC000968928285 784653524 /nfs/dbraw/zinc/65/35/24/784653524.db2.gz HDORGHLLOZDLJS-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C1)N(C)C ZINC000969076997 784716251 /nfs/dbraw/zinc/71/62/51/784716251.db2.gz HOBAVPCLUZHIBH-KBRIMQKVSA-N 1 3 321.440 2.417 20 0 DEADHO C[C@@H]1C[C@@H](NCC[C@H]2CCC[N@@H+]2C)CN1C(=O)OC(C)(C)C ZINC001168818251 784927302 /nfs/dbraw/zinc/92/73/02/784927302.db2.gz RJGNCYBIBNKHLY-RBSFLKMASA-N 1 3 311.470 2.458 20 0 DEADHO C[C@@H]1C[C@@H](NCC[C@H]2CCC[N@H+]2C)CN1C(=O)OC(C)(C)C ZINC001168818251 784927306 /nfs/dbraw/zinc/92/73/06/784927306.db2.gz RJGNCYBIBNKHLY-RBSFLKMASA-N 1 3 311.470 2.458 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCN2C)CN1C(=O)OC(C)(C)C ZINC001168818251 784927309 /nfs/dbraw/zinc/92/73/09/784927309.db2.gz RJGNCYBIBNKHLY-RBSFLKMASA-N 1 3 311.470 2.458 20 0 DEADHO Cn1cc(-c2cc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)N4C)ccn2)cn1 ZINC001169099685 785034614 /nfs/dbraw/zinc/03/46/14/785034614.db2.gz DUWRVZHVLXUMQF-OSYLJGHBSA-N 1 3 311.433 2.197 20 0 DEADHO CN(C)CCC[N@H+](C)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169759290 785353546 /nfs/dbraw/zinc/35/35/46/785353546.db2.gz KSOYBJZOYNODRY-KRWDZBQOSA-N 1 3 303.450 2.175 20 0 DEADHO CN(C)CCC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169759290 785353555 /nfs/dbraw/zinc/35/35/55/785353555.db2.gz KSOYBJZOYNODRY-KRWDZBQOSA-N 1 3 303.450 2.175 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001015054721 786879347 /nfs/dbraw/zinc/87/93/47/786879347.db2.gz ZGYUQWJTJAZEEM-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001015054721 786879362 /nfs/dbraw/zinc/87/93/62/786879362.db2.gz ZGYUQWJTJAZEEM-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCNCc1ccsc1 ZINC001129423339 787208414 /nfs/dbraw/zinc/20/84/14/787208414.db2.gz SPPXPLPZVCKEHS-HNNXBMFYSA-N 1 3 309.479 2.217 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCNCc1ccsc1 ZINC001129423339 787208420 /nfs/dbraw/zinc/20/84/20/787208420.db2.gz SPPXPLPZVCKEHS-HNNXBMFYSA-N 1 3 309.479 2.217 20 0 DEADHO CN(C)[C@@H](C(=O)NCC[NH2+][C@@H]1CCCc2ccccc21)C1CC1 ZINC001129444682 787212102 /nfs/dbraw/zinc/21/21/02/787212102.db2.gz XACJNRQUQYTZNM-QZTJIDSGSA-N 1 3 315.461 2.110 20 0 DEADHO CC[C@@H]([NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C)c1ccc(F)cc1 ZINC001129442515 787214775 /nfs/dbraw/zinc/21/47/75/787214775.db2.gz BSXRHFFXHSIVOO-IAGOWNOFSA-N 1 3 321.440 2.323 20 0 DEADHO O=C(NCCNCc1cccc(F)c1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130187428 787308555 /nfs/dbraw/zinc/30/85/55/787308555.db2.gz UWIXTIFZISICBZ-DLBZAZTESA-N 1 3 319.424 2.048 20 0 DEADHO O=C(NCCNCc1cccc(F)c1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001130187428 787308571 /nfs/dbraw/zinc/30/85/71/787308571.db2.gz UWIXTIFZISICBZ-DLBZAZTESA-N 1 3 319.424 2.048 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+]Cc1ccc(CC(C)C)cc1)N(C)C ZINC001130204880 787313643 /nfs/dbraw/zinc/31/36/43/787313643.db2.gz BTDOFTXSFMDTPI-GOSISDBHSA-N 1 3 319.493 2.431 20 0 DEADHO CC[C@@H]([NH2+]CCNC(=O)[C@@H](CC)N(C)C)c1ccc(F)cc1 ZINC001130205751 787315765 /nfs/dbraw/zinc/31/57/65/787315765.db2.gz VHLZBOGVXGIFMR-HZPDHXFCSA-N 1 3 309.429 2.323 20 0 DEADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001096348192 787628208 /nfs/dbraw/zinc/62/82/08/787628208.db2.gz FEQPOSXPUQZECX-NCOADZHNSA-N 1 3 305.466 2.016 20 0 DEADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001096348192 787628210 /nfs/dbraw/zinc/62/82/10/787628210.db2.gz FEQPOSXPUQZECX-NCOADZHNSA-N 1 3 305.466 2.016 20 0 DEADHO C[C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C[NH2+]CCC1CC1 ZINC001132888049 788218879 /nfs/dbraw/zinc/21/88/79/788218879.db2.gz KDAORVCWKBXNJN-RDJZCZTQSA-N 1 3 321.509 2.345 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@H](C)[C@H](C[NH2+]CCCF)C1 ZINC001132938767 788232139 /nfs/dbraw/zinc/23/21/39/788232139.db2.gz YZJVNIKKBWSPCL-LSDHHAIUSA-N 1 3 315.477 2.151 20 0 DEADHO CC(C)[C@H](C(=O)NCC[NH2+][C@@H]1CCc2ccc(F)cc21)N(C)C ZINC001133434191 788429689 /nfs/dbraw/zinc/42/96/89/788429689.db2.gz KITYHHAVDOCUEQ-IAGOWNOFSA-N 1 3 321.440 2.105 20 0 DEADHO Cc1ccc(CCC[NH2+]CCNC(=O)CN2CCC[C@H]2C)cc1 ZINC001133819400 788618361 /nfs/dbraw/zinc/61/83/61/788618361.db2.gz AYAMODZQGWNZEZ-QGZVFWFLSA-N 1 3 317.477 2.118 20 0 DEADHO CC/C=C/CC[NH2+]CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001133856652 788640876 /nfs/dbraw/zinc/64/08/76/788640876.db2.gz MUBFXLALYNJQML-LXXRFIIISA-N 1 3 313.461 2.261 20 0 DEADHO Cc1ccc(C[NH2+]CCNC(=O)CN(C)CC(C)(C)C)c(C)c1 ZINC001133905527 788665977 /nfs/dbraw/zinc/66/59/77/788665977.db2.gz CREXVIBQVBZJTF-UHFFFAOYSA-N 1 3 319.493 2.487 20 0 DEADHO COC[C@H]1CN(CC2CC2)C[C@@]12CC[N@@H+]([C@H]1CCCOCC1)C2 ZINC001170821641 789382745 /nfs/dbraw/zinc/38/27/45/789382745.db2.gz PFYAPIKBCVISRE-CEXWTWQISA-N 1 3 322.493 2.236 20 0 DEADHO COC[C@H]1CN(CC2CC2)C[C@@]12CC[N@H+]([C@H]1CCCOCC1)C2 ZINC001170821641 789382756 /nfs/dbraw/zinc/38/27/56/789382756.db2.gz PFYAPIKBCVISRE-CEXWTWQISA-N 1 3 322.493 2.236 20 0 DEADHO Cc1ncc(CN[C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C)o1 ZINC001135973602 789584415 /nfs/dbraw/zinc/58/44/15/789584415.db2.gz AUUJAGBZNPFKAS-UONOGXRCSA-N 1 3 324.469 2.088 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCF)C1 ZINC001086820215 789644952 /nfs/dbraw/zinc/64/49/52/789644952.db2.gz USVOCEAXEVUMHR-XHSDSOJGSA-N 1 3 313.461 2.093 20 0 DEADHO C[C@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C[N@@H+]1CCCF ZINC001071739218 789899448 /nfs/dbraw/zinc/89/94/48/789899448.db2.gz PJNQZBGKRZRGNH-LSDHHAIUSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C[N@H+]1CCCF ZINC001071739218 789899454 /nfs/dbraw/zinc/89/94/54/789899454.db2.gz PJNQZBGKRZRGNH-LSDHHAIUSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C[N@@H+]1CC1CC1 ZINC001071738622 789899474 /nfs/dbraw/zinc/89/94/74/789899474.db2.gz FXGWJVFNAZFTGU-ZBFHGGJFSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C[N@H+]1CC1CC1 ZINC001071738622 789899481 /nfs/dbraw/zinc/89/94/81/789899481.db2.gz FXGWJVFNAZFTGU-ZBFHGGJFSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1C ZINC001072366055 790125121 /nfs/dbraw/zinc/12/51/21/790125121.db2.gz UZFHFGYKUPFLHP-HZPDHXFCSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccccc2)[C@@H]1C)N(C)C ZINC001074885521 791369171 /nfs/dbraw/zinc/36/91/71/791369171.db2.gz JEYHXCKFQMEYDP-XIRDDKMYSA-N 1 3 303.450 2.106 20 0 DEADHO CC(C)CCC[N@@H+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001148284799 791729828 /nfs/dbraw/zinc/72/98/28/791729828.db2.gz DXSFRSFMXUVQFD-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)CCC[N@H+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001148284799 791729833 /nfs/dbraw/zinc/72/98/33/791729833.db2.gz DXSFRSFMXUVQFD-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN3CCC)C[C@]2(C)C1 ZINC001091716972 791742393 /nfs/dbraw/zinc/74/23/93/791742393.db2.gz ZNGJEDOVBQZTKM-LMMKCTJWSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN3CCC)C[C@]2(C)C1 ZINC001091716972 791742397 /nfs/dbraw/zinc/74/23/97/791742397.db2.gz ZNGJEDOVBQZTKM-LMMKCTJWSA-N 1 3 321.509 2.441 20 0 DEADHO CCC(CC)C[N@@H+]1CCC2(CN(C(=O)CN(CC)CC)C2)C1 ZINC001148469879 791751177 /nfs/dbraw/zinc/75/11/77/791751177.db2.gz YWQIATNCHQTEMK-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CCC(CC)C[N@H+]1CCC2(CN(C(=O)CN(CC)CC)C2)C1 ZINC001148469879 791751178 /nfs/dbraw/zinc/75/11/78/791751178.db2.gz YWQIATNCHQTEMK-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](CCC(C)(C)C)C2 ZINC001148651672 791780905 /nfs/dbraw/zinc/78/09/05/791780905.db2.gz MWAGOEHKYLODDC-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](CCC(C)(C)C)C2 ZINC001148651672 791780907 /nfs/dbraw/zinc/78/09/07/791780907.db2.gz MWAGOEHKYLODDC-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CC/C=C/CC[N@H+]1CCC2(CN(C(=O)CN(C)CCC)C2)C1 ZINC001148651499 791781694 /nfs/dbraw/zinc/78/16/94/791781694.db2.gz GZGPUSLMHZGSHI-VOTSOKGWSA-N 1 3 307.482 2.219 20 0 DEADHO CC/C=C/CC[N@@H+]1CCC2(CN(C(=O)CN(C)CCC)C2)C1 ZINC001148651499 791781696 /nfs/dbraw/zinc/78/16/96/791781696.db2.gz GZGPUSLMHZGSHI-VOTSOKGWSA-N 1 3 307.482 2.219 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCCF)N(C)C ZINC001171367459 791883691 /nfs/dbraw/zinc/88/36/91/791883691.db2.gz MUEAADOHESOLSV-CABCVRRESA-N 1 3 303.466 2.197 20 0 DEADHO CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)N1CCCC1)C2 ZINC001111462471 791989191 /nfs/dbraw/zinc/98/91/91/791989191.db2.gz YSWLDWZPSJNJCX-WCXIOVBPSA-N 1 3 307.482 2.238 20 0 DEADHO CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)N1CCCC1)C2 ZINC001111462471 791989196 /nfs/dbraw/zinc/98/91/96/791989196.db2.gz YSWLDWZPSJNJCX-WCXIOVBPSA-N 1 3 307.482 2.238 20 0 DEADHO CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C1CC1)N1CCCC1 ZINC001099154265 792119175 /nfs/dbraw/zinc/11/91/75/792119175.db2.gz VPNRXWBOMKSCHE-IAGOWNOFSA-N 1 3 321.509 2.488 20 0 DEADHO CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C1CC1)N1CCCC1 ZINC001099154265 792119178 /nfs/dbraw/zinc/11/91/78/792119178.db2.gz VPNRXWBOMKSCHE-IAGOWNOFSA-N 1 3 321.509 2.488 20 0 DEADHO CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001099509850 792227461 /nfs/dbraw/zinc/22/74/61/792227461.db2.gz VESYSFZWKAIVIF-SCTDSRPQSA-N 1 3 321.509 2.488 20 0 DEADHO CC/C=C\CC[NH2+]C1CC(CNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001100407778 792633266 /nfs/dbraw/zinc/63/32/66/792633266.db2.gz JAUONPVYDXPJQW-UWASEOONSA-N 1 3 307.482 2.167 20 0 DEADHO CC[C@H](C(=O)NCC1CC([NH2+]CCCC2CCC2)C1)N(C)C ZINC001100443358 792656532 /nfs/dbraw/zinc/65/65/32/792656532.db2.gz CLCHNIRLELCNNF-OFLPRAFFSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccsc2)[C@H](C)C1)N(C)C ZINC001094049271 792702363 /nfs/dbraw/zinc/70/23/63/792702363.db2.gz PIEDECPBHAGYFZ-BMFZPTHFSA-N 1 3 323.506 2.272 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC2CC([NH2+]CC3CCCCC3)C2)C1 ZINC001100678771 792784327 /nfs/dbraw/zinc/78/43/27/792784327.db2.gz WCJOVLMGSXQCTN-ZLPCBKJTSA-N 1 3 321.509 2.393 20 0 DEADHO CN(CC(=O)NCC1CC([NH2+]C/C=C/Cl)C1)CC(C)(C)C ZINC001100681583 792786165 /nfs/dbraw/zinc/78/61/65/792786165.db2.gz NLIJRMKFKBOEEJ-AATRIKPKSA-N 1 3 315.889 2.201 20 0 DEADHO CN1C(C)(C)CC([N@@H+]2CC[C@@H](N3CCOCC3)C2)CC1(C)C ZINC001171638193 793170946 /nfs/dbraw/zinc/17/09/46/793170946.db2.gz WCKDMXQBWXSLSM-OAHLLOKOSA-N 1 3 309.498 2.044 20 0 DEADHO CN1C(C)(C)CC([N@H+]2CC[C@@H](N3CCOCC3)C2)CC1(C)C ZINC001171638193 793170955 /nfs/dbraw/zinc/17/09/55/793170955.db2.gz WCKDMXQBWXSLSM-OAHLLOKOSA-N 1 3 309.498 2.044 20 0 DEADHO CN1C(C)(C)CC([N@@H+]2CCC(=O)N3CCC[C@@H]3C2)CC1(C)C ZINC001171641647 793174645 /nfs/dbraw/zinc/17/46/45/793174645.db2.gz RXGBKHPWTZYLRV-CQSZACIVSA-N 1 3 307.482 2.335 20 0 DEADHO CN1C(C)(C)CC([N@H+]2CCC(=O)N3CCC[C@@H]3C2)CC1(C)C ZINC001171641647 793174646 /nfs/dbraw/zinc/17/46/46/793174646.db2.gz RXGBKHPWTZYLRV-CQSZACIVSA-N 1 3 307.482 2.335 20 0 DEADHO CC1(C)C[C@H](NC[C@H]2CCC(=O)N2)CC[N@@H+]1Cc1ccccc1 ZINC001171970039 793282972 /nfs/dbraw/zinc/28/29/72/793282972.db2.gz XOFCKPLWHGXYNE-IAGOWNOFSA-N 1 3 315.461 2.298 20 0 DEADHO CC1(C)C[C@H](NC[C@H]2CCC(=O)N2)CC[N@H+]1Cc1ccccc1 ZINC001171970039 793282982 /nfs/dbraw/zinc/28/29/82/793282982.db2.gz XOFCKPLWHGXYNE-IAGOWNOFSA-N 1 3 315.461 2.298 20 0 DEADHO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC(N)C1)C2 ZINC001172092936 793314236 /nfs/dbraw/zinc/31/42/36/793314236.db2.gz CJWCGHRXDHGKGU-HOUMAXQBSA-N 1 3 309.454 2.386 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCNC(=O)c1ccc(F)cc1)C2 ZINC001172104654 793328115 /nfs/dbraw/zinc/32/81/15/793328115.db2.gz DTRARJIRDSJPDQ-BJWYYQGGSA-N 1 3 319.424 2.160 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCNC(=O)c1ccc(F)cc1)C2 ZINC001172104654 793328128 /nfs/dbraw/zinc/32/81/28/793328128.db2.gz DTRARJIRDSJPDQ-BJWYYQGGSA-N 1 3 319.424 2.160 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCCc3ccc(CN)nc31)C2 ZINC001172111484 793331519 /nfs/dbraw/zinc/33/15/19/793331519.db2.gz RQBHAJAEQYZHJN-FVQHAEBGSA-N 1 3 300.450 2.308 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCCc3ccc(CN)nc31)C2 ZINC001172111484 793331530 /nfs/dbraw/zinc/33/15/30/793331530.db2.gz RQBHAJAEQYZHJN-FVQHAEBGSA-N 1 3 300.450 2.308 20 0 DEADHO C[NH+](C)CC[C@H](N[C@@H]1CCN2C(=O)CC[C@H]2C1)c1ccccc1 ZINC001172145792 793347860 /nfs/dbraw/zinc/34/78/60/793347860.db2.gz HZCVBBZSSSJDDN-SQNIBIBYSA-N 1 3 315.461 2.422 20 0 DEADHO COCCCN1CCC([NH2+][C@@H](C)CN2CCC(C)CC2)CC1 ZINC001172247216 793387427 /nfs/dbraw/zinc/38/74/27/793387427.db2.gz KDDNXHPBNOPFIC-KRWDZBQOSA-N 1 3 311.514 2.197 20 0 DEADHO COCCC[NH+]1CCC(N2CCC(n3cccn3)CC2)CC1 ZINC001172253344 793388757 /nfs/dbraw/zinc/38/87/57/793388757.db2.gz LZCCEJKBNUGYCP-UHFFFAOYSA-N 1 3 306.454 2.021 20 0 DEADHO COCCC[NH+]1CCC(N2CCC(n3nccc3C)CC2)CC1 ZINC001172254035 793389796 /nfs/dbraw/zinc/38/97/96/793389796.db2.gz HIWPSDAIXNQCPR-UHFFFAOYSA-N 1 3 320.481 2.329 20 0 DEADHO CC[C@H](CC(C)C)N1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001172402140 793425026 /nfs/dbraw/zinc/42/50/26/793425026.db2.gz NAVZOJUNULRXOR-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](CC(C)C)N1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001172402140 793425029 /nfs/dbraw/zinc/42/50/29/793425029.db2.gz NAVZOJUNULRXOR-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CC[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048912 793487219 /nfs/dbraw/zinc/48/72/19/793487219.db2.gz UREMDPZAUQDTIZ-OIISXLGYSA-N 1 3 309.498 2.057 20 0 DEADHO CC(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048912 793487224 /nfs/dbraw/zinc/48/72/24/793487224.db2.gz UREMDPZAUQDTIZ-OIISXLGYSA-N 1 3 309.498 2.057 20 0 DEADHO C[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102048698 793487250 /nfs/dbraw/zinc/48/72/50/793487250.db2.gz LROHFMDHMCESIZ-DJIMGWMZSA-N 1 3 323.525 2.447 20 0 DEADHO C[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102048698 793487256 /nfs/dbraw/zinc/48/72/56/793487256.db2.gz LROHFMDHMCESIZ-DJIMGWMZSA-N 1 3 323.525 2.447 20 0 DEADHO CCC[N@H+](CCCN)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001172994532 793561473 /nfs/dbraw/zinc/56/14/73/793561473.db2.gz WARBAIUVNGDORM-UHFFFAOYSA-N 1 3 321.440 2.491 20 0 DEADHO CCC[N@@H+](CCCN)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001172994532 793561478 /nfs/dbraw/zinc/56/14/78/793561478.db2.gz WARBAIUVNGDORM-UHFFFAOYSA-N 1 3 321.440 2.491 20 0 DEADHO CC[NH+](CC)C1CCC(N2CC[C@@](F)(C(=O)OC)C2)CC1 ZINC001173110332 793580825 /nfs/dbraw/zinc/58/08/25/793580825.db2.gz RQGARPSTWYPJJP-XUJLQICISA-N 1 3 300.418 2.226 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370294 793588508 /nfs/dbraw/zinc/58/85/08/793588508.db2.gz WIOVXDADKUNJKY-AKBADGPISA-N 1 3 321.509 2.369 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370294 793588515 /nfs/dbraw/zinc/58/85/15/793588515.db2.gz WIOVXDADKUNJKY-AKBADGPISA-N 1 3 321.509 2.369 20 0 DEADHO CCN1CC[C@@H](N[C@H](C[NH3+])c2ccc(Br)cc2)C1 ZINC001173351614 793686146 /nfs/dbraw/zinc/68/61/46/793686146.db2.gz ZTJTYUGOTXGUQP-ZIAGYGMSSA-N 1 3 312.255 2.133 20 0 DEADHO C[C@H](CCCC[NH2+]C/C=C\Cl)NC(=O)CN1CCC[C@@H]1C ZINC001175255822 794170795 /nfs/dbraw/zinc/17/07/95/794170795.db2.gz HJQGTPMFTDNRLC-IIQYJXCPSA-N 1 3 315.889 2.488 20 0 DEADHO C[C@H](CCCC[NH2+]CCC1CC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001175262389 794171809 /nfs/dbraw/zinc/17/18/09/794171809.db2.gz FYRYZIHSZNHNSV-HZPDHXFCSA-N 1 3 309.498 2.393 20 0 DEADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1C ZINC001103665403 794180850 /nfs/dbraw/zinc/18/08/50/794180850.db2.gz BCPDAPRMFVAMAF-JFOCPDPESA-N 1 3 315.889 2.155 20 0 DEADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1C ZINC001103665403 794180859 /nfs/dbraw/zinc/18/08/59/794180859.db2.gz BCPDAPRMFVAMAF-JFOCPDPESA-N 1 3 315.889 2.155 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccccn1 ZINC001176753389 794497971 /nfs/dbraw/zinc/49/79/71/794497971.db2.gz HKTSOXFVIDRHKC-MRXNPFEDSA-N 1 3 320.481 2.186 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCCC[NH2+]CCC2CC2)c1 ZINC001176889737 794522286 /nfs/dbraw/zinc/52/22/86/794522286.db2.gz AREGAUCDDCCBOB-UHFFFAOYSA-N 1 3 303.450 2.258 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)CN(C)C(C)C)c(C)c1 ZINC001176974981 794545648 /nfs/dbraw/zinc/54/56/48/794545648.db2.gz FQRKTHLVTZAWSL-UHFFFAOYSA-N 1 3 305.466 2.240 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001176986113 794546803 /nfs/dbraw/zinc/54/68/03/794546803.db2.gz FCPGSFNUYGNEOS-CQSZACIVSA-N 1 3 309.429 2.323 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CC1=CCCCC1 ZINC001176986972 794548278 /nfs/dbraw/zinc/54/82/78/794548278.db2.gz YLBHYYWGLYBAIT-KRWDZBQOSA-N 1 3 307.482 2.457 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001176986852 794548826 /nfs/dbraw/zinc/54/88/26/794548826.db2.gz XCAOMHYZRXKWCA-CQSZACIVSA-N 1 3 309.429 2.323 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCC(C)(C)C)[C@@H]1C ZINC001179534534 795127752 /nfs/dbraw/zinc/12/77/52/795127752.db2.gz OFPUHTKFYRDSQK-JYJNAYRXSA-N 1 3 309.498 2.486 20 0 DEADHO CC/C=C/CC[NH2+][C@H]1CCN(C(=O)CN2CCC[C@H]2C)[C@H]1C ZINC001179534638 795127964 /nfs/dbraw/zinc/12/79/64/795127964.db2.gz RKXIHYMFPQXBMP-RKOVHHPESA-N 1 3 307.482 2.406 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCCC3CCC3)[C@@H]2C)C1 ZINC001179539296 795134720 /nfs/dbraw/zinc/13/47/20/795134720.db2.gz UTOODBGIQCHAGQ-BQFCYCMXSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](C(=O)NCCCCCC[NH2+]CCCCOC)N(C)C ZINC001179609663 795142440 /nfs/dbraw/zinc/14/24/40/795142440.db2.gz XAGWBEGTMKZHHN-INIZCTEOSA-N 1 3 315.502 2.019 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCCCCCC[NH2+]C/C=C/Cl ZINC001179580473 795145080 /nfs/dbraw/zinc/14/50/80/795145080.db2.gz HQZGYVJPABPTDO-LOWQCSRCSA-N 1 3 315.889 2.489 20 0 DEADHO CCCCC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC001179779130 795168567 /nfs/dbraw/zinc/16/85/67/795168567.db2.gz AOJJVGPZJOQDGO-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C)[C@@H]1C ZINC001179983359 795214317 /nfs/dbraw/zinc/21/43/17/795214317.db2.gz XVMVAMRVLJUHQB-WMZOPIPTSA-N 1 3 317.477 2.416 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccsc2)[C@@H]1C ZINC001179983172 795214422 /nfs/dbraw/zinc/21/44/22/795214422.db2.gz NKQLENJPARXSRN-ZFWWWQNUSA-N 1 3 309.479 2.169 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)[C@@H]1C ZINC001179983221 795215136 /nfs/dbraw/zinc/21/51/36/795215136.db2.gz PVHWJBMEHAYDGA-HOCLYGCPSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)NCCCCCC[NH2+]CCOC(C)C ZINC001180123552 795244975 /nfs/dbraw/zinc/24/49/75/795244975.db2.gz HFCINEMGCZGPDL-UHFFFAOYSA-N 1 3 315.502 2.019 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCC2CCCC2)[C@@H]1C ZINC001180226588 795258794 /nfs/dbraw/zinc/25/87/94/795258794.db2.gz BYOBTHBZEMPQCU-RDJZCZTQSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CCF)CCCCC1 ZINC001120189380 795419569 /nfs/dbraw/zinc/41/95/69/795419569.db2.gz ISUSIHDSMXPZAG-GJZGRUSLSA-N 1 3 313.461 2.237 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+]C/C=C\Cl)CCCCC1 ZINC001120207801 795422071 /nfs/dbraw/zinc/42/20/71/795422071.db2.gz GNBSPQBUAKASQF-YFHOEESVSA-N 1 3 315.889 2.488 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC[C@@H](C)F)C1)N(C)C ZINC001181884664 795556504 /nfs/dbraw/zinc/55/65/04/795556504.db2.gz IPHWTZMSIXFQMN-KCYZZUKISA-N 1 3 315.477 2.149 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC(C)C)C1)N(C)C ZINC001181895217 795557962 /nfs/dbraw/zinc/55/79/62/795557962.db2.gz ALZUEAHPCZAKJV-JFIYKMOQSA-N 1 3 311.514 2.447 20 0 DEADHO CC[C@H](C(=O)NC1CC2(C1)CC([NH2+]C[C@@H](C)CC)C2)N(C)C ZINC001121289442 795612730 /nfs/dbraw/zinc/61/27/30/795612730.db2.gz SNFOEAISLHJWPJ-AILYUCJNSA-N 1 3 309.498 2.390 20 0 DEADHO CC(C)[C@H](C(=O)NC1CC2(C1)CC([NH2+]CCC1CC1)C2)N(C)C ZINC001121707482 795677091 /nfs/dbraw/zinc/67/70/91/795677091.db2.gz JLOXZRLILBVWCW-APUKJBRXSA-N 1 3 321.509 2.390 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CCC3CC3)C2)C1 ZINC001182629914 795715000 /nfs/dbraw/zinc/71/50/00/795715000.db2.gz OOXBKNQIQBFHCW-GPMSIDNRSA-N 1 3 321.509 2.203 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001183759943 795926711 /nfs/dbraw/zinc/92/67/11/795926711.db2.gz SDIUSBMGYKAKAB-MRXNPFEDSA-N 1 3 307.482 2.408 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC001183760340 795926719 /nfs/dbraw/zinc/92/67/19/795926719.db2.gz VGLACFFWUJAYNT-QGZVFWFLSA-N 1 3 317.477 2.416 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001184576206 796085949 /nfs/dbraw/zinc/08/59/49/796085949.db2.gz HEZOHGNOWQUYOO-CVEARBPZSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)CCC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001185206456 796212310 /nfs/dbraw/zinc/21/23/10/796212310.db2.gz UIQKKCMXPOXKFE-HZPDHXFCSA-N 1 3 320.481 2.463 20 0 DEADHO Cc1ccc(F)c(CN[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001185266105 796225677 /nfs/dbraw/zinc/22/56/77/796225677.db2.gz ZYBIDGKHZLWTQD-MRXNPFEDSA-N 1 3 321.440 2.166 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](NC/C=C/Cl)C1)[NH+](CC)CC ZINC001185609580 796293359 /nfs/dbraw/zinc/29/33/59/796293359.db2.gz LBKXPBJNWYZZNM-QPJKDDTCSA-N 1 3 301.862 2.050 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]CCC2CC2)[C@H](C)C1 ZINC001185750978 796315434 /nfs/dbraw/zinc/31/54/34/796315434.db2.gz NGPVFZTYWHQGJG-WBVHZDCISA-N 1 3 309.498 2.201 20 0 DEADHO CN(Cc1cccc(F)c1)C1CC[NH+](C[C@H]2CCC(=O)N2)CC1 ZINC001202899533 796331754 /nfs/dbraw/zinc/33/17/54/796331754.db2.gz NFRMJEOODFBMEA-MRXNPFEDSA-N 1 3 319.424 2.001 20 0 DEADHO COc1ccc(OC)c(CN(C)CC2CC[NH+](C)CC2)c1N ZINC001139273374 796352535 /nfs/dbraw/zinc/35/25/35/796352535.db2.gz WGURYKNIMXKOQQ-UHFFFAOYSA-N 1 3 307.438 2.060 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC[C@@H](C)F)C1 ZINC001186420074 796404493 /nfs/dbraw/zinc/40/44/93/796404493.db2.gz IEBIJSZXTSIHNV-HZPDHXFCSA-N 1 3 315.477 2.437 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C12CCC2 ZINC001203026979 796512996 /nfs/dbraw/zinc/51/29/96/796512996.db2.gz BFJBYNFYAIWNOJ-IAGOWNOFSA-N 1 3 319.493 2.454 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2C[C@@H]([NH2+]CCC3CC3)C23CCC3)CCC1 ZINC001203028058 796514959 /nfs/dbraw/zinc/51/49/59/796514959.db2.gz KIBRHINZBNBJOS-HZPDHXFCSA-N 1 3 319.493 2.288 20 0 DEADHO CC(C)NC(=O)c1ccc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC001140617210 796546026 /nfs/dbraw/zinc/54/60/26/796546026.db2.gz HGTNJSKGFRXXKZ-LJQANCHMSA-N 1 3 315.461 2.352 20 0 DEADHO CC(C)NC(=O)c1ccc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC001140617210 796546032 /nfs/dbraw/zinc/54/60/32/796546032.db2.gz HGTNJSKGFRXXKZ-LJQANCHMSA-N 1 3 315.461 2.352 20 0 DEADHO CC(C)NC(=O)c1ccc(CN2CC3(C2)CC[NH+](C)CC3)cc1 ZINC001140616590 796546226 /nfs/dbraw/zinc/54/62/26/796546226.db2.gz ARRHDGHMZULOCR-UHFFFAOYSA-N 1 3 315.461 2.352 20 0 DEADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3cc[nH]c3)C2)C1 ZINC001140705695 796561113 /nfs/dbraw/zinc/56/11/13/796561113.db2.gz VPQPGRHRCABLRZ-QZTJIDSGSA-N 1 3 303.450 2.195 20 0 DEADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3cc[nH]c3)C2)C1 ZINC001140705695 796561116 /nfs/dbraw/zinc/56/11/16/796561116.db2.gz VPQPGRHRCABLRZ-QZTJIDSGSA-N 1 3 303.450 2.195 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]([NH2+]C/C=C\Cl)C2)c1 ZINC001188084291 796625444 /nfs/dbraw/zinc/62/54/44/796625444.db2.gz HYAAIXTVSIOPNL-LWAXHKBTSA-N 1 3 321.852 2.305 20 0 DEADHO CCC(CC)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001188140122 796631524 /nfs/dbraw/zinc/63/15/24/796631524.db2.gz YPFRIKJRHZSVFM-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001161226932 796817357 /nfs/dbraw/zinc/81/73/57/796817357.db2.gz RMWQBGAJKPLAHU-ZDUSSCGKSA-N 1 3 319.440 2.248 20 0 DEADHO CC(C)N(C)CC(=O)NCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001152446058 797188115 /nfs/dbraw/zinc/18/81/15/797188115.db2.gz SDMNXQNYOLRJFM-CYBMUJFWSA-N 1 3 311.857 2.447 20 0 DEADHO C[C@@H](c1cccc(F)c1)N(C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192151696 797328643 /nfs/dbraw/zinc/32/86/43/797328643.db2.gz BYRALFWENIJWNV-WMLDXEAASA-N 1 3 321.440 2.371 20 0 DEADHO CC[N@H+](CC[C@@H](C)F)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001153930704 797425532 /nfs/dbraw/zinc/42/55/32/797425532.db2.gz XRILXTQFSNBHFC-KFWWJZLASA-N 1 3 303.466 2.147 20 0 DEADHO CC[N@@H+](CC[C@@H](C)F)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001153930704 797425539 /nfs/dbraw/zinc/42/55/39/797425539.db2.gz XRILXTQFSNBHFC-KFWWJZLASA-N 1 3 303.466 2.147 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)CC2CC3(CCC3)C2)C1 ZINC001192970158 797483949 /nfs/dbraw/zinc/48/39/49/797483949.db2.gz PUZXRFCSKDHTOK-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)CC2CC3(CCC3)C2)C1 ZINC001192970158 797483954 /nfs/dbraw/zinc/48/39/54/797483954.db2.gz PUZXRFCSKDHTOK-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CCN(Cc1ccsc1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154908847 797637194 /nfs/dbraw/zinc/63/71/94/797637194.db2.gz ATMMWBFFJDZIQA-CQSZACIVSA-N 1 3 311.495 2.417 20 0 DEADHO CC[N@H+](CCCF)[C@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001155620552 797807765 /nfs/dbraw/zinc/80/77/65/797807765.db2.gz LBBCQSVBNXBQDQ-CVEARBPZSA-N 1 3 315.477 2.436 20 0 DEADHO CC[N@@H+](CCCF)[C@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001155620552 797807771 /nfs/dbraw/zinc/80/77/71/797807771.db2.gz LBBCQSVBNXBQDQ-CVEARBPZSA-N 1 3 315.477 2.436 20 0 DEADHO CCCCCN1CCCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001196417418 798057302 /nfs/dbraw/zinc/05/73/02/798057302.db2.gz RYHYMALBZNVEOM-UHFFFAOYSA-N 1 3 307.482 2.339 20 0 DEADHO CC[C@H]([NH2+]CCNC(=O)CN(C)C(C)C)c1ccc(F)cc1 ZINC001152433204 798308757 /nfs/dbraw/zinc/30/87/57/798308757.db2.gz XHISFFKNQSDSCM-INIZCTEOSA-N 1 3 309.429 2.323 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cc(C)cc(C)c1 ZINC001152446018 798321815 /nfs/dbraw/zinc/32/18/15/798321815.db2.gz RDZKDRDLFFSLKU-SFHVURJKSA-N 1 3 317.477 2.384 20 0 DEADHO CC(C)(C)Oc1cccc(N2CCC([N@@H+]3CC[C@@H](N)C3)CC2)n1 ZINC001158259826 798368358 /nfs/dbraw/zinc/36/83/58/798368358.db2.gz ACYJBPFQCAEGBK-CQSZACIVSA-N 1 3 318.465 2.261 20 0 DEADHO CC(C)(C)Oc1cccc(N2CCC([N@H+]3CC[C@@H](N)C3)CC2)n1 ZINC001158259826 798368362 /nfs/dbraw/zinc/36/83/62/798368362.db2.gz ACYJBPFQCAEGBK-CQSZACIVSA-N 1 3 318.465 2.261 20 0 DEADHO CCN[C@H](CNC(=O)CCCC[NH+](C)C)c1ccccc1OC ZINC001198969791 798421276 /nfs/dbraw/zinc/42/12/76/798421276.db2.gz WTVCAYARCIUGDD-MRXNPFEDSA-N 1 3 321.465 2.194 20 0 DEADHO CC[C@@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001158533638 798423365 /nfs/dbraw/zinc/42/33/65/798423365.db2.gz CNIRPKCOPPTBPY-GDBMZVCRSA-N 1 3 306.454 2.311 20 0 DEADHO CC[C@@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001158533638 798423373 /nfs/dbraw/zinc/42/33/73/798423373.db2.gz CNIRPKCOPPTBPY-GDBMZVCRSA-N 1 3 306.454 2.311 20 0 DEADHO Cc1nc(Cl)cnc1N(C1CC[NH2+]CC1)C1CCN(C)CC1 ZINC001158581394 798433328 /nfs/dbraw/zinc/43/33/28/798433328.db2.gz QTQPDVQWYOYMNT-UHFFFAOYSA-N 1 3 323.872 2.091 20 0 DEADHO CCN(CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCF ZINC001158625681 798439889 /nfs/dbraw/zinc/43/98/89/798439889.db2.gz UWXSSFJRZVHWPY-OAHLLOKOSA-N 1 3 301.450 2.001 20 0 DEADHO CCN(CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCF ZINC001158625681 798439890 /nfs/dbraw/zinc/43/98/90/798439890.db2.gz UWXSSFJRZVHWPY-OAHLLOKOSA-N 1 3 301.450 2.001 20 0 DEADHO CC(C)=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CN1CCCC1 ZINC001158853014 798478731 /nfs/dbraw/zinc/47/87/31/798478731.db2.gz ONXGJPHBPRDTOJ-QGZVFWFLSA-N 1 3 307.482 2.361 20 0 DEADHO CC(C)=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CN1CCCC1 ZINC001158853014 798478732 /nfs/dbraw/zinc/47/87/32/798478732.db2.gz ONXGJPHBPRDTOJ-QGZVFWFLSA-N 1 3 307.482 2.361 20 0 DEADHO CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001199788256 798538695 /nfs/dbraw/zinc/53/86/95/798538695.db2.gz NHEXHKSSKSBNSF-KEGWNNHHSA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001199787707 798538948 /nfs/dbraw/zinc/53/89/48/798538948.db2.gz COVGBCVVJDQFOX-WBVHZDCISA-N 1 3 309.498 2.343 20 0 DEADHO CCCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001159629552 798590772 /nfs/dbraw/zinc/59/07/72/798590772.db2.gz ZEKLZLCHZZSFTF-KRWDZBQOSA-N 1 3 307.482 2.409 20 0 DEADHO CCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001159629552 798590773 /nfs/dbraw/zinc/59/07/73/798590773.db2.gz ZEKLZLCHZZSFTF-KRWDZBQOSA-N 1 3 307.482 2.409 20 0 DEADHO CN(C)[C@H](C(=O)NCCC[NH2+]CCCc1ccsc1)C1CC1 ZINC001159924378 798627058 /nfs/dbraw/zinc/62/70/58/798627058.db2.gz JUMNPVOLHPSCIY-INIZCTEOSA-N 1 3 323.506 2.117 20 0 DEADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CCCc1ccccc1)C1CC1 ZINC001159932188 798628128 /nfs/dbraw/zinc/62/81/28/798628128.db2.gz OJBIVLCMHOTCPY-GOSISDBHSA-N 1 3 317.477 2.055 20 0 DEADHO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ncnc4c3CCNC4)c2c1 ZINC001160010965 798639327 /nfs/dbraw/zinc/63/93/27/798639327.db2.gz LDALKCNFABYINM-CYBMUJFWSA-N 1 3 321.428 2.264 20 0 DEADHO CC(C)C[N@H+]1CC=C(CCNC(=O)CN(C)C2CCC2)CC1 ZINC001160360847 798679412 /nfs/dbraw/zinc/67/94/12/798679412.db2.gz XFOJGMDRQCVYIE-UHFFFAOYSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)C[N@@H+]1CC=C(CCNC(=O)CN(C)C2CCC2)CC1 ZINC001160360847 798679414 /nfs/dbraw/zinc/67/94/14/798679414.db2.gz XFOJGMDRQCVYIE-UHFFFAOYSA-N 1 3 307.482 2.265 20 0 DEADHO CC/C=C\CC[NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001201037106 798708962 /nfs/dbraw/zinc/70/89/62/798708962.db2.gz CRIWRFPRLKLSGW-WAYWQWQTSA-N 1 3 307.482 2.408 20 0 DEADHO CN(CCN1CCCC1)C(=O)[C@@H]1C[C@H](c2ccccc2)CC[NH2+]1 ZINC001160687876 798722792 /nfs/dbraw/zinc/72/27/92/798722792.db2.gz JPCBXBMZLHSUFW-MSOLQXFVSA-N 1 3 315.461 2.076 20 0 DEADHO CN(CC[NH+]1CCCC1)C(=O)[C@@H]1C[C@H](c2ccccc2)CCN1 ZINC001160687876 798722795 /nfs/dbraw/zinc/72/27/95/798722795.db2.gz JPCBXBMZLHSUFW-MSOLQXFVSA-N 1 3 315.461 2.076 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+]CC[C@H]1CCCC1(F)F)N(C)C ZINC001160889455 798756376 /nfs/dbraw/zinc/75/63/76/798756376.db2.gz JVOJBCQFOBRLBA-ZIAGYGMSSA-N 1 3 319.440 2.248 20 0 DEADHO CCC[C@H](C)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001201544058 798767558 /nfs/dbraw/zinc/76/75/58/798767558.db2.gz MMXXCYJGBIKYSI-YVSFHVDLSA-N 1 3 305.470 2.109 20 0 DEADHO CCC[C@H](C)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001201544058 798767560 /nfs/dbraw/zinc/76/75/60/798767560.db2.gz MMXXCYJGBIKYSI-YVSFHVDLSA-N 1 3 305.470 2.109 20 0 DEADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(CCCSC)C2 ZINC001201681106 798782161 /nfs/dbraw/zinc/78/21/61/798782161.db2.gz RFDKKYWSLMPAES-IRXDYDNUSA-N 1 3 312.523 2.420 20 0 DEADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(CCCSC)C2 ZINC001201681106 798782164 /nfs/dbraw/zinc/78/21/64/798782164.db2.gz RFDKKYWSLMPAES-IRXDYDNUSA-N 1 3 312.523 2.420 20 0 DEADHO CN1CCN(c2cc(Nc3cnc4ccccn34)cc[nH+]2)CC1 ZINC001201651640 798785116 /nfs/dbraw/zinc/78/51/16/798785116.db2.gz ZPZOMKOBBCUZPY-UHFFFAOYSA-N 1 3 308.389 2.225 20 0 DEADHO CCCCCC[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001201747319 798794073 /nfs/dbraw/zinc/79/40/73/798794073.db2.gz YGSJNGIKAYNJJW-UHFFFAOYSA-N 1 3 319.493 2.391 20 0 DEADHO CCCCCC[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001201747319 798794077 /nfs/dbraw/zinc/79/40/77/798794077.db2.gz YGSJNGIKAYNJJW-UHFFFAOYSA-N 1 3 319.493 2.391 20 0 DEADHO CCN(C(=O)[C@H](N)C12CC3CC(CC(C3)C1)C2)[C@H]1CCC[NH2+]C1 ZINC001161342191 798832171 /nfs/dbraw/zinc/83/21/71/798832171.db2.gz ZPOYSBPPGZCYLS-XSXXDBAGSA-N 1 3 319.493 2.131 20 0 DEADHO CCCC[N@H+]1CC=C(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001161785352 798936399 /nfs/dbraw/zinc/93/63/99/798936399.db2.gz NHTQZYVRRVWYPH-UHFFFAOYSA-N 1 3 304.438 2.199 20 0 DEADHO CCCC[N@@H+]1CC=C(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001161785352 798936404 /nfs/dbraw/zinc/93/64/04/798936404.db2.gz NHTQZYVRRVWYPH-UHFFFAOYSA-N 1 3 304.438 2.199 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](Nc2cccc3cc([C@@H]4CNCCO4)cn32)C1 ZINC001162403112 799078609 /nfs/dbraw/zinc/07/86/09/799078609.db2.gz XZFFOIDJWAUWDT-INMHGKMJSA-N 1 3 314.433 2.282 20 0 DEADHO C[C@H](F)CC[NH2+]C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001202526295 799101447 /nfs/dbraw/zinc/10/14/47/799101447.db2.gz CTHOGEVUHSFLET-AWEZNQCLSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@@H](C(=O)N1CCC([NH2+]CCCC2CCC2)CC1)N(C)C ZINC001202532565 799137841 /nfs/dbraw/zinc/13/78/41/799137841.db2.gz ZTDYETHEGLNYGD-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCC3)C[C@H]21 ZINC001114483931 799142995 /nfs/dbraw/zinc/14/29/95/799142995.db2.gz OIRDEJKAIHVOIX-FVQHAEBGSA-N 1 3 321.509 2.343 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21 ZINC001114483931 799143001 /nfs/dbraw/zinc/14/30/01/799143001.db2.gz OIRDEJKAIHVOIX-FVQHAEBGSA-N 1 3 321.509 2.343 20 0 DEADHO CN1CCCC[C@H]1c1ccc(N[C@H]2COCCC23C[NH2+]C3)nc1 ZINC001163075113 799239161 /nfs/dbraw/zinc/23/91/61/799239161.db2.gz YDUOCGOJZASDKU-HOTGVXAUSA-N 1 3 316.449 2.029 20 0 DEADHO CCN(CC)CCNC(=[NH2+])Nc1cc(C)nc(C(C)(C)C)n1 ZINC001163128133 799253371 /nfs/dbraw/zinc/25/33/71/799253371.db2.gz AFQXLWNHVICYCM-UHFFFAOYSA-N 1 3 306.458 2.361 20 0 DEADHO C[C@H](F)CC[NH2+]CC1(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001165465021 799734682 /nfs/dbraw/zinc/73/46/82/799734682.db2.gz QKMPLZMAMXQVHY-AWEZNQCLSA-N 1 3 313.461 2.095 20 0 DEADHO CC1CC(C[NH2+]CC2(CCNC(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001165484474 799735522 /nfs/dbraw/zinc/73/55/22/799735522.db2.gz FECGLXPJTUAUEI-VMBOVVBDSA-N 1 3 321.509 2.249 20 0 DEADHO CC(C)=CC[NH2+]CC1(CCNC(=O)CN(C)C2CCC2)CC1 ZINC001165501899 799738333 /nfs/dbraw/zinc/73/83/33/799738333.db2.gz RNWZFYJRWQJTLG-UHFFFAOYSA-N 1 3 307.482 2.313 20 0 DEADHO CCc1ccc(C[NH2+]CCCNC(=O)CN2CCC[C@@H]2C)cc1 ZINC001166626948 799904479 /nfs/dbraw/zinc/90/44/79/799904479.db2.gz MXDDZXQMDVEUIJ-INIZCTEOSA-N 1 3 317.477 2.329 20 0 DEADHO CC1(C)CCN(CC(=O)NCCC[NH2+]CC2CCCCC2)C1 ZINC001166736652 799935916 /nfs/dbraw/zinc/93/59/16/799935916.db2.gz PTHCAQCAGWVCAV-UHFFFAOYSA-N 1 3 309.498 2.395 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+]CCCc1ccccc1C)N(C)C ZINC001166852535 799965374 /nfs/dbraw/zinc/96/53/74/799965374.db2.gz SKWYQUKMHVNKFY-SFHVURJKSA-N 1 3 319.493 2.364 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+]C/C=C\c1ccccc1)N(C)C ZINC001166866842 799968467 /nfs/dbraw/zinc/96/84/67/799968467.db2.gz WPNHXGXBVCEZFA-UEOUDEGLSA-N 1 3 303.450 2.136 20 0 DEADHO C[NH+](C)CCC(=O)NCCC1(CNCC=C(Cl)Cl)CC1 ZINC001166979291 799996739 /nfs/dbraw/zinc/99/67/39/799996739.db2.gz QFOSLHXBIKUHDG-UHFFFAOYSA-N 1 3 322.280 2.133 20 0 DEADHO CC[C@H](C)C[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001167044684 800015253 /nfs/dbraw/zinc/01/52/53/800015253.db2.gz NLZRYFTXRXNWRO-JKSUJKDBSA-N 1 3 311.514 2.495 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC2)C12CCC2 ZINC001203791008 800123614 /nfs/dbraw/zinc/12/36/14/800123614.db2.gz BIRBKOSSCPQGAK-HOTGVXAUSA-N 1 3 307.482 2.144 20 0 DEADHO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2Cc1ccc(F)c(F)c1 ZINC001204223559 800190858 /nfs/dbraw/zinc/19/08/58/800190858.db2.gz HLPYLCANBVOVSI-DLBZAZTESA-N 1 3 309.404 2.175 20 0 DEADHO COC(=O)[C@@H]1CCN(Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001204263295 800195942 /nfs/dbraw/zinc/19/59/42/800195942.db2.gz KJPWCRDDKUOEDC-MRXNPFEDSA-N 1 3 320.433 2.012 20 0 DEADHO C[C@H]1CC[C@@H](CN)[N@@H+]1Cc1ccc(N2CCC(O)CC2)s1 ZINC001205069062 800292819 /nfs/dbraw/zinc/29/28/19/800292819.db2.gz UDPHKHDEBXHCRG-STQMWFEESA-N 1 3 309.479 2.021 20 0 DEADHO C[C@H]1CC[C@@H](CN)[N@H+]1Cc1ccc(N2CCC(O)CC2)s1 ZINC001205069062 800292822 /nfs/dbraw/zinc/29/28/22/800292822.db2.gz UDPHKHDEBXHCRG-STQMWFEESA-N 1 3 309.479 2.021 20 0 DEADHO C[C@H]1CN(Cc2ccc(OC3CCOCC3)cc2)C[C@H]1C[NH3+] ZINC001205140903 800303103 /nfs/dbraw/zinc/30/31/03/800303103.db2.gz QWTYPBNDOOYXOJ-GOEBONIOSA-N 1 3 304.434 2.271 20 0 DEADHO [NH3+]C[C@@]1(O)CCCN(Cc2cccn2-c2ccccc2F)CC1 ZINC001205221691 800321976 /nfs/dbraw/zinc/32/19/76/800321976.db2.gz WJGRCNCQSWMCJH-GOSISDBHSA-N 1 3 317.408 2.292 20 0 DEADHO CCCCOc1ncc(CN2CCC[C@](O)(C[NH3+])CC2)cc1C ZINC001205249727 800330646 /nfs/dbraw/zinc/33/06/46/800330646.db2.gz ZBOFBOYRCULNPK-GOSISDBHSA-N 1 3 321.465 2.245 20 0 DEADHO [NH3+]C[C@@]1(F)CCCN(Cc2c[nH]c3ncnc(Cl)c23)CC1 ZINC001205559240 800376919 /nfs/dbraw/zinc/37/69/19/800376919.db2.gz PDVCJJIRNMITEV-CQSZACIVSA-N 1 3 311.792 2.216 20 0 DEADHO COC(=O)c1cccc(CN2CCC[C@@](F)(C[NH3+])CC2)c1OC ZINC001205591720 800382042 /nfs/dbraw/zinc/38/20/42/800382042.db2.gz OGUSEAFAXBUYGR-KRWDZBQOSA-N 1 3 324.396 2.135 20 0 DEADHO C[C@H]1C[N@H+](Cc2ccc([O-])c3[nH]c(=O)ccc23)CCC[C@@H]1C[NH3+] ZINC001206024343 800460320 /nfs/dbraw/zinc/46/03/20/800460320.db2.gz IPUQGRGMKLBGFE-QWHCGFSZSA-N 1 3 315.417 2.453 20 0 DEADHO C[C@H]1C[N@@H+](Cc2ccc([O-])c3[nH]c(=O)ccc23)CCC[C@@H]1C[NH3+] ZINC001206024343 800460323 /nfs/dbraw/zinc/46/03/23/800460323.db2.gz IPUQGRGMKLBGFE-QWHCGFSZSA-N 1 3 315.417 2.453 20 0 DEADHO C[NH+](C)CCC(=O)N1CCC(CNC/C(Cl)=C\Cl)CC1 ZINC001206153460 800480583 /nfs/dbraw/zinc/48/05/83/800480583.db2.gz XWGQXPOFLQQRCE-UKTHLTGXSA-N 1 3 322.280 2.085 20 0 DEADHO N[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@@H]1F ZINC001206164563 800482846 /nfs/dbraw/zinc/48/28/46/800482846.db2.gz KJZRVRQGFWEYEC-LSDHHAIUSA-N 1 3 306.360 2.477 20 0 DEADHO N[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@@H]1F ZINC001206164563 800482849 /nfs/dbraw/zinc/48/28/49/800482849.db2.gz KJZRVRQGFWEYEC-LSDHHAIUSA-N 1 3 306.360 2.477 20 0 DEADHO C[NH+](C)CC(C)(C)CN1C[C@@H]2C(=O)Nc3ccccc3[C@H]2C1 ZINC001207280336 800722139 /nfs/dbraw/zinc/72/21/39/800722139.db2.gz VMXFZKYGXIZKOT-CABCVRRESA-N 1 3 301.434 2.242 20 0 DEADHO CC(C)N1CCC2(CCN(CC(C)(C)C[NH+](C)C)CC2)C1=O ZINC001207285024 800723744 /nfs/dbraw/zinc/72/37/44/800723744.db2.gz XYJXJUHFZWXVHI-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO C[NH+]1CCC(CN2CCN(c3nccc4occc43)CC2)CC1 ZINC001207398854 800743355 /nfs/dbraw/zinc/74/33/55/800743355.db2.gz RJLDYSOIHPRHHK-UHFFFAOYSA-N 1 3 314.433 2.292 20 0 DEADHO C[NH+](C)CCN1CCN(CCCC2CCCCC2)CCC1=O ZINC001207609126 800788622 /nfs/dbraw/zinc/78/86/22/800788622.db2.gz NGQBFKJXWXDTIK-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CCn1ncc2c1[C@@H](COC)CN(CC1(C)CC[NH+](C)CC1)C2 ZINC001208110464 800914230 /nfs/dbraw/zinc/91/42/30/800914230.db2.gz SUMOBUFYGKJBRS-MRXNPFEDSA-N 1 3 320.481 2.181 20 0 DEADHO CC/C=C\CCCN1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001208136685 800919778 /nfs/dbraw/zinc/91/97/78/800919778.db2.gz ZYFOISGSYQLQQK-PLNGDYQASA-N 1 3 307.482 2.409 20 0 DEADHO CC/C=C\CCCN1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001208136685 800919784 /nfs/dbraw/zinc/91/97/84/800919784.db2.gz ZYFOISGSYQLQQK-PLNGDYQASA-N 1 3 307.482 2.409 20 0 DEADHO CN(C)C(=O)[C@@H]1CC12CCN(CC1(C[NH+](C)C)CCCC1)CC2 ZINC001208187349 800925266 /nfs/dbraw/zinc/92/52/66/800925266.db2.gz UXJGKXLAKCQDNS-INIZCTEOSA-N 1 3 321.509 2.299 20 0 DEADHO CN(C)CC1(C[N@@H+]2CC[C@H](Oc3ncccn3)C2)CCCC1 ZINC001208188243 800926932 /nfs/dbraw/zinc/92/69/32/800926932.db2.gz IGQKXJGXDOUCGA-HNNXBMFYSA-N 1 3 304.438 2.052 20 0 DEADHO CN(C)CC1(C[N@H+]2CC[C@H](Oc3ncccn3)C2)CCCC1 ZINC001208188243 800926936 /nfs/dbraw/zinc/92/69/36/800926936.db2.gz IGQKXJGXDOUCGA-HNNXBMFYSA-N 1 3 304.438 2.052 20 0 DEADHO CCC(CC)C[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001208334058 800957903 /nfs/dbraw/zinc/95/79/03/800957903.db2.gz DPNVLDGWAADREZ-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001208335183 800958000 /nfs/dbraw/zinc/95/80/00/800958000.db2.gz ROUYYKAZVVEIII-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC[NH+]1CCC(CN2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)CC1 ZINC001208596313 801023253 /nfs/dbraw/zinc/02/32/53/801023253.db2.gz KCZIFOPPFILYDB-HOTGVXAUSA-N 1 3 323.481 2.412 20 0 DEADHO Cc1cccnc1N1CCCN(C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208605454 801026216 /nfs/dbraw/zinc/02/62/16/801026216.db2.gz ACJQUEZWSSUWPY-QGZVFWFLSA-N 1 3 302.466 2.244 20 0 DEADHO Cc1cccnc1N1CCCN(C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001208605454 801026220 /nfs/dbraw/zinc/02/62/20/801026220.db2.gz ACJQUEZWSSUWPY-QGZVFWFLSA-N 1 3 302.466 2.244 20 0 DEADHO COc1cccc(N2CC[NH+](C[C@H]3CCCN(C)C3)CC2)c1 ZINC001208605142 801026599 /nfs/dbraw/zinc/02/65/99/801026599.db2.gz ZRVUBSKIIGSNBT-INIZCTEOSA-N 1 3 303.450 2.159 20 0 DEADHO CN1CCC[C@@H](C[N@@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)C1 ZINC001208609800 801029775 /nfs/dbraw/zinc/02/97/75/801029775.db2.gz NAUOTIINPLQDEV-CEXWTWQISA-N 1 3 314.477 2.072 20 0 DEADHO CN1CCC[C@@H](C[N@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)C1 ZINC001208609800 801029780 /nfs/dbraw/zinc/02/97/80/801029780.db2.gz NAUOTIINPLQDEV-CEXWTWQISA-N 1 3 314.477 2.072 20 0 DEADHO COC(=O)CCN(Cc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC001208608263 801031342 /nfs/dbraw/zinc/03/13/42/801031342.db2.gz PQAPJBKSLPOYSP-KRWDZBQOSA-N 1 3 304.434 2.394 20 0 DEADHO COC(=O)CCN(Cc1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC001208608263 801031349 /nfs/dbraw/zinc/03/13/49/801031349.db2.gz PQAPJBKSLPOYSP-KRWDZBQOSA-N 1 3 304.434 2.394 20 0 DEADHO CC(C)C(=O)N1CCC[C@]12CCN(C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001208608669 801031724 /nfs/dbraw/zinc/03/17/24/801031724.db2.gz RIZOPFHVRFAMJV-SJLPKXTDSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)C(=O)N1CCC[C@]12CCN(C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001208608669 801031728 /nfs/dbraw/zinc/03/17/28/801031728.db2.gz RIZOPFHVRFAMJV-SJLPKXTDSA-N 1 3 307.482 2.051 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](F)CC ZINC001229868194 801329569 /nfs/dbraw/zinc/32/95/69/801329569.db2.gz CGIWHTUQSARUSX-RBSFLKMASA-N 1 3 301.450 2.093 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001210282983 801367551 /nfs/dbraw/zinc/36/75/51/801367551.db2.gz LPNRRRKPFUNAIM-CVEARBPZSA-N 1 3 313.461 2.047 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CC2)CC1 ZINC001230618437 801437814 /nfs/dbraw/zinc/43/78/14/801437814.db2.gz OGUQGJWSKBVALZ-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CC2)CC1 ZINC001230618437 801437822 /nfs/dbraw/zinc/43/78/22/801437822.db2.gz OGUQGJWSKBVALZ-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CC2)CC1 ZINC001230618436 801438089 /nfs/dbraw/zinc/43/80/89/801438089.db2.gz OGUQGJWSKBVALZ-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@H]2CCC[N@H+]2CC2CC2)CC1 ZINC001230618436 801438094 /nfs/dbraw/zinc/43/80/94/801438094.db2.gz OGUQGJWSKBVALZ-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO COCCN(Cc1c[nH]c2cnccc12)C1CC[NH+](C)CC1 ZINC001231519052 801679398 /nfs/dbraw/zinc/67/93/98/801679398.db2.gz UIOKRIAFUDLQJT-UHFFFAOYSA-N 1 3 302.422 2.106 20 0 DEADHO CC(=O)Nc1ccc(C[NH+]2CCC3(CN(C)C3)CC2)c(C)c1 ZINC001232187914 801808549 /nfs/dbraw/zinc/80/85/49/801808549.db2.gz WQOUZXSWXJBSCS-UHFFFAOYSA-N 1 3 301.434 2.481 20 0 DEADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc2ncoc2c1 ZINC001232941579 801988021 /nfs/dbraw/zinc/98/80/21/801988021.db2.gz QRQIVMSHJSCBCP-DLBZAZTESA-N 1 3 314.433 2.038 20 0 DEADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc2ncoc2c1 ZINC001232941579 801988028 /nfs/dbraw/zinc/98/80/28/801988028.db2.gz QRQIVMSHJSCBCP-DLBZAZTESA-N 1 3 314.433 2.038 20 0 DEADHO Cc1ccc(OC(C)C)cc1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218968082 802266393 /nfs/dbraw/zinc/26/63/93/802266393.db2.gz DEFCGQWHGWIOBP-INIZCTEOSA-N 1 3 305.422 2.048 20 0 DEADHO [NH3+][C@@H](CC1CCCC1)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC001219028155 802275774 /nfs/dbraw/zinc/27/57/74/802275774.db2.gz QYNYESFMJCKXEI-HNNXBMFYSA-N 1 3 303.406 2.015 20 0 DEADHO [NH3+][C@H]1CC[C@H](CC(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC001219028047 802276790 /nfs/dbraw/zinc/27/67/90/802276790.db2.gz NECBPZAXZBVNLT-MQMHXKEQSA-N 1 3 303.406 2.015 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC(C)C ZINC001234644657 802440019 /nfs/dbraw/zinc/44/00/19/802440019.db2.gz WJKQUXFOPKJHGZ-JKSUJKDBSA-N 1 3 315.477 2.245 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)N(C)C[C@@H]1CC[N@H+]1CCC(C)C ZINC001234644657 802440023 /nfs/dbraw/zinc/44/00/23/802440023.db2.gz WJKQUXFOPKJHGZ-JKSUJKDBSA-N 1 3 315.477 2.245 20 0 DEADHO CCCN1CCC([NH2+]Cc2ccccc2CC(=O)OC)CC1 ZINC000316840034 802526807 /nfs/dbraw/zinc/52/68/07/802526807.db2.gz LXIFECJXLMQKIK-UHFFFAOYSA-N 1 3 304.434 2.366 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@H]1CCCc2cnccc21 ZINC001221292233 802549570 /nfs/dbraw/zinc/54/95/70/802549570.db2.gz HZJFVXYUDRYKLN-IRXDYDNUSA-N 1 3 318.465 2.071 20 0 DEADHO CC[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC3CC3)C[C@H]21)N(CC)CC ZINC001221811825 802617795 /nfs/dbraw/zinc/61/77/95/802617795.db2.gz LQHZDPOPLPMOSA-IXDOHACOSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC3CC3)C[C@H]21)N(CC)CC ZINC001221811825 802617798 /nfs/dbraw/zinc/61/77/98/802617798.db2.gz LQHZDPOPLPMOSA-IXDOHACOSA-N 1 3 307.482 2.050 20 0 DEADHO C[C@H](F)CC[NH+]1CCC(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001223472329 802792616 /nfs/dbraw/zinc/79/26/16/802792616.db2.gz OGKRGOVXBMZHBB-AWEZNQCLSA-N 1 3 313.461 2.047 20 0 DEADHO CC1CC(C[NH+]2CCC(CNC(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001223472316 802792796 /nfs/dbraw/zinc/79/27/96/802792796.db2.gz NOXRHWWAJQTGEA-PVARCSIZSA-N 1 3 321.509 2.201 20 0 DEADHO CN(C)[C@H](C(=O)NC1CC[NH+](CCC(C)(C)C)CC1)C1CC1 ZINC001227818608 803283742 /nfs/dbraw/zinc/28/37/42/803283742.db2.gz XNFOBGNVQWLGSC-INIZCTEOSA-N 1 3 309.498 2.343 20 0 DEADHO CN(CC(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC2)C1)CC(C)(C)C ZINC001417769419 1167201116 /nfs/dbraw/zinc/20/11/16/1167201116.db2.gz NFFVEMIBMCCPED-IYBDPMFKSA-N 1 3 309.498 2.249 20 0 DEADHO CC[C@@H](F)C[NH2+][C@@H]1CCCCCN(C(=O)CN(C)C(C)C)C1 ZINC001417839841 1167248351 /nfs/dbraw/zinc/24/83/51/1167248351.db2.gz ZRCKBDOGHHSGQO-HZPDHXFCSA-N 1 3 315.477 2.436 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC12CC[NH+](C[C@@H](C)CC)CC2 ZINC001417960219 1167328506 /nfs/dbraw/zinc/32/85/06/1167328506.db2.gz ZYZHLZRYLFDGGX-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001418357068 1167594271 /nfs/dbraw/zinc/59/42/71/1167594271.db2.gz JVAGHWVZNJSRLK-QLNSKBQOSA-N 1 3 301.862 2.096 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001418357070 1167593707 /nfs/dbraw/zinc/59/37/07/1167593707.db2.gz JVAGHWVZNJSRLK-UIKBEFBESA-N 1 3 301.862 2.096 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001370060655 1149372483 /nfs/dbraw/zinc/37/24/83/1149372483.db2.gz KKNXWTQHVAPTLD-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001370060655 1149372488 /nfs/dbraw/zinc/37/24/88/1149372488.db2.gz KKNXWTQHVAPTLD-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CCN(C/C=C/Cl)C1)[NH+](CC)CC ZINC001418676041 1167878484 /nfs/dbraw/zinc/87/84/84/1167878484.db2.gz WCAUZEKFBMXKSC-VIGJRRFGSA-N 1 3 315.889 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([C@H](C)[NH2+]C/C=C/Cl)CC1 ZINC001418841008 1168001502 /nfs/dbraw/zinc/00/15/02/1168001502.db2.gz CXPBTQSUTDHRKZ-GPAKFWEMSA-N 1 3 315.889 2.296 20 0 DEADHO CC[C@H](C(=O)NC[C@H]([NH2+]CC1CCCCC1)C1CC1)N(C)C ZINC001370182394 1149417643 /nfs/dbraw/zinc/41/76/43/1149417643.db2.gz KOOYKIZHTLMHJC-DLBZAZTESA-N 1 3 309.498 2.391 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CCC1)C1CC1 ZINC001370182815 1149417455 /nfs/dbraw/zinc/41/74/55/1149417455.db2.gz YFXDXQKUBFTXLA-SJORKVTESA-N 1 3 307.482 2.145 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccsc2)C(C)(C)C1 ZINC001403831485 1163237703 /nfs/dbraw/zinc/23/77/03/1163237703.db2.gz STZSRQZQJCDKCI-HNNXBMFYSA-N 1 3 323.506 2.417 20 0 DEADHO O=C(NCCN1CCC(CCC[NH+]2CCCC2)CC1)C1CC1 ZINC001459800222 1058219312 /nfs/dbraw/zinc/21/93/12/1058219312.db2.gz YARCVQIWUJTBBI-UHFFFAOYSA-N 1 3 307.482 2.101 20 0 DEADHO CN(C)C1(C(=O)N[C@H](C[NH2+]CC2CC2)C2CCCC2)CCC1 ZINC001500094203 1058485150 /nfs/dbraw/zinc/48/51/50/1058485150.db2.gz APAMERUOLOZKSI-MRXNPFEDSA-N 1 3 307.482 2.145 20 0 DEADHO Cc1cccc(CNC2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC001473979302 1060786023 /nfs/dbraw/zinc/78/60/23/1060786023.db2.gz ODLHGTAEFOZOAA-UHFFFAOYSA-N 1 3 303.450 2.027 20 0 DEADHO CC(C)=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001479294541 1061370767 /nfs/dbraw/zinc/37/07/67/1061370767.db2.gz GIWXNIVXIFQMJF-BBWFWOEESA-N 1 3 307.482 2.310 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC[C@H](C)F)C1 ZINC001479298548 1061373480 /nfs/dbraw/zinc/37/34/80/1061373480.db2.gz IMRNVKMQEDFPAJ-JONQDZQNSA-N 1 3 313.461 2.093 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C/C=C\c1ccccc1 ZINC001506056677 1061625151 /nfs/dbraw/zinc/62/51/51/1061625151.db2.gz MYCVABLBCLXLNX-FNKXVUGSSA-N 1 3 315.461 2.088 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C/C=C\c1ccccc1 ZINC001506056677 1061625169 /nfs/dbraw/zinc/62/51/69/1061625169.db2.gz MYCVABLBCLXLNX-FNKXVUGSSA-N 1 3 315.461 2.088 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C/C=C\c1ccccc1 ZINC001506056679 1061626768 /nfs/dbraw/zinc/62/67/68/1061626768.db2.gz MYCVABLBCLXLNX-MVKGYNNESA-N 1 3 315.461 2.088 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C/C=C\c1ccccc1 ZINC001506056679 1061626779 /nfs/dbraw/zinc/62/67/79/1061626779.db2.gz MYCVABLBCLXLNX-MVKGYNNESA-N 1 3 315.461 2.088 20 0 DEADHO Cc1cc(C[N@@H+](C)CCCNC(=O)C2(N(C)C)CCC2)cs1 ZINC001479775316 1061736222 /nfs/dbraw/zinc/73/62/22/1061736222.db2.gz UDZVSYLXVYXCNU-UHFFFAOYSA-N 1 3 323.506 2.479 20 0 DEADHO Cc1cc(C[N@H+](C)CCCNC(=O)C2(N(C)C)CCC2)cs1 ZINC001479775316 1061736244 /nfs/dbraw/zinc/73/62/44/1061736244.db2.gz UDZVSYLXVYXCNU-UHFFFAOYSA-N 1 3 323.506 2.479 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CC1CCC1 ZINC001479832250 1061860000 /nfs/dbraw/zinc/86/00/00/1061860000.db2.gz QWCYVDUOEUUWIV-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCCc2ccsc2)C1)N(C)C ZINC001480232094 1062494955 /nfs/dbraw/zinc/49/49/55/1062494955.db2.gz NKCZOSVVPKLCRE-OWCLPIDISA-N 1 3 323.506 2.258 20 0 DEADHO C[N@H+](CCCCCF)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001506964546 1062610262 /nfs/dbraw/zinc/61/02/62/1062610262.db2.gz LZHYBYQHQAXULV-UHFFFAOYSA-N 1 3 310.417 2.015 20 0 DEADHO C[N@@H+](CCCCCF)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001506964546 1062610269 /nfs/dbraw/zinc/61/02/69/1062610269.db2.gz LZHYBYQHQAXULV-UHFFFAOYSA-N 1 3 310.417 2.015 20 0 DEADHO CC(C)[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CCC1CC1)N(C)C ZINC001480365893 1062721576 /nfs/dbraw/zinc/72/15/76/1062721576.db2.gz MXUMYYHXGVQOSI-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001480597525 1063090815 /nfs/dbraw/zinc/09/08/15/1063090815.db2.gz QNMUQNHNGIVSOY-KGLIPLIRSA-N 1 3 309.429 2.321 20 0 DEADHO CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)CCC)C[C@@H]21 ZINC001507361418 1063152943 /nfs/dbraw/zinc/15/29/43/1063152943.db2.gz BDHDXORNGBXBSG-IXDOHACOSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001480674936 1063172456 /nfs/dbraw/zinc/17/24/56/1063172456.db2.gz BCSVUJFFVPDPQJ-QGZVFWFLSA-N 1 3 307.482 2.267 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)C1(N(C)C)CCC1 ZINC001480827175 1063410835 /nfs/dbraw/zinc/41/08/35/1063410835.db2.gz YCUVRQPGMHBCLS-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1CCCNC(=O)C1(N(C)C)CCC1 ZINC001480827175 1063410845 /nfs/dbraw/zinc/41/08/45/1063410845.db2.gz YCUVRQPGMHBCLS-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+](CCNC(=O)[C@@H]1CCCCN1C(C)C)CC[C@@H](C)F ZINC001493029218 1063491312 /nfs/dbraw/zinc/49/13/12/1063491312.db2.gz RTKWBAOBBKSYRZ-CVEARBPZSA-N 1 3 315.477 2.436 20 0 DEADHO CC[N@@H+](CCNC(=O)[C@@H]1CCCCN1C(C)C)CC[C@@H](C)F ZINC001493029218 1063491315 /nfs/dbraw/zinc/49/13/15/1063491315.db2.gz RTKWBAOBBKSYRZ-CVEARBPZSA-N 1 3 315.477 2.436 20 0 DEADHO CCCCC[NH2+][C@@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001493852231 1063993516 /nfs/dbraw/zinc/99/35/16/1063993516.db2.gz ZMNGTLFGLJNQPZ-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)[NH2+][C@H]1C[C@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001368590823 1148511890 /nfs/dbraw/zinc/51/18/90/1148511890.db2.gz OAPBFONMECLQBH-ZQIUZPCESA-N 1 3 313.461 2.092 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC1CC1 ZINC001568153345 1064672855 /nfs/dbraw/zinc/67/28/55/1064672855.db2.gz SPABUQPZZLFHJC-SJORKVTESA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CCCC2CCC2)C1 ZINC001495578950 1064989941 /nfs/dbraw/zinc/98/99/41/1064989941.db2.gz ZHAHLKBNNQYZQF-SJLPKXTDSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1F ZINC001495589214 1064994322 /nfs/dbraw/zinc/99/43/22/1064994322.db2.gz OMTJAAIGTHCTQM-MRXNPFEDSA-N 1 3 321.440 2.248 20 0 DEADHO C[NH+](C)CCC(=O)N1CCC2(CCN(C/C=C\Cl)C2)CC1 ZINC001495603240 1064999982 /nfs/dbraw/zinc/99/99/82/1064999982.db2.gz WCTCDYCRBPEKRO-BAQGIRSFSA-N 1 3 313.873 2.005 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001568699691 1065059120 /nfs/dbraw/zinc/05/91/20/1065059120.db2.gz ULMBOZFKBSWVFU-DOTOQJQBSA-N 1 3 305.466 2.320 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)CC[NH2+]CC=C(Cl)Cl)N(C)C ZINC001568700392 1065061104 /nfs/dbraw/zinc/06/11/04/1065061104.db2.gz ZEVMWEKRUHEZPV-MNOVXSKESA-N 1 3 310.269 2.130 20 0 DEADHO CN(C)C1(C(=O)NC/C=C/C[NH2+]CCc2cccs2)CCC1 ZINC001568862799 1065162886 /nfs/dbraw/zinc/16/28/86/1065162886.db2.gz OOENFLBECOPCBN-ONEGZZNKSA-N 1 3 321.490 2.037 20 0 DEADHO C[C@@H](CNCCF)N(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001496059653 1065256232 /nfs/dbraw/zinc/25/62/32/1065256232.db2.gz ATTPWXMPNHINNC-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H](CNCCF)N(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001496059653 1065256241 /nfs/dbraw/zinc/25/62/41/1065256241.db2.gz ATTPWXMPNHINNC-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H](C[NH2+]CC1CC(C)C1)N(C)C(=O)CN(C)CC(C)(C)C ZINC001496154702 1065310513 /nfs/dbraw/zinc/31/05/13/1065310513.db2.gz QAWIBGMWCPMINA-HWOWSKLDSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)(C(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CCF)N1CCCC1 ZINC001569165266 1065332579 /nfs/dbraw/zinc/33/25/79/1065332579.db2.gz SAIRQXPVFMEXKO-CABCVRRESA-N 1 3 313.461 2.095 20 0 DEADHO CC(C)=CC[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001496339835 1065414133 /nfs/dbraw/zinc/41/41/33/1065414133.db2.gz GHGWESYPKRGSKQ-CVEARBPZSA-N 1 3 307.482 2.264 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001569968534 1065846456 /nfs/dbraw/zinc/84/64/56/1065846456.db2.gz KRNCIGLHIQKXBN-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)=CC[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CCC1 ZINC001570127402 1065934743 /nfs/dbraw/zinc/93/47/43/1065934743.db2.gz FBMUPHUYLJCZBV-IYBDPMFKSA-N 1 3 307.482 2.454 20 0 DEADHO CCN(CC[NH2+]Cc1cc(F)ccc1C)C(=O)[C@H]1CCCN1C ZINC001497435686 1066093507 /nfs/dbraw/zinc/09/35/07/1066093507.db2.gz DPZOCBXVOXWFEA-QGZVFWFLSA-N 1 3 321.440 2.166 20 0 DEADHO CC(C)(C)O[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1n1cccn1 ZINC001575246197 1066235422 /nfs/dbraw/zinc/23/54/22/1066235422.db2.gz HRUPBZYRMLMHAG-LJIZCISZSA-N 1 3 306.454 2.240 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C)cc1F ZINC001497992054 1066449698 /nfs/dbraw/zinc/44/96/98/1066449698.db2.gz AUUWOBFFAQBQQJ-CQSZACIVSA-N 1 3 309.429 2.069 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccccc1)N(C)C ZINC001498105936 1066506778 /nfs/dbraw/zinc/50/67/78/1066506778.db2.gz IPFAVPMEBDEKRE-YQQAZPJKSA-N 1 3 305.466 2.428 20 0 DEADHO C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCC23CCC3)CCN1C1CCCC1 ZINC001576761513 1066681962 /nfs/dbraw/zinc/68/19/62/1066681962.db2.gz BVOVFYGVUWGPNE-WBVHZDCISA-N 1 3 319.493 2.242 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001368608423 1148524264 /nfs/dbraw/zinc/52/42/64/1148524264.db2.gz MTKKTWHUAYAPJT-LJQANCHMSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001368608423 1148524280 /nfs/dbraw/zinc/52/42/80/1148524280.db2.gz MTKKTWHUAYAPJT-LJQANCHMSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C)Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1C(F)(F)F ZINC001578420889 1067094778 /nfs/dbraw/zinc/09/47/78/1067094778.db2.gz GLYOSXXURZQPMH-ZDUSSCGKSA-N 1 3 315.339 2.458 20 0 DEADHO Cn1c(C(=O)NC[C@@H]2CCCCN2C)ccc1[C@H]1CCCC[NH2+]1 ZINC001578529464 1067126469 /nfs/dbraw/zinc/12/64/69/1067126469.db2.gz VKDPRXIWJOUHQI-LSDHHAIUSA-N 1 3 318.465 2.054 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN[C@]23C[C@H]2COC32CCC2)cc1 ZINC001579195305 1067255583 /nfs/dbraw/zinc/25/55/83/1067255583.db2.gz VINBBSRMBDEVPA-RVKKMQEKSA-N 1 3 302.418 2.039 20 0 DEADHO CSCC[C@@H](N)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC001579377852 1067319584 /nfs/dbraw/zinc/31/95/84/1067319584.db2.gz YJZXUMMLHYWWKY-HUUCEWRRSA-N 1 3 307.463 2.254 20 0 DEADHO Cc1scc(CN2CCCC[C@H]2CNC(=O)CC[NH3+])c1C ZINC001579936945 1067457686 /nfs/dbraw/zinc/45/76/86/1067457686.db2.gz FYMHQTUMLHSTLA-HNNXBMFYSA-N 1 3 309.479 2.184 20 0 DEADHO NC(=O)[C@H](NCCC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC001580084970 1067493542 /nfs/dbraw/zinc/49/35/42/1067493542.db2.gz MYJAYSBBNGNVPO-MJVCVBRESA-N 1 3 321.852 2.377 20 0 DEADHO NC[C@]12C[N@H+](CCC(=O)Nc3ccccc3)C[C@@H]1CCCC2 ZINC001580255596 1067543038 /nfs/dbraw/zinc/54/30/38/1067543038.db2.gz KQIIBRWGXZIBFU-MAUKXSAKSA-N 1 3 301.434 2.466 20 0 DEADHO NC[C@]12C[N@@H+](CCC(=O)Nc3ccccc3)C[C@@H]1CCCC2 ZINC001580255596 1067543042 /nfs/dbraw/zinc/54/30/42/1067543042.db2.gz KQIIBRWGXZIBFU-MAUKXSAKSA-N 1 3 301.434 2.466 20 0 DEADHO CCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001267071221 1078546017 /nfs/dbraw/zinc/54/60/17/1078546017.db2.gz SWTQLDLOYIPXKV-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO Cc1ccccc1C[NH2+]CCCN(C)C(=O)CN1CCCC1 ZINC001483510046 1078576655 /nfs/dbraw/zinc/57/66/55/1078576655.db2.gz VBSGAKGGXBBAJS-UHFFFAOYSA-N 1 3 303.450 2.029 20 0 DEADHO CC[C@H](C(=O)N[C@H](C[NH2+]CC1=CCCCC1)C1CC1)N(C)C ZINC001483568341 1078602485 /nfs/dbraw/zinc/60/24/85/1078602485.db2.gz FIKUALCDUJYZCY-IAGOWNOFSA-N 1 3 307.482 2.311 20 0 DEADHO CC(C)=CCN(C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001570541209 1067994644 /nfs/dbraw/zinc/99/46/44/1067994644.db2.gz ZVTRYPNYOCIXLV-KRWDZBQOSA-N 1 3 307.482 2.217 20 0 DEADHO C[C@@H](F)CC[NH2+]CC1CC(NC(=O)CN(C)CC(C)(C)C)C1 ZINC001570573110 1068014661 /nfs/dbraw/zinc/01/46/61/1068014661.db2.gz IGTXQZVOHJECNQ-WLYUNCDWSA-N 1 3 315.477 2.197 20 0 DEADHO CC/C=C\CC[N@H+]1CC=C(CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001571695307 1068486998 /nfs/dbraw/zinc/48/69/98/1068486998.db2.gz JUFRUYZDXRBQPH-QWPQOLDESA-N 1 3 307.482 2.431 20 0 DEADHO CC/C=C\CC[N@@H+]1CC=C(CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001571695307 1068487003 /nfs/dbraw/zinc/48/70/03/1068487003.db2.gz JUFRUYZDXRBQPH-QWPQOLDESA-N 1 3 307.482 2.431 20 0 DEADHO CC(C)N(C(=O)CN1CCC([C@H]2C[C@H]2[NH3+])CC1)C1CCCC1 ZINC001573519708 1069028325 /nfs/dbraw/zinc/02/83/25/1069028325.db2.gz SEKQJZXORDFXRY-IAGOWNOFSA-N 1 3 307.482 2.225 20 0 DEADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2C[C@@H](F)CN2)CC1 ZINC001573590011 1069044815 /nfs/dbraw/zinc/04/48/15/1069044815.db2.gz MOWQLVIMXPFABN-YSVLISHTSA-N 1 3 319.424 2.028 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)NCC[C@@H](C)[NH2+]C)c1ccco1 ZINC001645846065 1079024142 /nfs/dbraw/zinc/02/41/42/1079024142.db2.gz KWBKGSLUNOBLDE-BFHYXJOUSA-N 1 3 310.442 2.006 20 0 DEADHO CC[N@H+](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)CC1CC1 ZINC001481000895 1079046257 /nfs/dbraw/zinc/04/62/57/1079046257.db2.gz JNSTUONIAHQMGY-QGZVFWFLSA-N 1 3 313.461 2.047 20 0 DEADHO CC[N@@H+](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)CC1CC1 ZINC001481000895 1079046264 /nfs/dbraw/zinc/04/62/64/1079046264.db2.gz JNSTUONIAHQMGY-QGZVFWFLSA-N 1 3 313.461 2.047 20 0 DEADHO N[C@H](CC1CC1)C(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC001550194460 1073488031 /nfs/dbraw/zinc/48/80/31/1073488031.db2.gz LVTWOTGIZOQUOC-USXIJHARSA-N 1 3 307.482 2.260 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)C[NH2+]CCC1CC1 ZINC001649445751 1079122401 /nfs/dbraw/zinc/12/24/01/1079122401.db2.gz KZJUWVBGDLWMQM-OAHLLOKOSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](N[C@@H](C)c1cncc(F)c1)[C@@H](O)C2 ZINC001550349866 1073607840 /nfs/dbraw/zinc/60/78/40/1073607840.db2.gz CBKWJXZFIMAIRB-TUWRNDLFSA-N 1 3 321.440 2.351 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](N[C@@H](C)c1cncc(F)c1)[C@@H](O)C2 ZINC001550349866 1073607842 /nfs/dbraw/zinc/60/78/42/1073607842.db2.gz CBKWJXZFIMAIRB-TUWRNDLFSA-N 1 3 321.440 2.351 20 0 DEADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cccnc3)C2)[C@@H]1C(C)C ZINC001550423412 1073648467 /nfs/dbraw/zinc/64/84/67/1073648467.db2.gz MQEIRSFFIKNFAP-XSLAGTTESA-N 1 3 303.450 2.041 20 0 DEADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cccnc3)C2)[C@@H]1C(C)C ZINC001550423412 1073648471 /nfs/dbraw/zinc/64/84/71/1073648471.db2.gz MQEIRSFFIKNFAP-XSLAGTTESA-N 1 3 303.450 2.041 20 0 DEADHO CCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001483832834 1079142760 /nfs/dbraw/zinc/14/27/60/1079142760.db2.gz FZVKMRCTSMRTML-SFHVURJKSA-N 1 3 318.465 2.457 20 0 DEADHO CCCCC[N@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001483832834 1079142763 /nfs/dbraw/zinc/14/27/63/1079142763.db2.gz FZVKMRCTSMRTML-SFHVURJKSA-N 1 3 318.465 2.457 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3ccccn3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550668314 1073787231 /nfs/dbraw/zinc/78/72/31/1073787231.db2.gz VRFAPKRTTXYWTI-OWSLCNJRSA-N 1 3 303.450 2.041 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3ccccn3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550668314 1073787235 /nfs/dbraw/zinc/78/72/35/1073787235.db2.gz VRFAPKRTTXYWTI-OWSLCNJRSA-N 1 3 303.450 2.041 20 0 DEADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3conc3C3CC3)C2)C1 ZINC001550704393 1073814941 /nfs/dbraw/zinc/81/49/41/1073814941.db2.gz YUMBQQSWWHYJJR-BMFZPTHFSA-N 1 3 305.422 2.270 20 0 DEADHO C[C@H](NC[C@@H]1CCCN1C(=O)CC[NH+](C)C)c1ccccc1F ZINC001483943259 1079199742 /nfs/dbraw/zinc/19/97/42/1079199742.db2.gz RILZRHLDENERCH-GJZGRUSLSA-N 1 3 321.440 2.419 20 0 DEADHO CCCN1CCCC[C@@H]1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC001649775989 1079207725 /nfs/dbraw/zinc/20/77/25/1079207725.db2.gz RYWFHUKAOQPNCS-QGZVFWFLSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1nc(C[NH2+]C2CCC(C)(N3CCOCC3)CC2)[nH]c1C ZINC001551238018 1074127515 /nfs/dbraw/zinc/12/75/15/1074127515.db2.gz HDNWVHJCAAFBAU-UHFFFAOYSA-N 1 3 306.454 2.150 20 0 DEADHO Cc1nc(CNC2CCC(C)([NH+]3CCOCC3)CC2)[nH]c1C ZINC001551238018 1074127519 /nfs/dbraw/zinc/12/75/19/1074127519.db2.gz HDNWVHJCAAFBAU-UHFFFAOYSA-N 1 3 306.454 2.150 20 0 DEADHO CN(CC1CCCCC1)C(=O)CN1CCCC2(CC[NH2+]CC2)C1 ZINC001649849818 1079262928 /nfs/dbraw/zinc/26/29/28/1079262928.db2.gz QAKIQCAAENAYPP-UHFFFAOYSA-N 1 3 321.509 2.491 20 0 DEADHO Cn1cc([C@@H]2OCCC[C@@H]2CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC001552375769 1074559029 /nfs/dbraw/zinc/55/90/29/1074559029.db2.gz LWGGVLUGMKXEHE-BZZMCLGOSA-N 1 3 318.465 2.104 20 0 DEADHO Cn1cc([C@@H]2OCCC[C@@H]2CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC001552375769 1074559038 /nfs/dbraw/zinc/55/90/38/1074559038.db2.gz LWGGVLUGMKXEHE-BZZMCLGOSA-N 1 3 318.465 2.104 20 0 DEADHO CCn1cc([C@@H]2OCC[C@@H]2CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC001552375442 1074559587 /nfs/dbraw/zinc/55/95/87/1074559587.db2.gz IOLMWWYWVUNZHJ-LAVFITLUSA-N 1 3 318.465 2.197 20 0 DEADHO CCn1cc([C@@H]2OCC[C@@H]2CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC001552375442 1074559596 /nfs/dbraw/zinc/55/95/96/1074559596.db2.gz IOLMWWYWVUNZHJ-LAVFITLUSA-N 1 3 318.465 2.197 20 0 DEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCO[C@@H]2c2nccn2C)C1 ZINC001552383276 1074561875 /nfs/dbraw/zinc/56/18/75/1074561875.db2.gz WJBVNFVAVRUOGB-NXOAAHMSSA-N 1 3 320.481 2.350 20 0 DEADHO CCn1ccnc1[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC001552776465 1074653046 /nfs/dbraw/zinc/65/30/46/1074653046.db2.gz SXPFWZXYCXVXIB-LTIDMASMSA-N 1 3 320.481 2.443 20 0 DEADHO O=C(CN1CCCC2(CC[NH2+]CC2)C1)NCC1CCCCC1 ZINC001647243708 1074855382 /nfs/dbraw/zinc/85/53/82/1074855382.db2.gz OCIDZMBOWAEWHP-UHFFFAOYSA-N 1 3 307.482 2.149 20 0 DEADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001649286724 1075019391 /nfs/dbraw/zinc/01/93/91/1075019391.db2.gz PXRWQDJFZYAFAP-ZFWWWQNUSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@H](Cc1ccno1)NCc1ccncc1OCCC[NH+](C)C ZINC001560864041 1075147728 /nfs/dbraw/zinc/14/77/28/1075147728.db2.gz MDJLFCNKXYXHFZ-CQSZACIVSA-N 1 3 318.421 2.121 20 0 DEADHO O=C(CN1CCCC1)NCCC[N@@H+](CCC(F)(F)F)C1CC1 ZINC001566602918 1075295081 /nfs/dbraw/zinc/29/50/81/1075295081.db2.gz STTLUQFQMBXEBZ-UHFFFAOYSA-N 1 3 321.387 2.005 20 0 DEADHO O=C(CN1CCCC1)NCCC[N@H+](CCC(F)(F)F)C1CC1 ZINC001566602918 1075295083 /nfs/dbraw/zinc/29/50/83/1075295083.db2.gz STTLUQFQMBXEBZ-UHFFFAOYSA-N 1 3 321.387 2.005 20 0 DEADHO CC/C=C\CC[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001566743413 1075333158 /nfs/dbraw/zinc/33/31/58/1075333158.db2.gz MULSWCGYWSYDLX-AWFCHZOYSA-N 1 3 318.465 2.479 20 0 DEADHO CC/C=C\CC[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001566743413 1075333163 /nfs/dbraw/zinc/33/31/63/1075333163.db2.gz MULSWCGYWSYDLX-AWFCHZOYSA-N 1 3 318.465 2.479 20 0 DEADHO CN(CC(=O)NC1(C[NH2+]C/C=C/Cl)CCCC1)C1CCC1 ZINC001267838564 1079527877 /nfs/dbraw/zinc/52/78/77/1079527877.db2.gz LXJLUXLFQCPMKG-BJMVGYQFSA-N 1 3 313.873 2.242 20 0 DEADHO CN(CC[NH2+][C@@H]1CCc2ccccc21)C(=O)CN(C)C1CCC1 ZINC001481240665 1079452386 /nfs/dbraw/zinc/45/23/86/1079452386.db2.gz TUYLEWQCDSPFSF-GOSISDBHSA-N 1 3 315.461 2.206 20 0 DEADHO O=C(C[C@H]1NCc2ccccc21)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC001580523277 1075943377 /nfs/dbraw/zinc/94/33/77/1075943377.db2.gz RFTSRFXZCJEWDB-SJLPKXTDSA-N 1 3 313.445 2.354 20 0 DEADHO O=C(C[C@H]1NCc2ccccc21)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC001580523277 1075943381 /nfs/dbraw/zinc/94/33/81/1075943381.db2.gz RFTSRFXZCJEWDB-SJLPKXTDSA-N 1 3 313.445 2.354 20 0 DEADHO CC[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590471348 1076636499 /nfs/dbraw/zinc/63/64/99/1076636499.db2.gz CMCQZDAJYVKTHA-DAXOMENPSA-N 1 3 314.437 2.425 20 0 DEADHO CC[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590471348 1076636500 /nfs/dbraw/zinc/63/65/00/1076636500.db2.gz CMCQZDAJYVKTHA-DAXOMENPSA-N 1 3 314.437 2.425 20 0 DEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C1=CCC[NH2+]CC1 ZINC001650346881 1079546459 /nfs/dbraw/zinc/54/64/59/1079546459.db2.gz QXNCXRHSFOGFDD-UHFFFAOYSA-N 1 3 319.424 2.026 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@]1(C[NH2+]CCCF)CCCC[C@H]1C ZINC001267873601 1079561956 /nfs/dbraw/zinc/56/19/56/1079561956.db2.gz JVGSGPBDVATGJC-CXAGYDPISA-N 1 3 324.444 2.275 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+]CCCF)CC1)N(C)C ZINC001484567900 1079665518 /nfs/dbraw/zinc/66/55/18/1079665518.db2.gz AANJWHZLUAGQJJ-JYJNAYRXSA-N 1 3 315.477 2.197 20 0 DEADHO C[C@@H]([NH2+]CCN(C)C(=O)CN1CCCC1)c1cccc(F)c1 ZINC001481314223 1079709458 /nfs/dbraw/zinc/70/94/58/1079709458.db2.gz BKSBQMNMLCSRGM-CQSZACIVSA-N 1 3 307.413 2.031 20 0 DEADHO CN(CC(=O)NC[C@@H]([NH2+]CC1CC1)c1ccccc1)C1CCC1 ZINC001481367169 1079761267 /nfs/dbraw/zinc/76/12/67/1079761267.db2.gz MLYLFZCVIQGXIL-GOSISDBHSA-N 1 3 315.461 2.328 20 0 DEADHO CCCN(C)CC(=O)N1CCC(C)([NH2+]CC[C@@H](C)F)CC1 ZINC001484927179 1079859870 /nfs/dbraw/zinc/85/98/70/1079859870.db2.gz NRWFNGDGLRGFEJ-CQSZACIVSA-N 1 3 301.450 2.047 20 0 DEADHO CC(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001496410137 1079878886 /nfs/dbraw/zinc/87/88/86/1079878886.db2.gz BPZJNAPSMGRBDZ-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001485060617 1079951703 /nfs/dbraw/zinc/95/17/03/1079951703.db2.gz QGPGJEXGQMVYRJ-KRWDZBQOSA-N 1 3 307.482 2.360 20 0 DEADHO CC(C)=CC[N@H+](C)C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001485060617 1079951704 /nfs/dbraw/zinc/95/17/04/1079951704.db2.gz QGPGJEXGQMVYRJ-KRWDZBQOSA-N 1 3 307.482 2.360 20 0 DEADHO Cc1cccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001485156487 1080019443 /nfs/dbraw/zinc/01/94/43/1080019443.db2.gz HINGVHUPNCHUTH-HZPDHXFCSA-N 1 3 317.477 2.462 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]Cc1ccccc1 ZINC001485157070 1080029338 /nfs/dbraw/zinc/02/93/38/1080029338.db2.gz QWVJCIAAEAQVJP-LSDHHAIUSA-N 1 3 303.450 2.154 20 0 DEADHO C[C@H](NCC=C(Cl)Cl)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001485186628 1080050305 /nfs/dbraw/zinc/05/03/05/1080050305.db2.gz PCNKKXFNSBKZBC-QWRGUYRKSA-N 1 3 322.280 2.130 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNCCF ZINC001656537932 1080100531 /nfs/dbraw/zinc/10/05/31/1080100531.db2.gz FRCQTSGYZBYCGI-PMPSAXMXSA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNCCF ZINC001656537932 1080100534 /nfs/dbraw/zinc/10/05/34/1080100534.db2.gz FRCQTSGYZBYCGI-PMPSAXMXSA-N 1 3 313.461 2.045 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2CC[NH2+]CCCF)C1 ZINC001268163898 1080141954 /nfs/dbraw/zinc/14/19/54/1080141954.db2.gz RXNBZXFLZLEEID-HOTGVXAUSA-N 1 3 313.461 2.049 20 0 DEADHO CC(C)N(C)CC(=O)NCC1C[NH+]([C@H](C)c2ccccc2)C1 ZINC001481669305 1080276443 /nfs/dbraw/zinc/27/64/43/1080276443.db2.gz HMCQNIFPMIYWMN-OAHLLOKOSA-N 1 3 303.450 2.136 20 0 DEADHO Cc1ccc(C[N@@H+](C)CCCNC(=O)C2(N(C)C)CCC2)cc1 ZINC001660169565 1080281172 /nfs/dbraw/zinc/28/11/72/1080281172.db2.gz BASZRYAMHCACQK-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO Cc1ccc(C[N@H+](C)CCCNC(=O)C2(N(C)C)CCC2)cc1 ZINC001660169565 1080281180 /nfs/dbraw/zinc/28/11/80/1080281180.db2.gz BASZRYAMHCACQK-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO CCCCCC[NH+]1CC([C@@H](C)NC(=O)CN2CC[C@H](C)C2)C1 ZINC001485525370 1080281812 /nfs/dbraw/zinc/28/18/12/1080281812.db2.gz FQWJOLAEPLVYCB-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CCC3CCCC3)C2)C1 ZINC001485695067 1080380043 /nfs/dbraw/zinc/38/00/43/1080380043.db2.gz ABRLQWCRHWYQHB-KBAYOESNSA-N 1 3 321.509 2.393 20 0 DEADHO CCCN(C)CC(=O)N1CCC([N@H+](C)CC2CC(C)C2)CC1 ZINC001485767254 1080423063 /nfs/dbraw/zinc/42/30/63/1080423063.db2.gz VOVFOOCWWZAAKA-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CCCN(C)CC(=O)N1CCC([N@@H+](C)CC2CC(C)C2)CC1 ZINC001485767254 1080423068 /nfs/dbraw/zinc/42/30/68/1080423068.db2.gz VOVFOOCWWZAAKA-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CCN(CC[NH2+]Cc1ccccc1)C(=O)C1(N(C)C)CCC1 ZINC001268454734 1080498026 /nfs/dbraw/zinc/49/80/26/1080498026.db2.gz YXLVZMQJZWVCTP-UHFFFAOYSA-N 1 3 303.450 2.109 20 0 DEADHO CCN(CC[NH2+]CCc1cccs1)C(=O)CN1CC[C@H](C)C1 ZINC001268479925 1080594010 /nfs/dbraw/zinc/59/40/10/1080594010.db2.gz XVAYEUUOHVDVBI-HNNXBMFYSA-N 1 3 323.506 2.071 20 0 DEADHO CC(C)C[NH2+]C[C@](C)(NC(=O)[C@@H]1CCCN1C(C)C)C1CC1 ZINC001481930705 1080619818 /nfs/dbraw/zinc/61/98/18/1080619818.db2.gz IKHKRKXMRPXJLW-WMZOPIPTSA-N 1 3 309.498 2.390 20 0 DEADHO CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001662639418 1080624957 /nfs/dbraw/zinc/62/49/57/1080624957.db2.gz BNLZFNARKQPHMI-AWFCHZOYSA-N 1 3 307.482 2.265 20 0 DEADHO CC[C@H](F)C[NH2+]CCN(CC)C(=O)[C@@H]1CCCCN1CC ZINC001268499663 1080648340 /nfs/dbraw/zinc/64/83/40/1080648340.db2.gz OLUNBIFVZLEZFY-GJZGRUSLSA-N 1 3 301.450 2.047 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]C/C=C\Cl)C1)N(C)C ZINC001481984286 1080669236 /nfs/dbraw/zinc/66/92/36/1080669236.db2.gz OAUZCZYRUNNLGL-MYEIUBSTSA-N 1 3 315.889 2.297 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3ccccc3)C[C@H]21 ZINC001114998205 1080743213 /nfs/dbraw/zinc/74/32/13/1080743213.db2.gz PVNWBXJHMDDHCD-ITQYTPKQSA-N 1 3 315.461 2.136 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3ccccc3)C[C@H]21 ZINC001114998205 1080743219 /nfs/dbraw/zinc/74/32/19/1080743219.db2.gz PVNWBXJHMDDHCD-ITQYTPKQSA-N 1 3 315.461 2.136 20 0 DEADHO CC[NH+](CC)C1CCN(C(=O)NCCN2CCC(C)CC2)CC1 ZINC000079983507 1080918135 /nfs/dbraw/zinc/91/81/35/1080918135.db2.gz IIFGIJBBCWXBAJ-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO CC(C)N(C/C=C/Cl)CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001664552660 1080925159 /nfs/dbraw/zinc/92/51/59/1080925159.db2.gz BZNLUSWDIMMPLF-SZTZYQKNSA-N 1 3 315.889 2.297 20 0 DEADHO CC(C)N(C/C=C/Cl)CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001664552660 1080925163 /nfs/dbraw/zinc/92/51/63/1080925163.db2.gz BZNLUSWDIMMPLF-SZTZYQKNSA-N 1 3 315.889 2.297 20 0 DEADHO CCCCC[NH2+]C[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001268704681 1080943853 /nfs/dbraw/zinc/94/38/53/1080943853.db2.gz MVUNRFOWYYWVNM-YOEHRIQHSA-N 1 3 315.477 2.483 20 0 DEADHO CN(CCC[NH2+]C/C=C\c1ccccc1)C(=O)[C@@H]1CCCN1C ZINC001268783273 1080989113 /nfs/dbraw/zinc/98/91/13/1080989113.db2.gz GJUFWSUCKZCROE-SNMSSPIJSA-N 1 3 315.461 2.232 20 0 DEADHO CCC/C=C\CCN1CC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001269330462 1081216281 /nfs/dbraw/zinc/21/62/81/1081216281.db2.gz DHNAIJNIEMNAJC-MBZYTVFJSA-N 1 3 307.482 2.265 20 0 DEADHO CCC/C=C\CCN1CC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001269330462 1081216283 /nfs/dbraw/zinc/21/62/83/1081216283.db2.gz DHNAIJNIEMNAJC-MBZYTVFJSA-N 1 3 307.482 2.265 20 0 DEADHO CC1CCN(CC(=O)N2CCCC[C@H]2CC[NH2+]CC2CC2)CC1 ZINC001667296733 1081234386 /nfs/dbraw/zinc/23/43/86/1081234386.db2.gz SEORFHRCDDOSHG-SFHVURJKSA-N 1 3 321.509 2.489 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CC[C@@H](C)F)CCCC1 ZINC001482236156 1081324806 /nfs/dbraw/zinc/32/48/06/1081324806.db2.gz FZUOCHZBYJFZPP-GFCCVEGCSA-N 1 3 310.417 2.027 20 0 DEADHO CCc1cccc(C[NH2+]CCN(CC)C(=O)[C@@H]2CCCN2C)c1 ZINC001668381667 1081348519 /nfs/dbraw/zinc/34/85/19/1081348519.db2.gz FRAFOUVPONGFHH-SFHVURJKSA-N 1 3 317.477 2.281 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCCC1CCC1)N(C)C ZINC001270076761 1081443677 /nfs/dbraw/zinc/44/36/77/1081443677.db2.gz POUGSSODPAZJNJ-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)NC1(C)CC[NH+](CCCCCF)CC1 ZINC001270266376 1081490384 /nfs/dbraw/zinc/49/03/84/1081490384.db2.gz DPWIIGFYEYZBDH-UHFFFAOYSA-N 1 3 315.477 2.437 20 0 DEADHO CC[C@H](C(=O)N(C)CCC[NH2+]Cc1ccccc1F)N(C)C ZINC001670315972 1081510395 /nfs/dbraw/zinc/51/03/95/1081510395.db2.gz LGOWSSIBRAJTLG-MRXNPFEDSA-N 1 3 309.429 2.104 20 0 DEADHO CC(C)=CC[NH2+]C[C@]1(C)CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001671785413 1081538776 /nfs/dbraw/zinc/53/87/76/1081538776.db2.gz SMIFETHACMAQAB-AEFFLSMTSA-N 1 3 307.482 2.123 20 0 DEADHO O=C(CN1CCCC1)N1CC[C@H](CC[NH2+]Cc2ccccc2)C1 ZINC001672911514 1081720592 /nfs/dbraw/zinc/72/05/92/1081720592.db2.gz VUNHVEATNYFZRS-SFHVURJKSA-N 1 3 315.461 2.111 20 0 DEADHO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCN1C1CCCCC1)C2 ZINC001270915989 1081835219 /nfs/dbraw/zinc/83/52/19/1081835219.db2.gz LGPCHBWHXHSIOJ-MJGOQNOKSA-N 1 3 319.493 2.338 20 0 DEADHO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCN1C1CCCCC1)C2 ZINC001270915989 1081835226 /nfs/dbraw/zinc/83/52/26/1081835226.db2.gz LGPCHBWHXHSIOJ-MJGOQNOKSA-N 1 3 319.493 2.338 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001480874994 1082049544 /nfs/dbraw/zinc/04/95/44/1082049544.db2.gz NCDREOVXCURFRR-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC001480874994 1082049548 /nfs/dbraw/zinc/04/95/48/1082049548.db2.gz NCDREOVXCURFRR-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CC/C=C\CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001266494005 1082073533 /nfs/dbraw/zinc/07/35/33/1082073533.db2.gz HZLIRIIJKQDRHM-YKZUCCNHSA-N 1 3 307.482 2.360 20 0 DEADHO CCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001271646246 1082099296 /nfs/dbraw/zinc/09/92/96/1082099296.db2.gz SRNFJGZWVPPKPP-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCC=C(Cl)Cl)C1 ZINC001502750170 1082121433 /nfs/dbraw/zinc/12/14/33/1082121433.db2.gz CSCSLBIVLXBDLA-NWDGAFQWSA-N 1 3 322.280 2.084 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCC=C(Cl)Cl)C1 ZINC001502750170 1082121439 /nfs/dbraw/zinc/12/14/39/1082121439.db2.gz CSCSLBIVLXBDLA-NWDGAFQWSA-N 1 3 322.280 2.084 20 0 DEADHO CC1CCN(CC(=O)N2CCC[C@H](C[NH2+]CCC3CC3)C2)CC1 ZINC001266814308 1082364919 /nfs/dbraw/zinc/36/49/19/1082364919.db2.gz NQPIDUVNVONMEC-GOSISDBHSA-N 1 3 321.509 2.347 20 0 DEADHO CN(CC[N@H+](C)CC1=CCCCC1)C(=O)[C@@H]1CCCCN1C ZINC001482620525 1082417042 /nfs/dbraw/zinc/41/70/42/1082417042.db2.gz QFQQJUNSKWVELO-KRWDZBQOSA-N 1 3 307.482 2.361 20 0 DEADHO CN(CC[N@@H+](C)CC1=CCCCC1)C(=O)[C@@H]1CCCCN1C ZINC001482620525 1082417046 /nfs/dbraw/zinc/41/70/46/1082417046.db2.gz QFQQJUNSKWVELO-KRWDZBQOSA-N 1 3 307.482 2.361 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[N@@H+](CC[C@H](C)F)CC1 ZINC001424275985 1082444220 /nfs/dbraw/zinc/44/42/20/1082444220.db2.gz GTZMISIMANAMEF-LSDHHAIUSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[N@H+](CC[C@H](C)F)CC1 ZINC001424275985 1082444225 /nfs/dbraw/zinc/44/42/25/1082444225.db2.gz GTZMISIMANAMEF-LSDHHAIUSA-N 1 3 301.450 2.045 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cccc(C)c1)N(C)C ZINC001482874780 1082540476 /nfs/dbraw/zinc/54/04/76/1082540476.db2.gz LEICUKQZDZTYRI-RDJZCZTQSA-N 1 3 305.466 2.320 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001483198772 1082803594 /nfs/dbraw/zinc/80/35/94/1082803594.db2.gz ZHDGMBBFYWDIAE-CJNGLKHVSA-N 1 3 309.429 2.204 20 0 DEADHO CC(C)[C@@H](CCN(C)C(=O)[C@H]1CCCN1C)[NH2+]CCC1CC1 ZINC001409771143 1083049445 /nfs/dbraw/zinc/04/94/45/1083049445.db2.gz MCEVNTJHWPLCHE-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCCF)CC2 ZINC001107615186 1083520602 /nfs/dbraw/zinc/52/06/02/1083520602.db2.gz WGIDNOQZSRKXKH-NVXWUHKLSA-N 1 3 313.461 2.049 20 0 DEADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCF)CC2 ZINC001107615186 1083520610 /nfs/dbraw/zinc/52/06/10/1083520610.db2.gz WGIDNOQZSRKXKH-NVXWUHKLSA-N 1 3 313.461 2.049 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2CC[NH+]2CCC(C)CC2)C1 ZINC001413410999 1083567246 /nfs/dbraw/zinc/56/72/46/1083567246.db2.gz FWPIUPASINEEPY-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H](C)CC[NH+](C)C)C2)cc1 ZINC001413425641 1083577318 /nfs/dbraw/zinc/57/73/18/1083577318.db2.gz CUCZKWHWZOVTCS-AEFFLSMTSA-N 1 3 317.477 2.273 20 0 DEADHO CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(-n3cncn3)cc1)C2 ZINC001276871031 1083656554 /nfs/dbraw/zinc/65/65/54/1083656554.db2.gz VYWDIFGTYXRLLW-GOSISDBHSA-N 1 3 311.433 2.185 20 0 DEADHO CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(-n3cncn3)cc1)C2 ZINC001276871031 1083656562 /nfs/dbraw/zinc/65/65/62/1083656562.db2.gz VYWDIFGTYXRLLW-GOSISDBHSA-N 1 3 311.433 2.185 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCC(C)(C)C)C1)N(C)C ZINC001276995694 1083725809 /nfs/dbraw/zinc/72/58/09/1083725809.db2.gz MIKVRLVWNFUIEF-JYJNAYRXSA-N 1 3 311.514 2.493 20 0 DEADHO CC(C)[C@@H](CNC(=O)N[C@@H]1CCN(C)[C@@H]1C)[NH+]1CCC(C)CC1 ZINC001413681656 1083850661 /nfs/dbraw/zinc/85/06/61/1083850661.db2.gz HRKFKEZGLULCFI-BRWVUGGUSA-N 1 3 324.513 2.135 20 0 DEADHO CC(C)[C@@H](CNC(=O)N[C@H]1CCN(C)[C@@H]1C)[NH+]1CCC(C)CC1 ZINC001413681683 1083850717 /nfs/dbraw/zinc/85/07/17/1083850717.db2.gz HRKFKEZGLULCFI-IXDOHACOSA-N 1 3 324.513 2.135 20 0 DEADHO Cc1ccc(NC(=S)NCCC[NH2+]CCCN)c(Cl)c1 ZINC001239395842 1083920458 /nfs/dbraw/zinc/92/04/58/1083920458.db2.gz ACZMFNSDFVJKTP-UHFFFAOYSA-N 1 3 314.886 2.263 20 0 DEADHO CC[C@@H](F)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(CC)CC ZINC001229231708 1083928739 /nfs/dbraw/zinc/92/87/39/1083928739.db2.gz TZXZLOKCJOQRRE-RBSFLKMASA-N 1 3 301.450 2.093 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccns1 ZINC001229232201 1083928963 /nfs/dbraw/zinc/92/89/63/1083928963.db2.gz YYLWANQRJCWXBR-HUUCEWRRSA-N 1 3 324.494 2.002 20 0 DEADHO CCCCCCN(C)CC(=O)NCCC[NH2+]CC[C@@H](C)F ZINC001168594892 1084112377 /nfs/dbraw/zinc/11/23/77/1084112377.db2.gz CYCKEAALGSKJFI-OAHLLOKOSA-N 1 3 303.466 2.343 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001491173970 1084128787 /nfs/dbraw/zinc/12/87/87/1084128787.db2.gz VHRPUQGZQOVOBR-INIZCTEOSA-N 1 3 311.514 2.449 20 0 DEADHO CCOCC[NH+]1CCC2(CCCN(Cc3cn[nH]c3)C2)CC1 ZINC001277858472 1084179616 /nfs/dbraw/zinc/17/96/16/1084179616.db2.gz QAUXTADFBVEDBH-UHFFFAOYSA-N 1 3 306.454 2.124 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC1CC(C)(C)C1)N(C)C ZINC001272845923 1084372839 /nfs/dbraw/zinc/37/28/39/1084372839.db2.gz ZQUPBKSBOMFLNE-HOCLYGCPSA-N 1 3 311.514 2.493 20 0 DEADHO CC(C)(C)OC(=O)[C@@H]1CCN(Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001235714399 1084510392 /nfs/dbraw/zinc/51/03/92/1084510392.db2.gz KVVUQZOBCZCMLX-QGZVFWFLSA-N 1 3 316.445 2.496 20 0 DEADHO COC(=O)c1[nH]c2ccccc2c1CN1CCC(C[NH3+])CC1 ZINC001205040542 1084538280 /nfs/dbraw/zinc/53/82/80/1084538280.db2.gz GBTZXXJDZATWAR-UHFFFAOYSA-N 1 3 301.390 2.125 20 0 DEADHO Cc1cc(OC(C)C)cc(C)c1CN(C)CCN1CC[NH2+]CC1 ZINC001236080919 1084608457 /nfs/dbraw/zinc/60/84/57/1084608457.db2.gz IFXCHBPAKDOCBK-UHFFFAOYSA-N 1 3 319.493 2.428 20 0 DEADHO CC(C)CCC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC001486081200 1085047117 /nfs/dbraw/zinc/04/71/17/1085047117.db2.gz IFGZLEWVGOXAOL-DOTOQJQBSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NC1CC2(C1)CC([NH2+]CC1CCC1)C2 ZINC000965062329 1085511127 /nfs/dbraw/zinc/51/11/27/1085511127.db2.gz IKDZRGLUDPKDSM-AEGNVBMISA-N 1 3 319.493 2.288 20 0 DEADHO CC(C)[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961180346 1085626055 /nfs/dbraw/zinc/62/60/55/1085626055.db2.gz GOYKCWGVJLAFAJ-IRXDYDNUSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961180346 1085626060 /nfs/dbraw/zinc/62/60/60/1085626060.db2.gz GOYKCWGVJLAFAJ-IRXDYDNUSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCCC3)C[C@H]21 ZINC000961769832 1085857544 /nfs/dbraw/zinc/85/75/44/1085857544.db2.gz FBLAYKIFCHMVBC-ITQYTPKQSA-N 1 3 319.493 2.097 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCCC3)C[C@H]21 ZINC000961769832 1085857553 /nfs/dbraw/zinc/85/75/53/1085857553.db2.gz FBLAYKIFCHMVBC-ITQYTPKQSA-N 1 3 319.493 2.097 20 0 DEADHO CC(C)[NH2+]CC1CC(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000962301515 1086059755 /nfs/dbraw/zinc/05/97/55/1086059755.db2.gz NZJINBNXKMOHLQ-MQBCKMQZSA-N 1 3 313.461 2.092 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC2CC(C[NH2+]Cc3ccccc3)C2)C1 ZINC000962309059 1086061131 /nfs/dbraw/zinc/06/11/31/1086061131.db2.gz KHXRWJRIMGMQRV-FAEJEUNOSA-N 1 3 315.461 2.013 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+]Cc1cc(C)ccc1C ZINC001128528857 1086183649 /nfs/dbraw/zinc/18/36/49/1086183649.db2.gz UCQNQKBNBMHDBY-QGZVFWFLSA-N 1 3 323.456 2.189 20 0 DEADHO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963313639 1086403237 /nfs/dbraw/zinc/40/32/37/1086403237.db2.gz HFMSXVYWUVWANT-CVEARBPZSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963313639 1086403244 /nfs/dbraw/zinc/40/32/44/1086403244.db2.gz HFMSXVYWUVWANT-CVEARBPZSA-N 1 3 307.482 2.194 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1C[N@H+](CC2CC2)CC1(C)C)N(CC)CC ZINC001410029494 1087815513 /nfs/dbraw/zinc/81/55/13/1087815513.db2.gz QULSXLDHLOPIOQ-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CC2)CC1(C)C)N(CC)CC ZINC001410029494 1087815533 /nfs/dbraw/zinc/81/55/33/1087815533.db2.gz QULSXLDHLOPIOQ-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](CC1CC1)CC2 ZINC000957517550 1088371274 /nfs/dbraw/zinc/37/12/74/1088371274.db2.gz WBMGZZOXLGUQFH-KRWDZBQOSA-N 1 3 319.493 2.195 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001082748288 1090053539 /nfs/dbraw/zinc/05/35/39/1090053539.db2.gz DZBUUYIKWAQZGV-BMFZPTHFSA-N 1 3 309.498 2.199 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001084345884 1090273374 /nfs/dbraw/zinc/27/33/74/1090273374.db2.gz SHEPTFUQMSCXQO-HZPDHXFCSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001084345884 1090273379 /nfs/dbraw/zinc/27/33/79/1090273379.db2.gz SHEPTFUQMSCXQO-HZPDHXFCSA-N 1 3 307.482 2.194 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001084572140 1090332646 /nfs/dbraw/zinc/33/26/46/1090332646.db2.gz XLRWDEIAIONEBY-BRWVUGGUSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001084572140 1090332653 /nfs/dbraw/zinc/33/26/53/1090332653.db2.gz XLRWDEIAIONEBY-BRWVUGGUSA-N 1 3 321.509 2.440 20 0 DEADHO Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCCN2C)cs1 ZINC001410346497 1090570106 /nfs/dbraw/zinc/57/01/06/1090570106.db2.gz NPNBZLXLWIAPRX-IUODEOHRSA-N 1 3 309.479 2.087 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)N3CCCC3)C[C@@H]21 ZINC001084998156 1090575701 /nfs/dbraw/zinc/57/57/01/1090575701.db2.gz XGBJGCHIXWFXJH-BPQIPLTHSA-N 1 3 319.493 2.194 20 0 DEADHO CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)N3CCCC3)C[C@@H]21 ZINC001084998156 1090575704 /nfs/dbraw/zinc/57/57/04/1090575704.db2.gz XGBJGCHIXWFXJH-BPQIPLTHSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+][C@H](C)c1ccccc1 ZINC001410458152 1090703026 /nfs/dbraw/zinc/70/30/26/1090703026.db2.gz ZFNWRFRZODMSIU-ZIAGYGMSSA-N 1 3 300.406 2.150 20 0 DEADHO CCc1ccccc1C[NH2+]CCN(CC)C(=O)[C@H]1CCCN1C ZINC001273297822 1090782170 /nfs/dbraw/zinc/78/21/70/1090782170.db2.gz CITVXIWBFWNLRV-GOSISDBHSA-N 1 3 317.477 2.281 20 0 DEADHO CCC(CC)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001410865705 1091176153 /nfs/dbraw/zinc/17/61/53/1091176153.db2.gz OBRZMEHXFOQSDU-ZBFHGGJFSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001274299620 1091178018 /nfs/dbraw/zinc/17/80/18/1091178018.db2.gz VJQRGITWDHOUDX-WBVHZDCISA-N 1 3 307.482 2.264 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]C/C=C/CNC(=O)CN(C)C(C)C ZINC001274611943 1091323916 /nfs/dbraw/zinc/32/39/16/1091323916.db2.gz XNKHAYBNIAKFBX-AATRIKPKSA-N 1 3 321.440 2.236 20 0 DEADHO CC(C)=CCC[C@@H](C)CN1C[C@@H]2CN(CC[NH+](C)C)C[C@H](C1)O2 ZINC001275056925 1091531796 /nfs/dbraw/zinc/53/17/96/1091531796.db2.gz GGGASDUSJJDZCR-QRVBRYPASA-N 1 3 323.525 2.316 20 0 DEADHO CCc1ccc(CN2CCCC3(CN(CC[NH+](C)C)C3)C2)nc1 ZINC001276093227 1091542811 /nfs/dbraw/zinc/54/28/11/1091542811.db2.gz WIUKSVARGHSNNL-UHFFFAOYSA-N 1 3 316.493 2.103 20 0 DEADHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(Cc1ccccc1Cl)C2 ZINC001275249711 1091638022 /nfs/dbraw/zinc/63/80/22/1091638022.db2.gz QELLBMZJTKKEDU-ZBFHGGJFSA-N 1 3 307.869 2.408 20 0 DEADHO CCCC[NH2+]CCCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001276227239 1091717945 /nfs/dbraw/zinc/71/79/45/1091717945.db2.gz PHCHMMZWGHQHJJ-KRWDZBQOSA-N 1 3 315.477 2.437 20 0 DEADHO COc1cccc(C)c1CN1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001275531054 1091833539 /nfs/dbraw/zinc/83/35/39/1091833539.db2.gz DQPHJWIYKJBUOA-UHFFFAOYSA-N 1 3 317.477 2.073 20 0 DEADHO CN(C)CCN1CCC2(CC[NH+](C[C@H]3CC=CCC3)CC2)C1=O ZINC001273516829 1091898393 /nfs/dbraw/zinc/89/83/93/1091898393.db2.gz XIEJHWGOETZQGJ-KRWDZBQOSA-N 1 3 319.493 2.219 20 0 DEADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc2ncoc2c1 ZINC001275613883 1091908392 /nfs/dbraw/zinc/90/83/92/1091908392.db2.gz QRQIVMSHJSCBCP-IRXDYDNUSA-N 1 3 314.433 2.038 20 0 DEADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc2ncoc2c1 ZINC001275613883 1091908403 /nfs/dbraw/zinc/90/84/03/1091908403.db2.gz QRQIVMSHJSCBCP-IRXDYDNUSA-N 1 3 314.433 2.038 20 0 DEADHO CCN(CCNCCF)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001273568817 1091927389 /nfs/dbraw/zinc/92/73/89/1091927389.db2.gz CCEYVQPQFAMTSA-MRXNPFEDSA-N 1 3 313.461 2.191 20 0 DEADHO CCN(CCNCCF)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001273568817 1091927394 /nfs/dbraw/zinc/92/73/94/1091927394.db2.gz CCEYVQPQFAMTSA-MRXNPFEDSA-N 1 3 313.461 2.191 20 0 DEADHO CCN(CCNCc1ccccc1F)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001273610280 1091954386 /nfs/dbraw/zinc/95/43/86/1091954386.db2.gz KHOWLZPUCQLKHL-OAHLLOKOSA-N 1 3 321.440 2.106 20 0 DEADHO CCN(CCNCc1ccccc1F)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001273610280 1091954394 /nfs/dbraw/zinc/95/43/94/1091954394.db2.gz KHOWLZPUCQLKHL-OAHLLOKOSA-N 1 3 321.440 2.106 20 0 DEADHO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2Cc1cncc2ccccc21 ZINC001275846702 1092223063 /nfs/dbraw/zinc/22/30/63/1092223063.db2.gz AXMRZCOQYNPEKM-KDURUIRLSA-N 1 3 324.472 2.445 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001493124648 1092286409 /nfs/dbraw/zinc/28/64/09/1092286409.db2.gz OTEDDNSUCYUUDW-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001493124648 1092286421 /nfs/dbraw/zinc/28/64/21/1092286421.db2.gz OTEDDNSUCYUUDW-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001493124624 1092286551 /nfs/dbraw/zinc/28/65/51/1092286551.db2.gz OTEDDNSUCYUUDW-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001493124624 1092286557 /nfs/dbraw/zinc/28/65/57/1092286557.db2.gz OTEDDNSUCYUUDW-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1cccc([C@@H](C)NCC(=O)NC2CC[NH+](C)CC2)c1C ZINC000878363922 1093678667 /nfs/dbraw/zinc/67/86/67/1093678667.db2.gz BORORKQGXBJAOO-OAHLLOKOSA-N 1 3 303.450 2.164 20 0 DEADHO CN(C)CCN1CC[C@@]2(CCC[N@@H+](C3CCCC3)CC2)C1=O ZINC001274025748 1093771869 /nfs/dbraw/zinc/77/18/69/1093771869.db2.gz VQCKPYRHELDMGO-SFHVURJKSA-N 1 3 307.482 2.195 20 0 DEADHO CN(C)CCN1CC[C@@]2(CCC[N@H+](C3CCCC3)CC2)C1=O ZINC001274025748 1093771871 /nfs/dbraw/zinc/77/18/71/1093771871.db2.gz VQCKPYRHELDMGO-SFHVURJKSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001421130224 1171517798 /nfs/dbraw/zinc/51/77/98/1171517798.db2.gz YHLKJEOYOKWDOC-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H]1C[C@@H](NCc2ccccc2Cl)CN1C(=O)CC[NH+](C)C ZINC001369396935 1148928405 /nfs/dbraw/zinc/92/84/05/1148928405.db2.gz DXQLPBCGDMMQDU-DZGCQCFKSA-N 1 3 323.868 2.371 20 0 DEADHO CCOC(=O)[C@@H]1CN(Cc2cc(C)ccc2F)CCC12C[NH2+]C2 ZINC001237429353 1138620580 /nfs/dbraw/zinc/62/05/80/1138620580.db2.gz HBTYRRPRPFLENN-HNNXBMFYSA-N 1 3 320.408 2.109 20 0 DEADHO c1c[nH]c(CN2CCC3(CN(CC[NH+]4CCCCC4)C3)C2)c1 ZINC001278153897 1138804324 /nfs/dbraw/zinc/80/43/24/1138804324.db2.gz KXIVGKYNYXHWSH-UHFFFAOYSA-N 1 3 302.466 2.008 20 0 DEADHO CN1C[C@@H]2C[N@@H+](C[C@@H]3CCCCN3C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000722607158 1138845923 /nfs/dbraw/zinc/84/59/23/1138845923.db2.gz PIXFKHCCTPXOBT-XHSDSOJGSA-N 1 3 323.481 2.269 20 0 DEADHO CN1C[C@@H]2C[N@H+](C[C@@H]3CCCCN3C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000722607158 1138845924 /nfs/dbraw/zinc/84/59/24/1138845924.db2.gz PIXFKHCCTPXOBT-XHSDSOJGSA-N 1 3 323.481 2.269 20 0 DEADHO Cc1ccc(NC(=O)NCCCN(C)CCC[NH3+])cc1Cl ZINC001239231514 1139000499 /nfs/dbraw/zinc/00/04/99/1139000499.db2.gz PRGCQNBCPYMBFX-UHFFFAOYSA-N 1 3 312.845 2.441 20 0 DEADHO NCCC[NH2+]CCCNC(=O)Nc1cccc(C(F)(F)F)c1 ZINC001239253079 1139004921 /nfs/dbraw/zinc/00/49/21/1139004921.db2.gz MZSWAJIJOCJEKU-UHFFFAOYSA-N 1 3 318.343 2.155 20 0 DEADHO CN1CCCC[C@H](C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC001336015548 1140039397 /nfs/dbraw/zinc/03/93/97/1140039397.db2.gz DJWMZXOZWZJBIN-MNOVXSKESA-N 1 3 318.330 2.257 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)NCc2ccsc2)CC1 ZINC001491622229 1140211624 /nfs/dbraw/zinc/21/16/24/1140211624.db2.gz ANBZQKMEAFCCJI-CQSZACIVSA-N 1 3 323.506 2.463 20 0 DEADHO C[NH+](C)CCCOc1ccc(-c2ncc3c(n2)CNCC3)cc1 ZINC001245335617 1140619230 /nfs/dbraw/zinc/61/92/30/1140619230.db2.gz QRFBUJCDDXNFHU-UHFFFAOYSA-N 1 3 312.417 2.120 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCCC[C@@H]2CC[NH2+]CC2CC2)C1 ZINC001319775624 1140711753 /nfs/dbraw/zinc/71/17/53/1140711753.db2.gz WVOLLTRLNDQCRK-DOTOQJQBSA-N 1 3 307.482 2.099 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@H]1CC[NH2+]CC1CCC1)N(C)C ZINC001319789113 1140716295 /nfs/dbraw/zinc/71/62/95/1140716295.db2.gz XLXJWOZFMSXHEK-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CC[C@H](CNC[C@@H](O)COc2ccc(Cl)cc2)C[NH2+]1 ZINC001245975829 1140840587 /nfs/dbraw/zinc/84/05/87/1140840587.db2.gz QPZUYEONOLHKHM-UMVBOHGHSA-N 1 3 312.841 2.057 20 0 DEADHO CCCC[C@H](CC)COCCC[NH2+]C[C@]1(O)CCCNC1 ZINC001245991955 1140842960 /nfs/dbraw/zinc/84/29/60/1140842960.db2.gz WVQMHNRGSLJMOG-IRXDYDNUSA-N 1 3 300.487 2.314 20 0 DEADHO C[C@]1([NH3+])CCCN(C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC001246025571 1140849481 /nfs/dbraw/zinc/84/94/81/1140849481.db2.gz YZLBNKZEFDQECJ-ZBFHGGJFSA-N 1 3 312.841 2.283 20 0 DEADHO F[C@@H]1CNCC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001246084526 1140858246 /nfs/dbraw/zinc/85/82/46/1140858246.db2.gz FQTXWTURERSQFB-FQBWVUSXSA-N 1 3 317.452 2.472 20 0 DEADHO F[C@@H]1CNCC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246084526 1140858247 /nfs/dbraw/zinc/85/82/47/1140858247.db2.gz FQTXWTURERSQFB-FQBWVUSXSA-N 1 3 317.452 2.472 20 0 DEADHO Cc1ccc(SC[C@H](C)[NH2+]C[C@]2(O)CCNC[C@@H]2F)cc1 ZINC001246081117 1140858560 /nfs/dbraw/zinc/85/85/60/1140858560.db2.gz ISNQAHPRNPWGSI-CWRNSKLLSA-N 1 3 312.454 2.128 20 0 DEADHO O=C(c1ccccc1)N1CCC[C@H]([NH2+][C@H]2CCCCNC2)C1 ZINC001246089363 1140859368 /nfs/dbraw/zinc/85/93/68/1140859368.db2.gz DHMGBUSQHRFGLW-IRXDYDNUSA-N 1 3 301.434 2.023 20 0 DEADHO O=C1CC[C@@H](N[C@@H]2CCCC[NH2+]C2)CCN1Cc1ccccc1 ZINC001246092482 1140860273 /nfs/dbraw/zinc/86/02/73/1140860273.db2.gz RXYFXNZTGKURBJ-QZTJIDSGSA-N 1 3 315.461 2.299 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@H]1CN[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001246111993 1140862693 /nfs/dbraw/zinc/86/26/93/1140862693.db2.gz PWMWFXSHWWPVQT-RYQLBKOJSA-N 1 3 315.461 2.155 20 0 DEADHO CCOC(=O)[C@@H]1C[NH2+]CC[C@H]1N[C@@H](C)Cc1ccccc1Cl ZINC001246204231 1140872688 /nfs/dbraw/zinc/87/26/88/1140872688.db2.gz YOTQUJDKSQEJNV-JGGQBBKZSA-N 1 3 324.852 2.402 20 0 DEADHO CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1N[C@H](C)Cc1ccccc1Cl ZINC001246204233 1140872808 /nfs/dbraw/zinc/87/28/08/1140872808.db2.gz YOTQUJDKSQEJNV-XPKDYRNWSA-N 1 3 324.852 2.402 20 0 DEADHO Nc1ncc(CC[NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)s1 ZINC001246320165 1140883924 /nfs/dbraw/zinc/88/39/24/1140883924.db2.gz HOOJOJWGLOULQS-CABCVRRESA-N 1 3 316.474 2.221 20 0 DEADHO Nc1ncc(CCN[C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)s1 ZINC001246320165 1140883925 /nfs/dbraw/zinc/88/39/25/1140883925.db2.gz HOOJOJWGLOULQS-CABCVRRESA-N 1 3 316.474 2.221 20 0 DEADHO Fc1cc(F)cc(CN2CCC(N[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC001246361793 1140888368 /nfs/dbraw/zinc/88/83/68/1140888368.db2.gz YFZXBVOXOKAFCY-QGZVFWFLSA-N 1 3 309.404 2.271 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)CC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001320642824 1140888976 /nfs/dbraw/zinc/88/89/76/1140888976.db2.gz BESMDPSUEVTYLB-ZIAGYGMSSA-N 1 3 319.440 2.246 20 0 DEADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)NCC[NH2+]CCO ZINC001246377182 1140890998 /nfs/dbraw/zinc/89/09/98/1140890998.db2.gz DTXYPYXQBNAQKU-NSHDSACASA-N 1 3 305.249 2.486 20 0 DEADHO O=C(N[C@H]1CC[C@H]([NH2+]C2CCNCC2)CC1)c1ccc(F)cc1 ZINC001246402174 1140894394 /nfs/dbraw/zinc/89/43/94/1140894394.db2.gz KBNANRWRGCGTAE-WKILWMFISA-N 1 3 319.424 2.208 20 0 DEADHO CCN(CC[NH2+]Cc1ccc(C)cc1C)C(=O)[C@@H]1CCCN1C ZINC001320694438 1140896045 /nfs/dbraw/zinc/89/60/45/1140896045.db2.gz LVSZYAPSBQDTEE-SFHVURJKSA-N 1 3 317.477 2.336 20 0 DEADHO Cc1cccc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCOCC2)n1 ZINC001246438953 1140898897 /nfs/dbraw/zinc/89/88/97/1140898897.db2.gz LJQAZOIBYSZQMU-SJPCQFCGSA-N 1 3 315.461 2.311 20 0 DEADHO Brc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC13CNC3)CC2 ZINC001246442945 1140899647 /nfs/dbraw/zinc/89/96/47/1140899647.db2.gz FGVKZIHBTWOTQE-KBPBESRZSA-N 1 3 307.235 2.258 20 0 DEADHO C[C@@H]1C[C@@H](N2C[C@@H](F)[C@@H](N)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001246525686 1140935959 /nfs/dbraw/zinc/93/59/59/1140935959.db2.gz KJEGUDLURUZZNQ-PEZLKRJXSA-N 1 3 305.441 2.409 20 0 DEADHO C[C@@H]1C[C@@H](N2C[C@@H](F)[C@@H](N)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246525686 1140935972 /nfs/dbraw/zinc/93/59/72/1140935972.db2.gz KJEGUDLURUZZNQ-PEZLKRJXSA-N 1 3 305.441 2.409 20 0 DEADHO COC(=O)c1ccc(C[C@H](C)N2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001246570356 1140974211 /nfs/dbraw/zinc/97/42/11/1140974211.db2.gz PMDHQFQYKCRVCO-RCBQFDQVSA-N 1 3 308.397 2.165 20 0 DEADHO CCOC(=O)c1ccc(C[C@H](C)[N@@H+]2CCNC[C@@H](C)C2)cc1 ZINC001246575937 1140979610 /nfs/dbraw/zinc/97/96/10/1140979610.db2.gz YATPGRYWGWGJPK-CABCVRRESA-N 1 3 304.434 2.336 20 0 DEADHO CCOC(=O)c1ccc(C[C@H](C)[N@H+]2CCNC[C@@H](C)C2)cc1 ZINC001246575937 1140979619 /nfs/dbraw/zinc/97/96/19/1140979619.db2.gz YATPGRYWGWGJPK-CABCVRRESA-N 1 3 304.434 2.336 20 0 DEADHO Cc1ccc(CC[C@@H](C)N2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001246616869 1141005459 /nfs/dbraw/zinc/00/54/59/1141005459.db2.gz FWPPJNCGORQAFC-NEWSRXKRSA-N 1 3 301.478 2.342 20 0 DEADHO COc1cc2c(cc1OC)[C@@H](CN(C)[C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246873778 1141097343 /nfs/dbraw/zinc/09/73/43/1141097343.db2.gz ATUAKPXABBRZGM-CFVMTHIKSA-N 1 3 304.434 2.416 20 0 DEADHO COc1cc2c(cc1OC)[C@@H](C[N@H+](C)[C@H]1CCN[C@@H](C)C1)C2 ZINC001246873778 1141097355 /nfs/dbraw/zinc/09/73/55/1141097355.db2.gz ATUAKPXABBRZGM-CFVMTHIKSA-N 1 3 304.434 2.416 20 0 DEADHO COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)[C@H]1CCN[C@@H](C)C1)C2 ZINC001246873778 1141097364 /nfs/dbraw/zinc/09/73/64/1141097364.db2.gz ATUAKPXABBRZGM-CFVMTHIKSA-N 1 3 304.434 2.416 20 0 DEADHO CC[C@@H](F)CNC/C=C/CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001321315549 1141149817 /nfs/dbraw/zinc/14/98/17/1141149817.db2.gz OTMGMFJKBXTDLX-SQRWCISFSA-N 1 3 313.461 2.117 20 0 DEADHO CN1CCC[C@H](N(Cc2ccccc2F)[C@H]2CCC[NH2+]C2)C1 ZINC001246942112 1141154857 /nfs/dbraw/zinc/15/48/57/1141154857.db2.gz XJMNTTANRQPIFQ-IRXDYDNUSA-N 1 3 305.441 2.474 20 0 DEADHO COC(=O)[C@@H]1CN([C@H]2CC[NH2+][C@H](C)C2)C[C@H]1c1ccccc1 ZINC001246983320 1141215494 /nfs/dbraw/zinc/21/54/94/1141215494.db2.gz HNKAFPQRCLEIRY-BSWAZPDLSA-N 1 3 302.418 2.016 20 0 DEADHO CC1(C)NC[C@@H](c2nc3cc(F)ccc3n2C2CC[NH2+]CC2)O1 ZINC001247026034 1141248948 /nfs/dbraw/zinc/24/89/48/1141248948.db2.gz IXRNLBAJLCNMSZ-HNNXBMFYSA-N 1 3 318.396 2.497 20 0 DEADHO Cc1c(F)ccc(-c2noc([C@H]3CNCC34C[NH2+]C4)n2)c1Cl ZINC001247829374 1141541955 /nfs/dbraw/zinc/54/19/55/1141541955.db2.gz HVWLPTMSTBPBMO-SNVBAGLBSA-N 1 3 322.771 2.114 20 0 DEADHO Cc1ncn(C)c1Nc1ccncc1CNC(=O)OC(C)(C)C ZINC001249817245 1142035160 /nfs/dbraw/zinc/03/51/60/1142035160.db2.gz DWSVVJKDBCTYTQ-UHFFFAOYSA-N 1 3 317.393 2.314 20 0 DEADHO Cc1ncn(C)c1Nc1cc[nH+]cc1CNC(=O)OC(C)(C)C ZINC001249817245 1142035169 /nfs/dbraw/zinc/03/51/69/1142035169.db2.gz DWSVVJKDBCTYTQ-UHFFFAOYSA-N 1 3 317.393 2.314 20 0 DEADHO Cc1[nH+]cn(C)c1Nc1ccncc1CNC(=O)OC(C)(C)C ZINC001249817245 1142035181 /nfs/dbraw/zinc/03/51/81/1142035181.db2.gz DWSVVJKDBCTYTQ-UHFFFAOYSA-N 1 3 317.393 2.314 20 0 DEADHO CC(C)CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001278564796 1142180391 /nfs/dbraw/zinc/18/03/91/1142180391.db2.gz LJLAJOMPLAIAQC-HZPDHXFCSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1ccccc1OC[C@H](O)C[NH2+]CCCN1CCCCC1 ZINC001251736115 1142500031 /nfs/dbraw/zinc/50/00/31/1142500031.db2.gz ITAATTUUJBLXAI-QGZVFWFLSA-N 1 3 306.450 2.200 20 0 DEADHO CCCC[C@@H](O)C[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001252118959 1142647392 /nfs/dbraw/zinc/64/73/92/1142647392.db2.gz PDFWNRGMPCDONT-GOSISDBHSA-N 1 3 305.466 2.434 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](NC[C@H](O)COCc2ccccc2)[C@H](C)C1 ZINC001252310264 1142682533 /nfs/dbraw/zinc/68/25/33/1142682533.db2.gz IOFGIEIHZWHRGF-NEWSRXKRSA-N 1 3 320.477 2.273 20 0 DEADHO CC(C)[N@H+]1CC[C@H](NC[C@H](O)COCc2ccccc2)[C@H](C)C1 ZINC001252310264 1142682539 /nfs/dbraw/zinc/68/25/39/1142682539.db2.gz IOFGIEIHZWHRGF-NEWSRXKRSA-N 1 3 320.477 2.273 20 0 DEADHO Cc1cccc(CNC2CC[NH+](CCC(=O)N(C)C)CC2)c1C ZINC001414084189 1142826560 /nfs/dbraw/zinc/82/65/60/1142826560.db2.gz UIGUCAYOXNYAKW-UHFFFAOYSA-N 1 3 317.477 2.336 20 0 DEADHO CC[NH+](CC)C[C@H](O)CNCCc1c[nH]c2cc(C)ccc12 ZINC001253207005 1142854268 /nfs/dbraw/zinc/85/42/68/1142854268.db2.gz WHSFUISMLIVMLX-MRXNPFEDSA-N 1 3 303.450 2.311 20 0 DEADHO CC[NH+](CC)C[C@@H](O)CNCC1(Cc2ccccc2OC)CC1 ZINC001253211357 1142854450 /nfs/dbraw/zinc/85/44/50/1142854450.db2.gz FKGLITOIRVJBPB-KRWDZBQOSA-N 1 3 320.477 2.310 20 0 DEADHO CC[NH+](CC)C[C@H](O)CNC1(Cc2ccccc2)CCOCC1 ZINC001253212451 1142854825 /nfs/dbraw/zinc/85/48/25/1142854825.db2.gz GRYGPADZAMVWPB-GOSISDBHSA-N 1 3 320.477 2.071 20 0 DEADHO CCN(CC)C[C@@H](O)C[NH2+][C@@H]1CSc2cc(OC)ccc2C1 ZINC001253216157 1142855587 /nfs/dbraw/zinc/85/55/87/1142855587.db2.gz IWSBRGUJZODYBW-GJZGRUSLSA-N 1 3 324.490 2.004 20 0 DEADHO CC(C)(C)[NH2+]C[C@@H](O)CNCC1(c2ccccc2)CCOCC1 ZINC001253410880 1142870434 /nfs/dbraw/zinc/87/04/34/1142870434.db2.gz VPPNQMQIODGWSP-KRWDZBQOSA-N 1 3 320.477 2.073 20 0 DEADHO CC(C)[C@H](O)C[N@@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC001253768676 1142921037 /nfs/dbraw/zinc/92/10/37/1142921037.db2.gz WKFAYJKIUWDALT-GBESFXJTSA-N 1 3 302.462 2.457 20 0 DEADHO CC(C)[C@H](O)C[N@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC001253768676 1142921045 /nfs/dbraw/zinc/92/10/45/1142921045.db2.gz WKFAYJKIUWDALT-GBESFXJTSA-N 1 3 302.462 2.457 20 0 DEADHO CC(C)[C@H](O)CN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001253768676 1142921066 /nfs/dbraw/zinc/92/10/66/1142921066.db2.gz WKFAYJKIUWDALT-GBESFXJTSA-N 1 3 302.462 2.457 20 0 DEADHO CC(C)[C@H](O)CN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001253768676 1142921079 /nfs/dbraw/zinc/92/10/79/1142921079.db2.gz WKFAYJKIUWDALT-GBESFXJTSA-N 1 3 302.462 2.457 20 0 DEADHO Cc1ccc(OC[C@H](O)C[NH2+]CCCN2CCCCC2)cc1 ZINC001253844605 1142983737 /nfs/dbraw/zinc/98/37/37/1142983737.db2.gz UNKWBKLXWSVOJC-QGZVFWFLSA-N 1 3 306.450 2.200 20 0 DEADHO OC1(C[NH+]2CC3CC(C3)C2)CCN(Cc2ccccc2)CC1 ZINC001254041490 1143030639 /nfs/dbraw/zinc/03/06/39/1143030639.db2.gz KLQYNXFRJSTWQM-UHFFFAOYSA-N 1 3 300.446 2.355 20 0 DEADHO NCCC[NH2+]CCCCn1cc(CSc2ccccc2)nn1 ZINC001254162852 1143050965 /nfs/dbraw/zinc/05/09/65/1143050965.db2.gz ICQREFZZDWPZDF-UHFFFAOYSA-N 1 3 319.478 2.289 20 0 DEADHO NCCC[NH2+]CCCCn1cc(-c2c[nH]c3ccccc23)nn1 ZINC001254163558 1143051395 /nfs/dbraw/zinc/05/13/95/1143051395.db2.gz RLFHWPFYAZGTPU-UHFFFAOYSA-N 1 3 312.421 2.145 20 0 DEADHO CN1CCC[C@H]([N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)CC1 ZINC001254517328 1143173512 /nfs/dbraw/zinc/17/35/12/1143173512.db2.gz UMWUMXQIWXQQTD-LSDHHAIUSA-N 1 3 323.481 2.460 20 0 DEADHO CN1CCC[C@H]([N@H+]2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)CC1 ZINC001254517328 1143173538 /nfs/dbraw/zinc/17/35/38/1143173538.db2.gz UMWUMXQIWXQQTD-LSDHHAIUSA-N 1 3 323.481 2.460 20 0 DEADHO Cc1cccnc1N1CCCN([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254523609 1143203996 /nfs/dbraw/zinc/20/39/96/1143203996.db2.gz QCMOYCIAGLQDLO-KRWDZBQOSA-N 1 3 302.466 2.386 20 0 DEADHO Cc1cccnc1N1CCCN([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254523609 1143204016 /nfs/dbraw/zinc/20/40/16/1143204016.db2.gz QCMOYCIAGLQDLO-KRWDZBQOSA-N 1 3 302.466 2.386 20 0 DEADHO C[N@@H+]1CCC[C@@H](N2CCN(CCc3cccs3)CC2)CC1 ZINC001254522183 1143206269 /nfs/dbraw/zinc/20/62/69/1143206269.db2.gz DLKLWKDPSNWPOU-MRXNPFEDSA-N 1 3 307.507 2.393 20 0 DEADHO C[N@H+]1CCC[C@@H](N2CCN(CCc3cccs3)CC2)CC1 ZINC001254522183 1143206310 /nfs/dbraw/zinc/20/63/10/1143206310.db2.gz DLKLWKDPSNWPOU-MRXNPFEDSA-N 1 3 307.507 2.393 20 0 DEADHO CN1CCC[C@@H]([NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)CC1 ZINC001254529600 1143216873 /nfs/dbraw/zinc/21/68/73/1143216873.db2.gz OOMRYLPEYVALDA-KGLIPLIRSA-N 1 3 308.388 2.496 20 0 DEADHO C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CCN([C@@H]3CCSC3)C2)C1 ZINC001255284435 1143539484 /nfs/dbraw/zinc/53/94/84/1143539484.db2.gz LOLSCLOVLAMWQS-BRWVUGGUSA-N 1 3 310.507 2.172 20 0 DEADHO C[N@H+]1C[C@H](COCC2CC2)[C@]2(CCN([C@@H]3CCSC3)C2)C1 ZINC001255284435 1143539499 /nfs/dbraw/zinc/53/94/99/1143539499.db2.gz LOLSCLOVLAMWQS-BRWVUGGUSA-N 1 3 310.507 2.172 20 0 DEADHO Cc1ccccc1CN1CC[C@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001479240242 1143801153 /nfs/dbraw/zinc/80/11/53/1143801153.db2.gz DHJSLUVAGRHILP-SFHVURJKSA-N 1 3 317.477 2.370 20 0 DEADHO C[C@@H](CSc1ccc(F)cc1)NCCC[N@H+](C)CCO ZINC001255739996 1143804687 /nfs/dbraw/zinc/80/46/87/1143804687.db2.gz MJLSEASKYXJHRL-ZDUSSCGKSA-N 1 3 300.443 2.210 20 0 DEADHO C[C@@H](CSc1ccc(F)cc1)NCCC[N@@H+](C)CCO ZINC001255739996 1143804688 /nfs/dbraw/zinc/80/46/88/1143804688.db2.gz MJLSEASKYXJHRL-ZDUSSCGKSA-N 1 3 300.443 2.210 20 0 DEADHO CC[NH+](CC)CC[C@H](C)N[C@H]1CCN(Cc2cccnc2)C1 ZINC001255952554 1143816241 /nfs/dbraw/zinc/81/62/41/1143816241.db2.gz FFJOPBYAIKGHDI-WMZOPIPTSA-N 1 3 304.482 2.366 20 0 DEADHO C[C@@H](Cc1ccccn1)N[C@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001256403427 1143846735 /nfs/dbraw/zinc/84/67/35/1143846735.db2.gz YSWRKDMPYANSPQ-ZFWWWQNUSA-N 1 3 322.453 2.192 20 0 DEADHO c1nc(C[NH2+]C2CCC(N3CCOCC3)CC2)cn1C1CCC1 ZINC001256687240 1143862305 /nfs/dbraw/zinc/86/23/05/1143862305.db2.gz QTKMLBVARLAFKF-UHFFFAOYSA-N 1 3 318.465 2.341 20 0 DEADHO O[C@@H](C[NH2+]C1CCC(N2CCOCC2)CC1)C1CCCCC1 ZINC001256686188 1143862399 /nfs/dbraw/zinc/86/23/99/1143862399.db2.gz KWGIPUXUBBEDJV-ABHNRTSZSA-N 1 3 310.482 2.161 20 0 DEADHO FC1CCN(C2CN(C3CCN(c4cc[nH+]cc4)CC3)C2)CC1 ZINC001256861056 1143871509 /nfs/dbraw/zinc/87/15/09/1143871509.db2.gz LCNKHPOSBCYIQX-UHFFFAOYSA-N 1 3 318.440 2.169 20 0 DEADHO CCCN1C[C@@H]2C[NH+](C3CCC(CC(=O)OC)CC3)C[C@H]2C1 ZINC001256990350 1143878986 /nfs/dbraw/zinc/87/89/86/1143878986.db2.gz DZVMADKICLREPD-JCCCHCCOSA-N 1 3 308.466 2.382 20 0 DEADHO CC(C)[NH+]1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC001257220449 1143894272 /nfs/dbraw/zinc/89/42/72/1143894272.db2.gz PSWHYEWXCCSJKU-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[C@@H](C)N1CCC([NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC001257320374 1143898001 /nfs/dbraw/zinc/89/80/01/1143898001.db2.gz FZJBVSPCPUFKRM-OAHLLOKOSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C)[NH2+][C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001257427494 1143912483 /nfs/dbraw/zinc/91/24/83/1143912483.db2.gz KNTOLWLFQHBPPE-NVXWUHKLSA-N 1 3 317.477 2.190 20 0 DEADHO COC(=O)C1CCC(N2CCN(c3cc[nH+]cc3C)CC2)CC1 ZINC001257868778 1143957015 /nfs/dbraw/zinc/95/70/15/1143957015.db2.gz POXRSJOWCQJTAQ-UHFFFAOYSA-N 1 3 317.433 2.244 20 0 DEADHO CC(C)CN1CCC([NH2+]CCN2CCCC(F)(F)C2)CC1 ZINC001258004698 1143963775 /nfs/dbraw/zinc/96/37/75/1143963775.db2.gz JRKBBSFLOJIRER-UHFFFAOYSA-N 1 3 303.441 2.428 20 0 DEADHO CC(C)CN1CCC([NH+]2CCC3(CCNC(=O)O3)CC2)CC1 ZINC001258017343 1143966128 /nfs/dbraw/zinc/96/61/28/1143966128.db2.gz FFQHWOCNCZYNKM-UHFFFAOYSA-N 1 3 309.454 2.071 20 0 DEADHO CCC[NH+]1CCC(N2CCC3(C[C@H]3C(=O)N(C)C)CC2)CC1 ZINC001258774837 1144040799 /nfs/dbraw/zinc/04/07/99/1144040799.db2.gz QIYXPAMNCWQKBC-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CCCN1CCC([N@@H+]2CC[C@@H](Oc3ncc(C)cn3)C2)CC1 ZINC001258777714 1144041527 /nfs/dbraw/zinc/04/15/27/1144041527.db2.gz FJWJXWDZNWUVRJ-MRXNPFEDSA-N 1 3 304.438 2.113 20 0 DEADHO CCCN1CCC([N@H+]2CC[C@@H](Oc3ncc(C)cn3)C2)CC1 ZINC001258777714 1144041530 /nfs/dbraw/zinc/04/15/30/1144041530.db2.gz FJWJXWDZNWUVRJ-MRXNPFEDSA-N 1 3 304.438 2.113 20 0 DEADHO Cc1cc(NC(=O)CCNC[C@@H]2CC[N@@H+](C(C)(C)C)C2)no1 ZINC001262566816 1144319590 /nfs/dbraw/zinc/31/95/90/1144319590.db2.gz BBTPGFMLOXTPNX-ZDUSSCGKSA-N 1 3 308.426 2.022 20 0 DEADHO Cc1cc(NC(=O)CCNC[C@@H]2CC[N@H+](C(C)(C)C)C2)no1 ZINC001262566816 1144319594 /nfs/dbraw/zinc/31/95/94/1144319594.db2.gz BBTPGFMLOXTPNX-ZDUSSCGKSA-N 1 3 308.426 2.022 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCCCC[C@H]([NH2+]CCCF)C2)C1 ZINC001264122872 1144474909 /nfs/dbraw/zinc/47/49/09/1144474909.db2.gz VTJIVDBPEMTIQP-HOTGVXAUSA-N 1 3 313.461 2.049 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH2+]C/C=C\Cl)C1)N(C)C ZINC001265633599 1144719810 /nfs/dbraw/zinc/71/98/10/1144719810.db2.gz ZQFFBSDXYPHQGZ-NEFCLYRVSA-N 1 3 315.889 2.153 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCC2CC2)C1 ZINC001266041230 1144798895 /nfs/dbraw/zinc/79/88/95/1144798895.db2.gz QSKRCUBBMHSBGX-SJORKVTESA-N 1 3 307.482 2.099 20 0 DEADHO CN(C)C1(C(=O)NCC2=CC[N@H+](CC3CCC3)CC2)CCC1 ZINC001279574348 1144824912 /nfs/dbraw/zinc/82/49/12/1144824912.db2.gz SHLFLMYVCLOQDI-UHFFFAOYSA-N 1 3 305.466 2.019 20 0 DEADHO CN(C)C1(C(=O)NCC2=CC[N@@H+](CC3CCC3)CC2)CCC1 ZINC001279574348 1144824913 /nfs/dbraw/zinc/82/49/13/1144824913.db2.gz SHLFLMYVCLOQDI-UHFFFAOYSA-N 1 3 305.466 2.019 20 0 DEADHO CC(C)=CCN(C)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001282410409 1145062436 /nfs/dbraw/zinc/06/24/36/1145062436.db2.gz CNJZBGKEMPZCCS-MRXNPFEDSA-N 1 3 307.482 2.265 20 0 DEADHO CCCNC(=O)CCCN1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001364533603 1145321060 /nfs/dbraw/zinc/32/10/60/1145321060.db2.gz KWFUUJXRHOLKIC-HDICACEKSA-N 1 3 307.482 2.101 20 0 DEADHO CCCNC(=O)CCCN1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001364533603 1145321067 /nfs/dbraw/zinc/32/10/67/1145321067.db2.gz KWFUUJXRHOLKIC-HDICACEKSA-N 1 3 307.482 2.101 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CCC[NH2+]CC1CCCC1 ZINC001283268508 1145340880 /nfs/dbraw/zinc/34/08/80/1145340880.db2.gz MBYXXFUCMIPACZ-CYBMUJFWSA-N 1 3 306.454 2.325 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H](C)[C@@H](C[NH2+]CC3CC3)C2)CC1 ZINC001364635822 1145393691 /nfs/dbraw/zinc/39/36/91/1145393691.db2.gz PZTVHNUGHBLBJJ-AEFFLSMTSA-N 1 3 321.509 2.203 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCC(C)C)C1 ZINC001491856397 1146922541 /nfs/dbraw/zinc/92/25/41/1146922541.db2.gz QMGUMXWDMBQKSS-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H](C)F)C1 ZINC001366163119 1147085453 /nfs/dbraw/zinc/08/54/53/1147085453.db2.gz SQMNEUIQSUAVBU-CAOSSQGBSA-N 1 3 313.461 2.234 20 0 DEADHO Cc1cccc(C)c1CN(C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001492389102 1147235466 /nfs/dbraw/zinc/23/54/66/1147235466.db2.gz KZKCTMHMGSLZCL-UHFFFAOYSA-N 1 3 317.477 2.193 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1C ZINC001366387378 1147246835 /nfs/dbraw/zinc/24/68/35/1147246835.db2.gz CFXJIDAVMOVLCO-SFHVURJKSA-N 1 3 317.477 2.334 20 0 DEADHO Cc1cc(C[NH2+][C@@H](C)CCNC(=O)CN2CC[C@H](C)C2)cs1 ZINC001366486668 1147306949 /nfs/dbraw/zinc/30/69/49/1147306949.db2.gz OMKKRCZASXJYGN-KBPBESRZSA-N 1 3 323.506 2.383 20 0 DEADHO C[C@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CCC1CCCC1 ZINC001366488467 1147307627 /nfs/dbraw/zinc/30/76/27/1147307627.db2.gz QSCBJMRGVMDJFQ-JKSUJKDBSA-N 1 3 309.498 2.393 20 0 DEADHO CN(CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC001366541020 1147339040 /nfs/dbraw/zinc/33/90/40/1147339040.db2.gz NRJVGHXKMGPHDF-KRWDZBQOSA-N 1 3 303.450 2.109 20 0 DEADHO CN(CCNC(=O)CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC001366541020 1147339045 /nfs/dbraw/zinc/33/90/45/1147339045.db2.gz NRJVGHXKMGPHDF-KRWDZBQOSA-N 1 3 303.450 2.109 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)C2(C[NH+](C)C)CC2)c(C)c1 ZINC001366560444 1147354420 /nfs/dbraw/zinc/35/44/20/1147354420.db2.gz FUDQQFMAQZDELR-UHFFFAOYSA-N 1 3 317.477 2.193 20 0 DEADHO CC[C@H](C(=O)NCC1C[NH+](CC2CCC(C)CC2)C1)N(C)C ZINC001366980596 1147628203 /nfs/dbraw/zinc/62/82/03/1147628203.db2.gz BEHIFXLYVVIDEZ-VMBOVVBDSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@@H](C(=O)NCC1C[NH+](Cc2cc(C)ccc2C)C1)N(C)C ZINC001366985967 1147628931 /nfs/dbraw/zinc/62/89/31/1147628931.db2.gz OSQVQUFNOWFKAU-SFHVURJKSA-N 1 3 317.477 2.192 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1)N(C)C ZINC001367008148 1147632010 /nfs/dbraw/zinc/63/20/10/1147632010.db2.gz GDHWWCIDZFIRFM-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1)N(C)C ZINC001367008148 1147632011 /nfs/dbraw/zinc/63/20/11/1147632011.db2.gz GDHWWCIDZFIRFM-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC/C=C/CC[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001317323865 1147690744 /nfs/dbraw/zinc/69/07/44/1147690744.db2.gz VDUPKKSDQIAYQY-SQRWCISFSA-N 1 3 307.482 2.265 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H](CNC(=O)C(C)(C)N1CCCC1)C(C)C ZINC001367476925 1147699817 /nfs/dbraw/zinc/69/98/17/1147699817.db2.gz BGDVOQCEWPODMS-HUUCEWRRSA-N 1 3 315.477 2.339 20 0 DEADHO CC(C)CCCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001367962212 1147805309 /nfs/dbraw/zinc/80/53/09/1147805309.db2.gz RACFGMOBZDYBLY-YESZJQIVSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CCCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001367962212 1147805310 /nfs/dbraw/zinc/80/53/10/1147805310.db2.gz RACFGMOBZDYBLY-YESZJQIVSA-N 1 3 309.498 2.343 20 0 DEADHO CCCCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001326222685 1148059460 /nfs/dbraw/zinc/05/94/60/1148059460.db2.gz DQGCHUMVFRCAOW-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H](CC[NH2+]C/C=C/Cl)C1)N(C)C ZINC001326351453 1148082915 /nfs/dbraw/zinc/08/29/15/1148082915.db2.gz GLMVZGFVSUBIBM-YKHJJTLOSA-N 1 3 315.889 2.153 20 0 DEADHO CCCCC[N@@H+]1CCC[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001327148249 1148336590 /nfs/dbraw/zinc/33/65/90/1148336590.db2.gz RKUNSBKNDAACHA-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO CCCCC[N@H+]1CCC[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001327148249 1148336598 /nfs/dbraw/zinc/33/65/98/1148336598.db2.gz RKUNSBKNDAACHA-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000424031706 290631003 /nfs/dbraw/zinc/63/10/03/290631003.db2.gz BFJVCGSLBBFZQB-JJBZHHBESA-N 1 3 319.493 2.129 20 0 DEADHO C[C@@H](N)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000164845390 197664998 /nfs/dbraw/zinc/66/49/98/197664998.db2.gz HTNHTSCUFQRWDE-RBSFLKMASA-N 1 3 303.450 2.128 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N[C@@]1(C)CC[NH2+]C1)c1ccccc1 ZINC000612861826 361933601 /nfs/dbraw/zinc/93/36/01/361933601.db2.gz CZGOBBSWDNLDME-WMZOPIPTSA-N 1 3 318.465 2.121 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)N(C)CC[NH3+])N(CC)CC)cc1 ZINC000418216061 529708735 /nfs/dbraw/zinc/70/87/35/529708735.db2.gz NRLNPJSIEVONNU-QGZVFWFLSA-N 1 3 320.481 2.232 20 0 DEADHO CCOC(=O)N1CCC([C@H](C)[NH2+]CCCN2CCCC2)CC1 ZINC000186410891 282275669 /nfs/dbraw/zinc/27/56/69/282275669.db2.gz JZOOEJWJLVPCFU-HNNXBMFYSA-N 1 3 311.470 2.319 20 0 DEADHO CCc1nc(CN2CCC(C[NH2+][C@@H]3CCC[C@@H]3N)CC2)cs1 ZINC000422914763 529735835 /nfs/dbraw/zinc/73/58/35/529735835.db2.gz VVTGFLCFOMZSBL-JKSUJKDBSA-N 1 3 322.522 2.387 20 0 DEADHO CCc1nc(CN2CCC(C[NH2+][C@H](C)C3CNC3)CC2)cs1 ZINC000422907715 529735926 /nfs/dbraw/zinc/73/59/26/529735926.db2.gz CEGVTGJSJLQVGF-CYBMUJFWSA-N 1 3 322.522 2.115 20 0 DEADHO CNCc1cccc(NC(=O)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000415921375 530008584 /nfs/dbraw/zinc/00/85/84/530008584.db2.gz RDTHMLDVXGXESL-CQSZACIVSA-N 1 3 304.438 2.259 20 0 DEADHO C[NH2+]C[C@H]1CCCN1C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000418356421 530002468 /nfs/dbraw/zinc/00/24/68/530002468.db2.gz PYLRAUWDSXNRQK-IAGOWNOFSA-N 1 3 318.465 2.203 20 0 DEADHO C[N@@H+]1CCC[C@@]2(CCN(C[C@@H](O)Cc3ccc(F)cc3)C2)C1 ZINC000292903277 530059451 /nfs/dbraw/zinc/05/94/51/530059451.db2.gz GTFWNMWJPXEZJD-ZWKOTPCHSA-N 1 3 306.425 2.147 20 0 DEADHO C[N@H+]1CCC[C@@]2(CCN(C[C@@H](O)Cc3ccc(F)cc3)C2)C1 ZINC000292903277 530059452 /nfs/dbraw/zinc/05/94/52/530059452.db2.gz GTFWNMWJPXEZJD-ZWKOTPCHSA-N 1 3 306.425 2.147 20 0 DEADHO C[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1CN(C)CCO1 ZINC000090575224 539417155 /nfs/dbraw/zinc/41/71/55/539417155.db2.gz QZPXNYQNCYLEGV-YJBOKZPZSA-N 1 3 309.498 2.092 20 0 DEADHO C[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1CN(C)CCO1 ZINC000090575227 539417662 /nfs/dbraw/zinc/41/76/62/539417662.db2.gz QZPXNYQNCYLEGV-CRAIPNDOSA-N 1 3 309.498 2.092 20 0 DEADHO C[C@H](C(=O)NCCN(C)Cc1ccccc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245202473 282383452 /nfs/dbraw/zinc/38/34/52/282383452.db2.gz SQMWGCVDLWAZKH-IXDOHACOSA-N 1 3 317.477 2.496 20 0 DEADHO C[C@H](C(=O)NCCN(C)Cc1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245202473 282383458 /nfs/dbraw/zinc/38/34/58/282383458.db2.gz SQMWGCVDLWAZKH-IXDOHACOSA-N 1 3 317.477 2.496 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1)N1CCCCC1 ZINC000615617981 362660556 /nfs/dbraw/zinc/66/05/56/362660556.db2.gz DLDBRNNICBNIGH-PKOBYXMFSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1)N1CCCCC1 ZINC000615617981 362660557 /nfs/dbraw/zinc/66/05/57/362660557.db2.gz DLDBRNNICBNIGH-PKOBYXMFSA-N 1 3 321.509 2.441 20 0 DEADHO COC[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)OC ZINC000272693802 210099051 /nfs/dbraw/zinc/09/90/51/210099051.db2.gz QFOVZRCGLKKOCE-YDZRNGNQSA-N 1 3 318.461 2.148 20 0 DEADHO COC[C@H](CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)OC ZINC000272693802 210099054 /nfs/dbraw/zinc/09/90/54/210099054.db2.gz QFOVZRCGLKKOCE-YDZRNGNQSA-N 1 3 318.461 2.148 20 0 DEADHO COC[C@H](CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)OC ZINC000272693802 210099058 /nfs/dbraw/zinc/09/90/58/210099058.db2.gz QFOVZRCGLKKOCE-YDZRNGNQSA-N 1 3 318.461 2.148 20 0 DEADHO Cc1cccc(Cl)c1CN[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001480530163 1151842532 /nfs/dbraw/zinc/84/25/32/1151842532.db2.gz COWIBYVSABKYOK-ZDUSSCGKSA-N 1 3 311.857 2.194 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])N(C)C)cc1 ZINC000163599069 539601179 /nfs/dbraw/zinc/60/11/79/539601179.db2.gz KXOAEUWORHDHGV-IXDOHACOSA-N 1 3 303.450 2.095 20 0 DEADHO COc1ccc([C@@H](CNC(=O)CC(C)(C)[NH3+])N2CCCC2)cc1 ZINC000237200647 539743781 /nfs/dbraw/zinc/74/37/81/539743781.db2.gz FAGVPDGZNXOPDD-MRXNPFEDSA-N 1 3 319.449 2.076 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])CCN1Cc1ccccc1 ZINC000237533039 539746964 /nfs/dbraw/zinc/74/69/64/539746964.db2.gz DHOHLOQSLXYXJL-OWLYRPNTSA-N 1 3 315.461 2.283 20 0 DEADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCN(C)C)CC1 ZINC000133698934 186008029 /nfs/dbraw/zinc/00/80/29/186008029.db2.gz QOGLGMDSFRMLOH-OAHLLOKOSA-N 1 3 318.465 2.073 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]C/C=C/c1ccccc1)N(C)C ZINC001480538900 1151845646 /nfs/dbraw/zinc/84/56/46/1151845646.db2.gz SYFWBLUPYNLLFD-PZJZIFHPSA-N 1 3 303.450 2.134 20 0 DEADHO C[C@@H](C1CC1)N(C(=O)CN1CCC([C@H]2CC[NH2+]C2)CC1)C1CC1 ZINC000357072762 295813610 /nfs/dbraw/zinc/81/36/10/295813610.db2.gz HOYZFBGWAAGUDA-YOEHRIQHSA-N 1 3 319.493 2.097 20 0 DEADHO CC[N@H+](Cc1ccc(CN(C)C)cc1)[C@@H](C)CN1CCOCC1 ZINC000626062829 366032653 /nfs/dbraw/zinc/03/26/53/366032653.db2.gz IJMNLHGTHZAYRW-KRWDZBQOSA-N 1 3 319.493 2.291 20 0 DEADHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)[C@@H](C)CN1CCOCC1 ZINC000626062829 366032659 /nfs/dbraw/zinc/03/26/59/366032659.db2.gz IJMNLHGTHZAYRW-KRWDZBQOSA-N 1 3 319.493 2.291 20 0 DEADHO CCCN1CCC([NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000305773185 539875026 /nfs/dbraw/zinc/87/50/26/539875026.db2.gz LLHPURRIGFISAH-MOPGFXCFSA-N 1 3 323.525 2.218 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCC(=O)N(CCN(C)C)Cc1ccco1 ZINC000339241785 539987328 /nfs/dbraw/zinc/98/73/28/539987328.db2.gz RSCUVGDBUZTORS-INIZCTEOSA-N 1 3 321.465 2.434 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCC(=O)N(CCN(C)C)Cc1ccco1 ZINC000339241785 539987330 /nfs/dbraw/zinc/98/73/30/539987330.db2.gz RSCUVGDBUZTORS-INIZCTEOSA-N 1 3 321.465 2.434 20 0 DEADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C1(C)C ZINC000182090970 199385257 /nfs/dbraw/zinc/38/52/57/199385257.db2.gz CTDLCKUIKMKYFK-HZPDHXFCSA-N 1 3 321.465 2.315 20 0 DEADHO C[C@@H](C(=O)N1CCCCCC1)N1CCC(CC[NH+](C)C)CC1 ZINC000056524039 354535836 /nfs/dbraw/zinc/53/58/36/354535836.db2.gz GTQCGJTYQVBXHU-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[NH+]1CCC(NC(=O)N(CCN(C)C)CC(C)C)CC1 ZINC000074710040 355044311 /nfs/dbraw/zinc/04/43/11/355044311.db2.gz CEVCQKXIWRHTAB-UHFFFAOYSA-N 1 3 312.502 2.090 20 0 DEADHO C[C@@H]1CCN(C(=O)CC[NH2+]C2CC2)CCN1Cc1ccccc1 ZINC000382692287 540123619 /nfs/dbraw/zinc/12/36/19/540123619.db2.gz IGBPGYQXIBPUKU-MRXNPFEDSA-N 1 3 315.461 2.252 20 0 DEADHO Cc1cccc(C)c1OC[C@H](O)CN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000388084218 540129550 /nfs/dbraw/zinc/12/95/50/540129550.db2.gz BWNSHAWMQHJGLB-YESZJQIVSA-N 1 3 306.450 2.115 20 0 DEADHO Cc1cccc(C)c1OC[C@H](O)CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000388084218 540129554 /nfs/dbraw/zinc/12/95/54/540129554.db2.gz BWNSHAWMQHJGLB-YESZJQIVSA-N 1 3 306.450 2.115 20 0 DEADHO CN1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC000346337768 283104944 /nfs/dbraw/zinc/10/49/44/283104944.db2.gz ZMNHMETZDIYDAO-VQIMIIECSA-N 1 3 319.493 2.195 20 0 DEADHO CN1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC000346337768 283104945 /nfs/dbraw/zinc/10/49/45/283104945.db2.gz ZMNHMETZDIYDAO-VQIMIIECSA-N 1 3 319.493 2.195 20 0 DEADHO CC(C)N(C)CC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000084365170 355477641 /nfs/dbraw/zinc/47/76/41/355477641.db2.gz LCBNVJFHOXEMBQ-UHFFFAOYSA-N 1 3 317.477 2.450 20 0 DEADHO CCNC(=O)N1CC[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000090411214 355561129 /nfs/dbraw/zinc/56/11/29/355561129.db2.gz GFEARPXYBOUZMF-MRXNPFEDSA-N 1 3 322.497 2.177 20 0 DEADHO COC(=O)c1ccc(CN(C)CC2CC[NH+](C)CC2)cc1F ZINC000089124724 355520673 /nfs/dbraw/zinc/52/06/73/355520673.db2.gz LOCYOGOMVCCUDE-UHFFFAOYSA-N 1 3 308.397 2.386 20 0 DEADHO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000447963598 540186868 /nfs/dbraw/zinc/18/68/68/540186868.db2.gz NOWHOUVFJRUGJD-GJZGRUSLSA-N 1 3 312.502 2.136 20 0 DEADHO CO[C@@H]1CCN(CC[C@H](C)[N@@H+]2CC[C@H](OC)[C@@H](C)C2)C[C@@H]1C ZINC000451565211 540190625 /nfs/dbraw/zinc/19/06/25/540190625.db2.gz LIDNYHLOZYVWHN-TXTZMMAHSA-N 1 3 312.498 2.479 20 0 DEADHO CO[C@@H]1CCN(CC[C@H](C)[N@H+]2CC[C@H](OC)[C@@H](C)C2)C[C@@H]1C ZINC000451565211 540190627 /nfs/dbraw/zinc/19/06/27/540190627.db2.gz LIDNYHLOZYVWHN-TXTZMMAHSA-N 1 3 312.498 2.479 20 0 DEADHO CO[C@@H]1CC[N@@H+](CC[C@H](C)N2CC[C@H](OC)[C@@H](C)C2)C[C@@H]1C ZINC000451565211 540190629 /nfs/dbraw/zinc/19/06/29/540190629.db2.gz LIDNYHLOZYVWHN-TXTZMMAHSA-N 1 3 312.498 2.479 20 0 DEADHO CO[C@@H]1CC[N@H+](CC[C@H](C)N2CC[C@H](OC)[C@@H](C)C2)C[C@@H]1C ZINC000451565211 540190631 /nfs/dbraw/zinc/19/06/31/540190631.db2.gz LIDNYHLOZYVWHN-TXTZMMAHSA-N 1 3 312.498 2.479 20 0 DEADHO CC[C@@H](N)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000130426457 355842167 /nfs/dbraw/zinc/84/21/67/355842167.db2.gz SJTAHFUBCWRBJY-QGZVFWFLSA-N 1 3 303.450 2.416 20 0 DEADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000370763328 283131559 /nfs/dbraw/zinc/13/15/59/283131559.db2.gz IYAWOQDRPKELGR-ABFRBSLYSA-N 1 3 305.466 2.040 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000237539580 356298324 /nfs/dbraw/zinc/29/83/24/356298324.db2.gz ZZZKZDSYXHNSOW-NVXWUHKLSA-N 1 3 303.450 2.315 20 0 DEADHO CC(C)[C@@H](C(=O)Nc1cccc(OCCN(C)C)c1)[C@H](C)[NH3+] ZINC000399631358 283153678 /nfs/dbraw/zinc/15/36/78/283153678.db2.gz GHYZTMPAMRQYBR-XJKSGUPXSA-N 1 3 307.438 2.185 20 0 DEADHO C[C@H](C(=O)NCC[NH+]1CCCCCC1)[C@@H](N)c1ccccc1 ZINC000316533741 356429819 /nfs/dbraw/zinc/42/98/19/356429819.db2.gz KUHQSESDMCHJRT-DOTOQJQBSA-N 1 3 303.450 2.315 20 0 DEADHO CC[NH2+]CC1CCN(CCCn2c3ccccc3[nH]c2=O)CC1 ZINC000320374306 356445073 /nfs/dbraw/zinc/44/50/73/356445073.db2.gz FQHZTODCAPIEFC-UHFFFAOYSA-N 1 3 316.449 2.041 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000618354944 363470389 /nfs/dbraw/zinc/47/03/89/363470389.db2.gz LNJHUDKWMIYSRZ-SFHVURJKSA-N 1 3 317.477 2.104 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000618354944 363470392 /nfs/dbraw/zinc/47/03/92/363470392.db2.gz LNJHUDKWMIYSRZ-SFHVURJKSA-N 1 3 317.477 2.104 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000236885456 202053799 /nfs/dbraw/zinc/05/37/99/202053799.db2.gz NFVNZNRNVACVGP-GVDBMIGSSA-N 1 3 303.450 2.313 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000236939113 202082579 /nfs/dbraw/zinc/08/25/79/202082579.db2.gz TUXURALEZWZRIF-NJAFHUGGSA-N 1 3 317.477 2.041 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000236939113 202082581 /nfs/dbraw/zinc/08/25/81/202082581.db2.gz TUXURALEZWZRIF-NJAFHUGGSA-N 1 3 317.477 2.041 20 0 DEADHO CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000236943206 202084484 /nfs/dbraw/zinc/08/44/84/202084484.db2.gz JHUGMTUPNDMPMR-OIISXLGYSA-N 1 3 303.450 2.141 20 0 DEADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CCCCN2)c1 ZINC000236923125 202073839 /nfs/dbraw/zinc/07/38/39/202073839.db2.gz CEUHLNZARJGULT-KRWDZBQOSA-N 1 3 303.450 2.287 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)N(C)C)cc1 ZINC000236980909 202107220 /nfs/dbraw/zinc/10/72/20/202107220.db2.gz PCXXZLJCECJMTA-KSZLIROESA-N 1 3 317.477 2.485 20 0 DEADHO CN(C)Cc1ccccc1CNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000237039493 202133224 /nfs/dbraw/zinc/13/32/24/202133224.db2.gz SUTPVISMUFSSQJ-GOSISDBHSA-N 1 3 311.429 2.107 20 0 DEADHO C[C@@H]1CCN[C@H](C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000423788333 283204205 /nfs/dbraw/zinc/20/42/05/283204205.db2.gz DEQHOHGBTRISQJ-AEFFLSMTSA-N 1 3 321.509 2.489 20 0 DEADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NCCN(C)Cc1ccccc1 ZINC000386743418 356697851 /nfs/dbraw/zinc/69/78/51/356697851.db2.gz DVUAPNVZHRZNPQ-MRXNPFEDSA-N 1 3 305.466 2.259 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000390006053 356707980 /nfs/dbraw/zinc/70/79/80/356707980.db2.gz WSFORHRVOSGSFR-BPQIPLTHSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000390006056 356707995 /nfs/dbraw/zinc/70/79/95/356707995.db2.gz WSFORHRVOSGSFR-NXHRZFHOSA-N 1 3 315.461 2.155 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618660366 363563701 /nfs/dbraw/zinc/56/37/01/363563701.db2.gz JCXSOZQUUOQSMA-RDJZCZTQSA-N 1 3 307.482 2.384 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618660366 363563709 /nfs/dbraw/zinc/56/37/09/363563709.db2.gz JCXSOZQUUOQSMA-RDJZCZTQSA-N 1 3 307.482 2.384 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cccc(N2CCOCC2)c1 ZINC000578062633 356754886 /nfs/dbraw/zinc/75/48/86/356754886.db2.gz FIXQGYVUZIYAPH-SJLPKXTDSA-N 1 3 303.450 2.130 20 0 DEADHO C[NH+](C)CCOc1ccc(NC(=O)C2(N)CCCCC2)cc1 ZINC000237196493 202184408 /nfs/dbraw/zinc/18/44/08/202184408.db2.gz NSWPWEDTKYRSHX-UHFFFAOYSA-N 1 3 305.422 2.227 20 0 DEADHO c1ccc(NCCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000578348222 356802350 /nfs/dbraw/zinc/80/23/50/356802350.db2.gz ZFOBCSIQFQBINN-APWZRJJASA-N 1 3 324.428 2.339 20 0 DEADHO CC[NH+]1CCC(CNC(=O)[C@H]2CCCN2C2CCCC2)CC1 ZINC000578956717 356895955 /nfs/dbraw/zinc/89/59/55/356895955.db2.gz TZBFZGASKHXUNT-QGZVFWFLSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000360120167 283233077 /nfs/dbraw/zinc/23/30/77/283233077.db2.gz STDZHADFPMJJDP-HZPDHXFCSA-N 1 3 312.502 2.233 20 0 DEADHO O=C1NCC[C@@H]1CCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000579854694 357044051 /nfs/dbraw/zinc/04/40/51/357044051.db2.gz IRFNHUQLSWXAAW-IAGOWNOFSA-N 1 3 307.482 2.101 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)C3CC4(CCC4)C3)CC2)CC1 ZINC000579962547 357059295 /nfs/dbraw/zinc/05/92/95/357059295.db2.gz JGAPAVLTVFUZPD-UHFFFAOYSA-N 1 3 319.493 2.242 20 0 DEADHO CCCN(CC[NH+]1CCCCCC1)C(=O)C1CCN(C)CC1 ZINC000494835103 283253056 /nfs/dbraw/zinc/25/30/56/283253056.db2.gz GLHNKMYRYJIRNU-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CC[N@H+](CCNC(=O)N1CCCN(C(C)(C)C)CC1)C(C)C ZINC000588304430 357405226 /nfs/dbraw/zinc/40/52/26/357405226.db2.gz TVCQMBRNMWUVQW-UHFFFAOYSA-N 1 3 312.502 2.233 20 0 DEADHO CC[N@@H+](CCNC(=O)N1CCCN(C(C)(C)C)CC1)C(C)C ZINC000588304430 357405232 /nfs/dbraw/zinc/40/52/32/357405232.db2.gz TVCQMBRNMWUVQW-UHFFFAOYSA-N 1 3 312.502 2.233 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CC2CCN(c3ccncc3)CC2)CCN1C ZINC000179468570 199041587 /nfs/dbraw/zinc/04/15/87/199041587.db2.gz DDNKRVWLBQXOKR-RDJZCZTQSA-N 1 3 302.466 2.370 20 0 DEADHO C[NH2+]CCC1CCN(C(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662550871 540331481 /nfs/dbraw/zinc/33/14/81/540331481.db2.gz HHEKMBNATWWGGU-QGZVFWFLSA-N 1 3 301.434 2.069 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000349143360 283334358 /nfs/dbraw/zinc/33/43/58/283334358.db2.gz MAGSFNZNRAQMBM-YYIAUSFCSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000349143360 283334362 /nfs/dbraw/zinc/33/43/62/283334362.db2.gz MAGSFNZNRAQMBM-YYIAUSFCSA-N 1 3 309.498 2.343 20 0 DEADHO COC(=O)c1cccc(OCCN2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000593733272 358132188 /nfs/dbraw/zinc/13/21/88/358132188.db2.gz KUFOYDXVMRWBPQ-RHSMWYFYSA-N 1 3 320.433 2.301 20 0 DEADHO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000276651218 213023564 /nfs/dbraw/zinc/02/35/64/213023564.db2.gz PXCAFALTXZVVRB-BQFCYCMXSA-N 1 3 317.477 2.353 20 0 DEADHO CCN(CC[NH3+])C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000626985568 366390586 /nfs/dbraw/zinc/39/05/86/366390586.db2.gz XAEGSIPUOUXRCO-HIFRSBDPSA-N 1 3 324.494 2.121 20 0 DEADHO CN(CCN(C)c1ccccc1)CC[N@H+](C)C1CCN(C)CC1 ZINC000180942102 199231370 /nfs/dbraw/zinc/23/13/70/199231370.db2.gz ZNPZZKDWHINEPE-UHFFFAOYSA-N 1 3 318.509 2.081 20 0 DEADHO CN(CCN(C)c1ccccc1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000180942102 199231371 /nfs/dbraw/zinc/23/13/71/199231371.db2.gz ZNPZZKDWHINEPE-UHFFFAOYSA-N 1 3 318.509 2.081 20 0 DEADHO CCC[NH2+][C@@H](C)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000295755593 283394928 /nfs/dbraw/zinc/39/49/28/283394928.db2.gz PUQVWUWQTVVLCK-AWEZNQCLSA-N 1 3 309.429 2.104 20 0 DEADHO O=C(Nc1cccc2c1CCNC2)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000667754023 540520923 /nfs/dbraw/zinc/52/09/23/540520923.db2.gz SJUDNOZOHGBBBG-CABCVRRESA-N 1 3 314.433 2.081 20 0 DEADHO O=C(Nc1cccc2c1CCNC2)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000667754023 540520927 /nfs/dbraw/zinc/52/09/27/540520927.db2.gz SJUDNOZOHGBBBG-CABCVRRESA-N 1 3 314.433 2.081 20 0 DEADHO CC[NH2+]Cc1cccc(NC(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000667768779 540523390 /nfs/dbraw/zinc/52/33/90/540523390.db2.gz PJAHQPYBNVCLOF-QGZVFWFLSA-N 1 3 316.449 2.498 20 0 DEADHO C[C@@H](CNC(=O)Nc1cccc(CN)c1)C[NH+]1CCCCC1 ZINC000667731186 540515682 /nfs/dbraw/zinc/51/56/82/540515682.db2.gz NGSISGLGYNCZND-AWEZNQCLSA-N 1 3 304.438 2.389 20 0 DEADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC000667847683 540539554 /nfs/dbraw/zinc/53/95/54/540539554.db2.gz SUKUJPGFZLICKT-HKUYNNGSSA-N 1 3 318.461 2.327 20 0 DEADHO C[NH+](C)CCOc1cccc(CN[C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000667791054 540527210 /nfs/dbraw/zinc/52/72/10/540527210.db2.gz CHAIVWGNXFQEDC-FUHWJXTLSA-N 1 3 304.434 2.284 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000667811588 540532682 /nfs/dbraw/zinc/53/26/82/540532682.db2.gz PYCDRIKDKCIWJX-BSDSXHPESA-N 1 3 321.509 2.297 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000667811588 540532686 /nfs/dbraw/zinc/53/26/86/540532686.db2.gz PYCDRIKDKCIWJX-BSDSXHPESA-N 1 3 321.509 2.297 20 0 DEADHO COC[C@H](C)Oc1ccc(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000668077631 540579869 /nfs/dbraw/zinc/57/98/69/540579869.db2.gz TULDMAHBUJQNPD-BHYGNILZSA-N 1 3 304.434 2.094 20 0 DEADHO COC[C@H](C)Oc1ccc(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000668077631 540579872 /nfs/dbraw/zinc/57/98/72/540579872.db2.gz TULDMAHBUJQNPD-BHYGNILZSA-N 1 3 304.434 2.094 20 0 DEADHO OCC[NH+]1CCC(CNCc2nc3ccc(F)cc3s2)CC1 ZINC000428870993 237268669 /nfs/dbraw/zinc/26/86/69/237268669.db2.gz HHPJXBFRTAHQMR-UHFFFAOYSA-N 1 3 323.437 2.229 20 0 DEADHO C[N@@H+]1C[C@@H](CN[C@@H]2CO[C@@H](C3CC3)C2)[C@H](c2ccccc2)C1 ZINC000668276499 540633702 /nfs/dbraw/zinc/63/37/02/540633702.db2.gz OPQWFNOCJLMCSI-YDZRNGNQSA-N 1 3 300.446 2.489 20 0 DEADHO C[N@H+]1C[C@@H](CN[C@@H]2CO[C@@H](C3CC3)C2)[C@H](c2ccccc2)C1 ZINC000668276499 540633704 /nfs/dbraw/zinc/63/37/04/540633704.db2.gz OPQWFNOCJLMCSI-YDZRNGNQSA-N 1 3 300.446 2.489 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000237866208 202374595 /nfs/dbraw/zinc/37/45/95/202374595.db2.gz SPCQNIMZRICZAQ-IAGOWNOFSA-N 1 3 315.461 2.285 20 0 DEADHO C[C@@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1cccc(OCCN(C)C)c1 ZINC000189294465 200377430 /nfs/dbraw/zinc/37/74/30/200377430.db2.gz VOIHRIACVLUIPJ-INMHGKMJSA-N 1 3 306.450 2.439 20 0 DEADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CCC(=O)NCc1ccccc1Cl ZINC000442752984 238070169 /nfs/dbraw/zinc/07/01/69/238070169.db2.gz FSQNRINXSNPBBV-STQMWFEESA-N 1 3 309.841 2.015 20 0 DEADHO C[C@H]1C[C@@H](CN)C[N@H+]1CCC(=O)NCc1ccccc1Cl ZINC000442752984 238070171 /nfs/dbraw/zinc/07/01/71/238070171.db2.gz FSQNRINXSNPBBV-STQMWFEESA-N 1 3 309.841 2.015 20 0 DEADHO C[C@H]1C[C@@H](C[NH3+])CN1CCC(=O)NCc1ccccc1Cl ZINC000442752984 238070174 /nfs/dbraw/zinc/07/01/74/238070174.db2.gz FSQNRINXSNPBBV-STQMWFEESA-N 1 3 309.841 2.015 20 0 DEADHO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CCC[C@@H](CC[NH3+])C1 ZINC000443057081 238100097 /nfs/dbraw/zinc/10/00/97/238100097.db2.gz FJHITXFJLCJFIW-XHSDSOJGSA-N 1 3 315.461 2.414 20 0 DEADHO C[C@H](C[NH3+])CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669484021 540841965 /nfs/dbraw/zinc/84/19/65/540841965.db2.gz YUVHFVQVYRDIAU-NVXWUHKLSA-N 1 3 318.465 2.108 20 0 DEADHO C[NH+](C)CCOc1ccc(CN2CCC3(CCO3)CC2)cc1 ZINC000669718283 540883029 /nfs/dbraw/zinc/88/30/29/540883029.db2.gz BZCYNJWQMSAKKC-UHFFFAOYSA-N 1 3 304.434 2.382 20 0 DEADHO C(CN1CCCCC1)C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000670985890 540949549 /nfs/dbraw/zinc/94/95/49/540949549.db2.gz LZFYKLPLYBIXMQ-GOSISDBHSA-N 1 3 309.498 2.049 20 0 DEADHO C(CN1CCCCC1)C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000670985890 540949551 /nfs/dbraw/zinc/94/95/51/540949551.db2.gz LZFYKLPLYBIXMQ-GOSISDBHSA-N 1 3 309.498 2.049 20 0 DEADHO C(CN1CCC[C@@H](N2CCOCC2)CC1)C[NH+]1CCCCC1 ZINC000670985890 540949554 /nfs/dbraw/zinc/94/95/54/540949554.db2.gz LZFYKLPLYBIXMQ-GOSISDBHSA-N 1 3 309.498 2.049 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)C1CC1 ZINC000608653401 361245815 /nfs/dbraw/zinc/24/58/15/361245815.db2.gz YUNWEQKVFAIRQX-WBVHZDCISA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)C1CC1 ZINC000608653401 361245816 /nfs/dbraw/zinc/24/58/16/361245816.db2.gz YUNWEQKVFAIRQX-WBVHZDCISA-N 1 3 324.513 2.090 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000447965092 239198422 /nfs/dbraw/zinc/19/84/22/239198422.db2.gz OBMLASNVGHFMTQ-XHSDSOJGSA-N 1 3 324.513 2.279 20 0 DEADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000195131663 201344288 /nfs/dbraw/zinc/34/42/88/201344288.db2.gz FOJQVPVHXZMSIT-UONOGXRCSA-N 1 3 307.463 2.001 20 0 DEADHO CCCN1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000619896206 363892647 /nfs/dbraw/zinc/89/26/47/363892647.db2.gz QITLWWCRODZBJJ-SFHVURJKSA-N 1 3 315.461 2.497 20 0 DEADHO CC[C@H](C(=O)NCC1CC[NH+](CC2CC2)CC1)N(CC)CC ZINC000620931495 364205928 /nfs/dbraw/zinc/20/59/28/364205928.db2.gz FJZLMIAFRPRHPX-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO C[N@@H+]1CCCC[C@H]1CCN1CCCN(C[C@H]2CCCO2)CC1 ZINC000675497046 541347096 /nfs/dbraw/zinc/34/70/96/541347096.db2.gz UFBDXGFJDAMJOQ-ZWKOTPCHSA-N 1 3 309.498 2.048 20 0 DEADHO C[N@H+]1CCCC[C@H]1CCN1CCCN(C[C@H]2CCCO2)CC1 ZINC000675497046 541347102 /nfs/dbraw/zinc/34/71/02/541347102.db2.gz UFBDXGFJDAMJOQ-ZWKOTPCHSA-N 1 3 309.498 2.048 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)N(CC)CC ZINC000621105830 364257370 /nfs/dbraw/zinc/25/73/70/364257370.db2.gz YVWWOCUIEZJZIL-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)N(CC)CC ZINC000621105830 364257375 /nfs/dbraw/zinc/25/73/75/364257375.db2.gz YVWWOCUIEZJZIL-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H]1CC[N@H+](Cc2ccc(OCCN(C)C)cc2)C[C@@H]1CO ZINC000621737611 364532618 /nfs/dbraw/zinc/53/26/18/364532618.db2.gz TWXCHZQWKUBGST-DOTOQJQBSA-N 1 3 306.450 2.077 20 0 DEADHO C[C@H]1CC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C[C@@H]1CO ZINC000621737611 364532623 /nfs/dbraw/zinc/53/26/23/364532623.db2.gz TWXCHZQWKUBGST-DOTOQJQBSA-N 1 3 306.450 2.077 20 0 DEADHO C[NH2+]CC1CCN(C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000623057457 364871138 /nfs/dbraw/zinc/87/11/38/364871138.db2.gz TYTQQCOAKQTZIR-UHFFFAOYSA-N 1 3 304.438 2.212 20 0 DEADHO CN(C)Cc1cccc(NC(=O)NC[C@]2(C)CCC[NH2+]C2)c1 ZINC000623062023 364872432 /nfs/dbraw/zinc/87/24/32/364872432.db2.gz JHHMXJTZQAOXPY-QGZVFWFLSA-N 1 3 304.438 2.259 20 0 DEADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]C[C@H](O)C(F)F)CC1 ZINC000449172891 240156664 /nfs/dbraw/zinc/15/66/64/240156664.db2.gz NAAFYBBZFRTKFW-BBRMVZONSA-N 1 3 312.404 2.298 20 0 DEADHO C[C@@H](NC(=O)NC(C)(C)CC[NH3+])[C@@H](c1ccccc1)N(C)C ZINC000422623446 296074905 /nfs/dbraw/zinc/07/49/05/296074905.db2.gz VQTHDXSGOQXNKS-HIFRSBDPSA-N 1 3 306.454 2.104 20 0 DEADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H]1CCCN1CC(F)F ZINC000629520265 367231428 /nfs/dbraw/zinc/23/14/28/367231428.db2.gz VJZWOHCHSZBEOF-CWRNSKLLSA-N 1 3 311.420 2.264 20 0 DEADHO CCOc1ccc(C[C@H](C)CNC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000629580344 367260092 /nfs/dbraw/zinc/26/00/92/367260092.db2.gz RAPVPXJOLBEPLX-WMZOPIPTSA-N 1 3 320.477 2.310 20 0 DEADHO COCc1ccc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)o1 ZINC000629648092 367285321 /nfs/dbraw/zinc/28/53/21/367285321.db2.gz HAHMIAVMQMJUMN-PBHICJAKSA-N 1 3 308.422 2.144 20 0 DEADHO Cc1cnccc1CNCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000629647860 367285655 /nfs/dbraw/zinc/28/56/55/367285655.db2.gz CHJOSXXVXKIBKI-UHFFFAOYSA-N 1 3 324.472 2.473 20 0 DEADHO C[NH+](C)CCOc1cccc(-c2nc3c(s2)CNCC3)c1 ZINC000629699948 367307214 /nfs/dbraw/zinc/30/72/14/367307214.db2.gz DZUWGMBZSLONIK-UHFFFAOYSA-N 1 3 303.431 2.396 20 0 DEADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000629980288 367415812 /nfs/dbraw/zinc/41/58/12/367415812.db2.gz XHEHKDCOOCCLNR-CABCVRRESA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000629980288 367415814 /nfs/dbraw/zinc/41/58/14/367415814.db2.gz XHEHKDCOOCCLNR-CABCVRRESA-N 1 3 307.482 2.240 20 0 DEADHO CN1CCN(CC[NH2+][C@H]2CCCc3ncccc32)CC1(C)C ZINC000631625846 368316462 /nfs/dbraw/zinc/31/64/62/368316462.db2.gz QTIUBFVHWHCKFW-KRWDZBQOSA-N 1 3 302.466 2.075 20 0 DEADHO CN1CCC[C@H]2C[N@H+](Cc3ccccc3-n3cncn3)CC[C@@H]21 ZINC000678340737 541714745 /nfs/dbraw/zinc/71/47/45/541714745.db2.gz VOJOQZNXISXMPS-RDJZCZTQSA-N 1 3 311.433 2.183 20 0 DEADHO CN1CCC[C@H]2C[N@@H+](Cc3ccccc3-n3cncn3)CC[C@@H]21 ZINC000678340737 541714749 /nfs/dbraw/zinc/71/47/49/541714749.db2.gz VOJOQZNXISXMPS-RDJZCZTQSA-N 1 3 311.433 2.183 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N(CCN(C)C)Cc2cccc(F)c2)CC[NH2+]1 ZINC000262027366 203177204 /nfs/dbraw/zinc/17/72/04/203177204.db2.gz BCMBARRODFSJGV-HOCLYGCPSA-N 1 3 321.440 2.104 20 0 DEADHO CC(C)C[C@H](CNC(=O)[C@H](C)[C@H](N)c1ccccc1)[NH+](C)C ZINC000262323893 203263227 /nfs/dbraw/zinc/26/32/27/203263227.db2.gz RLQMJCNALVTMAS-OIISXLGYSA-N 1 3 305.466 2.415 20 0 DEADHO CCO[C@@H]1COC[C@H]1N[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000453349220 245086630 /nfs/dbraw/zinc/08/66/30/245086630.db2.gz JINDCMISBBYSBV-ZTFGCOKTSA-N 1 3 322.449 2.082 20 0 DEADHO C[NH+](C)C/C=C/C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000264648255 204053221 /nfs/dbraw/zinc/05/32/21/204053221.db2.gz RUEDKHKTDIRBHH-YRYLYKBFSA-N 1 3 301.434 2.058 20 0 DEADHO Oc1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000679394299 541849763 /nfs/dbraw/zinc/84/97/63/541849763.db2.gz LEZMRJJPKJJISR-QZTJIDSGSA-N 1 3 304.434 2.250 20 0 DEADHO CC[N@H+](C)CCNC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000352168475 284336550 /nfs/dbraw/zinc/33/65/50/284336550.db2.gz VMXJRHWUHWIHQK-WBVHZDCISA-N 1 3 320.481 2.237 20 0 DEADHO CC[N@@H+](C)CCNC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000352168475 284336552 /nfs/dbraw/zinc/33/65/52/284336552.db2.gz VMXJRHWUHWIHQK-WBVHZDCISA-N 1 3 320.481 2.237 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCCCC[NH+]1CCCC1 ZINC000454679076 246061766 /nfs/dbraw/zinc/06/17/66/246061766.db2.gz URZSASHATDWNBQ-WBVHZDCISA-N 1 3 322.497 2.034 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NC(C)(C)CCC[NH+](C)C ZINC000458364451 248277911 /nfs/dbraw/zinc/27/79/11/248277911.db2.gz ASLPETIKJMYBOZ-HNNXBMFYSA-N 1 3 312.502 2.280 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000458368063 248278505 /nfs/dbraw/zinc/27/85/05/248278505.db2.gz DMAIFKFTJFLMIW-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO CN(C)C[C@@H](NC(=O)/C=C/C[NH+](C)C)c1ccc(Cl)cc1 ZINC000492907420 249170086 /nfs/dbraw/zinc/17/00/86/249170086.db2.gz DENKXKDDPGYQTJ-LLYBFZRZSA-N 1 3 309.841 2.177 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)CC1 ZINC000681673751 542187828 /nfs/dbraw/zinc/18/78/28/542187828.db2.gz UPHSQJJLNBKHGF-INIZCTEOSA-N 1 3 321.509 2.441 20 0 DEADHO CN(Cc1ccc(OCC[NH+]2CCCC2)cc1)CC1(CO)CC1 ZINC000682168679 542273736 /nfs/dbraw/zinc/27/37/36/542273736.db2.gz GLFKNERKWTVBSX-UHFFFAOYSA-N 1 3 318.461 2.366 20 0 DEADHO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000269126745 207259875 /nfs/dbraw/zinc/25/98/75/207259875.db2.gz FKXJPWCNSYUSDJ-IAGOWNOFSA-N 1 3 302.418 2.389 20 0 DEADHO COC(=O)c1ccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000269126745 207259878 /nfs/dbraw/zinc/25/98/78/207259878.db2.gz FKXJPWCNSYUSDJ-IAGOWNOFSA-N 1 3 302.418 2.389 20 0 DEADHO O=C(NC[C@H]1CCC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000269214873 207333335 /nfs/dbraw/zinc/33/33/35/207333335.db2.gz QJGCBYYNLQZFHR-KRWDZBQOSA-N 1 3 315.461 2.014 20 0 DEADHO CC(C)[C@@H](N)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000269234185 207358702 /nfs/dbraw/zinc/35/87/02/207358702.db2.gz FKFXCIVUVRQJAU-OAHLLOKOSA-N 1 3 309.479 2.060 20 0 DEADHO C[C@H]1C[C@@H](NCc2ccncc2OCCC[NH+](C)C)CCO1 ZINC000288720326 220370743 /nfs/dbraw/zinc/37/07/43/220370743.db2.gz ZVAWFOGNUCOBFW-HOCLYGCPSA-N 1 3 307.438 2.069 20 0 DEADHO C[C@@H](NC(=O)N1CC[C@H]([NH3+])[C@H](C)C1)[C@@H](c1ccccc1)N(C)C ZINC000418179854 533137215 /nfs/dbraw/zinc/13/72/15/533137215.db2.gz JXZULVDBLYLKJS-JHNDHUHGSA-N 1 3 318.465 2.057 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000155609865 197071647 /nfs/dbraw/zinc/07/16/47/197071647.db2.gz NMJJSWYQOSLEFK-UHFFFAOYSA-N 1 3 301.434 2.105 20 0 DEADHO C[C@H](NC(=O)NC[C@@H]1CCCCN1C1CC1)C1CC[NH+](C)CC1 ZINC000683386493 542440356 /nfs/dbraw/zinc/44/03/56/542440356.db2.gz OADJBWOLESWRJF-YOEHRIQHSA-N 1 3 322.497 2.033 20 0 DEADHO Cc1ccc(C[C@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000542780546 285249149 /nfs/dbraw/zinc/24/91/49/285249149.db2.gz UWXNFKZOFRCKJD-KRWDZBQOSA-N 1 3 319.493 2.125 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC1CC(F)(F)C1)N(C)C ZINC001422520210 1172671724 /nfs/dbraw/zinc/67/17/24/1172671724.db2.gz RJNXEJYMHZFAAR-JSGCOSHPSA-N 1 3 319.440 2.054 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CC1CC(F)(F)C1)N(C)C ZINC001422520210 1172671728 /nfs/dbraw/zinc/67/17/28/1172671728.db2.gz RJNXEJYMHZFAAR-JSGCOSHPSA-N 1 3 319.440 2.054 20 0 DEADHO C[C@H](C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)[C@H](N)c1ccccc1 ZINC000294974596 224351638 /nfs/dbraw/zinc/35/16/38/224351638.db2.gz JIMFNXRXOKQTLZ-WBAXXEDZSA-N 1 3 315.461 2.171 20 0 DEADHO COc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000422717318 533499731 /nfs/dbraw/zinc/49/97/31/533499731.db2.gz VKIVPENMHANUPC-HYVNUMGLSA-N 1 3 322.424 2.124 20 0 DEADHO CCc1ccc(CN(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000685457681 542726905 /nfs/dbraw/zinc/72/69/05/542726905.db2.gz JLIFHOYWUCNIAC-INIZCTEOSA-N 1 3 305.466 2.442 20 0 DEADHO CN(CCCN(C)Cc1cnc(C(C)(C)C)nc1)CC[NH+](C)C ZINC000685475818 542730634 /nfs/dbraw/zinc/73/06/34/542730634.db2.gz JBLHMLNWNUEOJM-UHFFFAOYSA-N 1 3 321.513 2.089 20 0 DEADHO [NH3+][C@@H](CNC(=O)NCCN1CCC2(CCCCC2)CC1)C1CC1 ZINC000562812023 292012386 /nfs/dbraw/zinc/01/23/86/292012386.db2.gz XGOTWJRUTXQOAH-INIZCTEOSA-N 1 3 322.497 2.069 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000355413200 133025393 /nfs/dbraw/zinc/02/53/93/133025393.db2.gz PULNCPXEINKIQH-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO O=C(NCCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccs1 ZINC000358138978 133123732 /nfs/dbraw/zinc/12/37/32/133123732.db2.gz JXEKPODGODPLGS-KBPBESRZSA-N 1 3 307.463 2.084 20 0 DEADHO O=C(NCCCN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccs1 ZINC000358138978 133123733 /nfs/dbraw/zinc/12/37/33/133123733.db2.gz JXEKPODGODPLGS-KBPBESRZSA-N 1 3 307.463 2.084 20 0 DEADHO C[C@H]1CCCN(CCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000360005940 133156809 /nfs/dbraw/zinc/15/68/09/133156809.db2.gz IAFYYRYSIKJJLA-DLBZAZTESA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H]1CCCN(CCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000360005940 133156810 /nfs/dbraw/zinc/15/68/10/133156810.db2.gz IAFYYRYSIKJJLA-DLBZAZTESA-N 1 3 321.509 2.489 20 0 DEADHO CCC[C@@H]1C[C@H]1C(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000360156851 133166131 /nfs/dbraw/zinc/16/61/31/133166131.db2.gz RILZJHYOFCENGM-BRWVUGGUSA-N 1 3 309.498 2.297 20 0 DEADHO CCC[C@@H]1C[C@H]1C(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000360156851 133166132 /nfs/dbraw/zinc/16/61/32/133166132.db2.gz RILZJHYOFCENGM-BRWVUGGUSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CCOCCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000362703022 133246730 /nfs/dbraw/zinc/24/67/30/133246730.db2.gz OTUURAPHZOIZSU-ZWKOTPCHSA-N 1 3 311.514 2.007 20 0 DEADHO C[NH+](C)CCCOc1cccc(NC(=O)[C@@H]2CCCCCN2)c1 ZINC000376334746 133291053 /nfs/dbraw/zinc/29/10/53/133291053.db2.gz QRRXBSCQUNGYFX-KRWDZBQOSA-N 1 3 319.449 2.488 20 0 DEADHO CC1(C)CNCC[C@H]1[NH2+]CCCn1c2ccccc2[nH]c1=O ZINC000563673553 292069044 /nfs/dbraw/zinc/06/90/44/292069044.db2.gz RVVAEFORPYRYDW-OAHLLOKOSA-N 1 3 302.422 2.110 20 0 DEADHO CC1(C)C[NH2+]CC[C@H]1NCCCn1c2ccccc2[nH]c1=O ZINC000563673553 292069045 /nfs/dbraw/zinc/06/90/45/292069045.db2.gz RVVAEFORPYRYDW-OAHLLOKOSA-N 1 3 302.422 2.110 20 0 DEADHO Cc1ccc(C(=O)C2CCN(CCOCC[NH3+])CC2)c(C)c1 ZINC000564728756 292107518 /nfs/dbraw/zinc/10/75/18/292107518.db2.gz GWKGKKXVKKGLCL-UHFFFAOYSA-N 1 3 304.434 2.173 20 0 DEADHO C[NH+](C)[C@H](CNC(=O)C(C)(C)[C@@H](N)c1ccccc1)C1CC1 ZINC000564936324 292122251 /nfs/dbraw/zinc/12/22/51/292122251.db2.gz JETGDGKDIZKIMZ-CVEARBPZSA-N 1 3 303.450 2.169 20 0 DEADHO COC(=O)CCN(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000565048248 292130028 /nfs/dbraw/zinc/13/00/28/292130028.db2.gz JQSODCXNQDVYEZ-AWEZNQCLSA-N 1 3 310.463 2.373 20 0 DEADHO COC(=O)CCN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000565048248 292130029 /nfs/dbraw/zinc/13/00/29/292130029.db2.gz JQSODCXNQDVYEZ-AWEZNQCLSA-N 1 3 310.463 2.373 20 0 DEADHO CC(C)N1CCN(CCC[NH2+][C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000191612392 145061659 /nfs/dbraw/zinc/06/16/59/145061659.db2.gz PSNMOUCSPRKXNJ-MRXNPFEDSA-N 1 3 311.514 2.338 20 0 DEADHO O=C(C[C@H]1CCC[NH2+]1)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000246263167 145096551 /nfs/dbraw/zinc/09/65/51/145096551.db2.gz LFSGMBOURBHMBT-QZTJIDSGSA-N 1 3 315.461 2.299 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000246289109 145096929 /nfs/dbraw/zinc/09/69/29/145096929.db2.gz NDRZSDACZXFTQP-HZMVEIRTSA-N 1 3 307.482 2.097 20 0 DEADHO Cn1c2ccc(F)cc2nc1CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246368179 145100254 /nfs/dbraw/zinc/10/02/54/145100254.db2.gz JAEHFGNLBOHRSK-CABCVRRESA-N 1 3 316.424 2.471 20 0 DEADHO Cn1c2ccc(F)cc2nc1CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246368179 145100256 /nfs/dbraw/zinc/10/02/56/145100256.db2.gz JAEHFGNLBOHRSK-CABCVRRESA-N 1 3 316.424 2.471 20 0 DEADHO C[C@@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)N(C)C1CC1 ZINC000246376277 145100939 /nfs/dbraw/zinc/10/09/39/145100939.db2.gz HCELSGUSAYJJBC-HOTGVXAUSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H](CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)N(C)C1CC1 ZINC000246376277 145100941 /nfs/dbraw/zinc/10/09/41/145100941.db2.gz HCELSGUSAYJJBC-HOTGVXAUSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC(=O)N(c2ccccc2)C1 ZINC000246892636 145118407 /nfs/dbraw/zinc/11/84/07/145118407.db2.gz DUGUGMRMTDCXIG-AIANPOQGSA-N 1 3 301.434 2.110 20 0 DEADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccnc1 ZINC000248465005 145156189 /nfs/dbraw/zinc/15/61/89/145156189.db2.gz ZUYCWYSIYBXLOQ-HNAYVOBHSA-N 1 3 311.429 2.499 20 0 DEADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccnc1 ZINC000248465005 145156190 /nfs/dbraw/zinc/15/61/90/145156190.db2.gz ZUYCWYSIYBXLOQ-HNAYVOBHSA-N 1 3 311.429 2.499 20 0 DEADHO COC(=O)c1ccccc1CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000248565289 145159601 /nfs/dbraw/zinc/15/96/01/145159601.db2.gz OOUIZPQAVLLGPI-SJLPKXTDSA-N 1 3 316.445 2.432 20 0 DEADHO COC(=O)c1ccccc1CC[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000248565289 145159603 /nfs/dbraw/zinc/15/96/03/145159603.db2.gz OOUIZPQAVLLGPI-SJLPKXTDSA-N 1 3 316.445 2.432 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000252538020 145199239 /nfs/dbraw/zinc/19/92/39/145199239.db2.gz BXOAJRQWXIGADI-ZACQAIPSSA-N 1 3 322.497 2.129 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000252538020 145199240 /nfs/dbraw/zinc/19/92/40/145199240.db2.gz BXOAJRQWXIGADI-ZACQAIPSSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H](NC(=O)[C@@H]1CCCCN1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261539443 145206410 /nfs/dbraw/zinc/20/64/10/145206410.db2.gz CLIIZWPYSMFRFX-NXHRZFHOSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H](NC(=O)[C@@H]1CCCCN1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261539443 145206412 /nfs/dbraw/zinc/20/64/12/145206412.db2.gz CLIIZWPYSMFRFX-NXHRZFHOSA-N 1 3 315.461 2.155 20 0 DEADHO COc1cc2c(cc1OC)CN(CCC1CC[NH2+]CC1)CC2 ZINC000261643047 145213311 /nfs/dbraw/zinc/21/33/11/145213311.db2.gz IVAVJOCYBCFRMT-UHFFFAOYSA-N 1 3 304.434 2.452 20 0 DEADHO O=C(NC1CCCCC1)C1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261924061 145242906 /nfs/dbraw/zinc/24/29/06/145242906.db2.gz KURRGOYDZNORJV-OAHLLOKOSA-N 1 3 307.482 2.147 20 0 DEADHO COC(=O)c1cccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000261996549 145250827 /nfs/dbraw/zinc/25/08/27/145250827.db2.gz UOKMRGCNODHCOT-KRWDZBQOSA-N 1 3 302.418 2.437 20 0 DEADHO C[C@@H]1CN(CCC2CCN(C[C@@]3(C)CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000262017691 145253670 /nfs/dbraw/zinc/25/36/70/145253670.db2.gz MXCPOBVSBYILFW-SCTDSRPQSA-N 1 3 323.525 2.197 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](C)[C@H](N)c2ccccc2)C1 ZINC000262107358 145262168 /nfs/dbraw/zinc/26/21/68/145262168.db2.gz JLFWYUIZBNEMED-OIISXLGYSA-N 1 3 303.450 2.265 20 0 DEADHO Cc1cc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc2cccnc12 ZINC000262116266 145262810 /nfs/dbraw/zinc/26/28/10/145262810.db2.gz LIYSEKKLHWGINP-GOSISDBHSA-N 1 3 310.445 2.023 20 0 DEADHO C[C@H](C(=O)Nc1cccc(CN2CCCCC2)c1)C1C[NH2+]C1 ZINC000262309273 145275928 /nfs/dbraw/zinc/27/59/28/145275928.db2.gz CSSDOSWLSDVFTG-AWEZNQCLSA-N 1 3 301.434 2.467 20 0 DEADHO CC[NH2+][C@H](C)CNC(=O)c1oc2ccccc2c1CN(C)C ZINC000262336654 145276940 /nfs/dbraw/zinc/27/69/40/145276940.db2.gz GHJLAAHTBGDWFT-GFCCVEGCSA-N 1 3 303.406 2.222 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)C[NH2+]CC2CC2)CCN1Cc1ccccc1 ZINC000262642993 145297880 /nfs/dbraw/zinc/29/78/80/145297880.db2.gz LSHZPHWYUQOAHS-CRAIPNDOSA-N 1 3 315.461 2.155 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@H]([C@@H](C)O)C2)CC1 ZINC000305833127 145347156 /nfs/dbraw/zinc/34/71/56/145347156.db2.gz FCHQINWSXLVCJQ-SJORKVTESA-N 1 3 317.477 2.031 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@H]([C@@H](C)O)C2)CC1 ZINC000305833127 145347157 /nfs/dbraw/zinc/34/71/57/145347157.db2.gz FCHQINWSXLVCJQ-SJORKVTESA-N 1 3 317.477 2.031 20 0 DEADHO Cc1ccc(OCCCN2CC[C@H](N3CC[NH2+]CC3)C2)cc1C ZINC000323694008 145380944 /nfs/dbraw/zinc/38/09/44/145380944.db2.gz DODPTLAUAMMXIW-SFHVURJKSA-N 1 3 317.477 2.052 20 0 DEADHO CC[C@]1(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)CCC[NH2+]1 ZINC000134367803 288427184 /nfs/dbraw/zinc/42/71/84/288427184.db2.gz NNUBWPOBGRTKDG-SJLPKXTDSA-N 1 3 303.450 2.458 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000346276262 146053021 /nfs/dbraw/zinc/05/30/21/146053021.db2.gz HLVHTPTWSXGVQM-UONOGXRCSA-N 1 3 309.479 2.156 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]CCCN2CCCC2)[C@H](C)C1 ZINC000346574337 146104500 /nfs/dbraw/zinc/10/45/00/146104500.db2.gz SXMNZOAOYDMTMU-MSOLQXFVSA-N 1 3 311.514 2.199 20 0 DEADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(Oc4cnccn4)cc3)C[C@@H]12 ZINC000346833852 146150571 /nfs/dbraw/zinc/15/05/71/146150571.db2.gz MRFNORCYKHFQBX-USXIJHARSA-N 1 3 310.401 2.438 20 0 DEADHO C[C@H](N[C@H](CO)[C@H]1CCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348364811 146261131 /nfs/dbraw/zinc/26/11/31/146261131.db2.gz CSZFUHZZBFIJSX-JCHJZTRSSA-N 1 3 318.461 2.027 20 0 DEADHO C[C@H](N[C@H](CO)[C@H]1CCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348364811 146261135 /nfs/dbraw/zinc/26/11/35/146261135.db2.gz CSZFUHZZBFIJSX-JCHJZTRSSA-N 1 3 318.461 2.027 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000349117408 146351939 /nfs/dbraw/zinc/35/19/39/146351939.db2.gz KFGULWHYDYCAMH-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO Cn1cc(CNCCOCC[NH+](C)C)c(C2CCCCC2)n1 ZINC000349216760 146359641 /nfs/dbraw/zinc/35/96/41/146359641.db2.gz LDWNHXXTSRUISG-UHFFFAOYSA-N 1 3 308.470 2.136 20 0 DEADHO CCCN(CCC[NH+](C)C)Cc1ccc(-n2cncn2)cc1 ZINC000349423479 146377628 /nfs/dbraw/zinc/37/76/28/146377628.db2.gz XRBPPGRZSXBJMU-UHFFFAOYSA-N 1 3 301.438 2.431 20 0 DEADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000349665740 146395327 /nfs/dbraw/zinc/39/53/27/146395327.db2.gz JHJPLXXEVRGCKC-HOTGVXAUSA-N 1 3 312.502 2.233 20 0 DEADHO C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358501530 147145647 /nfs/dbraw/zinc/14/56/47/147145647.db2.gz AFWQFOWYFXBSGX-OAHLLOKOSA-N 1 3 313.445 2.040 20 0 DEADHO NC[C@@H](C(=O)NCCC[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC000358861283 147220836 /nfs/dbraw/zinc/22/08/36/147220836.db2.gz WAJZJRLCYFOKSX-QGZVFWFLSA-N 1 3 321.440 2.250 20 0 DEADHO Clc1ccc(N2CCN(CCC3CC[NH2+]CC3)CC2)nc1 ZINC000359213898 147283633 /nfs/dbraw/zinc/28/36/33/147283633.db2.gz GYHWIARLMGUGEC-UHFFFAOYSA-N 1 3 308.857 2.247 20 0 DEADHO O=S1(=O)CCO[C@@H](C[NH2+]Cc2ccc(C3CCCC3)cc2)C1 ZINC000565630814 292174135 /nfs/dbraw/zinc/17/41/35/292174135.db2.gz GSIYELGIIJFCPM-KRWDZBQOSA-N 1 3 323.458 2.247 20 0 DEADHO O=C(CC[NH2+]Cc1ccc(OCCO)cc1)Nc1ccccc1 ZINC000565716718 292177263 /nfs/dbraw/zinc/17/72/63/292177263.db2.gz MYCLIOAWQFJHQN-UHFFFAOYSA-N 1 3 314.385 2.176 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)c1ccccc1 ZINC000375256066 148349001 /nfs/dbraw/zinc/34/90/01/148349001.db2.gz MFBKLJXGVQLILD-URLQWDBASA-N 1 3 315.461 2.232 20 0 DEADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCC(=O)Nc1ccccn1 ZINC000565827846 292184792 /nfs/dbraw/zinc/18/47/92/292184792.db2.gz KUBZBLDQDWADLY-GJZGRUSLSA-N 1 3 304.438 2.311 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NCCC1CC[NH+](CC)CC1 ZINC000074169388 401732441 /nfs/dbraw/zinc/73/24/41/401732441.db2.gz REWFESPASJWYQA-KRWDZBQOSA-N 1 3 324.513 2.282 20 0 DEADHO C[NH+](C)C[C@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000114400454 401798161 /nfs/dbraw/zinc/79/81/61/401798161.db2.gz HOHGBATWTMMQBI-QGZVFWFLSA-N 1 3 315.461 2.306 20 0 DEADHO C[C@@H](Cc1ccc(F)cc1)[NH2+]CCCN1CCCN(C)CC1 ZINC000128439330 401777450 /nfs/dbraw/zinc/77/74/50/401777450.db2.gz UFGNPHSZEJMCIP-INIZCTEOSA-N 1 3 307.457 2.374 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CN1C1CC1 ZINC000130382193 401829015 /nfs/dbraw/zinc/82/90/15/401829015.db2.gz GRZFILWRFYIXBQ-OAGGEKHMSA-N 1 3 322.497 2.127 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CN1C1CC1 ZINC000130382193 401829016 /nfs/dbraw/zinc/82/90/16/401829016.db2.gz GRZFILWRFYIXBQ-OAGGEKHMSA-N 1 3 322.497 2.127 20 0 DEADHO CN(C(=O)C[C@@H]1CC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000130488192 401834020 /nfs/dbraw/zinc/83/40/20/401834020.db2.gz SXIVRONAHMNLIC-ROUUACIJSA-N 1 3 315.461 2.109 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)C[C@@H]2CCCN(C)C2)C1 ZINC000115822243 401837672 /nfs/dbraw/zinc/83/76/72/401837672.db2.gz OZZGEWVSEWHPMD-IAGOWNOFSA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N(C)C[C@@H]2CCCN(C)C2)C1 ZINC000115822243 401837674 /nfs/dbraw/zinc/83/76/74/401837674.db2.gz OZZGEWVSEWHPMD-IAGOWNOFSA-N 1 3 324.513 2.090 20 0 DEADHO O=C(NCCN1CCCCC1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000080626326 401891015 /nfs/dbraw/zinc/89/10/15/401891015.db2.gz ZJYJBCHXYGEREN-KRWDZBQOSA-N 1 3 322.497 2.036 20 0 DEADHO O=C(NCCN1CCCCC1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000080626326 401891016 /nfs/dbraw/zinc/89/10/16/401891016.db2.gz ZJYJBCHXYGEREN-KRWDZBQOSA-N 1 3 322.497 2.036 20 0 DEADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)C2CCN(C)CC2)c1 ZINC000081377599 401895521 /nfs/dbraw/zinc/89/55/21/401895521.db2.gz UBGNYWLRQIHRQN-UHFFFAOYSA-N 1 3 317.477 2.485 20 0 DEADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C2CCN(C)CC2)c1 ZINC000081377599 401895523 /nfs/dbraw/zinc/89/55/23/401895523.db2.gz UBGNYWLRQIHRQN-UHFFFAOYSA-N 1 3 317.477 2.485 20 0 DEADHO C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)N1CCC(C)CC1 ZINC000085395404 401915630 /nfs/dbraw/zinc/91/56/30/401915630.db2.gz IRYHKUTUWZJTPK-GVDBMIGSSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)N1CCC(C)CC1 ZINC000085395404 401915631 /nfs/dbraw/zinc/91/56/31/401915631.db2.gz IRYHKUTUWZJTPK-GVDBMIGSSA-N 1 3 324.513 2.088 20 0 DEADHO C[NH+](C)Cc1cccc(CNC(=O)NCCN2CCCCC2)c1 ZINC000045195248 401955728 /nfs/dbraw/zinc/95/57/28/401955728.db2.gz JQNMYZGGBHSLPF-UHFFFAOYSA-N 1 3 318.465 2.033 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](OC)C2)CC1 ZINC000091772719 401997899 /nfs/dbraw/zinc/99/78/99/401997899.db2.gz PFVBRGXTWOYXKL-GOSISDBHSA-N 1 3 317.477 2.439 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](OC)C2)CC1 ZINC000091772719 401997902 /nfs/dbraw/zinc/99/79/02/401997902.db2.gz PFVBRGXTWOYXKL-GOSISDBHSA-N 1 3 317.477 2.439 20 0 DEADHO Cc1occc1C(=O)NC1CC[NH+](CC[C@@H]2CCCN2C)CC1 ZINC000089427161 401946157 /nfs/dbraw/zinc/94/61/57/401946157.db2.gz PPCVCDUCBFYGPD-INIZCTEOSA-N 1 3 319.449 2.267 20 0 DEADHO CN1CCC[C@H]1CC[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000089424788 401946200 /nfs/dbraw/zinc/94/62/00/401946200.db2.gz ANTUZEGMBAJUTH-KRWDZBQOSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@@H](C(=O)NCCC[NH+]1CCC(C)CC1)N1[C@H](C)CC[C@@H]1C ZINC000121989774 402058899 /nfs/dbraw/zinc/05/88/99/402058899.db2.gz JUWJQHKXYVOCCO-BBWFWOEESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)NC(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000095427071 402032582 /nfs/dbraw/zinc/03/25/82/402032582.db2.gz AAJSQOYVEBBZJI-MCPYQZEQSA-N 1 3 317.477 2.257 20 0 DEADHO CN(c1ccccc1CNC[C@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000123025943 402106525 /nfs/dbraw/zinc/10/65/25/402106525.db2.gz ZVXOTJJIXFCBLR-GOSISDBHSA-N 1 3 317.477 2.486 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccsc3)CC2)CC1 ZINC000122179744 402065468 /nfs/dbraw/zinc/06/54/68/402065468.db2.gz JKSRPZURSUELBG-UHFFFAOYSA-N 1 3 322.478 2.428 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CCCC[C@H]2CC(C)C)CC1 ZINC000123555852 402134112 /nfs/dbraw/zinc/13/41/12/402134112.db2.gz NXBRHVUEXRWKLS-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]1CC([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C[C@H](C)C1 ZINC000414203227 299727261 /nfs/dbraw/zinc/72/72/61/299727261.db2.gz UXXCFFAUZRHIHT-IAGOWNOFSA-N 1 3 323.525 2.197 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@@H](C)CCC[C@H]2C)CC1 ZINC000125161342 402216685 /nfs/dbraw/zinc/21/66/85/402216685.db2.gz SRSUHLIASYXBOK-JKSUJKDBSA-N 1 3 309.498 2.486 20 0 DEADHO CN(C)[C@@H](CNC(=O)C[N@H+](C)C1CCCC1)c1ccccc1 ZINC000184568354 402276858 /nfs/dbraw/zinc/27/68/58/402276858.db2.gz FCJCOAAOACYLBQ-KRWDZBQOSA-N 1 3 303.450 2.280 20 0 DEADHO CN(C)[C@@H](CNC(=O)C[N@@H+](C)C1CCCC1)c1ccccc1 ZINC000184568354 402276861 /nfs/dbraw/zinc/27/68/61/402276861.db2.gz FCJCOAAOACYLBQ-KRWDZBQOSA-N 1 3 303.450 2.280 20 0 DEADHO c1cc(N2CCC([NH2+]C[C@@H]3CSCCS3)CC2)ccn1 ZINC000229589374 402343931 /nfs/dbraw/zinc/34/39/31/402343931.db2.gz RVXMVQAJZHRMCW-OAHLLOKOSA-N 1 3 309.504 2.489 20 0 DEADHO CCCN1CCC([N@H+](C)C[C@H](O)COc2ccccc2F)CC1 ZINC000177051619 402364469 /nfs/dbraw/zinc/36/44/69/402364469.db2.gz XIBCRJULAHUNOC-INIZCTEOSA-N 1 3 324.440 2.372 20 0 DEADHO CCCN1CCC([N@@H+](C)C[C@H](O)COc2ccccc2F)CC1 ZINC000177051619 402364470 /nfs/dbraw/zinc/36/44/70/402364470.db2.gz XIBCRJULAHUNOC-INIZCTEOSA-N 1 3 324.440 2.372 20 0 DEADHO CC(C)(CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000236693361 402375409 /nfs/dbraw/zinc/37/54/09/402375409.db2.gz FQJJDNUQSHCCMD-DOTOQJQBSA-N 1 3 315.461 2.067 20 0 DEADHO CC(C)O[C@H]1C[C@H]([NH2+]C2CCN(CCN(C)C)CC2)C1(C)C ZINC000185195700 402332543 /nfs/dbraw/zinc/33/25/43/402332543.db2.gz VVGTZARMZPTAFP-IRXDYDNUSA-N 1 3 311.514 2.194 20 0 DEADHO C[C@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)N(C)C1CC1 ZINC000161704837 402396469 /nfs/dbraw/zinc/39/64/69/402396469.db2.gz ZOTBRIIUHYILPS-OAHLLOKOSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000186122243 402403433 /nfs/dbraw/zinc/40/34/33/402403433.db2.gz OCLVEQBJADJCAE-MRXNPFEDSA-N 1 3 312.502 2.233 20 0 DEADHO C[C@@H](CNC(=O)N(C)CCC[NH+](C)C)N(C)Cc1ccccc1 ZINC000186150286 402405513 /nfs/dbraw/zinc/40/55/13/402405513.db2.gz GNLGACDGCOKKCE-INIZCTEOSA-N 1 3 320.481 2.100 20 0 DEADHO NCC(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000237966960 402429228 /nfs/dbraw/zinc/42/92/28/402429228.db2.gz ZQPVRMWBFMCRKC-UHFFFAOYSA-N 1 3 311.429 2.154 20 0 DEADHO CC(C)N1CCC([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000162878822 402435416 /nfs/dbraw/zinc/43/54/16/402435416.db2.gz URAHQRNIEGXYBW-CALCHBBNSA-N 1 3 311.514 2.338 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000177865708 402441976 /nfs/dbraw/zinc/44/19/76/402441976.db2.gz KCAMRXGOUULBTP-SJORKVTESA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000177865708 402441978 /nfs/dbraw/zinc/44/19/78/402441978.db2.gz KCAMRXGOUULBTP-SJORKVTESA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)[C@]1(C)C[C@@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000185927721 402390319 /nfs/dbraw/zinc/39/03/19/402390319.db2.gz IFNHOMCQUUQEAA-MJGOQNOKSA-N 1 3 321.509 2.343 20 0 DEADHO CC[N@@H+]1CC[C@H](NCCNC(=O)c2ccccc2Cl)[C@H](C)C1 ZINC000178169598 402467483 /nfs/dbraw/zinc/46/74/83/402467483.db2.gz WVCAXKQEUGXWSS-CJNGLKHVSA-N 1 3 323.868 2.390 20 0 DEADHO CC[N@H+]1CC[C@H](NCCNC(=O)c2ccccc2Cl)[C@H](C)C1 ZINC000178169598 402467485 /nfs/dbraw/zinc/46/74/85/402467485.db2.gz WVCAXKQEUGXWSS-CJNGLKHVSA-N 1 3 323.868 2.390 20 0 DEADHO CC[C@H](CNC(=O)CC[NH2+]C(C)C)N1CCc2ccccc2C1 ZINC000164949808 402471480 /nfs/dbraw/zinc/47/14/80/402471480.db2.gz YQSDHUHVJQTZJO-GOSISDBHSA-N 1 3 317.477 2.328 20 0 DEADHO C(CCN1CCOC[C@H]1C1CC1)CC[N@@H+]1CCOC[C@H]1C1CC1 ZINC000245833255 402490683 /nfs/dbraw/zinc/49/06/83/402490683.db2.gz GRLYNFMHDHAIDG-OALUTQOASA-N 1 3 322.493 2.378 20 0 DEADHO C(CCN1CCOC[C@H]1C1CC1)CC[N@H+]1CCOC[C@H]1C1CC1 ZINC000245833255 402490686 /nfs/dbraw/zinc/49/06/86/402490686.db2.gz GRLYNFMHDHAIDG-OALUTQOASA-N 1 3 322.493 2.378 20 0 DEADHO Cc1ccc(NC(=O)CCNC2CC[NH+](C(C)C)CC2)nc1 ZINC000167268127 402490767 /nfs/dbraw/zinc/49/07/67/402490767.db2.gz XXPWWSCNANCUMD-UHFFFAOYSA-N 1 3 304.438 2.181 20 0 DEADHO CC(C)C[C@H](N)C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000168762082 402498564 /nfs/dbraw/zinc/49/85/64/402498564.db2.gz PBADLOGXGJHTIT-INIZCTEOSA-N 1 3 307.438 2.329 20 0 DEADHO C[C@H]1CCN(C(=O)[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000246163669 402514185 /nfs/dbraw/zinc/51/41/85/402514185.db2.gz ANYZSXLASNXKBN-WMZOPIPTSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000246745666 402543255 /nfs/dbraw/zinc/54/32/55/402543255.db2.gz ZKLANLBNMRQAMU-BPQIPLTHSA-N 1 3 315.461 2.250 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000247012335 402553474 /nfs/dbraw/zinc/55/34/74/402553474.db2.gz LJXRPXGAUMTSEB-BZUAXINKSA-N 1 3 310.486 2.033 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000178951860 402558387 /nfs/dbraw/zinc/55/83/87/402558387.db2.gz YHYUPQNLXANBEX-ZDUSSCGKSA-N 1 3 315.417 2.224 20 0 DEADHO CCN(CC)[C@H](CNC(=O)CC(C)(C)[NH3+])c1cccc(OC)c1 ZINC000178672748 402524721 /nfs/dbraw/zinc/52/47/21/402524721.db2.gz KHIYRRXOPKULJJ-MRXNPFEDSA-N 1 3 321.465 2.322 20 0 DEADHO C[C@@H](CNC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(C)C1CC1 ZINC000246392533 402528712 /nfs/dbraw/zinc/52/87/12/402528712.db2.gz ISNXEBGOFOTBOC-XHSDSOJGSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H](CNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N(C)C1CC1 ZINC000246392533 402528716 /nfs/dbraw/zinc/52/87/16/402528716.db2.gz ISNXEBGOFOTBOC-XHSDSOJGSA-N 1 3 324.513 2.136 20 0 DEADHO [NH3+]C1(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CCCC1 ZINC000178733722 402532120 /nfs/dbraw/zinc/53/21/20/402532120.db2.gz ANGSUHBOPBQSSC-AWEZNQCLSA-N 1 3 321.490 2.348 20 0 DEADHO C[C@@H]1CC[N@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)[C@H]1C ZINC000249362848 402626882 /nfs/dbraw/zinc/62/68/82/402626882.db2.gz TYEKTPHYXMWQDR-HLLBOEOZSA-N 1 3 303.450 2.136 20 0 DEADHO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)[C@H]1C ZINC000249362848 402626884 /nfs/dbraw/zinc/62/68/84/402626884.db2.gz TYEKTPHYXMWQDR-HLLBOEOZSA-N 1 3 303.450 2.136 20 0 DEADHO C[C@@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000192103188 402711215 /nfs/dbraw/zinc/71/12/15/402711215.db2.gz LIPFRDVJLLNOIU-MJBXVCDLSA-N 1 3 309.479 2.060 20 0 DEADHO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000192105555 402711527 /nfs/dbraw/zinc/71/15/27/402711527.db2.gz BIZVOETUDDIZDB-ZIAGYGMSSA-N 1 3 321.490 2.200 20 0 DEADHO C[C@@H](C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)[C@H](C)[NH3+] ZINC000192103206 402711571 /nfs/dbraw/zinc/71/15/71/402711571.db2.gz LIPFRDVJLLNOIU-RDBSUJKOSA-N 1 3 309.479 2.060 20 0 DEADHO C[C@@H]([NH3+])[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000192110059 402711987 /nfs/dbraw/zinc/71/19/87/402711987.db2.gz HQUAZIAIMHGEJL-MPTYRVRUSA-N 1 3 303.450 2.139 20 0 DEADHO C[C@H]([NH3+])[C@H](C)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000192110722 402712054 /nfs/dbraw/zinc/71/20/54/402712054.db2.gz JJWRLCVGJKNYMH-GJZGRUSLSA-N 1 3 303.450 2.093 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000173893949 402717661 /nfs/dbraw/zinc/71/76/61/402717661.db2.gz AALIIYHAKNHBMK-IRXDYDNUSA-N 1 3 324.513 2.282 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000173893949 402717662 /nfs/dbraw/zinc/71/76/62/402717662.db2.gz AALIIYHAKNHBMK-IRXDYDNUSA-N 1 3 324.513 2.282 20 0 DEADHO N[C@@H](CC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000261854702 402718580 /nfs/dbraw/zinc/71/85/80/402718580.db2.gz FAPGXTPIDOLQRW-SJORKVTESA-N 1 3 301.434 2.163 20 0 DEADHO CC[N@@H+]1CC[C@@H](NCCN2CCc3ccccc3C2=O)[C@H](C)C1 ZINC000191619569 402682054 /nfs/dbraw/zinc/68/20/54/402682054.db2.gz OGQKYJBEBJQVQB-CRAIPNDOSA-N 1 3 315.461 2.005 20 0 DEADHO CC[N@H+]1CC[C@@H](NCCN2CCc3ccccc3C2=O)[C@H](C)C1 ZINC000191619569 402682057 /nfs/dbraw/zinc/68/20/57/402682057.db2.gz OGQKYJBEBJQVQB-CRAIPNDOSA-N 1 3 315.461 2.005 20 0 DEADHO COc1cccc([C@H](CN[C@H]2CCCC[C@H]2C[NH3+])N(C)C)c1 ZINC000262390183 402725630 /nfs/dbraw/zinc/72/56/30/402725630.db2.gz ZRPJLXUDSYNLIY-SZMVWBNQSA-N 1 3 305.466 2.405 20 0 DEADHO COc1cccc([C@H](C[NH2+][C@H]2CCCC[C@H]2CN)N(C)C)c1 ZINC000262390183 402725632 /nfs/dbraw/zinc/72/56/32/402725632.db2.gz ZRPJLXUDSYNLIY-SZMVWBNQSA-N 1 3 305.466 2.405 20 0 DEADHO NC[C@H](NC(=O)CC[C@H]1CC[NH2+]C1)c1ccc2ccccc2c1 ZINC000262928189 402737086 /nfs/dbraw/zinc/73/70/86/402737086.db2.gz ZZJFVJMMYLWXBQ-KSSFIOAISA-N 1 3 311.429 2.346 20 0 DEADHO C[C@H](CS(C)(=O)=O)[NH2+]C1CCC(N2CCC(C)CC2)CC1 ZINC000183383078 402762003 /nfs/dbraw/zinc/76/20/03/402762003.db2.gz RYYFQWVNHYWHKU-QQFBHYJXSA-N 1 3 316.511 2.052 20 0 DEADHO C[C@H](CS(C)(=O)=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000183383078 402762006 /nfs/dbraw/zinc/76/20/06/402762006.db2.gz RYYFQWVNHYWHKU-QQFBHYJXSA-N 1 3 316.511 2.052 20 0 DEADHO CC[C@@H](C)[C@@H](C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000183530666 402773978 /nfs/dbraw/zinc/77/39/78/402773978.db2.gz HQZNBGSEQBBWNY-HUUCEWRRSA-N 1 3 309.498 2.343 20 0 DEADHO C[N@@H+](Cc1ccccc1)CC1CCN(CCn2cncn2)CC1 ZINC000264031188 402832212 /nfs/dbraw/zinc/83/22/12/402832212.db2.gz AFRDEWUZHJOKGP-UHFFFAOYSA-N 1 3 313.449 2.122 20 0 DEADHO C[N@H+](Cc1ccccc1)CC1CCN(CCn2cncn2)CC1 ZINC000264031188 402832214 /nfs/dbraw/zinc/83/22/14/402832214.db2.gz AFRDEWUZHJOKGP-UHFFFAOYSA-N 1 3 313.449 2.122 20 0 DEADHO CN(C)C(=O)CC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000271321473 402857425 /nfs/dbraw/zinc/85/74/25/402857425.db2.gz KBGQETNBSWTHAF-UHFFFAOYSA-N 1 3 318.465 2.098 20 0 DEADHO CN(C)C(=O)CC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000271321473 402857426 /nfs/dbraw/zinc/85/74/26/402857426.db2.gz KBGQETNBSWTHAF-UHFFFAOYSA-N 1 3 318.465 2.098 20 0 DEADHO C[C@H]([NH2+][C@@H]1CCCCNC1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272173001 402905846 /nfs/dbraw/zinc/90/58/46/402905846.db2.gz GQNSKQRLCXWRDO-CGTJXYLNSA-N 1 3 315.461 2.155 20 0 DEADHO CN(C)CCN(CCCc1ccccc1)C(=O)/C=C/C[NH+](C)C ZINC000265685570 402940164 /nfs/dbraw/zinc/94/01/64/402940164.db2.gz XARWPOXKRCNTKE-UKTHLTGXSA-N 1 3 317.477 2.127 20 0 DEADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H](C)CN1 ZINC000272611420 402958955 /nfs/dbraw/zinc/95/89/55/402958955.db2.gz WIKLAZRQULZJDL-JFIYKMOQSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H](C)CN1 ZINC000272611420 402958957 /nfs/dbraw/zinc/95/89/57/402958957.db2.gz WIKLAZRQULZJDL-JFIYKMOQSA-N 1 3 315.461 2.107 20 0 DEADHO CC(C)NC(=O)CC[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272374695 402929520 /nfs/dbraw/zinc/92/95/20/402929520.db2.gz BBHBAVRJYMXRBR-AEFFLSMTSA-N 1 3 317.477 2.401 20 0 DEADHO CC(C)NC(=O)CCN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272374695 402929523 /nfs/dbraw/zinc/92/95/23/402929523.db2.gz BBHBAVRJYMXRBR-AEFFLSMTSA-N 1 3 317.477 2.401 20 0 DEADHO CC(C)NC(=O)CCN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272374695 402929525 /nfs/dbraw/zinc/92/95/25/402929525.db2.gz BBHBAVRJYMXRBR-AEFFLSMTSA-N 1 3 317.477 2.401 20 0 DEADHO C[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)[C@@H]1CCOC1 ZINC000268894122 403120935 /nfs/dbraw/zinc/12/09/35/403120935.db2.gz PQZFRBRPGLJGLO-DOTOQJQBSA-N 1 3 306.450 2.184 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H](CN)c1ccccc1 ZINC000269276536 403127713 /nfs/dbraw/zinc/12/77/13/403127713.db2.gz XRIFLWIEEAKQEW-DLBZAZTESA-N 1 3 303.450 2.110 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H](CN)c1ccccc1 ZINC000269276536 403127714 /nfs/dbraw/zinc/12/77/14/403127714.db2.gz XRIFLWIEEAKQEW-DLBZAZTESA-N 1 3 303.450 2.110 20 0 DEADHO C[C@H](NC(=O)[C@H](C)N1CCC(CC[NH3+])CC1)c1ccc(F)cc1 ZINC000566743578 292265745 /nfs/dbraw/zinc/26/57/45/292265745.db2.gz VAVRKHWFHSAPRO-KBPBESRZSA-N 1 3 321.440 2.452 20 0 DEADHO COc1ccccc1C[C@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282404348 403150423 /nfs/dbraw/zinc/15/04/23/403150423.db2.gz RTZFCUANULCCHO-INIZCTEOSA-N 1 3 319.493 2.242 20 0 DEADHO COC(=O)c1ccc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)o1 ZINC000270483207 403194602 /nfs/dbraw/zinc/19/46/02/403194602.db2.gz OIOBOOLVUYPWIE-CQSZACIVSA-N 1 3 306.406 2.230 20 0 DEADHO Cc1ccnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000270519062 403197996 /nfs/dbraw/zinc/19/79/96/403197996.db2.gz ZOXXVGRUYBLGJA-UHFFFAOYSA-N 1 3 302.466 2.385 20 0 DEADHO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000284152475 403249858 /nfs/dbraw/zinc/24/98/58/403249858.db2.gz VUPOQWCVVRYPKL-KDOFPFPSSA-N 1 3 304.434 2.427 20 0 DEADHO c1ccc(C[N@H+]2CC[C@]3(CCN(CCC4OCCO4)C3)C2)cc1 ZINC000285704478 403361148 /nfs/dbraw/zinc/36/11/48/403361148.db2.gz WBVPOYRITHOFPW-IBGZPJMESA-N 1 3 316.445 2.347 20 0 DEADHO c1ccc(C[N@@H+]2CC[C@]3(CCN(CCC4OCCO4)C3)C2)cc1 ZINC000285704478 403361152 /nfs/dbraw/zinc/36/11/52/403361152.db2.gz WBVPOYRITHOFPW-IBGZPJMESA-N 1 3 316.445 2.347 20 0 DEADHO C[C@@H]1[C@H](NC(=O)N[C@@H](CN(C)C)c2ccccc2)CCC[N@@H+]1C ZINC000345401829 403319308 /nfs/dbraw/zinc/31/93/08/403319308.db2.gz BQKUNVJUXWPBKW-OIISXLGYSA-N 1 3 318.465 2.071 20 0 DEADHO C[C@@H]1[C@H](NC(=O)N[C@@H](CN(C)C)c2ccccc2)CCC[N@H+]1C ZINC000345401829 403319312 /nfs/dbraw/zinc/31/93/12/403319312.db2.gz BQKUNVJUXWPBKW-OIISXLGYSA-N 1 3 318.465 2.071 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NCCC[N@H+]2CCCC[C@@H]2C)CCCN1C ZINC000345416077 403325731 /nfs/dbraw/zinc/32/57/31/403325731.db2.gz SPYNVILHIWYCNG-XHSDSOJGSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)CCCN1C ZINC000345416077 403325738 /nfs/dbraw/zinc/32/57/38/403325738.db2.gz SPYNVILHIWYCNG-XHSDSOJGSA-N 1 3 310.486 2.033 20 0 DEADHO COc1ccc([C@@H]([NH2+]C[C@H](O)CN2CCCC2)C2CC2)cc1 ZINC000298213420 403332158 /nfs/dbraw/zinc/33/21/58/403332158.db2.gz MMMLMIKGPYYUCQ-WMZOPIPTSA-N 1 3 304.434 2.193 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)CC(C)(C)C3CC3)CC2)CC1 ZINC000339548146 403385430 /nfs/dbraw/zinc/38/54/30/403385430.db2.gz XTVDRORSHAQHAH-UHFFFAOYSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](CCNC(=O)N[C@@H]1CCN(C)[C@H](C)C1)[NH+]1CCCCC1 ZINC000345691800 403439435 /nfs/dbraw/zinc/43/94/35/403439435.db2.gz KJRVUVXLAQSTAE-BZUAXINKSA-N 1 3 310.486 2.033 20 0 DEADHO CC(C)[C@H]1C[N@H+](CCCN2CCN(C(C)C)CC2)CCCO1 ZINC000339826184 403462942 /nfs/dbraw/zinc/46/29/42/403462942.db2.gz LZVXPPYDXAPIBF-GOSISDBHSA-N 1 3 311.514 2.149 20 0 DEADHO CC(C)[C@H]1C[N@@H+](CCCN2CCN(C(C)C)CC2)CCCO1 ZINC000339826184 403462947 /nfs/dbraw/zinc/46/29/47/403462947.db2.gz LZVXPPYDXAPIBF-GOSISDBHSA-N 1 3 311.514 2.149 20 0 DEADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H]1CCCN(C)[C@@H]1C)CC2 ZINC000345759844 403471808 /nfs/dbraw/zinc/47/18/08/403471808.db2.gz UJGGXNIJAHOPED-NCOADZHNSA-N 1 3 322.497 2.126 20 0 DEADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H]1CCCN(C)[C@@H]1C)CC2 ZINC000345759844 403471810 /nfs/dbraw/zinc/47/18/10/403471810.db2.gz UJGGXNIJAHOPED-NCOADZHNSA-N 1 3 322.497 2.126 20 0 DEADHO C[C@@H]1CN(CC2CC[NH+](C[C@H](O)C(C)(C)C)CC2)C[C@H](C)O1 ZINC000340286692 403576599 /nfs/dbraw/zinc/57/65/99/403576599.db2.gz TZBKUBCUWNWGFB-UXLLHSPISA-N 1 3 312.498 2.215 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000566967814 292280183 /nfs/dbraw/zinc/28/01/83/292280183.db2.gz JXMZECFGPRMPSC-CQDKDKBSSA-N 1 3 314.376 2.172 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCc1ccc(OC(F)F)cc1 ZINC000566967814 292280185 /nfs/dbraw/zinc/28/01/85/292280185.db2.gz JXMZECFGPRMPSC-CQDKDKBSSA-N 1 3 314.376 2.172 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CCN1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000343515983 403619267 /nfs/dbraw/zinc/61/92/67/403619267.db2.gz LDNHWEXOYHYEAD-NUJGCVRESA-N 1 3 319.493 2.336 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CCN1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000343515983 403619270 /nfs/dbraw/zinc/61/92/70/403619270.db2.gz LDNHWEXOYHYEAD-NUJGCVRESA-N 1 3 319.493 2.336 20 0 DEADHO CCN1CC[C@H]([NH2+]C[C@@H](Cc2ccccc2)N(C)C)[C@@H](C)C1 ZINC000347231593 403630876 /nfs/dbraw/zinc/63/08/76/403630876.db2.gz NTZBSPBLHHVJRG-UHOSZYNNSA-N 1 3 303.494 2.479 20 0 DEADHO CC[N@@H+]1CC[C@H](NC[C@@H](Cc2ccccc2)N(C)C)[C@@H](C)C1 ZINC000347231593 403630883 /nfs/dbraw/zinc/63/08/83/403630883.db2.gz NTZBSPBLHHVJRG-UHOSZYNNSA-N 1 3 303.494 2.479 20 0 DEADHO CC[N@H+]1CC[C@H](NC[C@@H](Cc2ccccc2)N(C)C)[C@@H](C)C1 ZINC000347231593 403630889 /nfs/dbraw/zinc/63/08/89/403630889.db2.gz NTZBSPBLHHVJRG-UHOSZYNNSA-N 1 3 303.494 2.479 20 0 DEADHO C[C@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)[C@]1(C)CCCO1 ZINC000340518787 403634951 /nfs/dbraw/zinc/63/49/51/403634951.db2.gz WULKBFXKOICHMN-IPELMVKDSA-N 1 3 318.461 2.300 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NCC2([NH+](C)C)CCCCCC2)CCCN1C ZINC000343612210 403662289 /nfs/dbraw/zinc/66/22/89/403662289.db2.gz FKABQDBERWNUAK-CVEARBPZSA-N 1 3 324.513 2.423 20 0 DEADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2ccc3c[nH]nc3c2)CC1 ZINC000333124386 403671328 /nfs/dbraw/zinc/67/13/28/403671328.db2.gz ISEBHPOSGHBCKL-SJLPKXTDSA-N 1 3 314.433 2.281 20 0 DEADHO CC[N@H+](CCC1CCN(CCN2CCNC2=O)CC1)CC(C)C ZINC000343717215 403705854 /nfs/dbraw/zinc/70/58/54/403705854.db2.gz SDEKJUWRGDVJSH-UHFFFAOYSA-N 1 3 324.513 2.092 20 0 DEADHO CC[N@@H+](CCC1CCN(CCN2CCNC2=O)CC1)CC(C)C ZINC000343717215 403705856 /nfs/dbraw/zinc/70/58/56/403705856.db2.gz SDEKJUWRGDVJSH-UHFFFAOYSA-N 1 3 324.513 2.092 20 0 DEADHO Cc1cc(N2CCC([NH2+][C@H]3CCNCC[C@H]3C)CC2)nc(C)n1 ZINC000333296106 403719506 /nfs/dbraw/zinc/71/95/06/403719506.db2.gz PIBAZSQEKCUSTF-DYVFJYSZSA-N 1 3 317.481 2.040 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCCN(C(C)C)CC1 ZINC000347481690 403725085 /nfs/dbraw/zinc/72/50/85/403725085.db2.gz FKKJZTWVAJOQNI-KRWDZBQOSA-N 1 3 324.513 2.377 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCCN(C(C)C)CC1 ZINC000347481690 403725088 /nfs/dbraw/zinc/72/50/88/403725088.db2.gz FKKJZTWVAJOQNI-KRWDZBQOSA-N 1 3 324.513 2.377 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343813453 403742745 /nfs/dbraw/zinc/74/27/45/403742745.db2.gz CHCVYSYTMDWPGP-HZPDHXFCSA-N 1 3 312.502 2.280 20 0 DEADHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000333404072 403744749 /nfs/dbraw/zinc/74/47/49/403744749.db2.gz ZAFJIZIOMPHYAU-DYVFJYSZSA-N 1 3 316.449 2.183 20 0 DEADHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000333404072 403744752 /nfs/dbraw/zinc/74/47/52/403744752.db2.gz ZAFJIZIOMPHYAU-DYVFJYSZSA-N 1 3 316.449 2.183 20 0 DEADHO CCCN1CCC([N@H+](C)C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000303979620 403758003 /nfs/dbraw/zinc/75/80/03/403758003.db2.gz DTZZVNKZEVLJEY-KRWDZBQOSA-N 1 3 324.440 2.372 20 0 DEADHO CCCN1CCC([N@@H+](C)C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000303979620 403758005 /nfs/dbraw/zinc/75/80/05/403758005.db2.gz DTZZVNKZEVLJEY-KRWDZBQOSA-N 1 3 324.440 2.372 20 0 DEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343957772 403809048 /nfs/dbraw/zinc/80/90/48/403809048.db2.gz FUJVNLOSMHEBOA-DMRKSPOLSA-N 1 3 324.513 2.135 20 0 DEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343957772 403809052 /nfs/dbraw/zinc/80/90/52/403809052.db2.gz FUJVNLOSMHEBOA-DMRKSPOLSA-N 1 3 324.513 2.135 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)Nc2cccc(CN(C)C)c2)CC[N@@H+]1C ZINC000341202540 403828496 /nfs/dbraw/zinc/82/84/96/403828496.db2.gz MWAQKEZZNGQJEO-BBRMVZONSA-N 1 3 304.438 2.352 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)Nc2cccc(CN(C)C)c2)CC[N@H+]1C ZINC000341202540 403828503 /nfs/dbraw/zinc/82/85/03/403828503.db2.gz MWAQKEZZNGQJEO-BBRMVZONSA-N 1 3 304.438 2.352 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCN2CCC(C)CC2)C[C@@H]1C ZINC000361733808 403830045 /nfs/dbraw/zinc/83/00/45/403830045.db2.gz CYUZVVJZIYGHRY-IRXDYDNUSA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCCN2CCC(C)CC2)C[C@@H]1C ZINC000361733808 403830048 /nfs/dbraw/zinc/83/00/48/403830048.db2.gz CYUZVVJZIYGHRY-IRXDYDNUSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CCc2ccc(OCCN(C)C)cc2)[C@H](C)O1 ZINC000295169960 403782534 /nfs/dbraw/zinc/78/25/34/403782534.db2.gz LGTONZCIHBMSEH-VKJFTORMSA-N 1 3 306.450 2.325 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000341242828 403860198 /nfs/dbraw/zinc/86/01/98/403860198.db2.gz WPGNGRHQPFRADR-ZBFHGGJFSA-N 1 3 322.497 2.033 20 0 DEADHO CN1CCCC[C@@H]1CC[N@H+](C)CCC(=O)Nc1cccnc1 ZINC000361824287 403890180 /nfs/dbraw/zinc/89/01/80/403890180.db2.gz BPSIEJZOSFJFFV-MRXNPFEDSA-N 1 3 304.438 2.216 20 0 DEADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCC(=O)Nc1cccnc1 ZINC000361824287 403890186 /nfs/dbraw/zinc/89/01/86/403890186.db2.gz BPSIEJZOSFJFFV-MRXNPFEDSA-N 1 3 304.438 2.216 20 0 DEADHO COC(=O)c1cc(CNCCCC[NH+]2CCC(C)CC2)cn1C ZINC000347930393 403958936 /nfs/dbraw/zinc/95/89/36/403958936.db2.gz XPXZTQABDDORBV-UHFFFAOYSA-N 1 3 321.465 2.413 20 0 DEADHO Cn1cc(CCN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000336729419 403917428 /nfs/dbraw/zinc/91/74/28/403917428.db2.gz XJYYNRKPSSUESK-PMACEKPBSA-N 1 3 324.472 2.417 20 0 DEADHO Cn1cc(CCN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000336729419 403917434 /nfs/dbraw/zinc/91/74/34/403917434.db2.gz XJYYNRKPSSUESK-PMACEKPBSA-N 1 3 324.472 2.417 20 0 DEADHO COc1ccc(CN2CCC(OCCC[NH3+])CC2)cc1OC ZINC000336855262 403928073 /nfs/dbraw/zinc/92/80/73/403928073.db2.gz VSARDWGZQAVELA-UHFFFAOYSA-N 1 3 308.422 2.034 20 0 DEADHO CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1ccnc(OCCN(C)C)c1 ZINC000354651822 403929205 /nfs/dbraw/zinc/92/92/05/403929205.db2.gz QUVFBBCEUISUNG-SJORKVTESA-N 1 3 321.465 2.317 20 0 DEADHO CC(C)C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)N1CCOCC1 ZINC000336868158 403941733 /nfs/dbraw/zinc/94/17/33/403941733.db2.gz RLPIUCMZHSCTJK-NCXUSEDFSA-N 1 3 323.525 2.244 20 0 DEADHO C[C@@H]1C[N@H+](Cc2cccc(CN3CCCCC3)c2)C[C@H]1C(N)=O ZINC000411719061 403949942 /nfs/dbraw/zinc/94/99/42/403949942.db2.gz RJVAYHFXQNQWFK-CRAIPNDOSA-N 1 3 315.461 2.226 20 0 DEADHO C[C@@H]1C[N@@H+](Cc2cccc(CN3CCCCC3)c2)C[C@H]1C(N)=O ZINC000411719061 403949946 /nfs/dbraw/zinc/94/99/46/403949946.db2.gz RJVAYHFXQNQWFK-CRAIPNDOSA-N 1 3 315.461 2.226 20 0 DEADHO CN(C)CCOc1cc(C[NH2+][C@H]2CCOC3(CCC3)C2)ccn1 ZINC000295549110 403985392 /nfs/dbraw/zinc/98/53/92/403985392.db2.gz YGBWAZJSQNGEOX-INIZCTEOSA-N 1 3 319.449 2.213 20 0 DEADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000351902230 403994811 /nfs/dbraw/zinc/99/48/11/403994811.db2.gz ULUSSBMNTWNZBX-OAHLLOKOSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000351902230 403994817 /nfs/dbraw/zinc/99/48/17/403994817.db2.gz ULUSSBMNTWNZBX-OAHLLOKOSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000344290186 404034451 /nfs/dbraw/zinc/03/44/51/404034451.db2.gz YCROTVSPAVYYJZ-HUUCEWRRSA-N 1 3 303.450 2.237 20 0 DEADHO COC[C@@H]1C[C@H](O)CN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411916720 404014037 /nfs/dbraw/zinc/01/40/37/404014037.db2.gz ZIYPSWWPUMUSEA-OALUTQOASA-N 1 3 318.461 2.254 20 0 DEADHO C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000344193594 403969664 /nfs/dbraw/zinc/96/96/64/403969664.db2.gz NSYBLHBALJYKIJ-BPQIPLTHSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000344193594 403969671 /nfs/dbraw/zinc/96/96/71/403969671.db2.gz NSYBLHBALJYKIJ-BPQIPLTHSA-N 1 3 315.461 2.107 20 0 DEADHO CCS(=O)(=O)CCCCC[N@H+](C)C1CCN(C(C)C)CC1 ZINC000354902981 404091695 /nfs/dbraw/zinc/09/16/95/404091695.db2.gz YEMLONJWRQWBHS-UHFFFAOYSA-N 1 3 318.527 2.396 20 0 DEADHO CCS(=O)(=O)CCCCC[N@@H+](C)C1CCN(C(C)C)CC1 ZINC000354902981 404091699 /nfs/dbraw/zinc/09/16/99/404091699.db2.gz YEMLONJWRQWBHS-UHFFFAOYSA-N 1 3 318.527 2.396 20 0 DEADHO Cn1cc(CN2CCC(OCCC[NH3+])CC2)c(C(C)(C)C)n1 ZINC000317592294 404038776 /nfs/dbraw/zinc/03/87/76/404038776.db2.gz HIOIACXTTMSWQF-UHFFFAOYSA-N 1 3 308.470 2.047 20 0 DEADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCCN(C)Cc1ccccc1 ZINC000290117743 404048454 /nfs/dbraw/zinc/04/84/54/404048454.db2.gz ZBNBSTJHPQIYER-IAGOWNOFSA-N 1 3 303.450 2.013 20 0 DEADHO Clc1ccc(OCCCN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000319429742 404056232 /nfs/dbraw/zinc/05/62/32/404056232.db2.gz PUCKUIJQJRBNBA-INIZCTEOSA-N 1 3 323.868 2.088 20 0 DEADHO C[C@@H](F)CCN1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000352007758 404073102 /nfs/dbraw/zinc/07/31/02/404073102.db2.gz YVFYCMDSFWYENX-QGZVFWFLSA-N 1 3 307.457 2.484 20 0 DEADHO C[C@@H](F)CCN1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000352007758 404073106 /nfs/dbraw/zinc/07/31/06/404073106.db2.gz YVFYCMDSFWYENX-QGZVFWFLSA-N 1 3 307.457 2.484 20 0 DEADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000352150942 404179413 /nfs/dbraw/zinc/17/94/13/404179413.db2.gz WEVFEXHPIITQBZ-ZWKOTPCHSA-N 1 3 319.493 2.442 20 0 DEADHO C[C@@H](CC(N)=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000341907327 404249182 /nfs/dbraw/zinc/24/91/82/404249182.db2.gz ZFLVDUMPNILKRM-GJZGRUSLSA-N 1 3 303.450 2.272 20 0 DEADHO C[C@@H](CC(N)=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000341907327 404249190 /nfs/dbraw/zinc/24/91/90/404249190.db2.gz ZFLVDUMPNILKRM-GJZGRUSLSA-N 1 3 303.450 2.272 20 0 DEADHO C[C@@H](CC(N)=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000341907326 404249262 /nfs/dbraw/zinc/24/92/62/404249262.db2.gz ZFLVDUMPNILKRM-CABCVRRESA-N 1 3 303.450 2.272 20 0 DEADHO C[C@@H](CC(N)=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000341907326 404249268 /nfs/dbraw/zinc/24/92/68/404249268.db2.gz ZFLVDUMPNILKRM-CABCVRRESA-N 1 3 303.450 2.272 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000344722808 404331252 /nfs/dbraw/zinc/33/12/52/404331252.db2.gz LSUGYLPUSINDMF-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000344722808 404331254 /nfs/dbraw/zinc/33/12/54/404331254.db2.gz LSUGYLPUSINDMF-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO [NH3+][C@@H]1CCC[C@H]2CN(CCC(=O)Nc3cc(F)cc(F)c3)C[C@@H]21 ZINC000342096133 404363872 /nfs/dbraw/zinc/36/38/72/404363872.db2.gz GTMWCOLWWJSGOH-KNXALSJPSA-N 1 3 323.387 2.353 20 0 DEADHO C[C@@H]1CCN(C)CCN1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338540677 404390621 /nfs/dbraw/zinc/39/06/21/404390621.db2.gz UKOUOVRHOCUKLU-MRXNPFEDSA-N 1 3 315.461 2.449 20 0 DEADHO C[C@@H]1[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CCCN1C ZINC000338542447 404393916 /nfs/dbraw/zinc/39/39/16/404393916.db2.gz OWZAZKOLGGMLKL-CRAIPNDOSA-N 1 3 315.461 2.495 20 0 DEADHO CC[C@H]([NH2+]CCCN1CCN(CC)CC1)c1ccc(F)cn1 ZINC000352554319 404452282 /nfs/dbraw/zinc/45/22/82/404452282.db2.gz FTYIVIPLHHEUFL-INIZCTEOSA-N 1 3 308.445 2.289 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000291878110 404563618 /nfs/dbraw/zinc/56/36/18/404563618.db2.gz LIIDCHZQENAWJC-VNQPRFMTSA-N 1 3 318.417 2.136 20 0 DEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000291878110 404563624 /nfs/dbraw/zinc/56/36/24/404563624.db2.gz LIIDCHZQENAWJC-VNQPRFMTSA-N 1 3 318.417 2.136 20 0 DEADHO CC[C@@H](C)N[C@H](CNC(=O)NCC[N@H+](C)C(C)C)c1ccco1 ZINC000352722212 404575331 /nfs/dbraw/zinc/57/53/31/404575331.db2.gz OCAKAJXOIUKINM-HUUCEWRRSA-N 1 3 324.469 2.348 20 0 DEADHO CC[C@@H](C)N[C@H](CNC(=O)NCC[N@@H+](C)C(C)C)c1ccco1 ZINC000352722212 404575336 /nfs/dbraw/zinc/57/53/36/404575336.db2.gz OCAKAJXOIUKINM-HUUCEWRRSA-N 1 3 324.469 2.348 20 0 DEADHO C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000291915489 404578244 /nfs/dbraw/zinc/57/82/44/404578244.db2.gz RCNZLUGEGBFAGP-YJBOKZPZSA-N 1 3 315.461 2.107 20 0 DEADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)COCc2ccccc2)CC1 ZINC000567492680 292318125 /nfs/dbraw/zinc/31/81/25/292318125.db2.gz LVSCXZPOQAAIAB-SFHVURJKSA-N 1 3 320.477 2.417 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CC=CC[C@H]1C ZINC000342570369 404656326 /nfs/dbraw/zinc/65/63/26/404656326.db2.gz AZFWDFWHBKPYAF-KZNAEPCWSA-N 1 3 321.509 2.463 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CC=CC[C@H]1C ZINC000342570369 404656328 /nfs/dbraw/zinc/65/63/28/404656328.db2.gz AZFWDFWHBKPYAF-KZNAEPCWSA-N 1 3 321.509 2.463 20 0 DEADHO CC(C)N(C)CCC[NH2+][C@@H](C)Cn1cc(Br)cn1 ZINC000345226897 404625084 /nfs/dbraw/zinc/62/50/84/404625084.db2.gz FRLFTLLZCVXAEM-LBPRGKRZSA-N 1 3 317.275 2.354 20 0 DEADHO CN(CCNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C1CC1 ZINC000373890578 404628584 /nfs/dbraw/zinc/62/85/84/404628584.db2.gz NAHGSSWGPFDGSV-KRWDZBQOSA-N 1 3 322.497 2.177 20 0 DEADHO CN(CCNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)C1CC1 ZINC000373890578 404628589 /nfs/dbraw/zinc/62/85/89/404628589.db2.gz NAHGSSWGPFDGSV-KRWDZBQOSA-N 1 3 322.497 2.177 20 0 DEADHO CC[C@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@H](O)C(F)(F)F ZINC000297806104 404629065 /nfs/dbraw/zinc/62/90/65/404629065.db2.gz XVCPVGKFKDCUPD-KBPBESRZSA-N 1 3 317.355 2.342 20 0 DEADHO OC[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1CCCOC1 ZINC000414537895 404670316 /nfs/dbraw/zinc/67/03/16/404670316.db2.gz ABSWUKZJABHOLE-QAPCUYQASA-N 1 3 310.482 2.161 20 0 DEADHO OC[C@H](NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCOC1 ZINC000414537895 404670322 /nfs/dbraw/zinc/67/03/22/404670322.db2.gz ABSWUKZJABHOLE-QAPCUYQASA-N 1 3 310.482 2.161 20 0 DEADHO C[C@H]1C[C@@H](CN2CCN(CCc3cccs3)CC2)CC[NH2+]1 ZINC000414669510 404704301 /nfs/dbraw/zinc/70/43/01/404704301.db2.gz BNCFPHUSKTVJIC-HOTGVXAUSA-N 1 3 307.507 2.296 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2c2cccs2)C1 ZINC000414674264 404705665 /nfs/dbraw/zinc/70/56/65/404705665.db2.gz DLCZXKJZIAAANW-KGLIPLIRSA-N 1 3 307.463 2.082 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]2c2cccs2)C1 ZINC000414674264 404705668 /nfs/dbraw/zinc/70/56/68/404705668.db2.gz DLCZXKJZIAAANW-KGLIPLIRSA-N 1 3 307.463 2.082 20 0 DEADHO C[C@@H]1C[C@H](CN2CCN(CCc3ccccc3)CC2)CC[NH2+]1 ZINC000414682197 404706693 /nfs/dbraw/zinc/70/66/93/404706693.db2.gz QXHHCNDXDIPXAO-IEBWSBKVSA-N 1 3 301.478 2.235 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000365876489 404737585 /nfs/dbraw/zinc/73/75/85/404737585.db2.gz IXYLNNVSOBVKPG-SJLPKXTDSA-N 1 3 315.461 2.305 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000365876489 404737586 /nfs/dbraw/zinc/73/75/86/404737586.db2.gz IXYLNNVSOBVKPG-SJLPKXTDSA-N 1 3 315.461 2.305 20 0 DEADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC(C)(C)N ZINC000414800694 404738556 /nfs/dbraw/zinc/73/85/56/404738556.db2.gz IFCHHAWODZIBIH-GFCCVEGCSA-N 1 3 311.857 2.404 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000357857732 404746864 /nfs/dbraw/zinc/74/68/64/404746864.db2.gz DAPAVMPWOOGCGG-ZNMIVQPWSA-N 1 3 310.486 2.031 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000357857732 404746865 /nfs/dbraw/zinc/74/68/65/404746865.db2.gz DAPAVMPWOOGCGG-ZNMIVQPWSA-N 1 3 310.486 2.031 20 0 DEADHO C[C@H](Cn1cc(Br)cn1)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414848266 404748082 /nfs/dbraw/zinc/74/80/82/404748082.db2.gz GFXRJZRKDGLZSB-UTUOFQBUSA-N 1 3 315.259 2.012 20 0 DEADHO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000414848266 404748083 /nfs/dbraw/zinc/74/80/83/404748083.db2.gz GFXRJZRKDGLZSB-UTUOFQBUSA-N 1 3 315.259 2.012 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)N[C@@H](C[NH3+])CC(C)C)cc1 ZINC000414856690 404749212 /nfs/dbraw/zinc/74/92/12/404749212.db2.gz ZIZHGYCLOOMVHF-DZGCQCFKSA-N 1 3 307.438 2.375 20 0 DEADHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H](C)CN ZINC000414876338 404754641 /nfs/dbraw/zinc/75/46/41/404754641.db2.gz LFJFULQSYDGHEZ-UONOGXRCSA-N 1 3 317.433 2.026 20 0 DEADHO CCC[NH2+]CCNC1CCN(CCc2ccc(F)cc2)CC1 ZINC000414877620 404755667 /nfs/dbraw/zinc/75/56/67/404755667.db2.gz YCZNIDOAVLTGKB-UHFFFAOYSA-N 1 3 307.457 2.422 20 0 DEADHO CN(c1ccccc1CNC[C@@H]([NH3+])C1CC1)C1CCN(C)CC1 ZINC000414882695 404757096 /nfs/dbraw/zinc/75/70/96/404757096.db2.gz CELZYRVOIMAMNK-GOSISDBHSA-N 1 3 316.493 2.044 20 0 DEADHO C[C@@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1=CCN(C)CC1 ZINC000358396202 404761333 /nfs/dbraw/zinc/76/13/33/404761333.db2.gz KQFAYKJWMUGGAQ-WBVHZDCISA-N 1 3 319.493 2.408 20 0 DEADHO C[C@@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1=CCN(C)CC1 ZINC000358396202 404761336 /nfs/dbraw/zinc/76/13/36/404761336.db2.gz KQFAYKJWMUGGAQ-WBVHZDCISA-N 1 3 319.493 2.408 20 0 DEADHO CN1CCC(CC(=O)N2CCCC3(CC[NH+](C)CC3)C2)CC1 ZINC000366175986 404767195 /nfs/dbraw/zinc/76/71/95/404767195.db2.gz BRQIRQDWGUAYPY-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO CC1(C)CCC[NH2+][C@H]1CNC1CCN(c2nccs2)CC1 ZINC000414921885 404767464 /nfs/dbraw/zinc/76/74/64/404767464.db2.gz BZQLZWVYOPALSV-AWEZNQCLSA-N 1 3 308.495 2.480 20 0 DEADHO CCN1CCN(c2ccccc2CN[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000414933143 404769700 /nfs/dbraw/zinc/76/97/00/404769700.db2.gz ANGRVLJASZRKCE-WMZOPIPTSA-N 1 3 316.493 2.059 20 0 DEADHO C[C@H]1C[C@@H](CN2CCCN(C(=O)c3ccsc3)CC2)CC[NH2+]1 ZINC000414699512 404711010 /nfs/dbraw/zinc/71/10/10/404711010.db2.gz IMACPGRMYLRPGY-GJZGRUSLSA-N 1 3 321.490 2.284 20 0 DEADHO C[N@H+](CCCCc1ccccc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414701739 404711901 /nfs/dbraw/zinc/71/19/01/404711901.db2.gz KRPUHMRQDDDWFO-GOSISDBHSA-N 1 3 317.477 2.138 20 0 DEADHO C[N@@H+](CCCCc1ccccc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414701739 404711905 /nfs/dbraw/zinc/71/19/05/404711905.db2.gz KRPUHMRQDDDWFO-GOSISDBHSA-N 1 3 317.477 2.138 20 0 DEADHO C[C@H](c1nccs1)N1CCN(C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414753853 404724894 /nfs/dbraw/zinc/72/48/94/404724894.db2.gz NBZLBQKXAVYVEK-KFWWJZLASA-N 1 3 308.495 2.210 20 0 DEADHO COc1cc(Br)c(CN[C@@H](C)CCC[NH3+])cc1O ZINC000415027998 404791073 /nfs/dbraw/zinc/79/10/73/404791073.db2.gz XQNUPWCWFXVWBX-VIFPVBQESA-N 1 3 317.227 2.380 20 0 DEADHO CC[NH2+][C@H](C)CNC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000415202286 404826901 /nfs/dbraw/zinc/82/69/01/404826901.db2.gz IBHYIPYWFMUKFH-CQSZACIVSA-N 1 3 322.453 2.055 20 0 DEADHO CCC[C@](C)([NH3+])C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000353440295 404831132 /nfs/dbraw/zinc/83/11/32/404831132.db2.gz NKSSUVMSRPZBSF-LESCRADOSA-N 1 3 303.450 2.456 20 0 DEADHO CCCC[C@H]([NH3+])C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000353442630 404832269 /nfs/dbraw/zinc/83/22/69/404832269.db2.gz SQTGPKCLPIRMKC-PVAVHDDUSA-N 1 3 303.450 2.456 20 0 DEADHO C[C@@H](CCCC[NH3+])NC(=O)Nc1ccccc1CCN(C)C ZINC000415562467 404884909 /nfs/dbraw/zinc/88/49/09/404884909.db2.gz GXKYSHYMFJNCJY-AWEZNQCLSA-N 1 3 306.454 2.430 20 0 DEADHO C[C@H]1CCCN(C(=O)Nc2ccccc2CCN(C)C)[C@H]1C[NH3+] ZINC000415567513 404885388 /nfs/dbraw/zinc/88/53/88/404885388.db2.gz JWMSDNKCHJSYMN-YOEHRIQHSA-N 1 3 318.465 2.382 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000415571521 404887337 /nfs/dbraw/zinc/88/73/37/404887337.db2.gz MRVIWRSFMFZZGI-MRXNPFEDSA-N 1 3 318.465 2.300 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000415568767 404887374 /nfs/dbraw/zinc/88/73/74/404887374.db2.gz KTXFXGBPECNXSQ-HNNXBMFYSA-N 1 3 318.465 2.302 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)N1CCCC[C@H]1C[NH3+] ZINC000415582266 404889725 /nfs/dbraw/zinc/88/97/25/404889725.db2.gz UFXIKZRCPPXGNN-HNNXBMFYSA-N 1 3 304.438 2.136 20 0 DEADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C23CCCN2CCC3)C1 ZINC000377633752 404841250 /nfs/dbraw/zinc/84/12/50/404841250.db2.gz LJBMDQBDFFKQIM-HOTGVXAUSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H](CCc1ccc(F)cc1F)NC[C@H](O)C[NH+]1CCCC1 ZINC000353501385 404849501 /nfs/dbraw/zinc/84/95/01/404849501.db2.gz IBCRXSMCOMIXET-CJNGLKHVSA-N 1 3 312.404 2.332 20 0 DEADHO COC[C@H](C)NC(=[NH2+])NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000366819652 404852845 /nfs/dbraw/zinc/85/28/45/404852845.db2.gz NHZUOFJOPZSVEJ-YJBOKZPZSA-N 1 3 318.465 2.047 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000361083000 404909351 /nfs/dbraw/zinc/90/93/51/404909351.db2.gz WYTJFFORILXIBA-CRAIPNDOSA-N 1 3 317.477 2.385 20 0 DEADHO C[C@@H]1CCN(C(=O)NCC(C)(C)N2CCCCC2)[C@@H](C[NH3+])C1 ZINC000416836325 404929643 /nfs/dbraw/zinc/92/96/43/404929643.db2.gz VAPNQKULQRQBDH-HUUCEWRRSA-N 1 3 310.486 2.020 20 0 DEADHO C[C@H]([NH3+])C1CCN(C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000416836824 404929714 /nfs/dbraw/zinc/92/97/14/404929714.db2.gz WDMURAYNYISBEH-AWEZNQCLSA-N 1 3 310.486 2.020 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N[C@H](C[NH3+])C1CC1)c1ccccc1 ZINC000416841631 404930941 /nfs/dbraw/zinc/93/09/41/404930941.db2.gz MCGCZYPHFXGBEQ-SJORKVTESA-N 1 3 318.465 2.106 20 0 DEADHO COCC1(CN2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CCC1 ZINC000361289250 405008523 /nfs/dbraw/zinc/00/85/23/405008523.db2.gz PWWSDFQGALYQNJ-HDICACEKSA-N 1 3 323.525 2.294 20 0 DEADHO COCC1(CN2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CCC1 ZINC000361289250 405008529 /nfs/dbraw/zinc/00/85/29/405008529.db2.gz PWWSDFQGALYQNJ-HDICACEKSA-N 1 3 323.525 2.294 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1cccc(CN(C)C)c1 ZINC000417068737 405025778 /nfs/dbraw/zinc/02/57/78/405025778.db2.gz OAPIUSKFBZQWIC-YOEHRIQHSA-N 1 3 318.465 2.160 20 0 DEADHO CCN1CCC(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416122241 405027292 /nfs/dbraw/zinc/02/72/92/405027292.db2.gz IRJDWMHBHDGTRY-KRWDZBQOSA-N 1 3 303.450 2.280 20 0 DEADHO CCCC[C@H](C[NH3+])NC(=O)NCc1cccc(CN(C)C)c1 ZINC000417075599 405028510 /nfs/dbraw/zinc/02/85/10/405028510.db2.gz VMGPKIRMXQWDCJ-MRXNPFEDSA-N 1 3 306.454 2.065 20 0 DEADHO CN(C)[C@H](CC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000416135336 405031394 /nfs/dbraw/zinc/03/13/94/405031394.db2.gz OQMGLVHMKLFYCI-OKZBNKHCSA-N 1 3 315.461 2.422 20 0 DEADHO CN(C)[C@H](CC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000416135336 405031397 /nfs/dbraw/zinc/03/13/97/405031397.db2.gz OQMGLVHMKLFYCI-OKZBNKHCSA-N 1 3 315.461 2.422 20 0 DEADHO [NH3+][C@H](CCC(=O)N[C@H]1CNCCC1(F)F)CC1CCCCC1 ZINC000424192877 405035018 /nfs/dbraw/zinc/03/50/18/405035018.db2.gz PYPRATXYQBQZLS-KGLIPLIRSA-N 1 3 317.424 2.178 20 0 DEADHO COC1CCN(C2(C[NH2+][C@H]3CCN(C)[C@H](C)C3)CCCC2)CC1 ZINC000361221723 404980621 /nfs/dbraw/zinc/98/06/21/404980621.db2.gz UYPIKZQCDYFHNW-SJORKVTESA-N 1 3 323.525 2.482 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415954290 404982959 /nfs/dbraw/zinc/98/29/59/404982959.db2.gz IFMRRFKPXYVHCA-HNNXBMFYSA-N 1 3 304.438 2.387 20 0 DEADHO CC(C)[C@@H](CNC(=O)N1C[C@@H](C)NC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000417007513 404997767 /nfs/dbraw/zinc/99/77/67/404997767.db2.gz KZWIVPVRPHMHDQ-IXDOHACOSA-N 1 3 324.513 2.135 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc4c(c3)CNC4)CC[C@H]21 ZINC000415995834 405000822 /nfs/dbraw/zinc/00/08/22/405000822.db2.gz LWAANPMCNZERIA-RHSMWYFYSA-N 1 3 314.433 2.238 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc4c(c3)CNC4)CC[C@H]21 ZINC000415995834 405000824 /nfs/dbraw/zinc/00/08/24/405000824.db2.gz LWAANPMCNZERIA-RHSMWYFYSA-N 1 3 314.433 2.238 20 0 DEADHO Cc1cc(C[NH3+])cc(NC(=O)N[C@@H](C)CN2CCCCC2)c1 ZINC000424446627 405097571 /nfs/dbraw/zinc/09/75/71/405097571.db2.gz RYEHLONQMWUVIM-AWEZNQCLSA-N 1 3 304.438 2.450 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000389898638 405041527 /nfs/dbraw/zinc/04/15/27/405041527.db2.gz BOGVEIXNPFDRLA-SZVBFZGTSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@@H]1CC[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000436135409 405049865 /nfs/dbraw/zinc/04/98/65/405049865.db2.gz WJNOPJDHSFUYIF-ZBFHGGJFSA-N 1 3 322.497 2.033 20 0 DEADHO COc1cc2c(cc1CNCC1=CC[N@H+](C)CC1)O[C@H](C)C2 ZINC000392264335 405052269 /nfs/dbraw/zinc/05/22/69/405052269.db2.gz UROHVFGMXXRQPU-CYBMUJFWSA-N 1 3 302.418 2.370 20 0 DEADHO COc1cc2c(cc1CNCC1=CC[N@@H+](C)CC1)O[C@H](C)C2 ZINC000392264335 405052273 /nfs/dbraw/zinc/05/22/73/405052273.db2.gz UROHVFGMXXRQPU-CYBMUJFWSA-N 1 3 302.418 2.370 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416189639 405053245 /nfs/dbraw/zinc/05/32/45/405053245.db2.gz JXEUQJMHNVVPDF-FHLIZLRMSA-N 1 3 315.461 2.278 20 0 DEADHO N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(Cc1ccccc1)C1CC1 ZINC000424277472 405056250 /nfs/dbraw/zinc/05/62/50/405056250.db2.gz AMCKYXLRNJJLMV-IAGOWNOFSA-N 1 3 301.434 2.037 20 0 DEADHO C[C@@H]1CC2(CN1CC(=O)N(C)Cc1cccs1)CC[NH2+]CC2 ZINC000424288163 405057886 /nfs/dbraw/zinc/05/78/86/405057886.db2.gz KJSHXIIIKJHKDZ-CQSZACIVSA-N 1 3 321.490 2.171 20 0 DEADHO C[C@@H]1CC2(CN1Cc1cccc3c1OCCO3)CC[NH2+]CC2 ZINC000424292108 405060136 /nfs/dbraw/zinc/06/01/36/405060136.db2.gz OBNRDDMKSZKXGH-CQSZACIVSA-N 1 3 302.418 2.422 20 0 DEADHO Cc1ccccc1CNC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424298262 405061050 /nfs/dbraw/zinc/06/10/50/405061050.db2.gz UGERVSRELOGYCY-MRXNPFEDSA-N 1 3 315.461 2.075 20 0 DEADHO CC(C)[C@@H](C(=O)NCCN1CCC(C)CC1)[NH+]1CCCCC1 ZINC000354165093 405077322 /nfs/dbraw/zinc/07/73/22/405077322.db2.gz DOICAICIYODQHO-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@@H](C(=O)NCCN1CCC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000354165098 405078018 /nfs/dbraw/zinc/07/80/18/405078018.db2.gz DOSAHKHFQMMKAG-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CC1(C)[C@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@@H]2CCO[C@H]21 ZINC000436471031 405084804 /nfs/dbraw/zinc/08/48/04/405084804.db2.gz PEQZTEVCHQQPNC-GVDBMIGSSA-N 1 3 301.434 2.454 20 0 DEADHO Cc1ccc([C@H](CNC(=O)N(C)CC(C)(C)C[NH3+])N(C)C)cc1 ZINC000417314975 405086251 /nfs/dbraw/zinc/08/62/51/405086251.db2.gz RRIMWKBIKAWGLI-INIZCTEOSA-N 1 3 320.481 2.224 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000418242847 405118695 /nfs/dbraw/zinc/11/86/95/405118695.db2.gz VKGSLYAHUSDTAL-ULQDDVLXSA-N 1 3 324.513 2.123 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000418356318 405123682 /nfs/dbraw/zinc/12/36/82/405123682.db2.gz PXCIMBIKAUPPDC-WMZOPIPTSA-N 1 3 318.465 2.190 20 0 DEADHO CC(C)C[C@H](C[NH3+])NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000418413455 405126349 /nfs/dbraw/zinc/12/63/49/405126349.db2.gz JSSDBNAZYWZTGA-AQFXKWCLSA-N 1 3 324.513 2.266 20 0 DEADHO CN(C)CCN(C(=O)NCCC[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000418767500 405198460 /nfs/dbraw/zinc/19/84/60/405198460.db2.gz LNUZVNUIVBHCLC-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO CC(C)N1CCN(CCC[NH+]2CCC(OC3CCC3)CC2)CC1 ZINC000419296166 405236193 /nfs/dbraw/zinc/23/61/93/405236193.db2.gz DAIXAYDIJICOBB-UHFFFAOYSA-N 1 3 323.525 2.436 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000438859519 405256666 /nfs/dbraw/zinc/25/66/66/405256666.db2.gz PNSOQOPHEKHWBZ-GVDBMIGSSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000438859519 405256667 /nfs/dbraw/zinc/25/66/67/405256667.db2.gz PNSOQOPHEKHWBZ-GVDBMIGSSA-N 1 3 324.513 2.279 20 0 DEADHO CCc1ccccc1CN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000420307520 405312846 /nfs/dbraw/zinc/31/28/46/405312846.db2.gz ITRSMJAOFROXAC-QGZVFWFLSA-N 1 3 303.450 2.069 20 0 DEADHO Fc1ccc(F)c(N2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000420311093 405314805 /nfs/dbraw/zinc/31/48/05/405314805.db2.gz GSTSLYOTSZQEIK-AWEZNQCLSA-N 1 3 309.404 2.477 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN2C[C@@H]3CCCCN3C[C@@H]2C)cc1 ZINC000420318036 405316819 /nfs/dbraw/zinc/31/68/19/405316819.db2.gz NQLUZRNOOIRJNU-JQHSSLGASA-N 1 3 317.477 2.296 20 0 DEADHO C[N@H+](CCCCOc1ccccc1C(F)(F)F)C[C@@H](O)CN ZINC000420356509 405329556 /nfs/dbraw/zinc/32/95/56/405329556.db2.gz QTCUDWNXHXIACU-LBPRGKRZSA-N 1 3 320.355 2.116 20 0 DEADHO C[N@@H+](CCCCOc1ccccc1C(F)(F)F)C[C@@H](O)CN ZINC000420356509 405329559 /nfs/dbraw/zinc/32/95/59/405329559.db2.gz QTCUDWNXHXIACU-LBPRGKRZSA-N 1 3 320.355 2.116 20 0 DEADHO CN(CCCCOc1ccccc1C(F)(F)F)C[C@@H](O)C[NH3+] ZINC000420356509 405329563 /nfs/dbraw/zinc/32/95/63/405329563.db2.gz QTCUDWNXHXIACU-LBPRGKRZSA-N 1 3 320.355 2.116 20 0 DEADHO CC1CCN(CCNC(=O)NC2CC[NH+](C3CCC3)CC2)CC1 ZINC000454330152 405330414 /nfs/dbraw/zinc/33/04/14/405330414.db2.gz WSEWFYFZWIMGRS-UHFFFAOYSA-N 1 3 322.497 2.034 20 0 DEADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(CCOc2ccc(F)cc2)CC1 ZINC000420381909 405339190 /nfs/dbraw/zinc/33/91/90/405339190.db2.gz PGCCZBQEAHIKLO-ZWKOTPCHSA-N 1 3 322.424 2.423 20 0 DEADHO C[C@@H]1CCN(CCc2nc(-c3ccccc3)no2)C[C@@H]1C[NH3+] ZINC000420390725 405341633 /nfs/dbraw/zinc/34/16/33/405341633.db2.gz AGGHTZLZFQYSRL-HIFRSBDPSA-N 1 3 300.406 2.196 20 0 DEADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCCN1C1CCCC1 ZINC000440112148 405302208 /nfs/dbraw/zinc/30/22/08/405302208.db2.gz XESAHURZTLTTSB-HYVNUMGLSA-N 1 3 305.466 2.136 20 0 DEADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCCN1C1CCCC1 ZINC000440112148 405302210 /nfs/dbraw/zinc/30/22/10/405302210.db2.gz XESAHURZTLTTSB-HYVNUMGLSA-N 1 3 305.466 2.136 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000420789783 405385085 /nfs/dbraw/zinc/38/50/85/405385085.db2.gz YGAMJWJETFAIPO-BRWVUGGUSA-N 1 3 324.513 2.090 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)NCC1CC[NH+](C)CC1 ZINC000446579583 405385237 /nfs/dbraw/zinc/38/52/37/405385237.db2.gz GHTGCJLSZAKHEY-UHFFFAOYSA-N 1 3 318.465 2.254 20 0 DEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C[C@H]1CCCN1C ZINC000420804645 405387653 /nfs/dbraw/zinc/38/76/53/405387653.db2.gz NRELNPSOBRFVGQ-YYIAUSFCSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C[C@H]1CCCN1C ZINC000420804645 405387654 /nfs/dbraw/zinc/38/76/54/405387654.db2.gz NRELNPSOBRFVGQ-YYIAUSFCSA-N 1 3 324.513 2.088 20 0 DEADHO CC[NH2+]CC1CCN([C@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000430566878 405458871 /nfs/dbraw/zinc/45/88/71/405458871.db2.gz DOKBNVPFCNUHGM-ISXOHVOVSA-N 1 3 309.498 2.391 20 0 DEADHO COc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2[C@@H](C)N)cc1 ZINC000430616479 405467847 /nfs/dbraw/zinc/46/78/47/405467847.db2.gz FQLABNHMMCPLMX-CZUORRHYSA-N 1 3 305.422 2.226 20 0 DEADHO COc1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@@H](C)N)cc1 ZINC000430616479 405467850 /nfs/dbraw/zinc/46/78/50/405467850.db2.gz FQLABNHMMCPLMX-CZUORRHYSA-N 1 3 305.422 2.226 20 0 DEADHO [NH3+]C[C@H]1CCCN(CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000430624514 405468806 /nfs/dbraw/zinc/46/88/06/405468806.db2.gz IYAGDMOBOCQHOP-CRAIPNDOSA-N 1 3 315.461 2.241 20 0 DEADHO CO[C@H](C[NH2+]C1CCN(C2CCN(C)CC2)CC1)CC(C)C ZINC000638459197 405481852 /nfs/dbraw/zinc/48/18/52/405481852.db2.gz IJMWTSYYNSTKSB-SFHVURJKSA-N 1 3 311.514 2.196 20 0 DEADHO CSc1ccccc1NC(=O)CCN(C)C1CC[NH2+]CC1 ZINC000430655935 405482492 /nfs/dbraw/zinc/48/24/92/405482492.db2.gz SIMGNLQYELKXSB-UHFFFAOYSA-N 1 3 307.463 2.421 20 0 DEADHO CSc1ccccc1NC(=O)CC[N@H+](C)C1CCNCC1 ZINC000430655935 405482500 /nfs/dbraw/zinc/48/25/00/405482500.db2.gz SIMGNLQYELKXSB-UHFFFAOYSA-N 1 3 307.463 2.421 20 0 DEADHO CSc1ccccc1NC(=O)CC[N@@H+](C)C1CCNCC1 ZINC000430655935 405482506 /nfs/dbraw/zinc/48/25/06/405482506.db2.gz SIMGNLQYELKXSB-UHFFFAOYSA-N 1 3 307.463 2.421 20 0 DEADHO CC[C@@H]1CCCCN1CC[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000638587577 405559039 /nfs/dbraw/zinc/55/90/39/405559039.db2.gz FWURIBXAESNDGG-QGZVFWFLSA-N 1 3 311.514 2.076 20 0 DEADHO C[C@H](CC[NH+](C)C)NC[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000577842177 405524065 /nfs/dbraw/zinc/52/40/65/405524065.db2.gz LPOLJQMEZOXMON-SZVBFZGTSA-N 1 3 320.477 2.371 20 0 DEADHO CC(C)N1CC[C@H](N(C)C(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000458661819 405528291 /nfs/dbraw/zinc/52/82/91/405528291.db2.gz PFMZZYOLFHCCKD-INIZCTEOSA-N 1 3 324.513 2.233 20 0 DEADHO [NH3+]Cc1cn([C@@H]2CCCN(Cc3cc4ccccc4o3)C2)nn1 ZINC000556963548 405565182 /nfs/dbraw/zinc/56/51/82/405565182.db2.gz OHVPEYQUSDTHMI-OAHLLOKOSA-N 1 3 311.389 2.320 20 0 DEADHO NCc1cn([C@@H]2CCC[N@H+](Cc3cc4ccccc4o3)C2)nn1 ZINC000556963548 405565186 /nfs/dbraw/zinc/56/51/86/405565186.db2.gz OHVPEYQUSDTHMI-OAHLLOKOSA-N 1 3 311.389 2.320 20 0 DEADHO NCc1cn([C@@H]2CCC[N@@H+](Cc3cc4ccccc4o3)C2)nn1 ZINC000556963548 405565187 /nfs/dbraw/zinc/56/51/87/405565187.db2.gz OHVPEYQUSDTHMI-OAHLLOKOSA-N 1 3 311.389 2.320 20 0 DEADHO Cn1cc(CN2CCC3(CC[NH2+]C3)CC2)c(-c2cccnc2)n1 ZINC000430935977 405534820 /nfs/dbraw/zinc/53/48/20/405534820.db2.gz SHAGBJMUMHCKBG-UHFFFAOYSA-N 1 3 311.433 2.058 20 0 DEADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2c(C)cccc2OC)CC1 ZINC000638550748 405542753 /nfs/dbraw/zinc/54/27/53/405542753.db2.gz IROCVNKASRMKGX-INIZCTEOSA-N 1 3 319.493 2.367 20 0 DEADHO C[C@H]([NH3+])C1CCN([C@@H](C)C(=O)NCc2ccccc2Cl)CC1 ZINC000430955888 405545216 /nfs/dbraw/zinc/54/52/16/405545216.db2.gz BHJDLVCZASWQFM-STQMWFEESA-N 1 3 323.868 2.404 20 0 DEADHO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N1CCC([C@H](C)[NH3+])CC1 ZINC000430963044 405549816 /nfs/dbraw/zinc/54/98/16/405549816.db2.gz RXVNVDIPMRMWSR-MELADBBJSA-N 1 3 321.440 2.451 20 0 DEADHO COc1cc(CN(C)C)ccc1NC(=O)CC1CC[NH+](C)CC1 ZINC000633376081 405606660 /nfs/dbraw/zinc/60/66/60/405606660.db2.gz NFENPQURMKMNSK-UHFFFAOYSA-N 1 3 319.449 2.427 20 0 DEADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccc2c(c1)OCCNC2 ZINC000638669235 405607122 /nfs/dbraw/zinc/60/71/22/405607122.db2.gz PNCBHYNZUUSPIF-LQDVMPOASA-N 1 3 315.417 2.028 20 0 DEADHO CC(C)N1CCCN(C(=O)NCCCCC[NH+]2CCCC2)CC1 ZINC000458839519 405622086 /nfs/dbraw/zinc/62/20/86/405622086.db2.gz DLIWIBMOUHAXMK-UHFFFAOYSA-N 1 3 324.513 2.378 20 0 DEADHO CN(C[C@@H]1CCCN(C)C1)C(=O)NCCCCC[NH+]1CCCC1 ZINC000458862063 405631226 /nfs/dbraw/zinc/63/12/26/405631226.db2.gz XICXBPLBCVAKFC-QGZVFWFLSA-N 1 3 324.513 2.236 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000458758077 405575094 /nfs/dbraw/zinc/57/50/94/405575094.db2.gz FMXPGXCWAGOVIR-ZOBUZTSGSA-N 1 3 320.481 2.236 20 0 DEADHO CCCN[C@@H](C)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000449506875 405586745 /nfs/dbraw/zinc/58/67/45/405586745.db2.gz SNMNZVCHFVJLIH-VIFPVBQESA-N 1 3 303.328 2.491 20 0 DEADHO CCC[NH2+][C@@H](C)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000449506875 405586752 /nfs/dbraw/zinc/58/67/52/405586752.db2.gz SNMNZVCHFVJLIH-VIFPVBQESA-N 1 3 303.328 2.491 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000458810356 405602668 /nfs/dbraw/zinc/60/26/68/405602668.db2.gz KGHUXPGJCHJJAI-CVEARBPZSA-N 1 3 324.513 2.233 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000458810356 405602682 /nfs/dbraw/zinc/60/26/82/405602682.db2.gz KGHUXPGJCHJJAI-CVEARBPZSA-N 1 3 324.513 2.233 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](C)C3)CC2)CC1 ZINC000580568868 405647302 /nfs/dbraw/zinc/64/73/02/405647302.db2.gz SLUFZFUDMIPILL-HNNXBMFYSA-N 1 3 307.482 2.051 20 0 DEADHO O=C1NCCN(CC[C@@H]2CCC[NH2+]C2)[C@@H]1CC1CCCCC1 ZINC000422628324 405673855 /nfs/dbraw/zinc/67/38/55/405673855.db2.gz AFZOHVNZESIDNQ-DLBZAZTESA-N 1 3 307.482 2.147 20 0 DEADHO O=C1NCCN(CC[C@@H]2CCC[NH2+]C2)[C@H]1CC1CCCCC1 ZINC000422628326 405674504 /nfs/dbraw/zinc/67/45/04/405674504.db2.gz AFZOHVNZESIDNQ-IRXDYDNUSA-N 1 3 307.482 2.147 20 0 DEADHO CC(C)[C@@H](C[NH2+][C@H](C1CC1)[C@@H]1CNCCO1)N1CCC(C)CC1 ZINC000422842019 405686564 /nfs/dbraw/zinc/68/65/64/405686564.db2.gz DZHKMKCNTORLTJ-CEXWTWQISA-N 1 3 323.525 2.100 20 0 DEADHO CC(C)[C@@H](CN[C@H](C1CC1)[C@@H]1CNCCO1)[NH+]1CCC(C)CC1 ZINC000422842019 405686566 /nfs/dbraw/zinc/68/65/66/405686566.db2.gz DZHKMKCNTORLTJ-CEXWTWQISA-N 1 3 323.525 2.100 20 0 DEADHO C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2CCCN2C2CCOCC2)cc1 ZINC000422873111 405688912 /nfs/dbraw/zinc/68/89/12/405688912.db2.gz KAKKBQNUQRVHCI-SUMWQHHRSA-N 1 3 317.433 2.288 20 0 DEADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCCOCC1CC1 ZINC000422884749 405689949 /nfs/dbraw/zinc/68/99/49/405689949.db2.gz FPPMMZOKTGJKFH-SJLPKXTDSA-N 1 3 302.418 2.259 20 0 DEADHO CC[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])Oc1ccccc1F ZINC000422821291 405684037 /nfs/dbraw/zinc/68/40/37/405684037.db2.gz VIRKQXBVRRJKNM-IXYNUQLISA-N 1 3 310.413 2.325 20 0 DEADHO C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1)[C@@H]1CCCCN1 ZINC000423073322 405700319 /nfs/dbraw/zinc/70/03/19/405700319.db2.gz INUCPKYHWBUOBP-NBMRYCAZSA-N 1 3 306.425 2.412 20 0 DEADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H](CO)c1ccc(F)cc1 ZINC000423177319 405711725 /nfs/dbraw/zinc/71/17/25/405711725.db2.gz HCRSXMIQCSPQNZ-UCLAIMLFSA-N 1 3 316.420 2.450 20 0 DEADHO Cn1cc(CCC[NH2+]CC2CCN(c3ccncc3)CC2)cn1 ZINC000638836589 405704329 /nfs/dbraw/zinc/70/43/29/405704329.db2.gz IZPWVXPJKGRLSB-UHFFFAOYSA-N 1 3 313.449 2.254 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCOc1ccc(F)c(Cl)c1 ZINC000423155060 405706495 /nfs/dbraw/zinc/70/64/95/405706495.db2.gz ISSKQDNBRVJVQX-NVBFEUDRSA-N 1 3 316.804 2.200 20 0 DEADHO CC[C@H](CNC(=O)[C@@H]([NH3+])C1CCC1)N1CCc2ccccc2C1 ZINC000423319968 405760591 /nfs/dbraw/zinc/76/05/91/405760591.db2.gz FVCMPVHHCYXNAA-MSOLQXFVSA-N 1 3 315.461 2.067 20 0 DEADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H](N)C2CC2)c2ccccc21 ZINC000423325615 405761505 /nfs/dbraw/zinc/76/15/05/405761505.db2.gz QIQTZGMFAZAGLY-IXDOHACOSA-N 1 3 302.418 2.495 20 0 DEADHO CC(C)[C@@H]([NH3+])CNC1CCC2(CC1)c1ccccc1NC2=O ZINC000423268982 405742718 /nfs/dbraw/zinc/74/27/18/405742718.db2.gz GSRLTAZEIDAKNE-DBQDNQAGSA-N 1 3 301.434 2.392 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423365325 405778458 /nfs/dbraw/zinc/77/84/58/405778458.db2.gz BNGGHNYHWXBHKH-HZSPNIEDSA-N 1 3 305.422 2.142 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000423365325 405778464 /nfs/dbraw/zinc/77/84/64/405778464.db2.gz BNGGHNYHWXBHKH-HZSPNIEDSA-N 1 3 305.422 2.142 20 0 DEADHO [NH3+]CC1(CC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CC1 ZINC000423365166 405778640 /nfs/dbraw/zinc/77/86/40/405778640.db2.gz WEJLRKPFDMRTPJ-AWEZNQCLSA-N 1 3 321.490 2.205 20 0 DEADHO CCN1C[C@H](C)[C@H](N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000423379852 405782685 /nfs/dbraw/zinc/78/26/85/405782685.db2.gz XYHYTTWCDVUDMF-BAGBSZHRSA-N 1 3 323.431 2.340 20 0 DEADHO CCN1C[C@H](C)[C@H](N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000423379854 405783792 /nfs/dbraw/zinc/78/37/92/405783792.db2.gz XYHYTTWCDVUDMF-MZTNWIODSA-N 1 3 323.431 2.340 20 0 DEADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CNC3)[C@H]1C ZINC000423395776 405789159 /nfs/dbraw/zinc/78/91/59/405789159.db2.gz RYGOORBYHJVBEF-JDFRZJQESA-N 1 3 302.418 2.357 20 0 DEADHO C[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccsc1 ZINC000423397965 405790943 /nfs/dbraw/zinc/79/09/43/405790943.db2.gz VGNNHLCKSUSYJN-PWSUYJOCSA-N 1 3 307.385 2.235 20 0 DEADHO O[C@H]1CCN(Cc2ccccc2C[NH2+]CC2CCSCC2)C1 ZINC000638976766 405792907 /nfs/dbraw/zinc/79/29/07/405792907.db2.gz LFDNKJWMSRNTCR-SFHVURJKSA-N 1 3 320.502 2.486 20 0 DEADHO CCN1C[C@@H](C)[C@@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000423478557 405819135 /nfs/dbraw/zinc/81/91/35/405819135.db2.gz TXJMPCUHDTVJFP-HYEGPXJVSA-N 1 3 319.468 2.449 20 0 DEADHO CCC[NH+]1CCC(N(C)C(=O)C2CCN(C3CC3)CC2)CC1 ZINC000495115547 405819504 /nfs/dbraw/zinc/81/95/04/405819504.db2.gz FPILCTZYFJCVCI-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CNCCCO2)C1 ZINC000423492527 405824337 /nfs/dbraw/zinc/82/43/37/405824337.db2.gz NJMMSWNZPFKLKD-IXDOHACOSA-N 1 3 303.450 2.384 20 0 DEADHO Cc1cccnc1[C@@H]1CCC[C@H](NC[C@H]2C[NH2+]CCCO2)C1 ZINC000423492527 405824346 /nfs/dbraw/zinc/82/43/46/405824346.db2.gz NJMMSWNZPFKLKD-IXDOHACOSA-N 1 3 303.450 2.384 20 0 DEADHO COCCOc1ccc([C@H](C)NCC2=CC[NH2+]CC2)cc1OC ZINC000423337234 405766988 /nfs/dbraw/zinc/76/69/88/405766988.db2.gz HNDGCHPBTMQDHA-AWEZNQCLSA-N 1 3 320.433 2.291 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000433139169 405877221 /nfs/dbraw/zinc/87/72/21/405877221.db2.gz WAOWCOOVHFSOPX-UONOGXRCSA-N 1 3 309.479 2.232 20 0 DEADHO CCN(Cc1ccc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)cc1)C1CC1 ZINC000423636922 405886314 /nfs/dbraw/zinc/88/63/14/405886314.db2.gz BRRADQYITIHPBS-DYVFJYSZSA-N 1 3 301.434 2.233 20 0 DEADHO C[C@@H](CC(=O)NCc1ccc(CN(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000423733379 405934311 /nfs/dbraw/zinc/93/43/11/405934311.db2.gz PVHLHJGJYKPYRV-YJBOKZPZSA-N 1 3 317.477 2.390 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@H](C[NH3+])C(C)C ZINC000423737711 405938216 /nfs/dbraw/zinc/93/82/16/405938216.db2.gz FNFKJPYCHKUWQT-QGZVFWFLSA-N 1 3 305.466 2.328 20 0 DEADHO CN1CCC(N2CC[C@H]([N@H+](C)CC3CCSCC3)C2)CC1 ZINC000639171846 405943907 /nfs/dbraw/zinc/94/39/07/405943907.db2.gz DSOLGUPLRAWSNN-KRWDZBQOSA-N 1 3 311.539 2.230 20 0 DEADHO CN1CCC(N2CC[C@H]([N@@H+](C)CC3CCSCC3)C2)CC1 ZINC000639171846 405943908 /nfs/dbraw/zinc/94/39/08/405943908.db2.gz DSOLGUPLRAWSNN-KRWDZBQOSA-N 1 3 311.539 2.230 20 0 DEADHO CCCOc1cccc(C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000531357260 405947436 /nfs/dbraw/zinc/94/74/36/405947436.db2.gz MDBAQRLYKABLOW-UHFFFAOYSA-N 1 3 321.465 2.041 20 0 DEADHO CC(C)[NH2+]CCCNC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000561208525 405907036 /nfs/dbraw/zinc/90/70/36/405907036.db2.gz KVGSIMYJACVIBW-MRXNPFEDSA-N 1 3 320.481 2.194 20 0 DEADHO CC(C)[NH2+]CCCNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000561208732 405907126 /nfs/dbraw/zinc/90/71/26/405907126.db2.gz KINSNYAXAVZJBO-INIZCTEOSA-N 1 3 320.481 2.194 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423712379 405922362 /nfs/dbraw/zinc/92/23/62/405922362.db2.gz ODJFTVUHXWWVSJ-BZSNNMDCSA-N 1 3 315.461 2.107 20 0 DEADHO O=C(C[C@@H]1CCC[NH2+]CC1)N1CCN(C2CCCCC2)CC1 ZINC000423712759 405923751 /nfs/dbraw/zinc/92/37/51/405923751.db2.gz OSNLRKBKGDAZKF-MRXNPFEDSA-N 1 3 307.482 2.243 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633944102 405924326 /nfs/dbraw/zinc/92/43/26/405924326.db2.gz LOVWCJKOCUUMKL-HZPDHXFCSA-N 1 3 307.482 2.336 20 0 DEADHO COc1ccc([C@@H](CO)CNC2CC[NH+](C(C)C)CC2)cc1 ZINC000459756399 406034153 /nfs/dbraw/zinc/03/41/53/406034153.db2.gz RAWDIUJRNAZULR-MRXNPFEDSA-N 1 3 306.450 2.234 20 0 DEADHO CC[N@@H+]1CC[C@H](NC[C@H](CO)c2ccc(OC)cc2)[C@H](C)C1 ZINC000459759708 406034984 /nfs/dbraw/zinc/03/49/84/406034984.db2.gz TXAFEEOGMMCEBH-KYJSFNMBSA-N 1 3 306.450 2.091 20 0 DEADHO CC[N@H+]1CC[C@H](NC[C@H](CO)c2ccc(OC)cc2)[C@H](C)C1 ZINC000459759708 406034990 /nfs/dbraw/zinc/03/49/90/406034990.db2.gz TXAFEEOGMMCEBH-KYJSFNMBSA-N 1 3 306.450 2.091 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H]1CN1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000450822137 405983919 /nfs/dbraw/zinc/98/39/19/405983919.db2.gz SGISCDUUYIMXQF-IRXDYDNUSA-N 1 3 311.514 2.026 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H]1CN1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000450822137 405983927 /nfs/dbraw/zinc/98/39/27/405983927.db2.gz SGISCDUUYIMXQF-IRXDYDNUSA-N 1 3 311.514 2.026 20 0 DEADHO C[C@@H](NC(=O)NC[C@@H]1CCCCN1C1CC1)C(C)(C)C[NH+](C)C ZINC000433906438 405996679 /nfs/dbraw/zinc/99/66/79/405996679.db2.gz FSSISBZKAFNBLM-ZBFHGGJFSA-N 1 3 324.513 2.279 20 0 DEADHO Cc1cc(C[N@@H+]2CCC[C@@H](n3cc(CN)nn3)C2)c(C)s1 ZINC000516162896 406087972 /nfs/dbraw/zinc/08/79/72/406087972.db2.gz XBWWBRPTGJRUDY-OAHLLOKOSA-N 1 3 305.451 2.252 20 0 DEADHO Cc1cc(C[N@H+]2CCC[C@@H](n3cc(CN)nn3)C2)c(C)s1 ZINC000516162896 406087976 /nfs/dbraw/zinc/08/79/76/406087976.db2.gz XBWWBRPTGJRUDY-OAHLLOKOSA-N 1 3 305.451 2.252 20 0 DEADHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000459775334 406041371 /nfs/dbraw/zinc/04/13/71/406041371.db2.gz JKQUYZWJVABWJY-LSDHHAIUSA-N 1 3 324.490 2.473 20 0 DEADHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000459775334 406041377 /nfs/dbraw/zinc/04/13/77/406041377.db2.gz JKQUYZWJVABWJY-LSDHHAIUSA-N 1 3 324.490 2.473 20 0 DEADHO COCC[N@H+](C)CCCC1CCN(CCc2cnccn2)CC1 ZINC000639555888 406143880 /nfs/dbraw/zinc/14/38/80/406143880.db2.gz UVLIPZQUNMRZSH-UHFFFAOYSA-N 1 3 320.481 2.090 20 0 DEADHO COCC[N@@H+](C)CCCC1CCN(CCc2cnccn2)CC1 ZINC000639555888 406143887 /nfs/dbraw/zinc/14/38/87/406143887.db2.gz UVLIPZQUNMRZSH-UHFFFAOYSA-N 1 3 320.481 2.090 20 0 DEADHO CC(C)(N)C[N@@H+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000568087616 406191387 /nfs/dbraw/zinc/19/13/87/406191387.db2.gz MNBVWFPRUCQKDG-HNNXBMFYSA-N 1 3 321.440 2.281 20 0 DEADHO CC(C)(N)C[N@H+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000568087616 406191392 /nfs/dbraw/zinc/19/13/92/406191392.db2.gz MNBVWFPRUCQKDG-HNNXBMFYSA-N 1 3 321.440 2.281 20 0 DEADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]Cc2cc(Cl)cs2)C1 ZINC000487304852 406222734 /nfs/dbraw/zinc/22/27/34/406222734.db2.gz AYZYFALVONYZLV-LLVKDONJSA-N 1 3 315.870 2.079 20 0 DEADHO CC(C)[NH+]1CCC(NCCn2ccc(C(F)(F)F)n2)CC1 ZINC000634687532 406225721 /nfs/dbraw/zinc/22/57/21/406225721.db2.gz OMNFMMOEURRWHO-UHFFFAOYSA-N 1 3 304.360 2.364 20 0 DEADHO COc1ccccc1OCCN1CCC2(C1)CC[NH+](C)CC2 ZINC000639755852 406237097 /nfs/dbraw/zinc/23/70/97/406237097.db2.gz OUDBXDKQTHCJKE-UHFFFAOYSA-N 1 3 304.434 2.492 20 0 DEADHO CCN(C(=O)CN1CCC2(C1)CC[NH+](C)CC2)c1ccccc1 ZINC000639759877 406240229 /nfs/dbraw/zinc/24/02/29/406240229.db2.gz MSIFKQGTYBMFEO-UHFFFAOYSA-N 1 3 315.461 2.457 20 0 DEADHO CN(C)C[C@H]1COC2(CCCC2)CN1CC[C@H]1CCC[N@@H+]1C ZINC000639877194 406295405 /nfs/dbraw/zinc/29/54/05/406295405.db2.gz JDGNOYQLUWEKGO-SJORKVTESA-N 1 3 309.498 2.046 20 0 DEADHO CN(C)C[C@H]1COC2(CCCC2)CN1CC[C@H]1CCC[N@H+]1C ZINC000639877194 406295409 /nfs/dbraw/zinc/29/54/09/406295409.db2.gz JDGNOYQLUWEKGO-SJORKVTESA-N 1 3 309.498 2.046 20 0 DEADHO C[NH+](C)C1(CNC(=O)N2CCCN(C(C)(C)C)CC2)CCCC1 ZINC000520202362 406272805 /nfs/dbraw/zinc/27/28/05/406272805.db2.gz WKTUDMPHNONHGJ-UHFFFAOYSA-N 1 3 324.513 2.377 20 0 DEADHO N[C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000569702885 406292239 /nfs/dbraw/zinc/29/22/39/406292239.db2.gz MMLSOZJASFFTAU-QRVBRYPASA-N 1 3 317.477 2.137 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@H](C2CC2)N2CCCC2)CC1 ZINC000545395473 406318411 /nfs/dbraw/zinc/31/84/11/406318411.db2.gz IVHWPWUWOOSNAT-SFHVURJKSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H](C2CC2)N2CCCC2)CC1 ZINC000545395473 406318418 /nfs/dbraw/zinc/31/84/18/406318418.db2.gz IVHWPWUWOOSNAT-SFHVURJKSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCN2C2CCCC2)CC[N@@H+]1C ZINC000637474857 406321762 /nfs/dbraw/zinc/32/17/62/406321762.db2.gz JPIIZUBRXQTJAV-HYVNUMGLSA-N 1 3 322.497 2.127 20 0 DEADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCN2C2CCCC2)CC[N@H+]1C ZINC000637474857 406321766 /nfs/dbraw/zinc/32/17/66/406321766.db2.gz JPIIZUBRXQTJAV-HYVNUMGLSA-N 1 3 322.497 2.127 20 0 DEADHO [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)c2ccc3c(c2)CNC3)C1 ZINC000632869043 406299880 /nfs/dbraw/zinc/29/98/80/406299880.db2.gz MJJJFLLGPIPVPH-ZDUSSCGKSA-N 1 3 307.397 2.068 20 0 DEADHO COCC[C@@H]1CCC[C@@H]1Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635010719 406398093 /nfs/dbraw/zinc/39/80/93/406398093.db2.gz VDNJRMWYAIEBIM-HOCLYGCPSA-N 1 3 304.438 2.108 20 0 DEADHO C[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)C1CCSCC1 ZINC000635011411 406399808 /nfs/dbraw/zinc/39/98/08/406399808.db2.gz ZTCCMKGLZNZLGI-CYBMUJFWSA-N 1 3 306.479 2.435 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000523218654 406419340 /nfs/dbraw/zinc/41/93/40/406419340.db2.gz RENAIKHLXSNMRM-SJORKVTESA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000523218654 406419345 /nfs/dbraw/zinc/41/93/45/406419345.db2.gz RENAIKHLXSNMRM-SJORKVTESA-N 1 3 324.513 2.136 20 0 DEADHO CC[C@]1(O)CCCN(CC(C)C[N@@H+]2CCC[C@@](O)(CC)C2)C1 ZINC000640033275 406366319 /nfs/dbraw/zinc/36/63/19/406366319.db2.gz LHCNLWZRPCTGRZ-ROUUACIJSA-N 1 3 312.498 2.096 20 0 DEADHO CC[C@]1(O)CCCN(CC(C)C[N@H+]2CCC[C@@](O)(CC)C2)C1 ZINC000640033275 406366325 /nfs/dbraw/zinc/36/63/25/406366325.db2.gz LHCNLWZRPCTGRZ-ROUUACIJSA-N 1 3 312.498 2.096 20 0 DEADHO N[C@H]1CCC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)C1 ZINC000570294370 406374756 /nfs/dbraw/zinc/37/47/56/406374756.db2.gz RFSFHONLMZXAKH-ZFWWWQNUSA-N 1 3 319.424 2.290 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000525306529 406485272 /nfs/dbraw/zinc/48/52/72/406485272.db2.gz MCMLYQDTGHTWJZ-IXDOHACOSA-N 1 3 324.513 2.090 20 0 DEADHO CC[C@@H](CNC(=O)CC[NH2+]C1CC1)N1CCc2ccccc2C1 ZINC000570816212 406443278 /nfs/dbraw/zinc/44/32/78/406443278.db2.gz MHCITNYGPUECPD-SFHVURJKSA-N 1 3 315.461 2.082 20 0 DEADHO CN(C)CCn1nccc1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000571713236 406556632 /nfs/dbraw/zinc/55/66/32/406556632.db2.gz LKZUGULOFXYGLL-UHFFFAOYSA-N 1 3 321.469 2.038 20 0 DEADHO CN(C)CCn1nccc1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000571713236 406556633 /nfs/dbraw/zinc/55/66/33/406556633.db2.gz LKZUGULOFXYGLL-UHFFFAOYSA-N 1 3 321.469 2.038 20 0 DEADHO CC1(C)C[NH2+][C@@H]1C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000645787188 406628307 /nfs/dbraw/zinc/62/83/07/406628307.db2.gz ZQZXHIQUTLDCMM-IAGOWNOFSA-N 1 3 315.461 2.155 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CCN[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000572466657 406673012 /nfs/dbraw/zinc/67/30/12/406673012.db2.gz QGFDDGQZJNITRF-FGTMMUONSA-N 1 3 309.498 2.094 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CCN[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000572466657 406673019 /nfs/dbraw/zinc/67/30/19/406673019.db2.gz QGFDDGQZJNITRF-FGTMMUONSA-N 1 3 309.498 2.094 20 0 DEADHO COc1ccc(C)cc1C[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000638326228 406700735 /nfs/dbraw/zinc/70/07/35/406700735.db2.gz PBHCPALCZUELFY-UHFFFAOYSA-N 1 3 306.450 2.329 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000553221283 406743276 /nfs/dbraw/zinc/74/32/76/406743276.db2.gz SGICMNHNPAGHBE-QGZVFWFLSA-N 1 3 303.450 2.005 20 0 DEADHO CC[NH+]1CCC(NC(=O)NC[C@@H]2CCN2C2CCCCC2)CC1 ZINC000527795928 406752807 /nfs/dbraw/zinc/75/28/07/406752807.db2.gz RTQWBLFUKQZXQH-KRWDZBQOSA-N 1 3 322.497 2.177 20 0 DEADHO CCN1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000527795928 406752813 /nfs/dbraw/zinc/75/28/13/406752813.db2.gz RTQWBLFUKQZXQH-KRWDZBQOSA-N 1 3 322.497 2.177 20 0 DEADHO CCN1CCC(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527795928 406752816 /nfs/dbraw/zinc/75/28/16/406752816.db2.gz RTQWBLFUKQZXQH-KRWDZBQOSA-N 1 3 322.497 2.177 20 0 DEADHO CC[NH+](CC)Cc1ccc(CNC(=O)/C=C\CN(C)C)cc1 ZINC000491888182 406764449 /nfs/dbraw/zinc/76/44/49/406764449.db2.gz BMGHWJKICVSWII-FPLPWBNLSA-N 1 3 303.450 2.262 20 0 DEADHO C[C@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)[C@H]1CC12CC2 ZINC000527857091 406772883 /nfs/dbraw/zinc/77/28/83/406772883.db2.gz BRDMSWJGXAHFLS-WMLDXEAASA-N 1 3 315.461 2.256 20 0 DEADHO CN1CCC[C@H](CNC(=O)[C@H]2[NH2+]CC2(C)C)[C@@H]1c1cccs1 ZINC000646071476 406768815 /nfs/dbraw/zinc/76/88/15/406768815.db2.gz PLTBRBDAMOYTKP-BPLDGKMQSA-N 1 3 321.490 2.245 20 0 DEADHO CCC(CC)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001422926382 1172944565 /nfs/dbraw/zinc/94/45/65/1172944565.db2.gz FAGSLJYUXHEFBH-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CCC(CC)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001422926382 1172944576 /nfs/dbraw/zinc/94/45/76/1172944576.db2.gz FAGSLJYUXHEFBH-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H](C[C@H]1CCCCCN1)[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000569349976 292407830 /nfs/dbraw/zinc/40/78/30/292407830.db2.gz KYEYSWNBKRLJPS-JWMHWRSXSA-N 1 3 316.511 2.243 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000646213734 406818588 /nfs/dbraw/zinc/81/85/88/406818588.db2.gz TXKMHJHJNHXMLF-ZOBUZTSGSA-N 1 3 318.465 2.028 20 0 DEADHO C[C@@H](C(=O)N1CCC2(C1)CC[NH+](C)CC2)N1[C@H](C)CC[C@H]1C ZINC000646250218 406825976 /nfs/dbraw/zinc/82/59/76/406825976.db2.gz JEAZIFZDXZVGKU-OAGGEKHMSA-N 1 3 307.482 2.192 20 0 DEADHO CC[C@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)CC[C@@H]1[NH3+] ZINC000647009522 406940149 /nfs/dbraw/zinc/94/01/49/406940149.db2.gz FETPZSPSHJKAFT-WMZOPIPTSA-N 1 3 315.461 2.482 20 0 DEADHO COc1ccc([C@@H](CNC(=O)CCCC[NH3+])N2CCCC2)cc1 ZINC000569452609 292415153 /nfs/dbraw/zinc/41/51/53/292415153.db2.gz WUCIVLABUBHHBG-QGZVFWFLSA-N 1 3 319.449 2.077 20 0 DEADHO C[NH2+]CCC1CCN(Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000647509993 407010149 /nfs/dbraw/zinc/01/01/49/407010149.db2.gz VSSAIJWFGRRTPZ-UHFFFAOYSA-N 1 3 317.412 2.228 20 0 DEADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1ccccc1C1CC1 ZINC000647539545 407016152 /nfs/dbraw/zinc/01/61/52/407016152.db2.gz NPBIIPCXEXEREC-QGZVFWFLSA-N 1 3 315.461 2.384 20 0 DEADHO COCCCn1nccc1CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543793 407017678 /nfs/dbraw/zinc/01/76/78/407017678.db2.gz SAYREQBPNCJKDY-DLBZAZTESA-N 1 3 320.481 2.131 20 0 DEADHO Fc1ccc(-c2nnc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)[n-]2)cc1 ZINC000647791280 407051345 /nfs/dbraw/zinc/05/13/45/407051345.db2.gz BKLDQBAKPYTFAF-KCQAQPDRSA-N 1 3 315.396 2.089 20 0 DEADHO COc1ccc([C@H](CC(C)C)NC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000647300023 406984167 /nfs/dbraw/zinc/98/41/67/406984167.db2.gz OWOYRNSNVMAERA-ROUUACIJSA-N 1 3 306.450 2.439 20 0 DEADHO COc1ccc([C@H](CC(C)C)NC[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000647300023 406984169 /nfs/dbraw/zinc/98/41/69/406984169.db2.gz OWOYRNSNVMAERA-ROUUACIJSA-N 1 3 306.450 2.439 20 0 DEADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCCCc3ncn(C)n3)CC2)C1 ZINC000647325727 406986101 /nfs/dbraw/zinc/98/61/01/406986101.db2.gz NXKAUWUKHSOZOO-DOTOQJQBSA-N 1 3 319.497 2.380 20 0 DEADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]CCCc3ncn(C)n3)CC2)C1 ZINC000647325727 406986105 /nfs/dbraw/zinc/98/61/05/406986105.db2.gz NXKAUWUKHSOZOO-DOTOQJQBSA-N 1 3 319.497 2.380 20 0 DEADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCCCc3ncn(C)n3)CC2)C1 ZINC000647325729 406986293 /nfs/dbraw/zinc/98/62/93/406986293.db2.gz NXKAUWUKHSOZOO-RDJZCZTQSA-N 1 3 319.497 2.380 20 0 DEADHO C[C@H]1CCC[C@H](N2CCC([NH2+]CCCc3ncn(C)n3)CC2)C1 ZINC000647325729 406986296 /nfs/dbraw/zinc/98/62/96/406986296.db2.gz NXKAUWUKHSOZOO-RDJZCZTQSA-N 1 3 319.497 2.380 20 0 DEADHO CCOc1ccc2c(c1)[C@@H](N[C@H](CCC[NH3+])COC)CCO2 ZINC000643482533 407005353 /nfs/dbraw/zinc/00/53/53/407005353.db2.gz ZKYYNZYHPSWVCK-CJNGLKHVSA-N 1 3 308.422 2.252 20 0 DEADHO CC(C)CCNC(=O)[C@H](C)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976396 407091873 /nfs/dbraw/zinc/09/18/73/407091873.db2.gz NSPALAHUNRQHQY-ULQDDVLXSA-N 1 3 309.498 2.249 20 0 DEADHO C[C@@H]1C[C@@H](CCNC(=O)CNC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000644156697 407097686 /nfs/dbraw/zinc/09/76/86/407097686.db2.gz LOALCLWBHUGYAH-NVXWUHKLSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H]1C[C@@H](CCNC(=O)CNC2CC2)C[N@H+]1Cc1ccccc1 ZINC000644156697 407097690 /nfs/dbraw/zinc/09/76/90/407097690.db2.gz LOALCLWBHUGYAH-NVXWUHKLSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC[C@H]1CSc2ccccc2O1 ZINC000647800758 407053453 /nfs/dbraw/zinc/05/34/53/407053453.db2.gz KGVORFSIWHRCCK-AJNGGQMLSA-N 1 3 322.474 2.272 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC[C@H]1CSc2ccccc2O1 ZINC000647800758 407053455 /nfs/dbraw/zinc/05/34/55/407053455.db2.gz KGVORFSIWHRCCK-AJNGGQMLSA-N 1 3 322.474 2.272 20 0 DEADHO C[C@@H]1CN(CCCCNc2[nH+]ccc3[nH]ccc32)C[C@H](C)O1 ZINC000647871895 407065509 /nfs/dbraw/zinc/06/55/09/407065509.db2.gz RERFHSSIXKXCQZ-OKILXGFUSA-N 1 3 302.422 2.286 20 0 DEADHO COc1cccc(CN(C[C@@H]2CC[NH2+]C2)C2CCC(O)CC2)c1 ZINC000647883984 407067293 /nfs/dbraw/zinc/06/72/93/407067293.db2.gz QXPNKIBFZXUYDV-WWDZGPRUSA-N 1 3 318.461 2.410 20 0 DEADHO CC[C@@H]1CN(CCC(=O)Nc2cc(F)cc(F)c2)CC[C@H]1[NH3+] ZINC000647936381 407079678 /nfs/dbraw/zinc/07/96/78/407079678.db2.gz CJWWYVIIBAPMJC-IAQYHMDHSA-N 1 3 311.376 2.353 20 0 DEADHO CN1CC[C@@]2(CC[N@H+](Cc3ccc(C(=O)NC4CC4)cc3)C2)C1 ZINC000644843144 407205177 /nfs/dbraw/zinc/20/51/77/407205177.db2.gz SAICFLWZKAXYCL-LJQANCHMSA-N 1 3 313.445 2.106 20 0 DEADHO CN1CC[C@@]2(CC[N@@H+](Cc3ccc(C(=O)NC4CC4)cc3)C2)C1 ZINC000644843144 407205180 /nfs/dbraw/zinc/20/51/80/407205180.db2.gz SAICFLWZKAXYCL-LJQANCHMSA-N 1 3 313.445 2.106 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000167390217 286804676 /nfs/dbraw/zinc/80/46/76/286804676.db2.gz QQTUUILIGGMBPE-ZACQAIPSSA-N 1 3 309.498 2.474 20 0 DEADHO Cc1c([C@@H](C)NCC[C@@H]2CC[NH2+]C2)nnn1-c1ccc(F)cc1 ZINC000569918894 292451713 /nfs/dbraw/zinc/45/17/13/292451713.db2.gz VBPFBWIYTNZTQN-OCCSQVGLSA-N 1 3 317.412 2.365 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000417706890 287011783 /nfs/dbraw/zinc/01/17/83/287011783.db2.gz UMOWFDOVFURUCA-HRCADAONSA-N 1 3 310.486 2.068 20 0 DEADHO C[C@@H]([NH2+]C1CC1)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000294909707 287011322 /nfs/dbraw/zinc/01/13/22/287011322.db2.gz CAAOQKPOIQHCDG-QAPCUYQASA-N 1 3 315.461 2.298 20 0 DEADHO CC(C)[C@H](CNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)[NH+]1CCCC1 ZINC000129001925 196010298 /nfs/dbraw/zinc/01/02/98/196010298.db2.gz WCZKRRJOOOPDRT-INMHGKMJSA-N 1 3 322.497 2.031 20 0 DEADHO CC[C@H](CN[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC000130593016 196094425 /nfs/dbraw/zinc/09/44/25/196094425.db2.gz FGOBZPFPPPLYJF-HUUCEWRRSA-N 1 3 311.470 2.460 20 0 DEADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCOc1ccc(Br)cc1 ZINC000131664936 196188800 /nfs/dbraw/zinc/18/88/00/196188800.db2.gz KEIKUMYBHAUBMU-NEPJUHHUSA-N 1 3 313.239 2.497 20 0 DEADHO CN1CCC(CC(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000291529249 222447593 /nfs/dbraw/zinc/44/75/93/222447593.db2.gz NEDGMHSYWWBCMV-UHFFFAOYSA-N 1 3 303.450 2.461 20 0 DEADHO COc1cc(OC)c(OC)cc1CNCC1(C)CC[NH2+]CC1 ZINC000414904619 228586421 /nfs/dbraw/zinc/58/64/21/228586421.db2.gz NCCIHIYIAXLIGU-UHFFFAOYSA-N 1 3 308.422 2.192 20 0 DEADHO C[C@H](CC[NH3+])NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000417674783 229066875 /nfs/dbraw/zinc/06/68/75/229066875.db2.gz AYPGSYDWAMMQEV-CABCVRRESA-N 1 3 318.465 2.249 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000417883487 229134657 /nfs/dbraw/zinc/13/46/57/229134657.db2.gz WNXSEEMZKJRGDL-INMHGKMJSA-N 1 3 318.465 2.076 20 0 DEADHO CN(C)C1(CNC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CCC1 ZINC000418054079 229204027 /nfs/dbraw/zinc/20/40/27/229204027.db2.gz DRNAKKUGTWOCTC-HZPDHXFCSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@H]([NH3+])CCNC(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000418246478 229284431 /nfs/dbraw/zinc/28/44/31/229284431.db2.gz QAGIGVNONPGILL-HNNXBMFYSA-N 1 3 318.465 2.078 20 0 DEADHO C[C@@H](CC[NH3+])NC(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000418514563 229373061 /nfs/dbraw/zinc/37/30/61/229373061.db2.gz ASYPLTNVVCWSGM-AWEZNQCLSA-N 1 3 312.502 2.266 20 0 DEADHO CN(C)[C@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000422128524 230077625 /nfs/dbraw/zinc/07/76/25/230077625.db2.gz FNSMEHQRTVMKOI-IAGOWNOFSA-N 1 3 318.465 2.025 20 0 DEADHO CN(C)[C@H](CNC(=O)N(C)C[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000422128524 230077627 /nfs/dbraw/zinc/07/76/27/230077627.db2.gz FNSMEHQRTVMKOI-IAGOWNOFSA-N 1 3 318.465 2.025 20 0 DEADHO C[C@@H]1C[C@H](C)N(CCC(=O)Nc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000422632003 230159769 /nfs/dbraw/zinc/15/97/69/230159769.db2.gz GFIALQFLOLLOEZ-HZSPNIEDSA-N 1 3 307.413 2.460 20 0 DEADHO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccc(F)cc2)C[C@H]1CN ZINC000422632003 230159774 /nfs/dbraw/zinc/15/97/74/230159774.db2.gz GFIALQFLOLLOEZ-HZSPNIEDSA-N 1 3 307.413 2.460 20 0 DEADHO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccc(F)cc2)C[C@H]1CN ZINC000422632003 230159777 /nfs/dbraw/zinc/15/97/77/230159777.db2.gz GFIALQFLOLLOEZ-HZSPNIEDSA-N 1 3 307.413 2.460 20 0 DEADHO Cc1ccc([C@H](CN[C@H](C)C[C@@H](C)[NH3+])N2CCOCC2)cc1 ZINC000422709582 230172165 /nfs/dbraw/zinc/17/21/65/230172165.db2.gz KSVYIYWMZRYLAN-NUJGCVRESA-N 1 3 305.466 2.084 20 0 DEADHO Cc1nc(CN2CCC(CN[C@H](C)[C@H]3CCC[NH2+]3)CC2)oc1C ZINC000422716895 230174657 /nfs/dbraw/zinc/17/46/57/230174657.db2.gz UVCNXQUPKUMVSF-RHSMWYFYSA-N 1 3 320.481 2.234 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(CN2CCCC2=O)cc1 ZINC000422722500 230176108 /nfs/dbraw/zinc/17/61/08/230176108.db2.gz YCYYQZXUSKKVRJ-QZTJIDSGSA-N 1 3 315.461 2.416 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(OC(F)F)cc1 ZINC000422758918 230191561 /nfs/dbraw/zinc/19/15/61/230191561.db2.gz JQVAYMPGSDCKHC-BPNCWPANSA-N 1 3 300.349 2.130 20 0 DEADHO Cc1cccc(N2CCC([NH2+][C@H](C)[C@H]3CCCCN3)CC2)n1 ZINC000422769240 230199500 /nfs/dbraw/zinc/19/95/00/230199500.db2.gz VJYKHGBBDZCTCD-NVXWUHKLSA-N 1 3 302.466 2.479 20 0 DEADHO Cc1cccc(N2CCC(N[C@H](C)[C@H]3CCCC[NH2+]3)CC2)n1 ZINC000422769240 230199507 /nfs/dbraw/zinc/19/95/07/230199507.db2.gz VJYKHGBBDZCTCD-NVXWUHKLSA-N 1 3 302.466 2.479 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)[C@H]1C ZINC001088898180 782028233 /nfs/dbraw/zinc/02/82/33/782028233.db2.gz SBAXUHLSLKNODJ-IKGGRYGDSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)[C@H]1C ZINC001088898180 782028240 /nfs/dbraw/zinc/02/82/40/782028240.db2.gz SBAXUHLSLKNODJ-IKGGRYGDSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H](NCc1ccccc1OCC[NH+](C)C)c1cnccc1N ZINC000422817886 230223888 /nfs/dbraw/zinc/22/38/88/230223888.db2.gz FDSVXKAWERTMLR-AWEZNQCLSA-N 1 3 314.433 2.285 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000422839595 230236831 /nfs/dbraw/zinc/23/68/31/230236831.db2.gz QUNOCGPHQLPJOK-CSFVBSKPSA-N 1 3 323.868 2.261 20 0 DEADHO Cc1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])c(N2CCOCC2)c1 ZINC000422870301 230252994 /nfs/dbraw/zinc/25/29/94/230252994.db2.gz XOZNAXGMSLXCKP-NVXWUHKLSA-N 1 3 303.450 2.049 20 0 DEADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422928207 230280142 /nfs/dbraw/zinc/28/01/42/230280142.db2.gz JNGZTLWZIHTOHN-GXTWGEPZSA-N 1 3 310.825 2.371 20 0 DEADHO Cc1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])c(-n2cc(Cl)cn2)n1 ZINC000423075515 230339837 /nfs/dbraw/zinc/33/98/37/230339837.db2.gz XFOHBEVDNUVQJO-IUODEOHRSA-N 1 3 319.840 2.446 20 0 DEADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(N2CCOCC2)c1 ZINC000423138999 230361628 /nfs/dbraw/zinc/36/16/28/230361628.db2.gz UTXSIFQYLDFEBP-ROUUACIJSA-N 1 3 303.450 2.273 20 0 DEADHO CCCN(C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)[C@@H]1CCN(C)C1 ZINC000637470209 424853244 /nfs/dbraw/zinc/85/32/44/424853244.db2.gz KGBJUIZXGNEGGK-DLBZAZTESA-N 1 3 322.497 2.129 20 0 DEADHO CCCN(C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)[C@@H]1CCN(C)C1 ZINC000637470209 424853245 /nfs/dbraw/zinc/85/32/45/424853245.db2.gz KGBJUIZXGNEGGK-DLBZAZTESA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193698571 424870160 /nfs/dbraw/zinc/87/01/60/424870160.db2.gz WNTWNBFPNSUCHM-HNNXBMFYSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H]1[C@@H](O)CCN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648763561 424902545 /nfs/dbraw/zinc/90/25/45/424902545.db2.gz GWXRHMYACJJKFV-QAPCUYQASA-N 1 3 304.434 2.116 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1)N1CCCCC1 ZINC000649370733 425003483 /nfs/dbraw/zinc/00/34/83/425003483.db2.gz WKLGPVZAEGSQOU-CVEARBPZSA-N 1 3 307.482 2.288 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2NCC2(C)C)CC1 ZINC000649378648 425005273 /nfs/dbraw/zinc/00/52/73/425005273.db2.gz QMSLYOPPIVSUBV-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2NCC2(C)C)CC1 ZINC000649378648 425005275 /nfs/dbraw/zinc/00/52/75/425005275.db2.gz QMSLYOPPIVSUBV-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO CN1CCC[C@H]([NH2+]C[C@@H](O)CN2CCCC2)c2ccccc21 ZINC000650198543 424962899 /nfs/dbraw/zinc/96/28/99/424962899.db2.gz PPDNAPUSEOHGTA-WBVHZDCISA-N 1 3 303.450 2.004 20 0 DEADHO CC1(C)C[NH2+][C@H]1C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000649293729 424986688 /nfs/dbraw/zinc/98/66/88/424986688.db2.gz GUEHPRMGTJIKCW-IRXDYDNUSA-N 1 3 315.461 2.328 20 0 DEADHO O=C(NCCCCC[NH+]1CCCCC1)[C@H]1CNCCC1(F)F ZINC000649332170 424995552 /nfs/dbraw/zinc/99/55/52/424995552.db2.gz AMCNTVNLKYTCBI-CQSZACIVSA-N 1 3 317.424 2.004 20 0 DEADHO CC[C@]1(C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649342572 424996072 /nfs/dbraw/zinc/99/60/72/424996072.db2.gz ADUSOPGAXNRQMM-IEBWSBKVSA-N 1 3 315.461 2.252 20 0 DEADHO C[C@H]1CC2(CN1Cc1nc(-c3ccccn3)no1)CC[NH2+]CC2 ZINC000649420904 425014918 /nfs/dbraw/zinc/01/49/18/425014918.db2.gz GOROJVPUBHPSEO-ZDUSSCGKSA-N 1 3 313.405 2.096 20 0 DEADHO COc1cc(C)nc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650723734 425042105 /nfs/dbraw/zinc/04/21/05/425042105.db2.gz SNLPHHFPNAVUDV-OLMNPRSZSA-N 1 3 319.449 2.259 20 0 DEADHO CC[N@H+](CCC1CCN(C[C@@H]2CCC(=O)N2)CC1)CC1CC1 ZINC000649573006 425045052 /nfs/dbraw/zinc/04/50/52/425045052.db2.gz PPPSEFDYJNMYJX-KRWDZBQOSA-N 1 3 307.482 2.099 20 0 DEADHO CC[N@@H+](CCC1CCN(C[C@@H]2CCC(=O)N2)CC1)CC1CC1 ZINC000649573006 425045056 /nfs/dbraw/zinc/04/50/56/425045056.db2.gz PPPSEFDYJNMYJX-KRWDZBQOSA-N 1 3 307.482 2.099 20 0 DEADHO CCO[C@@H]1C[C@@H](NCc2ccc(C[NH3+])cc2F)C12CCOCC2 ZINC000650754530 425048033 /nfs/dbraw/zinc/04/80/33/425048033.db2.gz LCRDOOBGXXZIHM-IAGOWNOFSA-N 1 3 322.424 2.348 20 0 DEADHO Cc1csc(N2CCN(CC[C@@H]3CCC[NH2+]C3)C[C@@H]2C)n1 ZINC000649412431 425013558 /nfs/dbraw/zinc/01/35/58/425013558.db2.gz KXVQHBASHZGCJV-GJZGRUSLSA-N 1 3 308.495 2.352 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000666761321 425177108 /nfs/dbraw/zinc/17/71/08/425177108.db2.gz VVULNVWWMHSTAM-SJORKVTESA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000666761321 425177111 /nfs/dbraw/zinc/17/71/11/425177111.db2.gz VVULNVWWMHSTAM-SJORKVTESA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCCc3c2ccc(=O)n3C)[C@H](C)C1 ZINC000652074498 425177975 /nfs/dbraw/zinc/17/79/75/425177975.db2.gz LRGLHMKDQQTGKW-VNQPRFMTSA-N 1 3 303.450 2.083 20 0 DEADHO CC[N@H+]1CC[C@H](N[C@@H]2CCCc3c2ccc(=O)n3C)[C@H](C)C1 ZINC000652074498 425177979 /nfs/dbraw/zinc/17/79/79/425177979.db2.gz LRGLHMKDQQTGKW-VNQPRFMTSA-N 1 3 303.450 2.083 20 0 DEADHO CC[C@H]1CN(CCn2cccn2)CCN1c1[nH+]ccc2[nH]ccc21 ZINC000663563096 425187021 /nfs/dbraw/zinc/18/70/21/425187021.db2.gz XUYJHCQVZFXDBE-HNNXBMFYSA-N 1 3 324.432 2.360 20 0 DEADHO CN1CCC[C@@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000653618906 425192904 /nfs/dbraw/zinc/19/29/04/425192904.db2.gz RGBJHWGDUTZOJL-NVXWUHKLSA-N 1 3 316.449 2.451 20 0 DEADHO Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@]3(CCN(C)C3)C2)cc1 ZINC000660654379 425195575 /nfs/dbraw/zinc/19/55/75/425195575.db2.gz HGZJYZGIDUSLBS-PKOBYXMFSA-N 1 3 318.461 2.152 20 0 DEADHO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@]3(CCN(C)C3)C2)cc1 ZINC000660654379 425195579 /nfs/dbraw/zinc/19/55/79/425195579.db2.gz HGZJYZGIDUSLBS-PKOBYXMFSA-N 1 3 318.461 2.152 20 0 DEADHO COc1cccc(-c2n[nH]cc2CN[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000666852270 425198015 /nfs/dbraw/zinc/19/80/15/425198015.db2.gz WDCIQLBYZQGNNE-LSDHHAIUSA-N 1 3 300.406 2.445 20 0 DEADHO CCN(C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C)[C@H]1CCN(CC)C1 ZINC000663627144 425199722 /nfs/dbraw/zinc/19/97/22/425199722.db2.gz CCDPEQDZNQPIRH-ZACQAIPSSA-N 1 3 324.513 2.375 20 0 DEADHO CCN(C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C)[C@H]1CCN(CC)C1 ZINC000663627144 425199724 /nfs/dbraw/zinc/19/97/24/425199724.db2.gz CCDPEQDZNQPIRH-ZACQAIPSSA-N 1 3 324.513 2.375 20 0 DEADHO CC[C@@]1(C)CCC[C@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000651830283 425148961 /nfs/dbraw/zinc/14/89/61/425148961.db2.gz JVJITSQTNRFLMZ-MSOLQXFVSA-N 1 3 323.525 2.341 20 0 DEADHO CC[N@@H+]1CC[C@H](NC[C@]2(CO)CCc3ccccc32)[C@@H](C)C1 ZINC000651884097 425150825 /nfs/dbraw/zinc/15/08/25/425150825.db2.gz ZWRQDYVRGOIOIG-SNRMKQJTSA-N 1 3 302.462 2.183 20 0 DEADHO CC[N@H+]1CC[C@H](NC[C@]2(CO)CCc3ccccc32)[C@@H](C)C1 ZINC000651884097 425150826 /nfs/dbraw/zinc/15/08/26/425150826.db2.gz ZWRQDYVRGOIOIG-SNRMKQJTSA-N 1 3 302.462 2.183 20 0 DEADHO CCN(C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCN(CC)C1 ZINC000663794991 425238549 /nfs/dbraw/zinc/23/85/49/425238549.db2.gz ZHINTNFNULUVKN-IKGGRYGDSA-N 1 3 324.513 2.233 20 0 DEADHO CCN(C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)[C@H]1CCN(CC)C1 ZINC000663794991 425238550 /nfs/dbraw/zinc/23/85/50/425238550.db2.gz ZHINTNFNULUVKN-IKGGRYGDSA-N 1 3 324.513 2.233 20 0 DEADHO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)cc1 ZINC000652352019 425245860 /nfs/dbraw/zinc/24/58/60/425245860.db2.gz WMSUPVJJUQUZPB-KSSFIOAISA-N 1 3 317.433 2.085 20 0 DEADHO COc1ccc(NC(=O)CC[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)cc1 ZINC000652352019 425245864 /nfs/dbraw/zinc/24/58/64/425245864.db2.gz WMSUPVJJUQUZPB-KSSFIOAISA-N 1 3 317.433 2.085 20 0 DEADHO Fc1ccccc1C[C@H]1CCCCN1CCN1CC[NH2+]CC1 ZINC000652358623 425247066 /nfs/dbraw/zinc/24/70/66/425247066.db2.gz XUBMQZRPQIXISO-QGZVFWFLSA-N 1 3 305.441 2.128 20 0 DEADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000660828296 425247486 /nfs/dbraw/zinc/24/74/86/425247486.db2.gz XAMNRKGMGWTGDX-LSDHHAIUSA-N 1 3 312.502 2.135 20 0 DEADHO Cc1ccc([C@H](CNC(=O)NCC[C@H](C)[NH+](C)C)N(C)C)cc1 ZINC000663843975 425248486 /nfs/dbraw/zinc/24/84/86/425248486.db2.gz PQCRLWDHQLPNEO-RDJZCZTQSA-N 1 3 320.481 2.237 20 0 DEADHO CCN(C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)[C@H]1CCN(CC)C1 ZINC000663848282 425249962 /nfs/dbraw/zinc/24/99/62/425249962.db2.gz CWZRMKVULNUAMS-SJORKVTESA-N 1 3 324.513 2.233 20 0 DEADHO CN1CCC[C@@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000660846792 425255648 /nfs/dbraw/zinc/25/56/48/425255648.db2.gz IRMBWPOAPIITTM-JKSUJKDBSA-N 1 3 322.497 2.034 20 0 DEADHO CN1CCC[C@@H](CNC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000660846792 425255652 /nfs/dbraw/zinc/25/56/52/425255652.db2.gz IRMBWPOAPIITTM-JKSUJKDBSA-N 1 3 322.497 2.034 20 0 DEADHO CC(C)(C)N1CC[C@H]1CNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000661073805 425313813 /nfs/dbraw/zinc/31/38/13/425313813.db2.gz WULMCQRKICIFIM-INIZCTEOSA-N 1 3 322.497 2.033 20 0 DEADHO COc1cc2nccc(NCC[C@H](C)[NH+](C)C)c2cc1OC ZINC000664246820 425344586 /nfs/dbraw/zinc/34/45/86/425344586.db2.gz YTCCEWCJSZGHPK-LBPRGKRZSA-N 1 3 303.406 2.426 20 0 DEADHO Cc1nn(C)c(C)c1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657536512 425358276 /nfs/dbraw/zinc/35/82/76/425358276.db2.gz LAHAKJGCBUUTJM-UHFFFAOYSA-N 1 3 320.481 2.018 20 0 DEADHO CCN(C(=O)NC1CC[NH+](C2CCCC2)CC1)[C@H]1CCN(C)C1 ZINC000664319824 425360547 /nfs/dbraw/zinc/36/05/47/425360547.db2.gz BZPJCXMLBNKPCN-KRWDZBQOSA-N 1 3 322.497 2.129 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H](C)C3CC3)CC2)CC1 ZINC000654598717 425394670 /nfs/dbraw/zinc/39/46/70/425394670.db2.gz BVHQOTSFKSNVGG-OAHLLOKOSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)C1 ZINC000653113113 425407325 /nfs/dbraw/zinc/40/73/25/425407325.db2.gz SXOZHIZBULIWIL-VNQPRFMTSA-N 1 3 307.482 2.144 20 0 DEADHO CCOC1CCC([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)CC1 ZINC000657879324 425412209 /nfs/dbraw/zinc/41/22/09/425412209.db2.gz NUNNPZGOWVAXPQ-PQUAAJSLSA-N 1 3 309.498 2.092 20 0 DEADHO CC(=O)Nc1ccccc1CN[C@@H](C)CN(C)CCC[NH+](C)C ZINC000657572792 425368375 /nfs/dbraw/zinc/36/83/75/425368375.db2.gz GNRAUSNCJHVQNL-HNNXBMFYSA-N 1 3 320.481 2.007 20 0 DEADHO c1cc(CN2CCC(C[NH2+]CC3=CCCOC3)CC2)ccn1 ZINC000657613956 425377075 /nfs/dbraw/zinc/37/70/75/425377075.db2.gz YXAWOGWVRGYEPA-UHFFFAOYSA-N 1 3 301.434 2.230 20 0 DEADHO CCn1nccc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613971 425377297 /nfs/dbraw/zinc/37/72/97/425377297.db2.gz ZOGAKGJCAFWNDI-UHFFFAOYSA-N 1 3 313.449 2.300 20 0 DEADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000664408140 425379639 /nfs/dbraw/zinc/37/96/39/425379639.db2.gz LRZPONYZJDSAMT-GJZGRUSLSA-N 1 3 310.486 2.033 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654567467 425384402 /nfs/dbraw/zinc/38/44/02/425384402.db2.gz LPZOQPIUAAGRHZ-OWCLPIDISA-N 1 3 310.486 2.031 20 0 DEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654567467 425384406 /nfs/dbraw/zinc/38/44/06/425384406.db2.gz LPZOQPIUAAGRHZ-OWCLPIDISA-N 1 3 310.486 2.031 20 0 DEADHO CN(C(=O)[C@H]1CCC[NH2+]CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000653148210 425418468 /nfs/dbraw/zinc/41/84/68/425418468.db2.gz RVPHVPNIMVGZMY-ROUUACIJSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@@H](NCc1cnc(C(F)(F)F)nc1)C1CC[NH+](C)CC1 ZINC000658079847 425435879 /nfs/dbraw/zinc/43/58/79/425435879.db2.gz UOJABEJJZDEJIA-SNVBAGLBSA-N 1 3 302.344 2.315 20 0 DEADHO C[C@@H](C(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+])[C@@H](N)c1ccccc1 ZINC000653233184 425440093 /nfs/dbraw/zinc/44/00/93/425440093.db2.gz RSGBJXHJGLNIJB-MUIFIZLQSA-N 1 3 303.450 2.298 20 0 DEADHO CCC[N@H+](C)CC(C)(C)NC(=O)C[C@@H]1NCc2ccccc21 ZINC000664719741 425441821 /nfs/dbraw/zinc/44/18/21/425441821.db2.gz XHSXKXDSFDZZFF-INIZCTEOSA-N 1 3 303.450 2.458 20 0 DEADHO CCC[N@@H+](C)CC(C)(C)NC(=O)C[C@@H]1NCc2ccccc21 ZINC000664719741 425441826 /nfs/dbraw/zinc/44/18/26/425441826.db2.gz XHSXKXDSFDZZFF-INIZCTEOSA-N 1 3 303.450 2.458 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000661898376 425521905 /nfs/dbraw/zinc/52/19/05/425521905.db2.gz OJJHBKDTQFZTQE-INIZCTEOSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@H]1CCOC1 ZINC000665253203 425529003 /nfs/dbraw/zinc/52/90/03/425529003.db2.gz KFCADVYSOJTVCS-ABYLEIOUSA-N 1 3 310.388 2.425 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000655351051 425543048 /nfs/dbraw/zinc/54/30/48/425543048.db2.gz KHCMZFXJUYQXGK-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CC[C@H]3C)CC2)CC1 ZINC000655076014 425494938 /nfs/dbraw/zinc/49/49/38/425494938.db2.gz DYEYTQTZMBBVAS-RHSMWYFYSA-N 1 3 307.482 2.097 20 0 DEADHO C[NH+]1CCC2(CCCN2C(=O)NC[C@H]2CCN2C(C)(C)C)CC1 ZINC000665363302 425553427 /nfs/dbraw/zinc/55/34/27/425553427.db2.gz WYSICMTZVLQJSK-OAHLLOKOSA-N 1 3 322.497 2.129 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2NCc3ccccc32)[C@H](C)C1 ZINC000659259969 425561105 /nfs/dbraw/zinc/56/11/05/425561105.db2.gz CTHLJRDBQUVDOV-JLSDUUJJSA-N 1 3 315.461 2.410 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2NCc3ccccc32)[C@H](C)C1 ZINC000659259969 425561110 /nfs/dbraw/zinc/56/11/10/425561110.db2.gz CTHLJRDBQUVDOV-JLSDUUJJSA-N 1 3 315.461 2.410 20 0 DEADHO C[C@H]1C[C@H](NC(=O)N(C)CC(C)(C)[NH3+])CN1Cc1ccccc1 ZINC000659468663 425610471 /nfs/dbraw/zinc/61/04/71/425610471.db2.gz DBAVYQLYQORJJR-HOCLYGCPSA-N 1 3 318.465 2.028 20 0 DEADHO CN(CCCNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)Cc1ccccc1 ZINC000655443322 425567932 /nfs/dbraw/zinc/56/79/32/425567932.db2.gz QXSXZDOXRLIFSJ-PKOBYXMFSA-N 1 3 315.461 2.014 20 0 DEADHO NC1(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC2(CCC2)C1 ZINC000659290840 425569367 /nfs/dbraw/zinc/56/93/67/425569367.db2.gz BNQBADMZWHTEPF-OAHLLOKOSA-N 1 3 305.466 2.125 20 0 DEADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C[C@H]1NCc2ccccc21 ZINC000659318800 425575069 /nfs/dbraw/zinc/57/50/69/425575069.db2.gz HUBLHONVCSANOH-RDTXWAMCSA-N 1 3 315.461 2.410 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)c2ccccc2CC[NH3+])CC1 ZINC000655495845 425582842 /nfs/dbraw/zinc/58/28/42/425582842.db2.gz XWXHCNKTPUCDEA-UHFFFAOYSA-N 1 3 303.450 2.134 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)[C@H](C)C1 ZINC000665554354 425596429 /nfs/dbraw/zinc/59/64/29/425596429.db2.gz KOXAYGRGVRLCFW-OAGGEKHMSA-N 1 3 324.513 2.231 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)[C@H](C)C1 ZINC000665554354 425596432 /nfs/dbraw/zinc/59/64/32/425596432.db2.gz KOXAYGRGVRLCFW-OAGGEKHMSA-N 1 3 324.513 2.231 20 0 DEADHO COc1ccc(C2CC[NH+](C[C@H]3CCC4(CNC4)O3)CC2)cc1 ZINC000662253970 425601104 /nfs/dbraw/zinc/60/11/04/425601104.db2.gz CPQMGCLISKHFMO-GOSISDBHSA-N 1 3 316.445 2.396 20 0 DEADHO Cc1ccccc1OCCC[N@@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662251346 425602126 /nfs/dbraw/zinc/60/21/26/425602126.db2.gz ABOBGCNMULROMO-INIZCTEOSA-N 1 3 304.434 2.217 20 0 DEADHO Cc1ccccc1OCCC[N@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662251346 425602131 /nfs/dbraw/zinc/60/21/31/425602131.db2.gz ABOBGCNMULROMO-INIZCTEOSA-N 1 3 304.434 2.217 20 0 DEADHO CC(C)C(=O)NC1CCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662251527 425602423 /nfs/dbraw/zinc/60/24/23/425602423.db2.gz DRGQRCVODKYEFE-UHFFFAOYSA-N 1 3 315.461 2.069 20 0 DEADHO CN(CC(C)(C)[NH3+])C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000659436148 425602531 /nfs/dbraw/zinc/60/25/31/425602531.db2.gz PWABDAPWHLAUEB-INIZCTEOSA-N 1 3 318.465 2.202 20 0 DEADHO CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)C[C@@H]1CCC2(CNC2)O1 ZINC000662254333 425602622 /nfs/dbraw/zinc/60/26/22/425602622.db2.gz HIRKOFUSJAOUAL-ROUUACIJSA-N 1 3 318.461 2.027 20 0 DEADHO CC(C)[C@H](CO)[N@H+](Cc1ccccc1)C[C@@H]1CCC2(CNC2)O1 ZINC000662254333 425602626 /nfs/dbraw/zinc/60/26/26/425602626.db2.gz HIRKOFUSJAOUAL-ROUUACIJSA-N 1 3 318.461 2.027 20 0 DEADHO CN(c1ccccc1)C1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662261870 425606100 /nfs/dbraw/zinc/60/61/00/425606100.db2.gz BVLKEJVPMWHXSN-SFHVURJKSA-N 1 3 315.461 2.108 20 0 DEADHO C[NH2+]C[C@H](C)NC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000659458196 425607743 /nfs/dbraw/zinc/60/77/43/425607743.db2.gz CGLGGLGCPXSXCS-GZBFAFLISA-N 1 3 324.494 2.038 20 0 DEADHO C[C@H](CNC(=O)c1cc2c(s1)CCNC2)[NH+]1CCC(C)CC1 ZINC000662417809 425645968 /nfs/dbraw/zinc/64/59/68/425645968.db2.gz MWUSJBXQAIPPJA-CYBMUJFWSA-N 1 3 321.490 2.244 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000662436422 425650377 /nfs/dbraw/zinc/65/03/77/425650377.db2.gz BHSWGRGTIHFIFB-SFHVURJKSA-N 1 3 317.477 2.152 20 0 DEADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cccc2c1CNC2 ZINC000662453007 425653888 /nfs/dbraw/zinc/65/38/88/425653888.db2.gz RRPWXRSOMWZCKF-OKILXGFUSA-N 1 3 301.434 2.283 20 0 DEADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cccc2c1CNC2 ZINC000662453007 425653891 /nfs/dbraw/zinc/65/38/91/425653891.db2.gz RRPWXRSOMWZCKF-OKILXGFUSA-N 1 3 301.434 2.283 20 0 DEADHO C[NH+](C)C[C@@H]1CCCCN1C(=O)C[C@H]1NCc2ccccc21 ZINC000662484566 425662146 /nfs/dbraw/zinc/66/21/46/425662146.db2.gz KSXBQQWJGMGGNX-DOTOQJQBSA-N 1 3 301.434 2.164 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662483878 425662181 /nfs/dbraw/zinc/66/21/81/425662181.db2.gz YQZMXSQQJRUZQR-YOEHRIQHSA-N 1 3 301.434 2.021 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662483878 425662186 /nfs/dbraw/zinc/66/21/86/425662186.db2.gz YQZMXSQQJRUZQR-YOEHRIQHSA-N 1 3 301.434 2.021 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC(CN3CCOCC3)CC2)C1 ZINC000659843933 425665619 /nfs/dbraw/zinc/66/56/19/425665619.db2.gz DXGRYZSPJXQFEO-QZTJIDSGSA-N 1 3 323.525 2.009 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662499187 425666947 /nfs/dbraw/zinc/66/69/47/425666947.db2.gz XFZOVEJFIVDELO-YJBOKZPZSA-N 1 3 315.461 2.315 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662499187 425666950 /nfs/dbraw/zinc/66/69/50/425666950.db2.gz XFZOVEJFIVDELO-YJBOKZPZSA-N 1 3 315.461 2.315 20 0 DEADHO CCCCCNC(=O)[C@H](C)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290782 425613520 /nfs/dbraw/zinc/61/35/20/425613520.db2.gz KKQYYOZBFBYRDA-RDJZCZTQSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@@H](C(=O)N1CCC(C)CC1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291435 425614438 /nfs/dbraw/zinc/61/44/38/425614438.db2.gz SGLVNXWSTXBELD-WMZOPIPTSA-N 1 3 321.509 2.345 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)CC(C)(C)[NH3+])N(C)C ZINC000659492104 425615255 /nfs/dbraw/zinc/61/52/55/425615255.db2.gz JBGVPIRRWMNGSG-HOCLYGCPSA-N 1 3 320.481 2.365 20 0 DEADHO COc1ccnc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c1OC ZINC000662293770 425616043 /nfs/dbraw/zinc/61/60/43/425616043.db2.gz NNCISJNDWUFSFL-OAHLLOKOSA-N 1 3 319.449 2.310 20 0 DEADHO COc1cccc([C@]2(C)CC[N@H+](C[C@@H]3CCC4(CNC4)O3)C2)c1 ZINC000662309572 425620167 /nfs/dbraw/zinc/62/01/67/425620167.db2.gz ARABYZUEJUSZMH-ZWKOTPCHSA-N 1 3 316.445 2.180 20 0 DEADHO COc1cccc([C@]2(C)CC[N@@H+](C[C@@H]3CCC4(CNC4)O3)C2)c1 ZINC000662309572 425620169 /nfs/dbraw/zinc/62/01/69/425620169.db2.gz ARABYZUEJUSZMH-ZWKOTPCHSA-N 1 3 316.445 2.180 20 0 DEADHO C[C@@H]1CCCN(CC(=O)NC(C2CC2)C2CC2)[C@@H]1CCC[NH3+] ZINC000662313622 425621658 /nfs/dbraw/zinc/62/16/58/425621658.db2.gz JNXXTIWVXXOKTG-CZUORRHYSA-N 1 3 307.482 2.131 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662336820 425627104 /nfs/dbraw/zinc/62/71/04/425627104.db2.gz GYFKXRHKYOAXFR-LSDHHAIUSA-N 1 3 305.470 2.045 20 0 DEADHO CC[C@H](C)C[N@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662336820 425627108 /nfs/dbraw/zinc/62/71/08/425627108.db2.gz GYFKXRHKYOAXFR-LSDHHAIUSA-N 1 3 305.470 2.045 20 0 DEADHO O=C(C[C@H]1NCc2ccccc21)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000662339466 425627415 /nfs/dbraw/zinc/62/74/15/425627415.db2.gz YUBCPWNOVBISDA-QZTJIDSGSA-N 1 3 313.445 2.212 20 0 DEADHO CN(C)C1(C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CCCC1 ZINC000655682756 425627570 /nfs/dbraw/zinc/62/75/70/425627570.db2.gz JINUVFINJWMBFC-KRWDZBQOSA-N 1 3 309.498 2.094 20 0 DEADHO c1c(N2CCNCC2)n[nH]c1[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC000662337080 425627801 /nfs/dbraw/zinc/62/78/01/425627801.db2.gz JIZOWDHMTRQFDK-INIZCTEOSA-N 1 3 317.481 2.189 20 0 DEADHO c1c(N2CCNCC2)n[nH]c1[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC000662337080 425627804 /nfs/dbraw/zinc/62/78/04/425627804.db2.gz JIZOWDHMTRQFDK-INIZCTEOSA-N 1 3 317.481 2.189 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)NC1CC[NH+](CC2CC2)CC1 ZINC000662394263 425640630 /nfs/dbraw/zinc/64/06/30/425640630.db2.gz RSIGKEYRNLTZLL-SFHVURJKSA-N 1 3 313.445 2.212 20 0 DEADHO C[C@@H](CNC(=O)C[C@@H]1NCc2ccccc21)C[NH+]1CCCC1 ZINC000662392752 425640675 /nfs/dbraw/zinc/64/06/75/425640675.db2.gz HIYBQVCOFPWFPI-YOEHRIQHSA-N 1 3 301.434 2.069 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](C2CCC2)C1 ZINC000665763727 425641706 /nfs/dbraw/zinc/64/17/06/425641706.db2.gz KJTVUPPBUWEPQE-DOTOQJQBSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](C2CCC2)C1 ZINC000665763727 425641709 /nfs/dbraw/zinc/64/17/09/425641709.db2.gz KJTVUPPBUWEPQE-DOTOQJQBSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC(C)(C)C1CCC1 ZINC000665763947 425642084 /nfs/dbraw/zinc/64/20/84/425642084.db2.gz PRHPTVRLYZBGNT-AWEZNQCLSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC(C)(C)C1CCC1 ZINC000665763947 425642087 /nfs/dbraw/zinc/64/20/87/425642087.db2.gz PRHPTVRLYZBGNT-AWEZNQCLSA-N 1 3 312.502 2.136 20 0 DEADHO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1CNCc2ccccc21 ZINC000662835858 425743717 /nfs/dbraw/zinc/74/37/17/425743717.db2.gz SMSMHCVGLZTCMT-KZNAEPCWSA-N 1 3 313.445 2.007 20 0 DEADHO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1CNCc2ccccc21 ZINC000662835858 425743720 /nfs/dbraw/zinc/74/37/20/425743720.db2.gz SMSMHCVGLZTCMT-KZNAEPCWSA-N 1 3 313.445 2.007 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000662592212 425688975 /nfs/dbraw/zinc/68/89/75/425688975.db2.gz IEMDVGREDJVSEA-RHSMWYFYSA-N 1 3 315.461 2.110 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000662592212 425688979 /nfs/dbraw/zinc/68/89/79/425688979.db2.gz IEMDVGREDJVSEA-RHSMWYFYSA-N 1 3 315.461 2.110 20 0 DEADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCc2noc3ccccc32)CC1 ZINC000655941140 425692415 /nfs/dbraw/zinc/69/24/15/425692415.db2.gz MYXFITFMUTZGRV-QAPCUYQASA-N 1 3 315.417 2.199 20 0 DEADHO [NH3+]CCCOC1CCN(CCc2noc3ccccc32)CC1 ZINC000655937648 425692760 /nfs/dbraw/zinc/69/27/60/425692760.db2.gz DRIQVLKBABKGGV-UHFFFAOYSA-N 1 3 303.406 2.200 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000655970380 425697000 /nfs/dbraw/zinc/69/70/00/425697000.db2.gz SJLGHXSDFZAMTC-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO C[NH2+]CCc1ccccc1C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000662835049 425744113 /nfs/dbraw/zinc/74/41/13/425744113.db2.gz KGVAXXULHVQXDC-QZTJIDSGSA-N 1 3 315.461 2.195 20 0 DEADHO CC1(C)CC[NH2+][C@@H]1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000662658912 425704052 /nfs/dbraw/zinc/70/40/52/425704052.db2.gz MFBJHTCKOWYMQS-QGZVFWFLSA-N 1 3 315.461 2.155 20 0 DEADHO [NH3+][C@H]1C[C@H](C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000662682517 425711964 /nfs/dbraw/zinc/71/19/64/425711964.db2.gz LMBRGWPSMPNTBR-ULQDDVLXSA-N 1 3 301.434 2.067 20 0 DEADHO CC[NH+](CC)CC1CCN(C(=O)C2(NC3CC3)CCC2)CC1 ZINC000662683379 425712764 /nfs/dbraw/zinc/71/27/64/425712764.db2.gz NIPKUSAVQFKYGL-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)C2(NC3CC3)CCC2)C1 ZINC000662682188 425712946 /nfs/dbraw/zinc/71/29/46/425712946.db2.gz HXKPYVBHJJZHAZ-HNNXBMFYSA-N 1 3 307.482 2.289 20 0 DEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)C2(NC3CC3)CCC2)C1 ZINC000662682188 425712947 /nfs/dbraw/zinc/71/29/47/425712947.db2.gz HXKPYVBHJJZHAZ-HNNXBMFYSA-N 1 3 307.482 2.289 20 0 DEADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cccc2c1CNC2 ZINC000662693240 425713818 /nfs/dbraw/zinc/71/38/18/425713818.db2.gz HTZCGCOKYNBHEH-CQSZACIVSA-N 1 3 301.434 2.140 20 0 DEADHO C[C@@H](N[C@H]1CCN(c2ccc(F)cc2)C1=O)C1CC[NH+](C)CC1 ZINC000666230605 425721139 /nfs/dbraw/zinc/72/11/39/425721139.db2.gz ZGWJSHZLVQTEDP-DYVFJYSZSA-N 1 3 319.424 2.251 20 0 DEADHO CC(C)[C@H]([NH3+])CCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000662726466 425722528 /nfs/dbraw/zinc/72/25/28/425722528.db2.gz HOVXLYVGHWCJSW-QGZVFWFLSA-N 1 3 303.450 2.386 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1)N(C)C ZINC000666243152 425723755 /nfs/dbraw/zinc/72/37/55/425723755.db2.gz CFBSASHSOPWNFI-AEFFLSMTSA-N 1 3 317.477 2.007 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)N(C)C ZINC000666243152 425723759 /nfs/dbraw/zinc/72/37/59/425723759.db2.gz CFBSASHSOPWNFI-AEFFLSMTSA-N 1 3 317.477 2.007 20 0 DEADHO C[C@@H](CNC(=O)[C@@H]1[NH2+]CCC1(C)C)N(C)Cc1ccccc1 ZINC000662730761 425724090 /nfs/dbraw/zinc/72/40/90/425724090.db2.gz OTEJPPYIYVUCRT-HOCLYGCPSA-N 1 3 303.450 2.011 20 0 DEADHO CC1(C)CCCN[C@@H]1C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662838528 425745648 /nfs/dbraw/zinc/74/56/48/425745648.db2.gz HWVBGCXYDDOQKZ-HZPDHXFCSA-N 1 3 307.482 2.003 20 0 DEADHO CO[C@H](CN(C)CC[N@H+](C)C1CCN(C)CC1)C1CCCC1 ZINC000660139178 425748917 /nfs/dbraw/zinc/74/89/17/425748917.db2.gz NEIBVKCNIZJJHW-GOSISDBHSA-N 1 3 311.514 2.149 20 0 DEADHO CO[C@H](CN(C)CC[N@@H+](C)C1CCN(C)CC1)C1CCCC1 ZINC000660139178 425748922 /nfs/dbraw/zinc/74/89/22/425748922.db2.gz NEIBVKCNIZJJHW-GOSISDBHSA-N 1 3 311.514 2.149 20 0 DEADHO CCSCC[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397491910 269106643 /nfs/dbraw/zinc/10/66/43/269106643.db2.gz KSHZZPWUTHMXTM-UHFFFAOYSA-N 1 3 308.491 2.356 20 0 DEADHO N[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)C1CCC1 ZINC000399221515 269111146 /nfs/dbraw/zinc/11/11/46/269111146.db2.gz KVAPFVFFXPFKKO-GOSISDBHSA-N 1 3 315.461 2.416 20 0 DEADHO COc1ncccc1CC[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423144675 269115418 /nfs/dbraw/zinc/11/54/18/269115418.db2.gz ZJHCYFNKQIHQIL-GFCCVEGCSA-N 1 3 300.406 2.146 20 0 DEADHO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC[C@H]2CCCN2C)C1 ZINC000495520150 269150240 /nfs/dbraw/zinc/15/02/40/269150240.db2.gz PBDWPWUYEQFCRE-OWCLPIDISA-N 1 3 311.470 2.317 20 0 DEADHO CNC[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496405283 269216960 /nfs/dbraw/zinc/21/69/60/269216960.db2.gz YJQSSBGDKLATMV-CVEARBPZSA-N 1 3 319.449 2.485 20 0 DEADHO CN1CC=C(C[NH2+]C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000496562803 269230244 /nfs/dbraw/zinc/23/02/44/269230244.db2.gz DWMWOMIVQVXYQP-CRAIPNDOSA-N 1 3 321.465 2.095 20 0 DEADHO OC[C@H](CC1CCC1)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000514854721 269334031 /nfs/dbraw/zinc/33/40/31/269334031.db2.gz CLXMZDUFRURLAE-WDYCEAGBSA-N 1 3 316.445 2.383 20 0 DEADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@H](N)c1ccccc1 ZINC000515073091 269343075 /nfs/dbraw/zinc/34/30/75/269343075.db2.gz FIMNDBLUKGFGIH-RDJZCZTQSA-N 1 3 318.465 2.106 20 0 DEADHO CCc1nc2ccccc2n1C1CCN(CCOCC[NH3+])CC1 ZINC000420366573 273774955 /nfs/dbraw/zinc/77/49/55/273774955.db2.gz GDQHRXGVJSOISN-UHFFFAOYSA-N 1 3 316.449 2.211 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424473013 275746253 /nfs/dbraw/zinc/74/62/53/275746253.db2.gz GNLKQEJOBGJSBS-IXDOHACOSA-N 1 3 318.465 2.379 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000368405633 276252488 /nfs/dbraw/zinc/25/24/88/276252488.db2.gz ZQYIJJNDWPSPTK-DLBZAZTESA-N 1 3 324.513 2.234 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000358277990 276261473 /nfs/dbraw/zinc/26/14/73/276261473.db2.gz QHRYZMRJEULIIZ-DLBZAZTESA-N 1 3 322.497 2.131 20 0 DEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000358277990 276261475 /nfs/dbraw/zinc/26/14/75/276261475.db2.gz QHRYZMRJEULIIZ-DLBZAZTESA-N 1 3 322.497 2.131 20 0 DEADHO CC[NH2+]CC1CCN([C@@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000430587655 276264465 /nfs/dbraw/zinc/26/44/65/276264465.db2.gz XBAGUUSSXCTLMB-QGZVFWFLSA-N 1 3 303.450 2.137 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)[C@@H](C)C1 ZINC000352901169 276316248 /nfs/dbraw/zinc/31/62/48/276316248.db2.gz LBPSBCRGUILLNT-PBWTXFEYSA-N 1 3 323.525 2.196 20 0 DEADHO CCn1nnc(C)c1CNCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000449084801 276721101 /nfs/dbraw/zinc/72/11/01/276721101.db2.gz YVWAGYOYZKLSPE-HUUCEWRRSA-N 1 3 307.486 2.454 20 0 DEADHO CN1CC[C@H]([NH2+]C2CN(C(=O)OC(C)(C)C)C2)[C@@H]2CCC[C@H]21 ZINC000367638810 277169859 /nfs/dbraw/zinc/16/98/59/277169859.db2.gz QUMFJMNYXOOVLM-SOUVJXGZSA-N 1 3 309.454 2.068 20 0 DEADHO C[NH2+]CCN(C)C(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000237312559 277269825 /nfs/dbraw/zinc/26/98/25/277269825.db2.gz BBBUFPJIUFRPPU-INIZCTEOSA-N 1 3 317.477 2.007 20 0 DEADHO C[NH2+]Cc1ccc(NC(=O)N2CCCC23CCN(C)CC3)cc1 ZINC000415984681 277286934 /nfs/dbraw/zinc/28/69/34/277286934.db2.gz QFZCRBQJIDDXON-UHFFFAOYSA-N 1 3 316.449 2.498 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000422175485 277390530 /nfs/dbraw/zinc/39/05/30/277390530.db2.gz ALIAJMQDYXUBIB-DLBZAZTESA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000422175485 277390531 /nfs/dbraw/zinc/39/05/31/277390531.db2.gz ALIAJMQDYXUBIB-DLBZAZTESA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2C[C@H](C)NC[C@H]2C)C1 ZINC000417224679 278001741 /nfs/dbraw/zinc/00/17/41/278001741.db2.gz VPEZWQJCPSJWPD-XUWVNRHRSA-N 1 3 324.513 2.135 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2C[C@H](C)NC[C@H]2C)C1 ZINC000417224679 278001743 /nfs/dbraw/zinc/00/17/43/278001743.db2.gz VPEZWQJCPSJWPD-XUWVNRHRSA-N 1 3 324.513 2.135 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@]2(C)CCCCN2)C1 ZINC000237509075 278002624 /nfs/dbraw/zinc/00/26/24/278002624.db2.gz DNIVWVJTOIRWAN-SOLBZPMBSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@]2(C)CCCCN2)C1 ZINC000237509075 278002625 /nfs/dbraw/zinc/00/26/25/278002625.db2.gz DNIVWVJTOIRWAN-SOLBZPMBSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)CC[N@@H+]1C ZINC000449940186 278023287 /nfs/dbraw/zinc/02/32/87/278023287.db2.gz LJECDIAXZBJAGW-BFYDXBDKSA-N 1 3 307.482 2.382 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)CC[N@H+]1C ZINC000449940186 278023289 /nfs/dbraw/zinc/02/32/89/278023289.db2.gz LJECDIAXZBJAGW-BFYDXBDKSA-N 1 3 307.482 2.382 20 0 DEADHO C[C@@H](C(=O)NC1CCC(C)CC1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420337014 278205382 /nfs/dbraw/zinc/20/53/82/278205382.db2.gz JGXSAJGJALRGBD-RGUZKJPTSA-N 1 3 321.509 2.391 20 0 DEADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2C[C@H](C)NC[C@H]2C)c1 ZINC000417401511 279040707 /nfs/dbraw/zinc/04/07/07/279040707.db2.gz LMWILCWOTVXBEJ-LSDHHAIUSA-N 1 3 318.465 2.030 20 0 DEADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2C[C@H](C)NC[C@H]2C)c1 ZINC000417401511 279040709 /nfs/dbraw/zinc/04/07/09/279040709.db2.gz LMWILCWOTVXBEJ-LSDHHAIUSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N1CCC2(CC[NH2+]C2)CC1 ZINC000431027023 279232748 /nfs/dbraw/zinc/23/27/48/279232748.db2.gz ZFXOKYIRWQKKEB-TWMKSMIVSA-N 1 3 321.509 2.391 20 0 DEADHO CC[N@H+](Cc1ccc(C(=O)N2CCN[C@@H](C)[C@H]2C)cc1)C1CC1 ZINC000434667716 279234802 /nfs/dbraw/zinc/23/48/02/279234802.db2.gz YKSCPZIRZWUKSI-LSDHHAIUSA-N 1 3 315.461 2.493 20 0 DEADHO CC[N@@H+](Cc1ccc(C(=O)N2CCN[C@@H](C)[C@H]2C)cc1)C1CC1 ZINC000434667716 279234804 /nfs/dbraw/zinc/23/48/04/279234804.db2.gz YKSCPZIRZWUKSI-LSDHHAIUSA-N 1 3 315.461 2.493 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000245897459 279277751 /nfs/dbraw/zinc/27/77/51/279277751.db2.gz ISNJYZSJFATLAS-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000245897459 279277752 /nfs/dbraw/zinc/27/77/52/279277752.db2.gz ISNJYZSJFATLAS-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000428854359 279281222 /nfs/dbraw/zinc/28/12/22/279281222.db2.gz DHYIYALJNNVKPU-KRWDZBQOSA-N 1 3 322.497 2.034 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+](C)C[C@H](C)OC)CC1 ZINC000348832562 279375090 /nfs/dbraw/zinc/37/50/90/279375090.db2.gz JBISXGBEBRENGK-INIZCTEOSA-N 1 3 305.466 2.295 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+](C)C[C@H](C)OC)CC1 ZINC000348832562 279375092 /nfs/dbraw/zinc/37/50/92/279375092.db2.gz JBISXGBEBRENGK-INIZCTEOSA-N 1 3 305.466 2.295 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCC23CCOCC3)C[C@H](C)O1 ZINC000367064154 288161530 /nfs/dbraw/zinc/16/15/30/288161530.db2.gz BSWFKLIXNOVSRL-BBWFWOEESA-N 1 3 310.482 2.425 20 0 DEADHO CC(C)[C@@H](C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)N(C)C ZINC000359241676 279784268 /nfs/dbraw/zinc/78/42/68/279784268.db2.gz HHIJBECWAFEUFR-OAGGEKHMSA-N 1 3 311.514 2.445 20 0 DEADHO CC[C@@H](C)N[C@H](CNC(=O)NC1CCC([NH3+])CC1)c1ccco1 ZINC000418167249 280112617 /nfs/dbraw/zinc/11/26/17/280112617.db2.gz MGDQYHXWEOMZBL-XSCHDIRWSA-N 1 3 322.453 2.278 20 0 DEADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000417027542 280279560 /nfs/dbraw/zinc/27/95/60/280279560.db2.gz ZXSKAWZXINTUSN-OWCLPIDISA-N 1 3 312.502 2.122 20 0 DEADHO CN(C)C1(CNC(=O)NCC[NH2+]C2CCCCCC2)CCC1 ZINC000418063890 282035283 /nfs/dbraw/zinc/03/52/83/282035283.db2.gz SMLGJVVSJGZRQN-UHFFFAOYSA-N 1 3 310.486 2.082 20 0 DEADHO CN(C)C(=O)c1cccc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420333094 289032647 /nfs/dbraw/zinc/03/26/47/289032647.db2.gz SKTAORKEALKTHB-ROUUACIJSA-N 1 3 315.461 2.210 20 0 DEADHO CN1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC2 ZINC000074301417 289182894 /nfs/dbraw/zinc/18/28/94/289182894.db2.gz UKZALRAWKAEJQH-PMPSAXMXSA-N 1 3 324.513 2.231 20 0 DEADHO CN1CC[C@H]2CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]2C1 ZINC000353404641 289182987 /nfs/dbraw/zinc/18/29/87/289182987.db2.gz HSXIZECXJFWXJK-JYJNAYRXSA-N 1 3 324.513 2.088 20 0 DEADHO CN1CCC([NH2+][C@H]2CNCC[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000423362922 289887959 /nfs/dbraw/zinc/88/79/59/289887959.db2.gz INCILZRVVNRSAJ-YOEHRIQHSA-N 1 3 309.404 2.094 20 0 DEADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(C)(C)N ZINC000237519180 290392945 /nfs/dbraw/zinc/39/29/45/290392945.db2.gz JBZCQZCCEWCDRU-AWEZNQCLSA-N 1 3 303.450 2.415 20 0 DEADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(C)(C)N ZINC000237519180 290392947 /nfs/dbraw/zinc/39/29/47/290392947.db2.gz JBZCQZCCEWCDRU-AWEZNQCLSA-N 1 3 303.450 2.415 20 0 DEADHO [NH3+]CC1(CC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000423302425 295222461 /nfs/dbraw/zinc/22/24/61/295222461.db2.gz HNHVJCFEWQEPBI-INIZCTEOSA-N 1 3 301.434 2.069 20 0 DEADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000261864086 295315358 /nfs/dbraw/zinc/31/53/58/295315358.db2.gz XCRIJQGQXCAEHT-RCCFBDPRSA-N 1 3 315.461 2.457 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423647600 295330290 /nfs/dbraw/zinc/33/02/90/295330290.db2.gz XZYDYHWJJPSNGR-DLBZAZTESA-N 1 3 307.482 2.132 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC000567817451 325864343 /nfs/dbraw/zinc/86/43/43/325864343.db2.gz QBLAQWAESKTCIV-UHFFFAOYSA-N 1 3 315.461 2.354 20 0 DEADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C1(N)CCC1 ZINC000573450091 326058775 /nfs/dbraw/zinc/05/87/75/326058775.db2.gz ZVRWZKCDPRQFMI-UHFFFAOYSA-N 1 3 316.449 2.028 20 0 DEADHO CN(CCCN(C)Cc1cn(C)nc1C(C)(C)C)CC[NH+](C)C ZINC000573727414 326086151 /nfs/dbraw/zinc/08/61/51/326086151.db2.gz RLXYKCHVBXALTD-UHFFFAOYSA-N 1 3 323.529 2.033 20 0 DEADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H]1CNCc2ccccc21 ZINC000573805452 326094354 /nfs/dbraw/zinc/09/43/54/326094354.db2.gz BXYMDRRMKXMBPV-WMZOPIPTSA-N 1 3 315.461 2.206 20 0 DEADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@H]1CNCc2ccccc21 ZINC000573805452 326094357 /nfs/dbraw/zinc/09/43/57/326094357.db2.gz BXYMDRRMKXMBPV-WMZOPIPTSA-N 1 3 315.461 2.206 20 0 DEADHO Cc1cc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)ccc1OCCN1CCCC1 ZINC000574088516 326122222 /nfs/dbraw/zinc/12/22/22/326122222.db2.gz CCCVNODGTJAIBR-GASCZTMLSA-N 1 3 317.433 2.145 20 0 DEADHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)COc2cc(C)ccc2C)C1 ZINC000574632140 326172213 /nfs/dbraw/zinc/17/22/13/326172213.db2.gz OMQOZQSMVCZBIN-ROUUACIJSA-N 1 3 320.477 2.365 20 0 DEADHO CC[N@H+](C)C[C@@H](O)CN1CCC[C@H](Cc2ccc(OC)cc2)C1 ZINC000575068995 326215875 /nfs/dbraw/zinc/21/58/75/326215875.db2.gz JUBKCKGUJRNZCP-QZTJIDSGSA-N 1 3 320.477 2.262 20 0 DEADHO CC[N@@H+](C)C[C@@H](O)CN1CCC[C@H](Cc2ccc(OC)cc2)C1 ZINC000575068995 326215876 /nfs/dbraw/zinc/21/58/76/326215876.db2.gz JUBKCKGUJRNZCP-QZTJIDSGSA-N 1 3 320.477 2.262 20 0 DEADHO CSc1ccc([C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)N(C)C)cc1 ZINC000576426459 326292914 /nfs/dbraw/zinc/29/29/14/326292914.db2.gz JHYZLRAFRPABCF-GOEBONIOSA-N 1 3 321.490 2.079 20 0 DEADHO CSc1ccc([C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)N(C)C)cc1 ZINC000576426459 326292915 /nfs/dbraw/zinc/29/29/15/326292915.db2.gz JHYZLRAFRPABCF-GOEBONIOSA-N 1 3 321.490 2.079 20 0 DEADHO Fc1ccc([C@@H](NCC[C@@H]2CCC[NH2+]C2)c2c[nH]nn2)cc1 ZINC000576626435 326307060 /nfs/dbraw/zinc/30/70/60/326307060.db2.gz FOYQSFYPXAXMOQ-BLLLJJGKSA-N 1 3 303.385 2.013 20 0 DEADHO CCc1ccc([C@H](CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+])N(C)C)cc1 ZINC000577391932 326363717 /nfs/dbraw/zinc/36/37/17/326363717.db2.gz CNFUUHNWZQTSKM-KEYYUXOJSA-N 1 3 320.481 2.277 20 0 DEADHO CC(C)[NH2+]CCC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000580071363 332926446 /nfs/dbraw/zinc/92/64/46/332926446.db2.gz SHNNNLWAWORVSW-UHFFFAOYSA-N 1 3 309.429 2.104 20 0 DEADHO CN1CCC[C@@H](CNC(=O)CCCC[NH3+])[C@@H]1c1cccs1 ZINC000582783822 337160531 /nfs/dbraw/zinc/16/05/31/337160531.db2.gz UTEMXSJDUXSKAE-XJKSGUPXSA-N 1 3 309.479 2.376 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H](C)C2=CCN(C)CC2)c1 ZINC000584406389 337320474 /nfs/dbraw/zinc/32/04/74/337320474.db2.gz FFOOILJDNOHESH-FUHWJXTLSA-N 1 3 318.461 2.283 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CNCc2ccccc21 ZINC000584466552 337347107 /nfs/dbraw/zinc/34/71/07/337347107.db2.gz BDONUPXFWASECX-RVKKMQEKSA-N 1 3 315.461 2.110 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CNCc2ccccc21 ZINC000584466552 337347108 /nfs/dbraw/zinc/34/71/08/337347108.db2.gz BDONUPXFWASECX-RVKKMQEKSA-N 1 3 315.461 2.110 20 0 DEADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000584527428 337356031 /nfs/dbraw/zinc/35/60/31/337356031.db2.gz LWSJCOQKBAMVDQ-CJNGLKHVSA-N 1 3 321.490 2.074 20 0 DEADHO CC(C)[NH2+]CCCNC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000577487005 341911987 /nfs/dbraw/zinc/91/19/87/341911987.db2.gz UVHYXRKPJRCYLK-KRWDZBQOSA-N 1 3 320.481 2.497 20 0 DEADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccccc1 ZINC001378247498 1152250969 /nfs/dbraw/zinc/25/09/69/1152250969.db2.gz DEPLGUBGLFDFTC-MRXNPFEDSA-N 1 3 303.450 2.155 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(CCC(F)(F)F)[C@@H](C)C1 ZINC001377375549 1160299701 /nfs/dbraw/zinc/29/97/01/1160299701.db2.gz AZRVEYZIKAVVIZ-QWHCGFSZSA-N 1 3 323.403 2.250 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CCC(F)(F)F)[C@@H](C)C1 ZINC001377375549 1160299733 /nfs/dbraw/zinc/29/97/33/1160299733.db2.gz AZRVEYZIKAVVIZ-QWHCGFSZSA-N 1 3 323.403 2.250 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C1CC([NH2+]Cc2ccsc2)C1)N(C)C ZINC001369575477 1149047422 /nfs/dbraw/zinc/04/74/22/1149047422.db2.gz SZMPSNADYVMAOC-UYSNPLJNSA-N 1 3 323.506 2.413 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)C1)N(C)C ZINC001400623480 1161785130 /nfs/dbraw/zinc/78/51/30/1161785130.db2.gz CWBNRMQRONBLNW-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)C1)N(C)C ZINC001400623480 1161785133 /nfs/dbraw/zinc/78/51/33/1161785133.db2.gz CWBNRMQRONBLNW-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC1CC(F)(F)C1 ZINC001400815808 1161827246 /nfs/dbraw/zinc/82/72/46/1161827246.db2.gz WFEQPWUACGPCTG-ZDUSSCGKSA-N 1 3 317.424 2.000 20 0 DEADHO C[C@@H](CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)N(C)C1CC1 ZINC000417549833 533985821 /nfs/dbraw/zinc/98/58/21/533985821.db2.gz KALWBGMHYJETLS-WMLDXEAASA-N 1 3 318.465 2.249 20 0 DEADHO C[C@H](C[NH3+])CNC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000417710073 534041274 /nfs/dbraw/zinc/04/12/74/534041274.db2.gz UGXWIRQSALEFDC-KGLIPLIRSA-N 1 3 306.454 2.010 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1csc(C)c1)N(C)C ZINC001378826904 1152459673 /nfs/dbraw/zinc/45/96/73/1152459673.db2.gz GYQQRGHHECZJFV-WFASDCNBSA-N 1 3 311.495 2.333 20 0 DEADHO C[C@@H]1CCNCC[C@H]1[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000422687672 534072034 /nfs/dbraw/zinc/07/20/34/534072034.db2.gz BTOFUGINMQSVEU-CRAIPNDOSA-N 1 3 302.466 2.024 20 0 DEADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000423014271 534073619 /nfs/dbraw/zinc/07/36/19/534073619.db2.gz OOYSDDRYKMZTRL-KBAYOESNSA-N 1 3 315.461 2.013 20 0 DEADHO O=C(NCC[C@H]1CCC[NH2+]1)C1CCN(Cc2ccccc2)CC1 ZINC000444262520 534423927 /nfs/dbraw/zinc/42/39/27/534423927.db2.gz KLNCOHAHRUJQCX-GOSISDBHSA-N 1 3 315.461 2.157 20 0 DEADHO CCN1CCC(NC(=O)N2CCC(C[NH+](CC)CC)CC2)CC1 ZINC000339517733 520587528 /nfs/dbraw/zinc/58/75/28/520587528.db2.gz JIUSMSAPLHAITG-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H](C)C[NH2+]C ZINC000246167452 521271871 /nfs/dbraw/zinc/27/18/71/521271871.db2.gz AXDFUBGMOAGOBH-AEFFLSMTSA-N 1 3 317.477 2.213 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H](C)NCCF ZINC001402044500 1162226458 /nfs/dbraw/zinc/22/64/58/1162226458.db2.gz OANKUYYMEPLRNI-CABCVRRESA-N 1 3 301.450 2.047 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H](C)NCCF ZINC001402044500 1162226465 /nfs/dbraw/zinc/22/64/65/1162226465.db2.gz OANKUYYMEPLRNI-CABCVRRESA-N 1 3 301.450 2.047 20 0 DEADHO Cc1cnccc1C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000294964131 534707863 /nfs/dbraw/zinc/70/78/63/534707863.db2.gz CPVQUVFJJUELOE-MSOLQXFVSA-N 1 3 303.450 2.248 20 0 DEADHO Cc1cccc(C[C@@H](CO)[NH2+][C@H](C)c2ccc(CN)nc2C)c1 ZINC000423060310 534723479 /nfs/dbraw/zinc/72/34/79/534723479.db2.gz OEEFKBFVBNKISK-QAPCUYQASA-N 1 3 313.445 2.411 20 0 DEADHO C[C@H](CNC(=O)NCCCCC[NH+]1CCCCC1)N(C)C1CC1 ZINC000111856760 524410303 /nfs/dbraw/zinc/41/03/03/524410303.db2.gz OSPCJWPVBVPHLV-MRXNPFEDSA-N 1 3 324.513 2.425 20 0 DEADHO C[C@@H](CN1CCOCC1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000156725260 524629161 /nfs/dbraw/zinc/62/91/61/524629161.db2.gz DCICLCQSRWAWPT-INIZCTEOSA-N 1 3 309.498 2.094 20 0 DEADHO C[C@H](C(=O)N(C)[C@@H](C)C[NH3+])N1CCC(Cc2ccccc2)CC1 ZINC000237437102 525940559 /nfs/dbraw/zinc/94/05/59/525940559.db2.gz WEPWCKOSGMYOFD-JKSUJKDBSA-N 1 3 317.477 2.135 20 0 DEADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)N[C@H]1CC[NH2+]C1 ZINC000422731185 526620899 /nfs/dbraw/zinc/62/08/99/526620899.db2.gz NBOHJXKCZYZCCT-ZWKOTPCHSA-N 1 3 301.478 2.411 20 0 DEADHO CCCN(C(=O)NC[C@@H]1CCCN1CCC)C1CC[NH2+]CC1 ZINC000418178156 527755907 /nfs/dbraw/zinc/75/59/07/527755907.db2.gz FFAOXSDBTMEKJR-INIZCTEOSA-N 1 3 310.486 2.034 20 0 DEADHO CC(C)CN1CCO[C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422773855 528019088 /nfs/dbraw/zinc/01/90/88/528019088.db2.gz UXWUIKVTRSQXPN-YDZRNGNQSA-N 1 3 323.525 2.244 20 0 DEADHO CC1(NC(=O)c2cccc(CN3CCCC3)c2)CC[NH2+]CC1 ZINC000193350377 528030875 /nfs/dbraw/zinc/03/08/75/528030875.db2.gz BMASIMUUNPVIIR-UHFFFAOYSA-N 1 3 301.434 2.154 20 0 DEADHO CCC[NH+]1CCC(NC(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000447975229 528199570 /nfs/dbraw/zinc/19/95/70/528199570.db2.gz ZCKSKEBDQAGFBD-INIZCTEOSA-N 1 3 324.513 2.280 20 0 DEADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H](O)CC)CC1 ZINC000422084905 528249335 /nfs/dbraw/zinc/24/93/35/528249335.db2.gz LOEGLMMHRVXUCG-KRWDZBQOSA-N 1 3 305.466 2.079 20 0 DEADHO CC[NH2+]CC1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000418095527 528283611 /nfs/dbraw/zinc/28/36/11/528283611.db2.gz GKAWAMQJPVCHQU-INIZCTEOSA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)C[C@@H](C[NH3+])N[C@@H](C)CC(=O)NCCc1ccccc1 ZINC000414855883 528310631 /nfs/dbraw/zinc/31/06/31/528310631.db2.gz XTOBGDXLPYOVOL-RDJZCZTQSA-N 1 3 305.466 2.087 20 0 DEADHO CC[NH2+]CCNC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000417706209 528311696 /nfs/dbraw/zinc/31/16/96/528311696.db2.gz ORNRTVOILWWCOM-AWEZNQCLSA-N 1 3 306.454 2.025 20 0 DEADHO CCN(Cc1ccc(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1)C1CC1 ZINC000429179842 528773123 /nfs/dbraw/zinc/77/31/23/528773123.db2.gz HBVKLLNCDAQNTE-KDOFPFPSSA-N 1 3 315.461 2.480 20 0 DEADHO CCN(Cc1cccc(F)c1)C(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000443059687 528806875 /nfs/dbraw/zinc/80/68/75/528806875.db2.gz QDJQZSGHZFREIC-HNNXBMFYSA-N 1 3 321.440 2.235 20 0 DEADHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@H](N)c1ccccc1CC ZINC000418443555 528809404 /nfs/dbraw/zinc/80/94/04/528809404.db2.gz LLWJUEBZFYZIJU-HOCLYGCPSA-N 1 3 306.454 2.066 20 0 DEADHO CCC(CC)[C@H](C[NH2+][C@H](C)[C@@H]1CCCCN1)N1CCOCC1 ZINC000422817793 528855303 /nfs/dbraw/zinc/85/53/03/528855303.db2.gz INYKXZSWNCIOCR-NJAFHUGGSA-N 1 3 311.514 2.244 20 0 DEADHO CCN1CCN(Cc2ccc(N[C@H]3CCC[C@@H]3[NH3+])cc2)CC1 ZINC000422916779 529149322 /nfs/dbraw/zinc/14/93/22/529149322.db2.gz FAVOWTBAFZOAPM-ROUUACIJSA-N 1 3 302.466 2.116 20 0 DEADHO CCN1CCN(Cc2ccc(N[C@H]3C[NH2+]CC[C@H]3C)cc2)CC1 ZINC000422920687 529149360 /nfs/dbraw/zinc/14/93/60/529149360.db2.gz MQJQYUNNHNQFDX-APWZRJJASA-N 1 3 316.493 2.234 20 0 DEADHO CCN1CCN(Cc2ccc(N[C@@H](C)CCC[NH3+])cc2)CC1 ZINC000422922692 529149429 /nfs/dbraw/zinc/14/94/29/529149429.db2.gz QOZFQVISXIZBNS-INIZCTEOSA-N 1 3 304.482 2.363 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCC[C@H]([NH2+]C)C1)c1ccco1 ZINC000418167748 529182022 /nfs/dbraw/zinc/18/20/22/529182022.db2.gz NADXWWUPBOKGRO-KKUMJFAQSA-N 1 3 322.453 2.102 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H](C)CCC[NH3+])c1ccco1 ZINC000418169520 529182943 /nfs/dbraw/zinc/18/29/43/529182943.db2.gz QCYPPTNSMYRQJT-MELADBBJSA-N 1 3 310.442 2.135 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000417711619 529200897 /nfs/dbraw/zinc/20/08/97/529200897.db2.gz YKOSBGZLCPKNCR-ZBFHGGJFSA-N 1 3 310.486 2.020 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)CC1 ZINC000191456345 535199400 /nfs/dbraw/zinc/19/94/00/535199400.db2.gz XUJCWTXPPQYILI-KRWDZBQOSA-N 1 3 319.497 2.005 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](c3cc[nH]n3)C2)CC1 ZINC000191456345 535199404 /nfs/dbraw/zinc/19/94/04/535199404.db2.gz XUJCWTXPPQYILI-KRWDZBQOSA-N 1 3 319.497 2.005 20 0 DEADHO CC(C)[C@H](C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)N(C)C ZINC000359241675 535326321 /nfs/dbraw/zinc/32/63/21/535326321.db2.gz HHIJBECWAFEUFR-BZUAXINKSA-N 1 3 311.514 2.445 20 0 DEADHO CCN1CCCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000372764628 535508894 /nfs/dbraw/zinc/50/88/94/535508894.db2.gz GYKFIPRLZKKIAZ-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO CCN1CCCN(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000372764628 535508899 /nfs/dbraw/zinc/50/88/99/535508899.db2.gz GYKFIPRLZKKIAZ-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](N)CC(F)F ZINC000319315760 535610972 /nfs/dbraw/zinc/61/09/72/535610972.db2.gz KLTNFYQCMXOMRQ-CQSZACIVSA-N 1 3 313.392 2.127 20 0 DEADHO CCN(C(=O)CC[NH2+]C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000262380512 535661272 /nfs/dbraw/zinc/66/12/72/535661272.db2.gz MVIFLYBIMQNZNL-DOTOQJQBSA-N 1 3 303.450 2.280 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000449728944 535977466 /nfs/dbraw/zinc/97/74/66/535977466.db2.gz XZKASZLCSGXNRH-OLZOCXBDSA-N 1 3 315.417 2.352 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000377806769 536022668 /nfs/dbraw/zinc/02/26/68/536022668.db2.gz JDBWCOGDMQGDJR-SFHVURJKSA-N 1 3 315.461 2.210 20 0 DEADHO CN(C)Cc1cccc(CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])c1 ZINC000263107205 536033865 /nfs/dbraw/zinc/03/38/65/536033865.db2.gz AAOQKHYCYDAYRX-SJLPKXTDSA-N 1 3 303.450 2.272 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)N(CC)CC ZINC000346295417 536088019 /nfs/dbraw/zinc/08/80/19/536088019.db2.gz CIEQUASRMXKWND-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO C[N@H+](CCCCN[C@H](c1nnc[nH]1)c1ccc(F)cc1)C1CC1 ZINC000453391490 536338818 /nfs/dbraw/zinc/33/88/18/536338818.db2.gz DOFXREFPFLDXRW-INIZCTEOSA-N 1 3 317.412 2.497 20 0 DEADHO C[N@@H+](CCCCN[C@H](c1nnc[nH]1)c1ccc(F)cc1)C1CC1 ZINC000453391490 536338819 /nfs/dbraw/zinc/33/88/19/536338819.db2.gz DOFXREFPFLDXRW-INIZCTEOSA-N 1 3 317.412 2.497 20 0 DEADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000449129062 536407214 /nfs/dbraw/zinc/40/72/14/536407214.db2.gz BFCURDONIWVMLC-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CO[C@@H]1CCN(C/C=C\C[N@@H+]2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000451580081 536679423 /nfs/dbraw/zinc/67/94/23/536679423.db2.gz ZKWOVIOIXZFXLL-JPVWCZMSSA-N 1 3 310.482 2.256 20 0 DEADHO CO[C@@H]1CCN(C/C=C\C[N@H+]2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000451580081 536679428 /nfs/dbraw/zinc/67/94/28/536679428.db2.gz ZKWOVIOIXZFXLL-JPVWCZMSSA-N 1 3 310.482 2.256 20 0 DEADHO CO[C@@H]1CC[N@@H+](C/C=C\CN2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000451580081 536679432 /nfs/dbraw/zinc/67/94/32/536679432.db2.gz ZKWOVIOIXZFXLL-JPVWCZMSSA-N 1 3 310.482 2.256 20 0 DEADHO CO[C@@H]1CC[N@H+](C/C=C\CN2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000451580081 536679435 /nfs/dbraw/zinc/67/94/35/536679435.db2.gz ZKWOVIOIXZFXLL-JPVWCZMSSA-N 1 3 310.482 2.256 20 0 DEADHO CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)CC1(C)C ZINC001425970840 1174545195 /nfs/dbraw/zinc/54/51/95/1174545195.db2.gz KBXUYXLVPOOWJX-HZPDHXFCSA-N 1 3 311.514 2.445 20 0 DEADHO CN(CCn1cnnc1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001414030701 1152532361 /nfs/dbraw/zinc/53/23/61/1152532361.db2.gz BMFCQWIOTWLICR-UHFFFAOYSA-N 1 3 313.449 2.396 20 0 DEADHO Cc1cccc(CN(C)CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001379040817 1152543510 /nfs/dbraw/zinc/54/35/10/1152543510.db2.gz IROMIMJPQFEQIL-SJLPKXTDSA-N 1 3 317.477 2.225 20 0 DEADHO Cc1cccc(CN(C)CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001379040817 1152543511 /nfs/dbraw/zinc/54/35/11/1152543511.db2.gz IROMIMJPQFEQIL-SJLPKXTDSA-N 1 3 317.477 2.225 20 0 DEADHO CCC(CC)C[NH2+]C1CC(N(C)C(=O)CN2CC[C@@H](C)C2)C1 ZINC001426219456 1174655290 /nfs/dbraw/zinc/65/52/90/1174655290.db2.gz QBQBFCVGPPVBSK-ODIFPOPNSA-N 1 3 309.498 2.343 20 0 DEADHO CC1CCN(CC(=O)N(C)CC[N@H+](C)CC2CCCC2)CC1 ZINC001379113952 1152572388 /nfs/dbraw/zinc/57/23/88/1152572388.db2.gz QNSFHGURHHKIJS-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CC1CCN(CC(=O)N(C)CC[N@@H+](C)CC2CCCC2)CC1 ZINC001379113952 1152572391 /nfs/dbraw/zinc/57/23/91/1152572391.db2.gz QNSFHGURHHKIJS-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001368729036 1148621976 /nfs/dbraw/zinc/62/19/76/1148621976.db2.gz VPSUXLPGXGNDQX-JSGCOSHPSA-N 1 3 319.440 2.102 20 0 DEADHO CCc1ccccc1C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001379387721 1152618285 /nfs/dbraw/zinc/61/82/85/1152618285.db2.gz XPHVSKSPDJKNGT-QAPCUYQASA-N 1 3 319.493 2.430 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001379451065 1152626270 /nfs/dbraw/zinc/62/62/70/1152626270.db2.gz MYMYGWVFQAMNCH-CZUORRHYSA-N 1 3 309.429 2.069 20 0 DEADHO Cc1cccc(Cl)c1CNC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001379460238 1152627898 /nfs/dbraw/zinc/62/78/98/1152627898.db2.gz LXUYQKRYVOWGPV-KGLIPLIRSA-N 1 3 323.868 2.194 20 0 DEADHO Cc1cccc(Cl)c1CNC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379460238 1152627899 /nfs/dbraw/zinc/62/78/99/1152627899.db2.gz LXUYQKRYVOWGPV-KGLIPLIRSA-N 1 3 323.868 2.194 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001379551594 1152641117 /nfs/dbraw/zinc/64/11/17/1152641117.db2.gz ODNSKURFALCBGX-WMLDXEAASA-N 1 3 323.456 2.337 20 0 DEADHO CC[C@H](F)CN1CC[C@@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001368825066 1148693413 /nfs/dbraw/zinc/69/34/13/1148693413.db2.gz HNWXQYHTWBAQTB-LSDHHAIUSA-N 1 3 315.477 2.293 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]([NH2+]CC1CC1)C(C)C ZINC001382042365 1153329691 /nfs/dbraw/zinc/32/96/91/1153329691.db2.gz BRPZJKDSGRFPJT-SJORKVTESA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccsc1 ZINC001382125520 1153368267 /nfs/dbraw/zinc/36/82/67/1153368267.db2.gz PZSYSLIPVPLKOI-ZIAGYGMSSA-N 1 3 309.479 2.026 20 0 DEADHO CCN1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000969680435 622879515 /nfs/dbraw/zinc/87/95/15/622879515.db2.gz LSKHICXBPSRYOD-LSDHHAIUSA-N 1 3 307.482 2.097 20 0 DEADHO CCN1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000969680435 622879523 /nfs/dbraw/zinc/87/95/23/622879523.db2.gz LSKHICXBPSRYOD-LSDHHAIUSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001020590379 622927771 /nfs/dbraw/zinc/92/77/71/622927771.db2.gz UQGRFUZRCYQYDI-DJIMGWMZSA-N 1 3 307.482 2.145 20 0 DEADHO Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c1 ZINC000969947787 623013276 /nfs/dbraw/zinc/01/32/76/623013276.db2.gz HLAFBNVDANHPKE-SJLPKXTDSA-N 1 3 315.461 2.170 20 0 DEADHO CC(C)[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001024186089 625661059 /nfs/dbraw/zinc/66/10/59/625661059.db2.gz KUTFRARYYIROMA-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC000970799678 623686897 /nfs/dbraw/zinc/68/68/97/623686897.db2.gz GOVXTTRHLOZTNO-CVEARBPZSA-N 1 3 321.490 2.313 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H]([N@H+](C)CC3CC(C)(C)C3)C2)CCC1 ZINC000971674511 624499309 /nfs/dbraw/zinc/49/93/09/624499309.db2.gz UGODMMDHMPVMOH-MRXNPFEDSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H]([N@@H+](C)CC3CC(C)(C)C3)C2)CCC1 ZINC000971674511 624499310 /nfs/dbraw/zinc/49/93/10/624499310.db2.gz UGODMMDHMPVMOH-MRXNPFEDSA-N 1 3 321.509 2.440 20 0 DEADHO CCN(C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C)[C@H]1CC[NH2+]C1 ZINC000891894769 624649643 /nfs/dbraw/zinc/64/96/43/624649643.db2.gz RZTJXLRKKPDHFQ-PVAVHDDUSA-N 1 3 318.465 2.071 20 0 DEADHO COc1ccc(CN2CCC(N3CC[NH+](C(C)C)CC3)CC2)o1 ZINC000892194623 624836826 /nfs/dbraw/zinc/83/68/26/624836826.db2.gz WDORKZKXUKWBNC-UHFFFAOYSA-N 1 3 321.465 2.279 20 0 DEADHO CC1CCC(C[N@H+](C)[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC000972429429 625073448 /nfs/dbraw/zinc/07/34/48/625073448.db2.gz GLQXQHCSKZSDMQ-DQPZFDDXSA-N 1 3 318.465 2.311 20 0 DEADHO CC1CCC(C[N@@H+](C)[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC000972429429 625073458 /nfs/dbraw/zinc/07/34/58/625073458.db2.gz GLQXQHCSKZSDMQ-DQPZFDDXSA-N 1 3 318.465 2.311 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001023024605 625138279 /nfs/dbraw/zinc/13/82/79/625138279.db2.gz AXUQPNWOYADBAN-IYBDPMFKSA-N 1 3 318.465 2.468 20 0 DEADHO CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001023364556 625239388 /nfs/dbraw/zinc/23/93/88/625239388.db2.gz LJMPTTPBISWHJT-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001023364556 625239390 /nfs/dbraw/zinc/23/93/90/625239390.db2.gz LJMPTTPBISWHJT-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]12 ZINC001026268477 625240986 /nfs/dbraw/zinc/24/09/86/625240986.db2.gz ZWRRFRZFQMDYFY-IXDOHACOSA-N 1 3 321.509 2.486 20 0 DEADHO CN(CC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CC3CCC3)[C@H]2C1)C1CCC1 ZINC001026285204 625262096 /nfs/dbraw/zinc/26/20/96/625262096.db2.gz YCKFJHVZRBAKFE-RYQLBKOJSA-N 1 3 319.493 2.097 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2CC2)C1 ZINC001027694191 634448631 /nfs/dbraw/zinc/44/86/31/634448631.db2.gz TZMMSXYYGKXZTN-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2CC2)C1 ZINC001027694191 634448633 /nfs/dbraw/zinc/44/86/33/634448633.db2.gz TZMMSXYYGKXZTN-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO [NH3+]CCC[C@H](NCc1nnc(-c2ccncc2)[nH]1)c1ccccc1 ZINC000925693582 625733470 /nfs/dbraw/zinc/73/34/70/625733470.db2.gz SQININLJUQMRDW-INIZCTEOSA-N 1 3 322.416 2.437 20 0 DEADHO COC(=O)[C@@H]1CCCC[C@@H]1CN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000931317175 625746401 /nfs/dbraw/zinc/74/64/01/625746401.db2.gz NJFZRAFHXCWTKZ-AHCXZYCDSA-N 1 3 308.466 2.239 20 0 DEADHO COC(=O)[C@@H]1CCCC[C@@H]1CN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000931317175 625746405 /nfs/dbraw/zinc/74/64/05/625746405.db2.gz NJFZRAFHXCWTKZ-AHCXZYCDSA-N 1 3 308.466 2.239 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCCF ZINC001024468146 625795377 /nfs/dbraw/zinc/79/53/77/625795377.db2.gz IPMHSAGYGLCOHF-HZPDHXFCSA-N 1 3 313.461 2.191 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCCF ZINC001024468146 625795384 /nfs/dbraw/zinc/79/53/84/625795384.db2.gz IPMHSAGYGLCOHF-HZPDHXFCSA-N 1 3 313.461 2.191 20 0 DEADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001019775977 625833238 /nfs/dbraw/zinc/83/32/38/625833238.db2.gz PQPWLAYIIACDCD-KRWDZBQOSA-N 1 3 307.482 2.243 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC2CCCC2)C1)C1CC1 ZINC000999372223 634578193 /nfs/dbraw/zinc/57/81/93/634578193.db2.gz OPCGLCGQKAOKHI-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC([NH2+]CC2CCCC2)C1 ZINC000999409893 634586016 /nfs/dbraw/zinc/58/60/16/634586016.db2.gz UPRCIUIILSRKGL-UHFFFAOYSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001000219929 634798777 /nfs/dbraw/zinc/79/87/77/634798777.db2.gz QMFPBDPMVKSRJE-IRXDYDNUSA-N 1 3 321.440 2.247 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C)cc2)C1)N(C)C ZINC001000228391 634803182 /nfs/dbraw/zinc/80/31/82/634803182.db2.gz SQKCOVUJAUWIHS-MSOLQXFVSA-N 1 3 317.477 2.416 20 0 DEADHO CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)CC1(C)C ZINC000996379072 633250377 /nfs/dbraw/zinc/25/03/77/633250377.db2.gz JYFHNHYMRIZLBI-HZPDHXFCSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC000996379329 633251080 /nfs/dbraw/zinc/25/10/80/633251080.db2.gz KVHUCSISMKJXBZ-IAGOWNOFSA-N 1 3 321.509 2.486 20 0 DEADHO C[C@H](C(=O)N1C[C@@H]([NH2+]CC2CC2)C(C)(C)C1)N1CCCCCC1 ZINC000996381351 633251199 /nfs/dbraw/zinc/25/11/99/633251199.db2.gz UVMZIUQQNKIEIV-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO CN(CC(=O)N1CCC([NH2+]Cc2ccsc2)CC1)C1CCC1 ZINC000996673713 633342313 /nfs/dbraw/zinc/34/23/13/633342313.db2.gz WTIPXLRKUJQFTF-UHFFFAOYSA-N 1 3 321.490 2.313 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001027064018 633385189 /nfs/dbraw/zinc/38/51/89/633385189.db2.gz XKMCVCDAUKGVPP-SJLPKXTDSA-N 1 3 321.509 2.489 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccccc2)CC1 ZINC000997607929 633898930 /nfs/dbraw/zinc/89/89/30/633898930.db2.gz ROLJSNYBNRKTGZ-GOSISDBHSA-N 1 3 315.461 2.109 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC(C[NH2+]CC2CCCC2)CC1)C1CC1 ZINC000997829611 634002892 /nfs/dbraw/zinc/00/28/92/634002892.db2.gz BBTORMDMMQDVKJ-GOSISDBHSA-N 1 3 321.509 2.345 20 0 DEADHO CC1(C)CCN(CC(=O)N2CCC(C[NH2+]CC3CCC3)CC2)C1 ZINC000998081595 634134660 /nfs/dbraw/zinc/13/46/60/634134660.db2.gz KIXHFIYDIKSELD-UHFFFAOYSA-N 1 3 321.509 2.347 20 0 DEADHO CC(C)[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C[C@H]2C1 ZINC000980144381 634860764 /nfs/dbraw/zinc/86/07/64/634860764.db2.gz AAAFGBNVODLFBX-ULQDDVLXSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C[C@H]2C1 ZINC000980144381 634860767 /nfs/dbraw/zinc/86/07/67/634860767.db2.gz AAAFGBNVODLFBX-ULQDDVLXSA-N 1 3 321.509 2.486 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCC2CC2)C1 ZINC000980486595 635018429 /nfs/dbraw/zinc/01/84/29/635018429.db2.gz USHPTIAMLAPZGE-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCC2CC2)C1 ZINC000980486595 635018433 /nfs/dbraw/zinc/01/84/33/635018433.db2.gz USHPTIAMLAPZGE-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1C[C@H](C[NH2+]CC2CCC2)CN1C(=O)CN(C)C1CCC1 ZINC000980608041 635061675 /nfs/dbraw/zinc/06/16/75/635061675.db2.gz YLWWGHOQIJFEES-GOEBONIOSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1C[C@@H](C[NH2+]Cc2ccsc2)CN1C(=O)Cc1c[nH]cn1 ZINC000980709371 635109104 /nfs/dbraw/zinc/10/91/04/635109104.db2.gz WQOOOSDGBSVETB-JSGCOSHPSA-N 1 3 318.446 2.041 20 0 DEADHO C[C@@H]1C[C@@H](C[NH2+]CC2CCCC2)CN1C(=O)CN1CCCC1 ZINC000980802385 635160018 /nfs/dbraw/zinc/16/00/18/635160018.db2.gz YOJWWOHAZZWPAW-WBVHZDCISA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN1CCCF ZINC001027986443 635165596 /nfs/dbraw/zinc/16/55/96/635165596.db2.gz XCGTWBLDMXMFCY-HZPDHXFCSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN1CCCF ZINC001027986443 635165598 /nfs/dbraw/zinc/16/55/98/635165598.db2.gz XCGTWBLDMXMFCY-HZPDHXFCSA-N 1 3 313.461 2.047 20 0 DEADHO CCCC[N@H+]1CC=C(CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001000677305 635273134 /nfs/dbraw/zinc/27/31/34/635273134.db2.gz HJFWJHBRXDZFGC-QGZVFWFLSA-N 1 3 307.482 2.408 20 0 DEADHO CCCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001000677305 635273137 /nfs/dbraw/zinc/27/31/37/635273137.db2.gz HJFWJHBRXDZFGC-QGZVFWFLSA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCC1=CC[N@H+](CC2CCC2)CC1 ZINC001000680206 635274936 /nfs/dbraw/zinc/27/49/36/635274936.db2.gz SSZJZUIIYWHPRP-GOSISDBHSA-N 1 3 319.493 2.408 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCC1=CC[N@@H+](CC2CCC2)CC1 ZINC001000680206 635274942 /nfs/dbraw/zinc/27/49/42/635274942.db2.gz SSZJZUIIYWHPRP-GOSISDBHSA-N 1 3 319.493 2.408 20 0 DEADHO CC(C)(C(=O)N[C@H]1CCC[C@H]([NH2+]CCF)C1)N1CCCCC1 ZINC000981090479 635305211 /nfs/dbraw/zinc/30/52/11/635305211.db2.gz CQGQSGQYVONLMS-GJZGRUSLSA-N 1 3 313.461 2.237 20 0 DEADHO O=C(CN1CCCC1)N1CCC[C@H]([NH2+]Cc2ccccc2F)C1 ZINC001000920185 635350908 /nfs/dbraw/zinc/35/09/08/635350908.db2.gz PABQLQWCONLDOC-INIZCTEOSA-N 1 3 319.424 2.002 20 0 DEADHO CC[NH+](CC)CCOCCNCc1nccc2c1CCCC2 ZINC000921992006 635792418 /nfs/dbraw/zinc/79/24/18/635792418.db2.gz XUZUOXXRKHSPKN-UHFFFAOYSA-N 1 3 305.466 2.408 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC1CC[NH+](CC[C@H](C)F)CC1 ZINC001002792451 635799778 /nfs/dbraw/zinc/79/97/78/635799778.db2.gz OKWCZOFPYOEALQ-GOEBONIOSA-N 1 3 313.461 2.188 20 0 DEADHO CC(C)(C)CC[N@@H+]1CCCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000982036870 635836036 /nfs/dbraw/zinc/83/60/36/635836036.db2.gz QYHVMPZSOCYKEY-UHFFFAOYSA-N 1 3 318.465 2.313 20 0 DEADHO CC(C)(C)CC[N@H+]1CCCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000982036870 635836042 /nfs/dbraw/zinc/83/60/42/635836042.db2.gz QYHVMPZSOCYKEY-UHFFFAOYSA-N 1 3 318.465 2.313 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC1CC[NH+](CCC2CC2)CC1 ZINC001002956057 635860383 /nfs/dbraw/zinc/86/03/83/635860383.db2.gz OWKXMPDOMFWZLE-QGZVFWFLSA-N 1 3 307.482 2.242 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CC1CC1)C2 ZINC000982163807 635890117 /nfs/dbraw/zinc/89/01/17/635890117.db2.gz TUZTZSTWVDDKLR-KRWDZBQOSA-N 1 3 319.493 2.195 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000982163807 635890121 /nfs/dbraw/zinc/89/01/21/635890121.db2.gz TUZTZSTWVDDKLR-KRWDZBQOSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(F)cc(F)c1 ZINC000925850860 635950003 /nfs/dbraw/zinc/95/00/03/635950003.db2.gz CKNJENONKGQJKQ-XHDPSFHLSA-N 1 3 324.371 2.301 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001028536340 636328601 /nfs/dbraw/zinc/32/86/01/636328601.db2.gz AFSPPMUBQZSOTL-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001028536340 636328604 /nfs/dbraw/zinc/32/86/04/636328604.db2.gz AFSPPMUBQZSOTL-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO C[NH+]1CCC(C(=O)N(CCN2CCCC2)c2ccccc2)CC1 ZINC000073906692 636563492 /nfs/dbraw/zinc/56/34/92/636563492.db2.gz RUKMSRUVODGVDH-UHFFFAOYSA-N 1 3 315.461 2.457 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC(C)(C)/C=C\Cl ZINC000923199953 637028458 /nfs/dbraw/zinc/02/84/58/637028458.db2.gz ZIIPHCZNBHXYOL-YXVBKTCISA-N 1 3 318.893 2.089 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC(C)(C)/C=C\Cl ZINC000923199953 637028462 /nfs/dbraw/zinc/02/84/62/637028462.db2.gz ZIIPHCZNBHXYOL-YXVBKTCISA-N 1 3 318.893 2.089 20 0 DEADHO CCOc1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)o1 ZINC000894454266 637044615 /nfs/dbraw/zinc/04/46/15/637044615.db2.gz QTXNQDSONQNJFJ-UHFFFAOYSA-N 1 3 309.454 2.136 20 0 DEADHO CC[C@H](C)C[NH+]1CCC(N(C)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001005991482 637046438 /nfs/dbraw/zinc/04/64/38/637046438.db2.gz MUKPFFUCMLZDQF-JKSUJKDBSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H]1CCCN1CC(=O)N(C)C1CC[NH+](CC2CCC2)CC1 ZINC001005990950 637050523 /nfs/dbraw/zinc/05/05/23/637050523.db2.gz KHJKKSJGCHQEMQ-HNNXBMFYSA-N 1 3 307.482 2.194 20 0 DEADHO CCCN(C[C@H](O)COc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000923327838 637111297 /nfs/dbraw/zinc/11/12/97/637111297.db2.gz RRGIPPLNGYWKRY-INIZCTEOSA-N 1 3 310.413 2.029 20 0 DEADHO CCC[N@H+](C[C@H](O)COc1ccc(F)cc1)C1CCNCC1 ZINC000923327838 637111300 /nfs/dbraw/zinc/11/13/00/637111300.db2.gz RRGIPPLNGYWKRY-INIZCTEOSA-N 1 3 310.413 2.029 20 0 DEADHO CCC[N@@H+](C[C@H](O)COc1ccc(F)cc1)C1CCNCC1 ZINC000923327838 637111302 /nfs/dbraw/zinc/11/13/02/637111302.db2.gz RRGIPPLNGYWKRY-INIZCTEOSA-N 1 3 310.413 2.029 20 0 DEADHO Cc1ccc(Cl)c(OC[C@H](O)CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000923330970 637113144 /nfs/dbraw/zinc/11/31/44/637113144.db2.gz DVUPOOCUEAGWIC-NHIYQJMISA-N 1 3 324.852 2.057 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)CN2CC[C@H]([C@@H](C)[NH3+])C2)c1C ZINC000923333534 637119788 /nfs/dbraw/zinc/11/97/88/637119788.db2.gz XQMKQQHPDMDDGR-IXDOHACOSA-N 1 3 306.450 2.021 20 0 DEADHO O[C@H](CN1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccc(F)c(F)c1 ZINC000923356023 637135760 /nfs/dbraw/zinc/13/57/60/637135760.db2.gz DOGUMHPJAOZNJT-RHSMWYFYSA-N 1 3 310.388 2.320 20 0 DEADHO O[C@@H](CN1CCC([C@H]2CCC[NH2+]2)CC1)c1ccc(F)c(F)c1 ZINC000923364046 637136886 /nfs/dbraw/zinc/13/68/86/637136886.db2.gz GEUCPIZDMVWJTI-SJORKVTESA-N 1 3 310.388 2.462 20 0 DEADHO Cc1ccccc1OC[C@H](O)CN[C@H](C[NH3+])C1CCCCC1 ZINC000923371597 637141880 /nfs/dbraw/zinc/14/18/80/637141880.db2.gz BXVIKOHJMDNPKX-IAGOWNOFSA-N 1 3 306.450 2.232 20 0 DEADHO Cc1ccccc1OC[C@@H](O)CN[C@@H](C[NH3+])C1CCCCC1 ZINC000923371598 637141888 /nfs/dbraw/zinc/14/18/88/637141888.db2.gz BXVIKOHJMDNPKX-IRXDYDNUSA-N 1 3 306.450 2.232 20 0 DEADHO CCc1onc(C)c1CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000923375523 637145607 /nfs/dbraw/zinc/14/56/07/637145607.db2.gz NUEVSWYDVPFIGC-NVXWUHKLSA-N 1 3 307.438 2.264 20 0 DEADHO Cc1cccc(OC[C@H](O)CN2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000923381085 637148818 /nfs/dbraw/zinc/14/88/18/637148818.db2.gz BHCSVAGEQLXQJQ-WCXIOVBPSA-N 1 3 306.450 2.040 20 0 DEADHO C[C@@H]1CN(C[C@@H](O)Cc2ccccc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000923410387 637164377 /nfs/dbraw/zinc/16/43/77/637164377.db2.gz GKLYIKNWSSEMOJ-BNOWGMLFSA-N 1 3 316.367 2.135 20 0 DEADHO CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCCN3CC)CC[C@@H]2C1 ZINC000946905007 637197308 /nfs/dbraw/zinc/19/73/08/637197308.db2.gz YBFHUJMSFNNDPH-KSZLIROESA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCCN3CC)CC[C@@H]2C1 ZINC000946905007 637197312 /nfs/dbraw/zinc/19/73/12/637197312.db2.gz YBFHUJMSFNNDPH-KSZLIROESA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCCN3CC)CC[C@@H]2C1 ZINC000946905006 637197504 /nfs/dbraw/zinc/19/75/04/637197504.db2.gz YBFHUJMSFNNDPH-FGTMMUONSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCCN3CC)CC[C@@H]2C1 ZINC000946905006 637197507 /nfs/dbraw/zinc/19/75/07/637197507.db2.gz YBFHUJMSFNNDPH-FGTMMUONSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[C@H](NC(=O)CN1CC[C@@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000923486443 637200228 /nfs/dbraw/zinc/20/02/28/637200228.db2.gz GNXABJSGXACERB-KDOFPFPSSA-N 1 3 321.440 2.310 20 0 DEADHO CSc1cccc(NC(=O)[C@@H](C)N2CC[C@@H](CC[NH3+])C2)c1 ZINC000923486934 637201646 /nfs/dbraw/zinc/20/16/46/637201646.db2.gz VTWXFKGIXSCUAK-CHWSQXEVSA-N 1 3 307.463 2.406 20 0 DEADHO [NH3+]CC[C@@H]1CCN(C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000923480006 637202790 /nfs/dbraw/zinc/20/27/90/637202790.db2.gz TYVJZVSWDIOHQX-BXUZGUMPSA-N 1 3 302.340 2.410 20 0 DEADHO C[C@H](CNC(=O)[C@H](C)N1CC[C@@H](C[NH3+])[C@@H](C)C1)c1ccccc1 ZINC000923498273 637214917 /nfs/dbraw/zinc/21/49/17/637214917.db2.gz HCJTYZBSTSQDHR-CVYDXHPNSA-N 1 3 317.477 2.212 20 0 DEADHO C[C@H](NC(=O)[C@H](C)N1CC[C@H](C[NH3+])[C@@H](C)C1)c1ccc(F)cc1 ZINC000923505087 637220072 /nfs/dbraw/zinc/22/00/72/637220072.db2.gz XYALVUJOCQVACJ-RZLSGREXSA-N 1 3 321.440 2.308 20 0 DEADHO CC(C)N(C)C(=O)[C@H](C)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923506515 637221012 /nfs/dbraw/zinc/22/10/12/637221012.db2.gz XPKVPEIALKILRT-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1c(F)cccc1NC(=O)CCN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923517178 637225911 /nfs/dbraw/zinc/22/59/11/637225911.db2.gz AZMLOZNXXTWBAW-UONOGXRCSA-N 1 3 305.397 2.004 20 0 DEADHO C[C@@H]([NH2+]CC1CCC1)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001029107122 637239144 /nfs/dbraw/zinc/23/91/44/637239144.db2.gz HWWGNJCKQCOKFU-OAHLLOKOSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](CC[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)N(C)C ZINC000895291499 637891846 /nfs/dbraw/zinc/89/18/46/637891846.db2.gz FNBVOKZCHUCXTC-TUBUQKNSSA-N 1 3 311.470 2.316 20 0 DEADHO C[C@H](CCNCC12CC(C1)CN2C(=O)OC(C)(C)C)[NH+](C)C ZINC000895291499 637891850 /nfs/dbraw/zinc/89/18/50/637891850.db2.gz FNBVOKZCHUCXTC-TUBUQKNSSA-N 1 3 311.470 2.316 20 0 DEADHO C[C@H]([NH2+][C@@H]1C(=O)NCC1(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000895324634 637930939 /nfs/dbraw/zinc/93/09/39/637930939.db2.gz QXQBJLHSTQJOIZ-BHYGNILZSA-N 1 3 315.461 2.011 20 0 DEADHO COC(=O)[C@@H]1[C@H](CN(C)CCCC[NH+]2CCCCC2)C1(F)F ZINC000895683448 638149565 /nfs/dbraw/zinc/14/95/65/638149565.db2.gz LQSWZSFADXXBFU-KBPBESRZSA-N 1 3 318.408 2.239 20 0 DEADHO CCO/C=C\[C@](O)(C[NH2+][C@H]1CCN(C)C(C)(C)C1)C(F)(F)F ZINC000895717989 638162325 /nfs/dbraw/zinc/16/23/25/638162325.db2.gz PQXQHSGUSMPQCT-LNLLFRAXSA-N 1 3 324.387 2.292 20 0 DEADHO Cc1nn(C)c2ncc(CNCc3ccc(CC[NH3+])cc3)cc12 ZINC000841032032 650409245 /nfs/dbraw/zinc/40/92/45/650409245.db2.gz HBJRPUMIWXLASL-UHFFFAOYSA-N 1 3 309.417 2.068 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCN(C3CC3)C2)[C@@H]1c1ccccc1 ZINC000895880118 638241733 /nfs/dbraw/zinc/24/17/33/638241733.db2.gz OREGAFCTALOYHY-SZMVWBNQSA-N 1 3 313.445 2.032 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(C3CC3)C2)[C@@H]1c1ccccc1 ZINC000895880118 638241736 /nfs/dbraw/zinc/24/17/36/638241736.db2.gz OREGAFCTALOYHY-SZMVWBNQSA-N 1 3 313.445 2.032 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](C)CC2CCCC2)CC1 ZINC000985332677 639290224 /nfs/dbraw/zinc/29/02/24/639290224.db2.gz RMNAAINWWRTBHN-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CC2CCCC2)CC1 ZINC000985332677 639290225 /nfs/dbraw/zinc/29/02/25/639290225.db2.gz RMNAAINWWRTBHN-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CC(C)(C)C2)C1 ZINC001029674424 639411388 /nfs/dbraw/zinc/41/13/88/639411388.db2.gz GGCLPVPDZLXCCZ-RDJZCZTQSA-N 1 3 321.509 2.297 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001029674424 639411390 /nfs/dbraw/zinc/41/13/90/639411390.db2.gz GGCLPVPDZLXCCZ-RDJZCZTQSA-N 1 3 321.509 2.297 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CC(C)(C)C2)C1 ZINC001029674420 639411543 /nfs/dbraw/zinc/41/15/43/639411543.db2.gz GGCLPVPDZLXCCZ-DOTOQJQBSA-N 1 3 321.509 2.297 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001029674420 639411549 /nfs/dbraw/zinc/41/15/49/639411549.db2.gz GGCLPVPDZLXCCZ-DOTOQJQBSA-N 1 3 321.509 2.297 20 0 DEADHO C[N@H+](C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)CC1CCCCC1 ZINC001029853339 639572628 /nfs/dbraw/zinc/57/26/28/639572628.db2.gz NMMSGDIOYMAYOJ-MRXNPFEDSA-N 1 3 318.465 2.313 20 0 DEADHO C[N@@H+](C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)CC1CCCCC1 ZINC001029853339 639572635 /nfs/dbraw/zinc/57/26/35/639572635.db2.gz NMMSGDIOYMAYOJ-MRXNPFEDSA-N 1 3 318.465 2.313 20 0 DEADHO C[N@H+](CC1CC(C)(C)C1)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029853621 639574262 /nfs/dbraw/zinc/57/42/62/639574262.db2.gz OPPSIHLOYODAGZ-AWEZNQCLSA-N 1 3 318.465 2.169 20 0 DEADHO C[N@@H+](CC1CC(C)(C)C1)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029853621 639574265 /nfs/dbraw/zinc/57/42/65/639574265.db2.gz OPPSIHLOYODAGZ-AWEZNQCLSA-N 1 3 318.465 2.169 20 0 DEADHO C[C@H](CC[NH2+][C@H]1C(=O)NCC1(C)C)N(C)Cc1ccccc1 ZINC000925208829 639591967 /nfs/dbraw/zinc/59/19/67/639591967.db2.gz RMQUUVJCAFOXEJ-ZBFHGGJFSA-N 1 3 303.450 2.011 20 0 DEADHO C[C@H]1[C@@H]([NH2+]Cc2ccsc2)CCN1C(=O)CN(C)C1CCC1 ZINC000986354469 639885225 /nfs/dbraw/zinc/88/52/25/639885225.db2.gz KBVFFMGMRLFUKL-BBRMVZONSA-N 1 3 321.490 2.311 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CC2CCCCC2)CCN1C(=O)CN1CCCC1 ZINC000987534711 640214493 /nfs/dbraw/zinc/21/44/93/640214493.db2.gz WEYXQINMPMHHSW-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc(Cl)n1 ZINC000841849081 650578702 /nfs/dbraw/zinc/57/87/02/650578702.db2.gz PHHHNYXTNFNISC-MRVWCRGKSA-N 1 3 324.856 2.067 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)N2CCCC[C@H]2CC[NH3+])cc(Cl)n1 ZINC000841851642 650580039 /nfs/dbraw/zinc/58/00/39/650580039.db2.gz RVTAUVDIYGJBDF-KBPBESRZSA-N 1 3 324.856 2.163 20 0 DEADHO Cc1cc([C@H](N)CC(=O)NCCC[C@H]2CCC[NH2+]2)cc(Cl)n1 ZINC000841853232 650580234 /nfs/dbraw/zinc/58/02/34/650580234.db2.gz YHZLBOGFFCNWLI-ZIAGYGMSSA-N 1 3 324.856 2.082 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC2CCCCC2)CN1C(=O)Cc1c[nH]cn1 ZINC000989493056 641123942 /nfs/dbraw/zinc/12/39/42/641123942.db2.gz QTNRQNGGDXNJGV-CZUORRHYSA-N 1 3 304.438 2.112 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001014395318 641139333 /nfs/dbraw/zinc/13/93/33/641139333.db2.gz IQABITQBCWSGFV-IAGOWNOFSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001014395318 641139336 /nfs/dbraw/zinc/13/93/36/641139336.db2.gz IQABITQBCWSGFV-IAGOWNOFSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001014395335 641139594 /nfs/dbraw/zinc/13/95/94/641139594.db2.gz IQABITQBCWSGFV-SJORKVTESA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001014395335 641139596 /nfs/dbraw/zinc/13/95/96/641139596.db2.gz IQABITQBCWSGFV-SJORKVTESA-N 1 3 321.509 2.486 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H]2CCOC23CCCCC3)CC1 ZINC000924658811 641549246 /nfs/dbraw/zinc/54/92/46/641549246.db2.gz MVSKSPLEXFHCMM-QGZVFWFLSA-N 1 3 309.498 2.095 20 0 DEADHO CC(C)CCN1CCC([NH2+]C[C@@H](O)COCC(C)C)CC1 ZINC000924760005 642122832 /nfs/dbraw/zinc/12/28/32/642122832.db2.gz JSHPROJCFXZHOQ-QGZVFWFLSA-N 1 3 300.487 2.120 20 0 DEADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCCSC3)cc2)CC1 ZINC000783504956 643012722 /nfs/dbraw/zinc/01/27/22/643012722.db2.gz PIYBXWOUVRSWJR-GOSISDBHSA-N 1 3 319.518 2.419 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H](c2ccccn2)C2CC2)CC1 ZINC000903065047 643235472 /nfs/dbraw/zinc/23/54/72/643235472.db2.gz GEZBBLMAGGSWEM-SFHVURJKSA-N 1 3 302.466 2.150 20 0 DEADHO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000903073794 643248080 /nfs/dbraw/zinc/24/80/80/643248080.db2.gz KTNLTYTXXUAQLJ-RTBURBONSA-N 1 3 317.477 2.091 20 0 DEADHO CN(C)C(=O)C1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCCC1 ZINC000903096478 643254450 /nfs/dbraw/zinc/25/44/50/643254450.db2.gz DGOZBHKCFVYJHI-ZXFUBFMLSA-N 1 3 319.493 2.382 20 0 DEADHO CN(C)C(=O)C1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCCC1 ZINC000903096478 643254453 /nfs/dbraw/zinc/25/44/53/643254453.db2.gz DGOZBHKCFVYJHI-ZXFUBFMLSA-N 1 3 319.493 2.382 20 0 DEADHO C[S@](=O)[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C2CC2)C1 ZINC000903198815 643283520 /nfs/dbraw/zinc/28/35/20/643283520.db2.gz GRDVNIWHNOKJSB-NJVHJTNOSA-N 1 3 310.507 2.424 20 0 DEADHO CO[C@@H]1CCOC[C@H]1N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000903299520 643309718 /nfs/dbraw/zinc/30/97/18/643309718.db2.gz NRDAFEVSRFVSHT-BMGDILEWSA-N 1 3 322.449 2.082 20 0 DEADHO CCc1ccc(C(=O)N2CCN(C[C@@H]3CC[C@H]([NH3+])C3)CC2)cc1 ZINC000903431478 643346464 /nfs/dbraw/zinc/34/64/64/643346464.db2.gz WCYNNTFTOYSZFI-AEFFLSMTSA-N 1 3 315.461 2.134 20 0 DEADHO C[C@@H]1C[C@H]1c1noc(CC2CCN(C[C@@H]3C[NH2+]C[C@H]3C)CC2)n1 ZINC000903460784 643352516 /nfs/dbraw/zinc/35/25/16/643352516.db2.gz HZZXVTKNOGZLTD-LUYZLQTOSA-N 1 3 318.465 2.303 20 0 DEADHO ClC(Cl)=CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903505620 643367210 /nfs/dbraw/zinc/36/72/10/643367210.db2.gz FGYBXYUTMVMBNA-BETUJISGSA-N 1 3 304.265 2.206 20 0 DEADHO ClC(Cl)=CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903505620 643367212 /nfs/dbraw/zinc/36/72/12/643367212.db2.gz FGYBXYUTMVMBNA-BETUJISGSA-N 1 3 304.265 2.206 20 0 DEADHO C[C@@H]1CN(CC(=O)N2c3ccccc3CC[C@H]2C)C[C@H]1CC[NH3+] ZINC000903496273 643371818 /nfs/dbraw/zinc/37/18/18/643371818.db2.gz HRVMYARERUAODA-BFYDXBDKSA-N 1 3 315.461 2.271 20 0 DEADHO Cc1ccccc1OCCN(C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718143 643438147 /nfs/dbraw/zinc/43/81/47/643438147.db2.gz HKRHZIQRJSKKJQ-KRWDZBQOSA-N 1 3 318.461 2.464 20 0 DEADHO c1cc(C2CCN(C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)no1 ZINC000903766366 643453655 /nfs/dbraw/zinc/45/36/55/643453655.db2.gz PQRNBNBJWPCCTK-OAHLLOKOSA-N 1 3 305.422 2.013 20 0 DEADHO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C[C@H](N)CC(F)F ZINC000903872877 643492805 /nfs/dbraw/zinc/49/28/05/643492805.db2.gz KTEJCIJDYLVZKD-WCQYABFASA-N 1 3 309.364 2.243 20 0 DEADHO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)C[C@H](N)CC(F)F ZINC000903872877 643492808 /nfs/dbraw/zinc/49/28/08/643492808.db2.gz KTEJCIJDYLVZKD-WCQYABFASA-N 1 3 309.364 2.243 20 0 DEADHO CC(C)(C)CC(=O)N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903880009 643495179 /nfs/dbraw/zinc/49/51/79/643495179.db2.gz MJEXVMNAQLWAEM-MQVJKMGUSA-N 1 3 307.482 2.097 20 0 DEADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN1CC[C@H](c2ccccc2)C1 ZINC000903884041 643495853 /nfs/dbraw/zinc/49/58/53/643495853.db2.gz PVDBZJXMVKTKDK-IRXDYDNUSA-N 1 3 311.433 2.192 20 0 DEADHO CC1(C)CN=C(N2CCN(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)S1 ZINC000903886425 643497620 /nfs/dbraw/zinc/49/76/20/643497620.db2.gz SGDVCMBZHCAIMV-GOOCMWNKSA-N 1 3 322.522 2.016 20 0 DEADHO Cc1c(C[C@H](CN)C[NH2+][C@H]2C[C@@H]2C2CCCCC2)cnn1C ZINC000903925610 643510104 /nfs/dbraw/zinc/51/01/04/643510104.db2.gz HGBBREYWRSHSBY-OLMNPRSZSA-N 1 3 304.482 2.404 20 0 DEADHO COC(=O)COc1c(C)cc(CNCCC(C)(C)[NH3+])cc1C ZINC000903938816 643516790 /nfs/dbraw/zinc/51/67/90/643516790.db2.gz LONYAWYKAIJRNY-UHFFFAOYSA-N 1 3 308.422 2.072 20 0 DEADHO CCN(CC1CC[NH+](C)CC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000788480538 643615115 /nfs/dbraw/zinc/61/51/15/643615115.db2.gz LCEYZDBBMKWALL-GOSISDBHSA-N 1 3 315.461 2.456 20 0 DEADHO CC(C)(C)CC[C@@H](N)C[NH2+]C[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000904367452 643646573 /nfs/dbraw/zinc/64/65/73/643646573.db2.gz BAIJUYFCSHENKZ-GOEBONIOSA-N 1 3 323.456 2.213 20 0 DEADHO COc1cccc(CN2CCC3(CO[C@H](C[NH3+])C3)CC2)c1OC ZINC000904388968 643651393 /nfs/dbraw/zinc/65/13/93/643651393.db2.gz FSKKPXMAYJXXOK-HNNXBMFYSA-N 1 3 320.433 2.034 20 0 DEADHO Nc1ccc(CN2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)nn1 ZINC000904385581 643657022 /nfs/dbraw/zinc/65/70/22/643657022.db2.gz ZFWXDQHGTGIHRK-CJNGLKHVSA-N 1 3 303.454 2.178 20 0 DEADHO CN(CCNC(=O)Nc1ccccc1C[NH3+])Cc1ccccc1 ZINC000904667312 643717016 /nfs/dbraw/zinc/71/70/16/643717016.db2.gz WCUDNDKJSXMPLC-UHFFFAOYSA-N 1 3 312.417 2.399 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@H](O)C[C@@H](O)c2ccccc2)C1 ZINC000905069416 643786992 /nfs/dbraw/zinc/78/69/92/643786992.db2.gz CWSGOMSOPMSWJV-BHIYHBOVSA-N 1 3 320.477 2.181 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC[C@H](O)C[C@@H](O)c2ccccc2)C1 ZINC000905069416 643786993 /nfs/dbraw/zinc/78/69/93/643786993.db2.gz CWSGOMSOPMSWJV-BHIYHBOVSA-N 1 3 320.477 2.181 20 0 DEADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](O)CC2(CO)CCCC2)C1 ZINC000905070351 643787203 /nfs/dbraw/zinc/78/72/03/643787203.db2.gz KCMZJWMNQJQHCU-IRXDYDNUSA-N 1 3 312.498 2.000 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@@H](O)CC2(CO)CCCC2)C1 ZINC000905070351 643787205 /nfs/dbraw/zinc/78/72/05/643787205.db2.gz KCMZJWMNQJQHCU-IRXDYDNUSA-N 1 3 312.498 2.000 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC[C@@H](O)CC2(CO)CCCC2)C1 ZINC000905070351 643787206 /nfs/dbraw/zinc/78/72/06/643787206.db2.gz KCMZJWMNQJQHCU-IRXDYDNUSA-N 1 3 312.498 2.000 20 0 DEADHO O[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)CC1(O)CCCC1 ZINC000905152903 643800247 /nfs/dbraw/zinc/80/02/47/643800247.db2.gz DENCJDPTORIWLX-KRWDZBQOSA-N 1 3 310.482 2.039 20 0 DEADHO C[C@@H](CCNC[C@@H](O)CC1(CO)CCCC1)[NH+]1CCCCC1 ZINC000905208060 643832117 /nfs/dbraw/zinc/83/21/17/643832117.db2.gz IZXGZPYQOHLVCQ-IRXDYDNUSA-N 1 3 312.498 2.144 20 0 DEADHO C[C@@H](CC[NH2+]C[C@@H](O)CC1(CO)CCCC1)N1CCCCC1 ZINC000905208060 643832119 /nfs/dbraw/zinc/83/21/19/643832119.db2.gz IZXGZPYQOHLVCQ-IRXDYDNUSA-N 1 3 312.498 2.144 20 0 DEADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1c[nH]cn1 ZINC000796443656 644738819 /nfs/dbraw/zinc/73/88/19/644738819.db2.gz UDSLIDCUGKMBKV-UHFFFAOYSA-N 1 3 319.497 2.038 20 0 DEADHO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(NC4=NCCC4)cc3)[C@H]2C1 ZINC000908345336 644827178 /nfs/dbraw/zinc/82/71/78/644827178.db2.gz BSKVTWRZERUQHC-ZBFHGGJFSA-N 1 3 312.417 2.067 20 0 DEADHO C[N@H+]1C[C@H]2CCN(C(=O)c3ccc(NC4=NCCC4)cc3)[C@H]2C1 ZINC000908345336 644827180 /nfs/dbraw/zinc/82/71/80/644827180.db2.gz BSKVTWRZERUQHC-ZBFHGGJFSA-N 1 3 312.417 2.067 20 0 DEADHO CC(C)(C(=O)NC1CC[NH+](C2CCC2)CC1)N1CCCCC1 ZINC000909285558 645162647 /nfs/dbraw/zinc/16/26/47/645162647.db2.gz MGEVAWOHVMMDOW-UHFFFAOYSA-N 1 3 307.482 2.384 20 0 DEADHO CN(C)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000911666670 645769575 /nfs/dbraw/zinc/76/95/75/645769575.db2.gz JBJPGSXXEIYWON-IRXDYDNUSA-N 1 3 318.465 2.073 20 0 DEADHO CN(C)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000911666670 645769578 /nfs/dbraw/zinc/76/95/78/645769578.db2.gz JBJPGSXXEIYWON-IRXDYDNUSA-N 1 3 318.465 2.073 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000912193387 645986364 /nfs/dbraw/zinc/98/63/64/645986364.db2.gz JIFZJGNSJLZCKC-HNNXBMFYSA-N 1 3 310.486 2.033 20 0 DEADHO COC(=O)c1ccc2[nH]cc(C3CCN(CCC[NH3+])CC3)c2c1 ZINC000166233410 646516800 /nfs/dbraw/zinc/51/68/00/646516800.db2.gz MYHQZOBAYJYEKT-UHFFFAOYSA-N 1 3 315.417 2.483 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000812311341 646630797 /nfs/dbraw/zinc/63/07/97/646630797.db2.gz ZUSJTIREHPHSGJ-CZUORRHYSA-N 1 3 301.450 2.044 20 0 DEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000812311341 646630796 /nfs/dbraw/zinc/63/07/96/646630796.db2.gz ZUSJTIREHPHSGJ-CZUORRHYSA-N 1 3 301.450 2.044 20 0 DEADHO CN(C)C1(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CC4CC4)[C@H]3C2)CCC1 ZINC000992724490 647196018 /nfs/dbraw/zinc/19/60/18/647196018.db2.gz WWQYJDWVJFGRTB-ULQDDVLXSA-N 1 3 319.493 2.097 20 0 DEADHO CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]21 ZINC000992725308 647197089 /nfs/dbraw/zinc/19/70/89/647197089.db2.gz ZRWQXBBOMHQUPV-OWCLPIDISA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)Oc1ccc([C@H](O)CN[C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000817895082 647373741 /nfs/dbraw/zinc/37/37/41/647373741.db2.gz UTKHRYIGZQSVDV-ZTFGCOKTSA-N 1 3 306.450 2.485 20 0 DEADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)COc1cccc(F)c1 ZINC000817892791 647373987 /nfs/dbraw/zinc/37/39/87/647373987.db2.gz CKLSXHJGIVXPTF-VDHUWJSZSA-N 1 3 322.424 2.076 20 0 DEADHO N[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000817899595 647376298 /nfs/dbraw/zinc/37/62/98/647376298.db2.gz HRAWTDMJFUJWJW-JHJVBQTASA-N 1 3 304.312 2.088 20 0 DEADHO C[C@@H](NCCc1ccc(Br)cc1F)C1C[NH2+]C1 ZINC000817902252 647377177 /nfs/dbraw/zinc/37/71/77/647377177.db2.gz LTBUUYJEZVXOTG-SECBINFHSA-N 1 3 301.203 2.328 20 0 DEADHO COc1ccc([C@@H](C)NC[C@@H](C)C[NH3+])cc1Cn1cccn1 ZINC000817962767 647394778 /nfs/dbraw/zinc/39/47/78/647394778.db2.gz OTQWJXJDXSIWOI-UONOGXRCSA-N 1 3 302.422 2.185 20 0 DEADHO C[C@H]1[C@H](NC(=O)C(C)(C)N2CCCC2)CCC[N@@H+]1CCCF ZINC000993683211 647724323 /nfs/dbraw/zinc/72/43/23/647724323.db2.gz LWPGSQUKXOXATJ-LSDHHAIUSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H]1[C@H](NC(=O)C(C)(C)N2CCCC2)CCC[N@H+]1CCCF ZINC000993683211 647724325 /nfs/dbraw/zinc/72/43/25/647724325.db2.gz LWPGSQUKXOXATJ-LSDHHAIUSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)N1CC[C@H](N[C@@H](C)c2cccc(C[NH+](C)C)c2)C1=O ZINC000820814836 647923657 /nfs/dbraw/zinc/92/36/57/647923657.db2.gz MQONOYJGCVFQOL-YOEHRIQHSA-N 1 3 303.450 2.408 20 0 DEADHO O[C@H](CN1CCC[C@@H]1Cc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000917640996 648019912 /nfs/dbraw/zinc/01/99/12/648019912.db2.gz UYHIJKUKBSCVAJ-MSOLQXFVSA-N 1 3 306.425 2.289 20 0 DEADHO C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCN3C3CCCC3)CC2)CC1 ZINC000825251115 648732075 /nfs/dbraw/zinc/73/20/75/648732075.db2.gz UTUZQKXVSOROCR-KRWDZBQOSA-N 1 3 319.493 2.338 20 0 DEADHO CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000940918005 648970967 /nfs/dbraw/zinc/97/09/67/648970967.db2.gz IAIYRDGHHWWENT-JKSUJKDBSA-N 1 3 307.482 2.097 20 0 DEADHO CC[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000940918005 648970971 /nfs/dbraw/zinc/97/09/71/648970971.db2.gz IAIYRDGHHWWENT-JKSUJKDBSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C[C@H]1C ZINC000944447082 649527106 /nfs/dbraw/zinc/52/71/06/649527106.db2.gz XGHUOOGIMFLZDE-CJNGLKHVSA-N 1 3 318.465 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C[C@H]1C ZINC000944447082 649527108 /nfs/dbraw/zinc/52/71/08/649527108.db2.gz XGHUOOGIMFLZDE-CJNGLKHVSA-N 1 3 318.465 2.277 20 0 DEADHO O=C(CCCC[NH+]1CCCC1)NC[C@@H]1NCCc2ccccc21 ZINC000844196111 651089888 /nfs/dbraw/zinc/08/98/88/651089888.db2.gz CBTBRJCXIZBOIW-SFHVURJKSA-N 1 3 315.461 2.256 20 0 DEADHO Cn1nc(C(F)(F)F)c(CNCCC2(C[NH3+])CC2)c1Cl ZINC000844903771 651181442 /nfs/dbraw/zinc/18/14/42/651181442.db2.gz MUVKTFSXFLBWMQ-UHFFFAOYSA-N 1 3 310.751 2.311 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@]1(C)c1ccccc1 ZINC000849010495 651581756 /nfs/dbraw/zinc/58/17/56/651581756.db2.gz SOEQVAPIUQVVQG-SOLBZPMBSA-N 1 3 300.450 2.315 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(F)(F)c1ccccc1 ZINC000849021573 651584658 /nfs/dbraw/zinc/58/46/58/651584658.db2.gz QYIAXCXPRRKHOT-CQSZACIVSA-N 1 3 310.392 2.377 20 0 DEADHO C=Cc1ccc(CCNC(=[NH2+])NC[C@H]2CCCN2CC)cc1 ZINC000849030134 651588633 /nfs/dbraw/zinc/58/86/33/651588633.db2.gz HRKWEVSTJWWYBN-QGZVFWFLSA-N 1 3 300.450 2.470 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]([NH2+]Cc1csc(C)c1)C1CC1)N(C)C ZINC001389701916 1155398720 /nfs/dbraw/zinc/39/87/20/1155398720.db2.gz WRDXEUHKCBNTAP-HZPDHXFCSA-N 1 3 323.506 2.381 20 0 DEADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](CC[C@@H](C)O)C2)ccn1 ZINC000856605915 651957385 /nfs/dbraw/zinc/95/73/85/651957385.db2.gz ZORMQRRNAZMZDK-CRAIPNDOSA-N 1 3 321.465 2.146 20 0 DEADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](CC[C@@H](C)O)C2)ccn1 ZINC000856605915 651957388 /nfs/dbraw/zinc/95/73/88/651957388.db2.gz ZORMQRRNAZMZDK-CRAIPNDOSA-N 1 3 321.465 2.146 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N(C)C2CCC([NH3+])CC2)c1 ZINC000857765311 652173382 /nfs/dbraw/zinc/17/33/82/652173382.db2.gz FAZSVMRXNCKBLM-UHFFFAOYSA-N 1 3 304.438 2.482 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000851631154 652192576 /nfs/dbraw/zinc/19/25/76/652192576.db2.gz XGNJKWZJVJBGJU-BFYDXBDKSA-N 1 3 301.434 2.210 20 0 DEADHO CCOC(=O)N[C@H]1CCCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000852750528 652449655 /nfs/dbraw/zinc/44/96/55/652449655.db2.gz XPQQZBBHALKBJG-INIZCTEOSA-N 1 3 317.433 2.043 20 0 DEADHO CC[C@H](F)C[NH2+]C1CCC(NC(=O)CN(C)C(C)C)CC1 ZINC001390270511 1155618580 /nfs/dbraw/zinc/61/85/80/1155618580.db2.gz ARSSCEOQQFXJHR-NFOMZHRRSA-N 1 3 301.450 2.092 20 0 DEADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCCNC2=O)cc1 ZINC000854230718 652662523 /nfs/dbraw/zinc/66/25/23/652662523.db2.gz CVVXKCDMMWPTEC-DLBZAZTESA-N 1 3 316.449 2.356 20 0 DEADHO C[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCCF)C1)N1CCCCCC1 ZINC001391099294 1156109987 /nfs/dbraw/zinc/10/99/87/1156109987.db2.gz UKOPEQHEWJLLHV-HOTGVXAUSA-N 1 3 313.461 2.049 20 0 DEADHO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCCF)C1)N1CCCCCC1 ZINC001391099294 1156109995 /nfs/dbraw/zinc/10/99/95/1156109995.db2.gz UKOPEQHEWJLLHV-HOTGVXAUSA-N 1 3 313.461 2.049 20 0 DEADHO CCCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)[C@@H]1CCN(CC)C1 ZINC001391275208 1156306288 /nfs/dbraw/zinc/30/62/88/1156306288.db2.gz OIYUWPILRLWQCG-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CC1CC(C)C1 ZINC001391719689 1156733457 /nfs/dbraw/zinc/73/34/57/1156733457.db2.gz RDXIERKFWDNLLC-UYSNPLJNSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](CCC2CC2)C1)N(CC)CC ZINC001373681935 1157260645 /nfs/dbraw/zinc/26/06/45/1157260645.db2.gz ODOAXBHTMZLOJM-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CCC2CC2)C1)N(CC)CC ZINC001373681935 1157260666 /nfs/dbraw/zinc/26/06/66/1157260666.db2.gz ODOAXBHTMZLOJM-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@H](N)CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379660531 685392155 /nfs/dbraw/zinc/39/21/55/685392155.db2.gz ABBDGHCKZLFFNY-ZTFGCOKTSA-N 1 3 315.461 2.283 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@H](N)CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000379660531 685392161 /nfs/dbraw/zinc/39/21/61/685392161.db2.gz ABBDGHCKZLFFNY-ZTFGCOKTSA-N 1 3 315.461 2.283 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000389800130 685434988 /nfs/dbraw/zinc/43/49/88/685434988.db2.gz WXCHEEMUFVFCHS-XFEAVSNESA-N 1 3 311.473 2.093 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000389800126 685435256 /nfs/dbraw/zinc/43/52/56/685435256.db2.gz WXCHEEMUFVFCHS-MLEIXFNDSA-N 1 3 311.473 2.093 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCN1C ZINC000928440840 693779718 /nfs/dbraw/zinc/77/97/18/693779718.db2.gz LVORDLPDJTVSHK-QAPCUYQASA-N 1 3 315.461 2.495 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000078799888 683967886 /nfs/dbraw/zinc/96/78/86/683967886.db2.gz QBLPJRNAGONSPX-SJORKVTESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000078799888 683967887 /nfs/dbraw/zinc/96/78/87/683967887.db2.gz QBLPJRNAGONSPX-SJORKVTESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)(CNC(=O)CCCCC[NH3+])N1CCc2ccccc2C1 ZINC000155448233 684273083 /nfs/dbraw/zinc/27/30/83/684273083.db2.gz MTKQOJGXULOBSZ-UHFFFAOYSA-N 1 3 317.477 2.459 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000928836077 693852798 /nfs/dbraw/zinc/85/27/98/693852798.db2.gz MTQPMUMCRBFGTL-SJORKVTESA-N 1 3 318.465 2.065 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205113 693881285 /nfs/dbraw/zinc/88/12/85/693881285.db2.gz KSZYEGSKOSVFNT-GOSISDBHSA-N 1 3 318.465 2.313 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205113 693881287 /nfs/dbraw/zinc/88/12/87/693881287.db2.gz KSZYEGSKOSVFNT-GOSISDBHSA-N 1 3 318.465 2.313 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001054205203 693881417 /nfs/dbraw/zinc/88/14/17/693881417.db2.gz MSZXHXLBIGNHJH-GOSISDBHSA-N 1 3 316.449 2.067 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001054205203 693881421 /nfs/dbraw/zinc/88/14/21/693881421.db2.gz MSZXHXLBIGNHJH-GOSISDBHSA-N 1 3 316.449 2.067 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2C[C@@H]([NH2+]CCC(C)(C)C)C2)CCC1 ZINC001375492235 1158762973 /nfs/dbraw/zinc/76/29/73/1158762973.db2.gz AMIINMBXHVLELH-GASCZTMLSA-N 1 3 309.498 2.391 20 0 DEADHO C[NH+](C)CCCNC[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000862264184 686268663 /nfs/dbraw/zinc/26/86/63/686268663.db2.gz HMLWMULLNBHBMT-LBPRGKRZSA-N 1 3 321.412 2.172 20 0 DEADHO CC(C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001054646807 694014736 /nfs/dbraw/zinc/01/47/36/694014736.db2.gz DQLCCDGQIBCCRP-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO C[N@@H+]1CCCC[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000862794045 686377792 /nfs/dbraw/zinc/37/77/92/686377792.db2.gz VLXHKKUBGXTRBW-WMLDXEAASA-N 1 3 313.461 2.047 20 0 DEADHO C[N@H+]1CCCC[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000862794045 686377800 /nfs/dbraw/zinc/37/78/00/686377800.db2.gz VLXHKKUBGXTRBW-WMLDXEAASA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCCN2CC)C1 ZINC001375509719 1158784841 /nfs/dbraw/zinc/78/48/41/1158784841.db2.gz FBJIIBHHXCJATC-CAOSSQGBSA-N 1 3 313.461 2.093 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]CC1=CCCCC1 ZINC001054739518 694036616 /nfs/dbraw/zinc/03/66/16/694036616.db2.gz UFIFODIZFCIDJP-WBVHZDCISA-N 1 3 319.493 2.408 20 0 DEADHO C[C@H](C[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)CN(C)C ZINC000865577216 687265710 /nfs/dbraw/zinc/26/57/10/687265710.db2.gz FJOXWRBPVHUZTD-TUBUQKNSSA-N 1 3 311.470 2.173 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[N@H+](CC3CCC3)C2)c1 ZINC001016322817 687591800 /nfs/dbraw/zinc/59/18/00/687591800.db2.gz LTXQMNQVVILDKB-SFHVURJKSA-N 1 3 315.461 2.352 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[N@@H+](CC3CCC3)C2)c1 ZINC001016322817 687591803 /nfs/dbraw/zinc/59/18/03/687591803.db2.gz LTXQMNQVVILDKB-SFHVURJKSA-N 1 3 315.461 2.352 20 0 DEADHO COc1cccc(NC(=O)CC[N@@H+]2CCNCCC2(C)C)c1 ZINC000866699361 687657774 /nfs/dbraw/zinc/65/77/74/687657774.db2.gz LSKUDYPZPQKLGB-UHFFFAOYSA-N 1 3 305.422 2.098 20 0 DEADHO COc1cccc(NC(=O)CC[N@H+]2CCNCCC2(C)C)c1 ZINC000866699361 687657778 /nfs/dbraw/zinc/65/77/78/687657778.db2.gz LSKUDYPZPQKLGB-UHFFFAOYSA-N 1 3 305.422 2.098 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CC23CC[NH+](CCC2CC2)CC3)C1 ZINC001016819705 687710035 /nfs/dbraw/zinc/71/00/35/687710035.db2.gz MLKZYMAJATWNTE-NVXWUHKLSA-N 1 3 319.493 2.099 20 0 DEADHO CC(C)C[NH+]1CCC2(C[C@H]2NC(=O)CN2CCC[C@H]2C)CC1 ZINC001016829627 687711638 /nfs/dbraw/zinc/71/16/38/687711638.db2.gz MHOHRVOMYNUXMX-HZPDHXFCSA-N 1 3 307.482 2.097 20 0 DEADHO CCCC[NH+]1CCC2(C[C@@H]2NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001016827939 687711840 /nfs/dbraw/zinc/71/18/40/687711840.db2.gz ARCHAHAYJLXNDF-HOTGVXAUSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H](C[N@H+](C)CC2CCC2)C1 ZINC001017208883 687824124 /nfs/dbraw/zinc/82/41/24/687824124.db2.gz KPWHRHVKKLMKEW-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCC2)C1 ZINC001017208883 687824133 /nfs/dbraw/zinc/82/41/33/687824133.db2.gz KPWHRHVKKLMKEW-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001018630832 688188886 /nfs/dbraw/zinc/18/88/86/688188886.db2.gz AOSRDXIHPVACPN-IRXDYDNUSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c1 ZINC001018965125 688262999 /nfs/dbraw/zinc/26/29/99/688262999.db2.gz UABRGEBEBWMPPH-ZWKOTPCHSA-N 1 3 315.461 2.026 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C1)N(C)C ZINC001018999429 688267550 /nfs/dbraw/zinc/26/75/50/688267550.db2.gz RQCGIMPJISYBOK-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001018999309 688267586 /nfs/dbraw/zinc/26/75/86/688267586.db2.gz NTAPHUNMNZHXJN-IRXDYDNUSA-N 1 3 321.440 2.102 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC([C@H](C)[NH2+]CC2CC2)CC1)N(C)C ZINC001029140281 688553531 /nfs/dbraw/zinc/55/35/31/688553531.db2.gz UBQORJMEQWGMTD-WMLDXEAASA-N 1 3 309.498 2.199 20 0 DEADHO CN(CC(=O)N1CC[C@@H](C[N@H+](C)CC2CCCC2)C1)C1CCC1 ZINC001029754753 688573735 /nfs/dbraw/zinc/57/37/35/688573735.db2.gz CLZDHURJOQQODH-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CN(CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCC2)C1)C1CCC1 ZINC001029754753 688573736 /nfs/dbraw/zinc/57/37/36/688573736.db2.gz CLZDHURJOQQODH-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC1CCC(N2CCN(C(=O)CC[NH2+]CC3CC3)CC2)CC1 ZINC000870887917 688679096 /nfs/dbraw/zinc/67/90/96/688679096.db2.gz HWIKBCDSHJRADE-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO CN1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CCC1(C)C ZINC000871158083 688739404 /nfs/dbraw/zinc/73/94/04/688739404.db2.gz NHTTYLXLRHPTDI-UHFFFAOYSA-N 1 3 317.477 2.347 20 0 DEADHO Cc1ccccc1CN(C)C(=O)CN(C)CCCCCC[NH3+] ZINC000872154977 688939450 /nfs/dbraw/zinc/93/94/50/688939450.db2.gz HYUYDEONJCXUQW-UHFFFAOYSA-N 1 3 305.466 2.404 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC1C[NH+](CC[C@H](C)F)C1 ZINC001032026439 689044763 /nfs/dbraw/zinc/04/47/63/689044763.db2.gz FTFUCSQHJBDJOH-HOCLYGCPSA-N 1 3 313.461 2.045 20 0 DEADHO CC[C@H](C)C[NH+]1CC(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001032207379 689083925 /nfs/dbraw/zinc/08/39/25/689083925.db2.gz OVIGFJIJJXHWSD-HNNXBMFYSA-N 1 3 317.477 2.456 20 0 DEADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCC2)CC[N@@H+]1C ZINC001032411584 689143240 /nfs/dbraw/zinc/14/32/40/689143240.db2.gz QWCQHVIHPDOPSN-LAVFITLUSA-N 1 3 319.493 2.192 20 0 DEADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCC2)CC[N@H+]1C ZINC001032411584 689143241 /nfs/dbraw/zinc/14/32/41/689143241.db2.gz QWCQHVIHPDOPSN-LAVFITLUSA-N 1 3 319.493 2.192 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC(C)(C)C1)N(C)C ZINC001032459409 689156652 /nfs/dbraw/zinc/15/66/52/689156652.db2.gz BIBFILWBNJSXIM-ULQDDVLXSA-N 1 3 321.509 2.294 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CC(C)(C)C1)N(C)C ZINC001032459409 689156655 /nfs/dbraw/zinc/15/66/55/689156655.db2.gz BIBFILWBNJSXIM-ULQDDVLXSA-N 1 3 321.509 2.294 20 0 DEADHO COc1ccc2c(c1)OC[C@@H](N[C@H]1CC[NH2+]CC(C)(C)C1)C2 ZINC000873245094 689192443 /nfs/dbraw/zinc/19/24/43/689192443.db2.gz PHOSJKMHWSQHIX-GJZGRUSLSA-N 1 3 304.434 2.367 20 0 DEADHO NCc1cn(-c2cccc(C[NH2+][C@@H]3CC[C@@H]3C3CCC3)c2)nn1 ZINC000873245216 689192673 /nfs/dbraw/zinc/19/26/73/689192673.db2.gz XXRZQFHHNNQVFM-QZTJIDSGSA-N 1 3 311.433 2.394 20 0 DEADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001032664367 689217392 /nfs/dbraw/zinc/21/73/92/689217392.db2.gz YZPKYYXXPLAJHL-YESZJQIVSA-N 1 3 307.482 2.190 20 0 DEADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001032664367 689217394 /nfs/dbraw/zinc/21/73/94/689217394.db2.gz YZPKYYXXPLAJHL-YESZJQIVSA-N 1 3 307.482 2.190 20 0 DEADHO CN(C(=O)[C@@H](C1CC1)N1CCCC1)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001033294616 689451973 /nfs/dbraw/zinc/45/19/73/689451973.db2.gz BNXGGIUUESBYFP-ZWKOTPCHSA-N 1 3 319.493 2.194 20 0 DEADHO CN(C(=O)[C@@H](C1CC1)N1CCCC1)[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033294616 689451975 /nfs/dbraw/zinc/45/19/75/689451975.db2.gz BNXGGIUUESBYFP-ZWKOTPCHSA-N 1 3 319.493 2.194 20 0 DEADHO CCN(C(=O)[C@H]1CCCN1C(C)C)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001033827575 689629350 /nfs/dbraw/zinc/62/93/50/689629350.db2.gz GJQBRCQSKFKFMB-DLBZAZTESA-N 1 3 307.482 2.192 20 0 DEADHO CCN(C(=O)[C@H]1CCCN1C(C)C)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001033827575 689629352 /nfs/dbraw/zinc/62/93/52/689629352.db2.gz GJQBRCQSKFKFMB-DLBZAZTESA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCCF)C1 ZINC001034204316 689761936 /nfs/dbraw/zinc/76/19/36/689761936.db2.gz LYVRQPWXAXXJCV-HOTGVXAUSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCCF)C1 ZINC001034204316 689761938 /nfs/dbraw/zinc/76/19/38/689761938.db2.gz LYVRQPWXAXXJCV-HOTGVXAUSA-N 1 3 313.461 2.190 20 0 DEADHO CN(C(=O)NC1CCC(C)([NH+](C)C)CC1)[C@H]1CCN(C2CC2)C1 ZINC000876110669 689763627 /nfs/dbraw/zinc/76/36/27/689763627.db2.gz HACVISHASBUXJS-HQVVEAJESA-N 1 3 322.497 2.127 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CC(C)C)C1 ZINC001034240961 689777733 /nfs/dbraw/zinc/77/77/33/689777733.db2.gz VNXREZVTGJGZGP-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CC(C)C)C1 ZINC001034240961 689777738 /nfs/dbraw/zinc/77/77/38/689777738.db2.gz VNXREZVTGJGZGP-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CC(C)C)C1 ZINC001034240962 689778043 /nfs/dbraw/zinc/77/80/43/689778043.db2.gz VNXREZVTGJGZGP-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC(C)C)C1 ZINC001034240962 689778045 /nfs/dbraw/zinc/77/80/45/689778045.db2.gz VNXREZVTGJGZGP-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CCCC[N@H+](CC2CC2)C1)N1CCCC1 ZINC001034340495 689815771 /nfs/dbraw/zinc/81/57/71/689815771.db2.gz PHVWDLKJYODGAD-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CCCC[N@@H+](CC2CC2)C1)N1CCCC1 ZINC001034340495 689815773 /nfs/dbraw/zinc/81/57/73/689815773.db2.gz PHVWDLKJYODGAD-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000876764107 689930036 /nfs/dbraw/zinc/93/00/36/689930036.db2.gz KXUNRSMVIAOQST-NBXKHSKNSA-N 1 3 319.493 2.121 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000876876307 689961585 /nfs/dbraw/zinc/96/15/85/689961585.db2.gz NJQQFUYEPQBBPB-CALCHBBNSA-N 1 3 309.498 2.474 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCCC1)C1CCC1 ZINC001034958040 689999196 /nfs/dbraw/zinc/99/91/96/689999196.db2.gz WFXKZNNNCBKLGF-QGZVFWFLSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1csc(C)c1)N(C)C ZINC001034974428 690001893 /nfs/dbraw/zinc/00/18/93/690001893.db2.gz HVGWBYZRBPXHEE-HZPDHXFCSA-N 1 3 323.506 2.477 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CC[C@@H](C)[NH3+] ZINC000877030227 690002162 /nfs/dbraw/zinc/00/21/62/690002162.db2.gz CBKVXDGBCADMPZ-FRFSOERESA-N 1 3 301.434 2.257 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CC1 ZINC001035070038 690025874 /nfs/dbraw/zinc/02/58/74/690025874.db2.gz GRRLFPVFFGSUKJ-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000877450411 690116358 /nfs/dbraw/zinc/11/63/58/690116358.db2.gz GWMOARLIYSEFBB-RDJZCZTQSA-N 1 3 309.498 2.474 20 0 DEADHO Cc1ccc([C@H](O)[C@@H](C)NC2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000877516801 690137699 /nfs/dbraw/zinc/13/76/99/690137699.db2.gz IKZJSWOUVMERQX-CRAIPNDOSA-N 1 3 320.477 2.242 20 0 DEADHO CN1CC[NH+](CC2CCN(C[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000877524797 690140812 /nfs/dbraw/zinc/14/08/12/690140812.db2.gz GMVQJLABSUAUNN-CQSZACIVSA-N 1 3 320.308 2.140 20 0 DEADHO CCCC[NH+]1CC2(C1)CCN(C(=O)CN1CC[C@H](C)C1)CC2 ZINC001035797239 690178905 /nfs/dbraw/zinc/17/89/05/690178905.db2.gz FZNRVJHRJIFMKP-INIZCTEOSA-N 1 3 307.482 2.053 20 0 DEADHO CC(C)[NH+]1CCC(N(C)CCc2ccc(C(N)=O)cc2)CC1 ZINC000878034096 690289000 /nfs/dbraw/zinc/28/90/00/690289000.db2.gz IVBQCMNTCROYJV-UHFFFAOYSA-N 1 3 303.450 2.133 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@@H]21 ZINC001036735987 690452223 /nfs/dbraw/zinc/45/22/23/690452223.db2.gz TUYMYZOUWXMGLV-CVEARBPZSA-N 1 3 307.482 2.194 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@@H]21 ZINC001036735987 690452226 /nfs/dbraw/zinc/45/22/26/690452226.db2.gz TUYMYZOUWXMGLV-CVEARBPZSA-N 1 3 307.482 2.194 20 0 DEADHO CN(CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC2CCC2)C1)C1CCC1 ZINC001036737981 690454221 /nfs/dbraw/zinc/45/42/21/690454221.db2.gz ZASIPNKIZDEUDK-SJLPKXTDSA-N 1 3 319.493 2.194 20 0 DEADHO CN(CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC2CCC2)C1)C1CCC1 ZINC001036737981 690454225 /nfs/dbraw/zinc/45/42/25/690454225.db2.gz ZASIPNKIZDEUDK-SJLPKXTDSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@H]1C[C@@H](C(C)(C)C)CCN1CC(=O)NC1CC[NH+](C)CC1 ZINC000878620846 690457596 /nfs/dbraw/zinc/45/75/96/690457596.db2.gz XTHDNKQLSAHUGB-GJZGRUSLSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CC(C)C ZINC001037851228 690623323 /nfs/dbraw/zinc/62/33/23/690623323.db2.gz JMOQTUQTWNIBLO-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CC1CC1 ZINC001037853156 690623935 /nfs/dbraw/zinc/62/39/35/690623935.db2.gz NTHPEAASJCFIES-JKSUJKDBSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)[C@H]1CCCOC1 ZINC000880471854 690906322 /nfs/dbraw/zinc/90/63/22/690906322.db2.gz WNKCHIHZGRNIMX-ROUUACIJSA-N 1 3 311.514 2.197 20 0 DEADHO CC1([NH+]2CCC2)CCN(CC2CCC3(CC2)OCCO3)CC1 ZINC000880474244 690906771 /nfs/dbraw/zinc/90/67/71/690906771.db2.gz VWFDQMLVGZUUKZ-UHFFFAOYSA-N 1 3 308.466 2.480 20 0 DEADHO CC1(N2CCC2)CC[NH+](C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000880474973 690907001 /nfs/dbraw/zinc/90/70/01/690907001.db2.gz PZAUQWWYDKJWNY-QGZVFWFLSA-N 1 3 306.425 2.289 20 0 DEADHO C[NH+](C)CC1(O)CCN(Cc2cccc(OC(F)F)c2)CC1 ZINC000931486377 694410502 /nfs/dbraw/zinc/41/05/02/694410502.db2.gz YVUNJCSQQIMSRR-UHFFFAOYSA-N 1 3 314.376 2.177 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN2CCC2CCCCC2)C1 ZINC001039027670 690997255 /nfs/dbraw/zinc/99/72/55/690997255.db2.gz KJEPJOCVIGVXEL-SJORKVTESA-N 1 3 307.482 2.099 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN2CCC2CCCCC2)C1 ZINC001039027670 690997258 /nfs/dbraw/zinc/99/72/58/690997258.db2.gz KJEPJOCVIGVXEL-SJORKVTESA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC001039051644 691004260 /nfs/dbraw/zinc/00/42/60/691004260.db2.gz XKNIUEBQHWULBQ-MRXNPFEDSA-N 1 3 303.450 2.208 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC001039051644 691004263 /nfs/dbraw/zinc/00/42/63/691004263.db2.gz XKNIUEBQHWULBQ-MRXNPFEDSA-N 1 3 303.450 2.208 20 0 DEADHO CC[C@H](C(=O)N1CCC([C@@H]2CC[N@@H+](C(C)C)C2)CC1)N(C)C ZINC001039136457 691030871 /nfs/dbraw/zinc/03/08/71/691030871.db2.gz MEXNCQICBYBMSJ-IAGOWNOFSA-N 1 3 309.498 2.296 20 0 DEADHO CC[C@H](C(=O)N1CCC([C@@H]2CC[N@H+](C(C)C)C2)CC1)N(C)C ZINC001039136457 691030873 /nfs/dbraw/zinc/03/08/73/691030873.db2.gz MEXNCQICBYBMSJ-IAGOWNOFSA-N 1 3 309.498 2.296 20 0 DEADHO CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039172774 691038815 /nfs/dbraw/zinc/03/88/15/691038815.db2.gz DZFOBEPQHHPSRJ-GOSISDBHSA-N 1 3 321.509 2.443 20 0 DEADHO CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039172774 691038817 /nfs/dbraw/zinc/03/88/17/691038817.db2.gz DZFOBEPQHHPSRJ-GOSISDBHSA-N 1 3 321.509 2.443 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@H+](CC)C2)CC1 ZINC001039183243 691042681 /nfs/dbraw/zinc/04/26/81/691042681.db2.gz YFLIXQNXGPYAOG-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001039183243 691042683 /nfs/dbraw/zinc/04/26/83/691042683.db2.gz YFLIXQNXGPYAOG-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1C[N@H+](CCC)CC2 ZINC001039385777 691095087 /nfs/dbraw/zinc/09/50/87/691095087.db2.gz UXNAHMRMOGSBQH-IXDOHACOSA-N 1 3 307.482 2.336 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1C[N@@H+](CCC)CC2 ZINC001039385777 691095089 /nfs/dbraw/zinc/09/50/89/691095089.db2.gz UXNAHMRMOGSBQH-IXDOHACOSA-N 1 3 307.482 2.336 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)CCC1 ZINC001040236011 691217889 /nfs/dbraw/zinc/21/78/89/691217889.db2.gz JMNPRBLEMFRNBM-SFHVURJKSA-N 1 3 319.493 2.195 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)CCC1 ZINC001040236011 691217890 /nfs/dbraw/zinc/21/78/90/691217890.db2.gz JMNPRBLEMFRNBM-SFHVURJKSA-N 1 3 319.493 2.195 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC1CC1)C2)N(C)C ZINC001040398035 691242825 /nfs/dbraw/zinc/24/28/25/691242825.db2.gz CNTQXKCPAMRETK-HKUYNNGSSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC1CC1)C2)N(C)C ZINC001040398035 691242826 /nfs/dbraw/zinc/24/28/26/691242826.db2.gz CNTQXKCPAMRETK-HKUYNNGSSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N1CCC2(C1)CC[NH+](CC(C)C)CC2)N(C)C ZINC001040745145 691284649 /nfs/dbraw/zinc/28/46/49/691284649.db2.gz IRVQZOWREQYRPE-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC2(C1)CC[NH+](C(C)C)CC2)N(C)C ZINC001040834578 691291351 /nfs/dbraw/zinc/29/13/51/691291351.db2.gz APVVCRAMHSLLIW-MRXNPFEDSA-N 1 3 309.498 2.296 20 0 DEADHO CCC[NH+]1CCC2(CCN(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001040850188 691292707 /nfs/dbraw/zinc/29/27/07/691292707.db2.gz ZQXLQCFGOJUSPT-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO CC[C@@H](C(=O)N1CCC2(C1)CC[NH+](CC1CC1)CC2)N(C)C ZINC001040853491 691293494 /nfs/dbraw/zinc/29/34/94/691293494.db2.gz QBDIUQDEDYEVHY-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)CC[NH+]1CCC2(CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001040869600 691293956 /nfs/dbraw/zinc/29/39/56/691293956.db2.gz LOFMYBUDCCRBLQ-UHFFFAOYSA-N 1 3 318.465 2.313 20 0 DEADHO CC(C)=CC[NH+]1CCC2(CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001040870817 691294006 /nfs/dbraw/zinc/29/40/06/691294006.db2.gz XJBQZFNBCFHVSJ-UHFFFAOYSA-N 1 3 316.449 2.233 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CCC3CC3)C2)C1)N(C)C ZINC001041378055 691369004 /nfs/dbraw/zinc/36/90/04/691369004.db2.gz GKVAWFPLBPKSLI-PKOBYXMFSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1)N(C)C ZINC001041378055 691369006 /nfs/dbraw/zinc/36/90/06/691369006.db2.gz GKVAWFPLBPKSLI-PKOBYXMFSA-N 1 3 321.509 2.297 20 0 DEADHO CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001041844673 691444011 /nfs/dbraw/zinc/44/40/11/691444011.db2.gz CPOZGKSZXAIWNK-AEFFLSMTSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001041844673 691444013 /nfs/dbraw/zinc/44/40/13/691444013.db2.gz CPOZGKSZXAIWNK-AEFFLSMTSA-N 1 3 307.482 2.195 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](NCCc2ccns2)[C@@H](C)C1 ZINC000883248083 691465361 /nfs/dbraw/zinc/46/53/61/691465361.db2.gz GXYKPGQNRCSKJW-HOCLYGCPSA-N 1 3 311.495 2.412 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](NCCc2ccns2)[C@@H](C)C1 ZINC000883248083 691465364 /nfs/dbraw/zinc/46/53/64/691465364.db2.gz GXYKPGQNRCSKJW-HOCLYGCPSA-N 1 3 311.495 2.412 20 0 DEADHO CCC[NH+]1CCC(NC[C@@H]2CCC3(CCOCC3)CO2)CC1 ZINC000883261516 691467149 /nfs/dbraw/zinc/46/71/49/691467149.db2.gz FBOVNUZWAFYAKU-KRWDZBQOSA-N 1 3 310.482 2.426 20 0 DEADHO COC(=O)c1ccc(OC)c(CN2CCC3(C2)CC[NH2+]CC3)c1 ZINC000883424317 691505368 /nfs/dbraw/zinc/50/53/68/691505368.db2.gz NZCLXEYFNXVGDS-UHFFFAOYSA-N 1 3 318.417 2.057 20 0 DEADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(CCCOC(F)(F)F)CC1 ZINC000883432330 691508035 /nfs/dbraw/zinc/50/80/35/691508035.db2.gz PIMGVSUWXRECCO-CHWSQXEVSA-N 1 3 310.360 2.131 20 0 DEADHO C[NH+](C)CCCOc1cccc(NC(=O)[C@H](N)CC2CC2)c1 ZINC000884220101 691685595 /nfs/dbraw/zinc/68/55/95/691685595.db2.gz GGYIKFFIYZGQEQ-MRXNPFEDSA-N 1 3 305.422 2.083 20 0 DEADHO CC(C)[C@H]([NH3+])C(C)(C)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000884438478 691738501 /nfs/dbraw/zinc/73/85/01/691738501.db2.gz BQVYDEKLLMBKQZ-HNNXBMFYSA-N 1 3 305.422 2.117 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CCF)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC001044869421 691899687 /nfs/dbraw/zinc/89/96/87/691899687.db2.gz ZKEDFEVQOBIQOY-PBHICJAKSA-N 1 3 321.440 2.300 20 0 DEADHO Cc1[nH]nc(CNCc2cccc(OCC[NH+](C)C)c2)c1C ZINC000885923926 691963717 /nfs/dbraw/zinc/96/37/17/691963717.db2.gz DYTFWCLVUJDADZ-UHFFFAOYSA-N 1 3 302.422 2.257 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)NC2(C)CCN(Cc3ccsc3)CC2)C1 ZINC001045639399 692009179 /nfs/dbraw/zinc/00/91/79/692009179.db2.gz KAIVEHFQEPZZEP-HNNXBMFYSA-N 1 3 321.490 2.171 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)NC2(C)CCN(Cc3ccsc3)CC2)C1 ZINC001045639399 692009181 /nfs/dbraw/zinc/00/91/81/692009181.db2.gz KAIVEHFQEPZZEP-HNNXBMFYSA-N 1 3 321.490 2.171 20 0 DEADHO CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)N1CCCC1 ZINC001045824827 692032395 /nfs/dbraw/zinc/03/23/95/692032395.db2.gz FAGVSXHDVJEWTC-SJORKVTESA-N 1 3 319.493 2.336 20 0 DEADHO CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)N1CCCC1 ZINC001045824827 692032396 /nfs/dbraw/zinc/03/23/96/692032396.db2.gz FAGVSXHDVJEWTC-SJORKVTESA-N 1 3 319.493 2.336 20 0 DEADHO CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001045944749 692058828 /nfs/dbraw/zinc/05/88/28/692058828.db2.gz HLOLQHNXTWSQLC-WMZOPIPTSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001045944749 692058829 /nfs/dbraw/zinc/05/88/29/692058829.db2.gz HLOLQHNXTWSQLC-WMZOPIPTSA-N 1 3 309.498 2.297 20 0 DEADHO CCC[NH+]1CCC(NC[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)CC1 ZINC000886771617 692188398 /nfs/dbraw/zinc/18/83/98/692188398.db2.gz KZHPCEZBUXFKLG-CIRFHOKZSA-N 1 3 310.482 2.423 20 0 DEADHO C([C@H]1CC2(CO1)CCOCC2)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874776 692217783 /nfs/dbraw/zinc/21/77/83/692217783.db2.gz WOLFIFAKOMDBKV-SJLPKXTDSA-N 1 3 308.466 2.038 20 0 DEADHO C[C@]1([C@@H]2CCCN(CCC[NH+]3CCCCC3)C2)COC(=O)N1 ZINC000932020187 694529291 /nfs/dbraw/zinc/52/92/91/694529291.db2.gz HOFSDJPRASLODL-NVXWUHKLSA-N 1 3 309.454 2.073 20 0 DEADHO CC(C)[NH2+]C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001048478509 692626874 /nfs/dbraw/zinc/62/68/74/692626874.db2.gz GSJHKWUVGQKMPM-QAPCUYQASA-N 1 3 317.477 2.454 20 0 DEADHO CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC001048480925 692627451 /nfs/dbraw/zinc/62/74/51/692627451.db2.gz WWSVRARGBJRYCN-GOEBONIOSA-N 1 3 303.450 2.066 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC=C(C)C)C[C@@H]2C1 ZINC001049234077 692796834 /nfs/dbraw/zinc/79/68/34/692796834.db2.gz XUPQCUZDYQQVOH-KSZLIROESA-N 1 3 319.493 2.217 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC=C(C)C)C[C@@H]2C1 ZINC001049234077 692796839 /nfs/dbraw/zinc/79/68/39/692796839.db2.gz XUPQCUZDYQQVOH-KSZLIROESA-N 1 3 319.493 2.217 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049628758 692944724 /nfs/dbraw/zinc/94/47/24/692944724.db2.gz IOCFVIWCSYSYPJ-JKSUJKDBSA-N 1 3 307.482 2.336 20 0 DEADHO CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049628758 692944729 /nfs/dbraw/zinc/94/47/29/692944729.db2.gz IOCFVIWCSYSYPJ-JKSUJKDBSA-N 1 3 307.482 2.336 20 0 DEADHO CN(C)[C@@H](CNC1[C@@H]2CC[C@H]1C[N@@H+](C)C2)c1ccc(F)cc1 ZINC000924716196 693176306 /nfs/dbraw/zinc/17/63/06/693176306.db2.gz DBPCPABVVZKMOC-HZSIZEEPSA-N 1 3 305.441 2.358 20 0 DEADHO CN(C)[C@@H](CNC1[C@@H]2CC[C@H]1C[N@H+](C)C2)c1ccc(F)cc1 ZINC000924716196 693176307 /nfs/dbraw/zinc/17/63/07/693176307.db2.gz DBPCPABVVZKMOC-HZSIZEEPSA-N 1 3 305.441 2.358 20 0 DEADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1cccc(N2CCOC2=O)c1 ZINC000924737499 693179549 /nfs/dbraw/zinc/17/95/49/693179549.db2.gz PYAFONKVCLIYPF-FKEKPDDDSA-N 1 3 315.417 2.073 20 0 DEADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1cccc(N2CCOC2=O)c1 ZINC000924737499 693179552 /nfs/dbraw/zinc/17/95/52/693179552.db2.gz PYAFONKVCLIYPF-FKEKPDDDSA-N 1 3 315.417 2.073 20 0 DEADHO CN(C)C1(C(=O)N2CC3(C2)CC[NH+](CCC2CC2)CC3)CCC1 ZINC001050544655 693204547 /nfs/dbraw/zinc/20/45/47/693204547.db2.gz RRWQAAXZTDAJQS-UHFFFAOYSA-N 1 3 319.493 2.195 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC2(C1)CC[NH+](CCC1CC1)CC2)C1CC1 ZINC001050544116 693204725 /nfs/dbraw/zinc/20/47/25/693204725.db2.gz NXRKMYACEYGZOR-QGZVFWFLSA-N 1 3 319.493 2.051 20 0 DEADHO CC(C)=CC[NH+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC1 ZINC001050652122 693224438 /nfs/dbraw/zinc/22/44/38/693224438.db2.gz PQQLBQRICKGFIU-QGZVFWFLSA-N 1 3 321.509 2.463 20 0 DEADHO CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCCN3C(C)C)C2)CC1 ZINC001050688195 693232173 /nfs/dbraw/zinc/23/21/73/693232173.db2.gz XRZANSAMEYALMO-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1[C@H](NC(=O)N2CCC(C)([NH+]3CCCCC3)CC2)CCN1C ZINC000925353966 693261394 /nfs/dbraw/zinc/26/13/94/693261394.db2.gz ITSDPCKIQKYNDJ-JKSUJKDBSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@H]1NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000925510422 693286582 /nfs/dbraw/zinc/28/65/82/693286582.db2.gz WJHXXMDQIUEDHF-MAUKXSAKSA-N 1 3 315.461 2.269 20 0 DEADHO CC1(C)C[C@H]([NH3+])C[C@@H](NCc2ccc(Cn3cncn3)cc2)C1 ZINC000925536308 693291315 /nfs/dbraw/zinc/29/13/15/693291315.db2.gz COKHJWCFRRKZSC-IAGOWNOFSA-N 1 3 313.449 2.322 20 0 DEADHO CCN1CCN(Cc2ccc(N[C@@H]3CCC[NH2+][C@H]3C)cc2)CC1 ZINC000925571394 693299911 /nfs/dbraw/zinc/29/99/11/693299911.db2.gz HLKKQMRZBURDSO-QFBILLFUSA-N 1 3 316.493 2.377 20 0 DEADHO CCN1CCN(Cc2ccc(N[C@H]3CC[NH2+]C3(C)C)cc2)CC1 ZINC000925572680 693300898 /nfs/dbraw/zinc/30/08/98/693300898.db2.gz NANWLEKSCVJHOM-SFHVURJKSA-N 1 3 316.493 2.377 20 0 DEADHO C[C@H]1[NH2+]CCC[C@H]1NCCCC(=O)N1Cc2ccccc2C1 ZINC000925599414 693307441 /nfs/dbraw/zinc/30/74/41/693307441.db2.gz YWYRMSODDXWLSY-RHSMWYFYSA-N 1 3 301.434 2.039 20 0 DEADHO CCO[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)C12CCOCC2 ZINC000925642500 693315284 /nfs/dbraw/zinc/31/52/84/693315284.db2.gz UEKJBMJMYOPRLT-BPKGMFCQSA-N 1 3 322.493 2.327 20 0 DEADHO COC(=O)N1CCC(C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925670114 693322286 /nfs/dbraw/zinc/32/22/86/693322286.db2.gz HBWYNZMMWHKMPF-DLBZAZTESA-N 1 3 323.481 2.223 20 0 DEADHO c1ccc(CN2CCCCC[C@H](N[C@@H]3C[NH2+]CCOC3)C2)cc1 ZINC000925724542 693330239 /nfs/dbraw/zinc/33/02/39/693330239.db2.gz KJFOWAMGUMZAEJ-RBUKOAKNSA-N 1 3 317.477 2.009 20 0 DEADHO Cc1cc(C(F)(F)F)nn1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925804517 693344863 /nfs/dbraw/zinc/34/48/63/693344863.db2.gz JEPYWNOTBGBHBK-FOSCPWQOSA-N 1 3 302.344 2.083 20 0 DEADHO C[C@@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(F)c(F)c1 ZINC000925855421 693354969 /nfs/dbraw/zinc/35/49/69/693354969.db2.gz OFLFGHHDNXRJFE-DGCLKSJQSA-N 1 3 324.371 2.301 20 0 DEADHO c1cnc2c(c1)CCC[C@@H]2N[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000925871886 693358004 /nfs/dbraw/zinc/35/80/04/693358004.db2.gz LDDWNQOWYFFSKQ-NCOADZHNSA-N 1 3 301.434 2.206 20 0 DEADHO CC(C)CCN1CCC([NH2+][C@H]2C[C@@H](O)C23CCOCC3)CC1 ZINC000927151358 693561308 /nfs/dbraw/zinc/56/13/08/693561308.db2.gz AKLUFYGKFAMJRX-DLBZAZTESA-N 1 3 310.482 2.017 20 0 DEADHO CC[C@@H](F)CN1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052680408 693595026 /nfs/dbraw/zinc/59/50/26/693595026.db2.gz KEKOEYFSRUPARN-HZPDHXFCSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)[C@H](C(=O)NC1CCC(C)([NH+]2CCCC2)CC1)N(C)C ZINC000928011433 693700248 /nfs/dbraw/zinc/70/02/48/693700248.db2.gz RNNKVBJNXACGSE-UPTPFMHGSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C)cc2C)C1)N(C)C ZINC001402518783 1162377088 /nfs/dbraw/zinc/37/70/88/1162377088.db2.gz WDHUKJSJWZQPSD-KZNAEPCWSA-N 1 3 317.477 2.380 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]C[C@H](O)CC2CCCC2)C[C@@H](C)O1 ZINC001346192914 1150950363 /nfs/dbraw/zinc/95/03/63/1150950363.db2.gz YONRILBWLNVOHL-JFIYKMOQSA-N 1 3 312.498 2.407 20 0 DEADHO CC[NH+]1CCC(NC(=O)C[C@H](N)c2cc(C)nc(Cl)c2)CC1 ZINC001349458157 1151252168 /nfs/dbraw/zinc/25/21/68/1151252168.db2.gz RCNCBNJURMGOFN-AWEZNQCLSA-N 1 3 324.856 2.034 20 0 DEADHO CCC1([NH2+]CC2CC2)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001402686478 1162442503 /nfs/dbraw/zinc/44/25/03/1162442503.db2.gz STDXZKTXHLMZEX-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001402700351 1162444998 /nfs/dbraw/zinc/44/49/98/1162444998.db2.gz UKEXPJZZGYMXJU-INIZCTEOSA-N 1 3 318.465 2.279 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001402700351 1162445001 /nfs/dbraw/zinc/44/50/01/1162445001.db2.gz UKEXPJZZGYMXJU-INIZCTEOSA-N 1 3 318.465 2.279 20 0 DEADHO Cc1cccc(Cl)c1CN[C@H](C)CNC(=O)CC[NH+](C)C ZINC001480530162 1151842675 /nfs/dbraw/zinc/84/26/75/1151842675.db2.gz COWIBYVSABKYOK-CYBMUJFWSA-N 1 3 311.857 2.194 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]CC(C)C)CC1 ZINC001402781830 1162470595 /nfs/dbraw/zinc/47/05/95/1162470595.db2.gz MTRIRJDZVZNDIM-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@H]1CCCN(C/C=C/Cl)C1 ZINC001402783533 1162471047 /nfs/dbraw/zinc/47/10/47/1162471047.db2.gz PFQNADOJJJCRBF-SIEMXDPISA-N 1 3 315.889 2.297 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H]1CCCN(C/C=C/Cl)C1 ZINC001402783533 1162471050 /nfs/dbraw/zinc/47/10/50/1162471050.db2.gz PFQNADOJJJCRBF-SIEMXDPISA-N 1 3 315.889 2.297 20 0 DEADHO CCN(C)C(=O)CCN1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001414039456 1152545194 /nfs/dbraw/zinc/54/51/94/1152545194.db2.gz XKYUNRSLSHVLTC-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CCN(C)C(=O)CC[N@@H+]1CCC[C@H]1CCN1CCC(C)CC1 ZINC001414039456 1152545197 /nfs/dbraw/zinc/54/51/97/1152545197.db2.gz XKYUNRSLSHVLTC-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CCN(C)C(=O)CC[N@H+]1CCC[C@H]1CCN1CCC(C)CC1 ZINC001414039456 1152545199 /nfs/dbraw/zinc/54/51/99/1152545199.db2.gz XKYUNRSLSHVLTC-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]Cc1cccc(Cl)c1 ZINC001379452742 1152626743 /nfs/dbraw/zinc/62/67/43/1152626743.db2.gz ZACNWTVLOYMNSV-CYBMUJFWSA-N 1 3 311.857 2.276 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1([NH2+]CC2CCCC2)CC1 ZINC001380172979 1152761897 /nfs/dbraw/zinc/76/18/97/1152761897.db2.gz SBSGEMHTURIBCH-HUUCEWRRSA-N 1 3 307.482 2.288 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC001362023685 1152804623 /nfs/dbraw/zinc/80/46/23/1152804623.db2.gz LBJPOASLVBKLAH-KLAILNCOSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001380474374 1152818428 /nfs/dbraw/zinc/81/84/28/1152818428.db2.gz WBPLKPKASJYLJQ-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001380474374 1152818430 /nfs/dbraw/zinc/81/84/30/1152818430.db2.gz WBPLKPKASJYLJQ-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001380689295 1152844654 /nfs/dbraw/zinc/84/46/54/1152844654.db2.gz ZMOLIDJZOGANJZ-CVEARBPZSA-N 1 3 311.514 2.447 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001362325001 1152877837 /nfs/dbraw/zinc/87/78/37/1152877837.db2.gz HSDUYZZCCPBBSH-OCCSQVGLSA-N 1 3 304.438 2.030 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001362325001 1152877839 /nfs/dbraw/zinc/87/78/39/1152877839.db2.gz HSDUYZZCCPBBSH-OCCSQVGLSA-N 1 3 304.438 2.030 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](C(=O)NCCN2CCCC(C)(C)C2)C1 ZINC001363063099 1153205276 /nfs/dbraw/zinc/20/52/76/1153205276.db2.gz DWTUWBWWBJFWRV-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](C(=O)NCCN2CCCC(C)(C)C2)C1 ZINC001363063099 1153205278 /nfs/dbraw/zinc/20/52/78/1153205278.db2.gz DWTUWBWWBJFWRV-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](C(=O)N(C)[C@@H](C[NH2+]CC1CC1)C1CC1)N1CCCCCC1 ZINC001382035499 1153325889 /nfs/dbraw/zinc/32/58/89/1153325889.db2.gz VBGDKSYWFQNYCB-QAPCUYQASA-N 1 3 321.509 2.488 20 0 DEADHO CC1CCN(CC(=O)N2[C@H](C)CCC[C@H]2CC[NH+](C)C)CC1 ZINC001363492734 1153433109 /nfs/dbraw/zinc/43/31/09/1153433109.db2.gz RJGCCQJCEZLZEJ-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)NC/C=C\Cl ZINC001402972133 1162588575 /nfs/dbraw/zinc/58/85/75/1162588575.db2.gz WMMDFJBMGCEFJZ-JKEYDSJLSA-N 1 3 315.889 2.345 20 0 DEADHO CN(C[C@H]1CCN1CC1CC1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001388636625 1155049892 /nfs/dbraw/zinc/04/98/92/1155049892.db2.gz GVIBGUPCURPXFM-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1)N(C)C ZINC001388689128 1155066887 /nfs/dbraw/zinc/06/68/87/1155066887.db2.gz VCCNEXJKOONXEY-BBWFWOEESA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCF)N(C)C ZINC001389915195 1155470478 /nfs/dbraw/zinc/47/04/78/1155470478.db2.gz GEVPPFBWCKTJEV-UYTSQGDYSA-N 1 3 313.461 2.044 20 0 DEADHO CC(C)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCF)N(C)C ZINC001389915195 1155470483 /nfs/dbraw/zinc/47/04/83/1155470483.db2.gz GEVPPFBWCKTJEV-UYTSQGDYSA-N 1 3 313.461 2.044 20 0 DEADHO CC(C)[C@H](C(=O)NC1CCC([NH2+]C/C=C/Cl)CC1)N(C)C ZINC001371074553 1155683932 /nfs/dbraw/zinc/68/39/32/1155683932.db2.gz BAGVCLYCRIZOQU-CLEQESDUSA-N 1 3 315.889 2.342 20 0 DEADHO C[C@@H](CNC(=O)CC[NH+](C)C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC001390468970 1155740403 /nfs/dbraw/zinc/74/04/03/1155740403.db2.gz POWDPEARXMYGJN-RYUDHWBXSA-N 1 3 313.392 2.072 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CCc1ccccc1F)N(C)C ZINC001390510616 1155776176 /nfs/dbraw/zinc/77/61/76/1155776176.db2.gz RDLIDTYNCIMVCN-YOEHRIQHSA-N 1 3 323.456 2.049 20 0 DEADHO Cc1cccc(C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001390512739 1155777404 /nfs/dbraw/zinc/77/74/04/1155777404.db2.gz XDUQEFFXBXAVTF-NVXWUHKLSA-N 1 3 305.466 2.176 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001390569903 1155805723 /nfs/dbraw/zinc/80/57/23/1155805723.db2.gz DGGVQKFYCOIWDU-VOCYLRNQSA-N 1 3 315.461 2.232 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCc1ccccc1F ZINC001371331019 1155824645 /nfs/dbraw/zinc/82/46/45/1155824645.db2.gz BRYVFPGXDSLKNI-ILXRZTDVSA-N 1 3 321.440 2.150 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCc1ccccc1F ZINC001371331019 1155824648 /nfs/dbraw/zinc/82/46/48/1155824648.db2.gz BRYVFPGXDSLKNI-ILXRZTDVSA-N 1 3 321.440 2.150 20 0 DEADHO CCCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)[C@@H]1CCN(CC)C1 ZINC001391275208 1156306279 /nfs/dbraw/zinc/30/62/79/1156306279.db2.gz OIYUWPILRLWQCG-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO C[C@H](C(=O)N1CC[C@@H](CN(C)CCF)C1)[NH+]1CCCCCC1 ZINC001391365171 1156362735 /nfs/dbraw/zinc/36/27/35/1156362735.db2.gz WTPCPAIPVMHNLV-CVEARBPZSA-N 1 3 313.461 2.001 20 0 DEADHO CC(C)[C@H](C(=O)NCC1C[NH+](CCCC2CCC2)C1)N(C)C ZINC001391515328 1156484239 /nfs/dbraw/zinc/48/42/39/1156484239.db2.gz KFBZAZOAGFRCKB-QGZVFWFLSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001391583171 1156561466 /nfs/dbraw/zinc/56/14/66/1156561466.db2.gz BDAOONGLOLQPNU-NVXWUHKLSA-N 1 3 303.450 2.280 20 0 DEADHO C[C@@H](CNC(=O)CC[NH+](C)C)N(C)Cc1cc2ccccc2o1 ZINC001403175613 1162807556 /nfs/dbraw/zinc/80/75/56/1162807556.db2.gz ZQBRGRMKLXWFHS-AWEZNQCLSA-N 1 3 317.433 2.321 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)CCc1ccc(C)cc1)N(C)C ZINC001403176376 1162808271 /nfs/dbraw/zinc/80/82/71/1162808271.db2.gz WAOQNIAUIGHTMO-WMZOPIPTSA-N 1 3 319.493 2.314 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CCc1ccc(C)cc1)N(C)C ZINC001403176376 1162808272 /nfs/dbraw/zinc/80/82/72/1162808272.db2.gz WAOQNIAUIGHTMO-WMZOPIPTSA-N 1 3 319.493 2.314 20 0 DEADHO CC[C@H](CNC(=O)CC[NH+]1CCCCC1)NCc1ccns1 ZINC001391757316 1156780953 /nfs/dbraw/zinc/78/09/53/1156780953.db2.gz ZBQMNWRAMVNYIA-CQSZACIVSA-N 1 3 324.494 2.004 20 0 DEADHO CCC[NH2+][C@@H](CNC(=O)[C@H](C(C)C)N(C)C)c1ccccc1 ZINC001373055756 1156848292 /nfs/dbraw/zinc/84/82/92/1156848292.db2.gz FMXFYWZFSQRBDN-IRXDYDNUSA-N 1 3 305.466 2.430 20 0 DEADHO CC(C)[C@H](C(=O)NCC1([NH2+]CC2CCC2)CCCC1)N(C)C ZINC001392023616 1156851101 /nfs/dbraw/zinc/85/11/01/1156851101.db2.gz ORDYWHOYDNXFAQ-MRXNPFEDSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@H+](C)CC2CCCC2)C1 ZINC001373309594 1156963683 /nfs/dbraw/zinc/96/36/83/1156963683.db2.gz FQHICVHFMVKVHO-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001373309594 1156963698 /nfs/dbraw/zinc/96/36/98/1156963698.db2.gz FQHICVHFMVKVHO-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001403243821 1162826093 /nfs/dbraw/zinc/82/60/93/1162826093.db2.gz JOVGNSAFCFWVTA-HUUCEWRRSA-N 1 3 315.477 2.151 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CCC2CC2)C1)N1CCCCC1 ZINC001373651900 1157210750 /nfs/dbraw/zinc/21/07/50/1157210750.db2.gz SMHRGSGLFZMTHN-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCC2CC2)C1)N1CCCCC1 ZINC001373651900 1157210754 /nfs/dbraw/zinc/21/07/54/1157210754.db2.gz SMHRGSGLFZMTHN-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1cc(C)cc(C[NH2+]C[C@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001392618493 1157217019 /nfs/dbraw/zinc/21/70/19/1157217019.db2.gz MEZGBRSPBAYVDR-INIZCTEOSA-N 1 3 305.466 2.238 20 0 DEADHO CN(Cc1cccc(F)c1)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001403320113 1162849781 /nfs/dbraw/zinc/84/97/81/1162849781.db2.gz CTCUWJJHQQCRTQ-QGZVFWFLSA-N 1 3 321.440 2.200 20 0 DEADHO CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)NCc1cncs1 ZINC001373751808 1157339356 /nfs/dbraw/zinc/33/93/56/1157339356.db2.gz DZCARFIKNGCLIS-HIFRSBDPSA-N 1 3 324.494 2.000 20 0 DEADHO CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)NCc1cncs1 ZINC001373751808 1157339365 /nfs/dbraw/zinc/33/93/65/1157339365.db2.gz DZCARFIKNGCLIS-HIFRSBDPSA-N 1 3 324.494 2.000 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C[NH2+]CC1CC2(CCC2)C1)C1CC1)N(C)C ZINC001392786048 1157412138 /nfs/dbraw/zinc/41/21/38/1157412138.db2.gz SFGDBBBQTOCYBE-DLBZAZTESA-N 1 3 321.509 2.391 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CC1)N(C)C ZINC001392951930 1157563148 /nfs/dbraw/zinc/56/31/48/1157563148.db2.gz WAJASUQNVFGWNU-HNNXBMFYSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]C/C=C/Cl ZINC001403439720 1162882838 /nfs/dbraw/zinc/88/28/38/1162882838.db2.gz CUQRAPLJJGJLQE-VOTDVEDPSA-N 1 3 315.889 2.486 20 0 DEADHO CC[C@H](F)CN1CCC(C)(CNC(=O)CC[N@H+](C)CC)CC1 ZINC001393184510 1157734079 /nfs/dbraw/zinc/73/40/79/1157734079.db2.gz IIDOLBZQYDXMFO-HNNXBMFYSA-N 1 3 315.477 2.295 20 0 DEADHO CC[C@H](F)CN1CCC(C)(CNC(=O)CC[N@@H+](C)CC)CC1 ZINC001393184510 1157734087 /nfs/dbraw/zinc/73/40/87/1157734087.db2.gz IIDOLBZQYDXMFO-HNNXBMFYSA-N 1 3 315.477 2.295 20 0 DEADHO C[C@H](CN[C@@H](C)c1ccccc1F)N(C)C(=O)CC[NH+](C)C ZINC001374277847 1157796577 /nfs/dbraw/zinc/79/65/77/1157796577.db2.gz RMYSFFKDYSILJW-KGLIPLIRSA-N 1 3 309.429 2.275 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C[NH2+]CC1CC1)C1CCCCC1)N(C)C ZINC001374370306 1157830816 /nfs/dbraw/zinc/83/08/16/1157830816.db2.gz GBVXXCHAHCANEX-SJORKVTESA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CCC[N@H+](CC2CCCC2)CC1)N(C)C ZINC001393600855 1157876715 /nfs/dbraw/zinc/87/67/15/1157876715.db2.gz KACHXPIDRHXVHE-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)CC1)N(C)C ZINC001393600855 1157876718 /nfs/dbraw/zinc/87/67/18/1157876718.db2.gz KACHXPIDRHXVHE-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@H+](CC2CC(C)C2)CC1 ZINC001393604147 1157878134 /nfs/dbraw/zinc/87/81/34/1157878134.db2.gz STQXMTXDSCLEGA-JCYILVPMSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@@H+](CC2CC(C)C2)CC1 ZINC001393604147 1157878136 /nfs/dbraw/zinc/87/81/36/1157878136.db2.gz STQXMTXDSCLEGA-JCYILVPMSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1cccc(C)c1CN(C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001374557364 1157899295 /nfs/dbraw/zinc/89/92/95/1157899295.db2.gz ZQECSDBHVJIJAM-KRWDZBQOSA-N 1 3 317.477 2.145 20 0 DEADHO Cc1cccc(C)c1CN(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374557364 1157899296 /nfs/dbraw/zinc/89/92/96/1157899296.db2.gz ZQECSDBHVJIJAM-KRWDZBQOSA-N 1 3 317.477 2.145 20 0 DEADHO CC(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001393888554 1158048508 /nfs/dbraw/zinc/04/85/08/1158048508.db2.gz PKFSVEXOGIYTDS-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001393888554 1158048514 /nfs/dbraw/zinc/04/85/14/1158048514.db2.gz PKFSVEXOGIYTDS-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@@H](C[NH2+][C@H]1CCc2ccccc21)NC(=O)CN(C)C1CCC1 ZINC001374897086 1158081345 /nfs/dbraw/zinc/08/13/45/1158081345.db2.gz CEUWODMWJJFVOZ-KSSFIOAISA-N 1 3 315.461 2.253 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001374962007 1158130709 /nfs/dbraw/zinc/13/07/09/1158130709.db2.gz BIKBAMAZOBZOGW-KBPBESRZSA-N 1 3 319.440 2.248 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1csc(C)c1 ZINC001394000712 1158149480 /nfs/dbraw/zinc/14/94/80/1158149480.db2.gz OXPSRTROVCKKNP-KGLIPLIRSA-N 1 3 311.495 2.381 20 0 DEADHO C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)Cc1ccc(F)cc1 ZINC001394120484 1158313098 /nfs/dbraw/zinc/31/30/98/1158313098.db2.gz CHXHZFODKDDOLH-GOEBONIOSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)Cc1ccc(F)cc1 ZINC001394120484 1158313107 /nfs/dbraw/zinc/31/31/07/1158313107.db2.gz CHXHZFODKDDOLH-GOEBONIOSA-N 1 3 321.440 2.104 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C1C[NH+](CCc2cccs2)C1)N(C)C ZINC001394233128 1158386697 /nfs/dbraw/zinc/38/66/97/1158386697.db2.gz XKOJNCPDZLKTGJ-XJKSGUPXSA-N 1 3 323.506 2.067 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C[NH2+]CC1CCC1)C1CCCC1 ZINC001375797745 1158874927 /nfs/dbraw/zinc/87/49/27/1158874927.db2.gz UDDIKVOFNHMQJE-KRWDZBQOSA-N 1 3 318.465 2.325 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CCC2CCCC2)C1)N(C)C ZINC001376140105 1159160634 /nfs/dbraw/zinc/16/06/34/1159160634.db2.gz CWBNRMQRONBLNW-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](CCC2CCCC2)C1)N(C)C ZINC001376140105 1159160643 /nfs/dbraw/zinc/16/06/43/1159160643.db2.gz CWBNRMQRONBLNW-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO C[N@H+](CCC(=O)N[C@H]1CCN(CCCF)C1)C1CCCCC1 ZINC001376144825 1159166493 /nfs/dbraw/zinc/16/64/93/1159166493.db2.gz JXPZSOQBOVYJOY-HNNXBMFYSA-N 1 3 313.461 2.191 20 0 DEADHO C[N@@H+](CCC(=O)N[C@H]1CCN(CCCF)C1)C1CCCCC1 ZINC001376144825 1159166497 /nfs/dbraw/zinc/16/64/97/1159166497.db2.gz JXPZSOQBOVYJOY-HNNXBMFYSA-N 1 3 313.461 2.191 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H](C[N@H+](C)C[C@@H](F)CC)C1 ZINC001376294845 1159321015 /nfs/dbraw/zinc/32/10/15/1159321015.db2.gz QFKPLKYJJXDUTL-CVEARBPZSA-N 1 3 315.477 2.247 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H](C[N@@H+](C)C[C@@H](F)CC)C1 ZINC001376294845 1159321024 /nfs/dbraw/zinc/32/10/24/1159321024.db2.gz QFKPLKYJJXDUTL-CVEARBPZSA-N 1 3 315.477 2.247 20 0 DEADHO Cc1csc(N2CCC([NH2+][C@@H]3CC[C@H]4CN(C)C[C@H]43)CC2)n1 ZINC001414119022 1159529902 /nfs/dbraw/zinc/52/99/02/1159529902.db2.gz MKSFWNNCMKHOHI-NUEKZKHPSA-N 1 3 320.506 2.350 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2)C1 ZINC001376567675 1159546781 /nfs/dbraw/zinc/54/67/81/1159546781.db2.gz HDYZAIJZSRHYPY-GOSISDBHSA-N 1 3 317.477 2.355 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001376959177 1159857070 /nfs/dbraw/zinc/85/70/70/1159857070.db2.gz ZUJASBMNWCQAHG-MRXNPFEDSA-N 1 3 321.440 2.106 20 0 DEADHO CC(C)CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001377602016 1160579543 /nfs/dbraw/zinc/57/95/43/1160579543.db2.gz NRZOPOHFGSHQAZ-DOTOQJQBSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2csc(C)c2)[C@H]1C ZINC001403761168 1163146500 /nfs/dbraw/zinc/14/65/00/1163146500.db2.gz FIJUCTBSOVNHRF-ZBFHGGJFSA-N 1 3 323.506 2.477 20 0 DEADHO CCCN(C)CC(=O)NC1CC(C[NH2+]Cc2ccc(C)cc2)C1 ZINC001377737173 1160800891 /nfs/dbraw/zinc/80/08/91/1160800891.db2.gz UBKPAYBLEPYRPJ-UHFFFAOYSA-N 1 3 317.477 2.321 20 0 DEADHO Cc1cc(CN2CC[C@H](NC(=O)CC[NH+](C)C)C2)c(C)s1 ZINC001398321629 1160855853 /nfs/dbraw/zinc/85/58/53/1160855853.db2.gz DRUXXSQZLNALLF-HNNXBMFYSA-N 1 3 309.479 2.007 20 0 DEADHO CC(C)(C(=O)NC[C@@H]([NH2+]CC1CC1)C1CC1)N1CCCCC1 ZINC001398405112 1160879120 /nfs/dbraw/zinc/87/91/20/1160879120.db2.gz JTLQHFCDKWYRHY-MRXNPFEDSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CCC1)C1CC1 ZINC001398405391 1160879172 /nfs/dbraw/zinc/87/91/72/1160879172.db2.gz JVGBUIKAVIXYJP-SJORKVTESA-N 1 3 307.482 2.144 20 0 DEADHO C[N@H+](C/C=C/Cl)C[C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001398468431 1160900176 /nfs/dbraw/zinc/90/01/76/1160900176.db2.gz VIRYYDNNZSUGEC-KEDPEKRHSA-N 1 3 313.873 2.005 20 0 DEADHO C[N@@H+](C/C=C/Cl)C[C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001398468431 1160900190 /nfs/dbraw/zinc/90/01/90/1160900190.db2.gz VIRYYDNNZSUGEC-KEDPEKRHSA-N 1 3 313.873 2.005 20 0 DEADHO CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001378145682 1161053882 /nfs/dbraw/zinc/05/38/82/1161053882.db2.gz RDAOUHLANRALEW-WMLDXEAASA-N 1 3 315.477 2.436 20 0 DEADHO CCCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001378145682 1161053889 /nfs/dbraw/zinc/05/38/89/1161053889.db2.gz RDAOUHLANRALEW-WMLDXEAASA-N 1 3 315.477 2.436 20 0 DEADHO C[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)NC/C=C\Cl ZINC001399010635 1161188276 /nfs/dbraw/zinc/18/82/76/1161188276.db2.gz DKPKRIMEAVUWAQ-LBIZBFCRSA-N 1 3 315.889 2.488 20 0 DEADHO C[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)NC/C=C\Cl ZINC001399010635 1161188279 /nfs/dbraw/zinc/18/82/79/1161188279.db2.gz DKPKRIMEAVUWAQ-LBIZBFCRSA-N 1 3 315.889 2.488 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@@H](C)NC/C(Cl)=C\Cl)[NH+](C)C ZINC001399418493 1161385201 /nfs/dbraw/zinc/38/52/01/1161385201.db2.gz MCDLFYSFYTUUET-HIZVYSOWSA-N 1 3 324.296 2.376 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccccc1)N(C)C ZINC001399420413 1161386431 /nfs/dbraw/zinc/38/64/31/1161386431.db2.gz RBENIQPRTFBSKN-NVXWUHKLSA-N 1 3 305.466 2.257 20 0 DEADHO CN(CC(=O)NCC[N@H+](C)CC1CC(F)(F)C1)CC(C)(C)C ZINC001399577784 1161464219 /nfs/dbraw/zinc/46/42/19/1161464219.db2.gz SEWQVUYORAVVDU-UHFFFAOYSA-N 1 3 319.440 2.058 20 0 DEADHO CN(CC(=O)NCC[N@@H+](C)CC1CC(F)(F)C1)CC(C)(C)C ZINC001399577784 1161464220 /nfs/dbraw/zinc/46/42/20/1161464220.db2.gz SEWQVUYORAVVDU-UHFFFAOYSA-N 1 3 319.440 2.058 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC001399934332 1161612149 /nfs/dbraw/zinc/61/21/49/1161612149.db2.gz AOTQQHYWDPJTFY-MRXNPFEDSA-N 1 3 321.440 2.106 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC001399934332 1161612151 /nfs/dbraw/zinc/61/21/51/1161612151.db2.gz AOTQQHYWDPJTFY-MRXNPFEDSA-N 1 3 321.440 2.106 20 0 DEADHO CC(C)[N@H+](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001400027694 1161635912 /nfs/dbraw/zinc/63/59/12/1161635912.db2.gz HMEYEBGOXLTPFV-KRWDZBQOSA-N 1 3 313.461 2.188 20 0 DEADHO CC(C)[N@@H+](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001400027694 1161635914 /nfs/dbraw/zinc/63/59/14/1161635914.db2.gz HMEYEBGOXLTPFV-KRWDZBQOSA-N 1 3 313.461 2.188 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001400184051 1161680327 /nfs/dbraw/zinc/68/03/27/1161680327.db2.gz LYEJVXWSFGBSTD-WMZOPIPTSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001400184051 1161680329 /nfs/dbraw/zinc/68/03/29/1161680329.db2.gz LYEJVXWSFGBSTD-WMZOPIPTSA-N 1 3 321.509 2.347 20 0 DEADHO CC(C)C[N@H+](C)CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001400252049 1161699597 /nfs/dbraw/zinc/69/95/97/1161699597.db2.gz UJFRADSRCJFQPC-KRWDZBQOSA-N 1 3 311.514 2.399 20 0 DEADHO CC(C)C[N@@H+](C)CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001400252049 1161699599 /nfs/dbraw/zinc/69/95/99/1161699599.db2.gz UJFRADSRCJFQPC-KRWDZBQOSA-N 1 3 311.514 2.399 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1C[NH+](CC2CCC(C)CC2)C1)N(C)C ZINC001400498791 1161755607 /nfs/dbraw/zinc/75/56/07/1161755607.db2.gz HLQASYUNEAJDPM-HTWSVDAQSA-N 1 3 323.525 2.447 20 0 DEADHO CCc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)CN2CCCC2)c1 ZINC001401258280 1161907339 /nfs/dbraw/zinc/90/73/39/1161907339.db2.gz LRZMBZUIJNJHPC-MRXNPFEDSA-N 1 3 317.477 2.281 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC(CC[N@H+](C)CCCF)CC1 ZINC001401310827 1161924566 /nfs/dbraw/zinc/92/45/66/1161924566.db2.gz RRVCUBPJWIUYCZ-MRXNPFEDSA-N 1 3 313.461 2.001 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC(CC[N@@H+](C)CCCF)CC1 ZINC001401310827 1161924570 /nfs/dbraw/zinc/92/45/70/1161924570.db2.gz RRVCUBPJWIUYCZ-MRXNPFEDSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@H](C[NH2+][C@H]1CCc2ccccc21)NC(=O)CN(C)C1CCC1 ZINC001401623694 1162049902 /nfs/dbraw/zinc/04/99/02/1162049902.db2.gz CEUWODMWJJFVOZ-KDOFPFPSSA-N 1 3 315.461 2.253 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccccc1C)N(C)C ZINC001401691475 1162078255 /nfs/dbraw/zinc/07/82/55/1162078255.db2.gz BRFLIZGQSQABBX-ZMSDIMECSA-N 1 3 305.466 2.491 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccc(F)cc1C)N(C)C ZINC001401768628 1162118547 /nfs/dbraw/zinc/11/85/47/1162118547.db2.gz YQEWXAFBCMKNJG-RHSMWYFYSA-N 1 3 323.456 2.411 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(F)cc1C)N(C)C ZINC001401768628 1162118550 /nfs/dbraw/zinc/11/85/50/1162118550.db2.gz YQEWXAFBCMKNJG-RHSMWYFYSA-N 1 3 323.456 2.411 20 0 DEADHO Cc1ccc(F)cc1CN(C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001401775768 1162124897 /nfs/dbraw/zinc/12/48/97/1162124897.db2.gz DODBAAGPKGJQRE-CQSZACIVSA-N 1 3 309.429 2.022 20 0 DEADHO CCC[N@H+](C)CCC(=O)N(C)C1CN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001402032608 1162222663 /nfs/dbraw/zinc/22/26/63/1162222663.db2.gz HPBVVPRFHSVBQQ-ZACQAIPSSA-N 1 3 321.509 2.297 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N(C)C1CN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001402032608 1162222664 /nfs/dbraw/zinc/22/26/64/1162222664.db2.gz HPBVVPRFHSVBQQ-ZACQAIPSSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@@H](F)C[N@@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001404494644 1163682029 /nfs/dbraw/zinc/68/20/29/1163682029.db2.gz BGVIHTPMTCHBGC-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@@H](F)C[N@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001404494644 1163682033 /nfs/dbraw/zinc/68/20/33/1163682033.db2.gz BGVIHTPMTCHBGC-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@@H](C(=O)NCC1C[NH+]([C@@H](C)c2cccc(C)c2)C1)N(C)C ZINC001404917499 1163859399 /nfs/dbraw/zinc/85/93/99/1163859399.db2.gz BUDZGVNLRDKYLQ-YJBOKZPZSA-N 1 3 317.477 2.444 20 0 DEADHO CC(C)CCC[NH+]1CC(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001404934801 1163864667 /nfs/dbraw/zinc/86/46/67/1163864667.db2.gz VGISBPRCYXXCBE-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cccc(C)c1 ZINC001405409593 1164076737 /nfs/dbraw/zinc/07/67/37/1164076737.db2.gz YVKFPECFHHVTNS-KRWDZBQOSA-N 1 3 317.477 2.464 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001405728338 1164207442 /nfs/dbraw/zinc/20/74/42/1164207442.db2.gz HNEMAEJRBFGNEE-FUHWJXTLSA-N 1 3 319.493 2.423 20 0 DEADHO C[C@@H](CNCc1cncs1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001406531748 1164659775 /nfs/dbraw/zinc/65/97/75/1164659775.db2.gz IXEXPNOOHVLTLD-KBPBESRZSA-N 1 3 324.494 2.002 20 0 DEADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCC1(NCc2ccsc2)CC1 ZINC001406939807 1164888919 /nfs/dbraw/zinc/88/89/19/1164888919.db2.gz XAIQRHBPBSOLAQ-HNNXBMFYSA-N 1 3 321.490 2.361 20 0 DEADHO C[N@H+]1CCC[C@H]1CCC(=O)NCC1(NCc2ccsc2)CC1 ZINC001406939807 1164888923 /nfs/dbraw/zinc/88/89/23/1164888923.db2.gz XAIQRHBPBSOLAQ-HNNXBMFYSA-N 1 3 321.490 2.361 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1(C)CC[NH+](CCC2CC2)CC1 ZINC001407131839 1164995711 /nfs/dbraw/zinc/99/57/11/1164995711.db2.gz KDPXAVUCGJCOPL-UHFFFAOYSA-N 1 3 304.438 2.031 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1)N(C)C ZINC001407539668 1165188902 /nfs/dbraw/zinc/18/89/02/1165188902.db2.gz ZKQFALRGJFOYRM-MHORFTMASA-N 1 3 321.509 2.486 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1)N(C)C ZINC001407539668 1165188905 /nfs/dbraw/zinc/18/89/05/1165188905.db2.gz ZKQFALRGJFOYRM-MHORFTMASA-N 1 3 321.509 2.486 20 0 DEADHO CC[N@H+](CCNC(=O)CN(C)C1CCC1)Cc1ccccc1 ZINC001492967450 1165313262 /nfs/dbraw/zinc/31/32/62/1165313262.db2.gz LJYXDBWQBONXQG-UHFFFAOYSA-N 1 3 303.450 2.109 20 0 DEADHO CC[N@@H+](CCNC(=O)CN(C)C1CCC1)Cc1ccccc1 ZINC001492967450 1165313271 /nfs/dbraw/zinc/31/32/71/1165313271.db2.gz LJYXDBWQBONXQG-UHFFFAOYSA-N 1 3 303.450 2.109 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001417759025 1167192192 /nfs/dbraw/zinc/19/21/92/1167192192.db2.gz XJDQZKZPDBPLJO-WBVHZDCISA-N 1 3 303.450 2.232 20 0 DEADHO CC(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001417796349 1167220334 /nfs/dbraw/zinc/22/03/34/1167220334.db2.gz IXWBNHKGNBAJAX-BRWVUGGUSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001417842844 1167249658 /nfs/dbraw/zinc/24/96/58/1167249658.db2.gz RIGZMVUUNRDWHD-ZACQAIPSSA-N 1 3 309.498 2.153 20 0 DEADHO CC[C@@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001417842844 1167249664 /nfs/dbraw/zinc/24/96/64/1167249664.db2.gz RIGZMVUUNRDWHD-ZACQAIPSSA-N 1 3 309.498 2.153 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]C/C=C\Cl ZINC001417892647 1167287482 /nfs/dbraw/zinc/28/74/82/1167287482.db2.gz QMLBKRIQFSWBLD-RJXMKIDGSA-N 1 3 315.889 2.440 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]C/C=C\Cl ZINC001417892650 1167287847 /nfs/dbraw/zinc/28/78/47/1167287847.db2.gz QMLBKRIQFSWBLD-UEDYQVLESA-N 1 3 315.889 2.440 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001418062046 1167389617 /nfs/dbraw/zinc/38/96/17/1167389617.db2.gz LSPLNZFBEOYGOA-BZSNNMDCSA-N 1 3 317.477 2.318 20 0 DEADHO CN(C)C1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCC2CC2)CCC1 ZINC001418081290 1167400986 /nfs/dbraw/zinc/40/09/86/1167400986.db2.gz RYGPXVGXBNRDPM-ALOPSCKCSA-N 1 3 319.493 2.382 20 0 DEADHO CN(C)C1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC2CC2)CCC1 ZINC001418081290 1167400989 /nfs/dbraw/zinc/40/09/89/1167400989.db2.gz RYGPXVGXBNRDPM-ALOPSCKCSA-N 1 3 319.493 2.382 20 0 DEADHO CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](F)CN(CC)CC ZINC001418151470 1167441348 /nfs/dbraw/zinc/44/13/48/1167441348.db2.gz UZDGGSQDNBGOSO-HUUCEWRRSA-N 1 3 301.450 2.047 20 0 DEADHO CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](F)CN(CC)CC ZINC001418151470 1167441352 /nfs/dbraw/zinc/44/13/52/1167441352.db2.gz UZDGGSQDNBGOSO-HUUCEWRRSA-N 1 3 301.450 2.047 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC1CC2(CCC2)C1 ZINC001418277848 1167542090 /nfs/dbraw/zinc/54/20/90/1167542090.db2.gz YPUBBJHXGHKPGK-GJZGRUSLSA-N 1 3 307.482 2.003 20 0 DEADHO CCC(CC)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001418335051 1167584010 /nfs/dbraw/zinc/58/40/10/1167584010.db2.gz YPFRIKJRHZSVFM-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1cccc(C)c1C[N@@H+](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001418492989 1167711580 /nfs/dbraw/zinc/71/15/80/1167711580.db2.gz DOQZKTXIEKLFBD-HNNXBMFYSA-N 1 3 317.477 2.193 20 0 DEADHO Cc1cccc(C)c1C[N@H+](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001418492989 1167711601 /nfs/dbraw/zinc/71/16/01/1167711601.db2.gz DOQZKTXIEKLFBD-HNNXBMFYSA-N 1 3 317.477 2.193 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[N@H+](C)[C@@H]2CCc3ccccc32)C1 ZINC001418493938 1167712686 /nfs/dbraw/zinc/71/26/86/1167712686.db2.gz IUFOEBGETPAXSE-CRAIPNDOSA-N 1 3 315.461 2.064 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[N@@H+](C)[C@@H]2CCc3ccccc32)C1 ZINC001418493938 1167712695 /nfs/dbraw/zinc/71/26/95/1167712695.db2.gz IUFOEBGETPAXSE-CRAIPNDOSA-N 1 3 315.461 2.064 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](CC)Cc1cccc(C)c1)N(C)C ZINC001418552381 1167807316 /nfs/dbraw/zinc/80/73/16/1167807316.db2.gz PRTSBSRKQVDUJT-QGZVFWFLSA-N 1 3 305.466 2.273 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](CC)Cc1cccc(C)c1)N(C)C ZINC001418552381 1167807318 /nfs/dbraw/zinc/80/73/18/1167807318.db2.gz PRTSBSRKQVDUJT-QGZVFWFLSA-N 1 3 305.466 2.273 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CC[N@H+](CCC2CCCC2)C1)N(C)C ZINC001418678874 1167880489 /nfs/dbraw/zinc/88/04/89/1167880489.db2.gz CBPMIAKRMXWCQJ-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](CCC2CCCC2)C1)N(C)C ZINC001418678874 1167880491 /nfs/dbraw/zinc/88/04/91/1167880491.db2.gz CBPMIAKRMXWCQJ-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)(C(=O)NCC[N@H+](CC1CC1)C1CC1)N1CCCCC1 ZINC001418765778 1167951681 /nfs/dbraw/zinc/95/16/81/1167951681.db2.gz QDPBIEWWNQWUEX-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)(C(=O)NCC[N@@H+](CC1CC1)C1CC1)N1CCCCC1 ZINC001418765778 1167951684 /nfs/dbraw/zinc/95/16/84/1167951684.db2.gz QDPBIEWWNQWUEX-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCCN1C)c1ccccc1 ZINC001418819642 1167986804 /nfs/dbraw/zinc/98/68/04/1167986804.db2.gz YZEZSICKSJGWKT-DLBZAZTESA-N 1 3 303.450 2.280 20 0 DEADHO Cc1ccccc1[C@H](C)N1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001419029135 1168145183 /nfs/dbraw/zinc/14/51/83/1168145183.db2.gz CQYNTWUYGGOOJC-INIZCTEOSA-N 1 3 317.477 2.446 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](NCc2cc(C)ccc2F)C1 ZINC001419514398 1168560982 /nfs/dbraw/zinc/56/09/82/1168560982.db2.gz UCQFPDZZGVPYLN-IYBDPMFKSA-N 1 3 321.440 2.213 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NCc2cc(C)ccc2F)C1 ZINC001419514398 1168560993 /nfs/dbraw/zinc/56/09/93/1168560993.db2.gz UCQFPDZZGVPYLN-IYBDPMFKSA-N 1 3 321.440 2.213 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCC(F)(F)F)[C@H](C)C1 ZINC001419831733 1168865014 /nfs/dbraw/zinc/86/50/14/1168865014.db2.gz WALHYKAORWYUKD-CHWSQXEVSA-N 1 3 323.403 2.106 20 0 DEADHO CC(C)[N@H+](C)CCC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001419852485 1168874569 /nfs/dbraw/zinc/87/45/69/1168874569.db2.gz VGQGCRNCQADCQT-UHFFFAOYSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)[N@@H+](C)CCC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001419852485 1168874576 /nfs/dbraw/zinc/87/45/76/1168874576.db2.gz VGQGCRNCQADCQT-UHFFFAOYSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001419931870 1168951494 /nfs/dbraw/zinc/95/14/94/1168951494.db2.gz GNTMUDPBJKLYDM-CYBMUJFWSA-N 1 3 311.857 2.275 20 0 DEADHO CC(C)[NH2+][C@H](C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001420134622 1169186210 /nfs/dbraw/zinc/18/62/10/1169186210.db2.gz WSFVZWMOVZWQPK-CJNGLKHVSA-N 1 3 301.450 2.092 20 0 DEADHO C[C@@H](c1ccc(F)cc1)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001420215867 1169253399 /nfs/dbraw/zinc/25/33/99/1169253399.db2.gz BMSJQVMVNLECPR-JJRVBVJISA-N 1 3 321.440 2.275 20 0 DEADHO C[C@@H](c1ccc(F)cc1)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001420215867 1169253407 /nfs/dbraw/zinc/25/34/07/1169253407.db2.gz BMSJQVMVNLECPR-JJRVBVJISA-N 1 3 321.440 2.275 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCc2ccccc21)N(C)C ZINC001420427941 1169532648 /nfs/dbraw/zinc/53/26/48/1169532648.db2.gz NPBPETWLUFPMSE-WBAXXEDZSA-N 1 3 317.477 2.354 20 0 DEADHO C[C@@H](CNCc1ccccc1Cl)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001420504521 1169680000 /nfs/dbraw/zinc/68/00/00/1169680000.db2.gz HMHUCPUYXRZVQS-KBPBESRZSA-N 1 3 323.868 2.276 20 0 DEADHO C[C@@H](CNCc1ccccc1Cl)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001420504521 1169680038 /nfs/dbraw/zinc/68/00/38/1169680038.db2.gz HMHUCPUYXRZVQS-KBPBESRZSA-N 1 3 323.868 2.276 20 0 DEADHO CCC[N@H+](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001420683042 1169866616 /nfs/dbraw/zinc/86/66/16/1169866616.db2.gz OLDKWOWPZSHBCN-KRWDZBQOSA-N 1 3 313.461 2.190 20 0 DEADHO CCC[N@@H+](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001420683042 1169866618 /nfs/dbraw/zinc/86/66/18/1169866618.db2.gz OLDKWOWPZSHBCN-KRWDZBQOSA-N 1 3 313.461 2.190 20 0 DEADHO CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001421295461 1171685066 /nfs/dbraw/zinc/68/50/66/1171685066.db2.gz GFQSDTFWNSBILF-SJLPKXTDSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001421295461 1171685070 /nfs/dbraw/zinc/68/50/70/1171685070.db2.gz GFQSDTFWNSBILF-SJLPKXTDSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1ccc(C)nc1C ZINC001421468074 1171811590 /nfs/dbraw/zinc/81/15/90/1171811590.db2.gz AIYORHBINJRDNQ-SJORKVTESA-N 1 3 320.481 2.023 20 0 DEADHO CC[C@@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1ccc(C)nc1C ZINC001421468069 1171811442 /nfs/dbraw/zinc/81/14/42/1171811442.db2.gz AIYORHBINJRDNQ-IRXDYDNUSA-N 1 3 320.481 2.023 20 0 DEADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCc1cc(C)ccc1F ZINC001421483324 1171817262 /nfs/dbraw/zinc/81/72/62/1171817262.db2.gz AOZQIEIZXIKMBN-HOCLYGCPSA-N 1 3 321.440 2.070 20 0 DEADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1cc(C)ccc1F ZINC001421483324 1171817263 /nfs/dbraw/zinc/81/72/63/1171817263.db2.gz AOZQIEIZXIKMBN-HOCLYGCPSA-N 1 3 321.440 2.070 20 0 DEADHO O=C(CN1CCCC1)NCCC1CC[NH+](C/C=C\Cl)CC1 ZINC001421637408 1171877889 /nfs/dbraw/zinc/87/78/89/1171877889.db2.gz NIFHXKUMFAUKBU-CLTKARDFSA-N 1 3 313.873 2.053 20 0 DEADHO CC(C)[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]C/C=C/Cl ZINC001422119462 1172318095 /nfs/dbraw/zinc/31/80/95/1172318095.db2.gz NIUGZXWXRRZWHU-JYASZMECSA-N 1 3 303.878 2.056 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC2CCC2)C1 ZINC001422250343 1172437259 /nfs/dbraw/zinc/43/72/59/1172437259.db2.gz SKOCNXIZLPGTBK-IRXDYDNUSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC2CCC2)C1 ZINC001422250343 1172437266 /nfs/dbraw/zinc/43/72/66/1172437266.db2.gz SKOCNXIZLPGTBK-IRXDYDNUSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@H](C(=O)N(C)C1CCC([NH2+]CCC2CC2)CC1)N(C)C ZINC001422409346 1172562407 /nfs/dbraw/zinc/56/24/07/1172562407.db2.gz OLRPOPOJLLNVOS-OFLPRAFFSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)CCc1ccccc1 ZINC001422533759 1172681550 /nfs/dbraw/zinc/68/15/50/1172681550.db2.gz UNINSWSXIYUUIW-INIZCTEOSA-N 1 3 317.477 2.150 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)CCc1ccccc1 ZINC001422533759 1172681555 /nfs/dbraw/zinc/68/15/55/1172681555.db2.gz UNINSWSXIYUUIW-INIZCTEOSA-N 1 3 317.477 2.150 20 0 DEADHO Cc1ccc(CN(C)[C@H](C)CNC(=O)CC[NH+](C)C)cc1F ZINC001422559004 1172708823 /nfs/dbraw/zinc/70/88/23/1172708823.db2.gz FWVKCWUNPKLYPQ-CQSZACIVSA-N 1 3 309.429 2.022 20 0 DEADHO Cc1cc(CNC2CC[NH+](C3CCN(C)CC3)CC2)cc(C)n1 ZINC001422602022 1172751723 /nfs/dbraw/zinc/75/17/23/1172751723.db2.gz CRGGRIUVCRCQSE-UHFFFAOYSA-N 1 3 316.493 2.347 20 0 DEADHO CN(C(=O)Cc1c[nH]cn1)[C@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001422981011 1172995326 /nfs/dbraw/zinc/99/53/26/1172995326.db2.gz CMCTYBARSPWKQQ-QGZVFWFLSA-N 1 3 318.465 2.359 20 0 DEADHO CC(C)N1CCC([NH2+][C@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC001423103976 1173078090 /nfs/dbraw/zinc/07/80/90/1173078090.db2.gz RUQYDGFKFQAIHY-INIZCTEOSA-N 1 3 301.434 2.254 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCC1CC1 ZINC001423136108 1173105669 /nfs/dbraw/zinc/10/56/69/1173105669.db2.gz ZYTDJOLZDCCFOA-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC2CCCCC2)C[C@H]1C ZINC001423342330 1173268668 /nfs/dbraw/zinc/26/86/68/1173268668.db2.gz DCRHCOAOJWOSLJ-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO CC[NH+]1CCC2(CCN(C(=O)CN(C)CC(C)(C)C)C2)CC1 ZINC001423361668 1173301538 /nfs/dbraw/zinc/30/15/38/1173301538.db2.gz QNDUPGHQSHNPHY-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CNc1ccc(C)cc1CN1CCC([NH+]2CCN(C)CC2)CC1 ZINC001423381318 1173318170 /nfs/dbraw/zinc/31/81/70/1173318170.db2.gz MAKWFNJNBQKNFB-UHFFFAOYSA-N 1 3 316.493 2.249 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCC1)C2 ZINC001423928840 1173579004 /nfs/dbraw/zinc/57/90/04/1173579004.db2.gz LDJQGMSWBYJWPC-ULQDDVLXSA-N 1 3 307.482 2.096 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCC1)C2 ZINC001423928840 1173579007 /nfs/dbraw/zinc/57/90/07/1173579007.db2.gz LDJQGMSWBYJWPC-ULQDDVLXSA-N 1 3 307.482 2.096 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2cccc(C)c2)CCC1 ZINC001424218623 1173704600 /nfs/dbraw/zinc/70/46/00/1173704600.db2.gz DGECNRRKIXXBKM-UHFFFAOYSA-N 1 3 317.477 2.465 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)CC[N@@H+]1CC1CC1 ZINC001424546215 1173825897 /nfs/dbraw/zinc/82/58/97/1173825897.db2.gz GRVQJKOTDOPTAB-HOCLYGCPSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)CC[N@H+]1CC1CC1 ZINC001424546215 1173825904 /nfs/dbraw/zinc/82/59/04/1173825904.db2.gz GRVQJKOTDOPTAB-HOCLYGCPSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC001425274288 1174269356 /nfs/dbraw/zinc/26/93/56/1174269356.db2.gz VZIFTHNDCAPULO-AWEZNQCLSA-N 1 3 309.498 2.201 20 0 DEADHO Cc1cn(C)nc1CNCC1(c2ccccc2)CC[NH+](C)CC1 ZINC001434514187 1178727094 /nfs/dbraw/zinc/72/70/94/1178727094.db2.gz HOOOBRNGWCZIHQ-UHFFFAOYSA-N 1 3 312.461 2.482 20 0 DEADHO CCCC[N@H+](C)C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001436836690 1179272605 /nfs/dbraw/zinc/27/26/05/1179272605.db2.gz GAXRTBDJGUBLJH-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001436836690 1179272610 /nfs/dbraw/zinc/27/26/10/1179272610.db2.gz GAXRTBDJGUBLJH-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO CCN(CCNC(=O)C1(C[NH+](C)C)CC1)Cc1cccc(C)c1 ZINC001437616859 1179864325 /nfs/dbraw/zinc/86/43/25/1179864325.db2.gz LWAWBVDETMFVAR-UHFFFAOYSA-N 1 3 317.477 2.275 20 0 DEADHO CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1ccccc1 ZINC001438308808 1180336955 /nfs/dbraw/zinc/33/69/55/1180336955.db2.gz FLAMPXKUNDYKDF-SJORKVTESA-N 1 3 305.466 2.257 20 0 DEADHO CCCC[N@H+](C)CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001438779145 1180810325 /nfs/dbraw/zinc/81/03/25/1180810325.db2.gz PXANXTSXHMVUJD-UHFFFAOYSA-N 1 3 306.454 2.313 20 0 DEADHO CCCC[N@@H+](C)CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001438779145 1180810327 /nfs/dbraw/zinc/81/03/27/1180810327.db2.gz PXANXTSXHMVUJD-UHFFFAOYSA-N 1 3 306.454 2.313 20 0 DEADHO CC(C)[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)[NH2+]CC1CC1 ZINC001438835147 1180825645 /nfs/dbraw/zinc/82/56/45/1180825645.db2.gz ORDVYLARUBNTJD-WBVHZDCISA-N 1 3 309.498 2.391 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H](C)CNCc1ccccc1Cl ZINC001439164022 1180905578 /nfs/dbraw/zinc/90/55/78/1180905578.db2.gz QSDBIPGSRMYCPF-CYBMUJFWSA-N 1 3 311.857 2.276 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CNCc1ccccc1Cl ZINC001439164022 1180905592 /nfs/dbraw/zinc/90/55/92/1180905592.db2.gz QSDBIPGSRMYCPF-CYBMUJFWSA-N 1 3 311.857 2.276 20 0 DEADHO C[C@H](C[N@H+](C)CC1CC2(CCC2)C1)NC(=O)CN1CC[C@H](C)C1 ZINC001439364037 1181045490 /nfs/dbraw/zinc/04/54/90/1181045490.db2.gz GNZHZMAPILVPGM-JKSUJKDBSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H](C[N@@H+](C)CC1CC2(CCC2)C1)NC(=O)CN1CC[C@H](C)C1 ZINC001439364037 1181045493 /nfs/dbraw/zinc/04/54/93/1181045493.db2.gz GNZHZMAPILVPGM-JKSUJKDBSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCC1)N(CC)CC ZINC001439550988 1181138935 /nfs/dbraw/zinc/13/89/35/1181138935.db2.gz ZBBNFUGZXCVUBZ-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CC[N@H+]1CC1CCCC1)N(CC)CC ZINC001439550988 1181138941 /nfs/dbraw/zinc/13/89/41/1181138941.db2.gz ZBBNFUGZXCVUBZ-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](C(=O)NCC1(NC/C=C/Cl)CC1)[NH+]1CCCCCC1 ZINC001439661304 1181190051 /nfs/dbraw/zinc/19/00/51/1181190051.db2.gz YKCAGYLMSBCDRI-MRZGDXHCSA-N 1 3 313.873 2.242 20 0 DEADHO C[C@H]1CCN(CC(=O)NC2(C)CC[NH+](CCC3CC3)CC2)C1 ZINC001439802962 1181241570 /nfs/dbraw/zinc/24/15/70/1181241570.db2.gz RAJJWNWQSSRUNF-HNNXBMFYSA-N 1 3 307.482 2.099 20 0 DEADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2C1)CC(C)(C)C ZINC001440150530 1181367196 /nfs/dbraw/zinc/36/71/96/1181367196.db2.gz PBYIQKIVLPGWAI-CALCHBBNSA-N 1 3 321.509 2.155 20 0 DEADHO CN(CC(=O)N1C[C@@H]2C[N@H+](CCC3CC3)C[C@@H]2C1)CC(C)(C)C ZINC001440150530 1181367204 /nfs/dbraw/zinc/36/72/04/1181367204.db2.gz PBYIQKIVLPGWAI-CALCHBBNSA-N 1 3 321.509 2.155 20 0 DEADHO CC[C@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001440334052 1181452907 /nfs/dbraw/zinc/45/29/07/1181452907.db2.gz LQMNAHURDVVEPX-YHUYYLMFSA-N 1 3 313.461 2.092 20 0 DEADHO CC[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccccc1)N(C)C ZINC001440463315 1181533510 /nfs/dbraw/zinc/53/35/10/1181533510.db2.gz DYNJVWFROGONRD-KRWDZBQOSA-N 1 3 305.466 2.307 20 0 DEADHO CC[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccccc1)N(C)C ZINC001440463315 1181533517 /nfs/dbraw/zinc/53/35/17/1181533517.db2.gz DYNJVWFROGONRD-KRWDZBQOSA-N 1 3 305.466 2.307 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCC2CC2)[C@@H]1C)N(CC)CC ZINC001440499497 1181562520 /nfs/dbraw/zinc/56/25/20/1181562520.db2.gz TWMPNACBCVVPCV-PVAVHDDUSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CCC2CC2)[C@@H]1C)N(CC)CC ZINC001440499497 1181562524 /nfs/dbraw/zinc/56/25/24/1181562524.db2.gz TWMPNACBCVVPCV-PVAVHDDUSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CC[NH2+][C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001440611804 1181613162 /nfs/dbraw/zinc/61/31/62/1181613162.db2.gz XQUCQXHKSQWNIL-HOTGVXAUSA-N 1 3 311.514 2.447 20 0 DEADHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)NCc1ccsc1 ZINC001441581992 1182072781 /nfs/dbraw/zinc/07/27/81/1182072781.db2.gz CKMPNLSLGQUGSE-CYBMUJFWSA-N 1 3 309.479 2.026 20 0 DEADHO C[NH+](C)CCCC(=O)N1CC[C@H](CNC/C(Cl)=C/Cl)C1 ZINC001442142291 1182343284 /nfs/dbraw/zinc/34/32/84/1182343284.db2.gz LUKNXWBXOZPVAV-YFBAIUBQSA-N 1 3 322.280 2.085 20 0 DEADHO CN(CC(=O)N[C@@H](C[NH2+]CC1CC1)C(C)(C)C)CC(C)(C)C ZINC001442175574 1182353097 /nfs/dbraw/zinc/35/30/97/1182353097.db2.gz FDKCVVLRRBLAKA-HNNXBMFYSA-N 1 3 311.514 2.495 20 0 DEADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccsc1 ZINC001442363254 1182436728 /nfs/dbraw/zinc/43/67/28/1182436728.db2.gz ZHSVZWGAWYONBN-CYBMUJFWSA-N 1 3 309.479 2.217 20 0 DEADHO CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001442874235 1182760153 /nfs/dbraw/zinc/76/01/53/1182760153.db2.gz AOPWWWPMSZSKLG-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO CCCC[N@H+]1CC[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001442874235 1182760163 /nfs/dbraw/zinc/76/01/63/1182760163.db2.gz AOPWWWPMSZSKLG-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)CN(C)C(C)C)C2)cc1 ZINC001442904116 1182785812 /nfs/dbraw/zinc/78/58/12/1182785812.db2.gz JCWDATMTHFDZHU-SFHVURJKSA-N 1 3 317.477 2.273 20 0 DEADHO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)CN(C)C(C)C)C2)cc1 ZINC001442904116 1182785822 /nfs/dbraw/zinc/78/58/22/1182785822.db2.gz JCWDATMTHFDZHU-SFHVURJKSA-N 1 3 317.477 2.273 20 0 DEADHO CC[C@H](C(=O)NC1(C[NH2+]CC2CC(C)C2)CCCC1)N(C)C ZINC001444068677 1183277751 /nfs/dbraw/zinc/27/77/51/1183277751.db2.gz HLEVDLFOBWYOIF-UYSNPLJNSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+]Cc1ccccc1 ZINC001444325341 1183348120 /nfs/dbraw/zinc/34/81/20/1183348120.db2.gz KLPNXZMXZBEVLG-HNNXBMFYSA-N 1 3 303.450 2.013 20 0 DEADHO C[C@H](c1ccccc1)N(C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001445072863 1183758949 /nfs/dbraw/zinc/75/89/49/1183758949.db2.gz ROMKANKBGFZFHW-MRXNPFEDSA-N 1 3 315.461 2.234 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cccc(F)c1 ZINC001445659348 1183958163 /nfs/dbraw/zinc/95/81/63/1183958163.db2.gz UKFBQCRCOSCBEY-YOEHRIQHSA-N 1 3 321.440 2.294 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)C1CC1)N(C)C ZINC001445992683 1184168360 /nfs/dbraw/zinc/16/83/60/1184168360.db2.gz OVCRWNGPBHFTIK-IRXDYDNUSA-N 1 3 323.525 2.493 20 0 DEADHO CC[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1[NH2+]CCC1CC1 ZINC001446000854 1184170982 /nfs/dbraw/zinc/17/09/82/1184170982.db2.gz APGZHOBGFKRATL-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NC[C@H]1CC[N@@H+]1CCC(C)(C)C ZINC001446050020 1184199004 /nfs/dbraw/zinc/19/90/04/1184199004.db2.gz CZXWNUHNOOQKBW-CABCVRRESA-N 1 3 315.477 2.293 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NC[C@H]1CC[N@H+]1CCC(C)(C)C ZINC001446050020 1184199016 /nfs/dbraw/zinc/19/90/16/1184199016.db2.gz CZXWNUHNOOQKBW-CABCVRRESA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)CN1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001446120207 1184234996 /nfs/dbraw/zinc/23/49/96/1184234996.db2.gz DSHWFDBVPPPPNZ-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC(C)(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001446470095 1184361891 /nfs/dbraw/zinc/36/18/91/1184361891.db2.gz OPSFKZXDKPOQEZ-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO C[NH+](C)CCC(=O)N[C@]1(C)CCN(Cc2ccc(CF)cc2)C1 ZINC001446565389 1184418534 /nfs/dbraw/zinc/41/85/34/1184418534.db2.gz SCGXXPONNWWOOJ-GOSISDBHSA-N 1 3 321.440 2.188 20 0 DEADHO C[C@@H]([NH2+]CCC1CC1)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001446937222 1184583627 /nfs/dbraw/zinc/58/36/27/1184583627.db2.gz GQLWNYUBQNJYLP-ZBFHGGJFSA-N 1 3 307.482 2.097 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]CCC2CC2)CCC1 ZINC001447193201 1184669042 /nfs/dbraw/zinc/66/90/42/1184669042.db2.gz BVTUJHMTIOGKPK-INIZCTEOSA-N 1 3 307.482 2.289 20 0 DEADHO CC[C@H](C(=O)N1CCC(C)([NH2+]CC[C@@H](C)F)CC1)N(C)C ZINC001447548024 1184807237 /nfs/dbraw/zinc/80/72/37/1184807237.db2.gz XFNYNMGVVMIGMG-ZIAGYGMSSA-N 1 3 301.450 2.045 20 0 DEADHO CC[C@H](C(=O)N(C)C1CC([NH2+]CCc2cccs2)C1)N(C)C ZINC001449402004 1185702582 /nfs/dbraw/zinc/70/25/82/1185702582.db2.gz LUJWSWJFBLVXMS-ZBCRRDGASA-N 1 3 323.506 2.210 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001405608055 1164161006 /nfs/dbraw/zinc/16/10/06/1164161006.db2.gz SRKCBFKXAGSVKO-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO [NH3+]C1([C@@H]2CN(c3ncccc3CN3CCCC3)C[C@@H]2CF)CC1 ZINC001164623764 719125204 /nfs/dbraw/zinc/12/52/04/719125204.db2.gz RVKSCYDYXHZSBL-JKSUJKDBSA-N 1 3 318.440 2.191 20 0 DEADHO C[C@H]1CN(c2cccc(OCC[NH+]3CCCC3)n2)[C@@H](C)CN1C ZINC001164637129 719226681 /nfs/dbraw/zinc/22/66/81/719226681.db2.gz LCDXRGFWRFXQTB-HOTGVXAUSA-N 1 3 318.465 2.085 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C)cc1C)N(C)C ZINC001406541408 1164667129 /nfs/dbraw/zinc/66/71/29/1164667129.db2.gz DDDIWPDGQQTQGQ-RDJZCZTQSA-N 1 3 305.466 2.238 20 0 DEADHO CC(C)N1CCN(CC[NH2+][C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001170956474 790317392 /nfs/dbraw/zinc/31/73/92/790317392.db2.gz WTKBHCHSUGPQBD-QGZVFWFLSA-N 1 3 319.468 2.299 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]C/C=C\Cl)[C@H](C)C1)N(C)C ZINC001106633773 782819625 /nfs/dbraw/zinc/81/96/25/782819625.db2.gz UTAUBTJPLBZSOC-XQIWKARSSA-N 1 3 315.889 2.009 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC)CC(C)(C)C1 ZINC001089401364 783069978 /nfs/dbraw/zinc/06/99/78/783069978.db2.gz SGPVJJQRHRBRHJ-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC)CC(C)(C)C1 ZINC001089401364 783069984 /nfs/dbraw/zinc/06/99/84/783069984.db2.gz SGPVJJQRHRBRHJ-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[N@@H+]1CCCF ZINC000947617007 783190303 /nfs/dbraw/zinc/19/03/03/783190303.db2.gz UXWYOKFWNVHRLT-CABCVRRESA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[N@H+]1CCCF ZINC000947617007 783190312 /nfs/dbraw/zinc/19/03/12/783190312.db2.gz UXWYOKFWNVHRLT-CABCVRRESA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CC[N@H+](CCC(C)(C)C)C3)C1 ZINC001072982896 790353667 /nfs/dbraw/zinc/35/36/67/790353667.db2.gz DUEBOKOOJPLWCU-MRXNPFEDSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CC[N@@H+](CCC(C)(C)C)C3)C1 ZINC001072982896 790353679 /nfs/dbraw/zinc/35/36/79/790353679.db2.gz DUEBOKOOJPLWCU-MRXNPFEDSA-N 1 3 321.509 2.299 20 0 DEADHO C[N@@H+]1CCC[C@@H](CN2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)C1 ZINC001208606069 776598196 /nfs/dbraw/zinc/59/81/96/776598196.db2.gz DQWZFFHWTWAFPX-BZUAXINKSA-N 1 3 323.481 2.269 20 0 DEADHO C[N@H+]1CCC[C@@H](CN2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)C1 ZINC001208606069 776598201 /nfs/dbraw/zinc/59/82/01/776598201.db2.gz DQWZFFHWTWAFPX-BZUAXINKSA-N 1 3 323.481 2.269 20 0 DEADHO Cc1cccc(N2CCCN(C[C@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC001208614998 776602001 /nfs/dbraw/zinc/60/20/01/776602001.db2.gz GTDOOMROIREAAR-KRWDZBQOSA-N 1 3 302.466 2.244 20 0 DEADHO Cc1cccc(N2CCCN(C[C@H]3CCC[N@H+](C)C3)CC2)n1 ZINC001208614998 776602009 /nfs/dbraw/zinc/60/20/09/776602009.db2.gz GTDOOMROIREAAR-KRWDZBQOSA-N 1 3 302.466 2.244 20 0 DEADHO CC[C@H](F)C[NH2+]CC1(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001167225204 776782272 /nfs/dbraw/zinc/78/22/72/776782272.db2.gz QNDCJDYQLIKUPY-CABCVRRESA-N 1 3 313.461 2.095 20 0 DEADHO CCC[NH2+]CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001104683902 778020882 /nfs/dbraw/zinc/02/08/82/778020882.db2.gz SVDIALWVGNIOEB-HZPDHXFCSA-N 1 3 311.514 2.449 20 0 DEADHO CC1CC(C[NH2+]CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)C1 ZINC001104732620 778051591 /nfs/dbraw/zinc/05/15/91/778051591.db2.gz YRQNGTUHONRUSE-GYTBAZASSA-N 1 3 318.465 2.073 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001073461257 790669241 /nfs/dbraw/zinc/66/92/41/790669241.db2.gz BDQLNVRPZFZWKT-IAGOWNOFSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001073461257 790669246 /nfs/dbraw/zinc/66/92/46/790669246.db2.gz BDQLNVRPZFZWKT-IAGOWNOFSA-N 1 3 321.509 2.441 20 0 DEADHO CC(=O)N1CCC([N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167995744 779218976 /nfs/dbraw/zinc/21/89/76/779218976.db2.gz PLVFRSSSOSKZPV-DFNIBXOVSA-N 1 3 319.493 2.335 20 0 DEADHO CC(=O)N1CCC([N@H+](C)C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167995744 779218981 /nfs/dbraw/zinc/21/89/81/779218981.db2.gz PLVFRSSSOSKZPV-DFNIBXOVSA-N 1 3 319.493 2.335 20 0 DEADHO C=CC(=O)NCCN[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168021479 779424105 /nfs/dbraw/zinc/42/41/05/779424105.db2.gz OZWQXJOVAIGVRX-ALXJQNPVSA-N 1 3 315.461 2.320 20 0 DEADHO C=CC(=O)NCCN[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168021479 779424109 /nfs/dbraw/zinc/42/41/09/779424109.db2.gz OZWQXJOVAIGVRX-ALXJQNPVSA-N 1 3 315.461 2.320 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC001087966856 779577941 /nfs/dbraw/zinc/57/79/41/779577941.db2.gz YRZHLCAVXJOYLE-SJORKVTESA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC001087966856 779577945 /nfs/dbraw/zinc/57/79/45/779577945.db2.gz YRZHLCAVXJOYLE-SJORKVTESA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@@H]2C1 ZINC001088105892 779705491 /nfs/dbraw/zinc/70/54/91/779705491.db2.gz GQDUHBRUWAHHKB-KURKYZTESA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@@H]2C1 ZINC001088105892 779705494 /nfs/dbraw/zinc/70/54/94/779705494.db2.gz GQDUHBRUWAHHKB-KURKYZTESA-N 1 3 321.509 2.297 20 0 DEADHO CC1(C)CCN(CC(=O)N2CCCCC[C@@H]([NH2+]CC3CC3)C2)C1 ZINC001088381200 780047378 /nfs/dbraw/zinc/04/73/78/780047378.db2.gz ZFFVGMMRVNMINU-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCCCC[C@H]([NH2+]CC3CC3)C2)C1 ZINC001088381735 780050681 /nfs/dbraw/zinc/05/06/81/780050681.db2.gz LIVCRRKPTLARNS-RDJZCZTQSA-N 1 3 307.482 2.099 20 0 DEADHO CC[NH2+]CC1([C@H]2CCCCN2C(=O)CN(C)C(C)C)CCC1 ZINC001105579832 780776183 /nfs/dbraw/zinc/77/61/83/780776183.db2.gz WTXRBNRYYYSIMU-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NCC1CC([NH2+]CCCF)C1 ZINC001101027678 780925327 /nfs/dbraw/zinc/92/53/27/780925327.db2.gz NATGJBBZLJAKGK-UHFFFAOYSA-N 1 3 321.440 2.206 20 0 DEADHO O=C(NCC[NH2+]C1CCN(CC2CC2)CC1)C1CCCCC1 ZINC001168359630 780947481 /nfs/dbraw/zinc/94/74/81/780947481.db2.gz CYULNQGSPWDDEG-UHFFFAOYSA-N 1 3 307.482 2.147 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCC1CC([NH2+]CCC2CC2)C1 ZINC001091027181 790838416 /nfs/dbraw/zinc/83/84/16/790838416.db2.gz ZOYRVSLCHLHZTQ-JCYILVPMSA-N 1 3 307.482 2.144 20 0 DEADHO C[C@@H]1CN(C/C=C\Cl)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102520334 781048917 /nfs/dbraw/zinc/04/89/17/781048917.db2.gz GKKLPPQYXXVDFP-JHSOUAKNSA-N 1 3 315.889 2.155 20 0 DEADHO C[C@H](C(=O)N1CC[C@H]2C[N@H+](CC3CC3)C[C@H]21)N1CCCCCC1 ZINC001076324475 781218078 /nfs/dbraw/zinc/21/80/78/781218078.db2.gz UTQLVXLWUYIHHW-BPQIPLTHSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CC3)C[C@H]21)N1CCCCCC1 ZINC001076324475 781218085 /nfs/dbraw/zinc/21/80/85/781218085.db2.gz UTQLVXLWUYIHHW-BPQIPLTHSA-N 1 3 319.493 2.194 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC2CCC2)C1 ZINC001091058014 790873401 /nfs/dbraw/zinc/87/34/01/790873401.db2.gz IOVBJUZOSWQTMK-OFLPRAFFSA-N 1 3 307.482 2.145 20 0 DEADHO c1cc(O[C@@H]2CC[N@@H+](C3CCN(CC4CC4)CC3)C2)ccn1 ZINC001168387823 781775486 /nfs/dbraw/zinc/77/54/86/781775486.db2.gz VNZGEZUGUZAUFK-GOSISDBHSA-N 1 3 301.434 2.409 20 0 DEADHO c1cc(O[C@@H]2CC[N@H+](C3CCN(CC4CC4)CC3)C2)ccn1 ZINC001168387823 781775492 /nfs/dbraw/zinc/77/54/92/781775492.db2.gz VNZGEZUGUZAUFK-GOSISDBHSA-N 1 3 301.434 2.409 20 0 DEADHO CCN1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089664188 783337816 /nfs/dbraw/zinc/33/78/16/783337816.db2.gz DVFOFMQMZIBSPE-OAHLLOKOSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCN1C(C)C ZINC001085589787 783867713 /nfs/dbraw/zinc/86/77/13/783867713.db2.gz VCFVJMPCBWWWBO-SJORKVTESA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCN1C(C)C ZINC001085589787 783867720 /nfs/dbraw/zinc/86/77/20/783867720.db2.gz VCFVJMPCBWWWBO-SJORKVTESA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001085856353 784150982 /nfs/dbraw/zinc/15/09/82/784150982.db2.gz XAIHFUQGAWBUDA-SJORKVTESA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001085856353 784150988 /nfs/dbraw/zinc/15/09/88/784150988.db2.gz XAIHFUQGAWBUDA-SJORKVTESA-N 1 3 309.498 2.438 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC000967923661 784178266 /nfs/dbraw/zinc/17/82/66/784178266.db2.gz AOSRDXIHPVACPN-IAGOWNOFSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@@H]2C[N@H+](C)CC2CCC2)C1 ZINC001074064871 791034507 /nfs/dbraw/zinc/03/45/07/791034507.db2.gz SCEBQBVCGHFKCW-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@@H]2C[N@@H+](C)CC2CCC2)C1 ZINC001074064871 791034513 /nfs/dbraw/zinc/03/45/13/791034513.db2.gz SCEBQBVCGHFKCW-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccccc2)C1)N(C)C ZINC000969077604 784716463 /nfs/dbraw/zinc/71/64/63/784716463.db2.gz YGYPCARPTDJUDW-USXIJHARSA-N 1 3 303.450 2.278 20 0 DEADHO CCCN1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001007498671 784937769 /nfs/dbraw/zinc/93/77/69/784937769.db2.gz LMDHPSKYEZZESK-WBVHZDCISA-N 1 3 307.482 2.384 20 0 DEADHO CCCN1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001007498671 784937772 /nfs/dbraw/zinc/93/77/72/784937772.db2.gz LMDHPSKYEZZESK-WBVHZDCISA-N 1 3 307.482 2.384 20 0 DEADHO C[C@H]1C[C@@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168851748 784939330 /nfs/dbraw/zinc/93/93/30/784939330.db2.gz AHQJGTLJGAJCQJ-XUWVNRHRSA-N 1 3 323.481 2.268 20 0 DEADHO C[C@H]1C[C@@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168851748 784939337 /nfs/dbraw/zinc/93/93/37/784939337.db2.gz AHQJGTLJGAJCQJ-XUWVNRHRSA-N 1 3 323.481 2.268 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001007741584 784987726 /nfs/dbraw/zinc/98/77/26/784987726.db2.gz BZZSMNDOWYEVPU-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001007741584 784987731 /nfs/dbraw/zinc/98/77/31/784987731.db2.gz BZZSMNDOWYEVPU-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(OC3COC3)cc1)C2 ZINC001169099741 785033895 /nfs/dbraw/zinc/03/38/95/785033895.db2.gz UQMSKZYERDIKOZ-PHZGNYQRSA-N 1 3 302.418 2.179 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCC[C@](O)(C(F)(F)F)C1)C2 ZINC001169125659 785046617 /nfs/dbraw/zinc/04/66/17/785046617.db2.gz KVRYCUWMPCSMMM-XJFOESAGSA-N 1 3 306.372 2.391 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCC[C@](O)(C(F)(F)F)C1)C2 ZINC001169125659 785046627 /nfs/dbraw/zinc/04/66/27/785046627.db2.gz KVRYCUWMPCSMMM-XJFOESAGSA-N 1 3 306.372 2.391 20 0 DEADHO CCN1C(=O)CCC12CCN([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169131346 785049659 /nfs/dbraw/zinc/04/96/59/785049659.db2.gz SHRWRPQQYHBEAH-ZSHCYNCHSA-N 1 3 305.466 2.089 20 0 DEADHO CCN1C(=O)CCC12CCN([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169131346 785049662 /nfs/dbraw/zinc/04/96/62/785049662.db2.gz SHRWRPQQYHBEAH-ZSHCYNCHSA-N 1 3 305.466 2.089 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(C3OCCO3)cc1)C2 ZINC001169108898 785056753 /nfs/dbraw/zinc/05/67/53/785056753.db2.gz FEHPEDWXWADQKN-BJWYYQGGSA-N 1 3 302.418 2.447 20 0 DEADHO CCc1nnc(C2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)N4C)CC2)o1 ZINC001169145674 785063636 /nfs/dbraw/zinc/06/36/36/785063636.db2.gz NEYBQCIVXPAUGD-FICVDOATSA-N 1 3 304.438 2.437 20 0 DEADHO CCCN1C[C@@H]2C[NH+]([C@H]3CCCN(C(=O)OCC)CC3)C[C@H]2C1 ZINC001169702326 785314043 /nfs/dbraw/zinc/31/40/43/785314043.db2.gz BPEAQZJDGCKPHY-ZACQAIPSSA-N 1 3 323.481 2.271 20 0 DEADHO Cc1cccc(CN2CCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001009506725 785468003 /nfs/dbraw/zinc/46/80/03/785468003.db2.gz FKSRJOBWBXNWHE-MSOLQXFVSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1cccc(CN2CCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001009506725 785468008 /nfs/dbraw/zinc/46/80/08/785468008.db2.gz FKSRJOBWBXNWHE-MSOLQXFVSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1cccc(CCC[NH2+]CCNC(=O)C2(N(C)C)CCC2)c1 ZINC001129358477 785497838 /nfs/dbraw/zinc/49/78/38/785497838.db2.gz SDFDKXNRBBBBAB-UHFFFAOYSA-N 1 3 317.477 2.118 20 0 DEADHO CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001109860308 786088156 /nfs/dbraw/zinc/08/81/56/786088156.db2.gz WTLJIAOPEPPSBQ-QZWWFDLISA-N 1 3 309.498 2.484 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(C)C)C1 ZINC001112567672 786160428 /nfs/dbraw/zinc/16/04/28/786160428.db2.gz BRGDBVDPMBAJKX-WMZOPIPTSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1)N1CCCC1 ZINC001015506865 787085883 /nfs/dbraw/zinc/08/58/83/787085883.db2.gz ZKEDAPCZJHVTBU-MRXNPFEDSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1)N1CCCC1 ZINC001015506865 787085895 /nfs/dbraw/zinc/08/58/95/787085895.db2.gz ZKEDAPCZJHVTBU-MRXNPFEDSA-N 1 3 321.509 2.488 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCN(CC=C(C)C)C2)C1 ZINC001015596787 787128024 /nfs/dbraw/zinc/12/80/24/787128024.db2.gz HFONQIMANIJVPR-IAGOWNOFSA-N 1 3 307.482 2.265 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCN(CC=C(C)C)C2)C1 ZINC001015596787 787128027 /nfs/dbraw/zinc/12/80/27/787128027.db2.gz HFONQIMANIJVPR-IAGOWNOFSA-N 1 3 307.482 2.265 20 0 DEADHO CCCC[N@@H+]1CC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001015696037 787188245 /nfs/dbraw/zinc/18/82/45/787188245.db2.gz TYTOANKVPOKXOZ-PBHICJAKSA-N 1 3 313.461 2.190 20 0 DEADHO CCCC[N@H+]1CC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001015696037 787188259 /nfs/dbraw/zinc/18/82/59/787188259.db2.gz TYTOANKVPOKXOZ-PBHICJAKSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCNCc1cccc(F)c1 ZINC001129418153 787208544 /nfs/dbraw/zinc/20/85/44/787208544.db2.gz RGDCBGUIEJMRQV-QGZVFWFLSA-N 1 3 321.440 2.294 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCNCc1cccc(F)c1 ZINC001129418153 787208547 /nfs/dbraw/zinc/20/85/47/787208547.db2.gz RGDCBGUIEJMRQV-QGZVFWFLSA-N 1 3 321.440 2.294 20 0 DEADHO CN(C)[C@H](C(=O)NCC[NH2+]Cc1ccccc1C1CC1)C1CC1 ZINC001129443467 787215602 /nfs/dbraw/zinc/21/56/02/787215602.db2.gz KINZLAYJDNNALZ-SFHVURJKSA-N 1 3 315.461 2.110 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CC[C@H]1CCCC1(F)F ZINC001130427955 787388942 /nfs/dbraw/zinc/38/89/42/787388942.db2.gz WLQDXSCFAQLASO-CYBMUJFWSA-N 1 3 319.440 2.248 20 0 DEADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001095965341 787427784 /nfs/dbraw/zinc/42/77/84/787427784.db2.gz QQMSYSYKFMFHHK-IKGGRYGDSA-N 1 3 305.466 2.016 20 0 DEADHO CCOC(=O)C1=C(Nc2ccc([C@@H]3CCC[NH2+]3)cc2)CCNC1 ZINC001170516390 787480422 /nfs/dbraw/zinc/48/04/22/787480422.db2.gz AEUNLILUXPSPOO-INIZCTEOSA-N 1 3 315.417 2.334 20 0 DEADHO C[C@H](Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cn1)[C@H]1CNCCO1 ZINC001170575744 787669985 /nfs/dbraw/zinc/66/99/85/787669985.db2.gz ZFZKCAWDQUULJC-HLLBOEOZSA-N 1 3 318.465 2.245 20 0 DEADHO C[C@H](Nc1ccc(C[N@H+]2CCCC[C@H]2C)cn1)[C@H]1CNCCO1 ZINC001170575744 787669989 /nfs/dbraw/zinc/66/99/89/787669989.db2.gz ZFZKCAWDQUULJC-HLLBOEOZSA-N 1 3 318.465 2.245 20 0 DEADHO C[C@@H](Nc1ccc(F)c(CN2CCCC2)c1)[C@@H]1C[NH2+]CCO1 ZINC001170576470 787677970 /nfs/dbraw/zinc/67/79/70/787677970.db2.gz VLFBQZFDUOPAID-DYVFJYSZSA-N 1 3 307.413 2.210 20 0 DEADHO C[C@@H](Nc1ccc(F)c(C[NH+]2CCCC2)c1)[C@@H]1CNCCO1 ZINC001170576470 787677973 /nfs/dbraw/zinc/67/79/73/787677973.db2.gz VLFBQZFDUOPAID-DYVFJYSZSA-N 1 3 307.413 2.210 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2CCC2)C1 ZINC001132153063 787946495 /nfs/dbraw/zinc/94/64/95/787946495.db2.gz MYYWTQQJVPKIQF-ZBFHGGJFSA-N 1 3 309.498 2.486 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC2CCC2)C1 ZINC001132153063 787946499 /nfs/dbraw/zinc/94/64/99/787946499.db2.gz MYYWTQQJVPKIQF-ZBFHGGJFSA-N 1 3 309.498 2.486 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCNCc2cccc(F)c2)C1 ZINC001132738061 788179160 /nfs/dbraw/zinc/17/91/60/788179160.db2.gz UYMMQLGBVHUMQM-INIZCTEOSA-N 1 3 321.440 2.154 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)NCCNCc2cccc(F)c2)C1 ZINC001132738061 788179164 /nfs/dbraw/zinc/17/91/64/788179164.db2.gz UYMMQLGBVHUMQM-INIZCTEOSA-N 1 3 321.440 2.154 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1C ZINC001132889015 788219410 /nfs/dbraw/zinc/21/94/10/788219410.db2.gz URDRMZYLSBAVLS-CVEARBPZSA-N 1 3 309.498 2.201 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001133274589 788346743 /nfs/dbraw/zinc/34/67/43/788346743.db2.gz KMTCCDZPLJJMCH-RUCLMCIISA-N 1 3 315.889 2.155 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCC2CC2)C1 ZINC001133346328 788375218 /nfs/dbraw/zinc/37/52/18/788375218.db2.gz LHXNKZDYSWPGRM-RDJZCZTQSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@H](C(=O)NCC[NH2+]C[C@H]1CCCC(F)(F)C1)N(C)C ZINC001133418731 788408134 /nfs/dbraw/zinc/40/81/34/788408134.db2.gz FIEYTOUEGPRMLW-UONOGXRCSA-N 1 3 319.440 2.104 20 0 DEADHO C[C@H](C[C@H](C)[NH2+]Cc1cncs1)NC(=O)CN(C)C1CCC1 ZINC001134613056 788998264 /nfs/dbraw/zinc/99/82/64/788998264.db2.gz RRTMPSOSFBUTNW-QWHCGFSZSA-N 1 3 324.494 2.000 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+]CC1CC(C)(C)C1 ZINC001134766433 789070144 /nfs/dbraw/zinc/07/01/44/789070144.db2.gz IGPJDEVCUUDOMT-MRXNPFEDSA-N 1 3 309.498 2.391 20 0 DEADHO CCCCCCN(C)CC(=O)NCC[NH2+]Cc1ccccc1 ZINC001135436901 789341039 /nfs/dbraw/zinc/34/10/39/789341039.db2.gz FIDAQDWFJPPABR-UHFFFAOYSA-N 1 3 305.466 2.405 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001135511225 789380447 /nfs/dbraw/zinc/38/04/47/789380447.db2.gz MSYUXPOKDIQSBC-OAHLLOKOSA-N 1 3 317.477 2.284 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001135513468 789381734 /nfs/dbraw/zinc/38/17/34/789381734.db2.gz PESCHHMDHZCXKW-INIZCTEOSA-N 1 3 305.466 2.412 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccsc1 ZINC001136030757 789601370 /nfs/dbraw/zinc/60/13/70/789601370.db2.gz BOLGJCUWSIXPFN-NWDGAFQWSA-N 1 3 320.462 2.395 20 0 DEADHO CCOC(=O)c1cc2c(ccc(N[C@H](N)CCC[NH3+])c2C)o1 ZINC001170906876 789648453 /nfs/dbraw/zinc/64/84/53/789648453.db2.gz YKPXIEGAMQCSMC-HNNXBMFYSA-N 1 3 305.378 2.354 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2)[C@@H]1C ZINC001074877445 791363010 /nfs/dbraw/zinc/36/30/10/791363010.db2.gz BZANDILTAJCOQL-BQFCYCMXSA-N 1 3 315.461 2.250 20 0 DEADHO CCCCC[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001147725457 791607933 /nfs/dbraw/zinc/60/79/33/791607933.db2.gz XJZNAFREXJZJDN-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CCCCC[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001147725457 791607938 /nfs/dbraw/zinc/60/79/38/791607938.db2.gz XJZNAFREXJZJDN-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO Cc1cc(CNCCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)cs1 ZINC001147834442 791634732 /nfs/dbraw/zinc/63/47/32/791634732.db2.gz JDPPOONBNQOAMX-JKSUJKDBSA-N 1 3 323.506 2.383 20 0 DEADHO CC(C)C[C@H](C)C[N@@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001148352031 791735229 /nfs/dbraw/zinc/73/52/29/791735229.db2.gz YFGMDUWKDNJHCH-HNNXBMFYSA-N 1 3 318.465 2.169 20 0 DEADHO CC(C)C[C@H](C)C[N@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001148352031 791735233 /nfs/dbraw/zinc/73/52/33/791735233.db2.gz YFGMDUWKDNJHCH-HNNXBMFYSA-N 1 3 318.465 2.169 20 0 DEADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+](CCC(C)(C)C)C2 ZINC001148469422 791751588 /nfs/dbraw/zinc/75/15/88/791751588.db2.gz JQDMPQUDPARRFD-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+](CCC(C)(C)C)C2 ZINC001148469422 791751591 /nfs/dbraw/zinc/75/15/91/791751591.db2.gz JQDMPQUDPARRFD-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+][C@H](CC)c1ccc(F)cc1 ZINC001148642818 791780324 /nfs/dbraw/zinc/78/03/24/791780324.db2.gz OFCYGPOFNWLQLA-MRXNPFEDSA-N 1 3 309.429 2.324 20 0 DEADHO CC(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCCN3C)C2)CC1 ZINC001086907758 791845303 /nfs/dbraw/zinc/84/53/03/791845303.db2.gz ATNIEDLVRUIONF-SJORKVTESA-N 1 3 321.509 2.440 20 0 DEADHO CC[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001086941593 791856870 /nfs/dbraw/zinc/85/68/70/791856870.db2.gz YIKBADQTHNLMIF-INIZCTEOSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001086942597 791857960 /nfs/dbraw/zinc/85/79/60/791857960.db2.gz WGRZISVRSUBGMF-SJORKVTESA-N 1 3 321.509 2.441 20 0 DEADHO [NH3+]CCCCN1CCN([C@@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171361651 791871181 /nfs/dbraw/zinc/87/11/81/791871181.db2.gz ZKSMHPVEOYEGRD-MRXNPFEDSA-N 1 3 323.431 2.179 20 0 DEADHO CC(C)=CC[N@H+]1C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092013283 791923006 /nfs/dbraw/zinc/92/30/06/791923006.db2.gz MBBYNLOLHAECSG-SCTDSRPQSA-N 1 3 319.493 2.075 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092013283 791923008 /nfs/dbraw/zinc/92/30/08/791923008.db2.gz MBBYNLOLHAECSG-SCTDSRPQSA-N 1 3 319.493 2.075 20 0 DEADHO CCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCN2CCC)[C@H](C)C1 ZINC001092658215 792104083 /nfs/dbraw/zinc/10/40/83/792104083.db2.gz LQLSLWQTCNCDEX-ZACQAIPSSA-N 1 3 309.498 2.345 20 0 DEADHO CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCN2CCC)[C@H](C)C1 ZINC001092658215 792104086 /nfs/dbraw/zinc/10/40/86/792104086.db2.gz LQLSLWQTCNCDEX-ZACQAIPSSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C ZINC001092658396 792104351 /nfs/dbraw/zinc/10/43/51/792104351.db2.gz SNZLJRHCNDYCTJ-KBAYOESNSA-N 1 3 321.509 2.345 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C ZINC001092658396 792104358 /nfs/dbraw/zinc/10/43/58/792104358.db2.gz SNZLJRHCNDYCTJ-KBAYOESNSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC2CC2)C[C@H]1C ZINC001093025087 792204458 /nfs/dbraw/zinc/20/44/58/792204458.db2.gz QHZXGCOZXGRIJY-NXHRZFHOSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CC2)C[C@H]1C ZINC001093025087 792204468 /nfs/dbraw/zinc/20/44/68/792204468.db2.gz QHZXGCOZXGRIJY-NXHRZFHOSA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@H](C(=O)NCC1CC([NH2+]CCC2CCCC2)C1)N(C)C ZINC001100443680 792656750 /nfs/dbraw/zinc/65/67/50/792656750.db2.gz VCCNEXJKOONXEY-OFLPRAFFSA-N 1 3 309.498 2.391 20 0 DEADHO C[NH+](C)CCC(=O)NCC1CC(NCc2ccccc2Cl)C1 ZINC001100637157 792761145 /nfs/dbraw/zinc/76/11/45/792761145.db2.gz FAPNPUJCPMXJQQ-UHFFFAOYSA-N 1 3 323.868 2.276 20 0 DEADHO CC/C=C/CC[NH2+]C1CC(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001100918316 792918312 /nfs/dbraw/zinc/91/83/12/792918312.db2.gz OMPPUTHZSKALDM-SNAWJCMRSA-N 1 3 304.438 2.101 20 0 DEADHO CCOCC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)N(C)CC ZINC001171595642 793143767 /nfs/dbraw/zinc/14/37/67/793143767.db2.gz FRVJRDICHPULKR-OAHLLOKOSA-N 1 3 315.502 2.018 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@@H]2CN(C(=O)CN(CC)CC)C[C@]2(C)C1 ZINC001101400466 793144324 /nfs/dbraw/zinc/14/43/24/793144324.db2.gz XOCCASSGOVLSBJ-DLBUCANVSA-N 1 3 321.509 2.465 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@@H]2CN(C(=O)CN(CC)CC)C[C@]2(C)C1 ZINC001101400466 793144330 /nfs/dbraw/zinc/14/43/30/793144330.db2.gz XOCCASSGOVLSBJ-DLBUCANVSA-N 1 3 321.509 2.465 20 0 DEADHO CCNC(=O)N1CCC([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171619827 793151159 /nfs/dbraw/zinc/15/11/59/793151159.db2.gz RQEWOGWYSXFFKP-UHFFFAOYSA-N 1 3 324.513 2.421 20 0 DEADHO C[C@@H](CN)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171877277 793225566 /nfs/dbraw/zinc/22/55/66/793225566.db2.gz LNSHVBVXUQVDDH-DOTOQJQBSA-N 1 3 303.450 2.208 20 0 DEADHO C[C@@H](CN)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171877277 793225576 /nfs/dbraw/zinc/22/55/76/793225576.db2.gz LNSHVBVXUQVDDH-DOTOQJQBSA-N 1 3 303.450 2.208 20 0 DEADHO CC1(C)C[C@H](NC[C@@H]2CCC(=O)N2)CC[N@@H+]1Cc1ccccc1 ZINC001171970042 793285230 /nfs/dbraw/zinc/28/52/30/793285230.db2.gz XOFCKPLWHGXYNE-SJORKVTESA-N 1 3 315.461 2.298 20 0 DEADHO CC1(C)C[C@H](NC[C@@H]2CCC(=O)N2)CC[N@H+]1Cc1ccccc1 ZINC001171970042 793285235 /nfs/dbraw/zinc/28/52/35/793285235.db2.gz XOFCKPLWHGXYNE-SJORKVTESA-N 1 3 315.461 2.298 20 0 DEADHO CNC(=O)CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172072115 793310180 /nfs/dbraw/zinc/31/01/80/793310180.db2.gz LBFSHGMPHJDGOX-NNZMDNLPSA-N 1 3 315.461 2.298 20 0 DEADHO CNC(=O)CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172072115 793310188 /nfs/dbraw/zinc/31/01/88/793310188.db2.gz LBFSHGMPHJDGOX-NNZMDNLPSA-N 1 3 315.461 2.298 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCNC(=O)C1CCCCC1)C2 ZINC001172110271 793332808 /nfs/dbraw/zinc/33/28/08/793332808.db2.gz LYXLGBXORBCCEW-OSYLJGHBSA-N 1 3 307.482 2.288 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCNC(=O)C1CCCCC1)C2 ZINC001172110271 793332818 /nfs/dbraw/zinc/33/28/18/793332818.db2.gz LYXLGBXORBCCEW-OSYLJGHBSA-N 1 3 307.482 2.288 20 0 DEADHO CC(C)N1CCN(CC[NH2+][C@H]2CSc3ccccc3C2)CC1 ZINC001172185435 793345619 /nfs/dbraw/zinc/34/56/19/793345619.db2.gz BVYFOVWDWLDWTN-QGZVFWFLSA-N 1 3 319.518 2.319 20 0 DEADHO O=C1CC[C@H]2C[C@H]([NH2+]C3CCN(C4CCCC4)CC3)CCN12 ZINC001172166887 793358713 /nfs/dbraw/zinc/35/87/13/793358713.db2.gz VFNDOPBJFKTHAM-WBVHZDCISA-N 1 3 305.466 2.136 20 0 DEADHO CN(C)C(=O)C1CC[NH+](C2CCN(CC3CCC3)CC2)CC1 ZINC000096087191 793374986 /nfs/dbraw/zinc/37/49/86/793374986.db2.gz IKIZWYRKKJUNIM-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)COCC[C@@H](C)N1CCN(CC[NH+]2CCCC2)CC1 ZINC001172476981 793426939 /nfs/dbraw/zinc/42/69/39/793426939.db2.gz UZRMXTNGBXQCHR-GOSISDBHSA-N 1 3 311.514 2.151 20 0 DEADHO COC(=O)[C@H]1CCC[C@H]([NH+]2CCN(c3ccncc3)CC2)CC1 ZINC001172783470 793500505 /nfs/dbraw/zinc/50/05/05/793500505.db2.gz SVDBVVMYLIQWBY-HOTGVXAUSA-N 1 3 317.433 2.326 20 0 DEADHO COC(=O)[C@H]1CCC[C@H](N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001172783470 793500512 /nfs/dbraw/zinc/50/05/12/793500512.db2.gz SVDBVVMYLIQWBY-HOTGVXAUSA-N 1 3 317.433 2.326 20 0 DEADHO C[C@@H](CN)C[N@H+](C)C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C ZINC001172808706 793505964 /nfs/dbraw/zinc/50/59/64/793505964.db2.gz DDBPCXGOUXUYSJ-RDGKXADDSA-N 1 3 309.454 2.220 20 0 DEADHO C[C@@H](CN)C[N@@H+](C)C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C ZINC001172808706 793505970 /nfs/dbraw/zinc/50/59/70/793505970.db2.gz DDBPCXGOUXUYSJ-RDGKXADDSA-N 1 3 309.454 2.220 20 0 DEADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1C ZINC001102475291 793625439 /nfs/dbraw/zinc/62/54/39/793625439.db2.gz HRKYLGYXPNLDPI-NVXWUHKLSA-N 1 3 323.525 2.449 20 0 DEADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1C ZINC001102475291 793625446 /nfs/dbraw/zinc/62/54/46/793625446.db2.gz HRKYLGYXPNLDPI-NVXWUHKLSA-N 1 3 323.525 2.449 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1C ZINC001102525378 793641096 /nfs/dbraw/zinc/64/10/96/793641096.db2.gz ZOULNPSAISVSOM-GDBMZVCRSA-N 1 3 323.506 2.274 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1C ZINC001102525378 793641105 /nfs/dbraw/zinc/64/11/05/793641105.db2.gz ZOULNPSAISVSOM-GDBMZVCRSA-N 1 3 323.506 2.274 20 0 DEADHO CCOC(=O)C[C@@H]1CC[C@@H](N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001173653454 793811810 /nfs/dbraw/zinc/81/18/10/793811810.db2.gz VDRVDGIGRWTZEL-NVXWUHKLSA-N 1 3 317.433 2.326 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001174691998 794041823 /nfs/dbraw/zinc/04/18/23/794041823.db2.gz OLKNJXDDZDDARJ-GFCCVEGCSA-N 1 3 318.396 2.257 20 0 DEADHO C[C@@H]1C[N@H+](CC2CC2)C[C@H]1CCNC(=O)CN(C)CC(C)(C)C ZINC001103438374 794091865 /nfs/dbraw/zinc/09/18/65/794091865.db2.gz DNPSHTWDQKKOFK-NVXWUHKLSA-N 1 3 323.525 2.449 20 0 DEADHO C[C@@H]1C[N@@H+](CC2CC2)C[C@H]1CCNC(=O)CN(C)CC(C)(C)C ZINC001103438374 794091870 /nfs/dbraw/zinc/09/18/70/794091870.db2.gz DNPSHTWDQKKOFK-NVXWUHKLSA-N 1 3 323.525 2.449 20 0 DEADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](CCC(C)C)C[C@H]1C ZINC001103665394 794181554 /nfs/dbraw/zinc/18/15/54/794181554.db2.gz ATVVWINSJIRFIT-IAGOWNOFSA-N 1 3 311.514 2.449 20 0 DEADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001103665394 794181557 /nfs/dbraw/zinc/18/15/57/794181557.db2.gz ATVVWINSJIRFIT-IAGOWNOFSA-N 1 3 311.514 2.449 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]C[C@H](F)CC ZINC001176286409 794390651 /nfs/dbraw/zinc/39/06/51/794390651.db2.gz VJNAWFWVELZCNJ-HUUCEWRRSA-N 1 3 303.466 2.341 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001176986065 794547915 /nfs/dbraw/zinc/54/79/15/794547915.db2.gz CYMYLQHDQJFCMB-KRWDZBQOSA-N 1 3 321.440 2.249 20 0 DEADHO CC[NH2+]CCCN(CC1CCCC1)C(=O)CN1CCC[C@H]1C ZINC001177415990 794666012 /nfs/dbraw/zinc/66/60/12/794666012.db2.gz QOSRINHTNZRYOZ-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCC3=CCCCC3)C[C@H]21 ZINC001115161373 794693396 /nfs/dbraw/zinc/69/33/96/794693396.db2.gz DPNBGVAAMHFISN-DZFIZOCASA-N 1 3 319.493 2.265 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]21 ZINC001115161373 794693404 /nfs/dbraw/zinc/69/34/04/794693404.db2.gz DPNBGVAAMHFISN-DZFIZOCASA-N 1 3 319.493 2.265 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCCCCC[NH2+]CCCF ZINC001178853685 795013047 /nfs/dbraw/zinc/01/30/47/795013047.db2.gz OACPHALVYXAWEU-UHFFFAOYSA-N 1 3 303.466 2.343 20 0 DEADHO CC[NH2+]CCCCCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001179590294 795138879 /nfs/dbraw/zinc/13/88/79/795138879.db2.gz GYTPMHIZBCIWHL-KRWDZBQOSA-N 1 3 315.477 2.485 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CCF)C1 ZINC001120441021 795461366 /nfs/dbraw/zinc/46/13/66/795461366.db2.gz WRWFWQOJLHXIMZ-HZPDHXFCSA-N 1 3 313.461 2.001 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+]2CCF)C1 ZINC001120441021 795461370 /nfs/dbraw/zinc/46/13/70/795461370.db2.gz WRWFWQOJLHXIMZ-HZPDHXFCSA-N 1 3 313.461 2.001 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CC2)C1 ZINC001181440389 795478831 /nfs/dbraw/zinc/47/88/31/795478831.db2.gz FIIURASQDDPWMS-SZVBFZGTSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001181755309 795534056 /nfs/dbraw/zinc/53/40/56/795534056.db2.gz MZMRXMRFUWMGHQ-SZVBFZGTSA-N 1 3 323.525 2.447 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC2CC2)C1)N(C)C ZINC001181801228 795541981 /nfs/dbraw/zinc/54/19/81/795541981.db2.gz RCXDOKLHIANXSM-HHXXYDBFSA-N 1 3 323.525 2.447 20 0 DEADHO CCCC[NH2+]C1CC2(CC(NC(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001121246703 795607761 /nfs/dbraw/zinc/60/77/61/795607761.db2.gz RKWXTTQDHCRTSA-LMBQMVEXSA-N 1 3 307.482 2.144 20 0 DEADHO CC[C@H](C(=O)NC1CC2(C1)CC([NH2+]C/C=C\Cl)C2)N(C)C ZINC001121289508 795612899 /nfs/dbraw/zinc/61/28/99/795612899.db2.gz VUJGWNUWHDLQJV-FFLMYUSUSA-N 1 3 313.873 2.096 20 0 DEADHO CCCC[NH2+]C1CC2(CC(NC(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001121767384 795685134 /nfs/dbraw/zinc/68/51/34/795685134.db2.gz DLAFLNZDEFJTQP-JFPDKAJLSA-N 1 3 307.482 2.288 20 0 DEADHO Cc1cc([C@H](N)CC(=O)NC[C@@H]2CCCCC[NH2+]2)cc(Cl)n1 ZINC001122390393 795754194 /nfs/dbraw/zinc/75/41/94/795754194.db2.gz ASALXILAONUQOB-UONOGXRCSA-N 1 3 324.856 2.082 20 0 DEADHO CC(C)C[C@H](C)C[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001183229135 795828840 /nfs/dbraw/zinc/82/88/40/795828840.db2.gz CFNGPPASARLDFF-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CCCC[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001184565136 796084021 /nfs/dbraw/zinc/08/40/21/796084021.db2.gz FPGZNANCLGKYGD-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001185380100 796245130 /nfs/dbraw/zinc/24/51/30/796245130.db2.gz IVNBIMKXZXKMEF-QZTJIDSGSA-N 1 3 323.525 2.449 20 0 DEADHO C[NH+](C)CCOc1ccc(CN2CCC[C@@]3(CCO3)C2)cc1 ZINC001138773193 796273477 /nfs/dbraw/zinc/27/34/77/796273477.db2.gz VSLMPKRSMMZRGA-GOSISDBHSA-N 1 3 304.434 2.382 20 0 DEADHO C[NH+]1CCC2(CCN(Cc3ccnn3[C@@H]3CCCCO3)C2)CC1 ZINC001138783548 796277200 /nfs/dbraw/zinc/27/72/00/796277200.db2.gz WWWHNWIHMGMRMK-KRWDZBQOSA-N 1 3 318.465 2.500 20 0 DEADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)C12CCC(F)(CC1)CC2 ZINC001185538056 796286910 /nfs/dbraw/zinc/28/69/10/796286910.db2.gz MWTKVJDZXPALQF-UHFFFAOYSA-N 1 3 312.433 2.113 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001185650634 796298950 /nfs/dbraw/zinc/29/89/50/796298950.db2.gz KJBMXCGNZVZLMK-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CCC(CC)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001185675938 796308299 /nfs/dbraw/zinc/30/82/99/796308299.db2.gz CSDUQFYESPTAEJ-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001185924939 796340202 /nfs/dbraw/zinc/34/02/02/796340202.db2.gz HTXLWPXIKBZTCV-IOMDMTNGSA-N 1 3 324.428 2.246 20 0 DEADHO CCN(CCC[NH+](C)C)Cc1ccccc1-c1cnc(N)nc1 ZINC001140326333 796507027 /nfs/dbraw/zinc/50/70/27/796507027.db2.gz MMWQQDFFSQOHQA-UHFFFAOYSA-N 1 3 313.449 2.499 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001188138854 796630704 /nfs/dbraw/zinc/63/07/04/796630704.db2.gz FKTOQSVKUZFZPA-OLZOCXBDSA-N 1 3 321.387 2.004 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC3CCC3)C[C@H]21)N(CC)CC ZINC001189109583 796764557 /nfs/dbraw/zinc/76/45/57/796764557.db2.gz ATIYAGVIVJYVTK-OKZBNKHCSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CCC3)C[C@H]21)N(CC)CC ZINC001189109583 796764559 /nfs/dbraw/zinc/76/45/59/796764559.db2.gz ATIYAGVIVJYVTK-OKZBNKHCSA-N 1 3 321.509 2.440 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001152457756 797190370 /nfs/dbraw/zinc/19/03/70/797190370.db2.gz HRNPUCCZGPFPNR-UONOGXRCSA-N 1 3 317.424 2.002 20 0 DEADHO CN(Cc1ccc(F)cc1)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192007911 797304267 /nfs/dbraw/zinc/30/42/67/797304267.db2.gz SWRXMXJNJSSOLJ-QGZVFWFLSA-N 1 3 321.440 2.200 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)CCCC2CCC2)C1 ZINC001192968971 797484198 /nfs/dbraw/zinc/48/41/98/797484198.db2.gz FRVYZVYJXYBPRD-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001192968971 797484200 /nfs/dbraw/zinc/48/42/00/797484200.db2.gz FRVYZVYJXYBPRD-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2C)C1 ZINC001193630067 797596558 /nfs/dbraw/zinc/59/65/58/797596558.db2.gz BYWMXKVBBYCWOQ-GOSISDBHSA-N 1 3 317.477 2.370 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2C)C1 ZINC001193630067 797596563 /nfs/dbraw/zinc/59/65/63/797596563.db2.gz BYWMXKVBBYCWOQ-GOSISDBHSA-N 1 3 317.477 2.370 20 0 DEADHO C[N@H+](CCCC1CCC1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194041605 797668263 /nfs/dbraw/zinc/66/82/63/797668263.db2.gz XPXGXGYDHQVKKL-QGZVFWFLSA-N 1 3 307.482 2.195 20 0 DEADHO C[N@@H+](CCCC1CCC1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194041605 797668268 /nfs/dbraw/zinc/66/82/68/797668268.db2.gz XPXGXGYDHQVKKL-QGZVFWFLSA-N 1 3 307.482 2.195 20 0 DEADHO CN1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1sccc1Cl ZINC001155790646 797849017 /nfs/dbraw/zinc/84/90/17/797849017.db2.gz LEVWNCIMMPPQDK-GFCCVEGCSA-N 1 3 315.870 2.092 20 0 DEADHO CN(C)C1(CNc2ccc3c(n2)CCCC3)CC[NH+](C)CC1 ZINC001156182381 797940685 /nfs/dbraw/zinc/94/06/85/797940685.db2.gz QXMHLLCVFLJWBH-UHFFFAOYSA-N 1 3 302.466 2.398 20 0 DEADHO CCN(Cc1ccc(F)cc1)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001156882771 798100629 /nfs/dbraw/zinc/10/06/29/798100629.db2.gz MLRLFJNMPNTZEL-GDBMZVCRSA-N 1 3 321.440 2.104 20 0 DEADHO CCN(Cc1ccc(F)cc1)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001156882771 798100633 /nfs/dbraw/zinc/10/06/33/798100633.db2.gz MLRLFJNMPNTZEL-GDBMZVCRSA-N 1 3 321.440 2.104 20 0 DEADHO Cc1ccc(C)c(CN2CCCN(C(=O)CC[NH+](C)C)CC2)c1 ZINC001197029538 798140302 /nfs/dbraw/zinc/14/03/02/798140302.db2.gz VFHGOBHABSWRRU-UHFFFAOYSA-N 1 3 317.477 2.289 20 0 DEADHO CC/C=C\CCN1CCCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001197158089 798156677 /nfs/dbraw/zinc/15/66/77/798156677.db2.gz GICJRLQXIODRQT-JOGGYFKDSA-N 1 3 307.482 2.075 20 0 DEADHO CC/C=C\CCN1CCCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001197158089 798156678 /nfs/dbraw/zinc/15/66/78/798156678.db2.gz GICJRLQXIODRQT-JOGGYFKDSA-N 1 3 307.482 2.075 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C)cc1 ZINC001152445639 798322401 /nfs/dbraw/zinc/32/24/01/798322401.db2.gz LHVFEZUHIDBXFD-KRWDZBQOSA-N 1 3 303.450 2.075 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]C/C=C\Cl)CC1 ZINC001203903068 798324400 /nfs/dbraw/zinc/32/44/00/798324400.db2.gz KPAQIJCAWYCOPO-HMZQOCAUSA-N 1 3 313.873 2.194 20 0 DEADHO [NH3+]Cc1ccc2ncn(-c3cc(Cl)nc4c3CCNC4)c2c1 ZINC001158008456 798326804 /nfs/dbraw/zinc/32/68/04/798326804.db2.gz DZZAJWWNJZDIIL-UHFFFAOYSA-N 1 3 313.792 2.178 20 0 DEADHO CCN[C@@H](CNC(=O)C(C)(C)[N@H+](C)CC)c1ccccc1OC ZINC001198774863 798394359 /nfs/dbraw/zinc/39/43/59/798394359.db2.gz BXSYTOJGIHQVIN-HNNXBMFYSA-N 1 3 321.465 2.192 20 0 DEADHO CCN[C@@H](CNC(=O)C(C)(C)[N@@H+](C)CC)c1ccccc1OC ZINC001198774863 798394364 /nfs/dbraw/zinc/39/43/64/798394364.db2.gz BXSYTOJGIHQVIN-HNNXBMFYSA-N 1 3 321.465 2.192 20 0 DEADHO COc1ccccc1[C@@H](CNC(=O)CCC[NH+](C)C)NC(C)C ZINC001198865171 798409733 /nfs/dbraw/zinc/40/97/33/798409733.db2.gz JEUAPTIMQMKOEC-MRXNPFEDSA-N 1 3 321.465 2.192 20 0 DEADHO CCC[C@H](N)C(=O)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001158564512 798429872 /nfs/dbraw/zinc/42/98/72/798429872.db2.gz ILQBZDJKELXCIC-SQNIBIBYSA-N 1 3 315.461 2.237 20 0 DEADHO CCC[C@H](N)C(=O)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001158564512 798429874 /nfs/dbraw/zinc/42/98/74/798429874.db2.gz ILQBZDJKELXCIC-SQNIBIBYSA-N 1 3 315.461 2.237 20 0 DEADHO CC(C)c1ccc(N(C2CC[NH2+]CC2)C2CCN(C)CC2)nn1 ZINC001158575069 798433312 /nfs/dbraw/zinc/43/33/12/798433312.db2.gz IMLPQKFOEIELOC-UHFFFAOYSA-N 1 3 317.481 2.253 20 0 DEADHO CCN(CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CCC1 ZINC001158616196 798437282 /nfs/dbraw/zinc/43/72/82/798437282.db2.gz HUEBQMWGTHSSRC-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCN(CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCC1 ZINC001158616196 798437287 /nfs/dbraw/zinc/43/72/87/798437287.db2.gz HUEBQMWGTHSSRC-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCN(CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC1CC1 ZINC001158616154 798437659 /nfs/dbraw/zinc/43/76/59/798437659.db2.gz DYKWBAFCMFRBIF-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCN(CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC1CC1 ZINC001158616154 798437661 /nfs/dbraw/zinc/43/76/61/798437661.db2.gz DYKWBAFCMFRBIF-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO N[C@@H](CCC[NH3+])NC(F)(F)c1cnc(Cl)c(C2CC2)c1 ZINC001159788145 798608400 /nfs/dbraw/zinc/60/84/00/798608400.db2.gz IBNLNHBATRGTGI-LLVKDONJSA-N 1 3 304.772 2.275 20 0 DEADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CCCCC(F)(F)F)C1CC1 ZINC001159916803 798625524 /nfs/dbraw/zinc/62/55/24/798625524.db2.gz TVZCJOGSFONITQ-CYBMUJFWSA-N 1 3 323.403 2.155 20 0 DEADHO C[NH2+]CCCC(=O)N(C)[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001160955683 798769757 /nfs/dbraw/zinc/76/97/57/798769757.db2.gz FLHFKUMUEGMIMN-WMZOPIPTSA-N 1 3 317.477 2.355 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]Cc1cccc(OC)c1 ZINC001161250975 798816530 /nfs/dbraw/zinc/81/65/30/798816530.db2.gz GFFOAMNJTSRDRJ-UHFFFAOYSA-N 1 3 321.465 2.021 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]Cc1ccc(CF)cc1 ZINC001161250620 798816680 /nfs/dbraw/zinc/81/66/80/798816680.db2.gz AEKIMZXEBGVKBV-UHFFFAOYSA-N 1 3 323.456 2.482 20 0 DEADHO Cc1cc(C)nc(N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)c1 ZINC001163455258 799347846 /nfs/dbraw/zinc/34/78/46/799347846.db2.gz HVFAPVULYBODJQ-HNNXBMFYSA-N 1 3 304.438 2.230 20 0 DEADHO CN(Cc1ccc(-n2ccnc2[C@@H]2CCC[NH2+]C2)nc1)C1CC1 ZINC001165144792 799662887 /nfs/dbraw/zinc/66/28/87/799662887.db2.gz SNYAIKLKEDTALB-OAHLLOKOSA-N 1 3 311.433 2.329 20 0 DEADHO c1ccc(CN2CC(CNc3ccc4c(n3)C[NH2+]CC4)C2)cc1 ZINC001165427145 799728203 /nfs/dbraw/zinc/72/82/03/799728203.db2.gz KIZNKYBDGPDBHB-UHFFFAOYSA-N 1 3 308.429 2.271 20 0 DEADHO Cc1ccc(CC[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001166004741 799811334 /nfs/dbraw/zinc/81/13/34/799811334.db2.gz VOTFDTBFJOUHDX-GOSISDBHSA-N 1 3 319.493 2.220 20 0 DEADHO Cc1cc(C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C)cs1 ZINC001166009885 799812886 /nfs/dbraw/zinc/81/28/86/799812886.db2.gz AUVQCNCKRZOOLL-OAHLLOKOSA-N 1 3 311.495 2.239 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166667693 799915889 /nfs/dbraw/zinc/91/58/89/799915889.db2.gz HARFOYZMBFXDIG-CQSZACIVSA-N 1 3 321.440 2.072 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CCC2=CCCCC2)C1 ZINC001166677727 799917525 /nfs/dbraw/zinc/91/75/25/799917525.db2.gz MDGOSXOMCAEEPI-INIZCTEOSA-N 1 3 307.482 2.315 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CCCc2ccccc2)C1 ZINC001166678122 799917627 /nfs/dbraw/zinc/91/76/27/799917627.db2.gz SNEGTQFYRNLNGD-QGZVFWFLSA-N 1 3 317.477 2.057 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166676684 799917771 /nfs/dbraw/zinc/91/77/71/799917771.db2.gz BCCIHYQBSHMKFQ-CQSZACIVSA-N 1 3 321.440 2.072 20 0 DEADHO Cc1cccc([C@H](C)[NH2+]CCCNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001166678118 799917839 /nfs/dbraw/zinc/91/78/39/799917839.db2.gz SHNGCTDOOTUBAF-SJORKVTESA-N 1 3 317.477 2.494 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+][C@H](C)c1ccc(F)cc1)N(C)C ZINC001166851901 799965385 /nfs/dbraw/zinc/96/53/85/799965385.db2.gz KGZXPJYCVXIKMW-CJNGLKHVSA-N 1 3 309.429 2.323 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+][C@H](C)c1cccc(F)c1)N(C)C ZINC001166852175 799965630 /nfs/dbraw/zinc/96/56/30/799965630.db2.gz NDUMVIVXUGKHDO-CJNGLKHVSA-N 1 3 309.429 2.323 20 0 DEADHO CCCCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203661451 800102036 /nfs/dbraw/zinc/10/20/36/800102036.db2.gz VHZRJWASLJWUFD-JKSUJKDBSA-N 1 3 318.465 2.468 20 0 DEADHO C[C@@H]1CCN(Cc2ccc(C(F)(F)F)nn2)CC[C@H]1C[NH3+] ZINC001205628274 800390078 /nfs/dbraw/zinc/39/00/78/800390078.db2.gz UJOJKXILDYJZIV-MNOVXSKESA-N 1 3 302.344 2.302 20 0 DEADHO C[C@@H]1CCN(Cc2cnnn2Cc2ccccc2)CC[C@@H]1C[NH3+] ZINC001205638549 800391190 /nfs/dbraw/zinc/39/11/90/800391190.db2.gz PDAJWFDNXKOKNI-NVXWUHKLSA-N 1 3 313.449 2.133 20 0 DEADHO CCn1ccc2c1cccc2C[N@@H+]1CCCC[C@@](O)(CN)C1 ZINC001205673920 800399906 /nfs/dbraw/zinc/39/99/06/800399906.db2.gz VSQQYXBXUVASLR-GOSISDBHSA-N 1 3 301.434 2.337 20 0 DEADHO CCn1ccc2c1cccc2C[N@H+]1CCCC[C@@](O)(CN)C1 ZINC001205673920 800399913 /nfs/dbraw/zinc/39/99/13/800399913.db2.gz VSQQYXBXUVASLR-GOSISDBHSA-N 1 3 301.434 2.337 20 0 DEADHO C[C@H]1CC[C@H](CN)[N@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC001205814763 800424727 /nfs/dbraw/zinc/42/47/27/800424727.db2.gz DGEUNRAAEJTTDK-QFBILLFUSA-N 1 3 317.477 2.078 20 0 DEADHO C[C@H]1CC[C@H](CN)[N@@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC001205814763 800424734 /nfs/dbraw/zinc/42/47/34/800424734.db2.gz DGEUNRAAEJTTDK-QFBILLFUSA-N 1 3 317.477 2.078 20 0 DEADHO C[C@@H]1CN(Cc2cnnn2Cc2ccccc2)CCC[C@@H]1C[NH3+] ZINC001206024314 800460190 /nfs/dbraw/zinc/46/01/90/800460190.db2.gz IKIURTFWLNVWGE-NVXWUHKLSA-N 1 3 313.449 2.133 20 0 DEADHO N[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@@H]1F ZINC001206164558 800482744 /nfs/dbraw/zinc/48/27/44/800482744.db2.gz KJZRVRQGFWEYEC-GJZGRUSLSA-N 1 3 306.360 2.477 20 0 DEADHO N[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@@H]1F ZINC001206164558 800482745 /nfs/dbraw/zinc/48/27/45/800482745.db2.gz KJZRVRQGFWEYEC-GJZGRUSLSA-N 1 3 306.360 2.477 20 0 DEADHO CC(C)(CN1C[C@@H](O)[C@@H](C[NH3+])C1)Sc1ccc(Cl)cc1 ZINC001206458364 800536984 /nfs/dbraw/zinc/53/69/84/800536984.db2.gz YOVYTRQTFOXXNL-SMDDNHRTSA-N 1 3 314.882 2.462 20 0 DEADHO CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(C)C)C(C)C ZINC001111164405 800855826 /nfs/dbraw/zinc/85/58/26/800855826.db2.gz XVVUGDXHVKTPGH-WCXIOVBPSA-N 1 3 309.498 2.483 20 0 DEADHO CN(C)CC1(C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)CCCC1 ZINC001208185227 800925459 /nfs/dbraw/zinc/92/54/59/800925459.db2.gz XQIPLRQVFBDQIJ-AWEZNQCLSA-N 1 3 308.388 2.355 20 0 DEADHO CN(C)CC1(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)CCCC1 ZINC001208185227 800925456 /nfs/dbraw/zinc/92/54/56/800925456.db2.gz XQIPLRQVFBDQIJ-AWEZNQCLSA-N 1 3 308.388 2.355 20 0 DEADHO CC1=C[C@@H](C)[C@H](C[N@H+]2CCC(=O)N(CCN(C)C)CC2)CC1 ZINC001208182831 800925476 /nfs/dbraw/zinc/92/54/76/800925476.db2.gz VMIGBBLKOBEENX-SJORKVTESA-N 1 3 307.482 2.075 20 0 DEADHO CC1=C[C@@H](C)[C@H](C[N@@H+]2CCC(=O)N(CCN(C)C)CC2)CC1 ZINC001208182831 800925479 /nfs/dbraw/zinc/92/54/79/800925479.db2.gz VMIGBBLKOBEENX-SJORKVTESA-N 1 3 307.482 2.075 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1)C1CC1 ZINC001208334157 800958083 /nfs/dbraw/zinc/95/80/83/800958083.db2.gz GLXWJBCDDYIABQ-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C)N(CC)CC ZINC001208574828 801016253 /nfs/dbraw/zinc/01/62/53/801016253.db2.gz GORFQPSWHZHZTB-DJIMGWMZSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C)N(CC)CC ZINC001208574828 801016255 /nfs/dbraw/zinc/01/62/55/801016255.db2.gz GORFQPSWHZHZTB-DJIMGWMZSA-N 1 3 309.498 2.343 20 0 DEADHO COC(=O)CCN(Cc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC001208608264 801030707 /nfs/dbraw/zinc/03/07/07/801030707.db2.gz PQAPJBKSLPOYSP-QGZVFWFLSA-N 1 3 304.434 2.394 20 0 DEADHO COC(=O)CCN(Cc1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208608264 801030714 /nfs/dbraw/zinc/03/07/14/801030714.db2.gz PQAPJBKSLPOYSP-QGZVFWFLSA-N 1 3 304.434 2.394 20 0 DEADHO COC(=O)[C@@H](C)C[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001208723125 801054861 /nfs/dbraw/zinc/05/48/61/801054861.db2.gz LYWWRKGGIZBUCE-INIZCTEOSA-N 1 3 316.445 2.394 20 0 DEADHO CN1CC[C@]2(CC[N@H+](CCOCCOCc3ccccc3)C2)C1 ZINC001208751251 801063366 /nfs/dbraw/zinc/06/33/66/801063366.db2.gz YSOSEPHVRPGNRP-IBGZPJMESA-N 1 3 318.461 2.247 20 0 DEADHO CN1CC[C@]2(CC[N@@H+](CCOCCOCc3ccccc3)C2)C1 ZINC001208751251 801063371 /nfs/dbraw/zinc/06/33/71/801063371.db2.gz YSOSEPHVRPGNRP-IBGZPJMESA-N 1 3 318.461 2.247 20 0 DEADHO CC(C)[C@H](C(=O)NC1CC[NH+](CCCCCF)CC1)N(C)C ZINC001229058951 801216260 /nfs/dbraw/zinc/21/62/60/801216260.db2.gz YINORSWFUWYHEJ-MRXNPFEDSA-N 1 3 315.477 2.293 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]([NH2+]CC2CCC2)C1)CC(C)(C)C ZINC001209689718 801256006 /nfs/dbraw/zinc/25/60/06/801256006.db2.gz NIFLRWDVAZDDJT-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001209836303 801293991 /nfs/dbraw/zinc/29/39/91/801293991.db2.gz JLISNHMJIRBHIL-MBVDDHJVSA-N 1 3 304.438 2.279 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1CC[NH+](CCCC(C)C)CC1 ZINC001230124866 801364409 /nfs/dbraw/zinc/36/44/09/801364409.db2.gz MQJRRUKNLHTOCX-UHFFFAOYSA-N 1 3 306.454 2.277 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001210485927 801410975 /nfs/dbraw/zinc/41/09/75/801410975.db2.gz ODOLYGIJBORSCU-SJLPKXTDSA-N 1 3 317.477 2.355 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001210485927 801410978 /nfs/dbraw/zinc/41/09/78/801410978.db2.gz ODOLYGIJBORSCU-SJLPKXTDSA-N 1 3 317.477 2.355 20 0 DEADHO CCCCCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001214863250 801767989 /nfs/dbraw/zinc/76/79/89/801767989.db2.gz JPNMGPWHMBIOHG-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1ccc(-c2nnc(CNCC3CC[NH2+]CC3)o2)cc1F ZINC001217758011 802112620 /nfs/dbraw/zinc/11/26/20/802112620.db2.gz VLFCQQVMDSZLPP-UHFFFAOYSA-N 1 3 304.369 2.273 20 0 DEADHO N[C@H](C(=O)Nc1ncccc1-c1ccccc1)C1CC[NH2+]CC1 ZINC001218581698 802210089 /nfs/dbraw/zinc/21/00/89/802210089.db2.gz ALGNBFYIDXNXJE-INIZCTEOSA-N 1 3 310.401 2.014 20 0 DEADHO Cc1nc2cc(Cl)c(NC(=O)[C@@H](N)CCCC[NH3+])cc2o1 ZINC001218910828 802258471 /nfs/dbraw/zinc/25/84/71/802258471.db2.gz HLTTZZDKPHFAGI-JTQLQIEISA-N 1 3 310.785 2.184 20 0 DEADHO O=C(Nc1cccc2c1CNC2)[C@@H]1C[C@H](Oc2ccccc2)C[NH2+]1 ZINC001218994188 802272381 /nfs/dbraw/zinc/27/23/81/802272381.db2.gz DJTKGWQRANJOQG-YJBOKZPZSA-N 1 3 323.396 2.038 20 0 DEADHO NC1(C(=O)Nc2ccc([C@@H]3CC[NH2+]C3)cc2)Cc2ccccc2C1 ZINC001218997121 802272831 /nfs/dbraw/zinc/27/28/31/802272831.db2.gz RVOZGJZKHQMBBN-QGZVFWFLSA-N 1 3 321.424 2.198 20 0 DEADHO O=C(C[C@@H]1CCNC[C@H]1F)Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001218997756 802273837 /nfs/dbraw/zinc/27/38/37/802273837.db2.gz WRCTWMGGNXEBTB-OFQRWUPVSA-N 1 3 305.397 2.040 20 0 DEADHO O=C(C[C@@H]1CCNC[C@@H]1F)Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001218997754 802273850 /nfs/dbraw/zinc/27/38/50/802273850.db2.gz WRCTWMGGNXEBTB-DZKIICNBSA-N 1 3 305.397 2.040 20 0 DEADHO [NH3+]CCCCCCCC(=O)Nc1ccc2c(c1)CNCCO2 ZINC001219027996 802275889 /nfs/dbraw/zinc/27/58/89/802275889.db2.gz KMZPHECERBHKDC-UHFFFAOYSA-N 1 3 305.422 2.406 20 0 DEADHO N[C@@H](C(=O)Nc1ccc(F)c2ccccc12)C1CC[NH2+]CC1 ZINC001219260771 802302622 /nfs/dbraw/zinc/30/26/22/802302622.db2.gz VIACIXLFPUPJNM-MRXNPFEDSA-N 1 3 301.365 2.244 20 0 DEADHO CC(C)(C)[C@@H](N)C(=O)Nc1cccc(F)c1OC1CC[NH2+]CC1 ZINC001219301005 802307310 /nfs/dbraw/zinc/30/73/10/802307310.db2.gz DXAJSEKTRCUYQZ-HNNXBMFYSA-N 1 3 323.412 2.268 20 0 DEADHO O=C(NC[C@]1(F)CCC[NH2+]C1)[C@H]1CCC[C@H](c2ccccc2)N1 ZINC001219771039 802374595 /nfs/dbraw/zinc/37/45/95/802374595.db2.gz HJFCQJRMOQBXFY-NUJGCVRESA-N 1 3 319.424 2.078 20 0 DEADHO O=C(NC[C@]1(F)CCC[NH2+]C1)[C@@H]1CCC[C@@H](c2ccccc2)N1 ZINC001219771037 802375163 /nfs/dbraw/zinc/37/51/63/802375163.db2.gz HJFCQJRMOQBXFY-BQFCYCMXSA-N 1 3 319.424 2.078 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)NCc1ccccc1C1CC1 ZINC001220003747 802400460 /nfs/dbraw/zinc/40/04/60/802400460.db2.gz ULXYLLCPMCEBBO-KRWDZBQOSA-N 1 3 303.450 2.239 20 0 DEADHO C[C@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)C12CC3CC(CC(C3)C1)C2 ZINC001219997082 802400647 /nfs/dbraw/zinc/40/06/47/802400647.db2.gz LLCVAFANKGJIGT-GMTINNKDSA-N 1 3 319.493 2.034 20 0 DEADHO CC(C)C[C@@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)c1ccccc1 ZINC001220030978 802403829 /nfs/dbraw/zinc/40/38/29/802403829.db2.gz PKYAGXVLMHEQCL-SJORKVTESA-N 1 3 303.450 2.217 20 0 DEADHO C[C@@H](NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)c1cc(F)cc(F)c1 ZINC001220375077 802449795 /nfs/dbraw/zinc/44/97/95/802449795.db2.gz CSLSDHQJWGLZRH-ABAIWWIYSA-N 1 3 323.387 2.016 20 0 DEADHO C[C@@H](NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)c1cc(F)cc(F)c1 ZINC001220375077 802449803 /nfs/dbraw/zinc/44/98/03/802449803.db2.gz CSLSDHQJWGLZRH-ABAIWWIYSA-N 1 3 323.387 2.016 20 0 DEADHO N[C@@H](CCCC[NH3+])C(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC001220441241 802462051 /nfs/dbraw/zinc/46/20/51/802462051.db2.gz VPDFEDYPIOHSBK-DLBZAZTESA-N 1 3 303.450 2.490 20 0 DEADHO Cc1cc(CN2CCNC3(CC[NH2+]CC3)C2)cc(C)c1Cl ZINC001222104593 802644259 /nfs/dbraw/zinc/64/42/59/802644259.db2.gz INANWNUPOVBWHT-UHFFFAOYSA-N 1 3 307.869 2.484 20 0 DEADHO COc1cccc(CCC[N@@H+]2CCNC[C@]3(CCCCN3)C2)c1 ZINC001222668469 802724940 /nfs/dbraw/zinc/72/49/40/802724940.db2.gz LLKYGCSYSSPAAC-LJQANCHMSA-N 1 3 317.477 2.045 20 0 DEADHO COc1cccc(CCC[N@H+]2CCNC[C@]3(CCCCN3)C2)c1 ZINC001222668469 802724943 /nfs/dbraw/zinc/72/49/43/802724943.db2.gz LLKYGCSYSSPAAC-LJQANCHMSA-N 1 3 317.477 2.045 20 0 DEADHO COc1cccc(CCCN2CC[NH2+]C[C@]3(CCCCN3)C2)c1 ZINC001222668469 802724946 /nfs/dbraw/zinc/72/49/46/802724946.db2.gz LLKYGCSYSSPAAC-LJQANCHMSA-N 1 3 317.477 2.045 20 0 DEADHO CC[C@H](C(=O)NCC1CC[NH+](CCCCCF)CC1)N(C)C ZINC001223597905 802803301 /nfs/dbraw/zinc/80/33/01/802803301.db2.gz QRQRACDHARCVEI-MRXNPFEDSA-N 1 3 315.477 2.295 20 0 DEADHO CN(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/Cl)C1CC1 ZINC001226801447 803162891 /nfs/dbraw/zinc/16/28/91/803162891.db2.gz XIVFHXREYNQGCZ-VIXMMLAKSA-N 1 3 313.873 2.096 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1)N(C)C ZINC001226921164 803176064 /nfs/dbraw/zinc/17/60/64/803176064.db2.gz CSBWAMYDWZKWBT-ZACQAIPSSA-N 1 3 309.498 2.390 20 0 DEADHO CN(C)[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC001227816561 803284291 /nfs/dbraw/zinc/28/42/91/803284291.db2.gz FIUKRKSPNGQALX-SFHVURJKSA-N 1 3 315.461 2.107 20 0 DEADHO CN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H](CNCCF)C1CC1 ZINC001331337941 1149422432 /nfs/dbraw/zinc/42/24/32/1149422432.db2.gz GVQWBYRDVJKBPD-KRWDZBQOSA-N 1 3 321.440 2.158 20 0 DEADHO CC[C@]1(C)CC(=O)N(CN2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)C1 ZINC001335253191 1150390336 /nfs/dbraw/zinc/39/03/36/1150390336.db2.gz LNYZYQKZSJPXRW-UIBIWLFHSA-N 1 3 307.482 2.255 20 0 DEADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]CC=C(Cl)Cl)C1)C1CCC1 ZINC001419409606 1168450134 /nfs/dbraw/zinc/45/01/34/1168450134.db2.gz AZYKQMBRFHCZSK-XYPYZODXSA-N 1 3 320.264 2.027 20 0 DEADHO CN(C/C=C/Cl)C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001370301671 1149505663 /nfs/dbraw/zinc/50/56/63/1149505663.db2.gz HHVWSBDUOFITEP-PPYMECGQSA-N 1 3 315.889 2.251 20 0 DEADHO CC(C)(C)OC(=O)NOCCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001335567670 1150457801 /nfs/dbraw/zinc/45/78/01/1150457801.db2.gz KEPOFCFMJSJDAK-KGLIPLIRSA-N 1 3 313.442 2.049 20 0 DEADHO CC(C)(C)OC(=O)NOCCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001335567670 1150457813 /nfs/dbraw/zinc/45/78/13/1150457813.db2.gz KEPOFCFMJSJDAK-KGLIPLIRSA-N 1 3 313.442 2.049 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]C[C@@H](O)c2ccccc2F)C[C@H](C)O1 ZINC001335941243 1150565225 /nfs/dbraw/zinc/56/52/25/1150565225.db2.gz JNSCBQXPMRAFAZ-RVKKMQEKSA-N 1 3 324.440 2.338 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](CNCCC(=O)Nc2cccc(F)c2)C1 ZINC001335942936 1150565946 /nfs/dbraw/zinc/56/59/46/1150565946.db2.gz UCJAQUARAUAHTG-AWEZNQCLSA-N 1 3 307.413 2.474 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](CNCCC(=O)Nc2cccc(F)c2)C1 ZINC001335942936 1150565948 /nfs/dbraw/zinc/56/59/48/1150565948.db2.gz UCJAQUARAUAHTG-AWEZNQCLSA-N 1 3 307.413 2.474 20 0 DEADHO COc1cnc(F)c(CN2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c1 ZINC001343335247 1150735206 /nfs/dbraw/zinc/73/52/06/1150735206.db2.gz WICPDQZXOHWSRB-YDHLFZDLSA-N 1 3 307.413 2.391 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001370424228 1149692903 /nfs/dbraw/zinc/69/29/03/1149692903.db2.gz CPZZZIQURRNUIL-HKMNZKMDSA-N 1 3 315.461 2.231 20 0 DEADHO CC[NH2+][C@H](C)c1ccc(CNC(=O)Cc2nc[nH]c2C)cc1 ZINC001368415533 1148438930 /nfs/dbraw/zinc/43/89/30/1148438930.db2.gz SDXSLSKNWHMLDP-GFCCVEGCSA-N 1 3 300.406 2.248 20 0 DEADHO CN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)C/C=C/Cl)C1 ZINC001404575452 1163716944 /nfs/dbraw/zinc/71/69/44/1163716944.db2.gz JDBCFRUABXVWBS-YKHJJTLOSA-N 1 3 313.873 2.004 20 0 DEADHO CN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)C/C=C/Cl)C1 ZINC001404575452 1163716949 /nfs/dbraw/zinc/71/69/49/1163716949.db2.gz JDBCFRUABXVWBS-YKHJJTLOSA-N 1 3 313.873 2.004 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[N@H+](C)CCc1ccccc1)N(C)C ZINC001368949122 1148802829 /nfs/dbraw/zinc/80/28/29/1148802829.db2.gz BWJARJPLFOBIIL-DOTOQJQBSA-N 1 3 305.466 2.006 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)CCc1ccccc1)N(C)C ZINC001368949122 1148802831 /nfs/dbraw/zinc/80/28/31/1148802831.db2.gz BWJARJPLFOBIIL-DOTOQJQBSA-N 1 3 305.466 2.006 20 0 DEADHO CC[C@H](C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001425497320 1174340084 /nfs/dbraw/zinc/34/00/84/1174340084.db2.gz WVRDDJICCZQEMV-HOCLYGCPSA-N 1 3 309.498 2.343 20 0 DEADHO [NH3+]CCCCNCc1ccccc1I ZINC001328682895 1148824124 /nfs/dbraw/zinc/82/41/24/1148824124.db2.gz VRRHMFWHBPDXRD-UHFFFAOYSA-N 1 3 304.175 2.120 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CCC(C)(C)C)C1 ZINC001499926042 1058381527 /nfs/dbraw/zinc/38/15/27/1058381527.db2.gz CZGMKHPOOBKZDZ-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001501181166 1059357789 /nfs/dbraw/zinc/35/77/89/1059357789.db2.gz CHMXNFLSADJYJJ-WKILWMFISA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC3CCC3)C[C@@H]2C1 ZINC001369163573 1148859064 /nfs/dbraw/zinc/85/90/64/1148859064.db2.gz QRGKHFDOWNIZAE-OKZBNKHCSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC3CCC3)C[C@@H]2C1 ZINC001369163573 1148859067 /nfs/dbraw/zinc/85/90/67/1148859067.db2.gz QRGKHFDOWNIZAE-OKZBNKHCSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](CC[NH2+]CCC(F)(F)F)C1 ZINC001501650270 1059608803 /nfs/dbraw/zinc/60/88/03/1059608803.db2.gz FRXRQESADPJQPQ-CYBMUJFWSA-N 1 3 323.403 2.107 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]CC[C@@H](C)F)CCC1 ZINC001501950532 1059801006 /nfs/dbraw/zinc/80/10/06/1059801006.db2.gz KTOMKMZHSFATQG-CABCVRRESA-N 1 3 313.461 2.236 20 0 DEADHO CC(C)CCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001502771820 1060287056 /nfs/dbraw/zinc/28/70/56/1060287056.db2.gz CERIWYGDMFFKOC-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO O[C@H](CC1CCCC1)CN1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001473877617 1060750071 /nfs/dbraw/zinc/75/00/71/1060750071.db2.gz WBXRXTHFFRLAEZ-GOSISDBHSA-N 1 3 324.509 2.240 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001505737181 1060916135 /nfs/dbraw/zinc/91/61/35/1060916135.db2.gz BHTNQBXQAOIBJD-RYUDHWBXSA-N 1 3 306.454 2.180 20 0 DEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCN(C)[C@H]2C)C1 ZINC001477866301 1061194662 /nfs/dbraw/zinc/19/46/62/1061194662.db2.gz ABSOBMVKGLQVJN-XHSDSOJGSA-N 1 3 324.513 2.279 20 0 DEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CCN(C)[C@H]2C)C1 ZINC001477866301 1061194688 /nfs/dbraw/zinc/19/46/88/1061194688.db2.gz ABSOBMVKGLQVJN-XHSDSOJGSA-N 1 3 324.513 2.279 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NC/C=C/C3CC3)CC2)CC1 ZINC001329084056 1148863922 /nfs/dbraw/zinc/86/39/22/1148863922.db2.gz IQNLDXHOSWACEU-ONEGZZNKSA-N 1 3 319.493 2.265 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001506065274 1061635009 /nfs/dbraw/zinc/63/50/09/1061635009.db2.gz MGSMMLVGNBAHLH-MAUKXSAKSA-N 1 3 317.477 2.451 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001506065274 1061635017 /nfs/dbraw/zinc/63/50/17/1061635017.db2.gz MGSMMLVGNBAHLH-MAUKXSAKSA-N 1 3 317.477 2.451 20 0 DEADHO CN(CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)Cc1ccsc1 ZINC001479808541 1061815141 /nfs/dbraw/zinc/81/51/41/1061815141.db2.gz GQXDWFWCVRFMNZ-AWEZNQCLSA-N 1 3 309.479 2.028 20 0 DEADHO CN(CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)Cc1ccsc1 ZINC001479808541 1061815158 /nfs/dbraw/zinc/81/51/58/1061815158.db2.gz GQXDWFWCVRFMNZ-AWEZNQCLSA-N 1 3 309.479 2.028 20 0 DEADHO C[C@H](NC(=O)C(C)(C)N1CCCC1)C1C[NH+](CC2CCC2)C1 ZINC001506639545 1062223726 /nfs/dbraw/zinc/22/37/26/1062223726.db2.gz DVZLHZQKALYVKC-AWEZNQCLSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H](C(=O)N1CC[C@H](NC/C=C/Cl)C1)[NH+]1CCCCCC1 ZINC001480117881 1062344426 /nfs/dbraw/zinc/34/44/26/1062344426.db2.gz JSNRZXCJNROGDW-ODYMAQSMSA-N 1 3 313.873 2.194 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001480168603 1062419861 /nfs/dbraw/zinc/41/98/61/1062419861.db2.gz QOJVEHIBXGORRO-QAQDUYKDSA-N 1 3 317.477 2.382 20 0 DEADHO C[C@@H](F)CC[N@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001506958539 1062597821 /nfs/dbraw/zinc/59/78/21/1062597821.db2.gz HUVXRMSOWDCXFV-CQSZACIVSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@@H](F)CC[N@@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001506958539 1062597852 /nfs/dbraw/zinc/59/78/52/1062597852.db2.gz HUVXRMSOWDCXFV-CQSZACIVSA-N 1 3 313.461 2.142 20 0 DEADHO CN(CC(=O)N1CCC[C@H](C[NH2+]CC2CC2)C1)CC(C)(C)C ZINC001480296423 1062601639 /nfs/dbraw/zinc/60/16/39/1062601639.db2.gz WYVSIVBVGRHIFJ-MRXNPFEDSA-N 1 3 309.498 2.203 20 0 DEADHO CC[C@H](F)C[NH2+]C1CCC(NC(=O)CN(C)C2CCC2)CC1 ZINC001480403117 1062807939 /nfs/dbraw/zinc/80/79/39/1062807939.db2.gz MBPZFBHUPUNWBK-NFOMZHRRSA-N 1 3 313.461 2.236 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]C/C=C/Cl ZINC001480461804 1062894097 /nfs/dbraw/zinc/89/40/97/1062894097.db2.gz OUFIFYKFFIIKOI-GWJCSSMESA-N 1 3 301.862 2.098 20 0 DEADHO CC[N@H+](CCNC(=O)c1cccc(CN(C)C)c1)CC1CC1 ZINC001493063619 1063527460 /nfs/dbraw/zinc/52/74/60/1063527460.db2.gz XOMNPRZRCXCFTF-UHFFFAOYSA-N 1 3 303.450 2.210 20 0 DEADHO CC[N@@H+](CCNC(=O)c1cccc(CN(C)C)c1)CC1CC1 ZINC001493063619 1063527481 /nfs/dbraw/zinc/52/74/81/1063527481.db2.gz XOMNPRZRCXCFTF-UHFFFAOYSA-N 1 3 303.450 2.210 20 0 DEADHO CCC[NH2+][C@H]1CN(C(=O)CN(C)CCC)CC[C@H]1C(F)(F)F ZINC001508085563 1063542352 /nfs/dbraw/zinc/54/23/52/1063542352.db2.gz MLZOTEQEAIEQHX-OLZOCXBDSA-N 1 3 323.403 2.107 20 0 DEADHO C[C@H](F)CC[NH2+]C1CC(N(C)C(=O)CN2CCC(C)CC2)C1 ZINC001508140949 1063576924 /nfs/dbraw/zinc/57/69/24/1063576924.db2.gz AWKAPFMGSWYOMH-FHERZECASA-N 1 3 313.461 2.045 20 0 DEADHO CC[C@@H](F)CN1CC[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001493269750 1063682666 /nfs/dbraw/zinc/68/26/66/1063682666.db2.gz YTFHKRYCOJQECD-JKSUJKDBSA-N 1 3 313.461 2.049 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@H](C)[NH2+]C/C=C\Cl)CC1 ZINC001493846495 1063988661 /nfs/dbraw/zinc/98/86/61/1063988661.db2.gz GWAZRGHLLDVZGA-PODYEWJSSA-N 1 3 315.889 2.297 20 0 DEADHO CN(CCNCc1ccsc1)C(=O)CC1CC[NH+](C)CC1 ZINC001567570668 1064259114 /nfs/dbraw/zinc/25/91/14/1064259114.db2.gz CRSSHJUAPSUJHY-UHFFFAOYSA-N 1 3 309.479 2.028 20 0 DEADHO CC/C=C/CC[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001567738468 1064391667 /nfs/dbraw/zinc/39/16/67/1064391667.db2.gz PQIPPVSOHRHCRY-MBVDDHJVSA-N 1 3 304.438 2.089 20 0 DEADHO CC/C=C/CC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001567738468 1064391684 /nfs/dbraw/zinc/39/16/84/1064391684.db2.gz PQIPPVSOHRHCRY-MBVDDHJVSA-N 1 3 304.438 2.089 20 0 DEADHO CC(C)(C)CCCN1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001494681727 1064409970 /nfs/dbraw/zinc/40/99/70/1064409970.db2.gz QSAMTVDDSOHICF-HOTGVXAUSA-N 1 3 319.493 2.194 20 0 DEADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1csc(C)c1 ZINC001495148283 1064729660 /nfs/dbraw/zinc/72/96/60/1064729660.db2.gz ZRIAFOYBGZQIEW-HNNXBMFYSA-N 1 3 311.495 2.381 20 0 DEADHO CC(C)=CCN(C)CCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001568501430 1064914394 /nfs/dbraw/zinc/91/43/94/1064914394.db2.gz LTXORELWBUWKNZ-IRXDYDNUSA-N 1 3 309.498 2.463 20 0 DEADHO CC(C)=CCN(C)CCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001568501431 1064916722 /nfs/dbraw/zinc/91/67/22/1064916722.db2.gz LTXORELWBUWKNZ-SJORKVTESA-N 1 3 309.498 2.463 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H]([NH2+]CC[C@H](C)F)CC1 ZINC001495477340 1064933080 /nfs/dbraw/zinc/93/30/80/1064933080.db2.gz YJAATAMTXDRXSL-UBHSHLNASA-N 1 3 310.417 2.026 20 0 DEADHO C[C@@H](CC[NH2+]Cc1ccccc1)NC(=O)CN1CC[C@@H](C)C1 ZINC001568678208 1065044811 /nfs/dbraw/zinc/04/48/11/1065044811.db2.gz MVLSZHVESWVJNG-CVEARBPZSA-N 1 3 303.450 2.013 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC/C=C/C[NH2+]CCC2CCCC2)C1 ZINC001568920513 1065191447 /nfs/dbraw/zinc/19/14/47/1065191447.db2.gz WYNOSIIYFWNCFC-DWTRPJMMSA-N 1 3 307.482 2.171 20 0 DEADHO CCCCC[NH+]1CC2(C1)CCN(C(=O)CN(C)C(C)C)CC2 ZINC001495981222 1065206374 /nfs/dbraw/zinc/20/63/74/1065206374.db2.gz UGNXSNOEJPTXBG-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CCC1([NH2+]CCC2CC2)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001368594939 1148515715 /nfs/dbraw/zinc/51/57/15/1148515715.db2.gz QMDDWIIZBKSUPG-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H](CNC/C=C\Cl)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001569071216 1065269132 /nfs/dbraw/zinc/26/91/32/1065269132.db2.gz AXASDJHDWUMXKM-YHAOYDPOSA-N 1 3 315.889 2.345 20 0 DEADHO C[C@@H](C[NH2+]CCC1CC1)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001569081499 1065274242 /nfs/dbraw/zinc/27/42/42/1065274242.db2.gz OMHWBSBQEWJDAR-SUMWQHHRSA-N 1 3 313.461 2.093 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)CC(C)(C)C ZINC001496153646 1065310090 /nfs/dbraw/zinc/31/00/90/1065310090.db2.gz JCLTWGNRFHBCKS-KGLIPLIRSA-N 1 3 303.466 2.149 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC=C(C)C)C1CC1 ZINC001569305840 1065419484 /nfs/dbraw/zinc/41/94/84/1065419484.db2.gz BECNOMYNMCDEHP-IAGOWNOFSA-N 1 3 307.482 2.311 20 0 DEADHO CC(C)(C(=O)N[C@H](C[NH2+]C/C=C/Cl)C1CC1)N1CCCC1 ZINC001569314154 1065424257 /nfs/dbraw/zinc/42/42/57/1065424257.db2.gz ANULOWLCINQXGA-LHRNQBEKSA-N 1 3 313.873 2.098 20 0 DEADHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CC1=CCCCC1 ZINC001570467629 1066084305 /nfs/dbraw/zinc/08/43/05/1066084305.db2.gz NSQVEFIPSINSMX-HOTGVXAUSA-N 1 3 307.482 2.313 20 0 DEADHO CCN(CCNC/C=C\Cl)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001497463900 1066106630 /nfs/dbraw/zinc/10/66/30/1066106630.db2.gz JFKLOGDTDATYNU-SOIVGHGOSA-N 1 3 315.889 2.440 20 0 DEADHO CCN(CCNC/C=C\Cl)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001497463900 1066106634 /nfs/dbraw/zinc/10/66/34/1066106634.db2.gz JFKLOGDTDATYNU-SOIVGHGOSA-N 1 3 315.889 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+][C@H](C)c1ccc(F)cc1 ZINC001497993693 1066450135 /nfs/dbraw/zinc/45/01/35/1066450135.db2.gz TXXJWKJOACZADN-ZIAGYGMSSA-N 1 3 309.429 2.321 20 0 DEADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1C[C@H](O)CC[C@@H](O)c1ccccc1 ZINC001576117142 1066497028 /nfs/dbraw/zinc/49/70/28/1066497028.db2.gz IBDGDZTYKHAUEP-XOYOTBSWSA-N 1 3 306.450 2.063 20 0 DEADHO C[C@H](N)[C@@H]1CCCC[N@H+]1C[C@H](O)CC[C@@H](O)c1ccccc1 ZINC001576117142 1066497034 /nfs/dbraw/zinc/49/70/34/1066497034.db2.gz IBDGDZTYKHAUEP-XOYOTBSWSA-N 1 3 306.450 2.063 20 0 DEADHO C[C@@H](c1cccc(Cl)c1)N(C)C[C@@H]1CC2(C[NH2+]C2)C(=O)O1 ZINC001576301326 1066553850 /nfs/dbraw/zinc/55/38/50/1066553850.db2.gz KVCDCYLIQKWQCK-FZMZJTMJSA-N 1 3 308.809 2.238 20 0 DEADHO CC1(C)CCC[C@](O)(C[NH2+][C@H]2C[C@@H](N)C23CCOCC3)CC1 ZINC001576427680 1066603917 /nfs/dbraw/zinc/60/39/17/1066603917.db2.gz ZUVFCBIQDLMYKX-HLLBOEOZSA-N 1 3 310.482 2.194 20 0 DEADHO C[C@H]1CN(C(=O)[C@H](C[NH3+])c2ccccc2)CCN1C1CCCC1 ZINC001576760513 1066681402 /nfs/dbraw/zinc/68/14/02/1066681402.db2.gz RGYNGKSDJSZVEK-MAUKXSAKSA-N 1 3 315.461 2.204 20 0 DEADHO C[C@H]1CN(C(=O)C2(C3CC[NH2+]CC3)CC2)CCN1C1CCCC1 ZINC001576760400 1066681774 /nfs/dbraw/zinc/68/17/74/1066681774.db2.gz PJGPITXKWVTIAC-HNNXBMFYSA-N 1 3 319.493 2.242 20 0 DEADHO CC[C@@H](C)N[C@@H](CNC(=O)[C@H]1CC[C@H]([NH3+])CC1)c1ccco1 ZINC001577002919 1066744286 /nfs/dbraw/zinc/74/42/86/1066744286.db2.gz IUHXTFCYGDXQLV-TUVASFSCSA-N 1 3 307.438 2.343 20 0 DEADHO CN(CCC[NH2+]CCCC1CCCC1)C(=O)[C@H]1CCCN1C ZINC001498592247 1066791511 /nfs/dbraw/zinc/79/15/11/1066791511.db2.gz OGJDMQFMSYRFCN-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CCO[C@@H]1C[C@@](CO)([NH2+]C[C@H](N)CCC(C)(C)C)C1(C)C ZINC001578086970 1066978415 /nfs/dbraw/zinc/97/84/15/1066978415.db2.gz AYXXKUCTKCDSBN-CPUCHLNUSA-N 1 3 300.487 2.296 20 0 DEADHO CCOc1ccc(Cl)cc1CNCCN1CCC([NH3+])CC1 ZINC001578179370 1067008046 /nfs/dbraw/zinc/00/80/46/1067008046.db2.gz GKPDHFNQDVGINR-UHFFFAOYSA-N 1 3 311.857 2.251 20 0 DEADHO CN(C[C@@H]1CC[NH2+]C1)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001578454269 1067106886 /nfs/dbraw/zinc/10/68/86/1067106886.db2.gz XMOMRUOMDRYFSU-OAHLLOKOSA-N 1 3 311.470 2.175 20 0 DEADHO CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)CN(CC)CC ZINC001499506436 1067240559 /nfs/dbraw/zinc/24/05/59/1067240559.db2.gz ASVGAMVXMQHSTA-PMPSAXMXSA-N 1 3 313.461 2.142 20 0 DEADHO CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)CN(CC)CC ZINC001499506436 1067240566 /nfs/dbraw/zinc/24/05/66/1067240566.db2.gz ASVGAMVXMQHSTA-PMPSAXMXSA-N 1 3 313.461 2.142 20 0 DEADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@H](C(C)(C)O)C2)cc1 ZINC001579195319 1067255566 /nfs/dbraw/zinc/25/55/66/1067255566.db2.gz VORJOBYOMXDNRY-HOTGVXAUSA-N 1 3 306.450 2.220 20 0 DEADHO C[C@@H](C[N@H+](C)CCc1ccccc1)NC(=O)CN1CC[C@H](C)C1 ZINC001483384593 1078497245 /nfs/dbraw/zinc/49/72/45/1078497245.db2.gz QIPWYNFWWTYBHJ-IRXDYDNUSA-N 1 3 317.477 2.007 20 0 DEADHO C[C@@H](C[N@@H+](C)CCc1ccccc1)NC(=O)CN1CC[C@H](C)C1 ZINC001483384593 1078497247 /nfs/dbraw/zinc/49/72/47/1078497247.db2.gz QIPWYNFWWTYBHJ-IRXDYDNUSA-N 1 3 317.477 2.007 20 0 DEADHO COc1ccccc1-c1nnc(CN2C[C@@H](C)[C@H](CC[NH3+])C2)o1 ZINC001579297549 1067294055 /nfs/dbraw/zinc/29/40/55/1067294055.db2.gz UILHWCOGHVBSIZ-CHWSQXEVSA-N 1 3 316.405 2.162 20 0 DEADHO C[C@H](CN(C)Cc1cccc(Cl)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001483417997 1078521477 /nfs/dbraw/zinc/52/14/77/1078521477.db2.gz RHPCIFUWSHMZDF-HIFRSBDPSA-N 1 3 323.868 2.228 20 0 DEADHO C[C@H](CN(C)Cc1cccc(Cl)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001483417997 1078521480 /nfs/dbraw/zinc/52/14/80/1078521480.db2.gz RHPCIFUWSHMZDF-HIFRSBDPSA-N 1 3 323.868 2.228 20 0 DEADHO Cn1c2ccccc2cc(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1=O ZINC001579939986 1067458589 /nfs/dbraw/zinc/45/85/89/1067458589.db2.gz JPCKHLGOLBGSAD-LPHOPBHVSA-N 1 3 311.429 2.099 20 0 DEADHO [NH3+][C@H]1C[C@H](NCCc2cnc3ccccc3c2)C12CCOCC2 ZINC001580162644 1067512895 /nfs/dbraw/zinc/51/28/95/1067512895.db2.gz CONWBCCSYPEQHD-ROUUACIJSA-N 1 3 311.429 2.263 20 0 DEADHO CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CCCCN2CC)cc1 ZINC001267098282 1078572777 /nfs/dbraw/zinc/57/27/77/1078572777.db2.gz KLUITQBKPJLKHB-GOSISDBHSA-N 1 3 317.477 2.329 20 0 DEADHO CC(C)(C(=O)N[C@@H](C[NH2+]CC1CCC1)C1CC1)N1CCCC1 ZINC001483580983 1078610144 /nfs/dbraw/zinc/61/01/44/1078610144.db2.gz WNTVWYNQHIEUKG-INIZCTEOSA-N 1 3 307.482 2.145 20 0 DEADHO CN(C)C1(C(=O)N(C)[C@@H](C[NH2+]C/C=C\Cl)C2CC2)CCC1 ZINC001571361512 1068248068 /nfs/dbraw/zinc/24/80/68/1068248068.db2.gz PXDUAIQMEWWHMH-MFNCVGGLSA-N 1 3 313.873 2.050 20 0 DEADHO CC[C@@H]1CN(C(=O)C2C[NH+](C3CCCCC3)C2)[C@@H](CC)CN1 ZINC001573721507 1069082212 /nfs/dbraw/zinc/08/22/12/1069082212.db2.gz ZGPSQCLFVIQLMC-CVEARBPZSA-N 1 3 307.482 2.240 20 0 DEADHO CC[C@H](C(=O)N(C)CC[NH2+]C[C@H]1CCCC(F)(F)C1)N(C)C ZINC001267456934 1078865156 /nfs/dbraw/zinc/86/51/56/1078865156.db2.gz OEGZUEMBIAWPJY-UONOGXRCSA-N 1 3 319.440 2.200 20 0 DEADHO C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1nc2c(s1)CNCC2 ZINC001574796596 1069265579 /nfs/dbraw/zinc/26/55/79/1069265579.db2.gz YHUKAYJDVIKIKD-CQSZACIVSA-N 1 3 320.506 2.143 20 0 DEADHO C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1nc2c(s1)CNCC2 ZINC001574796596 1069265587 /nfs/dbraw/zinc/26/55/87/1069265587.db2.gz YHUKAYJDVIKIKD-CQSZACIVSA-N 1 3 320.506 2.143 20 0 DEADHO CCN1CCC[C@H](C[NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)C1 ZINC001645611790 1078935783 /nfs/dbraw/zinc/93/57/83/1078935783.db2.gz QKULANKCTPINPL-HUUCEWRRSA-N 1 3 314.437 2.045 20 0 DEADHO CC[N@@H+]1CCC[C@H](CN[C@H](C)c2ccc(-n3cnnn3)cc2)C1 ZINC001645611790 1078935786 /nfs/dbraw/zinc/93/57/86/1078935786.db2.gz QKULANKCTPINPL-HUUCEWRRSA-N 1 3 314.437 2.045 20 0 DEADHO CC[N@H+]1CCC[C@H](CN[C@H](C)c2ccc(-n3cnnn3)cc2)C1 ZINC001645611790 1078935788 /nfs/dbraw/zinc/93/57/88/1078935788.db2.gz QKULANKCTPINPL-HUUCEWRRSA-N 1 3 314.437 2.045 20 0 DEADHO CC[N@H+](CCNC(=O)[C@@H]1CCCN1C)Cc1cccc(Cl)c1 ZINC001480966055 1079010018 /nfs/dbraw/zinc/01/00/18/1079010018.db2.gz ZSHRUMGQDSNYBK-INIZCTEOSA-N 1 3 323.868 2.372 20 0 DEADHO CC[N@@H+](CCNC(=O)[C@@H]1CCCN1C)Cc1cccc(Cl)c1 ZINC001480966055 1079010025 /nfs/dbraw/zinc/01/00/25/1079010025.db2.gz ZSHRUMGQDSNYBK-INIZCTEOSA-N 1 3 323.868 2.372 20 0 DEADHO CC(C)CC[NH+]1CC([C@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001409907217 1079094391 /nfs/dbraw/zinc/09/43/91/1079094391.db2.gz IQWGRSMBSRFOEM-HNNXBMFYSA-N 1 3 309.498 2.343 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N[C@H]1C[NH2+]C[C@@H]1c1ccccc1 ZINC001550075484 1073412832 /nfs/dbraw/zinc/41/28/32/1073412832.db2.gz DRNDNKIIWHRTMX-QYZOEREBSA-N 1 3 321.424 2.093 20 0 DEADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCN(C2CCC2)C1 ZINC001550366523 1073616703 /nfs/dbraw/zinc/61/67/03/1073616703.db2.gz NTYFYDCLNKAPQA-JQHSSLGASA-N 1 3 319.493 2.336 20 0 DEADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CCN(C2CCC2)C1 ZINC001550366523 1073616706 /nfs/dbraw/zinc/61/67/06/1073616706.db2.gz NTYFYDCLNKAPQA-JQHSSLGASA-N 1 3 319.493 2.336 20 0 DEADHO Cc1nc(F)ccc1CN[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@@H]1O ZINC001550422139 1073646715 /nfs/dbraw/zinc/64/67/15/1073646715.db2.gz NOJVIPQPGANDFL-ATLSCFEFSA-N 1 3 321.440 2.098 20 0 DEADHO Cc1nc(F)ccc1CN[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@@H]1O ZINC001550422139 1073646717 /nfs/dbraw/zinc/64/67/17/1073646717.db2.gz NOJVIPQPGANDFL-ATLSCFEFSA-N 1 3 321.440 2.098 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NCc1ccccc1F)C2 ZINC001550423965 1073649465 /nfs/dbraw/zinc/64/94/65/1073649465.db2.gz VKALYUWTHJCNRS-XSLAGTTESA-N 1 3 306.425 2.395 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NCc1ccccc1F)C2 ZINC001550423965 1073649469 /nfs/dbraw/zinc/64/94/69/1073649469.db2.gz VKALYUWTHJCNRS-XSLAGTTESA-N 1 3 306.425 2.395 20 0 DEADHO CO[C@H]1C[C@H](C[NH+]2CCCC2)N(c2cc(N)ncc2Cl)C1 ZINC001550624277 1073752714 /nfs/dbraw/zinc/75/27/14/1073752714.db2.gz RTQMTQKPONZUBG-NEPJUHHUSA-N 1 3 310.829 2.007 20 0 DEADHO CC(C)CCN1CCC([NH2+][C@@H]2CCO[C@@H]2c2ccnn2C)CC1 ZINC001550634340 1073761470 /nfs/dbraw/zinc/76/14/70/1073761470.db2.gz UBOFLMNREQHJPQ-AEFFLSMTSA-N 1 3 320.481 2.350 20 0 DEADHO Cc1cc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@@H]2O)cnc1F ZINC001550667983 1073786955 /nfs/dbraw/zinc/78/69/55/1073786955.db2.gz VGJIGKKAKHQVEO-HPFXQQBRSA-N 1 3 321.440 2.098 20 0 DEADHO Cc1cc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@@H]2O)cnc1F ZINC001550667983 1073786959 /nfs/dbraw/zinc/78/69/59/1073786959.db2.gz VGJIGKKAKHQVEO-HPFXQQBRSA-N 1 3 321.440 2.098 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CNCc1ccccc1F ZINC001483950451 1079206543 /nfs/dbraw/zinc/20/65/43/1079206543.db2.gz NWAFSHRPULQTFL-INIZCTEOSA-N 1 3 321.440 2.248 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNCc1ccccc1F ZINC001483950451 1079206549 /nfs/dbraw/zinc/20/65/49/1079206549.db2.gz NWAFSHRPULQTFL-INIZCTEOSA-N 1 3 321.440 2.248 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2[NH3+])c1 ZINC001551308835 1074157978 /nfs/dbraw/zinc/15/79/78/1074157978.db2.gz KYCRQXHJWQEIGR-MSOLQXFVSA-N 1 3 324.428 2.494 20 0 DEADHO Cc1ccc(CN2CCCN(C(=O)C[C@@H]([NH3+])C3CC3)CC2)cc1 ZINC001649844424 1079258899 /nfs/dbraw/zinc/25/88/99/1079258899.db2.gz ZZRVPDUMGRGLNG-GOSISDBHSA-N 1 3 315.461 2.157 20 0 DEADHO O[C@@H](CN1CCCC2(CC[NH2+]CC2)C1)c1ccc(F)cc1F ZINC001646280560 1074398559 /nfs/dbraw/zinc/39/85/59/1074398559.db2.gz STMVNFWGFYZLIO-INIZCTEOSA-N 1 3 310.388 2.464 20 0 DEADHO Cc1nccn1-c1ccncc1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001646330456 1074417747 /nfs/dbraw/zinc/41/77/47/1074417747.db2.gz RDQZBBHFRYVMCC-MRXNPFEDSA-N 1 3 313.405 2.387 20 0 DEADHO Cc1nccn1-c1ccncc1NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001646330456 1074417749 /nfs/dbraw/zinc/41/77/49/1074417749.db2.gz RDQZBBHFRYVMCC-MRXNPFEDSA-N 1 3 313.405 2.387 20 0 DEADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@H]1CCCC[NH2+]C1 ZINC001552413779 1074571983 /nfs/dbraw/zinc/57/19/83/1074571983.db2.gz BEELIZXFDUABJA-ROUUACIJSA-N 1 3 315.461 2.329 20 0 DEADHO N[C@H](C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)C1CCCCCC1 ZINC001646748264 1074596232 /nfs/dbraw/zinc/59/62/32/1074596232.db2.gz KZKUVWAZPRPSHJ-SJORKVTESA-N 1 3 307.482 2.132 20 0 DEADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCCO[C@@H]2c2ccnn2C)C1 ZINC001552526835 1074597141 /nfs/dbraw/zinc/59/71/41/1074597141.db2.gz LAZRAKIZSFOXLR-BQFCYCMXSA-N 1 3 320.481 2.161 20 0 DEADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCO[C@@H]2c2ccnn2C)C1 ZINC001552526835 1074597151 /nfs/dbraw/zinc/59/71/51/1074597151.db2.gz LAZRAKIZSFOXLR-BQFCYCMXSA-N 1 3 320.481 2.161 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C[C@@H]2CCCO[C@@H]2c2ccnn2C)C1 ZINC001552526835 1074597168 /nfs/dbraw/zinc/59/71/68/1074597168.db2.gz LAZRAKIZSFOXLR-BQFCYCMXSA-N 1 3 320.481 2.161 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@@H]2CCCO[C@@H]2c2ccnn2C)C1 ZINC001552526835 1074597180 /nfs/dbraw/zinc/59/71/80/1074597180.db2.gz LAZRAKIZSFOXLR-BQFCYCMXSA-N 1 3 320.481 2.161 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001552833371 1074672355 /nfs/dbraw/zinc/67/23/55/1074672355.db2.gz XLNGQPRKHAWRAJ-FUHWJXTLSA-N 1 3 317.433 2.228 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N(C)C[C@H](C)NC/C=C\Cl)CC1 ZINC001369279999 1148890348 /nfs/dbraw/zinc/89/03/48/1148890348.db2.gz BLMKYUOALGZFII-PODYEWJSSA-N 1 3 315.889 2.296 20 0 DEADHO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC001647159357 1074821312 /nfs/dbraw/zinc/82/13/12/1074821312.db2.gz RXKJBKOUWAKHQU-IXDOHACOSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@H]1[NH2+]CCn2c(-c3nc([C@@H]4CN5CCC4CC5)no3)ccc21 ZINC001553314453 1074838862 /nfs/dbraw/zinc/83/88/62/1074838862.db2.gz FHIRVKUFGJPSGN-DGCLKSJQSA-N 1 3 313.405 2.012 20 0 DEADHO C[C@@H]([NH3+])c1ccc(NC(=O)c2cnc([C@H]3CCCN3)nc2)cc1 ZINC001553360071 1074847955 /nfs/dbraw/zinc/84/79/55/1074847955.db2.gz YKZRMJQQISHIKU-IAQYHMDHSA-N 1 3 311.389 2.173 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001553485851 1074891422 /nfs/dbraw/zinc/89/14/22/1074891422.db2.gz BVSHQUNWSANUOI-MAUKXSAKSA-N 1 3 322.497 2.034 20 0 DEADHO N[C@@H]1C[C@H]([NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)C12CCC2 ZINC001647439068 1074927527 /nfs/dbraw/zinc/92/75/27/1074927527.db2.gz JSVQYRLQAUBRGS-RNJOBUHISA-N 1 3 306.372 2.330 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001647614861 1074956131 /nfs/dbraw/zinc/95/61/31/1074956131.db2.gz FUOBDHQIGUFRAV-ROUUACIJSA-N 1 3 315.461 2.109 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001647614861 1074956132 /nfs/dbraw/zinc/95/61/32/1074956132.db2.gz FUOBDHQIGUFRAV-ROUUACIJSA-N 1 3 315.461 2.109 20 0 DEADHO O=C(OC[C@@H]1CCC[N@@H+]1CC1CC1)C1CCN(C2CC2)CC1 ZINC001649268571 1075012475 /nfs/dbraw/zinc/01/24/75/1075012475.db2.gz SHULQSYAQVIHSF-KRWDZBQOSA-N 1 3 306.450 2.278 20 0 DEADHO O=C(OC[C@@H]1CCC[N@H+]1CC1CC1)C1CCN(C2CC2)CC1 ZINC001649268571 1075012480 /nfs/dbraw/zinc/01/24/80/1075012480.db2.gz SHULQSYAQVIHSF-KRWDZBQOSA-N 1 3 306.450 2.278 20 0 DEADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCc1ccccc1)N(C)C ZINC001369282740 1148891238 /nfs/dbraw/zinc/89/12/38/1148891238.db2.gz GDLKLPXFHRUJFK-WBVHZDCISA-N 1 3 305.466 2.006 20 0 DEADHO CC/C=C\CC[NH+]1CC(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001267693144 1079381626 /nfs/dbraw/zinc/38/16/26/1079381626.db2.gz UHVBONIGRKYBEY-FPLPWBNLSA-N 1 3 309.498 2.369 20 0 DEADHO [NH3+]Cc1cccc(CN[C@H]2CC(=O)N(C3CCCCC3)C2)c1 ZINC001580342716 1075906973 /nfs/dbraw/zinc/90/69/73/1075906973.db2.gz DWBNNWWUFRJJGU-INIZCTEOSA-N 1 3 301.434 2.169 20 0 DEADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)[C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001580590382 1075956176 /nfs/dbraw/zinc/95/61/76/1075956176.db2.gz JRRJQJBDJAIZDQ-OWSLCNJRSA-N 1 3 313.445 2.080 20 0 DEADHO O[C@@H](CN1CCC([C@H]2[NH2+]CC23CCC3)CC1)CC(F)(F)F ZINC001580877898 1076011354 /nfs/dbraw/zinc/01/13/54/1076011354.db2.gz GMORDKODDSDGKK-CHWSQXEVSA-N 1 3 306.372 2.154 20 0 DEADHO O[C@H](CN1CCC[C@H]1c1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001580877894 1076011479 /nfs/dbraw/zinc/01/14/79/1076011479.db2.gz GKPCEUMCNBQCDR-DLBZAZTESA-N 1 3 310.388 2.462 20 0 DEADHO C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC001589973212 1076540232 /nfs/dbraw/zinc/54/02/32/1076540232.db2.gz DJMWLAVMKOMOGP-WDEREUQCSA-N 1 3 318.400 2.045 20 0 DEADHO C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(-c2nn[n-]n2)cc1F ZINC001589973212 1076540237 /nfs/dbraw/zinc/54/02/37/1076540237.db2.gz DJMWLAVMKOMOGP-WDEREUQCSA-N 1 3 318.400 2.045 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+]CC2(C3(O)CCC3)CC2)CC1 ZINC001414185038 1079505849 /nfs/dbraw/zinc/50/58/49/1079505849.db2.gz GEIZAMSLLHMVRO-UHFFFAOYSA-N 1 3 322.493 2.305 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccccc1C[NH3+] ZINC001650349648 1079549418 /nfs/dbraw/zinc/54/94/18/1079549418.db2.gz WIARUKDRROTRSR-KXBFYZLASA-N 1 3 323.440 2.396 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C[NH2+]CCC1CC1 ZINC001484380397 1079578524 /nfs/dbraw/zinc/57/85/24/1079578524.db2.gz MYAVUJPUSHDLHV-AEFFLSMTSA-N 1 3 321.509 2.203 20 0 DEADHO CN(CC[NH2+]CCC1CC1)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001481279924 1079600009 /nfs/dbraw/zinc/60/00/09/1079600009.db2.gz PKTBMOOQXOQNEA-KRWDZBQOSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)CC[C@@H]([NH3+])C(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC001650442576 1079627985 /nfs/dbraw/zinc/62/79/85/1079627985.db2.gz MPNNMFHZNKOOIR-HZPDHXFCSA-N 1 3 309.429 2.308 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCCC2CCC2)C[C@@H]1C ZINC001284024948 1079711333 /nfs/dbraw/zinc/71/13/33/1079711333.db2.gz GAVHPIUPMAXZIA-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)C(C)(C)C1 ZINC001484935919 1079868162 /nfs/dbraw/zinc/86/81/62/1079868162.db2.gz CHIAXSLGDKOEDI-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)C(C)(C)C1 ZINC001484935919 1079868172 /nfs/dbraw/zinc/86/81/72/1079868172.db2.gz CHIAXSLGDKOEDI-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@H]1CC[N@@H+](CC2CC(C)C2)C1 ZINC001481455967 1079885688 /nfs/dbraw/zinc/88/56/88/1079885688.db2.gz DEFVYHFEJGRWTB-SIWZUTFBSA-N 1 3 318.465 2.135 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001481455967 1079885701 /nfs/dbraw/zinc/88/57/01/1079885701.db2.gz DEFVYHFEJGRWTB-SIWZUTFBSA-N 1 3 318.465 2.135 20 0 DEADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001481460089 1079900306 /nfs/dbraw/zinc/90/03/06/1079900306.db2.gz VAXAYPKGQHPCGL-OAHLLOKOSA-N 1 3 323.506 2.418 20 0 DEADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001481460089 1079900313 /nfs/dbraw/zinc/90/03/13/1079900313.db2.gz VAXAYPKGQHPCGL-OAHLLOKOSA-N 1 3 323.506 2.418 20 0 DEADHO CCN1CCC[C@H](C[NH2+]Cc2cn(C)nc2-c2cccnc2)C1 ZINC000069160286 1079954165 /nfs/dbraw/zinc/95/41/65/1079954165.db2.gz JFWJXBXFWAYUJU-OAHLLOKOSA-N 1 3 313.449 2.304 20 0 DEADHO C[C@H](C[NH2+]CCCC1CCC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001268068436 1080015402 /nfs/dbraw/zinc/01/54/02/1080015402.db2.gz LWCHLJOZMPUXTR-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](NCc1ccccc1F)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001485185515 1080045259 /nfs/dbraw/zinc/04/52/59/1080045259.db2.gz GCEYWJRPTYHPBO-KGLIPLIRSA-N 1 3 321.440 2.150 20 0 DEADHO CC[N@H+](CCCNC(=O)[C@@H]1CCCN1C)Cc1ccsc1 ZINC001660501992 1080345150 /nfs/dbraw/zinc/34/51/50/1080345150.db2.gz LOXSLBBWVQUOBH-HNNXBMFYSA-N 1 3 309.479 2.171 20 0 DEADHO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN1C)Cc1ccsc1 ZINC001660501992 1080345156 /nfs/dbraw/zinc/34/51/56/1080345156.db2.gz LOXSLBBWVQUOBH-HNNXBMFYSA-N 1 3 309.479 2.171 20 0 DEADHO CC(C)=CCN1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001481710216 1080345640 /nfs/dbraw/zinc/34/56/40/1080345640.db2.gz NAVWZOIFBWTASX-QGZVFWFLSA-N 1 3 307.482 2.409 20 0 DEADHO CC(C)=CCN1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001660859268 1080409829 /nfs/dbraw/zinc/40/98/29/1080409829.db2.gz IFKGUWXZEOEXCZ-KRWDZBQOSA-N 1 3 307.482 2.409 20 0 DEADHO CC/C=C/CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001481749136 1080436513 /nfs/dbraw/zinc/43/65/13/1080436513.db2.gz OVLFZSXKVIPUBG-AFYXXPPBSA-N 1 3 309.498 2.462 20 0 DEADHO CC/C=C/CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001481749136 1080436517 /nfs/dbraw/zinc/43/65/17/1080436517.db2.gz OVLFZSXKVIPUBG-AFYXXPPBSA-N 1 3 309.498 2.462 20 0 DEADHO CCn1ccc(CNCCc2ccc(OCC[NH+](C)C)cc2)n1 ZINC001661382358 1080475472 /nfs/dbraw/zinc/47/54/72/1080475472.db2.gz GMHUDFPNUMQJHR-UHFFFAOYSA-N 1 3 316.449 2.176 20 0 DEADHO CN(CC(=O)N1CCC(CC[NH2+]CCCF)CC1)C1CCC1 ZINC001481999880 1080680846 /nfs/dbraw/zinc/68/08/46/1080680846.db2.gz YNYVMECXKBXCCW-UHFFFAOYSA-N 1 3 313.461 2.049 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCCC1 ZINC001482111571 1080813417 /nfs/dbraw/zinc/81/34/17/1080813417.db2.gz YTILNKLSHLGJKC-NVXWUHKLSA-N 1 3 309.498 2.393 20 0 DEADHO CN(CC(=O)N(C)CCC[NH2+]C/C=C\Cl)CC(C)(C)C ZINC001268847810 1081018587 /nfs/dbraw/zinc/01/85/87/1081018587.db2.gz ODPIZGILIPRJLD-VURMDHGXSA-N 1 3 303.878 2.155 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]2C[NH2+]CCCF)c1 ZINC001666486442 1081155038 /nfs/dbraw/zinc/15/50/38/1081155038.db2.gz BQLVMRPLMZJOBC-QGZVFWFLSA-N 1 3 321.440 2.302 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(CC3CCCC3)CC2)C1 ZINC000949801648 1081204395 /nfs/dbraw/zinc/20/43/95/1081204395.db2.gz WKEBTSYOPXKVTG-GOSISDBHSA-N 1 3 321.509 2.443 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCN(CC3CCCC3)CC2)C1 ZINC000949801648 1081204400 /nfs/dbraw/zinc/20/44/00/1081204400.db2.gz WKEBTSYOPXKVTG-GOSISDBHSA-N 1 3 321.509 2.443 20 0 DEADHO CCCCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001667763256 1081287136 /nfs/dbraw/zinc/28/71/36/1081287136.db2.gz HYVBTKKNQRSVTK-HUUCEWRRSA-N 1 3 306.454 2.325 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCc1ccccc1 ZINC001669307546 1081444890 /nfs/dbraw/zinc/44/48/90/1081444890.db2.gz DZGWEOBECXUULL-AEFFLSMTSA-N 1 3 317.477 2.198 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC=C(C)C ZINC001270308971 1081498691 /nfs/dbraw/zinc/49/86/91/1081498691.db2.gz QHPQCFIBTYOSDA-IAGOWNOFSA-N 1 3 307.482 2.408 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]C/C=C/Cl ZINC001270308194 1081499099 /nfs/dbraw/zinc/49/90/99/1081499099.db2.gz CMFZOGUSBLUHIZ-VOTDVEDPSA-N 1 3 313.873 2.194 20 0 DEADHO C[C@H]([NH2+]CCCN(C)C(=O)Cc1c[nH]cn1)c1ccccc1 ZINC001670261307 1081506163 /nfs/dbraw/zinc/50/61/63/1081506163.db2.gz JKDRZAVEMUXYOI-AWEZNQCLSA-N 1 3 300.406 2.152 20 0 DEADHO CC(C)CC[N@H+]1CC=C(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001284976661 1081531906 /nfs/dbraw/zinc/53/19/06/1081531906.db2.gz LVURSEKDSGYMCP-QGZVFWFLSA-N 1 3 309.498 2.367 20 0 DEADHO CC(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001284976661 1081531908 /nfs/dbraw/zinc/53/19/08/1081531908.db2.gz LVURSEKDSGYMCP-QGZVFWFLSA-N 1 3 309.498 2.367 20 0 DEADHO CCCCC[NH+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001673016539 1081731975 /nfs/dbraw/zinc/73/19/75/1081731975.db2.gz KLOBPAKILOLLQS-KRWDZBQOSA-N 1 3 321.509 2.443 20 0 DEADHO CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001671257277 1081973031 /nfs/dbraw/zinc/97/30/31/1081973031.db2.gz QBOQFROPYIIMJR-OSNZYPHYSA-N 1 3 307.482 2.408 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CC1CCC1 ZINC001271493648 1082062199 /nfs/dbraw/zinc/06/21/99/1082062199.db2.gz BZVPSTGYBDJRQP-IRXDYDNUSA-N 1 3 307.482 2.242 20 0 DEADHO CCC/C=C\CCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001670646603 1082203709 /nfs/dbraw/zinc/20/37/09/1082203709.db2.gz XOTHBAATXFPREZ-SKACODALSA-N 1 3 307.482 2.264 20 0 DEADHO CCC/C=C\CCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001670646603 1082203712 /nfs/dbraw/zinc/20/37/12/1082203712.db2.gz XOTHBAATXFPREZ-SKACODALSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)C[C@@H]([NH3+])CC(=O)N(CCN(C)C)Cc1ccccc1F ZINC001648984661 1082396550 /nfs/dbraw/zinc/39/65/50/1082396550.db2.gz CTJSHRJIBUAQJZ-MRXNPFEDSA-N 1 3 323.456 2.479 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCCc1ccsc1 ZINC001266971212 1082483920 /nfs/dbraw/zinc/48/39/20/1082483920.db2.gz KFYBDIMCHMTTER-HUUCEWRRSA-N 1 3 323.506 2.117 20 0 DEADHO C[C@H](C[NH2+]C/C=C/c1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001483135762 1082768409 /nfs/dbraw/zinc/76/84/09/1082768409.db2.gz QCTNFFHQWOYDLX-AYAUWGRQSA-N 1 3 315.461 2.278 20 0 DEADHO C[C@@H](F)CC[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001409587695 1082970198 /nfs/dbraw/zinc/97/01/98/1082970198.db2.gz XXXDJGHXFYYPPF-CABCVRRESA-N 1 3 315.477 2.436 20 0 DEADHO C[C@@H](F)CC[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001409587695 1082970201 /nfs/dbraw/zinc/97/02/01/1082970201.db2.gz XXXDJGHXFYYPPF-CABCVRRESA-N 1 3 315.477 2.436 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccc(F)cc1 ZINC001483285499 1083073639 /nfs/dbraw/zinc/07/36/39/1083073639.db2.gz BZOLZXSTIOBLFN-UONOGXRCSA-N 1 3 309.429 2.323 20 0 DEADHO Cc1ccc(CNC2CC[NH+](CCC(=O)N(C)C)CC2)c(C)c1 ZINC001413116615 1083363299 /nfs/dbraw/zinc/36/32/99/1083363299.db2.gz XPWPLWCHKJELDY-UHFFFAOYSA-N 1 3 317.477 2.336 20 0 DEADHO Cc1ncsc1CN1CC[C@@]2(C1)CCC[N@@H+](CCN(C)C)C2 ZINC001276463601 1083452202 /nfs/dbraw/zinc/45/22/02/1083452202.db2.gz VNGAMYPEMKKMKX-KRWDZBQOSA-N 1 3 322.522 2.301 20 0 DEADHO Cc1ncsc1CN1CC[C@@]2(C1)CCC[N@H+](CCN(C)C)C2 ZINC001276463601 1083452208 /nfs/dbraw/zinc/45/22/08/1083452208.db2.gz VNGAMYPEMKKMKX-KRWDZBQOSA-N 1 3 322.522 2.301 20 0 DEADHO Cc1cc(CN2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)ccn1 ZINC001276806109 1083622215 /nfs/dbraw/zinc/62/22/15/1083622215.db2.gz GFEQXRIGGPXTSD-UHFFFAOYSA-N 1 3 316.493 2.240 20 0 DEADHO Cc1cc(CN2CCC3(CC[N@H+](CCN(C)C)C3)CC2)ccn1 ZINC001276806109 1083622222 /nfs/dbraw/zinc/62/22/22/1083622222.db2.gz GFEQXRIGGPXTSD-UHFFFAOYSA-N 1 3 316.493 2.240 20 0 DEADHO NCCC[NH2+]CCCNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC001239253113 1083768921 /nfs/dbraw/zinc/76/89/21/1083768921.db2.gz OEVYAEZIFVWKOA-UHFFFAOYSA-N 1 3 319.236 2.443 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H](C[NH2+]CCCF)C2)c1 ZINC001277092994 1083771286 /nfs/dbraw/zinc/77/12/86/1083771286.db2.gz VGRZQAWLVBNMKG-JCNLHEQBSA-N 1 3 321.440 2.206 20 0 DEADHO CN(C)C(=O)[C@H]1CCC[C@]12CCN(CCC[NH+]1CCCCC1)C2 ZINC001277183724 1083836525 /nfs/dbraw/zinc/83/65/25/1083836525.db2.gz POJBNVREJFQPTC-IEBWSBKVSA-N 1 3 321.509 2.443 20 0 DEADHO CCCCCCN1CC2(C[C@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001277224749 1083855823 /nfs/dbraw/zinc/85/58/23/1083855823.db2.gz DOGAPDKRVPWYBQ-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CCF ZINC001277313275 1083907036 /nfs/dbraw/zinc/90/70/36/1083907036.db2.gz FRVPYSXZFPEGAD-GJZGRUSLSA-N 1 3 301.450 2.093 20 0 DEADHO C[NH+](C)CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC1 ZINC001277450604 1083978687 /nfs/dbraw/zinc/97/86/87/1083978687.db2.gz ZDKGOCATPRGKCK-CALCHBBNSA-N 1 3 307.482 2.194 20 0 DEADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](C)F ZINC001490976880 1083980580 /nfs/dbraw/zinc/98/05/80/1083980580.db2.gz LJEACHYKUSZKKZ-HNSVSWJLSA-N 1 3 313.461 2.188 20 0 DEADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](C)F ZINC001490976880 1083980585 /nfs/dbraw/zinc/98/05/85/1083980585.db2.gz LJEACHYKUSZKKZ-HNSVSWJLSA-N 1 3 313.461 2.188 20 0 DEADHO CCCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001490981268 1083984896 /nfs/dbraw/zinc/98/48/96/1083984896.db2.gz HZZVKCCLBBAXCR-WBVHZDCISA-N 1 3 318.465 2.455 20 0 DEADHO CCCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001490981268 1083984904 /nfs/dbraw/zinc/98/49/04/1083984904.db2.gz HZZVKCCLBBAXCR-WBVHZDCISA-N 1 3 318.465 2.455 20 0 DEADHO CCCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001490981261 1083985780 /nfs/dbraw/zinc/98/57/80/1083985780.db2.gz HZZVKCCLBBAXCR-DOTOQJQBSA-N 1 3 318.465 2.455 20 0 DEADHO CCCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001490981261 1083985787 /nfs/dbraw/zinc/98/57/87/1083985787.db2.gz HZZVKCCLBBAXCR-DOTOQJQBSA-N 1 3 318.465 2.455 20 0 DEADHO CCCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001490981266 1083986252 /nfs/dbraw/zinc/98/62/52/1083986252.db2.gz HZZVKCCLBBAXCR-RDJZCZTQSA-N 1 3 318.465 2.455 20 0 DEADHO CCCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001490981266 1083986261 /nfs/dbraw/zinc/98/62/61/1083986261.db2.gz HZZVKCCLBBAXCR-RDJZCZTQSA-N 1 3 318.465 2.455 20 0 DEADHO Cc1cccc(Cl)c1CN[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001491050727 1084033036 /nfs/dbraw/zinc/03/30/36/1084033036.db2.gz MUBNBADAWZERSG-OKILXGFUSA-N 1 3 323.868 2.337 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CCC2CC2)C1)N(C)C ZINC001491109552 1084083145 /nfs/dbraw/zinc/08/31/45/1084083145.db2.gz JFTLPQHHXWQSBP-IRXDYDNUSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CCC2CC2)C1)N(C)C ZINC001491109552 1084083157 /nfs/dbraw/zinc/08/31/57/1084083157.db2.gz JFTLPQHHXWQSBP-IRXDYDNUSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+](CCC2CC2)C1)N(C)C ZINC001491109553 1084083268 /nfs/dbraw/zinc/08/32/68/1084083268.db2.gz JFTLPQHHXWQSBP-SJORKVTESA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CCC2CC2)C1)N(C)C ZINC001491109553 1084083275 /nfs/dbraw/zinc/08/32/75/1084083275.db2.gz JFTLPQHHXWQSBP-SJORKVTESA-N 1 3 309.498 2.201 20 0 DEADHO Cc1ccnc(N2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)c1 ZINC001277679580 1084092783 /nfs/dbraw/zinc/09/27/83/1084092783.db2.gz FYNYAVOFFJFMPP-SFHVURJKSA-N 1 3 302.466 2.244 20 0 DEADHO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc2c(c1)COC21CNC1 ZINC001168602745 1084128694 /nfs/dbraw/zinc/12/86/94/1084128694.db2.gz XVOZOCKPIWGEAY-IRXDYDNUSA-N 1 3 301.434 2.300 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])c1 ZINC001649112062 1084132560 /nfs/dbraw/zinc/13/25/60/1084132560.db2.gz RGPAWVGHMGFYEQ-SJLPKXTDSA-N 1 3 301.434 2.092 20 0 DEADHO CCCCCCN(C)CC(=O)NCCC[NH2+]Cc1ocnc1C ZINC001168606097 1084137811 /nfs/dbraw/zinc/13/78/11/1084137811.db2.gz BXRDPZKAZZYLNP-UHFFFAOYSA-N 1 3 324.469 2.091 20 0 DEADHO CCN(C(=O)[C@@H]1CC12CN(CCC1CC[NH+](C)CC1)C2)C(C)C ZINC001277839637 1084169897 /nfs/dbraw/zinc/16/98/97/1084169897.db2.gz WJKJUKXIERKSCO-KRWDZBQOSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)=CC[NH2+]C[C@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001491265523 1084192996 /nfs/dbraw/zinc/19/29/96/1084192996.db2.gz YQGSOHYWCVJERP-IAGOWNOFSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)[C@H](C(=O)N(C)[C@@H](C[NH2+]C/C=C\Cl)C1CC1)N(C)C ZINC001485832576 1084195144 /nfs/dbraw/zinc/19/51/44/1084195144.db2.gz OICVIHNZSWVJLL-XDHNQJSPSA-N 1 3 315.889 2.152 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001491294134 1084218853 /nfs/dbraw/zinc/21/88/53/1084218853.db2.gz BHIJOEJBPVYLPA-WBVHZDCISA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001491294134 1084218860 /nfs/dbraw/zinc/21/88/60/1084218860.db2.gz BHIJOEJBPVYLPA-WBVHZDCISA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)(C)OC(=O)NCCCCN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234990431 1084261174 /nfs/dbraw/zinc/26/11/74/1084261174.db2.gz DIOPLGJCHXPFBC-KRWDZBQOSA-N 1 3 311.470 2.367 20 0 DEADHO Cc1cc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)cc(C)c1OCCO ZINC001235355003 1084403370 /nfs/dbraw/zinc/40/33/70/1084403370.db2.gz NZTUCSBFCQIQIM-MSOLQXFVSA-N 1 3 318.461 2.058 20 0 DEADHO Cc1cc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)cc(C)c1OCCO ZINC001235355003 1084403377 /nfs/dbraw/zinc/40/33/77/1084403377.db2.gz NZTUCSBFCQIQIM-MSOLQXFVSA-N 1 3 318.461 2.058 20 0 DEADHO [NH3+]CCCCN1CCN(Cc2ccncc2)c2ncccc2C1 ZINC001235601084 1084475246 /nfs/dbraw/zinc/47/52/46/1084475246.db2.gz JTGQDMUVIUHPEL-UHFFFAOYSA-N 1 3 311.433 2.038 20 0 DEADHO COc1cc(C)c(CN2C[C@H]3COC[C@@H](C2)C3[NH3+])c(C)c1C ZINC001235992520 1084583606 /nfs/dbraw/zinc/58/36/06/1084583606.db2.gz DCEGBMIRSODFAC-MVVMVCHASA-N 1 3 304.434 2.026 20 0 DEADHO CC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C12CCC2 ZINC001078626666 1084771275 /nfs/dbraw/zinc/77/12/75/1084771275.db2.gz SXEXHELJJZYHAI-CABCVRRESA-N 1 3 307.482 2.288 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CCC1 ZINC000960866064 1085488000 /nfs/dbraw/zinc/48/80/00/1085488000.db2.gz RLFFIBXROQJJHM-RDJZCZTQSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC1 ZINC000960866064 1085488003 /nfs/dbraw/zinc/48/80/03/1085488003.db2.gz RLFFIBXROQJJHM-RDJZCZTQSA-N 1 3 307.482 2.194 20 0 DEADHO CC1CCN(CC(=O)N2CCC[C@H]2C[N@H+](C)CC2CCC2)CC1 ZINC000960939989 1085514487 /nfs/dbraw/zinc/51/44/87/1085514487.db2.gz LWBLVKZXOJWMLS-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CC1CCN(CC(=O)N2CCC[C@H]2C[N@@H+](C)CC2CCC2)CC1 ZINC000960939989 1085514492 /nfs/dbraw/zinc/51/44/92/1085514492.db2.gz LWBLVKZXOJWMLS-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961229140 1085646328 /nfs/dbraw/zinc/64/63/28/1085646328.db2.gz HOPQFFPKXJVKDK-SJORKVTESA-N 1 3 321.509 2.299 20 0 DEADHO CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961229140 1085646341 /nfs/dbraw/zinc/64/63/41/1085646341.db2.gz HOPQFFPKXJVKDK-SJORKVTESA-N 1 3 321.509 2.299 20 0 DEADHO CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC000965932861 1085699522 /nfs/dbraw/zinc/69/95/22/1085699522.db2.gz APAPWJHFOPYIBL-HVEGKCCWSA-N 1 3 307.482 2.288 20 0 DEADHO CCC[NH2+]C1CC2(CC(NC(=O)CN3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC000965932941 1085701560 /nfs/dbraw/zinc/70/15/60/1085701560.db2.gz GBKPBPXLUQZSLL-RSOWUBFDSA-N 1 3 307.482 2.286 20 0 DEADHO CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC000961373575 1085710572 /nfs/dbraw/zinc/71/05/72/1085710572.db2.gz HWIJUFTZZGZOJM-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CCC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC000961373575 1085710579 /nfs/dbraw/zinc/71/05/79/1085710579.db2.gz HWIJUFTZZGZOJM-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CN1C[C@]23C[N@H+](CCCc4cncn4C)C[C@@]2(C1)CCCC3 ZINC001413098171 1085926750 /nfs/dbraw/zinc/92/67/50/1085926750.db2.gz PJQSBNCGWHWOCI-HDICACEKSA-N 1 3 302.466 2.161 20 0 DEADHO CN1C[C@]23C[N@@H+](CCCc4cncn4C)C[C@@]2(C1)CCCC3 ZINC001413098171 1085926758 /nfs/dbraw/zinc/92/67/58/1085926758.db2.gz PJQSBNCGWHWOCI-HDICACEKSA-N 1 3 302.466 2.161 20 0 DEADHO Cn1cncc1CCCN1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001413098171 1085926769 /nfs/dbraw/zinc/92/67/69/1085926769.db2.gz PJQSBNCGWHWOCI-HDICACEKSA-N 1 3 302.466 2.161 20 0 DEADHO Cn1cncc1CCCN1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001413098171 1085926776 /nfs/dbraw/zinc/92/67/76/1085926776.db2.gz PJQSBNCGWHWOCI-HDICACEKSA-N 1 3 302.466 2.161 20 0 DEADHO C[C@H]1CCN(CC(=O)NC2CC(C[NH2+]CC3CCCCC3)C2)C1 ZINC000962309930 1086062414 /nfs/dbraw/zinc/06/24/14/1086062414.db2.gz QLRJQYBSVRTGNR-ZLPCBKJTSA-N 1 3 321.509 2.393 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]CC=C(Cl)Cl)N(C)C ZINC001273130639 1086299284 /nfs/dbraw/zinc/29/92/84/1086299284.db2.gz BJRYXMSVSSUJKO-WCQYABFASA-N 1 3 324.296 2.376 20 0 DEADHO CCC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)CN(CC)CC)[C@@H]2C1 ZINC001114997336 1086526029 /nfs/dbraw/zinc/52/60/29/1086526029.db2.gz JMQRXQXFYKKEPN-ABMDGXBWSA-N 1 3 307.482 2.121 20 0 DEADHO CCC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)CN(CC)CC)[C@@H]2C1 ZINC001114997336 1086526033 /nfs/dbraw/zinc/52/60/33/1086526033.db2.gz JMQRXQXFYKKEPN-ABMDGXBWSA-N 1 3 307.482 2.121 20 0 DEADHO CCC[NH+]1CCC2(CCN(C(=O)CN3CC[C@@H](C)C3)CC2)CC1 ZINC000957605908 1088453432 /nfs/dbraw/zinc/45/34/32/1088453432.db2.gz PEVIOTOUSSBIQF-QGZVFWFLSA-N 1 3 321.509 2.443 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC2(CC1)CC[NH+](CCCF)CC2 ZINC000957613380 1088459620 /nfs/dbraw/zinc/45/96/20/1088459620.db2.gz XDYPSMRXQCTSDC-UHFFFAOYSA-N 1 3 322.428 2.016 20 0 DEADHO CC(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001080038914 1088593354 /nfs/dbraw/zinc/59/33/54/1088593354.db2.gz RHGANNZJXQGVFE-HZPDHXFCSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001080038914 1088593378 /nfs/dbraw/zinc/59/33/78/1088593378.db2.gz RHGANNZJXQGVFE-HZPDHXFCSA-N 1 3 307.482 2.097 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC(C)C)C[C@@H]2C1 ZINC001410183428 1090387525 /nfs/dbraw/zinc/38/75/25/1090387525.db2.gz LOFWDAGQCWYCKV-YESZJQIVSA-N 1 3 309.498 2.201 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC(C)C)C[C@@H]2C1 ZINC001410183428 1090387532 /nfs/dbraw/zinc/38/75/32/1090387532.db2.gz LOFWDAGQCWYCKV-YESZJQIVSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(C)(C)N1CCCCC1 ZINC001412443097 1091412908 /nfs/dbraw/zinc/41/29/08/1091412908.db2.gz DLQIQKSKQIPGND-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(C)(C)N1CCCCC1 ZINC001412443097 1091412911 /nfs/dbraw/zinc/41/29/11/1091412911.db2.gz DLQIQKSKQIPGND-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](C[NH2+]CCC1=CCCCC1)NC(=O)C1(N(C)C)CCC1 ZINC001274787235 1091415725 /nfs/dbraw/zinc/41/57/25/1091415725.db2.gz HFHPEYBQVWPVHE-OAHLLOKOSA-N 1 3 307.482 2.456 20 0 DEADHO CC(C)[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@@H]1C ZINC001415224712 1091454278 /nfs/dbraw/zinc/45/42/78/1091454278.db2.gz BFXGJPGJNNNCCS-IRXDYDNUSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[NH+]1CCC([C@H](C)NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001411238232 1091455328 /nfs/dbraw/zinc/45/53/28/1091455328.db2.gz USRYURMJLYQEDC-HNNXBMFYSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@H]1C ZINC001415224697 1091455420 /nfs/dbraw/zinc/45/54/20/1091455420.db2.gz BFXGJPGJNNNCCS-IAGOWNOFSA-N 1 3 309.498 2.201 20 0 DEADHO CN1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC001274878244 1091459194 /nfs/dbraw/zinc/45/91/94/1091459194.db2.gz VKSMTXBFLSYIOM-ROUUACIJSA-N 1 3 313.445 2.201 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C1CC[NH+](CC2CCC2)CC1 ZINC001411263804 1091487356 /nfs/dbraw/zinc/48/73/56/1091487356.db2.gz OGKUECCACHWSNI-ZDUSSCGKSA-N 1 3 318.465 2.277 20 0 DEADHO CCCCCC[NH+]1CCC2(CCN(CC(=O)N(C)C)C2)CC1 ZINC001275125593 1091569306 /nfs/dbraw/zinc/56/93/06/1091569306.db2.gz MGQGXMFAPWEGGQ-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NC1CC(C[NH2+]C/C=C/Cl)C1 ZINC001275331675 1091675601 /nfs/dbraw/zinc/67/56/01/1091675601.db2.gz OQINMDVBZVYAHB-HBXBYPHQSA-N 1 3 313.873 2.098 20 0 DEADHO CCC[C@H](COC)N(CCC(=O)OCC)[C@@H](C)CC[NH2+]C ZINC001246889443 1091760344 /nfs/dbraw/zinc/76/03/44/1091760344.db2.gz DRNHOUIFRDNEQZ-LSDHHAIUSA-N 1 3 302.459 2.055 20 0 DEADHO COc1cc(C)ccc1CN1CC[C@H]2[C@@H]1CC[N@@H+]2CCN(C)C ZINC001276294823 1091768650 /nfs/dbraw/zinc/76/86/50/1091768650.db2.gz WPRLOFKFLZRSAL-ROUUACIJSA-N 1 3 317.477 2.214 20 0 DEADHO COc1cc(C)ccc1CN1CC[C@H]2[C@@H]1CC[N@H+]2CCN(C)C ZINC001276294823 1091768658 /nfs/dbraw/zinc/76/86/58/1091768658.db2.gz WPRLOFKFLZRSAL-ROUUACIJSA-N 1 3 317.477 2.214 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N(C)[C@H]1CCC[N@H+](CC2CC2)CC1 ZINC000948775558 1091929273 /nfs/dbraw/zinc/92/92/73/1091929273.db2.gz LHTQDKHQUPLLMI-WBVHZDCISA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N(C)[C@H]1CCC[N@@H+](CC2CC2)CC1 ZINC000948775558 1091929288 /nfs/dbraw/zinc/92/92/88/1091929288.db2.gz LHTQDKHQUPLLMI-WBVHZDCISA-N 1 3 307.482 2.194 20 0 DEADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000948813184 1091951429 /nfs/dbraw/zinc/95/14/29/1091951429.db2.gz WDPUJIKMUPJDMM-INIZCTEOSA-N 1 3 304.438 2.065 20 0 DEADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000948813184 1091951437 /nfs/dbraw/zinc/95/14/37/1091951437.db2.gz WDPUJIKMUPJDMM-INIZCTEOSA-N 1 3 304.438 2.065 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001488828767 1092789985 /nfs/dbraw/zinc/78/99/85/1092789985.db2.gz NSRVNAQXYAHJFH-YHUYYLMFSA-N 1 3 313.461 2.092 20 0 DEADHO CC[C@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001489237922 1093000135 /nfs/dbraw/zinc/00/01/35/1093000135.db2.gz CBKBVFBLJAUVEN-LSDHHAIUSA-N 1 3 306.454 2.359 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1C/C=C/c1ccccc1 ZINC001489286958 1093004533 /nfs/dbraw/zinc/00/45/33/1093004533.db2.gz NEDROWHRGMKENL-XMIMXHRVSA-N 1 3 315.461 2.231 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[N@H+](C)CCC1CC1 ZINC001489333426 1093025114 /nfs/dbraw/zinc/02/51/14/1093025114.db2.gz NVLGGQZLJBKURE-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[N@@H+](C)CCC1CC1 ZINC001489333426 1093025119 /nfs/dbraw/zinc/02/51/19/1093025119.db2.gz NVLGGQZLJBKURE-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO Cc1sccc1CN1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001274074262 1093790080 /nfs/dbraw/zinc/79/00/80/1093790080.db2.gz UKVMSUOAEXQIQZ-KRWDZBQOSA-N 1 3 321.490 2.185 20 0 DEADHO Nc1ccc2c(c1)CN(Cc1cccc(N3CC[NH2+]CC3)c1)CC2 ZINC001236232397 1138341826 /nfs/dbraw/zinc/34/18/26/1138341826.db2.gz NTJWYNFCGYTVQE-UHFFFAOYSA-N 1 3 322.456 2.237 20 0 DEADHO Clc1cccc2ncc(CN3C[C@@H]4CC[NH2+]CC[C@@H]4C3)n21 ZINC001236320899 1138351010 /nfs/dbraw/zinc/35/10/10/1138351010.db2.gz LXNBYJQCIHADAF-BETUJISGSA-N 1 3 304.825 2.419 20 0 DEADHO CCCN(CCC[NH+](C)C)Cc1cccc(-n2cncn2)c1 ZINC001236889323 1138450299 /nfs/dbraw/zinc/45/02/99/1138450299.db2.gz KLSAKVZNAAQRQR-UHFFFAOYSA-N 1 3 301.438 2.431 20 0 DEADHO c1ccc2c(c1)NCCC21CC[NH+](CC[C@H]2CNCCO2)CC1 ZINC001237319205 1138581324 /nfs/dbraw/zinc/58/13/24/1138581324.db2.gz MGLNVDXLJQCRLG-INIZCTEOSA-N 1 3 315.461 2.214 20 0 DEADHO O=C(NC[C@H]1CCC2(CCNCC2)[NH2+]1)Nc1ccccc1Cl ZINC001239218334 1138990324 /nfs/dbraw/zinc/99/03/24/1138990324.db2.gz YWEFWAIVVRPQCS-GFCCVEGCSA-N 1 3 322.840 2.336 20 0 DEADHO O=C(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)Oc1ccc(Cl)cc1 ZINC001239319756 1139020145 /nfs/dbraw/zinc/02/01/45/1139020145.db2.gz SDBAFHKNMREJII-ZDUSSCGKSA-N 1 3 323.824 2.303 20 0 DEADHO c1ccc(CN2CCC=C(c3ncc4c(n3)CC[NH2+]C4)C2)cc1 ZINC001240384717 1139352925 /nfs/dbraw/zinc/35/29/25/1139352925.db2.gz QJNUARHFGYUNAR-UHFFFAOYSA-N 1 3 306.413 2.412 20 0 DEADHO CN1CCC=C(c2cccc(NC(=O)NC3CC[NH2+]CC3)c2)C1 ZINC001241570279 1139829032 /nfs/dbraw/zinc/82/90/32/1139829032.db2.gz GOGCBXZPJFVUTI-UHFFFAOYSA-N 1 3 314.433 2.279 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001491682841 1140249306 /nfs/dbraw/zinc/24/93/06/1140249306.db2.gz PCBHDJPYYISSDH-AWEZNQCLSA-N 1 3 309.429 2.091 20 0 DEADHO CC[C@H](C(=O)N1CCC(CC[NH2+]C/C=C\Cl)CC1)N(C)C ZINC001318929453 1140468931 /nfs/dbraw/zinc/46/89/31/1140468931.db2.gz QCTGAKMNZMNVIY-HMZQOCAUSA-N 1 3 315.889 2.297 20 0 DEADHO CC[C@H](C(=O)N1CCC(CC[NH2+]C/C=C/Cl)CC1)N(C)C ZINC001318929451 1140471104 /nfs/dbraw/zinc/47/11/04/1140471104.db2.gz QCTGAKMNZMNVIY-FUVBFXSKSA-N 1 3 315.889 2.297 20 0 DEADHO C[C@@H](C[NH2+]CCCc1ccsc1)N(C)C(=O)[C@H]1CCCN1C ZINC001319435587 1140574521 /nfs/dbraw/zinc/57/45/21/1140574521.db2.gz DEHQQWBUGAQPEI-GOEBONIOSA-N 1 3 323.506 2.211 20 0 DEADHO O[C@H](CNC[C@H]1CCC[NH2+]C1)COc1cccc2ccccc21 ZINC001245982410 1140841557 /nfs/dbraw/zinc/84/15/57/1140841557.db2.gz OYZIBYKHKDXTKT-DOTOQJQBSA-N 1 3 314.429 2.169 20 0 DEADHO CC[C@@H]([NH3+])CCNC[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001246000621 1140844287 /nfs/dbraw/zinc/84/42/87/1140844287.db2.gz LPHDHMAUCYNLIT-CVEARBPZSA-N 1 3 308.466 2.441 20 0 DEADHO O=C(c1ccc(Cl)cc1)N1CCC([NH2+]C2CCNCC2)CC1 ZINC001246073190 1140857194 /nfs/dbraw/zinc/85/71/94/1140857194.db2.gz QNLRHUMHFHVMTP-UHFFFAOYSA-N 1 3 321.852 2.286 20 0 DEADHO NC1(C[NH2+][C@@H]2CCN(Cc3ccccc3)C(=O)C2)CCCC1 ZINC001246076232 1140857890 /nfs/dbraw/zinc/85/78/90/1140857890.db2.gz NWXSNBKAQZQUQL-MRXNPFEDSA-N 1 3 301.434 2.039 20 0 DEADHO C[C@@H]1C[C@H](N[C@@H]2CCNC[C@@H]2F)CC[N@@H+]1Cc1ccccc1 ZINC001246087865 1140858727 /nfs/dbraw/zinc/85/87/27/1140858727.db2.gz QIUPHQFNXRLAEX-NRSFXHEJSA-N 1 3 305.441 2.329 20 0 DEADHO C[C@@H]1C[C@H](N[C@@H]2CCNC[C@@H]2F)CC[N@H+]1Cc1ccccc1 ZINC001246087865 1140858728 /nfs/dbraw/zinc/85/87/28/1140858728.db2.gz QIUPHQFNXRLAEX-NRSFXHEJSA-N 1 3 305.441 2.329 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H](CN[C@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001246100112 1140860860 /nfs/dbraw/zinc/86/08/60/1140860860.db2.gz NQKBCTJFNUEDRH-JZXOWHBKSA-N 1 3 315.461 2.126 20 0 DEADHO FC1(F)CNCC[C@@H]1CN[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246228682 1140875456 /nfs/dbraw/zinc/87/54/56/1140875456.db2.gz IUWZLYDLKFQMOU-KGLIPLIRSA-N 1 3 301.425 2.276 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001320605710 1140885231 /nfs/dbraw/zinc/88/52/31/1140885231.db2.gz DKZLSCLQMUPAHW-RHSMWYFYSA-N 1 3 323.456 2.459 20 0 DEADHO COc1cccc(CN2CCC([NH2+][C@H]3CCCNC3)CC2)c1 ZINC001246347485 1140886565 /nfs/dbraw/zinc/88/65/65/1140886565.db2.gz CETALTSOQLNSFI-KRWDZBQOSA-N 1 3 303.450 2.001 20 0 DEADHO Cc1ccc(F)cc1CN1CCC([NH2+][C@H]2CCCNC2)CC1 ZINC001246358428 1140888336 /nfs/dbraw/zinc/88/83/36/1140888336.db2.gz DWAQIUMWURYERR-SFHVURJKSA-N 1 3 305.441 2.440 20 0 DEADHO COc1ccc(CN2CCC([NH2+]C3CCNCC3)CC2)cc1F ZINC001246364870 1140888507 /nfs/dbraw/zinc/88/85/07/1140888507.db2.gz WPVPUCGUSGLDDD-UHFFFAOYSA-N 1 3 321.440 2.140 20 0 DEADHO O=C(N[C@H]1CC[C@H]([NH2+]C2CCNCC2)CC1)C1CCCCC1 ZINC001246449419 1140901295 /nfs/dbraw/zinc/90/12/95/1140901295.db2.gz VMSIQPZNQJXMSS-WKILWMFISA-N 1 3 307.482 2.336 20 0 DEADHO CCCCC(CCCC)[N@@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246630595 1141013260 /nfs/dbraw/zinc/01/32/60/1141013260.db2.gz UAQUFMVRCQTYDS-GOSISDBHSA-N 1 3 307.482 2.147 20 0 DEADHO CCCCC(CCCC)[N@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246630595 1141013270 /nfs/dbraw/zinc/01/32/70/1141013270.db2.gz UAQUFMVRCQTYDS-GOSISDBHSA-N 1 3 307.482 2.147 20 0 DEADHO CC[C@H]1[N@@H+](C2CCNCC2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246723969 1141046838 /nfs/dbraw/zinc/04/68/38/1141046838.db2.gz SDJFVWNAVOIROI-MJGOQNOKSA-N 1 3 319.493 2.384 20 0 DEADHO CC[C@H]1[N@H+](C2CCNCC2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246723969 1141046848 /nfs/dbraw/zinc/04/68/48/1141046848.db2.gz SDJFVWNAVOIROI-MJGOQNOKSA-N 1 3 319.493 2.384 20 0 DEADHO CC[C@H]1N(C2CC[NH2+]CC2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246723969 1141046857 /nfs/dbraw/zinc/04/68/57/1141046857.db2.gz SDJFVWNAVOIROI-MJGOQNOKSA-N 1 3 319.493 2.384 20 0 DEADHO CC(C)[C@@H](C(=O)NC/C=C/CNCc1ccsc1)[NH+](C)C ZINC001321108042 1141055177 /nfs/dbraw/zinc/05/51/77/1141055177.db2.gz QWCQTKSKEKCDKP-NFAHFFEMSA-N 1 3 309.479 2.096 20 0 DEADHO Clc1ccc([C@H]2CN(C3C[C@@H]4C=C[C@H](C3)[NH2+]4)CCN2)cc1 ZINC001246806973 1141068804 /nfs/dbraw/zinc/06/88/04/1141068804.db2.gz DXAALAXDBAFRRD-FCLJQHQZSA-N 1 3 303.837 2.345 20 0 DEADHO CCC[C@@H](COC)[N@H+](CCC(=O)OCC)[C@@H]1CCN[C@H](C)C1 ZINC001246893256 1141105004 /nfs/dbraw/zinc/10/50/04/1141105004.db2.gz VIIYTHGVMXMFND-OAGGEKHMSA-N 1 3 314.470 2.197 20 0 DEADHO CCC[C@@H](COC)[N@@H+](CCC(=O)OCC)[C@@H]1CCN[C@H](C)C1 ZINC001246893256 1141105034 /nfs/dbraw/zinc/10/50/34/1141105034.db2.gz VIIYTHGVMXMFND-OAGGEKHMSA-N 1 3 314.470 2.197 20 0 DEADHO CCC[C@@H](COC)N(CCC(=O)OCC)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246893256 1141105051 /nfs/dbraw/zinc/10/50/51/1141105051.db2.gz VIIYTHGVMXMFND-OAGGEKHMSA-N 1 3 314.470 2.197 20 0 DEADHO C[C@@H]1C[C@@H](N2CC[C@@]3(c4ccccc4OC3=O)C2(C)C)CC[NH2+]1 ZINC001246925823 1141124132 /nfs/dbraw/zinc/12/41/32/1141124132.db2.gz PSNBOWIVWGRKQQ-TYILLQQXSA-N 1 3 314.429 2.468 20 0 DEADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(c4ccccc4OC3=O)C2(C)C)CCN1 ZINC001246925823 1141124157 /nfs/dbraw/zinc/12/41/57/1141124157.db2.gz PSNBOWIVWGRKQQ-TYILLQQXSA-N 1 3 314.429 2.468 20 0 DEADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(c4ccccc4OC3=O)C2(C)C)CCN1 ZINC001246925823 1141124187 /nfs/dbraw/zinc/12/41/87/1141124187.db2.gz PSNBOWIVWGRKQQ-TYILLQQXSA-N 1 3 314.429 2.468 20 0 DEADHO CCOC(=O)N1CCC(C)(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)CC1 ZINC001474756488 1141126949 /nfs/dbraw/zinc/12/69/49/1141126949.db2.gz HDYKUVCLFCCSLV-BZUAXINKSA-N 1 3 323.481 2.175 20 0 DEADHO O=C(CN1CCCC1)NC/C=C/C[NH2+]Cc1ccc(CF)cc1 ZINC001321401520 1141227736 /nfs/dbraw/zinc/22/77/36/1141227736.db2.gz IQNASOIKICJXPO-OWOJBTEDSA-N 1 3 319.424 2.014 20 0 DEADHO CCCCc1ccc(-c2noc([C@H]3CNCC34C[NH2+]C4)n2)cc1 ZINC001247831602 1141544902 /nfs/dbraw/zinc/54/49/02/1141544902.db2.gz UOGNCZNXJDORGW-OAHLLOKOSA-N 1 3 312.417 2.356 20 0 DEADHO CC/C=C\CCN1CC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001323246221 1141832619 /nfs/dbraw/zinc/83/26/19/1141832619.db2.gz KUFOFKKYOWLIIZ-PPPANMTLSA-N 1 3 307.482 2.408 20 0 DEADHO CC/C=C\CCN1CC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001323246221 1141832621 /nfs/dbraw/zinc/83/26/21/1141832621.db2.gz KUFOFKKYOWLIIZ-PPPANMTLSA-N 1 3 307.482 2.408 20 0 DEADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCN2CCC2=CCCCC2)C1 ZINC001323335662 1141843247 /nfs/dbraw/zinc/84/32/47/1141843247.db2.gz NQSYUEGYYRNMLS-MSOLQXFVSA-N 1 3 319.493 2.409 20 0 DEADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CCN2CCC2=CCCCC2)C1 ZINC001323335662 1141843250 /nfs/dbraw/zinc/84/32/50/1141843250.db2.gz NQSYUEGYYRNMLS-MSOLQXFVSA-N 1 3 319.493 2.409 20 0 DEADHO CC/C=C\CC[NH2+]C[C@@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001324225889 1142035069 /nfs/dbraw/zinc/03/50/69/1142035069.db2.gz NTHSRZVSTJUXAC-UIZHIOIMSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)c1ccc(OC[C@@H](O)CNC[C@H]2CCC[N@H+](C)C2)cc1 ZINC001250772781 1142310790 /nfs/dbraw/zinc/31/07/90/1142310790.db2.gz SUBVLHPSUWKLQZ-AEFFLSMTSA-N 1 3 320.477 2.481 20 0 DEADHO CC(C)c1ccc(OC[C@@H](O)CNC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001250772781 1142310799 /nfs/dbraw/zinc/31/07/99/1142310799.db2.gz SUBVLHPSUWKLQZ-AEFFLSMTSA-N 1 3 320.477 2.481 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001278608086 1142338753 /nfs/dbraw/zinc/33/87/53/1142338753.db2.gz JFLWKADYAJLCHQ-QWHCGFSZSA-N 1 3 323.403 2.155 20 0 DEADHO CC1CCN(CCC[NH2+]C[C@H](O)COCc2ccccc2)CC1 ZINC001252298742 1142677685 /nfs/dbraw/zinc/67/76/85/1142677685.db2.gz PHVOBLPDQMHXEE-IBGZPJMESA-N 1 3 320.477 2.276 20 0 DEADHO CN(C)CCC[N@H+](C)C[C@@H](O)COc1cccc2ccccc21 ZINC001252372413 1142697193 /nfs/dbraw/zinc/69/71/93/1142697193.db2.gz JXIPFSIDSCWZNG-QGZVFWFLSA-N 1 3 316.445 2.463 20 0 DEADHO CN(C)CCC[N@@H+](C)C[C@@H](O)COc1cccc2ccccc21 ZINC001252372413 1142697198 /nfs/dbraw/zinc/69/71/98/1142697198.db2.gz JXIPFSIDSCWZNG-QGZVFWFLSA-N 1 3 316.445 2.463 20 0 DEADHO CCN(CC)C[C@H](O)C[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC001253207788 1142854013 /nfs/dbraw/zinc/85/40/13/1142854013.db2.gz JSKMHQBIOJRHKV-SJLPKXTDSA-N 1 3 306.450 2.439 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCNC[C@H](O)CC1(CO)CCCC1 ZINC001338447658 1142856408 /nfs/dbraw/zinc/85/64/08/1142856408.db2.gz OBWZUCTUVSEKKJ-DLBZAZTESA-N 1 3 312.498 2.144 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCNC[C@H](O)CC1(CO)CCCC1 ZINC001338447658 1142856409 /nfs/dbraw/zinc/85/64/09/1142856409.db2.gz OBWZUCTUVSEKKJ-DLBZAZTESA-N 1 3 312.498 2.144 20 0 DEADHO C[C@H]1CCCCN1CCC[NH2+]C[C@H](O)CC1(CO)CCCC1 ZINC001338447658 1142856410 /nfs/dbraw/zinc/85/64/10/1142856410.db2.gz OBWZUCTUVSEKKJ-DLBZAZTESA-N 1 3 312.498 2.144 20 0 DEADHO CCCCC[C@@H](O)C[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001253560730 1142880339 /nfs/dbraw/zinc/88/03/39/1142880339.db2.gz PJXMTULRTKLUIJ-GOSISDBHSA-N 1 3 312.498 2.408 20 0 DEADHO CCCCC[C@@H](O)CNC1CC[NH+](CC2CCOCC2)CC1 ZINC001253560730 1142880340 /nfs/dbraw/zinc/88/03/40/1142880340.db2.gz PJXMTULRTKLUIJ-GOSISDBHSA-N 1 3 312.498 2.408 20 0 DEADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C[C@H](O)C(C)(C)C)C2 ZINC001253723156 1142898131 /nfs/dbraw/zinc/89/81/31/1142898131.db2.gz DKAPYRDOKOUPDF-AOIWGVFYSA-N 1 3 324.509 2.074 20 0 DEADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C[C@H](O)C(C)(C)C)C2 ZINC001253723156 1142898133 /nfs/dbraw/zinc/89/81/33/1142898133.db2.gz DKAPYRDOKOUPDF-AOIWGVFYSA-N 1 3 324.509 2.074 20 0 DEADHO OC1(CN2CCC[C@H](F)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001254037028 1143029020 /nfs/dbraw/zinc/02/90/20/1143029020.db2.gz MWEIMPNIBBAKQK-KRWDZBQOSA-N 1 3 306.425 2.447 20 0 DEADHO OC1(C[N@@H+]2CCC3(CC3)C2)CCN(Cc2ccccc2)CC1 ZINC001254034905 1143030059 /nfs/dbraw/zinc/03/00/59/1143030059.db2.gz IQLJMAMLQVHXDS-UHFFFAOYSA-N 1 3 300.446 2.499 20 0 DEADHO OC1(C[N@H+]2CCC3(CC3)C2)CCN(Cc2ccccc2)CC1 ZINC001254034905 1143030070 /nfs/dbraw/zinc/03/00/70/1143030070.db2.gz IQLJMAMLQVHXDS-UHFFFAOYSA-N 1 3 300.446 2.499 20 0 DEADHO CN1CCC[C@H]([N@@H+]2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)CC1 ZINC001254517132 1143174804 /nfs/dbraw/zinc/17/48/04/1143174804.db2.gz SJUOPBDKZIJHTD-XQQFMLRXSA-N 1 3 312.351 2.198 20 0 DEADHO CN1CCC[C@H]([N@H+]2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)CC1 ZINC001254517132 1143174809 /nfs/dbraw/zinc/17/48/09/1143174809.db2.gz SJUOPBDKZIJHTD-XQQFMLRXSA-N 1 3 312.351 2.198 20 0 DEADHO C[C@H](CN)C[N@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001255229057 1143521044 /nfs/dbraw/zinc/52/10/44/1143521044.db2.gz JHHMOPMZCXFZAA-APIJFGDWSA-N 1 3 311.470 2.444 20 0 DEADHO C[C@H](CN)C[N@@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001255229057 1143521056 /nfs/dbraw/zinc/52/10/56/1143521056.db2.gz JHHMOPMZCXFZAA-APIJFGDWSA-N 1 3 311.470 2.444 20 0 DEADHO CC1(C)C(=O)NC[C@H]1N[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255397271 1143592644 /nfs/dbraw/zinc/59/26/44/1143592644.db2.gz NXVHIIARPAQBQY-IAGOWNOFSA-N 1 3 315.461 2.155 20 0 DEADHO CC1(C)C(=O)NC[C@H]1N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255397271 1143592658 /nfs/dbraw/zinc/59/26/58/1143592658.db2.gz NXVHIIARPAQBQY-IAGOWNOFSA-N 1 3 315.461 2.155 20 0 DEADHO CN1CC[C@@H](c2nnc([C@H]3CC[N@H+](Cc4ccccc4)C3)o2)C1 ZINC001255422858 1143613287 /nfs/dbraw/zinc/61/32/87/1143613287.db2.gz YMUODNNORBDXOJ-CVEARBPZSA-N 1 3 312.417 2.478 20 0 DEADHO CN1CC[C@@H](c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)C1 ZINC001255422858 1143613314 /nfs/dbraw/zinc/61/33/14/1143613314.db2.gz YMUODNNORBDXOJ-CVEARBPZSA-N 1 3 312.417 2.478 20 0 DEADHO CN1CC[C@@]2(CC[N@@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001255606514 1143778814 /nfs/dbraw/zinc/77/88/14/1143778814.db2.gz CRAVYSCMPPNKTD-RHSMWYFYSA-N 1 3 309.454 2.023 20 0 DEADHO CN1CC[C@@]2(CC[N@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001255606514 1143778828 /nfs/dbraw/zinc/77/88/28/1143778828.db2.gz CRAVYSCMPPNKTD-RHSMWYFYSA-N 1 3 309.454 2.023 20 0 DEADHO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)c1ccc(Nc2ccncc2)cc1 ZINC001342627419 1143827217 /nfs/dbraw/zinc/82/72/17/1143827217.db2.gz AVHALFUBNYJGTE-SOUVJXGZSA-N 1 3 324.428 2.458 20 0 DEADHO C[C@H]1C[C@@H](n2cc(CN)cnc2=N)CC[N@@H+]1Cc1ccccc1 ZINC001256530545 1143852433 /nfs/dbraw/zinc/85/24/33/1143852433.db2.gz CMZLCPMVUSBNAR-YOEHRIQHSA-N 1 3 311.433 2.047 20 0 DEADHO C[C@H]1C[C@@H](n2cc(CN)cnc2=N)CC[N@H+]1Cc1ccccc1 ZINC001256530545 1143852434 /nfs/dbraw/zinc/85/24/34/1143852434.db2.gz CMZLCPMVUSBNAR-YOEHRIQHSA-N 1 3 311.433 2.047 20 0 DEADHO C[C@@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)N3C)CC[C@@]1(O)C(F)(F)F ZINC001256622265 1143858023 /nfs/dbraw/zinc/85/80/23/1143858023.db2.gz GIFAJZASRIZLRR-YIPFDTCYSA-N 1 3 306.372 2.247 20 0 DEADHO C[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)N3C)CC[C@@]1(O)C(F)(F)F ZINC001256622265 1143858024 /nfs/dbraw/zinc/85/80/24/1143858024.db2.gz GIFAJZASRIZLRR-YIPFDTCYSA-N 1 3 306.372 2.247 20 0 DEADHO CCOc1ccnc(C[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256681198 1143861875 /nfs/dbraw/zinc/86/18/75/1143861875.db2.gz OABMRRRTBKBVPC-UHFFFAOYSA-N 1 3 319.449 2.213 20 0 DEADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCC(N3CCOCC3)CC1)C2 ZINC001256683356 1143862111 /nfs/dbraw/zinc/86/21/11/1143862111.db2.gz YGKNNOYXZKRBIK-SABGJMROSA-N 1 3 321.509 2.235 20 0 DEADHO Cc1ccc(C[N@@H+](C)C2CCC(N3CCOCC3)CC2)cn1 ZINC001256696638 1143863104 /nfs/dbraw/zinc/86/31/04/1143863104.db2.gz JJIBVTLULUNOSV-UHFFFAOYSA-N 1 3 303.450 2.465 20 0 DEADHO Cc1ccc(C[N@H+](C)C2CCC(N3CCOCC3)CC2)cn1 ZINC001256696638 1143863105 /nfs/dbraw/zinc/86/31/05/1143863105.db2.gz JJIBVTLULUNOSV-UHFFFAOYSA-N 1 3 303.450 2.465 20 0 DEADHO COC(=O)[C@@]1(C)CCCN1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256857956 1143871256 /nfs/dbraw/zinc/87/12/56/1143871256.db2.gz ZMUFCAJXVCFAMI-QGZVFWFLSA-N 1 3 303.406 2.078 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]CCCF)C(C)(C)C)N(C)C ZINC001279020672 1143933844 /nfs/dbraw/zinc/93/38/44/1143933844.db2.gz AAQGADAEYOESKJ-KBPBESRZSA-N 1 3 303.466 2.053 20 0 DEADHO C[C@@H](CN)C[N@H+](C)[C@@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258577589 1144021039 /nfs/dbraw/zinc/02/10/39/1144021039.db2.gz DLBYGNLZEWYYBG-DOTOQJQBSA-N 1 3 303.450 2.094 20 0 DEADHO C[C@@H](CN)C[N@@H+](C)[C@@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258577589 1144021041 /nfs/dbraw/zinc/02/10/41/1144021041.db2.gz DLBYGNLZEWYYBG-DOTOQJQBSA-N 1 3 303.450 2.094 20 0 DEADHO CCCN1CCC([N@@H+]2CC[C@H](Oc3ncc(C)cn3)C2)CC1 ZINC001258777713 1144041443 /nfs/dbraw/zinc/04/14/43/1144041443.db2.gz FJWJXWDZNWUVRJ-INIZCTEOSA-N 1 3 304.438 2.113 20 0 DEADHO CCCN1CCC([N@H+]2CC[C@H](Oc3ncc(C)cn3)C2)CC1 ZINC001258777713 1144041447 /nfs/dbraw/zinc/04/14/47/1144041447.db2.gz FJWJXWDZNWUVRJ-INIZCTEOSA-N 1 3 304.438 2.113 20 0 DEADHO CCCCC[NH2+][C@H]1CCC[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001266076048 1144803164 /nfs/dbraw/zinc/80/31/64/1144803164.db2.gz VGHHJKAEMSNRIO-GJZGRUSLSA-N 1 3 306.454 2.468 20 0 DEADHO CCC[NH2+]Cc1ccc(CNC(=O)[C@@H](CC)N(C)C)c(F)c1 ZINC001279722267 1144827658 /nfs/dbraw/zinc/82/76/58/1144827658.db2.gz FATMGZAMKOETPU-MRXNPFEDSA-N 1 3 309.429 2.282 20 0 DEADHO CC(C)=CCN1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001282832517 1145173967 /nfs/dbraw/zinc/17/39/67/1145173967.db2.gz KBLSMYMKDXDQJX-HZPDHXFCSA-N 1 3 309.498 2.365 20 0 DEADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC1=NOCC1 ZINC001364378292 1145205665 /nfs/dbraw/zinc/20/56/65/1145205665.db2.gz PQQIHNHQSZEOFF-UHFFFAOYSA-N 1 3 302.422 2.396 20 0 DEADHO CCCCC[N@@H+]1CCCC2(CN(C(=O)CN(C)CCC)C2)C1 ZINC001282978420 1145224066 /nfs/dbraw/zinc/22/40/66/1145224066.db2.gz WIOHBQAKXMXGOW-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CCCCC[N@H+]1CCCC2(CN(C(=O)CN(C)CCC)C2)C1 ZINC001282978420 1145224076 /nfs/dbraw/zinc/22/40/76/1145224076.db2.gz WIOHBQAKXMXGOW-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001364640215 1145395659 /nfs/dbraw/zinc/39/56/59/1145395659.db2.gz PGQKVOKJOGHWMN-MUIFIZLQSA-N 1 3 301.434 2.334 20 0 DEADHO CN1C[C@@H]2CC[C@@H]([NH2+]C3CC(CNC(=O)OC(C)(C)C)C3)[C@@H]2C1 ZINC001364736056 1145525165 /nfs/dbraw/zinc/52/51/65/1145525165.db2.gz XUJNXNPQFLJHBP-VQPKISINSA-N 1 3 323.481 2.220 20 0 DEADHO CC(C)N1CCN(C2CC[NH+](C[C@@]3(C)CCCCO3)CC2)CC1 ZINC001364925353 1145679752 /nfs/dbraw/zinc/67/97/52/1145679752.db2.gz XVWIWZRTSRBZIF-LJQANCHMSA-N 1 3 323.525 2.436 20 0 DEADHO CC[C@@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@H]1C ZINC001365417244 1145867710 /nfs/dbraw/zinc/86/77/10/1145867710.db2.gz XHWBMXRGPKSQLQ-HRCADAONSA-N 1 3 312.502 2.088 20 0 DEADHO CC[C@@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@H]1C ZINC001365417244 1145867712 /nfs/dbraw/zinc/86/77/12/1145867712.db2.gz XHWBMXRGPKSQLQ-HRCADAONSA-N 1 3 312.502 2.088 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)CC[N@H+](C)CC)CCN1CCC(F)(F)F ZINC001365864341 1146032529 /nfs/dbraw/zinc/03/25/29/1146032529.db2.gz FVJRCQCYXLKQOI-QWHCGFSZSA-N 1 3 323.403 2.250 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)CC[N@@H+](C)CC)CCN1CCC(F)(F)F ZINC001365864341 1146032531 /nfs/dbraw/zinc/03/25/31/1146032531.db2.gz FVJRCQCYXLKQOI-QWHCGFSZSA-N 1 3 323.403 2.250 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)C1CCC1 ZINC001365867165 1146033667 /nfs/dbraw/zinc/03/36/67/1146033667.db2.gz UEUBEVBQXWTMGE-WBVHZDCISA-N 1 3 309.498 2.343 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001365994448 1146997041 /nfs/dbraw/zinc/99/70/41/1146997041.db2.gz ISOBUZVUQFBNQG-INIZCTEOSA-N 1 3 323.506 2.397 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001365994448 1146997043 /nfs/dbraw/zinc/99/70/43/1146997043.db2.gz ISOBUZVUQFBNQG-INIZCTEOSA-N 1 3 323.506 2.397 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001366131292 1147070957 /nfs/dbraw/zinc/07/09/57/1147070957.db2.gz MULGPVXMYYOSHT-GWEOLNPGSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1)N(C)C ZINC001366161795 1147085377 /nfs/dbraw/zinc/08/53/77/1147085377.db2.gz ZSRJICSEKNRGAJ-ATLSCFEFSA-N 1 3 315.461 2.251 20 0 DEADHO CC(C)C[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001366171868 1147091838 /nfs/dbraw/zinc/09/18/38/1147091838.db2.gz PUJAYYPZRUBRJI-NXOAAHMSSA-N 1 3 311.514 2.492 20 0 DEADHO CN(CCNC(=O)CC[C@H]1CCC[N@@H+]1C)CCc1ccccc1 ZINC001492292704 1147221790 /nfs/dbraw/zinc/22/17/90/1147221790.db2.gz IQVZRAUZPOXINH-GOSISDBHSA-N 1 3 317.477 2.152 20 0 DEADHO CN(CCNC(=O)CC[C@H]1CCC[N@H+]1C)CCc1ccccc1 ZINC001492292704 1147221797 /nfs/dbraw/zinc/22/17/97/1147221797.db2.gz IQVZRAUZPOXINH-GOSISDBHSA-N 1 3 317.477 2.152 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001366343765 1147225055 /nfs/dbraw/zinc/22/50/55/1147225055.db2.gz GBIJCCHRGKXKCH-CQSZACIVSA-N 1 3 317.433 2.369 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@H+](CCc2cccs2)C1 ZINC001366711535 1147504733 /nfs/dbraw/zinc/50/47/33/1147504733.db2.gz MJYJZPOAADFWEI-HNNXBMFYSA-N 1 3 323.506 2.069 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@@H+](CCc2cccs2)C1 ZINC001366711535 1147504738 /nfs/dbraw/zinc/50/47/38/1147504738.db2.gz MJYJZPOAADFWEI-HNNXBMFYSA-N 1 3 323.506 2.069 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@H+](CCc2cccs2)C1 ZINC001366711538 1147505009 /nfs/dbraw/zinc/50/50/09/1147505009.db2.gz MJYJZPOAADFWEI-OAHLLOKOSA-N 1 3 323.506 2.069 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@@H+](CCc2cccs2)C1 ZINC001366711538 1147505018 /nfs/dbraw/zinc/50/50/18/1147505018.db2.gz MJYJZPOAADFWEI-OAHLLOKOSA-N 1 3 323.506 2.069 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccccc2C)C1 ZINC001367034718 1147636958 /nfs/dbraw/zinc/63/69/58/1147636958.db2.gz LCMRKBIOCYUKKK-QGZVFWFLSA-N 1 3 303.450 2.027 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccccc2C)C1 ZINC001367034718 1147636959 /nfs/dbraw/zinc/63/69/59/1147636959.db2.gz LCMRKBIOCYUKKK-QGZVFWFLSA-N 1 3 303.450 2.027 20 0 DEADHO CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1ccc(F)cc1 ZINC001367103345 1147650442 /nfs/dbraw/zinc/65/04/42/1147650442.db2.gz QGXQXOGLATUWFX-SJORKVTESA-N 1 3 323.456 2.396 20 0 DEADHO CC[C@H](F)CNC[C@@H](C)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001367370628 1147685019 /nfs/dbraw/zinc/68/50/19/1147685019.db2.gz YSSKUWVNRSXFBX-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO CCc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)Cc2c[nH]cn2)c1 ZINC001367383644 1147686960 /nfs/dbraw/zinc/68/69/60/1147686960.db2.gz FMLRDZJGOMQAOI-AWEZNQCLSA-N 1 3 314.433 2.151 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCN(C)Cc1ccccc1 ZINC001367551687 1147714954 /nfs/dbraw/zinc/71/49/54/1147714954.db2.gz NNYJRYVETXYKQA-CALCHBBNSA-N 1 3 317.477 2.450 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CCN(C)Cc1ccccc1 ZINC001367551687 1147714956 /nfs/dbraw/zinc/71/49/56/1147714956.db2.gz NNYJRYVETXYKQA-CALCHBBNSA-N 1 3 317.477 2.450 20 0 DEADHO CCc1cccc(C[NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001367716557 1147731801 /nfs/dbraw/zinc/73/18/01/1147731801.db2.gz ZJXLCZUDBRIAOK-OAHLLOKOSA-N 1 3 305.466 2.184 20 0 DEADHO CC(C)c1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CCCN2C)cc1 ZINC001317619417 1147733677 /nfs/dbraw/zinc/73/36/77/1147733677.db2.gz YWALFSLTWLBQTI-GOSISDBHSA-N 1 3 317.477 2.452 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+]CC1CC2(CCC2)C1 ZINC001317663016 1147740699 /nfs/dbraw/zinc/74/06/99/1147740699.db2.gz BLSYKWYHJYCNJB-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CCCCC[N@@H+]1CC[C@@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001317809056 1147754419 /nfs/dbraw/zinc/75/44/19/1147754419.db2.gz KRCZCHSJERATFE-OAHLLOKOSA-N 1 3 306.454 2.279 20 0 DEADHO CCCCC[N@H+]1CC[C@@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001317809056 1147754420 /nfs/dbraw/zinc/75/44/20/1147754420.db2.gz KRCZCHSJERATFE-OAHLLOKOSA-N 1 3 306.454 2.279 20 0 DEADHO CC/C=C/CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001317842069 1147756850 /nfs/dbraw/zinc/75/68/50/1147756850.db2.gz KXQNZAXTGNSMTK-IBHATUTGSA-N 1 3 309.498 2.463 20 0 DEADHO CC/C=C/CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001317842069 1147756852 /nfs/dbraw/zinc/75/68/52/1147756852.db2.gz KXQNZAXTGNSMTK-IBHATUTGSA-N 1 3 309.498 2.463 20 0 DEADHO CCCCCC[NH+]1CC(CNC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001318176062 1147791094 /nfs/dbraw/zinc/79/10/94/1147791094.db2.gz HRBTXOOIGXOURA-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC2CCCC2)C[C@H]1C ZINC001368111876 1148238847 /nfs/dbraw/zinc/23/88/47/1148238847.db2.gz XRNTWDCMHXZGNX-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO CN(C)C1(C(=O)NCC2(C)CC[NH+](CCCF)CC2)CCC1 ZINC001368202197 1148321456 /nfs/dbraw/zinc/32/14/56/1148321456.db2.gz QXOZLZLRWSVENN-UHFFFAOYSA-N 1 3 313.461 2.049 20 0 DEADHO Cc1nn2c(CNCC3CC[NH+](C4CC4)CC3)c(C)nc2s1 ZINC000278502738 214195274 /nfs/dbraw/zinc/19/52/74/214195274.db2.gz ODDDVLVQSLCTSO-UHFFFAOYSA-N 1 3 319.478 2.372 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccccc2CO)[C@H](C)C1 ZINC000151786452 282126340 /nfs/dbraw/zinc/12/63/40/282126340.db2.gz NOOBXJRFGVVGQY-APWZRJJASA-N 1 3 320.477 2.406 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000417843418 529612907 /nfs/dbraw/zinc/61/29/07/529612907.db2.gz VNPSSLDLDWRPEH-KBXCAEBGSA-N 1 3 317.477 2.391 20 0 DEADHO CCC(CC)(C[NH3+])C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000262361041 534935570 /nfs/dbraw/zinc/93/55/70/534935570.db2.gz WLITWYBHDKJJOK-UHFFFAOYSA-N 1 3 307.438 2.331 20 0 DEADHO CN(C)[C@H](CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])Cc1ccccc1 ZINC000345782606 282243862 /nfs/dbraw/zinc/24/38/62/282243862.db2.gz ZFFKXDSTVUJIEJ-JENIJYKNSA-N 1 3 317.477 2.183 20 0 DEADHO Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C1CCC(O)CC1 ZINC000095427045 185361886 /nfs/dbraw/zinc/36/18/86/185361886.db2.gz FXCGJBGIMRISKV-TVPLGVNVSA-N 1 3 318.461 2.261 20 0 DEADHO CN1CCN(CC[NH2+]C/C=C\c2ccc(F)cc2)CC1(C)C ZINC000441331483 529772519 /nfs/dbraw/zinc/77/25/19/529772519.db2.gz ODCYVUNRIAPODD-PLNGDYQASA-N 1 3 305.441 2.455 20 0 DEADHO CC[C@@H]1CN(C)CCCN1C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000614333004 362351607 /nfs/dbraw/zinc/35/16/07/362351607.db2.gz XVCZVSBLIVEABH-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO C[NH2+]CCC1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000418109049 529960578 /nfs/dbraw/zinc/96/05/78/529960578.db2.gz CEWUIGIIQVTQOA-KRWDZBQOSA-N 1 3 322.497 2.034 20 0 DEADHO CN(C)CCOc1ccc(CN2CCC([NH+](C)C)CC2)cc1 ZINC000091669368 539421295 /nfs/dbraw/zinc/42/12/95/539421295.db2.gz HDOGKFMUWTUNGO-UHFFFAOYSA-N 1 3 305.466 2.153 20 0 DEADHO COC[C@H]1CCC[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000093337430 539430824 /nfs/dbraw/zinc/43/08/24/539430824.db2.gz ASQBZCRPHVWTTA-KRWDZBQOSA-N 1 3 306.450 2.485 20 0 DEADHO COC[C@H]1CCC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000093337430 539430827 /nfs/dbraw/zinc/43/08/27/539430827.db2.gz ASQBZCRPHVWTTA-KRWDZBQOSA-N 1 3 306.450 2.485 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000615616721 362661055 /nfs/dbraw/zinc/66/10/55/362661055.db2.gz MYAUKPHEXRDYQY-IBGZPJMESA-N 1 3 315.461 2.306 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000615616721 362661061 /nfs/dbraw/zinc/66/10/61/362661061.db2.gz MYAUKPHEXRDYQY-IBGZPJMESA-N 1 3 315.461 2.306 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)C1CCC1 ZINC000127789852 539483446 /nfs/dbraw/zinc/48/34/46/539483446.db2.gz YIPGBPASQXKQKZ-RDJZCZTQSA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)C1CCC1 ZINC000127789852 539483452 /nfs/dbraw/zinc/48/34/52/539483452.db2.gz YIPGBPASQXKQKZ-RDJZCZTQSA-N 1 3 324.513 2.233 20 0 DEADHO CCOc1ccccc1N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000111824709 185639351 /nfs/dbraw/zinc/63/93/51/185639351.db2.gz QZXFCFTURGIRAE-UHFFFAOYSA-N 1 3 303.450 2.207 20 0 DEADHO CCCNC(=O)CCN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340193314 535049123 /nfs/dbraw/zinc/04/91/23/535049123.db2.gz YSLKBYWHSQRUGM-IAGOWNOFSA-N 1 3 303.450 2.328 20 0 DEADHO CCCNC(=O)CCN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340193314 535049125 /nfs/dbraw/zinc/04/91/25/535049125.db2.gz YSLKBYWHSQRUGM-IAGOWNOFSA-N 1 3 303.450 2.328 20 0 DEADHO COCC[C@H](C)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000269113229 282695030 /nfs/dbraw/zinc/69/50/30/282695030.db2.gz WCQVBQYZCKANCV-HNNXBMFYSA-N 1 3 306.450 2.158 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@@H](N)c1ccccc1 ZINC000237458435 186292077 /nfs/dbraw/zinc/29/20/77/186292077.db2.gz YWYYBWAPXBRTSU-RKTXRCNFSA-N 1 3 303.450 2.312 20 0 DEADHO C[C@H](NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[C@@H](c1ccccc1)N(C)C ZINC000418160254 299176704 /nfs/dbraw/zinc/17/67/04/299176704.db2.gz BEGQROYPPCBCJV-ABFRBSLYSA-N 1 3 318.465 2.104 20 0 DEADHO CN(C)[C@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2F)CC1 ZINC000277193638 213357707 /nfs/dbraw/zinc/35/77/07/213357707.db2.gz MABVAIJLJFPEBP-DLBZAZTESA-N 1 3 324.440 2.119 20 0 DEADHO CN(C)[C@H]1CCC[N@@H+](C[C@@H](O)COCc2ccccc2F)CC1 ZINC000277193638 213357709 /nfs/dbraw/zinc/35/77/09/213357709.db2.gz MABVAIJLJFPEBP-DLBZAZTESA-N 1 3 324.440 2.119 20 0 DEADHO O[C@H]1CCCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000305723568 539873505 /nfs/dbraw/zinc/87/35/05/539873505.db2.gz DYLMICSOVDOVIQ-KRWDZBQOSA-N 1 3 304.434 2.118 20 0 DEADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@H]1CCC[NH2+]1 ZINC000072547002 191189508 /nfs/dbraw/zinc/18/95/08/191189508.db2.gz MCYWCVOVWFCENF-ROUUACIJSA-N 1 3 315.461 2.109 20 0 DEADHO CC(=O)Nc1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339068539 539985822 /nfs/dbraw/zinc/98/58/22/539985822.db2.gz QZYLOIRNSICYLS-ROUUACIJSA-N 1 3 301.434 2.404 20 0 DEADHO CC(=O)Nc1ccc(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339068539 539985829 /nfs/dbraw/zinc/98/58/29/539985829.db2.gz QZYLOIRNSICYLS-ROUUACIJSA-N 1 3 301.434 2.404 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000357877226 535254118 /nfs/dbraw/zinc/25/41/18/535254118.db2.gz UPKUMLWMGYNDME-CRAIPNDOSA-N 1 3 305.466 2.444 20 0 DEADHO CCC[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051242145 354381926 /nfs/dbraw/zinc/38/19/26/354381926.db2.gz SQVAIKTWNOXLIK-AWEZNQCLSA-N 1 3 310.486 2.033 20 0 DEADHO CC(C)(CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)N1CCCCC1 ZINC000066174973 354703275 /nfs/dbraw/zinc/70/32/75/354703275.db2.gz TXPDFHIZOHPVHC-MRXNPFEDSA-N 1 3 322.497 2.131 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000067685945 354774226 /nfs/dbraw/zinc/77/42/26/354774226.db2.gz IITVBCPMHTWONR-MRXNPFEDSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000067685945 354774230 /nfs/dbraw/zinc/77/42/30/354774230.db2.gz IITVBCPMHTWONR-MRXNPFEDSA-N 1 3 324.513 2.280 20 0 DEADHO CC[NH+](CC)C[C@H](C)NC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000351710365 540059015 /nfs/dbraw/zinc/05/90/15/540059015.db2.gz PDWMTBUBFDJZPE-GJZGRUSLSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@H]1C[C@@H](CCNC(=O)C(C)(C)N)C[N@@H+]1Cc1ccccc1 ZINC000423908084 291053727 /nfs/dbraw/zinc/05/37/27/291053727.db2.gz SAXURUZMUOYFQN-GOEBONIOSA-N 1 3 303.450 2.141 20 0 DEADHO C[C@H]1C[C@@H](CCNC(=O)C(C)(C)N)C[N@H+]1Cc1ccccc1 ZINC000423908084 291053729 /nfs/dbraw/zinc/05/37/29/291053729.db2.gz SAXURUZMUOYFQN-GOEBONIOSA-N 1 3 303.450 2.141 20 0 DEADHO C[C@@H]([NH3+])CCC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000382699421 540124124 /nfs/dbraw/zinc/12/41/24/540124124.db2.gz LMUXFPTXZCFVFS-CVEARBPZSA-N 1 3 303.450 2.237 20 0 DEADHO CC[C@H](C(=O)N1CCC([NH2+]CCCN)CC1)c1ccccc1 ZINC000415120529 540158752 /nfs/dbraw/zinc/15/87/52/540158752.db2.gz YJDVYDOAKUCJTH-KRWDZBQOSA-N 1 3 303.450 2.110 20 0 DEADHO CC[NH+](CC)C[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000447333547 540186337 /nfs/dbraw/zinc/18/63/37/540186337.db2.gz NNAWLFHVHDUKJW-OAHLLOKOSA-N 1 3 324.469 2.083 20 0 DEADHO C[NH+](C)CC[C@@H](NC(=O)N[C@H]1CCN(CC2CC2)C1)C(C)(C)C ZINC000116566553 355775353 /nfs/dbraw/zinc/77/53/53/355775353.db2.gz QYJUTFUFCNGASE-JKSUJKDBSA-N 1 3 324.513 2.136 20 0 DEADHO CC[C@@H](N)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000130305975 355840923 /nfs/dbraw/zinc/84/09/23/355840923.db2.gz BXYUABUOUVWJHL-QGZVFWFLSA-N 1 3 303.450 2.272 20 0 DEADHO CCC1(CC)[C@H]([NH2+]C2CCN(CCN(C)C)CC2)C[C@@H]1OC ZINC000181468296 356082471 /nfs/dbraw/zinc/08/24/71/356082471.db2.gz GZMMQTNQVYLKGD-SJORKVTESA-N 1 3 311.514 2.196 20 0 DEADHO CC(C)C[C@@H]([NH3+])C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000236719003 356291481 /nfs/dbraw/zinc/29/14/81/356291481.db2.gz YTCKPTXIJMEGQC-ZIAGYGMSSA-N 1 3 309.479 2.375 20 0 DEADHO CN(C[C@H]1CCCN(C)C1)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237122476 356294295 /nfs/dbraw/zinc/29/42/95/356294295.db2.gz CDKJBNFGOWFPJY-DOTOQJQBSA-N 1 3 303.450 2.267 20 0 DEADHO CC(C)[NH+](CCNC(=O)[C@@H]1CNCc2ccccc21)C(C)C ZINC000316075479 356427885 /nfs/dbraw/zinc/42/78/85/356427885.db2.gz OXGQCVNUXHGKTO-QGZVFWFLSA-N 1 3 303.450 2.108 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000316705990 356430638 /nfs/dbraw/zinc/43/06/38/356430638.db2.gz CQQKNUHWGDBPLI-GVDBMIGSSA-N 1 3 306.450 2.115 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000316705990 356430639 /nfs/dbraw/zinc/43/06/39/356430639.db2.gz CQQKNUHWGDBPLI-GVDBMIGSSA-N 1 3 306.450 2.115 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CCCC[NH2+]1)c1ccsc1 ZINC000236828757 202030140 /nfs/dbraw/zinc/03/01/40/202030140.db2.gz PINAVPAZZQOIFV-GJZGRUSLSA-N 1 3 309.479 2.389 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@H]1CCCC[NH2+]1)c1ccsc1 ZINC000236835140 202031753 /nfs/dbraw/zinc/03/17/53/202031753.db2.gz PINAVPAZZQOIFV-CABCVRRESA-N 1 3 309.479 2.389 20 0 DEADHO CCC[C@H](N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236915802 202068908 /nfs/dbraw/zinc/06/89/08/202068908.db2.gz FAAVNJAPUKGAON-UAGQMJEPSA-N 1 3 303.450 2.283 20 0 DEADHO CCC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236915802 202068910 /nfs/dbraw/zinc/06/89/10/202068910.db2.gz FAAVNJAPUKGAON-UAGQMJEPSA-N 1 3 303.450 2.283 20 0 DEADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)CCC[NH3+] ZINC000236903331 202063776 /nfs/dbraw/zinc/06/37/76/202063776.db2.gz ILTCGXVIOCLSIA-KRWDZBQOSA-N 1 3 303.450 2.096 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000423770381 283199651 /nfs/dbraw/zinc/19/96/51/283199651.db2.gz DGZJONYPRJRZLE-INMHGKMJSA-N 1 3 303.450 2.011 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@@H]2CCCC[NH2+]2)N(C)C)cc1 ZINC000236980381 202106370 /nfs/dbraw/zinc/10/63/70/202106370.db2.gz ABUVEPRZTHZYBF-IRXDYDNUSA-N 1 3 303.450 2.110 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)N(C)C)cc1 ZINC000236980419 202106480 /nfs/dbraw/zinc/10/64/80/202106480.db2.gz PCXXZLJCECJMTA-KURKYZTESA-N 1 3 317.477 2.485 20 0 DEADHO CCc1ccc([C@H](CNC(=O)C2([NH3+])CCCC2)N(C)C)cc1 ZINC000236979756 202107000 /nfs/dbraw/zinc/10/70/00/202107000.db2.gz FNJWGMMSZXQCQP-INIZCTEOSA-N 1 3 303.450 2.239 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@]2(C)CCC[NH2+]C2)N(C)C)cc1 ZINC000236981132 202107528 /nfs/dbraw/zinc/10/75/28/202107528.db2.gz RSWGREFMZQBXAC-PKOBYXMFSA-N 1 3 317.477 2.358 20 0 DEADHO C[C@H](C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)[C@@H](N)c1ccccc1 ZINC000423786551 283202871 /nfs/dbraw/zinc/20/28/71/283202871.db2.gz UAEOMBQXUKFLAZ-XOYOTBSWSA-N 1 3 315.461 2.265 20 0 DEADHO C[C@H](C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)[C@@H](N)c1ccccc1 ZINC000423786551 283202872 /nfs/dbraw/zinc/20/28/72/283202872.db2.gz UAEOMBQXUKFLAZ-XOYOTBSWSA-N 1 3 315.461 2.265 20 0 DEADHO C[N@H+](CCCNC(=O)[C@H](CN)c1ccccc1)C1CCCCC1 ZINC000237071576 202143074 /nfs/dbraw/zinc/14/30/74/202143074.db2.gz JENVMMDKWSRFDN-GOSISDBHSA-N 1 3 317.477 2.500 20 0 DEADHO C[N@@H+](CCCNC(=O)[C@H](CN)c1ccccc1)C1CCCCC1 ZINC000237071576 202143076 /nfs/dbraw/zinc/14/30/76/202143076.db2.gz JENVMMDKWSRFDN-GOSISDBHSA-N 1 3 317.477 2.500 20 0 DEADHO CC(C)[NH2+]CC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000382763032 356677876 /nfs/dbraw/zinc/67/78/76/356677876.db2.gz NIOCEXDMRUCYBP-MRXNPFEDSA-N 1 3 303.450 2.107 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cccc(N2CCOCC2)c1 ZINC000578062631 356754706 /nfs/dbraw/zinc/75/47/06/356754706.db2.gz FIXQGYVUZIYAPH-AEFFLSMTSA-N 1 3 303.450 2.130 20 0 DEADHO CN(C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C)C1 ZINC000578451764 356819572 /nfs/dbraw/zinc/81/95/72/356819572.db2.gz OCWGMMWVPVSMHW-ZWKOTPCHSA-N 1 3 315.461 2.061 20 0 DEADHO CN(C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C)C1 ZINC000578451764 356819577 /nfs/dbraw/zinc/81/95/77/356819577.db2.gz OCWGMMWVPVSMHW-ZWKOTPCHSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CNCc2ccccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000579586296 356999147 /nfs/dbraw/zinc/99/91/47/356999147.db2.gz INIPFZPWRAWPPB-RKVPGOIHSA-N 1 3 315.461 2.110 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CNCc2ccccc21)[N@H+]1CCC[C@@H](C)C1 ZINC000579586296 356999149 /nfs/dbraw/zinc/99/91/49/356999149.db2.gz INIPFZPWRAWPPB-RKVPGOIHSA-N 1 3 315.461 2.110 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NCc1ccc(C[NH3+])cc1 ZINC000581129729 357135986 /nfs/dbraw/zinc/13/59/86/357135986.db2.gz BGFPOSKYZHKXTQ-INIZCTEOSA-N 1 3 318.465 2.065 20 0 DEADHO CC(C)(CNC(=O)CCCC[NH3+])N1CCc2ccccc2C1 ZINC000581723787 357238006 /nfs/dbraw/zinc/23/80/06/357238006.db2.gz XTEBKLQWOUKGQT-UHFFFAOYSA-N 1 3 303.450 2.069 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+]CC2(O)CCCCC2)cc1 ZINC000588179065 357400359 /nfs/dbraw/zinc/40/03/59/357400359.db2.gz ZBWIYILRIBRGHP-UHFFFAOYSA-N 1 3 306.450 2.412 20 0 DEADHO CCN(CC[NH3+])C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000626994480 366395144 /nfs/dbraw/zinc/39/51/44/366395144.db2.gz FPRCTSDVBDQSIG-RDJZCZTQSA-N 1 3 318.465 2.030 20 0 DEADHO C[NH+](C)C1(CNC(=O)N[C@@H]2CCN(CC3CC3)C2)CCCCC1 ZINC000594952875 358367232 /nfs/dbraw/zinc/36/72/32/358367232.db2.gz UDIGQQZYQICUAN-MRXNPFEDSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@H](CCN)[NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496266998 283390761 /nfs/dbraw/zinc/39/07/61/283390761.db2.gz WNNNNQKNKHBESL-OAHLLOKOSA-N 1 3 319.449 2.362 20 0 DEADHO COC(=O)[C@H]1C[C@@H](N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000597221111 358858983 /nfs/dbraw/zinc/85/89/83/358858983.db2.gz JPGRWPPMKXGOHC-XOYOTBSWSA-N 1 3 316.445 2.438 20 0 DEADHO COC(=O)[C@H]1C[C@@H](N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000597221111 358858986 /nfs/dbraw/zinc/85/89/86/358858986.db2.gz JPGRWPPMKXGOHC-XOYOTBSWSA-N 1 3 316.445 2.438 20 0 DEADHO C[C@@H]([NH3+])CNC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000667232414 540420903 /nfs/dbraw/zinc/42/09/03/540420903.db2.gz FSRPHNXFCIRNEY-CQSZACIVSA-N 1 3 320.437 2.020 20 0 DEADHO C[C@@H](NC(=O)Nc1cccc2c1CCNC2)C1CC[NH+](C)CC1 ZINC000667753045 540521091 /nfs/dbraw/zinc/52/10/91/540521091.db2.gz BKFPDKPZIZVGCW-CYBMUJFWSA-N 1 3 316.449 2.184 20 0 DEADHO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000600188978 359681680 /nfs/dbraw/zinc/68/16/80/359681680.db2.gz GCSJQRKNTZWXGF-INIZCTEOSA-N 1 3 320.433 2.060 20 0 DEADHO CCCn1nccc1CN(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000668159742 540600898 /nfs/dbraw/zinc/60/08/98/540600898.db2.gz FGOKFNVOCBRZOZ-QGZVFWFLSA-N 1 3 321.513 2.141 20 0 DEADHO CCCn1nccc1CN(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000668159742 540600901 /nfs/dbraw/zinc/60/09/01/540600901.db2.gz FGOKFNVOCBRZOZ-QGZVFWFLSA-N 1 3 321.513 2.141 20 0 DEADHO C[C@@H](CNC(=O)CCC1CC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000237533312 202274044 /nfs/dbraw/zinc/27/40/44/202274044.db2.gz RUUBBIFZSWSBIP-INIZCTEOSA-N 1 3 317.477 2.403 20 0 DEADHO NC[C@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000237810472 202361178 /nfs/dbraw/zinc/36/11/78/202361178.db2.gz NZERKLXXHZWMGP-SFHVURJKSA-N 1 3 315.461 2.252 20 0 DEADHO [NH3+][C@H]1CC[C@@H](C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000237866882 202373762 /nfs/dbraw/zinc/37/37/62/202373762.db2.gz FXUGUWSXVVVQTJ-CABCVRRESA-N 1 3 321.490 2.204 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000601243071 359979319 /nfs/dbraw/zinc/97/93/19/359979319.db2.gz IABNHRCMAPSYEW-JKSUJKDBSA-N 1 3 310.486 2.033 20 0 DEADHO C[NH+](C)CC1CCN(CCCn2c3ccccc3[nH]c2=O)CC1 ZINC000601526770 360062751 /nfs/dbraw/zinc/06/27/51/360062751.db2.gz DJIFFMXWPITVQA-UHFFFAOYSA-N 1 3 316.449 2.406 20 0 DEADHO C[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1ccc(OCCN(C)C)cc1 ZINC000189336773 200384162 /nfs/dbraw/zinc/38/41/62/200384162.db2.gz FTPKPOJRSDCMMB-ZOBUZTSGSA-N 1 3 306.450 2.439 20 0 DEADHO [NH3+]C[C@H]1CCCN1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000668661148 540705491 /nfs/dbraw/zinc/70/54/91/540705491.db2.gz QLHIABDHXMKJTL-KGLIPLIRSA-N 1 3 322.478 2.018 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)cc1 ZINC000668706244 540714328 /nfs/dbraw/zinc/71/43/28/540714328.db2.gz RAVXARJKXRBBQS-IRXDYDNUSA-N 1 3 304.434 2.095 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)cc1 ZINC000668706244 540714331 /nfs/dbraw/zinc/71/43/31/540714331.db2.gz RAVXARJKXRBBQS-IRXDYDNUSA-N 1 3 304.434 2.095 20 0 DEADHO [NH3+]CC[C@@H]1CCCN([C@@H]2CCCN(c3cccc(F)c3)C2=O)C1 ZINC000443073099 238102761 /nfs/dbraw/zinc/10/27/61/238102761.db2.gz OPZYVAHDTFWAJI-WMLDXEAASA-N 1 3 319.424 2.382 20 0 DEADHO CC[C@H]1CN(C(=O)NCc2cccc(CN(C)C)c2)CC[C@@H]1[NH3+] ZINC000669386819 540823649 /nfs/dbraw/zinc/82/36/49/540823649.db2.gz XYQYUKOUWHEPOW-IRXDYDNUSA-N 1 3 318.465 2.017 20 0 DEADHO CC[C@@H]1CN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)CC[C@@H]1[NH3+] ZINC000669515853 540850117 /nfs/dbraw/zinc/85/01/17/540850117.db2.gz GXNVTPAZWQXZIT-KBMXLJTQSA-N 1 3 303.450 2.298 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@@H]1CCC[NH2+]CC1)c1ccco1 ZINC000669584193 540869385 /nfs/dbraw/zinc/86/93/85/540869385.db2.gz ZDLIFDVTCJJKQJ-ZNMIVQPWSA-N 1 3 322.453 2.150 20 0 DEADHO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC1=CCN(C)CC1 ZINC000271909351 209315165 /nfs/dbraw/zinc/31/51/65/209315165.db2.gz XPZPDUGLWLCJKE-CYBMUJFWSA-N 1 3 305.397 2.394 20 0 DEADHO Cc1ccc([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)c(C)n1 ZINC000669618810 540874550 /nfs/dbraw/zinc/87/45/50/540874550.db2.gz UXJNQNZXZFZWJA-HNNXBMFYSA-N 1 3 304.482 2.375 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)C1 ZINC000521462275 283629056 /nfs/dbraw/zinc/62/90/56/283629056.db2.gz DPYBJIPVRSVVRW-FVQBIDKESA-N 1 3 302.422 2.152 20 0 DEADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCCn2cncn2)CC1 ZINC000628213249 366771019 /nfs/dbraw/zinc/77/10/19/366771019.db2.gz DCLFIBLIXMWCON-DOTOQJQBSA-N 1 3 305.470 2.301 20 0 DEADHO C[C@H]1CCCC[C@H]1N1CCC([NH2+]CCCn2cncn2)CC1 ZINC000628213249 366771020 /nfs/dbraw/zinc/77/10/20/366771020.db2.gz DCLFIBLIXMWCON-DOTOQJQBSA-N 1 3 305.470 2.301 20 0 DEADHO C=Cn1cc(C[NH2+][C@H]2CCN(CCCOCC)C[C@H]2C)cn1 ZINC000194314946 201200098 /nfs/dbraw/zinc/20/00/98/201200098.db2.gz OJTDPVUCCDBTQB-WBVHZDCISA-N 1 3 306.454 2.210 20 0 DEADHO OC1CCN(Cc2ccc(C[NH2+]C[C@@H]3CCC=CO3)cc2)CC1 ZINC000194172804 201191367 /nfs/dbraw/zinc/19/13/67/201191367.db2.gz BDYFGYGPFAFVSR-IBGZPJMESA-N 1 3 316.445 2.426 20 0 DEADHO Cn1cnc(CNCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000673601249 541122925 /nfs/dbraw/zinc/12/29/25/541122925.db2.gz NCMUINGPGWBICT-UHFFFAOYSA-N 1 3 304.463 2.483 20 0 DEADHO C[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000674087545 541182254 /nfs/dbraw/zinc/18/22/54/541182254.db2.gz ZZTGIPNXQBWMLV-HNNXBMFYSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000675176296 541296580 /nfs/dbraw/zinc/29/65/80/541296580.db2.gz FYUALPPOQAPKAP-JKSUJKDBSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@@H](C(=O)NCC1CC[NH+](CC2CC2)CC1)N1CCCCCC1 ZINC000620931706 364206444 /nfs/dbraw/zinc/20/64/44/364206444.db2.gz MIRRHMVSEJYHJC-INIZCTEOSA-N 1 3 321.509 2.489 20 0 DEADHO CCN1CC[C@H](C[NH2+][C@H]2CCN(C(C)=O)c3ccccc32)C1 ZINC000621749831 364535578 /nfs/dbraw/zinc/53/55/78/364535578.db2.gz DDOMVLDHZXEDKV-WBVHZDCISA-N 1 3 301.434 2.416 20 0 DEADHO CN(C)CCN(C)CCC[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000623087728 364879363 /nfs/dbraw/zinc/87/93/63/364879363.db2.gz FTSZBDWLHVYXNU-UHFFFAOYSA-N 1 3 321.494 2.111 20 0 DEADHO Cc1cccc(CCN(C)CC[N@H+](C)C2CCN(C)CC2)c1 ZINC000449326784 240370301 /nfs/dbraw/zinc/37/03/01/240370301.db2.gz ZCXCULDESICAJA-UHFFFAOYSA-N 1 3 303.494 2.495 20 0 DEADHO Cc1cccc(CCN(C)CC[N@@H+](C)C2CCN(C)CC2)c1 ZINC000449326784 240370309 /nfs/dbraw/zinc/37/03/09/240370309.db2.gz ZCXCULDESICAJA-UHFFFAOYSA-N 1 3 303.494 2.495 20 0 DEADHO C[NH+](C)C1(CNC(=O)NC[C@@H]2CCN2C2CCCC2)CCCC1 ZINC000623704693 365136133 /nfs/dbraw/zinc/13/61/33/365136133.db2.gz HNLAKOUYSXKJHV-INIZCTEOSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H](NC(=O)NC[C@@H]1CCN1C1CCCC1)C1CC[NH+](C)CC1 ZINC000623723790 365148407 /nfs/dbraw/zinc/14/84/07/365148407.db2.gz DUNHQBLVLBORGA-PBHICJAKSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000624123967 365297765 /nfs/dbraw/zinc/29/77/65/365297765.db2.gz VBNOTNQBAKLJCW-KGLIPLIRSA-N 1 3 317.433 2.400 20 0 DEADHO COc1ccc([C@@H]2CCN(C[C@@H]3CCC4(C[NH2+]C4)O3)C2)cc1F ZINC000629588630 367265713 /nfs/dbraw/zinc/26/57/13/367265713.db2.gz KDFGSEWNLXINFO-CABCVRRESA-N 1 3 320.408 2.145 20 0 DEADHO Cc1[nH]c2ccc(F)cc2c1CCNC[C@H](O)C[NH+]1CCCC1 ZINC000629603766 367271385 /nfs/dbraw/zinc/27/13/85/367271385.db2.gz PIXDTUBXSJMEPT-HNNXBMFYSA-N 1 3 319.424 2.204 20 0 DEADHO CCc1cccc2c(CCNC[C@@H](O)C[NH+]3CCCC3)c[nH]c21 ZINC000629559240 367250704 /nfs/dbraw/zinc/25/07/04/367250704.db2.gz AUBDMMQTQQQTIF-QGZVFWFLSA-N 1 3 315.461 2.319 20 0 DEADHO COc1ccc([C@H](C)CCNC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000629563971 367253566 /nfs/dbraw/zinc/25/35/66/367253566.db2.gz ITVAGQHJLNOWCC-NVXWUHKLSA-N 1 3 306.450 2.235 20 0 DEADHO COc1cccc(C(C)(C)CNC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000629570113 367256347 /nfs/dbraw/zinc/25/63/47/367256347.db2.gz IDCPSZUYMSFGJQ-MRXNPFEDSA-N 1 3 306.450 2.019 20 0 DEADHO O[C@H](CNCCCc1c[nH]c2ccc(F)cc12)C[NH+]1CCCC1 ZINC000629578597 367258185 /nfs/dbraw/zinc/25/81/85/367258185.db2.gz TYTFZBOQCLZTFS-MRXNPFEDSA-N 1 3 319.424 2.286 20 0 DEADHO CCOc1ccc(C[C@@H](C)CNC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000629580341 367260695 /nfs/dbraw/zinc/26/06/95/367260695.db2.gz RAPVPXJOLBEPLX-AEFFLSMTSA-N 1 3 320.477 2.310 20 0 DEADHO CN(CC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1)C1CCC1 ZINC000629993434 367426899 /nfs/dbraw/zinc/42/68/99/367426899.db2.gz MFJMCFMFJHXUBJ-MRXNPFEDSA-N 1 3 307.413 2.029 20 0 DEADHO CN(Cc1cccnc1N)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450641892 242056204 /nfs/dbraw/zinc/05/62/04/242056204.db2.gz OMNNKUKXKTXFQW-UHFFFAOYSA-N 1 3 311.433 2.407 20 0 DEADHO CC(C)[C@@H]1CNCCN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000630578045 367735088 /nfs/dbraw/zinc/73/50/88/367735088.db2.gz DZTFHUWNAFFDAI-INIZCTEOSA-N 1 3 304.438 2.210 20 0 DEADHO COc1ccc2c(c1)CC[C@@H]2NCCC[NH+]1CCC(O)CC1 ZINC000631571441 368291976 /nfs/dbraw/zinc/29/19/76/368291976.db2.gz FDVDPKLAOONNIM-SFHVURJKSA-N 1 3 304.434 2.119 20 0 DEADHO COc1ccc2c(c1)CC[C@H]2NCCC[NH+]1CCC(O)CC1 ZINC000631571440 368292132 /nfs/dbraw/zinc/29/21/32/368292132.db2.gz FDVDPKLAOONNIM-GOSISDBHSA-N 1 3 304.434 2.119 20 0 DEADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCCCC1)[C@H]1CCCCN1 ZINC000422765170 296118936 /nfs/dbraw/zinc/11/89/36/296118936.db2.gz QICFUZPMOUEGOE-IAGOWNOFSA-N 1 3 309.498 2.142 20 0 DEADHO C[C@H](Cc1cnn(C)c1)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000678143468 541684934 /nfs/dbraw/zinc/68/49/34/541684934.db2.gz GEZKQPUBQNZUFM-OAHLLOKOSA-N 1 3 316.449 2.081 20 0 DEADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCCN1C1CCCC1 ZINC000440112149 284064826 /nfs/dbraw/zinc/06/48/26/284064826.db2.gz XESAHURZTLTTSB-OIISXLGYSA-N 1 3 305.466 2.136 20 0 DEADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCCN1C1CCCC1 ZINC000440112149 284064828 /nfs/dbraw/zinc/06/48/28/284064828.db2.gz XESAHURZTLTTSB-OIISXLGYSA-N 1 3 305.466 2.136 20 0 DEADHO O=C(CCC1CC[NH2+]CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000261539851 203075681 /nfs/dbraw/zinc/07/56/81/203075681.db2.gz DFRFKNJIEVCKIQ-SFHVURJKSA-N 1 3 315.461 2.157 20 0 DEADHO O=C(CC[C@@H]1CCC[NH2+]1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000261617395 203080246 /nfs/dbraw/zinc/08/02/46/203080246.db2.gz BTCZTLGWEYPIMN-ROUUACIJSA-N 1 3 315.461 2.472 20 0 DEADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H]1CCC[NH2+]1 ZINC000261707160 203097852 /nfs/dbraw/zinc/09/78/52/203097852.db2.gz MCYWCVOVWFCENF-ZWKOTPCHSA-N 1 3 315.461 2.109 20 0 DEADHO Cc1ccc(NC(=O)CC[C@H]2CC[NH2+]C2)c(OCCN(C)C)c1 ZINC000261715408 203099478 /nfs/dbraw/zinc/09/94/78/203099478.db2.gz DTBRFWAFDHVQRA-HNNXBMFYSA-N 1 3 319.449 2.264 20 0 DEADHO C[NH2+][C@@H](C)CNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000261725566 203104114 /nfs/dbraw/zinc/10/41/14/203104114.db2.gz LDOXAIRQEPKISL-HOTGVXAUSA-N 1 3 317.477 2.054 20 0 DEADHO Cc1ccc([C@H](CNC(=O)CC[C@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000261736246 203104490 /nfs/dbraw/zinc/10/44/90/203104490.db2.gz GGXCXYBZTJCQLK-RDJZCZTQSA-N 1 3 303.450 2.104 20 0 DEADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000261737096 203106726 /nfs/dbraw/zinc/10/67/26/203106726.db2.gz LKYOCAVWTFOEQF-KSZLIROESA-N 1 3 315.461 2.457 20 0 DEADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000261793403 203118091 /nfs/dbraw/zinc/11/80/91/203118091.db2.gz QJMKSXUUOXUUIJ-RCCFBDPRSA-N 1 3 315.461 2.285 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H](N)Cc2ccccc2)C1 ZINC000262124359 203205652 /nfs/dbraw/zinc/20/56/52/203205652.db2.gz JETCXJWTGVRWAT-SJLPKXTDSA-N 1 3 317.477 2.185 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H](N)Cc2ccccc2)C1 ZINC000262124359 203205654 /nfs/dbraw/zinc/20/56/54/203205654.db2.gz JETCXJWTGVRWAT-SJLPKXTDSA-N 1 3 317.477 2.185 20 0 DEADHO CN(C)CCN(Cc1ccccc1F)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000262351635 203271266 /nfs/dbraw/zinc/27/12/66/203271266.db2.gz JEAAQUMFLFJRNR-GOEBONIOSA-N 1 3 321.440 2.233 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000262362786 203274404 /nfs/dbraw/zinc/27/44/04/203274404.db2.gz KOGFSRPLLFFRJN-RRQGHBQHSA-N 1 3 303.450 2.314 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)CN1Cc1ccccc1 ZINC000262417591 203289718 /nfs/dbraw/zinc/28/97/18/203289718.db2.gz QAWRCSJAOYIYMD-CIRFHOKZSA-N 1 3 315.461 2.154 20 0 DEADHO CC[NH+](CC)CCOc1ccc(NC(=O)[C@H](N)C(C)C)cc1 ZINC000262667644 203374201 /nfs/dbraw/zinc/37/42/01/203374201.db2.gz PNPJAGKDQVFWRH-MRXNPFEDSA-N 1 3 307.438 2.329 20 0 DEADHO Cc1nn2c(CNCCCC[N@@H+](C)C3CC3)c(C)nc2s1 ZINC000453602492 245213153 /nfs/dbraw/zinc/21/31/53/245213153.db2.gz WCQQFBFNAYAGKZ-UHFFFAOYSA-N 1 3 307.467 2.372 20 0 DEADHO Cc1nn2c(CNCCCC[N@H+](C)C3CC3)c(C)nc2s1 ZINC000453602492 245213161 /nfs/dbraw/zinc/21/31/61/245213161.db2.gz WCQQFBFNAYAGKZ-UHFFFAOYSA-N 1 3 307.467 2.372 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CC[C@H](C)O2)CC1 ZINC000453636730 245229268 /nfs/dbraw/zinc/22/92/68/245229268.db2.gz XHDYEEOFIYRKQE-WMZOPIPTSA-N 1 3 317.477 2.486 20 0 DEADHO COc1cccc([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000282482532 217028669 /nfs/dbraw/zinc/02/86/69/217028669.db2.gz WZLZLIBXNJFARX-OAHLLOKOSA-N 1 3 305.466 2.372 20 0 DEADHO C[C@H](C(=O)NC[C@H]1CCN1C1CCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000530024321 284319431 /nfs/dbraw/zinc/31/94/31/284319431.db2.gz LHJFDCSWLUTTDO-JYYAWHABSA-N 1 3 307.482 2.381 20 0 DEADHO C[C@H](C(=O)NC[C@H]1CCN1C1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000530024321 284319433 /nfs/dbraw/zinc/31/94/33/284319433.db2.gz LHJFDCSWLUTTDO-JYYAWHABSA-N 1 3 307.482 2.381 20 0 DEADHO O=C(Nc1ccc2c(c1)CNCC2)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000415879951 284327231 /nfs/dbraw/zinc/32/72/31/284327231.db2.gz DBXGWUNSFOFSEX-IRXDYDNUSA-N 1 3 314.433 2.081 20 0 DEADHO O=C(Nc1ccc2c(c1)CNCC2)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000415879951 284327232 /nfs/dbraw/zinc/32/72/32/284327232.db2.gz DBXGWUNSFOFSEX-IRXDYDNUSA-N 1 3 314.433 2.081 20 0 DEADHO CC[NH+]1CCC(NCCc2nc3cc(F)ccc3n2C)CC1 ZINC000271684457 209123719 /nfs/dbraw/zinc/12/37/19/209123719.db2.gz JAWSPVDTVYTPKS-UHFFFAOYSA-N 1 3 304.413 2.329 20 0 DEADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(CN(C)C)cc1 ZINC000288328929 220087736 /nfs/dbraw/zinc/08/77/36/220087736.db2.gz JGSRTMVYJQJDTR-QAPCUYQASA-N 1 3 315.461 2.447 20 0 DEADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(CN(C)C)cc1 ZINC000288328916 220088291 /nfs/dbraw/zinc/08/82/91/220088291.db2.gz JGSRTMVYJQJDTR-CRAIPNDOSA-N 1 3 315.461 2.447 20 0 DEADHO c1ccc(N2CCN(CCCC[NH2+]C3CSC3)CC2)cc1 ZINC000679627038 541883737 /nfs/dbraw/zinc/88/37/37/541883737.db2.gz FQROUKRQJHNUSN-UHFFFAOYSA-N 1 3 305.491 2.294 20 0 DEADHO O=C1[C@@H](N2CCC([C@@H]3CCC[NH2+]3)CC2)CCN1C1CCCCC1 ZINC000530226072 284378714 /nfs/dbraw/zinc/37/87/14/284378714.db2.gz VUAOPIMTTUBYQA-ROUUACIJSA-N 1 3 319.493 2.384 20 0 DEADHO Cc1nn(C(C)C)cc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530248176 284385469 /nfs/dbraw/zinc/38/54/69/284385469.db2.gz HVSKRPJEHIIJGE-GOSISDBHSA-N 1 3 320.481 2.363 20 0 DEADHO C[C@H](CCNC(=O)N[C@@H]1CCN(CC2CC2)C1)[NH+]1CCCCC1 ZINC000680281334 541977308 /nfs/dbraw/zinc/97/73/08/541977308.db2.gz HAJRERSRQJBLGV-NVXWUHKLSA-N 1 3 322.497 2.034 20 0 DEADHO CN(C)Cc1ccc(C(=O)NCC[N@H+](C)C2CCCC2)cc1 ZINC000104575290 194016958 /nfs/dbraw/zinc/01/69/58/194016958.db2.gz HCLUSKYPYREDTE-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO CN(C)Cc1ccc(C(=O)NCC[N@@H+](C)C2CCCC2)cc1 ZINC000104575290 194016960 /nfs/dbraw/zinc/01/69/60/194016960.db2.gz HCLUSKYPYREDTE-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414187936 296285049 /nfs/dbraw/zinc/28/50/49/296285049.db2.gz IPACYQGBZHHWFX-SJORKVTESA-N 1 3 323.525 2.197 20 0 DEADHO CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000077711883 284804982 /nfs/dbraw/zinc/80/49/82/284804982.db2.gz FHSKAINNSQNPFH-OAHLLOKOSA-N 1 3 320.481 2.278 20 0 DEADHO COCC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CCOCC1 ZINC000423133332 284822435 /nfs/dbraw/zinc/82/24/35/284822435.db2.gz QDMVOWMPQXBDGC-YESZJQIVSA-N 1 3 310.482 2.330 20 0 DEADHO C[C@@H]([NH2+]CCCC(=O)N(C)C)c1cccc(OCCN(C)C)c1 ZINC000268852004 207019513 /nfs/dbraw/zinc/01/95/13/207019513.db2.gz TVARODGLPIYAKQ-OAHLLOKOSA-N 1 3 321.465 2.146 20 0 DEADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H](O)CN1CCCC1 ZINC000268862876 207032773 /nfs/dbraw/zinc/03/27/73/207032773.db2.gz SKADJLLMCAZTLZ-YJBOKZPZSA-N 1 3 304.434 2.119 20 0 DEADHO CC(C)[NH+]1CCC(NC[C@H](CO)Cc2ccc(F)cc2)CC1 ZINC000268873247 207040852 /nfs/dbraw/zinc/04/08/52/207040852.db2.gz VXNJVEXDPOPFCN-MRXNPFEDSA-N 1 3 308.441 2.439 20 0 DEADHO CC[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc2c(c1)CCO2 ZINC000268879772 207048088 /nfs/dbraw/zinc/04/80/88/207048088.db2.gz XMJNMDRSAQEXLU-IRXDYDNUSA-N 1 3 304.434 2.119 20 0 DEADHO CO[C@@H]1CN(Cc2ccc(OCC[NH+](C)C)cc2)CC[C@H]1C ZINC000682245306 542281320 /nfs/dbraw/zinc/28/13/20/542281320.db2.gz HQINKPMVSBNHHZ-CRAIPNDOSA-N 1 3 306.450 2.484 20 0 DEADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2c(c1)CC(=O)N2C ZINC000268902860 207071031 /nfs/dbraw/zinc/07/10/31/207071031.db2.gz MQVOIAUBUZERLL-WWGRRREGSA-N 1 3 301.434 2.339 20 0 DEADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2c(c1)CC(=O)N2C ZINC000268902860 207071035 /nfs/dbraw/zinc/07/10/35/207071035.db2.gz MQVOIAUBUZERLL-WWGRRREGSA-N 1 3 301.434 2.339 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCN(C)CC[C@H]2C)C1 ZINC000355479228 207391964 /nfs/dbraw/zinc/39/19/64/207391964.db2.gz YTVPGSJVBHSBHX-IAGOWNOFSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCN(C)CC[C@H]2C)C1 ZINC000355479228 207391969 /nfs/dbraw/zinc/39/19/69/207391969.db2.gz YTVPGSJVBHSBHX-IAGOWNOFSA-N 1 3 324.513 2.234 20 0 DEADHO C[NH2+]CCCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000269252061 207393620 /nfs/dbraw/zinc/39/36/20/207393620.db2.gz HGAQFFWOSPCSSK-RDJZCZTQSA-N 1 3 303.450 2.013 20 0 DEADHO CC[C@H]([NH2+]Cc1ccnc(OCCN(C)C)c1)C1CCOCC1 ZINC000539047687 285067975 /nfs/dbraw/zinc/06/79/75/285067975.db2.gz QPTBPBXNECNHSI-KRWDZBQOSA-N 1 3 321.465 2.317 20 0 DEADHO COC1(C[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)CCCCC1 ZINC000682942073 542380491 /nfs/dbraw/zinc/38/04/91/542380491.db2.gz JRDVLYIJGQXUFA-MRXNPFEDSA-N 1 3 309.498 2.094 20 0 DEADHO CN(C)CCC[NH2+]Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC000294789424 224222831 /nfs/dbraw/zinc/22/28/31/224222831.db2.gz OHEBKPACYRIEBK-UHFFFAOYSA-N 1 3 315.417 2.413 20 0 DEADHO CC[C@@H](CN1CCCC1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000683850711 542504657 /nfs/dbraw/zinc/50/46/57/542504657.db2.gz BIHIVLOCDGIAOV-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO COCCOc1ccc(CN2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000442918177 533238154 /nfs/dbraw/zinc/23/81/54/533238154.db2.gz GDMCIFVRDNKOPB-HNNXBMFYSA-N 1 3 322.449 2.281 20 0 DEADHO COC[C@H](NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000187779997 285399889 /nfs/dbraw/zinc/39/98/89/285399889.db2.gz XIENAKSTPCGLBY-BQFCYCMXSA-N 1 3 312.498 2.386 20 0 DEADHO COC[C@H]([NH2+]CCCN1C[C@@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000187779997 285399890 /nfs/dbraw/zinc/39/98/90/285399890.db2.gz XIENAKSTPCGLBY-BQFCYCMXSA-N 1 3 312.498 2.386 20 0 DEADHO COc1ccc(C)cc1CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422784477 533385152 /nfs/dbraw/zinc/38/51/52/533385152.db2.gz MGMHVKOZGIXNSR-FGTMMUONSA-N 1 3 318.461 2.293 20 0 DEADHO COc1ccc(CCCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422729427 533474425 /nfs/dbraw/zinc/47/44/25/533474425.db2.gz BRHCDAIPLMQYKN-GUDVDZBRSA-N 1 3 318.461 2.375 20 0 DEADHO COc1cccc(N2CC[C@H]([NH2+][C@H]3CCCC[C@@H]3CN)C2)c1 ZINC000422719574 533588765 /nfs/dbraw/zinc/58/87/65/533588765.db2.gz YVUVJNVVSLIQAQ-VKJFTORMSA-N 1 3 303.450 2.381 20 0 DEADHO COc1cccc(N2CC[C@H](N[C@H]3CCCC[C@@H]3C[NH3+])C2)c1 ZINC000422719574 533588772 /nfs/dbraw/zinc/58/87/72/533588772.db2.gz YVUVJNVVSLIQAQ-VKJFTORMSA-N 1 3 303.450 2.381 20 0 DEADHO COc1cc(C)c([C@H](C)NCCOCC[NH+](C)C)cc1OC ZINC000447602906 533612005 /nfs/dbraw/zinc/61/20/05/533612005.db2.gz WDWMTMAFTITVEG-AWEZNQCLSA-N 1 3 310.438 2.241 20 0 DEADHO Cc1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)c2c1CCC2 ZINC000562639038 291998789 /nfs/dbraw/zinc/99/87/89/291998789.db2.gz VLLMLYREKWLYJY-UHFFFAOYSA-N 1 3 317.477 2.049 20 0 DEADHO C[C@H](CN1CCCC1=O)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000360242982 133171159 /nfs/dbraw/zinc/17/11/59/133171159.db2.gz SROLYZTXKOMWMC-OAHLLOKOSA-N 1 3 307.482 2.384 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](NCCNc2ccccn2)[C@@H](C)C1 ZINC000361882020 133197777 /nfs/dbraw/zinc/19/77/77/133197777.db2.gz YGVSDVJKMLUBAG-IRXDYDNUSA-N 1 3 320.481 2.220 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](NCCNc2ccccn2)[C@@H](C)C1 ZINC000361882020 133197778 /nfs/dbraw/zinc/19/77/78/133197778.db2.gz YGVSDVJKMLUBAG-IRXDYDNUSA-N 1 3 320.481 2.220 20 0 DEADHO [NH3+]CCCCC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000563049029 292027661 /nfs/dbraw/zinc/02/76/61/292027661.db2.gz RLWPOUOPOYFLQY-UHFFFAOYSA-N 1 3 317.477 2.283 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001368660450 1148558126 /nfs/dbraw/zinc/55/81/26/1148558126.db2.gz RLUULGVLGFNBFF-WBVHZDCISA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@@H](N)C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000563090353 292030633 /nfs/dbraw/zinc/03/06/33/292030633.db2.gz NKTKGMDQEJPUOA-BHYGNILZSA-N 1 3 303.450 2.141 20 0 DEADHO CC[C@@H](N)C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000563090353 292030634 /nfs/dbraw/zinc/03/06/34/292030634.db2.gz NKTKGMDQEJPUOA-BHYGNILZSA-N 1 3 303.450 2.141 20 0 DEADHO C[C@H]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CN1C1CC1 ZINC000563380957 292051799 /nfs/dbraw/zinc/05/17/99/292051799.db2.gz IJTWPBKJSHIZST-YOEHRIQHSA-N 1 3 315.461 2.146 20 0 DEADHO CCOC(=O)C1([C@H](C)N[C@H](C)c2ccccn2)CC[NH2+]CC1 ZINC000422741650 285666396 /nfs/dbraw/zinc/66/63/96/285666396.db2.gz FDKZPXMRCXGXGX-KGLIPLIRSA-N 1 3 305.422 2.054 20 0 DEADHO C[NH+](C)CC1(NC(=O)Nc2ccc3c(c2F)CCNC3)CCC1 ZINC000563507263 292060173 /nfs/dbraw/zinc/06/01/73/292060173.db2.gz RBHNQNKDMCSUNN-UHFFFAOYSA-N 1 3 320.412 2.077 20 0 DEADHO CC[NH2+]CCCNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000563580410 292063424 /nfs/dbraw/zinc/06/34/24/292063424.db2.gz BBIWTZCFVPCCLG-DOTOQJQBSA-N 1 3 318.465 2.121 20 0 DEADHO Cc1ccccc1CN1CCC(NC(=O)CC[NH2+]C2CC2)CC1 ZINC000563899262 292079149 /nfs/dbraw/zinc/07/91/49/292079149.db2.gz YVQGVVDQEZABMK-UHFFFAOYSA-N 1 3 315.461 2.218 20 0 DEADHO O=C(C[C@H]1CCC[NH2+]1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000246263156 145096288 /nfs/dbraw/zinc/09/62/88/145096288.db2.gz LFSGMBOURBHMBT-MSOLQXFVSA-N 1 3 315.461 2.299 20 0 DEADHO CN(C)CCN(Cc1ccccc1)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000261542620 145206124 /nfs/dbraw/zinc/20/61/24/145206124.db2.gz GZLABEARKIQLPJ-QGZVFWFLSA-N 1 3 303.450 2.109 20 0 DEADHO OCC1(Cc2ccccc2)CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261642571 145212939 /nfs/dbraw/zinc/21/29/39/145212939.db2.gz DJLCINKXVGYNKN-GOSISDBHSA-N 1 3 302.462 2.303 20 0 DEADHO OCC1(Cc2ccccc2)CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000261642571 145212940 /nfs/dbraw/zinc/21/29/40/145212940.db2.gz DJLCINKXVGYNKN-GOSISDBHSA-N 1 3 302.462 2.303 20 0 DEADHO C[C@H]([NH3+])CC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000261763898 145224175 /nfs/dbraw/zinc/22/41/75/145224175.db2.gz IGBPYXCUQSPHPM-UONOGXRCSA-N 1 3 309.479 2.375 20 0 DEADHO NC[C@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccc2ccccc2c1 ZINC000261887796 145237977 /nfs/dbraw/zinc/23/79/77/145237977.db2.gz UUYYPQMOBRKKBY-JQHSSLGASA-N 1 3 311.429 2.473 20 0 DEADHO O=C(Nc1ccccc1O)C1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000262044235 145256086 /nfs/dbraw/zinc/25/60/86/145256086.db2.gz YTEQPBGPMGLSHD-AWEZNQCLSA-N 1 3 317.433 2.042 20 0 DEADHO C[C@@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])N1CCC[C@@H](C)C1 ZINC000262266502 145272484 /nfs/dbraw/zinc/27/24/84/145272484.db2.gz JXCDLBDXNCHMLL-WJPQVJKASA-N 1 3 321.509 2.377 20 0 DEADHO O=C(C[C@H]1CCC[NH2+]1)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000309701671 145350191 /nfs/dbraw/zinc/35/01/91/145350191.db2.gz GGONWGDOIGKCJL-ZWKOTPCHSA-N 1 3 315.461 2.157 20 0 DEADHO Cn1cc(CCN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000336729423 145397985 /nfs/dbraw/zinc/39/79/85/145397985.db2.gz XJYYNRKPSSUESK-VQTJNVASSA-N 1 3 324.472 2.417 20 0 DEADHO Cn1cc(CCN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000336729423 145397987 /nfs/dbraw/zinc/39/79/87/145397987.db2.gz XJYYNRKPSSUESK-VQTJNVASSA-N 1 3 324.472 2.417 20 0 DEADHO CCN(C[C@H](O)C[N@H+](C)CC)[C@H](C)Cc1ccc(OC)cc1 ZINC000565165526 292139485 /nfs/dbraw/zinc/13/94/85/292139485.db2.gz QVWNIEKFUCJLAV-NVXWUHKLSA-N 1 3 308.466 2.261 20 0 DEADHO CCN(C[C@H](O)C[N@@H+](C)CC)[C@H](C)Cc1ccc(OC)cc1 ZINC000565165526 292139487 /nfs/dbraw/zinc/13/94/87/292139487.db2.gz QVWNIEKFUCJLAV-NVXWUHKLSA-N 1 3 308.466 2.261 20 0 DEADHO CCC1(CC)[C@H](NC[C@@H](O)C[NH+]2CCC(C)CC2)C[C@@H]1OC ZINC000344107073 145804455 /nfs/dbraw/zinc/80/44/55/145804455.db2.gz RCTTUBUOYUZKSS-ZACQAIPSSA-N 1 3 312.498 2.263 20 0 DEADHO C[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)[C@H]1CCCO1 ZINC000346545455 146099597 /nfs/dbraw/zinc/09/95/97/146099597.db2.gz APWIFZAQYSJKKZ-MAUKXSAKSA-N 1 3 306.450 2.327 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](NCCn2nc(C)cc2C)[C@H](C)C1 ZINC000346546943 146100360 /nfs/dbraw/zinc/10/03/60/146100360.db2.gz RFGFEFNXNNGFJM-QAPCUYQASA-N 1 3 322.497 2.227 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](NCCn2nc(C)cc2C)[C@H](C)C1 ZINC000346546943 146100362 /nfs/dbraw/zinc/10/03/62/146100362.db2.gz RFGFEFNXNNGFJM-QAPCUYQASA-N 1 3 322.497 2.227 20 0 DEADHO [NH3+]CCCOC1CCN(Cc2cc(-n3ccnc3)cs2)CC1 ZINC000346661471 146119259 /nfs/dbraw/zinc/11/92/59/146119259.db2.gz BBNPWYRUUPDDCX-UHFFFAOYSA-N 1 3 320.462 2.264 20 0 DEADHO CN1CCC[C@H]1C(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000356995342 147018371 /nfs/dbraw/zinc/01/83/71/147018371.db2.gz PGUTZCMJGXUGEM-SFHVURJKSA-N 1 3 317.477 2.104 20 0 DEADHO c1[nH]nc(-c2cccnc2)c1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357051875 147031147 /nfs/dbraw/zinc/03/11/47/147031147.db2.gz NGQXOVCJMNVQIH-OAHLLOKOSA-N 1 3 311.433 2.293 20 0 DEADHO [NH3+]CCOCCN1CCC(c2nc3ccccc3s2)CC1 ZINC000357067730 147034393 /nfs/dbraw/zinc/03/43/93/147034393.db2.gz CYZGBACDKJOVCU-UHFFFAOYSA-N 1 3 305.447 2.451 20 0 DEADHO C[C@H](C1CC1)N(C(=O)CN1CCC([C@H]2CC[NH2+]C2)CC1)C1CC1 ZINC000357072752 147035640 /nfs/dbraw/zinc/03/56/40/147035640.db2.gz HOYZFBGWAAGUDA-PBHICJAKSA-N 1 3 319.493 2.097 20 0 DEADHO CC(C)N(C(=O)[C@H](C)N1CCC([C@@H]2CC[NH2+]C2)CC1)C(C)C ZINC000357075912 147036667 /nfs/dbraw/zinc/03/66/67/147036667.db2.gz JKOQGDLLUAAMLI-DOTOQJQBSA-N 1 3 309.498 2.342 20 0 DEADHO CC[N@H+](CCC1CCN([C@@H]2CCCCNC2=O)CC1)CC1CC1 ZINC000357085799 147039074 /nfs/dbraw/zinc/03/90/74/147039074.db2.gz OICUESLOJIVEQK-GOSISDBHSA-N 1 3 321.509 2.489 20 0 DEADHO CC[N@@H+](CCC1CCN([C@@H]2CCCCNC2=O)CC1)CC1CC1 ZINC000357085799 147039076 /nfs/dbraw/zinc/03/90/76/147039076.db2.gz OICUESLOJIVEQK-GOSISDBHSA-N 1 3 321.509 2.489 20 0 DEADHO CC(=O)Nc1cccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357091037 147039808 /nfs/dbraw/zinc/03/98/08/147039808.db2.gz VTCPULXUTGAWML-KRWDZBQOSA-N 1 3 301.434 2.467 20 0 DEADHO C[C@H](CNC(=O)NCC1(C)CC[NH+](C)CC1)N1CCC(C)CC1 ZINC000357211278 147064654 /nfs/dbraw/zinc/06/46/54/147064654.db2.gz ZZEXAXGGCBSPCS-MRXNPFEDSA-N 1 3 324.513 2.138 20 0 DEADHO COc1cc(NCCN[C@@H]2CC[N@H+](C)C[C@@H]2C)cc(OC)c1 ZINC000358342497 147116146 /nfs/dbraw/zinc/11/61/46/147116146.db2.gz FAHGKDBNUFYBLF-SUMWQHHRSA-N 1 3 307.438 2.046 20 0 DEADHO COc1cc(NCCN[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc(OC)c1 ZINC000358342497 147116149 /nfs/dbraw/zinc/11/61/49/147116149.db2.gz FAHGKDBNUFYBLF-SUMWQHHRSA-N 1 3 307.438 2.046 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000358870144 147222336 /nfs/dbraw/zinc/22/23/36/147222336.db2.gz ZMXIWGNMKOGJTK-KEYYUXOJSA-N 1 3 321.440 2.105 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000358870144 147222340 /nfs/dbraw/zinc/22/23/40/147222340.db2.gz ZMXIWGNMKOGJTK-KEYYUXOJSA-N 1 3 321.440 2.105 20 0 DEADHO O=S1(=O)CCO[C@H](C[NH2+]Cc2ccc(C3CCCC3)cc2)C1 ZINC000565630830 292174089 /nfs/dbraw/zinc/17/40/89/292174089.db2.gz GSIYELGIIJFCPM-QGZVFWFLSA-N 1 3 323.458 2.247 20 0 DEADHO Cc1nnc([C@@H](C)NC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)s1 ZINC000565635670 292174091 /nfs/dbraw/zinc/17/40/91/292174091.db2.gz FTGHWIGKRWQEAN-MFKMUULPSA-N 1 3 323.466 2.224 20 0 DEADHO Cc1nnc([C@@H](C)NC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)s1 ZINC000565635670 292174092 /nfs/dbraw/zinc/17/40/92/292174092.db2.gz FTGHWIGKRWQEAN-MFKMUULPSA-N 1 3 323.466 2.224 20 0 DEADHO CC1(C)[C@@H](CNC(=O)NC[C@H]2CCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000565647523 292175168 /nfs/dbraw/zinc/17/51/68/292175168.db2.gz TXNNNQACNXHRJO-PMPSAXMXSA-N 1 3 301.434 2.477 20 0 DEADHO CC(C)N1CCC([NH2+][C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000370652428 148040436 /nfs/dbraw/zinc/04/04/36/148040436.db2.gz NZPZOAUBCQOLIS-SFHVURJKSA-N 1 3 315.461 2.250 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000565845028 292187013 /nfs/dbraw/zinc/18/70/13/292187013.db2.gz ISUMPCOGUPVELM-JYJNAYRXSA-N 1 3 310.486 2.018 20 0 DEADHO CC1CC[NH+](C[C@@H](O)CNCC2Cc3ccccc3C2)CC1 ZINC000565865099 292187236 /nfs/dbraw/zinc/18/72/36/292187236.db2.gz HHJZFPLFKMQTRQ-IBGZPJMESA-N 1 3 302.462 2.084 20 0 DEADHO Cc1nccn1CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000566089460 292204058 /nfs/dbraw/zinc/20/40/58/292204058.db2.gz ZFLYZVYXPCEZQE-SJLPKXTDSA-N 1 3 312.417 2.037 20 0 DEADHO CN1CCC(NC(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000111797653 401724250 /nfs/dbraw/zinc/72/42/50/401724250.db2.gz BSUXYRBHTWDVDS-UHFFFAOYSA-N 1 3 310.486 2.036 20 0 DEADHO Cc1c(CN2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cnn1C ZINC000126482273 401696265 /nfs/dbraw/zinc/69/62/65/401696265.db2.gz UKVCBVFZLMRACL-GJZGRUSLSA-N 1 3 320.481 2.050 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)C(C)C ZINC000126983959 401715844 /nfs/dbraw/zinc/71/58/44/401715844.db2.gz MCWULZIXIQRAPC-HZPDHXFCSA-N 1 3 324.513 2.420 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000111463294 401716690 /nfs/dbraw/zinc/71/66/90/401716690.db2.gz RNUMEJACGUDRIQ-QGZVFWFLSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H]1CN(CC2CC[NH+](CC3CCOCC3)CC2)C[C@H](C)O1 ZINC000112697555 401754755 /nfs/dbraw/zinc/75/47/55/401754755.db2.gz FXABHANNOCCEKE-HOTGVXAUSA-N 1 3 310.482 2.234 20 0 DEADHO CSCCCN1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000075719514 401767305 /nfs/dbraw/zinc/76/73/05/401767305.db2.gz GVSMCSLYQNDNCQ-UHFFFAOYSA-N 1 3 321.534 2.489 20 0 DEADHO CSCCCN1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000075719514 401767307 /nfs/dbraw/zinc/76/73/07/401767307.db2.gz GVSMCSLYQNDNCQ-UHFFFAOYSA-N 1 3 321.534 2.489 20 0 DEADHO CN(C(=O)C[C@@H]1CC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000130488003 401833605 /nfs/dbraw/zinc/83/36/05/401833605.db2.gz SXIVRONAHMNLIC-ZWKOTPCHSA-N 1 3 315.461 2.109 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N(C)C[C@H]2CCCN(C)C2)CC1 ZINC000115815642 401837708 /nfs/dbraw/zinc/83/77/08/401837708.db2.gz IMBSITARLXBFIY-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO [NH3+]Cc1ccc(NC(=O)CC2(N3CCOCC3)CCCC2)cc1 ZINC000131649115 401854483 /nfs/dbraw/zinc/85/44/83/401854483.db2.gz BIZWDCAHPSSDQN-UHFFFAOYSA-N 1 3 317.433 2.119 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000079689624 401879681 /nfs/dbraw/zinc/87/96/81/401879681.db2.gz TXUHFUUFZQUKKY-DLBZAZTESA-N 1 3 324.513 2.282 20 0 DEADHO C[C@H](CNC(=O)N[C@H](C)CN1CCCCC1)C[NH+]1CCCCC1 ZINC000079689627 401879876 /nfs/dbraw/zinc/87/98/76/401879876.db2.gz TXUHFUUFZQUKKY-IAGOWNOFSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000085386136 401915061 /nfs/dbraw/zinc/91/50/61/401915061.db2.gz CTCXMELPEOPTCA-ZFWWWQNUSA-N 1 3 324.513 2.277 20 0 DEADHO CCCN1CC[C@@H](C[NH2+]C2CCN(C(=O)c3ccco3)CC2)C1 ZINC000151141811 402018758 /nfs/dbraw/zinc/01/87/58/402018758.db2.gz RREQBSDNPLSMCD-HNNXBMFYSA-N 1 3 319.449 2.206 20 0 DEADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cncc(F)c2)CC1 ZINC000121326306 402028886 /nfs/dbraw/zinc/02/88/86/402028886.db2.gz WUUPTCLQXFRUBA-CABCVRRESA-N 1 3 308.445 2.145 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)NC3CCCCC3)CC2)CC1 ZINC000051674629 402036122 /nfs/dbraw/zinc/03/61/22/402036122.db2.gz MTDWHSPFISXHOU-UHFFFAOYSA-N 1 3 322.497 2.177 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1)N(C)C ZINC000152336724 402090627 /nfs/dbraw/zinc/09/06/27/402090627.db2.gz DIWVJPUAHZRINV-SJORKVTESA-N 1 3 303.450 2.107 20 0 DEADHO CN(C)CCN(C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)C1CCCC1 ZINC000151907432 402064656 /nfs/dbraw/zinc/06/46/56/402064656.db2.gz OTXZTTPWAZCIRS-WBVHZDCISA-N 1 3 324.513 2.375 20 0 DEADHO Cn1ccc(C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c1 ZINC000123513491 402131488 /nfs/dbraw/zinc/13/14/88/402131488.db2.gz LIEFEYFRTLYZGJ-UHFFFAOYSA-N 1 3 312.461 2.062 20 0 DEADHO COc1ccccc1[C@H](CN[C@@H]1CC[N@H+](C)[C@@H](C)C1)N(C)C ZINC000153274440 402136256 /nfs/dbraw/zinc/13/62/56/402136256.db2.gz IYHZNROECRWYIT-UXLLHSPISA-N 1 3 305.466 2.370 20 0 DEADHO COc1ccccc1[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)C ZINC000153274440 402136258 /nfs/dbraw/zinc/13/62/58/402136258.db2.gz IYHZNROECRWYIT-UXLLHSPISA-N 1 3 305.466 2.370 20 0 DEADHO COc1ccccc1[C@H](C[NH2+][C@@H]1CCN(C)[C@@H](C)C1)N(C)C ZINC000153274440 402136260 /nfs/dbraw/zinc/13/62/60/402136260.db2.gz IYHZNROECRWYIT-UXLLHSPISA-N 1 3 305.466 2.370 20 0 DEADHO CC[C@H](C(=O)NC[C@H](Cc1ccccc1)[NH+](CC)CC)N(C)C ZINC000124765722 402196039 /nfs/dbraw/zinc/19/60/39/402196039.db2.gz HEUFJOSCLNLGKY-ZWKOTPCHSA-N 1 3 319.493 2.396 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)NC[C@@H](C)N2CCC(C)CC2)CC1 ZINC000067707821 402169457 /nfs/dbraw/zinc/16/94/57/402169457.db2.gz RTVLHDOMEWUMMV-MRXNPFEDSA-N 1 3 324.513 2.279 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000124389187 402177565 /nfs/dbraw/zinc/17/75/65/402177565.db2.gz GYXYEHBEOPAFJR-QGZVFWFLSA-N 1 3 319.449 2.440 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@@H](Cc1ccccc1)[NH+](CC)CC ZINC000155635165 402263578 /nfs/dbraw/zinc/26/35/78/402263578.db2.gz SNBDIHWSSXAJHW-NXHRZFHOSA-N 1 3 319.493 2.429 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](CO)C2)CC1 ZINC000154579035 402219601 /nfs/dbraw/zinc/21/96/01/402219601.db2.gz KPDJKFXDZOPFMM-QGZVFWFLSA-N 1 3 317.477 2.033 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](CO)C2)CC1 ZINC000154579035 402219606 /nfs/dbraw/zinc/21/96/06/402219606.db2.gz KPDJKFXDZOPFMM-QGZVFWFLSA-N 1 3 317.477 2.033 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176268870 402295728 /nfs/dbraw/zinc/29/57/28/402295728.db2.gz CKGRRFNCTSKNKF-ZACQAIPSSA-N 1 3 324.513 2.423 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000159281857 402320882 /nfs/dbraw/zinc/32/08/82/402320882.db2.gz ZTLRGBWOMDXHHP-QGZVFWFLSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000159281857 402320883 /nfs/dbraw/zinc/32/08/83/402320883.db2.gz ZTLRGBWOMDXHHP-QGZVFWFLSA-N 1 3 324.513 2.233 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000185510888 402357966 /nfs/dbraw/zinc/35/79/66/402357966.db2.gz GRILZBBAKPIECQ-JKSUJKDBSA-N 1 3 310.486 2.034 20 0 DEADHO CC(C)O[C@@H]1C[C@@H]([NH2+]CCCN2CCCN(C)CC2)C1(C)C ZINC000185220214 402335827 /nfs/dbraw/zinc/33/58/27/402335827.db2.gz CEHAJMHLURYSSC-IAGOWNOFSA-N 1 3 311.514 2.196 20 0 DEADHO CN(C)[C@@H](CNC(=O)c1ccc(C[NH3+])cc1)Cc1ccccc1 ZINC000237150909 402396802 /nfs/dbraw/zinc/39/68/02/402396802.db2.gz SMIMPCQJVRJVIV-GOSISDBHSA-N 1 3 311.429 2.048 20 0 DEADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000186117250 402403281 /nfs/dbraw/zinc/40/32/81/402403281.db2.gz UUFUFIQTEGFZJD-ULQDDVLXSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H]1C[N@H+](CCC2CCN(Cc3cnn(C)c3)CC2)C[C@H](C)O1 ZINC000177485139 402407455 /nfs/dbraw/zinc/40/74/55/402407455.db2.gz FKSMEKUXWUJRLK-IYBDPMFKSA-N 1 3 320.481 2.131 20 0 DEADHO C[C@H](CC(=O)N1CCC[C@H]1CN1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000237533811 402411621 /nfs/dbraw/zinc/41/16/21/402411621.db2.gz AJFRBNMUPWRLOL-KURKYZTESA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H](CC(=O)NC[C@@H](c1ccccc1)N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000237654035 402417251 /nfs/dbraw/zinc/41/72/51/402417251.db2.gz GKWWDONIIMJBQG-NXHRZFHOSA-N 1 3 317.477 2.431 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)CN1C1CC1 ZINC000162871721 402434618 /nfs/dbraw/zinc/43/46/18/402434618.db2.gz GWXUXCLEAISJRP-WCXIOVBPSA-N 1 3 309.498 2.091 20 0 DEADHO CN(C)Cc1cccc(CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000164419548 402462371 /nfs/dbraw/zinc/46/23/71/402462371.db2.gz NNBROBHZOYNTRI-AYHJJNSGSA-N 1 3 315.461 2.285 20 0 DEADHO C[C@@H](N)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000165883281 402479396 /nfs/dbraw/zinc/47/93/96/402479396.db2.gz JXOUKUSAKREGSK-CQSZACIVSA-N 1 3 303.450 2.415 20 0 DEADHO C[C@@H](N)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000165883281 402479398 /nfs/dbraw/zinc/47/93/98/402479398.db2.gz JXOUKUSAKREGSK-CQSZACIVSA-N 1 3 303.450 2.415 20 0 DEADHO C[C@H](CC(=O)NCCN(C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000165933616 402480119 /nfs/dbraw/zinc/48/01/19/402480119.db2.gz GJJLYHVQACXTIQ-MRXNPFEDSA-N 1 3 317.477 2.260 20 0 DEADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000246149390 402513287 /nfs/dbraw/zinc/51/32/87/402513287.db2.gz CTCXMELPEOPTCA-DZGCQCFKSA-N 1 3 324.513 2.277 20 0 DEADHO C[NH2+]C[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000167545080 402492406 /nfs/dbraw/zinc/49/24/06/402492406.db2.gz UPSCXGJTARAMAC-ZOBUZTSGSA-N 1 3 303.450 2.011 20 0 DEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](N)CCSC)C1 ZINC000168644228 402498199 /nfs/dbraw/zinc/49/81/99/402498199.db2.gz NDYMIVYSQMKZME-ZIAGYGMSSA-N 1 3 315.527 2.084 20 0 DEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](N)CCSC)C1 ZINC000168644228 402498201 /nfs/dbraw/zinc/49/82/01/402498201.db2.gz NDYMIVYSQMKZME-ZIAGYGMSSA-N 1 3 315.527 2.084 20 0 DEADHO CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000169002423 402499338 /nfs/dbraw/zinc/49/93/38/402499338.db2.gz JHUGMTUPNDMPMR-PVAVHDDUSA-N 1 3 303.450 2.141 20 0 DEADHO CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000169002515 402499561 /nfs/dbraw/zinc/49/95/61/402499561.db2.gz JHUGMTUPNDMPMR-XIRDDKMYSA-N 1 3 303.450 2.141 20 0 DEADHO C[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc2c(c1)CCO2 ZINC000178521225 402507368 /nfs/dbraw/zinc/50/73/68/402507368.db2.gz HGDGAGDOUDTODW-AWEZNQCLSA-N 1 3 304.434 2.119 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)[NH+]1CCC(C)CC1 ZINC000247080903 402556441 /nfs/dbraw/zinc/55/64/41/402556441.db2.gz XRFUEDQETCDCGX-OAGGEKHMSA-N 1 3 322.497 2.031 20 0 DEADHO CCOC(=O)N[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)CC(C)C ZINC000247103602 402557074 /nfs/dbraw/zinc/55/70/74/402557074.db2.gz QBZXKFDPHORBIV-LVQVYYBASA-N 1 3 313.486 2.466 20 0 DEADHO CCOC(=O)N[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)CC(C)C ZINC000247103602 402557075 /nfs/dbraw/zinc/55/70/75/402557075.db2.gz QBZXKFDPHORBIV-LVQVYYBASA-N 1 3 313.486 2.466 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)COCc2ccccc2)[C@H](C)C1 ZINC000178979093 402561209 /nfs/dbraw/zinc/56/12/09/402561209.db2.gz IAHKKXHDENWOOU-NEWSRXKRSA-N 1 3 320.477 2.226 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)COCc2ccccc2)[C@H](C)C1 ZINC000178979093 402561211 /nfs/dbraw/zinc/56/12/11/402561211.db2.gz IAHKKXHDENWOOU-NEWSRXKRSA-N 1 3 320.477 2.226 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC=CCC1 ZINC000246384251 402527873 /nfs/dbraw/zinc/52/78/73/402527873.db2.gz QTKHYDNJRMLARB-SJORKVTESA-N 1 3 322.497 2.153 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC=CCC1 ZINC000246384251 402527877 /nfs/dbraw/zinc/52/78/77/402527877.db2.gz QTKHYDNJRMLARB-SJORKVTESA-N 1 3 322.497 2.153 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171622579 402602581 /nfs/dbraw/zinc/60/25/81/402602581.db2.gz HYRLRRNFHHGRPM-IAGOWNOFSA-N 1 3 322.497 2.131 20 0 DEADHO C[C@H]([NH3+])CCC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000248852272 402611338 /nfs/dbraw/zinc/61/13/38/402611338.db2.gz JULAIEXJOKGMFQ-HEHGZKQESA-N 1 3 309.479 2.375 20 0 DEADHO CC[NH+](CC)CCNC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000180309722 402612463 /nfs/dbraw/zinc/61/24/63/402612463.db2.gz SEHXZOMMFGCWEZ-INIZCTEOSA-N 1 3 320.481 2.148 20 0 DEADHO CC(C)[N@@H+](C)CCNC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000181324780 402641529 /nfs/dbraw/zinc/64/15/29/402641529.db2.gz RYUXJNYFMCIXOG-MRXNPFEDSA-N 1 3 320.481 2.146 20 0 DEADHO CC(C)[N@H+](C)CCNC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000181324780 402641531 /nfs/dbraw/zinc/64/15/31/402641531.db2.gz RYUXJNYFMCIXOG-MRXNPFEDSA-N 1 3 320.481 2.146 20 0 DEADHO CO[C@@H](C)CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000191139267 402644705 /nfs/dbraw/zinc/64/47/05/402644705.db2.gz JSBLQKXOKGDAPV-HNNXBMFYSA-N 1 3 305.466 2.342 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H](C)c2cnn(C(C)C)c2C)CC1 ZINC000191171179 402647441 /nfs/dbraw/zinc/64/74/41/402647441.db2.gz SQNWFUBOEOGZEV-MRXNPFEDSA-N 1 3 321.513 2.451 20 0 DEADHO C[C@H](CCNC(=O)N1CC[C@@H](N2CCCC2)C1)[NH+]1CCCCC1 ZINC000182665201 402706567 /nfs/dbraw/zinc/70/65/67/402706567.db2.gz GXZDGMXVXVHIBK-IAGOWNOFSA-N 1 3 322.497 2.131 20 0 DEADHO C[C@@H]([NH3+])[C@H](C)C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000192099462 402711366 /nfs/dbraw/zinc/71/13/66/402711366.db2.gz BWKTYQLCGYRHRA-ZMSDIMECSA-N 1 3 303.450 2.093 20 0 DEADHO CN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)C1CCN(Cc2ccccc2)CC1 ZINC000261555722 402713815 /nfs/dbraw/zinc/71/38/15/402713815.db2.gz VDUAOSGITXRJGU-IAGOWNOFSA-N 1 3 315.461 2.237 20 0 DEADHO [NH3+]CC[C@@H]1CCCN(CC(=O)N2CCC[C@@H]3CCCC[C@H]32)C1 ZINC000261952276 402720037 /nfs/dbraw/zinc/72/00/37/402720037.db2.gz NHEBYVYENDCHJI-YESZJQIVSA-N 1 3 307.482 2.228 20 0 DEADHO CC[NH2+]CC1CCN([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000262429784 402725386 /nfs/dbraw/zinc/72/53/86/402725386.db2.gz FTXFVHSKERBRQI-KRWDZBQOSA-N 1 3 301.434 2.261 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)c2cccc(CN3CCCC3)c2)CC[NH2+]1 ZINC000262934272 402737120 /nfs/dbraw/zinc/73/71/20/402737120.db2.gz TUKWECDCHIKUKG-YOEHRIQHSA-N 1 3 301.434 2.153 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)c2oc3ccccc3c2CN(C)C)CC[NH2+]1 ZINC000262991258 402740251 /nfs/dbraw/zinc/74/02/51/402740251.db2.gz ZXIPIDYCVYHDEY-OLZOCXBDSA-N 1 3 315.417 2.365 20 0 DEADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C)CC[NH+](C)C)N(C)C)cc1 ZINC000263791851 402804410 /nfs/dbraw/zinc/80/44/10/402804410.db2.gz YOHVJAKJXLRDEX-RDJZCZTQSA-N 1 3 320.481 2.237 20 0 DEADHO Cc1ccccc1CN1CCC(NC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000195148196 402833753 /nfs/dbraw/zinc/83/37/53/402833753.db2.gz DTQYBKKXKFDRJC-INIZCTEOSA-N 1 3 315.461 2.075 20 0 DEADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](N)CCSC ZINC000272376028 402929575 /nfs/dbraw/zinc/92/95/75/402929575.db2.gz VLBBYOKBILXHQJ-MRXNPFEDSA-N 1 3 323.506 2.225 20 0 DEADHO COCCOCCN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272388716 402930772 /nfs/dbraw/zinc/93/07/72/402930772.db2.gz CNKNUCHCTIOKKA-WMZOPIPTSA-N 1 3 306.450 2.150 20 0 DEADHO COCCOCCN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272388716 402930773 /nfs/dbraw/zinc/93/07/73/402930773.db2.gz CNKNUCHCTIOKKA-WMZOPIPTSA-N 1 3 306.450 2.150 20 0 DEADHO COC(=O)COc1ccccc1[C@@H](C)NCC1=CC[N@H+](C)CC1 ZINC000273324143 402994009 /nfs/dbraw/zinc/99/40/09/402994009.db2.gz HPNMSSUXGOFPDV-CQSZACIVSA-N 1 3 318.417 2.151 20 0 DEADHO COC(=O)COc1ccccc1[C@@H](C)NCC1=CC[N@@H+](C)CC1 ZINC000273324143 402994011 /nfs/dbraw/zinc/99/40/11/402994011.db2.gz HPNMSSUXGOFPDV-CQSZACIVSA-N 1 3 318.417 2.151 20 0 DEADHO C[NH+](C)CCOc1ccccc1N1CCN(CC2CC2)CC1 ZINC000268615917 403099229 /nfs/dbraw/zinc/09/92/29/403099229.db2.gz AAEMBSHFDOMILL-UHFFFAOYSA-N 1 3 303.450 2.159 20 0 DEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCC(=O)N(C)C ZINC000276320162 403163376 /nfs/dbraw/zinc/16/33/76/403163376.db2.gz ZYAAUCIIEMJBLU-MNZLEMJZSA-N 1 3 317.477 2.211 20 0 DEADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCC(=O)N(C)C ZINC000276320162 403163378 /nfs/dbraw/zinc/16/33/78/403163378.db2.gz ZYAAUCIIEMJBLU-MNZLEMJZSA-N 1 3 317.477 2.211 20 0 DEADHO COC[C@H]([NH2+]Cc1ccnc(OCCN(C)C)c1)C1CCCC1 ZINC000275914802 403132566 /nfs/dbraw/zinc/13/25/66/403132566.db2.gz UZTMHNVAWLRPCX-KRWDZBQOSA-N 1 3 321.465 2.317 20 0 DEADHO CN(C)C(=O)CCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285435345 403295380 /nfs/dbraw/zinc/29/53/80/403295380.db2.gz FKDSPYSCVPYMHZ-IBGZPJMESA-N 1 3 315.461 2.063 20 0 DEADHO CN(C)C(=O)CCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285435345 403295383 /nfs/dbraw/zinc/29/53/83/403295383.db2.gz FKDSPYSCVPYMHZ-IBGZPJMESA-N 1 3 315.461 2.063 20 0 DEADHO CO[C@H](CN(C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000284422096 403267480 /nfs/dbraw/zinc/26/74/80/403267480.db2.gz ORHLSICTFDLMEE-LJQANCHMSA-N 1 3 319.493 2.332 20 0 DEADHO C[C@H]1CCCN(CC[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000298264789 403346000 /nfs/dbraw/zinc/34/60/00/403346000.db2.gz GBKZFUQXZZPNGA-INIZCTEOSA-N 1 3 302.466 2.372 20 0 DEADHO C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1-n1ccnn1 ZINC000285672501 403353462 /nfs/dbraw/zinc/35/34/62/403353462.db2.gz NNPKWWKRJCQZKS-GJZGRUSLSA-N 1 3 311.433 2.402 20 0 DEADHO C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1-n1ccnn1 ZINC000285672501 403353468 /nfs/dbraw/zinc/35/34/68/403353468.db2.gz NNPKWWKRJCQZKS-GJZGRUSLSA-N 1 3 311.433 2.402 20 0 DEADHO CN1CCC(O)(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000339069642 403342384 /nfs/dbraw/zinc/34/23/84/403342384.db2.gz YTQJZBXBTKZTCZ-WMZOPIPTSA-N 1 3 318.461 2.201 20 0 DEADHO CN(C)[C@@H](CNC(=O)NCC[NH+]1CCCCC1)c1ccccc1 ZINC000298629644 403428127 /nfs/dbraw/zinc/42/81/27/403428127.db2.gz AHFWIMLGDCHXHP-KRWDZBQOSA-N 1 3 318.465 2.074 20 0 DEADHO C[C@H](CCNC(=O)N[C@H]1CCCN(C)[C@@H]1C)[NH+]1CCCCC1 ZINC000345744504 403466003 /nfs/dbraw/zinc/46/60/03/403466003.db2.gz KNZMAVQWJSRPTE-OAGGEKHMSA-N 1 3 310.486 2.033 20 0 DEADHO CC[NH+](CC)CCSCC(=O)N1CCCN(C(C)C)CC1 ZINC000345867203 403515031 /nfs/dbraw/zinc/51/50/31/403515031.db2.gz MYUWVYBXAGSRFC-UHFFFAOYSA-N 1 3 315.527 2.004 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1cccc(N2CCOCC2)c1 ZINC000293605776 403516166 /nfs/dbraw/zinc/51/61/66/403516166.db2.gz DSXLIQPWCNQTHQ-GPMSIDNRSA-N 1 3 317.477 2.342 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1cccc(N2CCOCC2)c1 ZINC000293605776 403516171 /nfs/dbraw/zinc/51/61/71/403516171.db2.gz DSXLIQPWCNQTHQ-GPMSIDNRSA-N 1 3 317.477 2.342 20 0 DEADHO C[C@H](C[NH2+][C@H](C)[C@H](c1ccccc1)N1CCOCC1)CN(C)C ZINC000293830287 403574552 /nfs/dbraw/zinc/57/45/52/403574552.db2.gz WKULSZNHNGISCA-ZHALLVOQSA-N 1 3 319.493 2.236 20 0 DEADHO OCCN1CCN(CCCC[NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000340243272 403575230 /nfs/dbraw/zinc/57/52/30/403575230.db2.gz NDQDYVXETNNIST-SFHVURJKSA-N 1 3 323.525 2.079 20 0 DEADHO C[C@@H](NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(C)(C)n1cncn1 ZINC000340474874 403623760 /nfs/dbraw/zinc/62/37/60/403623760.db2.gz OVVWPAMVTBJLFD-OWCLPIDISA-N 1 3 307.486 2.359 20 0 DEADHO C[C@@H](NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(C)(C)n1cncn1 ZINC000340474874 403623763 /nfs/dbraw/zinc/62/37/63/403623763.db2.gz OVVWPAMVTBJLFD-OWCLPIDISA-N 1 3 307.486 2.359 20 0 DEADHO C[C@@H]([NH2+]CCCN1C[C@H](C)C[C@H](C)C1)C(C)(C)n1cncn1 ZINC000340474874 403623766 /nfs/dbraw/zinc/62/37/66/403623766.db2.gz OVVWPAMVTBJLFD-OWCLPIDISA-N 1 3 307.486 2.359 20 0 DEADHO CC(C)[NH+](CCCN[C@H]1CCC[C@H](S(C)(=O)=O)C1)C(C)C ZINC000340521259 403635673 /nfs/dbraw/zinc/63/56/73/403635673.db2.gz SFBWYKQCEALNTL-HOTGVXAUSA-N 1 3 318.527 2.441 20 0 DEADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2ccc3c[nH]nc3c2)CC1 ZINC000333124390 403672268 /nfs/dbraw/zinc/67/22/68/403672268.db2.gz ISEBHPOSGHBCKL-WMZOPIPTSA-N 1 3 314.433 2.281 20 0 DEADHO C[C@H](C(=O)NCC1CCC(C[NH3+])CC1)[C@H](N)c1ccccc1 ZINC000343647012 403677500 /nfs/dbraw/zinc/67/75/00/403677500.db2.gz SWOPJYKNTZUPES-GIOUXUJVSA-N 1 3 303.450 2.204 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)N(CC)CC ZINC000347384831 403688565 /nfs/dbraw/zinc/68/85/65/403688565.db2.gz ZGKVAYUHVJESOV-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)N(CC)CC ZINC000347384831 403688567 /nfs/dbraw/zinc/68/85/67/403688567.db2.gz ZGKVAYUHVJESOV-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CCOC[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000347414704 403701330 /nfs/dbraw/zinc/70/13/30/403701330.db2.gz LADYKAQZOJBDAM-XVLXNVKGSA-N 1 3 318.461 2.169 20 0 DEADHO CCOC[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000347414704 403701333 /nfs/dbraw/zinc/70/13/33/403701333.db2.gz LADYKAQZOJBDAM-XVLXNVKGSA-N 1 3 318.461 2.169 20 0 DEADHO COc1c(C)cnc(CN(C)CCC[N@H+](C)CCN(C)C)c1C ZINC000288776042 403767132 /nfs/dbraw/zinc/76/71/32/403767132.db2.gz BJGYGJKJYADTHJ-UHFFFAOYSA-N 1 3 322.497 2.022 20 0 DEADHO COc1c(C)cnc(CN(C)CCC[N@@H+](C)CCN(C)C)c1C ZINC000288776042 403767134 /nfs/dbraw/zinc/76/71/34/403767134.db2.gz BJGYGJKJYADTHJ-UHFFFAOYSA-N 1 3 322.497 2.022 20 0 DEADHO Cc1cc(N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)cc[nH+]1 ZINC000302786148 403726131 /nfs/dbraw/zinc/72/61/31/403726131.db2.gz WASSZRDRQUREJI-LJQANCHMSA-N 1 3 311.429 2.463 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000343782148 403731166 /nfs/dbraw/zinc/73/11/66/403731166.db2.gz CFHDHFYQAZMJMW-RKVPGOIHSA-N 1 3 319.493 2.240 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000343782148 403731167 /nfs/dbraw/zinc/73/11/67/403731167.db2.gz CFHDHFYQAZMJMW-RKVPGOIHSA-N 1 3 319.493 2.240 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc2c(c1)CNC2 ZINC000347505550 403733891 /nfs/dbraw/zinc/73/38/91/403733891.db2.gz QVBYDSZONJSQTR-KBPBESRZSA-N 1 3 301.434 2.140 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc2c(c1)CNC2 ZINC000347505550 403733894 /nfs/dbraw/zinc/73/38/94/403733894.db2.gz QVBYDSZONJSQTR-KBPBESRZSA-N 1 3 301.434 2.140 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000341028756 403742638 /nfs/dbraw/zinc/74/26/38/403742638.db2.gz LEWJXXAYMRTRCF-QBPKDAKJSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H]1CCC[C@](CNC(=O)N[C@@H]2CCCN(C)[C@H]2C)([NH+](C)C)C1 ZINC000343850093 403758325 /nfs/dbraw/zinc/75/83/25/403758325.db2.gz KEYDNRBVEKBPPH-HPFXQQBRSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000295233661 403805439 /nfs/dbraw/zinc/80/54/39/403805439.db2.gz SDQNVQFRRURDJF-ZHALLVOQSA-N 1 3 315.461 2.316 20 0 DEADHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H](C)CN(C)C)cc1 ZINC000289105172 403833953 /nfs/dbraw/zinc/83/39/53/403833953.db2.gz QBGOSLVVCMOCRB-HNNXBMFYSA-N 1 3 320.481 2.278 20 0 DEADHO CCCCN(C)CCNC(=O)N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000341121235 403784280 /nfs/dbraw/zinc/78/42/80/403784280.db2.gz IGEZRNZTAUCMHB-INIZCTEOSA-N 1 3 312.502 2.092 20 0 DEADHO CCCCN(C)CCNC(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000341121235 403784285 /nfs/dbraw/zinc/78/42/85/403784285.db2.gz IGEZRNZTAUCMHB-INIZCTEOSA-N 1 3 312.502 2.092 20 0 DEADHO C(N[C@@H]1CCCC12CCCC2)c1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333641432 403801135 /nfs/dbraw/zinc/80/11/35/403801135.db2.gz XJQGYPUMLMZFBX-CQSZACIVSA-N 1 3 303.454 2.474 20 0 DEADHO C[C@H]1CN(CCC2CC[NH+](CCCCCO)CC2)C[C@H](C)O1 ZINC000304779716 403802773 /nfs/dbraw/zinc/80/27/73/403802773.db2.gz FOEAMJPZEPCLCD-IRXDYDNUSA-N 1 3 312.498 2.360 20 0 DEADHO C[C@@H]1CN(CCC2CC[NH+](CCCCCO)CC2)C[C@@H](C)O1 ZINC000304779715 403802815 /nfs/dbraw/zinc/80/28/15/403802815.db2.gz FOEAMJPZEPCLCD-IAGOWNOFSA-N 1 3 312.498 2.360 20 0 DEADHO CC(C)N1CCCN(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000341216243 403840814 /nfs/dbraw/zinc/84/08/14/403840814.db2.gz USVXIBDJSBQFEN-DLBZAZTESA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)N1CCCN(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000341216243 403840819 /nfs/dbraw/zinc/84/08/19/403840819.db2.gz USVXIBDJSBQFEN-DLBZAZTESA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)CCN1C ZINC000361778956 403860821 /nfs/dbraw/zinc/86/08/21/403860821.db2.gz AYRKEHUITLGOMB-GDBMZVCRSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@]3(O)CCSC3)CC2)C1 ZINC000305188147 403868939 /nfs/dbraw/zinc/86/89/39/403868939.db2.gz XQAKLJJSWHAGMQ-DJIMGWMZSA-N 1 3 312.523 2.487 20 0 DEADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C[C@]3(O)CCSC3)CC2)C1 ZINC000305188147 403868941 /nfs/dbraw/zinc/86/89/41/403868941.db2.gz XQAKLJJSWHAGMQ-DJIMGWMZSA-N 1 3 312.523 2.487 20 0 DEADHO [NH3+]C[C@@H](NC(=O)N1CCN(C2CCCC2)CC1)C1CCCCC1 ZINC000333821936 403874437 /nfs/dbraw/zinc/87/44/37/403874437.db2.gz KZJGXRUFLYAVRU-QGZVFWFLSA-N 1 3 322.497 2.164 20 0 DEADHO CCN1CCC(NC(=O)C[NH2+][C@H]2CCC(C)(C)C[C@H]2C)CC1 ZINC000411546671 403890409 /nfs/dbraw/zinc/89/04/09/403890409.db2.gz BFHSPMKTQNYOOM-ZBFHGGJFSA-N 1 3 309.498 2.391 20 0 DEADHO CCN1CCC(NC(=O)C[NH2+][C@@H]2CCC(C)(C)C[C@@H]2C)CC1 ZINC000411546668 403890614 /nfs/dbraw/zinc/89/06/14/403890614.db2.gz BFHSPMKTQNYOOM-GOEBONIOSA-N 1 3 309.498 2.391 20 0 DEADHO CN(CCOCCO)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411690267 403939671 /nfs/dbraw/zinc/93/96/71/403939671.db2.gz LJAKIFRYKLELJS-UHFFFAOYSA-N 1 3 306.450 2.113 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCN(Cc2ccc(OCc3nccn3C)cc2)C1 ZINC000351858508 403967014 /nfs/dbraw/zinc/96/70/14/403967014.db2.gz DOBKILSZXJHWHD-HOCLYGCPSA-N 1 3 314.433 2.168 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCCN(C)[C@@H]2C)C1 ZINC000344290348 404033509 /nfs/dbraw/zinc/03/35/09/404033509.db2.gz NARYXOKSTIKHCP-ZACQAIPSSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCCN(C)[C@@H]2C)C1 ZINC000344290348 404033520 /nfs/dbraw/zinc/03/35/20/404033520.db2.gz NARYXOKSTIKHCP-ZACQAIPSSA-N 1 3 324.513 2.136 20 0 DEADHO Cc1cnccc1CNCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000295553269 403986707 /nfs/dbraw/zinc/98/67/07/403986707.db2.gz YNSWPVNVEBASKS-LJQANCHMSA-N 1 3 311.429 2.246 20 0 DEADHO Cc1cnccc1CNCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000295553269 403986713 /nfs/dbraw/zinc/98/67/13/403986713.db2.gz YNSWPVNVEBASKS-LJQANCHMSA-N 1 3 311.429 2.246 20 0 DEADHO CC(C)N1CCCN(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000341489168 403995924 /nfs/dbraw/zinc/99/59/24/403995924.db2.gz CTNSJARSGZATCC-SJORKVTESA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)N1CCCN(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000341489168 403995933 /nfs/dbraw/zinc/99/59/33/403995933.db2.gz CTNSJARSGZATCC-SJORKVTESA-N 1 3 324.513 2.233 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(C)[C@@H]2C)CC1 ZINC000344261240 404016120 /nfs/dbraw/zinc/01/61/20/404016120.db2.gz VYHOWZRCWNUYGL-GDBMZVCRSA-N 1 3 310.486 2.033 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000354793365 404016659 /nfs/dbraw/zinc/01/66/59/404016659.db2.gz JIPJIVQVAVOYAK-IKGGRYGDSA-N 1 3 322.497 2.177 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000354793365 404016668 /nfs/dbraw/zinc/01/66/68/404016668.db2.gz JIPJIVQVAVOYAK-IKGGRYGDSA-N 1 3 322.497 2.177 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cccc(O)c1 ZINC000289471691 403980193 /nfs/dbraw/zinc/98/01/93/403980193.db2.gz PNOAFUFLFYSTLZ-QGZVFWFLSA-N 1 3 305.466 2.240 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cccc(O)c1 ZINC000289471691 403980200 /nfs/dbraw/zinc/98/02/00/403980200.db2.gz PNOAFUFLFYSTLZ-QGZVFWFLSA-N 1 3 305.466 2.240 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000296072528 404079108 /nfs/dbraw/zinc/07/91/08/404079108.db2.gz PWFXYXKKYDMFEZ-CQSZACIVSA-N 1 3 307.438 2.262 20 0 DEADHO CN(C)CCN(C)CCC[N@H+](C)Cc1cccc2cc[nH]c21 ZINC000290207707 404080756 /nfs/dbraw/zinc/08/07/56/404080756.db2.gz QEHBYWIKIDJBFP-UHFFFAOYSA-N 1 3 302.466 2.483 20 0 DEADHO CN(C)CCN(C)CCC[N@@H+](C)Cc1cccc2cc[nH]c21 ZINC000290207707 404080762 /nfs/dbraw/zinc/08/07/62/404080762.db2.gz QEHBYWIKIDJBFP-UHFFFAOYSA-N 1 3 302.466 2.483 20 0 DEADHO COc1cccc(NC(=O)C[C@@H](C)[NH2+]CC2=CCN(C)CC2)c1 ZINC000344293710 404036202 /nfs/dbraw/zinc/03/62/02/404036202.db2.gz IKLCAWJMWFWSEP-CQSZACIVSA-N 1 3 317.433 2.264 20 0 DEADHO CN(CCc1cncn1C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290103004 404040392 /nfs/dbraw/zinc/04/03/92/404040392.db2.gz SCWSXUYIFRGXAH-GOSISDBHSA-N 1 3 312.461 2.417 20 0 DEADHO CN(CCc1cncn1C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290103004 404040400 /nfs/dbraw/zinc/04/04/00/404040400.db2.gz SCWSXUYIFRGXAH-GOSISDBHSA-N 1 3 312.461 2.417 20 0 DEADHO Cn1cncc1CC[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000290103004 404040408 /nfs/dbraw/zinc/04/04/08/404040408.db2.gz SCWSXUYIFRGXAH-GOSISDBHSA-N 1 3 312.461 2.417 20 0 DEADHO Cn1cncc1CC[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000290103004 404040413 /nfs/dbraw/zinc/04/04/13/404040413.db2.gz SCWSXUYIFRGXAH-GOSISDBHSA-N 1 3 312.461 2.417 20 0 DEADHO CCC[NH+](CCC)CCCN[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000351979068 404051470 /nfs/dbraw/zinc/05/14/70/404051470.db2.gz HJOWANRSRJQFJB-JKSUJKDBSA-N 1 3 318.527 2.444 20 0 DEADHO C[C@H]1CN(CC2CC[NH+](CC3(O)CCCC3)CC2)C[C@H](C)O1 ZINC000348281158 404056586 /nfs/dbraw/zinc/05/65/86/404056586.db2.gz JRJODBNKISKGTN-HOTGVXAUSA-N 1 3 310.482 2.113 20 0 DEADHO CC(C)N(C)C(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354859936 404059957 /nfs/dbraw/zinc/05/99/57/404059957.db2.gz LFWFNJSRKNGWRA-UHFFFAOYSA-N 1 3 318.465 2.097 20 0 DEADHO Cc1cccc(NC(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1C ZINC000320118836 404061782 /nfs/dbraw/zinc/06/17/82/404061782.db2.gz NLCWPYCPWJQVNW-IYBDPMFKSA-N 1 3 301.434 2.173 20 0 DEADHO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@@H](C)CN2CCCC2)c1 ZINC000320919057 404070356 /nfs/dbraw/zinc/07/03/56/404070356.db2.gz QGPCRHDYPJCXQY-AEFFLSMTSA-N 1 3 320.477 2.365 20 0 DEADHO COCCOCc1ccc(C[NH2+]CC2=CCN(C)CC2)cc1 ZINC000290177993 404070817 /nfs/dbraw/zinc/07/08/17/404070817.db2.gz RRBVVXBWPJSUPE-UHFFFAOYSA-N 1 3 304.434 2.201 20 0 DEADHO c1cc2c(cc1CCN[C@H]1CC[N@@H+]3CCC[C@@H]3C1)OCCO2 ZINC000337605979 404128770 /nfs/dbraw/zinc/12/87/70/404128770.db2.gz MIYFQNKMRQBZCV-JKSUJKDBSA-N 1 3 302.418 2.217 20 0 DEADHO c1cc2c(cc1CCN[C@H]1CC[N@H+]3CCC[C@@H]3C1)OCCO2 ZINC000337605979 404128778 /nfs/dbraw/zinc/12/87/78/404128778.db2.gz MIYFQNKMRQBZCV-JKSUJKDBSA-N 1 3 302.418 2.217 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000369611068 404164236 /nfs/dbraw/zinc/16/42/36/404164236.db2.gz CVINZWIQHXUPED-IRXDYDNUSA-N 1 3 322.497 2.131 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000369611068 404164238 /nfs/dbraw/zinc/16/42/38/404164238.db2.gz CVINZWIQHXUPED-IRXDYDNUSA-N 1 3 322.497 2.131 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000352139628 404170084 /nfs/dbraw/zinc/17/00/84/404170084.db2.gz GQLKZWDYOYVSQJ-MSOLQXFVSA-N 1 3 317.477 2.211 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000352139628 404170091 /nfs/dbraw/zinc/17/00/91/404170091.db2.gz GQLKZWDYOYVSQJ-MSOLQXFVSA-N 1 3 317.477 2.211 20 0 DEADHO Cn1ccc(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)n1 ZINC000355068145 404195285 /nfs/dbraw/zinc/19/52/85/404195285.db2.gz VOTRDQHCDVTBKL-DFQSSKMNSA-N 1 3 324.472 2.463 20 0 DEADHO Cn1ccc(CCN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000355068145 404195293 /nfs/dbraw/zinc/19/52/93/404195293.db2.gz VOTRDQHCDVTBKL-DFQSSKMNSA-N 1 3 324.472 2.463 20 0 DEADHO Cn1ccc(CCN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000355068145 404195303 /nfs/dbraw/zinc/19/53/03/404195303.db2.gz VOTRDQHCDVTBKL-DFQSSKMNSA-N 1 3 324.472 2.463 20 0 DEADHO COc1cc(CN2CCC(C[NH+](C)C)CC2)cc2c1OCO2 ZINC000350144897 404330249 /nfs/dbraw/zinc/33/02/49/404330249.db2.gz VMXQNUSKPXUQIU-UHFFFAOYSA-N 1 3 306.406 2.198 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)N2CCN(C)CC[C@@H]2C)CC1 ZINC000355482537 404341586 /nfs/dbraw/zinc/34/15/86/404341586.db2.gz PLHXEAWRZLKTKA-KRWDZBQOSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H]1CCC[C@@](CNC(=O)N2CCN(C)CC[C@@H]2C)([NH+](C)C)C1 ZINC000355518556 404346939 /nfs/dbraw/zinc/34/69/39/404346939.db2.gz VFRZZFFQLFNBMC-SOLBZPMBSA-N 1 3 324.513 2.233 20 0 DEADHO CN(C)CCN1CCC([NH2+]Cc2ccc(C(C)(C)O)cc2)CC1 ZINC000296784530 404320055 /nfs/dbraw/zinc/32/00/55/404320055.db2.gz SGCPGDYOZVRGGD-UHFFFAOYSA-N 1 3 319.493 2.030 20 0 DEADHO C[C@@H]1CCN(C)CCN1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000342029847 404324626 /nfs/dbraw/zinc/32/46/26/404324626.db2.gz YBTAJVVMWZOWOO-CABCVRRESA-N 1 3 312.502 2.088 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)C34CCC(CC3)C4)CC2)CC1 ZINC000344840290 404397509 /nfs/dbraw/zinc/39/75/09/404397509.db2.gz XWVVDJPCECPPBF-UHFFFAOYSA-N 1 3 319.493 2.242 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000350476710 404398266 /nfs/dbraw/zinc/39/82/66/404398266.db2.gz FMERUVMQEAEZBK-PMRDEQMMSA-N 1 3 322.497 2.127 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000350476710 404398275 /nfs/dbraw/zinc/39/82/75/404398275.db2.gz FMERUVMQEAEZBK-PMRDEQMMSA-N 1 3 322.497 2.127 20 0 DEADHO C[C@H](CNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C)N(C)C1CC1 ZINC000356223280 404404902 /nfs/dbraw/zinc/40/49/02/404404902.db2.gz KNUAFDXSHOVLOU-KFWWJZLASA-N 1 3 310.486 2.031 20 0 DEADHO C[C@H](CNC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C)N(C)C1CC1 ZINC000356223280 404404912 /nfs/dbraw/zinc/40/49/12/404404912.db2.gz KNUAFDXSHOVLOU-KFWWJZLASA-N 1 3 310.486 2.031 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)CC1 ZINC000356258519 404411793 /nfs/dbraw/zinc/41/17/93/404411793.db2.gz PBGWGQWHYRXKJL-SFHVURJKSA-N 1 3 307.482 2.051 20 0 DEADHO C[NH+](C)CCN(C(=O)c1ccc(Nc2ccncc2)cc1)C1CC1 ZINC000356295639 404431204 /nfs/dbraw/zinc/43/12/04/404431204.db2.gz LABRMVFTIIHWQK-UHFFFAOYSA-N 1 3 324.428 2.413 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000351069043 404508306 /nfs/dbraw/zinc/50/83/06/404508306.db2.gz ZTDCJZQUJAPICG-SJORKVTESA-N 1 3 322.497 2.131 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000351069043 404508308 /nfs/dbraw/zinc/50/83/08/404508308.db2.gz ZTDCJZQUJAPICG-SJORKVTESA-N 1 3 322.497 2.131 20 0 DEADHO CCCN1CC[C@@H](C[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000373296660 404537261 /nfs/dbraw/zinc/53/72/61/404537261.db2.gz OGNICXMFZSWZMA-AWEZNQCLSA-N 1 3 308.495 2.433 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000567469029 292315953 /nfs/dbraw/zinc/31/59/53/292315953.db2.gz MJDWQKZUYXWKDK-MPTYRVRUSA-N 1 3 318.465 2.074 20 0 DEADHO C[C@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1[C@H](C)CC[C@H]1C ZINC000342465259 404596372 /nfs/dbraw/zinc/59/63/72/404596372.db2.gz PBSLMQOMKBYFMM-QOSYTGGDSA-N 1 3 307.482 2.331 20 0 DEADHO C[C@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1[C@H](C)CC[C@H]1C ZINC000342465259 404596376 /nfs/dbraw/zinc/59/63/76/404596376.db2.gz PBSLMQOMKBYFMM-QOSYTGGDSA-N 1 3 307.482 2.331 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000356530574 404575006 /nfs/dbraw/zinc/57/50/06/404575006.db2.gz QQLIFDJUMUMIRG-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000356530574 404575012 /nfs/dbraw/zinc/57/50/12/404575012.db2.gz QQLIFDJUMUMIRG-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CCOc1cc(CNC[C@@H](CC[NH+](C)C)OCC)ccc1O ZINC000297657073 404580129 /nfs/dbraw/zinc/58/01/29/404580129.db2.gz NQPRZINLWFIDLC-OAHLLOKOSA-N 1 3 310.438 2.237 20 0 DEADHO CCc1ccc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)cn1 ZINC000352781333 404616217 /nfs/dbraw/zinc/61/62/17/404616217.db2.gz YZVJPQHYGOVMBM-ROUUACIJSA-N 1 3 303.450 2.111 20 0 DEADHO CC1CCC(NC(=O)CN2CCCC3(CC[NH+](C)CC3)C2)CC1 ZINC000374073628 404685510 /nfs/dbraw/zinc/68/55/10/404685510.db2.gz BRWWSCYUCHGWQN-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000567518417 292319730 /nfs/dbraw/zinc/31/97/30/292319730.db2.gz PWMOPQWOUIUWQH-CRAIPNDOSA-N 1 3 317.477 2.203 20 0 DEADHO C[C@H]1[C@@H](NC(=O)c2ccc(Nc3ccncc3)cc2)CCC[N@@H+]1C ZINC000345313867 404671501 /nfs/dbraw/zinc/67/15/01/404671501.db2.gz HGLOIUOBXFIZDG-KSSFIOAISA-N 1 3 324.428 2.460 20 0 DEADHO C[C@H]1[C@@H](NC(=O)c2ccc(Nc3ccncc3)cc2)CCC[N@H+]1C ZINC000345313867 404671504 /nfs/dbraw/zinc/67/15/04/404671504.db2.gz HGLOIUOBXFIZDG-KSSFIOAISA-N 1 3 324.428 2.460 20 0 DEADHO CC[NH2+]CC1CCN(Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC000414655632 404702198 /nfs/dbraw/zinc/70/21/98/404702198.db2.gz DOUROUDJBJSLHM-UHFFFAOYSA-N 1 3 308.422 2.231 20 0 DEADHO [NH3+]C[C@H]1CN(Cc2cnc3ccccc3c2)CC12CCOCC2 ZINC000414775015 404730575 /nfs/dbraw/zinc/73/05/75/404730575.db2.gz GAYYHPTXZHZFGG-KRWDZBQOSA-N 1 3 311.429 2.422 20 0 DEADHO COCCOc1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000414792717 404736989 /nfs/dbraw/zinc/73/69/89/404736989.db2.gz CRWXNLOYCYAQRJ-HZPDHXFCSA-N 1 3 322.449 2.328 20 0 DEADHO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414803250 404739260 /nfs/dbraw/zinc/73/92/60/404739260.db2.gz NKDRMZVDAVNFHV-NQBHXWOUSA-N 1 3 315.259 2.141 20 0 DEADHO C[C@H](Cn1cc(Br)cn1)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414803250 404739261 /nfs/dbraw/zinc/73/92/61/404739261.db2.gz NKDRMZVDAVNFHV-NQBHXWOUSA-N 1 3 315.259 2.141 20 0 DEADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@H](C[NH3+])C1CC1 ZINC000414807894 404739703 /nfs/dbraw/zinc/73/97/03/404739703.db2.gz RRLIVQCBNOINPG-MLGOLLRUSA-N 1 3 323.868 2.404 20 0 DEADHO CC[C@@H](C)N[C@H](CNC(=O)NCC[N@H+](C)C1CC1)c1ccco1 ZINC000353111018 404744218 /nfs/dbraw/zinc/74/42/18/404744218.db2.gz JEYWMPZVSZMWCE-UKRRQHHQSA-N 1 3 322.453 2.102 20 0 DEADHO CC[C@@H](C)N[C@H](CNC(=O)NCC[N@@H+](C)C1CC1)c1ccco1 ZINC000353111018 404744221 /nfs/dbraw/zinc/74/42/21/404744221.db2.gz JEYWMPZVSZMWCE-UKRRQHHQSA-N 1 3 322.453 2.102 20 0 DEADHO CNC[C@@H](C)C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000414846250 404747927 /nfs/dbraw/zinc/74/79/27/404747927.db2.gz ULNLGAGHVYLWSE-CYBMUJFWSA-N 1 3 323.868 2.390 20 0 DEADHO C[NH2+]C[C@@H](C)CNC1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000414846250 404747931 /nfs/dbraw/zinc/74/79/31/404747931.db2.gz ULNLGAGHVYLWSE-CYBMUJFWSA-N 1 3 323.868 2.390 20 0 DEADHO COc1cc(OC)c(OC)cc1CNCC[C@@H]1CCC[NH2+]C1 ZINC000414855162 404749276 /nfs/dbraw/zinc/74/92/76/404749276.db2.gz VUNYCCHBFYMIMU-ZDUSSCGKSA-N 1 3 308.422 2.192 20 0 DEADHO C[C@H](Cn1cc(Br)cn1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414905073 404763109 /nfs/dbraw/zinc/76/31/09/404763109.db2.gz LCEAVIJCWJBCHB-YPMHNXCESA-N 1 3 315.259 2.013 20 0 DEADHO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414905073 404763112 /nfs/dbraw/zinc/76/31/12/404763112.db2.gz LCEAVIJCWJBCHB-YPMHNXCESA-N 1 3 315.259 2.013 20 0 DEADHO C[C@H]1CCNC[C@@H]1[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000414931122 404769056 /nfs/dbraw/zinc/76/90/56/404769056.db2.gz PNYRWOZTURIIBJ-LPHOPBHVSA-N 1 3 301.478 2.281 20 0 DEADHO COc1ccccc1CN1CCN(C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414695134 404710542 /nfs/dbraw/zinc/71/05/42/404710542.db2.gz ODPSKYJNACEGTN-IAGOWNOFSA-N 1 3 317.477 2.201 20 0 DEADHO Cc1nc(N2CCN(C[C@@H]3CC[NH2+][C@H](C)C3)CC2)sc1C ZINC000414711423 404714432 /nfs/dbraw/zinc/71/44/32/404714432.db2.gz SLEZIIJYZBIXIY-IUODEOHRSA-N 1 3 308.495 2.270 20 0 DEADHO CCN(CC(=O)NCc1ccc(F)cc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414728424 404718309 /nfs/dbraw/zinc/71/83/09/404718309.db2.gz CLIHZHMXXOBZRV-HOCLYGCPSA-N 1 3 321.440 2.152 20 0 DEADHO C[C@@H]1NCCC[C@@H]1[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000414958284 404775868 /nfs/dbraw/zinc/77/58/68/404775868.db2.gz RPTPYJPDHPOIGU-LPHOPBHVSA-N 1 3 301.478 2.424 20 0 DEADHO CCN1CCN(c2ccccc2CN[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414961849 404777136 /nfs/dbraw/zinc/77/71/36/404777136.db2.gz ZFDPFVMVKULCEL-SJLPKXTDSA-N 1 3 316.493 2.059 20 0 DEADHO FC(F)(F)[C@@H](CNC/C=C\c1ccccc1)N1CC[NH2+]CC1 ZINC000414966779 404778112 /nfs/dbraw/zinc/77/81/12/404778112.db2.gz DWYXCIZWPLCQKM-IJVDHGTGSA-N 1 3 313.367 2.126 20 0 DEADHO COc1cc(OC)c(CNCCC[C@@H]2CCC[NH2+]2)c(OC)c1 ZINC000414978187 404780155 /nfs/dbraw/zinc/78/01/55/404780155.db2.gz SKPLMJMOPVLVTR-CYBMUJFWSA-N 1 3 308.422 2.334 20 0 DEADHO FC1(F)Oc2cccc(CN[C@@H]3C[C@H]3C3CC[NH2+]CC3)c2O1 ZINC000415003910 404786678 /nfs/dbraw/zinc/78/66/78/404786678.db2.gz GSQAPIVUPDGMLE-QWHCGFSZSA-N 1 3 310.344 2.486 20 0 DEADHO Clc1ccccc1CN1CCC(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000415020435 404789483 /nfs/dbraw/zinc/78/94/83/404789483.db2.gz AXLMCGJCTHWZFA-QLPKVWCKSA-N 1 3 305.853 2.112 20 0 DEADHO COc1ccccc1[C@H](C[NH2+][C@@H]1CCN(C)C[C@@H]1C)N(C)C ZINC000359376310 404791929 /nfs/dbraw/zinc/79/19/29/404791929.db2.gz JIAXVOOGJRSUGL-UAGQMJEPSA-N 1 3 305.466 2.228 20 0 DEADHO COc1ccccc1[C@H](CN[C@@H]1CC[N@H+](C)C[C@@H]1C)N(C)C ZINC000359376310 404791933 /nfs/dbraw/zinc/79/19/33/404791933.db2.gz JIAXVOOGJRSUGL-UAGQMJEPSA-N 1 3 305.466 2.228 20 0 DEADHO COc1ccccc1[C@H](CN[C@@H]1CC[N@@H+](C)C[C@@H]1C)N(C)C ZINC000359376310 404791934 /nfs/dbraw/zinc/79/19/34/404791934.db2.gz JIAXVOOGJRSUGL-UAGQMJEPSA-N 1 3 305.466 2.228 20 0 DEADHO C[C@H](CC(=O)NCCc1ccccc1)N[C@@H](C[NH3+])C1CCCC1 ZINC000415073500 404801442 /nfs/dbraw/zinc/80/14/42/404801442.db2.gz ZIXWBGPCCRIHIS-QAPCUYQASA-N 1 3 317.477 2.231 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N(CCN(C)C)C(C)C ZINC000359922576 404810229 /nfs/dbraw/zinc/81/02/29/404810229.db2.gz HNINCLJEDNIFAH-HNNXBMFYSA-N 1 3 300.491 2.088 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N(CCN(C)C)C(C)C ZINC000359922576 404810231 /nfs/dbraw/zinc/81/02/31/404810231.db2.gz HNINCLJEDNIFAH-HNNXBMFYSA-N 1 3 300.491 2.088 20 0 DEADHO C[NH2+]CCCN(C)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000415133270 404816036 /nfs/dbraw/zinc/81/60/36/404816036.db2.gz MXCFEAOQHGUQCY-UHFFFAOYSA-N 1 3 318.509 2.258 20 0 DEADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000353455880 404834980 /nfs/dbraw/zinc/83/49/80/404834980.db2.gz YQVCTUOJAKAQEI-IAGOWNOFSA-N 1 3 307.482 2.099 20 0 DEADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000366961501 404883516 /nfs/dbraw/zinc/88/35/16/404883516.db2.gz JREUYDXWRKUCHG-IRXDYDNUSA-N 1 3 319.424 2.054 20 0 DEADHO O[C@@H]1CCN(Cc2cccc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)C1 ZINC000361042703 404891726 /nfs/dbraw/zinc/89/17/26/404891726.db2.gz CASXWZPQDBKEQT-IPMKNSEASA-N 1 3 315.461 2.292 20 0 DEADHO O[C@@H]1CCN(Cc2cccc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2)C1 ZINC000361042703 404891728 /nfs/dbraw/zinc/89/17/28/404891728.db2.gz CASXWZPQDBKEQT-IPMKNSEASA-N 1 3 315.461 2.292 20 0 DEADHO C[C@@H](C(=O)NC[C@@H]1CCCCN1C1CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000434447463 404898089 /nfs/dbraw/zinc/89/80/89/404898089.db2.gz ZXCDVCKYTCKTJL-IVSAIRAKSA-N 1 3 307.482 2.381 20 0 DEADHO C[C@@H](C(=O)NC[C@@H]1CCCCN1C1CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000434447463 404898093 /nfs/dbraw/zinc/89/80/93/404898093.db2.gz ZXCDVCKYTCKTJL-IVSAIRAKSA-N 1 3 307.482 2.381 20 0 DEADHO C[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)C(C)(C)n1cncn1 ZINC000377816922 404844981 /nfs/dbraw/zinc/84/49/81/404844981.db2.gz NETWHOGZXHGAMM-CQSZACIVSA-N 1 3 305.470 2.398 20 0 DEADHO C[C@@H](NC1CC[NH+](C2CCCC2)CC1)C(C)(C)n1cncn1 ZINC000377816922 404844982 /nfs/dbraw/zinc/84/49/82/404844982.db2.gz NETWHOGZXHGAMM-CQSZACIVSA-N 1 3 305.470 2.398 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000360897411 404847663 /nfs/dbraw/zinc/84/76/63/404847663.db2.gz XVPFHSKVLBPKTG-JKSUJKDBSA-N 1 3 312.502 2.090 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000360897411 404847666 /nfs/dbraw/zinc/84/76/66/404847666.db2.gz XVPFHSKVLBPKTG-JKSUJKDBSA-N 1 3 312.502 2.090 20 0 DEADHO CCCC[C@@H](N)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000353502303 404849483 /nfs/dbraw/zinc/84/94/83/404849483.db2.gz PJBLOOLWGXQCPA-GOSISDBHSA-N 1 3 317.477 2.327 20 0 DEADHO CN1CCCN(CCC[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000361164436 404954066 /nfs/dbraw/zinc/95/40/66/404954066.db2.gz QPHJLHWOWFMADQ-SFHVURJKSA-N 1 3 321.896 2.424 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000416897368 404954658 /nfs/dbraw/zinc/95/46/58/404954658.db2.gz XPTQVOSRPUPKEA-KRWDZBQOSA-N 1 3 318.465 2.065 20 0 DEADHO [NH3+]CCCN(CC1CCCC1)C(=O)NC1CCN(C2CC2)CC1 ZINC000416938466 404968023 /nfs/dbraw/zinc/96/80/23/404968023.db2.gz ZRXPWEIAJKSPOK-UHFFFAOYSA-N 1 3 322.497 2.164 20 0 DEADHO CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CCCN(C)[C@H]2C)c1 ZINC000415911958 404969652 /nfs/dbraw/zinc/96/96/52/404969652.db2.gz FLJONFIQFFSMAZ-BBRMVZONSA-N 1 3 304.438 2.400 20 0 DEADHO C[C@H](CC(=O)Nc1ccc2c(c1)CNCCO2)[C@H]1CCC[NH2+]C1 ZINC000361093891 404913012 /nfs/dbraw/zinc/91/30/12/404913012.db2.gz DEHSQASUPHTGBO-KGLIPLIRSA-N 1 3 317.433 2.133 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](CCO)C2)CC1 ZINC000353689608 404922622 /nfs/dbraw/zinc/92/26/22/404922622.db2.gz QKJMZFKOIGIZFF-KRWDZBQOSA-N 1 3 317.477 2.033 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](CCO)C2)CC1 ZINC000353689608 404922630 /nfs/dbraw/zinc/92/26/30/404922630.db2.gz QKJMZFKOIGIZFF-KRWDZBQOSA-N 1 3 317.477 2.033 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@@H](C)C[NH3+])c1ccccc1 ZINC000416840295 404930443 /nfs/dbraw/zinc/93/04/43/404930443.db2.gz LABNPYDNOIFXRH-HOCLYGCPSA-N 1 3 306.454 2.058 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000416841628 404930550 /nfs/dbraw/zinc/93/05/50/404930550.db2.gz MCGCZYPHFXGBEQ-DLBZAZTESA-N 1 3 318.465 2.106 20 0 DEADHO CC(C)[C@H]([NH3+])CNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000416849912 404935830 /nfs/dbraw/zinc/93/58/30/404935830.db2.gz YSHTWOIQYXSLJP-KGLIPLIRSA-N 1 3 324.494 2.168 20 0 DEADHO CC1CCN(CCNC(=O)N(CCC[NH3+])CC2CCCC2)CC1 ZINC000417017194 405003173 /nfs/dbraw/zinc/00/31/73/405003173.db2.gz OPPRQLXSLHQOPD-UHFFFAOYSA-N 1 3 324.513 2.269 20 0 DEADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H]2C[C@@H]2N)c1 ZINC000424141275 405019986 /nfs/dbraw/zinc/01/99/86/405019986.db2.gz GCPCRYGHUKKDEV-SJORKVTESA-N 1 3 303.450 2.272 20 0 DEADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H]2C[C@@H]2N)c1 ZINC000424141275 405019994 /nfs/dbraw/zinc/01/99/94/405019994.db2.gz GCPCRYGHUKKDEV-SJORKVTESA-N 1 3 303.450 2.272 20 0 DEADHO C[C@H](C[C@H]1COCCN1)[NH2+]CC[C@@H](C)N(C)Cc1ccccc1 ZINC000379651144 405026924 /nfs/dbraw/zinc/02/69/24/405026924.db2.gz UEXGFAVIAUKNEF-LMMKCTJWSA-N 1 3 319.493 2.254 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000417015762 405001084 /nfs/dbraw/zinc/00/10/84/405001084.db2.gz FWTXTJLZROJHTQ-DOTOQJQBSA-N 1 3 322.497 2.034 20 0 DEADHO CCOC1CC2(C1)CC[N@H+](CCCN1CCN(C(C)C)CC1)C2 ZINC000367588795 405095782 /nfs/dbraw/zinc/09/57/82/405095782.db2.gz XPYYAMLIEBYJNH-UHFFFAOYSA-N 1 3 323.525 2.294 20 0 DEADHO CCOC1CC2(C1)CC[N@@H+](CCCN1CCN(C(C)C)CC1)C2 ZINC000367588795 405095783 /nfs/dbraw/zinc/09/57/83/405095783.db2.gz XPYYAMLIEBYJNH-UHFFFAOYSA-N 1 3 323.525 2.294 20 0 DEADHO CCc1ccc(CN(C)C(=O)C[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000424289863 405059594 /nfs/dbraw/zinc/05/95/94/405059594.db2.gz CNHRYBWCZMUBNH-IAGOWNOFSA-N 1 3 303.450 2.067 20 0 DEADHO Cc1ccccc1CNC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424298258 405060778 /nfs/dbraw/zinc/06/07/78/405060778.db2.gz UGERVSRELOGYCY-INIZCTEOSA-N 1 3 315.461 2.075 20 0 DEADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@@H]3CCN(C)C(=O)C3)CC2)C1 ZINC000424331059 405070522 /nfs/dbraw/zinc/07/05/22/405070522.db2.gz SPWCNEYZWZINDR-NUJGCVRESA-N 1 3 321.509 2.488 20 0 DEADHO COc1ccccc1[C@H](C)N(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424336858 405072004 /nfs/dbraw/zinc/07/20/04/405072004.db2.gz RFTCKDRREZEERB-NUEKZKHPSA-N 1 3 319.449 2.074 20 0 DEADHO C[C@H]1CC[NH2+]CC[C@H]1NCCNC(=O)CCCc1ccccc1 ZINC000424386426 405078940 /nfs/dbraw/zinc/07/89/40/405078940.db2.gz XQVGZTDFAGNEKA-FUHWJXTLSA-N 1 3 317.477 2.103 20 0 DEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000361456288 405081977 /nfs/dbraw/zinc/08/19/77/405081977.db2.gz GSSSQRVKSABQEO-OWCLPIDISA-N 1 3 310.486 2.033 20 0 DEADHO CCOC[C@H]1CCC[C@H]1[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000354186318 405087396 /nfs/dbraw/zinc/08/73/96/405087396.db2.gz FOSOWVJENXWCFG-VQIMIIECSA-N 1 3 323.525 2.340 20 0 DEADHO C[C@@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)[C@H](C)CN1 ZINC000418141275 405113583 /nfs/dbraw/zinc/11/35/83/405113583.db2.gz KVCDCUASUSJRMX-BFYDXBDKSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1CN(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)[C@H](C)CN1 ZINC000418141275 405113585 /nfs/dbraw/zinc/11/35/85/405113585.db2.gz KVCDCUASUSJRMX-BFYDXBDKSA-N 1 3 322.497 2.175 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@H]1CCC[NH2+]C1)N(C)C ZINC000418162737 405114962 /nfs/dbraw/zinc/11/49/62/405114962.db2.gz CWNGARLUOVXXOG-VYDXJSESSA-N 1 3 318.465 2.037 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418241438 405118547 /nfs/dbraw/zinc/11/85/47/405118547.db2.gz TTYSXZFHIYHESJ-XHSDSOJGSA-N 1 3 310.486 2.066 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)NC(C)(C)CCC[NH3+] ZINC000418649300 405149234 /nfs/dbraw/zinc/14/92/34/405149234.db2.gz JAZUZFYXTXURLW-OAHLLOKOSA-N 1 3 306.454 2.066 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418623288 405141811 /nfs/dbraw/zinc/14/18/11/405141811.db2.gz NWGWOGJKIDLTDN-KRWDZBQOSA-N 1 3 324.513 2.411 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)N(CC)CCC[NH+](C)C ZINC000418643125 405146296 /nfs/dbraw/zinc/14/62/96/405146296.db2.gz BDXXJGOCJRTEFH-QGZVFWFLSA-N 1 3 320.481 2.232 20 0 DEADHO CC[C@@H]([NH3+])CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000418688172 405167219 /nfs/dbraw/zinc/16/72/19/405167219.db2.gz ATHKEDPSLWWHQR-NVXWUHKLSA-N 1 3 318.465 2.030 20 0 DEADHO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC000437127417 405184193 /nfs/dbraw/zinc/18/41/93/405184193.db2.gz QHUQKBQNWHNXMS-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC000437127417 405184197 /nfs/dbraw/zinc/18/41/97/405184197.db2.gz QHUQKBQNWHNXMS-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418758826 405196291 /nfs/dbraw/zinc/19/62/91/405196291.db2.gz CVFRILXCHCVERB-MRXNPFEDSA-N 1 3 310.486 2.036 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000418800388 405204486 /nfs/dbraw/zinc/20/44/86/405204486.db2.gz WQVMYEQOPLJXEO-IAGOWNOFSA-N 1 3 324.513 2.411 20 0 DEADHO C[C@H](CCCC[NH3+])NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000418691573 405168104 /nfs/dbraw/zinc/16/81/04/405168104.db2.gz HUGKFABPNOJPPA-AQFXKWCLSA-N 1 3 324.513 2.410 20 0 DEADHO CN1C[C@@H]2CCCN(C(=O)C[C@H](c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC000425065946 405241982 /nfs/dbraw/zinc/24/19/82/405241982.db2.gz MSJLLOLGZACSIZ-RCCFBDPRSA-N 1 3 315.461 2.232 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000439694027 405288653 /nfs/dbraw/zinc/28/86/53/405288653.db2.gz VFFKKUZCNDXGLC-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000439694027 405288655 /nfs/dbraw/zinc/28/86/55/405288655.db2.gz VFFKKUZCNDXGLC-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO O=C(NCCN1CCCCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000438577012 405251343 /nfs/dbraw/zinc/25/13/43/405251343.db2.gz MBTJKOYFZRNPIT-QGZVFWFLSA-N 1 3 307.482 2.386 20 0 DEADHO O=C(NCCN1CCCCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000438577012 405251344 /nfs/dbraw/zinc/25/13/44/405251344.db2.gz MBTJKOYFZRNPIT-QGZVFWFLSA-N 1 3 307.482 2.386 20 0 DEADHO C[C@@H](c1cccnc1)N1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420308636 405313461 /nfs/dbraw/zinc/31/34/61/405313461.db2.gz DCZWSNCRZZECOV-IRXDYDNUSA-N 1 3 302.466 2.150 20 0 DEADHO C[NH2+]CCC1CCN(CCOCC(F)(F)C(F)F)CC1 ZINC000420312969 405315291 /nfs/dbraw/zinc/31/52/91/405315291.db2.gz STKCXMAVEXLUTA-UHFFFAOYSA-N 1 3 300.340 2.225 20 0 DEADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCCCC(F)(F)F ZINC000420320281 405317507 /nfs/dbraw/zinc/31/75/07/405317507.db2.gz YSLFYNVVPOERRM-LBPRGKRZSA-N 1 3 309.376 2.039 20 0 DEADHO [NH3+]C[C@H]1CN(CCOC2CCCCCC2)CC12CCOCC2 ZINC000420325519 405320333 /nfs/dbraw/zinc/32/03/33/405320333.db2.gz IPMZVCGKNJHBEJ-INIZCTEOSA-N 1 3 310.482 2.413 20 0 DEADHO Cc1ccc(NC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420333016 405323362 /nfs/dbraw/zinc/32/33/62/405323362.db2.gz DWYPUEZDQPMTHM-CVEARBPZSA-N 1 3 301.434 2.255 20 0 DEADHO C[C@@H]1CCC[C@H](NC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)[C@H]1C ZINC000420338996 405325188 /nfs/dbraw/zinc/32/51/88/405325188.db2.gz LGDBQSQFUXREGN-WKULXVSPSA-N 1 3 321.509 2.249 20 0 DEADHO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420343185 405326467 /nfs/dbraw/zinc/32/64/67/405326467.db2.gz RKUJZBKSAOXAMF-ALYAQQCSSA-N 1 3 307.482 2.001 20 0 DEADHO C[C@H](C(=O)NCC1CCCCC1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420345964 405327382 /nfs/dbraw/zinc/32/73/82/405327382.db2.gz WZDGUTKUADYWNC-NJAFHUGGSA-N 1 3 321.509 2.393 20 0 DEADHO COc1ccc([C@@H](CN)C[N@H+](C)CCc2nccs2)cc1 ZINC000420382099 405339135 /nfs/dbraw/zinc/33/91/35/405339135.db2.gz YECKILKZQZVIBA-AWEZNQCLSA-N 1 3 305.447 2.369 20 0 DEADHO COc1ccc([C@@H](CN)C[N@@H+](C)CCc2nccs2)cc1 ZINC000420382099 405339138 /nfs/dbraw/zinc/33/91/38/405339138.db2.gz YECKILKZQZVIBA-AWEZNQCLSA-N 1 3 305.447 2.369 20 0 DEADHO C[NH+]1CCC(CCNC(=O)NCCN2CCCC(C)(C)C2)CC1 ZINC000445026924 405343505 /nfs/dbraw/zinc/34/35/05/405343505.db2.gz DAWQADBDCDFMDC-UHFFFAOYSA-N 1 3 324.513 2.140 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000440206575 405306194 /nfs/dbraw/zinc/30/61/94/405306194.db2.gz LSJLWFKQBNBCRA-HOTGVXAUSA-N 1 3 312.502 2.231 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000440206575 405306197 /nfs/dbraw/zinc/30/61/97/405306197.db2.gz LSJLWFKQBNBCRA-HOTGVXAUSA-N 1 3 312.502 2.231 20 0 DEADHO CN(C[C@@H]1CCCN1C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000420757897 405379478 /nfs/dbraw/zinc/37/94/78/405379478.db2.gz GQJLEYXNCWCANP-AWEZNQCLSA-N 1 3 310.486 2.031 20 0 DEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C[C@@H]1CCCN1C ZINC000420804643 405387735 /nfs/dbraw/zinc/38/77/35/405387735.db2.gz NRELNPSOBRFVGQ-YVSFHVDLSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C[C@@H]1CCCN1C ZINC000420804643 405387737 /nfs/dbraw/zinc/38/77/37/405387737.db2.gz NRELNPSOBRFVGQ-YVSFHVDLSA-N 1 3 324.513 2.088 20 0 DEADHO CC(C)[C@@H](COCc1ccccc1)NC[C@H](O)C[NH+]1CCCC1 ZINC000446753060 405392074 /nfs/dbraw/zinc/39/20/74/405392074.db2.gz RGPNACNJNHFGMQ-RBUKOAKNSA-N 1 3 320.477 2.274 20 0 DEADHO COc1cc2c(cc1CNCC1CC[NH+](C3CC3)CC1)OCO2 ZINC000446890878 405396069 /nfs/dbraw/zinc/39/60/69/405396069.db2.gz QJEQXMVDHUNDLR-UHFFFAOYSA-N 1 3 318.417 2.388 20 0 DEADHO CN(C[C@H]1CCCN1C)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000420913518 405403590 /nfs/dbraw/zinc/40/35/90/405403590.db2.gz JKYRSIQXRIKNOS-SJORKVTESA-N 1 3 324.513 2.233 20 0 DEADHO CCC(=O)CCCN1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420976472 405418798 /nfs/dbraw/zinc/41/87/98/405418798.db2.gz HBALOTAXENERRX-UHFFFAOYSA-N 1 3 309.498 2.238 20 0 DEADHO CCCCOCCN1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420977425 405418861 /nfs/dbraw/zinc/41/88/61/405418861.db2.gz ICGRFAFGVNGVFG-UHFFFAOYSA-N 1 3 311.514 2.295 20 0 DEADHO CCCCOCCN1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420977425 405418866 /nfs/dbraw/zinc/41/88/66/405418866.db2.gz ICGRFAFGVNGVFG-UHFFFAOYSA-N 1 3 311.514 2.295 20 0 DEADHO C[C@H](N[C@H](CO)CC(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000429455968 405431376 /nfs/dbraw/zinc/43/13/76/405431376.db2.gz SLNFIAJZRAYENT-JSGCOSHPSA-N 1 3 316.392 2.294 20 0 DEADHO C[C@@H]1CCC[C@]1(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000448836228 405453787 /nfs/dbraw/zinc/45/37/87/405453787.db2.gz PAYFIYBKRIBCEG-BEFAXECRSA-N 1 3 321.509 2.488 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@@H]3CC[C@@H]4C[C@@H]43)CC2)CC1 ZINC000448836277 405454524 /nfs/dbraw/zinc/45/45/24/405454524.db2.gz PDQYJYNXMMQSRZ-VKJFTORMSA-N 1 3 319.493 2.097 20 0 DEADHO CN1CCC[C@H](CNC(=O)CC[NH2+]C2CC2)[C@H]1c1cccs1 ZINC000577625686 405483239 /nfs/dbraw/zinc/48/32/39/405483239.db2.gz PLRWHJLNFSWCRG-DYVFJYSZSA-N 1 3 321.490 2.389 20 0 DEADHO C[C@H](CC(=O)NC[C@H](C)N1CCCC[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000430767102 405504448 /nfs/dbraw/zinc/50/44/48/405504448.db2.gz YYDJKFUFVMDLPB-WCXIOVBPSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]([NH3+])C1CCN([C@@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000430936559 405535567 /nfs/dbraw/zinc/53/55/67/405535567.db2.gz ZPPKGUIOVKFIEQ-CABCVRRESA-N 1 3 303.450 2.093 20 0 DEADHO C[C@@H](C(=O)NC1CC[NH+](C2CCC2)CC1)N1CCCCCC1 ZINC000456682538 405550307 /nfs/dbraw/zinc/55/03/07/405550307.db2.gz KHLOWEQDWRAPHG-HNNXBMFYSA-N 1 3 307.482 2.384 20 0 DEADHO CO[C@@H](CNC1CC[NH+](C[C@H]2CCOC2)CC1)C1CCCC1 ZINC000638669837 405607134 /nfs/dbraw/zinc/60/71/34/405607134.db2.gz VWROLJKOPDUMDN-QAPCUYQASA-N 1 3 310.482 2.282 20 0 DEADHO C[C@@]1([NH3+])CCCC[C@H]1C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000638672242 405609125 /nfs/dbraw/zinc/60/91/25/405609125.db2.gz UAGVJXCHOXGJHC-WMLDXEAASA-N 1 3 303.406 2.015 20 0 DEADHO C[NH+]1CCC(O)(CNCc2cc(Cl)cc(Cl)c2N)CC1 ZINC000638682529 405615261 /nfs/dbraw/zinc/61/52/61/405615261.db2.gz XLSUHPIIAAUFCK-UHFFFAOYSA-N 1 3 318.248 2.122 20 0 DEADHO C[C@@H](CNC1CC[NH+](CC(C)(C)O)CC1)Oc1ccc(F)cc1 ZINC000638700783 405625380 /nfs/dbraw/zinc/62/53/80/405625380.db2.gz LOUWBJDGPHEXPD-AWEZNQCLSA-N 1 3 324.440 2.418 20 0 DEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000635872342 405571028 /nfs/dbraw/zinc/57/10/28/405571028.db2.gz NPXBEWPFEHSFCM-OAHLLOKOSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCNC(=O)/C=C\c1ccccc1 ZINC000493824796 405576487 /nfs/dbraw/zinc/57/64/87/405576487.db2.gz ZXCTVVRJGSYVGT-XAHAPAGGSA-N 1 3 315.461 2.184 20 0 DEADHO OCc1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000638749213 405649285 /nfs/dbraw/zinc/64/92/85/405649285.db2.gz KRKXTJYPFRPEAB-RTBURBONSA-N 1 3 318.461 2.036 20 0 DEADHO Cc1cc(N2CCC([NH2+][C@H]3CCCC[C@@H]3CN)CC2)nc(C)n1 ZINC000422840231 405686557 /nfs/dbraw/zinc/68/65/57/405686557.db2.gz SJDCQTMQMMCHBG-WBVHZDCISA-N 1 3 317.481 2.169 20 0 DEADHO CC[C@@H](NC1CCN(Cc2ccccn2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422894786 405691481 /nfs/dbraw/zinc/69/14/81/405691481.db2.gz DHSGEILFHPPCHN-MSOLQXFVSA-N 1 3 302.466 2.166 20 0 DEADHO CC(C)[C@](C)(O)CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422982025 405693626 /nfs/dbraw/zinc/69/36/26/405693626.db2.gz VESPDGQPKFZVKA-CGTJXYLNSA-N 1 3 304.434 2.239 20 0 DEADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000422954725 405693741 /nfs/dbraw/zinc/69/37/41/405693741.db2.gz IDWMDGCGDBFSSX-DOTOQJQBSA-N 1 3 315.461 2.334 20 0 DEADHO C[C@H](c1ccncc1)N1CCC([NH2+][C@H]2CNCC[C@H]2C)CC1 ZINC000422963205 405693909 /nfs/dbraw/zinc/69/39/09/405693909.db2.gz FHOBCDCVOAPMNL-RKVPGOIHSA-N 1 3 302.466 2.195 20 0 DEADHO C[C@H](c1ccncc1)N1CCC(N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422963205 405693911 /nfs/dbraw/zinc/69/39/11/405693911.db2.gz FHOBCDCVOAPMNL-RKVPGOIHSA-N 1 3 302.466 2.195 20 0 DEADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCCCCS(C)(=O)=O ZINC000423058995 405697259 /nfs/dbraw/zinc/69/72/59/405697259.db2.gz DRHARXDRGIYHQY-HUUCEWRRSA-N 1 3 304.500 2.102 20 0 DEADHO Cc1ccc(OC(F)F)c([C@H](C)NCCN2CC[NH2+]CC2)c1 ZINC000423211133 405724534 /nfs/dbraw/zinc/72/45/34/405724534.db2.gz YBZJHSNKIBIZPD-ZDUSSCGKSA-N 1 3 313.392 2.152 20 0 DEADHO Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H](N)C(C)C)cc1 ZINC000423277119 405745409 /nfs/dbraw/zinc/74/54/09/405745409.db2.gz PGCFGXGXLFGBOF-SJORKVTESA-N 1 3 301.438 2.291 20 0 DEADHO CN(C)Cc1ccc(C(=O)NCCCC[N@H+](C)C2CC2)cc1 ZINC000457213394 405754985 /nfs/dbraw/zinc/75/49/85/405754985.db2.gz YWVPABWVEFPYBH-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO CN(C)Cc1ccc(C(=O)NCCCC[N@@H+](C)C2CC2)cc1 ZINC000457213394 405754988 /nfs/dbraw/zinc/75/49/88/405754988.db2.gz YWVPABWVEFPYBH-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO C[C@H](N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)[C@H]1CCOC1 ZINC000423364928 405777892 /nfs/dbraw/zinc/77/78/92/405777892.db2.gz KFCADVYSOJTVCS-PLNCSYRRSA-N 1 3 310.388 2.425 20 0 DEADHO C[C@H](N[C@H]1CC[NH2+][C@H](C)C1)c1cccc(OCCN(C)C)c1 ZINC000423372744 405782307 /nfs/dbraw/zinc/78/23/07/405782307.db2.gz IRGKJYSILSZGIZ-VYDXJSESSA-N 1 3 305.466 2.418 20 0 DEADHO C[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)cc1 ZINC000423400965 405791669 /nfs/dbraw/zinc/79/16/69/405791669.db2.gz XMEMOWFRNHKFQO-FZMZJTMJSA-N 1 3 319.346 2.312 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000530584880 405830039 /nfs/dbraw/zinc/83/00/39/405830039.db2.gz QYXUHFVZLTZMAG-QGZVFWFLSA-N 1 3 310.401 2.071 20 0 DEADHO C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000530584880 405830042 /nfs/dbraw/zinc/83/00/42/405830042.db2.gz QYXUHFVZLTZMAG-QGZVFWFLSA-N 1 3 310.401 2.071 20 0 DEADHO C[C@@H]1C[C@@H]([NH3+])CCN1CCC(=O)NCc1ccccc1Cl ZINC000584060942 405818562 /nfs/dbraw/zinc/81/85/62/405818562.db2.gz LQFVGLSDZMUARW-OCCSQVGLSA-N 1 3 309.841 2.158 20 0 DEADHO C[C@H](N[C@@H]1CNCCC1(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423477642 405819383 /nfs/dbraw/zinc/81/93/83/405819383.db2.gz KGBXJAKTHJXGML-USXIJHARSA-N 1 3 323.431 2.484 20 0 DEADHO C[C@H](N[C@@H]1CNCCC1(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423477642 405819389 /nfs/dbraw/zinc/81/93/89/405819389.db2.gz KGBXJAKTHJXGML-USXIJHARSA-N 1 3 323.431 2.484 20 0 DEADHO C[C@@H]1CN(CCC[NH2+]C2CCN(C(C)(C)C)CC2)CCCO1 ZINC000432421544 405764716 /nfs/dbraw/zinc/76/47/16/405764716.db2.gz PRECGTINANAEKJ-MRXNPFEDSA-N 1 3 311.514 2.340 20 0 DEADHO N[C@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)C1CCC1 ZINC000423352357 405772154 /nfs/dbraw/zinc/77/21/54/405772154.db2.gz KHESAUUZGMKIFT-KRWDZBQOSA-N 1 3 301.434 2.391 20 0 DEADHO CC(C)(O)CN1CCC([NH2+][C@H]2CCOc3c(F)cccc32)CC1 ZINC000639091697 405876590 /nfs/dbraw/zinc/87/65/90/405876590.db2.gz VIXUZELBRNFUII-INIZCTEOSA-N 1 3 322.424 2.474 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(-n2cncn2)c(F)c1 ZINC000560961437 405881910 /nfs/dbraw/zinc/88/19/10/405881910.db2.gz QLQBIQLPOCFXRM-ZFWWWQNUSA-N 1 3 303.385 2.014 20 0 DEADHO CC1CCN(CCNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000561146056 405894345 /nfs/dbraw/zinc/89/43/45/405894345.db2.gz OMMCELWUNHMJJH-UHFFFAOYSA-N 1 3 317.477 2.252 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000561159695 405898270 /nfs/dbraw/zinc/89/82/70/405898270.db2.gz RRHAZXKMIDCKNL-JKSUJKDBSA-N 1 3 310.486 2.068 20 0 DEADHO CN(C)CC(C)(C)NC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000457492216 405865612 /nfs/dbraw/zinc/86/56/12/405865612.db2.gz CEWUIRTYVJFJID-UHFFFAOYSA-N 1 3 312.502 2.280 20 0 DEADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)[C@@H]2C[C@H](C)CCN2)C1 ZINC000423729802 405930596 /nfs/dbraw/zinc/93/05/96/405930596.db2.gz OJBBXRSNMABKAW-MTSZKFMLSA-N 1 3 307.482 2.238 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)C1CC[NH+](C)CC1 ZINC000531288810 405938035 /nfs/dbraw/zinc/93/80/35/405938035.db2.gz VIWYBLNILPPRHS-UHFFFAOYSA-N 1 3 305.422 2.037 20 0 DEADHO CC(C)(C[NH3+])C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000423748887 405944631 /nfs/dbraw/zinc/94/46/31/405944631.db2.gz QXMQGBDURUBFQK-UHFFFAOYSA-N 1 3 317.477 2.138 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000423777051 405960583 /nfs/dbraw/zinc/96/05/83/405960583.db2.gz OMDRMSABPFMFJI-LEUOFYLZSA-N 1 3 315.461 2.011 20 0 DEADHO NC(=O)[C@@H]1CCC[N@H+](CCCNCCc2ccc(Cl)cc2)C1 ZINC000459430800 405902081 /nfs/dbraw/zinc/90/20/81/405902081.db2.gz QXEOVOTYROXZEN-OAHLLOKOSA-N 1 3 323.868 2.060 20 0 DEADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNCCc2ccc(Cl)cc2)C1 ZINC000459430800 405902087 /nfs/dbraw/zinc/90/20/87/405902087.db2.gz QXEOVOTYROXZEN-OAHLLOKOSA-N 1 3 323.868 2.060 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](C)[C@H](C)C3)CC2)CC1 ZINC000561269107 405914884 /nfs/dbraw/zinc/91/48/84/405914884.db2.gz DTLOSEMLODNUQH-HZPDHXFCSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C(C)(C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000568851799 292371587 /nfs/dbraw/zinc/37/15/87/292371587.db2.gz GTHNKNMWMJSZAO-UHFFFAOYSA-N 1 3 324.513 2.279 20 0 DEADHO CCN(CCC[NH+](CC)CC)C(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000423792921 405970406 /nfs/dbraw/zinc/97/04/06/405970406.db2.gz ZROTVOLQZBDYQP-KRWDZBQOSA-N 1 3 323.456 2.448 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000562365062 405993597 /nfs/dbraw/zinc/99/35/97/405993597.db2.gz HHZMWGVUWNLHOP-KRWDZBQOSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000562365062 405993602 /nfs/dbraw/zinc/99/36/02/405993602.db2.gz HHZMWGVUWNLHOP-KRWDZBQOSA-N 1 3 307.482 2.192 20 0 DEADHO Cc1ncc2c(n1)CC[C@H](NC1CC[NH+](CC3CC3)CC1)C2 ZINC000531690968 405994978 /nfs/dbraw/zinc/99/49/78/405994978.db2.gz PCXLWOMDBWEPEU-KRWDZBQOSA-N 1 3 300.450 2.106 20 0 DEADHO COc1cc2c(cc1CNCC[C@@H]1CCC[N@H+](C)C1)OCO2 ZINC000459796801 406050823 /nfs/dbraw/zinc/05/08/23/406050823.db2.gz WIXMFKQZZWESIE-ZDUSSCGKSA-N 1 3 306.406 2.245 20 0 DEADHO COc1cc2c(cc1CNCC[C@@H]1CCC[N@@H+](C)C1)OCO2 ZINC000459796801 406050831 /nfs/dbraw/zinc/05/08/31/406050831.db2.gz WIXMFKQZZWESIE-ZDUSSCGKSA-N 1 3 306.406 2.245 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@H](c1cccs1)N1CCCC1 ZINC000567641083 406110786 /nfs/dbraw/zinc/11/07/86/406110786.db2.gz AEMWSTPUZQJCHK-CAOSSQGBSA-N 1 3 323.506 2.227 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCCN(C)C1 ZINC000533485775 406147248 /nfs/dbraw/zinc/14/72/48/406147248.db2.gz OAKQRJGZTWJHGI-IAGOWNOFSA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCCN(C)C1 ZINC000533485775 406147255 /nfs/dbraw/zinc/14/72/55/406147255.db2.gz OAKQRJGZTWJHGI-IAGOWNOFSA-N 1 3 324.513 2.138 20 0 DEADHO [NH3+]C[C@H](NC(=O)NC[C@@H]1CCCCN1C1CC1)C1CCCCC1 ZINC000568966197 292379986 /nfs/dbraw/zinc/37/99/86/292379986.db2.gz BQNNZUWDUHGTNX-IRXDYDNUSA-N 1 3 322.497 2.210 20 0 DEADHO CN(C)C(=O)c1cccc(CN2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639758281 406238061 /nfs/dbraw/zinc/23/80/61/406238061.db2.gz SPQMTICKPPJCAJ-UHFFFAOYSA-N 1 3 315.461 2.306 20 0 DEADHO CC1(C)CNCC[C@H]([NH2+]C2CCN(Cc3ccncc3)CC2)C1 ZINC000634732665 406252605 /nfs/dbraw/zinc/25/26/05/406252605.db2.gz LQPVBRHHLJBYNE-SFHVURJKSA-N 1 3 316.493 2.414 20 0 DEADHO CC1(C)CNCC[C@@H]([NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000634734115 406254492 /nfs/dbraw/zinc/25/44/92/406254492.db2.gz XEGDDIOLIUQWDK-CQSZACIVSA-N 1 3 308.495 2.480 20 0 DEADHO CCN1CCCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000637372947 406285084 /nfs/dbraw/zinc/28/50/84/406285084.db2.gz MHEWKUWGXVKASE-QGZVFWFLSA-N 1 3 322.497 2.131 20 0 DEADHO CCN1CCCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000637372947 406285085 /nfs/dbraw/zinc/28/50/85/406285085.db2.gz MHEWKUWGXVKASE-QGZVFWFLSA-N 1 3 322.497 2.131 20 0 DEADHO CC(C)[C@H]1C[C@H](NC[C@@H](O)C[NH+]2CCC(C)CC2)CS1 ZINC000488422979 406318150 /nfs/dbraw/zinc/31/81/50/406318150.db2.gz AMZJTIUUBBXCAV-ARFHVFGLSA-N 1 3 300.512 2.199 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)CC1CC[NH+](C)CC1 ZINC000488426998 406319313 /nfs/dbraw/zinc/31/93/13/406319313.db2.gz JBJGZOMMMYXRDJ-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC000488448449 406320818 /nfs/dbraw/zinc/32/08/18/406320818.db2.gz ZSDJYYMZDNDCKZ-INIZCTEOSA-N 1 3 303.450 2.352 20 0 DEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC000488448449 406320823 /nfs/dbraw/zinc/32/08/23/406320823.db2.gz ZSDJYYMZDNDCKZ-INIZCTEOSA-N 1 3 303.450 2.352 20 0 DEADHO CC[NH+](CC)C[C@H](C)NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000488562690 406330709 /nfs/dbraw/zinc/33/07/09/406330709.db2.gz SGGFWSMTVGULQC-CVEARBPZSA-N 1 3 324.513 2.233 20 0 DEADHO Cc1ccnc(-c2nnc([C@@H](C)[NH2+]C3CCC(C[NH3+])CC3)[n-]2)c1 ZINC000521423792 406346368 /nfs/dbraw/zinc/34/63/68/406346368.db2.gz UZNOJTQMKRCMMV-IYXRBSQSSA-N 1 3 314.437 2.343 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc2c(c1)CNC2 ZINC000520543448 406300561 /nfs/dbraw/zinc/30/05/61/406300561.db2.gz PPOVSHBTVWZBBR-INIZCTEOSA-N 1 3 302.422 2.286 20 0 DEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc2c(c1)CNC2 ZINC000520543448 406300565 /nfs/dbraw/zinc/30/05/65/406300565.db2.gz PPOVSHBTVWZBBR-INIZCTEOSA-N 1 3 302.422 2.286 20 0 DEADHO C[C@H](C[N@@H+]1CC[C@@H](n2cc(CN)nn2)C1)c1cccc(Cl)c1 ZINC000635000011 406393775 /nfs/dbraw/zinc/39/37/75/406393775.db2.gz FGAUBBHZEWUIFH-MLGOLLRUSA-N 1 3 319.840 2.441 20 0 DEADHO C[C@H](C[N@H+]1CC[C@@H](n2cc(CN)nn2)C1)c1cccc(Cl)c1 ZINC000635000011 406393776 /nfs/dbraw/zinc/39/37/76/406393776.db2.gz FGAUBBHZEWUIFH-MLGOLLRUSA-N 1 3 319.840 2.441 20 0 DEADHO C[C@H](CC1CCOCC1)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635006947 406397793 /nfs/dbraw/zinc/39/77/93/406397793.db2.gz COUZMTXANHQPBF-CQSZACIVSA-N 1 3 304.438 2.108 20 0 DEADHO CCO[C@@H]1C[C@H](Nc2cc(N3CCNCC3)cc[nH+]2)C1(C)C ZINC000635010531 406398114 /nfs/dbraw/zinc/39/81/14/406398114.db2.gz SWHBQJNBQAJBFD-LSDHHAIUSA-N 1 3 304.438 2.107 20 0 DEADHO C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@H]1NCCc2ccccc21 ZINC000570278871 406371297 /nfs/dbraw/zinc/37/12/97/406371297.db2.gz RIQIPNJOWKLZHX-FUHWJXTLSA-N 1 3 315.461 2.254 20 0 DEADHO C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@H]1NCCc2ccccc21 ZINC000570278871 406371300 /nfs/dbraw/zinc/37/13/00/406371300.db2.gz RIQIPNJOWKLZHX-FUHWJXTLSA-N 1 3 315.461 2.254 20 0 DEADHO Cc1ccccc1OC[C@@H](O)C[NH2+]C1CCN(CC(C)C)CC1 ZINC000571074118 406474712 /nfs/dbraw/zinc/47/47/12/406474712.db2.gz HRYKOTPYLNEUCV-SFHVURJKSA-N 1 3 320.477 2.445 20 0 DEADHO [NH3+]C[C@H](NC(=O)NCCN1CCC2(CCCCC2)CC1)C1CC1 ZINC000571269046 406499562 /nfs/dbraw/zinc/49/95/62/406499562.db2.gz MEAZDJPENWGQEP-INIZCTEOSA-N 1 3 322.497 2.069 20 0 DEADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000635267899 406481278 /nfs/dbraw/zinc/48/12/78/406481278.db2.gz UVMWJEXTRJFVEV-MSOLQXFVSA-N 1 3 315.461 2.109 20 0 DEADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000635267899 406481283 /nfs/dbraw/zinc/48/12/83/406481283.db2.gz UVMWJEXTRJFVEV-MSOLQXFVSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCC2([NH3+])CCC2)C1 ZINC000571147962 406482974 /nfs/dbraw/zinc/48/29/74/406482974.db2.gz DXPGGGJUTBDVSQ-HOCLYGCPSA-N 1 3 316.449 2.003 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)N(C)CCC[NH3+])CCN1Cc1ccccc1 ZINC000571626092 406544358 /nfs/dbraw/zinc/54/43/58/406544358.db2.gz SMXMBVZGBORWAO-RDJZCZTQSA-N 1 3 318.465 2.030 20 0 DEADHO CC(C)CC[C@@H](N)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000638063444 406551396 /nfs/dbraw/zinc/55/13/96/406551396.db2.gz NHICJMASPHIOHY-QGZVFWFLSA-N 1 3 321.465 2.007 20 0 DEADHO CO[C@@]1(CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CCOC1 ZINC000638067729 406553561 /nfs/dbraw/zinc/55/35/61/406553561.db2.gz UIZMKETYOZTPCZ-RTBURBONSA-N 1 3 318.461 2.246 20 0 DEADHO CO[C@@]1(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCOC1 ZINC000638067729 406553562 /nfs/dbraw/zinc/55/35/62/406553562.db2.gz UIZMKETYOZTPCZ-RTBURBONSA-N 1 3 318.461 2.246 20 0 DEADHO C[C@@H]1C[C@H]([NH3+])CCN1CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000571696799 406554664 /nfs/dbraw/zinc/55/46/64/406554664.db2.gz OYMUGELBCFPGDY-KYJSFNMBSA-N 1 3 315.461 2.382 20 0 DEADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)Cc1ccco1 ZINC000571431315 406520531 /nfs/dbraw/zinc/52/05/31/406520531.db2.gz VUFYNGNEYCGYJK-DZJNRPSUSA-N 1 3 306.450 2.331 20 0 DEADHO C[C@@H]1CCN(C)CCN1C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000572132945 406611451 /nfs/dbraw/zinc/61/14/51/406611451.db2.gz SHSBUCSDBHWVJK-SJLPKXTDSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@@H]1CCN(C)CCN1C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000572132945 406611454 /nfs/dbraw/zinc/61/14/54/406611454.db2.gz SHSBUCSDBHWVJK-SJLPKXTDSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000635527567 406576404 /nfs/dbraw/zinc/57/64/04/406576404.db2.gz KCNFOYXLUIYLLP-HZSPNIEDSA-N 1 3 322.478 2.016 20 0 DEADHO CN1CCC[C@H](CNC(=O)C2=CC[C@H]([NH3+])C2)[C@H]1c1cccs1 ZINC000638123476 406582537 /nfs/dbraw/zinc/58/25/37/406582537.db2.gz ORFCSJUILFVMAY-YCPHGPKFSA-N 1 3 319.474 2.295 20 0 DEADHO COCC[N@H+](C)CCCC1CCN(Cc2ccc(=O)[nH]c2)CC1 ZINC000638131596 406586710 /nfs/dbraw/zinc/58/67/10/406586710.db2.gz LKUCTSXRCJAPBP-UHFFFAOYSA-N 1 3 321.465 2.358 20 0 DEADHO COCC[N@@H+](C)CCCC1CCN(Cc2ccc(=O)[nH]c2)CC1 ZINC000638131596 406586716 /nfs/dbraw/zinc/58/67/16/406586716.db2.gz LKUCTSXRCJAPBP-UHFFFAOYSA-N 1 3 321.465 2.358 20 0 DEADHO CO[C@@H](CN1CC[C@H](C[N@H+](C)CC2CC2)C1)C1CCOCC1 ZINC000638134675 406587461 /nfs/dbraw/zinc/58/74/61/406587461.db2.gz PXYSJYSBXOQSCA-AEFFLSMTSA-N 1 3 310.482 2.092 20 0 DEADHO CO[C@@H](CN1CC[C@H](C[N@@H+](C)CC2CC2)C1)C1CCOCC1 ZINC000638134675 406587465 /nfs/dbraw/zinc/58/74/65/406587465.db2.gz PXYSJYSBXOQSCA-AEFFLSMTSA-N 1 3 310.482 2.092 20 0 DEADHO CC(C)NC(=O)NCCN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000645838951 406659885 /nfs/dbraw/zinc/65/98/85/406659885.db2.gz VGJHVJDBEWGRCW-UHFFFAOYSA-N 1 3 324.513 2.282 20 0 DEADHO CC[NH2+][C@H](C)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000638273881 406664351 /nfs/dbraw/zinc/66/43/51/406664351.db2.gz BWTGAXCXEVPIBE-QGZVFWFLSA-N 1 3 317.477 2.152 20 0 DEADHO COc1cc(C[C@@H](C)NC2CC[NH+](CC3CC3)CC2)ccn1 ZINC000638383969 406739424 /nfs/dbraw/zinc/73/94/24/406739424.db2.gz PXYTXPYVLBATPF-CQSZACIVSA-N 1 3 303.450 2.485 20 0 DEADHO C[C@H]1CCCC[C@@H]1OCCNC1CC[NH+](CC(C)(C)O)CC1 ZINC000638366682 406727366 /nfs/dbraw/zinc/72/73/66/406727366.db2.gz KFSHFFVZRNXMJD-RDJZCZTQSA-N 1 3 312.498 2.407 20 0 DEADHO COc1ccc(CN2CC[C@@H]2CN[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000527972360 406802301 /nfs/dbraw/zinc/80/23/01/406802301.db2.gz WPXSSOCDYZGFAC-BPQIPLTHSA-N 1 3 317.477 2.342 20 0 DEADHO COc1ccc(CN2CC[C@@H]2CN[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000527972360 406802308 /nfs/dbraw/zinc/80/23/08/406802308.db2.gz WPXSSOCDYZGFAC-BPQIPLTHSA-N 1 3 317.477 2.342 20 0 DEADHO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000646139629 406795724 /nfs/dbraw/zinc/79/57/24/406795724.db2.gz IFSKPZHWUXSSDA-DOTOQJQBSA-N 1 3 317.477 2.081 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000646222242 406820102 /nfs/dbraw/zinc/82/01/02/406820102.db2.gz AXVUKQFCNUKBTQ-XYPHTWIQSA-N 1 3 301.434 2.066 20 0 DEADHO C[NH2+]C[C@@H](C)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000646408656 406858881 /nfs/dbraw/zinc/85/88/81/406858881.db2.gz AIZAWLGWOKMWPQ-WBVHZDCISA-N 1 3 303.450 2.185 20 0 DEADHO [NH3+]CCCCC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000646410095 406859650 /nfs/dbraw/zinc/85/96/50/406859650.db2.gz QJJNYBFEHXWDDD-KRWDZBQOSA-N 1 3 303.450 2.459 20 0 DEADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000641803780 406896201 /nfs/dbraw/zinc/89/62/01/406896201.db2.gz HMPNJUXCUQBFAF-BBWFWOEESA-N 1 3 315.461 2.286 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)N(C)CCCC[NH+]2CCCCC2)CCN1C ZINC000641809708 406898901 /nfs/dbraw/zinc/89/89/01/406898901.db2.gz UKWZVNYLWMJXAN-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO CCc1nc(C)c(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)o1 ZINC000641823575 406901807 /nfs/dbraw/zinc/90/18/07/406901807.db2.gz SBZWHVZNGAQZHP-RRFJBIMHSA-N 1 3 307.438 2.406 20 0 DEADHO CC(C)[C@H]([NH3+])CCN(C)Cc1ccc(OCCN(C)C)cc1 ZINC000647506230 407008608 /nfs/dbraw/zinc/00/86/08/407008608.db2.gz VEKSBIYKUODHAM-GOSISDBHSA-N 1 3 307.482 2.432 20 0 DEADHO O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)NCC1CCCCC1 ZINC000647975132 407091633 /nfs/dbraw/zinc/09/16/33/407091633.db2.gz MJDDECWEJSZCFI-ROUUACIJSA-N 1 3 321.509 2.395 20 0 DEADHO C[C@H](C(=O)NC1CCCC1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976433 407091899 /nfs/dbraw/zinc/09/18/99/407091899.db2.gz OKCYELKJXISNOW-PMPSAXMXSA-N 1 3 307.482 2.145 20 0 DEADHO COc1ccccc1[C@@H]1CCCCN1CCN1CC[NH2+]CC1 ZINC000647884373 407067656 /nfs/dbraw/zinc/06/76/56/407067656.db2.gz IAPXUEYXSUPPFR-KRWDZBQOSA-N 1 3 303.450 2.127 20 0 DEADHO COCCCN(CCc1ccc(OC)cc1)C[C@@H]1CC[NH2+]C1 ZINC000647885973 407068014 /nfs/dbraw/zinc/06/80/14/407068014.db2.gz WYGOZEBRUPEQBC-QGZVFWFLSA-N 1 3 306.450 2.186 20 0 DEADHO CC[C@H]1CN(CCC(=O)N2CCc3ccccc32)CC[C@H]1[NH3+] ZINC000647938449 407080353 /nfs/dbraw/zinc/08/03/53/407080353.db2.gz NKBJQDOLDIJADR-GOEBONIOSA-N 1 3 301.434 2.025 20 0 DEADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCc2ccccc2[C@H]1CN ZINC000648199105 407136920 /nfs/dbraw/zinc/13/69/20/407136920.db2.gz QSUBJABUOPDIJN-HZPDHXFCSA-N 1 3 303.450 2.095 20 0 DEADHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)COc2ccc(C)cc2C)C1 ZINC000644530204 407137374 /nfs/dbraw/zinc/13/73/74/407137374.db2.gz WIOBJUFEUDTHPT-ROUUACIJSA-N 1 3 320.477 2.365 20 0 DEADHO C[C@H](NC[C@@H](O)COCc1ccccc1)C(C)(C)C[NH+](C)C ZINC000644574207 407144741 /nfs/dbraw/zinc/14/47/41/407144741.db2.gz URQJXXABPFQCDG-DOTOQJQBSA-N 1 3 308.466 2.130 20 0 DEADHO CC[C@@H](C)N[C@@H](CNC(=O)N(C)CC(C)(C)C[NH3+])c1ccco1 ZINC000418169895 286785712 /nfs/dbraw/zinc/78/57/12/286785712.db2.gz QUOVOLOWLVDFMZ-KGLIPLIRSA-N 1 3 324.469 2.335 20 0 DEADHO CCCN(C(=O)NC1CC[NH+](CC(C)C)CC1)[C@@H]1CCN(C)C1 ZINC000645144498 407237782 /nfs/dbraw/zinc/23/77/82/407237782.db2.gz JSFFZWPPDUBAPP-QGZVFWFLSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CC2([NH3+])CCC2)C1 ZINC000645693293 407297144 /nfs/dbraw/zinc/29/71/44/407297144.db2.gz OXKLGECBHVCXIX-HOCLYGCPSA-N 1 3 301.434 2.210 20 0 DEADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccc(CN(C)C)cc1 ZINC000416880834 286917370 /nfs/dbraw/zinc/91/73/70/286917370.db2.gz GUEDASNPAGJYEM-PBHICJAKSA-N 1 3 318.465 2.160 20 0 DEADHO C[C@@H]1CC[C@H](C)N1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000131659069 196189296 /nfs/dbraw/zinc/18/92/96/196189296.db2.gz ONASORXMYINTJE-GASCZTMLSA-N 1 3 322.497 2.127 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000290116513 287318351 /nfs/dbraw/zinc/31/83/51/287318351.db2.gz YXZZYTPGJARQCB-ULQDDVLXSA-N 1 3 303.450 2.102 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000353466486 287318399 /nfs/dbraw/zinc/31/83/99/287318399.db2.gz HEWWLLWZUQQLFJ-BZSNNMDCSA-N 1 3 315.461 2.328 20 0 DEADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H](CN)c1ccccc1 ZINC000430894111 287391060 /nfs/dbraw/zinc/39/10/60/287391060.db2.gz LOKLMXRPVUQCQC-BFYDXBDKSA-N 1 3 303.450 2.108 20 0 DEADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262364642 287391134 /nfs/dbraw/zinc/39/11/34/287391134.db2.gz KVVFMQAXPSRRTQ-XLMAVXFVSA-N 1 3 307.482 2.145 20 0 DEADHO NC(=O)C1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411146392 227345338 /nfs/dbraw/zinc/34/53/38/227345338.db2.gz FNEFIMLAJPWIJV-UHFFFAOYSA-N 1 3 315.461 2.370 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000418094247 229217468 /nfs/dbraw/zinc/21/74/68/229217468.db2.gz DNBACZFPEHKTMX-SOUVJXGZSA-N 1 3 310.486 2.018 20 0 DEADHO C[C@H](NC(=O)NC1(C)CC[NH2+]CC1)[C@H](c1ccccc1)N(C)C ZINC000418175445 229256050 /nfs/dbraw/zinc/25/60/50/229256050.db2.gz FVWWWDCKKNHYMD-GOEBONIOSA-N 1 3 318.465 2.119 20 0 DEADHO C[C@H](NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC000418190478 229261372 /nfs/dbraw/zinc/26/13/72/229261372.db2.gz WHKPKHQSRPUHTJ-YALNPMBYSA-N 1 3 318.465 2.118 20 0 DEADHO C[NH+](C)CCCC(C)(C)NC(=O)NC[C@@H](N)c1ccccc1 ZINC000418446290 229352619 /nfs/dbraw/zinc/35/26/19/229352619.db2.gz HZMJKBGJFSIJPM-OAHLLOKOSA-N 1 3 306.454 2.106 20 0 DEADHO N[C@H](C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)C1CCC1 ZINC000422534543 230139703 /nfs/dbraw/zinc/13/97/03/230139703.db2.gz BEMPXUHPTKAONG-LBPRGKRZSA-N 1 3 301.312 2.230 20 0 DEADHO C[C@@H]1C[C@H](C)N(CCC(=O)N2CCc3ccccc32)C[C@H]1C[NH3+] ZINC000422639663 230162250 /nfs/dbraw/zinc/16/22/50/230162250.db2.gz UCLCJMWCXSNZBV-HLLBOEOZSA-N 1 3 315.461 2.271 20 0 DEADHO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)N2CCc3ccccc32)C[C@H]1CN ZINC000422639663 230162254 /nfs/dbraw/zinc/16/22/54/230162254.db2.gz UCLCJMWCXSNZBV-HLLBOEOZSA-N 1 3 315.461 2.271 20 0 DEADHO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)N2CCc3ccccc32)C[C@H]1CN ZINC000422639663 230162260 /nfs/dbraw/zinc/16/22/60/230162260.db2.gz UCLCJMWCXSNZBV-HLLBOEOZSA-N 1 3 315.461 2.271 20 0 DEADHO C[C@H]1CCNC[C@@H]1[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000422703862 230170101 /nfs/dbraw/zinc/17/01/01/230170101.db2.gz JDUKMIAOHBWNQS-HOTGVXAUSA-N 1 3 311.539 2.326 20 0 DEADHO COCCN(C)CC[C@H](N[C@@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000422718802 230176597 /nfs/dbraw/zinc/17/65/97/230176597.db2.gz QCATWKUAGREOAC-YTQUADARSA-N 1 3 319.493 2.284 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000422747682 230187382 /nfs/dbraw/zinc/18/73/82/230187382.db2.gz ZIIVMVYKYAHKGG-RRFJBIMHSA-N 1 3 322.472 2.354 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000422811245 230220388 /nfs/dbraw/zinc/22/03/88/230220388.db2.gz VQQXZPDIULBOMX-FHWLQOOXSA-N 1 3 317.477 2.167 20 0 DEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](c1ccccc1)N1CCOCC1 ZINC000422811245 230220395 /nfs/dbraw/zinc/22/03/95/230220395.db2.gz VQQXZPDIULBOMX-FHWLQOOXSA-N 1 3 317.477 2.167 20 0 DEADHO N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000422846808 230241086 /nfs/dbraw/zinc/24/10/86/230241086.db2.gz QGZMOHPEFBWFSR-IRXDYDNUSA-N 1 3 310.401 2.303 20 0 DEADHO Cc1cc(C)n(-c2ccc(CN[C@@H]3CCCC[C@@H]3C[NH3+])cn2)n1 ZINC000422897410 230267707 /nfs/dbraw/zinc/26/77/07/230267707.db2.gz JOSHGKZFOLIVIZ-IAGOWNOFSA-N 1 3 313.449 2.491 20 0 DEADHO C[C@@H]1CN(Cc2cccc(CN[C@H]3CCC[C@@H]3C[NH3+])c2)CCO1 ZINC000422908101 230271428 /nfs/dbraw/zinc/27/14/28/230271428.db2.gz YAPFJVGMQZEBFM-LZQZEXGQSA-N 1 3 317.477 2.124 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1cccc(OC(F)F)c1 ZINC000422950384 230290724 /nfs/dbraw/zinc/29/07/24/230290724.db2.gz XWBQZRWRXAOQTM-BPNCWPANSA-N 1 3 300.349 2.130 20 0 DEADHO Cc1nccn1C[C@H](C)C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)N ZINC000422960718 230295577 /nfs/dbraw/zinc/29/55/77/230295577.db2.gz XNPAITNZJFTRFY-RKVPGOIHSA-N 1 3 300.450 2.376 20 0 DEADHO C[C@H]1CC[NH2+]CC[C@H]1NCCNC(=O)c1ccccc1Cl ZINC000422958367 230296373 /nfs/dbraw/zinc/29/63/73/230296373.db2.gz XKWWBUHYAZTKOD-SWLSCSKDSA-N 1 3 309.841 2.048 20 0 DEADHO N[C@@H]1C[C@@H]([NH2+][C@@H](CO)Cc2ccc(F)cc2)c2ccccc21 ZINC000423068635 230336996 /nfs/dbraw/zinc/33/69/96/230336996.db2.gz CJSYTNFZCFAVOR-ZTFGCOKTSA-N 1 3 300.377 2.464 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC[C@H]1CSCCN1Cc1ccccc1 ZINC000423072352 230337296 /nfs/dbraw/zinc/33/72/96/230337296.db2.gz GYDQRNZYIBBLHL-UXLLHSPISA-N 1 3 307.507 2.319 20 0 DEADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCCn1cc(Br)cn1 ZINC000423082085 230342085 /nfs/dbraw/zinc/34/20/85/230342085.db2.gz CLOSAACVGOPYQQ-WCQYABFASA-N 1 3 315.259 2.143 20 0 DEADHO C[C@H](NCc1ccc(OC2CCN(C)CC2)cc1)[C@H]1CCC[NH2+]1 ZINC000423099941 230349339 /nfs/dbraw/zinc/34/93/39/230349339.db2.gz FVLMIIPPZFPTBV-HNAYVOBHSA-N 1 3 317.477 2.390 20 0 DEADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1cccc(N2CCOCC2)c1 ZINC000423133029 230361303 /nfs/dbraw/zinc/36/13/03/230361303.db2.gz JYCLHENZJLHQQG-YJBOKZPZSA-N 1 3 303.450 2.001 20 0 DEADHO CCc1ccccc1C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000189168876 424864177 /nfs/dbraw/zinc/86/41/77/424864177.db2.gz IYLDATMHZNNNFU-UHFFFAOYSA-N 1 3 317.477 2.139 20 0 DEADHO C[C@H](CCN[C@@H]1CCCNC(=O)C1)[N@H+](C)Cc1ccccc1 ZINC000379653844 424907825 /nfs/dbraw/zinc/90/78/25/424907825.db2.gz GURVRFRNFQWZAM-NVXWUHKLSA-N 1 3 303.450 2.155 20 0 DEADHO C[C@H](CCN[C@@H]1CCCNC(=O)C1)[N@@H+](C)Cc1ccccc1 ZINC000379653844 424907828 /nfs/dbraw/zinc/90/78/28/424907828.db2.gz GURVRFRNFQWZAM-NVXWUHKLSA-N 1 3 303.450 2.155 20 0 DEADHO Cc1ccc(OC[C@H](O)CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000388728649 424914912 /nfs/dbraw/zinc/91/49/12/424914912.db2.gz BDWJHXAVBWUYJI-GVDBMIGSSA-N 1 3 306.450 2.115 20 0 DEADHO Cc1ccc(OC[C@H](O)CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000388728649 424914914 /nfs/dbraw/zinc/91/49/14/424914914.db2.gz BDWJHXAVBWUYJI-GVDBMIGSSA-N 1 3 306.450 2.115 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CCC(C)(C)[NH3+] ZINC000389884249 424916584 /nfs/dbraw/zinc/91/65/84/424916584.db2.gz QGKXTNXHDPPMBU-HOCLYGCPSA-N 1 3 303.450 2.141 20 0 DEADHO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H]1NCC1(C)C ZINC000649284949 424982876 /nfs/dbraw/zinc/98/28/76/424982876.db2.gz OEOCEIPPACWGAP-INIZCTEOSA-N 1 3 319.449 2.344 20 0 DEADHO NC[C@H]1CCC[C@H]1[NH2+]CCCNc1ccc(C(F)(F)F)cn1 ZINC000422829752 424987610 /nfs/dbraw/zinc/98/76/10/424987610.db2.gz HWKAAZZRYZCNRY-DGCLKSJQSA-N 1 3 316.371 2.619 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CCC(C)(C)[NH3+])C1 ZINC000649307317 424989335 /nfs/dbraw/zinc/98/93/35/424989335.db2.gz GKGZDGPXAMBIAD-HOCLYGCPSA-N 1 3 303.450 2.456 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)N(CC)CC ZINC000649363612 425001174 /nfs/dbraw/zinc/00/11/74/425001174.db2.gz IHAAQDAYYSFFJG-YESZJQIVSA-N 1 3 309.498 2.345 20 0 DEADHO CN1CCC[C@@H]1C[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000649594803 425048653 /nfs/dbraw/zinc/04/86/53/425048653.db2.gz OZGMAGDTVXISHJ-QGZVFWFLSA-N 1 3 302.466 2.493 20 0 DEADHO Fc1ccc([C@@H](NCCC2CC[NH2+]CC2)c2c[nH]nn2)cc1 ZINC000650762510 425049865 /nfs/dbraw/zinc/04/98/65/425049865.db2.gz CIHJFKHYYGTMIG-MRXNPFEDSA-N 1 3 303.385 2.013 20 0 DEADHO CN(C)[C@@H](CNC(=O)C[NH2+]C1(C2CCC2)CC1)c1ccccc1 ZINC000649810535 425084746 /nfs/dbraw/zinc/08/47/46/425084746.db2.gz PGCNSQAFDIEYHZ-KRWDZBQOSA-N 1 3 315.461 2.328 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000663482215 425168366 /nfs/dbraw/zinc/16/83/66/425168366.db2.gz QGUVIJXQHQXUDQ-JKSUJKDBSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000663482215 425168373 /nfs/dbraw/zinc/16/83/73/425168373.db2.gz QGUVIJXQHQXUDQ-JKSUJKDBSA-N 1 3 324.513 2.423 20 0 DEADHO C[NH2+]CCCC(=O)N1CCC(NCc2ccccc2Cl)CC1 ZINC000663503769 425174904 /nfs/dbraw/zinc/17/49/04/425174904.db2.gz QUVOJBDUORXKGS-UHFFFAOYSA-N 1 3 323.868 2.420 20 0 DEADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC[C@]2(O)CCOC2)CC1 ZINC000651944353 425153151 /nfs/dbraw/zinc/15/31/51/425153151.db2.gz SXSDOGMSUPGCGR-NJAFHUGGSA-N 1 3 310.482 2.161 20 0 DEADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CC[C@]2(O)CCOC2)CC1 ZINC000651944353 425153152 /nfs/dbraw/zinc/15/31/52/425153152.db2.gz SXSDOGMSUPGCGR-NJAFHUGGSA-N 1 3 310.482 2.161 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652311205 425237025 /nfs/dbraw/zinc/23/70/25/425237025.db2.gz CKVSNNYPFWPIFN-UHFFFAOYSA-N 1 3 324.513 2.140 20 0 DEADHO CCc1noc(C)c1CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348670 425245700 /nfs/dbraw/zinc/24/57/00/425245700.db2.gz MLQUPDMERSCODD-JJRVBVJISA-N 1 3 307.438 2.264 20 0 DEADHO C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCC(CC[NH3+])CC1 ZINC000652358851 425247035 /nfs/dbraw/zinc/24/70/35/425247035.db2.gz RNIMQFJEULLGGZ-HNNXBMFYSA-N 1 3 303.450 2.094 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)C1CCCCC1 ZINC000657071377 425253019 /nfs/dbraw/zinc/25/30/19/425253019.db2.gz MJNZZFZBUXUZEN-HNNXBMFYSA-N 1 3 312.502 2.233 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)C1CCCCC1 ZINC000657071377 425253022 /nfs/dbraw/zinc/25/30/22/425253022.db2.gz MJNZZFZBUXUZEN-HNNXBMFYSA-N 1 3 312.502 2.233 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NCC[N@H+](C)C2CCCCC2)C1 ZINC000663892964 425261582 /nfs/dbraw/zinc/26/15/82/425261582.db2.gz LTEVYBVHTGMDLJ-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NCC[N@@H+](C)C2CCCCC2)C1 ZINC000663892964 425261586 /nfs/dbraw/zinc/26/15/86/425261586.db2.gz LTEVYBVHTGMDLJ-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO CC(C)[NH+]1CCC(O)(CNCc2c(C3CCC3)cnn2C)CC1 ZINC000657396958 425326485 /nfs/dbraw/zinc/32/64/85/425326485.db2.gz FZMNPQUEJAALCD-UHFFFAOYSA-N 1 3 320.481 2.013 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000664213290 425332027 /nfs/dbraw/zinc/33/20/27/425332027.db2.gz NIPCIXLFYQQAME-RDJZCZTQSA-N 1 3 322.497 2.177 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000664213290 425332029 /nfs/dbraw/zinc/33/20/29/425332029.db2.gz NIPCIXLFYQQAME-RDJZCZTQSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654374557 425336826 /nfs/dbraw/zinc/33/68/26/425336826.db2.gz JMXFKALBLKBGLU-IKGGRYGDSA-N 1 3 322.497 2.177 20 0 DEADHO CCN(C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[C@@H]1CCN(CC)C1 ZINC000664031645 425292597 /nfs/dbraw/zinc/29/25/97/425292597.db2.gz GVXCAAVPTLZYIM-IXDOHACOSA-N 1 3 324.513 2.375 20 0 DEADHO CCN(C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[C@@H]1CCN(CC)C1 ZINC000664031645 425292603 /nfs/dbraw/zinc/29/26/03/425292603.db2.gz GVXCAAVPTLZYIM-IXDOHACOSA-N 1 3 324.513 2.375 20 0 DEADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000654429352 425351711 /nfs/dbraw/zinc/35/17/11/425351711.db2.gz XCKMQAUQRKQQBY-IXDOHACOSA-N 1 3 322.497 2.034 20 0 DEADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000654429352 425351715 /nfs/dbraw/zinc/35/17/15/425351715.db2.gz XCKMQAUQRKQQBY-IXDOHACOSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H](C[NH+]1CCC(C)CC1)NCc1ccnn1-c1ccncc1 ZINC000657694606 425386781 /nfs/dbraw/zinc/38/67/81/425386781.db2.gz NJEXITPPVNUHJR-INIZCTEOSA-N 1 3 313.449 2.477 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)[NH2+]Cc1ccnn1-c1ccncc1 ZINC000657694606 425386785 /nfs/dbraw/zinc/38/67/85/425386785.db2.gz NJEXITPPVNUHJR-INIZCTEOSA-N 1 3 313.449 2.477 20 0 DEADHO C[N@H+](CCCCNC(=O)N[C@H]1CCCN2CCCC[C@H]12)C1CC1 ZINC000654588209 425391038 /nfs/dbraw/zinc/39/10/38/425391038.db2.gz SJSIENGGEHOHSC-DLBZAZTESA-N 1 3 322.497 2.177 20 0 DEADHO C[N@@H+](CCCCNC(=O)N[C@H]1CCCN2CCCC[C@H]12)C1CC1 ZINC000654588209 425391042 /nfs/dbraw/zinc/39/10/42/425391042.db2.gz SJSIENGGEHOHSC-DLBZAZTESA-N 1 3 322.497 2.177 20 0 DEADHO C[N@@H+]1CCC[C@H](CCNC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000654591265 425392408 /nfs/dbraw/zinc/39/24/08/425392408.db2.gz YPCWWNNEXZMHDD-ZACQAIPSSA-N 1 3 322.497 2.034 20 0 DEADHO C[N@H+]1CCC[C@H](CCNC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000654591265 425392411 /nfs/dbraw/zinc/39/24/11/425392411.db2.gz YPCWWNNEXZMHDD-ZACQAIPSSA-N 1 3 322.497 2.034 20 0 DEADHO C[NH+](C)C1CCC(NC(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000654596447 425394021 /nfs/dbraw/zinc/39/40/21/425394021.db2.gz PJNKHKDWLQVTDE-BHUNQDJPSA-N 1 3 322.497 2.175 20 0 DEADHO Cc1cccc2ncc(CN[C@@H](C)CN(C)CCC[NH+](C)C)n21 ZINC000657574521 425368210 /nfs/dbraw/zinc/36/82/10/425368210.db2.gz XPACFVAESOIRQD-HNNXBMFYSA-N 1 3 317.481 2.004 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000661317161 425378570 /nfs/dbraw/zinc/37/85/70/425378570.db2.gz ZDFHZXYHCBJKOG-IRXDYDNUSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000661317161 425378573 /nfs/dbraw/zinc/37/85/73/425378573.db2.gz ZDFHZXYHCBJKOG-IRXDYDNUSA-N 1 3 324.513 2.138 20 0 DEADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000664408139 425378980 /nfs/dbraw/zinc/37/89/80/425378980.db2.gz LRZPONYZJDSAMT-CABCVRRESA-N 1 3 310.486 2.033 20 0 DEADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000664409943 425379012 /nfs/dbraw/zinc/37/90/12/425379012.db2.gz ROIJXRFVEKHYEB-IAGOWNOFSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654567466 425384145 /nfs/dbraw/zinc/38/41/45/425384145.db2.gz LPZOQPIUAAGRHZ-OAGGEKHMSA-N 1 3 310.486 2.031 20 0 DEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654567466 425384148 /nfs/dbraw/zinc/38/41/48/425384148.db2.gz LPZOQPIUAAGRHZ-OAGGEKHMSA-N 1 3 310.486 2.031 20 0 DEADHO CN(C(=O)[C@@H]1CCC[NH2+]CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000653148208 425418691 /nfs/dbraw/zinc/41/86/91/425418691.db2.gz RVPHVPNIMVGZMY-MSOLQXFVSA-N 1 3 315.461 2.109 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000654728256 425424110 /nfs/dbraw/zinc/42/41/10/425424110.db2.gz CCLPQEHXXZFISL-BRWVUGGUSA-N 1 3 322.497 2.175 20 0 DEADHO CC[C@@H](NCC1CC[NH+](C2CCOCC2)CC1)c1nccn1C ZINC000658066565 425432261 /nfs/dbraw/zinc/43/22/61/425432261.db2.gz BWJFEPYZANNSEL-QGZVFWFLSA-N 1 3 320.481 2.352 20 0 DEADHO CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H]1CNCc2ccccc21 ZINC000664719774 425442313 /nfs/dbraw/zinc/44/23/13/425442313.db2.gz ZCQIYYJJQAGEFM-MRXNPFEDSA-N 1 3 303.450 2.110 20 0 DEADHO CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H]1CNCc2ccccc21 ZINC000664719774 425442317 /nfs/dbraw/zinc/44/23/17/425442317.db2.gz ZCQIYYJJQAGEFM-MRXNPFEDSA-N 1 3 303.450 2.110 20 0 DEADHO COC[C@@H]([NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)C(C)C ZINC000658138142 425443376 /nfs/dbraw/zinc/44/33/76/425443376.db2.gz IUXFVSIOPIKGMX-ZWKOTPCHSA-N 1 3 306.450 2.014 20 0 DEADHO COC(C)(C)[C@H](C)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658138030 425444181 /nfs/dbraw/zinc/44/41/81/425444181.db2.gz MALBWJKTXPODAS-WMLDXEAASA-N 1 3 306.450 2.156 20 0 DEADHO C[C@H]([NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)[C@@H]1CCCOC1 ZINC000658137660 425444344 /nfs/dbraw/zinc/44/43/44/425444344.db2.gz LEXAEIUYKTYMTF-IPELMVKDSA-N 1 3 318.461 2.158 20 0 DEADHO CCC[N@H+](C)CC(C)(C)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000664757574 425449108 /nfs/dbraw/zinc/44/91/08/425449108.db2.gz BATLYPXNDDFRPU-INIZCTEOSA-N 1 3 324.513 2.423 20 0 DEADHO CCC[N@@H+](C)CC(C)(C)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000664757574 425449112 /nfs/dbraw/zinc/44/91/12/425449112.db2.gz BATLYPXNDDFRPU-INIZCTEOSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H]([NH2+][C@H](C)C1(CO)CC1)c1ccc(OCCN(C)C)cc1 ZINC000658160313 425449402 /nfs/dbraw/zinc/44/94/02/425449402.db2.gz NCEWWFYEHNVDRK-HUUCEWRRSA-N 1 3 306.450 2.439 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](NCCO[C@H]2CC2(F)F)[C@H](C)C1 ZINC000658171570 425450343 /nfs/dbraw/zinc/45/03/43/425450343.db2.gz ZLWSFSOIGQIGPQ-ILXRZTDVSA-N 1 3 320.424 2.137 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](NCCO[C@H]2CC2(F)F)[C@H](C)C1 ZINC000658171570 425450349 /nfs/dbraw/zinc/45/03/49/425450349.db2.gz ZLWSFSOIGQIGPQ-ILXRZTDVSA-N 1 3 320.424 2.137 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NCCC3CC3)CC2)CC1 ZINC000654839901 425452316 /nfs/dbraw/zinc/45/23/16/425452316.db2.gz BFJMJQKHPZNSOY-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO CC(=O)N1CC[C@@H]([NH2+]CC2(N)CCCC2)c2ccccc2C1 ZINC000665247705 425528468 /nfs/dbraw/zinc/52/84/68/425528468.db2.gz ILEBVQWTDGXZGP-QGZVFWFLSA-N 1 3 301.434 2.341 20 0 DEADHO CCN1CCC([NH2+][C@@H]2CNCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000665256516 425530676 /nfs/dbraw/zinc/53/06/76/425530676.db2.gz CMJNRECSEXPPRH-QZTJIDSGSA-N 1 3 305.441 2.345 20 0 DEADHO CC(=O)N1CC[C@@H](NCC[C@@H]([NH3+])C(C)C)c2ccccc2C1 ZINC000665282091 425536562 /nfs/dbraw/zinc/53/65/62/425536562.db2.gz QMLDOPPHMXNYQO-QZTJIDSGSA-N 1 3 303.450 2.443 20 0 DEADHO CC[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C)C1CC1 ZINC000661761904 425495722 /nfs/dbraw/zinc/49/57/22/425495722.db2.gz KROFDPUIDDWGOH-IAGOWNOFSA-N 1 3 303.450 2.184 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000665365638 425554704 /nfs/dbraw/zinc/55/47/04/425554704.db2.gz IJTGRTARWGMTSW-CVEARBPZSA-N 1 3 322.497 2.129 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655469735 425575969 /nfs/dbraw/zinc/57/59/69/425575969.db2.gz ZBZILFBKMXSSOQ-NVXWUHKLSA-N 1 3 321.490 2.028 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)C[C@H]1NCc2ccccc21 ZINC000659327592 425577988 /nfs/dbraw/zinc/57/79/88/425577988.db2.gz QIDFFYLSGKJIOC-QGZVFWFLSA-N 1 3 303.450 2.315 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)C[C@H]1NCc2ccccc21 ZINC000659327592 425577989 /nfs/dbraw/zinc/57/79/89/425577989.db2.gz QIDFFYLSGKJIOC-QGZVFWFLSA-N 1 3 303.450 2.315 20 0 DEADHO CC[C@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665639075 425611233 /nfs/dbraw/zinc/61/12/33/425611233.db2.gz LEELHWJXYZMPAL-HOTGVXAUSA-N 1 3 312.502 2.090 20 0 DEADHO CC[C@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665639075 425611236 /nfs/dbraw/zinc/61/12/36/425611236.db2.gz LEELHWJXYZMPAL-HOTGVXAUSA-N 1 3 312.502 2.090 20 0 DEADHO CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CCN(C(C)(C)C)C2)CC1 ZINC000665555354 425596829 /nfs/dbraw/zinc/59/68/29/425596829.db2.gz CAVBMEXPMZWINH-HNNXBMFYSA-N 1 3 310.486 2.031 20 0 DEADHO CC(C)(C)N1CC[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000665557342 425597090 /nfs/dbraw/zinc/59/70/90/425597090.db2.gz RYZGXFBSQKZMMZ-HOTGVXAUSA-N 1 3 322.497 2.129 20 0 DEADHO Cc1ccc(CN(CC2CC2)C[C@H]2CCC3(C[NH2+]C3)O2)cn1 ZINC000662282043 425611508 /nfs/dbraw/zinc/61/15/08/425611508.db2.gz BNLKUEQRYKNXFN-QGZVFWFLSA-N 1 3 301.434 2.123 20 0 DEADHO C[C@H](CNC(=O)NCC1([NH3+])CCCC1)N(C)Cc1ccccc1 ZINC000659452824 425606054 /nfs/dbraw/zinc/60/60/54/425606054.db2.gz FGVBFAKBHUQHLK-OAHLLOKOSA-N 1 3 318.465 2.078 20 0 DEADHO C[NH2+]C[C@H](C)NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000659456168 425607325 /nfs/dbraw/zinc/60/73/25/425607325.db2.gz IPJUPWYKVQOBQG-RDJZCZTQSA-N 1 3 318.465 2.121 20 0 DEADHO C[NH2+]C[C@@H](C)NC(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000659641851 425643019 /nfs/dbraw/zinc/64/30/19/425643019.db2.gz ITBYSFKHKOSVIN-CQSZACIVSA-N 1 3 312.502 2.136 20 0 DEADHO N[C@H](CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)c1ccccc1 ZINC000662412452 425644539 /nfs/dbraw/zinc/64/45/39/425644539.db2.gz GCGOJEIRHLCIGT-PKOBYXMFSA-N 1 3 323.440 2.495 20 0 DEADHO N[C@@H](CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)c1ccccc1 ZINC000662412449 425645198 /nfs/dbraw/zinc/64/51/98/425645198.db2.gz GCGOJEIRHLCIGT-HKUYNNGSSA-N 1 3 323.440 2.495 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000662474045 425659468 /nfs/dbraw/zinc/65/94/68/425659468.db2.gz QUSIZSHFJZOBRE-KCQAQPDRSA-N 1 3 309.479 2.245 20 0 DEADHO CC[NH+](CC)CC1CCN([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)CC1 ZINC000659843179 425665364 /nfs/dbraw/zinc/66/53/64/425665364.db2.gz MOGDRXXJTMIKSN-RCCFBDPRSA-N 1 3 321.509 2.488 20 0 DEADHO CN(CCN(C)C1CC1)C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662538730 425676729 /nfs/dbraw/zinc/67/67/29/425676729.db2.gz RPICMXDDLNQYOC-INIZCTEOSA-N 1 3 315.461 2.231 20 0 DEADHO c1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662283465 425612696 /nfs/dbraw/zinc/61/26/96/425612696.db2.gz TZQQQEGTPXYNNQ-SZMVWBNQSA-N 1 3 316.445 2.265 20 0 DEADHO c1ccc([C@H](C[C@H]2CCOC2)[NH2+]C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662283461 425612919 /nfs/dbraw/zinc/61/29/19/425612919.db2.gz TZQQQEGTPXYNNQ-NJAFHUGGSA-N 1 3 316.445 2.265 20 0 DEADHO CCCN1CC[C@@H](NC(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000659545516 425624929 /nfs/dbraw/zinc/62/49/29/425624929.db2.gz OLOGFYURDQAEBR-IAGOWNOFSA-N 1 3 318.465 2.250 20 0 DEADHO C[C@H]1CCCCN1CCC[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000655682225 425627546 /nfs/dbraw/zinc/62/75/46/425627546.db2.gz BWKPIKAUKPUSSU-HKUYNNGSSA-N 1 3 323.525 2.484 20 0 DEADHO C[C@H]1CCCCN1CC[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000655691037 425630143 /nfs/dbraw/zinc/63/01/43/425630143.db2.gz NKHUPMKODPJBOF-FUHWJXTLSA-N 1 3 309.498 2.094 20 0 DEADHO CC(C)N(CC[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)C(C)C ZINC000655688892 425630337 /nfs/dbraw/zinc/63/03/37/425630337.db2.gz AKHHWJTZMFUQDS-SFHVURJKSA-N 1 3 311.514 2.338 20 0 DEADHO [NH3+]C1(CNC(=O)N2CCN(CC3CCCCC3)CC2)CCCC1 ZINC000659570628 425630595 /nfs/dbraw/zinc/63/05/95/425630595.db2.gz KCKJIUVYYWATAK-UHFFFAOYSA-N 1 3 322.497 2.165 20 0 DEADHO CC1CC[NH+](CCCNC(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000662356311 425630833 /nfs/dbraw/zinc/63/08/33/425630833.db2.gz NZTYPBXPBXVUAY-SFHVURJKSA-N 1 3 315.461 2.459 20 0 DEADHO CC[C@@H]1CCCCN1CC[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000655712897 425634158 /nfs/dbraw/zinc/63/41/58/425634158.db2.gz UOPYJXIFXFVPMG-QZTJIDSGSA-N 1 3 309.498 2.094 20 0 DEADHO CCN1CCC(NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC1 ZINC000662365954 425634464 /nfs/dbraw/zinc/63/44/64/425634464.db2.gz YHHFFVFSGVIFSM-MRXNPFEDSA-N 1 3 315.461 2.279 20 0 DEADHO C[NH+](C)CC1CCC(NC(=O)c2cccc3c2CCNC3)CC1 ZINC000662788888 425734968 /nfs/dbraw/zinc/73/49/68/425734968.db2.gz QDLQKYRCKAJQTM-UHFFFAOYSA-N 1 3 315.461 2.183 20 0 DEADHO CO[C@H](C[NH+]1CCC(N(C)C[C@H](C)O)CC1)C1CCCCC1 ZINC000659897128 425684593 /nfs/dbraw/zinc/68/45/93/425684593.db2.gz STOYNUHANZDBAA-MAUKXSAKSA-N 1 3 312.498 2.359 20 0 DEADHO CC1(C)CC[NH2+][C@H]1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000662666474 425707392 /nfs/dbraw/zinc/70/73/92/425707392.db2.gz SOKNGFULTQZVIE-IRXDYDNUSA-N 1 3 315.461 2.328 20 0 DEADHO CC1CCN([C@@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2)c2ccccc2)CC1 ZINC000662691114 425714817 /nfs/dbraw/zinc/71/48/17/425714817.db2.gz GEVGBQJWGYTYEK-BZSNNMDCSA-N 1 3 315.461 2.313 20 0 DEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1(N)CC2(CCC2)C1 ZINC000662695448 425716097 /nfs/dbraw/zinc/71/60/97/425716097.db2.gz MCCUTICZRZCJJY-ZNMIVQPWSA-N 1 3 307.482 2.131 20 0 DEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1(N)CC2(CCC2)C1 ZINC000662695448 425716100 /nfs/dbraw/zinc/71/61/00/425716100.db2.gz MCCUTICZRZCJJY-ZNMIVQPWSA-N 1 3 307.482 2.131 20 0 DEADHO COCC1(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000656200310 425729852 /nfs/dbraw/zinc/72/98/52/425729852.db2.gz LKEILSRDWCFIKL-YJBOKZPZSA-N 1 3 302.418 2.259 20 0 DEADHO CCNc1nc(NC[C@H]2C[C@@H]([NH+](C)C)C2)nc(NC(C)(C)C)n1 ZINC000656211846 425732472 /nfs/dbraw/zinc/73/24/72/425732472.db2.gz NLXIQIDHMAXKHO-TXEJJXNPSA-N 1 3 321.473 2.266 20 0 DEADHO CC1(C)CC[NH2+][C@@H]1C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000662772549 425733036 /nfs/dbraw/zinc/73/30/36/425733036.db2.gz AKIHIXMOEZZECE-GFCCVEGCSA-N 1 3 315.339 2.491 20 0 DEADHO CCC[NH+]1CCC(NC(=O)N[C@@H](C)CN2CCC(C)CC2)CC1 ZINC000660250821 425777306 /nfs/dbraw/zinc/77/73/06/425777306.db2.gz DSHJDCWDDCXZQL-INIZCTEOSA-N 1 3 324.513 2.280 20 0 DEADHO CC[C@@H](C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)N(CC)CC ZINC000662845407 425749623 /nfs/dbraw/zinc/74/96/23/425749623.db2.gz HZSQEWWJZLJELP-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO C[NH+](C)CCCC1CCN([C@@H]2C[C@H]3CCCC[C@H]3NC2=O)CC1 ZINC000660158974 425755160 /nfs/dbraw/zinc/75/51/60/425755160.db2.gz QOBAKYSOGDHTFN-KZNAEPCWSA-N 1 3 321.509 2.488 20 0 DEADHO CCN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1CCN(CC)C1 ZINC000663409238 425836467 /nfs/dbraw/zinc/83/64/67/425836467.db2.gz LJSWNQHMDOULLP-HNNXBMFYSA-N 1 3 324.513 2.421 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000398132412 269108004 /nfs/dbraw/zinc/10/80/04/269108004.db2.gz JYZYOPJOZZDKHL-BPQIPLTHSA-N 1 3 315.461 2.013 20 0 DEADHO CC(C)([NH3+])CN[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000401125635 269112145 /nfs/dbraw/zinc/11/21/45/269112145.db2.gz NPJYUCJDCMBOHT-MELADBBJSA-N 1 3 311.470 2.349 20 0 DEADHO O=C(Oc1ccccc1)N1CCC[C@@H](N[C@@H]2CCC[NH2+]C2)CC1 ZINC000496180027 269204823 /nfs/dbraw/zinc/20/48/23/269204823.db2.gz UMDHLPNLLVHAOF-HZPDHXFCSA-N 1 3 317.433 2.382 20 0 DEADHO CC(C)([NH3+])CNC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496707809 269243049 /nfs/dbraw/zinc/24/30/49/269243049.db2.gz ISDIMSONNMMMKR-UHFFFAOYSA-N 1 3 305.422 2.115 20 0 DEADHO CCCN1CC[C@H](C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000496944280 269269565 /nfs/dbraw/zinc/26/95/65/269269565.db2.gz YVKZKNFCHOIJFP-WLYUNCDWSA-N 1 3 311.470 2.364 20 0 DEADHO CCC[N@@H+]1CC[C@H](CNC2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000496944280 269269566 /nfs/dbraw/zinc/26/95/66/269269566.db2.gz YVKZKNFCHOIJFP-WLYUNCDWSA-N 1 3 311.470 2.364 20 0 DEADHO CCC[N@H+]1CC[C@H](CNC2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000496944280 269269568 /nfs/dbraw/zinc/26/95/68/269269568.db2.gz YVKZKNFCHOIJFP-WLYUNCDWSA-N 1 3 311.470 2.364 20 0 DEADHO C[NH2+][C@H](C)C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000514799407 269332356 /nfs/dbraw/zinc/33/23/56/269332356.db2.gz URRJAZWGKABKIL-RHSMWYFYSA-N 1 3 317.477 2.184 20 0 DEADHO C[C@H]1C[C@H](NCCN2CCCC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000515065072 269342569 /nfs/dbraw/zinc/34/25/69/269342569.db2.gz NYWKDPPREGNIDT-FUHWJXTLSA-N 1 3 315.461 2.252 20 0 DEADHO C[C@H]1C[C@H](NCCN2CCCC2=O)CC[N@H+]1Cc1ccccc1 ZINC000515065072 269342571 /nfs/dbraw/zinc/34/25/71/269342571.db2.gz NYWKDPPREGNIDT-FUHWJXTLSA-N 1 3 315.461 2.252 20 0 DEADHO CC(C)(C)c1n[nH]cc1CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000516632282 269366111 /nfs/dbraw/zinc/36/61/11/269366111.db2.gz NVHPANGWPJHDBQ-HZPDHXFCSA-N 1 3 320.481 2.426 20 0 DEADHO C[C@H](CCc1ccco1)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000516670836 269367526 /nfs/dbraw/zinc/36/75/26/269367526.db2.gz ZHJWDXJPXILENN-MRXNPFEDSA-N 1 3 321.465 2.183 20 0 DEADHO O=C(CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)NC1CCCCC1 ZINC000517356249 269383810 /nfs/dbraw/zinc/38/38/10/269383810.db2.gz SRPLMDXEGXIODL-BBWFWOEESA-N 1 3 307.482 2.336 20 0 DEADHO CC[C@H]1CCCCN1C(=O)CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357066700 273755978 /nfs/dbraw/zinc/75/59/78/273755978.db2.gz CBDSAZFGMYCLFB-SJORKVTESA-N 1 3 307.482 2.099 20 0 DEADHO COc1ccccc1NC(=O)C[C@@H](C)NC[C@@]1(C)CCC[NH2+]C1 ZINC000423329653 274161321 /nfs/dbraw/zinc/16/13/21/274161321.db2.gz NABDKJSYKVQWCD-KDOFPFPSSA-N 1 3 319.449 2.392 20 0 DEADHO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423329653 274161322 /nfs/dbraw/zinc/16/13/22/274161322.db2.gz NABDKJSYKVQWCD-KDOFPFPSSA-N 1 3 319.449 2.392 20 0 DEADHO O[C@@H]1c2ccccc2C[C@@H]1[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000119441254 275055545 /nfs/dbraw/zinc/05/55/45/275055545.db2.gz UEZBQMSEZQAUAH-AYOQOUSVSA-N 1 3 300.446 2.453 20 0 DEADHO O[C@@H]1c2ccccc2C[C@@H]1[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000119441254 275055546 /nfs/dbraw/zinc/05/55/46/275055546.db2.gz UEZBQMSEZQAUAH-AYOQOUSVSA-N 1 3 300.446 2.453 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000261932483 276057999 /nfs/dbraw/zinc/05/79/99/276057999.db2.gz BSGPJJSRXIABHK-GVDBMIGSSA-N 1 3 303.450 2.444 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCC12CCN(C)CC2 ZINC000358314988 276261542 /nfs/dbraw/zinc/26/15/42/276261542.db2.gz PSIGSEVEKAAELX-INIZCTEOSA-N 1 3 322.497 2.131 20 0 DEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCCC12CCN(C)CC2 ZINC000358314988 276261543 /nfs/dbraw/zinc/26/15/43/276261543.db2.gz PSIGSEVEKAAELX-INIZCTEOSA-N 1 3 322.497 2.131 20 0 DEADHO CCN1CCO[C@@H](CNC2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000343390519 276390972 /nfs/dbraw/zinc/39/09/72/276390972.db2.gz DECWYOMYHJFFNJ-RBUKOAKNSA-N 1 3 317.477 2.132 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)NCC2([NH3+])CCC2)N(C)C)cc1 ZINC000416845121 276670243 /nfs/dbraw/zinc/67/02/43/276670243.db2.gz RAGRORFKCWATBR-MRXNPFEDSA-N 1 3 318.465 2.032 20 0 DEADHO CO[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000423139710 277332545 /nfs/dbraw/zinc/33/25/45/277332545.db2.gz WLGGJKUVPSOWEJ-NXHRZFHOSA-N 1 3 302.418 2.257 20 0 DEADHO CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000360570953 277352469 /nfs/dbraw/zinc/35/24/69/277352469.db2.gz BLKSGFGEJDFRGE-HRCADAONSA-N 1 3 310.486 2.178 20 0 DEADHO COc1cc2nccc(N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)c2cc1OC ZINC000299140395 277396216 /nfs/dbraw/zinc/39/62/16/277396216.db2.gz YEUIKBGYOFBGGQ-BETUJISGSA-N 1 3 313.401 2.250 20 0 DEADHO COc1cc2nccc(N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)c2cc1OC ZINC000299140395 277396217 /nfs/dbraw/zinc/39/62/17/277396217.db2.gz YEUIKBGYOFBGGQ-BETUJISGSA-N 1 3 313.401 2.250 20 0 DEADHO C[C@@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])N(C)Cc1ccccc1 ZINC000261819527 278269793 /nfs/dbraw/zinc/26/97/93/278269793.db2.gz SMQRSPMRZVDIOU-BHYGNILZSA-N 1 3 303.450 2.141 20 0 DEADHO CC(C)(C)CCCN1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420411159 278313599 /nfs/dbraw/zinc/31/35/99/278313599.db2.gz XHSHVJLKOOFXMZ-CVEARBPZSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H]1CC[C@H](C[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)O1 ZINC000190503961 278382210 /nfs/dbraw/zinc/38/22/10/278382210.db2.gz ORNSQSLPFOZOJX-LISAXSMJSA-N 1 3 310.482 2.375 20 0 DEADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C[C@@H]3CCN(C)C(=O)C3)CC2)C1 ZINC000424331057 278498372 /nfs/dbraw/zinc/49/83/72/278498372.db2.gz SPWCNEYZWZINDR-JFIYKMOQSA-N 1 3 321.509 2.488 20 0 DEADHO CC1CCN([C@H](CNC(=O)[C@@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000236660507 278550952 /nfs/dbraw/zinc/55/09/52/278550952.db2.gz GVCUOIGQWPFXSM-ZWKOTPCHSA-N 1 3 315.461 2.328 20 0 DEADHO CC(C)(CNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+])N1CCCCC1 ZINC000416838785 278617891 /nfs/dbraw/zinc/61/78/91/278617891.db2.gz ZHDDTSOGSAWHCF-CABCVRRESA-N 1 3 310.486 2.068 20 0 DEADHO CC(C)C[C@H](CN(C)C)NC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449332303 279130888 /nfs/dbraw/zinc/13/08/88/279130888.db2.gz QWIHJISNELTWLQ-MJGOQNOKSA-N 1 3 317.477 2.010 20 0 DEADHO CCN(CC)[C@H](CNC(=O)CC[C@@H](C)[NH3+])c1cccc(OC)c1 ZINC000193293330 279162128 /nfs/dbraw/zinc/16/21/28/279162128.db2.gz JQAGFNWXIOFFGY-RHSMWYFYSA-N 1 3 321.465 2.322 20 0 DEADHO CCN(CCNC(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1)C1CC1 ZINC000338466933 279199564 /nfs/dbraw/zinc/19/95/64/279199564.db2.gz VUCOVORBOSMYAP-YJBOKZPZSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000418192772 279255803 /nfs/dbraw/zinc/25/58/03/279255803.db2.gz MVFFZBANPLGBRE-VYDXJSESSA-N 1 3 318.465 2.076 20 0 DEADHO CCN1CCC(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC1 ZINC000349685846 279260299 /nfs/dbraw/zinc/26/02/99/279260299.db2.gz PLVGGWZCKFGMGV-UHFFFAOYSA-N 1 3 322.497 2.131 20 0 DEADHO CCN1CCC(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC000349685846 279260300 /nfs/dbraw/zinc/26/03/00/279260300.db2.gz PLVGGWZCKFGMGV-UHFFFAOYSA-N 1 3 322.497 2.131 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000417589575 279279767 /nfs/dbraw/zinc/27/97/67/279279767.db2.gz VMIYFDRYMVVPTI-INIZCTEOSA-N 1 3 322.497 2.036 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000111883461 279281504 /nfs/dbraw/zinc/28/15/04/279281504.db2.gz QLALIHLZWXENBF-WBVHZDCISA-N 1 3 322.497 2.177 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000111883461 279281505 /nfs/dbraw/zinc/28/15/05/279281505.db2.gz QLALIHLZWXENBF-WBVHZDCISA-N 1 3 322.497 2.177 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CC12CC[NH2+]CC2)N(C)Cc1ccccc1 ZINC000237432293 279340691 /nfs/dbraw/zinc/34/06/91/279340691.db2.gz QGTBHCPZDCFUGR-WBVHZDCISA-N 1 3 315.461 2.013 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000341257599 279481074 /nfs/dbraw/zinc/48/10/74/279481074.db2.gz JUFYPENWKBJLFY-QGZVFWFLSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CC2CCN(c3ccncc3)CC2)CCN1C ZINC000179468551 280009785 /nfs/dbraw/zinc/00/97/85/280009785.db2.gz DDNKRVWLBQXOKR-DOTOQJQBSA-N 1 3 302.466 2.370 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1)N(C)C ZINC000362391237 280174173 /nfs/dbraw/zinc/17/41/73/280174173.db2.gz OPUJOKFMWVNZPH-IAGOWNOFSA-N 1 3 311.514 2.445 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000417700953 280249561 /nfs/dbraw/zinc/24/95/61/280249561.db2.gz LWCOJPOIBRHSNC-XHSDSOJGSA-N 1 3 310.486 2.162 20 0 DEADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000417323216 280280015 /nfs/dbraw/zinc/28/00/15/280280015.db2.gz GHPXXHNNOIPZBA-BZUAXINKSA-N 1 3 312.502 2.122 20 0 DEADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000418611948 281000310 /nfs/dbraw/zinc/00/03/10/281000310.db2.gz IHHGFXCUBLZYPI-CVEARBPZSA-N 1 3 322.497 2.034 20 0 DEADHO Cc1cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1F ZINC000133404377 282015289 /nfs/dbraw/zinc/01/52/89/282015289.db2.gz DQCDUXJWRYCGBZ-UHFFFAOYSA-N 1 3 310.417 2.091 20 0 DEADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000355384677 282024944 /nfs/dbraw/zinc/02/49/44/282024944.db2.gz QGSVOPYEOFQDSV-WBVHZDCISA-N 1 3 319.493 2.442 20 0 DEADHO CN(C)[C@@H]1CCC[N@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000420901526 289297017 /nfs/dbraw/zinc/29/70/17/289297017.db2.gz KHRUQJRPCCWRTF-LJQANCHMSA-N 1 3 317.477 2.045 20 0 DEADHO CN(C)[C@@H]1CCC[N@@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000420901526 289297018 /nfs/dbraw/zinc/29/70/18/289297018.db2.gz KHRUQJRPCCWRTF-LJQANCHMSA-N 1 3 317.477 2.045 20 0 DEADHO C[C@H](C(=O)NCCN1CCCC(C)(C)C1)[NH+]1CCCCCC1 ZINC000444605699 289352575 /nfs/dbraw/zinc/35/25/75/289352575.db2.gz DAHQHGICYNLXRU-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H](NC1CCN([C@@H](C)c2ccncc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422971485 289939862 /nfs/dbraw/zinc/93/98/62/289939862.db2.gz YKUMRSHLQQWBPJ-MPGHIAIKSA-N 1 3 302.466 2.337 20 0 DEADHO C[C@H](C(=O)NCC1(C[NH+](C)C)CCCC1)N1CCCCCC1 ZINC000186180984 298148956 /nfs/dbraw/zinc/14/89/56/298148956.db2.gz YUNJHKFCMLPKKN-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)NCCN1CCCCC1 ZINC000187380570 298583745 /nfs/dbraw/zinc/58/37/45/298583745.db2.gz WFWRECCZNHVTDM-MRXNPFEDSA-N 1 3 310.486 2.036 20 0 DEADHO C[C@@H]([NH3+])C[C@@H](C)NCc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000572879379 325993322 /nfs/dbraw/zinc/99/33/22/325993322.db2.gz CONFAVIICPVERR-GHMZBOCLSA-N 1 3 302.378 2.021 20 0 DEADHO CN(C)CCN(C(=O)C[C@H]([NH3+])Cc1ccccc1)C1CCCC1 ZINC000572952316 326001831 /nfs/dbraw/zinc/00/18/31/326001831.db2.gz DXHVJNIZUSLBIN-QGZVFWFLSA-N 1 3 317.477 2.279 20 0 DEADHO CN(C)CCN(C(=O)NCc1ccc(C[NH3+])cc1)C1CCCC1 ZINC000573604301 326074291 /nfs/dbraw/zinc/07/42/91/326074291.db2.gz ZSKSYORFHAXTJW-UHFFFAOYSA-N 1 3 318.465 2.161 20 0 DEADHO [NH3+][C@H](CCC(=O)NCCNc1ccncc1)CC1CCCCC1 ZINC000574570195 326167206 /nfs/dbraw/zinc/16/72/06/326167206.db2.gz HWKJMIPGYXLTEU-MRXNPFEDSA-N 1 3 318.465 2.110 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000574906771 326199859 /nfs/dbraw/zinc/19/98/59/326199859.db2.gz KDHFUNTVMZRHHS-BBWFWOEESA-N 1 3 322.497 2.164 20 0 DEADHO CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H]1CCCCN1CC ZINC000575179713 326225921 /nfs/dbraw/zinc/22/59/21/326225921.db2.gz KHHGFSQQCZWNNO-IRXDYDNUSA-N 1 3 303.450 2.239 20 0 DEADHO CC(C)OCc1ccccc1CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000576099475 326269009 /nfs/dbraw/zinc/26/90/09/326269009.db2.gz SPGWRVBZTDZKLB-BMGDILEWSA-N 1 3 306.450 2.454 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000576105217 326269644 /nfs/dbraw/zinc/26/96/44/326269644.db2.gz PQUIMZKHLMINHD-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1ccc(CNC(=O)[C@@H](C)N2CCC(CC[NH3+])CC2)cc1 ZINC000576166693 326274320 /nfs/dbraw/zinc/27/43/20/326274320.db2.gz ZENLVVYMPASYDM-OAHLLOKOSA-N 1 3 303.450 2.061 20 0 DEADHO Cc1ccc(NC(=O)CCN[C@@H](C)C(C)(C)C[NH+](C)C)nc1 ZINC000576864620 326324799 /nfs/dbraw/zinc/32/47/99/326324799.db2.gz XWHCQKXDUBAFSH-AWEZNQCLSA-N 1 3 306.454 2.285 20 0 DEADHO [NH3+][C@H]1CCC[C@H](NCCOc2cccc(C(F)(F)F)n2)C1 ZINC000580095293 332938728 /nfs/dbraw/zinc/93/87/28/332938728.db2.gz OWIJFMRRFLXFET-QWRGUYRKSA-N 1 3 303.328 2.339 20 0 DEADHO COc1cc2c(cc1C[NH2+]C[C@H]1CCCN(C)C1)O[C@H](C)C2 ZINC000378881866 333060291 /nfs/dbraw/zinc/06/02/91/333060291.db2.gz HNAGTGMNHBWOFQ-ZIAGYGMSSA-N 1 3 304.434 2.450 20 0 DEADHO CN(C(=O)[C@]1(C)CC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388474501 333313087 /nfs/dbraw/zinc/31/30/87/333313087.db2.gz JGRDXQUSXAYESL-PKOBYXMFSA-N 1 3 315.461 2.109 20 0 DEADHO CC(C)[NH+](CCCNC(=O)[C@H](CN)c1ccccc1)C(C)C ZINC000582963188 337219463 /nfs/dbraw/zinc/21/94/63/337219463.db2.gz UEVVOSUJRQLLJX-QGZVFWFLSA-N 1 3 305.466 2.354 20 0 DEADHO CN(C)C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000583089008 337239218 /nfs/dbraw/zinc/23/92/18/337239218.db2.gz GCMDCEWRUOYYNF-HUUCEWRRSA-N 1 3 323.868 2.053 20 0 DEADHO CN(C)C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000583089008 337239219 /nfs/dbraw/zinc/23/92/19/337239219.db2.gz GCMDCEWRUOYYNF-HUUCEWRRSA-N 1 3 323.868 2.053 20 0 DEADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000584527430 337356044 /nfs/dbraw/zinc/35/60/44/337356044.db2.gz LWSJCOQKBAMVDQ-XJKSGUPXSA-N 1 3 321.490 2.074 20 0 DEADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+])N(C)C)cc1 ZINC000580548689 341874699 /nfs/dbraw/zinc/87/46/99/341874699.db2.gz COIOIFYICDWVKS-YCPHGPKFSA-N 1 3 306.454 2.023 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CCCC2)C1)N(C)C ZINC001376506468 1159482528 /nfs/dbraw/zinc/48/25/28/1159482528.db2.gz DNLYJIYHYWCVFX-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CC2CCCC2)C1)N(C)C ZINC001376506468 1159482563 /nfs/dbraw/zinc/48/25/63/1159482563.db2.gz DNLYJIYHYWCVFX-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]2C1 ZINC001397213909 1160058095 /nfs/dbraw/zinc/05/80/95/1160058095.db2.gz GJAXWWDYPFSEFF-CVEARBPZSA-N 1 3 309.498 2.155 20 0 DEADHO CCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]2C1 ZINC001397213909 1160058104 /nfs/dbraw/zinc/05/81/04/1160058104.db2.gz GJAXWWDYPFSEFF-CVEARBPZSA-N 1 3 309.498 2.155 20 0 DEADHO CC[C@H](F)CN1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001377449044 1160378360 /nfs/dbraw/zinc/37/83/60/1160378360.db2.gz URMNGPRORUIPSL-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@]1(C[NH2+]C(C)C)CCCC[C@@H]1C ZINC001378418301 1152322413 /nfs/dbraw/zinc/32/24/13/1152322413.db2.gz DGDPOSJCFDANLV-GUYCJALGSA-N 1 3 306.454 2.324 20 0 DEADHO C[C@H]1CCc2ccccc2N1C(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000443063864 533778313 /nfs/dbraw/zinc/77/83/13/533778313.db2.gz XHTKZDNEZFZEKD-JKSUJKDBSA-N 1 3 315.461 2.415 20 0 DEADHO COc1cccc([C@H](CN[C@H]2CC[NH2+]CC[C@H]2C)N(C)C)c1 ZINC000422726120 533782333 /nfs/dbraw/zinc/78/23/33/533782333.db2.gz DCJWZQRXEGWDRG-JLSDUUJJSA-N 1 3 305.466 2.276 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)NC[C@@H]([NH3+])C1CC1)c1ccccc1 ZINC000417694893 533784776 /nfs/dbraw/zinc/78/47/76/533784776.db2.gz AFBMNSLTVVYFIS-XJKSGUPXSA-N 1 3 318.465 2.152 20 0 DEADHO C[C@@H](CNC(=O)C1CCN(Cc2ccccc2)CC1)C[NH+](C)C ZINC000294393496 533888596 /nfs/dbraw/zinc/88/85/96/533888596.db2.gz WQLKFOBZRKLTGK-INIZCTEOSA-N 1 3 317.477 2.213 20 0 DEADHO C[C@H](NCc1cccc(OCCN(C)C)c1)[C@H]1CCCC[NH2+]1 ZINC000422896198 533928863 /nfs/dbraw/zinc/92/88/63/533928863.db2.gz HPJVQEZONTYEFE-MAUKXSAKSA-N 1 3 305.466 2.247 20 0 DEADHO CCc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCN2C)cc1 ZINC001378809576 1152453296 /nfs/dbraw/zinc/45/32/96/1152453296.db2.gz ZDOFAEDXXTZRFP-MAUKXSAKSA-N 1 3 317.477 2.280 20 0 DEADHO Cc1ccc(CNC(=O)[C@H](C)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443058210 534041361 /nfs/dbraw/zinc/04/13/61/534041361.db2.gz JTXVZBRBWPJIOB-DOTOQJQBSA-N 1 3 303.450 2.061 20 0 DEADHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cc(C)ccc1F)N(C)C ZINC001378841202 1152464154 /nfs/dbraw/zinc/46/41/54/1152464154.db2.gz JANWUOACWKQLBF-RHSMWYFYSA-N 1 3 323.456 2.411 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CCCN1C ZINC000417995897 534242827 /nfs/dbraw/zinc/24/28/27/534242827.db2.gz DOGZOCKLXRNSEJ-PVAVHDDUSA-N 1 3 318.465 2.249 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000246223973 519677677 /nfs/dbraw/zinc/67/76/77/519677677.db2.gz BOWRMGLQEBJADC-NVXWUHKLSA-N 1 3 303.450 2.313 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000246223973 519677679 /nfs/dbraw/zinc/67/76/79/519677679.db2.gz BOWRMGLQEBJADC-NVXWUHKLSA-N 1 3 303.450 2.313 20 0 DEADHO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000338472479 520731362 /nfs/dbraw/zinc/73/13/62/520731362.db2.gz YPGAGPAKFAQSNM-HOTGVXAUSA-N 1 3 312.502 2.136 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000423606231 534721273 /nfs/dbraw/zinc/72/12/73/534721273.db2.gz HXYYNEBVNFDGOF-MRXNPFEDSA-N 1 3 307.482 2.276 20 0 DEADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H](CNC(=O)c2ccco2)C1 ZINC000338380517 523822807 /nfs/dbraw/zinc/82/28/07/523822807.db2.gz KSFGIXCTWSVIGJ-HZPDHXFCSA-N 1 3 319.449 2.206 20 0 DEADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H](CNC(=O)c2ccco2)C1 ZINC000338380517 523822813 /nfs/dbraw/zinc/82/28/13/523822813.db2.gz KSFGIXCTWSVIGJ-HZPDHXFCSA-N 1 3 319.449 2.206 20 0 DEADHO CN(C)C/C=C/C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000365150807 524034057 /nfs/dbraw/zinc/03/40/57/524034057.db2.gz NWBUBOTZMCCKLC-UXBLZVDNSA-N 1 3 307.482 2.219 20 0 DEADHO CN(C)C/C=C/C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000365150807 524034059 /nfs/dbraw/zinc/03/40/59/524034059.db2.gz NWBUBOTZMCCKLC-UXBLZVDNSA-N 1 3 307.482 2.219 20 0 DEADHO C[C@@H](C(=O)NC1CCN([C@H](C)c2ccccc2)CC1)[C@H](C)[NH3+] ZINC000248975604 524172128 /nfs/dbraw/zinc/17/21/28/524172128.db2.gz DTWBEEBBZMCDIQ-QLFBSQMISA-N 1 3 303.450 2.312 20 0 DEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CCN2CCCC2)C1 ZINC000112745655 524214372 /nfs/dbraw/zinc/21/43/72/524214372.db2.gz ZHEDYCMRYFLHKM-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CCN2CCCC2)C1 ZINC000112745655 524214379 /nfs/dbraw/zinc/21/43/79/524214379.db2.gz ZHEDYCMRYFLHKM-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H]1C[C@H](CCNCc2cnnn2C)C[N@@H+]1Cc1ccccc1 ZINC000338177410 524896170 /nfs/dbraw/zinc/89/61/70/524896170.db2.gz FXBDTPOGGFQUKC-RDJZCZTQSA-N 1 3 313.449 2.205 20 0 DEADHO C[C@H]1C[C@H](CCNCc2cnnn2C)C[N@H+]1Cc1ccccc1 ZINC000338177410 524896179 /nfs/dbraw/zinc/89/61/79/524896179.db2.gz FXBDTPOGGFQUKC-RDJZCZTQSA-N 1 3 313.449 2.205 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000418560383 527663922 /nfs/dbraw/zinc/66/39/22/527663922.db2.gz YVJZUIGIHDFYQR-SFHVURJKSA-N 1 3 324.513 2.140 20 0 DEADHO CC1(C)C[C@H](NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CO1 ZINC000417977643 527744371 /nfs/dbraw/zinc/74/43/71/527744371.db2.gz HDFWNBFAUNAUQJ-ZWKOTPCHSA-N 1 3 318.461 2.300 20 0 DEADHO CC1(C)C[C@H](NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)CO1 ZINC000417977643 527744378 /nfs/dbraw/zinc/74/43/78/527744378.db2.gz HDFWNBFAUNAUQJ-ZWKOTPCHSA-N 1 3 318.461 2.300 20 0 DEADHO CCN(CC)C(=O)CCC[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422954385 528011144 /nfs/dbraw/zinc/01/11/44/528011144.db2.gz HLWRMXGPLIKERC-ZDUSSCGKSA-N 1 3 306.454 2.148 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)NC[C@H]([NH3+])C(C)C)cc1 ZINC000418357196 528134360 /nfs/dbraw/zinc/13/43/60/528134360.db2.gz QQDNZJFSWXMRMJ-HOTGVXAUSA-N 1 3 306.454 2.092 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)NC[C@H]([NH3+])C(C)C)cc1 ZINC000418357201 528143693 /nfs/dbraw/zinc/14/36/93/528143693.db2.gz QQDNZJFSWXMRMJ-JKSUJKDBSA-N 1 3 306.454 2.092 20 0 DEADHO CCOC(=O)c1csc(CC[NH2+][C@@H]2CCCCC[C@@H]2N)n1 ZINC000423065741 528337430 /nfs/dbraw/zinc/33/74/30/528337430.db2.gz BWPPDLXSSLNKPP-NWDGAFQWSA-N 1 3 311.451 2.112 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418468011 528893941 /nfs/dbraw/zinc/89/39/41/528893941.db2.gz SPPHWPDCSTUWOO-UHFFFAOYSA-N 1 3 312.502 2.280 20 0 DEADHO CCC([NH3+])(CC)CNC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000418427087 528926764 /nfs/dbraw/zinc/92/67/64/528926764.db2.gz AFGDSFZNBARNJU-UHFFFAOYSA-N 1 3 324.469 2.260 20 0 DEADHO CCN1CCN(Cc2ccc(N[C@H]3C[NH2+]CC[C@@H]3C)cc2)CC1 ZINC000422920688 529149420 /nfs/dbraw/zinc/14/94/20/529149420.db2.gz MQJQYUNNHNQFDX-LPHOPBHVSA-N 1 3 316.493 2.234 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)NC1CCC([NH3+])CC1)c1ccco1 ZINC000418167248 529182920 /nfs/dbraw/zinc/18/29/20/529182920.db2.gz MGDQYHXWEOMZBL-VXGQWTEUSA-N 1 3 322.453 2.278 20 0 DEADHO CC[C@@H](NCc1ccc(OCCN(C)C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422896425 529185003 /nfs/dbraw/zinc/18/50/03/529185003.db2.gz IGWXARYAEYPSBR-MSOLQXFVSA-N 1 3 305.466 2.247 20 0 DEADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCNC(C)(C)C2)C1 ZINC000417580091 529216261 /nfs/dbraw/zinc/21/62/61/529216261.db2.gz CEUBNJQJWSTFQB-HNNXBMFYSA-N 1 3 324.513 2.280 20 0 DEADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCNC(C)(C)C2)C1 ZINC000417580091 529216265 /nfs/dbraw/zinc/21/62/65/529216265.db2.gz CEUBNJQJWSTFQB-HNNXBMFYSA-N 1 3 324.513 2.280 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000417711617 529272373 /nfs/dbraw/zinc/27/23/73/529272373.db2.gz YKOSBGZLCPKNCR-GOEBONIOSA-N 1 3 310.486 2.020 20 0 DEADHO CC[C@@H]1CCC[C@@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000448838742 529306068 /nfs/dbraw/zinc/30/60/68/529306068.db2.gz WZCYMHOMZSPHHP-QAPCUYQASA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]2[C@H]2CCCO2)CC1 ZINC000375350341 535198300 /nfs/dbraw/zinc/19/83/00/535198300.db2.gz VHRZYGPLSJBFGV-ZWKOTPCHSA-N 1 3 309.498 2.046 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H]2[C@H]2CCCO2)CC1 ZINC000375350341 535198303 /nfs/dbraw/zinc/19/83/03/535198303.db2.gz VHRZYGPLSJBFGV-ZWKOTPCHSA-N 1 3 309.498 2.046 20 0 DEADHO CCN1CCC[C@@H](NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)C1 ZINC000188480195 535531845 /nfs/dbraw/zinc/53/18/45/535531845.db2.gz GVVGSSJIINSEEJ-JKSUJKDBSA-N 1 3 310.486 2.034 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000251544816 535602105 /nfs/dbraw/zinc/60/21/05/535602105.db2.gz GRILZBBAKPIECQ-CVEARBPZSA-N 1 3 310.486 2.034 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000262477155 535676436 /nfs/dbraw/zinc/67/64/36/535676436.db2.gz JRCFVXJFMHHFPY-RHSMWYFYSA-N 1 3 303.450 2.041 20 0 DEADHO CCN(Cc1ccc(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1)C1CC1 ZINC000261912911 535781885 /nfs/dbraw/zinc/78/18/85/535781885.db2.gz YHILOTRYAYGGND-GDBMZVCRSA-N 1 3 315.461 2.480 20 0 DEADHO CN1CCC2(CCC[N@@H+]2Cc2ccc(-n3cncn3)cc2)CC1 ZINC000375470239 536348954 /nfs/dbraw/zinc/34/89/54/536348954.db2.gz CVCBHYHMCZQYOV-UHFFFAOYSA-N 1 3 311.433 2.328 20 0 DEADHO CN1CCC2(CCC[N@H+]2Cc2ccc(-n3cncn3)cc2)CC1 ZINC000375470239 536348956 /nfs/dbraw/zinc/34/89/56/536348956.db2.gz CVCBHYHMCZQYOV-UHFFFAOYSA-N 1 3 311.433 2.328 20 0 DEADHO COCCCOc1cccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000346835564 536627336 /nfs/dbraw/zinc/62/73/36/536627336.db2.gz TZELFELJYNUIJK-JQHSSLGASA-N 1 3 304.434 2.271 20 0 DEADHO CO[C@H]1CC[N@H+](CCCN2CCN(C(C)C)CC2)CC1(C)C ZINC000451555687 536745065 /nfs/dbraw/zinc/74/50/65/536745065.db2.gz JWSYHGMXNVRCHZ-KRWDZBQOSA-N 1 3 311.514 2.149 20 0 DEADHO CO[C@H]1CC[N@@H+](CCCN2CCN(C(C)C)CC2)CC1(C)C ZINC000451555687 536745073 /nfs/dbraw/zinc/74/50/73/536745073.db2.gz JWSYHGMXNVRCHZ-KRWDZBQOSA-N 1 3 311.514 2.149 20 0 DEADHO C[NH+](C)C1CCN(CCN[C@H]2CCCc3ccc(O)cc32)CC1 ZINC000284004435 538127913 /nfs/dbraw/zinc/12/79/13/538127913.db2.gz HWWXULAXTBTRMD-IBGZPJMESA-N 1 3 317.477 2.385 20 0 DEADHO CC(C)[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CC[C@H](C)F ZINC001378974345 1152514913 /nfs/dbraw/zinc/51/49/13/1152514913.db2.gz ZBXFGNMXVTXIAG-LSDHHAIUSA-N 1 3 315.477 2.339 20 0 DEADHO CC(C)[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001379020864 1152533282 /nfs/dbraw/zinc/53/32/82/1152533282.db2.gz IYTCVRLEIHMPID-DLBZAZTESA-N 1 3 309.498 2.484 20 0 DEADHO CC(C)[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCCN1C(C)C ZINC001379020870 1152533380 /nfs/dbraw/zinc/53/33/80/1152533380.db2.gz IYTCVRLEIHMPID-SJORKVTESA-N 1 3 309.498 2.484 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCCN2C)cc1F ZINC001379109308 1152570507 /nfs/dbraw/zinc/57/05/07/1152570507.db2.gz TWLGYGIOPUWIHL-YOEHRIQHSA-N 1 3 321.440 2.165 20 0 DEADHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CCc1ccccc1 ZINC001368738023 1148629205 /nfs/dbraw/zinc/62/92/05/1148629205.db2.gz VCJHHMCVIYHYFA-IRXDYDNUSA-N 1 3 317.477 2.055 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001379445784 1152625311 /nfs/dbraw/zinc/62/53/11/1152625311.db2.gz AKCLANNJZHMTLY-CZUORRHYSA-N 1 3 309.429 2.069 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001379461000 1152628152 /nfs/dbraw/zinc/62/81/52/1152628152.db2.gz OBNJIQAJUPSNCQ-CYBMUJFWSA-N 1 3 318.465 2.325 20 0 DEADHO C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820402003 607014767 /nfs/dbraw/zinc/01/47/67/607014767.db2.gz BHBJMPHNENJNBX-OLZOCXBDSA-N 1 3 314.437 2.248 20 0 DEADHO C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820402003 607014768 /nfs/dbraw/zinc/01/47/68/607014768.db2.gz BHBJMPHNENJNBX-OLZOCXBDSA-N 1 3 314.437 2.248 20 0 DEADHO CC(C)C[NH2+]C[C@@]1(C)CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001380422019 1152809730 /nfs/dbraw/zinc/80/97/30/1152809730.db2.gz JGUZEPWSXMKKSJ-GOSISDBHSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001382341233 1153429397 /nfs/dbraw/zinc/42/93/97/1153429397.db2.gz HEWRPELVUPVJRW-DLBZAZTESA-N 1 3 309.498 2.391 20 0 DEADHO CC1CC(C[N@@H+]2CCC[C@H](NC(=O)C(C)(C)N3CCCC3)C2)C1 ZINC001008166208 625367398 /nfs/dbraw/zinc/36/73/98/625367398.db2.gz ZEKBNOAWKCTMJH-JCYILVPMSA-N 1 3 321.509 2.488 20 0 DEADHO CC1CC(C[N@H+]2CCC[C@H](NC(=O)C(C)(C)N3CCCC3)C2)C1 ZINC001008166208 625367402 /nfs/dbraw/zinc/36/74/02/625367402.db2.gz ZEKBNOAWKCTMJH-JCYILVPMSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](F)CCN1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001008166297 625367633 /nfs/dbraw/zinc/36/76/33/625367633.db2.gz ZPHBLPMCHFJWLL-GJZGRUSLSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H](F)CCN1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001008166294 625367754 /nfs/dbraw/zinc/36/77/54/625367754.db2.gz ZPHBLPMCHFJWLL-CABCVRRESA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CCOC23CCOCC3)C1 ZINC000925585881 625414253 /nfs/dbraw/zinc/41/42/53/625414253.db2.gz AVDQYZRDVDNLHF-IAGOWNOFSA-N 1 3 310.482 2.282 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]CC2CCCC2)C1)N(C)C ZINC001024039600 625555085 /nfs/dbraw/zinc/55/50/85/625555085.db2.gz ZNHYKBHQKBZDQS-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CC[NH+](CC)CCO[C@@H]1CCN(c2cc(N)ncc2Cl)C1 ZINC000892775196 625580749 /nfs/dbraw/zinc/58/07/49/625580749.db2.gz UHXXDQGLHDNTNZ-GFCCVEGCSA-N 1 3 312.845 2.254 20 0 DEADHO C[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1)c1ccccc1 ZINC001020590004 622929601 /nfs/dbraw/zinc/92/96/01/622929601.db2.gz JTBGAJMCPMZOEY-MVJTYMMSSA-N 1 3 315.461 2.326 20 0 DEADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](NCc2ccccc2F)C1 ZINC000969948913 623016830 /nfs/dbraw/zinc/01/68/30/623016830.db2.gz NHPUPVUVAQQEOH-GDBMZVCRSA-N 1 3 319.424 2.001 20 0 DEADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NCc2ccccc2F)C1 ZINC000969948913 623016835 /nfs/dbraw/zinc/01/68/35/623016835.db2.gz NHPUPVUVAQQEOH-GDBMZVCRSA-N 1 3 319.424 2.001 20 0 DEADHO CC(C)=CCN1CC([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000970044864 623073753 /nfs/dbraw/zinc/07/37/53/623073753.db2.gz OWPFKHODDIHQIZ-HNNXBMFYSA-N 1 3 305.466 2.018 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]([NH2+]CCC3CC3)C2)c1 ZINC001021090475 623336853 /nfs/dbraw/zinc/33/68/53/623336853.db2.gz GLOGFDWDDGADCF-IYARVYRRSA-N 1 3 315.461 2.399 20 0 DEADHO C[C@H]1C[C@H](Nc2ccncc2CO)CC[N@@H+]1Cc1ccccc1 ZINC000892845216 625660216 /nfs/dbraw/zinc/66/02/16/625660216.db2.gz AZGFIGAUVOTIQV-MAUKXSAKSA-N 1 3 311.429 2.461 20 0 DEADHO C[C@H]1C[C@H](Nc2ccncc2CO)CC[N@H+]1Cc1ccccc1 ZINC000892845216 625660221 /nfs/dbraw/zinc/66/02/21/625660221.db2.gz AZGFIGAUVOTIQV-MAUKXSAKSA-N 1 3 311.429 2.461 20 0 DEADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)c(C)s1 ZINC000970719582 623641964 /nfs/dbraw/zinc/64/19/64/623641964.db2.gz HKWRFGDRADKXKA-MRXNPFEDSA-N 1 3 321.490 2.151 20 0 DEADHO CC(C)[NH+]1CC([C@@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC000970928426 623797602 /nfs/dbraw/zinc/79/76/02/623797602.db2.gz KSCLQYWDDFTYAL-CQSZACIVSA-N 1 3 303.450 2.207 20 0 DEADHO CC[C@@]1(C(=O)N[C@H](C)CN(C)Cc2ccccc2)CCC[NH2+]1 ZINC000261532535 623841156 /nfs/dbraw/zinc/84/11/56/623841156.db2.gz ALXUKOBGVBAQDB-QAPCUYQASA-N 1 3 303.450 2.155 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC000971202019 624068683 /nfs/dbraw/zinc/06/86/83/624068683.db2.gz RYUBPTSVTYQTLC-CVEARBPZSA-N 1 3 307.482 2.050 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC000971202019 624068684 /nfs/dbraw/zinc/06/86/84/624068684.db2.gz RYUBPTSVTYQTLC-CVEARBPZSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)C1CCCN(C2CC2)C1=O ZINC000924050670 624115643 /nfs/dbraw/zinc/11/56/43/624115643.db2.gz IDICUMUPLWUJPU-JKSUJKDBSA-N 1 3 322.449 2.194 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H]1COC(=O)C1CCCN(C2CC2)C1=O ZINC000924050670 624115644 /nfs/dbraw/zinc/11/56/44/624115644.db2.gz IDICUMUPLWUJPU-JKSUJKDBSA-N 1 3 322.449 2.194 20 0 DEADHO OCc1c[nH+]ccc1NC[C@@H](c1ccco1)N1CCCCC1 ZINC000891484060 624212596 /nfs/dbraw/zinc/21/25/96/624212596.db2.gz BCGCYMTZAJNKLM-INIZCTEOSA-N 1 3 301.390 2.228 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)CN1C1CC1 ZINC000891658924 624519686 /nfs/dbraw/zinc/51/96/86/624519686.db2.gz BCPXKBQQDASFKI-LBTNJELSSA-N 1 3 322.497 2.018 20 0 DEADHO C[C@H](NC(=O)NCCC(C)(C)[NH3+])[C@H](c1ccccc1)N(C)C ZINC000891894295 624649406 /nfs/dbraw/zinc/64/94/06/624649406.db2.gz FJSIQVGQQJTHEH-DZGCQCFKSA-N 1 3 306.454 2.104 20 0 DEADHO C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)C1(Br)CC1 ZINC000926286477 624651543 /nfs/dbraw/zinc/65/15/43/624651543.db2.gz FNJQZFHJGLLLLC-STQMWFEESA-N 1 3 319.287 2.393 20 0 DEADHO C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)C1(Br)CC1 ZINC000926286477 624651545 /nfs/dbraw/zinc/65/15/45/624651545.db2.gz FNJQZFHJGLLLLC-STQMWFEESA-N 1 3 319.287 2.393 20 0 DEADHO Cc1nc(N2CCN(CC3CC[NH+](C)CC3)CC2)sc1C ZINC000892120322 624788778 /nfs/dbraw/zinc/78/87/78/624788778.db2.gz GQIVJVSWPVCATI-UHFFFAOYSA-N 1 3 308.495 2.224 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001022711273 624863268 /nfs/dbraw/zinc/86/32/68/624863268.db2.gz VVZRIPHJWWCLLZ-RRQGHBQHSA-N 1 3 319.424 2.047 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001022712955 624865839 /nfs/dbraw/zinc/86/58/39/624865839.db2.gz DTHMZMUGBVZHCS-OLMNPRSZSA-N 1 3 315.461 2.074 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC2)C1 ZINC001022807108 624937492 /nfs/dbraw/zinc/93/74/92/624937492.db2.gz DVAIPZSSSMJYEO-IXDOHACOSA-N 1 3 307.482 2.286 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC2CC3(CCC3)C2)C1)N(C)C ZINC000972355186 624939513 /nfs/dbraw/zinc/93/95/13/624939513.db2.gz SORXITWSELURRU-SJORKVTESA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2CC3(CCC3)C2)C1)N(C)C ZINC000972355186 624939514 /nfs/dbraw/zinc/93/95/14/624939514.db2.gz SORXITWSELURRU-SJORKVTESA-N 1 3 321.509 2.440 20 0 DEADHO CC1CCN([C@@H](CN[C@@H]2C[NH2+]CCOC2)c2cccs2)CC1 ZINC000925503572 625107155 /nfs/dbraw/zinc/10/71/55/625107155.db2.gz OJUKDNNTTAJOOK-CVEARBPZSA-N 1 3 323.506 2.099 20 0 DEADHO CC(C)CN1CCC([NH2+][C@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000892531973 625107330 /nfs/dbraw/zinc/10/73/30/625107330.db2.gz GNHHCDDXXCMIGW-CVEARBPZSA-N 1 3 314.445 2.330 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCC3)C[C@H]21 ZINC001026148650 625155686 /nfs/dbraw/zinc/15/56/86/625155686.db2.gz WZCJWFCOXGFVJJ-QZIVSUOLSA-N 1 3 319.493 2.096 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21 ZINC001026148650 625155688 /nfs/dbraw/zinc/15/56/88/625155688.db2.gz WZCJWFCOXGFVJJ-QZIVSUOLSA-N 1 3 319.493 2.096 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001025084836 625200182 /nfs/dbraw/zinc/20/01/82/625200182.db2.gz JAHJADXTYMYJOL-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)(C)N1CCC([NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000892633040 625208674 /nfs/dbraw/zinc/20/86/74/625208674.db2.gz QMVVDQATNPJWHN-GJZGRUSLSA-N 1 3 314.445 2.473 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N1CC[C@H]2[C@H]1CCCN2C)C(C)C ZINC000893370065 625766049 /nfs/dbraw/zinc/76/60/49/625766049.db2.gz IRBNPLFNTWSROX-DLBZAZTESA-N 1 3 324.513 2.373 20 0 DEADHO CC(C)=CCN1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001024438745 625776438 /nfs/dbraw/zinc/77/64/38/625776438.db2.gz VYLYACNYBBDBGP-MSOLQXFVSA-N 1 3 319.493 2.265 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CC2=CCCCC2)C1)C1CC1 ZINC000999369014 634577483 /nfs/dbraw/zinc/57/74/83/634577483.db2.gz ILAPMIKFIGVMNA-ZWKOTPCHSA-N 1 3 319.493 2.408 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CC2CCCC2)C1)C1CC1 ZINC000999372235 634578233 /nfs/dbraw/zinc/57/82/33/634578233.db2.gz OPCGLCGQKAOKHI-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO CC1(C)C[C@@H]([NH3+])C[C@H](NCC2(S(C)(=O)=O)CCCCC2)C1 ZINC000925706741 633267934 /nfs/dbraw/zinc/26/79/34/633267934.db2.gz FYGAPODZVREUBH-KBPBESRZSA-N 1 3 316.511 2.230 20 0 DEADHO CC1CC(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001027066414 633386792 /nfs/dbraw/zinc/38/67/92/633386792.db2.gz QFFPDHVDEUMBGE-CGZBRXJRSA-N 1 3 321.509 2.203 20 0 DEADHO CC1CC(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001027139312 633455396 /nfs/dbraw/zinc/45/53/96/633455396.db2.gz FZZYXPRPFQGUKJ-ADKAHSJRSA-N 1 3 321.509 2.203 20 0 DEADHO O=C(CN1CCCC1)N1CCC([NH2+]CC2=CCCCC2)CC1 ZINC000997307469 633704480 /nfs/dbraw/zinc/70/44/80/633704480.db2.gz RSPISBMWHAEPGP-UHFFFAOYSA-N 1 3 305.466 2.163 20 0 DEADHO C[N@H+](CC1CC1)[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027577716 634187795 /nfs/dbraw/zinc/18/77/95/634187795.db2.gz RJQQHNYGOQUOJC-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO C[N@@H+](CC1CC1)[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027577716 634187799 /nfs/dbraw/zinc/18/77/99/634187799.db2.gz RJQQHNYGOQUOJC-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H](NCCC(C)(C)[NH3+])[C@H](c1ccccc1)N1CCOCC1 ZINC000925740043 634332676 /nfs/dbraw/zinc/33/26/76/634332676.db2.gz GNSICPMGTLBZGJ-NVXWUHKLSA-N 1 3 305.466 2.165 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC(C)C ZINC001027918815 634965100 /nfs/dbraw/zinc/96/51/00/634965100.db2.gz QINOHSVTKACGRG-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC(C)C ZINC001027918815 634965103 /nfs/dbraw/zinc/96/51/03/634965103.db2.gz QINOHSVTKACGRG-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO C[N@H+](CC1CC(C)(C)C1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980405831 634988727 /nfs/dbraw/zinc/98/87/27/634988727.db2.gz KSXCIOZUKIIJIN-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO C[N@@H+](CC1CC(C)(C)C1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980405831 634988729 /nfs/dbraw/zinc/98/87/29/634988729.db2.gz KSXCIOZUKIIJIN-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001000319230 635143068 /nfs/dbraw/zinc/14/30/68/635143068.db2.gz BUJMGDNNJBVMIO-HNNXBMFYSA-N 1 3 302.422 2.033 20 0 DEADHO CC[C@H](F)CN1CCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001028002637 635211937 /nfs/dbraw/zinc/21/19/37/635211937.db2.gz FXYDWQZEMHKREV-GJZGRUSLSA-N 1 3 318.396 2.277 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCC1=CC[N@H+](CCC2CC2)CC1 ZINC001000679170 635275032 /nfs/dbraw/zinc/27/50/32/635275032.db2.gz OLLVYFCBQKMRMZ-SFHVURJKSA-N 1 3 319.493 2.408 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CCC2CC2)CC1 ZINC001000679170 635275038 /nfs/dbraw/zinc/27/50/38/635275038.db2.gz OLLVYFCBQKMRMZ-SFHVURJKSA-N 1 3 319.493 2.408 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC2CCC2)C1 ZINC001001005569 635377254 /nfs/dbraw/zinc/37/72/54/635377254.db2.gz DVTKDZKVVYBEHS-DLBZAZTESA-N 1 3 307.482 2.242 20 0 DEADHO CCO[C@H](CC[NH+](C)C)CNCc1nccc2c1CCCC2 ZINC000921827658 635431800 /nfs/dbraw/zinc/43/18/00/635431800.db2.gz OUBHIDUEQFDLCM-MRXNPFEDSA-N 1 3 305.466 2.407 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCCN(CC2CC2)CC1 ZINC000981523486 635515062 /nfs/dbraw/zinc/51/50/62/635515062.db2.gz RIZLWSGPJJJOFT-QGZVFWFLSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCCN(CC2CC2)CC1 ZINC000981523486 635515066 /nfs/dbraw/zinc/51/50/66/635515066.db2.gz RIZLWSGPJJJOFT-QGZVFWFLSA-N 1 3 307.482 2.051 20 0 DEADHO COC[C@@H](NCCN1CCC([NH3+])CC1)c1cccc(Cl)c1 ZINC000925817720 635597069 /nfs/dbraw/zinc/59/70/69/635597069.db2.gz VZIKGLHQVNXUPX-MRXNPFEDSA-N 1 3 311.857 2.040 20 0 DEADHO CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC000982052578 635845158 /nfs/dbraw/zinc/84/51/58/635845158.db2.gz QKQRVIKGXIWCQH-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC000982052578 635845161 /nfs/dbraw/zinc/84/51/61/635845161.db2.gz QKQRVIKGXIWCQH-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000261541156 635887925 /nfs/dbraw/zinc/88/79/25/635887925.db2.gz FRDIAYWYRGCVEV-QAPCUYQASA-N 1 3 303.450 2.155 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@H+](CC(C)C)C2 ZINC000982163548 635890171 /nfs/dbraw/zinc/89/01/71/635890171.db2.gz FXIMSKAWCPFNMY-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC(C)C)C2 ZINC000982163548 635890174 /nfs/dbraw/zinc/89/01/74/635890174.db2.gz FXIMSKAWCPFNMY-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC1CC(C[NH+]2CCC(NC(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001003628127 636007668 /nfs/dbraw/zinc/00/76/68/636007668.db2.gz LWEZRMRENMDUGM-HWOWSKLDSA-N 1 3 307.482 2.097 20 0 DEADHO COC(=O)[C@@H]1[C@@H](CN2CCC(C[N@H+](C)C(C)C)CC2)C1(F)F ZINC000893966757 636077887 /nfs/dbraw/zinc/07/78/87/636077887.db2.gz DWJAIWFQTFIFQD-KGLIPLIRSA-N 1 3 318.408 2.093 20 0 DEADHO COC(=O)[C@@H]1[C@@H](CN2CCC(C[N@@H+](C)C(C)C)CC2)C1(F)F ZINC000893966757 636077888 /nfs/dbraw/zinc/07/78/88/636077888.db2.gz DWJAIWFQTFIFQD-KGLIPLIRSA-N 1 3 318.408 2.093 20 0 DEADHO Cc1cc(CN2CCC[C@@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)cs1 ZINC001028316737 636127485 /nfs/dbraw/zinc/12/74/85/636127485.db2.gz UEVJYUROAZZONI-JKSUJKDBSA-N 1 3 321.490 2.089 20 0 DEADHO Cc1cc(CN2CCC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)cs1 ZINC001028316737 636127486 /nfs/dbraw/zinc/12/74/86/636127486.db2.gz UEVJYUROAZZONI-JKSUJKDBSA-N 1 3 321.490 2.089 20 0 DEADHO Cc1ncc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)s1 ZINC000922386109 636152080 /nfs/dbraw/zinc/15/20/80/636152080.db2.gz FSHQYZYVFXGORI-WCVJEAGWSA-N 1 3 309.479 2.021 20 0 DEADHO Cc1ncc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)s1 ZINC000922386109 636152082 /nfs/dbraw/zinc/15/20/82/636152082.db2.gz FSHQYZYVFXGORI-WCVJEAGWSA-N 1 3 309.479 2.021 20 0 DEADHO Cc1ncc(CN[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)s1 ZINC000922386104 636152091 /nfs/dbraw/zinc/15/20/91/636152091.db2.gz FSHQYZYVFXGORI-KLHDSHLOSA-N 1 3 309.479 2.021 20 0 DEADHO Cc1ncc(CN[C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)s1 ZINC000922386104 636152093 /nfs/dbraw/zinc/15/20/93/636152093.db2.gz FSHQYZYVFXGORI-KLHDSHLOSA-N 1 3 309.479 2.021 20 0 DEADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cccc(O)c3)C2)[C@H]1C(C)C ZINC000922391518 636153494 /nfs/dbraw/zinc/15/34/94/636153494.db2.gz FFCUUBUFBASFJL-MKXGPGLRSA-N 1 3 318.461 2.352 20 0 DEADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cccc(O)c3)C2)[C@H]1C(C)C ZINC000922391518 636153497 /nfs/dbraw/zinc/15/34/97/636153497.db2.gz FFCUUBUFBASFJL-MKXGPGLRSA-N 1 3 318.461 2.352 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)NC1CCC([NH3+])CC1 ZINC000237046403 636351179 /nfs/dbraw/zinc/35/11/79/636351179.db2.gz SOZUXGDAGPRMTI-UHFFFAOYSA-N 1 3 315.417 2.494 20 0 DEADHO CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@H]3C)C[C@@]2(C)C1 ZINC000982832077 636496543 /nfs/dbraw/zinc/49/65/43/636496543.db2.gz UFELXBSKPFMDBD-RWQQGDIJSA-N 1 3 321.509 2.440 20 0 DEADHO CCC[N@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@H]3C)C[C@@]2(C)C1 ZINC000982832077 636496548 /nfs/dbraw/zinc/49/65/48/636496548.db2.gz UFELXBSKPFMDBD-RWQQGDIJSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC(C)C)C[C@H]2CC1)N(C)C ZINC000946642922 636517066 /nfs/dbraw/zinc/51/70/66/636517066.db2.gz VTXZTMPZCFHVJD-IXDOHACOSA-N 1 3 309.498 2.153 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CC(C)C)C[C@H]2CC1)N(C)C ZINC000946642922 636517069 /nfs/dbraw/zinc/51/70/69/636517069.db2.gz VTXZTMPZCFHVJD-IXDOHACOSA-N 1 3 309.498 2.153 20 0 DEADHO CCc1nc(CN2CCC(C[NH2+]Cc3c[nH]cn3)CC2)cs1 ZINC000894261155 636596335 /nfs/dbraw/zinc/59/63/35/636596335.db2.gz HOKDQTXCNNYTHG-UHFFFAOYSA-N 1 3 319.478 2.430 20 0 DEADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](N)CC1CC1 ZINC000319796897 636751197 /nfs/dbraw/zinc/75/11/97/636751197.db2.gz AMTMFSXRLOFUNB-QGZVFWFLSA-N 1 3 303.450 2.272 20 0 DEADHO CCCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001028844964 636783540 /nfs/dbraw/zinc/78/35/40/636783540.db2.gz FCMCOKMSIJDJOO-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001028844964 636783542 /nfs/dbraw/zinc/78/35/42/636783542.db2.gz FCMCOKMSIJDJOO-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]([NH2+]CC1CCCC1)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001029065918 637025357 /nfs/dbraw/zinc/02/53/57/637025357.db2.gz NBKYKRZOOZRVBU-CRAIPNDOSA-N 1 3 321.509 2.488 20 0 DEADHO COc1ccc(CN(C)CC[N@H+](C)C2CCN(C)CC2)c(C)c1 ZINC000894454059 637044903 /nfs/dbraw/zinc/04/49/03/637044903.db2.gz LSBFIFIHHZBDFN-UHFFFAOYSA-N 1 3 319.493 2.461 20 0 DEADHO COc1ccc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)c(C)c1 ZINC000894454059 637044905 /nfs/dbraw/zinc/04/49/05/637044905.db2.gz LSBFIFIHHZBDFN-UHFFFAOYSA-N 1 3 319.493 2.461 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001005991480 637046195 /nfs/dbraw/zinc/04/61/95/637046195.db2.gz MUKPFFUCMLZDQF-HZPDHXFCSA-N 1 3 309.498 2.297 20 0 DEADHO CC1CC(C[NH+]2CCC(N(C)C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001005994674 637052546 /nfs/dbraw/zinc/05/25/46/637052546.db2.gz HCZSITLCJZBXBF-AQFXKWCLSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[C@](C)(C[NH3+])NC[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000923296803 637097855 /nfs/dbraw/zinc/09/78/55/637097855.db2.gz XAYHBMSXTKGEBU-NEWSRXKRSA-N 1 3 320.477 2.405 20 0 DEADHO CN(CCOc1ccc(Cl)cc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923297595 637098737 /nfs/dbraw/zinc/09/87/37/637098737.db2.gz KVGSCDPDFYRFNI-HNNXBMFYSA-N 1 3 310.825 2.029 20 0 DEADHO C[C@H](c1ccccc1)N(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(N)=O ZINC000923317832 637108468 /nfs/dbraw/zinc/10/84/68/637108468.db2.gz VBWCYWGIURBDQS-DUZACMNTSA-N 1 3 315.461 2.456 20 0 DEADHO CCc1nc(C)c([C@H](C)N(C)C[C@H]2CC3(C[NH2+]C3)CO2)s1 ZINC000923325434 637117994 /nfs/dbraw/zinc/11/79/94/637117994.db2.gz ULKJWKQKPOSNMH-QWHCGFSZSA-N 1 3 309.479 2.385 20 0 DEADHO CCCSC[C@H](C)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000894600593 637119170 /nfs/dbraw/zinc/11/91/70/637119170.db2.gz IEJCEJKNWUIFSO-HNNXBMFYSA-N 1 3 315.527 2.100 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)CN2CC[C@@H]([C@@H](C)[NH3+])C2)c1C ZINC000923333532 637119876 /nfs/dbraw/zinc/11/98/76/637119876.db2.gz XQMKQQHPDMDDGR-BRWVUGGUSA-N 1 3 306.450 2.021 20 0 DEADHO O[C@@H](CN1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccc(F)cc1F ZINC000923357449 637131444 /nfs/dbraw/zinc/13/14/44/637131444.db2.gz NTBMZCGQKLJHOT-DYVFJYSZSA-N 1 3 310.388 2.320 20 0 DEADHO CCc1onc(C)c1CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000923375525 637145128 /nfs/dbraw/zinc/14/51/28/637145128.db2.gz NUEVSWYDVPFIGC-WBVHZDCISA-N 1 3 307.438 2.264 20 0 DEADHO C[C@@H]1CN(C[C@H](O)Cc2ccccc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000923410388 637164835 /nfs/dbraw/zinc/16/48/35/637164835.db2.gz GKLYIKNWSSEMOJ-KWCYVHTRSA-N 1 3 316.367 2.135 20 0 DEADHO COc1ccc(C)cc1CN1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923454455 637190457 /nfs/dbraw/zinc/19/04/57/637190457.db2.gz PRNTUTWGSAROAJ-MRXNPFEDSA-N 1 3 304.434 2.333 20 0 DEADHO CC(C)[C@@H](NC(=O)CN1CC[C@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000923486442 637200275 /nfs/dbraw/zinc/20/02/75/637200275.db2.gz GNXABJSGXACERB-KBXCAEBGSA-N 1 3 321.440 2.310 20 0 DEADHO C[C@@H]1CN([C@@H]2CCCN(c3cccc(F)c3)C2=O)CC[C@H]1C[NH3+] ZINC000923495410 637206413 /nfs/dbraw/zinc/20/64/13/637206413.db2.gz CADXQOZGRZMUBO-JKIFEVAISA-N 1 3 319.424 2.238 20 0 DEADHO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N1CC[C@@H](CC[NH3+])C1 ZINC000923492042 637210882 /nfs/dbraw/zinc/21/08/82/637210882.db2.gz MTQLJPXNFNYYIQ-RBSFLKMASA-N 1 3 301.434 2.023 20 0 DEADHO CCN(Cc1cccc(F)c1)C(=O)CN1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923499154 637215715 /nfs/dbraw/zinc/21/57/15/637215715.db2.gz KOIIRJZVPLOQET-ZBFHGGJFSA-N 1 3 321.440 2.091 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923504364 637220059 /nfs/dbraw/zinc/22/00/59/637220059.db2.gz QUNDLTOAXPHWBL-QROFKTNTSA-N 1 3 309.498 2.233 20 0 DEADHO C[C@H]([NH2+]CC1CCCC1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001029173254 637291217 /nfs/dbraw/zinc/29/12/17/637291217.db2.gz NFBSJQCRRQYUIF-INIZCTEOSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H](NCCC(=O)N1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000838930034 637719656 /nfs/dbraw/zinc/71/96/56/637719656.db2.gz QBHAROSPYXNKSQ-HOTGVXAUSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H](NCCC(=O)N1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000838930034 637719658 /nfs/dbraw/zinc/71/96/58/637719658.db2.gz QBHAROSPYXNKSQ-HOTGVXAUSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)[C@@H]1CCCN(C)C1 ZINC000895963806 638286150 /nfs/dbraw/zinc/28/61/50/638286150.db2.gz JAJHNGPVHFXQNG-DLBZAZTESA-N 1 3 322.497 2.129 20 0 DEADHO CN(C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)[C@@H]1CCCN(C)C1 ZINC000895963806 638286156 /nfs/dbraw/zinc/28/61/56/638286156.db2.gz JAJHNGPVHFXQNG-DLBZAZTESA-N 1 3 322.497 2.129 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@H](NC[C@@H]2CCCC[NH2+]2)C1 ZINC000841033606 650410326 /nfs/dbraw/zinc/41/03/26/650410326.db2.gz XGICVJFWKHHAOY-AGIUHOORSA-N 1 3 304.381 2.085 20 0 DEADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001029503160 639004728 /nfs/dbraw/zinc/00/47/28/639004728.db2.gz LBOWWYDLJCRSPN-YESZJQIVSA-N 1 3 307.482 2.335 20 0 DEADHO C[C@@H](CNC(=O)Nc1ccc2c(c1)CNC2)[NH+]1CCCCC1 ZINC000841330152 650475985 /nfs/dbraw/zinc/47/59/85/650475985.db2.gz BAEYJVPRXROOOI-ZDUSSCGKSA-N 1 3 302.422 2.286 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](C)CC2CCCC2)CC1 ZINC000985332678 639289918 /nfs/dbraw/zinc/28/99/18/639289918.db2.gz RMNAAINWWRTBHN-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)CC2CCCC2)CC1 ZINC000985332678 639289923 /nfs/dbraw/zinc/28/99/23/639289923.db2.gz RMNAAINWWRTBHN-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO CC[C@H](NCCN1CCC([NH+](C)C)CC1)c1cccc(OC)n1 ZINC000925217301 639608137 /nfs/dbraw/zinc/60/81/37/639608137.db2.gz XJJJRJSQEUVOBQ-INIZCTEOSA-N 1 3 320.481 2.157 20 0 DEADHO C[N@H+](CC1CC(C)(C)C1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985786385 639635189 /nfs/dbraw/zinc/63/51/89/639635189.db2.gz AXKZBECXQMMUAO-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO C[N@@H+](CC1CC(C)(C)C1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985786385 639635193 /nfs/dbraw/zinc/63/51/93/639635193.db2.gz AXKZBECXQMMUAO-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1cccc2c1OCO2 ZINC000925240845 639741720 /nfs/dbraw/zinc/74/17/20/639741720.db2.gz LHXDKAFUQOYYNR-KGLIPLIRSA-N 1 3 308.422 2.423 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H]1C ZINC000987058976 640067988 /nfs/dbraw/zinc/06/79/88/640067988.db2.gz OGHTYOHKFBGMFQ-RHSMWYFYSA-N 1 3 312.417 2.040 20 0 DEADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C)cc1 ZINC000987520876 640212337 /nfs/dbraw/zinc/21/23/37/640212337.db2.gz UAOQJTTWMPTVOT-SJLPKXTDSA-N 1 3 315.461 2.170 20 0 DEADHO C[C@@H]1[C@H]([NH2+]CC2CC2)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC000987565654 640223428 /nfs/dbraw/zinc/22/34/28/640223428.db2.gz FMMGBAGZKZQOSN-RDTXWAMCSA-N 1 3 315.461 2.351 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc(Cl)n1 ZINC000841849082 650578749 /nfs/dbraw/zinc/57/87/49/650578749.db2.gz PHHHNYXTNFNISC-YUTCNCBUSA-N 1 3 324.856 2.067 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC2CCCC2)CN1C(=O)CN1CCC(C)CC1 ZINC000989606475 641167485 /nfs/dbraw/zinc/16/74/85/641167485.db2.gz RNVMGSHFWWHRHE-AEFFLSMTSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)CN1C(=O)CN1CCCC1 ZINC000989799347 641237565 /nfs/dbraw/zinc/23/75/65/641237565.db2.gz LMULYNNKAOHMDQ-WBVHZDCISA-N 1 3 319.493 2.242 20 0 DEADHO CCc1noc(C)c1[C@@H](C)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000769879116 641305139 /nfs/dbraw/zinc/30/51/39/641305139.db2.gz ZZOWQULFJILFBN-HIFRSBDPSA-N 1 3 309.454 2.433 20 0 DEADHO CCc1noc(C)c1[C@@H](C)NCCCC[N@H+]1CCC[C@H]1CO ZINC000769879116 641305142 /nfs/dbraw/zinc/30/51/42/641305142.db2.gz ZZOWQULFJILFBN-HIFRSBDPSA-N 1 3 309.454 2.433 20 0 DEADHO Cc1ccccc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000990275621 641430184 /nfs/dbraw/zinc/43/01/84/641430184.db2.gz BYCWKKVMBFUKMO-SFHVURJKSA-N 1 3 315.461 2.170 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC[C@@H]2C)C1 ZINC000841064855 641542269 /nfs/dbraw/zinc/54/22/69/641542269.db2.gz VIBXPGFQLHDLIW-CRWXNKLISA-N 1 3 318.408 2.331 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]([NH+](C)C)C23CCC3)c1 ZINC000898839926 641812287 /nfs/dbraw/zinc/81/22/87/641812287.db2.gz FIUCFRBULZCSJS-IRXDYDNUSA-N 1 3 315.461 2.351 20 0 DEADHO Cc1ncc(CN(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000774744232 641956861 /nfs/dbraw/zinc/95/68/61/641956861.db2.gz YJOIAJHRZZYTJE-HNNXBMFYSA-N 1 3 308.495 2.052 20 0 DEADHO CCC[NH+]1CCC(NC[C@H](O)CC[C@H](O)c2ccccc2)CC1 ZINC000899861757 642194954 /nfs/dbraw/zinc/19/49/54/642194954.db2.gz XWTNTSVAQXOJFN-MOPGFXCFSA-N 1 3 320.477 2.325 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)N(C)C ZINC000900708762 642448482 /nfs/dbraw/zinc/44/84/82/642448482.db2.gz LVJVDGLCAZETFG-ZACQAIPSSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)N(C)C ZINC000900708762 642448486 /nfs/dbraw/zinc/44/84/86/642448486.db2.gz LVJVDGLCAZETFG-ZACQAIPSSA-N 1 3 309.498 2.440 20 0 DEADHO Cc1cccc(OC[C@@H](O)CN[C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902348900 643004253 /nfs/dbraw/zinc/00/42/53/643004253.db2.gz NZDRZJGBKAEHFY-CVEARBPZSA-N 1 3 306.450 2.103 20 0 DEADHO CO[C@@H]1CCC[C@H]1NCc1ccncc1OCCC[NH+](C)C ZINC000903170677 643280774 /nfs/dbraw/zinc/28/07/74/643280774.db2.gz AOFTWOICSGSXFO-HZPDHXFCSA-N 1 3 307.438 2.069 20 0 DEADHO C(C1CC1)N1CCC([NH2+][C@H]2CCCN3CCSC[C@H]23)CC1 ZINC000903269920 643306270 /nfs/dbraw/zinc/30/62/70/643306270.db2.gz BMEKZHAOCFNIJO-DLBZAZTESA-N 1 3 309.523 2.030 20 0 DEADHO CCOc1ccc(CN(C)C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903718323 643438324 /nfs/dbraw/zinc/43/83/24/643438324.db2.gz KRXPCUUKLUYGON-ROUUACIJSA-N 1 3 304.434 2.286 20 0 DEADHO COC(=O)c1ccc(CN2CC[C@H]([C@@H](C)[NH3+])C2)c2ncccc12 ZINC000903742520 643450645 /nfs/dbraw/zinc/45/06/45/643450645.db2.gz BYDWSOSSQSPXJB-OLZOCXBDSA-N 1 3 313.401 2.191 20 0 DEADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N([C@@H]1CCN(c3ccc(Cl)cc3)C1=O)C2 ZINC000903843433 643481497 /nfs/dbraw/zinc/48/14/97/643481497.db2.gz LCQXJCNGRHCHEC-RUAUBTSSSA-N 1 3 319.836 2.257 20 0 DEADHO CN(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCN(c2ccccc2)C1=O ZINC000903890446 643490247 /nfs/dbraw/zinc/49/02/47/643490247.db2.gz CBXHURKESVNDJB-MMNRESRNSA-N 1 3 313.445 2.254 20 0 DEADHO Cc1c(C[C@H](C[NH3+])CN(C)Cc2ccc(C)cc2)cnn1C ZINC000903873563 643492633 /nfs/dbraw/zinc/49/26/33/643492633.db2.gz SKSRBZJDMDYNDG-QGZVFWFLSA-N 1 3 300.450 2.286 20 0 DEADHO FC1(F)CCNC[C@H]1C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000903953842 643527853 /nfs/dbraw/zinc/52/78/53/643527853.db2.gz KXLMFUYSEFQSBQ-AWEZNQCLSA-N 1 3 306.360 2.207 20 0 DEADHO Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@@H]2CNCCC2(F)F)o1 ZINC000903956113 643529966 /nfs/dbraw/zinc/52/99/66/643529966.db2.gz HATVTDAJWDBWIG-ZDUSSCGKSA-N 1 3 324.375 2.323 20 0 DEADHO COC(=O)c1ccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1C ZINC000904301978 643630779 /nfs/dbraw/zinc/63/07/79/643630779.db2.gz QVGFRONNRXBONU-BHYGNILZSA-N 1 3 302.418 2.341 20 0 DEADHO COc1ccc(OC(F)F)c(CN2CC[C@H](CC[NH3+])C2)c1 ZINC000904405683 643660242 /nfs/dbraw/zinc/66/02/42/643660242.db2.gz MPCUIBMGUGCXEZ-NSHDSACASA-N 1 3 300.349 2.467 20 0 DEADHO COc1ccc(CN2CC[C@@H](C[NH3+])[C@@H](C)C2)c(OC)c1OC ZINC000904412257 643662836 /nfs/dbraw/zinc/66/28/36/643662836.db2.gz QYLSVJGYJCCHOX-STQMWFEESA-N 1 3 308.422 2.129 20 0 DEADHO C[NH2+]C[C@@H]1CCCCN1C(=O)Nc1cccc(CN(C)C)c1 ZINC000905296029 643849627 /nfs/dbraw/zinc/84/96/27/643849627.db2.gz MABKAKFZHDHLIL-INIZCTEOSA-N 1 3 304.438 2.354 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC000906451518 644253991 /nfs/dbraw/zinc/25/39/91/644253991.db2.gz UJGHANQMIWVUFV-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC000906451518 644253995 /nfs/dbraw/zinc/25/39/95/644253995.db2.gz UJGHANQMIWVUFV-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO C[NH+]1CCC(ONC(=O)c2ccc(NC3=NCCC3)cc2)CC1 ZINC000908029490 644726191 /nfs/dbraw/zinc/72/61/91/644726191.db2.gz LQSFNZWWLCIHHV-UHFFFAOYSA-N 1 3 316.405 2.046 20 0 DEADHO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000908415389 644852426 /nfs/dbraw/zinc/85/24/26/644852426.db2.gz NKGHUUNHCQUEMQ-XJKSGUPXSA-N 1 3 314.433 2.455 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1CCC2(CC1)CC[NH+](C)CC2 ZINC000908494463 644876671 /nfs/dbraw/zinc/87/66/71/644876671.db2.gz FQTNYOJHLNDPMP-UHFFFAOYSA-N 1 3 304.438 2.031 20 0 DEADHO CN(C)[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000911666669 645769471 /nfs/dbraw/zinc/76/94/71/645769471.db2.gz JBJPGSXXEIYWON-IAGOWNOFSA-N 1 3 318.465 2.073 20 0 DEADHO CN(C)[C@H](CNC(=O)NC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000911666669 645769475 /nfs/dbraw/zinc/76/94/75/645769475.db2.gz JBJPGSXXEIYWON-IAGOWNOFSA-N 1 3 318.465 2.073 20 0 DEADHO C[NH+]1CCC(CCNCc2cnc(C3OCCO3)s2)CC1 ZINC000809615822 646246890 /nfs/dbraw/zinc/24/68/90/646246890.db2.gz DSPKRKMUHNIBGF-UHFFFAOYSA-N 1 3 311.451 2.010 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)c1 ZINC000913284086 646315010 /nfs/dbraw/zinc/31/50/10/646315010.db2.gz SJLIPABUQVFZHQ-KDURUIRLSA-N 1 3 315.461 2.162 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)c1 ZINC000913284086 646315011 /nfs/dbraw/zinc/31/50/11/646315011.db2.gz SJLIPABUQVFZHQ-KDURUIRLSA-N 1 3 315.461 2.162 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c1 ZINC000913284088 646315085 /nfs/dbraw/zinc/31/50/85/646315085.db2.gz SJLIPABUQVFZHQ-RTBURBONSA-N 1 3 315.461 2.162 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000810141882 646330658 /nfs/dbraw/zinc/33/06/58/646330658.db2.gz OMOQLYUKPPEJPU-PBHICJAKSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000810141882 646330663 /nfs/dbraw/zinc/33/06/63/646330663.db2.gz OMOQLYUKPPEJPU-PBHICJAKSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)[NH2+][C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810281568 646347667 /nfs/dbraw/zinc/34/76/67/646347667.db2.gz BIJSVNIGHZJDKQ-YOEHRIQHSA-N 1 3 313.461 2.188 20 0 DEADHO COC(=O)[C@@H]1CCCC[C@H]1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000929695896 646940256 /nfs/dbraw/zinc/94/02/56/646940256.db2.gz IUKNPTJPEOSLDK-IXDOHACOSA-N 1 3 308.466 2.384 20 0 DEADHO COC(=O)[C@@H]1CCCC[C@@H]1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000929695888 646940322 /nfs/dbraw/zinc/94/03/22/646940322.db2.gz IUKNPTJPEOSLDK-GVDBMIGSSA-N 1 3 308.466 2.384 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCCC[C@H]([NH2+]CC2CCC2)C1 ZINC001388791108 1155089233 /nfs/dbraw/zinc/08/92/33/1155089233.db2.gz GSLICTKMLVWUGH-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1cc(F)ccc1[C@@H](C)[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000815575977 647031970 /nfs/dbraw/zinc/03/19/70/647031970.db2.gz GLHRKSQWWUNKIP-HUUCEWRRSA-N 1 3 321.440 2.372 20 0 DEADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCCCc3cnn(C)n3)CC2)C1 ZINC000815639986 647037303 /nfs/dbraw/zinc/03/73/03/647037303.db2.gz MOGUYAFNSDKDDB-YJBOKZPZSA-N 1 3 319.497 2.380 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NCC2([NH+](C)C)CCCCCC2)CCN1C ZINC000913914581 647096822 /nfs/dbraw/zinc/09/68/22/647096822.db2.gz QRWGOSRGJYSBPU-CABCVRRESA-N 1 3 310.486 2.033 20 0 DEADHO C[NH+](C)C1CCC(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000817484906 647303532 /nfs/dbraw/zinc/30/35/32/647303532.db2.gz GTXBZYKZXWVAAU-MQBCKMQZSA-N 1 3 313.461 2.188 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000817898663 647376342 /nfs/dbraw/zinc/37/63/42/647376342.db2.gz IXJXVVSLWSEXSX-PIGZYNQJSA-N 1 3 303.381 2.372 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](CCO)Cc1ccccc1 ZINC000817931892 647385740 /nfs/dbraw/zinc/38/57/40/647385740.db2.gz UQCWDPWKXKJZPN-WMLDXEAASA-N 1 3 313.445 2.493 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](CCO)Cc1ccccc1 ZINC000817931893 647386227 /nfs/dbraw/zinc/38/62/27/647386227.db2.gz UQCWDPWKXKJZPN-YOEHRIQHSA-N 1 3 313.445 2.493 20 0 DEADHO CN(C)c1ccc(N2CCC(NCC[NH2+]C3CC3)CC2)cc1 ZINC000817952618 647391766 /nfs/dbraw/zinc/39/17/66/647391766.db2.gz GNUOYIKDIVJBFQ-UHFFFAOYSA-N 1 3 302.466 2.063 20 0 DEADHO C[C@H]([NH2+][C@H]1CNCC[C@@H]1C)c1ccc(N2CCOC2=O)cc1 ZINC000817968042 647396599 /nfs/dbraw/zinc/39/65/99/647396599.db2.gz NQMJRNCEPOMQQL-XEZPLFJOSA-N 1 3 303.406 2.292 20 0 DEADHO C[NH+]1CCC(NC[C@H](O)c2ccc(Br)cc2)CC1 ZINC000818940883 647543975 /nfs/dbraw/zinc/54/39/75/647543975.db2.gz IXBRCWCPHRPKOR-AWEZNQCLSA-N 1 3 313.239 2.166 20 0 DEADHO CCCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001015696039 647777135 /nfs/dbraw/zinc/77/71/35/647777135.db2.gz TYTOANKVPOKXOZ-WMLDXEAASA-N 1 3 313.461 2.190 20 0 DEADHO CCCC[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001015696039 647777137 /nfs/dbraw/zinc/77/71/37/647777137.db2.gz TYTOANKVPOKXOZ-WMLDXEAASA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000820308884 647822149 /nfs/dbraw/zinc/82/21/49/647822149.db2.gz ORPOEHDPHOSBMO-WBVHZDCISA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000820308884 647822150 /nfs/dbraw/zinc/82/21/50/647822150.db2.gz ORPOEHDPHOSBMO-WBVHZDCISA-N 1 3 307.482 2.192 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccnc(Cl)c2)CC1 ZINC000154288502 647971836 /nfs/dbraw/zinc/97/18/36/647971836.db2.gz FMPTWTOOPMTALW-CQSZACIVSA-N 1 3 310.873 2.413 20 0 DEADHO O=C(CN1CCCC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000821214043 648011643 /nfs/dbraw/zinc/01/16/43/648011643.db2.gz WDEXUFMYHMEUTQ-UHFFFAOYSA-N 1 3 307.482 2.197 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000154619448 648051608 /nfs/dbraw/zinc/05/16/08/648051608.db2.gz QLCYZZHPTCQEQR-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000154619448 648051610 /nfs/dbraw/zinc/05/16/10/648051610.db2.gz QLCYZZHPTCQEQR-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000930060387 648129895 /nfs/dbraw/zinc/12/98/95/648129895.db2.gz LXAWKIOTBYKRLO-AQGHMYMLSA-N 1 3 314.420 2.461 20 0 DEADHO C[N@H+]1CC=C(C[NH2+][C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)CC1 ZINC000826021620 648839916 /nfs/dbraw/zinc/83/99/16/648839916.db2.gz AOYABGXJGCVBGO-KRWDZBQOSA-N 1 3 324.432 2.096 20 0 DEADHO C[N@@H+]1CC=C(C[NH2+][C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)CC1 ZINC000826021620 648839919 /nfs/dbraw/zinc/83/99/19/648839919.db2.gz AOYABGXJGCVBGO-KRWDZBQOSA-N 1 3 324.432 2.096 20 0 DEADHO C[N@H+]1CC=C(C[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)CC1 ZINC000826021620 648839920 /nfs/dbraw/zinc/83/99/20/648839920.db2.gz AOYABGXJGCVBGO-KRWDZBQOSA-N 1 3 324.432 2.096 20 0 DEADHO C[N@@H+]1CC=C(C[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)CC1 ZINC000826021620 648839921 /nfs/dbraw/zinc/83/99/21/648839921.db2.gz AOYABGXJGCVBGO-KRWDZBQOSA-N 1 3 324.432 2.096 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC000826833028 648933688 /nfs/dbraw/zinc/93/36/88/648933688.db2.gz WLIZXTDWAXQRST-BRWVUGGUSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H]1CN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000827406827 649029622 /nfs/dbraw/zinc/02/96/22/649029622.db2.gz QGONHPDBUCAJNB-OALUTQOASA-N 1 3 323.525 2.436 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H]1CN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000827406827 649029626 /nfs/dbraw/zinc/02/96/26/649029626.db2.gz QGONHPDBUCAJNB-OALUTQOASA-N 1 3 323.525 2.436 20 0 DEADHO CC[N@H+](CCC1CCN(CC[S@](C)=O)CC1)CC1CC1 ZINC000828610464 649202240 /nfs/dbraw/zinc/20/22/40/649202240.db2.gz FFJIGKBURUHSGP-FQEVSTJZSA-N 1 3 300.512 2.199 20 0 DEADHO CC[N@@H+](CCC1CCN(CC[S@](C)=O)CC1)CC1CC1 ZINC000828610464 649202242 /nfs/dbraw/zinc/20/22/42/649202242.db2.gz FFJIGKBURUHSGP-FQEVSTJZSA-N 1 3 300.512 2.199 20 0 DEADHO CC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000995237889 649212455 /nfs/dbraw/zinc/21/24/55/649212455.db2.gz WANOWSUWLVTWEH-WMLDXEAASA-N 1 3 303.450 2.256 20 0 DEADHO CCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@H](C)C1 ZINC000942557841 649243884 /nfs/dbraw/zinc/24/38/84/649243884.db2.gz NWJPXIWROJFSAA-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@H](C)C1 ZINC000942557841 649243887 /nfs/dbraw/zinc/24/38/87/649243887.db2.gz NWJPXIWROJFSAA-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](CNC(=O)C[C@@H]([NH3+])C1CC1)N1CCc2ccccc2C1 ZINC000831823279 649647295 /nfs/dbraw/zinc/64/72/95/649647295.db2.gz VMXRFCCMFWJCRM-QZTJIDSGSA-N 1 3 315.461 2.067 20 0 DEADHO CC(C)[C@H](C(=O)Nc1cccc(OCC[NH3+])c1)N1CCCCC1 ZINC000844163825 651085049 /nfs/dbraw/zinc/08/50/49/651085049.db2.gz IKDVWXSMLXBFPR-QGZVFWFLSA-N 1 3 319.449 2.473 20 0 DEADHO C[NH+]1CCC([C@@H]2CCN(CN3C(=O)CC34CCCC4)C2)CC1 ZINC000844697709 651156507 /nfs/dbraw/zinc/15/65/07/651156507.db2.gz HDFSXEXCTSXZQB-MRXNPFEDSA-N 1 3 305.466 2.153 20 0 DEADHO CN1c2ccc(CN3C[C@@H]4CCC[C@]4(C[NH3+])C3)cc2CCC1=O ZINC000844902935 651180945 /nfs/dbraw/zinc/18/09/45/651180945.db2.gz YDPDZIROHXOHDD-LPHOPBHVSA-N 1 3 313.445 2.156 20 0 DEADHO C[C@@H]1C[C@@H]1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000848990365 651573007 /nfs/dbraw/zinc/57/30/07/651573007.db2.gz DSSMTPIBZBAOFR-GDBMZVCRSA-N 1 3 300.450 2.421 20 0 DEADHO COC[C@@H](C)CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000848998086 651576499 /nfs/dbraw/zinc/57/64/99/651576499.db2.gz NZALBGVNUCMKTP-HNNXBMFYSA-N 1 3 318.465 2.047 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)cc1C ZINC000849013315 651582284 /nfs/dbraw/zinc/58/22/84/651582284.db2.gz CURDRAHNEBDUCY-HNNXBMFYSA-N 1 3 304.438 2.102 20 0 DEADHO CCCCn1cc(CNC(=[NH2+])NC[C@@H]2CCCN2CC)c(C)n1 ZINC000849075546 651598772 /nfs/dbraw/zinc/59/87/72/651598772.db2.gz IFJSREUSHSSZDZ-INIZCTEOSA-N 1 3 320.485 2.090 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C\c1ccccc1 ZINC000855345635 651678560 /nfs/dbraw/zinc/67/85/60/651678560.db2.gz DDGBWGOHJARZFE-JNSOCZORSA-N 1 3 303.450 2.088 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C\c1ccccc1 ZINC000855345635 651678561 /nfs/dbraw/zinc/67/85/61/651678561.db2.gz DDGBWGOHJARZFE-JNSOCZORSA-N 1 3 303.450 2.088 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[N@@H+](C)CC[C@H](C)F)C1 ZINC001389749922 1155415458 /nfs/dbraw/zinc/41/54/58/1155415458.db2.gz XBGLYIZYFUSTIU-HOTGVXAUSA-N 1 3 315.477 2.245 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[N@H+](C)CC[C@H](C)F)C1 ZINC001389749922 1155415465 /nfs/dbraw/zinc/41/54/65/1155415465.db2.gz XBGLYIZYFUSTIU-HOTGVXAUSA-N 1 3 315.477 2.245 20 0 DEADHO C[C@H]([NH3+])CCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000857112863 652053833 /nfs/dbraw/zinc/05/38/33/652053833.db2.gz RVYPPBRYRYRPMW-JKSUJKDBSA-N 1 3 318.465 2.030 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H]2CCc3ccc(Cl)nc32)CC1 ZINC000857901559 652200592 /nfs/dbraw/zinc/20/05/92/652200592.db2.gz LQROUKMUWKOJCA-HNNXBMFYSA-N 1 3 322.884 2.340 20 0 DEADHO C[C@H](CNC(=O)CC[NH+](C)C)NCc1ccc(F)c(Cl)c1 ZINC001390470854 1155742220 /nfs/dbraw/zinc/74/22/20/1155742220.db2.gz RVSGGANBQXFVAQ-LLVKDONJSA-N 1 3 315.820 2.025 20 0 DEADHO CN(CC(=O)NCC[C@@H]1CC[N@H+](C/C=C/Cl)C1)C1CCC1 ZINC001391309091 1156327522 /nfs/dbraw/zinc/32/75/22/1156327522.db2.gz IYBMDSFMXHGHNE-SMDADKPZSA-N 1 3 313.873 2.051 20 0 DEADHO CN(CC(=O)NCC[C@@H]1CC[N@@H+](C/C=C/Cl)C1)C1CCC1 ZINC001391309091 1156327528 /nfs/dbraw/zinc/32/75/28/1156327528.db2.gz IYBMDSFMXHGHNE-SMDADKPZSA-N 1 3 313.873 2.051 20 0 DEADHO CC[N@@H+](CCNC(=O)Cc1nc[nH]c1C)CC1CCCCC1 ZINC001372459409 1156436093 /nfs/dbraw/zinc/43/60/93/1156436093.db2.gz KYDKXQYYBXYRKP-UHFFFAOYSA-N 1 3 306.454 2.279 20 0 DEADHO Cc1ccc(F)c(CNC[C@H](C)N(C)C(=O)CC[NH+](C)C)c1 ZINC001392123907 1156872199 /nfs/dbraw/zinc/87/21/99/1156872199.db2.gz TXIBCBHDDCGDHK-AWEZNQCLSA-N 1 3 309.429 2.022 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]CC2CC(F)(F)C2)CCC1)N(C)C ZINC001393556276 1157862880 /nfs/dbraw/zinc/86/28/80/1157862880.db2.gz ORZFCXZEASMPCZ-ZDUSSCGKSA-N 1 3 317.424 2.000 20 0 DEADHO CCC1([NH2+]CCF)CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001393680673 1157899896 /nfs/dbraw/zinc/89/98/96/1157899896.db2.gz NLMYFUYDFQUTSE-UHFFFAOYSA-N 1 3 315.477 2.295 20 0 DEADHO CC(C)(C(=O)N[C@@H](C[NH2+]CC1CC1)C1CC1)N1CCCCC1 ZINC001375222617 1158389448 /nfs/dbraw/zinc/38/94/48/1158389448.db2.gz GTZPNXKLFGBWAN-INIZCTEOSA-N 1 3 307.482 2.145 20 0 DEADHO CCO[C@@H]1C[C@H](NC[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1OC ZINC000380939477 685399141 /nfs/dbraw/zinc/39/91/41/685399141.db2.gz LUFCKXBZQZMFQB-FCGDIQPGSA-N 1 3 318.461 2.291 20 0 DEADHO CCO[C@@H]1C[C@H](NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1OC ZINC000380939477 685399149 /nfs/dbraw/zinc/39/91/49/685399149.db2.gz LUFCKXBZQZMFQB-FCGDIQPGSA-N 1 3 318.461 2.291 20 0 DEADHO C[C@@H]1[C@H](NC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)CCN1C ZINC000928429692 693776334 /nfs/dbraw/zinc/77/63/34/693776334.db2.gz CZILVCNRUNEHGE-FHLIZLRMSA-N 1 3 315.461 2.318 20 0 DEADHO C[C@@H]1[C@H](NC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)CCN1C ZINC000928429692 693776337 /nfs/dbraw/zinc/77/63/37/693776337.db2.gz CZILVCNRUNEHGE-FHLIZLRMSA-N 1 3 315.461 2.318 20 0 DEADHO CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001054153028 693863859 /nfs/dbraw/zinc/86/38/59/693863859.db2.gz KGGLSBODKVJVHL-AEFFLSMTSA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001054153028 693863864 /nfs/dbraw/zinc/86/38/64/693863864.db2.gz KGGLSBODKVJVHL-AEFFLSMTSA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](CCCF)C2)C1)N(C)C ZINC001054199166 693878823 /nfs/dbraw/zinc/87/88/23/693878823.db2.gz OOWCQHLSCCQICR-RDJZCZTQSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CCCF)C2)C1)N(C)C ZINC001054199166 693878826 /nfs/dbraw/zinc/87/88/26/693878826.db2.gz OOWCQHLSCCQICR-RDJZCZTQSA-N 1 3 313.461 2.001 20 0 DEADHO CC(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001054198149 693879949 /nfs/dbraw/zinc/87/99/49/693879949.db2.gz QWVQXOGCKIMKOR-HKUYNNGSSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001054198149 693879950 /nfs/dbraw/zinc/87/99/50/693879950.db2.gz QWVQXOGCKIMKOR-HKUYNNGSSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@@H]([NH3+])CN(C)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000861581352 686149800 /nfs/dbraw/zinc/14/98/00/686149800.db2.gz NLFNYNDRINBHMH-WBVHZDCISA-N 1 3 318.465 2.202 20 0 DEADHO CC(C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001054646809 694014528 /nfs/dbraw/zinc/01/45/28/694014528.db2.gz DQLCCDGQIBCCRP-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO COCC(COC)[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000929754981 694020123 /nfs/dbraw/zinc/02/01/23/694020123.db2.gz RYTSGFGSDJQLGR-KRWDZBQOSA-N 1 3 306.450 2.102 20 0 DEADHO COCC(COC)[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000929754981 694020127 /nfs/dbraw/zinc/02/01/27/694020127.db2.gz RYTSGFGSDJQLGR-KRWDZBQOSA-N 1 3 306.450 2.102 20 0 DEADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]CC1CCCCC1 ZINC001054736761 694035208 /nfs/dbraw/zinc/03/52/08/694035208.db2.gz NPAWRBLWLCWVSO-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO COc1ccc([C@H](CN)C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)cc1 ZINC000866702997 687658293 /nfs/dbraw/zinc/65/82/93/687658293.db2.gz CUHMAHMYVRBUPG-BZUAXINKSA-N 1 3 306.475 2.422 20 0 DEADHO COc1ccc([C@H](CN)C[N@H+]2CC[C@@H]3CSC[C@H]3C2)cc1 ZINC000866702997 687658296 /nfs/dbraw/zinc/65/82/96/687658296.db2.gz CUHMAHMYVRBUPG-BZUAXINKSA-N 1 3 306.475 2.422 20 0 DEADHO COC[C@@H](C[NH+]1CCN(c2ccncc2OC)CC1)C(C)C ZINC000930295917 694130124 /nfs/dbraw/zinc/13/01/24/694130124.db2.gz JYFUCYRXTMXSBP-OAHLLOKOSA-N 1 3 307.438 2.131 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CC12CC[NH+](CC1CC1)CC2)N1CCCC1 ZINC001016760893 687697563 /nfs/dbraw/zinc/69/75/63/687697563.db2.gz DNRAFDVKWDNPNM-MRXNPFEDSA-N 1 3 319.493 2.242 20 0 DEADHO CN1CCC[C@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC000868363059 687991004 /nfs/dbraw/zinc/99/10/04/687991004.db2.gz ITCQWTHEYYSOPT-RDJZCZTQSA-N 1 3 322.497 2.177 20 0 DEADHO CN1CCC[C@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC000868363059 687991011 /nfs/dbraw/zinc/99/10/11/687991011.db2.gz ITCQWTHEYYSOPT-RDJZCZTQSA-N 1 3 322.497 2.177 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001019382396 688342964 /nfs/dbraw/zinc/34/29/64/688342964.db2.gz AGVNFXHNVYZFPO-AEFFLSMTSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)cs1 ZINC001019381793 688343189 /nfs/dbraw/zinc/34/31/89/688343189.db2.gz VGDAEFNDQZIZTD-CJNGLKHVSA-N 1 3 321.490 2.231 20 0 DEADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)cs1 ZINC001019381792 688343367 /nfs/dbraw/zinc/34/33/67/688343367.db2.gz VGDAEFNDQZIZTD-BBRMVZONSA-N 1 3 321.490 2.231 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC[C@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001019386362 688344131 /nfs/dbraw/zinc/34/41/31/688344131.db2.gz LRKFTXLLAULOKS-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC[C@H]([NH2+]CC3CCCC3)C2)C1 ZINC001019386276 688344212 /nfs/dbraw/zinc/34/42/12/688344212.db2.gz LDQMUBRRNJLPLV-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CCCC2)C1 ZINC001029674683 688564630 /nfs/dbraw/zinc/56/46/30/688564630.db2.gz IJRICZJULMUACK-IRXDYDNUSA-N 1 3 307.482 2.051 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001029674683 688564633 /nfs/dbraw/zinc/56/46/33/688564633.db2.gz IJRICZJULMUACK-IRXDYDNUSA-N 1 3 307.482 2.051 20 0 DEADHO CN(C)CCN(Cc1ccccc1)C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870861170 688670199 /nfs/dbraw/zinc/67/01/99/688670199.db2.gz GRIWXQHUPGUOCF-CALCHBBNSA-N 1 3 303.450 2.094 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000870872803 688673405 /nfs/dbraw/zinc/67/34/05/688673405.db2.gz KSVXAYPOJMFHGS-REPCXEQLSA-N 1 3 313.445 2.066 20 0 DEADHO [NH3+][C@H]1CC[C@H](C(=O)N2CCN(CC3CCCCC3)CC2)CC1 ZINC000870874647 688675068 /nfs/dbraw/zinc/67/50/68/688675068.db2.gz IDZWBLRYHGBZFX-QAQDUYKDSA-N 1 3 307.482 2.228 20 0 DEADHO CN(C)CCN(Cc1ccccc1F)C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870908727 688684057 /nfs/dbraw/zinc/68/40/57/688684057.db2.gz WLPNNHJGOMYXCK-FZNQNYSPSA-N 1 3 321.440 2.233 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000872023457 688915191 /nfs/dbraw/zinc/91/51/91/688915191.db2.gz SBGKAWDFYBASAF-IAGOWNOFSA-N 1 3 311.514 2.197 20 0 DEADHO CC[N@@H+]1CC[C@H](NCCOC(F)(F)C(F)(F)F)[C@H](C)C1 ZINC000872110801 688930835 /nfs/dbraw/zinc/93/08/35/688930835.db2.gz QMUBHAFEYJCDHM-ZJUUUORDSA-N 1 3 304.303 2.478 20 0 DEADHO CC[N@H+]1CC[C@H](NCCOC(F)(F)C(F)(F)F)[C@H](C)C1 ZINC000872110801 688930838 /nfs/dbraw/zinc/93/08/38/688930838.db2.gz QMUBHAFEYJCDHM-ZJUUUORDSA-N 1 3 304.303 2.478 20 0 DEADHO CN(CCCCCC[NH3+])CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000872155884 688940675 /nfs/dbraw/zinc/94/06/75/688940675.db2.gz ZQJZNQNNEBPPII-CYBMUJFWSA-N 1 3 323.403 2.238 20 0 DEADHO CCC(CC)C[NH+]1CC(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001031666523 688976281 /nfs/dbraw/zinc/97/62/81/688976281.db2.gz PFSLTHHAWWXTBO-KRWDZBQOSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCC1C[NH+](CC2CC(C)(C)C2)C1 ZINC001031666321 688976727 /nfs/dbraw/zinc/97/67/27/688976727.db2.gz MKYYLYMGEXEZPD-KRWDZBQOSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001032445956 689153483 /nfs/dbraw/zinc/15/34/83/689153483.db2.gz SMQNAPAXZXIZMM-BZSNNMDCSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001032445956 689153486 /nfs/dbraw/zinc/15/34/86/689153486.db2.gz SMQNAPAXZXIZMM-BZSNNMDCSA-N 1 3 319.493 2.335 20 0 DEADHO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]Cc1cc2c(s1)CCNC2 ZINC000873212359 689185149 /nfs/dbraw/zinc/18/51/49/689185149.db2.gz ZPZZSCOKXDZFNG-LLVKDONJSA-N 1 3 318.490 2.465 20 0 DEADHO C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCC2)CC1 ZINC001032603375 689198460 /nfs/dbraw/zinc/19/84/60/689198460.db2.gz ZFAIQKVNFQQLSH-ROUUACIJSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC(C)(C)C1)N(C)C ZINC001032610980 689200947 /nfs/dbraw/zinc/20/09/47/689200947.db2.gz BIBFILWBNJSXIM-YESZJQIVSA-N 1 3 321.509 2.294 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CC(C)(C)C1)N(C)C ZINC001032610980 689200948 /nfs/dbraw/zinc/20/09/48/689200948.db2.gz BIBFILWBNJSXIM-YESZJQIVSA-N 1 3 321.509 2.294 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)N(C)C ZINC001032611512 689201387 /nfs/dbraw/zinc/20/13/87/689201387.db2.gz LPHDYWRYJOQSAO-YESZJQIVSA-N 1 3 309.498 2.294 20 0 DEADHO CCC(CC)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)N(C)C ZINC001032611512 689201388 /nfs/dbraw/zinc/20/13/88/689201388.db2.gz LPHDYWRYJOQSAO-YESZJQIVSA-N 1 3 309.498 2.294 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCCC1 ZINC001032626478 689205643 /nfs/dbraw/zinc/20/56/43/689205643.db2.gz GUHDQOMMFWGCOX-NJAFHUGGSA-N 1 3 319.493 2.336 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCCC1 ZINC001032626478 689205646 /nfs/dbraw/zinc/20/56/46/689205646.db2.gz GUHDQOMMFWGCOX-NJAFHUGGSA-N 1 3 319.493 2.336 20 0 DEADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001032803968 689265530 /nfs/dbraw/zinc/26/55/30/689265530.db2.gz RMIFPTBHUIWWON-ULQDDVLXSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001033295579 689452303 /nfs/dbraw/zinc/45/23/03/689452303.db2.gz MISRIKRUGLWROF-SJORKVTESA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001033295579 689452306 /nfs/dbraw/zinc/45/23/06/689452306.db2.gz MISRIKRUGLWROF-SJORKVTESA-N 1 3 307.482 2.050 20 0 DEADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000874828421 689503410 /nfs/dbraw/zinc/50/34/10/689503410.db2.gz HXFKSSGQWYQTFE-ROUUACIJSA-N 1 3 315.461 2.099 20 0 DEADHO CCCCN(C[C@@H](O)[C@@H](C)O)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034199 694298931 /nfs/dbraw/zinc/29/89/31/694298931.db2.gz QCOCEIBIFZYIEW-UKRRQHHQSA-N 1 3 300.487 2.139 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CC2)C1 ZINC001034204309 689761445 /nfs/dbraw/zinc/76/14/45/689761445.db2.gz LSRLTGPAVSOAJX-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CC2)C1 ZINC001034204309 689761449 /nfs/dbraw/zinc/76/14/49/689761449.db2.gz LSRLTGPAVSOAJX-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000876723445 689915140 /nfs/dbraw/zinc/91/51/40/689915140.db2.gz AKRIPRPOZGPZPK-IXDOHACOSA-N 1 3 315.461 2.313 20 0 DEADHO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000876723443 689915457 /nfs/dbraw/zinc/91/54/57/689915457.db2.gz AKRIPRPOZGPZPK-BRWVUGGUSA-N 1 3 315.461 2.313 20 0 DEADHO CC(C)(C(=O)N[C@H]1CC[C@H]([NH2+]CCF)CC1)N1CCCCC1 ZINC001034644462 689918014 /nfs/dbraw/zinc/91/80/14/689918014.db2.gz LBIBHOJMOPYTQT-SHTZXODSSA-N 1 3 313.461 2.237 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876728663 689918574 /nfs/dbraw/zinc/91/85/74/689918574.db2.gz RVOXYGVIHSQGOH-DOMZBBRYSA-N 1 3 305.422 2.069 20 0 DEADHO CC(C)(C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC2)CC1)N1CCCC1 ZINC001034703860 689929847 /nfs/dbraw/zinc/92/98/47/689929847.db2.gz FLAVJYVCGGMOGD-WKILWMFISA-N 1 3 307.482 2.288 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000876876308 689961388 /nfs/dbraw/zinc/96/13/88/689961388.db2.gz NJQQFUYEPQBBPB-QAQDUYKDSA-N 1 3 309.498 2.474 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001034881675 689977232 /nfs/dbraw/zinc/97/72/32/689977232.db2.gz MFHRIKKEGUYKRS-SJORKVTESA-N 1 3 319.424 2.001 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001034883162 689977875 /nfs/dbraw/zinc/97/78/75/689977875.db2.gz MXRDFAVGXHOQBD-SJORKVTESA-N 1 3 305.466 2.162 20 0 DEADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cccc(Cl)c2N)CC1 ZINC000877017902 689998591 /nfs/dbraw/zinc/99/85/91/689998591.db2.gz WPPUUHPQTBTFAI-AWEZNQCLSA-N 1 3 324.900 2.285 20 0 DEADHO ClC1(Cl)C[C@@H]1C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000877054938 690009065 /nfs/dbraw/zinc/00/90/65/690009065.db2.gz LUPIGVZQEWSDLL-NWDGAFQWSA-N 1 3 307.265 2.271 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1F)N(C)C ZINC001035052364 690021663 /nfs/dbraw/zinc/02/16/63/690021663.db2.gz LWBHVYZCRFIGSJ-WBVHZDCISA-N 1 3 321.440 2.247 20 0 DEADHO CC1(C)CC[C@H](CNC(=O)C[C@@H]2NCc3ccccc32)[NH2+]C1 ZINC000877153472 690031624 /nfs/dbraw/zinc/03/16/24/690031624.db2.gz HPOFIVVIVUOVDC-ZBFHGGJFSA-N 1 3 301.434 2.115 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CC[C@H]([NH3+])CC3)C2)cc1 ZINC000877222034 690049397 /nfs/dbraw/zinc/04/93/97/690049397.db2.gz WHGSEEAIACNEMN-KZNAEPCWSA-N 1 3 315.461 2.203 20 0 DEADHO CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](CC)N(C)C)CC2 ZINC001035196903 690056886 /nfs/dbraw/zinc/05/68/86/690056886.db2.gz GTTWFRUDEKTNRA-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](CC)N(C)C)CC2 ZINC001035196903 690056889 /nfs/dbraw/zinc/05/68/89/690056889.db2.gz GTTWFRUDEKTNRA-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC3(CC[N@H+](CC4CC4)C3)CC2)C1 ZINC001035227438 690066480 /nfs/dbraw/zinc/06/64/80/690066480.db2.gz SASJFSLSTBZYCW-MRXNPFEDSA-N 1 3 319.493 2.053 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC3(CC[N@@H+](CC4CC4)C3)CC2)C1 ZINC001035227438 690066484 /nfs/dbraw/zinc/06/64/84/690066484.db2.gz SASJFSLSTBZYCW-MRXNPFEDSA-N 1 3 319.493 2.053 20 0 DEADHO CC(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001035234246 690069164 /nfs/dbraw/zinc/06/91/64/690069164.db2.gz QURAHRWYFBQPIJ-UHFFFAOYSA-N 1 3 318.465 2.313 20 0 DEADHO CC(C)CC[N@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001035234246 690069168 /nfs/dbraw/zinc/06/91/68/690069168.db2.gz QURAHRWYFBQPIJ-UHFFFAOYSA-N 1 3 318.465 2.313 20 0 DEADHO O=C(CN1CCCC1)N1CCC2(CC[N@H+](CC3CCC3)C2)CC1 ZINC001035254451 690074856 /nfs/dbraw/zinc/07/48/56/690074856.db2.gz HGGBJCKIZXEUCE-UHFFFAOYSA-N 1 3 319.493 2.197 20 0 DEADHO O=C(CN1CCCC1)N1CCC2(CC[N@@H+](CC3CCC3)C2)CC1 ZINC001035254451 690074858 /nfs/dbraw/zinc/07/48/58/690074858.db2.gz HGGBJCKIZXEUCE-UHFFFAOYSA-N 1 3 319.493 2.197 20 0 DEADHO O=C(C[C@H]1NCc2ccccc21)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877339980 690079880 /nfs/dbraw/zinc/07/98/80/690079880.db2.gz IKJYHDLAXBPPRN-IEBWSBKVSA-N 1 3 321.424 2.052 20 0 DEADHO O=C(C[C@H]1[NH2+]Cc2ccccc21)NC[C@H]1Cc2ccccc2CN1 ZINC000877339980 690079884 /nfs/dbraw/zinc/07/98/84/690079884.db2.gz IKJYHDLAXBPPRN-IEBWSBKVSA-N 1 3 321.424 2.052 20 0 DEADHO C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H]2Cc3ccccc3CN2)cc1 ZINC000877341608 690081607 /nfs/dbraw/zinc/08/16/07/690081607.db2.gz UZSBELVSQBMOBP-FZKQIMNGSA-N 1 3 309.413 2.151 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000877452893 690117394 /nfs/dbraw/zinc/11/73/94/690117394.db2.gz SVHRMWAZRJWTQL-RDJZCZTQSA-N 1 3 309.498 2.474 20 0 DEADHO COc1cnc(F)c(CNCC2(SC)CC[NH+](C)CC2)c1 ZINC000877539759 690145770 /nfs/dbraw/zinc/14/57/70/690145770.db2.gz SBMKEHCCIIXLBZ-UHFFFAOYSA-N 1 3 313.442 2.146 20 0 DEADHO CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@H](C1CC1)N(C)C)CC2 ZINC001035721164 690160824 /nfs/dbraw/zinc/16/08/24/690160824.db2.gz RLPMWQKQSGBCKP-WBVHZDCISA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@H](C(=O)N1CCC2(C[NH+](CCC(C)C)C2)CC1)N(C)C ZINC001035732356 690163078 /nfs/dbraw/zinc/16/30/78/690163078.db2.gz ZYFNGHWVDMTXLX-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CCOc1cccc(CN(CCOC)CC2CC[NH+](C)CC2)n1 ZINC000877665442 690183450 /nfs/dbraw/zinc/18/34/50/690183450.db2.gz VQVPQWLTYZUSNT-UHFFFAOYSA-N 1 3 321.465 2.271 20 0 DEADHO CN1CC[NH+](C2CCN(Cc3ccc4ncccc4c3)CC2)CC1 ZINC000877748141 690215040 /nfs/dbraw/zinc/21/50/40/690215040.db2.gz SXBOYFZIKMMXKT-UHFFFAOYSA-N 1 3 324.472 2.447 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CC1CCCC1 ZINC001036052569 690247497 /nfs/dbraw/zinc/24/74/97/690247497.db2.gz AZMJDQOEMBDPOD-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001036229202 690296239 /nfs/dbraw/zinc/29/62/39/690296239.db2.gz HLCUCQDDSONVSL-SJORKVTESA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@H]1[NH2+]CCF ZINC001036305514 690316215 /nfs/dbraw/zinc/31/62/15/690316215.db2.gz UHBQEPLIRBPMFL-RHSMWYFYSA-N 1 3 321.440 2.158 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)CCc2ccc(C(N)=O)cc2)C[C@@H]1C ZINC000878163536 690331310 /nfs/dbraw/zinc/33/13/10/690331310.db2.gz SSMSJDOCWVPGCT-YOEHRIQHSA-N 1 3 303.450 2.133 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)CCc2ccc(C(N)=O)cc2)C[C@@H]1C ZINC000878163536 690331313 /nfs/dbraw/zinc/33/13/13/690331313.db2.gz SSMSJDOCWVPGCT-YOEHRIQHSA-N 1 3 303.450 2.133 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C[C@H]3CCC4(CCOCC4)CO3)CC[C@H]21 ZINC000878197595 690343525 /nfs/dbraw/zinc/34/35/25/690343525.db2.gz PHWQSNKAYBKENY-KZNAEPCWSA-N 1 3 322.493 2.378 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C[C@H]3CCC4(CCOCC4)CO3)CC[C@H]21 ZINC000878197595 690343529 /nfs/dbraw/zinc/34/35/29/690343529.db2.gz PHWQSNKAYBKENY-KZNAEPCWSA-N 1 3 322.493 2.378 20 0 DEADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@@H]1CCC3(CCOCC3)CO1)C2 ZINC000878662116 690470191 /nfs/dbraw/zinc/47/01/91/690470191.db2.gz MLDXUNIJYLLTCQ-PKOBYXMFSA-N 1 3 322.493 2.380 20 0 DEADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@@H]1CCC3(CCOCC3)CO1)C2 ZINC000878662116 690470193 /nfs/dbraw/zinc/47/01/93/690470193.db2.gz MLDXUNIJYLLTCQ-PKOBYXMFSA-N 1 3 322.493 2.380 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccccc2)C1 ZINC001036830591 690491411 /nfs/dbraw/zinc/49/14/11/690491411.db2.gz XZEGGYPYXYXYEA-AEFFLSMTSA-N 1 3 324.428 2.075 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2[C@H](CC[N@H+]2Cc2ccccc2)C1 ZINC001036830591 690491414 /nfs/dbraw/zinc/49/14/14/690491414.db2.gz XZEGGYPYXYXYEA-AEFFLSMTSA-N 1 3 324.428 2.075 20 0 DEADHO CCCC[N@@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@H]21 ZINC001036855014 690499915 /nfs/dbraw/zinc/49/99/15/690499915.db2.gz ULFFENYQUVZDEJ-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@H]21 ZINC001036855014 690499918 /nfs/dbraw/zinc/49/99/18/690499918.db2.gz ULFFENYQUVZDEJ-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO Cc1csc(=O)n1CCN1CCC2(CC1)CC[NH+](C)CC2 ZINC000879247635 690602651 /nfs/dbraw/zinc/60/26/51/690602651.db2.gz WAGGXQNGCYJMQB-UHFFFAOYSA-N 1 3 309.479 2.026 20 0 DEADHO CC[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CCC1CC1 ZINC001037859674 690625798 /nfs/dbraw/zinc/62/57/98/690625798.db2.gz KUWKMCDPECXUET-SJLPKXTDSA-N 1 3 321.509 2.488 20 0 DEADHO CCOC(=O)CCCCN1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880263448 690854429 /nfs/dbraw/zinc/85/44/29/690854429.db2.gz XUBCOURIIOGUPV-OAHLLOKOSA-N 1 3 305.422 2.326 20 0 DEADHO Cc1nc(C(C)C)ccc1CN1CCC(O)(C[NH+](C)C)CC1 ZINC000931481257 694408999 /nfs/dbraw/zinc/40/89/99/694408999.db2.gz OGWPSNFSMXKNIG-UHFFFAOYSA-N 1 3 305.466 2.402 20 0 DEADHO CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001039134249 691029658 /nfs/dbraw/zinc/02/96/58/691029658.db2.gz OAYZJLRLMLWOIX-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1CC[C@@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001039134249 691029661 /nfs/dbraw/zinc/02/96/61/691029661.db2.gz OAYZJLRLMLWOIX-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](C(=O)N1CCC([C@@H]2CC[N@H+](CC3CC3)C2)CC1)N(C)C ZINC001039159318 691034973 /nfs/dbraw/zinc/03/49/73/691034973.db2.gz KBANQHGFHPMCEQ-MSOLQXFVSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@@H](C(=O)N1CCC([C@@H]2CC[N@@H+](CC3CC3)C2)CC1)N(C)C ZINC001039159318 691034975 /nfs/dbraw/zinc/03/49/75/691034975.db2.gz KBANQHGFHPMCEQ-MSOLQXFVSA-N 1 3 321.509 2.297 20 0 DEADHO CN(CC(=O)N1CCC(C)([NH+]2CCCCC2)CC1)C1CCC1 ZINC000881453473 691100891 /nfs/dbraw/zinc/10/08/91/691100891.db2.gz AWCRCRZJZNMWRR-UHFFFAOYSA-N 1 3 307.482 2.338 20 0 DEADHO CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[C@H](C)C1 ZINC001039437646 691105912 /nfs/dbraw/zinc/10/59/12/691105912.db2.gz SCSOSHRJEMHIFA-BBWFWOEESA-N 1 3 307.482 2.194 20 0 DEADHO CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[C@H](C)C1 ZINC001039437646 691105914 /nfs/dbraw/zinc/10/59/14/691105914.db2.gz SCSOSHRJEMHIFA-BBWFWOEESA-N 1 3 307.482 2.194 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3C=CCC3)CC2)CC1 ZINC000881497458 691109379 /nfs/dbraw/zinc/10/93/79/691109379.db2.gz BIAXBILXOYIYAU-MRXNPFEDSA-N 1 3 319.493 2.265 20 0 DEADHO CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040240268 691218480 /nfs/dbraw/zinc/21/84/80/691218480.db2.gz DFLAZUPHRREDON-KRWDZBQOSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[N@H+]1CCC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040240268 691218482 /nfs/dbraw/zinc/21/84/82/691218482.db2.gz DFLAZUPHRREDON-KRWDZBQOSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001040241530 691219349 /nfs/dbraw/zinc/21/93/49/691219349.db2.gz OVOAEUNYXQDPEV-FUHWJXTLSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001040241530 691219352 /nfs/dbraw/zinc/21/93/52/691219352.db2.gz OVOAEUNYXQDPEV-FUHWJXTLSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040241358 691219662 /nfs/dbraw/zinc/21/96/62/691219662.db2.gz NOZWIXJJAYWKNW-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040241358 691219665 /nfs/dbraw/zinc/21/96/65/691219665.db2.gz NOZWIXJJAYWKNW-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001040249837 691220464 /nfs/dbraw/zinc/22/04/64/691220464.db2.gz CCYANOAZWIIBKV-WMZOPIPTSA-N 1 3 309.498 2.297 20 0 DEADHO CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001040249837 691220467 /nfs/dbraw/zinc/22/04/67/691220467.db2.gz CCYANOAZWIIBKV-WMZOPIPTSA-N 1 3 309.498 2.297 20 0 DEADHO CCCC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@H]21 ZINC001042311826 691565843 /nfs/dbraw/zinc/56/58/43/691565843.db2.gz ANRHATOJVMZZAF-GJZGRUSLSA-N 1 3 318.465 2.410 20 0 DEADHO CCCC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@H]21 ZINC001042311826 691565845 /nfs/dbraw/zinc/56/58/45/691565845.db2.gz ANRHATOJVMZZAF-GJZGRUSLSA-N 1 3 318.465 2.410 20 0 DEADHO C[NH+](C)CCCOc1ccc(NC(=O)[C@@H](N)CC2CC2)cc1 ZINC000884217640 691684750 /nfs/dbraw/zinc/68/47/50/691684750.db2.gz SNWCTEDWVDUWFO-INIZCTEOSA-N 1 3 305.422 2.083 20 0 DEADHO CN(C)C[C@H](NC(=O)[C@H]1C[NH2+]CC1(C)C)c1ccc(Cl)cc1 ZINC000884312269 691706869 /nfs/dbraw/zinc/70/68/69/691706869.db2.gz ABUGIBWVJXDFRL-CABCVRRESA-N 1 3 323.868 2.305 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CCC3CC3)C[C@@H]2C)CC1 ZINC001044793366 691888144 /nfs/dbraw/zinc/88/81/44/691888144.db2.gz OXKOGYOKTZMELU-WMZOPIPTSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1)C1CC1 ZINC001045067127 691934723 /nfs/dbraw/zinc/93/47/23/691934723.db2.gz GRGZBDMYJLEZNI-ROUUACIJSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2C[NH2+]Cc2ccccc2)C1 ZINC001045199811 691951561 /nfs/dbraw/zinc/95/15/61/691951561.db2.gz JAXVGVPBBDKUGG-WMZOPIPTSA-N 1 3 315.461 2.109 20 0 DEADHO CC(C)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001045438403 691981262 /nfs/dbraw/zinc/98/12/62/691981262.db2.gz SHTYLBLRZGDMMZ-INIZCTEOSA-N 1 3 309.498 2.486 20 0 DEADHO C[N@H+](C[C@H]1CCN(Cc2ccccc2)C1)C[C@](C)(O)C(F)F ZINC000886028847 691987215 /nfs/dbraw/zinc/98/72/15/691987215.db2.gz YTXSONKMEIQWET-WBVHZDCISA-N 1 3 312.404 2.456 20 0 DEADHO C[N@@H+](C[C@H]1CCN(Cc2ccccc2)C1)C[C@](C)(O)C(F)F ZINC000886028847 691987218 /nfs/dbraw/zinc/98/72/18/691987218.db2.gz YTXSONKMEIQWET-WBVHZDCISA-N 1 3 312.404 2.456 20 0 DEADHO Cc1n[nH]c(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1C ZINC000886160316 692015097 /nfs/dbraw/zinc/01/50/97/692015097.db2.gz PXOJKRPVMGPEPJ-UHFFFAOYSA-N 1 3 313.449 2.423 20 0 DEADHO C([NH2+][C@@H]1CCOC2(CCOCC2)C1)[C@H]1CCCN(CC2CC2)C1 ZINC000886167027 692017226 /nfs/dbraw/zinc/01/72/26/692017226.db2.gz YJHRYIONLFOTST-QZTJIDSGSA-N 1 3 322.493 2.426 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)N(C)C ZINC001045841669 692035278 /nfs/dbraw/zinc/03/52/78/692035278.db2.gz HSNHNZLSIMKBPS-IXDOHACOSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)N(C)C ZINC001045841669 692035282 /nfs/dbraw/zinc/03/52/82/692035282.db2.gz HSNHNZLSIMKBPS-IXDOHACOSA-N 1 3 307.482 2.048 20 0 DEADHO C[C@@H]([NH2+]CC1CCC1)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047869755 692503844 /nfs/dbraw/zinc/50/38/44/692503844.db2.gz RSMVJDVAZAGZMP-ZBFHGGJFSA-N 1 3 307.482 2.097 20 0 DEADHO CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001048069700 692542926 /nfs/dbraw/zinc/54/29/26/692542926.db2.gz TVNNPDXTYAUPFC-GJZGRUSLSA-N 1 3 303.450 2.208 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC ZINC001048531586 692641153 /nfs/dbraw/zinc/64/11/53/692641153.db2.gz TYPLXHYNTHWXOC-YVSFHVDLSA-N 1 3 307.482 2.240 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC ZINC001048531586 692641157 /nfs/dbraw/zinc/64/11/57/692641157.db2.gz TYPLXHYNTHWXOC-YVSFHVDLSA-N 1 3 307.482 2.240 20 0 DEADHO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CN3CCCCC3)o2)C1 ZINC000932072746 694542511 /nfs/dbraw/zinc/54/25/11/694542511.db2.gz ZDMFJEWEZVINKD-CQSZACIVSA-N 1 3 305.422 2.090 20 0 DEADHO C[N@H+]1CCC[C@@H](NC(=O)c2ccc(CN3CCCCC3)o2)C1 ZINC000932072746 694542514 /nfs/dbraw/zinc/54/25/14/694542514.db2.gz ZDMFJEWEZVINKD-CQSZACIVSA-N 1 3 305.422 2.090 20 0 DEADHO CC[C@@H](C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001049037814 692749459 /nfs/dbraw/zinc/74/94/59/692749459.db2.gz AAYKXFFNMQIJPJ-WCXIOVBPSA-N 1 3 309.498 2.009 20 0 DEADHO CC[C@@H](C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001049037814 692749462 /nfs/dbraw/zinc/74/94/62/692749462.db2.gz AAYKXFFNMQIJPJ-WCXIOVBPSA-N 1 3 309.498 2.009 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCC(C)(C)C)C[C@@H]3C2)C1 ZINC001049059040 692754340 /nfs/dbraw/zinc/75/43/40/692754340.db2.gz LLXLOFORPUJPKT-ZACQAIPSSA-N 1 3 321.509 2.155 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCC(C)(C)C)C[C@@H]3C2)C1 ZINC001049059040 692754341 /nfs/dbraw/zinc/75/43/41/692754341.db2.gz LLXLOFORPUJPKT-ZACQAIPSSA-N 1 3 321.509 2.155 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC3=CCCCC3)C[C@@H]2C1)N(C)C ZINC001049064251 692754983 /nfs/dbraw/zinc/75/49/83/692754983.db2.gz AOMQNFLKJWLCMZ-KSZLIROESA-N 1 3 319.493 2.217 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC3=CCCCC3)C[C@@H]2C1)N(C)C ZINC001049064251 692754985 /nfs/dbraw/zinc/75/49/85/692754985.db2.gz AOMQNFLKJWLCMZ-KSZLIROESA-N 1 3 319.493 2.217 20 0 DEADHO CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCN1C(C)C ZINC001049463790 692890706 /nfs/dbraw/zinc/89/07/06/692890706.db2.gz JIZKUIMIGZBLMF-GVDBMIGSSA-N 1 3 307.482 2.335 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCN1C(C)C ZINC001049463790 692890703 /nfs/dbraw/zinc/89/07/03/692890703.db2.gz JIZKUIMIGZBLMF-GVDBMIGSSA-N 1 3 307.482 2.335 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC1CC1)N(C)C ZINC001049531429 692913570 /nfs/dbraw/zinc/91/35/70/692913570.db2.gz BISMPXCSRDLFMY-SQNIBIBYSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC1CC1)N(C)C ZINC001049531429 692913574 /nfs/dbraw/zinc/91/35/74/692913574.db2.gz BISMPXCSRDLFMY-SQNIBIBYSA-N 1 3 321.509 2.438 20 0 DEADHO CCN1CCN(CCC[NH2+]CCc2ccc(F)c(F)c2)CC1 ZINC000893327805 692967024 /nfs/dbraw/zinc/96/70/24/692967024.db2.gz PLAJPMNMQFQVNP-UHFFFAOYSA-N 1 3 311.420 2.125 20 0 DEADHO COC(=O)Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000895559074 692997124 /nfs/dbraw/zinc/99/71/24/692997124.db2.gz OCTXGMVOAXWUPI-ALOPSCKCSA-N 1 3 302.418 2.117 20 0 DEADHO CC(C)=CC[NH+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)CC1 ZINC001050554116 693205810 /nfs/dbraw/zinc/20/58/10/693205810.db2.gz PQQLBQRICKGFIU-KRWDZBQOSA-N 1 3 321.509 2.463 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC2(C1)CC[NH+](CC1CCC1)CC2)N(C)C ZINC001050554350 693205940 /nfs/dbraw/zinc/20/59/40/693205940.db2.gz URFCFCMOXCLVAN-KRWDZBQOSA-N 1 3 321.509 2.297 20 0 DEADHO CCC[NH+]1CCC2(CN(C(=O)CN3[C@H](C)CC[C@H]3C)C2)CC1 ZINC001050765882 693246739 /nfs/dbraw/zinc/24/67/39/693246739.db2.gz FYXSJNQSHMVECU-HZPDHXFCSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCN3CCCC[C@H]23)C[C@H](C)O1 ZINC000925439496 693272897 /nfs/dbraw/zinc/27/28/97/693272897.db2.gz KYNIVCVNIXNVMT-FCGDIQPGSA-N 1 3 323.525 2.482 20 0 DEADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000925501431 693283871 /nfs/dbraw/zinc/28/38/71/693283871.db2.gz CMKBRQHBDGKVDF-JLSDUUJJSA-N 1 3 316.445 2.367 20 0 DEADHO CC1(C)[C@@H](NCCc2ccc3c(c2)OCCO3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925501431 693283877 /nfs/dbraw/zinc/28/38/77/693283877.db2.gz CMKBRQHBDGKVDF-JLSDUUJJSA-N 1 3 316.445 2.367 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@H]1NCCCC(=O)N1CCc2ccccc21 ZINC000925599218 693306974 /nfs/dbraw/zinc/30/69/74/693306974.db2.gz XSEQMUMLMKJBCU-GOEBONIOSA-N 1 3 301.434 2.086 20 0 DEADHO C[C@H](c1ccncc1)N1CCC(N[C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925607406 693307917 /nfs/dbraw/zinc/30/79/17/693307917.db2.gz PIEIPLRKWFPJOL-PBHICJAKSA-N 1 3 302.466 2.337 20 0 DEADHO C[C@H](c1ccncc1)N1CCC(N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925608507 693308252 /nfs/dbraw/zinc/30/82/52/693308252.db2.gz ZCINJSXFMQKGQM-CRAIPNDOSA-N 1 3 314.477 2.481 20 0 DEADHO Cc1nn(C)c(C)c1CCC[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925628279 693311817 /nfs/dbraw/zinc/31/18/17/693311817.db2.gz CPHOVRYRKZNCFC-ULQDDVLXSA-N 1 3 304.482 2.336 20 0 DEADHO Cc1nn(C)c(C)c1CCCN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925628279 693311823 /nfs/dbraw/zinc/31/18/23/693311823.db2.gz CPHOVRYRKZNCFC-ULQDDVLXSA-N 1 3 304.482 2.336 20 0 DEADHO CC(=O)N1CCC[C@H](C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925663763 693320632 /nfs/dbraw/zinc/32/06/32/693320632.db2.gz VVHZOEXDURADFA-NJAFHUGGSA-N 1 3 307.482 2.003 20 0 DEADHO CS(=O)(=O)C1(CN[C@@H](CCC[NH3+])c2ccccc2)CCC1 ZINC000925662928 693320896 /nfs/dbraw/zinc/32/08/96/693320896.db2.gz MHXLPVCNTVWTIZ-HNNXBMFYSA-N 1 3 310.463 2.024 20 0 DEADHO C[C@H]1[NH2+]CCC[C@H]1NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000925673589 693322346 /nfs/dbraw/zinc/32/23/46/693322346.db2.gz ZFQOUWJZVAZUMH-BXUZGUMPSA-N 1 3 324.856 2.003 20 0 DEADHO CCC[C@H](C)C(=O)NCCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925678726 693323891 /nfs/dbraw/zinc/32/38/91/693323891.db2.gz WYOFKZSFYSHMTB-USXIJHARSA-N 1 3 309.498 2.297 20 0 DEADHO Cc1cc(C(F)(F)F)nn1CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000925805297 693344682 /nfs/dbraw/zinc/34/46/82/693344682.db2.gz SAMGGMCNPBNTRL-RYUDHWBXSA-N 1 3 304.360 2.460 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CC2)CC1 ZINC001052428388 693531791 /nfs/dbraw/zinc/53/17/91/693531791.db2.gz HOLRSQCGUQBRDL-SJORKVTESA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CC2)CC1 ZINC001052428388 693531793 /nfs/dbraw/zinc/53/17/93/693531793.db2.gz HOLRSQCGUQBRDL-SJORKVTESA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@H](F)CN1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052680409 693595252 /nfs/dbraw/zinc/59/52/52/693595252.db2.gz KEKOEYFSRUPARN-JKSUJKDBSA-N 1 3 313.461 2.047 20 0 DEADHO CC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052701353 693599245 /nfs/dbraw/zinc/59/92/45/693599245.db2.gz DNDGULBPPGWQDA-RHSMWYFYSA-N 1 3 313.461 2.190 20 0 DEADHO CC[N@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052701353 693599247 /nfs/dbraw/zinc/59/92/47/693599247.db2.gz DNDGULBPPGWQDA-RHSMWYFYSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001052703118 693599470 /nfs/dbraw/zinc/59/94/70/693599470.db2.gz QKBPKCAAKCZXOI-DLBZAZTESA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001052703118 693599474 /nfs/dbraw/zinc/59/94/74/693599474.db2.gz QKBPKCAAKCZXOI-DLBZAZTESA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001052716484 693602259 /nfs/dbraw/zinc/60/22/59/693602259.db2.gz NIQJUMGHKWITPD-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001052716484 693602261 /nfs/dbraw/zinc/60/22/61/693602261.db2.gz NIQJUMGHKWITPD-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[N@@H+](CC2CC(C)C2)CC1 ZINC001052899104 693644163 /nfs/dbraw/zinc/64/41/63/693644163.db2.gz MFMKYBSUMZXPIO-AVVWSFFYSA-N 1 3 318.465 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[N@H+](CC2CC(C)C2)CC1 ZINC001052899104 693644165 /nfs/dbraw/zinc/64/41/65/693644165.db2.gz MFMKYBSUMZXPIO-AVVWSFFYSA-N 1 3 318.465 2.277 20 0 DEADHO CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099217 693688671 /nfs/dbraw/zinc/68/86/71/693688671.db2.gz SQUHNBSWCMTXAW-GDBMZVCRSA-N 1 3 304.438 2.065 20 0 DEADHO CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099217 693688673 /nfs/dbraw/zinc/68/86/73/693688673.db2.gz SQUHNBSWCMTXAW-GDBMZVCRSA-N 1 3 304.438 2.065 20 0 DEADHO Cc1ccccc1C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001402639998 1162422396 /nfs/dbraw/zinc/42/23/96/1162422396.db2.gz SFIYGNJNPPBOGG-GOSISDBHSA-N 1 3 317.477 2.370 20 0 DEADHO Cc1ccccc1C[N@H+](C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001402639998 1162422400 /nfs/dbraw/zinc/42/24/00/1162422400.db2.gz SFIYGNJNPPBOGG-GOSISDBHSA-N 1 3 317.477 2.370 20 0 DEADHO CC[C@H](C)C[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001402752542 1162460031 /nfs/dbraw/zinc/46/00/31/1162460031.db2.gz MUFXSNIBHLEBIC-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)c1cc2c(s1)CNCC2 ZINC001357799590 1152340197 /nfs/dbraw/zinc/34/01/97/1152340197.db2.gz IBQSGAAGUTUNGZ-UHFFFAOYSA-N 1 3 309.479 2.102 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)c1cc2c(s1)CNCC2 ZINC001357799590 1152340199 /nfs/dbraw/zinc/34/01/99/1152340199.db2.gz IBQSGAAGUTUNGZ-UHFFFAOYSA-N 1 3 309.479 2.102 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CC1CCC1 ZINC001379758648 1152690097 /nfs/dbraw/zinc/69/00/97/1152690097.db2.gz SXRAJTALGFWRLJ-RDJZCZTQSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC1CCC1 ZINC001379758648 1152690102 /nfs/dbraw/zinc/69/01/02/1152690102.db2.gz SXRAJTALGFWRLJ-RDJZCZTQSA-N 1 3 309.498 2.486 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2cc(C)ccc2C)CC1 ZINC001380159570 1152759468 /nfs/dbraw/zinc/75/94/68/1152759468.db2.gz KWXNUXBVSBEWBM-UHFFFAOYSA-N 1 3 317.477 2.384 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CC1)N(C)C ZINC001380160817 1152759906 /nfs/dbraw/zinc/75/99/06/1152759906.db2.gz QBMLGGOYLICUGC-ZBFHGGJFSA-N 1 3 303.450 2.326 20 0 DEADHO CC(C)CC[N@H+]1CC[C@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001380208588 1152768625 /nfs/dbraw/zinc/76/86/25/1152768625.db2.gz MJSZIQRHSDMLEG-SFHVURJKSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001380208588 1152768623 /nfs/dbraw/zinc/76/86/23/1152768623.db2.gz MJSZIQRHSDMLEG-SFHVURJKSA-N 1 3 309.498 2.297 20 0 DEADHO CN(C)CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CCCC1 ZINC001361927923 1152778031 /nfs/dbraw/zinc/77/80/31/1152778031.db2.gz JUHSRQGKFBJEEF-DOTOQJQBSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)C2CCC2)C1 ZINC001380397153 1152806113 /nfs/dbraw/zinc/80/61/13/1152806113.db2.gz IWDZKWORVSWGLW-RHSMWYFYSA-N 1 3 313.461 2.047 20 0 DEADHO CC[N@@H+]1CCC[C@](C)(CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001380472007 1152818178 /nfs/dbraw/zinc/81/81/78/1152818178.db2.gz ONUKSKDFAVDLHL-GOSISDBHSA-N 1 3 309.498 2.489 20 0 DEADHO CC[N@H+]1CCC[C@](C)(CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001380472007 1152818181 /nfs/dbraw/zinc/81/81/81/1152818181.db2.gz ONUKSKDFAVDLHL-GOSISDBHSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2C1 ZINC001380705848 1152847422 /nfs/dbraw/zinc/84/74/22/1152847422.db2.gz SSVDJMRNOKSMHG-HDICACEKSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@H+](CC3CCCCC3)C[C@@H]2C1 ZINC001380705848 1152847424 /nfs/dbraw/zinc/84/74/24/1152847424.db2.gz SSVDJMRNOKSMHG-HDICACEKSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@@H](CCNC(=O)c1cccc(CN(C)C)c1)[NH2+]CC1CC1 ZINC001381232906 1152962621 /nfs/dbraw/zinc/96/26/21/1152962621.db2.gz AAECPOPBYLFUCQ-AWEZNQCLSA-N 1 3 303.450 2.256 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC001362652319 1153028000 /nfs/dbraw/zinc/02/80/00/1153028000.db2.gz KUJXSIWAQXUORL-UHFFFAOYSA-N 1 3 306.454 2.422 20 0 DEADHO C[C@H](CNC(=O)CC[NH+](C)C)N(C)[C@@H]1CCc2c1cccc2F ZINC001381572928 1153134632 /nfs/dbraw/zinc/13/46/32/1153134632.db2.gz ZZQPBYLJHQDHIQ-CXAGYDPISA-N 1 3 321.440 2.201 20 0 DEADHO Cc1cc(CN2CC([C@@H](C)NC(=O)CC[NH+](C)C)C2)c(C)s1 ZINC001381800709 1153229323 /nfs/dbraw/zinc/22/93/23/1153229323.db2.gz DWCJVSIHIPPXJK-CYBMUJFWSA-N 1 3 323.506 2.253 20 0 DEADHO CCC(CC)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001381927839 1153277052 /nfs/dbraw/zinc/27/70/52/1153277052.db2.gz KPBZWRUBTWTVPY-ZJPYXAASSA-N 1 3 323.525 2.303 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001381927839 1153277057 /nfs/dbraw/zinc/27/70/57/1153277057.db2.gz KPBZWRUBTWTVPY-ZJPYXAASSA-N 1 3 323.525 2.303 20 0 DEADHO O=C(N[C@@]12CCN(C1)CCC2)c1ccc(C[NH+]2CCCC2)cc1 ZINC001363283410 1153313309 /nfs/dbraw/zinc/31/33/09/1153313309.db2.gz IGAQNMVLWGONQF-IBGZPJMESA-N 1 3 313.445 2.251 20 0 DEADHO Cc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)CN2CC[C@H](C)C2)c1 ZINC001382129708 1153369838 /nfs/dbraw/zinc/36/98/38/1153369838.db2.gz VURTVGNYPVJENU-IRXDYDNUSA-N 1 3 317.477 2.273 20 0 DEADHO CC(C)CC[NH2+][C@H]1CN(C(=O)CN2CC[C@H](C)C2)CC1(C)C ZINC001382368867 1153438022 /nfs/dbraw/zinc/43/80/22/1153438022.db2.gz MKVKUQZAORHKBB-HOTGVXAUSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)CC1 ZINC001363580762 1153470718 /nfs/dbraw/zinc/47/07/18/1153470718.db2.gz MZARTMVTKQQSCY-DLBZAZTESA-N 1 3 307.482 2.050 20 0 DEADHO COC(=O)N1CCC([NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)CC1 ZINC001363586332 1153473416 /nfs/dbraw/zinc/47/34/16/1153473416.db2.gz YRWCAKATJDWOBF-HUUCEWRRSA-N 1 3 323.481 2.460 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CCc1ccccc1 ZINC001403032596 1162643089 /nfs/dbraw/zinc/64/30/89/1162643089.db2.gz JAZZFJRMWHCKSI-HZPDHXFCSA-N 1 3 305.466 2.052 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001388762252 1155083289 /nfs/dbraw/zinc/08/32/89/1155083289.db2.gz ZVWJVVKISCNULN-DLBZAZTESA-N 1 3 309.498 2.393 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CCC[N@H+](CCC2CC2)C1)N(CC)CC ZINC001389395337 1155329188 /nfs/dbraw/zinc/32/91/88/1155329188.db2.gz UWXHADZRVZUBBC-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CCC[N@@H+](CCC2CC2)C1)N(CC)CC ZINC001389395337 1155329189 /nfs/dbraw/zinc/32/91/89/1155329189.db2.gz UWXHADZRVZUBBC-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC12CC[NH+](CC1CCCC1)CC2)N(C)C ZINC001389518686 1155359830 /nfs/dbraw/zinc/35/98/30/1155359830.db2.gz BZRMWFVNZVGJKL-SJORKVTESA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1)N(C)C ZINC001389901736 1155466913 /nfs/dbraw/zinc/46/69/13/1155466913.db2.gz SVXGDMPCLJGZEE-YYQUZTFQSA-N 1 3 321.440 2.464 20 0 DEADHO Cc1cc(C)cc(C[NH2+][C@@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001390391181 1155695384 /nfs/dbraw/zinc/69/53/84/1155695384.db2.gz ACVUADIHMZOANL-INIZCTEOSA-N 1 3 317.477 2.382 20 0 DEADHO Cc1cccc(C)c1C[NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001390396521 1155699368 /nfs/dbraw/zinc/69/93/68/1155699368.db2.gz HFQDPQYHJSOMTE-INIZCTEOSA-N 1 3 317.477 2.382 20 0 DEADHO Cc1cccc(C)c1C[NH2+][C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001390396522 1155699746 /nfs/dbraw/zinc/69/97/46/1155699746.db2.gz HFQDPQYHJSOMTE-MRXNPFEDSA-N 1 3 317.477 2.382 20 0 DEADHO C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)NCc1cncs1 ZINC001371382193 1155839675 /nfs/dbraw/zinc/83/96/75/1155839675.db2.gz HUGBWSYWABOKJR-KGLIPLIRSA-N 1 3 324.494 2.002 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001371542800 1155868893 /nfs/dbraw/zinc/86/88/93/1155868893.db2.gz CWXILBKXZJPVCV-YOEHRIQHSA-N 1 3 321.440 2.419 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[N@H+](C)CCCc2ccccc2)C1 ZINC001390813888 1155880298 /nfs/dbraw/zinc/88/02/98/1155880298.db2.gz CIMDZCPOUNKIDG-KRWDZBQOSA-N 1 3 317.477 2.009 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[N@@H+](C)CCCc2ccccc2)C1 ZINC001390813888 1155880301 /nfs/dbraw/zinc/88/03/01/1155880301.db2.gz CIMDZCPOUNKIDG-KRWDZBQOSA-N 1 3 317.477 2.009 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2nccs2)C1 ZINC001371656312 1155896060 /nfs/dbraw/zinc/89/60/60/1155896060.db2.gz CYXYFMYXBKDPLP-KBPBESRZSA-N 1 3 324.494 2.002 20 0 DEADHO Cc1cccc(CN(C)CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001371965274 1156088963 /nfs/dbraw/zinc/08/89/63/1156088963.db2.gz SXTHLSJOGCAQDY-SFHVURJKSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1cccc(CN(C)CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001371965274 1156088967 /nfs/dbraw/zinc/08/89/67/1156088967.db2.gz SXTHLSJOGCAQDY-SFHVURJKSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1ccc(C[N@@H+](C)CCNC(=O)CN(C)C2CCC2)cc1 ZINC001371995405 1156102896 /nfs/dbraw/zinc/10/28/96/1156102896.db2.gz FYRINPNTMFLPQD-UHFFFAOYSA-N 1 3 303.450 2.027 20 0 DEADHO Cc1ccc(C[N@H+](C)CCNC(=O)CN(C)C2CCC2)cc1 ZINC001371995405 1156102902 /nfs/dbraw/zinc/10/29/02/1156102902.db2.gz FYRINPNTMFLPQD-UHFFFAOYSA-N 1 3 303.450 2.027 20 0 DEADHO CC[N@H+](CCNC(=O)Cc1nc[nH]c1C)CC1CCCCC1 ZINC001372459409 1156436081 /nfs/dbraw/zinc/43/60/81/1156436081.db2.gz KYDKXQYYBXYRKP-UHFFFAOYSA-N 1 3 306.454 2.279 20 0 DEADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1cccc(Cl)c1 ZINC001372478325 1156452929 /nfs/dbraw/zinc/45/29/29/1156452929.db2.gz VOJCKIYQBKKGAF-OAHLLOKOSA-N 1 3 323.868 2.230 20 0 DEADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1cccc(Cl)c1 ZINC001372478325 1156452964 /nfs/dbraw/zinc/45/29/64/1156452964.db2.gz VOJCKIYQBKKGAF-OAHLLOKOSA-N 1 3 323.868 2.230 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001403153971 1162793726 /nfs/dbraw/zinc/79/37/26/1162793726.db2.gz ASTNDGRSZMSOQA-OAHLLOKOSA-N 1 3 317.477 2.499 20 0 DEADHO CCCN(C)CC(=O)N1CCC2(CC[N@H+](CC(C)C)C2)CC1 ZINC001391871522 1156820896 /nfs/dbraw/zinc/82/08/96/1156820896.db2.gz NSAXYOQTNLNMER-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CCC2(CC[N@@H+](CC(C)C)C2)CC1 ZINC001391871522 1156820899 /nfs/dbraw/zinc/82/08/99/1156820899.db2.gz NSAXYOQTNLNMER-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO C[C@H]([NH2+]C/C=C/Cl)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001372994197 1156834329 /nfs/dbraw/zinc/83/43/29/1156834329.db2.gz NMIDXSMKIIBXCB-KHKWHVMBSA-N 1 3 313.873 2.050 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[NH2+][C@H]1CCCc2ccccc21 ZINC001372995021 1156834783 /nfs/dbraw/zinc/83/47/83/1156834783.db2.gz VUKYFGIDKUBSGG-SFHVURJKSA-N 1 3 317.477 2.452 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001392075709 1156862565 /nfs/dbraw/zinc/86/25/65/1156862565.db2.gz MIIRTOONHJOZQM-JSGCOSHPSA-N 1 3 319.440 2.054 20 0 DEADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(F)c1 ZINC001392137325 1156874180 /nfs/dbraw/zinc/87/41/80/1156874180.db2.gz JAHXOPLEEGPWNB-CQSZACIVSA-N 1 3 309.429 2.102 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001403215627 1162821352 /nfs/dbraw/zinc/82/13/52/1162821352.db2.gz KAVOHHQLXJCQGY-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@H+](C)C/C=C\c1ccccc1 ZINC001403231596 1162824047 /nfs/dbraw/zinc/82/40/47/1162824047.db2.gz SNOYCKNOEQGBNE-QJWNTBNXSA-N 1 3 317.477 2.477 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@@H+](C)C/C=C\c1ccccc1 ZINC001403231596 1162824049 /nfs/dbraw/zinc/82/40/49/1162824049.db2.gz SNOYCKNOEQGBNE-QJWNTBNXSA-N 1 3 317.477 2.477 20 0 DEADHO C[C@H](CN[C@@H](C)c1ccccc1F)NC(=O)CCC[NH+](C)C ZINC001392509098 1157082933 /nfs/dbraw/zinc/08/29/33/1157082933.db2.gz ZKOTYSLZVNYZGB-KGLIPLIRSA-N 1 3 309.429 2.323 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001392523562 1157090647 /nfs/dbraw/zinc/09/06/47/1157090647.db2.gz FGKKNGKLLRNWFT-DYVFJYSZSA-N 1 3 321.440 2.249 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)C[N@H+](C)CC1CC(F)(F)C1)N(C)C ZINC001392664087 1157312570 /nfs/dbraw/zinc/31/25/70/1157312570.db2.gz UOFLWGNICLQCPD-OCCSQVGLSA-N 1 3 319.440 2.054 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CC1CC(F)(F)C1)N(C)C ZINC001392664087 1157312577 /nfs/dbraw/zinc/31/25/77/1157312577.db2.gz UOFLWGNICLQCPD-OCCSQVGLSA-N 1 3 319.440 2.054 20 0 DEADHO C[NH+](C)CC1(C(=O)NC[C@@H]2CCN2CCC2CCCCC2)CC1 ZINC001392848458 1157467167 /nfs/dbraw/zinc/46/71/67/1157467167.db2.gz PUFWUCCCBQUPSA-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001374014118 1157545294 /nfs/dbraw/zinc/54/52/94/1157545294.db2.gz NYOPOZJIUKAJEM-LSDHHAIUSA-N 1 3 315.477 2.341 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cc(C)cc(C)c1)N(C)C ZINC001374102136 1157625414 /nfs/dbraw/zinc/62/54/14/1157625414.db2.gz YIFLPGFQDQIXCA-SJLPKXTDSA-N 1 3 319.493 2.486 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cc(C)cc(C)c1)N(C)C ZINC001374102144 1157625549 /nfs/dbraw/zinc/62/55/49/1157625549.db2.gz YIFLPGFQDQIXCA-WMZOPIPTSA-N 1 3 319.493 2.486 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]C/C=C\Cl)CCCC1)N(C)C ZINC001374177665 1157693231 /nfs/dbraw/zinc/69/32/31/1157693231.db2.gz DNBDFUVVKJCCKG-PGJNLMOESA-N 1 3 301.862 2.098 20 0 DEADHO CC(C)[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001393158713 1157727624 /nfs/dbraw/zinc/72/76/24/1157727624.db2.gz JNPIATNDARDFLO-AEFFLSMTSA-N 1 3 309.498 2.486 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H](C)CC(C)C)C1 ZINC001403455930 1162888623 /nfs/dbraw/zinc/88/86/23/1162888623.db2.gz GXVNBBILVFHOAQ-BPUTZDHNSA-N 1 3 320.481 2.427 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccccc2)C1 ZINC001393403683 1157822150 /nfs/dbraw/zinc/82/21/50/1157822150.db2.gz ZLSBGSYWBFSIFV-FUHWJXTLSA-N 1 3 317.477 2.211 20 0 DEADHO CC(C)[C@H](CNC(=O)[C@H]1CCCN1C(C)C)[NH2+]CC1CCC1 ZINC001374418031 1157848424 /nfs/dbraw/zinc/84/84/24/1157848424.db2.gz AXUMITVNGDVTHF-DLBZAZTESA-N 1 3 309.498 2.390 20 0 DEADHO CC(C)[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccccc1 ZINC001374457359 1157861762 /nfs/dbraw/zinc/86/17/62/1157861762.db2.gz XLCMHRRDIVLYFX-QGZVFWFLSA-N 1 3 305.466 2.257 20 0 DEADHO CC[C@H](C(=O)N(C)CC[N@H+](C)Cc1ccc(C)cc1)N(C)C ZINC001374552685 1157897526 /nfs/dbraw/zinc/89/75/26/1157897526.db2.gz URHFPDCJAFXISW-QGZVFWFLSA-N 1 3 305.466 2.225 20 0 DEADHO CC[C@H](C(=O)N(C)CC[N@@H+](C)Cc1ccc(C)cc1)N(C)C ZINC001374552685 1157897527 /nfs/dbraw/zinc/89/75/27/1157897527.db2.gz URHFPDCJAFXISW-QGZVFWFLSA-N 1 3 305.466 2.225 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)CC[C@H]21 ZINC001374565834 1157910050 /nfs/dbraw/zinc/91/00/50/1157910050.db2.gz OGJZWMRCEIRHFF-IAGOWNOFSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)CC[C@H]21 ZINC001374565834 1157910067 /nfs/dbraw/zinc/91/00/67/1157910067.db2.gz OGJZWMRCEIRHFF-IAGOWNOFSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+]Cc2ccccc2)C1 ZINC001393910191 1158060276 /nfs/dbraw/zinc/06/02/76/1158060276.db2.gz ZRIRAEHRTZHMMB-UHFFFAOYSA-N 1 3 303.450 2.011 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001394000753 1158151941 /nfs/dbraw/zinc/15/19/41/1158151941.db2.gz MFHCUFYRXSJCKF-KGLIPLIRSA-N 1 3 309.429 2.149 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C1C[NH+](Cc2ccccc2C)C1)N(C)C ZINC001394260790 1158399987 /nfs/dbraw/zinc/39/99/87/1158399987.db2.gz HGHITNKLXZLNHQ-CRAIPNDOSA-N 1 3 317.477 2.272 20 0 DEADHO CC[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1[NH2+]CC1CCC1 ZINC001375288989 1158427575 /nfs/dbraw/zinc/42/75/75/1158427575.db2.gz QMKIZOHGKXJRTL-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](c1ccccc1)N1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001375344231 1158520059 /nfs/dbraw/zinc/52/00/59/1158520059.db2.gz YLQAYDDIPAUXGN-IAGOWNOFSA-N 1 3 303.450 2.280 20 0 DEADHO C[C@H](F)CCN1CC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001375372534 1158549434 /nfs/dbraw/zinc/54/94/34/1158549434.db2.gz FDVPNTWEVMOXMC-JKSUJKDBSA-N 1 3 313.461 2.191 20 0 DEADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CC1CC(C)(C)C1 ZINC001394499113 1158591916 /nfs/dbraw/zinc/59/19/16/1158591916.db2.gz RPWZEYHDOPMHQN-AWEZNQCLSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCc2ccccc2)[C@H]1C ZINC001394673425 1158665727 /nfs/dbraw/zinc/66/57/27/1158665727.db2.gz KSECDFIFCKJCCC-SJLPKXTDSA-N 1 3 317.477 2.148 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2)[C@H]1C ZINC001394673568 1158666625 /nfs/dbraw/zinc/66/66/25/1158666625.db2.gz LCVDFEGJUGMCMM-NVXWUHKLSA-N 1 3 303.450 2.106 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001375573031 1158817456 /nfs/dbraw/zinc/81/74/56/1158817456.db2.gz LPQSPNFKFQEIKV-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001375573031 1158817457 /nfs/dbraw/zinc/81/74/57/1158817457.db2.gz LPQSPNFKFQEIKV-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H](CN(C)C(=O)CCC[NH+]1CCCCC1)NC/C=C/Cl ZINC001403617948 1163052864 /nfs/dbraw/zinc/05/28/64/1163052864.db2.gz BZPCLMLCULQRKA-HEWZJLJBSA-N 1 3 315.889 2.442 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCc1ccccc1F ZINC001376716952 1159719411 /nfs/dbraw/zinc/71/94/11/1159719411.db2.gz KRYKNMZQZVVBOY-WMLDXEAASA-N 1 3 321.440 2.293 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCc1ccccc1F ZINC001376716952 1159719416 /nfs/dbraw/zinc/71/94/16/1159719416.db2.gz KRYKNMZQZVVBOY-WMLDXEAASA-N 1 3 321.440 2.293 20 0 DEADHO C[C@@H](CNC(=O)c1ccccc1CC[NH+](C)C)NC/C=C/Cl ZINC001376785319 1159798220 /nfs/dbraw/zinc/79/82/20/1159798220.db2.gz LXKIPLJTVRIDOD-XYYIANASSA-N 1 3 323.868 2.251 20 0 DEADHO CC(C)[C@H](C(=O)NCC1([NH2+]Cc2ccsc2)CCC1)N(C)C ZINC001376811152 1159809418 /nfs/dbraw/zinc/80/94/18/1159809418.db2.gz VXYOKNASLHENQJ-OAHLLOKOSA-N 1 3 323.506 2.463 20 0 DEADHO CC(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001397051507 1159923144 /nfs/dbraw/zinc/92/31/44/1159923144.db2.gz OZDPQRCTUYNMFM-BBWFWOEESA-N 1 3 309.498 2.390 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001397167152 1160029195 /nfs/dbraw/zinc/02/91/95/1160029195.db2.gz MSQCDDVPJQLLSM-GOEBONIOSA-N 1 3 323.506 2.463 20 0 DEADHO CC(C)N1Cc2ccc(CNC(=O)C[C@H]3CC[N@H+](C)C3)cc2C1 ZINC001377210533 1160037240 /nfs/dbraw/zinc/03/72/40/1160037240.db2.gz DMHHWGRDADQABF-MRXNPFEDSA-N 1 3 315.461 2.369 20 0 DEADHO CC(C)N1Cc2ccc(CNC(=O)C[C@H]3CC[N@@H+](C)C3)cc2C1 ZINC001377210533 1160037250 /nfs/dbraw/zinc/03/72/50/1160037250.db2.gz DMHHWGRDADQABF-MRXNPFEDSA-N 1 3 315.461 2.369 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCC2CCCC2)[C@@H](C)C1 ZINC001377275191 1160099154 /nfs/dbraw/zinc/09/91/54/1160099154.db2.gz CSKPXKHBAXAQLF-RDJZCZTQSA-N 1 3 309.498 2.345 20 0 DEADHO CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCc2ccccc2F)C1 ZINC001377283618 1160118752 /nfs/dbraw/zinc/11/87/52/1160118752.db2.gz LPFRMUCFBOYLAW-WMLDXEAASA-N 1 3 321.440 2.104 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCc2ccccc2F)C1 ZINC001377283618 1160118764 /nfs/dbraw/zinc/11/87/64/1160118764.db2.gz LPFRMUCFBOYLAW-WMLDXEAASA-N 1 3 321.440 2.104 20 0 DEADHO CC[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001397663451 1160388133 /nfs/dbraw/zinc/38/81/33/1160388133.db2.gz LPIVNDYZUGHJCK-BZUAXINKSA-N 1 3 311.514 2.495 20 0 DEADHO C[C@@H](c1ccc(F)cc1)N(C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001403731038 1163119134 /nfs/dbraw/zinc/11/91/34/1163119134.db2.gz IQBOTTNERZONIS-GJZGRUSLSA-N 1 3 321.440 2.277 20 0 DEADHO C[C@@H](c1ccc(F)cc1)N(C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001403731038 1163119140 /nfs/dbraw/zinc/11/91/40/1163119140.db2.gz IQBOTTNERZONIS-GJZGRUSLSA-N 1 3 321.440 2.277 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)CN(C)C(C)C)cc1F ZINC001377526649 1160500273 /nfs/dbraw/zinc/50/02/73/1160500273.db2.gz VILPTXOKIHPFCR-HNNXBMFYSA-N 1 3 323.456 2.459 20 0 DEADHO CC(C)CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001377602029 1160579809 /nfs/dbraw/zinc/57/98/09/1160579809.db2.gz NRZOPOHFGSHQAZ-RDJZCZTQSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]C/C=C\Cl ZINC001398195132 1160813749 /nfs/dbraw/zinc/81/37/49/1160813749.db2.gz BXYZBMMYKMMYQO-SKJVMOOOSA-N 1 3 315.889 2.438 20 0 DEADHO CC(C)CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001398202495 1160817355 /nfs/dbraw/zinc/81/73/55/1160817355.db2.gz INHRYMMRDAALRH-GOEBONIOSA-N 1 3 306.454 2.358 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001398220551 1160824341 /nfs/dbraw/zinc/82/43/41/1160824341.db2.gz DMVBBGKPNDNOLG-CVEARBPZSA-N 1 3 313.461 2.047 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001398220551 1160824342 /nfs/dbraw/zinc/82/43/42/1160824342.db2.gz DMVBBGKPNDNOLG-CVEARBPZSA-N 1 3 313.461 2.047 20 0 DEADHO Cc1ccccc1CN1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001398229237 1160827885 /nfs/dbraw/zinc/82/78/85/1160827885.db2.gz HKYGIGDRTZIZGJ-QGZVFWFLSA-N 1 3 303.450 2.027 20 0 DEADHO Cc1ccccc1CN1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001377842504 1160847458 /nfs/dbraw/zinc/84/74/58/1160847458.db2.gz GZGTVQYBNJSCON-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001398332134 1160858159 /nfs/dbraw/zinc/85/81/59/1160858159.db2.gz QFOXYODKQOTQOV-QGZVFWFLSA-N 1 3 303.450 2.027 20 0 DEADHO C[C@@H](F)CC[NH+]1CC(CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001377971564 1160887256 /nfs/dbraw/zinc/88/72/56/1160887256.db2.gz PMXGFCMGCZNEOP-CQSZACIVSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)N(C)CC(=O)NCC1C[NH+](CC2CCC3(CC3)CC2)C1 ZINC001378020080 1160927252 /nfs/dbraw/zinc/92/72/52/1160927252.db2.gz IQVTZZJISPYUFO-UHFFFAOYSA-N 1 3 321.509 2.345 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001378073525 1160991753 /nfs/dbraw/zinc/99/17/53/1160991753.db2.gz IJJKWBJKSFPBSZ-KRWDZBQOSA-N 1 3 321.440 2.188 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001378073525 1160991776 /nfs/dbraw/zinc/99/17/76/1160991776.db2.gz IJJKWBJKSFPBSZ-KRWDZBQOSA-N 1 3 321.440 2.188 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001398794190 1161104553 /nfs/dbraw/zinc/10/45/53/1161104553.db2.gz IONFZPMOKLSJFZ-ZBFHGGJFSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001398794190 1161104554 /nfs/dbraw/zinc/10/45/54/1161104554.db2.gz IONFZPMOKLSJFZ-ZBFHGGJFSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1cccc(F)c1 ZINC001399027611 1161195638 /nfs/dbraw/zinc/19/56/38/1161195638.db2.gz NSZRNAHYRFYDMY-AWEZNQCLSA-N 1 3 323.456 2.398 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001399438044 1161395817 /nfs/dbraw/zinc/39/58/17/1161395817.db2.gz WWBIDOZFSXVNSW-ZIAGYGMSSA-N 1 3 319.440 2.246 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](CC)CC[C@@H](C)F ZINC001399823718 1161578266 /nfs/dbraw/zinc/57/82/66/1161578266.db2.gz NUJVMQLJWZPHGI-CABCVRRESA-N 1 3 301.450 2.047 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](CC)CC[C@@H](C)F ZINC001399823718 1161578272 /nfs/dbraw/zinc/57/82/72/1161578272.db2.gz NUJVMQLJWZPHGI-CABCVRRESA-N 1 3 301.450 2.047 20 0 DEADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCN(Cc2ccccc2F)C1 ZINC001399932005 1161610906 /nfs/dbraw/zinc/61/09/06/1161610906.db2.gz QDNBWVSUHGFDAA-HNNXBMFYSA-N 1 3 321.440 2.106 20 0 DEADHO CC(C)[C@H](C(=O)N(C)CC[NH2+][C@@H](C)c1ccccc1)N(C)C ZINC001400046100 1161641129 /nfs/dbraw/zinc/64/11/29/1161641129.db2.gz UZSCDILDAGULKN-DOTOQJQBSA-N 1 3 305.466 2.382 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)CC[NH2+][C@H]1CCc2ccccc21)N(C)C ZINC001400068954 1161645602 /nfs/dbraw/zinc/64/56/02/1161645602.db2.gz AUNCMKCJXMSZGQ-ROUUACIJSA-N 1 3 317.477 2.308 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+]CCN(C)C(=O)CN(C)C(C)C)c1 ZINC001400097934 1161652806 /nfs/dbraw/zinc/65/28/06/1161652806.db2.gz YPYSAMGHVOGLOQ-MRXNPFEDSA-N 1 3 305.466 2.444 20 0 DEADHO CCCN(C)CC(=O)NCC1C[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC001400546219 1161767701 /nfs/dbraw/zinc/76/77/01/1161767701.db2.gz PHAKXGXOBQSKBB-MRXNPFEDSA-N 1 3 317.477 2.446 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001400677183 1161798720 /nfs/dbraw/zinc/79/87/20/1161798720.db2.gz IJJKWBJKSFPBSZ-QGZVFWFLSA-N 1 3 321.440 2.188 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001400677183 1161798723 /nfs/dbraw/zinc/79/87/23/1161798723.db2.gz IJJKWBJKSFPBSZ-QGZVFWFLSA-N 1 3 321.440 2.188 20 0 DEADHO CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1ccsc1 ZINC001400821622 1161828527 /nfs/dbraw/zinc/82/85/27/1161828527.db2.gz KMPFRGLROPAWPX-CABCVRRESA-N 1 3 311.495 2.319 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC1(C[NH2+]CC2CC2)CCCC1 ZINC001400911636 1161845102 /nfs/dbraw/zinc/84/51/02/1161845102.db2.gz REBFFWDQVVBMCZ-MRXNPFEDSA-N 1 3 307.482 2.288 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCCN1C(C)C ZINC001401085793 1161869460 /nfs/dbraw/zinc/86/94/60/1161869460.db2.gz GWIJVMCQXDPMRD-SJORKVTESA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001401225694 1161898436 /nfs/dbraw/zinc/89/84/36/1161898436.db2.gz CLTKCCPJVBWQMK-DOTOQJQBSA-N 1 3 305.466 2.272 20 0 DEADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+][C@H]1CCc2ccccc21 ZINC001401266674 1161910183 /nfs/dbraw/zinc/91/01/83/1161910183.db2.gz NBMZWVXAOLUXIU-QAPCUYQASA-N 1 3 317.477 2.451 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCCc2ccccc21)N(C)C ZINC001401645863 1162057365 /nfs/dbraw/zinc/05/73/65/1162057365.db2.gz COQQDGSGWJENID-OLMNPRSZSA-N 1 3 317.477 2.499 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cc(C)cc(C)c1)N(C)C ZINC001401691406 1162077295 /nfs/dbraw/zinc/07/72/95/1162077295.db2.gz BFEIBVCPBPDLBJ-DOTOQJQBSA-N 1 3 305.466 2.238 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(F)cc1C)N(C)C ZINC001401784900 1162129837 /nfs/dbraw/zinc/12/98/37/1162129837.db2.gz YQEWXAFBCMKNJG-YOEHRIQHSA-N 1 3 323.456 2.411 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(F)cc1C)N(C)C ZINC001401784900 1162129841 /nfs/dbraw/zinc/12/98/41/1162129841.db2.gz YQEWXAFBCMKNJG-YOEHRIQHSA-N 1 3 323.456 2.411 20 0 DEADHO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN(C)CC(C)(C)C ZINC001401998451 1162211952 /nfs/dbraw/zinc/21/19/52/1162211952.db2.gz JLNSEUIAYKGBQO-MQVJKMGUSA-N 1 3 309.498 2.486 20 0 DEADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCN(Cc3ccsc3)C2)C1 ZINC001404102551 1163442806 /nfs/dbraw/zinc/44/28/06/1163442806.db2.gz OJNODXFYONRKHP-HUUCEWRRSA-N 1 3 321.490 2.028 20 0 DEADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CCN(Cc3ccsc3)C2)C1 ZINC001404102551 1163442822 /nfs/dbraw/zinc/44/28/22/1163442822.db2.gz OJNODXFYONRKHP-HUUCEWRRSA-N 1 3 321.490 2.028 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@H](C)[NH2+]C[C@@H](F)CC)CC1 ZINC001404413180 1163622256 /nfs/dbraw/zinc/62/22/56/1163622256.db2.gz VMKTXVKWNJWOCH-HOCLYGCPSA-N 1 3 315.477 2.293 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1ccccc1 ZINC001405674199 1164181315 /nfs/dbraw/zinc/18/13/15/1164181315.db2.gz OHVUPJLGVIQMGR-OAHLLOKOSA-N 1 3 303.450 2.013 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1cccc(F)c1)N(C)C ZINC001405678405 1164182025 /nfs/dbraw/zinc/18/20/25/1164182025.db2.gz ZACIORLDUXZWRT-PBHICJAKSA-N 1 3 323.456 2.254 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CN(C)C2CCC2)cc1 ZINC001405841112 1164284083 /nfs/dbraw/zinc/28/40/83/1164284083.db2.gz ZKMPOKKZMYZZNG-INIZCTEOSA-N 1 3 317.477 2.416 20 0 DEADHO CCN(CC[NH2+][C@H]1CCc2ccccc21)C(=O)CN1CCCC1 ZINC001406332586 1164538212 /nfs/dbraw/zinc/53/82/12/1164538212.db2.gz BMJQRASGANYYLD-SFHVURJKSA-N 1 3 315.461 2.208 20 0 DEADHO C[C@H](CNCc1ccccc1F)NC(=O)C12CCC[NH+]1CCC2 ZINC001406360616 1164551993 /nfs/dbraw/zinc/55/19/93/1164551993.db2.gz CHUGISNEZKDUJS-CQSZACIVSA-N 1 3 319.424 2.048 20 0 DEADHO Cc1ccc(C)c(C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001406566662 1164680719 /nfs/dbraw/zinc/68/07/19/1164680719.db2.gz XYYIVGUPNIFMSL-WMZOPIPTSA-N 1 3 319.493 2.484 20 0 DEADHO Cc1cccc(C)c1C[NH2+]C1(CNC(=O)CN(C)C(C)C)CC1 ZINC001407009912 1164922077 /nfs/dbraw/zinc/92/20/77/1164922077.db2.gz QLDOPXXAJGJARC-UHFFFAOYSA-N 1 3 317.477 2.382 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]C/C=C\Cl)C[C@H]1C ZINC001407077205 1164957370 /nfs/dbraw/zinc/95/73/70/1164957370.db2.gz ARKVFLKOTNTOPQ-RKWPFYGESA-N 1 3 301.862 2.050 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]C/C=C/Cl)C[C@@H]1C ZINC001407077202 1164957446 /nfs/dbraw/zinc/95/74/46/1164957446.db2.gz ARKVFLKOTNTOPQ-MPCGPATOSA-N 1 3 301.862 2.050 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CC2CCCC2)C1)N(C)C ZINC001407237079 1165060700 /nfs/dbraw/zinc/06/07/00/1165060700.db2.gz MOYZSERMYJCOCO-FUHWJXTLSA-N 1 3 309.498 2.345 20 0 DEADHO CCCC[N@@H+]1CCC[C@](C)(CNC(=O)CN(C)C2CCC2)C1 ZINC001407303524 1165098512 /nfs/dbraw/zinc/09/85/12/1165098512.db2.gz MSOJSZYEZHRNMZ-GOSISDBHSA-N 1 3 309.498 2.489 20 0 DEADHO CCCC[N@H+]1CCC[C@](C)(CNC(=O)CN(C)C2CCC2)C1 ZINC001407303524 1165098519 /nfs/dbraw/zinc/09/85/19/1165098519.db2.gz MSOJSZYEZHRNMZ-GOSISDBHSA-N 1 3 309.498 2.489 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2csc(C)c2)C1 ZINC001408106740 1165479592 /nfs/dbraw/zinc/47/95/92/1165479592.db2.gz SPZIFSOJSDGKLM-XJKSGUPXSA-N 1 3 323.506 2.335 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3)C2)CCC1 ZINC001417765004 1167197579 /nfs/dbraw/zinc/19/75/79/1167197579.db2.gz RHEHQQLRXIIBKJ-CALCHBBNSA-N 1 3 315.461 2.155 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]([NH2+]CC1CCCCC1)C1CC1 ZINC001418009643 1167359977 /nfs/dbraw/zinc/35/99/77/1167359977.db2.gz FXPDOUQYJNNXAQ-QGZVFWFLSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C)N1CCCCC1 ZINC001418161360 1167451432 /nfs/dbraw/zinc/45/14/32/1167451432.db2.gz MFVIIMHFSZWLCM-BZUAXINKSA-N 1 3 309.498 2.342 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@@H+](CC(C)C)C1 ZINC001418738286 1167929891 /nfs/dbraw/zinc/92/98/91/1167929891.db2.gz JKLGATGPHJHDRD-XSLAGTTESA-N 1 3 321.509 2.153 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@H+](CC(C)C)C1 ZINC001418738286 1167929900 /nfs/dbraw/zinc/92/99/00/1167929900.db2.gz JKLGATGPHJHDRD-XSLAGTTESA-N 1 3 321.509 2.153 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[N@H+](CC2CC2)C1)N1CCCCC1 ZINC001418955605 1168093488 /nfs/dbraw/zinc/09/34/88/1168093488.db2.gz IZYDKOQGECXAKL-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CC2)C1)N1CCCCC1 ZINC001418955605 1168093491 /nfs/dbraw/zinc/09/34/91/1168093491.db2.gz IZYDKOQGECXAKL-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](F)C[NH2+][C@@H]1CC[C@@H](NC(=O)[C@H](CC)N(C)C)CC1 ZINC001419384005 1168436236 /nfs/dbraw/zinc/43/62/36/1168436236.db2.gz HEWOYQXJBBCCQL-TUVASFSCSA-N 1 3 301.450 2.092 20 0 DEADHO CCN(CC[NH2+][C@@H]1CCc2ccccc21)C(=O)[C@@H]1CCCN1C ZINC001420243616 1169273250 /nfs/dbraw/zinc/27/32/50/1169273250.db2.gz TXDYELWOOILOAK-MSOLQXFVSA-N 1 3 315.461 2.206 20 0 DEADHO CC(C)[C@@H](C(=O)NCCN1CCC(C)(C)C1)[NH+]1CCCCC1 ZINC001420571213 1169805316 /nfs/dbraw/zinc/80/53/16/1169805316.db2.gz OPWNWJRARQRDGI-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO C[NH+](C)CC1(C(=O)NCC2(NCc3ccsc3)CCC2)CC1 ZINC001421779397 1171990571 /nfs/dbraw/zinc/99/05/71/1171990571.db2.gz XOGRTTPTEGVZCQ-UHFFFAOYSA-N 1 3 321.490 2.218 20 0 DEADHO CC(C)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001422025901 1172239980 /nfs/dbraw/zinc/23/99/80/1172239980.db2.gz FMKCYRVNLPCHTF-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC1CCCC1 ZINC001422107157 1172308397 /nfs/dbraw/zinc/30/83/97/1172308397.db2.gz HGNIEYKDIAHYFR-RDJZCZTQSA-N 1 3 309.498 2.249 20 0 DEADHO Cc1cccc(CN(C)CCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)c1 ZINC001422202547 1172389923 /nfs/dbraw/zinc/38/99/23/1172389923.db2.gz WYPYOTCGICGAOP-KRWDZBQOSA-N 1 3 317.477 2.227 20 0 DEADHO Cc1cccc(CN(C)CCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC001422202547 1172389930 /nfs/dbraw/zinc/38/99/30/1172389930.db2.gz WYPYOTCGICGAOP-KRWDZBQOSA-N 1 3 317.477 2.227 20 0 DEADHO C[C@H](F)CC[NH2+]C1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC001422423767 1172578084 /nfs/dbraw/zinc/57/80/84/1172578084.db2.gz QMXXDQRDJCTWJF-OPFPJEHXSA-N 1 3 310.417 2.060 20 0 DEADHO Cc1cnccc1CCN1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001422433935 1172588586 /nfs/dbraw/zinc/58/85/86/1172588586.db2.gz FVAGLJJXDHSAFT-UHFFFAOYSA-N 1 3 317.477 2.245 20 0 DEADHO Cc1ccc(CN(C)[C@@H](C)CNC(=O)CC[NH+](C)C)cc1F ZINC001422559001 1172709569 /nfs/dbraw/zinc/70/95/69/1172709569.db2.gz FWVKCWUNPKLYPQ-AWEZNQCLSA-N 1 3 309.429 2.022 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[N@H+](C)CC1CCCCC1 ZINC001422567389 1172716524 /nfs/dbraw/zinc/71/65/24/1172716524.db2.gz VQBBNNVLLDJRQL-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[N@@H+](C)CC1CCCCC1 ZINC001422567389 1172716531 /nfs/dbraw/zinc/71/65/31/1172716531.db2.gz VQBBNNVLLDJRQL-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1ccc(F)cc1CN(C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001422569333 1172717941 /nfs/dbraw/zinc/71/79/41/1172717941.db2.gz TWGQCFZADVYFPE-AWEZNQCLSA-N 1 3 309.429 2.022 20 0 DEADHO Cc1ccc(CNC2CC[NH+](CCC(=O)N(C)C)CC2)cc1C ZINC001422605677 1172753979 /nfs/dbraw/zinc/75/39/79/1172753979.db2.gz JPYXEILYMZMHHV-UHFFFAOYSA-N 1 3 317.477 2.336 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1cccc(OC)c1)N(C)C ZINC001422697755 1172815320 /nfs/dbraw/zinc/81/53/20/1172815320.db2.gz QKZURWQVEYWTEE-ZQIUZPCESA-N 1 3 321.465 2.191 20 0 DEADHO C[C@H](CN(C)C(=O)CN(C)CC(C)(C)C)[NH2+]CC[C@H](C)F ZINC001423133152 1173102047 /nfs/dbraw/zinc/10/20/47/1173102047.db2.gz QCVGRSSFUWJILW-UONOGXRCSA-N 1 3 303.466 2.149 20 0 DEADHO C[C@H](F)CC[NH2+]C1(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001423211512 1173167454 /nfs/dbraw/zinc/16/74/54/1173167454.db2.gz SGQLZFNPHVFICS-AWEZNQCLSA-N 1 3 313.461 2.237 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CC2CCC2)C1 ZINC001423647323 1173465386 /nfs/dbraw/zinc/46/53/86/1173465386.db2.gz GCBSRGSMQJBMMZ-IEBWSBKVSA-N 1 3 321.509 2.489 20 0 DEADHO CN(C)C1(C(=O)N(C)C2CC([NH2+]Cc3ccccc3)C2)CCC1 ZINC001423688426 1173491668 /nfs/dbraw/zinc/49/16/68/1173491668.db2.gz PSNPNGVFJAWVSJ-UHFFFAOYSA-N 1 3 315.461 2.250 20 0 DEADHO CCC1([NH2+]CCC(C)C)CCN(C(=O)CN2CCCC2)CC1 ZINC001424380034 1173775455 /nfs/dbraw/zinc/77/54/55/1173775455.db2.gz IEIANVGCGNWYRC-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC001424789967 1173932551 /nfs/dbraw/zinc/93/25/51/1173932551.db2.gz GPRXWKVFZNHFBU-ZIAGYGMSSA-N 1 3 321.440 2.293 20 0 DEADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC001424789958 1173932742 /nfs/dbraw/zinc/93/27/42/1173932742.db2.gz GPRXWKVFZNHFBU-UONOGXRCSA-N 1 3 321.440 2.293 20 0 DEADHO CC(C)[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001425366814 1174295601 /nfs/dbraw/zinc/29/56/01/1174295601.db2.gz GLFHXRVELWNESM-JYJNAYRXSA-N 1 3 307.482 2.096 20 0 DEADHO CC(C)[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001425366814 1174295612 /nfs/dbraw/zinc/29/56/12/1174295612.db2.gz GLFHXRVELWNESM-JYJNAYRXSA-N 1 3 307.482 2.096 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001425417014 1174311204 /nfs/dbraw/zinc/31/12/04/1174311204.db2.gz FAKOCIBUXKPLKF-RBSFLKMASA-N 1 3 315.477 2.197 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C1CC[NH+](CC2CCC2)CC1)N(C)C ZINC001426176362 1174630503 /nfs/dbraw/zinc/63/05/03/1174630503.db2.gz ITZHIUUZZLIWAA-PBHICJAKSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)C1CC[NH+](CC2CC2)CC1)N(C)C ZINC001426181092 1174633928 /nfs/dbraw/zinc/63/39/28/1174633928.db2.gz ZOEORQBALMCKAX-RHSMWYFYSA-N 1 3 309.498 2.199 20 0 DEADHO CCCC[NH+]1CCC([C@@H](C)NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001426186136 1174636853 /nfs/dbraw/zinc/63/68/53/1174636853.db2.gz SHZXNXHSDOGSKA-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C(F)(F)F ZINC001426210218 1174648850 /nfs/dbraw/zinc/64/88/50/1174648850.db2.gz KXBANMHRIXXEKJ-STQMWFEESA-N 1 3 323.403 2.104 20 0 DEADHO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001434440472 1178555924 /nfs/dbraw/zinc/55/59/24/1178555924.db2.gz MIPFLUPVQGSPMQ-DLBZAZTESA-N 1 3 301.434 2.057 20 0 DEADHO CC1(C)CO[C@@H](C[NH2+]C2CCC(C)(N3CCOCC3)CC2)C1 ZINC001434535809 1178800852 /nfs/dbraw/zinc/80/08/52/1178800852.db2.gz LDRAIUGWADTOPV-UPTPFMHGSA-N 1 3 310.482 2.425 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC2)C1 ZINC001436368171 1179064344 /nfs/dbraw/zinc/06/43/44/1179064344.db2.gz PHYHUHUMMXVKRV-MDBPOYHNSA-N 1 3 307.482 2.144 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1CCC([NH2+]CCC(C)C)CC1 ZINC001437091418 1179396922 /nfs/dbraw/zinc/39/69/22/1179396922.db2.gz PLHODHRPJKBAJB-UHFFFAOYSA-N 1 3 306.454 2.324 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001437239649 1179632391 /nfs/dbraw/zinc/63/23/91/1179632391.db2.gz ACUZCJFIIVEVNW-MRXNPFEDSA-N 1 3 305.466 2.240 20 0 DEADHO CC[C@H](C)C[N@H+](C)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001437328591 1179724624 /nfs/dbraw/zinc/72/46/24/1179724624.db2.gz BQEZVUQZQMNWGR-HOTGVXAUSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C)C[N@@H+](C)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001437328591 1179724628 /nfs/dbraw/zinc/72/46/28/1179724628.db2.gz BQEZVUQZQMNWGR-HOTGVXAUSA-N 1 3 309.498 2.440 20 0 DEADHO Cc1ccccc1[C@H](C)[N@H+](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001437517295 1179832803 /nfs/dbraw/zinc/83/28/03/1179832803.db2.gz OHLVFSQLWMPBES-WBVHZDCISA-N 1 3 317.477 2.446 20 0 DEADHO Cc1ccccc1[C@H](C)[N@@H+](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001437517295 1179832805 /nfs/dbraw/zinc/83/28/05/1179832805.db2.gz OHLVFSQLWMPBES-WBVHZDCISA-N 1 3 317.477 2.446 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001437955481 1180108830 /nfs/dbraw/zinc/10/88/30/1180108830.db2.gz CWONCTURIJMXJM-AQFXKWCLSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@@H+](CC2CC(C)C2)C1 ZINC001437955481 1180108841 /nfs/dbraw/zinc/10/88/41/1180108841.db2.gz CWONCTURIJMXJM-AQFXKWCLSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CCC2CC2)C1)N(C)C ZINC001437996328 1180149120 /nfs/dbraw/zinc/14/91/20/1180149120.db2.gz FHAIKLNITUEYJQ-IRXDYDNUSA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CCC2CC2)C1)N(C)C ZINC001437996328 1180149127 /nfs/dbraw/zinc/14/91/27/1180149127.db2.gz FHAIKLNITUEYJQ-IRXDYDNUSA-N 1 3 309.498 2.153 20 0 DEADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1cccc(C)c1 ZINC001438324012 1180344342 /nfs/dbraw/zinc/34/43/42/1180344342.db2.gz CGIVUIHQGAYOOI-FUHWJXTLSA-N 1 3 317.477 2.321 20 0 DEADHO CC(C)[NH2+]Cc1ccc(CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001438445641 1180436280 /nfs/dbraw/zinc/43/62/80/1180436280.db2.gz AFZDPYYFYJSENO-HNNXBMFYSA-N 1 3 303.450 2.143 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]C[C@H]1CCC(F)(F)C1)N(C)C ZINC001439144558 1180895827 /nfs/dbraw/zinc/89/58/27/1180895827.db2.gz OGCVFDLSUTUQMB-HZSPNIEDSA-N 1 3 319.440 2.102 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CN(CC)CCC1(F)F)[NH+](CC)CC ZINC001439964679 1181328914 /nfs/dbraw/zinc/32/89/14/1181328914.db2.gz BQBDCCHROHDLAZ-ZIAGYGMSSA-N 1 3 319.440 2.200 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCc2ccccc2)C1)N(C)C ZINC001440337503 1181453523 /nfs/dbraw/zinc/45/35/23/1181453523.db2.gz DQTGCHCMFQUNRS-KZNAEPCWSA-N 1 3 317.477 2.054 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C[C@@H]1C)CC[NH+](CCC)CC2 ZINC001440422140 1181502256 /nfs/dbraw/zinc/50/22/56/1181502256.db2.gz XQSDVQUAXROOAX-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@H](CNC(=O)CCC[NH+](C)C)N(C)Cc1cccc(F)c1 ZINC001440955770 1181796222 /nfs/dbraw/zinc/79/62/22/1181796222.db2.gz CNGAHAMGBWCFOE-AWEZNQCLSA-N 1 3 309.429 2.104 20 0 DEADHO NCC1(C[NH2+][C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC001580243589 1181895829 /nfs/dbraw/zinc/89/58/29/1181895829.db2.gz LGYDVLOWHIWKJT-KWCYVHTRSA-N 1 3 307.235 2.416 20 0 DEADHO [NH3+]CC1(CN[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC001580243589 1181895836 /nfs/dbraw/zinc/89/58/36/1181895836.db2.gz LGYDVLOWHIWKJT-KWCYVHTRSA-N 1 3 307.235 2.416 20 0 DEADHO CCCC[N@@H+]1C[C@H](NC(=O)[C@H](F)CN(CC)CC)C(C)(C)C1 ZINC001441248253 1181912044 /nfs/dbraw/zinc/91/20/44/1181912044.db2.gz RCRWLHBEDQDGRL-CABCVRRESA-N 1 3 315.477 2.293 20 0 DEADHO CCCC[N@H+]1C[C@H](NC(=O)[C@H](F)CN(CC)CC)C(C)(C)C1 ZINC001441248253 1181912056 /nfs/dbraw/zinc/91/20/56/1181912056.db2.gz RCRWLHBEDQDGRL-CABCVRRESA-N 1 3 315.477 2.293 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001441377349 1181963177 /nfs/dbraw/zinc/96/31/77/1181963177.db2.gz KFEZRSYFKIPKJR-JCNLHEQBSA-N 1 3 321.509 2.393 20 0 DEADHO CCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)CCC)C1 ZINC001441477008 1182013542 /nfs/dbraw/zinc/01/35/42/1182013542.db2.gz MQGCKZMDWFOQMA-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)CCC)C1 ZINC001441477008 1182013550 /nfs/dbraw/zinc/01/35/50/1182013550.db2.gz MQGCKZMDWFOQMA-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C(C)(C)C ZINC001442138354 1182341586 /nfs/dbraw/zinc/34/15/86/1182341586.db2.gz COLRCDLQFUQPFX-KBPBESRZSA-N 1 3 315.477 2.339 20 0 DEADHO CC[C@@H](F)CN1CCC([C@@H](C)NC(=O)CC[N@H+](C)CC)CC1 ZINC001442206518 1182366391 /nfs/dbraw/zinc/36/63/91/1182366391.db2.gz YAXIMHARJRJNMP-GDBMZVCRSA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@@H](F)CN1CCC([C@@H](C)NC(=O)CC[N@@H+](C)CC)CC1 ZINC001442206518 1182366394 /nfs/dbraw/zinc/36/63/94/1182366394.db2.gz YAXIMHARJRJNMP-GDBMZVCRSA-N 1 3 315.477 2.293 20 0 DEADHO Cc1ccc(F)c(CNC2CC(N(C)C(=O)CC[NH+](C)C)C2)c1 ZINC001442258065 1182393690 /nfs/dbraw/zinc/39/36/90/1182393690.db2.gz ZVYUXABMVXOSDO-UHFFFAOYSA-N 1 3 321.440 2.165 20 0 DEADHO Cc1cccc(CN(C)CCNC(=O)CC2CC[NH+](C)CC2)c1 ZINC001442534421 1182520629 /nfs/dbraw/zinc/52/06/29/1182520629.db2.gz KHJJKGAMVLLGAN-UHFFFAOYSA-N 1 3 317.477 2.275 20 0 DEADHO CCC[NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)c1ccccc1 ZINC001443136216 1182858438 /nfs/dbraw/zinc/85/84/38/1182858438.db2.gz KWKBRSTZQBFRGP-MRXNPFEDSA-N 1 3 303.450 2.328 20 0 DEADHO CC(C)C[C@@H](C)C[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001443336114 1182937634 /nfs/dbraw/zinc/93/76/34/1182937634.db2.gz PUTUIYWOMJFPOM-HZPDHXFCSA-N 1 3 320.481 2.415 20 0 DEADHO CC(C)C[C@@H](C)C[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001443336114 1182937641 /nfs/dbraw/zinc/93/76/41/1182937641.db2.gz PUTUIYWOMJFPOM-HZPDHXFCSA-N 1 3 320.481 2.415 20 0 DEADHO CC(C)C[NH2+]C[C@](C)(NC(=O)CN(C)CC(C)(C)C)C1CC1 ZINC001444151016 1183300992 /nfs/dbraw/zinc/30/09/92/1183300992.db2.gz NDYSSAQQPSGKQA-SFHVURJKSA-N 1 3 311.514 2.495 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCC1CCN(CCF)CC1 ZINC001444227896 1183320039 /nfs/dbraw/zinc/32/00/39/1183320039.db2.gz DPZPRPGIPZJWGL-INIZCTEOSA-N 1 3 313.461 2.049 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCC1CCN(CCF)CC1 ZINC001444227896 1183320048 /nfs/dbraw/zinc/32/00/48/1183320048.db2.gz DPZPRPGIPZJWGL-INIZCTEOSA-N 1 3 313.461 2.049 20 0 DEADHO Cc1ccc(C)c(C[NH2+]C[C@@H](C)CNC(=O)CN(C)C(C)C)c1 ZINC001444435009 1183388511 /nfs/dbraw/zinc/38/85/11/1183388511.db2.gz IRZRBMHWWLXMKR-MRXNPFEDSA-N 1 3 319.493 2.486 20 0 DEADHO CC[C@@H](C)C[NH2+]C1(CNC(=O)Cc2nc[nH]c2C)CCCC1 ZINC001444538686 1183440454 /nfs/dbraw/zinc/44/04/54/1183440454.db2.gz XLWNUUSJRAPVCX-CYBMUJFWSA-N 1 3 306.454 2.325 20 0 DEADHO C[C@@H](C[NH2+][C@H]1CCc2ccccc21)N(C)C(=O)Cc1c[nH]cn1 ZINC001444677222 1183513559 /nfs/dbraw/zinc/51/35/59/1183513559.db2.gz DRCFXWVYDKKHPS-GUYCJALGSA-N 1 3 312.417 2.076 20 0 DEADHO C[C@@H](c1ccccc1)N(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001444984938 1183688949 /nfs/dbraw/zinc/68/89/49/1183688949.db2.gz CCXBQNVYJJLPTA-LZLYRXPVSA-N 1 3 317.477 2.478 20 0 DEADHO C[C@@H](c1ccccc1)N(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001444984938 1183688954 /nfs/dbraw/zinc/68/89/54/1183688954.db2.gz CCXBQNVYJJLPTA-LZLYRXPVSA-N 1 3 317.477 2.478 20 0 DEADHO Cc1ccc(CN(C)CCN(C)C(=O)CCC[NH+](C)C)cc1 ZINC001445032412 1183728406 /nfs/dbraw/zinc/72/84/06/1183728406.db2.gz PCXLKIWCXQQWIN-UHFFFAOYSA-N 1 3 305.466 2.227 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001445101619 1183773190 /nfs/dbraw/zinc/77/31/90/1183773190.db2.gz CHWPTSRXEWNNNT-QZTJIDSGSA-N 1 3 317.477 2.403 20 0 DEADHO Cc1cccc(Cl)c1CNC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001445647775 1183953553 /nfs/dbraw/zinc/95/35/53/1183953553.db2.gz LXUYQKRYVOWGPV-UONOGXRCSA-N 1 3 323.868 2.194 20 0 DEADHO Cc1cccc(Cl)c1CNC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001445647775 1183953560 /nfs/dbraw/zinc/95/35/60/1183953560.db2.gz LXUYQKRYVOWGPV-UONOGXRCSA-N 1 3 323.868 2.194 20 0 DEADHO Cc1cccc(CN(C)C[C@H](C)NC(=O)CCC[NH+](C)C)c1 ZINC001445810449 1184066240 /nfs/dbraw/zinc/06/62/40/1184066240.db2.gz KSNGEUSYQMUUPH-INIZCTEOSA-N 1 3 305.466 2.273 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1CCC1)C1CC1 ZINC001445946926 1184143090 /nfs/dbraw/zinc/14/30/90/1184143090.db2.gz DMPJYUFMTPDDFR-DLBZAZTESA-N 1 3 307.482 2.145 20 0 DEADHO C[C@H]([NH2+]CCC1CC1)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001446937219 1184583414 /nfs/dbraw/zinc/58/34/14/1184583414.db2.gz GQLWNYUBQNJYLP-GOEBONIOSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]([NH2+][C@@H](C)CCNC(=O)[C@H]1CCCN1C)c1ccccc1F ZINC001447658325 1184838177 /nfs/dbraw/zinc/83/81/77/1184838177.db2.gz KRNNKUQSWCOEAC-JJRVBVJISA-N 1 3 321.440 2.465 20 0 DEADHO CCC[NH2+][C@@H](C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001447672737 1184841077 /nfs/dbraw/zinc/84/10/77/1184841077.db2.gz CFYMKALTNADIRM-BBRMVZONSA-N 1 3 301.450 2.093 20 0 DEADHO CC[N@H+](CC(C)C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001447733134 1184852062 /nfs/dbraw/zinc/85/20/62/1184852062.db2.gz GABQSOHHHIBHEN-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@@H+](CC(C)C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001447733134 1184852063 /nfs/dbraw/zinc/85/20/63/1184852063.db2.gz GABQSOHHHIBHEN-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CN(C)C1CCC1 ZINC001447750663 1184857662 /nfs/dbraw/zinc/85/76/62/1184857662.db2.gz SXNAXEKPRVXOJZ-IEBWSBKVSA-N 1 3 315.461 2.253 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccccc1 ZINC001447765275 1184864153 /nfs/dbraw/zinc/86/41/53/1184864153.db2.gz CURRZVVXZAIIAV-GOSISDBHSA-N 1 3 317.477 2.450 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccccc1 ZINC001447765275 1184864156 /nfs/dbraw/zinc/86/41/56/1184864156.db2.gz CURRZVVXZAIIAV-GOSISDBHSA-N 1 3 317.477 2.450 20 0 DEADHO CC(C)CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001448314926 1185159461 /nfs/dbraw/zinc/15/94/61/1185159461.db2.gz AGIZNNOUEHXAJB-NVXWUHKLSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)CC[N@H+](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001448544672 1185284746 /nfs/dbraw/zinc/28/47/46/1185284746.db2.gz LDPKEXOVLSOHRV-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CC[N@@H+](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001448544672 1185284756 /nfs/dbraw/zinc/28/47/56/1185284756.db2.gz LDPKEXOVLSOHRV-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]C/C=C/Cl ZINC001448557026 1185293345 /nfs/dbraw/zinc/29/33/45/1185293345.db2.gz BNNLAFUJZYBCHE-HYBGQWMJSA-N 1 3 315.889 2.201 20 0 DEADHO CN(CC(=O)N(C)[C@@H](C[NH2+]CC1CC1)C1CC1)CC(C)(C)C ZINC001448591065 1185309589 /nfs/dbraw/zinc/30/95/89/1185309589.db2.gz JLVXCEMXJGJVHQ-INIZCTEOSA-N 1 3 309.498 2.201 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CC1CC1)C1CC1 ZINC001448605064 1185318788 /nfs/dbraw/zinc/31/87/88/1185318788.db2.gz SZZBJOQXURUZJT-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(F)c2)[C@@H]1C ZINC001448973158 1185467037 /nfs/dbraw/zinc/46/70/37/1185467037.db2.gz DUKSRNQEQQEBMW-WMLDXEAASA-N 1 3 321.440 2.247 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C1CC[NH+](CC[C@H](C)F)CC1 ZINC001449355575 1185674159 /nfs/dbraw/zinc/67/41/59/1185674159.db2.gz PMVNHVCESGCUSB-LSDHHAIUSA-N 1 3 315.477 2.291 20 0 DEADHO CC[C@H](F)C[NH2+]CC1(NC(=O)CN(C)C(C)C)CCCC1 ZINC001405402706 1164073116 /nfs/dbraw/zinc/07/31/16/1164073116.db2.gz FEAPCDPJFOFDIA-AWEZNQCLSA-N 1 3 301.450 2.093 20 0 DEADHO CN(C)Cc1ccnc(N2C[C@H]3[NH2+]Cc4ccccc4[C@H]3C2)c1 ZINC001164423994 718946721 /nfs/dbraw/zinc/94/67/21/718946721.db2.gz LLQHTXLUZHZDBX-QZTJIDSGSA-N 1 3 308.429 2.219 20 0 DEADHO CN(Cc1ccc(N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)nc1)C1CC1 ZINC001164624836 719123305 /nfs/dbraw/zinc/12/33/05/719123305.db2.gz WLEMBOMBERIOOG-ZBFHGGJFSA-N 1 3 318.440 2.189 20 0 DEADHO CC(C)N1CCN(CC[NH2+][C@@H](C)Cc2cccc(F)c2)CC1 ZINC001168460371 782474380 /nfs/dbraw/zinc/47/43/80/782474380.db2.gz SHWVKGCSEDZNBD-INIZCTEOSA-N 1 3 307.457 2.372 20 0 DEADHO C[C@H]1C[C@@H](C(=O)NCC2(NC/C=C\Cl)CCC2)CC[N@@H+]1C ZINC001407796062 1165314917 /nfs/dbraw/zinc/31/49/17/1165314917.db2.gz GZTRTRZPQMPNPI-GHGQEBASSA-N 1 3 313.873 2.098 20 0 DEADHO C[C@H]1C[C@@H](C(=O)NCC2(NC/C=C\Cl)CCC2)CC[N@H+]1C ZINC001407796062 1165314923 /nfs/dbraw/zinc/31/49/23/1165314923.db2.gz GZTRTRZPQMPNPI-GHGQEBASSA-N 1 3 313.873 2.098 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC(C)C ZINC001408359234 1165613302 /nfs/dbraw/zinc/61/33/02/1165613302.db2.gz VWVARIVOQXVTTI-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC(C)C ZINC001408359234 1165613306 /nfs/dbraw/zinc/61/33/06/1165613306.db2.gz VWVARIVOQXVTTI-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001106633574 782819644 /nfs/dbraw/zinc/81/96/44/782819644.db2.gz NEYFWLKGSTUTKJ-BRWVUGGUSA-N 1 3 309.498 2.223 20 0 DEADHO CC(C)CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001106664960 782840077 /nfs/dbraw/zinc/84/00/77/782840077.db2.gz DFBIQJRUWDESRN-IXDOHACOSA-N 1 3 309.498 2.201 20 0 DEADHO CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001106729163 782892942 /nfs/dbraw/zinc/89/29/42/782892942.db2.gz KTWMXMBOCJFROH-BRWVUGGUSA-N 1 3 309.498 2.343 20 0 DEADHO CCC[N@@H+]1CC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089490407 783156106 /nfs/dbraw/zinc/15/61/06/783156106.db2.gz AOOXUNXYDXSXRC-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO CCC[N@H+]1CC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089490407 783156111 /nfs/dbraw/zinc/15/61/11/783156111.db2.gz AOOXUNXYDXSXRC-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CCCF)CC(C)(C)C1 ZINC001089549420 783200017 /nfs/dbraw/zinc/20/00/17/783200017.db2.gz YBMXJFRACYCWGD-CQSZACIVSA-N 1 3 324.444 2.227 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CCCF)CC(C)(C)C1 ZINC001089549420 783200024 /nfs/dbraw/zinc/20/00/24/783200024.db2.gz YBMXJFRACYCWGD-CQSZACIVSA-N 1 3 324.444 2.227 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](CCC1CCCC1)C2)N(C)C ZINC001072989647 790360091 /nfs/dbraw/zinc/36/00/91/790360091.db2.gz LKIDLZDZSPLXRE-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CCC1CCCC1)C2)N(C)C ZINC001072989647 790360104 /nfs/dbraw/zinc/36/01/04/790360104.db2.gz LKIDLZDZSPLXRE-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC1(C)CCN(CC(=O)NCCC2(C[NH2+]CCC3CC3)CC2)C1 ZINC001167241078 776792543 /nfs/dbraw/zinc/79/25/43/776792543.db2.gz ZFHXZCCJRNVMTG-UHFFFAOYSA-N 1 3 321.509 2.395 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CCc2cccs2)C1 ZINC001210811646 776956940 /nfs/dbraw/zinc/95/69/40/776956940.db2.gz PNGRVMBSPXVQMY-OAHLLOKOSA-N 1 3 323.506 2.213 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001203202824 776987226 /nfs/dbraw/zinc/98/72/26/776987226.db2.gz BKUWZDCSAMNIJO-BENRWUELSA-N 1 3 322.280 2.228 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001203202824 776987233 /nfs/dbraw/zinc/98/72/33/776987233.db2.gz BKUWZDCSAMNIJO-BENRWUELSA-N 1 3 322.280 2.228 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC2CC2)C1)N(C)C ZINC001104319259 777042298 /nfs/dbraw/zinc/04/22/98/777042298.db2.gz KYOIAKMYANPURD-NXHRZFHOSA-N 1 3 323.525 2.447 20 0 DEADHO CC(C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCCN1C(C)C ZINC001087165681 777164415 /nfs/dbraw/zinc/16/44/15/777164415.db2.gz HONNBGDZADAPKF-IKGGRYGDSA-N 1 3 309.498 2.484 20 0 DEADHO CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1nc[nH]c1C ZINC001087316527 777777012 /nfs/dbraw/zinc/77/70/12/777777012.db2.gz SWIJEHDKXANWKG-XOKHGSTOSA-N 1 3 318.465 2.276 20 0 DEADHO CCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1nc[nH]c1C ZINC001087316527 777777017 /nfs/dbraw/zinc/77/70/17/777777017.db2.gz SWIJEHDKXANWKG-XOKHGSTOSA-N 1 3 318.465 2.276 20 0 DEADHO CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001104641656 777989755 /nfs/dbraw/zinc/98/97/55/777989755.db2.gz YNAXNFWBTNFEJG-BRWVUGGUSA-N 1 3 311.514 2.447 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCC2)C1 ZINC001104676615 778016438 /nfs/dbraw/zinc/01/64/38/778016438.db2.gz RMLBRSMMIYKCNR-JFIYKMOQSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCC3CC3)C2)C1 ZINC001104680893 778018339 /nfs/dbraw/zinc/01/83/39/778018339.db2.gz YNWXKJPJEULVDX-LZLYRXPVSA-N 1 3 321.509 2.203 20 0 DEADHO CCN(CC)CC(=O)NCC1CC([NH2+]CCCC2CCC2)C1 ZINC001100770683 778145744 /nfs/dbraw/zinc/14/57/44/778145744.db2.gz JTLAOYVXDIRUEB-UHFFFAOYSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCNc1ccc2c(n1)OCCNC2 ZINC001167750831 778413917 /nfs/dbraw/zinc/41/39/17/778413917.db2.gz DKRICHUNXQPGGZ-CQSZACIVSA-N 1 3 304.438 2.240 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCNc1ccc2c(n1)OCCNC2 ZINC001167750831 778413924 /nfs/dbraw/zinc/41/39/24/778413924.db2.gz DKRICHUNXQPGGZ-CQSZACIVSA-N 1 3 304.438 2.240 20 0 DEADHO CC(C)CC[N@@H+]1CCC2(CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001073453970 790665977 /nfs/dbraw/zinc/66/59/77/790665977.db2.gz DIPLETUFZFOGPT-CALCHBBNSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)CC[N@H+]1CCC2(CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001073453970 790665979 /nfs/dbraw/zinc/66/59/79/790665979.db2.gz DIPLETUFZFOGPT-CALCHBBNSA-N 1 3 321.509 2.440 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001075785241 779234498 /nfs/dbraw/zinc/23/44/98/779234498.db2.gz WIKHFEOVKSKMIK-YESZJQIVSA-N 1 3 307.482 2.192 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001075785241 779234499 /nfs/dbraw/zinc/23/44/99/779234499.db2.gz WIKHFEOVKSKMIK-YESZJQIVSA-N 1 3 307.482 2.192 20 0 DEADHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC001203437698 779250857 /nfs/dbraw/zinc/25/08/57/779250857.db2.gz RKKHEQUNOGBQKY-UHFFFAOYSA-N 1 3 321.440 2.248 20 0 DEADHO C[C@@H]1CC(NCCn2cncn2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168015484 779344319 /nfs/dbraw/zinc/34/43/19/779344319.db2.gz QUSXGTQHVHFPLI-HZPDHXFCSA-N 1 3 313.449 2.309 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CCN1C/C=C/Cl ZINC001087626314 779383385 /nfs/dbraw/zinc/38/33/85/779383385.db2.gz ULFUGLYXABAVNS-MEHPFAQDSA-N 1 3 313.873 2.192 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CCN1C/C=C/Cl ZINC001087626314 779383391 /nfs/dbraw/zinc/38/33/91/779383391.db2.gz ULFUGLYXABAVNS-MEHPFAQDSA-N 1 3 313.873 2.192 20 0 DEADHO C[C@@H]1CC([N@@H+]2CCNC(=O)CC2)C[C@@H](C)N1Cc1ccccc1 ZINC001168039740 779573335 /nfs/dbraw/zinc/57/33/35/779573335.db2.gz HXDGVVFYCJVGPM-HZPDHXFCSA-N 1 3 315.461 2.250 20 0 DEADHO C[C@@H]1CC([N@H+]2CCNC(=O)CC2)C[C@@H](C)N1Cc1ccccc1 ZINC001168039740 779573340 /nfs/dbraw/zinc/57/33/40/779573340.db2.gz HXDGVVFYCJVGPM-HZPDHXFCSA-N 1 3 315.461 2.250 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCCC[C@H]([NH2+]CCC3CC3)C2)C1 ZINC001088381927 780051510 /nfs/dbraw/zinc/05/15/10/780051510.db2.gz QBRPBCIGCURDQI-AEFFLSMTSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)C23CCCN2CCC3)[C@H]1C ZINC001088702201 780862292 /nfs/dbraw/zinc/86/22/92/780862292.db2.gz IXDKMERTTPUQPK-OAGGEKHMSA-N 1 3 307.482 2.240 20 0 DEADHO CC[C@@H](C)C[N@H+]1CC[C@H](NC(=O)C23CCCN2CCC3)[C@H]1C ZINC001088702201 780862302 /nfs/dbraw/zinc/86/23/02/780862302.db2.gz IXDKMERTTPUQPK-OAGGEKHMSA-N 1 3 307.482 2.240 20 0 DEADHO Cc1cc(CN2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc(F)c1F ZINC001143605379 781043212 /nfs/dbraw/zinc/04/32/12/781043212.db2.gz MSSFRQYONOLECT-DLBZAZTESA-N 1 3 323.431 2.483 20 0 DEADHO O=c1ccc2c([nH]1)CC[N@H+](C1CCN(CC3CC3)CC1)CC2 ZINC001168387897 781775257 /nfs/dbraw/zinc/77/52/57/781775257.db2.gz XSIWKHSJSGYAKF-UHFFFAOYSA-N 1 3 301.434 2.062 20 0 DEADHO O=c1ccc2c([nH]1)CC[N@@H+](C1CCN(CC3CC3)CC1)CC2 ZINC001168387897 781775261 /nfs/dbraw/zinc/77/52/61/781775261.db2.gz XSIWKHSJSGYAKF-UHFFFAOYSA-N 1 3 301.434 2.062 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCCC(C)C)[C@H](C)C1 ZINC001106910831 783420055 /nfs/dbraw/zinc/42/00/55/783420055.db2.gz QPQOSKFDXZPJSY-IAGOWNOFSA-N 1 3 311.514 2.449 20 0 DEADHO CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCC1 ZINC001089846738 783497937 /nfs/dbraw/zinc/49/79/37/783497937.db2.gz PLEROKIMOMKQAK-HZMVEIRTSA-N 1 3 319.493 2.050 20 0 DEADHO CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCC1 ZINC001089846738 783497947 /nfs/dbraw/zinc/49/79/47/783497947.db2.gz PLEROKIMOMKQAK-HZMVEIRTSA-N 1 3 319.493 2.050 20 0 DEADHO CCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001085639175 783914462 /nfs/dbraw/zinc/91/44/62/783914462.db2.gz JSABNNKUUTZPPS-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001085639175 783914473 /nfs/dbraw/zinc/91/44/73/783914473.db2.gz JSABNNKUUTZPPS-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001085856352 784150373 /nfs/dbraw/zinc/15/03/73/784150373.db2.gz XAIHFUQGAWBUDA-IRXDYDNUSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001085856352 784150378 /nfs/dbraw/zinc/15/03/78/784150378.db2.gz XAIHFUQGAWBUDA-IRXDYDNUSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N(C)C[C@H]2CCN2CC2CC2)CC1 ZINC001085902250 784192855 /nfs/dbraw/zinc/19/28/55/784192855.db2.gz XXIBWVYHPBFRAV-QGZVFWFLSA-N 1 3 307.482 2.050 20 0 DEADHO COC(=O)C1(C)CCC(N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001168772818 784366590 /nfs/dbraw/zinc/36/65/90/784366590.db2.gz POBFAZYCYNCQNE-UHFFFAOYSA-N 1 3 317.433 2.326 20 0 DEADHO C[C@@H]1CC[N@H+](Cc2ccsc2)C[C@H]1NC(=O)CN1CCCC1 ZINC000968651690 784521682 /nfs/dbraw/zinc/52/16/82/784521682.db2.gz LVSGOECZRHKMAM-GDBMZVCRSA-N 1 3 321.490 2.171 20 0 DEADHO C[C@@H]1CC[N@@H+](Cc2ccsc2)C[C@H]1NC(=O)CN1CCCC1 ZINC000968651690 784521686 /nfs/dbraw/zinc/52/16/86/784521686.db2.gz LVSGOECZRHKMAM-GDBMZVCRSA-N 1 3 321.490 2.171 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC2)C1 ZINC001086364874 784626823 /nfs/dbraw/zinc/62/68/23/784626823.db2.gz VKKRJLRUPIQZRO-BRWVUGGUSA-N 1 3 307.482 2.144 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]CC3CC(C)(C)C3)C2)CCC1 ZINC000968907424 784646216 /nfs/dbraw/zinc/64/62/16/784646216.db2.gz MQABTBVZWWZOAH-OAHLLOKOSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC2CCC(C)CC2)C1)N(C)C ZINC000969074913 784715720 /nfs/dbraw/zinc/71/57/20/784715720.db2.gz ZLQZEAMGHNYEOW-BHUNQDJPSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1C[C@H](NCCC[NH+]2CCCC2)CN1C(=O)OC(C)(C)C ZINC001168799200 784921135 /nfs/dbraw/zinc/92/11/35/784921135.db2.gz BOVVPGCIZNKPHL-CABCVRRESA-N 1 3 311.470 2.460 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CCCN2CCCC2)CN1C(=O)OC(C)(C)C ZINC001168799200 784921137 /nfs/dbraw/zinc/92/11/37/784921137.db2.gz BOVVPGCIZNKPHL-CABCVRRESA-N 1 3 311.470 2.460 20 0 DEADHO C[C@H](CCCC[NH2+]C/C=C\Cl)NC(=O)C1(N(C)C)CCC1 ZINC001171236490 791081598 /nfs/dbraw/zinc/08/15/98/791081598.db2.gz MQOIBQITNDVHAQ-SMJHDNPOSA-N 1 3 315.889 2.488 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1nc(-c3ccccc3)no1)C2 ZINC001169093547 785030346 /nfs/dbraw/zinc/03/03/46/785030346.db2.gz IIVSYZOJSZLKEU-MUJYYYPQSA-N 1 3 312.417 2.494 20 0 DEADHO COc1cccnc1C1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169116902 785041887 /nfs/dbraw/zinc/04/18/87/785041887.db2.gz SSNBJFNBGIDVIU-QKDCVEJESA-N 1 3 301.434 2.337 20 0 DEADHO COc1cccnc1C1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169116902 785041894 /nfs/dbraw/zinc/04/18/94/785041894.db2.gz SSNBJFNBGIDVIU-QKDCVEJESA-N 1 3 301.434 2.337 20 0 DEADHO C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3C)CC[C@@]1(O)C(F)(F)F ZINC001169124893 785047648 /nfs/dbraw/zinc/04/76/48/785047648.db2.gz GIFAJZASRIZLRR-RGDJUOJXSA-N 1 3 306.372 2.247 20 0 DEADHO C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3C)CC[C@@]1(O)C(F)(F)F ZINC001169124893 785047658 /nfs/dbraw/zinc/04/76/58/785047658.db2.gz GIFAJZASRIZLRR-RGDJUOJXSA-N 1 3 306.372 2.247 20 0 DEADHO CC(C)C(=O)N(C)C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169153070 785066200 /nfs/dbraw/zinc/06/62/00/785066200.db2.gz GPMMFNKNKKWGFC-FVQHAEBGSA-N 1 3 307.482 2.190 20 0 DEADHO CC(C)C(=O)N(C)C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169153070 785066205 /nfs/dbraw/zinc/06/62/05/785066205.db2.gz GPMMFNKNKKWGFC-FVQHAEBGSA-N 1 3 307.482 2.190 20 0 DEADHO CC[NH+]1CCC(n2nc(C(F)(F)F)c3c2CCNC3)CC1 ZINC001169266299 785105072 /nfs/dbraw/zinc/10/50/72/785105072.db2.gz VOUCESFRPZUNPO-UHFFFAOYSA-N 1 3 302.344 2.204 20 0 DEADHO CN(C)CCC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169759292 785353841 /nfs/dbraw/zinc/35/38/41/785353841.db2.gz KSOYBJZOYNODRY-QGZVFWFLSA-N 1 3 303.450 2.175 20 0 DEADHO CN(C)CCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169759292 785353851 /nfs/dbraw/zinc/35/38/51/785353851.db2.gz KSOYBJZOYNODRY-QGZVFWFLSA-N 1 3 303.450 2.175 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C1CCC1)C2 ZINC001108704344 785495329 /nfs/dbraw/zinc/49/53/29/785495329.db2.gz IRCHKJUSRJEUMT-JZXOWHBKSA-N 1 3 319.493 2.406 20 0 DEADHO C[C@H](CN)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171252441 791142233 /nfs/dbraw/zinc/14/22/33/791142233.db2.gz XAYOTSPLDFEJDK-NAZJXLNTSA-N 1 3 315.461 2.349 20 0 DEADHO C[C@H](CN)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171252441 791142239 /nfs/dbraw/zinc/14/22/39/791142239.db2.gz XAYOTSPLDFEJDK-NAZJXLNTSA-N 1 3 315.461 2.349 20 0 DEADHO Cc1cc(C)c(C[NH2+]CCNC(=O)CN(C)C2CCC2)c(C)c1 ZINC001129526348 787221847 /nfs/dbraw/zinc/22/18/47/787221847.db2.gz CEJHOSUYEXHAKW-UHFFFAOYSA-N 1 3 317.477 2.302 20 0 DEADHO Cc1cc(CNCCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)cs1 ZINC001130189743 787308628 /nfs/dbraw/zinc/30/86/28/787308628.db2.gz RQKTXSOCKGJCAB-CVEARBPZSA-N 1 3 321.490 2.279 20 0 DEADHO Cc1cc(CNCCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)cs1 ZINC001130189743 787308637 /nfs/dbraw/zinc/30/86/37/787308637.db2.gz RQKTXSOCKGJCAB-CVEARBPZSA-N 1 3 321.490 2.279 20 0 DEADHO CCOC(=O)C1=C(Nc2ccc3c(N)cc[nH+]c3c2)CCNC1 ZINC001170520384 787493486 /nfs/dbraw/zinc/49/34/86/787493486.db2.gz FVRXMWRYZFULPW-UHFFFAOYSA-N 1 3 312.373 2.039 20 0 DEADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C2 ZINC001096101139 787505543 /nfs/dbraw/zinc/50/55/43/787505543.db2.gz OFIULYPHIBJPNM-YVSFHVDLSA-N 1 3 307.482 2.381 20 0 DEADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C2 ZINC001096101139 787505552 /nfs/dbraw/zinc/50/55/52/787505552.db2.gz OFIULYPHIBJPNM-YVSFHVDLSA-N 1 3 307.482 2.381 20 0 DEADHO C[C@H](Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cn1)[C@@H]1CNCCO1 ZINC001170575745 787670803 /nfs/dbraw/zinc/67/08/03/787670803.db2.gz ZFZKCAWDQUULJC-VYDXJSESSA-N 1 3 318.465 2.245 20 0 DEADHO C[C@H](Nc1ccc(C[N@H+]2CCCC[C@H]2C)cn1)[C@@H]1CNCCO1 ZINC001170575745 787670806 /nfs/dbraw/zinc/67/08/06/787670806.db2.gz ZFZKCAWDQUULJC-VYDXJSESSA-N 1 3 318.465 2.245 20 0 DEADHO CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001096605175 787754625 /nfs/dbraw/zinc/75/46/25/787754625.db2.gz DWRXVVNVJRYDMG-NJAFHUGGSA-N 1 3 315.461 2.493 20 0 DEADHO CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001096605175 787754636 /nfs/dbraw/zinc/75/46/36/787754636.db2.gz DWRXVVNVJRYDMG-NJAFHUGGSA-N 1 3 315.461 2.493 20 0 DEADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001097719123 788196052 /nfs/dbraw/zinc/19/60/52/788196052.db2.gz XMAFANFXEWPGMK-AVEIZBFRSA-N 1 3 319.493 2.404 20 0 DEADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001097719123 788196058 /nfs/dbraw/zinc/19/60/58/788196058.db2.gz XMAFANFXEWPGMK-AVEIZBFRSA-N 1 3 319.493 2.404 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1C ZINC001132889016 788219916 /nfs/dbraw/zinc/21/99/16/788219916.db2.gz URDRMZYLSBAVLS-HOTGVXAUSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1C ZINC001133121575 788287423 /nfs/dbraw/zinc/28/74/23/788287423.db2.gz JGKLCGXLUIVBRH-JKSUJKDBSA-N 1 3 311.514 2.447 20 0 DEADHO CCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1C ZINC001133121239 788287491 /nfs/dbraw/zinc/28/74/91/788287491.db2.gz FNRYPRHTGQHLAI-JKSUJKDBSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CCCCCF ZINC001133134148 788290849 /nfs/dbraw/zinc/29/08/49/788290849.db2.gz AFBAPHFORISUAX-GJZGRUSLSA-N 1 3 324.444 2.166 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC2CCC2)C1 ZINC001133345377 788376570 /nfs/dbraw/zinc/37/65/70/788376570.db2.gz BHDKTAFMSKLJMF-WBVHZDCISA-N 1 3 309.498 2.201 20 0 DEADHO CCc1ccccc1C[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001133415902 788407937 /nfs/dbraw/zinc/40/79/37/788407937.db2.gz UGANHMQNYZPNAX-QGZVFWFLSA-N 1 3 305.466 2.041 20 0 DEADHO CC[C@@H]([NH2+]CCNC(=O)CN1CC[C@H](C)C1)c1ccccc1 ZINC001133849753 788641081 /nfs/dbraw/zinc/64/10/81/788641081.db2.gz DAAFLPDMOHDDPG-DOTOQJQBSA-N 1 3 303.450 2.185 20 0 DEADHO Cc1cc(C)cc(C[NH2+]CCNC(=O)CN2CCC(C)(C)C2)c1 ZINC001133872992 788652549 /nfs/dbraw/zinc/65/25/49/788652549.db2.gz JSWWLTHFBVQSIZ-UHFFFAOYSA-N 1 3 317.477 2.241 20 0 DEADHO CN(CC(=O)NCC[NH2+]C/C=C/c1ccccc1)CC(C)(C)C ZINC001133897053 788663480 /nfs/dbraw/zinc/66/34/80/788663480.db2.gz XINKWIXNOOIJIS-DHZHZOJOSA-N 1 3 317.477 2.384 20 0 DEADHO CN(CC(=O)NCC[NH2+]C/C=C\c1ccccc1)CC(C)(C)C ZINC001133897054 788663649 /nfs/dbraw/zinc/66/36/49/788663649.db2.gz XINKWIXNOOIJIS-FLIBITNWSA-N 1 3 317.477 2.384 20 0 DEADHO Cc1ccc(C[NH2+]CCNC(=O)CN(C)CC(C)(C)C)cc1C ZINC001133906305 788666090 /nfs/dbraw/zinc/66/60/90/788666090.db2.gz RZQNMXSWOQIFSI-UHFFFAOYSA-N 1 3 319.493 2.487 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+]Cc1ccc(C2CC2)cc1)N(C)C ZINC001133965704 788695131 /nfs/dbraw/zinc/69/51/31/788695131.db2.gz GIIBIUFJKQOBSB-KRWDZBQOSA-N 1 3 303.450 2.110 20 0 DEADHO C[C@@H](CCCC[NH2+]CCF)NC(=O)C(C)(C)N1CCCCC1 ZINC001170769718 789064639 /nfs/dbraw/zinc/06/46/39/789064639.db2.gz NGUJZYXKMUWDHO-HNNXBMFYSA-N 1 3 315.477 2.485 20 0 DEADHO Cc1cc(CNCCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)cs1 ZINC001135102217 789199522 /nfs/dbraw/zinc/19/95/22/789199522.db2.gz AAIAPFOAVOBPEX-HOTGVXAUSA-N 1 3 321.490 2.279 20 0 DEADHO Cc1cc(CNCCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)cs1 ZINC001135102217 789199526 /nfs/dbraw/zinc/19/95/26/789199526.db2.gz AAIAPFOAVOBPEX-HOTGVXAUSA-N 1 3 321.490 2.279 20 0 DEADHO CCCCCCN(C)CC(=O)NCC[NH2+]Cc1cnccc1C ZINC001135436909 789342113 /nfs/dbraw/zinc/34/21/13/789342113.db2.gz FVHKPDCHZZFXDA-UHFFFAOYSA-N 1 3 320.481 2.108 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001135510530 789381143 /nfs/dbraw/zinc/38/11/43/789381143.db2.gz ADDRKELXXSVCOI-QGZVFWFLSA-N 1 3 321.440 2.251 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccsc1 ZINC001135979255 789582398 /nfs/dbraw/zinc/58/23/98/789582398.db2.gz DDTYYMCVTJYOJT-UONOGXRCSA-N 1 3 311.495 2.463 20 0 DEADHO C[C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C[NH2+]CC1CCC1 ZINC001072301911 790110424 /nfs/dbraw/zinc/11/04/24/790110424.db2.gz ZJRFDJVGHDZKGS-RDJZCZTQSA-N 1 3 321.509 2.345 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC2(C1)CC[N@H+](CCC(C)(C)C)C2)C1CC1 ZINC001072814667 790257320 /nfs/dbraw/zinc/25/73/20/790257320.db2.gz KLVQAUWGCKPASC-MRXNPFEDSA-N 1 3 321.509 2.297 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CCC(C)(C)C)C2)C1CC1 ZINC001072814667 790257325 /nfs/dbraw/zinc/25/73/25/790257325.db2.gz KLVQAUWGCKPASC-MRXNPFEDSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCCCF ZINC001146590963 791318728 /nfs/dbraw/zinc/31/87/28/791318728.db2.gz FFTQHVGLNGNFTL-CABCVRRESA-N 1 3 303.466 2.339 20 0 DEADHO CC/C=C\CC[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001147724611 791605409 /nfs/dbraw/zinc/60/54/09/791605409.db2.gz KTIHOUMKJNONEG-OSJSJHBBSA-N 1 3 319.493 2.217 20 0 DEADHO CC/C=C\CC[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001147724611 791605413 /nfs/dbraw/zinc/60/54/13/791605413.db2.gz KTIHOUMKJNONEG-OSJSJHBBSA-N 1 3 319.493 2.217 20 0 DEADHO CCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001147725458 791607398 /nfs/dbraw/zinc/60/73/98/791607398.db2.gz XJZNAFREXJZJDN-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CCCCC[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001147725458 791607404 /nfs/dbraw/zinc/60/74/04/791607404.db2.gz XJZNAFREXJZJDN-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](CC1CCCC1)C2 ZINC001148651681 791781351 /nfs/dbraw/zinc/78/13/51/791781351.db2.gz NCEGEAMAXLIFLI-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](CC1CCCC1)C2 ZINC001148651681 791781353 /nfs/dbraw/zinc/78/13/53/791781353.db2.gz NCEGEAMAXLIFLI-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC001148638781 791787210 /nfs/dbraw/zinc/78/72/10/791787210.db2.gz RIJIUZQPJDCEKP-MRXNPFEDSA-N 1 3 323.868 2.375 20 0 DEADHO CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001086882455 791835355 /nfs/dbraw/zinc/83/53/55/791835355.db2.gz RCYQFNFCFFSVAD-WMLDXEAASA-N 1 3 303.450 2.256 20 0 DEADHO C[C@@H]1CC2(CN1C(=O)Cc1c[nH]cn1)CC[NH+](CC1CC1)CC2 ZINC001086946288 791858725 /nfs/dbraw/zinc/85/87/25/791858725.db2.gz VMOJQWRFVMXKEB-CQSZACIVSA-N 1 3 316.449 2.065 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C(C)C)C1 ZINC001099442896 792208385 /nfs/dbraw/zinc/20/83/85/792208385.db2.gz AUSLZMVHUXZXDV-LNLFQRSKSA-N 1 3 321.509 2.488 20 0 DEADHO CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN(C)C(C)C)C1 ZINC001099553377 792239760 /nfs/dbraw/zinc/23/97/60/792239760.db2.gz TWNLNFFICKJRQB-XSLAGTTESA-N 1 3 321.509 2.296 20 0 DEADHO CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN(C)C(C)C)C1 ZINC001099553377 792239771 /nfs/dbraw/zinc/23/97/71/792239771.db2.gz TWNLNFFICKJRQB-XSLAGTTESA-N 1 3 321.509 2.296 20 0 DEADHO CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001093379857 792351347 /nfs/dbraw/zinc/35/13/47/792351347.db2.gz KSLBDKDORFSMHA-QGZVFWFLSA-N 1 3 316.449 2.065 20 0 DEADHO CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001093379857 792351364 /nfs/dbraw/zinc/35/13/64/792351364.db2.gz KSLBDKDORFSMHA-QGZVFWFLSA-N 1 3 316.449 2.065 20 0 DEADHO CC/C=C\CC[NH2+]C1CC(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001100405774 792632072 /nfs/dbraw/zinc/63/20/72/792632072.db2.gz MCLIEDANPDPEBZ-WAYWQWQTSA-N 1 3 307.482 2.311 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC2CC([NH2+]CCCC3CCC3)C2)C1 ZINC001100678493 792784646 /nfs/dbraw/zinc/78/46/46/792784646.db2.gz MUGKDYVJRDFIGA-FAEJEUNOSA-N 1 3 321.509 2.393 20 0 DEADHO C[C@@H](F)CC[NH2+]C1CC(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001100681633 792785552 /nfs/dbraw/zinc/78/55/52/792785552.db2.gz OLMQPNCUVFDPQH-WLYUNCDWSA-N 1 3 315.477 2.197 20 0 DEADHO CCCN(C)CC(=O)NCC1CC([NH2+]Cc2ccccc2F)C1 ZINC001100900288 792908415 /nfs/dbraw/zinc/90/84/15/792908415.db2.gz ZGLASIVTDWXQCG-UHFFFAOYSA-N 1 3 321.440 2.152 20 0 DEADHO CCCCC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@]2(C)C1 ZINC001101268767 793090053 /nfs/dbraw/zinc/09/00/53/793090053.db2.gz UUFAVDPUGXYUQY-APWZRJJASA-N 1 3 321.509 2.441 20 0 DEADHO CCCCC[N@H+]1C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@]2(C)C1 ZINC001101268767 793090066 /nfs/dbraw/zinc/09/00/66/793090066.db2.gz UUFAVDPUGXYUQY-APWZRJJASA-N 1 3 321.509 2.441 20 0 DEADHO CN1C(C)(C)CC([NH2+][C@@H]2CCC[C@@H]2N2CCOCC2)CC1(C)C ZINC001171625922 793157007 /nfs/dbraw/zinc/15/70/07/793157007.db2.gz PTJMOGCOHLITTQ-SJORKVTESA-N 1 3 323.525 2.481 20 0 DEADHO C[NH+]1C(C)(C)CC(N[C@@H]2CCC[C@@H]2N2CCOCC2)CC1(C)C ZINC001171625922 793157012 /nfs/dbraw/zinc/15/70/12/793157012.db2.gz PTJMOGCOHLITTQ-SJORKVTESA-N 1 3 323.525 2.481 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](CC3CCCC3)C[C@@]2(C)C1 ZINC001101440464 793162298 /nfs/dbraw/zinc/16/22/98/793162298.db2.gz NAQSKMOVBYWDCJ-MJGOQNOKSA-N 1 3 321.509 2.299 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](CC3CCCC3)C[C@@]2(C)C1 ZINC001101440464 793162306 /nfs/dbraw/zinc/16/23/06/793162306.db2.gz NAQSKMOVBYWDCJ-MJGOQNOKSA-N 1 3 321.509 2.299 20 0 DEADHO CN1C(C)(C)CC([NH+]2CCC3(CCC(=O)N3)CC2)CC1(C)C ZINC001171640639 793173220 /nfs/dbraw/zinc/17/32/20/793173220.db2.gz IDOJUVFEDPMWON-UHFFFAOYSA-N 1 3 307.482 2.382 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1ccc(Cl)s1 ZINC001171757305 793197964 /nfs/dbraw/zinc/19/79/64/793197964.db2.gz IAGDNMCBRQSDLB-UHFFFAOYSA-N 1 3 317.886 2.339 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]CCCc1cccc(C)c1 ZINC001171763144 793199319 /nfs/dbraw/zinc/19/93/19/793199319.db2.gz SMGGKODJPWKBMM-UHFFFAOYSA-N 1 3 319.493 2.365 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001171769636 793200862 /nfs/dbraw/zinc/20/08/62/793200862.db2.gz BPLBMXAUAVEKCQ-QGZVFWFLSA-N 1 3 321.440 2.251 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+][C@@H]1CCc2c1cccc2F ZINC001171770578 793202583 /nfs/dbraw/zinc/20/25/83/793202583.db2.gz TTWXVUMUGJPGEA-QGZVFWFLSA-N 1 3 321.440 2.251 20 0 DEADHO CC(=O)N1CC([NH2+][C@H]2CCN(Cc3ccccc3)C(C)(C)C2)C1 ZINC001171974456 793284458 /nfs/dbraw/zinc/28/44/58/793284458.db2.gz GFUZXZJFCGAHAQ-KRWDZBQOSA-N 1 3 315.461 2.250 20 0 DEADHO NCc1cnnn1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172073422 793310531 /nfs/dbraw/zinc/31/05/31/793310531.db2.gz QNDRIUHSKBLNLC-BJWYYQGGSA-N 1 3 311.433 2.495 20 0 DEADHO NCc1cnnn1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172073422 793310538 /nfs/dbraw/zinc/31/05/38/793310538.db2.gz QNDRIUHSKBLNLC-BJWYYQGGSA-N 1 3 311.433 2.495 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCCN(c3ncccn3)CC1)C2 ZINC001172125943 793317173 /nfs/dbraw/zinc/31/71/73/793317173.db2.gz SCTVEGLEZZFLGX-FVQHAEBGSA-N 1 3 315.465 2.004 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCCN(c3ncccn3)CC1)C2 ZINC001172125943 793317180 /nfs/dbraw/zinc/31/71/80/793317180.db2.gz SCTVEGLEZZFLGX-FVQHAEBGSA-N 1 3 315.465 2.004 20 0 DEADHO Cc1cncnc1O[C@@H]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172134754 793324542 /nfs/dbraw/zinc/32/45/42/793324542.db2.gz ZAOIQEMJYSGWGP-YYIAUSFCSA-N 1 3 316.449 2.253 20 0 DEADHO Cc1cncnc1O[C@@H]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172134754 793324552 /nfs/dbraw/zinc/32/45/52/793324552.db2.gz ZAOIQEMJYSGWGP-YYIAUSFCSA-N 1 3 316.449 2.253 20 0 DEADHO COCCCN1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001172107189 793332723 /nfs/dbraw/zinc/33/27/23/793332723.db2.gz ULDDMZGWWMLXSL-NNZMDNLPSA-N 1 3 309.498 2.092 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@@]1(O)CCOc3ccccc31)C2 ZINC001172112744 793335365 /nfs/dbraw/zinc/33/53/65/793335365.db2.gz ZQPUVQKPVZFTAX-GGXPGOJBSA-N 1 3 316.445 2.262 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@@]1(O)CCOc3ccccc31)C2 ZINC001172112744 793335375 /nfs/dbraw/zinc/33/53/75/793335375.db2.gz ZQPUVQKPVZFTAX-GGXPGOJBSA-N 1 3 316.445 2.262 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCCC[C@@H]1C(=O)N1CCCC1)C2 ZINC001172123375 793344379 /nfs/dbraw/zinc/34/43/79/793344379.db2.gz FZUYTJAUUJGDFK-VSZNYVQBSA-N 1 3 319.493 2.479 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCCC[C@@H]1C(=O)N1CCCC1)C2 ZINC001172123375 793344386 /nfs/dbraw/zinc/34/43/86/793344386.db2.gz FZUYTJAUUJGDFK-VSZNYVQBSA-N 1 3 319.493 2.479 20 0 DEADHO O=C1CC[C@@H]2C[C@@H]([N@@H+]3CCCC[C@H]3CCN3CCCC3)CCN12 ZINC001172178724 793363097 /nfs/dbraw/zinc/36/30/97/793363097.db2.gz NYJKGXFWTHDAKU-KSZLIROESA-N 1 3 319.493 2.480 20 0 DEADHO O=C1CC[C@@H]2C[C@@H]([N@H+]3CCCC[C@H]3CCN3CCCC3)CCN12 ZINC001172178724 793363105 /nfs/dbraw/zinc/36/31/05/793363105.db2.gz NYJKGXFWTHDAKU-KSZLIROESA-N 1 3 319.493 2.480 20 0 DEADHO COCCC[NH+]1CCC(NC[C@H]2Cc3ccccc3O2)CC1 ZINC001172244803 793384477 /nfs/dbraw/zinc/38/44/77/793384477.db2.gz ZKGRDDAFGWZOFW-QGZVFWFLSA-N 1 3 304.434 2.081 20 0 DEADHO CCOC(=O)CC1([NH3+])CCN([C@@H](C)CCOCC(C)C)CC1 ZINC001172464574 793433675 /nfs/dbraw/zinc/43/36/75/793433675.db2.gz BVZBQFPMLUZUSH-HNNXBMFYSA-N 1 3 314.470 2.184 20 0 DEADHO CCOC(=O)CC1(N)CC[NH+]([C@@H](C)CCOCC(C)C)CC1 ZINC001172464574 793433678 /nfs/dbraw/zinc/43/36/78/793433678.db2.gz BVZBQFPMLUZUSH-HNNXBMFYSA-N 1 3 314.470 2.184 20 0 DEADHO Cc1ccc2c(c1)C[C@@H](N1CCN(CC[NH+](C)C)CC1)CC2 ZINC001172839908 793514972 /nfs/dbraw/zinc/51/49/72/793514972.db2.gz XYVHAAVNWQXLJJ-IBGZPJMESA-N 1 3 301.478 2.032 20 0 DEADHO CC[NH+](CC)C1CCC(N2CCO[C@@H]3C[C@H](CO)C[C@H]32)CC1 ZINC001173110198 793581027 /nfs/dbraw/zinc/58/10/27/793581027.db2.gz PWRNXINQKHBNJV-QEFFHFBBSA-N 1 3 310.482 2.111 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCCCCF)C[C@H]1C)N(C)C ZINC001102380626 793596757 /nfs/dbraw/zinc/59/67/57/793596757.db2.gz PMCHXXLHZKPAGK-OAGGEKHMSA-N 1 3 315.477 2.151 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCCCCF)C[C@H]1C)N(C)C ZINC001102380626 793596763 /nfs/dbraw/zinc/59/67/63/793596763.db2.gz PMCHXXLHZKPAGK-OAGGEKHMSA-N 1 3 315.477 2.151 20 0 DEADHO COc1cccc2c1C[C@@H]([NH2+]CCCN1CCCCC1)CO2 ZINC001173156292 793611781 /nfs/dbraw/zinc/61/17/81/793611781.db2.gz LTHXTYZDLYYKCL-OAHLLOKOSA-N 1 3 304.434 2.464 20 0 DEADHO CC1(C)CC(N)CC(C)(C)[NH+]1[C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173736181 793826839 /nfs/dbraw/zinc/82/68/39/793826839.db2.gz YMDJGBHRMPUVCS-UONOGXRCSA-N 1 3 306.458 2.137 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001174683911 794040541 /nfs/dbraw/zinc/04/05/41/794040541.db2.gz WMMSBXASDNCZQW-MRXNPFEDSA-N 1 3 312.417 2.044 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001103436139 794091925 /nfs/dbraw/zinc/09/19/25/794091925.db2.gz LVYRBKSMUUFDFE-GVDBMIGSSA-N 1 3 309.498 2.058 20 0 DEADHO CC(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001103436139 794091927 /nfs/dbraw/zinc/09/19/27/794091927.db2.gz LVYRBKSMUUFDFE-GVDBMIGSSA-N 1 3 309.498 2.058 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[C@@H]2C[N@H+](CCC3CC3)C[C@H]2C)C1 ZINC001103436038 794091994 /nfs/dbraw/zinc/09/19/94/794091994.db2.gz IIFNYAQSPZXERN-JFIYKMOQSA-N 1 3 321.509 2.203 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[C@@H]2C[N@@H+](CCC3CC3)C[C@H]2C)C1 ZINC001103436038 794091997 /nfs/dbraw/zinc/09/19/97/794091997.db2.gz IIFNYAQSPZXERN-JFIYKMOQSA-N 1 3 321.509 2.203 20 0 DEADHO C[C@@H](CCCC[NH2+]CCC1CC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001175262387 794172140 /nfs/dbraw/zinc/17/21/40/794172140.db2.gz FYRYZIHSZNHNSV-CVEARBPZSA-N 1 3 309.498 2.393 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1cnoc1C ZINC001175769969 794285297 /nfs/dbraw/zinc/28/52/97/794285297.db2.gz WXRUMMUJRZVTBP-AWEZNQCLSA-N 1 3 324.469 2.089 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]CC[C@H](C)F ZINC001176284462 794389475 /nfs/dbraw/zinc/38/94/75/794389475.db2.gz IAHSIEFDGUCHIG-LSDHHAIUSA-N 1 3 303.466 2.341 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)CCCC[NH2+]CC[C@@H](C)F ZINC001176753356 794497857 /nfs/dbraw/zinc/49/78/57/794497857.db2.gz GTFKKCCLLOIPRT-CABCVRRESA-N 1 3 303.466 2.339 20 0 DEADHO CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)N(C)CC)C2 ZINC001112439330 794636720 /nfs/dbraw/zinc/63/67/20/794636720.db2.gz UMHPYJJDYYGPEA-YJBOKZPZSA-N 1 3 309.498 2.345 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCCC3)C[C@H]21 ZINC001114998981 794649994 /nfs/dbraw/zinc/64/99/94/794649994.db2.gz ZVUYCYDWYQALPH-DZFIZOCASA-N 1 3 321.509 2.345 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCCC3)C[C@H]21 ZINC001114998981 794649998 /nfs/dbraw/zinc/64/99/98/794649998.db2.gz ZVUYCYDWYQALPH-DZFIZOCASA-N 1 3 321.509 2.345 20 0 DEADHO CCC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)Cc3nc[nH]c3C)[C@@H]2C1 ZINC001115170717 794696388 /nfs/dbraw/zinc/69/63/88/794696388.db2.gz WVLCEUCLYQFFOI-FZNCTLPYSA-N 1 3 316.449 2.053 20 0 DEADHO CCC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)Cc3nc[nH]c3C)[C@@H]2C1 ZINC001115170717 794696391 /nfs/dbraw/zinc/69/63/91/794696391.db2.gz WVLCEUCLYQFFOI-FZNCTLPYSA-N 1 3 316.449 2.053 20 0 DEADHO CN(CC[N@H+](C)Cc1ccccc1)C(=O)[C@@H]1CCCCN1C ZINC001178696825 794978885 /nfs/dbraw/zinc/97/88/85/794978885.db2.gz ZSFZGFWIFPCQMG-KRWDZBQOSA-N 1 3 303.450 2.061 20 0 DEADHO CN(CC[N@@H+](C)Cc1ccccc1)C(=O)[C@@H]1CCCCN1C ZINC001178696825 794978890 /nfs/dbraw/zinc/97/88/90/794978890.db2.gz ZSFZGFWIFPCQMG-KRWDZBQOSA-N 1 3 303.450 2.061 20 0 DEADHO C[C@@H](F)CC[NH2+]CCCCCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001178698236 794980614 /nfs/dbraw/zinc/98/06/14/794980614.db2.gz CIXHJTOSCMHGIY-GDBMZVCRSA-N 1 3 315.477 2.341 20 0 DEADHO CC[C@H](F)C[NH2+]CCCCCCNC(=O)CN(C)C1CCC1 ZINC001178705104 794982833 /nfs/dbraw/zinc/98/28/33/794982833.db2.gz DVCCQNSPUHGHSC-HNNXBMFYSA-N 1 3 315.477 2.485 20 0 DEADHO C[C@@H](F)CC[NH2+]CCCCCCNC(=O)CN1CC[C@@H](C)C1 ZINC001179586827 795137890 /nfs/dbraw/zinc/13/78/90/795137890.db2.gz TVJCPYHINGRFFR-HZPDHXFCSA-N 1 3 315.477 2.343 20 0 DEADHO CCCN(C)CC(=O)NCCCCCC[NH2+]Cc1conc1C ZINC001180124472 795245602 /nfs/dbraw/zinc/24/56/02/795245602.db2.gz XSSDSKQKKRUSBN-UHFFFAOYSA-N 1 3 324.469 2.091 20 0 DEADHO CCCN(C)CC(=O)NCCCCCC[NH2+]C[C@H](F)CC ZINC001180124542 795246153 /nfs/dbraw/zinc/24/61/53/795246153.db2.gz ZHTLUWCJUDYONA-OAHLLOKOSA-N 1 3 303.466 2.343 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)[C@H]2C)cc1 ZINC001180222350 795258855 /nfs/dbraw/zinc/25/88/55/795258855.db2.gz NGNFDAGFYWYUSV-WMZOPIPTSA-N 1 3 317.477 2.414 20 0 DEADHO CCN(CC)CC(=O)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001180388430 795287444 /nfs/dbraw/zinc/28/74/44/795287444.db2.gz MVVALIIBSPSTSN-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CCN(CC)CC(=O)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001180388430 795287452 /nfs/dbraw/zinc/28/74/52/795287452.db2.gz MVVALIIBSPSTSN-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO Cc1nocc1C[NH2+]CCCCCCNC(=O)CN(C)C(C)C ZINC001180369563 795292998 /nfs/dbraw/zinc/29/29/98/795292998.db2.gz MDHONKOQWJZYAE-UHFFFAOYSA-N 1 3 324.469 2.089 20 0 DEADHO CC(C)N(C)CC(=O)NCCCCCC[NH2+]C/C=C\Cl ZINC001180369713 795293004 /nfs/dbraw/zinc/29/30/04/795293004.db2.gz UFGHFDIVBSUCNY-HJWRWDBZSA-N 1 3 303.878 2.345 20 0 DEADHO O=C([C@@H]1CCCN1CC1CC1)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001182557658 795701121 /nfs/dbraw/zinc/70/11/21/795701121.db2.gz YXLJMGUSVOEUME-ROUUACIJSA-N 1 3 319.493 2.338 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)NC[C@H]2CCCC[N@H+]2C)cc(Cl)n1 ZINC001122454019 795759769 /nfs/dbraw/zinc/75/97/69/795759769.db2.gz BGMQOPKPLYHDIK-KGLIPLIRSA-N 1 3 324.856 2.034 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)NC[C@H]2CCCC[N@@H+]2C)cc(Cl)n1 ZINC001122454019 795759772 /nfs/dbraw/zinc/75/97/72/795759772.db2.gz BGMQOPKPLYHDIK-KGLIPLIRSA-N 1 3 324.856 2.034 20 0 DEADHO CC(C)CC[NH2+]C[C@]1(C)CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001183516895 795879607 /nfs/dbraw/zinc/87/96/07/795879607.db2.gz DNCJLIBNZHNVRV-SJLPKXTDSA-N 1 3 311.514 2.447 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCCCC(F)(F)F)C1)N(C)C ZINC001183582394 795896199 /nfs/dbraw/zinc/89/61/99/795896199.db2.gz XQDMSWKJKZTDQD-CHWSQXEVSA-N 1 3 323.403 2.250 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H](C[NH2+]CC2CC2)[C@H](C)C1 ZINC001184714167 796109379 /nfs/dbraw/zinc/10/93/79/796109379.db2.gz WLBLYKKTROVCTD-ZBFHGGJFSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]C/C=C\Cl)[C@H](C)C1 ZINC001185753355 796316403 /nfs/dbraw/zinc/31/64/03/796316403.db2.gz XRGSWBSKFXTZNT-JFOCPDPESA-N 1 3 315.889 2.153 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC000119479446 796387466 /nfs/dbraw/zinc/38/74/66/796387466.db2.gz ULYLZHZCPYILIW-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC000119479446 796387472 /nfs/dbraw/zinc/38/74/72/796387472.db2.gz ULYLZHZCPYILIW-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO COCCn1cc(CN2CCC(C3CC[NH+](C)CC3)CC2)cn1 ZINC001139782829 796427584 /nfs/dbraw/zinc/42/75/84/796427584.db2.gz UKHJSMOVJSGDFS-UHFFFAOYSA-N 1 3 320.481 2.083 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)cc2C)C1 ZINC001187323022 796517536 /nfs/dbraw/zinc/51/75/36/796517536.db2.gz UPSWJXVGYKERIQ-QGZVFWFLSA-N 1 3 321.440 2.166 20 0 DEADHO CC(C)NC(=O)c1ccc(C[NH+]2CCC3(CN(C)C3)CC2)cc1 ZINC001140617351 796546241 /nfs/dbraw/zinc/54/62/41/796546241.db2.gz JHZAJAOUGIFRHA-UHFFFAOYSA-N 1 3 315.461 2.352 20 0 DEADHO O=C(CCC[NH+]1CCCCC1)N1CC[C@@H](NC/C=C\Cl)C1 ZINC001187921285 796603365 /nfs/dbraw/zinc/60/33/65/796603365.db2.gz CREDXLQLMFGIOG-GTBONMDNSA-N 1 3 313.873 2.196 20 0 DEADHO CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001188139029 796631012 /nfs/dbraw/zinc/63/10/12/796631012.db2.gz GGXBBSXXTICUMV-SDKBWNRFSA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001188145072 796632694 /nfs/dbraw/zinc/63/26/94/796632694.db2.gz CPZZZIQURRNUIL-IEODJVTJSA-N 1 3 315.461 2.231 20 0 DEADHO Cc1cc(C)cc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001188145976 796632784 /nfs/dbraw/zinc/63/27/84/796632784.db2.gz UFZUJXOLUFVXAZ-GOSISDBHSA-N 1 3 317.477 2.334 20 0 DEADHO CC[C@H](C)C[NH2+]CC1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001205461475 796870525 /nfs/dbraw/zinc/87/05/25/796870525.db2.gz KMTSEDZVQMGBPP-YOEHRIQHSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)N(C)CC(=O)NCC[NH2+]CCCCc1ccccc1 ZINC001152426668 797185367 /nfs/dbraw/zinc/18/53/67/797185367.db2.gz KMXMZQMLPKTBMG-UHFFFAOYSA-N 1 3 305.466 2.055 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(CF)cc1 ZINC001152446053 797188448 /nfs/dbraw/zinc/18/84/48/797188448.db2.gz RZVWSNGLCCNBPO-QGZVFWFLSA-N 1 3 321.440 2.236 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1ccccc1 ZINC001152459100 797190415 /nfs/dbraw/zinc/19/04/15/797190415.db2.gz YQKVQVWPGFONDK-WBVHZDCISA-N 1 3 303.450 2.328 20 0 DEADHO CN(C/C=C\c1ccccc1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192144702 797333796 /nfs/dbraw/zinc/33/37/96/797333796.db2.gz VNNJLHPFOIHJOT-IEODJVTJSA-N 1 3 315.461 2.184 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)CCCC2CCC2)C1 ZINC001193643802 797599865 /nfs/dbraw/zinc/59/98/65/797599865.db2.gz ZPQOHHQINUNMFA-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001193643802 797599869 /nfs/dbraw/zinc/59/98/69/797599869.db2.gz ZPQOHHQINUNMFA-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCN(CC)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccccc1 ZINC001155900496 797876926 /nfs/dbraw/zinc/87/69/26/797876926.db2.gz VUOGLDGYEZWSDN-MRXNPFEDSA-N 1 3 305.466 2.355 20 0 DEADHO CCN(CC)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1 ZINC001155900496 797876934 /nfs/dbraw/zinc/87/69/34/797876934.db2.gz VUOGLDGYEZWSDN-MRXNPFEDSA-N 1 3 305.466 2.355 20 0 DEADHO CC/C=C\CCN1CCCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001197158091 798156423 /nfs/dbraw/zinc/15/64/23/798156423.db2.gz GICJRLQXIODRQT-MBZYTVFJSA-N 1 3 307.482 2.075 20 0 DEADHO CC/C=C\CCN1CCCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001197158091 798156425 /nfs/dbraw/zinc/15/64/25/798156425.db2.gz GICJRLQXIODRQT-MBZYTVFJSA-N 1 3 307.482 2.075 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]CC[C@@H](C)F)CC1 ZINC001203902578 798322977 /nfs/dbraw/zinc/32/29/77/798322977.db2.gz GWUNUMUNCHOWHB-GDBMZVCRSA-N 1 3 313.461 2.190 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]CC[C@H](C)F)CC1 ZINC001203902579 798323623 /nfs/dbraw/zinc/32/36/23/798323623.db2.gz GWUNUMUNCHOWHB-GOEBONIOSA-N 1 3 313.461 2.190 20 0 DEADHO CN1CCC(N(c2cc(C3C[NH2+]C3)ncn2)C2CCCC2)CC1 ZINC001158493736 798415526 /nfs/dbraw/zinc/41/55/26/798415526.db2.gz ITWCQEBEQWDFDN-UHFFFAOYSA-N 1 3 315.465 2.007 20 0 DEADHO Cc1ccccc1C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159854932 798618578 /nfs/dbraw/zinc/61/85/78/798618578.db2.gz XGSCAWUWMDOLFS-UHFFFAOYSA-N 1 3 303.450 2.075 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159915722 798624628 /nfs/dbraw/zinc/62/46/28/798624628.db2.gz MSHUTHMLWGMGQW-MAUKXSAKSA-N 1 3 317.477 2.492 20 0 DEADHO C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@H](c3ccccc3)N2)CC1 ZINC001160459602 798691328 /nfs/dbraw/zinc/69/13/28/798691328.db2.gz NRCXLRJQLOCDLB-MSOLQXFVSA-N 1 3 315.461 2.328 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+]Cc1ccc2c(c1)CCC2)N(C)C ZINC001160883656 798755157 /nfs/dbraw/zinc/75/51/57/798755157.db2.gz RNPFRNXUNTULSZ-GOSISDBHSA-N 1 3 317.477 2.111 20 0 DEADHO CC(C)[NH2+]CC(=O)N(C)[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001160958071 798771221 /nfs/dbraw/zinc/77/12/21/798771221.db2.gz UTZKNZFSHRQJQQ-WMZOPIPTSA-N 1 3 317.477 2.353 20 0 DEADHO COC(=O)[C@H]1CCCN(C2CC[NH+](CCCSC)CC2)C1 ZINC001201697635 798787443 /nfs/dbraw/zinc/78/74/43/798787443.db2.gz LFKAYKSRCVNXKF-AWEZNQCLSA-N 1 3 314.495 2.089 20 0 DEADHO CN(C(=O)[C@H](N)C12CC3CC(CC(C3)C1)C2)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161061564 798789436 /nfs/dbraw/zinc/78/94/36/798789436.db2.gz HEVRRVIZSHXERP-ZZVUGRGMSA-N 1 3 319.493 2.258 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001161226299 798813002 /nfs/dbraw/zinc/81/30/02/798813002.db2.gz BTTUYNFAQREPNS-OAGGEKHMSA-N 1 3 309.498 2.249 20 0 DEADHO c1c2c(nnc1NCC1CC[NH+](CC3CCC3)CC1)CCNC2 ZINC001161234106 798814819 /nfs/dbraw/zinc/81/48/19/798814819.db2.gz NAXUZSVLFPDWHI-UHFFFAOYSA-N 1 3 315.465 2.046 20 0 DEADHO CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)CN(CC)CC)C2 ZINC001110617048 798922922 /nfs/dbraw/zinc/92/29/22/798922922.db2.gz ZWAHUYJJWXEASG-FPCVCCKLSA-N 1 3 313.461 2.188 20 0 DEADHO CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)CN(CC)CC)C2 ZINC001110617048 798922925 /nfs/dbraw/zinc/92/29/25/798922925.db2.gz ZWAHUYJJWXEASG-FPCVCCKLSA-N 1 3 313.461 2.188 20 0 DEADHO CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001161785367 798935825 /nfs/dbraw/zinc/93/58/25/798935825.db2.gz OIUUCSDYAPEXLG-AWEZNQCLSA-N 1 3 318.465 2.445 20 0 DEADHO CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001161785367 798935829 /nfs/dbraw/zinc/93/58/29/798935829.db2.gz OIUUCSDYAPEXLG-AWEZNQCLSA-N 1 3 318.465 2.445 20 0 DEADHO CCC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)[C@H](C3CC3)N(C)C)[C@@H]2C1 ZINC001114408903 799093054 /nfs/dbraw/zinc/09/30/54/799093054.db2.gz CMAFHPDISXLPCM-MXPUPRTQSA-N 1 3 319.493 2.119 20 0 DEADHO CCC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)[C@H](C3CC3)N(C)C)[C@@H]2C1 ZINC001114408903 799093062 /nfs/dbraw/zinc/09/30/62/799093062.db2.gz CMAFHPDISXLPCM-MXPUPRTQSA-N 1 3 319.493 2.119 20 0 DEADHO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1cncc2cc[nH]c21 ZINC001162733292 799161092 /nfs/dbraw/zinc/16/10/92/799161092.db2.gz KVTXZODZLAZGEE-AWEZNQCLSA-N 1 3 304.394 2.106 20 0 DEADHO C[C@H](F)CC[NH2+]C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001202539119 799162119 /nfs/dbraw/zinc/16/21/19/799162119.db2.gz JPGVGDJHYJXWMV-AWEZNQCLSA-N 1 3 315.477 2.293 20 0 DEADHO CN(CC(=O)N1CCC([NH2+]CC2CCC2)CC1)CC(C)(C)C ZINC001202539185 799163236 /nfs/dbraw/zinc/16/32/36/799163236.db2.gz MDHSTVNIJUYZES-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CCN(CC)Cc1cccc(N[C@H]2COCCC23C[NH2+]C3)c1F ZINC001163081004 799240369 /nfs/dbraw/zinc/24/03/69/799240369.db2.gz JWANKFNBWZWKPA-INIZCTEOSA-N 1 3 321.440 2.458 20 0 DEADHO COCc1cc(OC)ccc1NCC1(N(C)C)CC[NH+](C)CC1 ZINC001164216481 799541563 /nfs/dbraw/zinc/54/15/63/799541563.db2.gz DEHVAOLIOXMSCI-UHFFFAOYSA-N 1 3 321.465 2.280 20 0 DEADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC1)C12CCCN1CCC2 ZINC001095684842 799694364 /nfs/dbraw/zinc/69/43/64/799694364.db2.gz YVSXMJMQGQNFFF-IKGGRYGDSA-N 1 3 317.477 2.136 20 0 DEADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1)C12CCCN1CCC2 ZINC001095684842 799694368 /nfs/dbraw/zinc/69/43/68/799694368.db2.gz YVSXMJMQGQNFFF-IKGGRYGDSA-N 1 3 317.477 2.136 20 0 DEADHO Cc1nc(N(C)C)cc(N2CCCC[C@H]2C2CC[NH2+]CC2)n1 ZINC001165320814 799703500 /nfs/dbraw/zinc/70/35/00/799703500.db2.gz UTYNCHCAVVPPCA-HNNXBMFYSA-N 1 3 303.454 2.210 20 0 DEADHO CCCCC[NH2+]CC1(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001165485346 799736785 /nfs/dbraw/zinc/73/67/85/799736785.db2.gz SOSNDCPMLHDHMP-INIZCTEOSA-N 1 3 309.498 2.393 20 0 DEADHO CC[C@@H](F)C[NH2+]CC1(CCNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001165617001 799752111 /nfs/dbraw/zinc/75/21/11/799752111.db2.gz FZRPOIDOBNVITG-CABCVRRESA-N 1 3 315.477 2.197 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCC1(C[NH2+]C/C=C\Cl)CC1 ZINC001165809474 799777511 /nfs/dbraw/zinc/77/75/11/799777511.db2.gz GFNSQIVKSZBNCX-POHAHGRESA-N 1 3 315.889 2.345 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)CN2CCC[C@H]2C)c(C)c1 ZINC001166626331 799904839 /nfs/dbraw/zinc/90/48/39/799904839.db2.gz DIQRPZODRPBPOD-QGZVFWFLSA-N 1 3 317.477 2.384 20 0 DEADHO C[C@H]([NH2+]CCCNC(=O)CN1CCC[C@H]1C)c1ccccc1F ZINC001166645448 799909520 /nfs/dbraw/zinc/90/95/20/799909520.db2.gz QFELIJXHNBXCRR-CABCVRRESA-N 1 3 321.440 2.467 20 0 DEADHO CN(CC(=O)NCCC[NH2+]CC=C(Cl)Cl)CC(C)(C)C ZINC001166744113 799938527 /nfs/dbraw/zinc/93/85/27/799938527.db2.gz IEOXQLNPVTUIHB-UHFFFAOYSA-N 1 3 324.296 2.379 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)CN2CCC(C)(C)C2)cc1 ZINC001166759463 799942935 /nfs/dbraw/zinc/94/29/35/799942935.db2.gz UUJPNCNFRNMVNY-UHFFFAOYSA-N 1 3 317.477 2.323 20 0 DEADHO CC(C)[C@H](C(=O)NCCC1(C[NH2+]CC[C@H](C)F)CC1)N(C)C ZINC001167035416 800012436 /nfs/dbraw/zinc/01/24/36/800012436.db2.gz HLOYQJJQUQUORB-LSDHHAIUSA-N 1 3 315.477 2.197 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC=C(C)C)C12CCC2 ZINC001203524568 800069340 /nfs/dbraw/zinc/06/93/40/800069340.db2.gz XAMZXFZGHCVSTE-HZPDHXFCSA-N 1 3 307.482 2.311 20 0 DEADHO CC[C@@H](C)C[NH2+]C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001203903823 800144548 /nfs/dbraw/zinc/14/45/48/800144548.db2.gz OQWSBCIORVSCIG-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001203925500 800147027 /nfs/dbraw/zinc/14/70/27/800147027.db2.gz QFXVJWVKHLXXQV-IXDOHACOSA-N 1 3 321.509 2.343 20 0 DEADHO Cc1nn(C)cc1CN1CCC(COCC[NH+]2CCCC2)CC1 ZINC001204576757 800233106 /nfs/dbraw/zinc/23/31/06/800233106.db2.gz SRXVAUJYDSHOAY-UHFFFAOYSA-N 1 3 320.481 2.053 20 0 DEADHO C[C@H]1CN(Cc2c[nH]c3cc(Br)ncc23)C[C@H]1C[NH3+] ZINC001205146620 800305652 /nfs/dbraw/zinc/30/56/52/800305652.db2.gz ZDCDTVPFZPXAQN-VHSXEESVSA-N 1 3 323.238 2.352 20 0 DEADHO c1cc(-c2ccc(N3CC[NH2+]CC3)cc2)cc2c1C1(CNC1)OC2 ZINC001205580702 800380545 /nfs/dbraw/zinc/38/05/45/800380545.db2.gz CTSHEEYUYTUYNK-UHFFFAOYSA-N 1 3 321.424 2.092 20 0 DEADHO CCCCC[NH2+]CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001206273831 800500377 /nfs/dbraw/zinc/50/03/77/800500377.db2.gz AIQIFGWNXPGYTF-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO Cn1c2ccccc2c(CN2CCCC[C@@](C)(C[NH3+])C2)cc1=O ZINC001206556715 800554841 /nfs/dbraw/zinc/55/48/41/800554841.db2.gz VWBVRQSZRSQLFK-IBGZPJMESA-N 1 3 313.445 2.489 20 0 DEADHO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@H+]3CC(C)(C)CN(C)C)O2)n1 ZINC001207280800 800722077 /nfs/dbraw/zinc/72/20/77/800722077.db2.gz WIBWBSZEQPQOOK-RBSFLKMASA-N 1 3 322.453 2.260 20 0 DEADHO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3CC(C)(C)CN(C)C)O2)n1 ZINC001207280800 800722082 /nfs/dbraw/zinc/72/20/82/800722082.db2.gz WIBWBSZEQPQOOK-RBSFLKMASA-N 1 3 322.453 2.260 20 0 DEADHO NC(=O)[C@H]1CCCCN1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207291711 800725137 /nfs/dbraw/zinc/72/51/37/800725137.db2.gz VMLZUVWJMIGBGC-GOSISDBHSA-N 1 3 315.461 2.238 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000935987208 800820462 /nfs/dbraw/zinc/82/04/62/800820462.db2.gz XYJJRGQBGXEVCJ-IRXDYDNUSA-N 1 3 321.440 2.417 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000935987208 800820464 /nfs/dbraw/zinc/82/04/64/800820464.db2.gz XYJJRGQBGXEVCJ-IRXDYDNUSA-N 1 3 321.440 2.417 20 0 DEADHO CN1CCC[C@H](C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)C1 ZINC001208617994 801038088 /nfs/dbraw/zinc/03/80/88/801038088.db2.gz QVSAQSDOIUYSNJ-GXTWGEPZSA-N 1 3 308.388 2.354 20 0 DEADHO CCCCCC[NH+]1CCC(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001229184718 801237094 /nfs/dbraw/zinc/23/70/94/801237094.db2.gz AJFRFGJXJJGEOZ-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CC/C=C/CC[NH+]1CCC(NC(=O)CN2CCC[C@H]2C)CC1 ZINC001229184830 801239015 /nfs/dbraw/zinc/23/90/15/801239015.db2.gz CSIRQXDYFRDKTH-DWTRPJMMSA-N 1 3 307.482 2.408 20 0 DEADHO CC[C@@H](C(=O)NC1CC[NH+](CCCC2CCC2)CC1)N(C)C ZINC001229254112 801248417 /nfs/dbraw/zinc/24/84/17/801248417.db2.gz PSUDCOLCQNVIHN-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO COC(=O)C[C@H](C)N(Cc1ccccc1)Cc1c[nH+]ccc1N ZINC001209736039 801269618 /nfs/dbraw/zinc/26/96/18/801269618.db2.gz CEQNVTOZWKLQOM-AWEZNQCLSA-N 1 3 313.401 2.448 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001209835352 801292579 /nfs/dbraw/zinc/29/25/79/801292579.db2.gz ACQQRPMHLWNQHL-CABCVRRESA-N 1 3 306.454 2.215 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2F)C1 ZINC001210219720 801352092 /nfs/dbraw/zinc/35/20/92/801352092.db2.gz TVVKRYPTSNUJFY-MRXNPFEDSA-N 1 3 321.440 2.248 20 0 DEADHO CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H](NCCF)C1 ZINC001210633595 801436099 /nfs/dbraw/zinc/43/60/99/801436099.db2.gz GBRAEPZKFMZMKZ-MRXNPFEDSA-N 1 3 315.477 2.439 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2csc(C)c2)C1 ZINC001210810636 801467761 /nfs/dbraw/zinc/46/77/61/801467761.db2.gz BNZGRATXVBBSQD-MRXNPFEDSA-N 1 3 323.506 2.479 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001210810867 801468072 /nfs/dbraw/zinc/46/80/72/801468072.db2.gz FXBVZDPRFLPVQJ-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001211268923 801540696 /nfs/dbraw/zinc/54/06/96/801540696.db2.gz MATUMJIEMCUCON-KRWDZBQOSA-N 1 3 307.482 2.408 20 0 DEADHO CSc1ccccc1CN1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001231786013 801729021 /nfs/dbraw/zinc/72/90/21/801729021.db2.gz OTAAGNZRUSBXSE-UHFFFAOYSA-N 1 3 321.490 2.004 20 0 DEADHO CC(=O)N1CCC([N@@H+](C)Cc2cc(F)cc(CN(C)C)c2)CC1 ZINC001232145570 801799499 /nfs/dbraw/zinc/79/94/99/801799499.db2.gz BUNYZTJANMRLMP-UHFFFAOYSA-N 1 3 321.440 2.330 20 0 DEADHO CC(=O)N1CCC([N@H+](C)Cc2cc(F)cc(CN(C)C)c2)CC1 ZINC001232145570 801799503 /nfs/dbraw/zinc/79/95/03/801799503.db2.gz BUNYZTJANMRLMP-UHFFFAOYSA-N 1 3 321.440 2.330 20 0 DEADHO CCCCCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001215539893 801872948 /nfs/dbraw/zinc/87/29/48/801872948.db2.gz BOIDMZTXOLQIRV-GVDBMIGSSA-N 1 3 309.498 2.345 20 0 DEADHO CC/C=C/CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001215536925 801873886 /nfs/dbraw/zinc/87/38/86/801873886.db2.gz ZWVDYRGKHGATDH-OQMFPJLBSA-N 1 3 307.482 2.264 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]CC1CCC1 ZINC001215568846 801877190 /nfs/dbraw/zinc/87/71/90/801877190.db2.gz RKBUTXHWZYSBKW-GDBMZVCRSA-N 1 3 309.498 2.201 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCC2)C1 ZINC001216002289 801925549 /nfs/dbraw/zinc/92/55/49/801925549.db2.gz QPXCCCBNZLJBMD-NVXWUHKLSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1nc2ccc(F)cc2o1 ZINC001218495701 802192170 /nfs/dbraw/zinc/19/21/70/802192170.db2.gz CONCOEQOPRYBBB-LBPRGKRZSA-N 1 3 322.384 2.401 20 0 DEADHO CC(=O)c1ccsc1NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001218639635 802220373 /nfs/dbraw/zinc/22/03/73/802220373.db2.gz FHAKVXMFLFJYDY-ZDUSSCGKSA-N 1 3 311.451 2.385 20 0 DEADHO N[C@@H](C(=O)Nc1cnc2cc(Cl)ccc2c1)C1CC[NH2+]CC1 ZINC001218648964 802221298 /nfs/dbraw/zinc/22/12/98/802221298.db2.gz OPUDHGWUCXPMIV-OAHLLOKOSA-N 1 3 318.808 2.154 20 0 DEADHO N[C@@H](C(=O)Nc1cncc(-c2ccccc2)c1)C1CC[NH2+]CC1 ZINC001218671684 802225400 /nfs/dbraw/zinc/22/54/00/802225400.db2.gz UJFUJQQPCYAPIV-QGZVFWFLSA-N 1 3 310.401 2.014 20 0 DEADHO C[C@H]([NH3+])c1cccc(C(=O)Nc2cc([C@@H]3CCCN3)no2)c1 ZINC001218711978 802229725 /nfs/dbraw/zinc/22/97/25/802229725.db2.gz GEJMBKDXMAGSSH-GWCFXTLKSA-N 1 3 300.362 2.371 20 0 DEADHO N[C@@H](CCC[NH3+])C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1 ZINC001218752704 802236765 /nfs/dbraw/zinc/23/67/65/802236765.db2.gz HINZQKXYIZPBFR-HNNXBMFYSA-N 1 3 323.400 2.006 20 0 DEADHO Cc1[nH]c2c(cccc2NC(=O)[C@@H](N)C2CC[NH2+]CC2)c1C ZINC001219341215 802313585 /nfs/dbraw/zinc/31/35/85/802313585.db2.gz CLDCKENFKXRUIS-HNNXBMFYSA-N 1 3 300.406 2.050 20 0 DEADHO CCCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001234344766 802358055 /nfs/dbraw/zinc/35/80/55/802358055.db2.gz DDZGNPGMZAUXQP-SJORKVTESA-N 1 3 307.482 2.051 20 0 DEADHO Cc1ccc(CCNC(=O)[C@@H](N)CCCC[NH2+]C(C)C)c(C)c1 ZINC001219910013 802390252 /nfs/dbraw/zinc/39/02/52/802390252.db2.gz KUWOSVVBBSOQGP-SFHVURJKSA-N 1 3 319.493 2.458 20 0 DEADHO C[C@H]1C[C@H](NC(=O)[C@@H](N)CCCC[NH+](C)C)c2ccccc21 ZINC001220333278 802444884 /nfs/dbraw/zinc/44/48/84/802444884.db2.gz SULZHLBFUVBLDD-JQFCIGGWSA-N 1 3 303.450 2.410 20 0 DEADHO N[C@H](C(=O)N[C@@H](c1ccccc1)C1CCCC1)C1CC[NH2+]CC1 ZINC001220441093 802460998 /nfs/dbraw/zinc/46/09/98/802460998.db2.gz RBDDVMHRCGCWGN-ROUUACIJSA-N 1 3 315.461 2.361 20 0 DEADHO N[C@@H](CSCC[NH3+])C(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC001220441305 802462140 /nfs/dbraw/zinc/46/21/40/802462140.db2.gz YAKUXZBAWXODGP-JKSUJKDBSA-N 1 3 321.490 2.053 20 0 DEADHO N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220884581 802507709 /nfs/dbraw/zinc/50/77/09/802507709.db2.gz HUKHGIOLZMFBPF-MOPGFXCFSA-N 1 3 323.440 2.092 20 0 DEADHO CN(CC(=O)N1CCSc2ccccc21)C1CCC([NH3+])CC1 ZINC000316889648 802528678 /nfs/dbraw/zinc/52/86/78/802528678.db2.gz WFPCKBDYIMDQSK-UHFFFAOYSA-N 1 3 319.474 2.327 20 0 DEADHO Fc1cccc(CCCN2CCNC[C@@]3(CCCC[NH2+]3)C2)c1 ZINC001222668415 802724619 /nfs/dbraw/zinc/72/46/19/802724619.db2.gz KCQWVXNERILYGR-SFHVURJKSA-N 1 3 305.441 2.176 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C/C=C/Cl)CCC1 ZINC001226765543 803155644 /nfs/dbraw/zinc/15/56/44/803155644.db2.gz DIUUSCNEJBMSGO-GFUGXAQUSA-N 1 3 313.873 2.240 20 0 DEADHO Cc1cccc([C@H](C)[NH2+][C@H](C)CNC(=O)CN(C)C(C)C)c1 ZINC001418319496 1167573038 /nfs/dbraw/zinc/57/30/38/1167573038.db2.gz RNZJQICCKJCILT-CVEARBPZSA-N 1 3 305.466 2.491 20 0 DEADHO CCC(CC)C[N@H+]1C[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001368359936 1148424241 /nfs/dbraw/zinc/42/42/41/1148424241.db2.gz YDCVXXQAULRVNG-CALCHBBNSA-N 1 3 309.498 2.153 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001368359936 1148424245 /nfs/dbraw/zinc/42/42/45/1148424245.db2.gz YDCVXXQAULRVNG-CALCHBBNSA-N 1 3 309.498 2.153 20 0 DEADHO CCn1ccc(CNCC2CC[NH+](Cc3ccncc3)CC2)n1 ZINC001414094493 1150875206 /nfs/dbraw/zinc/87/52/06/1150875206.db2.gz HWLVTADBSSVNBJ-UHFFFAOYSA-N 1 3 313.449 2.300 20 0 DEADHO CCn1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)n1 ZINC001414094493 1150875209 /nfs/dbraw/zinc/87/52/09/1150875209.db2.gz HWLVTADBSSVNBJ-UHFFFAOYSA-N 1 3 313.449 2.300 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN(Cc2ccsc2)C1 ZINC001404105078 1163448617 /nfs/dbraw/zinc/44/86/17/1163448617.db2.gz SBXMMADTRXUGHI-CQSZACIVSA-N 1 3 309.479 2.028 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN(Cc2ccsc2)C1 ZINC001404105078 1163448635 /nfs/dbraw/zinc/44/86/35/1163448635.db2.gz SBXMMADTRXUGHI-CQSZACIVSA-N 1 3 309.479 2.028 20 0 DEADHO CC(C)(C)CC[C@@H](N)C[N@@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC001575130214 1069373682 /nfs/dbraw/zinc/37/36/82/1069373682.db2.gz GYJCOEUTOFDMLM-VQIMIIECSA-N 1 3 317.477 2.269 20 0 DEADHO CC(C)(C)CC[C@@H](N)C[N@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC001575130214 1069373692 /nfs/dbraw/zinc/37/36/92/1069373692.db2.gz GYJCOEUTOFDMLM-VQIMIIECSA-N 1 3 317.477 2.269 20 0 DEADHO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)[C@H](N)CC2CC2)CC1 ZINC001575124500 1069372733 /nfs/dbraw/zinc/37/27/33/1069372733.db2.gz CUJAJDWIZVFYFW-OAHLLOKOSA-N 1 3 309.498 2.473 20 0 DEADHO CC(C)=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001328766468 1148833585 /nfs/dbraw/zinc/83/35/85/1148833585.db2.gz XFGHGAMJWYYYKJ-DLBZAZTESA-N 1 3 309.498 2.462 20 0 DEADHO CC(C)=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001328766468 1148833588 /nfs/dbraw/zinc/83/35/88/1148833588.db2.gz XFGHGAMJWYYYKJ-DLBZAZTESA-N 1 3 309.498 2.462 20 0 DEADHO C[C@@H](NC(=O)CN1CC[C@@H](C)C1)C1C[NH+](CCC2CCCC2)C1 ZINC001369091072 1148846739 /nfs/dbraw/zinc/84/67/39/1148846739.db2.gz LYJOJWVKYIXTMU-HZPDHXFCSA-N 1 3 321.509 2.345 20 0 DEADHO Cn1nnc2cc(CN[C@@H](CC[NH+](C)C)C(C)(C)C)ccc21 ZINC001461194307 1058608167 /nfs/dbraw/zinc/60/81/67/1058608167.db2.gz PJULEYVPUUUMBM-INIZCTEOSA-N 1 3 303.454 2.424 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001501171969 1059347974 /nfs/dbraw/zinc/34/79/74/1059347974.db2.gz LCXGBUVRVWXXDA-BJWYYQGGSA-N 1 3 307.482 2.097 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001501171969 1059347994 /nfs/dbraw/zinc/34/79/94/1059347994.db2.gz LCXGBUVRVWXXDA-BJWYYQGGSA-N 1 3 307.482 2.097 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2ccsc2)C1 ZINC001501548011 1059540005 /nfs/dbraw/zinc/54/00/05/1059540005.db2.gz ONRDPRQSVVTFBA-ZBFHGGJFSA-N 1 3 321.490 2.171 20 0 DEADHO CC(C)CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001501604864 1059568562 /nfs/dbraw/zinc/56/85/62/1059568562.db2.gz ZPUPNZFFXMHRDE-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001501640860 1059597925 /nfs/dbraw/zinc/59/79/25/1059597925.db2.gz LDXGXOJEVLVYCV-IAGOWNOFSA-N 1 3 309.498 2.367 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]CC[C@@H](C)F)CCC1 ZINC001501950534 1059800356 /nfs/dbraw/zinc/80/03/56/1059800356.db2.gz KTOMKMZHSFATQG-HUUCEWRRSA-N 1 3 313.461 2.236 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCN(C)[C@@H]1C)CC(C)C ZINC001477435375 1061170204 /nfs/dbraw/zinc/17/02/04/1061170204.db2.gz DFDLFRBPELOMRA-PMPSAXMXSA-N 1 3 312.502 2.135 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1C[C@@H]([NH2+]CC2CC(C)C2)C1)N(C)C ZINC001479408661 1061445414 /nfs/dbraw/zinc/44/54/14/1061445414.db2.gz LICXLKVODKJKJJ-SWHNLWLKSA-N 1 3 309.498 2.103 20 0 DEADHO CC(C)[C@@H](CCN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CC1CCC1 ZINC001506159135 1061693680 /nfs/dbraw/zinc/69/36/80/1061693680.db2.gz NLWNJJGRLISOGL-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO Cc1cc(C[N@@H+](C)CCCNC(=O)CN(C)C2CCC2)cs1 ZINC001479775773 1061737178 /nfs/dbraw/zinc/73/71/78/1061737178.db2.gz FIICSULAIZXONA-UHFFFAOYSA-N 1 3 323.506 2.479 20 0 DEADHO Cc1cc(C[N@H+](C)CCCNC(=O)CN(C)C2CCC2)cs1 ZINC001479775773 1061737199 /nfs/dbraw/zinc/73/71/99/1061737199.db2.gz FIICSULAIZXONA-UHFFFAOYSA-N 1 3 323.506 2.479 20 0 DEADHO CC(C)=CCN1CC([C@@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001506677085 1062270587 /nfs/dbraw/zinc/27/05/87/1062270587.db2.gz DJAVEYTUHKRPPK-MRXNPFEDSA-N 1 3 307.482 2.265 20 0 DEADHO CN(CC(=O)N1C[C@@H]([NH2+]CC2CC2)C(C)(C)C1)CC(C)(C)C ZINC001507446194 1063295794 /nfs/dbraw/zinc/29/57/94/1063295794.db2.gz QEMDVIOBRQALCD-OAHLLOKOSA-N 1 3 309.498 2.201 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC001480804779 1063367710 /nfs/dbraw/zinc/36/77/10/1063367710.db2.gz HDICCOIGHXNRIJ-GFCCVEGCSA-N 1 3 318.396 2.084 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C1CC[NH+](CC[C@@H](C)F)CC1)N(C)C ZINC001508062621 1063528836 /nfs/dbraw/zinc/52/88/36/1063528836.db2.gz HBQVHKHJGXTTQY-IIAWOOMASA-N 1 3 315.477 2.291 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]CCCC2CCC2)C1 ZINC001508153745 1063581326 /nfs/dbraw/zinc/58/13/26/1063581326.db2.gz AFTRHWJLWICNJB-UHFFFAOYSA-N 1 3 309.498 2.486 20 0 DEADHO C[NH2+]CCOCCN(C)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC001329148941 1148869244 /nfs/dbraw/zinc/86/92/44/1148869244.db2.gz MRNMQKKXDNVGRD-UHFFFAOYSA-N 1 3 322.840 2.398 20 0 DEADHO Cc1cc(CN2CCC[C@H]2CNC(=O)CCC[NH+](C)C)cs1 ZINC001493128652 1063594567 /nfs/dbraw/zinc/59/45/67/1063594567.db2.gz NWNMUBDGXZFCTA-INIZCTEOSA-N 1 3 323.506 2.479 20 0 DEADHO CC(C)=CCN(CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001493370094 1063751642 /nfs/dbraw/zinc/75/16/42/1063751642.db2.gz DDGCMSZGTVJXDC-KRWDZBQOSA-N 1 3 307.482 2.406 20 0 DEADHO CC(C)=CCN(CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001493370094 1063751656 /nfs/dbraw/zinc/75/16/56/1063751656.db2.gz DDGCMSZGTVJXDC-KRWDZBQOSA-N 1 3 307.482 2.406 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001493699127 1063923874 /nfs/dbraw/zinc/92/38/74/1063923874.db2.gz KRCXJMYZWMFLTI-INIZCTEOSA-N 1 3 309.429 2.022 20 0 DEADHO Cc1ccc(C[NH2+]CCN(C)C(=O)CN(C)C(C)C)cc1F ZINC001567611302 1064280000 /nfs/dbraw/zinc/28/00/00/1064280000.db2.gz BGQUCQPJBKVXKR-UHFFFAOYSA-N 1 3 309.429 2.022 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]CCCF)C1)N(C)C ZINC001568060640 1064624797 /nfs/dbraw/zinc/62/47/97/1064624797.db2.gz QOSJFWRNWXPMDA-HOTGVXAUSA-N 1 3 315.477 2.151 20 0 DEADHO CC(C)CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001568081165 1064636110 /nfs/dbraw/zinc/63/61/10/1064636110.db2.gz UMFGFGDLLXUFAW-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO CCCCC[NH2+]CC1(NC(=O)Cc2nc[nH]c2C)CCCC1 ZINC001495204904 1064761124 /nfs/dbraw/zinc/76/11/24/1064761124.db2.gz LGBMYCXJEHRDTD-UHFFFAOYSA-N 1 3 306.454 2.469 20 0 DEADHO Cc1ccc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCCN2C)c(C)c1 ZINC001568899390 1065178370 /nfs/dbraw/zinc/17/83/70/1065178370.db2.gz YHIMYSDUKVLDMU-PYTPGESOSA-N 1 3 315.461 2.160 20 0 DEADHO Cc1cccc(C)c1C[NH2+]C/C=C\CNC(=O)CN1CCCC1 ZINC001568963810 1065215456 /nfs/dbraw/zinc/21/54/56/1065215456.db2.gz IYVJDRQUUZBGJV-ARJAWSKDSA-N 1 3 315.461 2.161 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CN2CCCC2)cc1F ZINC001496229963 1065352602 /nfs/dbraw/zinc/35/26/02/1065352602.db2.gz OBEVNQUWXUBVTR-OAHLLOKOSA-N 1 3 321.440 2.166 20 0 DEADHO CCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001569478678 1065531634 /nfs/dbraw/zinc/53/16/34/1065531634.db2.gz MGWOZAXNQDFFCM-IEBWSBKVSA-N 1 3 321.509 2.443 20 0 DEADHO CCCCC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001569478678 1065531651 /nfs/dbraw/zinc/53/16/51/1065531651.db2.gz MGWOZAXNQDFFCM-IEBWSBKVSA-N 1 3 321.509 2.443 20 0 DEADHO CC(C)[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]C/C=C\Cl ZINC001496570161 1065567971 /nfs/dbraw/zinc/56/79/71/1065567971.db2.gz NIUGZXWXRRZWHU-BYTACQFHSA-N 1 3 303.878 2.056 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC2CCCC2)C1 ZINC001496869249 1065766660 /nfs/dbraw/zinc/76/66/60/1065766660.db2.gz PJQFJSYVQHENED-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC2CCCC2)C1 ZINC001496869249 1065766676 /nfs/dbraw/zinc/76/66/76/1065766676.db2.gz PJQFJSYVQHENED-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]CC[C@H](C)NC(=O)CN(C)C(C)C ZINC001497330346 1066031891 /nfs/dbraw/zinc/03/18/91/1066031891.db2.gz GXKKEDOQIOEUQK-HNNXBMFYSA-N 1 3 323.456 2.459 20 0 DEADHO CCN(CCNC/C=C\Cl)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001497463901 1066106717 /nfs/dbraw/zinc/10/67/17/1066106717.db2.gz JFKLOGDTDATYNU-VIHMKRCTSA-N 1 3 315.889 2.440 20 0 DEADHO CCN(CCNC/C=C\Cl)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001497463901 1066106722 /nfs/dbraw/zinc/10/67/22/1066106722.db2.gz JFKLOGDTDATYNU-VIHMKRCTSA-N 1 3 315.889 2.440 20 0 DEADHO CC(C)[C@H](C(=O)NC/C=C\CNCc1ccc(F)cc1)[NH+](C)C ZINC001497671524 1066224114 /nfs/dbraw/zinc/22/41/14/1066224114.db2.gz MHWDYNGORVPACZ-KEGWNNHHSA-N 1 3 321.440 2.174 20 0 DEADHO CC(C)[N@H+](CCc1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC001575690686 1066402857 /nfs/dbraw/zinc/40/28/57/1066402857.db2.gz YVQTUTKOBNKBEE-SFHVURJKSA-N 1 3 317.477 2.137 20 0 DEADHO CC(C)[N@@H+](CCc1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC001575690686 1066402861 /nfs/dbraw/zinc/40/28/61/1066402861.db2.gz YVQTUTKOBNKBEE-SFHVURJKSA-N 1 3 317.477 2.137 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001498197669 1066552189 /nfs/dbraw/zinc/55/21/89/1066552189.db2.gz UMXDRMVAWMPYSD-HNNXBMFYSA-N 1 3 317.477 2.110 20 0 DEADHO CC1(C)[C@@H]2NCCC[C@H]2[C@@H]1[NH2+]C1CCN(c2ccccn2)CC1 ZINC001576383298 1066583723 /nfs/dbraw/zinc/58/37/23/1066583723.db2.gz IEMDFBMMQISHFW-NXHRZFHOSA-N 1 3 314.477 2.417 20 0 DEADHO CC1(C)CCN(CCNC(=O)[C@@H]2[NH2+]CC[C@H]3CCCC[C@H]32)C1 ZINC001576439420 1066606919 /nfs/dbraw/zinc/60/69/19/1066606919.db2.gz ASDVHEHRFLJBLG-BZUAXINKSA-N 1 3 307.482 2.003 20 0 DEADHO C[C@H]1C[C@@H](CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)CC[NH2+]1 ZINC001576599936 1066643710 /nfs/dbraw/zinc/64/37/10/1066643710.db2.gz YTLQOXDOXJIPSL-KKUMJFAQSA-N 1 3 311.470 2.316 20 0 DEADHO CN(C)C1(C(=O)N(C)CCC[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CCC1 ZINC001498560888 1066778907 /nfs/dbraw/zinc/77/89/07/1066778907.db2.gz VXADHYMZTPTWRA-IXDOHACOSA-N 1 3 321.509 2.345 20 0 DEADHO Cc1ccccc1C[NH2+]CCCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001498614093 1066802891 /nfs/dbraw/zinc/80/28/91/1066802891.db2.gz WALZDAHXDOLKJH-INIZCTEOSA-N 1 3 317.477 2.275 20 0 DEADHO CCCSC[C@H](C)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC001577597123 1066880460 /nfs/dbraw/zinc/88/04/60/1066880460.db2.gz RACZOVSYFFKHQD-ZDUSSCGKSA-N 1 3 319.478 2.347 20 0 DEADHO CC[NH2+][C@H](C)CN[C@@H]1CC[C@H](C(=O)OCC)[C@@H](C(F)(F)F)C1 ZINC001577887106 1066942478 /nfs/dbraw/zinc/94/24/78/1066942478.db2.gz JHJJKPXXMSNCKO-NDBYEHHHSA-N 1 3 324.387 2.484 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC001578410022 1067090609 /nfs/dbraw/zinc/09/06/09/1067090609.db2.gz BTNNCJAJODMEAA-LZLYRXPVSA-N 1 3 315.461 2.110 20 0 DEADHO C[C@H](C[N@H+](C)CCc1ccccc1)NC(=O)CN1CC[C@@H](C)C1 ZINC001483384592 1078497134 /nfs/dbraw/zinc/49/71/34/1078497134.db2.gz QIPWYNFWWTYBHJ-IAGOWNOFSA-N 1 3 317.477 2.007 20 0 DEADHO C[C@H](C[N@@H+](C)CCc1ccccc1)NC(=O)CN1CC[C@@H](C)C1 ZINC001483384592 1078497135 /nfs/dbraw/zinc/49/71/35/1078497135.db2.gz QIPWYNFWWTYBHJ-IAGOWNOFSA-N 1 3 317.477 2.007 20 0 DEADHO C[C@@H](NC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC001579410075 1067331431 /nfs/dbraw/zinc/33/14/31/1067331431.db2.gz BGFKSFAYXIGXNL-BPQIPLTHSA-N 1 3 315.461 2.185 20 0 DEADHO CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C)C1 ZINC001499849081 1067360603 /nfs/dbraw/zinc/36/06/03/1067360603.db2.gz RLTQVSIIMDNPMP-DPOFCPOHSA-N 1 3 304.438 2.278 20 0 DEADHO Cc1cccc(CN(CCN(C)C)C(=O)CC[NH2+]C(C)C)c1 ZINC001579761709 1067418137 /nfs/dbraw/zinc/41/81/37/1067418137.db2.gz RMHQIQJBBFZITM-UHFFFAOYSA-N 1 3 305.466 2.273 20 0 DEADHO [NH3+][C@H](CNCCc1cc(Cl)c2c(c1)OCCO2)CC(F)F ZINC001580133198 1067505667 /nfs/dbraw/zinc/50/56/67/1067505667.db2.gz UNQPJORUEFMOSB-JTQLQIEISA-N 1 3 320.767 2.226 20 0 DEADHO [NH3+][C@H]1C[C@@H](NCCc2cnc3ccccc3c2)C12CCOCC2 ZINC001580162645 1067513292 /nfs/dbraw/zinc/51/32/92/1067513292.db2.gz CONWBCCSYPEQHD-ZWKOTPCHSA-N 1 3 311.429 2.263 20 0 DEADHO N[C@@H]1CCCCC[N@H+](C[C@H](O)CC[C@H](O)c2ccccc2)C1 ZINC001580184664 1067520012 /nfs/dbraw/zinc/52/00/12/1067520012.db2.gz YKMWFMHOAXEILH-KURKYZTESA-N 1 3 306.450 2.064 20 0 DEADHO N[C@@H]1CCCCC[N@@H+](C[C@H](O)CC[C@H](O)c2ccccc2)C1 ZINC001580184664 1067520016 /nfs/dbraw/zinc/52/00/16/1067520016.db2.gz YKMWFMHOAXEILH-KURKYZTESA-N 1 3 306.450 2.064 20 0 DEADHO NC[C@@]12C[N@H+](CCC(=O)Nc3ccccc3)C[C@@H]1CCCC2 ZINC001580255600 1067542796 /nfs/dbraw/zinc/54/27/96/1067542796.db2.gz KQIIBRWGXZIBFU-YJBOKZPZSA-N 1 3 301.434 2.466 20 0 DEADHO NC[C@@]12C[N@@H+](CCC(=O)Nc3ccccc3)C[C@@H]1CCCC2 ZINC001580255600 1067542805 /nfs/dbraw/zinc/54/28/05/1067542805.db2.gz KQIIBRWGXZIBFU-YJBOKZPZSA-N 1 3 301.434 2.466 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C[NH2+]CC1CCCCC1)C1CC1)N(C)C ZINC001483603415 1078620571 /nfs/dbraw/zinc/62/05/71/1078620571.db2.gz ZKIKRRCQZXZWRI-DLBZAZTESA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@@H]1CCCCN1C ZINC001519752865 1069069979 /nfs/dbraw/zinc/06/99/79/1069069979.db2.gz LXJUFVMBMXVJRZ-HOTGVXAUSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)NC[C@@H]1CCCCN1C ZINC001519752865 1069069984 /nfs/dbraw/zinc/06/99/84/1069069984.db2.gz LXJUFVMBMXVJRZ-HOTGVXAUSA-N 1 3 310.486 2.034 20 0 DEADHO CC[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@@H+]3C2)[C@@H](CC)CN1 ZINC001573718619 1069078948 /nfs/dbraw/zinc/07/89/48/1069078948.db2.gz LOPRUNGWBWRFPS-JZAWBGDQSA-N 1 3 307.482 2.096 20 0 DEADHO CC[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@H+]3C2)[C@@H](CC)CN1 ZINC001573718619 1069078949 /nfs/dbraw/zinc/07/89/49/1069078949.db2.gz LOPRUNGWBWRFPS-JZAWBGDQSA-N 1 3 307.482 2.096 20 0 DEADHO CCN1CCN(c2cccc(NC(=O)[C@@H]([NH3+])CC(C)C)c2)CC1 ZINC001573778495 1069101593 /nfs/dbraw/zinc/10/15/93/1069101593.db2.gz XYODWYSLAXAIEZ-KRWDZBQOSA-N 1 3 318.465 2.140 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[NH2+]C[C@@H]1CCCC(F)(F)C1)N(C)C ZINC001267456933 1078865106 /nfs/dbraw/zinc/86/51/06/1078865106.db2.gz OEGZUEMBIAWPJY-KGLIPLIRSA-N 1 3 319.440 2.200 20 0 DEADHO CC[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)[C@H]2c1ccccc1 ZINC001272438154 1078877334 /nfs/dbraw/zinc/87/73/34/1078877334.db2.gz XGWJDKPWIGEQRL-KRWDZBQOSA-N 1 3 315.461 2.234 20 0 DEADHO CC(C)=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001272465813 1078899247 /nfs/dbraw/zinc/89/92/47/1078899247.db2.gz LDXGXOJEVLVYCV-SJORKVTESA-N 1 3 309.498 2.367 20 0 DEADHO CCCN1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001645535785 1078911550 /nfs/dbraw/zinc/91/15/50/1078911550.db2.gz XDAWAVLOGDHOBP-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC001645535785 1078911555 /nfs/dbraw/zinc/91/15/55/1078911555.db2.gz XDAWAVLOGDHOBP-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)CCN1CC[C@]2(CCC[N@H+](CC3CCCC3)CC2)C1=O ZINC001272500117 1078929526 /nfs/dbraw/zinc/92/95/26/1078929526.db2.gz RLBVUAKYZFTRJX-LJQANCHMSA-N 1 3 321.509 2.443 20 0 DEADHO CN(C)CCN1CC[C@]2(CCC[N@@H+](CC3CCCC3)CC2)C1=O ZINC001272500117 1078929534 /nfs/dbraw/zinc/92/95/34/1078929534.db2.gz RLBVUAKYZFTRJX-LJQANCHMSA-N 1 3 321.509 2.443 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CCCCC2)C1 ZINC001272523671 1078948393 /nfs/dbraw/zinc/94/83/93/1078948393.db2.gz JYRQUKQXLCEXPN-QZTJIDSGSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)N(CCF)CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001267511945 1078941341 /nfs/dbraw/zinc/94/13/41/1078941341.db2.gz ZLTCBGJYJFWZKM-JKSUJKDBSA-N 1 3 315.477 2.293 20 0 DEADHO F[C@@H]1C[C@@H](CN[C@@H]2CCC[NH2+]CC2)N(Cc2cccs2)C1 ZINC001548919726 1072938957 /nfs/dbraw/zinc/93/89/57/1072938957.db2.gz FMWNHEWHTVWOSI-KFWWJZLASA-N 1 3 311.470 2.392 20 0 DEADHO CCn1cc([C@@H]2OCCC[C@@H]2C[NH2+][C@H]2CCN[C@@H](C)C2)cn1 ZINC001549338483 1073131263 /nfs/dbraw/zinc/13/12/63/1073131263.db2.gz RDFBMCACNKFGKL-HDEZJCGLSA-N 1 3 306.454 2.101 20 0 DEADHO N[C@H](CC1CC1)C(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC001550194452 1073487422 /nfs/dbraw/zinc/48/74/22/1073487422.db2.gz LVTWOTGIZOQUOC-BHYGNILZSA-N 1 3 307.482 2.260 20 0 DEADHO N[C@@H](CC1CCCCC1)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001550233125 1073524105 /nfs/dbraw/zinc/52/41/05/1073524105.db2.gz JKKBYGXOOITQKJ-WMZOPIPTSA-N 1 3 307.482 2.276 20 0 DEADHO C[C@H](NC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1)c1ccc(F)cc1 ZINC001483790126 1079122849 /nfs/dbraw/zinc/12/28/49/1079122849.db2.gz BZLSGSVXAWROJW-ZFWWWQNUSA-N 1 3 319.424 2.077 20 0 DEADHO C[C@H](NC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1)c1ccc(F)cc1 ZINC001483790126 1079122851 /nfs/dbraw/zinc/12/28/51/1079122851.db2.gz BZLSGSVXAWROJW-ZFWWWQNUSA-N 1 3 319.424 2.077 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](N[C@@H](C)c3c[nH]nc3C)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550356484 1073612764 /nfs/dbraw/zinc/61/27/64/1073612764.db2.gz WCYQVHSUBQBETQ-TUWRNDLFSA-N 1 3 320.481 2.239 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](N[C@@H](C)c3c[nH]nc3C)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550356484 1073612768 /nfs/dbraw/zinc/61/27/68/1073612768.db2.gz WCYQVHSUBQBETQ-TUWRNDLFSA-N 1 3 320.481 2.239 20 0 DEADHO Cc1cc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@@H]2O)c(C)o1 ZINC001550422144 1073646684 /nfs/dbraw/zinc/64/66/84/1073646684.db2.gz NPGJCLIKOWFSQW-XDNAFOTISA-N 1 3 306.450 2.466 20 0 DEADHO Cc1cc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@@H]2O)c(C)o1 ZINC001550422144 1073646687 /nfs/dbraw/zinc/64/66/87/1073646687.db2.gz NPGJCLIKOWFSQW-XDNAFOTISA-N 1 3 306.450 2.466 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CCC1)N1CCCC1 ZINC001481072108 1079149840 /nfs/dbraw/zinc/14/98/40/1079149840.db2.gz VTSZTGPOOWJENT-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CCC1)N1CCCC1 ZINC001481072108 1079149844 /nfs/dbraw/zinc/14/98/44/1079149844.db2.gz VTSZTGPOOWJENT-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1cc(F)ncc1CN[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@@H]1O ZINC001550663246 1073782172 /nfs/dbraw/zinc/78/21/72/1073782172.db2.gz FQIXPNSQAPJCKW-FZCLSBEQSA-N 1 3 321.440 2.098 20 0 DEADHO Cc1cc(F)ncc1CN[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@@H]1O ZINC001550663246 1073782174 /nfs/dbraw/zinc/78/21/74/1073782174.db2.gz FQIXPNSQAPJCKW-FZCLSBEQSA-N 1 3 321.440 2.098 20 0 DEADHO CCC(CC)C[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001481097798 1079181313 /nfs/dbraw/zinc/18/13/13/1079181313.db2.gz LZWNDEOUJYEFDM-SJORKVTESA-N 1 3 311.514 2.447 20 0 DEADHO CCC(CC)C[N@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001481097798 1079181314 /nfs/dbraw/zinc/18/13/14/1079181314.db2.gz LZWNDEOUJYEFDM-SJORKVTESA-N 1 3 311.514 2.447 20 0 DEADHO CN(C(=O)NC1CCC(C)([NH+]2CCCC2)CC1)[C@H]1CCN(C)C1 ZINC001550937817 1073967008 /nfs/dbraw/zinc/96/70/08/1073967008.db2.gz XBPIWDVKAYTXMH-PQUAAJSLSA-N 1 3 322.497 2.129 20 0 DEADHO COc1nccc(CN2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c1F ZINC001551262321 1074139061 /nfs/dbraw/zinc/13/90/61/1074139061.db2.gz ROIUBDVNPWEXEX-QEJZJMRPSA-N 1 3 307.413 2.391 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(Cc3cc4n(n3)CCCC4)C[C@@H]2C1 ZINC001551263978 1074140433 /nfs/dbraw/zinc/14/04/33/1074140433.db2.gz ZYUYQGVAVSJKDL-HLLBOEOZSA-N 1 3 302.466 2.382 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001551425171 1074213709 /nfs/dbraw/zinc/21/37/09/1074213709.db2.gz LKVNNQKLIXRAMF-NNXHMXCWSA-N 1 3 307.482 2.048 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NC2CCC3(C[C@@H]3[NH3+])CC2)CC1 ZINC001551550095 1074261473 /nfs/dbraw/zinc/26/14/73/1074261473.db2.gz LMRNAQWMPWBWIQ-CSLYMUCUSA-N 1 3 322.497 2.162 20 0 DEADHO C[N@@H+]1CC[C@@H](CNC[C@H](O)c2ccc(Br)cc2)C1 ZINC001646515523 1074468119 /nfs/dbraw/zinc/46/81/19/1074468119.db2.gz WFPMAMMEDSXSHJ-FZMZJTMJSA-N 1 3 313.239 2.024 20 0 DEADHO C[N@H+]1CC[C@@H](CNC[C@H](O)c2ccc(Br)cc2)C1 ZINC001646515523 1074468121 /nfs/dbraw/zinc/46/81/21/1074468121.db2.gz WFPMAMMEDSXSHJ-FZMZJTMJSA-N 1 3 313.239 2.024 20 0 DEADHO C[NH+](C)[C@@H]1C[C@H](NC[C@@H](O)CC[C@@H](O)c2ccccc2)C1(C)C ZINC001646531859 1074473051 /nfs/dbraw/zinc/47/30/51/1074473051.db2.gz AMBLIHAMFVQAAG-XWTMOSNGSA-N 1 3 320.477 2.179 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC001646617545 1074503243 /nfs/dbraw/zinc/50/32/43/1074503243.db2.gz CUJNQKOWMRZYIA-SJORKVTESA-N 1 3 303.450 2.280 20 0 DEADHO CC(C)[C@@H]1CN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CCN1 ZINC001552426201 1074575166 /nfs/dbraw/zinc/57/51/66/1074575166.db2.gz QQRJHQCEQFJZNG-AEFFLSMTSA-N 1 3 315.461 2.135 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N1CCCC2(CC[NH2+]CC2)C1 ZINC001552426377 1074575311 /nfs/dbraw/zinc/57/53/11/1074575311.db2.gz XPSZHKNITULMHG-KRWDZBQOSA-N 1 3 313.445 2.213 20 0 DEADHO c1cc2c(c(-c3nc([C@H]4CN5CCC4CC5)no3)c1)CC[NH2+]C2 ZINC001552468275 1074582120 /nfs/dbraw/zinc/58/21/20/1074582120.db2.gz DSSYIKWDNPKPHZ-INIZCTEOSA-N 1 3 310.401 2.192 20 0 DEADHO CC(C)=CC[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)C2CCC2)C1 ZINC001484098681 1079301568 /nfs/dbraw/zinc/30/15/68/1079301568.db2.gz YBKKVLAPIASLHL-GOSISDBHSA-N 1 3 307.482 2.265 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@]23CCC[C@@H]2[NH2+]CC3)N(C)C)cc1 ZINC001552832697 1074672173 /nfs/dbraw/zinc/67/21/73/1074672173.db2.gz XDYGAQWJGYPLEO-JENIJYKNSA-N 1 3 315.461 2.246 20 0 DEADHO Fc1ccc(O[C@@H]2CCN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C2)cc1 ZINC001553304662 1074835001 /nfs/dbraw/zinc/83/50/01/1074835001.db2.gz JKLNTSFIEXXGKU-KURKYZTESA-N 1 3 320.408 2.047 20 0 DEADHO C[NH2+][C@H](C)CCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC001647229443 1074850238 /nfs/dbraw/zinc/85/02/38/1074850238.db2.gz OEUWRGYPSYVRTI-ZIAGYGMSSA-N 1 3 324.494 2.182 20 0 DEADHO C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCCC2(CC[NH2+]CC2)C1 ZINC001647244210 1074855556 /nfs/dbraw/zinc/85/55/56/1074855556.db2.gz RJZQVSALXQEQFB-HZPDHXFCSA-N 1 3 307.482 2.242 20 0 DEADHO CN(CCc1ccc(F)cc1)CC[N@H+](C)C1CCN(C)CC1 ZINC001647477634 1074937075 /nfs/dbraw/zinc/93/70/75/1074937075.db2.gz XJDIOUFMAGFWFU-UHFFFAOYSA-N 1 3 307.457 2.326 20 0 DEADHO CN(CCc1ccc(F)cc1)CC[N@@H+](C)C1CCN(C)CC1 ZINC001647477634 1074937076 /nfs/dbraw/zinc/93/70/76/1074937076.db2.gz XJDIOUFMAGFWFU-UHFFFAOYSA-N 1 3 307.457 2.326 20 0 DEADHO C[C@@H](F)CC[NH2+]C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001566896057 1075005772 /nfs/dbraw/zinc/00/57/72/1075005772.db2.gz VGNPPMAZSIHISD-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO CN(CCCNC(=O)CC1CC[NH+](C)CC1)CCC(F)(F)F ZINC001566497845 1075262020 /nfs/dbraw/zinc/26/20/20/1075262020.db2.gz JMLCYZMTMXOYPA-UHFFFAOYSA-N 1 3 323.403 2.109 20 0 DEADHO CN(C)[C@@H]1CCC[N@H+](C[C@H](O)CC[C@@H](O)c2ccccc2)CC1 ZINC001650057193 1079383850 /nfs/dbraw/zinc/38/38/50/1079383850.db2.gz CCQKPNYVBTZEDI-GUDVDZBRSA-N 1 3 320.477 2.277 20 0 DEADHO CN(C)[C@@H]1CCC[N@@H+](C[C@H](O)CC[C@@H](O)c2ccccc2)CC1 ZINC001650057193 1079383856 /nfs/dbraw/zinc/38/38/56/1079383856.db2.gz CCQKPNYVBTZEDI-GUDVDZBRSA-N 1 3 320.477 2.277 20 0 DEADHO COc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cn1 ZINC001650147474 1079422584 /nfs/dbraw/zinc/42/25/84/1079422584.db2.gz QUMWLCYPEZAPTP-ZXFUBFMLSA-N 1 3 301.434 2.380 20 0 DEADHO COc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cn1 ZINC001650147474 1079422585 /nfs/dbraw/zinc/42/25/85/1079422585.db2.gz QUMWLCYPEZAPTP-ZXFUBFMLSA-N 1 3 301.434 2.380 20 0 DEADHO CN1CC[C@H](C[NH2+]C[C@@H](O)c2ccccc2Br)C1 ZINC001650160034 1079428101 /nfs/dbraw/zinc/42/81/01/1079428101.db2.gz YCIZMKRWUBZSQB-BXUZGUMPSA-N 1 3 313.239 2.024 20 0 DEADHO [NH3+]C[C@H]1CC[C@H](CN2CCc3nc(C4CC4)ncc3C2)CC1 ZINC001580331166 1075903454 /nfs/dbraw/zinc/90/34/54/1075903454.db2.gz FMGQDDILBAKGDL-HDJSIYSDSA-N 1 3 300.450 2.477 20 0 DEADHO Cc1cc(-c2nnn[n-]2)cc(C)c1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC001591845708 1076792879 /nfs/dbraw/zinc/79/28/79/1076792879.db2.gz CCUKOKQJYOVAKC-KBPBESRZSA-N 1 3 314.437 2.043 20 0 DEADHO Cc1cc(-c2nnn[n-]2)cc(C)c1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC001591845708 1076792883 /nfs/dbraw/zinc/79/28/83/1076792883.db2.gz CCUKOKQJYOVAKC-KBPBESRZSA-N 1 3 314.437 2.043 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)C[C@@H]([NH3+])CC(C)C)N(C)C)cc1 ZINC001650338994 1079539546 /nfs/dbraw/zinc/53/95/46/1079539546.db2.gz STYOMPDHRPQDMC-DLBZAZTESA-N 1 3 305.466 2.477 20 0 DEADHO CC[NH+](CC)CC[C@@H](C)NC(=O)c1cc2c(s1)CNCC2 ZINC001650433695 1079619695 /nfs/dbraw/zinc/61/96/95/1079619695.db2.gz YDPPBQVRTIFRCD-GFCCVEGCSA-N 1 3 309.479 2.244 20 0 DEADHO CCCC[NH2+][C@@H](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001481342234 1079736586 /nfs/dbraw/zinc/73/65/86/1079736586.db2.gz NGYGJBZTNUZCRK-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](F)CN1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001484723119 1079748063 /nfs/dbraw/zinc/74/80/63/1079748063.db2.gz LWFGVRRDIUBFEP-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO CCC[NH2+][C@H](CNC(=O)CN(C)C1CCC1)c1ccccc1 ZINC001481366228 1079760460 /nfs/dbraw/zinc/76/04/60/1079760460.db2.gz DHOQMYKFTHOXHG-QGZVFWFLSA-N 1 3 303.450 2.328 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[C@H]1CC[N@H+](CC(C)C)C1 ZINC001481461361 1079904328 /nfs/dbraw/zinc/90/43/28/1079904328.db2.gz BGVMARQMCHOHKO-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001481461361 1079904335 /nfs/dbraw/zinc/90/43/35/1079904335.db2.gz BGVMARQMCHOHKO-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO C[N@H+](CCC1CCCC1)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001481499657 1079957921 /nfs/dbraw/zinc/95/79/21/1079957921.db2.gz XGZMRCHNUXOJFI-MRXNPFEDSA-N 1 3 318.465 2.313 20 0 DEADHO C[N@@H+](CCC1CCCC1)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001481499657 1079957924 /nfs/dbraw/zinc/95/79/24/1079957924.db2.gz XGZMRCHNUXOJFI-MRXNPFEDSA-N 1 3 318.465 2.313 20 0 DEADHO CC/C=C\CC[NH2+]CC1CC(NC(=O)Cc2nc[nH]c2C)C1 ZINC001485108840 1079985959 /nfs/dbraw/zinc/98/59/59/1079985959.db2.gz LEHBHDAXKGWYHT-PLNGDYQASA-N 1 3 304.438 2.101 20 0 DEADHO C[C@H](C[NH2+]CCC1CCCCC1)N(C)C(=O)[C@@H]1CCCN1C ZINC001268057411 1079987758 /nfs/dbraw/zinc/98/77/58/1079987758.db2.gz YJPRYFBHCYCGSO-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)N1CCC(C[N@H+](C)C/C=C/Cl)CC1 ZINC001481520538 1079992686 /nfs/dbraw/zinc/99/26/86/1079992686.db2.gz UJUJMQVFXFLYOA-VMPITWQZSA-N 1 3 315.889 2.251 20 0 DEADHO CCCN(C)CC(=O)N1CCC(C[N@@H+](C)C/C=C/Cl)CC1 ZINC001481520538 1079992693 /nfs/dbraw/zinc/99/26/93/1079992693.db2.gz UJUJMQVFXFLYOA-VMPITWQZSA-N 1 3 315.889 2.251 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C1CCC([NH2+]CCC2CC2)CC1 ZINC001485243384 1080091810 /nfs/dbraw/zinc/09/18/10/1080091810.db2.gz PNRVXZMWXDWACH-UHFFFAOYSA-N 1 3 309.498 2.486 20 0 DEADHO CN(C)C1(C(=O)NCC2C[NH+](CC3=CCCCC3)C2)CCC1 ZINC001481629570 1080161026 /nfs/dbraw/zinc/16/10/26/1080161026.db2.gz NXPZINUUPHSLFW-UHFFFAOYSA-N 1 3 305.466 2.019 20 0 DEADHO CC[C@@H](C(=O)NCCC[N@H+](C)Cc1cc(F)ccc1C)N(C)C ZINC001660305407 1080308729 /nfs/dbraw/zinc/30/87/29/1080308729.db2.gz KTIJJBTVFZSZIJ-KRWDZBQOSA-N 1 3 323.456 2.412 20 0 DEADHO CC[C@@H](C(=O)NCCC[N@@H+](C)Cc1cc(F)ccc1C)N(C)C ZINC001660305407 1080308739 /nfs/dbraw/zinc/30/87/39/1080308739.db2.gz KTIJJBTVFZSZIJ-KRWDZBQOSA-N 1 3 323.456 2.412 20 0 DEADHO CN(C)C1(C(=O)N(C)[C@H](C[NH2+]CC2CCC2)C2CC2)CCC1 ZINC001485814924 1080491164 /nfs/dbraw/zinc/49/11/64/1080491164.db2.gz WAJJYLPMPYQCSZ-MRXNPFEDSA-N 1 3 307.482 2.097 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)CCNC/C=C\Cl ZINC001268457361 1080519689 /nfs/dbraw/zinc/51/96/89/1080519689.db2.gz YCXUZAXAYWXDCJ-QPBFKRLHSA-N 1 3 301.862 2.051 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)N(CC)CCNC/C=C\Cl ZINC001268457361 1080519695 /nfs/dbraw/zinc/51/96/95/1080519695.db2.gz YCXUZAXAYWXDCJ-QPBFKRLHSA-N 1 3 301.862 2.051 20 0 DEADHO CC[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]C/C=C\Cl ZINC001481811588 1080523870 /nfs/dbraw/zinc/52/38/70/1080523870.db2.gz BDSMMRUNDAYHTK-CKXPSTMWSA-N 1 3 315.889 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CC2CCCC2)[C@H](C)C1 ZINC001107040999 1080554918 /nfs/dbraw/zinc/55/49/18/1080554918.db2.gz WWDVYFQUIMIXHW-NVXWUHKLSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CC2CC(C)C2)[C@H](C)C1 ZINC001107042562 1080555874 /nfs/dbraw/zinc/55/58/74/1080555874.db2.gz SBGMCGYGXUPKAH-MNAZLIDISA-N 1 3 309.498 2.057 20 0 DEADHO CC(C)CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001662713254 1080639570 /nfs/dbraw/zinc/63/95/70/1080639570.db2.gz YRPDLISUVQNPLS-DLBZAZTESA-N 1 3 311.514 2.447 20 0 DEADHO CCN(CC[NH2+]CC1CC1)C(=O)c1cccc(CN(C)C)c1 ZINC001268500249 1080651074 /nfs/dbraw/zinc/65/10/74/1080651074.db2.gz TVYQBSRWGBTVGT-UHFFFAOYSA-N 1 3 303.450 2.210 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)CN(C)C(C)C)cc1F ZINC001482172956 1080878388 /nfs/dbraw/zinc/87/83/88/1080878388.db2.gz CMZIEVXIJDMEGT-AWEZNQCLSA-N 1 3 323.456 2.316 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]C[C@@H](F)CC)N(C)C ZINC001422219947 1080987986 /nfs/dbraw/zinc/98/79/86/1080987986.db2.gz ZXTJPLXXCAHSAE-SOUVJXGZSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001268798582 1080997952 /nfs/dbraw/zinc/99/79/52/1080997952.db2.gz LYHFCSHKSBKUAT-KRWDZBQOSA-N 1 3 323.456 2.350 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+]CCC1CCCC1 ZINC001666655946 1081170594 /nfs/dbraw/zinc/17/05/94/1081170594.db2.gz FNPXVVCHQQWMSO-CYBMUJFWSA-N 1 3 306.454 2.183 20 0 DEADHO CC/C=C\CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001279999816 1081277667 /nfs/dbraw/zinc/27/76/67/1081277667.db2.gz PKHHVRATCCDUSH-OSNZYPHYSA-N 1 3 307.482 2.265 20 0 DEADHO C[C@@H](CC[NH2+]Cc1ccsc1)NC(=O)C1(N(C)C)CCC1 ZINC001668086606 1081314677 /nfs/dbraw/zinc/31/46/77/1081314677.db2.gz FXBXOCYOBAFVFH-ZDUSSCGKSA-N 1 3 309.479 2.217 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccccc1F)N(C)C ZINC001668203012 1081327637 /nfs/dbraw/zinc/32/76/37/1081327637.db2.gz MKMKWOTUYGRQKF-WMLDXEAASA-N 1 3 323.456 2.396 20 0 DEADHO CCN(CC[NH2+]CC1CC2(CCC2)C1)C(=O)CN1CC[C@H](C)C1 ZINC001668555041 1081367594 /nfs/dbraw/zinc/36/75/94/1081367594.db2.gz GSNWVFYZEIEPMX-INIZCTEOSA-N 1 3 321.509 2.347 20 0 DEADHO CC(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001269791473 1081367832 /nfs/dbraw/zinc/36/78/32/1081367832.db2.gz QKJJQEAQPQHNDH-DLBZAZTESA-N 1 3 311.514 2.447 20 0 DEADHO C[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CCCN1C)c1ccc(F)cc1 ZINC001668745923 1081391091 /nfs/dbraw/zinc/39/10/91/1081391091.db2.gz OMSCXIBLHBCHOJ-JNPAJOFYSA-N 1 3 319.424 2.243 20 0 DEADHO CC(C)N(C)CC(=O)NC/C=C/C[NH2+]CC1CCC(C)CC1 ZINC001669206551 1081437722 /nfs/dbraw/zinc/43/77/22/1081437722.db2.gz FFSLAPLCCVMMJI-AATRIKPKSA-N 1 3 309.498 2.415 20 0 DEADHO Cc1ccc(C[NH2+]CCCN(C)C(=O)CN2CC[C@H](C)C2)cc1 ZINC001670246244 1081504787 /nfs/dbraw/zinc/50/47/87/1081504787.db2.gz SQCCYPPQGCSUIX-KRWDZBQOSA-N 1 3 317.477 2.275 20 0 DEADHO C[C@H](C[NH2+]CCc1cccs1)N(C)C(=O)CN(C)C1CCC1 ZINC001482291728 1081535292 /nfs/dbraw/zinc/53/52/92/1081535292.db2.gz IGJXAWVKDKRNSS-CQSZACIVSA-N 1 3 323.506 2.211 20 0 DEADHO CCCCCCN(C)CC(=O)N1C[C@@H]2C[N@H+](C(C)C)C[C@@H]2C1 ZINC001672438901 1081599220 /nfs/dbraw/zinc/59/92/20/1081599220.db2.gz MGIDUNNZJRFDRC-CALCHBBNSA-N 1 3 309.498 2.297 20 0 DEADHO CCCCCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C1 ZINC001672438901 1081599226 /nfs/dbraw/zinc/59/92/26/1081599226.db2.gz MGIDUNNZJRFDRC-CALCHBBNSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001482457481 1081913553 /nfs/dbraw/zinc/91/35/53/1081913553.db2.gz SERRYZNPHKVWOR-IAGOWNOFSA-N 1 3 307.482 2.408 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC(CC[N@H+](C)CC2CCC2)CC1 ZINC001496496320 1081924787 /nfs/dbraw/zinc/92/47/87/1081924787.db2.gz QDARHJBBMDXVJS-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)CC2CCC2)CC1 ZINC001496496320 1081924793 /nfs/dbraw/zinc/92/47/93/1081924793.db2.gz QDARHJBBMDXVJS-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[C@@H](CNC(=O)c1cc2c(s1)CNCC2)[NH+](C)C ZINC001648964472 1081959338 /nfs/dbraw/zinc/95/93/38/1081959338.db2.gz QSDTYEXRMDIVPA-ZDUSSCGKSA-N 1 3 309.479 2.100 20 0 DEADHO CC(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCN1C(C)C)C1CC1 ZINC001670469370 1082145562 /nfs/dbraw/zinc/14/55/62/1082145562.db2.gz IKRDDZJGPIHMRD-SJORKVTESA-N 1 3 309.498 2.390 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC2(CCC[N@H+](C)C2)CC1 ZINC001271931741 1082197705 /nfs/dbraw/zinc/19/77/05/1082197705.db2.gz QFEPLRIINZSTQD-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001271931741 1082197709 /nfs/dbraw/zinc/19/77/09/1082197709.db2.gz QFEPLRIINZSTQD-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO CN(CCNCc1ccsc1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001266798410 1082353814 /nfs/dbraw/zinc/35/38/14/1082353814.db2.gz QDTPUYWWMKENID-UHFFFAOYSA-N 1 3 309.479 2.171 20 0 DEADHO [NH3+]CCc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC001648987279 1082398374 /nfs/dbraw/zinc/39/83/74/1082398374.db2.gz MCVJXOHRHNXVMH-UHFFFAOYSA-N 1 3 315.461 2.278 20 0 DEADHO Cc1ccccc1CN(C)CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001482628768 1082421174 /nfs/dbraw/zinc/42/11/74/1082421174.db2.gz YFNVMJRXQBLMRD-MRXNPFEDSA-N 1 3 317.477 2.227 20 0 DEADHO Cc1ccccc1CN(C)CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482628768 1082421179 /nfs/dbraw/zinc/42/11/79/1082421179.db2.gz YFNVMJRXQBLMRD-MRXNPFEDSA-N 1 3 317.477 2.227 20 0 DEADHO CC1(C(=O)NC2CC([NH2+]CCF)C2)C2Cc3ccccc3C21 ZINC001022331484 1082434012 /nfs/dbraw/zinc/43/40/12/1082434012.db2.gz KWVDFTYHFAZISG-XIZOUUALSA-N 1 3 302.393 2.169 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC=C(C)C)C1 ZINC001482666218 1082446365 /nfs/dbraw/zinc/44/63/65/1082446365.db2.gz NWXQKFMRTXUSMA-DLBZAZTESA-N 1 3 307.482 2.217 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC=C(C)C)C1 ZINC001482666218 1082446370 /nfs/dbraw/zinc/44/63/70/1082446370.db2.gz NWXQKFMRTXUSMA-DLBZAZTESA-N 1 3 307.482 2.217 20 0 DEADHO CCCC[NH2+][C@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001266972183 1082484499 /nfs/dbraw/zinc/48/44/99/1082484499.db2.gz WIVWKVZUCMWSDA-CJNGLKHVSA-N 1 3 301.450 2.093 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001482693783 1082486907 /nfs/dbraw/zinc/48/69/07/1082486907.db2.gz NNJCNNLPHMODEM-OLZOCXBDSA-N 1 3 323.403 2.155 20 0 DEADHO C[C@@H](CC[NH2+]C/C=C\Cl)NC(=O)C(C)(C)N1CCCCC1 ZINC001482833371 1082524416 /nfs/dbraw/zinc/52/44/16/1082524416.db2.gz LVXAECHDBYRNMB-LEJCZOIISA-N 1 3 315.889 2.488 20 0 DEADHO Cc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCCN2C)cc1C ZINC001482991238 1082611028 /nfs/dbraw/zinc/61/10/28/1082611028.db2.gz OBLHZMNRYKNZTM-XDXAGZTOSA-N 1 3 315.461 2.160 20 0 DEADHO CN(C)C1(C(=O)NC/C=C\C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCC1 ZINC001483019250 1082626598 /nfs/dbraw/zinc/62/65/98/1082626598.db2.gz WWILCDDSRVRUSF-AOAYNFQDSA-N 1 3 319.493 2.169 20 0 DEADHO Cc1cccc([C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]2CCCN2C)c1 ZINC001483045441 1082657343 /nfs/dbraw/zinc/65/73/43/1082657343.db2.gz XCJQRZFURJINEU-IMBPEULASA-N 1 3 315.461 2.412 20 0 DEADHO C[C@@H](NC/C=C\CNC(=O)CC[NH+](C)C)c1ccc(F)cc1 ZINC001483053628 1082665503 /nfs/dbraw/zinc/66/55/03/1082665503.db2.gz GKSILKBCRAPRKJ-ZRUQZJFASA-N 1 3 307.413 2.100 20 0 DEADHO CC[C@H](C(=O)NC/C=C/C[NH2+][C@H](C)c1cccc(F)c1)N(C)C ZINC001483084005 1082696951 /nfs/dbraw/zinc/69/69/51/1082696951.db2.gz UQPLPRQLDSRVLM-CMFPSAGXSA-N 1 3 321.440 2.489 20 0 DEADHO CC[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccccc2F)C1)N(C)C ZINC001409322246 1082762654 /nfs/dbraw/zinc/76/26/54/1082762654.db2.gz XJCHTHKRPGQIGY-PGEKIEPBSA-N 1 3 321.440 2.150 20 0 DEADHO CC[C@H](C)C[NH2+]CC(C)(C)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001409448215 1082895732 /nfs/dbraw/zinc/89/57/32/1082895732.db2.gz ODKXMZKACHQMGE-JKSUJKDBSA-N 1 3 311.514 2.449 20 0 DEADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)CCc1ccccc1 ZINC001409571716 1082960479 /nfs/dbraw/zinc/96/04/79/1082960479.db2.gz WNXXRJIEIADYLJ-MRXNPFEDSA-N 1 3 317.477 2.150 20 0 DEADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)CCc1ccccc1 ZINC001409571716 1082960487 /nfs/dbraw/zinc/96/04/87/1082960487.db2.gz WNXXRJIEIADYLJ-MRXNPFEDSA-N 1 3 317.477 2.150 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[N@@H+](C)CC[C@H](C)F ZINC001409587710 1082969701 /nfs/dbraw/zinc/96/97/01/1082969701.db2.gz XXXDJGHXFYYPPF-LSDHHAIUSA-N 1 3 315.477 2.436 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[N@H+](C)CC[C@H](C)F ZINC001409587710 1082969704 /nfs/dbraw/zinc/96/97/04/1082969704.db2.gz XXXDJGHXFYYPPF-LSDHHAIUSA-N 1 3 315.477 2.436 20 0 DEADHO COc1cccc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)c1 ZINC001413133594 1083382295 /nfs/dbraw/zinc/38/22/95/1083382295.db2.gz NGPZUSSWWZSUTP-ROUUACIJSA-N 1 3 304.434 2.163 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1N(C/C=C\Cl)CC2 ZINC001107533805 1083465659 /nfs/dbraw/zinc/46/56/59/1083465659.db2.gz HHCIBOCPMCNRHM-PNFQKLFZSA-N 1 3 313.873 2.051 20 0 DEADHO COc1ccc(C)cc1CN1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001276631350 1083523554 /nfs/dbraw/zinc/52/35/54/1083523554.db2.gz PAWOMJMFVLNETK-UHFFFAOYSA-N 1 3 317.477 2.073 20 0 DEADHO Cc1cc(CN2CCCC3(CN(CC[NH+](C)C)C3)C2)cnc1C ZINC001276870428 1083654767 /nfs/dbraw/zinc/65/47/67/1083654767.db2.gz OBBOALWBMBHXML-UHFFFAOYSA-N 1 3 316.493 2.158 20 0 DEADHO NC(=O)[C@@H]1CCC2(C1)CC[NH+](CCCN1CCCCC1)CC2 ZINC001277182249 1083833841 /nfs/dbraw/zinc/83/38/41/1083833841.db2.gz AZMGJDGHNZSFEJ-MRXNPFEDSA-N 1 3 307.482 2.230 20 0 DEADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]CC=C(Cl)Cl)C1)C1CCC1 ZINC001491025272 1084016001 /nfs/dbraw/zinc/01/60/01/1084016001.db2.gz AZYKQMBRFHCZSK-PHIMTYICSA-N 1 3 320.264 2.027 20 0 DEADHO CCCN(C)CC(=O)N1CCC([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001203459675 1084072581 /nfs/dbraw/zinc/07/25/81/1084072581.db2.gz HZJWLMGARWWLSA-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CCCCCCN(C)CC(=O)NCCC[NH2+]CCCCOC ZINC001168615939 1084198119 /nfs/dbraw/zinc/19/81/19/1084198119.db2.gz WYEUPIQEYHMGCM-UHFFFAOYSA-N 1 3 315.502 2.021 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001491454979 1084324396 /nfs/dbraw/zinc/32/43/96/1084324396.db2.gz NGINDBNSIAIMDZ-WMZOPIPTSA-N 1 3 317.477 2.462 20 0 DEADHO C[C@@H]1CNCC(F)(F)[C@H]1CN1CCCC[C@]12CCC[NH2+]C2 ZINC001235172229 1084334307 /nfs/dbraw/zinc/33/43/07/1084334307.db2.gz KZRNSUQWGTXOMX-QLFBSQMISA-N 1 3 301.425 2.085 20 0 DEADHO C(c1nc2c(s1)CNCC2)N1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235242102 1084355440 /nfs/dbraw/zinc/35/54/40/1084355440.db2.gz RDYYSYYBLNRCDO-CQSZACIVSA-N 1 3 320.506 2.143 20 0 DEADHO Cc1cc(C[NH+]2CCC3(CN(C)C3)CC2)cc(C)c1OCCO ZINC001235377844 1084412753 /nfs/dbraw/zinc/41/27/53/1084412753.db2.gz ZIVBMHPPIXGUTE-UHFFFAOYSA-N 1 3 318.461 2.202 20 0 DEADHO Brc1cccc([C@@H]2CN(C[C@H]3CCC[NH2+]3)CCN2)c1 ZINC001235791694 1084530782 /nfs/dbraw/zinc/53/07/82/1084530782.db2.gz BYGRAVJPSCZUOZ-CABCVRRESA-N 1 3 324.266 2.147 20 0 DEADHO COc1cc(C)c(CN(C)CCN2CC[NH2+]CC2)cc1C(C)C ZINC001236083148 1084608817 /nfs/dbraw/zinc/60/88/17/1084608817.db2.gz PFKFPQWGQUZLSZ-UHFFFAOYSA-N 1 3 319.493 2.464 20 0 DEADHO Cc1ccsc1C[N@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001272934077 1084886337 /nfs/dbraw/zinc/88/63/37/1084886337.db2.gz MAZSTSHVKCDJEI-KRWDZBQOSA-N 1 3 321.490 2.043 20 0 DEADHO Cc1ccsc1C[N@@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001272934077 1084886342 /nfs/dbraw/zinc/88/63/42/1084886342.db2.gz MAZSTSHVKCDJEI-KRWDZBQOSA-N 1 3 321.490 2.043 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CCCCCF)CN1C(=O)CN(C)C1CCC1 ZINC001486117037 1085074630 /nfs/dbraw/zinc/07/46/30/1085074630.db2.gz XZDXVLCVJYLWHQ-HUUCEWRRSA-N 1 3 313.461 2.190 20 0 DEADHO CCCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)CC1(C)C ZINC001486231933 1085140801 /nfs/dbraw/zinc/14/08/01/1085140801.db2.gz RABUCKOSSMOWMH-HOTGVXAUSA-N 1 3 309.498 2.486 20 0 DEADHO CN(C)C1(C(=O)N(C)C2CC([NH2+]CCCCCF)C2)CCC1 ZINC001486464565 1085341836 /nfs/dbraw/zinc/34/18/36/1085341836.db2.gz FDLOAFKTBJMLPS-UHFFFAOYSA-N 1 3 313.461 2.190 20 0 DEADHO CC[NH2+]Cc1ccc(CNC(=O)CN2[C@H](C)CC[C@@H]2C)c(F)c1 ZINC001486525795 1085408562 /nfs/dbraw/zinc/40/85/62/1085408562.db2.gz YJBMZDRGALAEHH-OKILXGFUSA-N 1 3 321.440 2.424 20 0 DEADHO C[N@H+](CC1CCCC1)C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC000960909740 1085504210 /nfs/dbraw/zinc/50/42/10/1085504210.db2.gz JYXYTIDZSYTTOT-MRXNPFEDSA-N 1 3 304.438 2.065 20 0 DEADHO C[N@@H+](CC1CCCC1)C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC000960909740 1085504216 /nfs/dbraw/zinc/50/42/16/1085504216.db2.gz JYXYTIDZSYTTOT-MRXNPFEDSA-N 1 3 304.438 2.065 20 0 DEADHO CC1(C)CCN(CC(=O)NC2CC3(C2)CC([NH2+]CC2CC2)C3)C1 ZINC000965065061 1085512813 /nfs/dbraw/zinc/51/28/13/1085512813.db2.gz UNONWKKZJZMIJX-UHFFFAOYSA-N 1 3 319.493 2.145 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CC1 ZINC000961031748 1085545430 /nfs/dbraw/zinc/54/54/30/1085545430.db2.gz ONZGJXJZHIAIPM-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC1 ZINC000961031748 1085545434 /nfs/dbraw/zinc/54/54/34/1085545434.db2.gz ONZGJXJZHIAIPM-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO Cn1cncc1CCN1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001413054382 1085817727 /nfs/dbraw/zinc/81/77/27/1085817727.db2.gz QHFRTOIAHVDONC-AZUAARDMSA-N 1 3 324.472 2.417 20 0 DEADHO Cn1cncc1CCN1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001413054382 1085817730 /nfs/dbraw/zinc/81/77/30/1085817730.db2.gz QHFRTOIAHVDONC-AZUAARDMSA-N 1 3 324.472 2.417 20 0 DEADHO Cn1cncc1CC[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@@]2(C)C1 ZINC001413054382 1085817735 /nfs/dbraw/zinc/81/77/35/1085817735.db2.gz QHFRTOIAHVDONC-AZUAARDMSA-N 1 3 324.472 2.417 20 0 DEADHO Cn1cncc1CC[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@@]2(C)C1 ZINC001413054382 1085817738 /nfs/dbraw/zinc/81/77/38/1085817738.db2.gz QHFRTOIAHVDONC-AZUAARDMSA-N 1 3 324.472 2.417 20 0 DEADHO CC(C)C1=NCCc2ccc(NC(=[NH2+])N3CCN(C)CC3)cc21 ZINC001168741285 1086187915 /nfs/dbraw/zinc/18/79/15/1086187915.db2.gz VYLKBIFEVPYGOJ-UHFFFAOYSA-N 1 3 313.449 2.282 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C1C[NH+](C[C@@H](C)CC(C)C)C1 ZINC001409967602 1086334541 /nfs/dbraw/zinc/33/45/41/1086334541.db2.gz FHVVKMDQBWWQQH-KBPBESRZSA-N 1 3 320.481 2.379 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1ccc(Cl)s1 ZINC001168754728 1086466493 /nfs/dbraw/zinc/46/64/93/1086466493.db2.gz ARACGRPJSPKCHA-UHFFFAOYSA-N 1 3 317.886 2.339 20 0 DEADHO [NH3+][C@H]1CC[C@H](C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000710951454 1086691255 /nfs/dbraw/zinc/69/12/55/1086691255.db2.gz SJPLRLVRIISRBV-BZSNNMDCSA-N 1 3 315.461 2.285 20 0 DEADHO CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1c1ccccc1F ZINC001079310816 1087889355 /nfs/dbraw/zinc/88/93/55/1087889355.db2.gz LEYLEBRXAWURFR-UAGQMJEPSA-N 1 3 321.440 2.070 20 0 DEADHO C[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1C)N1CCCCCC1 ZINC001080554462 1089061404 /nfs/dbraw/zinc/06/14/04/1089061404.db2.gz QVLGNMUKWQDXOO-HLLBOEOZSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1C)N1CCCCCC1 ZINC001080554462 1089061423 /nfs/dbraw/zinc/06/14/23/1089061423.db2.gz QVLGNMUKWQDXOO-HLLBOEOZSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000172616672 1090102163 /nfs/dbraw/zinc/10/21/63/1090102163.db2.gz DOBQYMJGZMKMFJ-QGZVFWFLSA-N 1 3 307.482 2.240 20 0 DEADHO CCN1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084853253 1090476422 /nfs/dbraw/zinc/47/64/22/1090476422.db2.gz AEGICAUQPYRMMM-BRWVUGGUSA-N 1 3 307.482 2.050 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]C[C@H](F)CC)CCCCC1 ZINC001120046226 1090631538 /nfs/dbraw/zinc/63/15/38/1090631538.db2.gz RWDCPHJUFPYFED-OAHLLOKOSA-N 1 3 315.477 2.485 20 0 DEADHO CCC(CC)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001410865693 1091175984 /nfs/dbraw/zinc/17/59/84/1091175984.db2.gz OBRZMEHXFOQSDU-GOEBONIOSA-N 1 3 309.498 2.486 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2cccc(C)c2)C[C@H]1C ZINC001410870841 1091179321 /nfs/dbraw/zinc/17/93/21/1091179321.db2.gz ILQOKIQKWBPOSF-SJLPKXTDSA-N 1 3 317.477 2.416 20 0 DEADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H](C)N1CCCCCC1 ZINC001412339640 1091328677 /nfs/dbraw/zinc/32/86/77/1091328677.db2.gz VLYBUCSWWDGWPS-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)C[C@H]1C ZINC001274632587 1091340554 /nfs/dbraw/zinc/34/05/54/1091340554.db2.gz ABXGLBIGTROWAM-CVEARBPZSA-N 1 3 307.482 2.406 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)C[C@H]1C ZINC001274632587 1091340565 /nfs/dbraw/zinc/34/05/65/1091340565.db2.gz ABXGLBIGTROWAM-CVEARBPZSA-N 1 3 307.482 2.406 20 0 DEADHO CCOC(=O)CCN1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC001274935369 1091482500 /nfs/dbraw/zinc/48/25/00/1091482500.db2.gz TUUJGJAZESKDAY-UHFFFAOYSA-N 1 3 316.445 2.419 20 0 DEADHO CN(C)CC[N@@H+]1CCC[C@@]2(CCCN(Cc3cccn3C)C2)C1 ZINC001275234410 1091629443 /nfs/dbraw/zinc/62/94/43/1091629443.db2.gz QOKNMVDUGCOKRO-LJQANCHMSA-N 1 3 318.509 2.265 20 0 DEADHO CN(C)CC[N@H+]1CCC[C@@]2(CCCN(Cc3cccn3C)C2)C1 ZINC001275234410 1091629448 /nfs/dbraw/zinc/62/94/48/1091629448.db2.gz QOKNMVDUGCOKRO-LJQANCHMSA-N 1 3 318.509 2.265 20 0 DEADHO C[N@H+]1CC[C@H]2CN(Cc3cnc(C(F)(F)F)nc3)C[C@H]2CC1 ZINC001275456670 1091763056 /nfs/dbraw/zinc/76/30/56/1091763056.db2.gz HGMBLKQNXJGONN-BETUJISGSA-N 1 3 314.355 2.269 20 0 DEADHO C[N@@H+]1CC[C@H]2CN(Cc3cnc(C(F)(F)F)nc3)C[C@H]2CC1 ZINC001275456670 1091763062 /nfs/dbraw/zinc/76/30/62/1091763062.db2.gz HGMBLKQNXJGONN-BETUJISGSA-N 1 3 314.355 2.269 20 0 DEADHO CN(CC(=O)N1CC[C@H]([NH2+]CCCCCF)C1)CC(C)(C)C ZINC001490842411 1091852911 /nfs/dbraw/zinc/85/29/11/1091852911.db2.gz MEGJRHCIJLEOPB-HNNXBMFYSA-N 1 3 315.477 2.295 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCCN2CCC(C)(C)C2)C1 ZINC001411575222 1091885257 /nfs/dbraw/zinc/88/52/57/1091885257.db2.gz BEZROPMZLCYFBY-KRWDZBQOSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCCN2CCC(C)(C)C2)C1 ZINC001411575222 1091885264 /nfs/dbraw/zinc/88/52/64/1091885264.db2.gz BEZROPMZLCYFBY-KRWDZBQOSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H](F)CC[N@@H+]1CCC[C@@H](N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000948813186 1091951810 /nfs/dbraw/zinc/95/18/10/1091951810.db2.gz WEBQUQPDIKJMPP-DZGCQCFKSA-N 1 3 310.417 2.013 20 0 DEADHO C[C@H](F)CC[N@H+]1CCC[C@@H](N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000948813186 1091951814 /nfs/dbraw/zinc/95/18/14/1091951814.db2.gz WEBQUQPDIKJMPP-DZGCQCFKSA-N 1 3 310.417 2.013 20 0 DEADHO CCN(CC[NH2+]CC1=CCCCC1)C(=O)CN1CC[C@H](C)C1 ZINC001273609647 1091952177 /nfs/dbraw/zinc/95/21/77/1091952177.db2.gz AZNTVNOEAYOGHG-INIZCTEOSA-N 1 3 307.482 2.267 20 0 DEADHO CCN(CC[NH2+]Cc1ccc(C)cc1)C(=O)CN1CC[C@H](C)C1 ZINC001273609654 1091952959 /nfs/dbraw/zinc/95/29/59/1091952959.db2.gz BIVRFJWDAIRBOM-KRWDZBQOSA-N 1 3 317.477 2.275 20 0 DEADHO CCN(CC[NH2+]C/C=C\Cl)C(=O)CN(C)CC(C)(C)C ZINC001273611004 1091953654 /nfs/dbraw/zinc/95/36/54/1091953654.db2.gz SNYUXWYLVJLCHP-FPLPWBNLSA-N 1 3 303.878 2.155 20 0 DEADHO Cc1cc(CN2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c(C)cc1O ZINC001275971382 1092405003 /nfs/dbraw/zinc/40/50/03/1092405003.db2.gz GLOKVASVKXCFHQ-HDICACEKSA-N 1 3 317.477 2.219 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[N@H+](C)Cc2cccc(F)c2)C1 ZINC001490251143 1093262121 /nfs/dbraw/zinc/26/21/21/1093262121.db2.gz YAFJFVJOCFCXEE-HNNXBMFYSA-N 1 3 321.440 2.106 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[N@@H+](C)Cc2cccc(F)c2)C1 ZINC001490251143 1093262128 /nfs/dbraw/zinc/26/21/28/1093262128.db2.gz YAFJFVJOCFCXEE-HNNXBMFYSA-N 1 3 321.440 2.106 20 0 DEADHO Cc1cc(F)ccc1C[N@@H+](C)CCCNC(=O)CN(C)C(C)C ZINC001490281785 1093274414 /nfs/dbraw/zinc/27/44/14/1093274414.db2.gz NCXOUXROVTUDMJ-UHFFFAOYSA-N 1 3 323.456 2.412 20 0 DEADHO Cc1cc(F)ccc1C[N@H+](C)CCCNC(=O)CN(C)C(C)C ZINC001490281785 1093274419 /nfs/dbraw/zinc/27/44/19/1093274419.db2.gz NCXOUXROVTUDMJ-UHFFFAOYSA-N 1 3 323.456 2.412 20 0 DEADHO CC(C)[NH2+]C1(CO)CCN(C[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000878668074 1093681335 /nfs/dbraw/zinc/68/13/35/1093681335.db2.gz KBZBTSVZJLDIPB-HNNXBMFYSA-N 1 3 312.498 2.405 20 0 DEADHO CC(C)NC1(CO)CC[NH+](C[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000878668074 1093681338 /nfs/dbraw/zinc/68/13/38/1093681338.db2.gz KBZBTSVZJLDIPB-HNNXBMFYSA-N 1 3 312.498 2.405 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2)[C@H]1C ZINC001369385019 1148917375 /nfs/dbraw/zinc/91/73/75/1148917375.db2.gz AHGFIMHKRCOSHF-AEFFLSMTSA-N 1 3 317.477 2.416 20 0 DEADHO C[NH+]1CC2(C1)CCN(CCCn1c3ccccc3[nH]c1=O)CC2 ZINC001278065086 1138522640 /nfs/dbraw/zinc/52/26/40/1138522640.db2.gz RLJTYDIDLSXMOM-UHFFFAOYSA-N 1 3 314.433 2.160 20 0 DEADHO CN1CC2(C1)CC[NH+](CCCn1c3ccccc3[nH]c1=O)CC2 ZINC001278065086 1138522654 /nfs/dbraw/zinc/52/26/54/1138522654.db2.gz RLJTYDIDLSXMOM-UHFFFAOYSA-N 1 3 314.433 2.160 20 0 DEADHO CCOC(=O)Cc1ccc(CN(C)C2CC[NH+](C)CC2)cc1 ZINC001237471937 1138647477 /nfs/dbraw/zinc/64/74/77/1138647477.db2.gz KRPGLKFDOFJPMM-UHFFFAOYSA-N 1 3 304.434 2.318 20 0 DEADHO Cc1cc(C)cc(NC(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)c1 ZINC001239217085 1138991701 /nfs/dbraw/zinc/99/17/01/1138991701.db2.gz RAEAAHUIRXZPJX-HNNXBMFYSA-N 1 3 316.449 2.299 20 0 DEADHO Cc1cc(C)cc(NC(=O)NC[C@H]2CCC3(CCNCC3)[NH2+]2)c1 ZINC001239217086 1138992414 /nfs/dbraw/zinc/99/24/14/1138992414.db2.gz RAEAAHUIRXZPJX-OAHLLOKOSA-N 1 3 316.449 2.299 20 0 DEADHO Cc1ccc(Cl)cc1NC(=S)NCCC[NH2+]CCCN ZINC001239397066 1139034357 /nfs/dbraw/zinc/03/43/57/1139034357.db2.gz UPEPQDIPYQMUMQ-UHFFFAOYSA-N 1 3 314.886 2.263 20 0 DEADHO COCOc1ccc(-c2cc(N3CC[NH2+]CC3)ccn2)cc1F ZINC001242114681 1139877425 /nfs/dbraw/zinc/87/74/25/1139877425.db2.gz DEMRXRPKLCPRDM-UHFFFAOYSA-N 1 3 317.364 2.280 20 0 DEADHO c1cc(N2CC[NH2+]CC2)cc(-c2ccc3c(c2)OCCCO3)n1 ZINC001242207074 1139885588 /nfs/dbraw/zinc/88/55/88/1139885588.db2.gz IOFOAMAHROLECD-UHFFFAOYSA-N 1 3 311.385 2.320 20 0 DEADHO Cc1ccc(C)c(C[NH2+][C@@H](C)CNC(=O)CN(C)C(C)C)c1 ZINC001491682296 1140247662 /nfs/dbraw/zinc/24/76/62/1140247662.db2.gz KGMVZCNJLZJPGX-INIZCTEOSA-N 1 3 305.466 2.238 20 0 DEADHO CN1C(=O)CCc2cc(-c3cc(N4CC[NH2+]CC4)ccn3)ccc21 ZINC001244010117 1140291489 /nfs/dbraw/zinc/29/14/89/1140291489.db2.gz PHOJJUDBSDZKKF-UHFFFAOYSA-N 1 3 322.412 2.067 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001491752192 1140296384 /nfs/dbraw/zinc/29/63/84/1140296384.db2.gz UCRREFXAVKTUBJ-RDJZCZTQSA-N 1 3 307.482 2.099 20 0 DEADHO CC[C@@H](CNC(=O)[C@@H](C)N1CCCCCC1)[NH2+]CCCF ZINC001318582920 1140368557 /nfs/dbraw/zinc/36/85/57/1140368557.db2.gz WETVUAPSMMTHMY-CABCVRRESA-N 1 3 301.450 2.095 20 0 DEADHO CC(C)Oc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCCC[C@H]1N ZINC001246012709 1140845719 /nfs/dbraw/zinc/84/57/19/1140845719.db2.gz OIHBPVRQPJGONM-XHSDSOJGSA-N 1 3 322.449 2.073 20 0 DEADHO CCCC[C@H](CC)COC[C@H](O)CN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001246018489 1140846884 /nfs/dbraw/zinc/84/68/84/1140846884.db2.gz DSMBZHMONYSRFK-WNRNVDISSA-N 1 3 314.514 2.497 20 0 DEADHO CCCC[C@H](CC)COC[C@H](O)CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001246018487 1140847289 /nfs/dbraw/zinc/84/72/89/1140847289.db2.gz DSMBZHMONYSRFK-VSZNYVQBSA-N 1 3 314.514 2.497 20 0 DEADHO CC(C)c1ccc(OC[C@H](O)C[NH2+][C@H]2CCCC[C@H]2N)cc1 ZINC001246019070 1140847359 /nfs/dbraw/zinc/84/73/59/1140847359.db2.gz NIDSMRLASDIIQY-NXHRZFHOSA-N 1 3 306.450 2.409 20 0 DEADHO [NH3+]C[C@@]1(F)CCCN(C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC001246019666 1140847607 /nfs/dbraw/zinc/84/76/07/1140847607.db2.gz JFSLYWIUSAKHKJ-LSDHHAIUSA-N 1 3 302.340 2.151 20 0 DEADHO N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001246058422 1140855792 /nfs/dbraw/zinc/85/57/92/1140855792.db2.gz WGUGXTHWCGOZIA-PCCBWWKXSA-N 1 3 324.468 2.482 20 0 DEADHO N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001246058422 1140855793 /nfs/dbraw/zinc/85/57/93/1140855793.db2.gz WGUGXTHWCGOZIA-PCCBWWKXSA-N 1 3 324.468 2.482 20 0 DEADHO C[C@H]1CC[C@H](N[C@H]2CCCN(C(=O)c3ccccc3)CC2)C[NH2+]1 ZINC001246078017 1140857758 /nfs/dbraw/zinc/85/77/58/1140857758.db2.gz AXRTZYWTCGDBIF-SZMVWBNQSA-N 1 3 315.461 2.411 20 0 DEADHO O[C@@]1(C[NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)CCNC[C@@H]1F ZINC001246082387 1140858599 /nfs/dbraw/zinc/85/85/99/1140858599.db2.gz LSGJQFZIURIASY-ZJPYXAASSA-N 1 3 306.425 2.365 20 0 DEADHO O=C1CC[C@H](N[C@@H]2CCCC[NH2+]C2)CCN1Cc1ccccc1 ZINC001246092486 1140860101 /nfs/dbraw/zinc/86/01/01/1140860101.db2.gz RXYFXNZTGKURBJ-ZWKOTPCHSA-N 1 3 315.461 2.299 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H](CN[C@@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001246096220 1140860671 /nfs/dbraw/zinc/86/06/71/1140860671.db2.gz DOGJYQUJNNWWNS-CGTJXYLNSA-N 1 3 315.461 2.013 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001320464950 1140869251 /nfs/dbraw/zinc/86/92/51/1140869251.db2.gz WFLRTPFZOHSURU-RHSMWYFYSA-N 1 3 323.456 2.459 20 0 DEADHO COc1ccc(CN2CCC([NH2+][C@H]3CC[C@@H](C)NC3)CC2)cc1 ZINC001246171769 1140869731 /nfs/dbraw/zinc/86/97/31/1140869731.db2.gz NQKXRJVIOVKLRN-QAPCUYQASA-N 1 3 317.477 2.390 20 0 DEADHO COc1ccc(CN2CCC([NH2+][C@@H]3CC[C@H](C)NC3)CC2)cc1 ZINC001246171768 1140869984 /nfs/dbraw/zinc/86/99/84/1140869984.db2.gz NQKXRJVIOVKLRN-MAUKXSAKSA-N 1 3 317.477 2.390 20 0 DEADHO Brc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC001246223986 1140874918 /nfs/dbraw/zinc/87/49/18/1140874918.db2.gz LSUDXPOHEGEXLN-PBWFPOADSA-N 1 3 310.239 2.259 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]C2CCN(CC(=O)c3ccccc3)CC2)CCN1 ZINC001246359973 1140888013 /nfs/dbraw/zinc/88/80/13/1140888013.db2.gz QBAFBTHFJXKTQB-YJBOKZPZSA-N 1 3 315.461 2.064 20 0 DEADHO Cc1cc(F)cc(CN2CCC([NH2+]C3CCNCC3)CC2)c1 ZINC001246361371 1140888306 /nfs/dbraw/zinc/88/83/06/1140888306.db2.gz XMIATBMLBBHZSA-UHFFFAOYSA-N 1 3 305.441 2.440 20 0 DEADHO CCCC[C@@H](Cc1ccccc1)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246416801 1140896095 /nfs/dbraw/zinc/89/60/95/1140896095.db2.gz LZCGHMQNCAPYPK-IRXDYDNUSA-N 1 3 305.466 2.360 20 0 DEADHO C[C@]1(N)CC[N@@H+]([C@@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001246531729 1140939443 /nfs/dbraw/zinc/93/94/43/1140939443.db2.gz SQQALGAIRUXNSZ-AEFFLSMTSA-N 1 3 301.434 2.104 20 0 DEADHO C[C@]1(N)CC[N@H+]([C@@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001246531729 1140939454 /nfs/dbraw/zinc/93/94/54/1140939454.db2.gz SQQALGAIRUXNSZ-AEFFLSMTSA-N 1 3 301.434 2.104 20 0 DEADHO COc1ccc([C@H]2C[C@H]([N@@H+]3C[C@H](C)[C@H](CN)C3)CCO2)cc1 ZINC001246538691 1140944658 /nfs/dbraw/zinc/94/46/58/1140944658.db2.gz FGHPJSDXUCULKO-AAJLLMFJSA-N 1 3 304.434 2.442 20 0 DEADHO COc1ccc([C@H]2C[C@H]([N@H+]3C[C@H](C)[C@H](CN)C3)CCO2)cc1 ZINC001246538691 1140944669 /nfs/dbraw/zinc/94/46/69/1140944669.db2.gz FGHPJSDXUCULKO-AAJLLMFJSA-N 1 3 304.434 2.442 20 0 DEADHO Cc1ccc2c(c1)C[C@@H](N1CC[NH2+]C[C@]3(CCCCN3)C1)CC2 ZINC001246637102 1141017313 /nfs/dbraw/zinc/01/73/13/1141017313.db2.gz XTUPRVVIPYBBKT-VQTJNVASSA-N 1 3 313.489 2.270 20 0 DEADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)CCN1 ZINC001246727240 1141045783 /nfs/dbraw/zinc/04/57/83/1141045783.db2.gz VTDHUJCPTQNEPR-REEYDVFISA-N 1 3 308.466 2.175 20 0 DEADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)CCN1 ZINC001246727240 1141045790 /nfs/dbraw/zinc/04/57/90/1141045790.db2.gz VTDHUJCPTQNEPR-REEYDVFISA-N 1 3 308.466 2.175 20 0 DEADHO c1ccc(OC[C@@]23CCC[C@@H]2C[N@@H+](C2CCNCC2)C3)nc1 ZINC001246729450 1141046426 /nfs/dbraw/zinc/04/64/26/1141046426.db2.gz WFNKZWPMPYCRRG-QAPCUYQASA-N 1 3 301.434 2.315 20 0 DEADHO c1ccc(OC[C@@]23CCC[C@@H]2C[N@H+](C2CCNCC2)C3)nc1 ZINC001246729450 1141046437 /nfs/dbraw/zinc/04/64/37/1141046437.db2.gz WFNKZWPMPYCRRG-QAPCUYQASA-N 1 3 301.434 2.315 20 0 DEADHO C[C@@H]1C[C@@H](N2CCN[C@@H](c3cccc(Br)c3)C2)C[NH2+]1 ZINC001246806411 1141068587 /nfs/dbraw/zinc/06/85/87/1141068587.db2.gz MXTUIYCQWABQNO-KCPJHIHWSA-N 1 3 324.266 2.146 20 0 DEADHO CCOC(=O)c1ccc(C[C@H](C)N2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1 ZINC001246840705 1141083302 /nfs/dbraw/zinc/08/33/02/1141083302.db2.gz JIDNYCBNBWZHPJ-RUGDWHBFSA-N 1 3 316.445 2.463 20 0 DEADHO COC(=O)[C@H]1CCN([C@@H]2CC[NH2+][C@@H](C)C2)[C@H]1c1ccccc1 ZINC001247003564 1141237299 /nfs/dbraw/zinc/23/72/99/1141237299.db2.gz WREXALDGGHVLQH-ORQFMDKSSA-N 1 3 302.418 2.363 20 0 DEADHO C[C@H]1CN(CCCC[NH2+]Cc2cccnc2N(C)C)C[C@H](C)O1 ZINC001323376576 1141847584 /nfs/dbraw/zinc/84/75/84/1141847584.db2.gz IRBJJIALMXTFAM-HOTGVXAUSA-N 1 3 320.481 2.127 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@H](O)COc1cccc(F)c1)C2 ZINC001250826746 1142328542 /nfs/dbraw/zinc/32/85/42/1142328542.db2.gz LAILXRQLJICDRA-YVSFHVDLSA-N 1 3 322.424 2.170 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@H](O)COc1cccc(F)c1)C2 ZINC001250826746 1142328550 /nfs/dbraw/zinc/32/85/50/1142328550.db2.gz LAILXRQLJICDRA-YVSFHVDLSA-N 1 3 322.424 2.170 20 0 DEADHO O[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)COc1ccccc1 ZINC001251248131 1142407067 /nfs/dbraw/zinc/40/70/67/1142407067.db2.gz ZXDZPJJSRIGSSS-SFHVURJKSA-N 1 3 318.461 2.423 20 0 DEADHO O[C@H](C[NH2+]CCCN1CCCCC1)COc1ccc(F)cc1 ZINC001251946484 1142557840 /nfs/dbraw/zinc/55/78/40/1142557840.db2.gz ZRVLKWCIHSPOQY-MRXNPFEDSA-N 1 3 310.413 2.031 20 0 DEADHO O=C(CCNC[C@@H]1CCC[N@H+](CC2CC2)C1)Nc1cccnc1 ZINC001336805892 1142579764 /nfs/dbraw/zinc/57/97/64/1142579764.db2.gz XTDCMPFNCCMSKW-INIZCTEOSA-N 1 3 316.449 2.122 20 0 DEADHO O=C(CCNC[C@@H]1CCC[N@@H+](CC2CC2)C1)Nc1cccnc1 ZINC001336805892 1142579780 /nfs/dbraw/zinc/57/97/80/1142579780.db2.gz XTDCMPFNCCMSKW-INIZCTEOSA-N 1 3 316.449 2.122 20 0 DEADHO CC[NH+](CC)C[C@H](O)CNCCc1c[nH]c2cc(OC)ccc12 ZINC001253214948 1142855427 /nfs/dbraw/zinc/85/54/27/1142855427.db2.gz TXUQDYPPJVBLML-OAHLLOKOSA-N 1 3 319.449 2.011 20 0 DEADHO O[C@H](CCOCc1ccccc1)C[NH2+]CCCN1CCCC1 ZINC001253258749 1142858098 /nfs/dbraw/zinc/85/80/98/1142858098.db2.gz OHSHKNRYQXTINK-GOSISDBHSA-N 1 3 306.450 2.030 20 0 DEADHO O[C@H](CCOCc1ccccc1)CNCCC[NH+]1CCCC1 ZINC001253258749 1142858102 /nfs/dbraw/zinc/85/81/02/1142858102.db2.gz OHSHKNRYQXTINK-GOSISDBHSA-N 1 3 306.450 2.030 20 0 DEADHO CC(C)Oc1ccccc1OC[C@H](O)C[N@H+](C)CCCN(C)C ZINC001253987848 1143019411 /nfs/dbraw/zinc/01/94/11/1143019411.db2.gz TZNAFLBJMZOIHX-MRXNPFEDSA-N 1 3 324.465 2.097 20 0 DEADHO CC(C)Oc1ccccc1OC[C@H](O)C[N@@H+](C)CCCN(C)C ZINC001253987848 1143019420 /nfs/dbraw/zinc/01/94/20/1143019420.db2.gz TZNAFLBJMZOIHX-MRXNPFEDSA-N 1 3 324.465 2.097 20 0 DEADHO c1cn(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nn1 ZINC001255124010 1143432677 /nfs/dbraw/zinc/43/26/77/1143432677.db2.gz ZBVURIWZGGOBMK-NNZMDNLPSA-N 1 3 311.433 2.063 20 0 DEADHO c1cn(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nn1 ZINC001255124010 1143432696 /nfs/dbraw/zinc/43/26/96/1143432696.db2.gz ZBVURIWZGGOBMK-NNZMDNLPSA-N 1 3 311.433 2.063 20 0 DEADHO O=C(NCC[NH2+]C1CCCCCC1)c1cc2c(s1)CNCC2 ZINC001341364092 1143589556 /nfs/dbraw/zinc/58/95/56/1143589556.db2.gz PYHJFARRCPHYSP-UHFFFAOYSA-N 1 3 321.490 2.436 20 0 DEADHO CCN(CC)CC[C@@H](C)[NH2+]CC1CCN(c2ncccn2)CC1 ZINC001255953077 1143816708 /nfs/dbraw/zinc/81/67/08/1143816708.db2.gz IGVNWCRXDJTVAD-MRXNPFEDSA-N 1 3 319.497 2.403 20 0 DEADHO CCN(CC)CC[C@@H](C)[NH+]1CCC2(CCN(CC)C2=O)CC1 ZINC001255970778 1143818054 /nfs/dbraw/zinc/81/80/54/1143818054.db2.gz FTQWORHWKGVFHY-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)(C)N1CCC([NH2+]CCOc2ccccc2C(N)=O)CC1 ZINC001256564068 1143854256 /nfs/dbraw/zinc/85/42/56/1143854256.db2.gz QCPJKBXTRLHTLL-UHFFFAOYSA-N 1 3 319.449 2.017 20 0 DEADHO COc1cccc2c1CC[C@H]([N@@H+]1C[C@H]3CCN(C)C[C@H]3C1)C2 ZINC001256646610 1143859832 /nfs/dbraw/zinc/85/98/32/1143859832.db2.gz AFYWCISXLBTALN-IKGGRYGDSA-N 1 3 300.446 2.436 20 0 DEADHO COc1cccc2c1CC[C@H]([N@H+]1C[C@H]3CCN(C)C[C@H]3C1)C2 ZINC001256646610 1143859833 /nfs/dbraw/zinc/85/98/33/1143859833.db2.gz AFYWCISXLBTALN-IKGGRYGDSA-N 1 3 300.446 2.436 20 0 DEADHO c1nn2ccccc2c1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256686745 1143862278 /nfs/dbraw/zinc/86/22/78/1143862278.db2.gz CTUIGVGOPIERAZ-UHFFFAOYSA-N 1 3 314.433 2.067 20 0 DEADHO CCC[NH+]1CCC(N2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)CC1 ZINC001258776547 1144041014 /nfs/dbraw/zinc/04/10/14/1144041014.db2.gz DMLDDWFOYZEVEN-GDBMZVCRSA-N 1 3 323.481 2.412 20 0 DEADHO CCC[NH+]1CCC(N2CCC3(CC(=O)N(CC)C3)CC2)CC1 ZINC001258778194 1144041474 /nfs/dbraw/zinc/04/14/74/1144041474.db2.gz ZFLXHFROCBBPGU-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)C1CCC([N@H+]2CCC(=O)N(CCN(C)C)CC2)CC1 ZINC001258805230 1144043012 /nfs/dbraw/zinc/04/30/12/1144043012.db2.gz JLLBOJWMGYSZBS-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C1CCC([N@@H+]2CCC(=O)N(CCN(C)C)CC2)CC1 ZINC001258805230 1144043017 /nfs/dbraw/zinc/04/30/17/1144043017.db2.gz JLLBOJWMGYSZBS-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](CNCCC(=O)Nc2ccccc2F)C1 ZINC001353277828 1151821021 /nfs/dbraw/zinc/82/10/21/1151821021.db2.gz MRYXSALHWJSGSS-CQSZACIVSA-N 1 3 307.413 2.474 20 0 DEADHO CC(C)[N@H+]1CC[C@H](CNCCC(=O)Nc2ccccc2F)C1 ZINC001353277828 1151821025 /nfs/dbraw/zinc/82/10/25/1151821025.db2.gz MRYXSALHWJSGSS-CQSZACIVSA-N 1 3 307.413 2.474 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]CCc2cccs2)C1 ZINC001266040100 1144797764 /nfs/dbraw/zinc/79/77/64/1144797764.db2.gz IRTZLIGLJUOFNL-HNNXBMFYSA-N 1 3 323.506 2.069 20 0 DEADHO CCCCC[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C[C@H]1C ZINC001281687494 1144908298 /nfs/dbraw/zinc/90/82/98/1144908298.db2.gz ZBMNYJRNEDFAFX-HIFRSBDPSA-N 1 3 306.454 2.420 20 0 DEADHO CCCCC[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C[C@H]1C ZINC001281687494 1144908302 /nfs/dbraw/zinc/90/83/02/1144908302.db2.gz ZBMNYJRNEDFAFX-HIFRSBDPSA-N 1 3 306.454 2.420 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001364401883 1145225224 /nfs/dbraw/zinc/22/52/24/1145225224.db2.gz YFXUUNJRKPGKOZ-DLBZAZTESA-N 1 3 307.482 2.384 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001364401883 1145225234 /nfs/dbraw/zinc/22/52/34/1145225234.db2.gz YFXUUNJRKPGKOZ-DLBZAZTESA-N 1 3 307.482 2.384 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC001364479541 1145283948 /nfs/dbraw/zinc/28/39/48/1145283948.db2.gz TZSMOBZUECEGFE-MRXNPFEDSA-N 1 3 324.513 2.425 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC001364760358 1145544761 /nfs/dbraw/zinc/54/47/61/1145544761.db2.gz RGQGMFQNHHYVSP-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC001364760358 1145544767 /nfs/dbraw/zinc/54/47/67/1145544767.db2.gz RGQGMFQNHHYVSP-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+][C@H]2COC[C@@H]2C2CC2)CC1 ZINC001364772711 1145554211 /nfs/dbraw/zinc/55/42/11/1145554211.db2.gz RUILKEMOZKJQPG-UMQBVGHOSA-N 1 3 308.466 2.035 20 0 DEADHO CC(C)(C)OC(=O)N[C@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001364926195 1145681379 /nfs/dbraw/zinc/68/13/79/1145681379.db2.gz UYUOMTZHUFVVSN-ZQDZILKHSA-N 1 3 309.454 2.259 20 0 DEADHO CC(C)(C)OC(=O)N[C@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC001364926195 1145681399 /nfs/dbraw/zinc/68/13/99/1145681399.db2.gz UYUOMTZHUFVVSN-ZQDZILKHSA-N 1 3 309.454 2.259 20 0 DEADHO COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]C[C@H]3CCCN(CC4CC4)C3)[C@@H]2C1 ZINC001364982789 1145730683 /nfs/dbraw/zinc/73/06/83/1145730683.db2.gz FRYOGAOJBYXFQG-ZKXLYKBJSA-N 1 3 320.477 2.286 20 0 DEADHO C[C@H](NCCF)[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001365925518 1146913028 /nfs/dbraw/zinc/91/30/28/1146913028.db2.gz IUZHQCODGHJNTN-HOTGVXAUSA-N 1 3 313.461 2.191 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001491855876 1146922823 /nfs/dbraw/zinc/92/28/23/1146922823.db2.gz LILZSAKXMGKJGH-GOSISDBHSA-N 1 3 317.477 2.273 20 0 DEADHO CCCN(C(=O)Cc1c[nH]cn1)C1CC[NH+](CC2CCC2)CC1 ZINC001366014072 1147008460 /nfs/dbraw/zinc/00/84/60/1147008460.db2.gz TWXUBTBDLCNQJF-UHFFFAOYSA-N 1 3 318.465 2.455 20 0 DEADHO CC[C@H](F)CN1CCC2(C[C@@H]2NC(=O)CC[N@H+](C)CC)CC1 ZINC001366013643 1147008868 /nfs/dbraw/zinc/00/88/68/1147008868.db2.gz FRSZOXGEWLEIIZ-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](F)CN1CCC2(C[C@@H]2NC(=O)CC[N@@H+](C)CC)CC1 ZINC001366013643 1147008872 /nfs/dbraw/zinc/00/88/72/1147008872.db2.gz FRSZOXGEWLEIIZ-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001366115518 1147062716 /nfs/dbraw/zinc/06/27/16/1147062716.db2.gz CPYSOHTVLMCIES-KZNAEPCWSA-N 1 3 317.477 2.380 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001366226689 1147131981 /nfs/dbraw/zinc/13/19/81/1147131981.db2.gz NHNBOTHTNQERLU-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001366226689 1147131987 /nfs/dbraw/zinc/13/19/87/1147131987.db2.gz NHNBOTHTNQERLU-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO CCC(CC)C[NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001366230899 1147138588 /nfs/dbraw/zinc/13/85/88/1147138588.db2.gz WLJSAZPVIAITTH-MRXNPFEDSA-N 1 3 306.454 2.359 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001366292641 1147196243 /nfs/dbraw/zinc/19/62/43/1147196243.db2.gz HFZQRVGDWZPQQC-IUODEOHRSA-N 1 3 311.857 2.275 20 0 DEADHO Cc1cc(C)cc(C[N@@H+](C)CCNC(=O)CN(C)C2CCC2)c1 ZINC001492280112 1147197875 /nfs/dbraw/zinc/19/78/75/1147197875.db2.gz QTJSYRONGUXXCJ-UHFFFAOYSA-N 1 3 317.477 2.336 20 0 DEADHO Cc1cc(C)cc(C[N@H+](C)CCNC(=O)CN(C)C2CCC2)c1 ZINC001492280112 1147197877 /nfs/dbraw/zinc/19/78/77/1147197877.db2.gz QTJSYRONGUXXCJ-UHFFFAOYSA-N 1 3 317.477 2.336 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H](C)NCc1ccccc1F)[NH+](C)C ZINC001366350130 1147228761 /nfs/dbraw/zinc/22/87/61/1147228761.db2.gz YTQDAILHPSDZMO-XJKSGUPXSA-N 1 3 309.429 2.006 20 0 DEADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001366477904 1147301397 /nfs/dbraw/zinc/30/13/97/1147301397.db2.gz PLICMFRCZGJJSC-WMLDXEAASA-N 1 3 323.456 2.459 20 0 DEADHO CC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cccc(F)c1)N(C)C ZINC001366481170 1147303463 /nfs/dbraw/zinc/30/34/63/1147303463.db2.gz UVPBEMACJQROEC-CZUORRHYSA-N 1 3 309.429 2.150 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](C)CC1CC2(CCC2)C1 ZINC001366594128 1147379127 /nfs/dbraw/zinc/37/91/27/1147379127.db2.gz CYLHKTPXHIELRE-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](C)CC1CC2(CCC2)C1 ZINC001366594128 1147379131 /nfs/dbraw/zinc/37/91/31/1147379131.db2.gz CYLHKTPXHIELRE-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC[N@H+](C)CCC2CC2)c1 ZINC001366597735 1147382054 /nfs/dbraw/zinc/38/20/54/1147382054.db2.gz UCIPZGTYXQTNOJ-UHFFFAOYSA-N 1 3 303.450 2.210 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC[N@@H+](C)CCC2CC2)c1 ZINC001366597735 1147382060 /nfs/dbraw/zinc/38/20/60/1147382060.db2.gz UCIPZGTYXQTNOJ-UHFFFAOYSA-N 1 3 303.450 2.210 20 0 DEADHO CN(C)C1(C(=O)NCC[N@H+](CC2CCCC2)C2CC2)CCC1 ZINC001366746990 1147533719 /nfs/dbraw/zinc/53/37/19/1147533719.db2.gz VMYAEXXYUAEFQK-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C)C1(C(=O)NCC[N@@H+](CC2CCCC2)C2CC2)CCC1 ZINC001366746990 1147533728 /nfs/dbraw/zinc/53/37/28/1147533728.db2.gz VMYAEXXYUAEFQK-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)CC[N@H+](C)C[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001366865607 1147598607 /nfs/dbraw/zinc/59/86/07/1147598607.db2.gz LIRMZMPWRAOUHO-DLBZAZTESA-N 1 3 309.498 2.155 20 0 DEADHO CC(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001366865607 1147598609 /nfs/dbraw/zinc/59/86/09/1147598609.db2.gz LIRMZMPWRAOUHO-DLBZAZTESA-N 1 3 309.498 2.155 20 0 DEADHO CC(C)CCC[NH+]1CC(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001366965848 1147626323 /nfs/dbraw/zinc/62/63/23/1147626323.db2.gz YLSIOXDSJVKBKG-KRWDZBQOSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1cc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCN2C)c(C)s1 ZINC001367354648 1147683059 /nfs/dbraw/zinc/68/30/59/1147683059.db2.gz ICDONUYTBRZRBM-BLLLJJGKSA-N 1 3 323.506 2.396 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCN2C)cc1F ZINC001367366291 1147684426 /nfs/dbraw/zinc/68/44/26/1147684426.db2.gz ZVVOCUTVSCOBOA-WMLDXEAASA-N 1 3 321.440 2.165 20 0 DEADHO C[C@@H](CNCc1ccccc1F)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001367381346 1147686766 /nfs/dbraw/zinc/68/67/66/1147686766.db2.gz LKVJMSFAOLTPEU-CABCVRRESA-N 1 3 321.440 2.104 20 0 DEADHO C[C@@H](CNCc1ccccc1F)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001367381346 1147686768 /nfs/dbraw/zinc/68/67/68/1147686768.db2.gz LKVJMSFAOLTPEU-CABCVRRESA-N 1 3 321.440 2.104 20 0 DEADHO CC(C)[C@@H](CNC(=O)CC[NH+](C)C)NCc1ccccc1F ZINC001367484866 1147700857 /nfs/dbraw/zinc/70/08/57/1147700857.db2.gz WQQQUPWAPCJAJY-MRXNPFEDSA-N 1 3 309.429 2.008 20 0 DEADHO C[C@H](C[NH2+][C@H](C)c1cccc(F)c1)NC(=O)C1(N(C)C)CCC1 ZINC001367675075 1147725574 /nfs/dbraw/zinc/72/55/74/1147725574.db2.gz MEOMJHYBPDIESB-ZIAGYGMSSA-N 1 3 321.440 2.465 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001367679906 1147726013 /nfs/dbraw/zinc/72/60/13/1147726013.db2.gz HUFXKCQEBHKFHE-IUODEOHRSA-N 1 3 311.857 2.275 20 0 DEADHO CN(CC[NH2+]Cc1ccc(Cl)cc1)C(=O)CN(C)C1CCC1 ZINC001317595659 1147730733 /nfs/dbraw/zinc/73/07/33/1147730733.db2.gz HIAFNEGVBQTYTR-UHFFFAOYSA-N 1 3 323.868 2.372 20 0 DEADHO CN(C)C1(C(=O)N(C)CC[NH2+]CC2CC3(CCC3)C2)CCC1 ZINC001317596931 1147730887 /nfs/dbraw/zinc/73/08/87/1147730887.db2.gz XYUDKRZDHFXWLE-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNCc1ccsc1 ZINC001317602957 1147731770 /nfs/dbraw/zinc/73/17/70/1147731770.db2.gz HYBVJDVSEYXSIF-MRXNPFEDSA-N 1 3 323.506 2.417 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)CCNCc1ccsc1 ZINC001317602957 1147731771 /nfs/dbraw/zinc/73/17/71/1147731771.db2.gz HYBVJDVSEYXSIF-MRXNPFEDSA-N 1 3 323.506 2.417 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001317651952 1147739171 /nfs/dbraw/zinc/73/91/71/1147739171.db2.gz ARLGJXMHOQCYAK-KRWDZBQOSA-N 1 3 323.456 2.290 20 0 DEADHO C[C@@H](CN(C)Cc1ccc2cc[nH]c2c1)NC(=O)CC[NH+](C)C ZINC001367838687 1147757382 /nfs/dbraw/zinc/75/73/82/1147757382.db2.gz XDLPZYFZBCFGIE-AWEZNQCLSA-N 1 3 316.449 2.056 20 0 DEADHO Cc1ccccc1[C@H](C)N1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001367959817 1147804370 /nfs/dbraw/zinc/80/43/70/1147804370.db2.gz BDQPWDSCSHQTBZ-HOTGVXAUSA-N 1 3 303.450 2.198 20 0 DEADHO CN(CC(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CC1)C1CCC1 ZINC001368004477 1147824969 /nfs/dbraw/zinc/82/49/69/1147824969.db2.gz WKBAJEDDQODXRT-UHFFFAOYSA-N 1 3 319.493 2.289 20 0 DEADHO CN(C)CCN(C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000176142175 282090184 /nfs/dbraw/zinc/09/01/84/282090184.db2.gz AWJOFVIOGVRETB-UHFFFAOYSA-N 1 3 324.513 2.378 20 0 DEADHO CN1CCC(O)(C[NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000278490606 214187982 /nfs/dbraw/zinc/18/79/82/214187982.db2.gz LEZGZFUKRXDJPW-UHFFFAOYSA-N 1 3 314.832 2.458 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccccc2CO)[C@H](C)C1 ZINC000151786527 282126594 /nfs/dbraw/zinc/12/65/94/282126594.db2.gz NOOBXJRFGVVGQY-VQIMIIECSA-N 1 3 320.477 2.406 20 0 DEADHO COC[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)OC ZINC000278631630 214290469 /nfs/dbraw/zinc/29/04/69/214290469.db2.gz GYYUHHBOABTXMX-RDGPPVDQSA-N 1 3 318.461 2.433 20 0 DEADHO COC[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)OC ZINC000278631630 214290470 /nfs/dbraw/zinc/29/04/70/214290470.db2.gz GYYUHHBOABTXMX-RDGPPVDQSA-N 1 3 318.461 2.433 20 0 DEADHO CC[C@@H]([NH3+])CNC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000417627839 529559842 /nfs/dbraw/zinc/55/98/42/529559842.db2.gz ONYNJFOPHDLFOB-DZGCQCFKSA-N 1 3 306.454 2.152 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000417824218 529616343 /nfs/dbraw/zinc/61/63/43/529616343.db2.gz AXZUNYHFVVERRR-CVEARBPZSA-N 1 3 303.450 2.143 20 0 DEADHO CC[C@H](N[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])c1ccc2c(c1)OCCO2 ZINC000422939727 529659638 /nfs/dbraw/zinc/65/96/38/529659638.db2.gz IJGPSMIPBFLHFA-DMRZNYOFSA-N 1 3 320.433 2.251 20 0 DEADHO CN(C)CCNC(=O)c1ccc(C[NH2+]C(C2CC2)C2CC2)cc1 ZINC000090038830 185279348 /nfs/dbraw/zinc/27/93/48/185279348.db2.gz DTVKKUNISCARIL-UHFFFAOYSA-N 1 3 315.461 2.256 20 0 DEADHO Cc1cccc(C[NH+]2CCC(C(=O)NCCN(C)C)CC2)c1C ZINC000092615674 185328984 /nfs/dbraw/zinc/32/89/84/185328984.db2.gz FRIAQWZHAPLSMK-UHFFFAOYSA-N 1 3 317.477 2.193 20 0 DEADHO C[NH2+]CCCNC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000417701444 529968159 /nfs/dbraw/zinc/96/81/59/529968159.db2.gz JRWYGMUCPKYSNY-AWEZNQCLSA-N 1 3 306.454 2.025 20 0 DEADHO C[NH2+][C@@H]1CCCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000418161507 530044119 /nfs/dbraw/zinc/04/41/19/530044119.db2.gz BVQQRMWSFGJXFW-UAGQMJEPSA-N 1 3 318.465 2.071 20 0 DEADHO CN1CCC[C@H](CNC(=O)NCC(C)(C)[NH3+])[C@H]1c1cccs1 ZINC000417741638 530061182 /nfs/dbraw/zinc/06/11/82/530061182.db2.gz UYKDUVVVSXPMCH-OCCSQVGLSA-N 1 3 324.494 2.168 20 0 DEADHO CCC[NH+]1CCC(NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000123901291 539466922 /nfs/dbraw/zinc/46/69/22/539466922.db2.gz KGLJENUMXLMUMU-HOTGVXAUSA-N 1 3 311.514 2.338 20 0 DEADHO COC[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)OC ZINC000272693790 210099299 /nfs/dbraw/zinc/09/92/99/210099299.db2.gz QFOVZRCGLKKOCE-CADBVGFASA-N 1 3 318.461 2.148 20 0 DEADHO COC[C@H](CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)OC ZINC000272693790 210099302 /nfs/dbraw/zinc/09/93/02/210099302.db2.gz QFOVZRCGLKKOCE-CADBVGFASA-N 1 3 318.461 2.148 20 0 DEADHO COC[C@H](CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)OC ZINC000272693790 210099303 /nfs/dbraw/zinc/09/93/03/210099303.db2.gz QFOVZRCGLKKOCE-CADBVGFASA-N 1 3 318.461 2.148 20 0 DEADHO C[C@@H](C(=O)N1C[C@H]([NH3+])Cc2ccccc21)N1CCCCCC1 ZINC000424085946 295756349 /nfs/dbraw/zinc/75/63/49/295756349.db2.gz ZGPMQOXROVVMDN-GOEBONIOSA-N 1 3 301.434 2.168 20 0 DEADHO C[C@@H](CCN(C)CC1CCOCC1)[N@H+](C)CC1CCOCC1 ZINC000156078676 539562688 /nfs/dbraw/zinc/56/26/88/539562688.db2.gz JCUBJJYFNRTZSZ-INIZCTEOSA-N 1 3 312.498 2.482 20 0 DEADHO C[C@@H](CCN(C)CC1CCOCC1)[N@@H+](C)CC1CCOCC1 ZINC000156078676 539562693 /nfs/dbraw/zinc/56/26/93/539562693.db2.gz JCUBJJYFNRTZSZ-INIZCTEOSA-N 1 3 312.498 2.482 20 0 DEADHO COc1ccc(OC)c(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166361259 539608849 /nfs/dbraw/zinc/60/88/49/539608849.db2.gz PDDHDHFQHGXDPB-JKSUJKDBSA-N 1 3 304.434 2.463 20 0 DEADHO COc1ccc(OC)c(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166361259 539608851 /nfs/dbraw/zinc/60/88/51/539608851.db2.gz PDDHDHFQHGXDPB-JKSUJKDBSA-N 1 3 304.434 2.463 20 0 DEADHO C[C@H]([NH2+]CC1(CO)CCC1)c1cccc(OCCN(C)C)c1 ZINC000184535785 539668689 /nfs/dbraw/zinc/66/86/89/539668689.db2.gz JSQMBGLENUETPE-HNNXBMFYSA-N 1 3 306.450 2.440 20 0 DEADHO CC(C)C[C@@H](N)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000236696248 539738738 /nfs/dbraw/zinc/73/87/38/539738738.db2.gz NBQRLFIMICRZIC-DLBZAZTESA-N 1 3 309.498 2.474 20 0 DEADHO CC(C)C[C@@H](N)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000236696210 539738560 /nfs/dbraw/zinc/73/85/60/539738560.db2.gz WXZGDZUNJXZZBS-DLBZAZTESA-N 1 3 309.498 2.330 20 0 DEADHO [NH3+]C1(CC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CCC1 ZINC000238005147 539752730 /nfs/dbraw/zinc/75/27/30/539752730.db2.gz GNVULNWBADNCNZ-INIZCTEOSA-N 1 3 301.434 2.211 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H](N)c1ccccc1 ZINC000237458838 186292858 /nfs/dbraw/zinc/29/28/58/186292858.db2.gz CTGXUHGTZIAGIK-PQEBFOHHSA-N 1 3 301.434 2.066 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H](N)c1ccccc1 ZINC000237458838 186292860 /nfs/dbraw/zinc/29/28/60/186292860.db2.gz CTGXUHGTZIAGIK-PQEBFOHHSA-N 1 3 301.434 2.066 20 0 DEADHO CCN1CCN(CCC[NH2+]Cc2ccc(C(C)(C)O)cc2)CC1 ZINC000296792541 186699832 /nfs/dbraw/zinc/69/98/32/186699832.db2.gz SWIOXSBESPUYOJ-UHFFFAOYSA-N 1 3 319.493 2.031 20 0 DEADHO CC(C)C[C@H](CNC(=O)c1cccc2c1CCNC2)[NH+](C)C ZINC000317885786 539890418 /nfs/dbraw/zinc/89/04/18/539890418.db2.gz VFPCXGSFEKGMKR-OAHLLOKOSA-N 1 3 303.450 2.038 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000172825672 198154490 /nfs/dbraw/zinc/15/44/90/198154490.db2.gz SPZXAZSVYCZVRX-KRWDZBQOSA-N 1 3 318.465 2.032 20 0 DEADHO COc1ccccc1C[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(C)C ZINC000320277276 539896004 /nfs/dbraw/zinc/89/60/04/539896004.db2.gz ZJOOQDHPXQHHAW-WBVHZDCISA-N 1 3 308.466 2.259 20 0 DEADHO COc1ccccc1C[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(C)C ZINC000320277276 539896006 /nfs/dbraw/zinc/89/60/06/539896006.db2.gz ZJOOQDHPXQHHAW-WBVHZDCISA-N 1 3 308.466 2.259 20 0 DEADHO C[C@@H](O)CCN(C)Cc1cccc(C[N@H+](C)CC[C@H](C)O)c1 ZINC000072712629 191218453 /nfs/dbraw/zinc/21/84/53/191218453.db2.gz RYYZOFLPNYOWDH-IYBDPMFKSA-N 1 3 308.466 2.092 20 0 DEADHO C[C@@H](O)CCN(C)Cc1cccc(C[N@@H+](C)CC[C@H](C)O)c1 ZINC000072712629 191218456 /nfs/dbraw/zinc/21/84/56/191218456.db2.gz RYYZOFLPNYOWDH-IYBDPMFKSA-N 1 3 308.466 2.092 20 0 DEADHO C[C@@H](O)CC[N@@H+](C)Cc1cccc(CN(C)CC[C@H](C)O)c1 ZINC000072712629 191218459 /nfs/dbraw/zinc/21/84/59/191218459.db2.gz RYYZOFLPNYOWDH-IYBDPMFKSA-N 1 3 308.466 2.092 20 0 DEADHO C[C@@H](O)CC[N@H+](C)Cc1cccc(CN(C)CC[C@H](C)O)c1 ZINC000072712629 191218462 /nfs/dbraw/zinc/21/84/62/191218462.db2.gz RYYZOFLPNYOWDH-IYBDPMFKSA-N 1 3 308.466 2.092 20 0 DEADHO COC(=O)CCCN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174402598 198330689 /nfs/dbraw/zinc/33/06/89/198330689.db2.gz WVFCWTWTVPRDDS-QGZVFWFLSA-N 1 3 304.434 2.394 20 0 DEADHO COC(=O)CCCN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174402598 198330691 /nfs/dbraw/zinc/33/06/91/198330691.db2.gz WVFCWTWTVPRDDS-QGZVFWFLSA-N 1 3 304.434 2.394 20 0 DEADHO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000174411376 198331757 /nfs/dbraw/zinc/33/17/57/198331757.db2.gz FCEPJQFGVUXFGV-RHSMWYFYSA-N 1 3 303.450 2.256 20 0 DEADHO CCN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@@H]1CCN(CC)C1 ZINC000617925342 363310472 /nfs/dbraw/zinc/31/04/72/363310472.db2.gz JWAJSOFVUONPLB-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@H]1CCC[C@](CNC(=O)NCCN2CCCCC2)([NH+](C)C)C1 ZINC000052518983 354405314 /nfs/dbraw/zinc/40/53/14/354405314.db2.gz VJNJELQBDVWFBU-AEFFLSMTSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@@H](C[NH2+]Cc1ccc(OCCN(C)C)cc1)Cn1ccnc1 ZINC000067500961 354764838 /nfs/dbraw/zinc/76/48/38/354764838.db2.gz AUJWZSYEKNDQGQ-INIZCTEOSA-N 1 3 316.449 2.249 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000352089092 540060580 /nfs/dbraw/zinc/06/05/80/540060580.db2.gz HFBPEAMQAQFDSW-INIZCTEOSA-N 1 3 312.502 2.234 20 0 DEADHO CC(C)[NH2+]CC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000379663389 540122355 /nfs/dbraw/zinc/12/23/55/540122355.db2.gz LEXFOMZZUUVYLM-WBVHZDCISA-N 1 3 303.450 2.154 20 0 DEADHO CCC[C@H]([NH3+])C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000382695449 540123873 /nfs/dbraw/zinc/12/38/73/540123873.db2.gz JMJDYUUSUPVFCN-WBVHZDCISA-N 1 3 303.450 2.237 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414931087 540157711 /nfs/dbraw/zinc/15/77/11/540157711.db2.gz UCCFPMMTDJJIJX-GUTXKFCHSA-N 1 3 305.422 2.272 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[C@@H](N)C2)cc1 ZINC000414931087 540157714 /nfs/dbraw/zinc/15/77/14/540157714.db2.gz UCCFPMMTDJJIJX-GUTXKFCHSA-N 1 3 305.422 2.272 20 0 DEADHO C[NH2+]CCN(C)C(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000418044439 540169747 /nfs/dbraw/zinc/16/97/47/540169747.db2.gz ZZHSHFCWQOVOCS-QGZVFWFLSA-N 1 3 320.481 2.004 20 0 DEADHO COC[C@]1(C)CCN(CC[C@H](C)[N@@H+]2CC[C@](C)(COC)C2)C1 ZINC000451203560 540189571 /nfs/dbraw/zinc/18/95/71/540189571.db2.gz QGIUODWYFRZWRE-KSZLIROESA-N 1 3 312.498 2.482 20 0 DEADHO COC[C@]1(C)CCN(CC[C@H](C)[N@H+]2CC[C@](C)(COC)C2)C1 ZINC000451203560 540189573 /nfs/dbraw/zinc/18/95/73/540189573.db2.gz QGIUODWYFRZWRE-KSZLIROESA-N 1 3 312.498 2.482 20 0 DEADHO COC[C@]1(C)CC[N@@H+](CC[C@H](C)N2CC[C@](C)(COC)C2)C1 ZINC000451203560 540189575 /nfs/dbraw/zinc/18/95/75/540189575.db2.gz QGIUODWYFRZWRE-KSZLIROESA-N 1 3 312.498 2.482 20 0 DEADHO COC[C@]1(C)CC[N@H+](CC[C@H](C)N2CC[C@](C)(COC)C2)C1 ZINC000451203560 540189576 /nfs/dbraw/zinc/18/95/76/540189576.db2.gz QGIUODWYFRZWRE-KSZLIROESA-N 1 3 312.498 2.482 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)C[C@@H]1CCc2ccccc21 ZINC000115371144 355768578 /nfs/dbraw/zinc/76/85/78/355768578.db2.gz RCYQGCCEEBLZCJ-KRWDZBQOSA-N 1 3 317.477 2.058 20 0 DEADHO CC(C)N1CCC[C@H](C[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000125844839 355813249 /nfs/dbraw/zinc/81/32/49/355813249.db2.gz CTSXDJAMZCYNMI-CQSZACIVSA-N 1 3 303.441 2.426 20 0 DEADHO CC[C@@H]([NH3+])C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000130487006 355842292 /nfs/dbraw/zinc/84/22/92/355842292.db2.gz XJMKQDFRIJTFKF-MRXNPFEDSA-N 1 3 323.868 2.406 20 0 DEADHO CN1CC[C@H]2CCN(C(=O)NCC[NH2+]C3CCCCCC3)[C@H]2C1 ZINC000418457139 283148051 /nfs/dbraw/zinc/14/80/51/283148051.db2.gz GORWNNUTBMWLMV-RDJZCZTQSA-N 1 3 322.497 2.034 20 0 DEADHO CCC(CC)[C@@H](CNC(=O)NCCN(C)CC)[NH+]1CCCC1 ZINC000194832926 356245034 /nfs/dbraw/zinc/24/50/34/356245034.db2.gz KULABGFYFIZKJB-MRXNPFEDSA-N 1 3 312.502 2.138 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)[C@H](N)CC(C)C)Cc1ccccc1 ZINC000236833237 356292034 /nfs/dbraw/zinc/29/20/34/356292034.db2.gz DVHGBDNBYFKYGR-QZTJIDSGSA-N 1 3 319.493 2.429 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)[C@H](N)CC(C)C)Cc1ccccc1 ZINC000236883612 356292091 /nfs/dbraw/zinc/29/20/91/356292091.db2.gz DVHGBDNBYFKYGR-ZWKOTPCHSA-N 1 3 319.493 2.429 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000237046272 356292957 /nfs/dbraw/zinc/29/29/57/356292957.db2.gz XMCXZNWYEQQJJY-CYBMUJFWSA-N 1 3 315.417 2.305 20 0 DEADHO C[C@H](CC[NH+](C)C)N[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401921762 283162190 /nfs/dbraw/zinc/16/21/90/283162190.db2.gz JHSRXOAJFYHZGQ-WBVHZDCISA-N 1 3 319.449 2.327 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)[C@@H](N)c2ccccc2)C1 ZINC000316262216 356428381 /nfs/dbraw/zinc/42/83/81/356428381.db2.gz FVLDLNNBLQHKFK-YQQAZPJKSA-N 1 3 303.450 2.169 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)[C@@H](N)c2ccccc2)C1 ZINC000316262216 356428387 /nfs/dbraw/zinc/42/83/87/356428387.db2.gz FVLDLNNBLQHKFK-YQQAZPJKSA-N 1 3 303.450 2.169 20 0 DEADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](N)CCSC)cc1 ZINC000236905050 202063652 /nfs/dbraw/zinc/06/36/52/202063652.db2.gz XXUALTDSQCGYPA-MRXNPFEDSA-N 1 3 323.506 2.225 20 0 DEADHO CC[C@H](N)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000236917763 202070060 /nfs/dbraw/zinc/07/00/60/202070060.db2.gz BXYUABUOUVWJHL-KRWDZBQOSA-N 1 3 303.450 2.272 20 0 DEADHO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000236963545 202097335 /nfs/dbraw/zinc/09/73/35/202097335.db2.gz UAGSPLAJOQJIRU-RHSMWYFYSA-N 1 3 317.477 2.313 20 0 DEADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)[C@@H]3C[C@@H]3N)cc2)C1 ZINC000424133442 291115062 /nfs/dbraw/zinc/11/50/62/291115062.db2.gz MJELZAVWCJFPPL-ZZCKCESHSA-N 1 3 315.461 2.128 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000236992309 202112350 /nfs/dbraw/zinc/11/23/50/202112350.db2.gz LYODFYVQFZUEJI-JQHSSLGASA-N 1 3 317.477 2.340 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000236992309 202112354 /nfs/dbraw/zinc/11/23/54/202112354.db2.gz LYODFYVQFZUEJI-JQHSSLGASA-N 1 3 317.477 2.340 20 0 DEADHO C[C@H](C(=O)N1CCC[C@H]([NH+](C)C)CC1)[C@@H](N)c1ccccc1 ZINC000423785680 283202347 /nfs/dbraw/zinc/20/23/47/283202347.db2.gz UISWZPVEEJMNFK-BHYGNILZSA-N 1 3 303.450 2.265 20 0 DEADHO C[C@@H]1CCN[C@@H](C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000423788337 283204233 /nfs/dbraw/zinc/20/42/33/283204233.db2.gz DEQHOHGBTRISQJ-SJLPKXTDSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)CC[NH2+]C2CC2)CCN1Cc1ccccc1 ZINC000379670601 356668229 /nfs/dbraw/zinc/66/82/29/356668229.db2.gz JBPMMFAHASYCHI-QAPCUYQASA-N 1 3 315.461 2.298 20 0 DEADHO CN(C)Cc1cccc(CNC(=O)CCC2CC[NH2+]CC2)c1 ZINC000237056800 202138438 /nfs/dbraw/zinc/13/84/38/202138438.db2.gz HIULWQUFQDALTC-UHFFFAOYSA-N 1 3 303.450 2.144 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](c3cccnc3)C2)CC1 ZINC000578885527 356887612 /nfs/dbraw/zinc/88/76/12/356887612.db2.gz DBTKXHWPHMXPEV-LJQANCHMSA-N 1 3 316.493 2.287 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](c3cccnc3)C2)CC1 ZINC000578885527 356887617 /nfs/dbraw/zinc/88/76/17/356887617.db2.gz DBTKXHWPHMXPEV-LJQANCHMSA-N 1 3 316.493 2.287 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@H](C)CC[NH+](C)C ZINC000352339505 283246607 /nfs/dbraw/zinc/24/66/07/283246607.db2.gz FHDJXGPYQMGCCB-MRXNPFEDSA-N 1 3 312.502 2.234 20 0 DEADHO C[C@@H](CNC(=O)N(CCN(C)C)CC1CCCCC1)[NH+](C)C ZINC000459043849 295948517 /nfs/dbraw/zinc/94/85/17/295948517.db2.gz QVMSNODONAYMCD-HNNXBMFYSA-N 1 3 312.502 2.090 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000590787305 357613308 /nfs/dbraw/zinc/61/33/08/357613308.db2.gz ZFLLLAPGMHUGBH-GOSISDBHSA-N 1 3 320.477 2.479 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000590787305 357613312 /nfs/dbraw/zinc/61/33/12/357613312.db2.gz ZFLLLAPGMHUGBH-GOSISDBHSA-N 1 3 320.477 2.479 20 0 DEADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654487556 540288271 /nfs/dbraw/zinc/28/82/71/540288271.db2.gz MQMCQJDRSSTIDK-IXDOHACOSA-N 1 3 322.497 2.177 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)N(C)C)cc1 ZINC000648752578 540282400 /nfs/dbraw/zinc/28/24/00/540282400.db2.gz BJSGDQOTFJSCNW-OIISXLGYSA-N 1 3 303.450 2.054 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)N(C)C)cc1 ZINC000648752578 540282403 /nfs/dbraw/zinc/28/24/03/540282403.db2.gz BJSGDQOTFJSCNW-OIISXLGYSA-N 1 3 303.450 2.054 20 0 DEADHO C[C@@H]1[C@H](C(=O)N(CCN(C)C)Cc2cccc(F)c2)CC[N@@H+]1C ZINC000648754318 540283070 /nfs/dbraw/zinc/28/30/70/540283070.db2.gz ACOGICYWOKIYHQ-RHSMWYFYSA-N 1 3 321.440 2.056 20 0 DEADHO C[C@@H]1[C@H](C(=O)N(CCN(C)C)Cc2cccc(F)c2)CC[N@H+]1C ZINC000648754318 540283073 /nfs/dbraw/zinc/28/30/73/540283073.db2.gz ACOGICYWOKIYHQ-RHSMWYFYSA-N 1 3 321.440 2.056 20 0 DEADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000655974233 540297784 /nfs/dbraw/zinc/29/77/84/540297784.db2.gz ODVQJVDKKOJASB-OAGGEKHMSA-N 1 3 310.486 2.018 20 0 DEADHO COC(=O)c1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)[nH]1 ZINC000592433833 357876480 /nfs/dbraw/zinc/87/64/80/357876480.db2.gz ZMSWZYSQCJMVRS-UONOGXRCSA-N 1 3 305.422 2.013 20 0 DEADHO COC(=O)c1cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c[nH]1 ZINC000592433553 357876558 /nfs/dbraw/zinc/87/65/58/357876558.db2.gz ATCGXEBHMHRSIO-HUUCEWRRSA-N 1 3 305.422 2.013 20 0 DEADHO c1nn2c(c1C[NH2+]CC1CCN(c3ccncc3)CC1)CCC2 ZINC000657425362 540306446 /nfs/dbraw/zinc/30/64/46/540306446.db2.gz IXVVJLBAWTYMON-UHFFFAOYSA-N 1 3 311.433 2.231 20 0 DEADHO CC(C)CCC[N@@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663514500 540340604 /nfs/dbraw/zinc/34/06/04/540340604.db2.gz YSSJMOSKCZMYSW-MRXNPFEDSA-N 1 3 319.497 2.435 20 0 DEADHO CC(C)CCC[N@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663514500 540340606 /nfs/dbraw/zinc/34/06/06/540340606.db2.gz YSSJMOSKCZMYSW-MRXNPFEDSA-N 1 3 319.497 2.435 20 0 DEADHO CCC[NH+]1CCC(NC(=O)N2CCCC23CCN(C)CC3)CC1 ZINC000352480479 283319588 /nfs/dbraw/zinc/31/95/88/283319588.db2.gz CMVIKKUSWCCMBN-UHFFFAOYSA-N 1 3 322.497 2.131 20 0 DEADHO CCCN1CC[C@H](NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000666926692 540364654 /nfs/dbraw/zinc/36/46/54/540364654.db2.gz WEWRRCLCVAETGK-IRXDYDNUSA-N 1 3 322.497 2.131 20 0 DEADHO C[C@H](C(=O)NCCCC[NH3+])N1CCC(Cc2ccccc2)CC1 ZINC000237406330 202256769 /nfs/dbraw/zinc/25/67/69/202256769.db2.gz UDCKPQHKSURPAV-MRXNPFEDSA-N 1 3 317.477 2.185 20 0 DEADHO C[C@@H](NC(C)(C)CNC(=O)[C@@]1(C)CC[NH2+]C1)c1ccccc1 ZINC000237384269 202249685 /nfs/dbraw/zinc/24/96/85/202249685.db2.gz ZQFSTCKNIUEGNE-KDOFPFPSSA-N 1 3 303.450 2.232 20 0 DEADHO CC[N@@H+]1CC[C@@H](N[C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000496119741 283365972 /nfs/dbraw/zinc/36/59/72/283365972.db2.gz LWPDFYOVHJXJQE-SOUVJXGZSA-N 1 3 311.470 2.316 20 0 DEADHO CC[N@H+]1CC[C@@H](N[C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000496119741 283365975 /nfs/dbraw/zinc/36/59/75/283365975.db2.gz LWPDFYOVHJXJQE-SOUVJXGZSA-N 1 3 311.470 2.316 20 0 DEADHO O=C(Oc1ccccc1)N1CCC[C@H](N[C@H]2CCC[NH2+]C2)CC1 ZINC000496160557 283371998 /nfs/dbraw/zinc/37/19/98/283371998.db2.gz UMDHLPNLLVHAOF-HOTGVXAUSA-N 1 3 317.433 2.382 20 0 DEADHO C[NH+](C)CCOc1ccccc1CN[C@@H]1CO[C@H](C2CC2)C1 ZINC000667816995 540533747 /nfs/dbraw/zinc/53/37/47/540533747.db2.gz JADZFHGYHLDHIJ-WMZOPIPTSA-N 1 3 304.434 2.284 20 0 DEADHO CCOC(=O)N1CCC[C@H]([C@@H](C)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000497271303 283459936 /nfs/dbraw/zinc/45/99/36/283459936.db2.gz IZUPBXOADPROLY-AFLMIKJESA-N 1 3 309.454 2.116 20 0 DEADHO C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1cccc(OCCN(C)C)c1 ZINC000187679833 200143993 /nfs/dbraw/zinc/14/39/93/200143993.db2.gz QEXYRMGJEQNDCB-JQFCIGGWSA-N 1 3 306.450 2.437 20 0 DEADHO C[C@H](Cc1ccccc1F)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000187750672 200153022 /nfs/dbraw/zinc/15/30/22/200153022.db2.gz ARXFIAZQZBQRJB-OAHLLOKOSA-N 1 3 307.457 2.372 20 0 DEADHO CN1CCC[C@H](NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000668330423 540649578 /nfs/dbraw/zinc/64/95/78/540649578.db2.gz RKVGLHONRACLDG-ZWKOTPCHSA-N 1 3 315.461 2.076 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(C)(C)N)cc1 ZINC000237683847 202326819 /nfs/dbraw/zinc/32/68/19/202326819.db2.gz WZOSYDWTEOYXJQ-CQSZACIVSA-N 1 3 303.450 2.415 20 0 DEADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C(C)(C)N)cc1 ZINC000237683847 202326821 /nfs/dbraw/zinc/32/68/21/202326821.db2.gz WZOSYDWTEOYXJQ-CQSZACIVSA-N 1 3 303.450 2.415 20 0 DEADHO [NH3+][C@@H]1CC[C@@H](C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000237939362 202398704 /nfs/dbraw/zinc/39/87/04/202398704.db2.gz FXUGUWSXVVVQTJ-HUUCEWRRSA-N 1 3 321.490 2.204 20 0 DEADHO C[NH2+]CCC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000262387567 283505005 /nfs/dbraw/zinc/50/50/05/283505005.db2.gz NWFKJDPLBXUIOS-KRWDZBQOSA-N 1 3 303.450 2.185 20 0 DEADHO C[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1ccc(OCCN(C)C)cc1 ZINC000189336728 200384347 /nfs/dbraw/zinc/38/43/47/200384347.db2.gz FTPKPOJRSDCMMB-UXLLHSPISA-N 1 3 306.450 2.439 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)cc1 ZINC000668594390 540695444 /nfs/dbraw/zinc/69/54/44/540695444.db2.gz BXENVMAPJKVASX-FUHWJXTLSA-N 1 3 304.434 2.095 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+]2C[C@H]3COC[C@@]3(C)C2)cc1 ZINC000668594390 540695445 /nfs/dbraw/zinc/69/54/45/540695445.db2.gz BXENVMAPJKVASX-FUHWJXTLSA-N 1 3 304.434 2.095 20 0 DEADHO CN(Cc1ccc(OCC[NH+]2CCCC2)cc1)C1(CO)CC1 ZINC000668801027 540733950 /nfs/dbraw/zinc/73/39/50/540733950.db2.gz IYFYVCHMPJBNOU-UHFFFAOYSA-N 1 3 304.434 2.118 20 0 DEADHO C[C@H]1C[C@H](C[NH3+])CN1CCC(=O)Nc1ccc(Cl)cc1F ZINC000442796717 238078342 /nfs/dbraw/zinc/07/83/42/238078342.db2.gz VYYHWPFFWODCOH-WDEREUQCSA-N 1 3 313.804 2.477 20 0 DEADHO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443062714 238101438 /nfs/dbraw/zinc/10/14/38/238101438.db2.gz VEMZLXJPIIIWMX-ZNMIVQPWSA-N 1 3 321.440 2.452 20 0 DEADHO CCCCN(C)CCNC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669477969 540840863 /nfs/dbraw/zinc/84/08/63/540840863.db2.gz LTUJIPOJEFLPLS-SJORKVTESA-N 1 3 324.513 2.140 20 0 DEADHO O=C(c1ccc2c(c1)CNC2)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669519432 540850730 /nfs/dbraw/zinc/85/07/30/540850730.db2.gz ARSGSQWLYAYCAQ-WBVHZDCISA-N 1 3 313.445 2.142 20 0 DEADHO O=C(Nc1ccc2c(c1)CNC2)c1cccn1C1CC[NH2+]CC1 ZINC000669520473 540851650 /nfs/dbraw/zinc/85/16/50/540851650.db2.gz UMHKHKDDYKKRIA-UHFFFAOYSA-N 1 3 310.401 2.268 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)c1ccco1 ZINC000607638959 361100355 /nfs/dbraw/zinc/10/03/55/361100355.db2.gz HHLKVPLVLHEOFK-HZPDHXFCSA-N 1 3 321.465 2.258 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)c1ccco1 ZINC000607638959 361100359 /nfs/dbraw/zinc/10/03/59/361100359.db2.gz HHLKVPLVLHEOFK-HZPDHXFCSA-N 1 3 321.465 2.258 20 0 DEADHO C[C@H]([NH3+])CCC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000193305087 201025787 /nfs/dbraw/zinc/02/57/87/201025787.db2.gz FFBBRYYWALOJSQ-ZDUSSCGKSA-N 1 3 309.479 2.204 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CCC)C1 ZINC001120448844 781942881 /nfs/dbraw/zinc/94/28/81/781942881.db2.gz HGIXMRNQJSHVOW-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+]2CCC)C1 ZINC001120448844 781942891 /nfs/dbraw/zinc/94/28/91/781942891.db2.gz HGIXMRNQJSHVOW-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000675194777 541300024 /nfs/dbraw/zinc/30/00/24/541300024.db2.gz QSGRRODLXIVEIM-SJORKVTESA-N 1 3 322.497 2.131 20 0 DEADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000675197203 541301078 /nfs/dbraw/zinc/30/10/78/541301078.db2.gz LNFAKZQVZVBCJK-IRXDYDNUSA-N 1 3 322.497 2.131 20 0 DEADHO CC(C)N1CCC([NH2+][C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000271827823 209248723 /nfs/dbraw/zinc/24/87/23/209248723.db2.gz QIEQZPZOGSCBDL-SFHVURJKSA-N 1 3 315.461 2.250 20 0 DEADHO CC[C@H]1CN(C(=O)Nc2cccc(CN(C)C)c2)CC[C@@H]1[NH3+] ZINC000623059082 364871252 /nfs/dbraw/zinc/87/12/52/364871252.db2.gz PZXVNEPMXVMJON-HOCLYGCPSA-N 1 3 304.438 2.339 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000623072352 364875252 /nfs/dbraw/zinc/87/52/52/364875252.db2.gz YUPFLFJMHLZDER-CABCVRRESA-N 1 3 302.422 2.140 20 0 DEADHO Cc1cccc2[nH]c(C[NH2+]CCCN(C)CCN(C)C)cc21 ZINC000623087256 364879279 /nfs/dbraw/zinc/87/92/79/364879279.db2.gz HKHURCNFAGQYAQ-UHFFFAOYSA-N 1 3 302.466 2.449 20 0 DEADHO CN(C)CCN(C)CCC[NH2+]C[C@H]1CCOc2ccccc21 ZINC000623088169 364881349 /nfs/dbraw/zinc/88/13/49/364881349.db2.gz YGDVMOHIKOBOOU-MRXNPFEDSA-N 1 3 305.466 2.026 20 0 DEADHO CN(C)CCN(C)CCC[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000623088325 364882354 /nfs/dbraw/zinc/88/23/54/364882354.db2.gz GKPXYCGXFILRHX-UHFFFAOYSA-N 1 3 321.494 2.111 20 0 DEADHO OC[C@H]1CCC[N@@H+]1CCCCNCc1ccnn1C1CCCC1 ZINC000449152115 240126448 /nfs/dbraw/zinc/12/64/48/240126448.db2.gz ZTMAACSNTRJVME-GOSISDBHSA-N 1 3 320.481 2.325 20 0 DEADHO OC[C@H]1CCC[N@H+]1CCCCNCc1ccnn1C1CCCC1 ZINC000449152115 240126461 /nfs/dbraw/zinc/12/64/61/240126461.db2.gz ZTMAACSNTRJVME-GOSISDBHSA-N 1 3 320.481 2.325 20 0 DEADHO C[C@@H]1C[C@H](NCc2ccncc2OCCC[NH+](C)C)[C@H](C)O1 ZINC000449328935 240374999 /nfs/dbraw/zinc/37/49/99/240374999.db2.gz LTOWAWHESHYSIA-YCPHGPKFSA-N 1 3 307.438 2.068 20 0 DEADHO COc1ccc([C@@H](NC[C@H]2CCCN2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000629520667 367234026 /nfs/dbraw/zinc/23/40/26/367234026.db2.gz XIRYQJLJXLGOKS-BPQIPLTHSA-N 1 3 303.450 2.172 20 0 DEADHO CC(C)(C)c1csc(CC[NH2+]C[C@H](O)CN2CCCC2)n1 ZINC000629559146 367250758 /nfs/dbraw/zinc/25/07/58/367250758.db2.gz CQMLNMOIRKIXGI-ZDUSSCGKSA-N 1 3 311.495 2.029 20 0 DEADHO CC[C@@H](C[NH2+]C[C@@H](O)CN1CCCC1)Oc1ccccc1C ZINC000629568669 367255254 /nfs/dbraw/zinc/25/52/54/367255254.db2.gz SOFHFZNRVJLRQA-SJORKVTESA-N 1 3 306.450 2.199 20 0 DEADHO C[C@H](C[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1)C1CCCCC1 ZINC000629661068 367290908 /nfs/dbraw/zinc/29/09/08/367290908.db2.gz APDKPTIRPKUEDI-HZPDHXFCSA-N 1 3 309.498 2.332 20 0 DEADHO C[C@H](C[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1)C1CCCCC1 ZINC000629661068 367290911 /nfs/dbraw/zinc/29/09/11/367290911.db2.gz APDKPTIRPKUEDI-HZPDHXFCSA-N 1 3 309.498 2.332 20 0 DEADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc(C)cc2F)CC1 ZINC000631065368 367998968 /nfs/dbraw/zinc/99/89/68/367998968.db2.gz YABIMLHTPQBWKW-MRXNPFEDSA-N 1 3 307.457 2.497 20 0 DEADHO CCN1CCN(CCCC[NH2+][C@H]2CCCc3ncccc32)CC1 ZINC000631567258 368290512 /nfs/dbraw/zinc/29/05/12/368290512.db2.gz WVEFMFXEQLMDHR-SFHVURJKSA-N 1 3 316.493 2.466 20 0 DEADHO CCN(CC[C@H](C)[N@H+](CC)C[C@H]1CCOC1)C[C@H]1CCOC1 ZINC000677887022 541642971 /nfs/dbraw/zinc/64/29/71/541642971.db2.gz YNEVTSVJBJFYAE-RCCFBDPRSA-N 1 3 312.498 2.482 20 0 DEADHO CCN(CC[C@H](C)[N@@H+](CC)C[C@H]1CCOC1)C[C@H]1CCOC1 ZINC000677887022 541642974 /nfs/dbraw/zinc/64/29/74/541642974.db2.gz YNEVTSVJBJFYAE-RCCFBDPRSA-N 1 3 312.498 2.482 20 0 DEADHO Cc1ccc2ncc(CN3CC[C@@H](n4cc(C[NH3+])nn4)C3)cc2c1 ZINC000631844649 368421086 /nfs/dbraw/zinc/42/10/86/368421086.db2.gz KUFTVPIWKVTZCG-QGZVFWFLSA-N 1 3 322.416 2.040 20 0 DEADHO O=C(CC[C@H]1CC[NH2+]C1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000261539805 203074662 /nfs/dbraw/zinc/07/46/62/203074662.db2.gz DEUYTWGCNOOYMA-FUHWJXTLSA-N 1 3 315.461 2.157 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261546865 203075217 /nfs/dbraw/zinc/07/52/17/203075217.db2.gz LKDSACXGKDGHLM-ONIAQPFYSA-N 1 3 317.477 2.387 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261546865 203075219 /nfs/dbraw/zinc/07/52/19/203075219.db2.gz LKDSACXGKDGHLM-ONIAQPFYSA-N 1 3 317.477 2.387 20 0 DEADHO [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000261815173 203122331 /nfs/dbraw/zinc/12/23/31/203122331.db2.gz SFBYTGYGPCABBG-KFWWJZLASA-N 1 3 321.490 2.376 20 0 DEADHO C[C@H](C(=O)Nc1ccc(OCC[NH3+])cc1)[C@@H](N)c1ccccc1 ZINC000262236126 203237177 /nfs/dbraw/zinc/23/71/77/203237177.db2.gz ALFLWJQVFIQJNW-SUMWQHHRSA-N 1 3 313.401 2.299 20 0 DEADHO CCN(C(=O)CN1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000358512102 284150716 /nfs/dbraw/zinc/15/07/16/284150716.db2.gz UHINVCNAHCTSGB-UHFFFAOYSA-N 1 3 301.434 2.115 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000678939465 541787609 /nfs/dbraw/zinc/78/76/09/541787609.db2.gz NAKCHIQCOUTNNV-BEFAXECRSA-N 1 3 317.477 2.199 20 0 DEADHO CCN(C(=O)[C@@H](C)N1CCC([C@@H](C)[NH3+])CC1)c1ccccc1 ZINC000430931280 284195850 /nfs/dbraw/zinc/19/58/50/284195850.db2.gz WDOMJYJWAAIRDA-HUUCEWRRSA-N 1 3 303.450 2.487 20 0 DEADHO COCCN(C)CC[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274914498 212030455 /nfs/dbraw/zinc/03/04/55/212030455.db2.gz NZDYTVSRCXJEFQ-IEBWSBKVSA-N 1 3 319.493 2.065 20 0 DEADHO COCCN(C)CCN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274914498 212030457 /nfs/dbraw/zinc/03/04/57/212030457.db2.gz NZDYTVSRCXJEFQ-IEBWSBKVSA-N 1 3 319.493 2.065 20 0 DEADHO COCCN(C)CCN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274914498 212030460 /nfs/dbraw/zinc/03/04/60/212030460.db2.gz NZDYTVSRCXJEFQ-IEBWSBKVSA-N 1 3 319.493 2.065 20 0 DEADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2cnc(C)cn2)[C@@H](C)C1 ZINC000453410861 245123049 /nfs/dbraw/zinc/12/30/49/245123049.db2.gz VLNYXPYXYILGBY-MAUKXSAKSA-N 1 3 320.481 2.054 20 0 DEADHO CCOCCC[N@H+]1CC[C@@H](NCCc2cnc(C)cn2)[C@@H](C)C1 ZINC000453410861 245123056 /nfs/dbraw/zinc/12/30/56/245123056.db2.gz VLNYXPYXYILGBY-MAUKXSAKSA-N 1 3 320.481 2.054 20 0 DEADHO CC[N@H+](C)CCNC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000352168471 284335555 /nfs/dbraw/zinc/33/55/55/284335555.db2.gz VMXJRHWUHWIHQK-DOTOQJQBSA-N 1 3 320.481 2.237 20 0 DEADHO CC[N@@H+](C)CCNC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000352168471 284335556 /nfs/dbraw/zinc/33/55/56/284335556.db2.gz VMXJRHWUHWIHQK-DOTOQJQBSA-N 1 3 320.481 2.237 20 0 DEADHO CO[C@H](Cc1ccc(F)cc1)CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000530218854 284376274 /nfs/dbraw/zinc/37/62/74/284376274.db2.gz NRONOVLRUCLKPY-RANZSIQMSA-N 1 3 306.425 2.442 20 0 DEADHO Cc1nc(C)c(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)s1 ZINC000530239405 284383156 /nfs/dbraw/zinc/38/31/56/284383156.db2.gz FOHRAYRPGBQDNU-HNNXBMFYSA-N 1 3 309.479 2.350 20 0 DEADHO C[C@@H]1CN(CC2CC[NH+](CCC3(O)CCC3)CC2)C[C@H](C)O1 ZINC000411219210 227362410 /nfs/dbraw/zinc/36/24/10/227362410.db2.gz PUBSJECEDHUXRX-IYBDPMFKSA-N 1 3 310.482 2.113 20 0 DEADHO COCCNc1ccc(CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000459426584 248626930 /nfs/dbraw/zinc/62/69/30/248626930.db2.gz MGMCPCIAXCWVRT-UHFFFAOYSA-N 1 3 303.450 2.461 20 0 DEADHO CC(C)N1CC[C@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000040623380 183109436 /nfs/dbraw/zinc/10/94/36/183109436.db2.gz MAYJMXZQIRTTDD-CYBMUJFWSA-N 1 3 307.404 2.333 20 0 DEADHO CC1CCC(N2CCN(C(=O)CC[C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000494662620 249538897 /nfs/dbraw/zinc/53/88/97/249538897.db2.gz CCVHWRKXAAREAB-CGZBRXJRSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)[C@@H](CNC(=O)NCCN1CCC(C)CC1)[NH+]1CCCC1 ZINC000105127447 194076966 /nfs/dbraw/zinc/07/69/66/194076966.db2.gz WZCVCFLPHISDBP-QGZVFWFLSA-N 1 3 324.513 2.138 20 0 DEADHO COc1ccc(CC[C@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000269002398 207157850 /nfs/dbraw/zinc/15/78/50/207157850.db2.gz PLTQMOALHIRZGR-HNNXBMFYSA-N 1 3 306.450 2.063 20 0 DEADHO CS[C@@H]1CN(CCN2CCC(C)CC2)C[C@@H]1[NH+]1CCCC1 ZINC000358821935 295649686 /nfs/dbraw/zinc/64/96/86/295649686.db2.gz KHSJMWNISLFPHU-DLBZAZTESA-N 1 3 311.539 2.230 20 0 DEADHO CCN(CCNC(=O)NC1CC[NH+](C2CCCC2)CC1)C1CC1 ZINC000175713719 207362038 /nfs/dbraw/zinc/36/20/38/207362038.db2.gz SWSPIZKWTCXJKJ-UHFFFAOYSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000269243683 207373179 /nfs/dbraw/zinc/37/31/79/207373179.db2.gz YCRVWLVUANGDDH-CRAIPNDOSA-N 1 3 315.461 2.400 20 0 DEADHO C[C@@H](N)C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000442662161 532961865 /nfs/dbraw/zinc/96/18/65/532961865.db2.gz PLESUGFJEPSMKI-CYBMUJFWSA-N 1 3 304.413 2.438 20 0 DEADHO C[C@@H](N)C[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000442662161 532961871 /nfs/dbraw/zinc/96/18/71/532961871.db2.gz PLESUGFJEPSMKI-CYBMUJFWSA-N 1 3 304.413 2.438 20 0 DEADHO C[NH2+][C@H]1CCCN(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)C1 ZINC000418366173 533018079 /nfs/dbraw/zinc/01/80/79/533018079.db2.gz YGRYETKNGQVSMY-DLBZAZTESA-N 1 3 318.465 2.203 20 0 DEADHO COc1cc(NCCN[C@H]2CC[NH2+]CC[C@@H]2C)cc(OC)c1 ZINC000423007464 533032915 /nfs/dbraw/zinc/03/29/15/533032915.db2.gz XTAFPCGQRSIUDN-GUYCJALGSA-N 1 3 307.438 2.093 20 0 DEADHO CC[C@@H](C)[C@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000539688258 285084012 /nfs/dbraw/zinc/08/40/12/285084012.db2.gz RPDHMUJINLVSGP-RYRKJORJSA-N 1 3 319.493 2.300 20 0 DEADHO COc1ccc(OCC[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc1 ZINC000158798783 197301844 /nfs/dbraw/zinc/30/18/44/197301844.db2.gz HGZNUFKPCSAOFW-YJBOKZPZSA-N 1 3 304.434 2.490 20 0 DEADHO COc1ccc(OCC[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc1 ZINC000158798783 197301846 /nfs/dbraw/zinc/30/18/46/197301846.db2.gz HGZNUFKPCSAOFW-YJBOKZPZSA-N 1 3 304.434 2.490 20 0 DEADHO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000541720709 285181299 /nfs/dbraw/zinc/18/12/99/285181299.db2.gz TXCLEKOFMHTCGD-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000541720709 285181305 /nfs/dbraw/zinc/18/13/05/285181305.db2.gz TXCLEKOFMHTCGD-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000351904840 285203253 /nfs/dbraw/zinc/20/32/53/285203253.db2.gz QBZBGZPPGYUUFO-RDJZCZTQSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)[C@H](C)O1 ZINC000294685497 224167109 /nfs/dbraw/zinc/16/71/09/224167109.db2.gz FOVKKWGZIBECDV-ZRGWGRIASA-N 1 3 318.461 2.299 20 0 DEADHO CC(C)C(C[NH+]1CCC(C(=O)NCCN(C)C)CC1)C(C)C ZINC000560261384 291925688 /nfs/dbraw/zinc/92/56/88/291925688.db2.gz NPAARQRUKVSXOU-UHFFFAOYSA-N 1 3 311.514 2.304 20 0 DEADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNC[C@H]1CCC=CO1 ZINC000194610314 285291633 /nfs/dbraw/zinc/29/16/33/285291633.db2.gz RWSBCYGMZAQDRH-RTBURBONSA-N 1 3 316.445 2.426 20 0 DEADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNC[C@H]1CCC=CO1 ZINC000194610314 285291634 /nfs/dbraw/zinc/29/16/34/285291634.db2.gz RWSBCYGMZAQDRH-RTBURBONSA-N 1 3 316.445 2.426 20 0 DEADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000289474837 221001823 /nfs/dbraw/zinc/00/18/23/221001823.db2.gz BFFSTGNCRRBOTE-BBWFWOEESA-N 1 3 303.450 2.040 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]Cc2cncc(OC)c2)[C@H](C)C1 ZINC000289625441 221111954 /nfs/dbraw/zinc/11/19/54/221111954.db2.gz BHXKRLFTYDRNIH-QAPCUYQASA-N 1 3 321.465 2.317 20 0 DEADHO c1n[nH]cc1CC[NH2+][C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000289715071 221173334 /nfs/dbraw/zinc/17/33/34/221173334.db2.gz JIMGFMIRWQYMEU-FHWLQOOXSA-N 1 3 310.445 2.452 20 0 DEADHO NC[C@H](NC(=O)CC[C@H]1CCC[NH2+]1)c1ccc2ccccc2c1 ZINC000294917414 224309731 /nfs/dbraw/zinc/30/97/31/224309731.db2.gz FJSDJOILEFXPHE-MSOLQXFVSA-N 1 3 311.429 2.488 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000289851088 221268533 /nfs/dbraw/zinc/26/85/33/221268533.db2.gz CEHHTKVVOVLAHS-BZSNNMDCSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000289892412 221297543 /nfs/dbraw/zinc/29/75/43/221297543.db2.gz MOOBMWNTWRVADI-FUHWJXTLSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@@H](NC(C)(C)CNC(=O)N[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000417700366 533322776 /nfs/dbraw/zinc/32/27/76/533322776.db2.gz IRJHFCDIKSLKQB-ZBFHGGJFSA-N 1 3 318.465 2.167 20 0 DEADHO C[C@H](NC(=O)N1CC[C@@H](N2CCCCC2)C1)C(C)(C)C[NH+](C)C ZINC000443223245 533602130 /nfs/dbraw/zinc/60/21/30/533602130.db2.gz GETPCNGYVKUVLV-JKSUJKDBSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H](NC(=O)N1CCC[C@@H]1CN1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000418338477 533584921 /nfs/dbraw/zinc/58/49/21/533584921.db2.gz JWZPOQXKGNDMES-YESZJQIVSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H](N)c1ccccc1 ZINC000418423168 533592703 /nfs/dbraw/zinc/59/27/03/533592703.db2.gz FJGYXQIWZWOMDE-RHSMWYFYSA-N 1 3 318.465 2.058 20 0 DEADHO C[NH+](C)CCOc1ccc(CN2CC([C@@H]3CCOC3)C2)cc1 ZINC000684415400 542603277 /nfs/dbraw/zinc/60/32/77/542603277.db2.gz KMXJWDOIJCBRGX-MRXNPFEDSA-N 1 3 304.434 2.095 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+][C@H](CO)CC2CCC2)cc1 ZINC000684423846 542605247 /nfs/dbraw/zinc/60/52/47/542605247.db2.gz VYFPPFWKTWFANV-KRWDZBQOSA-N 1 3 306.450 2.268 20 0 DEADHO CN1CCN(CCCC[NH2+][C@@H]2CCCc3cccnc32)CC1 ZINC000684953781 542690862 /nfs/dbraw/zinc/69/08/62/542690862.db2.gz LNIIDEBXRXAQLT-QGZVFWFLSA-N 1 3 302.466 2.076 20 0 DEADHO COc1cccc(CN(C)CCCN(C)CC[NH+](C)C)c1F ZINC000685475789 542730889 /nfs/dbraw/zinc/73/08/89/542730889.db2.gz DFOPSXXVASJVPL-UHFFFAOYSA-N 1 3 311.445 2.150 20 0 DEADHO Cc1nn(C(C)C)cc1CN(C)CCCN(C)CC[NH+](C)C ZINC000685476301 542731043 /nfs/dbraw/zinc/73/10/43/542731043.db2.gz SNLXLRYEXXYSOT-UHFFFAOYSA-N 1 3 309.502 2.088 20 0 DEADHO Cc1nc(C)c(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)o1 ZINC000685573099 542739900 /nfs/dbraw/zinc/73/99/00/542739900.db2.gz WAOWRZCCOQTIJQ-UHFFFAOYSA-N 1 3 320.481 2.141 20 0 DEADHO CC[NH+]1CCC(CNC(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000562768134 292009699 /nfs/dbraw/zinc/00/96/99/292009699.db2.gz BSXGATUJMUQSQN-UHFFFAOYSA-N 1 3 316.449 2.186 20 0 DEADHO CC[NH+](CC)CC1CCN(C(=O)[C@@H](C2CC2)N2CCCC2)CC1 ZINC000353825943 133004534 /nfs/dbraw/zinc/00/45/34/133004534.db2.gz VUEIDCDWWYCTOL-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000355635402 133038819 /nfs/dbraw/zinc/03/88/19/133038819.db2.gz KCTFUXPDWZBNRH-HOTGVXAUSA-N 1 3 324.513 2.280 20 0 DEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000355635402 133038820 /nfs/dbraw/zinc/03/88/20/133038820.db2.gz KCTFUXPDWZBNRH-HOTGVXAUSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)[NH+](CCN(C)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1)C(C)C ZINC000355947586 133057134 /nfs/dbraw/zinc/05/71/34/133057134.db2.gz RDTMHLPDTHNGAM-JKSUJKDBSA-N 1 3 312.502 2.229 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000356238620 133073875 /nfs/dbraw/zinc/07/38/75/133073875.db2.gz WKCQRAZUIDIGJV-WMZOPIPTSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000356238620 133073876 /nfs/dbraw/zinc/07/38/76/133073876.db2.gz WKCQRAZUIDIGJV-WMZOPIPTSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@H]1CCCCN1CC ZINC000357815589 133101969 /nfs/dbraw/zinc/10/19/69/133101969.db2.gz YIYJRJSKXBCESP-HZPDHXFCSA-N 1 3 312.502 2.280 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@H]1CCCCN1CC ZINC000357815589 133101970 /nfs/dbraw/zinc/10/19/70/133101970.db2.gz YIYJRJSKXBCESP-HZPDHXFCSA-N 1 3 312.502 2.280 20 0 DEADHO C[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1=CCN(C)CC1 ZINC000358087385 133120153 /nfs/dbraw/zinc/12/01/53/133120153.db2.gz DMPWLMQTBHQXFP-HOCLYGCPSA-N 1 3 324.513 2.302 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccnc(OC)c2)[C@@H](C)C1 ZINC000358089719 133120180 /nfs/dbraw/zinc/12/01/80/133120180.db2.gz RUTMMSDIERZJMG-DOTOQJQBSA-N 1 3 321.465 2.317 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN(C)[C@@H]2CCC[C@H](C)C2)CC1 ZINC000358207195 133128351 /nfs/dbraw/zinc/12/83/51/133128351.db2.gz LBNXNVRGLFKQON-DOTOQJQBSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(CCN(C)C)C1CCCC1 ZINC000360127308 133164279 /nfs/dbraw/zinc/16/42/79/133164279.db2.gz YNFBCTSKFPXIPE-HNNXBMFYSA-N 1 3 312.502 2.231 20 0 DEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(CCN(C)C)C1CCCC1 ZINC000360127308 133164280 /nfs/dbraw/zinc/16/42/80/133164280.db2.gz YNFBCTSKFPXIPE-HNNXBMFYSA-N 1 3 312.502 2.231 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)CCN1C ZINC000360260149 133171927 /nfs/dbraw/zinc/17/19/27/133171927.db2.gz CRJJKQFLMXTUCF-PBHICJAKSA-N 1 3 318.465 2.030 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](C2CC2)N(C)C)[C@@H](C)C1 ZINC000360416463 133180550 /nfs/dbraw/zinc/18/05/50/133180550.db2.gz IEGIKFUFYXKBCI-SZMVWBNQSA-N 1 3 311.514 2.053 20 0 DEADHO [NH3+]Cc1cc(NC(=O)[C@@H]2CCCCN2)cc(C(F)(F)F)c1 ZINC000362571790 133239425 /nfs/dbraw/zinc/23/94/25/133239425.db2.gz BMZTXZXNSOBTDC-LBPRGKRZSA-N 1 3 301.312 2.245 20 0 DEADHO CC(C)CCOCCN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000362703017 133246302 /nfs/dbraw/zinc/24/63/02/133246302.db2.gz OTUURAPHZOIZSU-ROUUACIJSA-N 1 3 311.514 2.007 20 0 DEADHO C[C@@H](NC(=O)c1ccccc1CN(C)C)C(C)(C)C[NH+](C)C ZINC000362826915 133253221 /nfs/dbraw/zinc/25/32/21/133253221.db2.gz PAHGZAXGXWFRNC-CQSZACIVSA-N 1 3 305.466 2.454 20 0 DEADHO C[C@H](C[NH2+]Cc1ccc(Cl)cc1-n1cncn1)CN(C)C ZINC000291670619 404473055 /nfs/dbraw/zinc/47/30/55/404473055.db2.gz GJVDJELAOAYZRF-GFCCVEGCSA-N 1 3 307.829 2.208 20 0 DEADHO CC[NH+](CC)CC1CCN(C(=O)NC[C@H](C)N(C)C2CC2)CC1 ZINC000356363892 404476551 /nfs/dbraw/zinc/47/65/51/404476551.db2.gz ZVSODRVTYWEXIS-HNNXBMFYSA-N 1 3 324.513 2.233 20 0 DEADHO CN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000350830945 404478739 /nfs/dbraw/zinc/47/87/39/404478739.db2.gz PIYFBZLHKLHGAE-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000564823002 292113196 /nfs/dbraw/zinc/11/31/96/292113196.db2.gz PISDURBPPHPBCQ-CAMMJAKZSA-N 1 3 317.477 2.245 20 0 DEADHO C[NH+](C)[C@@H](CNC(=O)C(C)(C)[C@H](N)c1ccccc1)C1CC1 ZINC000564936327 292122166 /nfs/dbraw/zinc/12/21/66/292122166.db2.gz JETGDGKDIZKIMZ-JKSUJKDBSA-N 1 3 303.450 2.169 20 0 DEADHO [NH3+]C[C@H]1CCCN(CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000564988117 292125132 /nfs/dbraw/zinc/12/51/32/292125132.db2.gz KIVHRYFWGKRNFI-LLVKDONJSA-N 1 3 313.804 2.478 20 0 DEADHO CN1C[C@@H]2C[N@@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)C[C@@H]2C1 ZINC000193615801 145088160 /nfs/dbraw/zinc/08/81/60/145088160.db2.gz WDRVBRLKCCKHIP-SCTDSRPQSA-N 1 3 316.445 2.238 20 0 DEADHO CN1C[C@@H]2C[N@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)C[C@@H]2C1 ZINC000193615801 145088161 /nfs/dbraw/zinc/08/81/61/145088161.db2.gz WDRVBRLKCCKHIP-SCTDSRPQSA-N 1 3 316.445 2.238 20 0 DEADHO CC(C)(C)OC[C@H](O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246492943 145104357 /nfs/dbraw/zinc/10/43/57/145104357.db2.gz HHATVXOFKBLMSG-OIISXLGYSA-N 1 3 310.482 2.111 20 0 DEADHO CC(C)(C)OC[C@H](O)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246492943 145104359 /nfs/dbraw/zinc/10/43/59/145104359.db2.gz HHATVXOFKBLMSG-OIISXLGYSA-N 1 3 310.482 2.111 20 0 DEADHO CC[N@@H+]1CC[C@H](NCCNC(=O)c2ccc(C)cc2)[C@@H](C)C1 ZINC000247213150 145129819 /nfs/dbraw/zinc/12/98/19/145129819.db2.gz XBAKVEZBCDIWPR-RDJZCZTQSA-N 1 3 303.450 2.045 20 0 DEADHO CC[N@H+]1CC[C@H](NCCNC(=O)c2ccc(C)cc2)[C@@H](C)C1 ZINC000247213150 145129822 /nfs/dbraw/zinc/12/98/22/145129822.db2.gz XBAKVEZBCDIWPR-RDJZCZTQSA-N 1 3 303.450 2.045 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)C[C@H]2CCCN(C)C2)C1 ZINC000247244548 145131013 /nfs/dbraw/zinc/13/10/13/145131013.db2.gz OZZGEWVSEWHPMD-IRXDYDNUSA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(C)C[C@H]2CCCN(C)C2)C1 ZINC000247244548 145131014 /nfs/dbraw/zinc/13/10/14/145131014.db2.gz OZZGEWVSEWHPMD-IRXDYDNUSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H](NC(=O)[C@@H]1CCCCN1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261539445 145205837 /nfs/dbraw/zinc/20/58/37/145205837.db2.gz CLIIZWPYSMFRFX-SZMVWBNQSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H](NC(=O)[C@@H]1CCCCN1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261539445 145205839 /nfs/dbraw/zinc/20/58/39/145205839.db2.gz CLIIZWPYSMFRFX-SZMVWBNQSA-N 1 3 315.461 2.155 20 0 DEADHO [NH3+][C@@H]1CC[C@H]2CN(CCC(=O)Nc3ccccc3Cl)C[C@H]12 ZINC000261615967 145210632 /nfs/dbraw/zinc/21/06/32/145210632.db2.gz FRQXPCUADWUBDJ-SGMGOOAPSA-N 1 3 307.825 2.338 20 0 DEADHO OCC1(Cc2ccccc2)CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000261642574 145212933 /nfs/dbraw/zinc/21/29/33/145212933.db2.gz DJLCINKXVGYNKN-SFHVURJKSA-N 1 3 302.462 2.303 20 0 DEADHO OCC1(Cc2ccccc2)CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000261642574 145212935 /nfs/dbraw/zinc/21/29/35/145212935.db2.gz DJLCINKXVGYNKN-SFHVURJKSA-N 1 3 302.462 2.303 20 0 DEADHO C[C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)[C@H](N)c1ccccc1 ZINC000261713423 145219094 /nfs/dbraw/zinc/21/90/94/145219094.db2.gz LIOWCOGLPQGDDW-JQHSSLGASA-N 1 3 315.461 2.409 20 0 DEADHO O=C(CC[C@H]1CC[NH2+]C1)N1CCN(CC2CCCCC2)CC1 ZINC000261774672 145225366 /nfs/dbraw/zinc/22/53/66/145225366.db2.gz IZKBJHCJLRKYEF-INIZCTEOSA-N 1 3 307.482 2.101 20 0 DEADHO Cc1ccc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)s1 ZINC000261813675 145228860 /nfs/dbraw/zinc/22/88/60/145228860.db2.gz AFBBKBUWEFTIJO-HOCLYGCPSA-N 1 3 321.490 2.137 20 0 DEADHO C[C@H]1Cc2ccccc2N1C(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000261826942 145231542 /nfs/dbraw/zinc/23/15/42/145231542.db2.gz BEUJXUCUNIPZMG-LSDHHAIUSA-N 1 3 301.434 2.025 20 0 DEADHO Cc1ccccc1CN(C)C(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000261837506 145232639 /nfs/dbraw/zinc/23/26/39/145232639.db2.gz CFIPOCHJGSULLT-INIZCTEOSA-N 1 3 303.450 2.014 20 0 DEADHO C[C@H]([NH3+])C1CCN(CC(=O)N2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000261858095 145234770 /nfs/dbraw/zinc/23/47/70/145234770.db2.gz FKZSSOXWIKVNRL-USXIJHARSA-N 1 3 307.482 2.227 20 0 DEADHO Cc1ccc([C@@H](NCC2CC[NH2+]CC2)[C@H](C)S(C)(=O)=O)cc1 ZINC000261861103 145234795 /nfs/dbraw/zinc/23/47/95/145234795.db2.gz UHLUVMBZYLXSOA-YOEHRIQHSA-N 1 3 324.490 2.058 20 0 DEADHO C[C@@H]([NH3+])CC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000261891561 145238954 /nfs/dbraw/zinc/23/89/54/145238954.db2.gz UAJZJRSTQDCQMG-WBVHZDCISA-N 1 3 303.450 2.313 20 0 DEADHO C[NH2+]CCC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000262018108 145253975 /nfs/dbraw/zinc/25/39/75/145253975.db2.gz AANDTDHGQMOKTQ-IBGZPJMESA-N 1 3 315.461 2.111 20 0 DEADHO C[NH2+]CCC1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000262114591 145262956 /nfs/dbraw/zinc/26/29/56/145262956.db2.gz VAOZRLBUFOHGKW-UHFFFAOYSA-N 1 3 303.450 2.210 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)[C@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000262380970 145279794 /nfs/dbraw/zinc/27/97/94/145279794.db2.gz YSBQRKPCSLLKBQ-RHSMWYFYSA-N 1 3 303.450 2.312 20 0 DEADHO O=C(C[C@@H]1CCC[NH2+]1)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000309701670 145350501 /nfs/dbraw/zinc/35/05/01/145350501.db2.gz GGONWGDOIGKCJL-ROUUACIJSA-N 1 3 315.461 2.157 20 0 DEADHO O=C(C[C@H]1CCC[NH2+]1)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000309701669 145351247 /nfs/dbraw/zinc/35/12/47/145351247.db2.gz GGONWGDOIGKCJL-QZTJIDSGSA-N 1 3 315.461 2.157 20 0 DEADHO CC[NH+]1CCC(N[C@H](C)[C@H](Cc2ccccc2)C(=O)OC)CC1 ZINC000342845261 145685492 /nfs/dbraw/zinc/68/54/92/145685492.db2.gz XBEYZJFAJIIXMN-QAPCUYQASA-N 1 3 318.461 2.481 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H]3CC3(C)C)CC2)CC1 ZINC000565193791 292144229 /nfs/dbraw/zinc/14/42/29/292144229.db2.gz APDSGSNBXMYYME-QGZVFWFLSA-N 1 3 321.509 2.440 20 0 DEADHO CC[N@H+](Cc1ccc(C(=O)N[C@H](C)CN(C)C)cc1)C1CC1 ZINC000346155580 146025872 /nfs/dbraw/zinc/02/58/72/146025872.db2.gz ARTAMPRFWPMCAY-CQSZACIVSA-N 1 3 303.450 2.351 20 0 DEADHO CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)CN(C)C)cc1)C1CC1 ZINC000346155580 146025874 /nfs/dbraw/zinc/02/58/74/146025874.db2.gz ARTAMPRFWPMCAY-CQSZACIVSA-N 1 3 303.450 2.351 20 0 DEADHO c1cc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c2c(c1)OCCO2 ZINC000347009883 146179288 /nfs/dbraw/zinc/17/92/88/146179288.db2.gz SNRFITOCXHJNAX-INIZCTEOSA-N 1 3 302.418 2.422 20 0 DEADHO CC(=O)N1CC[C@H](N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000348099997 146216277 /nfs/dbraw/zinc/21/62/77/146216277.db2.gz YMNXWQGDRKCMKB-LZQZEXGQSA-N 1 3 315.461 2.107 20 0 DEADHO CC(=O)N1CC[C@H](N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000348099997 146216278 /nfs/dbraw/zinc/21/62/78/146216278.db2.gz YMNXWQGDRKCMKB-LZQZEXGQSA-N 1 3 315.461 2.107 20 0 DEADHO CO[C@]1(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CCOC1 ZINC000348217450 146235162 /nfs/dbraw/zinc/23/51/62/146235162.db2.gz AONXBZXDLUZIMO-UHOSZYNNSA-N 1 3 318.461 2.292 20 0 DEADHO Cc1ccc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)nc1 ZINC000348839789 146318961 /nfs/dbraw/zinc/31/89/61/146318961.db2.gz XYYVEKCMNSASFC-UHFFFAOYSA-N 1 3 316.493 2.240 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000349119264 146352628 /nfs/dbraw/zinc/35/26/28/146352628.db2.gz PBWQWXRERIAEOM-BRWVUGGUSA-N 1 3 309.498 2.345 20 0 DEADHO CN(C)c1ncc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)s1 ZINC000349124076 146352924 /nfs/dbraw/zinc/35/29/24/146352924.db2.gz ATDILNBSNLEAAO-AWEZNQCLSA-N 1 3 308.495 2.373 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCN1CCCC(C)(C)C1 ZINC000358287132 147107428 /nfs/dbraw/zinc/10/74/28/147107428.db2.gz CLPSJWKYSYKQBV-MRXNPFEDSA-N 1 3 324.513 2.282 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)NCCN1CCCC(C)(C)C1 ZINC000358287132 147107429 /nfs/dbraw/zinc/10/74/29/147107429.db2.gz CLPSJWKYSYKQBV-MRXNPFEDSA-N 1 3 324.513 2.282 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](NCCc2ncc(C)cn2)[C@@H](C)C1 ZINC000358360051 147119839 /nfs/dbraw/zinc/11/98/39/147119839.db2.gz VDPPCGQKRHPRPB-IRXDYDNUSA-N 1 3 320.481 2.054 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](NCCc2ncc(C)cn2)[C@@H](C)C1 ZINC000358360051 147119840 /nfs/dbraw/zinc/11/98/40/147119840.db2.gz VDPPCGQKRHPRPB-IRXDYDNUSA-N 1 3 320.481 2.054 20 0 DEADHO COc1ccc(NC(=O)[C@@H](C)N2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358504183 147146936 /nfs/dbraw/zinc/14/69/36/147146936.db2.gz HNKRHYYNTTVRQO-CQSZACIVSA-N 1 3 317.433 2.098 20 0 DEADHO C[C@H]1CCCC[C@H]1N(C)C(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358510562 147147525 /nfs/dbraw/zinc/14/75/25/147147525.db2.gz RYROKBGAZVFFPA-JKSUJKDBSA-N 1 3 307.482 2.099 20 0 DEADHO CCCN(C)CC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000358563627 147156715 /nfs/dbraw/zinc/15/67/15/147156715.db2.gz IULKCEOOYFEDOW-UHFFFAOYSA-N 1 3 323.506 2.418 20 0 DEADHO NC[C@H](C(=O)NCCC[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC000358861282 147220631 /nfs/dbraw/zinc/22/06/31/147220631.db2.gz WAJZJRLCYFOKSX-KRWDZBQOSA-N 1 3 321.440 2.250 20 0 DEADHO c1ccc(CCN2CCN(CCC3CC[NH2+]CC3)CC2)cc1 ZINC000359214796 147283238 /nfs/dbraw/zinc/28/32/38/147283238.db2.gz HHMIOMFYENCGPB-UHFFFAOYSA-N 1 3 301.478 2.236 20 0 DEADHO c1ccc2oc(N3CCN(CCC4CC[NH2+]CC4)CC3)nc2c1 ZINC000359219171 147283948 /nfs/dbraw/zinc/28/39/48/147283948.db2.gz NIZBJVUAGGMNDP-UHFFFAOYSA-N 1 3 314.433 2.340 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1)N(C)C ZINC000359248168 147291935 /nfs/dbraw/zinc/29/19/35/147291935.db2.gz GXOJRSOINVWURN-WCXIOVBPSA-N 1 3 309.498 2.436 20 0 DEADHO CN(C[C@H](O)C(F)(F)F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000359585897 147357182 /nfs/dbraw/zinc/35/71/82/147357182.db2.gz SXULPZYGCKGYNU-AWEZNQCLSA-N 1 3 317.355 2.153 20 0 DEADHO CC(C)OCCC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000364637456 147652377 /nfs/dbraw/zinc/65/23/77/147652377.db2.gz FBDYQVVFOUGELM-UHFFFAOYSA-N 1 3 311.514 2.151 20 0 DEADHO CC[C@@H](C(=O)N1CCCN(Cc2ccccc2C)CC1)[NH+](C)C ZINC000370669852 148042289 /nfs/dbraw/zinc/04/22/89/148042289.db2.gz RTBLROBYCMLZOW-SFHVURJKSA-N 1 3 317.477 2.370 20 0 DEADHO Cc1ccc([C@@H](C)NCC2(N3CCOCC3)CC[NH+](C)CC2)o1 ZINC000414191958 292195448 /nfs/dbraw/zinc/19/54/48/292195448.db2.gz LQPAWSDDJJYGGK-MRXNPFEDSA-N 1 3 321.465 2.035 20 0 DEADHO C[NH2+]CCc1ccccc1C(=O)Nc1cccc2c1CCNC2 ZINC000566087456 292203675 /nfs/dbraw/zinc/20/36/75/292203675.db2.gz JBPSVCHZNZMTKT-UHFFFAOYSA-N 1 3 309.413 2.347 20 0 DEADHO Fc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c(F)c1 ZINC000566089717 292203830 /nfs/dbraw/zinc/20/38/30/292203830.db2.gz PXDLPQDEGMDAGG-HYVNUMGLSA-N 1 3 310.388 2.254 20 0 DEADHO CC[NH+](CC)CCNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000111790258 401723887 /nfs/dbraw/zinc/72/38/87/401723887.db2.gz MUDGJETVCRWQBZ-MRXNPFEDSA-N 1 3 320.481 2.148 20 0 DEADHO CCC[C@@H](C)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127232730 401725383 /nfs/dbraw/zinc/72/53/83/401725383.db2.gz AFFWLBHTYLJAGQ-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NCC[NH+](C(C)C)C(C)C ZINC000111511128 401717238 /nfs/dbraw/zinc/71/72/38/401717238.db2.gz MUZMDPPNSILFKE-MRXNPFEDSA-N 1 3 312.502 2.279 20 0 DEADHO COc1ccccc1C[C@@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000128259244 401769434 /nfs/dbraw/zinc/76/94/34/401769434.db2.gz VFEWPXHNNMVWEG-QGZVFWFLSA-N 1 3 319.493 2.243 20 0 DEADHO O=C(C[C@@H]1CC[NH2+]C1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000130304938 401826603 /nfs/dbraw/zinc/82/66/03/401826603.db2.gz QXENGZSOUBEYRI-KBPBESRZSA-N 1 3 307.463 2.001 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)CN1C1CC1 ZINC000130682548 401836976 /nfs/dbraw/zinc/83/69/76/401836976.db2.gz HSGJYYXCNSNZPB-GDBMZVCRSA-N 1 3 322.497 2.223 20 0 DEADHO CN(CCC(=O)N(C)c1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000135096829 401926925 /nfs/dbraw/zinc/92/69/25/401926925.db2.gz GMDBKVZWGPDUGA-MRXNPFEDSA-N 1 3 303.450 2.313 20 0 DEADHO CN(CCC(=O)N(C)c1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000135096829 401926928 /nfs/dbraw/zinc/92/69/28/401926928.db2.gz GMDBKVZWGPDUGA-MRXNPFEDSA-N 1 3 303.450 2.313 20 0 DEADHO CCCC[N@H+](C)CC1CCN(C(=O)NC2CCN(C)CC2)CC1 ZINC000079854900 401882658 /nfs/dbraw/zinc/88/26/58/401882658.db2.gz YUUJHOJEYYMALP-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO CCCC[N@@H+](C)CC1CCN(C(=O)NC2CCN(C)CC2)CC1 ZINC000079854900 401882660 /nfs/dbraw/zinc/88/26/60/401882660.db2.gz YUUJHOJEYYMALP-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO [NH3+]CCCCC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000566169675 292213591 /nfs/dbraw/zinc/21/35/91/292213591.db2.gz OYOFTCBNHJUAHK-AWEZNQCLSA-N 1 3 309.479 2.205 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@@H](CC(C)C)C2)CC1 ZINC000119280183 401938413 /nfs/dbraw/zinc/93/84/13/401938413.db2.gz QFWHMWUDPXECPI-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO COC(=O)c1cc(CN2CCC(CCC[NH+](C)C)CC2)c[nH]1 ZINC000093688631 402019740 /nfs/dbraw/zinc/01/97/40/402019740.db2.gz LRHZGKOBSINBSM-UHFFFAOYSA-N 1 3 307.438 2.355 20 0 DEADHO Cc1ncccc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093735168 402019793 /nfs/dbraw/zinc/01/97/93/402019793.db2.gz ZIZXRMJSNMUBBJ-UHFFFAOYSA-N 1 3 303.450 2.467 20 0 DEADHO Cc1cc2ncc([C@H](C)NCC3CC[NH+](C)CC3)c(C)n2n1 ZINC000121196723 402019805 /nfs/dbraw/zinc/01/98/05/402019805.db2.gz LVPITNYKPIQRMG-ZDUSSCGKSA-N 1 3 301.438 2.339 20 0 DEADHO CCn1cc(CN2CCC(CCC[N@H+](C)CCOC)CC2)cn1 ZINC000093769404 402020619 /nfs/dbraw/zinc/02/06/19/402020619.db2.gz HGWXFNJQQSPPCM-UHFFFAOYSA-N 1 3 322.497 2.473 20 0 DEADHO CCn1cc(CN2CCC(CCC[N@@H+](C)CCOC)CC2)cn1 ZINC000093769404 402020622 /nfs/dbraw/zinc/02/06/22/402020622.db2.gz HGWXFNJQQSPPCM-UHFFFAOYSA-N 1 3 322.497 2.473 20 0 DEADHO CC(C)N(C)CC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063583445 402113784 /nfs/dbraw/zinc/11/37/84/402113784.db2.gz DTMZTGRNMNVSBV-UHFFFAOYSA-N 1 3 317.477 2.355 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000566286973 292225388 /nfs/dbraw/zinc/22/53/88/292225388.db2.gz VALLORJYCARTMD-KBAYOESNSA-N 1 3 315.461 2.470 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000154228534 402200322 /nfs/dbraw/zinc/20/03/22/402200322.db2.gz VHTDUPCBTHFPED-HNNXBMFYSA-N 1 3 319.449 2.094 20 0 DEADHO COc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1O ZINC000067453058 402159956 /nfs/dbraw/zinc/15/99/56/402159956.db2.gz UOPJKCOZKFFPTG-HUUCEWRRSA-N 1 3 322.449 2.380 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc3c2OCO3)C[C@@H](C)O1 ZINC000067452659 402160034 /nfs/dbraw/zinc/16/00/34/402160034.db2.gz NVUVVUAYLOOABW-HUUCEWRRSA-N 1 3 320.433 2.394 20 0 DEADHO C[N@H+](CCCN1CCCCC1)C[C@H](O)COCc1ccccc1 ZINC000125172902 402217303 /nfs/dbraw/zinc/21/73/03/402217303.db2.gz JVRICAKOTOPTPU-IBGZPJMESA-N 1 3 320.477 2.372 20 0 DEADHO C[N@@H+](CCCN1CCCCC1)C[C@H](O)COCc1ccccc1 ZINC000125172902 402217304 /nfs/dbraw/zinc/21/73/04/402217304.db2.gz JVRICAKOTOPTPU-IBGZPJMESA-N 1 3 320.477 2.372 20 0 DEADHO CC[NH+](CC)Cc1ccc(CNC(=O)N(C)CCN(C)C)cc1 ZINC000176175675 402286466 /nfs/dbraw/zinc/28/64/66/402286466.db2.gz DWKUBZYVHZQWFS-UHFFFAOYSA-N 1 3 320.481 2.231 20 0 DEADHO CCOC[C@@H](O)CN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000159054199 402316787 /nfs/dbraw/zinc/31/67/87/402316787.db2.gz TXDOSEOFDYMBOB-WMZOPIPTSA-N 1 3 312.498 2.360 20 0 DEADHO CCOC[C@@H](O)CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000159054199 402316790 /nfs/dbraw/zinc/31/67/90/402316790.db2.gz TXDOSEOFDYMBOB-WMZOPIPTSA-N 1 3 312.498 2.360 20 0 DEADHO CC(C)(C[NH3+])C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000236624631 402369146 /nfs/dbraw/zinc/36/91/46/402369146.db2.gz RYLKRJPBFIOJMP-UHFFFAOYSA-N 1 3 321.490 2.201 20 0 DEADHO CC1CC[NH+](Cc2ccccc2CNC(=O)C2(N)CC2)CC1 ZINC000236629428 402369517 /nfs/dbraw/zinc/36/95/17/402369517.db2.gz VCMUNMWVJJNRAQ-UHFFFAOYSA-N 1 3 301.434 2.026 20 0 DEADHO CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000236725080 402378496 /nfs/dbraw/zinc/37/84/96/402378496.db2.gz YJWAYEUBFNJMLG-OIISXLGYSA-N 1 3 303.450 2.139 20 0 DEADHO CC(C)[C@H](N)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000236737011 402379157 /nfs/dbraw/zinc/37/91/57/402379157.db2.gz GEIRSVZGNDVFRS-YOEHRIQHSA-N 1 3 303.450 2.312 20 0 DEADHO CC[C@H](C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1)N(C)C ZINC000161694906 402396440 /nfs/dbraw/zinc/39/64/40/402396440.db2.gz YKCUZPBDJNEQGT-QGZVFWFLSA-N 1 3 305.466 2.437 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)C2(N)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000237529698 402411523 /nfs/dbraw/zinc/41/15/23/402411523.db2.gz MFNLPZWMTLOICP-RDJZCZTQSA-N 1 3 315.461 2.427 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)C2(N)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000237529698 402411525 /nfs/dbraw/zinc/41/15/25/402411525.db2.gz MFNLPZWMTLOICP-RDJZCZTQSA-N 1 3 315.461 2.427 20 0 DEADHO C[C@H]1C[C@H](N(C)C(=O)C(C)(C)C[NH3+])CCN1Cc1ccccc1 ZINC000237582752 402413723 /nfs/dbraw/zinc/41/37/23/402413723.db2.gz IEDZSPMSJRMGMI-DOTOQJQBSA-N 1 3 317.477 2.483 20 0 DEADHO C[C@@](C[NH3+])(NC(=O)c1cccc(CN2CCCC2)c1)C1CC1 ZINC000237643688 402416622 /nfs/dbraw/zinc/41/66/22/402416622.db2.gz ZCUJRWBBEQXAOS-SFHVURJKSA-N 1 3 301.434 2.140 20 0 DEADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](CN)c2ccccc2)C1 ZINC000237718142 402418833 /nfs/dbraw/zinc/41/88/33/402418833.db2.gz JNHPLRXPOJROEF-RDJZCZTQSA-N 1 3 317.477 2.356 20 0 DEADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](CN)c2ccccc2)C1 ZINC000237718142 402418838 /nfs/dbraw/zinc/41/88/38/402418838.db2.gz JNHPLRXPOJROEF-RDJZCZTQSA-N 1 3 317.477 2.356 20 0 DEADHO OC1(c2cccnc2)CCC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000186338548 402422956 /nfs/dbraw/zinc/42/29/56/402422956.db2.gz ZJEDPERKRXKVGZ-QGLXBCBXSA-N 1 3 315.461 2.428 20 0 DEADHO OC1(c2cccnc2)CCC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000186338548 402422959 /nfs/dbraw/zinc/42/29/59/402422959.db2.gz ZJEDPERKRXKVGZ-QGLXBCBXSA-N 1 3 315.461 2.428 20 0 DEADHO OC1(c2cccnc2)CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000186338548 402422961 /nfs/dbraw/zinc/42/29/61/402422961.db2.gz ZJEDPERKRXKVGZ-QGLXBCBXSA-N 1 3 315.461 2.428 20 0 DEADHO CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000237038745 402392293 /nfs/dbraw/zinc/39/22/93/402392293.db2.gz YTQHQVBSYIGDSZ-UAGQMJEPSA-N 1 3 303.450 2.313 20 0 DEADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@H](CN)c1ccccc1 ZINC000246165051 402514484 /nfs/dbraw/zinc/51/44/84/402514484.db2.gz APDLHXHHDDDXQK-IAGOWNOFSA-N 1 3 303.450 2.062 20 0 DEADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@H](CN)c1ccccc1 ZINC000246165051 402514487 /nfs/dbraw/zinc/51/44/87/402514487.db2.gz APDLHXHHDDDXQK-IAGOWNOFSA-N 1 3 303.450 2.062 20 0 DEADHO C[C@@]1(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC[NH2+]C1 ZINC000163620520 402453937 /nfs/dbraw/zinc/45/39/37/402453937.db2.gz KQWARAFUKVXYLI-XJKSGUPXSA-N 1 3 307.463 2.001 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(CN3CCOCC3)c2)CCN1C ZINC000163687102 402455177 /nfs/dbraw/zinc/45/51/77/402455177.db2.gz UAIXCXLGCUZZPS-APWZRJJASA-N 1 3 317.477 2.091 20 0 DEADHO C[C@@H]1C[C@@H](NCc2cccc(CN3CCOCC3)c2)CC[N@@H+]1C ZINC000163687102 402455180 /nfs/dbraw/zinc/45/51/80/402455180.db2.gz UAIXCXLGCUZZPS-APWZRJJASA-N 1 3 317.477 2.091 20 0 DEADHO C[C@@H]1C[C@@H](NCc2cccc(CN3CCOCC3)c2)CC[N@H+]1C ZINC000163687102 402455182 /nfs/dbraw/zinc/45/51/82/402455182.db2.gz UAIXCXLGCUZZPS-APWZRJJASA-N 1 3 317.477 2.091 20 0 DEADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000245400642 402455956 /nfs/dbraw/zinc/45/59/56/402455956.db2.gz YLDOVLMPLNLHGM-CVEARBPZSA-N 1 3 312.502 2.136 20 0 DEADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000245400642 402455959 /nfs/dbraw/zinc/45/59/59/402455959.db2.gz YLDOVLMPLNLHGM-CVEARBPZSA-N 1 3 312.502 2.136 20 0 DEADHO O=C(C[C@@H]1CCC[NH2+]1)NCc1ccccc1CN1CCCCC1 ZINC000163891102 402458774 /nfs/dbraw/zinc/45/87/74/402458774.db2.gz OBTXEKFAIJGTRD-SFHVURJKSA-N 1 3 315.461 2.431 20 0 DEADHO O=C(NC1CCN(C2CC2)CC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178097323 402460631 /nfs/dbraw/zinc/46/06/31/402460631.db2.gz MLTQTXMWPXILDN-HNNXBMFYSA-N 1 3 319.493 2.384 20 0 DEADHO O=C(NC1CCN(C2CC2)CC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178097323 402460633 /nfs/dbraw/zinc/46/06/33/402460633.db2.gz MLTQTXMWPXILDN-HNNXBMFYSA-N 1 3 319.493 2.384 20 0 DEADHO CC(C)(C)OC(=O)NCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000165769850 402478506 /nfs/dbraw/zinc/47/85/06/402478506.db2.gz UALLPDTYKNZTLI-UHFFFAOYSA-N 1 3 320.437 2.165 20 0 DEADHO CN1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1=O ZINC000245675732 402478685 /nfs/dbraw/zinc/47/86/85/402478685.db2.gz HZZLZZMFSVSIRV-XMTFNYHQSA-N 1 3 313.445 2.002 20 0 DEADHO C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000167544736 402492283 /nfs/dbraw/zinc/49/22/83/402492283.db2.gz UPSCXGJTARAMAC-ZMSDIMECSA-N 1 3 303.450 2.011 20 0 DEADHO C[C@@H]1CCN(C(=O)[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000246163658 402514638 /nfs/dbraw/zinc/51/46/38/402514638.db2.gz ANYZSXLASNXKBN-AEFFLSMTSA-N 1 3 315.461 2.109 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]CCN2CCCCC2)[C@@H](C)C1 ZINC000247242845 402561579 /nfs/dbraw/zinc/56/15/79/402561579.db2.gz ZBYDNBCHCTUBCH-ROUUACIJSA-N 1 3 311.514 2.199 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](NCCN2CCCCC2)[C@@H](C)C1 ZINC000247242845 402561580 /nfs/dbraw/zinc/56/15/80/402561580.db2.gz ZBYDNBCHCTUBCH-ROUUACIJSA-N 1 3 311.514 2.199 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](NCCN2CCCCC2)[C@@H](C)C1 ZINC000247242845 402561582 /nfs/dbraw/zinc/56/15/82/402561582.db2.gz ZBYDNBCHCTUBCH-ROUUACIJSA-N 1 3 311.514 2.199 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)CC1 ZINC000246173137 402515235 /nfs/dbraw/zinc/51/52/35/402515235.db2.gz GCUKMWFPTBJBQI-NVXWUHKLSA-N 1 3 324.513 2.233 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000246296573 402523193 /nfs/dbraw/zinc/52/31/93/402523193.db2.gz ACHHLDAVLSEVLZ-SJORKVTESA-N 1 3 324.513 2.138 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000246296573 402523195 /nfs/dbraw/zinc/52/31/95/402523195.db2.gz ACHHLDAVLSEVLZ-SJORKVTESA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](CNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000246368095 402527398 /nfs/dbraw/zinc/52/73/98/402527398.db2.gz QORTUEGBHXJOEB-QBPKDAKJSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@H](CNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000246368095 402527400 /nfs/dbraw/zinc/52/74/00/402527400.db2.gz QORTUEGBHXJOEB-QBPKDAKJSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CN1C1CC1 ZINC000246370434 402527570 /nfs/dbraw/zinc/52/75/70/402527570.db2.gz IBRGODYZIPIMRT-IJEWVQPXSA-N 1 3 324.513 2.277 20 0 DEADHO NC1(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CCCC1 ZINC000178722110 402530935 /nfs/dbraw/zinc/53/09/35/402530935.db2.gz GUSQOUAOWPRQRY-UHFFFAOYSA-N 1 3 307.482 2.373 20 0 DEADHO NC1(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CCCC1 ZINC000178722110 402530938 /nfs/dbraw/zinc/53/09/38/402530938.db2.gz GUSQOUAOWPRQRY-UHFFFAOYSA-N 1 3 307.482 2.373 20 0 DEADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000248761556 402607604 /nfs/dbraw/zinc/60/76/04/402607604.db2.gz YEEAONLDJJBEMY-HZPDHXFCSA-N 1 3 324.513 2.090 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171776659 402621699 /nfs/dbraw/zinc/62/16/99/402621699.db2.gz DGCXZKZFDZMDER-IAGOWNOFSA-N 1 3 322.497 2.131 20 0 DEADHO CC[C@H](C)[C@@H](N)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000182698109 402709498 /nfs/dbraw/zinc/70/94/98/402709498.db2.gz FLLFSPOGOAMLQT-DOTOQJQBSA-N 1 3 309.498 2.474 20 0 DEADHO Cc1cc(NC(=O)[C@H](C)[C@@H](C)[NH3+])ccc1OCCN1CCCC1 ZINC000192117563 402712465 /nfs/dbraw/zinc/71/24/65/402712465.db2.gz GDWTZUYQIMLBLE-HUUCEWRRSA-N 1 3 319.449 2.391 20 0 DEADHO CCC[C@](C)([NH3+])C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000262570792 402727392 /nfs/dbraw/zinc/72/73/92/402727392.db2.gz MYEXGHQLRFKFKO-KDOFPFPSSA-N 1 3 318.465 2.241 20 0 DEADHO C[C@H]1NCCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H]1C ZINC000262919719 402736569 /nfs/dbraw/zinc/73/65/69/402736569.db2.gz ZGEXJUXQRZSTRC-HUUCEWRRSA-N 1 3 301.434 2.105 20 0 DEADHO CCOC[C@@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192740924 402747640 /nfs/dbraw/zinc/74/76/40/402747640.db2.gz OOSJZAQIANRLHW-GOSISDBHSA-N 1 3 311.514 2.151 20 0 DEADHO CCOC[C@@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192740924 402747642 /nfs/dbraw/zinc/74/76/42/402747642.db2.gz OOSJZAQIANRLHW-GOSISDBHSA-N 1 3 311.514 2.151 20 0 DEADHO C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)N(C)C1CC1 ZINC000174739413 402754432 /nfs/dbraw/zinc/75/44/32/402754432.db2.gz TZPVBOBVZISLNY-GOEBONIOSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N(C)C1CC1 ZINC000174739413 402754436 /nfs/dbraw/zinc/75/44/36/402754436.db2.gz TZPVBOBVZISLNY-GOEBONIOSA-N 1 3 322.497 2.033 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H](C)N2CCCCCC2)C1 ZINC000174757115 402755912 /nfs/dbraw/zinc/75/59/12/402755912.db2.gz LFCNQVHGOWAYLR-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO Cc1nn(C)c(C)c1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173958418 402722049 /nfs/dbraw/zinc/72/20/49/402722049.db2.gz AEEJYQMAVBLGSX-UHFFFAOYSA-N 1 3 320.481 2.114 20 0 DEADHO COc1cc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)ccc1C ZINC000278882584 402881754 /nfs/dbraw/zinc/88/17/54/402881754.db2.gz OJMQNHQAMAGJQC-ROUUACIJSA-N 1 3 318.461 2.471 20 0 DEADHO Cc1ccc([C@H](CNC(=O)/C=C/C[NH+](C)C)N2CCCC2)cc1 ZINC000265685603 402940200 /nfs/dbraw/zinc/94/02/00/402940200.db2.gz XDBCFGJWRIFZAO-DKFQHHCZSA-N 1 3 315.461 2.366 20 0 DEADHO CC[NH+](CC)Cc1cccc(CNC(=O)/C=C/CN(C)C)c1 ZINC000265688805 402940554 /nfs/dbraw/zinc/94/05/54/402940554.db2.gz XZGKBLSRDDKRAR-DHZHZOJOSA-N 1 3 303.450 2.262 20 0 DEADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCN(C)Cc1ccccc1 ZINC000273197459 402981642 /nfs/dbraw/zinc/98/16/42/402981642.db2.gz JDYQHCSJLXOKNU-HNNXBMFYSA-N 1 3 305.466 2.401 20 0 DEADHO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)[C@H](C1CC1)N1CCCC1 ZINC000566638645 292258291 /nfs/dbraw/zinc/25/82/91/292258291.db2.gz SKEBFXPDYKKTKD-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)[C@H](C1CC1)N1CCCC1 ZINC000566638645 292258292 /nfs/dbraw/zinc/25/82/92/292258292.db2.gz SKEBFXPDYKKTKD-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO CC1(C[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CC1 ZINC000566714168 292262602 /nfs/dbraw/zinc/26/26/02/292262602.db2.gz KJHUQSCYNNPORY-UHFFFAOYSA-N 1 3 315.461 2.402 20 0 DEADHO COc1ccc(C[C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000282362187 403146558 /nfs/dbraw/zinc/14/65/58/403146558.db2.gz PUXOBVCSEMBUJC-INIZCTEOSA-N 1 3 319.493 2.242 20 0 DEADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccccc1N(C)C ZINC000282374237 403147679 /nfs/dbraw/zinc/14/76/79/403147679.db2.gz QJYPCOLGIPKVQZ-MRXNPFEDSA-N 1 3 318.509 2.429 20 0 DEADHO CCOCC[C@@H](O)CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000277657646 403242108 /nfs/dbraw/zinc/24/21/08/403242108.db2.gz IUJLVUXARQMVCC-RTBURBONSA-N 1 3 320.477 2.228 20 0 DEADHO CCOCC[C@@H](O)CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000277657646 403242109 /nfs/dbraw/zinc/24/21/09/403242109.db2.gz IUJLVUXARQMVCC-RTBURBONSA-N 1 3 320.477 2.228 20 0 DEADHO c1ncn(Cc2ccc(CNC3CC[NH+](C4CC4)CC3)cc2)n1 ZINC000298260398 403343498 /nfs/dbraw/zinc/34/34/98/403343498.db2.gz FMDBUOGSTSCSEM-UHFFFAOYSA-N 1 3 311.433 2.043 20 0 DEADHO CN1CCC(NC(=O)c2ccccc2CC2CC[NH2+]CC2)CC1 ZINC000342694596 403311749 /nfs/dbraw/zinc/31/17/49/403311749.db2.gz OGPYARFAWVMRAL-UHFFFAOYSA-N 1 3 315.461 2.053 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)N[C@@H](CN(C)C)c2ccccc2)CCC[N@@H+]1C ZINC000345401830 403319155 /nfs/dbraw/zinc/31/91/55/403319155.db2.gz BQKUNVJUXWPBKW-PVAVHDDUSA-N 1 3 318.465 2.071 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)N[C@@H](CN(C)C)c2ccccc2)CCC[N@H+]1C ZINC000345401830 403319158 /nfs/dbraw/zinc/31/91/58/403319158.db2.gz BQKUNVJUXWPBKW-PVAVHDDUSA-N 1 3 318.465 2.071 20 0 DEADHO CCC1CC([NH2+][C@H](Cc2ccccc2)C(=O)NCCN(C)C)C1 ZINC000342720452 403320787 /nfs/dbraw/zinc/32/07/87/403320787.db2.gz BTBPRSWGFHKCQP-VMWRSERWSA-N 1 3 317.477 2.054 20 0 DEADHO CN1CCC(O)(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000339069634 403342684 /nfs/dbraw/zinc/34/26/84/403342684.db2.gz YTQJZBXBTKZTCZ-AEFFLSMTSA-N 1 3 318.461 2.201 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2CC(C)(C)[C@@H]3CCC[C@@H]32)CC1 ZINC000339715257 403427527 /nfs/dbraw/zinc/42/75/27/403427527.db2.gz CGPYQRQEZJHRQK-SJORKVTESA-N 1 3 321.509 2.486 20 0 DEADHO C[C@H](CNC(=O)NCCN1CCC[C@H](C)C1)C[NH+]1CCCCC1 ZINC000339747258 403437806 /nfs/dbraw/zinc/43/78/06/403437806.db2.gz FLVROSIIWAYHQK-DLBZAZTESA-N 1 3 324.513 2.140 20 0 DEADHO C[C@@H](CNC(=O)NCCN1CCC[C@H](C)C1)C[NH+]1CCCCC1 ZINC000339747260 403438082 /nfs/dbraw/zinc/43/80/82/403438082.db2.gz FLVROSIIWAYHQK-IRXDYDNUSA-N 1 3 324.513 2.140 20 0 DEADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000566857157 292273108 /nfs/dbraw/zinc/27/31/08/292273108.db2.gz LBDIDTIFCWPVSA-ZIAGYGMSSA-N 1 3 305.422 2.083 20 0 DEADHO CN(C)CC[C@H]([NH2+]Cc1ccc2c(c1)NC(=O)CO2)C(C)(C)C ZINC000293503464 403489242 /nfs/dbraw/zinc/48/92/42/403489242.db2.gz BQQUMMPUAJBSHU-INIZCTEOSA-N 1 3 319.449 2.474 20 0 DEADHO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000339950223 403503615 /nfs/dbraw/zinc/50/36/15/403503615.db2.gz YYBCDPIKQSDXMD-RDJZCZTQSA-N 1 3 320.481 2.319 20 0 DEADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(CN(C)C)cc1 ZINC000287396993 403590158 /nfs/dbraw/zinc/59/01/58/403590158.db2.gz YREDZFGJDIUSBK-CRAIPNDOSA-N 1 3 315.461 2.447 20 0 DEADHO Cn1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(-c2cccnc2)n1 ZINC000346831626 403604595 /nfs/dbraw/zinc/60/45/95/403604595.db2.gz QIYFCKXSRJFVLG-UAGQMJEPSA-N 1 3 311.433 2.041 20 0 DEADHO CC(C)[C@H](Cn1cccn1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000340538156 403641046 /nfs/dbraw/zinc/64/10/46/403641046.db2.gz UBCVJSGNUKKVDV-KSZLIROESA-N 1 3 322.497 2.387 20 0 DEADHO c1cc(N2CCC([NH2+][C@H]3CCN4CCCC[C@@H]34)CC2)ccn1 ZINC000294213971 403674230 /nfs/dbraw/zinc/67/42/30/403674230.db2.gz MUKKIWOPVZWFPV-ROUUACIJSA-N 1 3 300.450 2.267 20 0 DEADHO C[C@H]1[C@@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)CCCN1C ZINC000343659001 403681561 /nfs/dbraw/zinc/68/15/61/403681561.db2.gz RXNINDFOZOEGAM-RDJZCZTQSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@H]1[C@@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)CCCN1C ZINC000343659001 403681563 /nfs/dbraw/zinc/68/15/63/403681563.db2.gz RXNINDFOZOEGAM-RDJZCZTQSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCCC[C@@H]1C ZINC000340937192 403705492 /nfs/dbraw/zinc/70/54/92/403705492.db2.gz LAMSELRHIQQIGX-NXOAAHMSSA-N 1 3 322.497 2.127 20 0 DEADHO C[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCCC[C@@H]1C ZINC000340937192 403705494 /nfs/dbraw/zinc/70/54/94/403705494.db2.gz LAMSELRHIQQIGX-NXOAAHMSSA-N 1 3 322.497 2.127 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000343872869 403770457 /nfs/dbraw/zinc/77/04/57/403770457.db2.gz MRCJSXNCDHSQCL-VYDXJSESSA-N 1 3 303.450 2.011 20 0 DEADHO CN1CCC(CC(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000347534238 403744025 /nfs/dbraw/zinc/74/40/25/403744025.db2.gz WSSJKKMQHCEGBD-UHFFFAOYSA-N 1 3 303.450 2.096 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N[C@H]1CCN(C)[C@H](C)C1)C(C)C ZINC000347713777 403821235 /nfs/dbraw/zinc/82/12/35/403821235.db2.gz XUBRNGXQAFMZKI-CVEARBPZSA-N 1 3 312.502 2.277 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N1CCN(C)CC[C@@H]1C)C(C)C ZINC000347725549 403828124 /nfs/dbraw/zinc/82/81/24/403828124.db2.gz UHKAANCCIAHETO-INIZCTEOSA-N 1 3 312.502 2.231 20 0 DEADHO C[C@H](NC1CC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000295287734 403832225 /nfs/dbraw/zinc/83/22/25/403832225.db2.gz WVIHOUFPBIDSQN-RVKKMQEKSA-N 1 3 315.461 2.154 20 0 DEADHO C[C@H](NC1CC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000295287734 403832232 /nfs/dbraw/zinc/83/22/32/403832232.db2.gz WVIHOUFPBIDSQN-RVKKMQEKSA-N 1 3 315.461 2.154 20 0 DEADHO CC[C@@H](CCO)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000305105079 403833467 /nfs/dbraw/zinc/83/34/67/403833467.db2.gz ZDWALUFLOOJPMC-KRWDZBQOSA-N 1 3 319.493 2.468 20 0 DEADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000288860789 403782920 /nfs/dbraw/zinc/78/29/20/403782920.db2.gz XRCFGPXXFCWSFR-GDBMZVCRSA-N 1 3 321.440 2.104 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCCCC1 ZINC000354594762 403894801 /nfs/dbraw/zinc/89/48/01/403894801.db2.gz FZBTUDYFVJCRKB-IXDOHACOSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CCCCC1 ZINC000354594762 403894805 /nfs/dbraw/zinc/89/48/05/403894805.db2.gz FZBTUDYFVJCRKB-IXDOHACOSA-N 1 3 307.482 2.240 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000341300414 403895032 /nfs/dbraw/zinc/89/50/32/403895032.db2.gz QGICIPQUABJBMX-WBVHZDCISA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H](CNC(=O)N(C)[C@H](C)C1CCN(C)CC1)C[NH+]1CCCC1 ZINC000351700397 403860267 /nfs/dbraw/zinc/86/02/67/403860267.db2.gz RBPIJXFSLYIUFV-HZPDHXFCSA-N 1 3 324.513 2.090 20 0 DEADHO CCO[C@@H]1C[C@H](N[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C12CCC2 ZINC000422783657 286398966 /nfs/dbraw/zinc/39/89/66/286398966.db2.gz OPRVXVFQMPIHFL-JZAWBGDQSA-N 1 3 308.466 2.081 20 0 DEADHO C[C@@H]([NH3+])[C@H]1CCN(CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000351856233 403965789 /nfs/dbraw/zinc/96/57/89/403965789.db2.gz UTVZFAYCGUVUQG-MNOVXSKESA-N 1 3 313.804 2.477 20 0 DEADHO CN(C)CCN(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCCC1 ZINC000344144039 403938542 /nfs/dbraw/zinc/93/85/42/403938542.db2.gz VTMIHFSDHRXFGH-SJORKVTESA-N 1 3 322.497 2.129 20 0 DEADHO CN(C)CCN(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C1CCCC1 ZINC000344144039 403938545 /nfs/dbraw/zinc/93/85/45/403938545.db2.gz VTMIHFSDHRXFGH-SJORKVTESA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000289782657 403998616 /nfs/dbraw/zinc/99/86/16/403998616.db2.gz MUKOGSNTMWCRJV-SIZVQLJJSA-N 1 3 302.462 2.471 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000289782657 403998620 /nfs/dbraw/zinc/99/86/20/403998620.db2.gz MUKOGSNTMWCRJV-SIZVQLJJSA-N 1 3 302.462 2.471 20 0 DEADHO CN(C)C(=O)CC[NH+]1CCC(N[C@H]2CCc3ccccc32)CC1 ZINC000348015487 404006718 /nfs/dbraw/zinc/00/67/18/404006718.db2.gz XVKSNUCKACGVTN-SFHVURJKSA-N 1 3 315.461 2.206 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000290204157 404080065 /nfs/dbraw/zinc/08/00/65/404080065.db2.gz RQDVZUVQWVTUTC-IRXDYDNUSA-N 1 3 321.440 2.104 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCN(C)Cc1ccccc1 ZINC000290117747 404048909 /nfs/dbraw/zinc/04/89/09/404048909.db2.gz ZBNBSTJHPQIYER-IRXDYDNUSA-N 1 3 303.450 2.013 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000341618688 404072033 /nfs/dbraw/zinc/07/20/33/404072033.db2.gz TUXPCLRSZTYMHO-UXLLHSPISA-N 1 3 322.497 2.033 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000341618688 404072038 /nfs/dbraw/zinc/07/20/38/404072038.db2.gz TUXPCLRSZTYMHO-UXLLHSPISA-N 1 3 322.497 2.033 20 0 DEADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000349642475 404170798 /nfs/dbraw/zinc/17/07/98/404170798.db2.gz BIUAXCUCWLEDTE-MRXNPFEDSA-N 1 3 324.513 2.400 20 0 DEADHO C[C@H]([NH2+]CCc1cnccn1)c1cccc(OCCN(C)C)c1 ZINC000341885436 404234909 /nfs/dbraw/zinc/23/49/09/404234909.db2.gz XFNBUOCNUKRIPV-HNNXBMFYSA-N 1 3 314.433 2.310 20 0 DEADHO Cc1ncc([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)c(C)n1 ZINC000329191222 404259502 /nfs/dbraw/zinc/25/95/02/404259502.db2.gz SFADDGMAGGDEOK-KKXDTOCCSA-N 1 3 318.465 2.122 20 0 DEADHO COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCC[C@@H]1CCC[N@@H+]1C ZINC000342085725 404357545 /nfs/dbraw/zinc/35/75/45/404357545.db2.gz MXQJGULASBSZDR-RYQLBKOJSA-N 1 3 318.461 2.481 20 0 DEADHO COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCC[C@@H]1CCC[N@H+]1C ZINC000342085725 404357552 /nfs/dbraw/zinc/35/75/52/404357552.db2.gz MXQJGULASBSZDR-RYQLBKOJSA-N 1 3 318.461 2.481 20 0 DEADHO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]CC[C@@H]1CCCN1C ZINC000342085725 404357561 /nfs/dbraw/zinc/35/75/61/404357561.db2.gz MXQJGULASBSZDR-RYQLBKOJSA-N 1 3 318.461 2.481 20 0 DEADHO CC[C@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)N(CC)CC ZINC000344711853 404324066 /nfs/dbraw/zinc/32/40/66/404324066.db2.gz OGZOWTVASPZMAE-DOTOQJQBSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)N(CC)CC ZINC000344711853 404324073 /nfs/dbraw/zinc/32/40/73/404324073.db2.gz OGZOWTVASPZMAE-DOTOQJQBSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]CCO2)N1CCCCCC1 ZINC000291127871 404373957 /nfs/dbraw/zinc/37/39/57/404373957.db2.gz VUWVENHTMNDNDQ-AWEZNQCLSA-N 1 3 317.433 2.372 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000350521041 404413195 /nfs/dbraw/zinc/41/31/95/404413195.db2.gz VUCWODMBPNCGNA-IXDOHACOSA-N 1 3 322.497 2.129 20 0 DEADHO CN(C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CCN(C)CC1 ZINC000373025047 404525393 /nfs/dbraw/zinc/52/53/93/404525393.db2.gz KIJGVAHGFCUOIY-KRWDZBQOSA-N 1 3 307.482 2.336 20 0 DEADHO CN(C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C1CCN(C)CC1 ZINC000373025047 404525395 /nfs/dbraw/zinc/52/53/95/404525395.db2.gz KIJGVAHGFCUOIY-KRWDZBQOSA-N 1 3 307.482 2.336 20 0 DEADHO CC[N@H+](CCNC(=O)NCCN(C)Cc1ccccc1)C(C)C ZINC000338830988 404571330 /nfs/dbraw/zinc/57/13/30/404571330.db2.gz RIHOQFZTPMOPNY-UHFFFAOYSA-N 1 3 320.481 2.148 20 0 DEADHO CC[N@@H+](CCNC(=O)NCCN(C)Cc1ccccc1)C(C)C ZINC000338830988 404571339 /nfs/dbraw/zinc/57/13/39/404571339.db2.gz RIHOQFZTPMOPNY-UHFFFAOYSA-N 1 3 320.481 2.148 20 0 DEADHO CC(C)[C@@H](N)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000292043640 404641726 /nfs/dbraw/zinc/64/17/26/404641726.db2.gz IKMRZSRACLELKB-BPQIPLTHSA-N 1 3 317.477 2.481 20 0 DEADHO CC(C)[C@@H](N)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000292043640 404641732 /nfs/dbraw/zinc/64/17/32/404641732.db2.gz IKMRZSRACLELKB-BPQIPLTHSA-N 1 3 317.477 2.481 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2C[C@H](O)C[C@H](C)C2)CC1 ZINC000414530145 404668963 /nfs/dbraw/zinc/66/89/63/404668963.db2.gz WZZIPVDCAYNNQE-FUHWJXTLSA-N 1 3 317.477 2.031 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2C[C@H](O)C[C@H](C)C2)CC1 ZINC000414530145 404668968 /nfs/dbraw/zinc/66/89/68/404668968.db2.gz WZZIPVDCAYNNQE-FUHWJXTLSA-N 1 3 317.477 2.031 20 0 DEADHO C[NH+]1CCC2(CCCN(C(=O)C3CCN(C4CC4)CC3)C2)CC1 ZINC000374111992 404692460 /nfs/dbraw/zinc/69/24/60/404692460.db2.gz AFENORNQSKVIPA-UHFFFAOYSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@@H]1C[C@@H](CN2CCN(CCc3ccccc3)CC2)CC[NH2+]1 ZINC000414682199 404706985 /nfs/dbraw/zinc/70/69/85/404706985.db2.gz QXHHCNDXDIPXAO-MJGOQNOKSA-N 1 3 301.478 2.235 20 0 DEADHO C[C@@H]1C[C@@H](CN2CCN(CCOc3ccccc3)CC2)CC[NH2+]1 ZINC000414682497 404707367 /nfs/dbraw/zinc/70/73/67/404707367.db2.gz RHKVBPJBSUGYIC-MSOLQXFVSA-N 1 3 317.477 2.071 20 0 DEADHO CCOC(=O)c1ccc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000414784422 404734531 /nfs/dbraw/zinc/73/45/31/404734531.db2.gz RENDBKUBBZJXLH-UONOGXRCSA-N 1 3 306.406 2.278 20 0 DEADHO Cc1nc(COc2ccc(CN[C@H]3CCC[C@@H]3C[NH3+])cc2)no1 ZINC000414794121 404737760 /nfs/dbraw/zinc/73/77/60/404737760.db2.gz LKJKCAVAHCHBOD-ZBFHGGJFSA-N 1 3 316.405 2.174 20 0 DEADHO C[C@@H](CN)C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000414876022 404754459 /nfs/dbraw/zinc/75/44/59/404754459.db2.gz KQOBLGZFSQHWDW-LBPRGKRZSA-N 1 3 309.841 2.129 20 0 DEADHO CC[C@H]1CCCCN1C(=O)[C@H](C)N1CCC2(C1)CC[NH2+]CC2 ZINC000358507098 404765020 /nfs/dbraw/zinc/76/50/20/404765020.db2.gz NCCZCENQCJFRRV-HOTGVXAUSA-N 1 3 307.482 2.242 20 0 DEADHO C[NH+](C)CCOc1cccc(NC(=O)C23CCCN2CCC3)c1 ZINC000414928748 404768229 /nfs/dbraw/zinc/76/82/29/404768229.db2.gz MRDHQNBLUKUKQP-UHFFFAOYSA-N 1 3 317.433 2.194 20 0 DEADHO CCN1CCN(c2ccccc2CN[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000414933128 404769621 /nfs/dbraw/zinc/76/96/21/404769621.db2.gz ANGRVLJASZRKCE-AEFFLSMTSA-N 1 3 316.493 2.059 20 0 DEADHO CC(C)C[N@@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414701807 404711589 /nfs/dbraw/zinc/71/15/89/404711589.db2.gz KWZLYBNKYBEMQB-GOSISDBHSA-N 1 3 317.477 2.342 20 0 DEADHO CC(C)C[N@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414701807 404711593 /nfs/dbraw/zinc/71/15/93/404711593.db2.gz KWZLYBNKYBEMQB-GOSISDBHSA-N 1 3 317.477 2.342 20 0 DEADHO C[C@@H]1C[C@@H](CN(C)Cc2cn(C)nc2C(F)(F)F)CC[NH2+]1 ZINC000414708953 404713264 /nfs/dbraw/zinc/71/32/64/404713264.db2.gz OHDMQRSNKWJBHM-MNOVXSKESA-N 1 3 304.360 2.259 20 0 DEADHO C[C@H]1C[C@@H](CN(C)Cc2cn(C)nc2C(F)(F)F)CC[NH2+]1 ZINC000414708955 404713509 /nfs/dbraw/zinc/71/35/09/404713509.db2.gz OHDMQRSNKWJBHM-QWRGUYRKSA-N 1 3 304.360 2.259 20 0 DEADHO CC[C@@H]1Cc2ccccc2C[N@@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414733115 404719238 /nfs/dbraw/zinc/71/92/38/404719238.db2.gz CMZVCHPYFNTPMD-MAUKXSAKSA-N 1 3 315.461 2.021 20 0 DEADHO CC[C@@H]1Cc2ccccc2C[N@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414733115 404719240 /nfs/dbraw/zinc/71/92/40/404719240.db2.gz CMZVCHPYFNTPMD-MAUKXSAKSA-N 1 3 315.461 2.021 20 0 DEADHO C[C@@H]1C[C@H](CN2CCN(C(=O)CC3CCCCC3)CC2)CC[NH2+]1 ZINC000414754410 404724973 /nfs/dbraw/zinc/72/49/73/404724973.db2.gz XUGJVNFJQXTEBJ-SJLPKXTDSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000358918521 404779005 /nfs/dbraw/zinc/77/90/05/404779005.db2.gz WNFJORRSJRKREW-IYBDPMFKSA-N 1 3 303.450 2.237 20 0 DEADHO Cn1nccc1CCN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377338111 404836271 /nfs/dbraw/zinc/83/62/71/404836271.db2.gz UBIRKESKRYVAPZ-RTBURBONSA-N 1 3 324.472 2.417 20 0 DEADHO Cn1nccc1CCN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377338111 404836272 /nfs/dbraw/zinc/83/62/72/404836272.db2.gz UBIRKESKRYVAPZ-RTBURBONSA-N 1 3 324.472 2.417 20 0 DEADHO c1nc([C@@H]2CCCO2)sc1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415009441 404787568 /nfs/dbraw/zinc/78/75/68/404787568.db2.gz OCBKQGNEQHVLGA-ZNMIVQPWSA-N 1 3 307.463 2.472 20 0 DEADHO [NH3+]C[C@H]1CC[C@H](NCc2cn(-c3ccc(F)cc3Cl)nn2)C1 ZINC000415048705 404795491 /nfs/dbraw/zinc/79/54/91/404795491.db2.gz XFMVKGWQWCSBTP-JQWIXIFHSA-N 1 3 323.803 2.277 20 0 DEADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2cccc3c2NCC3)CC1 ZINC000415106551 404808717 /nfs/dbraw/zinc/80/87/17/404808717.db2.gz JRHPDXZAXNTJQE-MJGOQNOKSA-N 1 3 315.461 2.373 20 0 DEADHO CN(C)c1ccccc1CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415115919 404810514 /nfs/dbraw/zinc/81/05/14/404810514.db2.gz AOSHWLWEIVRGMQ-IEBWSBKVSA-N 1 3 317.477 2.471 20 0 DEADHO Cc1cc([C@H](C)[NH2+]C[C@H]2CCCN(C(=O)CN)C2)c(C)s1 ZINC000415127201 404814235 /nfs/dbraw/zinc/81/42/35/404814235.db2.gz VLIGNUKDELSTGN-GXTWGEPZSA-N 1 3 309.479 2.213 20 0 DEADHO COc1cccc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000415135983 404816600 /nfs/dbraw/zinc/81/66/00/404816600.db2.gz WWWCJJGAHDXYJR-ROUUACIJSA-N 1 3 304.434 2.414 20 0 DEADHO [NH3+]C1(CNCc2cccnc2)CCN(Cc2ccccc2)CC1 ZINC000415136276 404816703 /nfs/dbraw/zinc/81/67/03/404816703.db2.gz REVNEWKGONWGHG-UHFFFAOYSA-N 1 3 310.445 2.165 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(OC)c(O)c2)CC1 ZINC000353381441 404818592 /nfs/dbraw/zinc/81/85/92/404818592.db2.gz FGMGWGMPYOFYGG-HUUCEWRRSA-N 1 3 321.465 2.077 20 0 DEADHO COC[C@@]1(C[NH2+][C@H](C)CCc2ccc3c(c2)OCO3)CCCN1 ZINC000414950942 404773564 /nfs/dbraw/zinc/77/35/64/404773564.db2.gz FYVOHLOUCYHUTJ-KDOFPFPSSA-N 1 3 320.433 2.095 20 0 DEADHO CCc1noc(C2CCC(NC[C@@]3(COC)CCC[NH2+]3)CC2)n1 ZINC000414947954 404773641 /nfs/dbraw/zinc/77/36/41/404773641.db2.gz WGITUSMNAOOGQD-MQBCKMQZSA-N 1 3 322.453 2.016 20 0 DEADHO COC[C@]1(C[NH2+][C@H](C)CCc2ccc3c(c2)OCO3)CCCN1 ZINC000414950948 404773690 /nfs/dbraw/zinc/77/36/90/404773690.db2.gz FYVOHLOUCYHUTJ-RDTXWAMCSA-N 1 3 320.433 2.095 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)NCCC[NH2+]C1CC1 ZINC000415555522 404883274 /nfs/dbraw/zinc/88/32/74/404883274.db2.gz BUUBKLHLCCBFGY-UHFFFAOYSA-N 1 3 304.438 2.054 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000415582267 404889574 /nfs/dbraw/zinc/88/95/74/404889574.db2.gz UFXIKZRCPPXGNN-OAHLLOKOSA-N 1 3 304.438 2.136 20 0 DEADHO O[C@@H]1CCN(Cc2cccc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)C1 ZINC000361042702 404891517 /nfs/dbraw/zinc/89/15/17/404891517.db2.gz CASXWZPQDBKEQT-GUDVDZBRSA-N 1 3 315.461 2.292 20 0 DEADHO O[C@@H]1CCN(Cc2cccc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2)C1 ZINC000361042702 404891521 /nfs/dbraw/zinc/89/15/21/404891521.db2.gz CASXWZPQDBKEQT-GUDVDZBRSA-N 1 3 315.461 2.292 20 0 DEADHO CC(C)N1CCN(c2cccc(NC(=O)[C@@H](C)[C@@H](C)[NH3+])c2)CC1 ZINC000423855459 404892339 /nfs/dbraw/zinc/89/23/39/404892339.db2.gz WUTUYZGCTHIRAA-LSDHHAIUSA-N 1 3 318.465 2.139 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000360888741 404845096 /nfs/dbraw/zinc/84/50/96/404845096.db2.gz ONPABSDVEQDYBG-ULQDDVLXSA-N 1 3 324.513 2.233 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000360888741 404845097 /nfs/dbraw/zinc/84/50/97/404845097.db2.gz ONPABSDVEQDYBG-ULQDDVLXSA-N 1 3 324.513 2.233 20 0 DEADHO CCc1nocc1CN(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000353503806 404850344 /nfs/dbraw/zinc/85/03/44/404850344.db2.gz PXHKDQSGGFZNEQ-INIZCTEOSA-N 1 3 308.470 2.085 20 0 DEADHO CCc1nocc1CN(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000353503806 404850345 /nfs/dbraw/zinc/85/03/45/404850345.db2.gz PXHKDQSGGFZNEQ-INIZCTEOSA-N 1 3 308.470 2.085 20 0 DEADHO C[C@@H]([NH2+]C[C@H](CO)C1CC1)c1ccc(OCCN(C)C)cc1 ZINC000353509034 404852414 /nfs/dbraw/zinc/85/24/14/404852414.db2.gz IMRIWZKJGOBEJC-RHSMWYFYSA-N 1 3 306.450 2.296 20 0 DEADHO CC(=O)Nc1ccccc1CN1CCC(OCC[NH+](C)C)CC1 ZINC000353526362 404856692 /nfs/dbraw/zinc/85/66/92/404856692.db2.gz IQGHETJBFUQGHZ-UHFFFAOYSA-N 1 3 319.449 2.188 20 0 DEADHO CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000415921846 404972481 /nfs/dbraw/zinc/97/24/81/404972481.db2.gz RKKQMZWPOIQVJH-WMLDXEAASA-N 1 3 316.449 2.354 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)N1CCN[C@H](C)[C@H]1C)CC(C)C ZINC000416943021 404969460 /nfs/dbraw/zinc/96/94/60/404969460.db2.gz BRXKNANQKSBQCT-OAGGEKHMSA-N 1 3 312.502 2.135 20 0 DEADHO C[C@@H]1CCCC[C@H]1C[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000353674042 404914219 /nfs/dbraw/zinc/91/42/19/404914219.db2.gz RFSSZNBQBXVRDJ-SJORKVTESA-N 1 3 309.498 2.395 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)NCC1([NH3+])CCC1)c1ccccc1 ZINC000416832489 404928140 /nfs/dbraw/zinc/92/81/40/404928140.db2.gz BSWGCTRHDSBGET-INIZCTEOSA-N 1 3 318.465 2.250 20 0 DEADHO CCC([NH3+])(CC)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000416844976 404931835 /nfs/dbraw/zinc/93/18/35/404931835.db2.gz QSWYDRQGWWKNAV-MRXNPFEDSA-N 1 3 318.465 2.078 20 0 DEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)NCCN1CCC[C@@H](C)C1 ZINC000361283522 405007109 /nfs/dbraw/zinc/00/71/09/405007109.db2.gz YPKUXDLHNUOMLV-IAGOWNOFSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCCN1CCC[C@H](C)C1 ZINC000361283523 405007877 /nfs/dbraw/zinc/00/78/77/405007877.db2.gz YPKUXDLHNUOMLV-IRXDYDNUSA-N 1 3 324.513 2.282 20 0 DEADHO COCC1(CN2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CCC1 ZINC000361289252 405010697 /nfs/dbraw/zinc/01/06/97/405010697.db2.gz PWWSDFQGALYQNJ-ROUUACIJSA-N 1 3 323.525 2.294 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H](C)C(C)(C)C2)CC1 ZINC000354031913 405011433 /nfs/dbraw/zinc/01/14/33/405011433.db2.gz QXOURPHYYIXMHZ-OAHLLOKOSA-N 1 3 309.498 2.343 20 0 DEADHO C[N@H+](Cc1ccccc1CNC(=O)[C@@H]1C[C@@H]1N)C1CCCCC1 ZINC000424140129 405019268 /nfs/dbraw/zinc/01/92/68/405019268.db2.gz BGKZIIQQBNAKEV-MSOLQXFVSA-N 1 3 315.461 2.415 20 0 DEADHO C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]1C[C@@H]1N)C1CCCCC1 ZINC000424140129 405019271 /nfs/dbraw/zinc/01/92/71/405019271.db2.gz BGKZIIQQBNAKEV-MSOLQXFVSA-N 1 3 315.461 2.415 20 0 DEADHO C[C@H](CCCC[NH3+])NC(=O)NCc1cccc(CN(C)C)c1 ZINC000417066791 405024290 /nfs/dbraw/zinc/02/42/90/405024290.db2.gz LZBUSMFDOAWBBA-CQSZACIVSA-N 1 3 306.454 2.065 20 0 DEADHO CC[N@@H+]1CC[C@H](CNC(=O)C[C@@H](c2ccccc2)N(C)C)C1 ZINC000416132796 405031184 /nfs/dbraw/zinc/03/11/84/405031184.db2.gz LZNQWNREOSUPFB-WBVHZDCISA-N 1 3 303.450 2.137 20 0 DEADHO CC[N@H+]1CC[C@H](CNC(=O)C[C@@H](c2ccccc2)N(C)C)C1 ZINC000416132796 405031189 /nfs/dbraw/zinc/03/11/89/405031189.db2.gz LZNQWNREOSUPFB-WBVHZDCISA-N 1 3 303.450 2.137 20 0 DEADHO CC[N@@H+]1CC[C@@H](CNC(=O)C[C@@H](c2ccccc2)N(C)C)C1 ZINC000416132795 405031226 /nfs/dbraw/zinc/03/12/26/405031226.db2.gz LZNQWNREOSUPFB-RDJZCZTQSA-N 1 3 303.450 2.137 20 0 DEADHO CC[N@H+]1CC[C@@H](CNC(=O)C[C@@H](c2ccccc2)N(C)C)C1 ZINC000416132795 405031230 /nfs/dbraw/zinc/03/12/30/405031230.db2.gz LZNQWNREOSUPFB-RDJZCZTQSA-N 1 3 303.450 2.137 20 0 DEADHO COC(=O)COc1c(C)cc(CN2CC[C@H]([C@H](C)[NH3+])C2)cc1C ZINC000435374125 404975308 /nfs/dbraw/zinc/97/53/08/404975308.db2.gz HIGGRXWFRZHLAX-HOCLYGCPSA-N 1 3 320.433 2.024 20 0 DEADHO CC(C)[C@@H]([NH3+])CNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000417013053 405001053 /nfs/dbraw/zinc/00/10/53/405001053.db2.gz BPDZKEPIHKCMDN-DLBZAZTESA-N 1 3 318.465 2.106 20 0 DEADHO Cc1ccccc1CCCN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436047664 405039674 /nfs/dbraw/zinc/03/96/74/405039674.db2.gz DEGXAYOHTOZFHM-GOSISDBHSA-N 1 3 317.477 2.247 20 0 DEADHO CCC[C@](C)([NH3+])C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000389886323 405041548 /nfs/dbraw/zinc/04/15/48/405041548.db2.gz RUBZENHFGHLFPW-ZVZYQTTQSA-N 1 3 303.450 2.141 20 0 DEADHO C[C@H]1CC[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000436135407 405049772 /nfs/dbraw/zinc/04/97/72/405049772.db2.gz WJNOPJDHSFUYIF-HOCLYGCPSA-N 1 3 322.497 2.033 20 0 DEADHO CCCC[N@H+](C)CC1CCN([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000361384519 405049851 /nfs/dbraw/zinc/04/98/51/405049851.db2.gz DXJDUYKEFWJUHN-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO CCCC[N@@H+](C)CC1CCN([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000361384519 405049853 /nfs/dbraw/zinc/04/98/53/405049853.db2.gz DXJDUYKEFWJUHN-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H](C(=O)NCC(C)(C)C[NH+]1CCCC1)N1[C@H](C)CC[C@@H]1C ZINC000361386818 405050852 /nfs/dbraw/zinc/05/08/52/405050852.db2.gz PDGKXBNDNSTNES-OWCLPIDISA-N 1 3 309.498 2.486 20 0 DEADHO COC(=O)CC1CC([NH2+]Cc2cccc(OCCN(C)C)c2)C1 ZINC000424271389 405054610 /nfs/dbraw/zinc/05/46/10/405054610.db2.gz RUASCHUQJDOQAS-UHFFFAOYSA-N 1 3 320.433 2.058 20 0 DEADHO C[C@@H](CNC(=O)NC[C@@H](N)c1ccccc1)C[NH+]1CCCCC1 ZINC000417195220 405058638 /nfs/dbraw/zinc/05/86/38/405058638.db2.gz QFQFIPADVHIYNR-DOTOQJQBSA-N 1 3 318.465 2.108 20 0 DEADHO COc1ccc(NC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424302521 405063107 /nfs/dbraw/zinc/06/31/07/405063107.db2.gz ZTDIHEZKILPKFC-CQSZACIVSA-N 1 3 317.433 2.098 20 0 DEADHO Cn1nccc1C1CCN(C[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424308198 405064460 /nfs/dbraw/zinc/06/44/60/405064460.db2.gz ZOIVYKLOTLARGH-MRXNPFEDSA-N 1 3 316.424 2.481 20 0 DEADHO Cn1nccc1C1CC[NH+](C[C@@H](CN)c2ccc(F)cc2)CC1 ZINC000424308198 405064466 /nfs/dbraw/zinc/06/44/66/405064466.db2.gz ZOIVYKLOTLARGH-MRXNPFEDSA-N 1 3 316.424 2.481 20 0 DEADHO COCCN1CCC([NH2+]C[C@@H]2CCCN2C2CCCCC2)CC1 ZINC000436291485 405067110 /nfs/dbraw/zinc/06/71/10/405067110.db2.gz AKHTVRMYIGFMMC-IBGZPJMESA-N 1 3 323.525 2.484 20 0 DEADHO CN(C)C[C@H]1CCCCN1C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000404907833 405069944 /nfs/dbraw/zinc/06/99/44/405069944.db2.gz AFRSWAGUFCHOGE-SJORKVTESA-N 1 3 303.450 2.409 20 0 DEADHO CN(C)C1(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000416286628 405085670 /nfs/dbraw/zinc/08/56/70/405085670.db2.gz BCLWHFDQSRWYNY-UHFFFAOYSA-N 1 3 315.461 2.497 20 0 DEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000361560640 405130482 /nfs/dbraw/zinc/13/04/82/405130482.db2.gz AMTNJWBVTDGRLU-OAGGEKHMSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1CCN(C)CCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361508125 405106464 /nfs/dbraw/zinc/10/64/64/405106464.db2.gz IYJDSKHOCWTYHX-CVEARBPZSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1CCN(C)CCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361508125 405106468 /nfs/dbraw/zinc/10/64/68/405106468.db2.gz IYJDSKHOCWTYHX-CVEARBPZSA-N 1 3 307.482 2.194 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418604162 405136260 /nfs/dbraw/zinc/13/62/60/405136260.db2.gz XIBWZLASWLFFOE-IRXDYDNUSA-N 1 3 318.465 2.066 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418635632 405144984 /nfs/dbraw/zinc/14/49/84/405144984.db2.gz HAMDWRBCRYUSKP-MRXNPFEDSA-N 1 3 324.513 2.282 20 0 DEADHO CN(CCN(C)C1CC1)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418654087 405151680 /nfs/dbraw/zinc/15/16/80/405151680.db2.gz BPWNODQPQCBMDR-KRWDZBQOSA-N 1 3 318.465 2.202 20 0 DEADHO CC(C)[NH+]1CCC(N2CCC[C@@H](CC(C)(C)C(N)=O)C2)CC1 ZINC000453297192 405290699 /nfs/dbraw/zinc/29/06/99/405290699.db2.gz ZBNVCVZYIRLMAH-HNNXBMFYSA-N 1 3 309.498 2.473 20 0 DEADHO COC(=O)[C@H](CC[N@@H+]1CC[C@@H](CN(C)C)C1)c1ccccc1 ZINC000425403865 405285778 /nfs/dbraw/zinc/28/57/78/405285778.db2.gz KIYNQPSCDKHQHP-DOTOQJQBSA-N 1 3 304.434 2.217 20 0 DEADHO COC(=O)[C@H](CC[N@H+]1CC[C@@H](CN(C)C)C1)c1ccccc1 ZINC000425403865 405285781 /nfs/dbraw/zinc/28/57/81/405285781.db2.gz KIYNQPSCDKHQHP-DOTOQJQBSA-N 1 3 304.434 2.217 20 0 DEADHO CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2)cc1)C(C)C ZINC000368067097 405225315 /nfs/dbraw/zinc/22/53/15/405225315.db2.gz UOOHLSBLUKDTTH-IRXDYDNUSA-N 1 3 321.440 2.347 20 0 DEADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2)cc1)C(C)C ZINC000368067097 405225317 /nfs/dbraw/zinc/22/53/17/405225317.db2.gz UOOHLSBLUKDTTH-IRXDYDNUSA-N 1 3 321.440 2.347 20 0 DEADHO C[C@@H]1[C@H](C)C[N@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)[C@H]1C ZINC000419328827 405239653 /nfs/dbraw/zinc/23/96/53/405239653.db2.gz AKDRQCLGXLKWKT-XLMAVXFVSA-N 1 3 317.477 2.382 20 0 DEADHO C[C@@H]1[C@H](C)C[N@@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)[C@H]1C ZINC000419328827 405239656 /nfs/dbraw/zinc/23/96/56/405239656.db2.gz AKDRQCLGXLKWKT-XLMAVXFVSA-N 1 3 317.477 2.382 20 0 DEADHO O=C([C@H]1CCCN1C1CCCC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000438557336 405251028 /nfs/dbraw/zinc/25/10/28/405251028.db2.gz KKYZHPLGESMQSP-QZTJIDSGSA-N 1 3 319.493 2.480 20 0 DEADHO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCC[C@@H](N2CCCC2)C1 ZINC000438557336 405251031 /nfs/dbraw/zinc/25/10/31/405251031.db2.gz KKYZHPLGESMQSP-QZTJIDSGSA-N 1 3 319.493 2.480 20 0 DEADHO O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCC[C@@H](N2CCCC2)C1 ZINC000438557336 405251032 /nfs/dbraw/zinc/25/10/32/405251032.db2.gz KKYZHPLGESMQSP-QZTJIDSGSA-N 1 3 319.493 2.480 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000438866438 405256718 /nfs/dbraw/zinc/25/67/18/405256718.db2.gz OWCZJICUAFZHDR-NVXWUHKLSA-N 1 3 322.497 2.033 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000438866438 405256719 /nfs/dbraw/zinc/25/67/19/405256719.db2.gz OWCZJICUAFZHDR-NVXWUHKLSA-N 1 3 322.497 2.033 20 0 DEADHO CC[NH2+]CC1CCN(CCOc2ccccc2C(=O)OC)CC1 ZINC000420297633 405310025 /nfs/dbraw/zinc/31/00/25/405310025.db2.gz YYYDHSCEDDYATL-UHFFFAOYSA-N 1 3 320.433 2.174 20 0 DEADHO C[C@H](C(=O)N1CCc2ccccc2C1)N1CCC[C@@H](CC[NH3+])C1 ZINC000420311559 405314699 /nfs/dbraw/zinc/31/46/99/405314699.db2.gz NOQIHQSCNNMODW-CVEARBPZSA-N 1 3 315.461 2.021 20 0 DEADHO CN(C)C(=O)CCN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420312056 405315184 /nfs/dbraw/zinc/31/51/84/405315184.db2.gz OCIXKSYAUWASIE-OAHLLOKOSA-N 1 3 321.490 2.171 20 0 DEADHO CCOC[C@H]1CCCN(C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420312357 405315754 /nfs/dbraw/zinc/31/57/54/405315754.db2.gz WUDWBGBRVRYCNW-RDJZCZTQSA-N 1 3 306.450 2.486 20 0 DEADHO CCC[N@H+](CCOCC(F)(F)C(F)F)C1CCNCC1 ZINC000420319832 405317960 /nfs/dbraw/zinc/31/79/60/405317960.db2.gz PQHMPOOVKCFZDI-UHFFFAOYSA-N 1 3 300.340 2.367 20 0 DEADHO CCC[N@@H+](CCOCC(F)(F)C(F)F)C1CCNCC1 ZINC000420319832 405317961 /nfs/dbraw/zinc/31/79/61/405317961.db2.gz PQHMPOOVKCFZDI-UHFFFAOYSA-N 1 3 300.340 2.367 20 0 DEADHO CCCN(CCOCC(F)(F)C(F)F)C1CC[NH2+]CC1 ZINC000420319832 405317963 /nfs/dbraw/zinc/31/79/63/405317963.db2.gz PQHMPOOVKCFZDI-UHFFFAOYSA-N 1 3 300.340 2.367 20 0 DEADHO COc1ccc([C@@H](C[NH3+])CN(C[C@H]2CCOC2)C2CC2)cc1 ZINC000420322874 405319370 /nfs/dbraw/zinc/31/93/70/405319370.db2.gz SPDDODBZJVFNJW-ZBFHGGJFSA-N 1 3 304.434 2.238 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420330655 405322251 /nfs/dbraw/zinc/32/22/51/405322251.db2.gz BBGGPOSJGCALLU-VVLHAWIVSA-N 1 3 307.482 2.097 20 0 DEADHO [NH3+]C[C@H]1CN(CCCOc2ccc(F)cc2)CC12CCOCC2 ZINC000420336704 405324509 /nfs/dbraw/zinc/32/45/09/405324509.db2.gz WENVHXPXNPMXBR-HNNXBMFYSA-N 1 3 322.424 2.282 20 0 DEADHO NC[C@H]1C[N@H+](CCCOc2ccc(F)cc2)CC12CCOCC2 ZINC000420336704 405324512 /nfs/dbraw/zinc/32/45/12/405324512.db2.gz WENVHXPXNPMXBR-HNNXBMFYSA-N 1 3 322.424 2.282 20 0 DEADHO NC[C@H]1C[N@@H+](CCCOc2ccc(F)cc2)CC12CCOCC2 ZINC000420336704 405324513 /nfs/dbraw/zinc/32/45/13/405324513.db2.gz WENVHXPXNPMXBR-HNNXBMFYSA-N 1 3 322.424 2.282 20 0 DEADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)NC1CCCCCC1 ZINC000420344962 405327098 /nfs/dbraw/zinc/32/70/98/405327098.db2.gz VHJUAHSVXMWJHX-CVEARBPZSA-N 1 3 307.482 2.147 20 0 DEADHO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420344575 405327400 /nfs/dbraw/zinc/32/74/00/405327400.db2.gz UDLMHHIPXOZRQF-UIBIWLFHSA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@H](c1ccc(Br)cc1)[N@H+](C)C[C@H](O)CN ZINC000420352759 405329442 /nfs/dbraw/zinc/32/94/42/405329442.db2.gz MRYDGGKMMTUKNZ-CHWSQXEVSA-N 1 3 301.228 2.152 20 0 DEADHO CC[C@H](c1ccc(Br)cc1)[N@@H+](C)C[C@H](O)CN ZINC000420352759 405329443 /nfs/dbraw/zinc/32/94/43/405329443.db2.gz MRYDGGKMMTUKNZ-CHWSQXEVSA-N 1 3 301.228 2.152 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)[NH+]1CCCCC1 ZINC000440924796 405330876 /nfs/dbraw/zinc/33/08/76/405330876.db2.gz JZPKFPXVVIFEIT-ZMSDIMECSA-N 1 3 307.482 2.238 20 0 DEADHO [NH3+]C[C@H](NCCCS(=O)(=O)c1ccccc1)C1CCCCC1 ZINC000420377017 405337648 /nfs/dbraw/zinc/33/76/48/405337648.db2.gz VWOWMRPQRPVNGG-KRWDZBQOSA-N 1 3 324.490 2.348 20 0 DEADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000426320855 405351093 /nfs/dbraw/zinc/35/10/93/405351093.db2.gz AEEGNVLREQIYEU-KEYYUXOJSA-N 1 3 313.445 2.357 20 0 DEADHO CC(C)[NH+](CCCNC(=O)NCC1(N(C)C)CCC1)C(C)C ZINC000445866210 405359194 /nfs/dbraw/zinc/35/91/94/405359194.db2.gz LFJCPWJUFJWJPO-UHFFFAOYSA-N 1 3 312.502 2.279 20 0 DEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C[C@@H]1CCCN1C ZINC000420804637 405387788 /nfs/dbraw/zinc/38/77/88/405387788.db2.gz NRELNPSOBRFVGQ-TWMKSMIVSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C[C@@H]1CCCN1C ZINC000420804637 405387789 /nfs/dbraw/zinc/38/77/89/405387789.db2.gz NRELNPSOBRFVGQ-TWMKSMIVSA-N 1 3 324.513 2.088 20 0 DEADHO CC[N@@H+]1CC[C@H](NCCOCC(F)(F)C(F)F)[C@H](C)C1 ZINC000446974519 405397464 /nfs/dbraw/zinc/39/74/64/405397464.db2.gz JENVKGCOEAQMLX-MNOVXSKESA-N 1 3 300.340 2.223 20 0 DEADHO CC[N@H+]1CC[C@H](NCCOCC(F)(F)C(F)F)[C@H](C)C1 ZINC000446974519 405397466 /nfs/dbraw/zinc/39/74/66/405397466.db2.gz JENVKGCOEAQMLX-MNOVXSKESA-N 1 3 300.340 2.223 20 0 DEADHO CCN1CCC(NC(=O)NCCCCC[NH+]2CCCC2)CC1 ZINC000454608179 405370599 /nfs/dbraw/zinc/37/05/99/405370599.db2.gz FCRBJJLRRASPEZ-UHFFFAOYSA-N 1 3 310.486 2.036 20 0 DEADHO C[C@@H](CNC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)N(C)C ZINC000454614278 405372580 /nfs/dbraw/zinc/37/25/80/405372580.db2.gz UMEDNJQORCVLDB-HOTGVXAUSA-N 1 3 320.481 2.146 20 0 DEADHO C[C@@H](CNC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)N(C)C ZINC000454614278 405372582 /nfs/dbraw/zinc/37/25/82/405372582.db2.gz UMEDNJQORCVLDB-HOTGVXAUSA-N 1 3 320.481 2.146 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCCN(CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000430559990 405457512 /nfs/dbraw/zinc/45/75/12/405457512.db2.gz VCDFBHZUQBHSIR-RYUDHWBXSA-N 1 3 311.376 2.353 20 0 DEADHO COc1cccc(NC(=O)CCN(C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000430580378 405461143 /nfs/dbraw/zinc/46/11/43/405461143.db2.gz DTERPMGEEWMCDT-MRXNPFEDSA-N 1 3 307.438 2.329 20 0 DEADHO CC[NH2+]CC1CCN([C@H](C)C(=O)NCCc2ccccc2)CC1 ZINC000430581627 405461171 /nfs/dbraw/zinc/46/11/71/405461171.db2.gz HGWBAECLTZVOJH-MRXNPFEDSA-N 1 3 317.477 2.055 20 0 DEADHO C[C@@H]([NH3+])[C@H]1CCCN(CCC(=O)N2CCc3sccc3C2)C1 ZINC000430594983 405463802 /nfs/dbraw/zinc/46/38/02/405463802.db2.gz WTAREPNJHZAXMI-KGLIPLIRSA-N 1 3 321.490 2.082 20 0 DEADHO C[N@H+](CCCc1nc(-c2ccccc2)no1)C1CCNCC1 ZINC000430609892 405466048 /nfs/dbraw/zinc/46/60/48/405466048.db2.gz IYIBBFMQMCTGKJ-UHFFFAOYSA-N 1 3 300.406 2.353 20 0 DEADHO C[N@@H+](CCCc1nc(-c2ccccc2)no1)C1CCNCC1 ZINC000430609892 405466052 /nfs/dbraw/zinc/46/60/52/405466052.db2.gz IYIBBFMQMCTGKJ-UHFFFAOYSA-N 1 3 300.406 2.353 20 0 DEADHO CC(C)N(Cc1ccccc1)C(=O)CN1CCC(C[NH3+])CC1 ZINC000430611106 405466436 /nfs/dbraw/zinc/46/64/36/405466436.db2.gz NDBXMQJLFLLELF-UHFFFAOYSA-N 1 3 303.450 2.094 20 0 DEADHO Cc1ccc(CN(C(=O)CN2CCC(C[NH3+])CC2)C2CC2)cc1 ZINC000430620423 405468723 /nfs/dbraw/zinc/46/87/23/405468723.db2.gz HSSQPMVAPMJXPJ-UHFFFAOYSA-N 1 3 315.461 2.157 20 0 DEADHO C[C@@H](NC(=O)[C@@H](C)N1CCC(C[NH3+])CC1)c1ccc(F)cc1 ZINC000430640110 405477225 /nfs/dbraw/zinc/47/72/25/405477225.db2.gz JSMJFTMEVZCTHY-CHWSQXEVSA-N 1 3 307.413 2.062 20 0 DEADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(C)nc3)CC2)CC1 ZINC000421376418 405479734 /nfs/dbraw/zinc/47/97/34/405479734.db2.gz QGBNWSFVORKIKH-UHFFFAOYSA-N 1 3 316.493 2.382 20 0 DEADHO CN1CCC([NH+]2CCC(NCc3cccc(F)c3N)CC2)CC1 ZINC000638458078 405482395 /nfs/dbraw/zinc/48/23/95/405482395.db2.gz AIAMFUMEOLOBQW-UHFFFAOYSA-N 1 3 320.456 2.056 20 0 DEADHO C[C@@H](CC[NH2+]C[C@@H](O)COc1ccccc1F)N1CCCCC1 ZINC000577723415 405499739 /nfs/dbraw/zinc/49/97/39/405499739.db2.gz XIWAKNUCVGIKDC-JKSUJKDBSA-N 1 3 324.440 2.420 20 0 DEADHO Cc1ccccc1CNC(=O)[C@H](C)N1CCC2(CC[NH2+]C2)CC1 ZINC000431044598 405567059 /nfs/dbraw/zinc/56/70/59/405567059.db2.gz XDCGUIQCFBAYKS-INIZCTEOSA-N 1 3 315.461 2.075 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000449367271 405527991 /nfs/dbraw/zinc/52/79/91/405527991.db2.gz UXMZDHCDCVCHDY-HLPPOEQASA-N 1 3 321.490 2.103 20 0 DEADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCCc2cccc(CN)c21 ZINC000638543981 405539653 /nfs/dbraw/zinc/53/96/53/405539653.db2.gz RHRJRQWHNMGITH-HNNXBMFYSA-N 1 3 303.450 2.449 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C2(C[NH3+])CCCC2)C1 ZINC000431062397 405570312 /nfs/dbraw/zinc/57/03/12/405570312.db2.gz PUWYMMLJJBZLCM-RDJZCZTQSA-N 1 3 315.461 2.457 20 0 DEADHO CCCN(CCC(=O)N1CCc2ccccc21)C1CC[NH2+]CC1 ZINC000431067926 405572349 /nfs/dbraw/zinc/57/23/49/405572349.db2.gz AFHFYSYVDGTWNE-UHFFFAOYSA-N 1 3 315.461 2.430 20 0 DEADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000449520123 405594512 /nfs/dbraw/zinc/59/45/12/405594512.db2.gz OGKVYZWNJIBILL-AWEZNQCLSA-N 1 3 307.413 2.434 20 0 DEADHO [NH3+][C@H]1CCCC[C@@H]1CC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000449520787 405594897 /nfs/dbraw/zinc/59/48/97/405594897.db2.gz QEQISTWJXHJKGA-RISCZKNCSA-N 1 3 305.397 2.318 20 0 DEADHO COC1([C@H](C)[NH2+]CCCN2CCCN(C)CC2)CCCCC1 ZINC000421825580 405652607 /nfs/dbraw/zinc/65/26/07/405652607.db2.gz OGQTZZNUVKWNGV-KRWDZBQOSA-N 1 3 311.514 2.341 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H]2CCCN2C2CC2)C1 ZINC000494263911 405670075 /nfs/dbraw/zinc/67/00/75/405670075.db2.gz BRCKOCIDHTXLAI-NUJGCVRESA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)CCCC[NH+](C)C ZINC000558575080 405672936 /nfs/dbraw/zinc/67/29/36/405672936.db2.gz SKKFXVFUUXTYRJ-MRXNPFEDSA-N 1 3 305.466 2.355 20 0 DEADHO C[C@@H]1C[C@@H](C)N(CCc2nc3ccccc3n2C)C[C@@H]1C[NH3+] ZINC000422625246 405673925 /nfs/dbraw/zinc/67/39/25/405673925.db2.gz BAWIDDMCIKUGKN-KFWWJZLASA-N 1 3 300.450 2.421 20 0 DEADHO C[C@@H]1C[C@@H](C)[N@H+](CCc2nc3ccccc3n2C)C[C@@H]1CN ZINC000422625246 405673933 /nfs/dbraw/zinc/67/39/33/405673933.db2.gz BAWIDDMCIKUGKN-KFWWJZLASA-N 1 3 300.450 2.421 20 0 DEADHO C[C@@H]1C[C@@H](C)[N@@H+](CCc2nc3ccccc3n2C)C[C@@H]1CN ZINC000422625246 405673940 /nfs/dbraw/zinc/67/39/40/405673940.db2.gz BAWIDDMCIKUGKN-KFWWJZLASA-N 1 3 300.450 2.421 20 0 DEADHO CC/C=C/CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000458976515 405674036 /nfs/dbraw/zinc/67/40/36/405674036.db2.gz OSPBHECARZJAGM-WAVCKPEOSA-N 1 3 310.486 2.010 20 0 DEADHO CC/C=C/CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000458976515 405674042 /nfs/dbraw/zinc/67/40/42/405674042.db2.gz OSPBHECARZJAGM-WAVCKPEOSA-N 1 3 310.486 2.010 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H]2CCCN2C2CC2)C1 ZINC000494310423 405675046 /nfs/dbraw/zinc/67/50/46/405675046.db2.gz KXBRGMUHGDRERP-BFYDXBDKSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@H]1SCCc2ccccc21 ZINC000422842095 405687017 /nfs/dbraw/zinc/68/70/17/405687017.db2.gz XOSOAQXWYNHIQP-OSMBCOQSSA-N 1 3 306.475 2.359 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1SCCc2ccccc21 ZINC000422842095 405687023 /nfs/dbraw/zinc/68/70/23/405687023.db2.gz XOSOAQXWYNHIQP-OSMBCOQSSA-N 1 3 306.475 2.359 20 0 DEADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCCCC1)[C@H]1CCCCN1 ZINC000422765168 405680376 /nfs/dbraw/zinc/68/03/76/405680376.db2.gz QICFUZPMOUEGOE-DLBZAZTESA-N 1 3 309.498 2.142 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CCCC[NH+](C)C ZINC000558651271 405681125 /nfs/dbraw/zinc/68/11/25/405681125.db2.gz ZRARPEFHPSOHRP-AEFFLSMTSA-N 1 3 317.477 2.355 20 0 DEADHO C[C@@H]([NH3+])c1ccc(C(=O)N2CCOc3ccc(CN)cc32)cc1 ZINC000638807622 405681199 /nfs/dbraw/zinc/68/11/99/405681199.db2.gz NWMYVUBWIZUWTE-GFCCVEGCSA-N 1 3 311.385 2.204 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000528689279 405710345 /nfs/dbraw/zinc/71/03/45/405710345.db2.gz PDIXRARGVQVFOU-MRXNPFEDSA-N 1 3 316.449 2.197 20 0 DEADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000449724284 405711307 /nfs/dbraw/zinc/71/13/07/405711307.db2.gz MVZPVAAHEGNMKZ-SJLPKXTDSA-N 1 3 315.461 2.142 20 0 DEADHO [NH3+][C@H]1C[C@@H](N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c2ccccc21 ZINC000423154088 405705622 /nfs/dbraw/zinc/70/56/22/405705622.db2.gz HBZMFRGIOQMLMY-BDEJMISXSA-N 1 3 321.424 2.412 20 0 DEADHO C[C@H](CC(=O)N(C)c1ccccc1)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423207511 405723445 /nfs/dbraw/zinc/72/34/45/405723445.db2.gz CVCGKTZWMYHPOF-BZUAXINKSA-N 1 3 303.450 2.406 20 0 DEADHO CC[C@H]([NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NC ZINC000449774109 405717466 /nfs/dbraw/zinc/71/74/66/405717466.db2.gz LDXNXDBKNGDEME-OIISXLGYSA-N 1 3 303.450 2.011 20 0 DEADHO C[C@@H]1CN(CCC[NH2+]Cc2ccc([S@](C)=O)cc2)CCCO1 ZINC000432359289 405754454 /nfs/dbraw/zinc/75/44/54/405754454.db2.gz RZBCUXOOPIFAKK-QRQCRPRQSA-N 1 3 324.490 2.015 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000423367196 405779439 /nfs/dbraw/zinc/77/94/39/405779439.db2.gz QYKNFUZSONRVEN-XYPHTWIQSA-N 1 3 301.434 2.066 20 0 DEADHO COCCN1CC[C@@H](N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000423408457 405793627 /nfs/dbraw/zinc/79/36/27/405793627.db2.gz XNDBGODEOJPFQK-MOPGFXCFSA-N 1 3 313.445 2.150 20 0 DEADHO COCCN1CC[C@@H]([NH2+][C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000423408457 405793636 /nfs/dbraw/zinc/79/36/36/405793636.db2.gz XNDBGODEOJPFQK-MOPGFXCFSA-N 1 3 313.445 2.150 20 0 DEADHO C[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1)CN1CCCCC1 ZINC000583989223 405801170 /nfs/dbraw/zinc/80/11/70/405801170.db2.gz LWXVYKIXDSGKHK-DLBZAZTESA-N 1 3 306.450 2.138 20 0 DEADHO C[C@@H]1CCN[C@@H](C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000423443641 405808111 /nfs/dbraw/zinc/80/81/11/405808111.db2.gz QNQOISYXCRLHQR-RHSMWYFYSA-N 1 3 307.482 2.288 20 0 DEADHO CC(C)N1CC[C@H](C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)C1 ZINC000560405015 405809407 /nfs/dbraw/zinc/80/94/07/405809407.db2.gz NMPTYBMGXBOOHZ-OAHLLOKOSA-N 1 3 319.449 2.204 20 0 DEADHO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000639003708 405814827 /nfs/dbraw/zinc/81/48/27/405814827.db2.gz BXDFCQSVKYFGJG-BHYGNILZSA-N 1 3 303.450 2.059 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CCC[C@@H]([NH3+])C3)C2)cc1 ZINC000639006100 405818720 /nfs/dbraw/zinc/81/87/20/405818720.db2.gz SFOAPUHIAUIRDR-KSZLIROESA-N 1 3 315.461 2.203 20 0 DEADHO CN(CC(=O)NCC1CC[NH+](CC2CC2)CC1)CC(C)(C)C ZINC000636230607 405826778 /nfs/dbraw/zinc/82/67/78/405826778.db2.gz HDNNFZMXHICUSW-UHFFFAOYSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H]2NCCCC2(C)C)C1 ZINC000423345830 405768935 /nfs/dbraw/zinc/76/89/35/405768935.db2.gz ZFEPYLZYPWRXFF-OWCLPIDISA-N 1 3 309.498 2.249 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@H]2NCCCC2(C)C)C1 ZINC000423345830 405768942 /nfs/dbraw/zinc/76/89/42/405768942.db2.gz ZFEPYLZYPWRXFF-OWCLPIDISA-N 1 3 309.498 2.249 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H](N)c1ccccc1 ZINC000423348430 405770736 /nfs/dbraw/zinc/77/07/36/405770736.db2.gz TVJSPCOTPBKWLB-ZACQAIPSSA-N 1 3 315.461 2.456 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H](N)c1ccccc1 ZINC000423348430 405770744 /nfs/dbraw/zinc/77/07/44/405770744.db2.gz TVJSPCOTPBKWLB-ZACQAIPSSA-N 1 3 315.461 2.456 20 0 DEADHO N[C@@H](CC1CCCCC1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000423351020 405772186 /nfs/dbraw/zinc/77/21/86/405772186.db2.gz YJTCYPXDGBPMKG-KRWDZBQOSA-N 1 3 307.482 2.275 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCC[N@H+](C)C1CC1 ZINC000459154764 405774058 /nfs/dbraw/zinc/77/40/58/405774058.db2.gz KJTWYFDMWLFIRA-SJORKVTESA-N 1 3 322.497 2.129 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000459154764 405774065 /nfs/dbraw/zinc/77/40/65/405774065.db2.gz KJTWYFDMWLFIRA-SJORKVTESA-N 1 3 322.497 2.129 20 0 DEADHO Cc1ccccc1CN1CCC(NC(=O)[C@@H](C[NH3+])C(C)C)CC1 ZINC000433134813 405876987 /nfs/dbraw/zinc/87/69/87/405876987.db2.gz MDFBSKRWYBAJRT-SFHVURJKSA-N 1 3 317.477 2.307 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H](C[NH3+])C(C)C)c1ccsc1 ZINC000433157719 405882354 /nfs/dbraw/zinc/88/23/54/405882354.db2.gz NPUVHMGXVNIPTH-LSDHHAIUSA-N 1 3 311.495 2.478 20 0 DEADHO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1oc2ccccc2c1CN(C)C ZINC000423637744 405887654 /nfs/dbraw/zinc/88/76/54/405887654.db2.gz CXWJXDNGXJKTRI-RISCZKNCSA-N 1 3 301.390 2.056 20 0 DEADHO CC1CC[NH+](C[C@H]2CCCN(C[C@H]3CCNC(=O)CC3)C2)CC1 ZINC000450323886 405835307 /nfs/dbraw/zinc/83/53/07/405835307.db2.gz LBGFRTPIYRRBPV-QZTJIDSGSA-N 1 3 321.509 2.347 20 0 DEADHO CC1CCN(C[C@H]2CCC[N@H+](C[C@H]3CCNC(=O)CC3)C2)CC1 ZINC000450323886 405835312 /nfs/dbraw/zinc/83/53/12/405835312.db2.gz LBGFRTPIYRRBPV-QZTJIDSGSA-N 1 3 321.509 2.347 20 0 DEADHO CC1CCN(C[C@H]2CCC[N@@H+](C[C@H]3CCNC(=O)CC3)C2)CC1 ZINC000450323886 405835317 /nfs/dbraw/zinc/83/53/17/405835317.db2.gz LBGFRTPIYRRBPV-QZTJIDSGSA-N 1 3 321.509 2.347 20 0 DEADHO [NH3+]C[C@@H]1CCN(C(=O)c2ccc3c(c2)CNC3)c2ccccc21 ZINC000639067640 405857918 /nfs/dbraw/zinc/85/79/18/405857918.db2.gz KCYGJDORWSJNTO-AWEZNQCLSA-N 1 3 307.397 2.383 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000433367663 405936631 /nfs/dbraw/zinc/93/66/31/405936631.db2.gz VIPKTMFCTVQORA-HOTGVXAUSA-N 1 3 303.450 2.351 20 0 DEADHO CC(C)(O)C[NH+]1CCC(NCC2(c3ccccn3)CCC2)CC1 ZINC000639164588 405938373 /nfs/dbraw/zinc/93/83/73/405938373.db2.gz UOMPLIXQLHRQHB-UHFFFAOYSA-N 1 3 317.477 2.328 20 0 DEADHO CN1CCN(CC2CC[NH+](CC3CCSCC3)CC2)CC1 ZINC000639169796 405941076 /nfs/dbraw/zinc/94/10/76/405941076.db2.gz KDLBUWVOOHRAPV-UHFFFAOYSA-N 1 3 311.539 2.089 20 0 DEADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CC1(C[NH3+])CC1 ZINC000423744886 405941054 /nfs/dbraw/zinc/94/10/54/405941054.db2.gz LRNJFTPTLFCAQT-UHFFFAOYSA-N 1 3 323.868 2.359 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000423747159 405942461 /nfs/dbraw/zinc/94/24/61/405942461.db2.gz SCTGGQHYIQOQNK-SFHVURJKSA-N 1 3 303.450 2.096 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000423747128 405943244 /nfs/dbraw/zinc/94/32/44/405943244.db2.gz RXRHODHZTWSWOC-QZTJIDSGSA-N 1 3 317.477 2.472 20 0 DEADHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000423771863 405954906 /nfs/dbraw/zinc/95/49/06/405954906.db2.gz KASAXSFUGHOJAB-DDBAPUKQSA-N 1 3 315.461 2.408 20 0 DEADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000423771863 405954910 /nfs/dbraw/zinc/95/49/10/405954910.db2.gz KASAXSFUGHOJAB-DDBAPUKQSA-N 1 3 315.461 2.408 20 0 DEADHO CN(C)C[C@H](NC(=O)[C@H]1C[C@@]12CC[NH2+]C2)c1ccc(Cl)cc1 ZINC000423773047 405957243 /nfs/dbraw/zinc/95/72/43/405957243.db2.gz MAAKUUKFUIOZFP-HLLBOEOZSA-N 1 3 321.852 2.059 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000433228348 405903700 /nfs/dbraw/zinc/90/37/00/405903700.db2.gz OVHPIRDIYKJCOP-IAGOWNOFSA-N 1 3 301.434 2.105 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000433228348 405903704 /nfs/dbraw/zinc/90/37/04/405903704.db2.gz OVHPIRDIYKJCOP-IAGOWNOFSA-N 1 3 301.434 2.105 20 0 DEADHO CCC[N@H+](CC)CCNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000531083598 405907000 /nfs/dbraw/zinc/90/70/00/405907000.db2.gz ZTOPGGXLLGLYNY-UHFFFAOYSA-N 1 3 312.502 2.234 20 0 DEADHO CCC[N@@H+](CC)CCNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000531083598 405907010 /nfs/dbraw/zinc/90/70/10/405907010.db2.gz ZTOPGGXLLGLYNY-UHFFFAOYSA-N 1 3 312.502 2.234 20 0 DEADHO CCN1CCN(CCC[NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000459475139 405920411 /nfs/dbraw/zinc/92/04/11/405920411.db2.gz ZGRHGBLNZOFNRC-UHFFFAOYSA-N 1 3 309.885 2.500 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000516554973 406097816 /nfs/dbraw/zinc/09/78/16/406097816.db2.gz GYUMDMSYLTTXNE-HUUCEWRRSA-N 1 3 310.486 2.020 20 0 DEADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc2c(c1)COC2 ZINC000532195224 406055373 /nfs/dbraw/zinc/05/53/73/406055373.db2.gz QJFWSCNZJOCPMI-MRXNPFEDSA-N 1 3 317.477 2.395 20 0 DEADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000567675017 406116396 /nfs/dbraw/zinc/11/63/96/406116396.db2.gz WNGIENOFRRJPAD-PVAVHDDUSA-N 1 3 303.450 2.265 20 0 DEADHO C[C@@H](CC(=O)Nc1ccc(F)cc1)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000517198149 406123388 /nfs/dbraw/zinc/12/33/88/406123388.db2.gz QBWFVSBHPCBANI-KGLIPLIRSA-N 1 3 307.413 2.474 20 0 DEADHO C[C@@H](CC(=O)Nc1ccc(F)cc1)NCC[N@H+]1CC[C@@H](C)C1 ZINC000517198149 406123391 /nfs/dbraw/zinc/12/33/91/406123391.db2.gz QBWFVSBHPCBANI-KGLIPLIRSA-N 1 3 307.413 2.474 20 0 DEADHO CSC1(CN2CCN(C3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000347870085 286650201 /nfs/dbraw/zinc/65/02/01/286650201.db2.gz FYDOVWWLBNOCEO-UHFFFAOYSA-N 1 3 311.539 2.372 20 0 DEADHO CC(C)[C@H]1CC[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000533576826 406154798 /nfs/dbraw/zinc/15/47/98/406154798.db2.gz WFFUYISOKOWODP-QAQDUYKDSA-N 1 3 311.514 2.401 20 0 DEADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H]3CCCC[C@@H]3O)CC2)C[C@H](C)O1 ZINC000568946020 292378059 /nfs/dbraw/zinc/37/80/59/292378059.db2.gz ZQGUXDVTRXGBLY-NBMJBFSESA-N 1 3 324.509 2.359 20 0 DEADHO C[NH+]1CCC2(CCN([C@H]3CCN(c4ccccc4)C3=O)C2)CC1 ZINC000639758046 406238644 /nfs/dbraw/zinc/23/86/44/406238644.db2.gz OVYAMFXZDDWVBK-KRWDZBQOSA-N 1 3 313.445 2.210 20 0 DEADHO COCC[C@H](c1ccccc1)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762139 406239046 /nfs/dbraw/zinc/23/90/46/406239046.db2.gz GRJIJCLZQODAGD-MSOLQXFVSA-N 1 3 306.450 2.153 20 0 DEADHO C[C@@H]1CCC[C@H](NC(=O)CN2CCC3(C2)CC[NH+](C)CC3)[C@@H]1C ZINC000639762516 406241102 /nfs/dbraw/zinc/24/11/02/406241102.db2.gz LVMOYQWAAVDVDD-ZACQAIPSSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H](NC(=O)N[C@@H](C)C[C@H](C)[NH3+])[C@H](c1ccccc1)N(C)C ZINC000568999248 292383122 /nfs/dbraw/zinc/38/31/22/292383122.db2.gz VTUXFACGGFLEDQ-TTZDDIAXSA-N 1 3 306.454 2.103 20 0 DEADHO CC1(C)CNCC[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000634732922 406252689 /nfs/dbraw/zinc/25/26/89/406252689.db2.gz RVRFNHFPCDNCPT-ZDUSSCGKSA-N 1 3 307.404 2.381 20 0 DEADHO CC1(C)C[NH2+]CC[C@@H](NC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000634763705 406271106 /nfs/dbraw/zinc/27/11/06/406271106.db2.gz BHKVLUOMBZWADE-ZBFHGGJFSA-N 1 3 301.434 2.115 20 0 DEADHO COc1ccccc1N1CC[C@H](C[NH2+][C@H]2CCC[C@H](N)C2)C1 ZINC000569624283 406281082 /nfs/dbraw/zinc/28/10/82/406281082.db2.gz WHNMMBGUYILGJF-PMPSAXMXSA-N 1 3 303.450 2.381 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(CC3CC3)CC2)C[C@H](C)O1 ZINC000537058392 406282713 /nfs/dbraw/zinc/28/27/13/406282713.db2.gz ZVWTUYFTXRYEKJ-CALCHBBNSA-N 1 3 323.525 2.340 20 0 DEADHO CN(C)C[C@@H]1COC2(CCCC2)CN1CC[C@H]1CCC[N@@H+]1C ZINC000639877189 406294794 /nfs/dbraw/zinc/29/47/94/406294794.db2.gz JDGNOYQLUWEKGO-IAGOWNOFSA-N 1 3 309.498 2.046 20 0 DEADHO CN(C)C[C@@H]1COC2(CCCC2)CN1CC[C@H]1CCC[N@H+]1C ZINC000639877189 406294797 /nfs/dbraw/zinc/29/47/97/406294797.db2.gz JDGNOYQLUWEKGO-IAGOWNOFSA-N 1 3 309.498 2.046 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC[C@H](O)C[N@H+](C)C1CC1)N(C)C ZINC000570038164 406336094 /nfs/dbraw/zinc/33/60/94/406336094.db2.gz XBXYSLCSWPMAGO-AYBZRNKSSA-N 1 3 319.493 2.031 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC[C@H](O)C[N@@H+](C)C1CC1)N(C)C ZINC000570038164 406336097 /nfs/dbraw/zinc/33/60/97/406336097.db2.gz XBXYSLCSWPMAGO-AYBZRNKSSA-N 1 3 319.493 2.031 20 0 DEADHO CC[C@](C)([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccc(F)cc1 ZINC000634998453 406392224 /nfs/dbraw/zinc/39/22/24/406392224.db2.gz FXOIWHQPPPWOSM-KSSFIOAISA-N 1 3 321.440 2.238 20 0 DEADHO [NH3+]Cc1cn([C@H]2CCN(Cc3ccc(-c4ccccc4)o3)C2)nn1 ZINC000635000039 406394015 /nfs/dbraw/zinc/39/40/15/406394015.db2.gz FRNZGAGRUGFVFB-INIZCTEOSA-N 1 3 323.400 2.444 20 0 DEADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000570681406 406425328 /nfs/dbraw/zinc/42/53/28/406425328.db2.gz UFFAAVGHNKUOSJ-CABCVRRESA-N 1 3 310.486 2.020 20 0 DEADHO C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)N1CCCC[C@@H]1C ZINC000635288962 406486489 /nfs/dbraw/zinc/48/64/89/406486489.db2.gz OQDXFDHTJQLSMQ-HOTGVXAUSA-N 1 3 307.482 2.242 20 0 DEADHO CO[C@@]1(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCOC1 ZINC000638021332 406527754 /nfs/dbraw/zinc/52/77/54/406527754.db2.gz CMVYXVYZOXARDY-ZWKOTPCHSA-N 1 3 310.482 2.380 20 0 DEADHO C[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C1=CCN(C)CC1 ZINC000548720294 406545344 /nfs/dbraw/zinc/54/53/44/406545344.db2.gz DWNRPNJWJPVUBC-HNNXBMFYSA-N 1 3 307.482 2.408 20 0 DEADHO C[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C1=CCN(C)CC1 ZINC000548720294 406545349 /nfs/dbraw/zinc/54/53/49/406545349.db2.gz DWNRPNJWJPVUBC-HNNXBMFYSA-N 1 3 307.482 2.408 20 0 DEADHO CC[NH+](CC)Cc1cccc(NC(=O)[C@]2(C)C[C@H](OC)CN2)c1 ZINC000638065851 406553352 /nfs/dbraw/zinc/55/33/52/406553352.db2.gz BUSYMWRJSIZAEY-WMZOPIPTSA-N 1 3 319.449 2.234 20 0 DEADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC000635412211 406525375 /nfs/dbraw/zinc/52/53/75/406525375.db2.gz IPFSRJXWUKSPIK-CVEARBPZSA-N 1 3 307.482 2.099 20 0 DEADHO CC[C@@](C)(C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1)OC ZINC000638151497 406596091 /nfs/dbraw/zinc/59/60/91/406596091.db2.gz DMZNYTALKFQDFW-SFHVURJKSA-N 1 3 311.514 2.292 20 0 DEADHO O=C([C@H]1CCN1C1CCCC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000635612539 406623699 /nfs/dbraw/zinc/62/36/99/406623699.db2.gz IPGFSNCIEFOOQC-FUHWJXTLSA-N 1 3 319.493 2.338 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000641089698 406624493 /nfs/dbraw/zinc/62/44/93/406624493.db2.gz BWOKZGINZLPWKD-QGZVFWFLSA-N 1 3 324.513 2.426 20 0 DEADHO CC[NH2+][C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000638119399 406578936 /nfs/dbraw/zinc/57/89/36/406578936.db2.gz QLLNZQNTVFCXMR-INMHGKMJSA-N 1 3 303.450 2.011 20 0 DEADHO CCN[C@H](C)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000638136159 406589233 /nfs/dbraw/zinc/58/92/33/406589233.db2.gz YAPVBVXCRMMWPH-LSDHHAIUSA-N 1 3 319.449 2.344 20 0 DEADHO CCN[C@H](C)C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000638136159 406589236 /nfs/dbraw/zinc/58/92/36/406589236.db2.gz YAPVBVXCRMMWPH-LSDHHAIUSA-N 1 3 319.449 2.344 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)CC(C)(C)C ZINC000638252859 406650595 /nfs/dbraw/zinc/65/05/95/406650595.db2.gz WPDOZUJYHIQRRS-JKSUJKDBSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)N1CCN(C2CC[NH+](CCC[C@@H]3CCOC3)CC2)CC1 ZINC000645842545 406662207 /nfs/dbraw/zinc/66/22/07/406662207.db2.gz ZFIITXYJYMDGPW-GOSISDBHSA-N 1 3 323.525 2.294 20 0 DEADHO CC[NH2+][C@@H](C)C(=O)N(CCCc1ccccc1)CCN(C)C ZINC000638276809 406665903 /nfs/dbraw/zinc/66/59/03/406665903.db2.gz QGLVNFJDRUSYIS-INIZCTEOSA-N 1 3 305.466 2.007 20 0 DEADHO CN1CCN(CC2(C)CC[NH+](CCC[C@H]3CCOC3)CC2)CC1 ZINC000645857166 406668411 /nfs/dbraw/zinc/66/84/11/406668411.db2.gz QUTLUENYPJJPHT-SFHVURJKSA-N 1 3 323.525 2.153 20 0 DEADHO CCN(CC)[C@H](CNC(=O)/C=C\C[NH+](C)C)c1ccccc1 ZINC000491685046 406669585 /nfs/dbraw/zinc/66/95/85/406669585.db2.gz JJWJJJQZCWHVDG-OJNOIJSXSA-N 1 3 303.450 2.304 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000527826361 406764097 /nfs/dbraw/zinc/76/40/97/406764097.db2.gz HQDQMIANTJUUMB-OIISXLGYSA-N 1 3 322.497 2.175 20 0 DEADHO C[NH+]1CCC([C@@H]2CCN(C(=O)[C@@H]3CCN3C3CCCC3)C2)CC1 ZINC000635735951 406716560 /nfs/dbraw/zinc/71/65/60/406716560.db2.gz MTHCUQPOMXOFKE-AEFFLSMTSA-N 1 3 319.493 2.194 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CCCC[C@H]2C2CCC2)CC1 ZINC000646137485 406794153 /nfs/dbraw/zinc/79/41/53/406794153.db2.gz IJHHGUCKBDHJHE-KRWDZBQOSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C)[C@]1(CNC(=O)CC[C@H]([NH3+])c2ccccc2)CCSC1 ZINC000646151441 406801448 /nfs/dbraw/zinc/80/14/48/406801448.db2.gz QIPJWTLPNBETFT-RDJZCZTQSA-N 1 3 321.490 2.020 20 0 DEADHO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCC(C[NH+](C)C)CC1 ZINC000354389065 286762427 /nfs/dbraw/zinc/76/24/27/286762427.db2.gz OVBHWXJWESQKGN-OAGGEKHMSA-N 1 3 309.498 2.153 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646380781 406853977 /nfs/dbraw/zinc/85/39/77/406853977.db2.gz BPHPFZGXWONOTI-BRWVUGGUSA-N 1 3 307.482 2.099 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646380783 406854140 /nfs/dbraw/zinc/85/41/40/406854140.db2.gz BPHPFZGXWONOTI-IXDOHACOSA-N 1 3 307.482 2.099 20 0 DEADHO C[NH2+]C[C@H](C)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000646408653 406859100 /nfs/dbraw/zinc/85/91/00/406859100.db2.gz AIZAWLGWOKMWPQ-DOTOQJQBSA-N 1 3 303.450 2.185 20 0 DEADHO COc1ccccc1[C@H](N)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000646603548 406885421 /nfs/dbraw/zinc/88/54/21/406885421.db2.gz OKYLWSZHEJEISI-GOEBONIOSA-N 1 3 319.449 2.076 20 0 DEADHO CC[NH+]1CCC(N2CCCN(Cc3cc(C)ccn3)CC2)CC1 ZINC000643255233 406969245 /nfs/dbraw/zinc/96/92/45/406969245.db2.gz UZELPIHECMWZSI-UHFFFAOYSA-N 1 3 316.493 2.382 20 0 DEADHO C[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000643294728 406975942 /nfs/dbraw/zinc/97/59/42/406975942.db2.gz MVGJKSQABBRSOX-RDJZCZTQSA-N 1 3 306.450 2.077 20 0 DEADHO C[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000643294728 406975945 /nfs/dbraw/zinc/97/59/45/406975945.db2.gz MVGJKSQABBRSOX-RDJZCZTQSA-N 1 3 306.450 2.077 20 0 DEADHO CN1C[C@H]2CCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)[C@@H]2C1 ZINC000646918452 406925620 /nfs/dbraw/zinc/92/56/20/406925620.db2.gz VVIITQZXHLMHBL-QZTJIDSGSA-N 1 3 313.445 2.059 20 0 DEADHO CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2)cc1 ZINC000647058049 406946618 /nfs/dbraw/zinc/94/66/18/406946618.db2.gz KOWDFXKQHCOIGT-IRXDYDNUSA-N 1 3 321.440 2.348 20 0 DEADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2)cc1 ZINC000647058049 406946619 /nfs/dbraw/zinc/94/66/19/406946619.db2.gz KOWDFXKQHCOIGT-IRXDYDNUSA-N 1 3 321.440 2.348 20 0 DEADHO [NH3+]CC1(O)CCN(CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000643086415 406953094 /nfs/dbraw/zinc/95/30/94/406953094.db2.gz PMUGBCBQSFBJFU-UHFFFAOYSA-N 1 3 316.367 2.424 20 0 DEADHO C[C@H](N[C@H](C[NH3+])C1CCCCC1)c1cccc(-n2cnnn2)c1 ZINC000643511259 407009207 /nfs/dbraw/zinc/00/92/07/407009207.db2.gz IPXLAYJBSMJPMH-SUMWQHHRSA-N 1 3 314.437 2.221 20 0 DEADHO CCC[C@@H]1C[NH2+]CCN1Cc1ccc(OCCN(C)C)cc1 ZINC000647510636 407010352 /nfs/dbraw/zinc/01/03/52/407010352.db2.gz PTIVWZBQSLUQIG-QGZVFWFLSA-N 1 3 305.466 2.201 20 0 DEADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(N2CCOCC2)c1 ZINC000643523962 407010857 /nfs/dbraw/zinc/01/08/57/407010857.db2.gz PXOWYTAPXLGTHO-USXIJHARSA-N 1 3 303.450 2.444 20 0 DEADHO O=C(CN[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)Nc1ccc(Cl)cc1 ZINC000647790176 407051297 /nfs/dbraw/zinc/05/12/97/407051297.db2.gz UCEZQHMZLLVRDX-SLEUVZQESA-N 1 3 307.825 2.256 20 0 DEADHO FC(F)COc1ncccc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647793921 407051632 /nfs/dbraw/zinc/05/16/32/407051632.db2.gz MIHPADWCAXFKRT-FPMFFAJLSA-N 1 3 311.376 2.203 20 0 DEADHO COC1([C@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)CCCC1 ZINC000643346172 406986378 /nfs/dbraw/zinc/98/63/78/406986378.db2.gz GLJDXOLOBFBWSA-JKSUJKDBSA-N 1 3 309.498 2.092 20 0 DEADHO C[C@@H]1CCNC[C@H]1[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000643457661 407002096 /nfs/dbraw/zinc/00/20/96/407002096.db2.gz VHHDUBPEPANUOT-BHIYHBOVSA-N 1 3 301.478 2.486 20 0 DEADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](C(=O)N1CCCC1)C(C)C ZINC000643470308 407004138 /nfs/dbraw/zinc/00/41/38/407004138.db2.gz BIXCJBAAUQIQCA-PBHICJAKSA-N 1 3 318.465 2.146 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(OCCN(C)C)cc1 ZINC000647483744 407006481 /nfs/dbraw/zinc/00/64/81/407006481.db2.gz GERQXJAFLZKZCJ-YJBOKZPZSA-N 1 3 305.466 2.329 20 0 DEADHO C[C@@H]1CCCN(Cc2ccc(OCCN(C)C)cc2)[C@H]1C[NH3+] ZINC000647496752 407007746 /nfs/dbraw/zinc/00/77/46/407007746.db2.gz NZPDUCIYNDRJCY-QAPCUYQASA-N 1 3 305.466 2.186 20 0 DEADHO O=C(CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)NCC1CCCCC1 ZINC000647975133 407091362 /nfs/dbraw/zinc/09/13/62/407091362.db2.gz MJDDECWEJSZCFI-ZWKOTPCHSA-N 1 3 321.509 2.395 20 0 DEADHO CCCCCNC(=O)[C@H](C)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975575 407091602 /nfs/dbraw/zinc/09/16/02/407091602.db2.gz CCWVQQVALGGXRE-BBWFWOEESA-N 1 3 309.498 2.393 20 0 DEADHO CCCN(CCC)C(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976783 407092790 /nfs/dbraw/zinc/09/27/90/407092790.db2.gz UHUVMXDTANWTDZ-IAGOWNOFSA-N 1 3 309.498 2.347 20 0 DEADHO c1cc2c(cc[nH+]c2N2CCC(CN3CCOCC3)CC2)[nH]1 ZINC000647857299 407062425 /nfs/dbraw/zinc/06/24/25/407062425.db2.gz LOWGZPUDEOYURW-UHFFFAOYSA-N 1 3 300.406 2.112 20 0 DEADHO CC[C@@H](O)C[NH2+]CCCOC1CCN(Cc2ccccc2)CC1 ZINC000644583863 407146623 /nfs/dbraw/zinc/14/66/23/407146623.db2.gz ABHQSNQNCDMHSZ-GOSISDBHSA-N 1 3 320.477 2.418 20 0 DEADHO CN(C[C@H](O)CNc1ccc2c(c1)CC[C@H]2[NH+](C)C)C1CC1 ZINC000644702988 407170257 /nfs/dbraw/zinc/17/02/57/407170257.db2.gz UCUAMAKRYMICIQ-SJLPKXTDSA-N 1 3 303.450 2.103 20 0 DEADHO CCCN(C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)[C@H]1CCN(C)C1 ZINC000645264095 407255766 /nfs/dbraw/zinc/25/57/66/407255766.db2.gz ZCBPEFSCTSIIMR-SJORKVTESA-N 1 3 324.513 2.233 20 0 DEADHO CCCN(C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)[C@H]1CCN(C)C1 ZINC000645264095 407255767 /nfs/dbraw/zinc/25/57/67/407255767.db2.gz ZCBPEFSCTSIIMR-SJORKVTESA-N 1 3 324.513 2.233 20 0 DEADHO CN1CC[C@]2(CC[N@H+](Cc3ccc(C(=O)NC4CC4)cc3)C2)C1 ZINC000644843143 407205441 /nfs/dbraw/zinc/20/54/41/407205441.db2.gz SAICFLWZKAXYCL-IBGZPJMESA-N 1 3 313.445 2.106 20 0 DEADHO CN1CC[C@]2(CC[N@@H+](Cc3ccc(C(=O)NC4CC4)cc3)C2)C1 ZINC000644843143 407205444 /nfs/dbraw/zinc/20/54/44/407205444.db2.gz SAICFLWZKAXYCL-IBGZPJMESA-N 1 3 313.445 2.106 20 0 DEADHO CCCN(C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCN(C)C1 ZINC000645205666 407247139 /nfs/dbraw/zinc/24/71/39/407247139.db2.gz KSTKRCXPDJIOKZ-ZACQAIPSSA-N 1 3 324.513 2.233 20 0 DEADHO CCCN(C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1)[C@H]1CCN(C)C1 ZINC000645205666 407247141 /nfs/dbraw/zinc/24/71/41/407247141.db2.gz KSTKRCXPDJIOKZ-ZACQAIPSSA-N 1 3 324.513 2.233 20 0 DEADHO Cc1ccccc1CN1CCCN(C(=O)[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000645472031 407282756 /nfs/dbraw/zinc/28/27/56/407282756.db2.gz GMJCZWUBNBYUQB-FUHWJXTLSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccc([C@H](CNC(=O)NCCC[NH2+]C(C)C)N(C)C)cc1 ZINC000570029534 292458894 /nfs/dbraw/zinc/45/88/94/292458894.db2.gz DDBDCFUBMXNHOH-KRWDZBQOSA-N 1 3 320.481 2.285 20 0 DEADHO C[C@@H]1CN(C(=O)NCCCCC[NH+]2CCCCC2)[C@@H](C)CN1 ZINC000417711556 296829646 /nfs/dbraw/zinc/82/96/46/296829646.db2.gz QCXAWVKULXQQAD-CVEARBPZSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000459775332 287030348 /nfs/dbraw/zinc/03/03/48/287030348.db2.gz JKQUYZWJVABWJY-HUUCEWRRSA-N 1 3 324.490 2.473 20 0 DEADHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000459775332 287030350 /nfs/dbraw/zinc/03/03/50/287030350.db2.gz JKQUYZWJVABWJY-HUUCEWRRSA-N 1 3 324.490 2.473 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)N(C)C ZINC000131916688 196209782 /nfs/dbraw/zinc/20/97/82/196209782.db2.gz XCEKVMXNNVIUIQ-KBAYOESNSA-N 1 3 317.477 2.496 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)N(C)C ZINC000131916688 196209783 /nfs/dbraw/zinc/20/97/83/196209783.db2.gz XCEKVMXNNVIUIQ-KBAYOESNSA-N 1 3 317.477 2.496 20 0 DEADHO CC(C)NC(=O)CCN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000133806610 196337335 /nfs/dbraw/zinc/33/73/35/196337335.db2.gz PTYGGARZJMFZCM-HNNXBMFYSA-N 1 3 321.465 2.192 20 0 DEADHO CC(C)NC(=O)CCN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000133806783 196337541 /nfs/dbraw/zinc/33/75/41/196337541.db2.gz PTYGGARZJMFZCM-OAHLLOKOSA-N 1 3 321.465 2.192 20 0 DEADHO CC[C@@]1(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)CCC[NH2+]1 ZINC000134367827 196382248 /nfs/dbraw/zinc/38/22/48/196382248.db2.gz NNUBWPOBGRTKDG-AEFFLSMTSA-N 1 3 303.450 2.458 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000423829823 287321818 /nfs/dbraw/zinc/32/18/18/287321818.db2.gz AABUXZJTIHGWPR-OIISXLGYSA-N 1 3 303.450 2.011 20 0 DEADHO C[C@@H](NC1CC1)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000295320477 224709981 /nfs/dbraw/zinc/70/99/81/224709981.db2.gz YZBLHNOZXDUTFV-ZIAGYGMSSA-N 1 3 303.450 2.373 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NC(C)(C)C[NH3+])CCN1Cc1ccccc1 ZINC000417828620 229116627 /nfs/dbraw/zinc/11/66/27/229116627.db2.gz FQVRMGWLDLRNMK-GDBMZVCRSA-N 1 3 318.465 2.076 20 0 DEADHO C[C@H]([NH3+])CCNC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000417711492 229075599 /nfs/dbraw/zinc/07/55/99/229075599.db2.gz VWZCCADHJCSBDM-KBPBESRZSA-N 1 3 306.454 2.152 20 0 DEADHO CSc1ccc([C@@H](CNC(=O)NCC(C)(C)[NH3+])N(C)C)cc1 ZINC000418236723 229281171 /nfs/dbraw/zinc/28/11/71/229281171.db2.gz UZQKFJRKKUPIKN-CQSZACIVSA-N 1 3 324.494 2.048 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000423070038 287619454 /nfs/dbraw/zinc/61/94/54/287619454.db2.gz CCKDBBICPDYSSR-ZSGPHXLJSA-N 1 3 306.425 2.269 20 0 DEADHO COC1([C@@H](C)[NH2+]Cc2ccnc(OCCN(C)C)c2)CCCC1 ZINC000421839768 230007547 /nfs/dbraw/zinc/00/75/47/230007547.db2.gz YIJRPPCAFNMARO-OAHLLOKOSA-N 1 3 321.465 2.459 20 0 DEADHO C[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)N1CCc2sccc2C1 ZINC000422713544 230175351 /nfs/dbraw/zinc/17/53/51/230175351.db2.gz KAEPWQGKJFYOPM-IIAWOOMASA-N 1 3 307.507 2.472 20 0 DEADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCCCN(C)c1ccccc1 ZINC000422744410 230185326 /nfs/dbraw/zinc/18/53/26/230185326.db2.gz VZUJTZDFNWAMGG-CGTJXYLNSA-N 1 3 305.466 2.245 20 0 DEADHO COc1ccc([C@@H](NCCN2CCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422774003 230203222 /nfs/dbraw/zinc/20/32/22/230203222.db2.gz ZQIJOMNLMZYREI-ZWKOTPCHSA-N 1 3 303.450 2.174 20 0 DEADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+])Oc1ccc(Cl)cc1 ZINC000422795642 230213593 /nfs/dbraw/zinc/21/35/93/230213593.db2.gz IAPHPGUKNMDAAK-GUYJKWIASA-N 1 3 312.841 2.449 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000422839598 230237106 /nfs/dbraw/zinc/23/71/06/230237106.db2.gz QUNOCGPHQLPJOK-ZFZWDLNGSA-N 1 3 323.868 2.261 20 0 DEADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)N(C)c1ccccc1 ZINC000422870337 230252320 /nfs/dbraw/zinc/25/23/20/230252320.db2.gz YNUHXCOKFHRXBT-XGXHKWSGSA-N 1 3 317.477 2.258 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000422871961 230253427 /nfs/dbraw/zinc/25/34/27/230253427.db2.gz FBSWWQRASXETQS-UMVBOHGHSA-N 1 3 308.857 2.291 20 0 DEADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000422887829 230259005 /nfs/dbraw/zinc/25/90/05/230259005.db2.gz LNGPAYDUGNUXGA-FDQGKXFDSA-N 1 3 301.434 2.442 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCCc1c[nH]c2ccccc12 ZINC000422887829 230259008 /nfs/dbraw/zinc/25/90/08/230259008.db2.gz LNGPAYDUGNUXGA-FDQGKXFDSA-N 1 3 301.434 2.442 20 0 DEADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3CCC[C@@H]3C[NH3+])c2)CCO1 ZINC000422908099 230273114 /nfs/dbraw/zinc/27/31/14/230273114.db2.gz YAPFJVGMQZEBFM-ATZDWAIDSA-N 1 3 317.477 2.124 20 0 DEADHO C[C@H](NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423015782 230316756 /nfs/dbraw/zinc/31/67/56/230316756.db2.gz RSFTVUDYLVKWBO-RYQLBKOJSA-N 1 3 315.461 2.155 20 0 DEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000423073024 230337507 /nfs/dbraw/zinc/33/75/07/230337507.db2.gz ICTWIVUOUJUMTM-DKIMLUQUSA-N 1 3 306.425 2.399 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000423073024 230337510 /nfs/dbraw/zinc/33/75/10/230337510.db2.gz ICTWIVUOUJUMTM-DKIMLUQUSA-N 1 3 306.425 2.399 20 0 DEADHO C[C@H](CCN[C@H]1CCCNC(=O)C1)[N@H+](C)Cc1ccccc1 ZINC000379653846 424907961 /nfs/dbraw/zinc/90/79/61/424907961.db2.gz GURVRFRNFQWZAM-WBVHZDCISA-N 1 3 303.450 2.155 20 0 DEADHO C[C@H](CCN[C@H]1CCCNC(=O)C1)[N@@H+](C)Cc1ccccc1 ZINC000379653846 424907964 /nfs/dbraw/zinc/90/79/64/424907964.db2.gz GURVRFRNFQWZAM-WBVHZDCISA-N 1 3 303.450 2.155 20 0 DEADHO CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000316670635 424899426 /nfs/dbraw/zinc/89/94/26/424899426.db2.gz YAQAQEFINQPPQT-DOTOQJQBSA-N 1 3 305.466 2.417 20 0 DEADHO C[C@@H]1CN(Cc2cccc(CN[C@H]3CCC[NH2+]CC3)c2)CCO1 ZINC000415087905 424950168 /nfs/dbraw/zinc/95/01/68/424950168.db2.gz VQAKQHIYRLLZIF-APWZRJJASA-N 1 3 317.477 2.139 20 0 DEADHO CN1CC=C(CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416196551 424956688 /nfs/dbraw/zinc/95/66/88/424956688.db2.gz WXZBBVJMWGDHMK-QGZVFWFLSA-N 1 3 301.434 2.058 20 0 DEADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000422748556 424987388 /nfs/dbraw/zinc/98/73/88/424987388.db2.gz VAVKDTJMMHDWII-FIFHEGHSSA-N 1 3 300.402 2.152 20 0 DEADHO CN1CCC(Nc2ccccc2NC(=O)CC(C)(C)[NH3+])CC1 ZINC000649315216 424990778 /nfs/dbraw/zinc/99/07/78/424990778.db2.gz VIVRIURYHVNYNX-UHFFFAOYSA-N 1 3 304.438 2.259 20 0 DEADHO CO[C@H](Cc1ccccc1)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000649351923 424998953 /nfs/dbraw/zinc/99/89/53/424998953.db2.gz RMQZNBTZEVONSK-LJQANCHMSA-N 1 3 311.429 2.461 20 0 DEADHO CC1CC[NH+](CCCNC(=O)N(C)CCN2CCCCC2)CC1 ZINC000650589551 425021793 /nfs/dbraw/zinc/02/17/93/425021793.db2.gz ZJCZIJABGMKTJA-UHFFFAOYSA-N 1 3 324.513 2.236 20 0 DEADHO CCOc1ccc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)nc1 ZINC000650707938 425039947 /nfs/dbraw/zinc/03/99/47/425039947.db2.gz QEFUBNHJTFOGRX-RLFYNMQTSA-N 1 3 319.449 2.199 20 0 DEADHO Cc1nn(C(C)C)cc1CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708274 425040204 /nfs/dbraw/zinc/04/02/04/425040204.db2.gz WVGIZSIQIZAAAP-RYQLBKOJSA-N 1 3 320.481 2.491 20 0 DEADHO CCN1C[C@@H](CN(C)CC[C@@H]2CC[NH2+]C2)Oc2ccccc21 ZINC000649411415 425014311 /nfs/dbraw/zinc/01/43/11/425014311.db2.gz UXNPNZYJXKOGGG-JKSUJKDBSA-N 1 3 303.450 2.205 20 0 DEADHO CC[N@H+](CCCNC(=O)N(C)CCN(C)C)C1CCCCC1 ZINC000651219694 425118483 /nfs/dbraw/zinc/11/84/83/425118483.db2.gz FIVVYYMCFMDJNP-UHFFFAOYSA-N 1 3 312.502 2.234 20 0 DEADHO CC[N@@H+](CCCNC(=O)N(C)CCN(C)C)C1CCCCC1 ZINC000651219694 425118484 /nfs/dbraw/zinc/11/84/84/425118484.db2.gz FIVVYYMCFMDJNP-UHFFFAOYSA-N 1 3 312.502 2.234 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC(N3CCOC[C@H]3C)CC2)C1 ZINC000660590799 425171203 /nfs/dbraw/zinc/17/12/03/425171203.db2.gz QMMZXFMRMGNEPW-FGTMMUONSA-N 1 3 323.525 2.149 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC(N3CCOC[C@H]3C)CC2)C1 ZINC000660590799 425171207 /nfs/dbraw/zinc/17/12/07/425171207.db2.gz QMMZXFMRMGNEPW-FGTMMUONSA-N 1 3 323.525 2.149 20 0 DEADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000660612025 425174378 /nfs/dbraw/zinc/17/43/78/425174378.db2.gz QPBBAMORCQSEFX-OAGGEKHMSA-N 1 3 324.513 2.421 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000666757100 425177715 /nfs/dbraw/zinc/17/77/15/425177715.db2.gz OQCMHYFLEKOTAR-INIZCTEOSA-N 1 3 312.502 2.088 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]CC2(N)CCCC2)cc1 ZINC000656789485 425191244 /nfs/dbraw/zinc/19/12/44/425191244.db2.gz OPJZJQDLXRWWAO-ZDUSSCGKSA-N 1 3 305.422 2.273 20 0 DEADHO COc1cccc(-c2n[nH]cc2CN[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000666852268 425197689 /nfs/dbraw/zinc/19/76/89/425197689.db2.gz WDCIQLBYZQGNNE-GJZGRUSLSA-N 1 3 300.406 2.445 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000660659711 425198773 /nfs/dbraw/zinc/19/87/73/425198773.db2.gz QDWBZXJNODACFM-HZPDHXFCSA-N 1 3 324.513 2.423 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000660659711 425198775 /nfs/dbraw/zinc/19/87/75/425198775.db2.gz QDWBZXJNODACFM-HZPDHXFCSA-N 1 3 324.513 2.423 20 0 DEADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2cc3cnccc3o2)CC1 ZINC000651733470 425145107 /nfs/dbraw/zinc/14/51/07/425145107.db2.gz IKTLBTZPWUGYHX-DLBZAZTESA-N 1 3 315.417 2.295 20 0 DEADHO CCN1CCN(CCC[NH2+]Cc2cccc3c2CCC3)CC1 ZINC000651750377 425145756 /nfs/dbraw/zinc/14/57/56/425145756.db2.gz GMWLYPMWGJGIHX-UHFFFAOYSA-N 1 3 301.478 2.293 20 0 DEADHO CN(CCN1CCCC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000666665003 425155005 /nfs/dbraw/zinc/15/50/05/425155005.db2.gz RMEWXVKDRYOVJU-MRXNPFEDSA-N 1 3 322.497 2.131 20 0 DEADHO CN(CCN1CCCC1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000666665003 425155009 /nfs/dbraw/zinc/15/50/09/425155009.db2.gz RMEWXVKDRYOVJU-MRXNPFEDSA-N 1 3 322.497 2.131 20 0 DEADHO COC1([C@@H](C)[NH2+]C[C@@H]2CCCN(CC3CC3)C2)CCOCC1 ZINC000663465301 425164835 /nfs/dbraw/zinc/16/48/35/425164835.db2.gz JGWAFZYIIYAVML-WBVHZDCISA-N 1 3 310.482 2.282 20 0 DEADHO COC1([C@@H](C)NC[C@@H]2CCC[N@H+](CC3CC3)C2)CCOCC1 ZINC000663465301 425164838 /nfs/dbraw/zinc/16/48/38/425164838.db2.gz JGWAFZYIIYAVML-WBVHZDCISA-N 1 3 310.482 2.282 20 0 DEADHO COC1([C@@H](C)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CCOCC1 ZINC000663465301 425164843 /nfs/dbraw/zinc/16/48/43/425164843.db2.gz JGWAFZYIIYAVML-WBVHZDCISA-N 1 3 310.482 2.282 20 0 DEADHO [NH3+]C[C@]12CCC[C@H]1CN(CCc1nc(-c3ccccc3)no1)C2 ZINC000652352108 425244548 /nfs/dbraw/zinc/24/45/48/425244548.db2.gz GIXPZZWQVAPBNS-YJBOKZPZSA-N 1 3 312.417 2.340 20 0 DEADHO NC[C@]12CCC[C@H]1C[N@H+](CCc1nc(-c3ccccc3)no1)C2 ZINC000652352108 425244551 /nfs/dbraw/zinc/24/45/51/425244551.db2.gz GIXPZZWQVAPBNS-YJBOKZPZSA-N 1 3 312.417 2.340 20 0 DEADHO NC[C@]12CCC[C@H]1C[N@@H+](CCc1nc(-c3ccccc3)no1)C2 ZINC000652352108 425244555 /nfs/dbraw/zinc/24/45/55/425244555.db2.gz GIXPZZWQVAPBNS-YJBOKZPZSA-N 1 3 312.417 2.340 20 0 DEADHO C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC(CC[NH3+])CC1 ZINC000652358852 425247258 /nfs/dbraw/zinc/24/72/58/425247258.db2.gz RNIMQFJEULLGGZ-OAHLLOKOSA-N 1 3 303.450 2.094 20 0 DEADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000653952231 425259819 /nfs/dbraw/zinc/25/98/19/425259819.db2.gz HKQCRRGKQXOSNI-BRWVUGGUSA-N 1 3 322.497 2.034 20 0 DEADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000653952231 425259821 /nfs/dbraw/zinc/25/98/21/425259821.db2.gz HKQCRRGKQXOSNI-BRWVUGGUSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H](NC(=O)NC[C@H]1CCN1C(C)(C)C)C(C)(C)C[NH+](C)C ZINC000660871498 425263641 /nfs/dbraw/zinc/26/36/41/425263641.db2.gz QEZKSTZXHDRETJ-ZIAGYGMSSA-N 1 3 312.502 2.135 20 0 DEADHO C[C@@H](NC(=O)NCCC1(C[NH3+])CC1)[C@H](c1ccccc1)N(C)C ZINC000652191406 425209548 /nfs/dbraw/zinc/20/95/48/425209548.db2.gz TZOJEPPUKNHYNC-GDBMZVCRSA-N 1 3 318.465 2.106 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)NCCC1(C[NH3+])CC1)c1ccco1 ZINC000652191225 425209977 /nfs/dbraw/zinc/20/99/77/425209977.db2.gz ODFBUAILJLPSGS-KBPBESRZSA-N 1 3 322.453 2.137 20 0 DEADHO COC[C@H](C)Oc1ccc(C[NH2+]CC2=CCN(C)CC2)cc1 ZINC000657428092 425331337 /nfs/dbraw/zinc/33/13/37/425331337.db2.gz XZKFVSZLWCQAHW-HNNXBMFYSA-N 1 3 304.434 2.452 20 0 DEADHO C[C@@H]1CCC[N@H+](CCNC(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000654374188 425336768 /nfs/dbraw/zinc/33/67/68/425336768.db2.gz LRSFPARGFQWEJV-BRWVUGGUSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000654374188 425336781 /nfs/dbraw/zinc/33/67/81/425336781.db2.gz LRSFPARGFQWEJV-BRWVUGGUSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@H](C[NH2+]Cc1ccnn1-c1ccncc1)N1CCC(C)CC1 ZINC000657336187 425308148 /nfs/dbraw/zinc/30/81/48/425308148.db2.gz XWUYREAPRAEVQK-MRXNPFEDSA-N 1 3 313.449 2.477 20 0 DEADHO C[C@H](CNCc1ccnn1-c1ccncc1)[NH+]1CCC(C)CC1 ZINC000657336187 425308151 /nfs/dbraw/zinc/30/81/51/425308151.db2.gz XWUYREAPRAEVQK-MRXNPFEDSA-N 1 3 313.449 2.477 20 0 DEADHO C[N@H+](CCNC(=O)N[C@H]1CCCN2CCCC[C@H]12)C1CCCC1 ZINC000654430042 425350559 /nfs/dbraw/zinc/35/05/59/425350559.db2.gz CPAJLCLUMXCJAJ-DLBZAZTESA-N 1 3 322.497 2.177 20 0 DEADHO C[N@@H+](CCNC(=O)N[C@H]1CCCN2CCCC[C@H]12)C1CCCC1 ZINC000654430042 425350561 /nfs/dbraw/zinc/35/05/61/425350561.db2.gz CPAJLCLUMXCJAJ-DLBZAZTESA-N 1 3 322.497 2.177 20 0 DEADHO CN(C)CCC[N@H+](C)CCNc1nc2ccc(F)cc2n1C ZINC000664246269 425344473 /nfs/dbraw/zinc/34/44/73/425344473.db2.gz WZXIYSYZWXQMER-UHFFFAOYSA-N 1 3 307.417 2.008 20 0 DEADHO CN(C)CCC[N@@H+](C)CCNc1nc2ccc(F)cc2n1C ZINC000664246269 425344476 /nfs/dbraw/zinc/34/44/76/425344476.db2.gz WZXIYSYZWXQMER-UHFFFAOYSA-N 1 3 307.417 2.008 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000661198194 425348002 /nfs/dbraw/zinc/34/80/02/425348002.db2.gz LKUZEJPEOGLBIN-GJZGRUSLSA-N 1 3 312.502 2.279 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000661198194 425348005 /nfs/dbraw/zinc/34/80/05/425348005.db2.gz LKUZEJPEOGLBIN-GJZGRUSLSA-N 1 3 312.502 2.279 20 0 DEADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000653109763 425406102 /nfs/dbraw/zinc/40/61/02/425406102.db2.gz LVPOAQADUSRFTM-ZWKOTPCHSA-N 1 3 315.461 2.329 20 0 DEADHO C[NH+](C)CCOc1cccc(CN[C@H]2COC3(CCC3)C2)c1 ZINC000657840564 425408436 /nfs/dbraw/zinc/40/84/36/425408436.db2.gz HEHOXKWBCRVJKF-MRXNPFEDSA-N 1 3 304.434 2.428 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CCC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000653119635 425410926 /nfs/dbraw/zinc/41/09/26/425410926.db2.gz QKRVWJLVIXZLSB-NVXWUHKLSA-N 1 3 303.450 2.013 20 0 DEADHO CC[C@H]1C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CO1 ZINC000657613248 425374615 /nfs/dbraw/zinc/37/46/15/425374615.db2.gz JQIRRXKSMPZHOJ-ROUUACIJSA-N 1 3 303.450 2.451 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000654701098 425418016 /nfs/dbraw/zinc/41/80/16/425418016.db2.gz YIIMRIGTSGGLGY-KRWDZBQOSA-N 1 3 321.509 2.443 20 0 DEADHO C[NH+]1CCC(C)(CNC(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000654731874 425426843 /nfs/dbraw/zinc/42/68/43/425426843.db2.gz OHQGXIZDJUBNHF-HZPDHXFCSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H](CCNC(=O)NC[C@@H]1CCN1C(C)(C)C)[NH+]1CCCCC1 ZINC000664643426 425429697 /nfs/dbraw/zinc/42/96/97/425429697.db2.gz FOQMUCOAOLCJNL-HOTGVXAUSA-N 1 3 324.513 2.423 20 0 DEADHO Cc1n[nH]cc1[C@H](C)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000658068660 425432060 /nfs/dbraw/zinc/43/20/60/425432060.db2.gz XWZREUNHFLDJFZ-ZDUSSCGKSA-N 1 3 306.454 2.260 20 0 DEADHO C[C@H]1C[C@@H](NCC2CC[NH+](C3CCOCC3)CC2)c2nccn21 ZINC000658069248 425432720 /nfs/dbraw/zinc/43/27/20/425432720.db2.gz DTUXBPKAWMNYCD-WMLDXEAASA-N 1 3 318.465 2.370 20 0 DEADHO Cc1n[nH]cc1[C@H](C)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658135911 425442879 /nfs/dbraw/zinc/44/28/79/425442879.db2.gz FVBFBAGJFCRTMY-GUYCJALGSA-N 1 3 314.433 2.136 20 0 DEADHO Cc1n[nH]cc1[C@H](C)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658135911 425442883 /nfs/dbraw/zinc/44/28/83/425442883.db2.gz FVBFBAGJFCRTMY-GUYCJALGSA-N 1 3 314.433 2.136 20 0 DEADHO O[C@H]1CCN(Cc2ccc(C[NH2+][C@H]3COC4(CCC4)C3)cc2)C1 ZINC000658139025 425444242 /nfs/dbraw/zinc/44/42/42/425444242.db2.gz PYPXJISRKGTPAW-MSOLQXFVSA-N 1 3 316.445 2.054 20 0 DEADHO CC(C)(C(=O)NCCC1CC[NH2+]CC1)[C@@H](N)c1ccccc1 ZINC000653273221 425448439 /nfs/dbraw/zinc/44/84/39/425448439.db2.gz TVYFKJYFOPANHJ-INIZCTEOSA-N 1 3 303.450 2.219 20 0 DEADHO CCN(C(=O)NC[C@@H]1CCCCN1C1CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000664760660 425449656 /nfs/dbraw/zinc/44/96/56/425449656.db2.gz ZASZDXLTPZSTQZ-DLBZAZTESA-N 1 3 322.497 2.129 20 0 DEADHO CCN(C(=O)NC[C@@H]1CCCCN1C1CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000664760660 425449659 /nfs/dbraw/zinc/44/96/59/425449659.db2.gz ZASZDXLTPZSTQZ-DLBZAZTESA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H]1C[C@H]([NH2+][C@@H]2CNCC[C@@H]2c2cccc(F)c2)CCN1C ZINC000665254766 425530043 /nfs/dbraw/zinc/53/00/43/425530043.db2.gz YVGGFMOFEUNJGS-OKDNKWQNSA-N 1 3 305.441 2.344 20 0 DEADHO CC(C)(C)c1cccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000662275460 425610246 /nfs/dbraw/zinc/61/02/46/425610246.db2.gz CRZLUDWGLWZPBF-SFHVURJKSA-N 1 3 301.478 2.464 20 0 DEADHO COc1ccc([C@@H](C)C[NH+]2CCC(N3CC[C@@H](O)C3)CC2)cc1 ZINC000662146687 425574445 /nfs/dbraw/zinc/57/44/45/425574445.db2.gz AJRFGTUOPXGOSC-MAUKXSAKSA-N 1 3 318.461 2.330 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000655495499 425582618 /nfs/dbraw/zinc/58/26/18/425582618.db2.gz ZYVOZEXBZGECHU-MRXNPFEDSA-N 1 3 303.450 2.062 20 0 DEADHO COc1ccc([C@H]2CC[N@H+](C[C@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662256087 425603386 /nfs/dbraw/zinc/60/33/86/425603386.db2.gz FVZVIDBVPQZOKT-DOTOQJQBSA-N 1 3 302.418 2.006 20 0 DEADHO COc1ccc([C@H]2CC[N@@H+](C[C@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662256087 425603387 /nfs/dbraw/zinc/60/33/87/425603387.db2.gz FVZVIDBVPQZOKT-DOTOQJQBSA-N 1 3 302.418 2.006 20 0 DEADHO CCO[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCC3(CNC3)O2)C1(CC)CC ZINC000662259358 425603789 /nfs/dbraw/zinc/60/37/89/425603789.db2.gz VPKGWXFTBYPMFP-OWCLPIDISA-N 1 3 310.482 2.423 20 0 DEADHO CCO[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCC3(CNC3)O2)C1(CC)CC ZINC000662259358 425603796 /nfs/dbraw/zinc/60/37/96/425603796.db2.gz VPKGWXFTBYPMFP-OWCLPIDISA-N 1 3 310.482 2.423 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000659442010 425604081 /nfs/dbraw/zinc/60/40/81/425604081.db2.gz KJMSUAIWFUAYBQ-GDBMZVCRSA-N 1 3 318.465 2.201 20 0 DEADHO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662261910 425606631 /nfs/dbraw/zinc/60/66/31/425606631.db2.gz CGXTUWMLNMWYLR-DLBZAZTESA-N 1 3 315.461 2.238 20 0 DEADHO CC[C@H]1CN(C)c2ccccc2C[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662261910 425606635 /nfs/dbraw/zinc/60/66/35/425606635.db2.gz CGXTUWMLNMWYLR-DLBZAZTESA-N 1 3 315.461 2.238 20 0 DEADHO C[C@@H]1CC[C@@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)CS1 ZINC000655738847 425642887 /nfs/dbraw/zinc/64/28/87/425642887.db2.gz ZPVYXLIQQQGFEG-UKRRQHHQSA-N 1 3 309.479 2.396 20 0 DEADHO C[C@H]1CC[C@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)CS1 ZINC000655738848 425643199 /nfs/dbraw/zinc/64/31/99/425643199.db2.gz ZPVYXLIQQQGFEG-ZFWWWQNUSA-N 1 3 309.479 2.396 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc2c1CNC2 ZINC000662405160 425643539 /nfs/dbraw/zinc/64/35/39/425643539.db2.gz XEUWYRDIPQIPOZ-KGLIPLIRSA-N 1 3 301.434 2.140 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc2c1CNC2 ZINC000662405160 425643544 /nfs/dbraw/zinc/64/35/44/425643544.db2.gz XEUWYRDIPQIPOZ-KGLIPLIRSA-N 1 3 301.434 2.140 20 0 DEADHO C[C@@H](CNC(=O)C[C@H]1NCc2ccccc21)[NH+]1CCC(C)CC1 ZINC000662416563 425646518 /nfs/dbraw/zinc/64/65/18/425646518.db2.gz CZMVHMLVDZYWGS-MAUKXSAKSA-N 1 3 315.461 2.458 20 0 DEADHO CCCCN(C)C[C@@H](C)[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000655768325 425649617 /nfs/dbraw/zinc/64/96/17/425649617.db2.gz VSAUEHUJTTVKDX-AEFFLSMTSA-N 1 3 311.514 2.340 20 0 DEADHO C[C@H](CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)N(C)C1CC1 ZINC000662442386 425651616 /nfs/dbraw/zinc/65/16/16/425651616.db2.gz SDZXZLMCILNVJB-CZUORRHYSA-N 1 3 315.461 2.278 20 0 DEADHO C[NH+](C)C1(CNC(=O)c2cccc3c2CNC3)CCCCC1 ZINC000662442272 425651947 /nfs/dbraw/zinc/65/19/47/425651947.db2.gz JIZQCDWDMRSFFA-UHFFFAOYSA-N 1 3 301.434 2.284 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000662451479 425653949 /nfs/dbraw/zinc/65/39/49/425653949.db2.gz BTQHYCRGCQIQRM-WMZOPIPTSA-N 1 3 313.445 2.308 20 0 DEADHO CC[NH+](CC)C[C@H]1CCN(C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662481354 425662625 /nfs/dbraw/zinc/66/26/25/425662625.db2.gz CDIMLKXAUVSACD-QAPCUYQASA-N 1 3 315.461 2.411 20 0 DEADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc2c(s1)CCNC2 ZINC000662493289 425665288 /nfs/dbraw/zinc/66/52/88/425665288.db2.gz JONYLAXPLCNTCM-CYBMUJFWSA-N 1 3 309.479 2.100 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662499184 425667327 /nfs/dbraw/zinc/66/73/27/425667327.db2.gz XFZOVEJFIVDELO-CRAIPNDOSA-N 1 3 315.461 2.315 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662499184 425667331 /nfs/dbraw/zinc/66/73/31/425667331.db2.gz XFZOVEJFIVDELO-CRAIPNDOSA-N 1 3 315.461 2.315 20 0 DEADHO CN1CC[C@@H](NC(=O)NCC2([NH3+])CCCC2)[C@H]1c1ccccc1 ZINC000659473397 425612267 /nfs/dbraw/zinc/61/22/67/425612267.db2.gz JDBJSPXPYFBXRV-HZPDHXFCSA-N 1 3 316.449 2.003 20 0 DEADHO CC(C)(C)CCNC(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298767 425618286 /nfs/dbraw/zinc/61/82/86/425618286.db2.gz XUACVNISCXUUFN-MRXNPFEDSA-N 1 3 309.498 2.250 20 0 DEADHO CC[C@@H](CN1CCCC1)NC(=O)NCCCCC[NH+]1CCCC1 ZINC000655679326 425625436 /nfs/dbraw/zinc/62/54/36/425625436.db2.gz BFBZKISVHPDODI-KRWDZBQOSA-N 1 3 324.513 2.426 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000659877964 425678631 /nfs/dbraw/zinc/67/86/31/425678631.db2.gz VXXMSROUAQJDEQ-IAGOWNOFSA-N 1 3 311.514 2.148 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000659877964 425678634 /nfs/dbraw/zinc/67/86/34/425678634.db2.gz VXXMSROUAQJDEQ-IAGOWNOFSA-N 1 3 311.514 2.148 20 0 DEADHO CC(C)(C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)N1CCCCC1 ZINC000655683284 425628357 /nfs/dbraw/zinc/62/83/57/425628357.db2.gz CWWUESCVVFCMLB-GOSISDBHSA-N 1 3 323.525 2.484 20 0 DEADHO CC(C)[NH+](CCNC(=O)C[C@@H]1NCc2ccccc21)C(C)C ZINC000662344264 425628994 /nfs/dbraw/zinc/62/89/94/425628994.db2.gz PCNHJQJDEJWLPO-KRWDZBQOSA-N 1 3 303.450 2.456 20 0 DEADHO CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000662347276 425629065 /nfs/dbraw/zinc/62/90/65/425629065.db2.gz ZKIKLXWITDGYKX-ZWKOTPCHSA-N 1 3 319.493 2.287 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2c(s1)CCNC2 ZINC000662351424 425630311 /nfs/dbraw/zinc/63/03/11/425630311.db2.gz KBGKZLRUDUVMOM-CYBMUJFWSA-N 1 3 321.490 2.388 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc2c(s1)CCNC2 ZINC000662351424 425630312 /nfs/dbraw/zinc/63/03/12/425630312.db2.gz KBGKZLRUDUVMOM-CYBMUJFWSA-N 1 3 321.490 2.388 20 0 DEADHO [NH3+]CCCN(CC1CCCC1)C(=O)c1cccc2c1CNC2 ZINC000662564761 425682723 /nfs/dbraw/zinc/68/27/23/425682723.db2.gz WIPSCQFSRGIILG-UHFFFAOYSA-N 1 3 301.434 2.271 20 0 DEADHO C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000662833780 425744085 /nfs/dbraw/zinc/74/40/85/425744085.db2.gz ADGVKBXYGDLTHL-IAOVAPTHSA-N 1 3 301.434 2.453 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@@H]2[NH2+]CCC2(C)C)N(C)C)cc1 ZINC000662663986 425706196 /nfs/dbraw/zinc/70/61/96/425706196.db2.gz RKTIYJNPAABWMS-IRXDYDNUSA-N 1 3 317.477 2.356 20 0 DEADHO CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)C[C@@H](O)CN(C)C(C)C ZINC000659988349 425707174 /nfs/dbraw/zinc/70/71/74/425707174.db2.gz MJBVZHPWIFTWDB-RBUKOAKNSA-N 1 3 322.493 2.207 20 0 DEADHO CC(C)[C@@H](CO)[N@H+](Cc1ccccc1)C[C@@H](O)CN(C)C(C)C ZINC000659988349 425707177 /nfs/dbraw/zinc/70/71/77/425707177.db2.gz MJBVZHPWIFTWDB-RBUKOAKNSA-N 1 3 322.493 2.207 20 0 DEADHO CC[NH+]1CCC(N(C)C(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000662673487 425709296 /nfs/dbraw/zinc/70/92/96/425709296.db2.gz LRQFKEOXLKFYMK-KRWDZBQOSA-N 1 3 301.434 2.164 20 0 DEADHO CC1CCN([C@@H](CNC(=O)CC2([NH3+])CC2)c2ccccc2)CC1 ZINC000662691980 425714510 /nfs/dbraw/zinc/71/45/10/425714510.db2.gz MGSXHVHFKYRGKX-KRWDZBQOSA-N 1 3 315.461 2.457 20 0 DEADHO C[C@@H]1CCC[C@](CNC(=O)C2(NC3CC3)CCC2)([NH+](C)C)C1 ZINC000662693910 425714924 /nfs/dbraw/zinc/71/49/24/425714924.db2.gz ZILOTUZROUHJCL-PBHICJAKSA-N 1 3 307.482 2.288 20 0 DEADHO N[C@H]1CCC[C@@H]([NH2+]CCCN2CCN(c3ccccc3)CC2)C1 ZINC000656197144 425727995 /nfs/dbraw/zinc/72/79/95/425727995.db2.gz IOCSZHYDKBVJLS-ZWKOTPCHSA-N 1 3 316.493 2.058 20 0 DEADHO C[C@H](CN[C@H](Cc1ccccc1)[C@H](C)[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200880 425730292 /nfs/dbraw/zinc/73/02/92/425730292.db2.gz WUQXYPJYAWRHLL-QLCXLMDBSA-N 1 3 319.493 2.032 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000660361924 425801010 /nfs/dbraw/zinc/80/10/10/425801010.db2.gz CNLCYVTUEQAJTA-MRXNPFEDSA-N 1 3 322.497 2.033 20 0 DEADHO N[C@H](CC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000662840160 425745468 /nfs/dbraw/zinc/74/54/68/425745468.db2.gz YNTFXRAKQNHJSE-IXDOHACOSA-N 1 3 301.434 2.210 20 0 DEADHO N[C@H](CC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000662840160 425745469 /nfs/dbraw/zinc/74/54/69/425745469.db2.gz YNTFXRAKQNHJSE-IXDOHACOSA-N 1 3 301.434 2.210 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662843838 425747772 /nfs/dbraw/zinc/74/77/72/425747772.db2.gz VQQFYISYVISJSL-IRXDYDNUSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662883442 425756589 /nfs/dbraw/zinc/75/65/89/425756589.db2.gz KBKDAKUWOGPJTN-CPUCHLNUSA-N 1 3 317.433 2.159 20 0 DEADHO CCN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1CCN(C)C1 ZINC000663409010 425836514 /nfs/dbraw/zinc/83/65/14/425836514.db2.gz JQXRNPAJAGDAEN-AWEZNQCLSA-N 1 3 310.486 2.031 20 0 DEADHO C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000390780639 269098275 /nfs/dbraw/zinc/09/82/75/269098275.db2.gz QSLWOBYTYGTGBC-BPQIPLTHSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)N(C)Cc1ccccc1 ZINC000390718041 269098296 /nfs/dbraw/zinc/09/82/96/269098296.db2.gz LTSDRKUEKJAOJM-WBVHZDCISA-N 1 3 303.450 2.155 20 0 DEADHO COC[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)C(C)C ZINC000397575311 269106983 /nfs/dbraw/zinc/10/69/83/269106983.db2.gz BEAXXJBRGVMGGI-GOSISDBHSA-N 1 3 320.477 2.274 20 0 DEADHO CC(C)[NH2+]CCC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000398081839 269107910 /nfs/dbraw/zinc/10/79/10/269107910.db2.gz SAHOAJCOJUDKHJ-WBVHZDCISA-N 1 3 303.450 2.154 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@H](N)C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000399073669 269110385 /nfs/dbraw/zinc/11/03/85/269110385.db2.gz OQMVJEFYGBLDQT-ZTFGCOKTSA-N 1 3 315.461 2.283 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@H](N)C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000399073669 269110387 /nfs/dbraw/zinc/11/03/87/269110387.db2.gz OQMVJEFYGBLDQT-ZTFGCOKTSA-N 1 3 315.461 2.283 20 0 DEADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1cccc(F)c1 ZINC000423144383 269115507 /nfs/dbraw/zinc/11/55/07/269115507.db2.gz GUCBPYWPOGIZII-XWTMOSNGSA-N 1 3 306.425 2.239 20 0 DEADHO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCCN1C ZINC000495689868 269168454 /nfs/dbraw/zinc/16/84/54/269168454.db2.gz VJQWNUUGRPRPCM-HOTGVXAUSA-N 1 3 311.470 2.460 20 0 DEADHO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1CC[C@@H]1CCCN1C ZINC000495689868 269168456 /nfs/dbraw/zinc/16/84/56/269168456.db2.gz VJQWNUUGRPRPCM-HOTGVXAUSA-N 1 3 311.470 2.460 20 0 DEADHO CC(C)COC(=O)N1CCCN(CCC2CC[NH2+]CC2)CC1 ZINC000496892656 269263438 /nfs/dbraw/zinc/26/34/38/269263438.db2.gz KXVJXWJLGHNFEQ-UHFFFAOYSA-N 1 3 311.470 2.176 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)CCCC[NH+](C)C ZINC000518296594 269397833 /nfs/dbraw/zinc/39/78/33/269397833.db2.gz IXDJUJJYRXSVDH-UHFFFAOYSA-N 1 3 311.495 2.370 20 0 DEADHO COc1ccc2c(c1)C[C@H]([NH2+]C[C@H](C)CN1CCCC1)CO2 ZINC000295928866 274127563 /nfs/dbraw/zinc/12/75/63/274127563.db2.gz KFQBJJJIPNFNRQ-HOCLYGCPSA-N 1 3 304.434 2.320 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000418353324 275749014 /nfs/dbraw/zinc/74/90/14/275749014.db2.gz NFEUBAHZGZHGNR-KBRIMQKVSA-N 1 3 318.465 2.236 20 0 DEADHO CCN(C(=O)[C@H]1CC[NH2+]1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000444159163 276064292 /nfs/dbraw/zinc/06/42/92/276064292.db2.gz ITLGKFPEZJOCLX-DJIMGWMZSA-N 1 3 301.434 2.032 20 0 DEADHO CCN1CCC(NC(=O)C[NH2+][C@H]2CCC(C)(C)C[C@@H]2C)CC1 ZINC000411546670 276150240 /nfs/dbraw/zinc/15/02/40/276150240.db2.gz BFHSPMKTQNYOOM-HOCLYGCPSA-N 1 3 309.498 2.391 20 0 DEADHO CCCN(C)CC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000437056730 276246133 /nfs/dbraw/zinc/24/61/33/276246133.db2.gz RRSRGDLIECFOHF-GOSISDBHSA-N 1 3 317.477 2.309 20 0 DEADHO CCCN(C)CC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000437056730 276246134 /nfs/dbraw/zinc/24/61/34/276246134.db2.gz RRSRGDLIECFOHF-GOSISDBHSA-N 1 3 317.477 2.309 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H](C)CCC[NH3+] ZINC000418686794 276353913 /nfs/dbraw/zinc/35/39/13/276353913.db2.gz KUJFXFZDMQIYOQ-OAHLLOKOSA-N 1 3 320.481 2.407 20 0 DEADHO C[N@@H+]1CC[C@H](N[C@H]2CNCCC2(F)F)C[C@@H]1c1ccccc1 ZINC000423477768 277173520 /nfs/dbraw/zinc/17/35/20/277173520.db2.gz KJKBWDMTEGGPDQ-XHSDSOJGSA-N 1 3 309.404 2.409 20 0 DEADHO C[N@H+]1CC[C@H](N[C@H]2CNCCC2(F)F)C[C@@H]1c1ccccc1 ZINC000423477768 277173522 /nfs/dbraw/zinc/17/35/22/277173522.db2.gz KJKBWDMTEGGPDQ-XHSDSOJGSA-N 1 3 309.404 2.409 20 0 DEADHO CS[C@@H](CO)[C@@H](C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000154178545 278141849 /nfs/dbraw/zinc/14/18/49/278141849.db2.gz YZJOUCJCDRGDMW-CJNGLKHVSA-N 1 3 300.512 2.486 20 0 DEADHO CS[C@@H](CO)[C@@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000154178545 278141851 /nfs/dbraw/zinc/14/18/51/278141851.db2.gz YZJOUCJCDRGDMW-CJNGLKHVSA-N 1 3 300.512 2.486 20 0 DEADHO CC(C)C[C@@H]([NH3+])C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000353756159 278994130 /nfs/dbraw/zinc/99/41/30/278994130.db2.gz UTEZNHCJQRWOOC-WMLDXEAASA-N 1 3 318.465 2.097 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)C1 ZINC000247379605 279034949 /nfs/dbraw/zinc/03/49/49/279034949.db2.gz UCRKIKMXZXYFGY-ULQDDVLXSA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)C1 ZINC000247379605 279034950 /nfs/dbraw/zinc/03/49/50/279034950.db2.gz UCRKIKMXZXYFGY-ULQDDVLXSA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)C[C@H](C)N(C)C(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424287569 279098760 /nfs/dbraw/zinc/09/87/60/279098760.db2.gz IZYKBNGFNJHUJZ-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[C@H](C)N(C)C(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424287561 279098770 /nfs/dbraw/zinc/09/87/70/279098770.db2.gz IZYKBNGFNJHUJZ-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO CCN1CC[C@H](NC(=O)N[C@H]2CCCC[C@@H]2C[NH+](CC)CC)C1 ZINC000413832758 279133604 /nfs/dbraw/zinc/13/36/04/279133604.db2.gz HXHRIOGDSIKHQE-IKGGRYGDSA-N 1 3 324.513 2.280 20 0 DEADHO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H](N)CC2CCCCC2)C1 ZINC000423430121 279134756 /nfs/dbraw/zinc/13/47/56/279134756.db2.gz HWTFXOIOALFUCZ-SJORKVTESA-N 1 3 309.498 2.474 20 0 DEADHO CCN(CCNC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C)C1CC1 ZINC000438858977 279198917 /nfs/dbraw/zinc/19/89/17/279198917.db2.gz OVFODZKUEPLYRT-KRWDZBQOSA-N 1 3 324.513 2.280 20 0 DEADHO CCN(CCNC(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C)C1CC1 ZINC000438858977 279198920 /nfs/dbraw/zinc/19/89/20/279198920.db2.gz OVFODZKUEPLYRT-KRWDZBQOSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000376330247 279328162 /nfs/dbraw/zinc/32/81/62/279328162.db2.gz CENJDVGVXPYESE-SJORKVTESA-N 1 3 317.477 2.403 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272250651 279353562 /nfs/dbraw/zinc/35/35/62/279353562.db2.gz IGUWIWPDNQTJNE-SJLPKXTDSA-N 1 3 317.477 2.353 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272250651 279353563 /nfs/dbraw/zinc/35/35/63/279353563.db2.gz IGUWIWPDNQTJNE-SJLPKXTDSA-N 1 3 317.477 2.353 20 0 DEADHO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CC1(C)CCN(C)CC1 ZINC000273406003 279362459 /nfs/dbraw/zinc/36/24/59/279362459.db2.gz HDSZGQYVRJTSPY-OAHLLOKOSA-N 1 3 324.490 2.170 20 0 DEADHO CCN1CCN(c2ccccc2CN2CCC[C@H]2C[NH2+]C)CC1 ZINC000346641270 279375619 /nfs/dbraw/zinc/37/56/19/279375619.db2.gz LQOYVNHYSKHSDC-SFHVURJKSA-N 1 3 316.493 2.012 20 0 DEADHO CC[C@H]1CCCCN1C(=O)[C@@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000350951513 288192567 /nfs/dbraw/zinc/19/25/67/288192567.db2.gz PERRIYKVZPGDDD-WBVHZDCISA-N 1 3 309.498 2.440 20 0 DEADHO C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CC[C@H](N3CCNCC3)C2)C1 ZINC000414780821 280173983 /nfs/dbraw/zinc/17/39/83/280173983.db2.gz HEQMJFRAZCBSQV-UFYCRDLUSA-N 1 3 313.489 2.476 20 0 DEADHO C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CC[C@H](N3CCNCC3)C2)C1 ZINC000414780821 280173986 /nfs/dbraw/zinc/17/39/86/280173986.db2.gz HEQMJFRAZCBSQV-UFYCRDLUSA-N 1 3 313.489 2.476 20 0 DEADHO C[C@@H](CC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1 ZINC000103211447 281651413 /nfs/dbraw/zinc/65/14/13/281651413.db2.gz RBZXFZBYCCYSSO-INIZCTEOSA-N 1 3 305.466 2.132 20 0 DEADHO CCc1ccc([C@H](C)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)o1 ZINC000423456488 288561652 /nfs/dbraw/zinc/56/16/52/288561652.db2.gz NSKBWTSJXXPHCX-PNPHSEOMSA-N 1 3 319.449 2.139 20 0 DEADHO C[C@@H]1[C@H](NC(=O)N2CCN(CCC(C)(C)C)CC2)CCC[N@@H+]1C ZINC000345750788 289052196 /nfs/dbraw/zinc/05/21/96/289052196.db2.gz OKWOLFMEDVLILY-HZPDHXFCSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H]1[C@H](NC(=O)N2CCN(CCC(C)(C)C)CC2)CCC[N@H+]1C ZINC000345750788 289052200 /nfs/dbraw/zinc/05/22/00/289052200.db2.gz OKWOLFMEDVLILY-HZPDHXFCSA-N 1 3 324.513 2.233 20 0 DEADHO CN1[C@@H]2CC[C@H]1CN(C(=O)NCCCCCCC[NH+](C)C)CC2 ZINC000246189490 289110505 /nfs/dbraw/zinc/11/05/05/289110505.db2.gz MJLRUOJSLSBXMK-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)N1CCCCCC1 ZINC000155200657 289299596 /nfs/dbraw/zinc/29/95/96/289299596.db2.gz FYKSPJWSYHOFNO-BRWVUGGUSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)N1CCCCCC1 ZINC000155200657 289299601 /nfs/dbraw/zinc/29/96/01/289299601.db2.gz FYKSPJWSYHOFNO-BRWVUGGUSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCC(CS(C)(=O)=O)CC2)C1 ZINC000340259471 289308732 /nfs/dbraw/zinc/30/87/32/289308732.db2.gz OEELZICDEPXNAU-SSHXOBKSSA-N 1 3 316.511 2.052 20 0 DEADHO CN(C)[C@H](CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])c1ccccc1 ZINC000263296078 289359635 /nfs/dbraw/zinc/35/96/35/289359635.db2.gz WIXVJXYCEWMNTG-LZLYRXPVSA-N 1 3 303.450 2.313 20 0 DEADHO CN(C)[C@H](CNC(=O)[C@H](C[NH3+])c1ccccc1)c1ccccc1 ZINC000237198335 289360977 /nfs/dbraw/zinc/36/09/77/289360977.db2.gz KUUNPSIIMIQVCV-QZTJIDSGSA-N 1 3 311.429 2.148 20 0 DEADHO C[C@H](NCc1ccncc1OCCC[NH+](C)C)[C@H]1CCCO1 ZINC000344129205 289983261 /nfs/dbraw/zinc/98/32/61/289983261.db2.gz XGVOQHQYPDSOHI-GOEBONIOSA-N 1 3 307.438 2.069 20 0 DEADHO COc1cc(NCCN[C@H]2CC[NH2+]CC[C@H]2C)cc(OC)c1 ZINC000423007463 295003071 /nfs/dbraw/zinc/00/30/71/295003071.db2.gz XTAFPCGQRSIUDN-DYVFJYSZSA-N 1 3 307.438 2.093 20 0 DEADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)CC[C@H](C)[NH3+])cc1 ZINC000423892936 295212728 /nfs/dbraw/zinc/21/27/28/295212728.db2.gz KRPHKLCRAZAXDI-WMLDXEAASA-N 1 3 319.449 2.076 20 0 DEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000311168989 295267472 /nfs/dbraw/zinc/26/74/72/295267472.db2.gz RROPXPYMVIDXKX-YPMHNXCESA-N 1 3 315.259 2.143 20 0 DEADHO C[C@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C)N1CCCCCC1 ZINC000346153163 298076014 /nfs/dbraw/zinc/07/60/14/298076014.db2.gz FRVCRDXKUDLLRN-GVDBMIGSSA-N 1 3 307.482 2.336 20 0 DEADHO C[C@H](C1CC1)N(C(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)C1CC1 ZINC000424298037 298248617 /nfs/dbraw/zinc/24/86/17/298248617.db2.gz TUKMTJJYDPYBBB-LSDHHAIUSA-N 1 3 319.493 2.240 20 0 DEADHO C[C@H](CC(C)(C)O)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423154116 298325795 /nfs/dbraw/zinc/32/57/95/298325795.db2.gz HEFSJUUSHGQSJD-SIIHOXLZSA-N 1 3 304.434 2.381 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000418191050 298397216 /nfs/dbraw/zinc/39/72/16/298397216.db2.gz XCIGTUZCPVQLEL-YCPHGPKFSA-N 1 3 306.454 2.104 20 0 DEADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000290185851 300573140 /nfs/dbraw/zinc/57/31/40/300573140.db2.gz FSGGMMBYADOOHH-RBSFLKMASA-N 1 3 321.490 2.389 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)NC[C@H](C)C[NH3+])N2CCCC2)cc1 ZINC000417350735 301715053 /nfs/dbraw/zinc/71/50/53/301715053.db2.gz BBSMUWRKQREHDI-NVXWUHKLSA-N 1 3 318.465 2.026 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H](C)C[NH+](C)C)N(C)C ZINC000357288691 302206010 /nfs/dbraw/zinc/20/60/10/302206010.db2.gz SYRYVECVFQLVAG-VYDXJSESSA-N 1 3 320.481 2.236 20 0 DEADHO [NH3+]C1(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCCC1 ZINC000237924560 303355491 /nfs/dbraw/zinc/35/54/91/303355491.db2.gz XEIGIVSUHHYWHR-INIZCTEOSA-N 1 3 301.434 2.211 20 0 DEADHO COc1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1NC(C)=O ZINC000422840122 533699416 /nfs/dbraw/zinc/69/94/16/533699416.db2.gz BBKSAYNNSCUBLC-GJZGRUSLSA-N 1 3 305.422 2.261 20 0 DEADHO CC[NH+](CC)CCCCNC(=O)[C@@H]1CNCc2ccccc21 ZINC000572725330 325972279 /nfs/dbraw/zinc/97/22/79/325972279.db2.gz ICPGKJJXWHRUEJ-QGZVFWFLSA-N 1 3 303.450 2.112 20 0 DEADHO C[C@@H](CNC(=O)[C@@H](C)N1CCC(CC[NH3+])CC1)c1ccccc1 ZINC000576232935 326279008 /nfs/dbraw/zinc/27/90/08/326279008.db2.gz GKFQJNYIHGDFTO-JKSUJKDBSA-N 1 3 317.477 2.356 20 0 DEADHO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1Cl)C1=CCN(C)CC1 ZINC000576745890 326315631 /nfs/dbraw/zinc/31/56/31/326315631.db2.gz CBTGLZQPZRNEGG-HIFRSBDPSA-N 1 3 324.852 2.320 20 0 DEADHO CN(C(=O)C(C)(C)C[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388519660 333319829 /nfs/dbraw/zinc/31/98/29/333319829.db2.gz QDVQLYOTEVTPBK-MRXNPFEDSA-N 1 3 303.450 2.094 20 0 DEADHO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)N)c1 ZINC000582235429 336383582 /nfs/dbraw/zinc/38/35/82/336383582.db2.gz JXNVLCQMUYXIEE-FZGQVQIUSA-N 1 3 304.434 2.141 20 0 DEADHO C[NH+](C)CCOc1cccc(CNC[C@](C)(O)C(F)(F)F)c1 ZINC000582601762 337112124 /nfs/dbraw/zinc/11/21/24/337112124.db2.gz UBRDZFKEBIFUCX-AWEZNQCLSA-N 1 3 320.355 2.030 20 0 DEADHO CN1CCC[C@@H](CNC(=O)CCCC[NH3+])[C@H]1c1cccs1 ZINC000582783819 337160457 /nfs/dbraw/zinc/16/04/57/337160457.db2.gz UTEMXSJDUXSKAE-BBRMVZONSA-N 1 3 309.479 2.376 20 0 DEADHO C[C@H](NC(=O)[C@H](N)C1CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000399156476 337314159 /nfs/dbraw/zinc/31/41/59/337314159.db2.gz BQLRRFPOXSLDPR-BMGDILEWSA-N 1 3 315.461 2.141 20 0 DEADHO C[C@H](NC(=O)[C@H](N)C1CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000399156476 337314160 /nfs/dbraw/zinc/31/41/60/337314160.db2.gz BQLRRFPOXSLDPR-BMGDILEWSA-N 1 3 315.461 2.141 20 0 DEADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc(-n3cncn3)cc2)C1 ZINC000583720465 337317777 /nfs/dbraw/zinc/31/77/77/337317777.db2.gz KIAISUDMYBSRAP-WMZOPIPTSA-N 1 3 311.433 2.183 20 0 DEADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc(-n3cncn3)cc2)C1 ZINC000583720465 337317778 /nfs/dbraw/zinc/31/77/78/337317778.db2.gz KIAISUDMYBSRAP-WMZOPIPTSA-N 1 3 311.433 2.183 20 0 DEADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(-n3cncn3)cc2)C1 ZINC000583720465 337317779 /nfs/dbraw/zinc/31/77/79/337317779.db2.gz KIAISUDMYBSRAP-WMZOPIPTSA-N 1 3 311.433 2.183 20 0 DEADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(-n3cncn3)cc2)C1 ZINC000583720465 337317780 /nfs/dbraw/zinc/31/77/80/337317780.db2.gz KIAISUDMYBSRAP-WMZOPIPTSA-N 1 3 311.433 2.183 20 0 DEADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)COc2cc(C)cc(C)c2)C1 ZINC000584585437 337369349 /nfs/dbraw/zinc/36/93/49/337369349.db2.gz DVDVSIUKZNBZIP-MSOLQXFVSA-N 1 3 320.477 2.365 20 0 DEADHO CC[C@H](CNC(=O)[C@@H](CC)N(C)C)[NH2+]Cc1csc(C)c1 ZINC001378264957 1152261503 /nfs/dbraw/zinc/26/15/03/1152261503.db2.gz UFNFXFKFDROJCJ-HUUCEWRRSA-N 1 3 311.495 2.381 20 0 DEADHO CC[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001397663456 1160388286 /nfs/dbraw/zinc/38/82/86/1160388286.db2.gz LPIVNDYZUGHJCK-JYJNAYRXSA-N 1 3 311.514 2.495 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@]1(C[NH2+]CC2CC2)CCCC[C@@H]1C ZINC001378432779 1152327121 /nfs/dbraw/zinc/32/71/21/1152327121.db2.gz ORISQWUGMVFOJC-MAUKXSAKSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C1C[NH+](CCCC2CCC2)C1 ZINC001378590309 1152386807 /nfs/dbraw/zinc/38/68/07/1152386807.db2.gz VCLQGXPCZZTVNE-OAHLLOKOSA-N 1 3 309.498 2.343 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCOCc1ccccc1 ZINC001330022525 1149035490 /nfs/dbraw/zinc/03/54/90/1149035490.db2.gz URVOPHDYTKCBHM-QGZVFWFLSA-N 1 3 318.465 2.192 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@@H+]1CCCF ZINC001089058744 782141950 /nfs/dbraw/zinc/14/19/50/782141950.db2.gz GUGMGDCVQOEEDC-PBHICJAKSA-N 1 3 321.440 2.300 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@H+]1CCCF ZINC001089058744 782141954 /nfs/dbraw/zinc/14/19/54/782141954.db2.gz GUGMGDCVQOEEDC-PBHICJAKSA-N 1 3 321.440 2.300 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21)N(C)C ZINC001378702978 1152418463 /nfs/dbraw/zinc/41/84/63/1152418463.db2.gz PLCKJZNXBIAUMM-ZJPYXAASSA-N 1 3 321.509 2.201 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CCC3CCCC3)C[C@H]21)N(C)C ZINC001378702978 1152418465 /nfs/dbraw/zinc/41/84/65/1152418465.db2.gz PLCKJZNXBIAUMM-ZJPYXAASSA-N 1 3 321.509 2.201 20 0 DEADHO C[C@H](C[NH2+]CC1CC2(CCC2)C1)N(C)C(=O)[C@H]1CCCN1C ZINC001378747565 1152433801 /nfs/dbraw/zinc/43/38/01/1152433801.db2.gz AVSUKUNEUCHUHX-GDBMZVCRSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCN2C)cs1 ZINC001378748787 1152433960 /nfs/dbraw/zinc/43/39/60/1152433960.db2.gz DSFXCBJNNDJJFG-IUODEOHRSA-N 1 3 309.479 2.087 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H](C)CNC/C(Cl)=C\Cl)[NH+](C)C ZINC001438510837 1180517444 /nfs/dbraw/zinc/51/74/44/1180517444.db2.gz YCIJNWFRIWDTSO-MZGZCWAVSA-N 1 3 324.296 2.234 20 0 DEADHO C[C@H]1CCc2ccccc2N1C(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000443063860 533778569 /nfs/dbraw/zinc/77/85/69/533778569.db2.gz XHTKZDNEZFZEKD-HOTGVXAUSA-N 1 3 315.461 2.415 20 0 DEADHO C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CCOCCN(C)C ZINC000447599308 534003552 /nfs/dbraw/zinc/00/35/52/534003552.db2.gz JXIWRMOIGAYVBE-CQSZACIVSA-N 1 3 304.438 2.052 20 0 DEADHO C[C@@H]1CCNC[C@@H]1[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000422969370 534087157 /nfs/dbraw/zinc/08/71/57/534087157.db2.gz UGWJVRKEGCCONA-BEFAXECRSA-N 1 3 318.461 2.470 20 0 DEADHO C[C@H](CNC(=O)NCC[NH2+]C1CCCCCC1)N(C)C1CC1 ZINC000417538718 534104277 /nfs/dbraw/zinc/10/42/77/534104277.db2.gz DVJATFAYOUAIJF-CQSZACIVSA-N 1 3 310.486 2.081 20 0 DEADHO COc1ccccc1N1CC[C@H](CN[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422849879 534150360 /nfs/dbraw/zinc/15/03/60/534150360.db2.gz MMMDODLOISNNHM-BZUAXINKSA-N 1 3 303.450 2.109 20 0 DEADHO COc1ccccc1N1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2CN)C1 ZINC000422852890 534150980 /nfs/dbraw/zinc/15/09/80/534150980.db2.gz ROBVXROJPCAKKC-OAGGEKHMSA-N 1 3 303.450 2.239 20 0 DEADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@](C)(CO)c1ccccc1 ZINC000423099022 534179829 /nfs/dbraw/zinc/17/98/29/534179829.db2.gz AATPAXSSMNYMRA-PWIZWCRZSA-N 1 3 312.457 2.485 20 0 DEADHO O[C@H](CCc1ccccc1)CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423028717 534425672 /nfs/dbraw/zinc/42/56/72/534425672.db2.gz GYDZHFBEFDHEDZ-YDZRNGNQSA-N 1 3 302.462 2.490 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCN2CCC(C)CC2)C1 ZINC000105127336 519677617 /nfs/dbraw/zinc/67/76/17/519677617.db2.gz LMDWPHQZMJFRAY-QGZVFWFLSA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NCCN2CCC(C)CC2)C1 ZINC000105127336 519677619 /nfs/dbraw/zinc/67/76/19/519677619.db2.gz LMDWPHQZMJFRAY-QGZVFWFLSA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]2C2CCOCC2)CC1 ZINC000337320189 519681672 /nfs/dbraw/zinc/68/16/72/519681672.db2.gz OOPLPRQSJCJCEI-LJQANCHMSA-N 1 3 323.525 2.294 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]2C2CCOCC2)CC1 ZINC000337320189 519681674 /nfs/dbraw/zinc/68/16/74/519681674.db2.gz OOPLPRQSJCJCEI-LJQANCHMSA-N 1 3 323.525 2.294 20 0 DEADHO CC[NH+]1CCC(N(C)C[C@H](O)COCc2ccccc2F)CC1 ZINC000106388425 521564017 /nfs/dbraw/zinc/56/40/17/521564017.db2.gz CRJBYJKPQYHSCY-KRWDZBQOSA-N 1 3 324.440 2.119 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000365999145 521932386 /nfs/dbraw/zinc/93/23/86/521932386.db2.gz JJHKDSIJWHACLD-INIZCTEOSA-N 1 3 315.461 2.306 20 0 DEADHO CC[C@H](N)C(=O)N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000368453917 522323964 /nfs/dbraw/zinc/32/39/64/522323964.db2.gz NIEFOMXZMFGZJH-XIRDDKMYSA-N 1 3 303.450 2.408 20 0 DEADHO CC[C@H](N)C(=O)N(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000368453917 522323972 /nfs/dbraw/zinc/32/39/72/522323972.db2.gz NIEFOMXZMFGZJH-XIRDDKMYSA-N 1 3 303.450 2.408 20 0 DEADHO CN(CC(C)(C)C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000339323798 522538904 /nfs/dbraw/zinc/53/89/04/522538904.db2.gz SQMWPDGKILCFIE-UHFFFAOYSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N(C)CCN2CCCC2)C1 ZINC000112743472 524086635 /nfs/dbraw/zinc/08/66/35/524086635.db2.gz JQNOIDSEIMDCDQ-KRWDZBQOSA-N 1 3 324.513 2.236 20 0 DEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N(C)CCN2CCCC2)C1 ZINC000112743472 524086639 /nfs/dbraw/zinc/08/66/39/524086639.db2.gz JQNOIDSEIMDCDQ-KRWDZBQOSA-N 1 3 324.513 2.236 20 0 DEADHO C[C@H]1CCCN(CCNC(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000337368388 524089100 /nfs/dbraw/zinc/08/91/00/524089100.db2.gz NLXANBGDHWOCIK-INIZCTEOSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@@H]1CCC[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000104816434 524331368 /nfs/dbraw/zinc/33/13/68/524331368.db2.gz XDVGMTVTVWKUBT-PBHICJAKSA-N 1 3 322.497 2.033 20 0 DEADHO Cc1cccc(CN(CC[NH+](C)C)C(=O)CN(C)C(C)C)c1 ZINC000103112978 524381958 /nfs/dbraw/zinc/38/19/58/524381958.db2.gz FFEDGEMRMKQWIV-UHFFFAOYSA-N 1 3 305.466 2.225 20 0 DEADHO C[C@@H](CNC(=O)N(C)C[C@H]1CCCN(C)C1)C[NH+]1CCCCC1 ZINC000115805752 524662456 /nfs/dbraw/zinc/66/24/56/524662456.db2.gz YDAWPHKPIDWPKE-IRXDYDNUSA-N 1 3 324.513 2.092 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C23CCCN2CCC3)C1 ZINC000339253020 525206944 /nfs/dbraw/zinc/20/69/44/525206944.db2.gz ZZQQGVBXXHZSOC-HZPDHXFCSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)(CC[NH3+])NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000422593635 527023814 /nfs/dbraw/zinc/02/38/14/527023814.db2.gz QEXRIQFWMIVFLZ-CYBMUJFWSA-N 1 3 324.494 2.312 20 0 DEADHO CC(C)(CNC(=O)NC[C@@H](N)c1ccccc1)C[NH+]1CCCC1 ZINC000418069620 527132592 /nfs/dbraw/zinc/13/25/92/527132592.db2.gz SIOPMTHAYJZOAV-MRXNPFEDSA-N 1 3 318.465 2.108 20 0 DEADHO C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1(N2CCSCC2)CCCC1 ZINC000422840855 527489413 /nfs/dbraw/zinc/48/94/13/527489413.db2.gz CFQTZIFNTLIHAG-XYPWUTKMSA-N 1 3 309.523 2.221 20 0 DEADHO CC(C)(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)[C@@H](N)c1ccccc1 ZINC000417826966 527528538 /nfs/dbraw/zinc/52/85/38/527528538.db2.gz FBCMBLRKZBSPRN-RYUDHWBXSA-N 1 3 317.355 2.109 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000418448015 527830661 /nfs/dbraw/zinc/83/06/61/527830661.db2.gz IYOSZXSWHOVXBR-RDJZCZTQSA-N 1 3 318.465 2.060 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000418448015 527830665 /nfs/dbraw/zinc/83/06/65/527830665.db2.gz IYOSZXSWHOVXBR-RDJZCZTQSA-N 1 3 318.465 2.060 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418578797 528083119 /nfs/dbraw/zinc/08/31/19/528083119.db2.gz JKKVLNUBPDDVNP-JKSUJKDBSA-N 1 3 310.486 2.164 20 0 DEADHO CC1CC[NH+](Cc2cccc(CNC(=O)C3(N)CCC3)c2)CC1 ZINC000295931824 528255716 /nfs/dbraw/zinc/25/57/16/528255716.db2.gz FRJUZDXSRBXETQ-UHFFFAOYSA-N 1 3 315.461 2.416 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N1CCC([NH3+])CC1)c1ccsc1 ZINC000417002125 528272231 /nfs/dbraw/zinc/27/22/31/528272231.db2.gz FTAOSJXHJTUAAS-OAHLLOKOSA-N 1 3 324.494 2.264 20 0 DEADHO CCC[NH2+]CCNC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000418489569 528484147 /nfs/dbraw/zinc/48/41/47/528484147.db2.gz NSGMNYMWJXXJOD-UHFFFAOYSA-N 1 3 312.502 2.140 20 0 DEADHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H](N)c1ccccc1CC ZINC000418443554 528809470 /nfs/dbraw/zinc/80/94/70/528809470.db2.gz LLWJUEBZFYZIJU-GOEBONIOSA-N 1 3 306.454 2.066 20 0 DEADHO CC(C)N(C)CC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000299301669 528813641 /nfs/dbraw/zinc/81/36/41/528813641.db2.gz BTCCUZKYYJSRMA-UHFFFAOYSA-N 1 3 305.466 2.483 20 0 DEADHO CC(C)N(C)CC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000299301669 528813644 /nfs/dbraw/zinc/81/36/44/528813644.db2.gz BTCCUZKYYJSRMA-UHFFFAOYSA-N 1 3 305.466 2.483 20 0 DEADHO CC(C)N1CCC([N@H+](C)C[C@@H](O)COc2ccccc2)CC1 ZINC000298172057 528990833 /nfs/dbraw/zinc/99/08/33/528990833.db2.gz RBPALRPNKZVNMF-QGZVFWFLSA-N 1 3 306.450 2.231 20 0 DEADHO CC(C)N1CCC([N@@H+](C)C[C@@H](O)COc2ccccc2)CC1 ZINC000298172057 528990840 /nfs/dbraw/zinc/99/08/40/528990840.db2.gz RBPALRPNKZVNMF-QGZVFWFLSA-N 1 3 306.450 2.231 20 0 DEADHO CC(C)N1CC[C@@H](N(C)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000418475353 529060837 /nfs/dbraw/zinc/06/08/37/529060837.db2.gz ZCCKUZJITLDXQC-WMLDXEAASA-N 1 3 318.465 2.330 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C)c1ccco1 ZINC000418168032 529182472 /nfs/dbraw/zinc/18/24/72/529182472.db2.gz NLTPXYBCXVQGHM-ZQDZILKHSA-N 1 3 322.453 2.088 20 0 DEADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448011761 529342655 /nfs/dbraw/zinc/34/26/55/529342655.db2.gz QOBVIQNSCJFSJR-HUUCEWRRSA-N 1 3 312.502 2.136 20 0 DEADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448011761 529342657 /nfs/dbraw/zinc/34/26/57/529342657.db2.gz QOBVIQNSCJFSJR-HUUCEWRRSA-N 1 3 312.502 2.136 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NC[C@H]2NCCc3ccccc32)CC1 ZINC000357262731 535147714 /nfs/dbraw/zinc/14/77/14/535147714.db2.gz ZZUGZZUSDUCCTK-GOSISDBHSA-N 1 3 315.461 2.110 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC000250535995 535174298 /nfs/dbraw/zinc/17/42/98/535174298.db2.gz YVUMAXOJMRMPOV-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC000250535995 535174303 /nfs/dbraw/zinc/17/43/03/535174303.db2.gz YVUMAXOJMRMPOV-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CCN1CCN(CCC[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348264338 535697998 /nfs/dbraw/zinc/69/79/98/535697998.db2.gz UNKYZJFKGDDDQI-RTBURBONSA-N 1 3 301.478 2.407 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)CC2)CC1 ZINC000252495956 536339809 /nfs/dbraw/zinc/33/98/09/536339809.db2.gz CXLGTWVSHHJAFL-PIIMJCKOSA-N 1 3 319.493 2.097 20 0 DEADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000449073191 536352944 /nfs/dbraw/zinc/35/29/44/536352944.db2.gz RGRCHTGKVOPVIG-INIZCTEOSA-N 1 3 305.466 2.389 20 0 DEADHO COc1nccc(CNCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC000449080903 537142841 /nfs/dbraw/zinc/14/28/41/537142841.db2.gz AFSWBWADAUKWPO-HUUCEWRRSA-N 1 3 306.454 2.333 20 0 DEADHO CN(CCc1cccs1)CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001379125892 1152576275 /nfs/dbraw/zinc/57/62/75/1152576275.db2.gz KHEONJZJNTUZBN-OAHLLOKOSA-N 1 3 323.506 2.023 20 0 DEADHO CN(CCc1cccs1)CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001379125892 1152576277 /nfs/dbraw/zinc/57/62/77/1152576277.db2.gz KHEONJZJNTUZBN-OAHLLOKOSA-N 1 3 323.506 2.023 20 0 DEADHO C[C@@H]1C[C@H](NC/C=C/Cl)CN1C(=O)CC1CC[NH+](C)CC1 ZINC001379588476 1152647335 /nfs/dbraw/zinc/64/73/35/1152647335.db2.gz SYDMXRNLKGHNBG-ROAXPNGRSA-N 1 3 313.873 2.050 20 0 DEADHO C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1)C1CC[NH+](C)CC1 ZINC000820404346 607089013 /nfs/dbraw/zinc/08/90/13/607089013.db2.gz SQTKEHLEWPKNOE-OLZOCXBDSA-N 1 3 314.437 2.248 20 0 DEADHO C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1)C1CC[NH+](C)CC1 ZINC000820404346 607089015 /nfs/dbraw/zinc/08/90/15/607089015.db2.gz SQTKEHLEWPKNOE-OLZOCXBDSA-N 1 3 314.437 2.248 20 0 DEADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001381221631 1152958606 /nfs/dbraw/zinc/95/86/06/1152958606.db2.gz DHTJVPIMXRJVSV-RDJZCZTQSA-N 1 3 305.466 2.320 20 0 DEADHO CC[C@H](F)C[N@@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001381979001 1153301230 /nfs/dbraw/zinc/30/12/30/1153301230.db2.gz GUAIRZNGLHNULI-AWEZNQCLSA-N 1 3 313.461 2.142 20 0 DEADHO CCCC[NH+]1CCC(C2(NC(=O)[C@@H](CC)N(C)C)CC2)CC1 ZINC001382591116 1153477482 /nfs/dbraw/zinc/47/74/82/1153477482.db2.gz VXWXKEKSPSHEEJ-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CC1CC(C[N@@H+]2CCC[C@@H](NC(=O)C(C)(C)N3CCCC3)C2)C1 ZINC001008166215 625367179 /nfs/dbraw/zinc/36/71/79/625367179.db2.gz ZEKBNOAWKCTMJH-OFLPRAFFSA-N 1 3 321.509 2.488 20 0 DEADHO CC1CC(C[N@H+]2CCC[C@@H](NC(=O)C(C)(C)N3CCCC3)C2)C1 ZINC001008166215 625367181 /nfs/dbraw/zinc/36/71/81/625367181.db2.gz ZEKBNOAWKCTMJH-OFLPRAFFSA-N 1 3 321.509 2.488 20 0 DEADHO CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]21 ZINC001026425056 625449122 /nfs/dbraw/zinc/44/91/22/625449122.db2.gz BEYOJDIAONAHQP-OKZBNKHCSA-N 1 3 315.461 2.208 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@@H](C[NH2+]CC3CCC3)C2)CCC1 ZINC001024016651 625543393 /nfs/dbraw/zinc/54/33/93/625543393.db2.gz LNXOHYADMQSXOT-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC000969955267 623018417 /nfs/dbraw/zinc/01/84/17/623018417.db2.gz NZISBNQBAXNNJM-FUHWJXTLSA-N 1 3 319.493 2.409 20 0 DEADHO CC(C)C[NH2+][C@@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000969963245 623026179 /nfs/dbraw/zinc/02/61/79/623026179.db2.gz WZERTRXIMOSHPT-PBHICJAKSA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)=CCN1CC([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000970044865 623074292 /nfs/dbraw/zinc/07/42/92/623074292.db2.gz OWPFKHODDIHQIZ-OAHLLOKOSA-N 1 3 305.466 2.018 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCC2CC2)C1 ZINC000970528171 623520756 /nfs/dbraw/zinc/52/07/56/623520756.db2.gz CHPMDGJFTVVSDT-YJBOKZPZSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCC2CC2)C1 ZINC000970528169 623520969 /nfs/dbraw/zinc/52/09/69/623520969.db2.gz CHPMDGJFTVVSDT-MAUKXSAKSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCCF)C1 ZINC000970528734 623521782 /nfs/dbraw/zinc/52/17/82/623521782.db2.gz JGPFDCNLGGXXLH-GOEBONIOSA-N 1 3 313.461 2.045 20 0 DEADHO Cc1cccc(C)c1C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000970719872 623641799 /nfs/dbraw/zinc/64/17/99/623641799.db2.gz MIPKMUYCNDVYIK-QGZVFWFLSA-N 1 3 315.461 2.090 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021670603 623931040 /nfs/dbraw/zinc/93/10/40/623931040.db2.gz MWQXYLJBCTWMRZ-IAGOWNOFSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021670603 623931042 /nfs/dbraw/zinc/93/10/42/623931042.db2.gz MWQXYLJBCTWMRZ-IAGOWNOFSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000050796794 624080515 /nfs/dbraw/zinc/08/05/15/624080515.db2.gz CJZBCHZJSWRZJY-CQSZACIVSA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H]([N@H+](C)CC3CCCC3)C2)CCC1 ZINC000971674765 624499418 /nfs/dbraw/zinc/49/94/18/624499418.db2.gz WQWREQKWMPTGJN-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H]([N@@H+](C)CC3CCCC3)C2)CCC1 ZINC000971674765 624499419 /nfs/dbraw/zinc/49/94/19/624499419.db2.gz WQWREQKWMPTGJN-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO CC1(C)C[NH2+]CC[C@@H](NC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000891857770 624632503 /nfs/dbraw/zinc/63/25/03/624632503.db2.gz FSSDUSHNGCKNNR-ZBFHGGJFSA-N 1 3 322.497 2.081 20 0 DEADHO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@H]2C)C1)c1ccccc1 ZINC001022711603 624863900 /nfs/dbraw/zinc/86/39/00/624863900.db2.gz BZNGZRULYHEAEQ-ATLSCFEFSA-N 1 3 315.461 2.469 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CC3CC(C)(C)C3)C2)C1 ZINC000972332326 624931382 /nfs/dbraw/zinc/93/13/82/624931382.db2.gz BRTAWMJSPWZJTO-DOTOQJQBSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CC3CC(C)(C)C3)C2)C1 ZINC000972332326 624931384 /nfs/dbraw/zinc/93/13/84/624931384.db2.gz BRTAWMJSPWZJTO-DOTOQJQBSA-N 1 3 321.509 2.297 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](NCc3ccccc3Cl)C2)C1 ZINC001023084227 625151622 /nfs/dbraw/zinc/15/16/22/625151622.db2.gz KTPIVFCGZWDIHE-SOUVJXGZSA-N 1 3 321.852 2.029 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](NCc3ccccc3Cl)C2)C1 ZINC001023084227 625151625 /nfs/dbraw/zinc/15/16/25/625151625.db2.gz KTPIVFCGZWDIHE-SOUVJXGZSA-N 1 3 321.852 2.029 20 0 DEADHO C[C@@H]1NCCC[C@@H]1[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000925533223 625232937 /nfs/dbraw/zinc/23/29/37/625232937.db2.gz ZASAVHVADUDHPM-LEWSCRJBSA-N 1 3 318.339 2.349 20 0 DEADHO CC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccccc1CN(C)C ZINC001025167352 625242217 /nfs/dbraw/zinc/24/22/17/625242217.db2.gz GSZPKIMOEXBIBT-INIZCTEOSA-N 1 3 303.450 2.352 20 0 DEADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CCC4CC4)[C@H]3C2)CCC1 ZINC001026282362 625257833 /nfs/dbraw/zinc/25/78/33/625257833.db2.gz RVWBMAMHJCUVBY-ULQDDVLXSA-N 1 3 319.493 2.097 20 0 DEADHO F[C@H]1CC2(CC[C@@H]1[NH2+]CCCN1CCCCC1)OCCO2 ZINC000892461836 625722710 /nfs/dbraw/zinc/72/27/10/625722710.db2.gz JUDQJZVAZKUOKA-GJZGRUSLSA-N 1 3 300.418 2.086 20 0 DEADHO C[C@H](c1ccccc1)[C@@H](O)CN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000931315661 625743815 /nfs/dbraw/zinc/74/38/15/625743815.db2.gz YZQWMPJWZRICKA-LULLPPNCSA-N 1 3 302.462 2.425 20 0 DEADHO C[C@H](c1ccccc1)[C@@H](O)CN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000931315661 625743821 /nfs/dbraw/zinc/74/38/21/625743821.db2.gz YZQWMPJWZRICKA-LULLPPNCSA-N 1 3 302.462 2.425 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CC1 ZINC001024437585 625774738 /nfs/dbraw/zinc/77/47/38/625774738.db2.gz UJGOXRUCKFMGGZ-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CC1 ZINC001024437585 625774744 /nfs/dbraw/zinc/77/47/44/625774744.db2.gz UJGOXRUCKFMGGZ-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)c1ccccc1 ZINC001019775050 625831612 /nfs/dbraw/zinc/83/16/12/625831612.db2.gz UNYSIMMQZNRFEV-WBVHZDCISA-N 1 3 301.434 2.034 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](C(C)C)C[C@H]21 ZINC000978954249 634463789 /nfs/dbraw/zinc/46/37/89/634463789.db2.gz WEVBGYXFPPQLNL-FJIDUMEYSA-N 1 3 321.509 2.343 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](C(C)C)C[C@H]21 ZINC000978954249 634463790 /nfs/dbraw/zinc/46/37/90/634463790.db2.gz WEVBGYXFPPQLNL-FJIDUMEYSA-N 1 3 321.509 2.343 20 0 DEADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C(C)(C)CO ZINC000926694940 625962592 /nfs/dbraw/zinc/96/25/92/625962592.db2.gz WAXVLENGUDBEIJ-OAHLLOKOSA-N 1 3 305.466 2.290 20 0 DEADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]CC2CCCCC2)C1 ZINC000999834133 634692117 /nfs/dbraw/zinc/69/21/17/634692117.db2.gz SJBLYHQSFILQAB-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO CC[NH+]1CCC(C2(NC(=O)[C@H]3CCCN3C(C)C)CC2)CC1 ZINC001000148162 634769465 /nfs/dbraw/zinc/76/94/65/634769465.db2.gz CITPWGNIOPRLME-MRXNPFEDSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001000197594 634785659 /nfs/dbraw/zinc/78/56/59/634785659.db2.gz ITEGWTAULTVJOT-SJLPKXTDSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001000202087 634788745 /nfs/dbraw/zinc/78/87/45/634788745.db2.gz TURHQSSITGXDHS-WBVHZDCISA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1C[C@H]([NH2+]CCC2CC2)C(C)(C)C1 ZINC000996300388 633232038 /nfs/dbraw/zinc/23/20/38/633232038.db2.gz LGAOOGQEOIYZHD-HOCLYGCPSA-N 1 3 307.482 2.097 20 0 DEADHO CC[NH2+][C@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1(C)C ZINC000996300022 633232385 /nfs/dbraw/zinc/23/23/85/633232385.db2.gz IHXYMMDHPMNHQM-GUYCJALGSA-N 1 3 313.461 2.045 20 0 DEADHO CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2CC(C)C)C(C)(C)C1 ZINC000974756422 633290684 /nfs/dbraw/zinc/29/06/84/633290684.db2.gz BYRFJZLFJSGOKS-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2CC(C)C)C(C)(C)C1 ZINC000974756422 633290688 /nfs/dbraw/zinc/29/06/88/633290688.db2.gz BYRFJZLFJSGOKS-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(C)c2)C1)N(C)C ZINC001027068845 633383779 /nfs/dbraw/zinc/38/37/79/633383779.db2.gz FXDGNMLIJPZQIZ-ROUUACIJSA-N 1 3 317.477 2.273 20 0 DEADHO CC(C)[NH2+]C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000997003612 633560908 /nfs/dbraw/zinc/56/09/08/633560908.db2.gz COQUXIWZUVANNX-QGZVFWFLSA-N 1 3 313.461 2.188 20 0 DEADHO CC[C@@H](C(=O)N1CCC([NH2+]CC2CC(C)(C)C2)CC1)N(C)C ZINC000997014658 633561757 /nfs/dbraw/zinc/56/17/57/633561757.db2.gz IXPBJWVFJNPROC-INIZCTEOSA-N 1 3 309.498 2.343 20 0 DEADHO COCCOc1ccc(CNCC2CC[NH+](C3CC3)CC2)o1 ZINC000894067508 636103330 /nfs/dbraw/zinc/10/33/30/636103330.db2.gz KVRAXDBPPBBCGK-UHFFFAOYSA-N 1 3 308.422 2.269 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC2CCCCC2)CC1 ZINC000997611040 633899917 /nfs/dbraw/zinc/89/99/17/633899917.db2.gz CGGVVSJRYKRSNI-SFHVURJKSA-N 1 3 321.509 2.489 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)N[C@H]1C[N@H+](CC)CC1(C)C ZINC000977455352 633994867 /nfs/dbraw/zinc/99/48/67/633994867.db2.gz YPAKHYYCSAIQLO-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)N[C@H]1C[N@@H+](CC)CC1(C)C ZINC000977455352 633994868 /nfs/dbraw/zinc/99/48/68/633994868.db2.gz YPAKHYYCSAIQLO-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]1C[C@@H](C[NH2+]CC2CCCC2)CN1C(=O)CN(C)C1CCC1 ZINC000980607592 635060449 /nfs/dbraw/zinc/06/04/49/635060449.db2.gz RYPXBMSDRDLGGO-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1C[C@H](C[NH2+]CC2CCC2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000980700378 635098283 /nfs/dbraw/zinc/09/82/83/635098283.db2.gz NAFYPXWIKLDOLV-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCC1 ZINC001027985621 635168439 /nfs/dbraw/zinc/16/84/39/635168439.db2.gz LZBNVBPDMOYFMI-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCC1 ZINC001027985621 635168443 /nfs/dbraw/zinc/16/84/43/635168443.db2.gz LZBNVBPDMOYFMI-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CCCC[NH+]1CCC(CNC(=O)[C@H]2CCCN2CCC)CC1 ZINC001001467260 635502029 /nfs/dbraw/zinc/50/20/29/635502029.db2.gz LEFXDNRGQXULOV-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000981540796 635523336 /nfs/dbraw/zinc/52/33/36/635523336.db2.gz GUXINENFLVAOGJ-HZPDHXFCSA-N 1 3 303.450 2.399 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC2(C1)CCC[N@H+](CCC1CC1)C2)C1CC1 ZINC000981812510 635666447 /nfs/dbraw/zinc/66/64/47/635666447.db2.gz QHZHXSOWDHUGRR-QGZVFWFLSA-N 1 3 319.493 2.051 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](CCC1CC1)C2)C1CC1 ZINC000981812510 635666452 /nfs/dbraw/zinc/66/64/52/635666452.db2.gz QHZHXSOWDHUGRR-QGZVFWFLSA-N 1 3 319.493 2.051 20 0 DEADHO CC(C)=CC[N@H+]1CCCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000982012297 635809456 /nfs/dbraw/zinc/80/94/56/635809456.db2.gz UZRDWRFPWUIEAB-KRWDZBQOSA-N 1 3 319.493 2.361 20 0 DEADHO CC(C)=CC[N@@H+]1CCCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000982012297 635809458 /nfs/dbraw/zinc/80/94/58/635809458.db2.gz UZRDWRFPWUIEAB-KRWDZBQOSA-N 1 3 319.493 2.361 20 0 DEADHO C[C@H]1CN(CCC[NH2+]Cc2ccnn2C2CCC2)CCCO1 ZINC000922064809 635838995 /nfs/dbraw/zinc/83/89/95/635838995.db2.gz QHKOJTWAHGYWOF-HNNXBMFYSA-N 1 3 306.454 2.199 20 0 DEADHO CC1CC(C[NH+]2CCC(NC(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001003628128 636007724 /nfs/dbraw/zinc/00/77/24/636007724.db2.gz LWEZRMRENMDUGM-PCKAHOCUSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](CCC3CCCC3)CC2)C1 ZINC001003632447 636008689 /nfs/dbraw/zinc/00/86/89/636008689.db2.gz ZWPNNKKQZJFZOJ-MRXNPFEDSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC1CC[NH+](CCCF)CC1 ZINC001003738178 636042809 /nfs/dbraw/zinc/04/28/09/636042809.db2.gz ZLBRCPRRNINPRT-INIZCTEOSA-N 1 3 313.461 2.190 20 0 DEADHO CCc1ncc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)s1 ZINC000922388285 636141880 /nfs/dbraw/zinc/14/18/80/636141880.db2.gz OPDVPSHAGNODJM-SRABZTEZSA-N 1 3 323.506 2.275 20 0 DEADHO CCc1ncc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)s1 ZINC000922388285 636141884 /nfs/dbraw/zinc/14/18/84/636141884.db2.gz OPDVPSHAGNODJM-SRABZTEZSA-N 1 3 323.506 2.275 20 0 DEADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cc(C)ns3)C2)[C@@H]1C(C)C ZINC000922396529 636157964 /nfs/dbraw/zinc/15/79/64/636157964.db2.gz XNUXFXKYGHKEFZ-NCOADZHNSA-N 1 3 323.506 2.411 20 0 DEADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cc(C)ns3)C2)[C@@H]1C(C)C ZINC000922396529 636157968 /nfs/dbraw/zinc/15/79/68/636157968.db2.gz XNUXFXKYGHKEFZ-NCOADZHNSA-N 1 3 323.506 2.411 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001028537132 636329024 /nfs/dbraw/zinc/32/90/24/636329024.db2.gz HSXXYGLZXBVJIB-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001028537132 636329025 /nfs/dbraw/zinc/32/90/25/636329025.db2.gz HSXXYGLZXBVJIB-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO CCO[C@H](C[NH2+][C@@H]1CCN([C@H](C)c2ccccc2)C1)CN(C)C ZINC000922758598 636380806 /nfs/dbraw/zinc/38/08/06/636380806.db2.gz XWGWJHFTBBIZDC-BHIYHBOVSA-N 1 3 319.493 2.378 20 0 DEADHO F[C@@H]1CC2(CC[C@H]1[NH2+]C1CC(N3CCCCC3)C1)OCCO2 ZINC000894170982 636381942 /nfs/dbraw/zinc/38/19/42/636381942.db2.gz CGJDGPQKGWSOMI-QDIHITRGSA-N 1 3 312.429 2.227 20 0 DEADHO C[N@@H+]1CC[C@@H](NC[C@H]2CCN2C(=O)OC(C)(C)C)CC1(C)C ZINC000922790268 636401691 /nfs/dbraw/zinc/40/16/91/636401691.db2.gz ADSIHJDIKKHHCE-ZIAGYGMSSA-N 1 3 311.470 2.458 20 0 DEADHO C[N@H+]1CC[C@@H](NC[C@H]2CCN2C(=O)OC(C)(C)C)CC1(C)C ZINC000922790268 636401693 /nfs/dbraw/zinc/40/16/93/636401693.db2.gz ADSIHJDIKKHHCE-ZIAGYGMSSA-N 1 3 311.470 2.458 20 0 DEADHO CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001004460265 636459347 /nfs/dbraw/zinc/45/93/47/636459347.db2.gz YONFSVSERJRVDD-IRXDYDNUSA-N 1 3 307.482 2.050 20 0 DEADHO CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001004460265 636459349 /nfs/dbraw/zinc/45/93/49/636459349.db2.gz YONFSVSERJRVDD-IRXDYDNUSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946777005 636643984 /nfs/dbraw/zinc/64/39/84/636643984.db2.gz YNFQAQNHTSPPKJ-CALCHBBNSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946777005 636643985 /nfs/dbraw/zinc/64/39/85/636643985.db2.gz YNFQAQNHTSPPKJ-CALCHBBNSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779227 636646791 /nfs/dbraw/zinc/64/67/91/636646791.db2.gz KJRAPPFBYQFPRD-OKZBNKHCSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779227 636646794 /nfs/dbraw/zinc/64/67/94/636646794.db2.gz KJRAPPFBYQFPRD-OKZBNKHCSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001028844709 636784530 /nfs/dbraw/zinc/78/45/30/636784530.db2.gz ARVKHZTZJISXBV-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001028844709 636784535 /nfs/dbraw/zinc/78/45/35/636784535.db2.gz ARVKHZTZJISXBV-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001028918561 636851936 /nfs/dbraw/zinc/85/19/36/636851936.db2.gz IMWPGKOZOAECHI-ROUUACIJSA-N 1 3 321.509 2.489 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001028918561 636851947 /nfs/dbraw/zinc/85/19/47/636851947.db2.gz IMWPGKOZOAECHI-ROUUACIJSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1cn2c(n1)CCCC2 ZINC000925021936 636882831 /nfs/dbraw/zinc/88/28/31/636882831.db2.gz CHTOAJCAAIQMCQ-HOTGVXAUSA-N 1 3 320.481 2.107 20 0 DEADHO C[C@H](NCCCC[N@H+]1CCC[C@H]1CO)c1cn2c(n1)CCCC2 ZINC000925021936 636882836 /nfs/dbraw/zinc/88/28/36/636882836.db2.gz CHTOAJCAAIQMCQ-HOTGVXAUSA-N 1 3 320.481 2.107 20 0 DEADHO NC[C@H]1CCC[N@@H+]1C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000923293137 637094966 /nfs/dbraw/zinc/09/49/66/637094966.db2.gz OAUNWEFCSNLOKJ-ZIAGYGMSSA-N 1 3 302.340 2.032 20 0 DEADHO NC[C@H]1CCC[N@H+]1C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000923293137 637094969 /nfs/dbraw/zinc/09/49/69/637094969.db2.gz OAUNWEFCSNLOKJ-ZIAGYGMSSA-N 1 3 302.340 2.032 20 0 DEADHO CN(C[C@@H](O)CO[C@@H]1CCCc2ccccc21)CC(C)(C)C[NH3+] ZINC000923295193 637097005 /nfs/dbraw/zinc/09/70/05/637097005.db2.gz WHCFDLYCPYRWOR-SJLPKXTDSA-N 1 3 320.477 2.358 20 0 DEADHO COc1nccc(CNCC2(SC)CC[NH+](C)CC2)c1F ZINC000894544653 637098873 /nfs/dbraw/zinc/09/88/73/637098873.db2.gz IILRBKAUGGGRIV-UHFFFAOYSA-N 1 3 313.442 2.146 20 0 DEADHO c1ccc2c(c1)OC[C@@H](CN1CCC([C@@H]3CC[NH2+]C3)CC1)O2 ZINC000923358047 637133139 /nfs/dbraw/zinc/13/31/39/637133139.db2.gz WKXZXTFVVOORNK-HZPDHXFCSA-N 1 3 302.418 2.148 20 0 DEADHO Cc1ccccc1OC[C@H](O)CN[C@@H](C[NH3+])C1CCCCC1 ZINC000923371599 637142024 /nfs/dbraw/zinc/14/20/24/637142024.db2.gz BXVIKOHJMDNPKX-SJORKVTESA-N 1 3 306.450 2.232 20 0 DEADHO Cc1cccc(OC[C@@H](O)CN[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000923372048 637142247 /nfs/dbraw/zinc/14/22/47/637142247.db2.gz FCUANURAXMQAEW-WMZOPIPTSA-N 1 3 306.450 2.232 20 0 DEADHO [NH3+]C[C@@H](NC[C@@H](O)COc1ccc(F)cc1)C1CCCCC1 ZINC000923373760 637144565 /nfs/dbraw/zinc/14/45/65/637144565.db2.gz PPIQRAOFALUTBX-NVXWUHKLSA-N 1 3 310.413 2.063 20 0 DEADHO Cc1cccc(OC[C@H](O)CN2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000923385511 637154196 /nfs/dbraw/zinc/15/41/96/637154196.db2.gz CGEHMMDONPBDAX-NUJGCVRESA-N 1 3 306.450 2.184 20 0 DEADHO C[C@@H]1CCCN(C[C@@H](O)COc2ccccc2F)[C@H]1CC[NH3+] ZINC000923389362 637155978 /nfs/dbraw/zinc/15/59/78/637155978.db2.gz WUNVPJWYPPIYMC-FMKPAKJESA-N 1 3 310.413 2.015 20 0 DEADHO Cc1ccccc1OC[C@@H](O)CN1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000923414963 637168136 /nfs/dbraw/zinc/16/81/36/637168136.db2.gz NZVYORWURSCLRV-LPHOPBHVSA-N 1 3 320.477 2.432 20 0 DEADHO COCCN(Cc1ccc(C)c(C)c1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923427849 637172857 /nfs/dbraw/zinc/17/28/57/637172857.db2.gz KRLQBAPORKNYQC-GOSISDBHSA-N 1 3 318.461 2.130 20 0 DEADHO CC(C)[C@@H](NC(=O)CN1CC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000923488002 637200408 /nfs/dbraw/zinc/20/04/08/637200408.db2.gz OWYNJTMJLVPXRZ-CRAIPNDOSA-N 1 3 303.450 2.171 20 0 DEADHO [NH3+]CC[C@@H]1CCN([C@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000923482288 637203858 /nfs/dbraw/zinc/20/38/58/637203858.db2.gz PVDFAHCWIWQDCP-DOMZBBRYSA-N 1 3 307.825 2.116 20 0 DEADHO Cc1ccc([C@H](NC(=O)CN2CC[C@H](CC[NH3+])C2)C2CC2)cc1 ZINC000923484915 637205276 /nfs/dbraw/zinc/20/52/76/637205276.db2.gz CUHXCLLGLWUTJK-KXBFYZLASA-N 1 3 315.461 2.233 20 0 DEADHO CC[C@@H](C(=O)Nc1ccc(OC)cc1)N1CC[C@@H](CC[NH3+])C1 ZINC000923489524 637208816 /nfs/dbraw/zinc/20/88/16/637208816.db2.gz YJBIQOZDQDVHOQ-CJNGLKHVSA-N 1 3 305.422 2.083 20 0 DEADHO CCc1ccc([C@H](C)NC(=O)CN2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923503938 637219086 /nfs/dbraw/zinc/21/90/86/637219086.db2.gz MUEFFKGWPLINRR-MPGHIAIKSA-N 1 3 317.477 2.343 20 0 DEADHO [NH3+][C@@H]1CC[C@H](CN2C[C@H](C[C@H]3COCCN3)c3ccccc32)C1 ZINC000923540754 637238348 /nfs/dbraw/zinc/23/83/48/637238348.db2.gz NBUAIJGYIXIIBG-NXOAAHMSSA-N 1 3 315.461 2.096 20 0 DEADHO OC[C@@H]1c2ccccc2OCCN1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923553578 637243978 /nfs/dbraw/zinc/24/39/78/637243978.db2.gz KPRDEADATDDQHZ-YCXXCVGLSA-N 1 3 316.445 2.335 20 0 DEADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCN(C)[C@H]2C)cc1 ZINC000928444537 637248427 /nfs/dbraw/zinc/24/84/27/637248427.db2.gz UCOQGBFRRCJVAN-YOEHRIQHSA-N 1 3 303.450 2.351 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1)N(C)C ZINC001029347352 637632573 /nfs/dbraw/zinc/63/25/73/637632573.db2.gz ROMYLDXBKPETLO-BBWFWOEESA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1)N(C)C ZINC001029347352 637632575 /nfs/dbraw/zinc/63/25/75/637632575.db2.gz ROMYLDXBKPETLO-BBWFWOEESA-N 1 3 307.482 2.048 20 0 DEADHO C[C@@H]1C[C@H](CN2CCOC[C@@H]2C[C@H](O)c2ccccc2)CC[NH2+]1 ZINC000841009693 650405308 /nfs/dbraw/zinc/40/53/08/650405308.db2.gz GXWCBAWIOZUSII-FPAYPSAMSA-N 1 3 318.461 2.199 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@H](NC[C@H]2CCCC[NH2+]2)C1 ZINC000841033607 650410184 /nfs/dbraw/zinc/41/01/84/650410184.db2.gz XGICVJFWKHHAOY-FRRDWIJNSA-N 1 3 304.381 2.085 20 0 DEADHO CCC[NH2+]CCN[C@@H]1CCC[C@H](C(F)(F)C(=O)OCC)C1 ZINC000841046846 650413704 /nfs/dbraw/zinc/41/37/04/650413704.db2.gz PDVRAHHEIRCBLD-QWHCGFSZSA-N 1 3 306.397 2.333 20 0 DEADHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@@H](O)c2ccc(F)cc2)C1 ZINC000746676425 638367821 /nfs/dbraw/zinc/36/78/21/638367821.db2.gz VRAXNRPIOGOPTJ-QZTJIDSGSA-N 1 3 324.440 2.292 20 0 DEADHO Cn1nc(C(F)(F)F)c(CN[C@H]2CC[C@H](C[NH3+])C2)c1Cl ZINC000841084808 650425994 /nfs/dbraw/zinc/42/59/94/650425994.db2.gz PZHIEEKGRJVRRL-YUMQZZPRSA-N 1 3 310.751 2.309 20 0 DEADHO O=C([C@@H]1CCC[C@H]2CCC[N@@H+]21)N1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001029510228 639011948 /nfs/dbraw/zinc/01/19/48/639011948.db2.gz RGLVFKMFNJRWJK-FJIDUMEYSA-N 1 3 317.477 2.089 20 0 DEADHO O=C([C@@H]1CCC[C@H]2CCC[N@H+]21)N1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001029510228 639011955 /nfs/dbraw/zinc/01/19/55/639011955.db2.gz RGLVFKMFNJRWJK-FJIDUMEYSA-N 1 3 317.477 2.089 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CCC2)C1 ZINC000985147925 639080254 /nfs/dbraw/zinc/08/02/54/639080254.db2.gz FOSJJMRRDPEZGE-ZHZCFWQKSA-N 1 3 307.482 2.144 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CC(C)(C)C2)C1 ZINC001029674422 639412067 /nfs/dbraw/zinc/41/20/67/639412067.db2.gz GGCLPVPDZLXCCZ-NVXWUHKLSA-N 1 3 321.509 2.297 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001029674422 639412072 /nfs/dbraw/zinc/41/20/72/639412072.db2.gz GGCLPVPDZLXCCZ-NVXWUHKLSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C[N@H+](C)CC2CCC2)C1 ZINC001029842768 639538583 /nfs/dbraw/zinc/53/85/83/639538583.db2.gz WITJPTMYKAZSNH-WBVHZDCISA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CCC2)C1 ZINC001029842768 639538591 /nfs/dbraw/zinc/53/85/91/639538591.db2.gz WITJPTMYKAZSNH-WBVHZDCISA-N 1 3 307.482 2.051 20 0 DEADHO CCC1(C[NH2+]C2CC3CCC(C2)N3CCOC)CCOCC1 ZINC000925196394 639565686 /nfs/dbraw/zinc/56/56/86/639565686.db2.gz FQPLQBYMTOVXMC-ALOPSCKCSA-N 1 3 310.482 2.425 20 0 DEADHO Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@H]2C)c1 ZINC000987515841 640207607 /nfs/dbraw/zinc/20/76/07/640207607.db2.gz CKSSQCFFMNZVDO-FUHWJXTLSA-N 1 3 315.461 2.170 20 0 DEADHO C[C@@H]1[C@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)CN1CCCC1 ZINC000987531323 640214148 /nfs/dbraw/zinc/21/41/48/640214148.db2.gz MDRZTYITJZCNOL-NVXWUHKLSA-N 1 3 319.493 2.242 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)NCCC[C@H]2CCC[NH2+]2)cc(Cl)n1 ZINC000841853216 650579993 /nfs/dbraw/zinc/57/99/93/650579993.db2.gz YHZLBOGFFCNWLI-KGLIPLIRSA-N 1 3 324.856 2.082 20 0 DEADHO CCCCCCN(C)CC(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000765270947 640759098 /nfs/dbraw/zinc/75/90/98/640759098.db2.gz RCVBBYUYOCRIAM-HUUCEWRRSA-N 1 3 315.527 2.003 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](O)c2ccc(C)o2)[C@@H](C)C1 ZINC000766138062 640852341 /nfs/dbraw/zinc/85/23/41/640852341.db2.gz GBEAJZZZNUTJMI-BHYGNILZSA-N 1 3 324.465 2.348 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001014395324 641139760 /nfs/dbraw/zinc/13/97/60/641139760.db2.gz IQABITQBCWSGFV-IRXDYDNUSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001014395324 641139764 /nfs/dbraw/zinc/13/97/64/641139764.db2.gz IQABITQBCWSGFV-IRXDYDNUSA-N 1 3 321.509 2.486 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)CN1C(=O)CN1CCCC1 ZINC000989798990 641236503 /nfs/dbraw/zinc/23/65/03/641236503.db2.gz ILAOAZXEHJINBS-WMLDXEAASA-N 1 3 319.424 2.001 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC[C@@H]2C)C1 ZINC000841064859 641543157 /nfs/dbraw/zinc/54/31/57/641543157.db2.gz VIBXPGFQLHDLIW-RFQIPJPRSA-N 1 3 318.408 2.331 20 0 DEADHO CC(C)CCN1CCC([NH2+]C[C@H](O)COCC(C)C)CC1 ZINC000924760004 642122614 /nfs/dbraw/zinc/12/26/14/642122614.db2.gz JSHPROJCFXZHOQ-KRWDZBQOSA-N 1 3 300.487 2.120 20 0 DEADHO CN(C)[C@H](CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)c1ccccc1 ZINC000899941647 642217686 /nfs/dbraw/zinc/21/76/86/642217686.db2.gz KCXPZFUMPRRTJM-FGTMMUONSA-N 1 3 315.461 2.422 20 0 DEADHO CN(C)[C@H](CNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)c1ccccc1 ZINC000899941647 642217689 /nfs/dbraw/zinc/21/76/89/642217689.db2.gz KCXPZFUMPRRTJM-FGTMMUONSA-N 1 3 315.461 2.422 20 0 DEADHO O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CC[C@H](N2CCCCC2)C1 ZINC000900626936 642426894 /nfs/dbraw/zinc/42/68/94/642426894.db2.gz XMOBVAMHQFZNJO-ULQDDVLXSA-N 1 3 305.466 2.090 20 0 DEADHO O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1CC[C@H](N2CCCCC2)C1 ZINC000900626936 642426898 /nfs/dbraw/zinc/42/68/98/642426898.db2.gz XMOBVAMHQFZNJO-ULQDDVLXSA-N 1 3 305.466 2.090 20 0 DEADHO C[C@H]1CC[N@H+](CCNC(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000900912128 642514563 /nfs/dbraw/zinc/51/45/63/642514563.db2.gz IYZIUVSGNYTTLP-AWEZNQCLSA-N 1 3 314.433 2.362 20 0 DEADHO C[C@H]1CC[N@@H+](CCNC(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000900912128 642514567 /nfs/dbraw/zinc/51/45/67/642514567.db2.gz IYZIUVSGNYTTLP-AWEZNQCLSA-N 1 3 314.433 2.362 20 0 DEADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccccc2NC)CC1 ZINC000902194347 642953245 /nfs/dbraw/zinc/95/32/45/642953245.db2.gz HQSGNYAVPBLWCW-MRXNPFEDSA-N 1 3 304.482 2.092 20 0 DEADHO CC1(C)C[NH2+]CC[C@H](NC[C@H]2CCCN2CC(F)(F)F)C1 ZINC000902404061 643030745 /nfs/dbraw/zinc/03/07/45/643030745.db2.gz ITFAZQCEWDOHKL-QWHCGFSZSA-N 1 3 307.404 2.381 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCOC1CCSCC1 ZINC000902521278 643063133 /nfs/dbraw/zinc/06/31/33/643063133.db2.gz QXOGHCZYPUOADA-LBPRGKRZSA-N 1 3 309.479 2.412 20 0 DEADHO C[C@@H]1CN([C@H](C(=O)NC2CC2)c2ccc(F)cc2)C[C@H]1CC[NH3+] ZINC000903495924 643371916 /nfs/dbraw/zinc/37/19/16/643371916.db2.gz CGOVTNJIZOPTAN-MRRJBJDNSA-N 1 3 319.424 2.062 20 0 DEADHO Fc1cccc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1F ZINC000903510891 643373565 /nfs/dbraw/zinc/37/35/65/643373565.db2.gz SZNXDHQIICLSQX-IYBDPMFKSA-N 1 3 321.415 2.365 20 0 DEADHO CCOc1ccc(CN(C)C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903718322 643438002 /nfs/dbraw/zinc/43/80/02/643438002.db2.gz KRXPCUUKLUYGON-QZTJIDSGSA-N 1 3 304.434 2.286 20 0 DEADHO Cc1ccc(OCCN(C)C[C@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903717432 643438338 /nfs/dbraw/zinc/43/83/38/643438338.db2.gz AHUUDDTXTZJXAZ-MSOLQXFVSA-N 1 3 304.434 2.074 20 0 DEADHO FC(F)(F)C1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903723864 643440111 /nfs/dbraw/zinc/44/01/11/643440111.db2.gz JCWXFNSQGWKNSP-CYBMUJFWSA-N 1 3 306.372 2.419 20 0 DEADHO CC(C)N(C)C(=O)[C@H](C)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794485 643458467 /nfs/dbraw/zinc/45/84/67/643458467.db2.gz XBCZZUNRWTVOPW-INIZCTEOSA-N 1 3 317.477 2.234 20 0 DEADHO Cc1c(C[C@H](C[NH3+])CN2CCS[C@H]3CCCC[C@@H]32)cnn1C ZINC000903899669 643501055 /nfs/dbraw/zinc/50/10/55/643501055.db2.gz VZRSFWGRCJIXSH-PVAVHDDUSA-N 1 3 322.522 2.206 20 0 DEADHO OCc1ccc(CNCc2cccc3c2CC[NH2+]C3)cc1F ZINC000903920742 643507906 /nfs/dbraw/zinc/50/79/06/643507906.db2.gz LIMZUUZHCONKNO-UHFFFAOYSA-N 1 3 300.377 2.254 20 0 DEADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCCC[C@@H]1C1CCC1 ZINC000903931444 643513537 /nfs/dbraw/zinc/51/35/37/643513537.db2.gz DYJCZKUWGCWTAF-DOTOQJQBSA-N 1 3 303.454 2.357 20 0 DEADHO C[C@@H](c1cccnc1)N1CCN(CC2CC[NH+](C)CC2)CC1 ZINC000788481808 643615136 /nfs/dbraw/zinc/61/51/36/643615136.db2.gz UTTQYNAHRBOAIY-INIZCTEOSA-N 1 3 302.466 2.102 20 0 DEADHO CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904349027 643643200 /nfs/dbraw/zinc/64/32/00/643643200.db2.gz ZVISZZJQFYOSNZ-ZIFCJYIRSA-N 1 3 316.445 2.364 20 0 DEADHO C[C@@H]1CN(Cc2ccnn2-c2ccc(F)cc2)CC[C@@H]1C[NH3+] ZINC000904409723 643661360 /nfs/dbraw/zinc/66/13/60/643661360.db2.gz HCZPGGZFAAHXAK-ZIAGYGMSSA-N 1 3 302.397 2.428 20 0 DEADHO CC(C)([NH3+])c1ccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1 ZINC000904583189 643696042 /nfs/dbraw/zinc/69/60/42/643696042.db2.gz VOBMJNXDPTYMII-MRXNPFEDSA-N 1 3 314.433 2.358 20 0 DEADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](O)CC2(CO)CCCC2)C1 ZINC000905070352 643787327 /nfs/dbraw/zinc/78/73/27/643787327.db2.gz KCMZJWMNQJQHCU-SJORKVTESA-N 1 3 312.498 2.000 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@@H](O)CC2(CO)CCCC2)C1 ZINC000905070352 643787329 /nfs/dbraw/zinc/78/73/29/643787329.db2.gz KCMZJWMNQJQHCU-SJORKVTESA-N 1 3 312.498 2.000 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC[C@@H](O)CC2(CO)CCCC2)C1 ZINC000905070352 643787333 /nfs/dbraw/zinc/78/73/33/643787333.db2.gz KCMZJWMNQJQHCU-SJORKVTESA-N 1 3 312.498 2.000 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@@H](O)C[C@H](O)c2ccccc2)C1 ZINC000905069417 643787352 /nfs/dbraw/zinc/78/73/52/643787352.db2.gz CWSGOMSOPMSWJV-NEWSRXKRSA-N 1 3 320.477 2.181 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC[C@@H](O)C[C@H](O)c2ccccc2)C1 ZINC000905069417 643787354 /nfs/dbraw/zinc/78/73/54/643787354.db2.gz CWSGOMSOPMSWJV-NEWSRXKRSA-N 1 3 320.477 2.181 20 0 DEADHO O[C@H](CCC1(O)CCC1)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000905144631 643811303 /nfs/dbraw/zinc/81/13/03/643811303.db2.gz GESPNAILZIRIAD-GOSISDBHSA-N 1 3 324.509 2.429 20 0 DEADHO CCCCCCNC(=O)[C@H]1CCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000843060777 650881186 /nfs/dbraw/zinc/88/11/86/650881186.db2.gz PVLMRLVHGKLYDA-FUHWJXTLSA-N 1 3 309.498 2.395 20 0 DEADHO C[C@H](O)c1ncc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000843126056 650901440 /nfs/dbraw/zinc/90/14/40/650901440.db2.gz FOHQAKTUHSIVPK-IHRRRGAJSA-N 1 3 309.479 2.408 20 0 DEADHO CN(C)C[C@@H](NC(=O)C12CC[NH+](CC1)C2)c1ccc(Cl)cc1 ZINC000908069198 644741485 /nfs/dbraw/zinc/74/14/85/644741485.db2.gz RCNLTOUHUDATKF-OAHLLOKOSA-N 1 3 321.852 2.155 20 0 DEADHO C[N@@H+]1CC[C@H](NCc2n[nH]c(-c3ccccc3)n2)[C@H]2CCC[C@H]21 ZINC000796895208 644808703 /nfs/dbraw/zinc/80/87/03/644808703.db2.gz ACZLPQOJCCXZCR-OWCLPIDISA-N 1 3 311.433 2.434 20 0 DEADHO C[N@H+]1CC[C@H](NCc2n[nH]c(-c3ccccc3)n2)[C@H]2CCC[C@H]21 ZINC000796895208 644808710 /nfs/dbraw/zinc/80/87/10/644808710.db2.gz ACZLPQOJCCXZCR-OWCLPIDISA-N 1 3 311.433 2.434 20 0 DEADHO C[C@](CN)([NH2+]Cc1cc(=O)oc2cc3c(cc12)CCC3)C1CC1 ZINC000843356103 650956633 /nfs/dbraw/zinc/95/66/33/650956633.db2.gz QOPKNXRKVYPDTP-LJQANCHMSA-N 1 3 312.413 2.499 20 0 DEADHO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC000908534572 644896576 /nfs/dbraw/zinc/89/65/76/644896576.db2.gz CXRVCJFVLPSHAG-GOSISDBHSA-N 1 3 307.482 2.195 20 0 DEADHO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC000908534572 644896580 /nfs/dbraw/zinc/89/65/80/644896580.db2.gz CXRVCJFVLPSHAG-GOSISDBHSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(C[C@H](O)c2ccc(F)cn2)CC1 ZINC000799301811 645152252 /nfs/dbraw/zinc/15/22/52/645152252.db2.gz ZQNAFZKCAMSMLB-KRWDZBQOSA-N 1 3 309.429 2.306 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(C[C@H](O)c2ccc(F)cn2)CC1 ZINC000799301811 645152256 /nfs/dbraw/zinc/15/22/56/645152256.db2.gz ZQNAFZKCAMSMLB-KRWDZBQOSA-N 1 3 309.429 2.306 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)NCCCCCC[NH3+])cc(Cl)n1 ZINC000843512778 650988929 /nfs/dbraw/zinc/98/89/29/650988929.db2.gz PWTVBRHIMYIAHD-ZDUSSCGKSA-N 1 3 312.845 2.069 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCCCN2C)CC1 ZINC000912449093 646075274 /nfs/dbraw/zinc/07/52/74/646075274.db2.gz GKIPIJHQGAKKLZ-INIZCTEOSA-N 1 3 310.486 2.034 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)N1CCCCC1 ZINC000912764794 646160311 /nfs/dbraw/zinc/16/03/11/646160311.db2.gz KOGOJKLAKPMLRR-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)N1CCCCC1 ZINC000912764794 646160316 /nfs/dbraw/zinc/16/03/16/646160316.db2.gz KOGOJKLAKPMLRR-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)[N@H+](C)CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810109543 646325744 /nfs/dbraw/zinc/32/57/44/646325744.db2.gz DAKKBVBVSFCQCS-INIZCTEOSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)[N@@H+](C)CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810109543 646325747 /nfs/dbraw/zinc/32/57/47/646325747.db2.gz DAKKBVBVSFCQCS-INIZCTEOSA-N 1 3 301.450 2.045 20 0 DEADHO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810260896 646345142 /nfs/dbraw/zinc/34/51/42/646345142.db2.gz ADLXOZDISVCJQB-WMLDXEAASA-N 1 3 313.461 2.047 20 0 DEADHO CC[N@H+]1CCC[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810260896 646345145 /nfs/dbraw/zinc/34/51/45/646345145.db2.gz ADLXOZDISVCJQB-WMLDXEAASA-N 1 3 313.461 2.047 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000811584015 646547946 /nfs/dbraw/zinc/54/79/46/646547946.db2.gz PRXKKUUPTZLARI-YOEHRIQHSA-N 1 3 315.477 2.436 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000811584015 646547948 /nfs/dbraw/zinc/54/79/48/646547948.db2.gz PRXKKUUPTZLARI-YOEHRIQHSA-N 1 3 315.477 2.436 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)[C@H]2CCC[N@H+](CCC3CC3)CC2)C1 ZINC000948767657 646618100 /nfs/dbraw/zinc/61/81/00/646618100.db2.gz YLVYWELIBDKCNC-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)[C@H]2CCC[N@@H+](CCC3CC3)CC2)C1 ZINC000948767657 646618102 /nfs/dbraw/zinc/61/81/02/646618102.db2.gz YLVYWELIBDKCNC-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]21 ZINC000992707656 647190852 /nfs/dbraw/zinc/19/08/52/647190852.db2.gz HBRHSTBLRVMSHR-USXIJHARSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]21 ZINC000992715167 647194025 /nfs/dbraw/zinc/19/40/25/647194025.db2.gz RVSVYCXWGUGJKR-CGTJXYLNSA-N 1 3 321.509 2.343 20 0 DEADHO COC[C@H](CCC[NH3+])NCc1ccc(Br)cc1F ZINC000817891917 647372488 /nfs/dbraw/zinc/37/24/88/647372488.db2.gz PSZJMFQTSHCEFL-LBPRGKRZSA-N 1 3 319.218 2.432 20 0 DEADHO CC(C)Oc1cccc([C@H](O)CN[C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000817895957 647374682 /nfs/dbraw/zinc/37/46/82/647374682.db2.gz XZSLAUIQQYMRGS-JCGIZDLHSA-N 1 3 306.450 2.485 20 0 DEADHO COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(CN)nc2C)c1 ZINC000817904969 647378621 /nfs/dbraw/zinc/37/86/21/647378621.db2.gz JCGQXMUYQLQKKZ-SGTLLEGYSA-N 1 3 315.417 2.242 20 0 DEADHO [NH3+]C[C@H]1CCC[C@H]1NC[C@@H](O)c1cccc(Br)c1 ZINC000817929968 647385147 /nfs/dbraw/zinc/38/51/47/647385147.db2.gz WWSVFQDPISJFTR-MRVWCRGKSA-N 1 3 313.239 2.200 20 0 DEADHO CC(C)C[C@H](C[NH3+])N[C@H](C)CC(=O)Nc1cccnc1Cl ZINC000817958120 647393569 /nfs/dbraw/zinc/39/35/69/647393569.db2.gz HQGUJTXIMCXJFM-VXGBXAGGSA-N 1 3 312.845 2.415 20 0 DEADHO COc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)N)cc1Cn1cccn1 ZINC000817978139 647398852 /nfs/dbraw/zinc/39/88/52/647398852.db2.gz WXXPLCNRGRGURY-MJBXVCDLSA-N 1 3 302.422 2.326 20 0 DEADHO CC(C)OCC[NH+]1CCC(NC[C@@H](O)c2ccccc2F)CC1 ZINC000819128562 647588771 /nfs/dbraw/zinc/58/87/71/647588771.db2.gz NCVGLKDVDXJCRG-GOSISDBHSA-N 1 3 324.440 2.338 20 0 DEADHO CCCC[N@@H+]1CCC[C@H](NC(=O)C23CCCN2CCC3)[C@@H]1C ZINC000993525045 647689333 /nfs/dbraw/zinc/68/93/33/647689333.db2.gz DNQICECPTONJSM-HOTGVXAUSA-N 1 3 307.482 2.384 20 0 DEADHO CCCC[N@H+]1CCC[C@H](NC(=O)C23CCCN2CCC3)[C@@H]1C ZINC000993525045 647689334 /nfs/dbraw/zinc/68/93/34/647689334.db2.gz DNQICECPTONJSM-HOTGVXAUSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@H]1[C@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)CCN1C ZINC000921362324 648293905 /nfs/dbraw/zinc/29/39/05/648293905.db2.gz IYBIZAJWBZBIDG-ZGRYLRDCSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)CCN1C ZINC000921362322 648294145 /nfs/dbraw/zinc/29/41/45/648294145.db2.gz IYBIZAJWBZBIDG-RDHHWEPZSA-N 1 3 322.497 2.175 20 0 DEADHO CC(C)(C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC2)C1)N1CCCC1 ZINC000995057456 648830539 /nfs/dbraw/zinc/83/05/39/648830539.db2.gz VIHFFAVPHHVTET-HOTGVXAUSA-N 1 3 307.482 2.145 20 0 DEADHO [NH3+]Cc1cccc(C(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000826866826 648939585 /nfs/dbraw/zinc/93/95/85/648939585.db2.gz CHXBNPQWXOYURU-UHFFFAOYSA-N 1 3 323.440 2.324 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC2)CC1(C)C ZINC000940788962 648942055 /nfs/dbraw/zinc/94/20/55/648942055.db2.gz GHGKKRDOQIIQJU-DLBZAZTESA-N 1 3 321.509 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC1(C)C ZINC000940788962 648942056 /nfs/dbraw/zinc/94/20/56/648942056.db2.gz GHGKKRDOQIIQJU-DLBZAZTESA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1C[N@H+](CC2CCC2)CC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942558512 649244785 /nfs/dbraw/zinc/24/47/85/649244785.db2.gz XRIYWWKNIWTMEW-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1C[N@@H+](CC2CCC2)CC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942558512 649244786 /nfs/dbraw/zinc/24/47/86/649244786.db2.gz XRIYWWKNIWTMEW-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO COc1ccc(F)cc1CN1CCN(CCCCCC[NH3+])CC1 ZINC000846222203 651316030 /nfs/dbraw/zinc/31/60/30/651316030.db2.gz UADGGDYUTORULN-UHFFFAOYSA-N 1 3 323.456 2.471 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]4C[C@@H]43)CC2)CC1 ZINC000848062350 651436026 /nfs/dbraw/zinc/43/60/26/651436026.db2.gz APNZTODDKFSOHN-AEFFLSMTSA-N 1 3 319.493 2.194 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCO[C@H](C(C)C)C1 ZINC000849037130 651590694 /nfs/dbraw/zinc/59/06/94/651590694.db2.gz PJYLUEDZUHWDLQ-XHSDSOJGSA-N 1 3 310.486 2.036 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1C[C@@H]1c1ccccc1 ZINC000849046239 651594885 /nfs/dbraw/zinc/59/48/85/651594885.db2.gz YSXSGLJMLZGNEQ-IXDOHACOSA-N 1 3 300.450 2.388 20 0 DEADHO Cc1ccc([C@@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)o1 ZINC000855346349 651680160 /nfs/dbraw/zinc/68/01/60/651680160.db2.gz YBITUPWVCGNZDZ-DZGCQCFKSA-N 1 3 309.454 2.080 20 0 DEADHO Cc1ccc([C@@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)o1 ZINC000855346349 651680166 /nfs/dbraw/zinc/68/01/66/651680166.db2.gz YBITUPWVCGNZDZ-DZGCQCFKSA-N 1 3 309.454 2.080 20 0 DEADHO Cn1nccc1[C@H](O)C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000856798910 651986247 /nfs/dbraw/zinc/98/62/47/651986247.db2.gz LXXQKSINBGZNFN-GOSISDBHSA-N 1 3 320.481 2.042 20 0 DEADHO CN1CC[C@H]([NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC1(C)C ZINC000858135660 652262950 /nfs/dbraw/zinc/26/29/50/652262950.db2.gz BMAWLWFBCSIUQF-IRXDYDNUSA-N 1 3 309.498 2.092 20 0 DEADHO CCOC(=O)N[C@@H]1CCCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000852750529 652449930 /nfs/dbraw/zinc/44/99/30/652449930.db2.gz XPQQZBBHALKBJG-MRXNPFEDSA-N 1 3 317.433 2.043 20 0 DEADHO CCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)C1 ZINC000852864541 652472042 /nfs/dbraw/zinc/47/20/42/652472042.db2.gz ZOHOSOFDVLEKPY-ZIAGYGMSSA-N 1 3 324.856 2.034 20 0 DEADHO CCC[N@H+]1CC[C@@H](NC(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)C1 ZINC000852864541 652472047 /nfs/dbraw/zinc/47/20/47/652472047.db2.gz ZOHOSOFDVLEKPY-ZIAGYGMSSA-N 1 3 324.856 2.034 20 0 DEADHO CCN1CCN(CCNc2cc[nH+]c3cc(OC)ccc23)CC1 ZINC000853151437 652511616 /nfs/dbraw/zinc/51/16/16/652511616.db2.gz PWNIAUAIOQXQGZ-UHFFFAOYSA-N 1 3 314.433 2.293 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC1CC1)N(CC)CC ZINC001370897639 1155621095 /nfs/dbraw/zinc/62/10/95/1155621095.db2.gz MOHMTUPBSGZNBJ-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CCC2CC2)C1)N(CC)CC ZINC001373681940 1157263225 /nfs/dbraw/zinc/26/32/25/1157263225.db2.gz ODOAXBHTMZLOJM-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](CCC2CC2)C1)N(CC)CC ZINC001373681940 1157263240 /nfs/dbraw/zinc/26/32/40/1157263240.db2.gz ODOAXBHTMZLOJM-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000928442996 693780999 /nfs/dbraw/zinc/78/09/99/693780999.db2.gz CKCAOVCCQVFKAS-QAPCUYQASA-N 1 3 315.461 2.107 20 0 DEADHO CN(C)C1(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCC1 ZINC000119576770 684083797 /nfs/dbraw/zinc/08/37/97/684083797.db2.gz OOIIXOUWUVNNEJ-UHFFFAOYSA-N 1 3 315.461 2.383 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2)C1)N(C)C ZINC000130077407 684185262 /nfs/dbraw/zinc/18/52/62/684185262.db2.gz QLCUKEGQFOTHBH-ROUUACIJSA-N 1 3 317.477 2.353 20 0 DEADHO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)CC1CC[NH+](C)CC1 ZINC000275770496 685209504 /nfs/dbraw/zinc/20/95/04/685209504.db2.gz YVGYMQVKNUKNLQ-CQSZACIVSA-N 1 3 324.490 2.425 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000929470168 693962858 /nfs/dbraw/zinc/96/28/58/693962858.db2.gz ZJRJZHYOPMOSTK-MSOLQXFVSA-N 1 3 317.477 2.148 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CCC1CCCC1 ZINC001054734076 694034874 /nfs/dbraw/zinc/03/48/74/694034874.db2.gz ACIVFYWYZPOQPH-MAUKXSAKSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]Cc1ccsc1 ZINC001054741660 694037347 /nfs/dbraw/zinc/03/73/47/694037347.db2.gz ZPUNHEXGKRALIO-CJNGLKHVSA-N 1 3 321.490 2.169 20 0 DEADHO C[NH+](C)C1(C)CCC(NC(=O)NCCN2CCCCC2)CC1 ZINC000864416864 686711775 /nfs/dbraw/zinc/71/17/75/686711775.db2.gz ACEGGINCDLJTRI-UHFFFAOYSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@H]1C[C@@H]1NC(=[NH2+])NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000864464470 686730047 /nfs/dbraw/zinc/73/00/47/686730047.db2.gz CZKVSZDHKGFKMV-ZIUBGBMXSA-N 1 3 318.387 2.314 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)c1 ZINC000864620913 686781238 /nfs/dbraw/zinc/78/12/38/686781238.db2.gz RSUFJRKQSAIWSU-CVEARBPZSA-N 1 3 302.422 2.106 20 0 DEADHO CC(C)[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccccn1 ZINC000866351561 687544801 /nfs/dbraw/zinc/54/48/01/687544801.db2.gz BPVLAFGRIPOTFY-QGZVFWFLSA-N 1 3 304.482 2.394 20 0 DEADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001017556217 687911821 /nfs/dbraw/zinc/91/18/21/687911821.db2.gz CRKNGATYUXFTII-FGTMMUONSA-N 1 3 319.493 2.050 20 0 DEADHO CC(C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001017616912 687924769 /nfs/dbraw/zinc/92/47/69/687924769.db2.gz GJQVUZDKTYHRNE-ZACQAIPSSA-N 1 3 307.482 2.333 20 0 DEADHO CC(C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001017616912 687924773 /nfs/dbraw/zinc/92/47/73/687924773.db2.gz GJQVUZDKTYHRNE-ZACQAIPSSA-N 1 3 307.482 2.333 20 0 DEADHO CC(C)[NH+]1CCC(CCNC(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000868364633 687992384 /nfs/dbraw/zinc/99/23/84/687992384.db2.gz AGJGOPFKGGGNCM-MRXNPFEDSA-N 1 3 322.497 2.033 20 0 DEADHO CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[C@@H](C)C1 ZINC001017944432 688007930 /nfs/dbraw/zinc/00/79/30/688007930.db2.gz LAWBZJLVWJRHKX-NXHRZFHOSA-N 1 3 321.509 2.440 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[C@@H](C)C1 ZINC001017944432 688007933 /nfs/dbraw/zinc/00/79/33/688007933.db2.gz LAWBZJLVWJRHKX-NXHRZFHOSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(C)c(F)c2)C1)N(C)C ZINC001019032365 688273343 /nfs/dbraw/zinc/27/33/43/688273343.db2.gz RXDIAQMGGSRRIR-DOTOQJQBSA-N 1 3 321.440 2.165 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1)N(C)C ZINC001019034556 688274790 /nfs/dbraw/zinc/27/47/90/688274790.db2.gz HFJKBKJFLSDXOJ-RRQGHBQHSA-N 1 3 321.440 2.417 20 0 DEADHO CN(CC(=O)N1CC[C@@H](C[N@H+](C)CC2CCC2)C1)C1CCC1 ZINC001029755139 688573394 /nfs/dbraw/zinc/57/33/94/688573394.db2.gz JFJAJOAELKUEEO-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CN(CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CCC2)C1)C1CCC1 ZINC001029755139 688573395 /nfs/dbraw/zinc/57/33/95/688573395.db2.gz JFJAJOAELKUEEO-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CC1CC(C[N@H+](C)CC2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001030000239 688585261 /nfs/dbraw/zinc/58/52/61/688585261.db2.gz VSCVIOWMVRNXHL-UHFFFAOYSA-N 1 3 318.465 2.169 20 0 DEADHO CC1CC(C[N@@H+](C)CC2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001030000239 688585263 /nfs/dbraw/zinc/58/52/63/688585263.db2.gz VSCVIOWMVRNXHL-UHFFFAOYSA-N 1 3 318.465 2.169 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000870872892 688673840 /nfs/dbraw/zinc/67/38/40/688673840.db2.gz OZVASKDIBLIWBQ-VDHUWJSZSA-N 1 3 315.461 2.456 20 0 DEADHO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)[C@H]2CNCc3ccccc32)C1 ZINC000870989682 688705363 /nfs/dbraw/zinc/70/53/63/688705363.db2.gz MMFSBXMDQGMHIP-QFBILLFUSA-N 1 3 315.461 2.097 20 0 DEADHO CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCC1(C)C ZINC000871154821 688737713 /nfs/dbraw/zinc/73/77/13/688737713.db2.gz KJVLEHNJYLDLOY-INIZCTEOSA-N 1 3 307.482 2.336 20 0 DEADHO CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCC1(C)C ZINC000871154821 688737716 /nfs/dbraw/zinc/73/77/16/688737716.db2.gz KJVLEHNJYLDLOY-INIZCTEOSA-N 1 3 307.482 2.336 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000872023458 688915140 /nfs/dbraw/zinc/91/51/40/688915140.db2.gz SBGKAWDFYBASAF-IRXDYDNUSA-N 1 3 311.514 2.197 20 0 DEADHO COc1ccc(OC)c([C@H](O)[C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000872137889 688934737 /nfs/dbraw/zinc/93/47/37/688934737.db2.gz RLIHRTWQVKGPJF-UYAYXHRUSA-N 1 3 322.449 2.198 20 0 DEADHO COc1ccc(OC)c([C@H](O)[C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000872137889 688934740 /nfs/dbraw/zinc/93/47/40/688934740.db2.gz RLIHRTWQVKGPJF-UYAYXHRUSA-N 1 3 322.449 2.198 20 0 DEADHO CC(C)(O)C[C@H](O)CNC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000872208243 688952565 /nfs/dbraw/zinc/95/25/65/688952565.db2.gz SLFPIOXMUWNIRU-HKUYNNGSSA-N 1 3 320.477 2.010 20 0 DEADHO CC(C)(O)C[C@H](O)CNC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000872208243 688952570 /nfs/dbraw/zinc/95/25/70/688952570.db2.gz SLFPIOXMUWNIRU-HKUYNNGSSA-N 1 3 320.477 2.010 20 0 DEADHO CC[C@@H](C)C[NH+]1CC(CNC(=O)c2ccccc2CN(C)C)C1 ZINC001032205304 689082802 /nfs/dbraw/zinc/08/28/02/689082802.db2.gz VDPPPGWBSXKXKB-OAHLLOKOSA-N 1 3 317.477 2.456 20 0 DEADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC2CC(C)(C)C2)CC[N@@H+]1C ZINC001032411213 689143277 /nfs/dbraw/zinc/14/32/77/689143277.db2.gz IKQMZYVITGCVKB-BSWAZPDLSA-N 1 3 319.493 2.048 20 0 DEADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC2CC(C)(C)C2)CC[N@H+]1C ZINC001032411213 689143278 /nfs/dbraw/zinc/14/32/78/689143278.db2.gz IKQMZYVITGCVKB-BSWAZPDLSA-N 1 3 319.493 2.048 20 0 DEADHO C[C@@H]1C[C@H](CN2CCN(c3ccc(F)cc3F)CC2)CC[NH2+]1 ZINC000873221421 689186571 /nfs/dbraw/zinc/18/65/71/689186571.db2.gz JUNJOGRNLMRIMB-ZIAGYGMSSA-N 1 3 309.404 2.475 20 0 DEADHO NCc1cn(-c2cccc(C[NH2+][C@H]3CC[C@H]3C3CCC3)c2)nn1 ZINC000873245217 689192451 /nfs/dbraw/zinc/19/24/51/689192451.db2.gz XXRZQFHHNNQVFM-ROUUACIJSA-N 1 3 311.433 2.394 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC(C)C)C1 ZINC001032581473 689193389 /nfs/dbraw/zinc/19/33/89/689193389.db2.gz UYAYKKNGHANJAH-ULQDDVLXSA-N 1 3 307.482 2.050 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC(C)C)C1 ZINC001032581473 689193391 /nfs/dbraw/zinc/19/33/91/689193391.db2.gz UYAYKKNGHANJAH-ULQDDVLXSA-N 1 3 307.482 2.050 20 0 DEADHO C(N[C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CC2(CO1)CCOCC2 ZINC000873250247 689194358 /nfs/dbraw/zinc/19/43/58/689194358.db2.gz FJTZDMJORZMUHR-QAETUUGQSA-N 1 3 308.466 2.082 20 0 DEADHO C[C@@H](F)CC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)N2CCCC2)C1 ZINC001033319377 689460612 /nfs/dbraw/zinc/46/06/12/689460612.db2.gz PSJGRFCYVXEUCL-HUUCEWRRSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@@H](F)CC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)N2CCCC2)C1 ZINC001033319377 689460613 /nfs/dbraw/zinc/46/06/13/689460613.db2.gz PSJGRFCYVXEUCL-HUUCEWRRSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CC2CC2)C1)N1CCCCCC1 ZINC001033466391 689511551 /nfs/dbraw/zinc/51/15/51/689511551.db2.gz FEDKKCIAEGNVDG-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCCCCC1 ZINC001033466391 689511556 /nfs/dbraw/zinc/51/15/56/689511556.db2.gz FEDKKCIAEGNVDG-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000874839824 689512279 /nfs/dbraw/zinc/51/22/79/689512279.db2.gz YSYKFOBMORTOJZ-IAGOWNOFSA-N 1 3 301.434 2.057 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1 ZINC000874839824 689512282 /nfs/dbraw/zinc/51/22/82/689512282.db2.gz YSYKFOBMORTOJZ-IAGOWNOFSA-N 1 3 301.434 2.057 20 0 DEADHO CCCCN(CCOCCO)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034797 694299065 /nfs/dbraw/zinc/29/90/65/694299065.db2.gz XMEXVXBJGPOCPO-UHFFFAOYSA-N 1 3 300.487 2.407 20 0 DEADHO O=C(N[C@H]1CCCC[N@H+](CC2CC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001034332348 689812404 /nfs/dbraw/zinc/81/24/04/689812404.db2.gz XXSACLSYZVVGHF-ROUUACIJSA-N 1 3 319.493 2.242 20 0 DEADHO O=C(N[C@H]1CCCC[N@@H+](CC2CC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001034332348 689812406 /nfs/dbraw/zinc/81/24/06/689812406.db2.gz XXSACLSYZVVGHF-ROUUACIJSA-N 1 3 319.493 2.242 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)N(C)C)cc1 ZINC000876731325 689919133 /nfs/dbraw/zinc/91/91/33/689919133.db2.gz IIOKOXPUHRLBAI-OWCLPIDISA-N 1 3 303.450 2.087 20 0 DEADHO CN(C)C[C@H]1CC[N@H+](CC(C)(C)CNC(=O)OC(C)(C)C)C1 ZINC000876731486 689919391 /nfs/dbraw/zinc/91/93/91/689919391.db2.gz RJRYKHOYHXQIGF-CQSZACIVSA-N 1 3 313.486 2.421 20 0 DEADHO CN(C)C[C@H]1CC[N@@H+](CC(C)(C)CNC(=O)OC(C)(C)C)C1 ZINC000876731486 689919394 /nfs/dbraw/zinc/91/93/94/689919394.db2.gz RJRYKHOYHXQIGF-CQSZACIVSA-N 1 3 313.486 2.421 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2(C)C)CN1Cc1ccccc1 ZINC000876777628 689934402 /nfs/dbraw/zinc/93/44/02/689934402.db2.gz SOVOYPNKLMKGCK-XBVQOTNRSA-N 1 3 315.461 2.139 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[NH2+]CC2CC(C)(C)C2)CCC1 ZINC001034957446 689998943 /nfs/dbraw/zinc/99/89/43/689998943.db2.gz VCCHRFHTDJIIOY-MRXNPFEDSA-N 1 3 321.509 2.488 20 0 DEADHO ClC1(Cl)C[C@H]1C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000877054940 690009077 /nfs/dbraw/zinc/00/90/77/690009077.db2.gz LUPIGVZQEWSDLL-RYUDHWBXSA-N 1 3 307.265 2.271 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]Cc2ccsc2)C1 ZINC001035049815 690020929 /nfs/dbraw/zinc/02/09/29/690020929.db2.gz TWYWTAFVQVKIQZ-GOEBONIOSA-N 1 3 321.490 2.171 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CC(C)(C)C1)N(C)C ZINC001035052144 690021643 /nfs/dbraw/zinc/02/16/43/690021643.db2.gz FOZATJOUJICEDN-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1)N(C)C ZINC001035052366 690022159 /nfs/dbraw/zinc/02/21/59/690022159.db2.gz LXDHJCBXJILUOI-SJORKVTESA-N 1 3 307.482 2.408 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC3(C[NH+](CCC4CC4)C3)CC2)C1 ZINC001035795532 690177858 /nfs/dbraw/zinc/17/78/58/690177858.db2.gz VPYDAVWIBJFXDA-MRXNPFEDSA-N 1 3 319.493 2.053 20 0 DEADHO C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@H]1[NH2+]CCF ZINC001036027043 690238797 /nfs/dbraw/zinc/23/87/97/690238797.db2.gz FPSXEIJNOASJPH-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)[NH2+][C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001036028614 690239431 /nfs/dbraw/zinc/23/94/31/690239431.db2.gz KHRYQUCXLUFSAI-JKSUJKDBSA-N 1 3 309.498 2.486 20 0 DEADHO Cc1ccccc1[C@@H]1CCCN1CC(=O)NC1CC[NH+](C)CC1 ZINC000877975373 690275599 /nfs/dbraw/zinc/27/55/99/690275599.db2.gz HHTBMEKKJOGWLC-SFHVURJKSA-N 1 3 315.461 2.342 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CC3CCC3)[C@H](C)C2)CC1 ZINC001036223135 690294969 /nfs/dbraw/zinc/29/49/69/690294969.db2.gz FFPIDMVRLMPWJT-AEFFLSMTSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001036229201 690296488 /nfs/dbraw/zinc/29/64/88/690296488.db2.gz HLCUCQDDSONVSL-IRXDYDNUSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H]([NH2+]CC1CC1)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001036420249 690346403 /nfs/dbraw/zinc/34/64/03/690346403.db2.gz YKPRWUXRMDEJFK-GDBMZVCRSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@H]21 ZINC001036736418 690453185 /nfs/dbraw/zinc/45/31/85/690453185.db2.gz ZPDOWQWQQRKOIR-JKSUJKDBSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)C[N@H+]1CC[C@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@H]21 ZINC001036736418 690453189 /nfs/dbraw/zinc/45/31/89/690453189.db2.gz ZPDOWQWQQRKOIR-JKSUJKDBSA-N 1 3 307.482 2.050 20 0 DEADHO CCCC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)C3CCC3)CC[C@H]21 ZINC001036738015 690453817 /nfs/dbraw/zinc/45/38/17/690453817.db2.gz ZPKIAVALSUTOPE-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO CCCC[N@H+]1CC[C@H]2CN(C(=O)CN(C)C3CCC3)CC[C@H]21 ZINC001036738015 690453819 /nfs/dbraw/zinc/45/38/19/690453819.db2.gz ZPKIAVALSUTOPE-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO CC[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CC1CCC1 ZINC001037858126 690625440 /nfs/dbraw/zinc/62/54/40/690625440.db2.gz FEBLGTSJSXFEBM-AEFFLSMTSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@@H]1[NH2+]CC1CC1 ZINC001037951271 690647693 /nfs/dbraw/zinc/64/76/93/690647693.db2.gz RZSIYXDRKFPPGQ-MSOLQXFVSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)CN1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001038348956 690790411 /nfs/dbraw/zinc/79/04/11/690790411.db2.gz DRRYCCHXFXDJGG-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)CN1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001038348956 690790414 /nfs/dbraw/zinc/79/04/14/690790414.db2.gz DRRYCCHXFXDJGG-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO Cc1ccccc1C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001038406192 690809885 /nfs/dbraw/zinc/80/98/85/690809885.db2.gz BHUPQVMCBHRKHU-ROUUACIJSA-N 1 3 315.461 2.170 20 0 DEADHO Cc1ccccc1C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001038406192 690809887 /nfs/dbraw/zinc/80/98/87/690809887.db2.gz BHUPQVMCBHRKHU-ROUUACIJSA-N 1 3 315.461 2.170 20 0 DEADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCN2CC2CC3(CCC3)C2)CC1 ZINC001038672860 690893882 /nfs/dbraw/zinc/89/38/82/690893882.db2.gz YMBQDWBOMBYKLH-KRWDZBQOSA-N 1 3 319.493 2.099 20 0 DEADHO CC(C)N1CC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038711636 690902609 /nfs/dbraw/zinc/90/26/09/690902609.db2.gz BYFICRQKQIYOHH-KRWDZBQOSA-N 1 3 303.450 2.003 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001039135383 691029878 /nfs/dbraw/zinc/02/98/78/691029878.db2.gz CQUZQCNFNOWPAZ-QGZVFWFLSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001039135383 691029879 /nfs/dbraw/zinc/02/98/79/691029879.db2.gz CQUZQCNFNOWPAZ-QGZVFWFLSA-N 1 3 321.509 2.440 20 0 DEADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCCN1C(C)C ZINC001039447164 691107868 /nfs/dbraw/zinc/10/78/68/691107868.db2.gz AOJCLAKDEPXHBF-IKGGRYGDSA-N 1 3 307.482 2.335 20 0 DEADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCCN1C(C)C ZINC001039447164 691107869 /nfs/dbraw/zinc/10/78/69/691107869.db2.gz AOJCLAKDEPXHBF-IKGGRYGDSA-N 1 3 307.482 2.335 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001039474421 691115160 /nfs/dbraw/zinc/11/51/60/691115160.db2.gz HGWAXQKOOLGVTQ-IXDOHACOSA-N 1 3 307.482 2.192 20 0 DEADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039914591 691163384 /nfs/dbraw/zinc/16/33/84/691163384.db2.gz UTPMATDIXUCPQO-NRSFXHEJSA-N 1 3 319.493 2.050 20 0 DEADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039914591 691163387 /nfs/dbraw/zinc/16/33/87/691163387.db2.gz UTPMATDIXUCPQO-NRSFXHEJSA-N 1 3 319.493 2.050 20 0 DEADHO CC[NH+]1CCC2(CCN(C(=O)CN3CCC(C)CC3)C2)CC1 ZINC001040895515 691296554 /nfs/dbraw/zinc/29/65/54/691296554.db2.gz WUCLDYKMRAVVQK-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001041358226 691366671 /nfs/dbraw/zinc/36/66/71/691366671.db2.gz MFUDIMVNHVYFBO-AEFFLSMTSA-N 1 3 307.482 2.051 20 0 DEADHO CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001041358226 691366673 /nfs/dbraw/zinc/36/66/73/691366673.db2.gz MFUDIMVNHVYFBO-AEFFLSMTSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@]2(CC[N@H+](CCC3CC3)C2)C1)N(C)C ZINC001041644725 691405046 /nfs/dbraw/zinc/40/50/46/691405046.db2.gz GKVAWFPLBPKSLI-MJGOQNOKSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CCC3CC3)C2)C1)N(C)C ZINC001041644725 691405047 /nfs/dbraw/zinc/40/50/47/691405047.db2.gz GKVAWFPLBPKSLI-MJGOQNOKSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@H+](CCC4CC4)C3)C2)C1 ZINC001041681238 691409372 /nfs/dbraw/zinc/40/93/72/691409372.db2.gz ZLLNJCWECZUCIS-QFBILLFUSA-N 1 3 319.493 2.053 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@@H+](CCC4CC4)C3)C2)C1 ZINC001041681238 691409377 /nfs/dbraw/zinc/40/93/77/691409377.db2.gz ZLLNJCWECZUCIS-QFBILLFUSA-N 1 3 319.493 2.053 20 0 DEADHO COC(=O)c1ccc(OC)c(CN2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000883416942 691503488 /nfs/dbraw/zinc/50/34/88/691503488.db2.gz JAGNNNLPYKNTTG-GFCCVEGCSA-N 1 3 306.406 2.041 20 0 DEADHO CCC[N@H+](C[C@H]1CCC2(CCOCC2)CO1)C1CCNCC1 ZINC000883424155 691505474 /nfs/dbraw/zinc/50/54/74/691505474.db2.gz IFJWYFWEQPESGQ-QGZVFWFLSA-N 1 3 310.482 2.426 20 0 DEADHO CCC[N@@H+](C[C@H]1CCC2(CCOCC2)CO1)C1CCNCC1 ZINC000883424155 691505476 /nfs/dbraw/zinc/50/54/76/691505476.db2.gz IFJWYFWEQPESGQ-QGZVFWFLSA-N 1 3 310.482 2.426 20 0 DEADHO CCCN(C[C@H]1CCC2(CCOCC2)CO1)C1CC[NH2+]CC1 ZINC000883424155 691505478 /nfs/dbraw/zinc/50/54/78/691505478.db2.gz IFJWYFWEQPESGQ-QGZVFWFLSA-N 1 3 310.482 2.426 20 0 DEADHO COC(=O)c1ccc(OC)c(CN2CCC[C@@H](CC[NH3+])C2)c1 ZINC000883427093 691506334 /nfs/dbraw/zinc/50/63/34/691506334.db2.gz IFOHYMWUDVCTGO-ZDUSSCGKSA-N 1 3 306.406 2.043 20 0 DEADHO c1cc(OCCC[N@@H+]2CCNCCC23CCC3)cc2c1OCO2 ZINC000883458487 691517133 /nfs/dbraw/zinc/51/71/33/691517133.db2.gz LIMGIYQOZFLHEC-UHFFFAOYSA-N 1 3 318.417 2.402 20 0 DEADHO c1cc(OCCC[N@H+]2CCNCCC23CCC3)cc2c1OCO2 ZINC000883458487 691517136 /nfs/dbraw/zinc/51/71/36/691517136.db2.gz LIMGIYQOZFLHEC-UHFFFAOYSA-N 1 3 318.417 2.402 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@H]21 ZINC001042313620 691566783 /nfs/dbraw/zinc/56/67/83/691566783.db2.gz JNJDHKABDCMMGW-GJZGRUSLSA-N 1 3 318.465 2.266 20 0 DEADHO CC(C)C[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@H]21 ZINC001042313620 691566787 /nfs/dbraw/zinc/56/67/87/691566787.db2.gz JNJDHKABDCMMGW-GJZGRUSLSA-N 1 3 318.465 2.266 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](N)CC1CC1)Cc1ccccc1 ZINC000884188440 691677732 /nfs/dbraw/zinc/67/77/32/691677732.db2.gz IFDXYXYQVJMOTR-MSOLQXFVSA-N 1 3 317.477 2.183 20 0 DEADHO CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000884189802 691678286 /nfs/dbraw/zinc/67/82/86/691678286.db2.gz NEQRWPQYHPSNKY-SJORKVTESA-N 1 3 315.461 2.185 20 0 DEADHO C[NH2+][C@@H](CC(C)C)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000884195966 691679372 /nfs/dbraw/zinc/67/93/72/691679372.db2.gz DYSTVCLRZQSPRT-DLBZAZTESA-N 1 3 305.466 2.348 20 0 DEADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000884357237 691718090 /nfs/dbraw/zinc/71/80/90/691718090.db2.gz USVFZUCUXYRCHI-HOTGVXAUSA-N 1 3 301.434 2.138 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2)CCN1C(=O)CN1CCCC1 ZINC001044856682 691897949 /nfs/dbraw/zinc/89/79/49/691897949.db2.gz BROYSDQZAHRBOP-AEFFLSMTSA-N 1 3 315.461 2.252 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1F ZINC001044960179 691920199 /nfs/dbraw/zinc/92/01/99/691920199.db2.gz YEWZSHQJAMUMGB-DOTOQJQBSA-N 1 3 319.424 2.001 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(F)c1)N(C)C ZINC001045205721 691951177 /nfs/dbraw/zinc/95/11/77/691951177.db2.gz UMBGJWBRBKXCRD-IRXDYDNUSA-N 1 3 321.440 2.247 20 0 DEADHO CC1CCN(CC(=O)N2CCC[C@H]2C[NH2+]CC2CCCC2)CC1 ZINC001045251493 691956693 /nfs/dbraw/zinc/95/66/93/691956693.db2.gz VQRPNXZSCOKBFF-SFHVURJKSA-N 1 3 321.509 2.489 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]2C[NH2+]CC2CC2)c1 ZINC001045321135 691962981 /nfs/dbraw/zinc/96/29/81/691962981.db2.gz BXUWCLXPXUGNOH-SFHVURJKSA-N 1 3 315.461 2.352 20 0 DEADHO C([NH2+][C@H]1CCOC2(CCOCC2)C1)[C@H]1CCCN(CC2CC2)C1 ZINC000886167026 692016585 /nfs/dbraw/zinc/01/65/85/692016585.db2.gz YJHRYIONLFOTST-MSOLQXFVSA-N 1 3 322.493 2.426 20 0 DEADHO CC(C)[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001045967631 692064612 /nfs/dbraw/zinc/06/46/12/692064612.db2.gz YXFYIRJFEULYEK-MJGOQNOKSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001045967631 692064613 /nfs/dbraw/zinc/06/46/13/692064613.db2.gz YXFYIRJFEULYEK-MJGOQNOKSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001045966928 692064900 /nfs/dbraw/zinc/06/49/00/692064900.db2.gz JSUVXNMBISPNSR-FUHWJXTLSA-N 1 3 307.482 2.195 20 0 DEADHO CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001045966928 692064903 /nfs/dbraw/zinc/06/49/03/692064903.db2.gz JSUVXNMBISPNSR-FUHWJXTLSA-N 1 3 307.482 2.195 20 0 DEADHO CN1CCN(c2ccc(C[NH2+][C@H]3CCc4cccnc43)cn2)CC1 ZINC000886500461 692094300 /nfs/dbraw/zinc/09/43/00/692094300.db2.gz WUKYYUJDUWLUMR-KRWDZBQOSA-N 1 3 323.444 2.006 20 0 DEADHO CC[NH+]1CCC([C@@H]2CCCN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001047255542 692403044 /nfs/dbraw/zinc/40/30/44/692403044.db2.gz ARMQJNHQEDRTLA-FUHWJXTLSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@H]([NH2+]CC1CCC1)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001047975906 692526341 /nfs/dbraw/zinc/52/63/41/692526341.db2.gz PGFDYYFXUKAZGO-DOTOQJQBSA-N 1 3 321.509 2.345 20 0 DEADHO CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001048069477 692542687 /nfs/dbraw/zinc/54/26/87/692542687.db2.gz REFNJNUHQNMITB-YOEHRIQHSA-N 1 3 303.450 2.208 20 0 DEADHO CC(C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001048256811 692584684 /nfs/dbraw/zinc/58/46/84/692584684.db2.gz QKHZPIHSSKCWCK-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2C1)N(C)C ZINC001048888713 692716520 /nfs/dbraw/zinc/71/65/20/692716520.db2.gz VKRHQDOSSUHAGH-FGTMMUONSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CC3CCCCC3)C[C@@H]2C1)N(C)C ZINC001048888713 692716525 /nfs/dbraw/zinc/71/65/25/692716525.db2.gz VKRHQDOSSUHAGH-FGTMMUONSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@@H](c1ccccc1)[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001049082520 692758572 /nfs/dbraw/zinc/75/85/72/692758572.db2.gz IWELWJWPMVEAOT-BHYGNILZSA-N 1 3 324.428 2.104 20 0 DEADHO C[C@@H](c1ccccc1)[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001049082520 692758573 /nfs/dbraw/zinc/75/85/73/692758573.db2.gz IWELWJWPMVEAOT-BHYGNILZSA-N 1 3 324.428 2.104 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C1CC1)N1CCCC1 ZINC001049610950 692940432 /nfs/dbraw/zinc/94/04/32/692940432.db2.gz CBCXHELAMZXSQR-KSZLIROESA-N 1 3 319.493 2.336 20 0 DEADHO CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C1CC1)N1CCCC1 ZINC001049610950 692940435 /nfs/dbraw/zinc/94/04/35/692940435.db2.gz CBCXHELAMZXSQR-KSZLIROESA-N 1 3 319.493 2.336 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001050046678 693091161 /nfs/dbraw/zinc/09/11/61/693091161.db2.gz LABYEIDDNGWHPI-RCCFBDPRSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001050046678 693091163 /nfs/dbraw/zinc/09/11/63/693091163.db2.gz LABYEIDDNGWHPI-RCCFBDPRSA-N 1 3 321.509 2.438 20 0 DEADHO CCN1CC[C@H](C[NH2+]C2CC(CNC(=O)OC(C)(C)C)C2)C1 ZINC000924707897 693174911 /nfs/dbraw/zinc/17/49/11/693174911.db2.gz WCTRFTTVGYSGJL-WLYUNCDWSA-N 1 3 311.470 2.221 20 0 DEADHO CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@@H](C)CCN(C)C ZINC000924854003 693193910 /nfs/dbraw/zinc/19/39/10/693193910.db2.gz QZNLGSGYFFMDBX-AHIWAGSCSA-N 1 3 309.429 2.321 20 0 DEADHO CCCC[NH+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC1 ZINC001050543788 693204437 /nfs/dbraw/zinc/20/44/37/693204437.db2.gz LWFMLSABKGMMQW-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2c(C)noc2C)CC1 ZINC000924949639 693205823 /nfs/dbraw/zinc/20/58/23/693205823.db2.gz HCDSSKAFCMCGRC-UONOGXRCSA-N 1 3 308.470 2.216 20 0 DEADHO CC[C@H](C)C[NH+]1CCC2(CN(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001050668162 693228001 /nfs/dbraw/zinc/22/80/01/693228001.db2.gz JXWOCWNPEMXUIU-HOTGVXAUSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H]1COC[C@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000925223621 693243299 /nfs/dbraw/zinc/24/32/99/693243299.db2.gz XFRFRSXSLCPURR-HNAYVOBHSA-N 1 3 318.461 2.158 20 0 DEADHO CC(C)CCN1CCC([NH2+]CCCNc2ncccn2)CC1 ZINC000925239175 693245928 /nfs/dbraw/zinc/24/59/28/693245928.db2.gz UJMOXOORBJPFND-UHFFFAOYSA-N 1 3 305.470 2.379 20 0 DEADHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCc2ccccc2CS(C)(=O)=O)C1 ZINC000925535030 693290786 /nfs/dbraw/zinc/29/07/86/693290786.db2.gz SQAOIUJCXNQMCH-JKSUJKDBSA-N 1 3 324.490 2.227 20 0 DEADHO COc1cc(OC)cc(OCCCN[C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925579200 693302040 /nfs/dbraw/zinc/30/20/40/693302040.db2.gz CXSWEOPPDMJTDA-IRXDYDNUSA-N 1 3 320.433 2.332 20 0 DEADHO OCc1ccc(CC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)cc1 ZINC000925632531 693312773 /nfs/dbraw/zinc/31/27/73/693312773.db2.gz AGNPEZQGEXRRMB-RTBURBONSA-N 1 3 302.462 2.479 20 0 DEADHO c1c(CCN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)nc2n1CCS2 ZINC000925650028 693317014 /nfs/dbraw/zinc/31/70/14/693317014.db2.gz QYRUMTATQQBEDS-JKSUJKDBSA-N 1 3 320.506 2.289 20 0 DEADHO c1c(CC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)nc2n1CCS2 ZINC000925650028 693317019 /nfs/dbraw/zinc/31/70/19/693317019.db2.gz QYRUMTATQQBEDS-JKSUJKDBSA-N 1 3 320.506 2.289 20 0 DEADHO Cn1ccnc1[C@@H]1C[C@@H]([NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CCO1 ZINC000925686339 693324063 /nfs/dbraw/zinc/32/40/63/693324063.db2.gz UFRSTSDFHHBFRZ-XFIYOXNOSA-N 1 3 318.465 2.006 20 0 DEADHO Cn1ccnc1[C@@H]1C[C@@H](N[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCO1 ZINC000925686339 693324069 /nfs/dbraw/zinc/32/40/69/693324069.db2.gz UFRSTSDFHHBFRZ-XFIYOXNOSA-N 1 3 318.465 2.006 20 0 DEADHO O=C1O[C@@H](CN[C@H]2CCc3ccc(F)cc32)CC12CC[NH2+]CC2 ZINC000925852221 693353402 /nfs/dbraw/zinc/35/34/02/693353402.db2.gz HGWLTRBOHHFINA-ZBFHGGJFSA-N 1 3 318.392 2.088 20 0 DEADHO CCC[C@@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccn1 ZINC000925859157 693355844 /nfs/dbraw/zinc/35/58/44/693355844.db2.gz WBEXZRXGIYPXJO-HUUCEWRRSA-N 1 3 317.433 2.198 20 0 DEADHO C[C@@H]1CN(CCC[NH2+][C@H]2CCCN3CCCC[C@@H]23)CCCO1 ZINC000926288427 693428944 /nfs/dbraw/zinc/42/89/44/693428944.db2.gz VGVGZBSSYIBEFN-SQNIBIBYSA-N 1 3 309.498 2.094 20 0 DEADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000926318496 693432779 /nfs/dbraw/zinc/43/27/79/693432779.db2.gz ZKQOSICBLYIITA-SDYYOMKPSA-N 1 3 312.816 2.442 20 0 DEADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000926318496 693432782 /nfs/dbraw/zinc/43/27/82/693432782.db2.gz ZKQOSICBLYIITA-SDYYOMKPSA-N 1 3 312.816 2.442 20 0 DEADHO C[C@@H](NC[C@H]1CN(C2CC2)C(=O)O1)c1cccc(C[NH+](C)C)c1 ZINC000926674142 693490785 /nfs/dbraw/zinc/49/07/85/693490785.db2.gz MQMZEKGIUKENCG-DYVFJYSZSA-N 1 3 317.433 2.382 20 0 DEADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](N[C@@H](C)c1ccns1)C2 ZINC000926879136 693523084 /nfs/dbraw/zinc/52/30/84/693523084.db2.gz IQBBUNLLQBWAGT-YAYDYNKSSA-N 1 3 309.479 2.273 20 0 DEADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](N[C@@H](C)c1ccns1)C2 ZINC000926879136 693523088 /nfs/dbraw/zinc/52/30/88/693523088.db2.gz IQBBUNLLQBWAGT-YAYDYNKSSA-N 1 3 309.479 2.273 20 0 DEADHO C[NH+]1CCC(C(=O)N[C@@H]2CCCN(C/C=C/Cl)CC2)CC1 ZINC001052680185 693594874 /nfs/dbraw/zinc/59/48/74/693594874.db2.gz HDNCJBYYPJDLDR-WEJQMCOXSA-N 1 3 313.873 2.051 20 0 DEADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCN(C/C=C/Cl)CC2)C1 ZINC001052870454 693637887 /nfs/dbraw/zinc/63/78/87/693637887.db2.gz VAIJCEFNGJNGFN-LPRNFTRESA-N 1 3 313.873 2.051 20 0 DEADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCN(C/C=C/Cl)CC2)C1 ZINC001052870454 693637889 /nfs/dbraw/zinc/63/78/89/693637889.db2.gz VAIJCEFNGJNGFN-LPRNFTRESA-N 1 3 313.873 2.051 20 0 DEADHO CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053029403 693673968 /nfs/dbraw/zinc/67/39/68/693673968.db2.gz RDODLLBXUNUAHO-IRXDYDNUSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053029403 693673969 /nfs/dbraw/zinc/67/39/69/693673969.db2.gz RDODLLBXUNUAHO-IRXDYDNUSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H](C[N@H+](C)CC2CCC2)C1 ZINC001402387918 1162340961 /nfs/dbraw/zinc/34/09/61/1162340961.db2.gz BXPLGAYLHPZDGT-QGZVFWFLSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H](C[N@@H+](C)CC2CCC2)C1 ZINC001402387918 1162340964 /nfs/dbraw/zinc/34/09/64/1162340964.db2.gz BXPLGAYLHPZDGT-QGZVFWFLSA-N 1 3 309.498 2.299 20 0 DEADHO C[C@@H](NC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+])C1=CCN(C)CC1 ZINC001335510219 1150439066 /nfs/dbraw/zinc/43/90/66/1150439066.db2.gz QQXPNDLLENMCBG-BFYDXBDKSA-N 1 3 322.497 2.186 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](N[C@@H](C)c2ccccc2F)C1 ZINC001402629155 1162417837 /nfs/dbraw/zinc/41/78/37/1162417837.db2.gz PIYBZSGQXFZKAP-SOUVJXGZSA-N 1 3 321.440 2.465 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](N[C@@H](C)c2ccccc2F)C1 ZINC001402629155 1162417839 /nfs/dbraw/zinc/41/78/39/1162417839.db2.gz PIYBZSGQXFZKAP-SOUVJXGZSA-N 1 3 321.440 2.465 20 0 DEADHO O[C@H](C[NH2+]CCc1c(F)cccc1Cl)CN1CCCC1 ZINC001351680378 1151596573 /nfs/dbraw/zinc/59/65/73/1151596573.db2.gz WTMMATSFNXVKGA-GFCCVEGCSA-N 1 3 300.805 2.068 20 0 DEADHO CN(CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC2CC2)C1)CC(C)(C)C ZINC001379671340 1152669870 /nfs/dbraw/zinc/66/98/70/1152669870.db2.gz BNSNNOQLXROGFQ-CVEARBPZSA-N 1 3 309.498 2.249 20 0 DEADHO C[C@H]([NH2+]CCC1CCCC1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001380679136 1152843078 /nfs/dbraw/zinc/84/30/78/1152843078.db2.gz XSRGZOSNUDYKQV-WMZOPIPTSA-N 1 3 321.509 2.489 20 0 DEADHO CCC1([NH2+]CC2CC(C)C2)CCN(C(=O)CN2CCCC2)CC1 ZINC001381022554 1152894208 /nfs/dbraw/zinc/89/42/08/1152894208.db2.gz NUELWKWPJYPCEG-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CC[N@H+](CCC3CC3)CC2(C)C)CCC1 ZINC001381146546 1152925380 /nfs/dbraw/zinc/92/53/80/1152925380.db2.gz YLJYKAKUQURHHF-MRXNPFEDSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CC[N@@H+](CCC3CC3)CC2(C)C)CCC1 ZINC001381146546 1152925382 /nfs/dbraw/zinc/92/53/82/1152925382.db2.gz YLJYKAKUQURHHF-MRXNPFEDSA-N 1 3 321.509 2.488 20 0 DEADHO CCN(C(=O)c1cccc(CC[NH+](C)C)c1)C1CCN(C)CC1 ZINC001362614052 1153008664 /nfs/dbraw/zinc/00/86/64/1153008664.db2.gz VZLFGNJXJOSPAE-UHFFFAOYSA-N 1 3 317.477 2.347 20 0 DEADHO C[C@@H](NCc1cncs1)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001381394656 1153037410 /nfs/dbraw/zinc/03/74/10/1153037410.db2.gz DRGVTXGOCSYNAF-CHWSQXEVSA-N 1 3 324.494 2.000 20 0 DEADHO CN(C)C1(C(=O)NCC2CC[NH+](CC3CC3)CC2)CCCC1 ZINC001362698440 1153048304 /nfs/dbraw/zinc/04/83/04/1153048304.db2.gz GCXVCRAFEDEGHQ-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO Cc1ccc(F)c(CN[C@@H](C)[C@@H](C)NC(=O)CCC[NH+](C)C)c1 ZINC001381422464 1153052394 /nfs/dbraw/zinc/05/23/94/1153052394.db2.gz VJGIPUVIANFVHF-LSDHHAIUSA-N 1 3 323.456 2.459 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC001362854361 1153116094 /nfs/dbraw/zinc/11/60/94/1153116094.db2.gz IVVGXKIHBYYARW-UAGQMJEPSA-N 1 3 307.482 2.240 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@@H+]3C2)CC1 ZINC001362982337 1153171495 /nfs/dbraw/zinc/17/14/95/1153171495.db2.gz BRIRUMHLCSMADF-ZACQAIPSSA-N 1 3 321.509 2.440 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@H+]3C2)CC1 ZINC001362982337 1153171500 /nfs/dbraw/zinc/17/15/00/1153171500.db2.gz BRIRUMHLCSMADF-ZACQAIPSSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@H](F)C[N@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001381979001 1153301225 /nfs/dbraw/zinc/30/12/25/1153301225.db2.gz GUAIRZNGLHNULI-AWEZNQCLSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]Cc1cccc(F)c1 ZINC001382112287 1153360787 /nfs/dbraw/zinc/36/07/87/1153360787.db2.gz AFZHOWNPVIPDFC-GJZGRUSLSA-N 1 3 321.440 2.104 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]CCc1ccccc1)N(C)C ZINC001382164209 1153384336 /nfs/dbraw/zinc/38/43/36/1153384336.db2.gz YJNMSNZMWYDPFJ-FUHWJXTLSA-N 1 3 319.493 2.252 20 0 DEADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)[C@@H]2C)cs1 ZINC001382311067 1153419559 /nfs/dbraw/zinc/41/95/59/1153419559.db2.gz QDKBWYRLAQVMFH-ZBFHGGJFSA-N 1 3 323.506 2.476 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CCC2CC2)C1)N(CC)CC ZINC001389395349 1155329283 /nfs/dbraw/zinc/32/92/83/1155329283.db2.gz UWXHADZRVZUBBC-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCC2CC2)C1)N(CC)CC ZINC001389395349 1155329287 /nfs/dbraw/zinc/32/92/87/1155329287.db2.gz UWXHADZRVZUBBC-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[NH2+][C@H](CNC(=O)c1cccc(CN(C)C)c1)C1CC1 ZINC001389679998 1155394553 /nfs/dbraw/zinc/39/45/53/1155394553.db2.gz AHSKBJCIMLLQES-QGZVFWFLSA-N 1 3 303.450 2.255 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]CC1CCC2(CC2)CC1)N(C)C ZINC001403092341 1162702765 /nfs/dbraw/zinc/70/27/65/1162702765.db2.gz XJSPMYPZDFFUTE-HOCLYGCPSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H](N[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)c1ccccc1F ZINC001389880938 1155460478 /nfs/dbraw/zinc/46/04/78/1155460478.db2.gz UVWOHVJRKPXEMH-IHRRRGAJSA-N 1 3 307.413 2.075 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC1)N(CC)CC ZINC001370897639 1155621092 /nfs/dbraw/zinc/62/10/92/1155621092.db2.gz MOHMTUPBSGZNBJ-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO Cc1cc(F)ccc1C[NH2+][C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001371366502 1155835082 /nfs/dbraw/zinc/83/50/82/1155835082.db2.gz WGZXALNNTVWIKL-DZGCQCFKSA-N 1 3 321.440 2.070 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001390708449 1155845336 /nfs/dbraw/zinc/84/53/36/1155845336.db2.gz SZPDAQLPWHPSAK-RDJZCZTQSA-N 1 3 317.477 2.321 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCC(C)C)C1 ZINC001371657275 1155896747 /nfs/dbraw/zinc/89/67/47/1155896747.db2.gz GLYJJJDXQVPGNC-HUUCEWRRSA-N 1 3 306.454 2.324 20 0 DEADHO CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1cccc(F)c1 ZINC001391690588 1156698845 /nfs/dbraw/zinc/69/88/45/1156698845.db2.gz BEICMMMPFJZVKE-IRXDYDNUSA-N 1 3 323.456 2.396 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[N@H+](C)CCC1CCCC1 ZINC001403166499 1162803240 /nfs/dbraw/zinc/80/32/40/1162803240.db2.gz DHPAGECGKCPHAG-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[N@@H+](C)CCC1CCCC1 ZINC001403166499 1162803243 /nfs/dbraw/zinc/80/32/43/1162803243.db2.gz DHPAGECGKCPHAG-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](CNC(=O)[C@@H]1CCCN1C(C)C)[NH2+]CCC(F)(F)F ZINC001391698487 1156707469 /nfs/dbraw/zinc/70/74/69/1156707469.db2.gz VVQVOXWHOGNFGN-STQMWFEESA-N 1 3 323.403 2.296 20 0 DEADHO CCCN(CCNC(=O)C[N@@H+]1CC[C@H](C)C1)Cc1ccsc1 ZINC001372730798 1156715231 /nfs/dbraw/zinc/71/52/31/1156715231.db2.gz YESAXAOUNFYOEI-HNNXBMFYSA-N 1 3 323.506 2.418 20 0 DEADHO CCCN(CCNC(=O)C[N@H+]1CC[C@H](C)C1)Cc1ccsc1 ZINC001372730798 1156715249 /nfs/dbraw/zinc/71/52/49/1156715249.db2.gz YESAXAOUNFYOEI-HNNXBMFYSA-N 1 3 323.506 2.418 20 0 DEADHO CC(C)[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccsc1 ZINC001392235381 1156904521 /nfs/dbraw/zinc/90/45/21/1156904521.db2.gz QWAXENGSAIGPCG-MRXNPFEDSA-N 1 3 323.506 2.463 20 0 DEADHO CN(CC[N@H+](C)CCCc1ccsc1)C(=O)CN1CCCC1 ZINC001392328124 1157022127 /nfs/dbraw/zinc/02/21/27/1157022127.db2.gz YUTRBTVPNNOUSK-UHFFFAOYSA-N 1 3 323.506 2.167 20 0 DEADHO CN(CC[N@@H+](C)CCCc1ccsc1)C(=O)CN1CCCC1 ZINC001392328124 1157022132 /nfs/dbraw/zinc/02/21/32/1157022132.db2.gz YUTRBTVPNNOUSK-UHFFFAOYSA-N 1 3 323.506 2.167 20 0 DEADHO CC[C@H](C(=O)NCC1C[NH+]([C@@H]2CCc3ccccc32)C1)N(C)C ZINC001373517513 1157078512 /nfs/dbraw/zinc/07/85/12/1157078512.db2.gz SDXXFCIJEKYJSG-QZTJIDSGSA-N 1 3 315.461 2.062 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc2c(c1)CCC2)N(C)C ZINC001392576304 1157154948 /nfs/dbraw/zinc/15/49/48/1157154948.db2.gz MANMWZJIBZSSRI-KBXCAEBGSA-N 1 3 317.477 2.110 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CC1CCC(C)CC1)N(C)C ZINC001392577212 1157156740 /nfs/dbraw/zinc/15/67/40/1157156740.db2.gz VPYKTGOATALKBN-XGHPGWEVSA-N 1 3 311.514 2.493 20 0 DEADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccccc1F ZINC001373758279 1157344131 /nfs/dbraw/zinc/34/41/31/1157344131.db2.gz MFYZVGPAPWIMBC-OAHLLOKOSA-N 1 3 321.440 2.294 20 0 DEADHO C[C@H](CN(C)C/C=C/c1ccccc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001392725451 1157374671 /nfs/dbraw/zinc/37/46/71/1157374671.db2.gz MINGSGATWSQLDC-XMIMXHRVSA-N 1 3 315.461 2.088 20 0 DEADHO C[C@H](CN(C)C/C=C/c1ccccc1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392725451 1157374683 /nfs/dbraw/zinc/37/46/83/1157374683.db2.gz MINGSGATWSQLDC-XMIMXHRVSA-N 1 3 315.461 2.088 20 0 DEADHO CC[C@H](C(=O)N[C@H](C[NH2+]CC1CC2(CCC2)C1)C1CC1)N(C)C ZINC001392786051 1157412262 /nfs/dbraw/zinc/41/22/62/1157412262.db2.gz SFGDBBBQTOCYBE-IAGOWNOFSA-N 1 3 321.509 2.391 20 0 DEADHO CC(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001403360635 1162862806 /nfs/dbraw/zinc/86/28/06/1162862806.db2.gz NSLGSBGVPPHAPP-CVEARBPZSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001403360635 1162862807 /nfs/dbraw/zinc/86/28/07/1162862807.db2.gz NSLGSBGVPPHAPP-CVEARBPZSA-N 1 3 311.514 2.445 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]Cc2ccc(CF)cc2)CC1)N(C)C ZINC001392917619 1157538591 /nfs/dbraw/zinc/53/85/91/1157538591.db2.gz NFVMSXLHONVUDK-MRXNPFEDSA-N 1 3 321.440 2.235 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]C/C=C/Cl)CCCC1)N(C)C ZINC001374177668 1157693139 /nfs/dbraw/zinc/69/31/39/1157693139.db2.gz DNBDFUVVKJCCKG-UTSBKAFOSA-N 1 3 301.862 2.098 20 0 DEADHO Cc1ccc(C)c(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001374207333 1157726304 /nfs/dbraw/zinc/72/63/04/1157726304.db2.gz SAKBGEFXKUIHNB-AEFFLSMTSA-N 1 3 317.477 2.334 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C[NH2+]CC1CC1)C1CCCCC1 ZINC001374374646 1157831875 /nfs/dbraw/zinc/83/18/75/1157831875.db2.gz WFQVMMPOLMLBMG-KRWDZBQOSA-N 1 3 318.465 2.325 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN(C)Cc1ccccc1 ZINC001374501715 1157879117 /nfs/dbraw/zinc/87/91/17/1157879117.db2.gz IMOHTYCWZGXKMH-SFHVURJKSA-N 1 3 317.477 2.451 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCN(C)Cc1ccccc1 ZINC001374501715 1157879120 /nfs/dbraw/zinc/87/91/20/1157879120.db2.gz IMOHTYCWZGXKMH-SFHVURJKSA-N 1 3 317.477 2.451 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001393745367 1157945902 /nfs/dbraw/zinc/94/59/02/1157945902.db2.gz RBDMUUVHHQISPH-GOEBONIOSA-N 1 3 309.498 2.199 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)c1cccc(OC)c1)N(C)C ZINC001374777178 1158018121 /nfs/dbraw/zinc/01/81/21/1158018121.db2.gz QKZURWQVEYWTEE-JKIFEVAISA-N 1 3 321.465 2.191 20 0 DEADHO C[C@@H]([NH2+]CCc1ccccc1)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001393936461 1158084187 /nfs/dbraw/zinc/08/41/87/1158084187.db2.gz RRYSOUPOSWWRSP-CVEARBPZSA-N 1 3 317.477 2.196 20 0 DEADHO C[C@@H](CN(C)C/C=C/c1ccccc1)NC(=O)CC[NH+](C)C ZINC001375098244 1158312135 /nfs/dbraw/zinc/31/21/35/1158312135.db2.gz IPNRPRQPIHZOJK-KXKDPZRNSA-N 1 3 303.450 2.088 20 0 DEADHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)Cc1ccc(F)cc1 ZINC001394120494 1158312581 /nfs/dbraw/zinc/31/25/81/1158312581.db2.gz CHXHZFODKDDOLH-ZBFHGGJFSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)Cc1ccc(F)cc1 ZINC001394120494 1158312585 /nfs/dbraw/zinc/31/25/85/1158312585.db2.gz CHXHZFODKDDOLH-ZBFHGGJFSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@@H](C[N@H+](C)CC1CCCCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001375102862 1158316904 /nfs/dbraw/zinc/31/69/04/1158316904.db2.gz MICLTAPKZWSYTH-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](C[N@@H+](C)CC1CCCCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001375102862 1158316912 /nfs/dbraw/zinc/31/69/12/1158316912.db2.gz MICLTAPKZWSYTH-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[N@H+](C)CCc1ccccc1F)N(C)C ZINC001394124771 1158318156 /nfs/dbraw/zinc/31/81/56/1158318156.db2.gz JWLBXZNCCXSYHN-WMLDXEAASA-N 1 3 323.456 2.145 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)CCc1ccccc1F)N(C)C ZINC001394124771 1158318164 /nfs/dbraw/zinc/31/81/64/1158318164.db2.gz JWLBXZNCCXSYHN-WMLDXEAASA-N 1 3 323.456 2.145 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[N@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001375156200 1158359715 /nfs/dbraw/zinc/35/97/15/1158359715.db2.gz CMVMXLBJINTCSC-ZIAGYGMSSA-N 1 3 319.440 2.199 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[N@@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001375156200 1158359723 /nfs/dbraw/zinc/35/97/23/1158359723.db2.gz CMVMXLBJINTCSC-ZIAGYGMSSA-N 1 3 319.440 2.199 20 0 DEADHO C[C@H](C[N@H+](C)CC1CC1)NC(=O)c1cccc(CN(C)C)c1 ZINC001375160712 1158362771 /nfs/dbraw/zinc/36/27/71/1158362771.db2.gz SFMDYAJPTRNAMW-CQSZACIVSA-N 1 3 303.450 2.208 20 0 DEADHO C[C@H](C[N@@H+](C)CC1CC1)NC(=O)c1cccc(CN(C)C)c1 ZINC001375160712 1158362777 /nfs/dbraw/zinc/36/27/77/1158362777.db2.gz SFMDYAJPTRNAMW-CQSZACIVSA-N 1 3 303.450 2.208 20 0 DEADHO Cc1cccc(C)c1C[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001394528392 1158613173 /nfs/dbraw/zinc/61/31/73/1158613173.db2.gz DQEWAVKTJMSZDK-OAHLLOKOSA-N 1 3 314.433 2.206 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2cccc(F)c2)C[C@@H]1C ZINC001394667366 1158661928 /nfs/dbraw/zinc/66/19/28/1158661928.db2.gz IVFPDZGXWMFTOA-YOEHRIQHSA-N 1 3 321.440 2.247 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2cccc(F)c2)C[C@@H]1C ZINC001394667363 1158662090 /nfs/dbraw/zinc/66/20/90/1158662090.db2.gz IVFPDZGXWMFTOA-WMLDXEAASA-N 1 3 321.440 2.247 20 0 DEADHO C[NH+](C)CCCC(=O)NCC1(NCc2cccc(Cl)c2)CC1 ZINC001375468253 1158725611 /nfs/dbraw/zinc/72/56/11/1158725611.db2.gz CMLNQQQFTGUNMS-UHFFFAOYSA-N 1 3 323.868 2.420 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C[C@@H]1CCN1CC1CC1)[NH+]1CCCC1 ZINC001375482440 1158748723 /nfs/dbraw/zinc/74/87/23/1158748723.db2.gz WZDSLPOOLSLGJB-DLBZAZTESA-N 1 3 307.482 2.050 20 0 DEADHO CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001375988449 1159037712 /nfs/dbraw/zinc/03/77/12/1159037712.db2.gz LSXJBVTYDKKPLZ-KBPBESRZSA-N 1 3 319.440 2.056 20 0 DEADHO CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001375988449 1159037720 /nfs/dbraw/zinc/03/77/20/1159037720.db2.gz LSXJBVTYDKKPLZ-KBPBESRZSA-N 1 3 319.440 2.056 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC12CC[NH+](CC1CCCC1)CC2)N(C)C ZINC001376168269 1159187232 /nfs/dbraw/zinc/18/72/32/1159187232.db2.gz BZRMWFVNZVGJKL-IRXDYDNUSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CCc1cccs1)N(C)C ZINC001403580611 1163018477 /nfs/dbraw/zinc/01/84/77/1163018477.db2.gz YVCLUJMWGVPZCT-UKRRQHHQSA-N 1 3 311.495 2.067 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001376627664 1159614730 /nfs/dbraw/zinc/61/47/30/1159614730.db2.gz FFKRKROUUICSLS-NVXWUHKLSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001376627664 1159614739 /nfs/dbraw/zinc/61/47/39/1159614739.db2.gz FFKRKROUUICSLS-NVXWUHKLSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001376632330 1159621183 /nfs/dbraw/zinc/62/11/83/1159621183.db2.gz UTQRSRUYRYJLEZ-HZPDHXFCSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001376632330 1159621185 /nfs/dbraw/zinc/62/11/85/1159621185.db2.gz UTQRSRUYRYJLEZ-HZPDHXFCSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@@H](F)C[NH2+]C1(CNC(=O)C(C)(C)N2CCCC2)CCC1 ZINC001376769640 1159782052 /nfs/dbraw/zinc/78/20/52/1159782052.db2.gz IQRKEKMZYPPBSB-CQSZACIVSA-N 1 3 313.461 2.237 20 0 DEADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1csc(C)c1)N(C)C ZINC001377109953 1159906871 /nfs/dbraw/zinc/90/68/71/1159906871.db2.gz YUUCGUJERSDOJY-WFASDCNBSA-N 1 3 311.495 2.381 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[N@H+](C)[C@H]1CCc2ccccc21)N(C)C ZINC001377172809 1160010392 /nfs/dbraw/zinc/01/03/92/1160010392.db2.gz JHGKWEXYCMEFLW-ROUUACIJSA-N 1 3 317.477 2.308 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[N@@H+](C)[C@H]1CCc2ccccc21)N(C)C ZINC001377172809 1160010403 /nfs/dbraw/zinc/01/04/03/1160010403.db2.gz JHGKWEXYCMEFLW-ROUUACIJSA-N 1 3 317.477 2.308 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CC[N@H+](CCCC2CCC2)C1)N(C)C ZINC001377468369 1160397248 /nfs/dbraw/zinc/39/72/48/1160397248.db2.gz MCWBGWNANRJNMS-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](CCCC2CCC2)C1)N(C)C ZINC001377468369 1160397257 /nfs/dbraw/zinc/39/72/57/1160397257.db2.gz MCWBGWNANRJNMS-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccccc1F ZINC001377488440 1160421051 /nfs/dbraw/zinc/42/10/51/1160421051.db2.gz LFTUNGXJRIEUKN-GJZGRUSLSA-N 1 3 321.440 2.152 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](CC[C@H](C)F)C1CC1 ZINC001377565221 1160550359 /nfs/dbraw/zinc/55/03/59/1160550359.db2.gz AILZKFJDRITZIG-HOCLYGCPSA-N 1 3 313.461 2.190 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](CC[C@H](C)F)C1CC1 ZINC001377565221 1160550369 /nfs/dbraw/zinc/55/03/69/1160550369.db2.gz AILZKFJDRITZIG-HOCLYGCPSA-N 1 3 313.461 2.190 20 0 DEADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001377714617 1160775123 /nfs/dbraw/zinc/77/51/23/1160775123.db2.gz CFZJYRQQXLODAC-GOSISDBHSA-N 1 3 317.477 2.357 20 0 DEADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001377714617 1160775140 /nfs/dbraw/zinc/77/51/40/1160775140.db2.gz CFZJYRQQXLODAC-GOSISDBHSA-N 1 3 317.477 2.357 20 0 DEADHO C[C@@H]1C[C@H](NC/C=C/Cl)CN1C(=O)CCC[NH+]1CCCC1 ZINC001403768061 1163157155 /nfs/dbraw/zinc/15/71/55/1163157155.db2.gz GYOIDFYYPFJRFA-ZWXLGZMVSA-N 1 3 313.873 2.194 20 0 DEADHO CC1CC(C[NH2+]CC(C)(C)CN(C)C(=O)CN2CC[C@@H](C)C2)C1 ZINC001377963602 1160884895 /nfs/dbraw/zinc/88/48/95/1160884895.db2.gz XICFPJXDBQLZCC-KLAILNCOSA-N 1 3 323.525 2.449 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(C)c(C)c1)N(C)C ZINC001398973142 1161173370 /nfs/dbraw/zinc/17/33/70/1161173370.db2.gz JOXDIGCPFUHAAH-DOTOQJQBSA-N 1 3 305.466 2.238 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC1CCC2(CC2)CC1 ZINC001399011434 1161188516 /nfs/dbraw/zinc/18/85/16/1161188516.db2.gz BIORVUOTYPYIMM-HOTGVXAUSA-N 1 3 321.509 2.393 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]Cc1ccc(F)cc1 ZINC001399022953 1161193523 /nfs/dbraw/zinc/19/35/23/1161193523.db2.gz MCEAKCWOJRGLJS-CQSZACIVSA-N 1 3 321.440 2.294 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)c(C)c1 ZINC001399089198 1161225099 /nfs/dbraw/zinc/22/50/99/1161225099.db2.gz GLMRUTBWMPQBQX-SJLPKXTDSA-N 1 3 319.493 2.484 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]C/C=C/c1ccccc1)N(C)C ZINC001399110510 1161239459 /nfs/dbraw/zinc/23/94/59/1161239459.db2.gz RJMBTVVPSAZTJE-CTOFXIGKSA-N 1 3 317.477 2.380 20 0 DEADHO Cc1cc(C)cc(C[NH2+][C@@H](C)CNC(=O)CN(C)C(C)C)c1 ZINC001399172286 1161267725 /nfs/dbraw/zinc/26/77/25/1161267725.db2.gz USPWPJDXRUNIRI-INIZCTEOSA-N 1 3 305.466 2.238 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccsc1)N(C)C ZINC001399419448 1161385110 /nfs/dbraw/zinc/38/51/10/1161385110.db2.gz OMRQEBWSZHXPNP-DZGCQCFKSA-N 1 3 311.495 2.319 20 0 DEADHO CN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)Cc1ccc(CF)cc1 ZINC001399637886 1161492791 /nfs/dbraw/zinc/49/27/91/1161492791.db2.gz GTMLAFVKVUXCKP-QGZVFWFLSA-N 1 3 321.440 2.046 20 0 DEADHO CN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)Cc1ccc(CF)cc1 ZINC001399637886 1161492794 /nfs/dbraw/zinc/49/27/94/1161492794.db2.gz GTMLAFVKVUXCKP-QGZVFWFLSA-N 1 3 321.440 2.046 20 0 DEADHO CC(C)CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001400580601 1161775974 /nfs/dbraw/zinc/77/59/74/1161775974.db2.gz OPGMCLVFUJCHEU-IKGGRYGDSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001400580601 1161775976 /nfs/dbraw/zinc/77/59/76/1161775976.db2.gz OPGMCLVFUJCHEU-IKGGRYGDSA-N 1 3 307.482 2.050 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+][C@H](C)c1ccccc1 ZINC001401146244 1161882349 /nfs/dbraw/zinc/88/23/49/1161882349.db2.gz FUCHXVYMRCNCCJ-ZIAGYGMSSA-N 1 3 314.433 2.364 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001401244041 1161902929 /nfs/dbraw/zinc/90/29/29/1161902929.db2.gz RHUIQVRPTZQTOE-BBRMVZONSA-N 1 3 309.429 2.102 20 0 DEADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H]1CCc2ccccc21 ZINC001401266673 1161910120 /nfs/dbraw/zinc/91/01/20/1161910120.db2.gz NBMZWVXAOLUXIU-MAUKXSAKSA-N 1 3 317.477 2.451 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]C[C@H]1CCCC(F)(F)C1)N(C)C ZINC001401632338 1162052366 /nfs/dbraw/zinc/05/23/66/1162052366.db2.gz FXKPHGRMNTZMRC-HZSPNIEDSA-N 1 3 319.440 2.246 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001401675293 1162070495 /nfs/dbraw/zinc/07/04/95/1162070495.db2.gz UCIZGYFACJXXLS-CXAGYDPISA-N 1 3 321.440 2.248 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccccc2)CC1 ZINC001401953329 1162194893 /nfs/dbraw/zinc/19/48/93/1162194893.db2.gz WBPCASGXZIOTJP-KRWDZBQOSA-N 1 3 315.461 2.299 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC2(C1)CC[NH+](CC1CC1)CC2 ZINC001402010381 1162215190 /nfs/dbraw/zinc/21/51/90/1162215190.db2.gz YYPPENUXWBHYAN-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001402051189 1162229470 /nfs/dbraw/zinc/22/94/70/1162229470.db2.gz PUCLWNZINRUAHH-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CCN(CCNC(=O)CC[NH+](C)C)[C@@H]1CCc2ccc(F)cc21 ZINC001403903482 1163280350 /nfs/dbraw/zinc/28/03/50/1163280350.db2.gz FFJLQJQTRAUDFG-QGZVFWFLSA-N 1 3 321.440 2.203 20 0 DEADHO CC(C)C[NH2+][C@@H](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001404332794 1163589558 /nfs/dbraw/zinc/58/95/58/1163589558.db2.gz LCBBHXULKUYVTM-HNNXBMFYSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001405866524 1164298940 /nfs/dbraw/zinc/29/89/40/1164298940.db2.gz LXNKVXUIVGOABP-PBHICJAKSA-N 1 3 315.477 2.291 20 0 DEADHO C[C@H]([NH2+]CCC1CC1)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001406012071 1164387455 /nfs/dbraw/zinc/38/74/55/1164387455.db2.gz XFPNZADSRVONIZ-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1ccc(CN(C)CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)c(C)c1 ZINC001406163670 1164486961 /nfs/dbraw/zinc/48/69/61/1164486961.db2.gz KDSATCPCOPYLTF-GOSISDBHSA-N 1 3 317.477 2.145 20 0 DEADHO Cc1ccc(CN(C)CCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)c(C)c1 ZINC001406163670 1164486964 /nfs/dbraw/zinc/48/69/64/1164486964.db2.gz KDSATCPCOPYLTF-GOSISDBHSA-N 1 3 317.477 2.145 20 0 DEADHO C[C@@H](CNCc1ccccc1Cl)NC(=O)C12CC[NH+](CC1)C2 ZINC001406547488 1164670625 /nfs/dbraw/zinc/67/06/25/1164670625.db2.gz WEVZGLVCCTZIFM-ZDUSSCGKSA-N 1 3 321.852 2.030 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]C/C=C\Cl)[C@@H](CC)C1 ZINC001406811071 1164837216 /nfs/dbraw/zinc/83/72/16/1164837216.db2.gz PXSYXLXHIPBAQF-MSSSOJMCSA-N 1 3 315.889 2.297 20 0 DEADHO CC(C)(C(=O)NCC1([NH2+]Cc2ccccc2)CC1)N1CCCC1 ZINC001406958359 1164893318 /nfs/dbraw/zinc/89/33/18/1164893318.db2.gz SEPHQXYTMQSCRG-UHFFFAOYSA-N 1 3 315.461 2.299 20 0 DEADHO Cc1cc(CNC2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)c(C)s1 ZINC001407012868 1164924102 /nfs/dbraw/zinc/92/41/02/1164924102.db2.gz KFDUAQNISPWQRY-AWEZNQCLSA-N 1 3 321.490 2.055 20 0 DEADHO Cc1cc(CNC2(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)c(C)s1 ZINC001407012868 1164924109 /nfs/dbraw/zinc/92/41/09/1164924109.db2.gz KFDUAQNISPWQRY-AWEZNQCLSA-N 1 3 321.490 2.055 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CCC(C)(C)C)CCN1C(=O)CN1CCCC1 ZINC001407080526 1164959515 /nfs/dbraw/zinc/95/95/15/1164959515.db2.gz CZKIZMYFZYPQRA-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](F)C[NH+]1CCC(C)(CNC(=O)CN(C)C(C)C)CC1 ZINC001407268678 1165076662 /nfs/dbraw/zinc/07/66/62/1165076662.db2.gz HVBORZZNLYLONU-OAHLLOKOSA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@@H](C(=O)NCC1(C)CC[NH+](CC[C@@H](C)F)CC1)N(C)C ZINC001407272916 1165079297 /nfs/dbraw/zinc/07/92/97/1165079297.db2.gz HVZRYRCENUXUBP-CABCVRRESA-N 1 3 315.477 2.293 20 0 DEADHO C[NH+](C)CCC(=O)N1CCC[C@H]2[C@H]1CCN2Cc1ccsc1 ZINC001407654256 1165243121 /nfs/dbraw/zinc/24/31/21/1165243121.db2.gz HUZUUXXBLHWZSX-JKSUJKDBSA-N 1 3 321.490 2.265 20 0 DEADHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC1CC2(CCC2)C1 ZINC001408211735 1165534101 /nfs/dbraw/zinc/53/41/01/1165534101.db2.gz KJQSEDYGZGTDLP-CVEARBPZSA-N 1 3 321.509 2.393 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]([C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001408358151 1165612921 /nfs/dbraw/zinc/61/29/21/1165612921.db2.gz OFSCMJQVEGBLSX-ROUUACIJSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]([C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001408358151 1165612922 /nfs/dbraw/zinc/61/29/22/1165612922.db2.gz OFSCMJQVEGBLSX-ROUUACIJSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@@H](CC[NH+](C)C)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC001417643840 1167104814 /nfs/dbraw/zinc/10/48/14/1167104814.db2.gz IVNMFJDQVITHEB-HOTGVXAUSA-N 1 3 305.466 2.211 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2C)C1)N(C)C ZINC001417776458 1167205406 /nfs/dbraw/zinc/20/54/06/1167205406.db2.gz GBMVXMSNWRCSAD-BPQIPLTHSA-N 1 3 317.477 2.320 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCc2ccccc2)C1)N(C)C ZINC001417790715 1167215807 /nfs/dbraw/zinc/21/58/07/1167215807.db2.gz DQTGCHCMFQUNRS-BZSNNMDCSA-N 1 3 317.477 2.054 20 0 DEADHO O=C(CCC[NH+]1CCCCC1)N[C@H]1CCCN(CCCF)C1 ZINC001417915616 1167305222 /nfs/dbraw/zinc/30/52/22/1167305222.db2.gz ZSSHSIUEEBOEPA-INIZCTEOSA-N 1 3 313.461 2.193 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001418120964 1167423253 /nfs/dbraw/zinc/42/32/53/1167423253.db2.gz COWRNHDMSVKVNH-IAGOWNOFSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001418120964 1167423260 /nfs/dbraw/zinc/42/32/60/1167423260.db2.gz COWRNHDMSVKVNH-IAGOWNOFSA-N 1 3 311.514 2.447 20 0 DEADHO C[C@@H](N[C@@H](C)CNC(=O)CC[NH+](C)C)c1ccccc1Cl ZINC001418270213 1167535034 /nfs/dbraw/zinc/53/50/34/1167535034.db2.gz UAEUORJXTNNXOP-QWHCGFSZSA-N 1 3 311.857 2.447 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001418329576 1167580355 /nfs/dbraw/zinc/58/03/55/1167580355.db2.gz CFNGPPASARLDFF-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[C@H](C)C[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001418329577 1167580837 /nfs/dbraw/zinc/58/08/37/1167580837.db2.gz CFNGPPASARLDFF-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO CC[N@@H+](C/C=C/c1ccccc1)CCNC(=O)[C@H]1CCCN1C ZINC001418560178 1167812850 /nfs/dbraw/zinc/81/28/50/1167812850.db2.gz QLZMKOUVTFTDLF-JGZYNSJSSA-N 1 3 315.461 2.232 20 0 DEADHO CC[N@H+](C/C=C/c1ccccc1)CCNC(=O)[C@H]1CCCN1C ZINC001418560178 1167812853 /nfs/dbraw/zinc/81/28/53/1167812853.db2.gz QLZMKOUVTFTDLF-JGZYNSJSSA-N 1 3 315.461 2.232 20 0 DEADHO CN(CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1)C1CCC1 ZINC001418679958 1167881921 /nfs/dbraw/zinc/88/19/21/1167881921.db2.gz DGQTZDZYYLRPDQ-QAQDUYKDSA-N 1 3 315.461 2.155 20 0 DEADHO CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001418740250 1167932758 /nfs/dbraw/zinc/93/27/58/1167932758.db2.gz PTXYFLCPQUASML-IAGOWNOFSA-N 1 3 321.440 2.071 20 0 DEADHO CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](CC2CCC2)C1)N(CC)CC ZINC001419121496 1168227248 /nfs/dbraw/zinc/22/72/48/1168227248.db2.gz LRRBAPQGRXOYGU-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CC2CCC2)C1)N(CC)CC ZINC001419121496 1168227260 /nfs/dbraw/zinc/22/72/60/1168227260.db2.gz LRRBAPQGRXOYGU-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C)C[N@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001419337033 1168409392 /nfs/dbraw/zinc/40/93/92/1168409392.db2.gz QPNGRWGNJQLBCE-HUUCEWRRSA-N 1 3 306.454 2.169 20 0 DEADHO CC[C@@H](C)C[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001419337033 1168409397 /nfs/dbraw/zinc/40/93/97/1168409397.db2.gz QPNGRWGNJQLBCE-HUUCEWRRSA-N 1 3 306.454 2.169 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]([NH2+]C/C=C/Cl)C2)c1 ZINC001419432047 1168470135 /nfs/dbraw/zinc/47/01/35/1168470135.db2.gz AQJOFHRIEHGUFO-USIIKYMESA-N 1 3 321.852 2.351 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001419521857 1168573003 /nfs/dbraw/zinc/57/30/03/1168573003.db2.gz WUVSNXRXOCDCCS-IYBDPMFKSA-N 1 3 323.868 2.417 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1c(C)cccc1C)N(C)C ZINC001419527912 1168576480 /nfs/dbraw/zinc/57/64/80/1168576480.db2.gz KERFYNFYXUQNPL-KSSFIOAISA-N 1 3 319.493 2.486 20 0 DEADHO Cn1nccc1[C@@H]1OCC[C@@H]1[NH2+]C1CCN(C(C)(C)C)CC1 ZINC001548390150 1168590222 /nfs/dbraw/zinc/59/02/22/1168590222.db2.gz KRWZAIGWHBQSNR-GOEBONIOSA-N 1 3 306.454 2.103 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001419931874 1168951049 /nfs/dbraw/zinc/95/10/49/1168951049.db2.gz GNTMUDPBJKLYDM-ZDUSSCGKSA-N 1 3 311.857 2.275 20 0 DEADHO CCc1ccccc1C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001419952019 1168999002 /nfs/dbraw/zinc/99/90/02/1168999002.db2.gz GKMNJAHKZSOLHN-SFHVURJKSA-N 1 3 317.477 2.233 20 0 DEADHO CCc1ccccc1C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001419952019 1168999009 /nfs/dbraw/zinc/99/90/09/1168999009.db2.gz GKMNJAHKZSOLHN-SFHVURJKSA-N 1 3 317.477 2.233 20 0 DEADHO CC[C@H](c1ccc(F)cc1)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001420347882 1169385715 /nfs/dbraw/zinc/38/57/15/1169385715.db2.gz TUHGWASRUSBCEB-NVXWUHKLSA-N 1 3 321.440 2.277 20 0 DEADHO CC[C@H](c1ccc(F)cc1)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001420347882 1169385723 /nfs/dbraw/zinc/38/57/23/1169385723.db2.gz TUHGWASRUSBCEB-NVXWUHKLSA-N 1 3 321.440 2.277 20 0 DEADHO CCN(CCNC(=O)C[N@@H+]1CC[C@H](C)C1)Cc1cccc(F)c1 ZINC001420425358 1169526450 /nfs/dbraw/zinc/52/64/50/1169526450.db2.gz YYLZUUBDKJHRJA-HNNXBMFYSA-N 1 3 321.440 2.106 20 0 DEADHO CCN(CCNC(=O)C[N@H+]1CC[C@H](C)C1)Cc1cccc(F)c1 ZINC001420425358 1169526461 /nfs/dbraw/zinc/52/64/61/1169526461.db2.gz YYLZUUBDKJHRJA-HNNXBMFYSA-N 1 3 321.440 2.106 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@@H](C)[NH2+]CCF)CC1 ZINC001420762878 1171123853 /nfs/dbraw/zinc/12/38/53/1171123853.db2.gz HRVJUEQRGHMPGF-GDBMZVCRSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)C[C@H](C)CN1CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001420874133 1171308470 /nfs/dbraw/zinc/30/84/70/1171308470.db2.gz SISSXIXBFQBKOK-DLBZAZTESA-N 1 3 321.509 2.488 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001420967192 1171386132 /nfs/dbraw/zinc/38/61/32/1171386132.db2.gz VLUKNVBRLJLQLD-MYEIUBSTSA-N 1 3 313.873 2.194 20 0 DEADHO CC(C)[C@H](C(=O)NCC1(C)CC[NH+](CC2CC2)CC1)N(C)C ZINC001421274410 1171659025 /nfs/dbraw/zinc/65/90/25/1171659025.db2.gz QVUXPLVFIXIBQG-MRXNPFEDSA-N 1 3 309.498 2.201 20 0 DEADHO CC[NH2+][C@H](CNC(=O)CN1CC[C@H](C)C1)c1ccccc1CC ZINC001421523395 1171833466 /nfs/dbraw/zinc/83/34/66/1171833466.db2.gz IGLKAWRPFKHMNI-MAUKXSAKSA-N 1 3 317.477 2.358 20 0 DEADHO CCCN1Cc2ccc(CNC(=O)C[C@H]3CC[N@H+](C)C3)cc2C1 ZINC001422010164 1172227555 /nfs/dbraw/zinc/22/75/55/1172227555.db2.gz LHNBFCADLHXCLC-MRXNPFEDSA-N 1 3 315.461 2.370 20 0 DEADHO CCCN1Cc2ccc(CNC(=O)C[C@H]3CC[N@@H+](C)C3)cc2C1 ZINC001422010164 1172227562 /nfs/dbraw/zinc/22/75/62/1172227562.db2.gz LHNBFCADLHXCLC-MRXNPFEDSA-N 1 3 315.461 2.370 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2cccc(F)c2)[C@@H](C)C1 ZINC001422042470 1172251337 /nfs/dbraw/zinc/25/13/37/1172251337.db2.gz DXSPECXOMQMELG-YOEHRIQHSA-N 1 3 321.440 2.104 20 0 DEADHO CC(C)[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)NCCF ZINC001422122553 1172321027 /nfs/dbraw/zinc/32/10/27/1172321027.db2.gz HETOUZMRRUGOGM-OAHLLOKOSA-N 1 3 315.477 2.198 20 0 DEADHO C[N@@H+]1CC[C@@H]2CN(CCc3ccc4c(c3)OC(F)(F)O4)C[C@@H]2C1 ZINC001422144580 1172342598 /nfs/dbraw/zinc/34/25/98/1172342598.db2.gz UAHNSCUVPSZROJ-KGLIPLIRSA-N 1 3 324.371 2.434 20 0 DEADHO C[N@H+]1CC[C@@H]2CN(CCc3ccc4c(c3)OC(F)(F)O4)C[C@@H]2C1 ZINC001422144580 1172342605 /nfs/dbraw/zinc/34/26/05/1172342605.db2.gz UAHNSCUVPSZROJ-KGLIPLIRSA-N 1 3 324.371 2.434 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC2CCC2)C1 ZINC001422250341 1172437092 /nfs/dbraw/zinc/43/70/92/1172437092.db2.gz SKOCNXIZLPGTBK-IAGOWNOFSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC2CCC2)C1 ZINC001422250341 1172437095 /nfs/dbraw/zinc/43/70/95/1172437095.db2.gz SKOCNXIZLPGTBK-IAGOWNOFSA-N 1 3 307.482 2.050 20 0 DEADHO C[C@H](CN[C@H](C)c1ccccc1Cl)NC(=O)CC[NH+](C)C ZINC001422555485 1172704747 /nfs/dbraw/zinc/70/47/47/1172704747.db2.gz YTIRVEFVLQZQRW-CHWSQXEVSA-N 1 3 311.857 2.447 20 0 DEADHO C[C@H](CNCc1ccccc1F)NC(=O)CC[NH+]1CCCCC1 ZINC001422595952 1172744901 /nfs/dbraw/zinc/74/49/01/1172744901.db2.gz ALWWFAWEXZLXPS-OAHLLOKOSA-N 1 3 321.440 2.296 20 0 DEADHO CCc1ccccc1CNC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001422605672 1172753662 /nfs/dbraw/zinc/75/36/62/1172753662.db2.gz JMMBQOSBMAVAAE-UHFFFAOYSA-N 1 3 317.477 2.281 20 0 DEADHO C[C@@H](F)CC[NH2+][C@@H](C)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001423133147 1173100908 /nfs/dbraw/zinc/10/09/08/1173100908.db2.gz QCVGRSSFUWJILW-KGLIPLIRSA-N 1 3 303.466 2.149 20 0 DEADHO CCN1CCC[C@H]1C[N@H+](CCN(C)C)CC1CCSCC1 ZINC001423194668 1173159412 /nfs/dbraw/zinc/15/94/12/1173159412.db2.gz INVTYIOZEPDMAY-KRWDZBQOSA-N 1 3 313.555 2.478 20 0 DEADHO CCN1CCC[C@H]1C[N@@H+](CCN(C)C)CC1CCSCC1 ZINC001423194668 1173159415 /nfs/dbraw/zinc/15/94/15/1173159415.db2.gz INVTYIOZEPDMAY-KRWDZBQOSA-N 1 3 313.555 2.478 20 0 DEADHO CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C2 ZINC001423963980 1173593443 /nfs/dbraw/zinc/59/34/43/1173593443.db2.gz PHYVVGRSBPRWIV-MUJYYYPQSA-N 1 3 307.482 2.240 20 0 DEADHO CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C2 ZINC001423963980 1173593447 /nfs/dbraw/zinc/59/34/47/1173593447.db2.gz PHYVVGRSBPRWIV-MUJYYYPQSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001424038589 1173623906 /nfs/dbraw/zinc/62/39/06/1173623906.db2.gz HFMVEJMDIDHGKA-JKSUJKDBSA-N 1 3 311.514 2.304 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C)c(F)c1 ZINC001424853509 1173989501 /nfs/dbraw/zinc/98/95/01/1173989501.db2.gz UXPZBODCYRAMAP-CABCVRRESA-N 1 3 323.456 2.459 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]CC1CC1)C1CC1 ZINC001425482363 1174336655 /nfs/dbraw/zinc/33/66/55/1174336655.db2.gz DQDHEWORDFSLCV-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@H](C)C[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC001425950077 1174531121 /nfs/dbraw/zinc/53/11/21/1174531121.db2.gz CVQUZCFWCLSJEW-HOCLYGCPSA-N 1 3 309.498 2.343 20 0 DEADHO CCCC[NH+]1CCC([C@H](C)NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001426193971 1174640104 /nfs/dbraw/zinc/64/01/04/1174640104.db2.gz SHZXNXHSDOGSKA-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CN(CCCN(C)C(=O)C1([NH+](C)C)CCCC1)Cc1ccco1 ZINC001433966899 1178094040 /nfs/dbraw/zinc/09/40/40/1178094040.db2.gz FKWRVNUEGDGOQI-UHFFFAOYSA-N 1 3 321.465 2.434 20 0 DEADHO CC(C)N1CC[C@H]1CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001436321950 1179039240 /nfs/dbraw/zinc/03/92/40/1179039240.db2.gz OSFWFOILBDMRFB-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[N@H+](C)CCCF ZINC001436493643 1179147623 /nfs/dbraw/zinc/14/76/23/1179147623.db2.gz ARFUOSHXLRIILX-HNNXBMFYSA-N 1 3 301.450 2.001 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[N@@H+](C)CCCF ZINC001436493643 1179147634 /nfs/dbraw/zinc/14/76/34/1179147634.db2.gz ARFUOSHXLRIILX-HNNXBMFYSA-N 1 3 301.450 2.001 20 0 DEADHO CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001436745083 1179212579 /nfs/dbraw/zinc/21/25/79/1179212579.db2.gz MFZVQFGIASVIKJ-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001436745083 1179212592 /nfs/dbraw/zinc/21/25/92/1179212592.db2.gz MFZVQFGIASVIKJ-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]C/C=C\c2ccccc2)C1)N(C)C ZINC001436917636 1179301459 /nfs/dbraw/zinc/30/14/59/1179301459.db2.gz ZIXRPWMSLMWRRH-UJEQSORNSA-N 1 3 315.461 2.277 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C1)N(C)C ZINC001436978282 1179327475 /nfs/dbraw/zinc/32/74/75/1179327475.db2.gz ZSYLZUDZUAUWNE-ZKLCHKPXSA-N 1 3 309.498 2.390 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)Cc1ccccc1 ZINC001437480448 1179818941 /nfs/dbraw/zinc/81/89/41/1179818941.db2.gz LLRMFYGGVAFIFI-GOSISDBHSA-N 1 3 317.477 2.355 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCN(C)Cc1ccccc1 ZINC001437480448 1179818943 /nfs/dbraw/zinc/81/89/43/1179818943.db2.gz LLRMFYGGVAFIFI-GOSISDBHSA-N 1 3 317.477 2.355 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1C ZINC001437542881 1179840811 /nfs/dbraw/zinc/84/08/11/1179840811.db2.gz WDXLUJSNUCMITE-SFHVURJKSA-N 1 3 317.477 2.193 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1C ZINC001437542881 1179840815 /nfs/dbraw/zinc/84/08/15/1179840815.db2.gz WDXLUJSNUCMITE-SFHVURJKSA-N 1 3 317.477 2.193 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001437733831 1179917742 /nfs/dbraw/zinc/91/77/42/1179917742.db2.gz AKNXTKDRRDOBNS-MRXNPFEDSA-N 1 3 318.465 2.279 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001437733831 1179917753 /nfs/dbraw/zinc/91/77/53/1179917753.db2.gz AKNXTKDRRDOBNS-MRXNPFEDSA-N 1 3 318.465 2.279 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+](CCc2cccs2)C1 ZINC001437738442 1179927807 /nfs/dbraw/zinc/92/78/07/1179927807.db2.gz JPYPMOFVBORRTL-HNNXBMFYSA-N 1 3 323.506 2.071 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+](CCc2cccs2)C1 ZINC001437738442 1179927816 /nfs/dbraw/zinc/92/78/16/1179927816.db2.gz JPYPMOFVBORRTL-HNNXBMFYSA-N 1 3 323.506 2.071 20 0 DEADHO CC1CC(C[N@H+](CCNC(=O)C2(N(C)C)CCC2)C2CC2)C1 ZINC001437788810 1179992172 /nfs/dbraw/zinc/99/21/72/1179992172.db2.gz CCRYDSMQNLSODD-UHFFFAOYSA-N 1 3 307.482 2.097 20 0 DEADHO CC1CC(C[N@@H+](CCNC(=O)C2(N(C)C)CCC2)C2CC2)C1 ZINC001437788810 1179992178 /nfs/dbraw/zinc/99/21/78/1179992178.db2.gz CCRYDSMQNLSODD-UHFFFAOYSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC[N@H+](CC1CCC1)C1CC1 ZINC001437811362 1180005509 /nfs/dbraw/zinc/00/55/09/1180005509.db2.gz HFKJDKUHYMSMNV-GASCZTMLSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC[N@@H+](CC1CCC1)C1CC1 ZINC001437811362 1180005521 /nfs/dbraw/zinc/00/55/21/1180005521.db2.gz HFKJDKUHYMSMNV-GASCZTMLSA-N 1 3 307.482 2.240 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]([NH2+]CC(C)C)c1ccccc1)N(C)C ZINC001437871553 1180039926 /nfs/dbraw/zinc/03/99/26/1180039926.db2.gz LGPDVYGSLKOKCW-IRXDYDNUSA-N 1 3 305.466 2.430 20 0 DEADHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCc1cccs1 ZINC001438332981 1180351653 /nfs/dbraw/zinc/35/16/53/1180351653.db2.gz MSSQJTRLJFXDDG-GJZGRUSLSA-N 1 3 323.506 2.117 20 0 DEADHO CC[C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)NCCF ZINC001438336823 1180354228 /nfs/dbraw/zinc/35/42/28/1180354228.db2.gz WSXGRCQMOHOKPM-ZDUSSCGKSA-N 1 3 301.450 2.093 20 0 DEADHO CC[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)NCCF ZINC001438336823 1180354241 /nfs/dbraw/zinc/35/42/41/1180354241.db2.gz WSXGRCQMOHOKPM-ZDUSSCGKSA-N 1 3 301.450 2.093 20 0 DEADHO Cc1cccc(C)c1C[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH]cn1 ZINC001438690566 1180766927 /nfs/dbraw/zinc/76/69/27/1180766927.db2.gz IADATDHKLHDQJK-OAHLLOKOSA-N 1 3 314.433 2.206 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN(C)Cc1ccccc1 ZINC001438875544 1180839698 /nfs/dbraw/zinc/83/96/98/1180839698.db2.gz JDAANHJBTTVXKN-GOSISDBHSA-N 1 3 317.477 2.450 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCN(C)Cc1ccccc1 ZINC001438875544 1180839700 /nfs/dbraw/zinc/83/97/00/1180839700.db2.gz JDAANHJBTTVXKN-GOSISDBHSA-N 1 3 317.477 2.450 20 0 DEADHO C[C@H](C(=O)NCC1(NC/C=C/Cl)CC1)[NH+]1CCCCCC1 ZINC001439661312 1181189318 /nfs/dbraw/zinc/18/93/18/1181189318.db2.gz YKCAGYLMSBCDRI-VIIAAUOXSA-N 1 3 313.873 2.242 20 0 DEADHO C[C@H](c1ccc(F)cc1)N(C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001440964388 1181801930 /nfs/dbraw/zinc/80/19/30/1181801930.db2.gz ULJJCBVJKFEZEZ-UONOGXRCSA-N 1 3 309.429 2.275 20 0 DEADHO Cc1ccc(CN(C)[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1F ZINC001441010198 1181825069 /nfs/dbraw/zinc/82/50/69/1181825069.db2.gz JXAPMWXUBLIGOX-GOEBONIOSA-N 1 3 321.440 2.022 20 0 DEADHO Cc1ccc(CN(C)[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1F ZINC001441010198 1181825071 /nfs/dbraw/zinc/82/50/71/1181825071.db2.gz JXAPMWXUBLIGOX-GOEBONIOSA-N 1 3 321.440 2.022 20 0 DEADHO CN(C)C1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CCC2)CCC1 ZINC001441443421 1181997750 /nfs/dbraw/zinc/99/77/50/1181997750.db2.gz BSAKFXJGZQVFQG-ALOPSCKCSA-N 1 3 319.493 2.382 20 0 DEADHO CN(C)C1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CCC2)CCC1 ZINC001441443421 1181997753 /nfs/dbraw/zinc/99/77/53/1181997753.db2.gz BSAKFXJGZQVFQG-ALOPSCKCSA-N 1 3 319.493 2.382 20 0 DEADHO CC[C@@H](C)C[NH2+][C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001442075137 1182309362 /nfs/dbraw/zinc/30/93/62/1182309362.db2.gz BIDFTCRDQKMYLN-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001442158523 1182350322 /nfs/dbraw/zinc/35/03/22/1182350322.db2.gz XFCBKHHBTMPEEW-QGZVFWFLSA-N 1 3 317.477 2.456 20 0 DEADHO CC[NH+]1CCC([C@H](C)NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001442209953 1182368164 /nfs/dbraw/zinc/36/81/64/1182368164.db2.gz PBRZBUJSYVTTHT-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001443423332 1182973275 /nfs/dbraw/zinc/97/32/75/1182973275.db2.gz RMKDGDAHZFGDEN-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001443423332 1182973279 /nfs/dbraw/zinc/97/32/79/1182973279.db2.gz RMKDGDAHZFGDEN-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001443423332 1182973285 /nfs/dbraw/zinc/97/32/85/1182973285.db2.gz RMKDGDAHZFGDEN-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](C[NH2+]CC1CCCCC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001444640698 1183493630 /nfs/dbraw/zinc/49/36/30/1183493630.db2.gz VZNCOBYFYJEWEB-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1ccc(F)c(CN[C@H](CNC(=O)CC[NH+](C)C)C(C)C)c1 ZINC001444896813 1183628067 /nfs/dbraw/zinc/62/80/67/1183628067.db2.gz BZPWPGYEPSCBMU-QGZVFWFLSA-N 1 3 323.456 2.316 20 0 DEADHO CN(CCN(C)C(=O)CCC[NH+]1CCCC1)Cc1ccccc1 ZINC001445072826 1183758961 /nfs/dbraw/zinc/75/89/61/1183758961.db2.gz GXOVWMVRGKIHHD-UHFFFAOYSA-N 1 3 317.477 2.453 20 0 DEADHO C[C@@H](CN[C@@H](C)c1ccccc1F)NC(=O)CCC[NH+](C)C ZINC001445612390 1183936634 /nfs/dbraw/zinc/93/66/34/1183936634.db2.gz ZKOTYSLZVNYZGB-KBPBESRZSA-N 1 3 309.429 2.323 20 0 DEADHO CC(C)C[NH+]1CCC(C)(NC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001446478603 1184365629 /nfs/dbraw/zinc/36/56/29/1184365629.db2.gz RHJSIVINTDTAMA-IYBDPMFKSA-N 1 3 309.498 2.486 20 0 DEADHO CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001446663535 1184480440 /nfs/dbraw/zinc/48/04/40/1184480440.db2.gz FJNKOLHJSRRIRA-SJLPKXTDSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001446663535 1184480446 /nfs/dbraw/zinc/48/04/46/1184480446.db2.gz FJNKOLHJSRRIRA-SJLPKXTDSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001446955706 1184591024 /nfs/dbraw/zinc/59/10/24/1184591024.db2.gz OHZDTSUIMRVXHB-BCDXTJNWSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001446955706 1184591032 /nfs/dbraw/zinc/59/10/32/1184591032.db2.gz OHZDTSUIMRVXHB-BCDXTJNWSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)CCC1CCCC1 ZINC001448043394 1185043960 /nfs/dbraw/zinc/04/39/60/1185043960.db2.gz NZRIGLYGJXFFJT-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)CCC1CCCC1 ZINC001448043394 1185043966 /nfs/dbraw/zinc/04/39/66/1185043966.db2.gz NZRIGLYGJXFFJT-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCN2CCCC(C)(C)C2)C1 ZINC001448507219 1185264726 /nfs/dbraw/zinc/26/47/26/1185264726.db2.gz GPENVNJEELLDOA-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO CN(CC(=O)N(C)[C@H](C[NH2+]CC1CC1)C1CC1)CC(C)(C)C ZINC001448591073 1185309888 /nfs/dbraw/zinc/30/98/88/1185309888.db2.gz JLVXCEMXJGJVHQ-MRXNPFEDSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccc(F)cc1 ZINC001448729750 1185387087 /nfs/dbraw/zinc/38/70/87/1185387087.db2.gz UQMLNZZTWTVYBI-LSDHHAIUSA-N 1 3 321.440 2.104 20 0 DEADHO Cc1cnc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c(C[NH3+])c1 ZINC001164733864 720419361 /nfs/dbraw/zinc/41/93/61/720419361.db2.gz QIMYKUCHXVJMMH-ZWKOTPCHSA-N 1 3 323.444 2.097 20 0 DEADHO Cc1nc(N2CCCC2)cc(N2CCC(C[NH+](C)C)CC2)n1 ZINC001165043108 721942759 /nfs/dbraw/zinc/94/27/59/721942759.db2.gz VXNNXHBGOVPFFE-UHFFFAOYSA-N 1 3 303.454 2.163 20 0 DEADHO CC(C)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1)N(C)C ZINC001370584836 1149814093 /nfs/dbraw/zinc/81/40/93/1149814093.db2.gz REPGLSQDGQOMLO-HQSKLWIPSA-N 1 3 321.509 2.484 20 0 DEADHO CC(C)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1)N(C)C ZINC001370584836 1149814094 /nfs/dbraw/zinc/81/40/94/1149814094.db2.gz REPGLSQDGQOMLO-HQSKLWIPSA-N 1 3 321.509 2.484 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CC[N@H+](CC1CCCCC1)C2)N(C)C ZINC001072851000 790273092 /nfs/dbraw/zinc/27/30/92/790273092.db2.gz HFZUUIZGFFVLLZ-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](CC1CCCCC1)C2)N(C)C ZINC001072851000 790273094 /nfs/dbraw/zinc/27/30/94/790273094.db2.gz HFZUUIZGFFVLLZ-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CC[N@H+](CC1CC(C)(C)C1)C2)N(C)C ZINC001072850856 790273120 /nfs/dbraw/zinc/27/31/20/790273120.db2.gz BBTCSPUXDQSJTE-MRXNPFEDSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](CC1CC(C)(C)C1)C2)N(C)C ZINC001072850856 790273124 /nfs/dbraw/zinc/27/31/24/790273124.db2.gz BBTCSPUXDQSJTE-MRXNPFEDSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[N@H+](C)C[C@@H]1CCCCN1C(=O)CN1CCC(C)(C)C1 ZINC001089227613 782293507 /nfs/dbraw/zinc/29/35/07/782293507.db2.gz XOLYZFUQVJWODG-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN1CCC(C)(C)C1 ZINC001089227613 782293513 /nfs/dbraw/zinc/29/35/13/782293513.db2.gz XOLYZFUQVJWODG-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@H]1C[N@H+](C)CC1CC1 ZINC001089226785 782293947 /nfs/dbraw/zinc/29/39/47/782293947.db2.gz LTPVQZUASURNNC-WBVHZDCISA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CC1 ZINC001089226785 782293953 /nfs/dbraw/zinc/29/39/53/782293953.db2.gz LTPVQZUASURNNC-WBVHZDCISA-N 1 3 307.482 2.194 20 0 DEADHO Cc1cc(CNCCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)cs1 ZINC001127256531 782378812 /nfs/dbraw/zinc/37/88/12/782378812.db2.gz OUVCOPGYQNQPQG-HZPDHXFCSA-N 1 3 321.490 2.137 20 0 DEADHO Cc1cc(CNCCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)cs1 ZINC001127256531 782378813 /nfs/dbraw/zinc/37/88/13/782378813.db2.gz OUVCOPGYQNQPQG-HZPDHXFCSA-N 1 3 321.490 2.137 20 0 DEADHO CN(C)C1(C(=O)N[C@H](C[NH2+]C/C=C\Cl)C(C)(C)C)CCC1 ZINC001332807929 1149894478 /nfs/dbraw/zinc/89/44/78/1149894478.db2.gz SFFRUJWLYFVAEX-PGJNLMOESA-N 1 3 315.889 2.344 20 0 DEADHO CC[C@@H](F)C[N@@H+]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001407863806 1165353731 /nfs/dbraw/zinc/35/37/31/1165353731.db2.gz ZGYQDLONQAJEOD-CABCVRRESA-N 1 3 313.461 2.190 20 0 DEADHO CC[C@@H](F)C[N@H+]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001407863806 1165353736 /nfs/dbraw/zinc/35/37/36/1165353736.db2.gz ZGYQDLONQAJEOD-CABCVRRESA-N 1 3 313.461 2.190 20 0 DEADHO CN(CCC[N@@H+](C)CCc1cccs1)C(=O)[C@@H]1CCCN1C ZINC001407880427 1165363798 /nfs/dbraw/zinc/36/37/98/1165363798.db2.gz SWQHZKRVSIMZDN-INIZCTEOSA-N 1 3 323.506 2.165 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCCF)CC1(C)C)N(C)C ZINC001408148322 1165498072 /nfs/dbraw/zinc/49/80/72/1165498072.db2.gz YUJMZQHSLKTHBX-LSDHHAIUSA-N 1 3 315.477 2.149 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CCCF)CC1(C)C)N(C)C ZINC001408148322 1165498092 /nfs/dbraw/zinc/49/80/92/1165498092.db2.gz YUJMZQHSLKTHBX-LSDHHAIUSA-N 1 3 315.477 2.149 20 0 DEADHO CC(C)[NH2+][C@@H](C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001408213267 1165535057 /nfs/dbraw/zinc/53/50/57/1165535057.db2.gz WSFVZWMOVZWQPK-BBRMVZONSA-N 1 3 301.450 2.092 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@H]2CCC[N@H+](CC)C2)CC1 ZINC001408331807 1165594574 /nfs/dbraw/zinc/59/45/74/1165594574.db2.gz SAAZCUPHJCTDDB-KRWDZBQOSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@H]2CCC[N@@H+](CC)C2)CC1 ZINC001408331807 1165594583 /nfs/dbraw/zinc/59/45/83/1165594583.db2.gz SAAZCUPHJCTDDB-KRWDZBQOSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC001408350763 1165607200 /nfs/dbraw/zinc/60/72/00/1165607200.db2.gz BQGIBFBAMMUVPC-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H]2CC[N@H+](C(C)C)C2)C1 ZINC001408350763 1165607204 /nfs/dbraw/zinc/60/72/04/1165607204.db2.gz BQGIBFBAMMUVPC-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CC=C(C)C)C1 ZINC001333153137 1150008226 /nfs/dbraw/zinc/00/82/26/1150008226.db2.gz JDDDEQOAHWXFTP-OFLPRAFFSA-N 1 3 307.482 2.406 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC2CCC2)[C@H](C)C1 ZINC001106336557 782659496 /nfs/dbraw/zinc/65/94/96/782659496.db2.gz UDDOZZWFUMKCDM-GDBMZVCRSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001106672382 782844447 /nfs/dbraw/zinc/84/44/47/782844447.db2.gz SIDLBQCVWIWNJL-HZPDHXFCSA-N 1 3 309.498 2.058 20 0 DEADHO CCC[N@@H+]1CC[C@H](NC(=O)CN2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493645 783158835 /nfs/dbraw/zinc/15/88/35/783158835.db2.gz YNFVRHMKDGIXMK-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CC[C@H](NC(=O)CN2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493645 783158842 /nfs/dbraw/zinc/15/88/42/783158842.db2.gz YNFVRHMKDGIXMK-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CCC(CC)C[N@@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001072983255 790356431 /nfs/dbraw/zinc/35/64/31/790356431.db2.gz PNVMASDSIQOVBU-INIZCTEOSA-N 1 3 321.509 2.299 20 0 DEADHO CCC(CC)C[N@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001072983255 790356441 /nfs/dbraw/zinc/35/64/41/790356441.db2.gz PNVMASDSIQOVBU-INIZCTEOSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CC2)C1)N(C)C ZINC001104322341 777044415 /nfs/dbraw/zinc/04/44/15/777044415.db2.gz COOGPSVFNUTQMF-OIISXLGYSA-N 1 3 309.498 2.057 20 0 DEADHO C[NH+](C)CC(C)(C)CN1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC001207286514 777329781 /nfs/dbraw/zinc/32/97/81/777329781.db2.gz VOXYGGPSCCSJNV-MRXNPFEDSA-N 1 3 309.498 2.299 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CC1 ZINC001087212396 777348874 /nfs/dbraw/zinc/34/88/74/777348874.db2.gz AADTTYKJUBKESN-INMHGKMJSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC3CCC3)C2)C1 ZINC001104679098 778017157 /nfs/dbraw/zinc/01/71/57/778017157.db2.gz GICWJFIMZXXJPJ-JFIYKMOQSA-N 1 3 321.509 2.203 20 0 DEADHO CC(C)=CC[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001104679084 778017532 /nfs/dbraw/zinc/01/75/32/778017532.db2.gz FUFNKNWDMNAZLS-RCCFBDPRSA-N 1 3 321.509 2.369 20 0 DEADHO C[C@H]1CC[NH2+][C@@H](C(=O)N(C2CCCC2)C2CCN(C)CC2)C1 ZINC001161453344 778120673 /nfs/dbraw/zinc/12/06/73/778120673.db2.gz DOBSHDWVHYIBDQ-WMLDXEAASA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001104833750 778206174 /nfs/dbraw/zinc/20/61/74/778206174.db2.gz ZFNCYORPRFTQFF-QZTJIDSGSA-N 1 3 323.525 2.449 20 0 DEADHO CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](CC)N(C)C)C2 ZINC001112531692 778654871 /nfs/dbraw/zinc/65/48/71/778654871.db2.gz MHKCNZACXZDZDG-BQFCYCMXSA-N 1 3 309.498 2.345 20 0 DEADHO CN(C)C(=O)C1CC[NH+](C2CCN([C@@H]3C[C@H]4C[C@H]4C3)CC2)CC1 ZINC001167938023 778941265 /nfs/dbraw/zinc/94/12/65/778941265.db2.gz DHYJKXJZZRUEIT-ALXJQNPVSA-N 1 3 319.493 2.050 20 0 DEADHO CC(C)[N@@H+]1CCC2(CN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001073455031 790666288 /nfs/dbraw/zinc/66/62/88/790666288.db2.gz XDQFQWIICOCLKW-UHFFFAOYSA-N 1 3 315.461 2.305 20 0 DEADHO CC(C)[N@H+]1CCC2(CN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001073455031 790666293 /nfs/dbraw/zinc/66/62/93/790666293.db2.gz XDQFQWIICOCLKW-UHFFFAOYSA-N 1 3 315.461 2.305 20 0 DEADHO C[NH+](C)CCN1CCN([C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171117829 790683337 /nfs/dbraw/zinc/68/33/37/790683337.db2.gz ZDRWHSVYBXMAMQ-SFHVURJKSA-N 1 3 321.896 2.377 20 0 DEADHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2ccc(C)cc2)CC1 ZINC001203437882 779252125 /nfs/dbraw/zinc/25/21/25/779252125.db2.gz VVRIGHZXPQTILK-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+](CC4CCC4)CC[C@@H]3C2)CCC1 ZINC001087992799 779619130 /nfs/dbraw/zinc/61/91/30/779619130.db2.gz MVYFQOHJCGHZAT-SJORKVTESA-N 1 3 319.493 2.051 20 0 DEADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+](CC4CCC4)CC[C@@H]3C2)CCC1 ZINC001087992799 779619137 /nfs/dbraw/zinc/61/91/37/779619137.db2.gz MVYFQOHJCGHZAT-SJORKVTESA-N 1 3 319.493 2.051 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCN(C)CC2)CCO1 ZINC001168073321 779845119 /nfs/dbraw/zinc/84/51/19/779845119.db2.gz CCNSJNUADPZARC-APWZRJJASA-N 1 3 317.477 2.091 20 0 DEADHO CCCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C(F)(F)F ZINC001112212062 780290894 /nfs/dbraw/zinc/29/08/94/780290894.db2.gz KQWORSQRLJXHBB-CHWSQXEVSA-N 1 3 323.403 2.106 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C2CCCC2)CC[N@@H+]1CC1CC1 ZINC001088622520 780661269 /nfs/dbraw/zinc/66/12/69/780661269.db2.gz ZWOMEHRTGPSEPJ-JLSDUUJJSA-N 1 3 319.493 2.382 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C2CCCC2)CC[N@H+]1CC1CC1 ZINC001088622520 780661273 /nfs/dbraw/zinc/66/12/73/780661273.db2.gz ZWOMEHRTGPSEPJ-JLSDUUJJSA-N 1 3 319.493 2.382 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CC(C)C)CC1 ZINC001168335695 780852812 /nfs/dbraw/zinc/85/28/12/780852812.db2.gz QFRCVNJESKXYQH-INIZCTEOSA-N 1 3 309.498 2.393 20 0 DEADHO c1ccc2c(c1)OC[C@@H](C[NH2+]C1CCN(CC3CC3)CC1)O2 ZINC001168353061 780875799 /nfs/dbraw/zinc/87/57/99/780875799.db2.gz IWBWZYQPRCOCRG-MRXNPFEDSA-N 1 3 302.418 2.290 20 0 DEADHO c1cn(-c2ccc(C[NH2+]C3CCN(CC4CC4)CC3)cc2)nn1 ZINC001168368673 781542022 /nfs/dbraw/zinc/54/20/22/781542022.db2.gz ORXLKSPHGSWFRG-UHFFFAOYSA-N 1 3 311.433 2.231 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCC[NH2+]CCC1=CCCCC1 ZINC001127078774 781723920 /nfs/dbraw/zinc/72/39/20/781723920.db2.gz RQEPTLZLCCQEDP-QGZVFWFLSA-N 1 3 307.482 2.456 20 0 DEADHO CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001085639174 783915891 /nfs/dbraw/zinc/91/58/91/783915891.db2.gz JSABNNKUUTZPPS-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001085639174 783915899 /nfs/dbraw/zinc/91/58/99/783915899.db2.gz JSABNNKUUTZPPS-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO CN(C[C@@H]1CCN1CCCC1CCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001085928077 784223843 /nfs/dbraw/zinc/22/38/43/784223843.db2.gz NFKTXDFTMDXODH-KRWDZBQOSA-N 1 3 319.493 2.195 20 0 DEADHO CN(C)Cc1cccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC2CC2)c1 ZINC001085984330 784286164 /nfs/dbraw/zinc/28/61/64/784286164.db2.gz AEGRWDLMSGVLIO-SFHVURJKSA-N 1 3 315.461 2.305 20 0 DEADHO CN(C)Cc1cccc(C(=O)N(C)C[C@@H]2CC[N@H+]2CC2CC2)c1 ZINC001085984330 784286172 /nfs/dbraw/zinc/28/61/72/784286172.db2.gz AEGRWDLMSGVLIO-SFHVURJKSA-N 1 3 315.461 2.305 20 0 DEADHO CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968418488 784373236 /nfs/dbraw/zinc/37/32/36/784373236.db2.gz LFZNWQOCOXWLKI-RHSMWYFYSA-N 1 3 303.450 2.208 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCC2CCCC2)C1)C1CC1 ZINC000968915315 784646544 /nfs/dbraw/zinc/64/65/44/784646544.db2.gz HZCZAVVVDGKASP-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO CCCN1C[C@@H]2C[N@H+](C3CCC(C)(C(=O)OC)CC3)C[C@@H]2C1 ZINC001168794640 784912817 /nfs/dbraw/zinc/91/28/17/784912817.db2.gz WRWQUSZPVABVFU-SFYZZRBRSA-N 1 3 308.466 2.382 20 0 DEADHO CCCN1C[C@@H]2C[N@@H+](C3CCC(C)(C(=O)OC)CC3)C[C@@H]2C1 ZINC001168794640 784912819 /nfs/dbraw/zinc/91/28/19/784912819.db2.gz WRWQUSZPVABVFU-SFYZZRBRSA-N 1 3 308.466 2.382 20 0 DEADHO C[C@H]1C[C@H](NCCC[NH+]2CCCC2)CN1C(=O)OC(C)(C)C ZINC001168799202 784921090 /nfs/dbraw/zinc/92/10/90/784921090.db2.gz BOVVPGCIZNKPHL-GJZGRUSLSA-N 1 3 311.470 2.460 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CCCN2CCCC2)CN1C(=O)OC(C)(C)C ZINC001168799202 784921095 /nfs/dbraw/zinc/92/10/95/784921095.db2.gz BOVVPGCIZNKPHL-GJZGRUSLSA-N 1 3 311.470 2.460 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCN(CCCF)C1 ZINC001007500809 784937857 /nfs/dbraw/zinc/93/78/57/784937857.db2.gz VPZHGFSETREOTP-CVEARBPZSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCN(CCCF)C1 ZINC001007500809 784937861 /nfs/dbraw/zinc/93/78/61/784937861.db2.gz VPZHGFSETREOTP-CVEARBPZSA-N 1 3 313.461 2.190 20 0 DEADHO COc1cccnc1C1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169116901 785040737 /nfs/dbraw/zinc/04/07/37/785040737.db2.gz SSNBJFNBGIDVIU-QDMKHBRRSA-N 1 3 301.434 2.337 20 0 DEADHO COc1cccnc1C1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169116901 785040744 /nfs/dbraw/zinc/04/07/44/785040744.db2.gz SSNBJFNBGIDVIU-QDMKHBRRSA-N 1 3 301.434 2.337 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@]3(C[C@H](OCC4CC4)CO3)C1)C2 ZINC001169137581 785053572 /nfs/dbraw/zinc/05/35/72/785053572.db2.gz DKXDTOUKQJCWNE-JKEDJMADSA-N 1 3 320.477 2.272 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@]3(C[C@H](OCC4CC4)CO3)C1)C2 ZINC001169137581 785053576 /nfs/dbraw/zinc/05/35/76/785053576.db2.gz DKXDTOUKQJCWNE-JKEDJMADSA-N 1 3 320.477 2.272 20 0 DEADHO Cc1cnccc1O[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3C)C1 ZINC001169155143 785071217 /nfs/dbraw/zinc/07/12/17/785071217.db2.gz YLZBEZDCDPNLLA-YYIAUSFCSA-N 1 3 301.434 2.468 20 0 DEADHO Cc1cnccc1O[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3C)C1 ZINC001169155143 785071222 /nfs/dbraw/zinc/07/12/22/785071222.db2.gz YLZBEZDCDPNLLA-YYIAUSFCSA-N 1 3 301.434 2.468 20 0 DEADHO Cc1cnccc1O[C@@H]1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169155143 785071231 /nfs/dbraw/zinc/07/12/31/785071231.db2.gz YLZBEZDCDPNLLA-YYIAUSFCSA-N 1 3 301.434 2.468 20 0 DEADHO Cc1cnccc1O[C@@H]1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169155143 785071241 /nfs/dbraw/zinc/07/12/41/785071241.db2.gz YLZBEZDCDPNLLA-YYIAUSFCSA-N 1 3 301.434 2.468 20 0 DEADHO Cc1cnccc1O[C@H]1CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3C)C1 ZINC001169155140 785071733 /nfs/dbraw/zinc/07/17/33/785071733.db2.gz YLZBEZDCDPNLLA-HZMVEIRTSA-N 1 3 301.434 2.468 20 0 DEADHO Cc1cnccc1O[C@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3C)C1 ZINC001169155140 785071737 /nfs/dbraw/zinc/07/17/37/785071737.db2.gz YLZBEZDCDPNLLA-HZMVEIRTSA-N 1 3 301.434 2.468 20 0 DEADHO Cc1cnccc1O[C@H]1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169155140 785071743 /nfs/dbraw/zinc/07/17/43/785071743.db2.gz YLZBEZDCDPNLLA-HZMVEIRTSA-N 1 3 301.434 2.468 20 0 DEADHO Cc1cnccc1O[C@H]1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169155140 785071749 /nfs/dbraw/zinc/07/17/49/785071749.db2.gz YLZBEZDCDPNLLA-HZMVEIRTSA-N 1 3 301.434 2.468 20 0 DEADHO C[C@H](F)CC[NH2+]CCCC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001171236083 791080487 /nfs/dbraw/zinc/08/04/87/791080487.db2.gz KWTKIRZHSDZRDV-GJZGRUSLSA-N 1 3 315.477 2.483 20 0 DEADHO C[C@@H](N)c1ccn(-c2ccc(COC3CC[NH2+]CC3)cc2)n1 ZINC001169234186 785099698 /nfs/dbraw/zinc/09/96/98/785099698.db2.gz UNPXPKDDQXDNEX-CYBMUJFWSA-N 1 3 300.406 2.161 20 0 DEADHO C[C@@H](C(=O)N[C@@H]1CCCN(CCCF)C1)[NH+]1CCCCCC1 ZINC001008749463 785294555 /nfs/dbraw/zinc/29/45/55/785294555.db2.gz SONFOLUIPZQJOC-JKSUJKDBSA-N 1 3 313.461 2.191 20 0 DEADHO O=C(N[C@H]1CCCN(CC2=CCCCC2)C1)C12CC[NH+](CC1)C2 ZINC001009227769 785413126 /nfs/dbraw/zinc/41/31/26/785413126.db2.gz WIJKEPWRRACADC-KRWDZBQOSA-N 1 3 317.477 2.163 20 0 DEADHO [NH3+]C1(c2cccnc2)CCN([C@H]2CCCC3(C2)OCCO3)CC1 ZINC001169926136 785431143 /nfs/dbraw/zinc/43/11/43/785431143.db2.gz VVSNWLDIWCNMQN-INIZCTEOSA-N 1 3 317.433 2.017 20 0 DEADHO CN(C)C1(C(=O)NCC[NH2+]CCc2ccc(Cl)cc2)CCC1 ZINC001129356044 785488265 /nfs/dbraw/zinc/48/82/65/785488265.db2.gz AUUFEYPBACGHAU-UHFFFAOYSA-N 1 3 323.868 2.073 20 0 DEADHO CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(N(C)C)CCC1)C2 ZINC001108703383 785494205 /nfs/dbraw/zinc/49/42/05/785494205.db2.gz PCDXEFRAKRFGDY-XHSDSOJGSA-N 1 3 307.482 2.240 20 0 DEADHO CN(C)C1(C(=O)NCC[NH2+]CC/C=C\c2ccccc2)CCC1 ZINC001129357470 785494424 /nfs/dbraw/zinc/49/44/24/785494424.db2.gz MBWISGDALIAAJL-WDZFZDKYSA-N 1 3 315.461 2.280 20 0 DEADHO CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C1CCC1)C2 ZINC001108704488 785495085 /nfs/dbraw/zinc/49/50/85/785495085.db2.gz NLSNXMBVOUIJIK-ZOBUZTSGSA-N 1 3 307.482 2.240 20 0 DEADHO CCC[NH2+]C1CC(CNC(=O)c2ccccc2CN(C)C)C1 ZINC001091378154 791129457 /nfs/dbraw/zinc/12/94/57/791129457.db2.gz HZICNYGNJMTDNL-UHFFFAOYSA-N 1 3 303.450 2.256 20 0 DEADHO CCC[NH2+][C@H]1C[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001086558039 786217384 /nfs/dbraw/zinc/21/73/84/786217384.db2.gz PVOJNFDWOZHKRD-JCNLHEQBSA-N 1 3 303.450 2.256 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1CCN(CC2CCCCC2)CC1 ZINC001113571313 786697830 /nfs/dbraw/zinc/69/78/30/786697830.db2.gz HCXVHNQTACPPIV-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1CCN(CC2CCCCC2)CC1 ZINC001113571313 786697832 /nfs/dbraw/zinc/69/78/32/786697832.db2.gz HCXVHNQTACPPIV-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO Cc1c2[nH]cnc2ccc1NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001170276371 786885947 /nfs/dbraw/zinc/88/59/47/786885947.db2.gz DPFYGBMXFYYHOJ-IIAWOOMASA-N 1 3 304.394 2.008 20 0 DEADHO CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001015392778 787030061 /nfs/dbraw/zinc/03/00/61/787030061.db2.gz QCXJPBJTLFTFDA-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CCC(CC)C[N@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001015392778 787030068 /nfs/dbraw/zinc/03/00/68/787030068.db2.gz QCXJPBJTLFTFDA-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCN(CC=C(C)C)C2)C1 ZINC001015596788 787127762 /nfs/dbraw/zinc/12/77/62/787127762.db2.gz HFONQIMANIJVPR-IRXDYDNUSA-N 1 3 307.482 2.265 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CCN(CC=C(C)C)C2)C1 ZINC001015596788 787127769 /nfs/dbraw/zinc/12/77/69/787127769.db2.gz HFONQIMANIJVPR-IRXDYDNUSA-N 1 3 307.482 2.265 20 0 DEADHO C[C@H]([NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C)c1ccc(Cl)cc1 ZINC001129454239 787211901 /nfs/dbraw/zinc/21/19/01/787211901.db2.gz IALCADXODKTFTD-BLLLJJGKSA-N 1 3 323.868 2.447 20 0 DEADHO CN1CCOc2c1cnnc2NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001170453952 787226721 /nfs/dbraw/zinc/22/67/21/787226721.db2.gz QPBORLRRAPIAJO-UHFFFAOYSA-N 1 3 319.453 2.369 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[NH2+][C@H](C)c1ccc(F)cc1)N(C)C ZINC001129950288 787262621 /nfs/dbraw/zinc/26/26/21/787262621.db2.gz QMDWWHYKLFMNGZ-CJNGLKHVSA-N 1 3 309.429 2.179 20 0 DEADHO CC(C)[C@@H](C(=O)NCCNCc1cc2ccccc2o1)[NH+](C)C ZINC001129946944 787264840 /nfs/dbraw/zinc/26/48/40/787264840.db2.gz BMSHGOIAXGMFIJ-KRWDZBQOSA-N 1 3 317.433 2.225 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC[NH2+][C@H](C)c1cccc(OC)c1 ZINC001130428026 787389813 /nfs/dbraw/zinc/38/98/13/787389813.db2.gz ZMORGFANCHEBBY-CQSZACIVSA-N 1 3 321.465 2.192 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]C/C=C/c1ccccc1 ZINC001130419119 787393302 /nfs/dbraw/zinc/39/33/02/787393302.db2.gz LXJOBYYSTWJYHF-FMIVXFBMSA-N 1 3 303.450 2.136 20 0 DEADHO CC[C@H](F)CNCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132791209 788194923 /nfs/dbraw/zinc/19/49/23/788194923.db2.gz UXLCWWYULCTDEW-GOEBONIOSA-N 1 3 313.461 2.237 20 0 DEADHO CC[C@H](F)CNCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001132791209 788194925 /nfs/dbraw/zinc/19/49/25/788194925.db2.gz UXLCWWYULCTDEW-GOEBONIOSA-N 1 3 313.461 2.237 20 0 DEADHO CCCC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1C ZINC001132894226 788220549 /nfs/dbraw/zinc/22/05/49/788220549.db2.gz ZHOPMKFYKOYQRD-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC=C(C)C)C1 ZINC001133178791 788307053 /nfs/dbraw/zinc/30/70/53/788307053.db2.gz XJJPWHXKUALXOJ-IAGOWNOFSA-N 1 3 309.498 2.369 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@@H]1C ZINC001133194428 788313551 /nfs/dbraw/zinc/31/35/51/788313551.db2.gz FLTBMDVLACYPRQ-ZWKOTPCHSA-N 1 3 323.525 2.449 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC2CCC2)C1 ZINC001133274454 788346005 /nfs/dbraw/zinc/34/60/05/788346005.db2.gz IJDRJGLQXBIJFN-RDJZCZTQSA-N 1 3 309.498 2.203 20 0 DEADHO CCC[N@H+](CCCN(C)C)Cc1ccnc(N2CCOCC2)c1 ZINC001137441038 788359262 /nfs/dbraw/zinc/35/92/62/788359262.db2.gz QSMUDIZQXDVESO-UHFFFAOYSA-N 1 3 320.481 2.082 20 0 DEADHO CCC[N@@H+](CCCN(C)C)Cc1ccnc(N2CCOCC2)c1 ZINC001137441038 788359269 /nfs/dbraw/zinc/35/92/69/788359269.db2.gz QSMUDIZQXDVESO-UHFFFAOYSA-N 1 3 320.481 2.082 20 0 DEADHO COC(=O)c1ccc(CN2CCC(C[NH+](C)C)CC2)c(OC)c1 ZINC001137453625 788361839 /nfs/dbraw/zinc/36/18/39/788361839.db2.gz XSSJJDLNDFLHNG-UHFFFAOYSA-N 1 3 320.433 2.255 20 0 DEADHO CC[C@@H](C(=O)NCCNCc1cccc(F)c1)[NH+](CC)CC ZINC001133684610 788558484 /nfs/dbraw/zinc/55/84/84/788558484.db2.gz KNQLYJCYNGMUII-INIZCTEOSA-N 1 3 309.429 2.152 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]CC[C@H]1CCCC1(F)F ZINC001133823398 788620335 /nfs/dbraw/zinc/62/03/35/788620335.db2.gz FJXQXHIJMHFBSE-UONOGXRCSA-N 1 3 317.424 2.002 20 0 DEADHO CC[C@H]([NH2+]CCNC(=O)CN1CCC[C@@H]1C)c1ccc(F)cc1 ZINC001133823897 788621696 /nfs/dbraw/zinc/62/16/96/788621696.db2.gz RWLPSBIBACMRBF-YOEHRIQHSA-N 1 3 321.440 2.467 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]Cc1ccc(Cl)s1 ZINC001133833850 788627007 /nfs/dbraw/zinc/62/70/07/788627007.db2.gz HQOZOOHTEJKCMJ-LLVKDONJSA-N 1 3 315.870 2.092 20 0 DEADHO C[C@@H]([NH2+]CCNC(=O)CN1CCC(C)(C)C1)c1ccc(F)cc1 ZINC001133896100 788662355 /nfs/dbraw/zinc/66/23/55/788662355.db2.gz CHQSQNIDCFYOFR-CQSZACIVSA-N 1 3 321.440 2.324 20 0 DEADHO CCc1ccc(C[NH2+]CCNC(=O)CN2CCC(C)(C)C2)cc1 ZINC001133897084 788663827 /nfs/dbraw/zinc/66/38/27/788663827.db2.gz YJQHSBONWDOQIM-UHFFFAOYSA-N 1 3 317.477 2.187 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+]CC/C=C/c1ccccc1)N(C)C ZINC001133965808 788697166 /nfs/dbraw/zinc/69/71/66/788697166.db2.gz KPSXOPHSJMPAFZ-UEICXMAYSA-N 1 3 303.450 2.136 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccn1 ZINC001134773385 789074017 /nfs/dbraw/zinc/07/40/17/789074017.db2.gz OGCFVDVYWTXAIQ-CABCVRRESA-N 1 3 320.481 2.185 20 0 DEADHO C[C@H](C[C@H](C)NC(=O)CN(C)CC(C)(C)C)[NH2+]CCCF ZINC001135476317 789365041 /nfs/dbraw/zinc/36/50/41/789365041.db2.gz JJSCEYZBRGBHQQ-KGLIPLIRSA-N 1 3 303.466 2.197 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+]Cc1cc2ccccc2s1 ZINC001135510635 789380723 /nfs/dbraw/zinc/38/07/23/789380723.db2.gz DBLOMBSZJVQBJS-UHFFFAOYSA-N 1 3 319.474 2.449 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCc1ccccc1 ZINC001135706492 789461348 /nfs/dbraw/zinc/46/13/48/789461348.db2.gz VMVGPVHOIRLZTL-IAGOWNOFSA-N 1 3 319.493 2.444 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCc1ccccc1 ZINC001135706491 789461474 /nfs/dbraw/zinc/46/14/74/789461474.db2.gz VMVGPVHOIRLZTL-DLBZAZTESA-N 1 3 319.493 2.444 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccnc1C ZINC001135743827 789475035 /nfs/dbraw/zinc/47/50/35/789475035.db2.gz QDIBNBKRNLXHDX-CABCVRRESA-N 1 3 320.481 2.105 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cncc(C)c1 ZINC001135743375 789475736 /nfs/dbraw/zinc/47/57/36/789475736.db2.gz JJMFBDFVWYQGOE-CVEARBPZSA-N 1 3 320.481 2.105 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1cnc(C)o1 ZINC001135995286 789590000 /nfs/dbraw/zinc/59/00/00/789590000.db2.gz CIILEXTWVSRTAK-KBPBESRZSA-N 1 3 324.469 2.088 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1cnc(C)o1 ZINC001135995286 789590008 /nfs/dbraw/zinc/59/00/08/789590008.db2.gz CIILEXTWVSRTAK-KBPBESRZSA-N 1 3 324.469 2.088 20 0 DEADHO CC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001136032232 789601209 /nfs/dbraw/zinc/60/12/09/789601209.db2.gz XUINNTBVQMVERU-WJDZFGBRSA-N 1 3 306.454 2.490 20 0 DEADHO C[C@@H]([NH3+])CCNc1nc(N2CCOCC2)cc2ccccc21 ZINC001170889915 789639673 /nfs/dbraw/zinc/63/96/73/789639673.db2.gz MGJNUPLSKSWROS-CYBMUJFWSA-N 1 3 300.406 2.221 20 0 DEADHO C[C@@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C[N@@H+]1CCCF ZINC001071739215 789898918 /nfs/dbraw/zinc/89/89/18/789898918.db2.gz PJNQZBGKRZRGNH-CABCVRRESA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C[N@H+]1CCCF ZINC001071739215 789898926 /nfs/dbraw/zinc/89/89/26/789898926.db2.gz PJNQZBGKRZRGNH-CABCVRRESA-N 1 3 313.461 2.190 20 0 DEADHO CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@H]1C ZINC001072288667 790106637 /nfs/dbraw/zinc/10/66/37/790106637.db2.gz OWCGVSSCIHNYCA-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CN(CC(=O)N1CC2(C1)CC[N@H+](CCC(C)(C)C)C2)C1CCC1 ZINC001072816150 790258508 /nfs/dbraw/zinc/25/85/08/790258508.db2.gz PYVPMBWSJGIZAZ-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CN(CC(=O)N1CC2(C1)CC[N@@H+](CCC(C)(C)C)C2)C1CCC1 ZINC001072816150 790258510 /nfs/dbraw/zinc/25/85/10/790258510.db2.gz PYVPMBWSJGIZAZ-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CCC2CCCC2)CCN1C(=O)[C@H]1CCCN1C ZINC001074565033 791234411 /nfs/dbraw/zinc/23/44/11/791234411.db2.gz OLZCWNSRTPZLQS-BHYGNILZSA-N 1 3 307.482 2.240 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCC2CCCC2)[C@@H]1C)N(C)C ZINC001074709939 791270938 /nfs/dbraw/zinc/27/09/38/791270938.db2.gz XAFGPCGSCAHGNU-BHYGNILZSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCc1ccccc1 ZINC001146593841 791318452 /nfs/dbraw/zinc/31/84/52/791318452.db2.gz QNKXNRBXCILJBJ-SJORKVTESA-N 1 3 319.493 2.442 20 0 DEADHO CC(C)OCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146600058 791319298 /nfs/dbraw/zinc/31/92/98/791319298.db2.gz FDCJVUYUFYCHDO-JKSUJKDBSA-N 1 3 315.502 2.015 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccsc1 ZINC001146602093 791321119 /nfs/dbraw/zinc/32/11/19/791321119.db2.gz RJXRQUYLZZRTNU-KBPBESRZSA-N 1 3 311.495 2.461 20 0 DEADHO CC[N@H+](C)CCC(=O)NCCN[C@H](C)c1ccc(F)c(F)c1 ZINC001146711480 791347081 /nfs/dbraw/zinc/34/70/81/791347081.db2.gz SZJJPANLWSTLEF-GFCCVEGCSA-N 1 3 313.392 2.073 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCCN[C@H](C)c1ccc(F)c(F)c1 ZINC001146711480 791347089 /nfs/dbraw/zinc/34/70/89/791347089.db2.gz SZJJPANLWSTLEF-GFCCVEGCSA-N 1 3 313.392 2.073 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]Cc2ccsc2)[C@@H]1C ZINC001074877729 791364303 /nfs/dbraw/zinc/36/43/03/791364303.db2.gz JLKIYMSQGUDWPX-YCPHGPKFSA-N 1 3 321.490 2.311 20 0 DEADHO [NH3+]CCc1cc2ccccc2n1-c1ccc2c(c1)COC21CNC1 ZINC001171304079 791538301 /nfs/dbraw/zinc/53/83/01/791538301.db2.gz MNNICSLMIXRRGD-UHFFFAOYSA-N 1 3 319.408 2.460 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCNCc2cccc(F)c2)C1 ZINC001147822813 791632317 /nfs/dbraw/zinc/63/23/17/791632317.db2.gz AYLUCGUKPQCHBB-DOTOQJQBSA-N 1 3 321.440 2.152 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](C(C)C)C[C@@]2(C)C1 ZINC001091667373 791637277 /nfs/dbraw/zinc/63/72/77/791637277.db2.gz QXIZEJFCFOLNGI-NUJGCVRESA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](C(C)C)C[C@@]2(C)C1 ZINC001091667373 791637288 /nfs/dbraw/zinc/63/72/88/791637288.db2.gz QXIZEJFCFOLNGI-NUJGCVRESA-N 1 3 307.482 2.048 20 0 DEADHO CCCCC[N@@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001148286725 791729641 /nfs/dbraw/zinc/72/96/41/791729641.db2.gz XFVVTPUQCZTWBO-MRXNPFEDSA-N 1 3 307.482 2.053 20 0 DEADHO CCCCC[N@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001148286725 791729646 /nfs/dbraw/zinc/72/96/46/791729646.db2.gz XFVVTPUQCZTWBO-MRXNPFEDSA-N 1 3 307.482 2.053 20 0 DEADHO C[C@H]1CC2(CN1C(=O)[C@@H]1CCCN1C)CC[NH+](CC1CC1)CC2 ZINC001086910687 791847795 /nfs/dbraw/zinc/84/77/95/791847795.db2.gz ZFOJRNMNKMKJNC-RDJZCZTQSA-N 1 3 319.493 2.194 20 0 DEADHO CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001086942596 791857993 /nfs/dbraw/zinc/85/79/93/791857993.db2.gz WGRZISVRSUBGMF-IRXDYDNUSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN(C)CC(C)(C)C)C1 ZINC001099526827 792230497 /nfs/dbraw/zinc/23/04/97/792230497.db2.gz BCHIYYWRGBOTQZ-QAETUUGQSA-N 1 3 321.509 2.153 20 0 DEADHO CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN(C)CC(C)(C)C)C1 ZINC001099526827 792230503 /nfs/dbraw/zinc/23/05/03/792230503.db2.gz BCHIYYWRGBOTQZ-QAETUUGQSA-N 1 3 321.509 2.153 20 0 DEADHO CC[N@H+]1C[C@@H](CNC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001093222393 792294888 /nfs/dbraw/zinc/29/48/88/792294888.db2.gz KWYZKVKOPTXJLF-RHSMWYFYSA-N 1 3 303.450 2.066 20 0 DEADHO CC[N@@H+]1C[C@@H](CNC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001093222393 792294898 /nfs/dbraw/zinc/29/48/98/792294898.db2.gz KWYZKVKOPTXJLF-RHSMWYFYSA-N 1 3 303.450 2.066 20 0 DEADHO CC/C=C/CC[NH2+]C1CC(CNC(=O)CN2CCC[C@H]2C)C1 ZINC001100676364 792782618 /nfs/dbraw/zinc/78/26/18/792782618.db2.gz MHBNZCQFAQAPHX-FMZFJBBLSA-N 1 3 307.482 2.311 20 0 DEADHO CCN(CC)CC(=O)NCC1CC([NH2+]CCc2ccccc2)C1 ZINC001100769781 792834193 /nfs/dbraw/zinc/83/41/93/792834193.db2.gz ZZCIOTUVINRMKW-UHFFFAOYSA-N 1 3 317.477 2.055 20 0 DEADHO CCCN(C)CC(=O)NCC1CC([NH2+]CCc2cccs2)C1 ZINC001100904901 792910551 /nfs/dbraw/zinc/91/05/51/792910551.db2.gz NCZUSGUPOPYKOB-UHFFFAOYSA-N 1 3 323.506 2.117 20 0 DEADHO CN1C(C)(C)CC([NH2+][C@H]2CCC[C@H]2N2CCOCC2)CC1(C)C ZINC001171625914 793156630 /nfs/dbraw/zinc/15/66/30/793156630.db2.gz PTJMOGCOHLITTQ-DLBZAZTESA-N 1 3 323.525 2.481 20 0 DEADHO C[NH+]1C(C)(C)CC(N[C@H]2CCC[C@H]2N2CCOCC2)CC1(C)C ZINC001171625914 793156635 /nfs/dbraw/zinc/15/66/35/793156635.db2.gz PTJMOGCOHLITTQ-DLBZAZTESA-N 1 3 323.525 2.481 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](CC=C(C)C)C[C@@]2(C)C1 ZINC001101443667 793164059 /nfs/dbraw/zinc/16/40/59/793164059.db2.gz NNGBKUGUTQDMLJ-AEFFLSMTSA-N 1 3 307.482 2.075 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](CC=C(C)C)C[C@@]2(C)C1 ZINC001101443667 793164064 /nfs/dbraw/zinc/16/40/64/793164064.db2.gz NNGBKUGUTQDMLJ-AEFFLSMTSA-N 1 3 307.482 2.075 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1ccc2c(c1)CCC2 ZINC001171758238 793197848 /nfs/dbraw/zinc/19/78/48/793197848.db2.gz URFKYCCZKQGLBQ-UHFFFAOYSA-N 1 3 317.477 2.113 20 0 DEADHO CC(C)(C)OC(=O)N1CC[C@H](NC2(C[NH3+])CC2)CC12CCC2 ZINC001171843905 793230051 /nfs/dbraw/zinc/23/00/51/793230051.db2.gz DBUNPAGKVUFOEN-ZDUSSCGKSA-N 1 3 309.454 2.390 20 0 DEADHO NC(=O)CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172074829 793310042 /nfs/dbraw/zinc/31/00/42/793310042.db2.gz YMHNOWXSCBYTTH-BJWYYQGGSA-N 1 3 301.434 2.037 20 0 DEADHO NC(=O)CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172074829 793310051 /nfs/dbraw/zinc/31/00/51/793310051.db2.gz YMHNOWXSCBYTTH-BJWYYQGGSA-N 1 3 301.434 2.037 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@@H](O)COc1ccccc1)C2 ZINC001172101883 793313822 /nfs/dbraw/zinc/31/38/22/793313822.db2.gz IBJFSOYXOLAEMK-YYIAUSFCSA-N 1 3 304.434 2.031 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@@H](O)COc1ccccc1)C2 ZINC001172101883 793313832 /nfs/dbraw/zinc/31/38/32/793313832.db2.gz IBJFSOYXOLAEMK-YYIAUSFCSA-N 1 3 304.434 2.031 20 0 DEADHO CN(C)C(=O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172063635 793316017 /nfs/dbraw/zinc/31/60/17/793316017.db2.gz AJYHFEHFNFGXER-BCDXTJNWSA-N 1 3 315.461 2.250 20 0 DEADHO Cc1cnc(O[C@H]2CCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)nc1 ZINC001172132331 793321959 /nfs/dbraw/zinc/32/19/59/793321959.db2.gz KIAWIJGRLJNAFP-YVSFHVDLSA-N 1 3 316.449 2.253 20 0 DEADHO Cc1cnc(O[C@H]2CCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)nc1 ZINC001172132331 793321969 /nfs/dbraw/zinc/32/19/69/793321969.db2.gz KIAWIJGRLJNAFP-YVSFHVDLSA-N 1 3 316.449 2.253 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[C@H](Oc3ncc(F)cn3)C1)C2 ZINC001172133971 793322965 /nfs/dbraw/zinc/32/29/65/793322965.db2.gz UXFQHPSEPCGDCJ-FZKCQIBNSA-N 1 3 320.412 2.084 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[C@H](Oc3ncc(F)cn3)C1)C2 ZINC001172133971 793322974 /nfs/dbraw/zinc/32/29/74/793322974.db2.gz UXFQHPSEPCGDCJ-FZKCQIBNSA-N 1 3 320.412 2.084 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCNC(=O)c1ccccc1)C2 ZINC001172102110 793327752 /nfs/dbraw/zinc/32/77/52/793327752.db2.gz JXJMLCTWCTXPJI-BJWYYQGGSA-N 1 3 301.434 2.021 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCNC(=O)c1ccccc1)C2 ZINC001172102110 793327762 /nfs/dbraw/zinc/32/77/62/793327762.db2.gz JXJMLCTWCTXPJI-BJWYYQGGSA-N 1 3 301.434 2.021 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCC(=O)NC1CCCCC1)C2 ZINC001172107421 793329983 /nfs/dbraw/zinc/32/99/83/793329983.db2.gz XFSBKJJIQHTOPC-OSYLJGHBSA-N 1 3 307.482 2.430 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCC(=O)NC1CCCCC1)C2 ZINC001172107421 793329995 /nfs/dbraw/zinc/32/99/95/793329995.db2.gz XFSBKJJIQHTOPC-OSYLJGHBSA-N 1 3 307.482 2.430 20 0 DEADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cncn1C1CCOCC1)C2 ZINC001172110859 793330250 /nfs/dbraw/zinc/33/02/50/793330250.db2.gz QDCIZKVUAUEQMA-ACHSLPGTSA-N 1 3 318.465 2.340 20 0 DEADHO COCCC[NH+]1CCC(N[C@@H]2CCc3ccccc3[C@H]2O)CC1 ZINC001172246767 793386360 /nfs/dbraw/zinc/38/63/60/793386360.db2.gz STUBUUVKLDOCRO-RTBURBONSA-N 1 3 318.461 2.125 20 0 DEADHO CC(C)[N@H+](CCCN)[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172662656 793466824 /nfs/dbraw/zinc/46/68/24/793466824.db2.gz GKVKTYCKJRIXFM-KRWDZBQOSA-N 1 3 303.450 2.237 20 0 DEADHO CC(C)[N@@H+](CCCN)[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172662656 793466829 /nfs/dbraw/zinc/46/68/29/793466829.db2.gz GKVKTYCKJRIXFM-KRWDZBQOSA-N 1 3 303.450 2.237 20 0 DEADHO CC[NH+](CC)C1CCC(N[C@H](C(N)=O)c2ccccc2)CC1 ZINC001173102137 793578265 /nfs/dbraw/zinc/57/82/65/793578265.db2.gz SXMBZTNRDLUORU-JCYILVPMSA-N 1 3 303.450 2.456 20 0 DEADHO CC[NH+](CC)C1CCC(N2CC(=O)NC3(CCCC3)C2)CC1 ZINC001173112726 793581559 /nfs/dbraw/zinc/58/15/59/793581559.db2.gz CHGDYNIHJDNPGO-UHFFFAOYSA-N 1 3 307.482 2.384 20 0 DEADHO COc1cccc2c1C[C@H]([NH+]1CCC3(CN(C)C3)CC1)CO2 ZINC001173167771 793628653 /nfs/dbraw/zinc/62/86/53/793628653.db2.gz IQTJFKMKKIWYCR-AWEZNQCLSA-N 1 3 302.418 2.026 20 0 DEADHO COc1cccc2c1C[C@H](N1CCC3(C[NH+](C)C3)CC1)CO2 ZINC001173167771 793628656 /nfs/dbraw/zinc/62/86/56/793628656.db2.gz IQTJFKMKKIWYCR-AWEZNQCLSA-N 1 3 302.418 2.026 20 0 DEADHO c1nnn([C@@H]2CCC[C@@H]([NH+]3CCC(N4CCCCC4)CC3)C2)n1 ZINC001173753589 793838401 /nfs/dbraw/zinc/83/84/01/793838401.db2.gz IIMIAWLJZHPPOE-IAGOWNOFSA-N 1 3 318.469 2.107 20 0 DEADHO CC[C@H](C(=O)NCC[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1C)N(C)C ZINC001103139873 793954146 /nfs/dbraw/zinc/95/41/46/793954146.db2.gz CBTRFCPRHMYVCR-HXFZWMNWSA-N 1 3 315.889 2.153 20 0 DEADHO CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1C)N(C)C ZINC001103139873 793954151 /nfs/dbraw/zinc/95/41/51/793954151.db2.gz CBTRFCPRHMYVCR-HXFZWMNWSA-N 1 3 315.889 2.153 20 0 DEADHO CCc1ccc(C[NH2+]CCCNC(=O)Cc2nc[nH]c2C)cc1 ZINC001174692025 794041659 /nfs/dbraw/zinc/04/16/59/794041659.db2.gz PVWMLDSCFMBOHS-UHFFFAOYSA-N 1 3 314.433 2.119 20 0 DEADHO C[C@H](CCCC[NH2+]C/C=C\Cl)NC(=O)CN1CCC[C@H]1C ZINC001175255821 794170464 /nfs/dbraw/zinc/17/04/64/794170464.db2.gz HJQGTPMFTDNRLC-AJNJCKRNSA-N 1 3 315.889 2.488 20 0 DEADHO C[C@H](CCCC[NH2+]CCC1CC1)NC(=O)CN1CC[C@H](C)C1 ZINC001175262390 794172508 /nfs/dbraw/zinc/17/25/08/794172508.db2.gz FYRYZIHSZNHNSV-JKSUJKDBSA-N 1 3 309.498 2.393 20 0 DEADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C ZINC001103664525 794180764 /nfs/dbraw/zinc/18/07/64/794180764.db2.gz GXNPIRIKACRTAS-NVXWUHKLSA-N 1 3 309.498 2.203 20 0 DEADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C ZINC001103664525 794180769 /nfs/dbraw/zinc/18/07/69/794180769.db2.gz GXNPIRIKACRTAS-NVXWUHKLSA-N 1 3 309.498 2.203 20 0 DEADHO CC[C@H](F)C[NH2+]CCCC[C@@H](C)NC(=O)CN(CC)CC ZINC001175787917 794289387 /nfs/dbraw/zinc/28/93/87/794289387.db2.gz ZAVOXXUOQDCWIZ-CABCVRRESA-N 1 3 303.466 2.341 20 0 DEADHO Cc1ncc(Nc2ccc(C(=O)NCCC[NH+](C)C)cc2)n1C ZINC001175822666 794299882 /nfs/dbraw/zinc/29/98/82/794299882.db2.gz BYWKYWZPDYZXHT-UHFFFAOYSA-N 1 3 315.421 2.154 20 0 DEADHO Nc1[nH+]c2ccccc2n1-c1ccc(CCN2CCOCC2)cc1 ZINC001176378059 794418073 /nfs/dbraw/zinc/41/80/73/794418073.db2.gz DKDPXHRTYCOCOF-UHFFFAOYSA-N 1 3 322.412 2.482 20 0 DEADHO CC[C@H](C)C[NH2+]CC1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001206275204 794446678 /nfs/dbraw/zinc/44/66/78/794446678.db2.gz PTJICMZXWDSYJQ-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)CCCC[NH2+]C/C=C/Cl ZINC001176760060 794498720 /nfs/dbraw/zinc/49/87/20/794498720.db2.gz PGNBKGYEYKCMRC-KGXGESDWSA-N 1 3 303.878 2.344 20 0 DEADHO CCc1ccc(CC[NH2+]CCCNC(=O)CN(C)C(C)C)cc1 ZINC001176975681 794546020 /nfs/dbraw/zinc/54/60/20/794546020.db2.gz SWPLXNJJNJTSDJ-UHFFFAOYSA-N 1 3 319.493 2.228 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CCc1ccccc1 ZINC001176986308 794546570 /nfs/dbraw/zinc/54/65/70/794546570.db2.gz KJBNSIHAPIQMGT-SFHVURJKSA-N 1 3 317.477 2.199 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[NH2+]Cc1ccc(CF)cc1 ZINC001176980370 794546864 /nfs/dbraw/zinc/54/68/64/794546864.db2.gz DQRAKDMSPXDEMX-UHFFFAOYSA-N 1 3 309.429 2.092 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(C)C)C1)N(C)C ZINC001112425288 794631495 /nfs/dbraw/zinc/63/14/95/794631495.db2.gz GOZAGTRDDPKVSH-JZXOWHBKSA-N 1 3 309.498 2.201 20 0 DEADHO CN1CCC[C@@H]1C(=O)NCCCCCC[NH2+]Cc1nccs1 ZINC001178045448 794804620 /nfs/dbraw/zinc/80/46/20/794804620.db2.gz LZKWTHCMOOIHRR-CQSZACIVSA-N 1 3 324.494 2.004 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]CC[C@H](C)F)CCCCC1)N(C)C ZINC001115591848 794831615 /nfs/dbraw/zinc/83/16/15/794831615.db2.gz HYKRYQFQZAGUIM-LSDHHAIUSA-N 1 3 315.477 2.483 20 0 DEADHO CN(C)[C@H](C(=O)NCCCCCC[NH2+]CC1CCC1)C1CC1 ZINC001178698466 794980626 /nfs/dbraw/zinc/98/06/26/794980626.db2.gz IJLLVEWUUXFSHX-KRWDZBQOSA-N 1 3 309.498 2.393 20 0 DEADHO CC[C@H](C(=O)NCCCCCC[NH2+]Cc1conc1C)N(C)C ZINC001178815441 795013850 /nfs/dbraw/zinc/01/38/50/795013850.db2.gz CADYSDVNXLJYGD-MRXNPFEDSA-N 1 3 324.469 2.089 20 0 DEADHO CCC(CC)C[NH2+][C@H]1CCN(C(=O)CN2CCC[C@H]2C)[C@H]1C ZINC001179534772 795127891 /nfs/dbraw/zinc/12/78/91/795127891.db2.gz WAHUOMGLUDYVEH-VYDXJSESSA-N 1 3 309.498 2.486 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2)[C@@H]1C ZINC001179982591 795214191 /nfs/dbraw/zinc/21/41/91/795214191.db2.gz APXQRKMVFKIVAY-YOEHRIQHSA-N 1 3 321.440 2.247 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C(=O)[C@@H]4CCCCC[C@H]43)C[C@@H]2C1 ZINC001120255779 795429905 /nfs/dbraw/zinc/42/99/05/795429905.db2.gz OCCADYXCZJFAPW-CWQOZTLDSA-N 1 3 319.493 2.397 20 0 DEADHO CC(C)=CC[NH2+]C[C@]1(C)CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001182629623 795714724 /nfs/dbraw/zinc/71/47/24/795714724.db2.gz JVGMDFYHZQSDRS-YQVWRLOYSA-N 1 3 321.509 2.369 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC=C(C)C)C1)N(C)C ZINC001182637362 795716974 /nfs/dbraw/zinc/71/69/74/795716974.db2.gz BAVUHXYPIPAYOE-SOLBZPMBSA-N 1 3 309.498 2.367 20 0 DEADHO CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001182813553 795760145 /nfs/dbraw/zinc/76/01/45/795760145.db2.gz JWHFKXYHQZXZFO-JFIYKMOQSA-N 1 3 309.498 2.343 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C/C=C\Cl)C1 ZINC001182934125 795787259 /nfs/dbraw/zinc/78/72/59/795787259.db2.gz QVEWMDFTJIZYJB-LOWICHSDSA-N 1 3 315.889 2.155 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CC(C)C2)C1 ZINC001183228696 795828413 /nfs/dbraw/zinc/82/84/13/795828413.db2.gz QFZNJWLEMVPEIN-MPLMCADHSA-N 1 3 323.525 2.449 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001183765556 795926726 /nfs/dbraw/zinc/92/67/26/795926726.db2.gz VPTOQNJAMRYYDK-QGZVFWFLSA-N 1 3 317.477 2.416 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H](C[NH2+]CCC(C)C)[C@@H](C)C1 ZINC001185361441 796238485 /nfs/dbraw/zinc/23/84/85/796238485.db2.gz YMYPTFLOJLGJQF-DLBZAZTESA-N 1 3 311.514 2.449 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CC=C(C)C)[C@H](C)C1 ZINC001185546210 796288750 /nfs/dbraw/zinc/28/87/50/796288750.db2.gz BEEDCFWNJHBADQ-SJORKVTESA-N 1 3 309.498 2.369 20 0 DEADHO C[N@@H+]1CCC[C@H](C(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC001186346125 796398139 /nfs/dbraw/zinc/39/81/39/796398139.db2.gz UDFQEROLEMQRTP-KRWDZBQOSA-N 1 3 307.482 2.053 20 0 DEADHO C[N@H+]1CCC[C@H](C(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC001186346125 796398145 /nfs/dbraw/zinc/39/81/45/796398145.db2.gz UDFQEROLEMQRTP-KRWDZBQOSA-N 1 3 307.482 2.053 20 0 DEADHO N[C@@H](CC1CCCC1)C(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161207686 796492146 /nfs/dbraw/zinc/49/21/46/796492146.db2.gz CWKGPUVNUBOBNR-KRWDZBQOSA-N 1 3 307.482 2.132 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2C[C@H]([NH2+]CCC3CC3)C23CCC3)CCC1 ZINC001203028059 796515136 /nfs/dbraw/zinc/51/51/36/796515136.db2.gz KIBRHINZBNBJOS-JKSUJKDBSA-N 1 3 319.493 2.288 20 0 DEADHO CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001188139026 796630765 /nfs/dbraw/zinc/63/07/65/796630765.db2.gz GGXBBSXXTICUMV-DJAVDHGHSA-N 1 3 307.482 2.408 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)N(CC)CC)[C@@H]2C1 ZINC001189110024 796764503 /nfs/dbraw/zinc/76/45/03/796764503.db2.gz JRPQQASZAKZTKI-GVDBMIGSSA-N 1 3 309.498 2.440 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)N(CC)CC)[C@@H]2C1 ZINC001189110024 796764504 /nfs/dbraw/zinc/76/45/04/796764504.db2.gz JRPQQASZAKZTKI-GVDBMIGSSA-N 1 3 309.498 2.440 20 0 DEADHO CCn1cc(CN2CCC(COCC[NH+]3CCCC3)CC2)cn1 ZINC001205513694 796992222 /nfs/dbraw/zinc/99/22/22/796992222.db2.gz LHYYXSFMJJVLSL-UHFFFAOYSA-N 1 3 320.481 2.227 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+][C@H]1CCc2ccccc21 ZINC001152457069 797191105 /nfs/dbraw/zinc/19/11/05/797191105.db2.gz ARFRBANVCFTVJZ-ROUUACIJSA-N 1 3 315.461 2.254 20 0 DEADHO [NH3+]C[C@@]1(F)CCCN(Cc2cc(F)cc3c2OCOC3)CC1 ZINC001205570406 797251167 /nfs/dbraw/zinc/25/11/67/797251167.db2.gz JUMRKTUYXFARRL-MRXNPFEDSA-N 1 3 312.360 2.345 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCCC2CCC2)C1)N(C)C ZINC001192385489 797378617 /nfs/dbraw/zinc/37/86/17/797378617.db2.gz HTIXYCTURGSAOW-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCC2)C1)N(C)C ZINC001192385489 797378623 /nfs/dbraw/zinc/37/86/23/797378623.db2.gz HTIXYCTURGSAOW-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)=CC[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001192407533 797385647 /nfs/dbraw/zinc/38/56/47/797385647.db2.gz WECLALJJOJWOSR-MRXNPFEDSA-N 1 3 309.498 2.463 20 0 DEADHO CC(C)=CC[N@H+](C)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001192407533 797385654 /nfs/dbraw/zinc/38/56/54/797385654.db2.gz WECLALJJOJWOSR-MRXNPFEDSA-N 1 3 309.498 2.463 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)CC2CCCCC2)C1 ZINC001192946719 797473811 /nfs/dbraw/zinc/47/38/11/797473811.db2.gz FEVYQHMDJFMTFZ-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001192946719 797473813 /nfs/dbraw/zinc/47/38/13/797473813.db2.gz FEVYQHMDJFMTFZ-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2C)C1 ZINC001192957968 797474893 /nfs/dbraw/zinc/47/48/93/797474893.db2.gz CMBAXHYTUNFBFI-GOSISDBHSA-N 1 3 317.477 2.370 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2C)C1 ZINC001192957968 797474895 /nfs/dbraw/zinc/47/48/95/797474895.db2.gz CMBAXHYTUNFBFI-GOSISDBHSA-N 1 3 317.477 2.370 20 0 DEADHO CC(C)CC[NH2+][C@@H]1C[C@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203791067 797698800 /nfs/dbraw/zinc/69/88/00/797698800.db2.gz CEBXJNMKWJHNIN-CVEARBPZSA-N 1 3 309.498 2.390 20 0 DEADHO CC[N@H+](CCCCCF)[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001155255586 797719283 /nfs/dbraw/zinc/71/92/83/797719283.db2.gz VAYHCULIQFNVJF-HZPDHXFCSA-N 1 3 315.477 2.295 20 0 DEADHO CC[N@@H+](CCCCCF)[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001155255586 797719286 /nfs/dbraw/zinc/71/92/86/797719286.db2.gz VAYHCULIQFNVJF-HZPDHXFCSA-N 1 3 315.477 2.295 20 0 DEADHO C[NH+](C)CC1(C(=O)N2CCCN(CCCCCF)CC2)CC1 ZINC001196952761 798129947 /nfs/dbraw/zinc/12/99/47/798129947.db2.gz AZFGUYYTTUDQGT-UHFFFAOYSA-N 1 3 313.461 2.002 20 0 DEADHO Cc1ccc(CCN2CCCN(C(=O)CC[NH+](C)C)CC2)cc1 ZINC001197045020 798137339 /nfs/dbraw/zinc/13/73/39/798137339.db2.gz ZIPCJYFUFMAFHE-UHFFFAOYSA-N 1 3 317.477 2.024 20 0 DEADHO C[N@@H+]1CCC[C@H]2CN(c3ncccc3CN3CCCC3)C[C@H]21 ZINC001157281329 798176251 /nfs/dbraw/zinc/17/62/51/798176251.db2.gz FTWJSQSOOCFCBY-DOTOQJQBSA-N 1 3 300.450 2.208 20 0 DEADHO C[N@H+]1CCC[C@H]2CN(c3ncccc3CN3CCCC3)C[C@H]21 ZINC001157281329 798176255 /nfs/dbraw/zinc/17/62/55/798176255.db2.gz FTWJSQSOOCFCBY-DOTOQJQBSA-N 1 3 300.450 2.208 20 0 DEADHO CC[C@H](C)[C@@H]([NH3+])CC(=O)N1CCN(CC2CCCCC2)CC1 ZINC001157579528 798235287 /nfs/dbraw/zinc/23/52/87/798235287.db2.gz OBGVZQKUKQGLAE-RDJZCZTQSA-N 1 3 309.498 2.474 20 0 DEADHO CC(C)Oc1cccc(C[NH2+]CCNC(=O)CN(C)C(C)C)c1 ZINC001152439168 798316778 /nfs/dbraw/zinc/31/67/78/798316778.db2.gz CGMDHEPMDANIOG-UHFFFAOYSA-N 1 3 321.465 2.020 20 0 DEADHO Cc1cc(C)c(C[NH2+]CCNC(=O)CN(C)C(C)C)c(C)c1 ZINC001152439864 798318835 /nfs/dbraw/zinc/31/88/35/798318835.db2.gz SZKZSPLIYQXDTD-UHFFFAOYSA-N 1 3 305.466 2.158 20 0 DEADHO O=C(c1ccc2c(c1)CNC2)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158339856 798386596 /nfs/dbraw/zinc/38/65/96/798386596.db2.gz WELFLUWVFHVIOB-RBUKOAKNSA-N 1 3 319.408 2.001 20 0 DEADHO [NH3+]CCCCCCCC(=O)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158335563 798386980 /nfs/dbraw/zinc/38/69/80/798386980.db2.gz CGGVKIWNNIVWAN-ZWKOTPCHSA-N 1 3 315.461 2.384 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC001203925903 798441473 /nfs/dbraw/zinc/44/14/73/798441473.db2.gz YNMCUVKTNLBBQX-UHFFFAOYSA-N 1 3 321.440 2.247 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC[C@@H](C)F ZINC001158786861 798468552 /nfs/dbraw/zinc/46/85/52/798468552.db2.gz IXJGFQLAUSGIHL-HZPDHXFCSA-N 1 3 315.477 2.389 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC[C@@H](C)F ZINC001158786861 798468556 /nfs/dbraw/zinc/46/85/56/798468556.db2.gz IXJGFQLAUSGIHL-HZPDHXFCSA-N 1 3 315.477 2.389 20 0 DEADHO Cc1cccc(C)c1C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159854665 798618724 /nfs/dbraw/zinc/61/87/24/798618724.db2.gz QEUJQMUPSWTJQX-UHFFFAOYSA-N 1 3 317.477 2.384 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)[C@H](C2CC2)N(C)C)c1 ZINC001159931772 798628224 /nfs/dbraw/zinc/62/82/24/798628224.db2.gz HTQDSJIUKLLHGF-QAPCUYQASA-N 1 3 317.477 2.492 20 0 DEADHO CCCC[N@H+](C)CCCNC(=S)NCCN1CCCCC1 ZINC001200436857 798637470 /nfs/dbraw/zinc/63/74/70/798637470.db2.gz BGNQGQJDRTZBIW-UHFFFAOYSA-N 1 3 314.543 2.058 20 0 DEADHO CCCC[N@@H+](C)CCCNC(=S)NCCN1CCCCC1 ZINC001200436857 798637474 /nfs/dbraw/zinc/63/74/74/798637474.db2.gz BGNQGQJDRTZBIW-UHFFFAOYSA-N 1 3 314.543 2.058 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)CN(C)C2CCC2)cc1F ZINC001159997543 798637830 /nfs/dbraw/zinc/63/78/30/798637830.db2.gz RFUIPVUGVLFLEB-UHFFFAOYSA-N 1 3 321.440 2.214 20 0 DEADHO Cc1ccc(C)c(C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001160420959 798686951 /nfs/dbraw/zinc/68/69/51/798686951.db2.gz MTTQTRGZAFCASW-SFHVURJKSA-N 1 3 319.493 2.486 20 0 DEADHO CC/C=C\CC[NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001201053090 798711501 /nfs/dbraw/zinc/71/15/01/798711501.db2.gz KKKFKQVLYKTSKS-OSJSJHBBSA-N 1 3 307.482 2.264 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]CCC(F)(F)F)CC1 ZINC001201321793 798739568 /nfs/dbraw/zinc/73/95/68/798739568.db2.gz WGLMADUVPJSVPD-UHFFFAOYSA-N 1 3 323.403 2.250 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+]C/C=C/c1ccccc1)N(C)C ZINC001160877415 798753385 /nfs/dbraw/zinc/75/33/85/798753385.db2.gz WPNHXGXBVCEZFA-FWVUHSSSSA-N 1 3 303.450 2.136 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+]Cc1cc(C)sc1C)N(C)C ZINC001160889341 798756028 /nfs/dbraw/zinc/75/60/28/798756028.db2.gz JGCFHELTSQOFMI-OAHLLOKOSA-N 1 3 311.495 2.301 20 0 DEADHO CC(C)N(C(=O)[C@@H]1CCC[C@@H](c2ccccc2)N1)[C@H]1CC[NH2+]C1 ZINC001161352565 798834625 /nfs/dbraw/zinc/83/46/25/798834625.db2.gz CRWAPNRWBPZMPH-BZSNNMDCSA-N 1 3 315.461 2.469 20 0 DEADHO [NH3+]C1CCN(c2cccc(N[C@@H]3CCCc4nccnc43)n2)CC1 ZINC001161407891 798848663 /nfs/dbraw/zinc/84/86/63/798848663.db2.gz AGAVLZVLRJKCCX-OAHLLOKOSA-N 1 3 324.432 2.289 20 0 DEADHO CN1CCN(CCCNc2ccc([C@@H]3CCC[NH2+]3)cc2)CC1 ZINC001161708886 798919261 /nfs/dbraw/zinc/91/92/61/798919261.db2.gz WGNWONBPHBABLM-SFHVURJKSA-N 1 3 302.466 2.161 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)C ZINC001110734322 798998801 /nfs/dbraw/zinc/99/88/01/798998801.db2.gz IECFNGVEFBHMOI-OAGGEKHMSA-N 1 3 309.498 2.484 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C ZINC001110734322 798998805 /nfs/dbraw/zinc/99/88/05/798998805.db2.gz IECFNGVEFBHMOI-OAGGEKHMSA-N 1 3 309.498 2.484 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)[C@@H]3CCCN3CCC)[C@@H]2C1 ZINC001114369038 799072470 /nfs/dbraw/zinc/07/24/70/799072470.db2.gz YBWMYRCOVSWMHO-JUVDXXQXSA-N 1 3 319.493 2.264 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)[C@@H]3CCCN3CCC)[C@@H]2C1 ZINC001114369038 799072477 /nfs/dbraw/zinc/07/24/77/799072477.db2.gz YBWMYRCOVSWMHO-JUVDXXQXSA-N 1 3 319.493 2.264 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC3=CCCCC3)C[C@H]21)N(C)C ZINC001114439167 799110757 /nfs/dbraw/zinc/11/07/57/799110757.db2.gz JGUAFNYBGFORCK-MLHJIOFPSA-N 1 3 319.493 2.119 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3=CCCCC3)C[C@H]21)N(C)C ZINC001114439167 799110761 /nfs/dbraw/zinc/11/07/61/799110761.db2.gz JGUAFNYBGFORCK-MLHJIOFPSA-N 1 3 319.493 2.119 20 0 DEADHO NCc1ccnn1-c1ccc(CO[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001162597878 799127170 /nfs/dbraw/zinc/12/71/70/799127170.db2.gz MLHADELNUYZZKF-IAGOWNOFSA-N 1 3 300.406 2.118 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21)N(C)C ZINC001114463050 799129166 /nfs/dbraw/zinc/12/91/66/799129166.db2.gz DAGIURWOXPULAH-QXSJWSMHSA-N 1 3 309.498 2.199 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21)N(C)C ZINC001114463050 799129170 /nfs/dbraw/zinc/12/91/70/799129170.db2.gz DAGIURWOXPULAH-QXSJWSMHSA-N 1 3 309.498 2.199 20 0 DEADHO c1ccc([C@@H]2[NH2+]CC[C@H]2Nc2ccc3c(n2)OCCNC3)cc1 ZINC001163209304 799277312 /nfs/dbraw/zinc/27/73/12/799277312.db2.gz GEHFUUNTFZUTHJ-WBVHZDCISA-N 1 3 310.401 2.079 20 0 DEADHO CN(C)C1(CNc2cc3c(ncnc3Cl)[nH]2)CC[NH+](C)CC1 ZINC001164211680 799539382 /nfs/dbraw/zinc/53/93/82/799539382.db2.gz SVZPLYYXNVYZRN-UHFFFAOYSA-N 1 3 322.844 2.049 20 0 DEADHO CN(C)C1(CNc2cccc(C3COC3)c2)CC[NH+](C)CC1 ZINC001164212776 799540205 /nfs/dbraw/zinc/54/02/05/799540205.db2.gz CFXQRHUHPQCVPB-UHFFFAOYSA-N 1 3 303.450 2.238 20 0 DEADHO CN(C)C1(CNc2cnc3[nH]cc(F)c3c2)CC[NH+](C)CC1 ZINC001164213370 799540640 /nfs/dbraw/zinc/54/06/40/799540640.db2.gz UAVWVDOWPRQNTM-UHFFFAOYSA-N 1 3 305.401 2.140 20 0 DEADHO CC[N@@H+]1CCCC[C@H]1c1ccc(-n2ncc3c2CCNC3)nc1 ZINC001165222560 799677821 /nfs/dbraw/zinc/67/78/21/799677821.db2.gz DTJGKJXKHLQZPC-INIZCTEOSA-N 1 3 311.433 2.460 20 0 DEADHO CC[N@H+]1CCCC[C@H]1c1ccc(-n2ncc3c2CCNC3)nc1 ZINC001165222560 799677827 /nfs/dbraw/zinc/67/78/27/799677827.db2.gz DTJGKJXKHLQZPC-INIZCTEOSA-N 1 3 311.433 2.460 20 0 DEADHO CC[C@H](F)C[NH2+]CC1(CCNC(=O)CN(C)C2CCC2)CC1 ZINC001165501425 799737952 /nfs/dbraw/zinc/73/79/52/799737952.db2.gz HVFMXBXLENVSIQ-AWEZNQCLSA-N 1 3 313.461 2.095 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC1(C[NH2+]CC2CCC2)CC1)N(C)C ZINC001165617660 799752065 /nfs/dbraw/zinc/75/20/65/799752065.db2.gz QOEOUQQFRXJNJH-INIZCTEOSA-N 1 3 309.498 2.249 20 0 DEADHO Cc1cc(C)cc(C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001166004577 799811504 /nfs/dbraw/zinc/81/15/04/799811504.db2.gz SIISYABJRMEXPF-GOSISDBHSA-N 1 3 319.493 2.486 20 0 DEADHO CCc1cccc(C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001166004821 799812378 /nfs/dbraw/zinc/81/23/78/799812378.db2.gz ZHRNJTKRQPSPRU-GOSISDBHSA-N 1 3 319.493 2.431 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001166678116 799918124 /nfs/dbraw/zinc/91/81/24/799918124.db2.gz SHNGCTDOOTUBAF-IAGOWNOFSA-N 1 3 317.477 2.494 20 0 DEADHO CC[C@@H](F)C[NH2+]CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001166687568 799921327 /nfs/dbraw/zinc/92/13/27/799921327.db2.gz WZXAGSMSOXNRSN-CJNGLKHVSA-N 1 3 319.440 2.043 20 0 DEADHO CC1(C)CCN(CC(=O)NCCC[NH2+]Cc2ccc(F)cc2)C1 ZINC001166758927 799943060 /nfs/dbraw/zinc/94/30/60/799943060.db2.gz NCTLRMAGKQWAFJ-UHFFFAOYSA-N 1 3 321.440 2.154 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)c1cccc(F)c1)N(C)C ZINC001166852173 799966018 /nfs/dbraw/zinc/96/60/18/799966018.db2.gz NDUMVIVXUGKHDO-BBRMVZONSA-N 1 3 309.429 2.323 20 0 DEADHO Cc1ccc(Cl)cc1N1CCN(CC[C@@H]2C[NH2+]CCO2)CC1 ZINC001204897363 800272170 /nfs/dbraw/zinc/27/21/70/800272170.db2.gz YNDXTBWGBMLXKV-MRXNPFEDSA-N 1 3 323.868 2.149 20 0 DEADHO COc1ccc(OC(C)C)c(CN2CCC[C@@](O)(C[NH3+])CC2)c1 ZINC001205239404 800328077 /nfs/dbraw/zinc/32/80/77/800328077.db2.gz ADYOPEHSLGJEOB-SFHVURJKSA-N 1 3 322.449 2.158 20 0 DEADHO CC(C)Oc1cccc(CN2CCC[C@@](O)(C[NH3+])CC2)c1F ZINC001205247985 800330164 /nfs/dbraw/zinc/33/01/64/800330164.db2.gz LNDWEHGGYWUNHG-KRWDZBQOSA-N 1 3 310.413 2.289 20 0 DEADHO C[NH+](C)CCCN1CCN(Cc2cccc3[nH]ccc32)CC1 ZINC001205289660 800337847 /nfs/dbraw/zinc/33/78/47/800337847.db2.gz BTVQSTMUKWQJKD-UHFFFAOYSA-N 1 3 300.450 2.237 20 0 DEADHO COC(=O)c1ccc(OC)c(CN2CCC[C@](F)(C[NH3+])CC2)c1 ZINC001205546060 800373632 /nfs/dbraw/zinc/37/36/32/800373632.db2.gz PVHJJFHVYLRZGI-QGZVFWFLSA-N 1 3 324.396 2.135 20 0 DEADHO C[C@H]1CC[C@H](CN)[N@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC001205807034 800424331 /nfs/dbraw/zinc/42/43/31/800424331.db2.gz XJJCWDXNWUTGSM-QFBILLFUSA-N 1 3 317.477 2.078 20 0 DEADHO C[C@H]1CC[C@H](CN)[N@@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC001205807034 800424333 /nfs/dbraw/zinc/42/43/33/800424333.db2.gz XJJCWDXNWUTGSM-QFBILLFUSA-N 1 3 317.477 2.078 20 0 DEADHO CNc1nc(SC)ncc1CN1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206002813 800456427 /nfs/dbraw/zinc/45/64/27/800456427.db2.gz BNSCGUUSPHYQFY-NEPJUHHUSA-N 1 3 309.483 2.047 20 0 DEADHO C[C@H]1CN(Cc2cnn3ccc(Cl)nc23)CCC[C@H]1C[NH3+] ZINC001206036130 800462592 /nfs/dbraw/zinc/46/25/92/800462592.db2.gz GXGCMYBACJYQFS-RYUDHWBXSA-N 1 3 307.829 2.190 20 0 DEADHO CCOC(=O)c1[nH]c(C)c(C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)c1C ZINC001206167508 800482607 /nfs/dbraw/zinc/48/26/07/800482607.db2.gz ZOMUAIKHNZGBFC-KGLIPLIRSA-N 1 3 311.401 2.069 20 0 DEADHO CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)c1C ZINC001206167508 800482608 /nfs/dbraw/zinc/48/26/08/800482608.db2.gz ZOMUAIKHNZGBFC-KGLIPLIRSA-N 1 3 311.401 2.069 20 0 DEADHO N[C@H]1CC[N@H+](Cc2ccc(C(=O)N3CCCC3)cc2)CC[C@@H]1F ZINC001206165600 800482788 /nfs/dbraw/zinc/48/27/88/800482788.db2.gz ORKOJVOZZQNPGU-IRXDYDNUSA-N 1 3 319.424 2.184 20 0 DEADHO N[C@H]1CC[N@@H+](Cc2ccc(C(=O)N3CCCC3)cc2)CC[C@@H]1F ZINC001206165600 800482790 /nfs/dbraw/zinc/48/27/90/800482790.db2.gz ORKOJVOZZQNPGU-IRXDYDNUSA-N 1 3 319.424 2.184 20 0 DEADHO COc1ccc(-c2cnn(CC[NH+](C)C)c2)cc1CN(C)C ZINC001206359283 800518032 /nfs/dbraw/zinc/51/80/32/800518032.db2.gz FGIPMDNZOVLAGK-UHFFFAOYSA-N 1 3 302.422 2.182 20 0 DEADHO C[C@@]1(C[NH3+])CCCCN(Cc2cccc(N3CCOCC3)c2)C1 ZINC001206572542 800557119 /nfs/dbraw/zinc/55/71/19/800557119.db2.gz CLZISLFFBDPCIU-IBGZPJMESA-N 1 3 317.477 2.474 20 0 DEADHO [NH3+]C[C@H]1CCCCN(Cc2ccc(N3CCC(O)CC3)s2)C1 ZINC001206622828 800566717 /nfs/dbraw/zinc/56/67/17/800566717.db2.gz HGXVJJOWAQNSKV-CQSZACIVSA-N 1 3 323.506 2.270 20 0 DEADHO O=c1cccc(CN2CCC(COCC[NH+]3CCCC3)CC2)[nH]1 ZINC001207065495 800671596 /nfs/dbraw/zinc/67/15/96/800671596.db2.gz RHJQRHPQNGPRHB-UHFFFAOYSA-N 1 3 319.449 2.112 20 0 DEADHO CN(C)CC(C)(C)C[NH+]1C[C@H]2CN(Cc3cccnc3)C[C@@H]2C1 ZINC001207279603 800722419 /nfs/dbraw/zinc/72/24/19/800722419.db2.gz LUOWCPQMUQWZAO-QZTJIDSGSA-N 1 3 316.493 2.033 20 0 DEADHO NC(=O)[C@@H]1CCCCN1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207291712 800724655 /nfs/dbraw/zinc/72/46/55/800724655.db2.gz VMLZUVWJMIGBGC-SFHVURJKSA-N 1 3 315.461 2.238 20 0 DEADHO CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001111164379 800855852 /nfs/dbraw/zinc/85/58/52/800855852.db2.gz WTLJIAOPEPPSBQ-NCOADZHNSA-N 1 3 309.498 2.484 20 0 DEADHO CN(C)CC1(C[N@@H+]2CCCN(c3ncccn3)CC2)CCCC1 ZINC001208186207 800925117 /nfs/dbraw/zinc/92/51/17/800925117.db2.gz OSTAJFUFSUXBJV-UHFFFAOYSA-N 1 3 317.481 2.111 20 0 DEADHO CN(C)CC1(C[N@H+]2CCCN(c3ncccn3)CC2)CCCC1 ZINC001208186207 800925119 /nfs/dbraw/zinc/92/51/19/800925119.db2.gz OSTAJFUFSUXBJV-UHFFFAOYSA-N 1 3 317.481 2.111 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCCCCF)C1)N(C)C ZINC001208372987 800968951 /nfs/dbraw/zinc/96/89/51/800968951.db2.gz FWEYMDAQBJSHIM-HOTGVXAUSA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCCCCF)C1)N(C)C ZINC001208414840 800979561 /nfs/dbraw/zinc/97/95/61/800979561.db2.gz YRWXCGKPDZYJQD-HUUCEWRRSA-N 1 3 301.450 2.047 20 0 DEADHO CC(=O)N1CCC(C[NH+]2CCC(N3CCCCC3)CC2)CC1 ZINC001208673706 801043904 /nfs/dbraw/zinc/04/39/04/801043904.db2.gz UVMOBKHGOUTIBU-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN(C[C@@H]3C[C@H]3C)CC2)C1 ZINC001209419839 801189664 /nfs/dbraw/zinc/18/96/64/801189664.db2.gz ZFMOQCYGEYXBSR-OAGGEKHMSA-N 1 3 308.466 2.382 20 0 DEADHO CCOC(=O)[C@@H]1CCC[N@H+](C2CCN(C[C@@H]3C[C@H]3C)CC2)C1 ZINC001209419839 801189666 /nfs/dbraw/zinc/18/96/66/801189666.db2.gz ZFMOQCYGEYXBSR-OAGGEKHMSA-N 1 3 308.466 2.382 20 0 DEADHO Cc1ccc(F)c(CN[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001209456342 801194821 /nfs/dbraw/zinc/19/48/21/801194821.db2.gz ZUMBGIZRGYNPJN-MRXNPFEDSA-N 1 3 321.440 2.166 20 0 DEADHO C[NH+](C)CCC(=O)NC1CCN(Cc2ccc(CF)cc2)CC1 ZINC001228992135 801206963 /nfs/dbraw/zinc/20/69/63/801206963.db2.gz ODTDGNNNMNCZEQ-UHFFFAOYSA-N 1 3 321.440 2.188 20 0 DEADHO C[NH+](C)CCC(=O)NC1CCN(C/C=C\c2ccccc2)CC1 ZINC001228992329 801207004 /nfs/dbraw/zinc/20/70/04/801207004.db2.gz PLTRPSGAVUBHCR-TWGQIWQCSA-N 1 3 315.461 2.232 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001209633365 801239992 /nfs/dbraw/zinc/23/99/92/801239992.db2.gz TTZZBCBYJNDZQF-CHWSQXEVSA-N 1 3 321.387 2.004 20 0 DEADHO CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001209633211 801240283 /nfs/dbraw/zinc/24/02/83/801240283.db2.gz SQDWLLDIMWFDSA-PPPANMTLSA-N 1 3 307.482 2.408 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001210219076 801353205 /nfs/dbraw/zinc/35/32/05/801353205.db2.gz SMTMFFLXUKAHFS-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CCCC1CCC1 ZINC001214861000 801768592 /nfs/dbraw/zinc/76/85/92/801768592.db2.gz DXVNNVVELRKHJC-CRAIPNDOSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001215541055 801872889 /nfs/dbraw/zinc/87/28/89/801872889.db2.gz WCBUSMFRKIZRTK-GVDBMIGSSA-N 1 3 309.498 2.201 20 0 DEADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCF)C1 ZINC001215972871 801922954 /nfs/dbraw/zinc/92/29/54/801922954.db2.gz ALJRXAZMALAGMH-HZPDHXFCSA-N 1 3 315.477 2.295 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCC2)C1 ZINC001216001424 801925583 /nfs/dbraw/zinc/92/55/83/801925583.db2.gz AWABIXUGXAVMCY-NVXWUHKLSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCC2)C1 ZINC001216514286 801982292 /nfs/dbraw/zinc/98/22/92/801982292.db2.gz CSKPXKHBAXAQLF-NVXWUHKLSA-N 1 3 309.498 2.345 20 0 DEADHO CCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C ZINC001216845144 802032467 /nfs/dbraw/zinc/03/24/67/802032467.db2.gz ZFUAUYJCKQFWLW-BRWVUGGUSA-N 1 3 309.498 2.488 20 0 DEADHO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(O)c4[nH]c(=O)ccc34)C[C@@H]2C1 ZINC001233292561 802066553 /nfs/dbraw/zinc/06/65/53/802066553.db2.gz POVXDLLVGZNMOM-OCCSQVGLSA-N 1 3 313.401 2.030 20 0 DEADHO C[N@H+]1CC[C@@H]2CN(Cc3ccc(O)c4[nH]c(=O)ccc34)C[C@@H]2C1 ZINC001233292561 802066555 /nfs/dbraw/zinc/06/65/55/802066555.db2.gz POVXDLLVGZNMOM-OCCSQVGLSA-N 1 3 313.401 2.030 20 0 DEADHO Cc1ccc(-c2nnc(CNCC3CC[NH2+]CC3)o2)cc1C ZINC001217757995 802112712 /nfs/dbraw/zinc/11/27/12/802112712.db2.gz VGOUMIBAHGIDPZ-UHFFFAOYSA-N 1 3 300.406 2.443 20 0 DEADHO c1ccc2c(c1)CNC[C@H]2Oc1ccccc1N1CC[NH2+]CC1 ZINC001218491120 802190237 /nfs/dbraw/zinc/19/02/37/802190237.db2.gz VIYXNZAEPUAATM-LJQANCHMSA-N 1 3 309.413 2.320 20 0 DEADHO c1ccc2c(c1)CNC[C@@H]2Oc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001218493700 802190412 /nfs/dbraw/zinc/19/04/12/802190412.db2.gz VZLMYSLXLVTLHH-FQEVSTJZSA-N 1 3 323.440 2.315 20 0 DEADHO N[C@@H](CCC[NH3+])C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC001218830207 802248365 /nfs/dbraw/zinc/24/83/65/802248365.db2.gz IVFGXDSIPGUVHB-VIFPVBQESA-N 1 3 309.719 2.364 20 0 DEADHO Cn1ccc2cc(NC(=O)[C@@H](N)CCCC[NH+](C)C)ccc21 ZINC001218861926 802250631 /nfs/dbraw/zinc/25/06/31/802250631.db2.gz KAGYEPAJQSHMAT-HNNXBMFYSA-N 1 3 302.422 2.176 20 0 DEADHO Cc1n[nH]c2cc(NC(=O)[C@@H](N)CCCC[NH+](C)C)cc(F)c12 ZINC001218932621 802261917 /nfs/dbraw/zinc/26/19/17/802261917.db2.gz OKUFPZXUPHMHKN-ZDUSSCGKSA-N 1 3 321.400 2.008 20 0 DEADHO N[C@H](C(=O)Nc1ccc2cc(F)ccc2c1)C1CC[NH2+]CC1 ZINC001218982975 802268920 /nfs/dbraw/zinc/26/89/20/802268920.db2.gz WTBCRYYGKZIHLS-INIZCTEOSA-N 1 3 301.365 2.244 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cccc2c1C(=O)CCC2 ZINC001219256235 802303008 /nfs/dbraw/zinc/30/30/08/802303008.db2.gz QFLPKBSEPRQDAV-AWEZNQCLSA-N 1 3 317.433 2.203 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@@H]1CCCc2cccnc21 ZINC001220225904 802429270 /nfs/dbraw/zinc/42/92/70/802429270.db2.gz LKIXSDAJZFSCRE-JKSUJKDBSA-N 1 3 318.465 2.071 20 0 DEADHO CN[C@H](Cc1ccccc1)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC001220332418 802445346 /nfs/dbraw/zinc/44/53/46/802445346.db2.gz LTBBUBAIKMQREI-SJLPKXTDSA-N 1 3 317.477 2.054 20 0 DEADHO CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]1CCC[C@@H](c2ccccc2)N1 ZINC001220859675 802505596 /nfs/dbraw/zinc/50/55/96/802505596.db2.gz JBRRFTRLBIJXDZ-XHSDSOJGSA-N 1 3 303.450 2.359 20 0 DEADHO COC(=O)c1cccc2[nH]cc(CN3CCC(F)(C[NH3+])CC3)c21 ZINC001222539360 802704300 /nfs/dbraw/zinc/70/43/00/802704300.db2.gz YLGBOMHKADJTEH-UHFFFAOYSA-N 1 3 319.380 2.217 20 0 DEADHO CCCCC[NH+]1CCC(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001223457317 802791979 /nfs/dbraw/zinc/79/19/79/802791979.db2.gz KDZYDSREBLQATB-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCC1CC[NH+](CCC2CC2)CC1 ZINC001224538557 802880388 /nfs/dbraw/zinc/88/03/88/802880388.db2.gz XYXRDALZLMUHAJ-OAHLLOKOSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1CC[NH+](CC2CCC2)CC1 ZINC001225541372 802979601 /nfs/dbraw/zinc/97/96/01/802979601.db2.gz AWDURWZGKFDKOE-IYBDPMFKSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCF ZINC001226161997 803064233 /nfs/dbraw/zinc/06/42/33/803064233.db2.gz UROYYODAVLLWPX-BZUAXINKSA-N 1 3 313.461 2.236 20 0 DEADHO C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccccc1F ZINC001228367042 803350978 /nfs/dbraw/zinc/35/09/78/803350978.db2.gz ZIDHIQBFILMOCT-IAGOWNOFSA-N 1 3 321.440 2.294 20 0 DEADHO CC[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001418619393 1167847475 /nfs/dbraw/zinc/84/74/75/1167847475.db2.gz TUBAGRZEVFCKRK-WCXIOVBPSA-N 1 3 309.498 2.390 20 0 DEADHO CN(CC(=O)NCC[C@@H]1CC[N@H+](CCCF)C1)CC(C)(C)C ZINC001418909891 1168056912 /nfs/dbraw/zinc/05/69/12/1168056912.db2.gz VHGUMCAUYAOVIN-OAHLLOKOSA-N 1 3 315.477 2.152 20 0 DEADHO CN(CC(=O)NCC[C@@H]1CC[N@@H+](CCCF)C1)CC(C)(C)C ZINC001418909891 1168056918 /nfs/dbraw/zinc/05/69/18/1168056918.db2.gz VHGUMCAUYAOVIN-OAHLLOKOSA-N 1 3 315.477 2.152 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1)N(C)C ZINC001419529910 1168577513 /nfs/dbraw/zinc/57/75/13/1168577513.db2.gz RLENAEOIHARQPF-DOTOQJQBSA-N 1 3 305.466 2.115 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]([N@H+](C)CC2CCCC2)C1 ZINC001420043176 1169098287 /nfs/dbraw/zinc/09/82/87/1169098287.db2.gz CUFRCSJALXVGRS-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]([N@@H+](C)CC2CCCC2)C1 ZINC001420043176 1169098294 /nfs/dbraw/zinc/09/82/94/1169098294.db2.gz CUFRCSJALXVGRS-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)NCc1ccccc1Cl ZINC001368873522 1148738146 /nfs/dbraw/zinc/73/81/46/1148738146.db2.gz WLQACLFPDJTGSQ-QWHCGFSZSA-N 1 3 311.857 2.275 20 0 DEADHO C[C@H]([NH2+]C/C=C\Cl)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001368348023 1148420768 /nfs/dbraw/zinc/42/07/68/1148420768.db2.gz YRCYPZNXVKCWRS-FXGKEJOTSA-N 1 3 313.873 2.050 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC001575139572 1069377148 /nfs/dbraw/zinc/37/71/48/1069377148.db2.gz NFDXVWCIBNTTNW-OAHLLOKOSA-N 1 3 318.465 2.015 20 0 DEADHO C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(-c2nnn[n-]2)cc1F ZINC001603662276 1070030687 /nfs/dbraw/zinc/03/06/87/1070030687.db2.gz JNJDKQQNVCVHOV-DGCLKSJQSA-N 1 3 318.400 2.189 20 0 DEADHO C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(-c2nn[n-]n2)cc1F ZINC001603662276 1070030695 /nfs/dbraw/zinc/03/06/95/1070030695.db2.gz JNJDKQQNVCVHOV-DGCLKSJQSA-N 1 3 318.400 2.189 20 0 DEADHO C[C@H](F)CC[N@H+](C)[C@@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001368976233 1148814621 /nfs/dbraw/zinc/81/46/21/1148814621.db2.gz HMSPDNRPJISEIC-KBPBESRZSA-N 1 3 303.466 2.149 20 0 DEADHO C[C@H](F)CC[N@@H+](C)[C@@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001368976233 1148814624 /nfs/dbraw/zinc/81/46/24/1148814624.db2.gz HMSPDNRPJISEIC-KBPBESRZSA-N 1 3 303.466 2.149 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C1C[NH+](CC2CCCCC2)C1)N(C)C ZINC001369078773 1148844129 /nfs/dbraw/zinc/84/41/29/1148844129.db2.gz WORYXNNRNYZZEC-WMLDXEAASA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](NC(=O)CN1CC[C@@H](C)C1)C1C[NH+](CCC(C)(C)C)C1 ZINC001369092115 1148847090 /nfs/dbraw/zinc/84/70/90/1148847090.db2.gz MCKBSDSCXGGTBM-CABCVRRESA-N 1 3 309.498 2.201 20 0 DEADHO CN(CCC[N@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)Cc1c[nH]cn1 ZINC001368562228 1148497729 /nfs/dbraw/zinc/49/77/29/1148497729.db2.gz YZPIIWGVMQOVKG-OAGGEKHMSA-N 1 3 318.465 2.169 20 0 DEADHO CN(CCC[N@@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)Cc1c[nH]cn1 ZINC001368562228 1148497734 /nfs/dbraw/zinc/49/77/34/1148497734.db2.gz YZPIIWGVMQOVKG-OAGGEKHMSA-N 1 3 318.465 2.169 20 0 DEADHO C[C@H](CC[NH+](C)C)C(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC001450689203 1056447813 /nfs/dbraw/zinc/44/78/13/1056447813.db2.gz HVRAYKJBHLFJMA-CZUORRHYSA-N 1 3 309.429 2.132 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]C/C=C\Cl)C[C@@H]1C ZINC001499858154 1058330318 /nfs/dbraw/zinc/33/03/18/1058330318.db2.gz RVYVLYJTACTHRD-XVMAMZMSSA-N 1 3 301.862 2.048 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001499945374 1058394104 /nfs/dbraw/zinc/39/41/04/1058394104.db2.gz VLAUOZWBYMWKEW-QGZVFWFLSA-N 1 3 307.482 2.409 20 0 DEADHO CN1C[C@@H]2C[N@H+](CCc3cccc4c3OC(F)(F)O4)C[C@]2(C)C1 ZINC001460876515 1058532123 /nfs/dbraw/zinc/53/21/23/1058532123.db2.gz WKRHBDDQIFSLFB-CJNGLKHVSA-N 1 3 324.371 2.434 20 0 DEADHO CN1C[C@@H]2C[N@@H+](CCc3cccc4c3OC(F)(F)O4)C[C@]2(C)C1 ZINC001460876515 1058532138 /nfs/dbraw/zinc/53/21/38/1058532138.db2.gz WKRHBDDQIFSLFB-CJNGLKHVSA-N 1 3 324.371 2.434 20 0 DEADHO CCCn1cc(CN(CCOC)CC2CC[NH+](C)CC2)c(C)n1 ZINC001462491867 1058837817 /nfs/dbraw/zinc/83/78/17/1058837817.db2.gz QLICILZADFYTMO-UHFFFAOYSA-N 1 3 322.497 2.392 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001501170453 1059345894 /nfs/dbraw/zinc/34/58/94/1059345894.db2.gz VTHMGBTWWKTBQO-OWLYRPNTSA-N 1 3 319.493 2.097 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001501170453 1059345916 /nfs/dbraw/zinc/34/59/16/1059345916.db2.gz VTHMGBTWWKTBQO-OWLYRPNTSA-N 1 3 319.493 2.097 20 0 DEADHO C[C@@H]([NH2+]CC1=CCCCC1)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001505625768 1060791974 /nfs/dbraw/zinc/79/19/74/1060791974.db2.gz NNBWVYFQPMFMQO-CABCVRRESA-N 1 3 307.482 2.454 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]1C[C@H]([NH2+]CCC2CC2)C1 ZINC001479417487 1061449183 /nfs/dbraw/zinc/44/91/83/1061449183.db2.gz VWBFTJXDDRIZBA-ZHZCFWQKSA-N 1 3 307.482 2.144 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1[C@@H]2CCC[N@H+](CC3CC3)[C@@H]2C1(C)C ZINC001479614600 1061523468 /nfs/dbraw/zinc/52/34/68/1061523468.db2.gz RPWFFSWBSCBFQG-JQHSSLGASA-N 1 3 321.509 2.342 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1[C@@H]2CCC[N@@H+](CC3CC3)[C@@H]2C1(C)C ZINC001479614600 1061523482 /nfs/dbraw/zinc/52/34/82/1061523482.db2.gz RPWFFSWBSCBFQG-JQHSSLGASA-N 1 3 321.509 2.342 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](C)CC1CCCC1 ZINC001479816713 1061829567 /nfs/dbraw/zinc/82/95/67/1061829567.db2.gz XFJUXKKPTICBQX-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)CC1CCCC1 ZINC001479816713 1061829587 /nfs/dbraw/zinc/82/95/87/1061829587.db2.gz XFJUXKKPTICBQX-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCc2ccccc2)C1)N(C)C ZINC001480146805 1062386634 /nfs/dbraw/zinc/38/66/34/1062386634.db2.gz HIYVREHVQUJXEI-KZNAEPCWSA-N 1 3 317.477 2.196 20 0 DEADHO CN(CC(=O)N1CCCC[C@H]1C[NH2+]CCCF)CC(C)(C)C ZINC001480361770 1062716235 /nfs/dbraw/zinc/71/62/35/1062716235.db2.gz TWOCIPLLWQEPDS-HNNXBMFYSA-N 1 3 315.477 2.295 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC1CCC([NH2+]CCCF)CC1 ZINC001480403145 1062807099 /nfs/dbraw/zinc/80/70/99/1062807099.db2.gz MFHXZNSMTKTAGU-GPANFISMSA-N 1 3 313.461 2.237 20 0 DEADHO C[C@@H]1[C@H](NCc2ccccc2F)CCN1C(=O)CCC[NH+](C)C ZINC001507290892 1063041559 /nfs/dbraw/zinc/04/15/59/1063041559.db2.gz RFUCYQKICVBOPK-RHSMWYFYSA-N 1 3 321.440 2.247 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CC[C@H](C[NH2+]C/C=C/Cl)C2)CCC1 ZINC001507397941 1063225972 /nfs/dbraw/zinc/22/59/72/1063225972.db2.gz ICIZWSLREYNDMW-JNGJTHOISA-N 1 3 313.873 2.098 20 0 DEADHO CC[N@H+](CCNC(=O)[C@H]1CCCCN1C(C)C)CCC1CC1 ZINC001493029977 1063491983 /nfs/dbraw/zinc/49/19/83/1063491983.db2.gz ZMZQSXQZVUSMCN-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@@H+](CCNC(=O)[C@H]1CCCCN1C(C)C)CCC1CC1 ZINC001493029977 1063491993 /nfs/dbraw/zinc/49/19/93/1063491993.db2.gz ZMZQSXQZVUSMCN-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCc1cncs1 ZINC001494998117 1064633053 /nfs/dbraw/zinc/63/30/53/1064633053.db2.gz CCEVYNGDMFLPNJ-KGLIPLIRSA-N 1 3 324.494 2.002 20 0 DEADHO CC[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCc1cncs1 ZINC001494998117 1064633059 /nfs/dbraw/zinc/63/30/59/1064633059.db2.gz CCEVYNGDMFLPNJ-KGLIPLIRSA-N 1 3 324.494 2.002 20 0 DEADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1csc(C)c1 ZINC001495148284 1064729042 /nfs/dbraw/zinc/72/90/42/1064729042.db2.gz ZRIAFOYBGZQIEW-OAHLLOKOSA-N 1 3 311.495 2.381 20 0 DEADHO CC[NH2+]C[C@@](C)(NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001495277408 1064802422 /nfs/dbraw/zinc/80/24/22/1064802422.db2.gz OWFGHOQOUBFVEZ-IAGOWNOFSA-N 1 3 313.461 2.093 20 0 DEADHO CN(C(=O)CC[NH+](C)C)[C@@H](CNCc1ccccc1F)C1CC1 ZINC001369216164 1148871379 /nfs/dbraw/zinc/87/13/79/1148871379.db2.gz ZCUTYSBZHSERKJ-KRWDZBQOSA-N 1 3 321.440 2.104 20 0 DEADHO CCCC[NH2+]CC[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001568678104 1065045045 /nfs/dbraw/zinc/04/50/45/1065045045.db2.gz LAVZTRSAOKNAID-PBHICJAKSA-N 1 3 315.477 2.483 20 0 DEADHO CC(C)[C@H](C(=O)NC/C=C\CNC/C=C\Cl)[NH+]1CCCC1 ZINC001568972293 1065221440 /nfs/dbraw/zinc/22/14/40/1065221440.db2.gz ZDZWKUWNEKGZFI-QVZGWNLDSA-N 1 3 313.873 2.121 20 0 DEADHO C[C@@H](C[NH2+][C@@H](C)c1ccccc1)N(C)C(=O)Cc1c[nH]cn1 ZINC001496172773 1065320986 /nfs/dbraw/zinc/32/09/86/1065320986.db2.gz YYUDZPLRVQUALO-KBPBESRZSA-N 1 3 300.406 2.150 20 0 DEADHO CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1ccccc1)N(C)C ZINC001569258738 1065399561 /nfs/dbraw/zinc/39/95/61/1065399561.db2.gz HCCZHFGLTAQODI-QGZVFWFLSA-N 1 3 305.466 2.211 20 0 DEADHO CN(CCN(C)C(=O)CC[NH+](C)C)Cc1ccc2c(c1)CCC2 ZINC001496776702 1065704625 /nfs/dbraw/zinc/70/46/25/1065704625.db2.gz GPAFJQUUHXSEBG-UHFFFAOYSA-N 1 3 317.477 2.017 20 0 DEADHO CCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001569825779 1065746084 /nfs/dbraw/zinc/74/60/84/1065746084.db2.gz IYYRANHGQSFMKP-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CCCCC[N@@H+]1CCC[C@@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001570187121 1065963256 /nfs/dbraw/zinc/96/32/56/1065963256.db2.gz HLHTXYBEFACMGI-OAHLLOKOSA-N 1 3 306.454 2.422 20 0 DEADHO CCCCC[N@H+]1CCC[C@@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001570187121 1065963268 /nfs/dbraw/zinc/96/32/68/1065963268.db2.gz HLHTXYBEFACMGI-OAHLLOKOSA-N 1 3 306.454 2.422 20 0 DEADHO CC(C)([NH3+])c1cc(CNCCc2ccc3c(c2)CCO3)on1 ZINC001575365242 1066277067 /nfs/dbraw/zinc/27/70/67/1066277067.db2.gz GXOAOYUQGZTPPW-UHFFFAOYSA-N 1 3 301.390 2.136 20 0 DEADHO CC(C)C[NH+]1CCC(C(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC001632701476 1078388889 /nfs/dbraw/zinc/38/88/89/1078388889.db2.gz MTJUYIANOLPUPT-OAHLLOKOSA-N 1 3 307.482 2.121 20 0 DEADHO C[C@H]1CN(C(=O)[C@H]2C[NH2+]CCC23CCC3)CCN1C1CCCC1 ZINC001576761508 1066681835 /nfs/dbraw/zinc/68/18/35/1066681835.db2.gz BVOVFYGVUWGPNE-DOTOQJQBSA-N 1 3 319.493 2.242 20 0 DEADHO C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)C[C@@H](C)N1 ZINC001576772170 1066686420 /nfs/dbraw/zinc/68/64/20/1066686420.db2.gz KWITXVZDLZYNHH-BFYDXBDKSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)C[C@@H](C)N1 ZINC001576772170 1066686425 /nfs/dbraw/zinc/68/64/25/1066686425.db2.gz KWITXVZDLZYNHH-BFYDXBDKSA-N 1 3 322.497 2.175 20 0 DEADHO CC[C@@H](C)N[C@H](CNC(=O)C1=CCC[NH2+]CC1)c1ccco1 ZINC001577002140 1066743108 /nfs/dbraw/zinc/74/31/08/1066743108.db2.gz CQQMUOHCEFCHCT-UKRRQHHQSA-N 1 3 305.422 2.135 20 0 DEADHO CC[C@@H](C)N[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1ccco1 ZINC001577004211 1066744445 /nfs/dbraw/zinc/74/44/45/1066744445.db2.gz SBPSTMLUQKTFCK-LXTVHRRPSA-N 1 3 307.438 2.343 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)CCC[NH2+]CC2CC3(CCC3)C2)C1 ZINC001498613539 1066802945 /nfs/dbraw/zinc/80/29/45/1066802945.db2.gz SNHVRDXJUIWJNZ-MRXNPFEDSA-N 1 3 321.509 2.347 20 0 DEADHO CC[NH+](CC)CC[C@H](C)NC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC001650354155 1079554825 /nfs/dbraw/zinc/55/48/25/1079554825.db2.gz COGQIKFKPBIBAE-GJZGRUSLSA-N 1 3 312.502 2.279 20 0 DEADHO CCCn1cc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c(C)n1 ZINC001577622336 1066888115 /nfs/dbraw/zinc/88/81/15/1066888115.db2.gz LPVFLRZAIVVVGB-ZWKOTPCHSA-N 1 3 320.481 2.320 20 0 DEADHO CC[NH+](CC)CC[C@H](NC(=O)OC1CNC1)c1ccccc1 ZINC001577687488 1066904510 /nfs/dbraw/zinc/90/45/10/1066904510.db2.gz IISBCYSOYCENHA-INIZCTEOSA-N 1 3 305.422 2.158 20 0 DEADHO CN(C(=O)c1ccccc1C[NH3+])[C@H]1CCN(Cc2ccccc2)C1 ZINC001578391732 1067078879 /nfs/dbraw/zinc/07/88/79/1067078879.db2.gz LDUWVHCUFPYLPH-SFHVURJKSA-N 1 3 323.440 2.492 20 0 DEADHO CN(CC1CC[NH2+]CC1)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC001578458700 1067109025 /nfs/dbraw/zinc/10/90/25/1067109025.db2.gz TVOKUMHNIDSLTQ-INIZCTEOSA-N 1 3 321.852 2.377 20 0 DEADHO CN(CCCN(C)C(=O)C1([NH2+]C2CC2)CCC1)Cc1ccco1 ZINC001578466192 1067111530 /nfs/dbraw/zinc/11/15/30/1067111530.db2.gz GNLCHBFTQIHCKY-UHFFFAOYSA-N 1 3 319.449 2.235 20 0 DEADHO C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC001578753441 1067161921 /nfs/dbraw/zinc/16/19/21/1067161921.db2.gz RJHAKIWFIJAEHJ-XIRDDKMYSA-N 1 3 305.466 2.428 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]C[C@H](C)CC(C)C)CC1 ZINC001499430737 1067217479 /nfs/dbraw/zinc/21/74/79/1067217479.db2.gz PAXKOZHOKGVTST-CYBMUJFWSA-N 1 3 306.454 2.181 20 0 DEADHO COCCOCc1ccc(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC001579074016 1067230341 /nfs/dbraw/zinc/23/03/41/1067230341.db2.gz QZOFWXNHBQIATH-CRAIPNDOSA-N 1 3 306.450 2.409 20 0 DEADHO C[C@@H](NC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC001579410076 1067332760 /nfs/dbraw/zinc/33/27/60/1067332760.db2.gz BGFKSFAYXIGXNL-KBAYOESNSA-N 1 3 315.461 2.185 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H]1CC(=O)N(CCN1CCCC1)c1ccccc1 ZINC001579447539 1067340945 /nfs/dbraw/zinc/34/09/45/1067340945.db2.gz FRHPPQXZNBVFOF-IAGOWNOFSA-N 1 3 315.461 2.361 20 0 DEADHO CC(C)=CCN(C)CCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001480914199 1078511626 /nfs/dbraw/zinc/51/16/26/1078511626.db2.gz VBNGXCWVTACUPI-UHFFFAOYSA-N 1 3 317.477 2.419 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccccc1C[NH3+] ZINC001579475739 1067349970 /nfs/dbraw/zinc/34/99/70/1067349970.db2.gz PFMCKEOVFFVJKH-OAHLLOKOSA-N 1 3 311.429 2.396 20 0 DEADHO Cc1ccc([C@H](NCC[C@@H]2CC[NH2+]C2)[C@H](C)S(C)(=O)=O)cc1 ZINC001579671794 1067402560 /nfs/dbraw/zinc/40/25/60/1067402560.db2.gz OOVBKMAKJKMQRF-YQQAZPJKSA-N 1 3 324.490 2.058 20 0 DEADHO N[C@H](C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)C1CCC1 ZINC001580109069 1067496833 /nfs/dbraw/zinc/49/68/33/1067496833.db2.gz JWQQXECDWHXPCE-KRWDZBQOSA-N 1 3 307.482 2.228 20 0 DEADHO C[C@@H]([NH2+]CCCN(C)C(=O)[C@H]1CCCN1C)c1ccccc1F ZINC001483456254 1078545293 /nfs/dbraw/zinc/54/52/93/1078545293.db2.gz QZMOSUBMNWHVBL-RHSMWYFYSA-N 1 3 321.440 2.419 20 0 DEADHO CC(C)[C@H](C(=O)N(C)CCC[NH2+]CC1CC(C)(C)C1)N(C)C ZINC001483490166 1078562854 /nfs/dbraw/zinc/56/28/54/1078562854.db2.gz CEUPXMJIAZOKSC-MRXNPFEDSA-N 1 3 311.514 2.447 20 0 DEADHO CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H]1C ZINC001571463400 1068314434 /nfs/dbraw/zinc/31/44/34/1068314434.db2.gz VCKYRURRYSRIEC-QNQFUXMYSA-N 1 3 304.438 2.278 20 0 DEADHO CC[C@@H](C)C[N@H+]1CC=C(CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001571699004 1068488696 /nfs/dbraw/zinc/48/86/96/1068488696.db2.gz ABRMWIWERJFJSG-CYBMUJFWSA-N 1 3 304.438 2.055 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CC=C(CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001571699004 1068488701 /nfs/dbraw/zinc/48/87/01/1068488701.db2.gz ABRMWIWERJFJSG-CYBMUJFWSA-N 1 3 304.438 2.055 20 0 DEADHO C[NH+](C)CCCCC(=O)NC[C@@H]1CCN(CCC(F)(F)F)C1 ZINC001267305717 1078752163 /nfs/dbraw/zinc/75/21/63/1078752163.db2.gz BYZDOQVQRACSBR-ZDUSSCGKSA-N 1 3 323.403 2.109 20 0 DEADHO CCCC[N@@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001272467066 1078900061 /nfs/dbraw/zinc/90/00/61/1078900061.db2.gz LWWIRYBNBXOQHC-IBGZPJMESA-N 1 3 315.461 2.338 20 0 DEADHO CCCC[N@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001272467066 1078900065 /nfs/dbraw/zinc/90/00/65/1078900065.db2.gz LWWIRYBNBXOQHC-IBGZPJMESA-N 1 3 315.461 2.338 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001548577098 1072693281 /nfs/dbraw/zinc/69/32/81/1072693281.db2.gz BCKPNOSDVXBXAJ-RHSMWYFYSA-N 1 3 301.434 2.340 20 0 DEADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]CCC1CCCC1 ZINC001369250644 1148881826 /nfs/dbraw/zinc/88/18/26/1148881826.db2.gz JUYZFGNQSVGUEA-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO c1cc([C@@H]2OCCC[C@@H]2CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)n[nH]1 ZINC001548942977 1072954064 /nfs/dbraw/zinc/95/40/64/1072954064.db2.gz DZJNZLVERBININ-JYYAWHABSA-N 1 3 304.438 2.094 20 0 DEADHO c1cc([C@@H]2OCCC[C@@H]2CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)n[nH]1 ZINC001548942977 1072954073 /nfs/dbraw/zinc/95/40/73/1072954073.db2.gz DZJNZLVERBININ-JYYAWHABSA-N 1 3 304.438 2.094 20 0 DEADHO CC[C@H](N[C@@H]1C[C@H](N2CCOCC2)C12CCC2)[C@H]1CCCC[NH2+]1 ZINC001549338203 1073131119 /nfs/dbraw/zinc/13/11/19/1073131119.db2.gz UACWECBAGDBRKI-MLHJIOFPSA-N 1 3 321.509 2.140 20 0 DEADHO CC[C@H]([NH2+][C@@H]1C[C@H](N2CCOCC2)C12CCC2)[C@H]1CCCCN1 ZINC001549338203 1073131122 /nfs/dbraw/zinc/13/11/22/1073131122.db2.gz UACWECBAGDBRKI-MLHJIOFPSA-N 1 3 321.509 2.140 20 0 DEADHO N[C@@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)C1CCCCC1 ZINC001645892816 1079040731 /nfs/dbraw/zinc/04/07/31/1079040731.db2.gz KERYKEFYYJDLEG-QGZVFWFLSA-N 1 3 307.482 2.371 20 0 DEADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(F)cc1 ZINC001369254162 1148883014 /nfs/dbraw/zinc/88/30/14/1148883014.db2.gz YMBABQNSZDMGEQ-CQSZACIVSA-N 1 3 321.440 2.247 20 0 DEADHO CCC1([NH+]2CCC2)CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC001550237544 1073529340 /nfs/dbraw/zinc/52/93/40/1073529340.db2.gz UFFHZSSNXMGTOG-KRWDZBQOSA-N 1 3 315.461 2.033 20 0 DEADHO CC(C)=CC[NH2+]CCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001649439880 1079120009 /nfs/dbraw/zinc/12/00/09/1079120009.db2.gz IREGFTHQKWKZOE-KRWDZBQOSA-N 1 3 313.461 2.213 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](N[C@H]1CCc3cccnc31)C2 ZINC001550355485 1073613008 /nfs/dbraw/zinc/61/30/08/1073613008.db2.gz XUDKTKGMRVTTIQ-QAGGRKNESA-N 1 3 315.461 2.138 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](N[C@H]1CCc3cccnc31)C2 ZINC001550355485 1073613013 /nfs/dbraw/zinc/61/30/13/1073613013.db2.gz XUDKTKGMRVTTIQ-QAGGRKNESA-N 1 3 315.461 2.138 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3cc(C)ns3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550424057 1073649068 /nfs/dbraw/zinc/64/90/68/1073649068.db2.gz XNUXFXKYGHKEFZ-TWMKSMIVSA-N 1 3 323.506 2.411 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3cc(C)ns3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550424057 1073649072 /nfs/dbraw/zinc/64/90/72/1073649072.db2.gz XNUXFXKYGHKEFZ-TWMKSMIVSA-N 1 3 323.506 2.411 20 0 DEADHO Cc1ncc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@@H]2O)s1 ZINC001550422959 1073649162 /nfs/dbraw/zinc/64/91/62/1073649162.db2.gz FSHQYZYVFXGORI-QXSJWSMHSA-N 1 3 309.479 2.021 20 0 DEADHO Cc1ncc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@@H]2O)s1 ZINC001550422959 1073649166 /nfs/dbraw/zinc/64/91/66/1073649166.db2.gz FSHQYZYVFXGORI-QXSJWSMHSA-N 1 3 309.479 2.021 20 0 DEADHO CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(c2cc(N)ncc2Cl)C1 ZINC001550624428 1073752335 /nfs/dbraw/zinc/75/23/35/1073752335.db2.gz RTQMTQKPONZUBG-VXGBXAGGSA-N 1 3 310.829 2.007 20 0 DEADHO Cc1cc(F)ncc1CN[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC001550663250 1073782689 /nfs/dbraw/zinc/78/26/89/1073782689.db2.gz FQIXPNSQAPJCKW-LMSBXDPUSA-N 1 3 321.440 2.098 20 0 DEADHO Cc1cc(F)ncc1CN[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC001550663250 1073782695 /nfs/dbraw/zinc/78/26/95/1073782695.db2.gz FQIXPNSQAPJCKW-LMSBXDPUSA-N 1 3 321.440 2.098 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC001550800726 1073881461 /nfs/dbraw/zinc/88/14/61/1073881461.db2.gz BNQUMNVVJAMDDD-WBVHZDCISA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC001550800726 1073881472 /nfs/dbraw/zinc/88/14/72/1073881472.db2.gz BNQUMNVVJAMDDD-WBVHZDCISA-N 1 3 307.482 2.050 20 0 DEADHO C[NH+](C)CCCC(=O)NC[C@H]1CCN(Cc2cccc(F)c2)C1 ZINC001481107670 1079192819 /nfs/dbraw/zinc/19/28/19/1079192819.db2.gz GMKFGJGPLCXRTI-MRXNPFEDSA-N 1 3 321.440 2.106 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[N@H+](CCCC3CCC3)C2)C1 ZINC001481110980 1079195895 /nfs/dbraw/zinc/19/58/95/1079195895.db2.gz DXVKNRIHLKIRGZ-FUHWJXTLSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001481110980 1079195901 /nfs/dbraw/zinc/19/59/01/1079195901.db2.gz DXVKNRIHLKIRGZ-FUHWJXTLSA-N 1 3 321.509 2.347 20 0 DEADHO [NH3+][C@@H]1CN(C(=O)C[C@H]2NCc3ccccc32)C[C@@H]1c1ccccc1 ZINC001552430464 1074574863 /nfs/dbraw/zinc/57/48/63/1074574863.db2.gz PWYGFTSFGHSPMA-GUDVDZBRSA-N 1 3 321.424 2.174 20 0 DEADHO [NH3+][C@@H]1CN(C(=O)C[C@@H]2NCc3ccccc32)C[C@@H]1c1ccccc1 ZINC001552430469 1074575511 /nfs/dbraw/zinc/57/55/11/1074575511.db2.gz PWYGFTSFGHSPMA-QRVBRYPASA-N 1 3 321.424 2.174 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CCCC[NH2+]C1 ZINC001552434122 1074576460 /nfs/dbraw/zinc/57/64/60/1074576460.db2.gz BBFJZAWMKNIFBA-CQSZACIVSA-N 1 3 305.422 2.085 20 0 DEADHO CC[C@@H](C)C[C@H](N)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC001646737651 1074587632 /nfs/dbraw/zinc/58/76/32/1074587632.db2.gz RPZCQKZFBXDLSE-PBHICJAKSA-N 1 3 321.465 2.007 20 0 DEADHO CCn1cc([C@H]2OCC[C@H]2C[NH+]2CCC(N(C)C)CC2)cn1 ZINC001552515151 1074591462 /nfs/dbraw/zinc/59/14/62/1074591462.db2.gz JMBVDPCGUVBUSJ-YOEHRIQHSA-N 1 3 306.454 2.007 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCCc2cc(CC[NH3+])ccc21 ZINC001646824586 1074636348 /nfs/dbraw/zinc/63/63/48/1074636348.db2.gz BDBNGCFMNFFPTE-GASCZTMLSA-N 1 3 315.461 2.340 20 0 DEADHO CC1(C)[C@@H]2NCCC[C@H]2[C@@H]1[NH2+]C1CCN(CC(F)F)CC1 ZINC001553023650 1074739625 /nfs/dbraw/zinc/73/96/25/1074739625.db2.gz KOPXZJGFPKFFJT-YUELXQCFSA-N 1 3 301.425 2.082 20 0 DEADHO CC[NH+](CC)CCOCCNCc1cn(C)nc1C(C)(C)C ZINC001560433917 1075139899 /nfs/dbraw/zinc/13/98/99/1075139899.db2.gz DGRSSMYAOIKVRW-UHFFFAOYSA-N 1 3 310.486 2.166 20 0 DEADHO CC[N@H+](CCCNC(=O)N[C@H]1CCN(C)[C@H]1C)C1CCCCC1 ZINC001565028852 1075176387 /nfs/dbraw/zinc/17/63/87/1075176387.db2.gz VWNMMODLCVECJR-RDJZCZTQSA-N 1 3 324.513 2.423 20 0 DEADHO CC[N@@H+](CCCNC(=O)N[C@H]1CCN(C)[C@H]1C)C1CCCCC1 ZINC001565028852 1075176389 /nfs/dbraw/zinc/17/63/89/1075176389.db2.gz VWNMMODLCVECJR-RDJZCZTQSA-N 1 3 324.513 2.423 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCC1CC1)N(C)C ZINC001565972932 1075211936 /nfs/dbraw/zinc/21/19/36/1075211936.db2.gz OLVBPZWWUJJIJM-PVAVHDDUSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1cc(CN(C)CCCNC(=O)C[C@@H]2CC[N@H+](C)C2)cs1 ZINC001566508981 1075265457 /nfs/dbraw/zinc/26/54/57/1075265457.db2.gz XOGNNDZGWGIRQZ-HNNXBMFYSA-N 1 3 323.506 2.336 20 0 DEADHO Cc1cc(CN(C)CCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)cs1 ZINC001566508981 1075265459 /nfs/dbraw/zinc/26/54/59/1075265459.db2.gz XOGNNDZGWGIRQZ-HNNXBMFYSA-N 1 3 323.506 2.336 20 0 DEADHO CC/C=C\CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC001566610521 1075296457 /nfs/dbraw/zinc/29/64/57/1075296457.db2.gz FYOAKWZHLWOMIA-KEGWNNHHSA-N 1 3 307.482 2.360 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]C/C=C/Cl)C1 ZINC001567154481 1075447327 /nfs/dbraw/zinc/44/73/27/1075447327.db2.gz FLHBALZGAKVJEE-YKHJJTLOSA-N 1 3 313.873 2.051 20 0 DEADHO Cc1ccc(C)c(OC[C@@H](O)CNC[C@H]2CCC[N@@H+](C)C2)c1C ZINC001650159510 1079427184 /nfs/dbraw/zinc/42/71/84/1079427184.db2.gz UELFOGQIZCEXBO-MSOLQXFVSA-N 1 3 320.477 2.283 20 0 DEADHO Cc1ccc(C)c(OC[C@@H](O)CNC[C@H]2CCC[N@H+](C)C2)c1C ZINC001650159510 1079427188 /nfs/dbraw/zinc/42/71/88/1079427188.db2.gz UELFOGQIZCEXBO-MSOLQXFVSA-N 1 3 320.477 2.283 20 0 DEADHO O=C(N[C@H]1CC[NH2+]C[C@@H]1F)c1cccc(CN2CCCCC2)c1 ZINC001580615599 1075961689 /nfs/dbraw/zinc/96/16/89/1075961689.db2.gz ICEUEDUVNYAIMN-IRXDYDNUSA-N 1 3 319.424 2.102 20 0 DEADHO C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(-c2nnn[n-]2)c1 ZINC001589980190 1076542244 /nfs/dbraw/zinc/54/22/44/1076542244.db2.gz ZFTQYPNYDYLFMP-KPGMEVQCSA-N 1 3 312.421 2.048 20 0 DEADHO C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(-c2nn[n-]n2)c1 ZINC001589980190 1076542246 /nfs/dbraw/zinc/54/22/46/1076542246.db2.gz ZFTQYPNYDYLFMP-KPGMEVQCSA-N 1 3 312.421 2.048 20 0 DEADHO CC[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590467238 1076633953 /nfs/dbraw/zinc/63/39/53/1076633953.db2.gz OOZNQEKEJZZERO-INIZCTEOSA-N 1 3 312.421 2.217 20 0 DEADHO CC[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590467238 1076633956 /nfs/dbraw/zinc/63/39/56/1076633956.db2.gz OOZNQEKEJZZERO-INIZCTEOSA-N 1 3 312.421 2.217 20 0 DEADHO C[C@H](CNC(=O)c1cc2c(s1)CNCC2)C[NH+]1CCCCC1 ZINC001650336419 1079538636 /nfs/dbraw/zinc/53/86/36/1079538636.db2.gz JMYNMBYOIWXOOA-CYBMUJFWSA-N 1 3 321.490 2.246 20 0 DEADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC[C@@H]1C[NH3+] ZINC001650399873 1079590605 /nfs/dbraw/zinc/59/06/05/1079590605.db2.gz BCEQMLAFXLUXJV-KBAYOESNSA-N 1 3 315.461 2.094 20 0 DEADHO CC(C)CC[C@H]([NH3+])C(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC001650442577 1079627678 /nfs/dbraw/zinc/62/76/78/1079627678.db2.gz MPNNMFHZNKOOIR-JKSUJKDBSA-N 1 3 309.429 2.308 20 0 DEADHO CC[C@@H](F)C[N@@H+]1CCC[C@@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001484716584 1079741288 /nfs/dbraw/zinc/74/12/88/1079741288.db2.gz NAVUZYDNNUVLQA-HUUCEWRRSA-N 1 3 313.461 2.190 20 0 DEADHO CC[C@@H](F)C[N@H+]1CCC[C@@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001484716584 1079741299 /nfs/dbraw/zinc/74/12/99/1079741299.db2.gz NAVUZYDNNUVLQA-HUUCEWRRSA-N 1 3 313.461 2.190 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2CCC[N@H+](CCC3CC3)CC2)CCC1 ZINC001484717202 1079741901 /nfs/dbraw/zinc/74/19/01/1079741901.db2.gz VGSABLJTLNOXKN-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2CCC[N@@H+](CCC3CC3)CC2)CCC1 ZINC001484717202 1079741904 /nfs/dbraw/zinc/74/19/04/1079741904.db2.gz VGSABLJTLNOXKN-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1CCCN(CCC(F)(F)F)CC1 ZINC001484723389 1079748075 /nfs/dbraw/zinc/74/80/75/1079748075.db2.gz GPOFMOJLLFAADY-ZDUSSCGKSA-N 1 3 323.403 2.251 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCCN(CCC(F)(F)F)CC1 ZINC001484723389 1079748080 /nfs/dbraw/zinc/74/80/80/1079748080.db2.gz GPOFMOJLLFAADY-ZDUSSCGKSA-N 1 3 323.403 2.251 20 0 DEADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCCC1CCCC1 ZINC001484898874 1079849660 /nfs/dbraw/zinc/84/96/60/1079849660.db2.gz IRRYPVLAVYEOFI-YOEHRIQHSA-N 1 3 318.465 2.359 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001485039751 1079933788 /nfs/dbraw/zinc/93/37/88/1079933788.db2.gz ZXTJPLXXCAHSAE-ILXRZTDVSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N2CCCC[C@H]2CNCCF)CC1 ZINC001485040417 1079934832 /nfs/dbraw/zinc/93/48/32/1079934832.db2.gz ANIABQGNJRFZCV-INIZCTEOSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H](C[NH2+]CCC1CCCCC1)N(C)C(=O)[C@H]1CCCN1C ZINC001268057405 1079986956 /nfs/dbraw/zinc/98/69/56/1079986956.db2.gz YJPRYFBHCYCGSO-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](NCc1ccccc1F)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001485185517 1080045343 /nfs/dbraw/zinc/04/53/43/1080045343.db2.gz GCEYWJRPTYHPBO-ZIAGYGMSSA-N 1 3 321.440 2.150 20 0 DEADHO CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]2C1 ZINC001656817586 1080127336 /nfs/dbraw/zinc/12/73/36/1080127336.db2.gz GMMXSIWVGYIKFA-CNPAMDGFSA-N 1 3 321.509 2.463 20 0 DEADHO CC/C=C\CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]2C1 ZINC001656817586 1080127340 /nfs/dbraw/zinc/12/73/40/1080127340.db2.gz GMMXSIWVGYIKFA-CNPAMDGFSA-N 1 3 321.509 2.463 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001485653204 1080344126 /nfs/dbraw/zinc/34/41/26/1080344126.db2.gz JGPXIVAMSNQHTJ-ULQDDVLXSA-N 1 3 321.509 2.488 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001485653204 1080344134 /nfs/dbraw/zinc/34/41/34/1080344134.db2.gz JGPXIVAMSNQHTJ-ULQDDVLXSA-N 1 3 321.509 2.488 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001485658373 1080350476 /nfs/dbraw/zinc/35/04/76/1080350476.db2.gz UWHIXLFRWIKLJJ-YESZJQIVSA-N 1 3 309.498 2.343 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001485658373 1080350483 /nfs/dbraw/zinc/35/04/83/1080350483.db2.gz UWHIXLFRWIKLJJ-YESZJQIVSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)=CC[N@@H+](C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001485759295 1080412348 /nfs/dbraw/zinc/41/23/48/1080412348.db2.gz PBPBUFYQGNZSLR-KRWDZBQOSA-N 1 3 309.498 2.462 20 0 DEADHO CC(C)=CC[N@H+](C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001485759295 1080412351 /nfs/dbraw/zinc/41/23/51/1080412351.db2.gz PBPBUFYQGNZSLR-KRWDZBQOSA-N 1 3 309.498 2.462 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccccc1C)N(C)C ZINC001268416069 1080448976 /nfs/dbraw/zinc/44/89/76/1080448976.db2.gz SBSICJPMDUVETH-WBVHZDCISA-N 1 3 305.466 2.320 20 0 DEADHO CN(C)C1(C(=O)N(C)[C@@H](C[NH2+]CC2CCC2)C2CC2)CCC1 ZINC001485814923 1080491424 /nfs/dbraw/zinc/49/14/24/1080491424.db2.gz WAJJYLPMPYQCSZ-INIZCTEOSA-N 1 3 307.482 2.097 20 0 DEADHO CCN(CCNC/C=C\Cl)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001268461734 1080532009 /nfs/dbraw/zinc/53/20/09/1080532009.db2.gz JKJOVXRJPUBHJF-DDJMYBDESA-N 1 3 315.889 2.297 20 0 DEADHO CCN(CCNC/C=C\Cl)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001268461734 1080532016 /nfs/dbraw/zinc/53/20/16/1080532016.db2.gz JKJOVXRJPUBHJF-DDJMYBDESA-N 1 3 315.889 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001661972164 1080552001 /nfs/dbraw/zinc/55/20/01/1080552001.db2.gz QESBXJDPWNSELZ-ZDUSSCGKSA-N 1 3 323.403 2.250 20 0 DEADHO CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107040655 1080554213 /nfs/dbraw/zinc/55/42/13/1080554213.db2.gz LCKORQZCJRQWTH-NXVGNOFTSA-N 1 3 309.498 2.367 20 0 DEADHO CCC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001662048823 1080565741 /nfs/dbraw/zinc/56/57/41/1080565741.db2.gz SMPYMNIBDKLYEV-KRTOSJAQSA-N 1 3 319.493 2.264 20 0 DEADHO CCC/C=C\CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001662048823 1080565748 /nfs/dbraw/zinc/56/57/48/1080565748.db2.gz SMPYMNIBDKLYEV-KRTOSJAQSA-N 1 3 319.493 2.264 20 0 DEADHO O=C(CCC[NH+]1CCCCC1)NC1(CNCCF)CCCC1 ZINC001481913426 1080601206 /nfs/dbraw/zinc/60/12/06/1080601206.db2.gz ZVEMMUJFABTRNG-UHFFFAOYSA-N 1 3 313.461 2.241 20 0 DEADHO CC(C)[C@@H](C(=O)NC/C=C/C[NH2+]CC1CC(C)(C)C1)N(C)C ZINC001268551357 1080746827 /nfs/dbraw/zinc/74/68/27/1080746827.db2.gz FTYFYOODGMMUQN-WAVCKPEOSA-N 1 3 309.498 2.271 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CCCCCF)C1 ZINC001482062875 1080769535 /nfs/dbraw/zinc/76/95/35/1080769535.db2.gz FVZAMNCMKHUQRB-HZPDHXFCSA-N 1 3 313.461 2.049 20 0 DEADHO CN(C)C1(C(=O)N(C)CC[NH2+]Cc2cccc(Cl)c2)CCC1 ZINC001663981457 1080845623 /nfs/dbraw/zinc/84/56/23/1080845623.db2.gz HGFUEAFGLWTLTO-UHFFFAOYSA-N 1 3 323.868 2.372 20 0 DEADHO CCc1cccc(CN(C)CCN(C)C(=O)CC[NH+](C)C)c1 ZINC001422199499 1080852710 /nfs/dbraw/zinc/85/27/10/1080852710.db2.gz OBNDEQSCLDLKNZ-UHFFFAOYSA-N 1 3 305.466 2.091 20 0 DEADHO CN(CC(=O)N(C)CC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)CC(C)(C)C ZINC001664186132 1080873548 /nfs/dbraw/zinc/87/35/48/1080873548.db2.gz KXWQUJHWPLEDKF-IXDOHACOSA-N 1 3 323.525 2.449 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+][C@H]1CCc2ccccc21 ZINC001482173166 1080878732 /nfs/dbraw/zinc/87/87/32/1080878732.db2.gz GYSQROANXLGNML-QAPCUYQASA-N 1 3 317.477 2.356 20 0 DEADHO CC(C)[C@H](C(=O)NC/C=C/C[NH2+]Cc1ccccc1)N(C)C ZINC001268616382 1080892133 /nfs/dbraw/zinc/89/21/33/1080892133.db2.gz MIASCZCUHPFBAO-KBOKABMXSA-N 1 3 303.450 2.035 20 0 DEADHO CCCC[NH2+][C@H]1CN(C(=O)[C@H]2CCCN2CCC)CC1(C)C ZINC001284291515 1080996044 /nfs/dbraw/zinc/99/60/44/1080996044.db2.gz GZRXFDHBBXSKRX-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CC/C=C\CC[NH+]1CC(CNC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001268910728 1081040863 /nfs/dbraw/zinc/04/08/63/1081040863.db2.gz CUKQAAMSUYROIW-ILNYKDOHSA-N 1 3 307.482 2.264 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@H](CC[NH2+]CC3CC3)C2)CCC1 ZINC001269741812 1081352456 /nfs/dbraw/zinc/35/24/56/1081352456.db2.gz PNVZLVWBCMRLHN-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H](F)CC[NH2+]C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001669293101 1081444425 /nfs/dbraw/zinc/44/44/25/1081444425.db2.gz JFFLDJQUJJHJNG-ZIAGYGMSSA-N 1 3 301.450 2.093 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCc1cccs1)N(C)C ZINC001270077383 1081444318 /nfs/dbraw/zinc/44/43/18/1081444318.db2.gz SAVUCYRUYTWRNE-GDBMZVCRSA-N 1 3 323.506 2.211 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCc1ccccc1)N(C)C ZINC001270166269 1081464270 /nfs/dbraw/zinc/46/42/70/1081464270.db2.gz UTDQDRDOOUITOZ-ZWKOTPCHSA-N 1 3 317.477 2.150 20 0 DEADHO CCC[N@H+](C)[C@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001422562035 1081570933 /nfs/dbraw/zinc/57/09/33/1081570933.db2.gz NDIMJIBCKBCROP-CJNGLKHVSA-N 1 3 301.450 2.045 20 0 DEADHO CCC[N@@H+](C)[C@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001422562035 1081570938 /nfs/dbraw/zinc/57/09/38/1081570938.db2.gz NDIMJIBCKBCROP-CJNGLKHVSA-N 1 3 301.450 2.045 20 0 DEADHO C[C@@H](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCCF ZINC001674233344 1081853721 /nfs/dbraw/zinc/85/37/21/1081853721.db2.gz BHIXCPNVBVGJQG-BBRMVZONSA-N 1 3 319.440 2.043 20 0 DEADHO CC/C=C\CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001674441364 1081871503 /nfs/dbraw/zinc/87/15/03/1081871503.db2.gz YINKZQZHBMVULC-JOGGYFKDSA-N 1 3 307.482 2.360 20 0 DEADHO CC/C=C\CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001674441364 1081871507 /nfs/dbraw/zinc/87/15/07/1081871507.db2.gz YINKZQZHBMVULC-JOGGYFKDSA-N 1 3 307.482 2.360 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC001648969311 1081972909 /nfs/dbraw/zinc/97/29/09/1081972909.db2.gz NSCHIWYBBYVYEE-PLLDYVMSSA-N 1 3 313.445 2.079 20 0 DEADHO CCC[NH2+][C@@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001482552203 1082204455 /nfs/dbraw/zinc/20/44/55/1082204455.db2.gz BRTJTQWAUHJNQY-YOEHRIQHSA-N 1 3 315.477 2.339 20 0 DEADHO CC(C)[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]CC=C(Cl)Cl ZINC001482572101 1082254056 /nfs/dbraw/zinc/25/40/56/1082254056.db2.gz MIXGWOXYRRDMFE-GFCCVEGCSA-N 1 3 324.296 2.376 20 0 DEADHO CC(C)[C@H](CNC(=O)CN(C)C(C)C)[NH2+]CC=C(Cl)Cl ZINC001482572106 1082254099 /nfs/dbraw/zinc/25/40/99/1082254099.db2.gz MIXGWOXYRRDMFE-LBPRGKRZSA-N 1 3 324.296 2.376 20 0 DEADHO CC/C=C\CC[NH2+]C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001671308526 1082258977 /nfs/dbraw/zinc/25/89/77/1082258977.db2.gz HLBFQXVMZYOXNW-VGOKWCNXSA-N 1 3 307.482 2.408 20 0 DEADHO CN(CCNCc1ccsc1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001266730842 1082308466 /nfs/dbraw/zinc/30/84/66/1082308466.db2.gz IBYAHLRJTNHBEP-HNNXBMFYSA-N 1 3 309.479 2.171 20 0 DEADHO CN(CCNCc1ccsc1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001266730842 1082308456 /nfs/dbraw/zinc/30/84/56/1082308456.db2.gz IBYAHLRJTNHBEP-HNNXBMFYSA-N 1 3 309.479 2.171 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCF)C1 ZINC001266810856 1082361728 /nfs/dbraw/zinc/36/17/28/1082361728.db2.gz DWHQVNZXZBSOND-CVEARBPZSA-N 1 3 313.461 2.047 20 0 DEADHO CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@H]1C ZINC001266906188 1082445737 /nfs/dbraw/zinc/44/57/37/1082445737.db2.gz OHSLMRJWJITLOE-RXYDEIHYSA-N 1 3 321.509 2.486 20 0 DEADHO CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@H]1C ZINC001266906188 1082445739 /nfs/dbraw/zinc/44/57/39/1082445739.db2.gz OHSLMRJWJITLOE-RXYDEIHYSA-N 1 3 321.509 2.486 20 0 DEADHO C[C@@H](CC[NH2+]CC1=CCCCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001482870448 1082538350 /nfs/dbraw/zinc/53/83/50/1082538350.db2.gz DIXWISBLKKSZGQ-HOTGVXAUSA-N 1 3 307.482 2.313 20 0 DEADHO CCN(CCNC/C=C/Cl)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001482955863 1082576826 /nfs/dbraw/zinc/57/68/26/1082576826.db2.gz WPJKKNYDVBGYEO-HVHJFMEUSA-N 1 3 315.889 2.442 20 0 DEADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc2c(s1)CNCC2 ZINC001648992293 1082644583 /nfs/dbraw/zinc/64/45/83/1082644583.db2.gz XSMFSASUWIDNSO-GFCCVEGCSA-N 1 3 321.490 2.196 20 0 DEADHO Cc1ccccc1C[N@@H+](C)[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001409587257 1082970229 /nfs/dbraw/zinc/97/02/29/1082970229.db2.gz MPESGWOLUIFXJY-INIZCTEOSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1ccccc1C[N@H+](C)[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001409587257 1082970232 /nfs/dbraw/zinc/97/02/32/1082970232.db2.gz MPESGWOLUIFXJY-INIZCTEOSA-N 1 3 317.477 2.416 20 0 DEADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)Cc1cccc(Cl)c1 ZINC001409681061 1083018469 /nfs/dbraw/zinc/01/84/69/1083018469.db2.gz LXGBGGWWCMZFHS-ZFWWWQNUSA-N 1 3 323.868 2.228 20 0 DEADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)Cc1cccc(Cl)c1 ZINC001409681061 1083018474 /nfs/dbraw/zinc/01/84/74/1083018474.db2.gz LXGBGGWWCMZFHS-ZFWWWQNUSA-N 1 3 323.868 2.228 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)c1cccc(C)c1)N(C)C ZINC001483239976 1083051706 /nfs/dbraw/zinc/05/17/06/1083051706.db2.gz KAWLRQJWILLJFB-ZMSDIMECSA-N 1 3 305.466 2.491 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC1)CC2 ZINC001107621612 1083531576 /nfs/dbraw/zinc/53/15/76/1083531576.db2.gz RYYSDVWICSMHRS-SJLPKXTDSA-N 1 3 316.449 2.031 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC1)CC2 ZINC001107621612 1083531587 /nfs/dbraw/zinc/53/15/87/1083531587.db2.gz RYYSDVWICSMHRS-SJLPKXTDSA-N 1 3 316.449 2.031 20 0 DEADHO CN1CC[C@]2(C1)CCC[N@H+](Cc1ccc(-n3ccnn3)cc1)C2 ZINC001276796495 1083614862 /nfs/dbraw/zinc/61/48/62/1083614862.db2.gz KPHSVYDUNFFJGG-SFHVURJKSA-N 1 3 311.433 2.185 20 0 DEADHO CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(-n3ccnn3)cc1)C2 ZINC001276796495 1083614869 /nfs/dbraw/zinc/61/48/69/1083614869.db2.gz KPHSVYDUNFFJGG-SFHVURJKSA-N 1 3 311.433 2.185 20 0 DEADHO Cc1c(CN2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)ccc(F)c1F ZINC001276845917 1083641461 /nfs/dbraw/zinc/64/14/61/1083641461.db2.gz NQDXYYPNOZGIKH-DOTOQJQBSA-N 1 3 323.431 2.341 20 0 DEADHO CCC[NH2+]CCC[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001277299505 1083901539 /nfs/dbraw/zinc/90/15/39/1083901539.db2.gz USIMEHLCTYEOPJ-RHSMWYFYSA-N 1 3 315.477 2.483 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]CCF ZINC001277313277 1083906947 /nfs/dbraw/zinc/90/69/47/1083906947.db2.gz FRVPYSXZFPEGAD-HUUCEWRRSA-N 1 3 301.450 2.093 20 0 DEADHO CC[NH+](CC)CCN(C)C(=O)C12CC(NCc3ccco3)(C1)C2 ZINC001277399238 1083948203 /nfs/dbraw/zinc/94/82/03/1083948203.db2.gz GQTUZBGDFYQNDD-UHFFFAOYSA-N 1 3 319.449 2.092 20 0 DEADHO CC(C)OCC[N@@H+]1CCC[C@@]2(CCN(CCn3ccnc3)C2)C1 ZINC001277656861 1084078521 /nfs/dbraw/zinc/07/85/21/1084078521.db2.gz CMODJDAARTUIMX-GOSISDBHSA-N 1 3 320.481 2.096 20 0 DEADHO CC(C)OCC[N@H+]1CCC[C@@]2(CCN(CCn3ccnc3)C2)C1 ZINC001277656861 1084078524 /nfs/dbraw/zinc/07/85/24/1084078524.db2.gz CMODJDAARTUIMX-GOSISDBHSA-N 1 3 320.481 2.096 20 0 DEADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CC1=CCCCC1 ZINC001277843202 1084170275 /nfs/dbraw/zinc/17/02/75/1084170275.db2.gz ANCKITUEVFVMAI-HNNXBMFYSA-N 1 3 307.482 2.408 20 0 DEADHO CCOCCN1CCC[C@]2(CCC[N@H+](CCn3ccnc3)C2)C1 ZINC001277857613 1084179780 /nfs/dbraw/zinc/17/97/80/1084179780.db2.gz IUDPBHZQTPFHCM-SFHVURJKSA-N 1 3 320.481 2.098 20 0 DEADHO CCOCCN1CCC[C@]2(CCC[N@@H+](CCn3ccnc3)C2)C1 ZINC001277857613 1084179785 /nfs/dbraw/zinc/17/97/85/1084179785.db2.gz IUDPBHZQTPFHCM-SFHVURJKSA-N 1 3 320.481 2.098 20 0 DEADHO CCOCC[N@@H+]1CCC[C@]2(CCCN(CCn3ccnc3)C2)C1 ZINC001277857613 1084179788 /nfs/dbraw/zinc/17/97/88/1084179788.db2.gz IUDPBHZQTPFHCM-SFHVURJKSA-N 1 3 320.481 2.098 20 0 DEADHO CCOCC[N@H+]1CCC[C@]2(CCCN(CCn3ccnc3)C2)C1 ZINC001277857613 1084179793 /nfs/dbraw/zinc/17/97/93/1084179793.db2.gz IUDPBHZQTPFHCM-SFHVURJKSA-N 1 3 320.481 2.098 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001491251297 1084182046 /nfs/dbraw/zinc/18/20/46/1084182046.db2.gz LLCZJGJWQYYQBO-HUUCEWRRSA-N 1 3 313.461 2.190 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC001491338090 1084241945 /nfs/dbraw/zinc/24/19/45/1084241945.db2.gz BKOSIRPSNPPGTO-SKAZJAPMSA-N 1 3 319.493 2.262 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC001491338090 1084241950 /nfs/dbraw/zinc/24/19/50/1084241950.db2.gz BKOSIRPSNPPGTO-SKAZJAPMSA-N 1 3 319.493 2.262 20 0 DEADHO c1cc(C[NH+]2CCC(N3CCC3)CC2)cc(N2CCOCC2)c1 ZINC001235089189 1084308703 /nfs/dbraw/zinc/30/87/03/1084308703.db2.gz NWLZURKPHKRIHN-UHFFFAOYSA-N 1 3 315.461 2.193 20 0 DEADHO C[C@H](Cc1ccc2c(c1)OCO2)CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235255745 1084361186 /nfs/dbraw/zinc/36/11/86/1084361186.db2.gz OEXQTIZDYBFXAA-KBMXLJTQSA-N 1 3 302.418 2.278 20 0 DEADHO CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C1CC1)N(C)C ZINC001235355722 1084402160 /nfs/dbraw/zinc/40/21/60/1084402160.db2.gz SUVSUOVWFIZXQE-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C1CC1)N(C)C ZINC001235355722 1084402165 /nfs/dbraw/zinc/40/21/65/1084402165.db2.gz SUVSUOVWFIZXQE-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CCC1=CCCCC1 ZINC001277946445 1084433388 /nfs/dbraw/zinc/43/33/88/1084433388.db2.gz WBBYTSYWLVLTNL-CQSZACIVSA-N 1 3 304.438 2.279 20 0 DEADHO CN(Cc1ccncc1)C1CC2(C1)CC[NH+](CCCO)CC2 ZINC001235542287 1084461416 /nfs/dbraw/zinc/46/14/16/1084461416.db2.gz PMSXFBSDZNRISQ-UHFFFAOYSA-N 1 3 303.450 2.140 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CCN1CC1(F)CC[NH2+]CC1 ZINC001235715901 1084511246 /nfs/dbraw/zinc/51/12/46/1084511246.db2.gz XKOPFICJXQPZAD-MRXNPFEDSA-N 1 3 305.441 2.284 20 0 DEADHO Brc1cccc([C@@H]2CN(C[C@@H]3CCC[NH2+]3)CCN2)c1 ZINC001235791696 1084531291 /nfs/dbraw/zinc/53/12/91/1084531291.db2.gz BYGRAVJPSCZUOZ-GJZGRUSLSA-N 1 3 324.266 2.147 20 0 DEADHO CC[N@H+](CCN1CCCCC1)C[C@@H]1[C@H](C)CNCC1(F)F ZINC001235960218 1084572557 /nfs/dbraw/zinc/57/25/57/1084572557.db2.gz HJBAJFNBEWZTJH-HUUCEWRRSA-N 1 3 303.441 2.285 20 0 DEADHO CC[N@@H+](CCN1CCCCC1)C[C@@H]1[C@H](C)CNCC1(F)F ZINC001235960218 1084572561 /nfs/dbraw/zinc/57/25/61/1084572561.db2.gz HJBAJFNBEWZTJH-HUUCEWRRSA-N 1 3 303.441 2.285 20 0 DEADHO CCN(CC[NH+]1CCCCC1)C[C@@H]1[C@H](C)CNCC1(F)F ZINC001235960218 1084572567 /nfs/dbraw/zinc/57/25/67/1084572567.db2.gz HJBAJFNBEWZTJH-HUUCEWRRSA-N 1 3 303.441 2.285 20 0 DEADHO C[C@@H]1[C@H]([NH2+]CCC2CC2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001486090048 1085053472 /nfs/dbraw/zinc/05/34/72/1085053472.db2.gz YKSMJRRMCIYCJI-GDBMZVCRSA-N 1 3 309.498 2.343 20 0 DEADHO CN(C)C1(C(=O)N2C[C@H]([NH2+]C/C=C/Cl)C(C)(C)C2)CCC1 ZINC001486234283 1085173361 /nfs/dbraw/zinc/17/33/61/1085173361.db2.gz INTFXPQSWPHDNU-PPGNKHEKSA-N 1 3 313.873 2.050 20 0 DEADHO C[C@H]1CCN(CC(=O)NC2CCC3(CC2)CC[NH+](C)CC3)C1 ZINC001413005065 1085173288 /nfs/dbraw/zinc/17/32/88/1085173288.db2.gz UKGUCTBDMWCRJD-HNNXBMFYSA-N 1 3 307.482 2.099 20 0 DEADHO CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961229136 1085646829 /nfs/dbraw/zinc/64/68/29/1085646829.db2.gz HOPQFFPKXJVKDK-DLBZAZTESA-N 1 3 321.509 2.299 20 0 DEADHO CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961229136 1085646834 /nfs/dbraw/zinc/64/68/34/1085646834.db2.gz HOPQFFPKXJVKDK-DLBZAZTESA-N 1 3 321.509 2.299 20 0 DEADHO Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)CN2CC[C@@H](C)C2)cs1 ZINC001273019813 1085981737 /nfs/dbraw/zinc/98/17/37/1085981737.db2.gz ZXUBHZLSKKAMOV-ZIAGYGMSSA-N 1 3 323.506 2.383 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C)nc1C)N(C)C ZINC001273019585 1085982469 /nfs/dbraw/zinc/98/24/69/1085982469.db2.gz YBHSDQTVTRSNJD-YOEHRIQHSA-N 1 3 320.481 2.023 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+]Cc1ccc(C)cc1C ZINC001128533458 1086187894 /nfs/dbraw/zinc/18/78/94/1086187894.db2.gz MVBSKDZEKRWYSE-QGZVFWFLSA-N 1 3 323.456 2.189 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1ccc(Cl)cc1 ZINC001168755658 1086509248 /nfs/dbraw/zinc/50/92/48/1086509248.db2.gz OXVMWVCWWZQPFY-UHFFFAOYSA-N 1 3 311.857 2.278 20 0 DEADHO CN(C)CCN(Cc1ccccc1)C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000710881078 1086690890 /nfs/dbraw/zinc/69/08/90/1086690890.db2.gz GRIWXQHUPGUOCF-QAQDUYKDSA-N 1 3 303.450 2.094 20 0 DEADHO CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1c1cccc(F)c1 ZINC001079189685 1087757027 /nfs/dbraw/zinc/75/70/27/1087757027.db2.gz WPOJEWAKABDCIL-GVDBMIGSSA-N 1 3 321.440 2.070 20 0 DEADHO CC[C@@H](C(=O)N1CCC2(CC1)CC[NH+](C(C)C)CC2)N(C)C ZINC000957605673 1088452939 /nfs/dbraw/zinc/45/29/39/1088452939.db2.gz HTHNPXWIWLWHEV-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CC(C)(C)C ZINC001114839410 1089027780 /nfs/dbraw/zinc/02/77/80/1089027780.db2.gz AAJRHMZDSVGGTP-AIANPOQGSA-N 1 3 309.498 2.057 20 0 DEADHO CC[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CC(C)(C)C ZINC001114839410 1089027797 /nfs/dbraw/zinc/02/77/97/1089027797.db2.gz AAJRHMZDSVGGTP-AIANPOQGSA-N 1 3 309.498 2.057 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1C ZINC001080756531 1089172148 /nfs/dbraw/zinc/17/21/48/1089172148.db2.gz YRKXMZDCKQZMFF-KBAYOESNSA-N 1 3 321.509 2.488 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1C ZINC001080756531 1089172158 /nfs/dbraw/zinc/17/21/58/1089172158.db2.gz YRKXMZDCKQZMFF-KBAYOESNSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccccc2)C1)N(C)C ZINC001082747264 1090053321 /nfs/dbraw/zinc/05/33/21/1090053321.db2.gz HYKOLBFGQKGWKP-NXHRZFHOSA-N 1 3 317.477 2.006 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccsc2)C1)N(C)C ZINC001082724893 1090060645 /nfs/dbraw/zinc/06/06/45/1090060645.db2.gz UBKZRUSFSQPQJJ-FVQBIDKESA-N 1 3 323.506 2.271 20 0 DEADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CC1CCC(C)CC1 ZINC001082766636 1090072435 /nfs/dbraw/zinc/07/24/35/1090072435.db2.gz OJQPIUYDEGSIHL-CLKYRPBMSA-N 1 3 318.465 2.215 20 0 DEADHO CC(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)CN(C)CC(C)(C)C ZINC001410308314 1090533161 /nfs/dbraw/zinc/53/31/61/1090533161.db2.gz IVYUGYYEKRFGLC-INIZCTEOSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]21 ZINC001085024929 1090598221 /nfs/dbraw/zinc/59/82/21/1090598221.db2.gz PKPQZAYDFAEMNT-IXDOHACOSA-N 1 3 309.498 2.151 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]21 ZINC001085024929 1090598227 /nfs/dbraw/zinc/59/82/27/1090598227.db2.gz PKPQZAYDFAEMNT-IXDOHACOSA-N 1 3 309.498 2.151 20 0 DEADHO Cc1ccccc1C[NH2+][C@H](C)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001410442462 1090678159 /nfs/dbraw/zinc/67/81/59/1090678159.db2.gz SSVQNLIQYHAWFM-DOTOQJQBSA-N 1 3 317.477 2.273 20 0 DEADHO C[C@@H](CN(C)C(=O)c1cccc(CN(C)C)c1)[NH2+]CC1CC1 ZINC001410508719 1091019595 /nfs/dbraw/zinc/01/95/95/1091019595.db2.gz LFZMMXXJPSUFPT-AWEZNQCLSA-N 1 3 303.450 2.208 20 0 DEADHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCCC1CCCC1 ZINC001274262889 1091156498 /nfs/dbraw/zinc/15/64/98/1091156498.db2.gz JRNPHURZXXWSAA-LAQIPUCWSA-N 1 3 307.482 2.313 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1CCCN(Cc2ccccc2)[C@@H]1C ZINC001411085947 1091328728 /nfs/dbraw/zinc/32/87/28/1091328728.db2.gz OMACDYYXZZUXAN-AEFFLSMTSA-N 1 3 317.477 2.498 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCCN(Cc2ccccc2)[C@@H]1C ZINC001411085947 1091328734 /nfs/dbraw/zinc/32/87/34/1091328734.db2.gz OMACDYYXZZUXAN-AEFFLSMTSA-N 1 3 317.477 2.498 20 0 DEADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](CC1CCCCC1)CC2 ZINC001275038282 1091527023 /nfs/dbraw/zinc/52/70/23/1091527023.db2.gz CAYRPSQAMDWJBO-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO C[NH+](C)CCN1C[C@@H]2CCN(Cc3cc(O)cc(Cl)c3)[C@@H]2C1 ZINC001276125287 1091572997 /nfs/dbraw/zinc/57/29/97/1091572997.db2.gz FAPDIEKDZYMQSP-WMLDXEAASA-N 1 3 323.868 2.113 20 0 DEADHO Cc1ccc(CN2CC[C@H]3C[N@@H+](CCN(C)C)C[C@H]32)cc1F ZINC001276233475 1091721850 /nfs/dbraw/zinc/72/18/50/1091721850.db2.gz ZTXWJBHITFBQHR-FUHWJXTLSA-N 1 3 305.441 2.202 20 0 DEADHO Cc1ccc(CN2CC[C@H]3C[N@H+](CCN(C)C)C[C@H]32)cc1F ZINC001276233475 1091721855 /nfs/dbraw/zinc/72/18/55/1091721855.db2.gz ZTXWJBHITFBQHR-FUHWJXTLSA-N 1 3 305.441 2.202 20 0 DEADHO CC/C=C\CC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001671086640 1091764808 /nfs/dbraw/zinc/76/48/08/1091764808.db2.gz YVKYFCVDRBCEQG-JXCVUKRWSA-N 1 3 316.449 2.233 20 0 DEADHO CC/C=C\CC[N@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001671086640 1091764819 /nfs/dbraw/zinc/76/48/19/1091764819.db2.gz YVKYFCVDRBCEQG-JXCVUKRWSA-N 1 3 316.449 2.233 20 0 DEADHO CN(C)CC[N@@H+]1CCC2(C1)CCN(Cc1cccnc1F)CC2 ZINC001275650778 1091944599 /nfs/dbraw/zinc/94/45/99/1091944599.db2.gz XBTBWUJKUOYELM-UHFFFAOYSA-N 1 3 320.456 2.070 20 0 DEADHO CN(C)CC[N@H+]1CCC2(C1)CCN(Cc1cccnc1F)CC2 ZINC001275650778 1091944609 /nfs/dbraw/zinc/94/46/09/1091944609.db2.gz XBTBWUJKUOYELM-UHFFFAOYSA-N 1 3 320.456 2.070 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CCC(C)CC2)CC1 ZINC000948886244 1091982059 /nfs/dbraw/zinc/98/20/59/1091982059.db2.gz LGFTWEYNFJIECI-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@H+]1CCC[C@@H](N(C)C(=O)CN2CCC(C)CC2)CC1 ZINC000948886244 1091982063 /nfs/dbraw/zinc/98/20/63/1091982063.db2.gz LGFTWEYNFJIECI-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)c2cccc(CC[NH+](C)C)c2)CN1C1CC1 ZINC001411895644 1092309412 /nfs/dbraw/zinc/30/94/12/1092309412.db2.gz GHPYLLDAAYJMIB-PBHICJAKSA-N 1 3 315.461 2.146 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCCC[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001489244353 1092982910 /nfs/dbraw/zinc/98/29/10/1092982910.db2.gz UBADVKMKICGEOK-CVEARBPZSA-N 1 3 315.477 2.436 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]C/C=C\Cl)CCN1C(=O)CN(C)C1CCC1 ZINC001421102237 1171494887 /nfs/dbraw/zinc/49/48/87/1171494887.db2.gz NCKRGZCQNIHVQA-AKMKWWRZSA-N 1 3 313.873 2.192 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@]1(C)CCC[N@@H+](CCCF)C1)N(C)C ZINC001421288437 1171676351 /nfs/dbraw/zinc/67/63/51/1171676351.db2.gz JMRZJZXFJKEHLO-NVXWUHKLSA-N 1 3 315.477 2.151 20 0 DEADHO Nc1cccc(CN(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC001236562999 1138376286 /nfs/dbraw/zinc/37/62/86/1138376286.db2.gz VIWZTVAUYKYUND-JCNLHEQBSA-N 1 3 311.433 2.331 20 0 DEADHO Cc1cccc(C)c1NC(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239218266 1138991131 /nfs/dbraw/zinc/99/11/31/1138991131.db2.gz XRGGKYYGXHCKOC-OAHLLOKOSA-N 1 3 316.449 2.299 20 0 DEADHO C[C@H](NC(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC001239308221 1139017585 /nfs/dbraw/zinc/01/75/85/1139017585.db2.gz UBVAXNFKORHFBD-RDJZCZTQSA-N 1 3 324.513 2.280 20 0 DEADHO NCCC[NH2+]CCCNC(=S)Nc1cccc2ccccc21 ZINC001239396315 1139033680 /nfs/dbraw/zinc/03/36/80/1139033680.db2.gz FOIFCTJIEROVRB-UHFFFAOYSA-N 1 3 316.474 2.455 20 0 DEADHO CN1CCC=C(c2ccc(NC(=O)NC3CC[NH2+]CC3)cc2)C1 ZINC001241569939 1139828783 /nfs/dbraw/zinc/82/87/83/1139828783.db2.gz CZDWBGMJLVHBNH-UHFFFAOYSA-N 1 3 314.433 2.279 20 0 DEADHO C[C@@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCC1CC1 ZINC001491579985 1140171298 /nfs/dbraw/zinc/17/12/98/1140171298.db2.gz PJEULYVUMRWBPL-SUMWQHHRSA-N 1 3 313.461 2.093 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CCC(F)(F)F ZINC001319193766 1140522524 /nfs/dbraw/zinc/52/25/24/1140522524.db2.gz FVVUKUMCWNLMLV-QWHCGFSZSA-N 1 3 323.403 2.155 20 0 DEADHO CC(C)Oc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCCC[C@H]1N ZINC001246012707 1140845886 /nfs/dbraw/zinc/84/58/86/1140845886.db2.gz OIHBPVRQPJGONM-OAGGEKHMSA-N 1 3 322.449 2.073 20 0 DEADHO O[C@@H](CN[C@H](C1CCC1)C1C[NH2+]C1)COc1ccc(Cl)cc1 ZINC001246017552 1140846452 /nfs/dbraw/zinc/84/64/52/1140846452.db2.gz BOIFBAVXDCCZRF-DOTOQJQBSA-N 1 3 324.852 2.057 20 0 DEADHO O[C@@]1(C[NH+]2CCC(Cc3ccccc3F)CC2)CCCNC1 ZINC001246059088 1140855696 /nfs/dbraw/zinc/85/56/96/1140855696.db2.gz YTPRCEHZWZLFHW-SFHVURJKSA-N 1 3 306.425 2.195 20 0 DEADHO O[C@@]1(CN2CCC(Cc3ccccc3F)CC2)CCC[NH2+]C1 ZINC001246059088 1140855699 /nfs/dbraw/zinc/85/56/99/1140855699.db2.gz YTPRCEHZWZLFHW-SFHVURJKSA-N 1 3 306.425 2.195 20 0 DEADHO F[C@H]1CNCC[C@@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001246090394 1140859662 /nfs/dbraw/zinc/85/96/62/1140859662.db2.gz FQTXWTURERSQFB-PJVZLEMVSA-N 1 3 317.452 2.472 20 0 DEADHO F[C@H]1CNCC[C@@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246090394 1140859663 /nfs/dbraw/zinc/85/96/63/1140859663.db2.gz FQTXWTURERSQFB-PJVZLEMVSA-N 1 3 317.452 2.472 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@@H]1CN[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001246118423 1140863047 /nfs/dbraw/zinc/86/30/47/1140863047.db2.gz HDYDMYWBBGSDFU-KBAYOESNSA-N 1 3 315.461 2.013 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001246203683 1140872936 /nfs/dbraw/zinc/87/29/36/1140872936.db2.gz CUQKLGAIIMZXRZ-ZACQAIPSSA-N 1 3 301.434 2.151 20 0 DEADHO COc1ccc2c(c1)C[C@H](CNC1C[C@H]3CC[C@@H](C1)[NH2+]3)CO2 ZINC001246419821 1140896458 /nfs/dbraw/zinc/89/64/58/1140896458.db2.gz JHHQWROPKQBLRA-SLHHOWHOSA-N 1 3 302.418 2.119 20 0 DEADHO COc1ccc2c(c1)OC[C@@H](CNC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246476183 1140914842 /nfs/dbraw/zinc/91/48/42/1140914842.db2.gz XLSRTLBVTUPGBC-SLHHOWHOSA-N 1 3 302.418 2.119 20 0 DEADHO CCOC(=O)C1(C)CCC(N2CCC(F)(F)[C@@H](C[NH3+])C2)CC1 ZINC001246557121 1140963181 /nfs/dbraw/zinc/96/31/81/1140963181.db2.gz LLKOJQLPUDOMPG-OPFPJEHXSA-N 1 3 318.408 2.414 20 0 DEADHO COC(=O)CC1CCC(N2CCC(F)(F)[C@@H](C[NH3+])C2)CC1 ZINC001246562642 1140968231 /nfs/dbraw/zinc/96/82/31/1140968231.db2.gz ZARYKEXDEMHTLL-CPCZMJQVSA-N 1 3 304.381 2.024 20 0 DEADHO NC[C@@H]1CCCC[N@@H+](C2CCN(C(=O)c3ccccc3)CC2)C1 ZINC001246582915 1140988723 /nfs/dbraw/zinc/98/87/23/1140988723.db2.gz PCNKXHFPJMGQOZ-INIZCTEOSA-N 1 3 315.461 2.352 20 0 DEADHO NC[C@@H]1CCCC[N@H+](C2CCN(C(=O)c3ccccc3)CC2)C1 ZINC001246582915 1140988737 /nfs/dbraw/zinc/98/87/37/1140988737.db2.gz PCNKXHFPJMGQOZ-INIZCTEOSA-N 1 3 315.461 2.352 20 0 DEADHO FC(F)(F)CN1CCC([N@@H+]2CCC[C@@]23CCCNC3)CC1 ZINC001246610615 1141003147 /nfs/dbraw/zinc/00/31/47/1141003147.db2.gz PXLJQNSHPQJJHC-CQSZACIVSA-N 1 3 305.388 2.231 20 0 DEADHO FC(F)(F)CN1CCC([N@H+]2CCC[C@@]23CCCNC3)CC1 ZINC001246610615 1141003151 /nfs/dbraw/zinc/00/31/51/1141003151.db2.gz PXLJQNSHPQJJHC-CQSZACIVSA-N 1 3 305.388 2.231 20 0 DEADHO CCCC[C@H](CC(C)C)[N@@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246630608 1141012959 /nfs/dbraw/zinc/01/29/59/1141012959.db2.gz UBMYZVQVTPTBQC-QAPCUYQASA-N 1 3 307.482 2.003 20 0 DEADHO CCCC[C@H](CC(C)C)[N@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246630608 1141012969 /nfs/dbraw/zinc/01/29/69/1141012969.db2.gz UBMYZVQVTPTBQC-QAPCUYQASA-N 1 3 307.482 2.003 20 0 DEADHO CCOC(=O)[C@H]1C[N@@H+]([C@@H]2CCN[C@@H](C)C2)C[C@H]2CCCC[C@@H]12 ZINC001246673943 1141031987 /nfs/dbraw/zinc/03/19/87/1141031987.db2.gz QYYYBEBIXQMNJU-UTSKFRMZSA-N 1 3 308.466 2.428 20 0 DEADHO CCOC(=O)[C@H]1C[N@H+]([C@@H]2CCN[C@@H](C)C2)C[C@H]2CCCC[C@@H]12 ZINC001246673943 1141031995 /nfs/dbraw/zinc/03/19/95/1141031995.db2.gz QYYYBEBIXQMNJU-UTSKFRMZSA-N 1 3 308.466 2.428 20 0 DEADHO FC(F)(F)c1nn(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2c1CNCC2 ZINC001246861592 1141091471 /nfs/dbraw/zinc/09/14/71/1141091471.db2.gz KYHACFHIABDDQM-ULKQDVFKSA-N 1 3 300.328 2.003 20 0 DEADHO CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1cc(C)ccc1C)N(C)C ZINC001321339565 1141185751 /nfs/dbraw/zinc/18/57/51/1141185751.db2.gz WEFSIHCXOMJYDM-JTHGQSKGSA-N 1 3 317.477 2.406 20 0 DEADHO CCOC(=O)[C@]12CCC[C@@H]1C[C@H]([NH2+][C@@H]1CC[C@@H]3CN(C)C[C@H]13)C2 ZINC001474757228 1141205494 /nfs/dbraw/zinc/20/54/94/1141205494.db2.gz SDPQGENNUUQLIT-NWBNHEMOSA-N 1 3 320.477 2.428 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NCc1ccnn1-c1ccncc1 ZINC001414069306 1141314839 /nfs/dbraw/zinc/31/48/39/1141314839.db2.gz BKFPYOORBIDBAB-CVEARBPZSA-N 1 3 313.449 2.477 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NCc1ccnn1-c1ccncc1 ZINC001414069306 1141314842 /nfs/dbraw/zinc/31/48/42/1141314842.db2.gz BKFPYOORBIDBAB-CVEARBPZSA-N 1 3 313.449 2.477 20 0 DEADHO C[C@@H](C[NH2+]CCC1=CCCCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001321991614 1141377626 /nfs/dbraw/zinc/37/76/26/1141377626.db2.gz QDZLLZYWNKPABP-CVEARBPZSA-N 1 3 307.482 2.313 20 0 DEADHO CN(C)c1cc[nH+]cc1NC1=CC[C@@H](N2CCOCC2)CC1 ZINC001249553784 1141899649 /nfs/dbraw/zinc/89/96/49/1141899649.db2.gz KSTZWPULEALAAR-OAHLLOKOSA-N 1 3 302.422 2.328 20 0 DEADHO CC/C=C/CC[NH2+]C[C@@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001324225890 1142035199 /nfs/dbraw/zinc/03/51/99/1142035199.db2.gz NTHSRZVSTJUXAC-XLYSIVADSA-N 1 3 307.482 2.265 20 0 DEADHO CN1CCC[C@H]1CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC001250684920 1142266447 /nfs/dbraw/zinc/26/64/47/1142266447.db2.gz AVALTAWPXASKNZ-GJZGRUSLSA-N 1 3 312.841 2.154 20 0 DEADHO CCCCCC[NH2+][C@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC001278671741 1142761840 /nfs/dbraw/zinc/76/18/40/1142761840.db2.gz BGURJKDTKZRHKQ-HNNXBMFYSA-N 1 3 306.454 2.359 20 0 DEADHO CCN(CC)C[C@H](O)C[NH2+]CCc1cccc(Cl)c1F ZINC001253214101 1142854800 /nfs/dbraw/zinc/85/48/00/1142854800.db2.gz NOXPMPJVJPRKBE-CYBMUJFWSA-N 1 3 302.821 2.314 20 0 DEADHO CC[NH+](CC)C[C@@H](O)CNCC1(Cc2ccccn2)CCC1 ZINC001253213934 1142854770 /nfs/dbraw/zinc/85/47/70/1142854770.db2.gz WZIJYQPHSZCSLO-KRWDZBQOSA-N 1 3 305.466 2.087 20 0 DEADHO CC[NH+](CC)C[C@@H](O)CNC1(Cc2ccccc2)CCOCC1 ZINC001253212458 1142854902 /nfs/dbraw/zinc/85/49/02/1142854902.db2.gz GRYGPADZAMVWPB-SFHVURJKSA-N 1 3 320.477 2.071 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCNC[C@@H](O)CC1(CO)CCCC1 ZINC001338447667 1142856447 /nfs/dbraw/zinc/85/64/47/1142856447.db2.gz OBWZUCTUVSEKKJ-SJORKVTESA-N 1 3 312.498 2.144 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCNC[C@@H](O)CC1(CO)CCCC1 ZINC001338447667 1142856448 /nfs/dbraw/zinc/85/64/48/1142856448.db2.gz OBWZUCTUVSEKKJ-SJORKVTESA-N 1 3 312.498 2.144 20 0 DEADHO C[C@@H]1CCCCN1CCC[NH2+]C[C@@H](O)CC1(CO)CCCC1 ZINC001338447667 1142856449 /nfs/dbraw/zinc/85/64/49/1142856449.db2.gz OBWZUCTUVSEKKJ-SJORKVTESA-N 1 3 312.498 2.144 20 0 DEADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C[C@@H](O)C(C)(C)C)C2 ZINC001253725885 1142899181 /nfs/dbraw/zinc/89/91/81/1142899181.db2.gz DKAPYRDOKOUPDF-SCTDSRPQSA-N 1 3 324.509 2.074 20 0 DEADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C[C@@H](O)C(C)(C)C)C2 ZINC001253725885 1142899182 /nfs/dbraw/zinc/89/91/82/1142899182.db2.gz DKAPYRDOKOUPDF-SCTDSRPQSA-N 1 3 324.509 2.074 20 0 DEADHO CC(C)[C@H](O)C[N@@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001253768679 1142923118 /nfs/dbraw/zinc/92/31/18/1142923118.db2.gz WKFAYJKIUWDALT-GUDVDZBRSA-N 1 3 302.462 2.457 20 0 DEADHO CC(C)[C@H](O)C[N@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001253768679 1142923130 /nfs/dbraw/zinc/92/31/30/1142923130.db2.gz WKFAYJKIUWDALT-GUDVDZBRSA-N 1 3 302.462 2.457 20 0 DEADHO CC(C)[C@H](O)CN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001253768679 1142923135 /nfs/dbraw/zinc/92/31/35/1142923135.db2.gz WKFAYJKIUWDALT-GUDVDZBRSA-N 1 3 302.462 2.457 20 0 DEADHO CC(C)[C@H](O)CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001253768679 1142923146 /nfs/dbraw/zinc/92/31/46/1142923146.db2.gz WKFAYJKIUWDALT-GUDVDZBRSA-N 1 3 302.462 2.457 20 0 DEADHO CC(=O)N1CCC([N@@H+]2CCCC[C@H]2CCN2CCCC2)CC1 ZINC001254427537 1143114598 /nfs/dbraw/zinc/11/45/98/1143114598.db2.gz VYSFSSULUNYUQD-KRWDZBQOSA-N 1 3 307.482 2.338 20 0 DEADHO CC(=O)N1CCC([N@H+]2CCCC[C@H]2CCN2CCCC2)CC1 ZINC001254427537 1143114605 /nfs/dbraw/zinc/11/46/05/1143114605.db2.gz VYSFSSULUNYUQD-KRWDZBQOSA-N 1 3 307.482 2.338 20 0 DEADHO COC(=O)C[C@H]([NH2+][C@@H]1CCCN(C)CC1)c1cccc(OC)c1 ZINC001254511465 1143165671 /nfs/dbraw/zinc/16/56/71/1143165671.db2.gz ADMXBCPULBZGCS-WBVHZDCISA-N 1 3 320.433 2.373 20 0 DEADHO CN1CCC[C@@H]([N@@H+]2CCCN(Cc3ccncc3)CC2)CC1 ZINC001254516498 1143172373 /nfs/dbraw/zinc/17/23/73/1143172373.db2.gz NLZDFIUPWYEUKT-GOSISDBHSA-N 1 3 302.466 2.074 20 0 DEADHO CN1CCC[C@@H]([N@H+]2CCCN(Cc3ccncc3)CC2)CC1 ZINC001254516498 1143172380 /nfs/dbraw/zinc/17/23/80/1143172380.db2.gz NLZDFIUPWYEUKT-GOSISDBHSA-N 1 3 302.466 2.074 20 0 DEADHO COC(=O)c1ccc2c(c1)CC[N@H+]([C@@H]1CCCN(C)CC1)C2 ZINC001254518273 1143180304 /nfs/dbraw/zinc/18/03/04/1143180304.db2.gz BMFNWMKCHROHFT-QGZVFWFLSA-N 1 3 302.418 2.316 20 0 DEADHO COC(=O)c1ccc2c(c1)CC[N@@H+]([C@@H]1CCCN(C)CC1)C2 ZINC001254518273 1143180315 /nfs/dbraw/zinc/18/03/15/1143180315.db2.gz BMFNWMKCHROHFT-QGZVFWFLSA-N 1 3 302.418 2.316 20 0 DEADHO c1ccc2c(c1)CCN1CC[N@@H+]([C@H]3CC4CCN(CC4)C3)C[C@@H]21 ZINC001254864853 1143345529 /nfs/dbraw/zinc/34/55/29/1143345529.db2.gz UHLILOZHRAOSLM-ICSRJNTNSA-N 1 3 311.473 2.386 20 0 DEADHO c1ccc2c(c1)CCN1CC[N@H+]([C@H]3CC4CCN(CC4)C3)C[C@@H]21 ZINC001254864853 1143345542 /nfs/dbraw/zinc/34/55/42/1143345542.db2.gz UHLILOZHRAOSLM-ICSRJNTNSA-N 1 3 311.473 2.386 20 0 DEADHO Cc1ccc(C[C@@H](C)N2CCN(CCC[NH+](C)C)CC2)cc1 ZINC001255793453 1143806753 /nfs/dbraw/zinc/80/67/53/1143806753.db2.gz NGHVKBPDKVPSOA-GOSISDBHSA-N 1 3 303.494 2.495 20 0 DEADHO CCC(CC)C(=O)N1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001256619095 1143857620 /nfs/dbraw/zinc/85/76/20/1143857620.db2.gz SGRXGIXNXAMSHT-MGNMYUMUSA-N 1 3 307.482 2.238 20 0 DEADHO CCC(CC)C(=O)N1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001256619095 1143857621 /nfs/dbraw/zinc/85/76/21/1143857621.db2.gz SGRXGIXNXAMSHT-MGNMYUMUSA-N 1 3 307.482 2.238 20 0 DEADHO c1ccc(COCC[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256678015 1143861269 /nfs/dbraw/zinc/86/12/69/1143861269.db2.gz JREFIVHKXRSOJS-UHFFFAOYSA-N 1 3 318.461 2.436 20 0 DEADHO CCCN(CCC)CC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256678115 1143861314 /nfs/dbraw/zinc/86/13/14/1143861314.db2.gz KWLTYTHRUAZJRU-UHFFFAOYSA-N 1 3 311.514 2.341 20 0 DEADHO c1cnc2c(n1)CCC[C@@H]2[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256681596 1143861743 /nfs/dbraw/zinc/86/17/43/1143861743.db2.gz YHFNLMGXYUPMAY-DQPZFDDXSA-N 1 3 316.449 2.087 20 0 DEADHO COc1cc([C@H](C)[NH2+]C2CCC(N3CCOCC3)CC2)ccn1 ZINC001256687635 1143862285 /nfs/dbraw/zinc/86/22/85/1143862285.db2.gz DTSWNFKYBKVGAK-OOHWJJMZSA-N 1 3 319.449 2.384 20 0 DEADHO CC(C)C(=O)N1CC[C@H](N[C@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256904804 1143874211 /nfs/dbraw/zinc/87/42/11/1143874211.db2.gz KGXZHWRDXIRZLW-HOTGVXAUSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)C(=O)N1CC[C@H](N[C@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256904804 1143874212 /nfs/dbraw/zinc/87/42/12/1143874212.db2.gz KGXZHWRDXIRZLW-HOTGVXAUSA-N 1 3 307.482 2.240 20 0 DEADHO COCc1cccc([C@@H](CO)[NH2+]C2CCN(C(C)C)CC2)c1 ZINC001257213846 1143893729 /nfs/dbraw/zinc/89/37/29/1143893729.db2.gz SETNLUFSKJNMRV-GOSISDBHSA-N 1 3 306.450 2.329 20 0 DEADHO CC(=O)N1CCCC[C@@]12CCN(C1CC[NH+](C(C)C)CC1)C2 ZINC001257219077 1143894338 /nfs/dbraw/zinc/89/43/38/1143894338.db2.gz CTAWXXVBGUPWSC-SFHVURJKSA-N 1 3 307.482 2.336 20 0 DEADHO CCC[C@H](CC)[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001257261457 1143896037 /nfs/dbraw/zinc/89/60/37/1143896037.db2.gz YTHFKEGEUKWOFU-KRWDZBQOSA-N 1 3 319.493 2.389 20 0 DEADHO CCC[C@H](CC)[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001257261457 1143896038 /nfs/dbraw/zinc/89/60/38/1143896038.db2.gz YTHFKEGEUKWOFU-KRWDZBQOSA-N 1 3 319.493 2.389 20 0 DEADHO O[C@@H]1CCN(C2CC[NH+](CCc3ccccc3)CC2)CC[C@H]1F ZINC001258140880 1143977422 /nfs/dbraw/zinc/97/74/22/1143977422.db2.gz MGBUDKCDMFLRRO-RTBURBONSA-N 1 3 320.452 2.488 20 0 DEADHO C[C@H](Cc1ccco1)N[C@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001258177813 1143980682 /nfs/dbraw/zinc/98/06/82/1143980682.db2.gz FGZNKGIYEOOHIL-OCCSQVGLSA-N 1 3 311.426 2.390 20 0 DEADHO COC(=O)[C@H](C[NH3+])CN[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC001258674584 1144032920 /nfs/dbraw/zinc/03/29/20/1144032920.db2.gz ANILVYVXMYQGCT-GXSJLCMTSA-N 1 3 319.232 2.262 20 0 DEADHO CCC[NH+]1CCC(N[C@@H]2CCN(Cc3ccccn3)C2)CC1 ZINC001258770381 1144039126 /nfs/dbraw/zinc/03/91/26/1144039126.db2.gz XTIVZBPUSFJTLP-GOSISDBHSA-N 1 3 302.466 2.120 20 0 DEADHO COc1cc(C[C@@H](C)N[C@@H]2CCC[C@@H]2[NH3+])cc(OC)c1OC ZINC001258870032 1144048825 /nfs/dbraw/zinc/04/88/25/1144048825.db2.gz NLNLOBUPFDOBTL-KWCYVHTRSA-N 1 3 308.422 2.113 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCF)C1)N1CCCC1 ZINC001263914105 1144423333 /nfs/dbraw/zinc/42/33/33/1144423333.db2.gz PPPLRULRKDTONL-LSDHHAIUSA-N 1 3 313.461 2.095 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CCCF)C1)N(C)C ZINC001264118128 1144472380 /nfs/dbraw/zinc/47/23/80/1144472380.db2.gz AJPFNDKIIXULTH-HOTGVXAUSA-N 1 3 315.477 2.293 20 0 DEADHO CC/C=C\CC[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001264403181 1144530188 /nfs/dbraw/zinc/53/01/88/1144530188.db2.gz HBGZATLBAQQHFT-MGJQNXGFSA-N 1 3 307.482 2.169 20 0 DEADHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1CC[NH2+]CC1CCC1 ZINC001264518008 1144556158 /nfs/dbraw/zinc/55/61/58/1144556158.db2.gz NSMIQRFEVCFPQW-RHSMWYFYSA-N 1 3 318.465 2.359 20 0 DEADHO CC(C)=CC[NH2+]C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001265613508 1144718035 /nfs/dbraw/zinc/71/80/35/1144718035.db2.gz QCJBVVWIKKOFKP-INIZCTEOSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]CCC(C)(C)C)C1)N(C)C ZINC001265987083 1144777772 /nfs/dbraw/zinc/77/77/72/1144777772.db2.gz SSPITHGUJBSLPI-CVEARBPZSA-N 1 3 311.514 2.447 20 0 DEADHO CCCCC[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C[C@@H]1C ZINC001281687496 1144908207 /nfs/dbraw/zinc/90/82/07/1144908207.db2.gz ZBMNYJRNEDFAFX-ZFWWWQNUSA-N 1 3 306.454 2.420 20 0 DEADHO CCCCC[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C[C@@H]1C ZINC001281687496 1144908208 /nfs/dbraw/zinc/90/82/08/1144908208.db2.gz ZBMNYJRNEDFAFX-ZFWWWQNUSA-N 1 3 306.454 2.420 20 0 DEADHO CCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C[C@@H]1C ZINC001281687493 1144908427 /nfs/dbraw/zinc/90/84/27/1144908427.db2.gz ZBMNYJRNEDFAFX-DZGCQCFKSA-N 1 3 306.454 2.420 20 0 DEADHO CCCCC[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C[C@@H]1C ZINC001281687493 1144908432 /nfs/dbraw/zinc/90/84/32/1144908432.db2.gz ZBMNYJRNEDFAFX-DZGCQCFKSA-N 1 3 306.454 2.420 20 0 DEADHO CC/C=C/CC[NH+]1CC([C@@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001282717128 1145142406 /nfs/dbraw/zinc/14/24/06/1145142406.db2.gz PXWSFBBEOYWKBG-LQYUOIDQSA-N 1 3 307.482 2.264 20 0 DEADHO CN(C)c1ccccc1C[NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1 ZINC001365365937 1145860267 /nfs/dbraw/zinc/86/02/67/1145860267.db2.gz UWLDJCPUVSFUER-RBUKOAKNSA-N 1 3 317.477 2.220 20 0 DEADHO CN1C[C@@H]2CC[C@@H]([NH2+]C3CCN(C(=O)OC(C)(C)C)CC3)[C@@H]2C1 ZINC001365503986 1145882614 /nfs/dbraw/zinc/88/26/14/1145882614.db2.gz LAFYANAJMRNVBW-NUEKZKHPSA-N 1 3 323.481 2.316 20 0 DEADHO CC[C@H](C(=O)N1CCCCC[C@@H]([NH2+]C/C=C\Cl)C1)N(C)C ZINC001365883057 1146038508 /nfs/dbraw/zinc/03/85/08/1146038508.db2.gz HKEMCGAYYKLMOP-XIQZNWFMSA-N 1 3 315.889 2.440 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCc2ccccc2F)C1 ZINC001366101675 1147055393 /nfs/dbraw/zinc/05/53/93/1147055393.db2.gz HYDWWEQTHSILHQ-INIZCTEOSA-N 1 3 321.440 2.248 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2ccccc2F)C1 ZINC001366101675 1147055400 /nfs/dbraw/zinc/05/54/00/1147055400.db2.gz HYDWWEQTHSILHQ-INIZCTEOSA-N 1 3 321.440 2.248 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)CN(C)C(C)C)C2)c1 ZINC001366134415 1147071686 /nfs/dbraw/zinc/07/16/86/1147071686.db2.gz XSIOYDRDWKISLK-QAQDUYKDSA-N 1 3 303.450 2.072 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001366166298 1147086714 /nfs/dbraw/zinc/08/67/14/1147086714.db2.gz KLORMDCJXDMOHP-HGGBWVLCSA-N 1 3 324.428 2.211 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CCCC[N@@H+]1CCCF)N1CCCC1 ZINC001366208433 1147117627 /nfs/dbraw/zinc/11/76/27/1147117627.db2.gz IKKMQJOQJLGCQC-HNNXBMFYSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CCCC[N@H+]1CCCF)N1CCCC1 ZINC001366208433 1147117637 /nfs/dbraw/zinc/11/76/37/1147117637.db2.gz IKKMQJOQJLGCQC-HNNXBMFYSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001366286363 1147192987 /nfs/dbraw/zinc/19/29/87/1147192987.db2.gz JDLCLEMJZKCEHQ-ZBFHGGJFSA-N 1 3 309.498 2.247 20 0 DEADHO Cc1cc(C[NH2+][C@@H](C)CNC(=O)CN(C)C2CCC2)cs1 ZINC001366288270 1147194132 /nfs/dbraw/zinc/19/41/32/1147194132.db2.gz PREICTFWAPRVBG-LBPRGKRZSA-N 1 3 309.479 2.135 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CNC(=O)CN2CC[C@@H](C)C2)cc1C ZINC001366331922 1147219253 /nfs/dbraw/zinc/21/92/53/1147219253.db2.gz IOJWFMZFJACNIN-RHSMWYFYSA-N 1 3 317.477 2.240 20 0 DEADHO CC[C@H](C(=O)NCC[C@@H]1CC[N@H+](Cc2ccsc2)C1)N(C)C ZINC001366834573 1147587531 /nfs/dbraw/zinc/58/75/31/1147587531.db2.gz ARCGCQFQGNUBPM-GDBMZVCRSA-N 1 3 323.506 2.417 20 0 DEADHO CC[C@H](C(=O)NCC[C@@H]1CC[N@@H+](Cc2ccsc2)C1)N(C)C ZINC001366834573 1147587535 /nfs/dbraw/zinc/58/75/35/1147587535.db2.gz ARCGCQFQGNUBPM-GDBMZVCRSA-N 1 3 323.506 2.417 20 0 DEADHO CC(C)CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001367011751 1147632801 /nfs/dbraw/zinc/63/28/01/1147632801.db2.gz CTOZQJUCXDNHFN-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001367011751 1147632802 /nfs/dbraw/zinc/63/28/02/1147632802.db2.gz CTOZQJUCXDNHFN-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001316977556 1147642380 /nfs/dbraw/zinc/64/23/80/1147642380.db2.gz JHACERKLSXWHHB-JOGGYFKDSA-N 1 3 307.482 2.406 20 0 DEADHO CC/C=C\CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001316977556 1147642382 /nfs/dbraw/zinc/64/23/82/1147642382.db2.gz JHACERKLSXWHHB-JOGGYFKDSA-N 1 3 307.482 2.406 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001317062764 1147654957 /nfs/dbraw/zinc/65/49/57/1147654957.db2.gz QFLDDNFFKMDHSE-AEFFLSMTSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCC(F)(F)F)CC1)N(C)C ZINC001367195917 1147662658 /nfs/dbraw/zinc/66/26/58/1147662658.db2.gz BTULRNBXAAISIO-JHJVBQTASA-N 1 3 323.403 2.296 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@](C)(C[NH2+]CC1CC(C)C1)C1CC1 ZINC001367223535 1147666192 /nfs/dbraw/zinc/66/61/92/1147666192.db2.gz BSHSSIVQFMZVEQ-WFZFXDGQSA-N 1 3 318.465 2.181 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cccc(C)c1)N(C)C ZINC001367266200 1147671527 /nfs/dbraw/zinc/67/15/27/1147671527.db2.gz ZXXFZWVPYDULBM-NVXWUHKLSA-N 1 3 305.466 2.177 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]CCC(F)(F)F)CCCC1)N(C)C ZINC001367321814 1147677990 /nfs/dbraw/zinc/67/79/90/1147677990.db2.gz HGMIMJMTKPWXDJ-GFCCVEGCSA-N 1 3 323.403 2.298 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001317308593 1147688844 /nfs/dbraw/zinc/68/88/44/1147688844.db2.gz MBHIPXAOJKNDPS-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CN(CC[N@H+](C)CCCc1ccccc1)C(=O)[C@H]1CCCN1C ZINC001367512288 1147706354 /nfs/dbraw/zinc/70/63/54/1147706354.db2.gz VKFKDYXLCQEFNK-GOSISDBHSA-N 1 3 317.477 2.104 20 0 DEADHO CN(CC[N@@H+](C)CCCc1ccccc1)C(=O)[C@H]1CCCN1C ZINC001367512288 1147706356 /nfs/dbraw/zinc/70/63/56/1147706356.db2.gz VKFKDYXLCQEFNK-GOSISDBHSA-N 1 3 317.477 2.104 20 0 DEADHO Cc1cc(Cl)ccc1C[NH2+]CCN(C)C(=O)[C@H]1CCCN1C ZINC001317573392 1147727108 /nfs/dbraw/zinc/72/71/08/1147727108.db2.gz PAMRAGMPUYBVJU-MRXNPFEDSA-N 1 3 323.868 2.291 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001367715136 1147731601 /nfs/dbraw/zinc/73/16/01/1147731601.db2.gz NFQVMLPIZFRCOP-KGLIPLIRSA-N 1 3 319.440 2.246 20 0 DEADHO CC[C@H](C)C[NH2+]CCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001317626285 1147734785 /nfs/dbraw/zinc/73/47/85/1147734785.db2.gz OWEDHTOLPDPHSV-YOEHRIQHSA-N 1 3 315.477 2.293 20 0 DEADHO Cc1cc(C)cc(C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001317625695 1147734920 /nfs/dbraw/zinc/73/49/20/1147734920.db2.gz GDSPDVAAKYDUQU-GOSISDBHSA-N 1 3 319.493 2.438 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC1CCC2(CC2)CC1)N(C)C ZINC001367766306 1147739956 /nfs/dbraw/zinc/73/99/56/1147739956.db2.gz DATPSTFPFXKGMV-HOCLYGCPSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001367827486 1147754604 /nfs/dbraw/zinc/75/46/04/1147754604.db2.gz ADUQCONGEKPMIB-NVXWUHKLSA-N 1 3 317.477 2.273 20 0 DEADHO Cc1ccccc1C[N@H+](C)C[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001367827486 1147754606 /nfs/dbraw/zinc/75/46/06/1147754606.db2.gz ADUQCONGEKPMIB-NVXWUHKLSA-N 1 3 317.477 2.273 20 0 DEADHO C[C@@H](C[N@H+](C)CCCC1CCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001367829008 1147755009 /nfs/dbraw/zinc/75/50/09/1147755009.db2.gz DKRGEJQHQLPPKE-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCC1CCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001367829008 1147755011 /nfs/dbraw/zinc/75/50/11/1147755011.db2.gz DKRGEJQHQLPPKE-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1cc(F)ccc1CNC1(CNC(=O)CCC[NH+](C)C)CC1 ZINC001368020898 1147832236 /nfs/dbraw/zinc/83/22/36/1147832236.db2.gz HWELUDBGMPXUIK-UHFFFAOYSA-N 1 3 321.440 2.214 20 0 DEADHO CCCCCCN(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC)C2 ZINC001325350629 1147894873 /nfs/dbraw/zinc/89/48/73/1147894873.db2.gz ZZQUMHSATALCNZ-ULQDDVLXSA-N 1 3 309.498 2.488 20 0 DEADHO CCCCCCN(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC)C2 ZINC001325350629 1147894874 /nfs/dbraw/zinc/89/48/74/1147894874.db2.gz ZZQUMHSATALCNZ-ULQDDVLXSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)=CC[NH2+]CC[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001326365654 1148085815 /nfs/dbraw/zinc/08/58/15/1148085815.db2.gz UDDOZPHNGAMUGI-DLBZAZTESA-N 1 3 307.482 2.123 20 0 DEADHO CCN1CCN(c2ccc(NC(=O)C[NH2+]CC(C)C)cc2)CC1 ZINC001326663085 1148189714 /nfs/dbraw/zinc/18/97/14/1148189714.db2.gz GZXCWVDPPPIJCK-UHFFFAOYSA-N 1 3 318.465 2.013 20 0 DEADHO CC(C)N(C)CC(=O)NC1(C)CC[NH+](CC2CCCC2)CC1 ZINC001368129385 1148257990 /nfs/dbraw/zinc/25/79/90/1148257990.db2.gz QBNLYVAWNNWKLD-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CC1CC(C[NH2+]C[C@]2(C)CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001368187830 1148315196 /nfs/dbraw/zinc/31/51/96/1148315196.db2.gz APUGXOGLVJVZNT-HTWSVDAQSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H](O)CCC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000278624058 214282170 /nfs/dbraw/zinc/28/21/70/214282170.db2.gz JYIODQBWXXZBBY-INIZCTEOSA-N 1 3 319.493 2.468 20 0 DEADHO CC(C)CN(CCN(C)C)C(=O)NCCC[NH+]1CCCCC1 ZINC000078946344 185133240 /nfs/dbraw/zinc/13/32/40/185133240.db2.gz OFGMLCZHULWHDM-UHFFFAOYSA-N 1 3 312.502 2.092 20 0 DEADHO CN(C)Cc1cccc(CNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000417076674 282149019 /nfs/dbraw/zinc/14/90/19/282149019.db2.gz WNKKYFSQHVCTPD-IAGOWNOFSA-N 1 3 318.465 2.065 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000418229641 529447443 /nfs/dbraw/zinc/44/74/43/529447443.db2.gz HQXLPVMYKIKTAR-ZFWWWQNUSA-N 1 3 324.494 2.048 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000489809223 282189844 /nfs/dbraw/zinc/18/98/44/282189844.db2.gz VDCFBQDPXYICCK-ZACQAIPSSA-N 1 3 322.497 2.129 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)NCC[N@@H+](CC)C1CC1 ZINC000417427345 529608822 /nfs/dbraw/zinc/60/88/22/529608822.db2.gz IUZYVRLJIKBNHQ-KRWDZBQOSA-N 1 3 318.465 2.032 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)NCC[N@H+](CC)C1CC1 ZINC000417427345 529608826 /nfs/dbraw/zinc/60/88/26/529608826.db2.gz IUZYVRLJIKBNHQ-KRWDZBQOSA-N 1 3 318.465 2.032 20 0 DEADHO CC[C@H](NCc1cccc(OCCN(C)C)c1)[C@@H]1CCC[NH2+]1 ZINC000422899307 529631655 /nfs/dbraw/zinc/63/16/55/529631655.db2.gz OINBGUQRKPSUDI-ROUUACIJSA-N 1 3 305.466 2.247 20 0 DEADHO CN(C)[C@H](CNC(=O)C[C@H]1CCCC[C@H]1[NH3+])c1ccccc1 ZINC000262541305 282238808 /nfs/dbraw/zinc/23/88/08/282238808.db2.gz RDMBUNHNKXZZQH-BRWVUGGUSA-N 1 3 303.450 2.313 20 0 DEADHO Cc1ccc(C[NH+]2CCC(C(=O)NCCN(C)C)CC2)cc1C ZINC000092615783 185329007 /nfs/dbraw/zinc/32/90/07/185329007.db2.gz KVEGNRNMLKCREP-UHFFFAOYSA-N 1 3 317.477 2.193 20 0 DEADHO CN(CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)CC(F)(F)F ZINC000422713937 529918010 /nfs/dbraw/zinc/91/80/10/529918010.db2.gz QEZHPRFCMNMARO-MGPQQGTHSA-N 1 3 307.404 2.381 20 0 DEADHO C[C@H](C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1)N1[C@H](C)CC[C@@H]1C ZINC000615619063 362660346 /nfs/dbraw/zinc/66/03/46/362660346.db2.gz LVBQATNBQUQWDB-KYHPRHEASA-N 1 3 307.482 2.192 20 0 DEADHO C[C@H](C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1)N1[C@H](C)CC[C@@H]1C ZINC000615619063 362660348 /nfs/dbraw/zinc/66/03/48/362660348.db2.gz LVBQATNBQUQWDB-KYHPRHEASA-N 1 3 307.482 2.192 20 0 DEADHO C[C@H](CCNC(=O)C1(N)CCCC1)[N@H+](C)Cc1ccccc1 ZINC000178857656 539637510 /nfs/dbraw/zinc/63/75/10/539637510.db2.gz BRHZETNMJNLWFH-OAHLLOKOSA-N 1 3 303.450 2.285 20 0 DEADHO C[C@H](CCNC(=O)C1(N)CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000178857656 539637513 /nfs/dbraw/zinc/63/75/13/539637513.db2.gz BRHZETNMJNLWFH-OAHLLOKOSA-N 1 3 303.450 2.285 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000236829509 539740887 /nfs/dbraw/zinc/74/08/87/539740887.db2.gz HPJDENXZVWLJHQ-IKGGRYGDSA-N 1 3 303.450 2.313 20 0 DEADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CNC1CC1 ZINC000237519769 539747141 /nfs/dbraw/zinc/74/71/41/539747141.db2.gz ZSTCEHWADHYEEU-HNNXBMFYSA-N 1 3 315.461 2.429 20 0 DEADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CNC1CC1 ZINC000237519769 539747146 /nfs/dbraw/zinc/74/71/46/539747146.db2.gz ZSTCEHWADHYEEU-HNNXBMFYSA-N 1 3 315.461 2.429 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])CCN1Cc1ccccc1 ZINC000237568857 539747958 /nfs/dbraw/zinc/74/79/58/539747958.db2.gz DHOHLOQSLXYXJL-SPUZQDLCSA-N 1 3 315.461 2.283 20 0 DEADHO C[C@@H](CNC(=O)N1CCN(C2CCCCC2)CC1)[N@H+](C)C1CC1 ZINC000138951938 186019815 /nfs/dbraw/zinc/01/98/15/186019815.db2.gz QBSVQHRJBCZHQN-HNNXBMFYSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H](CNC(=O)N1CCN(C2CCCCC2)CC1)[N@@H+](C)C1CC1 ZINC000138951938 186019817 /nfs/dbraw/zinc/01/98/17/186019817.db2.gz QBSVQHRJBCZHQN-HNNXBMFYSA-N 1 3 322.497 2.129 20 0 DEADHO Cn1cc2c(n1)CCC[C@H]2[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298072863 282694211 /nfs/dbraw/zinc/69/42/11/282694211.db2.gz LEWZMFCVGIJUDK-QGZVFWFLSA-N 1 3 311.433 2.451 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC1OCCO1 ZINC000189948431 186253363 /nfs/dbraw/zinc/25/33/63/186253363.db2.gz BROPHUGTEXJZDH-HUUCEWRRSA-N 1 3 304.434 2.106 20 0 DEADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000262868772 186316365 /nfs/dbraw/zinc/31/63/65/186316365.db2.gz UUPJTYXVTSRARN-YOEHRIQHSA-N 1 3 301.434 2.010 20 0 DEADHO CCN(CC)CCC[NH2+][C@H](C)c1cccc(-n2cnnn2)c1 ZINC000314261146 539881474 /nfs/dbraw/zinc/88/14/74/539881474.db2.gz YVHHBSSRMUZQRL-CQSZACIVSA-N 1 3 302.426 2.045 20 0 DEADHO CC(C)C[C@@H](CNC(=O)c1cccc2c1CCNC2)[NH+](C)C ZINC000317885784 539890396 /nfs/dbraw/zinc/89/03/96/539890396.db2.gz VFPCXGSFEKGMKR-HNNXBMFYSA-N 1 3 303.450 2.038 20 0 DEADHO CC(C)[NH+]1CCC(N[C@@H](C)c2cccc(-n3cnnn3)c2)CC1 ZINC000320108864 539895259 /nfs/dbraw/zinc/89/52/59/539895259.db2.gz ZIMBTGUTXFTZGG-AWEZNQCLSA-N 1 3 314.437 2.186 20 0 DEADHO COc1ccccc1C[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(C)C ZINC000320277269 539896191 /nfs/dbraw/zinc/89/61/91/539896191.db2.gz ZJOOQDHPXQHHAW-NVXWUHKLSA-N 1 3 308.466 2.259 20 0 DEADHO COc1ccccc1C[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(C)C ZINC000320277269 539896193 /nfs/dbraw/zinc/89/61/93/539896193.db2.gz ZJOOQDHPXQHHAW-NVXWUHKLSA-N 1 3 308.466 2.259 20 0 DEADHO CN(C)[C@@H]1CCC[N@H+](CCC(=O)N2CCc3ccccc32)CC1 ZINC000277083005 213281881 /nfs/dbraw/zinc/28/18/81/213281881.db2.gz FJOZPLMXSKLKAM-QGZVFWFLSA-N 1 3 315.461 2.382 20 0 DEADHO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)N2CCc3ccccc32)CC1 ZINC000277083005 213281883 /nfs/dbraw/zinc/28/18/83/213281883.db2.gz FJOZPLMXSKLKAM-QGZVFWFLSA-N 1 3 315.461 2.382 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000236771263 202000746 /nfs/dbraw/zinc/00/07/46/202000746.db2.gz FZMPTQWSKLQLQR-QGZVFWFLSA-N 1 3 303.450 2.313 20 0 DEADHO CCC[NH+]1CCC(N(C)C(=O)C[C@H](N)c2ccccc2)CC1 ZINC000236774652 202003192 /nfs/dbraw/zinc/00/31/92/202003192.db2.gz GOJFGVQIFFXBLN-KRWDZBQOSA-N 1 3 303.450 2.409 20 0 DEADHO CCCN(C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000417324986 283007060 /nfs/dbraw/zinc/00/70/60/283007060.db2.gz JPAADXBBLHJIHL-CVEARBPZSA-N 1 3 324.513 2.280 20 0 DEADHO CC[NH+](CC)CC1CCN(CCC(=O)Nc2cc(C)on2)CC1 ZINC000047977827 354336894 /nfs/dbraw/zinc/33/68/94/354336894.db2.gz HTZOYRMBHIOPOL-UHFFFAOYSA-N 1 3 322.453 2.365 20 0 DEADHO CCC[NH+]1CCC(NC(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000073664581 354975123 /nfs/dbraw/zinc/97/51/23/354975123.db2.gz XMMOHKVYWNQEDM-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000081123209 355408866 /nfs/dbraw/zinc/40/88/66/355408866.db2.gz VRGLJUBTKNDRQL-KRWDZBQOSA-N 1 3 303.450 2.060 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000081123209 355408867 /nfs/dbraw/zinc/40/88/67/355408867.db2.gz VRGLJUBTKNDRQL-KRWDZBQOSA-N 1 3 303.450 2.060 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000431063591 540176208 /nfs/dbraw/zinc/17/62/08/540176208.db2.gz FTCJDLGTVWEKSN-XBVQOTNRSA-N 1 3 301.434 2.066 20 0 DEADHO C[C@H](O)CCN(C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000093481573 355683657 /nfs/dbraw/zinc/68/36/57/355683657.db2.gz BCLAEJZBDMDZAD-INIZCTEOSA-N 1 3 319.493 2.420 20 0 DEADHO Cc1cc(F)ccc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000119763610 355787874 /nfs/dbraw/zinc/78/78/74/355787874.db2.gz IPPXESKQVHFWPB-UHFFFAOYSA-N 1 3 310.417 2.091 20 0 DEADHO CC[C@@H](N)C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000130587972 355843789 /nfs/dbraw/zinc/84/37/89/355843789.db2.gz DABIQHVSFBQOGJ-DLBZAZTESA-N 1 3 303.450 2.094 20 0 DEADHO CC[C@@H](N)C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000130587972 355843793 /nfs/dbraw/zinc/84/37/93/355843793.db2.gz DABIQHVSFBQOGJ-DLBZAZTESA-N 1 3 303.450 2.094 20 0 DEADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2scnc2C2CC2)CC1 ZINC000487268724 540212126 /nfs/dbraw/zinc/21/21/26/540212126.db2.gz MCVOYSOQRVSZDL-LSDHHAIUSA-N 1 3 321.490 2.488 20 0 DEADHO CCC[NH+]1CCC(N(C)C(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000171038691 355995723 /nfs/dbraw/zinc/99/57/23/355995723.db2.gz USNJXGGXGKLBTI-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO CCC1(CC)[C@H]([NH2+]C2CCN(CCN(C)C)CC2)C[C@H]1OC ZINC000181468332 356082192 /nfs/dbraw/zinc/08/21/92/356082192.db2.gz GZMMQTNQVYLKGD-IAGOWNOFSA-N 1 3 311.514 2.196 20 0 DEADHO C[C@H](CCNC(=O)NCCN1CCCCC1)[NH+]1CCCCC1 ZINC000181589152 356086809 /nfs/dbraw/zinc/08/68/09/356086809.db2.gz PDLRIKSYOZTZTQ-MRXNPFEDSA-N 1 3 310.486 2.036 20 0 DEADHO CCN1CCC(CC[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)CC1 ZINC000183031763 356156791 /nfs/dbraw/zinc/15/67/91/356156791.db2.gz PHZBZMTZJIHMAS-HZPDHXFCSA-N 1 3 316.511 2.054 20 0 DEADHO CCN(CCNC(=O)NCC[C@H](C)[NH+]1CCCCC1)C1CC1 ZINC000185036011 356200504 /nfs/dbraw/zinc/20/05/04/356200504.db2.gz BSMCJDRYDRPHFM-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO CCC[C@@H](CC)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195280873 356252839 /nfs/dbraw/zinc/25/28/39/356252839.db2.gz XVGXBORHEMRLMD-OAHLLOKOSA-N 1 3 324.513 2.423 20 0 DEADHO O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CCCCC[NH2+]1 ZINC000303089353 356392338 /nfs/dbraw/zinc/39/23/38/356392338.db2.gz MHDLBJJEYBRRHI-GOSISDBHSA-N 1 3 315.461 2.299 20 0 DEADHO C[C@H]1C[C@H](C)CN(C(=O)CN2CCCC3(CC[NH+](C)CC3)C2)C1 ZINC000374074580 291112178 /nfs/dbraw/zinc/11/21/78/291112178.db2.gz LUXIREJUWZGRBG-IRXDYDNUSA-N 1 3 321.509 2.299 20 0 DEADHO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000236918488 202070153 /nfs/dbraw/zinc/07/01/53/202070153.db2.gz UVNDUBRQDWFMOY-OTRWWLKZSA-N 1 3 303.450 2.139 20 0 DEADHO CC[C@H](N)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000236919754 202072452 /nfs/dbraw/zinc/07/24/52/202072452.db2.gz UKCIFXLHZUZORM-KRWDZBQOSA-N 1 3 303.450 2.416 20 0 DEADHO CCC[C@@H]([NH3+])C(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000236960060 202095406 /nfs/dbraw/zinc/09/54/06/202095406.db2.gz XMJCDPCZIFHJIP-SJORKVTESA-N 1 3 319.449 2.076 20 0 DEADHO C[NH+](C)CC(C)(C)CNCC(C)(C)NC(=O)OC(C)(C)C ZINC000382031558 356673763 /nfs/dbraw/zinc/67/37/63/356673763.db2.gz DQFFAOLGYIXJBG-UHFFFAOYSA-N 1 3 301.475 2.467 20 0 DEADHO C[C@H]1CCN(C(=O)CCCC[NH3+])CCN1Cc1ccccc1 ZINC000382742912 356678153 /nfs/dbraw/zinc/67/81/53/356678153.db2.gz PCBRXBZJKATSBZ-INIZCTEOSA-N 1 3 303.450 2.238 20 0 DEADHO CC[NH+]1CCC(CN[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000386757188 356697669 /nfs/dbraw/zinc/69/76/69/356697669.db2.gz DJORRURGLOMGCX-CQSZACIVSA-N 1 3 324.490 2.473 20 0 DEADHO CC[NH+]1CCC(CN[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000386757186 356697719 /nfs/dbraw/zinc/69/77/19/356697719.db2.gz DJORRURGLOMGCX-AWEZNQCLSA-N 1 3 324.490 2.473 20 0 DEADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388551767 356705727 /nfs/dbraw/zinc/70/57/27/356705727.db2.gz WJUHAZBZLGLPBF-JQHSSLGASA-N 1 3 315.461 2.107 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000390628150 356709547 /nfs/dbraw/zinc/70/95/47/356709547.db2.gz DOZILMLUMLZQLT-AWEZNQCLSA-N 1 3 319.449 2.475 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618661719 363563779 /nfs/dbraw/zinc/56/37/79/363563779.db2.gz AGLROVHQPHWYKW-XHSDSOJGSA-N 1 3 307.482 2.382 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618661719 363563783 /nfs/dbraw/zinc/56/37/83/363563783.db2.gz AGLROVHQPHWYKW-XHSDSOJGSA-N 1 3 307.482 2.382 20 0 DEADHO Cc1cc(NC(=O)[C@@H](C)C[NH3+])cc(N2CCN(C(C)C)CC2)c1 ZINC000579107094 356922411 /nfs/dbraw/zinc/92/24/11/356922411.db2.gz CIDQMZIALBNRGD-HNNXBMFYSA-N 1 3 318.465 2.059 20 0 DEADHO C[C@H](NCCN1CC[NH2+]CC1)c1sccc1Br ZINC000578978992 356900691 /nfs/dbraw/zinc/90/06/91/356900691.db2.gz SORGDCGBJGOLPE-JTQLQIEISA-N 1 3 318.284 2.066 20 0 DEADHO CC[C@@H](C(=O)Nc1ccc(OC)cc1)N1CCC([C@@H](C)[NH3+])CC1 ZINC000430950171 283257533 /nfs/dbraw/zinc/25/75/33/283257533.db2.gz GKYVIWYEPFHWJT-DYVFJYSZSA-N 1 3 319.449 2.472 20 0 DEADHO O=C(C[NH2+][C@H]1CCCC12CCC2)NCCN1CCCCCC1 ZINC000449339404 283272449 /nfs/dbraw/zinc/27/24/49/283272449.db2.gz JYXKBRPDQLEHJO-INIZCTEOSA-N 1 3 307.482 2.291 20 0 DEADHO Cc1ccccc1CN1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000591438725 357722540 /nfs/dbraw/zinc/72/25/40/357722540.db2.gz CKMAFPRRVWLPDO-KRWDZBQOSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccccc1CN1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000591438725 357722544 /nfs/dbraw/zinc/72/25/44/357722544.db2.gz CKMAFPRRVWLPDO-KRWDZBQOSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccccc1CN1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000591438726 357722739 /nfs/dbraw/zinc/72/27/39/357722739.db2.gz CKMAFPRRVWLPDO-QGZVFWFLSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccccc1CN1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000591438726 357722743 /nfs/dbraw/zinc/72/27/43/357722743.db2.gz CKMAFPRRVWLPDO-QGZVFWFLSA-N 1 3 315.461 2.027 20 0 DEADHO COC(=O)c1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC000592433734 357876001 /nfs/dbraw/zinc/87/60/01/357876001.db2.gz RCTBDAFFUZBCFL-KGLIPLIRSA-N 1 3 306.406 2.278 20 0 DEADHO C[C@@H](NCC1(C)OCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000179571507 199056379 /nfs/dbraw/zinc/05/63/79/199056379.db2.gz YPDBFQLGXSPIGD-CQSZACIVSA-N 1 3 308.422 2.041 20 0 DEADHO CCCN1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000666925668 540364789 /nfs/dbraw/zinc/36/47/89/540364789.db2.gz BERYIFWAALZQRF-DLBZAZTESA-N 1 3 322.497 2.131 20 0 DEADHO C[C@@H]([NH3+])c1ccc(NC(=O)Nc2cnn(CCN(C)C)c2)cc1 ZINC000667156549 540404433 /nfs/dbraw/zinc/40/44/33/540404433.db2.gz VSRATYQJZYBVIJ-GFCCVEGCSA-N 1 3 316.409 2.108 20 0 DEADHO COC(=O)c1cc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cs1 ZINC000595895292 358574043 /nfs/dbraw/zinc/57/40/43/358574043.db2.gz HXLYBTFQZHPBQK-UONOGXRCSA-N 1 3 308.447 2.356 20 0 DEADHO CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2cccc3c2CCNC3)C1 ZINC000667753102 540521154 /nfs/dbraw/zinc/52/11/54/540521154.db2.gz HUZTXANYYDHZGZ-HNNXBMFYSA-N 1 3 316.449 2.327 20 0 DEADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1cccc(CN)c1 ZINC000667728525 540515951 /nfs/dbraw/zinc/51/59/51/540515951.db2.gz UVCVTILSNXKHIG-MRXNPFEDSA-N 1 3 304.438 2.483 20 0 DEADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1cccc(CN)c1 ZINC000667728525 540515953 /nfs/dbraw/zinc/51/59/53/540515953.db2.gz UVCVTILSNXKHIG-MRXNPFEDSA-N 1 3 304.438 2.483 20 0 DEADHO C[C@@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1ccc(OCCN(C)C)cc1 ZINC000187682728 200144463 /nfs/dbraw/zinc/14/44/63/200144463.db2.gz PPEOXNXUCFXSCU-COXVUDFISA-N 1 3 306.450 2.437 20 0 DEADHO CCN(CCC[NH+](C)C)C(=O)NCc1cccc(CN(C)C)c1 ZINC000188669947 200284173 /nfs/dbraw/zinc/28/41/73/200284173.db2.gz VSWUQMSZZGIQFA-UHFFFAOYSA-N 1 3 320.481 2.231 20 0 DEADHO N[C@@H](CC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000237878306 202377757 /nfs/dbraw/zinc/37/77/57/202377757.db2.gz ZOQFIJXQSMHSGO-RDJZCZTQSA-N 1 3 301.434 2.021 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)C1 ZINC000601244311 359980185 /nfs/dbraw/zinc/98/01/85/359980185.db2.gz NIZJRPUQECFMCF-BRWVUGGUSA-N 1 3 324.513 2.421 20 0 DEADHO O=C([C@@H]1CCCN1C1CC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000426875569 296015917 /nfs/dbraw/zinc/01/59/17/296015917.db2.gz OLOVJAKNCSQTEY-WBVHZDCISA-N 1 3 305.466 2.090 20 0 DEADHO C[C@H](C[NH2+]CCN1CCN(C)C(C)(C)C1)CC1CCOCC1 ZINC000441349585 238019899 /nfs/dbraw/zinc/01/98/99/238019899.db2.gz GEQYOULLIMRXNO-INIZCTEOSA-N 1 3 311.514 2.055 20 0 DEADHO Cc1ccccc1CNC(=O)[C@H](C)N1CCC[C@@H](CC[NH3+])C1 ZINC000443060614 238101038 /nfs/dbraw/zinc/10/10/38/238101038.db2.gz PIKXYWLEPZGUKT-HOTGVXAUSA-N 1 3 303.450 2.061 20 0 DEADHO C[C@H](CNC(=O)[C@H](C)N1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000443065318 238102145 /nfs/dbraw/zinc/10/21/45/238102145.db2.gz ZORGBSNYNOWHQE-IXDOHACOSA-N 1 3 317.477 2.356 20 0 DEADHO CC(C)c1cc(N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)ncn1 ZINC000603927569 360875668 /nfs/dbraw/zinc/87/56/68/360875668.db2.gz TZWTVSMSMCCOMV-INIZCTEOSA-N 1 3 317.481 2.205 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NC/C=C/C[NH3+])CC1 ZINC000669486953 540842348 /nfs/dbraw/zinc/84/23/48/540842348.db2.gz YUFPMWQGAVCMEZ-NFAHFFEMSA-N 1 3 316.449 2.026 20 0 DEADHO CCN1CCN(c2cccc(NC3CC[NH+](C)CC3)c2)CC1 ZINC000191884506 200773956 /nfs/dbraw/zinc/77/39/56/200773956.db2.gz YLXMIXGFKIZMBJ-UHFFFAOYSA-N 1 3 302.466 2.335 20 0 DEADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccc(CN(C)C)cc1 ZINC000416880835 296027184 /nfs/dbraw/zinc/02/71/84/296027184.db2.gz GUEDASNPAGJYEM-RHSMWYFYSA-N 1 3 318.465 2.160 20 0 DEADHO C[C@@H]([NH3+])CCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000193310815 201026888 /nfs/dbraw/zinc/02/68/88/201026888.db2.gz APXBVRKYRCBVTB-VYDXJSESSA-N 1 3 303.450 2.283 20 0 DEADHO C=Cn1cc(C[NH2+][C@@H]2CCN(CCCOCC)C[C@H]2C)cn1 ZINC000194314971 201200753 /nfs/dbraw/zinc/20/07/53/201200753.db2.gz OJTDPVUCCDBTQB-NVXWUHKLSA-N 1 3 306.454 2.210 20 0 DEADHO C[C@@H](NC(=O)N(CCN(C)C)C1CCCC1)C1CC[NH+](C)CC1 ZINC000675190372 541298965 /nfs/dbraw/zinc/29/89/65/541298965.db2.gz KLBAGNFGSCFRCF-OAHLLOKOSA-N 1 3 324.513 2.233 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621655331 364490299 /nfs/dbraw/zinc/49/02/99/364490299.db2.gz KIPSESWJZGXRHC-HNNXBMFYSA-N 1 3 323.506 2.418 20 0 DEADHO CC(=O)N1CC[C@@H](N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000621742506 364533232 /nfs/dbraw/zinc/53/32/32/364533232.db2.gz YMNXWQGDRKCMKB-AYOQOUSVSA-N 1 3 315.461 2.107 20 0 DEADHO CC(=O)N1CC[C@@H](N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000621742506 364533235 /nfs/dbraw/zinc/53/32/35/364533235.db2.gz YMNXWQGDRKCMKB-AYOQOUSVSA-N 1 3 315.461 2.107 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000622092958 364660285 /nfs/dbraw/zinc/66/02/85/364660285.db2.gz PDHBGSCJSZGFOC-HZPDHXFCSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000622092958 364660288 /nfs/dbraw/zinc/66/02/88/364660288.db2.gz PDHBGSCJSZGFOC-HZPDHXFCSA-N 1 3 322.497 2.129 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(C)cc2OC)CC1 ZINC000449080499 240026844 /nfs/dbraw/zinc/02/68/44/240026844.db2.gz WRCNPDZYTIMNBB-MRXNPFEDSA-N 1 3 305.466 2.119 20 0 DEADHO COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)CO2 ZINC000624123661 365298497 /nfs/dbraw/zinc/29/84/97/365298497.db2.gz PXBYYZUJYZSSOX-ZBFHGGJFSA-N 1 3 304.434 2.320 20 0 DEADHO O=c1ccccn1CCN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000676901605 541521337 /nfs/dbraw/zinc/52/13/37/541521337.db2.gz ZYGDDPDEHKYRSJ-UHFFFAOYSA-N 1 3 317.477 2.436 20 0 DEADHO COc1ccc([C@H]2CCN(C[C@H]3CCC4(C[NH2+]C4)O3)C2)cc1F ZINC000629588633 367264829 /nfs/dbraw/zinc/26/48/29/367264829.db2.gz KDFGSEWNLXINFO-LSDHHAIUSA-N 1 3 320.408 2.145 20 0 DEADHO COc1ccc([C@@H]2CCN(C[C@H]3CCC4(C[NH2+]C4)O3)C2)cc1F ZINC000629588632 367265737 /nfs/dbraw/zinc/26/57/37/367265737.db2.gz KDFGSEWNLXINFO-HUUCEWRRSA-N 1 3 320.408 2.145 20 0 DEADHO C[C@@]1(CNC[C@@H](O)C[NH+]2CCCC2)CCCc2ccccc21 ZINC000629577697 367258297 /nfs/dbraw/zinc/25/82/97/367258297.db2.gz ZHDCAYQCMFDYOD-MJGOQNOKSA-N 1 3 302.462 2.327 20 0 DEADHO COCc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)o1 ZINC000629650600 367285439 /nfs/dbraw/zinc/28/54/39/367285439.db2.gz XTGHKRVAVDJCLA-XKQJLSEDSA-N 1 3 308.422 2.287 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(C)o1 ZINC000677138683 541546589 /nfs/dbraw/zinc/54/65/89/541546589.db2.gz AVQVAIXIJBBLEO-MRXNPFEDSA-N 1 3 321.465 2.005 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(C)o1 ZINC000677138683 541546586 /nfs/dbraw/zinc/54/65/86/541546586.db2.gz AVQVAIXIJBBLEO-MRXNPFEDSA-N 1 3 321.465 2.005 20 0 DEADHO O=C([C@H]1CCCN1C1CC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000426875564 296107783 /nfs/dbraw/zinc/10/77/83/296107783.db2.gz OLOVJAKNCSQTEY-DOTOQJQBSA-N 1 3 305.466 2.090 20 0 DEADHO O=C(CC[C@@H]1CC[NH2+]C1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000261539806 203076079 /nfs/dbraw/zinc/07/60/79/203076079.db2.gz DEUYTWGCNOOYMA-SJLPKXTDSA-N 1 3 315.461 2.157 20 0 DEADHO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](N)C2CCOCC2)c1 ZINC000261979466 203164838 /nfs/dbraw/zinc/16/48/38/203164838.db2.gz MCBWGOGLKGKFMS-KRWDZBQOSA-N 1 3 319.449 2.221 20 0 DEADHO C[C@H]([NH2+][C@@H](CO)CC1CC1)c1cccc(OCCN(C)C)c1 ZINC000678606982 541749311 /nfs/dbraw/zinc/74/93/11/541749311.db2.gz MLJFPESJJDSMLH-WMLDXEAASA-N 1 3 306.450 2.439 20 0 DEADHO C[C@@H]([NH2+][C@@H](CO)CC1CC1)c1cccc(OCCN(C)C)c1 ZINC000678606981 541749503 /nfs/dbraw/zinc/74/95/03/541749503.db2.gz MLJFPESJJDSMLH-RHSMWYFYSA-N 1 3 306.450 2.439 20 0 DEADHO C[C@H](CNC(=O)[C@H](C)[C@H](N)c1ccccc1)C[NH+]1CCCC1 ZINC000262351914 203270015 /nfs/dbraw/zinc/27/00/15/203270015.db2.gz VIGSDTXDWZHESS-INMHGKMJSA-N 1 3 303.450 2.171 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC[NH2+]1 ZINC000262353834 203270678 /nfs/dbraw/zinc/27/06/78/203270678.db2.gz HRRVLLIYVZWVIM-SZMVWBNQSA-N 1 3 315.461 2.328 20 0 DEADHO CC[C@H](N)C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000262629286 203355906 /nfs/dbraw/zinc/35/59/06/203355906.db2.gz DABIQHVSFBQOGJ-SJORKVTESA-N 1 3 303.450 2.094 20 0 DEADHO CC[C@H](N)C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000262629286 203355911 /nfs/dbraw/zinc/35/59/11/203355911.db2.gz DABIQHVSFBQOGJ-SJORKVTESA-N 1 3 303.450 2.094 20 0 DEADHO CCC[C@@](C)([NH3+])C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000262693898 203383852 /nfs/dbraw/zinc/38/38/52/203383852.db2.gz BRQUNNZCUYZNMT-SJLPKXTDSA-N 1 3 303.450 2.285 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)C2([NH3+])CCCCC2)CN1Cc1ccccc1 ZINC000262683656 203381187 /nfs/dbraw/zinc/38/11/87/203381187.db2.gz ZNCYDFBMJFLHHO-NVXWUHKLSA-N 1 3 315.461 2.427 20 0 DEADHO C[C@@H](CCCc1cccnc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000453222967 245008654 /nfs/dbraw/zinc/00/86/54/245008654.db2.gz SRUIBEZWUVSKQC-KRWDZBQOSA-N 1 3 318.509 2.408 20 0 DEADHO CCCN(C)CC(=O)N1CCC(C[N@H+](CC)CC2CC2)CC1 ZINC001422212796 1172398309 /nfs/dbraw/zinc/39/83/09/1172398309.db2.gz YCSQFMFWVZTPJC-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CCC(C[N@@H+](CC)CC2CC2)CC1 ZINC001422212796 1172398316 /nfs/dbraw/zinc/39/83/16/1172398316.db2.gz YCSQFMFWVZTPJC-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)[C@H](C)C1 ZINC000453333201 245070062 /nfs/dbraw/zinc/07/00/62/245070062.db2.gz BEULOXNGBNCMJZ-YGPBLSMFSA-N 1 3 323.525 2.338 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)C1 ZINC000246334089 284342900 /nfs/dbraw/zinc/34/29/00/284342900.db2.gz BSKDCLZXGGZKPL-IKGGRYGDSA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)C1 ZINC000246334089 284342903 /nfs/dbraw/zinc/34/29/03/284342903.db2.gz BSKDCLZXGGZKPL-IKGGRYGDSA-N 1 3 324.513 2.090 20 0 DEADHO CN(C)C[C@H](NC(=O)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000282968405 217356871 /nfs/dbraw/zinc/35/68/71/217356871.db2.gz OTJWMRXOGFKDDN-INIZCTEOSA-N 1 3 323.868 2.401 20 0 DEADHO CCCCNc1cc(C)nc(N[C@H](C)[C@@H]2CN(C)CCN2C)n1 ZINC001354267190 1151881031 /nfs/dbraw/zinc/88/10/31/1151881031.db2.gz WQHHQABSFAYMEE-CABCVRRESA-N 1 3 320.485 2.043 20 0 DEADHO CCCCNc1cc(C)nc(N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)n1 ZINC001354267190 1151881033 /nfs/dbraw/zinc/88/10/33/1151881033.db2.gz WQHHQABSFAYMEE-CABCVRRESA-N 1 3 320.485 2.043 20 0 DEADHO CCCCNc1cc(C)nc(N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)n1 ZINC001354267190 1151881035 /nfs/dbraw/zinc/88/10/35/1151881035.db2.gz WQHHQABSFAYMEE-CABCVRRESA-N 1 3 320.485 2.043 20 0 DEADHO C[C@@H](NC(=O)NCCCCC[NH+]1CCCC1)C1=CCN(C)CC1 ZINC000454775517 246140451 /nfs/dbraw/zinc/14/04/51/246140451.db2.gz PBYPIABQCJSMGI-MRXNPFEDSA-N 1 3 322.497 2.202 20 0 DEADHO C[C@@H](NC(=O)N1CC[C@@]2(C1)CCCN(C)C2)C(C)(C)C[NH+](C)C ZINC000458533132 248359663 /nfs/dbraw/zinc/35/96/63/248359663.db2.gz XEBADBCPHQADTG-QAPCUYQASA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H]1CN(C)[C@@H](C)CN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000681492129 542156190 /nfs/dbraw/zinc/15/61/90/542156190.db2.gz OOXJHKVDMLLNSU-JKSUJKDBSA-N 1 3 305.466 2.151 20 0 DEADHO C[C@H](NC(=O)/C=C\CN(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492394588 249056081 /nfs/dbraw/zinc/05/60/81/249056081.db2.gz FUJYTKHSOWKJIA-BMCSGZOBSA-N 1 3 315.461 2.131 20 0 DEADHO C[C@H](NC(=O)/C=C\CN(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492394588 249056083 /nfs/dbraw/zinc/05/60/83/249056083.db2.gz FUJYTKHSOWKJIA-BMCSGZOBSA-N 1 3 315.461 2.131 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)C2CCN(C3CC3)CC2)CC1 ZINC000494248865 249484824 /nfs/dbraw/zinc/48/48/24/249484824.db2.gz VOVNCYGCANOSCJ-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CC[NH+]1CCC(CNC(=O)[C@@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000316593331 291698803 /nfs/dbraw/zinc/69/88/03/291698803.db2.gz OLKIMZPEESMPQT-WMLDXEAASA-N 1 3 303.450 2.171 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)[C@H](N)Cc1ccccc1)CC(C)C ZINC000164405913 284821845 /nfs/dbraw/zinc/82/18/45/284821845.db2.gz CTWRPSSUZUXLOM-ZWKOTPCHSA-N 1 3 319.493 2.429 20 0 DEADHO COCC[N@H+](C)CCCN[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000268844133 207011172 /nfs/dbraw/zinc/01/11/72/207011172.db2.gz VCAGXUAGUVDYHY-INIZCTEOSA-N 1 3 316.449 2.491 20 0 DEADHO COCC[N@@H+](C)CCCN[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000268844133 207011175 /nfs/dbraw/zinc/01/11/75/207011175.db2.gz VCAGXUAGUVDYHY-INIZCTEOSA-N 1 3 316.449 2.491 20 0 DEADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000066176281 184395026 /nfs/dbraw/zinc/39/50/26/184395026.db2.gz NSBVPYNHNJSRLW-OAHLLOKOSA-N 1 3 320.481 2.278 20 0 DEADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000066176281 184395027 /nfs/dbraw/zinc/39/50/27/184395027.db2.gz NSBVPYNHNJSRLW-OAHLLOKOSA-N 1 3 320.481 2.278 20 0 DEADHO CCC1(CC)[C@H]([NH2+]CCCCN2CCN(C)CC2)C[C@@H]1OC ZINC000537294994 284989114 /nfs/dbraw/zinc/98/91/14/284989114.db2.gz FRKYRJLBXCYYCD-SJORKVTESA-N 1 3 311.514 2.197 20 0 DEADHO CCc1cc(OC)ccc1C[NH2+]CCCCN1CCN(C)CC1 ZINC000558610969 291895932 /nfs/dbraw/zinc/89/59/32/291895932.db2.gz BVHNVYRTIIIHFR-UHFFFAOYSA-N 1 3 319.493 2.375 20 0 DEADHO CC[NH+](CC)CCCC1CCN([C@@H]2CCCN(C)C2=O)CC1 ZINC000542018308 285206152 /nfs/dbraw/zinc/20/61/52/285206152.db2.gz MWJANZXNZFQJBM-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)C(C)(F)F ZINC000339655353 285245683 /nfs/dbraw/zinc/24/56/83/285245683.db2.gz MFONOMRYVIZWST-ZIAGYGMSSA-N 1 3 319.440 2.152 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)C(C)(F)F ZINC000339655353 285245685 /nfs/dbraw/zinc/24/56/85/285245685.db2.gz MFONOMRYVIZWST-ZIAGYGMSSA-N 1 3 319.440 2.152 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000251544824 285258491 /nfs/dbraw/zinc/25/84/91/285258491.db2.gz GRILZBBAKPIECQ-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO Cc1ccc(C(=O)NCCN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000120915496 195264535 /nfs/dbraw/zinc/26/45/35/195264535.db2.gz ZMYYRYWEAZRNNR-YQQAZPJKSA-N 1 3 303.450 2.043 20 0 DEADHO Cc1ccc(C(=O)NCCN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000120915496 195264536 /nfs/dbraw/zinc/26/45/36/195264536.db2.gz ZMYYRYWEAZRNNR-YQQAZPJKSA-N 1 3 303.450 2.043 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001368657263 1148555443 /nfs/dbraw/zinc/55/54/43/1148555443.db2.gz MFVRYEHFVFASBT-FUHWJXTLSA-N 1 3 317.477 2.272 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000290116508 221428610 /nfs/dbraw/zinc/42/86/10/221428610.db2.gz YXZZYTPGJARQCB-IKGGRYGDSA-N 1 3 303.450 2.102 20 0 DEADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000684141502 542557029 /nfs/dbraw/zinc/55/70/29/542557029.db2.gz YOGVIGQERCMUEP-HOTGVXAUSA-N 1 3 324.513 2.279 20 0 DEADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000684138142 542556804 /nfs/dbraw/zinc/55/68/04/542556804.db2.gz JSLKDLQITBJSGB-HZPDHXFCSA-N 1 3 324.513 2.280 20 0 DEADHO COCCOc1ccc([C@H](C)N[C@@H](C)C[C@@H](C)[NH3+])cc1OC ZINC000422892514 533262834 /nfs/dbraw/zinc/26/28/34/533262834.db2.gz NECXAZORPFPSBL-RDBSUJKOSA-N 1 3 310.438 2.497 20 0 DEADHO C[C@@H]([NH2+]CC1(CN2CCOCC2)CCCCC1)[C@@H]1CCCCN1 ZINC000422853681 533359530 /nfs/dbraw/zinc/35/95/30/533359530.db2.gz SOXVSDQAIHDDDU-MSOLQXFVSA-N 1 3 323.525 2.389 20 0 DEADHO C[C@@H](NCC1(CN2CCOCC2)CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000422853681 533359532 /nfs/dbraw/zinc/35/95/32/533359532.db2.gz SOXVSDQAIHDDDU-MSOLQXFVSA-N 1 3 323.525 2.389 20 0 DEADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H](N)c1ccccc1 ZINC000418423170 533390023 /nfs/dbraw/zinc/39/00/23/533390023.db2.gz FJGYXQIWZWOMDE-YOEHRIQHSA-N 1 3 318.465 2.058 20 0 DEADHO COC(=O)COc1ccc(CN2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1 ZINC000422565320 533558082 /nfs/dbraw/zinc/55/80/82/533558082.db2.gz YIPHMULHEDNXDH-YCPHGPKFSA-N 1 3 320.433 2.044 20 0 DEADHO C[NH+](C)CCOc1ccc(CN2CC([C@H]3CCOC3)C2)cc1 ZINC000684415399 542603565 /nfs/dbraw/zinc/60/35/65/542603565.db2.gz KMXJWDOIJCBRGX-INIZCTEOSA-N 1 3 304.434 2.095 20 0 DEADHO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C1 ZINC000684392721 542599232 /nfs/dbraw/zinc/59/92/32/542599232.db2.gz PMXPRIQRFQOMED-CVEARBPZSA-N 1 3 307.438 2.069 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C[C@H](N)c2ccccc2)C1 ZINC000119582267 132134271 /nfs/dbraw/zinc/13/42/71/132134271.db2.gz BOWRMGLQEBJADC-RDJZCZTQSA-N 1 3 303.450 2.313 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C[C@H](N)c2ccccc2)C1 ZINC000119582267 132134273 /nfs/dbraw/zinc/13/42/73/132134273.db2.gz BOWRMGLQEBJADC-RDJZCZTQSA-N 1 3 303.450 2.313 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+][C@H](CO)C2CCCC2)cc1 ZINC000685633159 542745504 /nfs/dbraw/zinc/74/55/04/542745504.db2.gz ZOBNLHZUTGLRQE-GOSISDBHSA-N 1 3 306.450 2.268 20 0 DEADHO C[C@@H]1CCC[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)[C@H]1C ZINC000414200326 296485518 /nfs/dbraw/zinc/48/55/18/296485518.db2.gz RTJNISRPBKSNMG-SQNIBIBYSA-N 1 3 323.525 2.197 20 0 DEADHO COc1cc2c(cc1CN(C)CC1CC[NH+](C)CC1)OCO2 ZINC000355354814 133020539 /nfs/dbraw/zinc/02/05/39/133020539.db2.gz ISIWAWAEDAGAPX-UHFFFAOYSA-N 1 3 306.406 2.198 20 0 DEADHO CC(C)[NH+](CCN(C)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)C(C)C ZINC000355960592 133057839 /nfs/dbraw/zinc/05/78/39/133057839.db2.gz LAKXGFJIABCTCN-DOTOQJQBSA-N 1 3 324.513 2.229 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NCCN1CCC[C@@H](C)C1 ZINC000357610251 133088013 /nfs/dbraw/zinc/08/80/13/133088013.db2.gz SMYHJGNIHQCNST-CVEARBPZSA-N 1 3 312.502 2.138 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NCCN1CCC[C@@H](C)C1 ZINC000357610251 133088014 /nfs/dbraw/zinc/08/80/14/133088014.db2.gz SMYHJGNIHQCNST-CVEARBPZSA-N 1 3 312.502 2.138 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@H]1CCCCN1CC ZINC000357815603 133102042 /nfs/dbraw/zinc/10/20/42/133102042.db2.gz YIYJRJSKXBCESP-JKSUJKDBSA-N 1 3 312.502 2.280 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@H]1CCCCN1CC ZINC000357815603 133102043 /nfs/dbraw/zinc/10/20/43/133102043.db2.gz YIYJRJSKXBCESP-JKSUJKDBSA-N 1 3 312.502 2.280 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000358093255 133120682 /nfs/dbraw/zinc/12/06/82/133120682.db2.gz LOZDSIKYKFZHSY-LSDHHAIUSA-N 1 3 312.502 2.135 20 0 DEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000358093255 133120683 /nfs/dbraw/zinc/12/06/83/133120683.db2.gz LOZDSIKYKFZHSY-LSDHHAIUSA-N 1 3 312.502 2.135 20 0 DEADHO COc1ccc(CNC[C@]2(O)CC[N@H+](C)C2)c2ccccc12 ZINC000358127889 133123005 /nfs/dbraw/zinc/12/30/05/133123005.db2.gz CLRMTOHETCUOHW-GOSISDBHSA-N 1 3 300.402 2.005 20 0 DEADHO COc1ccc(CNC[C@]2(O)CC[N@@H+](C)C2)c2ccccc12 ZINC000358127889 133123006 /nfs/dbraw/zinc/12/30/06/133123006.db2.gz CLRMTOHETCUOHW-GOSISDBHSA-N 1 3 300.402 2.005 20 0 DEADHO C[NH+](C)CC1CCN([C@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000359615727 133134974 /nfs/dbraw/zinc/13/49/74/133134974.db2.gz XNLLSXYQENQYDS-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000360220219 133169359 /nfs/dbraw/zinc/16/93/59/133169359.db2.gz YJPVUDFWCSSITM-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000562962736 292019923 /nfs/dbraw/zinc/01/99/23/292019923.db2.gz REJODZOHMRNWDZ-GDAAHCPNSA-N 1 3 317.477 2.135 20 0 DEADHO COC(=O)CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000368581151 133279220 /nfs/dbraw/zinc/27/92/20/133279220.db2.gz ASAMSWLAUICSLH-DLBZAZTESA-N 1 3 302.418 2.003 20 0 DEADHO COC(=O)CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000368581151 133279221 /nfs/dbraw/zinc/27/92/21/133279221.db2.gz ASAMSWLAUICSLH-DLBZAZTESA-N 1 3 302.418 2.003 20 0 DEADHO O=C(CC[NH2+]C[C@H]1CCN(C2CC2)C1)Nc1cc(F)cc(F)c1 ZINC000562988252 292022388 /nfs/dbraw/zinc/02/23/88/292022388.db2.gz NEQVKIYXRBECJB-GFCCVEGCSA-N 1 3 323.387 2.367 20 0 DEADHO O=C(CCNC[C@H]1CC[N@@H+](C2CC2)C1)Nc1cc(F)cc(F)c1 ZINC000562988252 292022389 /nfs/dbraw/zinc/02/23/89/292022389.db2.gz NEQVKIYXRBECJB-GFCCVEGCSA-N 1 3 323.387 2.367 20 0 DEADHO O=C(CCNC[C@H]1CC[N@H+](C2CC2)C1)Nc1cc(F)cc(F)c1 ZINC000562988252 292022390 /nfs/dbraw/zinc/02/23/90/292022390.db2.gz NEQVKIYXRBECJB-GFCCVEGCSA-N 1 3 323.387 2.367 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)C[C@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000372486469 133355915 /nfs/dbraw/zinc/35/59/15/133355915.db2.gz WVPSZXJUGBPXPL-FUHWJXTLSA-N 1 3 317.477 2.494 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@H]2CC[NH2+][C@H]2C)CC1 ZINC000563072515 292029594 /nfs/dbraw/zinc/02/95/94/292029594.db2.gz QCVMNZOZWIAUQI-DAYGRLMNSA-N 1 3 315.461 2.326 20 0 DEADHO CC[NH+](CC)CCOC1CCN(Cc2cnn(C)c2C)CC1 ZINC000354025729 146665380 /nfs/dbraw/zinc/66/53/80/146665380.db2.gz IMNRUZQMFFBKSL-UHFFFAOYSA-N 1 3 308.470 2.051 20 0 DEADHO Cc1cccc(OC[C@@H](O)C[NH2+]CC(C)(C)CN2CCCC2)c1 ZINC000563617897 292066498 /nfs/dbraw/zinc/06/64/98/292066498.db2.gz JAXKJDJVKKHRRK-KRWDZBQOSA-N 1 3 320.477 2.446 20 0 DEADHO C[C@@H](C[NH2+]Cc1ccc(Cl)cc1-n1cncn1)CN(C)C ZINC000291670621 404473083 /nfs/dbraw/zinc/47/30/83/404473083.db2.gz GJVDJELAOAYZRF-LBPRGKRZSA-N 1 3 307.829 2.208 20 0 DEADHO CC(C)[C@@H](N)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000564571998 292100193 /nfs/dbraw/zinc/10/01/93/292100193.db2.gz LPYRQVFBPYIIHQ-NVXWUHKLSA-N 1 3 309.498 2.473 20 0 DEADHO CC(C)[C@@H](N)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000564571998 292100194 /nfs/dbraw/zinc/10/01/94/292100194.db2.gz LPYRQVFBPYIIHQ-NVXWUHKLSA-N 1 3 309.498 2.473 20 0 DEADHO CCN1CC[C@@H]([NH2+]Cc2cccc(CS(C)(=O)=O)c2)[C@@H](C)C1 ZINC000246894123 145118442 /nfs/dbraw/zinc/11/84/42/145118442.db2.gz DZUPEIAXDZKYER-WMLDXEAASA-N 1 3 324.490 2.051 20 0 DEADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)CC1 ZINC000247495487 145139167 /nfs/dbraw/zinc/13/91/67/145139167.db2.gz MNWHXULZRUMDCV-JKSUJKDBSA-N 1 3 324.513 2.279 20 0 DEADHO CC[C@H](C)[C@H](C)[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000249281541 145181446 /nfs/dbraw/zinc/18/14/46/145181446.db2.gz GSPUXTJQLNESNY-YQQAZPJKSA-N 1 3 305.466 2.430 20 0 DEADHO C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261532508 145205808 /nfs/dbraw/zinc/20/58/08/145205808.db2.gz AKOYCHHAXTVUTQ-HYVNUMGLSA-N 1 3 317.477 2.387 20 0 DEADHO C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261532508 145205809 /nfs/dbraw/zinc/20/58/09/145205809.db2.gz AKOYCHHAXTVUTQ-HYVNUMGLSA-N 1 3 317.477 2.387 20 0 DEADHO CN(C)CCN(Cc1ccccc1)C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000261548630 145207018 /nfs/dbraw/zinc/20/70/18/145207018.db2.gz NRJXQKGEZIHLAD-QZTJIDSGSA-N 1 3 317.477 2.484 20 0 DEADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000261831557 145232167 /nfs/dbraw/zinc/23/21/67/145232167.db2.gz OJASUYLWDCQZJO-DOTOQJQBSA-N 1 3 315.461 2.094 20 0 DEADHO Cc1cc(C)cc(CN2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000262072942 145258995 /nfs/dbraw/zinc/25/89/95/145258995.db2.gz SHEZUNYVKLPNGD-KRWDZBQOSA-N 1 3 303.450 2.123 20 0 DEADHO O=C(CC[NH2+]C1CCN(c2ccncc2)CC1)N1CCCCC1 ZINC000322589043 145378949 /nfs/dbraw/zinc/37/89/49/145378949.db2.gz VZPHMIYELUCXHJ-UHFFFAOYSA-N 1 3 316.449 2.043 20 0 DEADHO C[C@@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1CCCO1 ZINC000346559628 146101855 /nfs/dbraw/zinc/10/18/55/146101855.db2.gz MHLJQDNSBDYROQ-BEFAXECRSA-N 1 3 318.461 2.300 20 0 DEADHO C[C@@H](NC1CC1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000346636306 146114464 /nfs/dbraw/zinc/11/44/64/146114464.db2.gz PCOQCNNOLNWMJT-OAHLLOKOSA-N 1 3 307.482 2.432 20 0 DEADHO Cc1cccc(NC(=O)[C@H]2CCCN(C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000346842613 146152228 /nfs/dbraw/zinc/15/22/28/146152228.db2.gz IILQCOLINJVQHU-CVEARBPZSA-N 1 3 316.449 2.040 20 0 DEADHO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](C[C@@H]3CCCNC3)C2)n1 ZINC000346842613 146152230 /nfs/dbraw/zinc/15/22/30/146152230.db2.gz IILQCOLINJVQHU-CVEARBPZSA-N 1 3 316.449 2.040 20 0 DEADHO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](C[C@@H]3CCCNC3)C2)n1 ZINC000346842613 146152231 /nfs/dbraw/zinc/15/22/31/146152231.db2.gz IILQCOLINJVQHU-CVEARBPZSA-N 1 3 316.449 2.040 20 0 DEADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccccc3N3CCOCC3)C[C@H]21 ZINC000346847466 146152843 /nfs/dbraw/zinc/15/28/43/146152843.db2.gz MPUFCYLYGHZWGZ-CGTJXYLNSA-N 1 3 315.461 2.082 20 0 DEADHO COC(=O)[C@H](C)Oc1ccc(CN2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000347094308 146193029 /nfs/dbraw/zinc/19/30/29/146193029.db2.gz HHNNJFILHLPITH-KBPBESRZSA-N 1 3 320.433 2.186 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000348642073 146294826 /nfs/dbraw/zinc/29/48/26/146294826.db2.gz NBUODCFLMNWUDD-BRWVUGGUSA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000348642073 146294829 /nfs/dbraw/zinc/29/48/29/146294829.db2.gz NBUODCFLMNWUDD-BRWVUGGUSA-N 1 3 324.513 2.280 20 0 DEADHO CC[C@@H]1C[C@@H](CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CCO1 ZINC000357003659 147020214 /nfs/dbraw/zinc/02/02/14/147020214.db2.gz ZQLARMLJKILJTN-IPMKNSEASA-N 1 3 323.525 2.294 20 0 DEADHO CC[C@@H]1C[C@@H](CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CCO1 ZINC000357003659 147020216 /nfs/dbraw/zinc/02/02/16/147020216.db2.gz ZQLARMLJKILJTN-IPMKNSEASA-N 1 3 323.525 2.294 20 0 DEADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2ncc(C)cn2)[C@@H](C)C1 ZINC000358360047 147119638 /nfs/dbraw/zinc/11/96/38/147119638.db2.gz VDPPCGQKRHPRPB-DLBZAZTESA-N 1 3 320.481 2.054 20 0 DEADHO CCOCCC[N@H+]1CC[C@@H](NCCc2ncc(C)cn2)[C@@H](C)C1 ZINC000358360047 147119639 /nfs/dbraw/zinc/11/96/39/147119639.db2.gz VDPPCGQKRHPRPB-DLBZAZTESA-N 1 3 320.481 2.054 20 0 DEADHO O=C1[C@H](N2CCC3(C2)CC[NH2+]CC3)CCCN1c1ccccc1 ZINC000358518898 147149306 /nfs/dbraw/zinc/14/93/06/147149306.db2.gz RTPZSDAOGIXNDI-QGZVFWFLSA-N 1 3 313.445 2.258 20 0 DEADHO C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358520456 147149893 /nfs/dbraw/zinc/14/98/93/147149893.db2.gz UWURKTVKVIOJHG-INIZCTEOSA-N 1 3 315.461 2.109 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](C)CN(C)C ZINC000358533320 147152383 /nfs/dbraw/zinc/15/23/83/147152383.db2.gz UXCOFSGRNGLFPQ-PMPSAXMXSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000358854992 147219064 /nfs/dbraw/zinc/21/90/64/147219064.db2.gz KSLZALJAHFOOPO-YOEHRIQHSA-N 1 3 321.440 2.249 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000358854992 147219068 /nfs/dbraw/zinc/21/90/68/147219068.db2.gz KSLZALJAHFOOPO-YOEHRIQHSA-N 1 3 321.440 2.249 20 0 DEADHO c1ccc(OCCN2CCN(CCC3CC[NH2+]CC3)CC2)cc1 ZINC000359221784 147284795 /nfs/dbraw/zinc/28/47/95/147284795.db2.gz XZSRJGVXEZKZTD-UHFFFAOYSA-N 1 3 317.477 2.073 20 0 DEADHO C[NH+](C)C1(CNC(=O)N[C@H]2CCN(C3CC3)C2)CCCCCC1 ZINC000359226687 147285732 /nfs/dbraw/zinc/28/57/32/147285732.db2.gz KQJWBQVYYTWYAT-HNNXBMFYSA-N 1 3 322.497 2.177 20 0 DEADHO COc1ccccc1[C@H](CN[C@H]1CCC[C@H]1[NH3+])N1CCCC1 ZINC000565475154 292164089 /nfs/dbraw/zinc/16/40/89/292164089.db2.gz XDLUMGBFIRHYQC-IKGGRYGDSA-N 1 3 303.450 2.302 20 0 DEADHO COc1ccccc1[C@H](C[NH2+][C@H]1CCC[C@H]1N)N1CCCC1 ZINC000565475154 292164090 /nfs/dbraw/zinc/16/40/90/292164090.db2.gz XDLUMGBFIRHYQC-IKGGRYGDSA-N 1 3 303.450 2.302 20 0 DEADHO Cc1cc(C)c2ncc(C(=O)N[C@H](C)CCC[NH3+])c(O)c2c1 ZINC000565715992 292177388 /nfs/dbraw/zinc/17/73/88/292177388.db2.gz XVNUFZPSWSKDAO-GFCCVEGCSA-N 1 3 301.390 2.002 20 0 DEADHO C[N@@H+]1CCC[C@H](CCNC(=O)NCc2noc3c2CCCC3)C1 ZINC000565701211 292176666 /nfs/dbraw/zinc/17/66/66/292176666.db2.gz AWMQPEBFMOYRPX-CYBMUJFWSA-N 1 3 320.437 2.085 20 0 DEADHO C[N@H+]1CCC[C@H](CCNC(=O)NCc2noc3c2CCCC3)C1 ZINC000565701211 292176667 /nfs/dbraw/zinc/17/66/67/292176667.db2.gz AWMQPEBFMOYRPX-CYBMUJFWSA-N 1 3 320.437 2.085 20 0 DEADHO Cc1ccccc1CNC(=O)[C@H](C)N1CCC(CC[NH3+])CC1 ZINC000565837603 292185995 /nfs/dbraw/zinc/18/59/95/292185995.db2.gz CXCBRFACGFIGHY-HNNXBMFYSA-N 1 3 303.450 2.061 20 0 DEADHO CC(C)C[C@H]1CCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000074995356 401746212 /nfs/dbraw/zinc/74/62/12/401746212.db2.gz UGMCHFKBJGHORZ-MRXNPFEDSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)C[NH+]1CCCCC1 ZINC000126766830 401707250 /nfs/dbraw/zinc/70/72/50/401707250.db2.gz BSCYFRHEZSXHOY-BZUAXINKSA-N 1 3 322.497 2.033 20 0 DEADHO CC[N@@H+]1CC[C@@H](NCCC(=O)NCc2ccccc2)[C@H](C)C1 ZINC000129216608 401800936 /nfs/dbraw/zinc/80/09/36/401800936.db2.gz IBXRCAIUUAILHR-NVXWUHKLSA-N 1 3 303.450 2.013 20 0 DEADHO CC[N@H+]1CC[C@@H](NCCC(=O)NCc2ccccc2)[C@H](C)C1 ZINC000129216608 401800938 /nfs/dbraw/zinc/80/09/38/401800938.db2.gz IBXRCAIUUAILHR-NVXWUHKLSA-N 1 3 303.450 2.013 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC1CCN(CC)CC1 ZINC000113580880 401782693 /nfs/dbraw/zinc/78/26/93/401782693.db2.gz OBLCXSCKFVJDQK-INIZCTEOSA-N 1 3 310.486 2.034 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC1CCN(CC)CC1 ZINC000113580880 401782694 /nfs/dbraw/zinc/78/26/94/401782694.db2.gz OBLCXSCKFVJDQK-INIZCTEOSA-N 1 3 310.486 2.034 20 0 DEADHO O=C(C[C@@H]1CC[NH2+]C1)NCc1ccccc1CN1CCCCC1 ZINC000130331274 401827563 /nfs/dbraw/zinc/82/75/63/401827563.db2.gz QSQOFWDBSQOWMU-INIZCTEOSA-N 1 3 315.461 2.288 20 0 DEADHO Cc1ccccc1CN1CCC(NC(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC000130380165 401829193 /nfs/dbraw/zinc/82/91/93/401829193.db2.gz WBCRNUSCLOFGKA-INIZCTEOSA-N 1 3 315.461 2.075 20 0 DEADHO CN(C[C@H]1CCCN(C)C1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000115781677 401837102 /nfs/dbraw/zinc/83/71/02/401837102.db2.gz SKKKLHHGAMPUAT-AWEZNQCLSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H](CNC(=O)N(C)CC1CC[NH+](C)CC1)N1CCC(C)CC1 ZINC000078441857 401851530 /nfs/dbraw/zinc/85/15/30/401851530.db2.gz AITBPHSIMWGEFP-INIZCTEOSA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)[C@@H](CNC(=O)NC1CCN(C)CC1)[NH+]1CCC(C)CC1 ZINC000078511713 401853621 /nfs/dbraw/zinc/85/36/21/401853621.db2.gz PQIABFVFYUCQCB-QGZVFWFLSA-N 1 3 324.513 2.136 20 0 DEADHO COC[C@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)C(C)C ZINC000132768255 401873736 /nfs/dbraw/zinc/87/37/36/401873736.db2.gz MCVHRXSPOCOBLM-IBGZPJMESA-N 1 3 320.477 2.404 20 0 DEADHO CC[C@]1(C(=O)NC[C@H](C)N(C)Cc2ccccc2)CCC[NH2+]1 ZINC000134603118 401908108 /nfs/dbraw/zinc/90/81/08/401908108.db2.gz QGCUSKMVZYBNQH-MAUKXSAKSA-N 1 3 303.450 2.155 20 0 DEADHO C[C@]1(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CCC[NH2+]C1 ZINC000119866468 401969421 /nfs/dbraw/zinc/96/94/21/401969421.db2.gz FQAKLEPRVYNFDM-YOEHRIQHSA-N 1 3 321.490 2.391 20 0 DEADHO COC(CN1CCC(C[N@H+](C)Cc2ccccc2)CC1)OC ZINC000136757204 401973890 /nfs/dbraw/zinc/97/38/90/401973890.db2.gz FYLRVYDQFJRISO-UHFFFAOYSA-N 1 3 306.450 2.449 20 0 DEADHO COC(CN1CCC(C[N@@H+](C)Cc2ccccc2)CC1)OC ZINC000136757204 401973892 /nfs/dbraw/zinc/97/38/92/401973892.db2.gz FYLRVYDQFJRISO-UHFFFAOYSA-N 1 3 306.450 2.449 20 0 DEADHO CC1CCN(CC(=O)N(CC[NH+](C)C)Cc2ccccc2)CC1 ZINC000137476904 401983879 /nfs/dbraw/zinc/98/38/79/401983879.db2.gz NRBAJKOSCVCMOO-UHFFFAOYSA-N 1 3 317.477 2.309 20 0 DEADHO CCN(CC)CC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064520982 402120139 /nfs/dbraw/zinc/12/01/39/402120139.db2.gz JVKIZFQTTKTQKI-OAHLLOKOSA-N 1 3 323.506 2.418 20 0 DEADHO CCN(CC)CC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064520982 402120140 /nfs/dbraw/zinc/12/01/40/402120140.db2.gz JVKIZFQTTKTQKI-OAHLLOKOSA-N 1 3 323.506 2.418 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2)C1)N(C)C ZINC000152336635 402090591 /nfs/dbraw/zinc/09/05/91/402090591.db2.gz DIWVJPUAHZRINV-DLBZAZTESA-N 1 3 303.450 2.107 20 0 DEADHO CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000153452143 402146486 /nfs/dbraw/zinc/14/64/86/402146486.db2.gz OYEVWXYAVORDPS-CVEARBPZSA-N 1 3 324.513 2.375 20 0 DEADHO C[C@H](CNC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)C[NH+]1CCCCC1 ZINC000101649188 402152645 /nfs/dbraw/zinc/15/26/45/402152645.db2.gz ZWBMENPYTPUICQ-NCOADZHNSA-N 1 3 309.498 2.486 20 0 DEADHO CCN(CC)CC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000103132263 402179127 /nfs/dbraw/zinc/17/91/27/402179127.db2.gz SCLQLROVFLLGLL-SFHVURJKSA-N 1 3 317.477 2.009 20 0 DEADHO CCN(CC)CC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000103132263 402179130 /nfs/dbraw/zinc/17/91/30/402179130.db2.gz SCLQLROVFLLGLL-SFHVURJKSA-N 1 3 317.477 2.009 20 0 DEADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2cncc(F)c2)CC1 ZINC000154522466 402216209 /nfs/dbraw/zinc/21/62/09/402216209.db2.gz XDUNINILKFIJSO-HNNXBMFYSA-N 1 3 308.445 2.289 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000125486565 402235500 /nfs/dbraw/zinc/23/55/00/402235500.db2.gz KBELVHFPMZUHHG-CVEARBPZSA-N 1 3 324.513 2.423 20 0 DEADHO CC[NH+](CC)CCCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000125543431 402238442 /nfs/dbraw/zinc/23/84/42/402238442.db2.gz CLMIJYPBCQINRH-KRWDZBQOSA-N 1 3 320.481 2.320 20 0 DEADHO CC(C)[N@H+](C)CC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000155352325 402253792 /nfs/dbraw/zinc/25/37/92/402253792.db2.gz BVOYUZPNKMIQPZ-OAHLLOKOSA-N 1 3 318.465 2.063 20 0 DEADHO CC(C)[N@@H+](C)CC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000155352325 402253794 /nfs/dbraw/zinc/25/37/94/402253794.db2.gz BVOYUZPNKMIQPZ-OAHLLOKOSA-N 1 3 318.465 2.063 20 0 DEADHO C[C@@H](CNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)N(C)C1CC1 ZINC000105126338 402205742 /nfs/dbraw/zinc/20/57/42/402205742.db2.gz XJOKXFYUUIRSLP-WMLDXEAASA-N 1 3 324.513 2.279 20 0 DEADHO CC1CCC(N2CCN(C(=O)CCC3CC[NH2+]CC3)CC2)CC1 ZINC000156007703 402273766 /nfs/dbraw/zinc/27/37/66/402273766.db2.gz HSCMYABPLGYWNA-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)CN(CCN(C)C)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176558993 402319770 /nfs/dbraw/zinc/31/97/70/402319770.db2.gz KTMDEEAVAZAGDA-HOTGVXAUSA-N 1 3 312.502 2.088 20 0 DEADHO c1ccc(CCN2CC[C@@H](C[NH2+]CC3=CCCOC3)C2)cc1 ZINC000176834727 402341542 /nfs/dbraw/zinc/34/15/42/402341542.db2.gz OCYIQMZUHIGPOY-SFHVURJKSA-N 1 3 300.446 2.487 20 0 DEADHO c1ccc(CC[N@@H+]2CC[C@@H](CNCC3=CCCOC3)C2)cc1 ZINC000176834727 402341543 /nfs/dbraw/zinc/34/15/43/402341543.db2.gz OCYIQMZUHIGPOY-SFHVURJKSA-N 1 3 300.446 2.487 20 0 DEADHO c1ccc(CC[N@H+]2CC[C@@H](CNCC3=CCCOC3)C2)cc1 ZINC000176834727 402341546 /nfs/dbraw/zinc/34/15/46/402341546.db2.gz OCYIQMZUHIGPOY-SFHVURJKSA-N 1 3 300.446 2.487 20 0 DEADHO CC[C@H](N)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000236915532 402387927 /nfs/dbraw/zinc/38/79/27/402387927.db2.gz SJTAHFUBCWRBJY-KRWDZBQOSA-N 1 3 303.450 2.416 20 0 DEADHO C[C@@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC(C)CC1 ZINC000236647631 402371168 /nfs/dbraw/zinc/37/11/68/402371168.db2.gz NLAIKZGGANSHSV-XYTVBORESA-N 1 3 307.482 2.144 20 0 DEADHO CCC(CC)(C[NH3+])C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000236684410 402373751 /nfs/dbraw/zinc/37/37/51/402373751.db2.gz ZTTDREKWKANSOL-UHFFFAOYSA-N 1 3 321.465 2.008 20 0 DEADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CNC2CC2)CC1 ZINC000237408073 402407000 /nfs/dbraw/zinc/40/70/00/402407000.db2.gz JOVJURIJNFHUDL-CQSZACIVSA-N 1 3 301.434 2.080 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)C(C)(C)C[NH3+])CC1 ZINC000237468267 402408839 /nfs/dbraw/zinc/40/88/39/402408839.db2.gz BUWCIOWGTJHNCA-AWEZNQCLSA-N 1 3 303.450 2.313 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000245201620 402452257 /nfs/dbraw/zinc/45/22/57/402452257.db2.gz KVJMSEARNKVUNX-XAJHFOFHSA-N 1 3 309.498 2.484 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000245201620 402452261 /nfs/dbraw/zinc/45/22/61/402452261.db2.gz KVJMSEARNKVUNX-XAJHFOFHSA-N 1 3 309.498 2.484 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)C2(C[NH3+])CCCC2)N(C)C)cc1 ZINC000236957908 402389555 /nfs/dbraw/zinc/38/95/55/402389555.db2.gz DBTIPMKVAIIQFY-QGZVFWFLSA-N 1 3 317.477 2.487 20 0 DEADHO CCN1CCC[C@@H](NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000246113389 402511066 /nfs/dbraw/zinc/51/10/66/402511066.db2.gz HWZGUDJKDNIHJJ-SJORKVTESA-N 1 3 322.497 2.034 20 0 DEADHO CCN1CCC[C@@H](NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000246113389 402511069 /nfs/dbraw/zinc/51/10/69/402511069.db2.gz HWZGUDJKDNIHJJ-SJORKVTESA-N 1 3 322.497 2.034 20 0 DEADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000245559816 402470598 /nfs/dbraw/zinc/47/05/98/402470598.db2.gz BQNXAUSATYVQDZ-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000245559816 402470600 /nfs/dbraw/zinc/47/06/00/402470600.db2.gz BQNXAUSATYVQDZ-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H]1CN(C)CC[C@@H]1[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000165311252 402475023 /nfs/dbraw/zinc/47/50/23/402475023.db2.gz KUSFTGGCAXNVCU-IHPCNDPISA-N 1 3 315.505 2.481 20 0 DEADHO Cc1ccc([C@H](CNC(=O)C2([NH3+])CCCCC2)N(C)C)cc1 ZINC000165628753 402477115 /nfs/dbraw/zinc/47/71/15/402477115.db2.gz SRBZXEXAZPMPAJ-INIZCTEOSA-N 1 3 303.450 2.376 20 0 DEADHO C[NH2+]C[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000167544972 402492497 /nfs/dbraw/zinc/49/24/97/402492497.db2.gz UPSCXGJTARAMAC-UXLLHSPISA-N 1 3 303.450 2.011 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000169118464 402499976 /nfs/dbraw/zinc/49/99/76/402499976.db2.gz DMIMMEUDAZPVCW-JQHSSLGASA-N 1 3 315.461 2.013 20 0 DEADHO CCO[C@@H]1C[C@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)C12CCC2 ZINC000245964224 402500656 /nfs/dbraw/zinc/50/06/56/402500656.db2.gz YSHBEHYTIYWEKY-BPQIPLTHSA-N 1 3 322.493 2.425 20 0 DEADHO C[C@@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)C1CCC1 ZINC000178529902 402508073 /nfs/dbraw/zinc/50/80/73/402508073.db2.gz DASWGIHOEODWRZ-CQSZACIVSA-N 1 3 303.450 2.256 20 0 DEADHO NC[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000178801553 402541534 /nfs/dbraw/zinc/54/15/34/402541534.db2.gz HNEMKGGALSPVHE-ROUUACIJSA-N 1 3 315.461 2.110 20 0 DEADHO NC[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000178801553 402541537 /nfs/dbraw/zinc/54/15/37/402541537.db2.gz HNEMKGGALSPVHE-ROUUACIJSA-N 1 3 315.461 2.110 20 0 DEADHO CC[N@@H+]1CC[C@@H](NCCC(=O)NCc2ccccc2)[C@@H](C)C1 ZINC000246948059 402550212 /nfs/dbraw/zinc/55/02/12/402550212.db2.gz IBXRCAIUUAILHR-DOTOQJQBSA-N 1 3 303.450 2.013 20 0 DEADHO CC[N@H+]1CC[C@@H](NCCC(=O)NCc2ccccc2)[C@@H](C)C1 ZINC000246948059 402550216 /nfs/dbraw/zinc/55/02/16/402550216.db2.gz IBXRCAIUUAILHR-DOTOQJQBSA-N 1 3 303.450 2.013 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CN1C1CC1 ZINC000247067770 402555430 /nfs/dbraw/zinc/55/54/30/402555430.db2.gz WPZRBTOGPHSOLX-OWCLPIDISA-N 1 3 319.493 2.382 20 0 DEADHO CCCN(C(=O)c1cccc(CN2CCCC2)c1)[C@@H]1CC[NH2+]C1 ZINC000178923800 402555426 /nfs/dbraw/zinc/55/54/26/402555426.db2.gz OKTPEGQKLUWFMU-GOSISDBHSA-N 1 3 315.461 2.497 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CN1C1CC1 ZINC000247067770 402555434 /nfs/dbraw/zinc/55/54/34/402555434.db2.gz WPZRBTOGPHSOLX-OWCLPIDISA-N 1 3 319.493 2.382 20 0 DEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@H]2CCCN(C)C2)C1 ZINC000247259019 402561780 /nfs/dbraw/zinc/56/17/80/402561780.db2.gz WWLPFFDVVTUDOF-DLBZAZTESA-N 1 3 324.513 2.140 20 0 DEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H]2CCCN(C)C2)C1 ZINC000247259019 402561782 /nfs/dbraw/zinc/56/17/82/402561782.db2.gz WWLPFFDVVTUDOF-DLBZAZTESA-N 1 3 324.513 2.140 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCCCN2CC)C1 ZINC000246383770 402527927 /nfs/dbraw/zinc/52/79/27/402527927.db2.gz QSNIXWZVQNSWMG-DLBZAZTESA-N 1 3 324.513 2.234 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCCCN2CC)C1 ZINC000246383770 402527931 /nfs/dbraw/zinc/52/79/31/402527931.db2.gz QSNIXWZVQNSWMG-DLBZAZTESA-N 1 3 324.513 2.234 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC000246412555 402530021 /nfs/dbraw/zinc/53/00/21/402530021.db2.gz MDADKSMUVDMNIF-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC000246412555 402530022 /nfs/dbraw/zinc/53/00/22/402530022.db2.gz MDADKSMUVDMNIF-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CN(C(=O)CC(C)(C)[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000178716992 402530188 /nfs/dbraw/zinc/53/01/88/402530188.db2.gz ILEXOALHOLEVIG-MRXNPFEDSA-N 1 3 303.450 2.237 20 0 DEADHO CC(C)([NH3+])CC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000178733687 402532002 /nfs/dbraw/zinc/53/20/02/402532002.db2.gz SPDGNYLQCBRLAP-ZDUSSCGKSA-N 1 3 309.479 2.204 20 0 DEADHO C[NH2+]CCCC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000178769180 402537085 /nfs/dbraw/zinc/53/70/85/402537085.db2.gz XLDHDGKMYWRLRM-OAHLLOKOSA-N 1 3 303.450 2.328 20 0 DEADHO CC[N@@H+]1CC[C@H](NCCN2CCc3ccccc3C2=O)[C@@H](C)C1 ZINC000248842643 402611248 /nfs/dbraw/zinc/61/12/48/402611248.db2.gz OGQKYJBEBJQVQB-YJBOKZPZSA-N 1 3 315.461 2.005 20 0 DEADHO CC[N@H+]1CC[C@H](NCCN2CCc3ccccc3C2=O)[C@@H](C)C1 ZINC000248842643 402611250 /nfs/dbraw/zinc/61/12/50/402611250.db2.gz OGQKYJBEBJQVQB-YJBOKZPZSA-N 1 3 315.461 2.005 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CCOCC2)CCN1C ZINC000180740112 402624208 /nfs/dbraw/zinc/62/42/08/402624208.db2.gz VJDNGZPDQAETEX-SJORKVTESA-N 1 3 309.498 2.094 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NCCC[NH+]1CCCCC1 ZINC000171899089 402632369 /nfs/dbraw/zinc/63/23/69/402632369.db2.gz UQSOYIRQKJOSAF-MRXNPFEDSA-N 1 3 310.486 2.036 20 0 DEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000251736159 402649521 /nfs/dbraw/zinc/64/95/21/402649521.db2.gz PQZAIAYRFYXJNN-BRWVUGGUSA-N 1 3 324.513 2.375 20 0 DEADHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)N2CCc3ccccc32)C1 ZINC000173917136 402718677 /nfs/dbraw/zinc/71/86/77/402718677.db2.gz XFMXCLSOOCTMRT-INIZCTEOSA-N 1 3 315.461 2.239 20 0 DEADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)N2CCc3ccccc32)C1 ZINC000173917136 402718680 /nfs/dbraw/zinc/71/86/80/402718680.db2.gz XFMXCLSOOCTMRT-INIZCTEOSA-N 1 3 315.461 2.239 20 0 DEADHO CC(C)[C@H](N)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000182983219 402731204 /nfs/dbraw/zinc/73/12/04/402731204.db2.gz DGWOQGHBFPQIMC-KRWDZBQOSA-N 1 3 318.465 2.130 20 0 DEADHO NC[C@@H](NC(=O)CC[C@H]1CC[NH2+]C1)c1ccc2ccccc2c1 ZINC000262928184 402737298 /nfs/dbraw/zinc/73/72/98/402737298.db2.gz ZZJFVJMMYLWXBQ-KBXCAEBGSA-N 1 3 311.429 2.346 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)C[NH2+]CC2CC2)N2CCCC2)cc1 ZINC000263254429 402750997 /nfs/dbraw/zinc/75/09/97/402750997.db2.gz KIVDYYBKYCTCGD-GOSISDBHSA-N 1 3 315.461 2.248 20 0 DEADHO C[C@H](CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)N1CCC[C@H](C)C1 ZINC000262338747 402724392 /nfs/dbraw/zinc/72/43/92/402724392.db2.gz HROXPBZRSKIKNQ-UIBIWLFHSA-N 1 3 307.482 2.003 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000175590061 402819860 /nfs/dbraw/zinc/81/98/60/402819860.db2.gz QXANWKXMEOFVIJ-CYBMUJFWSA-N 1 3 315.417 2.176 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000175590061 402819861 /nfs/dbraw/zinc/81/98/61/402819861.db2.gz QXANWKXMEOFVIJ-CYBMUJFWSA-N 1 3 315.417 2.176 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000195139234 402833530 /nfs/dbraw/zinc/83/35/30/402833530.db2.gz QTTRUYVYQMSILH-PBHICJAKSA-N 1 3 303.450 2.272 20 0 DEADHO C[C@H](c1ccccc1)[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000195519159 402850360 /nfs/dbraw/zinc/85/03/60/402850360.db2.gz CHEYAGHUCZCBPZ-OAHLLOKOSA-N 1 3 303.450 2.137 20 0 DEADHO C[C@@H](CC(N)=O)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000267245508 403028728 /nfs/dbraw/zinc/02/87/28/403028728.db2.gz NFGRYZWYSJCZBD-ZDUSSCGKSA-N 1 3 323.868 2.406 20 0 DEADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280889757 403047536 /nfs/dbraw/zinc/04/75/36/403047536.db2.gz QAHSAYFJBYXKRT-QAPCUYQASA-N 1 3 301.434 2.385 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)N(C)C)cc1 ZINC000280948234 403053157 /nfs/dbraw/zinc/05/31/57/403053157.db2.gz XBFFZXFWSRUFFY-ZIFCJYIRSA-N 1 3 315.461 2.104 20 0 DEADHO C[C@H](CCO)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000268375249 403077973 /nfs/dbraw/zinc/07/79/73/403077973.db2.gz SUMNVZWPICBAFU-OAHLLOKOSA-N 1 3 305.466 2.078 20 0 DEADHO C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@H](c1ccccc1)N(C)C ZINC000274752501 403084570 /nfs/dbraw/zinc/08/45/70/403084570.db2.gz XINCYJBVWKQPMS-WMLDXEAASA-N 1 3 303.450 2.136 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000275554934 403105214 /nfs/dbraw/zinc/10/52/14/403105214.db2.gz AJLFPOMQDZCPFC-OAHLLOKOSA-N 1 3 318.465 2.206 20 0 DEADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCNC(=O)C1CC1 ZINC000268733319 403110854 /nfs/dbraw/zinc/11/08/54/403110854.db2.gz PDNRLTRXPZZJTP-QAPCUYQASA-N 1 3 315.461 2.013 20 0 DEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCNC(=O)C1CC1 ZINC000268733319 403110858 /nfs/dbraw/zinc/11/08/58/403110858.db2.gz PDNRLTRXPZZJTP-QAPCUYQASA-N 1 3 315.461 2.013 20 0 DEADHO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[C@@H](O)CN1CCCC1 ZINC000268802304 403115098 /nfs/dbraw/zinc/11/50/98/403115098.db2.gz BLMLRTPMQQVYGH-LBTNJELSSA-N 1 3 306.425 2.495 20 0 DEADHO CC[NH+]1CCC(N[C@H]2CCN(C(=O)Nc3ccccc3)C2)CC1 ZINC000282375607 403147816 /nfs/dbraw/zinc/14/78/16/403147816.db2.gz IQIFIEMNIIAKOX-KRWDZBQOSA-N 1 3 316.449 2.367 20 0 DEADHO CN(c1ccccc1CN(CCO)C1CC1)C1CC[NH+](C)CC1 ZINC000271052726 403258277 /nfs/dbraw/zinc/25/82/77/403258277.db2.gz BCXSUVKYKREYCV-UHFFFAOYSA-N 1 3 317.477 2.174 20 0 DEADHO COC(=O)[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)C[C@@H]1c1ccccc1 ZINC000339058392 403339012 /nfs/dbraw/zinc/33/90/12/403339012.db2.gz CRJSXMNJZBXQOY-KZNAEPCWSA-N 1 3 316.445 2.359 20 0 DEADHO COC(=O)[C@@H]1CN(CC[C@H]2CCC[N@H+]2C)C[C@@H]1c1ccccc1 ZINC000339058392 403339015 /nfs/dbraw/zinc/33/90/15/403339015.db2.gz CRJSXMNJZBXQOY-KZNAEPCWSA-N 1 3 316.445 2.359 20 0 DEADHO COC(=O)[C@@H]1C[N@H+](CC[C@H]2CCCN2C)C[C@@H]1c1ccccc1 ZINC000339058392 403339020 /nfs/dbraw/zinc/33/90/20/403339020.db2.gz CRJSXMNJZBXQOY-KZNAEPCWSA-N 1 3 316.445 2.359 20 0 DEADHO COC(=O)[C@@H]1C[N@@H+](CC[C@H]2CCCN2C)C[C@@H]1c1ccccc1 ZINC000339058392 403339024 /nfs/dbraw/zinc/33/90/24/403339024.db2.gz CRJSXMNJZBXQOY-KZNAEPCWSA-N 1 3 316.445 2.359 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000342763898 403340646 /nfs/dbraw/zinc/34/06/46/403340646.db2.gz FBZKDROMPUALMT-RYQLBKOJSA-N 1 3 315.461 2.328 20 0 DEADHO Cc1cc(NC(=O)[C@@H](C)C[NH3+])ccc1OCCN1CCCC1 ZINC000285787726 403380500 /nfs/dbraw/zinc/38/05/00/403380500.db2.gz OKGJNASXTJUDCI-AWEZNQCLSA-N 1 3 305.422 2.003 20 0 DEADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000343129498 403471287 /nfs/dbraw/zinc/47/12/87/403471287.db2.gz DWFUSGDJTKJVLY-IAGOWNOFSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000343129498 403471291 /nfs/dbraw/zinc/47/12/91/403471291.db2.gz DWFUSGDJTKJVLY-IAGOWNOFSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@@H]1[C@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)CCCN1C ZINC000345792399 403486704 /nfs/dbraw/zinc/48/67/04/403486704.db2.gz UQTKGWKBQZZBQJ-NVXWUHKLSA-N 1 3 322.497 2.129 20 0 DEADHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CCOC3(C)C)cc2)CC1 ZINC000293681590 403537265 /nfs/dbraw/zinc/53/72/65/403537265.db2.gz KJUYJVDPEUQKCF-SFHVURJKSA-N 1 3 317.477 2.091 20 0 DEADHO Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000566909802 292276506 /nfs/dbraw/zinc/27/65/06/292276506.db2.gz PEEOTKKFKJTIIU-ZWKOTPCHSA-N 1 3 320.477 2.445 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000340278366 403576669 /nfs/dbraw/zinc/57/66/69/403576669.db2.gz GMZQRXQKYKWZRO-PKOBYXMFSA-N 1 3 323.525 2.434 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1CN1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000340278366 403576670 /nfs/dbraw/zinc/57/66/70/403576670.db2.gz GMZQRXQKYKWZRO-PKOBYXMFSA-N 1 3 323.525 2.434 20 0 DEADHO CC(C)N1CCCC[C@@H]1C[NH+]1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000340278366 403576672 /nfs/dbraw/zinc/57/66/72/403576672.db2.gz GMZQRXQKYKWZRO-PKOBYXMFSA-N 1 3 323.525 2.434 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN2CCN(C3CCCC3)CC2)cc1 ZINC000420309999 286372331 /nfs/dbraw/zinc/37/23/31/286372331.db2.gz UQSNAESAEDRYAV-QGZVFWFLSA-N 1 3 317.477 2.298 20 0 DEADHO CC(C)[NH+](CCCN[C@H]1CCC[C@@H](S(C)(=O)=O)C1)C(C)C ZINC000340521263 403635589 /nfs/dbraw/zinc/63/55/89/403635589.db2.gz SFBWYKQCEALNTL-JKSUJKDBSA-N 1 3 318.527 2.441 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000343571538 403644758 /nfs/dbraw/zinc/64/47/58/403644758.db2.gz BFIREYRIUHVLGN-IAGOWNOFSA-N 1 3 307.482 2.384 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000343571538 403644760 /nfs/dbraw/zinc/64/47/60/403644760.db2.gz BFIREYRIUHVLGN-IAGOWNOFSA-N 1 3 307.482 2.384 20 0 DEADHO CC[C@H](C)[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000347274906 403645193 /nfs/dbraw/zinc/64/51/93/403645193.db2.gz RPDHMUJINLVSGP-JZXOWHBKSA-N 1 3 319.493 2.300 20 0 DEADHO c1cc(N2CCC([NH2+]CCCOC3CCOCC3)CC2)ccn1 ZINC000294169486 403664200 /nfs/dbraw/zinc/66/42/00/403664200.db2.gz JDTRFHBFPGPJHH-UHFFFAOYSA-N 1 3 319.449 2.226 20 0 DEADHO C[C@@H](CNC(=O)N[C@@H]1CCCN(C)[C@@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC000343649393 403677368 /nfs/dbraw/zinc/67/73/68/403677368.db2.gz HPGSSKMALMRAGF-CAOSSQGBSA-N 1 3 310.486 2.031 20 0 DEADHO C[C@@H](CNC(=O)N[C@@H]1CCCN(C)[C@@H]1C)[N@H+]1CCCC[C@@H]1C ZINC000343649393 403677371 /nfs/dbraw/zinc/67/73/71/403677371.db2.gz HPGSSKMALMRAGF-CAOSSQGBSA-N 1 3 310.486 2.031 20 0 DEADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3cccc4c3OCO4)CC2)C1 ZINC000333195424 403690820 /nfs/dbraw/zinc/69/08/20/403690820.db2.gz WDAPZUGVCRQNFX-NVXWUHKLSA-N 1 3 318.417 2.134 20 0 DEADHO C[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCCC[C@H]1C ZINC000340937194 403704989 /nfs/dbraw/zinc/70/49/89/403704989.db2.gz LAMSELRHIQQIGX-VQHPVUNQSA-N 1 3 322.497 2.127 20 0 DEADHO C[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCCC[C@H]1C ZINC000340937194 403704992 /nfs/dbraw/zinc/70/49/92/403704992.db2.gz LAMSELRHIQQIGX-VQHPVUNQSA-N 1 3 322.497 2.127 20 0 DEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000333250375 403707073 /nfs/dbraw/zinc/70/70/73/403707073.db2.gz GQHLTHJPSZGJHN-SJORKVTESA-N 1 3 309.498 2.129 20 0 DEADHO Cc1cc(N2CCC([NH2+][C@H]3CCNCC[C@@H]3C)CC2)nc(C)n1 ZINC000333296111 403719222 /nfs/dbraw/zinc/71/92/22/403719222.db2.gz PIBAZSQEKCUSTF-GUYCJALGSA-N 1 3 317.481 2.040 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000333343298 403729681 /nfs/dbraw/zinc/72/96/81/403729681.db2.gz QBZLOWUQTKGZQH-UHFFFAOYSA-N 1 3 302.422 2.284 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000347493324 403729981 /nfs/dbraw/zinc/72/99/81/403729981.db2.gz MAMQOEKPFKMDGX-IYBDPMFKSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CCN1C ZINC000341009087 403733899 /nfs/dbraw/zinc/73/38/99/403733899.db2.gz AKGAOCBAWBJMCS-HIFRSBDPSA-N 1 3 310.486 2.031 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000343804584 403740701 /nfs/dbraw/zinc/74/07/01/403740701.db2.gz XJUOWYLJUOTQJA-CGTJXYLNSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000343804588 403740809 /nfs/dbraw/zinc/74/08/09/403740809.db2.gz XJUOWYLJUOTQJA-RYQLBKOJSA-N 1 3 315.461 2.107 20 0 DEADHO CCC[NH+](CCC)CCCC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000343821389 403746234 /nfs/dbraw/zinc/74/62/34/403746234.db2.gz GALMUALZQSIABM-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000347562679 403753492 /nfs/dbraw/zinc/75/34/92/403753492.db2.gz UALUVCXRRIYBDH-AWEZNQCLSA-N 1 3 301.434 2.140 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000347562679 403753495 /nfs/dbraw/zinc/75/34/95/403753495.db2.gz UALUVCXRRIYBDH-AWEZNQCLSA-N 1 3 301.434 2.140 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N[C@H]1CCCN(C)[C@H]1C)C(C)C ZINC000343850077 403758594 /nfs/dbraw/zinc/75/85/94/403758594.db2.gz KEGKXEAHVVYCCF-HOTGVXAUSA-N 1 3 312.502 2.277 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN(C)C2CCC(F)(F)CC2)CC1 ZINC000347576013 403759790 /nfs/dbraw/zinc/75/97/90/403759790.db2.gz KYOAAPJCGQMNTI-UHFFFAOYSA-N 1 3 317.424 2.097 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000351627303 403813776 /nfs/dbraw/zinc/81/37/76/403813776.db2.gz GDRHKZQUGYPTGQ-HOTGVXAUSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000351637485 403820657 /nfs/dbraw/zinc/82/06/57/403820657.db2.gz VNSQJXITCCCAJC-HZPDHXFCSA-N 1 3 324.513 2.090 20 0 DEADHO CC[C@@](C)(NCc1ccc(C[NH+]2CCCCC2)cc1)C(N)=O ZINC000411396524 403843454 /nfs/dbraw/zinc/84/34/54/403843454.db2.gz XXSBIVAXGDCBQH-GOSISDBHSA-N 1 3 303.450 2.416 20 0 DEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CCN(C3CC3)CC2)C[C@H]1C ZINC000361763817 403850062 /nfs/dbraw/zinc/85/00/62/403850062.db2.gz GPDFYJCBSYPIGR-RHSMWYFYSA-N 1 3 322.497 2.127 20 0 DEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CCN(C3CC3)CC2)C[C@H]1C ZINC000361763817 403850066 /nfs/dbraw/zinc/85/00/66/403850066.db2.gz GPDFYJCBSYPIGR-RHSMWYFYSA-N 1 3 322.497 2.127 20 0 DEADHO O[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)C1CC1 ZINC000289178127 403861784 /nfs/dbraw/zinc/86/17/84/403861784.db2.gz AFNSYXPWOBGMHF-NCXUSEDFSA-N 1 3 300.446 2.258 20 0 DEADHO NC1(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000309669826 403961915 /nfs/dbraw/zinc/96/19/15/403961915.db2.gz RXQOIJDTLRXKQZ-QGZVFWFLSA-N 1 3 315.461 2.286 20 0 DEADHO NC1(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000309669826 403961923 /nfs/dbraw/zinc/96/19/23/403961923.db2.gz RXQOIJDTLRXKQZ-QGZVFWFLSA-N 1 3 315.461 2.286 20 0 DEADHO COc1cc(CN(C)CCN(C)C2CC[NH+](C)CC2)ccc1C ZINC000289422116 403956716 /nfs/dbraw/zinc/95/67/16/403956716.db2.gz JJXQZWQUXZWQKH-UHFFFAOYSA-N 1 3 319.493 2.461 20 0 DEADHO CC(C)[C@@H](CNC(=O)N1CCCN(C)CC1)[NH+]1CCC(C)CC1 ZINC000337334846 403980801 /nfs/dbraw/zinc/98/08/01/403980801.db2.gz LGAHEEIVXSFJIA-QGZVFWFLSA-N 1 3 324.513 2.090 20 0 DEADHO CN(CCNC(=O)C[C@H]1CCCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000295611941 404000457 /nfs/dbraw/zinc/00/04/57/404000457.db2.gz DUGIEFNPSBNHHP-SJORKVTESA-N 1 3 303.450 2.142 20 0 DEADHO C[NH+]1CCC2(CCCN(CCNC(=O)OC(C)(C)C)C2)CC1 ZINC000369206423 404003560 /nfs/dbraw/zinc/00/35/60/404003560.db2.gz VMSGHRBAXRTGKQ-UHFFFAOYSA-N 1 3 311.470 2.319 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1C)c1ccco1 ZINC000351917035 404005091 /nfs/dbraw/zinc/00/50/91/404005091.db2.gz KRYQDJYBLLVMML-ZNMIVQPWSA-N 1 3 322.453 2.102 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1C)c1ccco1 ZINC000351917035 404005096 /nfs/dbraw/zinc/00/50/96/404005096.db2.gz KRYQDJYBLLVMML-ZNMIVQPWSA-N 1 3 322.453 2.102 20 0 DEADHO CN(C)CCOc1cccc(NC(=O)[C@H]2CCCCC[NH2+]2)c1 ZINC000315364425 404011498 /nfs/dbraw/zinc/01/14/98/404011498.db2.gz LURNYZUIJNMXID-MRXNPFEDSA-N 1 3 305.422 2.098 20 0 DEADHO CC[C@@H]1CC[C@@H]1[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000348073028 404033198 /nfs/dbraw/zinc/03/31/98/404033198.db2.gz ZENKALPIBJQXPM-AEFFLSMTSA-N 1 3 302.466 2.372 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NC[C@@H](c2ccccc2)N(C)C)CCC[N@@H+]1C ZINC000344293681 404036398 /nfs/dbraw/zinc/03/63/98/404036398.db2.gz PAPIGVAPWMQVLW-OIISXLGYSA-N 1 3 318.465 2.071 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NC[C@@H](c2ccccc2)N(C)C)CCC[N@H+]1C ZINC000344293681 404036405 /nfs/dbraw/zinc/03/64/05/404036405.db2.gz PAPIGVAPWMQVLW-OIISXLGYSA-N 1 3 318.465 2.071 20 0 DEADHO CCc1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000320910887 404070603 /nfs/dbraw/zinc/07/06/03/404070603.db2.gz DBIIEOYZNVDWDW-FUHWJXTLSA-N 1 3 318.461 2.063 20 0 DEADHO CCc1cccc(OC[C@H](O)CNC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000320910887 404070611 /nfs/dbraw/zinc/07/06/11/404070611.db2.gz DBIIEOYZNVDWDW-FUHWJXTLSA-N 1 3 318.461 2.063 20 0 DEADHO CCc1cccc(OC[C@H](O)CNC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000320910887 404070619 /nfs/dbraw/zinc/07/06/19/404070619.db2.gz DBIIEOYZNVDWDW-FUHWJXTLSA-N 1 3 318.461 2.063 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000341618686 404071811 /nfs/dbraw/zinc/07/18/11/404071811.db2.gz TUXPCLRSZTYMHO-INMHGKMJSA-N 1 3 322.497 2.033 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000341618686 404071815 /nfs/dbraw/zinc/07/18/15/404071815.db2.gz TUXPCLRSZTYMHO-INMHGKMJSA-N 1 3 322.497 2.033 20 0 DEADHO CC(C)[C@H](C(=O)N1CCCN(C(C)C)CC1)[NH+]1CCCCC1 ZINC000354874733 404072005 /nfs/dbraw/zinc/07/20/05/404072005.db2.gz BAFVPRWFBJKYQJ-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H](NCCc1ccc(OCC[NH+](C)C)cc1)c1nccn1C ZINC000341708135 404126401 /nfs/dbraw/zinc/12/64/01/404126401.db2.gz PFPBZZOSFQIMGP-HNNXBMFYSA-N 1 3 316.449 2.254 20 0 DEADHO CN(CCC[NH+]1CCN(C)CC1)Cc1cnc(C2CCC2)s1 ZINC000349299212 404147740 /nfs/dbraw/zinc/14/77/40/404147740.db2.gz QCHLEMMVMMPVBX-UHFFFAOYSA-N 1 3 322.522 2.480 20 0 DEADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000349631420 404170930 /nfs/dbraw/zinc/17/09/30/404170930.db2.gz NZHAYAMXSORGMV-JKSUJKDBSA-N 1 3 312.502 2.233 20 0 DEADHO CN(CCNC(=O)NC1CC[NH+](CC2CCCC2)CC1)C1CC1 ZINC000363529728 404174717 /nfs/dbraw/zinc/17/47/17/404174717.db2.gz VADSHCKZXDOTHW-UHFFFAOYSA-N 1 3 322.497 2.034 20 0 DEADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H](C)NC1CC1 ZINC000296428702 404243434 /nfs/dbraw/zinc/24/34/34/404243434.db2.gz NCLOWTWDHYVPGK-AWEZNQCLSA-N 1 3 303.450 2.284 20 0 DEADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](C)NC1CC1 ZINC000296428702 404243438 /nfs/dbraw/zinc/24/34/38/404243438.db2.gz NCLOWTWDHYVPGK-AWEZNQCLSA-N 1 3 303.450 2.284 20 0 DEADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)C3CCN(C)CC3)C2)CC1 ZINC000369881862 404260550 /nfs/dbraw/zinc/26/05/50/404260550.db2.gz VGYRWRZVMRIHIW-QGZVFWFLSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000290679006 404269646 /nfs/dbraw/zinc/26/96/46/404269646.db2.gz LEEFZVCEPGZVHC-OAHLLOKOSA-N 1 3 320.481 2.276 20 0 DEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000290679006 404269656 /nfs/dbraw/zinc/26/96/56/404269656.db2.gz LEEFZVCEPGZVHC-OAHLLOKOSA-N 1 3 320.481 2.276 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000355413198 404331999 /nfs/dbraw/zinc/33/19/99/404331999.db2.gz PULNCPXEINKIQH-CALCHBBNSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H](C)CC[NH+](C)C)c1ccco1 ZINC000352341610 404299833 /nfs/dbraw/zinc/29/98/33/404299833.db2.gz ZBAZQIYKWRHHQC-RRFJBIMHSA-N 1 3 324.469 2.348 20 0 DEADHO CCN(CCNC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000338482557 404372626 /nfs/dbraw/zinc/37/26/26/404372626.db2.gz FDZJNCRWKQEPKQ-XHSDSOJGSA-N 1 3 324.513 2.136 20 0 DEADHO CCN(CCNC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000338482557 404372631 /nfs/dbraw/zinc/37/26/31/404372631.db2.gz FDZJNCRWKQEPKQ-XHSDSOJGSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@H](CN(C)C)NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000355860576 404373340 /nfs/dbraw/zinc/37/33/40/404373340.db2.gz MSPFBRSFOIRPBC-GDBMZVCRSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H](CN(C)C)NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000355860576 404373345 /nfs/dbraw/zinc/37/33/45/404373345.db2.gz MSPFBRSFOIRPBC-GDBMZVCRSA-N 1 3 310.486 2.033 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCOCCOc3ccccc3)C[C@H]21 ZINC000342151325 404403909 /nfs/dbraw/zinc/40/39/09/404403909.db2.gz XQDXTCDJBZZLDB-KBAYOESNSA-N 1 3 304.434 2.141 20 0 DEADHO CCN1CC[C@H](NC(=O)N[C@H]2CCCC[C@H]2C[NH+](CC)CC)C1 ZINC000413832760 404442648 /nfs/dbraw/zinc/44/26/48/404442648.db2.gz HXHRIOGDSIKHQE-ULQDDVLXSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H]1CN(C2CCN(CC[C@@H]3CCCC[N@@H+]3C)CC2)CCO1 ZINC000351225421 404532883 /nfs/dbraw/zinc/53/28/83/404532883.db2.gz LMWSJRLJORJNJH-SJORKVTESA-N 1 3 309.498 2.046 20 0 DEADHO C[C@@H]1CN(C2CCN(CC[C@@H]3CCCC[N@H+]3C)CC2)CCO1 ZINC000351225421 404532890 /nfs/dbraw/zinc/53/28/90/404532890.db2.gz LMWSJRLJORJNJH-SJORKVTESA-N 1 3 309.498 2.046 20 0 DEADHO C[C@@H]1CN(C2CC[NH+](CC[C@@H]3CCCCN3C)CC2)CCO1 ZINC000351225421 404532897 /nfs/dbraw/zinc/53/28/97/404532897.db2.gz LMWSJRLJORJNJH-SJORKVTESA-N 1 3 309.498 2.046 20 0 DEADHO CC(C)[N@H+](C)CCNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000352721952 404574783 /nfs/dbraw/zinc/57/47/83/404574783.db2.gz MXMWSUXVIPBIOA-WBVHZDCISA-N 1 3 320.481 2.317 20 0 DEADHO CC(C)[N@@H+](C)CCNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000352721952 404574790 /nfs/dbraw/zinc/57/47/90/404574790.db2.gz MXMWSUXVIPBIOA-WBVHZDCISA-N 1 3 320.481 2.317 20 0 DEADHO CC(C)[C@@H](N)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000292043648 404641588 /nfs/dbraw/zinc/64/15/88/404641588.db2.gz IKMRZSRACLELKB-KBAYOESNSA-N 1 3 317.477 2.481 20 0 DEADHO CC(C)[C@@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000292043648 404641595 /nfs/dbraw/zinc/64/15/95/404641595.db2.gz IKMRZSRACLELKB-KBAYOESNSA-N 1 3 317.477 2.481 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000365526282 404682474 /nfs/dbraw/zinc/68/24/74/404682474.db2.gz IZOJIMQLPDTSES-SFHVURJKSA-N 1 3 315.461 2.449 20 0 DEADHO CC[N@@H+](Cc1ccc(Cl)cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414672906 404705173 /nfs/dbraw/zinc/70/51/73/404705173.db2.gz IFIWDZOJCKCOEN-HNNXBMFYSA-N 1 3 323.868 2.359 20 0 DEADHO CC[N@H+](Cc1ccc(Cl)cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414672906 404705175 /nfs/dbraw/zinc/70/51/75/404705175.db2.gz IFIWDZOJCKCOEN-HNNXBMFYSA-N 1 3 323.868 2.359 20 0 DEADHO C[C@H]1C[C@H](CN2CCN(Cc3cccc(F)c3)CC2)CC[NH2+]1 ZINC000414671846 404705310 /nfs/dbraw/zinc/70/53/10/404705310.db2.gz GUMWUUBHXKGFCU-DOTOQJQBSA-N 1 3 305.441 2.331 20 0 DEADHO COc1cc(CN2CCC([C@H]3CCC[NH2+]3)CC2)cc(OC)c1O ZINC000414662142 404703499 /nfs/dbraw/zinc/70/34/99/404703499.db2.gz YSIPIZQXXCNAMR-OAHLLOKOSA-N 1 3 320.433 2.373 20 0 DEADHO CC(=O)NCCN(Cc1ccc(C)s1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414770486 404729771 /nfs/dbraw/zinc/72/97/71/404729771.db2.gz YCIIAOMTKLIRPI-XJKSGUPXSA-N 1 3 323.506 2.383 20 0 DEADHO COC(=O)c1cc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)oc1C ZINC000414774086 404730692 /nfs/dbraw/zinc/73/06/92/404730692.db2.gz FGCUAXFJSBTUBG-KGLIPLIRSA-N 1 3 306.406 2.196 20 0 DEADHO CN1CCC(CC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000365876609 404737844 /nfs/dbraw/zinc/73/78/44/404737844.db2.gz DIUKJWABDRQNEW-FUHWJXTLSA-N 1 3 319.493 2.194 20 0 DEADHO CN1CCC(CC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000365876609 404737848 /nfs/dbraw/zinc/73/78/48/404737848.db2.gz DIUKJWABDRQNEW-FUHWJXTLSA-N 1 3 319.493 2.194 20 0 DEADHO CCC(N)(CC)C[NH2+][C@H](C)CC(=O)NCCc1ccccc1 ZINC000414815102 404741097 /nfs/dbraw/zinc/74/10/97/404741097.db2.gz WUOBUYNNBQXTOM-OAHLLOKOSA-N 1 3 305.466 2.231 20 0 DEADHO C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000357819525 404744327 /nfs/dbraw/zinc/74/43/27/404744327.db2.gz DBAJZOLSNWTVMF-IKGGRYGDSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000357819525 404744329 /nfs/dbraw/zinc/74/43/29/404744329.db2.gz DBAJZOLSNWTVMF-IKGGRYGDSA-N 1 3 309.498 2.488 20 0 DEADHO CSC1(C[NH2+]Cc2cccc3nccn32)CCN(C)CC1 ZINC000353212360 404771582 /nfs/dbraw/zinc/77/15/82/404771582.db2.gz QCVYERBFLSYOMI-UHFFFAOYSA-N 1 3 304.463 2.251 20 0 DEADHO CC(C)C[C@H](C[NH3+])N[C@H](C)CC(=O)NCCc1ccccc1 ZINC000414855882 404749680 /nfs/dbraw/zinc/74/96/80/404749680.db2.gz XTOBGDXLPYOVOL-NVXWUHKLSA-N 1 3 305.466 2.087 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000358277993 404757804 /nfs/dbraw/zinc/75/78/04/404757804.db2.gz QHRYZMRJEULIIZ-SJORKVTESA-N 1 3 322.497 2.131 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000358277993 404757805 /nfs/dbraw/zinc/75/78/05/404757805.db2.gz QHRYZMRJEULIIZ-SJORKVTESA-N 1 3 322.497 2.131 20 0 DEADHO CC1(CNCc2ncc(Br)s2)CC[NH2+]CC1 ZINC000414897381 404761112 /nfs/dbraw/zinc/76/11/12/404761112.db2.gz DVOHJCBJDONYRS-UHFFFAOYSA-N 1 3 304.257 2.385 20 0 DEADHO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1=CCN(C)CC1 ZINC000358393505 404761907 /nfs/dbraw/zinc/76/19/07/404761907.db2.gz IAAALBXOHNHFCC-WMLDXEAASA-N 1 3 305.466 2.160 20 0 DEADHO C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1=CCN(C)CC1 ZINC000358393505 404761909 /nfs/dbraw/zinc/76/19/09/404761909.db2.gz IAAALBXOHNHFCC-WMLDXEAASA-N 1 3 305.466 2.160 20 0 DEADHO CC1(C)CCC[NH2+][C@@H]1CNC1CCN(c2nccs2)CC1 ZINC000414921887 404767179 /nfs/dbraw/zinc/76/71/79/404767179.db2.gz BZQLZWVYOPALSV-CQSZACIVSA-N 1 3 308.495 2.480 20 0 DEADHO C[C@@H]1C[C@@H](CN2CCN(C(=O)C3CCCCC3)CC2)CC[NH2+]1 ZINC000414696010 404710360 /nfs/dbraw/zinc/71/03/60/404710360.db2.gz VEHZGTCMPBJACN-CVEARBPZSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)C[C@H]1CCCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414714349 404714960 /nfs/dbraw/zinc/71/49/60/404714960.db2.gz VKCCBLIYINAZAV-DLBZAZTESA-N 1 3 309.498 2.474 20 0 DEADHO CC(C)C[C@H]1CCCCC[N@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414714349 404714962 /nfs/dbraw/zinc/71/49/62/404714962.db2.gz VKCCBLIYINAZAV-DLBZAZTESA-N 1 3 309.498 2.474 20 0 DEADHO C[C@@H]1C[C@H](CN2CCN(C(=O)C(C)(C)C)CC2(C)C)CC[NH2+]1 ZINC000414731950 404719334 /nfs/dbraw/zinc/71/93/34/404719334.db2.gz CFZHHKBCGUOTKK-HUUCEWRRSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C1CCC([N@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414761094 404726530 /nfs/dbraw/zinc/72/65/30/404726530.db2.gz SAPNCSQYIBUYCG-GTPINHCMSA-N 1 3 309.498 2.330 20 0 DEADHO CC(C)C1CCC([N@@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414761094 404726532 /nfs/dbraw/zinc/72/65/32/404726532.db2.gz SAPNCSQYIBUYCG-GTPINHCMSA-N 1 3 309.498 2.330 20 0 DEADHO Cc1cccc(C)c1CNC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414965399 404778098 /nfs/dbraw/zinc/77/80/98/404778098.db2.gz CTJBXQGLNROQDD-HNNXBMFYSA-N 1 3 315.383 2.229 20 0 DEADHO c1nc([C@H]2CCCO2)sc1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415009438 404787274 /nfs/dbraw/zinc/78/72/74/404787274.db2.gz OCBKQGNEQHVLGA-RRFJBIMHSA-N 1 3 307.463 2.472 20 0 DEADHO O=C(NCCCCC[NH+]1CCCCC1)N[C@H]1CCN(C2CC2)C1 ZINC000359233499 404787331 /nfs/dbraw/zinc/78/73/31/404787331.db2.gz XFWBSOMFRRKKAP-INIZCTEOSA-N 1 3 322.497 2.179 20 0 DEADHO C[C@H](C[C@H]1CCC[NH2+]1)NCC1(N2CCOCC2)CCCCC1 ZINC000415097711 404806524 /nfs/dbraw/zinc/80/65/24/404806524.db2.gz DDHNTHDXWHCBRY-IAGOWNOFSA-N 1 3 309.498 2.142 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000359917042 404809208 /nfs/dbraw/zinc/80/92/08/404809208.db2.gz LDSWWWZJIJKEHL-PMPSAXMXSA-N 1 3 312.502 2.088 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000359917042 404809211 /nfs/dbraw/zinc/80/92/11/404809211.db2.gz LDSWWWZJIJKEHL-PMPSAXMXSA-N 1 3 312.502 2.088 20 0 DEADHO CC[NH+](CC)Cc1cccc(CNC(=O)C(N)C(F)(F)F)c1 ZINC000353447285 404833713 /nfs/dbraw/zinc/83/37/13/404833713.db2.gz LITWODHYMWAJQM-ZDUSSCGKSA-N 1 3 317.355 2.034 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000415565441 404885358 /nfs/dbraw/zinc/88/53/58/404885358.db2.gz IJLSSQOOSLTWNU-OAHLLOKOSA-N 1 3 304.438 2.054 20 0 DEADHO CCn1cc(CCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000367017227 404899343 /nfs/dbraw/zinc/89/93/43/404899343.db2.gz VERCEYUKMNLMHB-WMZOPIPTSA-N 1 3 302.466 2.394 20 0 DEADHO CCn1cc(CCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000367017227 404899345 /nfs/dbraw/zinc/89/93/45/404899345.db2.gz VERCEYUKMNLMHB-WMZOPIPTSA-N 1 3 302.466 2.394 20 0 DEADHO [NH3+]C1(CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCC1 ZINC000416788586 404909944 /nfs/dbraw/zinc/90/99/44/404909944.db2.gz QQMNSHGUIKGHIG-INIZCTEOSA-N 1 3 316.449 2.004 20 0 DEADHO CCC[NH2+]CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000416787822 404910020 /nfs/dbraw/zinc/91/00/20/404910020.db2.gz PFMLLKHRDFOXTH-KRWDZBQOSA-N 1 3 318.465 2.122 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000353697527 404925989 /nfs/dbraw/zinc/92/59/89/404925989.db2.gz FBIRIDKVVCNZMJ-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000353697527 404925993 /nfs/dbraw/zinc/92/59/93/404925993.db2.gz FBIRIDKVVCNZMJ-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO [NH3+]C1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000416841632 404930675 /nfs/dbraw/zinc/93/06/75/404930675.db2.gz MCMLLXFKCXJGDC-AWEZNQCLSA-N 1 3 322.478 2.018 20 0 DEADHO [NH3+]C1(CNC(=O)NC[C@H](c2cccs2)N2CCCC2)CCC1 ZINC000416841370 404930817 /nfs/dbraw/zinc/93/08/17/404930817.db2.gz LUUSXCJQKWWPDS-CYBMUJFWSA-N 1 3 322.478 2.066 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000416842033 404931020 /nfs/dbraw/zinc/93/10/20/404931020.db2.gz MOALTTRDRDQYCX-DLBZAZTESA-N 1 3 318.465 2.121 20 0 DEADHO CN(CCCNC(=O)NC1CCC([NH3+])CC1)Cc1ccccc1 ZINC000416879545 404947096 /nfs/dbraw/zinc/94/70/96/404947096.db2.gz XECHYBOBSVMIQS-UHFFFAOYSA-N 1 3 318.465 2.078 20 0 DEADHO C[C@H]([NH3+])C1CCN(C(=O)NCc2ccc(CN(C)C)cc2)CC1 ZINC000416885004 404949542 /nfs/dbraw/zinc/94/95/42/404949542.db2.gz LIFHLMOUOWTXFR-AWEZNQCLSA-N 1 3 318.465 2.017 20 0 DEADHO CN(C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000417063170 405023604 /nfs/dbraw/zinc/02/36/04/405023604.db2.gz HUYHYSLWLCEPHU-NVXWUHKLSA-N 1 3 318.465 2.065 20 0 DEADHO CCN(C(=O)[C@@H]1C[C@@H]1[NH3+])[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000424157626 405025101 /nfs/dbraw/zinc/02/51/01/405025101.db2.gz QBTMQHBPUOIEFD-LLLHUVSDSA-N 1 3 301.434 2.018 20 0 DEADHO CCC(CC)[C@H](CNC(=O)N1C[C@H](C)NC[C@@H]1C)[NH+]1CCCC1 ZINC000416958090 404976582 /nfs/dbraw/zinc/97/65/82/404976582.db2.gz OPQANGDCXZMHEE-ZOBUZTSGSA-N 1 3 324.513 2.279 20 0 DEADHO COC1CCN(C2(C[NH2+][C@@H]3CCN(C)[C@@H](C)C3)CCCC2)CC1 ZINC000361221720 404980600 /nfs/dbraw/zinc/98/06/00/404980600.db2.gz UYPIKZQCDYFHNW-DLBZAZTESA-N 1 3 323.525 2.482 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]Cc2cnn(CC)c2)[C@H](C)C1 ZINC000353978418 404980998 /nfs/dbraw/zinc/98/09/98/404980998.db2.gz KYUOSLOULJMNQX-WBVHZDCISA-N 1 3 308.470 2.130 20 0 DEADHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C[C@H](N)c2ccccc2)CC1 ZINC000424045443 404982826 /nfs/dbraw/zinc/98/28/26/404982826.db2.gz UGVFNGLOFBLJIV-FUHWJXTLSA-N 1 3 315.461 2.313 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CCC[NH2+]1)c1ccsc1 ZINC000417007447 404997650 /nfs/dbraw/zinc/99/76/50/404997650.db2.gz KVCDUHBXEHQJEB-CABCVRRESA-N 1 3 324.494 2.182 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000389911114 405041047 /nfs/dbraw/zinc/04/10/47/405041047.db2.gz JJFAQTHDQGSEDQ-LMSBXDPUSA-N 1 3 315.461 2.011 20 0 DEADHO O=C(C[C@H]1CCC[NH2+]C1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000390717204 405047634 /nfs/dbraw/zinc/04/76/34/405047634.db2.gz CWVWWSXGUPKUIG-MSOLQXFVSA-N 1 3 315.461 2.157 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)C[C@H](c2ccccc2)[NH+](C)C)CCCN1C ZINC000416198344 405054697 /nfs/dbraw/zinc/05/46/97/405054697.db2.gz JVUZGBZGSYVHFB-HYVNUMGLSA-N 1 3 303.450 2.278 20 0 DEADHO CC(C)n1nccc1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000354134122 405060583 /nfs/dbraw/zinc/06/05/83/405060583.db2.gz OMMKGGRKMOAKDB-HZPDHXFCSA-N 1 3 308.470 2.443 20 0 DEADHO C[C@H]1CC2(CN1CC(=O)NC1CCCCCC1)CC[NH2+]CC2 ZINC000424297459 405061631 /nfs/dbraw/zinc/06/16/31/405061631.db2.gz STBZUNIMDUDSNC-HNNXBMFYSA-N 1 3 307.482 2.289 20 0 DEADHO C[C@@H]1CC2(CN1CC(=O)N(C)[C@H]1CCCC[C@H]1C)CC[NH2+]CC2 ZINC000424302488 405063576 /nfs/dbraw/zinc/06/35/76/405063576.db2.gz ZPUFSNGDGWYDNJ-ZACQAIPSSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1cc(CN)cc(NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000424412649 405085940 /nfs/dbraw/zinc/08/59/40/405085940.db2.gz BCHWNVMRLLHTKV-CQSZACIVSA-N 1 3 304.438 2.307 20 0 DEADHO Cc1cc(CN)cc(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC000424412649 405085949 /nfs/dbraw/zinc/08/59/49/405085949.db2.gz BCHWNVMRLLHTKV-CQSZACIVSA-N 1 3 304.438 2.307 20 0 DEADHO C[C@H]1[C@H](NC(=O)NCC[NH2+]C2CCCCCC2)CCCN1C ZINC000418003777 405109390 /nfs/dbraw/zinc/10/93/90/405109390.db2.gz NHJLYQZXKLIEIP-GOEBONIOSA-N 1 3 310.486 2.081 20 0 DEADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H](C)C[NH3+] ZINC000418023297 405109776 /nfs/dbraw/zinc/10/97/76/405109776.db2.gz BNTJTHWHTRJMSI-NVXWUHKLSA-N 1 3 320.481 2.037 20 0 DEADHO C[NH2+][C@@H]1CCN(C(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000418171638 405114555 /nfs/dbraw/zinc/11/45/55/405114555.db2.gz OHFXQSLIMNPSAN-MRXNPFEDSA-N 1 3 322.497 2.036 20 0 DEADHO C[NH2+][C@@H]1CCCN(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000418161504 405114857 /nfs/dbraw/zinc/11/48/57/405114857.db2.gz BVQQRMWSFGJXFW-DJIMGWMZSA-N 1 3 318.465 2.071 20 0 DEADHO C[C@H]1CCCC[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000424629281 405132200 /nfs/dbraw/zinc/13/22/00/405132200.db2.gz OILHPMAYOHLXSK-MAUKXSAKSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCCCCC1)C1=CCN(C)CC1 ZINC000361541720 405122269 /nfs/dbraw/zinc/12/22/69/405122269.db2.gz SBTFDJUZXRKOMH-JKSUJKDBSA-N 1 3 322.497 2.201 20 0 DEADHO CN1CCC2(CCCN2C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418633330 405144210 /nfs/dbraw/zinc/14/42/10/405144210.db2.gz DFAMWGQGODRQIY-OAHLLOKOSA-N 1 3 322.497 2.034 20 0 DEADHO CN(C)CC(C)(C)NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418671465 405160162 /nfs/dbraw/zinc/16/01/62/405160162.db2.gz LQWIJPRWEWMTTH-OAHLLOKOSA-N 1 3 306.454 2.106 20 0 DEADHO C[C@@H](CCCC[NH3+])NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000418673034 405161516 /nfs/dbraw/zinc/16/15/16/405161516.db2.gz NROFDEHWRGJVOO-HNNXBMFYSA-N 1 3 310.486 2.164 20 0 DEADHO CN(CCN1CCCC1)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418677420 405162435 /nfs/dbraw/zinc/16/24/35/405162435.db2.gz ROEHZFHTPBEIIK-KRWDZBQOSA-N 1 3 318.465 2.204 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]CC2(N(C)C)CCC2)[C@H](C)C1 ZINC000437105964 405184032 /nfs/dbraw/zinc/18/40/32/405184032.db2.gz UJHPXRSNSUWSQX-IAGOWNOFSA-N 1 3 311.514 2.197 20 0 DEADHO Cc1cc([C@@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cs1 ZINC000453104492 405284258 /nfs/dbraw/zinc/28/42/58/405284258.db2.gz UHQKBDQSPAIQGI-KGLIPLIRSA-N 1 3 309.479 2.295 20 0 DEADHO C[C@@H](CCCc1cccnc1)[NH2+]CCCN1CCCN(C)CC1 ZINC000453106692 405284848 /nfs/dbraw/zinc/28/48/48/405284848.db2.gz ZMHWNASLGGYYLM-SFHVURJKSA-N 1 3 318.509 2.410 20 0 DEADHO CC(C)(C[C@@H]1CCCN([C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1)C(N)=O ZINC000453286822 405290840 /nfs/dbraw/zinc/29/08/40/405290840.db2.gz RHNZJROUFFEOSP-XHSDSOJGSA-N 1 3 307.482 2.227 20 0 DEADHO CC(C)(C[C@@H]1CCCN([C@H]2CC[N@H+]3CCC[C@@H]3C2)C1)C(N)=O ZINC000453286822 405290843 /nfs/dbraw/zinc/29/08/43/405290843.db2.gz RHNZJROUFFEOSP-XHSDSOJGSA-N 1 3 307.482 2.227 20 0 DEADHO CC(C)(C[C@@H]1CCC[N@@H+]([C@H]2CCN3CCC[C@@H]3C2)C1)C(N)=O ZINC000453286822 405290846 /nfs/dbraw/zinc/29/08/46/405290846.db2.gz RHNZJROUFFEOSP-XHSDSOJGSA-N 1 3 307.482 2.227 20 0 DEADHO CC(C)(C[C@@H]1CCC[N@H+]([C@H]2CCN3CCC[C@@H]3C2)C1)C(N)=O ZINC000453286822 405290849 /nfs/dbraw/zinc/29/08/49/405290849.db2.gz RHNZJROUFFEOSP-XHSDSOJGSA-N 1 3 307.482 2.227 20 0 DEADHO CCN1CCC[C@H](NC(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)C1 ZINC000438864768 405256767 /nfs/dbraw/zinc/25/67/67/405256767.db2.gz ZKKIVGQPLWZISB-DLBZAZTESA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCC[C@H](NC(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)C1 ZINC000438864768 405256769 /nfs/dbraw/zinc/25/67/69/405256769.db2.gz ZKKIVGQPLWZISB-DLBZAZTESA-N 1 3 324.513 2.280 20 0 DEADHO CN(CC[C@@H]1CC[NH2+]C1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000420311018 405314670 /nfs/dbraw/zinc/31/46/70/405314670.db2.gz VRYAABQUUXKTMI-DOTOQJQBSA-N 1 3 301.434 2.113 20 0 DEADHO C[N@H+](CCOc1ccccc1Br)[C@@H](CN)C1CC1 ZINC000420315342 405315907 /nfs/dbraw/zinc/31/59/07/405315907.db2.gz LWLLBPLAZNOYOX-ZDUSSCGKSA-N 1 3 313.239 2.497 20 0 DEADHO C[N@@H+](CCOc1ccccc1Br)[C@@H](CN)C1CC1 ZINC000420315342 405315910 /nfs/dbraw/zinc/31/59/10/405315910.db2.gz LWLLBPLAZNOYOX-ZDUSSCGKSA-N 1 3 313.239 2.497 20 0 DEADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000420314552 405316156 /nfs/dbraw/zinc/31/61/56/405316156.db2.gz KIZBKMLFTBFPMP-YJBOKZPZSA-N 1 3 314.433 2.308 20 0 DEADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000420314552 405316159 /nfs/dbraw/zinc/31/61/59/405316159.db2.gz KIZBKMLFTBFPMP-YJBOKZPZSA-N 1 3 314.433 2.308 20 0 DEADHO COc1ccccc1[C@@H]1CNCCN1CC[C@@H]1CCC[NH2+]C1 ZINC000420319140 405317790 /nfs/dbraw/zinc/31/77/90/405317790.db2.gz XEPBFIFUDRDMLB-RDJZCZTQSA-N 1 3 303.450 2.031 20 0 DEADHO Cc1cccc(OCCN2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420321616 405318295 /nfs/dbraw/zinc/31/82/95/405318295.db2.gz DAZKAWUUBUUTOD-MRXNPFEDSA-N 1 3 304.434 2.061 20 0 DEADHO C[C@H](C(=O)N(C)c1ccccc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420332492 405322876 /nfs/dbraw/zinc/32/28/76/405322876.db2.gz DAYHMSVSGFFEIJ-IKGGRYGDSA-N 1 3 315.461 2.359 20 0 DEADHO O=C(CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)NC1CCCCCC1 ZINC000420344965 405327060 /nfs/dbraw/zinc/32/70/60/405327060.db2.gz VHJUAHSVXMWJHX-JKSUJKDBSA-N 1 3 307.482 2.147 20 0 DEADHO C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420347312 405328053 /nfs/dbraw/zinc/32/80/53/405328053.db2.gz YAESBKMACFOAGX-CIRFHOKZSA-N 1 3 315.461 2.184 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000454325840 405329204 /nfs/dbraw/zinc/32/92/04/405329204.db2.gz RMBCUBMGGLFQDK-QGZVFWFLSA-N 1 3 324.513 2.284 20 0 DEADHO [NH3+]CCOCCN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000420360351 405331281 /nfs/dbraw/zinc/33/12/81/405331281.db2.gz LYINTHDGAJHBAG-SNVBAGLBSA-N 1 3 323.384 2.317 20 0 DEADHO CC1(C)C[NH2+]CC[C@H]1NCCC(=O)NCc1ccccc1Cl ZINC000420361783 405331356 /nfs/dbraw/zinc/33/13/56/405331356.db2.gz MSOTZOBYFCTCCG-OAHLLOKOSA-N 1 3 323.868 2.324 20 0 DEADHO CC1(C)CNCC[C@H]1[NH2+]CCC(=O)NCc1ccccc1Cl ZINC000420361783 405331358 /nfs/dbraw/zinc/33/13/58/405331358.db2.gz MSOTZOBYFCTCCG-OAHLLOKOSA-N 1 3 323.868 2.324 20 0 DEADHO CCN1C[C@H](C)N(C[C@H](C[NH3+])c2ccc(OC)cc2)C[C@H]1C ZINC000420363067 405332189 /nfs/dbraw/zinc/33/21/89/405332189.db2.gz OXIPIIUYOBICGP-VYDXJSESSA-N 1 3 305.466 2.152 20 0 DEADHO CCC[NH+]1CCC(NC(=O)NCCN2CCCC(C)(C)C2)CC1 ZINC000445142733 405346725 /nfs/dbraw/zinc/34/67/25/405346725.db2.gz QYHDQXZADZRGMK-UHFFFAOYSA-N 1 3 324.513 2.282 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccoc1 ZINC000439936970 405297349 /nfs/dbraw/zinc/29/73/49/405297349.db2.gz BEPMLMRFNOOIQQ-KRWDZBQOSA-N 1 3 321.465 2.087 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccoc1 ZINC000439936970 405297351 /nfs/dbraw/zinc/29/73/51/405297351.db2.gz BEPMLMRFNOOIQQ-KRWDZBQOSA-N 1 3 321.465 2.087 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)[C@H]2CCCN2C2CCCC2)CC1 ZINC000440172905 405304919 /nfs/dbraw/zinc/30/49/19/405304919.db2.gz YMIMKGZIXYXYAK-QGZVFWFLSA-N 1 3 307.482 2.382 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000440286821 405307999 /nfs/dbraw/zinc/30/79/99/405307999.db2.gz YTLJFLNBDUPORF-OIISXLGYSA-N 1 3 307.482 2.382 20 0 DEADHO C[C@@H](CNC(=O)NC1CCC([NH+](C)C)CC1)N1CCC[C@@H](C)C1 ZINC000420782749 405383088 /nfs/dbraw/zinc/38/30/88/405383088.db2.gz DTCDESMVLJWEFI-XNIRIUNOSA-N 1 3 324.513 2.279 20 0 DEADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H](C)N(C)C ZINC000455446848 405411075 /nfs/dbraw/zinc/41/10/75/405411075.db2.gz XQJRBAUGZWEQJX-HNNXBMFYSA-N 1 3 320.481 2.230 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCOCC(F)(F)C(F)F ZINC000447598106 405418120 /nfs/dbraw/zinc/41/81/20/405418120.db2.gz HNMYVNVWJIELNL-OUAUKWLOSA-N 1 3 300.340 2.222 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCOCC(F)(F)C(F)F ZINC000447598106 405418122 /nfs/dbraw/zinc/41/81/22/405418122.db2.gz HNMYVNVWJIELNL-OUAUKWLOSA-N 1 3 300.340 2.222 20 0 DEADHO CC[NH+]1CCC(N2CCCN(Cc3cnccc3C)CC2)CC1 ZINC000420982491 405420599 /nfs/dbraw/zinc/42/05/99/405420599.db2.gz OVWKMIQWGBYSSA-UHFFFAOYSA-N 1 3 316.493 2.382 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448519783 405421290 /nfs/dbraw/zinc/42/12/90/405421290.db2.gz KYCLYFIRUKGLLJ-DFGXFYAUSA-N 1 3 319.493 2.335 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448519783 405421293 /nfs/dbraw/zinc/42/12/93/405421293.db2.gz KYCLYFIRUKGLLJ-DFGXFYAUSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000454773659 405376939 /nfs/dbraw/zinc/37/69/39/405376939.db2.gz DIIAOSAXPXCWBZ-IKGGRYGDSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H](CNC(=O)NCCN1CCC2(CCCCC2)CC1)[NH+](C)C ZINC000454901145 405377746 /nfs/dbraw/zinc/37/77/46/405377746.db2.gz BZUGBPDFPYEJMM-INIZCTEOSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@H](N[C@H](CO)CC(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000429461244 405431613 /nfs/dbraw/zinc/43/16/13/405431613.db2.gz IHIWATCLVIJAEV-JSGCOSHPSA-N 1 3 316.392 2.294 20 0 DEADHO CN1CCC[C@H]1CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455918293 405461547 /nfs/dbraw/zinc/46/15/47/405461547.db2.gz LAMLVXVOMWCKEZ-RDJZCZTQSA-N 1 3 316.449 2.451 20 0 DEADHO C[C@H](NC(=O)[C@H](C)N1CCC(C[NH3+])CC1)c1ccc(F)cc1 ZINC000430640113 405476826 /nfs/dbraw/zinc/47/68/26/405476826.db2.gz JSMJFTMEVZCTHY-STQMWFEESA-N 1 3 307.413 2.062 20 0 DEADHO CN(C)C(=O)CCN[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638452744 405478255 /nfs/dbraw/zinc/47/82/55/405478255.db2.gz CDTZWKXBLVSERJ-AEFFLSMTSA-N 1 3 315.461 2.422 20 0 DEADHO CN(C)C(=O)CCN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638452744 405478265 /nfs/dbraw/zinc/47/82/65/405478265.db2.gz CDTZWKXBLVSERJ-AEFFLSMTSA-N 1 3 315.461 2.422 20 0 DEADHO Cc1ccc([C@H](CNC(=O)NC(C)(C)C[NH+](C)C)N(C)C)cc1 ZINC000458054424 405481670 /nfs/dbraw/zinc/48/16/70/405481670.db2.gz UUPJNTLCJSJUFB-INIZCTEOSA-N 1 3 320.481 2.237 20 0 DEADHO CC[C@@H](CNC(=O)C1([NH3+])CCCC1)N1CCc2ccccc2C1 ZINC000430764422 405503066 /nfs/dbraw/zinc/50/30/66/405503066.db2.gz PXXISEBVGYRHBX-KRWDZBQOSA-N 1 3 315.461 2.211 20 0 DEADHO CN1CCC[C@H](CNC(=O)[C@]2(C)CC[NH2+]C2)[C@H]1c1cccs1 ZINC000430807935 405511060 /nfs/dbraw/zinc/51/10/60/405511060.db2.gz VUQAZSTVMIQVTP-UKPHBRMFSA-N 1 3 321.490 2.247 20 0 DEADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2(N)CCC2)C1 ZINC000449322466 405523028 /nfs/dbraw/zinc/52/30/28/405523028.db2.gz PLVDERFRRZBANG-HNNXBMFYSA-N 1 3 315.461 2.416 20 0 DEADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2(N)CCC2)C1 ZINC000449322466 405523033 /nfs/dbraw/zinc/52/30/33/405523033.db2.gz PLVDERFRRZBANG-HNNXBMFYSA-N 1 3 315.461 2.416 20 0 DEADHO C[NH2+]CC1CCN([C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000430923877 405530014 /nfs/dbraw/zinc/53/00/14/405530014.db2.gz GZXQLFBZAHLNEP-QGZVFWFLSA-N 1 3 301.434 2.113 20 0 DEADHO C[NH2+]CC1CCN([C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)CC1 ZINC000430942620 405539157 /nfs/dbraw/zinc/53/91/57/405539157.db2.gz MLTXUGQIDRBKIZ-KGLIPLIRSA-N 1 3 321.440 2.323 20 0 DEADHO C[C@H](C(=O)NCc1ccccc1Cl)N1CCC([C@H](C)[NH3+])CC1 ZINC000430955887 405545153 /nfs/dbraw/zinc/54/51/53/405545153.db2.gz BHJDLVCZASWQFM-QWHCGFSZSA-N 1 3 323.868 2.404 20 0 DEADHO C[C@H]([NH3+])C1CCN([C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)CC1 ZINC000430956552 405545664 /nfs/dbraw/zinc/54/56/64/405545664.db2.gz PEUYSJDHOUUJAL-PMPSAXMXSA-N 1 3 317.477 2.354 20 0 DEADHO CC(=O)c1ccc(NC(=O)CCN2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000430958168 405546119 /nfs/dbraw/zinc/54/61/19/405546119.db2.gz RPOLHEFHKRPUFF-CYBMUJFWSA-N 1 3 317.433 2.277 20 0 DEADHO C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CCC([C@H](C)[NH3+])CC1 ZINC000430968143 405551523 /nfs/dbraw/zinc/55/15/23/405551523.db2.gz XDHOYASYZDAQAE-QWHCGFSZSA-N 1 3 323.868 2.404 20 0 DEADHO C[C@H](CC(=O)Nc1ccc2c(c1)OCCNC2)[C@H]1CCC[NH2+]C1 ZINC000638667880 405604559 /nfs/dbraw/zinc/60/45/59/405604559.db2.gz FGMCEUZEMYQSNE-KGLIPLIRSA-N 1 3 317.433 2.133 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)N1CCC(CC[NH3+])CC1 ZINC000580455526 405621377 /nfs/dbraw/zinc/62/13/77/405621377.db2.gz JWYVPXRZPDKTBV-INIZCTEOSA-N 1 3 310.486 2.021 20 0 DEADHO COc1ccc([C@H](CN(C)C)NC(=O)CCCC[NH+](C)C)cc1 ZINC000557204489 405585971 /nfs/dbraw/zinc/58/59/71/405585971.db2.gz ARDGJIMGTZNKAB-KRWDZBQOSA-N 1 3 321.465 2.146 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000557516048 405601817 /nfs/dbraw/zinc/60/18/17/405601817.db2.gz MNMOWJAZCQMEBF-MRXNPFEDSA-N 1 3 317.477 2.395 20 0 DEADHO CC(C)CC[NH+]1CCC(CNC(=O)NCCN(C)C2CC2)CC1 ZINC000431629304 405652165 /nfs/dbraw/zinc/65/21/65/405652165.db2.gz VZYJSEVYYFUQOO-UHFFFAOYSA-N 1 3 324.513 2.138 20 0 DEADHO C[NH+](C)C1CCC(NC(=O)[C@@H]2CCCN2C2CCCC2)CC1 ZINC000422006555 405658129 /nfs/dbraw/zinc/65/81/29/405658129.db2.gz LUZVZAHUCIJFET-DQPZFDDXSA-N 1 3 307.482 2.382 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000582159485 405679662 /nfs/dbraw/zinc/67/96/62/405679662.db2.gz PQXWQONXEIQSMX-NVXWUHKLSA-N 1 3 322.497 2.033 20 0 DEADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000582159485 405679664 /nfs/dbraw/zinc/67/96/64/405679664.db2.gz PQXWQONXEIQSMX-NVXWUHKLSA-N 1 3 322.497 2.033 20 0 DEADHO C[NH+](C)[C@H]1CCC[C@@H](NC[C@H](O)COCc2ccccc2)C1 ZINC000580710285 405670611 /nfs/dbraw/zinc/67/06/11/405670611.db2.gz YKNXTRCAERHQDH-SQNIBIBYSA-N 1 3 306.450 2.027 20 0 DEADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C[C@H](O)COCc2ccccc2)C1 ZINC000580710285 405670617 /nfs/dbraw/zinc/67/06/17/405670617.db2.gz YKNXTRCAERHQDH-SQNIBIBYSA-N 1 3 306.450 2.027 20 0 DEADHO c1ccc2c(c1)OCC[C@@H]2CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422885224 405688420 /nfs/dbraw/zinc/68/84/20/405688420.db2.gz GLOVVMZWRJFCOE-NRSFXHEJSA-N 1 3 316.445 2.299 20 0 DEADHO CCO[C@@H]1C[C@H](N[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C12CCCC2 ZINC000422804175 405683322 /nfs/dbraw/zinc/68/33/22/405683322.db2.gz KHXBFQODCDHKBC-MDMSPXHWSA-N 1 3 322.493 2.471 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000638845536 405710522 /nfs/dbraw/zinc/71/05/22/405710522.db2.gz GPWSGRLIVWUOMB-GOSISDBHSA-N 1 3 315.461 2.246 20 0 DEADHO C[C@H](CCCC[NH3+])N[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000423161116 405708145 /nfs/dbraw/zinc/70/81/45/405708145.db2.gz NITOUEFAOGUWNP-ILXRZTDVSA-N 1 3 303.450 2.460 20 0 DEADHO CCOC(=O)C1([C@H](C)NCc2cnc(C)cc2C)CC[NH2+]CC1 ZINC000423162830 405708348 /nfs/dbraw/zinc/70/83/48/405708348.db2.gz QIVGXDYKXRZIPK-HNNXBMFYSA-N 1 3 319.449 2.109 20 0 DEADHO CC(C)c1ccc([C@H](N)C[NH2+][C@H](C)C[C@H]2COCCN2)cc1 ZINC000423240134 405734155 /nfs/dbraw/zinc/73/41/55/405734155.db2.gz KOHLGSNWUCVYDP-FHLIZLRMSA-N 1 3 305.466 2.166 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)N[C@@H](C[NH3+])CC(C)C ZINC000423260005 405740154 /nfs/dbraw/zinc/74/01/54/405740154.db2.gz GLGBBQFQEFNUFN-UONOGXRCSA-N 1 3 307.438 2.375 20 0 DEADHO C[NH2+]CCc1ccccc1C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000423322471 405759727 /nfs/dbraw/zinc/75/97/27/405759727.db2.gz IPIRSVDPGXOMKI-HOTGVXAUSA-N 1 3 317.477 2.441 20 0 DEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2NCCCC2(C)C)C1 ZINC000423366855 405778123 /nfs/dbraw/zinc/77/81/23/405778123.db2.gz QRHFIZKXJHGVTR-HUUCEWRRSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2NCCCC2(C)C)C1 ZINC000423366855 405778128 /nfs/dbraw/zinc/77/81/28/405778128.db2.gz QRHFIZKXJHGVTR-HUUCEWRRSA-N 1 3 309.498 2.391 20 0 DEADHO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CNC3)C12CCOCC2 ZINC000423365335 405778353 /nfs/dbraw/zinc/77/83/53/405778353.db2.gz BDBXCGZVFTVNTL-MSOLQXFVSA-N 1 3 316.445 2.354 20 0 DEADHO CC(=O)NCCc1ccc([C@H](C)[NH2+][C@H]2CCN[C@H](C)C2)cc1 ZINC000423364115 405778422 /nfs/dbraw/zinc/77/84/22/405778422.db2.gz ATKYYCOYFCLBRY-GLJUWKHASA-N 1 3 303.450 2.156 20 0 DEADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2NCCCC2(C)C)C1 ZINC000423366854 405778723 /nfs/dbraw/zinc/77/87/23/405778723.db2.gz QRHFIZKXJHGVTR-GJZGRUSLSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2NCCCC2(C)C)C1 ZINC000423366854 405778730 /nfs/dbraw/zinc/77/87/30/405778730.db2.gz QRHFIZKXJHGVTR-GJZGRUSLSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)[NH+]1CCC(N2CCN(C[C@H]3CCSC3)CC2)CC1 ZINC000494930662 405785197 /nfs/dbraw/zinc/78/51/97/405785197.db2.gz ALQLSDKKFGMKOT-MRXNPFEDSA-N 1 3 311.539 2.230 20 0 DEADHO C[C@H]1C[C@@H](N(C)C(=O)C2(C)C[NH2+]C2)CCN1Cc1ccccc1 ZINC000423394166 405788326 /nfs/dbraw/zinc/78/83/26/405788326.db2.gz PYEJBINWZRELDT-RDJZCZTQSA-N 1 3 315.461 2.107 20 0 DEADHO CC1(C)CCCN[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000423421588 405799347 /nfs/dbraw/zinc/79/93/47/405799347.db2.gz YBEVFHNLPRPEAJ-CVEARBPZSA-N 1 3 307.482 2.145 20 0 DEADHO CC1(C)CCCN[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000423421588 405799351 /nfs/dbraw/zinc/79/93/51/405799351.db2.gz YBEVFHNLPRPEAJ-CVEARBPZSA-N 1 3 307.482 2.145 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])C2)cc1 ZINC000639001973 405812853 /nfs/dbraw/zinc/81/28/53/405812853.db2.gz SUDXONTZWKKUAE-BPQIPLTHSA-N 1 3 317.477 2.305 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H](c2nnc[n-]2)c2ccc(F)cc2)C1 ZINC000423465743 405815273 /nfs/dbraw/zinc/81/52/73/405815273.db2.gz HUHXYRVXKWRCNN-GLQYFDAESA-N 1 3 303.385 2.140 20 0 DEADHO C[C@H](C(=O)N1C[C@H](C[NH3+])Cc2ccccc21)[C@@H](N)c1ccccc1 ZINC000639021193 405823995 /nfs/dbraw/zinc/82/39/95/405823995.db2.gz SKRKZEZXQVTAMT-YZVOILCLSA-N 1 3 323.440 2.487 20 0 DEADHO C[NH2+]CCc1ccccc1C(=O)NCCN1CCCC[C@@H]1C ZINC000423337146 405764948 /nfs/dbraw/zinc/76/49/48/405764948.db2.gz TVCBHOMFPMPOQG-HNNXBMFYSA-N 1 3 303.450 2.053 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)[C@@H]2NCCCC2(C)C)CC1 ZINC000423335289 405766269 /nfs/dbraw/zinc/76/62/69/405766269.db2.gz RLPKXKZQRJSMQF-INIZCTEOSA-N 1 3 309.498 2.393 20 0 DEADHO CN(C)CCNC(=O)c1cccc(C[NH2+]C2CC(C)(C)C2)c1 ZINC000433114406 405870187 /nfs/dbraw/zinc/87/01/87/405870187.db2.gz GDUSPTCVMKNSCR-UHFFFAOYSA-N 1 3 303.450 2.256 20 0 DEADHO CCN1CCC(N(C)C(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000457515363 405877182 /nfs/dbraw/zinc/87/71/82/405877182.db2.gz IEMZHJBYYARMLP-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO NC(=O)[C@@H]1CCC[N@H+](CCCNCCc2cccc(Cl)c2)C1 ZINC000459422608 405896235 /nfs/dbraw/zinc/89/62/35/405896235.db2.gz FXMXZQLHOTUVKL-OAHLLOKOSA-N 1 3 323.868 2.060 20 0 DEADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNCCc2cccc(Cl)c2)C1 ZINC000459422608 405896247 /nfs/dbraw/zinc/89/62/47/405896247.db2.gz FXMXZQLHOTUVKL-OAHLLOKOSA-N 1 3 323.868 2.060 20 0 DEADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000633795122 405840858 /nfs/dbraw/zinc/84/08/58/405840858.db2.gz CVECZVNZZZSKBQ-FUHWJXTLSA-N 1 3 317.477 2.213 20 0 DEADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000633795122 405840864 /nfs/dbraw/zinc/84/08/64/405840864.db2.gz CVECZVNZZZSKBQ-FUHWJXTLSA-N 1 3 317.477 2.213 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000423718287 405926041 /nfs/dbraw/zinc/92/60/41/405926041.db2.gz LDCHQRYKEFUAPG-JKSUJKDBSA-N 1 3 315.461 2.210 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cccc(F)c1N ZINC000639170708 405942636 /nfs/dbraw/zinc/94/26/36/405942636.db2.gz GKUWAYIHAWTTEJ-MRXNPFEDSA-N 1 3 322.472 2.256 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cccc(F)c1N ZINC000639170708 405942641 /nfs/dbraw/zinc/94/26/41/405942641.db2.gz GKUWAYIHAWTTEJ-MRXNPFEDSA-N 1 3 322.472 2.256 20 0 DEADHO C[NH+](C)CC1CCC(NC(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000423751776 405946419 /nfs/dbraw/zinc/94/64/19/405946419.db2.gz VMSDCLCXBRHNJN-BDVYOWHSSA-N 1 3 303.450 2.313 20 0 DEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000423755710 405948550 /nfs/dbraw/zinc/94/85/50/405948550.db2.gz FNGFNARXJFXUKK-DOTOQJQBSA-N 1 3 321.440 2.233 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000423760804 405952039 /nfs/dbraw/zinc/95/20/39/405952039.db2.gz NQPHPUBCHOSQLJ-INIZCTEOSA-N 1 3 309.498 2.347 20 0 DEADHO O=C([C@H]1CC[NH2+]1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000423762575 405953608 /nfs/dbraw/zinc/95/36/08/405953608.db2.gz STBFSNUZNPMTMY-MRXNPFEDSA-N 1 3 321.852 2.126 20 0 DEADHO CC[N@H+](CCNC(=O)NC[C@H]1CCCCN1C1CC1)C(C)C ZINC000433606369 405964322 /nfs/dbraw/zinc/96/43/22/405964322.db2.gz CLCCHPVZOZZEKB-MRXNPFEDSA-N 1 3 310.486 2.033 20 0 DEADHO CC[N@@H+](CCNC(=O)NC[C@H]1CCCCN1C1CC1)C(C)C ZINC000433606369 405964325 /nfs/dbraw/zinc/96/43/25/405964325.db2.gz CLCCHPVZOZZEKB-MRXNPFEDSA-N 1 3 310.486 2.033 20 0 DEADHO Cc1nc(C)c([C@H](C)[NH2+]CCCCN2CCN(C)CC2)s1 ZINC000531686500 405993918 /nfs/dbraw/zinc/99/39/18/405993918.db2.gz KZDDOGRCWBHSER-ZDUSSCGKSA-N 1 3 310.511 2.438 20 0 DEADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000433913387 405998869 /nfs/dbraw/zinc/99/88/69/405998869.db2.gz CXJLGLMOMBQYFN-DOTOQJQBSA-N 1 3 322.497 2.034 20 0 DEADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000433913387 405998877 /nfs/dbraw/zinc/99/88/77/405998877.db2.gz CXJLGLMOMBQYFN-DOTOQJQBSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCCNC(=O)C1 ZINC000639358738 406063747 /nfs/dbraw/zinc/06/37/47/406063747.db2.gz ATMIRNRLGLFWHF-KBAYOESNSA-N 1 3 315.461 2.013 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634260912 406072203 /nfs/dbraw/zinc/07/22/03/406072203.db2.gz XCCLYZDOEBZMAD-QGZVFWFLSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000518371016 406137614 /nfs/dbraw/zinc/13/76/14/406137614.db2.gz LMBQUVRWQLIJTR-JKQORVJESA-N 1 3 318.465 2.247 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccccc1CN1CCOCC1 ZINC000568074791 406188722 /nfs/dbraw/zinc/18/87/22/406188722.db2.gz SXHQACAIKNCYBI-VQIMIIECSA-N 1 3 317.477 2.126 20 0 DEADHO O[C@@]1(CN2CC[C@]3(CC3(F)F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639723572 406221524 /nfs/dbraw/zinc/22/15/24/406221524.db2.gz NCRBZWXUJVPUCM-IRXDYDNUSA-N 1 3 322.399 2.355 20 0 DEADHO O[C@@]1(CN2CC[C@]3(CC3(F)F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639723572 406221528 /nfs/dbraw/zinc/22/15/28/406221528.db2.gz NCRBZWXUJVPUCM-IRXDYDNUSA-N 1 3 322.399 2.355 20 0 DEADHO C[C@@H](C(=O)Nc1ccccc1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639760178 406239166 /nfs/dbraw/zinc/23/91/66/406239166.db2.gz SZLUSVGLPQRWCA-HNNXBMFYSA-N 1 3 301.434 2.431 20 0 DEADHO O[C@H](C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)CN1CCCC1 ZINC000634723616 406247653 /nfs/dbraw/zinc/24/76/53/406247653.db2.gz YYJLWYCYYVAOOS-ZACQAIPSSA-N 1 3 324.852 2.216 20 0 DEADHO CC[NH+](CC)CCCNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000487537889 406243809 /nfs/dbraw/zinc/24/38/09/406243809.db2.gz LFRVTJICOTVYDZ-BRWVUGGUSA-N 1 3 324.513 2.090 20 0 DEADHO CC1(C)C[NH2+]CC[C@H](NC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000634763703 406271873 /nfs/dbraw/zinc/27/18/73/406271873.db2.gz BHKVLUOMBZWADE-GOEBONIOSA-N 1 3 301.434 2.115 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000520198108 406273359 /nfs/dbraw/zinc/27/33/59/406273359.db2.gz CXLJLZFBPVVCJF-UHFFFAOYSA-N 1 3 324.513 2.378 20 0 DEADHO CN(C)C[C@H]1COC2(CCCC2)CN1CC[C@@H]1CCC[N@@H+]1C ZINC000639877190 406294862 /nfs/dbraw/zinc/29/48/62/406294862.db2.gz JDGNOYQLUWEKGO-IRXDYDNUSA-N 1 3 309.498 2.046 20 0 DEADHO CN(C)C[C@H]1COC2(CCCC2)CN1CC[C@@H]1CCC[N@H+]1C ZINC000639877190 406294867 /nfs/dbraw/zinc/29/48/67/406294867.db2.gz JDGNOYQLUWEKGO-IRXDYDNUSA-N 1 3 309.498 2.046 20 0 DEADHO CCC[N@H+](CC)CCNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000489279457 406388910 /nfs/dbraw/zinc/38/89/10/406388910.db2.gz PIGJXCPHJSSVCQ-GVDBMIGSSA-N 1 3 324.513 2.090 20 0 DEADHO CCC[N@@H+](CC)CCNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000489279457 406388918 /nfs/dbraw/zinc/38/89/18/406388918.db2.gz PIGJXCPHJSSVCQ-GVDBMIGSSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000635011736 406399728 /nfs/dbraw/zinc/39/97/28/406399728.db2.gz GNSIXFKYMOIQAM-CPUCHLNUSA-N 1 3 324.490 2.171 20 0 DEADHO C[C@H](C[NH2+][C@H]1CCNCC[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000635011736 406399731 /nfs/dbraw/zinc/39/97/31/406399731.db2.gz GNSIXFKYMOIQAM-CPUCHLNUSA-N 1 3 324.490 2.171 20 0 DEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000570562358 406408946 /nfs/dbraw/zinc/40/89/46/406408946.db2.gz BHWNMUNVDWLOPS-CFVMTHIKSA-N 1 3 315.383 2.171 20 0 DEADHO CCN1CCC[C@H](NC(=O)N2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000633084043 406375905 /nfs/dbraw/zinc/37/59/05/406375905.db2.gz ZFBCJIHECFPZTR-INIZCTEOSA-N 1 3 322.497 2.131 20 0 DEADHO O=C(NCCC[NH+]1CCCCCC1)[C@@H]1CNCc2ccccc21 ZINC000571049115 406472830 /nfs/dbraw/zinc/47/28/30/406472830.db2.gz DURNQDJNCFIKKL-GOSISDBHSA-N 1 3 315.461 2.256 20 0 DEADHO CC(C)[NH2+]CC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000570740378 406433847 /nfs/dbraw/zinc/43/38/47/406433847.db2.gz LIRDJMWOWWCKBZ-OAHLLOKOSA-N 1 3 303.450 2.326 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CNCc3ccccc32)C1 ZINC000571639268 406546465 /nfs/dbraw/zinc/54/64/65/406546465.db2.gz TURRTMRTLLOBHP-YJBOKZPZSA-N 1 3 315.461 2.064 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CNCc3ccccc32)C1 ZINC000571639268 406546469 /nfs/dbraw/zinc/54/64/69/406546469.db2.gz TURRTMRTLLOBHP-YJBOKZPZSA-N 1 3 315.461 2.064 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)C3CCC=CCC3)CC2)CC1 ZINC000635458417 406546822 /nfs/dbraw/zinc/54/68/22/406546822.db2.gz UVEZZCUMPCTRRV-UHFFFAOYSA-N 1 3 319.493 2.408 20 0 DEADHO CC[NH2+][C@H](C)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000638083950 406560948 /nfs/dbraw/zinc/56/09/48/406560948.db2.gz ICHZIIYAJOKOAC-CYBMUJFWSA-N 1 3 309.479 2.074 20 0 DEADHO c1[nH]nc2c1CC[C@@H](N[C@@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000572111814 406606949 /nfs/dbraw/zinc/60/69/49/406606949.db2.gz VMTKADJBCGOAKP-LSBZLQRGSA-N 1 3 324.428 2.113 20 0 DEADHO CCN[C@H](C)C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000638119747 406580740 /nfs/dbraw/zinc/58/07/40/406580740.db2.gz VPCTVXZVLIFZDK-OAHLLOKOSA-N 1 3 319.449 2.406 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000646014464 406744139 /nfs/dbraw/zinc/74/41/39/406744139.db2.gz YTIWAPQKDIWKEE-PBHICJAKSA-N 1 3 315.461 2.326 20 0 DEADHO C[C@@H](COc1cccc(F)c1)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000638404205 406752230 /nfs/dbraw/zinc/75/22/30/406752230.db2.gz VPTHKOINQNWJGV-AWEZNQCLSA-N 1 3 324.440 2.418 20 0 DEADHO CN(C)C/C=C\C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000491889293 406765503 /nfs/dbraw/zinc/76/55/03/406765503.db2.gz VSSFLHDYLVOOGP-WAYWQWQTSA-N 1 3 301.434 2.381 20 0 DEADHO CCCCN1CCC([NH2+]C2CCN(CC(C)(C)O)CC2)CC1 ZINC000638430423 406768461 /nfs/dbraw/zinc/76/84/61/406768461.db2.gz PWICKNIYUAQUNJ-UHFFFAOYSA-N 1 3 311.514 2.076 20 0 DEADHO CC(C)CC[C@H](N)C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000638332815 406705971 /nfs/dbraw/zinc/70/59/71/406705971.db2.gz KROZFIPADDETBT-LBPRGKRZSA-N 1 3 310.467 2.312 20 0 DEADHO C[C@H](C[NH2+]C1CCN(CC(C)(C)O)CC1)N1CCCC[C@@H]1C ZINC000638361611 406724621 /nfs/dbraw/zinc/72/46/21/406724621.db2.gz RSDZOKUYBIOTAR-JKSUJKDBSA-N 1 3 311.514 2.074 20 0 DEADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000527941479 406792950 /nfs/dbraw/zinc/79/29/50/406792950.db2.gz ZVNKWTZGACPMQI-NDBYEHHHSA-N 1 3 304.360 2.305 20 0 DEADHO C[C@H](C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)N1CCCCCC1 ZINC000646381279 406853942 /nfs/dbraw/zinc/85/39/42/406853942.db2.gz KPPVEHQIAADXOC-FGTMMUONSA-N 1 3 321.509 2.489 20 0 DEADHO [NH3+]CC1(CC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000646408933 406859066 /nfs/dbraw/zinc/85/90/66/406859066.db2.gz UCAQCVBHADLJOW-QGZVFWFLSA-N 1 3 315.461 2.459 20 0 DEADHO O=C(C[NH2+]CC1CC1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000646409874 406860170 /nfs/dbraw/zinc/86/01/70/406860170.db2.gz BTLKEGNNDMWRHJ-SFHVURJKSA-N 1 3 315.461 2.329 20 0 DEADHO CC[NH+](CC)CC[C@H](CO)N[C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000641769396 406888221 /nfs/dbraw/zinc/88/82/21/406888221.db2.gz ATICZMLWJWJMIH-BRSBDYLESA-N 1 3 312.498 2.264 20 0 DEADHO CC[NH+](CC)CC[C@H](CO)NC1CCN(c2ccccc2)CC1 ZINC000641770533 406888495 /nfs/dbraw/zinc/88/84/95/406888495.db2.gz VNSMUIIYLPJAAK-GOSISDBHSA-N 1 3 319.493 2.338 20 0 DEADHO [NH3+]C[C@H]1CN(C[C@H]2CCC3(CCCC3)O2)CC12CCOCC2 ZINC000641798651 406894522 /nfs/dbraw/zinc/89/45/22/406894522.db2.gz KMWYCPWGSWMKLI-JKSUJKDBSA-N 1 3 308.466 2.166 20 0 DEADHO C[C@H](C[NH3+])NC(=O)c1ccccc1OCCN1CCCC[C@H]1C ZINC000646969562 406933879 /nfs/dbraw/zinc/93/38/79/406933879.db2.gz VSPCQTKCWRYVGG-HUUCEWRRSA-N 1 3 319.449 2.017 20 0 DEADHO C[C@H]([NH3+])CNC(=O)c1ccccc1OCCN1CCCC[C@@H]1C ZINC000647022048 406942396 /nfs/dbraw/zinc/94/23/96/406942396.db2.gz UIWHLNFJNHQRIJ-GJZGRUSLSA-N 1 3 319.449 2.017 20 0 DEADHO C[NH+](C)CCOc1ccccc1-c1nc([C@@H]2CCCN2)no1 ZINC000647151305 406959593 /nfs/dbraw/zinc/95/95/93/406959593.db2.gz AZKGKNCCBFEHSN-ZDUSSCGKSA-N 1 3 302.378 2.102 20 0 DEADHO C[C@@H](CCCC[NH3+])N[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000643533244 407011735 /nfs/dbraw/zinc/01/17/35/407011735.db2.gz XPJYUKVQOGZCIL-FZMZJTMJSA-N 1 3 314.426 2.151 20 0 DEADHO C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cn(-c2ccccc2)nn1 ZINC000647548611 407018665 /nfs/dbraw/zinc/01/86/65/407018665.db2.gz KSPRUXWWASVJOV-XUWVNRHRSA-N 1 3 311.433 2.306 20 0 DEADHO Cc1cc(F)c(CNCCCC[NH+]2CCN(C)CC2)c(F)c1 ZINC000643744534 407037533 /nfs/dbraw/zinc/03/75/33/407037533.db2.gz VYRLIRBQBNVGAR-UHFFFAOYSA-N 1 3 311.420 2.390 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@H]1NC1CCN(C(=O)NC2CCCCC2)CC1 ZINC000643469999 407004291 /nfs/dbraw/zinc/00/42/91/407004291.db2.gz OVESOZKGEULKBM-RHSMWYFYSA-N 1 3 322.497 2.081 20 0 DEADHO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)C1 ZINC000647975138 407091316 /nfs/dbraw/zinc/09/13/16/407091316.db2.gz MPKMTZWJQKIIGP-MHORFTMASA-N 1 3 321.509 2.203 20 0 DEADHO CCC[C@H](C)NC(=O)[C@H](C)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976524 407092020 /nfs/dbraw/zinc/09/20/20/407092020.db2.gz PSABHEUGBDZTEE-LUKYLMHMSA-N 1 3 309.498 2.391 20 0 DEADHO CS(=O)(=O)C[C@H](NCCCC1CC[NH2+]CC1)c1ccccc1 ZINC000647992092 407096180 /nfs/dbraw/zinc/09/61/80/407096180.db2.gz DBOGUPNSICSDFM-KRWDZBQOSA-N 1 3 324.490 2.142 20 0 DEADHO CC1(C)CN[C@@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000644157767 407097327 /nfs/dbraw/zinc/09/73/27/407097327.db2.gz ZXWVYEAOCUGTPA-MRXNPFEDSA-N 1 3 301.434 2.261 20 0 DEADHO O[C@@H](CNc1[nH+]ccc2[nH]ccc21)CN1CCc2ccccc2C1 ZINC000647855481 407062342 /nfs/dbraw/zinc/06/23/42/407062342.db2.gz LHHPMFCPWKRSFD-INIZCTEOSA-N 1 3 322.412 2.394 20 0 DEADHO CN(C)CCN(Cc1ccccc1F)C(=O)CCC(C)(C)[NH3+] ZINC000648137371 407124843 /nfs/dbraw/zinc/12/48/43/407124843.db2.gz WTEUCQKUUROEPV-UHFFFAOYSA-N 1 3 309.429 2.233 20 0 DEADHO CCC[NH+]1CCC(N[C@@H]2CCCc3c2ccc(=O)n3C)CC1 ZINC000647908771 407072303 /nfs/dbraw/zinc/07/23/03/407072303.db2.gz GSUNBDSKKUYAGT-MRXNPFEDSA-N 1 3 303.450 2.227 20 0 DEADHO COc1ccccc1[C@@H](N)CNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000644092714 407085338 /nfs/dbraw/zinc/08/53/38/407085338.db2.gz SGQNBFNABFPGAH-CVEARBPZSA-N 1 3 319.449 2.109 20 0 DEADHO COc1ccccc1[C@@H](N)CNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000644092517 407085769 /nfs/dbraw/zinc/08/57/69/407085769.db2.gz ONLAIRHXEUJSJR-WBMJQRKESA-N 1 3 313.401 2.145 20 0 DEADHO CC[C@@H]1C[C@H](NCc2ccncc2OCCC[NH+](C)C)CCO1 ZINC000648589249 407201863 /nfs/dbraw/zinc/20/18/63/407201863.db2.gz BWWZLVKBSJKNMW-IAGOWNOFSA-N 1 3 321.465 2.459 20 0 DEADHO CCCN(C(=O)N[C@@H](C)C[N@H+](CC)CCC)[C@H]1CCN(C)C1 ZINC000645513171 407287770 /nfs/dbraw/zinc/28/77/70/407287770.db2.gz RBLJOQPJTMZLEU-HOTGVXAUSA-N 1 3 312.502 2.233 20 0 DEADHO CCCN(C(=O)N[C@@H](C)C[N@@H+](CC)CCC)[C@H]1CCN(C)C1 ZINC000645513171 407287771 /nfs/dbraw/zinc/28/77/71/407287771.db2.gz RBLJOQPJTMZLEU-HOTGVXAUSA-N 1 3 312.502 2.233 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CC2([NH3+])CCC2)C1 ZINC000645693291 407297123 /nfs/dbraw/zinc/29/71/23/407297123.db2.gz OXKLGECBHVCXIX-GDBMZVCRSA-N 1 3 301.434 2.210 20 0 DEADHO CC[C@@H]([NH3+])CNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000417353573 286863551 /nfs/dbraw/zinc/86/35/51/286863551.db2.gz JLBKQGHOAQOVRT-IAGOWNOFSA-N 1 3 318.465 2.168 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC001369430078 1148979729 /nfs/dbraw/zinc/97/97/29/1148979729.db2.gz AKIGEOZLGCJCPX-GDBMZVCRSA-N 1 3 320.481 2.461 20 0 DEADHO Cc1c([C@H](C)NCC[C@@H]2CC[NH2+]C2)nnn1-c1ccc(F)cc1 ZINC000569918893 292451625 /nfs/dbraw/zinc/45/16/25/292451625.db2.gz VBPFBWIYTNZTQN-JSGCOSHPSA-N 1 3 317.412 2.365 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000113404509 287007746 /nfs/dbraw/zinc/00/77/46/287007746.db2.gz LKUYXXPYICYUQJ-QGZVFWFLSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H](c1ccccc1Cl)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221162442 287149903 /nfs/dbraw/zinc/14/99/03/287149903.db2.gz AZNTWLDQZGXFQT-QWHCGFSZSA-N 1 3 309.841 2.188 20 0 DEADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(CS(C)(=O)=O)c1 ZINC000131621501 196185310 /nfs/dbraw/zinc/18/53/10/196185310.db2.gz XVJKXXGJHGOJPQ-CKEIUWERSA-N 1 3 324.490 2.050 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000423763497 287320472 /nfs/dbraw/zinc/32/04/72/287320472.db2.gz RPQJEOJZVMNFJP-SJORKVTESA-N 1 3 321.440 2.104 20 0 DEADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000291144836 222170441 /nfs/dbraw/zinc/17/04/41/222170441.db2.gz GOGHTYYGXXNIFR-KQTLUZQSSA-N 1 3 319.424 2.249 20 0 DEADHO CCN1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)[C@@H](C)C1 ZINC000291155501 222180421 /nfs/dbraw/zinc/18/04/21/222180421.db2.gz HRSBDJYKYLFKJP-LZWOXQAQSA-N 1 3 319.424 2.251 20 0 DEADHO C[NH+](C)CCCNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000411165182 227350515 /nfs/dbraw/zinc/35/05/15/227350515.db2.gz RKEJSQZLEIWXKM-UHFFFAOYSA-N 1 3 303.450 2.354 20 0 DEADHO C[C@H]1CCN[C@@H](C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000417833788 229118329 /nfs/dbraw/zinc/11/83/29/229118329.db2.gz UUVVXCDLLLDXSW-TVQRCGJNSA-N 1 3 315.339 2.491 20 0 DEADHO C[C@H]1C[C@H](NC(=O)NCC(C)(C)[NH3+])CCN1Cc1ccccc1 ZINC000417835118 229118758 /nfs/dbraw/zinc/11/87/58/229118758.db2.gz KNGBOERNYPAKTO-GOEBONIOSA-N 1 3 318.465 2.076 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)N(CCC[NH3+])Cc2ccccc2)CCN1C ZINC000417757248 229089106 /nfs/dbraw/zinc/08/91/06/229089106.db2.gz SXQYVWZYOADBFU-RDJZCZTQSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000418094245 229218456 /nfs/dbraw/zinc/21/84/56/229218456.db2.gz DNBACZFPEHKTMX-RRFJBIMHSA-N 1 3 310.486 2.018 20 0 DEADHO N[C@H](CNC(=O)NCCCCC[NH+]1CCCC1)c1ccccc1 ZINC000418223643 229275412 /nfs/dbraw/zinc/27/54/12/229275412.db2.gz XWCBYNYGXLCHGB-QGZVFWFLSA-N 1 3 318.465 2.252 20 0 DEADHO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CC1(O)CCN(C)CC1 ZINC000421839708 230008568 /nfs/dbraw/zinc/00/85/68/230008568.db2.gz XTOFNPLAOUXGKQ-GFCCVEGCSA-N 1 3 314.832 2.456 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(CN2CCCC2=O)cc1 ZINC000422722499 230176952 /nfs/dbraw/zinc/17/69/52/230176952.db2.gz YCYYQZXUSKKVRJ-MSOLQXFVSA-N 1 3 315.461 2.416 20 0 DEADHO CN(C)C(=O)C1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCCC1 ZINC000422729864 230180749 /nfs/dbraw/zinc/18/07/49/230180749.db2.gz LDLMWZMJVDVEKL-OWCLPIDISA-N 1 3 307.482 2.145 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000422837069 230234602 /nfs/dbraw/zinc/23/46/02/230234602.db2.gz LGASLQDREFRAON-UVBJJODRSA-N 1 3 305.397 2.191 20 0 DEADHO O=C(CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)N1CCCCCC1 ZINC000422849528 230242072 /nfs/dbraw/zinc/24/20/72/230242072.db2.gz UYKQTKZZIKIJKO-GVDBMIGSSA-N 1 3 307.482 2.289 20 0 DEADHO C[C@H]1CC[NH2+]C[C@@H]1NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000422858134 230246181 /nfs/dbraw/zinc/24/61/81/230246181.db2.gz IMONHOMYIUAWKO-GUYCJALGSA-N 1 3 319.424 2.018 20 0 DEADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422928209 230281161 /nfs/dbraw/zinc/28/11/61/230281161.db2.gz JNGZTLWZIHTOHN-OCCSQVGLSA-N 1 3 310.825 2.371 20 0 DEADHO C[C@H](N)C[C@H](C)[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000422958015 230294119 /nfs/dbraw/zinc/29/41/19/230294119.db2.gz WOYRRVLIPVXMKQ-KBPBESRZSA-N 1 3 310.486 2.209 20 0 DEADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000422960515 230295501 /nfs/dbraw/zinc/29/55/01/230295501.db2.gz WPJSEQDCAGBDQQ-YJBOKZPZSA-N 1 3 315.461 2.287 20 0 DEADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCOc1ccc(C(F)(F)F)cn1 ZINC000422995439 230310282 /nfs/dbraw/zinc/31/02/82/230310282.db2.gz XZYCQJWUBHBRND-AAEUAGOBSA-N 1 3 317.355 2.457 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](O)CCc1ccccc1 ZINC000423027363 230323231 /nfs/dbraw/zinc/32/32/31/230323231.db2.gz DDRMWVVKDNZYIT-KBXCAEBGSA-N 1 3 313.445 2.493 20 0 DEADHO Cc1ccccc1C[C@@H](CO)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423060644 230332759 /nfs/dbraw/zinc/33/27/59/230332759.db2.gz OUHAOCKIAHFRNY-QAPCUYQASA-N 1 3 313.445 2.411 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@H](C)Oc1ccc(Cl)cc1 ZINC000423072991 230336658 /nfs/dbraw/zinc/33/66/58/230336658.db2.gz IAPHPGUKNMDAAK-APYUEPQZSA-N 1 3 312.841 2.449 20 0 DEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000423073025 230337954 /nfs/dbraw/zinc/33/79/54/230337954.db2.gz ICTWIVUOUJUMTM-LEUOFYLZSA-N 1 3 306.425 2.399 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000423073025 230337957 /nfs/dbraw/zinc/33/79/57/230337957.db2.gz ICTWIVUOUJUMTM-LEUOFYLZSA-N 1 3 306.425 2.399 20 0 DEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@](C)(CO)c1ccccc1 ZINC000423099023 230349251 /nfs/dbraw/zinc/34/92/51/230349251.db2.gz AATPAXSSMNYMRA-VDGAXYAQSA-N 1 3 312.457 2.485 20 0 DEADHO O=C1C[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)[C@H]2CCCCN12 ZINC000423115546 230357043 /nfs/dbraw/zinc/35/70/43/230357043.db2.gz NMDZBIOKGUROHM-BPKGMFCQSA-N 1 3 305.466 2.040 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnc3ccccn23)C[C@H](C)O1 ZINC000195719218 424883125 /nfs/dbraw/zinc/88/31/25/424883125.db2.gz OVQRMHAOUAMJEE-IYBDPMFKSA-N 1 3 316.449 2.313 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC2CCN(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000648713646 424896573 /nfs/dbraw/zinc/89/65/73/424896573.db2.gz QPWBXQVOXTXHOT-CRAIPNDOSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC2CCN(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000648713646 424896577 /nfs/dbraw/zinc/89/65/77/424896577.db2.gz QPWBXQVOXTXHOT-CRAIPNDOSA-N 1 3 315.461 2.107 20 0 DEADHO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]3NCC3(C)C)cc21 ZINC000649338937 424996114 /nfs/dbraw/zinc/99/61/14/424996114.db2.gz OQOLLNURBQWFAO-INIZCTEOSA-N 1 3 314.433 2.139 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N(CC)CC ZINC000649363611 425000690 /nfs/dbraw/zinc/00/06/90/425000690.db2.gz IHAAQDAYYSFFJG-IXDOHACOSA-N 1 3 309.498 2.345 20 0 DEADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2ccc3c(c2)CCO3)C1 ZINC000650722069 425042197 /nfs/dbraw/zinc/04/21/97/425042197.db2.gz JYVRUMOABLQGFL-AOIWGVFYSA-N 1 3 316.445 2.482 20 0 DEADHO CC[N@H+](CCCNC(=O)NCCN(C)C1CC1)C1CCCCC1 ZINC000650868634 425070534 /nfs/dbraw/zinc/07/05/34/425070534.db2.gz LORGHXBAMHFJLG-UHFFFAOYSA-N 1 3 324.513 2.425 20 0 DEADHO CC[N@@H+](CCCNC(=O)NCCN(C)C1CC1)C1CCCCC1 ZINC000650868634 425070538 /nfs/dbraw/zinc/07/05/38/425070538.db2.gz LORGHXBAMHFJLG-UHFFFAOYSA-N 1 3 324.513 2.425 20 0 DEADHO COc1ccc(C)cc1CN1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000649411273 425013724 /nfs/dbraw/zinc/01/37/24/425013724.db2.gz AFRDCQRDPBTKSI-QGZVFWFLSA-N 1 3 317.477 2.121 20 0 DEADHO CC[N@H+](CCCNC(=O)N[C@@H](C)CN(C)C)C1CCCCC1 ZINC000651098893 425100599 /nfs/dbraw/zinc/10/05/99/425100599.db2.gz LCQVBFNMIVTPQS-HNNXBMFYSA-N 1 3 312.502 2.280 20 0 DEADHO CC[N@@H+](CCCNC(=O)N[C@@H](C)CN(C)C)C1CCCCC1 ZINC000651098893 425100602 /nfs/dbraw/zinc/10/06/02/425100602.db2.gz LCQVBFNMIVTPQS-HNNXBMFYSA-N 1 3 312.502 2.280 20 0 DEADHO COC[C@@H](CC(C)(C)C)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000651709365 425144068 /nfs/dbraw/zinc/14/40/68/425144068.db2.gz UFYFALXQTFKWRZ-JKSUJKDBSA-N 1 3 311.514 2.196 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000660636771 425184125 /nfs/dbraw/zinc/18/41/25/425184125.db2.gz VCRKIFLDWFHFKE-KRWDZBQOSA-N 1 3 324.513 2.426 20 0 DEADHO CC[C@@H]1CN(CCn2cccn2)CCN1c1[nH+]ccc2[nH]ccc21 ZINC000663563097 425187779 /nfs/dbraw/zinc/18/77/79/425187779.db2.gz XUYJHCQVZFXDBE-OAHLLOKOSA-N 1 3 324.432 2.360 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2nccc3[nH]ccc32)CC1 ZINC000663576333 425190170 /nfs/dbraw/zinc/19/01/70/425190170.db2.gz VOEYXJJZGYWHRC-OAHLLOKOSA-N 1 3 313.449 2.169 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CN1CCN(c2nccc3[nH]ccc32)CC1 ZINC000663576333 425190174 /nfs/dbraw/zinc/19/01/74/425190174.db2.gz VOEYXJJZGYWHRC-OAHLLOKOSA-N 1 3 313.449 2.169 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000660659707 425198170 /nfs/dbraw/zinc/19/81/70/425198170.db2.gz QDWBZXJNODACFM-CVEARBPZSA-N 1 3 324.513 2.423 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000660659707 425198171 /nfs/dbraw/zinc/19/81/71/425198171.db2.gz QDWBZXJNODACFM-CVEARBPZSA-N 1 3 324.513 2.423 20 0 DEADHO CC(C)CN(C)CCC[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000651865280 425150104 /nfs/dbraw/zinc/15/01/04/425150104.db2.gz SINHYMGCCFGRKA-UHFFFAOYSA-N 1 3 318.527 2.157 20 0 DEADHO C[C@@H](C(=O)N1CCc2sccc2C1)N1CCC(CC[NH3+])CC1 ZINC000652359379 425249321 /nfs/dbraw/zinc/24/93/21/425249321.db2.gz NYBUWLRCAWJMDS-ZDUSSCGKSA-N 1 3 321.490 2.082 20 0 DEADHO CCc1noc(C)c1CN1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652362813 425249563 /nfs/dbraw/zinc/24/95/63/425249563.db2.gz QFBQDOZTNVYSQQ-KBRIMQKVSA-N 1 3 307.438 2.406 20 0 DEADHO C[N@H+](CCNC(=O)NC[C@@H]1CCN1C(C)(C)C)C1CCCCC1 ZINC000663885371 425258758 /nfs/dbraw/zinc/25/87/58/425258758.db2.gz DHVUELOOJDOQGE-INIZCTEOSA-N 1 3 324.513 2.423 20 0 DEADHO C[N@@H+](CCNC(=O)NC[C@@H]1CCN1C(C)(C)C)C1CCCCC1 ZINC000663885371 425258763 /nfs/dbraw/zinc/25/87/63/425258763.db2.gz DHVUELOOJDOQGE-INIZCTEOSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCN1C ZINC000660859173 425260847 /nfs/dbraw/zinc/26/08/47/425260847.db2.gz WQAFVUNRCCPFIE-BZUAXINKSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CCN1C ZINC000660859173 425260849 /nfs/dbraw/zinc/26/08/49/425260849.db2.gz WQAFVUNRCCPFIE-BZUAXINKSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccnn2CC2CC2)C[C@@H](C)O1 ZINC000657367595 425318040 /nfs/dbraw/zinc/31/80/40/425318040.db2.gz QGIJEXGSZUDKEV-HZPDHXFCSA-N 1 3 320.481 2.272 20 0 DEADHO CCCn1nccc1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000657366872 425318703 /nfs/dbraw/zinc/31/87/03/425318703.db2.gz LHEOQQGRHIKJMC-IYBDPMFKSA-N 1 3 308.470 2.272 20 0 DEADHO O=C(NCCC[NH+]1CCCCC1)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654355899 425332749 /nfs/dbraw/zinc/33/27/49/425332749.db2.gz GQOKYOHMIVFZCN-IAGOWNOFSA-N 1 3 322.497 2.179 20 0 DEADHO CC[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)CO1 ZINC000657318199 425301896 /nfs/dbraw/zinc/30/18/96/425301896.db2.gz MVGXIVHXIZQQBI-OALUTQOASA-N 1 3 317.477 2.091 20 0 DEADHO CN(CCC[NH+](C)C)CCNc1cc[nH+]c2c([O-])cccc12 ZINC000664248496 425344557 /nfs/dbraw/zinc/34/45/57/425344557.db2.gz ZAJBJUQZKWDOLX-UHFFFAOYSA-N 1 3 302.422 2.236 20 0 DEADHO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000654405673 425345752 /nfs/dbraw/zinc/34/57/52/425345752.db2.gz ACNAMRXSIBRLOW-OAHLLOKOSA-N 1 3 312.502 2.233 20 0 DEADHO C[N@@H+]1CCC[C@H](CCNC(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000654591264 425393292 /nfs/dbraw/zinc/39/32/92/425393292.db2.gz YPCWWNNEXZMHDD-IXDOHACOSA-N 1 3 322.497 2.034 20 0 DEADHO C[N@H+]1CCC[C@H](CCNC(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000654591264 425393296 /nfs/dbraw/zinc/39/32/96/425393296.db2.gz YPCWWNNEXZMHDD-IXDOHACOSA-N 1 3 322.497 2.034 20 0 DEADHO C[NH+](C)C1CCC(NC(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000654596448 425394149 /nfs/dbraw/zinc/39/41/49/425394149.db2.gz PJNKHKDWLQVTDE-GQGLESIBSA-N 1 3 322.497 2.175 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654603648 425395781 /nfs/dbraw/zinc/39/57/81/425395781.db2.gz LPULHMMDDYGEBZ-DLBZAZTESA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654603648 425395784 /nfs/dbraw/zinc/39/57/84/425395784.db2.gz LPULHMMDDYGEBZ-DLBZAZTESA-N 1 3 324.513 2.280 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000653112313 425407148 /nfs/dbraw/zinc/40/71/48/425407148.db2.gz UYIWHWJBIJZQTJ-SJORKVTESA-N 1 3 303.450 2.104 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)N(C)C)cc1 ZINC000653112075 425407508 /nfs/dbraw/zinc/40/75/08/425407508.db2.gz LBXIONWUESQKSE-KURKYZTESA-N 1 3 315.461 2.245 20 0 DEADHO C[NH+](C)CCOc1ccc(CN[C@@H]2CCCn3nccc32)cc1 ZINC000657841682 425407676 /nfs/dbraw/zinc/40/76/76/425407676.db2.gz QNLZTOKEZOTPOF-QGZVFWFLSA-N 1 3 314.433 2.448 20 0 DEADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH2+]CC2)C1 ZINC000653121771 425410935 /nfs/dbraw/zinc/41/09/35/425410935.db2.gz BMBMICDUENZRGH-QZTJIDSGSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH2+]CC2)CN1Cc1ccccc1 ZINC000653121998 425411328 /nfs/dbraw/zinc/41/13/28/425411328.db2.gz IEYOKBKCYBZBER-KBAYOESNSA-N 1 3 315.461 2.155 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2COC3(CCC3)C2)[C@@H](C)C1 ZINC000657883941 425412702 /nfs/dbraw/zinc/41/27/02/425412702.db2.gz HMXKJPLJWAEQRB-ULQDDVLXSA-N 1 3 310.482 2.425 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2COC3(CCC3)C2)[C@@H](C)C1 ZINC000657883941 425412704 /nfs/dbraw/zinc/41/27/04/425412704.db2.gz HMXKJPLJWAEQRB-ULQDDVLXSA-N 1 3 310.482 2.425 20 0 DEADHO C[C@H](Cn1cncn1)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000657898980 425414436 /nfs/dbraw/zinc/41/44/36/425414436.db2.gz HPBPIFAXHCJWLB-HZPDHXFCSA-N 1 3 301.438 2.167 20 0 DEADHO C[C@H](Cn1cncn1)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000657898980 425414441 /nfs/dbraw/zinc/41/44/41/425414441.db2.gz HPBPIFAXHCJWLB-HZPDHXFCSA-N 1 3 301.438 2.167 20 0 DEADHO NC[C@@H](NC(=O)[C@H]1CCC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000653135594 425414608 /nfs/dbraw/zinc/41/46/08/425414608.db2.gz JKDKBYGOPQPYLT-MAUKXSAKSA-N 1 3 311.429 2.346 20 0 DEADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cc2ccncc2s1 ZINC000657884974 425414704 /nfs/dbraw/zinc/41/47/04/425414704.db2.gz AKIPHDYDWFDUKO-LBPRGKRZSA-N 1 3 305.447 2.404 20 0 DEADHO COc1cc(F)cc(CN[C@@H](C)CN(C)CCC[NH+](C)C)c1 ZINC000657573736 425368427 /nfs/dbraw/zinc/36/84/27/425368427.db2.gz ROEBGTZWFYRKDT-AWEZNQCLSA-N 1 3 311.445 2.196 20 0 DEADHO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)C1 ZINC000657595618 425371414 /nfs/dbraw/zinc/37/14/14/425371414.db2.gz IZFDPNUGEQXDLE-CEXWTWQISA-N 1 3 318.461 2.300 20 0 DEADHO CC[C@H]1CCC[C@@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664401412 425376552 /nfs/dbraw/zinc/37/65/52/425376552.db2.gz RUVOPVHBQIWCAU-JYJNAYRXSA-N 1 3 312.502 2.136 20 0 DEADHO CC[C@H]1CCC[C@@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664401412 425376555 /nfs/dbraw/zinc/37/65/55/425376555.db2.gz RUVOPVHBQIWCAU-JYJNAYRXSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@@H](C)O1 ZINC000657613828 425377458 /nfs/dbraw/zinc/37/74/58/425377458.db2.gz SEABFVSYEFCODB-IIDMSEBBSA-N 1 3 303.450 2.449 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653151823 425419826 /nfs/dbraw/zinc/41/98/26/425419826.db2.gz UTTJBULRJXUZAG-NJAFHUGGSA-N 1 3 315.461 2.013 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000654730188 425425525 /nfs/dbraw/zinc/42/55/25/425425525.db2.gz MPVRSASJZINSPM-BRWVUGGUSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000654729514 425425595 /nfs/dbraw/zinc/42/55/95/425425595.db2.gz UHPRKRCNVZFLIQ-IAGOWNOFSA-N 1 3 322.497 2.175 20 0 DEADHO CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654732773 425428393 /nfs/dbraw/zinc/42/83/93/425428393.db2.gz GFGBFBHXRHANLG-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000664648893 425431926 /nfs/dbraw/zinc/43/19/26/425431926.db2.gz MIIRZRKOOZPWGB-CVEARBPZSA-N 1 3 310.486 2.034 20 0 DEADHO Cc1ncc([C@@H](C)N[C@@H](C)CN(C)CCC[NH+](C)C)c(C)n1 ZINC000658106321 425439373 /nfs/dbraw/zinc/43/93/73/425439373.db2.gz BIUITBPDNRCGBB-UONOGXRCSA-N 1 3 307.486 2.016 20 0 DEADHO C[C@@H](CN(C)CCC[NH+](C)C)N[C@H]1CCCc2cccnc21 ZINC000658105670 425439980 /nfs/dbraw/zinc/43/99/80/425439980.db2.gz CIVLZHUUDJGAPV-RDJZCZTQSA-N 1 3 304.482 2.321 20 0 DEADHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccncc1 ZINC000658139680 425444656 /nfs/dbraw/zinc/44/46/56/425444656.db2.gz RAJKCQULEATOTP-DNVCBOLYSA-N 1 3 311.429 2.499 20 0 DEADHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccncc1 ZINC000658139680 425444657 /nfs/dbraw/zinc/44/46/57/425444657.db2.gz RAJKCQULEATOTP-DNVCBOLYSA-N 1 3 311.429 2.499 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]3C)CC2)CC1 ZINC000654846973 425454141 /nfs/dbraw/zinc/45/41/41/425454141.db2.gz SKPHKDYVINDGBL-OAHLLOKOSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1CN(C2CC2)C[C@@H]1N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254598 425528984 /nfs/dbraw/zinc/52/89/84/425528984.db2.gz UTIPSLTWPOQCOY-CJODITQLSA-N 1 3 317.452 2.344 20 0 DEADHO C[C@@H]1COCC[C@H]1N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665253180 425529508 /nfs/dbraw/zinc/52/95/08/425529508.db2.gz JHRXXRUJYHCQGN-MCPWVCTESA-N 1 3 310.388 2.425 20 0 DEADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2CCCOCC2)cc1F ZINC000665259533 425531090 /nfs/dbraw/zinc/53/10/90/425531090.db2.gz IKFYKWWGXXYFND-VYDXJSESSA-N 1 3 322.424 2.439 20 0 DEADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H](C)CCCCO)cc1F ZINC000665259945 425532448 /nfs/dbraw/zinc/53/24/48/425532448.db2.gz WCGMQBSRBKPUAG-QRTARXTBSA-N 1 3 324.440 2.421 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCN2C(C)(C)C)[C@@H](C)C1 ZINC000665363341 425554250 /nfs/dbraw/zinc/55/42/50/425554250.db2.gz XUDZZKKRZYKLSF-JYJNAYRXSA-N 1 3 324.513 2.231 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCN2C(C)(C)C)[C@@H](C)C1 ZINC000665363341 425554253 /nfs/dbraw/zinc/55/42/53/425554253.db2.gz XUDZZKKRZYKLSF-JYJNAYRXSA-N 1 3 324.513 2.231 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000665365715 425554313 /nfs/dbraw/zinc/55/43/13/425554313.db2.gz JUXMBSZRURLQFU-OAHLLOKOSA-N 1 3 324.513 2.375 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000665365715 425554317 /nfs/dbraw/zinc/55/43/17/425554317.db2.gz JUXMBSZRURLQFU-OAHLLOKOSA-N 1 3 324.513 2.375 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000655410711 425557354 /nfs/dbraw/zinc/55/73/54/425557354.db2.gz AIAXHDSEEOQQEX-ZACQAIPSSA-N 1 3 307.482 2.384 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000655410711 425557359 /nfs/dbraw/zinc/55/73/59/425557359.db2.gz AIAXHDSEEOQQEX-ZACQAIPSSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N(C)CC(C)(C)[NH3+])CN1Cc1ccccc1 ZINC000659468664 425610609 /nfs/dbraw/zinc/61/06/09/425610609.db2.gz DBAVYQLYQORJJR-ZBFHGGJFSA-N 1 3 318.465 2.028 20 0 DEADHO O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CCN(CC2CCCCC2)CC1 ZINC000655443380 425568179 /nfs/dbraw/zinc/56/81/79/425568179.db2.gz IBXFDAPZLCKLJE-HKUYNNGSSA-N 1 3 319.493 2.101 20 0 DEADHO [NH3+][C@@H]1CCc2ncc(NC(=O)C[C@@H]3NCc4ccccc43)cc2C1 ZINC000659302250 425571735 /nfs/dbraw/zinc/57/17/35/425571735.db2.gz OIWJMFGUYATNHM-KDOFPFPSSA-N 1 3 322.412 2.071 20 0 DEADHO Cc1cc(CN(C)C)cc(NC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)c1 ZINC000655469973 425575551 /nfs/dbraw/zinc/57/55/51/425575551.db2.gz GFKQYEWOELGKIJ-SJLPKXTDSA-N 1 3 301.434 2.385 20 0 DEADHO O[C@@H]1CC[N@@H+](C2CCN(C[C@@H]3CCc4ccccc4C3)CC2)C1 ZINC000662152440 425577498 /nfs/dbraw/zinc/57/74/98/425577498.db2.gz DOELZRBTSZNFHT-OXQOHEQNSA-N 1 3 314.473 2.323 20 0 DEADHO O[C@@H]1CC[N@H+](C2CCN(C[C@@H]3CCc4ccccc4C3)CC2)C1 ZINC000662152440 425577500 /nfs/dbraw/zinc/57/75/00/425577500.db2.gz DOELZRBTSZNFHT-OXQOHEQNSA-N 1 3 314.473 2.323 20 0 DEADHO Fc1ccc(C[C@@H]2CC[N@H+](C[C@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662254239 425602825 /nfs/dbraw/zinc/60/28/25/425602825.db2.gz GDDVQCYNCMKGTR-DOTOQJQBSA-N 1 3 304.409 2.211 20 0 DEADHO Fc1ccc(C[C@@H]2CC[N@@H+](C[C@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662254239 425602827 /nfs/dbraw/zinc/60/28/27/425602827.db2.gz GDDVQCYNCMKGTR-DOTOQJQBSA-N 1 3 304.409 2.211 20 0 DEADHO [NH3+]C[C@H](NC(=O)c1cc2c(s1)CCNC2)C1CCCCC1 ZINC000662416949 425645690 /nfs/dbraw/zinc/64/56/90/425645690.db2.gz GVMVFNDLTFHXHV-ZDUSSCGKSA-N 1 3 307.463 2.031 20 0 DEADHO CCCCN(C)C[C@@H](C)[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000655768327 425649573 /nfs/dbraw/zinc/64/95/73/425649573.db2.gz VSAUEHUJTTVKDX-SJLPKXTDSA-N 1 3 311.514 2.340 20 0 DEADHO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cccc3c2CNC3)C1 ZINC000662482154 425662524 /nfs/dbraw/zinc/66/25/24/425662524.db2.gz TVJJLPGHCFQSMF-CQSZACIVSA-N 1 3 301.434 2.094 20 0 DEADHO CN[C@@H](C)C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000662507166 425668553 /nfs/dbraw/zinc/66/85/53/425668553.db2.gz PRDQRZATBWLTOS-VYDXJSESSA-N 1 3 303.450 2.011 20 0 DEADHO CN[C@@H](C)C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000662507166 425668559 /nfs/dbraw/zinc/66/85/59/425668559.db2.gz PRDQRZATBWLTOS-VYDXJSESSA-N 1 3 303.450 2.011 20 0 DEADHO C[NH+](C)CCC1CCN([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000659852924 425669830 /nfs/dbraw/zinc/66/98/30/425669830.db2.gz QXYUQCMWIMIIBG-YESZJQIVSA-N 1 3 307.482 2.097 20 0 DEADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(CCOCc2ccccc2)CC1 ZINC000662281338 425612501 /nfs/dbraw/zinc/61/25/01/425612501.db2.gz JQOCHOIWMXNQKP-MOPGFXCFSA-N 1 3 318.461 2.422 20 0 DEADHO CC[C@H]1CCCCN1C(=O)CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290597 425614429 /nfs/dbraw/zinc/61/44/29/425614429.db2.gz YHIPYSYKSZGVNC-ROUUACIJSA-N 1 3 321.509 2.489 20 0 DEADHO OCC1([NH2+]CCSc2cccc(Cl)c2)CCNCC1 ZINC000662285113 425614847 /nfs/dbraw/zinc/61/48/47/425614847.db2.gz WZNRNJFZHKIOAM-UHFFFAOYSA-N 1 3 300.855 2.136 20 0 DEADHO O=C(CN1CCC[C@@H](C2CC[NH2+]CC2)C1)NCc1ccccc1 ZINC000662296148 425615684 /nfs/dbraw/zinc/61/56/84/425615684.db2.gz WTOZAMVPXBFGCK-GOSISDBHSA-N 1 3 315.461 2.014 20 0 DEADHO C[C@@H]1[C@H](NC(=O)N(C)CC(C)(C)[NH3+])CCN1Cc1ccccc1 ZINC000659492560 425615778 /nfs/dbraw/zinc/61/57/78/425615778.db2.gz GFYJEABIEGFBQP-GDBMZVCRSA-N 1 3 318.465 2.028 20 0 DEADHO CC[C@H]1CCCCN1C(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292933 425616222 /nfs/dbraw/zinc/61/62/22/425616222.db2.gz CDCPYVIWEOZSES-ROUUACIJSA-N 1 3 321.509 2.489 20 0 DEADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cccc2c1C[NH2+]C2 ZINC000662341098 425627727 /nfs/dbraw/zinc/62/77/27/425627727.db2.gz LGLMYJUIMLOIDR-QGZVFWFLSA-N 1 3 321.424 2.294 20 0 DEADHO CC(C)[C@H](C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)N1CCCC1 ZINC000655687446 425627854 /nfs/dbraw/zinc/62/78/54/425627854.db2.gz PIVKKEIYKHKGSG-OALUTQOASA-N 1 3 323.525 2.340 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000662396725 425642227 /nfs/dbraw/zinc/64/22/27/425642227.db2.gz HDMQZSXJTSOTEL-WMZOPIPTSA-N 1 3 313.445 2.308 20 0 DEADHO CCCc1ccc2nccc(N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)c2c1 ZINC000656219410 425735633 /nfs/dbraw/zinc/73/56/33/425735633.db2.gz WYNDWJXBEXHCGP-JKSUJKDBSA-N 1 3 311.429 2.443 20 0 DEADHO CCCc1ccc2nccc(N3CC[N@H+]4C[C@H](O)C[C@H]4C3)c2c1 ZINC000656219410 425735638 /nfs/dbraw/zinc/73/56/38/425735638.db2.gz WYNDWJXBEXHCGP-JKSUJKDBSA-N 1 3 311.429 2.443 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662792352 425736770 /nfs/dbraw/zinc/73/67/70/425736770.db2.gz FMGIHILTQQPTEW-HYVNUMGLSA-N 1 3 315.461 2.011 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000662811663 425742691 /nfs/dbraw/zinc/74/26/91/425742691.db2.gz ABFAVZMYYSPKKE-SZMVWBNQSA-N 1 3 313.445 2.212 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000662811661 425742759 /nfs/dbraw/zinc/74/27/59/425742759.db2.gz ABFAVZMYYSPKKE-NJAFHUGGSA-N 1 3 313.445 2.212 20 0 DEADHO C[C@H](CC(=O)N[C@@H]1CCCN2CCCC[C@@H]12)[C@@H]1CCC[NH2+]C1 ZINC000662837224 425743382 /nfs/dbraw/zinc/74/33/82/425743382.db2.gz HJPAPYOUVQMUHR-VQHPVUNQSA-N 1 3 307.482 2.145 20 0 DEADHO CO[C@@H](C[NH+]1CCC(N(C)C[C@@H](C)O)CC1)C1CCCCC1 ZINC000659897129 425683295 /nfs/dbraw/zinc/68/32/95/425683295.db2.gz STOYNUHANZDBAA-QAPCUYQASA-N 1 3 312.498 2.359 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662593274 425689538 /nfs/dbraw/zinc/68/95/38/425689538.db2.gz NDTMFPGYSCQEDZ-RHSMWYFYSA-N 1 3 315.461 2.458 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662593274 425689541 /nfs/dbraw/zinc/68/95/41/425689541.db2.gz NDTMFPGYSCQEDZ-RHSMWYFYSA-N 1 3 315.461 2.458 20 0 DEADHO O=C(c1ccc2c(c1)CNC2)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662592179 425689575 /nfs/dbraw/zinc/68/95/75/425689575.db2.gz YFKRWQRPWOCVDT-MRXNPFEDSA-N 1 3 313.445 2.142 20 0 DEADHO CN(CC(C)(C)[NH3+])C(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000662606330 425691826 /nfs/dbraw/zinc/69/18/26/425691826.db2.gz NUCAZFYMTBLLJM-UHFFFAOYSA-N 1 3 317.477 2.484 20 0 DEADHO C[C@H]1C[C@H](C)C[NH+](CCN2CCN(CC3CCOCC3)CC2)C1 ZINC000659937959 425694355 /nfs/dbraw/zinc/69/43/55/425694355.db2.gz GYLLTVQZTDZEGO-ROUUACIJSA-N 1 3 323.525 2.009 20 0 DEADHO CO[C@@H](C[NH+]1CCC(N(C)CCCO)CC1)C1CCCCC1 ZINC000659930761 425694370 /nfs/dbraw/zinc/69/43/70/425694370.db2.gz FXOCTJKEWBALBP-SFHVURJKSA-N 1 3 312.498 2.360 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCN(CC3CCOCC3)CC2)C1 ZINC000659937954 425694515 /nfs/dbraw/zinc/69/45/15/425694515.db2.gz GYLLTVQZTDZEGO-QZTJIDSGSA-N 1 3 323.525 2.009 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cccc3c2CCNC3)C1 ZINC000662729974 425723695 /nfs/dbraw/zinc/72/36/95/425723695.db2.gz XOXPOYYAXFGSEW-OAHLLOKOSA-N 1 3 315.461 2.040 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cccc3c2CCNC3)C1 ZINC000662729974 425723698 /nfs/dbraw/zinc/72/36/98/425723698.db2.gz XOXPOYYAXFGSEW-OAHLLOKOSA-N 1 3 315.461 2.040 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc3c2CCNC3)C[C@H]1C ZINC000662742294 425726401 /nfs/dbraw/zinc/72/64/01/425726401.db2.gz CQDAMQKBMUNJRY-ZBFHGGJFSA-N 1 3 315.461 2.277 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc3c2CCNC3)C[C@H]1C ZINC000662742294 425726404 /nfs/dbraw/zinc/72/64/04/425726404.db2.gz CQDAMQKBMUNJRY-ZBFHGGJFSA-N 1 3 315.461 2.277 20 0 DEADHO C[C@H]1CCN(CCNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)C1 ZINC000662744679 425726975 /nfs/dbraw/zinc/72/69/75/425726975.db2.gz COBWYFCPEAHTFQ-YOEHRIQHSA-N 1 3 315.461 2.137 20 0 DEADHO [NH3+][C@H]1CCC[C@H](NCc2ccccc2CN2CCCC2=O)C1 ZINC000656193121 425727252 /nfs/dbraw/zinc/72/72/52/425727252.db2.gz PTCBQQVRRKTPDK-IRXDYDNUSA-N 1 3 301.434 2.169 20 0 DEADHO CC[C@@H](CC(F)F)C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000660057707 425727390 /nfs/dbraw/zinc/72/73/90/425727390.db2.gz QGVOEBTWXCQVQA-ZDUSSCGKSA-N 1 3 319.440 2.058 20 0 DEADHO N[C@@H]1CCC[C@H]([NH2+]CCCN2CCN(c3ccccc3)CC2)C1 ZINC000656197140 425728075 /nfs/dbraw/zinc/72/80/75/425728075.db2.gz IOCSZHYDKBVJLS-MSOLQXFVSA-N 1 3 316.493 2.058 20 0 DEADHO CC1(C)CCCN[C@H]1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000662971054 425769072 /nfs/dbraw/zinc/76/90/72/425769072.db2.gz BDUVHGZSFAHYEA-INIZCTEOSA-N 1 3 307.482 2.003 20 0 DEADHO CCN1CC[C@@H](N2CCC(CCC[NH+](CC)CC)CC2)C1=O ZINC000660241943 425773538 /nfs/dbraw/zinc/77/35/38/425773538.db2.gz HNSOSTSGGLXOEP-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000660402470 425808825 /nfs/dbraw/zinc/80/88/25/425808825.db2.gz HGVOHSWKBKEURF-DLBZAZTESA-N 1 3 324.513 2.425 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000660402470 425808828 /nfs/dbraw/zinc/80/88/28/425808828.db2.gz HGVOHSWKBKEURF-DLBZAZTESA-N 1 3 324.513 2.425 20 0 DEADHO CO[C@H](CN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1CCCC1 ZINC000660141005 425750599 /nfs/dbraw/zinc/75/05/99/425750599.db2.gz QGHAKPITWDIINS-RTBURBONSA-N 1 3 323.525 2.292 20 0 DEADHO CO[C@H](CN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)C1CCCC1 ZINC000660141005 425750601 /nfs/dbraw/zinc/75/06/01/425750601.db2.gz QGHAKPITWDIINS-RTBURBONSA-N 1 3 323.525 2.292 20 0 DEADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC1CSC1 ZINC000666432369 425751546 /nfs/dbraw/zinc/75/15/46/425751546.db2.gz ZWFABHYOOXVMCD-NVXWUHKLSA-N 1 3 306.475 2.229 20 0 DEADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC1CSC1 ZINC000666432369 425751549 /nfs/dbraw/zinc/75/15/49/425751549.db2.gz ZWFABHYOOXVMCD-NVXWUHKLSA-N 1 3 306.475 2.229 20 0 DEADHO CC(C)N1CCN(C2CC[NH+](C[C@H]3CCC[C@H](O)C3)CC2)CC1 ZINC000660151671 425751708 /nfs/dbraw/zinc/75/17/08/425751708.db2.gz VJXHKCVUICTLOB-HKUYNNGSSA-N 1 3 323.525 2.028 20 0 DEADHO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000666477028 425760803 /nfs/dbraw/zinc/76/08/03/425760803.db2.gz PMIGRRWNNADWLT-DOTOQJQBSA-N 1 3 306.450 2.220 20 0 DEADHO C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000666477028 425760805 /nfs/dbraw/zinc/76/08/05/425760805.db2.gz PMIGRRWNNADWLT-DOTOQJQBSA-N 1 3 306.450 2.220 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC[C@H](N2CCOCC2)CC1 ZINC000660476451 425819164 /nfs/dbraw/zinc/81/91/64/425819164.db2.gz YNEPUDOZCSCTOE-RBUKOAKNSA-N 1 3 323.525 2.436 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1CN1CCC[C@H](N2CCOCC2)CC1 ZINC000660476451 425819165 /nfs/dbraw/zinc/81/91/65/425819165.db2.gz YNEPUDOZCSCTOE-RBUKOAKNSA-N 1 3 323.525 2.436 20 0 DEADHO CCN1CCN(CCNc2c(C)c(C)[nH+]c3ccccc32)CC1 ZINC000663400074 425835483 /nfs/dbraw/zinc/83/54/83/425835483.db2.gz XIEFUAOPYGAWBK-UHFFFAOYSA-N 1 3 312.461 2.323 20 0 DEADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccccc1 ZINC000663402167 425835876 /nfs/dbraw/zinc/83/58/76/425835876.db2.gz IPLNLZGASSKDCD-JKSUJKDBSA-N 1 3 320.481 2.319 20 0 DEADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccccc1 ZINC000663402167 425835878 /nfs/dbraw/zinc/83/58/78/425835878.db2.gz IPLNLZGASSKDCD-JKSUJKDBSA-N 1 3 320.481 2.319 20 0 DEADHO CCc1ccc2nccc(NCCC[NH+]3CCC(O)CC3)c2c1 ZINC000663402518 425835899 /nfs/dbraw/zinc/83/58/99/425835899.db2.gz JWWAUTURSCVRJZ-UHFFFAOYSA-N 1 3 313.445 2.478 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000237409581 268598682 /nfs/dbraw/zinc/59/86/82/268598682.db2.gz OILKKOVOQPIGEQ-DNVCBOLYSA-N 1 3 315.461 2.328 20 0 DEADHO CCC(CC)(C[NH3+])C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000390009800 269097130 /nfs/dbraw/zinc/09/71/30/269097130.db2.gz YOONZFXHWLLEKT-NVXWUHKLSA-N 1 3 317.477 2.388 20 0 DEADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)C1CCC1 ZINC000399021457 269110726 /nfs/dbraw/zinc/11/07/26/269110726.db2.gz IFOSJTDLJFABFG-AEFFLSMTSA-N 1 3 315.461 2.094 20 0 DEADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)C1CCC1 ZINC000399021457 269110728 /nfs/dbraw/zinc/11/07/28/269110728.db2.gz IFOSJTDLJFABFG-AEFFLSMTSA-N 1 3 315.461 2.094 20 0 DEADHO CC(C)([NH3+])CN[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000401125637 269112193 /nfs/dbraw/zinc/11/21/93/269112193.db2.gz NPJYUCJDCMBOHT-MGPQQGTHSA-N 1 3 311.470 2.349 20 0 DEADHO CC(C)COC(=O)N1CCC([NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000495931540 269186294 /nfs/dbraw/zinc/18/62/94/269186294.db2.gz GJPWTAVDZNULSC-ZBFHGGJFSA-N 1 3 311.470 2.351 20 0 DEADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]CC3(CN)CC3)C[C@H]2C1 ZINC000497228590 269295214 /nfs/dbraw/zinc/29/52/14/269295214.db2.gz AJPSEEHZOGWCBN-KKUMJFAQSA-N 1 3 323.481 2.351 20 0 DEADHO COC(=O)N1CCC(CN[C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000497085091 269284949 /nfs/dbraw/zinc/28/49/49/269284949.db2.gz WQLMDUWRXRVEES-GOEBONIOSA-N 1 3 311.470 2.365 20 0 DEADHO CN1CC=C(C[NH2+]C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000497302608 269299926 /nfs/dbraw/zinc/29/99/26/269299926.db2.gz DYZMMLQZYQQBKR-UHFFFAOYSA-N 1 3 321.465 2.237 20 0 DEADHO Cc1ncncc1[C@H](C)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000514615006 269325136 /nfs/dbraw/zinc/32/51/36/269325136.db2.gz REPUITPCXGTGBX-KKUMJFAQSA-N 1 3 306.454 2.325 20 0 DEADHO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000514722162 269329175 /nfs/dbraw/zinc/32/91/75/269329175.db2.gz SUBVIEJIQJCSSV-PRHODGIISA-N 1 3 301.312 2.101 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000518358368 269398672 /nfs/dbraw/zinc/39/86/72/269398672.db2.gz KJJVKAXZNBBPNN-IAGOWNOFSA-N 1 3 303.450 2.137 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000518358368 269398673 /nfs/dbraw/zinc/39/86/73/269398673.db2.gz KJJVKAXZNBBPNN-IAGOWNOFSA-N 1 3 303.450 2.137 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000339470203 287681626 /nfs/dbraw/zinc/68/16/26/287681626.db2.gz PYDDSUMBQVZXCM-BFYDXBDKSA-N 1 3 307.482 2.050 20 0 DEADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1cn2c(n1)SCC2 ZINC000423074305 274237820 /nfs/dbraw/zinc/23/78/20/274237820.db2.gz UKRLJMFPOILZSO-CZUORRHYSA-N 1 3 316.474 2.079 20 0 DEADHO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2C[C@@H](C)NC[C@H]2C)cc1 ZINC000418353918 276056403 /nfs/dbraw/zinc/05/64/03/276056403.db2.gz NZHBWTCLXKQVQV-CPUCHLNUSA-N 1 3 318.465 2.202 20 0 DEADHO CCN(CCNC(=O)NCCC[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000245389899 276127263 /nfs/dbraw/zinc/12/72/63/276127263.db2.gz JXGABKYZWOHQOG-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO CCN(CCNC(=O)NCCC[N@@H+]1CCCC[C@H]1C)C1CC1 ZINC000245389899 276127261 /nfs/dbraw/zinc/12/72/61/276127261.db2.gz JXGABKYZWOHQOG-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO COC[C@]1(CN[C@H]2CC[N@H+](C)C[C@H]2C)OCCc2ccccc21 ZINC000353562406 277269562 /nfs/dbraw/zinc/26/95/62/277269562.db2.gz CFBNARPSTKMHII-MNEFBYGVSA-N 1 3 318.461 2.031 20 0 DEADHO COC[C@]1(CN[C@H]2CC[N@@H+](C)C[C@H]2C)OCCc2ccccc21 ZINC000353562406 277269563 /nfs/dbraw/zinc/26/95/63/277269563.db2.gz CFBNARPSTKMHII-MNEFBYGVSA-N 1 3 318.461 2.031 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000418237934 277438851 /nfs/dbraw/zinc/43/88/51/277438851.db2.gz OKBHGFJTKVPDKE-SJORKVTESA-N 1 3 324.513 2.267 20 0 DEADHO C[C@@H](CNC(=O)N1CCCC[C@@H]1C[NH3+])N(C)Cc1ccccc1 ZINC000417561703 278271446 /nfs/dbraw/zinc/27/14/46/278271446.db2.gz BKCHSXDOXXYYPP-DOTOQJQBSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361496747 288078478 /nfs/dbraw/zinc/07/84/78/288078478.db2.gz MVIKYEXWWLADJU-SOLBZPMBSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361496747 288078480 /nfs/dbraw/zinc/07/84/80/288078480.db2.gz MVIKYEXWWLADJU-SOLBZPMBSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]CC1(N(C)C)Cc2ccccc2C1 ZINC000361763500 288079251 /nfs/dbraw/zinc/07/92/51/288079251.db2.gz FAXCCTWZSWDKDD-CRAIPNDOSA-N 1 3 301.478 2.015 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000418232427 278979900 /nfs/dbraw/zinc/97/99/00/278979900.db2.gz DPQYNPCQBFDEFM-YESZJQIVSA-N 1 3 324.513 2.266 20 0 DEADHO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000418343347 279139504 /nfs/dbraw/zinc/13/95/04/279139504.db2.gz FPLDAWGQAHLNAO-SJORKVTESA-N 1 3 320.481 2.482 20 0 DEADHO C[C@H](C(=O)N1CCCCCC1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420335876 279191437 /nfs/dbraw/zinc/19/14/37/279191437.db2.gz HZCAAYOOJKMDJP-ZACQAIPSSA-N 1 3 307.482 2.099 20 0 DEADHO CCN(CCNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)C1CC1 ZINC000417434277 279194004 /nfs/dbraw/zinc/19/40/04/279194004.db2.gz XALXLPLFTJABPX-DOTOQJQBSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000359325253 279233219 /nfs/dbraw/zinc/23/32/19/279233219.db2.gz SOOBLDXTECAVLM-QXSJWSMHSA-N 1 3 307.482 2.381 20 0 DEADHO C[C@H](C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000359325253 279233220 /nfs/dbraw/zinc/23/32/20/279233220.db2.gz SOOBLDXTECAVLM-QXSJWSMHSA-N 1 3 307.482 2.381 20 0 DEADHO CCN1CCC([N@@H+]2CCCN(C[C@@H]3CCC(C)(C)O3)CC2)CC1 ZINC000420984345 279258496 /nfs/dbraw/zinc/25/84/96/279258496.db2.gz SNNMFSSYDMOWQB-SFHVURJKSA-N 1 3 323.525 2.436 20 0 DEADHO CCN1CCC([N@H+]2CCCN(C[C@@H]3CCC(C)(C)O3)CC2)CC1 ZINC000420984345 279258498 /nfs/dbraw/zinc/25/84/98/279258498.db2.gz SNNMFSSYDMOWQB-SFHVURJKSA-N 1 3 323.525 2.436 20 0 DEADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](C)CC(=O)N(C)C)c1 ZINC000177978947 279384396 /nfs/dbraw/zinc/38/43/96/279384396.db2.gz OCFRRADTXDMYTE-HNNXBMFYSA-N 1 3 305.466 2.483 20 0 DEADHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H](C)CC(=O)N(C)C)c1 ZINC000177978947 279384398 /nfs/dbraw/zinc/38/43/98/279384398.db2.gz OCFRRADTXDMYTE-HNNXBMFYSA-N 1 3 305.466 2.483 20 0 DEADHO FC(F)(F)OCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423074988 279438751 /nfs/dbraw/zinc/43/87/51/279438751.db2.gz VWGKQCKVCDORFS-TZMCWYRMSA-N 1 3 316.323 2.368 20 0 DEADHO C[C@@H]1CN(CC2CC[NH+](CC3CCOCC3)CC2)C[C@@H](C)O1 ZINC000112697556 288152903 /nfs/dbraw/zinc/15/29/03/288152903.db2.gz FXABHANNOCCEKE-HZPDHXFCSA-N 1 3 310.482 2.234 20 0 DEADHO CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000236936257 280123501 /nfs/dbraw/zinc/12/35/01/280123501.db2.gz QDHCWMXNJJLVBZ-NFAWXSAZSA-N 1 3 309.479 2.375 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)N1CCCCC1 ZINC000360083960 280137178 /nfs/dbraw/zinc/13/71/78/280137178.db2.gz HREGAJQDKIFUJG-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)N1CCCCC1 ZINC000360083960 280137183 /nfs/dbraw/zinc/13/71/83/280137183.db2.gz HREGAJQDKIFUJG-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)N1CCCCC1 ZINC000342715941 280164686 /nfs/dbraw/zinc/16/46/86/280164686.db2.gz PYKLZRZJSYTPSS-VVLHAWIVSA-N 1 3 307.482 2.083 20 0 DEADHO C[C@]1(c2ccccc2)CC[C@@H](N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000414771658 280173315 /nfs/dbraw/zinc/17/33/15/280173315.db2.gz PZLGOIIUEKTERX-AQNXPRMDSA-N 1 3 313.489 2.476 20 0 DEADHO CC(C)[C@H](CNC(=O)N[C@@H](C)CN(C)C)[NH+]1CCCCCC1 ZINC000350255749 280246742 /nfs/dbraw/zinc/24/67/42/280246742.db2.gz TXKUURKTYRFFLU-HOTGVXAUSA-N 1 3 312.502 2.136 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000417700952 280249584 /nfs/dbraw/zinc/24/95/84/280249584.db2.gz LWCOJPOIBRHSNC-OAGGEKHMSA-N 1 3 310.486 2.162 20 0 DEADHO CN(C)C/C=C\C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000492922169 282023464 /nfs/dbraw/zinc/02/34/64/282023464.db2.gz KFKBFLHKSTVDQB-CVXMMYKXSA-N 1 3 315.461 2.304 20 0 DEADHO CN(C)C/C=C\C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000492922169 282023467 /nfs/dbraw/zinc/02/34/67/282023467.db2.gz KFKBFLHKSTVDQB-CVXMMYKXSA-N 1 3 315.461 2.304 20 0 DEADHO CN(C)C1(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CCC1 ZINC000446620822 282032374 /nfs/dbraw/zinc/03/23/74/282032374.db2.gz SOWNRKDDXOSTSE-INIZCTEOSA-N 1 3 322.497 2.131 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@]2(C)CCCCN2)C1 ZINC000357795386 288476445 /nfs/dbraw/zinc/47/64/45/288476445.db2.gz DNIVWVJTOIRWAN-NUJGCVRESA-N 1 3 309.498 2.393 20 0 DEADHO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CCN2CCCCC2)C[C@H](C)O1 ZINC000122935609 297019072 /nfs/dbraw/zinc/01/90/72/297019072.db2.gz OIQXTEKMCDXGIM-KSZLIROESA-N 1 3 309.498 2.046 20 0 DEADHO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2CCN2CCCCC2)C[C@H](C)O1 ZINC000122935609 297019074 /nfs/dbraw/zinc/01/90/74/297019074.db2.gz OIQXTEKMCDXGIM-KSZLIROESA-N 1 3 309.498 2.046 20 0 DEADHO COc1ccc(CC[NH2+][C@H]2CCCC[C@H]2CN)c(OC)c1OC ZINC000422698851 295122043 /nfs/dbraw/zinc/12/20/43/295122043.db2.gz BKFYGUABHLUHAB-GJZGRUSLSA-N 1 3 322.449 2.362 20 0 DEADHO COc1ccc([C@@H](CNC(=O)CC[C@H](C)[NH3+])N2CCCC2)cc1 ZINC000193290734 295212882 /nfs/dbraw/zinc/21/28/82/295212882.db2.gz MMGGMDKFCSYGOQ-WMLDXEAASA-N 1 3 319.449 2.076 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423647601 295330302 /nfs/dbraw/zinc/33/03/02/295330302.db2.gz XZYDYHWJJPSNGR-IAGOWNOFSA-N 1 3 307.482 2.132 20 0 DEADHO O=C(C1C[NH+](C2CCCCC2)C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000457561429 295454008 /nfs/dbraw/zinc/45/40/08/295454008.db2.gz ZVEUYEVCXUPSET-GOSISDBHSA-N 1 3 319.493 2.338 20 0 DEADHO O=C1CCCCCN1CCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422758152 304624817 /nfs/dbraw/zinc/62/48/17/304624817.db2.gz NPFRZEDSMSOCHL-BRWVUGGUSA-N 1 3 307.482 2.289 20 0 DEADHO C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000415086164 298894004 /nfs/dbraw/zinc/89/40/04/298894004.db2.gz JHNBPUFCRPAKHX-DJIMGWMZSA-N 1 3 307.482 2.288 20 0 DEADHO C[C@H]1CN(CC2CCN(CC[NH2+]C(C)(C)C)CC2)C[C@H](C)O1 ZINC000414698015 300252300 /nfs/dbraw/zinc/25/23/00/300252300.db2.gz XCAOYNJAVTXMTN-HOTGVXAUSA-N 1 3 311.514 2.196 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)N(C)C)cc1 ZINC000280948230 301716117 /nfs/dbraw/zinc/71/61/17/301716117.db2.gz XBFFZXFWSRUFFY-ZHALLVOQSA-N 1 3 315.461 2.104 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H]([NH3+])C(C)C)N2CCCC2)cc1 ZINC000166323162 301795088 /nfs/dbraw/zinc/79/50/88/301795088.db2.gz OFZWODRRYHMMPL-IRXDYDNUSA-N 1 3 303.450 2.231 20 0 DEADHO Cc1cccc2c(CC[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)N)c[nH]c21 ZINC000422777449 302053597 /nfs/dbraw/zinc/05/35/97/302053597.db2.gz FZVUPLRPDUZHEO-KBRIMQKVSA-N 1 3 301.434 2.361 20 0 DEADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NC(C)(C)C[NH3+])N(C)C ZINC000418189406 302138790 /nfs/dbraw/zinc/13/87/90/302138790.db2.gz VLSZJTRXORLFEA-DZGCQCFKSA-N 1 3 306.454 2.023 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)/C=C\C[NH+](C)C)N(C)C ZINC000491964761 302200225 /nfs/dbraw/zinc/20/02/25/302200225.db2.gz OFQNXPPXYKGYNS-FLTXUVOLSA-N 1 3 303.450 2.220 20 0 DEADHO Cc1ccncc1CCC[N@@H+](C)CCCN(C)CCN(C)C ZINC000290265943 302288803 /nfs/dbraw/zinc/28/88/03/302288803.db2.gz XGYVNNSFSSVKAK-UHFFFAOYSA-N 1 3 306.498 2.138 20 0 DEADHO Cc1ccncc1CCC[N@H+](C)CCCN(C)CCN(C)C ZINC000290265943 302288805 /nfs/dbraw/zinc/28/88/05/302288805.db2.gz XGYVNNSFSSVKAK-UHFFFAOYSA-N 1 3 306.498 2.138 20 0 DEADHO O=C(C[C@H]1CCC[NH2+]1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000163624285 303650011 /nfs/dbraw/zinc/65/00/11/303650011.db2.gz CHCFYRIRCLDNKK-KGLIPLIRSA-N 1 3 307.463 2.143 20 0 DEADHO C[C@H]1[NH2+]CC[C@H]1C(=O)N(CCCc1ccccc1)CCN(C)C ZINC000572480450 325939176 /nfs/dbraw/zinc/93/91/76/325939176.db2.gz MPNOXVBGOJKTGP-SJLPKXTDSA-N 1 3 317.477 2.007 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](NCCc2ccc(OCC(F)(F)F)nc2)C1 ZINC000573267042 326039390 /nfs/dbraw/zinc/03/93/90/326039390.db2.gz XZXDAKGPEGCIED-CHWSQXEVSA-N 1 3 317.355 2.425 20 0 DEADHO N[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(OCC(F)(F)F)nc2)C1 ZINC000573267042 326039392 /nfs/dbraw/zinc/03/93/92/326039392.db2.gz XZXDAKGPEGCIED-CHWSQXEVSA-N 1 3 317.355 2.425 20 0 DEADHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](O)COc2ccccc2)C1 ZINC000573479440 326061731 /nfs/dbraw/zinc/06/17/31/326061731.db2.gz XJGNJMBRVRPNOS-SJORKVTESA-N 1 3 306.450 2.136 20 0 DEADHO CC(C)[NH+]1CCC(N2CCN(C[C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000573613962 326075064 /nfs/dbraw/zinc/07/50/64/326075064.db2.gz NWPABEOPJUTMNH-HKUYNNGSSA-N 1 3 323.525 2.028 20 0 DEADHO C[C@@H]1CN(Cc2cccc(CN[C@H]3CCC[C@@H]([NH3+])C3)c2)CCO1 ZINC000573742301 326087791 /nfs/dbraw/zinc/08/77/91/326087791.db2.gz TYYJUIAGXFRQAL-LZQZEXGQSA-N 1 3 317.477 2.267 20 0 DEADHO C[C@H](CNC[C@@H](O)COCc1ccccc1)C[NH+]1CCCCC1 ZINC000575377377 326236826 /nfs/dbraw/zinc/23/68/26/326236826.db2.gz NEQAPHKCXXQXKV-IEBWSBKVSA-N 1 3 320.477 2.276 20 0 DEADHO C[C@H](C[NH2+]C[C@@H](O)COCc1ccccc1)CN1CCCCC1 ZINC000575377377 326236831 /nfs/dbraw/zinc/23/68/31/326236831.db2.gz NEQAPHKCXXQXKV-IEBWSBKVSA-N 1 3 320.477 2.276 20 0 DEADHO COc1cc(CNCc2ccc(C[NH3+])cc2)cc(OC)c1OC ZINC000575802239 326247024 /nfs/dbraw/zinc/24/70/24/326247024.db2.gz FQOAJWRBTCMKGW-UHFFFAOYSA-N 1 3 316.401 2.461 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC=C(F)C3)CC2)CC1 ZINC000575933852 326257279 /nfs/dbraw/zinc/25/72/79/326257279.db2.gz XPZZHIKMPGPPCB-UHFFFAOYSA-N 1 3 323.456 2.268 20 0 DEADHO C[C@@H](C[NH2+]C1CCC(N2CCC(C)CC2)CC1)S(C)(=O)=O ZINC000576100760 326269152 /nfs/dbraw/zinc/26/91/52/326269152.db2.gz BXIJGWDKQOQFMF-FHERZECASA-N 1 3 316.511 2.052 20 0 DEADHO Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@@H](C)C2=CCN(C)CC2)c1 ZINC000576459700 326295147 /nfs/dbraw/zinc/29/51/47/326295147.db2.gz KZBASBMVMRCWLX-FUHWJXTLSA-N 1 3 318.461 2.283 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)CCN(C)c2ccncc2)CC1 ZINC000584012698 331562466 /nfs/dbraw/zinc/56/24/66/331562466.db2.gz MOUQCBJGNZUWOW-UHFFFAOYSA-N 1 3 318.465 2.145 20 0 DEADHO COc1cccc([C@H](CN[C@@H]2CCC[C@H]2[NH3+])N2CCCC2)c1 ZINC000582116300 333290234 /nfs/dbraw/zinc/29/02/34/333290234.db2.gz QDCILICFYFUWPP-KURKYZTESA-N 1 3 303.450 2.302 20 0 DEADHO COc1cccc([C@H](C[NH2+][C@@H]2CCC[C@H]2N)N2CCCC2)c1 ZINC000582116300 333290236 /nfs/dbraw/zinc/29/02/36/333290236.db2.gz QDCILICFYFUWPP-KURKYZTESA-N 1 3 303.450 2.302 20 0 DEADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)C ZINC001376427103 1159409011 /nfs/dbraw/zinc/40/90/11/1159409011.db2.gz JMCAEOQZELYSEO-ALOPSCKCSA-N 1 3 309.498 2.486 20 0 DEADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C ZINC001376427103 1159409021 /nfs/dbraw/zinc/40/90/21/1159409021.db2.gz JMCAEOQZELYSEO-ALOPSCKCSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccccc1 ZINC001378247496 1152250845 /nfs/dbraw/zinc/25/08/45/1152250845.db2.gz DEPLGUBGLFDFTC-INIZCTEOSA-N 1 3 303.450 2.155 20 0 DEADHO CC[C@H](F)C[NH2+]C1(C)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001377284381 1160120125 /nfs/dbraw/zinc/12/01/25/1160120125.db2.gz IECHBBKYVPVQDY-AWEZNQCLSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)C[NH2+][C@H](CCN(C)C(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001378371235 1152307854 /nfs/dbraw/zinc/30/78/54/1152307854.db2.gz AWUYLXLBEPXWHK-IAGOWNOFSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)[C@@H](CCN(C)C(=O)[C@H]1CCCN1C)[NH2+]C/C=C/Cl ZINC001378383471 1152312047 /nfs/dbraw/zinc/31/20/47/1152312047.db2.gz UCMIWOUJEQTBRP-VOTDVEDPSA-N 1 3 315.889 2.296 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCc1ccc(C[NH2+]C(C)C)cc1 ZINC001378458674 1152337694 /nfs/dbraw/zinc/33/76/94/1152337694.db2.gz DFONYHGVAYRPMP-UHFFFAOYSA-N 1 3 300.406 2.075 20 0 DEADHO CN1CCC[C@H]1C(=O)NCCC1CC[NH+](C/C=C/Cl)CC1 ZINC001378472207 1152341600 /nfs/dbraw/zinc/34/16/00/1152341600.db2.gz PPXZCDKKFOURJW-GZTQLTBSSA-N 1 3 313.873 2.051 20 0 DEADHO CC[C@H](C(=O)NCCC1CC[NH+](CCC2CC2)CC1)N(C)C ZINC001378475448 1152342554 /nfs/dbraw/zinc/34/25/54/1152342554.db2.gz IMCCKNVLMCPVQR-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](F)CC[NH+]1CC([C@@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001378536058 1152366552 /nfs/dbraw/zinc/36/65/52/1152366552.db2.gz FTUGXDYXNIZJLB-ZIAGYGMSSA-N 1 3 315.477 2.149 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001398578079 1160996790 /nfs/dbraw/zinc/99/67/90/1160996790.db2.gz OGGLYABURCPZRC-AVGNSLFASA-N 1 3 321.387 2.050 20 0 DEADHO CCc1ccccc1CN1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001378561385 1152376661 /nfs/dbraw/zinc/37/66/61/1152376661.db2.gz QSGNGLPLGCFBET-OAHLLOKOSA-N 1 3 317.477 2.137 20 0 DEADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000443077660 533725587 /nfs/dbraw/zinc/72/55/87/533725587.db2.gz VDONSZBSLGJIFB-HRCADAONSA-N 1 3 303.450 2.313 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CCC(C)(C)C)C1 ZINC001400237472 1161696658 /nfs/dbraw/zinc/69/66/58/1161696658.db2.gz WWSUGXMJOMUBFW-HZPDHXFCSA-N 1 3 309.498 2.297 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCC(C)(C)C)C1 ZINC001400237472 1161696662 /nfs/dbraw/zinc/69/66/62/1161696662.db2.gz WWSUGXMJOMUBFW-HZPDHXFCSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H](NC1CC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000294927201 533802194 /nfs/dbraw/zinc/80/21/94/533802194.db2.gz CYFUNTYTSNKNHY-RLFYNMQTSA-N 1 3 315.461 2.296 20 0 DEADHO C[C@H](NC1CC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000294927201 533802197 /nfs/dbraw/zinc/80/21/97/533802197.db2.gz CYFUNTYTSNKNHY-RLFYNMQTSA-N 1 3 315.461 2.296 20 0 DEADHO CC(C)N(C)CC(=O)N1CC2(C1)CCC[N@H+](CCC1CC1)C2 ZINC001378797444 1152449093 /nfs/dbraw/zinc/44/90/93/1152449093.db2.gz RQOUOUQUIBSOQW-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)N(C)CC(=O)N1CC2(C1)CCC[N@@H+](CCC1CC1)C2 ZINC001378797444 1152449094 /nfs/dbraw/zinc/44/90/94/1152449094.db2.gz RQOUOUQUIBSOQW-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H]1CCc2ccccc21 ZINC001378841552 1152464117 /nfs/dbraw/zinc/46/41/17/1152464117.db2.gz JTDWWLDEHAGCQQ-YJBOKZPZSA-N 1 3 317.477 2.452 20 0 DEADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H](CO)Cc1ccccc1 ZINC000422766953 534179061 /nfs/dbraw/zinc/17/90/61/534179061.db2.gz RNZDASSGACEROT-FFZOFVMBSA-N 1 3 312.457 2.386 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCN1CCCCCC1=O ZINC000422761776 534350667 /nfs/dbraw/zinc/35/06/67/534350667.db2.gz RQDDGLSHCRVTKH-CQSZACIVSA-N 1 3 318.465 2.292 20 0 DEADHO CCC[NH2+]CCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000154558881 519916469 /nfs/dbraw/zinc/91/64/69/519916469.db2.gz IRJBENAOLOBBDB-INIZCTEOSA-N 1 3 321.440 2.154 20 0 DEADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CCC[C@@H]3[NH3+])cc2)C[C@@H](C)O1 ZINC000422806033 534472485 /nfs/dbraw/zinc/47/24/85/534472485.db2.gz HQKONPDNSJESHP-VVWQDTPRSA-N 1 3 317.477 2.265 20 0 DEADHO C[C@@H]1CN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3N)cc2)C[C@@H](C)O1 ZINC000422806033 534472492 /nfs/dbraw/zinc/47/24/92/534472492.db2.gz HQKONPDNSJESHP-VVWQDTPRSA-N 1 3 317.477 2.265 20 0 DEADHO CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC000106460066 520257728 /nfs/dbraw/zinc/25/77/28/520257728.db2.gz DKQZVGIJBDUBKI-QGZVFWFLSA-N 1 3 305.466 2.341 20 0 DEADHO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC000106460066 520257732 /nfs/dbraw/zinc/25/77/32/520257732.db2.gz DKQZVGIJBDUBKI-QGZVFWFLSA-N 1 3 305.466 2.341 20 0 DEADHO CCN1CCC(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000337344357 521574744 /nfs/dbraw/zinc/57/47/44/521574744.db2.gz TXWOKSCIGIXDCJ-LSDHHAIUSA-N 1 3 310.486 2.033 20 0 DEADHO CCN1CCC(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000337344357 521574750 /nfs/dbraw/zinc/57/47/50/521574750.db2.gz TXWOKSCIGIXDCJ-LSDHHAIUSA-N 1 3 310.486 2.033 20 0 DEADHO CN(C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H]1C1CC1)c1ccccc1 ZINC000364278656 522011456 /nfs/dbraw/zinc/01/14/56/522011456.db2.gz JVGNBTLDWOIPII-MSOLQXFVSA-N 1 3 315.461 2.280 20 0 DEADHO CN(C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H]1C1CC1)c1ccccc1 ZINC000364278656 522011467 /nfs/dbraw/zinc/01/14/67/522011467.db2.gz JVGNBTLDWOIPII-MSOLQXFVSA-N 1 3 315.461 2.280 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)CC2CC[NH2+]CC2)N(C)C)cc1 ZINC000163601401 524029736 /nfs/dbraw/zinc/02/97/36/524029736.db2.gz ORGGHUSLQOYESL-GOSISDBHSA-N 1 3 317.477 2.358 20 0 DEADHO C[C@@H](CCc1c(F)cccc1F)NC[C@@H](O)C[NH+]1CCCC1 ZINC000337984795 524521480 /nfs/dbraw/zinc/52/14/80/524521480.db2.gz AZFVIXRNWMQLSA-UONOGXRCSA-N 1 3 312.404 2.332 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]Cc2cccc(CN3CCOCC3)c2)CCN1C ZINC000163686917 525443419 /nfs/dbraw/zinc/44/34/19/525443419.db2.gz UAIXCXLGCUZZPS-VQIMIIECSA-N 1 3 317.477 2.091 20 0 DEADHO C[C@@H]1C[C@H](NCc2cccc(CN3CCOCC3)c2)CC[N@@H+]1C ZINC000163686917 525443425 /nfs/dbraw/zinc/44/34/25/525443425.db2.gz UAIXCXLGCUZZPS-VQIMIIECSA-N 1 3 317.477 2.091 20 0 DEADHO C[C@@H]1C[C@H](NCc2cccc(CN3CCOCC3)c2)CC[N@H+]1C ZINC000163686917 525443434 /nfs/dbraw/zinc/44/34/34/525443434.db2.gz UAIXCXLGCUZZPS-VQIMIIECSA-N 1 3 317.477 2.091 20 0 DEADHO C(CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)COCC1CCOCC1 ZINC000422783614 527486224 /nfs/dbraw/zinc/48/62/24/527486224.db2.gz NCWFZRXUILRZAW-RCCFBDPRSA-N 1 3 310.482 2.330 20 0 DEADHO CC(C)(C(=O)N1CCC[C@H](CC[NH3+])C1)[C@H](N)c1ccccc1 ZINC000417814358 527506357 /nfs/dbraw/zinc/50/63/57/527506357.db2.gz APSUBSPWWWTHKV-GDBMZVCRSA-N 1 3 303.450 2.300 20 0 DEADHO CC(C)C(=O)Nc1ccc(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000422795882 527538860 /nfs/dbraw/zinc/53/88/60/527538860.db2.gz IGFIIXMXDHRNHH-XOKHGSTOSA-N 1 3 319.449 2.123 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000418599400 527662866 /nfs/dbraw/zinc/66/28/66/527662866.db2.gz HRASSAWVSZPFMN-UHFFFAOYSA-N 1 3 322.497 2.060 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](O)[C@H](C)C2)CC1 ZINC000428488193 527711778 /nfs/dbraw/zinc/71/17/78/527711778.db2.gz SAPNXSFTRZJFRH-VQIMIIECSA-N 1 3 317.477 2.031 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](O)[C@H](C)C2)CC1 ZINC000428488193 527711779 /nfs/dbraw/zinc/71/17/79/527711779.db2.gz SAPNXSFTRZJFRH-VQIMIIECSA-N 1 3 317.477 2.031 20 0 DEADHO CCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423034576 527772681 /nfs/dbraw/zinc/77/26/81/527772681.db2.gz IGTVLQUNAANKCY-VSZNYVQBSA-N 1 3 304.434 2.263 20 0 DEADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)C1 ZINC000423001131 527987944 /nfs/dbraw/zinc/98/79/44/527987944.db2.gz WRPIVMSVQUWHFQ-HCXYKTFWSA-N 1 3 323.525 2.101 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NCC1([NH3+])CCCCC1 ZINC000418298634 528079766 /nfs/dbraw/zinc/07/97/66/528079766.db2.gz QLTMLYQVGXIWGD-UHFFFAOYSA-N 1 3 310.486 2.165 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418346141 528083483 /nfs/dbraw/zinc/08/34/83/528083483.db2.gz POFIKQMZLBRTDR-DLBZAZTESA-N 1 3 324.513 2.282 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000418317616 528133720 /nfs/dbraw/zinc/13/37/20/528133720.db2.gz MXMRGOBMHDMNBF-YOEHRIQHSA-N 1 3 318.465 2.109 20 0 DEADHO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000418452188 528299251 /nfs/dbraw/zinc/29/92/51/528299251.db2.gz WYCMHOYZRRCZSH-HNNXBMFYSA-N 1 3 312.502 2.123 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000417390590 528457970 /nfs/dbraw/zinc/45/79/70/528457970.db2.gz KHCURBKCPDTWEK-QGZVFWFLSA-N 1 3 318.465 2.250 20 0 DEADHO CC[N@H+](CCNC(=O)NC[C@@H]1N(C)CCCC1(C)C)C(C)C ZINC000448014101 528494079 /nfs/dbraw/zinc/49/40/79/528494079.db2.gz YOIMMQGKIKXDCI-HNNXBMFYSA-N 1 3 312.502 2.136 20 0 DEADHO CC[N@@H+](CCNC(=O)NC[C@@H]1N(C)CCCC1(C)C)C(C)C ZINC000448014101 528494083 /nfs/dbraw/zinc/49/40/83/528494083.db2.gz YOIMMQGKIKXDCI-HNNXBMFYSA-N 1 3 312.502 2.136 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000294635013 528554317 /nfs/dbraw/zinc/55/43/17/528554317.db2.gz ASGMORYXZMIQTH-PBHICJAKSA-N 1 3 305.466 2.356 20 0 DEADHO CCN1CC[C@H](NC(=O)c2ccc(C[N@H+](CC)C3CC3)cc2)C1 ZINC000412854198 528775708 /nfs/dbraw/zinc/77/57/08/528775708.db2.gz ZPPHCHCFYWQGGC-KRWDZBQOSA-N 1 3 315.461 2.495 20 0 DEADHO CCN1CC[C@H](NC(=O)c2ccc(C[N@@H+](CC)C3CC3)cc2)C1 ZINC000412854198 528775712 /nfs/dbraw/zinc/77/57/12/528775712.db2.gz ZPPHCHCFYWQGGC-KRWDZBQOSA-N 1 3 315.461 2.495 20 0 DEADHO CCC([NH3+])(CC)CNC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000418432902 528929585 /nfs/dbraw/zinc/92/95/85/528929585.db2.gz BBTKWYRQDDVKLB-HNNXBMFYSA-N 1 3 310.486 2.164 20 0 DEADHO CCC([NH3+])(CC)CNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000417592850 528936188 /nfs/dbraw/zinc/93/61/88/528936188.db2.gz UMJZPMYZPRIFHF-HNNXBMFYSA-N 1 3 320.481 2.324 20 0 DEADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cccc(C)c2F)CC1 ZINC000294966451 529148277 /nfs/dbraw/zinc/14/82/77/529148277.db2.gz GCSSEJBVIPUJLL-OAHLLOKOSA-N 1 3 307.457 2.497 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CC[NH2+][C@H](C)C1)c1ccco1 ZINC000418161338 529182978 /nfs/dbraw/zinc/18/29/78/529182978.db2.gz DWGAAOLYCVBAIO-LJISPDSOSA-N 1 3 322.453 2.149 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CC[NH2+][C@@H](C)C1)c1ccco1 ZINC000418161339 529183108 /nfs/dbraw/zinc/18/31/08/529183108.db2.gz DWGAAOLYCVBAIO-ZQDZILKHSA-N 1 3 322.453 2.149 20 0 DEADHO CC[C@H](CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])Oc1cccc(C)c1 ZINC000422922491 529369840 /nfs/dbraw/zinc/36/98/40/529369840.db2.gz SXEHYDQJEYVQEF-BURFUSLBSA-N 1 3 306.450 2.494 20 0 DEADHO CC(C)[C@H](CNC(=O)[C@H](C)[C@H](C)[NH3+])N1CCc2ccccc2C1 ZINC000493768709 535010412 /nfs/dbraw/zinc/01/04/12/535010412.db2.gz PSKOGHOTLHCPNV-VKJFTORMSA-N 1 3 317.477 2.169 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000359927373 535238840 /nfs/dbraw/zinc/23/88/40/535238840.db2.gz XQIPDHLDDGNQAA-JKSUJKDBSA-N 1 3 312.502 2.090 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000359927373 535238846 /nfs/dbraw/zinc/23/88/46/535238846.db2.gz XQIPDHLDDGNQAA-JKSUJKDBSA-N 1 3 312.502 2.090 20 0 DEADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H](C)NC2CC2)c1 ZINC000449094563 535607727 /nfs/dbraw/zinc/60/77/27/535607727.db2.gz SDDWDNLFFKSLIW-CQSZACIVSA-N 1 3 303.450 2.285 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000377272382 536022283 /nfs/dbraw/zinc/02/22/83/536022283.db2.gz BZUWPVKTVWKHMP-QGZVFWFLSA-N 1 3 303.450 2.305 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000371763386 536026505 /nfs/dbraw/zinc/02/65/05/536026505.db2.gz YLMAALMGHZYWQD-IAGOWNOFSA-N 1 3 301.434 2.105 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000371763386 536026509 /nfs/dbraw/zinc/02/65/09/536026509.db2.gz YLMAALMGHZYWQD-IAGOWNOFSA-N 1 3 301.434 2.105 20 0 DEADHO CN(CCC1CC[NH2+]CC1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000359227524 536323107 /nfs/dbraw/zinc/32/31/07/536323107.db2.gz WVNWSTPDUURXET-KRWDZBQOSA-N 1 3 319.424 2.253 20 0 DEADHO COCCN1CCC(N(CCC[NH3+])c2cccc(F)c2)CC1 ZINC000360187012 536858766 /nfs/dbraw/zinc/85/87/66/536858766.db2.gz CZFZILYAPWFQNP-UHFFFAOYSA-N 1 3 309.429 2.092 20 0 DEADHO COc1ccccc1OCCN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357065341 537094415 /nfs/dbraw/zinc/09/44/15/537094415.db2.gz ANGDPPYITDRONM-MRXNPFEDSA-N 1 3 304.434 2.396 20 0 DEADHO C[C@H](NC(=O)CC[NH+](C)C)C1CCN(CCC(F)(F)F)CC1 ZINC001426195886 1174641302 /nfs/dbraw/zinc/64/13/02/1174641302.db2.gz XUODNRSNQSCPDP-LBPRGKRZSA-N 1 3 323.403 2.107 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CCC1CC1 ZINC001369752463 1149144485 /nfs/dbraw/zinc/14/44/85/1149144485.db2.gz RETUKYPCXOJWJO-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC1CC(C)(C)C1 ZINC001379374290 1152616372 /nfs/dbraw/zinc/61/63/72/1152616372.db2.gz XQWYGTIOYRIICH-GDBMZVCRSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)NC(=O)CN(C)C2CCC2)cc1 ZINC001379515161 1152635540 /nfs/dbraw/zinc/63/55/40/1152635540.db2.gz HTDJEQYXVRVSQC-HNNXBMFYSA-N 1 3 303.450 2.074 20 0 DEADHO C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1)NC(=O)CN(C)C1CCC1 ZINC001379517171 1152635841 /nfs/dbraw/zinc/63/58/41/1152635841.db2.gz RJEQNAPSILBELI-KBPBESRZSA-N 1 3 321.440 2.465 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC001361807156 1152746689 /nfs/dbraw/zinc/74/66/89/1152746689.db2.gz UFUFICBDDHRCMA-YESZJQIVSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC001361807156 1152746692 /nfs/dbraw/zinc/74/66/92/1152746692.db2.gz UFUFICBDDHRCMA-YESZJQIVSA-N 1 3 309.498 2.486 20 0 DEADHO CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001380177259 1152762791 /nfs/dbraw/zinc/76/27/91/1152762791.db2.gz AZGLTPWFQIPFRH-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001380177259 1152762793 /nfs/dbraw/zinc/76/27/93/1152762793.db2.gz AZGLTPWFQIPFRH-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CCN(C(=O)C1CC[NH+](CC(C)C)CC1)C1CCN(C)CC1 ZINC001362475729 1152926564 /nfs/dbraw/zinc/92/65/64/1152926564.db2.gz RYEJMZVISCLNIW-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001362492198 1152934548 /nfs/dbraw/zinc/93/45/48/1152934548.db2.gz BNVNUVMHPXZJMH-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001362492198 1152934553 /nfs/dbraw/zinc/93/45/53/1152934553.db2.gz BNVNUVMHPXZJMH-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1C[C@H](NC[C@@H](F)CC)C(C)(C)C1 ZINC001382377212 1153439426 /nfs/dbraw/zinc/43/94/26/1153439426.db2.gz LXTBITWZEBHWCG-GJZGRUSLSA-N 1 3 315.477 2.293 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](NC[C@@H](F)CC)C(C)(C)C1 ZINC001382377212 1153439427 /nfs/dbraw/zinc/43/94/27/1153439427.db2.gz LXTBITWZEBHWCG-GJZGRUSLSA-N 1 3 315.477 2.293 20 0 DEADHO COc1ccc2nccc(N3CC[N@H+](C[C@H](C)O)C[C@H]3C)c2c1 ZINC000893258358 625323220 /nfs/dbraw/zinc/32/32/20/625323220.db2.gz FWLXJOXCHILJBJ-KGLIPLIRSA-N 1 3 315.417 2.135 20 0 DEADHO COc1ccc2nccc(N3CC[N@@H+](C[C@H](C)O)C[C@H]3C)c2c1 ZINC000893258358 625323222 /nfs/dbraw/zinc/32/32/22/625323222.db2.gz FWLXJOXCHILJBJ-KGLIPLIRSA-N 1 3 315.417 2.135 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H]([N@H+](C)CCC3CC3)C2)CC1 ZINC000972610272 625353744 /nfs/dbraw/zinc/35/37/44/625353744.db2.gz LSACKQJVHSSEBG-KRWDZBQOSA-N 1 3 307.482 2.051 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CCC3CC3)C2)CC1 ZINC000972610272 625353748 /nfs/dbraw/zinc/35/37/48/625353748.db2.gz LSACKQJVHSSEBG-KRWDZBQOSA-N 1 3 307.482 2.051 20 0 DEADHO C[NH+]1CCC(CN2CCN(C(=O)C(C)(C)C)CC2(C)C)CC1 ZINC000893307074 625444794 /nfs/dbraw/zinc/44/47/94/625444794.db2.gz BUTALFXRWMGNPM-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001023987547 625513474 /nfs/dbraw/zinc/51/34/74/625513474.db2.gz UMJICKDCIVGNCF-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO Nc1cc(N2CCC(OCC[NH+]3CCCC3)CC2)c(Cl)cn1 ZINC000892758305 625553287 /nfs/dbraw/zinc/55/32/87/625553287.db2.gz OZDKSTFLMZADCQ-UHFFFAOYSA-N 1 3 324.856 2.398 20 0 DEADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)c1ccccc1 ZINC000969588096 622831295 /nfs/dbraw/zinc/83/12/95/622831295.db2.gz BBWPLZCIEGLTLI-DJIMGWMZSA-N 1 3 301.434 2.032 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCCC2)C1 ZINC000969650280 622862389 /nfs/dbraw/zinc/86/23/89/622862389.db2.gz RHNZGNNEFBZSSK-MAUKXSAKSA-N 1 3 321.509 2.486 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000969844266 622948475 /nfs/dbraw/zinc/94/84/75/622948475.db2.gz HFXOTFYXSCKRER-QZTJIDSGSA-N 1 3 317.477 2.272 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC000970103370 623122416 /nfs/dbraw/zinc/12/24/16/623122416.db2.gz MZXWHBMZDGCYHQ-OAHLLOKOSA-N 1 3 316.449 2.113 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001021254209 623453446 /nfs/dbraw/zinc/45/34/46/623453446.db2.gz HYHKLMPMEAUURD-HQSKLWIPSA-N 1 3 319.493 2.381 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001021254209 623453448 /nfs/dbraw/zinc/45/34/48/623453448.db2.gz HYHKLMPMEAUURD-HQSKLWIPSA-N 1 3 319.493 2.381 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000970800017 623689381 /nfs/dbraw/zinc/68/93/81/623689381.db2.gz KRRLWOBHFLNQBC-MSOLQXFVSA-N 1 3 315.461 2.252 20 0 DEADHO CN1CCC(N(Cc2ccco2)C(=O)NCCC(C)(C)[NH3+])CC1 ZINC000892860037 625668636 /nfs/dbraw/zinc/66/86/36/625668636.db2.gz IJAUQBJMFPCYKA-UHFFFAOYSA-N 1 3 322.453 2.013 20 0 DEADHO CC(C)C[NH+]1CC([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000970917006 623788838 /nfs/dbraw/zinc/78/88/38/623788838.db2.gz MSQONWJFAKQQFS-OAHLLOKOSA-N 1 3 317.477 2.454 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]2C[N@H+](CC3CCC3)CC[C@H]21 ZINC001021679508 623947108 /nfs/dbraw/zinc/94/71/08/623947108.db2.gz ONLHJUULQFQVFM-NVXWUHKLSA-N 1 3 316.449 2.065 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]2C[N@@H+](CC3CCC3)CC[C@H]21 ZINC001021679508 623947111 /nfs/dbraw/zinc/94/71/11/623947111.db2.gz ONLHJUULQFQVFM-NVXWUHKLSA-N 1 3 316.449 2.065 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N1C[C@H]([NH3+])C[C@@H]1C)c1ccsc1 ZINC000891349361 624047536 /nfs/dbraw/zinc/04/75/36/624047536.db2.gz TXIUUNKPKSPNMG-NWANDNLSSA-N 1 3 324.494 2.262 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(C)c2)C1)N(C)C ZINC000971780230 624544651 /nfs/dbraw/zinc/54/46/51/624544651.db2.gz WMGSEIYFVWBHEB-QZTJIDSGSA-N 1 3 317.477 2.368 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(C)c2)C1)N(C)C ZINC000971780230 624544653 /nfs/dbraw/zinc/54/46/53/624544653.db2.gz WMGSEIYFVWBHEB-QZTJIDSGSA-N 1 3 317.477 2.368 20 0 DEADHO Cc1ccccc1C[NH+]1CCC(Nc2ccncc2CO)CC1 ZINC000891890574 624647994 /nfs/dbraw/zinc/64/79/94/624647994.db2.gz VNKBSKAXHGBLJF-UHFFFAOYSA-N 1 3 311.429 2.381 20 0 DEADHO CN(CCCCCC[NH3+])C(=O)NC[C@H]1NCCc2ccccc21 ZINC000892119181 624787871 /nfs/dbraw/zinc/78/78/71/624787871.db2.gz OFGQLUZZHJNMSJ-QGZVFWFLSA-N 1 3 318.465 2.034 20 0 DEADHO C[C@@H]([NH3+])[C@H](C)NC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000892144247 624795447 /nfs/dbraw/zinc/79/54/47/624795447.db2.gz SYOQBQGRBZGKCA-HLLBOEOZSA-N 1 3 318.465 2.076 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([N@H+](C)CC3CCCC3)C2)C1 ZINC000972336484 624933774 /nfs/dbraw/zinc/93/37/74/624933774.db2.gz XQBJKULEHOCSKH-RDJZCZTQSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CC3CCCC3)C2)C1 ZINC000972336484 624933777 /nfs/dbraw/zinc/93/37/77/624933777.db2.gz XQBJKULEHOCSKH-RDJZCZTQSA-N 1 3 307.482 2.051 20 0 DEADHO C[N@H+](CCC1CC1)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972339532 624934095 /nfs/dbraw/zinc/93/40/95/624934095.db2.gz MXYCRWLIDFFLRB-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO C[N@@H+](CCC1CC1)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972339532 624934097 /nfs/dbraw/zinc/93/40/97/624934097.db2.gz MXYCRWLIDFFLRB-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC1)C1CC1 ZINC001024984139 625127435 /nfs/dbraw/zinc/12/74/35/625127435.db2.gz DIEFILBJXFJLPY-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO COc1ccccc1N1CCC(N[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925535437 625239224 /nfs/dbraw/zinc/23/92/24/625239224.db2.gz WPUDHJAQKZISJE-ZBFHGGJFSA-N 1 3 303.450 2.394 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]CC3CC(C)(C)C3)C2)CCC1 ZINC000999355717 634565467 /nfs/dbraw/zinc/56/54/67/634565467.db2.gz WAYPHLSLFDWBIH-MRXNPFEDSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCC2CCCC2)C1)C1CC1 ZINC000999373840 634570725 /nfs/dbraw/zinc/57/07/25/634570725.db2.gz RJAXAOFIFNKUSZ-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccsc2)C1)C1CC1 ZINC000999377639 634573036 /nfs/dbraw/zinc/57/30/36/634573036.db2.gz WPMHTGLNVQAJNN-JKSUJKDBSA-N 1 3 321.490 2.169 20 0 DEADHO C[C@H]1CCCN1CC(=O)N(C)C1CC([NH2+]CC2CCCC2)C1 ZINC000999407456 634586248 /nfs/dbraw/zinc/58/62/48/634586248.db2.gz VJBWQHNUJGFJDZ-OOHWJJMZSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)C2CC([NH2+]CC3CCCCC3)C2)C1 ZINC000999409012 634586408 /nfs/dbraw/zinc/58/64/08/634586408.db2.gz OACLAHJAXYQVJN-ZLPCBKJTSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC([NH2+]CCC2CC2)C1 ZINC000999410388 634587420 /nfs/dbraw/zinc/58/74/20/634587420.db2.gz WNPWIXNMBINZAQ-UHFFFAOYSA-N 1 3 307.482 2.097 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]CC2CCC2)C1 ZINC000999876319 634697947 /nfs/dbraw/zinc/69/79/47/634697947.db2.gz MDSCQFQOVYCHAT-JCYILVPMSA-N 1 3 307.482 2.240 20 0 DEADHO Cc1cnc(Cl)c(CNCCC[N@H+]2CCCN(C)CC2)c1 ZINC000921691183 634760162 /nfs/dbraw/zinc/76/01/62/634760162.db2.gz SZPHKOUFLCUWJU-UHFFFAOYSA-N 1 3 310.873 2.161 20 0 DEADHO Cc1cnc(Cl)c(CNCCC[N@@H+]2CCCN(C)CC2)c1 ZINC000921691183 634760163 /nfs/dbraw/zinc/76/01/63/634760163.db2.gz SZPHKOUFLCUWJU-UHFFFAOYSA-N 1 3 310.873 2.161 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2C)C1)N(C)C ZINC001000217479 634795538 /nfs/dbraw/zinc/79/55/38/634795538.db2.gz GYYCRZQGRLJGED-MSOLQXFVSA-N 1 3 317.477 2.416 20 0 DEADHO CC(C)(C(=O)N1C[C@@H]([NH2+]CC2CC2)C(C)(C)C1)N1CCCCC1 ZINC000995824062 633123389 /nfs/dbraw/zinc/12/33/89/633123389.db2.gz PRDWDKMSRUWWKQ-MRXNPFEDSA-N 1 3 321.509 2.488 20 0 DEADHO CC1(C)CC(C[NH2+][C@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)C1 ZINC000996354956 633245815 /nfs/dbraw/zinc/24/58/15/633245815.db2.gz KBQJEIGZGOODDT-HNNXBMFYSA-N 1 3 318.465 2.215 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]Cc3ccsc3)C2)C1 ZINC001027065088 633385695 /nfs/dbraw/zinc/38/56/95/633385695.db2.gz QXPUXAWJUOXASI-GJZGRUSLSA-N 1 3 321.490 2.028 20 0 DEADHO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001027090743 633430828 /nfs/dbraw/zinc/43/08/28/633430828.db2.gz VGFCEUCLPMWTBI-GJZGRUSLSA-N 1 3 312.417 2.152 20 0 DEADHO C[C@H]([NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1)c1ccccc1 ZINC001027217328 633500239 /nfs/dbraw/zinc/50/02/39/633500239.db2.gz IPCJHSBHLHYGRZ-DLBZAZTESA-N 1 3 315.461 2.282 20 0 DEADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2csc(C)c2)CC1)N(C)C ZINC000997016314 633561909 /nfs/dbraw/zinc/56/19/09/633561909.db2.gz UQHFOQUPRAUKTB-INIZCTEOSA-N 1 3 323.506 2.477 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](CC2CC2)CC1 ZINC000997612748 633899678 /nfs/dbraw/zinc/89/96/78/633899678.db2.gz IMNNQPUXRCWHOI-MAUKXSAKSA-N 1 3 321.509 2.488 20 0 DEADHO CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC000997786151 633974637 /nfs/dbraw/zinc/97/46/37/633974637.db2.gz IIVRDGDOGSCISN-RDJZCZTQSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC000978152731 634227756 /nfs/dbraw/zinc/22/77/56/634227756.db2.gz WFWXYZCKHJZSGM-ZJPYXAASSA-N 1 3 319.493 2.119 20 0 DEADHO CC(C)=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC000978152731 634227766 /nfs/dbraw/zinc/22/77/66/634227766.db2.gz WFWXYZCKHJZSGM-ZJPYXAASSA-N 1 3 319.493 2.119 20 0 DEADHO C([NH2+][C@H]1CCNC[C@H]1C1CCCC1)[C@@H]1CC2(CO1)CCOCC2 ZINC000925735518 634253366 /nfs/dbraw/zinc/25/33/66/634253366.db2.gz VFZVXTSFFJEYGY-BZSNNMDCSA-N 1 3 322.493 2.330 20 0 DEADHO C(N[C@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@@H]1CC2(CO1)CCOCC2 ZINC000925735518 634253372 /nfs/dbraw/zinc/25/33/72/634253372.db2.gz VFZVXTSFFJEYGY-BZSNNMDCSA-N 1 3 322.493 2.330 20 0 DEADHO Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCN3C)C2)cs1 ZINC000998553033 634324560 /nfs/dbraw/zinc/32/45/60/634324560.db2.gz UZTGVUJRKIERSK-GPANFISMSA-N 1 3 321.490 2.230 20 0 DEADHO C[N@H+](CCC1CCCC1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406947 634988708 /nfs/dbraw/zinc/98/87/08/634988708.db2.gz TYLPWMTWGFSZGZ-QGZVFWFLSA-N 1 3 307.482 2.195 20 0 DEADHO C[N@@H+](CCC1CCCC1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406947 634988709 /nfs/dbraw/zinc/98/87/09/634988709.db2.gz TYLPWMTWGFSZGZ-QGZVFWFLSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000980473259 635014261 /nfs/dbraw/zinc/01/42/61/635014261.db2.gz ZUUIPCDNRKJPKD-QGZVFWFLSA-N 1 3 303.450 2.303 20 0 DEADHO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000980473259 635014266 /nfs/dbraw/zinc/01/42/66/635014266.db2.gz ZUUIPCDNRKJPKD-QGZVFWFLSA-N 1 3 303.450 2.303 20 0 DEADHO CN1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC(F)(F)F ZINC001027972370 635130323 /nfs/dbraw/zinc/13/03/23/635130323.db2.gz UEMYAYPCPIZWHF-STQMWFEESA-N 1 3 321.387 2.004 20 0 DEADHO CN1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC(F)(F)F ZINC001027972370 635130328 /nfs/dbraw/zinc/13/03/28/635130328.db2.gz UEMYAYPCPIZWHF-STQMWFEESA-N 1 3 321.387 2.004 20 0 DEADHO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCN1CCC(F)(F)F ZINC001027972370 635130330 /nfs/dbraw/zinc/13/03/30/635130330.db2.gz UEMYAYPCPIZWHF-STQMWFEESA-N 1 3 321.387 2.004 20 0 DEADHO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCN1CCC(F)(F)F ZINC001027972370 635130334 /nfs/dbraw/zinc/13/03/34/635130334.db2.gz UEMYAYPCPIZWHF-STQMWFEESA-N 1 3 321.387 2.004 20 0 DEADHO CN1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC(F)(F)F ZINC001027972368 635130531 /nfs/dbraw/zinc/13/05/31/635130531.db2.gz UEMYAYPCPIZWHF-OLZOCXBDSA-N 1 3 321.387 2.004 20 0 DEADHO CN1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC(F)(F)F ZINC001027972368 635130536 /nfs/dbraw/zinc/13/05/36/635130536.db2.gz UEMYAYPCPIZWHF-OLZOCXBDSA-N 1 3 321.387 2.004 20 0 DEADHO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCN1CCC(F)(F)F ZINC001027972368 635130538 /nfs/dbraw/zinc/13/05/38/635130538.db2.gz UEMYAYPCPIZWHF-OLZOCXBDSA-N 1 3 321.387 2.004 20 0 DEADHO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCN1CCC(F)(F)F ZINC001027972368 635130540 /nfs/dbraw/zinc/13/05/40/635130540.db2.gz UEMYAYPCPIZWHF-OLZOCXBDSA-N 1 3 321.387 2.004 20 0 DEADHO CCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1CC(C)C ZINC001027986353 635165430 /nfs/dbraw/zinc/16/54/30/635165430.db2.gz VGRVLEWGOLNHQW-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1CC(C)C ZINC001027986353 635165433 /nfs/dbraw/zinc/16/54/33/635165433.db2.gz VGRVLEWGOLNHQW-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCCN(C(=O)[C@H]2CCCN2C(C)C)CC1 ZINC000981143951 635329774 /nfs/dbraw/zinc/32/97/74/635329774.db2.gz XGBYWBQLXDVWAP-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C)C[N@H+]1CCCN(C(=O)[C@H]2CCCN2C(C)C)CC1 ZINC000981143951 635329776 /nfs/dbraw/zinc/32/97/76/635329776.db2.gz XGBYWBQLXDVWAP-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CN(CC(=O)N1CC2(C1)CCC[N@H+](CCC1CC1)C2)C1CCC1 ZINC000981815795 635667540 /nfs/dbraw/zinc/66/75/40/635667540.db2.gz AUNWGWGTCABCSQ-UHFFFAOYSA-N 1 3 319.493 2.195 20 0 DEADHO CN(CC(=O)N1CC2(C1)CCC[N@@H+](CCC1CC1)C2)C1CCC1 ZINC000981815795 635667543 /nfs/dbraw/zinc/66/75/43/635667543.db2.gz AUNWGWGTCABCSQ-UHFFFAOYSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCCN(CC2=CCCCC2)CC1 ZINC000981960419 635769724 /nfs/dbraw/zinc/76/97/24/635769724.db2.gz VNBKNLBGIZFEER-FUHWJXTLSA-N 1 3 319.493 2.219 20 0 DEADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCCN(CC2=CCCCC2)CC1 ZINC000981960419 635769727 /nfs/dbraw/zinc/76/97/27/635769727.db2.gz VNBKNLBGIZFEER-FUHWJXTLSA-N 1 3 319.493 2.219 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CCC[N@H+](CC2CCC2)C3)C1 ZINC000982012747 635811656 /nfs/dbraw/zinc/81/16/56/635811656.db2.gz GEMWPMKOLKGZIA-INIZCTEOSA-N 1 3 319.493 2.053 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CCC[N@@H+](CC2CCC2)C3)C1 ZINC000982012747 635811659 /nfs/dbraw/zinc/81/16/59/635811659.db2.gz GEMWPMKOLKGZIA-INIZCTEOSA-N 1 3 319.493 2.053 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC1CC[NH+](CC[C@@H](C)F)CC1 ZINC001002956102 635860226 /nfs/dbraw/zinc/86/02/26/635860226.db2.gz QYSIGGMNSAHTGQ-ZBFHGGJFSA-N 1 3 313.461 2.190 20 0 DEADHO COc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c(C)c1 ZINC000922097972 635862386 /nfs/dbraw/zinc/86/23/86/635862386.db2.gz FYFGHFZSHDTHHU-UHFFFAOYSA-N 1 3 305.466 2.119 20 0 DEADHO CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](CC)N(C)C)C[C@@]2(C)C1 ZINC000982306117 635959496 /nfs/dbraw/zinc/95/94/96/635959496.db2.gz IZWGRRQKZIWARP-NXHRZFHOSA-N 1 3 309.498 2.297 20 0 DEADHO CCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](CC)N(C)C)C[C@@]2(C)C1 ZINC000982306117 635959497 /nfs/dbraw/zinc/95/94/97/635959497.db2.gz IZWGRRQKZIWARP-NXHRZFHOSA-N 1 3 309.498 2.297 20 0 DEADHO CCC(CC)C[NH+]1CCC(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001003631856 636008500 /nfs/dbraw/zinc/00/85/00/636008500.db2.gz WAXNNXURUZWQCD-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1ncc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)s1 ZINC000922386102 636151801 /nfs/dbraw/zinc/15/18/01/636151801.db2.gz FSHQYZYVFXGORI-FPCVCCKLSA-N 1 3 309.479 2.021 20 0 DEADHO Cc1ncc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)s1 ZINC000922386102 636151804 /nfs/dbraw/zinc/15/18/04/636151804.db2.gz FSHQYZYVFXGORI-FPCVCCKLSA-N 1 3 309.479 2.021 20 0 DEADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3ccns3)C2)[C@@H]1C(C)C ZINC000922392081 636153454 /nfs/dbraw/zinc/15/34/54/636153454.db2.gz CSGVPKKNCQVBRV-WCVJEAGWSA-N 1 3 309.479 2.103 20 0 DEADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3ccns3)C2)[C@@H]1C(C)C ZINC000922392081 636153455 /nfs/dbraw/zinc/15/34/55/636153455.db2.gz CSGVPKKNCQVBRV-WCVJEAGWSA-N 1 3 309.479 2.103 20 0 DEADHO CC(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982554493 636263828 /nfs/dbraw/zinc/26/38/28/636263828.db2.gz XXEXAVZGKIEITO-QRQLOZEOSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982554493 636263836 /nfs/dbraw/zinc/26/38/36/636263836.db2.gz XXEXAVZGKIEITO-QRQLOZEOSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001028537851 636329483 /nfs/dbraw/zinc/32/94/83/636329483.db2.gz TXUJTELJIQDDAD-IRXDYDNUSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001028537851 636329486 /nfs/dbraw/zinc/32/94/86/636329486.db2.gz TXUJTELJIQDDAD-IRXDYDNUSA-N 1 3 307.482 2.264 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC=C(C)C)C1 ZINC001028580422 636376517 /nfs/dbraw/zinc/37/65/17/636376517.db2.gz VZVUQLWOAQAGPA-IAGOWNOFSA-N 1 3 307.482 2.265 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001028580422 636376521 /nfs/dbraw/zinc/37/65/21/636376521.db2.gz VZVUQLWOAQAGPA-IAGOWNOFSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001004373007 636399740 /nfs/dbraw/zinc/39/97/40/636399740.db2.gz TZTFDFGYRPADLP-ZWKOTPCHSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001004373007 636399744 /nfs/dbraw/zinc/39/97/44/636399744.db2.gz TZTFDFGYRPADLP-ZWKOTPCHSA-N 1 3 321.509 2.440 20 0 DEADHO OCc1cnccc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000894272166 636649438 /nfs/dbraw/zinc/64/94/38/636649438.db2.gz RMXXCQCKJCGRDC-QFBILLFUSA-N 1 3 309.413 2.285 20 0 DEADHO OCc1cnccc1N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000894272166 636649444 /nfs/dbraw/zinc/64/94/44/636649444.db2.gz RMXXCQCKJCGRDC-QFBILLFUSA-N 1 3 309.413 2.285 20 0 DEADHO CN(C(=O)[C@@H]1CCCN1C)C1CC[NH+](CC2CCCC2)CC1 ZINC001005182704 636685038 /nfs/dbraw/zinc/68/50/38/636685038.db2.gz GJCBHPWSMSWVFM-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)CC3)CC[C@@H]2C1 ZINC000946831215 636858707 /nfs/dbraw/zinc/85/87/07/636858707.db2.gz NRUOASQIEJRRRR-HDICACEKSA-N 1 3 321.509 2.299 20 0 DEADHO CCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)CC3)CC[C@@H]2C1 ZINC000946831215 636858711 /nfs/dbraw/zinc/85/87/11/636858711.db2.gz NRUOASQIEJRRRR-HDICACEKSA-N 1 3 321.509 2.299 20 0 DEADHO CCC(CC)[NH2+]CCNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000894457539 637047814 /nfs/dbraw/zinc/04/78/14/637047814.db2.gz CVPNCQHZQLVFSG-INIZCTEOSA-N 1 3 310.486 2.081 20 0 DEADHO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000923278912 637078753 /nfs/dbraw/zinc/07/87/53/637078753.db2.gz XPIWQYMXMCQQHR-BBWFWOEESA-N 1 3 305.466 2.089 20 0 DEADHO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000923278912 637078756 /nfs/dbraw/zinc/07/87/56/637078756.db2.gz XPIWQYMXMCQQHR-BBWFWOEESA-N 1 3 305.466 2.089 20 0 DEADHO Cc1ccc(C)c(OC[C@@H](O)CN[C@@](C)(C[NH3+])C(C)C)c1C ZINC000923297094 637097399 /nfs/dbraw/zinc/09/73/99/637097399.db2.gz YCHCNEKWAOHHQK-WMZOPIPTSA-N 1 3 308.466 2.315 20 0 DEADHO CN(CCOc1ccccc1Cl)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923302581 637101451 /nfs/dbraw/zinc/10/14/51/637101451.db2.gz WWKOTXLPQSEEPD-CYBMUJFWSA-N 1 3 310.825 2.029 20 0 DEADHO c1ccc2c(c1)OC[C@@H](CN1CCC([C@H]3CC[NH2+]C3)CC1)O2 ZINC000923358048 637133241 /nfs/dbraw/zinc/13/32/41/637133241.db2.gz WKXZXTFVVOORNK-JKSUJKDBSA-N 1 3 302.418 2.148 20 0 DEADHO c1cc(CN2CCN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)ccn1 ZINC000923373658 637144228 /nfs/dbraw/zinc/14/42/28/637144228.db2.gz OJGMQVISISCYNH-YQQQUEKLSA-N 1 3 314.477 2.120 20 0 DEADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc3[nH]c(=O)[nH]c3c1)C2 ZINC000894748263 637189217 /nfs/dbraw/zinc/18/92/17/637189217.db2.gz LHBXIZUMGFJYJJ-PBWFPOADSA-N 1 3 300.406 2.326 20 0 DEADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccc3[nH]c(=O)[nH]c3c1)C2 ZINC000894748263 637189218 /nfs/dbraw/zinc/18/92/18/637189218.db2.gz LHBXIZUMGFJYJJ-PBWFPOADSA-N 1 3 300.406 2.326 20 0 DEADHO Cc1csc(=O)n1CCN1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923502781 637212485 /nfs/dbraw/zinc/21/24/85/637212485.db2.gz AMQFQOBKEYBGDQ-HNNXBMFYSA-N 1 3 323.506 2.320 20 0 DEADHO Cc1ccc(N2CC[C@H](N3CC[C@@H](C[NH3+])[C@@H](C)C3)C2=O)cc1 ZINC000923498475 637215381 /nfs/dbraw/zinc/21/53/81/637215381.db2.gz PRBVVICEENMKCB-ZOBUZTSGSA-N 1 3 301.434 2.017 20 0 DEADHO [NH3+][C@@H]1CC[C@H](CN2C[C@@H](C[C@H]3COCCN3)c3ccccc32)C1 ZINC000923540748 637238608 /nfs/dbraw/zinc/23/86/08/637238608.db2.gz NBUAIJGYIXIIBG-HZMVEIRTSA-N 1 3 315.461 2.096 20 0 DEADHO CC1CCN(CC(=O)N(C)C2CC[NH+](CCC3CC3)CC2)CC1 ZINC001006183333 637269470 /nfs/dbraw/zinc/26/94/70/637269470.db2.gz KXMCYPNYCWVFAW-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[NH2+][C@H](C)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001029144152 637274875 /nfs/dbraw/zinc/27/48/75/637274875.db2.gz RRFRIALEOFSHLT-OAHLLOKOSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001029306203 637581555 /nfs/dbraw/zinc/58/15/55/637581555.db2.gz MFYWFOSGZHTLMP-FGTMMUONSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001029306203 637581559 /nfs/dbraw/zinc/58/15/59/637581559.db2.gz MFYWFOSGZHTLMP-FGTMMUONSA-N 1 3 319.493 2.335 20 0 DEADHO C[C@H]([NH2+][C@H]1C(=O)NCC1(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000895324635 637931094 /nfs/dbraw/zinc/93/10/94/637931094.db2.gz QXQBJLHSTQJOIZ-UAGQMJEPSA-N 1 3 315.461 2.011 20 0 DEADHO COCCN(Cc1cccc2c1OCC2)CC1CC[NH+](C)CC1 ZINC000895691796 638146813 /nfs/dbraw/zinc/14/68/13/638146813.db2.gz MATXYDNPQDOQNP-UHFFFAOYSA-N 1 3 318.461 2.412 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H](N[C@H]2CCCC[NH2+]C2)C1 ZINC000841091343 650428853 /nfs/dbraw/zinc/42/88/53/650428853.db2.gz VTSOWXMPFMWQCO-MCIONIFRSA-N 1 3 318.408 2.475 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccsc3)C2)C1 ZINC000984806427 638694167 /nfs/dbraw/zinc/69/41/67/638694167.db2.gz XWWNMWKWSGIOAN-BPUTZDHNSA-N 1 3 321.490 2.074 20 0 DEADHO C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)N1CCCCCC1 ZINC001029502972 639001007 /nfs/dbraw/zinc/00/10/07/639001007.db2.gz FAAKIEKIQODGQD-RYQLBKOJSA-N 1 3 319.493 2.336 20 0 DEADHO C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)N1CCCCCC1 ZINC001029502972 639001008 /nfs/dbraw/zinc/00/10/08/639001008.db2.gz FAAKIEKIQODGQD-RYQLBKOJSA-N 1 3 319.493 2.336 20 0 DEADHO C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2CC1CC1)[NH+]1CCCCCC1 ZINC001029502972 639001012 /nfs/dbraw/zinc/00/10/12/639001012.db2.gz FAAKIEKIQODGQD-RYQLBKOJSA-N 1 3 319.493 2.336 20 0 DEADHO CC1CC(C[N@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000985333182 639290914 /nfs/dbraw/zinc/29/09/14/639290914.db2.gz ZPKBCUNXEXTBAT-VMBOVVBDSA-N 1 3 307.482 2.050 20 0 DEADHO CC1CC(C[N@@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000985333182 639290916 /nfs/dbraw/zinc/29/09/16/639290916.db2.gz ZPKBCUNXEXTBAT-VMBOVVBDSA-N 1 3 307.482 2.050 20 0 DEADHO CC1CC(C[N@H+](C)C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC000985467228 639451037 /nfs/dbraw/zinc/45/10/37/639451037.db2.gz JKTYIWQYFZQTOF-JTTJXQCZSA-N 1 3 321.509 2.296 20 0 DEADHO CC1CC(C[N@@H+](C)C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC000985467228 639451042 /nfs/dbraw/zinc/45/10/42/639451042.db2.gz JKTYIWQYFZQTOF-JTTJXQCZSA-N 1 3 321.509 2.296 20 0 DEADHO CN1CCCC[C@H]1CC[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000839576650 639759661 /nfs/dbraw/zinc/75/96/61/639759661.db2.gz PYIIFUJYNPWNAC-HOTGVXAUSA-N 1 3 306.454 2.030 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)CC2CCC2)CC1 ZINC001029944962 639920450 /nfs/dbraw/zinc/92/04/50/639920450.db2.gz TVGNREXYFFZETM-KRWDZBQOSA-N 1 3 307.482 2.051 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CC2CCC2)CC1 ZINC001029944962 639920456 /nfs/dbraw/zinc/92/04/56/639920456.db2.gz TVGNREXYFFZETM-KRWDZBQOSA-N 1 3 307.482 2.051 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc(Cl)n1 ZINC000841849079 650578519 /nfs/dbraw/zinc/57/85/19/650578519.db2.gz PHHHNYXTNFNISC-BNOWGMLFSA-N 1 3 324.856 2.067 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)N[C@@H](C[NH3+])C2CCCC2)cc(Cl)n1 ZINC000841858004 650582456 /nfs/dbraw/zinc/58/24/56/650582456.db2.gz XYDCTKCAVXIFPP-KBPBESRZSA-N 1 3 324.856 2.067 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CC2CCCC2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989449234 640994583 /nfs/dbraw/zinc/99/45/83/640994583.db2.gz FNBNUJMUHHQJSY-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO CC[NH+]1CCC(N[C@H](CC(=O)OC)Cc2ccccc2)CC1 ZINC000898302278 641094142 /nfs/dbraw/zinc/09/41/42/641094142.db2.gz UNWZMEKRUKVDFW-KRWDZBQOSA-N 1 3 304.434 2.235 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)CN1C(=O)Cc1c[nH]cn1 ZINC000989493336 641123870 /nfs/dbraw/zinc/12/38/70/641123870.db2.gz SIULBLOJEGBQOY-CZUORRHYSA-N 1 3 316.449 2.112 20 0 DEADHO CC(C)[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000989825374 641248347 /nfs/dbraw/zinc/24/83/47/641248347.db2.gz FBQMJBIXSNTMCV-PBHICJAKSA-N 1 3 303.450 2.349 20 0 DEADHO Cc1cc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c(C)o1 ZINC000769525358 641256370 /nfs/dbraw/zinc/25/63/70/641256370.db2.gz HLZZTWCKUFWGIX-KDOFPFPSSA-N 1 3 305.466 2.354 20 0 DEADHO Cc1cc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c(C)o1 ZINC000769525358 641256375 /nfs/dbraw/zinc/25/63/75/641256375.db2.gz HLZZTWCKUFWGIX-KDOFPFPSSA-N 1 3 305.466 2.354 20 0 DEADHO CCc1noc(C)c1[C@@H](C)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000769870987 641303426 /nfs/dbraw/zinc/30/34/26/641303426.db2.gz CBRSNXSFECFZPW-HIFRSBDPSA-N 1 3 320.481 2.365 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccnn2C2CCC2)CC1 ZINC000924657547 641549206 /nfs/dbraw/zinc/54/92/06/641549206.db2.gz HHIOBEBNYPRHHW-INIZCTEOSA-N 1 3 319.497 2.286 20 0 DEADHO CC(C)(C)OC(=O)N1CC[C@H]1C[NH2+]C1CCN(CC2CC2)CC1 ZINC000927000139 641571659 /nfs/dbraw/zinc/57/16/59/641571659.db2.gz ARFIPPKFGQQZNI-INIZCTEOSA-N 1 3 323.481 2.460 20 0 DEADHO CC(C)(C)OC(=O)N1CC[C@H]1CNC1CC[NH+](CC2CC2)CC1 ZINC000927000139 641571667 /nfs/dbraw/zinc/57/16/67/641571667.db2.gz ARFIPPKFGQQZNI-INIZCTEOSA-N 1 3 323.481 2.460 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2CCOC23CCOCC3)C1 ZINC000924683573 641578178 /nfs/dbraw/zinc/57/81/78/641578178.db2.gz GTYSNKKSGUIFGO-IXDOHACOSA-N 1 3 310.482 2.282 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CCOC23CCOCC3)C1 ZINC000924683573 641578183 /nfs/dbraw/zinc/57/81/83/641578183.db2.gz GTYSNKKSGUIFGO-IXDOHACOSA-N 1 3 310.482 2.282 20 0 DEADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@@H]2CCOC23CCOCC3)C1 ZINC000924683573 641578187 /nfs/dbraw/zinc/57/81/87/641578187.db2.gz GTYSNKKSGUIFGO-IXDOHACOSA-N 1 3 310.482 2.282 20 0 DEADHO CCC1([NH+]2CCC2)CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000899559811 642106984 /nfs/dbraw/zinc/10/69/84/642106984.db2.gz ZQTHTWPRRMLZMR-INIZCTEOSA-N 1 3 305.466 2.090 20 0 DEADHO CN(C)[C@H](CNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)c1ccccc1 ZINC000899941764 642217558 /nfs/dbraw/zinc/21/75/58/642217558.db2.gz KCXPZFUMPRRTJM-RCCFBDPRSA-N 1 3 315.461 2.422 20 0 DEADHO CN(C)[C@H](CNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)c1ccccc1 ZINC000899941764 642217559 /nfs/dbraw/zinc/21/75/59/642217559.db2.gz KCXPZFUMPRRTJM-RCCFBDPRSA-N 1 3 315.461 2.422 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)N1CCC(C)CC1 ZINC000900404824 642358723 /nfs/dbraw/zinc/35/87/23/642358723.db2.gz AAQSJYXXFFEIPX-BRWVUGGUSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)N1CCC(C)CC1 ZINC000900404824 642358730 /nfs/dbraw/zinc/35/87/30/642358730.db2.gz AAQSJYXXFFEIPX-BRWVUGGUSA-N 1 3 307.482 2.240 20 0 DEADHO CC1(C)C[NH2+]CC[C@@H](N[C@H]2CCN(C(=O)C3CCCC3)C2)C1 ZINC000902347250 643002842 /nfs/dbraw/zinc/00/28/42/643002842.db2.gz ICSIPWOIRBCKGO-CVEARBPZSA-N 1 3 307.482 2.145 20 0 DEADHO c1cc(CN2CCC(NC[C@@H]3CCCCC[NH2+]3)CC2)ccn1 ZINC000902485049 643057049 /nfs/dbraw/zinc/05/70/49/643057049.db2.gz YNMPWJZDSJDAAA-SFHVURJKSA-N 1 3 302.466 2.168 20 0 DEADHO CO[C@@H]1CCOC[C@H]1N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000903299296 643309711 /nfs/dbraw/zinc/30/97/11/643309711.db2.gz KWUDLMLIDDEIHY-BMGDILEWSA-N 1 3 322.449 2.082 20 0 DEADHO CC[C@H](CN1CCOCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000903342988 643319934 /nfs/dbraw/zinc/31/99/34/643319934.db2.gz LVHMBDNVMXFFGX-QGZVFWFLSA-N 1 3 323.525 2.484 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000903457469 643357500 /nfs/dbraw/zinc/35/75/00/643357500.db2.gz UFXKHSMCHWDOCV-NEPJUHHUSA-N 1 3 316.371 2.394 20 0 DEADHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786838997 643416832 /nfs/dbraw/zinc/41/68/32/643416832.db2.gz PLAZXQOBQWGVAC-GJZGRUSLSA-N 1 3 316.449 2.209 20 0 DEADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786838997 643416834 /nfs/dbraw/zinc/41/68/34/643416834.db2.gz PLAZXQOBQWGVAC-GJZGRUSLSA-N 1 3 316.449 2.209 20 0 DEADHO Cc1cccc(OCCN(C)C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)c1 ZINC000903718573 643437863 /nfs/dbraw/zinc/43/78/63/643437863.db2.gz PCEPUHZLVPHTMY-ROUUACIJSA-N 1 3 304.434 2.074 20 0 DEADHO CCN(Cc1ccc2c(c1)OCO2)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718478 643438010 /nfs/dbraw/zinc/43/80/10/643438010.db2.gz NEKXACDSGCAWEC-YJBOKZPZSA-N 1 3 318.417 2.006 20 0 DEADHO Cc1ccccc1OCCN(C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718144 643438073 /nfs/dbraw/zinc/43/80/73/643438073.db2.gz HKRHZIQRJSKKJQ-QGZVFWFLSA-N 1 3 318.461 2.464 20 0 DEADHO Cc1cc([C@@H]2CCCN2C[C@H]2CC3(CO2)CC[NH2+]CC3)on1 ZINC000903721870 643439068 /nfs/dbraw/zinc/43/90/68/643439068.db2.gz FRVPVGIHMZQERE-CABCVRRESA-N 1 3 305.422 2.279 20 0 DEADHO CCCCN(C)C(=O)C1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903722980 643440177 /nfs/dbraw/zinc/44/01/77/643440177.db2.gz RFSGQLCZKQSCHH-MRXNPFEDSA-N 1 3 309.498 2.347 20 0 DEADHO COc1cccc(SCC[N@H+](C)C2(CN)CCOCC2)c1 ZINC000903810166 643471160 /nfs/dbraw/zinc/47/11/60/643471160.db2.gz ZWTFSQQWEJNYPZ-UHFFFAOYSA-N 1 3 310.463 2.227 20 0 DEADHO COc1cccc(SCC[N@@H+](C)C2(CN)CCOCC2)c1 ZINC000903810166 643471161 /nfs/dbraw/zinc/47/11/61/643471161.db2.gz ZWTFSQQWEJNYPZ-UHFFFAOYSA-N 1 3 310.463 2.227 20 0 DEADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN[C@H]1C[C@@H]1C1CCCCC1 ZINC000903927375 643511313 /nfs/dbraw/zinc/51/13/13/643511313.db2.gz RGDFBOLJDUEGJG-OIISXLGYSA-N 1 3 303.454 2.261 20 0 DEADHO CC(C)(C)[C@H]1CCCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903918084 643517922 /nfs/dbraw/zinc/51/79/22/643517922.db2.gz ROIXXBUZFSANEL-LSDHHAIUSA-N 1 3 305.470 2.461 20 0 DEADHO C[C@]1(CN2CCC(OC[C@@H]3CCCCO3)CC2)CCC[NH2+]C1 ZINC000904326422 643637477 /nfs/dbraw/zinc/63/74/77/643637477.db2.gz JESVUCAPUDBNKL-ROUUACIJSA-N 1 3 310.482 2.426 20 0 DEADHO CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904349026 643642930 /nfs/dbraw/zinc/64/29/30/643642930.db2.gz ZVISZZJQFYOSNZ-SCTDSRPQSA-N 1 3 316.445 2.364 20 0 DEADHO C[C@]1(CN2C[C@@H]3COC[C@]3(c3ccccc3)C2)CCC[NH2+]C1 ZINC000904389245 643651212 /nfs/dbraw/zinc/65/12/12/643651212.db2.gz VJRSSWPJMWDRPF-QYZOEREBSA-N 1 3 300.446 2.276 20 0 DEADHO COc1ccc(CN2CC[C@H](C[NH3+])[C@H](C)C2)c(OC)c1OC ZINC000904412254 643662914 /nfs/dbraw/zinc/66/29/14/643662914.db2.gz QYLSVJGYJCCHOX-CHWSQXEVSA-N 1 3 308.422 2.129 20 0 DEADHO CC(C)[NH+]1CCC(NC[C@@H](O)CC[C@H](O)c2ccccc2)CC1 ZINC000905028936 643775918 /nfs/dbraw/zinc/77/59/18/643775918.db2.gz UYBFWQPDLJJIRH-OALUTQOASA-N 1 3 320.477 2.324 20 0 DEADHO C[NH+](C)CC1(CNC[C@@H](O)CC2(O)CCCCC2)CCCC1 ZINC000905213505 643833932 /nfs/dbraw/zinc/83/39/32/643833932.db2.gz PDMFQWFGLOLETE-INIZCTEOSA-N 1 3 312.498 2.144 20 0 DEADHO CN1c2ccc(CN3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cc2CCC1=O ZINC000843059909 650880806 /nfs/dbraw/zinc/88/08/06/650880806.db2.gz UNIFKCDHHDVUAM-ULQDDVLXSA-N 1 3 313.445 2.155 20 0 DEADHO CC1(C)CC(NC[C@@H](O)CC2(CO)CCCC2)CC(C)(C)[NH2+]1 ZINC000905871536 644066630 /nfs/dbraw/zinc/06/66/30/644066630.db2.gz WZIZTKGIPXKSHW-HNNXBMFYSA-N 1 3 312.498 2.189 20 0 DEADHO COC(=O)COc1c(C)cc(CN[C@@H](C)C[C@H](C)[NH3+])cc1C ZINC000843129937 650902777 /nfs/dbraw/zinc/90/27/77/650902777.db2.gz UZOPPJXQCGUCNE-KBPBESRZSA-N 1 3 308.422 2.071 20 0 DEADHO N[C@H]1C[C@H]([NH2+]CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000906517969 644270505 /nfs/dbraw/zinc/27/05/05/644270505.db2.gz LJSUDAFBZRUTNN-QAQDUYKDSA-N 1 3 317.433 2.115 20 0 DEADHO [NH3+][C@H]1C[C@H](NCC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000906517969 644270511 /nfs/dbraw/zinc/27/05/11/644270511.db2.gz LJSUDAFBZRUTNN-QAQDUYKDSA-N 1 3 317.433 2.115 20 0 DEADHO C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000798499090 645026878 /nfs/dbraw/zinc/02/68/78/645026878.db2.gz LOBUOOXMCIQVAK-NZSAHSFTSA-N 1 3 301.478 2.438 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccnc(Cl)c2)CC1 ZINC000155676787 645210858 /nfs/dbraw/zinc/21/08/58/645210858.db2.gz XTFFHJZAQYWBAE-ZIAGYGMSSA-N 1 3 310.873 2.412 20 0 DEADHO N[C@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)C1CCCCCC1 ZINC000911842391 645847328 /nfs/dbraw/zinc/84/73/28/645847328.db2.gz VEZXLUPSFATKMJ-KRWDZBQOSA-N 1 3 307.482 2.275 20 0 DEADHO C[C@H](CNC(=O)NC[C@@H]1CCCCN1C)[N@@H+]1CCCC[C@H]1C ZINC000911974215 645897193 /nfs/dbraw/zinc/89/71/93/645897193.db2.gz SRFIUXMLAZRTQM-OAGGEKHMSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H](CNC(=O)NC[C@@H]1CCCCN1C)[N@H+]1CCCC[C@H]1C ZINC000911974215 645897198 /nfs/dbraw/zinc/89/71/98/645897198.db2.gz SRFIUXMLAZRTQM-OAGGEKHMSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H]2CCCCN2C)C1 ZINC000912002824 645906106 /nfs/dbraw/zinc/90/61/06/645906106.db2.gz UNSPKNNAPQCCOP-IRXDYDNUSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H]2CCCCN2C)C1 ZINC000912002824 645906109 /nfs/dbraw/zinc/90/61/09/645906109.db2.gz UNSPKNNAPQCCOP-IRXDYDNUSA-N 1 3 324.513 2.282 20 0 DEADHO C[NH+](C)[C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000811458095 646533216 /nfs/dbraw/zinc/53/32/16/646533216.db2.gz UCPAZTZCDAAOAI-PBHICJAKSA-N 1 3 313.461 2.142 20 0 DEADHO Cc1cc(F)ccc1[C@H](C)[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000815575978 647032127 /nfs/dbraw/zinc/03/21/27/647032127.db2.gz GLHRKSQWWUNKIP-LSDHHAIUSA-N 1 3 321.440 2.372 20 0 DEADHO Cc1cc(F)ccc1[C@H](C)[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000815575976 647032208 /nfs/dbraw/zinc/03/22/08/647032208.db2.gz GLHRKSQWWUNKIP-GJZGRUSLSA-N 1 3 321.440 2.372 20 0 DEADHO C[C@H](NCCc1ccc(Br)cc1F)C1C[NH2+]C1 ZINC000817902253 647377450 /nfs/dbraw/zinc/37/74/50/647377450.db2.gz LTBUUYJEZVXOTG-VIFPVBQESA-N 1 3 301.203 2.328 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@](C)(O)c1cccs1 ZINC000817911567 647379934 /nfs/dbraw/zinc/37/99/34/647379934.db2.gz CLQYFKXXIFFSLF-BDJLRTHQSA-N 1 3 305.447 2.469 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cccc(C[NH3+])c1 ZINC000818610762 647488485 /nfs/dbraw/zinc/48/84/85/647488485.db2.gz RVTWCCNHVCTAFL-HNAYVOBHSA-N 1 3 323.440 2.396 20 0 DEADHO CC(C)N1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001015603280 647492467 /nfs/dbraw/zinc/49/24/67/647492467.db2.gz QMLNCMMJIKDVBA-WBVHZDCISA-N 1 3 307.482 2.382 20 0 DEADHO CC(C)N1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001015603280 647492469 /nfs/dbraw/zinc/49/24/69/647492469.db2.gz QMLNCMMJIKDVBA-WBVHZDCISA-N 1 3 307.482 2.382 20 0 DEADHO O[C@H](C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccccc1 ZINC000819173733 647601199 /nfs/dbraw/zinc/60/11/99/647601199.db2.gz MKXQKNWAWGWRFL-IPMKNSEASA-N 1 3 318.461 2.078 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](NC(=O)C23CCCN2CCC3)[C@@H]1C ZINC000993526861 647689864 /nfs/dbraw/zinc/68/98/64/647689864.db2.gz IBSOUFOZQUYDEI-JKSUJKDBSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](NC(=O)C23CCCN2CCC3)[C@@H]1C ZINC000993526861 647689867 /nfs/dbraw/zinc/68/98/67/647689867.db2.gz IBSOUFOZQUYDEI-JKSUJKDBSA-N 1 3 307.482 2.240 20 0 DEADHO CO[C@@H]1CC[C@H](N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000821362239 648043825 /nfs/dbraw/zinc/04/38/25/648043825.db2.gz FCGQNJHKSYQCFC-XWTMOSNGSA-N 1 3 309.498 2.044 20 0 DEADHO CO[C@@H]1CC[C@H](N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000821362239 648043834 /nfs/dbraw/zinc/04/38/34/648043834.db2.gz FCGQNJHKSYQCFC-XWTMOSNGSA-N 1 3 309.498 2.044 20 0 DEADHO C[C@H]1[C@@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)CCN1C ZINC000921362321 648294053 /nfs/dbraw/zinc/29/40/53/648294053.db2.gz IYBIZAJWBZBIDG-OTBWCIGPSA-N 1 3 322.497 2.175 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000825548026 648778790 /nfs/dbraw/zinc/77/87/90/648778790.db2.gz VEDLQYLLAJCCDH-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO CN(C(=O)[C@@H]1CCCN1C)[C@@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000948246602 648846884 /nfs/dbraw/zinc/84/68/84/648846884.db2.gz YTFSNAFVDITSIW-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO CN(C(=O)[C@@H]1CCCN1C)[C@@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000948246602 648846888 /nfs/dbraw/zinc/84/68/88/648846888.db2.gz YTFSNAFVDITSIW-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)NCC[NH+]2CCCCC2)cc(Cl)n1 ZINC000827075932 648967527 /nfs/dbraw/zinc/96/75/27/648967527.db2.gz IDABFQKEWNLMPQ-AWEZNQCLSA-N 1 3 324.856 2.035 20 0 DEADHO Cc1ccc([C@H](CNC(=O)c2cccc(C[NH3+])c2)N(C)C)cc1 ZINC000827815107 649089890 /nfs/dbraw/zinc/08/98/90/649089890.db2.gz NESSOEZGBBUZAK-SFHVURJKSA-N 1 3 311.429 2.486 20 0 DEADHO C[C@@H]1C[N@H+](CC2CC2)CC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942555722 649245578 /nfs/dbraw/zinc/24/55/78/649245578.db2.gz OWLLJAJWRQPWEX-ZBFHGGJFSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1C[N@@H+](CC2CC2)CC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942555722 649245581 /nfs/dbraw/zinc/24/55/81/649245581.db2.gz OWLLJAJWRQPWEX-ZBFHGGJFSA-N 1 3 307.482 2.097 20 0 DEADHO CO[C@H](C)CN(C)Cc1cncc(C[N@H+](C)C[C@@H](C)OC)c1 ZINC000829767914 649353076 /nfs/dbraw/zinc/35/30/76/649353076.db2.gz HWBOGDGKCOMCGF-HUUCEWRRSA-N 1 3 309.454 2.015 20 0 DEADHO CO[C@H](C)CN(C)Cc1cncc(C[N@@H+](C)C[C@@H](C)OC)c1 ZINC000829767914 649353078 /nfs/dbraw/zinc/35/30/78/649353078.db2.gz HWBOGDGKCOMCGF-HUUCEWRRSA-N 1 3 309.454 2.015 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000830209435 649410540 /nfs/dbraw/zinc/41/05/40/649410540.db2.gz KNLJOLPJEWRDOM-IAGOWNOFSA-N 1 3 318.465 2.063 20 0 DEADHO CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000945029578 649600642 /nfs/dbraw/zinc/60/06/42/649600642.db2.gz TYNGPUFYAUFUAZ-RHSMWYFYSA-N 1 3 303.450 2.208 20 0 DEADHO CC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000945029578 649600644 /nfs/dbraw/zinc/60/06/44/649600644.db2.gz TYNGPUFYAUFUAZ-RHSMWYFYSA-N 1 3 303.450 2.208 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)c1cccc(C[NH3+])c1 ZINC000844173236 651086039 /nfs/dbraw/zinc/08/60/39/651086039.db2.gz RXSRFEQLPGQQMH-UHFFFAOYSA-N 1 3 313.401 2.468 20 0 DEADHO [NH3+]CCCCCCCN1CCN(Cc2cccc(O)c2)CC1 ZINC000844221797 651096147 /nfs/dbraw/zinc/09/61/47/651096147.db2.gz KZMUZLLWAWQQGA-UHFFFAOYSA-N 1 3 305.466 2.419 20 0 DEADHO C[NH+]1CCC([C@H]2CCN(CN3C(=O)CC34CCCC4)C2)CC1 ZINC000844697337 651156664 /nfs/dbraw/zinc/15/66/64/651156664.db2.gz HDFSXEXCTSXZQB-INIZCTEOSA-N 1 3 305.466 2.153 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000847333257 651389802 /nfs/dbraw/zinc/38/98/02/651389802.db2.gz XLHIXXCATIFESU-HZPDHXFCSA-N 1 3 324.513 2.375 20 0 DEADHO COC(=O)Cc1ccccc1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000848572924 651473001 /nfs/dbraw/zinc/47/30/01/651473001.db2.gz NRVVPFXVSVSNQZ-RCCFBDPRSA-N 1 3 316.445 2.365 20 0 DEADHO COC(=O)Cc1ccccc1CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000848572924 651473004 /nfs/dbraw/zinc/47/30/04/651473004.db2.gz NRVVPFXVSVSNQZ-RCCFBDPRSA-N 1 3 316.445 2.365 20 0 DEADHO COC(=O)/C=C/c1ccc(CNCC2(C)CC[NH+](C)CC2)o1 ZINC000848900588 651551071 /nfs/dbraw/zinc/55/10/71/651551071.db2.gz HYTUEWWDUKUPCD-VOTSOKGWSA-N 1 3 306.406 2.287 20 0 DEADHO C[C@@H]1C[C@H]1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000848990368 651572976 /nfs/dbraw/zinc/57/29/76/651572976.db2.gz DSSMTPIBZBAOFR-ZBFHGGJFSA-N 1 3 300.450 2.421 20 0 DEADHO CO[C@H](C)CCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849001272 651577497 /nfs/dbraw/zinc/57/74/97/651577497.db2.gz LKPSAFDHXCBHNC-OAHLLOKOSA-N 1 3 318.465 2.190 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](SC)C(C)(C)C ZINC000849018098 651584179 /nfs/dbraw/zinc/58/41/79/651584179.db2.gz UZIYLYJTDNEGBJ-CHWSQXEVSA-N 1 3 300.516 2.362 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C/c1ccccc1F ZINC000855346329 651680029 /nfs/dbraw/zinc/68/00/29/651680029.db2.gz WZPKKBALIWCVIQ-NKSUMMKUSA-N 1 3 321.440 2.227 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C/c1ccccc1F ZINC000855346329 651680032 /nfs/dbraw/zinc/68/00/32/651680032.db2.gz WZPKKBALIWCVIQ-NKSUMMKUSA-N 1 3 321.440 2.227 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001389801136 1155435820 /nfs/dbraw/zinc/43/58/20/1155435820.db2.gz XNSLVARWVCKNMZ-IXDOHACOSA-N 1 3 311.514 2.445 20 0 DEADHO CCC[N@H+](C)CC(C)(C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000856281752 651887291 /nfs/dbraw/zinc/88/72/91/651887291.db2.gz JRPGAOAKFJTTPN-KRWDZBQOSA-N 1 3 315.477 2.436 20 0 DEADHO CCC[N@@H+](C)CC(C)(C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000856281752 651887293 /nfs/dbraw/zinc/88/72/93/651887293.db2.gz JRPGAOAKFJTTPN-KRWDZBQOSA-N 1 3 315.477 2.436 20 0 DEADHO C[C@H]([NH3+])CCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000857112467 652053635 /nfs/dbraw/zinc/05/36/35/652053635.db2.gz MIRAOVGHEGSWEX-DOTOQJQBSA-N 1 3 318.465 2.030 20 0 DEADHO CCOC(=O)[C@]1(F)CN(CCC2CC[NH2+]CC2)CC12CCC2 ZINC000852754679 652450581 /nfs/dbraw/zinc/45/05/81/652450581.db2.gz IWNKBNZHMWPMAT-QGZVFWFLSA-N 1 3 312.429 2.133 20 0 DEADHO CCOC(=O)[C@@]1(F)CN(CC[C@@H]2CCC[NH2+]C2)CC12CCC2 ZINC000852754982 652451415 /nfs/dbraw/zinc/45/14/15/652451415.db2.gz RQPBSSJVBJBXDY-YOEHRIQHSA-N 1 3 312.429 2.133 20 0 DEADHO CCc1nc(Cl)c(C)c(NCC[N@H+](C)CCCN(C)C)n1 ZINC000853800021 652605571 /nfs/dbraw/zinc/60/55/71/652605571.db2.gz XLWGZWVDINRKQF-UHFFFAOYSA-N 1 3 313.877 2.296 20 0 DEADHO CCc1nc(Cl)c(C)c(NCC[N@@H+](C)CCCN(C)C)n1 ZINC000853800021 652605572 /nfs/dbraw/zinc/60/55/72/652605572.db2.gz XLWGZWVDINRKQF-UHFFFAOYSA-N 1 3 313.877 2.296 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](C)CC[C@@H]1CCCC1(F)F)N(C)C ZINC001390820562 1155883092 /nfs/dbraw/zinc/88/30/92/1155883092.db2.gz VRPWZSDVCKZZOX-KBPBESRZSA-N 1 3 319.440 2.200 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](C)CC[C@@H]1CCCC1(F)F)N(C)C ZINC001390820562 1155883093 /nfs/dbraw/zinc/88/30/93/1155883093.db2.gz VRPWZSDVCKZZOX-KBPBESRZSA-N 1 3 319.440 2.200 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+](CCC(C)(C)C)C1)N(C)C ZINC001372630686 1156617940 /nfs/dbraw/zinc/61/79/40/1156617940.db2.gz VZGSXWVRYFHZQA-CVEARBPZSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCC(C)(C)C)C1)N(C)C ZINC001372630686 1156617960 /nfs/dbraw/zinc/61/79/60/1156617960.db2.gz VZGSXWVRYFHZQA-CVEARBPZSA-N 1 3 311.514 2.447 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1)N(C)C ZINC001372665936 1156657047 /nfs/dbraw/zinc/65/70/47/1156657047.db2.gz YCNYIALYOVWADK-HOCLYGCPSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001393210178 1157765464 /nfs/dbraw/zinc/76/54/64/1157765464.db2.gz YGBYAOQUDOZPPO-FUHWJXTLSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)C[N@H+]1CCC[C@](C)(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001393210178 1157765479 /nfs/dbraw/zinc/76/54/79/1157765479.db2.gz YGBYAOQUDOZPPO-FUHWJXTLSA-N 1 3 311.514 2.447 20 0 DEADHO CCC(CC)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001393881117 1158042893 /nfs/dbraw/zinc/04/28/93/1158042893.db2.gz MQJZDSVKXOXSGI-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CCC(CC)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001393881117 1158042900 /nfs/dbraw/zinc/04/29/00/1158042900.db2.gz MQJZDSVKXOXSGI-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001374894588 1158080276 /nfs/dbraw/zinc/08/02/76/1158080276.db2.gz MRIASEDSGDIXGL-HNNXBMFYSA-N 1 3 303.450 2.074 20 0 DEADHO CCC(CC)C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001394374806 1158446741 /nfs/dbraw/zinc/44/67/41/1158446741.db2.gz GPLMUDTYAHVDQX-DJIMGWMZSA-N 1 3 309.498 2.249 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CC[NH2+]C(C)(C)C ZINC000389987742 685436980 /nfs/dbraw/zinc/43/69/80/685436980.db2.gz MXPUYTJAUBGNPE-NVXWUHKLSA-N 1 3 317.477 2.401 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@H]1NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000396591350 685463022 /nfs/dbraw/zinc/46/30/22/685463022.db2.gz CJUNOMSOGWJKDA-QXAKKESOSA-N 1 3 317.477 2.008 20 0 DEADHO CN(C[C@H]1CCN1CCc1cccs1)C(=O)CCC[NH+](C)C ZINC001375459135 1158708254 /nfs/dbraw/zinc/70/82/54/1158708254.db2.gz PGIMGGGOTXNBRK-OAHLLOKOSA-N 1 3 323.506 2.165 20 0 DEADHO CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001054145596 693861876 /nfs/dbraw/zinc/86/18/76/693861876.db2.gz SUURDPAQIJYATM-FUHWJXTLSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001054145596 693861880 /nfs/dbraw/zinc/86/18/80/693861880.db2.gz SUURDPAQIJYATM-FUHWJXTLSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001054197976 693879890 /nfs/dbraw/zinc/87/98/90/693879890.db2.gz MOPLWJDQFXSTQZ-LPHOPBHVSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001054197976 693879893 /nfs/dbraw/zinc/87/98/93/693879893.db2.gz MOPLWJDQFXSTQZ-LPHOPBHVSA-N 1 3 319.493 2.195 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001054198002 693879902 /nfs/dbraw/zinc/87/99/02/693879902.db2.gz NCVVWHGLEUSRRO-PKOBYXMFSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001054198002 693879903 /nfs/dbraw/zinc/87/99/03/693879903.db2.gz NCVVWHGLEUSRRO-PKOBYXMFSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](CC(C)C)C2)C1)N(C)C ZINC001054199416 693880418 /nfs/dbraw/zinc/88/04/18/693880418.db2.gz WIEMDEGPUHVERG-WMZOPIPTSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CC(C)C)C2)C1)N(C)C ZINC001054199416 693880421 /nfs/dbraw/zinc/88/04/21/693880421.db2.gz WIEMDEGPUHVERG-WMZOPIPTSA-N 1 3 309.498 2.297 20 0 DEADHO CCCN1Cc2ccc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)cc2C1 ZINC001054266373 693907263 /nfs/dbraw/zinc/90/72/63/693907263.db2.gz VIKMSSXYNPEETR-RDTXWAMCSA-N 1 3 315.461 2.369 20 0 DEADHO CCCN1Cc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)cc2C1 ZINC001054266373 693907265 /nfs/dbraw/zinc/90/72/65/693907265.db2.gz VIKMSSXYNPEETR-RDTXWAMCSA-N 1 3 315.461 2.369 20 0 DEADHO CC(C)CN1Cc2ccc(CNC(=O)[C@@H]3CC[N@H+](C)C3)cc2C1 ZINC001054292340 693917158 /nfs/dbraw/zinc/91/71/58/693917158.db2.gz ZYBQKWOAGYSRPB-QGZVFWFLSA-N 1 3 315.461 2.226 20 0 DEADHO CC(C)CN1Cc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)cc2C1 ZINC001054292340 693917160 /nfs/dbraw/zinc/91/71/60/693917160.db2.gz ZYBQKWOAGYSRPB-QGZVFWFLSA-N 1 3 315.461 2.226 20 0 DEADHO CN(C)[C@H](CNC(=O)CC[NH2+]C(C)(C)C)Cc1ccccc1 ZINC000929468498 693961647 /nfs/dbraw/zinc/96/16/47/693961647.db2.gz KWEIWCGXZWDFIM-INIZCTEOSA-N 1 3 305.466 2.054 20 0 DEADHO C[C@H]1CC[C@H](NC2CCN(c3ccc(N(C)C)cc3)CC2)C[NH2+]1 ZINC000863484041 686508618 /nfs/dbraw/zinc/50/86/18/686508618.db2.gz GYQLQMJUILVNIK-RDJZCZTQSA-N 1 3 316.493 2.452 20 0 DEADHO CC(C)(C)c1ccc([C@@H](O)C[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000863563991 686523893 /nfs/dbraw/zinc/52/38/93/686523893.db2.gz SCTFFCLOVSEYBI-ROUUACIJSA-N 1 3 320.477 2.064 20 0 DEADHO CC(=O)Nc1cccc(C[NH+]2C[C@@]3(C)CN(C)C[C@]3(C)C2)c1 ZINC000864054326 686606261 /nfs/dbraw/zinc/60/62/61/686606261.db2.gz WQRVMTCJKZEPFA-QZTJIDSGSA-N 1 3 301.434 2.419 20 0 DEADHO C[C@H]1CN(CCc2cccc(F)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000930138063 694097885 /nfs/dbraw/zinc/09/78/85/694097885.db2.gz WRUMVWBZQKLUNN-LPHOPBHVSA-N 1 3 319.468 2.326 20 0 DEADHO C[C@H]1C[N@H+](CCc2cccc(F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000930138063 694097888 /nfs/dbraw/zinc/09/78/88/694097888.db2.gz WRUMVWBZQKLUNN-LPHOPBHVSA-N 1 3 319.468 2.326 20 0 DEADHO C[C@H]1C[N@@H+](CCc2cccc(F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000930138063 694097892 /nfs/dbraw/zinc/09/78/92/694097892.db2.gz WRUMVWBZQKLUNN-LPHOPBHVSA-N 1 3 319.468 2.326 20 0 DEADHO Cc1ccccc1CN1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001015998812 687494653 /nfs/dbraw/zinc/49/46/53/687494653.db2.gz QXNGUXSVMBVTTE-WMZOPIPTSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccccc1CN1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001015998812 687494656 /nfs/dbraw/zinc/49/46/56/687494656.db2.gz QXNGUXSVMBVTTE-WMZOPIPTSA-N 1 3 315.461 2.027 20 0 DEADHO C[C@H](F)CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001016329732 687593070 /nfs/dbraw/zinc/59/30/70/687593070.db2.gz MWIVYDPJOAXIQO-HOCLYGCPSA-N 1 3 321.440 2.300 20 0 DEADHO C[C@H](F)CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001016329732 687593073 /nfs/dbraw/zinc/59/30/73/687593073.db2.gz MWIVYDPJOAXIQO-HOCLYGCPSA-N 1 3 321.440 2.300 20 0 DEADHO COC(=O)/C=C\c1ccc(OCCN[C@](C)(C[NH3+])C(C)C)cc1 ZINC000866662071 687644197 /nfs/dbraw/zinc/64/41/97/687644197.db2.gz WMSWNCPCEYQUBG-IEODJVTJSA-N 1 3 320.433 2.215 20 0 DEADHO C[NH2+]C[C@](C)(O)CN1CCC[C@H](c2ccccc2OC)CC1 ZINC000866717710 687664093 /nfs/dbraw/zinc/66/40/93/687664093.db2.gz MXYKZNLHCQKCLK-YJBOKZPZSA-N 1 3 306.450 2.235 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC(C)C)CC2 ZINC001016650719 687674382 /nfs/dbraw/zinc/67/43/82/687674382.db2.gz AWZPRFANHSQHAV-IRXDYDNUSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@@H]2CC23CC[NH+](CCC2CC2)CC3)C1 ZINC001016819704 687709739 /nfs/dbraw/zinc/70/97/39/687709739.db2.gz MLKZYMAJATWNTE-DOTOQJQBSA-N 1 3 319.493 2.099 20 0 DEADHO CC1(C)[C@H]([NH3+])c2ccccc2N1C(=O)[C@@H](N)Cc1ccccc1 ZINC000867988972 687863363 /nfs/dbraw/zinc/86/33/63/687863363.db2.gz YRAQEZOENRXSFE-DOTOQJQBSA-N 1 3 309.413 2.382 20 0 DEADHO CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001017848491 687971722 /nfs/dbraw/zinc/97/17/22/687971722.db2.gz CEUKVKWPZPMEHX-LUKYLMHMSA-N 1 3 307.482 2.192 20 0 DEADHO CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001017848491 687971725 /nfs/dbraw/zinc/97/17/25/687971725.db2.gz CEUKVKWPZPMEHX-LUKYLMHMSA-N 1 3 307.482 2.192 20 0 DEADHO CC[C@@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)N(C)C ZINC001017904939 687994600 /nfs/dbraw/zinc/99/46/00/687994600.db2.gz IQNQIUMQQGYZJX-WCXIOVBPSA-N 1 3 309.498 2.294 20 0 DEADHO CC[C@@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)N(C)C ZINC001017904939 687994602 /nfs/dbraw/zinc/99/46/02/687994602.db2.gz IQNQIUMQQGYZJX-WCXIOVBPSA-N 1 3 309.498 2.294 20 0 DEADHO CC[C@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[C@H](C)C1 ZINC001017942915 688007076 /nfs/dbraw/zinc/00/70/76/688007076.db2.gz VMQQEZZESJWRPZ-LUKYLMHMSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[C@H](C)C1 ZINC001017942915 688007079 /nfs/dbraw/zinc/00/70/79/688007079.db2.gz VMQQEZZESJWRPZ-LUKYLMHMSA-N 1 3 307.482 2.050 20 0 DEADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cs1 ZINC001018966768 688263054 /nfs/dbraw/zinc/26/30/54/688263054.db2.gz RQQQBTRFBANDSO-JKSUJKDBSA-N 1 3 321.490 2.087 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001018999334 688267703 /nfs/dbraw/zinc/26/77/03/688267703.db2.gz OLJJSYFFNOUCSY-ROUUACIJSA-N 1 3 317.477 2.272 20 0 DEADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)c1ccccc1 ZINC001019241492 688305538 /nfs/dbraw/zinc/30/55/38/688305538.db2.gz BBWPLZCIEGLTLI-HYVNUMGLSA-N 1 3 301.434 2.032 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001019380898 688343243 /nfs/dbraw/zinc/34/32/43/688343243.db2.gz QHNMRLJZEOBLPF-PBHICJAKSA-N 1 3 319.424 2.001 20 0 DEADHO CC[C@@H]([NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001019436254 688356689 /nfs/dbraw/zinc/35/66/89/688356689.db2.gz USUWHPODSXFYLG-DOTOQJQBSA-N 1 3 312.417 2.294 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]([NH2+]CCC3CC3)C2)c1 ZINC001019811045 688412569 /nfs/dbraw/zinc/41/25/69/688412569.db2.gz WYXCESLYHRWCDI-SFHVURJKSA-N 1 3 315.461 2.352 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]([NH2+]CC3CCC3)C2)c1 ZINC001019810922 688412740 /nfs/dbraw/zinc/41/27/40/688412740.db2.gz QZVCRAKVHODCJL-SFHVURJKSA-N 1 3 315.461 2.352 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1)N(C)Cc1ccccc1 ZINC000870885583 688678396 /nfs/dbraw/zinc/67/83/96/688678396.db2.gz PGJSPOGGDJQLAK-OIISXLGYSA-N 1 3 303.450 2.141 20 0 DEADHO C[N@@H+]1CC[C@H](NCc2ccc3oc(=O)[nH]c3c2)[C@@H]2CCC[C@H]21 ZINC000872122842 688932624 /nfs/dbraw/zinc/93/26/24/688932624.db2.gz OVPWFEWKZCRFND-KCQAQPDRSA-N 1 3 301.390 2.496 20 0 DEADHO C[N@H+]1CC[C@H](NCc2ccc3oc(=O)[nH]c3c2)[C@@H]2CCC[C@H]21 ZINC000872122842 688932627 /nfs/dbraw/zinc/93/26/27/688932627.db2.gz OVPWFEWKZCRFND-KCQAQPDRSA-N 1 3 301.390 2.496 20 0 DEADHO C([C@@H]1CC2(CO1)CCOCC2)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000872143408 688935134 /nfs/dbraw/zinc/93/51/34/688935134.db2.gz RTHJBXAVZRVLEW-IKGGRYGDSA-N 1 3 308.466 2.036 20 0 DEADHO COC(=O)c1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1C ZINC000872142917 688935169 /nfs/dbraw/zinc/93/51/69/688935169.db2.gz FGRHOEWWSQVRKL-XIRDDKMYSA-N 1 3 302.418 2.341 20 0 DEADHO CN(CCCCCC[NH3+])CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000872155885 688940133 /nfs/dbraw/zinc/94/01/33/688940133.db2.gz ZQJZNQNNEBPPII-ZDUSSCGKSA-N 1 3 323.403 2.238 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1C[NH+](CC2CC(C)C2)C1 ZINC001032027075 689044676 /nfs/dbraw/zinc/04/46/76/689044676.db2.gz MVTWJDNPHNKGPS-LEOMRAHMSA-N 1 3 321.509 2.343 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NCC1C[NH+](CCC2CC2)C1 ZINC001032205193 689083176 /nfs/dbraw/zinc/08/31/76/689083176.db2.gz RCVSOPCVUQZFSF-UHFFFAOYSA-N 1 3 315.461 2.210 20 0 DEADHO c1c(CN2CC[C@@H](Oc3ccncc3)C2)sc2c1C[NH2+]CC2 ZINC000873208757 689183901 /nfs/dbraw/zinc/18/39/01/689183901.db2.gz UQVXIBPFVRNZFF-OAHLLOKOSA-N 1 3 315.442 2.442 20 0 DEADHO Cc1cc(C)cc(-n2ncc(CN[C@H](C)C3CC[NH2+]CC3)n2)c1 ZINC000873221604 689187443 /nfs/dbraw/zinc/18/74/43/689187443.db2.gz YMKISIPDEXBXGF-OAHLLOKOSA-N 1 3 313.449 2.362 20 0 DEADHO CCOC(=O)N1CCC([NH2+]CC[C@H](N)Cc2ccccc2)CC1 ZINC000873235917 689190780 /nfs/dbraw/zinc/19/07/80/689190780.db2.gz UUWCZJFLKORBNK-INIZCTEOSA-N 1 3 319.449 2.157 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC(C)C)C1 ZINC001032580903 689193305 /nfs/dbraw/zinc/19/33/05/689193305.db2.gz DGXCGMPBFBOWSJ-SQNIBIBYSA-N 1 3 321.509 2.440 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC(C)C)C1 ZINC001032580903 689193306 /nfs/dbraw/zinc/19/33/06/689193306.db2.gz DGXCGMPBFBOWSJ-SQNIBIBYSA-N 1 3 321.509 2.440 20 0 DEADHO Cc1cccc(CN2CCO[C@H](CN[C@H]3CCC[C@@H]([NH3+])C3)C2)c1 ZINC000873266935 689198163 /nfs/dbraw/zinc/19/81/63/689198163.db2.gz ULAQTRSTENTIGS-CEXWTWQISA-N 1 3 317.477 2.055 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001033125712 689398244 /nfs/dbraw/zinc/39/82/44/689398244.db2.gz HDDCJHGTONUAGQ-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001033125712 689398246 /nfs/dbraw/zinc/39/82/46/689398246.db2.gz HDDCJHGTONUAGQ-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CN(C(=O)[C@H](C1CC1)N1CCCC1)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001033295764 689452066 /nfs/dbraw/zinc/45/20/66/689452066.db2.gz NLPCBMYHBQRFRK-MSOLQXFVSA-N 1 3 319.493 2.194 20 0 DEADHO CN(C(=O)[C@H](C1CC1)N1CCCC1)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033295764 689452070 /nfs/dbraw/zinc/45/20/70/689452070.db2.gz NLPCBMYHBQRFRK-MSOLQXFVSA-N 1 3 319.493 2.194 20 0 DEADHO CC[C@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)N2CCCC2)C1 ZINC001033320338 689460778 /nfs/dbraw/zinc/46/07/78/689460778.db2.gz UYJOYTZONSCFBI-JKSUJKDBSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)N2CCCC2)C1 ZINC001033320338 689460782 /nfs/dbraw/zinc/46/07/82/689460782.db2.gz UYJOYTZONSCFBI-JKSUJKDBSA-N 1 3 309.498 2.440 20 0 DEADHO CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033365523 689477734 /nfs/dbraw/zinc/47/77/34/689477734.db2.gz OIPIGCKYTBSHCO-IRXDYDNUSA-N 1 3 307.482 2.336 20 0 DEADHO CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033365523 689477737 /nfs/dbraw/zinc/47/77/37/689477737.db2.gz OIPIGCKYTBSHCO-IRXDYDNUSA-N 1 3 307.482 2.336 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H]2[C@H]1CCCN2C)[NH+]1CCCCC1 ZINC000874846544 689515791 /nfs/dbraw/zinc/51/57/91/689515791.db2.gz YINSRONTHBXOCI-BRWVUGGUSA-N 1 3 307.482 2.192 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[C@H]([NH2+]CCF)CC2)c1 ZINC001034798419 689950094 /nfs/dbraw/zinc/95/00/94/689950094.db2.gz GLSXTXBMGWGKJN-QAQDUYKDSA-N 1 3 321.440 2.348 20 0 DEADHO CC(C)CN(C(=O)/C=C/[C@H]1CCC[NH2+]C1)C1CCN(C)CC1 ZINC000876876747 689961624 /nfs/dbraw/zinc/96/16/24/689961624.db2.gz UJHKQCGLXDCIRA-FYCOFBDGSA-N 1 3 307.482 2.121 20 0 DEADHO c1ccc([C@@H]2C[C@@H](NC[C@@H]3COCCO3)CC[N@@H+]2C2CC2)cc1 ZINC000876951876 689980911 /nfs/dbraw/zinc/98/09/11/689980911.db2.gz QLUWFXHLDZSQFP-UHOSZYNNSA-N 1 3 316.445 2.360 20 0 DEADHO c1ccc([C@@H]2C[C@@H](NC[C@@H]3COCCO3)CC[N@H+]2C2CC2)cc1 ZINC000876951876 689980914 /nfs/dbraw/zinc/98/09/14/689980914.db2.gz QLUWFXHLDZSQFP-UHOSZYNNSA-N 1 3 316.445 2.360 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccsc1)N(C)C ZINC001034974267 690002259 /nfs/dbraw/zinc/00/22/59/690002259.db2.gz FVFBRTIEUDINOL-HUUCEWRRSA-N 1 3 309.479 2.169 20 0 DEADHO CC(C)C[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@H]1C)CC2 ZINC001035227848 690067030 /nfs/dbraw/zinc/06/70/30/690067030.db2.gz AKFWOVXEDMWDIV-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@H]1C)CC2 ZINC001035227848 690067033 /nfs/dbraw/zinc/06/70/33/690067033.db2.gz AKFWOVXEDMWDIV-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)c1cccc(CN2CCCC2)c1 ZINC000877392845 690099208 /nfs/dbraw/zinc/09/92/08/690099208.db2.gz USHQWPZFUDYVGM-HKUYNNGSSA-N 1 3 313.445 2.297 20 0 DEADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000877451489 690116467 /nfs/dbraw/zinc/11/64/67/690116467.db2.gz NJBCXWGACCFKIK-BBWFWOEESA-N 1 3 315.461 2.408 20 0 DEADHO CCC[NH+]1CCN(c2ccccc2CNC2CSC2)CC1 ZINC000877634973 690174656 /nfs/dbraw/zinc/17/46/56/690174656.db2.gz XFUOVWGNFDYNNK-UHFFFAOYSA-N 1 3 305.491 2.424 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC2(C[NH+](CC3CC3)C2)CC1 ZINC001035858764 690195456 /nfs/dbraw/zinc/19/54/56/690195456.db2.gz ZCDYCWYTUIBZPG-KRWDZBQOSA-N 1 3 319.493 2.195 20 0 DEADHO CC(C)[NH2+][C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001036028607 690239793 /nfs/dbraw/zinc/23/97/93/690239793.db2.gz KHRYQUCXLUFSAI-HOTGVXAUSA-N 1 3 309.498 2.486 20 0 DEADHO CN1CCCC[C@@H]1CC[N@H+](C)C[C@H](O)CC1(O)CCCCC1 ZINC000878134778 690320677 /nfs/dbraw/zinc/32/06/77/690320677.db2.gz GYBWURNSNBHBTH-IAGOWNOFSA-N 1 3 312.498 2.239 20 0 DEADHO CN1CCCC[C@@H]1CC[N@@H+](C)C[C@H](O)CC1(O)CCCCC1 ZINC000878134778 690320681 /nfs/dbraw/zinc/32/06/81/690320681.db2.gz GYBWURNSNBHBTH-IAGOWNOFSA-N 1 3 312.498 2.239 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)CC2(CO)CCCC2)C[C@H]1C ZINC000878163586 690331532 /nfs/dbraw/zinc/33/15/32/690331532.db2.gz VIQSNGOCLPAUOO-IXDOHACOSA-N 1 3 312.498 2.095 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)CC2(CO)CCCC2)C[C@H]1C ZINC000878163586 690331536 /nfs/dbraw/zinc/33/15/36/690331536.db2.gz VIQSNGOCLPAUOO-IXDOHACOSA-N 1 3 312.498 2.095 20 0 DEADHO C[C@H]([NH2+]CC1CCC1)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001036411378 690344757 /nfs/dbraw/zinc/34/47/57/690344757.db2.gz KDKBWSFYLMTLCW-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN(CCc1cccs1)CC(=O)NC1CC[NH+](C)CC1 ZINC000878435185 690406170 /nfs/dbraw/zinc/40/61/70/690406170.db2.gz CRVFLVFPEKFDAY-UHFFFAOYSA-N 1 3 323.506 2.213 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@H]21 ZINC001036736339 690452386 /nfs/dbraw/zinc/45/23/86/690452386.db2.gz YOIXGKBYNBRMJE-DLBZAZTESA-N 1 3 319.493 2.360 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@H]21 ZINC001036736339 690452389 /nfs/dbraw/zinc/45/23/89/690452389.db2.gz YOIXGKBYNBRMJE-DLBZAZTESA-N 1 3 319.493 2.360 20 0 DEADHO CN(CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCC2CC2)C1)C1CCC1 ZINC001036737223 690452845 /nfs/dbraw/zinc/45/28/45/690452845.db2.gz NFZCROBCGJKPTO-AEFFLSMTSA-N 1 3 319.493 2.194 20 0 DEADHO CN(CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCC2CC2)C1)C1CCC1 ZINC001036737223 690452846 /nfs/dbraw/zinc/45/28/46/690452846.db2.gz NFZCROBCGJKPTO-AEFFLSMTSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@H](C(=O)N1CCCCC1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248784 690602562 /nfs/dbraw/zinc/60/25/62/690602562.db2.gz UFJAEMBTMSPJLR-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CC1CC1 ZINC001037853150 690623923 /nfs/dbraw/zinc/62/39/23/690623923.db2.gz NTHPEAASJCFIES-CVEARBPZSA-N 1 3 307.482 2.097 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC(C)(C)C ZINC001038320154 690778704 /nfs/dbraw/zinc/77/87/04/690778704.db2.gz GGGPKKFSAHHFMF-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC(C)(C)C ZINC001038320154 690778705 /nfs/dbraw/zinc/77/87/05/690778705.db2.gz GGGPKKFSAHHFMF-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CCOC(=O)CCCCN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880263447 690854656 /nfs/dbraw/zinc/85/46/56/690854656.db2.gz XUBCOURIIOGUPV-HNNXBMFYSA-N 1 3 305.422 2.326 20 0 DEADHO CC(C)CN1CC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038555214 690856374 /nfs/dbraw/zinc/85/63/74/690856374.db2.gz JUNLEVRPPCWRKN-QGZVFWFLSA-N 1 3 317.477 2.251 20 0 DEADHO C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CCN2CCC2CC2)cc1 ZINC001038820050 690934028 /nfs/dbraw/zinc/93/40/28/690934028.db2.gz ZWWURRSPMBYLLC-GOSISDBHSA-N 1 3 315.461 2.352 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2CCC2=CCCCC2)C1 ZINC001039025629 690997460 /nfs/dbraw/zinc/99/74/60/690997460.db2.gz AXKROWAKNJKIEO-IRXDYDNUSA-N 1 3 305.466 2.019 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2CCC2=CCCCC2)C1 ZINC001039025629 690997463 /nfs/dbraw/zinc/99/74/63/690997463.db2.gz AXKROWAKNJKIEO-IRXDYDNUSA-N 1 3 305.466 2.019 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001039051643 691003942 /nfs/dbraw/zinc/00/39/42/691003942.db2.gz XKNIUEBQHWULBQ-INIZCTEOSA-N 1 3 303.450 2.208 20 0 DEADHO CC(C)C[N@H+]1CC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001039051643 691003944 /nfs/dbraw/zinc/00/39/44/691003944.db2.gz XKNIUEBQHWULBQ-INIZCTEOSA-N 1 3 303.450 2.208 20 0 DEADHO CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001039112990 691022237 /nfs/dbraw/zinc/02/22/37/691022237.db2.gz KBIIJLZSNBSGGG-IAGOWNOFSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001039112990 691022239 /nfs/dbraw/zinc/02/22/39/691022239.db2.gz KBIIJLZSNBSGGG-IAGOWNOFSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001039163640 691036653 /nfs/dbraw/zinc/03/66/53/691036653.db2.gz FBPGHOYJFZMSPY-RDJZCZTQSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001039163640 691036655 /nfs/dbraw/zinc/03/66/55/691036655.db2.gz FBPGHOYJFZMSPY-RDJZCZTQSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001039165202 691037852 /nfs/dbraw/zinc/03/78/52/691037852.db2.gz OPHYUPMNNPZMJL-FUHWJXTLSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001039165202 691037853 /nfs/dbraw/zinc/03/78/53/691037853.db2.gz OPHYUPMNNPZMJL-FUHWJXTLSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)=CC[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040423043 691245650 /nfs/dbraw/zinc/24/56/50/691245650.db2.gz QMOHPYAIGVPQOY-SFHVURJKSA-N 1 3 316.449 2.233 20 0 DEADHO CC(C)=CC[N@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040423043 691245652 /nfs/dbraw/zinc/24/56/52/691245652.db2.gz QMOHPYAIGVPQOY-SFHVURJKSA-N 1 3 316.449 2.233 20 0 DEADHO CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001041358228 691367102 /nfs/dbraw/zinc/36/71/02/691367102.db2.gz MFUDIMVNHVYFBO-SJLPKXTDSA-N 1 3 307.482 2.051 20 0 DEADHO CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001041358228 691367107 /nfs/dbraw/zinc/36/71/07/691367107.db2.gz MFUDIMVNHVYFBO-SJLPKXTDSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001041679791 691409148 /nfs/dbraw/zinc/40/91/48/691409148.db2.gz NZNZQAFNGBYIPQ-HKUYNNGSSA-N 1 3 319.493 2.219 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001041679791 691409150 /nfs/dbraw/zinc/40/91/50/691409150.db2.gz NZNZQAFNGBYIPQ-HKUYNNGSSA-N 1 3 319.493 2.219 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001041845605 691444280 /nfs/dbraw/zinc/44/42/80/691444280.db2.gz JPVSTXTXCWOPAU-PKOBYXMFSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001041845605 691444282 /nfs/dbraw/zinc/44/42/82/691444282.db2.gz JPVSTXTXCWOPAU-PKOBYXMFSA-N 1 3 321.509 2.441 20 0 DEADHO CN(CCN1CC[NH2+]CC1)C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000883416918 691503286 /nfs/dbraw/zinc/50/32/86/691503286.db2.gz INFVTLDVTSWFLM-RTBURBONSA-N 1 3 317.477 2.134 20 0 DEADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C[C@@H]1CCC2(CCOCC2)CO1 ZINC000883424105 691505256 /nfs/dbraw/zinc/50/52/56/691505256.db2.gz GFHKXAUDDFEXPO-HMQMGEFJSA-N 1 3 308.466 2.306 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000884200647 691680522 /nfs/dbraw/zinc/68/05/22/691680522.db2.gz HGQXWUBMDUCOER-XOKHGSTOSA-N 1 3 301.434 2.066 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000884201358 691681192 /nfs/dbraw/zinc/68/11/92/691681192.db2.gz WFBTVRYVJCTDKY-OIISXLGYSA-N 1 3 315.461 2.184 20 0 DEADHO C[NH2+][C@@H](CC(C)C)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000884288181 691701062 /nfs/dbraw/zinc/70/10/62/691701062.db2.gz YDCORKIKSOUVCE-KRWDZBQOSA-N 1 3 323.456 2.350 20 0 DEADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CN(CC2CCCCCC2)C1 ZINC001044292707 691801370 /nfs/dbraw/zinc/80/13/70/691801370.db2.gz PQDFYXCHLJQJDP-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(CC2CCCCCC2)C1 ZINC001044292707 691801372 /nfs/dbraw/zinc/80/13/72/691801372.db2.gz PQDFYXCHLJQJDP-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CC2CC2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001044742206 691880965 /nfs/dbraw/zinc/88/09/65/691880965.db2.gz GWZNLYIREWSWJX-GOEBONIOSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC2=CCCCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044749696 691881694 /nfs/dbraw/zinc/88/16/94/691881694.db2.gz KQLNKDOLHPCPAA-ZBFHGGJFSA-N 1 3 316.449 2.422 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2)CCN1C(=O)CN1CCCC1 ZINC001044856684 691897721 /nfs/dbraw/zinc/89/77/21/691897721.db2.gz BROYSDQZAHRBOP-SJLPKXTDSA-N 1 3 315.461 2.252 20 0 DEADHO C[C@H]1C[C@H]([NH2+]Cc2ccccc2)CCN1C(=O)CN1CCCC1 ZINC001044856683 691897955 /nfs/dbraw/zinc/89/79/55/691897955.db2.gz BROYSDQZAHRBOP-FUHWJXTLSA-N 1 3 315.461 2.252 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CCF)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC001044869424 691899635 /nfs/dbraw/zinc/89/96/35/691899635.db2.gz ZKEDFEVQOBIQOY-YOEHRIQHSA-N 1 3 321.440 2.300 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]2C[NH2+]CC2=CCCCC2)C1 ZINC001045200381 691951465 /nfs/dbraw/zinc/95/14/65/691951465.db2.gz WKOZNXIQZYGREQ-AEFFLSMTSA-N 1 3 319.493 2.409 20 0 DEADHO CC1(C)CC(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCCC2)C1 ZINC001045311350 691961954 /nfs/dbraw/zinc/96/19/54/691961954.db2.gz IVGOPVLWAGUJLN-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@H+](CCC2CC2)C1 ZINC001046317545 692150254 /nfs/dbraw/zinc/15/02/54/692150254.db2.gz UNNVGLTTYPQGFE-AEFFLSMTSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCC2CC2)C1 ZINC001046317545 692150255 /nfs/dbraw/zinc/15/02/55/692150255.db2.gz UNNVGLTTYPQGFE-AEFFLSMTSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001046316047 692150297 /nfs/dbraw/zinc/15/02/97/692150297.db2.gz MZEBPIJCLSTZIV-FUHWJXTLSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001046316047 692150298 /nfs/dbraw/zinc/15/02/98/692150298.db2.gz MZEBPIJCLSTZIV-FUHWJXTLSA-N 1 3 309.498 2.486 20 0 DEADHO C[NH2+]C[C@H]1CCCCN1C(=O)Nc1cccc(CN(C)C)c1 ZINC000887401936 692355278 /nfs/dbraw/zinc/35/52/78/692355278.db2.gz MABKAKFZHDHLIL-MRXNPFEDSA-N 1 3 304.438 2.354 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2C1 ZINC001049097469 692762964 /nfs/dbraw/zinc/76/29/64/692762964.db2.gz MCQJIAWQXKEMOO-FGTMMUONSA-N 1 3 319.493 2.050 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@@H]2C1 ZINC001049097469 692762967 /nfs/dbraw/zinc/76/29/67/692762967.db2.gz MCQJIAWQXKEMOO-FGTMMUONSA-N 1 3 319.493 2.050 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2C1 ZINC001049232967 692795190 /nfs/dbraw/zinc/79/51/90/692795190.db2.gz GSJFJJAZEUKSSK-KSZLIROESA-N 1 3 319.493 2.051 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC3CCC3)C[C@@H]2C1 ZINC001049232967 692795195 /nfs/dbraw/zinc/79/51/95/692795195.db2.gz GSJFJJAZEUKSSK-KSZLIROESA-N 1 3 319.493 2.051 20 0 DEADHO CC(C)CC[N@H+]1C[C@H]2CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049231854 692795251 /nfs/dbraw/zinc/79/52/51/692795251.db2.gz MXLOZENHHZIUBF-USTZCAOPSA-N 1 3 321.509 2.296 20 0 DEADHO CC(C)CC[N@@H+]1C[C@H]2CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049231854 692795254 /nfs/dbraw/zinc/79/52/54/692795254.db2.gz MXLOZENHHZIUBF-USTZCAOPSA-N 1 3 321.509 2.296 20 0 DEADHO CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CC1)N1CCCC1 ZINC001049640216 692949345 /nfs/dbraw/zinc/94/93/45/692949345.db2.gz TZOGVLQYFYOCRI-IAGOWNOFSA-N 1 3 319.493 2.336 20 0 DEADHO CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CC1)N1CCCC1 ZINC001049640216 692949348 /nfs/dbraw/zinc/94/93/48/692949348.db2.gz TZOGVLQYFYOCRI-IAGOWNOFSA-N 1 3 319.493 2.336 20 0 DEADHO CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCCN1C(C)C ZINC001049766506 692993056 /nfs/dbraw/zinc/99/30/56/692993056.db2.gz LSBGBQSCCMVWRH-ZACQAIPSSA-N 1 3 307.482 2.335 20 0 DEADHO CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCCN1C(C)C ZINC001049766506 692993059 /nfs/dbraw/zinc/99/30/59/692993059.db2.gz LSBGBQSCCMVWRH-ZACQAIPSSA-N 1 3 307.482 2.335 20 0 DEADHO CO[C@@H](C[NH2+][C@H](CCN(C)C)c1cccnc1)C1CCOCC1 ZINC000896716738 693010938 /nfs/dbraw/zinc/01/09/38/693010938.db2.gz LBCHNRPANDXGBX-MSOLQXFVSA-N 1 3 321.465 2.106 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001050046677 693091097 /nfs/dbraw/zinc/09/10/97/693091097.db2.gz LABYEIDDNGWHPI-OKZBNKHCSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001050046677 693091099 /nfs/dbraw/zinc/09/10/99/693091099.db2.gz LABYEIDDNGWHPI-OKZBNKHCSA-N 1 3 321.509 2.438 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CC[NH+](CC1CC(C)C1)CC2)N(C)C ZINC001050564630 693207710 /nfs/dbraw/zinc/20/77/10/693207710.db2.gz SRFSHUALJZVMEA-OFLPRAFFSA-N 1 3 321.509 2.297 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CC(C)C)CC2 ZINC001050764730 693246515 /nfs/dbraw/zinc/24/65/15/693246515.db2.gz FVMGTBHYVKAFEW-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CC2(C1)CC[NH+](CC1CC1)CC2 ZINC001050766452 693247197 /nfs/dbraw/zinc/24/71/97/693247197.db2.gz OTXIOSITZLFRIP-HOTGVXAUSA-N 1 3 319.493 2.194 20 0 DEADHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@H]2CCN(C)[C@H]2C)CC1 ZINC000925319142 693256538 /nfs/dbraw/zinc/25/65/38/693256538.db2.gz IJWQZWAKTBIRHA-RDJZCZTQSA-N 1 3 324.513 2.233 20 0 DEADHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H]2CCN(C)[C@H]2C)CC1 ZINC000925319142 693256539 /nfs/dbraw/zinc/25/65/39/693256539.db2.gz IJWQZWAKTBIRHA-RDJZCZTQSA-N 1 3 324.513 2.233 20 0 DEADHO CC1(C)C[C@@H](NCc2ccc(CS(C)(=O)=O)cc2)C[C@@H]([NH3+])C1 ZINC000925484336 693280484 /nfs/dbraw/zinc/28/04/84/693280484.db2.gz DYOKTBCGKKADIO-CVEARBPZSA-N 1 3 324.490 2.227 20 0 DEADHO C[C@@H](N[C@H]1CC(=O)N(C2CC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000925491391 693281503 /nfs/dbraw/zinc/28/15/03/693281503.db2.gz CJHOJQQFFGXINY-CJNGLKHVSA-N 1 3 301.434 2.162 20 0 DEADHO O=C(NCCC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1)C1CCC1 ZINC000925577493 693301047 /nfs/dbraw/zinc/30/10/47/693301047.db2.gz SGSDCEVJUKKRAI-DLBZAZTESA-N 1 3 307.482 2.051 20 0 DEADHO CC1(C)[C@H]([NH2+]CCCNC(=O)c2cccs2)[C@@H]2CCCN[C@@H]21 ZINC000925595704 693305791 /nfs/dbraw/zinc/30/57/91/693305791.db2.gz ANHPIXJRRAUWHU-VHDGCEQUSA-N 1 3 321.490 2.234 20 0 DEADHO CCOC(=O)N1CCC([C@@H](C)[NH2+][C@H]2CCNC23CCC3)CC1 ZINC000925641732 693314982 /nfs/dbraw/zinc/31/49/82/693314982.db2.gz AKROKDRVQVPUEN-HIFRSBDPSA-N 1 3 309.454 2.118 20 0 DEADHO OC[C@H](Cc1ccccc1)N[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925645141 693316204 /nfs/dbraw/zinc/31/62/04/693316204.db2.gz NTUOATOTGPBEFY-IPMKNSEASA-N 1 3 302.462 2.348 20 0 DEADHO Cn1cncc1[C@@H]1C[C@@H]([NH2+][C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CCO1 ZINC000925652158 693317612 /nfs/dbraw/zinc/31/76/12/693317612.db2.gz CZCCAPHRDGFUFK-KUHBDSFDSA-N 1 3 318.465 2.006 20 0 DEADHO Cn1cncc1[C@@H]1C[C@@H](N[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCO1 ZINC000925652158 693317619 /nfs/dbraw/zinc/31/76/19/693317619.db2.gz CZCCAPHRDGFUFK-KUHBDSFDSA-N 1 3 318.465 2.006 20 0 DEADHO [NH3+][C@H]1C[C@H](NC[C@@H]2CC[C@H](c3nc(C4CC4)no3)O2)C12CCC2 ZINC000925722564 693329950 /nfs/dbraw/zinc/32/99/50/693329950.db2.gz WZAPDPZFYZDHGQ-CRWXNKLISA-N 1 3 318.421 2.027 20 0 DEADHO N[C@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H](c3nc(C4CC4)no3)O2)C12CCC2 ZINC000925722564 693329955 /nfs/dbraw/zinc/32/99/55/693329955.db2.gz WZAPDPZFYZDHGQ-CRWXNKLISA-N 1 3 318.421 2.027 20 0 DEADHO C[C@@H](NCc1ccc(CN2CC[NH2+]CC2)cc1)c1cccnc1 ZINC000925808937 693345404 /nfs/dbraw/zinc/34/54/04/693345404.db2.gz OLJCPPNOLHQSOB-MRXNPFEDSA-N 1 3 310.445 2.338 20 0 DEADHO COc1ccc(Cl)cc1[C@@H](C)NCCN1CCC([NH3+])CC1 ZINC000925812623 693346316 /nfs/dbraw/zinc/34/63/16/693346316.db2.gz XHADXKDKJPAICG-GFCCVEGCSA-N 1 3 311.857 2.422 20 0 DEADHO C[C@@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccnc(Cl)c1 ZINC000925850295 693352556 /nfs/dbraw/zinc/35/25/56/693352556.db2.gz IBYLAQYMNUOXKF-DGCLKSJQSA-N 1 3 323.824 2.071 20 0 DEADHO Cc1c([C@@H](C)NC[C@@H]2CC[C@H]([NH3+])C2)nnn1-c1ccc(F)cc1 ZINC000925876446 693358401 /nfs/dbraw/zinc/35/84/01/693358401.db2.gz YBWRPSARULIRJT-KYOSRNDESA-N 1 3 317.412 2.493 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001052368334 693517248 /nfs/dbraw/zinc/51/72/48/693517248.db2.gz JHHQKFHBCFBBJF-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001052368334 693517252 /nfs/dbraw/zinc/51/72/52/693517252.db2.gz JHHQKFHBCFBBJF-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO FC(F)(F)CN1CCC[C@@H]1CNC1CC[NH+](CC2CC2)CC1 ZINC000926926159 693530064 /nfs/dbraw/zinc/53/00/64/693530064.db2.gz NNZCTARAKYXKBM-OAHLLOKOSA-N 1 3 319.415 2.477 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[N@H+](CC3CCC3)CC2)C1 ZINC001052711966 693601005 /nfs/dbraw/zinc/60/10/05/693601005.db2.gz CCSZVWHLLHWNHC-NVXWUHKLSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[N@@H+](CC3CCC3)CC2)C1 ZINC001052711966 693601011 /nfs/dbraw/zinc/60/10/11/693601011.db2.gz CCSZVWHLLHWNHC-NVXWUHKLSA-N 1 3 307.482 2.099 20 0 DEADHO CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099219 693688498 /nfs/dbraw/zinc/68/84/98/693688498.db2.gz SQUHNBSWCMTXAW-GOEBONIOSA-N 1 3 304.438 2.065 20 0 DEADHO CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099219 693688503 /nfs/dbraw/zinc/68/85/03/693688503.db2.gz SQUHNBSWCMTXAW-GOEBONIOSA-N 1 3 304.438 2.065 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+]CC[C@@H](C)N(C)C)c1C ZINC001335422413 1150412431 /nfs/dbraw/zinc/41/24/31/1150412431.db2.gz QVJBAWUHAWDAHQ-NVXWUHKLSA-N 1 3 308.466 2.281 20 0 DEADHO Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)C3(N(C)C)CCC3)C2)cs1 ZINC001402493761 1162369755 /nfs/dbraw/zinc/36/97/55/1162369755.db2.gz LYCRIOWIHJTAQE-SHTZXODSSA-N 1 3 321.490 2.278 20 0 DEADHO Cc1cc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)cc(C)n1 ZINC001414101694 1151755156 /nfs/dbraw/zinc/75/51/56/1151755156.db2.gz YIINJQDVEXFERU-QZTJIDSGSA-N 1 3 303.450 2.166 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[NH2+]C/C=C\Cl ZINC001480367224 1151766780 /nfs/dbraw/zinc/76/67/80/1151766780.db2.gz HFHFGWXWIZRBNK-IQCBXXCUSA-N 1 3 301.862 2.050 20 0 DEADHO CCc1ccc([C@H](CNC(=O)CCCC[NH2+]C)N(C)C)cc1 ZINC001357327266 1152289365 /nfs/dbraw/zinc/28/93/65/1152289365.db2.gz VDOKVZIXIAZDGL-KRWDZBQOSA-N 1 3 305.466 2.358 20 0 DEADHO C[C@@H]1[C@H](NCCF)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001379555650 1152641931 /nfs/dbraw/zinc/64/19/31/1152641931.db2.gz PNCWXEWEJLUCPO-GDBMZVCRSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H]1[C@H](NCCF)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001379555650 1152641932 /nfs/dbraw/zinc/64/19/32/1152641932.db2.gz PNCWXEWEJLUCPO-GDBMZVCRSA-N 1 3 313.461 2.190 20 0 DEADHO Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)CN2CC[C@H](C)C2)cc1 ZINC001379742728 1152686563 /nfs/dbraw/zinc/68/65/63/1152686563.db2.gz MZCCKEHOGLKROR-IRXDYDNUSA-N 1 3 317.477 2.273 20 0 DEADHO Cc1ccc(C[N@H+](C)C[C@H](C)NC(=O)CN2CC[C@H](C)C2)cc1 ZINC001379742728 1152686564 /nfs/dbraw/zinc/68/65/64/1152686564.db2.gz MZCCKEHOGLKROR-IRXDYDNUSA-N 1 3 317.477 2.273 20 0 DEADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001402850951 1162498199 /nfs/dbraw/zinc/49/81/99/1162498199.db2.gz LTZBCTFSLUJLLX-YOEHRIQHSA-N 1 3 323.456 2.459 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CC1)N(C)C ZINC001380104125 1152750320 /nfs/dbraw/zinc/75/03/20/1152750320.db2.gz QBMLGGOYLICUGC-GDBMZVCRSA-N 1 3 303.450 2.326 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)C1CC[NH+](CC2CC2)CC1)N(C)C ZINC001380147136 1152757008 /nfs/dbraw/zinc/75/70/08/1152757008.db2.gz ZOEORQBALMCKAX-WMLDXEAASA-N 1 3 309.498 2.199 20 0 DEADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccccc2)C1)N(C)C ZINC001380173021 1152761926 /nfs/dbraw/zinc/76/19/26/1152761926.db2.gz VAMSJVCPYDVMNY-JCYILVPMSA-N 1 3 303.450 2.106 20 0 DEADHO CN(CC(=O)N(C)C1CC([NH2+]C/C=C\Cl)C1)CC(C)(C)C ZINC001380172024 1152762057 /nfs/dbraw/zinc/76/20/57/1152762057.db2.gz OCCWFALLMHFZKK-SREVYHEPSA-N 1 3 315.889 2.296 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccccc2)C1 ZINC001380675091 1152842496 /nfs/dbraw/zinc/84/24/96/1152842496.db2.gz IHWMKTCGIKQQRX-SJLPKXTDSA-N 1 3 317.477 2.353 20 0 DEADHO CCC[N@@H+]1CCc2c(CNC(=O)[C@@H](CC)N(C)C)cccc2C1 ZINC001380825322 1152861489 /nfs/dbraw/zinc/86/14/89/1152861489.db2.gz RAXBJLHQWWWYHW-GOSISDBHSA-N 1 3 317.477 2.411 20 0 DEADHO CCC[N@H+]1CCc2c(CNC(=O)[C@@H](CC)N(C)C)cccc2C1 ZINC001380825322 1152861491 /nfs/dbraw/zinc/86/14/91/1152861491.db2.gz RAXBJLHQWWWYHW-GOSISDBHSA-N 1 3 317.477 2.411 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]Cc2cccc(C)c2)CCC1)N(C)C ZINC001380893312 1152874342 /nfs/dbraw/zinc/87/43/42/1152874342.db2.gz HJPYVFKNZKNARX-QGZVFWFLSA-N 1 3 317.477 2.464 20 0 DEADHO CC(C)N1Cc2ccccc2C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001381031158 1152895542 /nfs/dbraw/zinc/89/55/42/1152895542.db2.gz LRQQYULXDHHTQU-SFHVURJKSA-N 1 3 317.477 2.280 20 0 DEADHO CC(C)CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001381297268 1152993574 /nfs/dbraw/zinc/99/35/74/1152993574.db2.gz OHERDKAZORIRBO-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001381297268 1152993581 /nfs/dbraw/zinc/99/35/81/1152993581.db2.gz OHERDKAZORIRBO-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001362635930 1153020732 /nfs/dbraw/zinc/02/07/32/1153020732.db2.gz ZNNIHDTXTYFQTH-BZUAXINKSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](NCc1cncs1)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001381445657 1153064993 /nfs/dbraw/zinc/06/49/93/1153064993.db2.gz GIPCKUQZMMIRHQ-KBPBESRZSA-N 1 3 324.494 2.002 20 0 DEADHO C[C@H]1CCCN1C(=O)CCN1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001363311397 1153328769 /nfs/dbraw/zinc/32/87/69/1153328769.db2.gz KLJUDHFXNTYYNK-YTQUADARSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@H]1CCCN1C(=O)CCN1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001363311397 1153328774 /nfs/dbraw/zinc/32/87/74/1153328774.db2.gz KLJUDHFXNTYYNK-YTQUADARSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1cccc(F)c1 ZINC001382112291 1153361006 /nfs/dbraw/zinc/36/10/06/1153361006.db2.gz AFZHOWNPVIPDFC-HUUCEWRRSA-N 1 3 321.440 2.104 20 0 DEADHO Cc1ccc(F)c(CN[C@@H](C)CN(C)C(=O)CC[NH+](C)C)c1 ZINC001382115876 1153363504 /nfs/dbraw/zinc/36/35/04/1153363504.db2.gz QNSDKDJCRQPCLV-AWEZNQCLSA-N 1 3 309.429 2.022 20 0 DEADHO C[C@H]1CCC[C@]1(O)C[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001363619253 1153494989 /nfs/dbraw/zinc/49/49/89/1153494989.db2.gz NPGNISJJFRFCKC-BFWZDYSYSA-N 1 3 310.482 2.161 20 0 DEADHO CN1C[C@@H]2CC[C@H]([NH2+][C@H]3CCCN(C(=O)OC(C)(C)C)C3)[C@H]2C1 ZINC001363675313 1153548606 /nfs/dbraw/zinc/54/86/06/1153548606.db2.gz DTHSELNFFJGFHG-VGWMRTNUSA-N 1 3 323.481 2.316 20 0 DEADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)C[C@H]1C ZINC001363928564 1153726627 /nfs/dbraw/zinc/72/66/27/1153726627.db2.gz FEWMDYWIKBQPKB-RGGMIXCSSA-N 1 3 308.466 2.284 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccc(Cl)cc1 ZINC001403006471 1162618880 /nfs/dbraw/zinc/61/88/80/1162618880.db2.gz PAEZVTUJOZIBEF-ZIAGYGMSSA-N 1 3 323.868 2.276 20 0 DEADHO Cc1nc(C(C)C)ccc1CN[C@H](C)CNC(=O)CC[NH+](C)C ZINC001403056981 1162676887 /nfs/dbraw/zinc/67/68/87/1162676887.db2.gz YIISAFKNLYTJTQ-CQSZACIVSA-N 1 3 320.481 2.059 20 0 DEADHO Cc1nc(C(C)C)ccc1CN[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001403056968 1162677060 /nfs/dbraw/zinc/67/70/60/1162677060.db2.gz YIISAFKNLYTJTQ-AWEZNQCLSA-N 1 3 320.481 2.059 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1csc(C)c1)C1CC1)N(C)C ZINC001389701911 1155398678 /nfs/dbraw/zinc/39/86/78/1155398678.db2.gz WRDXEUHKCBNTAP-CVEARBPZSA-N 1 3 323.506 2.381 20 0 DEADHO C[C@@H](N[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1)c1ccccc1F ZINC001390466148 1155738002 /nfs/dbraw/zinc/73/80/02/1155738002.db2.gz UBMHSWPLDNBEHN-UONOGXRCSA-N 1 3 321.440 2.323 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001390508234 1155773733 /nfs/dbraw/zinc/77/37/33/1155773733.db2.gz KWJXPZAEONFVLN-BBRMVZONSA-N 1 3 309.429 2.006 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001390708457 1155845424 /nfs/dbraw/zinc/84/54/24/1155845424.db2.gz SZPDAQLPWHPSAK-WBVHZDCISA-N 1 3 317.477 2.321 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](C)C[C@H]1CCCC(F)(F)C1)N(C)C ZINC001390848768 1155890221 /nfs/dbraw/zinc/89/02/21/1155890221.db2.gz XLLPAHSPJUNHLY-UONOGXRCSA-N 1 3 319.440 2.200 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](C)C[C@H]1CCCC(F)(F)C1)N(C)C ZINC001390848768 1155890222 /nfs/dbraw/zinc/89/02/22/1155890222.db2.gz XLLPAHSPJUNHLY-UONOGXRCSA-N 1 3 319.440 2.200 20 0 DEADHO CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)Cc1ccc(C)cc1 ZINC001390955746 1156007857 /nfs/dbraw/zinc/00/78/57/1156007857.db2.gz KLMSIVLNQVFOEJ-QGZVFWFLSA-N 1 3 317.477 2.275 20 0 DEADHO CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)Cc1ccc(C)cc1 ZINC001390955746 1156007863 /nfs/dbraw/zinc/00/78/63/1156007863.db2.gz KLMSIVLNQVFOEJ-QGZVFWFLSA-N 1 3 317.477 2.275 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN(Cc2cccc(F)c2)C1 ZINC001391114304 1156127449 /nfs/dbraw/zinc/12/74/49/1156127449.db2.gz RGMIFQPFDMBZAA-INIZCTEOSA-N 1 3 321.440 2.106 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN(Cc2cccc(F)c2)C1 ZINC001391114304 1156127456 /nfs/dbraw/zinc/12/74/56/1156127456.db2.gz RGMIFQPFDMBZAA-INIZCTEOSA-N 1 3 321.440 2.106 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](C)[C@@H](C)c1cccc(C)c1)N(C)C ZINC001372193692 1156304658 /nfs/dbraw/zinc/30/46/58/1156304658.db2.gz YRTGZKNEMFKRQH-RDJZCZTQSA-N 1 3 305.466 2.444 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](C)[C@@H](C)c1cccc(C)c1)N(C)C ZINC001372193692 1156304664 /nfs/dbraw/zinc/30/46/64/1156304664.db2.gz YRTGZKNEMFKRQH-RDJZCZTQSA-N 1 3 305.466 2.444 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2)C1 ZINC001391360532 1156357740 /nfs/dbraw/zinc/35/77/40/1156357740.db2.gz RSPCSRGTFPQMHM-SFHVURJKSA-N 1 3 317.477 2.307 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC001391360532 1156357746 /nfs/dbraw/zinc/35/77/46/1156357746.db2.gz RSPCSRGTFPQMHM-SFHVURJKSA-N 1 3 317.477 2.307 20 0 DEADHO Cc1cccc(CN2CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C2)c1 ZINC001391627939 1156616989 /nfs/dbraw/zinc/61/69/89/1156616989.db2.gz DFUBRYVBDCANAM-GOSISDBHSA-N 1 3 317.477 2.370 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1)N(C)C ZINC001372665936 1156657021 /nfs/dbraw/zinc/65/70/21/1156657021.db2.gz YCNYIALYOVWADK-HOCLYGCPSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@H](CNC(=O)CC[NH+](C)C)N(C)Cc1ccc(CF)cc1 ZINC001403161743 1162801302 /nfs/dbraw/zinc/80/13/02/1162801302.db2.gz DBHVKSBWLHNZKY-CQSZACIVSA-N 1 3 309.429 2.044 20 0 DEADHO CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1cccc(F)c1 ZINC001391690590 1156698437 /nfs/dbraw/zinc/69/84/37/1156698437.db2.gz BEICMMMPFJZVKE-SJORKVTESA-N 1 3 323.456 2.396 20 0 DEADHO CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NCc1ccccc1F ZINC001391714929 1156725027 /nfs/dbraw/zinc/72/50/27/1156725027.db2.gz CBJCNVJKJSGNNQ-OAHLLOKOSA-N 1 3 321.440 2.152 20 0 DEADHO CC[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]C/C=C/Cl ZINC001391721042 1156735088 /nfs/dbraw/zinc/73/50/88/1156735088.db2.gz TWTMRNMLKNUNDX-GWJCSSMESA-N 1 3 301.862 2.098 20 0 DEADHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccccc1 ZINC001391721020 1156738110 /nfs/dbraw/zinc/73/81/10/1156738110.db2.gz OEKUDMWIOOMKDF-RDJZCZTQSA-N 1 3 303.450 2.013 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CC1CCCCC1 ZINC001391927093 1156835128 /nfs/dbraw/zinc/83/51/28/1156835128.db2.gz VDKLHFRDMDKISD-HNNXBMFYSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC1([NH2+]CCF)CCCC1 ZINC001392017256 1156850303 /nfs/dbraw/zinc/85/03/03/1156850303.db2.gz HBFJIYIPZCHEPJ-HNNXBMFYSA-N 1 3 313.461 2.237 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001392075716 1156862274 /nfs/dbraw/zinc/86/22/74/1156862274.db2.gz MIIRTOONHJOZQM-OCCSQVGLSA-N 1 3 319.440 2.054 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001392097737 1156867455 /nfs/dbraw/zinc/86/74/55/1156867455.db2.gz CZTCOEXMGXPRFS-YOEHRIQHSA-N 1 3 323.456 2.411 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]C/C=C\Cl ZINC001392161443 1156879425 /nfs/dbraw/zinc/87/94/25/1156879425.db2.gz FYCJDKOJYVXOQH-RACWNLLASA-N 1 3 313.873 2.050 20 0 DEADHO CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001403224719 1162822832 /nfs/dbraw/zinc/82/28/32/1162822832.db2.gz CFNGLBGVHXIXET-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@H+](C)C/C=C/c1ccccc1 ZINC001403231598 1162824068 /nfs/dbraw/zinc/82/40/68/1162824068.db2.gz SNOYCKNOEQGBNE-XLNAKTSKSA-N 1 3 317.477 2.477 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@@H+](C)C/C=C/c1ccccc1 ZINC001403231598 1162824069 /nfs/dbraw/zinc/82/40/69/1162824069.db2.gz SNOYCKNOEQGBNE-XLNAKTSKSA-N 1 3 317.477 2.477 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001403243825 1162826199 /nfs/dbraw/zinc/82/61/99/1162826199.db2.gz JOVGNSAFCFWVTA-LSDHHAIUSA-N 1 3 315.477 2.151 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCc2ccc(F)cc21)N(C)C ZINC001392487472 1157070866 /nfs/dbraw/zinc/07/08/66/1157070866.db2.gz MMWDJUSRXKKYPB-CSMYWGQOSA-N 1 3 321.440 2.248 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1CCCCC[N@@H+]1CC ZINC001403283639 1162837700 /nfs/dbraw/zinc/83/77/00/1162837700.db2.gz JLZPTCNBZFFBSN-GJZGRUSLSA-N 1 3 301.450 2.047 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1CCCCC[N@H+]1CC ZINC001403283639 1162837702 /nfs/dbraw/zinc/83/77/02/1162837702.db2.gz JLZPTCNBZFFBSN-GJZGRUSLSA-N 1 3 301.450 2.047 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001392571555 1157149985 /nfs/dbraw/zinc/14/99/85/1157149985.db2.gz AKCLANNJZHMTLY-XJKSGUPXSA-N 1 3 309.429 2.069 20 0 DEADHO CC(C)C[NH+]1CC([C@@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001403304171 1162845002 /nfs/dbraw/zinc/84/50/02/1162845002.db2.gz QQHCSHNKMDTCTJ-OAHLLOKOSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CCC[NH+]1CC([C@H](C)NC(=O)CN2CC[C@H](C)C2)C1 ZINC001403330163 1162852926 /nfs/dbraw/zinc/85/29/26/1162852926.db2.gz PYGGCDQFZFDLMM-HOTGVXAUSA-N 1 3 309.498 2.201 20 0 DEADHO CCCN(C)CC(=O)NC1(C[NH2+]Cc2cncs2)CCCC1 ZINC001373862743 1157416214 /nfs/dbraw/zinc/41/62/14/1157416214.db2.gz UVOXMBCTJQSEGH-UHFFFAOYSA-N 1 3 324.494 2.004 20 0 DEADHO CC(C)[C@H](C(=O)NCC1(NCc2ccc(F)cc2)CC1)[NH+](C)C ZINC001392928367 1157545936 /nfs/dbraw/zinc/54/59/36/1157545936.db2.gz MWRGPJCHEQRHRI-MRXNPFEDSA-N 1 3 321.440 2.150 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cc(C)cc(C)c1)N(C)C ZINC001374102130 1157625725 /nfs/dbraw/zinc/62/57/25/1157625725.db2.gz YIFLPGFQDQIXCA-FUHWJXTLSA-N 1 3 319.493 2.486 20 0 DEADHO C[C@@]1(NC(=O)C[NH+]2CCCC2)CCN(Cc2cccc(F)c2)C1 ZINC001393126266 1157707662 /nfs/dbraw/zinc/70/76/62/1157707662.db2.gz XZWAQLHZYMZVTG-GOSISDBHSA-N 1 3 319.424 2.002 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC001393403682 1157822019 /nfs/dbraw/zinc/82/20/19/1157822019.db2.gz ZLSBGSYWBFSIFV-AEFFLSMTSA-N 1 3 317.477 2.211 20 0 DEADHO CC(C)[C@H](CNC(=O)[C@@H]1CCCN1C(C)C)[NH2+]C/C=C/Cl ZINC001374418477 1157848760 /nfs/dbraw/zinc/84/87/60/1157848760.db2.gz GKLRRCPTMBVSRF-ODYMAQSMSA-N 1 3 315.889 2.342 20 0 DEADHO C[NH+](C)CCc1ccc(C(=O)NCC2(NCCF)CCC2)cc1 ZINC001393554522 1157862326 /nfs/dbraw/zinc/86/23/26/1157862326.db2.gz FSCSDWUMMCWACP-UHFFFAOYSA-N 1 3 321.440 2.002 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[N@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001374558133 1157899232 /nfs/dbraw/zinc/89/92/32/1157899232.db2.gz ULMRFGKGIUTIGI-IXDOHACOSA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[N@@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001374558133 1157899233 /nfs/dbraw/zinc/89/92/33/1157899233.db2.gz ULMRFGKGIUTIGI-IXDOHACOSA-N 1 3 309.498 2.153 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1F ZINC001393995421 1158147033 /nfs/dbraw/zinc/14/70/33/1158147033.db2.gz LGGYJBXIYLMTSZ-KGLIPLIRSA-N 1 3 309.429 2.150 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cccc(C)c1 ZINC001393999770 1158149835 /nfs/dbraw/zinc/14/98/35/1158149835.db2.gz OVEODGLEAKWZNH-HOTGVXAUSA-N 1 3 305.466 2.320 20 0 DEADHO CC1CC(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)C2(N(C)C)CCC2)C1 ZINC001403517573 1162925356 /nfs/dbraw/zinc/92/53/56/1162925356.db2.gz SIPGXJSSQAXIQU-DQPZFDDXSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N(C)[C@@H](C[NH2+]Cc1ccccc1)C1CC1 ZINC001394440837 1158530118 /nfs/dbraw/zinc/53/01/18/1158530118.db2.gz LXAVJZHYDVKWLC-SFHVURJKSA-N 1 3 317.477 2.353 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCCC2)CC1 ZINC001375424634 1158591919 /nfs/dbraw/zinc/59/19/19/1158591919.db2.gz HZTOSXFIXIWLCV-INIZCTEOSA-N 1 3 307.482 2.289 20 0 DEADHO C[C@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]CCC1CCCC1 ZINC001394527553 1158612284 /nfs/dbraw/zinc/61/22/84/1158612284.db2.gz KANGGFFDBRSGSC-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]CC1CC2(CCC2)C1 ZINC001394528246 1158613843 /nfs/dbraw/zinc/61/38/43/1158613843.db2.gz LPJZISLGHGHBKP-JKSUJKDBSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1C[C@@H](NCCF)CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001394690986 1158682822 /nfs/dbraw/zinc/68/28/22/1158682822.db2.gz OFWUOGCOODVQCN-HUUCEWRRSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H]1C[C@@H](NCCF)CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001394690986 1158682824 /nfs/dbraw/zinc/68/28/24/1158682824.db2.gz OFWUOGCOODVQCN-HUUCEWRRSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H]1C[C@@H](C(=O)NCC2(NCc3ccsc3)CC2)CC[N@@H+]1C ZINC001375475373 1158737311 /nfs/dbraw/zinc/73/73/11/1158737311.db2.gz JKZVRFNBSOZYRX-ZFWWWQNUSA-N 1 3 321.490 2.217 20 0 DEADHO C[C@H]1C[C@@H](C(=O)NCC2(NCc3ccsc3)CC2)CC[N@H+]1C ZINC001375475373 1158737316 /nfs/dbraw/zinc/73/73/16/1158737316.db2.gz JKZVRFNBSOZYRX-ZFWWWQNUSA-N 1 3 321.490 2.217 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2cccc(C)c2)CC1 ZINC001375529050 1158803752 /nfs/dbraw/zinc/80/37/52/1158803752.db2.gz GHVXHIGNZGCCBG-UHFFFAOYSA-N 1 3 303.450 2.075 20 0 DEADHO C[C@H](CN(C)C(=O)C(C)(C)N1CCCCC1)[NH2+]CC[C@H](C)F ZINC001403547432 1162989826 /nfs/dbraw/zinc/98/98/26/1162989826.db2.gz DEIDHOAPLJYRFS-LSDHHAIUSA-N 1 3 315.477 2.436 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]([NH2+]Cc1cccc(C)c1)C1CC1)N(C)C ZINC001376262396 1159300506 /nfs/dbraw/zinc/30/05/06/1159300506.db2.gz OVCUSSHVHDMDPA-QZTJIDSGSA-N 1 3 317.477 2.320 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CC=C(Cl)Cl)C2)CCC1 ZINC001376463431 1159449040 /nfs/dbraw/zinc/44/90/40/1159449040.db2.gz LVKMKBKJYFNBEO-PHIMTYICSA-N 1 3 320.264 2.027 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2C)C1)N(C)C ZINC001376488728 1159473750 /nfs/dbraw/zinc/47/37/50/1159473750.db2.gz LWXOVAIXWGXNDC-BBWFWOEESA-N 1 3 321.440 2.211 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001376843711 1159820189 /nfs/dbraw/zinc/82/01/89/1159820189.db2.gz CCXIMJJNAHAMDI-OAHLLOKOSA-N 1 3 317.477 2.111 20 0 DEADHO CN(C)C1(C(=O)NCC[N@H+](C)CCCc2ccccc2)CCC1 ZINC001377171365 1160007738 /nfs/dbraw/zinc/00/77/38/1160007738.db2.gz RFOOEBWMKCUFAF-UHFFFAOYSA-N 1 3 317.477 2.152 20 0 DEADHO CN(C)C1(C(=O)NCC[N@@H+](C)CCCc2ccccc2)CCC1 ZINC001377171365 1160007748 /nfs/dbraw/zinc/00/77/48/1160007748.db2.gz RFOOEBWMKCUFAF-UHFFFAOYSA-N 1 3 317.477 2.152 20 0 DEADHO CN(CCNC(=O)CCC[NH+]1CCCC1)Cc1ccccc1 ZINC001377272447 1160097670 /nfs/dbraw/zinc/09/76/70/1160097670.db2.gz KWIPAJFLZOMGLS-UHFFFAOYSA-N 1 3 303.450 2.111 20 0 DEADHO C[NH+](C)CCC(=O)N[C@@H]1CCN(C/C=C\Cl)CC(C)(C)C1 ZINC001397275134 1160101053 /nfs/dbraw/zinc/10/10/53/1160101053.db2.gz VFKOEOVXCWVFOV-BMWLXYDHSA-N 1 3 315.889 2.297 20 0 DEADHO Cc1cccc(C[NH2+][C@@H](C)CCNC(=O)C2(N(C)C)CCC2)c1 ZINC001377452630 1160381295 /nfs/dbraw/zinc/38/12/95/1160381295.db2.gz PWPUGKWFSWHLJR-INIZCTEOSA-N 1 3 317.477 2.464 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2F)C1 ZINC001397673216 1160392432 /nfs/dbraw/zinc/39/24/32/1160392432.db2.gz JEANJIYTWCAJBG-KOMQPUFPSA-N 1 3 321.440 2.150 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](CC[C@@H](C)F)C1CC1 ZINC001377565222 1160549788 /nfs/dbraw/zinc/54/97/88/1160549788.db2.gz AILZKFJDRITZIG-ZBFHGGJFSA-N 1 3 313.461 2.190 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](CC[C@@H](C)F)C1CC1 ZINC001377565222 1160549799 /nfs/dbraw/zinc/54/97/99/1160549799.db2.gz AILZKFJDRITZIG-ZBFHGGJFSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]C/C=C/Cl ZINC001398195101 1160814047 /nfs/dbraw/zinc/81/40/47/1160814047.db2.gz BXYZBMMYKMMYQO-LADOHOGBSA-N 1 3 315.889 2.438 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(CCCc2ccsc2)C1 ZINC001398323924 1160856586 /nfs/dbraw/zinc/85/65/86/1160856586.db2.gz IKMNSOUJRKSCNS-INIZCTEOSA-N 1 3 323.506 2.213 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCCc2ccsc2)C1 ZINC001398323924 1160856587 /nfs/dbraw/zinc/85/65/87/1160856587.db2.gz IKMNSOUJRKSCNS-INIZCTEOSA-N 1 3 323.506 2.213 20 0 DEADHO CC(C)N(C)CC(=O)NC1CCC([NH2+]CC[C@H](C)F)CC1 ZINC001398836846 1161117546 /nfs/dbraw/zinc/11/75/46/1161117546.db2.gz BDTYNVICDFGNHM-NFOMZHRRSA-N 1 3 301.450 2.092 20 0 DEADHO Cc1cccc([C@H](C)[N@@H+](C)CCNC(=O)CN(C)C(C)C)c1 ZINC001492877958 1161156333 /nfs/dbraw/zinc/15/63/33/1161156333.db2.gz FCMRIMCZUFDUKO-INIZCTEOSA-N 1 3 305.466 2.444 20 0 DEADHO Cc1cccc([C@H](C)[N@H+](C)CCNC(=O)CN(C)C(C)C)c1 ZINC001492877958 1161156335 /nfs/dbraw/zinc/15/63/35/1161156335.db2.gz FCMRIMCZUFDUKO-INIZCTEOSA-N 1 3 305.466 2.444 20 0 DEADHO Cc1cccc(C[NH2+][C@@H](C)CCNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001399385448 1161373413 /nfs/dbraw/zinc/37/34/13/1161373413.db2.gz FHHDBUQDZKGIRF-SJORKVTESA-N 1 3 317.477 2.321 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)CCc2ccccc2)CC[N@@H+]1C ZINC001399480713 1161418366 /nfs/dbraw/zinc/41/83/66/1161418366.db2.gz IGWPDAGXPORFQM-ZWKOTPCHSA-N 1 3 317.477 2.007 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)CCc2ccccc2)CC[N@H+]1C ZINC001399480713 1161418370 /nfs/dbraw/zinc/41/83/70/1161418370.db2.gz IGWPDAGXPORFQM-ZWKOTPCHSA-N 1 3 317.477 2.007 20 0 DEADHO CN(CCNC(=O)CC[NH+](C)C)[C@@H]1CCc2ccc(Cl)cc21 ZINC001399572034 1161460822 /nfs/dbraw/zinc/46/08/22/1161460822.db2.gz RDBQPVHVPKCFOH-MRXNPFEDSA-N 1 3 323.868 2.327 20 0 DEADHO CN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)Cc1ccc(CF)cc1 ZINC001399637880 1161493206 /nfs/dbraw/zinc/49/32/06/1161493206.db2.gz GTMLAFVKVUXCKP-KRWDZBQOSA-N 1 3 321.440 2.046 20 0 DEADHO CN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)Cc1ccc(CF)cc1 ZINC001399637880 1161493211 /nfs/dbraw/zinc/49/32/11/1161493211.db2.gz GTMLAFVKVUXCKP-KRWDZBQOSA-N 1 3 321.440 2.046 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CCC[N@@H+]1CC1CCC1)N1CCCC1 ZINC001399885437 1161597937 /nfs/dbraw/zinc/59/79/37/1161597937.db2.gz YELRVOOKBRMWJO-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CCC[N@H+]1CC1CCC1)N1CCCC1 ZINC001399885437 1161597942 /nfs/dbraw/zinc/59/79/42/1161597942.db2.gz YELRVOOKBRMWJO-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CN(CC(=O)NC[C@@H]1CC[N@H+](CCCC2CCC2)C1)C1CCC1 ZINC001399911929 1161605485 /nfs/dbraw/zinc/60/54/85/1161605485.db2.gz LNYXTEWTQSTFEA-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CN(CC(=O)NC[C@@H]1CC[N@@H+](CCCC2CCC2)C1)C1CCC1 ZINC001399911929 1161605487 /nfs/dbraw/zinc/60/54/87/1161605487.db2.gz LNYXTEWTQSTFEA-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CN(C)C1(C(=O)NCC[N@H+](CCC(C)(C)C)C2CC2)CCC1 ZINC001400008208 1161631867 /nfs/dbraw/zinc/63/18/67/1161631867.db2.gz PLROWIGPLLWYKR-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)C1(C(=O)NCC[N@@H+](CCC(C)(C)C)C2CC2)CCC1 ZINC001400008208 1161631869 /nfs/dbraw/zinc/63/18/69/1161631869.db2.gz PLROWIGPLLWYKR-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[NH2+][C@H](CNC(=O)CN1CC[C@H](C)C1)c1ccccc1 ZINC001400093802 1161651522 /nfs/dbraw/zinc/65/15/22/1161651522.db2.gz CESXKMOWBMPZMP-DOTOQJQBSA-N 1 3 303.450 2.185 20 0 DEADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccsc1 ZINC001400812355 1161826268 /nfs/dbraw/zinc/82/62/68/1161826268.db2.gz KECLQXUEOZPSAB-CQSZACIVSA-N 1 3 309.479 2.217 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2CC[C@H]([NH2+]C/C=C\Cl)CC2)CCC1 ZINC001401046496 1161864074 /nfs/dbraw/zinc/86/40/74/1161864074.db2.gz NCYRUXPGFWNINS-NMSWQPQWSA-N 1 3 313.873 2.240 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H](F)CC)CC1 ZINC001401049645 1161864229 /nfs/dbraw/zinc/86/42/29/1161864229.db2.gz KFZZZXXZYHMDFO-KKUMJFAQSA-N 1 3 301.450 2.093 20 0 DEADHO CC(C)C[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)C(C)C)CC2 ZINC001401091361 1161870369 /nfs/dbraw/zinc/87/03/69/1161870369.db2.gz VSNZBDBIBFCWKO-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[N@H+]1CCC2(C1)CCN(C(=O)CN(C)C(C)C)CC2 ZINC001401091361 1161870370 /nfs/dbraw/zinc/87/03/70/1161870370.db2.gz VSNZBDBIBFCWKO-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+][C@@H](C)c1ccccc1 ZINC001401146234 1161882389 /nfs/dbraw/zinc/88/23/89/1161882389.db2.gz FUCHXVYMRCNCCJ-KBPBESRZSA-N 1 3 314.433 2.364 20 0 DEADHO C[NH+](C)CCCC(=O)N1CC[C@@H]2[C@@H](CCN2C/C=C/Cl)C1 ZINC001401492956 1162020351 /nfs/dbraw/zinc/02/03/51/1162020351.db2.gz NJFXJKOCZJXXFJ-VSWCJUERSA-N 1 3 313.873 2.004 20 0 DEADHO Cc1ccc(F)c(CNC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001401636224 1162053723 /nfs/dbraw/zinc/05/37/23/1162053723.db2.gz AQXGZUSUDBYOHO-CQSZACIVSA-N 1 3 321.440 2.070 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001401679114 1162073522 /nfs/dbraw/zinc/07/35/22/1162073522.db2.gz DSALNTTYRKLOPN-CZUORRHYSA-N 1 3 309.429 2.006 20 0 DEADHO Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)CN(C)C2CCC2)cc1 ZINC001401776581 1162124665 /nfs/dbraw/zinc/12/46/65/1162124665.db2.gz WLDCGSLCACOISS-INIZCTEOSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1ccc(C[N@H+](C)C[C@H](C)NC(=O)CN(C)C2CCC2)cc1 ZINC001401776581 1162124668 /nfs/dbraw/zinc/12/46/68/1162124668.db2.gz WLDCGSLCACOISS-INIZCTEOSA-N 1 3 317.477 2.416 20 0 DEADHO CC(C)[NH2+]C[C@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C1CC1 ZINC001401872296 1162161882 /nfs/dbraw/zinc/16/18/82/1162161882.db2.gz NXESSBYVCHPZBN-IRXDYDNUSA-N 1 3 309.498 2.390 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001401989784 1162209186 /nfs/dbraw/zinc/20/91/86/1162209186.db2.gz YSJDEVMNHNWNQR-CQSZACIVSA-N 1 3 321.440 2.465 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@]1(C)CCC[N@H+](CC2CC2)C1 ZINC001402201882 1162285416 /nfs/dbraw/zinc/28/54/16/1162285416.db2.gz FSRCVEYNQBGUHG-IEBWSBKVSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](CC2CC2)C1 ZINC001402201882 1162285420 /nfs/dbraw/zinc/28/54/20/1162285420.db2.gz FSRCVEYNQBGUHG-IEBWSBKVSA-N 1 3 321.509 2.489 20 0 DEADHO CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001402206272 1162287127 /nfs/dbraw/zinc/28/71/27/1162287127.db2.gz FXRNFOHUYHHMGO-WMZOPIPTSA-N 1 3 309.498 2.489 20 0 DEADHO CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001402206272 1162287131 /nfs/dbraw/zinc/28/71/31/1162287131.db2.gz FXRNFOHUYHHMGO-WMZOPIPTSA-N 1 3 309.498 2.489 20 0 DEADHO CCCN(C)CC(=O)NCC[N@H+](CC)[C@H]1CCc2ccccc21 ZINC001403943255 1163318812 /nfs/dbraw/zinc/31/88/12/1163318812.db2.gz KTKARSSKHGACTN-SFHVURJKSA-N 1 3 317.477 2.454 20 0 DEADHO CCCN(C)CC(=O)NCC[N@@H+](CC)[C@H]1CCc2ccccc21 ZINC001403943255 1163318821 /nfs/dbraw/zinc/31/88/21/1163318821.db2.gz KTKARSSKHGACTN-SFHVURJKSA-N 1 3 317.477 2.454 20 0 DEADHO CC[C@@H](C(=O)NCc1ccc(C[NH2+]CC2CC2)cc1F)N(C)C ZINC001404031621 1163388545 /nfs/dbraw/zinc/38/85/45/1163388545.db2.gz OZXGUEGKZZDXFI-KRWDZBQOSA-N 1 3 321.440 2.282 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@@H]1CCc2ccc(F)cc21)N(C)C ZINC001404309261 1163574010 /nfs/dbraw/zinc/57/40/10/1163574010.db2.gz CZFJCGNPAMIMFA-SJORKVTESA-N 1 3 321.440 2.201 20 0 DEADHO Cc1cc(C[NH2+]C[C@H](C)CNC(=O)C2(N(C)C)CCC2)cs1 ZINC001405671602 1164180005 /nfs/dbraw/zinc/18/00/05/1164180005.db2.gz MJNYAYSNSXHNIY-ZDUSSCGKSA-N 1 3 323.506 2.383 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CC2CCCC2)CCCC1 ZINC001405784876 1164237129 /nfs/dbraw/zinc/23/71/29/1164237129.db2.gz LHMVBUUZVGIGCP-UHFFFAOYSA-N 1 3 318.465 2.469 20 0 DEADHO C[C@@H](C[NH2+]Cc1ccsc1)N(C)C(=O)CN(C)C1CCC1 ZINC001405838599 1164281827 /nfs/dbraw/zinc/28/18/27/1164281827.db2.gz UPQFMQOQRIFMLZ-ZDUSSCGKSA-N 1 3 309.479 2.169 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001405841104 1164283353 /nfs/dbraw/zinc/28/33/53/1164283353.db2.gz ZJDAKMXJDFEZEO-INIZCTEOSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C2CCC2)cc1 ZINC001405841114 1164283654 /nfs/dbraw/zinc/28/36/54/1164283654.db2.gz ZKMPOKKZMYZZNG-MRXNPFEDSA-N 1 3 317.477 2.416 20 0 DEADHO CC(C)[C@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccc(F)cc1 ZINC001406080106 1164429251 /nfs/dbraw/zinc/42/92/51/1164429251.db2.gz OWEJBZGIDGOWOH-KRWDZBQOSA-N 1 3 323.456 2.396 20 0 DEADHO Cc1ccccc1CN(C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001406135805 1164468808 /nfs/dbraw/zinc/46/88/08/1164468808.db2.gz OAFOQBVCBXBQOM-GOSISDBHSA-N 1 3 319.493 2.471 20 0 DEADHO C[C@@H](CN(C)[C@H]1CCc2c1cccc2F)NC(=O)CC[NH+](C)C ZINC001406653883 1164767021 /nfs/dbraw/zinc/76/70/21/1164767021.db2.gz MBJQFYQRDYMLCT-GUYCJALGSA-N 1 3 321.440 2.201 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001406775251 1164825015 /nfs/dbraw/zinc/82/50/15/1164825015.db2.gz QUYGTAVBEPAXQD-GJZGRUSLSA-N 1 3 313.461 2.093 20 0 DEADHO CN(CCC[N@H+](C)CCc1cccs1)C(=O)[C@@H]1CCCN1C ZINC001407880427 1165363792 /nfs/dbraw/zinc/36/37/92/1165363792.db2.gz SWQHZKRVSIMZDN-INIZCTEOSA-N 1 3 323.506 2.165 20 0 DEADHO CN(C[C@H]1CCN1[C@H]1CCc2ccccc21)C(=O)CC[NH+](C)C ZINC001417757008 1167191275 /nfs/dbraw/zinc/19/12/75/1167191275.db2.gz SAULWSVMMGDQRV-AEFFLSMTSA-N 1 3 315.461 2.158 20 0 DEADHO Cc1ccc(CN2CCC[C@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001417913634 1167302677 /nfs/dbraw/zinc/30/26/77/1167302677.db2.gz VDJZPDNKQNXXEE-KRWDZBQOSA-N 1 3 303.450 2.027 20 0 DEADHO CC(C)C[NH2+][C@H](CNC(=O)[C@H](C)N1CCCCCC1)C1CC1 ZINC001417996784 1167352522 /nfs/dbraw/zinc/35/25/22/1167352522.db2.gz DRYCANULQHYKBQ-DOTOQJQBSA-N 1 3 309.498 2.391 20 0 DEADHO CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](F)CN(CC)CC ZINC001418151464 1167441539 /nfs/dbraw/zinc/44/15/39/1167441539.db2.gz UZDGGSQDNBGOSO-GJZGRUSLSA-N 1 3 301.450 2.047 20 0 DEADHO CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](F)CN(CC)CC ZINC001418151464 1167441541 /nfs/dbraw/zinc/44/15/41/1167441541.db2.gz UZDGGSQDNBGOSO-GJZGRUSLSA-N 1 3 301.450 2.047 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CNC(=O)CN(C)C2CCC2)cc1 ZINC001418237024 1167510303 /nfs/dbraw/zinc/51/03/03/1167510303.db2.gz RGWODXONJWHWMR-OAHLLOKOSA-N 1 3 303.450 2.074 20 0 DEADHO C[C@@H](c1ccc(F)cc1)N(C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001418493095 1167710444 /nfs/dbraw/zinc/71/04/44/1167710444.db2.gz FZWWHOHGFFYYLA-GJZGRUSLSA-N 1 3 321.440 2.277 20 0 DEADHO C[C@@H](c1ccc(F)cc1)N(C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001418493095 1167710456 /nfs/dbraw/zinc/71/04/56/1167710456.db2.gz FZWWHOHGFFYYLA-GJZGRUSLSA-N 1 3 321.440 2.277 20 0 DEADHO C[C@H](C(=O)NCC1C[NH+](CC2CC(C)C2)C1)N1CCCCCC1 ZINC001419031495 1168146432 /nfs/dbraw/zinc/14/64/32/1168146432.db2.gz NGQVRFWSHZNSNW-AQFXKWCLSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]C(C)C ZINC001419255913 1168351561 /nfs/dbraw/zinc/35/15/61/1168351561.db2.gz YJPBRKCRAIIEJH-CZUORRHYSA-N 1 3 301.450 2.092 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccsc1)C1CC1)N(C)C ZINC001419269494 1168362939 /nfs/dbraw/zinc/36/29/39/1168362939.db2.gz GHOCLEWYFHVAIR-HUUCEWRRSA-N 1 3 309.479 2.073 20 0 DEADHO CCN(CC[NH2+][C@H](C)c1ccc(F)cc1)C(=O)[C@@H]1CCCN1C ZINC001420242750 1169273969 /nfs/dbraw/zinc/27/39/69/1169273969.db2.gz SIJOLPOWVUVYEV-PBHICJAKSA-N 1 3 321.440 2.419 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CC[N@@H+](C[C@@H](C)CC(C)C)C1 ZINC001420558141 1169793976 /nfs/dbraw/zinc/79/39/76/1169793976.db2.gz SOOYUIMVASKGPC-HOCLYGCPSA-N 1 3 320.481 2.381 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001420558141 1169793987 /nfs/dbraw/zinc/79/39/87/1169793987.db2.gz SOOYUIMVASKGPC-HOCLYGCPSA-N 1 3 320.481 2.381 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CC[N@@H+](C[C@H](C)CC(C)C)C1 ZINC001420558143 1169796111 /nfs/dbraw/zinc/79/61/11/1169796111.db2.gz SOOYUIMVASKGPC-ZBFHGGJFSA-N 1 3 320.481 2.381 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001420558143 1169796118 /nfs/dbraw/zinc/79/61/18/1169796118.db2.gz SOOYUIMVASKGPC-ZBFHGGJFSA-N 1 3 320.481 2.381 20 0 DEADHO C[C@@H](C[N@H+](C)CC1CC(C)C1)NC(=O)C(C)(C)N1CCCC1 ZINC001420615101 1169829171 /nfs/dbraw/zinc/82/91/71/1169829171.db2.gz RVGKTQJYIGCOSK-PCKAHOCUSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](C[N@@H+](C)CC1CC(C)C1)NC(=O)C(C)(C)N1CCCC1 ZINC001420615101 1169829177 /nfs/dbraw/zinc/82/91/77/1169829177.db2.gz RVGKTQJYIGCOSK-PCKAHOCUSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)c1cccc(OC)c1)N(C)C ZINC001420727460 1171089613 /nfs/dbraw/zinc/08/96/13/1171089613.db2.gz NBJNAUKNJNLNHG-YOEHRIQHSA-N 1 3 321.465 2.144 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@@H](C)c1ccccc1C ZINC001420736287 1171094772 /nfs/dbraw/zinc/09/47/72/1171094772.db2.gz CTLFIHJTQACCRM-INIZCTEOSA-N 1 3 305.466 2.446 20 0 DEADHO C[C@@H]([NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CC1)c1ccccc1 ZINC001420957059 1171378645 /nfs/dbraw/zinc/37/86/45/1171378645.db2.gz GAIROIANMMOFPH-OAHLLOKOSA-N 1 3 315.461 2.470 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2)C[C@H]1C ZINC001421102900 1171495378 /nfs/dbraw/zinc/49/53/78/1171495378.db2.gz KFIIKGCVPZNFMQ-SJLPKXTDSA-N 1 3 317.477 2.498 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@]1(C)CCC[N@H+](CCCF)C1)N(C)C ZINC001421288437 1171676345 /nfs/dbraw/zinc/67/63/45/1171676345.db2.gz JMRZJZXFJKEHLO-NVXWUHKLSA-N 1 3 315.477 2.151 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]C/C=C/Cl)CCC1 ZINC001421748799 1171960312 /nfs/dbraw/zinc/96/03/12/1171960312.db2.gz TWFXOZPYTMRGPB-VZUFXWRPSA-N 1 3 313.873 2.242 20 0 DEADHO Cc1ccccc1C[NH2+]C1(CNC(=O)CN(C)C(C)C)CCC1 ZINC001421803464 1172004773 /nfs/dbraw/zinc/00/47/73/1172004773.db2.gz KLUIPEJRRQPKLV-UHFFFAOYSA-N 1 3 317.477 2.464 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[N@H+](C)CCC1CC1 ZINC001421902314 1172108064 /nfs/dbraw/zinc/10/80/64/1172108064.db2.gz PFAHCFIGEWRLPX-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[N@@H+](C)CCC1CC1 ZINC001421902314 1172108071 /nfs/dbraw/zinc/10/80/71/1172108071.db2.gz PFAHCFIGEWRLPX-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001422025887 1172239416 /nfs/dbraw/zinc/23/94/16/1172239416.db2.gz FMKCYRVNLPCHTF-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO CCc1ccccc1C[N@@H+](C)CCN(C)C(=O)[C@H](CC)N(C)C ZINC001422233897 1172419939 /nfs/dbraw/zinc/41/99/39/1172419939.db2.gz XILIDHXYTHIGHL-SFHVURJKSA-N 1 3 319.493 2.479 20 0 DEADHO CCc1ccccc1C[N@H+](C)CCN(C)C(=O)[C@H](CC)N(C)C ZINC001422233897 1172419943 /nfs/dbraw/zinc/41/99/43/1172419943.db2.gz XILIDHXYTHIGHL-SFHVURJKSA-N 1 3 319.493 2.479 20 0 DEADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+]CC2CC(C)(C)C2)C1 ZINC001422288951 1172458831 /nfs/dbraw/zinc/45/88/31/1172458831.db2.gz MODWALRNNOZADJ-UHFFFAOYSA-N 1 3 309.498 2.247 20 0 DEADHO Cc1cccc(C[NH2+]C[C@@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001422512778 1172665670 /nfs/dbraw/zinc/66/56/70/1172665670.db2.gz SOWVGVRMQWJNPZ-OAHLLOKOSA-N 1 3 303.450 2.074 20 0 DEADHO Cc1ccc(F)cc1CN(C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001422569338 1172718250 /nfs/dbraw/zinc/71/82/50/1172718250.db2.gz TWGQCFZADVYFPE-CQSZACIVSA-N 1 3 309.429 2.022 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)c1cccc(OC)c1)N(C)C ZINC001422697748 1172815543 /nfs/dbraw/zinc/81/55/43/1172815543.db2.gz QKZURWQVEYWTEE-VBQJREDUSA-N 1 3 321.465 2.191 20 0 DEADHO Cc1cc(C)c(CN2CC[C@H]2CNC(=O)CC[NH+](C)C)c(C)c1 ZINC001423117972 1173090322 /nfs/dbraw/zinc/09/03/22/1173090322.db2.gz TWTFXAMRVDEHNJ-KRWDZBQOSA-N 1 3 317.477 2.254 20 0 DEADHO CC[C@@H](F)CN[C@H](C)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001423174092 1173143253 /nfs/dbraw/zinc/14/32/53/1173143253.db2.gz SCRFEJFMDZMSDL-HUUCEWRRSA-N 1 3 301.450 2.047 20 0 DEADHO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CN(C)C(C)C)C2)cc1 ZINC001423343593 1173270139 /nfs/dbraw/zinc/27/01/39/1173270139.db2.gz FICFUPOZHJPJJW-SJLPKXTDSA-N 1 3 317.477 2.414 20 0 DEADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]CCC(F)(F)F)C(C)(C)C1)N(C)C ZINC001423408127 1173335189 /nfs/dbraw/zinc/33/51/89/1173335189.db2.gz XGMRISDLHRGLNX-RYUDHWBXSA-N 1 3 323.403 2.106 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCC1)C2 ZINC001423928832 1173579753 /nfs/dbraw/zinc/57/97/53/1173579753.db2.gz LDJQGMSWBYJWPC-BBWFWOEESA-N 1 3 307.482 2.096 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCC1)C2 ZINC001423928832 1173579757 /nfs/dbraw/zinc/57/97/57/1173579757.db2.gz LDJQGMSWBYJWPC-BBWFWOEESA-N 1 3 307.482 2.096 20 0 DEADHO CC[C@@H](C(=O)N1CCC(C)([NH2+]C/C=C\Cl)CC1)N(C)C ZINC001424490535 1173808906 /nfs/dbraw/zinc/80/89/06/1173808906.db2.gz LAUPURRKQXNKLP-XURPKSDJSA-N 1 3 301.862 2.050 20 0 DEADHO CC[N@H+](CC(C)C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001424661116 1173859087 /nfs/dbraw/zinc/85/90/87/1173859087.db2.gz MYVCOHIWYWKJSE-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CC[N@@H+](CC(C)C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001424661116 1173859090 /nfs/dbraw/zinc/85/90/90/1173859090.db2.gz MYVCOHIWYWKJSE-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]CCc1ccccc1 ZINC001425580892 1174382097 /nfs/dbraw/zinc/38/20/97/1174382097.db2.gz QUBPBLBUOMPZRW-INIZCTEOSA-N 1 3 317.477 2.150 20 0 DEADHO C[C@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)NC/C=C/Cl ZINC001425596133 1174391690 /nfs/dbraw/zinc/39/16/90/1174391690.db2.gz NUGCQKUTMVTHOV-LHRNQBEKSA-N 1 3 313.873 2.051 20 0 DEADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C)c(F)c1 ZINC001425681960 1174457250 /nfs/dbraw/zinc/45/72/50/1174457250.db2.gz OAEHJBOUEMQBIM-OAHLLOKOSA-N 1 3 323.456 2.412 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC2CC(C)C2)C(C)(C)C1 ZINC001425978557 1174549123 /nfs/dbraw/zinc/54/91/23/1174549123.db2.gz WEQWKQIQJREOQL-UYSNPLJNSA-N 1 3 309.498 2.201 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]C/C=C/Cl)C1 ZINC001426244502 1174667258 /nfs/dbraw/zinc/66/72/58/1174667258.db2.gz IVGKCXSQFYSZDB-CMADPMSPSA-N 1 3 313.873 2.192 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C2CCCCC2)CC1 ZINC001428357042 1175335917 /nfs/dbraw/zinc/33/59/17/1175335917.db2.gz UNOHLDQIFTYUIP-QGZVFWFLSA-N 1 3 322.497 2.131 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C2CCCCC2)CC1 ZINC001428357042 1175335925 /nfs/dbraw/zinc/33/59/25/1175335925.db2.gz UNOHLDQIFTYUIP-QGZVFWFLSA-N 1 3 322.497 2.131 20 0 DEADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(C)(C)N1CCCCC1 ZINC001434177535 1178309332 /nfs/dbraw/zinc/30/93/32/1178309332.db2.gz GEADFEDBZKUYHR-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO O[C@@H](C[NH2+]Cc1cccc(-c2cccnc2)c1)CN1CCCC1 ZINC001434500246 1178683057 /nfs/dbraw/zinc/68/30/57/1178683057.db2.gz HYUOMJJTFBIXLB-IBGZPJMESA-N 1 3 311.429 2.295 20 0 DEADHO CN(C)C[C@@H]1CC[N@H+](Cc2cc3ccc(F)cc3[nH]c2=O)C1 ZINC001434526360 1178772458 /nfs/dbraw/zinc/77/24/58/1178772458.db2.gz WSDUOMUQNUBCGR-LBPRGKRZSA-N 1 3 303.381 2.463 20 0 DEADHO CN(C)C[C@@H]1CC[N@@H+](Cc2cc3ccc(F)cc3[nH]c2=O)C1 ZINC001434526360 1178772483 /nfs/dbraw/zinc/77/24/83/1178772483.db2.gz WSDUOMUQNUBCGR-LBPRGKRZSA-N 1 3 303.381 2.463 20 0 DEADHO C[C@H]1COCC[C@@H]1C[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001434529777 1178784120 /nfs/dbraw/zinc/78/41/20/1178784120.db2.gz OFPQONHYNOEHKB-KNXWPPODSA-N 1 3 310.482 2.282 20 0 DEADHO CC[NH+]1CCC(CNC2(c3cc(C)no3)CCOCC2)CC1 ZINC001434534862 1178800553 /nfs/dbraw/zinc/80/05/53/1178800553.db2.gz RXQMHOZUVDHBPU-UHFFFAOYSA-N 1 3 307.438 2.310 20 0 DEADHO CC1(C)CO[C@H](C[NH2+]C2CCC(C)(N3CCOCC3)CC2)C1 ZINC001434535808 1178801109 /nfs/dbraw/zinc/80/11/09/1178801109.db2.gz LDRAIUGWADTOPV-PQUAAJSLSA-N 1 3 310.482 2.425 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001437320244 1179718879 /nfs/dbraw/zinc/71/88/79/1179718879.db2.gz AKGMQJLGUGWJHZ-MRXNPFEDSA-N 1 3 321.440 2.104 20 0 DEADHO CCN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)Cc1ccc(F)cc1 ZINC001437636246 1179871695 /nfs/dbraw/zinc/87/16/95/1179871695.db2.gz AHMQRLOXBAMTKG-MRXNPFEDSA-N 1 3 321.440 2.106 20 0 DEADHO CCN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)Cc1ccc(F)cc1 ZINC001437636246 1179871699 /nfs/dbraw/zinc/87/16/99/1179871699.db2.gz AHMQRLOXBAMTKG-MRXNPFEDSA-N 1 3 321.440 2.106 20 0 DEADHO C[N@H+](CCCC1CCC1)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001437987252 1180137334 /nfs/dbraw/zinc/13/73/34/1180137334.db2.gz IYFAREFAHJHEDJ-GOSISDBHSA-N 1 3 321.509 2.443 20 0 DEADHO C[N@@H+](CCCC1CCC1)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001437987252 1180137343 /nfs/dbraw/zinc/13/73/43/1180137343.db2.gz IYFAREFAHJHEDJ-GOSISDBHSA-N 1 3 321.509 2.443 20 0 DEADHO CC[C@H](C(=O)N(CC)[C@@H]1CC[N@H+](CC2CC2)C1)N(CC)CC ZINC001438263318 1180300590 /nfs/dbraw/zinc/30/05/90/1180300590.db2.gz GACBWPKXONYFSL-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N(CC)[C@@H]1CC[N@@H+](CC2CC2)C1)N(CC)CC ZINC001438263318 1180300601 /nfs/dbraw/zinc/30/06/01/1180300601.db2.gz GACBWPKXONYFSL-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+]C/C=C/Cl)CC1 ZINC001438443190 1180433868 /nfs/dbraw/zinc/43/38/68/1180433868.db2.gz ITIOYLHLFYDBIN-KZACIIDJSA-N 1 3 301.862 2.098 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]CC1CC(C)(C)C1 ZINC001438526398 1180546951 /nfs/dbraw/zinc/54/69/51/1180546951.db2.gz CQQSWVCWDWWVIE-LSDHHAIUSA-N 1 3 309.498 2.106 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCC2(NCCF)CCCC2)C1 ZINC001438597176 1180645861 /nfs/dbraw/zinc/64/58/61/1180645861.db2.gz BUEMHUNJJWTYJD-OAHLLOKOSA-N 1 3 313.461 2.097 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)NCC2(NCCF)CCCC2)C1 ZINC001438597176 1180645885 /nfs/dbraw/zinc/64/58/85/1180645885.db2.gz BUEMHUNJJWTYJD-OAHLLOKOSA-N 1 3 313.461 2.097 20 0 DEADHO Cc1cc(CNC2(CNC(=O)CCC[NH+](C)C)CC2)c(C)s1 ZINC001439642274 1181182414 /nfs/dbraw/zinc/18/24/14/1181182414.db2.gz ZOJBDVLCCLHHHL-UHFFFAOYSA-N 1 3 323.506 2.445 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2cc(C)ccc2C)CC1)N(C)C ZINC001439646976 1181183710 /nfs/dbraw/zinc/18/37/10/1181183710.db2.gz RPNNDEYELRLWBR-KRWDZBQOSA-N 1 3 317.477 2.382 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+]C/C=C/c2ccccc2)CC1 ZINC001439678965 1181196130 /nfs/dbraw/zinc/19/61/30/1181196130.db2.gz VITCKSHXCROSGU-JXMROGBWSA-N 1 3 315.461 2.278 20 0 DEADHO CC[C@@H](C)C[NH2+]C1(CC)CCN(C(=O)CN2CCCC2)CC1 ZINC001440540994 1181589800 /nfs/dbraw/zinc/58/98/00/1181589800.db2.gz WLCAUDAXWIWJLW-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO Cc1ccc(CC[NH2+][C@@H](C)[C@H](C)NC(=O)CN(C)C(C)C)cc1 ZINC001440849333 1181727372 /nfs/dbraw/zinc/72/73/72/1181727372.db2.gz BYFHEQTXBWAXAU-IRXDYDNUSA-N 1 3 319.493 2.361 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001441658552 1182117376 /nfs/dbraw/zinc/11/73/76/1182117376.db2.gz OGTKMKBVZPVCOA-KBPBESRZSA-N 1 3 319.440 2.199 20 0 DEADHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCc1ccsc1 ZINC001441852266 1182215311 /nfs/dbraw/zinc/21/53/11/1182215311.db2.gz ADVRZZQQZGHZJB-HIFRSBDPSA-N 1 3 309.479 2.217 20 0 DEADHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCc1ccsc1 ZINC001441852266 1182215319 /nfs/dbraw/zinc/21/53/19/1182215319.db2.gz ADVRZZQQZGHZJB-HIFRSBDPSA-N 1 3 309.479 2.217 20 0 DEADHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCc1cccc(F)c1 ZINC001441855655 1182216680 /nfs/dbraw/zinc/21/66/80/1182216680.db2.gz FVRFQPFRZBOFSG-PBHICJAKSA-N 1 3 321.440 2.294 20 0 DEADHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCc1cccc(F)c1 ZINC001441855655 1182216688 /nfs/dbraw/zinc/21/66/88/1182216688.db2.gz FVRFQPFRZBOFSG-PBHICJAKSA-N 1 3 321.440 2.294 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]C/C=C\Cl ZINC001441991233 1182278351 /nfs/dbraw/zinc/27/83/51/1182278351.db2.gz HKUGZNHGRHKSQF-APMKWMSLSA-N 1 3 301.862 2.096 20 0 DEADHO CCN(C/C=C/c1ccccc1)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001442744188 1182681975 /nfs/dbraw/zinc/68/19/75/1182681975.db2.gz KWYHSZWLCXWYAI-HKMNZKMDSA-N 1 3 315.461 2.090 20 0 DEADHO CCN(C/C=C/c1ccccc1)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001442744188 1182681985 /nfs/dbraw/zinc/68/19/85/1182681985.db2.gz KWYHSZWLCXWYAI-HKMNZKMDSA-N 1 3 315.461 2.090 20 0 DEADHO C[C@H]([NH2+]CCN(C)C(=O)C1(N(C)C)CCC1)c1cccc(F)c1 ZINC001443084547 1182844341 /nfs/dbraw/zinc/84/43/41/1182844341.db2.gz ZQDLZHBVDNPQLN-AWEZNQCLSA-N 1 3 321.440 2.419 20 0 DEADHO CC(C)C[C@H](C)C[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001443336124 1182938625 /nfs/dbraw/zinc/93/86/25/1182938625.db2.gz PUTUIYWOMJFPOM-JKSUJKDBSA-N 1 3 320.481 2.415 20 0 DEADHO CC(C)C[C@H](C)C[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001443336124 1182938633 /nfs/dbraw/zinc/93/86/33/1182938633.db2.gz PUTUIYWOMJFPOM-JKSUJKDBSA-N 1 3 320.481 2.415 20 0 DEADHO CCCN(C)CC(=O)NCC1C[NH+](CC2CCC(C)CC2)C1 ZINC001443634428 1183062933 /nfs/dbraw/zinc/06/29/33/1183062933.db2.gz ISIGVMYVXHOXOI-UHFFFAOYSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C[NH+](C)C)CC1 ZINC001443684647 1183082838 /nfs/dbraw/zinc/08/28/38/1183082838.db2.gz CVHOBDOOBWEHPI-HOTGVXAUSA-N 1 3 307.482 2.050 20 0 DEADHO CN(CC(=O)N[C@H]1CC[C@H]([NH2+]C/C=C/Cl)CC1)C1CCC1 ZINC001444175270 1183307623 /nfs/dbraw/zinc/30/76/23/1183307623.db2.gz VFZMNAMZSHXDQZ-HRMMWWRKSA-N 1 3 313.873 2.240 20 0 DEADHO CC[NH2+]Cc1ccc(CNC(=O)C(C)(C)N2CCCC2)cc1 ZINC001444207597 1183315978 /nfs/dbraw/zinc/31/59/78/1183315978.db2.gz JGOUGQTVWWLPMV-UHFFFAOYSA-N 1 3 303.450 2.287 20 0 DEADHO C[C@@H](C[NH2+][C@@H]1CCc2ccccc21)N(C)C(=O)CN1CCCC1 ZINC001444718848 1183529706 /nfs/dbraw/zinc/52/97/06/1183529706.db2.gz FPUGRXNBVFYCGX-MAUKXSAKSA-N 1 3 315.461 2.206 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCC(F)(F)F)[C@H](C)C1 ZINC001444792978 1183556223 /nfs/dbraw/zinc/55/62/23/1183556223.db2.gz RWRNJXMIUVZSCG-OLZOCXBDSA-N 1 3 323.403 2.107 20 0 DEADHO CC(C)[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]C/C=C\Cl ZINC001444918343 1183646709 /nfs/dbraw/zinc/64/67/09/1183646709.db2.gz VWSKOEYFSXJKNM-WBTMPAOCSA-N 1 3 317.905 2.447 20 0 DEADHO Cc1cc(C)c(CN(C)CCN(C)C(=O)CC[NH+](C)C)c(C)c1 ZINC001445031856 1183726895 /nfs/dbraw/zinc/72/68/95/1183726895.db2.gz VXBPSBJIFMPVOG-UHFFFAOYSA-N 1 3 319.493 2.454 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001445389069 1183858953 /nfs/dbraw/zinc/85/89/53/1183858953.db2.gz KTIDXWJLUFGIDB-MRXNPFEDSA-N 1 3 317.477 2.382 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001445555916 1183902345 /nfs/dbraw/zinc/90/23/45/1183902345.db2.gz ACPQAEHKABCAEA-AWEZNQCLSA-N 1 3 321.440 2.213 20 0 DEADHO C[NH+](C)CC1(C(=O)NC[C@@H]2CCN2CCCC2CCC2)CC1 ZINC001446076573 1184215751 /nfs/dbraw/zinc/21/57/51/1184215751.db2.gz PKKADEZCXXUCGD-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO CN(CC(=O)NCC1([NH2+]Cc2ccccc2)CC1)CC(C)(C)C ZINC001446254631 1184285698 /nfs/dbraw/zinc/28/56/98/1184285698.db2.gz URAZZSJNHNZEFI-UHFFFAOYSA-N 1 3 317.477 2.403 20 0 DEADHO CN(CC(=O)NC[C@@]1(C)CCC[N@H+](CCCF)C1)C1CCC1 ZINC001446686364 1184503802 /nfs/dbraw/zinc/50/38/02/1184503802.db2.gz RZRCXLGEXXLVCR-QGZVFWFLSA-N 1 3 313.461 2.049 20 0 DEADHO CN(CC(=O)NC[C@@]1(C)CCC[N@@H+](CCCF)C1)C1CCC1 ZINC001446686364 1184503809 /nfs/dbraw/zinc/50/38/09/1184503809.db2.gz RZRCXLGEXXLVCR-QGZVFWFLSA-N 1 3 313.461 2.049 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CCC[N@H+](C[C@H](F)CC)CC1 ZINC001447322323 1184722732 /nfs/dbraw/zinc/72/27/32/1184722732.db2.gz QVZTTWBUTPCPIJ-CABCVRRESA-N 1 3 301.450 2.047 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CCC[N@@H+](C[C@H](F)CC)CC1 ZINC001447322323 1184722737 /nfs/dbraw/zinc/72/27/37/1184722737.db2.gz QVZTTWBUTPCPIJ-CABCVRRESA-N 1 3 301.450 2.047 20 0 DEADHO CC1CCN(CC(=O)N2CCC[C@H]2C[N@H+](C)CCCF)CC1 ZINC001447779234 1184870901 /nfs/dbraw/zinc/87/09/01/1184870901.db2.gz IXLWRMFLZJCHBA-INIZCTEOSA-N 1 3 313.461 2.001 20 0 DEADHO CC1CCN(CC(=O)N2CCC[C@H]2C[N@@H+](C)CCCF)CC1 ZINC001447779234 1184870904 /nfs/dbraw/zinc/87/09/04/1184870904.db2.gz IXLWRMFLZJCHBA-INIZCTEOSA-N 1 3 313.461 2.001 20 0 DEADHO CN(CC(=O)N1CCC([N@H+](C)C/C=C\Cl)CC1)C1CCC1 ZINC001448537958 1185281656 /nfs/dbraw/zinc/28/16/56/1185281656.db2.gz QJWFXUQJVLAXBA-WTKPLQERSA-N 1 3 313.873 2.146 20 0 DEADHO CN(CC(=O)N1CCC([N@@H+](C)C/C=C\Cl)CC1)C1CCC1 ZINC001448537958 1185281662 /nfs/dbraw/zinc/28/16/62/1185281662.db2.gz QJWFXUQJVLAXBA-WTKPLQERSA-N 1 3 313.873 2.146 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C[NH2+]CC1CC(C)C1)C(C)(C)C ZINC001449329476 1185655881 /nfs/dbraw/zinc/65/58/81/1185655881.db2.gz QAEMBQWSEUXKTD-UYSNPLJNSA-N 1 3 311.514 2.495 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001370664300 1149826512 /nfs/dbraw/zinc/82/65/12/1149826512.db2.gz JOSCIHHCUUGQDA-GASCZTMLSA-N 1 3 323.868 2.419 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1)N(C)C ZINC001370717112 1149829179 /nfs/dbraw/zinc/82/91/79/1149829179.db2.gz ZTVWLMVWQXLGDL-IXDOHACOSA-N 1 3 309.498 2.390 20 0 DEADHO CCC(CC)C[NH2+]C1(C)CCN(C(=O)CN2CCCC2)CC1 ZINC001408084608 1165468907 /nfs/dbraw/zinc/46/89/07/1165468907.db2.gz AMXOWRKWAQRSEN-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CC/C=C/CC[N@H+]1CC=C(CNC(=O)CN(C)C(C)C)CC1 ZINC001333457709 1150052735 /nfs/dbraw/zinc/05/27/35/1150052735.db2.gz LGZDKGTZSBIECE-VOTSOKGWSA-N 1 3 307.482 2.431 20 0 DEADHO CC/C=C/CC[N@@H+]1CC=C(CNC(=O)CN(C)C(C)C)CC1 ZINC001333457709 1150052738 /nfs/dbraw/zinc/05/27/38/1150052738.db2.gz LGZDKGTZSBIECE-VOTSOKGWSA-N 1 3 307.482 2.431 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C[C@H]1C ZINC000947615381 783189927 /nfs/dbraw/zinc/18/99/27/783189927.db2.gz IDRRYNQCQWGIBV-HZPDHXFCSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C[C@H]1C ZINC000947615381 783189933 /nfs/dbraw/zinc/18/99/33/783189933.db2.gz IDRRYNQCQWGIBV-HZPDHXFCSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C[C@@H]1C ZINC000947615382 783190568 /nfs/dbraw/zinc/19/05/68/783190568.db2.gz IDRRYNQCQWGIBV-JKSUJKDBSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C[C@@H]1C ZINC000947615382 783190569 /nfs/dbraw/zinc/19/05/69/783190569.db2.gz IDRRYNQCQWGIBV-JKSUJKDBSA-N 1 3 309.498 2.486 20 0 DEADHO CCC[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)CC(C)(C)C1 ZINC001089548927 783198477 /nfs/dbraw/zinc/19/84/77/783198477.db2.gz QNFHJZVRHLFUCL-CQSZACIVSA-N 1 3 306.454 2.277 20 0 DEADHO CCC[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)CC(C)(C)C1 ZINC001089548927 783198483 /nfs/dbraw/zinc/19/84/83/783198483.db2.gz QNFHJZVRHLFUCL-CQSZACIVSA-N 1 3 306.454 2.277 20 0 DEADHO CC(C)CC[N@@H+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001072979520 790350932 /nfs/dbraw/zinc/35/09/32/790350932.db2.gz BTKVIUZJKZJITE-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)CC[N@H+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001072979520 790350941 /nfs/dbraw/zinc/35/09/41/790350941.db2.gz BTKVIUZJKZJITE-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CC[N@H+](CC1CCCC1)C2 ZINC001072980098 790351906 /nfs/dbraw/zinc/35/19/06/790351906.db2.gz YEXXAQORHFGEJB-INIZCTEOSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CC[N@@H+](CC1CCCC1)C2 ZINC001072980098 790351917 /nfs/dbraw/zinc/35/19/17/790351917.db2.gz YEXXAQORHFGEJB-INIZCTEOSA-N 1 3 319.493 2.195 20 0 DEADHO CN1CCC[C@H](C[N@@H+]2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)C1 ZINC001208608418 776599717 /nfs/dbraw/zinc/59/97/17/776599717.db2.gz SKGOVJRWBDSCKX-RWMBFGLXSA-N 1 3 312.351 2.056 20 0 DEADHO CN1CCC[C@H](C[N@H+]2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)C1 ZINC001208608418 776599723 /nfs/dbraw/zinc/59/97/23/776599723.db2.gz SKGOVJRWBDSCKX-RWMBFGLXSA-N 1 3 312.351 2.056 20 0 DEADHO C[C@H](C[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1)CN(C)C ZINC000724104466 777241457 /nfs/dbraw/zinc/24/14/57/777241457.db2.gz RRESAFRMXTVISB-ILXRZTDVSA-N 1 3 313.486 2.467 20 0 DEADHO CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001161390820 777312485 /nfs/dbraw/zinc/31/24/85/777312485.db2.gz KPLHXOLGVOPBEQ-QGZVFWFLSA-N 1 3 307.482 2.408 20 0 DEADHO CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001161390820 777312488 /nfs/dbraw/zinc/31/24/88/777312488.db2.gz KPLHXOLGVOPBEQ-QGZVFWFLSA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+]CC[C@H](C)F ZINC001167628092 777405414 /nfs/dbraw/zinc/40/54/14/777405414.db2.gz WCPKEMFJMIWJQL-GJZGRUSLSA-N 1 3 301.450 2.093 20 0 DEADHO CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC001075461984 777463860 /nfs/dbraw/zinc/46/38/60/777463860.db2.gz YECPCFWWDLNQQK-QGZVFWFLSA-N 1 3 321.509 2.443 20 0 DEADHO CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC001075461984 777463863 /nfs/dbraw/zinc/46/38/63/777463863.db2.gz YECPCFWWDLNQQK-QGZVFWFLSA-N 1 3 321.509 2.443 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C/C=C\Cl)C1)N(C)C ZINC001104690314 778023966 /nfs/dbraw/zinc/02/39/66/778023966.db2.gz DFPBSHHJIOVACA-UMYCQHFCSA-N 1 3 315.889 2.153 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCC2)C1)N(C)C ZINC001104691149 778025856 /nfs/dbraw/zinc/02/58/56/778025856.db2.gz KENKIUBKUONCKU-OIISXLGYSA-N 1 3 309.498 2.201 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CC(C)C2)C1 ZINC001104937822 778265151 /nfs/dbraw/zinc/26/51/51/778265151.db2.gz IOWCEZJUHDLVGW-GPQLOAJWSA-N 1 3 323.525 2.449 20 0 DEADHO CC(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001112524348 778482840 /nfs/dbraw/zinc/48/28/40/778482840.db2.gz JLROUDVSIJMEAM-SCTDSRPQSA-N 1 3 323.525 2.447 20 0 DEADHO Cc1ccccc1C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160426028 790639152 /nfs/dbraw/zinc/63/91/52/790639152.db2.gz CIEKNLHUJUBZCY-KRWDZBQOSA-N 1 3 305.466 2.177 20 0 DEADHO CNC(=O)CCN[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168019423 779398326 /nfs/dbraw/zinc/39/83/26/779398326.db2.gz IWJWKMLGSXNTGS-SCAQPMJSSA-N 1 3 303.450 2.154 20 0 DEADHO CNC(=O)CCN[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168019423 779398331 /nfs/dbraw/zinc/39/83/31/779398331.db2.gz IWJWKMLGSXNTGS-SCAQPMJSSA-N 1 3 303.450 2.154 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)CC[N@@H+]1CC(C)C ZINC001087672219 779403993 /nfs/dbraw/zinc/40/39/93/779403993.db2.gz JKAKRLTYZXUTCG-RCCFBDPRSA-N 1 3 321.509 2.486 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)CC[N@H+]1CC(C)C ZINC001087672219 779403996 /nfs/dbraw/zinc/40/39/96/779403996.db2.gz JKAKRLTYZXUTCG-RCCFBDPRSA-N 1 3 321.509 2.486 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCC(N(C)CCF)CC2)C1 ZINC000985593718 779943719 /nfs/dbraw/zinc/94/37/19/779943719.db2.gz OGSJTANACCSBLO-HNNXBMFYSA-N 1 3 313.461 2.001 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCC(N(C)CCF)CC2)C1 ZINC000985593718 779943725 /nfs/dbraw/zinc/94/37/25/779943725.db2.gz OGSJTANACCSBLO-HNNXBMFYSA-N 1 3 313.461 2.001 20 0 DEADHO CCC[NH2+][C@@H]1CCCCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001088380678 780047227 /nfs/dbraw/zinc/04/72/27/780047227.db2.gz NDPJBNIXTVJDDU-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO C[NH+]1CCC(CC(=O)N2CCCCC[C@H](NCCF)C2)CC1 ZINC001088393797 780066433 /nfs/dbraw/zinc/06/64/33/780066433.db2.gz NPFJESKWQQQXMP-INIZCTEOSA-N 1 3 313.461 2.049 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)[C@H]1C ZINC001088768885 780968985 /nfs/dbraw/zinc/96/89/85/780968985.db2.gz IOTCFUJGAXWRBH-PVAVHDDUSA-N 1 3 307.482 2.096 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)[C@H]1C ZINC001088768885 780968988 /nfs/dbraw/zinc/96/89/88/780968988.db2.gz IOTCFUJGAXWRBH-PVAVHDDUSA-N 1 3 307.482 2.096 20 0 DEADHO Cc1cccc(C)c1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000967926350 784178150 /nfs/dbraw/zinc/17/81/50/784178150.db2.gz UFDVHIGTRNHRLP-SJLPKXTDSA-N 1 3 315.461 2.088 20 0 DEADHO C[NH+](C)CCCN1CCN(Cc2cccc3cc[nH]c32)CC1 ZINC001144717173 791004701 /nfs/dbraw/zinc/00/47/01/791004701.db2.gz DZWZDLYBGMGNGY-UHFFFAOYSA-N 1 3 300.450 2.237 20 0 DEADHO CC(C)=CCN1CC[C@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968149890 784237861 /nfs/dbraw/zinc/23/78/61/784237861.db2.gz GIIBXULIMYLDQS-DOTOQJQBSA-N 1 3 307.482 2.121 20 0 DEADHO CN(C[C@H]1CCN1CCCC1CCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001085973350 784276724 /nfs/dbraw/zinc/27/67/24/784276724.db2.gz UPJYYUSUOSQVCI-DLBZAZTESA-N 1 3 307.482 2.051 20 0 DEADHO CN(C[C@H]1CCN1CCCC1CCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001085973350 784276730 /nfs/dbraw/zinc/27/67/30/784276730.db2.gz UPJYYUSUOSQVCI-DLBZAZTESA-N 1 3 307.482 2.051 20 0 DEADHO CN(C[C@@H]1CCN1CCCC1CCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001085973352 784277741 /nfs/dbraw/zinc/27/77/41/784277741.db2.gz UPJYYUSUOSQVCI-IRXDYDNUSA-N 1 3 307.482 2.051 20 0 DEADHO CN(C[C@@H]1CCN1CCCC1CCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001085973352 784277747 /nfs/dbraw/zinc/27/77/47/784277747.db2.gz UPJYYUSUOSQVCI-IRXDYDNUSA-N 1 3 307.482 2.051 20 0 DEADHO CN(C)Cc1cccc(C(=O)N(C)C[C@H]2CC[N@@H+]2CC2CC2)c1 ZINC001085984329 784286010 /nfs/dbraw/zinc/28/60/10/784286010.db2.gz AEGRWDLMSGVLIO-GOSISDBHSA-N 1 3 315.461 2.305 20 0 DEADHO CN(C)Cc1cccc(C(=O)N(C)C[C@H]2CC[N@H+]2CC2CC2)c1 ZINC001085984329 784286015 /nfs/dbraw/zinc/28/60/15/784286015.db2.gz AEGRWDLMSGVLIO-GOSISDBHSA-N 1 3 315.461 2.305 20 0 DEADHO CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968327986 784291421 /nfs/dbraw/zinc/29/14/21/784291421.db2.gz VQTIKZWUSVUTIE-YJBOKZPZSA-N 1 3 317.477 2.251 20 0 DEADHO CCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C(C)C ZINC001114921302 784491677 /nfs/dbraw/zinc/49/16/77/784491677.db2.gz KGHPNGZYPLQDFK-XDNAFOTISA-N 1 3 321.509 2.486 20 0 DEADHO CCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C(C)C ZINC001114921302 784491680 /nfs/dbraw/zinc/49/16/80/784491680.db2.gz KGHPNGZYPLQDFK-XDNAFOTISA-N 1 3 321.509 2.486 20 0 DEADHO CN(CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(F)c2)C1)C1CCC1 ZINC000968921659 784652568 /nfs/dbraw/zinc/65/25/68/784652568.db2.gz DOTCFHMFQLTYDI-MRXNPFEDSA-N 1 3 319.424 2.001 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCc2cccs2)C1)N(C)C ZINC000968990232 784682777 /nfs/dbraw/zinc/68/27/77/784682777.db2.gz YNMSNJKOJQBMIG-ZBFHGGJFSA-N 1 3 323.506 2.067 20 0 DEADHO CC[C@H](F)C[NH2+]CCCC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001171236137 791080856 /nfs/dbraw/zinc/08/08/56/791080856.db2.gz LLZROKKPMRRGAT-GJZGRUSLSA-N 1 3 315.477 2.483 20 0 DEADHO C[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC2CC2)C1)N1CCCCCC1 ZINC001008751346 785294823 /nfs/dbraw/zinc/29/48/23/785294823.db2.gz ZNGCQAJMSCRALH-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CC2)C1)N1CCCCCC1 ZINC001008751346 785294827 /nfs/dbraw/zinc/29/48/27/785294827.db2.gz ZNGCQAJMSCRALH-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO C[NH+](C)CCC(C)(C)Nc1cncc([C@@H]2CN3CCC2CC3)n1 ZINC001169717764 785325227 /nfs/dbraw/zinc/32/52/27/785325227.db2.gz KKGBRRRKDVJGJO-OAHLLOKOSA-N 1 3 317.481 2.428 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC1)N(C)C ZINC001109426897 785869008 /nfs/dbraw/zinc/86/90/08/785869008.db2.gz DRJLYKLXOASPPN-QZWWFDLISA-N 1 3 307.482 2.094 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1)N(C)C ZINC001109426897 785869017 /nfs/dbraw/zinc/86/90/17/785869017.db2.gz DRJLYKLXOASPPN-QZWWFDLISA-N 1 3 307.482 2.094 20 0 DEADHO CC[C@H](F)C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001171254300 791149825 /nfs/dbraw/zinc/14/98/25/791149825.db2.gz QPYCGQQSWKEIJR-CABCVRRESA-N 1 3 315.477 2.483 20 0 DEADHO CC(C)C[C@@H](C)CN1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001112857236 786259572 /nfs/dbraw/zinc/25/95/72/786259572.db2.gz BMXONOFXHWWZDO-AEFFLSMTSA-N 1 3 321.509 2.155 20 0 DEADHO Cc1ccccc1CN1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001014477258 786596569 /nfs/dbraw/zinc/59/65/69/786596569.db2.gz WCXZSKQUZANYPQ-KBAYOESNSA-N 1 3 315.461 2.026 20 0 DEADHO Cc1ccccc1CN1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001014477258 786596573 /nfs/dbraw/zinc/59/65/73/786596573.db2.gz WCXZSKQUZANYPQ-KBAYOESNSA-N 1 3 315.461 2.026 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(CC)CC)C1 ZINC001014630161 786667547 /nfs/dbraw/zinc/66/75/47/786667547.db2.gz MRFSONWHSQHYQT-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(CC)CC)C1 ZINC001014630161 786667551 /nfs/dbraw/zinc/66/75/51/786667551.db2.gz MRFSONWHSQHYQT-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CN(CC(=O)NCC[NH2+]CCc1ccc(Cl)cc1)C1CCC1 ZINC001129531591 787222140 /nfs/dbraw/zinc/22/21/40/787222140.db2.gz APBRBDPRJUKERM-UHFFFAOYSA-N 1 3 323.868 2.073 20 0 DEADHO Cc1cc(CNCCNC(=O)CC[C@@H]2CCC[N@H+]2C)cs1 ZINC001129842137 787249919 /nfs/dbraw/zinc/24/99/19/787249919.db2.gz UUAHNURXXBSQCR-HNNXBMFYSA-N 1 3 309.479 2.137 20 0 DEADHO Cc1cc(CNCCNC(=O)CC[C@@H]2CCC[N@@H+]2C)cs1 ZINC001129842137 787249922 /nfs/dbraw/zinc/24/99/22/787249922.db2.gz UUAHNURXXBSQCR-HNNXBMFYSA-N 1 3 309.479 2.137 20 0 DEADHO Cn1ccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001170526840 787518090 /nfs/dbraw/zinc/51/80/90/787518090.db2.gz XCSCNEBJLOSBNK-UHFFFAOYSA-N 1 3 323.444 2.330 20 0 DEADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001096348193 787628398 /nfs/dbraw/zinc/62/83/98/787628398.db2.gz FEQPOSXPUQZECX-YVSFHVDLSA-N 1 3 305.466 2.016 20 0 DEADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001096348193 787628400 /nfs/dbraw/zinc/62/84/00/787628400.db2.gz FEQPOSXPUQZECX-YVSFHVDLSA-N 1 3 305.466 2.016 20 0 DEADHO C[C@H](Nc1ccc(F)c(CN2CCCC2)c1)[C@@H]1C[NH2+]CCO1 ZINC001170576471 787678069 /nfs/dbraw/zinc/67/80/69/787678069.db2.gz VLFBQZFDUOPAID-GUYCJALGSA-N 1 3 307.413 2.210 20 0 DEADHO C[C@H](Nc1ccc(F)c(C[NH+]2CCCC2)c1)[C@@H]1CNCCO1 ZINC001170576471 787678073 /nfs/dbraw/zinc/67/80/73/787678073.db2.gz VLFBQZFDUOPAID-GUYCJALGSA-N 1 3 307.413 2.210 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC2CC2)C1 ZINC001132153961 787946915 /nfs/dbraw/zinc/94/69/15/787946915.db2.gz VKKNHHAMNXXYDD-GOEBONIOSA-N 1 3 309.498 2.486 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCC2CC2)C1 ZINC001132153961 787946921 /nfs/dbraw/zinc/94/69/21/787946921.db2.gz VKKNHHAMNXXYDD-GOEBONIOSA-N 1 3 309.498 2.486 20 0 DEADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CC1)C12CCCN1CCC2 ZINC001097429948 788101834 /nfs/dbraw/zinc/10/18/34/788101834.db2.gz CIFNUPBOXMPAOA-ZACQAIPSSA-N 1 3 317.477 2.136 20 0 DEADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1)C12CCCN1CCC2 ZINC001097429948 788101840 /nfs/dbraw/zinc/10/18/40/788101840.db2.gz CIFNUPBOXMPAOA-ZACQAIPSSA-N 1 3 317.477 2.136 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]Cc3ccccc3)C2)C1 ZINC001000191550 788336784 /nfs/dbraw/zinc/33/67/84/788336784.db2.gz JTMSNDXFJJOHGF-WMZOPIPTSA-N 1 3 315.461 2.109 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCCOC ZINC001134773211 789073318 /nfs/dbraw/zinc/07/33/18/789073318.db2.gz NJHYCADZCINMAB-HUUCEWRRSA-N 1 3 315.502 2.016 20 0 DEADHO CCCCCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCF ZINC001135691131 789451156 /nfs/dbraw/zinc/45/11/56/789451156.db2.gz OYAMYSUBNATYRO-GJZGRUSLSA-N 1 3 303.466 2.341 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1c(C)noc1C ZINC001135744271 789475796 /nfs/dbraw/zinc/47/57/96/789475796.db2.gz YNWBAWYYQFABMK-CHWSQXEVSA-N 1 3 324.469 2.006 20 0 DEADHO CCOC(=O)c1cc2c(ccc(N[C@@H](N)CCC[NH3+])c2C)o1 ZINC001170906882 789648528 /nfs/dbraw/zinc/64/85/28/789648528.db2.gz YKPXIEGAMQCSMC-OAHLLOKOSA-N 1 3 305.378 2.354 20 0 DEADHO CC(C)=CCN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001071994829 790002935 /nfs/dbraw/zinc/00/29/35/790002935.db2.gz HQHIEYMTQWANOG-CVEARBPZSA-N 1 3 305.466 2.018 20 0 DEADHO C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C[NH2+]CC1CCC1 ZINC001072298340 790109381 /nfs/dbraw/zinc/10/93/81/790109381.db2.gz XVWZKCFRXCXROF-WBVHZDCISA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CC3CCCCC3)[C@@H]2C)C1 ZINC001074880731 791365431 /nfs/dbraw/zinc/36/54/31/791365431.db2.gz WMVKTMRMWZXBOA-BQFCYCMXSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccccc2F)[C@@H]1C)N(C)C ZINC001074888721 791371463 /nfs/dbraw/zinc/37/14/63/791371463.db2.gz XUBZRNVPUHAPGA-JQFCIGGWSA-N 1 3 321.440 2.245 20 0 DEADHO CCC[NH+](CCC)CCCC(=O)NCCNC/C=C/Cl ZINC001147450083 791549579 /nfs/dbraw/zinc/54/95/79/791549579.db2.gz YGDPLLWZXGWPCJ-SOFGYWHQSA-N 1 3 303.878 2.347 20 0 DEADHO CCC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@]2(C)C1 ZINC001091671972 791668120 /nfs/dbraw/zinc/66/81/20/791668120.db2.gz AKGHZHSAHZXTAS-APWZRJJASA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@]2(C)C1 ZINC001091671972 791668127 /nfs/dbraw/zinc/66/81/27/791668127.db2.gz AKGHZHSAHZXTAS-APWZRJJASA-N 1 3 321.509 2.441 20 0 DEADHO CCCCC[N@@H+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001148292611 791730621 /nfs/dbraw/zinc/73/06/21/791730621.db2.gz MOCZLYFVFJCFJT-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CCCCC[N@H+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001148292611 791730624 /nfs/dbraw/zinc/73/06/24/791730624.db2.gz MOCZLYFVFJCFJT-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO Cc1ccc(CNCCNC(=O)CCCC[NH+](C)C)cc1F ZINC001148365687 791742668 /nfs/dbraw/zinc/74/26/68/791742668.db2.gz WLWLTYPQQQSPSN-UHFFFAOYSA-N 1 3 309.429 2.072 20 0 DEADHO CCC[N@H+](C)CCC(=O)NCCN[C@H](C)c1cccc(F)c1 ZINC001148578513 791776810 /nfs/dbraw/zinc/77/68/10/791776810.db2.gz VQJHTHIBFZJFEU-CQSZACIVSA-N 1 3 309.429 2.324 20 0 DEADHO CCC[N@@H+](C)CCC(=O)NCCN[C@H](C)c1cccc(F)c1 ZINC001148578513 791776812 /nfs/dbraw/zinc/77/68/12/791776812.db2.gz VQJHTHIBFZJFEU-CQSZACIVSA-N 1 3 309.429 2.324 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C ZINC001092658397 792104139 /nfs/dbraw/zinc/10/41/39/792104139.db2.gz SNZLJRHCNDYCTJ-NXHRZFHOSA-N 1 3 321.509 2.345 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C ZINC001092658397 792104144 /nfs/dbraw/zinc/10/41/44/792104144.db2.gz SNZLJRHCNDYCTJ-NXHRZFHOSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@H](C(=O)NCC1CC([NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001100442415 792655141 /nfs/dbraw/zinc/65/51/41/792655141.db2.gz GMMBWIQTWRDUDB-BDVYOWHSSA-N 1 3 321.440 2.150 20 0 DEADHO CC(C)[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001094088959 792723215 /nfs/dbraw/zinc/72/32/15/792723215.db2.gz YNEJEYSYAVQGOV-BRWVUGGUSA-N 1 3 309.498 2.342 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1CC([NH2+]CC2CCCCC2)C1 ZINC001100921645 792919821 /nfs/dbraw/zinc/91/98/21/792919821.db2.gz WZVICFFJADDEGG-UHFFFAOYSA-N 1 3 318.465 2.325 20 0 DEADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]CCc2cccs2)C1 ZINC001101036265 792978290 /nfs/dbraw/zinc/97/82/90/792978290.db2.gz LSEHKFUFRZPSSG-UHFFFAOYSA-N 1 3 323.506 2.115 20 0 DEADHO CN1C(C)(C)CC([NH+]2CCC3(CNC(=O)O3)CC2)CC1(C)C ZINC001171639370 793173270 /nfs/dbraw/zinc/17/32/70/793173270.db2.gz HUNDKBWDZMYENE-UHFFFAOYSA-N 1 3 309.454 2.212 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1ccccc1CC ZINC001171758304 793197104 /nfs/dbraw/zinc/19/71/04/793197104.db2.gz VZDONDIDMXIDSP-UHFFFAOYSA-N 1 3 305.466 2.187 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]CCCc1ccccc1C ZINC001171770036 793200459 /nfs/dbraw/zinc/20/04/59/793200459.db2.gz KOAAFOYOPHACFL-UHFFFAOYSA-N 1 3 319.493 2.365 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCC(=O)Nc1nccs1)C2 ZINC001172106858 793329538 /nfs/dbraw/zinc/32/95/38/793329538.db2.gz QLFPNTONGCGDGD-CLLJXQQHSA-N 1 3 308.451 2.077 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCC(=O)Nc1nccs1)C2 ZINC001172106858 793329544 /nfs/dbraw/zinc/32/95/44/793329544.db2.gz QLFPNTONGCGDGD-CLLJXQQHSA-N 1 3 308.451 2.077 20 0 DEADHO CN1C(C)(C)CC([NH2+][C@@H]2CCN3C(=O)CC[C@H]3C2)CC1(C)C ZINC001172156229 793352775 /nfs/dbraw/zinc/35/27/75/793352775.db2.gz OSQDDAMIUAKSGQ-HIFRSBDPSA-N 1 3 307.482 2.381 20 0 DEADHO CCC(CC)N1CCC([NH2+][C@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172164152 793357008 /nfs/dbraw/zinc/35/70/08/793357008.db2.gz YRPNDRAIRXZJJU-DOTOQJQBSA-N 1 3 307.482 2.382 20 0 DEADHO CN1CCC[C@H]1CC[NH2+][C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172673050 793478037 /nfs/dbraw/zinc/47/80/37/793478037.db2.gz WTDXRPBCASXWBG-ROUUACIJSA-N 1 3 315.461 2.252 20 0 DEADHO C[N@@H+]1CCC[C@H]1CCN[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172673050 793478040 /nfs/dbraw/zinc/47/80/40/793478040.db2.gz WTDXRPBCASXWBG-ROUUACIJSA-N 1 3 315.461 2.252 20 0 DEADHO C[N@H+]1CCC[C@H]1CCN[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172673050 793478047 /nfs/dbraw/zinc/47/80/47/793478047.db2.gz WTDXRPBCASXWBG-ROUUACIJSA-N 1 3 315.461 2.252 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048500 793486712 /nfs/dbraw/zinc/48/67/12/793486712.db2.gz FBLQRVFVTALILN-HABNCWAESA-N 1 3 321.509 2.367 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048500 793486716 /nfs/dbraw/zinc/48/67/16/793486716.db2.gz FBLQRVFVTALILN-HABNCWAESA-N 1 3 321.509 2.367 20 0 DEADHO C[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102048412 793487082 /nfs/dbraw/zinc/48/70/82/793487082.db2.gz ALWILJLZJVBUAJ-ZTFGCOKTSA-N 1 3 321.509 2.201 20 0 DEADHO C[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102048412 793487086 /nfs/dbraw/zinc/48/70/86/793487086.db2.gz ALWILJLZJVBUAJ-ZTFGCOKTSA-N 1 3 321.509 2.201 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]CCCCC(F)(F)F ZINC001174682274 794039328 /nfs/dbraw/zinc/03/93/28/794039328.db2.gz JASSVHWVWMAJPT-UHFFFAOYSA-N 1 3 320.359 2.089 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+][C@H]1CCc2ccccc21 ZINC001174683907 794040843 /nfs/dbraw/zinc/04/08/43/794040843.db2.gz WMMSBXASDNCZQW-INIZCTEOSA-N 1 3 312.417 2.044 20 0 DEADHO C[C@@H](CCCC[NH2+]CCCF)NC(=O)CN1CCC(C)(C)C1 ZINC001175274006 794164871 /nfs/dbraw/zinc/16/48/71/794164871.db2.gz ZXFQJXZLVBBFGP-HNNXBMFYSA-N 1 3 315.477 2.343 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C ZINC001103677128 794188393 /nfs/dbraw/zinc/18/83/93/794188393.db2.gz MKYAVHOZIRUFQK-CZUORRHYSA-N 1 3 318.465 2.135 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C ZINC001103677128 794188397 /nfs/dbraw/zinc/18/83/97/794188397.db2.gz MKYAVHOZIRUFQK-CZUORRHYSA-N 1 3 318.465 2.135 20 0 DEADHO CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCCN2CC)C1 ZINC001103756816 794213681 /nfs/dbraw/zinc/21/36/81/794213681.db2.gz BHUNXVUAEMIYAA-BRWVUGGUSA-N 1 3 309.498 2.345 20 0 DEADHO CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCCN2CC)C1 ZINC001103756816 794213687 /nfs/dbraw/zinc/21/36/87/794213687.db2.gz BHUNXVUAEMIYAA-BRWVUGGUSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCF ZINC001175572713 794245574 /nfs/dbraw/zinc/24/55/74/794245574.db2.gz KHPUGDPKJJMWRV-JKSUJKDBSA-N 1 3 315.477 2.483 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCF ZINC001176760172 794499108 /nfs/dbraw/zinc/49/91/08/794499108.db2.gz QXRKNNOORULTSG-HZPDHXFCSA-N 1 3 315.477 2.485 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCF ZINC001176760173 794499250 /nfs/dbraw/zinc/49/92/50/794499250.db2.gz QXRKNNOORULTSG-JKSUJKDBSA-N 1 3 315.477 2.485 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[NH2+]C/C=C/c1ccccc1 ZINC001176980339 794547482 /nfs/dbraw/zinc/54/74/82/794547482.db2.gz CDQJJLJVIGINCB-YRNVUSSQSA-N 1 3 303.450 2.136 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1cccc(F)c1 ZINC001176986303 794547718 /nfs/dbraw/zinc/54/77/18/794547718.db2.gz JZYRGRMXPIXZNH-KRWDZBQOSA-N 1 3 321.440 2.296 20 0 DEADHO CCN(CC)CC(=O)NCC1([NH2+]CC[C@H](C)F)CCCCC1 ZINC001115777336 794916563 /nfs/dbraw/zinc/91/65/63/794916563.db2.gz SQLWZNKWSVHUGP-HNNXBMFYSA-N 1 3 315.477 2.485 20 0 DEADHO CC[C@H](F)C[NH2+]CCCCCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001178698487 794980187 /nfs/dbraw/zinc/98/01/87/794980187.db2.gz IXIOFIHECKIYLD-JKSUJKDBSA-N 1 3 315.477 2.341 20 0 DEADHO C[C@H]1[C@@H]([NH2+]C/C=C\Cl)CCN1C(=O)CN(C)CC(C)(C)C ZINC001179550027 795135101 /nfs/dbraw/zinc/13/51/01/795135101.db2.gz PZGWJFZLHIFYCG-KQYOJSHESA-N 1 3 315.889 2.296 20 0 DEADHO C[C@H](F)CC[NH2+]CCCCCCNC(=O)CN1CC[C@@H](C)C1 ZINC001179586825 795138047 /nfs/dbraw/zinc/13/80/47/795138047.db2.gz TVJCPYHINGRFFR-CVEARBPZSA-N 1 3 315.477 2.343 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]Cc2ccsc2)[C@@H]1C ZINC001179766017 795175510 /nfs/dbraw/zinc/17/55/10/795175510.db2.gz KYORHHNXPTXUDJ-ZFWWWQNUSA-N 1 3 309.479 2.169 20 0 DEADHO CN(CC(=O)N1CCCC[C@H]1C[NH+]1CCCC1)C1CCCC1 ZINC001180628322 795346098 /nfs/dbraw/zinc/34/60/98/795346098.db2.gz SJCVBMWBQWQXRB-KRWDZBQOSA-N 1 3 307.482 2.338 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](C(=O)N(C)CCN(C)Cc2ccccc2)C1 ZINC001181975835 795586853 /nfs/dbraw/zinc/58/68/53/795586853.db2.gz FNIYZCAPEWQUJV-GOSISDBHSA-N 1 3 317.477 2.307 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](C(=O)N(C)CCN(C)Cc2ccccc2)C1 ZINC001181975835 795586860 /nfs/dbraw/zinc/58/68/60/795586860.db2.gz FNIYZCAPEWQUJV-GOSISDBHSA-N 1 3 317.477 2.307 20 0 DEADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cc2c(cccc2C)[nH]1 ZINC001151083439 795605818 /nfs/dbraw/zinc/60/58/18/795605818.db2.gz VLEKNOLWUWWTEJ-UHFFFAOYSA-N 1 3 315.421 2.154 20 0 DEADHO CN(C)[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CCC1CC1)C2)C1CC1 ZINC001121247075 795608306 /nfs/dbraw/zinc/60/83/06/795608306.db2.gz WZMRWIRQGXQLDA-APUKJBRXSA-N 1 3 319.493 2.144 20 0 DEADHO CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001121246122 795608315 /nfs/dbraw/zinc/60/83/15/795608315.db2.gz MACQDOCCCCFPKK-HZSMHAMKSA-N 1 3 321.509 2.390 20 0 DEADHO CC[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CC=C(C)C)C2)N(C)C ZINC001121798942 795689006 /nfs/dbraw/zinc/68/90/06/795689006.db2.gz UYYJFKBQESBIGN-HVEGKCCWSA-N 1 3 307.482 2.310 20 0 DEADHO CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)CN(CC)CC)C2)C1 ZINC001121936079 795707062 /nfs/dbraw/zinc/70/70/62/795707062.db2.gz ZEGHGHSQJCELFL-XOGYLQAWSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001182590439 795712838 /nfs/dbraw/zinc/71/28/38/795712838.db2.gz OHMDSAMMCSXLFN-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1cc(CN2CCC[C@](C)([NH3+])CC2)cc(C)c1OCCO ZINC001205289622 796005421 /nfs/dbraw/zinc/00/54/21/796005421.db2.gz ZUOLKKIDKJMJNQ-SFHVURJKSA-N 1 3 306.450 2.378 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1C[NH2+]CCC1CC1 ZINC001184557452 796083286 /nfs/dbraw/zinc/08/32/86/796083286.db2.gz XQHRWSIVRBPZQO-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@H](C[NH2+]CC(C)C)[C@@H](C)C1 ZINC001184712185 796108281 /nfs/dbraw/zinc/10/82/81/796108281.db2.gz KFJJXNYHDXLSBO-JKSUJKDBSA-N 1 3 311.514 2.447 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H](NC/C=C\Cl)C2)C1 ZINC001185091278 796180290 /nfs/dbraw/zinc/18/02/90/796180290.db2.gz SKRRZYDWZOYLIW-DGPIVGRDSA-N 1 3 313.873 2.051 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H](NC/C=C\Cl)C2)C1 ZINC001185091278 796180291 /nfs/dbraw/zinc/18/02/91/796180291.db2.gz SKRRZYDWZOYLIW-DGPIVGRDSA-N 1 3 313.873 2.051 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H](C[NH2+]CCC2CC2)[C@@H](C)C1 ZINC001185348815 796235808 /nfs/dbraw/zinc/23/58/08/796235808.db2.gz SKXKBQHQFLPWGH-RDJZCZTQSA-N 1 3 309.498 2.203 20 0 DEADHO Cc1cccc(Cl)c1CN[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185415765 796260973 /nfs/dbraw/zinc/26/09/73/796260973.db2.gz HRWFUDFCWGUWNC-CQSZACIVSA-N 1 3 323.868 2.291 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CC2CCC2)[C@H](C)C1 ZINC001185551477 796281503 /nfs/dbraw/zinc/28/15/03/796281503.db2.gz ZSSOIHRFJJXPQK-WBVHZDCISA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)CC[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001185751322 796315597 /nfs/dbraw/zinc/31/55/97/796315597.db2.gz PBKHQDVUGZJLKQ-DLBZAZTESA-N 1 3 311.514 2.447 20 0 DEADHO CC[NH+](CC)[C@H](C(=O)N1CC[C@@H](NC/C=C\Cl)C1)C(C)C ZINC001186420684 796404432 /nfs/dbraw/zinc/40/44/32/796404432.db2.gz QZNFWMQYOOEXOM-MJYKILKPSA-N 1 3 315.889 2.296 20 0 DEADHO COCCn1cc(CN(C)CC2CC[NH+](C(C)C)CC2)cn1 ZINC001139782460 796427023 /nfs/dbraw/zinc/42/70/23/796427023.db2.gz KGVLNXQUMUVJST-UHFFFAOYSA-N 1 3 308.470 2.082 20 0 DEADHO CCC[NH+](CCC)CCCC(=O)N1CC[C@@H](NCCF)C1 ZINC001187018493 796472170 /nfs/dbraw/zinc/47/21/70/796472170.db2.gz PDBDHJXEQVNZBN-OAHLLOKOSA-N 1 3 301.450 2.049 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001187321958 796518069 /nfs/dbraw/zinc/51/80/69/796518069.db2.gz JOMCUQNURXMEBS-OFLPRAFFSA-N 1 3 309.498 2.345 20 0 DEADHO COC(=O)Cc1ccc(C[NH+]2CCC(N3CCC3)CC2)cc1 ZINC001142912600 796783570 /nfs/dbraw/zinc/78/35/70/796783570.db2.gz OHBFKRXJYSXMGN-UHFFFAOYSA-N 1 3 302.418 2.072 20 0 DEADHO CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001189391004 796816261 /nfs/dbraw/zinc/81/62/61/796816261.db2.gz VINSOSABCCKWHI-NGHLMZTLSA-N 1 3 307.482 2.360 20 0 DEADHO CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001189391004 796816264 /nfs/dbraw/zinc/81/62/64/796816264.db2.gz VINSOSABCCKWHI-NGHLMZTLSA-N 1 3 307.482 2.360 20 0 DEADHO CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001189391105 796816730 /nfs/dbraw/zinc/81/67/30/796816730.db2.gz VINSOSABCCKWHI-SEDCNLEPSA-N 1 3 307.482 2.360 20 0 DEADHO CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001189391105 796816732 /nfs/dbraw/zinc/81/67/32/796816732.db2.gz VINSOSABCCKWHI-SEDCNLEPSA-N 1 3 307.482 2.360 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C)cc1C ZINC001152458343 797191081 /nfs/dbraw/zinc/19/10/81/797191081.db2.gz NUORBWKZUQIZEB-GOSISDBHSA-N 1 3 317.477 2.384 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C)c(F)c1 ZINC001152457498 797191209 /nfs/dbraw/zinc/19/12/09/797191209.db2.gz GIMPMBFOIXTWDO-KRWDZBQOSA-N 1 3 321.440 2.214 20 0 DEADHO CC[N@H+](CCC1CC1)[C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001153313055 797320714 /nfs/dbraw/zinc/32/07/14/797320714.db2.gz QHALODFANWOTJB-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO CC[N@@H+](CCC1CC1)[C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001153313055 797320720 /nfs/dbraw/zinc/32/07/20/797320720.db2.gz QHALODFANWOTJB-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO CN(Cc1ccc(Cl)cc1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192163086 797329005 /nfs/dbraw/zinc/32/90/05/797329005.db2.gz TZXVKSZXYKHRGJ-MRXNPFEDSA-N 1 3 323.868 2.324 20 0 DEADHO CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001192342268 797366250 /nfs/dbraw/zinc/36/62/50/797366250.db2.gz BTWBWNNFEBGQNP-MBZYTVFJSA-N 1 3 307.482 2.360 20 0 DEADHO CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001192342268 797366255 /nfs/dbraw/zinc/36/62/55/797366255.db2.gz BTWBWNNFEBGQNP-MBZYTVFJSA-N 1 3 307.482 2.360 20 0 DEADHO CC[N@H+](CC[C@@H](C)F)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001153829103 797405789 /nfs/dbraw/zinc/40/57/89/797405789.db2.gz YAALCHKHWUJYFR-ZIAGYGMSSA-N 1 3 301.450 2.045 20 0 DEADHO CC[N@@H+](CC[C@@H](C)F)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001153829103 797405791 /nfs/dbraw/zinc/40/57/91/797405791.db2.gz YAALCHKHWUJYFR-ZIAGYGMSSA-N 1 3 301.450 2.045 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C)cc2)C1 ZINC001192959896 797474176 /nfs/dbraw/zinc/47/41/76/797474176.db2.gz LOOKTIUWRQFVQT-SFHVURJKSA-N 1 3 317.477 2.370 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2)C1 ZINC001192959896 797474181 /nfs/dbraw/zinc/47/41/81/797474181.db2.gz LOOKTIUWRQFVQT-SFHVURJKSA-N 1 3 317.477 2.370 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC001192970837 797483727 /nfs/dbraw/zinc/48/37/27/797483727.db2.gz YYBCCUQFQRBQMG-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001192970837 797483730 /nfs/dbraw/zinc/48/37/30/797483730.db2.gz YYBCCUQFQRBQMG-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)CC2CC3(CCC3)C2)C1 ZINC001192970157 797483967 /nfs/dbraw/zinc/48/39/67/797483967.db2.gz PUZXRFCSKDHTOK-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)CC2CC3(CCC3)C2)C1 ZINC001192970157 797483969 /nfs/dbraw/zinc/48/39/69/797483969.db2.gz PUZXRFCSKDHTOK-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)OC(C)C)[C@@H](C)C1 ZINC001193648650 797602680 /nfs/dbraw/zinc/60/26/80/797602680.db2.gz HQLGBHNUUHIHGA-JKSUJKDBSA-N 1 3 314.470 2.055 20 0 DEADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)OC(C)C)[C@@H](C)C1 ZINC001193648650 797602686 /nfs/dbraw/zinc/60/26/86/797602686.db2.gz HQLGBHNUUHIHGA-JKSUJKDBSA-N 1 3 314.470 2.055 20 0 DEADHO Cc1nc(NC[C@@H]2CCC[NH2+]C[C@H]2C)cc(N2CCCC2)n1 ZINC001155020848 797661884 /nfs/dbraw/zinc/66/18/84/797661884.db2.gz PMECWFVAFBTADO-HIFRSBDPSA-N 1 3 303.454 2.433 20 0 DEADHO C[C@H]1C[NH2+]CCC[C@@H]1CNc1cc(Cl)nc2c1CCNC2 ZINC001155031267 797664846 /nfs/dbraw/zinc/66/48/46/797664846.db2.gz MHHZEOLCNLKXKK-NWDGAFQWSA-N 1 3 308.857 2.428 20 0 DEADHO CC(C)=CCN(C)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194238094 797698581 /nfs/dbraw/zinc/69/85/81/797698581.db2.gz IGJAKOJIYLOCHR-QGZVFWFLSA-N 1 3 307.482 2.361 20 0 DEADHO CC[N@H+](Cc1ccccc1)[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001155254872 797718390 /nfs/dbraw/zinc/71/83/90/797718390.db2.gz HIPKMNXRPDCKFB-DLBZAZTESA-N 1 3 317.477 2.355 20 0 DEADHO CC[N@@H+](Cc1ccccc1)[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001155254872 797718393 /nfs/dbraw/zinc/71/83/93/797718393.db2.gz HIPKMNXRPDCKFB-DLBZAZTESA-N 1 3 317.477 2.355 20 0 DEADHO Cc1cc2c(nc(Cl)nc2NC(=N)NCCCC[NH3+])s1 ZINC001157093904 798142975 /nfs/dbraw/zinc/14/29/75/798142975.db2.gz IFIRQMZBTFZZAW-UHFFFAOYSA-N 1 3 312.830 2.328 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC[C@H](C)C(F)(F)CC1 ZINC001157851388 798293310 /nfs/dbraw/zinc/29/33/10/798293310.db2.gz YXCZWSKGWZEIQN-KBPBESRZSA-N 1 3 319.440 2.376 20 0 DEADHO CCc1cccc(C[NH2+]CCNC(=O)[C@@H]2CCCCN2CC)c1 ZINC001152445225 798322632 /nfs/dbraw/zinc/32/26/32/798322632.db2.gz DWEGSVPQDBVEGU-SFHVURJKSA-N 1 3 317.477 2.329 20 0 DEADHO CCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001158533972 798423810 /nfs/dbraw/zinc/42/38/10/798423810.db2.gz OUZODPURZMLWKQ-MRXNPFEDSA-N 1 3 306.454 2.455 20 0 DEADHO CCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001158533972 798423811 /nfs/dbraw/zinc/42/38/11/798423811.db2.gz OUZODPURZMLWKQ-MRXNPFEDSA-N 1 3 306.454 2.455 20 0 DEADHO Cc1nnc(Cl)cc1N(C1CC[NH2+]CC1)C1CCN(C)CC1 ZINC001158575376 798433273 /nfs/dbraw/zinc/43/32/73/798433273.db2.gz NWPFSGGUJZMXHK-UHFFFAOYSA-N 1 3 323.872 2.091 20 0 DEADHO CSc1ccnc(N(C2CC[NH2+]CC2)C2CCN(C)CC2)c1 ZINC001158588709 798434081 /nfs/dbraw/zinc/43/40/81/798434081.db2.gz CJOLZGCQGHOZIC-UHFFFAOYSA-N 1 3 320.506 2.456 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([NH2+]Cc2ccccc2F)CC1 ZINC001203925142 798434210 /nfs/dbraw/zinc/43/42/10/798434210.db2.gz LFZKVURHBHECCD-UHFFFAOYSA-N 1 3 321.440 2.247 20 0 DEADHO CCc1nc(C)cc(N(C2CC[NH2+]CC2)C2CCN(C)CC2)n1 ZINC001158588695 798434314 /nfs/dbraw/zinc/43/43/14/798434314.db2.gz CGPCAYITNAIUTQ-UHFFFAOYSA-N 1 3 317.481 2.000 20 0 DEADHO CN(C)[C@@H](C(=O)NCCC[NH2+]Cc1ccc(Cl)cc1)C1CC1 ZINC001159917474 798626204 /nfs/dbraw/zinc/62/62/04/798626204.db2.gz XBEMPMDRIQBBAW-MRXNPFEDSA-N 1 3 323.868 2.276 20 0 DEADHO Cc1ccc(C)c(C[NH2+]CCCNC(=O)CN(C)C2CCC2)c1 ZINC001159991576 798637921 /nfs/dbraw/zinc/63/79/21/798637921.db2.gz BZCGGZPPFODZHY-UHFFFAOYSA-N 1 3 317.477 2.384 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CC1CCC(C)CC1)N(C)C ZINC001160427834 798686644 /nfs/dbraw/zinc/68/66/44/798686644.db2.gz VEGXIWHFNSAKEW-JCYILVPMSA-N 1 3 311.514 2.495 20 0 DEADHO N[C@H](CC(=O)N1CCC([NH3+])CC1)c1cccc(Cl)c1Cl ZINC001160513963 798698224 /nfs/dbraw/zinc/69/82/24/798698224.db2.gz MVHZBYASRLUIIC-GFCCVEGCSA-N 1 3 316.232 2.333 20 0 DEADHO CN(CC(=O)N1CCC([NH2+]CCCCCF)CC1)C1CCC1 ZINC001201066116 798707284 /nfs/dbraw/zinc/70/72/84/798707284.db2.gz FVHUBMVXVRIFSC-UHFFFAOYSA-N 1 3 313.461 2.191 20 0 DEADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCC[C@@H]1C1CCCCC1 ZINC001160828305 798747398 /nfs/dbraw/zinc/74/73/98/798747398.db2.gz YYMSHSJZIZSWSQ-IAGOWNOFSA-N 1 3 319.493 2.432 20 0 DEADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCC[C@@H]1C1CCCCC1 ZINC001160828305 798747400 /nfs/dbraw/zinc/74/74/00/798747400.db2.gz YYMSHSJZIZSWSQ-IAGOWNOFSA-N 1 3 319.493 2.432 20 0 DEADHO CC(C)CCN1CCC([NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC001201621123 798779880 /nfs/dbraw/zinc/77/98/80/798779880.db2.gz YQUBZCZYVPQADZ-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CN(C(=O)[C@@H]1CCC[C@H](c2ccccc2)N1)C1(C)CC[NH2+]CC1 ZINC001161074263 798792234 /nfs/dbraw/zinc/79/22/34/798792234.db2.gz XHUNHASPKLQZSY-SJORKVTESA-N 1 3 315.461 2.470 20 0 DEADHO CCCCCN1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001201734769 798798421 /nfs/dbraw/zinc/79/84/21/798798421.db2.gz JWWOQASPCXJNPN-UHFFFAOYSA-N 1 3 308.470 2.357 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](Nc2cccc3cc([C@H]4CNCCO4)cn32)C1 ZINC001162403111 799078536 /nfs/dbraw/zinc/07/85/36/799078536.db2.gz XZFFOIDJWAUWDT-HLLBOEOZSA-N 1 3 314.433 2.282 20 0 DEADHO CCC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)[C@@H](CC)N(C)C)[C@@H]2C1 ZINC001114463770 799129121 /nfs/dbraw/zinc/12/91/21/799129121.db2.gz LPCSXSPWFDIMSN-QSVSKKNVSA-N 1 3 307.482 2.119 20 0 DEADHO CCC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)[C@@H](CC)N(C)C)[C@@H]2C1 ZINC001114463770 799129123 /nfs/dbraw/zinc/12/91/23/799129123.db2.gz LPCSXSPWFDIMSN-QSVSKKNVSA-N 1 3 307.482 2.119 20 0 DEADHO CN(CC(=O)N1CCC([NH2+]C/C=C\Cl)CC1)CC(C)(C)C ZINC001202540008 799164496 /nfs/dbraw/zinc/16/44/96/799164496.db2.gz SHSLWPQWVHHFJY-YVMONPNESA-N 1 3 315.889 2.297 20 0 DEADHO [NH3+][C@H]1Cc2ccccc2N(c2ccc3c(c2)COC32CNC2)C1 ZINC001162854443 799189893 /nfs/dbraw/zinc/18/98/93/799189893.db2.gz TZTWSHQUJIDNAI-HNNXBMFYSA-N 1 3 307.397 2.037 20 0 DEADHO CC[NH2+]CCN(CCc1ccccc1)C(=O)CN(C)C(C)C ZINC001163007023 799221156 /nfs/dbraw/zinc/22/11/56/799221156.db2.gz NDWKMPJMAXMFQE-UHFFFAOYSA-N 1 3 305.466 2.007 20 0 DEADHO CCN(CC)Cc1cccc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)c1F ZINC001163108247 799248622 /nfs/dbraw/zinc/24/86/22/799248622.db2.gz NAVXBSWRBPLORO-BFYDXBDKSA-N 1 3 321.440 2.314 20 0 DEADHO C[NH+](C)C[C@]12C[C@H]1CN(c1ncccc1CN1CCCC1)C2 ZINC001165182601 799668711 /nfs/dbraw/zinc/66/87/11/799668711.db2.gz KVYQUNBTQUHWKW-WMZOPIPTSA-N 1 3 300.450 2.065 20 0 DEADHO CC[C@@H](F)C[NH2+]CC1(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001165464435 799734457 /nfs/dbraw/zinc/73/44/57/799734457.db2.gz DJNNMNQNPUNXLO-CQSZACIVSA-N 1 3 313.461 2.095 20 0 DEADHO CC(C)[C@H](C(=O)NCCC[NH2+]Cc1ccccc1F)N(C)C ZINC001166004523 799811153 /nfs/dbraw/zinc/81/11/53/799811153.db2.gz QGUJVAWIOYHTKB-MRXNPFEDSA-N 1 3 309.429 2.008 20 0 DEADHO CCc1ccc(C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001166010684 799812279 /nfs/dbraw/zinc/81/22/79/799812279.db2.gz SCIUMTMYJHAVMR-GOSISDBHSA-N 1 3 319.493 2.431 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CCCCC(F)(F)F ZINC001166626958 799904297 /nfs/dbraw/zinc/90/42/97/799904297.db2.gz NBFDGNSEQUTUFB-CYBMUJFWSA-N 1 3 323.403 2.299 20 0 DEADHO C[C@H]([NH2+]CCCNC(=O)CN1CCC[C@H]1C)c1ccc(F)cc1 ZINC001166626960 799905139 /nfs/dbraw/zinc/90/51/39/799905139.db2.gz NCWOMEOBKKOZRB-CABCVRRESA-N 1 3 321.440 2.467 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]Cc2ccc(Cl)cc2)C1 ZINC001166668008 799916061 /nfs/dbraw/zinc/91/60/61/799916061.db2.gz OAJFGULHWBENHV-AWEZNQCLSA-N 1 3 323.868 2.278 20 0 DEADHO CCCCC[NH2+]CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001166686980 799920931 /nfs/dbraw/zinc/92/09/31/799920931.db2.gz GDCJLJBCOKNKLE-KRWDZBQOSA-N 1 3 315.477 2.485 20 0 DEADHO CN(CC(=O)NCCC[NH2+]Cc1ccc(F)cc1)CC(C)(C)C ZINC001166744538 799938594 /nfs/dbraw/zinc/93/85/94/799938594.db2.gz ZAAAYBUWOJZVRY-UHFFFAOYSA-N 1 3 323.456 2.400 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1cccc(C(C)C)n1)N(C)C ZINC001166858542 799966930 /nfs/dbraw/zinc/96/69/30/799966930.db2.gz VYJPUVMRENVXKS-KRWDZBQOSA-N 1 3 320.481 2.141 20 0 DEADHO COC(=O)[C@H]1CCN(Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001204263294 800195846 /nfs/dbraw/zinc/19/58/46/800195846.db2.gz KJPWCRDDKUOEDC-INIZCTEOSA-N 1 3 320.433 2.012 20 0 DEADHO CC[C@H](F)C[NH2+]CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001205469732 800360749 /nfs/dbraw/zinc/36/07/49/800360749.db2.gz VNBSPMPYKQEAAV-HNNXBMFYSA-N 1 3 313.461 2.047 20 0 DEADHO [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccc([O-])c3[nH]c(=O)ccc23)CC1 ZINC001205578903 800379680 /nfs/dbraw/zinc/37/96/80/800379680.db2.gz JUJLLSNCOYKMBE-QGZVFWFLSA-N 1 3 319.380 2.299 20 0 DEADHO [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc([O-])c3[nH]c(=O)ccc23)CC1 ZINC001205578903 800379687 /nfs/dbraw/zinc/37/96/87/800379687.db2.gz JUJLLSNCOYKMBE-QGZVFWFLSA-N 1 3 319.380 2.299 20 0 DEADHO [NH3+]C[C@]1(F)CCCN(Cc2ccnc(OC(F)F)c2)CC1 ZINC001205591452 800382096 /nfs/dbraw/zinc/38/20/96/800382096.db2.gz NBKVGOZTLLQZOF-AWEZNQCLSA-N 1 3 303.328 2.336 20 0 DEADHO [NH3+]C[C@@]1(F)CCCN(Cc2ccnc(OC(F)F)c2)CC1 ZINC001205591453 800382554 /nfs/dbraw/zinc/38/25/54/800382554.db2.gz NBKVGOZTLLQZOF-CQSZACIVSA-N 1 3 303.328 2.336 20 0 DEADHO [NH3+]C[C@@]1(O)CCCCN(Cc2cc(O)cc3ccccc32)C1 ZINC001205726682 800409855 /nfs/dbraw/zinc/40/98/55/800409855.db2.gz WRUPEZONLLJUDK-SFHVURJKSA-N 1 3 300.402 2.221 20 0 DEADHO CNc1nc(SC)ncc1CN1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206002816 800456461 /nfs/dbraw/zinc/45/64/61/800456461.db2.gz BNSCGUUSPHYQFY-VXGBXAGGSA-N 1 3 309.483 2.047 20 0 DEADHO C[C@@H]1C[N@H+](Cc2ccc([O-])c3[nH]c(=O)ccc23)CCC[C@H]1C[NH3+] ZINC001206024342 800460630 /nfs/dbraw/zinc/46/06/30/800460630.db2.gz IPUQGRGMKLBGFE-OLZOCXBDSA-N 1 3 315.417 2.453 20 0 DEADHO C[C@@H]1C[N@@H+](Cc2ccc([O-])c3[nH]c(=O)ccc23)CCC[C@H]1C[NH3+] ZINC001206024342 800460634 /nfs/dbraw/zinc/46/06/34/800460634.db2.gz IPUQGRGMKLBGFE-OLZOCXBDSA-N 1 3 315.417 2.453 20 0 DEADHO C[C@@H]1CN(Cc2cnnn2Cc2ccccc2)CCC[C@H]1C[NH3+] ZINC001206024316 800460791 /nfs/dbraw/zinc/46/07/91/800460791.db2.gz IKIURTFWLNVWGE-WBVHZDCISA-N 1 3 313.449 2.133 20 0 DEADHO CC(C)(C)OC(=O)N1CCN(CC2CC[NH2+]CC2)CC12CC2 ZINC001207439659 800751927 /nfs/dbraw/zinc/75/19/27/800751927.db2.gz YGJKPVLGMGIFPS-UHFFFAOYSA-N 1 3 309.454 2.071 20 0 DEADHO CN(C)CC1(C[N@@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)CCCC1 ZINC001208185177 800925927 /nfs/dbraw/zinc/92/59/27/800925927.db2.gz VUYLSNBUUQQHSP-OLZOCXBDSA-N 1 3 308.388 2.211 20 0 DEADHO CN(C)CC1(C[N@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)CCCC1 ZINC001208185177 800925930 /nfs/dbraw/zinc/92/59/30/800925930.db2.gz VUYLSNBUUQQHSP-OLZOCXBDSA-N 1 3 308.388 2.211 20 0 DEADHO Cc1nccnc1O[C@@H]1CC[N@@H+](CC2(CN(C)C)CCCC2)C1 ZINC001208188662 800927025 /nfs/dbraw/zinc/92/70/25/800927025.db2.gz MSDMZAMTLVVRTO-MRXNPFEDSA-N 1 3 318.465 2.360 20 0 DEADHO Cc1nccnc1O[C@@H]1CC[N@H+](CC2(CN(C)C)CCCC2)C1 ZINC001208188662 800927031 /nfs/dbraw/zinc/92/70/31/800927031.db2.gz MSDMZAMTLVVRTO-MRXNPFEDSA-N 1 3 318.465 2.360 20 0 DEADHO CC/C=C/CC[NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001208341162 800959910 /nfs/dbraw/zinc/95/99/10/800959910.db2.gz VOCIBOIIAOJVTG-APHBUQMISA-N 1 3 307.482 2.408 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1)N(C)C ZINC001208414443 800979373 /nfs/dbraw/zinc/97/93/73/800979373.db2.gz PQUHNYCKFSOSNI-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC[NH+]1CCC(CN2CCCN(C(=O)c3ccco3)CC2)CC1 ZINC001208597421 801023104 /nfs/dbraw/zinc/02/31/04/801023104.db2.gz HFQGXWKXLSSZTI-UHFFFAOYSA-N 1 3 319.449 2.159 20 0 DEADHO COC(=O)[C@H](C)C[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001208723126 801054184 /nfs/dbraw/zinc/05/41/84/801054184.db2.gz LYWWRKGGIZBUCE-MRXNPFEDSA-N 1 3 316.445 2.394 20 0 DEADHO CN(CCOCCOCc1ccccc1)C1CC[NH+](C)CC1 ZINC001208743551 801060481 /nfs/dbraw/zinc/06/04/81/801060481.db2.gz WFQHALODDSFSGC-UHFFFAOYSA-N 1 3 306.450 2.246 20 0 DEADHO C[C@@H](CN1CCN(CC2CC[NH+](C)CC2)CC1)C(F)(F)F ZINC001208899918 801088650 /nfs/dbraw/zinc/08/86/50/801088650.db2.gz HJWHHALOJXGOCI-ZDUSSCGKSA-N 1 3 307.404 2.144 20 0 DEADHO CC[C@@H](C(=O)NC1CC[NH+](CCC2CCCC2)CC1)N(C)C ZINC001229254605 801248244 /nfs/dbraw/zinc/24/82/44/801248244.db2.gz WOLIFEHRRONFJA-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCCCCF)C1)N(C)C ZINC001209670326 801250068 /nfs/dbraw/zinc/25/00/68/801250068.db2.gz YRWXCGKPDZYJQD-GJZGRUSLSA-N 1 3 301.450 2.047 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]([NH2+]CCC2CC2)C1)CC(C)(C)C ZINC001209688211 801256210 /nfs/dbraw/zinc/25/62/10/801256210.db2.gz BEKGWQLSFAJOCR-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001210788358 801463834 /nfs/dbraw/zinc/46/38/34/801463834.db2.gz BVLZCCGLQRCQFL-QGZVFWFLSA-N 1 3 321.440 2.248 20 0 DEADHO CN(C)Cc1cc(F)cc(CN2CCC[C@H]3C[N@H+](C)C[C@@H]32)c1 ZINC001232146619 801800516 /nfs/dbraw/zinc/80/05/16/801800516.db2.gz VYTDCDRVOHIVJW-WMZOPIPTSA-N 1 3 305.441 2.413 20 0 DEADHO CN(C)Cc1cc(F)cc(CN2CCC[C@H]3C[N@@H+](C)C[C@@H]32)c1 ZINC001232146619 801800523 /nfs/dbraw/zinc/80/05/23/801800523.db2.gz VYTDCDRVOHIVJW-WMZOPIPTSA-N 1 3 305.441 2.413 20 0 DEADHO CN(C)Cc1cc(F)cc(CN2CCC[C@@H]3C[N@H+](C)C[C@H]32)c1 ZINC001232146618 801800873 /nfs/dbraw/zinc/80/08/73/801800873.db2.gz VYTDCDRVOHIVJW-SJLPKXTDSA-N 1 3 305.441 2.413 20 0 DEADHO CN(C)Cc1cc(F)cc(CN2CCC[C@@H]3C[N@@H+](C)C[C@H]32)c1 ZINC001232146618 801800882 /nfs/dbraw/zinc/80/08/82/801800882.db2.gz VYTDCDRVOHIVJW-SJLPKXTDSA-N 1 3 305.441 2.413 20 0 DEADHO CN(C)Cc1cc(F)cc(C[N@@H+]2CCC[C@@H](C(=O)N(C)C)C2)c1 ZINC001232147531 801800959 /nfs/dbraw/zinc/80/09/59/801800959.db2.gz PSJIKSNXHXLTSR-MRXNPFEDSA-N 1 3 321.440 2.188 20 0 DEADHO CN(C)Cc1cc(F)cc(C[N@H+]2CCC[C@@H](C(=O)N(C)C)C2)c1 ZINC001232147531 801800964 /nfs/dbraw/zinc/80/09/64/801800964.db2.gz PSJIKSNXHXLTSR-MRXNPFEDSA-N 1 3 321.440 2.188 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CCC(C)(C)C ZINC001215536353 801873683 /nfs/dbraw/zinc/87/36/83/801873683.db2.gz OCUXWMXAELFUPQ-BZUAXINKSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001215550661 801875688 /nfs/dbraw/zinc/87/56/88/801875688.db2.gz DMYIUMZECKWFAH-BZUAXINKSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCC2)C1)N(C)C ZINC001215571194 801876998 /nfs/dbraw/zinc/87/69/98/801876998.db2.gz DFMGNIPREOKWBP-OIISXLGYSA-N 1 3 309.498 2.343 20 0 DEADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1nc2ccccc2o1 ZINC001232557759 801918795 /nfs/dbraw/zinc/91/87/95/801918795.db2.gz HTMAVCGJBFPFHO-JKSUJKDBSA-N 1 3 314.433 2.038 20 0 DEADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1nc2ccccc2o1 ZINC001232557759 801918800 /nfs/dbraw/zinc/91/88/00/801918800.db2.gz HTMAVCGJBFPFHO-JKSUJKDBSA-N 1 3 314.433 2.038 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC001215999031 801925398 /nfs/dbraw/zinc/92/53/98/801925398.db2.gz MLTXCWGQLPXHTO-BRWVUGGUSA-N 1 3 311.514 2.447 20 0 DEADHO CC[NH+]1CCC(Oc2nc3onc(C)c3c3c2CNCC3)CC1 ZINC001218203626 802154162 /nfs/dbraw/zinc/15/41/62/802154162.db2.gz RJQHNGLJWJWHFU-UHFFFAOYSA-N 1 3 316.405 2.040 20 0 DEADHO Cn1c(NC(=O)[C@@H](N)CCCC[NH+](C)C)cc2ccccc21 ZINC001218724772 802233206 /nfs/dbraw/zinc/23/32/06/802233206.db2.gz KJDYPSMSZGBKCR-AWEZNQCLSA-N 1 3 302.422 2.176 20 0 DEADHO CCCc1nc2ccc(NC(=O)[C@@H](N)C3CC[NH2+]CC3)cc2o1 ZINC001218867876 802251598 /nfs/dbraw/zinc/25/15/98/802251598.db2.gz UPBJNRIIPQEEKH-INIZCTEOSA-N 1 3 316.405 2.046 20 0 DEADHO Cc1nc2cc(Cl)c(NC(=O)[C@@H](N)C3CC[NH2+]CC3)cc2o1 ZINC001218913761 802259377 /nfs/dbraw/zinc/25/93/77/802259377.db2.gz WXWKLKYJJJKXJL-AWEZNQCLSA-N 1 3 322.796 2.055 20 0 DEADHO [NH3+][C@H](CC(=O)Nc1cccc2c1CNC2)Cc1cccs1 ZINC001218994686 802271709 /nfs/dbraw/zinc/27/17/09/802271709.db2.gz MQHHOYSCDPHRCU-LBPRGKRZSA-N 1 3 301.415 2.250 20 0 DEADHO O=C(Nc1ccc2c3c(cccc31)CC2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219003869 802273796 /nfs/dbraw/zinc/27/37/96/802273796.db2.gz XJKJLSOTGOLYGP-FOIQADDNSA-N 1 3 321.424 2.076 20 0 DEADHO C[C@@H]1CC(C)(C)c2cccc(NC(=O)[C@H]3C[NH2+]CC34CNC4)c21 ZINC001219038577 802275837 /nfs/dbraw/zinc/27/58/37/802275837.db2.gz YWPKELIBXONWGM-TZMCWYRMSA-N 1 3 313.445 2.219 20 0 DEADHO C[C@H](C(=O)Nc1ccc2c(c1)CNCCO2)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001219028146 802276431 /nfs/dbraw/zinc/27/64/31/802276431.db2.gz QSUAXZLADZHNSR-HZSPNIEDSA-N 1 3 317.433 2.131 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cccc2cncc(F)c21 ZINC001219201489 802297923 /nfs/dbraw/zinc/29/79/23/802297923.db2.gz DKKMFCTYINODIJ-AWEZNQCLSA-N 1 3 318.396 2.372 20 0 DEADHO C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H](c3ccccc3)N2)C[NH2+]1 ZINC001219587191 802351371 /nfs/dbraw/zinc/35/13/71/802351371.db2.gz VDHUGJFXRVNSGZ-LLLHUVSDSA-N 1 3 301.434 2.127 20 0 DEADHO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@](C)(N)Cc1ccc(F)cc1 ZINC001220220940 802427991 /nfs/dbraw/zinc/42/79/91/802427991.db2.gz LGRCDUNIFSVSBJ-BQFCYCMXSA-N 1 3 321.440 2.075 20 0 DEADHO Cc1cccnc1[C@H](NC(=O)[C@@H](N)CCCC[NH+](C)C)C1CC1 ZINC001220256713 802435075 /nfs/dbraw/zinc/43/50/75/802435075.db2.gz CBKFPTXOTFVOEL-DOTOQJQBSA-N 1 3 318.465 2.017 20 0 DEADHO N[C@H](CCC[NH3+])C(=O)NCc1c(Cl)ccc(Cl)c1Cl ZINC001220814461 802501071 /nfs/dbraw/zinc/50/10/71/802501071.db2.gz BWQKJBZGPUPWIN-SNVBAGLBSA-N 1 3 324.639 2.329 20 0 DEADHO CCc1ccc(CN(CC[NH3+])C(=O)c2ccc3c(c2)CNC3)cc1 ZINC001220907537 802510698 /nfs/dbraw/zinc/51/06/98/802510698.db2.gz WIDCSSJLIXRZBB-UHFFFAOYSA-N 1 3 323.440 2.453 20 0 DEADHO O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)c1cc2c(s1)CNCC2 ZINC001221251882 802542888 /nfs/dbraw/zinc/54/28/88/802542888.db2.gz LPZHDIJXKDSRFJ-QGZVFWFLSA-N 1 3 319.474 2.046 20 0 DEADHO CCCCC[N@H+](C)CCC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001221397166 802565973 /nfs/dbraw/zinc/56/59/73/802565973.db2.gz GOQNRXYDBIEXSF-SFHVURJKSA-N 1 3 317.477 2.329 20 0 DEADHO CCCCC[N@@H+](C)CCC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001221397166 802565977 /nfs/dbraw/zinc/56/59/77/802565977.db2.gz GOQNRXYDBIEXSF-SFHVURJKSA-N 1 3 317.477 2.329 20 0 DEADHO Cc1ccc(OC(C)C)c(CN2CCNC3(CC[NH2+]CC3)C2)c1 ZINC001222100064 802643140 /nfs/dbraw/zinc/64/31/40/802643140.db2.gz SWZFPYDSCUAMPT-UHFFFAOYSA-N 1 3 317.477 2.310 20 0 DEADHO [NH3+]CC1(F)CCN(Cc2ccc(N3CCCCC3)nc2)CC1 ZINC001222539392 802704355 /nfs/dbraw/zinc/70/43/55/802704355.db2.gz ZOXPASSPLRBSHF-UHFFFAOYSA-N 1 3 306.429 2.335 20 0 DEADHO CN(C)C1(C(=O)NCC2CC[NH+](CC3CCC3)CC2)CCC1 ZINC001223449466 802790903 /nfs/dbraw/zinc/79/09/03/802790903.db2.gz KDDFQUDUCSNDNQ-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001224558223 802881569 /nfs/dbraw/zinc/88/15/69/802881569.db2.gz CGJPMBNRWXQPNO-HZPDHXFCSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@@H](F)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001226792431 803160796 /nfs/dbraw/zinc/16/07/96/803160796.db2.gz QSUPMIFULRSXQX-RBSFLKMASA-N 1 3 313.461 2.236 20 0 DEADHO C[C@H](F)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001226792432 803160933 /nfs/dbraw/zinc/16/09/33/803160933.db2.gz QSUPMIFULRSXQX-RRFJBIMHSA-N 1 3 313.461 2.236 20 0 DEADHO CC[C@H](F)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC001226832098 803166750 /nfs/dbraw/zinc/16/67/50/803166750.db2.gz ZGWFRBPXFKDGJY-NUEKZKHPSA-N 1 3 313.461 2.236 20 0 DEADHO C[C@@H]([NH2+]Cc1ccccc1)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001368838145 1148703967 /nfs/dbraw/zinc/70/39/67/1148703967.db2.gz IRKRAXVZKPASQE-CABCVRRESA-N 1 3 303.450 2.154 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CC12CC[NH+](CCC1CC1)CC2)N(C)C ZINC001370077099 1149379863 /nfs/dbraw/zinc/37/98/63/1149379863.db2.gz BVSCYLJCQWAANC-HZPDHXFCSA-N 1 3 307.482 2.097 20 0 DEADHO CN(CC(=O)NCC[C@H]1CC[N@@H+](CCCF)C1)CC(C)(C)C ZINC001418909890 1168060818 /nfs/dbraw/zinc/06/08/18/1168060818.db2.gz VHGUMCAUYAOVIN-HNNXBMFYSA-N 1 3 315.477 2.152 20 0 DEADHO CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]CC1CC(F)(F)C1 ZINC001419265346 1168359004 /nfs/dbraw/zinc/35/90/04/1168359004.db2.gz VWUWNEMVPDAMEA-ZIAGYGMSSA-N 1 3 319.440 2.102 20 0 DEADHO CC(C)N(C)CC(=O)NCCC1CC[NH+](C/C=C\Cl)CC1 ZINC001419411894 1168453585 /nfs/dbraw/zinc/45/35/85/1168453585.db2.gz BEUIWPKBEMHDSB-YWEYNIOJSA-N 1 3 315.889 2.297 20 0 DEADHO C[C@@H](NC(=O)C(C)(C)N1CCCC1)[C@H](C)[NH2+]C/C=C\Cl ZINC001368859231 1148723559 /nfs/dbraw/zinc/72/35/59/1148723559.db2.gz DDOLBXIFKYEARM-YMVSPQSISA-N 1 3 301.862 2.096 20 0 DEADHO C[C@H](C[N@H+](C)CCC1CCCC1)NC(=O)C1(N(C)C)CCC1 ZINC001420584925 1169812580 /nfs/dbraw/zinc/81/25/80/1169812580.db2.gz LJUANJIIHXZXLY-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](C[N@@H+](C)CCC1CCCC1)NC(=O)C1(N(C)C)CCC1 ZINC001420584925 1169812584 /nfs/dbraw/zinc/81/25/84/1169812584.db2.gz LJUANJIIHXZXLY-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001370424235 1149693297 /nfs/dbraw/zinc/69/32/97/1149693297.db2.gz CPZZZIQURRNUIL-VOCYLRNQSA-N 1 3 315.461 2.231 20 0 DEADHO CCC(CC)C[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001368345469 1148420336 /nfs/dbraw/zinc/42/03/36/1148420336.db2.gz DFVRGDYSPUEGOK-WBVHZDCISA-N 1 3 311.514 2.447 20 0 DEADHO CC(=O)NCCCN1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC001575011838 1069330213 /nfs/dbraw/zinc/33/02/13/1069330213.db2.gz HLURCAYHFKRMAR-RTBURBONSA-N 1 3 317.477 2.185 20 0 DEADHO CC(=O)NCCC[N@@H+]1CCCC[C@@H]1[C@@H](CN)Cc1ccccc1 ZINC001575011838 1069330182 /nfs/dbraw/zinc/33/01/82/1069330182.db2.gz HLURCAYHFKRMAR-RTBURBONSA-N 1 3 317.477 2.185 20 0 DEADHO CC(=O)NCCC[N@H+]1CCCC[C@@H]1[C@@H](CN)Cc1ccccc1 ZINC001575011838 1069330198 /nfs/dbraw/zinc/33/01/98/1069330198.db2.gz HLURCAYHFKRMAR-RTBURBONSA-N 1 3 317.477 2.185 20 0 DEADHO CC(C)(C)CC[C@H](N)C[N@H+]1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1 ZINC001575131945 1069375117 /nfs/dbraw/zinc/37/51/17/1069375117.db2.gz ZGOKGUSZFOISLF-YESZJQIVSA-N 1 3 317.477 2.341 20 0 DEADHO CC(C)(C)CC[C@H](N)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1 ZINC001575131945 1069375120 /nfs/dbraw/zinc/37/51/20/1069375120.db2.gz ZGOKGUSZFOISLF-YESZJQIVSA-N 1 3 317.477 2.341 20 0 DEADHO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CC3(CN)CCC3)C[C@@H]2C1 ZINC001575197932 1069390644 /nfs/dbraw/zinc/39/06/44/1069390644.db2.gz IQJIAYNSQPOPOA-HUUCEWRRSA-N 1 3 323.481 2.304 20 0 DEADHO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CC3(CN)CCC3)C[C@@H]2C1 ZINC001575197932 1069390651 /nfs/dbraw/zinc/39/06/51/1069390651.db2.gz IQJIAYNSQPOPOA-HUUCEWRRSA-N 1 3 323.481 2.304 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCC2CC2)C1 ZINC001328859246 1148842301 /nfs/dbraw/zinc/84/23/01/1148842301.db2.gz MJRIEJXQZOCJAP-JCYILVPMSA-N 1 3 307.482 2.144 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H](C)C1CN(CCc2cccs2)C1 ZINC001369096086 1148848003 /nfs/dbraw/zinc/84/80/03/1148848003.db2.gz OWMPVNRKEAEQFH-AWEZNQCLSA-N 1 3 323.506 2.069 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)C1CN(CCc2cccs2)C1 ZINC001369096086 1148848005 /nfs/dbraw/zinc/84/80/05/1148848005.db2.gz OWMPVNRKEAEQFH-AWEZNQCLSA-N 1 3 323.506 2.069 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001499883192 1058347092 /nfs/dbraw/zinc/34/70/92/1058347092.db2.gz SJQBKEAQSROAJA-SJORKVTESA-N 1 3 307.482 2.242 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CNCC=C(Cl)Cl ZINC001499939503 1058388487 /nfs/dbraw/zinc/38/84/87/1058388487.db2.gz OIAGCHMWBHJCPJ-GFCCVEGCSA-N 1 3 322.280 2.228 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CNCC=C(Cl)Cl ZINC001499939503 1058388498 /nfs/dbraw/zinc/38/84/98/1058388498.db2.gz OIAGCHMWBHJCPJ-GFCCVEGCSA-N 1 3 322.280 2.228 20 0 DEADHO CC[C@@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)[C@@H](O)C(C)C ZINC001462348485 1058805646 /nfs/dbraw/zinc/80/56/46/1058805646.db2.gz OXGQMHOERNSKIZ-UMQBVGHOSA-N 1 3 312.498 2.405 20 0 DEADHO CN1C[C@@H]2CC[C@@H]([NH2+]C[C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)[C@@H]2C1 ZINC001462672919 1058881962 /nfs/dbraw/zinc/88/19/62/1058881962.db2.gz WGSXIECYNVLLAR-AALSBFMBSA-N 1 3 323.481 2.220 20 0 DEADHO C[C@H](CC[NH+](C)C)C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC001465170719 1059260390 /nfs/dbraw/zinc/26/03/90/1059260390.db2.gz VTLWXKQEJSPWTB-AQFXKWCLSA-N 1 3 309.498 2.297 20 0 DEADHO CC[NH2+][C@H](C)c1ccc(CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001501679959 1059631812 /nfs/dbraw/zinc/63/18/12/1059631812.db2.gz WFNAUKBVDSDRAN-HUUCEWRRSA-N 1 3 303.450 2.315 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CCN(C3CC3)C[C@@H](C)C2)C1 ZINC001468521424 1059803878 /nfs/dbraw/zinc/80/38/78/1059803878.db2.gz CQAPGDPPRDQSOK-HZPDHXFCSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](C(=O)N2CCN(C3CC3)C[C@@H](C)C2)C1 ZINC001468521424 1059803900 /nfs/dbraw/zinc/80/39/00/1059803900.db2.gz CQAPGDPPRDQSOK-HZPDHXFCSA-N 1 3 307.482 2.050 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@@H]1CCCN(C/C=C\Cl)CC1 ZINC001502135727 1059978355 /nfs/dbraw/zinc/97/83/55/1059978355.db2.gz PUDPMSBDDZWRGL-VYLZPFMQSA-N 1 3 301.862 2.051 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C1C[NH+](Cc2cccc(C)c2)C1)N(C)C ZINC001369169962 1148860517 /nfs/dbraw/zinc/86/05/17/1148860517.db2.gz VDTDXQWQXAQRGQ-QAPCUYQASA-N 1 3 317.477 2.272 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2CC[N@H+](CC3CC3)CC2(C)C)CCC1 ZINC001502829219 1060335162 /nfs/dbraw/zinc/33/51/62/1060335162.db2.gz QGVQLLOUMCVNFZ-HNNXBMFYSA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2CC[N@@H+](CC3CC3)CC2(C)C)CCC1 ZINC001502829219 1060335184 /nfs/dbraw/zinc/33/51/84/1060335184.db2.gz QGVQLLOUMCVNFZ-HNNXBMFYSA-N 1 3 307.482 2.097 20 0 DEADHO CCC(CC)C[NH+]1CC([C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001369174756 1148861385 /nfs/dbraw/zinc/86/13/85/1148861385.db2.gz ZRQJQPXIVBKXAY-RHSMWYFYSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)CCC[NH2+]CC1CC(NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001505518379 1060674280 /nfs/dbraw/zinc/67/42/80/1060674280.db2.gz HHMCYHSUECSKQC-KLAILNCOSA-N 1 3 309.498 2.249 20 0 DEADHO Cc1nccn1CCCCN1CCC([NH2+]C2CCOCC2)CC1 ZINC001473792712 1060731115 /nfs/dbraw/zinc/73/11/15/1060731115.db2.gz KAFZULKVWPXJPV-UHFFFAOYSA-N 1 3 320.481 2.205 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCN(C)[C@H]1C)CC(C)C ZINC001477435372 1061170039 /nfs/dbraw/zinc/17/00/39/1061170039.db2.gz DFDLFRBPELOMRA-JYJNAYRXSA-N 1 3 312.502 2.135 20 0 DEADHO CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001479270915 1061352135 /nfs/dbraw/zinc/35/21/35/1061352135.db2.gz PZRFDVSZYSTGAM-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC[C@@H](C)F)C1 ZINC001479298551 1061373557 /nfs/dbraw/zinc/37/35/57/1061373557.db2.gz IMRNVKMQEDFPAJ-LVQVYYBASA-N 1 3 313.461 2.093 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001479400713 1061439889 /nfs/dbraw/zinc/43/98/89/1061439889.db2.gz UHASQHRCGZXDGC-SZMVWBNQSA-N 1 3 321.509 2.393 20 0 DEADHO CCCCCCN(C)CC(=O)N[C@H]1CC12CC[NH+](CC)CC2 ZINC001479988848 1062152218 /nfs/dbraw/zinc/15/22/18/1062152218.db2.gz MOVJDDQFXDYZNC-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]C/C=C/Cl ZINC001480461806 1062894554 /nfs/dbraw/zinc/89/45/54/1062894554.db2.gz OUFIFYKFFIIKOI-SBDDDAINSA-N 1 3 301.862 2.098 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCc2ccsc2)CC[N@@H+]1C ZINC001480463817 1062898907 /nfs/dbraw/zinc/89/89/07/1062898907.db2.gz IPJBFCVWQKOHIZ-VHDGCEQUSA-N 1 3 309.479 2.073 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCc2ccsc2)CC[N@H+]1C ZINC001480463817 1062898918 /nfs/dbraw/zinc/89/89/18/1062898918.db2.gz IPJBFCVWQKOHIZ-VHDGCEQUSA-N 1 3 309.479 2.073 20 0 DEADHO Cc1ccc(F)c(CN[C@@H](C)CNC(=O)CCC[NH+](C)C)c1 ZINC001480527187 1062985479 /nfs/dbraw/zinc/98/54/79/1062985479.db2.gz PAARYYHZVTYBHW-AWEZNQCLSA-N 1 3 309.429 2.070 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCc2ccccc2)C[C@@H]1C ZINC001507338928 1063117382 /nfs/dbraw/zinc/11/73/82/1063117382.db2.gz LMEDJEKZTRLTMD-FUHWJXTLSA-N 1 3 317.477 2.148 20 0 DEADHO CC[C@H](F)CN1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001507350131 1063137784 /nfs/dbraw/zinc/13/77/84/1063137784.db2.gz ZUYMTEHGQRPJHB-YQQAZPJKSA-N 1 3 313.461 2.190 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001480675586 1063174193 /nfs/dbraw/zinc/17/41/93/1063174193.db2.gz HSRZESNLARZKPS-CQSZACIVSA-N 1 3 309.479 2.028 20 0 DEADHO CC[C@H](F)CN1CC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001493269729 1063681475 /nfs/dbraw/zinc/68/14/75/1063681475.db2.gz YTFHKRYCOJQECD-CVEARBPZSA-N 1 3 313.461 2.049 20 0 DEADHO CN(C)C1(C(=O)NC[C@@H]([NH2+]CCCF)c2ccccc2)CCC1 ZINC001493889989 1064012224 /nfs/dbraw/zinc/01/22/24/1064012224.db2.gz WAOXGLBKEZATSK-MRXNPFEDSA-N 1 3 321.440 2.277 20 0 DEADHO CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCc1cncs1 ZINC001495033168 1064653012 /nfs/dbraw/zinc/65/30/12/1064653012.db2.gz AWXASWGUHMQQKW-CYBMUJFWSA-N 1 3 324.494 2.002 20 0 DEADHO CCN1CCN(c2ccc(NC(=O)C[NH2+]C(C)(C)C)cc2)CC1 ZINC000015377267 1078132777 /nfs/dbraw/zinc/13/27/77/1078132777.db2.gz HNNNUBVTMQCCLR-UHFFFAOYSA-N 1 3 318.465 2.155 20 0 DEADHO CCC[NH2+]Cc1ccc(CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001495495820 1064945263 /nfs/dbraw/zinc/94/52/63/1064945263.db2.gz TWGIHSYQWJWOBT-OAHLLOKOSA-N 1 3 303.450 2.144 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C)cc1 ZINC001495588920 1064994241 /nfs/dbraw/zinc/99/42/41/1064994241.db2.gz BFJGYTZEBLUBSU-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO C[C@H](CC[NH2+]Cc1ccccc1)NC(=O)CN(C)C1CCC1 ZINC001568641500 1065015936 /nfs/dbraw/zinc/01/59/36/1065015936.db2.gz XEGNARHJAKSTTI-OAHLLOKOSA-N 1 3 303.450 2.155 20 0 DEADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)C[NH2+]CC1CC1 ZINC001495813405 1065124433 /nfs/dbraw/zinc/12/44/33/1065124433.db2.gz USKYIORYVZBBQR-CQSZACIVSA-N 1 3 303.450 2.114 20 0 DEADHO CC1CCN(CC(=O)NC/C=C\C[NH2+]CC2=CCCCC2)CC1 ZINC001568940342 1065200676 /nfs/dbraw/zinc/20/06/76/1065200676.db2.gz UTHMGJLGQUHNND-WAYWQWQTSA-N 1 3 319.493 2.481 20 0 DEADHO Cc1cc(CNC/C=C/CNC(=O)C[C@H]2CC[N@@H+](C)C2)cs1 ZINC001568952251 1065211243 /nfs/dbraw/zinc/21/12/43/1065211243.db2.gz VWQSZQXZKSUNER-NHZBNJEXSA-N 1 3 321.490 2.160 20 0 DEADHO Cc1cc(CNC/C=C/CNC(=O)C[C@H]2CC[N@H+](C)C2)cs1 ZINC001568952251 1065211253 /nfs/dbraw/zinc/21/12/53/1065211253.db2.gz VWQSZQXZKSUNER-NHZBNJEXSA-N 1 3 321.490 2.160 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC=C(Cl)Cl ZINC001568991884 1065232205 /nfs/dbraw/zinc/23/22/05/1065232205.db2.gz NCDIIPZDXBVYSF-VXGBXAGGSA-N 1 3 322.280 2.273 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC=C(Cl)Cl ZINC001568991884 1065232216 /nfs/dbraw/zinc/23/22/16/1065232216.db2.gz NCDIIPZDXBVYSF-VXGBXAGGSA-N 1 3 322.280 2.273 20 0 DEADHO C[C@H](C[NH2+][C@@H](C)c1ccccc1)N(C)C(=O)Cc1c[nH]cn1 ZINC001496172775 1065321945 /nfs/dbraw/zinc/32/19/45/1065321945.db2.gz YYUDZPLRVQUALO-KGLIPLIRSA-N 1 3 300.406 2.150 20 0 DEADHO Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCCN2C)cc1C ZINC001569189049 1065354814 /nfs/dbraw/zinc/35/48/14/1065354814.db2.gz READNPNEONJFFR-SFHVURJKSA-N 1 3 317.477 2.336 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1[NH2+]CC1CC1 ZINC001496361630 1065427441 /nfs/dbraw/zinc/42/74/41/1065427441.db2.gz WFZDAMXARPWAJX-ZBFHGGJFSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCc1ccccc1F ZINC001496646612 1065615396 /nfs/dbraw/zinc/61/53/96/1065615396.db2.gz ZTNOPDTXBPNLAY-DOTOQJQBSA-N 1 3 321.440 2.008 20 0 DEADHO CC(C)[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1ccccc1F ZINC001496646612 1065615402 /nfs/dbraw/zinc/61/54/02/1065615402.db2.gz ZTNOPDTXBPNLAY-DOTOQJQBSA-N 1 3 321.440 2.008 20 0 DEADHO CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1ccccc1F ZINC001496646613 1065615537 /nfs/dbraw/zinc/61/55/37/1065615537.db2.gz ZTNOPDTXBPNLAY-NVXWUHKLSA-N 1 3 321.440 2.008 20 0 DEADHO CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1ccccc1F ZINC001496646613 1065615543 /nfs/dbraw/zinc/61/55/43/1065615543.db2.gz ZTNOPDTXBPNLAY-NVXWUHKLSA-N 1 3 321.440 2.008 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N(C)CCN(C)Cc2ccccc2)CC[N@@H+]1C ZINC001496770971 1065703329 /nfs/dbraw/zinc/70/33/29/1065703329.db2.gz XDQHNOMXSFQLDN-WMZOPIPTSA-N 1 3 317.477 2.307 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N(C)CCN(C)Cc2ccccc2)CC[N@H+]1C ZINC001496770971 1065703338 /nfs/dbraw/zinc/70/33/38/1065703338.db2.gz XDQHNOMXSFQLDN-WMZOPIPTSA-N 1 3 317.477 2.307 20 0 DEADHO CC[N@H+](C)CCC(=O)N(C)CCN(C)Cc1cccc(C)c1 ZINC001496816748 1065731064 /nfs/dbraw/zinc/73/10/64/1065731064.db2.gz OMCHRIKJOPGWSA-UHFFFAOYSA-N 1 3 305.466 2.227 20 0 DEADHO CC[N@@H+](C)CCC(=O)N(C)CCN(C)Cc1cccc(C)c1 ZINC001496816748 1065731081 /nfs/dbraw/zinc/73/10/81/1065731081.db2.gz OMCHRIKJOPGWSA-UHFFFAOYSA-N 1 3 305.466 2.227 20 0 DEADHO C[C@@H](c1ccccc1)N(C)CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001496817349 1065731191 /nfs/dbraw/zinc/73/11/91/1065731191.db2.gz XFBPBPFXVPRHOD-IRXDYDNUSA-N 1 3 317.477 2.480 20 0 DEADHO C[C@@H](c1ccccc1)N(C)CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001496817349 1065731208 /nfs/dbraw/zinc/73/12/08/1065731208.db2.gz XFBPBPFXVPRHOD-IRXDYDNUSA-N 1 3 317.477 2.480 20 0 DEADHO CCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001569825777 1065747221 /nfs/dbraw/zinc/74/72/21/1065747221.db2.gz IYYRANHGQSFMKP-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CC1=CCN(CCNC(=O)c2ccc(C[NH+]3CCCC3)o2)CC1 ZINC001626623563 1078258843 /nfs/dbraw/zinc/25/88/43/1078258843.db2.gz HURIKFXKVROYLC-UHFFFAOYSA-N 1 3 317.433 2.257 20 0 DEADHO CC1CCN(CC(=O)NC/C=C/C[NH2+]Cc2ccccc2)CC1 ZINC001497713700 1066258729 /nfs/dbraw/zinc/25/87/29/1066258729.db2.gz IJKUTAWXEYBMBP-AATRIKPKSA-N 1 3 315.461 2.181 20 0 DEADHO CC(C)(CNCc1ccc(N2CC[NH2+]CC2)o1)C(F)(F)F ZINC001575334354 1066268500 /nfs/dbraw/zinc/26/85/00/1066268500.db2.gz JVXHVAUTNSAQNF-UHFFFAOYSA-N 1 3 305.344 2.367 20 0 DEADHO C[C@H](NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1)c1cccc(F)c1 ZINC001497750199 1066284746 /nfs/dbraw/zinc/28/47/46/1066284746.db2.gz QXHNTZDPSNGKQI-AIROSISHSA-N 1 3 319.424 2.100 20 0 DEADHO C[C@H](NC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1cccc(F)c1 ZINC001497750199 1066284756 /nfs/dbraw/zinc/28/47/56/1066284756.db2.gz QXHNTZDPSNGKQI-AIROSISHSA-N 1 3 319.424 2.100 20 0 DEADHO CC(C)C[C@H]1C[C@H](NCc2nc3c(s2)C[NH2+]CC3)CCO1 ZINC001575548983 1066345900 /nfs/dbraw/zinc/34/59/00/1066345900.db2.gz BTWQAUHQEYLPQJ-OLZOCXBDSA-N 1 3 309.479 2.472 20 0 DEADHO Cc1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001498314466 1066627765 /nfs/dbraw/zinc/62/77/65/1066627765.db2.gz TZCZDKLHNWHDLW-MRXNPFEDSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1cccc(C[N@H+](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001498314466 1066627769 /nfs/dbraw/zinc/62/77/69/1066627769.db2.gz TZCZDKLHNWHDLW-MRXNPFEDSA-N 1 3 317.477 2.416 20 0 DEADHO C[C@@]1(c2ccccc2)CC[C@H](NCc2cn(C3C[NH2+]C3)nn2)C1 ZINC001576559612 1066635187 /nfs/dbraw/zinc/63/51/87/1066635187.db2.gz CKYQAHGXGNYNLQ-MAUKXSAKSA-N 1 3 311.433 2.022 20 0 DEADHO C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C[NH2+]CC(C)(C)N ZINC001576893598 1066713257 /nfs/dbraw/zinc/71/32/57/1066713257.db2.gz AEAKPSFFDJBJBK-NEPJUHHUSA-N 1 3 315.458 2.074 20 0 DEADHO CC[C@H](C)C[C@H](N)C(=O)Nc1ccc(C[NH+](C)C)cc1OC ZINC001576980710 1066737002 /nfs/dbraw/zinc/73/70/02/1066737002.db2.gz GRDIWJDCSVZHSD-JSGCOSHPSA-N 1 3 307.438 2.459 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH2+]CCCN(C)C(=O)Cc1c[nH]cn1 ZINC001498619264 1066807368 /nfs/dbraw/zinc/80/73/68/1066807368.db2.gz QIXHYDOBHPXQPT-OAHLLOKOSA-N 1 3 314.433 2.460 20 0 DEADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(CCc1ccccc1)CCN(C)C ZINC001577303662 1066810911 /nfs/dbraw/zinc/81/09/11/1066810911.db2.gz FDVIJCAIYQALTL-ZWKOTPCHSA-N 1 3 317.477 2.007 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC001577458056 1066848294 /nfs/dbraw/zinc/84/82/94/1066848294.db2.gz QXTGEQISJAKQCQ-HRCADAONSA-N 1 3 310.486 2.033 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC001577458056 1066848298 /nfs/dbraw/zinc/84/82/98/1066848298.db2.gz QXTGEQISJAKQCQ-HRCADAONSA-N 1 3 310.486 2.033 20 0 DEADHO CC[N@@H+]1CCCN(C(=O)C[C@@H]2NCc3ccccc32)[C@@H](C)C1 ZINC001577773327 1066924160 /nfs/dbraw/zinc/92/41/60/1066924160.db2.gz BOXKYVFPDLMMKB-YOEHRIQHSA-N 1 3 301.434 2.164 20 0 DEADHO CC[N@H+]1CCCN(C(=O)C[C@@H]2NCc3ccccc32)[C@@H](C)C1 ZINC001577773327 1066924166 /nfs/dbraw/zinc/92/41/66/1066924166.db2.gz BOXKYVFPDLMMKB-YOEHRIQHSA-N 1 3 301.434 2.164 20 0 DEADHO CC[C@@H](N)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC001578221609 1067022343 /nfs/dbraw/zinc/02/23/43/1067022343.db2.gz GNJCUQAICPMNAP-DZGCQCFKSA-N 1 3 309.479 2.074 20 0 DEADHO CC[C@@H](N)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC001578221609 1067022358 /nfs/dbraw/zinc/02/23/58/1067022358.db2.gz GNJCUQAICPMNAP-DZGCQCFKSA-N 1 3 309.479 2.074 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C[C@@H](N)c3ccccc3)C[C@@H]2C1 ZINC001578410960 1067088970 /nfs/dbraw/zinc/08/89/70/1067088970.db2.gz NRIZCBCYTBNNFI-XMTFNYHQSA-N 1 3 315.461 2.265 20 0 DEADHO CN(C)CCN(Cc1ccsc1)C(=O)[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001578418268 1067091478 /nfs/dbraw/zinc/09/14/78/1067091478.db2.gz BYAWTWGYRRVTSL-DOTOQJQBSA-N 1 3 321.490 2.171 20 0 DEADHO CN(CCC[NH+]1CCCC1)C(=O)C[C@H]1NCc2ccccc21 ZINC001578468103 1067111971 /nfs/dbraw/zinc/11/19/71/1067111971.db2.gz FGJVRGFQVPNEAG-QGZVFWFLSA-N 1 3 301.434 2.165 20 0 DEADHO C[C@@H]([NH2+]C1(CNC(=O)CN(C)C2CCC2)CC1)c1ccccc1 ZINC001499251180 1067156583 /nfs/dbraw/zinc/15/65/83/1067156583.db2.gz YSKSIWCPMORFQV-OAHLLOKOSA-N 1 3 315.461 2.470 20 0 DEADHO COC(=O)[C@@H]1CN(C[C@@H](C)CC2CCCCC2)CC12C[NH2+]C2 ZINC001578797395 1067173010 /nfs/dbraw/zinc/17/30/10/1067173010.db2.gz PBYHNNINLZTBAK-HOCLYGCPSA-N 1 3 308.466 2.287 20 0 DEADHO COC(=O)[C@H]1CN(C[C@@H](C)CC2CCCCC2)CC12C[NH2+]C2 ZINC001578797394 1067173482 /nfs/dbraw/zinc/17/34/82/1067173482.db2.gz PBYHNNINLZTBAK-GOEBONIOSA-N 1 3 308.466 2.287 20 0 DEADHO CC[C@H](C(=O)N(C)CC[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001266988140 1078483468 /nfs/dbraw/zinc/48/34/68/1078483468.db2.gz FEMVICLPVMRPAA-GFCCVEGCSA-N 1 3 317.886 2.290 20 0 DEADHO COC(=O)c1cccc(CN2CCC3(CCC[C@H]3C[NH3+])CC2)n1 ZINC001578874418 1067187419 /nfs/dbraw/zinc/18/74/19/1067187419.db2.gz ACYRZBVMFMLDPS-AWEZNQCLSA-N 1 3 317.433 2.209 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2F)C1)N(C)C ZINC001368610197 1148525360 /nfs/dbraw/zinc/52/53/60/1148525360.db2.gz SXXRANVNJOMGHH-FRFSOERESA-N 1 3 321.440 2.150 20 0 DEADHO COCC[N@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@@H]1CC[C@@H](C)C1 ZINC001579032648 1067223990 /nfs/dbraw/zinc/22/39/90/1067223990.db2.gz CFKJDAUHRABKAF-YSHGAJCASA-N 1 3 320.477 2.054 20 0 DEADHO COCC[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@@H]1CC[C@@H](C)C1 ZINC001579032648 1067223996 /nfs/dbraw/zinc/22/39/96/1067223996.db2.gz CFKJDAUHRABKAF-YSHGAJCASA-N 1 3 320.477 2.054 20 0 DEADHO COc1ccc([C@H](NC[C@@H](O)CC[NH3+])c2ccc(F)cc2)cc1 ZINC001579200201 1067256649 /nfs/dbraw/zinc/25/66/49/1067256649.db2.gz RNTZXVSTEAPDBH-FUHWJXTLSA-N 1 3 318.392 2.223 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCF ZINC001483392684 1078503670 /nfs/dbraw/zinc/50/36/70/1078503670.db2.gz CDIMLNAAQMRWPE-LSDHHAIUSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCF ZINC001483392684 1078503673 /nfs/dbraw/zinc/50/36/73/1078503673.db2.gz CDIMLNAAQMRWPE-LSDHHAIUSA-N 1 3 301.450 2.045 20 0 DEADHO CSc1ccc(CCNCc2cc(C3C[NH2+]C3)no2)cc1 ZINC001579388631 1067324218 /nfs/dbraw/zinc/32/42/18/1067324218.db2.gz YVXAEZPCQXRZLE-UHFFFAOYSA-N 1 3 303.431 2.416 20 0 DEADHO C[C@@H](NC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC001579410077 1067331770 /nfs/dbraw/zinc/33/17/70/1067331770.db2.gz BGFKSFAYXIGXNL-NJAFHUGGSA-N 1 3 315.461 2.185 20 0 DEADHO [NH3+]C1(CCNC[C@@]2(c3ccccc3)CCCO2)CCOCC1 ZINC001580145189 1067508857 /nfs/dbraw/zinc/50/88/57/1067508857.db2.gz SELJYSSKRBPJHN-GOSISDBHSA-N 1 3 304.434 2.180 20 0 DEADHO CN(CCC[NH2+]Cc1ccccc1F)C(=O)CN(C)C1CCC1 ZINC001483469909 1078552677 /nfs/dbraw/zinc/55/26/77/1078552677.db2.gz CVXYQBOJSQXFCV-UHFFFAOYSA-N 1 3 321.440 2.248 20 0 DEADHO Cc1cc(C[NH2+]CCCN(C)C(=O)CN(C)C2CCC2)cs1 ZINC001483470386 1078553697 /nfs/dbraw/zinc/55/36/97/1078553697.db2.gz OYYFCGLOLROUBH-UHFFFAOYSA-N 1 3 323.506 2.479 20 0 DEADHO CN(C)C1(C(=O)NC2CC(C[NH2+]CC3=CCCCC3)C2)CCC1 ZINC001570563977 1068006528 /nfs/dbraw/zinc/00/65/28/1068006528.db2.gz IEWWEFNLQRRRHU-UHFFFAOYSA-N 1 3 319.493 2.456 20 0 DEADHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)[C@@H](C)[NH2+]CCCF ZINC001570653710 1068055707 /nfs/dbraw/zinc/05/57/07/1068055707.db2.gz VDLMKAVUVMJGKL-ZIAGYGMSSA-N 1 3 309.429 2.204 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CCCC3CCC3)C2)C1 ZINC001571157363 1068187774 /nfs/dbraw/zinc/18/77/74/1068187774.db2.gz NMOAXQUMUCDRPH-KBAYOESNSA-N 1 3 321.509 2.393 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001571198037 1068192016 /nfs/dbraw/zinc/19/20/16/1068192016.db2.gz UVQYFFZFGMJNPE-LTCXZVPISA-N 1 3 313.873 2.096 20 0 DEADHO CC(C)CN1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001483667742 1078764902 /nfs/dbraw/zinc/76/49/02/1078764902.db2.gz ONTOMSAFWVKJKW-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)CN1CC[C@H]1CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001483681452 1078783206 /nfs/dbraw/zinc/78/32/06/1078783206.db2.gz LRMDIQDNBWJXNS-WMLDXEAASA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)CN1CC[C@H]1CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001483681452 1078783214 /nfs/dbraw/zinc/78/32/14/1078783214.db2.gz LRMDIQDNBWJXNS-WMLDXEAASA-N 1 3 313.461 2.045 20 0 DEADHO CCC[C@@H](C)CN1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001272429774 1078869221 /nfs/dbraw/zinc/86/92/21/1078869221.db2.gz FZGIAUOAKFQCJO-SJLPKXTDSA-N 1 3 309.498 2.441 20 0 DEADHO CN(C)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCC(C)(C)C ZINC001272495142 1078924809 /nfs/dbraw/zinc/92/48/09/1078924809.db2.gz HNOVSSWOLILYHN-SFHVURJKSA-N 1 3 309.498 2.441 20 0 DEADHO CN(C)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CCC(C)(C)C ZINC001272495142 1078924829 /nfs/dbraw/zinc/92/48/29/1078924829.db2.gz HNOVSSWOLILYHN-SFHVURJKSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)N(C)CCN3CCCCC3)C[N@@H+]2C1 ZINC001548726721 1072845821 /nfs/dbraw/zinc/84/58/21/1072845821.db2.gz ZXFFMNLQGLZUOF-BRWVUGGUSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)N(C)CCN3CCCCC3)C[N@H+]2C1 ZINC001548726721 1072845831 /nfs/dbraw/zinc/84/58/31/1072845831.db2.gz ZXFFMNLQGLZUOF-BRWVUGGUSA-N 1 3 307.482 2.051 20 0 DEADHO Cc1cccc(CN2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@H]3C)C2)c1 ZINC001549882281 1073312100 /nfs/dbraw/zinc/31/21/00/1073312100.db2.gz TXSDSHHPHDOKAE-SZMVWBNQSA-N 1 3 315.461 2.026 20 0 DEADHO Cc1cccc(CN2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@H]3C)C2)c1 ZINC001549882281 1073312102 /nfs/dbraw/zinc/31/21/02/1073312102.db2.gz TXSDSHHPHDOKAE-SZMVWBNQSA-N 1 3 315.461 2.026 20 0 DEADHO C[C@H](COc1ccccc1F)NC1CC[NH+](CC(C)(C)O)CC1 ZINC001646119927 1079108895 /nfs/dbraw/zinc/10/88/95/1079108895.db2.gz GNMOTGJKXJVOAU-CQSZACIVSA-N 1 3 324.440 2.418 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CCC(F)(F)F)CC1 ZINC001483793323 1079124312 /nfs/dbraw/zinc/12/43/12/1079124312.db2.gz AZHJJILQKMZBFV-RYUDHWBXSA-N 1 3 321.387 2.050 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](N[C@H](C)c3c[nH]nc3C)[C@@H](O)C2)[C@H]1C(C)C ZINC001550356481 1073613336 /nfs/dbraw/zinc/61/33/36/1073613336.db2.gz WCYQVHSUBQBETQ-CUWKQTPXSA-N 1 3 320.481 2.239 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](N[C@H](C)c3c[nH]nc3C)[C@@H](O)C2)[C@H]1C(C)C ZINC001550356481 1073613340 /nfs/dbraw/zinc/61/33/40/1073613340.db2.gz WCYQVHSUBQBETQ-CUWKQTPXSA-N 1 3 320.481 2.239 20 0 DEADHO C[N@@H+]1C[C@H](CN[C@@H]2CO[C@H](C3CC3)C2)[C@@H](c2ccccc2)C1 ZINC001550511979 1073683910 /nfs/dbraw/zinc/68/39/10/1073683910.db2.gz OPQWFNOCJLMCSI-OKYOBFRVSA-N 1 3 300.446 2.489 20 0 DEADHO C[N@H+]1C[C@H](CN[C@@H]2CO[C@H](C3CC3)C2)[C@@H](c2ccccc2)C1 ZINC001550511979 1073683912 /nfs/dbraw/zinc/68/39/12/1073683912.db2.gz OPQWFNOCJLMCSI-OKYOBFRVSA-N 1 3 300.446 2.489 20 0 DEADHO Cc1cc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@@H]2O)cnc1F ZINC001550667974 1073787000 /nfs/dbraw/zinc/78/70/00/1073787000.db2.gz VGJIGKKAKHQVEO-CVYDXHPNSA-N 1 3 321.440 2.098 20 0 DEADHO Cc1cc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@@H]2O)cnc1F ZINC001550667974 1073787004 /nfs/dbraw/zinc/78/70/04/1073787004.db2.gz VGJIGKKAKHQVEO-CVYDXHPNSA-N 1 3 321.440 2.098 20 0 DEADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3conc3C3CC3)C2)C1 ZINC001550704396 1073816772 /nfs/dbraw/zinc/81/67/72/1073816772.db2.gz YUMBQQSWWHYJJR-NUEKZKHPSA-N 1 3 305.422 2.270 20 0 DEADHO C[C@@H]1C[C@@H](NC/C(Cl)=C/Cl)CCN1C(=O)CC[NH+](C)C ZINC001483909265 1079190774 /nfs/dbraw/zinc/19/07/74/1079190774.db2.gz RBQGXRGOZABYLD-RGXVFGMQSA-N 1 3 322.280 2.226 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H]2CCCC[NH2+]C2)C1 ZINC001552387016 1074562594 /nfs/dbraw/zinc/56/25/94/1074562594.db2.gz LMEHVENSQUISMC-BPQIPLTHSA-N 1 3 315.461 2.328 20 0 DEADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@H]1CCCC[NH2+]C1 ZINC001552413774 1074571518 /nfs/dbraw/zinc/57/15/18/1074571518.db2.gz BCUNSPCIZUDEBD-GJZGRUSLSA-N 1 3 321.490 2.391 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@H]2CCCC[NH2+]C2)N(C)C)cc1 ZINC001552413829 1074571971 /nfs/dbraw/zinc/57/19/71/1074571971.db2.gz SVDJPXWNXZOUBU-ROUUACIJSA-N 1 3 317.477 2.358 20 0 DEADHO CN(C)C[C@@H](NC(=O)[C@H]1CCCC[NH2+]C1)c1ccc(Cl)cc1 ZINC001552427715 1074575174 /nfs/dbraw/zinc/57/51/74/1074575174.db2.gz RHASPTDFROVALZ-GOEBONIOSA-N 1 3 323.868 2.449 20 0 DEADHO CCn1cc([C@@H]2OCC[C@@H]2C[N@@H+]2CCC[C@H](N(C)C)CC2)cn1 ZINC001552534867 1074603641 /nfs/dbraw/zinc/60/36/41/1074603641.db2.gz WETYOAIFRATARW-BPQIPLTHSA-N 1 3 320.481 2.397 20 0 DEADHO CCn1cc([C@@H]2OCC[C@@H]2C[N@H+]2CCC[C@H](N(C)C)CC2)cn1 ZINC001552534867 1074603645 /nfs/dbraw/zinc/60/36/45/1074603645.db2.gz WETYOAIFRATARW-BPQIPLTHSA-N 1 3 320.481 2.397 20 0 DEADHO CCn1cc([C@@H]2OCC[C@@H]2CN2CCC[C@H]([NH+](C)C)CC2)cn1 ZINC001552534867 1074603647 /nfs/dbraw/zinc/60/36/47/1074603647.db2.gz WETYOAIFRATARW-BPQIPLTHSA-N 1 3 320.481 2.397 20 0 DEADHO CC(C)c1nnc2n1C[C@H](N[C@@H]1[C@H]3CCC[NH2+][C@H]3C1(C)C)CC2 ZINC001553023912 1074738733 /nfs/dbraw/zinc/73/87/33/1074738733.db2.gz SWVPAYAXMLBMDP-OCVGTWLNSA-N 1 3 317.481 2.083 20 0 DEADHO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H]1[C@H]3CCCN[C@H]3C1(C)C)CC2 ZINC001553023912 1074738743 /nfs/dbraw/zinc/73/87/43/1074738743.db2.gz SWVPAYAXMLBMDP-OCVGTWLNSA-N 1 3 317.481 2.083 20 0 DEADHO CCCN1CCCC[C@@H]1C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC001647245975 1074856144 /nfs/dbraw/zinc/85/61/44/1074856144.db2.gz KUJCJIOYXVQWAB-NVXWUHKLSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1ccc2c(c1)CNC2 ZINC001647382983 1074905259 /nfs/dbraw/zinc/90/52/59/1074905259.db2.gz GFRYRMLLQVDVLV-AWEZNQCLSA-N 1 3 322.412 2.036 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCCN(C)CCC(F)(F)F ZINC001566453228 1075249071 /nfs/dbraw/zinc/24/90/71/1075249071.db2.gz GSSAVHFGPUFSCG-CYBMUJFWSA-N 1 3 323.403 2.250 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCCN(C)CCC(F)(F)F ZINC001566453228 1075249072 /nfs/dbraw/zinc/24/90/72/1075249072.db2.gz GSSAVHFGPUFSCG-CYBMUJFWSA-N 1 3 323.403 2.250 20 0 DEADHO CC(C)=CCN1CC(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001267695014 1079384626 /nfs/dbraw/zinc/38/46/26/1079384626.db2.gz XFEMMLCEVZPPDI-INIZCTEOSA-N 1 3 307.482 2.265 20 0 DEADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001369298309 1148894615 /nfs/dbraw/zinc/89/46/15/1148894615.db2.gz UBPMZDYEQNLQJM-KGLIPLIRSA-N 1 3 319.440 2.200 20 0 DEADHO [NH3+]CCc1ccc(CNCc2cc(-c3ccccn3)n[nH]2)cc1 ZINC001580314728 1075900369 /nfs/dbraw/zinc/90/03/69/1075900369.db2.gz ZWMGXNVJLIHWKY-UHFFFAOYSA-N 1 3 307.401 2.263 20 0 DEADHO O=C(C[C@H]1NCc2ccccc21)NCC12CCC[NH+](CCC1)C2 ZINC001580522134 1075942737 /nfs/dbraw/zinc/94/27/37/1075942737.db2.gz DLXIFMPMIASWID-QGZVFWFLSA-N 1 3 313.445 2.213 20 0 DEADHO C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589977906 1076542259 /nfs/dbraw/zinc/54/22/59/1076542259.db2.gz AMHDQEZWWXLSTG-HUBLWGQQSA-N 1 3 300.410 2.035 20 0 DEADHO C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589977906 1076542260 /nfs/dbraw/zinc/54/22/60/1076542260.db2.gz AMHDQEZWWXLSTG-HUBLWGQQSA-N 1 3 300.410 2.035 20 0 DEADHO C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589977907 1076542540 /nfs/dbraw/zinc/54/25/40/1076542540.db2.gz AMHDQEZWWXLSTG-LALPHHSUSA-N 1 3 300.410 2.035 20 0 DEADHO C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589977907 1076542543 /nfs/dbraw/zinc/54/25/43/1076542543.db2.gz AMHDQEZWWXLSTG-LALPHHSUSA-N 1 3 300.410 2.035 20 0 DEADHO CC(C)N1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC001650359991 1079559923 /nfs/dbraw/zinc/55/99/23/1079559923.db2.gz HEMLKPNKYSRQLC-IKGGRYGDSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2)N1CCCCC1 ZINC001650396568 1079587750 /nfs/dbraw/zinc/58/77/50/1079587750.db2.gz CIDGCMCEBOMMDA-JFIYKMOQSA-N 1 3 307.482 2.145 20 0 DEADHO CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001484572288 1079666292 /nfs/dbraw/zinc/66/62/92/1079666292.db2.gz WOYQPBFYZBBRMR-ULQDDVLXSA-N 1 3 309.498 2.393 20 0 DEADHO CC[C@H](C(=O)N(C)CC[NH2+]CC[C@H]1CCCC1(F)F)N(C)C ZINC001481304655 1079695211 /nfs/dbraw/zinc/69/52/11/1079695211.db2.gz YAZZGCINGCIRFO-ZIAGYGMSSA-N 1 3 319.440 2.200 20 0 DEADHO C[NH+]1CCC(C(=O)NCC2(NCc3ccsc3)CCC2)CC1 ZINC001484650017 1079708336 /nfs/dbraw/zinc/70/83/36/1079708336.db2.gz UHEOEGRGFPTUDW-UHFFFAOYSA-N 1 3 321.490 2.218 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCCC2CCC2)C[C@@H]1C ZINC001284024950 1079711511 /nfs/dbraw/zinc/71/15/11/1079711511.db2.gz GAVHPIUPMAXZIA-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC2CCCCC2)[C@@H](C)C1 ZINC001484904934 1079852905 /nfs/dbraw/zinc/85/29/05/1079852905.db2.gz LSNSXBYBPJDQPV-RDJZCZTQSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCCC2CCC2)[C@@H](C)C1 ZINC001484904490 1079853251 /nfs/dbraw/zinc/85/32/51/1079853251.db2.gz KFOLKZAMVHOECV-RDJZCZTQSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001485039752 1079933342 /nfs/dbraw/zinc/93/33/42/1079933342.db2.gz ZXTJPLXXCAHSAE-KKUMJFAQSA-N 1 3 301.450 2.045 20 0 DEADHO CCCCCCN1CC[C@@H]1CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001656103149 1080044399 /nfs/dbraw/zinc/04/43/99/1080044399.db2.gz XPMBNFNVQBISDQ-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CCCCCCN1CC[C@@H]1CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001656103149 1080044406 /nfs/dbraw/zinc/04/44/06/1080044406.db2.gz XPMBNFNVQBISDQ-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@H](NCc1ccccc1F)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001485185514 1080045632 /nfs/dbraw/zinc/04/56/32/1080045632.db2.gz GCEYWJRPTYHPBO-KBPBESRZSA-N 1 3 321.440 2.150 20 0 DEADHO CCC/C=C\CCN1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001481676261 1080288287 /nfs/dbraw/zinc/28/82/87/1080288287.db2.gz BTLJGKKOQJZWQV-SLXDBMQSSA-N 1 3 319.493 2.360 20 0 DEADHO CCCCCC[N@@H+]1CCCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001485664579 1080353535 /nfs/dbraw/zinc/35/35/35/1080353535.db2.gz YSLJVKRIISRWGG-UHFFFAOYSA-N 1 3 318.465 2.457 20 0 DEADHO CCCCCC[N@H+]1CCCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001485664579 1080353538 /nfs/dbraw/zinc/35/35/38/1080353538.db2.gz YSLJVKRIISRWGG-UHFFFAOYSA-N 1 3 318.465 2.457 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001485707123 1080372917 /nfs/dbraw/zinc/37/29/17/1080372917.db2.gz SWGATNHHNKLSHH-FPCVCCKLSA-N 1 3 313.461 2.093 20 0 DEADHO CN(C(=O)C(C)(C)N1CCCCC1)[C@@H](C[NH2+]CCF)C1CC1 ZINC001485812154 1080469706 /nfs/dbraw/zinc/46/97/06/1080469706.db2.gz UQGYFTHBSAFQGY-HNNXBMFYSA-N 1 3 313.461 2.047 20 0 DEADHO CN(CC(=O)N(C)[C@H](C[NH2+]C/C=C\Cl)C1CC1)C1CCC1 ZINC001485813604 1080485263 /nfs/dbraw/zinc/48/52/63/1080485263.db2.gz LHCDZYKWYMSOCB-KHSJVXASSA-N 1 3 313.873 2.050 20 0 DEADHO CC[C@H](CNC(=O)CC[NH+]1CCCCC1)NCc1cncs1 ZINC001481882848 1080572277 /nfs/dbraw/zinc/57/22/77/1080572277.db2.gz USDLXBPORHSWNR-CQSZACIVSA-N 1 3 324.494 2.004 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]CCc2ccccc2)C1)N(C)C ZINC001662650621 1080628112 /nfs/dbraw/zinc/62/81/12/1080628112.db2.gz SPISAYCGKLGTSM-QZTJIDSGSA-N 1 3 317.477 2.007 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001482113303 1080814248 /nfs/dbraw/zinc/81/42/48/1080814248.db2.gz LFTXEIHYAMEXHM-NVXWUHKLSA-N 1 3 305.466 2.177 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001664740708 1080952637 /nfs/dbraw/zinc/95/26/37/1080952637.db2.gz JKDJYMLIWIDMCT-IRXDYDNUSA-N 1 3 307.482 2.123 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001664740708 1080952645 /nfs/dbraw/zinc/95/26/45/1080952645.db2.gz JKDJYMLIWIDMCT-IRXDYDNUSA-N 1 3 307.482 2.123 20 0 DEADHO CC[C@H](C(=O)NC1(C[NH2+]C/C=C\Cl)CCCC1)N(C)C ZINC001665928905 1081097967 /nfs/dbraw/zinc/09/79/67/1081097967.db2.gz TUBQDXCQXIDWCN-PGJNLMOESA-N 1 3 301.862 2.098 20 0 DEADHO C[C@@H]([NH2+]CCCF)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001667332652 1081239284 /nfs/dbraw/zinc/23/92/84/1081239284.db2.gz OVAKHMUYJWNJQX-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO CN(CC(=O)N1CCC2(C[NH+](CC3CC3)C2)CC1)CC(C)(C)C ZINC001482244795 1081374966 /nfs/dbraw/zinc/37/49/66/1081374966.db2.gz HTSCCKVVDQYAJJ-UHFFFAOYSA-N 1 3 321.509 2.299 20 0 DEADHO CC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC001412830211 1081426860 /nfs/dbraw/zinc/42/68/60/1081426860.db2.gz XWGRMDLNCVDJHR-GOSISDBHSA-N 1 3 315.461 2.449 20 0 DEADHO CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC001412830211 1081426862 /nfs/dbraw/zinc/42/68/62/1081426862.db2.gz XWGRMDLNCVDJHR-GOSISDBHSA-N 1 3 315.461 2.449 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCC1)N(C)C ZINC001270164909 1081464214 /nfs/dbraw/zinc/46/42/14/1081464214.db2.gz GJFDKHYZCCFRPJ-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC1CCN(CC(=O)N(C)CCC[NH2+]CCC(F)(F)F)CC1 ZINC001670291258 1081508218 /nfs/dbraw/zinc/50/82/18/1081508218.db2.gz FUYSZNOVKHYNNK-UHFFFAOYSA-N 1 3 323.403 2.109 20 0 DEADHO CCc1ccc(C[NH2+]CCCN(C)C(=O)CN2CCCC2)cc1 ZINC001670345745 1081511923 /nfs/dbraw/zinc/51/19/23/1081511923.db2.gz YCFPBZZKTWPJEJ-UHFFFAOYSA-N 1 3 317.477 2.283 20 0 DEADHO C[C@@H](CNCc1ccccc1F)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482284231 1081514014 /nfs/dbraw/zinc/51/40/14/1081514014.db2.gz WDMQAMBLKISWMA-SQWLQELKSA-N 1 3 321.440 2.102 20 0 DEADHO C[C@@H](CNCc1ccccc1F)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482284231 1081514017 /nfs/dbraw/zinc/51/40/17/1081514017.db2.gz WDMQAMBLKISWMA-SQWLQELKSA-N 1 3 321.440 2.102 20 0 DEADHO CCCCC[NH2+]CC[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001672863701 1081714125 /nfs/dbraw/zinc/71/41/25/1081714125.db2.gz RIVKRKFQGNVANO-IAGOWNOFSA-N 1 3 309.498 2.347 20 0 DEADHO C[C@H](C[NH2+]CCCC1CCCC1)N(C)C(=O)[C@@H]1CCCN1C ZINC001270915512 1081837783 /nfs/dbraw/zinc/83/77/83/1081837783.db2.gz YIQXXDSMACSIFW-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)NC1CC(C[NH2+]CCc2ccccc2)C1)N(C)C ZINC001674600116 1081893138 /nfs/dbraw/zinc/89/31/38/1081893138.db2.gz YCOHHZJEHIUTJC-ABHNRTSZSA-N 1 3 317.477 2.054 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001266542517 1082136991 /nfs/dbraw/zinc/13/69/91/1082136991.db2.gz YTVBPQHYBMTTOO-QWHCGFSZSA-N 1 3 321.387 2.004 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1)N(C)C ZINC001266632457 1082234038 /nfs/dbraw/zinc/23/40/38/1082234038.db2.gz FQLSDQXABZVRRR-BRWVUGGUSA-N 1 3 307.482 2.454 20 0 DEADHO CC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001266639438 1082240172 /nfs/dbraw/zinc/24/01/72/1082240172.db2.gz ACTFDLQLBKSRPY-WOCSAJFKSA-N 1 3 307.482 2.452 20 0 DEADHO CC(C)=CCN(C)CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001272049375 1082336745 /nfs/dbraw/zinc/33/67/45/1082336745.db2.gz PQMDHEOFOGNVKG-SJORKVTESA-N 1 3 307.482 2.360 20 0 DEADHO CC(C)=CCN(C)CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001272049375 1082336751 /nfs/dbraw/zinc/33/67/51/1082336751.db2.gz PQMDHEOFOGNVKG-SJORKVTESA-N 1 3 307.482 2.360 20 0 DEADHO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@H]1CC[C@@H]2CCCCN12 ZINC001648984703 1082396565 /nfs/dbraw/zinc/39/65/65/1082396565.db2.gz DKLYAVRNTNOJBW-XJKSGUPXSA-N 1 3 317.408 2.427 20 0 DEADHO CCc1ccccc1C[N@H+](C)CCN(C)C(=O)CN1CCCC1 ZINC001482649206 1082432759 /nfs/dbraw/zinc/43/27/59/1082432759.db2.gz IUNCIYNLKIQEBB-UHFFFAOYSA-N 1 3 317.477 2.235 20 0 DEADHO CCc1ccccc1C[N@@H+](C)CCN(C)C(=O)CN1CCCC1 ZINC001482649206 1082432760 /nfs/dbraw/zinc/43/27/60/1082432760.db2.gz IUNCIYNLKIQEBB-UHFFFAOYSA-N 1 3 317.477 2.235 20 0 DEADHO CCCC[NH2+][C@@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001266972185 1082484423 /nfs/dbraw/zinc/48/44/23/1082484423.db2.gz WIVWKVZUCMWSDA-XJKSGUPXSA-N 1 3 301.450 2.093 20 0 DEADHO CCc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCCN2C)cc1 ZINC001482990915 1082611133 /nfs/dbraw/zinc/61/11/33/1082611133.db2.gz JSBICJRYORNKLM-WRFKIARRSA-N 1 3 315.461 2.105 20 0 DEADHO C[C@H](NC/C=C/CNC(=O)CC[NH+](C)C)c1ccc(F)cc1 ZINC001483053626 1082665483 /nfs/dbraw/zinc/66/54/83/1082665483.db2.gz GKSILKBCRAPRKJ-NNTXTVRGSA-N 1 3 307.413 2.100 20 0 DEADHO CC[C@H](C(=O)NC1CC(C[NH2+]Cc2csc(C)c2)C1)N(C)C ZINC001409299889 1082750876 /nfs/dbraw/zinc/75/08/76/1082750876.db2.gz WLALCCWOUIOYSB-AVVWSFFYSA-N 1 3 323.506 2.381 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@H](C)[NH2+]CCc1cccs1 ZINC001409478475 1082910911 /nfs/dbraw/zinc/91/09/11/1082910911.db2.gz WYOCBNYLKCZRCN-NWDGAFQWSA-N 1 3 320.462 2.048 20 0 DEADHO C[C@@H]([NH2+]C[C@H](C)NC(=O)CN(C)C1CCC1)c1ccccc1 ZINC001483235241 1082927721 /nfs/dbraw/zinc/92/77/21/1082927721.db2.gz GZVFIQNVKZJCCK-LSDHHAIUSA-N 1 3 303.450 2.326 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[N@H+](C)CCc1ccccc1 ZINC001409616599 1082987954 /nfs/dbraw/zinc/98/79/54/1082987954.db2.gz KUVDEIQZRGBBMQ-IRXDYDNUSA-N 1 3 317.477 2.007 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[N@@H+](C)CCc1ccccc1 ZINC001409616599 1082987955 /nfs/dbraw/zinc/98/79/55/1082987955.db2.gz KUVDEIQZRGBBMQ-IRXDYDNUSA-N 1 3 317.477 2.007 20 0 DEADHO CC(C)[C@@H](CCN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CCC1CC1 ZINC001409771163 1083049559 /nfs/dbraw/zinc/04/95/59/1083049559.db2.gz MCEVNTJHWPLCHE-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO Cc1ccc(CC[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001483262906 1083062672 /nfs/dbraw/zinc/06/26/72/1083062672.db2.gz KOOMGONZPWXPCM-FUHWJXTLSA-N 1 3 319.493 2.218 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1C ZINC001483296356 1083081182 /nfs/dbraw/zinc/08/11/82/1083081182.db2.gz FXDGXQHWDIVJPF-WMZOPIPTSA-N 1 3 317.477 2.464 20 0 DEADHO CN1CCN(CC2(C)CC[NH+](C[C@]3(C)CCCCO3)CC2)CC1 ZINC001413202336 1083432429 /nfs/dbraw/zinc/43/24/29/1083432429.db2.gz SLFMNTBGISVXTO-IBGZPJMESA-N 1 3 323.525 2.295 20 0 DEADHO CC(C)C[NH+]1CCC(C(=O)N(C)CCN2CCCCC2)CC1 ZINC001413228570 1083453925 /nfs/dbraw/zinc/45/39/25/1083453925.db2.gz YLWRUWWSBAUZSH-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)CCC[N@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001276527152 1083480665 /nfs/dbraw/zinc/48/06/65/1083480665.db2.gz HIOUDQPPPSFFLO-CALCHBBNSA-N 1 3 309.498 2.155 20 0 DEADHO CC(C)CCC[N@@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001276527152 1083480669 /nfs/dbraw/zinc/48/06/69/1083480669.db2.gz HIOUDQPPPSFFLO-CALCHBBNSA-N 1 3 309.498 2.155 20 0 DEADHO CN(C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCOC(C)(C)C1 ZINC001276671706 1083541875 /nfs/dbraw/zinc/54/18/75/1083541875.db2.gz NQLNMSKOLSZXRF-CSNJMZFVSA-N 1 3 323.525 2.338 20 0 DEADHO CN(C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCOC(C)(C)C1 ZINC001276671706 1083541882 /nfs/dbraw/zinc/54/18/82/1083541882.db2.gz NQLNMSKOLSZXRF-CSNJMZFVSA-N 1 3 323.525 2.338 20 0 DEADHO C[NH2+][C@@]12CC[C@@](NCc3cccc(-n4cncn4)c3)(C1)CCC2 ZINC001276818058 1083628440 /nfs/dbraw/zinc/62/84/40/1083628440.db2.gz QBFOORDCEFKNSB-ZWKOTPCHSA-N 1 3 311.433 2.422 20 0 DEADHO CC(C)=CCN1CC([C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001276388664 1083925612 /nfs/dbraw/zinc/92/56/12/1083925612.db2.gz JTKVQFQINKBLMU-NVXWUHKLSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)=CCN1CC([C@@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001276388664 1083925622 /nfs/dbraw/zinc/92/56/22/1083925622.db2.gz JTKVQFQINKBLMU-NVXWUHKLSA-N 1 3 307.482 2.264 20 0 DEADHO CN1CCN(C(=O)[C@@H]2[NH2+]CC[C@@H]3CCCC[C@H]23)CCC1(C)C ZINC001649044385 1084026233 /nfs/dbraw/zinc/02/62/33/1084026233.db2.gz QCPKSBAGIHIIEQ-HRCADAONSA-N 1 3 307.482 2.097 20 0 DEADHO CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001277940483 1084410073 /nfs/dbraw/zinc/41/00/73/1084410073.db2.gz HRJARPXUTUBRTQ-WMLDXEAASA-N 1 3 313.461 2.190 20 0 DEADHO CN(CCN1CC[NH2+]CC1)Cc1ccccc1N1CCCCC1 ZINC001236082134 1084608230 /nfs/dbraw/zinc/60/82/30/1084608230.db2.gz AABCSIPHGFCPDV-UHFFFAOYSA-N 1 3 316.493 2.014 20 0 DEADHO C[C@@H]1CNCC(F)(F)[C@H]1C[N@@H+]1CCNC[C@H]1c1cccs1 ZINC001236112399 1084614909 /nfs/dbraw/zinc/61/49/09/1084614909.db2.gz OUAFVTZSCCQBBK-AGIUHOORSA-N 1 3 315.433 2.185 20 0 DEADHO C[C@@H]1CNCC(F)(F)[C@H]1C[N@H+]1CCNC[C@H]1c1cccs1 ZINC001236112399 1084614911 /nfs/dbraw/zinc/61/49/11/1084614911.db2.gz OUAFVTZSCCQBBK-AGIUHOORSA-N 1 3 315.433 2.185 20 0 DEADHO CC[NH2+][C@H](CCNC(=O)C1(N(C)C)CCC1)Cc1ccccc1 ZINC001486187967 1085116120 /nfs/dbraw/zinc/11/61/20/1085116120.db2.gz CNOIHJJJSRTXIK-QGZVFWFLSA-N 1 3 317.477 2.198 20 0 DEADHO CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCCN3CC)C2)C1 ZINC000965932862 1085698620 /nfs/dbraw/zinc/69/86/20/1085698620.db2.gz APAPWJHFOPYIBL-LMBQMVEXSA-N 1 3 307.482 2.288 20 0 DEADHO CCCC[NH2+]C[C@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001273004609 1085884287 /nfs/dbraw/zinc/88/42/87/1085884287.db2.gz XTODWOBHPYVIEX-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CC3)C[C@H]21)N1CCCCCC1 ZINC000961958743 1085921587 /nfs/dbraw/zinc/92/15/87/1085921587.db2.gz OOIJJTJEGVGISN-BGTYHANMSA-N 1 3 319.493 2.097 20 0 DEADHO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CC3)C[C@H]21)N1CCCCCC1 ZINC000961958743 1085921596 /nfs/dbraw/zinc/92/15/96/1085921596.db2.gz OOIJJTJEGVGISN-BGTYHANMSA-N 1 3 319.493 2.097 20 0 DEADHO O=C1C[C@@]2(CN1C1CCCC1)CCCCN2CC1CC[NH2+]CC1 ZINC001273028946 1086028356 /nfs/dbraw/zinc/02/83/56/1086028356.db2.gz BMCLFPXVMTWZPQ-LJQANCHMSA-N 1 3 319.493 2.386 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CCC2)C1 ZINC000962809713 1086245292 /nfs/dbraw/zinc/24/52/92/1086245292.db2.gz RKEIKVOTBLOZKD-JCYILVPMSA-N 1 3 307.482 2.145 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+]CCCc1cccc(F)c1 ZINC001168755239 1086495046 /nfs/dbraw/zinc/49/50/46/1086495046.db2.gz JRDJJFJVTVVWSO-UHFFFAOYSA-N 1 3 323.456 2.196 20 0 DEADHO CCc1cccc(C[NH2+]CCCNC(=O)CN(CC)CC)c1 ZINC001168756139 1086515600 /nfs/dbraw/zinc/51/56/00/1086515600.db2.gz VJGKCHFRZHTNAZ-UHFFFAOYSA-N 1 3 305.466 2.187 20 0 DEADHO CC(C)C[NH2+]C1CCC(N(C)C(=O)CN2CCC[C@H]2C)CC1 ZINC000963908300 1086595010 /nfs/dbraw/zinc/59/50/10/1086595010.db2.gz PVQKYOIMSLNCDA-KLAILNCOSA-N 1 3 309.498 2.486 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+]CC1CCC(F)(F)CC1 ZINC001168763314 1087390707 /nfs/dbraw/zinc/39/07/07/1087390707.db2.gz NIWHWUCQYNBZRW-UHFFFAOYSA-N 1 3 319.440 2.250 20 0 DEADHO CC1CCC(CN2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000957328420 1088179493 /nfs/dbraw/zinc/17/94/93/1088179493.db2.gz RJYJGEMSWRZEJG-DAWZGUTISA-N 1 3 321.509 2.299 20 0 DEADHO CC1CCC(CN2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000957328420 1088179502 /nfs/dbraw/zinc/17/95/02/1088179502.db2.gz RJYJGEMSWRZEJG-DAWZGUTISA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC3CCC3)C[C@H]21)N(C)C ZINC001114795262 1088529345 /nfs/dbraw/zinc/52/93/45/1088529345.db2.gz ZCCXQZWWAWMAAL-VSZNYVQBSA-N 1 3 321.509 2.199 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]21)N(C)C ZINC001114795262 1088529351 /nfs/dbraw/zinc/52/93/51/1088529351.db2.gz ZCCXQZWWAWMAAL-VSZNYVQBSA-N 1 3 321.509 2.199 20 0 DEADHO CC(C)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C ZINC001114794398 1088529926 /nfs/dbraw/zinc/52/99/26/1088529926.db2.gz ICQYGQBWSJOVAH-LTIDMASMSA-N 1 3 309.498 2.055 20 0 DEADHO CC(C)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C ZINC001114794398 1088529937 /nfs/dbraw/zinc/52/99/37/1088529937.db2.gz ICQYGQBWSJOVAH-LTIDMASMSA-N 1 3 309.498 2.055 20 0 DEADHO CC(C)=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001080188405 1088667810 /nfs/dbraw/zinc/66/78/10/1088667810.db2.gz GJTCDJCUQBZPHK-NXHRZFHOSA-N 1 3 319.493 2.264 20 0 DEADHO CC(C)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CC(C)(C)C ZINC001114841011 1089029238 /nfs/dbraw/zinc/02/92/38/1089029238.db2.gz QDBGVCBLGFTREQ-VQFNDLOPSA-N 1 3 323.525 2.447 20 0 DEADHO CC(C)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CC(C)(C)C ZINC001114841011 1089029252 /nfs/dbraw/zinc/02/92/52/1089029252.db2.gz QDBGVCBLGFTREQ-VQFNDLOPSA-N 1 3 323.525 2.447 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CCC3)C[C@H]21 ZINC001084389003 1090286932 /nfs/dbraw/zinc/28/69/32/1090286932.db2.gz OFBQPNJMDQNZPJ-FGTMMUONSA-N 1 3 319.493 2.194 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CCC3)C[C@H]21 ZINC001084389003 1090286937 /nfs/dbraw/zinc/28/69/37/1090286937.db2.gz OFBQPNJMDQNZPJ-FGTMMUONSA-N 1 3 319.493 2.194 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CCC3)C[C@H]21 ZINC001084389004 1090287058 /nfs/dbraw/zinc/28/70/58/1090287058.db2.gz OFBQPNJMDQNZPJ-KZNAEPCWSA-N 1 3 319.493 2.194 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CCC3)C[C@H]21 ZINC001084389004 1090287064 /nfs/dbraw/zinc/28/70/64/1090287064.db2.gz OFBQPNJMDQNZPJ-KZNAEPCWSA-N 1 3 319.493 2.194 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001084545414 1090324391 /nfs/dbraw/zinc/32/43/91/1090324391.db2.gz JLAOJPIRCLGVBX-KZNAEPCWSA-N 1 3 319.493 2.194 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001084545414 1090324401 /nfs/dbraw/zinc/32/44/01/1090324401.db2.gz JLAOJPIRCLGVBX-KZNAEPCWSA-N 1 3 319.493 2.194 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001084545413 1090325386 /nfs/dbraw/zinc/32/53/86/1090325386.db2.gz JLAOJPIRCLGVBX-KURKYZTESA-N 1 3 319.493 2.194 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001084545413 1090325391 /nfs/dbraw/zinc/32/53/91/1090325391.db2.gz JLAOJPIRCLGVBX-KURKYZTESA-N 1 3 319.493 2.194 20 0 DEADHO CN(C/C=C\Cl)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001410253496 1090475181 /nfs/dbraw/zinc/47/51/81/1090475181.db2.gz VWQFQQZRKKPCOV-UITAMQMPSA-N 1 3 301.862 2.004 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC2=CCCCC2)[C@@H](C)C1 ZINC001274299619 1091177425 /nfs/dbraw/zinc/17/74/25/1091177425.db2.gz VJQRGITWDHOUDX-RDJZCZTQSA-N 1 3 307.482 2.264 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2cccc(C)c2)C[C@H]1C ZINC001410870808 1091179513 /nfs/dbraw/zinc/17/95/13/1091179513.db2.gz ILQOKIQKWBPOSF-AEFFLSMTSA-N 1 3 317.477 2.416 20 0 DEADHO COC(=O)[C@H](C)C[NH+]1CCC(N(C)Cc2ccccc2)CC1 ZINC000717584621 1091204510 /nfs/dbraw/zinc/20/45/10/1091204510.db2.gz ITZJLAIKIUDFDU-OAHLLOKOSA-N 1 3 304.434 2.392 20 0 DEADHO CN(CC(=O)NC/C=C/C[NH2+]CCC(F)(F)F)CC(C)(C)C ZINC001274371878 1091209176 /nfs/dbraw/zinc/20/91/76/1091209176.db2.gz ZONNGSKIHWIMCR-AATRIKPKSA-N 1 3 323.403 2.179 20 0 DEADHO CN(CCN1CCCCC1)C(=O)c1cccc(CC[NH+](C)C)c1 ZINC001412306989 1091302339 /nfs/dbraw/zinc/30/23/39/1091302339.db2.gz RANSPAPNFCKBPT-UHFFFAOYSA-N 1 3 317.477 2.349 20 0 DEADHO COC(=O)CCC[N@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275158743 1091588569 /nfs/dbraw/zinc/58/85/69/1091588569.db2.gz PLXLOSQTDPNHQZ-IYBDPMFKSA-N 1 3 319.449 2.112 20 0 DEADHO COC(=O)CCC[N@@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275158743 1091588576 /nfs/dbraw/zinc/58/85/76/1091588576.db2.gz PLXLOSQTDPNHQZ-IYBDPMFKSA-N 1 3 319.449 2.112 20 0 DEADHO CCOc1ccccc1CN1CC[C@H]2[C@@H]1CC[N@@H+]2CCN(C)C ZINC001275267152 1091645390 /nfs/dbraw/zinc/64/53/90/1091645390.db2.gz YWOFFPGXOCZNPT-ROUUACIJSA-N 1 3 317.477 2.296 20 0 DEADHO CCOc1ccccc1CN1CC[C@H]2[C@@H]1CC[N@H+]2CCN(C)C ZINC001275267152 1091645394 /nfs/dbraw/zinc/64/53/94/1091645394.db2.gz YWOFFPGXOCZNPT-ROUUACIJSA-N 1 3 317.477 2.296 20 0 DEADHO CCc1ccccc1CN1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001275443754 1091751818 /nfs/dbraw/zinc/75/18/18/1091751818.db2.gz JVYGGLFQTPGPEZ-KDURUIRLSA-N 1 3 301.478 2.459 20 0 DEADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1nc2ccccc2o1 ZINC001275502700 1091812980 /nfs/dbraw/zinc/81/29/80/1091812980.db2.gz HTMAVCGJBFPFHO-HOTGVXAUSA-N 1 3 314.433 2.038 20 0 DEADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1nc2ccccc2o1 ZINC001275502700 1091812984 /nfs/dbraw/zinc/81/29/84/1091812984.db2.gz HTMAVCGJBFPFHO-HOTGVXAUSA-N 1 3 314.433 2.038 20 0 DEADHO C[NH+](C)CCCCC(=O)N[C@H]1CCCN(C/C=C/Cl)CC1 ZINC001273468192 1091862318 /nfs/dbraw/zinc/86/23/18/1091862318.db2.gz XLGVORBMFLKNIY-WGPYJDKQSA-N 1 3 315.889 2.442 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)[C@@H]2CCC[N@H+](CC3CC3)CC2)C1 ZINC000948779867 1091933456 /nfs/dbraw/zinc/93/34/56/1091933456.db2.gz WPCIMBVXKSVXAG-DOTOQJQBSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)[C@@H]2CCC[N@@H+](CC3CC3)CC2)C1 ZINC000948779867 1091933459 /nfs/dbraw/zinc/93/34/59/1091933459.db2.gz WPCIMBVXKSVXAG-DOTOQJQBSA-N 1 3 307.482 2.051 20 0 DEADHO CN(CC(C)(C)C[NH2+]CCF)C(=O)C(C)(C)N1CCCCC1 ZINC001275668313 1091971397 /nfs/dbraw/zinc/97/13/97/1091971397.db2.gz KBDLGQSQKDDBQI-UHFFFAOYSA-N 1 3 315.477 2.295 20 0 DEADHO CC1CCN(CC(=O)N(C)[C@H]2CCC[N@H+](CC3CC3)CC2)CC1 ZINC000948886046 1091980662 /nfs/dbraw/zinc/98/06/62/1091980662.db2.gz HUCVQHLAUPEVQN-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CC1CCN(CC(=O)N(C)[C@H]2CCC[N@@H+](CC3CC3)CC2)CC1 ZINC000948886046 1091980671 /nfs/dbraw/zinc/98/06/71/1091980671.db2.gz HUCVQHLAUPEVQN-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CCN(CC[NH2+]Cc1ccc(F)cc1C)C(=O)CN1CCCC1 ZINC001273753520 1092029175 /nfs/dbraw/zinc/02/91/75/1092029175.db2.gz UHIXHIPKTWXYOD-UHFFFAOYSA-N 1 3 321.440 2.168 20 0 DEADHO CC/C=C\CC[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001488967018 1092855919 /nfs/dbraw/zinc/85/59/19/1092855919.db2.gz ZJLQLKBSDQKOSV-XETQRACLSA-N 1 3 318.465 2.491 20 0 DEADHO CN(CC(=O)NC[C@@H]([NH2+]CC1CCC1)C1CC1)CC(C)(C)C ZINC001490709172 1093476826 /nfs/dbraw/zinc/47/68/26/1093476826.db2.gz GUGAULOVZGCTJQ-MRXNPFEDSA-N 1 3 309.498 2.249 20 0 DEADHO CC(C)[N@@H+]1CC[C@@](C)(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001421222158 1171604159 /nfs/dbraw/zinc/60/41/59/1171604159.db2.gz NFDPJXFKKNGOOS-SJORKVTESA-N 1 3 313.461 2.188 20 0 DEADHO CC(C)[N@H+]1CC[C@@](C)(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001421222158 1171604167 /nfs/dbraw/zinc/60/41/67/1171604167.db2.gz NFDPJXFKKNGOOS-SJORKVTESA-N 1 3 313.461 2.188 20 0 DEADHO CN(C)C[C@H](NC(=O)[C@@H]1C[C@@H]1C1CC[NH2+]CC1)c1ccccc1 ZINC000353429497 1138318322 /nfs/dbraw/zinc/31/83/22/1138318322.db2.gz TZFPDGLUYGMCKH-KURKYZTESA-N 1 3 315.461 2.041 20 0 DEADHO CCOC(=O)[C@@H]1CN(Cc2cc(C)cc(F)c2)CCC12C[NH2+]C2 ZINC001237430779 1138621159 /nfs/dbraw/zinc/62/11/59/1138621159.db2.gz NALBOLKNILWHGQ-INIZCTEOSA-N 1 3 320.408 2.109 20 0 DEADHO COc1cc(CN2CCC3(CC2)CC[NH+](C)CC3)cc(OC)n1 ZINC001237561621 1138683782 /nfs/dbraw/zinc/68/37/82/1138683782.db2.gz XQWDILDUVNEYFZ-UHFFFAOYSA-N 1 3 319.449 2.407 20 0 DEADHO COC(=O)c1cc(-c2cc(N3CC[NH2+]CC3)ccn2)ccc1C ZINC001243605322 1140180343 /nfs/dbraw/zinc/18/03/43/1140180343.db2.gz MSSBXNVHHHPUMN-UHFFFAOYSA-N 1 3 311.385 2.253 20 0 DEADHO CN1CCN(c2cccc(-c3cnc4c(c3)C[NH2+]CC4)c2)CC1 ZINC001243670542 1140215853 /nfs/dbraw/zinc/21/58/53/1140215853.db2.gz NDOPHEWXNJRWGM-UHFFFAOYSA-N 1 3 308.429 2.146 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[NH2+]CCCCC(F)(F)F ZINC001491651494 1140242027 /nfs/dbraw/zinc/24/20/27/1140242027.db2.gz QNQCMSKBRNRBMC-JTQLQIEISA-N 1 3 320.359 2.088 20 0 DEADHO CC[NH+](CC)C1CCN(C(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC001320075360 1140818245 /nfs/dbraw/zinc/81/82/45/1140818245.db2.gz GKSMCYOODYOYBZ-OAHLLOKOSA-N 1 3 322.497 2.153 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@@H]1CNC[C@H](O)COc1ccc(Cl)cc1 ZINC001245980396 1140841478 /nfs/dbraw/zinc/84/14/78/1140841478.db2.gz DFSUYWDBSHAGJG-GUTXKFCHSA-N 1 3 312.841 2.057 20 0 DEADHO CC(C)[C@@H](N)C[NH2+]C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001246001335 1140844192 /nfs/dbraw/zinc/84/41/92/1140844192.db2.gz HMOLZHCJONQVEB-RDJZCZTQSA-N 1 3 308.466 2.297 20 0 DEADHO CCCC[C@@H](CC)COC[C@@H](O)CN1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246045811 1140852792 /nfs/dbraw/zinc/85/27/92/1140852792.db2.gz NAMHWZZGLHKKJR-DFBDCSAJSA-N 1 3 312.498 2.249 20 0 DEADHO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)C(=O)C2)NC1 ZINC001246108793 1140862027 /nfs/dbraw/zinc/86/20/27/1140862027.db2.gz WOSZYPOBVDPRKR-KBAYOESNSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@H]1CN[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001246118425 1140863251 /nfs/dbraw/zinc/86/32/51/1140863251.db2.gz HDYDMYWBBGSDFU-NJAFHUGGSA-N 1 3 315.461 2.013 20 0 DEADHO COc1ccccc1CN1CCC([NH2+][C@H]2CCCNC2)CC1 ZINC001246181367 1140870628 /nfs/dbraw/zinc/87/06/28/1140870628.db2.gz XNOWYCALZTWGHD-KRWDZBQOSA-N 1 3 303.450 2.001 20 0 DEADHO CC(C)(C)[C@@H]1C[C@H](NC[C@H]2Cc3ccccc3CN2)CC[NH2+]1 ZINC001246280530 1140880497 /nfs/dbraw/zinc/88/04/97/1140880497.db2.gz NRQCNQXGODHRDN-KURKYZTESA-N 1 3 301.478 2.457 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC(=O)N(Cc3ccccc3)C2)CCN1 ZINC001246327065 1140884221 /nfs/dbraw/zinc/88/42/21/1140884221.db2.gz HQQZUFXGHJQUGR-NXHRZFHOSA-N 1 3 315.461 2.155 20 0 DEADHO CC(=O)N1CC[C@H](N[C@H](c2ccccc2F)C2CC[NH2+]CC2)C1 ZINC001246400558 1140894077 /nfs/dbraw/zinc/89/40/77/1140894077.db2.gz OTWXAJNKJXSDRC-YJBOKZPZSA-N 1 3 319.424 2.077 20 0 DEADHO COc1cccc(CC2([NH2+]C3CCNCC3)CCOCC2)c1 ZINC001246409591 1140895618 /nfs/dbraw/zinc/89/56/18/1140895618.db2.gz ZZZRAWAZFJKGRD-UHFFFAOYSA-N 1 3 304.434 2.129 20 0 DEADHO O=C(c1ccc(Cl)cc1)N1CCC([N@@H+]2CCCNCC2)CC1 ZINC001246522326 1140931896 /nfs/dbraw/zinc/93/18/96/1140931896.db2.gz CIRLIERLULWSNB-UHFFFAOYSA-N 1 3 321.852 2.240 20 0 DEADHO O=C(c1ccc(Cl)cc1)N1CCC([N@H+]2CCCNCC2)CC1 ZINC001246522326 1140931919 /nfs/dbraw/zinc/93/19/19/1140931919.db2.gz CIRLIERLULWSNB-UHFFFAOYSA-N 1 3 321.852 2.240 20 0 DEADHO C[C@H](CSc1ccc(F)cc1)N1CCCC[C@@](O)(C[NH3+])C1 ZINC001246562575 1140966369 /nfs/dbraw/zinc/96/63/69/1140966369.db2.gz UJVPXWXISDPKDW-CZUORRHYSA-N 1 3 312.454 2.482 20 0 DEADHO C[C@H](CSc1ccc(F)cc1)[N@@H+]1CCCC[C@@](O)(CN)C1 ZINC001246562575 1140966388 /nfs/dbraw/zinc/96/63/88/1140966388.db2.gz UJVPXWXISDPKDW-CZUORRHYSA-N 1 3 312.454 2.482 20 0 DEADHO C[C@H](CSc1ccc(F)cc1)[N@H+]1CCCC[C@@](O)(CN)C1 ZINC001246562575 1140966411 /nfs/dbraw/zinc/96/64/11/1140966411.db2.gz UJVPXWXISDPKDW-CZUORRHYSA-N 1 3 312.454 2.482 20 0 DEADHO C[NH2+]CC[C@H](C)N1CC[C@@]2(CC(=O)N(c3cccc(C)c3)C2)C1 ZINC001246743745 1141048982 /nfs/dbraw/zinc/04/89/82/1141048982.db2.gz HWOVGRPUIXDMEW-QFBILLFUSA-N 1 3 315.461 2.422 20 0 DEADHO Cc1cc(F)ccc1[C@H]1C[C@H](N2CC[C@@H](F)[C@H](N)C2)CC[NH2+]1 ZINC001246839617 1141084193 /nfs/dbraw/zinc/08/41/93/1141084193.db2.gz YOPRFXFUFNCSFA-MWQQHZPXSA-N 1 3 309.404 2.298 20 0 DEADHO Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CC[C@]3(N)C2)CCN1 ZINC001246855265 1141089651 /nfs/dbraw/zinc/08/96/51/1141089651.db2.gz UEPXMJSDKDIKIT-DHXZDTOLSA-N 1 3 303.425 2.350 20 0 DEADHO Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2C[C@@H]3CC[C@]3(N)C2)CCN1 ZINC001246855265 1141089655 /nfs/dbraw/zinc/08/96/55/1141089655.db2.gz UEPXMJSDKDIKIT-DHXZDTOLSA-N 1 3 303.425 2.350 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC/C=C\C[NH2+]CCC1=CCCCC1 ZINC001321353025 1141197224 /nfs/dbraw/zinc/19/72/24/1141197224.db2.gz MGWCXEKGZKTLOP-WAYWQWQTSA-N 1 3 316.449 2.413 20 0 DEADHO c1ccc2c(c1)CC1(CC[NH+]([C@@H]3CCOC4(CNC4)C3)CC1)N2 ZINC001247009612 1141241335 /nfs/dbraw/zinc/24/13/35/1141241335.db2.gz LDTBTSHCWDCBLS-MRXNPFEDSA-N 1 3 313.445 2.010 20 0 DEADHO CC1(C)N[C@@H](Cc2nc3ccccc3n2C2CC[NH2+]CC2)CO1 ZINC001247018844 1141248490 /nfs/dbraw/zinc/24/84/90/1141248490.db2.gz FDXZLZZUICNGBZ-ZDUSSCGKSA-N 1 3 314.433 2.228 20 0 DEADHO C[C@H](C[NH2+]CCC(F)(F)F)NC(=O)C(C)(C)N1CCCCC1 ZINC001321514392 1141299366 /nfs/dbraw/zinc/29/93/66/1141299366.db2.gz STCBYZWLUDACJE-GFCCVEGCSA-N 1 3 323.403 2.298 20 0 DEADHO Cc1ccc(-c2noc([C@@H]3CNCC34C[NH2+]C4)n2)c2ccccc12 ZINC001247831542 1141543698 /nfs/dbraw/zinc/54/36/98/1141543698.db2.gz UFPYQHCWXSHWFN-INIZCTEOSA-N 1 3 320.396 2.475 20 0 DEADHO Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCN(C(C)C)C[C@@H]1C ZINC001251747841 1142502660 /nfs/dbraw/zinc/50/26/60/1142502660.db2.gz BFGNVHBRIWCWJH-KSZLIROESA-N 1 3 320.477 2.443 20 0 DEADHO CCN(CC)C[C@@H](O)C[N@@H+]1CC[C@H](c2cccc(OC)c2)C1 ZINC001253192443 1142851662 /nfs/dbraw/zinc/85/16/62/1142851662.db2.gz QONYPEHHUONNRL-DLBZAZTESA-N 1 3 306.450 2.187 20 0 DEADHO CCN(CC)C[C@@H](O)C[N@H+]1CC[C@H](c2cccc(OC)c2)C1 ZINC001253192443 1142851666 /nfs/dbraw/zinc/85/16/66/1142851666.db2.gz QONYPEHHUONNRL-DLBZAZTESA-N 1 3 306.450 2.187 20 0 DEADHO CC[NH+](CC)C[C@@H](O)CNC[C@@H](c1ccccc1)N1CCCC1 ZINC001253202933 1142853731 /nfs/dbraw/zinc/85/37/31/1142853731.db2.gz COHROQPVQBJTHQ-OALUTQOASA-N 1 3 319.493 2.116 20 0 DEADHO CC[NH+](CC)C[C@@H](O)CN[C@@H]1CCc2c3ccccc3[nH]c2C1 ZINC001253211230 1142854337 /nfs/dbraw/zinc/85/43/37/1142854337.db2.gz UNKPJKPGFWICJB-CABCVRRESA-N 1 3 315.461 2.318 20 0 DEADHO CCN(CC)C[C@@H](O)C[NH2+]C1(Cc2ccccc2OC)CC1 ZINC001253215272 1142855563 /nfs/dbraw/zinc/85/55/63/1142855563.db2.gz WPWLDMXMKBLTQF-INIZCTEOSA-N 1 3 306.450 2.063 20 0 DEADHO CC[NH+](CC)CCCNC[C@@H](O)CCOCc1ccccc1 ZINC001253259329 1142858304 /nfs/dbraw/zinc/85/83/04/1142858304.db2.gz UEBKHWKMFVVFOZ-SFHVURJKSA-N 1 3 308.466 2.276 20 0 DEADHO CN1CCC[C@H]([NH2+]Cc2ccc(N3CCCCC3=O)nc2)CC1 ZINC001254511082 1143158237 /nfs/dbraw/zinc/15/82/37/1143158237.db2.gz UXVVWIOLDYAAJD-INIZCTEOSA-N 1 3 316.449 2.172 20 0 DEADHO Cc1noc([C@@H]2C[C@@H]3CC[N@@H+]([C@@H]4CCCN(C)CC4)C[C@H]3O2)n1 ZINC001254520270 1143178948 /nfs/dbraw/zinc/17/89/48/1143178948.db2.gz NOJNINQVQOWYLI-XUWVNRHRSA-N 1 3 320.437 2.014 20 0 DEADHO Cc1noc([C@@H]2C[C@@H]3CC[N@H+]([C@@H]4CCCN(C)CC4)C[C@H]3O2)n1 ZINC001254520270 1143178954 /nfs/dbraw/zinc/17/89/54/1143178954.db2.gz NOJNINQVQOWYLI-XUWVNRHRSA-N 1 3 320.437 2.014 20 0 DEADHO CN1CCC[C@H]([NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)CC1 ZINC001254529598 1143222936 /nfs/dbraw/zinc/22/29/36/1143222936.db2.gz OOMRYLPEYVALDA-KBPBESRZSA-N 1 3 308.388 2.496 20 0 DEADHO C[C@H](CN)C[N@H+](C)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254895770 1143354926 /nfs/dbraw/zinc/35/49/26/1143354926.db2.gz ZUWZLCZHBYIISI-KBXIAJHMSA-N 1 3 311.470 2.159 20 0 DEADHO C[C@H](CN)C[N@@H+](C)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254895770 1143354933 /nfs/dbraw/zinc/35/49/33/1143354933.db2.gz ZUWZLCZHBYIISI-KBXIAJHMSA-N 1 3 311.470 2.159 20 0 DEADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H](CO)Cc1cccc(OC)c1 ZINC001255948863 1143816350 /nfs/dbraw/zinc/81/63/50/1143816350.db2.gz QSTNHCFFXVGOBJ-NVXWUHKLSA-N 1 3 308.466 2.309 20 0 DEADHO CCN(CC)CC[C@H](C)[N@@H+]1C[C@H](C)[C@]2(CCN(CC)C2=O)C1 ZINC001255963421 1143817659 /nfs/dbraw/zinc/81/76/59/1143817659.db2.gz PTCHKIOIGYBIIZ-BQFCYCMXSA-N 1 3 309.498 2.297 20 0 DEADHO CCN(CC)CC[C@H](C)[N@H+]1C[C@H](C)[C@]2(CCN(CC)C2=O)C1 ZINC001255963421 1143817660 /nfs/dbraw/zinc/81/76/60/1143817660.db2.gz PTCHKIOIGYBIIZ-BQFCYCMXSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)(O)CCN1CCN(C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001256576817 1143854827 /nfs/dbraw/zinc/85/48/27/1143854827.db2.gz SNZUQCWODBSWOW-UHFFFAOYSA-N 1 3 311.514 2.028 20 0 DEADHO CC(C)C(=O)N1CCC[C@@]12CCN(C1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001256625180 1143858353 /nfs/dbraw/zinc/85/83/53/1143858353.db2.gz AGRSMDDFKZHSNI-RZRMAFQFSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)C(=O)N1CCC[C@@]12CCN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001256625180 1143858354 /nfs/dbraw/zinc/85/83/54/1143858354.db2.gz AGRSMDDFKZHSNI-RZRMAFQFSA-N 1 3 319.493 2.335 20 0 DEADHO CN(C)c1ccccc1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256677325 1143861266 /nfs/dbraw/zinc/86/12/66/1143861266.db2.gz CPLSLTPVOAYFLO-UHFFFAOYSA-N 1 3 317.477 2.486 20 0 DEADHO c1ccc2c(c1)C[C@@H](C[NH2+]C1CCC(N3CCOCC3)CC1)O2 ZINC001256678991 1143861307 /nfs/dbraw/zinc/86/13/07/1143861307.db2.gz YOJLEGMPTCQKGB-ABHNRTSZSA-N 1 3 316.445 2.223 20 0 DEADHO OC[C@@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1ccc(F)cc1 ZINC001256678487 1143861341 /nfs/dbraw/zinc/86/13/41/1143861341.db2.gz WYRPZRQXRDCFEY-DAWZGUTISA-N 1 3 322.424 2.092 20 0 DEADHO C1CC1([NH2+]C1CCC(N2CCOCC2)CC1)C1CCOCC1 ZINC001256679855 1143861880 /nfs/dbraw/zinc/86/18/80/1143861880.db2.gz UIJRXBSJTZYLLX-UHFFFAOYSA-N 1 3 308.466 2.179 20 0 DEADHO [NH2+]=C(NC1CCC(N2CCOCC2)CC1)c1cccnc1Cl ZINC001256683662 1143862032 /nfs/dbraw/zinc/86/20/32/1143862032.db2.gz FXHDTCBJQQGAIF-UHFFFAOYSA-N 1 3 322.840 2.293 20 0 DEADHO c1ccc(C2(C[NH2+]C3CCC(N4CCOCC4)CC3)CC2)nc1 ZINC001256685699 1143862207 /nfs/dbraw/zinc/86/22/07/1143862207.db2.gz FTHBSPYJJUMLFE-UHFFFAOYSA-N 1 3 315.461 2.346 20 0 DEADHO COc1ccnc(O[C@@H]2CC[N@@H+](C3CCN(C(C)C)CC3)C2)c1 ZINC001257222947 1143894532 /nfs/dbraw/zinc/89/45/32/1143894532.db2.gz HNZXTTPHWQWJBR-QGZVFWFLSA-N 1 3 319.449 2.416 20 0 DEADHO COc1ccnc(O[C@@H]2CC[N@H+](C3CCN(C(C)C)CC3)C2)c1 ZINC001257222947 1143894533 /nfs/dbraw/zinc/89/45/33/1143894533.db2.gz HNZXTTPHWQWJBR-QGZVFWFLSA-N 1 3 319.449 2.416 20 0 DEADHO CC(C)C[NH+]1CCC(NCCn2nnc3ccccc32)CC1 ZINC001258003818 1143963992 /nfs/dbraw/zinc/96/39/92/1143963992.db2.gz UZMFGZBVBMFNKC-UHFFFAOYSA-N 1 3 301.438 2.141 20 0 DEADHO CCC[NH+]1CCC(NCCc2cccc(S(C)(=O)=O)c2)CC1 ZINC001258769645 1144039591 /nfs/dbraw/zinc/03/95/91/1144039591.db2.gz ZLTDBABDTCAENY-UHFFFAOYSA-N 1 3 324.490 2.097 20 0 DEADHO CCC[NH+]1CCC(N2C[C@H]3[C@H](CN3C(=O)OC(C)(C)C)C2)CC1 ZINC001258776549 1144041385 /nfs/dbraw/zinc/04/13/85/1144041385.db2.gz DMLDDWFOYZEVEN-HOCLYGCPSA-N 1 3 323.481 2.412 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCCC[C@H]([NH2+]CCCF)C2)C1 ZINC001264122871 1144474477 /nfs/dbraw/zinc/47/44/77/1144474477.db2.gz VTJIVDBPEMTIQP-CVEARBPZSA-N 1 3 313.461 2.049 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C1CC[NH+](CCCCCF)CC1 ZINC001265201060 1144665022 /nfs/dbraw/zinc/66/50/22/1144665022.db2.gz HEUQQIREDGGJBZ-UHFFFAOYSA-N 1 3 315.477 2.389 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]CCC3CCCC3)C2)C1 ZINC001266016477 1144788063 /nfs/dbraw/zinc/78/80/63/1144788063.db2.gz ZNSSNYIRIVXGLS-FUHWJXTLSA-N 1 3 321.509 2.347 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[NH+](CCCCCF)CC2 ZINC001280392268 1144837711 /nfs/dbraw/zinc/83/77/11/1144837711.db2.gz VTYSHCVBMIXFDD-UHFFFAOYSA-N 1 3 322.428 2.016 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCN(C)[C@H]1C ZINC001364205765 1145077108 /nfs/dbraw/zinc/07/71/08/1145077108.db2.gz UZGYOYSRYOEVCX-XHSDSOJGSA-N 1 3 310.486 2.033 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCN(C)[C@H]1C ZINC001364205765 1145077116 /nfs/dbraw/zinc/07/71/16/1145077116.db2.gz UZGYOYSRYOEVCX-XHSDSOJGSA-N 1 3 310.486 2.033 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCC[NH2+]Cc1ccccc1 ZINC001283268958 1145340918 /nfs/dbraw/zinc/34/09/18/1145340918.db2.gz OPFKTFRMAXSUST-AWEZNQCLSA-N 1 3 314.433 2.335 20 0 DEADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]Cc2ccc3c[nH]nc3c2)CC1 ZINC001364615036 1145381021 /nfs/dbraw/zinc/38/10/21/1145381021.db2.gz CKDRKGQUHMQWDI-MSOLQXFVSA-N 1 3 314.433 2.030 20 0 DEADHO CC(C)[C@@H](NC1CCN(c2cc[nH+]cc2)CC1)c1nncn1C ZINC001364669052 1145438059 /nfs/dbraw/zinc/43/80/59/1145438059.db2.gz DRYBAIVJFCGMCY-MRXNPFEDSA-N 1 3 314.437 2.166 20 0 DEADHO CC(C)=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001283534858 1145504871 /nfs/dbraw/zinc/50/48/71/1145504871.db2.gz ZRZFZAFQCBNDIR-DLBZAZTESA-N 1 3 309.498 2.365 20 0 DEADHO COC(=O)c1ccc(CNC2CCC(C)([NH+]3CCC3)CC2)nc1 ZINC001364754729 1145541592 /nfs/dbraw/zinc/54/15/92/1145541592.db2.gz DRTFJIRLFVXQCU-UHFFFAOYSA-N 1 3 317.433 2.365 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCCCN1C ZINC001365104406 1145802448 /nfs/dbraw/zinc/80/24/48/1145802448.db2.gz ZYQUQTINYVDJAL-DLBZAZTESA-N 1 3 324.513 2.425 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCCCN1C ZINC001365104406 1145802449 /nfs/dbraw/zinc/80/24/49/1145802449.db2.gz ZYQUQTINYVDJAL-DLBZAZTESA-N 1 3 324.513 2.425 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001365111300 1145803598 /nfs/dbraw/zinc/80/35/98/1145803598.db2.gz OIMUYAOCBXWXLK-IAGOWNOFSA-N 1 3 322.497 2.034 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001365111300 1145803599 /nfs/dbraw/zinc/80/35/99/1145803599.db2.gz OIMUYAOCBXWXLK-IAGOWNOFSA-N 1 3 322.497 2.034 20 0 DEADHO CN1C[C@@H]2CC[C@@H]([NH2+]C3CCN(C(=O)OC(C)(C)C)CC3)[C@H]2C1 ZINC001365503981 1145882594 /nfs/dbraw/zinc/88/25/94/1145882594.db2.gz LAFYANAJMRNVBW-CWRNSKLLSA-N 1 3 323.481 2.316 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+][C@H](CCO)c2ccco2)CC1 ZINC001365584113 1145897500 /nfs/dbraw/zinc/89/75/00/1145897500.db2.gz WAISQKXGBRLPRR-UPTPFMHGSA-N 1 3 322.449 2.326 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]CCc2cccs2)C1 ZINC001365849307 1146027987 /nfs/dbraw/zinc/02/79/87/1146027987.db2.gz LSEHKFUFRZPSSG-SHTZXODSSA-N 1 3 323.506 2.115 20 0 DEADHO CC(C)[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001365859808 1146031497 /nfs/dbraw/zinc/03/14/97/1146031497.db2.gz HEIRWYVVGBUILK-DOTOQJQBSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CCCF)CC(C)(C)C1)N(C)C ZINC001365904988 1146056181 /nfs/dbraw/zinc/05/61/81/1146056181.db2.gz HMDXZROEFUHJRJ-CABCVRRESA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCCF)CC(C)(C)C1)N(C)C ZINC001365904988 1146056184 /nfs/dbraw/zinc/05/61/84/1146056184.db2.gz HMDXZROEFUHJRJ-CABCVRRESA-N 1 3 315.477 2.293 20 0 DEADHO Cc1ccccc1CN1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001365992976 1146994566 /nfs/dbraw/zinc/99/45/66/1146994566.db2.gz ZXWZRQMPCIEANT-KRWDZBQOSA-N 1 3 315.461 2.027 20 0 DEADHO CC[C@@H](F)CN1CCC2(C[C@H]2NC(=O)CC[N@H+](C)CC)CC1 ZINC001366013647 1147008796 /nfs/dbraw/zinc/00/87/96/1147008796.db2.gz FRSZOXGEWLEIIZ-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@@H](F)CN1CCC2(C[C@H]2NC(=O)CC[N@@H+](C)CC)CC1 ZINC001366013647 1147008801 /nfs/dbraw/zinc/00/88/01/1147008801.db2.gz FRSZOXGEWLEIIZ-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO Cc1cc(F)ccc1C[NH2+][C@H](C)CCNC(=O)CN(C)C(C)C ZINC001492128933 1147084694 /nfs/dbraw/zinc/08/46/94/1147084694.db2.gz IXNSPXWJGUHITI-OAHLLOKOSA-N 1 3 323.456 2.459 20 0 DEADHO CN(C)C1(C(=O)NCCC[C@H]2CCC[N@@H+]2CC2CC2)CCC1 ZINC001492158736 1147103681 /nfs/dbraw/zinc/10/36/81/1147103681.db2.gz SEXPDFADAHSBCV-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C)C1(C(=O)NCCC[C@H]2CCC[N@H+]2CC2CC2)CCC1 ZINC001492158736 1147103684 /nfs/dbraw/zinc/10/36/84/1147103684.db2.gz SEXPDFADAHSBCV-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001366231080 1147138266 /nfs/dbraw/zinc/13/82/66/1147138266.db2.gz TYOYTJGASKLNQA-NVXWUHKLSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001366231080 1147138275 /nfs/dbraw/zinc/13/82/75/1147138275.db2.gz TYOYTJGASKLNQA-NVXWUHKLSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001366231108 1147139524 /nfs/dbraw/zinc/13/95/24/1147139524.db2.gz TYOYTJGASKLNQA-WBVHZDCISA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001366231108 1147139529 /nfs/dbraw/zinc/13/95/29/1147139529.db2.gz TYOYTJGASKLNQA-WBVHZDCISA-N 1 3 309.498 2.343 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001366327163 1147216908 /nfs/dbraw/zinc/21/69/08/1147216908.db2.gz TVIZMYFLBXPNDT-NVXWUHKLSA-N 1 3 305.466 2.176 20 0 DEADHO CC[C@@H](C)C[N@H+](C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001366426148 1147268127 /nfs/dbraw/zinc/26/81/27/1147268127.db2.gz AQMNOKGQAALSKF-WBVHZDCISA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C)C[N@@H+](C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001366426148 1147268133 /nfs/dbraw/zinc/26/81/33/1147268133.db2.gz AQMNOKGQAALSKF-WBVHZDCISA-N 1 3 309.498 2.440 20 0 DEADHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+]CCCC2CCC2)C1 ZINC001317345139 1147353504 /nfs/dbraw/zinc/35/35/04/1147353504.db2.gz YDQNPFHUWNOFLA-QGZVFWFLSA-N 1 3 307.482 2.101 20 0 DEADHO CCn1ccnc1CNCCc1ccc(OCC[NH+](C)C)cc1 ZINC001308258693 1147463178 /nfs/dbraw/zinc/46/31/78/1147463178.db2.gz BYTMZYNWESDSNC-UHFFFAOYSA-N 1 3 316.449 2.176 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC001366714154 1147507685 /nfs/dbraw/zinc/50/76/85/1147507685.db2.gz ZQWCWCDIWQJMJQ-KRWDZBQOSA-N 1 3 317.477 2.275 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC001366714154 1147507691 /nfs/dbraw/zinc/50/76/91/1147507691.db2.gz ZQWCWCDIWQJMJQ-KRWDZBQOSA-N 1 3 317.477 2.275 20 0 DEADHO C[C@H](F)CC[NH2+]C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001317149090 1147589843 /nfs/dbraw/zinc/58/98/43/1147589843.db2.gz HBNXGNYDWOGVKR-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO CC[N@@H+]1CC[C@@H](CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001366846313 1147592032 /nfs/dbraw/zinc/59/20/32/1147592032.db2.gz OQQMOFWKRZAQEH-PBHICJAKSA-N 1 3 313.461 2.047 20 0 DEADHO CC[N@H+]1CC[C@@H](CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001366846313 1147592035 /nfs/dbraw/zinc/59/20/35/1147592035.db2.gz OQQMOFWKRZAQEH-PBHICJAKSA-N 1 3 313.461 2.047 20 0 DEADHO C[N@H+](CCCNC(=O)C(C)(C)N1CCCCC1)CC1CCC1 ZINC001316826072 1147608744 /nfs/dbraw/zinc/60/87/44/1147608744.db2.gz XNEPAUCNRINCIB-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO C[N@@H+](CCCNC(=O)C(C)(C)N1CCCCC1)CC1CCC1 ZINC001316826072 1147608745 /nfs/dbraw/zinc/60/87/45/1147608745.db2.gz XNEPAUCNRINCIB-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001367024246 1147635235 /nfs/dbraw/zinc/63/52/35/1147635235.db2.gz CTOZQJUCXDNHFN-SJORKVTESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001367024246 1147635236 /nfs/dbraw/zinc/63/52/36/1147635236.db2.gz CTOZQJUCXDNHFN-SJORKVTESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCc2cccs2)C1)N(C)C ZINC001367026854 1147635727 /nfs/dbraw/zinc/63/57/27/1147635727.db2.gz WGLYTTJDCSIBNY-GOEBONIOSA-N 1 3 323.506 2.067 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CCc2cccs2)C1)N(C)C ZINC001367026854 1147635728 /nfs/dbraw/zinc/63/57/28/1147635728.db2.gz WGLYTTJDCSIBNY-GOEBONIOSA-N 1 3 323.506 2.067 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001367190548 1147662256 /nfs/dbraw/zinc/66/22/56/1147662256.db2.gz SXELLNPCTLOVFO-RBSFLKMASA-N 1 3 313.461 2.236 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1 ZINC001367249494 1147669511 /nfs/dbraw/zinc/66/95/11/1147669511.db2.gz SOAXEBRBHKQSRW-AEFFLSMTSA-N 1 3 317.477 2.401 20 0 DEADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(F)cc1 ZINC001367405781 1147689985 /nfs/dbraw/zinc/68/99/85/1147689985.db2.gz XBZIMFWZICGCPN-CQSZACIVSA-N 1 3 309.429 2.104 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CCCC1 ZINC001367416940 1147691562 /nfs/dbraw/zinc/69/15/62/1147691562.db2.gz SDDYEFNVWYDISB-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001367557592 1147715968 /nfs/dbraw/zinc/71/59/68/1147715968.db2.gz ACNOEGWJHMESKI-MSOLQXFVSA-N 1 3 317.477 2.401 20 0 DEADHO Cc1cccc(CN(C)C[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001367835612 1147756846 /nfs/dbraw/zinc/75/68/46/1147756846.db2.gz PMJPGFPDXOLLKR-INIZCTEOSA-N 1 3 317.477 2.273 20 0 DEADHO CC/C=C/CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001317842072 1147756973 /nfs/dbraw/zinc/75/69/73/1147756973.db2.gz KXQNZAXTGNSMTK-PIIXRYACSA-N 1 3 309.498 2.463 20 0 DEADHO CC/C=C/CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001317842072 1147756974 /nfs/dbraw/zinc/75/69/74/1147756974.db2.gz KXQNZAXTGNSMTK-PIIXRYACSA-N 1 3 309.498 2.463 20 0 DEADHO CC(C)=CC[N@@H+](C)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001317880631 1147759966 /nfs/dbraw/zinc/75/99/66/1147759966.db2.gz ZGMHQARGOFRRQR-KRWDZBQOSA-N 1 3 321.509 2.465 20 0 DEADHO CC(C)=CC[N@H+](C)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001317880631 1147759968 /nfs/dbraw/zinc/75/99/68/1147759968.db2.gz ZGMHQARGOFRRQR-KRWDZBQOSA-N 1 3 321.509 2.465 20 0 DEADHO CC[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1[NH2+]C/C=C\Cl ZINC001367931322 1147783734 /nfs/dbraw/zinc/78/37/34/1147783734.db2.gz ZAHVTUSMZWIYDQ-XCRGBYMUSA-N 1 3 315.889 2.296 20 0 DEADHO CC(C)CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001325523939 1147934901 /nfs/dbraw/zinc/93/49/01/1147934901.db2.gz BTVBQHSZVMFTPM-JKSUJKDBSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H](CC[NH2+]C/C=C/Cl)C1)N(C)C ZINC001326351451 1148083455 /nfs/dbraw/zinc/08/34/55/1148083455.db2.gz GLMVZGFVSUBIBM-VZLFFANISA-N 1 3 315.889 2.153 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1([NH2+]CCCF)CCC1 ZINC001326900864 1148286037 /nfs/dbraw/zinc/28/60/37/1148286037.db2.gz ZDLXPIDFSOMZNH-OAHLLOKOSA-N 1 3 313.461 2.237 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC2CC2)C1 ZINC001368192801 1148317870 /nfs/dbraw/zinc/31/78/70/1148317870.db2.gz FFHAHKHIMCQEDC-PKOBYXMFSA-N 1 3 321.509 2.488 20 0 DEADHO C[NH+]1CCC(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000096624929 185384554 /nfs/dbraw/zinc/38/45/54/185384554.db2.gz CJBLQPAFOLSJTM-UHFFFAOYSA-N 1 3 315.461 2.109 20 0 DEADHO C[NH+](C)CC[C@H](NC(=O)NC1CCN(C2CC2)CC1)C(C)(C)C ZINC000116415989 282114314 /nfs/dbraw/zinc/11/43/14/282114314.db2.gz HQRRMYKMZBQNGE-INIZCTEOSA-N 1 3 324.513 2.279 20 0 DEADHO OC1CCN(Cc2ccc(C[NH2+]C[C@H]3CCSC3)cc2)CC1 ZINC000278508251 214200189 /nfs/dbraw/zinc/20/01/89/214200189.db2.gz OMKYICZQWPMWQY-QGZVFWFLSA-N 1 3 320.502 2.486 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000107599655 282146224 /nfs/dbraw/zinc/14/62/24/282146224.db2.gz NATJSJVCXHLHIJ-GOSISDBHSA-N 1 3 315.461 2.449 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000418033743 529450512 /nfs/dbraw/zinc/45/05/12/529450512.db2.gz NRWARGLCYNIVLG-DLBZAZTESA-N 1 3 320.481 2.180 20 0 DEADHO CC[C@H]([NH2+]CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCCCN1 ZINC000422799582 529589807 /nfs/dbraw/zinc/58/98/07/529589807.db2.gz XMYPTYCCZFOURA-QAETUUGQSA-N 1 3 311.514 2.385 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)NCC[N@@H+](CC)C1CC1 ZINC000417427346 529614116 /nfs/dbraw/zinc/61/41/16/529614116.db2.gz IUZYVRLJIKBNHQ-QGZVFWFLSA-N 1 3 318.465 2.032 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)NCC[N@H+](CC)C1CC1 ZINC000417427346 529614119 /nfs/dbraw/zinc/61/41/19/529614119.db2.gz IUZYVRLJIKBNHQ-QGZVFWFLSA-N 1 3 318.465 2.032 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000417447963 529614128 /nfs/dbraw/zinc/61/41/28/529614128.db2.gz SGCPYSBTHAHXLS-WMLDXEAASA-N 1 3 320.481 2.278 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000417447963 529614130 /nfs/dbraw/zinc/61/41/30/529614130.db2.gz SGCPYSBTHAHXLS-WMLDXEAASA-N 1 3 320.481 2.278 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000417749213 529615675 /nfs/dbraw/zinc/61/56/75/529615675.db2.gz JAYKAFGKMSGLHS-JLJPHGGASA-N 1 3 318.465 2.031 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000417749213 529615678 /nfs/dbraw/zinc/61/56/78/529615678.db2.gz JAYKAFGKMSGLHS-JLJPHGGASA-N 1 3 318.465 2.031 20 0 DEADHO CC(C)CN1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000613258914 362060683 /nfs/dbraw/zinc/06/06/83/362060683.db2.gz PTJPNXNFWFYDLV-UHFFFAOYSA-N 1 3 319.493 2.401 20 0 DEADHO CCc1nc(CN2CCC(C[NH2+][C@H]3CCC[C@@H]3N)CC2)cs1 ZINC000422914761 529735788 /nfs/dbraw/zinc/73/57/88/529735788.db2.gz VVTGFLCFOMZSBL-HOTGVXAUSA-N 1 3 322.522 2.387 20 0 DEADHO CN1CCC[C@H](CNC(=O)NCCCC[NH3+])[C@H]1c1cccs1 ZINC000417744843 530061049 /nfs/dbraw/zinc/06/10/49/530061049.db2.gz YZBQKXXPRKFLCR-HIFRSBDPSA-N 1 3 324.494 2.169 20 0 DEADHO C[C@@H](CC[NH+](C)C)NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000286883414 219209127 /nfs/dbraw/zinc/20/91/27/219209127.db2.gz DKWXWLJMZKRPDT-HNNXBMFYSA-N 1 3 324.469 2.083 20 0 DEADHO CC(=O)Nc1ccc([C@@H](C)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000181988139 199372151 /nfs/dbraw/zinc/37/21/51/199372151.db2.gz OPKCJAXYFKIQNK-CQSZACIVSA-N 1 3 319.449 2.142 20 0 DEADHO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000162256491 539596657 /nfs/dbraw/zinc/59/66/57/539596657.db2.gz HYOOSLYGWPYVGD-DLBZAZTESA-N 1 3 301.434 2.282 20 0 DEADHO CN(C)CCOc1cccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166206226 539608974 /nfs/dbraw/zinc/60/89/74/539608974.db2.gz LJVZSXVGANIYST-ZWKOTPCHSA-N 1 3 317.477 2.343 20 0 DEADHO CN(C)CCOc1cccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166206226 539608977 /nfs/dbraw/zinc/60/89/77/539608977.db2.gz LJVZSXVGANIYST-ZWKOTPCHSA-N 1 3 317.477 2.343 20 0 DEADHO [NH3+]C1(CC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CCC1 ZINC000166207500 539609716 /nfs/dbraw/zinc/60/97/16/539609716.db2.gz IXJWCZWLJSJEID-CQSZACIVSA-N 1 3 321.490 2.348 20 0 DEADHO CCN1CC[C@@H](C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000279923674 215241746 /nfs/dbraw/zinc/24/17/46/215241746.db2.gz MTMYBGOQCDMNLX-ZDUSSCGKSA-N 1 3 319.840 2.352 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)CC2([NH3+])CCC2)CCN1Cc1ccccc1 ZINC000237566594 539747369 /nfs/dbraw/zinc/74/73/69/539747369.db2.gz AJXQLZXJKQDDGI-WBVHZDCISA-N 1 3 315.461 2.427 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)NC1CCN(C)CC1)CC(C)C ZINC000071923098 191032617 /nfs/dbraw/zinc/03/26/17/191032617.db2.gz GYKMDBKOTYOLPL-MRXNPFEDSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@H]1CCC[N@H+](CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000155784062 186112649 /nfs/dbraw/zinc/11/26/49/186112649.db2.gz TYOQQVCHWRWECN-HNNXBMFYSA-N 1 3 303.450 2.210 20 0 DEADHO C[C@H]1CCC[N@@H+](CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000155784062 186112651 /nfs/dbraw/zinc/11/26/51/186112651.db2.gz TYOQQVCHWRWECN-HNNXBMFYSA-N 1 3 303.450 2.210 20 0 DEADHO CN(CCN1CC[NH2+]CC1)Cc1c[nH]c2cc(Cl)ccc12 ZINC000163906896 186142317 /nfs/dbraw/zinc/14/23/17/186142317.db2.gz QDFXQGCMLBWTKI-UHFFFAOYSA-N 1 3 306.841 2.158 20 0 DEADHO NC[C@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1cccc(F)c1)C2 ZINC000319527045 539893512 /nfs/dbraw/zinc/89/35/12/539893512.db2.gz CNAUIONDJDHRBK-GUYCJALGSA-N 1 3 305.397 2.215 20 0 DEADHO NC[C@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1cccc(F)c1)C2 ZINC000319527045 539893515 /nfs/dbraw/zinc/89/35/15/539893515.db2.gz CNAUIONDJDHRBK-GUYCJALGSA-N 1 3 305.397 2.215 20 0 DEADHO CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC000321379123 539900150 /nfs/dbraw/zinc/90/01/50/539900150.db2.gz VKVVQMNVZMXGAK-GOSISDBHSA-N 1 3 315.461 2.205 20 0 DEADHO CN1CCC(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000072886676 191249021 /nfs/dbraw/zinc/24/90/21/191249021.db2.gz JIWUNLDKYCCBPK-UHFFFAOYSA-N 1 3 315.461 2.240 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c1 ZINC000072930029 191251858 /nfs/dbraw/zinc/25/18/58/191251858.db2.gz AWSNWLZKLLBQNB-DLBZAZTESA-N 1 3 316.449 2.449 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)c1 ZINC000072930029 191251860 /nfs/dbraw/zinc/25/18/60/191251860.db2.gz AWSNWLZKLLBQNB-DLBZAZTESA-N 1 3 316.449 2.449 20 0 DEADHO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000174154936 198299836 /nfs/dbraw/zinc/29/98/36/198299836.db2.gz JRXSDHIBRHQGBE-KRWDZBQOSA-N 1 3 303.450 2.305 20 0 DEADHO CC1(C)CCCN[C@H]1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000333153938 282921747 /nfs/dbraw/zinc/92/17/47/282921747.db2.gz FNKWLLQJYSWLDD-HNNXBMFYSA-N 1 3 305.397 2.188 20 0 DEADHO C[C@H](CCNC(=O)c1cccc(CN2CCCC2)c1)[NH+](C)C ZINC000617750686 363251211 /nfs/dbraw/zinc/25/12/11/363251211.db2.gz JRJXXTCSEUYFQY-OAHLLOKOSA-N 1 3 303.450 2.352 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000236789525 202010188 /nfs/dbraw/zinc/01/01/88/202010188.db2.gz FTTMIMMAQAVAGU-NVXWUHKLSA-N 1 3 303.450 2.171 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000236789525 202010191 /nfs/dbraw/zinc/01/01/91/202010191.db2.gz FTTMIMMAQAVAGU-NVXWUHKLSA-N 1 3 303.450 2.171 20 0 DEADHO CC[NH+](CC)CC1CCN(Cc2cccc(C(N)=O)c2)CC1 ZINC000047978546 354337003 /nfs/dbraw/zinc/33/70/03/354337003.db2.gz BLJFLNXZPDRMHF-UHFFFAOYSA-N 1 3 303.450 2.339 20 0 DEADHO CC[NH+](CC)CC1CCN(Cc2ccc(C(N)=O)cc2)CC1 ZINC000047978358 354337319 /nfs/dbraw/zinc/33/73/19/354337319.db2.gz NCBRVDPRMLZGMP-UHFFFAOYSA-N 1 3 303.450 2.339 20 0 DEADHO C[NH+]1CCC(N2CCC(Nc3cncc(Cl)n3)CC2)CC1 ZINC000050954398 354377485 /nfs/dbraw/zinc/37/74/85/354377485.db2.gz KPICLSUEJNLKGA-UHFFFAOYSA-N 1 3 309.845 2.101 20 0 DEADHO Cc1ccccc1CN(C)C(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000431032013 237536073 /nfs/dbraw/zinc/53/60/73/237536073.db2.gz GUHSJDCADXRLIZ-UHFFFAOYSA-N 1 3 315.461 2.029 20 0 DEADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000066196071 354704083 /nfs/dbraw/zinc/70/40/83/354704083.db2.gz BGHFBYADXCWJTQ-OAHLLOKOSA-N 1 3 312.502 2.233 20 0 DEADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000066196071 354704088 /nfs/dbraw/zinc/70/40/88/354704088.db2.gz BGHFBYADXCWJTQ-OAHLLOKOSA-N 1 3 312.502 2.233 20 0 DEADHO CCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000358287344 283059678 /nfs/dbraw/zinc/05/96/78/283059678.db2.gz CAINTMHUMKYTPU-DLBZAZTESA-N 1 3 324.513 2.234 20 0 DEADHO CCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000358287344 283059680 /nfs/dbraw/zinc/05/96/80/283059680.db2.gz CAINTMHUMKYTPU-DLBZAZTESA-N 1 3 324.513 2.234 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000073442187 354959905 /nfs/dbraw/zinc/95/99/05/354959905.db2.gz JHNRVHJOLJLJCY-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN(C)CC[C@H]1C ZINC000355478374 283064261 /nfs/dbraw/zinc/06/42/61/283064261.db2.gz VORIGYOSGUCHLB-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN(C)CC[C@H]1C ZINC000355478374 283064265 /nfs/dbraw/zinc/06/42/65/283064265.db2.gz VORIGYOSGUCHLB-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)N1CCCCCC1 ZINC000074249864 355016584 /nfs/dbraw/zinc/01/65/84/355016584.db2.gz KOXNFTUFOOVAGW-DLBZAZTESA-N 1 3 307.482 2.338 20 0 DEADHO CN1CCC(O)(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000077450617 355205837 /nfs/dbraw/zinc/20/58/37/355205837.db2.gz UYWQTTWYISGAAM-UHFFFAOYSA-N 1 3 318.339 2.132 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc(CN)c3)CC[C@@H]21 ZINC000387742378 540128810 /nfs/dbraw/zinc/12/88/10/540128810.db2.gz QIAQEKNHEJSTDT-ZBFHGGJFSA-N 1 3 302.422 2.093 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc(CN)c3)CC[C@@H]21 ZINC000387742378 540128813 /nfs/dbraw/zinc/12/88/13/540128813.db2.gz QIAQEKNHEJSTDT-ZBFHGGJFSA-N 1 3 302.422 2.093 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000387709053 540129082 /nfs/dbraw/zinc/12/90/82/540129082.db2.gz KQLZIRXMAPEPLI-ZDUSSCGKSA-N 1 3 305.422 2.085 20 0 DEADHO C[C@H](N[C@H]1CCc2ccccc2NC1=O)C1CC[NH+](C)CC1 ZINC000396460185 540139075 /nfs/dbraw/zinc/13/90/75/540139075.db2.gz DSAATMSOZHSIFZ-GUYCJALGSA-N 1 3 301.434 2.260 20 0 DEADHO CCC[C@@H]1[C@@H](C)CCCN1CC(=O)NC1CC[NH+](CC)CC1 ZINC000089131480 355520595 /nfs/dbraw/zinc/52/05/95/355520595.db2.gz UOJRWGVLWRMEIY-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](N)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000130496803 355842957 /nfs/dbraw/zinc/84/29/57/355842957.db2.gz QRRWXWAACIJVDL-HYVNUMGLSA-N 1 3 303.450 2.235 20 0 DEADHO CC[C@@H](N)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000130496803 355842961 /nfs/dbraw/zinc/84/29/61/355842961.db2.gz QRRWXWAACIJVDL-HYVNUMGLSA-N 1 3 303.450 2.235 20 0 DEADHO C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@H](N)c1ccccc1 ZINC000370762866 283131570 /nfs/dbraw/zinc/13/15/70/283131570.db2.gz CENGYMQJXSAOPU-ZVZYQTTQSA-N 1 3 315.461 2.456 20 0 DEADHO C[C@H](C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)[C@H](N)c1ccccc1 ZINC000370762866 283131571 /nfs/dbraw/zinc/13/15/71/283131571.db2.gz CENGYMQJXSAOPU-ZVZYQTTQSA-N 1 3 315.461 2.456 20 0 DEADHO CCC[NH+]1CCC(N(C)C(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000171038697 355996434 /nfs/dbraw/zinc/99/64/34/355996434.db2.gz USNJXGGXGKLBTI-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO CN(CCN1CCCC1)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000161615445 355968747 /nfs/dbraw/zinc/96/87/47/355968747.db2.gz HOUKAVSCZPKQCZ-UHFFFAOYSA-N 1 3 324.513 2.380 20 0 DEADHO C[C@@H](C(=O)N(C1CC1)C1CC[NH2+]CC1)[C@@H](N)c1ccccc1 ZINC000370787238 283135467 /nfs/dbraw/zinc/13/54/67/283135467.db2.gz MXFYPPZVXJJMNY-CXAGYDPISA-N 1 3 301.434 2.066 20 0 DEADHO CC[NH+](CC)C[C@H]1CCN(C(=O)C2CCN(C3CC3)CC2)C1 ZINC000194698515 356243773 /nfs/dbraw/zinc/24/37/73/356243773.db2.gz UQNFXLAEUWZHLX-OAHLLOKOSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H](C(=O)NCC[NH+]1CCCCCC1)[C@H](N)c1ccccc1 ZINC000316533751 356429698 /nfs/dbraw/zinc/42/96/98/356429698.db2.gz KUHQSESDMCHJRT-RDJZCZTQSA-N 1 3 303.450 2.315 20 0 DEADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@H]1CCCCC[NH2+]1 ZINC000321962185 356451336 /nfs/dbraw/zinc/45/13/36/356451336.db2.gz GCLQEWXVWADGAN-MSOLQXFVSA-N 1 3 315.461 2.472 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000357886140 283183754 /nfs/dbraw/zinc/18/37/54/283183754.db2.gz RJVWATFPDKVGQU-SOUVJXGZSA-N 1 3 310.486 2.031 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000357886140 283183755 /nfs/dbraw/zinc/18/37/55/283183755.db2.gz RJVWATFPDKVGQU-SOUVJXGZSA-N 1 3 310.486 2.031 20 0 DEADHO CCC[C@@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000236934566 202078504 /nfs/dbraw/zinc/07/85/04/202078504.db2.gz IBFCNPGPMHCCCH-HQSKLWIPSA-N 1 3 315.461 2.426 20 0 DEADHO CCC[C@@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000236934566 202078507 /nfs/dbraw/zinc/07/85/07/202078507.db2.gz IBFCNPGPMHCCCH-HQSKLWIPSA-N 1 3 315.461 2.426 20 0 DEADHO CC[C@@H](C)[C@@H](N)C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000236942181 202084430 /nfs/dbraw/zinc/08/44/30/202084430.db2.gz JPBBGWLOYLZNCJ-RHSMWYFYSA-N 1 3 305.466 2.470 20 0 DEADHO C[NH+](C)Cc1cccc(CNC(=O)C[C@@H](N)c2ccccc2)c1 ZINC000237056938 202137836 /nfs/dbraw/zinc/13/78/36/202137836.db2.gz PKVIWXWOYNKIHC-GOSISDBHSA-N 1 3 311.429 2.455 20 0 DEADHO CCCN(CCC[NH+](C)C)C(=O)NC[C@H](N)c1ccccc1 ZINC000418424605 283220149 /nfs/dbraw/zinc/22/01/49/283220149.db2.gz GZGYBEMEDSSENB-INIZCTEOSA-N 1 3 306.454 2.060 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)N2CCC(CC[NH3+])CC2)cc1 ZINC000578514905 356830443 /nfs/dbraw/zinc/83/04/43/356830443.db2.gz CGLPXAWFUDQPQT-UHFFFAOYSA-N 1 3 318.465 2.019 20 0 DEADHO CC[NH+]1CCC(NC[C@H](O)COc2ccc(SC)cc2)CC1 ZINC000578998481 356906023 /nfs/dbraw/zinc/90/60/23/356906023.db2.gz STNFSNDDUXYSBK-HNNXBMFYSA-N 1 3 324.490 2.222 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000579350857 356961591 /nfs/dbraw/zinc/96/15/91/356961591.db2.gz WANMOQYYWGPDAU-ZOBUZTSGSA-N 1 3 318.465 2.076 20 0 DEADHO [NH3+][C@H]1C[C@@H](Nc2ccc(N3CCNCC3)cn2)c2ccccc21 ZINC000579822504 357035678 /nfs/dbraw/zinc/03/56/78/357035678.db2.gz WTNQSVJAINBXNS-DLBZAZTESA-N 1 3 309.417 2.048 20 0 DEADHO CN1CC[C@@H]2CCN(C(=O)CC[C@@H]([NH3+])c3ccccc3)[C@@H]2C1 ZINC000579829525 357038410 /nfs/dbraw/zinc/03/84/10/357038410.db2.gz OQOCEOUXQQBXGQ-BRWVUGGUSA-N 1 3 301.434 2.019 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000581233475 357152114 /nfs/dbraw/zinc/15/21/14/357152114.db2.gz RJVWATFPDKVGQU-KFWWJZLASA-N 1 3 310.486 2.031 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000581233475 357152116 /nfs/dbraw/zinc/15/21/16/357152116.db2.gz RJVWATFPDKVGQU-KFWWJZLASA-N 1 3 310.486 2.031 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H](C)C[C@@H](C)[NH3+])N(C)C ZINC000581665846 357226445 /nfs/dbraw/zinc/22/64/45/357226445.db2.gz JYTYSTGDNIZYNU-AIANPOQGSA-N 1 3 320.481 2.411 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)NCC1CC[NH2+]CC1)c1ccco1 ZINC000581715949 357235891 /nfs/dbraw/zinc/23/58/91/357235891.db2.gz NEDCLXPWJAMAPG-ZFWWWQNUSA-N 1 3 322.453 2.008 20 0 DEADHO [NH3+][C@H]1CCC[C@@H](NCc2ccc(CN3CCCC3=O)cc2)C1 ZINC000584729876 357299916 /nfs/dbraw/zinc/29/99/16/357299916.db2.gz HKLWLYLGRPMPIZ-DLBZAZTESA-N 1 3 301.434 2.169 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCCN(CCC(=O)NCc2ccccc2Cl)C1 ZINC000430543377 283254984 /nfs/dbraw/zinc/25/49/84/283254984.db2.gz MPDWENHTPQCILZ-ZFWWWQNUSA-N 1 3 323.868 2.406 20 0 DEADHO C[C@H](N)C[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000591580602 357737913 /nfs/dbraw/zinc/73/79/13/357737913.db2.gz AJYNTQOBYQOSOI-IUCAKERBSA-N 1 3 304.175 2.289 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000661396141 540317940 /nfs/dbraw/zinc/31/79/40/540317940.db2.gz BEOZVTKVPXXOKK-HZPDHXFCSA-N 1 3 322.497 2.129 20 0 DEADHO [NH3+]CCN(Cc1ccccc1)C(=O)C[C@H]1NCc2ccccc21 ZINC000662551872 540331997 /nfs/dbraw/zinc/33/19/97/540331997.db2.gz HIGJCFNPYCMBFM-GOSISDBHSA-N 1 3 309.413 2.209 20 0 DEADHO CC1(C[N@@H+]2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)CCC1 ZINC000663512854 540340415 /nfs/dbraw/zinc/34/04/15/540340415.db2.gz OMDCNUVJLTXDTB-OAHLLOKOSA-N 1 3 317.481 2.189 20 0 DEADHO CC1(C[N@H+]2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)CCC1 ZINC000663512854 540340417 /nfs/dbraw/zinc/34/04/17/540340417.db2.gz OMDCNUVJLTXDTB-OAHLLOKOSA-N 1 3 317.481 2.189 20 0 DEADHO CCN(C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)[C@H]1CCN(CC)C1 ZINC000664395650 540344672 /nfs/dbraw/zinc/34/46/72/540344672.db2.gz HVAJETCVNAVTOQ-IRXDYDNUSA-N 1 3 324.513 2.090 20 0 DEADHO CCN(C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)[C@H]1CCN(CC)C1 ZINC000664395650 540344676 /nfs/dbraw/zinc/34/46/76/540344676.db2.gz HVAJETCVNAVTOQ-IRXDYDNUSA-N 1 3 324.513 2.090 20 0 DEADHO Fc1ccc(-n2cc(CN[C@@H]3CC34CC[NH2+]CC4)cn2)cc1 ZINC000666951987 540369037 /nfs/dbraw/zinc/36/90/37/540369037.db2.gz BBHCYAFQEJDHSQ-MRXNPFEDSA-N 1 3 300.381 2.243 20 0 DEADHO COc1cc2c(cc1CN[C@H]1CC13CC[NH2+]CC3)O[C@@H](C)C2 ZINC000666952033 540369048 /nfs/dbraw/zinc/36/90/48/540369048.db2.gz CLARDAMUPGIACE-SJCJKPOMSA-N 1 3 302.418 2.250 20 0 DEADHO C[C@@H](CC(=O)N1CCCCCC1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995158 540377125 /nfs/dbraw/zinc/37/71/25/540377125.db2.gz DYYYWDACFRTPTF-JKSUJKDBSA-N 1 3 307.482 2.432 20 0 DEADHO C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995158 540377127 /nfs/dbraw/zinc/37/71/27/540377127.db2.gz DYYYWDACFRTPTF-JKSUJKDBSA-N 1 3 307.482 2.432 20 0 DEADHO COC(=O)c1cccc(OCCN2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000593733271 358132391 /nfs/dbraw/zinc/13/23/91/358132391.db2.gz KUFOYDXVMRWBPQ-PBHICJAKSA-N 1 3 320.433 2.301 20 0 DEADHO COC(=O)c1cccc(OCCN2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000593733273 358132635 /nfs/dbraw/zinc/13/26/35/358132635.db2.gz KUFOYDXVMRWBPQ-WMLDXEAASA-N 1 3 320.433 2.301 20 0 DEADHO CCO[C@@H](CC[NH+](C)C)CNCc1ccc(N(C)C(C)C)nc1 ZINC000276672573 213038214 /nfs/dbraw/zinc/03/82/14/213038214.db2.gz YZEDNROLYSXQGF-KRWDZBQOSA-N 1 3 322.497 2.373 20 0 DEADHO NCc1cccc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000667736595 540517467 /nfs/dbraw/zinc/51/74/67/540517467.db2.gz KQEBOLODQLQDNH-INIZCTEOSA-N 1 3 316.449 2.485 20 0 DEADHO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000667741431 540518573 /nfs/dbraw/zinc/51/85/73/540518573.db2.gz NMUZFDYBYRSDHP-MRXNPFEDSA-N 1 3 316.449 2.328 20 0 DEADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000667779177 540524637 /nfs/dbraw/zinc/52/46/37/540524637.db2.gz KAOMZAWOEYUZIO-INIZCTEOSA-N 1 3 316.449 2.402 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)Nc2cccc(CN)c2)CC1 ZINC000667727732 540515299 /nfs/dbraw/zinc/51/52/99/540515299.db2.gz HRTLZUGJFCNYSA-UHFFFAOYSA-N 1 3 304.438 2.389 20 0 DEADHO CN(C)CCOc1ccc(CC[NH2+][C@H]2CO[C@H](C3CC3)C2)cc1 ZINC000667847685 540539469 /nfs/dbraw/zinc/53/94/69/540539469.db2.gz SUKUJPGFZLICKT-MJGOQNOKSA-N 1 3 318.461 2.327 20 0 DEADHO COCCc1ccc(OC[C@@H](C)[NH2+]CC2=CCN(C)CC2)cc1 ZINC000667924151 540550472 /nfs/dbraw/zinc/55/04/72/540550472.db2.gz GQVUZUYIXDUBDB-MRXNPFEDSA-N 1 3 318.461 2.494 20 0 DEADHO C[C@H](NCC1=CC[NH2+]CC1)c1cccc(N2CCOC2=O)c1 ZINC000497256462 283457846 /nfs/dbraw/zinc/45/78/46/283457846.db2.gz FWUDXJBUVHYRLP-ZDUSSCGKSA-N 1 3 301.390 2.214 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1nccn1C(C)C ZINC000668160244 540601623 /nfs/dbraw/zinc/60/16/23/540601623.db2.gz WWYIODCYZDBOJH-KRWDZBQOSA-N 1 3 321.513 2.312 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1nccn1C(C)C ZINC000668160244 540601625 /nfs/dbraw/zinc/60/16/25/540601625.db2.gz WWYIODCYZDBOJH-KRWDZBQOSA-N 1 3 321.513 2.312 20 0 DEADHO C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1cccc(OCCN(C)C)c1 ZINC000187679800 200144242 /nfs/dbraw/zinc/14/42/42/200144242.db2.gz QEXYRMGJEQNDCB-XKQJLSEDSA-N 1 3 306.450 2.437 20 0 DEADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000237565546 202286054 /nfs/dbraw/zinc/28/60/54/202286054.db2.gz XPJGDDVICYOHOC-NXHRZFHOSA-N 1 3 315.461 2.107 20 0 DEADHO c1cc(CN2CCC(C[NH2+]CC[C@H]3CCOC3)CC2)ccn1 ZINC000668511206 540676131 /nfs/dbraw/zinc/67/61/31/540676131.db2.gz DGYTXROWUXMDJB-SFHVURJKSA-N 1 3 303.450 2.310 20 0 DEADHO NC1(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000237927327 202393959 /nfs/dbraw/zinc/39/39/59/202393959.db2.gz JEEKITAFQAIKEY-UHFFFAOYSA-N 1 3 301.434 2.170 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)C1 ZINC000601274059 359990484 /nfs/dbraw/zinc/99/04/84/359990484.db2.gz HDHBUIWNLLYBHH-BRWVUGGUSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1ccc(OCCN(C)C)cc1 ZINC000189336750 200384404 /nfs/dbraw/zinc/38/44/04/200384404.db2.gz FTPKPOJRSDCMMB-INMHGKMJSA-N 1 3 306.450 2.439 20 0 DEADHO C[C@H]1C[C@H](CN)C[N@@H+]1CCC(=O)NCc1ccccc1Cl ZINC000442752983 238069860 /nfs/dbraw/zinc/06/98/60/238069860.db2.gz FSQNRINXSNPBBV-QWHCGFSZSA-N 1 3 309.841 2.015 20 0 DEADHO C[C@H]1C[C@H](CN)C[N@H+]1CCC(=O)NCc1ccccc1Cl ZINC000442752983 238069865 /nfs/dbraw/zinc/06/98/65/238069865.db2.gz FSQNRINXSNPBBV-QWHCGFSZSA-N 1 3 309.841 2.015 20 0 DEADHO C[C@H]1C[C@H](C[NH3+])CN1CCC(=O)NCc1ccccc1Cl ZINC000442752983 238069874 /nfs/dbraw/zinc/06/98/74/238069874.db2.gz FSQNRINXSNPBBV-QWHCGFSZSA-N 1 3 309.841 2.015 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCCC[NH2+]2)N(C)C)cc1 ZINC000669418970 540829505 /nfs/dbraw/zinc/82/95/05/540829505.db2.gz OYCHLNNSGOEYTB-IAGOWNOFSA-N 1 3 318.465 2.039 20 0 DEADHO CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](N)c1ccccc1 ZINC000669512546 540849505 /nfs/dbraw/zinc/84/95/05/540849505.db2.gz ZNTMTMGPUKZKBU-PMPSAXMXSA-N 1 3 301.434 2.066 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC[NH2+]C1CC1)N(C)C ZINC000669583529 540869187 /nfs/dbraw/zinc/86/91/87/540869187.db2.gz SOARGRGYZMFCNM-PBHICJAKSA-N 1 3 318.465 2.037 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000605989029 360992690 /nfs/dbraw/zinc/99/26/90/360992690.db2.gz WHBBALFSEMCUKU-IAGOWNOFSA-N 1 3 324.513 2.423 20 0 DEADHO COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc(OC)c1OC ZINC000193203810 201007583 /nfs/dbraw/zinc/00/75/83/201007583.db2.gz BPEMUFWKLLUMMG-GOOCMWNKSA-N 1 3 320.433 2.427 20 0 DEADHO CN(Cc1cnc(C2CC2)o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000628279154 366790648 /nfs/dbraw/zinc/79/06/48/366790648.db2.gz XNGWWTDPKGQFIQ-MRXNPFEDSA-N 1 3 318.465 2.152 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001120470379 781948266 /nfs/dbraw/zinc/94/82/66/781948266.db2.gz QJJZRKUJESMHFO-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001120470379 781948273 /nfs/dbraw/zinc/94/82/73/781948273.db2.gz QJJZRKUJESMHFO-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)[C@@H]1CC12CC2 ZINC000527857096 283727310 /nfs/dbraw/zinc/72/73/10/283727310.db2.gz ZSGDXWWUMQUJLK-AEFFLSMTSA-N 1 3 314.477 2.372 20 0 DEADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000675197199 541301341 /nfs/dbraw/zinc/30/13/41/541301341.db2.gz LNFAKZQVZVBCJK-DLBZAZTESA-N 1 3 322.497 2.131 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000675198855 541302082 /nfs/dbraw/zinc/30/20/82/541302082.db2.gz ZHPHWXYSUYUAMM-HZPDHXFCSA-N 1 3 310.486 2.033 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000621103441 364255201 /nfs/dbraw/zinc/25/52/01/364255201.db2.gz CAWGFGBFXLYDJE-IRXDYDNUSA-N 1 3 307.482 2.099 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000621103441 364255203 /nfs/dbraw/zinc/25/52/03/364255203.db2.gz CAWGFGBFXLYDJE-IRXDYDNUSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)[C@@H]1CN(C(=O)c2ccc(Nc3ccncc3)cc2)CC[NH2+]1 ZINC000621154883 364283872 /nfs/dbraw/zinc/28/38/72/364283872.db2.gz USJDUJQGTHCBAM-SFHVURJKSA-N 1 3 324.428 2.317 20 0 DEADHO C[C@@H](NC(=O)N1CCCN(C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000288190677 296061419 /nfs/dbraw/zinc/06/14/19/296061419.db2.gz QCXAGCMEEIPDCO-NVXWUHKLSA-N 1 3 318.465 2.025 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)CC[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000621642229 364486843 /nfs/dbraw/zinc/48/68/43/364486843.db2.gz IIIKKPSOVPQEIY-FUHWJXTLSA-N 1 3 317.477 2.494 20 0 DEADHO C[C@@H]1CC[N@H+](Cc2ccc(OCCN(C)C)cc2)C[C@H]1CO ZINC000621737614 364532751 /nfs/dbraw/zinc/53/27/51/364532751.db2.gz TWXCHZQWKUBGST-WBVHZDCISA-N 1 3 306.450 2.077 20 0 DEADHO C[C@@H]1CC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C[C@H]1CO ZINC000621737614 364532755 /nfs/dbraw/zinc/53/27/55/364532755.db2.gz TWXCHZQWKUBGST-WBVHZDCISA-N 1 3 306.450 2.077 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000622096099 364661401 /nfs/dbraw/zinc/66/14/01/364661401.db2.gz VUEOIDCOGVLQAS-JKSUJKDBSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000622096099 364661404 /nfs/dbraw/zinc/66/14/04/364661404.db2.gz VUEOIDCOGVLQAS-JKSUJKDBSA-N 1 3 322.497 2.129 20 0 DEADHO CN[C@H](CC(C)(C)C)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000449138169 240106732 /nfs/dbraw/zinc/10/67/32/240106732.db2.gz HHZVJVMILRCDCW-JKSUJKDBSA-N 1 3 309.498 2.391 20 0 DEADHO CN[C@H](CC(C)(C)C)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000449138169 240106748 /nfs/dbraw/zinc/10/67/48/240106748.db2.gz HHZVJVMILRCDCW-JKSUJKDBSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH3+])[C@H](c1ccccc1)N(C)C ZINC000424481129 296086604 /nfs/dbraw/zinc/08/66/04/296086604.db2.gz QQVLNHPKRFFEBD-MWQQHZPXSA-N 1 3 318.465 2.247 20 0 DEADHO Cc1[nH]c2ccccc2c1CCNC[C@H](O)C[NH+]1CCCC1 ZINC000629559181 367250682 /nfs/dbraw/zinc/25/06/82/367250682.db2.gz JDLQCNNSDKMVSL-HNNXBMFYSA-N 1 3 301.434 2.065 20 0 DEADHO CC(C)c1ccccc1OCC[NH2+]C[C@@H](O)CN1CCCC1 ZINC000629559208 367251254 /nfs/dbraw/zinc/25/12/54/367251254.db2.gz ARIYQXSHZFIOCU-MRXNPFEDSA-N 1 3 306.450 2.235 20 0 DEADHO O[C@H](CNCCc1c[nH]c2cc(Cl)ccc12)C[NH+]1CCCC1 ZINC000629558713 367251811 /nfs/dbraw/zinc/25/18/11/367251811.db2.gz MAGQPIFVQQUOFD-OAHLLOKOSA-N 1 3 321.852 2.410 20 0 DEADHO CN(CCOCC[NH3+])Cc1ccc(OCc2ccccn2)cc1 ZINC000629578109 367258109 /nfs/dbraw/zinc/25/81/09/367258109.db2.gz MJMMSUKSRZRRJS-UHFFFAOYSA-N 1 3 315.417 2.068 20 0 DEADHO O[C@@H](CNCC1(Cc2ccc(F)cc2)CC1)C[NH+]1CCCC1 ZINC000629575744 367258460 /nfs/dbraw/zinc/25/84/60/367258460.db2.gz QJFINXGZKSGENC-KRWDZBQOSA-N 1 3 306.425 2.195 20 0 DEADHO O[C@H](C[NH2+]CC1(c2c(F)cccc2F)CCC1)CN1CCCC1 ZINC000629579183 367258854 /nfs/dbraw/zinc/25/88/54/367258854.db2.gz BEPMQIUFBKNYEH-CQSZACIVSA-N 1 3 324.415 2.433 20 0 DEADHO O[C@H](CN[C@H]1CCO[C@H](c2ccc(F)cc2)C1)C[NH+]1CCCC1 ZINC000629575472 367259331 /nfs/dbraw/zinc/25/93/31/367259331.db2.gz SFPAVACJQUTVEJ-KSZLIROESA-N 1 3 322.424 2.092 20 0 DEADHO COc1ccc2c(c1)CC[C@H]2[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000631626164 368315972 /nfs/dbraw/zinc/31/59/72/368315972.db2.gz UZYVBMMQNCXHPZ-GOSISDBHSA-N 1 3 317.477 2.298 20 0 DEADHO C[C@H](c1ccncc1)[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000677905102 541646075 /nfs/dbraw/zinc/64/60/75/541646075.db2.gz NFNPAUUQCFJETH-NUJGCVRESA-N 1 3 302.466 2.100 20 0 DEADHO C[C@H](c1ccncc1)[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000677905102 541646078 /nfs/dbraw/zinc/64/60/78/541646078.db2.gz NFNPAUUQCFJETH-NUJGCVRESA-N 1 3 302.466 2.100 20 0 DEADHO CC(C)Cc1ccc(C[N@@H+]2CC[C@@H](n3cc(CN)nn3)C2)cc1 ZINC000631845980 368422821 /nfs/dbraw/zinc/42/28/21/368422821.db2.gz PIHQOWSLBMWYHT-GOSISDBHSA-N 1 3 313.449 2.382 20 0 DEADHO CC(C)Cc1ccc(C[N@H+]2CC[C@@H](n3cc(CN)nn3)C2)cc1 ZINC000631845980 368422826 /nfs/dbraw/zinc/42/28/26/368422826.db2.gz PIHQOWSLBMWYHT-GOSISDBHSA-N 1 3 313.449 2.382 20 0 DEADHO CN1CCCN(CCC[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000678074324 541674317 /nfs/dbraw/zinc/67/43/17/541674317.db2.gz GAHJVQALQKZHLI-RTBURBONSA-N 1 3 301.478 2.407 20 0 DEADHO C[C@@H](C(=O)N1CCN(C2CC2)C[C@H](C)C1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000452168581 244000223 /nfs/dbraw/zinc/00/02/23/244000223.db2.gz FPOQKAVGRJLWFM-VGWMRTNUSA-N 1 3 307.482 2.190 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)CC[C@H]2CC[NH2+]C2)CN1Cc1ccccc1 ZINC000261914889 203151068 /nfs/dbraw/zinc/15/10/68/203151068.db2.gz WYCBTDZGHWZRMS-RYRKJORJSA-N 1 3 315.461 2.155 20 0 DEADHO CN(C)Cc1cccc(NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)c1 ZINC000262027398 203178385 /nfs/dbraw/zinc/17/83/85/203178385.db2.gz BDIKIVCHEQIUJU-MAUKXSAKSA-N 1 3 301.434 2.467 20 0 DEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)[C@H](N)Cc2ccccc2)C1 ZINC000262124357 203206594 /nfs/dbraw/zinc/20/65/94/203206594.db2.gz JETCXJWTGVRWAT-FUHWJXTLSA-N 1 3 317.477 2.185 20 0 DEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@H](N)Cc2ccccc2)C1 ZINC000262124357 203206597 /nfs/dbraw/zinc/20/65/97/203206597.db2.gz JETCXJWTGVRWAT-FUHWJXTLSA-N 1 3 317.477 2.185 20 0 DEADHO C[C@H](C(=O)Nc1ccc(OCC[NH3+])cc1)[C@H](N)c1ccccc1 ZINC000262236124 203236565 /nfs/dbraw/zinc/23/65/65/203236565.db2.gz ALFLWJQVFIQJNW-GUYCJALGSA-N 1 3 313.401 2.299 20 0 DEADHO CCCN(C(=O)CC[NH2+]C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000262331728 203263842 /nfs/dbraw/zinc/26/38/42/203263842.db2.gz GVNGAOLEXPADFC-GOSISDBHSA-N 1 3 317.477 2.499 20 0 DEADHO CC(C)[C@H](C(=O)N1CCN(C2CC2)C[C@@H](C)C1)[NH+]1CCCCC1 ZINC000452567455 244389162 /nfs/dbraw/zinc/38/91/62/244389162.db2.gz DACVYCOFUAYKJA-SJLPKXTDSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000262651639 203365188 /nfs/dbraw/zinc/36/51/88/203365188.db2.gz RGQXLYAYIXFXIF-IMJJTQAJSA-N 1 3 303.450 2.359 20 0 DEADHO C[NH+](C)CCOc1ccc(CCNCc2ccc(F)cn2)cc1 ZINC000529538151 284205710 /nfs/dbraw/zinc/20/57/10/284205710.db2.gz LIHGNFKFYFQWAD-UHFFFAOYSA-N 1 3 317.408 2.493 20 0 DEADHO CN1CCN(CC[NH2+]Cc2ccc3ncccc3c2)CC1(C)C ZINC000282512670 217053817 /nfs/dbraw/zinc/05/38/17/217053817.db2.gz XMXNPAJIMUGUJL-UHFFFAOYSA-N 1 3 312.461 2.350 20 0 DEADHO O=C1[C@H](N2CCC([C@H]3CC[NH2+]C3)CC2)CCN1C1CCCCC1 ZINC000530222604 284377700 /nfs/dbraw/zinc/37/77/00/284377700.db2.gz SBXHOGJERIFQKA-FUHWJXTLSA-N 1 3 319.493 2.242 20 0 DEADHO C[C@H](CNC(=O)NCCCC[N@H+](C)C1CC1)N1CCC(C)CC1 ZINC000454640548 246016094 /nfs/dbraw/zinc/01/60/94/246016094.db2.gz KJUQFJDCWDPTDU-MRXNPFEDSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H](CNC(=O)NCCCC[N@@H+](C)C1CC1)N1CCC(C)CC1 ZINC000454640548 246016104 /nfs/dbraw/zinc/01/61/04/246016104.db2.gz KJUQFJDCWDPTDU-MRXNPFEDSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCCCCC[NH+]1CCCC1 ZINC000454679059 246061073 /nfs/dbraw/zinc/06/10/73/246061073.db2.gz URZSASHATDWNBQ-DOTOQJQBSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H](NC(=O)N1CCN(C2CC2)C[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000458527115 248357720 /nfs/dbraw/zinc/35/77/20/248357720.db2.gz SNDDNBZQZYVSTE-HUUCEWRRSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)C1CCSCC1 ZINC000681738830 542198334 /nfs/dbraw/zinc/19/83/34/542198334.db2.gz OHFISQWCKHVJOG-GDBMZVCRSA-N 1 3 311.539 2.276 20 0 DEADHO CN(Cc1ccccc1)C1(CNC(=O)/C=C/C[NH+](C)C)CCC1 ZINC000493420804 249293696 /nfs/dbraw/zinc/29/36/96/249293696.db2.gz OKPVRSSUDLUAFV-YRNVUSSQSA-N 1 3 315.461 2.275 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+](CC(C)(C)O)C2CC2)cc1 ZINC000681753320 542201055 /nfs/dbraw/zinc/20/10/55/542201055.db2.gz RJDWWOSLGVWOAZ-UHFFFAOYSA-N 1 3 306.450 2.362 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+](CC(C)(C)O)C2CC2)cc1 ZINC000681753320 542201058 /nfs/dbraw/zinc/20/10/58/542201058.db2.gz RJDWWOSLGVWOAZ-UHFFFAOYSA-N 1 3 306.450 2.362 20 0 DEADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1cccc(N2CCOC2=O)c1 ZINC000493697041 249364964 /nfs/dbraw/zinc/36/49/64/249364964.db2.gz ZDSYTSQCUXJONH-CZUORRHYSA-N 1 3 303.406 2.073 20 0 DEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1cccc(N2CCOC2=O)c1 ZINC000493697041 249364966 /nfs/dbraw/zinc/36/49/66/249364966.db2.gz ZDSYTSQCUXJONH-CZUORRHYSA-N 1 3 303.406 2.073 20 0 DEADHO CC(C)[NH+](CCNC(=O)NCCN1CCC[C@H](C)C1)C(C)C ZINC000043063758 183333684 /nfs/dbraw/zinc/33/36/84/183333684.db2.gz QSJGMNDWOWHELN-INIZCTEOSA-N 1 3 312.502 2.136 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)CN(C)C ZINC000358533307 284688378 /nfs/dbraw/zinc/68/83/78/284688378.db2.gz UXCOFSGRNGLFPQ-HRCADAONSA-N 1 3 312.502 2.136 20 0 DEADHO CCN1CCO[C@@H](CNC2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000284413463 218017336 /nfs/dbraw/zinc/01/73/36/218017336.db2.gz DECWYOMYHJFFNJ-OALUTQOASA-N 1 3 317.477 2.132 20 0 DEADHO C[C@H](CNC(=O)NC[C@@H](c1ccccc1)N(C)C)[N@H+](C)C1CC1 ZINC000105075243 194068705 /nfs/dbraw/zinc/06/87/05/194068705.db2.gz BXEGXHUSXJZJKR-PBHICJAKSA-N 1 3 318.465 2.071 20 0 DEADHO C[C@H](CNC(=O)NC[C@@H](c1ccccc1)N(C)C)[N@@H+](C)C1CC1 ZINC000105075243 194068706 /nfs/dbraw/zinc/06/87/06/194068706.db2.gz BXEGXHUSXJZJKR-PBHICJAKSA-N 1 3 318.465 2.071 20 0 DEADHO C[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCCCC1)N(C)C1CC1 ZINC000105081513 194070496 /nfs/dbraw/zinc/07/04/96/194070496.db2.gz FOBLYUVYBXAAIC-AWEZNQCLSA-N 1 3 310.486 2.033 20 0 DEADHO CN1CCN(CC[C@@H]2CCC[N@@H+]2C)C[C@@H]1Cc1ccccc1 ZINC000284739188 218156401 /nfs/dbraw/zinc/15/64/01/218156401.db2.gz KPXKZPBGSRIMJB-OALUTQOASA-N 1 3 301.478 2.329 20 0 DEADHO CN1CCN(CC[C@@H]2CCC[N@H+]2C)C[C@@H]1Cc1ccccc1 ZINC000284739188 218156403 /nfs/dbraw/zinc/15/64/03/218156403.db2.gz KPXKZPBGSRIMJB-OALUTQOASA-N 1 3 301.478 2.329 20 0 DEADHO CC[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(OC)c(OC)c1 ZINC000268887284 207057439 /nfs/dbraw/zinc/05/74/39/207057439.db2.gz ZBKJHZFJRRREKG-HOTGVXAUSA-N 1 3 322.449 2.201 20 0 DEADHO COc1ccc2c(c1)[C@@H]([NH2+]CC1(O)CCN(C)CC1)CCC2 ZINC000269065672 207213422 /nfs/dbraw/zinc/21/34/22/207213422.db2.gz VKFQGVDZWRFCFV-KRWDZBQOSA-N 1 3 304.434 2.119 20 0 DEADHO CC(C)C[C@@H](C[NH3+])NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000269217735 207337802 /nfs/dbraw/zinc/33/78/02/207337802.db2.gz PZXJPKXJRGGCHQ-SFHVURJKSA-N 1 3 317.477 2.388 20 0 DEADHO Cc1cc(C)c(CC(=O)N(CCN(C)C)CC[NH+](C)C)c(C)c1 ZINC000537011722 284982324 /nfs/dbraw/zinc/98/23/24/284982324.db2.gz LFBXMVVLSRTTQE-UHFFFAOYSA-N 1 3 319.493 2.106 20 0 DEADHO C[NH2+][C@@H]1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)C1 ZINC000422706423 532956043 /nfs/dbraw/zinc/95/60/43/532956043.db2.gz DZIOAVAMDRICCB-QGZVFWFLSA-N 1 3 315.461 2.109 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000157874783 197222126 /nfs/dbraw/zinc/22/21/26/197222126.db2.gz SNTGNQPYPMRHNW-DOMZBBRYSA-N 1 3 315.417 2.352 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000157278343 197176011 /nfs/dbraw/zinc/17/60/11/197176011.db2.gz SOSZQYJCJRFJPY-QZTJIDSGSA-N 1 3 315.461 2.305 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000157278343 197176013 /nfs/dbraw/zinc/17/60/13/197176013.db2.gz SOSZQYJCJRFJPY-QZTJIDSGSA-N 1 3 315.461 2.305 20 0 DEADHO CCNC(=O)c1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1 ZINC000156509425 197119106 /nfs/dbraw/zinc/11/91/06/197119106.db2.gz LLBGFHPWAJOQEG-JJRVBVJISA-N 1 3 303.450 2.255 20 0 DEADHO COC[C@@H](CC(C)C)[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000360945805 285217693 /nfs/dbraw/zinc/21/76/93/285217693.db2.gz GTSFPDJTUVBZRT-QGZVFWFLSA-N 1 3 311.514 2.196 20 0 DEADHO C[C@]1(C(=O)N[C@H](CN)c2ccc3ccccc3c2)CCC[NH2+]C1 ZINC000294736291 224201816 /nfs/dbraw/zinc/20/18/16/224201816.db2.gz DQKDOIDQFNKGEP-MJGOQNOKSA-N 1 3 311.429 2.346 20 0 DEADHO COc1ccc([C@H](NCCN2CCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422774002 533193322 /nfs/dbraw/zinc/19/33/22/533193322.db2.gz ZQIJOMNLMZYREI-ROUUACIJSA-N 1 3 303.450 2.174 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000340940372 285258320 /nfs/dbraw/zinc/25/83/20/285258320.db2.gz RCXZRUCQLGTKJQ-OWCLPIDISA-N 1 3 310.486 2.033 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000340940372 285258323 /nfs/dbraw/zinc/25/83/23/285258323.db2.gz RCXZRUCQLGTKJQ-OWCLPIDISA-N 1 3 310.486 2.033 20 0 DEADHO CCN(C[C@H](O)C[N@H+](C)C1CC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000289510989 221030333 /nfs/dbraw/zinc/03/03/33/221030333.db2.gz ALERDDDSMXVEBK-MAUKXSAKSA-N 1 3 320.477 2.403 20 0 DEADHO CCN(C[C@H](O)C[N@@H+](C)C1CC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000289510989 221030337 /nfs/dbraw/zinc/03/03/37/221030337.db2.gz ALERDDDSMXVEBK-MAUKXSAKSA-N 1 3 320.477 2.403 20 0 DEADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N(CCN(C)C)Cc1cccs1 ZINC000289979576 221357337 /nfs/dbraw/zinc/35/73/37/221357337.db2.gz QNCMDYYTYMAIEM-UKRRQHHQSA-N 1 3 309.479 2.026 20 0 DEADHO CC1(C)CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H]1O ZINC000684147892 542557551 /nfs/dbraw/zinc/55/75/51/542557551.db2.gz AFKCYUJOSXCPCH-GOSISDBHSA-N 1 3 318.461 2.364 20 0 DEADHO CC1(C)CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H]1O ZINC000684147893 542557578 /nfs/dbraw/zinc/55/75/78/542557578.db2.gz AFKCYUJOSXCPCH-SFHVURJKSA-N 1 3 318.461 2.364 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000561230927 291957218 /nfs/dbraw/zinc/95/72/18/291957218.db2.gz GATHZXPVEDQWDH-WBVHZDCISA-N 1 3 318.465 2.032 20 0 DEADHO C[C@@H](C(=O)NCC1CC[NH+](C2CC2)CC1)[C@H](N)c1ccccc1 ZINC000423911614 533255127 /nfs/dbraw/zinc/25/51/27/533255127.db2.gz ITNKYWXVXPBIEF-KDOFPFPSSA-N 1 3 315.461 2.313 20 0 DEADHO CC(C)[NH+]1CCC(NC[C@@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000562671139 292001588 /nfs/dbraw/zinc/00/15/88/292001588.db2.gz IZRWXQXYCNAHKO-QGZVFWFLSA-N 1 3 313.449 2.399 20 0 DEADHO C[C@@H]1CN(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CCN(C2CCC2)C1 ZINC000562814970 292012643 /nfs/dbraw/zinc/01/26/43/292012643.db2.gz GVKYBDUUNWDFGQ-UXLLHSPISA-N 1 3 322.497 2.020 20 0 DEADHO CC(C)C[C@@H](N)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000353750548 132998723 /nfs/dbraw/zinc/99/87/23/132998723.db2.gz BHBYFPWHBBSYQU-QGZVFWFLSA-N 1 3 309.498 2.474 20 0 DEADHO CC(C)[NH+](CCN(C)C(=O)NC1CCN(C2CC2)CC1)C(C)C ZINC000355793193 133048466 /nfs/dbraw/zinc/04/84/66/133048466.db2.gz XDDYPALGUTUDBG-UHFFFAOYSA-N 1 3 324.513 2.373 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C2=CCN(C)CC2)C[C@H]1C ZINC000358101830 133121035 /nfs/dbraw/zinc/12/10/35/133121035.db2.gz HHKLRQDSYOIHSO-INMHGKMJSA-N 1 3 322.497 2.151 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C2=CCN(C)CC2)C[C@H]1C ZINC000358101830 133121036 /nfs/dbraw/zinc/12/10/36/133121036.db2.gz HHKLRQDSYOIHSO-INMHGKMJSA-N 1 3 322.497 2.151 20 0 DEADHO NCc1cn([C@@H]2CCC[N@H+](Cc3cccc(C4CC4)c3)C2)nn1 ZINC000562955365 292019369 /nfs/dbraw/zinc/01/93/69/292019369.db2.gz AOHLWKAJWRTZSM-GOSISDBHSA-N 1 3 311.433 2.451 20 0 DEADHO NCc1cn([C@@H]2CCC[N@@H+](Cc3cccc(C4CC4)c3)C2)nn1 ZINC000562955365 292019370 /nfs/dbraw/zinc/01/93/70/292019370.db2.gz AOHLWKAJWRTZSM-GOSISDBHSA-N 1 3 311.433 2.451 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000362713139 133247072 /nfs/dbraw/zinc/24/70/72/133247072.db2.gz ATJXXDQYHKKDCW-MAUKXSAKSA-N 1 3 317.477 2.294 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000362713139 133247073 /nfs/dbraw/zinc/24/70/73/133247073.db2.gz ATJXXDQYHKKDCW-MAUKXSAKSA-N 1 3 317.477 2.294 20 0 DEADHO C[C@H]1C[C@H](N(C)C(=O)c2ccccc2CN(C)C)CC[N@@H+]1C ZINC000362824799 133253395 /nfs/dbraw/zinc/25/33/95/133253395.db2.gz DXPPIYMZEJCDOV-GOEBONIOSA-N 1 3 303.450 2.303 20 0 DEADHO C[C@H]1C[C@H](N(C)C(=O)c2ccccc2CN(C)C)CC[N@H+]1C ZINC000362824799 133253396 /nfs/dbraw/zinc/25/33/96/133253396.db2.gz DXPPIYMZEJCDOV-GOEBONIOSA-N 1 3 303.450 2.303 20 0 DEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2ccccc2F)C1 ZINC000562989139 292022155 /nfs/dbraw/zinc/02/21/55/292022155.db2.gz GAIYRCRRMDOHAG-ZNMIVQPWSA-N 1 3 310.413 2.028 20 0 DEADHO C[C@H](O)c1ncc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)s1 ZINC000377881867 133350173 /nfs/dbraw/zinc/35/01/73/133350173.db2.gz AIEJHYLFNKNSLR-JSGCOSHPSA-N 1 3 309.479 2.360 20 0 DEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000372484537 133355319 /nfs/dbraw/zinc/35/53/19/133355319.db2.gz KAPQRGCGPHVDLD-QZTJIDSGSA-N 1 3 317.477 2.055 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000563092510 292030943 /nfs/dbraw/zinc/03/09/43/292030943.db2.gz OICLYCKTDNTEML-ZOBUZTSGSA-N 1 3 318.465 2.076 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000563092502 292030978 /nfs/dbraw/zinc/03/09/78/292030978.db2.gz OICLYCKTDNTEML-UXLLHSPISA-N 1 3 318.465 2.076 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC000563621298 292067000 /nfs/dbraw/zinc/06/70/00/292067000.db2.gz XHSQHEDQEOYZRI-GOSISDBHSA-N 1 3 315.461 2.112 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CNCc2ccccc21)[N@@H+]1CCCC[C@H]1C ZINC000563716551 292070804 /nfs/dbraw/zinc/07/08/04/292070804.db2.gz MLQRHRWWUSGQKQ-RKVPGOIHSA-N 1 3 315.461 2.253 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CNCc2ccccc21)[N@H+]1CCCC[C@H]1C ZINC000563716551 292070805 /nfs/dbraw/zinc/07/08/05/292070805.db2.gz MLQRHRWWUSGQKQ-RKVPGOIHSA-N 1 3 315.461 2.253 20 0 DEADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@H](N)c1ccccc1 ZINC000563875321 292077735 /nfs/dbraw/zinc/07/77/35/292077735.db2.gz KKSNHLFTPUPHJV-IRXDYDNUSA-N 1 3 318.465 2.202 20 0 DEADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@H](N)c1ccccc1 ZINC000563875321 292077736 /nfs/dbraw/zinc/07/77/36/292077736.db2.gz KKSNHLFTPUPHJV-IRXDYDNUSA-N 1 3 318.465 2.202 20 0 DEADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000564431183 292095317 /nfs/dbraw/zinc/09/53/17/292095317.db2.gz UUTDDQRUUSDBFK-ZOBUZTSGSA-N 1 3 322.497 2.068 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC3(C)C)CC2)CC1 ZINC000564664893 292104390 /nfs/dbraw/zinc/10/43/90/292104390.db2.gz CKSCBNOMZOQLAZ-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000166322187 144803248 /nfs/dbraw/zinc/80/32/48/144803248.db2.gz VFOVVQWUYQGWPF-ROUUACIJSA-N 1 3 315.461 2.248 20 0 DEADHO Cc1ccc(C(=O)NCC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1F ZINC000192650167 145076335 /nfs/dbraw/zinc/07/63/35/145076335.db2.gz CYPBRVOZNHPUQZ-MQVJKMGUSA-N 1 3 319.424 2.079 20 0 DEADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000246269703 145096637 /nfs/dbraw/zinc/09/66/37/145096637.db2.gz LSOZBPZVQUCSCA-ZWKOTPCHSA-N 1 3 315.461 2.157 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246552322 145106519 /nfs/dbraw/zinc/10/65/19/145106519.db2.gz XHYCYERNJCOGIV-BPQIPLTHSA-N 1 3 319.493 2.336 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246552322 145106520 /nfs/dbraw/zinc/10/65/20/145106520.db2.gz XHYCYERNJCOGIV-BPQIPLTHSA-N 1 3 319.493 2.336 20 0 DEADHO C[C@@H]1CCN(C(=O)C[C@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000246561413 145107174 /nfs/dbraw/zinc/10/71/74/145107174.db2.gz ULFXERJTYLGXKF-SJLPKXTDSA-N 1 3 315.461 2.252 20 0 DEADHO C[C@@H]1CN(C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H](C)O1 ZINC000249037065 145176165 /nfs/dbraw/zinc/17/61/65/145176165.db2.gz SXYVNLXKIHHHOQ-DJSILETISA-N 1 3 309.498 2.089 20 0 DEADHO C[C@@H]1CN(C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H](C)O1 ZINC000249037065 145176167 /nfs/dbraw/zinc/17/61/67/145176167.db2.gz SXYVNLXKIHHHOQ-DJSILETISA-N 1 3 309.498 2.089 20 0 DEADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)CCC1CC[NH2+]CC1 ZINC000261547801 145207159 /nfs/dbraw/zinc/20/71/59/145207159.db2.gz MTUUZDGLGFWDFY-INIZCTEOSA-N 1 3 317.477 2.403 20 0 DEADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1coc2ccccc12 ZINC000261931386 145243146 /nfs/dbraw/zinc/24/31/46/145243146.db2.gz CUNTWJVTWJAHJP-HNNXBMFYSA-N 1 3 315.417 2.252 20 0 DEADHO Cc1ccc2cc(CN3CC[C@H](N4CC[NH2+]CC4)C3)ccc2n1 ZINC000261942540 145245043 /nfs/dbraw/zinc/24/50/43/145245043.db2.gz UZWCSWTVANAEEC-SFHVURJKSA-N 1 3 310.445 2.023 20 0 DEADHO CC[NH+](CC)CC1CCN(C(=O)c2ccc3c(c2)CNC3)CC1 ZINC000261976622 145248207 /nfs/dbraw/zinc/24/82/07/145248207.db2.gz ZQSLZVSNRGYTGS-UHFFFAOYSA-N 1 3 315.461 2.484 20 0 DEADHO C[NH2+]CCC1CCN([C@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000262022172 145253756 /nfs/dbraw/zinc/25/37/56/145253756.db2.gz YGYXGPHTCJPNFF-KRWDZBQOSA-N 1 3 303.450 2.137 20 0 DEADHO COc1ccc(CN2CCC[C@H](CC[NH3+])C2)c(OC)c1OC ZINC000262037501 145255530 /nfs/dbraw/zinc/25/55/30/145255530.db2.gz ZUOILUMGSXVRFP-CYBMUJFWSA-N 1 3 308.422 2.273 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1CCCCN1Cc1ccccc1)C1C[NH2+]C1 ZINC000262315306 145275852 /nfs/dbraw/zinc/27/58/52/145275852.db2.gz DIURFJIVPJWJMK-CRAIPNDOSA-N 1 3 315.461 2.013 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000262477181 145286620 /nfs/dbraw/zinc/28/66/20/145286620.db2.gz JRCFVXJFMHHFPY-YOEHRIQHSA-N 1 3 303.450 2.041 20 0 DEADHO CCC[C@](C)(N)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000262712219 145301452 /nfs/dbraw/zinc/30/14/52/145301452.db2.gz RQOSZPUFZVILQX-WMZOPIPTSA-N 1 3 309.498 2.474 20 0 DEADHO c1cncc(CN2CCC(N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)c1 ZINC000346106685 146016608 /nfs/dbraw/zinc/01/66/08/146016608.db2.gz SKTSXANJXAFMJD-OALUTQOASA-N 1 3 314.477 2.262 20 0 DEADHO c1cncc(CN2CCC(N[C@H]3CC[N@H+]4CCCC[C@@H]34)CC2)c1 ZINC000346106685 146016609 /nfs/dbraw/zinc/01/66/09/146016609.db2.gz SKTSXANJXAFMJD-OALUTQOASA-N 1 3 314.477 2.262 20 0 DEADHO C[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)[C@H]1CCCO1 ZINC000346545454 146099821 /nfs/dbraw/zinc/09/98/21/146099821.db2.gz APWIFZAQYSJKKZ-CRAIPNDOSA-N 1 3 306.450 2.327 20 0 DEADHO CC[C@H]1CC[C@@H]1[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000348115314 146218993 /nfs/dbraw/zinc/21/89/93/146218993.db2.gz UQUHQVZZQPOMTB-RDJZCZTQSA-N 1 3 303.450 2.256 20 0 DEADHO CO[C@]1(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)CCOC1 ZINC000348217448 146234939 /nfs/dbraw/zinc/23/49/39/146234939.db2.gz AONXBZXDLUZIMO-NEWSRXKRSA-N 1 3 318.461 2.292 20 0 DEADHO C[C@@H]([NH2+]CCc1ccn(C)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000348253595 146242136 /nfs/dbraw/zinc/24/21/36/146242136.db2.gz KMDMAEAWNNWNHQ-AEFFLSMTSA-N 1 3 312.461 2.463 20 0 DEADHO C[C@@H](NCCc1ccn(C)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348253595 146242139 /nfs/dbraw/zinc/24/21/39/146242139.db2.gz KMDMAEAWNNWNHQ-AEFFLSMTSA-N 1 3 312.461 2.463 20 0 DEADHO C[C@@H](NCCc1ccn(C)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348253595 146242141 /nfs/dbraw/zinc/24/21/41/146242141.db2.gz KMDMAEAWNNWNHQ-AEFFLSMTSA-N 1 3 312.461 2.463 20 0 DEADHO CC[NH2+]CCCNC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000565294480 292152579 /nfs/dbraw/zinc/15/25/79/292152579.db2.gz NHQMPOWMFSTLGB-UHFFFAOYSA-N 1 3 324.513 2.332 20 0 DEADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)CC1 ZINC000349645517 146392827 /nfs/dbraw/zinc/39/28/27/146392827.db2.gz OGEYPOYBJDSRSX-HOTGVXAUSA-N 1 3 324.513 2.421 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000358417833 147130337 /nfs/dbraw/zinc/13/03/37/147130337.db2.gz FGYAQAOMBAGSNN-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000358417833 147130340 /nfs/dbraw/zinc/13/03/40/147130340.db2.gz FGYAQAOMBAGSNN-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H](c1nc(-c2cccnc2)no1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358518759 147149295 /nfs/dbraw/zinc/14/92/95/147149295.db2.gz RJGBSDYDDIXNQM-CYBMUJFWSA-N 1 3 313.405 2.268 20 0 DEADHO Cc1ccccc1NC(=O)[C@H](C)N1CCC2(C1)CC[NH2+]CC2 ZINC000358521660 147149545 /nfs/dbraw/zinc/14/95/45/147149545.db2.gz YHKOUFFVJQSMCU-HNNXBMFYSA-N 1 3 301.434 2.398 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CCN1C ZINC000565432887 292162209 /nfs/dbraw/zinc/16/22/09/292162209.db2.gz OXRFICUUITYPDS-NJAFHUGGSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000565432887 292162211 /nfs/dbraw/zinc/16/22/11/292162211.db2.gz OXRFICUUITYPDS-NJAFHUGGSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000358761539 147198975 /nfs/dbraw/zinc/19/89/75/147198975.db2.gz WVUVIIRCPIYBGQ-JKSUJKDBSA-N 1 3 324.513 2.090 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000358850554 147218286 /nfs/dbraw/zinc/21/82/86/147218286.db2.gz CSELWKGQPACJLC-DLBZAZTESA-N 1 3 321.440 2.249 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000358850554 147218287 /nfs/dbraw/zinc/21/82/87/147218287.db2.gz CSELWKGQPACJLC-DLBZAZTESA-N 1 3 321.440 2.249 20 0 DEADHO CCCCN1CCCC[C@H]1CNC(=O)c1csc(CC[NH3+])n1 ZINC000358889358 147225020 /nfs/dbraw/zinc/22/50/20/147225020.db2.gz UOEPPTOWJKDGLA-ZDUSSCGKSA-N 1 3 324.494 2.029 20 0 DEADHO COc1ccccc1[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])N1CCCC1 ZINC000565475153 292164267 /nfs/dbraw/zinc/16/42/67/292164267.db2.gz XDLUMGBFIRHYQC-BBWFWOEESA-N 1 3 303.450 2.302 20 0 DEADHO COc1ccccc1[C@H](C[NH2+][C@@H]1CCC[C@@H]1N)N1CCCC1 ZINC000565475153 292164268 /nfs/dbraw/zinc/16/42/68/292164268.db2.gz XDLUMGBFIRHYQC-BBWFWOEESA-N 1 3 303.450 2.302 20 0 DEADHO Cc1ccc(S(=O)(=O)C[C@@H](C)NCC2(C)CC[NH2+]CC2)cc1 ZINC000423316438 292171240 /nfs/dbraw/zinc/17/12/40/292171240.db2.gz ATWNTLSZNZSSGL-OAHLLOKOSA-N 1 3 324.490 2.137 20 0 DEADHO C[C@H](CNC(=O)Cc1ccc2c(c1)CCCO2)C[NH+]1CCCC1 ZINC000565661571 292175397 /nfs/dbraw/zinc/17/53/97/292175397.db2.gz VOWFNNNSTSCKTN-OAHLLOKOSA-N 1 3 316.445 2.402 20 0 DEADHO C[C@@H]1CCO[C@@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000565661505 292175551 /nfs/dbraw/zinc/17/55/51/292175551.db2.gz PFNFSFRGYHDUAE-HFTRVMKXSA-N 1 3 302.418 2.192 20 0 DEADHO C[C@@H]1CCO[C@@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000565661505 292175553 /nfs/dbraw/zinc/17/55/53/292175553.db2.gz PFNFSFRGYHDUAE-HFTRVMKXSA-N 1 3 302.418 2.192 20 0 DEADHO CN1CCC(Oc2ccc(C[NH2+]C3CCOCC3)cc2)CC1 ZINC000370261457 148000760 /nfs/dbraw/zinc/00/07/60/148000760.db2.gz MMGYRJIPPZBSHE-UHFFFAOYSA-N 1 3 304.434 2.428 20 0 DEADHO CN1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000371471084 148107365 /nfs/dbraw/zinc/10/73/65/148107365.db2.gz QSOSLMFKYBKRLH-MRXNPFEDSA-N 1 3 305.466 2.019 20 0 DEADHO CN1CC=C(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000371471084 148107367 /nfs/dbraw/zinc/10/73/67/148107367.db2.gz QSOSLMFKYBKRLH-MRXNPFEDSA-N 1 3 305.466 2.019 20 0 DEADHO CN1CCC[C@H](CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)[C@H]1c1cccs1 ZINC000372105684 148170834 /nfs/dbraw/zinc/17/08/34/148170834.db2.gz OZTBKQVXYJRSBX-NYTXWWLZSA-N 1 3 321.490 2.375 20 0 DEADHO CCc1nc(CN(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cs1 ZINC000372371029 148200124 /nfs/dbraw/zinc/20/01/24/148200124.db2.gz SSHIDDZRLJASQR-MRXNPFEDSA-N 1 3 322.522 2.306 20 0 DEADHO CC[NH+]1CCC(CNC(=O)N(C)[C@H](C)C2CCN(C)CC2)CC1 ZINC000565862027 292187283 /nfs/dbraw/zinc/18/72/83/292187283.db2.gz SBNLHBOQISASHQ-OAHLLOKOSA-N 1 3 324.513 2.090 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CCCN1CC ZINC000074345953 401735693 /nfs/dbraw/zinc/73/56/93/401735693.db2.gz ONCQMFWANYCGBD-HOTGVXAUSA-N 1 3 310.486 2.034 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1CCCN1CC ZINC000074345953 401735697 /nfs/dbraw/zinc/73/56/97/401735697.db2.gz ONCQMFWANYCGBD-HOTGVXAUSA-N 1 3 310.486 2.034 20 0 DEADHO Cc1nccn1-c1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)cn1 ZINC000126377966 401691517 /nfs/dbraw/zinc/69/15/17/401691517.db2.gz RRZPMXBFGSTBGZ-GRDNDAEWSA-N 1 3 313.449 2.394 20 0 DEADHO CCN(CC)CC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000128679532 401787522 /nfs/dbraw/zinc/78/75/22/401787522.db2.gz NEEIFYYUTJDVAN-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[NH+]1CCC(N(C)C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000130420708 401831061 /nfs/dbraw/zinc/83/10/61/401831061.db2.gz DGOFHKHKJBDQRW-CABCVRRESA-N 1 3 322.497 2.127 20 0 DEADHO CN(C)[C@@H]1CCCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000116566498 401854812 /nfs/dbraw/zinc/85/48/12/401854812.db2.gz HZNWGTDZRIFGGN-HUUCEWRRSA-N 1 3 312.502 2.088 20 0 DEADHO C(CCN1CCOC[C@@H]1C1CC1)CC[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000090008263 401978994 /nfs/dbraw/zinc/97/89/94/401978994.db2.gz GRLYNFMHDHAIDG-RTBURBONSA-N 1 3 322.493 2.378 20 0 DEADHO C(CCN1CCOC[C@@H]1C1CC1)CC[N@H+]1CCOC[C@@H]1C1CC1 ZINC000090008263 401978996 /nfs/dbraw/zinc/97/89/96/401978996.db2.gz GRLYNFMHDHAIDG-RTBURBONSA-N 1 3 322.493 2.378 20 0 DEADHO CN(C(=O)c1cccc(C[NH+]2CCCC2)c1)[C@H]1CCCN(C)C1 ZINC000151155985 402020152 /nfs/dbraw/zinc/02/01/52/402020152.db2.gz ZFIORIOVQKYYKO-SFHVURJKSA-N 1 3 315.461 2.449 20 0 DEADHO CCSc1cccc(C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000121375134 402032012 /nfs/dbraw/zinc/03/20/12/402032012.db2.gz HZGAPLSTGMXPHT-UHFFFAOYSA-N 1 3 323.506 2.364 20 0 DEADHO COc1cc(C[N@H+](C)C[C@H]2CCCN(C)C2)cc(OC)c1OC ZINC000092253829 402003241 /nfs/dbraw/zinc/00/32/41/402003241.db2.gz LIQPEKVYBNRCKX-AWEZNQCLSA-N 1 3 322.449 2.486 20 0 DEADHO COc1cc(C[N@@H+](C)C[C@H]2CCCN(C)C2)cc(OC)c1OC ZINC000092253829 402003244 /nfs/dbraw/zinc/00/32/44/402003244.db2.gz LIQPEKVYBNRCKX-AWEZNQCLSA-N 1 3 322.449 2.486 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+](C)CCCOC)CC1 ZINC000092537329 402005917 /nfs/dbraw/zinc/00/59/17/402005917.db2.gz MSQFBGAXEXMJTD-UHFFFAOYSA-N 1 3 305.466 2.297 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+](C)CCCOC)CC1 ZINC000092537329 402005921 /nfs/dbraw/zinc/00/59/21/402005921.db2.gz MSQFBGAXEXMJTD-UHFFFAOYSA-N 1 3 305.466 2.297 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC2CCN(C)CC2)C1 ZINC000097216316 402117966 /nfs/dbraw/zinc/11/79/66/402117966.db2.gz FQFYMVVPXPZOQD-GASCZTMLSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC2CCN(C)CC2)C1 ZINC000097216316 402117968 /nfs/dbraw/zinc/11/79/68/402117968.db2.gz FQFYMVVPXPZOQD-GASCZTMLSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H](C(=O)N1CCCCC1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123539519 402132849 /nfs/dbraw/zinc/13/28/49/402132849.db2.gz BXIVXYLKVWQDEY-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO CSC[C@@](C)(O)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000153618133 402157140 /nfs/dbraw/zinc/15/71/40/402157140.db2.gz DDZXGXGXXFOUOV-INIZCTEOSA-N 1 3 300.512 2.487 20 0 DEADHO CSC[C@@](C)(O)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000153618133 402157142 /nfs/dbraw/zinc/15/71/42/402157142.db2.gz DDZXGXGXXFOUOV-INIZCTEOSA-N 1 3 300.512 2.487 20 0 DEADHO C[C@H](CNC(=O)c1cccc(CN2CCCC2)c1)[NH+]1CCCC1 ZINC000068425054 402197668 /nfs/dbraw/zinc/19/76/68/402197668.db2.gz DZYVTYGHMAGBFU-MRXNPFEDSA-N 1 3 315.461 2.497 20 0 DEADHO CCN(CCNC(=O)NCCC[N@H+](C)C1CCCCC1)C1CC1 ZINC000101981453 402159817 /nfs/dbraw/zinc/15/98/17/402159817.db2.gz BXGDFSUHFRLRKZ-UHFFFAOYSA-N 1 3 324.513 2.425 20 0 DEADHO CCN(CCNC(=O)NCCC[N@@H+](C)C1CCCCC1)C1CC1 ZINC000101981453 402159820 /nfs/dbraw/zinc/15/98/20/402159820.db2.gz BXGDFSUHFRLRKZ-UHFFFAOYSA-N 1 3 324.513 2.425 20 0 DEADHO CCN(CCNC(=O)NC1CC[NH+](C(C)(C)C)CC1)C1CC1 ZINC000101984956 402159965 /nfs/dbraw/zinc/15/99/65/402159965.db2.gz WYHQIGZAFCSSEN-UHFFFAOYSA-N 1 3 310.486 2.033 20 0 DEADHO CN(CCN1CC[NH2+]CC1)Cc1ccccc1C(F)(F)F ZINC000071148732 402271071 /nfs/dbraw/zinc/27/10/71/402271071.db2.gz MXAVCKSPDPHVQI-UHFFFAOYSA-N 1 3 301.356 2.042 20 0 DEADHO CN(C)[C@H](CNC(=O)C[N@H+](C)C1CCCC1)c1ccccc1 ZINC000184568377 402276709 /nfs/dbraw/zinc/27/67/09/402276709.db2.gz FCJCOAAOACYLBQ-QGZVFWFLSA-N 1 3 303.450 2.280 20 0 DEADHO CN(C)[C@H](CNC(=O)C[N@@H+](C)C1CCCC1)c1ccccc1 ZINC000184568377 402276712 /nfs/dbraw/zinc/27/67/12/402276712.db2.gz FCJCOAAOACYLBQ-QGZVFWFLSA-N 1 3 303.450 2.280 20 0 DEADHO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)CN1CCC(C)CC1)CC2 ZINC000158897404 402313872 /nfs/dbraw/zinc/31/38/72/402313872.db2.gz AEMGFCQLZRHITG-LPHOPBHVSA-N 1 3 318.461 2.365 20 0 DEADHO C[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)N(C)C1CC1 ZINC000159102375 402317508 /nfs/dbraw/zinc/31/75/08/402317508.db2.gz ZKIDSOJWOREASO-WBVHZDCISA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000185620193 402365197 /nfs/dbraw/zinc/36/51/97/402365197.db2.gz LLDKGVCYKYBEJW-JYJNAYRXSA-N 1 3 322.497 2.175 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)[C@H](CN)c2ccccc2)CC1 ZINC000236697297 402375296 /nfs/dbraw/zinc/37/52/96/402375296.db2.gz PVKSXWNUJBJCGQ-GOSISDBHSA-N 1 3 317.477 2.357 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CN1C1CC1 ZINC000177222762 402383665 /nfs/dbraw/zinc/38/36/65/402383665.db2.gz WPZRBTOGPHSOLX-OAGGEKHMSA-N 1 3 319.493 2.382 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CN1C1CC1 ZINC000177222762 402383667 /nfs/dbraw/zinc/38/36/67/402383667.db2.gz WPZRBTOGPHSOLX-OAGGEKHMSA-N 1 3 319.493 2.382 20 0 DEADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N(C)CCN(C)C2CC2)C1 ZINC000185141748 402327907 /nfs/dbraw/zinc/32/79/07/402327907.db2.gz BOAYBRYIGDURAJ-HOTGVXAUSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H]1CCC[C@@](CNC(=O)N(C)CCN(C)C2CC2)([NH+](C)C)C1 ZINC000185214457 402335638 /nfs/dbraw/zinc/33/56/38/402335638.db2.gz MVJHLMTVUGLLDQ-MAUKXSAKSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H](CNC(=O)[C@]1(C)CCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000237476176 402409619 /nfs/dbraw/zinc/40/96/19/402409619.db2.gz NWPUVBISGDAXOE-CRAIPNDOSA-N 1 3 303.450 2.013 20 0 DEADHO C[C@@H](CC(=O)NCc1ccccc1CN(C)C)[C@@H]1CCC[NH2+]C1 ZINC000237477905 402409685 /nfs/dbraw/zinc/40/96/85/402409685.db2.gz UNYINGJTGHJVIK-JKSUJKDBSA-N 1 3 317.477 2.390 20 0 DEADHO Cc1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c1 ZINC000162815435 402432757 /nfs/dbraw/zinc/43/27/57/402432757.db2.gz XRRMFRXGHKSLEX-ZIFCJYIRSA-N 1 3 318.461 2.151 20 0 DEADHO Cc1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c1 ZINC000162815435 402432760 /nfs/dbraw/zinc/43/27/60/402432760.db2.gz XRRMFRXGHKSLEX-ZIFCJYIRSA-N 1 3 318.461 2.151 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCN(CCOc2ccc(Br)cc2)C1 ZINC000163239429 402445100 /nfs/dbraw/zinc/44/51/00/402445100.db2.gz FXBUGGOCSJMRRT-NWDGAFQWSA-N 1 3 313.239 2.497 20 0 DEADHO CC(C)[C@@]1(C)C[C@@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000185927742 402390138 /nfs/dbraw/zinc/39/01/38/402390138.db2.gz IFNHOMCQUUQEAA-IEBWSBKVSA-N 1 3 321.509 2.343 20 0 DEADHO CCN(C(=O)[C@H]1CC[NH2+]C1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000237047676 402392874 /nfs/dbraw/zinc/39/28/74/402392874.db2.gz SSTNNHKYPJMOCI-SZMVWBNQSA-N 1 3 315.461 2.280 20 0 DEADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cnn(C)c1 ZINC000178033907 402454694 /nfs/dbraw/zinc/45/46/94/402454694.db2.gz UAWRLYAMTVJYBG-UXLLHSPISA-N 1 3 308.470 2.350 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245565202 402471460 /nfs/dbraw/zinc/47/14/60/402471460.db2.gz DQTFGROHWXFQJH-HUUCEWRRSA-N 1 3 303.454 2.346 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245565202 402471462 /nfs/dbraw/zinc/47/14/62/402471462.db2.gz DQTFGROHWXFQJH-HUUCEWRRSA-N 1 3 303.454 2.346 20 0 DEADHO COc1cc(CCN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])ccc1Cl ZINC000423137486 286217361 /nfs/dbraw/zinc/21/73/61/286217361.db2.gz RCNPDCXTGASSJW-CORIIIEPSA-N 1 3 312.841 2.233 20 0 DEADHO COc1cc(CC[NH2+][C@@H]2CCOC[C@H]2[C@H](C)N)ccc1Cl ZINC000423137486 286217362 /nfs/dbraw/zinc/21/73/62/286217362.db2.gz RCNPDCXTGASSJW-CORIIIEPSA-N 1 3 312.841 2.233 20 0 DEADHO C[NH2+]C[C@H](C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000168511972 402496593 /nfs/dbraw/zinc/49/65/93/402496593.db2.gz PYCBZMHPKSWODH-XYJFISCASA-N 1 3 317.477 2.353 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCN(CCCc2nc(-c3cccs3)no2)C1 ZINC000168680165 402497934 /nfs/dbraw/zinc/49/79/34/402497934.db2.gz YJFRPAFKEAXFBV-RYUDHWBXSA-N 1 3 306.435 2.400 20 0 DEADHO CCOC[C@@H](O)CN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000246079688 402508083 /nfs/dbraw/zinc/50/80/83/402508083.db2.gz TXDOSEOFDYMBOB-AEFFLSMTSA-N 1 3 312.498 2.360 20 0 DEADHO CCOC[C@@H](O)CN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000246079688 402508086 /nfs/dbraw/zinc/50/80/86/402508086.db2.gz TXDOSEOFDYMBOB-AEFFLSMTSA-N 1 3 312.498 2.360 20 0 DEADHO NC[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000178801536 402541546 /nfs/dbraw/zinc/54/15/46/402541546.db2.gz HNEMKGGALSPVHE-MSOLQXFVSA-N 1 3 315.461 2.110 20 0 DEADHO NC[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000178801536 402541548 /nfs/dbraw/zinc/54/15/48/402541548.db2.gz HNEMKGGALSPVHE-MSOLQXFVSA-N 1 3 315.461 2.110 20 0 DEADHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(Cl)nc1 ZINC000179136478 402575021 /nfs/dbraw/zinc/57/50/21/402575021.db2.gz WSLHIXJMHWJWRX-CYBMUJFWSA-N 1 3 310.873 2.412 20 0 DEADHO CCc1ccc(C(=O)N2CCN(CC3CC[NH2+]CC3)CC2)cc1 ZINC000178958729 402559694 /nfs/dbraw/zinc/55/96/94/402559694.db2.gz ZDHRPZKKTFQCQJ-UHFFFAOYSA-N 1 3 315.461 2.006 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246245563 402519863 /nfs/dbraw/zinc/51/98/63/402519863.db2.gz JHZOTRVOEUTGFX-HZMVEIRTSA-N 1 3 309.498 2.473 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246245563 402519865 /nfs/dbraw/zinc/51/98/65/402519865.db2.gz JHZOTRVOEUTGFX-HZMVEIRTSA-N 1 3 309.498 2.473 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000178689189 402526996 /nfs/dbraw/zinc/52/69/96/402526996.db2.gz OMZJOJVPCFOLOK-YJBOKZPZSA-N 1 3 317.477 2.183 20 0 DEADHO CCN(CCC[NH+](C)C)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000188937010 402528234 /nfs/dbraw/zinc/52/82/34/402528234.db2.gz URUJPNGHZKPPRF-JKSUJKDBSA-N 1 3 312.502 2.090 20 0 DEADHO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000249010730 402617725 /nfs/dbraw/zinc/61/77/25/402617725.db2.gz JKXBBCKRWYIBCE-RMRHIDDWSA-N 1 3 309.479 2.231 20 0 DEADHO CCO[C@H]1C[C@H]([NH2+]C2CCN(CCN(C)C)CC2)C12CCCC2 ZINC000181467940 402646616 /nfs/dbraw/zinc/64/66/16/402646616.db2.gz LEMGWHPPZZJZEW-ROUUACIJSA-N 1 3 323.525 2.340 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@@H](C)[C@@H](C)[NH3+])c1cccc(OC)c1 ZINC000192090558 402710494 /nfs/dbraw/zinc/71/04/94/402710494.db2.gz SXQMFESFWLJEGI-VBQJREDUSA-N 1 3 321.465 2.178 20 0 DEADHO CN(C(=O)c1ccc(C[NH3+])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000261551264 402713696 /nfs/dbraw/zinc/71/36/96/402713696.db2.gz LYRXFYAOYILQMQ-LJQANCHMSA-N 1 3 323.440 2.492 20 0 DEADHO COC(=O)c1ccccc1OCC[N@H+](C)C[C@@H]1CCCN(C)C1 ZINC000182187487 402670318 /nfs/dbraw/zinc/67/03/18/402670318.db2.gz XVWRLXGUYCTMGZ-OAHLLOKOSA-N 1 3 320.433 2.126 20 0 DEADHO COC(=O)c1ccccc1OCC[N@@H+](C)C[C@@H]1CCCN(C)C1 ZINC000182187487 402670322 /nfs/dbraw/zinc/67/03/22/402670322.db2.gz XVWRLXGUYCTMGZ-OAHLLOKOSA-N 1 3 320.433 2.126 20 0 DEADHO CC[C@]1(C(=O)N[C@H](CN)c2ccc3ccccc3c2)CCC[NH2+]1 ZINC000192549001 402736350 /nfs/dbraw/zinc/73/63/50/402736350.db2.gz VYGRJMRIIWDDLD-IEBWSBKVSA-N 1 3 311.429 2.488 20 0 DEADHO C[C@H](CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)N1CCC[C@@H](C)C1 ZINC000262338751 402724399 /nfs/dbraw/zinc/72/43/99/402724399.db2.gz HROXPBZRSKIKNQ-XLMAVXFVSA-N 1 3 307.482 2.003 20 0 DEADHO Cc1ccccc1CN1CCC(NC(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000195148183 402833811 /nfs/dbraw/zinc/83/38/11/402833811.db2.gz DTQYBKKXKFDRJC-MRXNPFEDSA-N 1 3 315.461 2.075 20 0 DEADHO c1ncn(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000278791601 402871424 /nfs/dbraw/zinc/87/14/24/402871424.db2.gz QKUWVDZSNVDBHX-NNZMDNLPSA-N 1 3 311.433 2.063 20 0 DEADHO c1ncn(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000278791601 402871426 /nfs/dbraw/zinc/87/14/26/402871426.db2.gz QKUWVDZSNVDBHX-NNZMDNLPSA-N 1 3 311.433 2.063 20 0 DEADHO COc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)CN2CCCC2)cc1C ZINC000273210045 402982966 /nfs/dbraw/zinc/98/29/66/402982966.db2.gz SVBOPGORMFLWFT-HZPDHXFCSA-N 1 3 306.450 2.419 20 0 DEADHO CN(C)CCN(Cc1ccccc1)C(=O)CC1CC[NH+](C)CC1 ZINC000273221540 402984162 /nfs/dbraw/zinc/98/41/62/402984162.db2.gz NASSUKUUHLJSJW-UHFFFAOYSA-N 1 3 317.477 2.309 20 0 DEADHO CC(C)C(=O)NCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268698920 403107800 /nfs/dbraw/zinc/10/78/00/403107800.db2.gz ARVXPQHQUHSMST-FUHWJXTLSA-N 1 3 317.477 2.401 20 0 DEADHO CC(C)C(=O)NCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268698920 403107802 /nfs/dbraw/zinc/10/78/02/403107802.db2.gz ARVXPQHQUHSMST-FUHWJXTLSA-N 1 3 317.477 2.401 20 0 DEADHO COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccnc(OCCN(C)C)c1 ZINC000281976336 403110067 /nfs/dbraw/zinc/11/00/67/403110067.db2.gz BTWLMCAUVYSSMS-SJORKVTESA-N 1 3 321.465 2.317 20 0 DEADHO COc1ccc([C@H](C)[C@H](C)NC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000268814923 403117214 /nfs/dbraw/zinc/11/72/14/403117214.db2.gz FVNPQLOKYIRXJJ-VYDXJSESSA-N 1 3 306.450 2.234 20 0 DEADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CC1(N(C)C)Cc2ccccc2C1 ZINC000268920028 403121271 /nfs/dbraw/zinc/12/12/71/403121271.db2.gz UHQWVTQHLGYOIY-GJYPPUQNSA-N 1 3 315.505 2.404 20 0 DEADHO C[NH+]1CCC(O)(CN[C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000268974643 403121824 /nfs/dbraw/zinc/12/18/24/403121824.db2.gz IWEIEOKCIUHQRW-HNNXBMFYSA-N 1 3 308.397 2.086 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@]2(C)CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000269267294 403126514 /nfs/dbraw/zinc/12/65/14/403126514.db2.gz QDKHOPMQKLWQJU-SUMDDJOVSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H]1CN(C(=O)C2CCN(Cc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000269275339 403127242 /nfs/dbraw/zinc/12/72/42/403127242.db2.gz OJWAXURITXAGKN-CRAIPNDOSA-N 1 3 315.461 2.094 20 0 DEADHO CC(C)[C@@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000269271734 403127264 /nfs/dbraw/zinc/12/72/64/403127264.db2.gz TUTYLDSNVMPOHQ-HQSKLWIPSA-N 1 3 315.461 2.282 20 0 DEADHO CC(C)[C@@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000269271734 403127266 /nfs/dbraw/zinc/12/72/66/403127266.db2.gz TUTYLDSNVMPOHQ-HQSKLWIPSA-N 1 3 315.461 2.282 20 0 DEADHO CC(C)[C@H]([NH3+])CNC(=O)c1oc2ccccc2c1CN(C)C ZINC000269258573 403125442 /nfs/dbraw/zinc/12/54/42/403125442.db2.gz IHCVKEXUDUNGEH-CQSZACIVSA-N 1 3 303.406 2.208 20 0 DEADHO CN1CCN(CC[NH2+]Cc2cccc3cc[nH]c32)CC1(C)C ZINC000282238055 403135329 /nfs/dbraw/zinc/13/53/29/403135329.db2.gz FVUZQHIXUVGEQN-UHFFFAOYSA-N 1 3 300.450 2.284 20 0 DEADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc2c(c1)OCO2 ZINC000282367615 403147020 /nfs/dbraw/zinc/14/70/20/403147020.db2.gz QDAQDLBAIMSODQ-CQSZACIVSA-N 1 3 319.449 2.092 20 0 DEADHO O=C(NCC[NH2+]C1CCCCCC1)[C@H]1CNCc2ccccc21 ZINC000566795358 292268523 /nfs/dbraw/zinc/26/85/23/292268523.db2.gz LGZSGSTWSJSSTN-SFHVURJKSA-N 1 3 315.461 2.302 20 0 DEADHO C[C@@H](C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C)N1[C@@H](C)CC[C@@H]1C ZINC000342750390 403334041 /nfs/dbraw/zinc/33/40/41/403334041.db2.gz BKCXBNIANGDKTQ-KSWRQPAISA-N 1 3 307.482 2.333 20 0 DEADHO C[C@@H](C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000339731452 403432769 /nfs/dbraw/zinc/43/27/69/403432769.db2.gz NEHXOYVPPTUXLO-UIBIWLFHSA-N 1 3 321.509 2.438 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)N(CC)CC ZINC000345682360 403434276 /nfs/dbraw/zinc/43/42/76/403434276.db2.gz XFFICCVBYLXCAA-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)N(CC)CC ZINC000345682360 403434279 /nfs/dbraw/zinc/43/42/79/403434279.db2.gz XFFICCVBYLXCAA-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000345876928 403518363 /nfs/dbraw/zinc/51/83/63/403518363.db2.gz BIGVPZPSZFROTA-IAGOWNOFSA-N 1 3 301.434 2.105 20 0 DEADHO CN(C)Cc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000345876928 403518367 /nfs/dbraw/zinc/51/83/67/403518367.db2.gz BIGVPZPSZFROTA-IAGOWNOFSA-N 1 3 301.434 2.105 20 0 DEADHO C[C@@H](C(=O)N1CC[N@@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1)N1CCCCCC1 ZINC000346179014 403577512 /nfs/dbraw/zinc/57/75/12/403577512.db2.gz GFVZVDXIUQWRPT-XSLAGTTESA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H](C(=O)N1CC[N@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1)N1CCCCCC1 ZINC000346179014 403577515 /nfs/dbraw/zinc/57/75/15/403577515.db2.gz GFVZVDXIUQWRPT-XSLAGTTESA-N 1 3 321.509 2.440 20 0 DEADHO Cc1nn(-c2ccncc2)cc1CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346832545 403604576 /nfs/dbraw/zinc/60/45/76/403604576.db2.gz QZUSDJSEFPYCLG-QGTPRVQTSA-N 1 3 311.433 2.135 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CCN1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000343515981 403619486 /nfs/dbraw/zinc/61/94/86/403619486.db2.gz LDNHWEXOYHYEAD-LZLYRXPVSA-N 1 3 319.493 2.336 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CCN1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000343515981 403619488 /nfs/dbraw/zinc/61/94/88/403619488.db2.gz LDNHWEXOYHYEAD-LZLYRXPVSA-N 1 3 319.493 2.336 20 0 DEADHO CC[NH+](CC)CCO[C@H]1CCN(C[C@@H](O)Cc2ccccc2)C1 ZINC000343725575 403708719 /nfs/dbraw/zinc/70/87/19/403708719.db2.gz VZHURSKXPODHSR-OALUTQOASA-N 1 3 320.477 2.023 20 0 DEADHO CCc1ncc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)s1 ZINC000333204522 403694449 /nfs/dbraw/zinc/69/44/49/403694449.db2.gz YRNDNFZKDSQGPA-HIFRSBDPSA-N 1 3 309.479 2.424 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000343792906 403735182 /nfs/dbraw/zinc/73/51/82/403735182.db2.gz KGULXYQDHJFBBB-XHSDSOJGSA-N 1 3 310.486 2.033 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000343792906 403735186 /nfs/dbraw/zinc/73/51/86/403735186.db2.gz KGULXYQDHJFBBB-XHSDSOJGSA-N 1 3 310.486 2.033 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000341028754 403743328 /nfs/dbraw/zinc/74/33/28/403743328.db2.gz LEWJXXAYMRTRCF-MWDXBVQZSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)c2ccc3c(c2)CNC3)CC1 ZINC000347544381 403747838 /nfs/dbraw/zinc/74/78/38/403747838.db2.gz ZVLHOBJBZPORAV-UHFFFAOYSA-N 1 3 301.434 2.140 20 0 DEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000341047839 403750121 /nfs/dbraw/zinc/75/01/21/403750121.db2.gz FUNLNKPULSTYRZ-PMPSAXMXSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000341047839 403750128 /nfs/dbraw/zinc/75/01/28/403750128.db2.gz FUNLNKPULSTYRZ-PMPSAXMXSA-N 1 3 324.513 2.279 20 0 DEADHO [NH3+]CC1(CC(=O)Nc2ccc3c(c2)CNCCO3)CCCCC1 ZINC000295083069 403753371 /nfs/dbraw/zinc/75/33/71/403753371.db2.gz SHZBZSDYUURYCF-UHFFFAOYSA-N 1 3 317.433 2.406 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CCCCN1CC ZINC000303592882 403756365 /nfs/dbraw/zinc/75/63/65/403756365.db2.gz MPWQRWXXCYRMHQ-IAGOWNOFSA-N 1 3 324.513 2.425 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1CCCCN1CC ZINC000303592882 403756367 /nfs/dbraw/zinc/75/63/67/403756367.db2.gz MPWQRWXXCYRMHQ-IAGOWNOFSA-N 1 3 324.513 2.425 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000295268728 403821842 /nfs/dbraw/zinc/82/18/42/403821842.db2.gz VNRLHZWFDICUPR-CABCVRRESA-N 1 3 323.506 2.464 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CCN1C ZINC000341210927 403836469 /nfs/dbraw/zinc/83/64/69/403836469.db2.gz WMCVOHCBMBYWJL-BRWVUGGUSA-N 1 3 322.497 2.129 20 0 DEADHO Cc1nc(C)c(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)s1 ZINC000343989165 403829378 /nfs/dbraw/zinc/82/93/78/403829378.db2.gz SWNLKWXHJHUZIV-CJNGLKHVSA-N 1 3 322.522 2.218 20 0 DEADHO Cc1nc(C)c(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)s1 ZINC000343989165 403829380 /nfs/dbraw/zinc/82/93/80/403829380.db2.gz SWNLKWXHJHUZIV-CJNGLKHVSA-N 1 3 322.522 2.218 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN(C)C[C@H]2CC=CCC2)CC1 ZINC000344079401 403895647 /nfs/dbraw/zinc/89/56/47/403895647.db2.gz YFDBKIAGPMYFPH-INIZCTEOSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)[N@H+](C)CCCNC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000289287892 403897133 /nfs/dbraw/zinc/89/71/33/403897133.db2.gz PJEVQPOORYRQFP-CVEARBPZSA-N 1 3 318.417 2.137 20 0 DEADHO CC(C)[N@@H+](C)CCCNC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000289287892 403897145 /nfs/dbraw/zinc/89/71/45/403897145.db2.gz PJEVQPOORYRQFP-CVEARBPZSA-N 1 3 318.417 2.137 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCN2CCC[C@@H](C)C2)C[C@H]1C ZINC000361747666 403838355 /nfs/dbraw/zinc/83/83/55/403838355.db2.gz NUTOBOZSAWQMCJ-ZACQAIPSSA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCCN2CCC[C@@H](C)C2)C[C@H]1C ZINC000361747666 403838357 /nfs/dbraw/zinc/83/83/57/403838357.db2.gz NUTOBOZSAWQMCJ-ZACQAIPSSA-N 1 3 324.513 2.233 20 0 DEADHO [NH3+]C[C@@H](NC(=O)N1CC[C@@H](N2CCCCC2)C1)C1CCCCC1 ZINC000333771989 403855616 /nfs/dbraw/zinc/85/56/16/403855616.db2.gz CEAXMUSICMPHQD-IAGOWNOFSA-N 1 3 322.497 2.164 20 0 DEADHO CCOC1CC(CN2CCN(C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000351729465 403883446 /nfs/dbraw/zinc/88/34/46/403883446.db2.gz JAPLACNUCXVAEJ-UHFFFAOYSA-N 1 3 323.525 2.292 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000341283668 403884290 /nfs/dbraw/zinc/88/42/90/403884290.db2.gz CCBVQKPVBISJMZ-CJNGLKHVSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@@H](O)CCC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000354818374 404033589 /nfs/dbraw/zinc/03/35/89/404033589.db2.gz LEECDJAQPPOSGO-ZACQAIPSSA-N 1 3 312.498 2.359 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000341472708 403986420 /nfs/dbraw/zinc/98/64/20/403986420.db2.gz WGOWZJNAKMMNQY-BFYDXBDKSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000341472708 403986427 /nfs/dbraw/zinc/98/64/27/403986427.db2.gz WGOWZJNAKMMNQY-BFYDXBDKSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000341472709 403986469 /nfs/dbraw/zinc/98/64/69/403986469.db2.gz WGOWZJNAKMMNQY-HLLBOEOZSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000341472709 403986477 /nfs/dbraw/zinc/98/64/77/403986477.db2.gz WGOWZJNAKMMNQY-HLLBOEOZSA-N 1 3 322.497 2.033 20 0 DEADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C2(N)CCC2)CC1 ZINC000296069581 404079871 /nfs/dbraw/zinc/07/98/71/404079871.db2.gz PTIFSPIRDCCZRQ-UHFFFAOYSA-N 1 3 315.461 2.238 20 0 DEADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C2(N)CCC2)CC1 ZINC000296069581 404079875 /nfs/dbraw/zinc/07/98/75/404079875.db2.gz PTIFSPIRDCCZRQ-UHFFFAOYSA-N 1 3 315.461 2.238 20 0 DEADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000363162872 404097847 /nfs/dbraw/zinc/09/78/47/404097847.db2.gz PMLRENIAFHVLKC-SJLPKXTDSA-N 1 3 315.461 2.109 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000290105692 404043504 /nfs/dbraw/zinc/04/35/04/404043504.db2.gz YAQVEFQDGTYZOH-KSZLIROESA-N 1 3 315.461 2.155 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CCN1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000411990514 404048034 /nfs/dbraw/zinc/04/80/34/404048034.db2.gz XPMRLOFPHVNLGP-KURKYZTESA-N 1 3 315.461 2.062 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CCN1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000411990514 404048041 /nfs/dbraw/zinc/04/80/41/404048041.db2.gz XPMRLOFPHVNLGP-KURKYZTESA-N 1 3 315.461 2.062 20 0 DEADHO CC[NH+](CC)CCO[C@H]1CCN(CCc2csc(C)n2)C1 ZINC000348190382 404049662 /nfs/dbraw/zinc/04/96/62/404049662.db2.gz RHOUDHYWPTZIDG-INIZCTEOSA-N 1 3 311.495 2.427 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@@H](C)CN2CCCC2)c1 ZINC000320919061 404070575 /nfs/dbraw/zinc/07/05/75/404070575.db2.gz QGPCRHDYPJCXQY-SJLPKXTDSA-N 1 3 320.477 2.365 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)NC1CC1)Cc1ccccc1 ZINC000296374231 404218806 /nfs/dbraw/zinc/21/88/06/404218806.db2.gz KBNVMSATEWNVTO-MAUKXSAKSA-N 1 3 317.477 2.196 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000412178320 404173703 /nfs/dbraw/zinc/17/37/03/404173703.db2.gz NEGPLYNVMIUDCT-JJTUDDRGSA-N 1 3 307.482 2.333 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412178320 404173704 /nfs/dbraw/zinc/17/37/04/404173704.db2.gz NEGPLYNVMIUDCT-JJTUDDRGSA-N 1 3 307.482 2.333 20 0 DEADHO C[C@H](CC[NH+](C)C)N[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000363537765 404177184 /nfs/dbraw/zinc/17/71/84/404177184.db2.gz DZDIWACMFSRPAI-ZHALLVOQSA-N 1 3 319.493 2.206 20 0 DEADHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H](C)CN(C)C)cc1 ZINC000349869189 404235566 /nfs/dbraw/zinc/23/55/66/404235566.db2.gz QBGOSLVVCMOCRB-OAHLLOKOSA-N 1 3 320.481 2.278 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCc3nc(-c4ccccc4)no3)C[C@H]21 ZINC000342079055 404353974 /nfs/dbraw/zinc/35/39/74/404353974.db2.gz DFGQILSJGQXAAC-BZUAXINKSA-N 1 3 312.417 2.338 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000352340980 404299703 /nfs/dbraw/zinc/29/97/03/404299703.db2.gz UGFHUUFAUGBIRM-IAGOWNOFSA-N 1 3 324.513 2.280 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000352340980 404299710 /nfs/dbraw/zinc/29/97/10/404299710.db2.gz UGFHUUFAUGBIRM-IAGOWNOFSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H]1CN(CCC2CC[NH+](CCC(C)(C)O)CC2)C[C@@H](C)O1 ZINC000370215297 404369803 /nfs/dbraw/zinc/36/98/03/404369803.db2.gz KYQPGNOXASJPBT-HZPDHXFCSA-N 1 3 312.498 2.359 20 0 DEADHO CC[NH+](CC)CCOCCNCc1c(C)nc2ccccn21 ZINC000350363229 404374154 /nfs/dbraw/zinc/37/41/54/404374154.db2.gz XLJVMSPZVRFLDU-UHFFFAOYSA-N 1 3 304.438 2.091 20 0 DEADHO C[C@@H]([NH2+]CC1(N)CCC1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000342151346 404405559 /nfs/dbraw/zinc/40/55/59/404405559.db2.gz XTFAEURDCHARCH-OLZOCXBDSA-N 1 3 307.463 2.271 20 0 DEADHO C[C@@H](c1ccccc1)[C@H](O)CNCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000567465000 292315588 /nfs/dbraw/zinc/31/55/88/292315588.db2.gz GUGZOJMYQWLAEL-ZIFCJYIRSA-N 1 3 320.477 2.242 20 0 DEADHO C[C@@H](c1ccccc1)[C@H](O)CNCCC[N@H+]1CCCO[C@H](C)C1 ZINC000567465000 292315589 /nfs/dbraw/zinc/31/55/89/292315589.db2.gz GUGZOJMYQWLAEL-ZIFCJYIRSA-N 1 3 320.477 2.242 20 0 DEADHO COC(=O)[C@H](C)Oc1ccc(CN2CCCC[C@@H]2CC[NH3+])cc1 ZINC000352525405 404435616 /nfs/dbraw/zinc/43/56/16/404435616.db2.gz GIIGOTPFOVZNMM-GOEBONIOSA-N 1 3 320.433 2.330 20 0 DEADHO CC[C@@H]([NH2+]CCCN1CCN(CC)CC1)c1ccc(F)cn1 ZINC000352554324 404453082 /nfs/dbraw/zinc/45/30/82/404453082.db2.gz FTYIVIPLHHEUFL-MRXNPFEDSA-N 1 3 308.445 2.289 20 0 DEADHO Cc1nccn1CC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000342447707 404585412 /nfs/dbraw/zinc/58/54/12/404585412.db2.gz MWKOVXUJPUQAEI-IYBDPMFKSA-N 1 3 320.481 2.013 20 0 DEADHO CC(C)CC[C@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414181031 404538701 /nfs/dbraw/zinc/53/87/01/404538701.db2.gz BQPWTRMKHCMZNG-KRWDZBQOSA-N 1 3 311.514 2.197 20 0 DEADHO CCn1cc(CCN2CCC(OCC[NH+]3CCCC3)CC2)cn1 ZINC000351264672 404539701 /nfs/dbraw/zinc/53/97/01/404539701.db2.gz BCBWGSJHJLBGGN-UHFFFAOYSA-N 1 3 320.481 2.022 20 0 DEADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C1CCN(C2CC2)CC1 ZINC000338796412 404553359 /nfs/dbraw/zinc/55/33/59/404553359.db2.gz QPOUAKGESGQGKU-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C1CCN(C2CC2)CC1 ZINC000338796412 404553364 /nfs/dbraw/zinc/55/33/64/404553364.db2.gz QPOUAKGESGQGKU-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO [NH3+][C@@H]1CC[C@@H]2CN(CCC(=O)Nc3ccc(Cl)cc3)C[C@@H]12 ZINC000351480440 404594964 /nfs/dbraw/zinc/59/49/64/404594964.db2.gz UXBMEGCBRWFTFM-KCPJHIHWSA-N 1 3 307.825 2.338 20 0 DEADHO C[C@@H](CCc1ccccc1)CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352719694 404573000 /nfs/dbraw/zinc/57/30/00/404573000.db2.gz LTLYTPVNJWZAPQ-PKOBYXMFSA-N 1 3 301.478 2.235 20 0 DEADHO COC1(CNCc2ccncc2OCCC[NH+](C)C)CCCC1 ZINC000342428465 404573268 /nfs/dbraw/zinc/57/32/68/404573268.db2.gz NTIWHMYKPWHRLJ-UHFFFAOYSA-N 1 3 321.465 2.461 20 0 DEADHO CC[C@@H](C)[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414677763 404706255 /nfs/dbraw/zinc/70/62/55/404706255.db2.gz JOFIZMCVLNAPCS-SJLPKXTDSA-N 1 3 317.477 2.484 20 0 DEADHO CC[C@@H](C)[N@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414677763 404706258 /nfs/dbraw/zinc/70/62/58/404706258.db2.gz JOFIZMCVLNAPCS-SJLPKXTDSA-N 1 3 317.477 2.484 20 0 DEADHO Cc1csc(N2CCC([NH2+][C@@H](C)[C@H]3CCCNC3)CC2)n1 ZINC000414846294 404748058 /nfs/dbraw/zinc/74/80/58/404748058.db2.gz DXQPGTQEIMSISN-KBPBESRZSA-N 1 3 308.495 2.398 20 0 DEADHO CCc1nc(CN2CCN(C[C@H]3CC[NH2+][C@@H](C)C3)CC2)cs1 ZINC000414684106 404707785 /nfs/dbraw/zinc/70/77/85/404707785.db2.gz CPERHJGOOCLRJP-GJZGRUSLSA-N 1 3 322.522 2.211 20 0 DEADHO CC(C)CC[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414697512 404710752 /nfs/dbraw/zinc/71/07/52/404710752.db2.gz CCWOMSUOWGFWPX-SJORKVTESA-N 1 3 309.498 2.474 20 0 DEADHO CC(C)CC[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414697512 404710753 /nfs/dbraw/zinc/71/07/53/404710753.db2.gz CCWOMSUOWGFWPX-SJORKVTESA-N 1 3 309.498 2.474 20 0 DEADHO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414732238 404718790 /nfs/dbraw/zinc/71/87/90/404718790.db2.gz IHENPJYRYRLGRT-KFWWJZLASA-N 1 3 324.490 2.471 20 0 DEADHO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414732240 404718838 /nfs/dbraw/zinc/71/88/38/404718838.db2.gz IHENPJYRYRLGRT-QLFBSQMISA-N 1 3 324.490 2.471 20 0 DEADHO C[C@@H]1C[C@@H](CN2CCN(C(=O)NC3CCCCC3)CC2)CC[NH2+]1 ZINC000414738505 404720341 /nfs/dbraw/zinc/72/03/41/404720341.db2.gz PCQNTIDMKYGCPK-CVEARBPZSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@H]1C[C@@H](CN2CCN(C(=O)CC3CCCCC3)CC2)CC[NH2+]1 ZINC000414754411 404724793 /nfs/dbraw/zinc/72/47/93/404724793.db2.gz XUGJVNFJQXTEBJ-WMZOPIPTSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)CCN(C)C1CC1 ZINC000353027267 404725576 /nfs/dbraw/zinc/72/55/76/404725576.db2.gz MWCPKZSMCLQRGX-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(C)CCN(C)C1CC1 ZINC000353027267 404725578 /nfs/dbraw/zinc/72/55/78/404725578.db2.gz MWCPKZSMCLQRGX-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H](CN)c2ccc(F)cc2)C1 ZINC000358853887 404778213 /nfs/dbraw/zinc/77/82/13/404778213.db2.gz JEDGCEWXLQHOQP-RHSMWYFYSA-N 1 3 321.440 2.058 20 0 DEADHO COCC1(CNCc2cc(F)c(F)cc2F)CC[NH2+]CC1 ZINC000414971224 404778589 /nfs/dbraw/zinc/77/85/89/404778589.db2.gz IIRBESYIOSTFRV-UHFFFAOYSA-N 1 3 302.340 2.210 20 0 DEADHO Cc1ccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1C ZINC000414994548 404783319 /nfs/dbraw/zinc/78/33/19/404783319.db2.gz VMCWNWOTKKSUGU-OAHLLOKOSA-N 1 3 315.383 2.229 20 0 DEADHO C[C@H](CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)N1CCCC[C@H]1C ZINC000360772684 404837078 /nfs/dbraw/zinc/83/70/78/404837078.db2.gz NMKUEIGLKSSZAU-ZACQAIPSSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)N1CCCC[C@H]1C ZINC000360772684 404837082 /nfs/dbraw/zinc/83/70/82/404837082.db2.gz NMKUEIGLKSSZAU-ZACQAIPSSA-N 1 3 324.513 2.233 20 0 DEADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CC1(O)CCN(C)CC1 ZINC000353308173 404797916 /nfs/dbraw/zinc/79/79/16/404797916.db2.gz AXLLNWMOCUSINR-KRWDZBQOSA-N 1 3 318.461 2.464 20 0 DEADHO CN1CC[C@@]2(CC[N@H+](Cc3ccccc3N3CCOCC3)C2)C1 ZINC000366492672 404802612 /nfs/dbraw/zinc/80/26/12/404802612.db2.gz WFQMWJBNNZNQQG-LJQANCHMSA-N 1 3 315.461 2.051 20 0 DEADHO CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3N3CCOCC3)C2)C1 ZINC000366492672 404802613 /nfs/dbraw/zinc/80/26/13/404802613.db2.gz WFQMWJBNNZNQQG-LJQANCHMSA-N 1 3 315.461 2.051 20 0 DEADHO CN(Cc1ccc(OC(F)F)cc1)C1CC[NH+](CCO)CC1 ZINC000353366936 404814763 /nfs/dbraw/zinc/81/47/63/404814763.db2.gz WVUNWZMWEDQJPU-UHFFFAOYSA-N 1 3 314.376 2.177 20 0 DEADHO COc1ccc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000415130620 404815011 /nfs/dbraw/zinc/81/50/11/404815011.db2.gz XLBKOAHIUBMIAJ-FUHWJXTLSA-N 1 3 304.434 2.414 20 0 DEADHO Cc1ccncc1CNCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000415139016 404817409 /nfs/dbraw/zinc/81/74/09/404817409.db2.gz WIRNLALREYMKOQ-UHFFFAOYSA-N 1 3 324.472 2.473 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000423839730 404884919 /nfs/dbraw/zinc/88/49/19/404884919.db2.gz JSJCFOAQEODOSY-SJORKVTESA-N 1 3 317.477 2.403 20 0 DEADHO C[C@H](CCc1ccc(F)cc1F)NC[C@@H](O)C[NH+]1CCCC1 ZINC000353501386 404849709 /nfs/dbraw/zinc/84/97/09/404849709.db2.gz IBCRXSMCOMIXET-CZUORRHYSA-N 1 3 312.404 2.332 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000416897729 404954779 /nfs/dbraw/zinc/95/47/79/404954779.db2.gz XWSAVLNBTDEFAI-SJORKVTESA-N 1 3 318.465 2.065 20 0 DEADHO C(CN1CC[C@H]([C@@H]2CCOC2)C1)C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000367187896 404958598 /nfs/dbraw/zinc/95/85/98/404958598.db2.gz UFGXESATTWKFCB-INDMIFKZSA-N 1 3 322.493 2.093 20 0 DEADHO C(CN1CC[C@H]([C@@H]2CCOC2)C1)C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000367187896 404958602 /nfs/dbraw/zinc/95/86/02/404958602.db2.gz UFGXESATTWKFCB-INDMIFKZSA-N 1 3 322.493 2.093 20 0 DEADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000353762762 404963221 /nfs/dbraw/zinc/96/32/21/404963221.db2.gz SLVDDOZPPVYOFL-NXHRZFHOSA-N 1 3 317.477 2.257 20 0 DEADHO CNCc1ccccc1NC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000415904467 404966808 /nfs/dbraw/zinc/96/68/08/404966808.db2.gz RPJABYGSPKNTGM-AWEZNQCLSA-N 1 3 304.438 2.259 20 0 DEADHO CNCc1ccccc1NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000415904467 404966813 /nfs/dbraw/zinc/96/68/13/404966813.db2.gz RPJABYGSPKNTGM-AWEZNQCLSA-N 1 3 304.438 2.259 20 0 DEADHO CC[C@@H]([NH3+])CNC(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000416833744 404928011 /nfs/dbraw/zinc/92/80/11/404928011.db2.gz CWBVQZWQWYNWEU-HZPDHXFCSA-N 1 3 306.454 2.106 20 0 DEADHO C[C@H](CCCC[NH3+])NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000416843257 404932161 /nfs/dbraw/zinc/93/21/61/404932161.db2.gz OIUDAUNLSKINPU-WBVHZDCISA-N 1 3 318.465 2.078 20 0 DEADHO CC[NH2+]CCNC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000417013861 405001910 /nfs/dbraw/zinc/00/19/10/405001910.db2.gz YYYTYIUVUIHYRF-AWEZNQCLSA-N 1 3 312.483 2.040 20 0 DEADHO CN(CCC[NH+]1CCCC1)C(=O)Nc1ccc2c(c1)CNC2 ZINC000416005183 405003750 /nfs/dbraw/zinc/00/37/50/405003750.db2.gz HZDKYHJRUTVCPF-UHFFFAOYSA-N 1 3 302.422 2.239 20 0 DEADHO CC1CC[NH+](C[C@H]2CCCN(CCN3CCCOCC3)C2)CC1 ZINC000361294262 405011648 /nfs/dbraw/zinc/01/16/48/405011648.db2.gz DNANVFUQCDQTQC-IBGZPJMESA-N 1 3 323.525 2.153 20 0 DEADHO [NH3+][C@@H](CCC(=O)N1CCN2CCC[C@@H]2C1)CC1CCCCC1 ZINC000424142908 405019486 /nfs/dbraw/zinc/01/94/86/405019486.db2.gz IYOIOVKSHYUGBU-DLBZAZTESA-N 1 3 307.482 2.371 20 0 DEADHO CC(C)C[C@H](CN(C)C)NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000354068282 405029829 /nfs/dbraw/zinc/02/98/29/405029829.db2.gz NFEVEEBAAOEARE-QSFKDOLUSA-N 1 3 309.498 2.233 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000382715750 405031880 /nfs/dbraw/zinc/03/18/80/405031880.db2.gz CLZJWAWJUZVPAC-NXHRZFHOSA-N 1 3 315.461 2.237 20 0 DEADHO CC1(C)CCCN(CCNC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415955814 404982781 /nfs/dbraw/zinc/98/27/81/404982781.db2.gz KKSHKBRJTRDGDC-UHFFFAOYSA-N 1 3 304.438 2.389 20 0 DEADHO CC(C)(CC[NH3+])NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000424045180 404982799 /nfs/dbraw/zinc/98/27/99/404982799.db2.gz HDNWIQPKHGLSJW-HNNXBMFYSA-N 1 3 321.440 2.281 20 0 DEADHO C[C@@H](CNC(=O)Nc1ccc(C[NH3+])cc1)N1CCC(C)CC1 ZINC000415973262 404990492 /nfs/dbraw/zinc/99/04/92/404990492.db2.gz JJJFYZUFCRRCJM-AWEZNQCLSA-N 1 3 304.438 2.387 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N1CCC([NH3+])CC1)c1ccsc1 ZINC000417002122 404993719 /nfs/dbraw/zinc/99/37/19/404993719.db2.gz FTAOSJXHJTUAAS-HNNXBMFYSA-N 1 3 324.494 2.264 20 0 DEADHO C[C@H](C(=O)N1C[C@H]([NH3+])Cc2ccccc21)[C@@H](N)c1ccccc1 ZINC000424069304 404993972 /nfs/dbraw/zinc/99/39/72/404993972.db2.gz BQUCBJUAFQHPCD-FDQGKXFDSA-N 1 3 309.413 2.239 20 0 DEADHO CCN(CCC(=O)N1CCc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000435628993 404998839 /nfs/dbraw/zinc/99/88/39/404998839.db2.gz WPGPYKDCZBMWJJ-QGZVFWFLSA-N 1 3 315.461 2.430 20 0 DEADHO CC[N@H+](CCC(=O)N1CCc2ccccc21)[C@@H]1CCCNCC1 ZINC000435628993 404998841 /nfs/dbraw/zinc/99/88/41/404998841.db2.gz WPGPYKDCZBMWJJ-QGZVFWFLSA-N 1 3 315.461 2.430 20 0 DEADHO CC[N@@H+](CCC(=O)N1CCc2ccccc21)[C@@H]1CCCNCC1 ZINC000435628993 404998844 /nfs/dbraw/zinc/99/88/44/404998844.db2.gz WPGPYKDCZBMWJJ-QGZVFWFLSA-N 1 3 315.461 2.430 20 0 DEADHO C[NH2+]Cc1ccc(NC(=O)N[C@@H](C)CN2CCCCC2)cc1 ZINC000415994667 405000625 /nfs/dbraw/zinc/00/06/25/405000625.db2.gz WCKBFIPWSKCDDV-AWEZNQCLSA-N 1 3 304.438 2.402 20 0 DEADHO Cc1cccc(C)c1CN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436059552 405041148 /nfs/dbraw/zinc/04/11/48/405041148.db2.gz LDJCAQRMJCQTQW-INIZCTEOSA-N 1 3 303.450 2.123 20 0 DEADHO CC(C)[NH2+]CCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000389895076 405041337 /nfs/dbraw/zinc/04/13/37/405041337.db2.gz YGKVQCDZMOAZOK-NVXWUHKLSA-N 1 3 303.450 2.011 20 0 DEADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)/C=C/CN(C)C)CC1 ZINC000361375233 405044948 /nfs/dbraw/zinc/04/49/48/405044948.db2.gz CBNWPILVFPQMGP-OJXHRBAXSA-N 1 3 315.461 2.446 20 0 DEADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@@H]1CCCCC[NH2+]1 ZINC000390755584 405047430 /nfs/dbraw/zinc/04/74/30/405047430.db2.gz VRJMUZIMBMIUJP-ROUUACIJSA-N 1 3 315.461 2.299 20 0 DEADHO C[C@H](CNC(=O)N[C@H](C[NH3+])C1CCCCC1)N1CCC(C)CC1 ZINC000417304823 405085819 /nfs/dbraw/zinc/08/58/19/405085819.db2.gz FRIPABSRITVCFH-NVXWUHKLSA-N 1 3 324.513 2.314 20 0 DEADHO C[NH+](C)CCOCCNCc1cnn(-c2ccc(Cl)cc2)c1 ZINC000354190848 405090383 /nfs/dbraw/zinc/09/03/83/405090383.db2.gz LQJLRSHRWTVYIQ-UHFFFAOYSA-N 1 3 322.840 2.194 20 0 DEADHO CN(C[C@@H]1CCCN(C)C1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361502006 405103652 /nfs/dbraw/zinc/10/36/52/405103652.db2.gz UZHMUTYCVMTBIR-IAGOWNOFSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C[C@@H]1CCCN(C)C1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361502006 405103656 /nfs/dbraw/zinc/10/36/56/405103656.db2.gz UZHMUTYCVMTBIR-IAGOWNOFSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418343587 405122623 /nfs/dbraw/zinc/12/26/23/405122623.db2.gz RFKNEPNJZVHOLB-KRWDZBQOSA-N 1 3 324.513 2.284 20 0 DEADHO C[C@@H](C(=O)N1CCN(C2CC2)C[C@H](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000452168580 405200862 /nfs/dbraw/zinc/20/08/62/405200862.db2.gz FPOQKAVGRJLWFM-JONQDZQNSA-N 1 3 307.482 2.190 20 0 DEADHO C[C@@H](C(=O)N1CCN(C2CC2)C[C@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000452168580 405200866 /nfs/dbraw/zinc/20/08/66/405200866.db2.gz FPOQKAVGRJLWFM-JONQDZQNSA-N 1 3 307.482 2.190 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000418792883 405203569 /nfs/dbraw/zinc/20/35/69/405203569.db2.gz PHIUIOXEWQTYJT-IAGOWNOFSA-N 1 3 324.513 2.267 20 0 DEADHO OC1CCN(Cc2ccc(C[NH2+]CC[C@@H]3CCOC3)cc2)CC1 ZINC000438085833 405230656 /nfs/dbraw/zinc/23/06/56/405230656.db2.gz QCWIVXUWFBTNSE-GOSISDBHSA-N 1 3 318.461 2.160 20 0 DEADHO CCN(CCNC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C)C1CC1 ZINC000438858978 405256672 /nfs/dbraw/zinc/25/66/72/405256672.db2.gz OVFODZKUEPLYRT-QGZVFWFLSA-N 1 3 324.513 2.280 20 0 DEADHO CCN(CCNC(=O)NC[C@H]1CCCC[N@H+]1CC(C)C)C1CC1 ZINC000438858978 405256673 /nfs/dbraw/zinc/25/66/73/405256673.db2.gz OVFODZKUEPLYRT-QGZVFWFLSA-N 1 3 324.513 2.280 20 0 DEADHO CCOc1ccc([C@@H]2CCCN2CCN2CC[NH2+]CC2)cc1 ZINC000420297877 405310266 /nfs/dbraw/zinc/31/02/66/405310266.db2.gz DTAPRKAFAKRLFW-SFHVURJKSA-N 1 3 303.450 2.127 20 0 DEADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC3(C2)CCOCC3)cc1 ZINC000420299233 405310894 /nfs/dbraw/zinc/31/08/94/405310894.db2.gz ILPKKLHNGLZWNJ-INIZCTEOSA-N 1 3 304.434 2.240 20 0 DEADHO COc1ccc([C@@H](CN)C[N@H+]2CCC3(C2)CCOCC3)cc1 ZINC000420299233 405310895 /nfs/dbraw/zinc/31/08/95/405310895.db2.gz ILPKKLHNGLZWNJ-INIZCTEOSA-N 1 3 304.434 2.240 20 0 DEADHO COc1cccc([C@@H](C)N2CCN(CC[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000420322867 405319493 /nfs/dbraw/zinc/31/94/93/405319493.db2.gz SYSMQGZAXWLQGS-SJORKVTESA-N 1 3 317.477 2.373 20 0 DEADHO Clc1ccc(N2CCN(CC[C@H]3CCC[NH2+]C3)CC2)nc1 ZINC000420324269 405319530 /nfs/dbraw/zinc/31/95/30/405319530.db2.gz UWYNQIAKBRCQGJ-CQSZACIVSA-N 1 3 308.857 2.247 20 0 DEADHO Fc1ccc2c(c1)[C@@H](N1CC[C@@H](N3CC[NH2+]CC3)C1)CCC2 ZINC000420351583 405329220 /nfs/dbraw/zinc/32/92/20/405329220.db2.gz XKLRTUYMHIGDBN-AEFFLSMTSA-N 1 3 303.425 2.183 20 0 DEADHO CC[C@@H](c1ccc(Br)cc1)[N@H+](C)C[C@H](O)CN ZINC000420352760 405329447 /nfs/dbraw/zinc/32/94/47/405329447.db2.gz MRYDGGKMMTUKNZ-OLZOCXBDSA-N 1 3 301.228 2.152 20 0 DEADHO CC[C@@H](c1ccc(Br)cc1)[N@@H+](C)C[C@H](O)CN ZINC000420352760 405329448 /nfs/dbraw/zinc/32/94/48/405329448.db2.gz MRYDGGKMMTUKNZ-OLZOCXBDSA-N 1 3 301.228 2.152 20 0 DEADHO [NH3+]C[C@H](NCCOCC(F)(F)C(F)F)C1CCCCC1 ZINC000420379691 405338452 /nfs/dbraw/zinc/33/84/52/405338452.db2.gz XYKLJWGMNBBUAQ-NSHDSACASA-N 1 3 300.340 2.401 20 0 DEADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(CCOc2ccc(F)cc2)CC1 ZINC000420381904 405338960 /nfs/dbraw/zinc/33/89/60/405338960.db2.gz PGCCZBQEAHIKLO-QZTJIDSGSA-N 1 3 322.424 2.423 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000439781325 405292348 /nfs/dbraw/zinc/29/23/48/405292348.db2.gz JILZCQDFRQTEOZ-WMZOPIPTSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000439781325 405292351 /nfs/dbraw/zinc/29/23/51/405292351.db2.gz JILZCQDFRQTEOZ-WMZOPIPTSA-N 1 3 321.509 2.488 20 0 DEADHO O=C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1CCCN1C1CCCC1 ZINC000440118678 405302120 /nfs/dbraw/zinc/30/21/20/405302120.db2.gz NVPYFBVOZAFUMA-SFHVURJKSA-N 1 3 319.493 2.384 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000440241721 405307081 /nfs/dbraw/zinc/30/70/81/405307081.db2.gz SRZJAJDWANQWFI-UHFFFAOYSA-N 1 3 314.518 2.477 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1CCCN1C ZINC000420785918 405383726 /nfs/dbraw/zinc/38/37/26/405383726.db2.gz IQJIOIHJDXTPKJ-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1CCCN1C ZINC000420785918 405383727 /nfs/dbraw/zinc/38/37/27/405383727.db2.gz IQJIOIHJDXTPKJ-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H]1[C@H](NC(=O)Nc2ccccc2CC[NH+](C)C)CCCN1C ZINC000446569540 405384622 /nfs/dbraw/zinc/38/46/22/405384622.db2.gz PBVQVTFDABCMHE-GOEBONIOSA-N 1 3 318.465 2.395 20 0 DEADHO CC[N@H+](Cc1ccc(C(=O)N2C[C@H](C)N[C@@H](C)C2)cc1)C1CC1 ZINC000429392555 405428049 /nfs/dbraw/zinc/42/80/49/405428049.db2.gz GIQQXEMRMBFPQF-GJZGRUSLSA-N 1 3 315.461 2.493 20 0 DEADHO CC[N@@H+](Cc1ccc(C(=O)N2C[C@H](C)N[C@@H](C)C2)cc1)C1CC1 ZINC000429392555 405428051 /nfs/dbraw/zinc/42/80/51/405428051.db2.gz GIQQXEMRMBFPQF-GJZGRUSLSA-N 1 3 315.461 2.493 20 0 DEADHO CC[NH+]1CCC(N2CCCN(Cc3cccc(C)n3)CC2)CC1 ZINC000420983223 405420387 /nfs/dbraw/zinc/42/03/87/405420387.db2.gz QDSLBSSVGVUADW-UHFFFAOYSA-N 1 3 316.493 2.382 20 0 DEADHO COc1cccc(NC(=O)CCN2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000430551978 405455560 /nfs/dbraw/zinc/45/55/60/405455560.db2.gz AGBUZNSAUPYHJJ-UONOGXRCSA-N 1 3 305.422 2.083 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000458046197 405481729 /nfs/dbraw/zinc/48/17/29/405481729.db2.gz LFHIZLUKLKCWPK-IAGOWNOFSA-N 1 3 324.513 2.231 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000458046197 405481740 /nfs/dbraw/zinc/48/17/40/405481740.db2.gz LFHIZLUKLKCWPK-IAGOWNOFSA-N 1 3 324.513 2.231 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000458046198 405482025 /nfs/dbraw/zinc/48/20/25/405482025.db2.gz LFHIZLUKLKCWPK-IRXDYDNUSA-N 1 3 324.513 2.231 20 0 DEADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000458046198 405482030 /nfs/dbraw/zinc/48/20/30/405482030.db2.gz LFHIZLUKLKCWPK-IRXDYDNUSA-N 1 3 324.513 2.231 20 0 DEADHO CCC[C@](C)([NH3+])C(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000430742707 405500728 /nfs/dbraw/zinc/50/07/28/405500728.db2.gz YCCCEMZCXWQGFL-HKUYNNGSSA-N 1 3 317.477 2.457 20 0 DEADHO CN1CCC[C@@H](CNC(=O)C(C)(C)C[NH3+])[C@H]1c1cccs1 ZINC000430811483 405510637 /nfs/dbraw/zinc/51/06/37/405510637.db2.gz PLOQNSBYFBIJOS-JSGCOSHPSA-N 1 3 309.479 2.232 20 0 DEADHO C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000431035904 405565402 /nfs/dbraw/zinc/56/54/02/405565402.db2.gz GQVFHBOHHPFIGW-CVEARBPZSA-N 1 3 307.482 2.099 20 0 DEADHO Cc1nnsc1CNCCc1ccc(OCC[NH+](C)C)cc1 ZINC000638539539 405536154 /nfs/dbraw/zinc/53/61/54/405536154.db2.gz QYOJHLXEUKNRLH-UHFFFAOYSA-N 1 3 320.462 2.119 20 0 DEADHO C[NH2+]CC1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000430942619 405538759 /nfs/dbraw/zinc/53/87/59/405538759.db2.gz MLTXUGQIDRBKIZ-KBPBESRZSA-N 1 3 321.440 2.323 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC000635848404 405551540 /nfs/dbraw/zinc/55/15/40/405551540.db2.gz DHEPERYKRFAXBK-RDJZCZTQSA-N 1 3 317.477 2.444 20 0 DEADHO CC[C@H]([NH2+]Cc1ccccc1N(C)C1CCN(C)CC1)[C@@H](C)O ZINC000449542592 405605166 /nfs/dbraw/zinc/60/51/66/405605166.db2.gz MWENOBOQXSDXOX-QAPCUYQASA-N 1 3 319.493 2.466 20 0 DEADHO CC[C@@H]([NH2+]Cc1ccccc1N1CCN(CC)CC1)[C@H](C)O ZINC000449546364 405608719 /nfs/dbraw/zinc/60/87/19/405608719.db2.gz VKUDLXYJFWEZBL-DOTOQJQBSA-N 1 3 305.466 2.078 20 0 DEADHO CN1CCC(O)(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC1 ZINC000638681264 405613932 /nfs/dbraw/zinc/61/39/32/405613932.db2.gz KWGPMOOBGSNRMS-HUUCEWRRSA-N 1 3 310.482 2.159 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000635934472 405616542 /nfs/dbraw/zinc/61/65/42/405616542.db2.gz CHSVAMOFXSFNRF-NJAFHUGGSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000635934472 405616545 /nfs/dbraw/zinc/61/65/45/405616545.db2.gz CHSVAMOFXSFNRF-NJAFHUGGSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000431062044 405569393 /nfs/dbraw/zinc/56/93/93/405569393.db2.gz NGMYVSGZTXHEMQ-PVAVHDDUSA-N 1 3 301.434 2.080 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C2([NH3+])CCCC2)C1 ZINC000431061839 405569571 /nfs/dbraw/zinc/56/95/71/405569571.db2.gz MKCDDBXCAWCVPF-GDBMZVCRSA-N 1 3 301.434 2.210 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000431065301 405570703 /nfs/dbraw/zinc/57/07/03/405570703.db2.gz NGMYVSGZTXHEMQ-USXIJHARSA-N 1 3 301.434 2.080 20 0 DEADHO CCC[C@](C)(N)C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000449645086 405655941 /nfs/dbraw/zinc/65/59/41/405655941.db2.gz IBWCAMBMDCMLFB-LESCRADOSA-N 1 3 321.440 2.153 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC[N@@H+]2CCCC2(C)C)c1 ZINC000457047210 405670561 /nfs/dbraw/zinc/67/05/61/405670561.db2.gz CELCHJSRKREJLB-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC[N@H+]2CCCC2(C)C)c1 ZINC000457047210 405670567 /nfs/dbraw/zinc/67/05/67/405670567.db2.gz CELCHJSRKREJLB-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO O=C(Nc1ccc2c(c1)CNC2)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449670802 405677908 /nfs/dbraw/zinc/67/79/08/405677908.db2.gz JHQPHQWEISFVCE-IBGZPJMESA-N 1 3 307.397 2.160 20 0 DEADHO CO[C@]1(CNCC[C@@H](C)[N@H+](C)Cc2ccccc2)CCOC1 ZINC000638725330 405636608 /nfs/dbraw/zinc/63/66/08/405636608.db2.gz DNBXIWIKWUKNLC-AEFFLSMTSA-N 1 3 306.450 2.292 20 0 DEADHO CO[C@]1(CNCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CCOC1 ZINC000638725330 405636615 /nfs/dbraw/zinc/63/66/15/405636615.db2.gz DNBXIWIKWUKNLC-AEFFLSMTSA-N 1 3 306.450 2.292 20 0 DEADHO C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCCN2C2CCOCC2)cc1 ZINC000422873109 405689239 /nfs/dbraw/zinc/68/92/39/405689239.db2.gz KAKKBQNUQRVHCI-DYVFJYSZSA-N 1 3 317.433 2.288 20 0 DEADHO Cc1ccc([C@H](CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])N2CCCC2)o1 ZINC000422885178 405689282 /nfs/dbraw/zinc/68/92/82/405689282.db2.gz YISIUYXSNJMTEX-TWMKSMIVSA-N 1 3 321.465 2.067 20 0 DEADHO CC[C@H]([NH2+]CCN1CCc2ccccc2C1=O)[C@@H]1CCCCN1 ZINC000423076770 405699408 /nfs/dbraw/zinc/69/94/08/405699408.db2.gz ZRTCRQUMORBHCL-ROUUACIJSA-N 1 3 315.461 2.195 20 0 DEADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1CCCCN1 ZINC000638837096 405704173 /nfs/dbraw/zinc/70/41/73/405704173.db2.gz XWUYLVAFURQORO-NJAFHUGGSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1CCCCN1 ZINC000638837096 405704176 /nfs/dbraw/zinc/70/41/76/405704176.db2.gz XWUYLVAFURQORO-NJAFHUGGSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000638850345 405713809 /nfs/dbraw/zinc/71/38/09/405713809.db2.gz DLALWFKZUJDUEA-WMLDXEAASA-N 1 3 303.450 2.285 20 0 DEADHO C[C@H]([NH3+])CCN[C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000423224088 405728778 /nfs/dbraw/zinc/72/87/78/405728778.db2.gz IEZGXEILSYRAEX-KBPBESRZSA-N 1 3 302.422 2.387 20 0 DEADHO CC1CCC(N2CCN(C(=O)CC[C@H]3CCC[NH2+]3)CC2)CC1 ZINC000494662619 405741946 /nfs/dbraw/zinc/74/19/46/405741946.db2.gz CCVHWRKXAAREAB-AQFXKWCLSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H](CC(=O)N(C)c1ccccc1)NC[C@]1(C)CCC[NH2+]C1 ZINC000423324796 405762194 /nfs/dbraw/zinc/76/21/94/405762194.db2.gz IZQYVDGIVWQXCD-MAUKXSAKSA-N 1 3 303.450 2.407 20 0 DEADHO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@]1(C)CCCNC1 ZINC000423324796 405762199 /nfs/dbraw/zinc/76/21/99/405762199.db2.gz IZQYVDGIVWQXCD-MAUKXSAKSA-N 1 3 303.450 2.407 20 0 DEADHO N[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)C1CCC1 ZINC000423314238 405758057 /nfs/dbraw/zinc/75/80/57/405758057.db2.gz VRGWQGHVJGQXNX-KRWDZBQOSA-N 1 3 301.434 2.026 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000583558827 405759695 /nfs/dbraw/zinc/75/96/95/405759695.db2.gz MOIXWAYJNGDZIW-WCQYABFASA-N 1 3 316.371 2.136 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)c1ccccc1CC[NH2+]C ZINC000423373246 405782412 /nfs/dbraw/zinc/78/24/12/405782412.db2.gz IZPWNQSCANKAMF-MRXNPFEDSA-N 1 3 303.450 2.053 20 0 DEADHO CO[C@](C)(C[NH2+]Cc1ccccc1CN1CC[C@H](O)C1)C1CC1 ZINC000638975861 405791616 /nfs/dbraw/zinc/79/16/16/405791616.db2.gz CMQGCTGRUDOKKK-RBUKOAKNSA-N 1 3 318.461 2.158 20 0 DEADHO C[C@@H]1CCN[C@@H](C(=O)Nc2cccc(OCCC[NH+](C)C)c2)C1 ZINC000423408794 405793443 /nfs/dbraw/zinc/79/34/43/405793443.db2.gz PBBUAPUYBURFCD-RHSMWYFYSA-N 1 3 319.449 2.344 20 0 DEADHO C[C@H]([NH2+]CCc1cncn1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000530513142 405815908 /nfs/dbraw/zinc/81/59/08/405815908.db2.gz JUOIMSMLOJIZGW-FUHWJXTLSA-N 1 3 312.461 2.463 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CCC[C@H]([NH3+])C3)C2)cc1 ZINC000639006099 405818333 /nfs/dbraw/zinc/81/83/33/405818333.db2.gz SFOAPUHIAUIRDR-BZSNNMDCSA-N 1 3 315.461 2.203 20 0 DEADHO C[C@H]1CN(CCC[NH2+]C2CCN(C(C)(C)C)CC2)CCCO1 ZINC000432421543 405764308 /nfs/dbraw/zinc/76/43/08/405764308.db2.gz PRECGTINANAEKJ-INIZCTEOSA-N 1 3 311.514 2.340 20 0 DEADHO Cc1ccc(NC(=O)[C@H](C[NH3+])C(C)C)c(OCCN(C)C)c1 ZINC000433132730 405875572 /nfs/dbraw/zinc/87/55/72/405875572.db2.gz CGWGNXBETCLRMA-CQSZACIVSA-N 1 3 307.438 2.105 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000423614604 405877723 /nfs/dbraw/zinc/87/77/23/405877723.db2.gz QHAHDWDYVMQSDA-INIZCTEOSA-N 1 3 303.450 2.256 20 0 DEADHO CC(C)[NH+](CCNC(=O)N1CC[C@]2(C1)CCCN(C)C2)C(C)C ZINC000457415904 405834092 /nfs/dbraw/zinc/83/40/92/405834092.db2.gz DDYKHQKWSRDFLX-GOSISDBHSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000639067679 405857372 /nfs/dbraw/zinc/85/73/72/405857372.db2.gz KVMGDZNETYOTHX-QLFBSQMISA-N 1 3 301.434 2.338 20 0 DEADHO Cn1cncc1CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000459496063 405929451 /nfs/dbraw/zinc/92/94/51/405929451.db2.gz GELUKPPUYPJYBM-RBUKOAKNSA-N 1 3 324.472 2.417 20 0 DEADHO Cn1cncc1CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000459496063 405929454 /nfs/dbraw/zinc/92/94/54/405929454.db2.gz GELUKPPUYPJYBM-RBUKOAKNSA-N 1 3 324.472 2.417 20 0 DEADHO CC1([NH+]2CCCC2)CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000633962458 405931723 /nfs/dbraw/zinc/93/17/23/405931723.db2.gz GOZHYRZLPVFSLH-MRXNPFEDSA-N 1 3 305.466 2.090 20 0 DEADHO CN(C)[C@@H]1CCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000423742151 405939596 /nfs/dbraw/zinc/93/95/96/405939596.db2.gz KYWXKCBFFIIWKF-QGZVFWFLSA-N 1 3 315.461 2.005 20 0 DEADHO CC[C@@H](C)[C@@H](C[NH+]1CCC(CN2CCN(C)CC2)CC1)OC ZINC000639171028 405942919 /nfs/dbraw/zinc/94/29/19/405942919.db2.gz OLRMPCAQFAPEGL-SJLPKXTDSA-N 1 3 311.514 2.007 20 0 DEADHO Cc1ncc([C@H](C)N(C)CCN(C)C2CC[NH+](C)CC2)c(C)n1 ZINC000639170605 405943518 /nfs/dbraw/zinc/94/35/18/405943518.db2.gz VVUBPPQBESXOBL-HNNXBMFYSA-N 1 3 319.497 2.112 20 0 DEADHO CC[C@H](C)[C@@H](CN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)OC ZINC000639173392 405945583 /nfs/dbraw/zinc/94/55/83/405945583.db2.gz XZWLUEGVTHXNOZ-RYQLBKOJSA-N 1 3 311.514 2.148 20 0 DEADHO CC[C@H](C)[C@@H](CN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)OC ZINC000639173392 405945588 /nfs/dbraw/zinc/94/55/88/405945588.db2.gz XZWLUEGVTHXNOZ-RYQLBKOJSA-N 1 3 311.514 2.148 20 0 DEADHO CN(C)CCN(CCCc1ccccc1)C(=O)C[C@H]1CCC[NH2+]1 ZINC000423752285 405946964 /nfs/dbraw/zinc/94/69/64/405946964.db2.gz VZSAKEJKPSRPCC-GOSISDBHSA-N 1 3 317.477 2.152 20 0 DEADHO O[C@@H]1CCN(Cc2cccc(NC3CC[NH+](C4CC4)CC3)c2)C1 ZINC000459556122 405954779 /nfs/dbraw/zinc/95/47/79/405954779.db2.gz JHQHYSDIHWIRNJ-LJQANCHMSA-N 1 3 315.461 2.292 20 0 DEADHO CN(C)C[C@H](NC(=O)[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423779223 405962509 /nfs/dbraw/zinc/96/25/09/405962509.db2.gz UYHSMNCAXCAOBH-ZFWWWQNUSA-N 1 3 309.841 2.059 20 0 DEADHO CC1(C)C(=O)N[C@H]1C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000562445140 406010867 /nfs/dbraw/zinc/01/08/67/406010867.db2.gz YXMBSZAFNYLLLT-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO CCOC[C@@H]1CCCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000459706726 406013474 /nfs/dbraw/zinc/01/34/74/406013474.db2.gz IYYDIINCVRPOKO-SFHVURJKSA-N 1 3 311.514 2.294 20 0 DEADHO CCOC[C@@H]1CCCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000459706726 406013480 /nfs/dbraw/zinc/01/34/80/406013480.db2.gz IYYDIINCVRPOKO-SFHVURJKSA-N 1 3 311.514 2.294 20 0 DEADHO N[C@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C1CCC1 ZINC000423795884 405972394 /nfs/dbraw/zinc/97/23/94/405972394.db2.gz KUTFBXZVZPDMJS-KRWDZBQOSA-N 1 3 307.482 2.228 20 0 DEADHO N[C@H](CC(=O)NC1CC([NH+]2CCCCC2)C1)c1ccccc1 ZINC000423808108 405985781 /nfs/dbraw/zinc/98/57/81/405985781.db2.gz YNOAFBIODLVDOP-OFLPRAFFSA-N 1 3 301.434 2.210 20 0 DEADHO C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433915454 405998732 /nfs/dbraw/zinc/99/87/32/405998732.db2.gz PTSJXJIUCFNNAX-WBVHZDCISA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000531733717 405999194 /nfs/dbraw/zinc/99/91/94/405999194.db2.gz MFIZCGAZIHSOPL-WZRBSPASSA-N 1 3 304.360 2.264 20 0 DEADHO CC(C)[NH+](CCNC(=O)NC[C@@H]1CCCCN1C1CC1)C(C)C ZINC000433943268 406000195 /nfs/dbraw/zinc/00/01/95/406000195.db2.gz UELOQZKNXLTWOU-KRWDZBQOSA-N 1 3 324.513 2.421 20 0 DEADHO C[C@@H](CNC(=O)NC[C@@H]1CCCCN1C1CC1)C[NH+]1CCCC1 ZINC000433928174 406000551 /nfs/dbraw/zinc/00/05/51/406000551.db2.gz XLXCRGYVEPAZAG-RDJZCZTQSA-N 1 3 322.497 2.034 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCN(C2CCCC2)CC1 ZINC000462010747 406083804 /nfs/dbraw/zinc/08/38/04/406083804.db2.gz LUXMOANDIMLZPX-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCN(C2CCCC2)CC1 ZINC000462010747 406083806 /nfs/dbraw/zinc/08/38/06/406083806.db2.gz LUXMOANDIMLZPX-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO CN(C)Cc1ccc(-c2noc(C[C@H]3CCC[NH2+]C3)n2)cc1 ZINC000516487899 406092145 /nfs/dbraw/zinc/09/21/45/406092145.db2.gz CJYMLKJVNQCRMB-CQSZACIVSA-N 1 3 300.406 2.340 20 0 DEADHO CC(C)[C@@H](CNC(=O)[C@@H]1CCCCCN1)[NH+]1CCC(C)CC1 ZINC000567616311 406105720 /nfs/dbraw/zinc/10/57/20/406105720.db2.gz ZJIQVVHDELXXQJ-DLBZAZTESA-N 1 3 309.498 2.391 20 0 DEADHO CCc1cccc(OC[C@H](O)CNC2CC[NH+](C3CC3)CC2)c1 ZINC000567680038 406117991 /nfs/dbraw/zinc/11/79/91/406117991.db2.gz NKCFSUCRHCADAU-GOSISDBHSA-N 1 3 318.461 2.205 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC000484686517 406181370 /nfs/dbraw/zinc/18/13/70/406181370.db2.gz CASDKNINGNCSAD-ZMSDIMECSA-N 1 3 318.465 2.071 20 0 DEADHO CN(C)CCOc1cc(C[NH2+][C@@H]2CCOC(C)(C)C2)ccn1 ZINC000634681747 406223047 /nfs/dbraw/zinc/22/30/47/406223047.db2.gz XBLXPICWDQANAV-OAHLLOKOSA-N 1 3 307.438 2.069 20 0 DEADHO NCc1cn([C@H]2CCC[N@H+](Cc3cccc4ncccc34)C2)nn1 ZINC000634688375 406226074 /nfs/dbraw/zinc/22/60/74/406226074.db2.gz QMJYXIXJZYEYQL-INIZCTEOSA-N 1 3 322.416 2.122 20 0 DEADHO NCc1cn([C@H]2CCC[N@@H+](Cc3cccc4ncccc34)C2)nn1 ZINC000634688375 406226077 /nfs/dbraw/zinc/22/60/77/406226077.db2.gz QMJYXIXJZYEYQL-INIZCTEOSA-N 1 3 322.416 2.122 20 0 DEADHO O[C@H]1CCCC[C@@H]1CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000519698439 406236254 /nfs/dbraw/zinc/23/62/54/406236254.db2.gz NGJBXPSRWLGOMY-NWGLXNPWSA-N 1 3 316.445 2.383 20 0 DEADHO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639759558 406238430 /nfs/dbraw/zinc/23/84/30/406238430.db2.gz BFQVIYVUAZCGNN-BRWVUGGUSA-N 1 3 321.509 2.297 20 0 DEADHO C[NH+]1CCC2(CCN(CC(=O)N(C3CC3)C3CCCC3)C2)CC1 ZINC000639758938 406238489 /nfs/dbraw/zinc/23/84/89/406238489.db2.gz YBPQUDOVZQUSGV-UHFFFAOYSA-N 1 3 319.493 2.338 20 0 DEADHO C[NH+](C)CC1CCN(Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000535780915 406238501 /nfs/dbraw/zinc/23/85/01/406238501.db2.gz YVMWVRWNRABPGP-UHFFFAOYSA-N 1 3 317.412 2.180 20 0 DEADHO CC1(C)CNCC[C@H]([NH2+]C2CCN(c3ccccn3)CC2)C1 ZINC000634732945 406253174 /nfs/dbraw/zinc/25/31/74/406253174.db2.gz SERGDVYCOVWXOB-INIZCTEOSA-N 1 3 302.466 2.418 20 0 DEADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000488354252 406313932 /nfs/dbraw/zinc/31/39/32/406313932.db2.gz KXXJFUCGXYQTGX-UHOFOFEASA-N 1 3 323.868 2.257 20 0 DEADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000488354252 406313934 /nfs/dbraw/zinc/31/39/34/406313934.db2.gz KXXJFUCGXYQTGX-UHOFOFEASA-N 1 3 323.868 2.257 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC[C@@H](O)C[N@H+](C)C1CC1)N(C)C ZINC000570038167 406336404 /nfs/dbraw/zinc/33/64/04/406336404.db2.gz XBXYSLCSWPMAGO-WDYCEAGBSA-N 1 3 319.493 2.031 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC[C@@H](O)C[N@@H+](C)C1CC1)N(C)C ZINC000570038167 406336407 /nfs/dbraw/zinc/33/64/07/406336407.db2.gz XBXYSLCSWPMAGO-WDYCEAGBSA-N 1 3 319.493 2.031 20 0 DEADHO C[C@@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(-n2cnnn2)cc1 ZINC000635010240 406398224 /nfs/dbraw/zinc/39/82/24/406398224.db2.gz JFRIOBGOWSQGTH-HIFRSBDPSA-N 1 3 314.437 2.091 20 0 DEADHO Cc1ncc([C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)s1 ZINC000635010257 406398359 /nfs/dbraw/zinc/39/83/59/406398359.db2.gz RKEBHQAQODOKNJ-LLVKDONJSA-N 1 3 303.435 2.429 20 0 DEADHO CC1(C)[C@H](Nc2cc(N3CCNCC3)cc[nH+]2)[C@@H]2CCCO[C@@H]21 ZINC000635008908 406399092 /nfs/dbraw/zinc/39/90/92/406399092.db2.gz LECMBSXBIPSBTL-UAGQMJEPSA-N 1 3 316.449 2.107 20 0 DEADHO CC[C@]1(O)CCCN(CC[C@@H](C)[N@@H+]2CCC[C@@](O)(CC)C2)C1 ZINC000640033817 406365293 /nfs/dbraw/zinc/36/52/93/406365293.db2.gz RIADWDOAZOYWNS-SQNIBIBYSA-N 1 3 312.498 2.239 20 0 DEADHO CC[C@]1(O)CCCN(CC[C@@H](C)[N@H+]2CCC[C@@](O)(CC)C2)C1 ZINC000640033817 406365296 /nfs/dbraw/zinc/36/52/96/406365296.db2.gz RIADWDOAZOYWNS-SQNIBIBYSA-N 1 3 312.498 2.239 20 0 DEADHO CC[C@]1(O)CCCN([C@H](C)CC[N@@H+]2CCC[C@@](O)(CC)C2)C1 ZINC000640033817 406365301 /nfs/dbraw/zinc/36/53/01/406365301.db2.gz RIADWDOAZOYWNS-SQNIBIBYSA-N 1 3 312.498 2.239 20 0 DEADHO CC[C@]1(O)CCCN([C@H](C)CC[N@H+]2CCC[C@@](O)(CC)C2)C1 ZINC000640033817 406365303 /nfs/dbraw/zinc/36/53/03/406365303.db2.gz RIADWDOAZOYWNS-SQNIBIBYSA-N 1 3 312.498 2.239 20 0 DEADHO CC[C@@]1(O)CCC[N@@H+](C/C=C\CN2CCC[C@@](O)(CC)C2)C1 ZINC000640036585 406368084 /nfs/dbraw/zinc/36/80/84/406368084.db2.gz UHJMUYUEKWHDFL-SPCWZHTESA-N 1 3 310.482 2.016 20 0 DEADHO CC[C@@]1(O)CCC[N@H+](C/C=C\CN2CCC[C@@](O)(CC)C2)C1 ZINC000640036585 406368087 /nfs/dbraw/zinc/36/80/87/406368087.db2.gz UHJMUYUEKWHDFL-SPCWZHTESA-N 1 3 310.482 2.016 20 0 DEADHO CC[C@@]1(O)CCCN(C/C=C\C[N@@H+]2CCC[C@@](O)(CC)C2)C1 ZINC000640036585 406368088 /nfs/dbraw/zinc/36/80/88/406368088.db2.gz UHJMUYUEKWHDFL-SPCWZHTESA-N 1 3 310.482 2.016 20 0 DEADHO CC[C@@]1(O)CCCN(C/C=C\C[N@H+]2CCC[C@@](O)(CC)C2)C1 ZINC000640036585 406368091 /nfs/dbraw/zinc/36/80/91/406368091.db2.gz UHJMUYUEKWHDFL-SPCWZHTESA-N 1 3 310.482 2.016 20 0 DEADHO C[C@@H](CN(C)CC(=O)NC1CC[NH+](C2CC2)CC1)C(C)(C)C ZINC000640350540 406473038 /nfs/dbraw/zinc/47/30/38/406473038.db2.gz PXSYIXDLLWVQOL-AWEZNQCLSA-N 1 3 309.498 2.343 20 0 DEADHO CN1CC[C@H]2CCN(C(=O)CC[N@H+](C)C3CCCCC3)[C@@H]2C1 ZINC000548064215 406475598 /nfs/dbraw/zinc/47/55/98/406475598.db2.gz ZWTUKWMZBRJNHY-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO CN1CC[C@H]2CCN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@@H]2C1 ZINC000548064215 406475600 /nfs/dbraw/zinc/47/56/00/406475600.db2.gz ZWTUKWMZBRJNHY-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO CN(CCCC[NH+]1CCCCC1)CC[C@H]1CCS(=O)(=O)C1 ZINC000640533896 406535851 /nfs/dbraw/zinc/53/58/51/406535851.db2.gz YIMUPXHEAIAJJJ-INIZCTEOSA-N 1 3 316.511 2.009 20 0 DEADHO CC1(C)C[NH2+][C@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000645787189 406628206 /nfs/dbraw/zinc/62/82/06/406628206.db2.gz ZQZXHIQUTLDCMM-IRXDYDNUSA-N 1 3 315.461 2.155 20 0 DEADHO Cc1cc(NC(=O)[C@@H](N)CCC(C)C)n(C2CC[NH+](C)CC2)n1 ZINC000638124063 406582311 /nfs/dbraw/zinc/58/23/11/406582311.db2.gz YJPHGUZGGJVFCV-HNNXBMFYSA-N 1 3 321.469 2.160 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CCN[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000572466659 406673412 /nfs/dbraw/zinc/67/34/12/406673412.db2.gz QGFDDGQZJNITRF-KZNAEPCWSA-N 1 3 309.498 2.094 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CCN[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000572466659 406673417 /nfs/dbraw/zinc/67/34/17/406673417.db2.gz QGFDDGQZJNITRF-KZNAEPCWSA-N 1 3 309.498 2.094 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)NCC1CC[NH2+]CC1 ZINC000572619406 406705791 /nfs/dbraw/zinc/70/57/91/406705791.db2.gz KLRGEFDCCQBRSV-UHFFFAOYSA-N 1 3 324.513 2.140 20 0 DEADHO Cn1c(C[NH2+]C[C@@H](O)CN2CCCCC2)cc2ccccc21 ZINC000638412378 406756445 /nfs/dbraw/zinc/75/64/45/406756445.db2.gz OREDXYQCRHFAQX-QGZVFWFLSA-N 1 3 301.434 2.115 20 0 DEADHO CCN(CC)CCC[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2)C1 ZINC000646057681 406760325 /nfs/dbraw/zinc/76/03/25/406760325.db2.gz JSDXMIZEJQBVGY-GOSISDBHSA-N 1 3 317.477 2.357 20 0 DEADHO CCN(CC)CCC[N@H+]1CC[C@@H](C(=O)NCc2ccccc2)C1 ZINC000646057681 406760332 /nfs/dbraw/zinc/76/03/32/406760332.db2.gz JSDXMIZEJQBVGY-GOSISDBHSA-N 1 3 317.477 2.357 20 0 DEADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000646105660 406781445 /nfs/dbraw/zinc/78/14/45/406781445.db2.gz BFZOPLUEQQWDHN-QGZVFWFLSA-N 1 3 315.461 2.238 20 0 DEADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000646253939 406826563 /nfs/dbraw/zinc/82/65/63/406826563.db2.gz AUWBTBGLLNKDTC-XJKSGUPXSA-N 1 3 323.868 2.228 20 0 DEADHO CCN(C(=O)NC[C@H](C)[NH3+])[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000641505923 406828406 /nfs/dbraw/zinc/82/84/06/406828406.db2.gz PFODUTJTZJLLEV-UXLLHSPISA-N 1 3 318.465 2.201 20 0 DEADHO CC[C@@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000577515392 406840601 /nfs/dbraw/zinc/84/06/01/406840601.db2.gz UGZRAZKKKNVTNR-RCCFBDPRSA-N 1 3 315.461 2.237 20 0 DEADHO CC[C@@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000577515392 406840605 /nfs/dbraw/zinc/84/06/05/406840605.db2.gz UGZRAZKKKNVTNR-RCCFBDPRSA-N 1 3 315.461 2.237 20 0 DEADHO CN1CCC(N2CC[C@@H]([NH2+]C3CCC(F)(F)CC3)C2)CC1 ZINC000647182439 406966660 /nfs/dbraw/zinc/96/66/60/406966660.db2.gz BZUXTRTWLFAPNC-CQSZACIVSA-N 1 3 301.425 2.322 20 0 DEADHO CC(C)Cn1nccc1C[NH2+]CCCN1CCCO[C@@H](C)C1 ZINC000647206049 406971952 /nfs/dbraw/zinc/97/19/52/406971952.db2.gz FLHUTRMENBGBBG-INIZCTEOSA-N 1 3 308.470 2.130 20 0 DEADHO C[NH+](C)CCOc1ccc(CNCc2ccc(CO)cc2)cc1 ZINC000647229668 406975088 /nfs/dbraw/zinc/97/50/88/406975088.db2.gz KIAGKCSFSHKHJH-UHFFFAOYSA-N 1 3 314.429 2.409 20 0 DEADHO CCN(CC)[C@H](CNC(=O)NCCC[NH+](C)C)c1ccccc1 ZINC000643216699 406962309 /nfs/dbraw/zinc/96/23/09/406962309.db2.gz UQAREPRSKAFEIQ-QGZVFWFLSA-N 1 3 320.481 2.320 20 0 DEADHO COc1ccccc1NC(=O)C[C@@H](C)N[C@H]1CCC[NH2+]CC1 ZINC000643521710 407010143 /nfs/dbraw/zinc/01/01/43/407010143.db2.gz YNBNFJMJVGLVSJ-KGLIPLIRSA-N 1 3 305.422 2.144 20 0 DEADHO [NH3+]C[C@H]1CN(Cc2ccc3cnccc3c2)CC12CCOCC2 ZINC000647545446 407017877 /nfs/dbraw/zinc/01/78/77/407017877.db2.gz JMSYETQWGUZZSR-SFHVURJKSA-N 1 3 311.429 2.422 20 0 DEADHO CN(C)CCOc1ccc(CN[C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000647553796 407019740 /nfs/dbraw/zinc/01/97/40/407019740.db2.gz JRDWIFPEZILNIU-SFHVURJKSA-N 1 3 317.477 2.391 20 0 DEADHO Cc1ccc(C2([NH2+]C[C@@H]3CCCN(C(=O)CN)C3)CCC2)cc1 ZINC000647553205 407019747 /nfs/dbraw/zinc/01/97/47/407019747.db2.gz IUQAEMSHYFLERH-INIZCTEOSA-N 1 3 315.461 2.161 20 0 DEADHO CN(CCN1CC[NH2+]CC1)Cc1cccc(-c2cccnc2)c1 ZINC000647493060 407006774 /nfs/dbraw/zinc/00/67/74/407006774.db2.gz RTYRIISLLNZDBA-UHFFFAOYSA-N 1 3 310.445 2.086 20 0 DEADHO CC[C@@H]1CN(Cc2ccc(OCCN(C)C)cc2)CC[C@H]1[NH3+] ZINC000647498650 407007978 /nfs/dbraw/zinc/00/79/78/407007978.db2.gz LXJNYZRWDUPCBU-SJLPKXTDSA-N 1 3 305.466 2.186 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N(C)CCC[NH+]1CCCC1 ZINC000644087980 407085028 /nfs/dbraw/zinc/08/50/28/407085028.db2.gz XLXVSOZEEGSGLD-UHFFFAOYSA-N 1 3 303.450 2.306 20 0 DEADHO COc1ccc([C@H](CN2CCCC2)NC(=O)CC(C)(C)[NH3+])cc1 ZINC000648169519 407130524 /nfs/dbraw/zinc/13/05/24/407130524.db2.gz SMJHESKXCGDHFW-INIZCTEOSA-N 1 3 319.449 2.076 20 0 DEADHO CCCN(C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[C@@H]1CCN(C)C1 ZINC000645270586 407256825 /nfs/dbraw/zinc/25/68/25/407256825.db2.gz CJURWYKBEHXKMR-IXDOHACOSA-N 1 3 324.513 2.375 20 0 DEADHO CCCN(C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[C@@H]1CCN(C)C1 ZINC000645270586 407256827 /nfs/dbraw/zinc/25/68/27/407256827.db2.gz CJURWYKBEHXKMR-IXDOHACOSA-N 1 3 324.513 2.375 20 0 DEADHO C[C@@H](C(=O)N1CCN(c2cc[nH+]cc2)CC1)[C@@H](N)c1ccccc1 ZINC000645221451 407248799 /nfs/dbraw/zinc/24/87/99/407248799.db2.gz NIQQOJMLZUQZDL-CRAIPNDOSA-N 1 3 324.428 2.066 20 0 DEADHO CC1CCN([C@@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2)c2ccccc2)CC1 ZINC000569930395 292452788 /nfs/dbraw/zinc/45/27/88/292452788.db2.gz GEVGBQJWGYTYEK-KSZLIROESA-N 1 3 315.461 2.313 20 0 DEADHO CC(C)[NH2+]CCCNC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000570697596 292500728 /nfs/dbraw/zinc/50/07/28/292500728.db2.gz UEYQRGDLUYOWHQ-MRXNPFEDSA-N 1 3 310.486 2.034 20 0 DEADHO N[C@@H]1CCC[C@@H]([NH2+]CCCC(=O)N2Cc3ccccc3C2)C1 ZINC000571297477 292540840 /nfs/dbraw/zinc/54/08/40/292540840.db2.gz NGVSOTWYDSNRSF-IAGOWNOFSA-N 1 3 301.434 2.169 20 0 DEADHO C[C@@H]1CC2(CN1CC(=O)N[C@@H]1CCCC[C@H]1C)CC[NH2+]CC2 ZINC000424295112 287236974 /nfs/dbraw/zinc/23/69/74/287236974.db2.gz QRUCOASSXKTDLJ-BZUAXINKSA-N 1 3 307.482 2.145 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000295338794 287318418 /nfs/dbraw/zinc/31/84/18/287318418.db2.gz ZZHXCFNMPDQEQH-ULQDDVLXSA-N 1 3 303.450 2.314 20 0 DEADHO NC(=O)c1cccc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000192929817 225145636 /nfs/dbraw/zinc/14/56/36/225145636.db2.gz TYFRLWNKOMLSQL-GOSISDBHSA-N 1 3 323.440 2.397 20 0 DEADHO C[C@H](CC[NH3+])NC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000417316855 229006970 /nfs/dbraw/zinc/00/69/70/229006970.db2.gz GNHBYKBMZFELIK-WBVHZDCISA-N 1 3 318.465 2.078 20 0 DEADHO C[C@H](CC[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000417825884 229115136 /nfs/dbraw/zinc/11/51/36/229115136.db2.gz BTIQKMJGDYTZJL-BFYDXBDKSA-N 1 3 318.465 2.076 20 0 DEADHO C[C@]1(CNC(=O)NCCCC[NH3+])CCCN1Cc1ccccc1 ZINC000418049483 229202830 /nfs/dbraw/zinc/20/28/30/229202830.db2.gz XUIAEDUTKLLVSH-GOSISDBHSA-N 1 3 318.465 2.079 20 0 DEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000422702107 230170325 /nfs/dbraw/zinc/17/03/25/230170325.db2.gz DFLCWSYLUVWVMT-HOTGVXAUSA-N 1 3 311.539 2.455 20 0 DEADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCS(=O)(=O)Cc1ccccc1 ZINC000422709835 230171545 /nfs/dbraw/zinc/17/15/45/230171545.db2.gz KZHNDRPSUCVGRK-IAGOWNOFSA-N 1 3 324.490 2.099 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@H]1NCCCS(=O)(=O)Cc1ccccc1 ZINC000422709835 230171550 /nfs/dbraw/zinc/17/15/50/230171550.db2.gz KZHNDRPSUCVGRK-IAGOWNOFSA-N 1 3 324.490 2.099 20 0 DEADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc(CN2CCCC2=O)cc1 ZINC000422713598 230175256 /nfs/dbraw/zinc/17/52/56/230175256.db2.gz KCTJGMYDIKHJMA-SJORKVTESA-N 1 3 301.434 2.026 20 0 DEADHO c1c(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)nc2n1CCCC2 ZINC000422830080 230232212 /nfs/dbraw/zinc/23/22/12/230232212.db2.gz HYPNYEORXNNCFL-GVDBMIGSSA-N 1 3 302.466 2.272 20 0 DEADHO Cc1cccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2CN)N2CCOCC2)c1 ZINC000422860238 230248989 /nfs/dbraw/zinc/24/89/89/230248989.db2.gz LDOVTICGUARNGJ-QRVBRYPASA-N 1 3 317.477 2.085 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000422901211 230267061 /nfs/dbraw/zinc/26/70/61/230267061.db2.gz KQWVIGAWQIGANN-BHYGNILZSA-N 1 3 317.433 2.021 20 0 DEADHO N[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl ZINC000422907108 230273604 /nfs/dbraw/zinc/27/36/04/230273604.db2.gz WOLQKQMZXHEFFV-YUSALJHKSA-N 1 3 319.232 2.203 20 0 DEADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cnccc1N ZINC000422912010 230275246 /nfs/dbraw/zinc/27/52/46/230275246.db2.gz MBVOBSBEDODWRE-KFWWJZLASA-N 1 3 306.454 2.034 20 0 DEADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+])Oc1ccccc1Cl ZINC000422923689 230280089 /nfs/dbraw/zinc/28/00/89/230280089.db2.gz SMQYLQSCTLZWPM-UKTARXLSSA-N 1 3 312.841 2.449 20 0 DEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCc1ccc2c(c1)OCCO2 ZINC000422927570 230281461 /nfs/dbraw/zinc/28/14/61/230281461.db2.gz GTXSFKDWBYWXRJ-CVEARBPZSA-N 1 3 304.434 2.498 20 0 DEADHO C[C@H](Nc1cccc(CN2CCC(CO)CC2)c1)[C@H]1CCC[NH2+]1 ZINC000422975550 230302132 /nfs/dbraw/zinc/30/21/32/230302132.db2.gz BKBSKPDERMBAEP-HNAYVOBHSA-N 1 3 317.477 2.443 20 0 DEADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1cnccc1N ZINC000422992720 230309916 /nfs/dbraw/zinc/30/99/16/230309916.db2.gz QFVRZWZVSNOVGS-AWEZNQCLSA-N 1 3 311.433 2.456 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCC1(c2ccc(F)cc2F)CC1 ZINC000423010523 230315823 /nfs/dbraw/zinc/31/58/23/230315823.db2.gz GTAKNAZAEWNOOA-GHJWDPDVSA-N 1 3 310.388 2.338 20 0 DEADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2F)CC1 ZINC000423010523 230315824 /nfs/dbraw/zinc/31/58/24/230315824.db2.gz GTAKNAZAEWNOOA-GHJWDPDVSA-N 1 3 310.388 2.338 20 0 DEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000423010410 230315991 /nfs/dbraw/zinc/31/59/91/230315991.db2.gz GEWZBZISUJMEDU-SQNIBIBYSA-N 1 3 315.461 2.142 20 0 DEADHO Cc1ccc(C[C@H](CO)N[C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000423060303 230332479 /nfs/dbraw/zinc/33/24/79/230332479.db2.gz ODCIZFLKUWCREB-DBVUQKKJSA-N 1 3 312.457 2.447 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000423068796 230336414 /nfs/dbraw/zinc/33/64/14/230336414.db2.gz CRYUDLAKFDMMTI-SUMWQHHRSA-N 1 3 317.408 2.242 20 0 DEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000423073026 230336874 /nfs/dbraw/zinc/33/68/74/230336874.db2.gz ICTWIVUOUJUMTM-RANZSIQMSA-N 1 3 306.425 2.399 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000423073026 230336881 /nfs/dbraw/zinc/33/68/81/230336881.db2.gz ICTWIVUOUJUMTM-RANZSIQMSA-N 1 3 306.425 2.399 20 0 DEADHO C[C@H]1CC[NH2+]C[C@H]1NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000423098918 230350666 /nfs/dbraw/zinc/35/06/66/230350666.db2.gz DKFUYCKYECMMHX-HNAYVOBHSA-N 1 3 317.477 2.247 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)CCCC[NH+](C)C)C2)cc1 ZINC000634457369 424843584 /nfs/dbraw/zinc/84/35/84/424843584.db2.gz XEIKPLCCGOTTQB-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO C[C@H](NC(=O)[C@@H](C)[C@H](N)c1ccccc1)C1CC[NH+](C)CC1 ZINC000396487141 424921264 /nfs/dbraw/zinc/92/12/64/424921264.db2.gz KVPLKJMFLYTAAZ-ZQIUZPCESA-N 1 3 303.450 2.169 20 0 DEADHO CC(C)([NH3+])CCC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000309579369 424893289 /nfs/dbraw/zinc/89/32/89/424893289.db2.gz UDNYLPCLIAFXEQ-MRXNPFEDSA-N 1 3 303.450 2.285 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)c1ccc(CN(C)C)cc1 ZINC000650178359 424958144 /nfs/dbraw/zinc/95/81/44/424958144.db2.gz MRMAPGCSHGJYSP-UHFFFAOYSA-N 1 3 305.466 2.456 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)c1ccc(CN(C)C)cc1 ZINC000650178359 424958148 /nfs/dbraw/zinc/95/81/48/424958148.db2.gz MRMAPGCSHGJYSP-UHFFFAOYSA-N 1 3 305.466 2.456 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CNCCC1(F)F)CC(C)C ZINC000649285320 424983563 /nfs/dbraw/zinc/98/35/63/424983563.db2.gz JRHUVEOMYPUBTD-KBPBESRZSA-N 1 3 319.440 2.104 20 0 DEADHO CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000649293727 424986642 /nfs/dbraw/zinc/98/66/42/424986642.db2.gz GUEHPRMGTJIKCW-DLBZAZTESA-N 1 3 315.461 2.328 20 0 DEADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCNc1ccc(C(F)(F)F)cn1 ZINC000422829753 424987366 /nfs/dbraw/zinc/98/73/66/424987366.db2.gz HWKAAZZRYZCNRY-WCQYABFASA-N 1 3 316.371 2.619 20 0 DEADHO Cc1nc(C)c(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000650706979 425040114 /nfs/dbraw/zinc/04/01/14/425040114.db2.gz WFNWMOHPHAEMGS-RRFJBIMHSA-N 1 3 309.479 2.478 20 0 DEADHO CCO[C@@H]1CN(C[C@@H](C)Cc2ccc(OC)c(F)c2)C[C@H]1C[NH3+] ZINC000650714525 425041252 /nfs/dbraw/zinc/04/12/52/425041252.db2.gz LBZXDRWSEPRXGL-JCKWVBRZSA-N 1 3 324.440 2.309 20 0 DEADHO CC[N@H+](CCCNC(=O)N[C@H]1CCCN(C)C1)C1CCCCC1 ZINC000650725382 425042372 /nfs/dbraw/zinc/04/23/72/425042372.db2.gz ZLJXNXNJPOAQFK-INIZCTEOSA-N 1 3 324.513 2.425 20 0 DEADHO CC[N@@H+](CCCNC(=O)N[C@H]1CCCN(C)C1)C1CCCCC1 ZINC000650725382 425042375 /nfs/dbraw/zinc/04/23/75/425042375.db2.gz ZLJXNXNJPOAQFK-INIZCTEOSA-N 1 3 324.513 2.425 20 0 DEADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000650757949 425048453 /nfs/dbraw/zinc/04/84/53/425048453.db2.gz FJUKFYJCRWNBKF-AWEZNQCLSA-N 1 3 322.416 2.233 20 0 DEADHO c1ccc2nc(NCCNC3CC[NH+](C4CC4)CC3)ccc2c1 ZINC000459350217 425105613 /nfs/dbraw/zinc/10/56/13/425105613.db2.gz BOTDDEABHMXLJP-UHFFFAOYSA-N 1 3 310.445 2.863 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)N(C)CC1(N(C)C)CCC1 ZINC000651195598 425115460 /nfs/dbraw/zinc/11/54/60/425115460.db2.gz SNFBROKLSUEJNO-UHFFFAOYSA-N 1 3 312.502 2.090 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)N(C)CC1(N(C)C)CCC1 ZINC000651195598 425115462 /nfs/dbraw/zinc/11/54/62/425115462.db2.gz SNFBROKLSUEJNO-UHFFFAOYSA-N 1 3 312.502 2.090 20 0 DEADHO CCN(C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1)[C@H]1CCN(CC)C1 ZINC000666751956 425173912 /nfs/dbraw/zinc/17/39/12/425173912.db2.gz APMSOCCBRHDFPC-IRXDYDNUSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000666760843 425177831 /nfs/dbraw/zinc/17/78/31/425177831.db2.gz OMYJDFIDKJXQJQ-YESZJQIVSA-N 1 3 324.513 2.231 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000666760843 425177836 /nfs/dbraw/zinc/17/78/36/425177836.db2.gz OMYJDFIDKJXQJQ-YESZJQIVSA-N 1 3 324.513 2.231 20 0 DEADHO Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000660657702 425193427 /nfs/dbraw/zinc/19/34/27/425193427.db2.gz ZRMIBNQWYYPHRS-IEBWSBKVSA-N 1 3 318.461 2.152 20 0 DEADHO Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000660657702 425193430 /nfs/dbraw/zinc/19/34/30/425193430.db2.gz ZRMIBNQWYYPHRS-IEBWSBKVSA-N 1 3 318.461 2.152 20 0 DEADHO CCN(C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[C@H]1CCN(C)C1 ZINC000663654572 425205878 /nfs/dbraw/zinc/20/58/78/425205878.db2.gz HZTDNOBVELVEJT-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO CCN(C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[C@H]1CCN(C)C1 ZINC000663654572 425205884 /nfs/dbraw/zinc/20/58/84/425205884.db2.gz HZTDNOBVELVEJT-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H](CO)CCF)CC1 ZINC000652018522 425161735 /nfs/dbraw/zinc/16/17/35/425161735.db2.gz WBPWDNVRNIVPKQ-CRAIPNDOSA-N 1 3 308.441 2.392 20 0 DEADHO Cc1ccccc1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000663459372 425162764 /nfs/dbraw/zinc/16/27/64/425162764.db2.gz BLDXCSJOCBFVAX-INIZCTEOSA-N 1 3 320.481 2.066 20 0 DEADHO Cc1ccccc1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000663459372 425162770 /nfs/dbraw/zinc/16/27/70/425162770.db2.gz BLDXCSJOCBFVAX-INIZCTEOSA-N 1 3 320.481 2.066 20 0 DEADHO Cc1ccc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c(C)n1 ZINC000652349705 425244396 /nfs/dbraw/zinc/24/43/96/425244396.db2.gz ZTXFAIOCVXGDKT-BZSNNMDCSA-N 1 3 303.450 2.417 20 0 DEADHO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](C)[C@@H]2CCN)cc1 ZINC000652354756 425247573 /nfs/dbraw/zinc/24/75/73/425247573.db2.gz HHUYXSUURZNDGE-YOEHRIQHSA-N 1 3 319.449 2.473 20 0 DEADHO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](C)[C@@H]2CCN)cc1 ZINC000652354756 425247575 /nfs/dbraw/zinc/24/75/75/425247575.db2.gz HHUYXSUURZNDGE-YOEHRIQHSA-N 1 3 319.449 2.473 20 0 DEADHO COc1ccc(NC(=O)CCN2CCC[C@H](C)[C@@H]2CC[NH3+])cc1 ZINC000652354756 425247580 /nfs/dbraw/zinc/24/75/80/425247580.db2.gz HHUYXSUURZNDGE-YOEHRIQHSA-N 1 3 319.449 2.473 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000661095495 425322621 /nfs/dbraw/zinc/32/26/21/425322621.db2.gz LJCOXZIASMNSMS-GJZGRUSLSA-N 1 3 324.513 2.279 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661095495 425322623 /nfs/dbraw/zinc/32/26/23/425322623.db2.gz LJCOXZIASMNSMS-GJZGRUSLSA-N 1 3 324.513 2.279 20 0 DEADHO COCc1csc(C[NH2+]C2CCN(CCN(C)C)CC2)c1 ZINC000657305788 425296973 /nfs/dbraw/zinc/29/69/73/425296973.db2.gz LETLGPXGPNLFIF-UHFFFAOYSA-N 1 3 311.495 2.010 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)NCCC1(C[NH3+])CC1 ZINC000652597732 425300244 /nfs/dbraw/zinc/30/02/44/425300244.db2.gz KLWHMUSNXJJQST-UHFFFAOYSA-N 1 3 304.438 2.041 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000661070707 425313042 /nfs/dbraw/zinc/31/30/42/425313042.db2.gz GBMGZPNACNHZTE-GDBMZVCRSA-N 1 3 322.497 2.175 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000661070707 425313046 /nfs/dbraw/zinc/31/30/46/425313046.db2.gz GBMGZPNACNHZTE-GDBMZVCRSA-N 1 3 322.497 2.175 20 0 DEADHO CC[C@@H]1C[C@@H]([NH2+]CCc2ccc(OCCN(C)C)cc2)CO1 ZINC000657351691 425313865 /nfs/dbraw/zinc/31/38/65/425313865.db2.gz SIJSCDLJUCNOMS-IAGOWNOFSA-N 1 3 306.450 2.327 20 0 DEADHO CC[NH+]1CCC(CNC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000654419227 425348435 /nfs/dbraw/zinc/34/84/35/425348435.db2.gz NHUQQFMURBNIFZ-SJORKVTESA-N 1 3 322.497 2.034 20 0 DEADHO CCCC[N@H+](C)CCNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654440608 425354123 /nfs/dbraw/zinc/35/41/23/425354123.db2.gz OTNAEWMFXRZSAE-CVEARBPZSA-N 1 3 310.486 2.034 20 0 DEADHO CCCC[N@@H+](C)CCNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654440608 425354126 /nfs/dbraw/zinc/35/41/26/425354126.db2.gz OTNAEWMFXRZSAE-CVEARBPZSA-N 1 3 310.486 2.034 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CC3(C)C)CC2)CC1 ZINC000654575663 425386501 /nfs/dbraw/zinc/38/65/01/425386501.db2.gz IUHXTSDAXULZNT-MRXNPFEDSA-N 1 3 307.482 2.097 20 0 DEADHO CNC(=O)CC1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000657762551 425397797 /nfs/dbraw/zinc/39/77/97/425397797.db2.gz KUMWFGSWCXKWBH-HZPDHXFCSA-N 1 3 307.482 2.289 20 0 DEADHO CNC(=O)CC1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000657762551 425397800 /nfs/dbraw/zinc/39/78/00/425397800.db2.gz KUMWFGSWCXKWBH-HZPDHXFCSA-N 1 3 307.482 2.289 20 0 DEADHO CNC(=O)CC1(C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)CCCCC1 ZINC000657762551 425397801 /nfs/dbraw/zinc/39/78/01/425397801.db2.gz KUMWFGSWCXKWBH-HZPDHXFCSA-N 1 3 307.482 2.289 20 0 DEADHO CO[C@@]1(C)C[C@H]1NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000657788938 425400732 /nfs/dbraw/zinc/40/07/32/425400732.db2.gz ZOXZFEKHOXTBPY-MOPGFXCFSA-N 1 3 317.477 2.484 20 0 DEADHO CCOC1CCC([NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)CC1 ZINC000657879326 425412755 /nfs/dbraw/zinc/41/27/55/425412755.db2.gz NUNNPZGOWVAXPQ-UPTPFMHGSA-N 1 3 309.498 2.092 20 0 DEADHO C[C@H](NC(=O)N[C@@H]1CCCN2CCCC[C@H]12)C(C)(C)C[NH+](C)C ZINC000654482232 425365310 /nfs/dbraw/zinc/36/53/10/425365310.db2.gz DNQGQLGMZXNDOG-ARFHVFGLSA-N 1 3 324.513 2.279 20 0 DEADHO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)C1 ZINC000657595628 425372022 /nfs/dbraw/zinc/37/20/22/425372022.db2.gz IZFDPNUGEQXDLE-IPMKNSEASA-N 1 3 318.461 2.300 20 0 DEADHO Cc1ncc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cn1 ZINC000657612239 425374737 /nfs/dbraw/zinc/37/47/37/425374737.db2.gz JZRIGUGYARCGBT-UHFFFAOYSA-N 1 3 311.433 2.182 20 0 DEADHO Cc1n[nH]cc1[C@@H](C)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000658068652 425432434 /nfs/dbraw/zinc/43/24/34/425432434.db2.gz XWZREUNHFLDJFZ-CYBMUJFWSA-N 1 3 306.454 2.260 20 0 DEADHO C[C@H]([NH2+][C@H](CO)C1CCC1)c1cccc(OCCN(C)C)c1 ZINC000658089370 425437476 /nfs/dbraw/zinc/43/74/76/425437476.db2.gz ZUJSIMHBLULXGZ-KBXCAEBGSA-N 1 3 306.450 2.439 20 0 DEADHO COC1CCC([NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)CC1 ZINC000658135964 425442281 /nfs/dbraw/zinc/44/22/81/425442281.db2.gz FYEKOIVCUVGEPS-JLAWEPINSA-N 1 3 318.461 2.300 20 0 DEADHO COC1([C@H](C)[NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)CCC1 ZINC000658141653 425444706 /nfs/dbraw/zinc/44/47/06/425444706.db2.gz XLOZMKCMMCZNIW-MAUKXSAKSA-N 1 3 318.461 2.300 20 0 DEADHO CCCN1CC[C@@H](NC(=O)Nc2cccc(C[NH2+]CC)c2)C1 ZINC000659018042 425520675 /nfs/dbraw/zinc/52/06/75/425520675.db2.gz DADLQQICPJEAPZ-MRXNPFEDSA-N 1 3 304.438 2.402 20 0 DEADHO Nc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000665272811 425534534 /nfs/dbraw/zinc/53/45/34/425534534.db2.gz LTSMPIJAMCKXHK-XWTMOSNGSA-N 1 3 301.434 2.003 20 0 DEADHO [NH3+]CCOc1ccc(NC(=O)C[C@H]2NCc3ccccc32)cc1 ZINC000659302760 425571642 /nfs/dbraw/zinc/57/16/42/425571642.db2.gz LFMLXQUPBFKOBM-QGZVFWFLSA-N 1 3 311.385 2.197 20 0 DEADHO Cc1ccc(CCC[NH+]2CCC(N3CC[C@@H](O)C3)CC2)cc1 ZINC000662152855 425576817 /nfs/dbraw/zinc/57/68/17/425576817.db2.gz IDKGUKSQNKFPFB-LJQANCHMSA-N 1 3 302.462 2.459 20 0 DEADHO O[C@H]1CCN(C2CC[NH+](CCCOCc3ccccc3)CC2)C1 ZINC000662153721 425578050 /nfs/dbraw/zinc/57/80/50/425578050.db2.gz TUMNEOYYNUIXSD-IBGZPJMESA-N 1 3 318.461 2.124 20 0 DEADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C[C@@H]1NCc2ccccc21 ZINC000659325696 425578212 /nfs/dbraw/zinc/57/82/12/425578212.db2.gz XKCKPWZHDYYNQG-XOKHGSTOSA-N 1 3 301.434 2.020 20 0 DEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C[C@@H]1NCc2ccccc21 ZINC000659325696 425578214 /nfs/dbraw/zinc/57/82/14/425578214.db2.gz XKCKPWZHDYYNQG-XOKHGSTOSA-N 1 3 301.434 2.020 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)N(C)CC(C)(C)[NH3+])N(C)C)cc1 ZINC000659426901 425600025 /nfs/dbraw/zinc/60/00/25/425600025.db2.gz GRTQIOXQNKCADE-MRXNPFEDSA-N 1 3 320.481 2.230 20 0 DEADHO CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000659474581 425611815 /nfs/dbraw/zinc/61/18/15/425611815.db2.gz VCEMOPGSGDGDCT-ZACQAIPSSA-N 1 3 318.465 2.104 20 0 DEADHO CN(CCOc1ccc(Cl)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249894 425601453 /nfs/dbraw/zinc/60/14/53/425601453.db2.gz UOFNKYNDNNIYLT-OAHLLOKOSA-N 1 3 310.825 2.172 20 0 DEADHO c1cc([C@@H]2CCCN2C[C@@H]2CCC3(C[NH2+]C3)O2)cc2c1OCO2 ZINC000662255832 425604385 /nfs/dbraw/zinc/60/43/85/425604385.db2.gz FBHAGJVPNSWWSJ-GJZGRUSLSA-N 1 3 316.401 2.073 20 0 DEADHO C[C@@H]1CCN(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)[C@H](C[NH3+])C1 ZINC000659451243 425606043 /nfs/dbraw/zinc/60/60/43/425606043.db2.gz CQVOHEIMDOSFIS-UGUYLWEFSA-N 1 3 310.486 2.018 20 0 DEADHO CCC[N@H+](C)CC(C)(C)NC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000665355412 425550227 /nfs/dbraw/zinc/55/02/27/425550227.db2.gz SZBSDGMFRKFTPS-CQSZACIVSA-N 1 3 312.502 2.279 20 0 DEADHO CCC[N@@H+](C)CC(C)(C)NC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000665355412 425550231 /nfs/dbraw/zinc/55/02/31/425550231.db2.gz SZBSDGMFRKFTPS-CQSZACIVSA-N 1 3 312.502 2.279 20 0 DEADHO CN(C)CC1(C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)CCCC1 ZINC000655755353 425646446 /nfs/dbraw/zinc/64/64/46/425646446.db2.gz ZLUSWVSIARDGTP-GOSISDBHSA-N 1 3 323.525 2.341 20 0 DEADHO CC[C@@H]([NH2+]C)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000662421206 425646966 /nfs/dbraw/zinc/64/69/66/425646966.db2.gz VNTXSSPJNZSOKI-IAGOWNOFSA-N 1 3 303.450 2.155 20 0 DEADHO O=C(C[C@H]1NCc2ccccc21)N1CCC([NH2+]CC2CC2)CC1 ZINC000662420509 425647600 /nfs/dbraw/zinc/64/76/00/425647600.db2.gz AWDNJTWAZSZRSV-GOSISDBHSA-N 1 3 313.445 2.212 20 0 DEADHO Cc1ccc([C@H](CNC(=O)C[NH2+]C(C)C)N2CCCC2)cc1 ZINC000662426210 425648435 /nfs/dbraw/zinc/64/84/35/425648435.db2.gz UYFBBSBTVDPOPM-KRWDZBQOSA-N 1 3 303.450 2.246 20 0 DEADHO CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000662441126 425651654 /nfs/dbraw/zinc/65/16/54/425651654.db2.gz JHAAEDHITBYAJP-DLBZAZTESA-N 1 3 309.498 2.474 20 0 DEADHO CO[C@@](C)(CO)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000655787542 425655482 /nfs/dbraw/zinc/65/54/82/425655482.db2.gz YJNULPCDTLTHPX-FCGDIQPGSA-N 1 3 318.461 2.169 20 0 DEADHO CO[C@@](C)(CO)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000655787542 425655484 /nfs/dbraw/zinc/65/54/84/425655484.db2.gz YJNULPCDTLTHPX-FCGDIQPGSA-N 1 3 318.461 2.169 20 0 DEADHO CC[C@@H](NC)C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000662467149 425658192 /nfs/dbraw/zinc/65/81/92/425658192.db2.gz PQMXLEMEIACFPM-MRXNPFEDSA-N 1 3 319.449 2.406 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000662469173 425658706 /nfs/dbraw/zinc/65/87/06/425658706.db2.gz ZUOIMLJSQXSHFQ-JQHSSLGASA-N 1 3 317.477 2.496 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)C[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000662492820 425665374 /nfs/dbraw/zinc/66/53/74/425665374.db2.gz SHZTZWBRMMBCON-JQHSSLGASA-N 1 3 315.461 2.155 20 0 DEADHO CN[C@@H](C)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000662501621 425667536 /nfs/dbraw/zinc/66/75/36/425667536.db2.gz CQWNFLYYVDTHNO-SZMVWBNQSA-N 1 3 315.461 2.107 20 0 DEADHO CN[C@@H](C)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000662501621 425667541 /nfs/dbraw/zinc/66/75/41/425667541.db2.gz CQWNFLYYVDTHNO-SZMVWBNQSA-N 1 3 315.461 2.107 20 0 DEADHO CO[C@H](CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1)[C@H]1CCOC1 ZINC000659864926 425674053 /nfs/dbraw/zinc/67/40/53/425674053.db2.gz NNOLTRRMELWHQG-CEXWTWQISA-N 1 3 324.509 2.482 20 0 DEADHO CO[C@H](C[N@@H+]1CCC[C@H](CN2CCC(C)CC2)C1)[C@H]1CCOC1 ZINC000659864926 425674056 /nfs/dbraw/zinc/67/40/56/425674056.db2.gz NNOLTRRMELWHQG-CEXWTWQISA-N 1 3 324.509 2.482 20 0 DEADHO CO[C@H](C[N@H+]1CCC[C@H](CN2CCC(C)CC2)C1)[C@H]1CCOC1 ZINC000659864926 425674060 /nfs/dbraw/zinc/67/40/60/425674060.db2.gz NNOLTRRMELWHQG-CEXWTWQISA-N 1 3 324.509 2.482 20 0 DEADHO CC(C)[N@H+](C)CC1CCN([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)CC1 ZINC000659877109 425678672 /nfs/dbraw/zinc/67/86/72/425678672.db2.gz PTEFMPCKQNSDHN-RCCFBDPRSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)CC1 ZINC000659877109 425678673 /nfs/dbraw/zinc/67/86/73/425678673.db2.gz PTEFMPCKQNSDHN-RCCFBDPRSA-N 1 3 321.509 2.486 20 0 DEADHO C[C@@H]1CCCN(C(C)(C)C[NH2+]C2CCN([C@H]3CCOC3)CC2)C1 ZINC000655698737 425631258 /nfs/dbraw/zinc/63/12/58/425631258.db2.gz WCTCTEYPIDBLEV-AEFFLSMTSA-N 1 3 323.525 2.340 20 0 DEADHO C[C@@H](C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)N1CCC(C)CC1 ZINC000655703234 425632761 /nfs/dbraw/zinc/63/27/61/425632761.db2.gz NVEOMVNRQKHIJI-HKUYNNGSSA-N 1 3 323.525 2.340 20 0 DEADHO C[C@@H]1CC[C@@H]([NH2+]C2CCN(C3CCN(C)CC3)CC2)CS1 ZINC000655713456 425635057 /nfs/dbraw/zinc/63/50/57/425635057.db2.gz MWOFJKXMOKRRDK-GDBMZVCRSA-N 1 3 311.539 2.419 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cccc3c2CNC3)C1 ZINC000662386599 425638605 /nfs/dbraw/zinc/63/86/05/425638605.db2.gz KTFHXUOLPKRFBI-GASCZTMLSA-N 1 3 315.461 2.388 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cccc3c2CNC3)C1 ZINC000662386599 425638609 /nfs/dbraw/zinc/63/86/09/425638609.db2.gz KTFHXUOLPKRFBI-GASCZTMLSA-N 1 3 315.461 2.388 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H](C)C1(C)CC1 ZINC000665759366 425640668 /nfs/dbraw/zinc/64/06/68/425640668.db2.gz DOXXLILFBITJOV-GJZGRUSLSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H](C)C1(C)CC1 ZINC000665759366 425640669 /nfs/dbraw/zinc/64/06/69/425640669.db2.gz DOXXLILFBITJOV-GJZGRUSLSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(CC1CC1)C1CCC1 ZINC000665762995 425641077 /nfs/dbraw/zinc/64/10/77/425641077.db2.gz WSRFEMZPPUYVAL-HNNXBMFYSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(CC1CC1)C1CCC1 ZINC000665762995 425641080 /nfs/dbraw/zinc/64/10/80/425641080.db2.gz WSRFEMZPPUYVAL-HNNXBMFYSA-N 1 3 324.513 2.233 20 0 DEADHO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)C[C@H](O)CN(C)C(C)C ZINC000660099145 425737118 /nfs/dbraw/zinc/73/71/18/425737118.db2.gz FCIDUFHCKDATLU-BZUAXINKSA-N 1 3 300.487 2.213 20 0 DEADHO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)C[C@H](O)CN(C)C(C)C ZINC000660099145 425737121 /nfs/dbraw/zinc/73/71/21/425737121.db2.gz FCIDUFHCKDATLU-BZUAXINKSA-N 1 3 300.487 2.213 20 0 DEADHO C[NH2+]Cc1ccccc1CNC(=O)c1cc2c(s1)CCNC2 ZINC000662584967 425685674 /nfs/dbraw/zinc/68/56/74/425685674.db2.gz SHRUZYURMBPZJN-UHFFFAOYSA-N 1 3 315.442 2.043 20 0 DEADHO CC(C)C[C@@H](N)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000662658857 425704224 /nfs/dbraw/zinc/70/42/24/425704224.db2.gz KNMFJLZPFPNBRW-QZTJIDSGSA-N 1 3 317.477 2.135 20 0 DEADHO CC(C)C[C@@H](N)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000662658857 425704227 /nfs/dbraw/zinc/70/42/27/425704227.db2.gz KNMFJLZPFPNBRW-QZTJIDSGSA-N 1 3 317.477 2.135 20 0 DEADHO C[NH+](C)C1(CNC(=O)C2(N)CC3(CCC3)C2)CCCCCC1 ZINC000662667408 425708019 /nfs/dbraw/zinc/70/80/19/425708019.db2.gz ZUJADLBOPVLJAT-UHFFFAOYSA-N 1 3 307.482 2.419 20 0 DEADHO [NH3+]C1(CC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000662683934 425712942 /nfs/dbraw/zinc/71/29/42/425712942.db2.gz XLWPRWSTQHFMTB-INIZCTEOSA-N 1 3 301.434 2.211 20 0 DEADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000660231441 425772662 /nfs/dbraw/zinc/77/26/62/425772662.db2.gz BMKSSWCTANVUDZ-IAGOWNOFSA-N 1 3 306.450 2.088 20 0 DEADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000660231441 425772665 /nfs/dbraw/zinc/77/26/65/425772665.db2.gz BMKSSWCTANVUDZ-IAGOWNOFSA-N 1 3 306.450 2.088 20 0 DEADHO CN1CCN(CCCC[NH2+]CCc2cccc(Cl)c2)CC1 ZINC000656476184 425778920 /nfs/dbraw/zinc/77/89/20/425778920.db2.gz DWRHLHWSJQABIV-UHFFFAOYSA-N 1 3 309.885 2.500 20 0 DEADHO C[C@@H]1CCCCN1CCNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000656538895 425788053 /nfs/dbraw/zinc/78/80/53/425788053.db2.gz JYRHTFHGVXMPOA-CABCVRRESA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1CCCCN1CCNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000656538895 425788056 /nfs/dbraw/zinc/78/80/56/425788056.db2.gz JYRHTFHGVXMPOA-CABCVRRESA-N 1 3 310.486 2.033 20 0 DEADHO CCCN1CC[C@H](NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)C1 ZINC000660338675 425795829 /nfs/dbraw/zinc/79/58/29/425795829.db2.gz CKMOLEWCPBFNQN-PMPSAXMXSA-N 1 3 310.486 2.033 20 0 DEADHO CCCN1CC[C@H](NC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)C1 ZINC000660338675 425795834 /nfs/dbraw/zinc/79/58/34/425795834.db2.gz CKMOLEWCPBFNQN-PMPSAXMXSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662846740 425748798 /nfs/dbraw/zinc/74/87/98/425748798.db2.gz ULWPBHBNFWCRDH-HLLBOEOZSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000662886384 425756914 /nfs/dbraw/zinc/75/69/14/425756914.db2.gz FTNRRSZSVSGJMZ-QAETUUGQSA-N 1 3 307.482 2.144 20 0 DEADHO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000666477030 425761745 /nfs/dbraw/zinc/76/17/45/425761745.db2.gz PMIGRRWNNADWLT-RDJZCZTQSA-N 1 3 306.450 2.220 20 0 DEADHO C[C@H]1[C@H](CO)CCC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000666477030 425761748 /nfs/dbraw/zinc/76/17/48/425761748.db2.gz PMIGRRWNNADWLT-RDJZCZTQSA-N 1 3 306.450 2.220 20 0 DEADHO CCN(C(=O)NCC[NH+](C(C)C)C(C)C)[C@@H]1CCN(CC)C1 ZINC000663418982 425837667 /nfs/dbraw/zinc/83/76/67/425837667.db2.gz APQDSDDSJJFJEG-MRXNPFEDSA-N 1 3 312.502 2.231 20 0 DEADHO NC[C@H](C(=O)NCCC[NH+]1CCCCCC1)c1ccccc1 ZINC000237815031 268603599 /nfs/dbraw/zinc/60/35/99/268603599.db2.gz GBFIXDAWMXXMNI-KRWDZBQOSA-N 1 3 303.450 2.111 20 0 DEADHO [NH3+]CCCC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000370764090 269082853 /nfs/dbraw/zinc/08/28/53/269082853.db2.gz VJAPRFXCEDZPFB-LJQANCHMSA-N 1 3 315.461 2.240 20 0 DEADHO COc1ccc2ccccc2c1CN1CCC(O)(C[NH3+])CC1 ZINC000397011648 269104789 /nfs/dbraw/zinc/10/47/89/269104789.db2.gz NHJWVHNNRPMEMT-UHFFFAOYSA-N 1 3 300.402 2.134 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000398132419 269107902 /nfs/dbraw/zinc/10/79/02/269107902.db2.gz JYZYOPJOZZDKHL-NJAFHUGGSA-N 1 3 315.461 2.013 20 0 DEADHO [NH3+][C@H](C(=O)NC[C@@H](c1ccccc1)N1CCCC1)C1CCC1 ZINC000398952739 269110196 /nfs/dbraw/zinc/11/01/96/269110196.db2.gz CWOJUAUEWWTISU-IRXDYDNUSA-N 1 3 301.434 2.067 20 0 DEADHO [NH3+][C@@H](C(=O)NC[C@@H]1CCCCN1Cc1ccccc1)C1CCC1 ZINC000398989435 269110754 /nfs/dbraw/zinc/11/07/54/269110754.db2.gz KFVWVMLOBNQRQC-ZWKOTPCHSA-N 1 3 315.461 2.285 20 0 DEADHO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCCN1C ZINC000495636731 269162724 /nfs/dbraw/zinc/16/27/24/269162724.db2.gz BZRPZCUQWUWEIT-HOTGVXAUSA-N 1 3 311.470 2.461 20 0 DEADHO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1CC[C@@H]1CCCN1C ZINC000495636731 269162726 /nfs/dbraw/zinc/16/27/26/269162726.db2.gz BZRPZCUQWUWEIT-HOTGVXAUSA-N 1 3 311.470 2.461 20 0 DEADHO CC[NH+](CC)CCCC1CCN(C[C@@H]2CN(C)C(=O)O2)CC1 ZINC000495733244 269173078 /nfs/dbraw/zinc/17/30/78/269173078.db2.gz ZOWYLEFSSMOJHX-INIZCTEOSA-N 1 3 311.470 2.271 20 0 DEADHO C[C@H](C[N@@H+]1CC[C@@]2(C1)CCCN(C)C2)NC(=O)OC(C)(C)C ZINC000496558204 269229619 /nfs/dbraw/zinc/22/96/19/269229619.db2.gz GLOAIAGPKHGKJN-PBHICJAKSA-N 1 3 311.470 2.317 20 0 DEADHO C[C@H](C[N@H+]1CC[C@@]2(C1)CCCN(C)C2)NC(=O)OC(C)(C)C ZINC000496558204 269229620 /nfs/dbraw/zinc/22/96/20/269229620.db2.gz GLOAIAGPKHGKJN-PBHICJAKSA-N 1 3 311.470 2.317 20 0 DEADHO COc1cc2c(cc1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1)O[C@H](C)C2 ZINC000515615415 269352625 /nfs/dbraw/zinc/35/26/25/269352625.db2.gz ZWPYOPBTRSSQFV-OAUYIBNBSA-N 1 3 316.445 2.496 20 0 DEADHO OC1CCN(Cc2ccccc2C[NH2+]CC2(O)CCCC2)CC1 ZINC000517231307 269380556 /nfs/dbraw/zinc/38/05/56/269380556.db2.gz ZHZGRXVZPHRRMI-UHFFFAOYSA-N 1 3 318.461 2.038 20 0 DEADHO O[C@H]1CCCC[C@@H]1CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000519698444 269423240 /nfs/dbraw/zinc/42/32/40/269423240.db2.gz NGJBXPSRWLGOMY-QSOKESPWSA-N 1 3 316.445 2.383 20 0 DEADHO CN1CCC(O)(C[NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000269065678 273870972 /nfs/dbraw/zinc/87/09/72/273870972.db2.gz VKJSTZAHVSKVRP-INIZCTEOSA-N 1 3 306.475 2.063 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418556696 275999190 /nfs/dbraw/zinc/99/91/90/275999190.db2.gz YRDZNVMZVYIILL-QGZVFWFLSA-N 1 3 324.513 2.426 20 0 DEADHO CC(C)[C@H](C(=O)N1CCN(CC2CCCCC2)CC1)[C@@H](C)[NH3+] ZINC000423321165 276011710 /nfs/dbraw/zinc/01/17/10/276011710.db2.gz MWWNMWISINLOPR-WBVHZDCISA-N 1 3 309.498 2.330 20 0 DEADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cccc3c[nH]nc32)C1 ZINC000354098534 276100422 /nfs/dbraw/zinc/10/04/22/276100422.db2.gz XYOIPWPFMBLOQZ-QGZVFWFLSA-N 1 3 316.449 2.496 20 0 DEADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H](N)C(C)(C)C)C2)CC1 ZINC000236712083 276199089 /nfs/dbraw/zinc/19/90/89/276199089.db2.gz CRTVQGZIEGSVGV-HZPDHXFCSA-N 1 3 309.498 2.330 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+][C@H]2CCO[C@@H](C)C2)CC1 ZINC000354709066 276203599 /nfs/dbraw/zinc/20/35/99/276203599.db2.gz PSOJJLBCHZMJSI-WMZOPIPTSA-N 1 3 317.477 2.486 20 0 DEADHO CCN1CC[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000246877773 276228672 /nfs/dbraw/zinc/22/86/72/276228672.db2.gz CXSYDXYEGDOCEF-FJIDUMEYSA-N 1 3 311.514 2.196 20 0 DEADHO CCOc1cccc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422992484 276379515 /nfs/dbraw/zinc/37/95/15/276379515.db2.gz CRKMCCWKYSVAQP-GBESFXJTSA-N 1 3 318.461 2.375 20 0 DEADHO C[NH2+]CC1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000237087770 277021088 /nfs/dbraw/zinc/02/10/88/277021088.db2.gz ULTFWZGECPMJRM-UHFFFAOYSA-N 1 3 315.461 2.354 20 0 DEADHO CN1CCC[C@@H]1CC[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000360781231 277060376 /nfs/dbraw/zinc/06/03/76/277060376.db2.gz KNKWJVHQJAKYJS-MRXNPFEDSA-N 1 3 317.481 2.278 20 0 DEADHO COC[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000422938369 277264162 /nfs/dbraw/zinc/26/41/62/277264162.db2.gz PMMNARMZUTTWND-BQFCYCMXSA-N 1 3 302.418 2.257 20 0 DEADHO CC(C)N1CCN(C2CC[NH+](C[C@@H]3CCC(C)(C)O3)CC2)CC1 ZINC000373452120 277609305 /nfs/dbraw/zinc/60/93/05/277609305.db2.gz IZBINPPDKYUFSS-SFHVURJKSA-N 1 3 323.525 2.434 20 0 DEADHO CO[C@@H](CN)c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000356889503 277629877 /nfs/dbraw/zinc/62/98/77/277629877.db2.gz HVFISOBZCWSYIW-HNNXBMFYSA-N 1 3 316.405 2.369 20 0 DEADHO C[C@H](CNC(=O)c1ccc2c(c1)CNC2)C[NH+]1CCCCC1 ZINC000317187091 278207324 /nfs/dbraw/zinc/20/73/24/278207324.db2.gz WQGURMYKZVZZBI-CQSZACIVSA-N 1 3 301.434 2.142 20 0 DEADHO CC(=O)Nc1cccc(OCCN[C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422938319 278209055 /nfs/dbraw/zinc/20/90/55/278209055.db2.gz DPCQFYVYQZRNOX-SUMWQHHRSA-N 1 3 305.422 2.002 20 0 DEADHO C[C@H](N)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000237402706 278224190 /nfs/dbraw/zinc/22/41/90/278224190.db2.gz ZOFMTGVSGIFNGZ-AWEZNQCLSA-N 1 3 311.429 2.379 20 0 DEADHO C[C@@H](Cc1c(Cl)cccc1Cl)NC[C@H]1C[NH2+]CCN1C ZINC000414976822 278296834 /nfs/dbraw/zinc/29/68/34/278296834.db2.gz ORSHZXCRVJQTOA-NWDGAFQWSA-N 1 3 316.276 2.418 20 0 DEADHO C[C@@H](N[C@@H]1C=C[C@H](CO)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274823538 278367058 /nfs/dbraw/zinc/36/70/58/278367058.db2.gz BXTGGMMUGMMZCZ-XGXHKWSGSA-N 1 3 300.446 2.424 20 0 DEADHO C[C@@H](N[C@@H]1C=C[C@H](CO)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274823538 278367059 /nfs/dbraw/zinc/36/70/59/278367059.db2.gz BXTGGMMUGMMZCZ-XGXHKWSGSA-N 1 3 300.446 2.424 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000418243353 278979041 /nfs/dbraw/zinc/97/90/41/278979041.db2.gz WJVBAHJGWOVLBO-ULQDDVLXSA-N 1 3 324.513 2.408 20 0 DEADHO CC[N@H+](C)CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000066988402 279029604 /nfs/dbraw/zinc/02/96/04/279029604.db2.gz ADZUJMYMFOIMBI-KRWDZBQOSA-N 1 3 318.465 2.074 20 0 DEADHO CC[N@@H+](C)CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000066988402 279029605 /nfs/dbraw/zinc/02/96/05/279029605.db2.gz ADZUJMYMFOIMBI-KRWDZBQOSA-N 1 3 318.465 2.074 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H](CN)c2ccc(F)cc2)C1 ZINC000358853890 279123521 /nfs/dbraw/zinc/12/35/21/279123521.db2.gz JEDGCEWXLQHOQP-YOEHRIQHSA-N 1 3 321.440 2.058 20 0 DEADHO C[C@@](C[NH3+])(NCCCc1nc(-c2ccccc2)no1)C1CC1 ZINC000430589867 279149006 /nfs/dbraw/zinc/14/90/06/279149006.db2.gz JGWDRAVQHGCBNP-KRWDZBQOSA-N 1 3 300.406 2.386 20 0 DEADHO CCN(CCNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)C1CC1 ZINC000338474053 279198970 /nfs/dbraw/zinc/19/89/70/279198970.db2.gz GJZZYCQGCVAVLL-KRWDZBQOSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H](C(=O)NCC[N@H+](C)C1CCCC1)[C@@H](N)c1ccccc1 ZINC000237435445 279223876 /nfs/dbraw/zinc/22/38/76/279223876.db2.gz LHMCBCYSMDTYKX-WMLDXEAASA-N 1 3 303.450 2.313 20 0 DEADHO C[C@H](C(=O)NCC[N@@H+](C)C1CCCC1)[C@@H](N)c1ccccc1 ZINC000237435445 279223879 /nfs/dbraw/zinc/22/38/79/279223879.db2.gz LHMCBCYSMDTYKX-WMLDXEAASA-N 1 3 303.450 2.313 20 0 DEADHO CCN1CCC[C@@H](NC(=O)N[C@H](C)C[NH+]2CCCCCC2)C1 ZINC000249417825 279295001 /nfs/dbraw/zinc/29/50/01/279295001.db2.gz GVVGSSJIINSEEJ-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO CCN1CCN(c2ccc(F)cc2[C@@H](C)NCCC[NH2+]C)CC1 ZINC000420373723 279374557 /nfs/dbraw/zinc/37/45/57/279374557.db2.gz MYAKOBMUZPPEHX-OAHLLOKOSA-N 1 3 322.472 2.228 20 0 DEADHO C[C@@H]1CN(C2CCOCC2)CCN1CC[C@@H]1CCCC[N@@H+]1C ZINC000369636247 288135308 /nfs/dbraw/zinc/13/53/08/288135308.db2.gz DWSYLNMMPXSSAD-SJORKVTESA-N 1 3 309.498 2.046 20 0 DEADHO C[C@@H]1CN(C2CCOCC2)CCN1CC[C@@H]1CCCC[N@H+]1C ZINC000369636247 288135310 /nfs/dbraw/zinc/13/53/10/288135310.db2.gz DWSYLNMMPXSSAD-SJORKVTESA-N 1 3 309.498 2.046 20 0 DEADHO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CC[C@@H]2CCCN2C)C[C@H](C)O1 ZINC000125013414 288191892 /nfs/dbraw/zinc/19/18/92/288191892.db2.gz ZOGSDALCLXPRQQ-MHORFTMASA-N 1 3 309.498 2.044 20 0 DEADHO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2CC[C@@H]2CCCN2C)C[C@H](C)O1 ZINC000125013414 288191893 /nfs/dbraw/zinc/19/18/93/288191893.db2.gz ZOGSDALCLXPRQQ-MHORFTMASA-N 1 3 309.498 2.044 20 0 DEADHO C[C@@H]1CN(C[C@@H]2CCCN2CC[C@@H]2CCC[N@@H+]2C)C[C@H](C)O1 ZINC000125013414 288191894 /nfs/dbraw/zinc/19/18/94/288191894.db2.gz ZOGSDALCLXPRQQ-MHORFTMASA-N 1 3 309.498 2.044 20 0 DEADHO C[C@@H]1CN(C[C@@H]2CCCN2CC[C@@H]2CCC[N@H+]2C)C[C@H](C)O1 ZINC000125013414 288191896 /nfs/dbraw/zinc/19/18/96/288191896.db2.gz ZOGSDALCLXPRQQ-MHORFTMASA-N 1 3 309.498 2.044 20 0 DEADHO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000439838064 280132065 /nfs/dbraw/zinc/13/20/65/280132065.db2.gz AZXGFQCBXRPTOZ-ZWKOTPCHSA-N 1 3 319.493 2.480 20 0 DEADHO O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000439838064 280132069 /nfs/dbraw/zinc/13/20/69/280132069.db2.gz AZXGFQCBXRPTOZ-ZWKOTPCHSA-N 1 3 319.493 2.480 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000247054475 280252616 /nfs/dbraw/zinc/25/26/16/280252616.db2.gz HBNMFBYZGOCQMO-DLBZAZTESA-N 1 3 324.513 2.282 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000358113747 281056113 /nfs/dbraw/zinc/05/61/13/281056113.db2.gz PKWIECWZDSZJTK-RDJZCZTQSA-N 1 3 322.497 2.201 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000358113747 281056116 /nfs/dbraw/zinc/05/61/16/281056116.db2.gz PKWIECWZDSZJTK-RDJZCZTQSA-N 1 3 322.497 2.201 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@H](C)CCCC[NH3+] ZINC000418645732 281459029 /nfs/dbraw/zinc/45/90/29/281459029.db2.gz DKNKNAABVSTIKR-CZUORRHYSA-N 1 3 306.454 2.066 20 0 DEADHO CCc1ccc([C@H](CNC(=O)CN(CC)CC)[NH+](C)C)cc1 ZINC000063654623 281506598 /nfs/dbraw/zinc/50/65/98/281506598.db2.gz JPTISKKWPMBZTQ-KRWDZBQOSA-N 1 3 305.466 2.310 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NC[C@H](C)N2CCC(C)CC2)CC1 ZINC000073099385 281538995 /nfs/dbraw/zinc/53/89/95/281538995.db2.gz UDKIHHPNIGPXQU-INIZCTEOSA-N 1 3 309.498 2.343 20 0 DEADHO CN(C(=O)NC[C@H](c1cccs1)N1CCCC1)C1CC([NH3+])C1 ZINC000416833724 281771956 /nfs/dbraw/zinc/77/19/56/281771956.db2.gz CUFXEZWSMPXOGA-JXQTWKCFSA-N 1 3 322.478 2.016 20 0 DEADHO O=C(C[C@H]1CC[NH2+]C1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000130305393 281936071 /nfs/dbraw/zinc/93/60/71/281936071.db2.gz QXENGZSOUBEYRI-KGLIPLIRSA-N 1 3 307.463 2.001 20 0 DEADHO CN(C[C@H]1CCCN(C)C1)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185185171 282067169 /nfs/dbraw/zinc/06/71/69/282067169.db2.gz OIKJQDIQXQMQOU-INIZCTEOSA-N 1 3 324.513 2.092 20 0 DEADHO C[NH+](C)CCOCCNCc1ccc(Br)cc1 ZINC000226745380 289170135 /nfs/dbraw/zinc/17/01/35/289170135.db2.gz SVBVZPDNDFKIRL-UHFFFAOYSA-N 1 3 301.228 2.117 20 0 DEADHO CN(C)C[C@@H](NC(=O)[C@@H]([NH3+])CC(F)F)c1ccc(Cl)cc1 ZINC000423771912 289188453 /nfs/dbraw/zinc/18/84/53/289188453.db2.gz KEVLFLMIVHXUDZ-NWDGAFQWSA-N 1 3 319.783 2.041 20 0 DEADHO CN(CCN(C)C1CC1)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000185139761 289278975 /nfs/dbraw/zinc/27/89/75/289278975.db2.gz GMLLQOZXHBDINE-KRWDZBQOSA-N 1 3 324.513 2.233 20 0 DEADHO C[NH+](C)[C@@H](CNC(=O)[C@H](CN)c1ccccc1)C1CCCCC1 ZINC000237146128 289285893 /nfs/dbraw/zinc/28/58/93/289285893.db2.gz NLIYIBCAYVABEE-MSOLQXFVSA-N 1 3 317.477 2.356 20 0 DEADHO C[C@H](C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000339731451 289297606 /nfs/dbraw/zinc/29/76/06/289297606.db2.gz NEHXOYVPPTUXLO-KYHPRHEASA-N 1 3 321.509 2.438 20 0 DEADHO C[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)N1[C@H](C)CC[C@@H]1C ZINC000356230481 289300128 /nfs/dbraw/zinc/30/01/28/289300128.db2.gz MDGYBHAHJOSLIG-HPFXQQBRSA-N 1 3 307.482 2.192 20 0 DEADHO C[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)N1[C@H](C)CC[C@@H]1C ZINC000356230481 289300131 /nfs/dbraw/zinc/30/01/31/289300131.db2.gz MDGYBHAHJOSLIG-HPFXQQBRSA-N 1 3 307.482 2.192 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCCN2CCCC(C)(C)C2)C1 ZINC000445106296 289301167 /nfs/dbraw/zinc/30/11/67/289301167.db2.gz FWOFATRUPVNECF-HZPDHXFCSA-N 1 3 324.513 2.280 20 0 DEADHO CN(C)[C@H](CNC(=O)NCC[NH+]1CCCCC1)c1ccccc1 ZINC000298629645 289357524 /nfs/dbraw/zinc/35/75/24/289357524.db2.gz AHFWIMLGDCHXHP-QGZVFWFLSA-N 1 3 318.465 2.074 20 0 DEADHO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CCN2CCCCC2)C[C@@H](C)O1 ZINC000122935983 297019000 /nfs/dbraw/zinc/01/90/00/297019000.db2.gz OIQXTEKMCDXGIM-KURKYZTESA-N 1 3 309.498 2.046 20 0 DEADHO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2CCN2CCCCC2)C[C@@H](C)O1 ZINC000122935983 297019001 /nfs/dbraw/zinc/01/90/01/297019001.db2.gz OIQXTEKMCDXGIM-KURKYZTESA-N 1 3 309.498 2.046 20 0 DEADHO Cn1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(-c2cccnc2)n1 ZINC000346831632 294239030 /nfs/dbraw/zinc/23/90/30/294239030.db2.gz QIYFCKXSRJFVLG-XIRDDKMYSA-N 1 3 311.433 2.041 20 0 DEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000311168988 295250896 /nfs/dbraw/zinc/25/08/96/295250896.db2.gz RROPXPYMVIDXKX-WCQYABFASA-N 1 3 315.259 2.143 20 0 DEADHO N[C@@H](CC1CCCCC1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000423418545 295294551 /nfs/dbraw/zinc/29/45/51/295294551.db2.gz HOEFWHRKLDFYIE-IRXDYDNUSA-N 1 3 307.482 2.228 20 0 DEADHO C[C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)N1CCCCCC1 ZINC000360137671 298030200 /nfs/dbraw/zinc/03/02/00/298030200.db2.gz WAHYRMYKAZOEFB-IAGOWNOFSA-N 1 3 307.482 2.338 20 0 DEADHO C[C@H](CC(=O)N(CCN(C)C)C1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000262318578 298285156 /nfs/dbraw/zinc/28/51/56/298285156.db2.gz QRLJVHWPAOXJAB-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185194350 300215904 /nfs/dbraw/zinc/21/59/04/300215904.db2.gz YEEAONLDJJBEMY-HOTGVXAUSA-N 1 3 324.513 2.090 20 0 DEADHO Cc1ccc([C@H](CN[C@@H]2CCCC[C@H]2C[NH3+])N2CCOCC2)o1 ZINC000422797461 301798483 /nfs/dbraw/zinc/79/84/83/301798483.db2.gz MPMBVDZSYUDONJ-BBWFWOEESA-N 1 3 321.465 2.068 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@H](C)C[NH+](C)C)N(C)C ZINC000357288689 302201500 /nfs/dbraw/zinc/20/15/00/302201500.db2.gz SYRYVECVFQLVAG-INMHGKMJSA-N 1 3 320.481 2.236 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(C/C=C\Cl)CC1 ZINC001424255478 1173717146 /nfs/dbraw/zinc/71/71/46/1173717146.db2.gz CGKPKHMVCCGUJW-VYLZPFMQSA-N 1 3 301.862 2.051 20 0 DEADHO CC(C)n1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000171840847 325724143 /nfs/dbraw/zinc/72/41/43/325724143.db2.gz ZWDKFZMBIJWKTJ-HZPDHXFCSA-N 1 3 308.470 2.443 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC(C1CCC1)C1CCC1 ZINC000573157393 326027939 /nfs/dbraw/zinc/02/79/39/326027939.db2.gz MSBBCYZFGQUKSW-UHFFFAOYSA-N 1 3 324.513 2.090 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CC[NH2+][C@H]2C)N2CCCC2)cc1 ZINC000573320882 326045160 /nfs/dbraw/zinc/04/51/60/326045160.db2.gz PMZNFMGKLQMVNH-JQHSSLGASA-N 1 3 315.461 2.246 20 0 DEADHO C[C@H]1CCCN(CCNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000573916911 326104236 /nfs/dbraw/zinc/10/42/36/326104236.db2.gz ZZZKZDSYXHNSOW-RDJZCZTQSA-N 1 3 303.450 2.315 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000574915568 326200850 /nfs/dbraw/zinc/20/08/50/326200850.db2.gz ITOBSSRAYDBCGV-ZWKOTPCHSA-N 1 3 315.461 2.210 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000575050547 326213443 /nfs/dbraw/zinc/21/34/43/326213443.db2.gz OQTBCQFNAZNZRC-FGTMMUONSA-N 1 3 321.509 2.297 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000575050547 326213444 /nfs/dbraw/zinc/21/34/44/326213444.db2.gz OQTBCQFNAZNZRC-FGTMMUONSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000576105218 326269454 /nfs/dbraw/zinc/26/94/54/326269454.db2.gz PQUIMZKHLMINHD-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C1CC1 ZINC000577409158 326364849 /nfs/dbraw/zinc/36/48/49/326364849.db2.gz RAEVDEWYXMJAFD-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H](C(=O)N(C)CC1CC[NH+](C)CC1)[C@H](N)c1ccccc1 ZINC000388040553 333197785 /nfs/dbraw/zinc/19/77/85/333197785.db2.gz MUKGVVCQNOXGCE-PBHICJAKSA-N 1 3 303.450 2.123 20 0 DEADHO CN(C(=O)[C@@]1(C)CC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388474499 333313220 /nfs/dbraw/zinc/31/32/20/333313220.db2.gz JGRDXQUSXAYESL-MJGOQNOKSA-N 1 3 315.461 2.109 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000582773727 337146514 /nfs/dbraw/zinc/14/65/14/337146514.db2.gz GIUQBLCMYUDDTM-UHFFFAOYSA-N 1 3 304.438 2.483 20 0 DEADHO NC(=O)[C@H]1CC[C@H](C[NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000583078042 337236282 /nfs/dbraw/zinc/23/62/82/337236282.db2.gz VFXVETYRVJJMLT-SHTZXODSSA-N 1 3 307.482 2.275 20 0 DEADHO [NH3+]CCC1CCN(Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000583756663 337330379 /nfs/dbraw/zinc/33/03/79/337330379.db2.gz LZXKYTVTVROMPM-UHFFFAOYSA-N 1 3 319.840 2.482 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H](NC/C=C/Cl)C1)[NH+]1CCCC1 ZINC001376353215 1159355446 /nfs/dbraw/zinc/35/54/46/1159355446.db2.gz PWHKHCIGVCSJTI-CJKAQPIMSA-N 1 3 313.873 2.050 20 0 DEADHO Cc1ccc(NC(=O)N[C@@H](C)C[C@@H](C)[NH3+])c(OCCN(C)C)c1 ZINC000577492665 341912450 /nfs/dbraw/zinc/91/24/50/341912450.db2.gz NDVDPBAZUKNZJB-KGLIPLIRSA-N 1 3 322.453 2.183 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001378191696 1152205857 /nfs/dbraw/zinc/20/58/57/1152205857.db2.gz HFOIXVMRLSVLLC-KGLIPLIRSA-N 1 3 319.440 2.200 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[N@@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001378191696 1152205862 /nfs/dbraw/zinc/20/58/62/1152205862.db2.gz HFOIXVMRLSVLLC-KGLIPLIRSA-N 1 3 319.440 2.200 20 0 DEADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCc1cccs1 ZINC001378251298 1152252723 /nfs/dbraw/zinc/25/27/23/1152252723.db2.gz JHZGGJIEDGLCAH-AWEZNQCLSA-N 1 3 323.506 2.259 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001398463069 1160898681 /nfs/dbraw/zinc/89/86/81/1160898681.db2.gz KQBBLXCBIGNZAR-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001398463069 1160898682 /nfs/dbraw/zinc/89/86/82/1160898682.db2.gz KQBBLXCBIGNZAR-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@H](NC(=O)CN(C)C1CCC1)C1C[NH+](CC2CCCC2)C1 ZINC001378534981 1152365751 /nfs/dbraw/zinc/36/57/51/1152365751.db2.gz SRUDEILORPOPOY-CQSZACIVSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001369561057 1149040742 /nfs/dbraw/zinc/04/07/42/1149040742.db2.gz OFPIVRUMJZFBRM-WBVHZDCISA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001378636297 1152402705 /nfs/dbraw/zinc/40/27/05/1152402705.db2.gz LCGODIJFDNKBCK-ZIAGYGMSSA-N 1 3 319.440 2.104 20 0 DEADHO COc1cc(CCN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])ccc1Cl ZINC000423137489 533770363 /nfs/dbraw/zinc/77/03/63/533770363.db2.gz RCNPDCXTGASSJW-UXIGCNINSA-N 1 3 312.841 2.233 20 0 DEADHO COc1cc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)N)ccc1Cl ZINC000423137489 533770366 /nfs/dbraw/zinc/77/03/66/533770366.db2.gz RCNPDCXTGASSJW-UXIGCNINSA-N 1 3 312.841 2.233 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)N1CCC([NH3+])CC1)c1ccccc1 ZINC000417699671 533781083 /nfs/dbraw/zinc/78/10/83/533781083.db2.gz HOZDKHUQOIKANY-AWEZNQCLSA-N 1 3 318.465 2.249 20 0 DEADHO CSC[C@H](O)CN1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000297617775 533795330 /nfs/dbraw/zinc/79/53/30/533795330.db2.gz LDGKNDANAFRNCO-CQSZACIVSA-N 1 3 317.458 2.081 20 0 DEADHO CSC[C@H](O)C[NH+]1CCN(c2ccnc3ccccc32)CC1 ZINC000297617775 533795341 /nfs/dbraw/zinc/79/53/41/533795341.db2.gz LDGKNDANAFRNCO-CQSZACIVSA-N 1 3 317.458 2.081 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@H](F)CC)CC1 ZINC001401049656 1161864218 /nfs/dbraw/zinc/86/42/18/1161864218.db2.gz KFZZZXXZYHMDFO-RBSFLKMASA-N 1 3 301.450 2.093 20 0 DEADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H](C)CC[NH+](C)C)o1 ZINC000299397284 533885052 /nfs/dbraw/zinc/88/50/52/533885052.db2.gz XGVMNCPFJDTNGG-AWEZNQCLSA-N 1 3 324.469 2.001 20 0 DEADHO CN(CC[N@@H+](C)CCC1CCCCC1)C(=O)CN1CCCC1 ZINC001401440200 1161995485 /nfs/dbraw/zinc/99/54/85/1161995485.db2.gz QYIVLBSRWBAKAG-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCc2sccc2C1 ZINC000422712619 534054140 /nfs/dbraw/zinc/05/41/40/534054140.db2.gz IQIRSTGTKSVYBC-NTQSIJHJSA-N 1 3 305.491 2.367 20 0 DEADHO C[C@H]1CSC[C@@H]1[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000294878179 534067998 /nfs/dbraw/zinc/06/79/98/534067998.db2.gz XHRZMAMQSQVMQY-KSSFIOAISA-N 1 3 320.502 2.484 20 0 DEADHO C[NH+](C)CCCC(=O)N1CC[C@@H]2[C@@H](CCN2C/C=C\Cl)C1 ZINC001401492931 1162020276 /nfs/dbraw/zinc/02/02/76/1162020276.db2.gz NJFXJKOCZJXXFJ-FEDKZRLMSA-N 1 3 313.873 2.004 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001401628396 1162051121 /nfs/dbraw/zinc/05/11/21/1162051121.db2.gz PKWGDKHJOIRLTF-ZBFHGGJFSA-N 1 3 309.498 2.247 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)NC2CCC([NH3+])CC2)N(C)C)cc1 ZINC000417313354 534219307 /nfs/dbraw/zinc/21/93/07/534219307.db2.gz PDNYWFRYFOZMJG-OFLPRAFFSA-N 1 3 318.465 2.167 20 0 DEADHO C[C@@H]([NH3+])C1CCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)CC1 ZINC000417793342 534287827 /nfs/dbraw/zinc/28/78/27/534287827.db2.gz ZXVVSQUFRMOFJO-CZUORRHYSA-N 1 3 303.450 2.298 20 0 DEADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)[C@H](C)CN1 ZINC000418141282 534313999 /nfs/dbraw/zinc/31/39/99/534313999.db2.gz KVCDCUASUSJRMX-INMHGKMJSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)[C@H](C)CN1 ZINC000418141282 534314000 /nfs/dbraw/zinc/31/40/00/534314000.db2.gz KVCDCUASUSJRMX-INMHGKMJSA-N 1 3 322.497 2.175 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCCC2)C1)N(C)C ZINC001378874262 1152474985 /nfs/dbraw/zinc/47/49/85/1152474985.db2.gz UJJLAOKWEZNRBV-ULQDDVLXSA-N 1 3 309.498 2.391 20 0 DEADHO CCC[N@@H+]1CCCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000156410978 519851088 /nfs/dbraw/zinc/85/10/88/519851088.db2.gz YTPZESXTSHTKPR-UHFFFAOYSA-N 1 3 303.450 2.306 20 0 DEADHO CCC[N@H+]1CCCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000156410978 519851089 /nfs/dbraw/zinc/85/10/89/519851089.db2.gz YTPZESXTSHTKPR-UHFFFAOYSA-N 1 3 303.450 2.306 20 0 DEADHO CCN1CCC(NC(=O)NCCC[NH2+]C2CCCCC2)CC1 ZINC000339440682 521574460 /nfs/dbraw/zinc/57/44/60/521574460.db2.gz MLNTUBQYIIWMLG-UHFFFAOYSA-N 1 3 310.486 2.082 20 0 DEADHO CCN1CCC(NC(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000339524900 521575265 /nfs/dbraw/zinc/57/52/65/521575265.db2.gz XJLSJUYCKZJAHT-UHFFFAOYSA-N 1 3 318.465 2.032 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H](OC)C2CC2)CC1 ZINC000339527291 521700136 /nfs/dbraw/zinc/70/01/36/521700136.db2.gz QYPNOIRVUMKKJL-IBGZPJMESA-N 1 3 317.477 2.343 20 0 DEADHO CN(C)CCOc1ccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000338158211 521799184 /nfs/dbraw/zinc/79/91/84/521799184.db2.gz YQWFOTFYNFFCLD-ROUUACIJSA-N 1 3 317.477 2.343 20 0 DEADHO CN(C)CCOc1ccc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000338158211 521799189 /nfs/dbraw/zinc/79/91/89/521799189.db2.gz YQWFOTFYNFFCLD-ROUUACIJSA-N 1 3 317.477 2.343 20 0 DEADHO C[N@H+](CCCN1CCCC1)CCc1ccc2c(c1)OCCO2 ZINC000337221902 522749673 /nfs/dbraw/zinc/74/96/73/522749673.db2.gz FHOJCOHXQADGNP-UHFFFAOYSA-N 1 3 304.434 2.418 20 0 DEADHO C[N@@H+](CCCN1CCCC1)CCc1ccc2c(c1)OCCO2 ZINC000337221902 522749679 /nfs/dbraw/zinc/74/96/79/522749679.db2.gz FHOJCOHXQADGNP-UHFFFAOYSA-N 1 3 304.434 2.418 20 0 DEADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@@H]([NH3+])C(C)C)c1 ZINC000418400877 534705950 /nfs/dbraw/zinc/70/59/50/534705950.db2.gz HOIIMKQGQHWDLU-QGZVFWFLSA-N 1 3 320.481 2.052 20 0 DEADHO C[C@H]1CCCN(CCNC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000337369885 524090354 /nfs/dbraw/zinc/09/03/54/524090354.db2.gz OQHVMEQUOQZVQQ-INIZCTEOSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)NC/C=C\Cl ZINC001425596129 1174391423 /nfs/dbraw/zinc/39/14/23/1174391423.db2.gz NUGCQKUTMVTHOV-BMWLXYDHSA-N 1 3 313.873 2.051 20 0 DEADHO CC(C)(C)[C@@H](C[NH3+])NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000423963377 526617348 /nfs/dbraw/zinc/61/73/48/526617348.db2.gz WAANZDHRSCWAMN-QGZVFWFLSA-N 1 3 317.477 2.388 20 0 DEADHO COCCCN(C)CC[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000340248842 536510477 /nfs/dbraw/zinc/51/04/77/536510477.db2.gz XORDBFZJCWJTLU-MOPGFXCFSA-N 1 3 319.493 2.380 20 0 DEADHO NCc1cc(NC(=O)CC2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC000365123293 527250524 /nfs/dbraw/zinc/25/05/24/527250524.db2.gz USOFNAHNBVZYHP-UHFFFAOYSA-N 1 3 315.339 2.492 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)NC2CCC([NH3+])CC2)CC1 ZINC000418390374 527663172 /nfs/dbraw/zinc/66/31/72/527663172.db2.gz SUCUCPRRZGXMFF-UHFFFAOYSA-N 1 3 310.486 2.020 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000448213235 527985548 /nfs/dbraw/zinc/98/55/48/527985548.db2.gz OABXQOFYJHEXTN-BRWVUGGUSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000448213235 527985555 /nfs/dbraw/zinc/98/55/55/527985555.db2.gz OABXQOFYJHEXTN-BRWVUGGUSA-N 1 3 324.513 2.136 20 0 DEADHO CCC[C@H](C)C(=O)NCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423124367 528016217 /nfs/dbraw/zinc/01/62/17/528016217.db2.gz GIUVAJLTFIIVCR-MWDXBVQZSA-N 1 3 309.498 2.439 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000417322417 528143493 /nfs/dbraw/zinc/14/34/93/528143493.db2.gz VTYSPBJFRRQKLQ-WMLDXEAASA-N 1 3 320.481 2.449 20 0 DEADHO CCN(CCNC(=O)N(CCC[NH3+])CC1CCCC1)C1CC1 ZINC000417431123 528485687 /nfs/dbraw/zinc/48/56/87/528485687.db2.gz QUNCQVZXFVNPSJ-UHFFFAOYSA-N 1 3 310.486 2.021 20 0 DEADHO CCOCCOCc1cccc(CN[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000422862124 528811777 /nfs/dbraw/zinc/81/17/77/528811777.db2.gz NLAVUSVINJQNAB-ROUUACIJSA-N 1 3 306.450 2.457 20 0 DEADHO CCC(CC)[C@H](C[NH2+][C@@H](C)[C@@H]1CCCCN1)N1CCOCC1 ZINC000422817796 528856155 /nfs/dbraw/zinc/85/61/55/528856155.db2.gz INYKXZSWNCIOCR-SZMVWBNQSA-N 1 3 311.514 2.244 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NCCN2CCCC(C)(C)C2)CC1 ZINC000444619425 528986385 /nfs/dbraw/zinc/98/63/85/528986385.db2.gz XSCTYEFBWWBMOT-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000429180921 529066497 /nfs/dbraw/zinc/06/64/97/529066497.db2.gz JRHBARQRSIAYTF-DOTOQJQBSA-N 1 3 321.440 2.137 20 0 DEADHO CC(C)[C@H](C[N@@H+]1CC[C@H](N2CCNCC2)C1)c1ccccc1 ZINC000348972469 534992326 /nfs/dbraw/zinc/99/23/26/534992326.db2.gz DPXJCPVLZLCVHQ-OALUTQOASA-N 1 3 301.478 2.406 20 0 DEADHO CC(C)[C@H](C[N@H+]1CC[C@H](N2CCNCC2)C1)c1ccccc1 ZINC000348972469 534992333 /nfs/dbraw/zinc/99/23/33/534992333.db2.gz DPXJCPVLZLCVHQ-OALUTQOASA-N 1 3 301.478 2.406 20 0 DEADHO CCCN1CCC[C@H]1CNC(=O)N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000358287347 535264792 /nfs/dbraw/zinc/26/47/92/535264792.db2.gz CAINTMHUMKYTPU-SJORKVTESA-N 1 3 324.513 2.234 20 0 DEADHO CCCN1CCC[C@H]1CNC(=O)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000358287347 535264795 /nfs/dbraw/zinc/26/47/95/535264795.db2.gz CAINTMHUMKYTPU-SJORKVTESA-N 1 3 324.513 2.234 20 0 DEADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@@H](C)NC1CC1 ZINC000449335464 535527970 /nfs/dbraw/zinc/52/79/70/535527970.db2.gz IMBWGQCPYVJVHM-MRXNPFEDSA-N 1 3 317.477 2.498 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000262117086 535976285 /nfs/dbraw/zinc/97/62/85/535976285.db2.gz WAAYLMOCRMMLRK-SFHVURJKSA-N 1 3 315.417 2.305 20 0 DEADHO CN(C)Cc1cnc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)s1 ZINC000349148188 536054782 /nfs/dbraw/zinc/05/47/82/536054782.db2.gz JFYDCFYCVDUKFW-OAHLLOKOSA-N 1 3 322.522 2.368 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C[C@H](N)c3ccccc3)CC[C@@H]21 ZINC000262316026 536377365 /nfs/dbraw/zinc/37/73/65/536377365.db2.gz QIGNTBNEINKPSB-IKGGRYGDSA-N 1 3 301.434 2.019 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C[C@H](N)c3ccccc3)CC[C@@H]21 ZINC000262316026 536377366 /nfs/dbraw/zinc/37/73/66/536377366.db2.gz QIGNTBNEINKPSB-IKGGRYGDSA-N 1 3 301.434 2.019 20 0 DEADHO COc1cc(C)ccc1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000449188305 536651313 /nfs/dbraw/zinc/65/13/13/536651313.db2.gz KJCZPJHUGJNICY-UHFFFAOYSA-N 1 3 306.450 2.329 20 0 DEADHO COC1(C[NH2+]Cc2ccnc(OCCN(C)C)c2)CCCC1 ZINC000359685067 536681394 /nfs/dbraw/zinc/68/13/94/536681394.db2.gz LENMVVJSKFXARU-UHFFFAOYSA-N 1 3 307.438 2.071 20 0 DEADHO COc1ccc2cc(CN(C)CCN3CC[NH2+]CC3)ccc2c1 ZINC000261629504 537033247 /nfs/dbraw/zinc/03/32/47/537033247.db2.gz BVVFQPMHUTYHEE-UHFFFAOYSA-N 1 3 313.445 2.185 20 0 DEADHO CCc1cccc(C[NH2+]C[C@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001379516652 1152635902 /nfs/dbraw/zinc/63/59/02/1152635902.db2.gz NNOUDAFSTSLXSF-HNNXBMFYSA-N 1 3 317.477 2.328 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001379808197 1152699003 /nfs/dbraw/zinc/69/90/03/1152699003.db2.gz QETDILYDPHYNQP-IAGOWNOFSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001380479419 1152819456 /nfs/dbraw/zinc/81/94/56/1152819456.db2.gz YGBYAOQUDOZPPO-AEFFLSMTSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001380479419 1152819458 /nfs/dbraw/zinc/81/94/58/1152819458.db2.gz YGBYAOQUDOZPPO-AEFFLSMTSA-N 1 3 311.514 2.447 20 0 DEADHO C[C@@H](F)CC[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC001369436578 1148986207 /nfs/dbraw/zinc/98/62/07/1148986207.db2.gz LTKBQWXWKSESSX-HIFRSBDPSA-N 1 3 313.461 2.045 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000892733668 625506645 /nfs/dbraw/zinc/50/66/45/625506645.db2.gz RYWNPKXVVOCTTD-INIZCTEOSA-N 1 3 312.502 2.234 20 0 DEADHO CC1(C)C[C@H]([NH3+])C[C@@H](N[C@H]2CCCN(C(=O)N3CCCC3)C2)C1 ZINC000925669345 625585313 /nfs/dbraw/zinc/58/53/13/625585313.db2.gz ATFOGYRIBGKRTA-OWCLPIDISA-N 1 3 322.497 2.162 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCC2)C1 ZINC000969650166 622863276 /nfs/dbraw/zinc/86/32/76/622863276.db2.gz QLSNWOXEMDZQJA-YOEHRIQHSA-N 1 3 307.482 2.096 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCC2CC2)C1 ZINC000969794037 622923789 /nfs/dbraw/zinc/92/37/89/622923789.db2.gz ULQSITKTSNNAKX-WMLDXEAASA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CCc2cccs2)C1 ZINC001020587580 622925847 /nfs/dbraw/zinc/92/58/47/622925847.db2.gz MAWKAJAWFNJLKT-KKUMJFAQSA-N 1 3 321.490 2.012 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001020587912 622926587 /nfs/dbraw/zinc/92/65/87/622926587.db2.gz ZZXAVSPFOJRESB-XIRDDKMYSA-N 1 3 319.493 2.288 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC001020588951 622926886 /nfs/dbraw/zinc/92/68/86/622926886.db2.gz RPPJAAIWJJPKCN-KBAYOESNSA-N 1 3 315.461 2.074 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCc2ccc(C)cc2)C1)N(C)C ZINC000969991641 623042516 /nfs/dbraw/zinc/04/25/16/623042516.db2.gz MVHAUDCWELHHPV-MSOLQXFVSA-N 1 3 317.477 2.068 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC2)C1 ZINC001020675758 623060427 /nfs/dbraw/zinc/06/04/27/623060427.db2.gz DVAIPZSSSMJYEO-BRWVUGGUSA-N 1 3 307.482 2.286 20 0 DEADHO CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001024156101 625641477 /nfs/dbraw/zinc/64/14/77/625641477.db2.gz IDDNZGRTCVRUPH-WMLDXEAASA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001024156398 625640976 /nfs/dbraw/zinc/64/09/76/625640976.db2.gz MTKKUWMYAWQBRB-FUHWJXTLSA-N 1 3 321.509 2.489 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001026732286 625693760 /nfs/dbraw/zinc/69/37/60/625693760.db2.gz BLYJPGNDPPVGJH-DLBZAZTESA-N 1 3 307.482 2.099 20 0 DEADHO Cc1cccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC000971199811 624068160 /nfs/dbraw/zinc/06/81/60/624068160.db2.gz ADCLJUIHXJZXBL-ZWKOTPCHSA-N 1 3 315.461 2.122 20 0 DEADHO Cc1cccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC000971199811 624068162 /nfs/dbraw/zinc/06/81/62/624068162.db2.gz ADCLJUIHXJZXBL-ZWKOTPCHSA-N 1 3 315.461 2.122 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001026733209 625701571 /nfs/dbraw/zinc/70/15/71/625701571.db2.gz JIMQVEDPLWIGAM-FUHWJXTLSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)NCCC(C)(C)[NH3+])N(C)C)cc1 ZINC000891446386 624187171 /nfs/dbraw/zinc/18/71/71/624187171.db2.gz MRUFAIAWIRMZKE-OAHLLOKOSA-N 1 3 306.454 2.024 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1 ZINC001022070284 624191074 /nfs/dbraw/zinc/19/10/74/624191074.db2.gz USOSMCTVXXFABQ-BBWFWOEESA-N 1 3 307.482 2.286 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC2CCCC2)C1)C1CC1 ZINC000971677414 624500613 /nfs/dbraw/zinc/50/06/13/624500613.db2.gz KGSOYHQGNIRDGJ-DLBZAZTESA-N 1 3 307.482 2.050 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC2CCCC2)C1)C1CC1 ZINC000971677414 624500616 /nfs/dbraw/zinc/50/06/16/624500616.db2.gz KGSOYHQGNIRDGJ-DLBZAZTESA-N 1 3 307.482 2.050 20 0 DEADHO CC1CC(C[N@H+](C)[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000971688261 624505269 /nfs/dbraw/zinc/50/52/69/624505269.db2.gz VIESPAGWAWXJDG-DQPZFDDXSA-N 1 3 307.482 2.050 20 0 DEADHO CC1CC(C[N@@H+](C)[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000971688261 624505270 /nfs/dbraw/zinc/50/52/70/624505270.db2.gz VIESPAGWAWXJDG-DQPZFDDXSA-N 1 3 307.482 2.050 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC2CC(C)(C)C2)C1)C1CC1 ZINC000971686605 624506072 /nfs/dbraw/zinc/50/60/72/624506072.db2.gz UHCPOSLHJBHAAX-IAGOWNOFSA-N 1 3 321.509 2.296 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C1)C1CC1 ZINC000971686605 624506077 /nfs/dbraw/zinc/50/60/77/624506077.db2.gz UHCPOSLHJBHAAX-IAGOWNOFSA-N 1 3 321.509 2.296 20 0 DEADHO CCc1nc(CN2CCN(CC3CC[NH+](C)CC3)CC2)cs1 ZINC000891805406 624609855 /nfs/dbraw/zinc/60/98/55/624609855.db2.gz JJBHLDZLUYWUCF-UHFFFAOYSA-N 1 3 322.522 2.165 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC001022716158 624869463 /nfs/dbraw/zinc/86/94/63/624869463.db2.gz RPPJAAIWJJPKCN-NXHRZFHOSA-N 1 3 315.461 2.074 20 0 DEADHO CNC(=O)[C@H](CCSC)N[C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926430717 625056781 /nfs/dbraw/zinc/05/67/81/625056781.db2.gz CENRLTHJFFVUMX-CJNGLKHVSA-N 1 3 323.506 2.267 20 0 DEADHO C[C@H]1CN(CCCC[NH2+]Cc2cn(C)nc2C2CC2)C[C@H](C)O1 ZINC000893037528 625070528 /nfs/dbraw/zinc/07/05/28/625070528.db2.gz IEMOCRAHUVWGGG-GJZGRUSLSA-N 1 3 320.481 2.277 20 0 DEADHO CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001025085567 625200763 /nfs/dbraw/zinc/20/07/63/625200763.db2.gz SILBTAPXXNRZLX-RHSMWYFYSA-N 1 3 313.461 2.190 20 0 DEADHO COc1ccccc1N1CCC(N[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925535434 625239111 /nfs/dbraw/zinc/23/91/11/625239111.db2.gz WPUDHJAQKZISJE-GDBMZVCRSA-N 1 3 303.450 2.394 20 0 DEADHO CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001023402315 625253856 /nfs/dbraw/zinc/25/38/56/625253856.db2.gz KBKWKBOFYAFNHB-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO CCCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001023402315 625253859 /nfs/dbraw/zinc/25/38/59/625253859.db2.gz KBKWKBOFYAFNHB-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001023402318 625254075 /nfs/dbraw/zinc/25/40/75/625254075.db2.gz KBKWKBOFYAFNHB-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO CCCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001023402318 625254078 /nfs/dbraw/zinc/25/40/78/625254078.db2.gz KBKWKBOFYAFNHB-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO N[C@@H](CC1CC1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309923672 625257012 /nfs/dbraw/zinc/25/70/12/625257012.db2.gz WSXPEEQLEXPDBE-MSOLQXFVSA-N 1 3 315.461 2.142 20 0 DEADHO N[C@@H](CC1CC1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309923672 625257017 /nfs/dbraw/zinc/25/70/17/625257017.db2.gz WSXPEEQLEXPDBE-MSOLQXFVSA-N 1 3 315.461 2.142 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2CC2)C1 ZINC001027694194 634448762 /nfs/dbraw/zinc/44/87/62/634448762.db2.gz TZMMSXYYGKXZTN-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CC2)C1 ZINC001027694194 634448763 /nfs/dbraw/zinc/44/87/63/634448763.db2.gz TZMMSXYYGKXZTN-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC(C)C)C1 ZINC001027695245 634450452 /nfs/dbraw/zinc/45/04/52/634450452.db2.gz PFXZDSXSOJMFOM-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC(C)C)C1 ZINC001027695245 634450455 /nfs/dbraw/zinc/45/04/55/634450455.db2.gz PFXZDSXSOJMFOM-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)c(C)c1 ZINC001019774724 625832012 /nfs/dbraw/zinc/83/20/12/625832012.db2.gz FTOYLTYPCDYMEH-SFHVURJKSA-N 1 3 315.461 2.090 20 0 DEADHO Cc1ccc(C)c(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001019774890 625832237 /nfs/dbraw/zinc/83/22/37/625832237.db2.gz MMJUCGIMHONARD-SFHVURJKSA-N 1 3 315.461 2.090 20 0 DEADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]CC2=CCCCC2)C1 ZINC000999468753 634602170 /nfs/dbraw/zinc/60/21/70/634602170.db2.gz INWZPZWOMNASCB-UHFFFAOYSA-N 1 3 302.422 2.032 20 0 DEADHO CC1CCN(CC(=O)N(C)C2CC([NH2+]CC3CCC3)C2)CC1 ZINC000999602723 634641853 /nfs/dbraw/zinc/64/18/53/634641853.db2.gz VOOHPLMQQLZTML-UHFFFAOYSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CC2CCCC2)C1)N(C)C ZINC001000113852 634750476 /nfs/dbraw/zinc/75/04/76/634750476.db2.gz TWWCWWIHNSYYPC-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CN(CC(=O)N1C[C@@H]([NH2+]CCC2CC2)C(C)(C)C1)C1CCC1 ZINC000995916474 633143603 /nfs/dbraw/zinc/14/36/03/633143603.db2.gz ISCHVRNWJGDAOM-MRXNPFEDSA-N 1 3 307.482 2.097 20 0 DEADHO CC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1(C)C ZINC000996300021 633232275 /nfs/dbraw/zinc/23/22/75/633232275.db2.gz IHXYMMDHPMNHQM-DYVFJYSZSA-N 1 3 313.461 2.045 20 0 DEADHO CCCC[N@@H+]1C[C@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC000974774959 633299524 /nfs/dbraw/zinc/29/95/24/633299524.db2.gz NOMUMYKYARBOOS-HNNXBMFYSA-N 1 3 307.482 2.242 20 0 DEADHO CCCC[N@H+]1C[C@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC000974774959 633299528 /nfs/dbraw/zinc/29/95/28/633299528.db2.gz NOMUMYKYARBOOS-HNNXBMFYSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974861571 633337174 /nfs/dbraw/zinc/33/71/74/633337174.db2.gz HOQLXWFSGKWWQR-SJORKVTESA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)C[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974861571 633337177 /nfs/dbraw/zinc/33/71/77/633337177.db2.gz HOQLXWFSGKWWQR-SJORKVTESA-N 1 3 321.509 2.343 20 0 DEADHO CCCC[N@@H+]1C[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974862900 633337755 /nfs/dbraw/zinc/33/77/55/633337755.db2.gz MQWFBSAGXDRIKF-IRXDYDNUSA-N 1 3 321.509 2.488 20 0 DEADHO CCCC[N@H+]1C[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974862900 633337760 /nfs/dbraw/zinc/33/77/60/633337760.db2.gz MQWFBSAGXDRIKF-IRXDYDNUSA-N 1 3 321.509 2.488 20 0 DEADHO CC[NH2+][C@H]1CN(C(=O)c2ccccc2CN(C)C)CC1(C)C ZINC000996669480 633343865 /nfs/dbraw/zinc/34/38/65/633343865.db2.gz GDXFLNAVPCQLES-INIZCTEOSA-N 1 3 303.450 2.208 20 0 DEADHO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001027090744 633431040 /nfs/dbraw/zinc/43/10/40/633431040.db2.gz VGFCEUCLPMWTBI-HUUCEWRRSA-N 1 3 312.417 2.152 20 0 DEADHO CC1CC(C[NH2+]C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC000997000257 633557996 /nfs/dbraw/zinc/55/79/96/633557996.db2.gz OQIFUBATSQMPJS-HWOWSKLDSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNCc2c3c(nn2C)CCOC3)C1 ZINC000921535978 633626960 /nfs/dbraw/zinc/62/69/60/633626960.db2.gz MQHFZQYYBNTLLH-OAHLLOKOSA-N 1 3 320.481 2.095 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNCc2c3c(nn2C)CCOC3)C1 ZINC000921535978 633626963 /nfs/dbraw/zinc/62/69/63/633626963.db2.gz MQHFZQYYBNTLLH-OAHLLOKOSA-N 1 3 320.481 2.095 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC2CC2)CC1 ZINC000997587320 633886415 /nfs/dbraw/zinc/88/64/15/633886415.db2.gz OGJWDMLTQJYENU-YJBOKZPZSA-N 1 3 321.509 2.486 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([N@H+](C)CC2CCC2)C1 ZINC001027576237 634182714 /nfs/dbraw/zinc/18/27/14/634182714.db2.gz MSOANHSQGDODCH-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC2)C1 ZINC001027576237 634182720 /nfs/dbraw/zinc/18/27/20/634182720.db2.gz MSOANHSQGDODCH-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO O=C(CN1CCCC1)N1CCC(C[NH2+]CC2CCCC2)CC1 ZINC000998268760 634194761 /nfs/dbraw/zinc/19/47/61/634194761.db2.gz IYJOCNSUNFQJIW-UHFFFAOYSA-N 1 3 307.482 2.101 20 0 DEADHO O=C(CN1CCCC1)N1CCC(C[NH2+]Cc2ccccc2)CC1 ZINC000998269341 634196114 /nfs/dbraw/zinc/19/61/14/634196114.db2.gz MRKFDDLDTYNALD-UHFFFAOYSA-N 1 3 315.461 2.111 20 0 DEADHO C[N@H+](CC1CCCCC1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980404549 634988769 /nfs/dbraw/zinc/98/87/69/634988769.db2.gz BRRHJYHRIMNALD-KRWDZBQOSA-N 1 3 307.482 2.195 20 0 DEADHO C[N@@H+](CC1CCCCC1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980404549 634988771 /nfs/dbraw/zinc/98/87/71/634988771.db2.gz BRRHJYHRIMNALD-KRWDZBQOSA-N 1 3 307.482 2.195 20 0 DEADHO Cc1cccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC000980405904 634989282 /nfs/dbraw/zinc/98/92/82/634989282.db2.gz MLEDZVHEFAVUGO-SFHVURJKSA-N 1 3 315.461 2.124 20 0 DEADHO Cc1cccc(C[N@H+](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC000980405904 634989290 /nfs/dbraw/zinc/98/92/90/634989290.db2.gz MLEDZVHEFAVUGO-SFHVURJKSA-N 1 3 315.461 2.124 20 0 DEADHO C[C@H]1C[C@@H](C[NH2+]CC2=CCCCC2)CN1C(=O)Cc1c[nH]cn1 ZINC000980709509 635109254 /nfs/dbraw/zinc/10/92/54/635109254.db2.gz YCVIAAQTVOMVEE-HOCLYGCPSA-N 1 3 316.449 2.279 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001000311411 635141801 /nfs/dbraw/zinc/14/18/01/635141801.db2.gz IAOFUOMUWGVCDD-INIZCTEOSA-N 1 3 312.417 2.041 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1CCCF ZINC001027986442 635165412 /nfs/dbraw/zinc/16/54/12/635165412.db2.gz XCGTWBLDMXMFCY-HOTGVXAUSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1CCCF ZINC001027986442 635165414 /nfs/dbraw/zinc/16/54/14/635165414.db2.gz XCGTWBLDMXMFCY-HOTGVXAUSA-N 1 3 313.461 2.047 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCC2CC2)C1 ZINC001001010405 635378415 /nfs/dbraw/zinc/37/84/15/635378415.db2.gz TYIMNFCFUXDRPZ-IRXDYDNUSA-N 1 3 307.482 2.242 20 0 DEADHO CCC[NH2+][C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001000989686 635383148 /nfs/dbraw/zinc/38/31/48/635383148.db2.gz YQHSWIFPCCKZLR-QGZVFWFLSA-N 1 3 303.450 2.352 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[N@H+](CC2CC(C)C2)CC1)N(C)C ZINC000981390326 635461760 /nfs/dbraw/zinc/46/17/60/635461760.db2.gz DARIAPVUDHCZOU-JCYILVPMSA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[N@@H+](CC2CC(C)C2)CC1)N(C)C ZINC000981390326 635461762 /nfs/dbraw/zinc/46/17/62/635461762.db2.gz DARIAPVUDHCZOU-JCYILVPMSA-N 1 3 309.498 2.153 20 0 DEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCCN2CCSC[C@@H]12 ZINC000925824541 635704077 /nfs/dbraw/zinc/70/40/77/635704077.db2.gz AEDOEXHIZZNCDB-QZWWFDLISA-N 1 3 311.539 2.467 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC1CC[NH+](CC2CCC2)CC1 ZINC001002790997 635798727 /nfs/dbraw/zinc/79/87/27/635798727.db2.gz DBFACXFMEQNPPX-KRWDZBQOSA-N 1 3 307.482 2.240 20 0 DEADHO CCC[N@@H+]1CCCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000982009250 635808227 /nfs/dbraw/zinc/80/82/27/635808227.db2.gz KVUSPBANWYCSIM-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO CCC[N@H+]1CCCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000982009250 635808230 /nfs/dbraw/zinc/80/82/30/635808230.db2.gz KVUSPBANWYCSIM-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO [NH3+][C@@H](CC1CC1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000318923099 635828741 /nfs/dbraw/zinc/82/87/41/635828741.db2.gz SYQCUAVILYZOSM-IRXDYDNUSA-N 1 3 301.434 2.067 20 0 DEADHO N[C@@H](CC1CC1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000318923099 635828745 /nfs/dbraw/zinc/82/87/45/635828745.db2.gz SYQCUAVILYZOSM-IRXDYDNUSA-N 1 3 301.434 2.067 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC1CC[NH+](C[C@@H](C)CC)CC1 ZINC001002955304 635859951 /nfs/dbraw/zinc/85/99/51/635859951.db2.gz KFMPNMIABZRPAB-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]1CCCN1CC(=O)NC1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001003629357 636007839 /nfs/dbraw/zinc/00/78/39/636007839.db2.gz ZXKGTRHHNLFOPJ-HNNXBMFYSA-N 1 3 321.509 2.488 20 0 DEADHO COc1ccc2nccc(N3C[C@@H](C)[N@@H+](CCO)[C@@H](C)C3)c2c1 ZINC000894080247 636108429 /nfs/dbraw/zinc/10/84/29/636108429.db2.gz JQFSKUCGIGRDHV-OKILXGFUSA-N 1 3 315.417 2.135 20 0 DEADHO COc1ccc2nccc(N3C[C@@H](C)[N@H+](CCO)[C@@H](C)C3)c2c1 ZINC000894080247 636108430 /nfs/dbraw/zinc/10/84/30/636108430.db2.gz JQFSKUCGIGRDHV-OKILXGFUSA-N 1 3 315.417 2.135 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000894105254 636145987 /nfs/dbraw/zinc/14/59/87/636145987.db2.gz NPINUBANQNLAQZ-CVEARBPZSA-N 1 3 322.497 2.010 20 0 DEADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(C)s3)C2)[C@H]1C(C)C ZINC000922394448 636155765 /nfs/dbraw/zinc/15/57/65/636155765.db2.gz WIHXZFVAFUXEOJ-VQHPVUNQSA-N 1 3 323.506 2.411 20 0 DEADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(C)s3)C2)[C@H]1C(C)C ZINC000922394448 636155768 /nfs/dbraw/zinc/15/57/68/636155768.db2.gz WIHXZFVAFUXEOJ-VQHPVUNQSA-N 1 3 323.506 2.411 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(Cc3ccsc3)C2)CC[N@@H+]1C ZINC001028548509 636331565 /nfs/dbraw/zinc/33/15/65/636331565.db2.gz BMSGQVMSFGBNEC-IIAWOOMASA-N 1 3 321.490 2.026 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(Cc3ccsc3)C2)CC[N@H+]1C ZINC001028548509 636331570 /nfs/dbraw/zinc/33/15/70/636331570.db2.gz BMSGQVMSFGBNEC-IIAWOOMASA-N 1 3 321.490 2.026 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001028579896 636373140 /nfs/dbraw/zinc/37/31/40/636373140.db2.gz KXBJPIMDDMGRFO-SJORKVTESA-N 1 3 307.482 2.099 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001028579896 636373146 /nfs/dbraw/zinc/37/31/46/636373146.db2.gz KXBJPIMDDMGRFO-SJORKVTESA-N 1 3 307.482 2.099 20 0 DEADHO CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982832475 636495578 /nfs/dbraw/zinc/49/55/78/636495578.db2.gz ZXSBEIDQNNOXQN-LVYXFOGZSA-N 1 3 307.482 2.050 20 0 DEADHO CC[N@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982832475 636495580 /nfs/dbraw/zinc/49/55/80/636495580.db2.gz ZXSBEIDQNNOXQN-LVYXFOGZSA-N 1 3 307.482 2.050 20 0 DEADHO O=C(CN1CCCC1)N1CCC([C@H]2CCC[N@@H+]2CC2CC2)CC1 ZINC001004617185 636503863 /nfs/dbraw/zinc/50/38/63/636503863.db2.gz PLXHTZBNTPOENU-GOSISDBHSA-N 1 3 319.493 2.195 20 0 DEADHO O=C(CN1CCCC1)N1CCC([C@H]2CCC[N@H+]2CC2CC2)CC1 ZINC001004617185 636503865 /nfs/dbraw/zinc/50/38/65/636503865.db2.gz PLXHTZBNTPOENU-GOSISDBHSA-N 1 3 319.493 2.195 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(Cl)cc1F ZINC000186863348 636576000 /nfs/dbraw/zinc/57/60/00/636576000.db2.gz SWXMGEJJERSFRN-CYBMUJFWSA-N 1 3 312.820 2.368 20 0 DEADHO CCN1CC[C@@H](NC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000922908495 636849507 /nfs/dbraw/zinc/84/95/07/636849507.db2.gz NOEWIAZJXMLCQB-UPTPFMHGSA-N 1 3 322.497 2.177 20 0 DEADHO CC(C)[C@@](C)(C[NH3+])NC[C@H](O)COc1ccc(Cl)cc1 ZINC000923295972 637098222 /nfs/dbraw/zinc/09/82/22/637098222.db2.gz LTIHLGNYUPWXBP-DZGCQCFKSA-N 1 3 300.830 2.043 20 0 DEADHO NC1(C[NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)CCC1 ZINC000923331144 637114379 /nfs/dbraw/zinc/11/43/79/637114379.db2.gz KUBGLPYWFQRKEP-GFCCVEGCSA-N 1 3 302.340 2.080 20 0 DEADHO [NH3+]C[C@]12CCC[C@H]1CN(C[C@@H](O)COc1ccc(Cl)cc1)C2 ZINC000923386297 637154822 /nfs/dbraw/zinc/15/48/22/637154822.db2.gz JELGIOWGSCTEOA-LXZKKBNFSA-N 1 3 324.852 2.141 20 0 DEADHO CC[C@@H]1c2ccsc2CCN1C(=O)CN1CC[C@@H](CC[NH3+])C1 ZINC000923486787 637200216 /nfs/dbraw/zinc/20/02/16/637200216.db2.gz JSOSPIGVDOENCE-UKRRQHHQSA-N 1 3 321.490 2.255 20 0 DEADHO C[C@H](C(=O)Nc1cccc2ncccc21)N1CC[C@@H](CC[NH3+])C1 ZINC000923482630 637204253 /nfs/dbraw/zinc/20/42/53/637204253.db2.gz GLTKJFCTOWYAHB-ZIAGYGMSSA-N 1 3 312.417 2.233 20 0 DEADHO CCC[C@@H](NC(=O)CN1CC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000923490822 637209992 /nfs/dbraw/zinc/20/99/92/637209992.db2.gz VWHMDDZHECRACT-DOTOQJQBSA-N 1 3 303.450 2.315 20 0 DEADHO C[C@@H]1CN(CC(=O)N2CCC[C@@H]3CCCC[C@H]32)CC[C@@H]1C[NH3+] ZINC000923500626 637217008 /nfs/dbraw/zinc/21/70/08/637217008.db2.gz QGNZOQQDNSGEPM-YYIAUSFCSA-N 1 3 307.482 2.084 20 0 DEADHO CCOc1ccc(NC(=O)[C@H](C)N2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923501527 637218313 /nfs/dbraw/zinc/21/83/13/637218313.db2.gz SSWURDUHXOOBLQ-SOUVJXGZSA-N 1 3 319.449 2.329 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CC2CC2)CC1 ZINC001029172918 637291739 /nfs/dbraw/zinc/29/17/39/637291739.db2.gz JUKFPMWYHJKUON-YJBOKZPZSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001029437043 638003438 /nfs/dbraw/zinc/00/34/38/638003438.db2.gz SGSDIFDAOJONOM-YESZJQIVSA-N 1 3 307.482 2.194 20 0 DEADHO CCCN1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001029437043 638003440 /nfs/dbraw/zinc/00/34/40/638003440.db2.gz SGSDIFDAOJONOM-YESZJQIVSA-N 1 3 307.482 2.194 20 0 DEADHO COc1cccc(CN2CCN(CC3CC[NH+](C)CC3)CC2)c1 ZINC000895787016 638196445 /nfs/dbraw/zinc/19/64/45/638196445.db2.gz CGWOLUIBSYJYIV-UHFFFAOYSA-N 1 3 317.477 2.155 20 0 DEADHO C[NH+]1CCC(CN[C@@H]2CCN(c3c(F)cccc3F)C2=O)CC1 ZINC000895976996 638288532 /nfs/dbraw/zinc/28/85/32/638288532.db2.gz XEZPRKWURCVTRH-OAHLLOKOSA-N 1 3 323.387 2.002 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccsc2)C1 ZINC000984805047 638694259 /nfs/dbraw/zinc/69/42/59/638694259.db2.gz RGFSOANCJPWGRU-FVQBIDKESA-N 1 3 321.490 2.217 20 0 DEADHO C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)N1CCCCCC1 ZINC001029502971 639001001 /nfs/dbraw/zinc/00/10/01/639001001.db2.gz FAAKIEKIQODGQD-NXHRZFHOSA-N 1 3 319.493 2.336 20 0 DEADHO C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)N1CCCCCC1 ZINC001029502971 639001002 /nfs/dbraw/zinc/00/10/02/639001002.db2.gz FAAKIEKIQODGQD-NXHRZFHOSA-N 1 3 319.493 2.336 20 0 DEADHO C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2CC1CC1)[NH+]1CCCCCC1 ZINC001029502971 639001003 /nfs/dbraw/zinc/00/10/03/639001003.db2.gz FAAKIEKIQODGQD-NXHRZFHOSA-N 1 3 319.493 2.336 20 0 DEADHO CN(C)[C@@H](CNC(=O)N(C)C1CCC([NH3+])CC1)c1ccccc1 ZINC000841618091 650524531 /nfs/dbraw/zinc/52/45/31/650524531.db2.gz AAGMHEGOJSFTKU-JCYILVPMSA-N 1 3 318.465 2.201 20 0 DEADHO C[C@H]1[C@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CN(C)C1CCC1 ZINC000986358027 639886181 /nfs/dbraw/zinc/88/61/81/639886181.db2.gz VWYBQWKQMACVLS-WMLDXEAASA-N 1 3 321.509 2.486 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC(C[N@H+](C)CC2CCC2)CC1)C1CC1 ZINC001029970406 639943749 /nfs/dbraw/zinc/94/37/49/639943749.db2.gz YQGMYFFUBAEUAQ-GOSISDBHSA-N 1 3 321.509 2.297 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC(C[N@@H+](C)CC2CCC2)CC1)C1CC1 ZINC001029970406 639943752 /nfs/dbraw/zinc/94/37/52/639943752.db2.gz YQGMYFFUBAEUAQ-GOSISDBHSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@@H]1[C@H]([NH2+]CCC2CCCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987059799 640072481 /nfs/dbraw/zinc/07/24/81/640072481.db2.gz SJGLUXMPFNNYMF-CZUORRHYSA-N 1 3 304.438 2.112 20 0 DEADHO C[C@@H]1[C@H]([NH2+]CCC2CC2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987255262 640144055 /nfs/dbraw/zinc/14/40/55/640144055.db2.gz NWJGCQRGYMFFLW-NVXWUHKLSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1[C@H]([NH2+]Cc2ccccc2F)CCN1C(=O)CN1CCCC1 ZINC000987520307 640211065 /nfs/dbraw/zinc/21/10/65/640211065.db2.gz QZXCWFOGYFSABQ-WMLDXEAASA-N 1 3 319.424 2.001 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc(Cl)n1 ZINC000841847103 650577632 /nfs/dbraw/zinc/57/76/32/650577632.db2.gz ZGYOPLQFBXVBLK-YUTCNCBUSA-N 1 3 324.856 2.162 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC2=CCCCC2)CN1C(=O)CN1CCCC1 ZINC000989800857 641230190 /nfs/dbraw/zinc/23/01/90/641230190.db2.gz WCVOXRLCMYNIEK-NVXWUHKLSA-N 1 3 305.466 2.162 20 0 DEADHO CC(C)[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000989825376 641248744 /nfs/dbraw/zinc/24/87/44/641248744.db2.gz FBQMJBIXSNTMCV-WMLDXEAASA-N 1 3 303.450 2.349 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]CCC2CCCC2)CC1 ZINC000990278296 641432139 /nfs/dbraw/zinc/43/21/39/641432139.db2.gz PLPJJPJRFYLYIM-KRWDZBQOSA-N 1 3 307.482 2.242 20 0 DEADHO CC[N@@H+]1CC[C@H](NC[C@H]2CCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000927000871 641572403 /nfs/dbraw/zinc/57/24/03/641572403.db2.gz GDAPUFNUHJDLCB-ZNMIVQPWSA-N 1 3 311.470 2.316 20 0 DEADHO CC[N@H+]1CC[C@H](NC[C@H]2CCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000927000871 641572404 /nfs/dbraw/zinc/57/24/04/641572404.db2.gz GDAPUFNUHJDLCB-ZNMIVQPWSA-N 1 3 311.470 2.316 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(CC3CN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000779478289 642504734 /nfs/dbraw/zinc/50/47/34/642504734.db2.gz OLODLHWHUWCKQP-CVEARBPZSA-N 1 3 323.481 2.269 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(CC3CN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000779478289 642504737 /nfs/dbraw/zinc/50/47/37/642504737.db2.gz OLODLHWHUWCKQP-CVEARBPZSA-N 1 3 323.481 2.269 20 0 DEADHO CN1CCC[C@@H]2C[N@H+](CC3CN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000779478289 642504741 /nfs/dbraw/zinc/50/47/41/642504741.db2.gz OLODLHWHUWCKQP-CVEARBPZSA-N 1 3 323.481 2.269 20 0 DEADHO CN1CCC[C@@H]2C[N@@H+](CC3CN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000779478289 642504742 /nfs/dbraw/zinc/50/47/42/642504742.db2.gz OLODLHWHUWCKQP-CVEARBPZSA-N 1 3 323.481 2.269 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)N(C)C ZINC000900960200 642532174 /nfs/dbraw/zinc/53/21/74/642532174.db2.gz QUONULMQIHEUQF-NXHRZFHOSA-N 1 3 317.477 2.353 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N(C)C ZINC000900960200 642532176 /nfs/dbraw/zinc/53/21/76/642532176.db2.gz QUONULMQIHEUQF-NXHRZFHOSA-N 1 3 317.477 2.353 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)N(C)C ZINC000900960198 642532489 /nfs/dbraw/zinc/53/24/89/642532489.db2.gz QUONULMQIHEUQF-JQHSSLGASA-N 1 3 317.477 2.353 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)N(C)C ZINC000900960198 642532492 /nfs/dbraw/zinc/53/24/92/642532492.db2.gz QUONULMQIHEUQF-JQHSSLGASA-N 1 3 317.477 2.353 20 0 DEADHO CC1(C)C[NH2+]CC[C@@H](N[C@H](CO)Cc2c[nH]c3ccccc23)C1 ZINC000902358768 643018734 /nfs/dbraw/zinc/01/87/34/643018734.db2.gz DBQYXTFUNYZUNS-CVEARBPZSA-N 1 3 315.461 2.439 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CNCC2(C)C)C1 ZINC000902451978 643046422 /nfs/dbraw/zinc/04/64/22/643046422.db2.gz ZMEHUZQOLSLUFL-AGIUHOORSA-N 1 3 318.408 2.331 20 0 DEADHO OC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)Cc1ccoc1 ZINC000903217091 643292748 /nfs/dbraw/zinc/29/27/48/643292748.db2.gz OSKXRGXPVWQUMX-DUZACMNTSA-N 1 3 304.434 2.178 20 0 DEADHO OC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)Cc1ccoc1 ZINC000903217091 643292751 /nfs/dbraw/zinc/29/27/51/643292751.db2.gz OSKXRGXPVWQUMX-DUZACMNTSA-N 1 3 304.434 2.178 20 0 DEADHO C[C@@H]1CN(CC(=O)Nc2ccc3c(c2)CCC3)C[C@H]1CC[NH3+] ZINC000903494557 643370679 /nfs/dbraw/zinc/37/06/79/643370679.db2.gz JRYHSYVBACJIDM-CZUORRHYSA-N 1 3 301.434 2.031 20 0 DEADHO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903495907 643371847 /nfs/dbraw/zinc/37/18/47/643371847.db2.gz BSLFGXKSHHUDPH-GRYCIOLGSA-N 1 3 311.376 2.209 20 0 DEADHO COCCN(Cc1ccccc1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718554 643437838 /nfs/dbraw/zinc/43/78/38/643437838.db2.gz OTVWYWZIEGQXRD-SFHVURJKSA-N 1 3 318.461 2.294 20 0 DEADHO c1cncc([C@@H]2CCCN2C[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903753509 643447591 /nfs/dbraw/zinc/44/75/91/643447591.db2.gz VKKPUZSDAXYZBN-SJORKVTESA-N 1 3 301.434 2.377 20 0 DEADHO C(CN1CCOC[C@@H]1C[C@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903827866 643473962 /nfs/dbraw/zinc/47/39/62/643473962.db2.gz YZUSNWHHPWUCKQ-OOHRUWKFSA-N 1 3 308.466 2.177 20 0 DEADHO Cc1c(C[C@H](C[NH3+])CN2Cc3ccccc3[C@H](C)C2)cnn1C ZINC000903937554 643515466 /nfs/dbraw/zinc/51/54/66/643515466.db2.gz NEIAFAQVCRIPNA-GDBMZVCRSA-N 1 3 312.461 2.465 20 0 DEADHO CC(C)(C)[C@@H]1CCCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903918081 643517521 /nfs/dbraw/zinc/51/75/21/643517521.db2.gz ROIXXBUZFSANEL-CABCVRRESA-N 1 3 305.470 2.461 20 0 DEADHO C[C@H](C[NH+]1CCNCCNCC1)c1ccc(C(F)(F)F)cc1 ZINC000904396419 643653185 /nfs/dbraw/zinc/65/31/85/643653185.db2.gz OHVTYMXQQYLHRA-CYBMUJFWSA-N 1 3 315.383 2.304 20 0 DEADHO Nc1ccc(CN2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)nn1 ZINC000904385583 643657331 /nfs/dbraw/zinc/65/73/31/643657331.db2.gz ZFWXDQHGTGIHRK-XJKSGUPXSA-N 1 3 303.454 2.178 20 0 DEADHO COc1ccc(CN2CC[C@@H](C[NH3+])[C@H](C)C2)c(OC)c1OC ZINC000904412255 643663088 /nfs/dbraw/zinc/66/30/88/643663088.db2.gz QYLSVJGYJCCHOX-OLZOCXBDSA-N 1 3 308.422 2.129 20 0 DEADHO C[C@H]1C[C@H](CN(C)CC(=O)NCCC2=CCCCC2)CC[NH2+]1 ZINC000904442752 643672972 /nfs/dbraw/zinc/67/29/72/643672972.db2.gz GUSYALWGEWKTAI-DOTOQJQBSA-N 1 3 307.482 2.313 20 0 DEADHO CCC[C@](C)([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000904468415 643676164 /nfs/dbraw/zinc/67/61/64/643676164.db2.gz CERWNXPTUBRNCY-APWZRJJASA-N 1 3 317.477 2.489 20 0 DEADHO CC(C)(C(=O)NCC1CC[NH+](C2CC2)CC1)N1CCCCC1 ZINC000907784185 644644388 /nfs/dbraw/zinc/64/43/88/644644388.db2.gz VRZNBDOLWNFJOF-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO [NH3+]CCCCCCN[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000843340843 650951938 /nfs/dbraw/zinc/95/19/38/650951938.db2.gz FYHSQUSDAAVAEZ-AWEZNQCLSA-N 1 3 314.426 2.153 20 0 DEADHO Cc1ccc(N2CCC[C@H](N3CCC(C[NH3+])CC3)C2=O)cc1 ZINC000843344967 650953273 /nfs/dbraw/zinc/95/32/73/650953273.db2.gz JFVRKBULNBSTOQ-KRWDZBQOSA-N 1 3 301.434 2.161 20 0 DEADHO Cc1ccc(N2CCC[C@@H](N3CCC(C[NH3+])CC3)C2=O)cc1 ZINC000843344968 650953450 /nfs/dbraw/zinc/95/34/50/650953450.db2.gz JFVRKBULNBSTOQ-QGZVFWFLSA-N 1 3 301.434 2.161 20 0 DEADHO [NH3+]CCOCCN(Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000843359598 650957248 /nfs/dbraw/zinc/95/72/48/650957248.db2.gz ZGAMZCMDHFAKGA-MRXNPFEDSA-N 1 3 320.458 2.259 20 0 DEADHO CN(C)C1(C(=O)NC2CCC3(CC2)CC[NH+](C)CC3)CCC1 ZINC000908494265 644876517 /nfs/dbraw/zinc/87/65/17/644876517.db2.gz DOIROEODAOOGLT-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN(C)CC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000799014876 645108828 /nfs/dbraw/zinc/10/88/28/645108828.db2.gz KNSQLHXZRLGKFS-LJQANCHMSA-N 1 3 317.477 2.357 20 0 DEADHO CCCN(C)CC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000799014876 645108830 /nfs/dbraw/zinc/10/88/30/645108830.db2.gz KNSQLHXZRLGKFS-LJQANCHMSA-N 1 3 317.477 2.357 20 0 DEADHO CCN1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC000910281515 645387059 /nfs/dbraw/zinc/38/70/59/645387059.db2.gz OIHMQCSCEHZRSB-NVXWUHKLSA-N 1 3 307.482 2.336 20 0 DEADHO CCN1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC000910281515 645387064 /nfs/dbraw/zinc/38/70/64/645387064.db2.gz OIHMQCSCEHZRSB-NVXWUHKLSA-N 1 3 307.482 2.336 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H]1CCCCN1C ZINC000911999007 645903964 /nfs/dbraw/zinc/90/39/64/645903964.db2.gz WKJKKZXPWOIJAT-SJORKVTESA-N 1 3 324.513 2.425 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H]1CCCCN1C ZINC000911999007 645903967 /nfs/dbraw/zinc/90/39/67/645903967.db2.gz WKJKKZXPWOIJAT-SJORKVTESA-N 1 3 324.513 2.425 20 0 DEADHO C[C@@H]([NH2+]C[C@H]1CCCN(Cc2ccccc2)C1)c1cnnn1C ZINC000924852496 646238755 /nfs/dbraw/zinc/23/87/55/646238755.db2.gz JZEFJANHDRJQPV-NVXWUHKLSA-N 1 3 313.449 2.378 20 0 DEADHO C[NH+](C)C1(C)CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000913390723 646335785 /nfs/dbraw/zinc/33/57/85/646335785.db2.gz XPVJFLDVBKKAJB-KRWDZBQOSA-N 1 3 313.461 2.142 20 0 DEADHO CCC(CC)C[NH2+][C@H]1C[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001388720361 1155073947 /nfs/dbraw/zinc/07/39/47/1155073947.db2.gz KLTROCWOUHETMX-WKILWMFISA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001015052814 646892630 /nfs/dbraw/zinc/89/26/30/646892630.db2.gz NYSJSBRHRKHANU-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001015052814 646892637 /nfs/dbraw/zinc/89/26/37/646892637.db2.gz NYSJSBRHRKHANU-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]21 ZINC000992725302 647196917 /nfs/dbraw/zinc/19/69/17/647196917.db2.gz ZRWQXBBOMHQUPV-ARFHVFGLSA-N 1 3 307.482 2.097 20 0 DEADHO COC(=O)N1CCC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000817902984 647377505 /nfs/dbraw/zinc/37/75/05/647377505.db2.gz CYFXBGNRUSYFKN-ZJIFWQFVSA-N 1 3 309.454 2.118 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@H](O)c1ccc2ccccc2c1 ZINC000817905450 647378674 /nfs/dbraw/zinc/37/86/74/647378674.db2.gz NJIBRNMYPSYGNR-ZQEOTTOMSA-N 1 3 314.429 2.215 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H](O)c1ccccc1Br ZINC000817937332 647387081 /nfs/dbraw/zinc/38/70/81/647387081.db2.gz YGIZRZLTOVQYGW-OUJBWJOFSA-N 1 3 301.228 2.198 20 0 DEADHO CC[C@H](N)C[NH2+][C@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000817980873 647400025 /nfs/dbraw/zinc/40/00/25/647400025.db2.gz YAPDGNMRKFWTCE-CJNGLKHVSA-N 1 3 302.422 2.328 20 0 DEADHO C[C@@H]1[C@H](NC(=O)C(C)(C)N2CCCC2)CCC[N@@H+]1CCCF ZINC000993683209 647724759 /nfs/dbraw/zinc/72/47/59/647724759.db2.gz LWPGSQUKXOXATJ-HUUCEWRRSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H]1[C@H](NC(=O)C(C)(C)N2CCCC2)CCC[N@H+]1CCCF ZINC000993683209 647724761 /nfs/dbraw/zinc/72/47/61/647724761.db2.gz LWPGSQUKXOXATJ-HUUCEWRRSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H](NCC1CCN(c2cc[nH+]cc2)CC1)c1cc(CO)on1 ZINC000820814491 647923558 /nfs/dbraw/zinc/92/35/58/647923558.db2.gz KCLNVAMHXZLLRQ-ZDUSSCGKSA-N 1 3 316.405 2.129 20 0 DEADHO C[C@@H](CNC(=O)N1CCN(C2CCCC2)CC1)[NH+]1CCCCC1 ZINC000918122392 648057868 /nfs/dbraw/zinc/05/78/68/648057868.db2.gz QKQSFXRNGAQKIF-INIZCTEOSA-N 1 3 322.497 2.131 20 0 DEADHO OC[C@H]1CCC[N@@H+]1CCCCNCc1ccnc(Cl)c1F ZINC000823871455 648494998 /nfs/dbraw/zinc/49/49/98/648494998.db2.gz HXGRJDSVEGCAEK-CYBMUJFWSA-N 1 3 315.820 2.201 20 0 DEADHO OC[C@H]1CCC[N@H+]1CCCCNCc1ccnc(Cl)c1F ZINC000823871455 648495001 /nfs/dbraw/zinc/49/50/01/648495001.db2.gz HXGRJDSVEGCAEK-CYBMUJFWSA-N 1 3 315.820 2.201 20 0 DEADHO CCc1ccc([C@H](CNC(=O)C[C@@H]([NH3+])C2CC2)N(C)C)cc1 ZINC000825776673 648810908 /nfs/dbraw/zinc/81/09/08/648810908.db2.gz SBRVLEQHJIXUAY-SJORKVTESA-N 1 3 303.450 2.095 20 0 DEADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C(C)(C)C1 ZINC000940738099 648935694 /nfs/dbraw/zinc/93/56/94/648935694.db2.gz WFYILZFLWROASK-CVEARBPZSA-N 1 3 309.498 2.486 20 0 DEADHO CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C(C)(C)C1 ZINC000940738099 648935696 /nfs/dbraw/zinc/93/56/96/648935696.db2.gz WFYILZFLWROASK-CVEARBPZSA-N 1 3 309.498 2.486 20 0 DEADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000940918420 648971269 /nfs/dbraw/zinc/97/12/69/648971269.db2.gz PKSYLICUNSRCLT-DLBZAZTESA-N 1 3 321.509 2.488 20 0 DEADHO CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000940918420 648971271 /nfs/dbraw/zinc/97/12/71/648971271.db2.gz PKSYLICUNSRCLT-DLBZAZTESA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(N2CCNC2=O)cc1 ZINC000829747217 649349718 /nfs/dbraw/zinc/34/97/18/649349718.db2.gz VUBGDAOTIGUEFQ-GOEBONIOSA-N 1 3 316.449 2.351 20 0 DEADHO C[C@H](NC(=O)NCCCCCC[NH3+])[C@H](c1ccccc1)N(C)C ZINC000831161114 649546059 /nfs/dbraw/zinc/54/60/59/649546059.db2.gz PVQSVDGMQHUANH-DOTOQJQBSA-N 1 3 320.481 2.496 20 0 DEADHO CC1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000832225526 649687174 /nfs/dbraw/zinc/68/71/74/649687174.db2.gz WWHVMYCDEHGQAN-KRWDZBQOSA-N 1 3 319.493 2.480 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000832790386 649746499 /nfs/dbraw/zinc/74/64/99/649746499.db2.gz UDDLFASPRJETAO-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CCN1C[C@@H](CN2CCC(CCC[NH+]3CCCC3)CC2)OC1=O ZINC000846834089 651355572 /nfs/dbraw/zinc/35/55/72/651355572.db2.gz KDQXDGAKOXQPIK-QGZVFWFLSA-N 1 3 323.481 2.415 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC000848720374 651497884 /nfs/dbraw/zinc/49/78/84/651497884.db2.gz VREIRRKEVHWTOJ-IKGGRYGDSA-N 1 3 301.434 2.037 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1C[C@H]1c1ccccc1 ZINC000849033764 651589905 /nfs/dbraw/zinc/58/99/05/651589905.db2.gz YSXSGLJMLZGNEQ-ULQDDVLXSA-N 1 3 300.450 2.388 20 0 DEADHO CC(F)(F)CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849031576 651589936 /nfs/dbraw/zinc/58/99/36/651589936.db2.gz UIGVFSGWAWHLKS-UHFFFAOYSA-N 1 3 310.392 2.420 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC[C@]1(C)C[C@@]1(F)Cl ZINC000849047705 651594796 /nfs/dbraw/zinc/59/47/96/651594796.db2.gz SNCVEHZGSQPZQJ-BNOWGMLFSA-N 1 3 304.841 2.289 20 0 DEADHO C/C(=C/c1ccco1)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000855344966 651678582 /nfs/dbraw/zinc/67/85/82/651678582.db2.gz JZSFXHBVXXVNFA-ZSMUJPCHSA-N 1 3 307.438 2.071 20 0 DEADHO C/C(=C/c1ccco1)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000855344966 651678583 /nfs/dbraw/zinc/67/85/83/651678583.db2.gz JZSFXHBVXXVNFA-ZSMUJPCHSA-N 1 3 307.438 2.071 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C/c1ccccc1 ZINC000855345636 651678642 /nfs/dbraw/zinc/67/86/42/651678642.db2.gz DDGBWGOHJARZFE-PCUGXKRQSA-N 1 3 303.450 2.088 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C/c1ccccc1 ZINC000855345636 651678644 /nfs/dbraw/zinc/67/86/44/651678644.db2.gz DDGBWGOHJARZFE-PCUGXKRQSA-N 1 3 303.450 2.088 20 0 DEADHO CN1CC[C@H]([NH2+]C[C@]23OCCC[C@H]2C3(F)F)[C@@H]2CCC[C@@H]21 ZINC000850532994 651948180 /nfs/dbraw/zinc/94/81/80/651948180.db2.gz QSEAYLLSEHWWRE-LXFSFDBISA-N 1 3 300.393 2.263 20 0 DEADHO C[N@@H+]1CC[C@H](NC[C@]23OCCC[C@H]2C3(F)F)[C@@H]2CCC[C@@H]21 ZINC000850532994 651948184 /nfs/dbraw/zinc/94/81/84/651948184.db2.gz QSEAYLLSEHWWRE-LXFSFDBISA-N 1 3 300.393 2.263 20 0 DEADHO C[N@H+]1CC[C@H](NC[C@]23OCCC[C@H]2C3(F)F)[C@@H]2CCC[C@@H]21 ZINC000850532994 651948189 /nfs/dbraw/zinc/94/81/89/651948189.db2.gz QSEAYLLSEHWWRE-LXFSFDBISA-N 1 3 300.393 2.263 20 0 DEADHO COC(=O)N(C)CC[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000850548334 651950911 /nfs/dbraw/zinc/95/09/11/651950911.db2.gz OMQXCOMEUUQPDG-WBVHZDCISA-N 1 3 319.449 2.185 20 0 DEADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](CCCCO)C2)ccn1 ZINC000856599394 651955534 /nfs/dbraw/zinc/95/55/34/651955534.db2.gz IFWAHZKQJLAALV-GOSISDBHSA-N 1 3 321.465 2.147 20 0 DEADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](CCCCO)C2)ccn1 ZINC000856599394 651955535 /nfs/dbraw/zinc/95/55/35/651955535.db2.gz IFWAHZKQJLAALV-GOSISDBHSA-N 1 3 321.465 2.147 20 0 DEADHO CO[C@H]1CC[C@@H]([NH+]2CCC(N3CCN(C(C)C)CC3)CC2)C1 ZINC000851878505 652267879 /nfs/dbraw/zinc/26/78/79/652267879.db2.gz CFVCJJKLQWYFIW-MSOLQXFVSA-N 1 3 309.498 2.044 20 0 DEADHO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCCF)N1CCCCCC1 ZINC001391068636 1156082979 /nfs/dbraw/zinc/08/29/79/1156082979.db2.gz MEGLEEPBQJGVEH-CVEARBPZSA-N 1 3 313.461 2.191 20 0 DEADHO C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CCCF)N1CCCCCC1 ZINC001391068636 1156082985 /nfs/dbraw/zinc/08/29/85/1156082985.db2.gz MEGLEEPBQJGVEH-CVEARBPZSA-N 1 3 313.461 2.191 20 0 DEADHO CCN(CCNC(=O)CC[NH+](C)C)[C@H](C)c1ccc(F)cc1 ZINC001372411805 1156395577 /nfs/dbraw/zinc/39/55/77/1156395577.db2.gz QWROECFGHYOHEQ-CQSZACIVSA-N 1 3 309.429 2.277 20 0 DEADHO CCC[N@@H+](C)CCC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001392193583 1156887069 /nfs/dbraw/zinc/88/70/69/1156887069.db2.gz DYNCSNNNEXTDEA-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C[NH2+]CC1CCC1)CC(C)C ZINC001374366901 1157829590 /nfs/dbraw/zinc/82/95/90/1157829590.db2.gz WEEVUINOAYAYHN-HNNXBMFYSA-N 1 3 306.454 2.181 20 0 DEADHO COc1ccc(OC)c([C@H](O)C[NH2+]C2CCN(C(C)C)CC2)c1 ZINC000387450823 685422547 /nfs/dbraw/zinc/42/25/47/685422547.db2.gz UUFRMZVKPUFLSB-QGZVFWFLSA-N 1 3 322.449 2.200 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CC[NH2+]C(C)(C)C ZINC000389987745 685437279 /nfs/dbraw/zinc/43/72/79/685437279.db2.gz MXPUYTJAUBGNPE-WBVHZDCISA-N 1 3 317.477 2.401 20 0 DEADHO CC(=O)N(C)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000858495531 685551044 /nfs/dbraw/zinc/55/10/44/685551044.db2.gz HCQYVJDNVCIUBN-ZNXRZULTSA-N 1 3 301.434 2.384 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(F)cc1C ZINC000087001344 684013420 /nfs/dbraw/zinc/01/34/20/684013420.db2.gz OGFGKGSFWGKMMO-INIZCTEOSA-N 1 3 306.429 2.065 20 0 DEADHO C[C@@H]([NH3+])[C@H]1CCN(CCOc2cccc(Br)c2)C1 ZINC000127194604 684161101 /nfs/dbraw/zinc/16/11/01/684161101.db2.gz ISCWZDQGTHOJHK-NEPJUHHUSA-N 1 3 313.239 2.497 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](CC3CC3)C2)C1)C1CC1 ZINC001054145179 693862478 /nfs/dbraw/zinc/86/24/78/693862478.db2.gz MBQHGNLIZDCKHB-HKUYNNGSSA-N 1 3 319.493 2.051 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CC3CC3)C2)C1)C1CC1 ZINC001054145179 693862482 /nfs/dbraw/zinc/86/24/82/693862482.db2.gz MBQHGNLIZDCKHB-HKUYNNGSSA-N 1 3 319.493 2.051 20 0 DEADHO CC(C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001054197352 693878048 /nfs/dbraw/zinc/87/80/48/693878048.db2.gz WPUVTFASKQLVOP-IBGZPJMESA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001054197352 693878051 /nfs/dbraw/zinc/87/80/51/693878051.db2.gz WPUVTFASKQLVOP-IBGZPJMESA-N 1 3 321.509 2.441 20 0 DEADHO CCCCN1Cc2ccc(CNC(=O)[C@@H]3CC[N@H+](C)C3)cc2C1 ZINC001054291977 693917130 /nfs/dbraw/zinc/91/71/30/693917130.db2.gz NFTXCBSEBUOACZ-QGZVFWFLSA-N 1 3 315.461 2.370 20 0 DEADHO CCCCN1Cc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)cc2C1 ZINC001054291977 693917132 /nfs/dbraw/zinc/91/71/32/693917132.db2.gz NFTXCBSEBUOACZ-QGZVFWFLSA-N 1 3 315.461 2.370 20 0 DEADHO CN(C[C@@H](O)CCOCc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000929699195 694008502 /nfs/dbraw/zinc/00/85/02/694008502.db2.gz IBIDWTQTYRNKJY-MOPGFXCFSA-N 1 3 320.477 2.228 20 0 DEADHO CN(C[C@@H](O)CCOCc1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000929699195 694008509 /nfs/dbraw/zinc/00/85/09/694008509.db2.gz IBIDWTQTYRNKJY-MOPGFXCFSA-N 1 3 320.477 2.228 20 0 DEADHO Cc1nnc(CC[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)o1 ZINC000929755689 694020801 /nfs/dbraw/zinc/02/08/01/694020801.db2.gz WSAHGRYJJHNYFJ-KRWDZBQOSA-N 1 3 314.433 2.374 20 0 DEADHO Cc1nnc(CC[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)o1 ZINC000929755689 694020805 /nfs/dbraw/zinc/02/08/05/694020805.db2.gz WSAHGRYJJHNYFJ-KRWDZBQOSA-N 1 3 314.433 2.374 20 0 DEADHO NCC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000863653234 686541081 /nfs/dbraw/zinc/54/10/81/686541081.db2.gz GCMQXLLFOZJSNC-MLGOLLRUSA-N 1 3 321.852 2.114 20 0 DEADHO COC(=O)[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000929842886 694040672 /nfs/dbraw/zinc/04/06/72/694040672.db2.gz FFTYETLMKPMYRT-VQHPVUNQSA-N 1 3 308.466 2.382 20 0 DEADHO COC(=O)[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000929842886 694040678 /nfs/dbraw/zinc/04/06/78/694040678.db2.gz FFTYETLMKPMYRT-VQHPVUNQSA-N 1 3 308.466 2.382 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CC1=CCCCC1 ZINC001054739513 694036253 /nfs/dbraw/zinc/03/62/53/694036253.db2.gz UFIFODIZFCIDJP-NVXWUHKLSA-N 1 3 319.493 2.408 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)c1 ZINC000864620916 686781481 /nfs/dbraw/zinc/78/14/81/686781481.db2.gz RSUFJRKQSAIWSU-JKSUJKDBSA-N 1 3 302.422 2.106 20 0 DEADHO Cn1nncc1CNCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000865718411 687312006 /nfs/dbraw/zinc/31/20/06/687312006.db2.gz YMMTVAXWRLIGNT-UHFFFAOYSA-N 1 3 313.449 2.207 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+][C@H](c2ccccn2)C(C)C)CC1 ZINC000866232277 687502499 /nfs/dbraw/zinc/50/24/99/687502499.db2.gz JDXALGZYCGBDGJ-WMZOPIPTSA-N 1 3 304.482 2.394 20 0 DEADHO Cc1cc(CN2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(C)s1 ZINC001016249911 687571635 /nfs/dbraw/zinc/57/16/35/687571635.db2.gz KWHZECMKOAUSCF-GDBMZVCRSA-N 1 3 321.490 2.007 20 0 DEADHO Cc1cc(CN2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c(C)s1 ZINC001016249911 687571640 /nfs/dbraw/zinc/57/16/40/687571640.db2.gz KWHZECMKOAUSCF-GDBMZVCRSA-N 1 3 321.490 2.007 20 0 DEADHO CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001016330331 687593379 /nfs/dbraw/zinc/59/33/79/687593379.db2.gz RMFFGECAKIQVHJ-MRXNPFEDSA-N 1 3 303.450 2.352 20 0 DEADHO CCCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001016330331 687593380 /nfs/dbraw/zinc/59/33/80/687593380.db2.gz RMFFGECAKIQVHJ-MRXNPFEDSA-N 1 3 303.450 2.352 20 0 DEADHO CCC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001016761558 687697390 /nfs/dbraw/zinc/69/73/90/687697390.db2.gz MUUCEKALRVQCHO-OAHLLOKOSA-N 1 3 307.482 2.242 20 0 DEADHO CN(CC(=O)N1CCC[C@H](C[N@H+](C)CC2CCC2)C1)C1CCC1 ZINC001017141254 687803073 /nfs/dbraw/zinc/80/30/73/687803073.db2.gz CJHHPSQFMUWQGP-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CN(CC(=O)N1CCC[C@H](C[N@@H+](C)CC2CCC2)C1)C1CCC1 ZINC001017141254 687803078 /nfs/dbraw/zinc/80/30/78/687803078.db2.gz CJHHPSQFMUWQGP-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](C[N@H+](C)C(C)C)C1 ZINC001017268345 687849552 /nfs/dbraw/zinc/84/95/52/687849552.db2.gz ZBEFMWOVENVXQB-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](C[N@@H+](C)C(C)C)C1 ZINC001017268345 687849559 /nfs/dbraw/zinc/84/95/59/687849559.db2.gz ZBEFMWOVENVXQB-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001017632762 687929148 /nfs/dbraw/zinc/92/91/48/687929148.db2.gz NCFOPGKNZHGFKA-ZACQAIPSSA-N 1 3 307.482 2.336 20 0 DEADHO CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001017632762 687929151 /nfs/dbraw/zinc/92/91/51/687929151.db2.gz NCFOPGKNZHGFKA-ZACQAIPSSA-N 1 3 307.482 2.336 20 0 DEADHO CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001018303837 688105832 /nfs/dbraw/zinc/10/58/32/688105832.db2.gz OZSWVGLDTUXNDT-CALCHBBNSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]CCC3CCCC3)C2)CCC1 ZINC001018962650 688262116 /nfs/dbraw/zinc/26/21/16/688262116.db2.gz ICNHBPKKUJTXLG-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]Cc3cccc(F)c3)C2)CCC1 ZINC001018962933 688262570 /nfs/dbraw/zinc/26/25/70/688262570.db2.gz QWKYBRWVNWVSOV-INIZCTEOSA-N 1 3 319.424 2.001 20 0 DEADHO CN(CC(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)C1)C1CCC1 ZINC001018972742 688264531 /nfs/dbraw/zinc/26/45/31/688264531.db2.gz MPYBRSJCCAITGN-HNNXBMFYSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(CF)cc2)C1)N(C)C ZINC001019033359 688274591 /nfs/dbraw/zinc/27/45/91/688274591.db2.gz KRPKVVKXJGEYFY-DLBZAZTESA-N 1 3 321.440 2.187 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001019381808 688343457 /nfs/dbraw/zinc/34/34/57/688343457.db2.gz WCMBTEACGLRLOA-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001019380726 688343610 /nfs/dbraw/zinc/34/36/10/688343610.db2.gz KHWIPUXHZGFAOT-RDJZCZTQSA-N 1 3 305.466 2.162 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CC3CC(C)(C)C3)C2)CC1 ZINC001019560605 688375535 /nfs/dbraw/zinc/37/55/35/688375535.db2.gz OPONORWSZPPAES-KRWDZBQOSA-N 1 3 321.509 2.345 20 0 DEADHO CCN1CCC([N@@H+]2CCCN(CCc3ccns3)CC2)CC1 ZINC000930751122 694232198 /nfs/dbraw/zinc/23/21/98/694232198.db2.gz MKKMNWSSCLTONU-UHFFFAOYSA-N 1 3 322.522 2.178 20 0 DEADHO CCN1CCC([N@H+]2CCCN(CCc3ccns3)CC2)CC1 ZINC000930751122 694232202 /nfs/dbraw/zinc/23/22/02/694232202.db2.gz MKKMNWSSCLTONU-UHFFFAOYSA-N 1 3 322.522 2.178 20 0 DEADHO c1c2c(sc1-c1nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no1)CCNC2 ZINC000871800577 688872668 /nfs/dbraw/zinc/87/26/68/688872668.db2.gz OOERLZWPBSUKND-CLYYMRHHSA-N 1 3 316.430 2.442 20 0 DEADHO C[C@H](C(=O)N1CCc2ccccc2C1)N(C)CCCCCC[NH3+] ZINC000872155554 688940476 /nfs/dbraw/zinc/94/04/76/688940476.db2.gz PZGMENARUJYDRP-MRXNPFEDSA-N 1 3 317.477 2.411 20 0 DEADHO CCN(CC)C(=O)CN1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156982 688940507 /nfs/dbraw/zinc/94/05/07/688940507.db2.gz MWCMXAFNEDBRPS-RDJZCZTQSA-N 1 3 309.498 2.474 20 0 DEADHO [NH3+][C@@H](C[C@@H]1CCCN(CC(=O)N2CCCC2)C1)C1CCCC1 ZINC000872158015 688941005 /nfs/dbraw/zinc/94/10/05/688941005.db2.gz RNLTYAWCQDWZCF-RDJZCZTQSA-N 1 3 307.482 2.228 20 0 DEADHO C[C@H]([NH2+]C[C@H](O)CC(C)(C)O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000872205334 688952012 /nfs/dbraw/zinc/95/20/12/688952012.db2.gz BRXSXAJIPIULKH-CGTJXYLNSA-N 1 3 320.477 2.009 20 0 DEADHO Cc1cc2c(CCNC[C@@H](O)C[NH+]3CCCC3)c[nH]c2cc1F ZINC000872225724 688957595 /nfs/dbraw/zinc/95/75/95/688957595.db2.gz NYIIAOGIPRQVNM-OAHLLOKOSA-N 1 3 319.424 2.204 20 0 DEADHO C[C@@H](c1ccccc1)N1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001031948481 689027397 /nfs/dbraw/zinc/02/73/97/689027397.db2.gz CMSDDDCPIRGJEH-HNNXBMFYSA-N 1 3 315.461 2.137 20 0 DEADHO Cc1cccc([C@H](C)N2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001032185638 689079890 /nfs/dbraw/zinc/07/98/90/689079890.db2.gz AQXOJULCNSJWDA-MAUKXSAKSA-N 1 3 315.461 2.056 20 0 DEADHO Cc1cccc([C@H](C)N2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001032185638 689079892 /nfs/dbraw/zinc/07/98/92/689079892.db2.gz AQXOJULCNSJWDA-MAUKXSAKSA-N 1 3 315.461 2.056 20 0 DEADHO CC(C)=CCN1CC(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001032204830 689083307 /nfs/dbraw/zinc/08/33/07/689083307.db2.gz GUXYXDFUWCQYOF-UHFFFAOYSA-N 1 3 315.461 2.376 20 0 DEADHO C[C@@H](C[NH2+]Cc1cccc(-n2cc(CN)nn2)c1)C(C)(C)C ZINC000873215816 689186330 /nfs/dbraw/zinc/18/63/30/689186330.db2.gz FRXGIVNRNYSVDZ-ZDUSSCGKSA-N 1 3 301.438 2.498 20 0 DEADHO C[C@@H](NC[C@H]1C[C@@H]([NH3+])C1)c1ncc(Br)cc1F ZINC000873248841 689193520 /nfs/dbraw/zinc/19/35/20/689193520.db2.gz FIXYKBUQXUCMEG-MRTMQBJTSA-N 1 3 302.191 2.371 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCCC2)C1 ZINC001032781879 689258524 /nfs/dbraw/zinc/25/85/24/689258524.db2.gz LQBSDBGQQNLTGB-SQNIBIBYSA-N 1 3 319.493 2.194 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCCC2)C1 ZINC001032781879 689258528 /nfs/dbraw/zinc/25/85/28/689258528.db2.gz LQBSDBGQQNLTGB-SQNIBIBYSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001033070427 689376203 /nfs/dbraw/zinc/37/62/03/689376203.db2.gz QGQFLSAORQTNGE-IRXDYDNUSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033070427 689376206 /nfs/dbraw/zinc/37/62/06/689376206.db2.gz QGQFLSAORQTNGE-IRXDYDNUSA-N 1 3 307.482 2.192 20 0 DEADHO CN(C(=O)C(C)(C)N1CCCCC1)[C@H]1CC[N@H+](CCCF)C1 ZINC001033075335 689377583 /nfs/dbraw/zinc/37/75/83/689377583.db2.gz FXZPPEBXUMPOAC-HNNXBMFYSA-N 1 3 313.461 2.143 20 0 DEADHO CN(C(=O)C(C)(C)N1CCCCC1)[C@H]1CC[N@@H+](CCCF)C1 ZINC001033075335 689377584 /nfs/dbraw/zinc/37/75/84/689377584.db2.gz FXZPPEBXUMPOAC-HNNXBMFYSA-N 1 3 313.461 2.143 20 0 DEADHO CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CCN(CCCF)C1 ZINC001033075335 689377586 /nfs/dbraw/zinc/37/75/86/689377586.db2.gz FXZPPEBXUMPOAC-HNNXBMFYSA-N 1 3 313.461 2.143 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001033125677 689398555 /nfs/dbraw/zinc/39/85/55/689398555.db2.gz HAKSDPMJEOVCJD-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033125677 689398556 /nfs/dbraw/zinc/39/85/56/689398556.db2.gz HAKSDPMJEOVCJD-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033143681 689403074 /nfs/dbraw/zinc/40/30/74/689403074.db2.gz JQKXHCZXPAIZIX-QZTJIDSGSA-N 1 3 321.509 2.463 20 0 DEADHO CC(C)=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033143681 689403076 /nfs/dbraw/zinc/40/30/76/689403076.db2.gz JQKXHCZXPAIZIX-QZTJIDSGSA-N 1 3 321.509 2.463 20 0 DEADHO CN(C(=O)[C@@H](C1CC1)N1CCCC1)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001033295786 689451845 /nfs/dbraw/zinc/45/18/45/689451845.db2.gz NLPCBMYHBQRFRK-ZWKOTPCHSA-N 1 3 319.493 2.194 20 0 DEADHO CN(C(=O)[C@@H](C1CC1)N1CCCC1)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033295786 689451848 /nfs/dbraw/zinc/45/18/48/689451848.db2.gz NLPCBMYHBQRFRK-ZWKOTPCHSA-N 1 3 319.493 2.194 20 0 DEADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000874831552 689506603 /nfs/dbraw/zinc/50/66/03/689506603.db2.gz ZAGALFSGNGWSHZ-RCCFBDPRSA-N 1 3 319.493 2.479 20 0 DEADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000874831552 689506606 /nfs/dbraw/zinc/50/66/06/689506606.db2.gz ZAGALFSGNGWSHZ-RCCFBDPRSA-N 1 3 319.493 2.479 20 0 DEADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000874833140 689508170 /nfs/dbraw/zinc/50/81/70/689508170.db2.gz JEVJZPQVOKHJBM-CVEARBPZSA-N 1 3 307.482 2.194 20 0 DEADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000874836133 689510322 /nfs/dbraw/zinc/51/03/22/689510322.db2.gz BQZHTUFTAOPAKI-SJORKVTESA-N 1 3 301.434 2.057 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001034205003 689761259 /nfs/dbraw/zinc/76/12/59/689761259.db2.gz RWMDGQFXZZYZTF-IAGOWNOFSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001034205003 689761260 /nfs/dbraw/zinc/76/12/60/689761260.db2.gz RWMDGQFXZZYZTF-IAGOWNOFSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001034205007 689761569 /nfs/dbraw/zinc/76/15/69/689761569.db2.gz RWMDGQFXZZYZTF-SJORKVTESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001034205007 689761574 /nfs/dbraw/zinc/76/15/74/689761574.db2.gz RWMDGQFXZZYZTF-SJORKVTESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CC2)C1 ZINC001034204310 689761684 /nfs/dbraw/zinc/76/16/84/689761684.db2.gz LSRLTGPAVSOAJX-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CC2)C1 ZINC001034204310 689761688 /nfs/dbraw/zinc/76/16/88/689761688.db2.gz LSRLTGPAVSOAJX-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO CN1CCN(C(=O)/C=C\[C@H]2CCC[NH2+]C2)C2(CCCCC2)C1 ZINC000876778676 689935050 /nfs/dbraw/zinc/93/50/50/689935050.db2.gz LNWJOFKKDDBLPF-XITLMJRVSA-N 1 3 305.466 2.019 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1)C1CC1 ZINC001034961408 689999655 /nfs/dbraw/zinc/99/96/55/689999655.db2.gz QZWGIESAUNDZGR-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CC[C@H](C)[NH3+] ZINC000877030228 690001772 /nfs/dbraw/zinc/00/17/72/690001772.db2.gz CBKVXDGBCADMPZ-YSVLISHTSA-N 1 3 301.434 2.257 20 0 DEADHO CCO[C@@H](CC[NH+](C)C)CNCc1ncc(C)c(OC)c1C ZINC000877158685 690033755 /nfs/dbraw/zinc/03/37/55/690033755.db2.gz KVDNTKBMLNMHFN-HNNXBMFYSA-N 1 3 309.454 2.153 20 0 DEADHO C[NH+]1CCC2(CCN(C(=O)C[C@H](N)c3ccccc3)CC2)CC1 ZINC000877192341 690041566 /nfs/dbraw/zinc/04/15/66/690041566.db2.gz MNEGWGAHYISOOF-KRWDZBQOSA-N 1 3 315.461 2.411 20 0 DEADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000877451490 690116835 /nfs/dbraw/zinc/11/68/35/690116835.db2.gz NJBCXWGACCFKIK-BRWVUGGUSA-N 1 3 315.461 2.408 20 0 DEADHO CN1CCN(CC[NH2+]Cc2cccc(Cl)c2N)CC1(C)C ZINC000877499642 690132577 /nfs/dbraw/zinc/13/25/77/690132577.db2.gz RQEUBEDUTUKUAD-UHFFFAOYSA-N 1 3 310.873 2.038 20 0 DEADHO Cc1ccc([C@@H](O)[C@@H](C)NC2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000877516803 690137582 /nfs/dbraw/zinc/13/75/82/690137582.db2.gz IKZJSWOUVMERQX-QAPCUYQASA-N 1 3 320.477 2.242 20 0 DEADHO CC[C@@H](C(=O)N1CCC2(C[NH+](CC3CCC3)C2)CC1)N(C)C ZINC001035796786 690178884 /nfs/dbraw/zinc/17/88/84/690178884.db2.gz NKDAJMDTRWAEBJ-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CC1(C)CCN(CC(=O)N2CCC3(C[NH+](CC4CC4)C3)CC2)C1 ZINC001035799236 690179505 /nfs/dbraw/zinc/17/95/05/690179505.db2.gz WQPVWMNFICHKNT-UHFFFAOYSA-N 1 3 319.493 2.053 20 0 DEADHO COCCN(Cc1n[nH]c2ccccc21)CC1CC[NH+](C)CC1 ZINC000877665049 690182798 /nfs/dbraw/zinc/18/27/98/690182798.db2.gz FGMSHNIPPRDXIR-UHFFFAOYSA-N 1 3 316.449 2.353 20 0 DEADHO COCCN(Cc1cnn(C(C)(C)C)c1)CC1CC[NH+](C)CC1 ZINC000877665162 690183613 /nfs/dbraw/zinc/18/36/13/690183613.db2.gz JWKIZTBFOORUEM-UHFFFAOYSA-N 1 3 322.497 2.428 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CC1CCCC1 ZINC001036063297 690250334 /nfs/dbraw/zinc/25/03/34/690250334.db2.gz JBMGFVCVQOQVPC-YJBOKZPZSA-N 1 3 321.509 2.488 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CC3CCC3)[C@H](C)C2)CC1 ZINC001036223138 690295281 /nfs/dbraw/zinc/29/52/81/690295281.db2.gz FFPIDMVRLMPWJT-SJLPKXTDSA-N 1 3 321.509 2.345 20 0 DEADHO CN1CCCC[C@H]1CC[N@H+](C)C[C@@H](O)C[C@H](O)c1ccccc1 ZINC000878134623 690320780 /nfs/dbraw/zinc/32/07/80/690320780.db2.gz DEYXAZSIADNDIO-FHWLQOOXSA-N 1 3 320.477 2.277 20 0 DEADHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@@H](O)C[C@H](O)c1ccccc1 ZINC000878134623 690320781 /nfs/dbraw/zinc/32/07/81/690320781.db2.gz DEYXAZSIADNDIO-FHWLQOOXSA-N 1 3 320.477 2.277 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@H]21 ZINC001036735231 690452180 /nfs/dbraw/zinc/45/21/80/690452180.db2.gz GNCSRSQGOFJREF-DLBZAZTESA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@H]21 ZINC001036735231 690452181 /nfs/dbraw/zinc/45/21/81/690452181.db2.gz GNCSRSQGOFJREF-DLBZAZTESA-N 1 3 321.509 2.440 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CC3CC3)C2)C1 ZINC001036820443 690486111 /nfs/dbraw/zinc/48/61/11/690486111.db2.gz IYMFRIUWMTYIRA-DLBZAZTESA-N 1 3 319.493 2.051 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CC3CC3)C2)C1 ZINC001036820443 690486114 /nfs/dbraw/zinc/48/61/14/690486114.db2.gz IYMFRIUWMTYIRA-DLBZAZTESA-N 1 3 319.493 2.051 20 0 DEADHO CC(C)(C)CC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001036830488 690490804 /nfs/dbraw/zinc/49/08/04/690490804.db2.gz WCRGGXIPGOIBQU-GOEBONIOSA-N 1 3 318.465 2.311 20 0 DEADHO CC(C)(C)CC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001036830488 690490808 /nfs/dbraw/zinc/49/08/08/690490808.db2.gz WCRGGXIPGOIBQU-GOEBONIOSA-N 1 3 318.465 2.311 20 0 DEADHO CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1ccccc1CN(C)C ZINC001037120351 690573471 /nfs/dbraw/zinc/57/34/71/690573471.db2.gz HXUWWWCRXDVJMH-RHSMWYFYSA-N 1 3 303.450 2.256 20 0 DEADHO CCC(CC)NC(=O)[C@@H](C)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248937 690602636 /nfs/dbraw/zinc/60/26/36/690602636.db2.gz ZKOHZICAFBHILG-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038250341 690757835 /nfs/dbraw/zinc/75/78/35/690757835.db2.gz ZWLQQBVPPZQTFQ-RDJZCZTQSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038250341 690757837 /nfs/dbraw/zinc/75/78/37/690757837.db2.gz ZWLQQBVPPZQTFQ-RDJZCZTQSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@]12CN(C[C@@H](O)C3CC3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000880022358 690782743 /nfs/dbraw/zinc/78/27/43/690782743.db2.gz OPQMDUMHRIFQBM-QRVBRYPASA-N 1 3 300.446 2.211 20 0 DEADHO C[C@]12CN(C[C@@H](O)C3CC3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000880022358 690782745 /nfs/dbraw/zinc/78/27/45/690782745.db2.gz OPQMDUMHRIFQBM-QRVBRYPASA-N 1 3 300.446 2.211 20 0 DEADHO CC(C)CN1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001038348961 690790533 /nfs/dbraw/zinc/79/05/33/690790533.db2.gz DRRYCCHXFXDJGG-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)CN1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001038348961 690790537 /nfs/dbraw/zinc/79/05/37/690790537.db2.gz DRRYCCHXFXDJGG-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO CCCN1CC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038553895 690855782 /nfs/dbraw/zinc/85/57/82/690855782.db2.gz CYIKMGXFRQBELX-INIZCTEOSA-N 1 3 303.450 2.005 20 0 DEADHO CCCN1CC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038553897 690855846 /nfs/dbraw/zinc/85/58/46/690855846.db2.gz CYIKMGXFRQBELX-MRXNPFEDSA-N 1 3 303.450 2.005 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN2CCC2=CCCCC2)C1 ZINC001039025630 690997122 /nfs/dbraw/zinc/99/71/22/690997122.db2.gz AXKROWAKNJKIEO-SJORKVTESA-N 1 3 305.466 2.019 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN2CCC2=CCCCC2)C1 ZINC001039025630 690997125 /nfs/dbraw/zinc/99/71/25/690997125.db2.gz AXKROWAKNJKIEO-SJORKVTESA-N 1 3 305.466 2.019 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001039111759 691022375 /nfs/dbraw/zinc/02/23/75/691022375.db2.gz ADYTUVQRNPNKQJ-ZWKOTPCHSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001039111759 691022380 /nfs/dbraw/zinc/02/23/80/691022380.db2.gz ADYTUVQRNPNKQJ-ZWKOTPCHSA-N 1 3 321.509 2.297 20 0 DEADHO CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001039135144 691029529 /nfs/dbraw/zinc/02/95/29/691029529.db2.gz YJDVGMRTMNZONL-ZWKOTPCHSA-N 1 3 321.509 2.297 20 0 DEADHO CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001039135144 691029532 /nfs/dbraw/zinc/02/95/32/691029532.db2.gz YJDVGMRTMNZONL-ZWKOTPCHSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039165197 691037792 /nfs/dbraw/zinc/03/77/92/691037792.db2.gz OPHYUPMNNPZMJL-AEFFLSMTSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039165197 691037796 /nfs/dbraw/zinc/03/77/96/691037796.db2.gz OPHYUPMNNPZMJL-AEFFLSMTSA-N 1 3 321.509 2.440 20 0 DEADHO CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C(C)C)N(C)C ZINC001039281486 691074532 /nfs/dbraw/zinc/07/45/32/691074532.db2.gz PWKLYCWWWWSHLH-HMQMGEFJSA-N 1 3 309.498 2.484 20 0 DEADHO C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CC2)C1 ZINC001039974064 691171632 /nfs/dbraw/zinc/17/16/32/691171632.db2.gz KYKXNCJRWGLAFI-KURKYZTESA-N 1 3 319.493 2.194 20 0 DEADHO C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CC2)C1 ZINC001039974064 691171633 /nfs/dbraw/zinc/17/16/33/691171633.db2.gz KYKXNCJRWGLAFI-KURKYZTESA-N 1 3 319.493 2.194 20 0 DEADHO C[C@@H](F)CC[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040424391 691246577 /nfs/dbraw/zinc/24/65/77/691246577.db2.gz ZOERJABBFFTAIE-PBHICJAKSA-N 1 3 322.428 2.015 20 0 DEADHO C[C@@H](F)CC[N@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040424391 691246580 /nfs/dbraw/zinc/24/65/80/691246580.db2.gz ZOERJABBFFTAIE-PBHICJAKSA-N 1 3 322.428 2.015 20 0 DEADHO CC(C)[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)CC1 ZINC001040729364 691282772 /nfs/dbraw/zinc/28/27/72/691282772.db2.gz HSHYPHOJTVOSLQ-INIZCTEOSA-N 1 3 307.482 2.050 20 0 DEADHO O=c1oc2ccc(C[NH2+]C3CCN(C4CCC4)CC3)cc2o1 ZINC000882935588 691390576 /nfs/dbraw/zinc/39/05/76/691390576.db2.gz WDUYYBWMCASETJ-UHFFFAOYSA-N 1 3 302.374 2.493 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@]3(CC[N@H+](CC4CC4)C3)C2)CC1 ZINC001041757333 691424637 /nfs/dbraw/zinc/42/46/37/691424637.db2.gz SFVVPWXYNQXCKD-IBGZPJMESA-N 1 3 319.493 2.053 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@]3(CC[N@@H+](CC4CC4)C3)C2)CC1 ZINC001041757333 691424640 /nfs/dbraw/zinc/42/46/40/691424640.db2.gz SFVVPWXYNQXCKD-IBGZPJMESA-N 1 3 319.493 2.053 20 0 DEADHO CN(CCN1CC[NH2+]CC1)C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883416916 691503339 /nfs/dbraw/zinc/50/33/39/691503339.db2.gz INFVTLDVTSWFLM-OALUTQOASA-N 1 3 317.477 2.134 20 0 DEADHO N[C@H](CC1CC1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000884180985 691675695 /nfs/dbraw/zinc/67/56/95/691675695.db2.gz RIKBWMOOQMJQKD-QGZVFWFLSA-N 1 3 301.434 2.026 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001044959393 691919632 /nfs/dbraw/zinc/91/96/32/691919632.db2.gz GVSAQRFSWDACBG-JKSUJKDBSA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@H]2C[NH2+]CC2CC(C)(C)C2)CCC1 ZINC001045069183 691935167 /nfs/dbraw/zinc/93/51/67/691935167.db2.gz VCCHRFHTDJIIOY-INIZCTEOSA-N 1 3 321.509 2.488 20 0 DEADHO CN1CCCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CCC(F)(F)F)C1 ZINC001046558090 692222515 /nfs/dbraw/zinc/22/25/15/692222515.db2.gz RQMWYVIHWZIQNT-GXTWGEPZSA-N 1 3 321.387 2.004 20 0 DEADHO CN1CCCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CCC(F)(F)F)C1 ZINC001046558090 692222519 /nfs/dbraw/zinc/22/25/19/692222519.db2.gz RQMWYVIHWZIQNT-GXTWGEPZSA-N 1 3 321.387 2.004 20 0 DEADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1CC[C@H]1COC(C)(C)O1 ZINC000887134511 692287916 /nfs/dbraw/zinc/28/79/16/692287916.db2.gz KYGPZJJOERXTRE-HOCLYGCPSA-N 1 3 305.422 2.134 20 0 DEADHO C[C@H]([NH2+]CC1CCCC1)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047864270 692502950 /nfs/dbraw/zinc/50/29/50/692502950.db2.gz LNDXVPYBYIYXLH-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCC(C)C)C[C@@H]2C1 ZINC001049234321 692796303 /nfs/dbraw/zinc/79/63/03/692796303.db2.gz DCFGZKPOONDZBC-KSZLIROESA-N 1 3 321.509 2.297 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCC(C)C)C[C@@H]2C1 ZINC001049234321 692796304 /nfs/dbraw/zinc/79/63/04/692796304.db2.gz DCFGZKPOONDZBC-KSZLIROESA-N 1 3 321.509 2.297 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CC1 ZINC001049508549 692904811 /nfs/dbraw/zinc/90/48/11/692904811.db2.gz QFLLBEGHIYBDLL-RCCFBDPRSA-N 1 3 319.493 2.336 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CC1 ZINC001049508549 692904812 /nfs/dbraw/zinc/90/48/12/692904812.db2.gz QFLLBEGHIYBDLL-RCCFBDPRSA-N 1 3 319.493 2.336 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCC1)N(C)C ZINC001049534606 692914775 /nfs/dbraw/zinc/91/47/75/692914775.db2.gz WNXADYCKCLLYQB-KURKYZTESA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CCC1)N(C)C ZINC001049534606 692914778 /nfs/dbraw/zinc/91/47/78/692914778.db2.gz WNXADYCKCLLYQB-KURKYZTESA-N 1 3 321.509 2.438 20 0 DEADHO C[NH+](C)Cc1cccc(CN[C@@H]2CCC3(C[C@@H]2F)OCCO3)c1 ZINC000893329214 692967522 /nfs/dbraw/zinc/96/75/22/692967522.db2.gz CARDNRPHCGEJIL-DLBZAZTESA-N 1 3 322.424 2.472 20 0 DEADHO C[NH+](C)Cc1cccc(CN[C@@H]2CCC3(C[C@H]2F)OCCO3)c1 ZINC000893329215 692967582 /nfs/dbraw/zinc/96/75/82/692967582.db2.gz CARDNRPHCGEJIL-IAGOWNOFSA-N 1 3 322.424 2.472 20 0 DEADHO CN1CCC[N@H+](CCCN[C@H]2CCc3c2nccc3Cl)CC1 ZINC000924966977 693208330 /nfs/dbraw/zinc/20/83/30/693208330.db2.gz SISZNAFPXAUKDF-INIZCTEOSA-N 1 3 322.884 2.340 20 0 DEADHO CN1CCC[N@@H+](CCCN[C@H]2CCc3c2nccc3Cl)CC1 ZINC000924966977 693208332 /nfs/dbraw/zinc/20/83/32/693208332.db2.gz SISZNAFPXAUKDF-INIZCTEOSA-N 1 3 322.884 2.340 20 0 DEADHO C[C@H]1[C@H](C)OC[C@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000925224185 693243200 /nfs/dbraw/zinc/24/32/00/693243200.db2.gz YGRXACANZFOURC-YZVOILCLSA-N 1 3 318.461 2.156 20 0 DEADHO CC[C@@H]1COC[C@@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000925223613 693243591 /nfs/dbraw/zinc/24/35/91/693243591.db2.gz XFRFRSXSLCPURR-BEFAXECRSA-N 1 3 318.461 2.158 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC1CC1)CC2 ZINC001050764244 693246201 /nfs/dbraw/zinc/24/62/01/693246201.db2.gz ASLZMSLWTASLBM-KRWDZBQOSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@H](C[NH2+][C@H]1C[C@H](N)C12CCC2)N1CCc2sccc2C1 ZINC000925494082 693282318 /nfs/dbraw/zinc/28/23/18/693282318.db2.gz SWVUFGXAJAFWGX-KCXAZCMYSA-N 1 3 305.491 2.354 20 0 DEADHO CC1(C)C[C@@H](NCc2ccc(Cn3cncn3)cc2)C[C@@H]([NH3+])C1 ZINC000925536310 693291399 /nfs/dbraw/zinc/29/13/99/693291399.db2.gz COKHJWCFRRKZSC-SJORKVTESA-N 1 3 313.449 2.322 20 0 DEADHO CCOC(=O)N1CCC([NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925538490 693292226 /nfs/dbraw/zinc/29/22/26/693292226.db2.gz RGMRMZFUYNOOSA-DLBZAZTESA-N 1 3 323.481 2.365 20 0 DEADHO COc1cc(CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)ccc1OCCO ZINC000925612941 693308899 /nfs/dbraw/zinc/30/88/99/693308899.db2.gz OMBKXGHOEOBRCU-GJZGRUSLSA-N 1 3 322.449 2.062 20 0 DEADHO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H]2CCNC23CCC3)C1 ZINC000925646503 693316171 /nfs/dbraw/zinc/31/61/71/693316171.db2.gz VPHALQWGBCBRLY-ILXRZTDVSA-N 1 3 309.454 2.118 20 0 DEADHO C[C@@H](NCCN1CCC([NH3+])CC1)c1cc(F)c(F)c(F)c1 ZINC000925808232 693345254 /nfs/dbraw/zinc/34/52/54/693345254.db2.gz BMIIBEAFYALCNG-SNVBAGLBSA-N 1 3 301.356 2.178 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C/C=C/Cl)CC2)CC[N@@H+]1C ZINC001052393826 693522841 /nfs/dbraw/zinc/52/28/41/693522841.db2.gz RNYQYZKVKVOVEV-DCWGYRKISA-N 1 3 313.873 2.050 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C/C=C/Cl)CC2)CC[N@H+]1C ZINC001052393826 693522843 /nfs/dbraw/zinc/52/28/43/693522843.db2.gz RNYQYZKVKVOVEV-DCWGYRKISA-N 1 3 313.873 2.050 20 0 DEADHO CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001052713321 693602151 /nfs/dbraw/zinc/60/21/51/693602151.db2.gz UZQFTBJHHLSLRO-IAGOWNOFSA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001052713321 693602154 /nfs/dbraw/zinc/60/21/54/693602154.db2.gz UZQFTBJHHLSLRO-IAGOWNOFSA-N 1 3 307.482 2.408 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001052897231 693643502 /nfs/dbraw/zinc/64/35/02/693643502.db2.gz HPUUSULKQPCRJO-UKRRQHHQSA-N 1 3 306.454 2.277 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCC[C@@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001052897231 693643505 /nfs/dbraw/zinc/64/35/05/693643505.db2.gz HPUUSULKQPCRJO-UKRRQHHQSA-N 1 3 306.454 2.277 20 0 DEADHO CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053029008 693672933 /nfs/dbraw/zinc/67/29/33/693672933.db2.gz OSMMEGDJGIZEKE-SJORKVTESA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053029008 693672937 /nfs/dbraw/zinc/67/29/37/693672937.db2.gz OSMMEGDJGIZEKE-SJORKVTESA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053097361 693688606 /nfs/dbraw/zinc/68/86/06/693688606.db2.gz FBWONIPEZBMMJX-NVXWUHKLSA-N 1 3 318.465 2.454 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053097361 693688609 /nfs/dbraw/zinc/68/86/09/693688609.db2.gz FBWONIPEZBMMJX-NVXWUHKLSA-N 1 3 318.465 2.454 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)C/C=C/Cl)C1)N(C)C ZINC001402397055 1162343976 /nfs/dbraw/zinc/34/39/76/1162343976.db2.gz VUSAAWBMFXBSLQ-MMCPSDEHSA-N 1 3 315.889 2.250 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H](C[N@@H+](C)C/C=C/Cl)C1)N(C)C ZINC001402397055 1162343978 /nfs/dbraw/zinc/34/39/78/1162343978.db2.gz VUSAAWBMFXBSLQ-MMCPSDEHSA-N 1 3 315.889 2.250 20 0 DEADHO CC[NH+]1CCC([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)CC1 ZINC001402418039 1162349283 /nfs/dbraw/zinc/34/92/83/1162349283.db2.gz UPXKZBFYEUQYMI-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)N(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001402577931 1162399324 /nfs/dbraw/zinc/39/93/24/1162399324.db2.gz MSILWPWXGZHXSW-ALOPSCKCSA-N 1 3 307.482 2.238 20 0 DEADHO CC(C)N(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001402577931 1162399327 /nfs/dbraw/zinc/39/93/27/1162399327.db2.gz MSILWPWXGZHXSW-ALOPSCKCSA-N 1 3 307.482 2.238 20 0 DEADHO CCC1([NH2+]CC[C@H](C)F)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001402709245 1162446771 /nfs/dbraw/zinc/44/67/71/1162446771.db2.gz HCVXLSDIIYIGDA-HNNXBMFYSA-N 1 3 315.477 2.436 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001402752546 1162460052 /nfs/dbraw/zinc/46/00/52/1162460052.db2.gz MUFXSNIBHLEBIC-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001402817704 1162482696 /nfs/dbraw/zinc/48/26/96/1162482696.db2.gz IJYGKEGTTMAVQG-JKSUJKDBSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001402817704 1162482699 /nfs/dbraw/zinc/48/26/99/1162482699.db2.gz IJYGKEGTTMAVQG-JKSUJKDBSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]CC1CC2(CCC2)C1)C1CC1 ZINC001379926509 1152714143 /nfs/dbraw/zinc/71/41/43/1152714143.db2.gz YYVYXJUBNAJZIJ-QGZVFWFLSA-N 1 3 321.509 2.391 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC001361775017 1152737584 /nfs/dbraw/zinc/73/75/84/1152737584.db2.gz MNLSUPJKBGRZOR-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C1CC[NH+](CCC2CC2)CC1)N(C)C ZINC001380146571 1152757010 /nfs/dbraw/zinc/75/70/10/1152757010.db2.gz PXQAUSZMRMAJEW-WMLDXEAASA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](F)CNC1(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001380152435 1152758075 /nfs/dbraw/zinc/75/80/75/1152758075.db2.gz MNDVEQHKSJCPIT-GJZGRUSLSA-N 1 3 313.461 2.237 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1(C)CC[NH+](CC2CC2)CC1 ZINC001380324037 1152788723 /nfs/dbraw/zinc/78/87/23/1152788723.db2.gz YHKVHHGYICBCPA-GASCZTMLSA-N 1 3 307.482 2.240 20 0 DEADHO CN(C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001362246369 1152859786 /nfs/dbraw/zinc/85/97/86/1152859786.db2.gz FHCIYCNFKDPDOM-MAUKXSAKSA-N 1 3 317.477 2.485 20 0 DEADHO CC(C)C[NH+]1CCC(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC001362282488 1152868189 /nfs/dbraw/zinc/86/81/89/1152868189.db2.gz RMXBUOAYTUDRMX-HOCLYGCPSA-N 1 3 307.482 2.096 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2cccc(C)c2)CCC1)N(C)C ZINC001380893308 1152874401 /nfs/dbraw/zinc/87/44/01/1152874401.db2.gz HJPYVFKNZKNARX-KRWDZBQOSA-N 1 3 317.477 2.464 20 0 DEADHO CC[C@H]1CN(C)CCCN1C(=O)c1cccc(CC[NH+](C)C)c1 ZINC001362486429 1152931331 /nfs/dbraw/zinc/93/13/31/1152931331.db2.gz XAHCGIWMTGCQKD-SFHVURJKSA-N 1 3 317.477 2.347 20 0 DEADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001381221628 1152958577 /nfs/dbraw/zinc/95/85/77/1152958577.db2.gz DHTJVPIMXRJVSV-DOTOQJQBSA-N 1 3 305.466 2.320 20 0 DEADHO C[C@H](NCC=C(Cl)Cl)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001381423185 1153049024 /nfs/dbraw/zinc/04/90/24/1153049024.db2.gz SOGSUESTTCRKCQ-QWRGUYRKSA-N 1 3 322.280 2.130 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC001362780477 1153086537 /nfs/dbraw/zinc/08/65/37/1153086537.db2.gz ZXPCJYAPWXIYDH-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N(C)Cc1ccc(F)cc1C ZINC001381599255 1153146704 /nfs/dbraw/zinc/14/67/04/1153146704.db2.gz JRCGPIDSWMEPJJ-HNNXBMFYSA-N 1 3 323.456 2.412 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N(C)Cc1ccc(F)cc1C ZINC001381599255 1153146709 /nfs/dbraw/zinc/14/67/09/1153146709.db2.gz JRCGPIDSWMEPJJ-HNNXBMFYSA-N 1 3 323.456 2.412 20 0 DEADHO CC(C)[C@@H](CCN(C)C(=O)CN1CCCC1)[NH2+]C/C=C\Cl ZINC001381713250 1153192526 /nfs/dbraw/zinc/19/25/26/1153192526.db2.gz DROBTGHROBBUOR-DDJMYBDESA-N 1 3 315.889 2.297 20 0 DEADHO COc1ccc([C@H](CN(C)C)NC(=O)[C@H](C)CC[NH+](C)C)cc1 ZINC001363173798 1153254118 /nfs/dbraw/zinc/25/41/18/1153254118.db2.gz JGNWIRJWMCAWOC-PBHICJAKSA-N 1 3 321.465 2.002 20 0 DEADHO CC[C@H](F)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC001381982210 1153303521 /nfs/dbraw/zinc/30/35/21/1153303521.db2.gz WMKCPASVJKPMNY-HOCLYGCPSA-N 1 3 313.461 2.142 20 0 DEADHO CC[C@H](F)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC001381982210 1153303530 /nfs/dbraw/zinc/30/35/30/1153303530.db2.gz WMKCPASVJKPMNY-HOCLYGCPSA-N 1 3 313.461 2.142 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001381990602 1153308856 /nfs/dbraw/zinc/30/88/56/1153308856.db2.gz ZETDQPKSRHQLSL-UHFFFAOYSA-N 1 3 317.477 2.450 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001381990602 1153308863 /nfs/dbraw/zinc/30/88/63/1153308863.db2.gz ZETDQPKSRHQLSL-UHFFFAOYSA-N 1 3 317.477 2.450 20 0 DEADHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)NCc1cc2ccccc2o1 ZINC001382113342 1153362084 /nfs/dbraw/zinc/36/20/84/1153362084.db2.gz MBXFELYEHLQRJO-AWEZNQCLSA-N 1 3 317.433 2.321 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(F)c2)[C@@H]1C ZINC001382313504 1153421253 /nfs/dbraw/zinc/42/12/53/1153421253.db2.gz UCRHYKZXZMPSFW-WMLDXEAASA-N 1 3 321.440 2.245 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC2CC3(CCC3)C2)C[C@H]1C ZINC001382317684 1153422032 /nfs/dbraw/zinc/42/20/32/1153422032.db2.gz UGMNZQIGWVHYHR-NVXWUHKLSA-N 1 3 321.509 2.486 20 0 DEADHO CN1C[C@@H]2CC[C@H]([NH2+][C@H]3CCCN(C(=O)OC(C)(C)C)C3)[C@@H]2C1 ZINC001363675302 1153548174 /nfs/dbraw/zinc/54/81/74/1153548174.db2.gz DTHSELNFFJGFHG-JONQDZQNSA-N 1 3 323.481 2.316 20 0 DEADHO C[C@@H](C[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CN(C)C ZINC001363870592 1153682025 /nfs/dbraw/zinc/68/20/25/1153682025.db2.gz HWDNFQQNUSTSJK-NWDGAFQWSA-N 1 3 323.428 2.322 20 0 DEADHO C[C@@H](CNC[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C[NH+](C)C ZINC001363870592 1153682026 /nfs/dbraw/zinc/68/20/26/1153682026.db2.gz HWDNFQQNUSTSJK-NWDGAFQWSA-N 1 3 323.428 2.322 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@H](C)[NH2+]CCC1CCCC1 ZINC001403010075 1162623115 /nfs/dbraw/zinc/62/31/15/1162623115.db2.gz MLCCAECTVNYARW-STQMWFEESA-N 1 3 306.454 2.324 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001388720496 1155074119 /nfs/dbraw/zinc/07/41/19/1155074119.db2.gz GMMBWIQTWRDUDB-DJIMGWMZSA-N 1 3 321.440 2.150 20 0 DEADHO C[C@H](c1ccccc1)N1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001389396017 1155329606 /nfs/dbraw/zinc/32/96/06/1155329606.db2.gz YJIKAEJQFXORNM-NVXWUHKLSA-N 1 3 303.450 2.280 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001389954578 1155481953 /nfs/dbraw/zinc/48/19/53/1155481953.db2.gz DXHZANDDSGFBNC-KSZLIROESA-N 1 3 317.477 2.318 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@H+](CC3CCC3)CC[C@H]21 ZINC001389965384 1155484886 /nfs/dbraw/zinc/48/48/86/1155484886.db2.gz WEZSDKARRBOLSA-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@@H+](CC3CCC3)CC[C@H]21 ZINC001389965384 1155484889 /nfs/dbraw/zinc/48/48/89/1155484889.db2.gz WEZSDKARRBOLSA-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001390057732 1155514454 /nfs/dbraw/zinc/51/44/54/1155514454.db2.gz HOVLHIWTHDAMAX-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO CCC[N@H+]1CCC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001390057732 1155514455 /nfs/dbraw/zinc/51/44/55/1155514455.db2.gz HOVLHIWTHDAMAX-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO CC[C@@H](F)C[NH2+]C1CCC(NC(=O)CN(C)C(C)C)CC1 ZINC001390270520 1155618860 /nfs/dbraw/zinc/61/88/60/1155618860.db2.gz ARSSCEOQQFXJHR-WLYUNCDWSA-N 1 3 301.450 2.092 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCc2ccccc21 ZINC001390407384 1155703784 /nfs/dbraw/zinc/70/37/84/1155703784.db2.gz UGCAIGVVEPTYPQ-RHSMWYFYSA-N 1 3 315.461 2.253 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)c1cccc(F)c1 ZINC001390405788 1155704097 /nfs/dbraw/zinc/70/40/97/1155704097.db2.gz RPNWTNDZHJWDPZ-ZIAGYGMSSA-N 1 3 321.440 2.465 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001371199765 1155780018 /nfs/dbraw/zinc/78/00/18/1155780018.db2.gz IQIAMVOZGGANFL-QWHCGFSZSA-N 1 3 317.424 2.000 20 0 DEADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCc1ccccc1F ZINC001371331024 1155824939 /nfs/dbraw/zinc/82/49/39/1155824939.db2.gz BRYVFPGXDSLKNI-KKUMJFAQSA-N 1 3 321.440 2.150 20 0 DEADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCc1ccccc1F ZINC001371331024 1155824942 /nfs/dbraw/zinc/82/49/42/1155824942.db2.gz BRYVFPGXDSLKNI-KKUMJFAQSA-N 1 3 321.440 2.150 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001371415988 1155847618 /nfs/dbraw/zinc/84/76/18/1155847618.db2.gz GYZJNIISCKJRFQ-CJNGLKHVSA-N 1 3 309.429 2.069 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCC(F)(F)F ZINC001390725597 1155851375 /nfs/dbraw/zinc/85/13/75/1155851375.db2.gz DBTWVWOQMVPQOQ-STQMWFEESA-N 1 3 323.403 2.298 20 0 DEADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]C/C=C\Cl ZINC001371463569 1155856597 /nfs/dbraw/zinc/85/65/97/1155856597.db2.gz GCEZYXFUEVUZFZ-UJZCVKTISA-N 1 3 309.841 2.209 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCC(C)C)C1 ZINC001371657272 1155896775 /nfs/dbraw/zinc/89/67/75/1155896775.db2.gz GLYJJJDXQVPGNC-CABCVRRESA-N 1 3 306.454 2.324 20 0 DEADHO CCN(CCNC(=O)CC[NH+](C)C)[C@H](C)c1cccc(F)c1 ZINC001390969356 1156018270 /nfs/dbraw/zinc/01/82/70/1156018270.db2.gz ZWXKQOGJSLVPRC-CQSZACIVSA-N 1 3 309.429 2.277 20 0 DEADHO C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CCCF)N1CCCCCC1 ZINC001391068640 1156082586 /nfs/dbraw/zinc/08/25/86/1156082586.db2.gz MEGLEEPBQJGVEH-HZPDHXFCSA-N 1 3 313.461 2.191 20 0 DEADHO C[C@H](C(=O)NC[C@H]1CCC[N@H+]1CCCF)N1CCCCCC1 ZINC001391068640 1156082592 /nfs/dbraw/zinc/08/25/92/1156082592.db2.gz MEGLEEPBQJGVEH-HZPDHXFCSA-N 1 3 313.461 2.191 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[N@H+](C)CC2CCCCCC2)C1 ZINC001372103105 1156213533 /nfs/dbraw/zinc/21/35/33/1156213533.db2.gz NXLPXYUZQUEHII-INIZCTEOSA-N 1 3 309.498 2.347 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[N@@H+](C)CC2CCCCCC2)C1 ZINC001372103105 1156213545 /nfs/dbraw/zinc/21/35/45/1156213545.db2.gz NXLPXYUZQUEHII-INIZCTEOSA-N 1 3 309.498 2.347 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC)c1ccccc1 ZINC001391263401 1156296069 /nfs/dbraw/zinc/29/60/69/1156296069.db2.gz LIZSOOXEZYXUMC-SJORKVTESA-N 1 3 303.450 2.328 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001372239506 1156321141 /nfs/dbraw/zinc/32/11/41/1156321141.db2.gz IDVHPLXSPWKFQC-UHFFFAOYSA-N 1 3 316.449 2.056 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001372239506 1156321145 /nfs/dbraw/zinc/32/11/45/1156321145.db2.gz IDVHPLXSPWKFQC-UHFFFAOYSA-N 1 3 316.449 2.056 20 0 DEADHO C[NH+](C)CCC(=O)NCC1CN(CC/C=C/c2ccccc2)C1 ZINC001391494625 1156464444 /nfs/dbraw/zinc/46/44/44/1156464444.db2.gz DFDPNAQNINQEOD-UXBLZVDNSA-N 1 3 315.461 2.090 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001372683844 1156681592 /nfs/dbraw/zinc/68/15/92/1156681592.db2.gz RUGZXRALQJCMRR-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001372683844 1156681601 /nfs/dbraw/zinc/68/16/01/1156681601.db2.gz RUGZXRALQJCMRR-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)Cc1cccc(F)c1 ZINC001403175553 1162807859 /nfs/dbraw/zinc/80/78/59/1162807859.db2.gz VLJHHOCSCGTVCN-AWEZNQCLSA-N 1 3 321.440 2.104 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1c(C)cccc1C)N(C)C ZINC001391899159 1156827618 /nfs/dbraw/zinc/82/76/18/1156827618.db2.gz KERFYNFYXUQNPL-KBXCAEBGSA-N 1 3 319.493 2.486 20 0 DEADHO Cc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001392048626 1156856767 /nfs/dbraw/zinc/85/67/67/1156856767.db2.gz HVKISOMZIBNAOF-WBVHZDCISA-N 1 3 303.450 2.026 20 0 DEADHO CCC[N@H+](C)CCC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001392193583 1156887065 /nfs/dbraw/zinc/88/70/65/1156887065.db2.gz DYNCSNNNEXTDEA-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H](CN(C)C/C=C\Cl)C1)[NH+](C)C ZINC001373291006 1156937133 /nfs/dbraw/zinc/93/71/33/1156937133.db2.gz GZGKBKBVPQGRPP-NEFCLYRVSA-N 1 3 315.889 2.105 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1(NCc2ccsc2)CC1 ZINC001392899811 1157529238 /nfs/dbraw/zinc/52/92/38/1157529238.db2.gz ZCOHKUHCMASJBB-OAHLLOKOSA-N 1 3 321.490 2.359 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1(NCc2ccsc2)CC1 ZINC001392899811 1157529248 /nfs/dbraw/zinc/52/92/48/1157529248.db2.gz ZCOHKUHCMASJBB-OAHLLOKOSA-N 1 3 321.490 2.359 20 0 DEADHO CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)CN(C)C(C)C)CC2 ZINC001374192159 1157708347 /nfs/dbraw/zinc/70/83/47/1157708347.db2.gz XQERUHWJYNJEHL-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H](C[NH2+]Cc1cccc(F)c1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001374233604 1157751486 /nfs/dbraw/zinc/75/14/86/1157751486.db2.gz NMRMLHXGSMOOGU-CQSZACIVSA-N 1 3 321.440 2.247 20 0 DEADHO CC[C@H](C)C[N@H+]1C[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001393415129 1157824247 /nfs/dbraw/zinc/82/42/47/1157824247.db2.gz DMNIGKFLSDFHMU-YESZJQIVSA-N 1 3 323.525 2.401 20 0 DEADHO CC[C@H](C)C[N@@H+]1C[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001393415129 1157824252 /nfs/dbraw/zinc/82/42/52/1157824252.db2.gz DMNIGKFLSDFHMU-YESZJQIVSA-N 1 3 323.525 2.401 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CCC(N(C)C/C=C\Cl)CC1 ZINC001403482860 1162897152 /nfs/dbraw/zinc/89/71/52/1162897152.db2.gz IPTUXAYYKUCLBV-UITAMQMPSA-N 1 3 301.862 2.004 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CCC(N(C)C/C=C\Cl)CC1 ZINC001403482860 1162897154 /nfs/dbraw/zinc/89/71/54/1162897154.db2.gz IPTUXAYYKUCLBV-UITAMQMPSA-N 1 3 301.862 2.004 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]CCc2cccs2)CCC1)N(C)C ZINC001393565384 1157865490 /nfs/dbraw/zinc/86/54/90/1157865490.db2.gz FDBTZQUECZHRAL-HNNXBMFYSA-N 1 3 323.506 2.259 20 0 DEADHO Cc1ccc(C[N@@H+](C)CCN(C)C(=O)CN2CCCC2)c(C)c1 ZINC001374553917 1157897969 /nfs/dbraw/zinc/89/79/69/1157897969.db2.gz CZPRMZIXJWNKKA-UHFFFAOYSA-N 1 3 317.477 2.289 20 0 DEADHO Cc1ccc(C[N@H+](C)CCN(C)C(=O)CN2CCCC2)c(C)c1 ZINC001374553917 1157897971 /nfs/dbraw/zinc/89/79/71/1157897971.db2.gz CZPRMZIXJWNKKA-UHFFFAOYSA-N 1 3 317.477 2.289 20 0 DEADHO Cc1ccc(F)c(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CCCN2C)c1 ZINC001393798161 1157993352 /nfs/dbraw/zinc/99/33/52/1157993352.db2.gz RCYPGRHISHYUBW-WMLDXEAASA-N 1 3 321.440 2.213 20 0 DEADHO C[N@H+](CCC(C)(C)C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001393887504 1158046975 /nfs/dbraw/zinc/04/69/75/1158046975.db2.gz WUKLWRYWHLLFFO-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO C[N@@H+](CCC(C)(C)C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001393887504 1158046985 /nfs/dbraw/zinc/04/69/85/1158046985.db2.gz WUKLWRYWHLLFFO-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001394304868 1158407851 /nfs/dbraw/zinc/40/78/51/1158407851.db2.gz XSGMPCWJVVFWDC-OSYLJGHBSA-N 1 3 321.509 2.201 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001394304868 1158407853 /nfs/dbraw/zinc/40/78/53/1158407853.db2.gz XSGMPCWJVVFWDC-OSYLJGHBSA-N 1 3 321.509 2.201 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001394375132 1158444719 /nfs/dbraw/zinc/44/47/19/1158444719.db2.gz IPZABXLJWCZNMX-BZUAXINKSA-N 1 3 311.514 2.495 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001375495971 1158769560 /nfs/dbraw/zinc/76/95/60/1158769560.db2.gz DVFQCOLBDHSRJM-POZMBQRDSA-N 1 3 313.873 2.098 20 0 DEADHO CC(C)(C(=O)NC[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1)N1CCCC1 ZINC001375501056 1158778073 /nfs/dbraw/zinc/77/80/73/1158778073.db2.gz GUIPFCURAOMAHR-YOQOKRQFSA-N 1 3 313.873 2.098 20 0 DEADHO C[NH+](C)Cc1ccc(C(=O)NCC2(NC/C=C/Cl)CC2)cc1 ZINC001375505580 1158780647 /nfs/dbraw/zinc/78/06/47/1158780647.db2.gz RGAAZETYXZKBLT-XCVCLJGOSA-N 1 3 321.852 2.353 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3)C2)C1 ZINC001375542484 1158807827 /nfs/dbraw/zinc/80/78/27/1158807827.db2.gz NZNSGGQVKYOPQJ-SZMVWBNQSA-N 1 3 315.461 2.013 20 0 DEADHO CC[C@@H](C(=O)NC1(C2CC[NH+](CCCF)CC2)CC1)N(C)C ZINC001394860007 1158816341 /nfs/dbraw/zinc/81/63/41/1158816341.db2.gz KGYHYHICBOZCDI-HNNXBMFYSA-N 1 3 313.461 2.047 20 0 DEADHO CC[NH2+]Cc1ccc(CNC(=O)C(C)(C)N2CCCC2)c(F)c1 ZINC001394865252 1158817839 /nfs/dbraw/zinc/81/78/39/1158817839.db2.gz CLTRQRRTQMQEMT-UHFFFAOYSA-N 1 3 321.440 2.426 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccsc2)C1)N(C)C ZINC001375575934 1158818306 /nfs/dbraw/zinc/81/83/06/1158818306.db2.gz YCCOARWVVGUZIG-IMJJTQAJSA-N 1 3 323.506 2.463 20 0 DEADHO CCCC[N@H+](C)C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001376281064 1159311746 /nfs/dbraw/zinc/31/17/46/1159311746.db2.gz IEELVABNNPNVSO-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001376281064 1159311756 /nfs/dbraw/zinc/31/17/56/1159311756.db2.gz IEELVABNNPNVSO-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](C[C@H](C)CC(C)C)C[C@@H]2C1 ZINC001376416251 1159395836 /nfs/dbraw/zinc/39/58/36/1159395836.db2.gz UVLRLQLZFIYRSQ-KURKYZTESA-N 1 3 323.525 2.401 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](C[C@H](C)CC(C)C)C[C@@H]2C1 ZINC001376416251 1159395841 /nfs/dbraw/zinc/39/58/41/1159395841.db2.gz UVLRLQLZFIYRSQ-KURKYZTESA-N 1 3 323.525 2.401 20 0 DEADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001403629022 1163061249 /nfs/dbraw/zinc/06/12/49/1163061249.db2.gz JKUWPGROWIINHR-WBVHZDCISA-N 1 3 305.466 2.272 20 0 DEADHO C[C@@H](N[C@@H](C)CNC(=O)C1CC[NH+](C)CC1)c1ccccc1F ZINC001376803545 1159806414 /nfs/dbraw/zinc/80/64/14/1159806414.db2.gz ATTBJQYHYQTSBK-UONOGXRCSA-N 1 3 321.440 2.323 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001376956792 1159856304 /nfs/dbraw/zinc/85/63/04/1159856304.db2.gz NDMGWIXXDPARRJ-OAHLLOKOSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001397091972 1159972821 /nfs/dbraw/zinc/97/28/21/1159972821.db2.gz LFSRMJRBTKGIEM-WOVMCDHWSA-N 1 3 321.440 2.150 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2CC[C@@H]([NH2+]C/C=C\Cl)C2)CCC1 ZINC001397159560 1160024056 /nfs/dbraw/zinc/02/40/56/1160024056.db2.gz PCJBWUSXXXJVKJ-WOHRWDJGSA-N 1 3 313.873 2.098 20 0 DEADHO CCCN(C)CC(=O)N1CCC(C)([NH2+]C/C=C\Cl)CC1 ZINC001377298896 1160163505 /nfs/dbraw/zinc/16/35/05/1160163505.db2.gz ALVAHDXEKVKWQG-YVMONPNESA-N 1 3 301.862 2.051 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2C)C1)N(C)C ZINC001377459495 1160387854 /nfs/dbraw/zinc/38/78/54/1160387854.db2.gz JSMHEWJPXNAQEK-WMZOPIPTSA-N 1 3 317.477 2.273 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2C)C1)N(C)C ZINC001377459495 1160387863 /nfs/dbraw/zinc/38/78/63/1160387863.db2.gz JSMHEWJPXNAQEK-WMZOPIPTSA-N 1 3 317.477 2.273 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccsc2)C1)N(C)C ZINC001377466688 1160395232 /nfs/dbraw/zinc/39/52/32/1160395232.db2.gz IIPWDYNPQRBJLB-HIFRSBDPSA-N 1 3 309.479 2.026 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccsc2)C1)N(C)C ZINC001377466688 1160395236 /nfs/dbraw/zinc/39/52/36/1160395236.db2.gz IIPWDYNPQRBJLB-HIFRSBDPSA-N 1 3 309.479 2.026 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@H](C)NC/C(Cl)=C/Cl)[NH+](C)C ZINC001377513396 1160455060 /nfs/dbraw/zinc/45/50/60/1160455060.db2.gz MCDLFYSFYTUUET-LXSPXAAKSA-N 1 3 324.296 2.376 20 0 DEADHO CC[C@H](C(=O)NC1CC(C[NH2+]Cc2ccccc2C)C1)N(C)C ZINC001377715284 1160777396 /nfs/dbraw/zinc/77/73/96/1160777396.db2.gz LCTOIWDCLHUFCO-VMWRSERWSA-N 1 3 317.477 2.320 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)N2CCCC2)C1 ZINC001398252091 1160836235 /nfs/dbraw/zinc/83/62/35/1160836235.db2.gz IWOPKFZNEOXZLG-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)N2CCCC2)C1 ZINC001398252091 1160836238 /nfs/dbraw/zinc/83/62/38/1160836238.db2.gz IWOPKFZNEOXZLG-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO Cc1cccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001377827599 1160840744 /nfs/dbraw/zinc/84/07/44/1160840744.db2.gz PKNLWCMQQQYDLB-HOTGVXAUSA-N 1 3 317.477 2.462 20 0 DEADHO CC(C)CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001398317568 1160854789 /nfs/dbraw/zinc/85/47/89/1160854789.db2.gz WERWYYJWQKDKEG-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001398317568 1160854791 /nfs/dbraw/zinc/85/47/91/1160854791.db2.gz WERWYYJWQKDKEG-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)NC[C@H]([NH2+]Cc1ccccc1C)C1CC1)N(C)C ZINC001398394046 1160875431 /nfs/dbraw/zinc/87/54/31/1160875431.db2.gz LQCUEWHUYQLIOE-ZWKOTPCHSA-N 1 3 317.477 2.320 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2Cl)C1)N(C)C ZINC001398536663 1160955057 /nfs/dbraw/zinc/95/50/57/1160955057.db2.gz MNYJUVVIGOEBAY-IIAWOOMASA-N 1 3 323.868 2.417 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC001398564441 1160981727 /nfs/dbraw/zinc/98/17/27/1160981727.db2.gz UKXDBXPWYHNPKI-QEJZJMRPSA-N 1 3 306.454 2.180 20 0 DEADHO Cc1cc(F)ccc1C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001399100117 1161231293 /nfs/dbraw/zinc/23/12/93/1161231293.db2.gz LZLSCSZQOUPNRX-YOEHRIQHSA-N 1 3 323.456 2.315 20 0 DEADHO COc1cccc([C@H](C)[NH2+][C@@H](C)CNC(=O)CN(C)C(C)C)c1 ZINC001399167478 1161266406 /nfs/dbraw/zinc/26/64/06/1161266406.db2.gz PPNBUAFKYAMAHL-GJZGRUSLSA-N 1 3 321.465 2.191 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@@H](C)NC/C(Cl)=C/Cl)[NH+](C)C ZINC001399418494 1161385187 /nfs/dbraw/zinc/38/51/87/1161385187.db2.gz MCDLFYSFYTUUET-KCWVNHISSA-N 1 3 324.296 2.376 20 0 DEADHO C[N@H+](CCC(=O)NCC1CN(CCCF)C1)C1CCCCC1 ZINC001400530727 1161763777 /nfs/dbraw/zinc/76/37/77/1161763777.db2.gz UZJKHNIOONCINX-UHFFFAOYSA-N 1 3 313.461 2.049 20 0 DEADHO C[N@@H+](CCC(=O)NCC1CN(CCCF)C1)C1CCCCC1 ZINC001400530727 1161763780 /nfs/dbraw/zinc/76/37/80/1161763780.db2.gz UZJKHNIOONCINX-UHFFFAOYSA-N 1 3 313.461 2.049 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1C[NH+](CCC(C)(C)C)C1 ZINC001400573335 1161774471 /nfs/dbraw/zinc/77/44/71/1161774471.db2.gz MAWLZXFZPMZAAM-HUUCEWRRSA-N 1 3 309.498 2.343 20 0 DEADHO CN(CC(=O)N1CCC(CC[N@H+](C)CC2CC2)CC1)C1CCC1 ZINC001401307559 1161923141 /nfs/dbraw/zinc/92/31/41/1161923141.db2.gz XOGNZKHAVXJMHA-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CN(CC(=O)N1CCC(CC[N@@H+](C)CC2CC2)CC1)C1CCC1 ZINC001401307559 1161923144 /nfs/dbraw/zinc/92/31/44/1161923144.db2.gz XOGNZKHAVXJMHA-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO Cc1ccc(C[N@@H+](C)CCN(C)C(=O)[C@@H]2CCCCN2C)cc1 ZINC001401391794 1161970299 /nfs/dbraw/zinc/97/02/99/1161970299.db2.gz UVMQEEYWWIAHDI-SFHVURJKSA-N 1 3 317.477 2.370 20 0 DEADHO Cc1ccc(C[N@H+](C)CCN(C)C(=O)[C@@H]2CCCCN2C)cc1 ZINC001401391794 1161970303 /nfs/dbraw/zinc/97/03/03/1161970303.db2.gz UVMQEEYWWIAHDI-SFHVURJKSA-N 1 3 317.477 2.370 20 0 DEADHO CN(CC[N@H+](C)CCC1CCCCC1)C(=O)CN1CCCC1 ZINC001401440200 1161995483 /nfs/dbraw/zinc/99/54/83/1161995483.db2.gz QYIVLBSRWBAKAG-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC1CCCC1 ZINC001401607537 1162044393 /nfs/dbraw/zinc/04/43/93/1162044393.db2.gz JCKHWLTYXXIDTM-IRXDYDNUSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H](C[NH2+][C@@H]1CCc2ccccc21)NC(=O)CN(C)C1CCC1 ZINC001401623697 1162049756 /nfs/dbraw/zinc/04/97/56/1162049756.db2.gz CEUWODMWJJFVOZ-RDTXWAMCSA-N 1 3 315.461 2.253 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@H](C)c1ccccc1F ZINC001401658726 1162062855 /nfs/dbraw/zinc/06/28/55/1162062855.db2.gz FORNMYVMQURKSA-ZIAGYGMSSA-N 1 3 309.429 2.323 20 0 DEADHO CCc1cccc(C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001401688785 1162076748 /nfs/dbraw/zinc/07/67/48/1162076748.db2.gz WIHPJPWFVWZEQJ-YJBOKZPZSA-N 1 3 319.493 2.430 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(F)cc1C)N(C)C ZINC001401768630 1162119423 /nfs/dbraw/zinc/11/94/23/1162119423.db2.gz YQEWXAFBCMKNJG-WMLDXEAASA-N 1 3 323.456 2.411 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(F)cc1C)N(C)C ZINC001401768630 1162119426 /nfs/dbraw/zinc/11/94/26/1162119426.db2.gz YQEWXAFBCMKNJG-WMLDXEAASA-N 1 3 323.456 2.411 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+]1CC1CC(C)(C)C1)N(C)C ZINC001401936443 1162188719 /nfs/dbraw/zinc/18/87/19/1162188719.db2.gz MMFUCOREOWIBTE-HZPDHXFCSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+]1CC1CC(C)(C)C1)N(C)C ZINC001401936443 1162188725 /nfs/dbraw/zinc/18/87/25/1162188725.db2.gz MMFUCOREOWIBTE-HZPDHXFCSA-N 1 3 309.498 2.199 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C1CC[NH+](CC[C@H](C)F)CC1)N(C)C ZINC001403982711 1163350919 /nfs/dbraw/zinc/35/09/19/1163350919.db2.gz HBQVHKHJGXTTQY-OFQRWUPVSA-N 1 3 315.477 2.291 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CCc2cccs2)C1)N(C)C ZINC001404075887 1163420433 /nfs/dbraw/zinc/42/04/33/1163420433.db2.gz ICVFGGCDKRNDEH-ZBFHGGJFSA-N 1 3 323.506 2.069 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCc2cccs2)C1)N(C)C ZINC001404075887 1163420440 /nfs/dbraw/zinc/42/04/40/1163420440.db2.gz ICVFGGCDKRNDEH-ZBFHGGJFSA-N 1 3 323.506 2.069 20 0 DEADHO CC(C)[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccccc1 ZINC001406051495 1164408800 /nfs/dbraw/zinc/40/88/00/1164408800.db2.gz XDXHEJAIIIFQNM-SJLPKXTDSA-N 1 3 317.477 2.259 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001406418237 1164583075 /nfs/dbraw/zinc/58/30/75/1164583075.db2.gz BIKBAMAZOBZOGW-KGLIPLIRSA-N 1 3 319.440 2.248 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(C)cc1C ZINC001406541864 1164666966 /nfs/dbraw/zinc/66/69/66/1164666966.db2.gz BIRNMOSQWMWLEI-INIZCTEOSA-N 1 3 305.466 2.240 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC(C)C ZINC001406721744 1164807711 /nfs/dbraw/zinc/80/77/11/1164807711.db2.gz SYEOWWWSKRVKNZ-LSDHHAIUSA-N 1 3 306.454 2.181 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[N@H+](C)C/C=C\c1ccccc1 ZINC001406732522 1164810227 /nfs/dbraw/zinc/81/02/27/1164810227.db2.gz YQDNPLGNMZJXAH-QJWNTBNXSA-N 1 3 317.477 2.477 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[N@@H+](C)C/C=C\c1ccccc1 ZINC001406732522 1164810229 /nfs/dbraw/zinc/81/02/29/1164810229.db2.gz YQDNPLGNMZJXAH-QJWNTBNXSA-N 1 3 317.477 2.477 20 0 DEADHO C[NH+](C)CC1(C(=O)NC[C@@H]2CCN2CC2CCC2)CCCCC1 ZINC001406854987 1164854730 /nfs/dbraw/zinc/85/47/30/1164854730.db2.gz OIXVBEOSKAGTET-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC(C)C2)C1 ZINC001417814058 1167231124 /nfs/dbraw/zinc/23/11/24/1167231124.db2.gz QIWIFHKBDZIWSJ-OMFOHFGMSA-N 1 3 318.465 2.181 20 0 DEADHO C[C@@H]1CN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCN(C2CC2)C1 ZINC001417883747 1167281172 /nfs/dbraw/zinc/28/11/72/1167281172.db2.gz MFKYPJRMIKISLJ-ZOBUZTSGSA-N 1 3 307.482 2.050 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC12CC[NH+](C[C@H](F)CC)CC2 ZINC001417957278 1167326749 /nfs/dbraw/zinc/32/67/49/1167326749.db2.gz ROZQEVJQHXITAQ-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](C(=O)NC[C@H]([NH2+]Cc1ccccc1)C1CC1)N(C)C ZINC001417984672 1167345198 /nfs/dbraw/zinc/34/51/98/1167345198.db2.gz OSGQRLZIFSJWQD-DLBZAZTESA-N 1 3 303.450 2.011 20 0 DEADHO CC[C@@H](C)C[NH2+][C@@H](CNC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001417991109 1167349309 /nfs/dbraw/zinc/34/93/09/1167349309.db2.gz JRTDEZPQOJAQLS-ZBFHGGJFSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]([NH2+]CC1CC2(CCC2)C1)C1CC1 ZINC001418013413 1167361598 /nfs/dbraw/zinc/36/15/98/1167361598.db2.gz SGHZFVLLLJPNGZ-QGZVFWFLSA-N 1 3 321.509 2.391 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC001418112728 1167417912 /nfs/dbraw/zinc/41/79/12/1167417912.db2.gz HWTNFNSVZLHMJA-KFWWJZLASA-N 1 3 321.440 2.464 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCC1CC1)N(C)C ZINC001418166435 1167455082 /nfs/dbraw/zinc/45/50/82/1167455082.db2.gz WFUPGEPVSLRPHV-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1CCC1CC1)N(C)C ZINC001418166435 1167455087 /nfs/dbraw/zinc/45/50/87/1167455087.db2.gz WFUPGEPVSLRPHV-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC1CC2(CCC2)C1 ZINC001418277850 1167542695 /nfs/dbraw/zinc/54/26/95/1167542695.db2.gz YPUBBJHXGHKPGK-HUUCEWRRSA-N 1 3 307.482 2.003 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+][C@H](C)CNC(=O)CN(C)C(C)C)c1 ZINC001418319500 1167572894 /nfs/dbraw/zinc/57/28/94/1167572894.db2.gz RNZJQICCKJCILT-HZPDHXFCSA-N 1 3 305.466 2.491 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001418424118 1167645485 /nfs/dbraw/zinc/64/54/85/1167645485.db2.gz VPSUXLPGXGNDQX-TZMCWYRMSA-N 1 3 319.440 2.102 20 0 DEADHO CC[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]C/C=C\Cl)C1)N(C)C ZINC001418788558 1167962077 /nfs/dbraw/zinc/96/20/77/1167962077.db2.gz HKEMCGAYYKLMOP-WVYYZCOMSA-N 1 3 315.889 2.440 20 0 DEADHO CCC[NH2+][C@H](CNC(=O)[C@@H](C(C)C)N(C)C)c1ccccc1 ZINC001418849474 1168008392 /nfs/dbraw/zinc/00/83/92/1168008392.db2.gz FMXFYWZFSQRBDN-IAGOWNOFSA-N 1 3 305.466 2.430 20 0 DEADHO CN(CC(=O)NCC[C@H]1CC[N@H+](CCCF)C1)CC(C)(C)C ZINC001418909890 1168060813 /nfs/dbraw/zinc/06/08/13/1168060813.db2.gz VHGUMCAUYAOVIN-HNNXBMFYSA-N 1 3 315.477 2.152 20 0 DEADHO CC[C@@H](F)C[NH2+][C@@H](CC)CNC(=O)C(C)(C)N1CCCC1 ZINC001419224377 1168326980 /nfs/dbraw/zinc/32/69/80/1168326980.db2.gz PCDXJMPLIVAVFE-KGLIPLIRSA-N 1 3 301.450 2.093 20 0 DEADHO CC[C@H](CNC(=O)CC[NH+](C)C)NCc1cc2ccccc2o1 ZINC001419224584 1168327330 /nfs/dbraw/zinc/32/73/30/1168327330.db2.gz RNUSRZDFZHVECS-OAHLLOKOSA-N 1 3 317.433 2.369 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccns2)CC1 ZINC001419379658 1168432425 /nfs/dbraw/zinc/43/24/25/1168432425.db2.gz ZHDNRUWXLZSUSW-HDJSIYSDSA-N 1 3 324.494 2.002 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001419631992 1168711454 /nfs/dbraw/zinc/71/14/54/1168711454.db2.gz OONZIFBBLDCRJR-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001419631992 1168711467 /nfs/dbraw/zinc/71/14/67/1168711467.db2.gz OONZIFBBLDCRJR-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](C[NH2+]CC1CCC(C)CC1)N(C)C(=O)Cc1c[nH]cn1 ZINC001419718524 1168818500 /nfs/dbraw/zinc/81/85/00/1168818500.db2.gz BAPGFBJUWWECHI-SLTAFYQDSA-N 1 3 306.454 2.215 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](C)[C@@H](C)c1ccccc1C)N(C)C ZINC001420302247 1169336603 /nfs/dbraw/zinc/33/66/03/1169336603.db2.gz WTJVHNOKTZKREH-RDJZCZTQSA-N 1 3 305.466 2.444 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](C)[C@@H](C)c1ccccc1C)N(C)C ZINC001420302247 1169336609 /nfs/dbraw/zinc/33/66/09/1169336609.db2.gz WTJVHNOKTZKREH-RDJZCZTQSA-N 1 3 305.466 2.444 20 0 DEADHO CCC[N@H+](CCNC(=O)C1(N(C)C)CCC1)CC1CC(C)C1 ZINC001420591501 1169817276 /nfs/dbraw/zinc/81/72/76/1169817276.db2.gz MARNJILOWCLMMM-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CCC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)CC1CC(C)C1 ZINC001420591501 1169817277 /nfs/dbraw/zinc/81/72/77/1169817277.db2.gz MARNJILOWCLMMM-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CN(C)C1(C(=O)NCC[C@@H]2CC[N@H+](CC3CCCC3)C2)CCC1 ZINC001420864146 1171294666 /nfs/dbraw/zinc/29/46/66/1171294666.db2.gz WKAQEDKWXUGNGX-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CN(C)C1(C(=O)NCC[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCC1 ZINC001420864146 1171294673 /nfs/dbraw/zinc/29/46/73/1171294673.db2.gz WKAQEDKWXUGNGX-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2cc(F)ccc2C)CC1)N(C)C ZINC001420972193 1171392272 /nfs/dbraw/zinc/39/22/72/1171392272.db2.gz VPTLHJUPRVZGIR-INIZCTEOSA-N 1 3 321.440 2.213 20 0 DEADHO O=C(CCC[NH+]1CCCC1)NCC1(NCc2ccsc2)CC1 ZINC001421004442 1171422958 /nfs/dbraw/zinc/42/29/58/1171422958.db2.gz JUGNOEGJRRLDOW-UHFFFAOYSA-N 1 3 321.490 2.363 20 0 DEADHO CCN(C(=O)CC[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001421370478 1171748712 /nfs/dbraw/zinc/74/87/12/1171748712.db2.gz NPCWOWHBMBJKQT-KRWDZBQOSA-N 1 3 303.450 2.061 20 0 DEADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1cc(C)ccc1F ZINC001421483319 1171817711 /nfs/dbraw/zinc/81/77/11/1171817711.db2.gz AOZQIEIZXIKMBN-GDBMZVCRSA-N 1 3 321.440 2.070 20 0 DEADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1cc(C)ccc1F ZINC001421483319 1171817714 /nfs/dbraw/zinc/81/77/14/1171817714.db2.gz AOZQIEIZXIKMBN-GDBMZVCRSA-N 1 3 321.440 2.070 20 0 DEADHO CC[NH2+][C@H](CNC(=O)CN1CC[C@@H](C)C1)c1ccccc1CC ZINC001421523393 1171833204 /nfs/dbraw/zinc/83/32/04/1171833204.db2.gz IGLKAWRPFKHMNI-CRAIPNDOSA-N 1 3 317.477 2.358 20 0 DEADHO CC[NH2+][C@@H](CNC(=O)CN1CC[C@@H](C)C1)c1ccccc1CC ZINC001421523398 1171833418 /nfs/dbraw/zinc/83/34/18/1171833418.db2.gz IGLKAWRPFKHMNI-QAPCUYQASA-N 1 3 317.477 2.358 20 0 DEADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2C1)CC(C)(C)C ZINC001421575707 1171855098 /nfs/dbraw/zinc/85/50/98/1171855098.db2.gz XYZZQQUUAGAABE-CALCHBBNSA-N 1 3 321.509 2.155 20 0 DEADHO CN(CC(=O)N1C[C@@H]2C[N@H+](CC3CCC3)C[C@@H]2C1)CC(C)(C)C ZINC001421575707 1171855101 /nfs/dbraw/zinc/85/51/01/1171855101.db2.gz XYZZQQUUAGAABE-CALCHBBNSA-N 1 3 321.509 2.155 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001421760561 1171971451 /nfs/dbraw/zinc/97/14/51/1171971451.db2.gz RLESJQMWLXSDKO-DYVFJYSZSA-N 1 3 323.456 2.316 20 0 DEADHO C[C@H](C[NH2+]CC1CCC(C)CC1)N(C)C(=O)CN1CCCC1 ZINC001421988030 1172211528 /nfs/dbraw/zinc/21/15/28/1172211528.db2.gz GGBDZIXEMJECKP-AQFXKWCLSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1cc(CN2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]2C)cs1 ZINC001422125722 1172323607 /nfs/dbraw/zinc/32/36/07/1172323607.db2.gz LBMDKBGCWOBJEA-CZUORRHYSA-N 1 3 323.506 2.477 20 0 DEADHO CN(CCN(C)C(=O)C(C)(C)[NH+]1CCCC1)Cc1ccccc1 ZINC001422182910 1172378554 /nfs/dbraw/zinc/37/85/54/1172378554.db2.gz PONJASPZSGGLDS-UHFFFAOYSA-N 1 3 317.477 2.451 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001422244954 1172433580 /nfs/dbraw/zinc/43/35/80/1172433580.db2.gz PJPNEJGHKDXDIL-QZTJIDSGSA-N 1 3 321.509 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001422244954 1172433584 /nfs/dbraw/zinc/43/35/84/1172433584.db2.gz PJPNEJGHKDXDIL-QZTJIDSGSA-N 1 3 321.509 2.299 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCc2c1cccc2F)N(C)C ZINC001422512485 1172666227 /nfs/dbraw/zinc/66/62/27/1172666227.db2.gz DOIXKDBSDHGUBZ-OAUYIBNBSA-N 1 3 321.440 2.248 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(C)c(C)c1 ZINC001422587855 1172735862 /nfs/dbraw/zinc/73/58/62/1172735862.db2.gz ZGUBSWAVCIKLJG-MRXNPFEDSA-N 1 3 305.466 2.240 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001422618070 1172767044 /nfs/dbraw/zinc/76/70/44/1172767044.db2.gz LULHRBOFQFITLG-CQSZACIVSA-N 1 3 309.429 2.069 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccccc1 ZINC001422619124 1172768196 /nfs/dbraw/zinc/76/81/96/1172768196.db2.gz UDCOTEXDQWTNTD-WBVHZDCISA-N 1 3 303.450 2.155 20 0 DEADHO C[C@@H](CN(C)[C@@H](C)c1cccc(F)c1)NC(=O)CC[NH+](C)C ZINC001422884454 1172896123 /nfs/dbraw/zinc/89/61/23/1172896123.db2.gz KMGFRZNGKKLQTK-KBPBESRZSA-N 1 3 309.429 2.275 20 0 DEADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)NCc1cc(C)ccc1F ZINC001423147210 1173117336 /nfs/dbraw/zinc/11/73/36/1173117336.db2.gz MDRSYZSENXROSH-OAHLLOKOSA-N 1 3 323.456 2.412 20 0 DEADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)NCc1cc(C)ccc1F ZINC001423147210 1173117345 /nfs/dbraw/zinc/11/73/45/1173117345.db2.gz MDRSYZSENXROSH-OAHLLOKOSA-N 1 3 323.456 2.412 20 0 DEADHO CC(C)C[NH2+][C@H](C)CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001423173810 1173142507 /nfs/dbraw/zinc/14/25/07/1173142507.db2.gz RIMBBNVQSVBCGH-OAHLLOKOSA-N 1 3 305.466 2.454 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2cc(C)cc(C)c2)CC1)N(C)C ZINC001423281850 1173203639 /nfs/dbraw/zinc/20/36/39/1173203639.db2.gz SPPHTVKLPCRNDX-KRWDZBQOSA-N 1 3 317.477 2.382 20 0 DEADHO CN1CCCC[C@@H]1C[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001423480174 1173367168 /nfs/dbraw/zinc/36/71/68/1173367168.db2.gz GGESSRHNAWNALK-LXPRWKDFSA-N 1 3 309.498 2.094 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(C/C=C\Cl)CC1 ZINC001424255478 1173717142 /nfs/dbraw/zinc/71/71/42/1173717142.db2.gz CGKPKHMVCCGUJW-VYLZPFMQSA-N 1 3 301.862 2.051 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC(C)([NH2+]C/C=C\Cl)CC1)N(C)C ZINC001424477047 1173803538 /nfs/dbraw/zinc/80/35/38/1173803538.db2.gz SPPLMRBLQPGATG-PIZKADEWSA-N 1 3 315.889 2.296 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C)c(F)c1 ZINC001424853516 1173990113 /nfs/dbraw/zinc/99/01/13/1173990113.db2.gz UXPZBODCYRAMAP-GJZGRUSLSA-N 1 3 323.456 2.459 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001424861166 1173996427 /nfs/dbraw/zinc/99/64/27/1173996427.db2.gz TYGITRUQUBXBLZ-GJZGRUSLSA-N 1 3 323.456 2.479 20 0 DEADHO CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001424880817 1174007353 /nfs/dbraw/zinc/00/73/53/1174007353.db2.gz BUAITEPCEJYKJS-QGZVFWFLSA-N 1 3 315.477 2.293 20 0 DEADHO CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)CCC)C[C@@]2(C)C1 ZINC001425376633 1174300950 /nfs/dbraw/zinc/30/09/50/1174300950.db2.gz JVGVVCFYCSYVAG-HDICACEKSA-N 1 3 309.498 2.299 20 0 DEADHO CCCC[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)CCC)C[C@@]2(C)C1 ZINC001425376633 1174300958 /nfs/dbraw/zinc/30/09/58/1174300958.db2.gz JVGVVCFYCSYVAG-HDICACEKSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)cc2)C[C@H]1C ZINC001425896087 1174503563 /nfs/dbraw/zinc/50/35/63/1174503563.db2.gz UCJIJWWXCMGMKP-PBHICJAKSA-N 1 3 321.440 2.245 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCC2CCCC2)C[C@@H]1C ZINC001425911497 1174509971 /nfs/dbraw/zinc/50/99/71/1174509971.db2.gz KKNYVOLEQHKTST-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCN(C)C2(CCCCC2)C1 ZINC001434007647 1178134345 /nfs/dbraw/zinc/13/43/45/1178134345.db2.gz WZCMHRLESLSNPW-HZPDHXFCSA-N 1 3 307.482 2.336 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H]3CCC[C@]4(CCOC4)O3)CC[C@@H]21 ZINC001434460969 1178598190 /nfs/dbraw/zinc/59/81/90/1178598190.db2.gz WLOWCJUSMHBVOF-VSZNYVQBSA-N 1 3 308.466 2.131 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C[C@@H]3CCC[C@]4(CCOC4)O3)CC[C@@H]21 ZINC001434460969 1178598198 /nfs/dbraw/zinc/59/81/98/1178598198.db2.gz WLOWCJUSMHBVOF-VSZNYVQBSA-N 1 3 308.466 2.131 20 0 DEADHO COC(=O)C1(c2ccc(C[N@@H+]3CC[C@H](CN(C)C)C3)cc2)CC1 ZINC001434469679 1178616220 /nfs/dbraw/zinc/61/62/20/1178616220.db2.gz XKKSPDHDBZGGOJ-MRXNPFEDSA-N 1 3 316.445 2.275 20 0 DEADHO COC(=O)C1(c2ccc(C[N@H+]3CC[C@H](CN(C)C)C3)cc2)CC1 ZINC001434469679 1178616234 /nfs/dbraw/zinc/61/62/34/1178616234.db2.gz XKKSPDHDBZGGOJ-MRXNPFEDSA-N 1 3 316.445 2.275 20 0 DEADHO Cc1n[nH]c(C)c1CNCc1ccc(OCC[NH+](C)C)cc1 ZINC001434501919 1178686728 /nfs/dbraw/zinc/68/67/28/1178686728.db2.gz XWEINLFSGCUTBV-UHFFFAOYSA-N 1 3 302.422 2.257 20 0 DEADHO OC1(C[NH+]2CCCCC2)CCN(C[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC001434502735 1178690227 /nfs/dbraw/zinc/69/02/27/1178690227.db2.gz AKFDTFLQWWNNDF-ZWKOTPCHSA-N 1 3 322.493 2.257 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+]C[C@H]2CCCC[C@@H]2O)CC1 ZINC001434529618 1178782358 /nfs/dbraw/zinc/78/23/58/1178782358.db2.gz HCLAZWYPENOSCI-ZLZJIPBDSA-N 1 3 310.482 2.161 20 0 DEADHO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001434536658 1178800974 /nfs/dbraw/zinc/80/09/74/1178800974.db2.gz NIFHXDKLDUYJRW-NIPBAFKLSA-N 1 3 310.482 2.421 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H](F)CC)C1 ZINC001436345842 1179055505 /nfs/dbraw/zinc/05/55/05/1179055505.db2.gz OARQOBOQAOLNJI-CAOSSQGBSA-N 1 3 313.461 2.093 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C/C=C/Cl)C1 ZINC001436383379 1179071815 /nfs/dbraw/zinc/07/18/15/1179071815.db2.gz DVFQCOLBDHSRJM-KDKXTZIQSA-N 1 3 313.873 2.098 20 0 DEADHO CC(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001436386673 1179073582 /nfs/dbraw/zinc/07/35/82/1179073582.db2.gz OZDPQRCTUYNMFM-BRWVUGGUSA-N 1 3 309.498 2.390 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@@H](NCC=C(Cl)Cl)C1 ZINC001436407135 1179083094 /nfs/dbraw/zinc/08/30/94/1179083094.db2.gz MCXOJWKPOCQCDU-TXEJJXNPSA-N 1 3 322.280 2.132 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H](NCC=C(Cl)Cl)C1 ZINC001436407135 1179083085 /nfs/dbraw/zinc/08/30/85/1179083085.db2.gz MCXOJWKPOCQCDU-TXEJJXNPSA-N 1 3 322.280 2.132 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]2C[N@H+](CCC3CC3)CC[C@@H]21 ZINC001436939091 1179310617 /nfs/dbraw/zinc/31/06/17/1179310617.db2.gz AGVUUYDINKFJQK-MSOLQXFVSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]2C[N@@H+](CCC3CC3)CC[C@@H]21 ZINC001436939091 1179310623 /nfs/dbraw/zinc/31/06/23/1179310623.db2.gz AGVUUYDINKFJQK-MSOLQXFVSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[NH2+]CC2CC(C)C2)C1 ZINC001437036718 1179367602 /nfs/dbraw/zinc/36/76/02/1179367602.db2.gz RYJCSXKUGXTBLZ-CGZBRXJRSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(CF)cc1 ZINC001437144226 1179482398 /nfs/dbraw/zinc/48/23/98/1179482398.db2.gz JDIUGHULCKTCOG-AWEZNQCLSA-N 1 3 321.440 2.235 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCc1ccccc1F ZINC001437150321 1179488932 /nfs/dbraw/zinc/48/89/32/1179488932.db2.gz GHHWCDVXFIKVKO-YOEHRIQHSA-N 1 3 321.440 2.294 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCc1ccccc1F ZINC001437150321 1179488941 /nfs/dbraw/zinc/48/89/41/1179488941.db2.gz GHHWCDVXFIKVKO-YOEHRIQHSA-N 1 3 321.440 2.294 20 0 DEADHO CC(C)CC[N@H+](C)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001437339725 1179740941 /nfs/dbraw/zinc/74/09/41/1179740941.db2.gz WUZXDZJDYJSMBR-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001437339725 1179740945 /nfs/dbraw/zinc/74/09/45/1179740945.db2.gz WUZXDZJDYJSMBR-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CN(CC(=O)N[C@@H]1CCC[C@@H]([NH2+]C/C=C/Cl)C1)C1CCC1 ZINC001437342528 1179744438 /nfs/dbraw/zinc/74/44/38/1179744438.db2.gz YPOBZSTVOKJOLM-SYVBBQGSSA-N 1 3 313.873 2.240 20 0 DEADHO CN(CC(=O)NCC[N@H+](C)[C@H]1CCc2ccccc21)C1CCC1 ZINC001437469879 1179815658 /nfs/dbraw/zinc/81/56/58/1179815658.db2.gz AMCBBNHVBYOLLU-SFHVURJKSA-N 1 3 315.461 2.206 20 0 DEADHO CN(CC(=O)NCC[N@@H+](C)[C@H]1CCc2ccccc21)C1CCC1 ZINC001437469879 1179815661 /nfs/dbraw/zinc/81/56/61/1179815661.db2.gz AMCBBNHVBYOLLU-SFHVURJKSA-N 1 3 315.461 2.206 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](C)[C@@H](C)c1ccccc1C)N(C)C ZINC001437487702 1179820597 /nfs/dbraw/zinc/82/05/97/1179820597.db2.gz WTJVHNOKTZKREH-DOTOQJQBSA-N 1 3 305.466 2.444 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](C)[C@@H](C)c1ccccc1C)N(C)C ZINC001437487702 1179820598 /nfs/dbraw/zinc/82/05/98/1179820598.db2.gz WTJVHNOKTZKREH-DOTOQJQBSA-N 1 3 305.466 2.444 20 0 DEADHO C[NH+](C)CCCC(=O)NCC1CN([C@H]2CCc3ccccc32)C1 ZINC001438134926 1180211813 /nfs/dbraw/zinc/21/18/13/1180211813.db2.gz QEWCKCWBPSTIDJ-SFHVURJKSA-N 1 3 315.461 2.064 20 0 DEADHO CC[C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)NCCF ZINC001438336821 1180353868 /nfs/dbraw/zinc/35/38/68/1180353868.db2.gz WSXGRCQMOHOKPM-CYBMUJFWSA-N 1 3 301.450 2.093 20 0 DEADHO CC[C@H](CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)NCCF ZINC001438336821 1180353876 /nfs/dbraw/zinc/35/38/76/1180353876.db2.gz WSXGRCQMOHOKPM-CYBMUJFWSA-N 1 3 301.450 2.093 20 0 DEADHO CC[C@@H](CNC(=O)[C@H]1CCCCN1CC)[NH2+]Cc1cncs1 ZINC001438373066 1180377094 /nfs/dbraw/zinc/37/70/94/1180377094.db2.gz JZSJEJXFVGMWEG-DZGCQCFKSA-N 1 3 324.494 2.002 20 0 DEADHO C[NH+](C)CCC(=O)N[C@@](C)(CNCc1ccccc1F)C1CC1 ZINC001438422407 1180408700 /nfs/dbraw/zinc/40/87/00/1180408700.db2.gz RPCZDFANZIZIIG-SFHVURJKSA-N 1 3 321.440 2.152 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)NCC2(NCCF)CCCC2)C1 ZINC001438597175 1180644577 /nfs/dbraw/zinc/64/45/77/1180644577.db2.gz BUEMHUNJJWTYJD-HNNXBMFYSA-N 1 3 313.461 2.097 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)NCC2(NCCF)CCCC2)C1 ZINC001438597175 1180644602 /nfs/dbraw/zinc/64/46/02/1180644602.db2.gz BUEMHUNJJWTYJD-HNNXBMFYSA-N 1 3 313.461 2.097 20 0 DEADHO Cc1cccc(C)c1C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001438866176 1180835892 /nfs/dbraw/zinc/83/58/92/1180835892.db2.gz ZMECGEOAWSSWOI-SFHVURJKSA-N 1 3 317.477 2.288 20 0 DEADHO Cc1cccc(C)c1C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001438866176 1180835893 /nfs/dbraw/zinc/83/58/93/1180835893.db2.gz ZMECGEOAWSSWOI-SFHVURJKSA-N 1 3 317.477 2.288 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1C ZINC001439396642 1181070532 /nfs/dbraw/zinc/07/05/32/1181070532.db2.gz AYDONXXXGUAKBZ-MRXNPFEDSA-N 1 3 305.466 2.273 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1C ZINC001439396642 1181070539 /nfs/dbraw/zinc/07/05/39/1181070539.db2.gz AYDONXXXGUAKBZ-MRXNPFEDSA-N 1 3 305.466 2.273 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]CCC(F)(F)F)CC1 ZINC001439612759 1181170459 /nfs/dbraw/zinc/17/04/59/1181170459.db2.gz QSCOLJCSNZJRSQ-GFCCVEGCSA-N 1 3 321.387 2.052 20 0 DEADHO CN(CC(=O)NCC1([NH2+]CCC2CCCC2)CC1)C1CCC1 ZINC001439623938 1181173653 /nfs/dbraw/zinc/17/36/53/1181173653.db2.gz VVVJXKTZMPLJBH-UHFFFAOYSA-N 1 3 307.482 2.289 20 0 DEADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC(C)C ZINC001439697899 1181203799 /nfs/dbraw/zinc/20/37/99/1181203799.db2.gz FXBGYKLITKXAPK-CALCHBBNSA-N 1 3 309.498 2.440 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC(C)C ZINC001439697899 1181203808 /nfs/dbraw/zinc/20/38/08/1181203808.db2.gz FXBGYKLITKXAPK-CALCHBBNSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H](F)CC[NH+]1CCC(C)(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001439802989 1181240893 /nfs/dbraw/zinc/24/08/93/1181240893.db2.gz RCFGSPWCDAXZKQ-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CN(CC)CCC1(F)F)[NH+](CC)CC ZINC001439964676 1181328638 /nfs/dbraw/zinc/32/86/38/1181328638.db2.gz BQBDCCHROHDLAZ-KGLIPLIRSA-N 1 3 319.440 2.200 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)C[C@@H]2CC[N@@H+]2CCCC2CCC2)C1 ZINC001440241507 1181399213 /nfs/dbraw/zinc/39/92/13/1181399213.db2.gz JPBSCVUFXLJAFU-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)C[C@@H]2CC[N@H+]2CCCC2CCC2)C1 ZINC001440241507 1181399219 /nfs/dbraw/zinc/39/92/19/1181399219.db2.gz JPBSCVUFXLJAFU-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001440334040 1181453116 /nfs/dbraw/zinc/45/31/16/1181453116.db2.gz LQMNAHURDVVEPX-KLHDSHLOSA-N 1 3 313.461 2.092 20 0 DEADHO O=C(CC[NH+]1CCCCC1)NCC1(NC/C=C/Cl)CCC1 ZINC001440359299 1181464417 /nfs/dbraw/zinc/46/44/17/1181464417.db2.gz ZDCHKXKFAKMXRC-WEVVVXLNSA-N 1 3 313.873 2.243 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC001440850637 1181728142 /nfs/dbraw/zinc/72/81/42/1181728142.db2.gz DXTMCAQBBYKWBL-KBPBESRZSA-N 1 3 309.429 2.149 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H](CN(C)CCF)C1)[NH+](CC)CC ZINC001441311164 1181940946 /nfs/dbraw/zinc/94/09/46/1181940946.db2.gz XJMGWIYRVDXCBO-HZPDHXFCSA-N 1 3 315.477 2.247 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CC(C)C)C1CC1 ZINC001441431756 1181991369 /nfs/dbraw/zinc/99/13/69/1181991369.db2.gz JRACILGFUHRQMH-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@H+](CCC3CC3)CC[C@@H]21 ZINC001441468966 1182009743 /nfs/dbraw/zinc/00/97/43/1182009743.db2.gz FMQQOTMFQGTOLR-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@@H+](CCC3CC3)CC[C@@H]21 ZINC001441468966 1182009749 /nfs/dbraw/zinc/00/97/49/1182009749.db2.gz FMQQOTMFQGTOLR-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccc(C)cc2)C1 ZINC001441516195 1182036438 /nfs/dbraw/zinc/03/64/38/1182036438.db2.gz BFSVSNFVDMXUDU-HDICACEKSA-N 1 3 317.477 2.116 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001441516359 1182036560 /nfs/dbraw/zinc/03/65/60/1182036560.db2.gz CJOAITVDXHYSOS-IYBDPMFKSA-N 1 3 323.868 2.419 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccc(CF)cc1 ZINC001441953157 1182266190 /nfs/dbraw/zinc/26/61/90/1182266190.db2.gz REFCYHUWASUGQX-LSDHHAIUSA-N 1 3 321.440 2.092 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CC1)N1CCCC1 ZINC001442838454 1182736697 /nfs/dbraw/zinc/73/66/97/1182736697.db2.gz CKAFMSPQRGEIDU-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CCC1CC1)N1CCCC1 ZINC001442838454 1182736706 /nfs/dbraw/zinc/73/67/06/1182736706.db2.gz CKAFMSPQRGEIDU-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CCCC2CCC2)C1 ZINC001443305756 1182914794 /nfs/dbraw/zinc/91/47/94/1182914794.db2.gz DMCCXSOOSNILDQ-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCCC2CCC2)C1 ZINC001443305756 1182914803 /nfs/dbraw/zinc/91/48/03/1182914803.db2.gz DMCCXSOOSNILDQ-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCc1ccccc1 ZINC001443990686 1183243899 /nfs/dbraw/zinc/24/38/99/1183243899.db2.gz VHJBSEODADOOJR-WMZOPIPTSA-N 1 3 317.477 2.055 20 0 DEADHO Cc1cccc(C[N@@H+](C)CCN(C)C(=O)CN(C)C(C)C)c1 ZINC001445086251 1183766344 /nfs/dbraw/zinc/76/63/44/1183766344.db2.gz PTYDEGVJQHMFCF-UHFFFAOYSA-N 1 3 305.466 2.225 20 0 DEADHO Cc1cccc(C[N@H+](C)CCN(C)C(=O)CN(C)C(C)C)c1 ZINC001445086251 1183766354 /nfs/dbraw/zinc/76/63/54/1183766354.db2.gz PTYDEGVJQHMFCF-UHFFFAOYSA-N 1 3 305.466 2.225 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+][C@H](C)c1cccc(F)c1 ZINC001445504801 1183888029 /nfs/dbraw/zinc/88/80/29/1183888029.db2.gz QIXZPGOGOSNBFG-ZIAGYGMSSA-N 1 3 309.429 2.321 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001445572607 1183910857 /nfs/dbraw/zinc/91/08/57/1183910857.db2.gz PKWGDKHJOIRLTF-HOCLYGCPSA-N 1 3 309.498 2.247 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccc(F)cc1 ZINC001445659124 1183958815 /nfs/dbraw/zinc/95/88/15/1183958815.db2.gz TXXJWKJOACZADN-UONOGXRCSA-N 1 3 309.429 2.321 20 0 DEADHO CC1(C)CCCN(CCNC(=O)C2C[NH+](C3CCCCC3)C2)C1 ZINC001448508510 1185264595 /nfs/dbraw/zinc/26/45/95/1185264595.db2.gz LTQZGHUHULRUGL-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CN1CCCC[C@@H]1C(=O)N1CCC([N@H+](C)C/C=C/Cl)CC1 ZINC001448539994 1185284012 /nfs/dbraw/zinc/28/40/12/1185284012.db2.gz WNHVYAVHSMXABS-FUVBFXSKSA-N 1 3 313.873 2.146 20 0 DEADHO CN1CCCC[C@@H]1C(=O)N1CCC([N@@H+](C)C/C=C/Cl)CC1 ZINC001448539994 1185284018 /nfs/dbraw/zinc/28/40/18/1185284018.db2.gz WNHVYAVHSMXABS-FUVBFXSKSA-N 1 3 313.873 2.146 20 0 DEADHO CC(C)C[NH+]1CCN(c2ncccc2CN2CCCC2)CC1 ZINC001164657655 719340404 /nfs/dbraw/zinc/34/04/04/719340404.db2.gz WVIIMGAQZYHONH-UHFFFAOYSA-N 1 3 302.466 2.455 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC2CCCC2)[C@@H](C)C1 ZINC001405967995 1164362499 /nfs/dbraw/zinc/36/24/99/1164362499.db2.gz KMKBBHMUWHBEPS-DOTOQJQBSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)CCC[NH2+]C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001330609773 1149211003 /nfs/dbraw/zinc/21/10/03/1149211003.db2.gz HKLDHEXUOWOMFT-WKILWMFISA-N 1 3 309.498 2.391 20 0 DEADHO CN(CC1CC[NH+](C)CC1)c1ccc(CN(C)C2CC2)cn1 ZINC001165042059 721937565 /nfs/dbraw/zinc/93/75/65/721937565.db2.gz DEMWPGSWLHRXLT-UHFFFAOYSA-N 1 3 302.466 2.454 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CC1CCC1)N(C)C ZINC001089192266 782254108 /nfs/dbraw/zinc/25/41/08/782254108.db2.gz RXOLFFNCNQJYDG-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CCC1)N(C)C ZINC001089192266 782254117 /nfs/dbraw/zinc/25/41/17/782254117.db2.gz RXOLFFNCNQJYDG-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]C/C=C\Cl)[C@H](C)C1 ZINC001106336464 782660068 /nfs/dbraw/zinc/66/00/68/782660068.db2.gz PDZVNULYODXKPK-JUBSNLHESA-N 1 3 315.889 2.153 20 0 DEADHO CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001106668458 782843306 /nfs/dbraw/zinc/84/33/06/782843306.db2.gz LLPFZLBQTPOAHA-IAGOWNOFSA-N 1 3 321.509 2.369 20 0 DEADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCCC(C)(C)C ZINC001106704863 782871470 /nfs/dbraw/zinc/87/14/70/782871470.db2.gz GFBOHTCAGYBLNI-HUUCEWRRSA-N 1 3 320.481 2.463 20 0 DEADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCF)[C@H](C)C1 ZINC001106775427 782928414 /nfs/dbraw/zinc/92/84/14/782928414.db2.gz DXOWNESPYFALIX-HZPDHXFCSA-N 1 3 315.477 2.152 20 0 DEADHO C[C@H]1C[C@H](NC(=O)C(C)(C)N2CCCC2)CC[N@@H+]1CCCF ZINC000947617010 783190078 /nfs/dbraw/zinc/19/00/78/783190078.db2.gz UXWYOKFWNVHRLT-LSDHHAIUSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H]1C[C@H](NC(=O)C(C)(C)N2CCCC2)CC[N@H+]1CCCF ZINC000947617010 783190085 /nfs/dbraw/zinc/19/00/85/783190085.db2.gz UXWYOKFWNVHRLT-LSDHHAIUSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CC[N@H+](CC1CCCC1)C2 ZINC001072980099 790351606 /nfs/dbraw/zinc/35/16/06/790351606.db2.gz YEXXAQORHFGEJB-MRXNPFEDSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CC[N@@H+](CC1CCCC1)C2 ZINC001072980099 790351618 /nfs/dbraw/zinc/35/16/18/790351618.db2.gz YEXXAQORHFGEJB-MRXNPFEDSA-N 1 3 319.493 2.195 20 0 DEADHO CN(C)[C@H](C(=O)NCC1CC([NH2+]CC2CCCCC2)C1)C1CC1 ZINC001100408099 776615770 /nfs/dbraw/zinc/61/57/70/776615770.db2.gz VATQZPCQAJZYJK-VJFUWPCTSA-N 1 3 321.509 2.391 20 0 DEADHO CCCCC[NH2+]CC1(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001167233050 776786610 /nfs/dbraw/zinc/78/66/10/776786610.db2.gz ZKONBGRZCLYJQE-INIZCTEOSA-N 1 3 309.498 2.395 20 0 DEADHO CC(C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001087211881 777348428 /nfs/dbraw/zinc/34/84/28/777348428.db2.gz FCFWFJIJYIRYHH-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+]CC[C@H](C)F ZINC001167628097 777406847 /nfs/dbraw/zinc/40/68/47/777406847.db2.gz WCPKEMFJMIWJQL-LSDHHAIUSA-N 1 3 301.450 2.093 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000250514463 777571864 /nfs/dbraw/zinc/57/18/64/777571864.db2.gz QBLPJRNAGONSPX-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000250514463 777571869 /nfs/dbraw/zinc/57/18/69/777571869.db2.gz QBLPJRNAGONSPX-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1CC[NH2+]CC1CC1 ZINC001104682403 778019480 /nfs/dbraw/zinc/01/94/80/778019480.db2.gz OYDJOENMKLWGHW-NVXWUHKLSA-N 1 3 323.525 2.449 20 0 DEADHO CC(C)[NH2+]CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001104684236 778021850 /nfs/dbraw/zinc/02/18/50/778021850.db2.gz ZYRCVEMUQJVFIC-HZPDHXFCSA-N 1 3 311.514 2.447 20 0 DEADHO CCOC(=O)C1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167964384 779106175 /nfs/dbraw/zinc/10/61/75/779106175.db2.gz QFZDGQVLAJUDPH-MQVJKMGUSA-N 1 3 306.450 2.325 20 0 DEADHO CCOC(=O)C1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167964384 779106178 /nfs/dbraw/zinc/10/61/78/779106178.db2.gz QFZDGQVLAJUDPH-MQVJKMGUSA-N 1 3 306.450 2.325 20 0 DEADHO COCCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167995405 779215706 /nfs/dbraw/zinc/21/57/06/779215706.db2.gz DXOALFVEXLBQSY-DFNIBXOVSA-N 1 3 321.509 2.046 20 0 DEADHO COCCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167995405 779215708 /nfs/dbraw/zinc/21/57/08/779215708.db2.gz DXOALFVEXLBQSY-DFNIBXOVSA-N 1 3 321.509 2.046 20 0 DEADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)[C@H]1CC ZINC001087672559 779403461 /nfs/dbraw/zinc/40/34/61/779403461.db2.gz ZEYSJKVLZZJDSQ-GVDBMIGSSA-N 1 3 307.482 2.240 20 0 DEADHO CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)[C@H]1CC ZINC001087672559 779403467 /nfs/dbraw/zinc/40/34/67/779403467.db2.gz ZEYSJKVLZZJDSQ-GVDBMIGSSA-N 1 3 307.482 2.240 20 0 DEADHO CC1(C)CCN(CC(=O)N2CCCCC[C@H]([NH2+]CCF)C2)C1 ZINC001088380663 780046707 /nfs/dbraw/zinc/04/67/07/780046707.db2.gz MVZYGGWPAKEIOT-HNNXBMFYSA-N 1 3 313.461 2.049 20 0 DEADHO CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001101522386 780339319 /nfs/dbraw/zinc/33/93/19/780339319.db2.gz YAZFXEAAMORLCR-INIZCTEOSA-N 1 3 309.498 2.343 20 0 DEADHO COc1ccc2c(c1)C[C@@H](N1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001168259332 780505071 /nfs/dbraw/zinc/50/50/71/780505071.db2.gz CFXVUSUNCMKMNL-SFHVURJKSA-N 1 3 309.413 2.380 20 0 DEADHO CC[NH2+]CC1([C@H]2CCCCN2C(=O)CN2CC[C@@H](C)C2)CCC1 ZINC001105563188 780766329 /nfs/dbraw/zinc/76/63/29/780766329.db2.gz GILAZCMOSVUUKI-IAGOWNOFSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN1C[C@@H]2C[NH+]([C@@H]3Cc4ccc(OC)cc4C3)C[C@H]2C1 ZINC001168281975 780769786 /nfs/dbraw/zinc/76/97/86/780769786.db2.gz CIPIXRGFQAYNKT-KZNAEPCWSA-N 1 3 300.446 2.436 20 0 DEADHO c1n[nH]nc1CN1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001203214342 780855267 /nfs/dbraw/zinc/85/52/67/780855267.db2.gz YBYJOAGNZRQXHW-IRXDYDNUSA-N 1 3 311.433 2.149 20 0 DEADHO c1n[nH]nc1CN1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001203214342 780855273 /nfs/dbraw/zinc/85/52/73/780855273.db2.gz YBYJOAGNZRQXHW-IRXDYDNUSA-N 1 3 311.433 2.149 20 0 DEADHO c1[nH]nnc1CN1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001203214342 780855279 /nfs/dbraw/zinc/85/52/79/780855279.db2.gz YBYJOAGNZRQXHW-IRXDYDNUSA-N 1 3 311.433 2.149 20 0 DEADHO c1[nH]nnc1CN1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001203214342 780855282 /nfs/dbraw/zinc/85/52/82/780855282.db2.gz YBYJOAGNZRQXHW-IRXDYDNUSA-N 1 3 311.433 2.149 20 0 DEADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]CCCCCF)CC1 ZINC001168346208 780861736 /nfs/dbraw/zinc/86/17/36/780861736.db2.gz XSSOUEDHKMDXOO-UHFFFAOYSA-N 1 3 315.477 2.343 20 0 DEADHO Cc1ccc(C[NH2+]C2CC(CNC(=O)CN(C)C(C)C)C2)cc1 ZINC001101037309 780959922 /nfs/dbraw/zinc/95/99/22/780959922.db2.gz HXQBNJCLXHXTBY-UHFFFAOYSA-N 1 3 317.477 2.320 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CC1 ZINC001085589025 783865347 /nfs/dbraw/zinc/86/53/47/783865347.db2.gz BBQVFAOHXGVTFB-SJORKVTESA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC1CC1 ZINC001085589025 783865351 /nfs/dbraw/zinc/86/53/51/783865351.db2.gz BBQVFAOHXGVTFB-SJORKVTESA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1CCC1CC1 ZINC001085589025 783865356 /nfs/dbraw/zinc/86/53/56/783865356.db2.gz BBQVFAOHXGVTFB-SJORKVTESA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1CCC1CC1 ZINC001085589025 783865363 /nfs/dbraw/zinc/86/53/63/783865363.db2.gz BBQVFAOHXGVTFB-SJORKVTESA-N 1 3 307.482 2.192 20 0 DEADHO C[C@H]1CC[N@H+](CCC2CC2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC000967212106 783907404 /nfs/dbraw/zinc/90/74/04/783907404.db2.gz ZSDLZXAZKCLXJG-DOTOQJQBSA-N 1 3 319.493 2.242 20 0 DEADHO C[C@H]1CC[N@@H+](CCC2CC2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC000967212106 783907407 /nfs/dbraw/zinc/90/74/07/783907407.db2.gz ZSDLZXAZKCLXJG-DOTOQJQBSA-N 1 3 319.493 2.242 20 0 DEADHO CC[C@H](C)CN1CC[C@H]1CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001085696010 783974627 /nfs/dbraw/zinc/97/46/27/783974627.db2.gz XOJWMUFZGKNBMP-HOTGVXAUSA-N 1 3 307.482 2.194 20 0 DEADHO Cc1ccc(C)c(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC000967896463 784169327 /nfs/dbraw/zinc/16/93/27/784169327.db2.gz QYQMLLKOSAQGBS-QZTJIDSGSA-N 1 3 315.461 2.088 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC000967926790 784178391 /nfs/dbraw/zinc/17/83/91/784178391.db2.gz ZGZHWGWBXZOXSN-IAGOWNOFSA-N 1 3 305.466 2.162 20 0 DEADHO CC(C)(C(=O)N1CC[C@@H]([NH2+]CC2CCC2)C1)N1CCCCC1 ZINC000968672736 784533377 /nfs/dbraw/zinc/53/33/77/784533377.db2.gz MDKWDKNQAJHDOQ-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000968680922 784537835 /nfs/dbraw/zinc/53/78/35/784537835.db2.gz FHCPWYUUXDHWPH-PBHICJAKSA-N 1 3 303.450 2.208 20 0 DEADHO CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000968680922 784537843 /nfs/dbraw/zinc/53/78/43/784537843.db2.gz FHCPWYUUXDHWPH-PBHICJAKSA-N 1 3 303.450 2.208 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H](NCc2ccsc2)C1 ZINC000968969995 784674549 /nfs/dbraw/zinc/67/45/49/784674549.db2.gz AILLEQGQOFMTGZ-HZPDHXFCSA-N 1 3 321.490 2.313 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H](NCc2ccsc2)C1 ZINC000968969995 784674554 /nfs/dbraw/zinc/67/45/54/784674554.db2.gz AILLEQGQOFMTGZ-HZPDHXFCSA-N 1 3 321.490 2.313 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2csc(C)c2)C1)N(C)C ZINC000969076599 784716172 /nfs/dbraw/zinc/71/61/72/784716172.db2.gz CDVDAWAKCFPDCF-HUUCEWRRSA-N 1 3 309.479 2.087 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1)N(C)C ZINC000969077039 784716860 /nfs/dbraw/zinc/71/68/60/784716860.db2.gz JOHZQNZGSUZXGD-KBAYOESNSA-N 1 3 315.461 2.205 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H](CO)Cc1cccc(Cl)c1)C2 ZINC001169099564 785035069 /nfs/dbraw/zinc/03/50/69/785035069.db2.gz BPAYMFPAHSXWIA-VQHPVUNQSA-N 1 3 308.853 2.458 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H](CO)Cc1cccc(Cl)c1)C2 ZINC001169099564 785035078 /nfs/dbraw/zinc/03/50/78/785035078.db2.gz BPAYMFPAHSXWIA-VQHPVUNQSA-N 1 3 308.853 2.458 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1CCCN(c3ccccn3)C1)C2 ZINC001169115766 785059010 /nfs/dbraw/zinc/05/90/10/785059010.db2.gz OIUGCMFHRJNVKE-LUKYLMHMSA-N 1 3 300.450 2.265 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1CCCN(c3ccccn3)C1)C2 ZINC001169115766 785059015 /nfs/dbraw/zinc/05/90/15/785059015.db2.gz OIUGCMFHRJNVKE-LUKYLMHMSA-N 1 3 300.450 2.265 20 0 DEADHO Cc1cnccc1O[C@H]1CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3C)C1 ZINC001169155142 785072875 /nfs/dbraw/zinc/07/28/75/785072875.db2.gz YLZBEZDCDPNLLA-YVSFHVDLSA-N 1 3 301.434 2.468 20 0 DEADHO Cc1cnccc1O[C@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3C)C1 ZINC001169155142 785072886 /nfs/dbraw/zinc/07/28/86/785072886.db2.gz YLZBEZDCDPNLLA-YVSFHVDLSA-N 1 3 301.434 2.468 20 0 DEADHO Cc1cnccc1O[C@H]1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169155142 785072892 /nfs/dbraw/zinc/07/28/92/785072892.db2.gz YLZBEZDCDPNLLA-YVSFHVDLSA-N 1 3 301.434 2.468 20 0 DEADHO Cc1cnccc1O[C@H]1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169155142 785072901 /nfs/dbraw/zinc/07/29/01/785072901.db2.gz YLZBEZDCDPNLLA-YVSFHVDLSA-N 1 3 301.434 2.468 20 0 DEADHO CCN1CCC([NH2+]Cc2ccc(CN3CCOCC3)cc2)CC1 ZINC001169221758 785092040 /nfs/dbraw/zinc/09/20/40/785092040.db2.gz JTGUEFGQIXJKKO-UHFFFAOYSA-N 1 3 317.477 2.093 20 0 DEADHO CC[NH+]1CCC(NCc2ccc(CN3CCOCC3)cc2)CC1 ZINC001169221758 785092058 /nfs/dbraw/zinc/09/20/58/785092058.db2.gz JTGUEFGQIXJKKO-UHFFFAOYSA-N 1 3 317.477 2.093 20 0 DEADHO CC[NH+]1CCC(NCCc2ncccc2Br)CC1 ZINC001169244107 785110657 /nfs/dbraw/zinc/11/06/57/785110657.db2.gz BFXANGRGRFZJMY-UHFFFAOYSA-N 1 3 312.255 2.461 20 0 DEADHO CC[NH+]1CCC(n2nc(CN(C)C(C)C)c3c2CNCC3)CC1 ZINC001169248736 785114790 /nfs/dbraw/zinc/11/47/90/785114790.db2.gz AGGUTSZGIOVYPG-UHFFFAOYSA-N 1 3 319.497 2.026 20 0 DEADHO C[C@@H](C(=O)N[C@H]1CCC[N@H+](CC2CC2)C1)N1CCCCCC1 ZINC001008751350 785294494 /nfs/dbraw/zinc/29/44/94/785294494.db2.gz ZNGCQAJMSCRALH-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC2CC2)C1)N1CCCCCC1 ZINC001008751350 785294497 /nfs/dbraw/zinc/29/44/97/785294497.db2.gz ZNGCQAJMSCRALH-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169730583 785340584 /nfs/dbraw/zinc/34/05/84/785340584.db2.gz NOZUHDHFHAXHMA-ZWKOTPCHSA-N 1 3 315.461 2.365 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCN[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169730583 785340589 /nfs/dbraw/zinc/34/05/89/785340589.db2.gz NOZUHDHFHAXHMA-ZWKOTPCHSA-N 1 3 315.461 2.365 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCN[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169730583 785340595 /nfs/dbraw/zinc/34/05/95/785340595.db2.gz NOZUHDHFHAXHMA-ZWKOTPCHSA-N 1 3 315.461 2.365 20 0 DEADHO C[C@@H](CCCC[NH2+]Cc1nccs1)NC(=O)[C@@H]1CCCN1C ZINC001169808094 785375919 /nfs/dbraw/zinc/37/59/19/785375919.db2.gz BFEFZDXBIZUBMW-KBPBESRZSA-N 1 3 324.494 2.002 20 0 DEADHO C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CCCN(CCCF)C1 ZINC001009628615 785495212 /nfs/dbraw/zinc/49/52/12/785495212.db2.gz QIETYBMGHFUDBL-MRXNPFEDSA-N 1 3 321.440 2.302 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CCN(CC2CCC(C)CC2)CC1 ZINC001113498979 786638354 /nfs/dbraw/zinc/63/83/54/786638354.db2.gz BQZMPKIRRPEYMA-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CCN(CC2CCC(C)CC2)CC1 ZINC001113498979 786638357 /nfs/dbraw/zinc/63/83/57/786638357.db2.gz BQZMPKIRRPEYMA-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)=CCN1CC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001014723403 786724627 /nfs/dbraw/zinc/72/46/27/786724627.db2.gz PNAPSWIEABMOIR-DLBZAZTESA-N 1 3 307.482 2.406 20 0 DEADHO CC(C)=CCN1CC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001014723403 786724636 /nfs/dbraw/zinc/72/46/36/786724636.db2.gz PNAPSWIEABMOIR-DLBZAZTESA-N 1 3 307.482 2.406 20 0 DEADHO CN1CC(CNc2ccc(CO[C@@H]3CCCC[C@H]3[NH3+])cc2)C1 ZINC001170256340 786876231 /nfs/dbraw/zinc/87/62/31/786876231.db2.gz HIFYXOOUPUYZGW-QZTJIDSGSA-N 1 3 303.450 2.447 20 0 DEADHO CCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(C)C ZINC001114262440 787190963 /nfs/dbraw/zinc/19/09/63/787190963.db2.gz DIAJPPFMYCUMMV-VVLHAWIVSA-N 1 3 307.482 2.096 20 0 DEADHO CCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(C)C ZINC001114262440 787190969 /nfs/dbraw/zinc/19/09/69/787190969.db2.gz DIAJPPFMYCUMMV-VVLHAWIVSA-N 1 3 307.482 2.096 20 0 DEADHO Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)[C@H](C2CC2)N(C)C)c1 ZINC001129444349 787212118 /nfs/dbraw/zinc/21/21/18/787212118.db2.gz RTDFQGMTNBBFSH-QAPCUYQASA-N 1 3 317.477 2.410 20 0 DEADHO Cc1cc(Cl)ccc1C[NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001129435939 787214144 /nfs/dbraw/zinc/21/41/44/787214144.db2.gz KBIIRTYVDDEQFU-MRXNPFEDSA-N 1 3 323.868 2.194 20 0 DEADHO CN(CC(=O)NCC[NH2+]Cc1cccc(Cl)c1)C1CCC1 ZINC001129531760 787221782 /nfs/dbraw/zinc/22/17/82/787221782.db2.gz JEJJUXSGFXWRTH-UHFFFAOYSA-N 1 3 309.841 2.030 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+]CC/C=C\c1ccccc1)N(C)C ZINC001130203412 787313112 /nfs/dbraw/zinc/31/31/12/787313112.db2.gz KPSXOPHSJMPAFZ-SAYIFAPPSA-N 1 3 303.450 2.136 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+]C/C=C/c1ccc(Cl)cc1)N(C)C ZINC001130203106 787313308 /nfs/dbraw/zinc/31/33/08/787313308.db2.gz DRDVIFKPQQWEKF-SQRWCISFSA-N 1 3 323.868 2.399 20 0 DEADHO C[C@@H](Nc1ccc2c(c1)C1(CC2)CC[NH2+]CC1)[C@@H]1CNCCO1 ZINC001170566167 787641098 /nfs/dbraw/zinc/64/10/98/787641098.db2.gz DUNZUAUGVOKQLG-KDOFPFPSSA-N 1 3 315.461 2.043 20 0 DEADHO CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001096605606 787756109 /nfs/dbraw/zinc/75/61/09/787756109.db2.gz WYFXIQUFINTOKX-PVAVHDDUSA-N 1 3 301.434 2.103 20 0 DEADHO CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001096605606 787756116 /nfs/dbraw/zinc/75/61/16/787756116.db2.gz WYFXIQUFINTOKX-PVAVHDDUSA-N 1 3 301.434 2.103 20 0 DEADHO CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001097079968 787970144 /nfs/dbraw/zinc/97/01/44/787970144.db2.gz QKNFWQNABHJVCP-DDBAPUKQSA-N 1 3 319.493 2.382 20 0 DEADHO CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001097079968 787970151 /nfs/dbraw/zinc/97/01/51/787970151.db2.gz QKNFWQNABHJVCP-DDBAPUKQSA-N 1 3 319.493 2.382 20 0 DEADHO CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCCN1CCC3)C2 ZINC001097429899 788101532 /nfs/dbraw/zinc/10/15/32/788101532.db2.gz ABIFDBDMRJBOKU-OAGGEKHMSA-N 1 3 305.466 2.136 20 0 DEADHO CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCCN1CCC3)C2 ZINC001097429899 788101536 /nfs/dbraw/zinc/10/15/36/788101536.db2.gz ABIFDBDMRJBOKU-OAGGEKHMSA-N 1 3 305.466 2.136 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1C ZINC001133120961 788287750 /nfs/dbraw/zinc/28/77/50/788287750.db2.gz CRFXEZAZNKOYOZ-IAGOWNOFSA-N 1 3 323.525 2.449 20 0 DEADHO CC(C)[C@H](C(=O)NCC[NH2+][C@H]1CCCc2ccccc21)N(C)C ZINC001133434681 788428632 /nfs/dbraw/zinc/42/86/32/788428632.db2.gz YPTWJMWYTHODML-ZWKOTPCHSA-N 1 3 317.477 2.356 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(C)C)C1 ZINC001086711792 788600083 /nfs/dbraw/zinc/60/00/83/788600083.db2.gz BLYLJLULBZCYJE-BBWFWOEESA-N 1 3 309.498 2.391 20 0 DEADHO Cc1ccc(C[NH2+]CCNC(=O)CN2CCC(C)(C)C2)c(C)c1 ZINC001133896462 788663336 /nfs/dbraw/zinc/66/33/36/788663336.db2.gz KCGOTGFRRIBKJS-UHFFFAOYSA-N 1 3 317.477 2.241 20 0 DEADHO C[C@@H]([NH2+]CCNC(=O)CN1CCC(C)(C)C1)c1cccc(F)c1 ZINC001133896715 788663594 /nfs/dbraw/zinc/66/35/94/788663594.db2.gz QEEUSJJTIKQKNN-CQSZACIVSA-N 1 3 321.440 2.324 20 0 DEADHO CCCCCCN(C)CC(=O)NCC[NH2+]CCc1ccccc1 ZINC001135437147 789341827 /nfs/dbraw/zinc/34/18/27/789341827.db2.gz PAYXWDCAODKXQV-UHFFFAOYSA-N 1 3 319.493 2.447 20 0 DEADHO CCCc1ccc(C[NH2+]CCNC(=O)CN(CC)CC)cc1 ZINC001135511243 789380515 /nfs/dbraw/zinc/38/05/15/789380515.db2.gz NQPVQZAFOOPPOS-UHFFFAOYSA-N 1 3 305.466 2.187 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCOC(C)C ZINC001135706690 789461542 /nfs/dbraw/zinc/46/15/42/789461542.db2.gz ZRANTOJLJGVOMC-JKSUJKDBSA-N 1 3 315.502 2.016 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCc1ccccc1 ZINC001135980709 789581863 /nfs/dbraw/zinc/58/18/63/789581863.db2.gz RQXPHXDIHPUYKF-SJORKVTESA-N 1 3 319.493 2.444 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001135981196 789583460 /nfs/dbraw/zinc/58/34/60/789583460.db2.gz ZCZFNSUSKLGZTE-QWHCGFSZSA-N 1 3 319.440 2.246 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ncccc1C ZINC001135976257 789587449 /nfs/dbraw/zinc/58/74/49/789587449.db2.gz IKQSISZGFIYZQV-HZPDHXFCSA-N 1 3 320.481 2.105 20 0 DEADHO OC1(CNCc2ccoc2)CC[NH+](Cc2ccccc2)CC1 ZINC000397488452 790191908 /nfs/dbraw/zinc/19/19/08/790191908.db2.gz FTWQIZVFWSWLSQ-UHFFFAOYSA-N 1 3 300.402 2.396 20 0 DEADHO CN(C)[C@H](C(=O)N1CC2(C1)CC[N@H+](CC1CCCC1)C2)C1CC1 ZINC001072815327 790258074 /nfs/dbraw/zinc/25/80/74/790258074.db2.gz VCMAAHMDNVGDPR-KRWDZBQOSA-N 1 3 319.493 2.051 20 0 DEADHO CN(C)[C@H](C(=O)N1CC2(C1)CC[N@@H+](CC1CCCC1)C2)C1CC1 ZINC001072815327 790258076 /nfs/dbraw/zinc/25/80/76/790258076.db2.gz VCMAAHMDNVGDPR-KRWDZBQOSA-N 1 3 319.493 2.051 20 0 DEADHO CCC(CC)C[N@@H+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001072816370 790258133 /nfs/dbraw/zinc/25/81/33/790258133.db2.gz VHMDGWSHNICTIF-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CCC(CC)C[N@H+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001072816370 790258139 /nfs/dbraw/zinc/25/81/39/790258139.db2.gz VHMDGWSHNICTIF-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)[C@@H]1CCCN1C ZINC001074565021 791233527 /nfs/dbraw/zinc/23/35/27/791233527.db2.gz NYHCVIHJKBPHEK-XIRDDKMYSA-N 1 3 319.493 2.240 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccsc1 ZINC001146602094 791321140 /nfs/dbraw/zinc/32/11/40/791321140.db2.gz RJXRQUYLZZRTNU-KGLIPLIRSA-N 1 3 311.495 2.461 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1C[NH2+]CC1CCC1 ZINC001075290564 791561812 /nfs/dbraw/zinc/56/18/12/791561812.db2.gz OCDHJMJVMCHGMA-RDJZCZTQSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1C[NH2+]CC1CCC1 ZINC001075289954 791561984 /nfs/dbraw/zinc/56/19/84/791561984.db2.gz DYHAPESTYMWYSF-DOTOQJQBSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001098219441 791592324 /nfs/dbraw/zinc/59/23/24/791592324.db2.gz FEQPOSXPUQZECX-HZMVEIRTSA-N 1 3 305.466 2.016 20 0 DEADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001098219441 791592331 /nfs/dbraw/zinc/59/23/31/791592331.db2.gz FEQPOSXPUQZECX-HZMVEIRTSA-N 1 3 305.466 2.016 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC2(C1)CC[N@H+](CCC(C)C)C2 ZINC001147820053 791629486 /nfs/dbraw/zinc/62/94/86/791629486.db2.gz QPMHJMJLDKFEKK-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC2(C1)CC[N@@H+](CCC(C)C)C2 ZINC001147820053 791629492 /nfs/dbraw/zinc/62/94/92/791629492.db2.gz QPMHJMJLDKFEKK-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC(C)C)C[C@@]2(C)C1 ZINC001091715500 791739523 /nfs/dbraw/zinc/73/95/23/791739523.db2.gz ABPDYJAIGKVRJA-LMMKCTJWSA-N 1 3 321.509 2.297 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC(C)C)C[C@@]2(C)C1 ZINC001091715500 791739525 /nfs/dbraw/zinc/73/95/25/791739525.db2.gz ABPDYJAIGKVRJA-LMMKCTJWSA-N 1 3 321.509 2.297 20 0 DEADHO CCC[N@H+](C)CCC(=O)NCCNCc1cc(F)ccc1C ZINC001148570630 791768591 /nfs/dbraw/zinc/76/85/91/791768591.db2.gz IXSNLABMCMLLJQ-UHFFFAOYSA-N 1 3 309.429 2.072 20 0 DEADHO CCC[N@@H+](C)CCC(=O)NCCNCc1cc(F)ccc1C ZINC001148570630 791768594 /nfs/dbraw/zinc/76/85/94/791768594.db2.gz IXSNLABMCMLLJQ-UHFFFAOYSA-N 1 3 309.429 2.072 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC001148638140 791785633 /nfs/dbraw/zinc/78/56/33/791785633.db2.gz FFQIQXLFMUYXMR-UHFFFAOYSA-N 1 3 305.466 2.358 20 0 DEADHO CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001099434375 792205899 /nfs/dbraw/zinc/20/58/99/792205899.db2.gz MLPCUTKKLICHBL-BQFCYCMXSA-N 1 3 307.482 2.097 20 0 DEADHO CN(CC(=O)NCC1CC([NH2+]CC2=CCCCC2)C1)C1CCC1 ZINC001100410537 792635267 /nfs/dbraw/zinc/63/52/67/792635267.db2.gz AZHPQLUZWOZDCM-UHFFFAOYSA-N 1 3 319.493 2.456 20 0 DEADHO CCC[NH2+]C1CC(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001100679959 792784434 /nfs/dbraw/zinc/78/44/34/792784434.db2.gz XKFXZZRHPMDFRS-MQBCKMQZSA-N 1 3 313.461 2.093 20 0 DEADHO CC[C@@H](C(=O)NCC1CC([NH2+]CCCC2CCC2)C1)N(C)C ZINC001100684324 792787555 /nfs/dbraw/zinc/78/75/55/792787555.db2.gz CLCHNIRLELCNNF-JCYILVPMSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1CC([NH2+]CC2CC(C)(C)C2)C1 ZINC001100920852 792918949 /nfs/dbraw/zinc/91/89/49/792918949.db2.gz DPNDBTPJZQACCY-UHFFFAOYSA-N 1 3 318.465 2.181 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC1CC([NH2+]C/C=C/Cl)C1 ZINC001101036576 792977759 /nfs/dbraw/zinc/97/77/59/792977759.db2.gz UGRWOVITTSQJIA-HBXBYPHQSA-N 1 3 313.873 2.098 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1cc(C)no1)N(C)C ZINC001171501750 793114866 /nfs/dbraw/zinc/11/48/66/793114866.db2.gz WCUNZLBTPYYXOS-XJKSGUPXSA-N 1 3 324.469 2.088 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CCOC(C)C)N(C)C ZINC001171508731 793118211 /nfs/dbraw/zinc/11/82/11/793118211.db2.gz HLQIWGKIRNOIGP-HZPDHXFCSA-N 1 3 315.502 2.016 20 0 DEADHO CCOCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001171510119 793119168 /nfs/dbraw/zinc/11/91/68/793119168.db2.gz YMFDCAFCIKWJSH-JKSUJKDBSA-N 1 3 315.502 2.018 20 0 DEADHO CC(C)=CC[N@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101476277 793173714 /nfs/dbraw/zinc/17/37/14/793173714.db2.gz LPZVQAVBPTXCJT-AEFFLSMTSA-N 1 3 307.482 2.073 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101476277 793173719 /nfs/dbraw/zinc/17/37/19/793173719.db2.gz LPZVQAVBPTXCJT-AEFFLSMTSA-N 1 3 307.482 2.073 20 0 DEADHO CN(C)C(=O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172063637 793316737 /nfs/dbraw/zinc/31/67/37/793316737.db2.gz AJYHFEHFNFGXER-NNZMDNLPSA-N 1 3 315.461 2.250 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCC(=O)Nc1nccs1)C2 ZINC001172106861 793327882 /nfs/dbraw/zinc/32/78/82/793327882.db2.gz QLFPNTONGCGDGD-XYYAHUGASA-N 1 3 308.451 2.077 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCC(=O)Nc1nccs1)C2 ZINC001172106861 793327889 /nfs/dbraw/zinc/32/78/89/793327889.db2.gz QLFPNTONGCGDGD-XYYAHUGASA-N 1 3 308.451 2.077 20 0 DEADHO COCc1cccc([C@@H](CO)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)c1 ZINC001172110453 793331490 /nfs/dbraw/zinc/33/14/90/793331490.db2.gz MZDFLMYTDUMNQO-FCGDIQPGSA-N 1 3 318.461 2.471 20 0 DEADHO COCCC[NH+]1CCC(NCC[C@@H](O)c2ccccc2)CC1 ZINC001172245634 793386066 /nfs/dbraw/zinc/38/60/66/793386066.db2.gz ZJFWHCZTWHYNFH-GOSISDBHSA-N 1 3 306.450 2.201 20 0 DEADHO CC[C@H](C)OCC[C@H](C)N(CCC[NH+](C)C)CCC(=O)OC ZINC001172343134 793410347 /nfs/dbraw/zinc/41/03/47/793410347.db2.gz QCOKKIARYXIECO-HOTGVXAUSA-N 1 3 316.486 2.397 20 0 DEADHO CCOCC[C@H](C)[NH2+]Cc1ccccc1CN1CCN(C)CC1 ZINC001172412351 793415704 /nfs/dbraw/zinc/41/57/04/793415704.db2.gz WLFAFZAFAGCXAH-KRWDZBQOSA-N 1 3 319.493 2.339 20 0 DEADHO CCOCC[C@@H](C)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001172426696 793419102 /nfs/dbraw/zinc/41/91/02/793419102.db2.gz PQYZWEROENSCMA-BHIYHBOVSA-N 1 3 324.509 2.482 20 0 DEADHO CCOCC[C@@H](C)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001172426696 793419106 /nfs/dbraw/zinc/41/91/06/793419106.db2.gz PQYZWEROENSCMA-BHIYHBOVSA-N 1 3 324.509 2.482 20 0 DEADHO CO[C@@H]1CCC[C@H]([NH2+]C2CCN(CC3CCOCC3)CC2)C1 ZINC001172926942 793535151 /nfs/dbraw/zinc/53/51/51/793535151.db2.gz ULQUXCHKHJPYTH-ZWKOTPCHSA-N 1 3 310.482 2.425 20 0 DEADHO CC[NH+](CC)C1CCC(N2CC(N3CCOC(C)(C)C3)C2)CC1 ZINC001173115025 793582629 /nfs/dbraw/zinc/58/26/29/793582629.db2.gz WBAJRXFLIIXRPN-UHFFFAOYSA-N 1 3 323.525 2.434 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C ZINC001102600493 793669871 /nfs/dbraw/zinc/66/98/71/793669871.db2.gz IAKONDSVBNROMB-HZPDHXFCSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C ZINC001102600493 793669875 /nfs/dbraw/zinc/66/98/75/793669875.db2.gz IAKONDSVBNROMB-HZPDHXFCSA-N 1 3 311.514 2.447 20 0 DEADHO CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001103111663 793945526 /nfs/dbraw/zinc/94/55/26/793945526.db2.gz HHKHLSYLBYZJBR-ZACQAIPSSA-N 1 3 311.514 2.447 20 0 DEADHO CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001103111663 793945532 /nfs/dbraw/zinc/94/55/32/793945532.db2.gz HHKHLSYLBYZJBR-ZACQAIPSSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C)N(C)C ZINC001103407897 794077993 /nfs/dbraw/zinc/07/79/93/794077993.db2.gz ZSZXCZNAJAVPPN-KBAYOESNSA-N 1 3 323.525 2.447 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C)N(C)C ZINC001103407897 794078001 /nfs/dbraw/zinc/07/80/01/794078001.db2.gz ZSZXCZNAJAVPPN-KBAYOESNSA-N 1 3 323.525 2.447 20 0 DEADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](C[C@@H](C)CC)C[C@H]1C ZINC001103663659 794180728 /nfs/dbraw/zinc/18/07/28/794180728.db2.gz MOANHJVMHMXTSY-GVDBMIGSSA-N 1 3 311.514 2.449 20 0 DEADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](C[C@@H](C)CC)C[C@H]1C ZINC001103663659 794180730 /nfs/dbraw/zinc/18/07/30/794180730.db2.gz MOANHJVMHMXTSY-GVDBMIGSSA-N 1 3 311.514 2.449 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ocnc1C ZINC001175785841 794288448 /nfs/dbraw/zinc/28/84/48/794288448.db2.gz FEDOVSCSUBMNAL-AWEZNQCLSA-N 1 3 324.469 2.089 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)CCCC[NH2+]CC[C@H](C)F ZINC001175786353 794288625 /nfs/dbraw/zinc/28/86/25/794288625.db2.gz JMWJNZIKDVJESC-LSDHHAIUSA-N 1 3 303.466 2.341 20 0 DEADHO CC[C@H](C)C[NH2+]CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001206275201 794446972 /nfs/dbraw/zinc/44/69/72/794446972.db2.gz PTJICMZXWDSYJQ-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccn1 ZINC001176753388 794497228 /nfs/dbraw/zinc/49/72/28/794497228.db2.gz HKTSOXFVIDRHKC-INIZCTEOSA-N 1 3 320.481 2.186 20 0 DEADHO COCCCC[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C(C)C ZINC001176760295 794499501 /nfs/dbraw/zinc/49/95/01/794499501.db2.gz UBEUBQDITQOMSG-MRXNPFEDSA-N 1 3 315.502 2.018 20 0 DEADHO CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(N(C)C)CCC1)C2 ZINC001112396789 794622592 /nfs/dbraw/zinc/62/25/92/794622592.db2.gz FBAMILQNLZNXAU-RDJZCZTQSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H](F)CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC001179779254 795169734 /nfs/dbraw/zinc/16/97/34/795169734.db2.gz HGQQYBCHBGQUQU-JYJNAYRXSA-N 1 3 313.461 2.045 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CCc2ccccc2)[C@@H]1C ZINC001179744641 795170907 /nfs/dbraw/zinc/17/09/07/795170907.db2.gz ZTNCFSBPFLWTJD-WMZOPIPTSA-N 1 3 317.477 2.150 20 0 DEADHO CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001180136259 795239875 /nfs/dbraw/zinc/23/98/75/795239875.db2.gz URJFGWGIHMIBJE-JEZUCGJFSA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC2CCCCC2)[C@@H]1C ZINC001180226650 795258983 /nfs/dbraw/zinc/25/89/83/795258983.db2.gz FGHQDUPFWLZTKC-RDJZCZTQSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+]CC[C@H](C)F)CCCCC1 ZINC001120208407 795422143 /nfs/dbraw/zinc/42/21/43/795422143.db2.gz YVYXZGYHSXQSDZ-HNNXBMFYSA-N 1 3 315.477 2.483 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]C[C@H](O)c2ccccc2)C[C@@H](C)O1 ZINC001120480653 795469827 /nfs/dbraw/zinc/46/98/27/795469827.db2.gz ABMNVDQJYSZURN-NUJGCVRESA-N 1 3 306.450 2.199 20 0 DEADHO C[C@H]1CN(CCCC[NH2+]C[C@@H](O)c2ccccc2)C[C@H](C)O1 ZINC001120480655 795470213 /nfs/dbraw/zinc/47/02/13/795470213.db2.gz ABMNVDQJYSZURN-XYJFISCASA-N 1 3 306.450 2.199 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C(C)C)C1 ZINC001181671072 795517845 /nfs/dbraw/zinc/51/78/45/795517845.db2.gz JIHKYRKCIOGPJV-JFIYKMOQSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC001181973687 795585584 /nfs/dbraw/zinc/58/55/84/795585584.db2.gz SUJNMAVTEZFNHN-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC001181973687 795585587 /nfs/dbraw/zinc/58/55/87/795585587.db2.gz SUJNMAVTEZFNHN-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO COC(=O)c1ccc(CNCCCCC[NH+]2CCCC2)nc1 ZINC001182062090 795600861 /nfs/dbraw/zinc/60/08/61/795600861.db2.gz LFOROYXEDZWWHE-UHFFFAOYSA-N 1 3 305.422 2.224 20 0 DEADHO C[NH+](C)CCCOc1cnccc1CNC[C@@]1(C)CCCCO1 ZINC001182152092 795614189 /nfs/dbraw/zinc/61/41/89/795614189.db2.gz IQNZMPVWZRUGBQ-GOSISDBHSA-N 1 3 321.465 2.461 20 0 DEADHO CC[C@@H](F)C[NH2+]C1CC2(CC(NC(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001121302009 795614401 /nfs/dbraw/zinc/61/44/01/795614401.db2.gz KANNWRSYIDPDGR-KBMGIXFMSA-N 1 3 313.461 2.092 20 0 DEADHO CC[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CCC(C)C)C2)N(C)C ZINC001121798021 795689064 /nfs/dbraw/zinc/68/90/64/795689064.db2.gz FDCFYUHBYUFIJP-HVEGKCCWSA-N 1 3 309.498 2.390 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@]1(C)CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001182637423 795717310 /nfs/dbraw/zinc/71/73/10/795717310.db2.gz DGUJFYMRKYARDH-WBTNSWJXSA-N 1 3 315.477 2.149 20 0 DEADHO CCCN(C)CC(=O)NC1CC2(C1)CC([NH2+]C[C@H](C)CC)C2 ZINC001122106923 795726534 /nfs/dbraw/zinc/72/65/34/795726534.db2.gz VYPRGNOTLLNMHU-XOGYLQAWSA-N 1 3 309.498 2.391 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]CCCC(C)(C)C)C2)CCC1 ZINC001183229091 795828684 /nfs/dbraw/zinc/82/86/84/795828684.db2.gz BNYFKTSIDCFNKV-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@H](C(=O)N1CC2(CC[NH2+]CC2)c2ccccc21)N(C)C ZINC001183362887 795855674 /nfs/dbraw/zinc/85/56/74/795855674.db2.gz PQUVPHOCMWRCSR-QGZVFWFLSA-N 1 3 315.461 2.241 20 0 DEADHO CC(C)[NH+](CCCNC(=O)NC[C@@H]1CCCCN1C)C(C)C ZINC001123472208 795917950 /nfs/dbraw/zinc/91/79/50/795917950.db2.gz BOMCWAJNZWJJAT-INIZCTEOSA-N 1 3 312.502 2.279 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H](C[NH2+]CCCF)[C@H](C)C1 ZINC001184714375 796108980 /nfs/dbraw/zinc/10/89/80/796108980.db2.gz YACMFPRMHYBOTE-CABCVRRESA-N 1 3 315.477 2.151 20 0 DEADHO CC(C)CC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001185215635 796215379 /nfs/dbraw/zinc/21/53/79/796215379.db2.gz NALLFAIUVOKWKG-LSDHHAIUSA-N 1 3 306.454 2.073 20 0 DEADHO CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001185659115 796300795 /nfs/dbraw/zinc/30/07/95/796300795.db2.gz DHPGRDIMYVFOLS-SDKBWNRFSA-N 1 3 307.482 2.265 20 0 DEADHO CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001185659113 796301287 /nfs/dbraw/zinc/30/12/87/796301287.db2.gz DHPGRDIMYVFOLS-LZCSOBMZSA-N 1 3 307.482 2.265 20 0 DEADHO COc1ccc2[nH]nc(CN3CCC4(C[NH+](C)C4)CC3)c2c1 ZINC001140071004 796474304 /nfs/dbraw/zinc/47/43/04/796474304.db2.gz RMFQDGZKNHERKV-UHFFFAOYSA-N 1 3 300.406 2.099 20 0 DEADHO COc1ccc2n[nH]c(CN3CCC4(C[NH+](C)C4)CC3)c2c1 ZINC001140071004 796474305 /nfs/dbraw/zinc/47/43/05/796474305.db2.gz RMFQDGZKNHERKV-UHFFFAOYSA-N 1 3 300.406 2.099 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCCC1=CC[N@H+](CC2CC2)CC1 ZINC001161206340 796476503 /nfs/dbraw/zinc/47/65/03/796476503.db2.gz IRDHXBHQSHRNHJ-HNNXBMFYSA-N 1 3 305.466 2.019 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCCC1=CC[N@@H+](CC2CC2)CC1 ZINC001161206340 796476504 /nfs/dbraw/zinc/47/65/04/796476504.db2.gz IRDHXBHQSHRNHJ-HNNXBMFYSA-N 1 3 305.466 2.019 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2C[C@H]([NH2+]CC3CCC3)C23CCC3)CCC1 ZINC001203030153 796516700 /nfs/dbraw/zinc/51/67/00/796516700.db2.gz WYRYLYCBUXKUDR-JKSUJKDBSA-N 1 3 319.493 2.288 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001187307142 796522302 /nfs/dbraw/zinc/52/23/02/796522302.db2.gz WHHDVHLOGLEEQC-RHSMWYFYSA-N 1 3 321.440 2.419 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001188124384 796629185 /nfs/dbraw/zinc/62/91/85/796629185.db2.gz BSQJHTHSLADAAX-FUVBFXSKSA-N 1 3 321.852 2.305 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCCc2ccsc2)C1 ZINC001188158480 796641266 /nfs/dbraw/zinc/64/12/66/796641266.db2.gz PWQGCYUUWLAUDR-MRXNPFEDSA-N 1 3 323.506 2.211 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[C@H]([NH2+]CCCF)C12CCC2 ZINC001203101696 796649157 /nfs/dbraw/zinc/64/91/57/796649157.db2.gz FVNWRPCHDUJNSA-UONOGXRCSA-N 1 3 313.461 2.093 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H]([N@H+](C)CCCCCF)C2)CCC1 ZINC001190643721 797047861 /nfs/dbraw/zinc/04/78/61/797047861.db2.gz CHJGHKRMGGPXKU-HNNXBMFYSA-N 1 3 313.461 2.143 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H]([N@@H+](C)CCCCCF)C2)CCC1 ZINC001190643721 797047865 /nfs/dbraw/zinc/04/78/65/797047865.db2.gz CHJGHKRMGGPXKU-HNNXBMFYSA-N 1 3 313.461 2.143 20 0 DEADHO CN(CC(=O)N1CC[C@H]([N@H+](C)CCC(C)(C)C)C1)C1CCC1 ZINC001190675391 797056645 /nfs/dbraw/zinc/05/66/45/797056645.db2.gz LZZICGKYXUETEJ-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CN(CC(=O)N1CC[C@H]([N@@H+](C)CCC(C)(C)C)C1)C1CCC1 ZINC001190675391 797056649 /nfs/dbraw/zinc/05/66/49/797056649.db2.gz LZZICGKYXUETEJ-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)CC2CC(C)C2)C1 ZINC001191030467 797126596 /nfs/dbraw/zinc/12/65/96/797126596.db2.gz SUFMAOCPARMMAE-UYSNPLJNSA-N 1 3 309.498 2.296 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)CC2CC(C)C2)C1 ZINC001191030467 797126601 /nfs/dbraw/zinc/12/66/01/797126601.db2.gz SUFMAOCPARMMAE-UYSNPLJNSA-N 1 3 309.498 2.296 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)CCCCCF)C1 ZINC001191030752 797127184 /nfs/dbraw/zinc/12/71/84/797127184.db2.gz VLBGCBCTNQPXIU-OAHLLOKOSA-N 1 3 315.477 2.389 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)CCCCCF)C1 ZINC001191030752 797127185 /nfs/dbraw/zinc/12/71/85/797127185.db2.gz VLBGCBCTNQPXIU-OAHLLOKOSA-N 1 3 315.477 2.389 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC[NH2+]CCC1=CCCCC1 ZINC001152146377 797150552 /nfs/dbraw/zinc/15/05/52/797150552.db2.gz JBHUXUJTKLXZPA-HOTGVXAUSA-N 1 3 307.482 2.456 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001152457757 797191222 /nfs/dbraw/zinc/19/12/22/797191222.db2.gz HRNPUCCZGPFPNR-ZIAGYGMSSA-N 1 3 317.424 2.002 20 0 DEADHO CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194041646 797668326 /nfs/dbraw/zinc/66/83/26/797668326.db2.gz YAOKHGSWYFUKDR-KEGWNNHHSA-N 1 3 307.482 2.361 20 0 DEADHO CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194041646 797668332 /nfs/dbraw/zinc/66/83/32/797668332.db2.gz YAOKHGSWYFUKDR-KEGWNNHHSA-N 1 3 307.482 2.361 20 0 DEADHO CC[N@H+](C/C=C/Cl)[C@H](C)CNC(=O)c1cnccc1N(C)C ZINC001156428370 797998226 /nfs/dbraw/zinc/99/82/26/797998226.db2.gz KZHSKZQYIBONED-STMXVASLSA-N 1 3 324.856 2.340 20 0 DEADHO CC[N@@H+](C/C=C/Cl)[C@H](C)CNC(=O)c1cnccc1N(C)C ZINC001156428370 797998230 /nfs/dbraw/zinc/99/82/30/797998230.db2.gz KZHSKZQYIBONED-STMXVASLSA-N 1 3 324.856 2.340 20 0 DEADHO c1ccc([C@@H](CNc2ncc3c(n2)CCNC3)[NH+]2CCCC2)cc1 ZINC001156529199 798022875 /nfs/dbraw/zinc/02/28/75/798022875.db2.gz DBPCHGNZNKJYIB-GOSISDBHSA-N 1 3 323.444 2.371 20 0 DEADHO CCOc1ccc(C)c(C(=O)N(CC[NH+](CC)CC)C(=N)N)c1 ZINC001197156002 798156714 /nfs/dbraw/zinc/15/67/14/798156714.db2.gz PTKZJJQWVOCIDR-UHFFFAOYSA-N 1 3 320.437 2.071 20 0 DEADHO CCCCCC[N@@H+]1CCCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001197157975 798156800 /nfs/dbraw/zinc/15/68/00/798156800.db2.gz BTNMQRFODZSMFD-KRWDZBQOSA-N 1 3 309.498 2.443 20 0 DEADHO CCCCCC[N@H+]1CCCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001197157975 798156801 /nfs/dbraw/zinc/15/68/01/798156801.db2.gz BTNMQRFODZSMFD-KRWDZBQOSA-N 1 3 309.498 2.443 20 0 DEADHO CC(C)N(C)CC(=O)NCC[NH2+][C@H]1CCCc2ccccc21 ZINC001152432156 798311717 /nfs/dbraw/zinc/31/17/17/798311717.db2.gz HTOHZWDDQGSOBZ-KRWDZBQOSA-N 1 3 303.450 2.110 20 0 DEADHO CC(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001158090279 798340282 /nfs/dbraw/zinc/34/02/82/798340282.db2.gz RZJDZBNNTQSDIY-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001158090279 798340290 /nfs/dbraw/zinc/34/02/90/798340290.db2.gz RZJDZBNNTQSDIY-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]([NH2+]C(C)C)c1ccccc1OC)N(C)C ZINC001198902631 798409086 /nfs/dbraw/zinc/40/90/86/798409086.db2.gz NCPGQMBFNMCCCM-HOTGVXAUSA-N 1 3 321.465 2.191 20 0 DEADHO CCOC(=O)c1c(NC2=CNCCC2)sc2c1CC[NH2+]C2 ZINC001159212906 798539372 /nfs/dbraw/zinc/53/93/72/798539372.db2.gz YJAZVKMKEANCNX-UHFFFAOYSA-N 1 3 307.419 2.207 20 0 DEADHO CCN1CCN(Cc2ccc(NC3=CCC[NH2+]C3)cc2)CC1 ZINC001159509688 798576464 /nfs/dbraw/zinc/57/64/64/798576464.db2.gz QVMILSBSOXZULG-UHFFFAOYSA-N 1 3 300.450 2.113 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001159854805 798618699 /nfs/dbraw/zinc/61/86/99/798618699.db2.gz SRSMSONBIFSYGK-UHFFFAOYSA-N 1 3 317.477 2.384 20 0 DEADHO CCCC[N@H+](CC)CCNC(=S)NCCN1CCCCC1 ZINC001200437839 798627321 /nfs/dbraw/zinc/62/73/21/798627321.db2.gz KDRRKQCNOXNOJH-UHFFFAOYSA-N 1 3 314.543 2.058 20 0 DEADHO CCCC[N@@H+](CC)CCNC(=S)NCCN1CCCCC1 ZINC001200437839 798627327 /nfs/dbraw/zinc/62/73/27/798627327.db2.gz KDRRKQCNOXNOJH-UHFFFAOYSA-N 1 3 314.543 2.058 20 0 DEADHO CN(C)[C@@H](C(=O)NCCC1=CC[N@H+](CC2CCC2)CC1)C1CC1 ZINC001160359916 798679506 /nfs/dbraw/zinc/67/95/06/798679506.db2.gz GFQVYYLVJDBOQJ-GOSISDBHSA-N 1 3 319.493 2.265 20 0 DEADHO CN(C)[C@@H](C(=O)NCCC1=CC[N@@H+](CC2CCC2)CC1)C1CC1 ZINC001160359916 798679509 /nfs/dbraw/zinc/67/95/09/798679509.db2.gz GFQVYYLVJDBOQJ-GOSISDBHSA-N 1 3 319.493 2.265 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC[NH2+][C@H]1CCc2ccccc21)N(C)C ZINC001160427790 798686681 /nfs/dbraw/zinc/68/66/81/798686681.db2.gz UARUIWSPWHJEKI-ROUUACIJSA-N 1 3 317.477 2.356 20 0 DEADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1c1cc2ccccc2[nH]1 ZINC001160497632 798696105 /nfs/dbraw/zinc/69/61/05/798696105.db2.gz BIFAFCNWIKSZPY-YOEHRIQHSA-N 1 3 314.433 2.288 20 0 DEADHO CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H]1CCC[C@@H](c2ccccc2)N1 ZINC001160698481 798724742 /nfs/dbraw/zinc/72/47/42/798724742.db2.gz KPQRWPLTPQCOPD-NJAFHUGGSA-N 1 3 315.461 2.328 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+]C/C=C\c1ccccc1)N(C)C ZINC001160877416 798753283 /nfs/dbraw/zinc/75/32/83/798753283.db2.gz WPNHXGXBVCEZFA-SAYIFAPPSA-N 1 3 303.450 2.136 20 0 DEADHO CCc1ccccc1CC[NH2+]CCCNC(=O)[C@@H](CC)N(C)C ZINC001160883668 798755373 /nfs/dbraw/zinc/75/53/73/798755373.db2.gz RYVJPKUHEFAVIP-GOSISDBHSA-N 1 3 319.493 2.228 20 0 DEADHO CC(C)[C@H]([NH3+])C(=O)N(C)[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001160958556 798770972 /nfs/dbraw/zinc/77/09/72/798770972.db2.gz YGODAKJMEORGBA-SZMVWBNQSA-N 1 3 317.477 2.339 20 0 DEADHO CN(C(=O)[C@@H]1CCC[C@@H](c2ccccc2)N1)C1(C)CC[NH2+]CC1 ZINC001161074262 798791731 /nfs/dbraw/zinc/79/17/31/798791731.db2.gz XHUNHASPKLQZSY-IRXDYDNUSA-N 1 3 315.461 2.470 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]Cc1cc(F)ccc1C ZINC001161250992 798816190 /nfs/dbraw/zinc/81/61/90/798816190.db2.gz HDNXFQJGSGWWIA-UHFFFAOYSA-N 1 3 323.456 2.460 20 0 DEADHO CC(C)CCC[NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001202495537 798980841 /nfs/dbraw/zinc/98/08/41/798980841.db2.gz GASDHMVVPMMIBT-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO COC(=O)[C@@H](Nc1ccc(F)c(CN2CCCC2)c1)C(C)(C)[NH3+] ZINC001162955619 799207431 /nfs/dbraw/zinc/20/74/31/799207431.db2.gz HLFARZQWQPGHKS-OAHLLOKOSA-N 1 3 323.412 2.112 20 0 DEADHO CC(C)(C)[NH+]1CCN(c2cc(Cl)nc3c2CCNC3)CC1 ZINC001165090460 799647842 /nfs/dbraw/zinc/64/78/42/799647842.db2.gz BFLNHFDXFXHLDV-UHFFFAOYSA-N 1 3 308.857 2.301 20 0 DEADHO CC(C)[C@H](C(=O)NCCC[NH2+][C@H]1CCc2ccccc21)N(C)C ZINC001166010888 799812353 /nfs/dbraw/zinc/81/23/53/799812353.db2.gz UARUIWSPWHJEKI-ZWKOTPCHSA-N 1 3 317.477 2.356 20 0 DEADHO C[C@@H]([NH2+]CCCNC(=O)CN1CCC[C@H]1C)c1ccc(F)cc1 ZINC001166626962 799904694 /nfs/dbraw/zinc/90/46/94/799904694.db2.gz NCWOMEOBKKOZRB-HUUCEWRRSA-N 1 3 321.440 2.467 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]Cc2ccc(CF)cc2)C1 ZINC001166668128 799915593 /nfs/dbraw/zinc/91/55/93/799915593.db2.gz SABWWAUJTCMWJM-OAHLLOKOSA-N 1 3 321.440 2.094 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166668183 799915700 /nfs/dbraw/zinc/91/57/00/799915700.db2.gz UMPHTASFPUBCAE-DOTOQJQBSA-N 1 3 317.477 2.494 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CCCc2ccccc2)C1 ZINC001166678121 799917861 /nfs/dbraw/zinc/91/78/61/799917861.db2.gz SNEGTQFYRNLNGD-KRWDZBQOSA-N 1 3 317.477 2.057 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CC2CCC(C)CC2)C1 ZINC001166678183 799918120 /nfs/dbraw/zinc/91/81/20/799918120.db2.gz UNPRNEOHCAEXIX-AQFXKWCLSA-N 1 3 309.498 2.250 20 0 DEADHO CC[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001167044683 800015054 /nfs/dbraw/zinc/01/50/54/800015054.db2.gz NLZRYFTXRXNWRO-HZPDHXFCSA-N 1 3 311.514 2.495 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]([NH2+]CCC2CC2)C12CCC2 ZINC001203650934 800099612 /nfs/dbraw/zinc/09/96/12/800099612.db2.gz KLLDKNYLVAIKDL-JKSUJKDBSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC2CCC2)C12CCC2 ZINC001203791010 800123814 /nfs/dbraw/zinc/12/38/14/800123814.db2.gz BIRBKOSSCPQGAK-JKSUJKDBSA-N 1 3 307.482 2.144 20 0 DEADHO CCN1CCN(Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001204263749 800195901 /nfs/dbraw/zinc/19/59/01/800195901.db2.gz BONDKODKBQVDNK-UHFFFAOYSA-N 1 3 305.466 2.155 20 0 DEADHO C[NH+](C)Cc1ccc(-c2noc([C@H]3CCNC[C@H]3F)n2)cc1 ZINC001205220671 800321272 /nfs/dbraw/zinc/32/12/72/800321272.db2.gz ZDZGELIFJOMFAZ-UONOGXRCSA-N 1 3 304.369 2.213 20 0 DEADHO C[C@H]1CCN(Cc2ccc(C(F)(F)F)nn2)CC[C@H]1C[NH3+] ZINC001205628275 800389700 /nfs/dbraw/zinc/38/97/00/800389700.db2.gz UJOJKXILDYJZIV-QWRGUYRKSA-N 1 3 302.344 2.302 20 0 DEADHO C[C@H]1CCN(Cc2ccc(C(F)(F)F)nn2)CC[C@@H]1C[NH3+] ZINC001205628276 800390756 /nfs/dbraw/zinc/39/07/56/800390756.db2.gz UJOJKXILDYJZIV-WDEREUQCSA-N 1 3 302.344 2.302 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC(C[NH2+]C/C=C/Cl)CC1)N(C)C ZINC001206169889 800483979 /nfs/dbraw/zinc/48/39/79/800483979.db2.gz SXZPDOUOSLCPRD-SBJJXXPASA-N 1 3 315.889 2.153 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC(C[NH2+]C/C=C/Cl)CC1 ZINC001206273881 800499910 /nfs/dbraw/zinc/49/99/10/800499910.db2.gz CEXZAXAVEZVYPY-RRFAQUSLSA-N 1 3 313.873 2.051 20 0 DEADHO OC[C@@H]1C[C@@H](F)CN1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207286902 800723499 /nfs/dbraw/zinc/72/34/99/800723499.db2.gz PBQVFZUBTAIRCG-MSOLQXFVSA-N 1 3 306.425 2.303 20 0 DEADHO C[NH+]1CCC(CCN2CCCN(C(=O)c3ccco3)CC2)CC1 ZINC001207487236 800765157 /nfs/dbraw/zinc/76/51/57/800765157.db2.gz VBSVNRSNSPXWJX-UHFFFAOYSA-N 1 3 319.449 2.159 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC2CC(C)C2)C[C@H]1C ZINC001207749904 800823456 /nfs/dbraw/zinc/82/34/56/800823456.db2.gz GRNFIHSAUNEIFD-GYTBAZASSA-N 1 3 309.498 2.199 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC2CC(C)C2)C[C@H]1C ZINC001207749904 800823463 /nfs/dbraw/zinc/82/34/63/800823463.db2.gz GRNFIHSAUNEIFD-GYTBAZASSA-N 1 3 309.498 2.199 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1)C1CC1 ZINC001208333910 800957535 /nfs/dbraw/zinc/95/75/35/800957535.db2.gz AGNZYGJGGXRVRG-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001208334353 800957682 /nfs/dbraw/zinc/95/76/82/800957682.db2.gz IQVRULYLYNXWHE-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001208341167 800959964 /nfs/dbraw/zinc/95/99/64/800959964.db2.gz VOCIBOIIAOJVTG-YIEVGGLXSA-N 1 3 307.482 2.408 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C)N(CC)CC ZINC001208575593 801015794 /nfs/dbraw/zinc/01/57/94/801015794.db2.gz QVLTXTCSPUMKNF-OIISXLGYSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C)N(CC)CC ZINC001208575593 801015799 /nfs/dbraw/zinc/01/57/99/801015799.db2.gz QVLTXTCSPUMKNF-OIISXLGYSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N1CCOC[C@@]2(CCC[N@H+](C[C@@H]3CCCN(C)C3)C2)C1 ZINC001208606114 801028632 /nfs/dbraw/zinc/02/86/32/801028632.db2.gz CMWWJKQAJOZXPL-RTBURBONSA-N 1 3 323.525 2.151 20 0 DEADHO CC(C)N1CCOC[C@@]2(CCC[N@@H+](C[C@@H]3CCCN(C)C3)C2)C1 ZINC001208606114 801028637 /nfs/dbraw/zinc/02/86/37/801028637.db2.gz CMWWJKQAJOZXPL-RTBURBONSA-N 1 3 323.525 2.151 20 0 DEADHO CCOC(=O)c1ccc(CCCN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC001208868782 801082231 /nfs/dbraw/zinc/08/22/31/801082231.db2.gz FXKIKBWXEUISAR-HDICACEKSA-N 1 3 316.445 2.289 20 0 DEADHO CCOC(=O)c1ccc(CCCN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1 ZINC001208868782 801082238 /nfs/dbraw/zinc/08/22/38/801082238.db2.gz FXKIKBWXEUISAR-HDICACEKSA-N 1 3 316.445 2.289 20 0 DEADHO CC(C)[C@H](C(=O)NC1CC[NH+](CC2CC(C)C2)CC1)N(C)C ZINC001229058231 801216639 /nfs/dbraw/zinc/21/66/39/801216639.db2.gz HAKITZUVBKLHRW-VMBOVVBDSA-N 1 3 309.498 2.199 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/Cl ZINC001229213339 801241589 /nfs/dbraw/zinc/24/15/89/801241589.db2.gz HHVFCAXWFNQCOC-JRNZPDHYSA-N 1 3 301.862 2.098 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(C)C ZINC001229939968 801339893 /nfs/dbraw/zinc/33/98/93/801339893.db2.gz QZMOPELTENHFIQ-HUUCEWRRSA-N 1 3 306.454 2.324 20 0 DEADHO CC(C)N(C)CC(=O)NC1CC[NH+](CCC2CCCC2)CC1 ZINC001230367313 801393435 /nfs/dbraw/zinc/39/34/35/801393435.db2.gz VLBOAMKUFJESHE-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)NC1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001230367071 801393751 /nfs/dbraw/zinc/39/37/51/801393751.db2.gz PXORQDFMUGPAAN-IXDOHACOSA-N 1 3 321.509 2.343 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001210789822 801464333 /nfs/dbraw/zinc/46/43/33/801464333.db2.gz RHSZNQAYNLBELX-QGZVFWFLSA-N 1 3 303.450 2.109 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001210790156 801465394 /nfs/dbraw/zinc/46/53/94/801465394.db2.gz VIBYQBUWSITNIX-QGZVFWFLSA-N 1 3 307.482 2.409 20 0 DEADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1[NH2+]CCCF ZINC001214634393 801741993 /nfs/dbraw/zinc/74/19/93/801741993.db2.gz MDKKIZFINWDIJK-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO Oc1cncc(C[N@@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)c1 ZINC001232041015 801777931 /nfs/dbraw/zinc/77/79/31/801777931.db2.gz COJIEXBJMVEDMB-MSOLQXFVSA-N 1 3 324.428 2.136 20 0 DEADHO Oc1cncc(C[N@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)c1 ZINC001232041015 801777935 /nfs/dbraw/zinc/77/79/35/801777935.db2.gz COJIEXBJMVEDMB-MSOLQXFVSA-N 1 3 324.428 2.136 20 0 DEADHO Oc1cncc(CN2C[C@@H]3C[N@@H+](Cc4ccncc4)CC[C@@H]3C2)c1 ZINC001232041015 801777940 /nfs/dbraw/zinc/77/79/40/801777940.db2.gz COJIEXBJMVEDMB-MSOLQXFVSA-N 1 3 324.428 2.136 20 0 DEADHO Oc1cncc(CN2C[C@@H]3C[N@H+](Cc4ccncc4)CC[C@@H]3C2)c1 ZINC001232041015 801777943 /nfs/dbraw/zinc/77/79/43/801777943.db2.gz COJIEXBJMVEDMB-MSOLQXFVSA-N 1 3 324.428 2.136 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCC2)C1)N(C)C ZINC001214952609 801781549 /nfs/dbraw/zinc/78/15/49/801781549.db2.gz DFMGNIPREOKWBP-DJIMGWMZSA-N 1 3 309.498 2.343 20 0 DEADHO CC[NH+]1C[C@H]2CN(Cc3cc(F)cc(CN(C)C)c3)C[C@@H]2C1 ZINC001232151529 801800311 /nfs/dbraw/zinc/80/03/11/801800311.db2.gz OONLGNHEKPDMEK-IRXDYDNUSA-N 1 3 305.441 2.271 20 0 DEADHO CC/C=C\CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001215536927 801873526 /nfs/dbraw/zinc/87/35/26/801873526.db2.gz ZWVDYRGKHGATDH-XVRZYIOUSA-N 1 3 307.482 2.264 20 0 DEADHO C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001215568002 801876868 /nfs/dbraw/zinc/87/68/68/801876868.db2.gz JTZJJYPRCWBXOY-QLFBSQMISA-N 1 3 315.477 2.149 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csc(C)c2)C1 ZINC001216001637 801925451 /nfs/dbraw/zinc/92/54/51/801925451.db2.gz GTXWVJYNVDHKTM-CZUORRHYSA-N 1 3 323.506 2.335 20 0 DEADHO c1ccc2c(c1)CNC[C@@H]2Oc1ccccc1N1CC[NH2+]CC1 ZINC001218491118 802190637 /nfs/dbraw/zinc/19/06/37/802190637.db2.gz VIYXNZAEPUAATM-IBGZPJMESA-N 1 3 309.413 2.320 20 0 DEADHO N[C@@H](C(=O)Nc1cc(Cl)cc2[nH]ccc21)C1CC[NH2+]CC1 ZINC001218993090 802272243 /nfs/dbraw/zinc/27/22/43/802272243.db2.gz UYHFMOZGPUJMEL-CQSZACIVSA-N 1 3 306.797 2.087 20 0 DEADHO CC(=O)c1c(F)cccc1NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001219000727 802273779 /nfs/dbraw/zinc/27/37/79/802273779.db2.gz YYCXJDCKFRAACU-ZDUSSCGKSA-N 1 3 309.385 2.026 20 0 DEADHO C[NH+](C)CCNC(=O)C[C@@H](N)c1ccc(Cl)cc1Cl ZINC001219553700 802343488 /nfs/dbraw/zinc/34/34/88/802343488.db2.gz HHCZNVDTIQUYQA-GFCCVEGCSA-N 1 3 304.221 2.061 20 0 DEADHO N[C@@H](C(=O)NC1CCC(c2ccccc2)CC1)C1CC[NH2+]CC1 ZINC001219950218 802393792 /nfs/dbraw/zinc/39/37/92/802393792.db2.gz NHTUWGUOHKOZEP-VMWRSERWSA-N 1 3 315.461 2.156 20 0 DEADHO [NH3+][C@@H](CC1CCC1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC001219998850 802399758 /nfs/dbraw/zinc/39/97/58/802399758.db2.gz DAFXCQNZXXFPLJ-ROUUACIJSA-N 1 3 315.461 2.457 20 0 DEADHO N[C@@H](CC1CCC1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001219998850 802399768 /nfs/dbraw/zinc/39/97/68/802399768.db2.gz DAFXCQNZXXFPLJ-ROUUACIJSA-N 1 3 315.461 2.457 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@H]1CCCc2cccnc21 ZINC001220225903 802428517 /nfs/dbraw/zinc/42/85/17/802428517.db2.gz LKIXSDAJZFSCRE-HOTGVXAUSA-N 1 3 318.465 2.071 20 0 DEADHO Cc1cc([C@H](C)NC(=O)[C@@H](N)C2CC[NH2+]CC2)ccc1Cl ZINC001220557726 802473882 /nfs/dbraw/zinc/47/38/82/802473882.db2.gz VBYVCMUNRQHPHO-NHYWBVRUSA-N 1 3 309.841 2.153 20 0 DEADHO CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]1CCC[C@H](c2ccccc2)N1 ZINC001220859673 802505927 /nfs/dbraw/zinc/50/59/27/802505927.db2.gz JBRRFTRLBIJXDZ-OAGGEKHMSA-N 1 3 303.450 2.359 20 0 DEADHO [NH3+][C@H](C(=O)NCCc1c[nH]c2ccncc12)C1CCCCC1 ZINC001220866014 802506918 /nfs/dbraw/zinc/50/69/18/802506918.db2.gz PUFQGIFWJYQBAH-INIZCTEOSA-N 1 3 300.406 2.129 20 0 DEADHO C[C@@]1([NH3+])C[C@H](NC(=O)C[C@@H](N)c2ccc(Cl)cc2Cl)C1 ZINC001221239751 802540913 /nfs/dbraw/zinc/54/09/13/802540913.db2.gz TWDWZFHNKMHYEF-IUPBHXKESA-N 1 3 316.232 2.379 20 0 DEADHO CC[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCC3CC3)C[C@H]21)N(CC)CC ZINC001221811958 802618587 /nfs/dbraw/zinc/61/85/87/802618587.db2.gz QYPGPGYLZDFRKM-FGTMMUONSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CCC3CC3)C[C@H]21)N(CC)CC ZINC001221811958 802618592 /nfs/dbraw/zinc/61/85/92/802618592.db2.gz QYPGPGYLZDFRKM-FGTMMUONSA-N 1 3 321.509 2.440 20 0 DEADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001221919325 802627077 /nfs/dbraw/zinc/62/70/77/802627077.db2.gz JDLCYPJJHBNQCK-QZTJIDSGSA-N 1 3 315.461 2.061 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001221919325 802627080 /nfs/dbraw/zinc/62/70/80/802627080.db2.gz JDLCYPJJHBNQCK-QZTJIDSGSA-N 1 3 315.461 2.061 20 0 DEADHO CC/C=C\CC[NH+]1CCC(NC(=O)CN(C)C2CCC2)CC1 ZINC001227832788 803285770 /nfs/dbraw/zinc/28/57/70/803285770.db2.gz OHKZWFJDPBAYCG-PLNGDYQASA-N 1 3 307.482 2.408 20 0 DEADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H](C)[NH2+]Cc1ccccc1 ZINC001368838155 1148703651 /nfs/dbraw/zinc/70/36/51/1148703651.db2.gz IRKRAXVZKPASQE-HUUCEWRRSA-N 1 3 303.450 2.154 20 0 DEADHO CC1CCN(CC(=O)N2CCC(C)([NH2+]CCCF)CC2)CC1 ZINC001328034650 1148703991 /nfs/dbraw/zinc/70/39/91/1148703991.db2.gz GAXCFUXDHWXJEJ-UHFFFAOYSA-N 1 3 313.461 2.049 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]([NH2+]CC1CCCCC1)C1CC1 ZINC001370266271 1149444669 /nfs/dbraw/zinc/44/46/69/1149444669.db2.gz RQQBUFJFRBPGNH-KRWDZBQOSA-N 1 3 318.465 2.325 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H](CNC(=O)CN(C)C(C)C)C1CC1 ZINC001370279450 1149465772 /nfs/dbraw/zinc/46/57/72/1149465772.db2.gz XHMRTSQBPQOPAY-SFHVURJKSA-N 1 3 317.477 2.320 20 0 DEADHO CC(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001419330818 1168405234 /nfs/dbraw/zinc/40/52/34/1168405234.db2.gz GVBIQFQUYSUASA-SJORKVTESA-N 1 3 309.498 2.155 20 0 DEADHO CC(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001419330818 1168405241 /nfs/dbraw/zinc/40/52/41/1168405241.db2.gz GVBIQFQUYSUASA-SJORKVTESA-N 1 3 309.498 2.155 20 0 DEADHO CN(CC(=O)N1CCC[C@@H](C[N@H+](C)CCC2CC2)C1)C1CCC1 ZINC001370292095 1149482997 /nfs/dbraw/zinc/48/29/97/1149482997.db2.gz AFCSCOYTXUXSCP-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CN(CC(=O)N1CCC[C@@H](C[N@@H+](C)CCC2CC2)C1)C1CCC1 ZINC001370292095 1149483007 /nfs/dbraw/zinc/48/30/07/1149483007.db2.gz AFCSCOYTXUXSCP-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccsc1 ZINC001420619770 1169832736 /nfs/dbraw/zinc/83/27/36/1169832736.db2.gz MJLCBNMIROCSIU-OAHLLOKOSA-N 1 3 309.479 2.028 20 0 DEADHO CCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccsc1 ZINC001420619770 1169832737 /nfs/dbraw/zinc/83/27/37/1169832737.db2.gz MJLCBNMIROCSIU-OAHLLOKOSA-N 1 3 309.479 2.028 20 0 DEADHO C[C@H](NC/C(Cl)=C\Cl)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001368332844 1148416127 /nfs/dbraw/zinc/41/61/27/1148416127.db2.gz JHUKZUXCCHIWLC-ZSEQQEGFSA-N 1 3 322.280 2.084 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@@H+](C)CC1CCC(F)(F)CC1 ZINC001403796416 1163197016 /nfs/dbraw/zinc/19/70/16/1163197016.db2.gz XINHXNKBCIVYDA-UHFFFAOYSA-N 1 3 319.440 2.200 20 0 DEADHO CC(C)(C)CC[C@H](N)C[N@@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC001575130210 1069374504 /nfs/dbraw/zinc/37/45/04/1069374504.db2.gz GYJCOEUTOFDMLM-LPHOPBHVSA-N 1 3 317.477 2.269 20 0 DEADHO CC(C)(C)CC[C@H](N)C[N@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC001575130210 1069374507 /nfs/dbraw/zinc/37/45/07/1069374507.db2.gz GYJCOEUTOFDMLM-LPHOPBHVSA-N 1 3 317.477 2.269 20 0 DEADHO CC[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(-c2nnn[n-]2)cc1 ZINC001604056892 1070190650 /nfs/dbraw/zinc/19/06/50/1070190650.db2.gz XMHHZHBNMPGQKJ-LSDHHAIUSA-N 1 3 312.421 2.050 20 0 DEADHO CC[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(-c2nn[n-]n2)cc1 ZINC001604056892 1070190656 /nfs/dbraw/zinc/19/06/56/1070190656.db2.gz XMHHZHBNMPGQKJ-LSDHHAIUSA-N 1 3 312.421 2.050 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)C1)N(C)C ZINC001368530563 1148480601 /nfs/dbraw/zinc/48/06/01/1148480601.db2.gz YHDFUGGYJRVDHY-FRRDWIJNSA-N 1 3 323.403 2.009 20 0 DEADHO CC/C=C/CC[NH2+]CC1CC(NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001328915972 1148847486 /nfs/dbraw/zinc/84/74/86/1148847486.db2.gz UIACITNGSIWGSE-FMZFJBBLSA-N 1 3 307.482 2.169 20 0 DEADHO Cc1cccc(CN2CC[C@@H](NC(=O)[C@H](C)CC[NH+](C)C)C2)c1 ZINC001454311768 1057478226 /nfs/dbraw/zinc/47/82/26/1057478226.db2.gz KGHGTVOGFYTVPV-SJLPKXTDSA-N 1 3 317.477 2.273 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2C[NH2+]CCC(C)(C)C)C1 ZINC001499925887 1058381888 /nfs/dbraw/zinc/38/18/88/1058381888.db2.gz CZGMKHPOOBKZDZ-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO CO[C@@H]([C@@H](C)[NH2+]C1CCC(C)(N2CCOCC2)CC1)C1CC1 ZINC001462247053 1058787066 /nfs/dbraw/zinc/78/70/66/1058787066.db2.gz GOPDJBOQVWNXJX-YKWDICOMSA-N 1 3 310.482 2.423 20 0 DEADHO CCC/C=C\CC[N@H+]1C[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001501242516 1059401401 /nfs/dbraw/zinc/40/14/01/1059401401.db2.gz HQLBZTOULYBNRN-UNWHRZBZSA-N 1 3 321.509 2.463 20 0 DEADHO CCC/C=C\CC[N@@H+]1C[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001501242516 1059401407 /nfs/dbraw/zinc/40/14/07/1059401407.db2.gz HQLBZTOULYBNRN-UNWHRZBZSA-N 1 3 321.509 2.463 20 0 DEADHO CC[C@@H](F)C[NH2+]CC[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001501574488 1059556036 /nfs/dbraw/zinc/55/60/36/1059556036.db2.gz NSRFDQOKXNZDCN-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC3CCC3)C[C@H]2C1 ZINC001369163568 1148859336 /nfs/dbraw/zinc/85/93/36/1148859336.db2.gz QRGKHFDOWNIZAE-KZNAEPCWSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC3CCC3)C[C@H]2C1 ZINC001369163568 1148859337 /nfs/dbraw/zinc/85/93/37/1148859337.db2.gz QRGKHFDOWNIZAE-KZNAEPCWSA-N 1 3 321.509 2.343 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CCC2CC2)C1 ZINC001505537805 1060685092 /nfs/dbraw/zinc/68/50/92/1060685092.db2.gz MNRFWXSVOKXCHO-OFLPRAFFSA-N 1 3 307.482 2.145 20 0 DEADHO CCOCC[C@H](O)CN1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001473717656 1060714528 /nfs/dbraw/zinc/71/45/28/1060714528.db2.gz YWWXSSYAOJIFEU-MSOLQXFVSA-N 1 3 312.498 2.360 20 0 DEADHO CCOC(=O)c1[nH]c(C)c(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)c1C ZINC001474303232 1060847085 /nfs/dbraw/zinc/84/70/85/1060847085.db2.gz USHHBGBTDDUJKX-FVQBIDKESA-N 1 3 319.449 2.238 20 0 DEADHO Cc1noc(C2CC(NC[C@@H]3CCC[N@H+](CC4CC4)C3)C2)n1 ZINC001474644935 1060908291 /nfs/dbraw/zinc/90/82/91/1060908291.db2.gz GJCTYGHQAZVZNQ-FHERZECASA-N 1 3 304.438 2.336 20 0 DEADHO Cc1noc(C2CC(NC[C@@H]3CCC[N@@H+](CC4CC4)C3)C2)n1 ZINC001474644935 1060908310 /nfs/dbraw/zinc/90/83/10/1060908310.db2.gz GJCTYGHQAZVZNQ-FHERZECASA-N 1 3 304.438 2.336 20 0 DEADHO Cc1noc(C2CC([NH2+]C[C@@H]3CCCN(CC4CC4)C3)C2)n1 ZINC001474644935 1060908321 /nfs/dbraw/zinc/90/83/21/1060908321.db2.gz GJCTYGHQAZVZNQ-FHERZECASA-N 1 3 304.438 2.336 20 0 DEADHO CC[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001479321354 1061391632 /nfs/dbraw/zinc/39/16/32/1061391632.db2.gz LPIVNDYZUGHJCK-OAGGEKHMSA-N 1 3 311.514 2.495 20 0 DEADHO CN(CC(=O)N1CCCCC[C@@H]([NH2+]CCCF)C1)C1CCC1 ZINC001479688817 1061603629 /nfs/dbraw/zinc/60/36/29/1061603629.db2.gz VKRKQKUVWKMVCR-OAHLLOKOSA-N 1 3 313.461 2.191 20 0 DEADHO C[C@H]1C[C@@H](C(=O)NCCCN(C)Cc2ccsc2)CC[N@@H+]1C ZINC001479792733 1061778321 /nfs/dbraw/zinc/77/83/21/1061778321.db2.gz ZDZKKNRQCFMOQL-HOCLYGCPSA-N 1 3 323.506 2.417 20 0 DEADHO C[C@H]1C[C@@H](C(=O)NCCCN(C)Cc2ccsc2)CC[N@H+]1C ZINC001479792733 1061778332 /nfs/dbraw/zinc/77/83/32/1061778332.db2.gz ZDZKKNRQCFMOQL-HOCLYGCPSA-N 1 3 323.506 2.417 20 0 DEADHO CN(CCCNC(=O)C[C@H]1CC[N@H+](C)C1)Cc1ccsc1 ZINC001479808542 1061812182 /nfs/dbraw/zinc/81/21/82/1061812182.db2.gz GQXDWFWCVRFMNZ-CQSZACIVSA-N 1 3 309.479 2.028 20 0 DEADHO CN(CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)Cc1ccsc1 ZINC001479808542 1061812197 /nfs/dbraw/zinc/81/21/97/1061812197.db2.gz GQXDWFWCVRFMNZ-CQSZACIVSA-N 1 3 309.479 2.028 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[N@@H+](C)CCc1cccs1 ZINC001479811039 1061821123 /nfs/dbraw/zinc/82/11/23/1061821123.db2.gz ZAYSTDMREYCRCC-UHFFFAOYSA-N 1 3 320.462 2.003 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[N@H+](C)CCc1cccs1 ZINC001479811039 1061821133 /nfs/dbraw/zinc/82/11/33/1061821133.db2.gz ZAYSTDMREYCRCC-UHFFFAOYSA-N 1 3 320.462 2.003 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001479986483 1062149283 /nfs/dbraw/zinc/14/92/83/1062149283.db2.gz KVWICJSRRYPSME-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001506861194 1062444743 /nfs/dbraw/zinc/44/47/43/1062444743.db2.gz QYXWFXZQXVUPSN-ARFHVFGLSA-N 1 3 307.482 2.097 20 0 DEADHO CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001506861194 1062444754 /nfs/dbraw/zinc/44/47/54/1062444754.db2.gz QYXWFXZQXVUPSN-ARFHVFGLSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CCC(C)(C)C)C2)C1 ZINC001506897605 1062487190 /nfs/dbraw/zinc/48/71/90/1062487190.db2.gz RHSJTVKRNMKZGE-JYJNAYRXSA-N 1 3 309.498 2.249 20 0 DEADHO CCCCC[N@@H+]1CCC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001480254735 1062534043 /nfs/dbraw/zinc/53/40/43/1062534043.db2.gz ICXQBYPWJAGGGU-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CCCCC[N@H+]1CCC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001480254735 1062534061 /nfs/dbraw/zinc/53/40/61/1062534061.db2.gz ICXQBYPWJAGGGU-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CN(CC(=O)NC[C@H]1CCC[N@H+](CCCF)C1)CC(C)(C)C ZINC001480262139 1062552332 /nfs/dbraw/zinc/55/23/32/1062552332.db2.gz FTOOZTAVZWTTGE-OAHLLOKOSA-N 1 3 315.477 2.152 20 0 DEADHO CN(CC(=O)NC[C@H]1CCC[N@@H+](CCCF)C1)CC(C)(C)C ZINC001480262139 1062552352 /nfs/dbraw/zinc/55/23/52/1062552352.db2.gz FTOOZTAVZWTTGE-OAHLLOKOSA-N 1 3 315.477 2.152 20 0 DEADHO CN(CC(=O)N1CCC[C@@H](C[NH2+]C/C=C\Cl)C1)C1CCC1 ZINC001480286232 1062586345 /nfs/dbraw/zinc/58/63/45/1062586345.db2.gz OOFVJIHYPIOFRP-VCDPDADVSA-N 1 3 313.873 2.051 20 0 DEADHO CCc1ccccc1C[NH2+][C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001480476458 1062912005 /nfs/dbraw/zinc/91/20/05/1062912005.db2.gz ANQZOMPIKUZUTP-HNNXBMFYSA-N 1 3 317.477 2.328 20 0 DEADHO C[C@@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CC1CCC1 ZINC001480538301 1063002776 /nfs/dbraw/zinc/00/27/76/1063002776.db2.gz WQWZDPYHWVJKDX-GUYCJALGSA-N 1 3 313.461 2.093 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]C/C(Cl)=C/Cl)C1 ZINC001480675872 1063172650 /nfs/dbraw/zinc/17/26/50/1063172650.db2.gz JJGRQLFLFAONPD-BFTHVDOESA-N 1 3 322.280 2.085 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCCF)C(C)(C)C ZINC001507949833 1063476239 /nfs/dbraw/zinc/47/62/39/1063476239.db2.gz CMAISEGXDBYFLA-LSDHHAIUSA-N 1 3 315.477 2.341 20 0 DEADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]Cc2csc(C)c2)C1 ZINC001508145729 1063579314 /nfs/dbraw/zinc/57/93/14/1063579314.db2.gz QNCRPFSDUVXXIU-UHFFFAOYSA-N 1 3 323.506 2.477 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1=CC[N@H+](CC2CCC2)CC1)N(C)C ZINC001508231122 1063623501 /nfs/dbraw/zinc/62/35/01/1063623501.db2.gz XFEFQSDMWPINFC-KRWDZBQOSA-N 1 3 307.482 2.121 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1=CC[N@@H+](CC2CCC2)CC1)N(C)C ZINC001508231122 1063623503 /nfs/dbraw/zinc/62/35/03/1063623503.db2.gz XFEFQSDMWPINFC-KRWDZBQOSA-N 1 3 307.482 2.121 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)CC[NH2+]Cc2cccc(Cl)c2)C1 ZINC001493695292 1063923965 /nfs/dbraw/zinc/92/39/65/1063923965.db2.gz PBORUPFFMVYNIS-CQSZACIVSA-N 1 3 323.868 2.230 20 0 DEADHO CN(CC[NH2+]Cc1cccc2ccccc21)C(=O)Cc1c[nH]cn1 ZINC001493708649 1063928380 /nfs/dbraw/zinc/92/83/80/1063928380.db2.gz IXMSGCDROOAVJE-UHFFFAOYSA-N 1 3 322.412 2.354 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@@H](C)[NH2+]C/C=C/Cl)CC1 ZINC001493846494 1063988327 /nfs/dbraw/zinc/98/83/27/1063988327.db2.gz GWAZRGHLLDVZGA-LHRNQBEKSA-N 1 3 315.889 2.297 20 0 DEADHO CN(CCNCc1cccc(F)c1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001567510663 1064232010 /nfs/dbraw/zinc/23/20/10/1064232010.db2.gz FXMNEEDJOSVPCZ-KRWDZBQOSA-N 1 3 321.440 2.248 20 0 DEADHO CN(CCNCc1cccc(F)c1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001567510663 1064232016 /nfs/dbraw/zinc/23/20/16/1064232016.db2.gz FXMNEEDJOSVPCZ-KRWDZBQOSA-N 1 3 321.440 2.248 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C)cc1 ZINC001567611858 1064279169 /nfs/dbraw/zinc/27/91/69/1064279169.db2.gz XNBLPRJXEWNWMB-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+]CC1=CCCCC1 ZINC001567611333 1064279281 /nfs/dbraw/zinc/27/92/81/1064279281.db2.gz CMEOUDQXVWGYLX-KRWDZBQOSA-N 1 3 307.482 2.409 20 0 DEADHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccc(F)cc1 ZINC001495059711 1064672891 /nfs/dbraw/zinc/67/28/91/1064672891.db2.gz VOZWBGZMWJHKPI-RHSMWYFYSA-N 1 3 321.440 2.152 20 0 DEADHO C[C@@H](CC[NH2+]Cc1ccccn1)NC(=O)CN(C)CC(C)(C)C ZINC001568678750 1065043128 /nfs/dbraw/zinc/04/31/28/1065043128.db2.gz XUNRSJZALQULPC-HNNXBMFYSA-N 1 3 320.481 2.044 20 0 DEADHO Cc1cc(C[NH2+]C[C@H](C)CNC(=O)CN2CC[C@H](C)C2)cs1 ZINC001495742945 1065088760 /nfs/dbraw/zinc/08/87/60/1065088760.db2.gz LSVQVLSJBWQHPE-KBPBESRZSA-N 1 3 323.506 2.240 20 0 DEADHO CC[C@H](C(=O)N(CC)CC[NH2+]Cc1csc(C)c1)N(C)C ZINC001568751785 1065100089 /nfs/dbraw/zinc/10/00/89/1065100089.db2.gz UDFQGHATKBESGG-OAHLLOKOSA-N 1 3 311.495 2.335 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+]CC1CCCCC1 ZINC001495794885 1065114504 /nfs/dbraw/zinc/11/45/04/1065114504.db2.gz DNQOJNCIKSFQPL-CYBMUJFWSA-N 1 3 306.454 2.183 20 0 DEADHO COCCOCc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)cc1 ZINC001621108521 1078169711 /nfs/dbraw/zinc/16/97/11/1078169711.db2.gz REKMSRZJCCIOPT-GUDVDZBRSA-N 1 3 318.461 2.279 20 0 DEADHO CC(C)[C@@H](C(=O)NC/C=C\CNCc1cccc(F)c1)[NH+](C)C ZINC001568867008 1065165903 /nfs/dbraw/zinc/16/59/03/1065165903.db2.gz ZNZSYKRGESXPFT-OSJSJHBBSA-N 1 3 321.440 2.174 20 0 DEADHO Cc1ccc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCCN2C)c(C)c1 ZINC001568899391 1065178770 /nfs/dbraw/zinc/17/87/70/1065178770.db2.gz YHIMYSDUKVLDMU-SHCNBLLESA-N 1 3 315.461 2.160 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC=C(Cl)Cl ZINC001568991883 1065232694 /nfs/dbraw/zinc/23/26/94/1065232694.db2.gz NCDIIPZDXBVYSF-NEPJUHHUSA-N 1 3 322.280 2.273 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC=C(Cl)Cl ZINC001568991883 1065232707 /nfs/dbraw/zinc/23/27/07/1065232707.db2.gz NCDIIPZDXBVYSF-NEPJUHHUSA-N 1 3 322.280 2.273 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CN2CC[C@H](C)C2)cc1 ZINC001496156052 1065313304 /nfs/dbraw/zinc/31/33/04/1065313304.db2.gz WRAKUTOSSVGBPP-DLBZAZTESA-N 1 3 317.477 2.273 20 0 DEADHO CN(CCC[NH2+]Cc1ccccc1F)C(=O)[C@H]1CCCCN1C ZINC001569214519 1065371443 /nfs/dbraw/zinc/37/14/43/1065371443.db2.gz IVNSYWMBAMQAEY-QGZVFWFLSA-N 1 3 321.440 2.248 20 0 DEADHO CC1CC(C[NH2+]CCCN(C)C(=O)CN(C)CC(C)(C)C)C1 ZINC001569239762 1065388320 /nfs/dbraw/zinc/38/83/20/1065388320.db2.gz IRSIMMZUHHLYHD-UHFFFAOYSA-N 1 3 311.514 2.449 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1[NH2+]CC1CC1 ZINC001496361615 1065427816 /nfs/dbraw/zinc/42/78/16/1065427816.db2.gz WFZDAMXARPWAJX-GDBMZVCRSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H](CC[NH2+]CCC2CC2)C1)N(C)C ZINC001570015158 1065883577 /nfs/dbraw/zinc/88/35/77/1065883577.db2.gz HGUSUOFSOWDUHA-IAGOWNOFSA-N 1 3 309.498 2.201 20 0 DEADHO Cc1ccc(C[NH2+]C/C=C/CNC(=O)CN(C)C(C)C)cc1C ZINC001497767187 1066298195 /nfs/dbraw/zinc/29/81/95/1066298195.db2.gz YZXPBXMFYSRPJX-VOTSOKGWSA-N 1 3 317.477 2.406 20 0 DEADHO CC(C)C[NH2+]CC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC001575604228 1066370125 /nfs/dbraw/zinc/37/01/25/1066370125.db2.gz UORXVDOBMMMPHJ-CQSZACIVSA-N 1 3 309.479 2.247 20 0 DEADHO C[C@@H](c1ccccc1)[C@@H](NCc1cccc2c1CC[NH2+]C2)C(N)=O ZINC001576311271 1066556777 /nfs/dbraw/zinc/55/67/77/1066556777.db2.gz PMOOMZDHMSBOMA-IFXJQAMLSA-N 1 3 323.440 2.080 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)c2ccccc2CC2CC[NH2+]CC2)CCN1C ZINC001576588201 1066639350 /nfs/dbraw/zinc/63/93/50/1066639350.db2.gz SJYBZGUJLZORTD-KDOFPFPSSA-N 1 3 315.461 2.051 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC2(CN)CCC2)CCN1C(=O)OC(C)(C)C ZINC001576623368 1066648119 /nfs/dbraw/zinc/64/81/19/1066648119.db2.gz KDGSRFUCEFMZGA-KGLIPLIRSA-N 1 3 311.470 2.493 20 0 DEADHO C[C@H]1C[C@@H]1c1noc(CC2CCN(CC(C)(C)C[NH3+])CC2)n1 ZINC001576636429 1066650004 /nfs/dbraw/zinc/65/00/04/1066650004.db2.gz VPNJYMBDWXYBTP-JSGCOSHPSA-N 1 3 306.454 2.432 20 0 DEADHO CN(C)C1(C(=O)N(C)CCC[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCC1 ZINC001498560890 1066778577 /nfs/dbraw/zinc/77/85/77/1066778577.db2.gz VXADHYMZTPTWRA-ZACQAIPSSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@@](O)(CCC(F)(F)F)CNCc1cc(C(C)(C)[NH3+])no1 ZINC001577183205 1066782518 /nfs/dbraw/zinc/78/25/18/1066782518.db2.gz XTSWPPXVRCADIJ-CYBMUJFWSA-N 1 3 323.359 2.442 20 0 DEADHO CCN(CC)[C@H](CNC(=O)C[NH2+]CC(C)C)c1ccsc1 ZINC001577681419 1066903113 /nfs/dbraw/zinc/90/31/13/1066903113.db2.gz UVUDJZMAUKGYAE-OAHLLOKOSA-N 1 3 311.495 2.493 20 0 DEADHO CCC/C=C/CCN1CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001498978661 1066997454 /nfs/dbraw/zinc/99/74/54/1066997454.db2.gz IDDQXLRKCIVKOP-ZLKFPQNLSA-N 1 3 319.493 2.265 20 0 DEADHO CN(C(=O)[C@H]1CCCC[C@H]1[NH3+])[C@H]1CCN(Cc2ccccc2)C1 ZINC001578385994 1067075526 /nfs/dbraw/zinc/07/55/26/1067075526.db2.gz KDSWSTHZWNRGLA-OKZBNKHCSA-N 1 3 315.461 2.237 20 0 DEADHO CO[C@@H](c1ccccc1Cl)[C@@H](C)NCc1c(C[NH3+])cnn1C ZINC001578921051 1067200332 /nfs/dbraw/zinc/20/03/32/1067200332.db2.gz ZSPUWBWDQSFJGD-BDJLRTHQSA-N 1 3 322.840 2.398 20 0 DEADHO COC[C@@H](CC(C)(C)C)NCc1ccc(N2CC[NH2+]CC2)o1 ZINC001578960647 1067211688 /nfs/dbraw/zinc/21/16/88/1067211688.db2.gz LQQHUGUFKSTNKM-CQSZACIVSA-N 1 3 309.454 2.230 20 0 DEADHO Cc1c(C[C@H](CN)C[NH2+][C@H]2CCO[C@H](CC(C)C)C2)cnn1C ZINC001579529537 1067361641 /nfs/dbraw/zinc/36/16/41/1067361641.db2.gz KLJZKVKIJQFCJO-BPQIPLTHSA-N 1 3 322.497 2.029 20 0 DEADHO Cc1c(C[C@H](CN)C[NH2+]C[C@H]2CCCCC2(F)F)cnn1C ZINC001579530850 1067361973 /nfs/dbraw/zinc/36/19/73/1067361973.db2.gz YYZUQXFHVWQUFT-UKRRQHHQSA-N 1 3 314.424 2.261 20 0 DEADHO Cc1c(C[C@H](C[NH3+])CNC[C@H]2CCCCC2(F)F)cnn1C ZINC001579530850 1067361986 /nfs/dbraw/zinc/36/19/86/1067361986.db2.gz YYZUQXFHVWQUFT-UKRRQHHQSA-N 1 3 314.424 2.261 20 0 DEADHO Cc1cc([C@@H]2CCCCN2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)n[nH]1 ZINC001579590754 1067377670 /nfs/dbraw/zinc/37/76/70/1067377670.db2.gz RRTLQQNTOULIKK-BHYGNILZSA-N 1 3 304.438 2.014 20 0 DEADHO FC(F)(F)Oc1ccccc1CNC[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001580018467 1067472243 /nfs/dbraw/zinc/47/22/43/1067472243.db2.gz HHJXKJOXCMKFQD-LBPRGKRZSA-N 1 3 316.323 2.196 20 0 DEADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3cnc(C4CC4)nc3)C2)C1 ZINC001580200442 1067522346 /nfs/dbraw/zinc/52/23/46/1067522346.db2.gz QZHOJUGISVWEBR-GVDBMIGSSA-N 1 3 316.449 2.072 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1CC(C[NH2+]CCC2CCCC2)C1 ZINC001570578532 1068018014 /nfs/dbraw/zinc/01/80/14/1068018014.db2.gz WLGBEWDDTMLEQA-UHFFFAOYSA-N 1 3 318.465 2.325 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCCCCF)[C@H]1C ZINC001571467090 1068317164 /nfs/dbraw/zinc/31/71/64/1068317164.db2.gz FRNBITVFBVCSKL-CABCVRRESA-N 1 3 301.450 2.045 20 0 DEADHO CC[C@H](C(=O)N(C)CC[NH2+]Cc1cc(C)ccc1C)N(C)C ZINC001267390846 1078824106 /nfs/dbraw/zinc/82/41/06/1078824106.db2.gz WDMWQGCTQSIHFK-QGZVFWFLSA-N 1 3 305.466 2.192 20 0 DEADHO CN(CCCC[NH+]1CCCCC1)C(=O)NC[C@@H]1CCCCN1C ZINC001521262220 1069224390 /nfs/dbraw/zinc/22/43/90/1069224390.db2.gz ZPBQEIALSHPVIO-KRWDZBQOSA-N 1 3 324.513 2.378 20 0 DEADHO Cc1nccn1-c1ccncc1NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001645584327 1078926718 /nfs/dbraw/zinc/92/67/18/1078926718.db2.gz YIIMQCFVIYUQJJ-STQMWFEESA-N 1 3 313.405 2.387 20 0 DEADHO CN(C)CCN1CC[C@@]2(CCC[N@H+](CC3CCC3)CC2)C1=O ZINC001272516711 1078944757 /nfs/dbraw/zinc/94/47/57/1078944757.db2.gz JHAFEBANWFZUSX-SFHVURJKSA-N 1 3 307.482 2.053 20 0 DEADHO CN(C)CCN1CC[C@@]2(CCC[N@@H+](CC3CCC3)CC2)C1=O ZINC001272516711 1078944763 /nfs/dbraw/zinc/94/47/63/1078944763.db2.gz JHAFEBANWFZUSX-SFHVURJKSA-N 1 3 307.482 2.053 20 0 DEADHO c1cc([C@@H]2OCCC[C@@H]2CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)n[nH]1 ZINC001548942981 1072954212 /nfs/dbraw/zinc/95/42/12/1072954212.db2.gz DZJNZLVERBININ-PNBKFKSVSA-N 1 3 304.438 2.094 20 0 DEADHO c1cc([C@@H]2OCCC[C@@H]2CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)n[nH]1 ZINC001548942981 1072954214 /nfs/dbraw/zinc/95/42/14/1072954214.db2.gz DZJNZLVERBININ-PNBKFKSVSA-N 1 3 304.438 2.094 20 0 DEADHO O=C(Nc1ccc2c(c1)CNCCO2)c1ccc2c(c1)C[NH2+]CC2 ZINC001549028047 1072988372 /nfs/dbraw/zinc/98/83/72/1072988372.db2.gz AYQXKHRCALFUAI-UHFFFAOYSA-N 1 3 323.396 2.067 20 0 DEADHO [NH3+]C[C@@]12CCC[C@@H]1CN(Cc1ccccc1N1CCOCC1)C2 ZINC001549087533 1073010086 /nfs/dbraw/zinc/01/00/86/1073010086.db2.gz PWOXUAKUIJGORQ-IEBWSBKVSA-N 1 3 315.461 2.084 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC1CC(S(=O)(=O)c2ccccc2)C1 ZINC001549922021 1073335465 /nfs/dbraw/zinc/33/54/65/1073335465.db2.gz WAYAXTMESUXAEW-DXCHVLGVSA-N 1 3 322.474 2.098 20 0 DEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1CC(S(=O)(=O)c2ccccc2)C1 ZINC001549922021 1073335468 /nfs/dbraw/zinc/33/54/68/1073335468.db2.gz WAYAXTMESUXAEW-DXCHVLGVSA-N 1 3 322.474 2.098 20 0 DEADHO [NH3+][C@@H]1C[C@@H]1c1ccc(NC(=O)[C@@H]2CNCc3ccccc32)cc1 ZINC001550097275 1073425736 /nfs/dbraw/zinc/42/57/36/1073425736.db2.gz UZLCBIGGHCOCJJ-KZNAEPCWSA-N 1 3 307.397 2.327 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1(NCc2ccsc2)CC1 ZINC001483793662 1079124209 /nfs/dbraw/zinc/12/42/09/1079124209.db2.gz KQRJOOAFZAESQH-OKILXGFUSA-N 1 3 321.490 2.359 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1(NCc2ccsc2)CC1 ZINC001483793662 1079124211 /nfs/dbraw/zinc/12/42/11/1079124211.db2.gz KQRJOOAFZAESQH-OKILXGFUSA-N 1 3 321.490 2.359 20 0 DEADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](N[C@@H](C)c1cncc(F)c1)[C@@H](O)C2 ZINC001550349864 1073607049 /nfs/dbraw/zinc/60/70/49/1073607049.db2.gz CBKWJXZFIMAIRB-BDISVTLVSA-N 1 3 321.440 2.351 20 0 DEADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](N[C@@H](C)c1cncc(F)c1)[C@@H](O)C2 ZINC001550349864 1073607050 /nfs/dbraw/zinc/60/70/50/1073607050.db2.gz CBKWJXZFIMAIRB-BDISVTLVSA-N 1 3 321.440 2.351 20 0 DEADHO Cc1cc(CN2CCC[C@@H]2CNC(=O)CC[NH+](C)C)cs1 ZINC001481055474 1079134454 /nfs/dbraw/zinc/13/44/54/1079134454.db2.gz GXPPYSZJCOZKIW-OAHLLOKOSA-N 1 3 309.479 2.089 20 0 DEADHO Cn1ccnc1[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCCN[C@@H]3C2(C)C)CCO1 ZINC001550474156 1073670883 /nfs/dbraw/zinc/67/08/83/1073670883.db2.gz UFRSTSDFHHBFRZ-OLMNGRFOSA-N 1 3 318.465 2.006 20 0 DEADHO Cn1ccnc1[C@@H]1C[C@H](N[C@@H]2[C@H]3CCC[NH2+][C@@H]3C2(C)C)CCO1 ZINC001550474156 1073670889 /nfs/dbraw/zinc/67/08/89/1073670889.db2.gz UFRSTSDFHHBFRZ-OLMNGRFOSA-N 1 3 318.465 2.006 20 0 DEADHO Nc1c(F)cccc1CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC001550705660 1073818485 /nfs/dbraw/zinc/81/84/85/1073818485.db2.gz ZIYUHWHQJUOEDM-NVXWUHKLSA-N 1 3 307.413 2.126 20 0 DEADHO CC(C)N(C)CC(=O)NC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001483977078 1079221572 /nfs/dbraw/zinc/22/15/72/1079221572.db2.gz TVAJKGHLJQWOIN-UHFFFAOYSA-N 1 3 317.477 2.498 20 0 DEADHO CC[C@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)[C@H]1CCOC1 ZINC001551387491 1074200104 /nfs/dbraw/zinc/20/01/04/1074200104.db2.gz BNQCHTRCMMWSNZ-NALMEZQBSA-N 1 3 310.482 2.425 20 0 DEADHO Cc1nn(C)cc1[C@@H](C)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001551388643 1074200569 /nfs/dbraw/zinc/20/05/69/1074200569.db2.gz HKJXQKAICFHJFK-MXWWQKGMSA-N 1 3 320.481 2.413 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]C2CCC(C)(N3CCOCC3)CC2)CN1C1CC1 ZINC001551393508 1074202730 /nfs/dbraw/zinc/20/27/30/1074202730.db2.gz ZLEIRDAALAQOBP-FXQQTDPRSA-N 1 3 321.509 2.235 20 0 DEADHO C[C@]1(CN2C[C@H]3COC[C@@]3(c3ccccc3)C2)CCC[NH2+]C1 ZINC001551401570 1074206038 /nfs/dbraw/zinc/20/60/38/1074206038.db2.gz VJRSSWPJMWDRPF-GBESFXJTSA-N 1 3 300.446 2.276 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001551425167 1074213682 /nfs/dbraw/zinc/21/36/82/1074213682.db2.gz LKVNNQKLIXRAMF-DMRKSPOLSA-N 1 3 307.482 2.048 20 0 DEADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC001551476814 1074233378 /nfs/dbraw/zinc/23/33/78/1074233378.db2.gz HUACJZBJEDNFMQ-LCMLCXGQSA-N 1 3 322.497 2.175 20 0 DEADHO CO[C@H]1C[C@H](CO)N(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001552061377 1074453156 /nfs/dbraw/zinc/45/31/56/1074453156.db2.gz RMUXDYBNXJGOTD-MOPGFXCFSA-N 1 3 318.461 2.254 20 0 DEADHO CCn1cc([C@H]2OCC[C@@H]2C[NH+]2CCC(N(C)C)CC2)cn1 ZINC001552515143 1074591077 /nfs/dbraw/zinc/59/10/77/1074591077.db2.gz JMBVDPCGUVBUSJ-PBHICJAKSA-N 1 3 306.454 2.007 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)NC[C@@H]1C[NH2+]Cc2ccccc21 ZINC001552584753 1074613923 /nfs/dbraw/zinc/61/39/23/1074613923.db2.gz QDPXTQOFLWVUDF-LPHOPBHVSA-N 1 3 321.424 2.224 20 0 DEADHO C[C@@H]1CN(C(=O)c2cccc3c2CNC3)CCN1c1cc[nH+]cc1 ZINC001552920061 1074695163 /nfs/dbraw/zinc/69/51/63/1074695163.db2.gz QFFVKTMGJVLCNV-CQSZACIVSA-N 1 3 322.412 2.036 20 0 DEADHO CC1(C)[C@@H]2NCCC[C@@H]2[C@H]1[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001553022246 1074737659 /nfs/dbraw/zinc/73/76/59/1074737659.db2.gz PVVNFTYGZXZMBZ-IGQOVBAYSA-N 1 3 319.415 2.237 20 0 DEADHO CC[NH+]1CCC(C)(CNC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001484143768 1079322038 /nfs/dbraw/zinc/32/20/38/1079322038.db2.gz PLFXVFFYKXTGBO-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001369280943 1148890304 /nfs/dbraw/zinc/89/03/04/1148890304.db2.gz BPDJAJIXNNDJKS-PBHICJAKSA-N 1 3 323.456 2.411 20 0 DEADHO C[NH2+][C@@H](C)CCNC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC001647226455 1074847781 /nfs/dbraw/zinc/84/77/81/1074847781.db2.gz HYNKXJNRUJFDAQ-INIZCTEOSA-N 1 3 320.481 2.066 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC001553548739 1074912458 /nfs/dbraw/zinc/91/24/58/1074912458.db2.gz IXYIMXNSJOEDMN-HOTGVXAUSA-N 1 3 322.497 2.082 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)N1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC001553556601 1074915638 /nfs/dbraw/zinc/91/56/38/1074915638.db2.gz YCQHXDNUTWXAFY-HOTGVXAUSA-N 1 3 322.497 2.164 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC(C(C)(C)C[NH+](C)C)CC1)N(C)C ZINC001647419645 1074921444 /nfs/dbraw/zinc/92/14/44/1074921444.db2.gz WPZWTPUUTIXVGL-INIZCTEOSA-N 1 3 311.514 2.399 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)s1 ZINC001553650259 1074974831 /nfs/dbraw/zinc/97/48/31/1074974831.db2.gz AWECCUKOFUEUDH-CZUORRHYSA-N 1 3 321.490 2.443 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)s1 ZINC001553650259 1074974833 /nfs/dbraw/zinc/97/48/33/1074974833.db2.gz AWECCUKOFUEUDH-CZUORRHYSA-N 1 3 321.490 2.443 20 0 DEADHO C[C@H](F)CC[NH2+]C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001566896056 1075006224 /nfs/dbraw/zinc/00/62/24/1075006224.db2.gz VGNPPMAZSIHISD-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@@H](F)CNCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001567570757 1075069543 /nfs/dbraw/zinc/06/95/43/1075069543.db2.gz GOWXAZLVIFTNKM-HUUCEWRRSA-N 1 3 301.450 2.045 20 0 DEADHO CC[C@@H](F)CNCCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001567570757 1075069547 /nfs/dbraw/zinc/06/95/47/1075069547.db2.gz GOWXAZLVIFTNKM-HUUCEWRRSA-N 1 3 301.450 2.045 20 0 DEADHO C[C@@H](Cc1ccno1)NCc1ccncc1OCCC[NH+](C)C ZINC001560864040 1075147481 /nfs/dbraw/zinc/14/74/81/1075147481.db2.gz MDJLFCNKXYXHFZ-AWEZNQCLSA-N 1 3 318.421 2.121 20 0 DEADHO CCCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001267709306 1079395613 /nfs/dbraw/zinc/39/56/13/1079395613.db2.gz QXCAFUJTHOOCHI-IKGGRYGDSA-N 1 3 307.482 2.336 20 0 DEADHO CCCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001267709306 1079395620 /nfs/dbraw/zinc/39/56/20/1079395620.db2.gz QXCAFUJTHOOCHI-IKGGRYGDSA-N 1 3 307.482 2.336 20 0 DEADHO CC[NH+](CC)C1CCN(C(=O)NCC2CCC3CC2CO3)CC1 ZINC001650084150 1079402743 /nfs/dbraw/zinc/40/27/43/1079402743.db2.gz SNYWXYBNUDVYAP-ZOBUZTSGSA-N 1 3 323.481 2.317 20 0 DEADHO [NH3+][C@@H]1CC[C@H](CC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC001580384622 1075913693 /nfs/dbraw/zinc/91/36/93/1075913693.db2.gz OPYWGLFJYHLREO-CGTJXYLNSA-N 1 3 315.461 2.457 20 0 DEADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1 ZINC001580651983 1075969187 /nfs/dbraw/zinc/96/91/87/1075969187.db2.gz PMNBQOVLCDSFGW-SPUZQDLCSA-N 1 3 319.493 2.430 20 0 DEADHO c1c(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)sc2c1CNCC2 ZINC001580888369 1076015279 /nfs/dbraw/zinc/01/52/79/1076015279.db2.gz YIDHVVQPKSUTAP-CQSZACIVSA-N 1 3 322.474 2.212 20 0 DEADHO CC(C)(C[NH3+])C1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001589277804 1076483094 /nfs/dbraw/zinc/48/30/94/1076483094.db2.gz CJNJEPHNCSHTSU-UHFFFAOYSA-N 1 3 314.437 2.064 20 0 DEADHO CC(C)(C[NH3+])C1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001589277804 1076483095 /nfs/dbraw/zinc/48/30/95/1076483095.db2.gz CJNJEPHNCSHTSU-UHFFFAOYSA-N 1 3 314.437 2.064 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCCN(C[C@H](F)CC)CC1 ZINC001484725736 1079750013 /nfs/dbraw/zinc/75/00/13/1079750013.db2.gz FFSOYRGWTKBSAR-CVEARBPZSA-N 1 3 315.477 2.437 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCCN(C[C@H](F)CC)CC1 ZINC001484725736 1079750023 /nfs/dbraw/zinc/75/00/23/1079750023.db2.gz FFSOYRGWTKBSAR-CVEARBPZSA-N 1 3 315.477 2.437 20 0 DEADHO CC[C@H](C(=O)N1CCC(CC)([NH2+]CCCF)CC1)N(C)C ZINC001484818937 1079812163 /nfs/dbraw/zinc/81/21/63/1079812163.db2.gz DQCHQDBPXAQMHU-CQSZACIVSA-N 1 3 301.450 2.047 20 0 DEADHO COCCOc1cccc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)c1 ZINC001651697839 1079826834 /nfs/dbraw/zinc/82/68/34/1079826834.db2.gz KCQCBCUTUBAJDS-BPQIPLTHSA-N 1 3 304.434 2.142 20 0 DEADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCCC1CCCC1 ZINC001484898873 1079850034 /nfs/dbraw/zinc/85/00/34/1079850034.db2.gz IRRYPVLAVYEOFI-WMLDXEAASA-N 1 3 318.465 2.359 20 0 DEADHO C[C@@H](NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CN(C)CCN1C ZINC001653132468 1079915307 /nfs/dbraw/zinc/91/53/07/1079915307.db2.gz WFCOMIXSPYBIOT-APWZRJJASA-N 1 3 322.541 2.007 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]C/C=C\Cl ZINC001268098528 1080070969 /nfs/dbraw/zinc/07/09/69/1080070969.db2.gz SYKXVXFNUXFLPS-MHVKHXTKSA-N 1 3 301.862 2.050 20 0 DEADHO COC1(C[NH2+]CCN2CCN(C)C(C)(C)C2)CCCCCC1 ZINC001657893401 1080188481 /nfs/dbraw/zinc/18/84/81/1080188481.db2.gz DUXORPWCGWJROQ-UHFFFAOYSA-N 1 3 311.514 2.341 20 0 DEADHO CC(C)=CCN1CC([C@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001485525620 1080282587 /nfs/dbraw/zinc/28/25/87/1080282587.db2.gz BAHUKTOPLPJQGO-HNNXBMFYSA-N 1 3 307.482 2.121 20 0 DEADHO C[N@H+](CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)CC1CC1 ZINC001660304276 1080305847 /nfs/dbraw/zinc/30/58/47/1080305847.db2.gz VZTOHDSPJXTUMU-KRWDZBQOSA-N 1 3 313.461 2.047 20 0 DEADHO C[N@@H+](CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)CC1CC1 ZINC001660304276 1080305852 /nfs/dbraw/zinc/30/58/52/1080305852.db2.gz VZTOHDSPJXTUMU-KRWDZBQOSA-N 1 3 313.461 2.047 20 0 DEADHO CC[N@H+](CCCNC(=O)CN1CC[C@@H](C)C1)CC1CC(C)C1 ZINC001660589022 1080363431 /nfs/dbraw/zinc/36/34/31/1080363431.db2.gz HWIGAVAKHHARFI-KLAILNCOSA-N 1 3 309.498 2.203 20 0 DEADHO CC[N@@H+](CCCNC(=O)CN1CC[C@@H](C)C1)CC1CC(C)C1 ZINC001660589022 1080363436 /nfs/dbraw/zinc/36/34/36/1080363436.db2.gz HWIGAVAKHHARFI-KLAILNCOSA-N 1 3 309.498 2.203 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCCN2CC)C1 ZINC001485707129 1080372439 /nfs/dbraw/zinc/37/24/39/1080372439.db2.gz SWGATNHHNKLSHH-YHUYYLMFSA-N 1 3 313.461 2.093 20 0 DEADHO CC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001481749139 1080437087 /nfs/dbraw/zinc/43/70/87/1080437087.db2.gz OVLFZSXKVIPUBG-LZDOZHLXSA-N 1 3 309.498 2.462 20 0 DEADHO CC/C=C\CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001481749139 1080437089 /nfs/dbraw/zinc/43/70/89/1080437089.db2.gz OVLFZSXKVIPUBG-LZDOZHLXSA-N 1 3 309.498 2.462 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001661497851 1080487859 /nfs/dbraw/zinc/48/78/59/1080487859.db2.gz GPGFAOHECAJVQJ-QAQDUYKDSA-N 1 3 307.482 2.456 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)C1C[NH+](CC2CCCC2)C1)N(C)C ZINC001409923301 1080498400 /nfs/dbraw/zinc/49/84/00/1080498400.db2.gz DVRXGNYHFWNNLJ-RHSMWYFYSA-N 1 3 309.498 2.199 20 0 DEADHO CCC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001661609928 1080499505 /nfs/dbraw/zinc/49/95/05/1080499505.db2.gz CVVAUNIUKCHFHR-MHJFZZRGSA-N 1 3 307.482 2.454 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2CC[C@H](C[NH2+]CCCF)CC2)CCC1 ZINC001272735543 1080515476 /nfs/dbraw/zinc/51/54/76/1080515476.db2.gz WVTRETLMLJCUHX-SHTZXODSSA-N 1 3 313.461 2.095 20 0 DEADHO CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1cccc(F)c1)N(C)C ZINC001268493109 1080628805 /nfs/dbraw/zinc/62/88/05/1080628805.db2.gz SFLPIXHIRYPTTI-INIZCTEOSA-N 1 3 309.429 2.104 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CC[N@H+](CC3=CCCCC3)C2)C1 ZINC001663620077 1080790312 /nfs/dbraw/zinc/79/03/12/1080790312.db2.gz KDPFCCCNJUMUML-AEFFLSMTSA-N 1 3 319.493 2.267 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001663620077 1080790316 /nfs/dbraw/zinc/79/03/16/1080790316.db2.gz KDPFCCCNJUMUML-AEFFLSMTSA-N 1 3 319.493 2.267 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001482141972 1080858256 /nfs/dbraw/zinc/85/82/56/1080858256.db2.gz HEFIQBZFBXPLMX-JKSUJKDBSA-N 1 3 317.477 2.179 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](CC[NH2+]CC2CC2)C1 ZINC001666172862 1081130603 /nfs/dbraw/zinc/13/06/03/1081130603.db2.gz MVQSFKQCTJBINI-ZWKOTPCHSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCC(F)(F)F)N(C)C ZINC001666454165 1081153079 /nfs/dbraw/zinc/15/30/79/1081153079.db2.gz YEJKSRHIPKRYCN-CHWSQXEVSA-N 1 3 323.403 2.106 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC1(C[NH2+]CCCF)CCCC1 ZINC001269545686 1081285598 /nfs/dbraw/zinc/28/55/98/1081285598.db2.gz YYIHACYSAJLQNQ-OAHLLOKOSA-N 1 3 313.461 2.237 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC/C=C\C[NH2+]CC2CCCCC2)C1 ZINC001669039566 1081422717 /nfs/dbraw/zinc/42/27/17/1081422717.db2.gz OJPPMEIXGSMOSD-OGZRUICASA-N 1 3 307.482 2.171 20 0 DEADHO CC(C)N(C)CC(=O)NC/C=C\C[NH2+]CC1CCC(C)CC1 ZINC001669206552 1081437737 /nfs/dbraw/zinc/43/77/37/1081437737.db2.gz FFSLAPLCCVMMJI-WAYWQWQTSA-N 1 3 309.498 2.415 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]CC1=CCCCC1)N(C)C ZINC001270507974 1081540424 /nfs/dbraw/zinc/54/04/24/1081540424.db2.gz QYFWOVUBJFUXHW-NVXWUHKLSA-N 1 3 309.498 2.415 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CCC2CC2)C1)N(C)C ZINC001270788288 1081713074 /nfs/dbraw/zinc/71/30/74/1081713074.db2.gz IJBBGFGSFZPQDZ-AEFFLSMTSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H](C[NH2+]CCCF)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC001482369704 1081767561 /nfs/dbraw/zinc/76/75/61/1081767561.db2.gz ZPGXNBBMUNUEAH-AWEZNQCLSA-N 1 3 309.429 2.158 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CCCF)C1 ZINC001674587144 1081891064 /nfs/dbraw/zinc/89/10/64/1081891064.db2.gz ADWPVPCZPWWFNW-GPANFISMSA-N 1 3 313.461 2.093 20 0 DEADHO CCCC[C@@H](CC)CN1CCC12CN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001271222727 1081993694 /nfs/dbraw/zinc/99/36/94/1081993694.db2.gz FCTPRYHNBRBITJ-SJORKVTESA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[C@@H](CC)CN1CCC12CN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001271222727 1081993699 /nfs/dbraw/zinc/99/36/99/1081993699.db2.gz FCTPRYHNBRBITJ-SJORKVTESA-N 1 3 321.509 2.441 20 0 DEADHO CN(CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)CC1=CCCCC1 ZINC001480875772 1082068145 /nfs/dbraw/zinc/06/81/45/1082068145.db2.gz UXUQNPIXIWPHCM-KRWDZBQOSA-N 1 3 307.482 2.409 20 0 DEADHO CN(CCNC(=O)CC[C@@H]1CCC[N@H+]1C)CC1=CCCCC1 ZINC001480875772 1082068151 /nfs/dbraw/zinc/06/81/51/1082068151.db2.gz UXUQNPIXIWPHCM-KRWDZBQOSA-N 1 3 307.482 2.409 20 0 DEADHO CC(C)[C@@H](C(=O)NCCN(C)CCc1ccccc1F)[NH+](C)C ZINC001480876930 1082075505 /nfs/dbraw/zinc/07/55/05/1082075505.db2.gz VWVTYVBSQHNNBX-KRWDZBQOSA-N 1 3 323.456 2.002 20 0 DEADHO CCC[NH2+]CC[C@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001271590633 1082087491 /nfs/dbraw/zinc/08/74/91/1082087491.db2.gz CKFFTHIEXWEAOT-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCN1C(C)C)C1CC1 ZINC001670469368 1082145389 /nfs/dbraw/zinc/14/53/89/1082145389.db2.gz IKRDDZJGPIHMRD-IAGOWNOFSA-N 1 3 309.498 2.390 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]([NH2+]CC1CCCC1)C(C)C ZINC001482568131 1082239338 /nfs/dbraw/zinc/23/93/38/1082239338.db2.gz OOJSKIHGXWIWNF-INIZCTEOSA-N 1 3 306.454 2.181 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]C/C=C/Cl)N(C)C ZINC001266870393 1082417906 /nfs/dbraw/zinc/41/79/06/1082417906.db2.gz JGXVYVPTFWEKFH-LUIPGBGBSA-N 1 3 301.862 2.050 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCCc1ccsc1 ZINC001266971209 1082483838 /nfs/dbraw/zinc/48/38/38/1082483838.db2.gz KFYBDIMCHMTTER-CABCVRRESA-N 1 3 323.506 2.117 20 0 DEADHO CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1csc(C)c1)N(C)C ZINC001483022887 1082628572 /nfs/dbraw/zinc/62/85/72/1082628572.db2.gz LOZIMOKQUDMMHS-IDTUSYRASA-N 1 3 309.479 2.159 20 0 DEADHO O=C(CN1CCCC1)NC/C=C\C[NH2+]Cc1cccc(Cl)c1 ZINC001483092661 1082702988 /nfs/dbraw/zinc/70/29/88/1082702988.db2.gz HWWPSTOFABFPQE-UPHRSURJSA-N 1 3 321.852 2.198 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]CC[C@H]1CC1(Cl)Cl)N(C)C ZINC001483140576 1082771698 /nfs/dbraw/zinc/77/16/98/1082771698.db2.gz NWGYTJVLPBOPHQ-GRYCIOLGSA-N 1 3 324.296 2.005 20 0 DEADHO Cc1noc(C)c1CN1CCC2(CC[N@@H+](CCN(C)C)C2)CC1 ZINC001276620758 1083518808 /nfs/dbraw/zinc/51/88/08/1083518808.db2.gz LLYQKKUTROXJHG-UHFFFAOYSA-N 1 3 320.481 2.141 20 0 DEADHO Cc1noc(C)c1CN1CCC2(CC[N@H+](CCN(C)C)C2)CC1 ZINC001276620758 1083518814 /nfs/dbraw/zinc/51/88/14/1083518814.db2.gz LLYQKKUTROXJHG-UHFFFAOYSA-N 1 3 320.481 2.141 20 0 DEADHO [NH3+]C[C@]1(O)CCCN(Cc2ccccc2Br)CC1 ZINC001205211456 1083823260 /nfs/dbraw/zinc/82/32/60/1083823260.db2.gz UVWYFNYTNVAJPA-AWEZNQCLSA-N 1 3 313.239 2.125 20 0 DEADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H](C)F ZINC001490976881 1083981112 /nfs/dbraw/zinc/98/11/12/1083981112.db2.gz LJEACHYKUSZKKZ-WZYMTQMTSA-N 1 3 313.461 2.188 20 0 DEADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H](C)F ZINC001490976881 1083981126 /nfs/dbraw/zinc/98/11/26/1083981126.db2.gz LJEACHYKUSZKKZ-WZYMTQMTSA-N 1 3 313.461 2.188 20 0 DEADHO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)c2cc3c(s2)CNCC3)cc1 ZINC001649043802 1083997571 /nfs/dbraw/zinc/99/75/71/1083997571.db2.gz ZYIOVBFIVOATAW-UONOGXRCSA-N 1 3 313.426 2.461 20 0 DEADHO CC/C=C\CCN1CC[C@@H]2C[C@@]21C(=O)N1CCC([NH+](C)C)CC1 ZINC001277528860 1084017360 /nfs/dbraw/zinc/01/73/60/1084017360.db2.gz AZCOHHKWUQSSEJ-AJZLDFLGSA-N 1 3 319.493 2.360 20 0 DEADHO CC/C=C\CCN1CC[C@@H]2C[C@@]21C(=O)NC1CC[NH+](C)CC1 ZINC001277527133 1084018286 /nfs/dbraw/zinc/01/82/86/1084018286.db2.gz VVHIJCBDIQOBOP-PHJPPKDOSA-N 1 3 305.466 2.018 20 0 DEADHO CC(C)CCCN1CC[C@H]2C[C@]21C(=O)NC1CC[NH+](C)CC1 ZINC001277533895 1084023383 /nfs/dbraw/zinc/02/33/83/1084023383.db2.gz ZRTBJAKVXNETAV-MAUKXSAKSA-N 1 3 307.482 2.097 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001491073897 1084055694 /nfs/dbraw/zinc/05/56/94/1084055694.db2.gz XTGTXXTXHALYDN-MELADBBJSA-N 1 3 317.424 2.000 20 0 DEADHO CCCC[NH2+]C[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001491181132 1084130798 /nfs/dbraw/zinc/13/07/98/1084130798.db2.gz HSJYPYFJHQSPQP-KRWDZBQOSA-N 1 3 309.498 2.347 20 0 DEADHO Cn1cncc1N[C@@]12CC[C@@]([NH2+]CCn3ccnc3)(C1)CCC2 ZINC001277769890 1084138778 /nfs/dbraw/zinc/13/87/78/1084138778.db2.gz YLWBFPREVKTZKO-SJORKVTESA-N 1 3 314.437 2.164 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001491251298 1084181912 /nfs/dbraw/zinc/18/19/12/1084181912.db2.gz LLCZJGJWQYYQBO-LSDHHAIUSA-N 1 3 313.461 2.190 20 0 DEADHO Cc1cc(C)c(CN2CCN(C3CC[NH2+]CC3)CC2)c(C)c1 ZINC001235700062 1084507129 /nfs/dbraw/zinc/50/71/29/1084507129.db2.gz XDXSBDMLMJKMFP-UHFFFAOYSA-N 1 3 301.478 2.481 20 0 DEADHO COc1ccc(CN(C)CCN2CC[NH2+]CC2)cc1C(C)C ZINC001236083954 1084610130 /nfs/dbraw/zinc/61/01/30/1084610130.db2.gz YVQGLKXFTHVSGN-UHFFFAOYSA-N 1 3 305.466 2.156 20 0 DEADHO Fc1cccc(CC2CC[NH+](CC[C@@H]3CNCCO3)CC2)c1 ZINC001236092145 1084611809 /nfs/dbraw/zinc/61/18/09/1084611809.db2.gz HWGPHTYPPXZRSU-GOSISDBHSA-N 1 3 306.425 2.459 20 0 DEADHO Fc1cccc(F)c1CN1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC001236143652 1084619717 /nfs/dbraw/zinc/61/97/17/1084619717.db2.gz ITEAAOVUYXVQEA-OAHLLOKOSA-N 1 3 323.431 2.472 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001485946581 1085012330 /nfs/dbraw/zinc/01/23/30/1085012330.db2.gz GCQQIQJNZOJJCW-GXTWGEPZSA-N 1 3 319.440 2.054 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccccc2)C(C)(C)C1 ZINC001486246647 1085163497 /nfs/dbraw/zinc/16/34/97/1085163497.db2.gz OSEVTWUNDGDYJZ-QGZVFWFLSA-N 1 3 317.477 2.355 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CCC1 ZINC000960866065 1085488105 /nfs/dbraw/zinc/48/81/05/1085488105.db2.gz RLFFIBXROQJJHM-WBVHZDCISA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC1 ZINC000960866065 1085488112 /nfs/dbraw/zinc/48/81/12/1085488112.db2.gz RLFFIBXROQJJHM-WBVHZDCISA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000961338547 1085695155 /nfs/dbraw/zinc/69/51/55/1085695155.db2.gz GCAQFESOWONLFA-DLBZAZTESA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000961338547 1085695150 /nfs/dbraw/zinc/69/51/50/1085695150.db2.gz GCAQFESOWONLFA-DLBZAZTESA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000961338561 1085695557 /nfs/dbraw/zinc/69/55/57/1085695557.db2.gz GCAQFESOWONLFA-SJORKVTESA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000961338561 1085695562 /nfs/dbraw/zinc/69/55/62/1085695562.db2.gz GCAQFESOWONLFA-SJORKVTESA-N 1 3 307.482 2.051 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN2CCC(c3cn[nH]c3)CC2)cc1 ZINC000420318642 1085999159 /nfs/dbraw/zinc/99/91/59/1085999159.db2.gz OEYCLYTVMIBTSP-MRXNPFEDSA-N 1 3 314.433 2.340 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NC1CC(C[NH2+]CC2=CCCCC2)C1 ZINC000962305376 1086058574 /nfs/dbraw/zinc/05/85/74/1086058574.db2.gz JVFJLAIZXANEQK-FAEJEUNOSA-N 1 3 319.493 2.456 20 0 DEADHO C[C@H]1CCCN1CC(=O)NC1CC(C[NH2+]Cc2ccccc2)C1 ZINC000962304621 1086059023 /nfs/dbraw/zinc/05/90/23/1086059023.db2.gz AAQFHDGTJWVQMX-ZLPCBKJTSA-N 1 3 315.461 2.155 20 0 DEADHO CN(C)CCN1CC[C@]2(CC[N@H+](CCCC3CCCC3)C2)C1=O ZINC001273100467 1086177197 /nfs/dbraw/zinc/17/71/97/1086177197.db2.gz ADJADPSPDHTRKS-IBGZPJMESA-N 1 3 321.509 2.443 20 0 DEADHO CN(C)CCN1CC[C@]2(CC[N@@H+](CCCC3CCCC3)C2)C1=O ZINC001273100467 1086177198 /nfs/dbraw/zinc/17/71/98/1086177198.db2.gz ADJADPSPDHTRKS-IBGZPJMESA-N 1 3 321.509 2.443 20 0 DEADHO CN1CCCC[C@@H](C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000700800910 1086335520 /nfs/dbraw/zinc/33/55/20/1086335520.db2.gz XMJKNPXAVHWMRU-NFOMZHRRSA-N 1 3 311.470 2.364 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+]CCCc1cccc(C)c1 ZINC001168755053 1086482277 /nfs/dbraw/zinc/48/22/77/1086482277.db2.gz GQIIWDXCUGVADU-UHFFFAOYSA-N 1 3 319.493 2.365 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]CC2=CCCCC2)CCC1)N(C)C ZINC001273186036 1087237020 /nfs/dbraw/zinc/23/70/20/1087237020.db2.gz HPOAWQUFQVTPRO-INIZCTEOSA-N 1 3 307.482 2.456 20 0 DEADHO CCC[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)CC1 ZINC000957559348 1088406669 /nfs/dbraw/zinc/40/66/69/1088406669.db2.gz GKFMUSSQOORFKR-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC[NH+]1CCC2(CCN(C(=O)CN3CCC(C)(C)C3)CC2)CC1 ZINC000957605717 1088452666 /nfs/dbraw/zinc/45/26/66/1088452666.db2.gz KQRMEDDXVUAHSE-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CCC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)CN3CC[C@@H](C)C3)[C@@H]2C1 ZINC001114831838 1088920250 /nfs/dbraw/zinc/92/02/50/1088920250.db2.gz GRTDQOIWLMMUGJ-UHOZYBFCSA-N 1 3 319.493 2.121 20 0 DEADHO CCC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)CN3CC[C@@H](C)C3)[C@@H]2C1 ZINC001114831838 1088920265 /nfs/dbraw/zinc/92/02/65/1088920265.db2.gz GRTDQOIWLMMUGJ-UHOZYBFCSA-N 1 3 319.493 2.121 20 0 DEADHO CCC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)CN3CC[C@@H](C)C3)[C@@H]2C1 ZINC001114831837 1088920387 /nfs/dbraw/zinc/92/03/87/1088920387.db2.gz GRTDQOIWLMMUGJ-UGFVRZLBSA-N 1 3 319.493 2.121 20 0 DEADHO CCC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)CN3CC[C@@H](C)C3)[C@@H]2C1 ZINC001114831837 1088920410 /nfs/dbraw/zinc/92/04/10/1088920410.db2.gz GRTDQOIWLMMUGJ-UGFVRZLBSA-N 1 3 319.493 2.121 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCC2)C1 ZINC001082507662 1089996444 /nfs/dbraw/zinc/99/64/44/1089996444.db2.gz ZWTIEIRWNQTPMW-KBAYOESNSA-N 1 3 321.509 2.486 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001084338524 1090270446 /nfs/dbraw/zinc/27/04/46/1090270446.db2.gz UMFIVYOQSRHMRN-IXDOHACOSA-N 1 3 307.482 2.192 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001084338524 1090270455 /nfs/dbraw/zinc/27/04/55/1090270455.db2.gz UMFIVYOQSRHMRN-IXDOHACOSA-N 1 3 307.482 2.192 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001084572176 1090332807 /nfs/dbraw/zinc/33/28/07/1090332807.db2.gz ZFGITGSPNUINFM-HZPDHXFCSA-N 1 3 307.482 2.194 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001084572176 1090332815 /nfs/dbraw/zinc/33/28/15/1090332815.db2.gz ZFGITGSPNUINFM-HZPDHXFCSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)CCC[N@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001410256318 1090482542 /nfs/dbraw/zinc/48/25/42/1090482542.db2.gz VKPUVFXVELZNDZ-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CCC[N@@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001410256318 1090482545 /nfs/dbraw/zinc/48/25/45/1090482545.db2.gz VKPUVFXVELZNDZ-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)CN(C)CC(C)(C)C ZINC001410308315 1090532552 /nfs/dbraw/zinc/53/25/52/1090532552.db2.gz IVYUGYYEKRFGLC-MRXNPFEDSA-N 1 3 311.514 2.447 20 0 DEADHO C[NH+](C)CCC(=O)N[C@@]12CCC[C@@H]1N(Cc1ccsc1)CC2 ZINC001410896205 1091200051 /nfs/dbraw/zinc/20/00/51/1091200051.db2.gz KDHRKPGYIYKYAU-DOTOQJQBSA-N 1 3 321.490 2.313 20 0 DEADHO COC(=O)[C@@H](C)C[NH+]1CCC(N(C)Cc2ccccc2)CC1 ZINC000717584620 1091204436 /nfs/dbraw/zinc/20/44/36/1091204436.db2.gz ITZJLAIKIUDFDU-HNNXBMFYSA-N 1 3 304.434 2.392 20 0 DEADHO CC(C)[C@H](C(=O)NC/C=C/C[NH2+]CC1=CCCCC1)N(C)C ZINC001274519106 1091282566 /nfs/dbraw/zinc/28/25/66/1091282566.db2.gz NLSGHTVZOOJMSX-KBOKABMXSA-N 1 3 307.482 2.335 20 0 DEADHO Cc1cc(F)cc(CN2CC[C@H]3C[N@@H+](CCN(C)C)C[C@H]32)c1 ZINC001274999355 1091509680 /nfs/dbraw/zinc/50/96/80/1091509680.db2.gz ZTZDKSRMQVCFBQ-FUHWJXTLSA-N 1 3 305.441 2.202 20 0 DEADHO Cc1cc(F)cc(CN2CC[C@H]3C[N@H+](CCN(C)C)C[C@H]32)c1 ZINC001274999355 1091509691 /nfs/dbraw/zinc/50/96/91/1091509691.db2.gz ZTZDKSRMQVCFBQ-FUHWJXTLSA-N 1 3 305.441 2.202 20 0 DEADHO Cc1ccncc1CN1CCC[C@]2(CC[N@@H+](CCN(C)C)C2)C1 ZINC001276197175 1091678283 /nfs/dbraw/zinc/67/82/83/1091678283.db2.gz GXHZYJOAEBCRHI-LJQANCHMSA-N 1 3 316.493 2.240 20 0 DEADHO Cc1ccncc1CN1CCC[C@]2(CC[N@H+](CCN(C)C)C2)C1 ZINC001276197175 1091678288 /nfs/dbraw/zinc/67/82/88/1091678288.db2.gz GXHZYJOAEBCRHI-LJQANCHMSA-N 1 3 316.493 2.240 20 0 DEADHO CN(C)CCN1CC2(CCC1=O)CC[NH+](CC(C)(C)C)CC2 ZINC001273532960 1091907024 /nfs/dbraw/zinc/90/70/24/1091907024.db2.gz RUFMKNSSGXLTGB-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCCC2CCC2)C1)C1CC1 ZINC001190652794 1091949925 /nfs/dbraw/zinc/94/99/25/1091949925.db2.gz AVDZGBLDSJCEPM-MSOLQXFVSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCC2)C1)C1CC1 ZINC001190652794 1091949935 /nfs/dbraw/zinc/94/99/35/1091949935.db2.gz AVDZGBLDSJCEPM-MSOLQXFVSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001488803432 1092756740 /nfs/dbraw/zinc/75/67/40/1092756740.db2.gz FRGUAFJTRCWQQF-WOVMCDHWSA-N 1 3 321.440 2.150 20 0 DEADHO CC[NH2+]C[C@@](C)(NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001495277410 1093118824 /nfs/dbraw/zinc/11/88/24/1093118824.db2.gz OWFGHOQOUBFVEZ-SJORKVTESA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC[N@H+](C)CC1CC(F)(F)C1)N(C)C ZINC001490270708 1093268657 /nfs/dbraw/zinc/26/86/57/1093268657.db2.gz FTJSMUXMIMOWBM-AWEZNQCLSA-N 1 3 319.440 2.056 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC[N@@H+](C)CC1CC(F)(F)C1)N(C)C ZINC001490270708 1093268666 /nfs/dbraw/zinc/26/86/66/1093268666.db2.gz FTJSMUXMIMOWBM-AWEZNQCLSA-N 1 3 319.440 2.056 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)C/C=C\Cl)C1 ZINC001490752847 1093506607 /nfs/dbraw/zinc/50/66/07/1093506607.db2.gz PYKJOVFRSAETFR-PYMSSDGJSA-N 1 3 313.873 2.004 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)C/C=C\Cl)C1 ZINC001490752847 1093506616 /nfs/dbraw/zinc/50/66/16/1093506616.db2.gz PYKJOVFRSAETFR-PYMSSDGJSA-N 1 3 313.873 2.004 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+]CCc1cccs1 ZINC001278005167 1138405666 /nfs/dbraw/zinc/40/56/66/1138405666.db2.gz JQUMGXLYRMVEHJ-HNNXBMFYSA-N 1 3 323.506 2.211 20 0 DEADHO Cc1cccc(NC(=O)NC[C@H]2CCC3(CCNCC3)[NH2+]2)c1C ZINC001239217189 1138990510 /nfs/dbraw/zinc/99/05/10/1138990510.db2.gz ROWPTPDWLCNJJA-OAHLLOKOSA-N 1 3 316.449 2.299 20 0 DEADHO Cc1cc(Cl)ccc1NC(=S)NCCC[NH2+]CCCN ZINC001239396616 1139034124 /nfs/dbraw/zinc/03/41/24/1139034124.db2.gz KOLVUBYMADYROZ-UHFFFAOYSA-N 1 3 314.886 2.263 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H](CC[NH2+]CCC2CC2)C1 ZINC001318861693 1140442868 /nfs/dbraw/zinc/44/28/68/1140442868.db2.gz UJCRHWFGPSEVKL-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CC1=CCCCC1 ZINC001319197525 1140524130 /nfs/dbraw/zinc/52/41/30/1140524130.db2.gz PMPHJYINANNCBV-OAHLLOKOSA-N 1 3 307.482 2.313 20 0 DEADHO C[C@H](C[NH2+]CCCCC(F)(F)F)N(C)C(=O)[C@@H]1CCCN1C ZINC001319436889 1140574120 /nfs/dbraw/zinc/57/41/20/1140574120.db2.gz NLRSNYHZIXLEAR-OLZOCXBDSA-N 1 3 323.403 2.250 20 0 DEADHO CCCC[C@@H](CC)COC[C@@H](O)C[NH2+][C@H]1CCCCNC1 ZINC001245986284 1140841962 /nfs/dbraw/zinc/84/19/62/1140841962.db2.gz XHCQBUQKQHGUEE-IKGGRYGDSA-N 1 3 300.487 2.312 20 0 DEADHO NC1(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)CCCCC1 ZINC001245992419 1140843132 /nfs/dbraw/zinc/84/31/32/1140843132.db2.gz IRLMSUKBMNOCMT-CQSZACIVSA-N 1 3 312.841 2.331 20 0 DEADHO O=C(c1ccccc1)N1CCC[C@@H](N[C@@H]2CCCC[NH2+]C2)CC1 ZINC001246089322 1140859475 /nfs/dbraw/zinc/85/94/75/1140859475.db2.gz COFPMWZLLGZHAK-QZTJIDSGSA-N 1 3 315.461 2.413 20 0 DEADHO C[C@@H]1CC[C@H](CN[C@@H]2CCCN(C(=O)c3ccccc3)C2)C[NH2+]1 ZINC001246096959 1140860770 /nfs/dbraw/zinc/86/07/70/1140860770.db2.gz NUWRQSNYMPJHNC-SOLBZPMBSA-N 1 3 315.461 2.269 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@H]1CN[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001246106768 1140861192 /nfs/dbraw/zinc/86/11/92/1140861192.db2.gz FPNWIFVHPBYUBL-SZMVWBNQSA-N 1 3 315.461 2.269 20 0 DEADHO CCOC(=O)[C@@H]1CC12CCC(NC[C@H]1CC[C@@H](C)C[NH2+]1)CC2 ZINC001246104950 1140861609 /nfs/dbraw/zinc/86/16/09/1140861609.db2.gz KYJLXENQRBHJIG-HCBPCCMXSA-N 1 3 308.466 2.476 20 0 DEADHO COc1cccc2c1C[C@@H](N[C@@]13CC[C@@]([NH3+])(C1)CCC3)CO2 ZINC001246342222 1140885809 /nfs/dbraw/zinc/88/58/09/1140885809.db2.gz RYZJTJDLMMVHKG-XWIAVFTESA-N 1 3 302.418 2.392 20 0 DEADHO Brc1cccc2c1C[C@@H]([NH2+][C@H]1CC13CNC3)CC2 ZINC001246447885 1140900263 /nfs/dbraw/zinc/90/02/63/1140900263.db2.gz XJSXQFNLLYHEKH-FZMZJTMJSA-N 1 3 307.235 2.258 20 0 DEADHO CCN(CC)C(=O)c1ccc(CC[NH2+][C@@H]2CCN[C@H](C)C2)cc1 ZINC001246487080 1140919321 /nfs/dbraw/zinc/91/93/21/1140919321.db2.gz ZFWNSNHSWWPWMY-CRAIPNDOSA-N 1 3 317.477 2.441 20 0 DEADHO CCN(CC)C(=O)c1ccc(CCN[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC001246487080 1140919337 /nfs/dbraw/zinc/91/93/37/1140919337.db2.gz ZFWNSNHSWWPWMY-CRAIPNDOSA-N 1 3 317.477 2.441 20 0 DEADHO CCN(CC[NH2+]C/C=C/Cl)C(=O)[C@@H]1CCCCN1CC ZINC001320929609 1140995381 /nfs/dbraw/zinc/99/53/81/1140995381.db2.gz TXYQLJXDFIYTMX-KGXGESDWSA-N 1 3 301.862 2.051 20 0 DEADHO CCCCC[C@@H](CCC)[N@@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246625965 1141011062 /nfs/dbraw/zinc/01/10/62/1141011062.db2.gz IQMZWNXNGNTIFG-CRAIPNDOSA-N 1 3 307.482 2.147 20 0 DEADHO CCCCC[C@@H](CCC)[N@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246625965 1141011072 /nfs/dbraw/zinc/01/10/72/1141011072.db2.gz IQMZWNXNGNTIFG-CRAIPNDOSA-N 1 3 307.482 2.147 20 0 DEADHO CN1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CCCCCC1 ZINC001320995927 1141022103 /nfs/dbraw/zinc/02/21/03/1141022103.db2.gz BAIQSLRAPOUBJQ-LXXRFIIISA-N 1 3 307.482 2.313 20 0 DEADHO C[C@@H]1C[C@H](N2CCC3(CC2)C(=O)N[C@H]3c2ccccc2)CC[NH2+]1 ZINC001246774309 1141055929 /nfs/dbraw/zinc/05/59/29/1141055929.db2.gz LTDFECBPWSABRY-OIISXLGYSA-N 1 3 313.445 2.080 20 0 DEADHO C[C@@H]1C[C@H]([NH+]2CCC3(CC2)C(=O)N[C@H]3c2ccccc2)CCN1 ZINC001246774309 1141055937 /nfs/dbraw/zinc/05/59/37/1141055937.db2.gz LTDFECBPWSABRY-OIISXLGYSA-N 1 3 313.445 2.080 20 0 DEADHO FC(F)(F)[C@@H]1CNCCN1[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246993443 1141230035 /nfs/dbraw/zinc/23/00/35/1141230035.db2.gz TVEMOMHFFYJUAL-KFWWJZLASA-N 1 3 313.367 2.316 20 0 DEADHO CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001322699219 1141687968 /nfs/dbraw/zinc/68/79/68/1141687968.db2.gz GFWKYBYCXHLXLU-KRWDZBQOSA-N 1 3 323.456 2.412 20 0 DEADHO CCCCC[NH+]1CCC(C)(NC(=O)Cc2nc[nH]c2C)CC1 ZINC001324343757 1142058738 /nfs/dbraw/zinc/05/87/38/1142058738.db2.gz SPNUCENQJZQWKH-UHFFFAOYSA-N 1 3 306.454 2.422 20 0 DEADHO CC1CCN(CCC[NH2+]C[C@H](O)COc2cccc(F)c2)CC1 ZINC001250821526 1142326561 /nfs/dbraw/zinc/32/65/61/1142326561.db2.gz COXNRSSMMHWPSI-KRWDZBQOSA-N 1 3 324.440 2.277 20 0 DEADHO Cc1ccccc1OC[C@@H](O)C[NH2+]CCCN1CCC(C)CC1 ZINC001251727989 1142498199 /nfs/dbraw/zinc/49/81/99/1142498199.db2.gz UPUAAVBFULKPPB-SFHVURJKSA-N 1 3 320.477 2.446 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3CC4(CCCC4)CC3=O)C[C@@H]2C1 ZINC001337804783 1142802659 /nfs/dbraw/zinc/80/26/59/1142802659.db2.gz GHULGHHFHPAPSB-IXDOHACOSA-N 1 3 319.493 2.399 20 0 DEADHO OC1(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CCN(Cc2ccccc2)CC1 ZINC001254039792 1143030477 /nfs/dbraw/zinc/03/04/77/1143030477.db2.gz KCYBKVLMFHQRHZ-BZSNNMDCSA-N 1 3 318.436 2.446 20 0 DEADHO OC1(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CCN(Cc2ccccc2)CC1 ZINC001254039792 1143030485 /nfs/dbraw/zinc/03/04/85/1143030485.db2.gz KCYBKVLMFHQRHZ-BZSNNMDCSA-N 1 3 318.436 2.446 20 0 DEADHO C[N@@H+]1CCC[C@@H](N2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC1 ZINC001254520438 1143188226 /nfs/dbraw/zinc/18/82/26/1143188226.db2.gz DLYKNVCFZXYIJW-VNQPRFMTSA-N 1 3 319.474 2.412 20 0 DEADHO C[N@H+]1CCC[C@@H](N2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC1 ZINC001254520438 1143188236 /nfs/dbraw/zinc/18/82/36/1143188236.db2.gz DLYKNVCFZXYIJW-VNQPRFMTSA-N 1 3 319.474 2.412 20 0 DEADHO Cc1ccnc(O[C@H]2CCC[N@@H+]([C@@H]3CCCN(C)CC3)C2)n1 ZINC001254530687 1143226352 /nfs/dbraw/zinc/22/63/52/1143226352.db2.gz AUWRRQNXKUKDFK-CVEARBPZSA-N 1 3 304.438 2.113 20 0 DEADHO Cc1ccnc(O[C@H]2CCC[N@H+]([C@@H]3CCCN(C)CC3)C2)n1 ZINC001254530687 1143226370 /nfs/dbraw/zinc/22/63/70/1143226370.db2.gz AUWRRQNXKUKDFK-CVEARBPZSA-N 1 3 304.438 2.113 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2c(s1)CNCC2 ZINC001340020546 1143235195 /nfs/dbraw/zinc/23/51/95/1143235195.db2.gz QRFGYFQISIOZGV-ZDUSSCGKSA-N 1 3 321.490 2.388 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc2c(s1)CNCC2 ZINC001340020546 1143235209 /nfs/dbraw/zinc/23/52/09/1143235209.db2.gz QRFGYFQISIOZGV-ZDUSSCGKSA-N 1 3 321.490 2.388 20 0 DEADHO C[NH2+]CCCCC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC001340297420 1143318675 /nfs/dbraw/zinc/31/86/75/1143318675.db2.gz MMMKNGZIVDVQJR-UHFFFAOYSA-N 1 3 309.429 2.106 20 0 DEADHO COc1ccc([C@H](CO)[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC001255669168 1143800460 /nfs/dbraw/zinc/80/04/60/1143800460.db2.gz RHBZBIZQLDXIGT-MMNRESRNSA-N 1 3 304.434 2.334 20 0 DEADHO CC(C)N1CCN(CC[NH2+][C@@H](C)Cc2ccc(F)cc2)CC1 ZINC001255860679 1143811347 /nfs/dbraw/zinc/81/13/47/1143811347.db2.gz MHLJWQCTMLKYGP-INIZCTEOSA-N 1 3 307.457 2.372 20 0 DEADHO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)c1ccc(Nc2ccncc2)cc1 ZINC001342627416 1143827484 /nfs/dbraw/zinc/82/74/84/1143827484.db2.gz AVHALFUBNYJGTE-KKUMJFAQSA-N 1 3 324.428 2.458 20 0 DEADHO Fc1cnccc1N(C1CC[NH2+]CC1)C1CCN(C2CC2)CC1 ZINC001256083403 1143829418 /nfs/dbraw/zinc/82/94/18/1143829418.db2.gz UOMPLGHYGNJCFF-UHFFFAOYSA-N 1 3 318.440 2.406 20 0 DEADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)COc2ccccc2)CC1 ZINC001256558374 1143853533 /nfs/dbraw/zinc/85/35/33/1143853533.db2.gz OHUDZWRNGUYMIK-INIZCTEOSA-N 1 3 306.450 2.279 20 0 DEADHO CCC(=O)N1CCC(C[NH2+]C2CCN(C(C)(C)C)CC2)CC1 ZINC001256565500 1143854194 /nfs/dbraw/zinc/85/41/94/1143854194.db2.gz JACOPZMVNWACQC-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO c1cc(CN2CCC(N3CC[C@H]([NH+]4CCCC4)C3)CC2)ccn1 ZINC001256591919 1143856204 /nfs/dbraw/zinc/85/62/04/1143856204.db2.gz ZKHMLPRHSPPBNA-IBGZPJMESA-N 1 3 314.477 2.216 20 0 DEADHO O[C@H](C[NH2+]C1CCC(N2CCOCC2)CC1)c1ccc(F)cc1 ZINC001256675620 1143861173 /nfs/dbraw/zinc/86/11/73/1143861173.db2.gz FQMPWLGLHKICDO-DAWZGUTISA-N 1 3 322.424 2.092 20 0 DEADHO Clc1cc(C[NH2+]C2CCC(N3CCOCC3)CC2)ccn1 ZINC001256678228 1143861503 /nfs/dbraw/zinc/86/15/03/1143861503.db2.gz UVQGHIDNJLXKJL-UHFFFAOYSA-N 1 3 309.841 2.468 20 0 DEADHO OC[C@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1cccs1 ZINC001256682789 1143862190 /nfs/dbraw/zinc/86/21/90/1143862190.db2.gz QKOVWLPRPFWHMY-NRXISQOPSA-N 1 3 310.463 2.015 20 0 DEADHO OC1CC2(C1)C[NH+](C1CCN(CCc3ccccc3)CC1)C2 ZINC001258141100 1143977595 /nfs/dbraw/zinc/97/75/95/1143977595.db2.gz TXDPFNAVHOLKFH-UHFFFAOYSA-N 1 3 300.446 2.150 20 0 DEADHO COCCC1([NH3+])CCN(C2CCN(c3ccccc3)CC2)CC1 ZINC001258507787 1144015375 /nfs/dbraw/zinc/01/53/75/1144015375.db2.gz STBVRQAHMHKVFQ-UHFFFAOYSA-N 1 3 317.477 2.485 20 0 DEADHO CCC[NH+]1CCC(N[C@H]2CCN(Cc3cccnc3)C2)CC1 ZINC001258769910 1144039237 /nfs/dbraw/zinc/03/92/37/1144039237.db2.gz PDADOEPQAMULOA-SFHVURJKSA-N 1 3 302.466 2.120 20 0 DEADHO COc1cc(C[C@H](C)N(C)C[C@H](C)C[NH3+])cc(OC)c1OC ZINC001258861851 1144047948 /nfs/dbraw/zinc/04/79/48/1144047948.db2.gz LBZASDWJKYKPOB-OLZOCXBDSA-N 1 3 310.438 2.170 20 0 DEADHO COc1cc(C[C@H](C)[N@H+](C)C[C@H](C)CN)cc(OC)c1OC ZINC001258861851 1144047951 /nfs/dbraw/zinc/04/79/51/1144047951.db2.gz LBZASDWJKYKPOB-OLZOCXBDSA-N 1 3 310.438 2.170 20 0 DEADHO COc1cc(C[C@H](C)[N@@H+](C)C[C@H](C)CN)cc(OC)c1OC ZINC001258861851 1144047955 /nfs/dbraw/zinc/04/79/55/1144047955.db2.gz LBZASDWJKYKPOB-OLZOCXBDSA-N 1 3 310.438 2.170 20 0 DEADHO CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@@H]2C1 ZINC001264651427 1144585793 /nfs/dbraw/zinc/58/57/93/1144585793.db2.gz CLFGDZJASJCSCK-KSZLIROESA-N 1 3 321.509 2.299 20 0 DEADHO CCCCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@@H]2C1 ZINC001264651427 1144585800 /nfs/dbraw/zinc/58/58/00/1144585800.db2.gz CLFGDZJASJCSCK-KSZLIROESA-N 1 3 321.509 2.299 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[N@H+](C)CC2=CCCCC2)C1 ZINC001265037122 1144629810 /nfs/dbraw/zinc/62/98/10/1144629810.db2.gz QIIKOUFKMOUXRA-MRXNPFEDSA-N 1 3 307.482 2.267 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[N@@H+](C)CC2=CCCCC2)C1 ZINC001265037122 1144629811 /nfs/dbraw/zinc/62/98/11/1144629811.db2.gz QIIKOUFKMOUXRA-MRXNPFEDSA-N 1 3 307.482 2.267 20 0 DEADHO CN1CCC[C@@H]1C(=O)NCCC[N@H+](Cc1ccsc1)C1CC1 ZINC001265170950 1144659563 /nfs/dbraw/zinc/65/95/63/1144659563.db2.gz HCJITUCHBYIWEV-MRXNPFEDSA-N 1 3 321.490 2.313 20 0 DEADHO CN1CCC[C@@H]1C(=O)NCCC[N@@H+](Cc1ccsc1)C1CC1 ZINC001265170950 1144659565 /nfs/dbraw/zinc/65/95/65/1144659565.db2.gz HCJITUCHBYIWEV-MRXNPFEDSA-N 1 3 321.490 2.313 20 0 DEADHO C[NH+](C)CCCCC(=O)N[C@H]1CCN(CC2=CCCCC2)C1 ZINC001265312488 1144690385 /nfs/dbraw/zinc/69/03/85/1144690385.db2.gz OXFGYGPGTSCGCJ-KRWDZBQOSA-N 1 3 307.482 2.409 20 0 DEADHO CC[NH+](CC)CC[C@@H](C)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC001364606246 1145374163 /nfs/dbraw/zinc/37/41/63/1145374163.db2.gz QNWDHJNWDMSDSF-WBVHZDCISA-N 1 3 324.513 2.423 20 0 DEADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(C(=O)NC4CC4)cc3)[C@@H]2C1 ZINC001364674488 1145447109 /nfs/dbraw/zinc/44/71/09/1145447109.db2.gz XUVAJZAVVHCNLG-JQHSSLGASA-N 1 3 313.445 2.009 20 0 DEADHO Cc1cc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)ccc1-n1cncn1 ZINC001364928999 1145685072 /nfs/dbraw/zinc/68/50/72/1145685072.db2.gz DDVBBVHRKLPYAF-BRWVUGGUSA-N 1 3 311.433 2.006 20 0 DEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CCCCN1C ZINC001365099406 1145801021 /nfs/dbraw/zinc/80/10/21/1145801021.db2.gz JNRPCQHEUQKTJC-TWMKSMIVSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CCCCN1C ZINC001365099406 1145801023 /nfs/dbraw/zinc/80/10/23/1145801023.db2.gz JNRPCQHEUQKTJC-TWMKSMIVSA-N 1 3 324.513 2.136 20 0 DEADHO C[N@@H+]1C[C@@]23CN(CC[C@@H]4COC(C)(C)O4)C[C@]2(C1)CCCC3 ZINC001365345430 1145853513 /nfs/dbraw/zinc/85/35/13/1145853513.db2.gz CNXPBTBWVCMBMD-NXHRZFHOSA-N 1 3 308.466 2.336 20 0 DEADHO C[N@H+]1C[C@@]23CN(CC[C@@H]4COC(C)(C)O4)C[C@]2(C1)CCCC3 ZINC001365345430 1145853514 /nfs/dbraw/zinc/85/35/14/1145853514.db2.gz CNXPBTBWVCMBMD-NXHRZFHOSA-N 1 3 308.466 2.336 20 0 DEADHO CCOC(=O)N1CCC(C)(C[NH2+]C[C@@H]2CN3CCC2CC3)CC1 ZINC001365616115 1145917730 /nfs/dbraw/zinc/91/77/30/1145917730.db2.gz CZSRIDWRMNGCAH-MRXNPFEDSA-N 1 3 323.481 2.176 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2C)C1 ZINC001365840060 1146024519 /nfs/dbraw/zinc/02/45/19/1146024519.db2.gz BNQPPJNHHDQZSO-SAABIXHNSA-N 1 3 317.477 2.321 20 0 DEADHO CCC/C=C/CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001491827706 1146905062 /nfs/dbraw/zinc/90/50/62/1146905062.db2.gz MUQVIBXDHUXXPI-SDKBWNRFSA-N 1 3 307.482 2.265 20 0 DEADHO C[C@H](NCCF)[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001365923504 1146911544 /nfs/dbraw/zinc/91/15/44/1146911544.db2.gz GHCUKXZGONIXAY-GOEBONIOSA-N 1 3 313.461 2.047 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](C)CC1CC2(CCC2)C1 ZINC001366594122 1147379095 /nfs/dbraw/zinc/37/90/95/1147379095.db2.gz CYLHKTPXHIELRE-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](C)CC1CC2(CCC2)C1 ZINC001366594122 1147379099 /nfs/dbraw/zinc/37/90/99/1147379099.db2.gz CYLHKTPXHIELRE-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@@H]1CCCN1C/C=C/c1ccccc1 ZINC001366682516 1147479650 /nfs/dbraw/zinc/47/96/50/1147479650.db2.gz YCPGAMJXRORHDT-OPUMOTSWSA-N 1 3 315.461 2.232 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@H+](C)CCC2CC2)CC1 ZINC001366873019 1147601392 /nfs/dbraw/zinc/60/13/92/1147601392.db2.gz OLRWVMGVZLOTHU-QGZVFWFLSA-N 1 3 307.482 2.051 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)CCC2CC2)CC1 ZINC001366873019 1147601393 /nfs/dbraw/zinc/60/13/93/1147601393.db2.gz OLRWVMGVZLOTHU-QGZVFWFLSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1cc(F)ccc1C ZINC001367117988 1147652281 /nfs/dbraw/zinc/65/22/81/1147652281.db2.gz KMRZEJJVMFMWTN-SJORKVTESA-N 1 3 323.456 2.459 20 0 DEADHO CC[C@@H](CNC(=O)CC[NH+](C)C)N[C@@H](C)c1ccccc1F ZINC001367129217 1147653961 /nfs/dbraw/zinc/65/39/61/1147653961.db2.gz SFOZXLITQJGXTP-KBPBESRZSA-N 1 3 309.429 2.323 20 0 DEADHO CCCN(C)CC(=O)N1CCC2(CC[N@H+](CC3CCC3)C2)CC1 ZINC001367231438 1147666891 /nfs/dbraw/zinc/66/68/91/1147666891.db2.gz VTWFQQFPINFLIZ-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CCCN(C)CC(=O)N1CCC2(CC[N@@H+](CC3CCC3)C2)CC1 ZINC001367231438 1147666893 /nfs/dbraw/zinc/66/68/93/1147666893.db2.gz VTWFQQFPINFLIZ-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C(C)C ZINC001367417053 1147691519 /nfs/dbraw/zinc/69/15/19/1147691519.db2.gz SPEBGLCEAFOKRI-MRXNPFEDSA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@H](F)C[NH2+][C@H](CNC(=O)C(C)(C)N1CCCC1)C(C)C ZINC001367476928 1147699832 /nfs/dbraw/zinc/69/98/32/1147699832.db2.gz BGDVOQCEWPODMS-LSDHHAIUSA-N 1 3 315.477 2.339 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1cc2ccccc2o1)N(C)C ZINC001367680532 1147726147 /nfs/dbraw/zinc/72/61/47/1147726147.db2.gz JMXAMAFUNUAQRW-CZUORRHYSA-N 1 3 317.433 2.367 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)cc1F ZINC001367706938 1147730308 /nfs/dbraw/zinc/73/03/08/1147730308.db2.gz DJJVBAZFQNENRL-PBHICJAKSA-N 1 3 323.456 2.315 20 0 DEADHO CC[C@@H](C)C[NH2+]CCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001317626275 1147734763 /nfs/dbraw/zinc/73/47/63/1147734763.db2.gz OWEDHTOLPDPHSV-PBHICJAKSA-N 1 3 315.477 2.293 20 0 DEADHO Cc1ccc(CCCN2CC[C@H]2CNC(=O)CC[NH+](C)C)cc1 ZINC001367966325 1147807183 /nfs/dbraw/zinc/80/71/83/1147807183.db2.gz QTXBLCIQOMPLRB-SFHVURJKSA-N 1 3 317.477 2.070 20 0 DEADHO CC(C)=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001324785388 1147844582 /nfs/dbraw/zinc/84/45/82/1147844582.db2.gz XPHAZWAEZVSIAD-AEFFLSMTSA-N 1 3 309.498 2.367 20 0 DEADHO CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001368061530 1147845374 /nfs/dbraw/zinc/84/53/74/1147845374.db2.gz HDGOXOFSODLCPM-GOSISDBHSA-N 1 3 309.498 2.443 20 0 DEADHO CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001368061530 1147845375 /nfs/dbraw/zinc/84/53/75/1147845375.db2.gz HDGOXOFSODLCPM-GOSISDBHSA-N 1 3 309.498 2.443 20 0 DEADHO CC(C)CC[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001325576754 1147954312 /nfs/dbraw/zinc/95/43/12/1147954312.db2.gz RCSYWNVYUQVZLZ-ROUUACIJSA-N 1 3 323.525 2.449 20 0 DEADHO CC[C@@H](F)C[NH2+]CC[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001326289626 1148070448 /nfs/dbraw/zinc/07/04/48/1148070448.db2.gz SAOOSBIJBZMWIX-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO CC/C=C\CC[NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001326368424 1148086013 /nfs/dbraw/zinc/08/60/13/1148086013.db2.gz ISEJKYQYMRPYNS-JZIMQPMSSA-N 1 3 304.438 2.137 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2ccccc2)C1)N(C)C ZINC001326411883 1148095163 /nfs/dbraw/zinc/09/51/63/1148095163.db2.gz OAEGUVWDDXFIRH-QZTJIDSGSA-N 1 3 317.477 2.355 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N2CCCC[C@@H]2CNCCF)CC1 ZINC001326747619 1148228669 /nfs/dbraw/zinc/22/86/69/1148228669.db2.gz ANIABQGNJRFZCV-MRXNPFEDSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@@H](C(=O)NC[C@]1(C)CCC[N@H+](CC2CCC2)C1)N(C)C ZINC001368227812 1148342620 /nfs/dbraw/zinc/34/26/20/1148342620.db2.gz LCEQZFSLEUAUAZ-WMZOPIPTSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)NC[C@]1(C)CCC[N@@H+](CC2CCC2)C1)N(C)C ZINC001368227812 1148342626 /nfs/dbraw/zinc/34/26/26/1148342626.db2.gz LCEQZFSLEUAUAZ-WMZOPIPTSA-N 1 3 309.498 2.345 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]Cc2c(C)nn(C)c2C)[C@H](C)C1 ZINC000151141941 282111654 /nfs/dbraw/zinc/11/16/54/282111654.db2.gz OSWSBIRPLGSXMH-KDOFPFPSSA-N 1 3 322.497 2.264 20 0 DEADHO CS[C@H]1CN(CCN2CCC(C)CC2)C[C@@H]1[NH+]1CCCC1 ZINC000358821939 295672120 /nfs/dbraw/zinc/67/21/20/295672120.db2.gz KHSJMWNISLFPHU-IRXDYDNUSA-N 1 3 311.539 2.230 20 0 DEADHO CN(C)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000371512489 282147218 /nfs/dbraw/zinc/14/72/18/282147218.db2.gz XIHGOVWLFNGJQZ-SJORKVTESA-N 1 3 301.434 2.105 20 0 DEADHO CN(C)Cc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000371512489 282147219 /nfs/dbraw/zinc/14/72/19/282147219.db2.gz XIHGOVWLFNGJQZ-SJORKVTESA-N 1 3 301.434 2.105 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N[C@@]1(C)CC[NH2+]C1)c1ccccc1 ZINC000612861823 361933777 /nfs/dbraw/zinc/93/37/77/361933777.db2.gz CZGOBBSWDNLDME-AEFFLSMTSA-N 1 3 318.465 2.121 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000176744995 282200670 /nfs/dbraw/zinc/20/06/70/282200670.db2.gz ICZDPZIGMLBSKI-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO CC[C@H](NC1CCN(c2cccc(C)n2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422752778 529585679 /nfs/dbraw/zinc/58/56/79/529585679.db2.gz DCHSXFJAJCYCGX-IRXDYDNUSA-N 1 3 302.466 2.479 20 0 DEADHO Cn1c2ccc(F)cc2nc1CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090038940 185279256 /nfs/dbraw/zinc/27/92/56/185279256.db2.gz JAEHFGNLBOHRSK-HUUCEWRRSA-N 1 3 316.424 2.471 20 0 DEADHO Cn1c2ccc(F)cc2nc1CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090038940 185279257 /nfs/dbraw/zinc/27/92/57/185279257.db2.gz JAEHFGNLBOHRSK-HUUCEWRRSA-N 1 3 316.424 2.471 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CC2)CCCC1 ZINC001421829337 1172023074 /nfs/dbraw/zinc/02/30/74/1172023074.db2.gz CABDVEXONGNRLY-MRXNPFEDSA-N 1 3 307.482 2.288 20 0 DEADHO C[C@@H]1C[C@H](NC[C@H](NC(=O)OC(C)(C)C)C2CC2)CC[N@@H+]1C ZINC000179531307 282228233 /nfs/dbraw/zinc/22/82/33/282228233.db2.gz MSBIEDGCJXDZFW-YUELXQCFSA-N 1 3 311.470 2.362 20 0 DEADHO C[C@@H]1C[C@H](NC[C@H](NC(=O)OC(C)(C)C)C2CC2)CC[N@H+]1C ZINC000179531307 282228238 /nfs/dbraw/zinc/22/82/38/282228238.db2.gz MSBIEDGCJXDZFW-YUELXQCFSA-N 1 3 311.470 2.362 20 0 DEADHO CN1CCC[C@H](CNC(=O)NCCCC[NH3+])[C@@H]1c1cccs1 ZINC000417744844 530061185 /nfs/dbraw/zinc/06/11/85/530061185.db2.gz YZBQKXXPRKFLCR-UKRRQHHQSA-N 1 3 324.494 2.169 20 0 DEADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H](N)CC2CCCCC2)C1 ZINC000423435027 282388412 /nfs/dbraw/zinc/38/84/12/282388412.db2.gz OJZPOTAYLXROKZ-ROUUACIJSA-N 1 3 321.509 2.474 20 0 DEADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H](N)CC2CCCCC2)C1 ZINC000423435027 282388414 /nfs/dbraw/zinc/38/84/14/282388414.db2.gz OJZPOTAYLXROKZ-ROUUACIJSA-N 1 3 321.509 2.474 20 0 DEADHO C[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1)N1[C@H](C)CC[C@@H]1C ZINC000615619061 362661085 /nfs/dbraw/zinc/66/10/85/362661085.db2.gz LVBQATNBQUQWDB-DFGXFYAUSA-N 1 3 307.482 2.192 20 0 DEADHO C[C@@H](C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1)N1[C@H](C)CC[C@@H]1C ZINC000615619061 362661088 /nfs/dbraw/zinc/66/10/88/362661088.db2.gz LVBQATNBQUQWDB-DFGXFYAUSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)[NH+](CCN(C)C(=O)N[C@H](C)C1=CCN(C)CC1)C(C)C ZINC000358075735 535059172 /nfs/dbraw/zinc/05/91/72/535059172.db2.gz JONJHVDRXPYLTC-MRXNPFEDSA-N 1 3 324.513 2.397 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000155667939 539560382 /nfs/dbraw/zinc/56/03/82/539560382.db2.gz GNYQAVWQENIMSF-KSSFIOAISA-N 1 3 305.441 2.429 20 0 DEADHO CC(C)C[C@@H]([NH3+])C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000164920693 539606243 /nfs/dbraw/zinc/60/62/43/539606243.db2.gz KBBMNVVUWDSHJH-QGZVFWFLSA-N 1 3 317.477 2.313 20 0 DEADHO Cc1n[nH]cc1[C@@H](C)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182272713 539656053 /nfs/dbraw/zinc/65/60/53/539656053.db2.gz YOHRBYMYBQJBFE-DYVFJYSZSA-N 1 3 314.433 2.136 20 0 DEADHO Cc1n[nH]cc1[C@@H](C)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182272713 539656056 /nfs/dbraw/zinc/65/60/56/539656056.db2.gz YOHRBYMYBQJBFE-DYVFJYSZSA-N 1 3 314.433 2.136 20 0 DEADHO CCN(CCN1CCO[C@H](C)C1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063211 366031662 /nfs/dbraw/zinc/03/16/62/366031662.db2.gz VVGQLQUAIXNVHP-QGZVFWFLSA-N 1 3 319.493 2.291 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000617349454 363104488 /nfs/dbraw/zinc/10/44/88/363104488.db2.gz OYFKLDGWQUFDQY-INIZCTEOSA-N 1 3 303.450 2.351 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000617349454 363104492 /nfs/dbraw/zinc/10/44/92/363104492.db2.gz OYFKLDGWQUFDQY-INIZCTEOSA-N 1 3 303.450 2.351 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)N1CCCCC1 ZINC000617350655 363105101 /nfs/dbraw/zinc/10/51/01/363105101.db2.gz AHJAPCFJPFNSMJ-HOTGVXAUSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)N1CCCCC1 ZINC000617350655 363105103 /nfs/dbraw/zinc/10/51/03/363105103.db2.gz AHJAPCFJPFNSMJ-HOTGVXAUSA-N 1 3 309.498 2.486 20 0 DEADHO CCC[N@H+](CCCn1c2ccccc2[nH]c1=O)C1CCNCC1 ZINC000319643182 539894115 /nfs/dbraw/zinc/89/41/15/539894115.db2.gz CNQDQMYHBWNRBD-UHFFFAOYSA-N 1 3 316.449 2.184 20 0 DEADHO CCC[N@@H+](CCCn1c2ccccc2[nH]c1=O)C1CCNCC1 ZINC000319643182 539894116 /nfs/dbraw/zinc/89/41/16/539894116.db2.gz CNQDQMYHBWNRBD-UHFFFAOYSA-N 1 3 316.449 2.184 20 0 DEADHO CC(C)[N@H+](C)C[C@H](O)CN1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000319893557 539894939 /nfs/dbraw/zinc/89/49/39/539894939.db2.gz KJEJRRJURGPMNJ-MLHJIOFPSA-N 1 3 312.498 2.093 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000319893557 539894944 /nfs/dbraw/zinc/89/49/44/539894944.db2.gz KJEJRRJURGPMNJ-MLHJIOFPSA-N 1 3 312.498 2.093 20 0 DEADHO C[C@H](C(=O)NC1CCC(C)CC1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431041518 237536456 /nfs/dbraw/zinc/53/64/56/237536456.db2.gz VKXMSGUQIKYFDI-HWOWSKLDSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000067685948 354774240 /nfs/dbraw/zinc/77/42/40/354774240.db2.gz IITVBCPMHTWONR-INIZCTEOSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000067685948 354774243 /nfs/dbraw/zinc/77/42/43/354774243.db2.gz IITVBCPMHTWONR-INIZCTEOSA-N 1 3 324.513 2.280 20 0 DEADHO CN1CC[C@@H]2CCN(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)[C@@H]2C1 ZINC000182175862 283065625 /nfs/dbraw/zinc/06/56/25/283065625.db2.gz OHBZRAQOQBDXJY-UKRRQHHQSA-N 1 3 322.497 2.031 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000073440816 191316370 /nfs/dbraw/zinc/31/63/70/191316370.db2.gz ZQCMCRTZOAJCQS-SJORKVTESA-N 1 3 318.465 2.073 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000073440816 191316373 /nfs/dbraw/zinc/31/63/73/191316373.db2.gz ZQCMCRTZOAJCQS-SJORKVTESA-N 1 3 318.465 2.073 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000073675878 191340237 /nfs/dbraw/zinc/34/02/37/191340237.db2.gz OKJACCVIPKKRMP-KRWDZBQOSA-N 1 3 324.513 2.282 20 0 DEADHO CCC[C@@H]([NH3+])C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000382695446 540123342 /nfs/dbraw/zinc/12/33/42/540123342.db2.gz JMJDYUUSUPVFCN-DOTOQJQBSA-N 1 3 303.450 2.237 20 0 DEADHO CC(C)C[C@H](C[NH3+])CC(=O)NCCN(C)Cc1ccccc1 ZINC000386848644 540127887 /nfs/dbraw/zinc/12/78/87/540127887.db2.gz YXQDZHBZYUJWBX-KRWDZBQOSA-N 1 3 305.466 2.246 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415572765 540160878 /nfs/dbraw/zinc/16/08/78/540160878.db2.gz NMXDYBFQQLTDAU-LSDHHAIUSA-N 1 3 304.438 2.182 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+][C@H]2CCCOC2)CC1 ZINC000088716311 355518359 /nfs/dbraw/zinc/51/83/59/355518359.db2.gz XGYMSYLAFPGSOO-KRWDZBQOSA-N 1 3 303.450 2.097 20 0 DEADHO C[C@@H](CCN(C)CC1(O)CCCC1)[N@H+](C)CC1(O)CCCC1 ZINC000443870962 540184395 /nfs/dbraw/zinc/18/43/95/540184395.db2.gz VWHJGPBIPXROIS-INIZCTEOSA-N 1 3 312.498 2.239 20 0 DEADHO C[C@@H](CCN(C)CC1(O)CCCC1)[N@@H+](C)CC1(O)CCCC1 ZINC000443870962 540184400 /nfs/dbraw/zinc/18/44/00/540184400.db2.gz VWHJGPBIPXROIS-INIZCTEOSA-N 1 3 312.498 2.239 20 0 DEADHO C[C@@H](CC[N@H+](C)CC1(O)CCCC1)N(C)CC1(O)CCCC1 ZINC000443870962 540184403 /nfs/dbraw/zinc/18/44/03/540184403.db2.gz VWHJGPBIPXROIS-INIZCTEOSA-N 1 3 312.498 2.239 20 0 DEADHO C[C@@H](CC[N@@H+](C)CC1(O)CCCC1)N(C)CC1(O)CCCC1 ZINC000443870962 540184407 /nfs/dbraw/zinc/18/44/07/540184407.db2.gz VWHJGPBIPXROIS-INIZCTEOSA-N 1 3 312.498 2.239 20 0 DEADHO CCc1ccccc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000119761634 355788000 /nfs/dbraw/zinc/78/80/00/355788000.db2.gz DHVIEWYGDMREBE-UHFFFAOYSA-N 1 3 306.454 2.206 20 0 DEADHO C[NH+](C)CC[C@@H](NC(=O)N[C@@H]1CCN(CC2CC2)C1)C(C)(C)C ZINC000116566547 355774784 /nfs/dbraw/zinc/77/47/84/355774784.db2.gz QYJUTFUFCNGASE-HZPDHXFCSA-N 1 3 324.513 2.136 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H]2C[C@@H](OC)C2(CC)CC)CC1 ZINC000181492633 356082647 /nfs/dbraw/zinc/08/26/47/356082647.db2.gz CFIZSNACLZURLJ-IAGOWNOFSA-N 1 3 311.514 2.197 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CCOCC2)CCN1C ZINC000180740130 291082954 /nfs/dbraw/zinc/08/29/54/291082954.db2.gz VJDNGZPDQAETEX-IRXDYDNUSA-N 1 3 309.498 2.094 20 0 DEADHO C[C@H]1CCCC[C@@H]1C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000183021792 356157047 /nfs/dbraw/zinc/15/70/47/356157047.db2.gz GIEYGSDLUSVHGI-DOTOQJQBSA-N 1 3 309.498 2.203 20 0 DEADHO CCN(C(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC)C(C)C ZINC000182533702 356130096 /nfs/dbraw/zinc/13/00/96/356130096.db2.gz QTBLDTOSDZIHDG-MRXNPFEDSA-N 1 3 312.502 2.185 20 0 DEADHO CCN(C(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC)C(C)C ZINC000182533702 356130100 /nfs/dbraw/zinc/13/01/00/356130100.db2.gz QTBLDTOSDZIHDG-MRXNPFEDSA-N 1 3 312.502 2.185 20 0 DEADHO C[C@@H](CCNC(=O)N(C)C[C@@H]1CCCN(C)C1)[NH+]1CCCCC1 ZINC000182689634 356139856 /nfs/dbraw/zinc/13/98/56/356139856.db2.gz JJWWHWSEOSHTAD-DLBZAZTESA-N 1 3 324.513 2.234 20 0 DEADHO [NH3+][C@@H](CCC(=O)NC1CCN(C2CC2)CC1)c1ccccc1 ZINC000237931404 356302310 /nfs/dbraw/zinc/30/23/10/356302310.db2.gz AIIRVPLBULVILL-KRWDZBQOSA-N 1 3 301.434 2.210 20 0 DEADHO Cc1ccc(NC(=O)C2CC[NH+](C)CC2)c(OCCN(C)C)c1 ZINC000081050449 192221639 /nfs/dbraw/zinc/22/16/39/192221639.db2.gz CXFWSOOFJRGDRG-UHFFFAOYSA-N 1 3 319.449 2.216 20 0 DEADHO O=C(CC[C@@H]1CCC[NH2+]C1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000302922178 356392764 /nfs/dbraw/zinc/39/27/64/356392764.db2.gz PITCHGYDSIXEPW-FUHWJXTLSA-N 1 3 315.461 2.157 20 0 DEADHO CN(C)Cc1ccccc1CNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000314715252 356418828 /nfs/dbraw/zinc/41/88/28/356418828.db2.gz UBFFLJOMFIHOTH-OAHLLOKOSA-N 1 3 303.450 2.144 20 0 DEADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@@H]1CCCCC[NH2+]1 ZINC000321962187 356450828 /nfs/dbraw/zinc/45/08/28/356450828.db2.gz GCLQEWXVWADGAN-ROUUACIJSA-N 1 3 315.461 2.472 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C[C@@H](N)c1ccccc1 ZINC000236910759 202067270 /nfs/dbraw/zinc/06/72/70/202067270.db2.gz BFDLKSLCESHOKG-IAGOWNOFSA-N 1 3 303.450 2.457 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C[C@@H](N)c1ccccc1 ZINC000236910759 202067273 /nfs/dbraw/zinc/06/72/73/202067273.db2.gz BFDLKSLCESHOKG-IAGOWNOFSA-N 1 3 303.450 2.457 20 0 DEADHO C[C@H]1CCN[C@H](C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000423788338 283204137 /nfs/dbraw/zinc/20/41/37/283204137.db2.gz DEQHOHGBTRISQJ-WMZOPIPTSA-N 1 3 321.509 2.489 20 0 DEADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1ccccc1CN(C)C ZINC000387417615 356704004 /nfs/dbraw/zinc/70/40/04/356704004.db2.gz FDWXSKAURWDBHD-INIZCTEOSA-N 1 3 305.466 2.389 20 0 DEADHO C[NH2+]CCCC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000237173868 202175422 /nfs/dbraw/zinc/17/54/22/202175422.db2.gz ZKJBFZGZFBJXBJ-KRWDZBQOSA-N 1 3 303.450 2.157 20 0 DEADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNCCC(N)=O)C1 ZINC000578064077 356755391 /nfs/dbraw/zinc/75/53/91/356755391.db2.gz REBCDHSAYVFNFG-GJZGRUSLSA-N 1 3 303.450 2.130 20 0 DEADHO CC(C)[NH2+]CCCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000578235852 356784911 /nfs/dbraw/zinc/78/49/11/356784911.db2.gz CTIAKABZJZOSTA-UHFFFAOYSA-N 1 3 317.477 2.403 20 0 DEADHO CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@H]3CCN3)ccc21 ZINC000578885649 356887722 /nfs/dbraw/zinc/88/77/22/356887722.db2.gz FMBHQHRFWYZRRJ-MRXNPFEDSA-N 1 3 314.433 2.284 20 0 DEADHO C[C@H](CN1CCN(c2ccccc2)CC1)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000578668611 356854591 /nfs/dbraw/zinc/85/45/91/356854591.db2.gz JIFWVDWDBWMPAS-KZNAEPCWSA-N 1 3 316.493 2.057 20 0 DEADHO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H](C)C1=CCN(C)CC1 ZINC000578742062 356865313 /nfs/dbraw/zinc/86/53/13/356865313.db2.gz WSJLCVHTIIDARG-SJLPKXTDSA-N 1 3 318.461 2.283 20 0 DEADHO Cc1nc(CN2CCC(C[NH2+][C@H]3CNCC[C@H]3C)CC2)oc1C ZINC000578994736 356904946 /nfs/dbraw/zinc/90/49/46/356904946.db2.gz MHPBIUQXSJLFGX-DYVFJYSZSA-N 1 3 320.481 2.091 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C[C@H](N)Cc1ccccc1 ZINC000580830997 357086672 /nfs/dbraw/zinc/08/66/72/357086672.db2.gz XJYKBDALVOAMID-SJLPKXTDSA-N 1 3 317.477 2.327 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C[C@H](N)Cc1ccccc1 ZINC000580830997 357086679 /nfs/dbraw/zinc/08/66/79/357086679.db2.gz XJYKBDALVOAMID-SJLPKXTDSA-N 1 3 317.477 2.327 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000581233474 357151602 /nfs/dbraw/zinc/15/16/02/357151602.db2.gz RJVWATFPDKVGQU-ILXRZTDVSA-N 1 3 310.486 2.031 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000581233474 357151606 /nfs/dbraw/zinc/15/16/06/357151606.db2.gz RJVWATFPDKVGQU-ILXRZTDVSA-N 1 3 310.486 2.031 20 0 DEADHO [NH3+]CCC[C@H](NC(=O)[C@@H]1CNCc2ccccc21)c1ccccc1 ZINC000581547489 357204802 /nfs/dbraw/zinc/20/48/02/357204802.db2.gz FMNQQIMYQUETIX-MOPGFXCFSA-N 1 3 323.440 2.470 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418716611 283245874 /nfs/dbraw/zinc/24/58/74/283245874.db2.gz JFVHRPALVGBOGK-IRXDYDNUSA-N 1 3 324.513 2.411 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@H](C)CCCC[NH3+] ZINC000418667684 283246615 /nfs/dbraw/zinc/24/66/15/283246615.db2.gz FRJXVAUOAGJLMT-MRXNPFEDSA-N 1 3 312.502 2.411 20 0 DEADHO CC(C)(C[C@H]1CCCN(C2CC[NH+](CC3CC3)CC2)C1)C(N)=O ZINC000584702349 357293178 /nfs/dbraw/zinc/29/31/78/357293178.db2.gz DGKDIADYDOELQF-MRXNPFEDSA-N 1 3 321.509 2.474 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000590787306 357612390 /nfs/dbraw/zinc/61/23/90/357612390.db2.gz ZFLLLAPGMHUGBH-SFHVURJKSA-N 1 3 320.477 2.479 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000590787306 357612396 /nfs/dbraw/zinc/61/23/96/357612396.db2.gz ZFLLLAPGMHUGBH-SFHVURJKSA-N 1 3 320.477 2.479 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000449347515 283274656 /nfs/dbraw/zinc/27/46/56/283274656.db2.gz IOYXUASDPUABRV-IIDMSEBBSA-N 1 3 315.461 2.184 20 0 DEADHO CCCc1ccc(C[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000591718842 357753615 /nfs/dbraw/zinc/75/36/15/357753615.db2.gz GBDKRXXACMJTEJ-GOSISDBHSA-N 1 3 317.477 2.316 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(Cl)nc2)CC1 ZINC000179104472 198984285 /nfs/dbraw/zinc/98/42/85/198984285.db2.gz PGVYRZOTQRYZSX-CQSZACIVSA-N 1 3 310.873 2.413 20 0 DEADHO CCN(C(=O)NCC1(C[NH+](C)C)CCCC1)[C@@H]1CCN(CC)C1 ZINC000664662844 540347527 /nfs/dbraw/zinc/34/75/27/540347527.db2.gz QLGDFGBXQZCPED-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)C2CCN(C3CC3)CC2)C1 ZINC000494283429 283316588 /nfs/dbraw/zinc/31/65/88/283316588.db2.gz WIEWIKFSRRILHK-INIZCTEOSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)C2CCN(C3CC3)CC2)C1 ZINC000494283429 283316591 /nfs/dbraw/zinc/31/65/91/283316591.db2.gz WIEWIKFSRRILHK-INIZCTEOSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN1CC[C@@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000666926225 540364599 /nfs/dbraw/zinc/36/45/99/540364599.db2.gz LYQJWXWNUVSDRC-SJORKVTESA-N 1 3 322.497 2.131 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000666928379 540365255 /nfs/dbraw/zinc/36/52/55/540365255.db2.gz KKXUYHMDNRWZHG-MRXNPFEDSA-N 1 3 310.486 2.082 20 0 DEADHO O=C1O[C@]2(CN1CN1CCC[C@@H]1C1CCC1)C[NH+]1CCC2CC1 ZINC000496213826 283383472 /nfs/dbraw/zinc/38/34/72/283383472.db2.gz FHOYWYJMWLJWLH-AEFFLSMTSA-N 1 3 319.449 2.125 20 0 DEADHO CC[NH+](CC)CCSCC(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000597924840 359043830 /nfs/dbraw/zinc/04/38/30/359043830.db2.gz SLQWGHXJADGGMU-AWEZNQCLSA-N 1 3 315.527 2.050 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000237438738 202266059 /nfs/dbraw/zinc/26/60/59/202266059.db2.gz APRQXLGQPRAMDO-SZMVWBNQSA-N 1 3 315.461 2.237 20 0 DEADHO CN1CC[C@@]2(CC[N@H+](Cc3ccc(O[C@H]4CCOC4)cc3)C2)C1 ZINC000668188807 540611058 /nfs/dbraw/zinc/61/10/58/540611058.db2.gz PEKDFTXYVJSHMU-RBUKOAKNSA-N 1 3 316.445 2.382 20 0 DEADHO CN1CC[C@@]2(CC[N@@H+](Cc3ccc(O[C@H]4CCOC4)cc3)C2)C1 ZINC000668188807 540611060 /nfs/dbraw/zinc/61/10/60/540611060.db2.gz PEKDFTXYVJSHMU-RBUKOAKNSA-N 1 3 316.445 2.382 20 0 DEADHO CC(C)c1cccc(C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000668302952 540642723 /nfs/dbraw/zinc/64/27/23/540642723.db2.gz VHXGZCXLFGWOBH-UHFFFAOYSA-N 1 3 305.466 2.375 20 0 DEADHO C[C@@H](C(=O)NCCC1CC[NH+](C)CC1)[C@H](N)c1ccccc1 ZINC000237705313 202333389 /nfs/dbraw/zinc/33/33/89/202333389.db2.gz MLGQBHSRQSZSDD-PBHICJAKSA-N 1 3 303.450 2.171 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NCCC[NH+]1CCCCC1 ZINC000433157481 237570953 /nfs/dbraw/zinc/57/09/53/237570953.db2.gz MOOOYKPGXVQKIQ-UHFFFAOYSA-N 1 3 303.450 2.354 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)C3(N)CC3)cc2)C1 ZINC000237686607 202329010 /nfs/dbraw/zinc/32/90/10/202329010.db2.gz BNRHZMVCFIXZKA-GASCZTMLSA-N 1 3 315.461 2.272 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)C3(N)CC3)cc2)C1 ZINC000237686607 202329016 /nfs/dbraw/zinc/32/90/16/202329016.db2.gz BNRHZMVCFIXZKA-GASCZTMLSA-N 1 3 315.461 2.272 20 0 DEADHO Cc1ccccc1CN1CCC(NC(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000237728078 202340167 /nfs/dbraw/zinc/34/01/67/202340167.db2.gz PKQCJBIHHJWPOU-SFHVURJKSA-N 1 3 315.461 2.218 20 0 DEADHO COC[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)C1CCOCC1 ZINC000668463434 540669565 /nfs/dbraw/zinc/66/95/65/540669565.db2.gz ZPYGNQJDNUPJNP-GOSISDBHSA-N 1 3 319.449 2.082 20 0 DEADHO N[C@@H](CC(=O)NCCC[NH+]1CCCCCC1)c1ccccc1 ZINC000237884066 202378902 /nfs/dbraw/zinc/37/89/02/202378902.db2.gz DSWIOJGTMICPDT-KRWDZBQOSA-N 1 3 303.450 2.459 20 0 DEADHO [NH3+]C1(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000237913648 202390135 /nfs/dbraw/zinc/39/01/35/202390135.db2.gz AIRCOXOXPKEQHC-UHFFFAOYSA-N 1 3 321.852 2.160 20 0 DEADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc(F)cc(F)c1 ZINC000189288165 200376579 /nfs/dbraw/zinc/37/65/79/200376579.db2.gz HCMDVYORAMWLDF-UHFFFAOYSA-N 1 3 311.420 2.423 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)cc1 ZINC000668706242 540714076 /nfs/dbraw/zinc/71/40/76/540714076.db2.gz RAVXARJKXRBBQS-DLBZAZTESA-N 1 3 304.434 2.095 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+]2CC[C@H]3COC[C@H]3C2)cc1 ZINC000668706242 540714080 /nfs/dbraw/zinc/71/40/80/540714080.db2.gz RAVXARJKXRBBQS-DLBZAZTESA-N 1 3 304.434 2.095 20 0 DEADHO C[C@@H]1C[N@H+](Cc2ccc(OCCN(C)C)cc2)C[C@]1(C)CO ZINC000668738091 540721221 /nfs/dbraw/zinc/72/12/21/540721221.db2.gz FRBPKILLIGABOS-CRAIPNDOSA-N 1 3 306.450 2.077 20 0 DEADHO C[C@@H]1C[N@@H+](Cc2ccc(OCCN(C)C)cc2)C[C@]1(C)CO ZINC000668738091 540721223 /nfs/dbraw/zinc/72/12/23/540721223.db2.gz FRBPKILLIGABOS-CRAIPNDOSA-N 1 3 306.450 2.077 20 0 DEADHO C[C@@H](NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)[C@H](C)[NH3+] ZINC000669483533 540841681 /nfs/dbraw/zinc/84/16/81/540841681.db2.gz AQLVAQBWFPTRGH-UXLLHSPISA-N 1 3 318.465 2.249 20 0 DEADHO C[NH2+]CCCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669483620 540841886 /nfs/dbraw/zinc/84/18/86/540841886.db2.gz DVDFEKALAUMUJN-QGZVFWFLSA-N 1 3 318.465 2.122 20 0 DEADHO CC(C)(C[NH3+])NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669483593 540841954 /nfs/dbraw/zinc/84/19/54/540841954.db2.gz CBTJJRHRVGXJDI-INIZCTEOSA-N 1 3 318.465 2.250 20 0 DEADHO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC1=CCN(C)CC1 ZINC000271909354 209315857 /nfs/dbraw/zinc/31/58/57/209315857.db2.gz XPZPDUGLWLCJKE-ZDUSSCGKSA-N 1 3 305.397 2.394 20 0 DEADHO CC[C@@H](C)N[C@H](CNC(=O)N1CCC(C)([NH3+])CC1)c1ccco1 ZINC000669584118 540869199 /nfs/dbraw/zinc/86/91/99/540869199.db2.gz GXWRTCXWGQGXKD-ZIAGYGMSSA-N 1 3 322.453 2.232 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@H]1CCC[N@H+](C)C1)c1ccco1 ZINC000672754242 541060646 /nfs/dbraw/zinc/06/06/46/541060646.db2.gz XIXYTKLTVPRUDD-KKUMJFAQSA-N 1 3 322.453 2.102 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccco1 ZINC000672754242 541060649 /nfs/dbraw/zinc/06/06/49/541060649.db2.gz XIXYTKLTVPRUDD-KKUMJFAQSA-N 1 3 322.453 2.102 20 0 DEADHO CC[C@@H](CN1CCCC1)NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000675194527 541299980 /nfs/dbraw/zinc/29/99/80/541299980.db2.gz SENLRZCZVIBHOE-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO CC[C@@H](CN1CCCC1)NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000675194527 541299985 /nfs/dbraw/zinc/29/99/85/541299985.db2.gz SENLRZCZVIBHOE-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000675197205 541300846 /nfs/dbraw/zinc/30/08/46/541300846.db2.gz LNFAKZQVZVBCJK-SJORKVTESA-N 1 3 322.497 2.131 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000675196895 541301242 /nfs/dbraw/zinc/30/12/42/541301242.db2.gz HUPUOYXXUMKQCZ-SJORKVTESA-N 1 3 322.497 2.131 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)N(CC)CC ZINC000621105829 364256777 /nfs/dbraw/zinc/25/67/77/364256777.db2.gz YVWWOCUIEZJZIL-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)N(CC)CC ZINC000621105829 364256780 /nfs/dbraw/zinc/25/67/80/364256780.db2.gz YVWWOCUIEZJZIL-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H]1[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)CCCN1C ZINC000343846029 291308513 /nfs/dbraw/zinc/30/85/13/291308513.db2.gz JGWISEKKPAVWPG-WMLDXEAASA-N 1 3 322.497 2.175 20 0 DEADHO O=C(CC[C@@H]1CCC[NH2+]C1)N1CCN(C2CCCCC2)CC1 ZINC000621656317 364491014 /nfs/dbraw/zinc/49/10/14/364491014.db2.gz MEMHKVDVMXXZSX-INIZCTEOSA-N 1 3 307.482 2.243 20 0 DEADHO CC(=O)N1CC[C@@H](N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000621742507 364533754 /nfs/dbraw/zinc/53/37/54/364533754.db2.gz YMNXWQGDRKCMKB-KFKAGJAMSA-N 1 3 315.461 2.107 20 0 DEADHO CC(=O)N1CC[C@@H](N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000621742507 364533761 /nfs/dbraw/zinc/53/37/61/364533761.db2.gz YMNXWQGDRKCMKB-KFKAGJAMSA-N 1 3 315.461 2.107 20 0 DEADHO N[C@@]12CCC[C@@H]1C[N@H+](CCC(=O)NCc1ccccc1Cl)C2 ZINC000621780334 364542917 /nfs/dbraw/zinc/54/29/17/364542917.db2.gz QTBYRAARXBJQBY-RHSMWYFYSA-N 1 3 321.852 2.160 20 0 DEADHO N[C@@]12CCC[C@@H]1C[N@@H+](CCC(=O)NCc1ccccc1Cl)C2 ZINC000621780334 364542926 /nfs/dbraw/zinc/54/29/26/364542926.db2.gz QTBYRAARXBJQBY-RHSMWYFYSA-N 1 3 321.852 2.160 20 0 DEADHO C[C@@H](NC1CC1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000449073229 240010746 /nfs/dbraw/zinc/01/07/46/240010746.db2.gz RTPMKGPLMXGALN-OAHLLOKOSA-N 1 3 315.461 2.429 20 0 DEADHO C[C@@H]1C[C@@H](NCc2ccncc2OCCC[NH+](C)C)[C@H](C)O1 ZINC000449328934 240374251 /nfs/dbraw/zinc/37/42/51/240374251.db2.gz LTOWAWHESHYSIA-IJEWVQPXSA-N 1 3 307.438 2.068 20 0 DEADHO O[C@H]1CCC[C@@H]1[NH+]1CCC(NCc2cccc3n[nH]cc32)CC1 ZINC000623453565 365035017 /nfs/dbraw/zinc/03/50/17/365035017.db2.gz VFPYCHIZACJBDM-ROUUACIJSA-N 1 3 314.433 2.030 20 0 DEADHO C[NH+](C)C1CCC(NCc2cn(-c3ccc(F)cc3)nn2)CC1 ZINC000623553171 365074879 /nfs/dbraw/zinc/07/48/79/365074879.db2.gz ILDHHKQCJUNCOQ-UHFFFAOYSA-N 1 3 317.412 2.369 20 0 DEADHO COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)CO2 ZINC000624123660 365297540 /nfs/dbraw/zinc/29/75/40/365297540.db2.gz PXBYYZUJYZSSOX-HOCLYGCPSA-N 1 3 304.434 2.320 20 0 DEADHO O[C@H](CN[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)C[NH+]1CCCC1 ZINC000629575476 367258395 /nfs/dbraw/zinc/25/83/95/367258395.db2.gz SFPAVACJQUTVEJ-KURKYZTESA-N 1 3 322.424 2.092 20 0 DEADHO CN(CCOCC[NH3+])Cc1cccc(OCC(F)(F)F)c1 ZINC000629579342 367258639 /nfs/dbraw/zinc/25/86/39/367258639.db2.gz SJBVJKLDAWIKDN-UHFFFAOYSA-N 1 3 306.328 2.035 20 0 DEADHO Cc1cc(CN(C)CCOCC[NH3+])cc(C)c1OC(F)F ZINC000629660917 367290961 /nfs/dbraw/zinc/29/09/61/367290961.db2.gz AKVNEWPQSDCELC-UHFFFAOYSA-N 1 3 302.365 2.312 20 0 DEADHO CNCC(=O)Nc1ccc(-c2cc(C[NH+](C)C)ccc2F)cn1 ZINC000629736442 367319729 /nfs/dbraw/zinc/31/97/29/367319729.db2.gz GSUXMGFARHXLBP-UHFFFAOYSA-N 1 3 316.380 2.107 20 0 DEADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cn[nH]c1 ZINC000678286021 541706941 /nfs/dbraw/zinc/70/69/41/541706941.db2.gz VBBMIPVGBQVDCV-UHFFFAOYSA-N 1 3 319.497 2.038 20 0 DEADHO C[NH2+][C@H]1CCCN(C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000261782936 203116437 /nfs/dbraw/zinc/11/64/37/203116437.db2.gz SRCJFIPWHAGPBV-SFHVURJKSA-N 1 3 315.461 2.109 20 0 DEADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000261822161 203126097 /nfs/dbraw/zinc/12/60/97/203126097.db2.gz ATGBLXHOYTVKHK-UAGQMJEPSA-N 1 3 305.466 2.415 20 0 DEADHO C[C@H]([NH2+][C@H](CO)CC1CC1)c1cccc(OCCN(C)C)c1 ZINC000678606983 541749511 /nfs/dbraw/zinc/74/95/11/541749511.db2.gz MLJFPESJJDSMLH-YOEHRIQHSA-N 1 3 306.450 2.439 20 0 DEADHO CCC[C@@](C)([NH3+])C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000262015897 203174783 /nfs/dbraw/zinc/17/47/83/203174783.db2.gz WZPJMIMTPSJTDG-SJLPKXTDSA-N 1 3 303.450 2.457 20 0 DEADHO C[NH2+]CCC1CCN(C(=O)[C@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000262047988 203182511 /nfs/dbraw/zinc/18/25/11/203182511.db2.gz MFQRGEGQIDOPMT-RHSMWYFYSA-N 1 3 303.450 2.171 20 0 DEADHO CCC[C@](C)(N)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000262243190 203238164 /nfs/dbraw/zinc/23/81/64/203238164.db2.gz APGRWRXWKBTYJN-SFHVURJKSA-N 1 3 303.450 2.416 20 0 DEADHO C[C@H](C(=O)NCC1([NH+](C)C)CCCC1)[C@@H](N)c1ccccc1 ZINC000262344693 203268921 /nfs/dbraw/zinc/26/89/21/203268921.db2.gz URHCVMNVDZZOKO-GOEBONIOSA-N 1 3 303.450 2.313 20 0 DEADHO CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000262428249 203290965 /nfs/dbraw/zinc/29/09/65/203290965.db2.gz BHJVZICDMGUROW-SFHVURJKSA-N 1 3 317.477 2.081 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000262557039 203327994 /nfs/dbraw/zinc/32/79/94/203327994.db2.gz ZLTAXISSDDBZTN-GVDBMIGSSA-N 1 3 303.450 2.444 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000678939473 541787160 /nfs/dbraw/zinc/78/71/60/541787160.db2.gz NAKCHIQCOUTNNV-DNVCBOLYSA-N 1 3 317.477 2.199 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C[C@H](N)c1ccccc1 ZINC000262747532 203398898 /nfs/dbraw/zinc/39/88/98/203398898.db2.gz BFDLKSLCESHOKG-SJORKVTESA-N 1 3 303.450 2.457 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C[C@H](N)c1ccccc1 ZINC000262747532 203398901 /nfs/dbraw/zinc/39/89/01/203398901.db2.gz BFDLKSLCESHOKG-SJORKVTESA-N 1 3 303.450 2.457 20 0 DEADHO C[C@@H]1C[C@@H](Nc2ccc(CN3CCN(C)CC3)cc2)CC[N@@H+]1C ZINC000679004436 541795124 /nfs/dbraw/zinc/79/51/24/541795124.db2.gz LAYCITBJKWSAAS-APWZRJJASA-N 1 3 316.493 2.329 20 0 DEADHO C[C@@H]1C[C@@H](Nc2ccc(CN3CCN(C)CC3)cc2)CC[N@H+]1C ZINC000679004436 541795125 /nfs/dbraw/zinc/79/51/25/541795125.db2.gz LAYCITBJKWSAAS-APWZRJJASA-N 1 3 316.493 2.329 20 0 DEADHO CCO[C@@H]1COC[C@H]1N[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000453380975 245109855 /nfs/dbraw/zinc/10/98/55/245109855.db2.gz ZZYIWUBXFDSCPO-ZTFGCOKTSA-N 1 3 322.449 2.082 20 0 DEADHO C[C@H]([NH2+]C[C@@H](O)C1CCC1)c1cccc(OCCN(C)C)c1 ZINC000453394626 245112478 /nfs/dbraw/zinc/11/24/78/245112478.db2.gz WJUFFWONWCCGCV-KBXCAEBGSA-N 1 3 306.450 2.439 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000264884781 204238975 /nfs/dbraw/zinc/23/89/75/204238975.db2.gz DDBROUSOBLWKLL-UHFFFAOYSA-N 1 3 317.477 2.450 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000530026102 284320068 /nfs/dbraw/zinc/32/00/68/284320068.db2.gz BQDQRKATXIFYBM-SFHVURJKSA-N 1 3 315.461 2.495 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000530026102 284320071 /nfs/dbraw/zinc/32/00/71/284320071.db2.gz BQDQRKATXIFYBM-SFHVURJKSA-N 1 3 315.461 2.495 20 0 DEADHO C[C@@H]1[C@H](C)N(Cc2ccc(OCC[NH+](C)C)cc2)CCN1C ZINC000681490938 542155774 /nfs/dbraw/zinc/15/57/74/542155774.db2.gz FPEKEVOAFAHOQL-CVEARBPZSA-N 1 3 305.466 2.151 20 0 DEADHO N[C@@H]1CCC[C@@H]([NH2+]CCCNC(=O)/C=C/c2ccccc2)C1 ZINC000493193150 249245453 /nfs/dbraw/zinc/24/54/53/249245453.db2.gz SGBCMETWAGDNIV-XXRWXEQKSA-N 1 3 301.434 2.066 20 0 DEADHO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CC1=CCN(C)CC1 ZINC000271878003 209287857 /nfs/dbraw/zinc/28/78/57/209287857.db2.gz OQBZBFLXPFDBPJ-OAHLLOKOSA-N 1 3 301.434 2.280 20 0 DEADHO Cc1nccn1CC[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000268797959 206965562 /nfs/dbraw/zinc/96/55/62/206965562.db2.gz IEYNPTWJSXDPLY-HNNXBMFYSA-N 1 3 316.449 2.483 20 0 DEADHO CC(C)C[C@H](C[NH3+])NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000269217733 207338396 /nfs/dbraw/zinc/33/83/96/207338396.db2.gz PZXJPKXJRGGCHQ-GOSISDBHSA-N 1 3 317.477 2.388 20 0 DEADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC(C)(C)OCCO)CC1 ZINC000352478131 296329484 /nfs/dbraw/zinc/32/94/84/296329484.db2.gz SODWSMOZQNCPMX-WBVHZDCISA-N 1 3 312.498 2.407 20 0 DEADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CC(C)(C)OCCO)CC1 ZINC000352478131 296329485 /nfs/dbraw/zinc/32/94/85/296329485.db2.gz SODWSMOZQNCPMX-WBVHZDCISA-N 1 3 312.498 2.407 20 0 DEADHO COc1cc(NCCN[C@@H]2CCCC[C@@H]2C[NH3+])cc(OC)c1 ZINC000423001822 533032415 /nfs/dbraw/zinc/03/24/15/533032415.db2.gz INXFHIMVFRPALW-CXAGYDPISA-N 1 3 307.438 2.223 20 0 DEADHO COc1cc(NCC[NH2+][C@@H]2CCCC[C@@H]2CN)cc(OC)c1 ZINC000423001822 533032419 /nfs/dbraw/zinc/03/24/19/533032419.db2.gz INXFHIMVFRPALW-CXAGYDPISA-N 1 3 307.438 2.223 20 0 DEADHO CC[C@@H](C)[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000539688255 285084073 /nfs/dbraw/zinc/08/40/73/285084073.db2.gz RPDHMUJINLVSGP-NUJGCVRESA-N 1 3 319.493 2.300 20 0 DEADHO CN(CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CC1)Cc1ccco1 ZINC000286466312 219004857 /nfs/dbraw/zinc/00/48/57/219004857.db2.gz IIAWSEOTTZDZFU-KRWDZBQOSA-N 1 3 319.449 2.187 20 0 DEADHO CN(CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CC1)Cc1ccco1 ZINC000286466312 219004859 /nfs/dbraw/zinc/00/48/59/219004859.db2.gz IIAWSEOTTZDZFU-KRWDZBQOSA-N 1 3 319.449 2.187 20 0 DEADHO COCC[C@](C)(O)CNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000358721602 285182044 /nfs/dbraw/zinc/18/20/44/285182044.db2.gz XKPIYABAYBTQCE-NXHRZFHOSA-N 1 3 312.498 2.407 20 0 DEADHO COCC[C@](C)(O)C[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000358721602 285182045 /nfs/dbraw/zinc/18/20/45/285182045.db2.gz XKPIYABAYBTQCE-NXHRZFHOSA-N 1 3 312.498 2.407 20 0 DEADHO CCCN1CCC([NH2+][C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000271655047 209097632 /nfs/dbraw/zinc/09/76/32/209097632.db2.gz BZRGNDSOMPTPKK-SFHVURJKSA-N 1 3 315.461 2.252 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000156146065 197089959 /nfs/dbraw/zinc/08/99/59/197089959.db2.gz OSFCVEJBILGRGV-QGZVFWFLSA-N 1 3 301.434 2.059 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H](C)SC ZINC000339830219 285243581 /nfs/dbraw/zinc/24/35/81/285243581.db2.gz RUNCIZZSMSPEFM-HUUCEWRRSA-N 1 3 315.527 2.003 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H](C)SC ZINC000339830219 285243582 /nfs/dbraw/zinc/24/35/82/285243582.db2.gz RUNCIZZSMSPEFM-HUUCEWRRSA-N 1 3 315.527 2.003 20 0 DEADHO CC[C@H](C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)N(C)C ZINC000120441718 195167558 /nfs/dbraw/zinc/16/75/58/195167558.db2.gz GNYNDLRUHOWMJR-DOTOQJQBSA-N 1 3 305.466 2.353 20 0 DEADHO CC[C@H](C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)N(C)C ZINC000120441718 195167559 /nfs/dbraw/zinc/16/75/59/195167559.db2.gz GNYNDLRUHOWMJR-DOTOQJQBSA-N 1 3 305.466 2.353 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC1CCCC1 ZINC000337586382 285276447 /nfs/dbraw/zinc/27/64/47/285276447.db2.gz SFRXQYJOGZSEEV-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC1CCCC1 ZINC000337586382 285276448 /nfs/dbraw/zinc/27/64/48/285276448.db2.gz SFRXQYJOGZSEEV-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000294878176 224280819 /nfs/dbraw/zinc/28/08/19/224280819.db2.gz XHRZMAMQSQVMQY-KDOFPFPSSA-N 1 3 320.502 2.484 20 0 DEADHO CC(C)[NH+]1CCC(O)(CNCc2cc3ccccc3[nH]2)CC1 ZINC000683929856 542520669 /nfs/dbraw/zinc/52/06/69/542520669.db2.gz WUNYCIHDMLCYSK-UHFFFAOYSA-N 1 3 301.434 2.493 20 0 DEADHO C[C@H](CNC(=O)Nc1cccc2c1CCNC2)C[NH+]1CCCC1 ZINC000562767832 292009739 /nfs/dbraw/zinc/00/97/39/292009739.db2.gz PLSRCBCQGOJRCH-CQSZACIVSA-N 1 3 316.449 2.186 20 0 DEADHO CCCN1CCC([NH2+][C@H](C)C(=O)N2Cc3ccccc3C2)CC1 ZINC000355531152 133031896 /nfs/dbraw/zinc/03/18/96/133031896.db2.gz LYYHJWMCJQWEPU-OAHLLOKOSA-N 1 3 315.461 2.381 20 0 DEADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(C(=O)NC2CC2)c1 ZINC000358027399 133116479 /nfs/dbraw/zinc/11/64/79/133116479.db2.gz RCXIUJISKHYOKL-LBTNJELSSA-N 1 3 315.461 2.397 20 0 DEADHO c1ccc(CN2CCC(N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)nc1 ZINC000359945588 133154263 /nfs/dbraw/zinc/15/42/63/133154263.db2.gz XVPMZMQESNKLDP-MOPGFXCFSA-N 1 3 314.477 2.262 20 0 DEADHO c1ccc(CN2CCC(N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)nc1 ZINC000359945588 133154264 /nfs/dbraw/zinc/15/42/64/133154264.db2.gz XVPMZMQESNKLDP-MOPGFXCFSA-N 1 3 314.477 2.262 20 0 DEADHO CCCN(CC[NH+](CC)CC)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000360053195 133159332 /nfs/dbraw/zinc/15/93/32/133159332.db2.gz RHYXEPBOWJGJIP-MRXNPFEDSA-N 1 3 324.513 2.400 20 0 DEADHO CCN1CCC([NH2+]CC2(N3CCC(OC)CC3)CCCC2)CC1 ZINC000360237748 133170888 /nfs/dbraw/zinc/17/08/88/133170888.db2.gz JTIOIHFADLPSBD-UHFFFAOYSA-N 1 3 323.525 2.484 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N2CCN(C3CCCCC3)CC2)CC[N@@H+]1C ZINC000362723643 133247694 /nfs/dbraw/zinc/24/76/94/133247694.db2.gz NIJZIAIYHGXISE-HZPDHXFCSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N2CCN(C3CCCCC3)CC2)CC[N@H+]1C ZINC000362723643 133247695 /nfs/dbraw/zinc/24/76/95/133247695.db2.gz NIJZIAIYHGXISE-HZPDHXFCSA-N 1 3 322.497 2.129 20 0 DEADHO O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCN(C2CCCCC2)CC1 ZINC000377751972 133344815 /nfs/dbraw/zinc/34/48/15/133344815.db2.gz XXBWYVGZDLUILH-ZWKOTPCHSA-N 1 3 319.493 2.099 20 0 DEADHO C[C@H](O)c1ncc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)s1 ZINC000377881866 133349768 /nfs/dbraw/zinc/34/97/68/133349768.db2.gz AIEJHYLFNKNSLR-GXTWGEPZSA-N 1 3 309.479 2.360 20 0 DEADHO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1CN(C)C ZINC000373021333 133374515 /nfs/dbraw/zinc/37/45/15/133374515.db2.gz DLUJAZSVLYCICJ-GOEBONIOSA-N 1 3 301.434 2.057 20 0 DEADHO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1CN(C)C ZINC000373021333 133374516 /nfs/dbraw/zinc/37/45/16/133374516.db2.gz DLUJAZSVLYCICJ-GOEBONIOSA-N 1 3 301.434 2.057 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C1CC2(CCC2)C1 ZINC000563182349 292036638 /nfs/dbraw/zinc/03/66/38/292036638.db2.gz JXPGLDLNZLTLTM-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C1CC2(CCC2)C1 ZINC000563182349 292036639 /nfs/dbraw/zinc/03/66/39/292036639.db2.gz JXPGLDLNZLTLTM-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO COc1ccc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1O ZINC000563460688 292058637 /nfs/dbraw/zinc/05/86/37/292058637.db2.gz FGEPSNZIRBVMPJ-CRAIPNDOSA-N 1 3 320.433 2.119 20 0 DEADHO Cc1nc(C)c(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)s1 ZINC000563693226 292070016 /nfs/dbraw/zinc/07/00/16/292070016.db2.gz VEQSPPGFFJNSFF-GOEBONIOSA-N 1 3 309.479 2.478 20 0 DEADHO CC(C)[C@@H](N)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000564571994 292100296 /nfs/dbraw/zinc/10/02/96/292100296.db2.gz LPYRQVFBPYIIHQ-DOTOQJQBSA-N 1 3 309.498 2.473 20 0 DEADHO CC(C)[C@@H](N)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000564571994 292100298 /nfs/dbraw/zinc/10/02/98/292100298.db2.gz LPYRQVFBPYIIHQ-DOTOQJQBSA-N 1 3 309.498 2.473 20 0 DEADHO CCN1CCC[C@H](NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)C1 ZINC000188480166 145012898 /nfs/dbraw/zinc/01/28/98/145012898.db2.gz GVVGSSJIINSEEJ-HOTGVXAUSA-N 1 3 310.486 2.034 20 0 DEADHO CN1CCC[C@@H](CNC(=O)C2CC[NH2+]CC2)[C@@H]1c1cccs1 ZINC000237114615 145092003 /nfs/dbraw/zinc/09/20/03/145092003.db2.gz IDYIBHGUJVXAEM-GOEBONIOSA-N 1 3 321.490 2.247 20 0 DEADHO Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000248050875 145147230 /nfs/dbraw/zinc/14/72/30/145147230.db2.gz WIPAPYDMWLHDDH-KURKYZTESA-N 1 3 318.461 2.151 20 0 DEADHO Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000248050875 145147232 /nfs/dbraw/zinc/14/72/32/145147232.db2.gz WIPAPYDMWLHDDH-KURKYZTESA-N 1 3 318.461 2.151 20 0 DEADHO C[C@H]1CC[C@@H](C[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)O1 ZINC000249096108 145178087 /nfs/dbraw/zinc/17/80/87/145178087.db2.gz ORNSQSLPFOZOJX-LHHMISFZSA-N 1 3 310.482 2.375 20 0 DEADHO C[C@@H](NC(=O)[C@H]1CCCCN1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261539438 145206184 /nfs/dbraw/zinc/20/61/84/145206184.db2.gz CLIIZWPYSMFRFX-BPQIPLTHSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H](NC(=O)[C@H]1CCCCN1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261539438 145206185 /nfs/dbraw/zinc/20/61/85/145206185.db2.gz CLIIZWPYSMFRFX-BPQIPLTHSA-N 1 3 315.461 2.155 20 0 DEADHO COc1cc2c(cc1OC)CN(CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000262017377 145253518 /nfs/dbraw/zinc/25/35/18/145253518.db2.gz XBXKQJMJAYTLEL-AWEZNQCLSA-N 1 3 304.434 2.452 20 0 DEADHO C[NH2+]CCC1CCN([C@@H](C)C(=O)NCCc2ccccc2)CC1 ZINC000262026936 145254556 /nfs/dbraw/zinc/25/45/56/145254556.db2.gz ZVTZXQGUNJOQMJ-INIZCTEOSA-N 1 3 317.477 2.055 20 0 DEADHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000262072001 145259236 /nfs/dbraw/zinc/25/92/36/145259236.db2.gz COMSTJUOIWZMGI-HFTRVMKXSA-N 1 3 304.434 2.414 20 0 DEADHO [NH3+][C@@H]1CCC[C@H]2CN(CCC(=O)Nc3ccccc3F)C[C@@H]21 ZINC000262124063 145263943 /nfs/dbraw/zinc/26/39/43/145263943.db2.gz KYPCTTRQZMYTNI-KCQAQPDRSA-N 1 3 305.397 2.214 20 0 DEADHO C[C@H](CN1CC[C@@H](N2CC[NH2+]CC2)C1)c1cccc(Cl)c1 ZINC000262194711 145268829 /nfs/dbraw/zinc/26/88/29/145268829.db2.gz ZFJXUGZJHGHAHU-RHSMWYFYSA-N 1 3 307.869 2.423 20 0 DEADHO C[NH2+]CCCC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000309924684 145350300 /nfs/dbraw/zinc/35/03/00/145350300.db2.gz WZNFUQMZIXGFFF-QGZVFWFLSA-N 1 3 303.450 2.014 20 0 DEADHO O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000309748652 145350348 /nfs/dbraw/zinc/35/03/48/145350348.db2.gz VHTJWYSEPOKPKW-QGZVFWFLSA-N 1 3 315.461 2.014 20 0 DEADHO Cc1ccc(C)c(OCCCN2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000324052216 145380935 /nfs/dbraw/zinc/38/09/35/145380935.db2.gz UUKJPWMUSXTHSN-GOSISDBHSA-N 1 3 317.477 2.052 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](c1ccccc1)N1CCOCC1 ZINC000422806515 296576175 /nfs/dbraw/zinc/57/61/75/296576175.db2.gz NLYOHJIJDGSIDK-NZSAHSFTSA-N 1 3 317.477 2.038 20 0 DEADHO COCCOc1ccccc1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000346836764 146151133 /nfs/dbraw/zinc/15/11/33/146151133.db2.gz VOHXMPFYVLPMPP-USXIJHARSA-N 1 3 304.434 2.271 20 0 DEADHO CCN1CCN(c2ccccc2CN2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC000347032167 146183839 /nfs/dbraw/zinc/18/38/39/146183839.db2.gz YZNZSYKRMGQHNL-IAGOWNOFSA-N 1 3 316.493 2.011 20 0 DEADHO CC(C)C[C@@H](C)N(C)C(=O)CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357084394 147038071 /nfs/dbraw/zinc/03/80/71/147038071.db2.gz QBPFWFGFZIULJY-WBVHZDCISA-N 1 3 309.498 2.201 20 0 DEADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2ncc(C)cn2)[C@H](C)C1 ZINC000358360050 147120200 /nfs/dbraw/zinc/12/02/00/147120200.db2.gz VDPPCGQKRHPRPB-IAGOWNOFSA-N 1 3 320.481 2.054 20 0 DEADHO CCOCCC[N@H+]1CC[C@@H](NCCc2ncc(C)cn2)[C@H](C)C1 ZINC000358360050 147120203 /nfs/dbraw/zinc/12/02/03/147120203.db2.gz VDPPCGQKRHPRPB-IAGOWNOFSA-N 1 3 320.481 2.054 20 0 DEADHO C[C@H](C(=O)N(C)c1ccccc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358496011 147144682 /nfs/dbraw/zinc/14/46/82/147144682.db2.gz IXVJEFJDSRRSIA-OAHLLOKOSA-N 1 3 301.434 2.113 20 0 DEADHO C[C@@H](c1nc(-c2cccnc2)no1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358518760 147149224 /nfs/dbraw/zinc/14/92/24/147149224.db2.gz RJGBSDYDDIXNQM-ZDUSSCGKSA-N 1 3 313.405 2.268 20 0 DEADHO CN(C)CCNC(=O)C1CC[NH+](CCCc2ccsc2)CC1 ZINC000360965167 147419439 /nfs/dbraw/zinc/41/94/39/147419439.db2.gz CCASHVIKFWUNKH-UHFFFAOYSA-N 1 3 323.506 2.071 20 0 DEADHO CN1CCN(CC2(C)CC[NH+](CCOC(C)(C)C)CC2)CC1 ZINC000371779124 148139560 /nfs/dbraw/zinc/13/95/60/148139560.db2.gz XAGWOVNFMMCLJF-UHFFFAOYSA-N 1 3 311.514 2.151 20 0 DEADHO Cc1ccc(NC(=O)CCNCC[N@H+]2CCC[C@@H](C)C2)nc1 ZINC000565932075 292191243 /nfs/dbraw/zinc/19/12/43/292191243.db2.gz OXGBNAJNYYTTQD-OAHLLOKOSA-N 1 3 304.438 2.040 20 0 DEADHO Cc1ccc(NC(=O)CCNCC[N@@H+]2CCC[C@@H](C)C2)nc1 ZINC000565932075 292191245 /nfs/dbraw/zinc/19/12/45/292191245.db2.gz OXGBNAJNYYTTQD-OAHLLOKOSA-N 1 3 304.438 2.040 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)N[C@H](C)CC[NH+](C)C)N(C)C)cc1 ZINC000263791850 292200011 /nfs/dbraw/zinc/20/00/11/292200011.db2.gz YOHVJAKJXLRDEX-NVXWUHKLSA-N 1 3 320.481 2.237 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000073660220 401720192 /nfs/dbraw/zinc/72/01/92/401720192.db2.gz PQMVEZSUSYYVSW-DLBZAZTESA-N 1 3 324.513 2.092 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000073660220 401720194 /nfs/dbraw/zinc/72/01/94/401720194.db2.gz PQMVEZSUSYYVSW-DLBZAZTESA-N 1 3 324.513 2.092 20 0 DEADHO CC(C)[NH2+]C1CCN(C(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000111818812 401725022 /nfs/dbraw/zinc/72/50/22/401725022.db2.gz OHHKIGLKXBQKEJ-OAHLLOKOSA-N 1 3 310.486 2.033 20 0 DEADHO CCC[C@H](C)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127232987 401725182 /nfs/dbraw/zinc/72/51/82/401725182.db2.gz AFFWLBHTYLJAGQ-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000127244116 401725810 /nfs/dbraw/zinc/72/58/10/401725810.db2.gz BPWWVFVNQUTNRV-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO CN(C)c1ccccc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000126433773 401693891 /nfs/dbraw/zinc/69/38/91/401693891.db2.gz XSUQBYAXPWOVJW-UHFFFAOYSA-N 1 3 318.509 2.210 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000073665878 401719852 /nfs/dbraw/zinc/71/98/52/401719852.db2.gz RMCVBQWIABCUAV-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000073665878 401719853 /nfs/dbraw/zinc/71/98/53/401719853.db2.gz RMCVBQWIABCUAV-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H](C(=O)NCC1(C[NH+](C)C)CCCC1)N1[C@H](C)CC[C@H]1C ZINC000129143475 401799301 /nfs/dbraw/zinc/79/93/01/401799301.db2.gz MXKGRNJMFFPTGL-OAGGEKHMSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC1CCN(C2CC2)CC1 ZINC000113406353 401778818 /nfs/dbraw/zinc/77/88/18/401778818.db2.gz UPYXRUGPJUONFC-INIZCTEOSA-N 1 3 322.497 2.177 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC1CCN(C2CC2)CC1 ZINC000113406353 401778821 /nfs/dbraw/zinc/77/88/21/401778821.db2.gz UPYXRUGPJUONFC-INIZCTEOSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@H](Cc1c(Cl)cccc1Cl)NC[C@@H](O)C[NH+](C)C ZINC000130134728 401819517 /nfs/dbraw/zinc/81/95/17/401819517.db2.gz OYOMZMOOUBDDCK-GHMZBOCLSA-N 1 3 305.249 2.437 20 0 DEADHO CC[C@H]1CCCC[C@@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000077777930 401830807 /nfs/dbraw/zinc/83/08/07/401830807.db2.gz QWUISUWDYCWDFZ-HOTGVXAUSA-N 1 3 312.502 2.090 20 0 DEADHO O=C(C[C@@H]1CC[NH2+]C1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000130529367 401834761 /nfs/dbraw/zinc/83/47/61/401834761.db2.gz PWJULMKDVDOJIR-ROUUACIJSA-N 1 3 315.461 2.157 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCN1CCc2sccc2C1 ZINC000132860025 401875568 /nfs/dbraw/zinc/87/55/68/401875568.db2.gz MHDBBEMGDBBQPX-IJEWVQPXSA-N 1 3 307.507 2.425 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCN1CCc2sccc2C1 ZINC000132860025 401875572 /nfs/dbraw/zinc/87/55/72/401875572.db2.gz MHDBBEMGDBBQPX-IJEWVQPXSA-N 1 3 307.507 2.425 20 0 DEADHO C[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000134623042 401909098 /nfs/dbraw/zinc/90/90/98/401909098.db2.gz TTXCHKADJYBJPC-HLLBOEOZSA-N 1 3 304.434 2.215 20 0 DEADHO Cc1occc1C(=O)NC1CC[NH+](CC[C@H]2CCCN2C)CC1 ZINC000089427163 401946443 /nfs/dbraw/zinc/94/64/43/401946443.db2.gz PPCVCDUCBFYGPD-MRXNPFEDSA-N 1 3 319.449 2.267 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccccc3)CC2)CC1 ZINC000051236041 402032760 /nfs/dbraw/zinc/03/27/60/402032760.db2.gz REQPJSGDBXCECG-UHFFFAOYSA-N 1 3 316.449 2.367 20 0 DEADHO CCOC(=O)N1CCC([NH2+]C[C@@H](C)CN2CCCCC2)CC1 ZINC000121590644 402045456 /nfs/dbraw/zinc/04/54/56/402045456.db2.gz TVXBGJZQWNTLSQ-OAHLLOKOSA-N 1 3 311.470 2.319 20 0 DEADHO CN(C)CCNC(=O)c1cccc(C[NH2+]C[C@@H]2CC=CCC2)c1 ZINC000121621741 402046336 /nfs/dbraw/zinc/04/63/36/402046336.db2.gz BHBADROZZYMTJF-MRXNPFEDSA-N 1 3 315.461 2.424 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CN1C1CC1 ZINC000122177804 402065214 /nfs/dbraw/zinc/06/52/14/402065214.db2.gz JLLLBRFGHJLZBF-DZGCQCFKSA-N 1 3 322.497 2.174 20 0 DEADHO CC1CCN(C(=O)CN2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000123618044 402138250 /nfs/dbraw/zinc/13/82/50/402138250.db2.gz XDOLTXAXWPQEOV-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000154228652 402200224 /nfs/dbraw/zinc/20/02/24/402200224.db2.gz VHTDUPCBTHFPED-OAHLLOKOSA-N 1 3 319.449 2.094 20 0 DEADHO CCCC[C@H](N)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000154535984 402217084 /nfs/dbraw/zinc/21/70/84/402217084.db2.gz MZAJHPCMCIHCPI-KRWDZBQOSA-N 1 3 303.450 2.416 20 0 DEADHO C[C@@H](CNC(=O)NCCN1CCC(C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000107734259 402239686 /nfs/dbraw/zinc/23/96/86/402239686.db2.gz VIHGYOBHGPIAPL-IRXDYDNUSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H](CNC(=O)NCCN1CCC(C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000107734259 402239687 /nfs/dbraw/zinc/23/96/87/402239687.db2.gz VIHGYOBHGPIAPL-IRXDYDNUSA-N 1 3 324.513 2.138 20 0 DEADHO CC[C@@H](C(=O)NC1CCN([C@H](C)c2ccncc2)CC1)[NH+](C)C ZINC000155245244 402250091 /nfs/dbraw/zinc/25/00/91/402250091.db2.gz BKXYGLMSQGFVMM-PBHICJAKSA-N 1 3 318.465 2.063 20 0 DEADHO CC[C@@H](C)[C@H](C)N(CC(=O)NC1CC[NH+](CC)CC1)C1CC1 ZINC000104966216 402205700 /nfs/dbraw/zinc/20/57/00/402205700.db2.gz CEYWEXZEDKCVPC-CABCVRRESA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc2c(c1)OCO2 ZINC000154346590 402207696 /nfs/dbraw/zinc/20/76/96/402207696.db2.gz FEEYOLBSQMLONO-OAHLLOKOSA-N 1 3 319.449 2.094 20 0 DEADHO CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)CC1CC1 ZINC000184582861 402279164 /nfs/dbraw/zinc/27/91/64/402279164.db2.gz DIXMKDGITCUEJR-QGZVFWFLSA-N 1 3 303.450 2.137 20 0 DEADHO CC[N@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)CC1CC1 ZINC000184582861 402279168 /nfs/dbraw/zinc/27/91/68/402279168.db2.gz DIXMKDGITCUEJR-QGZVFWFLSA-N 1 3 303.450 2.137 20 0 DEADHO CCC(CC)[C@@H](CNC(=O)N(C)CCN(C)C)[NH+]1CCCC1 ZINC000176189559 402287969 /nfs/dbraw/zinc/28/79/69/402287969.db2.gz MHIALBVDZLLIPS-MRXNPFEDSA-N 1 3 312.502 2.090 20 0 DEADHO Cc1cscc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000176289489 402297600 /nfs/dbraw/zinc/29/76/00/402297600.db2.gz XBBACDQJCBVWEI-UHFFFAOYSA-N 1 3 321.490 2.345 20 0 DEADHO C[N@H+](CCc1cccs1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000223431037 402310728 /nfs/dbraw/zinc/31/07/28/402310728.db2.gz IOOCLDUWICURDH-IRXDYDNUSA-N 1 3 304.459 2.153 20 0 DEADHO C[N@@H+](CCc1cccs1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000223431037 402310732 /nfs/dbraw/zinc/31/07/32/402310732.db2.gz IOOCLDUWICURDH-IRXDYDNUSA-N 1 3 304.459 2.153 20 0 DEADHO CC(C)N1CCC([NH2+][C@H](C)C(=O)NCCc2ccccc2)CC1 ZINC000159293499 402321035 /nfs/dbraw/zinc/32/10/35/402321035.db2.gz DYSKNHJKZLPXCQ-MRXNPFEDSA-N 1 3 317.477 2.196 20 0 DEADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)CCC[NH3+] ZINC000236894887 402387568 /nfs/dbraw/zinc/38/75/68/402387568.db2.gz ILTCGXVIOCLSIA-QGZVFWFLSA-N 1 3 303.450 2.096 20 0 DEADHO CCC(CC)(C[NH3+])C(=O)NCc1ccccc1OCCN(C)C ZINC000236685466 402374393 /nfs/dbraw/zinc/37/43/93/402374393.db2.gz LPYFRXCBPPVDHF-UHFFFAOYSA-N 1 3 321.465 2.008 20 0 DEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CCN(C)C2CC2)C1 ZINC000185221825 402336087 /nfs/dbraw/zinc/33/60/87/402336087.db2.gz WCELUAXRGFMLSX-OAHLLOKOSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CCN(C)C2CC2)C1 ZINC000185221825 402336091 /nfs/dbraw/zinc/33/60/91/402336091.db2.gz WCELUAXRGFMLSX-OAHLLOKOSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](C(=O)NCCC[NH+]1CCCCC1)[C@@H](N)c1ccccc1 ZINC000177461100 402404858 /nfs/dbraw/zinc/40/48/58/402404858.db2.gz LSDYVWMAQVMYQR-NVXWUHKLSA-N 1 3 303.450 2.315 20 0 DEADHO C[C@H](CC(=O)N1CCC[C@@H]1CN1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000237528383 402411428 /nfs/dbraw/zinc/41/14/28/402411428.db2.gz AJFRBNMUPWRLOL-KZNAEPCWSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H](CC(=O)N1CCN(C2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237563166 402413603 /nfs/dbraw/zinc/41/36/03/402413603.db2.gz BDBXQCOHXIBLRJ-HZPDHXFCSA-N 1 3 307.482 2.099 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000177584519 402418017 /nfs/dbraw/zinc/41/80/17/402418017.db2.gz RYMXBVDNGRUXPF-DLBZAZTESA-N 1 3 303.450 2.351 20 0 DEADHO C[C@@H]1CCC[C@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000162473678 402420996 /nfs/dbraw/zinc/42/09/96/402420996.db2.gz PJRMIQIHVSTFJT-CVEARBPZSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@H]2CCCC[NH2+]2)N2CCCC2)cc1 ZINC000237880529 402424473 /nfs/dbraw/zinc/42/44/73/402424473.db2.gz QOXRAIKQVWJWBG-QZTJIDSGSA-N 1 3 315.461 2.390 20 0 DEADHO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000237960472 402428417 /nfs/dbraw/zinc/42/84/17/402428417.db2.gz MFEGIAPUWNVLMF-KSZLIROESA-N 1 3 315.461 2.285 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000238011650 402431920 /nfs/dbraw/zinc/43/19/20/402431920.db2.gz WIAOOEHYESWBJC-IRXDYDNUSA-N 1 3 301.434 2.140 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H](C)c2sc(C)nc2C)CC1 ZINC000178003448 402451368 /nfs/dbraw/zinc/45/13/68/402451368.db2.gz ZKMCDMGYNCGAES-ZDUSSCGKSA-N 1 3 310.511 2.438 20 0 DEADHO CCCN1CCC([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000162840927 402434076 /nfs/dbraw/zinc/43/40/76/402434076.db2.gz YHCCQFHHHNTZLP-CALCHBBNSA-N 1 3 311.514 2.340 20 0 DEADHO O=C(C[C@H]1CCC[NH2+]1)NC[C@H](c1cccs1)N1CCCC1 ZINC000163624203 402454031 /nfs/dbraw/zinc/45/40/31/402454031.db2.gz CHCFYRIRCLDNKK-ZIAGYGMSSA-N 1 3 307.463 2.143 20 0 DEADHO CC(C)C[C@H](N)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000164722596 402467609 /nfs/dbraw/zinc/46/76/09/402467609.db2.gz HWRTUHHZXWGMMN-KRWDZBQOSA-N 1 3 303.450 2.272 20 0 DEADHO C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)CN1CCCC1 ZINC000165336625 402475583 /nfs/dbraw/zinc/47/55/83/402475583.db2.gz CRRPIGNBEXJHAI-CABCVRRESA-N 1 3 314.437 2.045 20 0 DEADHO CSCC[C@H](N)C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000166001068 402480798 /nfs/dbraw/zinc/48/07/98/402480798.db2.gz BIRGLIUEUOLCNI-INIZCTEOSA-N 1 3 323.506 2.223 20 0 DEADHO CSCC[C@H](N)C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000166001068 402480801 /nfs/dbraw/zinc/48/08/01/402480801.db2.gz BIRGLIUEUOLCNI-INIZCTEOSA-N 1 3 323.506 2.223 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000167538386 402491586 /nfs/dbraw/zinc/49/15/86/402491586.db2.gz DPJKFCHMLAUNSU-JQHSSLGASA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000167795505 402493767 /nfs/dbraw/zinc/49/37/67/402493767.db2.gz JGNIXGIAPGQFQV-CRAIPNDOSA-N 1 3 315.461 2.470 20 0 DEADHO CCN1CC[C@H](C[NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000245886759 402494917 /nfs/dbraw/zinc/49/49/17/402494917.db2.gz OWOXIVIXZFYJMA-QLFBSQMISA-N 1 3 311.470 2.364 20 0 DEADHO CC[N@@H+]1CC[C@H](CN[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000245886759 402494919 /nfs/dbraw/zinc/49/49/19/402494919.db2.gz OWOXIVIXZFYJMA-QLFBSQMISA-N 1 3 311.470 2.364 20 0 DEADHO CC[N@H+]1CC[C@H](CN[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000245886759 402494920 /nfs/dbraw/zinc/49/49/20/402494920.db2.gz OWOXIVIXZFYJMA-QLFBSQMISA-N 1 3 311.470 2.364 20 0 DEADHO C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CN1Cc1ccccc1 ZINC000178831376 402544189 /nfs/dbraw/zinc/54/41/89/402544189.db2.gz JHXVMGJPGKAEQX-RANZSIQMSA-N 1 3 315.461 2.283 20 0 DEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCCN(C)C2)C1 ZINC000247196129 402559220 /nfs/dbraw/zinc/55/92/20/402559220.db2.gz QRJYBRRCFMJLSS-HZPDHXFCSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCCN(C)C2)C1 ZINC000247196129 402559222 /nfs/dbraw/zinc/55/92/22/402559222.db2.gz QRJYBRRCFMJLSS-HZPDHXFCSA-N 1 3 324.513 2.138 20 0 DEADHO COC(C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C)OC ZINC000189961447 402568315 /nfs/dbraw/zinc/56/83/15/402568315.db2.gz SATNWJDXHJKHKJ-MVVMVCHASA-N 1 3 306.450 2.352 20 0 DEADHO CC(C)[NH2+]C1CCN(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000247468990 402568375 /nfs/dbraw/zinc/56/83/75/402568375.db2.gz GOFJSPVVPLBDQX-CVEARBPZSA-N 1 3 324.513 2.279 20 0 DEADHO CCN1CC[C@H]([NH2+]CC2(N3CCCCC3)CCOCC2)[C@@H](C)C1 ZINC000246403437 402529489 /nfs/dbraw/zinc/52/94/89/402529489.db2.gz LXLMVRIGIBTRBY-ROUUACIJSA-N 1 3 323.525 2.341 20 0 DEADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000190207400 402584738 /nfs/dbraw/zinc/58/47/38/402584738.db2.gz XHHOIIVXTUPGGQ-JKSUJKDBSA-N 1 3 322.497 2.129 20 0 DEADHO CCCNC(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000249380810 402627970 /nfs/dbraw/zinc/62/79/70/402627970.db2.gz QJAJNKUXNJZQDC-MNZLEMJZSA-N 1 3 317.477 2.259 20 0 DEADHO COC[C@@H]([NH2+]C[C@H]1CCCN(CC(C)C)C1)C1CCOCC1 ZINC000249200145 402622825 /nfs/dbraw/zinc/62/28/25/402622825.db2.gz SRGZBTBJSFBNOK-SJLPKXTDSA-N 1 3 312.498 2.386 20 0 DEADHO COC[C@@H](NC[C@H]1CCC[N@H+](CC(C)C)C1)C1CCOCC1 ZINC000249200145 402622826 /nfs/dbraw/zinc/62/28/26/402622826.db2.gz SRGZBTBJSFBNOK-SJLPKXTDSA-N 1 3 312.498 2.386 20 0 DEADHO COC[C@@H](NC[C@H]1CCC[N@@H+](CC(C)C)C1)C1CCOCC1 ZINC000249200145 402622827 /nfs/dbraw/zinc/62/28/27/402622827.db2.gz SRGZBTBJSFBNOK-SJLPKXTDSA-N 1 3 312.498 2.386 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000249315875 402625537 /nfs/dbraw/zinc/62/55/37/402625537.db2.gz OAGAFXGNDFZCEC-IAGOWNOFSA-N 1 3 324.513 2.425 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000249315875 402625539 /nfs/dbraw/zinc/62/55/39/402625539.db2.gz OAGAFXGNDFZCEC-IAGOWNOFSA-N 1 3 324.513 2.425 20 0 DEADHO [NH3+]Cc1ccc(NC(=O)N2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000261923622 402719469 /nfs/dbraw/zinc/71/94/69/402719469.db2.gz IJRMKZHYYLYVOF-MRXNPFEDSA-N 1 3 302.422 2.237 20 0 DEADHO CC[NH+](CC)Cc1cccc(CN[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000182494194 402694497 /nfs/dbraw/zinc/69/44/97/402694497.db2.gz NIEIQMPQGOTWBV-QGZVFWFLSA-N 1 3 324.490 2.195 20 0 DEADHO CCN(CC)Cc1cccc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)c1 ZINC000182494194 402694500 /nfs/dbraw/zinc/69/45/00/402694500.db2.gz NIEIQMPQGOTWBV-QGZVFWFLSA-N 1 3 324.490 2.195 20 0 DEADHO C[C@H](CN1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccc(F)cc1 ZINC000261968564 402720586 /nfs/dbraw/zinc/72/05/86/402720586.db2.gz HYSWNSLMOHLMFC-PBHICJAKSA-N 1 3 321.440 2.249 20 0 DEADHO C[C@@H](C[NH3+])C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000262509510 402726846 /nfs/dbraw/zinc/72/68/46/402726846.db2.gz JKQZBMPLDGVEHJ-YOEHRIQHSA-N 1 3 317.477 2.170 20 0 DEADHO CCC[C@@H](N)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000182983034 402731189 /nfs/dbraw/zinc/73/11/89/402731189.db2.gz UITXWXATMUUQCL-QGZVFWFLSA-N 1 3 318.465 2.274 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC3(CCCC3)C2)CC1 ZINC000174262985 402734591 /nfs/dbraw/zinc/73/45/91/402734591.db2.gz FNXWSMZKUZFELD-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H](C(=O)Nc1ccc(OCC[NH3+])cc1)N1CCCCCC1 ZINC000183243402 402749865 /nfs/dbraw/zinc/74/98/65/402749865.db2.gz NQYCZGHLQJUMJK-AWEZNQCLSA-N 1 3 305.422 2.227 20 0 DEADHO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000263296167 402755189 /nfs/dbraw/zinc/75/51/89/402755189.db2.gz YADNVTTZOPABNW-RBSFLKMASA-N 1 3 321.490 2.204 20 0 DEADHO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H](C)N2CCCCCC2)C1 ZINC000174757141 402755819 /nfs/dbraw/zinc/75/58/19/402755819.db2.gz LFCNQVHGOWAYLR-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CCN(C)CCNC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000175392684 402802401 /nfs/dbraw/zinc/80/24/01/402802401.db2.gz QENKAVGVXGSASR-MRXNPFEDSA-N 1 3 320.481 2.148 20 0 DEADHO CCN(C)CCNC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000175392684 402802403 /nfs/dbraw/zinc/80/24/03/402802403.db2.gz QENKAVGVXGSASR-MRXNPFEDSA-N 1 3 320.481 2.148 20 0 DEADHO CCN(CC)CC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000194573516 402802981 /nfs/dbraw/zinc/80/29/81/402802981.db2.gz DKQNGIXVTKBBQB-UHFFFAOYSA-N 1 3 303.450 2.240 20 0 DEADHO O=C(C1CCN(C2CC2)CC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000194692126 402810550 /nfs/dbraw/zinc/81/05/50/402810550.db2.gz WKSXUNWLJUABFK-INIZCTEOSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@H](C(=O)NC1CC[NH+](CC2CC2)CC1)N1CCCCCC1 ZINC000175546938 402816216 /nfs/dbraw/zinc/81/62/16/402816216.db2.gz LRSOKLFBEIZBAG-OAHLLOKOSA-N 1 3 307.482 2.242 20 0 DEADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)/C=C/CN(C)C ZINC000265685588 402940186 /nfs/dbraw/zinc/94/01/86/402940186.db2.gz XCHCJZSSJVSFFJ-BQYQJAHWSA-N 1 3 303.450 2.215 20 0 DEADHO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCCN1C1CC1 ZINC000280065157 402966957 /nfs/dbraw/zinc/96/69/57/402966957.db2.gz BKGKVIBLQSJYHQ-QAPCUYQASA-N 1 3 315.461 2.250 20 0 DEADHO [NH3+]CC[C@@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000281626093 403076183 /nfs/dbraw/zinc/07/61/83/403076183.db2.gz CQHSNHANRZTDGM-INIZCTEOSA-N 1 3 315.461 2.483 20 0 DEADHO COc1ccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@H](C)N)CCC2)cc1 ZINC000423035608 286296829 /nfs/dbraw/zinc/29/68/29/286296829.db2.gz RZNMCMINDGWIBU-JCGIZDLHSA-N 1 3 318.461 2.459 20 0 DEADHO COc1ccc(C2(CN[C@@H]3CCOC[C@H]3[C@H](C)[NH3+])CCC2)cc1 ZINC000423035608 286296830 /nfs/dbraw/zinc/29/68/30/286296830.db2.gz RZNMCMINDGWIBU-JCGIZDLHSA-N 1 3 318.461 2.459 20 0 DEADHO C[C@H]1C[C@H](NCCC(=O)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000268808380 403115900 /nfs/dbraw/zinc/11/59/00/403115900.db2.gz LLWZLPCMZOSVLD-DOTOQJQBSA-N 1 3 303.450 2.107 20 0 DEADHO C[C@H]1C[C@H](NCCC(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000268808380 403115901 /nfs/dbraw/zinc/11/59/01/403115901.db2.gz LLWZLPCMZOSVLD-DOTOQJQBSA-N 1 3 303.450 2.107 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC2(N(C)C)Cc3ccccc3C2)CCN1C ZINC000268921850 403121288 /nfs/dbraw/zinc/12/12/88/403121288.db2.gz UYTGAHIHSONAQT-CRAIPNDOSA-N 1 3 301.478 2.158 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)[C@H](N)Cc1ccccc1 ZINC000269265759 403126364 /nfs/dbraw/zinc/12/63/64/403126364.db2.gz ZENKQHBWELJFPE-QGZVFWFLSA-N 1 3 305.466 2.185 20 0 DEADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCC2(C)C)c1 ZINC000284261278 403258203 /nfs/dbraw/zinc/25/82/03/403258203.db2.gz IXLNDUCOBGPZOY-MRXNPFEDSA-N 1 3 303.450 2.256 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000342712776 403317717 /nfs/dbraw/zinc/31/77/17/403317717.db2.gz AMZWNGWZERSSNY-XOKHGSTOSA-N 1 3 303.450 2.314 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)N(C)C ZINC000298634544 403429731 /nfs/dbraw/zinc/42/97/31/403429731.db2.gz QUONULMQIHEUQF-KBAYOESNSA-N 1 3 317.477 2.353 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N(C)C ZINC000298634544 403429734 /nfs/dbraw/zinc/42/97/34/403429734.db2.gz QUONULMQIHEUQF-KBAYOESNSA-N 1 3 317.477 2.353 20 0 DEADHO COc1ccc([C@@H](C)[NH2+]C[C@H](O)CN2CCCC2)c(C)c1OC ZINC000285918495 403411212 /nfs/dbraw/zinc/41/12/12/403411212.db2.gz DPOJYDHGXYAKLI-CABCVRRESA-N 1 3 322.449 2.120 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000298739451 403452315 /nfs/dbraw/zinc/45/23/15/403452315.db2.gz OIIJPUPPOXQDFS-IRXDYDNUSA-N 1 3 316.449 2.497 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000298739451 403452319 /nfs/dbraw/zinc/45/23/19/403452319.db2.gz OIIJPUPPOXQDFS-IRXDYDNUSA-N 1 3 316.449 2.497 20 0 DEADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCCN1C1CCCC1 ZINC000343079057 403455893 /nfs/dbraw/zinc/45/58/93/403455893.db2.gz NUHBWNITRVQUBG-YJBOKZPZSA-N 1 3 319.493 2.384 20 0 DEADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCCCN1C1CCCC1 ZINC000343079057 403455896 /nfs/dbraw/zinc/45/58/96/403455896.db2.gz NUHBWNITRVQUBG-YJBOKZPZSA-N 1 3 319.493 2.384 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)CCCN1C ZINC000345792406 403486834 /nfs/dbraw/zinc/48/68/34/403486834.db2.gz UQTKGWKBQZZBQJ-WBVHZDCISA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)N1CCN(C2CC[NH+](CC[C@H]3CCCO3)CC2)CC1 ZINC000346498922 403592381 /nfs/dbraw/zinc/59/23/81/403592381.db2.gz NQUFPPFMVJLWIR-GOSISDBHSA-N 1 3 309.498 2.046 20 0 DEADHO C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(-n2ccnn2)c1 ZINC000287265324 403562864 /nfs/dbraw/zinc/56/28/64/403562864.db2.gz APHJQPPMFWOBDJ-LSDHHAIUSA-N 1 3 311.433 2.402 20 0 DEADHO C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc(-n2ccnn2)c1 ZINC000287265324 403562867 /nfs/dbraw/zinc/56/28/67/403562867.db2.gz APHJQPPMFWOBDJ-LSDHHAIUSA-N 1 3 311.433 2.402 20 0 DEADHO COCCN(C)CCC[NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000340175281 403571757 /nfs/dbraw/zinc/57/17/57/403571757.db2.gz DKYFQQFGECHYPT-OALUTQOASA-N 1 3 319.493 2.380 20 0 DEADHO CCc1nncn1CC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000567008750 292282855 /nfs/dbraw/zinc/28/28/55/292282855.db2.gz XOXRRZQVXLYQIN-UHFFFAOYSA-N 1 3 305.470 2.227 20 0 DEADHO CC(C)[NH+](CCCN[C@@H]1CCC[C@@H](S(C)(=O)=O)C1)C(C)C ZINC000340521261 403636151 /nfs/dbraw/zinc/63/61/51/403636151.db2.gz SFBWYKQCEALNTL-HZPDHXFCSA-N 1 3 318.527 2.441 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)CCN1C ZINC000340857137 403676675 /nfs/dbraw/zinc/67/66/75/403676675.db2.gz FZYVSBBIXCJFNJ-CABCVRRESA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H](c1ccccn1)N1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000343717200 403705703 /nfs/dbraw/zinc/70/57/03/403705703.db2.gz RXUFYYAOKCADQY-CVEARBPZSA-N 1 3 302.466 2.243 20 0 DEADHO C[C@@H](c1ccccn1)N1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000343717200 403705707 /nfs/dbraw/zinc/70/57/07/403705707.db2.gz RXUFYYAOKCADQY-CVEARBPZSA-N 1 3 302.466 2.243 20 0 DEADHO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc3c(c2)CNC3)C1 ZINC000347496176 403730381 /nfs/dbraw/zinc/73/03/81/403730381.db2.gz DADNRUGSVQWRQA-CQSZACIVSA-N 1 3 301.434 2.094 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@H]2CCCN(C)[C@H]2C)C1 ZINC000343787451 403733699 /nfs/dbraw/zinc/73/36/99/403733699.db2.gz AAGHMLHSBYEQRA-YVSFHVDLSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N[C@H]2CCCN(C)[C@H]2C)C1 ZINC000343787451 403733703 /nfs/dbraw/zinc/73/37/03/403733703.db2.gz AAGHMLHSBYEQRA-YVSFHVDLSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@H]1C[C@H](NC(=O)Nc2ccc3c(c2F)CCNC3)CC[N@@H+]1C ZINC000333387140 403740364 /nfs/dbraw/zinc/74/03/64/403740364.db2.gz WYCWPHSMVXDRND-WCQYABFASA-N 1 3 320.412 2.076 20 0 DEADHO C[C@H]1C[C@H](NC(=O)Nc2ccc3c(c2F)CCNC3)CC[N@H+]1C ZINC000333387140 403740366 /nfs/dbraw/zinc/74/03/66/403740366.db2.gz WYCWPHSMVXDRND-WCQYABFASA-N 1 3 320.412 2.076 20 0 DEADHO CCCCNC(=O)[C@@H]1CCCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000351632222 403817440 /nfs/dbraw/zinc/81/74/40/403817440.db2.gz IWTIBLCTSRRVHH-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO CCCCNC(=O)[C@@H]1CCCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000351632222 403817443 /nfs/dbraw/zinc/81/74/43/403817443.db2.gz IWTIBLCTSRRVHH-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO Cc1ccc(OC[C@@H](O)CN2CCC(C[NH+](C)C)CC2)c(C)c1 ZINC000341194052 403819181 /nfs/dbraw/zinc/81/91/81/403819181.db2.gz RJWVLSUOPOOERO-SFHVURJKSA-N 1 3 320.477 2.317 20 0 DEADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCN1CCC[C@H](C)C1 ZINC000351637486 403820620 /nfs/dbraw/zinc/82/06/20/403820620.db2.gz VNSQJXITCCCAJC-JKSUJKDBSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CCN(C2CC2)C1 ZINC000295294628 403838043 /nfs/dbraw/zinc/83/80/43/403838043.db2.gz IWOMJRWUQZCGLE-OAHLLOKOSA-N 1 3 315.461 2.305 20 0 DEADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000347752100 403844906 /nfs/dbraw/zinc/84/49/06/403844906.db2.gz MRUHGQZMMALSBI-IRXDYDNUSA-N 1 3 324.513 2.234 20 0 DEADHO CN1CCC2(CCCN2C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000333765234 403851774 /nfs/dbraw/zinc/85/17/74/403851774.db2.gz BDUQZJCQINVDPU-MRXNPFEDSA-N 1 3 322.497 2.164 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](C)c2ccccc2)CC1 ZINC000411442095 403859921 /nfs/dbraw/zinc/85/99/21/403859921.db2.gz VWFDMADYXQRGDM-OAHLLOKOSA-N 1 3 303.450 2.326 20 0 DEADHO O[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000289178123 403862564 /nfs/dbraw/zinc/86/25/64/403862564.db2.gz AFNSYXPWOBGMHF-INDMIFKZSA-N 1 3 300.446 2.258 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC000341257598 403868915 /nfs/dbraw/zinc/86/89/15/403868915.db2.gz JUFYPENWKBJLFY-KRWDZBQOSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000344042689 403870492 /nfs/dbraw/zinc/87/04/92/403870492.db2.gz BMFHNTZGIYNOCB-XLMAVXFVSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H](C)C[NH+]1CCCC1)N1CCCCC1 ZINC000354579175 403886827 /nfs/dbraw/zinc/88/68/27/403886827.db2.gz OLXRIZAVWNXXPE-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000341324492 403910212 /nfs/dbraw/zinc/91/02/12/403910212.db2.gz MWAXMZFIKBMOAK-YOEHRIQHSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](O)CN(Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H](C)CO ZINC000411613093 403912535 /nfs/dbraw/zinc/91/25/35/403912535.db2.gz JBIABWOTIPWGQD-IAGOWNOFSA-N 1 3 320.477 2.236 20 0 DEADHO CCO[C@@H]1C[C@H](NC[C@H](O)C[NH+]2CCC(C)CC2)C12CCCC2 ZINC000344112565 403916772 /nfs/dbraw/zinc/91/67/72/403916772.db2.gz UUUKSMPIIXPQCC-OKZBNKHCSA-N 1 3 324.509 2.407 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]CCC2(O)CCC2)CC1 ZINC000341352625 403925710 /nfs/dbraw/zinc/92/57/10/403925710.db2.gz BCQWLWMHXRXWGB-UHFFFAOYSA-N 1 3 317.477 2.223 20 0 DEADHO C[C@@H](NCCOCC[NH+](C)C)c1ccc2c(c1)OCCCO2 ZINC000336862453 403936788 /nfs/dbraw/zinc/93/67/88/403936788.db2.gz JJAWTRZHKMLQBL-CQSZACIVSA-N 1 3 308.422 2.077 20 0 DEADHO CCN1C[C@@H](C)[C@@H]([NH2+]CCc2ccc(OCCN(C)C)cc2)C1 ZINC000344143470 403938562 /nfs/dbraw/zinc/93/85/62/403938562.db2.gz ANRRSJQBKDZZSG-APWZRJJASA-N 1 3 319.493 2.099 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000337369091 403982987 /nfs/dbraw/zinc/98/29/87/403982987.db2.gz NTUNSIULXHTFEU-OAHLLOKOSA-N 1 3 310.486 2.033 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)N(C)C)cc1 ZINC000289992247 404013159 /nfs/dbraw/zinc/01/31/59/404013159.db2.gz REXWBUIFFRTXGZ-DJIMGWMZSA-N 1 3 303.450 2.102 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000354793369 404017088 /nfs/dbraw/zinc/01/70/88/404017088.db2.gz JIPJIVQVAVOYAK-IXDOHACOSA-N 1 3 322.497 2.177 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000354793369 404017096 /nfs/dbraw/zinc/01/70/96/404017096.db2.gz JIPJIVQVAVOYAK-IXDOHACOSA-N 1 3 322.497 2.177 20 0 DEADHO CC(C)[NH+](CCNC(=O)N1CC[C@@H](N2CCCCC2)C1)C(C)C ZINC000341453853 403976291 /nfs/dbraw/zinc/97/62/91/403976291.db2.gz BVKGMLHVZGKPBT-QGZVFWFLSA-N 1 3 324.513 2.375 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)C2(N)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000296074397 404080593 /nfs/dbraw/zinc/08/05/93/404080593.db2.gz QAQHFFGEGICYFU-ZBFHGGJFSA-N 1 3 301.434 2.037 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)C2(N)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000296074397 404080600 /nfs/dbraw/zinc/08/06/00/404080600.db2.gz QAQHFFGEGICYFU-ZBFHGGJFSA-N 1 3 301.434 2.037 20 0 DEADHO C[NH+](C)Cc1ccc(CN[C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000352031039 404097139 /nfs/dbraw/zinc/09/71/39/404097139.db2.gz YHWAFEQJDAQZMY-DLBZAZTESA-N 1 3 324.490 2.194 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000363067355 404061686 /nfs/dbraw/zinc/06/16/86/404061686.db2.gz GGVYSLHZDZOZKW-IAGOWNOFSA-N 1 3 316.449 2.497 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000363067355 404061689 /nfs/dbraw/zinc/06/16/89/404061689.db2.gz GGVYSLHZDZOZKW-IAGOWNOFSA-N 1 3 316.449 2.497 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)c1ccsc1 ZINC000341770380 404160809 /nfs/dbraw/zinc/16/08/09/404160809.db2.gz NNBNAFBFOUZLPW-NUEKZKHPSA-N 1 3 323.506 2.445 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccsc1 ZINC000341770380 404160818 /nfs/dbraw/zinc/16/08/18/404160818.db2.gz NNBNAFBFOUZLPW-NUEKZKHPSA-N 1 3 323.506 2.445 20 0 DEADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000349663917 404172432 /nfs/dbraw/zinc/17/24/32/404172432.db2.gz FNVADXKNKTYWMA-DOTOQJQBSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)CC1 ZINC000344621390 404268225 /nfs/dbraw/zinc/26/82/25/404268225.db2.gz SABHCYYIUZSQEX-JKSUJKDBSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H](O)C[N@H+](C)C1CCN(C[C@H](C)CC2CCOCC2)CC1 ZINC000349971471 404279834 /nfs/dbraw/zinc/27/98/34/404279834.db2.gz JRKXXQZTGNTVJM-HZPDHXFCSA-N 1 3 312.498 2.216 20 0 DEADHO C[C@@H](O)C[N@@H+](C)C1CCN(C[C@H](C)CC2CCOCC2)CC1 ZINC000349971471 404279838 /nfs/dbraw/zinc/27/98/38/404279838.db2.gz JRKXXQZTGNTVJM-HZPDHXFCSA-N 1 3 312.498 2.216 20 0 DEADHO C[C@@H](O)CN(C)C1CC[NH+](C[C@H](C)CC2CCOCC2)CC1 ZINC000349971471 404279847 /nfs/dbraw/zinc/27/98/47/404279847.db2.gz JRKXXQZTGNTVJM-HZPDHXFCSA-N 1 3 312.498 2.216 20 0 DEADHO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCC[C@@H]1CCC[N@@H+]1C ZINC000342085721 404356796 /nfs/dbraw/zinc/35/67/96/404356796.db2.gz MXQJGULASBSZDR-BPQIPLTHSA-N 1 3 318.461 2.481 20 0 DEADHO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCC[C@@H]1CCC[N@H+]1C ZINC000342085721 404356800 /nfs/dbraw/zinc/35/68/00/404356800.db2.gz MXQJGULASBSZDR-BPQIPLTHSA-N 1 3 318.461 2.481 20 0 DEADHO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]CC[C@@H]1CCCN1C ZINC000342085721 404356804 /nfs/dbraw/zinc/35/68/04/404356804.db2.gz MXQJGULASBSZDR-BPQIPLTHSA-N 1 3 318.461 2.481 20 0 DEADHO NC1(C[NH2+]CCOc2ccc(OC(F)(F)F)cc2)CCC1 ZINC000342120183 404381316 /nfs/dbraw/zinc/38/13/16/404381316.db2.gz HLAMKAJHWACCGA-UHFFFAOYSA-N 1 3 304.312 2.435 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)N(C)C ZINC000370646543 404400577 /nfs/dbraw/zinc/40/05/77/404400577.db2.gz VYJQMUOQPAXSHS-SJORKVTESA-N 1 3 303.450 2.060 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)N(C)C ZINC000370646543 404400580 /nfs/dbraw/zinc/40/05/80/404400580.db2.gz VYJQMUOQPAXSHS-SJORKVTESA-N 1 3 303.450 2.060 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000350521040 404413213 /nfs/dbraw/zinc/41/32/13/404413213.db2.gz VUCWODMBPNCGNA-IKGGRYGDSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C2CCN(C)CC2)C1 ZINC000345003351 404494921 /nfs/dbraw/zinc/49/49/21/404494921.db2.gz OOKAIMIHEOVCAF-UXLLHSPISA-N 1 3 307.482 2.192 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C2CCN(C)CC2)C1 ZINC000345003351 404494928 /nfs/dbraw/zinc/49/49/28/404494928.db2.gz OOKAIMIHEOVCAF-UXLLHSPISA-N 1 3 307.482 2.192 20 0 DEADHO CCC1CCC([NH2+]CC2(N3CCOCC3)CCN(C)CC2)CC1 ZINC000414203909 404547281 /nfs/dbraw/zinc/54/72/81/404547281.db2.gz VRGISUXYVWBSCC-UHFFFAOYSA-N 1 3 323.525 2.341 20 0 DEADHO COCC[N@H+](C)CC[C@H](NCC1(C)COC1)c1ccccc1 ZINC000352812671 404640481 /nfs/dbraw/zinc/64/04/81/404640481.db2.gz GXVKFAQCCNXEQD-KRWDZBQOSA-N 1 3 306.450 2.322 20 0 DEADHO COCC[N@@H+](C)CC[C@H](NCC1(C)COC1)c1ccccc1 ZINC000352812671 404640485 /nfs/dbraw/zinc/64/04/85/404640485.db2.gz GXVKFAQCCNXEQD-KRWDZBQOSA-N 1 3 306.450 2.322 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CN(C3CC3)C[C@H]2C)[C@@H](C)C1 ZINC000352901167 404686511 /nfs/dbraw/zinc/68/65/11/404686511.db2.gz LBPSBCRGUILLNT-OGWHTMIXSA-N 1 3 323.525 2.196 20 0 DEADHO CC1CCN(C(=O)CN2CCCC3(CC[NH+](C)CC3)C2)CC1 ZINC000374158431 404699386 /nfs/dbraw/zinc/69/93/86/404699386.db2.gz HLFMHTTUUHMITD-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO Cc1nn(-c2cccc(F)c2)cc1CN1CCC(C[NH3+])CC1 ZINC000414655789 404702086 /nfs/dbraw/zinc/70/20/86/404702086.db2.gz MCMGCWVOFNPJCY-UHFFFAOYSA-N 1 3 302.397 2.491 20 0 DEADHO [NH3+]C[C@@H]1CN(Cc2ccc3ncccc3c2)CC12CCOCC2 ZINC000414775997 404731550 /nfs/dbraw/zinc/73/15/50/404731550.db2.gz CSBNNMJHHFBZBW-QGZVFWFLSA-N 1 3 311.429 2.422 20 0 DEADHO c1nc(CNCCCN2CC[NH2+]CC2)sc1-c1ccccc1 ZINC000414777832 404732776 /nfs/dbraw/zinc/73/27/76/404732776.db2.gz HNUHUMQOSRONPY-UHFFFAOYSA-N 1 3 316.474 2.195 20 0 DEADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC1CC[NH2+]CC1 ZINC000414786697 404735546 /nfs/dbraw/zinc/73/55/46/404735546.db2.gz XRMVLCGCVBSNHW-CYBMUJFWSA-N 1 3 323.868 2.419 20 0 DEADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C1CCNCC1 ZINC000414786697 404735550 /nfs/dbraw/zinc/73/55/50/404735550.db2.gz XRMVLCGCVBSNHW-CYBMUJFWSA-N 1 3 323.868 2.419 20 0 DEADHO C[C@H](NC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)C1=CCN(C)CC1 ZINC000357853330 404746271 /nfs/dbraw/zinc/74/62/71/404746271.db2.gz PJNISXJJSZWHDZ-JYJNAYRXSA-N 1 3 322.497 2.199 20 0 DEADHO C[C@H](NC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C)C1=CCN(C)CC1 ZINC000357853330 404746275 /nfs/dbraw/zinc/74/62/75/404746275.db2.gz PJNISXJJSZWHDZ-JYJNAYRXSA-N 1 3 322.497 2.199 20 0 DEADHO CN(c1ccccc1CN[C@@H]1CCC[NH2+]C1)C1CCN(C)CC1 ZINC000414871313 404753292 /nfs/dbraw/zinc/75/32/92/404753292.db2.gz ULBPCHNTQOEAJE-QGZVFWFLSA-N 1 3 316.493 2.059 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000358179323 404755456 /nfs/dbraw/zinc/75/54/56/404755456.db2.gz ZMYGIPLJZUHYMB-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000358179323 404755459 /nfs/dbraw/zinc/75/54/59/404755459.db2.gz ZMYGIPLJZUHYMB-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO CN(c1ccccc1CNC[C@H]([NH3+])C1CC1)C1CCN(C)CC1 ZINC000414882697 404757413 /nfs/dbraw/zinc/75/74/13/404757413.db2.gz CELZYRVOIMAMNK-SFHVURJKSA-N 1 3 316.493 2.044 20 0 DEADHO C[C@@H](C[NH3+])CN[C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000414885850 404758095 /nfs/dbraw/zinc/75/80/95/404758095.db2.gz XPGNCBMXKGAHPB-STQMWFEESA-N 1 3 311.857 2.261 20 0 DEADHO C[C@@H](CN)C[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000414885850 404758099 /nfs/dbraw/zinc/75/80/99/404758099.db2.gz XPGNCBMXKGAHPB-STQMWFEESA-N 1 3 311.857 2.261 20 0 DEADHO C[C@H](CN)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000414926590 404768345 /nfs/dbraw/zinc/76/83/45/404768345.db2.gz JYDTZOHICVNJLZ-SSDOTTSWSA-N 1 3 309.154 2.487 20 0 DEADHO CC1(C)CCCN[C@H]1C[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000414929251 404768953 /nfs/dbraw/zinc/76/89/53/404768953.db2.gz ODHAKSMDEQEPPM-SFHVURJKSA-N 1 3 316.493 2.414 20 0 DEADHO CC1(C)CCC[NH2+][C@H]1CNC1CCN(Cc2cccnc2)CC1 ZINC000414929251 404768958 /nfs/dbraw/zinc/76/89/58/404768958.db2.gz ODHAKSMDEQEPPM-SFHVURJKSA-N 1 3 316.493 2.414 20 0 DEADHO Cc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CCCN(C(=O)CN)C2)s1 ZINC000414696357 404710458 /nfs/dbraw/zinc/71/04/58/404710458.db2.gz PGGQMGFMKSSIJF-HUUCEWRRSA-N 1 3 321.490 2.391 20 0 DEADHO Cc1ccc([C@H]2CCC[N@H+]2C[C@H]2CCCN(C(=O)CN)C2)s1 ZINC000414696357 404710461 /nfs/dbraw/zinc/71/04/61/404710461.db2.gz PGGQMGFMKSSIJF-HUUCEWRRSA-N 1 3 321.490 2.391 20 0 DEADHO Cc1nc(N2CCN(C[C@H]3CC[NH2+][C@@H](C)C3)CC2)sc1C ZINC000414711430 404714510 /nfs/dbraw/zinc/71/45/10/404714510.db2.gz SLEZIIJYZBIXIY-WFASDCNBSA-N 1 3 308.495 2.270 20 0 DEADHO O=C(CN1CCC([C@@H]2CC[NH2+]C2)CC1)N(C1CC1)C1CCCC1 ZINC000357066949 404726302 /nfs/dbraw/zinc/72/63/02/404726302.db2.gz DEOMBTNTISUSQZ-MRXNPFEDSA-N 1 3 319.493 2.242 20 0 DEADHO CCc1ccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000414968756 404778763 /nfs/dbraw/zinc/77/87/63/404778763.db2.gz GHUBSAFKFZRPIG-OAHLLOKOSA-N 1 3 315.383 2.175 20 0 DEADHO CO[C@]1(C)CCC[N@H+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000375965704 404780845 /nfs/dbraw/zinc/78/08/45/404780845.db2.gz YVRFSFNBLLFRGU-GOSISDBHSA-N 1 3 311.514 2.294 20 0 DEADHO CO[C@]1(C)CCC[N@@H+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000375965704 404780849 /nfs/dbraw/zinc/78/08/49/404780849.db2.gz YVRFSFNBLLFRGU-GOSISDBHSA-N 1 3 311.514 2.294 20 0 DEADHO CNC(=O)c1cccc(CCN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000415082907 404803851 /nfs/dbraw/zinc/80/38/51/404803851.db2.gz MQAOMYJRPCFVML-YJBOKZPZSA-N 1 3 317.477 2.489 20 0 DEADHO COc1ccc(-n2ccc(CNC3CCC([NH3+])CC3)n2)cc1 ZINC000415096568 404806666 /nfs/dbraw/zinc/80/66/66/404806666.db2.gz BKZUYRXGLTYBCS-UHFFFAOYSA-N 1 3 300.406 2.240 20 0 DEADHO NCC(=O)N1CCC[C@H](C[NH2+][C@H]2CCSc3ccccc32)C1 ZINC000415104299 404808210 /nfs/dbraw/zinc/80/82/10/404808210.db2.gz LAOUQKDUDPYEDP-HIFRSBDPSA-N 1 3 319.474 2.010 20 0 DEADHO C[C@@H](NC[C@@H]1C[C@H](F)CN1Cc1cccs1)[C@@H]1CC[NH2+]C1 ZINC000415108660 404810162 /nfs/dbraw/zinc/81/01/62/404810162.db2.gz QJWFZFJZFLXXHZ-KBXIAJHMSA-N 1 3 311.470 2.248 20 0 DEADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3cccc4c3NCC4)CC2)C1 ZINC000415128306 404813768 /nfs/dbraw/zinc/81/37/68/404813768.db2.gz SEXNBPAPBJWZLR-ROUUACIJSA-N 1 3 315.461 2.373 20 0 DEADHO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccccc1CCN(C)C ZINC000415554886 404882913 /nfs/dbraw/zinc/88/29/13/404882913.db2.gz BNWPGLUDSTWIHI-HNNXBMFYSA-N 1 3 304.438 2.006 20 0 DEADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@H](CO)[C@H]2CCOC2)CC1 ZINC000360883986 404844733 /nfs/dbraw/zinc/84/47/33/404844733.db2.gz MIRCLCFOROGEOX-DFEOGRTESA-N 1 3 324.509 2.264 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000423977929 404956401 /nfs/dbraw/zinc/95/64/01/404956401.db2.gz WGDVUPOPTBTFHD-HLLBOEOZSA-N 1 3 303.450 2.456 20 0 DEADHO C[C@H]1C[C@H](CCNC(=O)C2(N)CCC2)C[N@@H+]1Cc1ccccc1 ZINC000423902021 404921775 /nfs/dbraw/zinc/92/17/75/404921775.db2.gz LLUOMGUXPOKXGF-RDJZCZTQSA-N 1 3 315.461 2.285 20 0 DEADHO C[C@H]1C[C@H](CCNC(=O)C2(N)CCC2)C[N@H+]1Cc1ccccc1 ZINC000423902021 404921780 /nfs/dbraw/zinc/92/17/80/404921780.db2.gz LLUOMGUXPOKXGF-RDJZCZTQSA-N 1 3 315.461 2.285 20 0 DEADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000361108746 404921896 /nfs/dbraw/zinc/92/18/96/404921896.db2.gz KUSFTGGCAXNVCU-YZGWKJHDSA-N 1 3 315.505 2.481 20 0 DEADHO C[C@@H](CCC[NH3+])NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000416835671 404927796 /nfs/dbraw/zinc/92/77/96/404927796.db2.gz FUJQWBDWAOCRSV-KBPBESRZSA-N 1 3 324.494 2.312 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000416846489 404932727 /nfs/dbraw/zinc/93/27/27/404932727.db2.gz UFVCURVNLDLABG-IAGOWNOFSA-N 1 3 318.465 2.202 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)N[C@H](C)CCC[NH3+])N(C)C)cc1 ZINC000416846121 404932919 /nfs/dbraw/zinc/93/29/19/404932919.db2.gz SYVWOJYAEOYHED-RHSMWYFYSA-N 1 3 320.481 2.278 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)NCC[C@H](C)[NH3+])c1ccccc1 ZINC000416845621 404933455 /nfs/dbraw/zinc/93/34/55/404933455.db2.gz RWCZKPGJUGSLQC-HOCLYGCPSA-N 1 3 306.454 2.106 20 0 DEADHO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1cccc(CN2CCCC2)c1 ZINC000423957813 404947212 /nfs/dbraw/zinc/94/72/12/404947212.db2.gz PVHDRNSYJKTEIF-MRXNPFEDSA-N 1 3 303.450 2.386 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CC34CCCC4)CC2)CC1 ZINC000354012932 405002325 /nfs/dbraw/zinc/00/23/25/405002325.db2.gz BLZAULDLTDMVLB-KRWDZBQOSA-N 1 3 319.493 2.242 20 0 DEADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc2c(c1)CNC2 ZINC000416016452 405007030 /nfs/dbraw/zinc/00/70/30/405007030.db2.gz VEWGRQINMIATJP-ZDUSSCGKSA-N 1 3 316.449 2.484 20 0 DEADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCCN1CCC[C@@H](C)C1 ZINC000361283525 405007518 /nfs/dbraw/zinc/00/75/18/405007518.db2.gz YPKUXDLHNUOMLV-SJORKVTESA-N 1 3 324.513 2.282 20 0 DEADHO CN(C)Cc1cccc(CNC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000417063171 405023552 /nfs/dbraw/zinc/02/35/52/405023552.db2.gz HUYHYSLWLCEPHU-RDJZCZTQSA-N 1 3 318.465 2.065 20 0 DEADHO CC(C)[C@@H](C[NH3+])C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000379665417 405027395 /nfs/dbraw/zinc/02/73/95/405027395.db2.gz SNKAOWOFQOPITG-QZTJIDSGSA-N 1 3 317.477 2.388 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000379660717 405027750 /nfs/dbraw/zinc/02/77/50/405027750.db2.gz CTWLGSUDULWYBJ-NXHRZFHOSA-N 1 3 317.477 2.387 20 0 DEADHO CN(CCN1CCCC1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416152872 405038182 /nfs/dbraw/zinc/03/81/82/405038182.db2.gz ZKNDHISGQBBFQC-QGZVFWFLSA-N 1 3 303.450 2.234 20 0 DEADHO O=C(c1ccco1)N1CCC([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000361344268 405031388 /nfs/dbraw/zinc/03/13/88/405031388.db2.gz SKYPTXRKBDWHEO-JKSUJKDBSA-N 1 3 317.433 2.101 20 0 DEADHO O=C(c1ccco1)N1CCC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000361344268 405031396 /nfs/dbraw/zinc/03/13/96/405031396.db2.gz SKYPTXRKBDWHEO-JKSUJKDBSA-N 1 3 317.433 2.101 20 0 DEADHO O=C(c1ccco1)N1CCC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000361344268 405031402 /nfs/dbraw/zinc/03/14/02/405031402.db2.gz SKYPTXRKBDWHEO-JKSUJKDBSA-N 1 3 317.433 2.101 20 0 DEADHO CN(C)[C@H](CC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000416135337 405031557 /nfs/dbraw/zinc/03/15/57/405031557.db2.gz OQMGLVHMKLFYCI-RCCFBDPRSA-N 1 3 315.461 2.422 20 0 DEADHO CN(C)[C@H](CC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000416135337 405031561 /nfs/dbraw/zinc/03/15/61/405031561.db2.gz OQMGLVHMKLFYCI-RCCFBDPRSA-N 1 3 315.461 2.422 20 0 DEADHO CCC[C@H](C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)N(C)C ZINC000424029697 404976610 /nfs/dbraw/zinc/97/66/10/404976610.db2.gz DICVQZIPIWIJAI-IXDOHACOSA-N 1 3 321.440 2.199 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CCCN1C ZINC000415977662 404992393 /nfs/dbraw/zinc/99/23/93/404992393.db2.gz SWDARRHNPNHVCN-RISCZKNCSA-N 1 3 320.412 2.076 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)NCCC[NH2+]C)c1ccsc1 ZINC000417001770 404993081 /nfs/dbraw/zinc/99/30/81/404993081.db2.gz FOFGMNMCCVBKRX-AWEZNQCLSA-N 1 3 312.483 2.040 20 0 DEADHO CCN(CCC(=O)Nc1cccc(OC)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435611305 404996037 /nfs/dbraw/zinc/99/60/37/404996037.db2.gz AGXUUPKHQOMKAQ-MRXNPFEDSA-N 1 3 319.449 2.488 20 0 DEADHO CC[N@H+](CCC(=O)Nc1cccc(OC)c1)[C@@H]1CCCNCC1 ZINC000435611305 404996038 /nfs/dbraw/zinc/99/60/38/404996038.db2.gz AGXUUPKHQOMKAQ-MRXNPFEDSA-N 1 3 319.449 2.488 20 0 DEADHO CC[N@@H+](CCC(=O)Nc1cccc(OC)c1)[C@@H]1CCCNCC1 ZINC000435611305 404996039 /nfs/dbraw/zinc/99/60/39/404996039.db2.gz AGXUUPKHQOMKAQ-MRXNPFEDSA-N 1 3 319.449 2.488 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000389875876 405041311 /nfs/dbraw/zinc/04/13/11/405041311.db2.gz LRGIZRPCXBEQSR-AHCXZYCDSA-N 1 3 315.461 2.011 20 0 DEADHO O=C(C[C@@H]1CCC[NH2+]C1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000390717209 405047672 /nfs/dbraw/zinc/04/76/72/405047672.db2.gz CWVWWSXGUPKUIG-ROUUACIJSA-N 1 3 315.461 2.157 20 0 DEADHO C[C@@H]1[C@H](NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CCCN1C ZINC000416198345 405054470 /nfs/dbraw/zinc/05/44/70/405054470.db2.gz JVUZGBZGSYVHFB-OIISXLGYSA-N 1 3 303.450 2.278 20 0 DEADHO C[C@H](CNC(=O)NC[C@H](N)c1ccccc1)C[NH+]1CCCCC1 ZINC000417195223 405058613 /nfs/dbraw/zinc/05/86/13/405058613.db2.gz QFQFIPADVHIYNR-WBVHZDCISA-N 1 3 318.465 2.108 20 0 DEADHO COc1ccc([C@H](C)NCC2(O)CC[NH+](C)CC2)c(Cl)c1 ZINC000424296417 405061282 /nfs/dbraw/zinc/06/12/82/405061282.db2.gz FUYUQOBYXVCBBU-LBPRGKRZSA-N 1 3 312.841 2.456 20 0 DEADHO C[C@@H](C1CC1)N(C(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)C1CC1 ZINC000424298030 405061602 /nfs/dbraw/zinc/06/16/02/405061602.db2.gz TUKMTJJYDPYBBB-GJZGRUSLSA-N 1 3 319.493 2.240 20 0 DEADHO CCN(CCC[NH+](C)C)C(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416219278 405061630 /nfs/dbraw/zinc/06/16/30/405061630.db2.gz WRJILTUAYJAXLG-KRWDZBQOSA-N 1 3 305.466 2.480 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000417218611 405065397 /nfs/dbraw/zinc/06/53/97/405065397.db2.gz HFWWLEAACBSSJK-INMHGKMJSA-N 1 3 318.465 2.249 20 0 DEADHO CN1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1=O ZINC000354160024 405073730 /nfs/dbraw/zinc/07/37/30/405073730.db2.gz AFTWSCOOMDMBJR-XFYFCPPXSA-N 1 3 313.445 2.002 20 0 DEADHO CN(C)CCOc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000424412765 405086231 /nfs/dbraw/zinc/08/62/31/405086231.db2.gz DPKCUZRMGRNXGF-HZPDHXFCSA-N 1 3 320.437 2.018 20 0 DEADHO Cc1ccc([C@H](CNC(=O)NC[C@@H](C)C[NH3+])N2CCCC2)cc1 ZINC000417350737 405086832 /nfs/dbraw/zinc/08/68/32/405086832.db2.gz BBSMUWRKQREHDI-RDJZCZTQSA-N 1 3 318.465 2.026 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H]1CCC[NH2+]C1)c1ccco1 ZINC000418163724 405114586 /nfs/dbraw/zinc/11/45/86/405114586.db2.gz HONYFNSIMPYCHE-SOUVJXGZSA-N 1 3 322.453 2.008 20 0 DEADHO CN(Cc1ccccc1)C1(CNC(=O)NCC(C)(C)[NH3+])CCC1 ZINC000418236545 405119042 /nfs/dbraw/zinc/11/90/42/405119042.db2.gz BRGDPDIWHQHHPN-UHFFFAOYSA-N 1 3 318.465 2.078 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000418339731 405122011 /nfs/dbraw/zinc/12/20/11/405122011.db2.gz BLFJINCPIQMCPS-KBRIMQKVSA-N 1 3 318.465 2.250 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000418601815 405134659 /nfs/dbraw/zinc/13/46/59/405134659.db2.gz MBZGCDVDFIATGF-CVEARBPZSA-N 1 3 310.486 2.034 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000418644674 405147855 /nfs/dbraw/zinc/14/78/55/405147855.db2.gz QNKMATVAMHXQHQ-PMPSAXMXSA-N 1 3 322.497 2.033 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@@H](C)CCCC[NH3+] ZINC000418645733 405147887 /nfs/dbraw/zinc/14/78/87/405147887.db2.gz DKNKNAABVSTIKR-XJKSGUPXSA-N 1 3 306.454 2.066 20 0 DEADHO Cc1ccc(CCCNC[C@@H](O)C[NH+]2CCC(C)CC2)cn1 ZINC000354349856 405170374 /nfs/dbraw/zinc/17/03/74/405170374.db2.gz VOSFFRGJBKVEIO-GOSISDBHSA-N 1 3 305.466 2.005 20 0 DEADHO Cc1ccc(CCCNC[C@H](O)C[NH+]2CCC(C)CC2)cn1 ZINC000354349857 405170425 /nfs/dbraw/zinc/17/04/25/405170425.db2.gz VOSFFRGJBKVEIO-SFHVURJKSA-N 1 3 305.466 2.005 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H](C)CCCc2cccnc2)CC1 ZINC000453078888 405282318 /nfs/dbraw/zinc/28/23/18/405282318.db2.gz KTBNFQXYAQQBHR-SFHVURJKSA-N 1 3 318.509 2.410 20 0 DEADHO COc1ccc([C@@H](C[NH3+])CN2CCN(CC(C)C)CC2)cc1 ZINC000420293820 405309157 /nfs/dbraw/zinc/30/91/57/405309157.db2.gz AMINUPRHZJTYNL-KRWDZBQOSA-N 1 3 305.466 2.011 20 0 DEADHO Cc1ccc(OC2CCN(CCN3CC[NH2+]CC3)CC2)cc1C ZINC000420315939 405317015 /nfs/dbraw/zinc/31/70/15/405317015.db2.gz LYWRCABUHLODIC-UHFFFAOYSA-N 1 3 317.477 2.052 20 0 DEADHO O=C(CC1CCCC1)N1CCCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000420317099 405317036 /nfs/dbraw/zinc/31/70/36/405317036.db2.gz NCCQYBKZBFGEJP-QGZVFWFLSA-N 1 3 307.482 2.101 20 0 DEADHO [NH3+]C[C@@H]1CN(CCOc2ccc(Cl)cc2)CC12CCOCC2 ZINC000420328487 405321593 /nfs/dbraw/zinc/32/15/93/405321593.db2.gz MPELBCQNRSEZHU-CQSZACIVSA-N 1 3 324.852 2.406 20 0 DEADHO CC(C)N(C(=O)[C@H](C)N1CCC([C@@H]2CCC[NH2+]2)CC1)C(C)C ZINC000420331405 405322030 /nfs/dbraw/zinc/32/20/30/405322030.db2.gz BXJYWLHMHXAQDK-RDJZCZTQSA-N 1 3 309.498 2.484 20 0 DEADHO C[C@@H](C1CC1)N(C(=O)CN1CCC([C@@H]2CCC[NH2+]2)CC1)C1CC1 ZINC000420333549 405323475 /nfs/dbraw/zinc/32/34/75/405323475.db2.gz HRRAJBLOEXCILK-KSSFIOAISA-N 1 3 319.493 2.240 20 0 DEADHO C[C@H](C(=O)Nc1ccccc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420346766 405328155 /nfs/dbraw/zinc/32/81/55/405328155.db2.gz YZSAYYLVXLQMNI-OWCLPIDISA-N 1 3 301.434 2.335 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)[N@@H+]1CCCC[C@H]1C ZINC000440903723 405330163 /nfs/dbraw/zinc/33/01/63/405330163.db2.gz ATTLSHCELJSQME-KLHDSHLOSA-N 1 3 322.497 2.174 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)[N@H+]1CCCC[C@H]1C ZINC000440903723 405330164 /nfs/dbraw/zinc/33/01/64/405330164.db2.gz ATTLSHCELJSQME-KLHDSHLOSA-N 1 3 322.497 2.174 20 0 DEADHO CC(C)C[C@H]1OCCC[C@H]1[NH2+]C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420399800 405344160 /nfs/dbraw/zinc/34/41/60/405344160.db2.gz IDTMSINLIANLHV-ZSYWTGECSA-N 1 3 320.477 2.101 20 0 DEADHO CC(C)C[C@H]1OCCC[C@H]1NC[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420399800 405344163 /nfs/dbraw/zinc/34/41/63/405344163.db2.gz IDTMSINLIANLHV-ZSYWTGECSA-N 1 3 320.477 2.101 20 0 DEADHO COC(=O)[C@@H](CC[N@@H+]1CC[C@]2(CCN(C)C2)C1)c1ccccc1 ZINC000425445264 405291722 /nfs/dbraw/zinc/29/17/22/405291722.db2.gz MNMXLCZAVDYPMC-HKUYNNGSSA-N 1 3 316.445 2.361 20 0 DEADHO COC(=O)[C@@H](CC[N@H+]1CC[C@]2(CCN(C)C2)C1)c1ccccc1 ZINC000425445264 405291723 /nfs/dbraw/zinc/29/17/23/405291723.db2.gz MNMXLCZAVDYPMC-HKUYNNGSSA-N 1 3 316.445 2.361 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000439781321 405292247 /nfs/dbraw/zinc/29/22/47/405292247.db2.gz JILZCQDFRQTEOZ-FUHWJXTLSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000439781321 405292250 /nfs/dbraw/zinc/29/22/50/405292250.db2.gz JILZCQDFRQTEOZ-FUHWJXTLSA-N 1 3 321.509 2.488 20 0 DEADHO [NH3+]CCNC(=O)[C@H]1CCCN([C@H]2CCc3c2cccc3Cl)C1 ZINC000420284026 405306790 /nfs/dbraw/zinc/30/67/90/405306790.db2.gz CHDUNKIFJAPBOV-LRDDRELGSA-N 1 3 321.852 2.114 20 0 DEADHO C[C@H](CNC(=O)NC1CCC([NH+](C)C)CC1)N1CCC[C@@H](C)C1 ZINC000420782748 405383331 /nfs/dbraw/zinc/38/33/31/405383331.db2.gz DTCDESMVLJWEFI-NUWOQIAWSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)C[C@H]1CCCN1C ZINC000420785511 405383735 /nfs/dbraw/zinc/38/37/35/405383735.db2.gz UPTZVSQLPXIJCJ-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(C)C[C@H]1CCCN1C ZINC000420785511 405383736 /nfs/dbraw/zinc/38/37/36/405383736.db2.gz UPTZVSQLPXIJCJ-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO CN(C)[C@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000427314812 405399498 /nfs/dbraw/zinc/39/94/98/405399498.db2.gz MWXTVNRXVTVAPN-ROUUACIJSA-N 1 3 317.477 2.055 20 0 DEADHO NC[C@@H](NC(=O)C1(C[NH3+])CCCC1)c1ccc2ccccc2c1 ZINC000447453923 405415061 /nfs/dbraw/zinc/41/50/61/405415061.db2.gz WXFAHBZMHKRGDQ-QGZVFWFLSA-N 1 3 311.429 2.475 20 0 DEADHO CCN1CCC([N@@H+]2CCCN(CCc3cccnc3)CC2)CC1 ZINC000420973403 405417827 /nfs/dbraw/zinc/41/78/27/405417827.db2.gz CHMCMQZDPWMMSS-UHFFFAOYSA-N 1 3 316.493 2.116 20 0 DEADHO CCN1CCC([N@H+]2CCCN(CCc3cccnc3)CC2)CC1 ZINC000420973403 405417828 /nfs/dbraw/zinc/41/78/28/405417828.db2.gz CHMCMQZDPWMMSS-UHFFFAOYSA-N 1 3 316.493 2.116 20 0 DEADHO C[C@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)N1CCCC[C@H]1C ZINC000446136521 405373697 /nfs/dbraw/zinc/37/36/97/405373697.db2.gz FXBRGNQOFHTEGL-HZPDHXFCSA-N 1 3 324.513 2.375 20 0 DEADHO CCN(Cc1ccc(C(=O)N2CCC[C@H]2C[NH3+])cc1)C1CC1 ZINC000429660779 405442398 /nfs/dbraw/zinc/44/23/98/405442398.db2.gz OLDFJYYECCFNCQ-KRWDZBQOSA-N 1 3 301.434 2.234 20 0 DEADHO CC[NH2+]CC1CCN(CC(=O)N([C@@H](C)C2CC2)C2CC2)CC1 ZINC000430596759 405464473 /nfs/dbraw/zinc/46/44/73/405464473.db2.gz PFBJSMXKNUJHQI-AWEZNQCLSA-N 1 3 307.482 2.097 20 0 DEADHO CO[C@H](CNC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CCOC1 ZINC000638453551 405478484 /nfs/dbraw/zinc/47/84/84/405478484.db2.gz FEZJEGHHRZJNTI-SJLPKXTDSA-N 1 3 310.482 2.282 20 0 DEADHO CO[C@H](C[NH2+]C1CCN(CC2CCCC2)CC1)[C@@H]1CCOC1 ZINC000638453551 405478493 /nfs/dbraw/zinc/47/84/93/405478493.db2.gz FEZJEGHHRZJNTI-SJLPKXTDSA-N 1 3 310.482 2.282 20 0 DEADHO C[C@H](CS(=O)(=O)c1ccccc1)NC1CCC([NH+](C)C)CC1 ZINC000421376629 405479922 /nfs/dbraw/zinc/47/99/22/405479922.db2.gz RUSILYVPKOEOTP-QQFBHYJXSA-N 1 3 324.490 2.311 20 0 DEADHO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C1CCC(N(C)C)CC1 ZINC000421376629 405479927 /nfs/dbraw/zinc/47/99/27/405479927.db2.gz RUSILYVPKOEOTP-QQFBHYJXSA-N 1 3 324.490 2.311 20 0 DEADHO C[C@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCCC[C@H]1C ZINC000430764452 405503223 /nfs/dbraw/zinc/50/32/23/405503223.db2.gz SCFXAYDVATVLQO-DQIHPLBOSA-N 1 3 307.482 2.286 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC(C)(C)C[NH+](C)C ZINC000458630009 405512506 /nfs/dbraw/zinc/51/25/06/405512506.db2.gz ZHMLUXNCGDZTNL-OAHLLOKOSA-N 1 3 320.481 2.146 20 0 DEADHO O=C1C[C@H](NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)CCCN1 ZINC000638522182 405524461 /nfs/dbraw/zinc/52/44/61/405524461.db2.gz NVMBSPCDIFVLRS-SJORKVTESA-N 1 3 307.482 2.289 20 0 DEADHO O=C1C[C@H](NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CCCN1 ZINC000638522182 405524469 /nfs/dbraw/zinc/52/44/69/405524469.db2.gz NVMBSPCDIFVLRS-SJORKVTESA-N 1 3 307.482 2.289 20 0 DEADHO C[NH2+]CC1CCN([C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000430942621 405539771 /nfs/dbraw/zinc/53/97/71/405539771.db2.gz MLTXUGQIDRBKIZ-UONOGXRCSA-N 1 3 321.440 2.323 20 0 DEADHO C[C@@H]1CN(CCC(=O)N[C@H]2CCCc3ccccc32)CC[C@H]1[NH3+] ZINC000430945040 405541051 /nfs/dbraw/zinc/54/10/51/405541051.db2.gz VTGVALNDVWEOFX-OLMNPRSZSA-N 1 3 315.461 2.239 20 0 DEADHO C[C@@H](c1ccccc1)N(C)C(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000431038448 405566011 /nfs/dbraw/zinc/56/60/11/405566011.db2.gz OFYQLKZVBZYLGH-INIZCTEOSA-N 1 3 315.461 2.282 20 0 DEADHO CC(C)N1CC[C@H](N(C)C(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000458706738 405550737 /nfs/dbraw/zinc/55/07/37/405550737.db2.gz ZLMZSEIGSLVHPU-INIZCTEOSA-N 1 3 324.513 2.233 20 0 DEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458741916 405566314 /nfs/dbraw/zinc/56/63/14/405566314.db2.gz NEJOOWKNXQXEDN-JKSUJKDBSA-N 1 3 324.513 2.138 20 0 DEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458741916 405566323 /nfs/dbraw/zinc/56/63/23/405566323.db2.gz NEJOOWKNXQXEDN-JKSUJKDBSA-N 1 3 324.513 2.138 20 0 DEADHO CN(CC(=O)NCc1ccc(CC[NH+](C)C)cc1)CC(C)(C)C ZINC000635850494 405553686 /nfs/dbraw/zinc/55/36/86/405553686.db2.gz LZMWDXRLDJWGNY-UHFFFAOYSA-N 1 3 319.493 2.385 20 0 DEADHO CCc1nccn1[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000557592988 405609642 /nfs/dbraw/zinc/60/96/42/405609642.db2.gz LAGWUXAOASQVLV-HNNXBMFYSA-N 1 3 318.465 2.341 20 0 DEADHO C[C@@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)N(C)C ZINC000449555169 405612217 /nfs/dbraw/zinc/61/22/17/405612217.db2.gz FXZSCSFDPRGEJG-DSLXNQLJSA-N 1 3 301.478 2.437 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc(F)c2N)C[C@@H](C)O1 ZINC000638681423 405614120 /nfs/dbraw/zinc/61/41/20/405614120.db2.gz LSGASAVEEZDGFM-ZIAGYGMSSA-N 1 3 309.429 2.387 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000431062783 405569248 /nfs/dbraw/zinc/56/92/48/405569248.db2.gz UADUBLNNCKYHQV-PVAVHDDUSA-N 1 3 301.434 2.080 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000431062781 405569282 /nfs/dbraw/zinc/56/92/82/405569282.db2.gz UADUBLNNCKYHQV-HYVNUMGLSA-N 1 3 301.434 2.080 20 0 DEADHO CN(C[C@@H]1CCCN1C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000422039257 405657725 /nfs/dbraw/zinc/65/77/25/405657725.db2.gz RCGFMMIBYDQEHL-RDJZCZTQSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C[C@@H]1CCCN1C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000422039257 405657729 /nfs/dbraw/zinc/65/77/29/405657729.db2.gz RCGFMMIBYDQEHL-RDJZCZTQSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C(=O)CCCC[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000580686472 405666815 /nfs/dbraw/zinc/66/68/15/405666815.db2.gz JLNUXERROVMCGR-GOSISDBHSA-N 1 3 317.477 2.451 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000580713820 405672639 /nfs/dbraw/zinc/67/26/39/405672639.db2.gz ABVBFNLJVLYZEB-DLBZAZTESA-N 1 3 321.509 2.486 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CCCN1C ZINC000431770701 405673115 /nfs/dbraw/zinc/67/31/15/405673115.db2.gz LSPJWOBXYQFPOW-GVDBMIGSSA-N 1 3 324.513 2.280 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC1CCN(C)CC1 ZINC000431869856 405687900 /nfs/dbraw/zinc/68/79/00/405687900.db2.gz GYRNGYBJCFLVAK-RDJZCZTQSA-N 1 3 324.513 2.280 20 0 DEADHO CN(C(=O)C1CCN(Cc2ccccc2)CC1)C1(C[NH3+])CCC1 ZINC000449682409 405689492 /nfs/dbraw/zinc/68/94/92/405689492.db2.gz GVRZXJVISGMRQR-UHFFFAOYSA-N 1 3 315.461 2.238 20 0 DEADHO OC[C@H](Cc1ccc(F)cc1)N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423078750 405700061 /nfs/dbraw/zinc/70/00/61/405700061.db2.gz PEGQRPCJBJMETL-XLAORIBOSA-N 1 3 306.425 2.239 20 0 DEADHO CC(C)N1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000457089800 405693032 /nfs/dbraw/zinc/69/30/32/405693032.db2.gz LLGZBZUAFMOVPJ-DLBZAZTESA-N 1 3 307.482 2.335 20 0 DEADHO CC(C)N1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000457089800 405693040 /nfs/dbraw/zinc/69/30/40/405693040.db2.gz LLGZBZUAFMOVPJ-DLBZAZTESA-N 1 3 307.482 2.335 20 0 DEADHO COc1ccc([C@H](CN[C@@H]2CCC[C@@H]2C[NH3+])N(C)C)cc1OC ZINC000422987737 405693216 /nfs/dbraw/zinc/69/32/16/405693216.db2.gz IYGFWZFAEXGGFC-OAGGEKHMSA-N 1 3 321.465 2.024 20 0 DEADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000449720061 405707793 /nfs/dbraw/zinc/70/77/93/405707793.db2.gz IECMPXOXWWHRNC-RHSMWYFYSA-N 1 3 301.434 2.140 20 0 DEADHO CC(C)[C@H](C(=O)NCCCN1CCc2ccccc2C1)[C@@H](C)[NH3+] ZINC000423319230 405757558 /nfs/dbraw/zinc/75/75/58/405757558.db2.gz DHMVSMQZGYFQFO-QAPCUYQASA-N 1 3 317.477 2.170 20 0 DEADHO C[C@@H](O)[C@H](C)[NH2+]CCCOC1CCN(Cc2ccccc2)CC1 ZINC000583560036 405760419 /nfs/dbraw/zinc/76/04/19/405760419.db2.gz SFAPECFRLOHTHK-DLBZAZTESA-N 1 3 320.477 2.417 20 0 DEADHO C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H]2CN2CCCC2)cc1 ZINC000423359336 405776056 /nfs/dbraw/zinc/77/60/56/405776056.db2.gz OXCRYBGMXWQXDW-RHSMWYFYSA-N 1 3 301.434 2.407 20 0 DEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000423372796 405782331 /nfs/dbraw/zinc/78/23/31/405782331.db2.gz HDWGPGRGRYNBDB-HPFXQQBRSA-N 1 3 302.466 2.152 20 0 DEADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C[C@@H]2CCSC2)CC1 ZINC000494946849 405785995 /nfs/dbraw/zinc/78/59/95/405785995.db2.gz IVBBITAHCJWGDR-ZACQAIPSSA-N 1 3 311.539 2.230 20 0 DEADHO C[NH+](C)CCCOc1cccc(NC(=O)[C@H](N)C2CCC2)c1 ZINC000423396287 405788020 /nfs/dbraw/zinc/78/80/20/405788020.db2.gz BEESNMNCLQTNAQ-MRXNPFEDSA-N 1 3 305.422 2.083 20 0 DEADHO C[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccsc1 ZINC000423397964 405790809 /nfs/dbraw/zinc/79/08/09/405790809.db2.gz VGNNHLCKSUSYJN-JQWIXIFHSA-N 1 3 307.385 2.235 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423398272 405790925 /nfs/dbraw/zinc/79/09/25/405790925.db2.gz UGVFJDOSWNSQET-MJBXVCDLSA-N 1 3 305.422 2.272 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000423398272 405790928 /nfs/dbraw/zinc/79/09/28/405790928.db2.gz UGVFJDOSWNSQET-MJBXVCDLSA-N 1 3 305.422 2.272 20 0 DEADHO COc1ccc([C@H]2C[C@@H]2[C@@H](C)NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423496355 405826221 /nfs/dbraw/zinc/82/62/21/405826221.db2.gz WNUBRWZSDSOMGI-BVPBIZIASA-N 1 3 304.434 2.155 20 0 DEADHO CCN1CCC[C@@H](NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C1 ZINC000423353998 405772673 /nfs/dbraw/zinc/77/26/73/405772673.db2.gz MNJURLDNVFICKM-HZPDHXFCSA-N 1 3 303.450 2.313 20 0 DEADHO CN1CC=C(C[NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000495367338 405884344 /nfs/dbraw/zinc/88/43/44/405884344.db2.gz OWQKSQZCUOMFMJ-HUUCEWRRSA-N 1 3 309.454 2.284 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC000561155177 405897115 /nfs/dbraw/zinc/89/71/15/405897115.db2.gz ICLWTUCQKXVKGF-UHFFFAOYSA-N 1 3 309.498 2.347 20 0 DEADHO [NH3+][C@H]1CCCC[C@H]1CC(=O)N1CCN(C2CCCCC2)CC1 ZINC000423716905 405925737 /nfs/dbraw/zinc/92/57/37/405925737.db2.gz YOUBWNREKWTJSZ-RDJZCZTQSA-N 1 3 307.482 2.371 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000423718285 405926057 /nfs/dbraw/zinc/92/60/57/405926057.db2.gz LDCHQRYKEFUAPG-HOTGVXAUSA-N 1 3 315.461 2.210 20 0 DEADHO CN(C(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@H]1CCCN(C)C1 ZINC000433360661 405934989 /nfs/dbraw/zinc/93/49/89/405934989.db2.gz FHLXRTVAUHSVDI-DLBZAZTESA-N 1 3 303.450 2.232 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000423739351 405937782 /nfs/dbraw/zinc/93/77/82/405937782.db2.gz HIPPUNAJXMSTNB-HKUYNNGSSA-N 1 3 315.461 2.096 20 0 DEADHO CSC1(CNCc2cnc(C3CC3)nc2)CC[NH+](C)CC1 ZINC000459556042 405954107 /nfs/dbraw/zinc/95/41/07/405954107.db2.gz APYXKKODKZNYFC-UHFFFAOYSA-N 1 3 306.479 2.271 20 0 DEADHO C[C@@H]1C[C@H](NCc2ccncc2OCCC[NH+](C)C)CS1 ZINC000639185598 405955070 /nfs/dbraw/zinc/95/50/70/405955070.db2.gz PRIRMEJOXLMWLJ-HIFRSBDPSA-N 1 3 309.479 2.396 20 0 DEADHO N[C@H](CC(F)F)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423772447 405955350 /nfs/dbraw/zinc/95/53/50/405955350.db2.gz LACFWWMYGFXWPG-CQSZACIVSA-N 1 3 311.376 2.246 20 0 DEADHO C[C@@H](NC(=O)C1C[NH+](C2CCCCC2)C1)C1=CCN(C)CC1 ZINC000457708189 405961984 /nfs/dbraw/zinc/96/19/84/405961984.db2.gz YPRMOYZDWTUWGZ-CQSZACIVSA-N 1 3 305.466 2.018 20 0 DEADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]C1CC(C)(C)C1 ZINC000433222213 405902421 /nfs/dbraw/zinc/90/24/21/405902421.db2.gz XOSZWYOIYBJQEC-KRWDZBQOSA-N 1 3 317.477 2.054 20 0 DEADHO C[NH+](C)[C@@H](CC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000433298748 405914332 /nfs/dbraw/zinc/91/43/32/405914332.db2.gz ADLUJAGQAUWOLT-WBVHZDCISA-N 1 3 301.434 2.032 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)NCC[N@@H+]2CC[C@@H](C)C2)c1 ZINC000531984664 406030787 /nfs/dbraw/zinc/03/07/87/406030787.db2.gz NAYLFEQBNBGMLC-CABCVRRESA-N 1 3 319.449 2.344 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)NCC[N@H+]2CC[C@@H](C)C2)c1 ZINC000531984664 406030789 /nfs/dbraw/zinc/03/07/89/406030789.db2.gz NAYLFEQBNBGMLC-CABCVRRESA-N 1 3 319.449 2.344 20 0 DEADHO Cc1cc(CN(C)C)cc(NC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)c1 ZINC000423790721 405969245 /nfs/dbraw/zinc/96/92/45/405969245.db2.gz UKHBBGCLHAHETK-CRAIPNDOSA-N 1 3 301.434 2.385 20 0 DEADHO CCOC(=O)N1CCC[C@H]([C@H](C)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000497271305 406041969 /nfs/dbraw/zinc/04/19/69/406041969.db2.gz IZUPBXOADPROLY-WDFJATGCSA-N 1 3 309.454 2.116 20 0 DEADHO Cc1cccc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC000634276301 406077498 /nfs/dbraw/zinc/07/74/98/406077498.db2.gz TXSDSHHPHDOKAE-BPQIPLTHSA-N 1 3 315.461 2.026 20 0 DEADHO Cc1cccc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC000634276301 406077503 /nfs/dbraw/zinc/07/75/03/406077503.db2.gz TXSDSHHPHDOKAE-BPQIPLTHSA-N 1 3 315.461 2.026 20 0 DEADHO Cc1cnc(CCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000567646841 406112086 /nfs/dbraw/zinc/11/20/86/406112086.db2.gz DPLXOXJZEYNFOP-QFBILLFUSA-N 1 3 324.428 2.173 20 0 DEADHO CCc1cc(N2CCC[C@H]([NH2+][C@H](C)[C@@H]3CCCCN3)C2)ncn1 ZINC000567647061 406112900 /nfs/dbraw/zinc/11/29/00/406112900.db2.gz PQIKMOZDMFFKEC-PVAVHDDUSA-N 1 3 317.481 2.128 20 0 DEADHO CC[NH+]1CCC(CNC(=O)N2CCCN(C(C)(C)C)CC2)CC1 ZINC000516982563 406118174 /nfs/dbraw/zinc/11/81/74/406118174.db2.gz KAKAGBSETRTTIA-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]CCCc2cncn2C)[C@@H](C)C1 ZINC000518214149 406132194 /nfs/dbraw/zinc/13/21/94/406132194.db2.gz ZCQDMXCQMVAMEV-WMZOPIPTSA-N 1 3 322.497 2.079 20 0 DEADHO O[C@@H](Cc1ccccc1)C[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639683496 406204011 /nfs/dbraw/zinc/20/40/11/406204011.db2.gz IDNKVCLXINBKOI-IBGZPJMESA-N 1 3 311.429 2.197 20 0 DEADHO O[C@@H](Cc1ccccc1)C[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639683496 406204014 /nfs/dbraw/zinc/20/40/14/406204014.db2.gz IDNKVCLXINBKOI-IBGZPJMESA-N 1 3 311.429 2.197 20 0 DEADHO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639762429 406241070 /nfs/dbraw/zinc/24/10/70/406241070.db2.gz LEIGNQKEGZWJIX-ZACQAIPSSA-N 1 3 321.509 2.488 20 0 DEADHO COc1cccc(CCCN2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000639763371 406241653 /nfs/dbraw/zinc/24/16/53/406241653.db2.gz RBRVPNULAYJXKC-GOSISDBHSA-N 1 3 306.450 2.016 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCC1CCC1 ZINC000487757788 406261245 /nfs/dbraw/zinc/26/12/45/406261245.db2.gz ZQBCWVIEUROPDR-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCC1CCC1 ZINC000487757788 406261251 /nfs/dbraw/zinc/26/12/51/406261251.db2.gz ZQBCWVIEUROPDR-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@H](C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)[C@H](N)c1ccccc1 ZINC000634753665 406265742 /nfs/dbraw/zinc/26/57/42/406265742.db2.gz KZVKUNXPIGJNDF-BPUTZDHNSA-N 1 3 303.450 2.217 20 0 DEADHO CCN(C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)[C@@H]1CCN(C)C1 ZINC000637368595 406281382 /nfs/dbraw/zinc/28/13/82/406281382.db2.gz RHZWIUAQYFMUHW-IAGOWNOFSA-N 1 3 322.497 2.129 20 0 DEADHO CCN(C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)[C@@H]1CCN(C)C1 ZINC000637368595 406281385 /nfs/dbraw/zinc/28/13/85/406281385.db2.gz RHZWIUAQYFMUHW-IAGOWNOFSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)[C@@H]1C[C@H]([NH2+]CC2(O)CCN(C(C)C)CC2)CS1 ZINC000488427209 406319176 /nfs/dbraw/zinc/31/91/76/406319176.db2.gz FUZNNMYEDFWMFJ-GJZGRUSLSA-N 1 3 300.512 2.341 20 0 DEADHO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000488542617 406328667 /nfs/dbraw/zinc/32/86/67/406328667.db2.gz KKSAZZZJWNOKBB-CRAIPNDOSA-N 1 3 315.461 2.258 20 0 DEADHO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000488542619 406328908 /nfs/dbraw/zinc/32/89/08/406328908.db2.gz KKSAZZZJWNOKBB-QAPCUYQASA-N 1 3 315.461 2.258 20 0 DEADHO C[N@H+](C[C@H](O)CNCCc1cc2ccccc2s1)C1CC1 ZINC000570391288 406387235 /nfs/dbraw/zinc/38/72/35/406387235.db2.gz UWJYFVGTNBPDBG-OAHLLOKOSA-N 1 3 304.459 2.489 20 0 DEADHO C[N@@H+](C[C@H](O)CNCCc1cc2ccccc2s1)C1CC1 ZINC000570391288 406387241 /nfs/dbraw/zinc/38/72/41/406387241.db2.gz UWJYFVGTNBPDBG-OAHLLOKOSA-N 1 3 304.459 2.489 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CN1C1CC1 ZINC000546721822 406377388 /nfs/dbraw/zinc/37/73/88/406377388.db2.gz BIKVGCPUBNZHRL-HUUCEWRRSA-N 1 3 307.482 2.382 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CN1C1CC1 ZINC000546721822 406377393 /nfs/dbraw/zinc/37/73/93/406377393.db2.gz BIKVGCPUBNZHRL-HUUCEWRRSA-N 1 3 307.482 2.382 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCC2([NH3+])CCC2)C1 ZINC000571147963 406483148 /nfs/dbraw/zinc/48/31/48/406483148.db2.gz DXPGGGJUTBDVSQ-ZBFHGGJFSA-N 1 3 316.449 2.003 20 0 DEADHO CC[NH2+][C@@H](C)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000638070041 406554785 /nfs/dbraw/zinc/55/47/85/406554785.db2.gz OQWBOLMVZBRKID-RDJZCZTQSA-N 1 3 303.450 2.328 20 0 DEADHO CN(C(=O)CCC1C[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000638073772 406556169 /nfs/dbraw/zinc/55/61/69/406556169.db2.gz GIVIGCPOZRYBAI-SFHVURJKSA-N 1 3 315.461 2.109 20 0 DEADHO CC[C@@H](N)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000571759214 406561317 /nfs/dbraw/zinc/56/13/17/406561317.db2.gz FHSZKLNIJRQPIB-MJGOQNOKSA-N 1 3 315.461 2.238 20 0 DEADHO CC[C@@H](N)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000571759214 406561323 /nfs/dbraw/zinc/56/13/23/406561323.db2.gz FHSZKLNIJRQPIB-MJGOQNOKSA-N 1 3 315.461 2.238 20 0 DEADHO CN(CCNC(=O)C12CCC[NH+](CCC1)C2)Cc1ccccc1 ZINC000635410484 406523937 /nfs/dbraw/zinc/52/39/37/406523937.db2.gz IXGVGLXDIXSIRU-UHFFFAOYSA-N 1 3 315.461 2.111 20 0 DEADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000635568829 406595604 /nfs/dbraw/zinc/59/56/04/406595604.db2.gz NOROKOAUYZVUHI-QZTJIDSGSA-N 1 3 315.461 2.109 20 0 DEADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000635568829 406595609 /nfs/dbraw/zinc/59/56/09/406595609.db2.gz NOROKOAUYZVUHI-QZTJIDSGSA-N 1 3 315.461 2.109 20 0 DEADHO CN(C)[C@@H](CNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1 ZINC000635527484 406575857 /nfs/dbraw/zinc/57/58/57/406575857.db2.gz SNRLZJYJSLGCDT-XIRDDKMYSA-N 1 3 318.465 2.106 20 0 DEADHO CC[NH2+][C@H](C)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000638278127 406666025 /nfs/dbraw/zinc/66/60/25/406666025.db2.gz XMKSOUYLTXKJDU-CYBMUJFWSA-N 1 3 311.857 2.228 20 0 DEADHO CC[C@H](CNC(=O)/C=C\C[NH+](C)C)N1CCc2ccccc2C1 ZINC000491642054 406647100 /nfs/dbraw/zinc/64/71/00/406647100.db2.gz MBIOHDZQMGQUKS-IEODJVTJSA-N 1 3 315.461 2.057 20 0 DEADHO CCN1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000527801292 406757386 /nfs/dbraw/zinc/75/73/86/406757386.db2.gz SMRUYLMFUQTFPO-WBVHZDCISA-N 1 3 322.497 2.177 20 0 DEADHO CCN1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000527801292 406757394 /nfs/dbraw/zinc/75/73/94/406757394.db2.gz SMRUYLMFUQTFPO-WBVHZDCISA-N 1 3 322.497 2.177 20 0 DEADHO CN(C)CCN(CCCc1ccccc1)C(=O)/C=C\C[NH+](C)C ZINC000491874758 406758909 /nfs/dbraw/zinc/75/89/09/406758909.db2.gz XARWPOXKRCNTKE-LCYFTJDESA-N 1 3 317.477 2.127 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCN2C2CCCCC2)CC[N@@H+]1C ZINC000527813456 406760655 /nfs/dbraw/zinc/76/06/55/406760655.db2.gz ZSJLCYYONVPXNN-HLLBOEOZSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCN2C2CCCCC2)CC[N@H+]1C ZINC000527813456 406760660 /nfs/dbraw/zinc/76/06/60/406760660.db2.gz ZSJLCYYONVPXNN-HLLBOEOZSA-N 1 3 322.497 2.175 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000646105896 406783073 /nfs/dbraw/zinc/78/30/73/406783073.db2.gz KSNKLNBISWOTEL-KSZLIROESA-N 1 3 315.461 2.107 20 0 DEADHO CN(C)C/C=C\C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000491910934 406775274 /nfs/dbraw/zinc/77/52/74/406775274.db2.gz QROOMPJPRVWIDK-VOCYLRNQSA-N 1 3 315.461 2.085 20 0 DEADHO CN(C)C/C=C\C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000491910934 406775276 /nfs/dbraw/zinc/77/52/76/406775276.db2.gz QROOMPJPRVWIDK-VOCYLRNQSA-N 1 3 315.461 2.085 20 0 DEADHO CC(C)[C@@H]1CCC[C@H]1[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000646215676 406818192 /nfs/dbraw/zinc/81/81/92/406818192.db2.gz MQMOGEDWUGHEIM-DLBZAZTESA-N 1 3 309.498 2.393 20 0 DEADHO C[C@H](C(=O)N1CCC2(C1)CC[NH+](C)CC2)N1[C@H](C)CC[C@H]1C ZINC000646250217 406825983 /nfs/dbraw/zinc/82/59/83/406825983.db2.gz JEAZIFZDXZVGKU-BZUAXINKSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(C(=O)C2CCN(C3CC3)CC2)CC1 ZINC000555234915 406837636 /nfs/dbraw/zinc/83/76/36/406837636.db2.gz STLNJEWALMFPRL-UHFFFAOYSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(C(=O)C2CCN(C3CC3)CC2)CC1 ZINC000555234915 406837638 /nfs/dbraw/zinc/83/76/38/406837638.db2.gz STLNJEWALMFPRL-UHFFFAOYSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@H](C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)N1CCCCCC1 ZINC000646381281 406854110 /nfs/dbraw/zinc/85/41/10/406854110.db2.gz KPPVEHQIAADXOC-KZNAEPCWSA-N 1 3 321.509 2.489 20 0 DEADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)C1CC[NH2+]CC1 ZINC000646408967 406859128 /nfs/dbraw/zinc/85/91/28/406859128.db2.gz VMMRSICJBNAXRJ-GOSISDBHSA-N 1 3 315.461 2.329 20 0 DEADHO C[C@@H](CCC[NH3+])NC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000641927423 406907361 /nfs/dbraw/zinc/90/73/61/406907361.db2.gz XISGHLLRWWWNQH-RDJZCZTQSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000643294729 406976273 /nfs/dbraw/zinc/97/62/73/406976273.db2.gz MVGJKSQABBRSOX-WBVHZDCISA-N 1 3 306.450 2.077 20 0 DEADHO C[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000643294729 406976275 /nfs/dbraw/zinc/97/62/75/406976275.db2.gz MVGJKSQABBRSOX-WBVHZDCISA-N 1 3 306.450 2.077 20 0 DEADHO CC1([NH3+])CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000646992792 406936839 /nfs/dbraw/zinc/93/68/39/406936839.db2.gz YUHLBWAPRIJZEF-UHFFFAOYSA-N 1 3 301.434 2.236 20 0 DEADHO CC[C@@H]1CN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC[C@H]1[NH3+] ZINC000647010019 406940094 /nfs/dbraw/zinc/94/00/94/406940094.db2.gz MWESOOUTXFINLD-KURKYZTESA-N 1 3 315.461 2.237 20 0 DEADHO COc1cccc(-c2n[nH]cc2CN2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000647509011 407009612 /nfs/dbraw/zinc/00/96/12/407009612.db2.gz FNONOBHFCMBFJM-STQMWFEESA-N 1 3 300.406 2.254 20 0 DEADHO CC(=O)N1CC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)c2ccccc2C1 ZINC000643524042 407010963 /nfs/dbraw/zinc/01/09/63/407010963.db2.gz BQSKGRLNGSMYQP-JZXOWHBKSA-N 1 3 301.434 2.339 20 0 DEADHO COCCCn1nccc1CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543795 407017906 /nfs/dbraw/zinc/01/79/06/407017906.db2.gz SAYREQBPNCJKDY-IRXDYDNUSA-N 1 3 320.481 2.131 20 0 DEADHO Cc1cc(F)c(CNCCCN2CCC[N@@H+](C)CC2)c(F)c1 ZINC000643759585 407041032 /nfs/dbraw/zinc/04/10/32/407041032.db2.gz KOVJDTLRGBTTEO-UHFFFAOYSA-N 1 3 311.420 2.390 20 0 DEADHO Cc1cc(F)c(CNCCCN2CCC[N@H+](C)CC2)c(F)c1 ZINC000643759585 407041034 /nfs/dbraw/zinc/04/10/34/407041034.db2.gz KOVJDTLRGBTTEO-UHFFFAOYSA-N 1 3 311.420 2.390 20 0 DEADHO Cc1nc(CN2CCC(C[NH2+][C@@H]3CCC[C@@H]3CN)CC2)oc1C ZINC000643452131 407001511 /nfs/dbraw/zinc/00/15/11/407001511.db2.gz GPFWJELXCZQSHQ-IAGOWNOFSA-N 1 3 320.481 2.220 20 0 DEADHO CC1CCC(NC(=O)CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000647975658 407091691 /nfs/dbraw/zinc/09/16/91/407091691.db2.gz DGQDJAPRVXSYQQ-QLOLRVAOSA-N 1 3 321.509 2.393 20 0 DEADHO O=C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)N1CCCCCC1 ZINC000647975112 407092008 /nfs/dbraw/zinc/09/20/08/407092008.db2.gz LPPBXSAELCRRFG-IAGOWNOFSA-N 1 3 307.482 2.101 20 0 DEADHO CC(C)N(C(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)C(C)C ZINC000647976755 407092045 /nfs/dbraw/zinc/09/20/45/407092045.db2.gz TUISLCWQANAYDH-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO c1cc2n(n1)C[C@H](CNC[C@@H]1CCC[N@@H+]1C1CCCCC1)CN2 ZINC000648030721 407104837 /nfs/dbraw/zinc/10/48/37/407104837.db2.gz OESQJVFYJVHBTK-WBVHZDCISA-N 1 3 317.481 2.312 20 0 DEADHO c1cc2n(n1)C[C@H](CNC[C@@H]1CCC[N@H+]1C1CCCCC1)CN2 ZINC000648030721 407104841 /nfs/dbraw/zinc/10/48/41/407104841.db2.gz OESQJVFYJVHBTK-WBVHZDCISA-N 1 3 317.481 2.312 20 0 DEADHO CC[C@@H]1CN(CCC(=O)N2CCc3ccccc32)CC[C@H]1[NH3+] ZINC000647938448 407080009 /nfs/dbraw/zinc/08/00/09/407080009.db2.gz NKBJQDOLDIJADR-GDBMZVCRSA-N 1 3 301.434 2.025 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNCCC(=O)Nc2cccnc2)C1 ZINC000644531451 407137162 /nfs/dbraw/zinc/13/71/62/407137162.db2.gz WGNHQBKFIRATSV-OAHLLOKOSA-N 1 3 304.438 2.120 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNCCC(=O)Nc2cccnc2)C1 ZINC000644531451 407137163 /nfs/dbraw/zinc/13/71/63/407137163.db2.gz WGNHQBKFIRATSV-OAHLLOKOSA-N 1 3 304.438 2.120 20 0 DEADHO CC(C)N1CCC[C@H](C[NH2+]CCC(=O)Nc2cccnc2)C1 ZINC000644531451 407137166 /nfs/dbraw/zinc/13/71/66/407137166.db2.gz WGNHQBKFIRATSV-OAHLLOKOSA-N 1 3 304.438 2.120 20 0 DEADHO C[C@@H]([NH2+]C[C@H](O)CN(C)Cc1ccccc1)C(C)(C)CN(C)C ZINC000644574197 407144759 /nfs/dbraw/zinc/14/47/59/407144759.db2.gz SHSXIXRWWNLBIU-AEFFLSMTSA-N 1 3 321.509 2.045 20 0 DEADHO C[NH+](C)CCc1ccc(CNC[C@](C)(O)C(F)(F)F)cc1 ZINC000644629821 407156470 /nfs/dbraw/zinc/15/64/70/407156470.db2.gz JRZPKRAWBFUEAS-AWEZNQCLSA-N 1 3 304.356 2.194 20 0 DEADHO Cc1ccccc1CN1CCC(NC(=O)[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000645564933 407294446 /nfs/dbraw/zinc/29/44/46/407294446.db2.gz KICQHJINPJAMCI-MAUKXSAKSA-N 1 3 315.461 2.074 20 0 DEADHO C[C@H](CCCC[NH3+])NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000417575904 298388448 /nfs/dbraw/zinc/38/84/48/298388448.db2.gz GOKRHMZLECDWBU-HZPDHXFCSA-N 1 3 320.481 2.324 20 0 DEADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000570573715 292491520 /nfs/dbraw/zinc/49/15/20/292491520.db2.gz YZMBWHYVIIYGCT-HIFRSBDPSA-N 1 3 316.449 2.129 20 0 DEADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000571203641 292533613 /nfs/dbraw/zinc/53/36/13/292533613.db2.gz DPDFHVNMJAHTKY-CQDKDKBSSA-N 1 3 309.841 2.057 20 0 DEADHO CN(C)C[C@@](C)(O)C[NH2+]CC(C)(C)CN(C)Cc1ccccc1 ZINC000131370159 196162877 /nfs/dbraw/zinc/16/28/77/196162877.db2.gz RCLZOXZDEBOQLK-IBGZPJMESA-N 1 3 321.509 2.047 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCCN(C)C1CC1 ZINC000352662647 287265706 /nfs/dbraw/zinc/26/57/06/287265706.db2.gz BBUOLJZTYYSHIY-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCCN(C)C1CC1 ZINC000352662647 287265712 /nfs/dbraw/zinc/26/57/12/287265712.db2.gz BBUOLJZTYYSHIY-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO CCN1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)CC)cc2)[C@H](C)C1 ZINC000133161780 196317017 /nfs/dbraw/zinc/31/70/17/196317017.db2.gz ZBHUYKHJUQSBSW-RHSMWYFYSA-N 1 3 324.490 2.300 20 0 DEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN(C)CC[C@H]2C)C1 ZINC000355504777 287343864 /nfs/dbraw/zinc/34/38/64/287343864.db2.gz IRIRSGYMFATACQ-HZPDHXFCSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN(C)CC[C@H]2C)C1 ZINC000355504777 287343865 /nfs/dbraw/zinc/34/38/65/287343865.db2.gz IRIRSGYMFATACQ-HZPDHXFCSA-N 1 3 324.513 2.233 20 0 DEADHO C[NH+](C)CCn1ccc2ccc(NC(=O)C3(N)CCC3)cc21 ZINC000295612331 225046065 /nfs/dbraw/zinc/04/60/65/225046065.db2.gz DVVLKKOOQIIMON-UHFFFAOYSA-N 1 3 300.406 2.023 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000337369886 287351044 /nfs/dbraw/zinc/35/10/44/287351044.db2.gz OQHVMEQUOQZVQQ-MRXNPFEDSA-N 1 3 324.513 2.282 20 0 DEADHO Cc1cccc2c(CC[NH2+][C@@H]3CCOC[C@H]3[C@H](C)N)c[nH]c21 ZINC000422777450 292591983 /nfs/dbraw/zinc/59/19/83/292591983.db2.gz FZVUPLRPDUZHEO-RRQGHBQHSA-N 1 3 301.434 2.361 20 0 DEADHO CC[C@H](C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)N(CC)CC ZINC000424046798 287456179 /nfs/dbraw/zinc/45/61/79/287456179.db2.gz WGVVDXANNBZLNS-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCCN(C)Cc1ccccc1 ZINC000290911153 222015544 /nfs/dbraw/zinc/01/55/44/222015544.db2.gz WIUDEXRCEMMSHR-MRXNPFEDSA-N 1 3 320.481 2.146 20 0 DEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCCN(C)Cc1ccccc1 ZINC000290911153 222015546 /nfs/dbraw/zinc/01/55/46/222015546.db2.gz WIUDEXRCEMMSHR-MRXNPFEDSA-N 1 3 320.481 2.146 20 0 DEADHO Cc1ccccc1C[C@H](CO)N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423055564 292630437 /nfs/dbraw/zinc/63/04/37/292630437.db2.gz DGVNMVKDBICROK-YDZRNGNQSA-N 1 3 302.462 2.409 20 0 DEADHO CN(C)Cc1cccc(CNC(=O)N2CCC[C@@H](CC[NH3+])C2)c1 ZINC000417072771 228962865 /nfs/dbraw/zinc/96/28/65/228962865.db2.gz RYTCVYAPIULZJM-HNNXBMFYSA-N 1 3 318.465 2.019 20 0 DEADHO C[C@H]1CN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@@H](C)CN1 ZINC000417813477 229111658 /nfs/dbraw/zinc/11/16/58/229111658.db2.gz RGZPRNSEMJMPNL-GJZGRUSLSA-N 1 3 322.497 2.175 20 0 DEADHO C[NH+](C)CC[C@@H](NC(=O)NC[C@H](N)c1ccccc1)C(C)(C)C ZINC000417678095 229067257 /nfs/dbraw/zinc/06/72/57/229067257.db2.gz IYGUPGZFWVUZNJ-JKSUJKDBSA-N 1 3 320.481 2.352 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418501564 229368502 /nfs/dbraw/zinc/36/85/02/229368502.db2.gz RGURGQNWLAYLQN-DYVFJYSZSA-N 1 3 314.433 2.266 20 0 DEADHO C[C@H](CC[NH3+])NC(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000418514564 229373965 /nfs/dbraw/zinc/37/39/65/229373965.db2.gz ASYPLTNVVCWSGM-CQSZACIVSA-N 1 3 312.502 2.266 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418563729 229389319 /nfs/dbraw/zinc/38/93/19/229389319.db2.gz IMDVBVQHEZTUBE-KGLIPLIRSA-N 1 3 324.494 2.091 20 0 DEADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1cccc(C2CC2)c1 ZINC000422553096 230140413 /nfs/dbraw/zinc/14/04/13/230140413.db2.gz JDFVJCMLWVSGEA-GOSISDBHSA-N 1 3 315.461 2.384 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NC(C)(C)CC[NH3+])CCN1Cc1ccccc1 ZINC000422623547 230157268 /nfs/dbraw/zinc/15/72/68/230157268.db2.gz WMSGVBKFUUZRMD-GDBMZVCRSA-N 1 3 318.465 2.076 20 0 DEADHO Cc1ccc([C@H](CN[C@@H](C)C[C@@H](C)[NH3+])N2CCOCC2)cc1 ZINC000422709583 230171340 /nfs/dbraw/zinc/17/13/40/230171340.db2.gz KSVYIYWMZRYLAN-RYRKJORJSA-N 1 3 305.466 2.084 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCSCc1ccccc1F ZINC000422763569 230195116 /nfs/dbraw/zinc/19/51/16/230195116.db2.gz JGWVVGLLYIOHFF-JGGQBBKZSA-N 1 3 312.454 2.401 20 0 DEADHO Cc1cccc(N2CCC([NH2+][C@@H](C)[C@@H]3CCCCN3)CC2)n1 ZINC000422769241 230199665 /nfs/dbraw/zinc/19/96/65/230199665.db2.gz VJYKHGBBDZCTCD-RDJZCZTQSA-N 1 3 302.466 2.479 20 0 DEADHO Cc1cccc(N2CCC(N[C@@H](C)[C@@H]3CCCC[NH2+]3)CC2)n1 ZINC000422769241 230199670 /nfs/dbraw/zinc/19/96/70/230199670.db2.gz VJYKHGBBDZCTCD-RDJZCZTQSA-N 1 3 302.466 2.479 20 0 DEADHO C[C@@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H](C)Oc1ccc(Cl)cc1 ZINC000422795640 230214396 /nfs/dbraw/zinc/21/43/96/230214396.db2.gz IAPHPGUKNMDAAK-AVRGHOLYSA-N 1 3 312.841 2.449 20 0 DEADHO Cc1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])c(N2CCOCC2)c1 ZINC000422870300 230251935 /nfs/dbraw/zinc/25/19/35/230251935.db2.gz XOZNAXGMSLXCKP-DOTOQJQBSA-N 1 3 303.450 2.049 20 0 DEADHO COc1cc(OC)c(CCN[C@H]2CC[NH2+]CC[C@@H]2C)c(OC)c1 ZINC000422885497 230259071 /nfs/dbraw/zinc/25/90/71/230259071.db2.gz GUYCQJGHJCJPKY-BBRMVZONSA-N 1 3 322.449 2.233 20 0 DEADHO COc1cc(OC)c(CC[NH2+][C@H]2CCNCC[C@@H]2C)c(OC)c1 ZINC000422885497 230259075 /nfs/dbraw/zinc/25/90/75/230259075.db2.gz GUYCQJGHJCJPKY-BBRMVZONSA-N 1 3 322.449 2.233 20 0 DEADHO NC[C@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000422902964 230268735 /nfs/dbraw/zinc/26/87/35/230268735.db2.gz VJUIPNNCCQECRO-CRAIPNDOSA-N 1 3 302.466 2.153 20 0 DEADHO C[C@H]1CN(Cc2ccccc2CNC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000422936188 230285973 /nfs/dbraw/zinc/28/59/73/230285973.db2.gz FCZQPVQSMOIWBD-HOTGVXAUSA-N 1 3 317.477 2.137 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCc1ccc(F)cc1Cl ZINC000422957938 230293686 /nfs/dbraw/zinc/29/36/86/230293686.db2.gz WEPPNJOBVSZCDI-VZJVUDMVSA-N 1 3 300.805 2.364 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC000422957938 230293689 /nfs/dbraw/zinc/29/36/89/230293689.db2.gz WEPPNJOBVSZCDI-VZJVUDMVSA-N 1 3 300.805 2.364 20 0 DEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCNC(=O)c1ccc(F)cc1 ZINC000422959243 230296962 /nfs/dbraw/zinc/29/69/62/230296962.db2.gz REIGAWDNUADIKR-GOEBONIOSA-N 1 3 307.413 2.053 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000422982521 230305291 /nfs/dbraw/zinc/30/52/91/230305291.db2.gz QZEDAFWZRHLZAM-LSDHHAIUSA-N 1 3 305.466 2.429 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)[C@H](O)Cc1ccccc1 ZINC000422992506 230308101 /nfs/dbraw/zinc/30/81/01/230308101.db2.gz CSRWVFMAPFZAPU-ZUEVXXBESA-N 1 3 313.445 2.491 20 0 DEADHO Cc1cccc(C[C@H](CO)N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423058335 230332145 /nfs/dbraw/zinc/33/21/45/230332145.db2.gz JKICTSPWDFUWTM-NCXUSEDFSA-N 1 3 302.462 2.409 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC2(N3CCSCC3)CCCC2)CCN1C ZINC000153806612 424860450 /nfs/dbraw/zinc/86/04/50/424860450.db2.gz ABRCFZGXRBRJGH-CVEARBPZSA-N 1 3 311.539 2.420 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000648785396 424906995 /nfs/dbraw/zinc/90/69/95/424906995.db2.gz IWEXTJZFCZYWHB-BPQIPLTHSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC[N@H+]1C ZINC000648785396 424906996 /nfs/dbraw/zinc/90/69/96/424906996.db2.gz IWEXTJZFCZYWHB-BPQIPLTHSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000648821446 424911822 /nfs/dbraw/zinc/91/18/22/424911822.db2.gz OOUZYYSVTZUKIH-CIRFHOKZSA-N 1 3 315.461 2.106 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC[N@H+]1C ZINC000648821446 424911824 /nfs/dbraw/zinc/91/18/24/424911824.db2.gz OOUZYYSVTZUKIH-CIRFHOKZSA-N 1 3 315.461 2.106 20 0 DEADHO Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@H](C)CN1CCCC1 ZINC000390003879 424917055 /nfs/dbraw/zinc/91/70/55/424917055.db2.gz KXMKEEOJLJCYBU-MAUKXSAKSA-N 1 3 320.477 2.365 20 0 DEADHO C[C@@]1(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]C1 ZINC000390759133 424917468 /nfs/dbraw/zinc/91/74/68/424917468.db2.gz YJWIMILPOVNXQH-IEBWSBKVSA-N 1 3 315.461 2.014 20 0 DEADHO CC(C)([NH3+])CCC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000390704099 424917861 /nfs/dbraw/zinc/91/78/61/424917861.db2.gz FKHNDRKAWJDYTN-MRXNPFEDSA-N 1 3 303.450 2.285 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648765237 424903923 /nfs/dbraw/zinc/90/39/23/424903923.db2.gz ZKRIZHSQKOIFDI-CRAIPNDOSA-N 1 3 317.477 2.437 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648765237 424903925 /nfs/dbraw/zinc/90/39/25/424903925.db2.gz ZKRIZHSQKOIFDI-CRAIPNDOSA-N 1 3 317.477 2.437 20 0 DEADHO Cc1cccc(N2CCC(N[C@@H](C)C[C@H]3CCC[NH2+]3)CC2)n1 ZINC000415086656 424948972 /nfs/dbraw/zinc/94/89/72/424948972.db2.gz JYEKEGCCICESQZ-DOTOQJQBSA-N 1 3 302.466 2.479 20 0 DEADHO O=C(NCc1ccccc1CN1CCCCC1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649282163 424983204 /nfs/dbraw/zinc/98/32/04/424983204.db2.gz KTAJEPQSCVOZOY-KURKYZTESA-N 1 3 313.445 2.039 20 0 DEADHO CCc1ccc([C@H](CNC(=O)CCC(C)(C)[NH3+])N(C)C)cc1 ZINC000649278600 424983506 /nfs/dbraw/zinc/98/35/06/424983506.db2.gz PKFNYVCVURYHCS-INIZCTEOSA-N 1 3 305.466 2.485 20 0 DEADHO CC(C)([NH3+])CCC(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000649295880 424985518 /nfs/dbraw/zinc/98/55/18/424985518.db2.gz BYPJENNRAUOIJR-UHFFFAOYSA-N 1 3 319.449 2.099 20 0 DEADHO COc1ccccc1CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650705297 425038084 /nfs/dbraw/zinc/03/80/84/425038084.db2.gz BTGPWOWOLXJHCR-BQFCYCMXSA-N 1 3 304.434 2.414 20 0 DEADHO CC(C)n1cc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cn1 ZINC000650706939 425039059 /nfs/dbraw/zinc/03/90/59/425039059.db2.gz VTQMXMMIAKRCRI-ULQDDVLXSA-N 1 3 306.454 2.182 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@@H]2CCC(=O)N2)CC1 ZINC000649552174 425040752 /nfs/dbraw/zinc/04/07/52/425040752.db2.gz ZJVRYUCNKGYIPX-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@@H]2CCC(=O)N2)CC1 ZINC000649552174 425040754 /nfs/dbraw/zinc/04/07/54/425040754.db2.gz ZJVRYUCNKGYIPX-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO COc1cc(C)nc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650723735 425042463 /nfs/dbraw/zinc/04/24/63/425042463.db2.gz SNLPHHFPNAVUDV-QGTPRVQTSA-N 1 3 319.449 2.259 20 0 DEADHO CCOc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)nc1 ZINC000650724053 425042732 /nfs/dbraw/zinc/04/27/32/425042732.db2.gz XPTVUZWFGCLYAL-OLMNPRSZSA-N 1 3 319.449 2.341 20 0 DEADHO Cc1ccc(S(=O)(=O)C[C@H](C)NCCC2CC[NH2+]CC2)cc1 ZINC000650763283 425049484 /nfs/dbraw/zinc/04/94/84/425049484.db2.gz WUAISTPLZDTQDW-HNNXBMFYSA-N 1 3 324.490 2.137 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000651192819 425113200 /nfs/dbraw/zinc/11/32/00/425113200.db2.gz CAXNGJMHNAWIOT-CVEARBPZSA-N 1 3 312.502 2.088 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000651192819 425113202 /nfs/dbraw/zinc/11/32/02/425113202.db2.gz CAXNGJMHNAWIOT-CVEARBPZSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)C(C)(C)n1cncn1 ZINC000663466623 425165447 /nfs/dbraw/zinc/16/54/47/425165447.db2.gz WCAVXYZOWMDPAF-ZBFHGGJFSA-N 1 3 305.470 2.113 20 0 DEADHO C(C[NH2+]C1CCCCCC1)NCc1nc2c(s1)CNCC2 ZINC000663493365 425170685 /nfs/dbraw/zinc/17/06/85/425170685.db2.gz HKFADYTYPZYUCI-UHFFFAOYSA-N 1 3 308.495 2.191 20 0 DEADHO [NH3+]CCC[C@@H](NCc1nc2c(s1)CNCC2)c1ccccc1 ZINC000663497014 425172658 /nfs/dbraw/zinc/17/26/58/425172658.db2.gz KSNDODAXCPONLX-CQSZACIVSA-N 1 3 316.474 2.359 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NCCC[NH+]1CCCCC1 ZINC000663502355 425172679 /nfs/dbraw/zinc/17/26/79/425172679.db2.gz HDQNLNWVWMQBDB-KRWDZBQOSA-N 1 3 324.513 2.282 20 0 DEADHO Cc1cccc2c1CCC[C@H]2[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000663502497 425175242 /nfs/dbraw/zinc/17/52/42/425175242.db2.gz HZFLARWBLJMUMD-CRAIPNDOSA-N 1 3 315.461 2.159 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000666758217 425176544 /nfs/dbraw/zinc/17/65/44/425176544.db2.gz LSXLENGWFPEYRL-IRXDYDNUSA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000666758217 425176549 /nfs/dbraw/zinc/17/65/49/425176549.db2.gz LSXLENGWFPEYRL-IRXDYDNUSA-N 1 3 324.513 2.090 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H](C3CCCCC3)C2)C1 ZINC000656791318 425191461 /nfs/dbraw/zinc/19/14/61/425191461.db2.gz XEZCZWSGKUPUMZ-RDJZCZTQSA-N 1 3 307.482 2.086 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CC[C@H](C3CCCCC3)C2)C1 ZINC000656791318 425191464 /nfs/dbraw/zinc/19/14/64/425191464.db2.gz XEZCZWSGKUPUMZ-RDJZCZTQSA-N 1 3 307.482 2.086 20 0 DEADHO CN1CC[C@]2(C1)CCC[N@H+](CCOCCOc1ccccc1)C2 ZINC000660654128 425192890 /nfs/dbraw/zinc/19/28/90/425192890.db2.gz DGYNNIUMGFBOHY-IBGZPJMESA-N 1 3 318.461 2.500 20 0 DEADHO CN1CC[C@]2(C1)CCC[N@@H+](CCOCCOc1ccccc1)C2 ZINC000660654128 425192895 /nfs/dbraw/zinc/19/28/95/425192895.db2.gz DGYNNIUMGFBOHY-IBGZPJMESA-N 1 3 318.461 2.500 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652155103 425198965 /nfs/dbraw/zinc/19/89/65/425198965.db2.gz WORUDDZDNFCRCY-BQFCYCMXSA-N 1 3 322.497 2.021 20 0 DEADHO CCN(C(=O)NCCCC[NH+]1CCC(C)CC1)[C@@H]1CCN(C)C1 ZINC000663654476 425205789 /nfs/dbraw/zinc/20/57/89/425205789.db2.gz LUXWKKJGXODQKL-QGZVFWFLSA-N 1 3 324.513 2.234 20 0 DEADHO CCC[NH+]1CCC(NC[C@]2(CO)CCc3ccccc32)CC1 ZINC000651884907 425150862 /nfs/dbraw/zinc/15/08/62/425150862.db2.gz SESAURBATRNKDZ-IBGZPJMESA-N 1 3 302.462 2.327 20 0 DEADHO C[C@H](CO)C1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000651956185 425153643 /nfs/dbraw/zinc/15/36/43/425153643.db2.gz OVBYZDYEEOLAKV-MRXNPFEDSA-N 1 3 320.477 2.467 20 0 DEADHO C[C@H](CO)C1CC[NH+](Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000651956185 425153644 /nfs/dbraw/zinc/15/36/44/425153644.db2.gz OVBYZDYEEOLAKV-MRXNPFEDSA-N 1 3 320.477 2.467 20 0 DEADHO COc1ccc([C@H]([NH2+]C[C@H](O)CN(C)C(C)C)C2CC2)cc1 ZINC000656694513 425161594 /nfs/dbraw/zinc/16/15/94/425161594.db2.gz QRXGPPNDQYHHLM-FUHWJXTLSA-N 1 3 306.450 2.437 20 0 DEADHO CC[N@H+](C)C[C@H](O)CN1CCCC[C@@H]1Cc1ccc(OC)cc1 ZINC000653779293 425226353 /nfs/dbraw/zinc/22/63/53/425226353.db2.gz SXADNTGFCPAAIR-MSOLQXFVSA-N 1 3 320.477 2.405 20 0 DEADHO CC[N@@H+](C)C[C@H](O)CN1CCCC[C@@H]1Cc1ccc(OC)cc1 ZINC000653779293 425226357 /nfs/dbraw/zinc/22/63/57/425226357.db2.gz SXADNTGFCPAAIR-MSOLQXFVSA-N 1 3 320.477 2.405 20 0 DEADHO CN1CCC[C@@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000663956333 425275097 /nfs/dbraw/zinc/27/50/97/425275097.db2.gz ZSURGMOAWCOTDO-GOSISDBHSA-N 1 3 315.461 2.497 20 0 DEADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2CCOc2ccccc2)C1 ZINC000652361030 425249141 /nfs/dbraw/zinc/24/91/41/425249141.db2.gz WSYIVYMUVAWTGL-KBAYOESNSA-N 1 3 304.434 2.426 20 0 DEADHO C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)N1CCC(C)CC1 ZINC000660846861 425255370 /nfs/dbraw/zinc/25/53/70/425255370.db2.gz KDMVDWADSLOJDM-HOTGVXAUSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H](CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)N1CCC(C)CC1 ZINC000660846861 425255372 /nfs/dbraw/zinc/25/53/72/425255372.db2.gz KDMVDWADSLOJDM-HOTGVXAUSA-N 1 3 324.513 2.279 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]Cc2cnn3c2CCC3)[C@H](C)C1 ZINC000657364097 425317437 /nfs/dbraw/zinc/31/74/37/425317437.db2.gz SLMYJULLADXCRC-WBVHZDCISA-N 1 3 320.481 2.056 20 0 DEADHO CCCn1nccc1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000657366868 425318784 /nfs/dbraw/zinc/31/87/84/425318784.db2.gz LHEOQQGRHIKJMC-HZPDHXFCSA-N 1 3 308.470 2.272 20 0 DEADHO C[C@H](C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCCCCC1 ZINC000654311042 425322375 /nfs/dbraw/zinc/32/23/75/425322375.db2.gz MUAQOGMNVYZVHM-IXDOHACOSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@H](C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)N1CCCCCC1 ZINC000654311042 425322379 /nfs/dbraw/zinc/32/23/79/425322379.db2.gz MUAQOGMNVYZVHM-IXDOHACOSA-N 1 3 307.482 2.384 20 0 DEADHO CC[C@@H]1C[C@H](NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)CO1 ZINC000657430663 425330731 /nfs/dbraw/zinc/33/07/31/425330731.db2.gz USCRRRZGKQHYJC-GBESFXJTSA-N 1 3 318.461 2.300 20 0 DEADHO CC[C@@H]1C[C@H](NCc2ccccc2C[N@H+]2CCC[C@H]2CO)CO1 ZINC000657430663 425330735 /nfs/dbraw/zinc/33/07/35/425330735.db2.gz USCRRRZGKQHYJC-GBESFXJTSA-N 1 3 318.461 2.300 20 0 DEADHO CC1CCN(CCNC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000654374482 425335865 /nfs/dbraw/zinc/33/58/65/425335865.db2.gz OQHBJNQCGOKOAM-SJORKVTESA-N 1 3 322.497 2.034 20 0 DEADHO CC1CCN(CCNC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000654374482 425335868 /nfs/dbraw/zinc/33/58/68/425335868.db2.gz OQHBJNQCGOKOAM-SJORKVTESA-N 1 3 322.497 2.034 20 0 DEADHO CCN(C(=O)NCCC1CC[NH+](CC)CC1)[C@H]1CCN(CC)C1 ZINC000664225089 425335951 /nfs/dbraw/zinc/33/59/51/425335951.db2.gz XDFGLVYHJBHFSL-KRWDZBQOSA-N 1 3 324.513 2.234 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000654427614 425351391 /nfs/dbraw/zinc/35/13/91/425351391.db2.gz WULBPIVIBBRIQH-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000654590567 425391018 /nfs/dbraw/zinc/39/10/18/425391018.db2.gz DIXSSIOTCIPVAY-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000654590567 425391021 /nfs/dbraw/zinc/39/10/21/425391021.db2.gz DIXSSIOTCIPVAY-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654603649 425395671 /nfs/dbraw/zinc/39/56/71/425395671.db2.gz LPULHMMDDYGEBZ-IAGOWNOFSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654603649 425395675 /nfs/dbraw/zinc/39/56/75/425395675.db2.gz LPULHMMDDYGEBZ-IAGOWNOFSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)(C)N1CC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000661406164 425399519 /nfs/dbraw/zinc/39/95/19/425399519.db2.gz IPIMXBSOSJZEQB-KBPBESRZSA-N 1 3 310.486 2.031 20 0 DEADHO CC(C)(C)N1CC[C@H]1CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661406164 425399522 /nfs/dbraw/zinc/39/95/22/425399522.db2.gz IPIMXBSOSJZEQB-KBPBESRZSA-N 1 3 310.486 2.031 20 0 DEADHO CCCCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653113996 425409565 /nfs/dbraw/zinc/40/95/65/425409565.db2.gz VHTWDFRVWZFLQU-ZACQAIPSSA-N 1 3 307.482 2.288 20 0 DEADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000653121879 425409960 /nfs/dbraw/zinc/40/99/60/425409960.db2.gz FFBVMKUNFBWLFZ-OKZBNKHCSA-N 1 3 315.461 2.237 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2COC3(CCC3)C2)[C@H](C)C1 ZINC000657883943 425412626 /nfs/dbraw/zinc/41/26/26/425412626.db2.gz HMXKJPLJWAEQRB-ZACQAIPSSA-N 1 3 310.482 2.425 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2COC3(CCC3)C2)[C@H](C)C1 ZINC000657883943 425412627 /nfs/dbraw/zinc/41/26/27/425412627.db2.gz HMXKJPLJWAEQRB-ZACQAIPSSA-N 1 3 310.482 2.425 20 0 DEADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1c(C2CCC2)cnn1C ZINC000657572772 425368063 /nfs/dbraw/zinc/36/80/63/425368063.db2.gz FVQRCYNEOHYYBZ-HNNXBMFYSA-N 1 3 321.513 2.049 20 0 DEADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cnc(C2CC2)s1 ZINC000657572920 425368217 /nfs/dbraw/zinc/36/82/17/425368217.db2.gz GARRWDLNUMIBRJ-ZDUSSCGKSA-N 1 3 310.511 2.382 20 0 DEADHO O[C@@H]1CCN(Cc2ccc(C[NH2+]C3CCSCC3)cc2)C1 ZINC000657595685 425372299 /nfs/dbraw/zinc/37/22/99/425372299.db2.gz RPROUWIERXRMDC-QGZVFWFLSA-N 1 3 306.475 2.238 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654567468 425383541 /nfs/dbraw/zinc/38/35/41/425383541.db2.gz LPZOQPIUAAGRHZ-PMPSAXMXSA-N 1 3 310.486 2.031 20 0 DEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654567468 425383545 /nfs/dbraw/zinc/38/35/45/425383545.db2.gz LPZOQPIUAAGRHZ-PMPSAXMXSA-N 1 3 310.486 2.031 20 0 DEADHO COC1([C@@H](C)[NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)CCC1 ZINC000657969118 425421957 /nfs/dbraw/zinc/42/19/57/425421957.db2.gz IUNWBDYTEKQHMD-CRAIPNDOSA-N 1 3 318.461 2.300 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000654728257 425423228 /nfs/dbraw/zinc/42/32/28/425423228.db2.gz CCLPQEHXXZFISL-IKGGRYGDSA-N 1 3 322.497 2.175 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)C[C@@H](N)Cc1ccccc1 ZINC000653175957 425424602 /nfs/dbraw/zinc/42/46/02/425424602.db2.gz HCUXDARRRGFECZ-KRWDZBQOSA-N 1 3 305.466 2.041 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)C[C@@H](N)Cc1ccccc1 ZINC000653175957 425424606 /nfs/dbraw/zinc/42/46/06/425424606.db2.gz HCUXDARRRGFECZ-KRWDZBQOSA-N 1 3 305.466 2.041 20 0 DEADHO CCCN(C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@H]1CCN(C)C1 ZINC000654737294 425430023 /nfs/dbraw/zinc/43/00/23/425430023.db2.gz NVADXUOIESVARS-BBWFWOEESA-N 1 3 322.497 2.129 20 0 DEADHO CCCN(C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@H]1CCN(C)C1 ZINC000654737294 425430028 /nfs/dbraw/zinc/43/00/28/425430028.db2.gz NVADXUOIESVARS-BBWFWOEESA-N 1 3 322.497 2.129 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)C1 ZINC000661509127 425430440 /nfs/dbraw/zinc/43/04/40/425430440.db2.gz XSQOQZDXIRDMIU-HZPDHXFCSA-N 1 3 324.513 2.233 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)C1 ZINC000661509127 425430444 /nfs/dbraw/zinc/43/04/44/425430444.db2.gz XSQOQZDXIRDMIU-HZPDHXFCSA-N 1 3 324.513 2.233 20 0 DEADHO COC1CCC([NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)CC1 ZINC000658135966 425441660 /nfs/dbraw/zinc/44/16/60/425441660.db2.gz FYEKOIVCUVGEPS-XBMUEBEBSA-N 1 3 318.461 2.300 20 0 DEADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1nccn1C ZINC000658165279 425451114 /nfs/dbraw/zinc/45/11/14/425451114.db2.gz HUPRHSQGSBLVOJ-HNNXBMFYSA-N 1 3 313.449 2.378 20 0 DEADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@H]3CC(=O)N(C)C3)CC2)C1 ZINC000658244752 425461170 /nfs/dbraw/zinc/46/11/70/425461170.db2.gz UEDFNVNOKKPXNI-INMHGKMJSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000654887425 425462445 /nfs/dbraw/zinc/46/24/45/425462445.db2.gz HDDUHSXJKKXUOU-RDTXWAMCSA-N 1 3 315.461 2.003 20 0 DEADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@@H](F)[C@H](N)C3)ccc21 ZINC000659016266 425520316 /nfs/dbraw/zinc/52/03/16/425520316.db2.gz WAVZHWCHQXNSSQ-BZUAXINKSA-N 1 3 320.412 2.139 20 0 DEADHO C[C@H]([NH2+]CC1(N)CCCC1)c1cccc(N2CCOCC2)c1 ZINC000665248745 425528430 /nfs/dbraw/zinc/52/84/30/425528430.db2.gz BOQZCKJAJUYYCL-HNNXBMFYSA-N 1 3 303.450 2.445 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254597 425529079 /nfs/dbraw/zinc/52/90/79/425529079.db2.gz UTIPSLTWPOQCOY-BYNBJNPRSA-N 1 3 317.452 2.344 20 0 DEADHO C[C@H]1COCC[C@@H]1N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665253182 425530202 /nfs/dbraw/zinc/53/02/02/425530202.db2.gz JHRXXRUJYHCQGN-YCCRMZCTSA-N 1 3 310.388 2.425 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)NCC[C@@H]([NH3+])C(C)C ZINC000665280329 425533462 /nfs/dbraw/zinc/53/34/62/425533462.db2.gz YYPYEBLDJJGSGG-UONOGXRCSA-N 1 3 307.438 2.375 20 0 DEADHO CC(C)[C@H](N)CC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000665281059 425535302 /nfs/dbraw/zinc/53/53/02/425535302.db2.gz SZDFKBGJFLSUMN-KBAYOESNSA-N 1 3 304.482 2.255 20 0 DEADHO O=C(CN1CCC[C@@H](C2CCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000662042475 425552206 /nfs/dbraw/zinc/55/22/06/425552206.db2.gz CZDKXXUAAGSRSI-MRXNPFEDSA-N 1 3 319.493 2.242 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000665367134 425555076 /nfs/dbraw/zinc/55/50/76/425555076.db2.gz QVCKJUXROPBWLQ-HZPDHXFCSA-N 1 3 322.497 2.129 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)N(C)C)cc1 ZINC000655445038 425568853 /nfs/dbraw/zinc/56/88/53/425568853.db2.gz GRWHGMADNQCOLU-LNLFQRSKSA-N 1 3 315.461 2.104 20 0 DEADHO C[C@@H]1C[C@H](C)N(C(=O)C[C@@H]2NCc3ccccc32)C[C@@H]1C[NH3+] ZINC000659326841 425578903 /nfs/dbraw/zinc/57/89/03/425578903.db2.gz ZCSCWPAJESSPBR-RMRKRWHISA-N 1 3 301.434 2.053 20 0 DEADHO COc1cccc(C[C@@H]2CCC[N@@H+]2C[C@H]2CCC3(CNC3)O2)c1 ZINC000662254036 425601299 /nfs/dbraw/zinc/60/12/99/425601299.db2.gz YTSMQJOHKHIQAH-FUHWJXTLSA-N 1 3 316.445 2.223 20 0 DEADHO COc1cccc(C[C@@H]2CCC[N@H+]2C[C@H]2CCC3(CNC3)O2)c1 ZINC000662254036 425601302 /nfs/dbraw/zinc/60/13/02/425601302.db2.gz YTSMQJOHKHIQAH-FUHWJXTLSA-N 1 3 316.445 2.223 20 0 DEADHO CN(CC(C)(C)[NH3+])C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000659437808 425602777 /nfs/dbraw/zinc/60/27/77/425602777.db2.gz IJFRTFTZCGTABW-MRXNPFEDSA-N 1 3 318.465 2.030 20 0 DEADHO c1ccc(C[C@@H]2CCC[N@@H+](C[C@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662255744 425603404 /nfs/dbraw/zinc/60/34/04/425603404.db2.gz CVINKNPDAAUNOP-ZWKOTPCHSA-N 1 3 300.446 2.462 20 0 DEADHO c1ccc(C[C@@H]2CCC[N@H+](C[C@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662255744 425603405 /nfs/dbraw/zinc/60/34/05/425603405.db2.gz CVINKNPDAAUNOP-ZWKOTPCHSA-N 1 3 300.446 2.462 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000659442023 425603866 /nfs/dbraw/zinc/60/38/66/425603866.db2.gz KJMSUAIWFUAYBQ-ZBFHGGJFSA-N 1 3 318.465 2.201 20 0 DEADHO C[C@@H](CC[NH2+]C1CCN([C@H]2CCOC2)CC1)N1CCCCC1 ZINC000655754376 425646787 /nfs/dbraw/zinc/64/67/87/425646787.db2.gz OTUDPMWTZOUBPF-WMZOPIPTSA-N 1 3 309.498 2.094 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc3c(s2)CCNC3)C1 ZINC000662422261 425647707 /nfs/dbraw/zinc/64/77/07/425647707.db2.gz SSWHYOUGACNXMI-CYBMUJFWSA-N 1 3 321.490 2.244 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cc3c(s2)CCNC3)C1 ZINC000662422261 425647711 /nfs/dbraw/zinc/64/77/11/425647711.db2.gz SSWHYOUGACNXMI-CYBMUJFWSA-N 1 3 321.490 2.244 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC000662429223 425648627 /nfs/dbraw/zinc/64/86/27/425648627.db2.gz KYQRJJVCCJIYCP-HNNXBMFYSA-N 1 3 321.490 2.480 20 0 DEADHO C[C@H]([NH3+])c1ccc(CNC(=O)c2cccc3c2CCNC3)cc1 ZINC000662429337 425648915 /nfs/dbraw/zinc/64/89/15/425648915.db2.gz IZUDZYXAZGLZPT-ZDUSSCGKSA-N 1 3 309.413 2.282 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000662469175 425657879 /nfs/dbraw/zinc/65/78/79/425657879.db2.gz ZUOIMLJSQXSHFQ-NXHRZFHOSA-N 1 3 317.477 2.496 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662485297 425662805 /nfs/dbraw/zinc/66/28/05/425662805.db2.gz OZTFZAHCRSJDEJ-CRAIPNDOSA-N 1 3 315.461 2.411 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662485297 425662808 /nfs/dbraw/zinc/66/28/08/425662808.db2.gz OZTFZAHCRSJDEJ-CRAIPNDOSA-N 1 3 315.461 2.411 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000662526059 425673956 /nfs/dbraw/zinc/67/39/56/425673956.db2.gz PKYMLJIADXTFNQ-IRXDYDNUSA-N 1 3 303.450 2.328 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)NC1CC([NH+]2CCCCC2)C1 ZINC000662532665 425675427 /nfs/dbraw/zinc/67/54/27/425675427.db2.gz CVWGIFQOMGOZCX-HTWSVDAQSA-N 1 3 313.445 2.354 20 0 DEADHO CN(C)C[C@H]1CCCN1C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662527654 425676009 /nfs/dbraw/zinc/67/60/09/425676009.db2.gz DYPUEPPHVKCTRJ-IAGOWNOFSA-N 1 3 315.461 2.231 20 0 DEADHO CC(C)CCNC(=O)[C@H](C)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290822 425613769 /nfs/dbraw/zinc/61/37/69/425613769.db2.gz LESPQTVSMAEQKE-DOTOQJQBSA-N 1 3 309.498 2.249 20 0 DEADHO C[C@H](NC(=O)N(C)CC(C)(C)[NH3+])[C@H](c1ccccc1)N(C)C ZINC000659492414 425614953 /nfs/dbraw/zinc/61/49/53/425614953.db2.gz NETRIYBDNYNLFC-DZGCQCFKSA-N 1 3 306.454 2.057 20 0 DEADHO CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000659491866 425615000 /nfs/dbraw/zinc/61/50/00/425615000.db2.gz DYNAWXLDSLSFGV-USXIJHARSA-N 1 3 320.481 2.350 20 0 DEADHO O=C(CN1CCC[C@@H](C2CC[NH2+]CC2)C1)NC1CCCCC1 ZINC000662296196 425615976 /nfs/dbraw/zinc/61/59/76/425615976.db2.gz XKQBVDNKQXNVTG-MRXNPFEDSA-N 1 3 307.482 2.147 20 0 DEADHO CC1CCC(NC(=O)CN2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662296210 425616153 /nfs/dbraw/zinc/61/61/53/425616153.db2.gz XWTAFIXXIBIXBZ-NXYGQSRBSA-N 1 3 321.509 2.393 20 0 DEADHO CNC(=O)c1cccc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662298043 425618133 /nfs/dbraw/zinc/61/81/33/425618133.db2.gz UHCLTOOUUGXSGA-SFHVURJKSA-N 1 3 315.461 2.258 20 0 DEADHO Cc1cccc(CNC(=O)CN2CCC[C@@H](C)[C@H]2CCC[NH3+])c1 ZINC000662314294 425621231 /nfs/dbraw/zinc/62/12/31/425621231.db2.gz PHLOXXXZVGHXCI-SJLPKXTDSA-N 1 3 317.477 2.451 20 0 DEADHO COc1ccccc1NC(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313135 425621916 /nfs/dbraw/zinc/62/19/16/425621916.db2.gz KBLGRHQKABZNOF-GDBMZVCRSA-N 1 3 319.449 2.473 20 0 DEADHO CN(CCN1CCO[C@@H](CCC[NH+](C)C)C1)Cc1ccccc1 ZINC000662326506 425624603 /nfs/dbraw/zinc/62/46/03/425624603.db2.gz VCUFTMJMIPPZCF-IBGZPJMESA-N 1 3 319.493 2.161 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662337838 425627743 /nfs/dbraw/zinc/62/77/43/425627743.db2.gz VCOXCZPBUPUBLN-NJAFHUGGSA-N 1 3 313.445 2.212 20 0 DEADHO C[C@H](C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)N1CCCC[C@H]1C ZINC000655689592 425629871 /nfs/dbraw/zinc/62/98/71/425629871.db2.gz HFDNZWDKNNXSBT-ZHALLVOQSA-N 1 3 323.525 2.482 20 0 DEADHO C[C@@H](C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)N1CCC[C@@H](C)C1 ZINC000655690102 425629937 /nfs/dbraw/zinc/62/99/37/425629937.db2.gz VMNQEYQRBSQUJP-ZIFCJYIRSA-N 1 3 323.525 2.340 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2c(s1)CCNC2 ZINC000662351425 425630487 /nfs/dbraw/zinc/63/04/87/425630487.db2.gz KBGKZLRUDUVMOM-ZDUSSCGKSA-N 1 3 321.490 2.388 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc2c(s1)CCNC2 ZINC000662351425 425630489 /nfs/dbraw/zinc/63/04/89/425630489.db2.gz KBGKZLRUDUVMOM-ZDUSSCGKSA-N 1 3 321.490 2.388 20 0 DEADHO C[C@@H](CNC(=O)C[C@H]1NCc2ccccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000662386466 425638974 /nfs/dbraw/zinc/63/89/74/425638974.db2.gz AJWROSBWDWWUMH-RVKKMQEKSA-N 1 3 315.461 2.458 20 0 DEADHO C[C@@H](CNC(=O)C[C@H]1NCc2ccccc21)[N@H+]1CCC[C@@H](C)C1 ZINC000662386466 425638978 /nfs/dbraw/zinc/63/89/78/425638978.db2.gz AJWROSBWDWWUMH-RVKKMQEKSA-N 1 3 315.461 2.458 20 0 DEADHO O=C(c1ccc2c(c1)CNC2)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662592178 425688895 /nfs/dbraw/zinc/68/88/95/425688895.db2.gz YFKRWQRPWOCVDT-INIZCTEOSA-N 1 3 313.445 2.142 20 0 DEADHO N[C@@H](CC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccccc1 ZINC000662593535 425689059 /nfs/dbraw/zinc/68/90/59/425689059.db2.gz LRVPTUVVEJZDLX-ROUUACIJSA-N 1 3 315.461 2.315 20 0 DEADHO C[C@H](C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)N1CCCCCC1 ZINC000662598574 425690687 /nfs/dbraw/zinc/69/06/87/425690687.db2.gz WGMZYYJSGMWKLG-SJLPKXTDSA-N 1 3 321.509 2.489 20 0 DEADHO Cc1cnc(OC2CCN(CCCC3CC[NH2+]CC3)CC2)nc1 ZINC000655947636 425692132 /nfs/dbraw/zinc/69/21/32/425692132.db2.gz ULABOXZIUYPNSS-UHFFFAOYSA-N 1 3 318.465 2.408 20 0 DEADHO [NH3+]C[C@H](NC(=O)N[C@@H]1CCCN2CCCC[C@H]12)C1CCCCC1 ZINC000655964423 425695346 /nfs/dbraw/zinc/69/53/46/425695346.db2.gz SXYPHCUEHYUOSC-IXDOHACOSA-N 1 3 322.497 2.210 20 0 DEADHO CC(C)C[C@H](CNC(=O)C[C@H]1NCc2ccccc21)[NH+](C)C ZINC000662674106 425709777 /nfs/dbraw/zinc/70/97/77/425709777.db2.gz VJTMCGGCZOBMPX-NVXWUHKLSA-N 1 3 303.450 2.314 20 0 DEADHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1cccc2c1C[NH2+]C2 ZINC000662685383 425711761 /nfs/dbraw/zinc/71/17/61/425711761.db2.gz RSASMDGTMOTWEA-SFHVURJKSA-N 1 3 323.396 2.203 20 0 DEADHO O=C(CCC1CC[NH2+]CC1)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000662685723 425712318 /nfs/dbraw/zinc/71/23/18/425712318.db2.gz GYMNNQJZVNZIRC-KRWDZBQOSA-N 1 3 317.433 2.066 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCN(c3ccncc3)CC2)C1 ZINC000660002770 425712510 /nfs/dbraw/zinc/71/25/10/425712510.db2.gz AIEQDHNVHOBNJZ-IAGOWNOFSA-N 1 3 302.466 2.182 20 0 DEADHO CC[N@H+](C)Cc1cccc(CNC(=O)C2(NC3CC3)CCC2)c1 ZINC000662692209 425713602 /nfs/dbraw/zinc/71/36/02/425713602.db2.gz CHAKASAGTFSRSW-UHFFFAOYSA-N 1 3 315.461 2.429 20 0 DEADHO CC[N@@H+](C)Cc1cccc(CNC(=O)C2(NC3CC3)CCC2)c1 ZINC000662692209 425713606 /nfs/dbraw/zinc/71/36/06/425713606.db2.gz CHAKASAGTFSRSW-UHFFFAOYSA-N 1 3 315.461 2.429 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H]2[NH2+]CCC2(C)C)C1 ZINC000662696872 425715710 /nfs/dbraw/zinc/71/57/10/425715710.db2.gz XSHWVQVWEYOSDH-DJIMGWMZSA-N 1 3 315.461 2.326 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cccc3c2CCNC3)C1 ZINC000662702168 425716918 /nfs/dbraw/zinc/71/69/18/425716918.db2.gz YBLZNHZRGGYYAD-HNNXBMFYSA-N 1 3 315.461 2.183 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cccc3c2CCNC3)C1 ZINC000662702168 425716920 /nfs/dbraw/zinc/71/69/20/425716920.db2.gz YBLZNHZRGGYYAD-HNNXBMFYSA-N 1 3 315.461 2.183 20 0 DEADHO CCCN1CC[C@H](NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)C1 ZINC000662702672 425717704 /nfs/dbraw/zinc/71/77/04/425717704.db2.gz CDBJQZFRKAVZLI-IRXDYDNUSA-N 1 3 315.461 2.279 20 0 DEADHO C[C@H]1CCN(CCNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)C1 ZINC000662744678 425726422 /nfs/dbraw/zinc/72/64/22/425726422.db2.gz COBWYFCPEAHTFQ-WMLDXEAASA-N 1 3 315.461 2.137 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccccc2CN2CCCC2=O)C1 ZINC000656193120 425726796 /nfs/dbraw/zinc/72/67/96/425726796.db2.gz PTCBQQVRRKTPDK-IAGOWNOFSA-N 1 3 301.434 2.169 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc3c2CCNC3)[C@@H](C)C1 ZINC000662744733 425726908 /nfs/dbraw/zinc/72/69/08/425726908.db2.gz GTHOBQKPGQNSDD-KSSFIOAISA-N 1 3 315.461 2.135 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc3c2CCNC3)[C@@H](C)C1 ZINC000662744733 425726912 /nfs/dbraw/zinc/72/69/12/425726912.db2.gz GTHOBQKPGQNSDD-KSSFIOAISA-N 1 3 315.461 2.135 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc3c2CNC3)C[C@@H]1C ZINC000662743553 425727104 /nfs/dbraw/zinc/72/71/04/425727104.db2.gz PAFKDPQJHDCGEL-ZFWWWQNUSA-N 1 3 301.434 2.235 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc3c2CNC3)C[C@@H]1C ZINC000662743553 425727107 /nfs/dbraw/zinc/72/71/07/425727107.db2.gz PAFKDPQJHDCGEL-ZFWWWQNUSA-N 1 3 301.434 2.235 20 0 DEADHO C[C@H](CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200878 425729350 /nfs/dbraw/zinc/72/93/50/425729350.db2.gz WUQXYPJYAWRHLL-GJGATLCTSA-N 1 3 319.493 2.032 20 0 DEADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200558 425729476 /nfs/dbraw/zinc/72/94/76/425729476.db2.gz QNYACZSPVCTGQE-MDMSPXHWSA-N 1 3 311.514 2.385 20 0 DEADHO C[C@@H](NCCN1C[C@@H](C)O[C@H](C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660256661 425777176 /nfs/dbraw/zinc/77/71/76/425777176.db2.gz MTZBBUSUERFNQX-TVFCKZIOSA-N 1 3 323.525 2.338 20 0 DEADHO C[C@@H](NCCN1C[C@@H](C)O[C@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256661 425777179 /nfs/dbraw/zinc/77/71/79/425777179.db2.gz MTZBBUSUERFNQX-TVFCKZIOSA-N 1 3 323.525 2.338 20 0 DEADHO C[C@@H]([NH2+]CCN1C[C@@H](C)O[C@H](C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000660256661 425777181 /nfs/dbraw/zinc/77/71/81/425777181.db2.gz MTZBBUSUERFNQX-TVFCKZIOSA-N 1 3 323.525 2.338 20 0 DEADHO CC1(C)CCCN[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663005953 425777371 /nfs/dbraw/zinc/77/73/71/425777371.db2.gz ZTWXOXAKWQTPCH-HOTGVXAUSA-N 1 3 307.482 2.003 20 0 DEADHO CC1(C)CCCN[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663005953 425777374 /nfs/dbraw/zinc/77/73/74/425777374.db2.gz ZTWXOXAKWQTPCH-HOTGVXAUSA-N 1 3 307.482 2.003 20 0 DEADHO CC[C@@H](C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)N(CC)CC ZINC000662845408 425749084 /nfs/dbraw/zinc/74/90/84/425749084.db2.gz HZSQEWWJZLJELP-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1CCCCC1 ZINC000663404931 425835970 /nfs/dbraw/zinc/83/59/70/425835970.db2.gz LFQFAOUUGGAHAZ-HNNXBMFYSA-N 1 3 312.502 2.138 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1CCCCC1 ZINC000663404931 425835971 /nfs/dbraw/zinc/83/59/71/425835971.db2.gz LFQFAOUUGGAHAZ-HNNXBMFYSA-N 1 3 312.502 2.138 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000363698021 269071441 /nfs/dbraw/zinc/07/14/41/269071441.db2.gz ZISLBOZNQISKKP-QGZVFWFLSA-N 1 3 301.434 2.059 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000363698021 269071442 /nfs/dbraw/zinc/07/14/42/269071442.db2.gz ZISLBOZNQISKKP-QGZVFWFLSA-N 1 3 301.434 2.059 20 0 DEADHO COc1ccc(CN2CCC(O)(C[NH3+])CC2)c2ccccc12 ZINC000397032308 269104929 /nfs/dbraw/zinc/10/49/29/269104929.db2.gz YEVIRYDJYZTJNZ-UHFFFAOYSA-N 1 3 300.402 2.134 20 0 DEADHO O=C(NCCCCC[NH2+]C1CCNCC1)OCc1ccccc1 ZINC000397738493 269106524 /nfs/dbraw/zinc/10/65/24/269106524.db2.gz UPRYWOPRUBDGAJ-UHFFFAOYSA-N 1 3 319.449 2.425 20 0 DEADHO Cc1cc(NCC2(O)CCN(Cc3ccccc3)CC2)cc[nH+]1 ZINC000397606282 269107030 /nfs/dbraw/zinc/10/70/30/269107030.db2.gz XCSCIROBHREPHC-UHFFFAOYSA-N 1 3 311.429 2.251 20 0 DEADHO COCCOCc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423143234 269115424 /nfs/dbraw/zinc/11/54/24/269115424.db2.gz WOKAZRXTLRQHGA-ZWKOTPCHSA-N 1 3 306.450 2.457 20 0 DEADHO C[C@H]1C[N@H+](CCCNCc2cccc3c[nH]nc32)CCCO1 ZINC000432347379 269135052 /nfs/dbraw/zinc/13/50/52/269135052.db2.gz OXGFVTLADMJSCY-AWEZNQCLSA-N 1 3 302.422 2.153 20 0 DEADHO C[C@H]1C[N@@H+](CCCNCc2cccc3c[nH]nc32)CCCO1 ZINC000432347379 269135053 /nfs/dbraw/zinc/13/50/53/269135053.db2.gz OXGFVTLADMJSCY-AWEZNQCLSA-N 1 3 302.422 2.153 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C[C@@H]2CN(C)C(=O)O2)CC1 ZINC000495732930 269172860 /nfs/dbraw/zinc/17/28/60/269172860.db2.gz YKLIVBJYVMXCIC-RDJZCZTQSA-N 1 3 323.481 2.414 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C[C@@H]2CN(C)C(=O)O2)CC1 ZINC000495732930 269172861 /nfs/dbraw/zinc/17/28/61/269172861.db2.gz YKLIVBJYVMXCIC-RDJZCZTQSA-N 1 3 323.481 2.414 20 0 DEADHO CC(C)COC(=O)N1CCC([NH2+]CCCN2CCCC2)CC1 ZINC000495746107 269174002 /nfs/dbraw/zinc/17/40/02/269174002.db2.gz CCISBYYQBAPGBP-UHFFFAOYSA-N 1 3 311.470 2.319 20 0 DEADHO C[C@H]([NH2+]CCCN1CCCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495749171 269174717 /nfs/dbraw/zinc/17/47/17/269174717.db2.gz LJBOILMZZIQUEE-AWEZNQCLSA-N 1 3 311.470 2.317 20 0 DEADHO C[C@H](C[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)CN(C)C ZINC000496004748 269192332 /nfs/dbraw/zinc/19/23/32/269192332.db2.gz LNLSBWTZEWXUJJ-MCIONIFRSA-N 1 3 301.475 2.466 20 0 DEADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@@H](N)c1ccccc1 ZINC000515073089 269343165 /nfs/dbraw/zinc/34/31/65/269343165.db2.gz FIMNDBLUKGFGIH-DOTOQJQBSA-N 1 3 318.465 2.106 20 0 DEADHO CC[N@H+](C)C[C@H](O)CN(Cc1ccccc1)CC1CCOCC1 ZINC000516843119 269369970 /nfs/dbraw/zinc/36/99/70/269369970.db2.gz FRVRGIDSZCUOKZ-IBGZPJMESA-N 1 3 320.477 2.228 20 0 DEADHO CC[N@@H+](C)C[C@H](O)CN(Cc1ccccc1)CC1CCOCC1 ZINC000516843119 269369971 /nfs/dbraw/zinc/36/99/71/269369971.db2.gz FRVRGIDSZCUOKZ-IBGZPJMESA-N 1 3 320.477 2.228 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N(C)CCC[NH3+])CC1 ZINC000517719958 269390717 /nfs/dbraw/zinc/39/07/17/269390717.db2.gz LXURKZJCJFMPCS-OAHLLOKOSA-N 1 3 318.465 2.202 20 0 DEADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000247210932 287683103 /nfs/dbraw/zinc/68/31/03/287683103.db2.gz NKUVIEDJSGVJNT-BFYDXBDKSA-N 1 3 303.450 2.278 20 0 DEADHO O[C@H]1C[NH2+]C[C@H]1CNCCCc1c(Cl)cccc1Cl ZINC000346022471 275059193 /nfs/dbraw/zinc/05/91/93/275059193.db2.gz VAVLSWMLUPVMTL-YGRLFVJLSA-N 1 3 303.233 2.096 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000340551829 276006786 /nfs/dbraw/zinc/00/67/86/276006786.db2.gz YEIWSDZNRODAJO-JFIYKMOQSA-N 1 3 309.498 2.488 20 0 DEADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000349665735 276323915 /nfs/dbraw/zinc/32/39/15/276323915.db2.gz JHJPLXXEVRGCKC-CVEARBPZSA-N 1 3 312.502 2.233 20 0 DEADHO CC[C@H](C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)N(C)C ZINC000298619509 276540668 /nfs/dbraw/zinc/54/06/68/276540668.db2.gz PBBUCFKULFRZLV-GOSISDBHSA-N 1 3 317.477 2.450 20 0 DEADHO COCCN1CC[C@H](NC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC000358729945 277227091 /nfs/dbraw/zinc/22/70/91/277227091.db2.gz ZJGHWPSOCXPMNV-YTQUADARSA-N 1 3 323.525 2.340 20 0 DEADHO C[NH2+]CCC1CCN([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000262475629 277266152 /nfs/dbraw/zinc/26/61/52/277266152.db2.gz JPOOCRXPDGQXKN-QGZVFWFLSA-N 1 3 301.434 2.261 20 0 DEADHO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000295025837 277977064 /nfs/dbraw/zinc/97/70/64/277977064.db2.gz NOZLFZOYMSGLCM-CZUORRHYSA-N 1 3 305.397 2.044 20 0 DEADHO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000420308787 278134221 /nfs/dbraw/zinc/13/42/21/278134221.db2.gz OEIAMADDNLZURE-OAHLLOKOSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H](CC(=O)NC[C@H](c1ccccc1)N(C)C)C1CC[NH2+]CC1 ZINC000237646230 278163531 /nfs/dbraw/zinc/16/35/31/278163531.db2.gz JPQAPFGUXPDKGP-CRAIPNDOSA-N 1 3 317.477 2.431 20 0 DEADHO C[C@@H](CS(C)(=O)=O)[NH2+]C1CCC(N2CCC(C)CC2)CC1 ZINC000183383059 278292754 /nfs/dbraw/zinc/29/27/54/278292754.db2.gz RYYFQWVNHYWHKU-FHERZECASA-N 1 3 316.511 2.052 20 0 DEADHO C[C@@H](CS(C)(=O)=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000183383059 278292757 /nfs/dbraw/zinc/29/27/57/278292757.db2.gz RYYFQWVNHYWHKU-FHERZECASA-N 1 3 316.511 2.052 20 0 DEADHO CC[C@H]([NH2+]CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@H]1CCCCN1 ZINC000422799581 288036488 /nfs/dbraw/zinc/03/64/88/288036488.db2.gz XMYPTYCCZFOURA-LUKYLMHMSA-N 1 3 311.514 2.385 20 0 DEADHO CC[C@H](N[C@@H](C)C1C[NH2+]C1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000423012413 288058411 /nfs/dbraw/zinc/05/84/11/288058411.db2.gz KUTCRPLKJATEOQ-WBAXXEDZSA-N 1 3 313.449 2.152 20 0 DEADHO CC[C@H]([NH2+][C@@H](C)C1CNC1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000423012413 288058413 /nfs/dbraw/zinc/05/84/13/288058413.db2.gz KUTCRPLKJATEOQ-WBAXXEDZSA-N 1 3 313.449 2.152 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C[C@@H](C)O1 ZINC000248819691 278747205 /nfs/dbraw/zinc/74/72/05/278747205.db2.gz WJNAAGUFLFJPPL-HSFUPAIVSA-N 1 3 322.493 2.423 20 0 DEADHO CC(C)CN(C(=O)C[C@H]1CCC[NH2+]CC1)C1CCN(C)CC1 ZINC000423759051 278815422 /nfs/dbraw/zinc/81/54/22/278815422.db2.gz LFSBAASDRWICAU-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N2CCN(CC3CCCCC3)CC2)CC[NH2+]1 ZINC000418601053 278979324 /nfs/dbraw/zinc/97/93/24/278979324.db2.gz LHPTXPSCIAZFIF-NVXWUHKLSA-N 1 3 322.497 2.034 20 0 DEADHO CC[NH+](CC)CCC[C@H](C)NC(=O)C1CCN(C2CC2)CC1 ZINC000338771630 279101150 /nfs/dbraw/zinc/10/11/50/279101150.db2.gz TXPGQOJAJZJSGG-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[C@H]([NH3+])CN1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000414684139 279179043 /nfs/dbraw/zinc/17/90/43/279179043.db2.gz CQGPSTXJNVXYBJ-NUJGCVRESA-N 1 3 311.514 2.181 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000428854360 279271612 /nfs/dbraw/zinc/27/16/12/279271612.db2.gz DHYIYALJNNVKPU-QGZVFWFLSA-N 1 3 322.497 2.034 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185637903 279271639 /nfs/dbraw/zinc/27/16/39/279271639.db2.gz DAKLMSHRABAOFO-MRXNPFEDSA-N 1 3 324.513 2.282 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCC=C(C)C ZINC000359358450 279302712 /nfs/dbraw/zinc/30/27/12/279302712.db2.gz FWJGBPOKDUDXIN-QGZVFWFLSA-N 1 3 324.513 2.400 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCC=C(C)C ZINC000359358450 279302713 /nfs/dbraw/zinc/30/27/13/279302713.db2.gz FWJGBPOKDUDXIN-QGZVFWFLSA-N 1 3 324.513 2.400 20 0 DEADHO C[C@H](C[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl)CN(C)C ZINC000293351920 279351429 /nfs/dbraw/zinc/35/14/29/279351429.db2.gz GZCQCMYFOJDYHY-VXGBXAGGSA-N 1 3 312.845 2.239 20 0 DEADHO C[C@H](CN[C@H](C)CC(=O)Nc1cccnc1Cl)C[NH+](C)C ZINC000293351920 279351432 /nfs/dbraw/zinc/35/14/32/279351432.db2.gz GZCQCMYFOJDYHY-VXGBXAGGSA-N 1 3 312.845 2.239 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCCN(C)C1 ZINC000133892291 282028785 /nfs/dbraw/zinc/02/87/85/282028785.db2.gz OAKQRJGZTWJHGI-IRXDYDNUSA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCCN(C)C1 ZINC000133892291 282028790 /nfs/dbraw/zinc/02/87/90/282028790.db2.gz OAKQRJGZTWJHGI-IRXDYDNUSA-N 1 3 324.513 2.138 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)N(C)C)cc1 ZINC000290373127 288562364 /nfs/dbraw/zinc/56/23/64/288562364.db2.gz RLBFYMHIYOLQCC-OLMNPRSZSA-N 1 3 317.477 2.356 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000342763896 288853837 /nfs/dbraw/zinc/85/38/37/288853837.db2.gz FBZKDROMPUALMT-JQHSSLGASA-N 1 3 315.461 2.328 20 0 DEADHO C[C@H](C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)[C@@H](N)c1ccccc1 ZINC000262328620 289312656 /nfs/dbraw/zinc/31/26/56/289312656.db2.gz SCSLRVBMDKINTQ-YQFWSFKMSA-N 1 3 301.434 2.018 20 0 DEADHO C[C@H](C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C)[C@@H](N)c1ccccc1 ZINC000262328620 289312657 /nfs/dbraw/zinc/31/26/57/289312657.db2.gz SCSLRVBMDKINTQ-YQFWSFKMSA-N 1 3 301.434 2.018 20 0 DEADHO C[NH+]1CCC(O)(CN[C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000268974646 289888568 /nfs/dbraw/zinc/88/85/68/289888568.db2.gz IWEIEOKCIUHQRW-OAHLLOKOSA-N 1 3 308.397 2.086 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC(C)(C)CN(C)C ZINC000457729626 290385633 /nfs/dbraw/zinc/38/56/33/290385633.db2.gz HWBLIYHTRTYJTB-HNNXBMFYSA-N 1 3 312.502 2.280 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC(C)(C)CN(C)C ZINC000457729626 290385636 /nfs/dbraw/zinc/38/56/36/290385636.db2.gz HWBLIYHTRTYJTB-HNNXBMFYSA-N 1 3 312.502 2.280 20 0 DEADHO COc1ccc(CC[N@H+](C)CCCN(C)CCN(C)C)cc1 ZINC000289464650 295119674 /nfs/dbraw/zinc/11/96/74/295119674.db2.gz QJSKTUIIYABROT-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO COc1ccc(CC[N@@H+](C)CCCN(C)CCN(C)C)cc1 ZINC000289464650 295119677 /nfs/dbraw/zinc/11/96/77/295119677.db2.gz QJSKTUIIYABROT-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO NC[C@H](NC(=O)[C@@H]1CCCCC[NH2+]1)c1ccc2ccccc2c1 ZINC000365707247 295263598 /nfs/dbraw/zinc/26/35/98/295263598.db2.gz GVSCFFAFWRFGCE-ROUUACIJSA-N 1 3 311.429 2.488 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)C2CC([NH2+]CCC(C)(C)C)C2)C1 ZINC001423695132 1173496038 /nfs/dbraw/zinc/49/60/38/1173496038.db2.gz MMFOGZWPWBOROC-FHERZECASA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](C(=O)N1C[C@H]([NH3+])Cc2ccccc21)N1CCCCCC1 ZINC000424085945 298105670 /nfs/dbraw/zinc/10/56/70/298105670.db2.gz ZGPMQOXROVVMDN-GDBMZVCRSA-N 1 3 301.434 2.168 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2C2CCCCC2)C1 ZINC000414679274 303366461 /nfs/dbraw/zinc/36/64/61/303366461.db2.gz RUAVYYCYYQRIEF-NVXWUHKLSA-N 1 3 307.482 2.228 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]2C2CCCCC2)C1 ZINC000414679274 303366463 /nfs/dbraw/zinc/36/64/63/303366463.db2.gz RUAVYYCYYQRIEF-NVXWUHKLSA-N 1 3 307.482 2.228 20 0 DEADHO COc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1NC(C)=O ZINC000422840121 533699433 /nfs/dbraw/zinc/69/94/33/533699433.db2.gz BBKSAYNNSCUBLC-CABCVRRESA-N 1 3 305.422 2.261 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)CC[NH2+]C2CC2)CC1 ZINC000572541754 325946855 /nfs/dbraw/zinc/94/68/55/325946855.db2.gz IKJPFDXRWASVHR-OAHLLOKOSA-N 1 3 315.461 2.470 20 0 DEADHO C[C@H](NC[C@H](O)COCc1ccccc1)C(C)(C)C[NH+](C)C ZINC000573835631 326097299 /nfs/dbraw/zinc/09/72/99/326097299.db2.gz URQJXXABPFQCDG-RDJZCZTQSA-N 1 3 308.466 2.130 20 0 DEADHO C[NH+](C)CCOc1cnccc1CNC[C@H](O)C1CCCCC1 ZINC000573914739 326104506 /nfs/dbraw/zinc/10/45/06/326104506.db2.gz RXYMZTRXBGNJNS-KRWDZBQOSA-N 1 3 321.465 2.053 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](NC[C@H](CO)Cc2cc(F)c(F)c(F)c2)C1 ZINC000573933744 326107326 /nfs/dbraw/zinc/10/73/26/326107326.db2.gz IQHHOSKPXNOCHS-UPJWGTAASA-N 1 3 316.367 2.114 20 0 DEADHO c1nc(N2CCCC2)ncc1CNCC1CC[NH+](C2CC2)CC1 ZINC000574514083 326161231 /nfs/dbraw/zinc/16/12/31/326161231.db2.gz LRLGKKYBGOWWJL-UHFFFAOYSA-N 1 3 315.465 2.041 20 0 DEADHO O=C1C[C@@H](C[NH2+]C2CCN(C3CCCCC3)CC2)CN1C1CC1 ZINC000574816209 326189821 /nfs/dbraw/zinc/18/98/21/326189821.db2.gz PGXBDEXZYLFLCW-HNNXBMFYSA-N 1 3 319.493 2.384 20 0 DEADHO CC[N@H+](C)C[C@H](O)CN1CCC[C@H](Cc2ccc(OC)cc2)C1 ZINC000575068994 326215893 /nfs/dbraw/zinc/21/58/93/326215893.db2.gz JUBKCKGUJRNZCP-MSOLQXFVSA-N 1 3 320.477 2.262 20 0 DEADHO CC[N@@H+](C)C[C@H](O)CN1CCC[C@H](Cc2ccc(OC)cc2)C1 ZINC000575068994 326215894 /nfs/dbraw/zinc/21/58/94/326215894.db2.gz JUBKCKGUJRNZCP-MSOLQXFVSA-N 1 3 320.477 2.262 20 0 DEADHO C[C@@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)N(C)C1CC1 ZINC000576238823 326279949 /nfs/dbraw/zinc/27/99/49/326279949.db2.gz JUDSNVGGWJSKMJ-AWEZNQCLSA-N 1 3 303.450 2.003 20 0 DEADHO CCO[C@@H]1C[C@@H]1NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000576814145 326321260 /nfs/dbraw/zinc/32/12/60/326321260.db2.gz YPCIELQQLSFCHN-PKOBYXMFSA-N 1 3 317.477 2.484 20 0 DEADHO CC(C)(C[NH2+]C[C@@H](O)Cc1ccc(F)cc1)CN1CCCC1 ZINC000576865696 326324740 /nfs/dbraw/zinc/32/47/40/326324740.db2.gz IGSBPCBLNHCIDL-KRWDZBQOSA-N 1 3 308.441 2.441 20 0 DEADHO C[C@@H]1COCCN1C1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000576955041 326332619 /nfs/dbraw/zinc/33/26/19/326332619.db2.gz VZHKVQFQTDOFNL-IAGOWNOFSA-N 1 3 309.498 2.046 20 0 DEADHO C[C@@H]1COCCN1C1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000576955041 326332621 /nfs/dbraw/zinc/33/26/21/326332621.db2.gz VZHKVQFQTDOFNL-IAGOWNOFSA-N 1 3 309.498 2.046 20 0 DEADHO C[C@@H]1COCCN1C1CC[NH+](CC[C@H]2CCCCN2C)CC1 ZINC000576955041 326332623 /nfs/dbraw/zinc/33/26/23/326332623.db2.gz VZHKVQFQTDOFNL-IAGOWNOFSA-N 1 3 309.498 2.046 20 0 DEADHO Cc1cccc(OCCCNC[C@H](O)C[N@@H+](C)C2CC2)c1C ZINC000577099022 326342760 /nfs/dbraw/zinc/34/27/60/326342760.db2.gz RUZKQSUSUQWIHF-KRWDZBQOSA-N 1 3 306.450 2.117 20 0 DEADHO Cc1cccc(OCCCNC[C@H](O)C[N@H+](C)C2CC2)c1C ZINC000577099022 326342761 /nfs/dbraw/zinc/34/27/61/326342761.db2.gz RUZKQSUSUQWIHF-KRWDZBQOSA-N 1 3 306.450 2.117 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1ccccc1 ZINC000582903451 337213580 /nfs/dbraw/zinc/21/35/80/337213580.db2.gz AVIMHKOECXJDSW-HLLBOEOZSA-N 1 3 320.481 2.495 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000583064617 337234832 /nfs/dbraw/zinc/23/48/32/337234832.db2.gz RTBOXUBIEATDBL-CVEARBPZSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000583064617 337234833 /nfs/dbraw/zinc/23/48/33/337234833.db2.gz RTBOXUBIEATDBL-CVEARBPZSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)[NH2+]CC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000398161527 337307630 /nfs/dbraw/zinc/30/76/30/337307630.db2.gz SDRHAEJSIRYAJM-RDJZCZTQSA-N 1 3 303.450 2.011 20 0 DEADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000583751181 337329208 /nfs/dbraw/zinc/32/92/08/337329208.db2.gz HQCNFRIKEMXFCG-HUUCEWRRSA-N 1 3 318.465 2.076 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000577863389 341944387 /nfs/dbraw/zinc/94/43/87/341944387.db2.gz BCQSUARBUZWFRH-PBHICJAKSA-N 1 3 303.450 2.095 20 0 DEADHO CCc1ccccc1C[NH2+][C@@H](C)CNC(=O)[C@H](CC)N(C)C ZINC001376809529 1159809078 /nfs/dbraw/zinc/80/90/78/1159809078.db2.gz JXPVUJVMKRSYCQ-YOEHRIQHSA-N 1 3 305.466 2.184 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@H+](C)CC2CCCC2)C1 ZINC001376997841 1159870475 /nfs/dbraw/zinc/87/04/75/1159870475.db2.gz PVUVQZYCIQXTFG-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCC2)C1 ZINC001376997841 1159870476 /nfs/dbraw/zinc/87/04/76/1159870476.db2.gz PVUVQZYCIQXTFG-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccc(F)cc1 ZINC001378341691 1152299031 /nfs/dbraw/zinc/29/90/31/1152299031.db2.gz PHWUUCNLEDRBFS-MRXNPFEDSA-N 1 3 309.429 2.150 20 0 DEADHO CC[C@H](C(=O)NC1(C[NH2+]CC[C@H](C)F)CCCCC1)N(C)C ZINC001329829915 1149001156 /nfs/dbraw/zinc/00/11/56/1149001156.db2.gz VJOYODJVXMMVLB-LSDHHAIUSA-N 1 3 315.477 2.483 20 0 DEADHO CC(C)[C@H](CCN(C)C(=O)[C@H]1CCCN1C)[NH2+]CC1CCC1 ZINC001378381045 1152310354 /nfs/dbraw/zinc/31/03/54/1152310354.db2.gz NLWNJJGRLISOGL-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](CC[C@H](C)F)C1CC1 ZINC001377565220 1160549114 /nfs/dbraw/zinc/54/91/14/1160549114.db2.gz AILZKFJDRITZIG-GOEBONIOSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC001377724241 1160788981 /nfs/dbraw/zinc/78/89/81/1160788981.db2.gz KCMGVOWOWXLUOE-ZDUSSCGKSA-N 1 3 323.403 2.107 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CC1)N(C)C ZINC001378524301 1152360826 /nfs/dbraw/zinc/36/08/26/1152360826.db2.gz MSQSGDFLMIUIAV-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CC1)N(C)C ZINC001378524301 1152360830 /nfs/dbraw/zinc/36/08/30/1152360830.db2.gz MSQSGDFLMIUIAV-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CCC1)C1CC1 ZINC001398405361 1160879136 /nfs/dbraw/zinc/87/91/36/1160879136.db2.gz JVGBUIKAVIXYJP-IRXDYDNUSA-N 1 3 307.482 2.144 20 0 DEADHO CCCC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001398680566 1161052266 /nfs/dbraw/zinc/05/22/66/1161052266.db2.gz FVTXAIMWDMZMIT-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CCCC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001398680566 1161052273 /nfs/dbraw/zinc/05/22/73/1161052273.db2.gz FVTXAIMWDMZMIT-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)[N@H+](C)[C@@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001378146973 1161055461 /nfs/dbraw/zinc/05/54/61/1161055461.db2.gz SFOCITAFMUOBJN-XJKSGUPXSA-N 1 3 301.450 2.044 20 0 DEADHO CC(C)[N@@H+](C)[C@@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001378146973 1161055465 /nfs/dbraw/zinc/05/54/65/1161055465.db2.gz SFOCITAFMUOBJN-XJKSGUPXSA-N 1 3 301.450 2.044 20 0 DEADHO CC/C=C\CC[NH+]1CC([C@H](C)NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001330055202 1149041864 /nfs/dbraw/zinc/04/18/64/1149041864.db2.gz UJBTWICTPPCWBV-OKQSBHACSA-N 1 3 307.482 2.121 20 0 DEADHO CC[C@H](C(=O)N(C)C1CC([NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001369580493 1149050223 /nfs/dbraw/zinc/05/02/23/1149050223.db2.gz ATAURQRNHCCOIX-OFLPRAFFSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+]CC[C@@H](C)F)CCCC1 ZINC001378716611 1152422517 /nfs/dbraw/zinc/42/25/17/1152422517.db2.gz LAAYLWQEZCNKCA-CQSZACIVSA-N 1 3 301.450 2.093 20 0 DEADHO COc1ccccc1C1(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000422847352 533999677 /nfs/dbraw/zinc/99/96/77/533999677.db2.gz RGWZUGDDKYRBCJ-IIAWOOMASA-N 1 3 304.434 2.069 20 0 DEADHO COc1ccccc1C1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)N)CC1 ZINC000422847352 533999690 /nfs/dbraw/zinc/99/96/90/533999690.db2.gz RGWZUGDDKYRBCJ-IIAWOOMASA-N 1 3 304.434 2.069 20 0 DEADHO Cc1cc(C)n2c(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cnc2n1 ZINC000414773189 534124543 /nfs/dbraw/zinc/12/45/43/534124543.db2.gz DCRWAFOWERDCQQ-HOTGVXAUSA-N 1 3 313.449 2.168 20 0 DEADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCc1cccc(C(N)=O)c1 ZINC000422949329 534201397 /nfs/dbraw/zinc/20/13/97/534201397.db2.gz VAFMWSQFOLMSHN-YOEHRIQHSA-N 1 3 303.450 2.228 20 0 DEADHO COC(=O)c1cccc(OCCN2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1 ZINC000422625223 534280265 /nfs/dbraw/zinc/28/02/65/534280265.db2.gz AYQNAANDQOWOAN-LZWOXQAQSA-N 1 3 320.433 2.157 20 0 DEADHO CC(C)(C)[NH2+]CCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000364264273 518757925 /nfs/dbraw/zinc/75/79/25/518757925.db2.gz VMVWOGSKMKDAKH-UHFFFAOYSA-N 1 3 317.477 2.403 20 0 DEADHO O=C(NCC[C@@H]1CCC[NH2+]C1)N1CCC[C@@H]1CN1CCCCC1 ZINC000418342969 534411247 /nfs/dbraw/zinc/41/12/47/534411247.db2.gz JCIITALZHQDMIY-DLBZAZTESA-N 1 3 322.497 2.036 20 0 DEADHO O[C@H](CCc1ccccc1)CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423028715 534426386 /nfs/dbraw/zinc/42/63/86/534426386.db2.gz GYDZHFBEFDHEDZ-FCGDIQPGSA-N 1 3 302.462 2.490 20 0 DEADHO c1ccc(C2(CN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422814440 534481750 /nfs/dbraw/zinc/48/17/50/534481750.db2.gz UUXYTAAWIWKLKF-FGTMMUONSA-N 1 3 300.446 2.465 20 0 DEADHO CCN(CCNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)C1CC1 ZINC000337015213 521064541 /nfs/dbraw/zinc/06/45/41/521064541.db2.gz KUDGRBGNQWRDPM-INIZCTEOSA-N 1 3 322.497 2.034 20 0 DEADHO CCN(CCNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)C1CC1 ZINC000337015213 521064549 /nfs/dbraw/zinc/06/45/49/521064549.db2.gz KUDGRBGNQWRDPM-INIZCTEOSA-N 1 3 322.497 2.034 20 0 DEADHO CCN1CCC(NC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000339519881 521575628 /nfs/dbraw/zinc/57/56/28/521575628.db2.gz VOGJHVGQIOFBFI-MAUKXSAKSA-N 1 3 324.513 2.280 20 0 DEADHO [NH3+]CCC[C@@H](NC(=O)N[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000417685280 534621181 /nfs/dbraw/zinc/62/11/81/534621181.db2.gz ORASLURLVHCQHL-DOTOQJQBSA-N 1 3 316.449 2.003 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCC(C)CC1 ZINC000338265531 524430427 /nfs/dbraw/zinc/43/04/27/524430427.db2.gz SSJRDCLKUNVADP-IXDOHACOSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCC(C)CC1 ZINC000338265531 524430436 /nfs/dbraw/zinc/43/04/36/524430436.db2.gz SSJRDCLKUNVADP-IXDOHACOSA-N 1 3 322.497 2.033 20 0 DEADHO CC(C)(CC[NH3+])NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000422591228 527023137 /nfs/dbraw/zinc/02/31/37/527023137.db2.gz MCTFJONXSGLTLX-UHFFFAOYSA-N 1 3 318.465 2.078 20 0 DEADHO CC(=O)Nc1cccc(OCCN[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422935476 527075338 /nfs/dbraw/zinc/07/53/38/527075338.db2.gz ANBFVTKWGBOIJJ-YOEHRIQHSA-N 1 3 305.422 2.131 20 0 DEADHO CC(=O)Nc1cccc(OCC[NH2+][C@H]2CCCC[C@H]2CN)c1 ZINC000422935476 527075341 /nfs/dbraw/zinc/07/53/41/527075341.db2.gz ANBFVTKWGBOIJJ-YOEHRIQHSA-N 1 3 305.422 2.131 20 0 DEADHO CC(C)(C(=O)NCCC[C@@H]1CCC[NH2+]1)[C@H](N)c1ccccc1 ZINC000417841292 527519313 /nfs/dbraw/zinc/51/93/13/527519313.db2.gz SXXKCTQVZKEVDE-JKSUJKDBSA-N 1 3 303.450 2.361 20 0 DEADHO CCN(C)C(=O)[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)C(C)C ZINC000297417361 527763159 /nfs/dbraw/zinc/76/31/59/527763159.db2.gz LZTKAPXDLBIANQ-KRWDZBQOSA-N 1 3 318.465 2.143 20 0 DEADHO CCCN(CC[NH+](CC)CC)C(=O)NC[C@@H](N)c1ccccc1 ZINC000418422708 528075822 /nfs/dbraw/zinc/07/58/22/528075822.db2.gz DSBMEIFKTVBKDP-QGZVFWFLSA-N 1 3 320.481 2.450 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418403611 528078986 /nfs/dbraw/zinc/07/89/86/528078986.db2.gz BUZQYLKMZILSRP-JKSUJKDBSA-N 1 3 310.486 2.021 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)NCC1([NH3+])CCC1 ZINC000418528377 528082804 /nfs/dbraw/zinc/08/28/04/528082804.db2.gz RNJZGFPWXYRVKS-UHFFFAOYSA-N 1 3 310.486 2.165 20 0 DEADHO CC[NH2+]Cc1cccc(NC(=O)N(C)C[C@@H]2CCCN2C)c1 ZINC000422567039 528339478 /nfs/dbraw/zinc/33/94/78/528339478.db2.gz VPOWORQLXVLIMZ-INIZCTEOSA-N 1 3 304.438 2.354 20 0 DEADHO CC(C)[C@@H](C[NH2+][C@@H](C)C[C@H]1COCCN1)N1CCC(C)CC1 ZINC000422850913 528463386 /nfs/dbraw/zinc/46/33/86/528463386.db2.gz WGTZBICPDHJTKW-OKZBNKHCSA-N 1 3 311.514 2.100 20 0 DEADHO CC(C)[C@@H](CN[C@@H](C)C[C@H]1COCCN1)[NH+]1CCC(C)CC1 ZINC000422850913 528463391 /nfs/dbraw/zinc/46/33/91/528463391.db2.gz WGTZBICPDHJTKW-OKZBNKHCSA-N 1 3 311.514 2.100 20 0 DEADHO CCN(CCN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])c1ccccc1C ZINC000422888049 528515470 /nfs/dbraw/zinc/51/54/70/528515470.db2.gz ZWXJJNVWSLDICE-BRWVUGGUSA-N 1 3 305.466 2.163 20 0 DEADHO CCC([NH3+])(CC)CNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000417592853 528935235 /nfs/dbraw/zinc/93/52/35/528935235.db2.gz UMJZPMYZPRIFHF-OAHLLOKOSA-N 1 3 320.481 2.324 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000417583980 529010188 /nfs/dbraw/zinc/01/01/88/529010188.db2.gz LRZSDGHDMOIKDO-KRWDZBQOSA-N 1 3 318.465 2.031 20 0 DEADHO CC(C)[C@H]([NH3+])CNC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418405512 529064380 /nfs/dbraw/zinc/06/43/80/529064380.db2.gz LFBJYDNKKCYPTJ-IAGOWNOFSA-N 1 3 314.433 2.122 20 0 DEADHO CCS(=O)(=O)c1cccc(C[NH2+][C@H]2CCCC[C@H]2CN)c1 ZINC000423101654 529169862 /nfs/dbraw/zinc/16/98/62/529169862.db2.gz NTRRQYZFAGMDKI-HOCLYGCPSA-N 1 3 310.463 2.087 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000417708415 529200892 /nfs/dbraw/zinc/20/08/92/529200892.db2.gz VUEUQOAQXIVJQG-HOTGVXAUSA-N 1 3 310.486 2.021 20 0 DEADHO CC[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])Oc1ccccc1C ZINC000422918390 529369394 /nfs/dbraw/zinc/36/93/94/529369394.db2.gz HJAMHFNLDJZUDL-QBPKDAKJSA-N 1 3 306.450 2.494 20 0 DEADHO CCCN1CCN(c2ccccc2CN2CCC[C@@H]([NH3+])C2)CC1 ZINC000346072588 534933927 /nfs/dbraw/zinc/93/39/27/534933927.db2.gz LNFIPOOWQBYSBE-GOSISDBHSA-N 1 3 316.493 2.142 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000358145799 535242508 /nfs/dbraw/zinc/24/25/08/535242508.db2.gz TWCYPQPPJVTGPP-DOTOQJQBSA-N 1 3 324.513 2.423 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000358145799 535242511 /nfs/dbraw/zinc/24/25/11/535242511.db2.gz TWCYPQPPJVTGPP-DOTOQJQBSA-N 1 3 324.513 2.423 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000357980827 535243689 /nfs/dbraw/zinc/24/36/89/535243689.db2.gz FVALRKONVLTBGF-HOTGVXAUSA-N 1 3 312.502 2.280 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000357980827 535243695 /nfs/dbraw/zinc/24/36/95/535243695.db2.gz FVALRKONVLTBGF-HOTGVXAUSA-N 1 3 312.502 2.280 20 0 DEADHO CC1CC[NH+](CCCNC(=O)[C@H](CN)c2ccc(F)cc2)CC1 ZINC000358867661 535279757 /nfs/dbraw/zinc/27/97/57/535279757.db2.gz UGRVEPXQBGNVAX-QGZVFWFLSA-N 1 3 321.440 2.106 20 0 DEADHO CC[NH+]1CCC(NC[C@H](Cc2ccccc2Cl)C(N)=O)CC1 ZINC000360199863 535473509 /nfs/dbraw/zinc/47/35/09/535473509.db2.gz SNPWSZFLOXSTLU-AWEZNQCLSA-N 1 3 323.868 2.058 20 0 DEADHO CCN1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000449818350 535533996 /nfs/dbraw/zinc/53/39/96/535533996.db2.gz DRCCWCNGIIVAPB-NVXWUHKLSA-N 1 3 307.482 2.384 20 0 DEADHO CCN1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000449818350 535534001 /nfs/dbraw/zinc/53/40/01/535534001.db2.gz DRCCWCNGIIVAPB-NVXWUHKLSA-N 1 3 307.482 2.384 20 0 DEADHO CCN(C(=O)/C=C\C[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000492622282 535656223 /nfs/dbraw/zinc/65/62/23/535656223.db2.gz JDNMOIHHLYSGEN-YFWYWMRJSA-N 1 3 315.461 2.227 20 0 DEADHO CCOC[C@@H](O)CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449160614 535675915 /nfs/dbraw/zinc/67/59/15/535675915.db2.gz CBJBHHQWWDOMFX-APWZRJJASA-N 1 3 320.477 2.069 20 0 DEADHO CN1CC[C@]2(CCN(C(=O)NCCCCCCC[NH+](C)C)C2)C1 ZINC000368303511 535825932 /nfs/dbraw/zinc/82/59/32/535825932.db2.gz FREMWMNJQGYQON-SFHVURJKSA-N 1 3 324.513 2.236 20 0 DEADHO CN(C)Cc1ccccc1CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000262396857 536046582 /nfs/dbraw/zinc/04/65/82/536046582.db2.gz BZOZAVYYDHVQQW-PBHICJAKSA-N 1 3 303.450 2.272 20 0 DEADHO CCc1nc(CN2CCN(CCC3CC[NH2+]CC3)CC2)cs1 ZINC000359222883 536135526 /nfs/dbraw/zinc/13/55/26/536135526.db2.gz QWOORAIEHREIFK-UHFFFAOYSA-N 1 3 322.522 2.213 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CC1CC1)C1CC1 ZINC001379015001 1152532003 /nfs/dbraw/zinc/53/20/03/1152532003.db2.gz OJOAWDKPPAESOS-DLBZAZTESA-N 1 3 307.482 2.096 20 0 DEADHO CC1CCN(CC[C@H]2CCC[N@@H+]2CC[C@@H]2CCNC2=O)CC1 ZINC001414031365 1152532502 /nfs/dbraw/zinc/53/25/02/1152532502.db2.gz BFTYSHYUDUBEHU-DLBZAZTESA-N 1 3 307.482 2.099 20 0 DEADHO CC1CCN(CC[C@H]2CCC[N@H+]2CC[C@@H]2CCNC2=O)CC1 ZINC001414031365 1152532508 /nfs/dbraw/zinc/53/25/08/1152532508.db2.gz BFTYSHYUDUBEHU-DLBZAZTESA-N 1 3 307.482 2.099 20 0 DEADHO CN(C)C1(C(=O)N(C)CC[N@H+](C)CCc2cccs2)CCC1 ZINC001379055254 1152549879 /nfs/dbraw/zinc/54/98/79/1152549879.db2.gz ZSPSMIVSRUAHRQ-UHFFFAOYSA-N 1 3 323.506 2.165 20 0 DEADHO CN(C)C1(C(=O)N(C)CC[N@@H+](C)CCc2cccs2)CCC1 ZINC001379055254 1152549881 /nfs/dbraw/zinc/54/98/81/1152549881.db2.gz ZSPSMIVSRUAHRQ-UHFFFAOYSA-N 1 3 323.506 2.165 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC001379321739 1152608268 /nfs/dbraw/zinc/60/82/68/1152608268.db2.gz JENFGNVYVVMYHX-MAUKXSAKSA-N 1 3 317.477 2.451 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001379327706 1152609388 /nfs/dbraw/zinc/60/93/88/1152609388.db2.gz LAOJMAFAVWEMQK-OAHLLOKOSA-N 1 3 323.456 2.433 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CCC1CC1)N(C)C ZINC001368811661 1148681568 /nfs/dbraw/zinc/68/15/68/1148681568.db2.gz DWGAJIVXTUZPID-IAGOWNOFSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CCC1CC1)N(C)C ZINC001368811661 1148681574 /nfs/dbraw/zinc/68/15/74/1148681574.db2.gz DWGAJIVXTUZPID-IAGOWNOFSA-N 1 3 309.498 2.296 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CCC3)[C@@H]2C1 ZINC001379629098 1152658036 /nfs/dbraw/zinc/65/80/36/1152658036.db2.gz SHWYVFSVLREPHZ-RCCFBDPRSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820404345 607089007 /nfs/dbraw/zinc/08/90/07/607089007.db2.gz SQTKEHLEWPKNOE-CHWSQXEVSA-N 1 3 314.437 2.248 20 0 DEADHO C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820404345 607089008 /nfs/dbraw/zinc/08/90/08/607089008.db2.gz SQTKEHLEWPKNOE-CHWSQXEVSA-N 1 3 314.437 2.248 20 0 DEADHO CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001008053524 625317862 /nfs/dbraw/zinc/31/78/62/625317862.db2.gz VJBIRNPDMHIEBI-IRXDYDNUSA-N 1 3 307.482 2.242 20 0 DEADHO CCCC[N@H+]1CCC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001008053524 625317868 /nfs/dbraw/zinc/31/78/68/625317868.db2.gz VJBIRNPDMHIEBI-IRXDYDNUSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)(C)S(=O)(=O)CCN[C@H](CCC[NH3+])c1ccccc1 ZINC000925600927 625437397 /nfs/dbraw/zinc/43/73/97/625437397.db2.gz XUGKZWVFRTTXNU-OAHLLOKOSA-N 1 3 312.479 2.270 20 0 DEADHO CC(C)(C(=O)N1CCC[C@@H](C[NH2+]CC2CC2)C1)N1CCCCC1 ZINC001023986926 625518188 /nfs/dbraw/zinc/51/81/88/625518188.db2.gz NMCYKKKLZXRZDW-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CC1CC(C[NH2+]C[C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001024016756 625543321 /nfs/dbraw/zinc/54/33/21/625543321.db2.gz NOGLWANCNPNESL-CGZBRXJRSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)c1cccc(F)c1 ZINC000969588382 622830941 /nfs/dbraw/zinc/83/09/41/622830941.db2.gz JFTKOEKGXSKXFK-IAOVAPTHSA-N 1 3 319.424 2.171 20 0 DEADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccsc3)C2)C1 ZINC001020591009 622928655 /nfs/dbraw/zinc/92/86/55/622928655.db2.gz AVEFLWSNYVTJOH-SHTZXODSSA-N 1 3 321.490 2.217 20 0 DEADHO CC1CC(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001020592015 622930795 /nfs/dbraw/zinc/93/07/95/622930795.db2.gz YJOSDFYHCZRJGT-QJKUTOJQSA-N 1 3 307.482 2.001 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CC2CCCCC2)C1)N(C)C ZINC000969844842 622949196 /nfs/dbraw/zinc/94/91/96/622949196.db2.gz RQCGIMPJISYBOK-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC000969948344 623013294 /nfs/dbraw/zinc/01/32/94/623013294.db2.gz KEVFNMWOSPFLLW-FUHWJXTLSA-N 1 3 315.461 2.170 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C1)N(C)C ZINC000969985426 623037806 /nfs/dbraw/zinc/03/78/06/623037806.db2.gz HOBAVPCLUZHIBH-XYPHTWIQSA-N 1 3 321.440 2.417 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)C1)N(C)C ZINC000969985957 623039440 /nfs/dbraw/zinc/03/94/40/623039440.db2.gz PFCHWEJOBDILFS-MSOLQXFVSA-N 1 3 317.477 2.334 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CC3=CCCCC3)C2)CC1 ZINC000970334314 623408301 /nfs/dbraw/zinc/40/83/01/623408301.db2.gz GUUFGUPBDYKJKL-GOSISDBHSA-N 1 3 319.493 2.409 20 0 DEADHO CC(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC000970530222 623523636 /nfs/dbraw/zinc/52/36/36/623523636.db2.gz WXDAIGNMDREKCO-DOTOQJQBSA-N 1 3 309.498 2.342 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001024178845 625658098 /nfs/dbraw/zinc/65/80/98/625658098.db2.gz GBJCPCVUVFQKNH-MRXNPFEDSA-N 1 3 316.449 2.281 20 0 DEADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)c1ccccc1 ZINC000970718416 623639893 /nfs/dbraw/zinc/63/98/93/623639893.db2.gz UNYSIMMQZNRFEV-DOTOQJQBSA-N 1 3 301.434 2.034 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC000970799680 623687196 /nfs/dbraw/zinc/68/71/96/623687196.db2.gz GOVXTTRHLOZTNO-HZPDHXFCSA-N 1 3 321.490 2.313 20 0 DEADHO CC[NH2+]C[C@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001024279115 625686418 /nfs/dbraw/zinc/68/64/18/625686418.db2.gz YFBHMCNUGIMRIH-OAHLLOKOSA-N 1 3 303.450 2.210 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001024278138 625685737 /nfs/dbraw/zinc/68/57/37/625685737.db2.gz DLPVAUUFFNDGLZ-ROUUACIJSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021670602 623931091 /nfs/dbraw/zinc/93/10/91/623931091.db2.gz MWQXYLJBCTWMRZ-DLBZAZTESA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021670602 623931092 /nfs/dbraw/zinc/93/10/92/623931092.db2.gz MWQXYLJBCTWMRZ-DLBZAZTESA-N 1 3 321.509 2.440 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021679535 623947070 /nfs/dbraw/zinc/94/70/70/623947070.db2.gz OWDHEYCYTVZCGR-GDBMZVCRSA-N 1 3 304.438 2.065 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021679535 623947073 /nfs/dbraw/zinc/94/70/73/623947073.db2.gz OWDHEYCYTVZCGR-GDBMZVCRSA-N 1 3 304.438 2.065 20 0 DEADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1 ZINC000971204803 624070110 /nfs/dbraw/zinc/07/01/10/624070110.db2.gz OTMJGWRFJYJZLQ-ZWKOTPCHSA-N 1 3 315.461 2.122 20 0 DEADHO Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1 ZINC000971204803 624070114 /nfs/dbraw/zinc/07/01/14/624070114.db2.gz OTMJGWRFJYJZLQ-ZWKOTPCHSA-N 1 3 315.461 2.122 20 0 DEADHO CC[NH+](CC)CCOCCN[C@@H](C)c1cccc2c1OCO2 ZINC000926150354 624141448 /nfs/dbraw/zinc/14/14/48/624141448.db2.gz KJFHIEZZGQYXFV-AWEZNQCLSA-N 1 3 308.422 2.424 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001026734624 625703629 /nfs/dbraw/zinc/70/36/29/625703629.db2.gz QTNJLTADHLZQKY-DOTOQJQBSA-N 1 3 319.493 2.099 20 0 DEADHO COCCCC1(CN2CCN(CC[NH+]3CCCC3)CC2)CCC1 ZINC000891505069 624461867 /nfs/dbraw/zinc/46/18/67/624461867.db2.gz FUTCJJVOQLAMHB-UHFFFAOYSA-N 1 3 323.525 2.297 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CC2CCCCC2)C1)N(C)C ZINC000971779787 624546240 /nfs/dbraw/zinc/54/62/40/624546240.db2.gz TUKORGZEYBBTOE-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC2CCCCC2)C1)N(C)C ZINC000971779787 624546245 /nfs/dbraw/zinc/54/62/45/624546245.db2.gz TUKORGZEYBBTOE-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000892144245 624795550 /nfs/dbraw/zinc/79/55/50/624795550.db2.gz SYOQBQGRBZGKCA-BFYDXBDKSA-N 1 3 318.465 2.076 20 0 DEADHO CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972334201 624932480 /nfs/dbraw/zinc/93/24/80/624932480.db2.gz FUJPEHGLAKKBKQ-RHSMWYFYSA-N 1 3 313.461 2.142 20 0 DEADHO CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972334201 624932482 /nfs/dbraw/zinc/93/24/82/624932482.db2.gz FUJPEHGLAKKBKQ-RHSMWYFYSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CC3CCCC3)C2)C1 ZINC000972336481 624933704 /nfs/dbraw/zinc/93/37/04/624933704.db2.gz XQBJKULEHOCSKH-DOTOQJQBSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CC3CCCC3)C2)C1 ZINC000972336481 624933706 /nfs/dbraw/zinc/93/37/06/624933706.db2.gz XQBJKULEHOCSKH-DOTOQJQBSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCC2CCCC2)C1)N(C)C ZINC000972355369 624939339 /nfs/dbraw/zinc/93/93/39/624939339.db2.gz UZEPRKAVEZCHHV-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCC2CCCC2)C1)N(C)C ZINC000972355369 624939343 /nfs/dbraw/zinc/93/93/43/624939343.db2.gz UZEPRKAVEZCHHV-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCCCCC1 ZINC001026088674 625130323 /nfs/dbraw/zinc/13/03/23/625130323.db2.gz NHZFQYUUNMPAEU-IGKNDFSCSA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCCCCC1 ZINC001026088674 625130325 /nfs/dbraw/zinc/13/03/25/625130325.db2.gz NHZFQYUUNMPAEU-IGKNDFSCSA-N 1 3 321.509 2.343 20 0 DEADHO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]C[C@H]2CCCCN(C)C2)cn1 ZINC000926752530 625154618 /nfs/dbraw/zinc/15/46/18/625154618.db2.gz AINHTAPLENRGBR-NXHRZFHOSA-N 1 3 304.482 2.453 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1 ZINC001023125075 625163704 /nfs/dbraw/zinc/16/37/04/625163704.db2.gz MSSBWDLPRVYMMV-SRABZTEZSA-N 1 3 307.482 2.286 20 0 DEADHO C(C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1)COC[C@@H]1CCCO1 ZINC000925522481 625187163 /nfs/dbraw/zinc/18/71/63/625187163.db2.gz ZWERWIMWZZUWJM-OKZBNKHCSA-N 1 3 310.482 2.330 20 0 DEADHO N[C@H](CC1CC1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309923673 625257032 /nfs/dbraw/zinc/25/70/32/625257032.db2.gz WSXPEEQLEXPDBE-QZTJIDSGSA-N 1 3 315.461 2.142 20 0 DEADHO N[C@H](CC1CC1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309923673 625257038 /nfs/dbraw/zinc/25/70/38/625257038.db2.gz WSXPEEQLEXPDBE-QZTJIDSGSA-N 1 3 315.461 2.142 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001024437499 625774304 /nfs/dbraw/zinc/77/43/04/625774304.db2.gz SIGSMAZZEBKLLM-SJORKVTESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001024437499 625774312 /nfs/dbraw/zinc/77/43/12/625774312.db2.gz SIGSMAZZEBKLLM-SJORKVTESA-N 1 3 309.498 2.486 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC(C)C)C1 ZINC001027695250 634450629 /nfs/dbraw/zinc/45/06/29/634450629.db2.gz PFXZDSXSOJMFOM-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC(C)C)C1 ZINC001027695250 634450633 /nfs/dbraw/zinc/45/06/33/634450633.db2.gz PFXZDSXSOJMFOM-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC1 ZINC001024470481 625799344 /nfs/dbraw/zinc/79/93/44/625799344.db2.gz ZWOMOZAFTKMBPJ-IRXDYDNUSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CC1 ZINC001024470481 625799351 /nfs/dbraw/zinc/79/93/51/625799351.db2.gz ZWOMOZAFTKMBPJ-IRXDYDNUSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CC1 ZINC001024523385 625838031 /nfs/dbraw/zinc/83/80/31/625838031.db2.gz PXJLSWFCVBLQTG-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CC1 ZINC001024523385 625838033 /nfs/dbraw/zinc/83/80/33/625838033.db2.gz PXJLSWFCVBLQTG-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC3CCC3)C[C@H]2CC1 ZINC000946517188 634479203 /nfs/dbraw/zinc/47/92/03/634479203.db2.gz AZOOQVGJUZHVFT-KSZLIROESA-N 1 3 319.493 2.051 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC3CCC3)C[C@H]2CC1 ZINC000946517188 634479207 /nfs/dbraw/zinc/47/92/07/634479207.db2.gz AZOOQVGJUZHVFT-KSZLIROESA-N 1 3 319.493 2.051 20 0 DEADHO CN(C)[C@H](C(=O)N1C[C@@H]([NH2+]CC2CCCC2)C(C)(C)C1)C1CC1 ZINC000995892923 633134212 /nfs/dbraw/zinc/13/42/12/633134212.db2.gz GLZBRZHJPQFJGF-SJORKVTESA-N 1 3 321.509 2.343 20 0 DEADHO CN(C)C1(C(=O)N2C[C@H]([NH2+]CC3CCC3)C(C)(C)C2)CCC1 ZINC000995883581 633137358 /nfs/dbraw/zinc/13/73/58/633137358.db2.gz CMLGSUZMASNQPQ-HNNXBMFYSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(C)cc2)C1)N(C)C ZINC001026916886 633262967 /nfs/dbraw/zinc/26/29/67/633262967.db2.gz QMIJPCRAEWHDCZ-QZTJIDSGSA-N 1 3 317.477 2.273 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC2CCCCC2)C1)N(C)C ZINC001027070381 633419735 /nfs/dbraw/zinc/41/97/35/633419735.db2.gz PWQWHZSDPGWPBK-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001027217317 633500718 /nfs/dbraw/zinc/50/07/18/633500718.db2.gz IGAYDSPGDZMOSN-QGZVFWFLSA-N 1 3 307.482 2.101 20 0 DEADHO CC(=O)OC[C@H](C)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000893411808 633513530 /nfs/dbraw/zinc/51/35/30/633513530.db2.gz IJCNOVOXXGCDFZ-MPGHIAIKSA-N 1 3 304.434 2.438 20 0 DEADHO CC(=O)OC[C@H](C)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000893411808 633513532 /nfs/dbraw/zinc/51/35/32/633513532.db2.gz IJCNOVOXXGCDFZ-MPGHIAIKSA-N 1 3 304.434 2.438 20 0 DEADHO CC1(C)CCN(CC(=O)N2CCC([NH2+]CC3CCC3)CC2)C1 ZINC000997001490 633558552 /nfs/dbraw/zinc/55/85/52/633558552.db2.gz UPVXAIGXQVTDLT-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO O=C(CN1CCCC1)N1CCC([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000997303291 633703775 /nfs/dbraw/zinc/70/37/75/633703775.db2.gz SPWPGEKDWYYCDO-ZACQAIPSSA-N 1 3 319.493 2.099 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CC2CCCC2)CC1 ZINC000997612000 633899389 /nfs/dbraw/zinc/89/93/89/633899389.db2.gz IQZSLHODKOUFSM-QGZVFWFLSA-N 1 3 307.482 2.099 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](C(C)C)CC1 ZINC000997611789 633899588 /nfs/dbraw/zinc/89/95/88/633899588.db2.gz AWDSURQOJVWPNN-DOTOQJQBSA-N 1 3 309.498 2.486 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](C(C)C)CC1 ZINC000997611790 633899935 /nfs/dbraw/zinc/89/99/35/633899935.db2.gz AWDSURQOJVWPNN-RDJZCZTQSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@H](C(=O)N1CCC(C[NH2+]CC2CCCC2)CC1)N(C)C ZINC000997856341 634010685 /nfs/dbraw/zinc/01/06/85/634010685.db2.gz UJNLMSBJOMDAKV-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO C([NH2+][C@@H]1CCNC[C@H]1C1CCCC1)[C@H]1CC2(CO1)CCOCC2 ZINC000925735519 634253748 /nfs/dbraw/zinc/25/37/48/634253748.db2.gz VFZVXTSFFJEYGY-FGTMMUONSA-N 1 3 322.493 2.330 20 0 DEADHO C(N[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@H]1CC2(CO1)CCOCC2 ZINC000925735519 634253752 /nfs/dbraw/zinc/25/37/52/634253752.db2.gz VFZVXTSFFJEYGY-FGTMMUONSA-N 1 3 322.493 2.330 20 0 DEADHO C[C@H](NCCC(C)(C)[NH3+])[C@@H](c1ccccc1)N1CCOCC1 ZINC000925740044 634332478 /nfs/dbraw/zinc/33/24/78/634332478.db2.gz GNSICPMGTLBZGJ-RDJZCZTQSA-N 1 3 305.466 2.165 20 0 DEADHO CC(C)=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001027879461 634849682 /nfs/dbraw/zinc/84/96/82/634849682.db2.gz SJQHIAVOZXNWBT-IAGOWNOFSA-N 1 3 307.482 2.406 20 0 DEADHO CC(C)=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001027879461 634849685 /nfs/dbraw/zinc/84/96/85/634849685.db2.gz SJQHIAVOZXNWBT-IAGOWNOFSA-N 1 3 307.482 2.406 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC(C)C ZINC001027918814 634964813 /nfs/dbraw/zinc/96/48/13/634964813.db2.gz QINOHSVTKACGRG-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC(C)C ZINC001027918814 634964815 /nfs/dbraw/zinc/96/48/15/634964815.db2.gz QINOHSVTKACGRG-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC1CCC(C[NH2+][C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001000314554 635143285 /nfs/dbraw/zinc/14/32/85/635143285.db2.gz YMFAOMXUQNRQES-UYSNPLJNSA-N 1 3 318.465 2.359 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H](NCCF)C1)[NH+]1CCCCC1 ZINC001001009784 635378806 /nfs/dbraw/zinc/37/88/06/635378806.db2.gz QPJMEDAVCWUVRJ-JKSUJKDBSA-N 1 3 313.461 2.047 20 0 DEADHO CCCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001001473105 635504677 /nfs/dbraw/zinc/50/46/77/635504677.db2.gz WSMFNDHDGXSSCI-KRWDZBQOSA-N 1 3 307.482 2.409 20 0 DEADHO CCCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001001473105 635504681 /nfs/dbraw/zinc/50/46/81/635504681.db2.gz WSMFNDHDGXSSCI-KRWDZBQOSA-N 1 3 307.482 2.409 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC)cc1F ZINC001001519677 635521715 /nfs/dbraw/zinc/52/17/15/635521715.db2.gz MDVFXGVUROIUAG-KRWDZBQOSA-N 1 3 321.440 2.426 20 0 DEADHO CC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000981540795 635523104 /nfs/dbraw/zinc/52/31/04/635523104.db2.gz GUXINENFLVAOGJ-HOTGVXAUSA-N 1 3 303.450 2.399 20 0 DEADHO CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000981540797 635523113 /nfs/dbraw/zinc/52/31/13/635523113.db2.gz GUXINENFLVAOGJ-JKSUJKDBSA-N 1 3 303.450 2.399 20 0 DEADHO CC(C)CC[N@@H+]1CCCN(C(=O)C(C)(C)N2CCCC2)CC1 ZINC000981743190 635624063 /nfs/dbraw/zinc/62/40/63/635624063.db2.gz QMFXOALLJISASV-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)CC[N@H+]1CCCN(C(=O)C(C)(C)N2CCCC2)CC1 ZINC000981743190 635624067 /nfs/dbraw/zinc/62/40/67/635624067.db2.gz QMFXOALLJISASV-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000921879660 635663709 /nfs/dbraw/zinc/66/37/09/635663709.db2.gz RDCMCXWALCTPIA-KLZNWCGWSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000921879660 635663714 /nfs/dbraw/zinc/66/37/14/635663714.db2.gz RDCMCXWALCTPIA-KLZNWCGWSA-N 1 3 322.497 2.031 20 0 DEADHO CC(C)=CC[NH+]1CCC(NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001002790929 635798277 /nfs/dbraw/zinc/79/82/77/635798277.db2.gz CEGSZOWVSUJJLZ-QGZVFWFLSA-N 1 3 307.482 2.406 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC1CC[NH+](CCC2CC2)CC1 ZINC001002956056 635860027 /nfs/dbraw/zinc/86/00/27/635860027.db2.gz OWKXMPDOMFWZLE-KRWDZBQOSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C)[C@@H](CC[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C)C(F)(F)F ZINC000925837042 635872780 /nfs/dbraw/zinc/87/27/80/635872780.db2.gz MZDLZWCSBADZEE-MROQNXINSA-N 1 3 307.404 2.235 20 0 DEADHO CN(C)[C@@H](CCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C(F)(F)F ZINC000925837042 635872783 /nfs/dbraw/zinc/87/27/83/635872783.db2.gz MZDLZWCSBADZEE-MROQNXINSA-N 1 3 307.404 2.235 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](C(C)C)C2 ZINC000982163823 635890541 /nfs/dbraw/zinc/89/05/41/635890541.db2.gz WDDYPRIOUFLVQF-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](C(C)C)C2 ZINC000982163823 635890545 /nfs/dbraw/zinc/89/05/45/635890545.db2.gz WDDYPRIOUFLVQF-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1ccc(Cl)nc1)C2 ZINC000922389490 636146546 /nfs/dbraw/zinc/14/65/46/636146546.db2.gz WROUEZQCXIYVPZ-JHNDHUHGSA-N 1 3 323.868 2.304 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1ccc(Cl)nc1)C2 ZINC000922389490 636146571 /nfs/dbraw/zinc/14/65/71/636146571.db2.gz WROUEZQCXIYVPZ-JHNDHUHGSA-N 1 3 323.868 2.304 20 0 DEADHO CC(C)=CC[NH+]1CCC(NC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001004201938 636220443 /nfs/dbraw/zinc/22/04/43/636220443.db2.gz BLMRUOXMBIFDBL-HOTGVXAUSA-N 1 3 307.482 2.406 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001028579894 636373325 /nfs/dbraw/zinc/37/33/25/636373325.db2.gz KXBJPIMDDMGRFO-IAGOWNOFSA-N 1 3 307.482 2.099 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001028579894 636373328 /nfs/dbraw/zinc/37/33/28/636373328.db2.gz KXBJPIMDDMGRFO-IAGOWNOFSA-N 1 3 307.482 2.099 20 0 DEADHO CCO[C@H](C[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C)CN(C)C ZINC000922757650 636381217 /nfs/dbraw/zinc/38/12/17/636381217.db2.gz IVAGPAHWIBWNLO-QRQLOZEOSA-N 1 3 319.493 2.063 20 0 DEADHO CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982832476 636495915 /nfs/dbraw/zinc/49/59/15/636495915.db2.gz ZXSBEIDQNNOXQN-UOVPBQLFSA-N 1 3 307.482 2.050 20 0 DEADHO CC[N@H+]1C[C@@]2(C)CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982832476 636495918 /nfs/dbraw/zinc/49/59/18/636495918.db2.gz ZXSBEIDQNNOXQN-UOVPBQLFSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[N@@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982831134 636496093 /nfs/dbraw/zinc/49/60/93/636496093.db2.gz HJTYYUDSTSQLSN-AMBYYYRHSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)[N@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982831134 636496094 /nfs/dbraw/zinc/49/60/94/636496094.db2.gz HJTYYUDSTSQLSN-AMBYYYRHSA-N 1 3 321.509 2.438 20 0 DEADHO COc1ccc2nccc(N3C[C@@H](C)[N@H+](CCO)C[C@@H]3C)c2c1 ZINC000894232492 636511930 /nfs/dbraw/zinc/51/19/30/636511930.db2.gz DITHCZAOHCZOJH-KGLIPLIRSA-N 1 3 315.417 2.135 20 0 DEADHO COc1ccc2nccc(N3C[C@@H](C)[N@@H+](CCO)C[C@@H]3C)c2c1 ZINC000894232492 636511936 /nfs/dbraw/zinc/51/19/36/636511936.db2.gz DITHCZAOHCZOJH-KGLIPLIRSA-N 1 3 315.417 2.135 20 0 DEADHO CN1CCN(CC[NH2+]C[C@@H]2CCc3ccccc32)CC1(C)C ZINC000894253497 636574054 /nfs/dbraw/zinc/57/40/54/636574054.db2.gz KIMPHOCDHUFMPN-KRWDZBQOSA-N 1 3 301.478 2.332 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCC)C1 ZINC001028918558 636852276 /nfs/dbraw/zinc/85/22/76/636852276.db2.gz IMVYBFMRWPDQQY-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCC)C1 ZINC001028918558 636852280 /nfs/dbraw/zinc/85/22/80/636852280.db2.gz IMVYBFMRWPDQQY-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO CN(CCOc1ccccc1Cl)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923302582 637101544 /nfs/dbraw/zinc/10/15/44/637101544.db2.gz WWKOTXLPQSEEPD-ZDUSSCGKSA-N 1 3 310.825 2.029 20 0 DEADHO Cc1nc2c(s1)[C@H](N(C)C[C@H]1CC3(C[NH2+]C3)CO1)CCC2 ZINC000923325936 637118243 /nfs/dbraw/zinc/11/82/43/637118243.db2.gz WRAAHHPDLAYDCL-TZMCWYRMSA-N 1 3 307.463 2.139 20 0 DEADHO CCOC[C@H](O)CN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000923341485 637128587 /nfs/dbraw/zinc/12/85/87/637128587.db2.gz KUZVCOZQKZJLGN-HZPDHXFCSA-N 1 3 324.490 2.090 20 0 DEADHO Cc1cc(C)cc(OC[C@H](O)CN2CCCC[C@@H]2CC[NH3+])c1 ZINC000923354128 637135086 /nfs/dbraw/zinc/13/50/86/637135086.db2.gz QNSUQNFOHSRRIK-IAGOWNOFSA-N 1 3 306.450 2.246 20 0 DEADHO CCCOc1ccc2c(c1)CCN(C[C@@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000923373529 637144636 /nfs/dbraw/zinc/14/46/36/637144636.db2.gz OIFQUGOYBMNMCN-SFHVURJKSA-N 1 3 316.445 2.212 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H]2CCCC[C@H]2N)c1C ZINC000923380693 637148305 /nfs/dbraw/zinc/14/83/05/637148305.db2.gz BWJBLGAISKIVKJ-BRWVUGGUSA-N 1 3 306.450 2.211 20 0 DEADHO Cc1cccc(OC[C@H](O)CN2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000923385507 637154231 /nfs/dbraw/zinc/15/42/31/637154231.db2.gz CGEHMMDONPBDAX-JFIYKMOQSA-N 1 3 306.450 2.184 20 0 DEADHO CSc1cccc(NC(=O)[C@H](C)N2CC[C@H](CC[NH3+])C2)c1 ZINC000923486937 637201186 /nfs/dbraw/zinc/20/11/86/637201186.db2.gz VTWXFKGIXSCUAK-STQMWFEESA-N 1 3 307.463 2.406 20 0 DEADHO C[C@H](C(=O)NC(C)(C)C)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923503864 637218616 /nfs/dbraw/zinc/21/86/16/637218616.db2.gz PYLLLSVPBVFIPL-CABCVRRESA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)N(Cc1ccccc1)C(=O)CN1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923503504 637224189 /nfs/dbraw/zinc/22/41/89/637224189.db2.gz JKQAHMNSGQSQGT-AEFFLSMTSA-N 1 3 317.477 2.340 20 0 DEADHO O[C@@H](Cc1ccc2ccccc2c1)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516321 637225408 /nfs/dbraw/zinc/22/54/08/637225408.db2.gz YVQKDQBGTLZGRP-ZCNNSNEGSA-N 1 3 310.441 2.285 20 0 DEADHO Cc1ncoc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000895251276 637850848 /nfs/dbraw/zinc/85/08/48/637850848.db2.gz HYRFTWXYKWSRGA-UHFFFAOYSA-N 1 3 300.406 2.380 20 0 DEADHO CN(C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCCN(C)C1 ZINC000895804903 638207324 /nfs/dbraw/zinc/20/73/24/638207324.db2.gz NSSYEKBADDWKTD-WBVHZDCISA-N 1 3 322.497 2.129 20 0 DEADHO CN(C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCCN(C)C1 ZINC000895804903 638207329 /nfs/dbraw/zinc/20/73/29/638207329.db2.gz NSSYEKBADDWKTD-WBVHZDCISA-N 1 3 322.497 2.129 20 0 DEADHO CCC1(N2CCC2)CC[NH+](C[C@@H](OC)C2CCOCC2)CC1 ZINC000895822116 638216958 /nfs/dbraw/zinc/21/69/58/638216958.db2.gz JWVLABILWVOHII-QGZVFWFLSA-N 1 3 310.482 2.378 20 0 DEADHO C[NH+]1CCC(CNCC(=O)Nc2cccc3cccnc32)CC1 ZINC000895960613 638280734 /nfs/dbraw/zinc/28/07/34/638280734.db2.gz GKQRXDCZZOQAGL-UHFFFAOYSA-N 1 3 312.417 2.105 20 0 DEADHO CCC[NH2+]CCN[C@@H]1CCC[C@@H](C(F)(F)C(=O)OCC)C1 ZINC000841046844 650413553 /nfs/dbraw/zinc/41/35/53/650413553.db2.gz PDVRAHHEIRCBLD-CHWSQXEVSA-N 1 3 306.397 2.333 20 0 DEADHO C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)CCN1 ZINC000841060993 650417702 /nfs/dbraw/zinc/41/77/02/650417702.db2.gz CYUKVLHGZZOSGH-DOTOQJQBSA-N 1 3 316.493 2.452 20 0 DEADHO C[C@H]1CC[NH2+]C[C@H]1NC1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000841059032 650417706 /nfs/dbraw/zinc/41/77/06/650417706.db2.gz JVQKAXSNTSOXJK-HNAYVOBHSA-N 1 3 316.493 2.309 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]CCCNC2CC2)C1 ZINC000841091464 650428906 /nfs/dbraw/zinc/42/89/06/650428906.db2.gz YHPRRINTWLFAKA-OCCSQVGLSA-N 1 3 318.408 2.475 20 0 DEADHO CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]CCCNC2CC2)C1 ZINC000841091462 650428572 /nfs/dbraw/zinc/42/85/72/650428572.db2.gz YHPRRINTWLFAKA-GXTWGEPZSA-N 1 3 318.408 2.475 20 0 DEADHO C[N@H+](C[C@@H]1CCN(C(=O)CN2CCCC2)C1)CC1CCCCC1 ZINC001029903583 639753613 /nfs/dbraw/zinc/75/36/13/639753613.db2.gz ATMIFMSFYZCMRR-SFHVURJKSA-N 1 3 321.509 2.443 20 0 DEADHO C[N@@H+](C[C@@H]1CCN(C(=O)CN2CCCC2)C1)CC1CCCCC1 ZINC001029903583 639753614 /nfs/dbraw/zinc/75/36/14/639753614.db2.gz ATMIFMSFYZCMRR-SFHVURJKSA-N 1 3 321.509 2.443 20 0 DEADHO C[C@H]1[C@H]([NH2+]CC2CCCC2)CCN1C(=O)CN(C)C1CCC1 ZINC000986356446 639884864 /nfs/dbraw/zinc/88/48/64/639884864.db2.gz OZSPYAJUFWONAC-WMLDXEAASA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC(C[N@H+](C)CC3CCC3)CC2)C1 ZINC001029995708 640022780 /nfs/dbraw/zinc/02/27/80/640022780.db2.gz VOXLUBBTDJOVLM-MRXNPFEDSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC(C[N@@H+](C)CC3CCC3)CC2)C1 ZINC001029995708 640022783 /nfs/dbraw/zinc/02/27/83/640022783.db2.gz VOXLUBBTDJOVLM-MRXNPFEDSA-N 1 3 321.509 2.299 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H]2C)cc1 ZINC000987065123 640071183 /nfs/dbraw/zinc/07/11/83/640071183.db2.gz HXLVAKVEIOCTSC-PBHICJAKSA-N 1 3 312.417 2.040 20 0 DEADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@H]2C)cc1 ZINC000987065130 640071499 /nfs/dbraw/zinc/07/14/99/640071499.db2.gz HXLVAKVEIOCTSC-WMLDXEAASA-N 1 3 312.417 2.040 20 0 DEADHO C[C@H]1[C@H]([NH2+]CCC2CCCC2)CCN1C(=O)CN1CCCC1 ZINC000987532498 640213981 /nfs/dbraw/zinc/21/39/81/640213981.db2.gz QUVAHPYUPURRRH-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)CN1C(=O)CN(C)C1CCC1 ZINC000988957246 640696875 /nfs/dbraw/zinc/69/68/75/640696875.db2.gz XHKAWVUDVDFIKP-GDBMZVCRSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)[C@H](C(=O)N1CCCN(CC2CC2)CC1)[NH+]1CCCCC1 ZINC000989739309 641216958 /nfs/dbraw/zinc/21/69/58/641216958.db2.gz RBQGHFAPKLRMMV-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO Cc1cccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)c1 ZINC000989797541 641236953 /nfs/dbraw/zinc/23/69/53/641236953.db2.gz YNANHQQWDSNPRT-FUHWJXTLSA-N 1 3 315.461 2.170 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)CN1C(=O)CN1CCCC1 ZINC000989799345 641237648 /nfs/dbraw/zinc/23/76/48/641237648.db2.gz LMULYNNKAOHMDQ-RDJZCZTQSA-N 1 3 319.493 2.242 20 0 DEADHO CCc1noc(C)c1[C@@H](C)[NH2+]C[C@@H](C)CN1CCN(CC)CC1 ZINC000769875852 641304868 /nfs/dbraw/zinc/30/48/68/641304868.db2.gz XOKULJXWCCZZQW-HUUCEWRRSA-N 1 3 322.497 2.470 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000926916802 641490180 /nfs/dbraw/zinc/49/01/80/641490180.db2.gz QZMLXMIFCKVGHB-IZXDZPFWSA-N 1 3 306.372 2.416 20 0 DEADHO Cc1ncc(CN(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000774744233 641956760 /nfs/dbraw/zinc/95/67/60/641956760.db2.gz YJOIAJHRZZYTJE-OAHLLOKOSA-N 1 3 308.495 2.052 20 0 DEADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)C12CC[NH+](CC1)C2 ZINC000900012575 642234440 /nfs/dbraw/zinc/23/44/40/642234440.db2.gz CABUXRWYTCDLTL-AWEZNQCLSA-N 1 3 319.474 2.097 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000900430156 642368408 /nfs/dbraw/zinc/36/84/08/642368408.db2.gz SABCMSHEOUYOGA-JKSUJKDBSA-N 1 3 307.482 2.336 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000900430156 642368411 /nfs/dbraw/zinc/36/84/11/642368411.db2.gz SABCMSHEOUYOGA-JKSUJKDBSA-N 1 3 307.482 2.336 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900430149 642368597 /nfs/dbraw/zinc/36/85/97/642368597.db2.gz SABCMSHEOUYOGA-CVEARBPZSA-N 1 3 307.482 2.336 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900430149 642368600 /nfs/dbraw/zinc/36/86/00/642368600.db2.gz SABCMSHEOUYOGA-CVEARBPZSA-N 1 3 307.482 2.336 20 0 DEADHO C[C@H]1CN(C(=O)Nc2cccc(CN(C)C)c2)CC[C@H]1C[NH3+] ZINC000900473370 642388150 /nfs/dbraw/zinc/38/81/50/642388150.db2.gz CRJRQGHUYKCKEV-ZFWWWQNUSA-N 1 3 304.438 2.197 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)N(C)C ZINC000900960199 642532446 /nfs/dbraw/zinc/53/24/46/642532446.db2.gz QUONULMQIHEUQF-NJAFHUGGSA-N 1 3 317.477 2.353 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N(C)C ZINC000900960199 642532450 /nfs/dbraw/zinc/53/24/50/642532450.db2.gz QUONULMQIHEUQF-NJAFHUGGSA-N 1 3 317.477 2.353 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CNCC2(C)C)C1 ZINC000902451980 643046625 /nfs/dbraw/zinc/04/66/25/643046625.db2.gz ZMEHUZQOLSLUFL-JHJVBQTASA-N 1 3 318.408 2.331 20 0 DEADHO OC1(C2(CNC3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)CC2)CCOCC1 ZINC000903223640 643295678 /nfs/dbraw/zinc/29/56/78/643295678.db2.gz IHVCOWBDWAWCAX-ZXFUBFMLSA-N 1 3 320.477 2.056 20 0 DEADHO OC1(C2(CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CC2)CCOCC1 ZINC000903223640 643295679 /nfs/dbraw/zinc/29/56/79/643295679.db2.gz IHVCOWBDWAWCAX-ZXFUBFMLSA-N 1 3 320.477 2.056 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000903385478 643337023 /nfs/dbraw/zinc/33/70/23/643337023.db2.gz XKKCSSJSUWSROD-OLMNPRSZSA-N 1 3 302.466 2.147 20 0 DEADHO C[C@H](c1cccnc1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903508493 643373648 /nfs/dbraw/zinc/37/36/48/643373648.db2.gz ITSVLYNOKWCALV-OLMNPRSZSA-N 1 3 300.450 2.043 20 0 DEADHO C[C@H](c1cccnc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903508493 643373651 /nfs/dbraw/zinc/37/36/51/643373651.db2.gz ITSVLYNOKWCALV-OLMNPRSZSA-N 1 3 300.450 2.043 20 0 DEADHO C[C@H](c1cccnc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903508493 643373652 /nfs/dbraw/zinc/37/36/52/643373652.db2.gz ITSVLYNOKWCALV-OLMNPRSZSA-N 1 3 300.450 2.043 20 0 DEADHO FC(F)(F)[C@@H]1CCCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903718628 643438207 /nfs/dbraw/zinc/43/82/07/643438207.db2.gz PVAGJTOCUNKZSU-OLZOCXBDSA-N 1 3 306.372 2.419 20 0 DEADHO C[C@@H]1CCCN(C(=O)C2CCN(C[C@H]3CCCC[NH2+]C3)CC2)C1 ZINC000903723621 643439958 /nfs/dbraw/zinc/43/99/58/643439958.db2.gz XBRBCMANJAEDFG-SJORKVTESA-N 1 3 321.509 2.347 20 0 DEADHO Cc1nn(C(C)C)cc1CN1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000903785921 643462232 /nfs/dbraw/zinc/46/22/32/643462232.db2.gz BMQGTJJWIMNJLJ-MRXNPFEDSA-N 1 3 306.454 2.102 20 0 DEADHO C[N@H+](CCOc1ccc(Cl)c(F)c1)C1(CN)CCOCC1 ZINC000903810125 643471003 /nfs/dbraw/zinc/47/10/03/643471003.db2.gz YITGDTLJBQWCTM-UHFFFAOYSA-N 1 3 316.804 2.298 20 0 DEADHO C[N@@H+](CCOc1ccc(Cl)c(F)c1)C1(CN)CCOCC1 ZINC000903810125 643471006 /nfs/dbraw/zinc/47/10/06/643471006.db2.gz YITGDTLJBQWCTM-UHFFFAOYSA-N 1 3 316.804 2.298 20 0 DEADHO FC1(F)[C@@H]2C[C@@H](CN3CC[NH2+]CCC34CCOCC4)C[C@@H]21 ZINC000903820039 643472383 /nfs/dbraw/zinc/47/23/83/643472383.db2.gz RXBAXTQPVDWSDL-ZSOGYDGISA-N 1 3 300.393 2.122 20 0 DEADHO Cc1c(C[C@@H](CN)C[NH2+]C[C@@H](C)Cc2cccs2)cnn1C ZINC000903924274 643509835 /nfs/dbraw/zinc/50/98/35/643509835.db2.gz BAKGWXPBLVZQFT-ZFWWWQNUSA-N 1 3 320.506 2.376 20 0 DEADHO Cc1c(C[C@@H](C[NH3+])CN[C@@H]2CCc3c2cccc3F)cnn1C ZINC000903927575 643511032 /nfs/dbraw/zinc/51/10/32/643511032.db2.gz ZROOCFYMTMIYMC-SCLBCKFNSA-N 1 3 316.424 2.262 20 0 DEADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCCC[C@H]1C1CCC1 ZINC000903931447 643513263 /nfs/dbraw/zinc/51/32/63/643513263.db2.gz DYJCZKUWGCWTAF-WBVHZDCISA-N 1 3 303.454 2.357 20 0 DEADHO FC1(F)CCNC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000903955475 643529420 /nfs/dbraw/zinc/52/94/20/643529420.db2.gz SLMIVYHTRWFTGJ-CQSZACIVSA-N 1 3 306.360 2.411 20 0 DEADHO Nc1ccc(CN2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)nn1 ZINC000904385580 643656721 /nfs/dbraw/zinc/65/67/21/643656721.db2.gz ZFWXDQHGTGIHRK-BBRMVZONSA-N 1 3 303.454 2.178 20 0 DEADHO COc1cc(OC)c(CN2CC[C@H](C[NH3+])[C@H](C)C2)c(OC)c1 ZINC000904411516 643661676 /nfs/dbraw/zinc/66/16/76/643661676.db2.gz LKCGIZSBBRDCQO-CHWSQXEVSA-N 1 3 308.422 2.129 20 0 DEADHO CC(C)CN1CCC([NH2+]C[C@@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000905066473 643785519 /nfs/dbraw/zinc/78/55/19/643785519.db2.gz RSORHXZGSNHQMF-OALUTQOASA-N 1 3 320.477 2.181 20 0 DEADHO O[C@H](CNC[C@@H]1CC[N@@H+]1C1CCCCCC1)C1(O)CCCC1 ZINC000905407826 643897404 /nfs/dbraw/zinc/89/74/04/643897404.db2.gz FUIHLFMJTVXUOL-DLBZAZTESA-N 1 3 310.482 2.039 20 0 DEADHO O[C@H](CNC[C@@H]1CC[N@H+]1C1CCCCCC1)C1(O)CCCC1 ZINC000905407826 643897406 /nfs/dbraw/zinc/89/74/06/643897406.db2.gz FUIHLFMJTVXUOL-DLBZAZTESA-N 1 3 310.482 2.039 20 0 DEADHO O[C@@H](C[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F)CN1CCCC1 ZINC000905588273 643967350 /nfs/dbraw/zinc/96/73/50/643967350.db2.gz UOHGDYZSSJNBKR-ARFHVFGLSA-N 1 3 310.388 2.082 20 0 DEADHO CC(C)(C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1CCCCC1 ZINC000906612083 644292792 /nfs/dbraw/zinc/29/27/92/644292792.db2.gz VYRZNMTWHMWEKM-INIZCTEOSA-N 1 3 307.482 2.338 20 0 DEADHO CCCCC[C@H](C)NC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843388563 650964234 /nfs/dbraw/zinc/96/42/34/650964234.db2.gz RSWVBCPGKLKKST-GVDBMIGSSA-N 1 3 309.498 2.393 20 0 DEADHO CN1CCN(CC[NH2+]Cc2cnc3ccccc3c2)CC1(C)C ZINC000799346419 645162659 /nfs/dbraw/zinc/16/26/59/645162659.db2.gz KZIPOSUJDULKJM-UHFFFAOYSA-N 1 3 312.461 2.350 20 0 DEADHO COc1ccccc1[C@H](N)CNC(=O)[C@H]([NH3+])C1CCCCCC1 ZINC000911664274 645768909 /nfs/dbraw/zinc/76/89/09/645768909.db2.gz KZEFAGJYNIOXCP-NVXWUHKLSA-N 1 3 319.449 2.109 20 0 DEADHO CC[NH2+]Cc1ccccc1NC(=O)c1cc2n(n1)CCC[C@H]2N ZINC000911685258 645781833 /nfs/dbraw/zinc/78/18/33/645781833.db2.gz MRACDSLUUSNFKP-CYBMUJFWSA-N 1 3 313.405 2.039 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)NCCCCCCC[NH+](C)C ZINC000912305018 646019672 /nfs/dbraw/zinc/01/96/72/646019672.db2.gz YMYWHYPZUOMEJH-INIZCTEOSA-N 1 3 312.502 2.282 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810379562 646357723 /nfs/dbraw/zinc/35/77/23/646357723.db2.gz ZVIFWIPSEPZPKZ-YOEHRIQHSA-N 1 3 313.461 2.190 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810379562 646357730 /nfs/dbraw/zinc/35/77/30/646357730.db2.gz ZVIFWIPSEPZPKZ-YOEHRIQHSA-N 1 3 313.461 2.190 20 0 DEADHO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000811458101 646533320 /nfs/dbraw/zinc/53/33/20/646533320.db2.gz UCPAZTZCDAAOAI-RHSMWYFYSA-N 1 3 313.461 2.142 20 0 DEADHO CC(C)N1CCC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000813520268 646781796 /nfs/dbraw/zinc/78/17/96/646781796.db2.gz FNFMVNBYJVKKOV-WMLDXEAASA-N 1 3 313.461 2.188 20 0 DEADHO CC(C)N1CCC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000813520268 646781797 /nfs/dbraw/zinc/78/17/97/646781797.db2.gz FNFMVNBYJVKKOV-WMLDXEAASA-N 1 3 313.461 2.188 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000813522518 646782662 /nfs/dbraw/zinc/78/26/62/646782662.db2.gz YIEMBLQHTCWSHV-HOCLYGCPSA-N 1 3 303.450 2.278 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnn(C)c2Cl)C[C@H](C)O1 ZINC000815120471 646973883 /nfs/dbraw/zinc/97/38/83/646973883.db2.gz JFDGDQVQQFDJLI-BETUJISGSA-N 1 3 314.861 2.053 20 0 DEADHO CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]21 ZINC000992859205 647308743 /nfs/dbraw/zinc/30/87/43/647308743.db2.gz MPNOEUSQCSHSTJ-FGTMMUONSA-N 1 3 321.509 2.345 20 0 DEADHO CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]21 ZINC000992859212 647308807 /nfs/dbraw/zinc/30/88/07/647308807.db2.gz MPNOEUSQCSHSTJ-KZNAEPCWSA-N 1 3 321.509 2.345 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H](O)c1ccccc1Br ZINC000817934157 647385963 /nfs/dbraw/zinc/38/59/63/647385963.db2.gz BGVHXJAQHBYVEY-LEWSCRJBSA-N 1 3 313.239 2.200 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H](O)c1ccccc1Br ZINC000817934158 647386278 /nfs/dbraw/zinc/38/62/78/647386278.db2.gz BGVHXJAQHBYVEY-ZLKJLUDKSA-N 1 3 313.239 2.200 20 0 DEADHO O[C@@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(F)c1 ZINC000819062427 647576201 /nfs/dbraw/zinc/57/62/01/647576201.db2.gz PRLKVKBUXKETKW-ROUUACIJSA-N 1 3 322.424 2.092 20 0 DEADHO Cc1nc(CN2CCC(C[NH2+][C@@H]3CCCN[C@@H]3C)CC2)oc1C ZINC000925479513 648222975 /nfs/dbraw/zinc/22/29/75/648222975.db2.gz RQZJOUDMYTUOGH-RHSMWYFYSA-N 1 3 320.481 2.234 20 0 DEADHO C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)N(C)Cc1ccccc1 ZINC000237572169 648375605 /nfs/dbraw/zinc/37/56/05/648375605.db2.gz JZAMQJXZIRIVBF-USXIJHARSA-N 1 3 303.450 2.141 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000826752394 648921031 /nfs/dbraw/zinc/92/10/31/648921031.db2.gz ZZSUNXPQAZUZOY-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000826752394 648921033 /nfs/dbraw/zinc/92/10/33/648921033.db2.gz ZZSUNXPQAZUZOY-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000827078332 648967205 /nfs/dbraw/zinc/96/72/05/648967205.db2.gz MEIZPJVPZOZXQF-IAGOWNOFSA-N 1 3 307.482 2.382 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000827078332 648967208 /nfs/dbraw/zinc/96/72/08/648967208.db2.gz MEIZPJVPZOZXQF-IAGOWNOFSA-N 1 3 307.482 2.382 20 0 DEADHO C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000831827445 649647237 /nfs/dbraw/zinc/64/72/37/649647237.db2.gz MOQAVPFLVGTIRT-QAPCUYQASA-N 1 3 315.461 2.470 20 0 DEADHO CC(C)(C)OC(=O)NCCCCCCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000844278886 651103119 /nfs/dbraw/zinc/10/31/19/651103119.db2.gz KYPWLDDLEYWPDS-HUUCEWRRSA-N 1 3 311.470 2.223 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC000848720373 651498024 /nfs/dbraw/zinc/49/80/24/651498024.db2.gz VREIRRKEVHWTOJ-BRWVUGGUSA-N 1 3 301.434 2.037 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=S)NC1CCCCC1 ZINC000849275506 651635488 /nfs/dbraw/zinc/63/54/88/651635488.db2.gz RRSBWTITYUHEJG-AWEZNQCLSA-N 1 3 314.543 2.055 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=S)NC1CCCCC1 ZINC000849275506 651635499 /nfs/dbraw/zinc/63/54/99/651635499.db2.gz RRSBWTITYUHEJG-AWEZNQCLSA-N 1 3 314.543 2.055 20 0 DEADHO C[C@@H](O)c1ncc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000849350784 651655871 /nfs/dbraw/zinc/65/58/71/651655871.db2.gz WDOQBMHVSMYJOZ-OCCSQVGLSA-N 1 3 309.479 2.408 20 0 DEADHO C/C(=C\C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccccc1 ZINC000855345485 651678724 /nfs/dbraw/zinc/67/87/24/651678724.db2.gz BOHQHCSPMSQISO-ZQHZRZASSA-N 1 3 317.477 2.478 20 0 DEADHO C/C(=C\C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccccc1 ZINC000855345485 651678729 /nfs/dbraw/zinc/67/87/29/651678729.db2.gz BOHQHCSPMSQISO-ZQHZRZASSA-N 1 3 317.477 2.478 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C=CCC3)CC2)CC1 ZINC000855432679 651697696 /nfs/dbraw/zinc/69/76/96/651697696.db2.gz MSLGZVIQHDQQHH-MRXNPFEDSA-N 1 3 305.466 2.018 20 0 DEADHO CC[C@H](O)C[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856600585 651956065 /nfs/dbraw/zinc/95/60/65/651956065.db2.gz VEJVIGPKBYLXEO-WMZOPIPTSA-N 1 3 321.465 2.146 20 0 DEADHO CC[C@H](O)C[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856600585 651956070 /nfs/dbraw/zinc/95/60/70/651956070.db2.gz VEJVIGPKBYLXEO-WMZOPIPTSA-N 1 3 321.465 2.146 20 0 DEADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](CC[C@@H](C)O)C2)ccn1 ZINC000856605918 651956788 /nfs/dbraw/zinc/95/67/88/651956788.db2.gz ZORMQRRNAZMZDK-QAPCUYQASA-N 1 3 321.465 2.146 20 0 DEADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](CC[C@@H](C)O)C2)ccn1 ZINC000856605918 651956790 /nfs/dbraw/zinc/95/67/90/651956790.db2.gz ZORMQRRNAZMZDK-QAPCUYQASA-N 1 3 321.465 2.146 20 0 DEADHO CO[C@H](C)C[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856603788 651956956 /nfs/dbraw/zinc/95/69/56/651956956.db2.gz OOAHNCLRIWPRGI-QAPCUYQASA-N 1 3 321.465 2.410 20 0 DEADHO CO[C@H](C)C[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856603788 651956959 /nfs/dbraw/zinc/95/69/59/651956959.db2.gz OOAHNCLRIWPRGI-QAPCUYQASA-N 1 3 321.465 2.410 20 0 DEADHO Cn1nccc1[C@@H](O)C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000856798911 651986482 /nfs/dbraw/zinc/98/64/82/651986482.db2.gz LXXQKSINBGZNFN-SFHVURJKSA-N 1 3 320.481 2.042 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@H]2CCN2C(C)(C)C)C1 ZINC000852223164 652367059 /nfs/dbraw/zinc/36/70/59/652367059.db2.gz IBZFQOMGOCWFAZ-RBSFLKMASA-N 1 3 310.486 2.031 20 0 DEADHO O=C(C=C1CC[NH2+]CC1)NC[C@H](c1cccs1)N1CCCC1 ZINC000852854201 652470437 /nfs/dbraw/zinc/47/04/37/652470437.db2.gz FCLIHJNLJIETNC-OAHLLOKOSA-N 1 3 319.474 2.311 20 0 DEADHO CCc1c(Cl)nc(C)nc1NCC[N@H+](C)CCCN(C)C ZINC000853798769 652605011 /nfs/dbraw/zinc/60/50/11/652605011.db2.gz KUFUNKGWSXIVOF-UHFFFAOYSA-N 1 3 313.877 2.296 20 0 DEADHO CCc1c(Cl)nc(C)nc1NCC[N@@H+](C)CCCN(C)C ZINC000853798769 652605012 /nfs/dbraw/zinc/60/50/12/652605012.db2.gz KUFUNKGWSXIVOF-UHFFFAOYSA-N 1 3 313.877 2.296 20 0 DEADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCCNC2=O)cc1 ZINC000854230722 652662542 /nfs/dbraw/zinc/66/25/42/652662542.db2.gz CVVXKCDMMWPTEC-IRXDYDNUSA-N 1 3 316.449 2.356 20 0 DEADHO CC(C)[C@H](CNC(=O)[C@@H]1CCCN1C(C)C)[NH2+]C/C=C\Cl ZINC001374418475 1157848259 /nfs/dbraw/zinc/84/82/59/1157848259.db2.gz GKLRRCPTMBVSRF-MSSSOJMCSA-N 1 3 315.889 2.342 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001393599353 1157875951 /nfs/dbraw/zinc/87/59/51/1157875951.db2.gz NRECJPJTJUYPJC-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001393599353 1157875952 /nfs/dbraw/zinc/87/59/52/1157875952.db2.gz NRECJPJTJUYPJC-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CCN(CCN[C@H](C)c1ccccc1F)C(=O)CC[NH+](C)C ZINC001374754571 1158006658 /nfs/dbraw/zinc/00/66/58/1158006658.db2.gz OSPCKWKFNOJPJN-CQSZACIVSA-N 1 3 309.429 2.277 20 0 DEADHO CC[N@@H+]1CC[C@@H](N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000858590161 685564213 /nfs/dbraw/zinc/56/42/13/685564213.db2.gz LWPDFYOVHJXJQE-RRFJBIMHSA-N 1 3 311.470 2.316 20 0 DEADHO CC[N@H+]1CC[C@@H](N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000858590161 685564217 /nfs/dbraw/zinc/56/42/17/685564217.db2.gz LWPDFYOVHJXJQE-RRFJBIMHSA-N 1 3 311.470 2.316 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000078799893 683967637 /nfs/dbraw/zinc/96/76/37/683967637.db2.gz QBLPJRNAGONSPX-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000078799893 683967643 /nfs/dbraw/zinc/96/76/43/683967643.db2.gz QBLPJRNAGONSPX-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@]2(CC[N@@H+](C(C)C)C2)C1)N(C)C ZINC001054191867 693875908 /nfs/dbraw/zinc/87/59/08/693875908.db2.gz NYBIFTKPYXBAES-AEFFLSMTSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](C(C)C)C2)C1)N(C)C ZINC001054191867 693875911 /nfs/dbraw/zinc/87/59/11/693875911.db2.gz NYBIFTKPYXBAES-AEFFLSMTSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001054197353 693877361 /nfs/dbraw/zinc/87/73/61/693877361.db2.gz WPUVTFASKQLVOP-LJQANCHMSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001054197353 693877365 /nfs/dbraw/zinc/87/73/65/693877365.db2.gz WPUVTFASKQLVOP-LJQANCHMSA-N 1 3 321.509 2.441 20 0 DEADHO CN(CCCO)C1CC[NH+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC000929659200 693999486 /nfs/dbraw/zinc/99/94/86/693999486.db2.gz ZDZXPJXFMGLDBG-YOWGUQMCSA-N 1 3 302.409 2.056 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CC1CCCCC1 ZINC001054736670 694035336 /nfs/dbraw/zinc/03/53/36/694035336.db2.gz LDAFYTJPEAQTRZ-QAPCUYQASA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]CC1CCCC1 ZINC001054740008 694036563 /nfs/dbraw/zinc/03/65/63/694036563.db2.gz UPWKRNYWUCREJY-ZBFHGGJFSA-N 1 3 307.482 2.097 20 0 DEADHO COC(=O)[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000929842887 694041347 /nfs/dbraw/zinc/04/13/47/694041347.db2.gz FFTYETLMKPMYRT-YYIAUSFCSA-N 1 3 308.466 2.382 20 0 DEADHO COC(=O)[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000929842887 694041349 /nfs/dbraw/zinc/04/13/49/694041349.db2.gz FFTYETLMKPMYRT-YYIAUSFCSA-N 1 3 308.466 2.382 20 0 DEADHO CN(C)C1(CNC(=[NH2+])Nc2ccc(CCO)cc2)CCCCC1 ZINC000864451922 686724225 /nfs/dbraw/zinc/72/42/25/686724225.db2.gz KZZDDEZSOYIRII-UHFFFAOYSA-N 1 3 318.465 2.422 20 0 DEADHO CC(=O)NCC1CCC([NH2+]C[C@@H]2CCCN(C(C)C)C2)CC1 ZINC000865450451 687217121 /nfs/dbraw/zinc/21/71/21/687217121.db2.gz PMFCHDJIWYJJDX-ADKAHSJRSA-N 1 3 309.498 2.391 20 0 DEADHO CN1CCC(O)(C[NH2+]Cc2cccc(OC(C)(C)C)c2)CC1 ZINC000865472837 687225583 /nfs/dbraw/zinc/22/55/83/687225583.db2.gz GPEUPENFIMRJHF-UHFFFAOYSA-N 1 3 306.450 2.410 20 0 DEADHO CSC1(CNCc2cc3c(cc[nH]c3=O)o2)CC[NH+](C)CC1 ZINC000865573121 687263915 /nfs/dbraw/zinc/26/39/15/687263915.db2.gz BZVNEKYBVJNDGC-UHFFFAOYSA-N 1 3 321.446 2.450 20 0 DEADHO C[NH+](C)C1CC(NCC23CC(C2)CN3C(=O)OC(C)(C)C)C1 ZINC000865611730 687276891 /nfs/dbraw/zinc/27/68/91/687276891.db2.gz HJNONOOATHEXSU-UHFFFAOYSA-N 1 3 309.454 2.068 20 0 DEADHO C[C@H](F)CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001016333132 687594996 /nfs/dbraw/zinc/59/49/96/687594996.db2.gz TZTHTTTVDOPYJR-WMLDXEAASA-N 1 3 321.440 2.300 20 0 DEADHO C[C@H](F)CC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001016333132 687594999 /nfs/dbraw/zinc/59/49/99/687594999.db2.gz TZTHTTTVDOPYJR-WMLDXEAASA-N 1 3 321.440 2.300 20 0 DEADHO CCC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001016761557 687697739 /nfs/dbraw/zinc/69/77/39/687697739.db2.gz MUUCEKALRVQCHO-HNNXBMFYSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001019000707 688267677 /nfs/dbraw/zinc/26/76/77/688267677.db2.gz KRTPNLLZIKGTIW-IRXDYDNUSA-N 1 3 321.440 2.102 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c1 ZINC001019380625 688342506 /nfs/dbraw/zinc/34/25/06/688342506.db2.gz HLAFBNVDANHPKE-AEFFLSMTSA-N 1 3 315.461 2.170 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)c1ccsc1 ZINC000870865561 688671454 /nfs/dbraw/zinc/67/14/54/688671454.db2.gz CLHZPJIZGMGXSS-AESZEHBQSA-N 1 3 321.490 2.375 20 0 DEADHO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000870988636 688704789 /nfs/dbraw/zinc/70/47/89/688704789.db2.gz VUQMGVJKFNLPMW-QFBILLFUSA-N 1 3 315.461 2.445 20 0 DEADHO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@H]2CNCc3ccccc32)C1 ZINC000870989681 688705474 /nfs/dbraw/zinc/70/54/74/688705474.db2.gz MMFSBXMDQGMHIP-LPHOPBHVSA-N 1 3 315.461 2.097 20 0 DEADHO CN(CCCCCC[NH3+])CC(=O)NCc1ccc(Cl)cc1 ZINC000872155225 688939808 /nfs/dbraw/zinc/93/98/08/688939808.db2.gz OOYURSXLHFOCFP-UHFFFAOYSA-N 1 3 311.857 2.407 20 0 DEADHO CC(C)CNC(=O)CN1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156726 688940031 /nfs/dbraw/zinc/94/00/31/688940031.db2.gz CRSDPTHCTLRZJF-DOTOQJQBSA-N 1 3 309.498 2.378 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001031684701 688979188 /nfs/dbraw/zinc/97/91/88/688979188.db2.gz ZKFGUJUTVKBUKB-ZWKOTPCHSA-N 1 3 319.493 2.265 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(CC3=CCCCC3)C2)CC[N@H+]1C ZINC001031684701 688979190 /nfs/dbraw/zinc/97/91/90/688979190.db2.gz ZKFGUJUTVKBUKB-ZWKOTPCHSA-N 1 3 319.493 2.265 20 0 DEADHO CCN1CCN(C[C@@H](C)CNc2cc[nH+]cc2C2CC2)CC1 ZINC000872416113 688996177 /nfs/dbraw/zinc/99/61/77/688996177.db2.gz SOYAYLMMJLSUEW-HNNXBMFYSA-N 1 3 302.466 2.066 20 0 DEADHO O=C(NCC1CN(CC2=CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001031813700 689001965 /nfs/dbraw/zinc/00/19/65/689001965.db2.gz ZTWKDLCOWHUGOV-UHFFFAOYSA-N 1 3 317.477 2.163 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)NCC1C[NH+](CC2CCC2)C1 ZINC001032119219 689066769 /nfs/dbraw/zinc/06/67/69/689066769.db2.gz IUXNNTSMMLZBCY-GOSISDBHSA-N 1 3 321.509 2.489 20 0 DEADHO CN1CCC[C@@H]1CNC(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000872926248 689121453 /nfs/dbraw/zinc/12/14/53/689121453.db2.gz CSXNKHABVZAAQX-MRXNPFEDSA-N 1 3 322.497 2.131 20 0 DEADHO CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001032443607 689152980 /nfs/dbraw/zinc/15/29/80/689152980.db2.gz ZPCHNFNELDHPGR-IKGGRYGDSA-N 1 3 307.482 2.050 20 0 DEADHO CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001032443607 689152982 /nfs/dbraw/zinc/15/29/82/689152982.db2.gz ZPCHNFNELDHPGR-IKGGRYGDSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCC1)N(C)C ZINC001032459404 689156395 /nfs/dbraw/zinc/15/63/95/689156395.db2.gz BBTYGQWFGKOZMP-ULQDDVLXSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCC1)N(C)C ZINC001032459404 689156397 /nfs/dbraw/zinc/15/63/97/689156397.db2.gz BBTYGQWFGKOZMP-ULQDDVLXSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+]1CCC2 ZINC001032498465 689167635 /nfs/dbraw/zinc/16/76/35/689167635.db2.gz VZPODOBOXQLEBA-HOTGVXAUSA-N 1 3 319.493 2.336 20 0 DEADHO CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001032580923 689193423 /nfs/dbraw/zinc/19/34/23/689193423.db2.gz DWLGINAEKARJFM-IKGGRYGDSA-N 1 3 307.482 2.194 20 0 DEADHO CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001032580923 689193425 /nfs/dbraw/zinc/19/34/25/689193425.db2.gz DWLGINAEKARJFM-IKGGRYGDSA-N 1 3 307.482 2.194 20 0 DEADHO CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001032580924 689193555 /nfs/dbraw/zinc/19/35/55/689193555.db2.gz DWLGINAEKARJFM-ULQDDVLXSA-N 1 3 307.482 2.194 20 0 DEADHO CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001032580924 689193558 /nfs/dbraw/zinc/19/35/58/689193558.db2.gz DWLGINAEKARJFM-ULQDDVLXSA-N 1 3 307.482 2.194 20 0 DEADHO CCc1cccnc1[C@H](C)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290562 689203356 /nfs/dbraw/zinc/20/33/56/689203356.db2.gz ACRSVJAAXJLHEL-HOCLYGCPSA-N 1 3 303.450 2.453 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC(C)(C)C ZINC001032627030 689206458 /nfs/dbraw/zinc/20/64/58/689206458.db2.gz QSKAOUVNAWDEDE-JYJNAYRXSA-N 1 3 307.482 2.192 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC(C)(C)C ZINC001032627030 689206460 /nfs/dbraw/zinc/20/64/60/689206460.db2.gz QSKAOUVNAWDEDE-JYJNAYRXSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)=CCN1CC[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033295060 689452085 /nfs/dbraw/zinc/45/20/85/689452085.db2.gz HPWMQRHYQZJZCE-MSOLQXFVSA-N 1 3 319.493 2.360 20 0 DEADHO CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CCN(CC=C(C)C)C1 ZINC001033830990 689630205 /nfs/dbraw/zinc/63/02/05/689630205.db2.gz RHWXJTDBSHFURA-ROUUACIJSA-N 1 3 319.493 2.217 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]CCC3CC3)CC2)C1 ZINC001034734703 689936193 /nfs/dbraw/zinc/93/61/93/689936193.db2.gz VUJFQUWZPIJKNN-DJIMGWMZSA-N 1 3 307.482 2.145 20 0 DEADHO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CCN(C2CCCCC2)CC1 ZINC000876874013 689960949 /nfs/dbraw/zinc/96/09/49/689960949.db2.gz YAWGMDJKLAWBJY-QWGSZXSUSA-N 1 3 305.466 2.019 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]1C[NH2+]CC1CC(C)(C)C1)C1CCC1 ZINC001034957561 689998790 /nfs/dbraw/zinc/99/87/90/689998790.db2.gz AQAOKACHZGSSKY-QGZVFWFLSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)(CNC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Oc1ccccc1 ZINC000877022977 689999869 /nfs/dbraw/zinc/99/98/69/689999869.db2.gz ZDQFFIRRJYRFSC-DOTOQJQBSA-N 1 3 304.434 2.297 20 0 DEADHO CC(C)(CNC[C@@H]1C[N@H+]2CCC[C@H]2CO1)Oc1ccccc1 ZINC000877022977 689999872 /nfs/dbraw/zinc/99/98/72/689999872.db2.gz ZDQFFIRRJYRFSC-DOTOQJQBSA-N 1 3 304.434 2.297 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)C[C@H]1CC[NH2+]C1 ZINC000877030906 690001864 /nfs/dbraw/zinc/00/18/64/690001864.db2.gz NLDUZXSPVFVQPA-QGPMSJSTSA-N 1 3 313.445 2.129 20 0 DEADHO C[C@H](NC1CC[NH+](CC(C)(C)O)CC1)[C@H](O)c1cccc(F)c1 ZINC000877083119 690014578 /nfs/dbraw/zinc/01/45/78/690014578.db2.gz IEVRMOYNVDDIDY-GUYCJALGSA-N 1 3 324.440 2.073 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1C)N(C)C ZINC001035052188 690021948 /nfs/dbraw/zinc/02/19/48/690021948.db2.gz HMSQXVLJGOIEDW-MSOLQXFVSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001035062808 690024069 /nfs/dbraw/zinc/02/40/69/690024069.db2.gz NZIVQJQOGGPODS-QGZVFWFLSA-N 1 3 312.417 2.041 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CC[C@H]([NH3+])CC3)C2)cc1 ZINC000877222031 690049243 /nfs/dbraw/zinc/04/92/43/690049243.db2.gz WHGSEEAIACNEMN-BZSNNMDCSA-N 1 3 315.461 2.203 20 0 DEADHO CC(C)C[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001035194541 690056033 /nfs/dbraw/zinc/05/60/33/690056033.db2.gz QSBGSEUSLILIBY-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[N@H+]1CCC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001035194541 690056035 /nfs/dbraw/zinc/05/60/35/690056035.db2.gz QSBGSEUSLILIBY-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[N@@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@H](C)C1)CC2 ZINC001035227427 690066442 /nfs/dbraw/zinc/06/64/42/690066442.db2.gz RVEWUBDBWGIYBW-KRWDZBQOSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)C[N@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@H](C)C1)CC2 ZINC001035227427 690066445 /nfs/dbraw/zinc/06/64/45/690066445.db2.gz RVEWUBDBWGIYBW-KRWDZBQOSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000877403898 690103309 /nfs/dbraw/zinc/10/33/09/690103309.db2.gz WKVIMOHNUUWSRD-OAGGEKHMSA-N 1 3 307.482 2.288 20 0 DEADHO CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)CN1CCC[C@@H]1C)CC2 ZINC001035797756 690179116 /nfs/dbraw/zinc/17/91/16/690179116.db2.gz HZMXTNWSYHWCTJ-IRXDYDNUSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CCC1CC1 ZINC001036055526 690248174 /nfs/dbraw/zinc/24/81/74/690248174.db2.gz PVTSLANTYQGUPH-GOEBONIOSA-N 1 3 307.482 2.097 20 0 DEADHO C([C@H]1CC[C@@H](C2CC2)O1)[NH+]1CCC(N2CCCOCC2)CC1 ZINC000931284038 694356268 /nfs/dbraw/zinc/35/62/68/694356268.db2.gz MKIHMOATQKKSKI-MSOLQXFVSA-N 1 3 308.466 2.131 20 0 DEADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]Cc1ccsc1 ZINC001036206610 690291013 /nfs/dbraw/zinc/29/10/13/690291013.db2.gz REHOTFHCVNEBGN-DOMZBBRYSA-N 1 3 318.446 2.041 20 0 DEADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H]1CCCC(C)(C)O1 ZINC000878311139 690375875 /nfs/dbraw/zinc/37/58/75/690375875.db2.gz BEVGNDAJMDKVQS-QGZVFWFLSA-N 1 3 311.514 2.292 20 0 DEADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H]1CCCC(C)(C)O1 ZINC000878311139 690375877 /nfs/dbraw/zinc/37/58/77/690375877.db2.gz BEVGNDAJMDKVQS-QGZVFWFLSA-N 1 3 311.514 2.292 20 0 DEADHO C[C@H]1CCCN(C(=O)CN(C)C2CCC2)[C@@H]1C[NH2+]CC1CCC1 ZINC001036557160 690385233 /nfs/dbraw/zinc/38/52/33/690385233.db2.gz YEUGQCZHMOXAMC-MAUKXSAKSA-N 1 3 321.509 2.488 20 0 DEADHO C[NH+]1CCC(NC(=O)CN[C@H](CC2CC2)c2ccccc2)CC1 ZINC000878364640 690388601 /nfs/dbraw/zinc/38/86/01/690388601.db2.gz SDFUMOBQQOXXDM-GOSISDBHSA-N 1 3 315.461 2.328 20 0 DEADHO CC(C)[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CN1CCC(C)(C)C1 ZINC001036577808 690389532 /nfs/dbraw/zinc/38/95/32/690389532.db2.gz NLJMCNNHLPZFOR-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)CC[C@@H]21 ZINC001036736470 690453055 /nfs/dbraw/zinc/45/30/55/690453055.db2.gz AFSSQNYVJWUDAY-WBVHZDCISA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)CC[C@@H]21 ZINC001036736470 690453059 /nfs/dbraw/zinc/45/30/59/690453059.db2.gz AFSSQNYVJWUDAY-WBVHZDCISA-N 1 3 307.482 2.050 20 0 DEADHO C[NH+]1CCC2(CCN([C@H]3CCN(C(C)(C)C)C3=O)CC2)CC1 ZINC000879251332 690603014 /nfs/dbraw/zinc/60/30/14/690603014.db2.gz UCECIBGUHZPABK-HNNXBMFYSA-N 1 3 307.482 2.194 20 0 DEADHO CCCN1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038246070 690756271 /nfs/dbraw/zinc/75/62/71/690756271.db2.gz BMJCITRMVLIEQB-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038246070 690756274 /nfs/dbraw/zinc/75/62/74/690756274.db2.gz BMJCITRMVLIEQB-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2CCC2CCCC2)CC[N@@H+]1C ZINC001038272245 690763424 /nfs/dbraw/zinc/76/34/24/690763424.db2.gz HWRATXDXFWLEBV-OKZBNKHCSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2CCC2CCCC2)CC[N@H+]1C ZINC001038272245 690763425 /nfs/dbraw/zinc/76/34/25/690763425.db2.gz HWRATXDXFWLEBV-OKZBNKHCSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CCCC1 ZINC001038322259 690779814 /nfs/dbraw/zinc/77/98/14/690779814.db2.gz QSJUCTBCLWYXJQ-IAGOWNOFSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CCCC1 ZINC001038322259 690779817 /nfs/dbraw/zinc/77/98/17/690779817.db2.gz QSJUCTBCLWYXJQ-IAGOWNOFSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)CCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001038346131 690789830 /nfs/dbraw/zinc/78/98/30/690789830.db2.gz OXCDLNNLQUWFBZ-DLBZAZTESA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)CCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001038346131 690789833 /nfs/dbraw/zinc/78/98/33/690789833.db2.gz OXCDLNNLQUWFBZ-DLBZAZTESA-N 1 3 309.498 2.201 20 0 DEADHO CC1(N2CCC2)CC[NH+](C[C@H]2CCC3(CCOCC3)O2)CC1 ZINC000880476227 690906881 /nfs/dbraw/zinc/90/68/81/690906881.db2.gz RGDZSCXXWRTMDH-MRXNPFEDSA-N 1 3 308.466 2.275 20 0 DEADHO CC(C)CCN1CC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001038897921 690960381 /nfs/dbraw/zinc/96/03/81/690960381.db2.gz XYOHWXLNGXOSQJ-GOSISDBHSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001039039300 691000903 /nfs/dbraw/zinc/00/09/03/691000903.db2.gz CGSIQNCQHYUVFA-QGZVFWFLSA-N 1 3 303.450 2.208 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001039039300 691000905 /nfs/dbraw/zinc/00/09/05/691000905.db2.gz CGSIQNCQHYUVFA-QGZVFWFLSA-N 1 3 303.450 2.208 20 0 DEADHO CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039173073 691039440 /nfs/dbraw/zinc/03/94/40/691039440.db2.gz MSSYXCHCAHWZGF-QGZVFWFLSA-N 1 3 307.482 2.053 20 0 DEADHO CCC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039173073 691039443 /nfs/dbraw/zinc/03/94/43/691039443.db2.gz MSSYXCHCAHWZGF-QGZVFWFLSA-N 1 3 307.482 2.053 20 0 DEADHO CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039214092 691057663 /nfs/dbraw/zinc/05/76/63/691057663.db2.gz NJWFGHQDOOAESP-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039214092 691057667 /nfs/dbraw/zinc/05/76/67/691057667.db2.gz NJWFGHQDOOAESP-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1(N(C)C)CCC1 ZINC001039289174 691075770 /nfs/dbraw/zinc/07/57/70/691075770.db2.gz PEPKAPULLTYKFW-MQVJKMGUSA-N 1 3 307.482 2.382 20 0 DEADHO CN1CCN(C2CC[NH+](CCc3cccc(F)c3)CC2)CC1 ZINC000931549914 694425585 /nfs/dbraw/zinc/42/55/85/694425585.db2.gz RGCJIPWBWGOEJC-UHFFFAOYSA-N 1 3 305.441 2.080 20 0 DEADHO CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001040393748 691241165 /nfs/dbraw/zinc/24/11/65/691241165.db2.gz DQPWQDJGOBMZBS-FUHWJXTLSA-N 1 3 307.482 2.053 20 0 DEADHO CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001040393748 691241167 /nfs/dbraw/zinc/24/11/67/691241167.db2.gz DQPWQDJGOBMZBS-FUHWJXTLSA-N 1 3 307.482 2.053 20 0 DEADHO CC(C)[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001040394979 691242141 /nfs/dbraw/zinc/24/21/41/691242141.db2.gz NJZILWADMMBBHD-AEFFLSMTSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[N@H+]1CCC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001040394979 691242143 /nfs/dbraw/zinc/24/21/43/691242143.db2.gz NJZILWADMMBBHD-AEFFLSMTSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@H](C(=O)N1CCC2(C1)CC[NH+](CC1CC1)CC2)N(C)C ZINC001040745814 691284735 /nfs/dbraw/zinc/28/47/35/691284735.db2.gz QBDIUQDEDYEVHY-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@]2(CC[N@H+](CCC3CC3)C2)C1)C1CC1 ZINC001041359130 691366967 /nfs/dbraw/zinc/36/69/67/691366967.db2.gz SCEMBPMVACSHNZ-HKUYNNGSSA-N 1 3 319.493 2.051 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CCC3CC3)C2)C1)C1CC1 ZINC001041359130 691366969 /nfs/dbraw/zinc/36/69/69/691366969.db2.gz SCEMBPMVACSHNZ-HKUYNNGSSA-N 1 3 319.493 2.051 20 0 DEADHO FC(F)(F)OCCCN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000883438505 691509937 /nfs/dbraw/zinc/50/99/37/691509937.db2.gz UTSRNASNQROKHB-CYBMUJFWSA-N 1 3 310.360 2.003 20 0 DEADHO CC(C)(C)[C@]1(CN)CC[N@H+](C[C@@H]2CCC3(CCOCC3)O2)C1 ZINC000883438830 691509997 /nfs/dbraw/zinc/50/99/97/691509997.db2.gz DCVQNGNMDQDFPX-RDJZCZTQSA-N 1 3 310.482 2.412 20 0 DEADHO CC(C)(C)[C@]1(CN)CC[N@@H+](C[C@@H]2CCC3(CCOCC3)O2)C1 ZINC000883438830 691510000 /nfs/dbraw/zinc/51/00/00/691510000.db2.gz DCVQNGNMDQDFPX-RDJZCZTQSA-N 1 3 310.482 2.412 20 0 DEADHO C([C@H]1CCC2(CCOCC2)CO1)[N@@H+]1CCNCCC12CCC2 ZINC000883460220 691516928 /nfs/dbraw/zinc/51/69/28/691516928.db2.gz RXCOBWAXYQZHJO-MRXNPFEDSA-N 1 3 308.466 2.180 20 0 DEADHO C([C@H]1CCC2(CCOCC2)CO1)[N@H+]1CCNCCC12CCC2 ZINC000883460220 691516931 /nfs/dbraw/zinc/51/69/31/691516931.db2.gz RXCOBWAXYQZHJO-MRXNPFEDSA-N 1 3 308.466 2.180 20 0 DEADHO CC(C)(CNC(=O)[C@@H]([NH3+])CC1CC1)N1CCc2ccccc2C1 ZINC000884188561 691677642 /nfs/dbraw/zinc/67/76/42/691677642.db2.gz KGRIALUMMSQJRF-KRWDZBQOSA-N 1 3 315.461 2.067 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H]([NH3+])CC1CC1)c1ccsc1 ZINC000884188777 691677854 /nfs/dbraw/zinc/67/78/54/691677854.db2.gz OWFCZRUBCIUIMU-HUUCEWRRSA-N 1 3 309.479 2.375 20 0 DEADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H](N)CC1CC1)c1ccccc1 ZINC000884212718 691684188 /nfs/dbraw/zinc/68/41/88/691684188.db2.gz LJDUMTUOPOMDQW-CJNGLKHVSA-N 1 3 303.450 2.359 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CCC2CC2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001044741404 691880627 /nfs/dbraw/zinc/88/06/27/691880627.db2.gz ACYFRUUBOGXEKZ-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO CC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001044869462 691899821 /nfs/dbraw/zinc/89/98/21/691899821.db2.gz ZWORWUWLVVBHEO-RHSMWYFYSA-N 1 3 303.450 2.351 20 0 DEADHO CC(C)[C@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cnn(C)c1 ZINC000886526956 692101841 /nfs/dbraw/zinc/10/18/41/692101841.db2.gz VZOLXPWXBVIEOQ-MSOLQXFVSA-N 1 3 320.481 2.350 20 0 DEADHO C(CN1CC[C@@H]([C@@H]2CCCO2)C1)C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886822387 692201439 /nfs/dbraw/zinc/20/14/39/692201439.db2.gz PYQIFJIRFYMNSQ-YRXWBPOGSA-N 1 3 322.493 2.378 20 0 DEADHO C(CN1CC[C@@H]([C@@H]2CCCO2)C1)C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886822387 692201442 /nfs/dbraw/zinc/20/14/42/692201442.db2.gz PYQIFJIRFYMNSQ-YRXWBPOGSA-N 1 3 322.493 2.378 20 0 DEADHO COCCN(Cc1ccc(C)c(C)c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000886881311 692220122 /nfs/dbraw/zinc/22/01/22/692220122.db2.gz ZIKZTOFSHOXMDK-GOSISDBHSA-N 1 3 318.461 2.273 20 0 DEADHO C[C@H]([NH2+]CC1CCCC1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048058993 692540571 /nfs/dbraw/zinc/54/05/71/692540571.db2.gz MWALAJVJPSNQDS-DOTOQJQBSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C[NH2+]CC1CCC1 ZINC001048387781 692610473 /nfs/dbraw/zinc/61/04/73/692610473.db2.gz SERAYNDLVMBGIJ-WBVHZDCISA-N 1 3 321.509 2.203 20 0 DEADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001048397899 692611774 /nfs/dbraw/zinc/61/17/74/692611774.db2.gz NFYBAHFHZKGDIO-GOEBONIOSA-N 1 3 316.449 2.137 20 0 DEADHO CC(C)=CC[N@H+]1C[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C1 ZINC001049057742 692753707 /nfs/dbraw/zinc/75/37/07/692753707.db2.gz RJSCHLNFDUEFHQ-CALCHBBNSA-N 1 3 319.493 2.075 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C1 ZINC001049057742 692753708 /nfs/dbraw/zinc/75/37/08/692753708.db2.gz RJSCHLNFDUEFHQ-CALCHBBNSA-N 1 3 319.493 2.075 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C1 ZINC001049132440 692770708 /nfs/dbraw/zinc/77/07/08/692770708.db2.gz SCQGPXXQBRSQSA-HDICACEKSA-N 1 3 319.493 2.075 20 0 DEADHO CC(C)=CC[N@H+]1C[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C1 ZINC001049132440 692770712 /nfs/dbraw/zinc/77/07/12/692770712.db2.gz SCQGPXXQBRSQSA-HDICACEKSA-N 1 3 319.493 2.075 20 0 DEADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2c(C)noc2C)CC1 ZINC000924949641 693205866 /nfs/dbraw/zinc/20/58/66/693205866.db2.gz HCDSSKAFCMCGRC-ZIAGYGMSSA-N 1 3 308.470 2.216 20 0 DEADHO C([C@@H]1CCOC1)N1CCC([NH2+][C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000925096565 693225972 /nfs/dbraw/zinc/22/59/72/693225972.db2.gz ZIODIBOYXXPCHP-WDSOQIARSA-N 1 3 321.509 2.094 20 0 DEADHO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000925316884 693255149 /nfs/dbraw/zinc/25/51/49/693255149.db2.gz IZRLLDRSJSSKRT-JKSUJKDBSA-N 1 3 312.502 2.088 20 0 DEADHO c1cc(CN2CCC(N[C@@H]3CC[NH2+]C34CCCC4)CC2)ccn1 ZINC000925477645 693279218 /nfs/dbraw/zinc/27/92/18/693279218.db2.gz FYSYMBGTMGQRLX-GOSISDBHSA-N 1 3 314.477 2.310 20 0 DEADHO CC1(C)[C@H]([NH2+]CCCN2CCCCCC2=O)[C@@H]2CCCN[C@@H]21 ZINC000925510551 693286378 /nfs/dbraw/zinc/28/63/78/693286378.db2.gz WWWAYEXZOYTCSG-HYVNUMGLSA-N 1 3 307.482 2.145 20 0 DEADHO c1c(CCN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)nc2n1CCS2 ZINC000925650025 693317030 /nfs/dbraw/zinc/31/70/30/693317030.db2.gz QYRUMTATQQBEDS-CVEARBPZSA-N 1 3 320.506 2.289 20 0 DEADHO c1c(CC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)nc2n1CCS2 ZINC000925650025 693317036 /nfs/dbraw/zinc/31/70/36/693317036.db2.gz QYRUMTATQQBEDS-CVEARBPZSA-N 1 3 320.506 2.289 20 0 DEADHO CC(=O)NCc1ccc(CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925711215 693328243 /nfs/dbraw/zinc/32/82/43/693328243.db2.gz DXNWWMQEHHXMBD-IAGOWNOFSA-N 1 3 303.450 2.318 20 0 DEADHO CCOC(=O)C1=CC[C@H](N[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925717185 693329457 /nfs/dbraw/zinc/32/94/57/693329457.db2.gz AJCVZZJUSGPCFB-GVDBMIGSSA-N 1 3 306.450 2.396 20 0 DEADHO COC[C@H](NCCN1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000925812278 693346184 /nfs/dbraw/zinc/34/61/84/693346184.db2.gz NQDJOMSDODGVLY-INIZCTEOSA-N 1 3 311.857 2.040 20 0 DEADHO c1cnc2c(c1)CCC[C@@H]2N[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000925871889 693357442 /nfs/dbraw/zinc/35/74/42/693357442.db2.gz LDDWNQOWYFFSKQ-VVLHAWIVSA-N 1 3 301.434 2.206 20 0 DEADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccnnc1 ZINC000926693653 693493646 /nfs/dbraw/zinc/49/36/46/693493646.db2.gz NFGYOVCPTVXSEL-HNNXBMFYSA-N 1 3 311.433 2.434 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccnn1-c1ccccc1 ZINC000926878869 693523597 /nfs/dbraw/zinc/52/35/97/693523597.db2.gz LXMVQOKXYAXFEN-MCPYQZEQSA-N 1 3 310.445 2.345 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCC[N@H+](CCC3CC3)CC2)C1 ZINC001052712913 693601144 /nfs/dbraw/zinc/60/11/44/693601144.db2.gz PQTCNANISGDZIW-DOTOQJQBSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCC[N@@H+](CCC3CC3)CC2)C1 ZINC001052712913 693601145 /nfs/dbraw/zinc/60/11/45/693601145.db2.gz PQTCNANISGDZIW-DOTOQJQBSA-N 1 3 307.482 2.099 20 0 DEADHO CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001052954628 693655944 /nfs/dbraw/zinc/65/59/44/693655944.db2.gz PRWJBBZKOAMYGA-KRWDZBQOSA-N 1 3 303.450 2.352 20 0 DEADHO CC[N@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001052954628 693655947 /nfs/dbraw/zinc/65/59/47/693655947.db2.gz PRWJBBZKOAMYGA-KRWDZBQOSA-N 1 3 303.450 2.352 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053097363 693688783 /nfs/dbraw/zinc/68/87/83/693688783.db2.gz FBWONIPEZBMMJX-WBVHZDCISA-N 1 3 318.465 2.454 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053097363 693688785 /nfs/dbraw/zinc/68/87/85/693688785.db2.gz FBWONIPEZBMMJX-WBVHZDCISA-N 1 3 318.465 2.454 20 0 DEADHO CCOc1ccc(Cl)cc1CNCC1(O)CC[NH+](C)CC1 ZINC001414094215 1150815925 /nfs/dbraw/zinc/81/59/25/1150815925.db2.gz ZNFLIQCGKWPXJO-UHFFFAOYSA-N 1 3 312.841 2.285 20 0 DEADHO C[NH+](C)CCC(=O)N1CCC[C@@H]2CN(C/C=C\Cl)CC[C@@H]21 ZINC001402581613 1162400505 /nfs/dbraw/zinc/40/05/05/1162400505.db2.gz PGHAWKYXCMGDBH-VFXHQOSVSA-N 1 3 313.873 2.004 20 0 DEADHO C[C@@H](NC(=O)C(C)(C)N1CCCC1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001402771974 1162466856 /nfs/dbraw/zinc/46/68/56/1162466856.db2.gz VPXHBDODCNMKQE-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](NC(=O)C(C)(C)N1CCCC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001402771974 1162466859 /nfs/dbraw/zinc/46/68/59/1162466859.db2.gz VPXHBDODCNMKQE-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](NC(=O)C(C)(C)N1CCCC1)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001402771963 1162466909 /nfs/dbraw/zinc/46/69/09/1162466909.db2.gz VPXHBDODCNMKQE-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](NC(=O)C(C)(C)N1CCCC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001402771963 1162466913 /nfs/dbraw/zinc/46/69/13/1162466913.db2.gz VPXHBDODCNMKQE-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]CCC(C)(C)C ZINC001402777275 1162468401 /nfs/dbraw/zinc/46/84/01/1162468401.db2.gz XTWORJSEUZBQNU-CABCVRRESA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](CN(C)Cc1ccc(F)cc1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001379725951 1152681385 /nfs/dbraw/zinc/68/13/85/1152681385.db2.gz SRICVFMOSDMUOL-AWEZNQCLSA-N 1 3 321.440 2.104 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C[NH2+]CC1CC1)C1CC1)N1CCCCC1 ZINC001379922803 1152713845 /nfs/dbraw/zinc/71/38/45/1152713845.db2.gz SFYZKYRUVDXKCR-MSOLQXFVSA-N 1 3 321.509 2.391 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC001361807147 1152746451 /nfs/dbraw/zinc/74/64/51/1152746451.db2.gz UFUFICBDDHRCMA-BRWVUGGUSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC001361807147 1152746453 /nfs/dbraw/zinc/74/64/53/1152746453.db2.gz UFUFICBDDHRCMA-BRWVUGGUSA-N 1 3 309.498 2.486 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1(C)CC[NH+](CC(C)C)CC1 ZINC001380455411 1152814546 /nfs/dbraw/zinc/81/45/46/1152814546.db2.gz UMWYWHLWFIDJMU-UHFFFAOYSA-N 1 3 306.454 2.135 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CCCC1 ZINC001362185939 1152845200 /nfs/dbraw/zinc/84/52/00/1152845200.db2.gz FLJCBYJPXWSRKA-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCCC1 ZINC001362185939 1152845203 /nfs/dbraw/zinc/84/52/03/1152845203.db2.gz FLJCBYJPXWSRKA-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)N1Cc2ccc(CNC(=O)C3(C[NH+](C)C)CC3)cc2C1 ZINC001381071396 1152899687 /nfs/dbraw/zinc/89/96/87/1152899687.db2.gz XMRWPTNRVJSYKY-UHFFFAOYSA-N 1 3 315.461 2.369 20 0 DEADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NC[C@@H]3N(C)CCCC3(C)C)C[N@@H+]2C1 ZINC001362429233 1152902829 /nfs/dbraw/zinc/90/28/29/1152902829.db2.gz WRTCBPCESRDVBC-QZWWFDLISA-N 1 3 321.509 2.343 20 0 DEADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NC[C@@H]3N(C)CCCC3(C)C)C[N@H+]2C1 ZINC001362429233 1152902833 /nfs/dbraw/zinc/90/28/33/1152902833.db2.gz WRTCBPCESRDVBC-QZWWFDLISA-N 1 3 321.509 2.343 20 0 DEADHO CN(CC(=O)N[C@H]1CC[N@H+](CC2CC2)CC1(C)C)C1CCC1 ZINC001381145899 1152925924 /nfs/dbraw/zinc/92/59/24/1152925924.db2.gz WEZZQQWXIYFUHC-INIZCTEOSA-N 1 3 307.482 2.097 20 0 DEADHO CN(CC(=O)N[C@H]1CC[N@@H+](CC2CC2)CC1(C)C)C1CCC1 ZINC001381145899 1152925928 /nfs/dbraw/zinc/92/59/28/1152925928.db2.gz WEZZQQWXIYFUHC-INIZCTEOSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)CC1CC2(CCC2)C1 ZINC001381533886 1153112619 /nfs/dbraw/zinc/11/26/19/1153112619.db2.gz KDVOAZALBLIMQP-OAHLLOKOSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)CC1CC2(CCC2)C1 ZINC001381533886 1153112620 /nfs/dbraw/zinc/11/26/20/1153112620.db2.gz KDVOAZALBLIMQP-OAHLLOKOSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1ccc(F)cc1C[NH2+][C@@H](C)CN(C)C(=O)CN(C)C(C)C ZINC001382163120 1153384047 /nfs/dbraw/zinc/38/40/47/1153384047.db2.gz HGLPEDFGZQHSRK-HNNXBMFYSA-N 1 3 323.456 2.411 20 0 DEADHO CC(C)(C)OC(=O)N[C@H]1C[C@@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001363430427 1153398126 /nfs/dbraw/zinc/39/81/26/1153398126.db2.gz UYUOMTZHUFVVSN-APIJFGDWSA-N 1 3 309.454 2.259 20 0 DEADHO CC(C)(C)OC(=O)N[C@H]1C[C@@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC001363430427 1153398133 /nfs/dbraw/zinc/39/81/33/1153398133.db2.gz UYUOMTZHUFVVSN-APIJFGDWSA-N 1 3 309.454 2.259 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(F)c2)[C@H]1C ZINC001382313497 1153421304 /nfs/dbraw/zinc/42/13/04/1153421304.db2.gz UCRHYKZXZMPSFW-PBHICJAKSA-N 1 3 321.440 2.245 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC2CC3(CCC3)C2)C[C@@H]1C ZINC001382317680 1153421999 /nfs/dbraw/zinc/42/19/99/1153421999.db2.gz UGMNZQIGWVHYHR-DOTOQJQBSA-N 1 3 321.509 2.486 20 0 DEADHO OC1(C[NH+]2CCCCC2)CCN(C[C@@H]2CC3(CCC3)CO2)CC1 ZINC001363850953 1153668351 /nfs/dbraw/zinc/66/83/51/1153668351.db2.gz MJKNEUMFCHGCJD-KRWDZBQOSA-N 1 3 322.493 2.258 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@@H](C)[NH2+]CCC1CCCC1 ZINC001403010052 1162622633 /nfs/dbraw/zinc/62/26/33/1162622633.db2.gz MLCCAECTVNYARW-CHWSQXEVSA-N 1 3 306.454 2.324 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC12CC[NH+](CCC1CC1)CC2)N(C)C ZINC001389526667 1155362193 /nfs/dbraw/zinc/36/21/93/1155362193.db2.gz PCXMRPMCMJYRDT-IAGOWNOFSA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]([NH2+]CC1CCCCC1)C1CC1)N(C)C ZINC001389661020 1155390827 /nfs/dbraw/zinc/39/08/27/1155390827.db2.gz KOOYKIZHTLMHJC-IRXDYDNUSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@H](C(=O)NC[C@H]([NH2+]Cc1ccc(F)cc1)C1CC1)N(C)C ZINC001389689999 1155396504 /nfs/dbraw/zinc/39/65/04/1155396504.db2.gz KUUJEYIFCYMJNQ-DLBZAZTESA-N 1 3 321.440 2.150 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[N@@H+](C)CC[C@H](C)F)C1 ZINC001389749938 1155415324 /nfs/dbraw/zinc/41/53/24/1155415324.db2.gz XBGLYIZYFUSTIU-JKSUJKDBSA-N 1 3 315.477 2.245 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[N@H+](C)CC[C@H](C)F)C1 ZINC001389749938 1155415329 /nfs/dbraw/zinc/41/53/29/1155415329.db2.gz XBGLYIZYFUSTIU-JKSUJKDBSA-N 1 3 315.477 2.245 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCc3ccccc32)C1)N(C)C ZINC001389891873 1155464370 /nfs/dbraw/zinc/46/43/70/1155464370.db2.gz ZSRJICSEKNRGAJ-AHCXZYCDSA-N 1 3 315.461 2.251 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CCc1ccccc1F)N(C)C ZINC001390510614 1155776960 /nfs/dbraw/zinc/77/69/60/1155776960.db2.gz RDLIDTYNCIMVCN-WMLDXEAASA-N 1 3 323.456 2.049 20 0 DEADHO C[C@@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)NC/C=C\Cl ZINC001371360267 1155833317 /nfs/dbraw/zinc/83/33/17/1155833317.db2.gz CGBYENOZJZBTAK-IUZNHRGFSA-N 1 3 323.868 2.251 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC1CCCCCC1 ZINC001371362587 1155833894 /nfs/dbraw/zinc/83/38/94/1155833894.db2.gz JXUSFUZPHFYEMZ-JKSUJKDBSA-N 1 3 309.498 2.393 20 0 DEADHO COc1cccc([C@@H](C)[NH2+]CCN(C)C(=O)CN(C)C(C)C)c1 ZINC001391226151 1156265083 /nfs/dbraw/zinc/26/50/83/1156265083.db2.gz MADNKUMKHJYHCQ-OAHLLOKOSA-N 1 3 321.465 2.144 20 0 DEADHO Cc1cccc(C)c1C[N@@H+](C)CCNC(=O)CN(C)C(C)C ZINC001372233326 1156319023 /nfs/dbraw/zinc/31/90/23/1156319023.db2.gz BATUCPWBNVHJRV-UHFFFAOYSA-N 1 3 305.466 2.192 20 0 DEADHO Cc1cccc(C)c1C[N@H+](C)CCNC(=O)CN(C)C(C)C ZINC001372233326 1156319027 /nfs/dbraw/zinc/31/90/27/1156319027.db2.gz BATUCPWBNVHJRV-UHFFFAOYSA-N 1 3 305.466 2.192 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1)N(C)C ZINC001372627563 1156616573 /nfs/dbraw/zinc/61/65/73/1156616573.db2.gz OIXJGFLCZJPHNM-ZWKOTPCHSA-N 1 3 317.477 2.273 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1)N(C)C ZINC001372627563 1156616590 /nfs/dbraw/zinc/61/65/90/1156616590.db2.gz OIXJGFLCZJPHNM-ZWKOTPCHSA-N 1 3 317.477 2.273 20 0 DEADHO Cc1cccc(CN2CC[C@H](N(C)C(=O)CCC[NH+](C)C)C2)c1 ZINC001391627944 1156617007 /nfs/dbraw/zinc/61/70/07/1156617007.db2.gz DFUBRYVBDCANAM-SFHVURJKSA-N 1 3 317.477 2.370 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2csc(C)c2)C1)N(C)C ZINC001372664180 1156650938 /nfs/dbraw/zinc/65/09/38/1156650938.db2.gz UZFMKVNFDYAWDO-ZBFHGGJFSA-N 1 3 323.506 2.335 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2csc(C)c2)C1)N(C)C ZINC001372664180 1156650954 /nfs/dbraw/zinc/65/09/54/1156650954.db2.gz UZFMKVNFDYAWDO-ZBFHGGJFSA-N 1 3 323.506 2.335 20 0 DEADHO CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1cccc(F)c1 ZINC001391733035 1156755156 /nfs/dbraw/zinc/75/51/56/1156755156.db2.gz BEICMMMPFJZVKE-IAGOWNOFSA-N 1 3 323.456 2.396 20 0 DEADHO CN(C)C1(C(=O)NCCC2CC[NH+](CC3CCC3)CC2)CCC1 ZINC001391842779 1156814662 /nfs/dbraw/zinc/81/46/62/1156814662.db2.gz PKHNAGMTNOUMBS-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001372966692 1156829857 /nfs/dbraw/zinc/82/98/57/1156829857.db2.gz GYIRLIROZGPDJG-QGZVFWFLSA-N 1 3 321.440 2.203 20 0 DEADHO CN(C)C1(C(=O)N(C)CC[N@H+](C)CCc2ccccc2)CCC1 ZINC001392279787 1156972353 /nfs/dbraw/zinc/97/23/53/1156972353.db2.gz CRDFZXKGFBBHCR-UHFFFAOYSA-N 1 3 317.477 2.104 20 0 DEADHO CN(C)C1(C(=O)N(C)CC[N@@H+](C)CCc2ccccc2)CCC1 ZINC001392279787 1156972362 /nfs/dbraw/zinc/97/23/62/1156972362.db2.gz CRDFZXKGFBBHCR-UHFFFAOYSA-N 1 3 317.477 2.104 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccccc1C)N(C)C ZINC001392508221 1157081528 /nfs/dbraw/zinc/08/15/28/1157081528.db2.gz BRFLIZGQSQABBX-VYDXJSESSA-N 1 3 305.466 2.491 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001373648806 1157207300 /nfs/dbraw/zinc/20/73/00/1157207300.db2.gz QBJBVQUJVANHKS-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001373648806 1157207314 /nfs/dbraw/zinc/20/73/14/1157207314.db2.gz QBJBVQUJVANHKS-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO C[C@@H](CN(C)Cc1cccc(F)c1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001392684638 1157335235 /nfs/dbraw/zinc/33/52/35/1157335235.db2.gz KDFQDJKZLADNDZ-GJZGRUSLSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@@H](CN(C)Cc1cccc(F)c1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001392684638 1157335243 /nfs/dbraw/zinc/33/52/43/1157335243.db2.gz KDFQDJKZLADNDZ-GJZGRUSLSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@@H](CN(C)Cc1cc2ccccc2o1)NC(=O)CC[NH+](C)C ZINC001392686538 1157336000 /nfs/dbraw/zinc/33/60/00/1157336000.db2.gz HNAQDFCFUCYIKW-AWEZNQCLSA-N 1 3 317.433 2.321 20 0 DEADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccccc1F ZINC001373758277 1157344511 /nfs/dbraw/zinc/34/45/11/1157344511.db2.gz MFYZVGPAPWIMBC-HNNXBMFYSA-N 1 3 321.440 2.294 20 0 DEADHO CCC(CC)C[NH+]1CC([C@@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001403342725 1162856723 /nfs/dbraw/zinc/85/67/23/1162856723.db2.gz CUNWCWMGBCLOBN-GFCCVEGCSA-N 1 3 306.454 2.133 20 0 DEADHO Cc1cccc(CN(C)C[C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001392717528 1157366998 /nfs/dbraw/zinc/36/69/98/1157366998.db2.gz AIPJCAUQFJKTDA-AEFFLSMTSA-N 1 3 317.477 2.273 20 0 DEADHO Cc1cccc(CN(C)C[C@@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001392717528 1157367005 /nfs/dbraw/zinc/36/70/05/1157367005.db2.gz AIPJCAUQFJKTDA-AEFFLSMTSA-N 1 3 317.477 2.273 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C2CC2)cc1 ZINC001392800291 1157424580 /nfs/dbraw/zinc/42/45/80/1157424580.db2.gz LOLGWGMSHHBZHK-GOSISDBHSA-N 1 3 317.477 2.320 20 0 DEADHO Cc1cc(CNC2(CNC(=O)CC[NH+](C)C)CC2)c(C)s1 ZINC001392926630 1157544330 /nfs/dbraw/zinc/54/43/30/1157544330.db2.gz DWOUCCFCUFACGH-UHFFFAOYSA-N 1 3 309.479 2.055 20 0 DEADHO Cc1cccc(C[NH2+][C@H](C)CCNC(=O)C2(N(C)C)CCC2)c1 ZINC001403410796 1162875332 /nfs/dbraw/zinc/87/53/32/1162875332.db2.gz PWPUGKWFSWHLJR-MRXNPFEDSA-N 1 3 317.477 2.464 20 0 DEADHO Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)CN2CC[C@@H](C)C2)cs1 ZINC001374280017 1157800420 /nfs/dbraw/zinc/80/04/20/1157800420.db2.gz KOZPVCNNFCDNRC-ZIAGYGMSSA-N 1 3 323.506 2.335 20 0 DEADHO C[C@@H]([NH2+]CCC1CC1)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001393391087 1157818499 /nfs/dbraw/zinc/81/84/99/1157818499.db2.gz POUIAOXHXOVMKR-AEFFLSMTSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC001393403684 1157822199 /nfs/dbraw/zinc/82/21/99/1157822199.db2.gz ZLSBGSYWBFSIFV-WMZOPIPTSA-N 1 3 317.477 2.211 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1cccc(F)c1)N(C)C ZINC001393804460 1157998862 /nfs/dbraw/zinc/99/88/62/1157998862.db2.gz UFBPWGBRVZJHHE-YOEHRIQHSA-N 1 3 323.456 2.396 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CC1CC1 ZINC001394024042 1158172140 /nfs/dbraw/zinc/17/21/40/1158172140.db2.gz BQEOUGTXHRRPFS-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)Cc1ccc(F)cc1 ZINC001394120477 1158312737 /nfs/dbraw/zinc/31/27/37/1158312737.db2.gz CHXHZFODKDDOLH-GDBMZVCRSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)Cc1ccc(F)cc1 ZINC001394120477 1158312746 /nfs/dbraw/zinc/31/27/46/1158312746.db2.gz CHXHZFODKDDOLH-GDBMZVCRSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@@H](C[N@H+](C)CC1CCCCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001375102867 1158317287 /nfs/dbraw/zinc/31/72/87/1158317287.db2.gz MICLTAPKZWSYTH-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](C[N@@H+](C)CC1CCCCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001375102867 1158317294 /nfs/dbraw/zinc/31/72/94/1158317294.db2.gz MICLTAPKZWSYTH-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCc1ccc(C)cc1)N(C)C ZINC001375132702 1158342018 /nfs/dbraw/zinc/34/20/18/1158342018.db2.gz AXOLHZPKFKEWDZ-FUHWJXTLSA-N 1 3 319.493 2.314 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCc1ccc(C)cc1)N(C)C ZINC001375132702 1158342024 /nfs/dbraw/zinc/34/20/24/1158342024.db2.gz AXOLHZPKFKEWDZ-FUHWJXTLSA-N 1 3 319.493 2.314 20 0 DEADHO CC(C)(C)CC[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001375337338 1158504592 /nfs/dbraw/zinc/50/45/92/1158504592.db2.gz SXLXGKSKSHNMES-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)(C)CC[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001375337338 1158504603 /nfs/dbraw/zinc/50/46/03/1158504603.db2.gz SXLXGKSKSHNMES-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001394494910 1158586483 /nfs/dbraw/zinc/58/64/83/1158586483.db2.gz JKUWPGROWIINHR-DOTOQJQBSA-N 1 3 305.466 2.272 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CCCC2)CC1 ZINC001375424635 1158592438 /nfs/dbraw/zinc/59/24/38/1158592438.db2.gz HZTOSXFIXIWLCV-MRXNPFEDSA-N 1 3 307.482 2.289 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccccc2C)C[C@H]1C ZINC001394665179 1158660371 /nfs/dbraw/zinc/66/03/71/1158660371.db2.gz CDVIDUUBDCAMQI-SJLPKXTDSA-N 1 3 317.477 2.416 20 0 DEADHO CCc1ccccc1CN1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001375480808 1158743978 /nfs/dbraw/zinc/74/39/78/1158743978.db2.gz XBVXMZFGSFKIFE-SFHVURJKSA-N 1 3 317.477 2.233 20 0 DEADHO C[C@H](N[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1)c1ccccc1F ZINC001375504718 1158779355 /nfs/dbraw/zinc/77/93/55/1158779355.db2.gz ZETGFJZWERDPSO-SOUVJXGZSA-N 1 3 321.440 2.323 20 0 DEADHO CC(C)N(CC[N@H+](C)CC1CCCC1)C(=O)[C@H]1CCCN1C ZINC001394801559 1158784783 /nfs/dbraw/zinc/78/47/83/1158784783.db2.gz LUPZWVZOQTZJNE-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(CC[N@@H+](C)CC1CCCC1)C(=O)[C@H]1CCCN1C ZINC001394801559 1158784794 /nfs/dbraw/zinc/78/47/94/1158784794.db2.gz LUPZWVZOQTZJNE-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@H](F)CC)C1 ZINC001375538717 1158806699 /nfs/dbraw/zinc/80/66/99/1158806699.db2.gz OARQOBOQAOLNJI-FPCVCCKLSA-N 1 3 313.461 2.093 20 0 DEADHO CC[C@@H](F)C[NH+]1CCC(C)(CNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001375927383 1158990075 /nfs/dbraw/zinc/99/00/75/1158990075.db2.gz ZWWXMTSJKMHOAM-HUUCEWRRSA-N 1 3 315.477 2.293 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(CCc2cccs2)C1 ZINC001376075787 1159088182 /nfs/dbraw/zinc/08/81/82/1159088182.db2.gz RQBWXCQGFKFJGM-OAHLLOKOSA-N 1 3 323.506 2.213 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(CCc2cccs2)C1 ZINC001376075787 1159088192 /nfs/dbraw/zinc/08/81/92/1159088192.db2.gz RQBWXCQGFKFJGM-OAHLLOKOSA-N 1 3 323.506 2.213 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC1CC1)C2 ZINC001376315051 1159332787 /nfs/dbraw/zinc/33/27/87/1159332787.db2.gz PZVBLCMKCLEKHL-ULQDDVLXSA-N 1 3 307.482 2.097 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC1CC1)C2 ZINC001376315051 1159332796 /nfs/dbraw/zinc/33/27/96/1159332796.db2.gz PZVBLCMKCLEKHL-ULQDDVLXSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C2(N(C)C)CCC2)cc1 ZINC001403591423 1163028573 /nfs/dbraw/zinc/02/85/73/1163028573.db2.gz UBVJYPUQPDKSKB-MRXNPFEDSA-N 1 3 317.477 2.416 20 0 DEADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1)CC(C)(C)C ZINC001376396804 1159385429 /nfs/dbraw/zinc/38/54/29/1159385429.db2.gz KWQQLDPQQLMDBL-SHTZXODSSA-N 1 3 323.506 2.463 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2C)C1)N(C)C ZINC001376488733 1159473362 /nfs/dbraw/zinc/47/33/62/1159473362.db2.gz LWXOVAIXWGXNDC-IXDOHACOSA-N 1 3 321.440 2.211 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCc1ccccc1F ZINC001376716960 1159719336 /nfs/dbraw/zinc/71/93/36/1159719336.db2.gz KRYKNMZQZVVBOY-YOEHRIQHSA-N 1 3 321.440 2.293 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCc1ccccc1F ZINC001376716960 1159719342 /nfs/dbraw/zinc/71/93/42/1159719342.db2.gz KRYKNMZQZVVBOY-YOEHRIQHSA-N 1 3 321.440 2.293 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]C/C(Cl)=C\Cl)C1)N(C)C ZINC001376955078 1159855400 /nfs/dbraw/zinc/85/54/00/1159855400.db2.gz VFXDAERMPYNQJD-KGBWWEOFSA-N 1 3 322.280 2.084 20 0 DEADHO CN(CCC[N@H+](C)CCCC1CCC1)C(=O)[C@H]1CCCN1C ZINC001376962359 1159857492 /nfs/dbraw/zinc/85/74/92/1159857492.db2.gz DKWIAYQRVIAJJD-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CN(CCC[N@@H+](C)CCCC1CCC1)C(=O)[C@H]1CCCN1C ZINC001376962359 1159857494 /nfs/dbraw/zinc/85/74/94/1159857494.db2.gz DKWIAYQRVIAJJD-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001376964399 1159858121 /nfs/dbraw/zinc/85/81/21/1159858121.db2.gz FKTOQSVKUZFZPA-QWHCGFSZSA-N 1 3 321.387 2.004 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@H](C)[NH2+]CC=C(Cl)Cl ZINC001377103717 1159901754 /nfs/dbraw/zinc/90/17/54/1159901754.db2.gz DWVGEVVGCPTDQZ-NSHDSACASA-N 1 3 310.269 2.130 20 0 DEADHO C[C@H](c1ccccc1)N(C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001377151489 1159988900 /nfs/dbraw/zinc/98/89/00/1159988900.db2.gz FKDDGJQHYSMOAW-QAPCUYQASA-N 1 3 315.461 2.137 20 0 DEADHO CC(C)(C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC2)C1)N1CCCCC1 ZINC001397118677 1160000927 /nfs/dbraw/zinc/00/09/27/1160000927.db2.gz CZRTWCLIRHUWKR-WKILWMFISA-N 1 3 307.482 2.145 20 0 DEADHO C[C@@H](F)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001397266000 1160094768 /nfs/dbraw/zinc/09/47/68/1160094768.db2.gz WIPWOWIYKOPWKC-HIFRSBDPSA-N 1 3 310.417 2.013 20 0 DEADHO C[C@@H](F)CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001397266000 1160094777 /nfs/dbraw/zinc/09/47/77/1160094777.db2.gz WIPWOWIYKOPWKC-HIFRSBDPSA-N 1 3 310.417 2.013 20 0 DEADHO Cc1ccc(C)c(CN(C)CCNC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001403729097 1163117193 /nfs/dbraw/zinc/11/71/93/1163117193.db2.gz FUTBYFCKLYDLCG-KRWDZBQOSA-N 1 3 317.477 2.193 20 0 DEADHO Cc1ccc(C)c(CN(C)CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001403729097 1163117206 /nfs/dbraw/zinc/11/72/06/1163117206.db2.gz FUTBYFCKLYDLCG-KRWDZBQOSA-N 1 3 317.477 2.193 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](CC[C@H](C)F)C1CC1 ZINC001377565220 1160549104 /nfs/dbraw/zinc/54/91/04/1160549104.db2.gz AILZKFJDRITZIG-GOEBONIOSA-N 1 3 313.461 2.190 20 0 DEADHO CC[C@@H](C(=O)N1CCC([C@@H](C)[NH2+]CCC2CC2)CC1)N(C)C ZINC001377602678 1160578995 /nfs/dbraw/zinc/57/89/95/1160578995.db2.gz BYKHNKYAYPIUOQ-PBHICJAKSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]([NH2+]CC2CC2)c2ccccc2)C1 ZINC001377613406 1160589998 /nfs/dbraw/zinc/58/99/98/1160589998.db2.gz MOAFJWONLQZOQK-QAPCUYQASA-N 1 3 315.461 2.185 20 0 DEADHO CC[C@@H](F)C[N@@H+]1CC[C@@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001377701547 1160750750 /nfs/dbraw/zinc/75/07/50/1160750750.db2.gz QMIZZNZGXXAFCB-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@@H](F)C[N@H+]1CC[C@@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001377701547 1160750754 /nfs/dbraw/zinc/75/07/54/1160750754.db2.gz QMIZZNZGXXAFCB-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2F)[C@H]1C ZINC001403762919 1163149199 /nfs/dbraw/zinc/14/91/99/1163149199.db2.gz GLYNWUQCFAXDHQ-RHSMWYFYSA-N 1 3 321.440 2.247 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001377724241 1160788973 /nfs/dbraw/zinc/78/89/73/1160788973.db2.gz KCMGVOWOWXLUOE-ZDUSSCGKSA-N 1 3 323.403 2.107 20 0 DEADHO CC1CC(C[NH2+][C@@H](CNC(=O)C2(N(C)C)CCC2)C2CC2)C1 ZINC001398396560 1160875978 /nfs/dbraw/zinc/87/59/78/1160875978.db2.gz FFNRNSUDWYIIDU-XUJLQICISA-N 1 3 307.482 2.001 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC001492873488 1160948620 /nfs/dbraw/zinc/94/86/20/1160948620.db2.gz IIVMEBNUFOOSOK-IRXDYDNUSA-N 1 3 317.477 2.416 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001398590992 1161006053 /nfs/dbraw/zinc/00/60/53/1161006053.db2.gz ZHQRNPKRKUJHNC-SJORKVTESA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001398590992 1161006063 /nfs/dbraw/zinc/00/60/63/1161006063.db2.gz ZHQRNPKRKUJHNC-SJORKVTESA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCC2CC2)C1)N1CCCCC1 ZINC001378090024 1161010425 /nfs/dbraw/zinc/01/04/25/1161010425.db2.gz SMHRGSGLFZMTHN-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CCC2CC2)C1)N1CCCCC1 ZINC001378090024 1161010434 /nfs/dbraw/zinc/01/04/34/1161010434.db2.gz SMHRGSGLFZMTHN-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)N1CCCC1 ZINC001398704021 1161065797 /nfs/dbraw/zinc/06/57/97/1161065797.db2.gz YXFOQPAHVLVLCC-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)N1CCCC1 ZINC001398704021 1161065802 /nfs/dbraw/zinc/06/58/02/1161065802.db2.gz YXFOQPAHVLVLCC-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO Cc1cc(F)ccc1C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001399100008 1161230989 /nfs/dbraw/zinc/23/09/89/1161230989.db2.gz LZLSCSZQOUPNRX-PBHICJAKSA-N 1 3 323.456 2.315 20 0 DEADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@@H](C)c1cccc(F)c1 ZINC001399831553 1161581718 /nfs/dbraw/zinc/58/17/18/1161581718.db2.gz VFLQPZOGEHIDFT-GOEBONIOSA-N 1 3 321.440 2.277 20 0 DEADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H](C)c1cccc(F)c1 ZINC001399831553 1161581721 /nfs/dbraw/zinc/58/17/21/1161581721.db2.gz VFLQPZOGEHIDFT-GOEBONIOSA-N 1 3 321.440 2.277 20 0 DEADHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCC1CCCC1 ZINC001400850621 1161834228 /nfs/dbraw/zinc/83/42/28/1161834228.db2.gz IRNLECOVHAIXKO-RDJZCZTQSA-N 1 3 309.498 2.393 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+][C@H](C)c1ccccc1 ZINC001401146242 1161882491 /nfs/dbraw/zinc/88/24/91/1161882491.db2.gz FUCHXVYMRCNCCJ-UONOGXRCSA-N 1 3 314.433 2.364 20 0 DEADHO C[C@@H](CNCc1ccccc1F)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001401236030 1161900763 /nfs/dbraw/zinc/90/07/63/1161900763.db2.gz GBWMXFAYTMJJHZ-AWEZNQCLSA-N 1 3 321.440 2.104 20 0 DEADHO CC(C)[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CCC1CC1 ZINC001401341890 1161938886 /nfs/dbraw/zinc/93/88/86/1161938886.db2.gz UMDMCHHNAMDNRU-INIZCTEOSA-N 1 3 309.498 2.391 20 0 DEADHO CC1CCC(C[N@H+](C)CCN(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC001401360400 1161950784 /nfs/dbraw/zinc/95/07/84/1161950784.db2.gz YFBVTYODPUSIPJ-JCYILVPMSA-N 1 3 309.498 2.297 20 0 DEADHO CC1CCC(C[N@@H+](C)CCN(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC001401360400 1161950791 /nfs/dbraw/zinc/95/07/91/1161950791.db2.gz YFBVTYODPUSIPJ-JCYILVPMSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[N@H+](C)C/C=C\c1ccccc1)N(C)C ZINC001401751921 1162108986 /nfs/dbraw/zinc/10/89/86/1162108986.db2.gz HPIQVEOEHOENRP-UDZWXDPDSA-N 1 3 317.477 2.477 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[N@@H+](C)C/C=C\c1ccccc1)N(C)C ZINC001401751921 1162108988 /nfs/dbraw/zinc/10/89/88/1162108988.db2.gz HPIQVEOEHOENRP-UDZWXDPDSA-N 1 3 317.477 2.477 20 0 DEADHO CN(C)C1(C(=O)N[C@@H](C[NH2+]Cc2ccsc2)C2CC2)CCC1 ZINC001401843474 1162151643 /nfs/dbraw/zinc/15/16/43/1162151643.db2.gz SNRBMSQAKWSNGC-HNNXBMFYSA-N 1 3 321.490 2.217 20 0 DEADHO CC[C@H](F)CN1CC[C@]2(CCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001402015582 1162217106 /nfs/dbraw/zinc/21/71/06/1162217106.db2.gz RNGFLEBUNSMFDS-RDJZCZTQSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@H](F)CN1CC[C@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001402015582 1162217110 /nfs/dbraw/zinc/21/71/10/1162217110.db2.gz RNGFLEBUNSMFDS-RDJZCZTQSA-N 1 3 313.461 2.001 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@H+](C)CC1CCC(F)(F)CC1 ZINC001403796416 1163197012 /nfs/dbraw/zinc/19/70/12/1163197012.db2.gz XINHXNKBCIVYDA-UHFFFAOYSA-N 1 3 319.440 2.200 20 0 DEADHO CN(CC(=O)NCC[C@H]1CC[N@H+](CC2CC2)C1)CC(C)(C)C ZINC001404513787 1163690767 /nfs/dbraw/zinc/69/07/67/1163690767.db2.gz KVNKSEPBNCUBRP-INIZCTEOSA-N 1 3 309.498 2.203 20 0 DEADHO CN(CC(=O)NCC[C@H]1CC[N@@H+](CC2CC2)C1)CC(C)(C)C ZINC001404513787 1163690769 /nfs/dbraw/zinc/69/07/69/1163690769.db2.gz KVNKSEPBNCUBRP-INIZCTEOSA-N 1 3 309.498 2.203 20 0 DEADHO CC[C@H](C(=O)NCC1C[NH+](Cc2c(C)cccc2C)C1)N(C)C ZINC001404917509 1163859271 /nfs/dbraw/zinc/85/92/71/1163859271.db2.gz CJTAOIRGRUIJAT-GOSISDBHSA-N 1 3 317.477 2.192 20 0 DEADHO CC[NH2+]CC1(NC(=O)c2cccc(CN(C)C)c2)CCCC1 ZINC001405410682 1164077812 /nfs/dbraw/zinc/07/78/12/1164077812.db2.gz WWWRDMTYECCGRB-UHFFFAOYSA-N 1 3 303.450 2.400 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001405732641 1164208201 /nfs/dbraw/zinc/20/82/01/1164208201.db2.gz NQKDGEQQWUEDMZ-GDBMZVCRSA-N 1 3 309.498 2.249 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001405802857 1164249563 /nfs/dbraw/zinc/24/95/63/1164249563.db2.gz ZJPFPPAIISJYSU-YOEHRIQHSA-N 1 3 321.440 2.165 20 0 DEADHO C[C@@H](C[NH2+]CC1CC1)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001405871785 1164303697 /nfs/dbraw/zinc/30/36/97/1164303697.db2.gz RRWDSEDGOZIKDQ-GUYCJALGSA-N 1 3 313.461 2.045 20 0 DEADHO Cc1cc(C[NH2+]C[C@H](C)N(C)C(=O)CN2CCCC2)c(C)s1 ZINC001405885127 1164311415 /nfs/dbraw/zinc/31/14/15/1164311415.db2.gz INWLTKPBWLOMER-ZDUSSCGKSA-N 1 3 323.506 2.397 20 0 DEADHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1csc(C)c1)N(C)C ZINC001405886507 1164312298 /nfs/dbraw/zinc/31/22/98/1164312298.db2.gz GYQQRGHHECZJFV-IUODEOHRSA-N 1 3 311.495 2.333 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001406223700 1164508876 /nfs/dbraw/zinc/50/88/76/1164508876.db2.gz XAFWXLFOUZHSQO-JKSUJKDBSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCc2ccc(F)cc21)N(C)C ZINC001406529498 1164657936 /nfs/dbraw/zinc/65/79/36/1164657936.db2.gz MMWDJUSRXKKYPB-ZLIFDBKOSA-N 1 3 321.440 2.248 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]C/C=C/Cl)[C@@H](CC)C1 ZINC001406811079 1164837384 /nfs/dbraw/zinc/83/73/84/1164837384.db2.gz PXSYXLXHIPBAQF-ODYMAQSMSA-N 1 3 315.889 2.297 20 0 DEADHO CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001407258839 1165070858 /nfs/dbraw/zinc/07/08/58/1165070858.db2.gz NGTWVSWEDNQQHI-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+](CCNC(=O)CN(C)C1CCC1)Cc1ccc(C)cc1 ZINC001492967679 1165315174 /nfs/dbraw/zinc/31/51/74/1165315174.db2.gz OIEHQJIRQHLGHD-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO CC[N@@H+](CCNC(=O)CN(C)C1CCC1)Cc1ccc(C)cc1 ZINC001492967679 1165315182 /nfs/dbraw/zinc/31/51/82/1165315182.db2.gz OIEHQJIRQHLGHD-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@H]1CCCN(CCC(F)(F)F)CC1 ZINC001407851872 1165345210 /nfs/dbraw/zinc/34/52/10/1165345210.db2.gz PCSVAPRWWPWWMT-ZDUSSCGKSA-N 1 3 323.403 2.251 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001417962410 1167330510 /nfs/dbraw/zinc/33/05/10/1167330510.db2.gz NYFQFYYPRXYURM-SMGNDMQFSA-N 1 3 313.873 2.051 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCC1CC1)C1CC1 ZINC001417975800 1167339445 /nfs/dbraw/zinc/33/94/45/1167339445.db2.gz GRITWLIMNNGCLI-IAGOWNOFSA-N 1 3 307.482 2.144 20 0 DEADHO C[C@H](C(=O)NC[C@H]([NH2+]CC1CC1)C1CC1)N1CCCCCC1 ZINC001417999680 1167354841 /nfs/dbraw/zinc/35/48/41/1167354841.db2.gz PWOOFXQUTFGBPS-PBHICJAKSA-N 1 3 307.482 2.145 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001418074461 1167396546 /nfs/dbraw/zinc/39/65/46/1167396546.db2.gz KLORMDCJXDMOHP-HGQRNUMOSA-N 1 3 324.428 2.211 20 0 DEADHO CCc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001418105487 1167413266 /nfs/dbraw/zinc/41/32/66/1167413266.db2.gz YVHPYYYWGCBXOJ-KSZLIROESA-N 1 3 317.477 2.326 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCc1cccs1 ZINC001418229427 1167505843 /nfs/dbraw/zinc/50/58/43/1167505843.db2.gz KUFPMSHKQRSCQJ-HOCLYGCPSA-N 1 3 323.506 2.259 20 0 DEADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccsc1 ZINC001418403584 1167629549 /nfs/dbraw/zinc/62/95/49/1167629549.db2.gz RUJKXMTZVVGNTC-CYBMUJFWSA-N 1 3 309.479 2.217 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)CCc1cccs1 ZINC001418464709 1167678381 /nfs/dbraw/zinc/67/83/81/1167678381.db2.gz ZOYWNKMWJRUNLZ-MRXNPFEDSA-N 1 3 323.506 2.213 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(C)CCc1cccs1 ZINC001418464709 1167678386 /nfs/dbraw/zinc/67/83/86/1167678386.db2.gz ZOYWNKMWJRUNLZ-MRXNPFEDSA-N 1 3 323.506 2.213 20 0 DEADHO C[C@H](F)CCN1CC[C@H]1CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001418601006 1167836273 /nfs/dbraw/zinc/83/62/73/1167836273.db2.gz INZCCVNJBOKRNT-HOTGVXAUSA-N 1 3 313.461 2.143 20 0 DEADHO Cc1cc(C)cc(CN2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001418952096 1168092705 /nfs/dbraw/zinc/09/27/05/1168092705.db2.gz PCHUSVGTTHSWJS-GOSISDBHSA-N 1 3 317.477 2.336 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccns2)CCCC1)N(C)C ZINC001419617744 1168690961 /nfs/dbraw/zinc/69/09/61/1168690961.db2.gz VRLUASSSCKLCQH-AWEZNQCLSA-N 1 3 324.494 2.002 20 0 DEADHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(F)c1)N(C)C ZINC001419689842 1168803593 /nfs/dbraw/zinc/80/35/93/1168803593.db2.gz ZZKLXNSBPHAMEJ-XJKSGUPXSA-N 1 3 309.429 2.102 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cncs2)C1 ZINC001420018849 1169066483 /nfs/dbraw/zinc/06/64/83/1169066483.db2.gz KARXRVNYCRKYHK-UONOGXRCSA-N 1 3 324.494 2.002 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001420120187 1169176640 /nfs/dbraw/zinc/17/66/40/1169176640.db2.gz NDBYITFVPMEHAY-SJORKVTESA-N 1 3 309.498 2.393 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC1CC(F)(F)C1 ZINC001420376415 1169430978 /nfs/dbraw/zinc/43/09/78/1169430978.db2.gz JTHVDMFWGPGKQH-TZMCWYRMSA-N 1 3 317.424 2.000 20 0 DEADHO CC(C)[C@H](C(=O)NCCN1CCC(C)(C)C1)[NH+]1CCCCC1 ZINC001420571225 1169805207 /nfs/dbraw/zinc/80/52/07/1169805207.db2.gz OPWNWJRARQRDGI-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](F)CC[N@H+](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001420630686 1169840996 /nfs/dbraw/zinc/84/09/96/1169840996.db2.gz HTQPSKLRRHAGGK-KBPBESRZSA-N 1 3 303.466 2.149 20 0 DEADHO C[C@H](F)CC[N@@H+](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001420630686 1169841001 /nfs/dbraw/zinc/84/10/01/1169841001.db2.gz HTQPSKLRRHAGGK-KBPBESRZSA-N 1 3 303.466 2.149 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1cccc(F)c1)C1CC1)N(C)C ZINC001420783822 1171152706 /nfs/dbraw/zinc/15/27/06/1171152706.db2.gz KZMSSLYASKWYDQ-DLBZAZTESA-N 1 3 321.440 2.150 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]Cc1ccccc1F)C1CC1 ZINC001420801489 1171173945 /nfs/dbraw/zinc/17/39/45/1171173945.db2.gz UPUFTBQUBVKOGM-QGZVFWFLSA-N 1 3 321.440 2.150 20 0 DEADHO Cc1ccc(CNC2(CNC(=O)CCC[NH+](C)C)CC2)cc1F ZINC001420975539 1171392831 /nfs/dbraw/zinc/39/28/31/1171392831.db2.gz NVEOKUCXVPOCBW-UHFFFAOYSA-N 1 3 321.440 2.214 20 0 DEADHO CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C2 ZINC001421538994 1171839356 /nfs/dbraw/zinc/83/93/56/1171839356.db2.gz NDQZLYDYHKPTDF-WCXIOVBPSA-N 1 3 307.482 2.097 20 0 DEADHO CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C2 ZINC001421538994 1171839361 /nfs/dbraw/zinc/83/93/61/1171839361.db2.gz NDQZLYDYHKPTDF-WCXIOVBPSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC001421545727 1171841470 /nfs/dbraw/zinc/84/14/70/1171841470.db2.gz BICOZKCEPYDHSX-ZBFHGGJFSA-N 1 3 323.506 2.272 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(F)c1)N(C)C ZINC001421757057 1171968324 /nfs/dbraw/zinc/96/83/24/1171968324.db2.gz FORGMQVQHIRBCP-BBRMVZONSA-N 1 3 309.429 2.008 20 0 DEADHO C[C@H](C[NH2+]Cc1ccc(F)cc1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001421912471 1172117848 /nfs/dbraw/zinc/11/78/48/1172117848.db2.gz YEFIXCKBRGPAIH-CQSZACIVSA-N 1 3 321.440 2.247 20 0 DEADHO c1cn2c(cccc2CNC2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC001422657943 1172795398 /nfs/dbraw/zinc/79/53/98/1172795398.db2.gz ZOUAMVMUVVFQFM-QGZVFWFLSA-N 1 3 314.433 2.067 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001422658747 1172795459 /nfs/dbraw/zinc/79/54/59/1172795459.db2.gz IJUXOVDWQSEXDF-XJKSGUPXSA-N 1 3 309.429 2.069 20 0 DEADHO CC[C@@H](F)CN1CCCCC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001422714236 1172826172 /nfs/dbraw/zinc/82/61/72/1172826172.db2.gz FTGWTNDNJSGPRO-CVEARBPZSA-N 1 3 315.477 2.437 20 0 DEADHO CC[C@@H](F)CN1CCCCC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001422714236 1172826176 /nfs/dbraw/zinc/82/61/76/1172826176.db2.gz FTGWTNDNJSGPRO-CVEARBPZSA-N 1 3 315.477 2.437 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cc2ccccc2o1)N(C)C ZINC001422732543 1172834408 /nfs/dbraw/zinc/83/44/08/1172834408.db2.gz JMXAMAFUNUAQRW-XJKSGUPXSA-N 1 3 317.433 2.367 20 0 DEADHO Cc1ccc(CN(C)C[C@H](C)NC(=O)CCC[NH+](C)C)cc1 ZINC001422876013 1172892723 /nfs/dbraw/zinc/89/27/23/1172892723.db2.gz JBNYQDDHSDQVHW-INIZCTEOSA-N 1 3 305.466 2.273 20 0 DEADHO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)o1 ZINC001422972501 1172986713 /nfs/dbraw/zinc/98/67/13/1172986713.db2.gz NMWRUWHNCFYVMD-NWANDNLSSA-N 1 3 300.406 2.408 20 0 DEADHO C[C@@H]1C[C@@H](NCCF)CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001423337455 1173260374 /nfs/dbraw/zinc/26/03/74/1173260374.db2.gz WBAILBLWMBOLAM-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO Cc1ccc(CN2CC([C@H](C)NC(=O)CC[NH+](C)C)C2)cc1C ZINC001425252323 1174260148 /nfs/dbraw/zinc/26/01/48/1174260148.db2.gz IEYAXUJOFXIOLK-INIZCTEOSA-N 1 3 317.477 2.192 20 0 DEADHO CC(C)[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001425366822 1174295299 /nfs/dbraw/zinc/29/52/99/1174295299.db2.gz GLFHXRVELWNESM-XHSDSOJGSA-N 1 3 307.482 2.096 20 0 DEADHO CC(C)[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001425366822 1174295304 /nfs/dbraw/zinc/29/53/04/1174295304.db2.gz GLFHXRVELWNESM-XHSDSOJGSA-N 1 3 307.482 2.096 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001425402487 1174307518 /nfs/dbraw/zinc/30/75/18/1174307518.db2.gz HXUGXHDGAYTPRD-DJIMGWMZSA-N 1 3 321.509 2.391 20 0 DEADHO CCCC[NH+]1CCC([C@H](C)NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001426193973 1174640146 /nfs/dbraw/zinc/64/01/46/1174640146.db2.gz SHZXNXHSDOGSKA-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](CC[NH+](C)C)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001433788269 1177993895 /nfs/dbraw/zinc/99/38/95/1177993895.db2.gz CSJSFQDBJRTQDN-SOLBZPMBSA-N 1 3 317.477 2.353 20 0 DEADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(C)(C)N1CCCCC1 ZINC001434177540 1178309034 /nfs/dbraw/zinc/30/90/34/1178309034.db2.gz GEADFEDBZKUYHR-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)N1CCCCC[C@@H](NCCF)C1)[NH+](CC)CC ZINC001436475001 1179130902 /nfs/dbraw/zinc/13/09/02/1179130902.db2.gz JRQVHNVZVNPVSB-CVEARBPZSA-N 1 3 315.477 2.437 20 0 DEADHO CCCN(C)CC(=O)N1CCCCC[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001436476229 1179130958 /nfs/dbraw/zinc/13/09/58/1179130958.db2.gz MYHVAOIRAYDROF-LOWQCSRCSA-N 1 3 315.889 2.442 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001436745664 1179213763 /nfs/dbraw/zinc/21/37/63/1179213763.db2.gz YGNONMOBUCDXIL-QGZVFWFLSA-N 1 3 303.450 2.109 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001436745664 1179213770 /nfs/dbraw/zinc/21/37/70/1179213770.db2.gz YGNONMOBUCDXIL-QGZVFWFLSA-N 1 3 303.450 2.109 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)NCc1cncs1 ZINC001437137608 1179471927 /nfs/dbraw/zinc/47/19/27/1179471927.db2.gz QMGCXTUCUADISU-CYBMUJFWSA-N 1 3 324.494 2.002 20 0 DEADHO C[C@@H](c1ccccc1)N(C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001437479263 1179818024 /nfs/dbraw/zinc/81/80/24/1179818024.db2.gz CENSINRMOPIUJT-INIZCTEOSA-N 1 3 315.461 2.424 20 0 DEADHO CCN1CCC[C@H](N(Cc2ccccc2)C(=O)CC[NH+](C)C)C1 ZINC001437983477 1180129169 /nfs/dbraw/zinc/12/91/69/1180129169.db2.gz ASWUFCCWZLZNLX-SFHVURJKSA-N 1 3 317.477 2.451 20 0 DEADHO CCN1CCC[C@@H](N(Cc2ccccc2)C(=O)CC[NH+](C)C)C1 ZINC001437983476 1180130767 /nfs/dbraw/zinc/13/07/67/1180130767.db2.gz ASWUFCCWZLZNLX-GOSISDBHSA-N 1 3 317.477 2.451 20 0 DEADHO CC(C)[C@H](C(=O)NCCC1CC[NH+](CCCF)CC1)N(C)C ZINC001438451912 1180446100 /nfs/dbraw/zinc/44/61/00/1180446100.db2.gz AKDAXZSETWPIAJ-MRXNPFEDSA-N 1 3 315.477 2.151 20 0 DEADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccccc1C ZINC001438707353 1180777541 /nfs/dbraw/zinc/77/75/41/1180777541.db2.gz VGBQKVYPQCMUEZ-MRXNPFEDSA-N 1 3 305.466 2.273 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001438935256 1180857201 /nfs/dbraw/zinc/85/72/01/1180857201.db2.gz CQIKSUHYLSVUFJ-AWEZNQCLSA-N 1 3 319.440 2.152 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[N@@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001438935256 1180857203 /nfs/dbraw/zinc/85/72/03/1180857203.db2.gz CQIKSUHYLSVUFJ-AWEZNQCLSA-N 1 3 319.440 2.152 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC2CCCC2)C1 ZINC001438942906 1180860551 /nfs/dbraw/zinc/86/05/51/1180860551.db2.gz AQJBUCPXMRZCLA-MSOLQXFVSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC2CCCC2)C1 ZINC001438942906 1180860556 /nfs/dbraw/zinc/86/05/56/1180860556.db2.gz AQJBUCPXMRZCLA-MSOLQXFVSA-N 1 3 321.509 2.440 20 0 DEADHO CCc1ccccc1C[NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001439214479 1180944521 /nfs/dbraw/zinc/94/45/21/1180944521.db2.gz MOAVHJVHSDFCRT-HNNXBMFYSA-N 1 3 317.477 2.328 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[N@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001439398084 1181070617 /nfs/dbraw/zinc/07/06/17/1181070617.db2.gz QMKMOVGUJVMECP-UONOGXRCSA-N 1 3 319.440 2.200 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[N@@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001439398084 1181070626 /nfs/dbraw/zinc/07/06/26/1181070626.db2.gz QMKMOVGUJVMECP-UONOGXRCSA-N 1 3 319.440 2.200 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@H+](C[C@@H](C)CC)C2)C1 ZINC001439717005 1181208884 /nfs/dbraw/zinc/20/88/84/1181208884.db2.gz LRFIHARIBSBDKW-FUHWJXTLSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@@H+](C[C@@H](C)CC)C2)C1 ZINC001439717005 1181208891 /nfs/dbraw/zinc/20/88/91/1181208891.db2.gz LRFIHARIBSBDKW-FUHWJXTLSA-N 1 3 309.498 2.299 20 0 DEADHO C[C@@H](F)CC[NH+]1CCC(C)(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001439802992 1181241638 /nfs/dbraw/zinc/24/16/38/1181241638.db2.gz RCFGSPWCDAXZKQ-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)CC[NH2+][C@H]1C[C@H](CNC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001440362714 1181465621 /nfs/dbraw/zinc/46/56/21/1181465621.db2.gz NMAQUIBRTBIQNQ-QBPKDAKJSA-N 1 3 309.498 2.390 20 0 DEADHO Cc1ccccc1C[NH2+]CC1CC(NC(=O)CN(C)C(C)C)C1 ZINC001440761822 1181679388 /nfs/dbraw/zinc/67/93/88/1181679388.db2.gz DJDYZRJZUKLOCC-UHFFFAOYSA-N 1 3 317.477 2.320 20 0 DEADHO CN(C)C1(C(=O)N(C)C2CCC([NH2+]CC3CC3)CC2)CCC1 ZINC001440859196 1181732840 /nfs/dbraw/zinc/73/28/40/1181732840.db2.gz FPUZQQIJHORUIP-UHFFFAOYSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H](CNC(=O)CCC[NH+](C)C)N(C)Cc1ccc(F)cc1 ZINC001440956701 1181797518 /nfs/dbraw/zinc/79/75/18/1181797518.db2.gz FAFISXOGWRDOGY-AWEZNQCLSA-N 1 3 309.429 2.104 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[N@H+](C)CCCC1CCC1 ZINC001440975210 1181807562 /nfs/dbraw/zinc/80/75/62/1181807562.db2.gz VNPOIPFHCOPICW-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[N@@H+](C)CCCC1CCC1 ZINC001440975210 1181807566 /nfs/dbraw/zinc/80/75/66/1181807566.db2.gz VNPOIPFHCOPICW-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[N@H+](C)[C@H]1CCc2ccccc21 ZINC001440997831 1181819487 /nfs/dbraw/zinc/81/94/87/1181819487.db2.gz KGEUPIWLOJFYPH-YJBOKZPZSA-N 1 3 317.477 2.452 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001440997831 1181819489 /nfs/dbraw/zinc/81/94/89/1181819489.db2.gz KGEUPIWLOJFYPH-YJBOKZPZSA-N 1 3 317.477 2.452 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001441040393 1181833988 /nfs/dbraw/zinc/83/39/88/1181833988.db2.gz VCQYHVAYVWMDMW-ZIAGYGMSSA-N 1 3 319.440 2.199 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001441040393 1181833989 /nfs/dbraw/zinc/83/39/89/1181833989.db2.gz VCQYHVAYVWMDMW-ZIAGYGMSSA-N 1 3 319.440 2.199 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC12CC[NH+](CC1CCC1)CC2 ZINC001441154603 1181874418 /nfs/dbraw/zinc/87/44/18/1181874418.db2.gz PAADHVPIXWWBKI-INIZCTEOSA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3)C2)CCC1 ZINC001441350562 1181953295 /nfs/dbraw/zinc/95/32/95/1181953295.db2.gz HLGJFPZUDVRROZ-QAQDUYKDSA-N 1 3 315.461 2.155 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001441413241 1181981975 /nfs/dbraw/zinc/98/19/75/1181981975.db2.gz FGBDYOOOOGCUMV-SHTZXODSSA-N 1 3 323.868 2.419 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001441413241 1181981980 /nfs/dbraw/zinc/98/19/80/1181981980.db2.gz FGBDYOOOOGCUMV-SHTZXODSSA-N 1 3 323.868 2.419 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CC1CCC1)C1CC1 ZINC001441436736 1181994420 /nfs/dbraw/zinc/99/44/20/1181994420.db2.gz VJLABEYFWZYURN-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]CC1CC(C)(C)C1 ZINC001441540339 1182048226 /nfs/dbraw/zinc/04/82/26/1182048226.db2.gz QRTWUHXXDJUVSJ-AWEZNQCLSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@H](C)C1 ZINC001441717161 1182135825 /nfs/dbraw/zinc/13/58/25/1182135825.db2.gz OLLDDCJNCBUIQA-YTGMWSOZSA-N 1 3 321.509 2.057 20 0 DEADHO CC(C)C[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@H](C)C1 ZINC001441717161 1182135830 /nfs/dbraw/zinc/13/58/30/1182135830.db2.gz OLLDDCJNCBUIQA-YTGMWSOZSA-N 1 3 321.509 2.057 20 0 DEADHO CCc1cccc(C[NH2+][C@H](C)CNC(=O)[C@@H](CC)N(C)C)c1 ZINC001441848599 1182213209 /nfs/dbraw/zinc/21/32/09/1182213209.db2.gz GHYIFNKHSPBKTL-RHSMWYFYSA-N 1 3 305.466 2.184 20 0 DEADHO CC[C@@H](F)C[NH+]1CCC([C@H](C)NC(=O)CN(C)C(C)C)CC1 ZINC001442227049 1182379649 /nfs/dbraw/zinc/37/96/49/1182379649.db2.gz OWTRLHOGUUXNIG-GOEBONIOSA-N 1 3 315.477 2.291 20 0 DEADHO CC(C)C[NH2+][C@@H](CNC(=O)CN(C)C(C)C)c1ccccc1 ZINC001443136682 1182858887 /nfs/dbraw/zinc/85/88/87/1182858887.db2.gz FNIIIXJZGQDXQJ-KRWDZBQOSA-N 1 3 305.466 2.430 20 0 DEADHO CCCN(C)CC(=O)N1CCC(CC[N@H+](C)CC2CC2)CC1 ZINC001444831002 1183581092 /nfs/dbraw/zinc/58/10/92/1183581092.db2.gz BOLNMJWCOMQPBM-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CCC(CC[N@@H+](C)CC2CC2)CC1 ZINC001444831002 1183581097 /nfs/dbraw/zinc/58/10/97/1183581097.db2.gz BOLNMJWCOMQPBM-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCC(F)(F)F ZINC001444862033 1183602002 /nfs/dbraw/zinc/60/20/02/1183602002.db2.gz CDWMJEOIRREUQO-GFCCVEGCSA-N 1 3 323.403 2.154 20 0 DEADHO CC[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1[NH2+]CCC1CC1 ZINC001446000866 1184171012 /nfs/dbraw/zinc/17/10/12/1184171012.db2.gz APGZHOBGFKRATL-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[NH2+]CCN(Cc1ccccc1)C(=O)CN1CC[C@@H](C)C1 ZINC001446969630 1184596575 /nfs/dbraw/zinc/59/65/75/1184596575.db2.gz QONLECWZZODYMX-QGZVFWFLSA-N 1 3 317.477 2.355 20 0 DEADHO CN(C)C1(C(=O)N(C)CCC[N@H+](C)CC2CCCC2)CCC1 ZINC001447335504 1184730478 /nfs/dbraw/zinc/73/04/78/1184730478.db2.gz HDZRZZYWAJCALF-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CN(C)C1(C(=O)N(C)CCC[N@@H+](C)CC2CCCC2)CCC1 ZINC001447335504 1184730482 /nfs/dbraw/zinc/73/04/82/1184730482.db2.gz HDZRZZYWAJCALF-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@H](F)C[NH2+]C1(C)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001447547649 1184807343 /nfs/dbraw/zinc/80/73/43/1184807343.db2.gz HRHJIACCBAMLGB-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)CN(C)C(C)C)cc1 ZINC001447696878 1184844945 /nfs/dbraw/zinc/84/49/45/1184844945.db2.gz KOYADIRJWONGOO-INIZCTEOSA-N 1 3 305.466 2.320 20 0 DEADHO COc1cccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001447940377 1184966658 /nfs/dbraw/zinc/96/66/58/1184966658.db2.gz ZJBSNDDVTXPPBR-GJZGRUSLSA-N 1 3 321.465 2.018 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@]2(C)C[N@H+](CCC3CC3)C[C@]2(C)C1 ZINC001448481755 1185249025 /nfs/dbraw/zinc/24/90/25/1185249025.db2.gz NLDQIWBGIKLDNP-KDURUIRLSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@]2(C)C[N@@H+](CCC3CC3)C[C@]2(C)C1 ZINC001448481755 1185249029 /nfs/dbraw/zinc/24/90/29/1185249029.db2.gz NLDQIWBGIKLDNP-KDURUIRLSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)CC[N@H+](C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001448544669 1185285270 /nfs/dbraw/zinc/28/52/70/1185285270.db2.gz LDPKEXOVLSOHRV-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CC[N@@H+](C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001448544669 1185285278 /nfs/dbraw/zinc/28/52/78/1185285278.db2.gz LDPKEXOVLSOHRV-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]CC(C)C)C1CC1 ZINC001448606413 1185319072 /nfs/dbraw/zinc/31/90/72/1185319072.db2.gz YPVVRZUAIHYKTN-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](F)CN1CC[C@]2(NC(=O)CC[N@H+](C)CC)CCC[C@H]12 ZINC001449013526 1185487253 /nfs/dbraw/zinc/48/72/53/1185487253.db2.gz LTIFFEMHKCTNOQ-YQQAZPJKSA-N 1 3 313.461 2.190 20 0 DEADHO CC[C@H](F)CN1CC[C@]2(NC(=O)CC[N@@H+](C)CC)CCC[C@H]12 ZINC001449013526 1185487258 /nfs/dbraw/zinc/48/72/58/1185487258.db2.gz LTIFFEMHKCTNOQ-YQQAZPJKSA-N 1 3 313.461 2.190 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@@H](NC(=O)CN(C)C1CCC1)C(C)(C)C ZINC001449291756 1185628138 /nfs/dbraw/zinc/62/81/38/1185628138.db2.gz JBRFHGDOEKRSGW-UKRRQHHQSA-N 1 3 315.477 2.339 20 0 DEADHO CC(C)C[C@H](C)C[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001449404938 1185704150 /nfs/dbraw/zinc/70/41/50/1185704150.db2.gz ADSWGHDJNVDNRX-GTPINHCMSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1)c1ccccc1 ZINC001370480850 1149782105 /nfs/dbraw/zinc/78/21/05/1149782105.db2.gz CKPIQBPIEJDKOJ-XIRDDKMYSA-N 1 3 315.461 2.469 20 0 DEADHO C[C@@H](N[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1)c1ccccc1F ZINC001370524187 1149804909 /nfs/dbraw/zinc/80/49/09/1149804909.db2.gz XQOKJJYUHSEWSM-RBSFLKMASA-N 1 3 321.440 2.465 20 0 DEADHO CCc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN(C)C(C)C)C2)cc1 ZINC001370567387 1149811110 /nfs/dbraw/zinc/81/11/10/1149811110.db2.gz YVQMERNLZZSBDW-IYARVYRRSA-N 1 3 317.477 2.326 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)sc2C)C1 ZINC001370708479 1149828717 /nfs/dbraw/zinc/82/87/17/1149828717.db2.gz DKHIUXPAROEPBU-IYBDPMFKSA-N 1 3 323.506 2.444 20 0 DEADHO CCC(CC)C[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001072851323 790272997 /nfs/dbraw/zinc/27/29/97/790272997.db2.gz RHNPMSFFNKVHAI-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CCC(CC)C[N@H+]1CCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001072851323 790273000 /nfs/dbraw/zinc/27/30/00/790273000.db2.gz RHNPMSFFNKVHAI-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO Cc1cc(CNCCNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)cs1 ZINC001127256532 782379511 /nfs/dbraw/zinc/37/95/11/782379511.db2.gz OUVCOPGYQNQPQG-JKSUJKDBSA-N 1 3 321.490 2.137 20 0 DEADHO Cc1cc(CNCCNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)cs1 ZINC001127256532 782379518 /nfs/dbraw/zinc/37/95/18/782379518.db2.gz OUVCOPGYQNQPQG-JKSUJKDBSA-N 1 3 321.490 2.137 20 0 DEADHO CCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](F)CN(CC)CC ZINC001234643047 782617165 /nfs/dbraw/zinc/61/71/65/782617165.db2.gz LRCJBYOFQNTLBQ-JKSUJKDBSA-N 1 3 315.477 2.389 20 0 DEADHO CCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](F)CN(CC)CC ZINC001234643047 782617169 /nfs/dbraw/zinc/61/71/69/782617169.db2.gz LRCJBYOFQNTLBQ-JKSUJKDBSA-N 1 3 315.477 2.389 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[N@@H+]1CCCF ZINC000947617008 783190450 /nfs/dbraw/zinc/19/04/50/783190450.db2.gz UXWYOKFWNVHRLT-GJZGRUSLSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[N@H+]1CCCF ZINC000947617008 783190457 /nfs/dbraw/zinc/19/04/57/783190457.db2.gz UXWYOKFWNVHRLT-GJZGRUSLSA-N 1 3 313.461 2.190 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](CC1CC(C)(C)C1)C2)N(C)C ZINC001072990616 790360985 /nfs/dbraw/zinc/36/09/85/790360985.db2.gz BBTCSPUXDQSJTE-INIZCTEOSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CC1CC(C)(C)C1)C2)N(C)C ZINC001072990616 790360999 /nfs/dbraw/zinc/36/09/99/790360999.db2.gz BBTCSPUXDQSJTE-INIZCTEOSA-N 1 3 321.509 2.297 20 0 DEADHO CN1CCC[C@H](C[N@@H+]2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)C1 ZINC001208608422 776599486 /nfs/dbraw/zinc/59/94/86/776599486.db2.gz SKGOVJRWBDSCKX-XQQFMLRXSA-N 1 3 312.351 2.056 20 0 DEADHO CN1CCC[C@H](C[N@H+]2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)C1 ZINC001208608422 776599496 /nfs/dbraw/zinc/59/94/96/776599496.db2.gz SKGOVJRWBDSCKX-XQQFMLRXSA-N 1 3 312.351 2.056 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCC(F)(F)F)C1)N(C)C ZINC001209484380 776729923 /nfs/dbraw/zinc/72/99/23/776729923.db2.gz HXUYZTPNVMHXIW-CHWSQXEVSA-N 1 3 323.403 2.106 20 0 DEADHO CC[C@@H](C)C[NH2+]CC1(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001167224461 776780242 /nfs/dbraw/zinc/78/02/42/776780242.db2.gz KQJYVTVERQJQSI-CVEARBPZSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC2(C[NH2+]CC3CCCC3)CC2)C1 ZINC001167232526 776784880 /nfs/dbraw/zinc/78/48/80/776784880.db2.gz GAMDGRMSDNSYED-INIZCTEOSA-N 1 3 321.509 2.395 20 0 DEADHO CC(C)[C@H](C(=O)NCC1CC([NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001100647383 777572380 /nfs/dbraw/zinc/57/23/80/777572380.db2.gz RLEDSLZFAUXAKA-BDVYOWHSSA-N 1 3 323.525 2.493 20 0 DEADHO CCCC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001104676635 778016393 /nfs/dbraw/zinc/01/63/93/778016393.db2.gz SAQWIFUQKZNYIZ-IXDOHACOSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C/C=C/Cl)C1 ZINC001104939381 778266776 /nfs/dbraw/zinc/26/67/76/778266776.db2.gz NVMQAMHSWFFWRU-IPKOWEFYSA-N 1 3 315.889 2.155 20 0 DEADHO COc1ccc2[nH+]c(C)cc(NCCN3CCSCC3)c2c1 ZINC001167837618 778696184 /nfs/dbraw/zinc/69/61/84/778696184.db2.gz TYSWFKYLVYSDBT-UHFFFAOYSA-N 1 3 317.458 2.434 20 0 DEADHO CCCC[N@@H+]1CCC2(CN(C(=O)CN3[C@H](C)CC[C@H]3C)C2)C1 ZINC001073453895 790665554 /nfs/dbraw/zinc/66/55/54/790665554.db2.gz CAZOSXQJQFLXFB-HZPDHXFCSA-N 1 3 307.482 2.194 20 0 DEADHO CCCC[N@H+]1CCC2(CN(C(=O)CN3[C@H](C)CC[C@H]3C)C2)C1 ZINC001073453895 790665560 /nfs/dbraw/zinc/66/55/60/790665560.db2.gz CAZOSXQJQFLXFB-HZPDHXFCSA-N 1 3 307.482 2.194 20 0 DEADHO COC(=O)[C@H]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167968606 779123290 /nfs/dbraw/zinc/12/32/90/779123290.db2.gz TWRZAHISQVDULA-BFZKSOEOSA-N 1 3 306.450 2.323 20 0 DEADHO COC(=O)[C@H]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167968606 779123294 /nfs/dbraw/zinc/12/32/94/779123294.db2.gz TWRZAHISQVDULA-BFZKSOEOSA-N 1 3 306.450 2.323 20 0 DEADHO CCOC(=O)[C@H]1[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@@H]21 ZINC001168004821 779265000 /nfs/dbraw/zinc/26/50/00/779265000.db2.gz ZZVHTZMFYAHWEF-CSUGUUMDSA-N 1 3 318.461 2.133 20 0 DEADHO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@@H]21 ZINC001168004821 779265005 /nfs/dbraw/zinc/26/50/05/779265005.db2.gz ZZVHTZMFYAHWEF-CSUGUUMDSA-N 1 3 318.461 2.133 20 0 DEADHO CCOC(=O)[C@H]1[C@@H]2CN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C[C@@H]21 ZINC001168004821 779265011 /nfs/dbraw/zinc/26/50/11/779265011.db2.gz ZZVHTZMFYAHWEF-CSUGUUMDSA-N 1 3 318.461 2.133 20 0 DEADHO CCOC(=O)[C@H]1[C@@H]2CN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C[C@@H]21 ZINC001168004821 779265016 /nfs/dbraw/zinc/26/50/16/779265016.db2.gz ZZVHTZMFYAHWEF-CSUGUUMDSA-N 1 3 318.461 2.133 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)CC[N@@H+]1CC1CC1 ZINC001087671779 779405596 /nfs/dbraw/zinc/40/55/96/779405596.db2.gz PHLTWIPQEQDGOF-RCCFBDPRSA-N 1 3 319.493 2.240 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)CC[N@H+]1CC1CC1 ZINC001087671779 779405599 /nfs/dbraw/zinc/40/55/99/779405599.db2.gz PHLTWIPQEQDGOF-RCCFBDPRSA-N 1 3 319.493 2.240 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC([N@H+](C)CC3CCC3)CC2)C1 ZINC000985649201 779988571 /nfs/dbraw/zinc/98/85/71/779988571.db2.gz BPHGCHQTUVGIPH-OAHLLOKOSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC([N@@H+](C)CC3CCC3)CC2)C1 ZINC000985649201 779988576 /nfs/dbraw/zinc/98/85/76/779988576.db2.gz BPHGCHQTUVGIPH-OAHLLOKOSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CC2CCC2)C1)N(C)C ZINC001088383741 780056688 /nfs/dbraw/zinc/05/66/88/780056688.db2.gz LWLLGMLIJSOOCM-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCC2)[C@@H]1C ZINC001088693445 780827901 /nfs/dbraw/zinc/82/79/01/780827901.db2.gz ZVFOWTYOKNSCFT-BPQIPLTHSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCC2)[C@@H]1C ZINC001088693445 780827914 /nfs/dbraw/zinc/82/79/14/780827914.db2.gz ZVFOWTYOKNSCFT-BPQIPLTHSA-N 1 3 321.509 2.486 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CC2)CC1 ZINC001168335826 780851699 /nfs/dbraw/zinc/85/16/99/780851699.db2.gz VNPGHCSAXZYAEU-INIZCTEOSA-N 1 3 307.482 2.147 20 0 DEADHO c1cc(C[NH2+]C2CCN(CC3CC3)CC2)cc(OC2COC2)c1 ZINC001168357936 780930006 /nfs/dbraw/zinc/93/00/06/780930006.db2.gz MKPYZFYCRKLXKV-UHFFFAOYSA-N 1 3 316.445 2.428 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC2CCC2)C1 ZINC001091026979 790838555 /nfs/dbraw/zinc/83/85/55/790838555.db2.gz VKKRJLRUPIQZRO-OFLPRAFFSA-N 1 3 307.482 2.144 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)[C@H]1C ZINC001088768884 780969106 /nfs/dbraw/zinc/96/91/06/780969106.db2.gz IOTCFUJGAXWRBH-HYVNUMGLSA-N 1 3 307.482 2.096 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)[C@H]1C ZINC001088768884 780969107 /nfs/dbraw/zinc/96/91/07/780969107.db2.gz IOTCFUJGAXWRBH-HYVNUMGLSA-N 1 3 307.482 2.096 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCC1CC([NH2+]CC2CCC2)C1 ZINC001091058009 790872109 /nfs/dbraw/zinc/87/21/09/790872109.db2.gz IOVBJUZOSWQTMK-JCYILVPMSA-N 1 3 307.482 2.145 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CC2CCC2)[C@H](C)C1 ZINC000947980664 783283980 /nfs/dbraw/zinc/28/39/80/783283980.db2.gz QZDIQQXTTLQJRP-IUODEOHRSA-N 1 3 304.438 2.030 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CC2CCC2)[C@H](C)C1 ZINC000947980664 783283987 /nfs/dbraw/zinc/28/39/87/783283987.db2.gz QZDIQQXTTLQJRP-IUODEOHRSA-N 1 3 304.438 2.030 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC2CC(C)C2)[C@H](C)C1 ZINC001106910864 783420358 /nfs/dbraw/zinc/42/03/58/783420358.db2.gz SHGSITSNSBMTLX-MNAZLIDISA-N 1 3 309.498 2.058 20 0 DEADHO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCCN1C/C=C/Cl ZINC000968782082 784587990 /nfs/dbraw/zinc/58/79/90/784587990.db2.gz SBGIBEYVTVQCHL-VOTDVEDPSA-N 1 3 313.873 2.194 20 0 DEADHO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCCN1C/C=C/Cl ZINC000968782082 784587998 /nfs/dbraw/zinc/58/79/98/784587998.db2.gz SBGIBEYVTVQCHL-VOTDVEDPSA-N 1 3 313.873 2.194 20 0 DEADHO CC(C)C[NH2+]C1CC(CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001091267200 791074460 /nfs/dbraw/zinc/07/44/60/791074460.db2.gz DGYNRIOTLRBBGY-JCYILVPMSA-N 1 3 309.498 2.390 20 0 DEADHO CC[NH+]1CCC(N2CCC3(C[C@@H]3C(=O)NC3CCC3)CC2)CC1 ZINC001169253253 785116286 /nfs/dbraw/zinc/11/62/86/785116286.db2.gz AIFGFVAHGKINOM-QGZVFWFLSA-N 1 3 319.493 2.242 20 0 DEADHO CC[NH+]1CCC(N2CCC[C@]3(CCCCN3C(C)=O)C2)CC1 ZINC001169254382 785118799 /nfs/dbraw/zinc/11/87/99/785118799.db2.gz DNSAKPNFYAJMER-GOSISDBHSA-N 1 3 307.482 2.338 20 0 DEADHO Cc1cc(Cl)ccc1C[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129351667 785445775 /nfs/dbraw/zinc/44/57/75/785445775.db2.gz MCESLHRQCJQFBI-UHFFFAOYSA-N 1 3 323.868 2.339 20 0 DEADHO CCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001009610322 785492597 /nfs/dbraw/zinc/49/25/97/785492597.db2.gz LBWIBVGCPDJTAK-KRWDZBQOSA-N 1 3 303.450 2.352 20 0 DEADHO CCC[N@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001009610322 785492604 /nfs/dbraw/zinc/49/26/04/785492604.db2.gz LBWIBVGCPDJTAK-KRWDZBQOSA-N 1 3 303.450 2.352 20 0 DEADHO CN(C)C1(C(=O)NCC[NH2+]Cc2ccccc2C2CC2)CCC1 ZINC001129358548 785497357 /nfs/dbraw/zinc/49/73/57/785497357.db2.gz UJIMDNULNPGSJH-UHFFFAOYSA-N 1 3 315.461 2.254 20 0 DEADHO COCCC1([NH3+])CCN(C2CC(C)(C)N(O)C(C)(C)C2)CC1 ZINC001169987852 785759681 /nfs/dbraw/zinc/75/96/81/785759681.db2.gz YVQVENPSBJIIDM-UHFFFAOYSA-N 1 3 313.486 2.227 20 0 DEADHO CN(CCN(C)C(=O)c1ccccc1C[NH3+])Cc1ccccc1 ZINC001161161726 786451760 /nfs/dbraw/zinc/45/17/60/786451760.db2.gz YJIULNMQPJXIIH-UHFFFAOYSA-N 1 3 311.429 2.349 20 0 DEADHO CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001014400843 786571104 /nfs/dbraw/zinc/57/11/04/786571104.db2.gz SMYNLTMSTDDWEC-IAGOWNOFSA-N 1 3 309.498 2.486 20 0 DEADHO CCC(CC)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001014400843 786571107 /nfs/dbraw/zinc/57/11/07/786571107.db2.gz SMYNLTMSTDDWEC-IAGOWNOFSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@H]1C[C@H]([NH2+]C2CCN(CC3CCOCC3)CC2)CCO1 ZINC001170198645 786852858 /nfs/dbraw/zinc/85/28/58/786852858.db2.gz ZPBYFGZGJLSCAR-MSOLQXFVSA-N 1 3 310.482 2.425 20 0 DEADHO CN(C)[C@@H](C(=O)NCC[NH2+]CC1CCC2(CC2)CC1)C1CC1 ZINC001129444703 787212532 /nfs/dbraw/zinc/21/25/32/787212532.db2.gz XKTCDJPKWYDPBK-MRXNPFEDSA-N 1 3 307.482 2.003 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129531640 787221754 /nfs/dbraw/zinc/22/17/54/787221754.db2.gz CXVSGELSGMWJDB-HNNXBMFYSA-N 1 3 303.450 2.246 20 0 DEADHO Cc1ccc(C[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C)c(C)c1 ZINC001129949899 787262610 /nfs/dbraw/zinc/26/26/10/787262610.db2.gz JTCACGMNLPAOGR-KRWDZBQOSA-N 1 3 305.466 2.095 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+]Cc1cccc(C(F)F)c1)N(C)C ZINC001130203484 787313669 /nfs/dbraw/zinc/31/36/69/787313669.db2.gz NMZVLSFUSYIHTE-CQSZACIVSA-N 1 3 313.392 2.170 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCC1CC([NH2+]C/C=C\Cl)C1 ZINC001100320542 787436486 /nfs/dbraw/zinc/43/64/86/787436486.db2.gz HPORNLWPFSWLJS-OWKRAXHLSA-N 1 3 313.873 2.096 20 0 DEADHO CC[C@H](F)CNCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001130622350 787444436 /nfs/dbraw/zinc/44/44/36/787444436.db2.gz FCBQPDFDGPWDHZ-ZDUSSCGKSA-N 1 3 301.450 2.093 20 0 DEADHO CC[C@H](F)CNCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001130622350 787444442 /nfs/dbraw/zinc/44/44/42/787444442.db2.gz FCBQPDFDGPWDHZ-ZDUSSCGKSA-N 1 3 301.450 2.093 20 0 DEADHO C[C@H](Nc1cccc(N2CCCC[C@@H]2C)n1)[C@@H]1C[NH2+]CCO1 ZINC001170570352 787650215 /nfs/dbraw/zinc/65/02/15/787650215.db2.gz MYLDTEUONKFDAW-KKUMJFAQSA-N 1 3 304.438 2.249 20 0 DEADHO C[C@H](Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cn1)[C@@H]1CNCCO1 ZINC001170575747 787670981 /nfs/dbraw/zinc/67/09/81/787670981.db2.gz ZFZKCAWDQUULJC-ZOBUZTSGSA-N 1 3 318.465 2.245 20 0 DEADHO C[C@H](Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cn1)[C@@H]1CNCCO1 ZINC001170575747 787670983 /nfs/dbraw/zinc/67/09/83/787670983.db2.gz ZFZKCAWDQUULJC-ZOBUZTSGSA-N 1 3 318.465 2.245 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001000191448 788336422 /nfs/dbraw/zinc/33/64/22/788336422.db2.gz JAHHVVLLPJALEG-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO [NH3+]CCCCN1CCN([C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170679992 788378262 /nfs/dbraw/zinc/37/82/62/788378262.db2.gz FMDXFZAFCFRKJK-INIZCTEOSA-N 1 3 323.431 2.179 20 0 DEADHO Cc1cccc(Cl)c1CNCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133845696 788638519 /nfs/dbraw/zinc/63/85/19/788638519.db2.gz LUJFINDFTXZESV-CYBMUJFWSA-N 1 3 323.868 2.196 20 0 DEADHO Cc1cccc(Cl)c1CNCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133845696 788638522 /nfs/dbraw/zinc/63/85/22/788638522.db2.gz LUJFINDFTXZESV-CYBMUJFWSA-N 1 3 323.868 2.196 20 0 DEADHO Cc1cccc(C[NH2+]CCNC(=O)[C@@H]2CCCCN2C(C)C)c1 ZINC001134759497 789066293 /nfs/dbraw/zinc/06/62/93/789066293.db2.gz QHIQJMHLHBRMCC-SFHVURJKSA-N 1 3 317.477 2.464 20 0 DEADHO Cc1ccccc1C[NH2+]CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001134763300 789070695 /nfs/dbraw/zinc/07/06/95/789070695.db2.gz UFYFHAAISKJWFH-GOSISDBHSA-N 1 3 317.477 2.464 20 0 DEADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1cc(C)no1 ZINC001134773766 789074558 /nfs/dbraw/zinc/07/45/58/789074558.db2.gz RLPXAAKVLGQXLL-STQMWFEESA-N 1 3 324.469 2.086 20 0 DEADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1cc(C)no1 ZINC001134773766 789074566 /nfs/dbraw/zinc/07/45/66/789074566.db2.gz RLPXAAKVLGQXLL-STQMWFEESA-N 1 3 324.469 2.086 20 0 DEADHO O=C(NCCNCc1cccc(F)c1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135095535 789195888 /nfs/dbraw/zinc/19/58/88/789195888.db2.gz KBSCAYHPMSXESX-SJORKVTESA-N 1 3 319.424 2.048 20 0 DEADHO O=C(NCCNCc1cccc(F)c1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135095535 789195892 /nfs/dbraw/zinc/19/58/92/789195892.db2.gz KBSCAYHPMSXESX-SJORKVTESA-N 1 3 319.424 2.048 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001135523513 789379493 /nfs/dbraw/zinc/37/94/93/789379493.db2.gz GVEBUJGBBFYARG-CYBMUJFWSA-N 1 3 311.857 2.449 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001135510528 789380961 /nfs/dbraw/zinc/38/09/61/789380961.db2.gz ADDRKELXXSVCOI-KRWDZBQOSA-N 1 3 321.440 2.251 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCCCOC ZINC001135705321 789459976 /nfs/dbraw/zinc/45/99/76/789459976.db2.gz AEFBQFNSHSHNTM-HZPDHXFCSA-N 1 3 315.502 2.018 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1oc(C)nc1C ZINC001135745982 789475291 /nfs/dbraw/zinc/47/52/91/789475291.db2.gz CRRWWWZHIUKDPK-OLZOCXBDSA-N 1 3 324.469 2.006 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ncccc1C ZINC001135744248 789475584 /nfs/dbraw/zinc/47/55/84/789475584.db2.gz YDVASBWCYIBVHS-HOTGVXAUSA-N 1 3 320.481 2.105 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2)[C@@H]1C)N(C)C ZINC001074711358 791272015 /nfs/dbraw/zinc/27/20/15/791272015.db2.gz YCXQGDQQMAFBDJ-RRQGHBQHSA-N 1 3 321.440 2.245 20 0 DEADHO COCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146599350 791319346 /nfs/dbraw/zinc/31/93/46/791319346.db2.gz BEEOIQOOIPYAFX-JKSUJKDBSA-N 1 3 315.502 2.016 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC2=CCCCC2)C1 ZINC001098394556 791621526 /nfs/dbraw/zinc/62/15/26/791621526.db2.gz OQOJVFWXYQQNNH-MLHJIOFPSA-N 1 3 317.477 2.160 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC2=CCCCC2)C1 ZINC001098394556 791621531 /nfs/dbraw/zinc/62/15/31/791621531.db2.gz OQOJVFWXYQQNNH-MLHJIOFPSA-N 1 3 317.477 2.160 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@]2(C)C1 ZINC001091667450 791637809 /nfs/dbraw/zinc/63/78/09/791637809.db2.gz UNLGTONDTRKTJW-AOIWGVFYSA-N 1 3 321.509 2.296 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@]2(C)C1 ZINC001091667450 791637815 /nfs/dbraw/zinc/63/78/15/791637815.db2.gz UNLGTONDTRKTJW-AOIWGVFYSA-N 1 3 321.509 2.296 20 0 DEADHO CCC[N@H+](C)CCC(=O)NCCNCc1ccc(C)c(F)c1 ZINC001148578964 791776579 /nfs/dbraw/zinc/77/65/79/791776579.db2.gz YAUYOJFFQSKRJT-UHFFFAOYSA-N 1 3 309.429 2.072 20 0 DEADHO CCC[N@@H+](C)CCC(=O)NCCNCc1ccc(C)c(F)c1 ZINC001148578964 791776586 /nfs/dbraw/zinc/77/65/86/791776586.db2.gz YAUYOJFFQSKRJT-UHFFFAOYSA-N 1 3 309.429 2.072 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+]CC/C=C\c1ccccc1 ZINC001148642914 791780214 /nfs/dbraw/zinc/78/02/14/791780214.db2.gz QHDKYOOGCPUMAP-XFFZJAGNSA-N 1 3 303.450 2.138 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2C[N@H+](CCC3CC3)C[C@@]2(C)C1 ZINC001092011206 791923187 /nfs/dbraw/zinc/92/31/87/791923187.db2.gz STDKETUPQNLDBQ-SUMDDJOVSA-N 1 3 319.493 2.051 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2C[N@@H+](CCC3CC3)C[C@@]2(C)C1 ZINC001092011206 791923189 /nfs/dbraw/zinc/92/31/89/791923189.db2.gz STDKETUPQNLDBQ-SUMDDJOVSA-N 1 3 319.493 2.051 20 0 DEADHO C[C@H](N)C(=O)NCC1([N@H+](C)Cc2ccccc2)CCCCC1 ZINC000714224895 792302901 /nfs/dbraw/zinc/30/29/01/792302901.db2.gz NEBXBPNAWOKALQ-HNNXBMFYSA-N 1 3 303.450 2.285 20 0 DEADHO C[C@H](N)C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCCCC1 ZINC000714224895 792302913 /nfs/dbraw/zinc/30/29/13/792302913.db2.gz NEBXBPNAWOKALQ-HNNXBMFYSA-N 1 3 303.450 2.285 20 0 DEADHO CC[C@H](F)C[NH2+]C1CC(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001100562579 792722331 /nfs/dbraw/zinc/72/23/31/792722331.db2.gz RVCGTWZJIBJGSE-SLTAFYQDSA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]CC2=CCCCC2)C1 ZINC001101039610 792981261 /nfs/dbraw/zinc/98/12/61/792981261.db2.gz UPDYYZRXSPAUEE-UHFFFAOYSA-N 1 3 307.482 2.311 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](CC3CCC3)C[C@@]2(C)C1 ZINC001101284993 793102056 /nfs/dbraw/zinc/10/20/56/793102056.db2.gz JUTFXCCLERIOTG-APWZRJJASA-N 1 3 321.509 2.297 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](CC3CCC3)C[C@@]2(C)C1 ZINC001101284993 793102059 /nfs/dbraw/zinc/10/20/59/793102059.db2.gz JUTFXCCLERIOTG-APWZRJJASA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CCOC(C)C)N(C)C ZINC001171508732 793118571 /nfs/dbraw/zinc/11/85/71/793118571.db2.gz HLQIWGKIRNOIGP-JKSUJKDBSA-N 1 3 315.502 2.016 20 0 DEADHO Cc1cccc2c1CC[C@@H](N1CCN(CC[NH+](C)C)CC1)C2 ZINC001171564135 793135096 /nfs/dbraw/zinc/13/50/96/793135096.db2.gz UCMHLGSEVYNRFU-GOSISDBHSA-N 1 3 301.478 2.032 20 0 DEADHO C[NH+]1C(C)(C)CC(N[C@@H]2CCCN(C3COC3)C2)CC1(C)C ZINC001171622167 793151358 /nfs/dbraw/zinc/15/13/58/793151358.db2.gz WPKXKGQJZNJMRZ-CQSZACIVSA-N 1 3 309.498 2.091 20 0 DEADHO CN1C(C)(C)CC([NH2+][C@@H]2CCCN(C3COC3)C2)CC1(C)C ZINC001171622167 793151366 /nfs/dbraw/zinc/15/13/66/793151366.db2.gz WPKXKGQJZNJMRZ-CQSZACIVSA-N 1 3 309.498 2.091 20 0 DEADHO CC(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101476422 793173386 /nfs/dbraw/zinc/17/33/86/793173386.db2.gz RWIHFKVOGFTZSV-AEFFLSMTSA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)CC[N@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101476422 793173390 /nfs/dbraw/zinc/17/33/90/793173390.db2.gz RWIHFKVOGFTZSV-AEFFLSMTSA-N 1 3 309.498 2.153 20 0 DEADHO CNC(=O)NC1CC[NH+](C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171641964 793174637 /nfs/dbraw/zinc/17/46/37/793174637.db2.gz XTPWMWXYEHEWPQ-UHFFFAOYSA-N 1 3 310.486 2.031 20 0 DEADHO CNC(=O)NC1CCN(C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171641964 793174638 /nfs/dbraw/zinc/17/46/38/793174638.db2.gz XTPWMWXYEHEWPQ-UHFFFAOYSA-N 1 3 310.486 2.031 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]CCCCc1ccccc1 ZINC001171762398 793198403 /nfs/dbraw/zinc/19/84/03/793198403.db2.gz CIXFEZDAMOXTHA-UHFFFAOYSA-N 1 3 319.493 2.447 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1ccccc1Cl ZINC001171763253 793198651 /nfs/dbraw/zinc/19/86/51/793198651.db2.gz WOQORCGTGJACLC-UHFFFAOYSA-N 1 3 311.857 2.278 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+][C@@H](C)c1cccc(OC)c1 ZINC001171770052 793202234 /nfs/dbraw/zinc/20/22/34/793202234.db2.gz LIXLAOZZIFULSX-HNNXBMFYSA-N 1 3 321.465 2.194 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CC2CC2)CC1 ZINC001101522361 793205304 /nfs/dbraw/zinc/20/53/04/793205304.db2.gz XAXPFHNWMUQMDX-KRWDZBQOSA-N 1 3 321.509 2.345 20 0 DEADHO CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001101547663 793223596 /nfs/dbraw/zinc/22/35/96/793223596.db2.gz LJJKBSUMYVXFOF-INIZCTEOSA-N 1 3 309.498 2.201 20 0 DEADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H]1COc3ccccc3O1)C2 ZINC001172103687 793329048 /nfs/dbraw/zinc/32/90/48/793329048.db2.gz WVEJBTZSVLMRKJ-FZKCQIBNSA-N 1 3 302.418 2.431 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@H]1COc3ccccc3O1)C2 ZINC001172103687 793329054 /nfs/dbraw/zinc/32/90/54/793329054.db2.gz WVEJBTZSVLMRKJ-FZKCQIBNSA-N 1 3 302.418 2.431 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@H]1COc3ccccc3O1)C2 ZINC001172103687 793329062 /nfs/dbraw/zinc/32/90/62/793329062.db2.gz WVEJBTZSVLMRKJ-FZKCQIBNSA-N 1 3 302.418 2.431 20 0 DEADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)C2 ZINC001172103515 793329379 /nfs/dbraw/zinc/32/93/79/793329379.db2.gz VTAXHUBCZBIURL-MUJYYYPQSA-N 1 3 322.474 2.195 20 0 DEADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(c3cccnc3)CC1)C2 ZINC001172120996 793339692 /nfs/dbraw/zinc/33/96/92/793339692.db2.gz NTKUKKLXIYAXDY-ALXJQNPVSA-N 1 3 300.450 2.219 20 0 DEADHO CC[N@@H+]1CCO[C@@H]2CN([C@H]3Cc4ccc(Cl)cc4C3)C[C@@H]2C1 ZINC001172717223 793480826 /nfs/dbraw/zinc/48/08/26/793480826.db2.gz MSMDCMZOUKQQTP-RYQLBKOJSA-N 1 3 320.864 2.460 20 0 DEADHO CC[N@H+]1CCO[C@@H]2CN([C@H]3Cc4ccc(Cl)cc4C3)C[C@@H]2C1 ZINC001172717223 793480828 /nfs/dbraw/zinc/48/08/28/793480828.db2.gz MSMDCMZOUKQQTP-RYQLBKOJSA-N 1 3 320.864 2.460 20 0 DEADHO COC(=O)N1CCC(N[C@H](CC[NH+](C)C)c2ccccc2)CC1 ZINC001172731661 793483390 /nfs/dbraw/zinc/48/33/90/793483390.db2.gz REODKNBRQOMFBF-QGZVFWFLSA-N 1 3 319.449 2.500 20 0 DEADHO COC(=O)N1CCC([N@@H+](Cc2ccccc2)C[C@@H](C)CN)CC1 ZINC001172733797 793484157 /nfs/dbraw/zinc/48/41/57/793484157.db2.gz DXDSIWGPHUMVAB-HNNXBMFYSA-N 1 3 319.449 2.314 20 0 DEADHO COC(=O)N1CCC([N@H+](Cc2ccccc2)C[C@@H](C)CN)CC1 ZINC001172733797 793484160 /nfs/dbraw/zinc/48/41/60/793484160.db2.gz DXDSIWGPHUMVAB-HNNXBMFYSA-N 1 3 319.449 2.314 20 0 DEADHO COC(=O)N1CCC(N(Cc2ccccc2)C[C@@H](C)C[NH3+])CC1 ZINC001172733797 793484163 /nfs/dbraw/zinc/48/41/63/793484163.db2.gz DXDSIWGPHUMVAB-HNNXBMFYSA-N 1 3 319.449 2.314 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048502 793487310 /nfs/dbraw/zinc/48/73/10/793487310.db2.gz FBLQRVFVTALILN-UIGGZSMGSA-N 1 3 321.509 2.367 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048502 793487312 /nfs/dbraw/zinc/48/73/12/793487312.db2.gz FBLQRVFVTALILN-UIGGZSMGSA-N 1 3 321.509 2.367 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@@H](CNC(=O)[C@@H](CC)N(C)C)[C@H](C)C1 ZINC001102087945 793499814 /nfs/dbraw/zinc/49/98/14/793499814.db2.gz CZCBVYJZWAZIHV-LYHUAREISA-N 1 3 309.498 2.367 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)N(C)C)[C@H](C)C1 ZINC001102087945 793499818 /nfs/dbraw/zinc/49/98/18/793499818.db2.gz CZCBVYJZWAZIHV-LYHUAREISA-N 1 3 309.498 2.367 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NC[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C ZINC001102366599 793587332 /nfs/dbraw/zinc/58/73/32/793587332.db2.gz KWPSMUWBPHWRCU-JFIYKMOQSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NC[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C ZINC001102366599 793587342 /nfs/dbraw/zinc/58/73/42/793587342.db2.gz KWPSMUWBPHWRCU-JFIYKMOQSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](CC3CCCC3)C[C@H]2C)C1 ZINC001102369809 793589127 /nfs/dbraw/zinc/58/91/27/793589127.db2.gz HPTSFBYJTAYVCG-JFIYKMOQSA-N 1 3 321.509 2.203 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CC3CCCC3)C[C@H]2C)C1 ZINC001102369809 793589132 /nfs/dbraw/zinc/58/91/32/793589132.db2.gz HPTSFBYJTAYVCG-JFIYKMOQSA-N 1 3 321.509 2.203 20 0 DEADHO CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1CN(C)C)C2 ZINC001095062297 793634847 /nfs/dbraw/zinc/63/48/47/793634847.db2.gz HUTNQYBPYQBRPQ-UAGQMJEPSA-N 1 3 315.461 2.351 20 0 DEADHO CCC(CC)C[N@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102600497 793668209 /nfs/dbraw/zinc/66/82/09/793668209.db2.gz IGMWXUSEPOHINJ-NVXWUHKLSA-N 1 3 311.514 2.447 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102600497 793668213 /nfs/dbraw/zinc/66/82/13/793668213.db2.gz IGMWXUSEPOHINJ-NVXWUHKLSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1C ZINC001102600631 793669201 /nfs/dbraw/zinc/66/92/01/793669201.db2.gz NTPFOEVOUGUHCQ-NVXWUHKLSA-N 1 3 323.525 2.447 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1C ZINC001102600631 793669206 /nfs/dbraw/zinc/66/92/06/793669206.db2.gz NTPFOEVOUGUHCQ-NVXWUHKLSA-N 1 3 323.525 2.447 20 0 DEADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C)N(C)C ZINC001103443619 794094019 /nfs/dbraw/zinc/09/40/19/794094019.db2.gz CUFAURJPGVSJIJ-OIISXLGYSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C)N(C)C ZINC001103443619 794094031 /nfs/dbraw/zinc/09/40/31/794094031.db2.gz CUFAURJPGVSJIJ-OIISXLGYSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@@H](C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(CC)CC)C1 ZINC001103550268 794141452 /nfs/dbraw/zinc/14/14/52/794141452.db2.gz IISJQQDHUUHIOK-BRWVUGGUSA-N 1 3 311.514 2.449 20 0 DEADHO CC[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(CC)CC)C1 ZINC001103550268 794141455 /nfs/dbraw/zinc/14/14/55/794141455.db2.gz IISJQQDHUUHIOK-BRWVUGGUSA-N 1 3 311.514 2.449 20 0 DEADHO C[C@H](CCCC[NH2+]C/C=C/Cl)NC(=O)CN1CC[C@@H](C)C1 ZINC001175265508 794173072 /nfs/dbraw/zinc/17/30/72/794173072.db2.gz YXVRJUBBYULVOM-VZLFFANISA-N 1 3 315.889 2.345 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CCCC[NH2+]C/C=C/Cl ZINC001176352042 794412877 /nfs/dbraw/zinc/41/28/77/794412877.db2.gz ZEPPIXCFOIISBZ-HOSRBBHYSA-N 1 3 312.845 2.278 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)CCCC[NH2+]C/C=C\Cl ZINC001176760062 794498899 /nfs/dbraw/zinc/49/88/99/794498899.db2.gz PGNBKGYEYKCMRC-LEJCZOIISA-N 1 3 303.878 2.344 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NCCC[NH2+]CCC1CC1 ZINC001176948158 794538231 /nfs/dbraw/zinc/53/82/31/794538231.db2.gz IVONGCUZKWOGGB-UHFFFAOYSA-N 1 3 303.450 2.258 20 0 DEADHO CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001112353592 794611198 /nfs/dbraw/zinc/61/11/98/794611198.db2.gz QCQXOGGIBOYZHH-SCTDSRPQSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](F)C[NH2+]CCCCCCNC(=O)C1(N(C)C)CCC1 ZINC001178693239 794977537 /nfs/dbraw/zinc/97/75/37/794977537.db2.gz MJWCWPKWHGLHKZ-OAHLLOKOSA-N 1 3 315.477 2.485 20 0 DEADHO CN(CC[N@H+](C)Cc1ccccc1)C(=O)[C@H]1CCCCN1C ZINC001178696826 794978981 /nfs/dbraw/zinc/97/89/81/794978981.db2.gz ZSFZGFWIFPCQMG-QGZVFWFLSA-N 1 3 303.450 2.061 20 0 DEADHO CN(CC[N@@H+](C)Cc1ccccc1)C(=O)[C@H]1CCCCN1C ZINC001178696826 794978985 /nfs/dbraw/zinc/97/89/85/794978985.db2.gz ZSFZGFWIFPCQMG-QGZVFWFLSA-N 1 3 303.450 2.061 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCC(C)(C)C)[C@@H]1C ZINC001179534536 795127468 /nfs/dbraw/zinc/12/74/68/795127468.db2.gz OFPUHTKFYRDSQK-PMPSAXMXSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCCCCC[NH2+]C/C=C\Cl)C1 ZINC001179585771 795146204 /nfs/dbraw/zinc/14/62/04/795146204.db2.gz LCCBDLSXZUXBNQ-LYASGUKUSA-N 1 3 315.889 2.347 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCCCCC[NH2+]CC[C@H](C)F ZINC001180159016 795252978 /nfs/dbraw/zinc/25/29/78/795252978.db2.gz UFHVFRWNQDCJOT-ZDUSSCGKSA-N 1 3 312.433 2.275 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CCCF ZINC001180373079 795292666 /nfs/dbraw/zinc/29/26/66/795292666.db2.gz RKJCLHXLAGJCAY-MRXNPFEDSA-N 1 3 315.477 2.487 20 0 DEADHO C[C@H](C(=O)N(C)CCN(C)Cc1ccccc1)[NH+]1CCCC1 ZINC001180578780 795323971 /nfs/dbraw/zinc/32/39/71/795323971.db2.gz KKRSFCGHUKZAPU-MRXNPFEDSA-N 1 3 303.450 2.061 20 0 DEADHO CC[C@H](C(=O)NC1CC2(C1)CC([NH2+]CC=C(C)C)C2)N(C)C ZINC001121289490 795612967 /nfs/dbraw/zinc/61/29/67/795612967.db2.gz UYYJFKBQESBIGN-LMBQMVEXSA-N 1 3 307.482 2.310 20 0 DEADHO CC(C)=CC[NH2+]C1CC2(CC(NC(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001121772530 795685812 /nfs/dbraw/zinc/68/58/12/795685812.db2.gz CSHFUSAWBRMBFQ-KZIPQDEESA-N 1 3 319.493 2.311 20 0 DEADHO CC[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CC[C@H](C)F)C2)N(C)C ZINC001121798597 795688948 /nfs/dbraw/zinc/68/89/48/795688948.db2.gz QWBHDESVKOQSKR-PHUJGXCVSA-N 1 3 313.461 2.092 20 0 DEADHO CC[C@H](F)C[NH2+]C1CC2(CC(NC(=O)CN(CC)CC)C2)C1 ZINC001121935881 795706840 /nfs/dbraw/zinc/70/68/40/795706840.db2.gz XGKDINOMJLISHP-DPGVGJJJSA-N 1 3 313.461 2.093 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCC2)C1 ZINC001182614726 795722407 /nfs/dbraw/zinc/72/24/07/795722407.db2.gz OLXHRKMEZIEKMP-GPMSIDNRSA-N 1 3 321.509 2.345 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1CC2(C1)CC([NH2+]CC[C@@H](C)F)C2 ZINC001122118706 795727779 /nfs/dbraw/zinc/72/77/79/795727779.db2.gz RIQXCXBCQLPCDV-GDNKFMEPSA-N 1 3 322.428 2.026 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@@H](NC/C=C/Cl)C1 ZINC001183254828 795839530 /nfs/dbraw/zinc/83/95/30/795839530.db2.gz HDNZFFQVVBERAK-PWZNUNQRSA-N 1 3 313.873 2.192 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@@H](NC/C=C/Cl)C1 ZINC001183254828 795839534 /nfs/dbraw/zinc/83/95/34/795839534.db2.gz HDNZFFQVVBERAK-PWZNUNQRSA-N 1 3 313.873 2.192 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCC2)C1 ZINC001183517053 795879803 /nfs/dbraw/zinc/87/98/03/795879803.db2.gz MKZGYLOCJOMARX-CRAIPNDOSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CC(C)C2)C1 ZINC001183517157 795879818 /nfs/dbraw/zinc/87/98/18/795879818.db2.gz RSIVABLIRHBILF-MPLMCADHSA-N 1 3 323.525 2.447 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1)N(C)C ZINC001183581846 795896583 /nfs/dbraw/zinc/89/65/83/795896583.db2.gz MNLJNKASBVEPII-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO c1cncc(C[N@H+]2CCC3(C2)CCN(Cc2cncnc2)CC3)c1 ZINC001137667359 796124345 /nfs/dbraw/zinc/12/43/45/796124345.db2.gz LINVIUQTHCISLB-UHFFFAOYSA-N 1 3 323.444 2.360 20 0 DEADHO c1cncc(C[N@@H+]2CCC3(C2)CCN(Cc2cncnc2)CC3)c1 ZINC001137667359 796124349 /nfs/dbraw/zinc/12/43/49/796124349.db2.gz LINVIUQTHCISLB-UHFFFAOYSA-N 1 3 323.444 2.360 20 0 DEADHO CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001185676481 796308334 /nfs/dbraw/zinc/30/83/34/796308334.db2.gz YWXVZZHRKYXZBZ-OGZRUICASA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]CC2CCC2)[C@H](C)C1 ZINC001185751272 796315545 /nfs/dbraw/zinc/31/55/45/796315545.db2.gz OPCHOVARGMDHBC-NVXWUHKLSA-N 1 3 309.498 2.201 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001186452276 796402936 /nfs/dbraw/zinc/40/29/36/796402936.db2.gz NQUGYURQWYWBBL-GOSISDBHSA-N 1 3 317.477 2.336 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001187290864 796515016 /nfs/dbraw/zinc/51/50/16/796515016.db2.gz AASCVHRXRMTOJK-MRXNPFEDSA-N 1 3 323.868 2.372 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001187322681 796517370 /nfs/dbraw/zinc/51/73/70/796517370.db2.gz RJNFWJRNTJUSIZ-GOSISDBHSA-N 1 3 317.477 2.336 20 0 DEADHO CCN(CCC[NH+](C)C)Cc1ccccc1N1CCN(C)CC1 ZINC001140974742 796609526 /nfs/dbraw/zinc/60/95/26/796609526.db2.gz IURLXCLQPHORRT-UHFFFAOYSA-N 1 3 318.509 2.212 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001188139070 796630715 /nfs/dbraw/zinc/63/07/15/796630715.db2.gz HEXPEQRDANYIKU-WMLDXEAASA-N 1 3 321.440 2.417 20 0 DEADHO Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001188145946 796632849 /nfs/dbraw/zinc/63/28/49/796632849.db2.gz SDDFRRMJRPADLW-QGZVFWFLSA-N 1 3 303.450 2.026 20 0 DEADHO COCCN(Cc1ccnc2[nH]ccc21)C1CC[NH+](C)CC1 ZINC001142880776 796780010 /nfs/dbraw/zinc/78/00/10/796780010.db2.gz HUPKCVGGFNZKSK-UHFFFAOYSA-N 1 3 302.422 2.106 20 0 DEADHO CC(C)CCC[N@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190643422 797048240 /nfs/dbraw/zinc/04/82/40/797048240.db2.gz BQINFGJQUGSQOV-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190643422 797048247 /nfs/dbraw/zinc/04/82/47/797048247.db2.gz BQINFGJQUGSQOV-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CN(CC(=O)N1CC[C@H]([N@H+](C)CCCCCF)C1)C1CCC1 ZINC001190675357 797055114 /nfs/dbraw/zinc/05/51/14/797055114.db2.gz LANOJNANAAICFF-INIZCTEOSA-N 1 3 313.461 2.143 20 0 DEADHO CN(CC(=O)N1CC[C@H]([N@@H+](C)CCCCCF)C1)C1CCC1 ZINC001190675357 797055123 /nfs/dbraw/zinc/05/51/23/797055123.db2.gz LANOJNANAAICFF-INIZCTEOSA-N 1 3 313.461 2.143 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC[NH2+]CCCCC(F)(F)F ZINC001152149450 797150251 /nfs/dbraw/zinc/15/02/51/797150251.db2.gz XTZLWDPSVPRNKT-STQMWFEESA-N 1 3 323.403 2.298 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCc2ccccc21 ZINC001152457068 797190588 /nfs/dbraw/zinc/19/05/88/797190588.db2.gz ARFRBANVCFTVJZ-QZTJIDSGSA-N 1 3 315.461 2.254 20 0 DEADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)c(C)s1 ZINC001192152330 797328625 /nfs/dbraw/zinc/32/86/25/797328625.db2.gz FVQWLLFGWFFFOU-INIZCTEOSA-N 1 3 323.506 2.349 20 0 DEADHO CN(CC(=O)N1CC[C@H]([N@H+](C)CCC2CC2)C1)CC(C)(C)C ZINC001192398450 797384006 /nfs/dbraw/zinc/38/40/06/797384006.db2.gz QJXYFAVYZYFGLJ-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CN(CC(=O)N1CC[C@H]([N@@H+](C)CCC2CC2)C1)CC(C)(C)C ZINC001192398450 797384012 /nfs/dbraw/zinc/38/40/12/797384012.db2.gz QJXYFAVYZYFGLJ-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CN(CC(=O)N1CC[C@@H]([N@H+](C)CC2CCC2)C1)CC(C)(C)C ZINC001192406295 797387289 /nfs/dbraw/zinc/38/72/89/797387289.db2.gz FHCUBKJPBYFNBX-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CN(CC(=O)N1CC[C@@H]([N@@H+](C)CC2CCC2)C1)CC(C)(C)C ZINC001192406295 797387295 /nfs/dbraw/zinc/38/72/95/797387295.db2.gz FHCUBKJPBYFNBX-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1cccc(F)c1)N(C)C ZINC001153998511 797439457 /nfs/dbraw/zinc/43/94/57/797439457.db2.gz UNYVUWSIUNLHOS-RHSMWYFYSA-N 1 3 323.456 2.493 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cccc(F)c1)N(C)C ZINC001153998511 797439460 /nfs/dbraw/zinc/43/94/60/797439460.db2.gz UNYVUWSIUNLHOS-RHSMWYFYSA-N 1 3 323.456 2.493 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CC1CC(F)(F)C1)N(C)C ZINC001154000973 797440668 /nfs/dbraw/zinc/44/06/68/797440668.db2.gz NDFMIHGQCIRTDC-TZMCWYRMSA-N 1 3 319.440 2.199 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC1CC(F)(F)C1)N(C)C ZINC001154000973 797440670 /nfs/dbraw/zinc/44/06/70/797440670.db2.gz NDFMIHGQCIRTDC-TZMCWYRMSA-N 1 3 319.440 2.199 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1cccc(F)c1)N(C)C ZINC001155289483 797726615 /nfs/dbraw/zinc/72/66/15/797726615.db2.gz UNYVUWSIUNLHOS-PBHICJAKSA-N 1 3 323.456 2.493 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cccc(F)c1)N(C)C ZINC001155289483 797726616 /nfs/dbraw/zinc/72/66/16/797726616.db2.gz UNYVUWSIUNLHOS-PBHICJAKSA-N 1 3 323.456 2.493 20 0 DEADHO NCc1cc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)ncn1 ZINC001156319065 797972993 /nfs/dbraw/zinc/97/29/93/797972993.db2.gz UXHUSYZYTXPJTC-BPQIPLTHSA-N 1 3 323.444 2.258 20 0 DEADHO NCc1cc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)ncn1 ZINC001156319065 797972999 /nfs/dbraw/zinc/97/29/99/797972999.db2.gz UXHUSYZYTXPJTC-BPQIPLTHSA-N 1 3 323.444 2.258 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001196010522 797993278 /nfs/dbraw/zinc/99/32/78/797993278.db2.gz PILMPLMDIXPCKY-HZPDHXFCSA-N 1 3 315.477 2.247 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001196010522 797993281 /nfs/dbraw/zinc/99/32/81/797993281.db2.gz PILMPLMDIXPCKY-HZPDHXFCSA-N 1 3 315.477 2.247 20 0 DEADHO CN(Cc1ccc(N2C[C@H]3CCC[N@H+](C)[C@@H]3C2)nc1)C1CC1 ZINC001157272580 798175241 /nfs/dbraw/zinc/17/52/41/798175241.db2.gz ORGMAGNGIFNSSD-NVXWUHKLSA-N 1 3 300.450 2.206 20 0 DEADHO CN(Cc1ccc(N2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)nc1)C1CC1 ZINC001157272580 798175244 /nfs/dbraw/zinc/17/52/44/798175244.db2.gz ORGMAGNGIFNSSD-NVXWUHKLSA-N 1 3 300.450 2.206 20 0 DEADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCCN(CCCCCF)CC2)C1 ZINC001197816925 798248086 /nfs/dbraw/zinc/24/80/86/798248086.db2.gz AYHRHCKKXJUXIF-INIZCTEOSA-N 1 3 313.461 2.002 20 0 DEADHO C[N@H+]1CC[C@@H](CC(=O)N2CCCN(CCCCCF)CC2)C1 ZINC001197816925 798248089 /nfs/dbraw/zinc/24/80/89/798248089.db2.gz AYHRHCKKXJUXIF-INIZCTEOSA-N 1 3 313.461 2.002 20 0 DEADHO CSc1ccnc(N2CCN(CC3CC[NH+](C)CC3)CC2)c1 ZINC001157841359 798290944 /nfs/dbraw/zinc/29/09/44/798290944.db2.gz DDMWQHGOSRJQGR-UHFFFAOYSA-N 1 3 320.506 2.267 20 0 DEADHO CC1(C)C[C@H](Nc2ncc3c(n2)CCNC3)C[C@](C)(C[NH3+])C1 ZINC001158269551 798371455 /nfs/dbraw/zinc/37/14/55/798371455.db2.gz SCAOPKKNMFBSKV-GUYCJALGSA-N 1 3 303.454 2.078 20 0 DEADHO Cc1ccc(C)c(C[NH2+]CCCNC(=O)C2(N(C)C)CCC2)c1 ZINC001159847202 798617635 /nfs/dbraw/zinc/61/76/35/798617635.db2.gz VCIQOUFCOMLLOI-UHFFFAOYSA-N 1 3 317.477 2.384 20 0 DEADHO CN(CC(=O)NCCC[NH2+]Cc1ccccc1Cl)C1CCC1 ZINC001159997590 798638066 /nfs/dbraw/zinc/63/80/66/798638066.db2.gz SXLOVHRNZUKURV-UHFFFAOYSA-N 1 3 323.868 2.420 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC[NH2+]C[C@H]1CCC(F)(F)C1)N(C)C ZINC001160426490 798686385 /nfs/dbraw/zinc/68/63/85/798686385.db2.gz GKBZOASUBLBFTO-KBPBESRZSA-N 1 3 319.440 2.104 20 0 DEADHO C[NH+](C)C1(C)CN(C(=O)[C@@H]2CCC[C@H](c3ccccc3)N2)C1 ZINC001160644259 798714374 /nfs/dbraw/zinc/71/43/74/798714374.db2.gz AYCIYKIKQBJWTM-CVEARBPZSA-N 1 3 301.434 2.032 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+]C[C@@H]1CCCC(F)(F)C1)N(C)C ZINC001160883824 798755455 /nfs/dbraw/zinc/75/54/55/798755455.db2.gz VZTUKTYDCOCYCS-ZIAGYGMSSA-N 1 3 319.440 2.248 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC1=CC[N@H+](CC2CC2)CC1 ZINC001161953067 798978681 /nfs/dbraw/zinc/97/86/81/798978681.db2.gz PKLUEEAXVCOKHN-GOSISDBHSA-N 1 3 319.493 2.409 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CC2CC2)CC1 ZINC001161953067 798978687 /nfs/dbraw/zinc/97/86/87/798978687.db2.gz PKLUEEAXVCOKHN-GOSISDBHSA-N 1 3 319.493 2.409 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001202496465 798987516 /nfs/dbraw/zinc/98/75/16/798987516.db2.gz RWEKGKPPBRLHDG-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)N(CC[NH2+]CC)CCc1ccccc1 ZINC001162986911 799216018 /nfs/dbraw/zinc/21/60/18/799216018.db2.gz DNAOKOWOCHXMEN-UHFFFAOYSA-N 1 3 305.466 2.009 20 0 DEADHO CCN(CC)CCNC(=[NH2+])Nc1ncnc2cccc(F)c21 ZINC001163126351 799253485 /nfs/dbraw/zinc/25/34/85/799253485.db2.gz RBPDTHWGBYLJIE-UHFFFAOYSA-N 1 3 304.373 2.047 20 0 DEADHO C[C@H]1CCCCN1c1cccc(NC[C@]23C[NH2+]C[C@H]2COC3)n1 ZINC001163154498 799263798 /nfs/dbraw/zinc/26/37/98/799263798.db2.gz VIGIQDNTGKIKFX-MPGHIAIKSA-N 1 3 316.449 2.108 20 0 DEADHO COC(=O)Cc1cc(NCc2cccc(C[NH+](C)C)c2)ccn1 ZINC001163998672 799477031 /nfs/dbraw/zinc/47/70/31/799477031.db2.gz INDWDYZADUXEOL-UHFFFAOYSA-N 1 3 313.401 2.471 20 0 DEADHO COc1ccc(NCC2(N(C)C)CC[NH+](C)CC2)c(C)c1OC ZINC001164212916 799540245 /nfs/dbraw/zinc/54/02/45/799540245.db2.gz KHDSUGPNWJYPIQ-UHFFFAOYSA-N 1 3 321.465 2.450 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001166626105 799904177 /nfs/dbraw/zinc/90/41/77/799904177.db2.gz APPPBERKEXQOFO-UONOGXRCSA-N 1 3 317.424 2.002 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)CN2CCC[C@@H]2C)c(C)c1 ZINC001166626329 799905325 /nfs/dbraw/zinc/90/53/25/799905325.db2.gz DIQRPZODRPBPOD-KRWDZBQOSA-N 1 3 317.477 2.384 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]C/C=C\c1ccccc1 ZINC001166633356 799907365 /nfs/dbraw/zinc/90/73/65/799907365.db2.gz DXLASVGAPHIMFM-NGNXSQLZSA-N 1 3 315.461 2.280 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+][C@H](C)c1ccccc1F)N(C)C ZINC001166852509 799965889 /nfs/dbraw/zinc/96/58/89/799965889.db2.gz RUIFZXQUBWBBLP-CJNGLKHVSA-N 1 3 309.429 2.323 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1ccccc1Cl)N(C)C ZINC001166858062 799966647 /nfs/dbraw/zinc/96/66/47/799966647.db2.gz MGZIWBRBWOTZOS-HNNXBMFYSA-N 1 3 311.857 2.276 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]([NH2+]CCC(C)C)C12CCC2 ZINC001203630237 800094450 /nfs/dbraw/zinc/09/44/50/800094450.db2.gz FNPNPNDGSBOBAP-JKSUJKDBSA-N 1 3 309.498 2.391 20 0 DEADHO O=C(CN1CCCC1)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001203714550 800111277 /nfs/dbraw/zinc/11/12/77/800111277.db2.gz OETJFMUUFCOJPN-UHFFFAOYSA-N 1 3 307.482 2.243 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000934171907 800281431 /nfs/dbraw/zinc/28/14/31/800281431.db2.gz JPVOAPUZYRSZOK-QGZVFWFLSA-N 1 3 307.482 2.382 20 0 DEADHO COCCCOc1cc(CN2CCC(C[NH3+])CC2)ccc1OC ZINC001205046744 800290803 /nfs/dbraw/zinc/29/08/03/800290803.db2.gz LLNKPKORBISVBK-UHFFFAOYSA-N 1 3 322.449 2.281 20 0 DEADHO COC(=O)c1ccc2c(CN3CCC[C@H]([NH3+])CC3)c[nH]c2c1 ZINC001205101391 800296516 /nfs/dbraw/zinc/29/65/16/800296516.db2.gz DXFCPRMURUGKOE-AWEZNQCLSA-N 1 3 301.390 2.268 20 0 DEADHO [NH3+]C[C@]1(O)CCCN(Cc2ccccc2C(F)(F)F)CC1 ZINC001205208557 800317183 /nfs/dbraw/zinc/31/71/83/800317183.db2.gz DEBHSDXZFIWUSC-AWEZNQCLSA-N 1 3 302.340 2.381 20 0 DEADHO CN(CC(=O)N1CCC(C[NH2+]CCC2CC2)CC1)C1CCC1 ZINC001205469650 800360590 /nfs/dbraw/zinc/36/05/90/800360590.db2.gz QMLLPDMOPIEBRE-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO COC(=O)c1ccc(CN2CCC[C@](F)(C[NH3+])CC2)c(OC)c1 ZINC001205559919 800377358 /nfs/dbraw/zinc/37/73/58/800377358.db2.gz XGDNSOJYEDMYLR-QGZVFWFLSA-N 1 3 324.396 2.135 20 0 DEADHO Nc1ccc(OC(F)(F)F)cc1C[N@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001206174243 800484773 /nfs/dbraw/zinc/48/47/73/800484773.db2.gz MUJATNTXBVNTJE-WCQYABFASA-N 1 3 321.318 2.429 20 0 DEADHO Nc1ccc(OC(F)(F)F)cc1C[N@@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001206174243 800484775 /nfs/dbraw/zinc/48/47/75/800484775.db2.gz MUJATNTXBVNTJE-WCQYABFASA-N 1 3 321.318 2.429 20 0 DEADHO CCCC[NH+]1CCC(N(C)CC(C)(C)N2CCOCC2)CC1 ZINC001207308217 800727149 /nfs/dbraw/zinc/72/71/49/800727149.db2.gz VRLPGWXBKJZOJL-UHFFFAOYSA-N 1 3 311.514 2.294 20 0 DEADHO C[NH+]1CCC(CN2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)CC1 ZINC001207395141 800742808 /nfs/dbraw/zinc/74/28/08/800742808.db2.gz PXYMJGRELPVKLN-GJZGRUSLSA-N 1 3 309.454 2.022 20 0 DEADHO CC[NH+](CC)CCCN1CCN(CC[C@H](C)SC)CC1 ZINC001208146944 800920815 /nfs/dbraw/zinc/92/08/15/800920815.db2.gz KEEXLRFQBYXDKW-INIZCTEOSA-N 1 3 301.544 2.478 20 0 DEADHO Cc1cncnc1O[C@@H]1CC[N@@H+](CC2(CN(C)C)CCCC2)C1 ZINC001208188771 800927398 /nfs/dbraw/zinc/92/73/98/800927398.db2.gz NLILFBLMSNYOEV-MRXNPFEDSA-N 1 3 318.465 2.360 20 0 DEADHO Cc1cncnc1O[C@@H]1CC[N@H+](CC2(CN(C)C)CCCC2)C1 ZINC001208188771 800927401 /nfs/dbraw/zinc/92/74/01/800927401.db2.gz NLILFBLMSNYOEV-MRXNPFEDSA-N 1 3 318.465 2.360 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]CC2CC(C)C2)C1 ZINC001208447795 800984417 /nfs/dbraw/zinc/98/44/17/800984417.db2.gz QOFVXQCCLNECGV-GPANFISMSA-N 1 3 309.498 2.343 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001208454061 800986330 /nfs/dbraw/zinc/98/63/30/800986330.db2.gz RVEFOWFLWZLLTA-GFCCVEGCSA-N 1 3 323.403 2.250 20 0 DEADHO CC[NH+]1CCC(CN2CC(N3CCC(F)(F)CC3)C2)CC1 ZINC001208597988 801023874 /nfs/dbraw/zinc/02/38/74/801023874.db2.gz OWNWZZCKEMEOKJ-UHFFFAOYSA-N 1 3 301.425 2.134 20 0 DEADHO CC[NH+]1CCC(CN2CCN(c3ccc(C)cn3)CC2)CC1 ZINC001208597639 801024055 /nfs/dbraw/zinc/02/40/55/801024055.db2.gz JYSOLXZNAWYLGK-UHFFFAOYSA-N 1 3 302.466 2.244 20 0 DEADHO CCCN1C[C@@H]2C[N@@H+](C[C@H]3CC[C@H](C(=O)OC)CC3)C[C@@H]2C1 ZINC001208631896 801039754 /nfs/dbraw/zinc/03/97/54/801039754.db2.gz FOPDFVQBPMKUCA-KGASUQACSA-N 1 3 308.466 2.239 20 0 DEADHO CCCN1C[C@@H]2C[N@H+](C[C@H]3CC[C@H](C(=O)OC)CC3)C[C@@H]2C1 ZINC001208631896 801039761 /nfs/dbraw/zinc/03/97/61/801039761.db2.gz FOPDFVQBPMKUCA-KGASUQACSA-N 1 3 308.466 2.239 20 0 DEADHO C[N@H+](CCC(=O)N1CCC[C@@H](NCCF)C1)C1CCCCC1 ZINC001208760141 801065553 /nfs/dbraw/zinc/06/55/53/801065553.db2.gz WXFSLEXRMIKNCN-OAHLLOKOSA-N 1 3 313.461 2.191 20 0 DEADHO C[N@@H+](CCC(=O)N1CCC[C@@H](NCCF)C1)C1CCCCC1 ZINC001208760141 801065559 /nfs/dbraw/zinc/06/55/59/801065559.db2.gz WXFSLEXRMIKNCN-OAHLLOKOSA-N 1 3 313.461 2.191 20 0 DEADHO O[C@@H]1CCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[C@H]1F ZINC001208941849 801099117 /nfs/dbraw/zinc/09/91/17/801099117.db2.gz NJVXFXWTRUZAMU-RCCFBDPRSA-N 1 3 306.425 2.303 20 0 DEADHO O[C@@H]1CCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[C@H]1F ZINC001208941849 801099120 /nfs/dbraw/zinc/09/91/20/801099120.db2.gz NJVXFXWTRUZAMU-RCCFBDPRSA-N 1 3 306.425 2.303 20 0 DEADHO CN1CC2(C1)CC[NH+](CCCCNC(=O)OC(C)(C)C)CC2 ZINC001209367640 801176129 /nfs/dbraw/zinc/17/61/29/801176129.db2.gz SVBQOFUOBQJRMM-UHFFFAOYSA-N 1 3 311.470 2.319 20 0 DEADHO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN(C[C@H]3C[C@@H]3C)CC2)C1 ZINC001209419837 801189430 /nfs/dbraw/zinc/18/94/30/801189430.db2.gz ZFMOQCYGEYXBSR-ARFHVFGLSA-N 1 3 308.466 2.382 20 0 DEADHO CCOC(=O)[C@@H]1CCC[N@H+](C2CCN(C[C@H]3C[C@@H]3C)CC2)C1 ZINC001209419837 801189435 /nfs/dbraw/zinc/18/94/35/801189435.db2.gz ZFMOQCYGEYXBSR-ARFHVFGLSA-N 1 3 308.466 2.382 20 0 DEADHO C[C@H](N[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)c1ccccc1F ZINC001209446473 801192896 /nfs/dbraw/zinc/19/28/96/801192896.db2.gz RNYCKKUIFOSIKQ-GJZGRUSLSA-N 1 3 321.440 2.419 20 0 DEADHO CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001209640353 801242851 /nfs/dbraw/zinc/24/28/51/801242851.db2.gz AYFLPLWVZLEFFC-XPQDNOAISA-N 1 3 307.482 2.265 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CCC(C)(C)C)C2)C1 ZINC001209642495 801243355 /nfs/dbraw/zinc/24/33/55/801243355.db2.gz OCOZLANMMFGRAO-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)NC1CC[NH+](CC2CC(C)(C)C2)CC1)N(C)C ZINC001229254114 801248574 /nfs/dbraw/zinc/24/85/74/801248574.db2.gz PUCNBCQINFILNV-INIZCTEOSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001229933923 801339055 /nfs/dbraw/zinc/33/90/55/801339055.db2.gz YQTJJRFQFXYMJC-NWANDNLSSA-N 1 3 306.454 2.324 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001210216853 801352586 /nfs/dbraw/zinc/35/25/86/801352586.db2.gz AJQRSQKQRXSOKX-QGZVFWFLSA-N 1 3 321.440 2.248 20 0 DEADHO CCN(CC)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CC2)CC1 ZINC001230611597 801436743 /nfs/dbraw/zinc/43/67/43/801436743.db2.gz VFKDEGXHWGSNDE-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CCN(CC)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CC2)CC1 ZINC001230611597 801436747 /nfs/dbraw/zinc/43/67/47/801436747.db2.gz VFKDEGXHWGSNDE-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001210811298 801468757 /nfs/dbraw/zinc/46/87/57/801468757.db2.gz LCGVAGYLEWAUPH-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]C/C=C\Cl ZINC001215567910 801877971 /nfs/dbraw/zinc/87/79/71/801877971.db2.gz GIVCSACQMZLYEU-YOIVVXPQSA-N 1 3 315.889 2.153 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C)C1 ZINC001216503299 801981687 /nfs/dbraw/zinc/98/16/87/801981687.db2.gz NUXDGUCVVADWCX-SJLPKXTDSA-N 1 3 317.477 2.273 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC001216511786 801981937 /nfs/dbraw/zinc/98/19/37/801981937.db2.gz ZXQOZWHPIGXHRF-GVDBMIGSSA-N 1 3 311.514 2.447 20 0 DEADHO C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cccc([O-])c1F ZINC001233053652 802018965 /nfs/dbraw/zinc/01/89/65/802018965.db2.gz UFXJITDKGRWWRO-UHFFFAOYSA-N 1 3 311.445 2.237 20 0 DEADHO CC1(C)N[C@H](CO[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CO1 ZINC001217823244 802113623 /nfs/dbraw/zinc/11/36/23/802113623.db2.gz PEKHHMMTPVIPOG-IAGOWNOFSA-N 1 3 304.434 2.392 20 0 DEADHO CC1(C)N[C@H](CO[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CO1 ZINC001217823244 802113626 /nfs/dbraw/zinc/11/36/26/802113626.db2.gz PEKHHMMTPVIPOG-IAGOWNOFSA-N 1 3 304.434 2.392 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC001218518844 802196773 /nfs/dbraw/zinc/19/67/73/802196773.db2.gz PSAZJCUJMYTZJY-QMMMGPOBSA-N 1 3 324.372 2.160 20 0 DEADHO Cc1nc2ccccn2c1NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001218590812 802211698 /nfs/dbraw/zinc/21/16/98/802211698.db2.gz VUQIJUISCVHNSK-AWEZNQCLSA-N 1 3 317.437 2.077 20 0 DEADHO [NH3+][C@H](CC(=O)Nc1cc([C@H]2CCCN2)no1)Cc1cccs1 ZINC001218710701 802230572 /nfs/dbraw/zinc/23/05/72/802230572.db2.gz KZAOKCOAYSHYQU-CMPLNLGQSA-N 1 3 320.418 2.059 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccccc1N(C)C ZINC001218835671 802247669 /nfs/dbraw/zinc/24/76/69/802247669.db2.gz KBZMBSNHGMKLLK-AWEZNQCLSA-N 1 3 306.454 2.187 20 0 DEADHO CCC[C@H](N)C(=O)Nc1cc(F)ccc1OCC1CC[NH2+]CC1 ZINC001219131196 802288122 /nfs/dbraw/zinc/28/81/22/802288122.db2.gz XPZQFYLGNZMOAN-AWEZNQCLSA-N 1 3 323.412 2.270 20 0 DEADHO N[C@@H](CCC[NH3+])C(=O)Nc1cc(C2CCCCC2)ccc1O ZINC001219398651 802322955 /nfs/dbraw/zinc/32/29/55/802322955.db2.gz SCZRFXQLIANUJD-AWEZNQCLSA-N 1 3 305.422 2.445 20 0 DEADHO C[C@@]1([NH3+])C[C@H](NC(=O)C[C@H](N)c2cccc(C(F)(F)F)c2)C1 ZINC001221239241 802541032 /nfs/dbraw/zinc/54/10/32/802541032.db2.gz KIEHRSWXWFHOOV-SGMGOOAPSA-N 1 3 315.339 2.091 20 0 DEADHO [NH3+]CCCCNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001221348174 802558255 /nfs/dbraw/zinc/55/82/55/802558255.db2.gz VLSHDWILZDVMFI-OAHLLOKOSA-N 1 3 323.868 2.407 20 0 DEADHO CC1(C)NC[C@@H](C[NH+]2CCC3(CNc4ccc(F)cc43)CC2)O1 ZINC001222326367 802669874 /nfs/dbraw/zinc/66/98/74/802669874.db2.gz WWCJJRCMPJXQQS-AWEZNQCLSA-N 1 3 319.424 2.309 20 0 DEADHO CC(C)=CCC[C@@H](C)CC[N@@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001222521518 802700590 /nfs/dbraw/zinc/70/05/90/802700590.db2.gz ULMRLVGZUHYCQP-APWZRJJASA-N 1 3 319.493 2.171 20 0 DEADHO CC(C)=CCC[C@@H](C)CC[N@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001222521518 802700595 /nfs/dbraw/zinc/70/05/95/802700595.db2.gz ULMRLVGZUHYCQP-APWZRJJASA-N 1 3 319.493 2.171 20 0 DEADHO CC[C@H](F)C[NH+]1CCC(CNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001224534974 802879731 /nfs/dbraw/zinc/87/97/31/802879731.db2.gz BMNJBLZXCKALOO-HOCLYGCPSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@@H](C(=O)NCC1CC[NH+](Cc2ccsc2)CC1)N(C)C ZINC001224583355 802883919 /nfs/dbraw/zinc/88/39/19/802883919.db2.gz RGKCVTNTMURUPH-INIZCTEOSA-N 1 3 323.506 2.417 20 0 DEADHO CN(C)Cc1cc(C[NH+](C)C)cc(CN(C)C)c1OC1CC1 ZINC001227160019 803209341 /nfs/dbraw/zinc/20/93/41/803209341.db2.gz BCOYJWUTLHKXGU-UHFFFAOYSA-N 1 3 305.466 2.413 20 0 DEADHO CC[C@H](C(=O)NC1CC[NH+](CCc2cccs2)CC1)N(C)C ZINC001227986296 803302609 /nfs/dbraw/zinc/30/26/09/803302609.db2.gz CSXIPAFYHLNVFC-MRXNPFEDSA-N 1 3 323.506 2.211 20 0 DEADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC1)CC(C)(C)C ZINC001228623414 803381762 /nfs/dbraw/zinc/38/17/62/803381762.db2.gz ACTVBFCOAFWHAF-HZPDHXFCSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)c1ccc(CN2CC[C@@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001370014012 1149347452 /nfs/dbraw/zinc/34/74/52/1149347452.db2.gz HURNHSIFGNIGKO-GOSISDBHSA-N 1 3 317.477 2.452 20 0 DEADHO Cc1cccc([C@@H](C)N(C)CCNC(=O)CCC[NH+](C)C)c1 ZINC001418495810 1167717457 /nfs/dbraw/zinc/71/74/57/1167717457.db2.gz QVAVCKZERLJRIA-MRXNPFEDSA-N 1 3 305.466 2.446 20 0 DEADHO C[C@@H]([NH2+]Cc1ccccc1F)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001368847140 1148713564 /nfs/dbraw/zinc/71/35/64/1148713564.db2.gz SYCHVXKZAHHADI-KGLIPLIRSA-N 1 3 321.440 2.293 20 0 DEADHO CN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H](CNCCF)C1CC1 ZINC001331337942 1149422627 /nfs/dbraw/zinc/42/26/27/1149422627.db2.gz GVQWBYRDVJKBPD-QGZVFWFLSA-N 1 3 321.440 2.158 20 0 DEADHO C[C@@H](N[C@H]1CCN(C(=O)CC[NH+](C)C)C1)c1ccccc1F ZINC001370397081 1149644536 /nfs/dbraw/zinc/64/45/36/1149644536.db2.gz RZOYBJWEHLXASS-KGLIPLIRSA-N 1 3 307.413 2.029 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)CC1CC2(CCC2)C1)N(C)C ZINC001420630596 1169840901 /nfs/dbraw/zinc/84/09/01/1169840901.db2.gz GVMNRWHBBMXANH-ZBFHGGJFSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CC1CC2(CCC2)C1)N(C)C ZINC001420630596 1169840903 /nfs/dbraw/zinc/84/09/03/1169840903.db2.gz GVMNRWHBBMXANH-ZBFHGGJFSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+]2C[C@H]3CCC[C@@]3(N)C2)C1 ZINC001575188056 1069389249 /nfs/dbraw/zinc/38/92/49/1069389249.db2.gz WCFCXJNHVGDDSK-IIDMSEBBSA-N 1 3 323.481 2.447 20 0 DEADHO CC(C)(C)OC(=O)N1CCC[C@H](C[N@H+]2C[C@H]3CCC[C@@]3(N)C2)C1 ZINC001575188056 1069389255 /nfs/dbraw/zinc/38/92/55/1069389255.db2.gz WCFCXJNHVGDDSK-IIDMSEBBSA-N 1 3 323.481 2.447 20 0 DEADHO C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001603677938 1070039745 /nfs/dbraw/zinc/03/97/45/1070039745.db2.gz ANJVZNVZRBRBDG-NQBHXWOUSA-N 1 3 318.400 2.174 20 0 DEADHO C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001603677938 1070039762 /nfs/dbraw/zinc/03/97/62/1070039762.db2.gz ANJVZNVZRBRBDG-NQBHXWOUSA-N 1 3 318.400 2.174 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H](C)C1CN(CCc2cccs2)C1 ZINC001369096088 1148847903 /nfs/dbraw/zinc/84/79/03/1148847903.db2.gz OWMPVNRKEAEQFH-CQSZACIVSA-N 1 3 323.506 2.069 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H](C)C1CN(CCc2cccs2)C1 ZINC001369096088 1148847904 /nfs/dbraw/zinc/84/79/04/1148847904.db2.gz OWMPVNRKEAEQFH-CQSZACIVSA-N 1 3 323.506 2.069 20 0 DEADHO O=C(CC[NH+]1CCCCC1)N[C@H](CNCCF)C1CCCC1 ZINC001500131623 1058513905 /nfs/dbraw/zinc/51/39/05/1058513905.db2.gz QAEHKFZGMKHRMD-MRXNPFEDSA-N 1 3 313.461 2.097 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1(C)CC[NH+](CC[C@H](C)F)CC1 ZINC001500459555 1058802203 /nfs/dbraw/zinc/80/22/03/1058802203.db2.gz JXJLVKYIEBNACP-ZDUSSCGKSA-N 1 3 324.444 2.227 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC001467782018 1059702238 /nfs/dbraw/zinc/70/22/38/1059702238.db2.gz YIWVLKDWKOJQPB-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC001467782018 1059702246 /nfs/dbraw/zinc/70/22/46/1059702246.db2.gz YIWVLKDWKOJQPB-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO CCOC(=O)c1[nH]c(C)c(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)c1C ZINC001474303233 1060848831 /nfs/dbraw/zinc/84/88/31/1060848831.db2.gz USHHBGBTDDUJKX-NUEKZKHPSA-N 1 3 319.449 2.238 20 0 DEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCN(C)[C@H]2C)C1 ZINC001477866298 1061195837 /nfs/dbraw/zinc/19/58/37/1061195837.db2.gz ABSOBMVKGLQVJN-ARFHVFGLSA-N 1 3 324.513 2.279 20 0 DEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCN(C)[C@H]2C)C1 ZINC001477866298 1061195846 /nfs/dbraw/zinc/19/58/46/1061195846.db2.gz ABSOBMVKGLQVJN-ARFHVFGLSA-N 1 3 324.513 2.279 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC[C@@H](C)F)C1 ZINC001479298553 1061374036 /nfs/dbraw/zinc/37/40/36/1061374036.db2.gz IMRNVKMQEDFPAJ-WCVJEAGWSA-N 1 3 313.461 2.093 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001479400573 1061439092 /nfs/dbraw/zinc/43/90/92/1061439092.db2.gz RSMAHGTXUDSLSY-RBSFLKMASA-N 1 3 315.477 2.197 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001479724305 1061643139 /nfs/dbraw/zinc/64/31/39/1061643139.db2.gz JUEMAISOEWYBMY-AEFFLSMTSA-N 1 3 317.477 2.498 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001479724305 1061643147 /nfs/dbraw/zinc/64/31/47/1061643147.db2.gz JUEMAISOEWYBMY-AEFFLSMTSA-N 1 3 317.477 2.498 20 0 DEADHO CC(C)[C@H](CCN(C)C(=O)[C@@H]1CCCN1C)[NH2+]C/C=C\Cl ZINC001506159931 1061696336 /nfs/dbraw/zinc/69/63/36/1061696336.db2.gz UCMIWOUJEQTBRP-MYEIUBSTSA-N 1 3 315.889 2.296 20 0 DEADHO CN(CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)Cc1ccsc1 ZINC001479772078 1061724377 /nfs/dbraw/zinc/72/43/77/1061724377.db2.gz VXWRSCKTBLYFNP-MRXNPFEDSA-N 1 3 321.490 2.028 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[N@H+](C)CCCF ZINC001479800238 1061795679 /nfs/dbraw/zinc/79/56/79/1061795679.db2.gz JMDGNROGWKSLBC-HNNXBMFYSA-N 1 3 301.450 2.047 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[N@@H+](C)CCCF ZINC001479800238 1061795691 /nfs/dbraw/zinc/79/56/91/1061795691.db2.gz JMDGNROGWKSLBC-HNNXBMFYSA-N 1 3 301.450 2.047 20 0 DEADHO CCC[N@H+](CC)CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001479854533 1061917315 /nfs/dbraw/zinc/91/73/15/1061917315.db2.gz IPMLFZIQEGTYJT-QGZVFWFLSA-N 1 3 315.477 2.437 20 0 DEADHO CCC[N@@H+](CC)CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001479854533 1061917331 /nfs/dbraw/zinc/91/73/31/1061917331.db2.gz IPMLFZIQEGTYJT-QGZVFWFLSA-N 1 3 315.477 2.437 20 0 DEADHO CC[N@H+](CCCNC(=O)Cc1nc[nH]c1C)Cc1ccccc1 ZINC001479859125 1061932440 /nfs/dbraw/zinc/93/24/40/1061932440.db2.gz GQIBVYUINOIRSX-UHFFFAOYSA-N 1 3 314.433 2.289 20 0 DEADHO CC[N@@H+](CCCNC(=O)Cc1nc[nH]c1C)Cc1ccccc1 ZINC001479859125 1061932452 /nfs/dbraw/zinc/93/24/52/1061932452.db2.gz GQIBVYUINOIRSX-UHFFFAOYSA-N 1 3 314.433 2.289 20 0 DEADHO CN(CC(=O)N(C)C1CC[NH+](CC2CCC2)CC1)C1CCC1 ZINC001479889143 1061990653 /nfs/dbraw/zinc/99/06/53/1061990653.db2.gz UVTKJMADWXVCQZ-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)CC[NH2+][C@H](CNC(=O)[C@H]1CCCN1C(C)C)C1CC1 ZINC001480019733 1062195695 /nfs/dbraw/zinc/19/56/95/1062195695.db2.gz MOXXTQFJZXYMPW-IAGOWNOFSA-N 1 3 309.498 2.390 20 0 DEADHO CN(C)C1(C(=O)NC[C@@H]([NH2+]Cc2ccsc2)C2CC2)CCC1 ZINC001480021879 1062199286 /nfs/dbraw/zinc/19/92/86/1062199286.db2.gz AIBXYEBJQNTLKZ-OAHLLOKOSA-N 1 3 321.490 2.217 20 0 DEADHO CC(C)=CC[N@@H+](C)C[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001480085441 1062303852 /nfs/dbraw/zinc/30/38/52/1062303852.db2.gz RKAUTTPMUGEEHI-QZTJIDSGSA-N 1 3 321.509 2.465 20 0 DEADHO CC(C)=CC[N@H+](C)C[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001480085441 1062303871 /nfs/dbraw/zinc/30/38/71/1062303871.db2.gz RKAUTTPMUGEEHI-QZTJIDSGSA-N 1 3 321.509 2.465 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)CC1(C)C)N1CCCC1 ZINC001506753080 1062365522 /nfs/dbraw/zinc/36/55/22/1062365522.db2.gz NBSPLLINIMXCLG-HZPDHXFCSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](C(C)C)CC1(C)C)N1CCCC1 ZINC001506753080 1062365546 /nfs/dbraw/zinc/36/55/46/1062365546.db2.gz NBSPLLINIMXCLG-HZPDHXFCSA-N 1 3 309.498 2.342 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21 ZINC001506826339 1062413315 /nfs/dbraw/zinc/41/33/15/1062413315.db2.gz QHRMSGHAZZBXCK-NNZMDNLPSA-N 1 3 321.509 2.203 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCC3CCCC3)C[C@H]21 ZINC001506826339 1062413327 /nfs/dbraw/zinc/41/33/27/1062413327.db2.gz QHRMSGHAZZBXCK-NNZMDNLPSA-N 1 3 321.509 2.203 20 0 DEADHO Cc1ccc(F)cc1C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001480238262 1062501352 /nfs/dbraw/zinc/50/13/52/1062501352.db2.gz QSOOACGPDLTDJO-CALCHBBNSA-N 1 3 321.440 2.211 20 0 DEADHO CC/C=C\CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001507312265 1063080376 /nfs/dbraw/zinc/08/03/76/1063080376.db2.gz HKACGSPWOCNKGY-ILNYKDOHSA-N 1 3 307.482 2.406 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2csc(C)c2)C[C@@H]1C ZINC001507329262 1063104610 /nfs/dbraw/zinc/10/46/10/1063104610.db2.gz UGTHWJLUDCINKV-XJKSGUPXSA-N 1 3 323.506 2.477 20 0 DEADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCc2ccsc2)C[C@H]1C ZINC001507333234 1063111983 /nfs/dbraw/zinc/11/19/83/1063111983.db2.gz QZSSIEWLKJNBHM-UKRRQHHQSA-N 1 3 309.479 2.169 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCc2ccsc2)C[C@H]1C ZINC001507333234 1063112001 /nfs/dbraw/zinc/11/20/01/1063112001.db2.gz QZSSIEWLKJNBHM-UKRRQHHQSA-N 1 3 309.479 2.169 20 0 DEADHO CCCC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001480624943 1063120150 /nfs/dbraw/zinc/12/01/50/1063120150.db2.gz ZKLIDAYSIPRVIZ-KRWDZBQOSA-N 1 3 303.450 2.352 20 0 DEADHO CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)CCC)C[C@H]21 ZINC001507361416 1063152289 /nfs/dbraw/zinc/15/22/89/1063152289.db2.gz BDHDXORNGBXBSG-BRWVUGGUSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]C/C(Cl)=C/Cl)C1 ZINC001480675873 1063172997 /nfs/dbraw/zinc/17/29/97/1063172997.db2.gz JJGRQLFLFAONPD-BPLGCGBFSA-N 1 3 322.280 2.085 20 0 DEADHO CC[NH2+]CCc1ccc(CNC(=O)CN2[C@H](C)CC[C@H]2C)cc1 ZINC001480716395 1063235281 /nfs/dbraw/zinc/23/52/81/1063235281.db2.gz JFTDFNPCZXFAIP-HZPDHXFCSA-N 1 3 317.477 2.328 20 0 DEADHO CC[NH2+]C[C@@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)(C)C ZINC001508026857 1063502648 /nfs/dbraw/zinc/50/26/48/1063502648.db2.gz XGTGGQZPMRATLX-CXAGYDPISA-N 1 3 315.477 2.339 20 0 DEADHO CC[NH2+]C[C@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)(C)C ZINC001508026862 1063504904 /nfs/dbraw/zinc/50/49/04/1063504904.db2.gz XGTGGQZPMRATLX-GUYCJALGSA-N 1 3 315.477 2.339 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CC[N@H+](CC2CCCC2)C1)N1CCCC1 ZINC001493223120 1063648772 /nfs/dbraw/zinc/64/87/72/1063648772.db2.gz MAVDZMLWHYHGAQ-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CC[N@@H+](CC2CCCC2)C1)N1CCCC1 ZINC001493223120 1063648799 /nfs/dbraw/zinc/64/87/99/1063648799.db2.gz MAVDZMLWHYHGAQ-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)Cc1ccsc1 ZINC001493325036 1063718991 /nfs/dbraw/zinc/71/89/91/1063718991.db2.gz KBJVJVHOPXCUIY-OAHLLOKOSA-N 1 3 323.506 2.418 20 0 DEADHO CCCN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)Cc1ccsc1 ZINC001493325036 1063719002 /nfs/dbraw/zinc/71/90/02/1063719002.db2.gz KBJVJVHOPXCUIY-OAHLLOKOSA-N 1 3 323.506 2.418 20 0 DEADHO CN(CC(=O)NC[C@H]1CC[N@H+](CC2=CCCCC2)C1)C1CCC1 ZINC001567403157 1064181981 /nfs/dbraw/zinc/18/19/81/1064181981.db2.gz LKHJIDISTPMWAB-QGZVFWFLSA-N 1 3 319.493 2.409 20 0 DEADHO CN(CC(=O)NC[C@H]1CC[N@@H+](CC2=CCCCC2)C1)C1CCC1 ZINC001567403157 1064181984 /nfs/dbraw/zinc/18/19/84/1064181984.db2.gz LKHJIDISTPMWAB-QGZVFWFLSA-N 1 3 319.493 2.409 20 0 DEADHO CC(C)(C(=O)NCC1C[NH+](CC2CCCC2)C1)N1CCCCC1 ZINC001494550014 1064308537 /nfs/dbraw/zinc/30/85/37/1064308537.db2.gz DPEOTEYHQCZSOR-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)N(C)CC(=O)NCC1C[NH+](CC2CCC(C)CC2)C1 ZINC001494632227 1064369172 /nfs/dbraw/zinc/36/91/72/1064369172.db2.gz FHYQWYYHGDEFCC-UHFFFAOYSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@H](CNCCF)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001568295553 1064763041 /nfs/dbraw/zinc/76/30/41/1064763041.db2.gz XTNSGEQOBVKLQA-ZBFHGGJFSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H](CNCCF)N(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001568295553 1064763054 /nfs/dbraw/zinc/76/30/54/1064763054.db2.gz XTNSGEQOBVKLQA-ZBFHGGJFSA-N 1 3 313.461 2.190 20 0 DEADHO CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001568366316 1064809028 /nfs/dbraw/zinc/80/90/28/1064809028.db2.gz VWSJFBBHCBRKPF-YMEQAZQUSA-N 1 3 304.438 2.135 20 0 DEADHO CN(CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]C/C=C\Cl)C1CCC1 ZINC001568528864 1064940070 /nfs/dbraw/zinc/94/00/70/1064940070.db2.gz RQIDKBIPCCMSGT-PZGNSEATSA-N 1 3 313.873 2.098 20 0 DEADHO CC(C)(C(=O)N1CCC[C@@H]1C[NH2+]CCCF)N1CCCCC1 ZINC001495560604 1064982830 /nfs/dbraw/zinc/98/28/30/1064982830.db2.gz WDHUHJSDYCYLJA-OAHLLOKOSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC2(CC[N@H+](CCCF)C2)CC1 ZINC001495605534 1064999827 /nfs/dbraw/zinc/99/98/27/1064999827.db2.gz HRPNISCXNUIRRD-UHFFFAOYSA-N 1 3 313.461 2.001 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC2(CC[N@@H+](CCCF)C2)CC1 ZINC001495605534 1064999834 /nfs/dbraw/zinc/99/98/34/1064999834.db2.gz HRPNISCXNUIRRD-UHFFFAOYSA-N 1 3 313.461 2.001 20 0 DEADHO CCCC[NH2+]CC[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001568678107 1065044775 /nfs/dbraw/zinc/04/47/75/1065044775.db2.gz LAVZTRSAOKNAID-YOEHRIQHSA-N 1 3 315.477 2.483 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1cccc(F)c1)N(C)C ZINC001568699959 1065058998 /nfs/dbraw/zinc/05/89/98/1065058998.db2.gz IXRNZZKECISNPL-PBHICJAKSA-N 1 3 323.456 2.396 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCc1cccs1 ZINC001569056792 1065264123 /nfs/dbraw/zinc/26/41/23/1065264123.db2.gz PZXVLHYWVIJSOK-HOCLYGCPSA-N 1 3 323.506 2.258 20 0 DEADHO C[C@@H](C[NH2+]CCCC1CCCC1)N(C)C(=O)Cc1c[nH]cn1 ZINC001496173177 1065321052 /nfs/dbraw/zinc/32/10/52/1065321052.db2.gz ZVGQFYVHSYVQAR-AWEZNQCLSA-N 1 3 306.454 2.359 20 0 DEADHO CC(C)C[C@H](C[NH2+]CC1CCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001496290541 1065388609 /nfs/dbraw/zinc/38/86/09/1065388609.db2.gz XPTPIULZNAIKEL-DOTOQJQBSA-N 1 3 309.498 2.249 20 0 DEADHO CC(C)(C)CC[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001569684495 1065669821 /nfs/dbraw/zinc/66/98/21/1065669821.db2.gz DIOWAZFKQLYLIJ-KRWDZBQOSA-N 1 3 306.454 2.217 20 0 DEADHO CC(C)[C@@H](C[NH3+])CN[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC001575428647 1066299115 /nfs/dbraw/zinc/29/91/15/1066299115.db2.gz JBGATEHVPWUQLJ-QWHCGFSZSA-N 1 3 323.403 2.140 20 0 DEADHO CC(C)[C@@H](CN)C[NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC001575428647 1066299133 /nfs/dbraw/zinc/29/91/33/1066299133.db2.gz JBGATEHVPWUQLJ-QWHCGFSZSA-N 1 3 323.403 2.140 20 0 DEADHO CC[C@@H](F)CNC[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001498062228 1066484958 /nfs/dbraw/zinc/48/49/58/1066484958.db2.gz CSZHNDCVBIJFHK-UONOGXRCSA-N 1 3 315.477 2.482 20 0 DEADHO CC[C@@H](F)CNC[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001498062228 1066484973 /nfs/dbraw/zinc/48/49/73/1066484973.db2.gz CSZHNDCVBIJFHK-UONOGXRCSA-N 1 3 315.477 2.482 20 0 DEADHO C[C@@H]([NH3+])[C@H]1CCCN(CCC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001576117430 1066496883 /nfs/dbraw/zinc/49/68/83/1066496883.db2.gz OKTRZLWXDNUTDD-HIFRSBDPSA-N 1 3 311.470 2.303 20 0 DEADHO CCc1ccc(C[NH2+]C[C@H](C)NC(=O)CN2CC[C@H](C)C2)cc1 ZINC001498119106 1066514766 /nfs/dbraw/zinc/51/47/66/1066514766.db2.gz ZZXLKOBGQQQYOJ-HOTGVXAUSA-N 1 3 317.477 2.185 20 0 DEADHO C[C@@H](C[NH2+]CCCC1CCCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001498119076 1066515137 /nfs/dbraw/zinc/51/51/37/1066515137.db2.gz ZAIPAQXSAJYQRF-CVEARBPZSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@@H](NC(=O)[C@H]1CC[C@@H]([NH3+])CC1)[C@@H](c1ccccc1)N(C)C ZINC001576220717 1066524728 /nfs/dbraw/zinc/52/47/28/1066524728.db2.gz NLSAXYYUSGAXBS-SIXLDLHFSA-N 1 3 303.450 2.312 20 0 DEADHO CC1(C)CCC[C@](O)(C[NH2+][C@H]2C[C@H](N)C23CCOCC3)CC1 ZINC001576427681 1066603316 /nfs/dbraw/zinc/60/33/16/1066603316.db2.gz ZUVFCBIQDLMYKX-YQQAZPJKSA-N 1 3 310.482 2.194 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CNCCO2)CCN1Cc1ccccc1 ZINC001576622391 1066646353 /nfs/dbraw/zinc/64/63/53/1066646353.db2.gz DBCLNAPMHKIVKX-NZSAHSFTSA-N 1 3 317.477 2.008 20 0 DEADHO C[C@H]1CN(C(=O)c2ccc(CC[NH3+])cc2)CCN1C1CCCC1 ZINC001576792037 1066690729 /nfs/dbraw/zinc/69/07/29/1066690729.db2.gz VIEFOYQEGCRFLT-HNNXBMFYSA-N 1 3 315.461 2.277 20 0 DEADHO CCCn1cc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c(C)n1 ZINC001577622325 1066887551 /nfs/dbraw/zinc/88/75/51/1066887551.db2.gz LPVFLRZAIVVVGB-MSOLQXFVSA-N 1 3 320.481 2.320 20 0 DEADHO CCC/C=C\CCN1CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001498978659 1066997751 /nfs/dbraw/zinc/99/77/51/1066997751.db2.gz IDDQXLRKCIVKOP-KKSLTYSGSA-N 1 3 319.493 2.265 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC001578410023 1067089236 /nfs/dbraw/zinc/08/92/36/1067089236.db2.gz BTNNCJAJODMEAA-NUJGCVRESA-N 1 3 315.461 2.110 20 0 DEADHO CN(C(=O)[C@@H]1CCCCC12CC[NH2+]CC2)[C@@H]1CCCN(C)C1 ZINC001578528445 1067125393 /nfs/dbraw/zinc/12/53/93/1067125393.db2.gz GLNOKUWUDUKKTC-CVEARBPZSA-N 1 3 307.482 2.099 20 0 DEADHO C[NH2+]C1CC(C(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC001578593260 1067136901 /nfs/dbraw/zinc/13/69/01/1067136901.db2.gz FSYYFTWMAFEWSF-PESDSKBTSA-N 1 3 309.841 2.057 20 0 DEADHO COCCOc1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)o1 ZINC001579064661 1067228465 /nfs/dbraw/zinc/22/84/65/1067228465.db2.gz WPBGMOKVLHBYRR-MRXNPFEDSA-N 1 3 308.422 2.269 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)C1)N(C)C ZINC001267012423 1078499525 /nfs/dbraw/zinc/49/95/25/1078499525.db2.gz MNLJNKASBVEPII-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CSc1ccc([C@@H](CNC(=O)C[C@H]2CC[NH2+]C2)N(C)C)cc1 ZINC001579387590 1067322844 /nfs/dbraw/zinc/32/28/44/1067322844.db2.gz IAOIADOJMYHVPE-CZUORRHYSA-N 1 3 321.490 2.127 20 0 DEADHO C[C@H]1[NH2+]CCC[C@H]1N[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001579499434 1067355147 /nfs/dbraw/zinc/35/51/47/1067355147.db2.gz QAPMSQBXGJCNQE-LXTVHRRPSA-N 1 3 311.470 2.410 20 0 DEADHO Cc1c(C[C@@H](CN)C[NH2+]C[C@H]2CCCCC2(F)F)cnn1C ZINC001579530840 1067363195 /nfs/dbraw/zinc/36/31/95/1067363195.db2.gz YYZUQXFHVWQUFT-DZGCQCFKSA-N 1 3 314.424 2.261 20 0 DEADHO Cc1c(C[C@@H](C[NH3+])CNC[C@H]2CCCCC2(F)F)cnn1C ZINC001579530840 1067363202 /nfs/dbraw/zinc/36/32/02/1067363202.db2.gz YYZUQXFHVWQUFT-DZGCQCFKSA-N 1 3 314.424 2.261 20 0 DEADHO Cn1c(C(=O)NCCN2CCCCC2)ccc1[C@H]1CCCC[NH2+]1 ZINC001579944460 1067459636 /nfs/dbraw/zinc/45/96/36/1067459636.db2.gz MDZMAKJOKHWEIR-OAHLLOKOSA-N 1 3 318.465 2.055 20 0 DEADHO FC(F)Cn1cc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)cn1 ZINC001580024092 1067474145 /nfs/dbraw/zinc/47/41/45/1067474145.db2.gz PKVGYFMVFTXYPQ-HNNXBMFYSA-N 1 3 312.408 2.360 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CC2CC2)CCC1 ZINC001483438434 1078534339 /nfs/dbraw/zinc/53/43/39/1078534339.db2.gz SXBBKYHPCUNFBM-HOTGVXAUSA-N 1 3 307.482 2.145 20 0 DEADHO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1cnn(CC3CCC3)c1)CC2 ZINC001580257430 1067544011 /nfs/dbraw/zinc/54/40/11/1067544011.db2.gz NMBRCMROTAEDAV-KRWDZBQOSA-N 1 3 318.465 2.013 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@@H]2C(CNC(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC001570932276 1068162566 /nfs/dbraw/zinc/16/25/66/1068162566.db2.gz RQDJBSWINSKXQD-SCVQTEPHSA-N 1 3 319.493 2.121 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@@H]2C(CNC(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC001570932276 1068162568 /nfs/dbraw/zinc/16/25/68/1068162568.db2.gz RQDJBSWINSKXQD-SCVQTEPHSA-N 1 3 319.493 2.121 20 0 DEADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C2(N(C)C)CCCC2)C1 ZINC001540935339 1072434035 /nfs/dbraw/zinc/43/40/35/1072434035.db2.gz WPQZHNAQRNVYQP-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)=CC[NH2+]C1(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001483735612 1078930990 /nfs/dbraw/zinc/93/09/90/1078930990.db2.gz TXNNNSHIXPSOOO-UHFFFAOYSA-N 1 3 307.482 2.456 20 0 DEADHO CCN1CCC[C@H](C[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)C1 ZINC001645611791 1078935801 /nfs/dbraw/zinc/93/58/01/1078935801.db2.gz QKULANKCTPINPL-LSDHHAIUSA-N 1 3 314.437 2.045 20 0 DEADHO CC[N@@H+]1CCC[C@H](CN[C@@H](C)c2ccc(-n3cnnn3)cc2)C1 ZINC001645611791 1078935804 /nfs/dbraw/zinc/93/58/04/1078935804.db2.gz QKULANKCTPINPL-LSDHHAIUSA-N 1 3 314.437 2.045 20 0 DEADHO CC[N@H+]1CCC[C@H](CN[C@@H](C)c2ccc(-n3cnnn3)cc2)C1 ZINC001645611791 1078935807 /nfs/dbraw/zinc/93/58/07/1078935807.db2.gz QKULANKCTPINPL-LSDHHAIUSA-N 1 3 314.437 2.045 20 0 DEADHO CC(C)[N@@H+](C/C=C/Cl)CCCNC(=O)CN1CC[C@H](C)C1 ZINC001267509253 1078939514 /nfs/dbraw/zinc/93/95/14/1078939514.db2.gz OUINCMAYZFERIO-SZTZYQKNSA-N 1 3 315.889 2.297 20 0 DEADHO CC(C)[N@H+](C/C=C/Cl)CCCNC(=O)CN1CC[C@H](C)C1 ZINC001267509253 1078939516 /nfs/dbraw/zinc/93/95/16/1078939516.db2.gz OUINCMAYZFERIO-SZTZYQKNSA-N 1 3 315.889 2.297 20 0 DEADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCC1(NCc2ccccc2)CC1 ZINC001483742787 1078979002 /nfs/dbraw/zinc/97/90/02/1078979002.db2.gz MMVORQDALZYGOC-KRWDZBQOSA-N 1 3 315.461 2.299 20 0 DEADHO C[N@H+]1CCC[C@H]1CCC(=O)NCC1(NCc2ccccc2)CC1 ZINC001483742787 1078979007 /nfs/dbraw/zinc/97/90/07/1078979007.db2.gz MMVORQDALZYGOC-KRWDZBQOSA-N 1 3 315.461 2.299 20 0 DEADHO c1cc([C@@H]2OCCC[C@@H]2CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n[nH]1 ZINC001548942979 1072953640 /nfs/dbraw/zinc/95/36/40/1072953640.db2.gz DZJNZLVERBININ-KCYZZUKISA-N 1 3 304.438 2.094 20 0 DEADHO c1cc([C@@H]2OCCC[C@@H]2CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)n[nH]1 ZINC001548942979 1072953644 /nfs/dbraw/zinc/95/36/44/1072953644.db2.gz DZJNZLVERBININ-KCYZZUKISA-N 1 3 304.438 2.094 20 0 DEADHO C[C@H](N[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC001549337587 1073129616 /nfs/dbraw/zinc/12/96/16/1073129616.db2.gz FKKSCEFAWGGLNY-HPBDAGMYSA-N 1 3 315.461 2.315 20 0 DEADHO CCn1cc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CCC[C@H]2CN)cn1 ZINC001549338089 1073130677 /nfs/dbraw/zinc/13/06/77/1073130677.db2.gz FGJPZBPDJFUBJI-XOSAIJSUSA-N 1 3 306.454 2.088 20 0 DEADHO CCN(CCNC(=O)C1CC[NH+](C)CC1)Cc1ccc(F)cc1 ZINC001480997472 1079043496 /nfs/dbraw/zinc/04/34/96/1079043496.db2.gz FFYFRXWGKHYUQV-UHFFFAOYSA-N 1 3 321.440 2.106 20 0 DEADHO c1n[nH]cc1[C@@H]1OCCC[C@@H]1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001549549872 1073190027 /nfs/dbraw/zinc/19/00/27/1073190027.db2.gz RIKIDLZJQZVBGU-BSWAZPDLSA-N 1 3 304.438 2.094 20 0 DEADHO c1n[nH]cc1[C@@H]1OCCC[C@@H]1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001549549872 1073190029 /nfs/dbraw/zinc/19/00/29/1073190029.db2.gz RIKIDLZJQZVBGU-BSWAZPDLSA-N 1 3 304.438 2.094 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CCC2)C1 ZINC001272652171 1079048994 /nfs/dbraw/zinc/04/89/94/1079048994.db2.gz JUKAUALKUHPGSG-ROUUACIJSA-N 1 3 321.509 2.489 20 0 DEADHO [NH3+][C@@H]1CCCCC[C@H]1C(=O)Nc1ccc2c(c1)OCCNC2 ZINC001549902387 1073325731 /nfs/dbraw/zinc/32/57/31/1073325731.db2.gz CEWLPOVVGFPZFT-HUUCEWRRSA-N 1 3 303.406 2.015 20 0 DEADHO CCn1ccnc1[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC001550129759 1073445537 /nfs/dbraw/zinc/44/55/37/1073445537.db2.gz WPXGSCDLQRSJTE-WCXIOVBPSA-N 1 3 318.465 2.007 20 0 DEADHO CCn1ccnc1[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC001550129759 1073445546 /nfs/dbraw/zinc/44/55/46/1073445546.db2.gz WPXGSCDLQRSJTE-WCXIOVBPSA-N 1 3 318.465 2.007 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC1([NH2+]CC[C@H](C)F)CC1 ZINC001483772570 1079102655 /nfs/dbraw/zinc/10/26/55/1079102655.db2.gz ALKPLSXOADOLJA-GJZGRUSLSA-N 1 3 313.461 2.236 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](N[C@@H](C)c1cncs1)[C@@H](O)C2 ZINC001550351980 1073610082 /nfs/dbraw/zinc/61/00/82/1073610082.db2.gz LPRLWVZLRBPQGW-AKIOZOGOSA-N 1 3 309.479 2.273 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](N[C@@H](C)c1cncs1)[C@@H](O)C2 ZINC001550351980 1073610083 /nfs/dbraw/zinc/61/00/83/1073610083.db2.gz LPRLWVZLRBPQGW-AKIOZOGOSA-N 1 3 309.479 2.273 20 0 DEADHO CCC(CC)CN1CC(N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001483893232 1079179487 /nfs/dbraw/zinc/17/94/87/1079179487.db2.gz MORZCXRXWZKGIS-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO O=C1CC[C@H](NCc2ccccc2Cl)[C@@H](C2CC[NH2+]CC2)N1 ZINC001550913917 1073952746 /nfs/dbraw/zinc/95/27/46/1073952746.db2.gz RFWYMYADKKPULJ-DOTOQJQBSA-N 1 3 321.852 2.076 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CC[N@H+](CCCC3CCC3)C2)C1 ZINC001481110979 1079195575 /nfs/dbraw/zinc/19/55/75/1079195575.db2.gz DXVKNRIHLKIRGZ-AEFFLSMTSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001481110979 1079195579 /nfs/dbraw/zinc/19/55/79/1079195579.db2.gz DXVKNRIHLKIRGZ-AEFFLSMTSA-N 1 3 321.509 2.347 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CCN1C[C@@H](O)[C@@H](Cc2ccccc2)C1 ZINC001551014234 1074011324 /nfs/dbraw/zinc/01/13/24/1074011324.db2.gz LDPMYWISVCIVDU-IPMKNSEASA-N 1 3 302.462 2.396 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CCN1C[C@@H](O)[C@@H](Cc2ccccc2)C1 ZINC001551014234 1074011334 /nfs/dbraw/zinc/01/13/34/1074011334.db2.gz LDPMYWISVCIVDU-IPMKNSEASA-N 1 3 302.462 2.396 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+]Cc2ccc(F)nc2)CC1 ZINC001551238416 1074127462 /nfs/dbraw/zinc/12/74/62/1074127462.db2.gz RSWRAFPOSLMDNS-UHFFFAOYSA-N 1 3 307.413 2.344 20 0 DEADHO C[C@H]1C[C@H]([NH2+]C2CCC(C)(N3CCOCC3)CC2)CN1C1CC1 ZINC001551393512 1074202669 /nfs/dbraw/zinc/20/26/69/1074202669.db2.gz ZLEIRDAALAQOBP-WPZCVXBKSA-N 1 3 321.509 2.235 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001369276570 1148888691 /nfs/dbraw/zinc/88/86/91/1148888691.db2.gz CNMIUZQWLTUVRK-GJZGRUSLSA-N 1 3 314.433 2.458 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)[C@@H]2CCCC[NH2+]C2)N(C)C)cc1 ZINC001552413828 1074572141 /nfs/dbraw/zinc/57/21/41/1074572141.db2.gz SVDJPXWNXZOUBU-QZTJIDSGSA-N 1 3 317.477 2.358 20 0 DEADHO CN(C)C[C@H](NC(=O)[C@@H]1CCCC[NH2+]C1)c1ccc(Cl)cc1 ZINC001552427718 1074574804 /nfs/dbraw/zinc/57/48/04/1074574804.db2.gz RHASPTDFROVALZ-ZBFHGGJFSA-N 1 3 323.868 2.449 20 0 DEADHO O=C(C[C@H]1NCc2ccccc21)N1CCCC2(CC[NH2+]CC2)C1 ZINC001552426380 1074575692 /nfs/dbraw/zinc/57/56/92/1074575692.db2.gz XPSZHKNITULMHG-QGZVFWFLSA-N 1 3 313.445 2.213 20 0 DEADHO C[C@@H]1CCCN(C(=O)c2cc3c(s2)CCNC3)[C@H]1CCC[NH3+] ZINC001552441028 1074576270 /nfs/dbraw/zinc/57/62/70/1074576270.db2.gz TXLZDDUHILTWHI-OCCSQVGLSA-N 1 3 321.490 2.373 20 0 DEADHO CN(C)[C@@H]1CCC[N@H+](C[C@@H]2CCCO[C@@H]2c2nccn2C)CC1 ZINC001552529736 1074600663 /nfs/dbraw/zinc/60/06/63/1074600663.db2.gz HLAMFKFZTSFLSP-BBWFWOEESA-N 1 3 320.481 2.304 20 0 DEADHO CN(C)[C@@H]1CCC[N@@H+](C[C@@H]2CCCO[C@@H]2c2nccn2C)CC1 ZINC001552529736 1074600665 /nfs/dbraw/zinc/60/06/65/1074600665.db2.gz HLAMFKFZTSFLSP-BBWFWOEESA-N 1 3 320.481 2.304 20 0 DEADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H]2CCCO[C@H]2c2nccn2C)C1 ZINC001552530738 1074601702 /nfs/dbraw/zinc/60/17/02/1074601702.db2.gz ZKTFZLRRNSFDOP-GVDBMIGSSA-N 1 3 320.481 2.161 20 0 DEADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCCO[C@H]2c2nccn2C)C1 ZINC001552530738 1074601705 /nfs/dbraw/zinc/60/17/05/1074601705.db2.gz ZKTFZLRRNSFDOP-GVDBMIGSSA-N 1 3 320.481 2.161 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C[C@H]2CCCO[C@H]2c2nccn2C)C1 ZINC001552530738 1074601710 /nfs/dbraw/zinc/60/17/10/1074601710.db2.gz ZKTFZLRRNSFDOP-GVDBMIGSSA-N 1 3 320.481 2.161 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@H]2CCCO[C@H]2c2nccn2C)C1 ZINC001552530738 1074601715 /nfs/dbraw/zinc/60/17/15/1074601715.db2.gz ZKTFZLRRNSFDOP-GVDBMIGSSA-N 1 3 320.481 2.161 20 0 DEADHO O=C(C[C@H]1NCc2ccccc21)NC[C@H]1C[NH2+]Cc2ccccc21 ZINC001552584755 1074613849 /nfs/dbraw/zinc/61/38/49/1074613849.db2.gz QDPXTQOFLWVUDF-VQIMIIECSA-N 1 3 321.424 2.224 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cc2c[nH]cn2)c1 ZINC001369278661 1148889536 /nfs/dbraw/zinc/88/95/36/1148889536.db2.gz KFYXZRKRIJHZOM-LSDHHAIUSA-N 1 3 314.433 2.458 20 0 DEADHO CC(C)(C(=O)N1CC[C@@](C)(C[NH2+]CCF)C1)N1CCCCC1 ZINC001484095391 1079301224 /nfs/dbraw/zinc/30/12/24/1079301224.db2.gz VVRIXCOBNCUOMC-KRWDZBQOSA-N 1 3 313.461 2.049 20 0 DEADHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001369280866 1148890221 /nfs/dbraw/zinc/89/02/21/1148890221.db2.gz BECICIMGLYXJSD-WMLDXEAASA-N 1 3 323.456 2.411 20 0 DEADHO Fc1ccc(O[C@@H]2CCN(C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)cc1 ZINC001553304666 1074834667 /nfs/dbraw/zinc/83/46/67/1074834667.db2.gz JKLNTSFIEXXGKU-KZNAEPCWSA-N 1 3 320.408 2.047 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001566519955 1075268265 /nfs/dbraw/zinc/26/82/65/1075268265.db2.gz MDTBQWCGJRIQKJ-GOSISDBHSA-N 1 3 317.477 2.452 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001566519955 1075268267 /nfs/dbraw/zinc/26/82/67/1075268267.db2.gz MDTBQWCGJRIQKJ-GOSISDBHSA-N 1 3 317.477 2.452 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CCCF)C1CC1 ZINC001566722833 1075327230 /nfs/dbraw/zinc/32/72/30/1075327230.db2.gz QBKAHSULXNALKT-HOTGVXAUSA-N 1 3 313.461 2.093 20 0 DEADHO C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H](NCC=C(Cl)Cl)C1 ZINC001566858590 1075363701 /nfs/dbraw/zinc/36/37/01/1075363701.db2.gz FKDKZIVBOCVTLA-TXEJJXNPSA-N 1 3 322.280 2.274 20 0 DEADHO CCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@H]1C ZINC001566978096 1075406511 /nfs/dbraw/zinc/40/65/11/1075406511.db2.gz KZLZXZVKHHOUMS-JLOCXQCDSA-N 1 3 307.482 2.096 20 0 DEADHO CCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@H]1C ZINC001566978096 1075406516 /nfs/dbraw/zinc/40/65/16/1075406516.db2.gz KZLZXZVKHHOUMS-JLOCXQCDSA-N 1 3 307.482 2.096 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)N1CC[C@H](CC[NH3+])C1)c1ccco1 ZINC001650170551 1079434828 /nfs/dbraw/zinc/43/48/28/1079434828.db2.gz PTOGPJIBXUAXES-KKUMJFAQSA-N 1 3 322.453 2.089 20 0 DEADHO O=C1O[C@H](CNC(c2ccccc2)c2ccccc2)CC12C[NH2+]C2 ZINC001580859324 1076009030 /nfs/dbraw/zinc/00/90/30/1076009030.db2.gz ZYLYMOGHBYZAMD-KRWDZBQOSA-N 1 3 322.408 2.271 20 0 DEADHO CCCCC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001484370176 1079567360 /nfs/dbraw/zinc/56/73/60/1079567360.db2.gz ZCIRGZYKURORCG-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2)N1CCCCC1 ZINC001650396570 1079587927 /nfs/dbraw/zinc/58/79/27/1079587927.db2.gz CIDGCMCEBOMMDA-SOLBZPMBSA-N 1 3 307.482 2.145 20 0 DEADHO O=C(CN1CCCC1)N1CC[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001484548984 1079655688 /nfs/dbraw/zinc/65/56/88/1079655688.db2.gz FWZVIDWHYFBFRF-KRWDZBQOSA-N 1 3 307.482 2.101 20 0 DEADHO CC[C@@H](F)CN1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001484723120 1079747870 /nfs/dbraw/zinc/74/78/70/1079747870.db2.gz LWFGVRRDIUBFEP-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO C[NH+](C)CC1(C(=O)N[C@H]2CCCN(C/C=C/Cl)CC2)CC1 ZINC001484722158 1079757774 /nfs/dbraw/zinc/75/77/74/1079757774.db2.gz FMYKKUWEPUZSNA-MDDUGHTDSA-N 1 3 313.873 2.051 20 0 DEADHO CC(C)C[NH2+]CC[C@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001496410131 1079877955 /nfs/dbraw/zinc/87/79/55/1079877955.db2.gz BPZJNAPSMGRBDZ-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H](C)[NH2+]Cc1ccccc1 ZINC001485157069 1080028460 /nfs/dbraw/zinc/02/84/60/1080028460.db2.gz QWVJCIAAEAQVJP-HUUCEWRRSA-N 1 3 303.450 2.154 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCc1ccccc1F)N(C)C ZINC001268096176 1080068759 /nfs/dbraw/zinc/06/87/59/1080068759.db2.gz ZHVVAOOTFLMUMR-PBHICJAKSA-N 1 3 323.456 2.145 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1CC[NH2+]CC1CCC1 ZINC001268165255 1080146458 /nfs/dbraw/zinc/14/64/58/1080146458.db2.gz DGUUSFJKLZBYRE-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO C[NH+](C)CC1(C(=O)N[C@H]2CCCN(CC3=CCCCC3)C2)CC1 ZINC001268215095 1080200286 /nfs/dbraw/zinc/20/02/86/1080200286.db2.gz AIFBHFRQSSQNIK-KRWDZBQOSA-N 1 3 319.493 2.409 20 0 DEADHO CN(CC[N@H+](C)CCCCC(F)(F)F)C(=O)[C@@H]1CCCN1C ZINC001268233996 1080215489 /nfs/dbraw/zinc/21/54/89/1080215489.db2.gz ZDLHJEZTBUFDBG-ZDUSSCGKSA-N 1 3 323.403 2.203 20 0 DEADHO CN(CC[N@@H+](C)CCCCC(F)(F)F)C(=O)[C@@H]1CCCN1C ZINC001268233996 1080215498 /nfs/dbraw/zinc/21/54/98/1080215498.db2.gz ZDLHJEZTBUFDBG-ZDUSSCGKSA-N 1 3 323.403 2.203 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2[C@H](CC[N@H+]2CCCCCF)C1 ZINC001268269340 1080250538 /nfs/dbraw/zinc/25/05/38/1080250538.db2.gz UEVWBFVKXXTTSI-GDBMZVCRSA-N 1 3 322.428 2.015 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2[C@H](CC[N@@H+]2CCCCCF)C1 ZINC001268269340 1080250547 /nfs/dbraw/zinc/25/05/47/1080250547.db2.gz UEVWBFVKXXTTSI-GDBMZVCRSA-N 1 3 322.428 2.015 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]C/C=C\Cl)CCC1 ZINC001268278238 1080257902 /nfs/dbraw/zinc/25/79/02/1080257902.db2.gz NEZMVQQMLUZEPG-BCSJQMDCSA-N 1 3 313.873 2.098 20 0 DEADHO CCCCCC[NH+]1CC([C@H](C)NC(=O)CN2CC[C@H](C)C2)C1 ZINC001485525368 1080282402 /nfs/dbraw/zinc/28/24/02/1080282402.db2.gz FQWJOLAEPLVYCB-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1cccc(C[N@@H+](C)CCCNC(=O)CN2CC[C@H](C)C2)c1 ZINC001660304081 1080305713 /nfs/dbraw/zinc/30/57/13/1080305713.db2.gz PNOZQXGHJFJXKT-KRWDZBQOSA-N 1 3 317.477 2.275 20 0 DEADHO Cc1cccc(C[N@H+](C)CCCNC(=O)CN2CC[C@H](C)C2)c1 ZINC001660304081 1080305718 /nfs/dbraw/zinc/30/57/18/1080305718.db2.gz PNOZQXGHJFJXKT-KRWDZBQOSA-N 1 3 317.477 2.275 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[N@H+](C)CC1CC2(CCC2)C1 ZINC001660408424 1080327495 /nfs/dbraw/zinc/32/74/95/1080327495.db2.gz GZHWDVFFSORNDI-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[N@@H+](C)CC1CC2(CCC2)C1 ZINC001660408424 1080327500 /nfs/dbraw/zinc/32/75/00/1080327500.db2.gz GZHWDVFFSORNDI-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CC[N@H+](CCCNC(=O)[C@H]1CCCN1C)Cc1ccsc1 ZINC001660501993 1080346369 /nfs/dbraw/zinc/34/63/69/1080346369.db2.gz LOXSLBBWVQUOBH-OAHLLOKOSA-N 1 3 309.479 2.171 20 0 DEADHO CC[N@@H+](CCCNC(=O)[C@H]1CCCN1C)Cc1ccsc1 ZINC001660501993 1080346373 /nfs/dbraw/zinc/34/63/73/1080346373.db2.gz LOXSLBBWVQUOBH-OAHLLOKOSA-N 1 3 309.479 2.171 20 0 DEADHO C[C@@H](F)CC[NH2+]CC[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001268364061 1080376256 /nfs/dbraw/zinc/37/62/56/1080376256.db2.gz APSIQVNOUIVPAZ-CABCVRRESA-N 1 3 315.477 2.483 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CC12CC[NH+](CC=C(C)C)CC2)N(C)C ZINC001661078886 1080439297 /nfs/dbraw/zinc/43/92/97/1080439297.db2.gz QUVFBJIVJUJXCS-HZPDHXFCSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)=CCN1CCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001661881170 1080539062 /nfs/dbraw/zinc/53/90/62/1080539062.db2.gz UWPDYBGGRAYGMQ-INIZCTEOSA-N 1 3 307.482 2.265 20 0 DEADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccc(F)cc1C ZINC001481881979 1080572817 /nfs/dbraw/zinc/57/28/17/1080572817.db2.gz NOBYWTCKMUYULZ-QGZVFWFLSA-N 1 3 323.456 2.459 20 0 DEADHO CCCCC[NH2+][C@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001662334206 1080598260 /nfs/dbraw/zinc/59/82/60/1080598260.db2.gz DCYAYUZBYZDXHH-PBHICJAKSA-N 1 3 315.477 2.483 20 0 DEADHO CC(C)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCCN1C(C)C)C1CC1 ZINC001481930702 1080619710 /nfs/dbraw/zinc/61/97/10/1080619710.db2.gz IKHKRKXMRPXJLW-FUHWJXTLSA-N 1 3 309.498 2.390 20 0 DEADHO CC(C)C[NH2+]CC[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001481983338 1080665941 /nfs/dbraw/zinc/66/59/41/1080665941.db2.gz IAAVDIICAUKBEA-SJORKVTESA-N 1 3 309.498 2.203 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H](CC[NH2+]CC3CCC3)C2)C1 ZINC001481983741 1080669690 /nfs/dbraw/zinc/66/96/90/1080669690.db2.gz KISNVIMYWGPEJK-WMZOPIPTSA-N 1 3 321.509 2.347 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](C)CC1=CCCCC1 ZINC001663339474 1080734562 /nfs/dbraw/zinc/73/45/62/1080734562.db2.gz LMJRJHXDDSRHRH-QGZVFWFLSA-N 1 3 307.482 2.409 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](C)CC1=CCCCC1 ZINC001663339474 1080734567 /nfs/dbraw/zinc/73/45/67/1080734567.db2.gz LMJRJHXDDSRHRH-QGZVFWFLSA-N 1 3 307.482 2.409 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\CNCc1ccsc1 ZINC001268547457 1080743105 /nfs/dbraw/zinc/74/31/05/1080743105.db2.gz HCKQMUIVCSRFMN-QGZUEGPWSA-N 1 3 321.490 2.385 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)NC/C=C\CNCc1ccsc1 ZINC001268547457 1080743111 /nfs/dbraw/zinc/74/31/11/1080743111.db2.gz HCKQMUIVCSRFMN-QGZUEGPWSA-N 1 3 321.490 2.385 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC2(CC[N@H+](CC3CC3)C2)CC1 ZINC001482070555 1080776540 /nfs/dbraw/zinc/77/65/40/1080776540.db2.gz HVPGLUKWAVCHHT-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC2(CC[N@@H+](CC3CC3)C2)CC1 ZINC001482070555 1080776546 /nfs/dbraw/zinc/77/65/46/1080776546.db2.gz HVPGLUKWAVCHHT-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+][C@@H]1CCc2ccccc21 ZINC001482173165 1080878060 /nfs/dbraw/zinc/87/80/60/1080878060.db2.gz GYSQROANXLGNML-MAUKXSAKSA-N 1 3 317.477 2.356 20 0 DEADHO CC[C@@H](C(=O)NC/C=C/C[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001268616348 1080891902 /nfs/dbraw/zinc/89/19/02/1080891902.db2.gz HXGRDWDOAIXTED-JFDDCEBESA-N 1 3 307.482 2.169 20 0 DEADHO CC(C)[C@H](C(=O)NC/C=C/C[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001268619116 1080895311 /nfs/dbraw/zinc/89/53/11/1080895311.db2.gz YJXHELQBNGWUGF-FUTAKVPZSA-N 1 3 321.509 2.415 20 0 DEADHO C[C@H](C[NH2+]C/C=C\Cl)N(C)C(=O)CN(C)CC(C)(C)C ZINC001666993184 1081200904 /nfs/dbraw/zinc/20/09/04/1081200904.db2.gz ZMUNVTGUSSZNBS-MEJMFZKBSA-N 1 3 303.878 2.153 20 0 DEADHO CC(C)=CC[NH2+]CC[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001667291379 1081234493 /nfs/dbraw/zinc/23/44/93/1081234493.db2.gz WWHBOKAYLLHSRA-MRXNPFEDSA-N 1 3 304.438 2.279 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]C/C=C/Cl ZINC001668235146 1081331530 /nfs/dbraw/zinc/33/15/30/1081331530.db2.gz ZAPRBPGYKHNYBP-VOTDVEDPSA-N 1 3 315.889 2.486 20 0 DEADHO Cc1cccc(C[NH2+]C/C=C\CNC(=O)CN2CC[C@H](C)C2)c1 ZINC001669039032 1081421618 /nfs/dbraw/zinc/42/16/18/1081421618.db2.gz IUESLPVUUSCESS-LIMHQNJXSA-N 1 3 315.461 2.099 20 0 DEADHO CC[N@H+](C)[C@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC001412830224 1081425957 /nfs/dbraw/zinc/42/59/57/1081425957.db2.gz XWGRMDLNCVDJHR-SFHVURJKSA-N 1 3 315.461 2.449 20 0 DEADHO CC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC001412830224 1081425958 /nfs/dbraw/zinc/42/59/58/1081425958.db2.gz XWGRMDLNCVDJHR-SFHVURJKSA-N 1 3 315.461 2.449 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+]C/C=C/CNC(=O)CN1CCCC1 ZINC001669188324 1081435915 /nfs/dbraw/zinc/43/59/15/1081435915.db2.gz DUVPHNFSMVNQBS-RTRPANQVSA-N 1 3 315.461 2.414 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCc1ccccc1 ZINC001669307547 1081445046 /nfs/dbraw/zinc/44/50/46/1081445046.db2.gz DZGWEOBECXUULL-SJLPKXTDSA-N 1 3 317.477 2.198 20 0 DEADHO C[C@@H](C[NH2+]CCCCC(F)(F)F)NC(=O)C1(N(C)C)CCC1 ZINC001669577200 1081458262 /nfs/dbraw/zinc/45/82/62/1081458262.db2.gz VGQXDQVVHDOBLK-LBPRGKRZSA-N 1 3 323.403 2.298 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCCCCF)C1 ZINC001672761499 1081624005 /nfs/dbraw/zinc/62/40/05/1081624005.db2.gz KMLAACQNGXPAST-JKSUJKDBSA-N 1 3 313.461 2.049 20 0 DEADHO CCCCC[NH2+]CC[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001672863700 1081713964 /nfs/dbraw/zinc/71/39/64/1081713964.db2.gz RIVKRKFQGNVANO-DLBZAZTESA-N 1 3 309.498 2.347 20 0 DEADHO O=C(CN1CCCC1)N1CC[C@@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001672911421 1081720440 /nfs/dbraw/zinc/72/04/40/1081720440.db2.gz VBWHBCITHHPQIG-GOSISDBHSA-N 1 3 319.493 2.411 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CN2CCCC2)cc1 ZINC001482364746 1081763595 /nfs/dbraw/zinc/76/35/95/1081763595.db2.gz PIIZGNLDVPXLBV-MRXNPFEDSA-N 1 3 303.450 2.027 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCCCCF)[C@@H](C)C1 ZINC001482439370 1081830031 /nfs/dbraw/zinc/83/00/31/1081830031.db2.gz PBURHGHRJIUILU-HOTGVXAUSA-N 1 3 315.477 2.293 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CCCCCF ZINC001674474586 1081877114 /nfs/dbraw/zinc/87/71/14/1081877114.db2.gz CWESLSAKKZRHLB-HZPDHXFCSA-N 1 3 313.461 2.143 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CCCCCF ZINC001674474586 1081877117 /nfs/dbraw/zinc/87/71/17/1081877117.db2.gz CWESLSAKKZRHLB-HZPDHXFCSA-N 1 3 313.461 2.143 20 0 DEADHO CC(C)C[C@@H]([NH3+])CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001648962377 1081949854 /nfs/dbraw/zinc/94/98/54/1081949854.db2.gz RACWNTBXYZDBOJ-IAGOWNOFSA-N 1 3 303.450 2.141 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCc1cccs1)N(C)C ZINC001271170160 1081972493 /nfs/dbraw/zinc/97/24/93/1081972493.db2.gz HOHFFSJXKTWXCR-ZFWWWQNUSA-N 1 3 311.495 2.067 20 0 DEADHO CCCOCC[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397498756 1082078492 /nfs/dbraw/zinc/07/84/92/1082078492.db2.gz TXWNLIXUSNUPAZ-UHFFFAOYSA-N 1 3 306.450 2.030 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(CCC[N@H+](C)C2)CC1 ZINC001271931743 1082197346 /nfs/dbraw/zinc/19/73/46/1082197346.db2.gz QFEPLRIINZSTQD-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001271931743 1082197350 /nfs/dbraw/zinc/19/73/50/1082197350.db2.gz QFEPLRIINZSTQD-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001266826149 1082373382 /nfs/dbraw/zinc/37/33/82/1082373382.db2.gz OBSYBDDHTUAZLV-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC=C(C)C)C1 ZINC001482666222 1082446155 /nfs/dbraw/zinc/44/61/55/1082446155.db2.gz NWXQKFMRTXUSMA-SJORKVTESA-N 1 3 307.482 2.217 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC=C(C)C)C1 ZINC001482666222 1082446158 /nfs/dbraw/zinc/44/61/58/1082446158.db2.gz NWXQKFMRTXUSMA-SJORKVTESA-N 1 3 307.482 2.217 20 0 DEADHO C[C@H](CC[NH2+]CCCF)NC(=O)C(C)(C)N1CCCCC1 ZINC001482831611 1082523763 /nfs/dbraw/zinc/52/37/63/1082523763.db2.gz AEZGFJYMBAGCGX-CQSZACIVSA-N 1 3 301.450 2.095 20 0 DEADHO Cc1ccccc1C[NH2+]CC[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001482838498 1082526282 /nfs/dbraw/zinc/52/62/82/1082526282.db2.gz CIZZEZKVGPPKDK-INIZCTEOSA-N 1 3 317.477 2.464 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CCCF ZINC001482875883 1082540424 /nfs/dbraw/zinc/54/04/24/1082540424.db2.gz CFCJBLMAVAZUQO-LSDHHAIUSA-N 1 3 301.450 2.093 20 0 DEADHO CCN(CC[NH2+]CC1CC2(CCC2)C1)C(=O)CN(C)C1CCC1 ZINC001482932154 1082561367 /nfs/dbraw/zinc/56/13/67/1082561367.db2.gz VDQMAMSTCAPGTE-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CCC(F)(F)F ZINC001483099174 1082707754 /nfs/dbraw/zinc/70/77/54/1082707754.db2.gz WKLUSQNCWPBVEJ-IHVVCDCBSA-N 1 3 321.387 2.075 20 0 DEADHO C[C@H](CNC/C=C/Cl)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001483152830 1082779252 /nfs/dbraw/zinc/77/92/52/1082779252.db2.gz DCNYEMYHHSCXEU-OAUONFCTSA-N 1 3 315.889 2.488 20 0 DEADHO C[C@H](CNC/C=C/Cl)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001483152830 1082779254 /nfs/dbraw/zinc/77/92/54/1082779254.db2.gz DCNYEMYHHSCXEU-OAUONFCTSA-N 1 3 315.889 2.488 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001483198773 1082803527 /nfs/dbraw/zinc/80/35/27/1082803527.db2.gz ZHDGMBBFYWDIAE-CZUORRHYSA-N 1 3 309.429 2.204 20 0 DEADHO C[C@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[N@H+](C)CC1CC1 ZINC001409616587 1082987777 /nfs/dbraw/zinc/98/77/77/1082987777.db2.gz KOEGMBYNLOXOCM-CXAGYDPISA-N 1 3 313.461 2.045 20 0 DEADHO C[C@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[N@@H+](C)CC1CC1 ZINC001409616587 1082987778 /nfs/dbraw/zinc/98/77/78/1082987778.db2.gz KOEGMBYNLOXOCM-CXAGYDPISA-N 1 3 313.461 2.045 20 0 DEADHO C[C@@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[N@H+](C)CC1CC1 ZINC001409616593 1082988241 /nfs/dbraw/zinc/98/82/41/1082988241.db2.gz KOEGMBYNLOXOCM-SUMWQHHRSA-N 1 3 313.461 2.045 20 0 DEADHO C[C@@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[N@@H+](C)CC1CC1 ZINC001409616593 1082988243 /nfs/dbraw/zinc/98/82/43/1082988243.db2.gz KOEGMBYNLOXOCM-SUMWQHHRSA-N 1 3 313.461 2.045 20 0 DEADHO COc1ccsc1CNC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001413116705 1083362778 /nfs/dbraw/zinc/36/27/78/1083362778.db2.gz HNRVJNVXZBHKGY-UHFFFAOYSA-N 1 3 323.506 2.405 20 0 DEADHO CC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCC3)CCC[C@@H]12 ZINC001107495914 1083434309 /nfs/dbraw/zinc/43/43/09/1083434309.db2.gz ZCHQKUCFJPXEAV-CRAIPNDOSA-N 1 3 307.482 2.242 20 0 DEADHO CC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCC3)CCC[C@@H]12 ZINC001107495914 1083434317 /nfs/dbraw/zinc/43/43/17/1083434317.db2.gz ZCHQKUCFJPXEAV-CRAIPNDOSA-N 1 3 307.482 2.242 20 0 DEADHO CCCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3nc[nH]c3C)CCC[C@@H]12 ZINC001107621555 1083530793 /nfs/dbraw/zinc/53/07/93/1083530793.db2.gz QUGXWJGXRYHLPD-SJLPKXTDSA-N 1 3 318.465 2.422 20 0 DEADHO CCCC[N@H+]1CC[C@@]2(CNC(=O)Cc3nc[nH]c3C)CCC[C@@H]12 ZINC001107621555 1083530802 /nfs/dbraw/zinc/53/08/02/1083530802.db2.gz QUGXWJGXRYHLPD-SJLPKXTDSA-N 1 3 318.465 2.422 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001413412679 1083569514 /nfs/dbraw/zinc/56/95/14/1083569514.db2.gz QUKBPNWTCBTRGP-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cccc(CC[NH+](C)C)c1 ZINC001413523340 1083653666 /nfs/dbraw/zinc/65/36/66/1083653666.db2.gz ZKLPIAABOAZRIE-ZWKOTPCHSA-N 1 3 315.461 2.099 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]CCc2ccccc2)C1 ZINC001277092958 1083771070 /nfs/dbraw/zinc/77/10/70/1083771070.db2.gz SUKWCOSLMQECHI-IYARVYRRSA-N 1 3 317.477 2.054 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(C)C1 ZINC001229237366 1083930425 /nfs/dbraw/zinc/93/04/25/1083930425.db2.gz CBYIDCBDOHLRFJ-BHUNQDJPSA-N 1 3 309.498 2.391 20 0 DEADHO CCCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001490981264 1083986145 /nfs/dbraw/zinc/98/61/45/1083986145.db2.gz HZZVKCCLBBAXCR-NVXWUHKLSA-N 1 3 318.465 2.455 20 0 DEADHO CCCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001490981264 1083986151 /nfs/dbraw/zinc/98/61/51/1083986151.db2.gz HZZVKCCLBBAXCR-NVXWUHKLSA-N 1 3 318.465 2.455 20 0 DEADHO CCCN(C)CC(=O)NC1CCC([NH2+]C[C@@H](F)CC)CC1 ZINC001491371011 1084262164 /nfs/dbraw/zinc/26/21/64/1084262164.db2.gz KFZZZXXZYHMDFO-NFOMZHRRSA-N 1 3 301.450 2.093 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1 ZINC001491473819 1084334469 /nfs/dbraw/zinc/33/44/69/1084334469.db2.gz MQPUTTBAJMQBKI-WBVHZDCISA-N 1 3 303.450 2.155 20 0 DEADHO CCOC(=O)c1ccc(CCCN2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001235192483 1084339319 /nfs/dbraw/zinc/33/93/19/1084339319.db2.gz BMKUIRCCNAPRLT-QZTJIDSGSA-N 1 3 316.445 2.337 20 0 DEADHO COC[C@@H]1CN(CCCC[NH3+])Cc2cn(CC3CCCC3)nc21 ZINC001235457882 1084437023 /nfs/dbraw/zinc/43/70/23/1084437023.db2.gz DTWRWQDOOYNQQF-KRWDZBQOSA-N 1 3 320.481 2.358 20 0 DEADHO CCOC(=O)[C@]12C[N@H+](Cc3cc(C)cs3)C[C@H]1CNCC2 ZINC001236039095 1084594828 /nfs/dbraw/zinc/59/48/28/1084594828.db2.gz QUEXASCBQKKRTP-CZUORRHYSA-N 1 3 308.447 2.031 20 0 DEADHO CCOC(=O)[C@]12C[N@@H+](Cc3cc(C)cs3)C[C@H]1CNCC2 ZINC001236039095 1084594835 /nfs/dbraw/zinc/59/48/35/1084594835.db2.gz QUEXASCBQKKRTP-CZUORRHYSA-N 1 3 308.447 2.031 20 0 DEADHO CCOC(=O)c1ccc(CCCN2CC[C@H](C[NH2+]C)C2)cc1 ZINC001236068244 1084601639 /nfs/dbraw/zinc/60/16/39/1084601639.db2.gz WSYPCRCEVPQZPB-MRXNPFEDSA-N 1 3 304.434 2.337 20 0 DEADHO CCCCOc1ccc(CN2CCC[C@@H](N3CC([NH3+])C3)C2)cc1 ZINC001236072288 1084602735 /nfs/dbraw/zinc/60/27/35/1084602735.db2.gz FZGDLXLSRUERKT-GOSISDBHSA-N 1 3 317.477 2.473 20 0 DEADHO C[C@H]1CN(Cc2ccc3n2CC[NH2+]C3)CCN1Cc1ccccc1 ZINC001236070932 1084603021 /nfs/dbraw/zinc/60/30/21/1084603021.db2.gz CVGTZKMVWJSIJU-KRWDZBQOSA-N 1 3 324.472 2.298 20 0 DEADHO CCCOc1ccccc1CN1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001236072634 1084603336 /nfs/dbraw/zinc/60/33/36/1084603336.db2.gz HGJLMYPXARGWIF-KRWDZBQOSA-N 1 3 303.450 2.083 20 0 DEADHO Nc1ccc2c(c1)CCN(Cc1cccc(N3CC[NH2+]CC3)c1)C2 ZINC001236105889 1084613133 /nfs/dbraw/zinc/61/31/33/1084613133.db2.gz WBSNYXQGRGPCHI-UHFFFAOYSA-N 1 3 322.456 2.237 20 0 DEADHO CC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)C12CCC2 ZINC001078626669 1084770885 /nfs/dbraw/zinc/77/08/85/1084770885.db2.gz SXEXHELJJZYHAI-HUUCEWRRSA-N 1 3 307.482 2.288 20 0 DEADHO Cc1ccsc1CN1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001272934009 1084880292 /nfs/dbraw/zinc/88/02/92/1084880292.db2.gz LJBMYQBCGZLEDK-QGZVFWFLSA-N 1 3 321.490 2.185 20 0 DEADHO Cc1ccsc1C[N@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001272934079 1084886902 /nfs/dbraw/zinc/88/69/02/1084886902.db2.gz MAZSTSHVKCDJEI-QGZVFWFLSA-N 1 3 321.490 2.043 20 0 DEADHO Cc1ccsc1C[N@@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001272934079 1084886905 /nfs/dbraw/zinc/88/69/05/1084886905.db2.gz MAZSTSHVKCDJEI-QGZVFWFLSA-N 1 3 321.490 2.043 20 0 DEADHO C[NH+](C)CCNC(=O)[C@H]1CC12CCN(Cc1ccsc1)CC2 ZINC001272936579 1084922630 /nfs/dbraw/zinc/92/26/30/1084922630.db2.gz OALXQKLCCNBRKW-OAHLLOKOSA-N 1 3 321.490 2.028 20 0 DEADHO CCCC[NH2+][C@H](C)CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001485923054 1084987267 /nfs/dbraw/zinc/98/72/67/1084987267.db2.gz WCRLHUQYWUDLAM-RHSMWYFYSA-N 1 3 315.477 2.436 20 0 DEADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001485945578 1085012682 /nfs/dbraw/zinc/01/26/82/1085012682.db2.gz XSNSWLJPNWMVBP-CJNGLKHVSA-N 1 3 309.429 2.102 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CCCCCF)CN1C(=O)CN(C)C1CCC1 ZINC001486117035 1085073705 /nfs/dbraw/zinc/07/37/05/1085073705.db2.gz XZDXVLCVJYLWHQ-GJZGRUSLSA-N 1 3 313.461 2.190 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC000960150658 1085130315 /nfs/dbraw/zinc/13/03/15/1085130315.db2.gz KCUPPGKFYQHZQB-INIZCTEOSA-N 1 3 304.438 2.113 20 0 DEADHO CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCN1C(C)C ZINC000960262610 1085171512 /nfs/dbraw/zinc/17/15/12/1085171512.db2.gz OBMKZXWVXBUPTG-KZNAEPCWSA-N 1 3 315.461 2.251 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2C[N@H+](C)CC2CCCC2)C1 ZINC000960864576 1085488249 /nfs/dbraw/zinc/48/82/49/1085488249.db2.gz OLCFVRLVTHEKEL-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CCCC2)C1 ZINC000960864576 1085488255 /nfs/dbraw/zinc/48/82/55/1085488255.db2.gz OLCFVRLVTHEKEL-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccccc1)N(C)C ZINC000960872516 1085489536 /nfs/dbraw/zinc/48/95/36/1085489536.db2.gz CKZWNZXIQPXMEW-MSOLQXFVSA-N 1 3 317.477 2.450 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccccc1)N(C)C ZINC000960872516 1085489537 /nfs/dbraw/zinc/48/95/37/1085489537.db2.gz CKZWNZXIQPXMEW-MSOLQXFVSA-N 1 3 317.477 2.450 20 0 DEADHO CC1CCN(CC(=O)N2CCC[C@@H]2C[N@H+](C)CC2CCC2)CC1 ZINC000960939986 1085514288 /nfs/dbraw/zinc/51/42/88/1085514288.db2.gz LWBLVKZXOJWMLS-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CC1CCN(CC(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CCC2)CC1 ZINC000960939986 1085514294 /nfs/dbraw/zinc/51/42/94/1085514294.db2.gz LWBLVKZXOJWMLS-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[NH2+]C1CC2(CC(NC(=O)CN3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC000965932858 1085699450 /nfs/dbraw/zinc/69/94/50/1085699450.db2.gz AODAKWBSFJLTHY-RSOWUBFDSA-N 1 3 307.482 2.285 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000961414424 1085723315 /nfs/dbraw/zinc/72/33/15/1085723315.db2.gz IWFDEYNOFJLIJS-INIZCTEOSA-N 1 3 318.465 2.313 20 0 DEADHO CCC[N@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000961414424 1085723323 /nfs/dbraw/zinc/72/33/23/1085723323.db2.gz IWFDEYNOFJLIJS-INIZCTEOSA-N 1 3 318.465 2.313 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCC3)C[C@H]21 ZINC000961768507 1085856368 /nfs/dbraw/zinc/85/63/68/1085856368.db2.gz BPJKXAFREPTOMU-ITQYTPKQSA-N 1 3 319.493 2.097 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21 ZINC000961768507 1085856381 /nfs/dbraw/zinc/85/63/81/1085856381.db2.gz BPJKXAFREPTOMU-ITQYTPKQSA-N 1 3 319.493 2.097 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001128545090 1086210542 /nfs/dbraw/zinc/21/05/42/1086210542.db2.gz UECRRUAWYGPDNM-DOTOQJQBSA-N 1 3 323.456 2.442 20 0 DEADHO CCC[NH2+]C1CCC(N(C)C(=O)CN2CCC(C)(C)C2)CC1 ZINC000963902859 1086591887 /nfs/dbraw/zinc/59/18/87/1086591887.db2.gz SDADHRRQQWEWBO-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)N1CCC2(CC1)CC[NH+](C(C)C)CC2)N(C)C ZINC000957568331 1088417493 /nfs/dbraw/zinc/41/74/93/1088417493.db2.gz HTHNPXWIWLWHEV-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21)N(C)C ZINC001114795023 1088530858 /nfs/dbraw/zinc/53/08/58/1088530858.db2.gz URAMLPGBVGEAJK-LTIDMASMSA-N 1 3 323.525 2.445 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21)N(C)C ZINC001114795023 1088530870 /nfs/dbraw/zinc/53/08/70/1088530870.db2.gz URAMLPGBVGEAJK-LTIDMASMSA-N 1 3 323.525 2.445 20 0 DEADHO CC[N@H+](CC1CCN(C(=O)C2(N(C)C)CCC2)CC1)C(C)C ZINC000957720827 1088572993 /nfs/dbraw/zinc/57/29/93/1088572993.db2.gz ZOSPVFWAZXABSD-UHFFFAOYSA-N 1 3 309.498 2.440 20 0 DEADHO CC[N@@H+](CC1CCN(C(=O)C2(N(C)C)CCC2)CC1)C(C)C ZINC000957720827 1088573009 /nfs/dbraw/zinc/57/30/09/1088573009.db2.gz ZOSPVFWAZXABSD-UHFFFAOYSA-N 1 3 309.498 2.440 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC001080755934 1089173558 /nfs/dbraw/zinc/17/35/58/1089173558.db2.gz BRLRBGBHIXURSW-BRWVUGGUSA-N 1 3 309.498 2.486 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC001080755934 1089173565 /nfs/dbraw/zinc/17/35/65/1089173565.db2.gz BRLRBGBHIXURSW-BRWVUGGUSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CC1 ZINC000960007680 1089900824 /nfs/dbraw/zinc/90/08/24/1089900824.db2.gz PSOSVTRRRIXRNN-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2)C1)N(C)C ZINC001082724137 1090059584 /nfs/dbraw/zinc/05/95/84/1090059584.db2.gz IVKIHZVQYYFADN-KBAYOESNSA-N 1 3 317.477 2.209 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCC(C)C)C[C@H]21 ZINC001084388046 1090287468 /nfs/dbraw/zinc/28/74/68/1090287468.db2.gz CQIGIDAFQWPKHX-KZNAEPCWSA-N 1 3 321.509 2.440 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCC(C)C)C[C@H]21 ZINC001084388046 1090287473 /nfs/dbraw/zinc/28/74/73/1090287473.db2.gz CQIGIDAFQWPKHX-KZNAEPCWSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001084545648 1090324022 /nfs/dbraw/zinc/32/40/22/1090324022.db2.gz SGRZBIONOBVWKX-KZNAEPCWSA-N 1 3 319.493 2.050 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001084545648 1090324029 /nfs/dbraw/zinc/32/40/29/1090324029.db2.gz SGRZBIONOBVWKX-KZNAEPCWSA-N 1 3 319.493 2.050 20 0 DEADHO CC[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001410190447 1090407276 /nfs/dbraw/zinc/40/72/76/1090407276.db2.gz ZSWYJANWNPJWFL-LUKYLMHMSA-N 1 3 309.498 2.390 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2csc(C)c2)C1 ZINC001410221063 1090436698 /nfs/dbraw/zinc/43/66/98/1090436698.db2.gz MKNIEBBEXGQJLP-KOMQPUFPSA-N 1 3 323.506 2.383 20 0 DEADHO CCCN1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084853209 1090476429 /nfs/dbraw/zinc/47/64/29/1090476429.db2.gz VVNGCAGBPMMGDT-BRWVUGGUSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCc1ccccc1F)N(C)C ZINC001410443553 1090682144 /nfs/dbraw/zinc/68/21/44/1090682144.db2.gz SXEFCGKJWAGZIL-PBHICJAKSA-N 1 3 323.456 2.145 20 0 DEADHO CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001274512256 1091276762 /nfs/dbraw/zinc/27/67/62/1091276762.db2.gz VNNQGVBMUXJQJD-LXXRFIIISA-N 1 3 303.450 2.097 20 0 DEADHO C[C@H]([NH2+]C/C=C\CNC(=O)CN1CCCC1)c1cccc(F)c1 ZINC001274578505 1091307547 /nfs/dbraw/zinc/30/75/47/1091307547.db2.gz JHCLMCSJGIQBAC-GWQWAINWSA-N 1 3 319.424 2.245 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2ccccc2)[C@@H]1C ZINC001411085960 1091328591 /nfs/dbraw/zinc/32/85/91/1091328591.db2.gz OMACDYYXZZUXAN-SJLPKXTDSA-N 1 3 317.477 2.498 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2ccccc2)[C@@H]1C ZINC001411085960 1091328597 /nfs/dbraw/zinc/32/85/97/1091328597.db2.gz OMACDYYXZZUXAN-SJLPKXTDSA-N 1 3 317.477 2.498 20 0 DEADHO CC(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001411236028 1091453122 /nfs/dbraw/zinc/45/31/22/1091453122.db2.gz OFPIVRUMJZFBRM-NVXWUHKLSA-N 1 3 311.514 2.445 20 0 DEADHO CCc1cccc(CN2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c1 ZINC001275061098 1091534428 /nfs/dbraw/zinc/53/44/28/1091534428.db2.gz BSUZYWSSDJLFAB-KDURUIRLSA-N 1 3 301.478 2.459 20 0 DEADHO Cc1nc(CN2CCC3(CN(CC[NH+](C)C)C3)CC2)sc1C ZINC001275079849 1091544368 /nfs/dbraw/zinc/54/43/68/1091544368.db2.gz BAVIWFRFYHWTFW-UHFFFAOYSA-N 1 3 322.522 2.219 20 0 DEADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]2CC1 ZINC001275151476 1091587272 /nfs/dbraw/zinc/58/72/72/1091587272.db2.gz GBDDOHCNBALDOK-IYBDPMFKSA-N 1 3 309.498 2.155 20 0 DEADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]2CC1 ZINC001275151476 1091587282 /nfs/dbraw/zinc/58/72/82/1091587282.db2.gz GBDDOHCNBALDOK-IYBDPMFKSA-N 1 3 309.498 2.155 20 0 DEADHO c1c[nH]c(C[N@H+]2CCCC3(CCN(Cc4cn[nH]n4)CC3)C2)c1 ZINC001275225876 1091623280 /nfs/dbraw/zinc/62/32/80/1091623280.db2.gz JJTDDOFUQSZTGT-UHFFFAOYSA-N 1 3 314.437 2.011 20 0 DEADHO c1c[nH]c(C[N@@H+]2CCCC3(CCN(Cc4cn[nH]n4)CC3)C2)c1 ZINC001275225876 1091623285 /nfs/dbraw/zinc/62/32/85/1091623285.db2.gz JJTDDOFUQSZTGT-UHFFFAOYSA-N 1 3 314.437 2.011 20 0 DEADHO CCc1cc(CN2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)on1 ZINC001275228773 1091624528 /nfs/dbraw/zinc/62/45/28/1091624528.db2.gz JUBMLYBZIBUMBI-GOSISDBHSA-N 1 3 320.481 2.087 20 0 DEADHO CCCC[C@@H](CC)COC[C@H](O)C[NH2+][C@H]1CCCCNC1 ZINC001245986285 1091688415 /nfs/dbraw/zinc/68/84/15/1091688415.db2.gz XHCQBUQKQHGUEE-IXDOHACOSA-N 1 3 300.487 2.312 20 0 DEADHO Cc1cccnc1CN1CCC[C@@]2(CC[N@@H+](CCN(C)C)C2)C1 ZINC001276257852 1091752734 /nfs/dbraw/zinc/75/27/34/1091752734.db2.gz TWWDOHDJZVGVRZ-IBGZPJMESA-N 1 3 316.493 2.240 20 0 DEADHO Cc1cccnc1CN1CCC[C@@]2(CC[N@H+](CCN(C)C)C2)C1 ZINC001276257852 1091752739 /nfs/dbraw/zinc/75/27/39/1091752739.db2.gz TWWDOHDJZVGVRZ-IBGZPJMESA-N 1 3 316.493 2.240 20 0 DEADHO C[C@H]([NH2+]CCF)[C@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001440989720 1091776368 /nfs/dbraw/zinc/77/63/68/1091776368.db2.gz IIPSJGVJTXMGLW-LSDHHAIUSA-N 1 3 315.477 2.293 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)[C@H]2CCC[N@H+](CC3CC3)CC2)C1 ZINC000948779869 1091932301 /nfs/dbraw/zinc/93/23/01/1091932301.db2.gz WPCIMBVXKSVXAG-RDJZCZTQSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)[C@H]2CCC[N@@H+](CC3CC3)CC2)C1 ZINC000948779869 1091932313 /nfs/dbraw/zinc/93/23/13/1091932313.db2.gz WPCIMBVXKSVXAG-RDJZCZTQSA-N 1 3 307.482 2.051 20 0 DEADHO CCCN1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000948985075 1092020978 /nfs/dbraw/zinc/02/09/78/1092020978.db2.gz BSXNYBVJHIYNPZ-WMZOPIPTSA-N 1 3 315.461 2.064 20 0 DEADHO CCCN1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000948985075 1092020988 /nfs/dbraw/zinc/02/09/88/1092020988.db2.gz BSXNYBVJHIYNPZ-WMZOPIPTSA-N 1 3 315.461 2.064 20 0 DEADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC001275865860 1092250811 /nfs/dbraw/zinc/25/08/11/1092250811.db2.gz GZEOVZYYPZWAGS-UHFFFAOYSA-N 1 3 321.490 2.124 20 0 DEADHO CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]2C1 ZINC001489192332 1092967818 /nfs/dbraw/zinc/96/78/18/1092967818.db2.gz APDHGRJBFFCEBE-IXDOHACOSA-N 1 3 309.498 2.297 20 0 DEADHO CCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]2C1 ZINC001489192332 1092967824 /nfs/dbraw/zinc/96/78/24/1092967824.db2.gz APDHGRJBFFCEBE-IXDOHACOSA-N 1 3 309.498 2.297 20 0 DEADHO CN(C)CCN1c2ccccc2C2(CC[NH+](C3CC3)CC2)C1=O ZINC001274017188 1093767156 /nfs/dbraw/zinc/76/71/56/1093767156.db2.gz PRVSIEAHWDZCOL-UHFFFAOYSA-N 1 3 313.445 2.091 20 0 DEADHO CCCN(C)CC(=O)N1CCC([N@H+](CCC)CC2CC2)CC1 ZINC001421028352 1171439654 /nfs/dbraw/zinc/43/96/54/1171439654.db2.gz SCUJGKNKFSHEDY-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCC([N@@H+](CCC)CC2CC2)CC1 ZINC001421028352 1171439656 /nfs/dbraw/zinc/43/96/56/1171439656.db2.gz SCUJGKNKFSHEDY-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO Brc1ccncc1CN1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321372 1138352488 /nfs/dbraw/zinc/35/24/88/1138352488.db2.gz QEDXEWNLMUFXJJ-TXEJJXNPSA-N 1 3 310.239 2.276 20 0 DEADHO CC(C)C[N@H+](C[C@@H]1[C@H](C)CNCC1(F)F)[C@@H]1CCCNC1 ZINC001236472628 1138366652 /nfs/dbraw/zinc/36/66/52/1138366652.db2.gz AGVFQRMAUVQXRD-RBSFLKMASA-N 1 3 303.441 2.187 20 0 DEADHO CC(C)C[N@@H+](C[C@@H]1[C@H](C)CNCC1(F)F)[C@@H]1CCCNC1 ZINC001236472628 1138366656 /nfs/dbraw/zinc/36/66/56/1138366656.db2.gz AGVFQRMAUVQXRD-RBSFLKMASA-N 1 3 303.441 2.187 20 0 DEADHO CC1(C)OC[C@@H](C[N@@H+]2CCCC3(CN(C4CCCC4)C3)C2)O1 ZINC001278066870 1138530314 /nfs/dbraw/zinc/53/03/14/1138530314.db2.gz NGRMKMCGSNBHIC-MRXNPFEDSA-N 1 3 308.466 2.478 20 0 DEADHO CC1(C)OC[C@@H](C[N@H+]2CCCC3(CN(C4CCCC4)C3)C2)O1 ZINC001278066870 1138530355 /nfs/dbraw/zinc/53/03/55/1138530355.db2.gz NGRMKMCGSNBHIC-MRXNPFEDSA-N 1 3 308.466 2.478 20 0 DEADHO C[NH+](C)CCOc1ccc(CN2CCNC3=CCCC[C@@H]32)cc1 ZINC001237225476 1138543361 /nfs/dbraw/zinc/54/33/61/1138543361.db2.gz PCVJULIRKCWIDJ-IBGZPJMESA-N 1 3 315.461 2.469 20 0 DEADHO c1c[nH]c(CN2CC[C@H]3[C@@H]2CCN3CC[NH+]2CCCCC2)c1 ZINC001278153805 1138803952 /nfs/dbraw/zinc/80/39/52/1138803952.db2.gz IRTBWFGOXYPLCY-ROUUACIJSA-N 1 3 302.466 2.149 20 0 DEADHO CC[N@H+](CCC(N)=O)Cc1ccc2c(c1)C(C(C)C)=NCC2 ZINC001237880248 1138808081 /nfs/dbraw/zinc/80/80/81/1138808081.db2.gz HODLPHVWPCCBIF-UHFFFAOYSA-N 1 3 301.434 2.385 20 0 DEADHO CC[N@@H+](CCC(N)=O)Cc1ccc2c(c1)C(C(C)C)=NCC2 ZINC001237880248 1138808082 /nfs/dbraw/zinc/80/80/82/1138808082.db2.gz HODLPHVWPCCBIF-UHFFFAOYSA-N 1 3 301.434 2.385 20 0 DEADHO NCCC[NH2+]CCCNC(=O)Nc1cccc(Cl)c1Cl ZINC001239253055 1139005073 /nfs/dbraw/zinc/00/50/73/1139005073.db2.gz MEVAINMFNINANG-UHFFFAOYSA-N 1 3 319.236 2.443 20 0 DEADHO CCCC[C@@H]1CN(C(=S)NCCC[NH+](CC)CC)CCN1 ZINC001239445363 1139049450 /nfs/dbraw/zinc/04/94/50/1139049450.db2.gz LUXJKFVMYLXOAS-OAHLLOKOSA-N 1 3 314.543 2.057 20 0 DEADHO CC(C)=CC[NH2+]CC[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001318839528 1140432010 /nfs/dbraw/zinc/43/20/10/1140432010.db2.gz YUKOQOFPNDOBTK-OAHLLOKOSA-N 1 3 304.438 2.137 20 0 DEADHO CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001319534540 1140610809 /nfs/dbraw/zinc/61/08/09/1140610809.db2.gz QAAHAPPXMISEBM-PBHICJAKSA-N 1 3 315.477 2.436 20 0 DEADHO CCCC[C@H](CC)COC[C@@H](O)C[NH2+]CC1(N)CCCC1 ZINC001245971261 1140840082 /nfs/dbraw/zinc/84/00/82/1140840082.db2.gz AEVAPUHVJDJWEQ-HOTGVXAUSA-N 1 3 300.487 2.441 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)CN1C(=O)CN1CCCC1 ZINC001278422449 1140840311 /nfs/dbraw/zinc/84/03/11/1140840311.db2.gz CZKGYSNHGHWGJT-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@H](N)C[NH2+]C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001246001327 1140844434 /nfs/dbraw/zinc/84/44/34/1140844434.db2.gz HMOLZHCJONQVEB-DOTOQJQBSA-N 1 3 308.466 2.297 20 0 DEADHO C[C@H]1CN(C[C@H](O)COc2ccc(C(C)(C)C)cc2)C[C@H]1C[NH3+] ZINC001246015401 1140845506 /nfs/dbraw/zinc/84/55/06/1140845506.db2.gz GVUDYUDTQUHYKQ-UXLLHSPISA-N 1 3 320.477 2.250 20 0 DEADHO Cc1ccccc1OC[C@H](O)CN1CCCC[C@@](C)(C[NH3+])C1 ZINC001246019263 1140847657 /nfs/dbraw/zinc/84/76/57/1140847657.db2.gz DHZFHKUETIUHRV-AEFFLSMTSA-N 1 3 306.450 2.186 20 0 DEADHO Clc1cccc(Cl)c1CN[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246075476 1140857928 /nfs/dbraw/zinc/85/79/28/1140857928.db2.gz UDHBYZTXMIQUGL-SNVBAGLBSA-N 1 3 300.233 2.177 20 0 DEADHO C[C@@H]1CC[C@H](CN[C@H]2CCN(Cc3ccccc3)C(=O)C2)C[NH2+]1 ZINC001246090399 1140859678 /nfs/dbraw/zinc/85/96/78/1140859678.db2.gz FZWTTYUSMGINNH-NJAFHUGGSA-N 1 3 315.461 2.155 20 0 DEADHO Cc1cc(F)ccc1[C@@H]1C[C@H](N[C@@H]2CCNC[C@H]2F)CC[NH2+]1 ZINC001246091932 1140860027 /nfs/dbraw/zinc/86/00/27/1140860027.db2.gz HWHIFQVVOPIENA-DZUCGIPZSA-N 1 3 309.404 2.217 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@H]1CN[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001246111995 1140862448 /nfs/dbraw/zinc/86/24/48/1140862448.db2.gz PWMWFXSHWWPVQT-SZMVWBNQSA-N 1 3 315.461 2.155 20 0 DEADHO O=C(c1ccccc1)N1CCC[C@H]([NH2+][C@H]2CNCC23CC3)CC1 ZINC001246135144 1140864690 /nfs/dbraw/zinc/86/46/90/1140864690.db2.gz STEUZNWNSFQBDX-IRXDYDNUSA-N 1 3 313.445 2.023 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ncccc3Cl)CC2)CCN1 ZINC001246239263 1140876640 /nfs/dbraw/zinc/87/66/40/1140876640.db2.gz IQVSSHMBTFZUEE-OCCSQVGLSA-N 1 3 308.857 2.434 20 0 DEADHO CC(C)(C)NC(=O)O[C@@H]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246503141 1140928285 /nfs/dbraw/zinc/92/82/85/1140928285.db2.gz YPODLXISKHKVFA-VVYWCFLBSA-N 1 3 309.454 2.305 20 0 DEADHO COc1ccc(CCN(C[C@@H](C)O)[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC001246531358 1140939682 /nfs/dbraw/zinc/93/96/82/1140939682.db2.gz FBANCUVHFFRYFC-INMHGKMJSA-N 1 3 306.450 2.061 20 0 DEADHO COc1ccc(CC[N@H+](C[C@@H](C)O)[C@H]2CCN[C@H](C)C2)cc1 ZINC001246531358 1140939693 /nfs/dbraw/zinc/93/96/93/1140939693.db2.gz FBANCUVHFFRYFC-INMHGKMJSA-N 1 3 306.450 2.061 20 0 DEADHO COc1ccc(CC[N@@H+](C[C@@H](C)O)[C@H]2CCN[C@H](C)C2)cc1 ZINC001246531358 1140939702 /nfs/dbraw/zinc/93/97/02/1140939702.db2.gz FBANCUVHFFRYFC-INMHGKMJSA-N 1 3 306.450 2.061 20 0 DEADHO CCOC(=O)c1ccc(C[C@H](C)[N@@H+]2C[C@H](C)[C@H](CN)C2)cc1 ZINC001246539510 1140943915 /nfs/dbraw/zinc/94/39/15/1140943915.db2.gz HPHBIEBXQXOUER-GRDNDAEWSA-N 1 3 304.434 2.321 20 0 DEADHO CCOC(=O)c1ccc(C[C@H](C)[N@H+]2C[C@H](C)[C@H](CN)C2)cc1 ZINC001246539510 1140943920 /nfs/dbraw/zinc/94/39/20/1140943920.db2.gz HPHBIEBXQXOUER-GRDNDAEWSA-N 1 3 304.434 2.321 20 0 DEADHO CCOC(=O)c1ccc(C[C@H](C)N2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC001246539510 1140943931 /nfs/dbraw/zinc/94/39/31/1140943931.db2.gz HPHBIEBXQXOUER-GRDNDAEWSA-N 1 3 304.434 2.321 20 0 DEADHO N[C@@H]1CCC[N@@H+]([C@@H]2CCC(=O)N(Cc3ccccc3)CC2)CC1 ZINC001246545023 1140952651 /nfs/dbraw/zinc/95/26/51/1140952651.db2.gz JFBYYRATKMRWKO-QZTJIDSGSA-N 1 3 315.461 2.381 20 0 DEADHO N[C@@H]1CCC[N@H+]([C@@H]2CCC(=O)N(Cc3ccccc3)CC2)CC1 ZINC001246545023 1140952658 /nfs/dbraw/zinc/95/26/58/1140952658.db2.gz JFBYYRATKMRWKO-QZTJIDSGSA-N 1 3 315.461 2.381 20 0 DEADHO C[C@@H](CC(C)(C)SCc1ccco1)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246587930 1140989756 /nfs/dbraw/zinc/98/97/56/1140989756.db2.gz WWYNZCJBBOHTOX-YDHLFZDLSA-N 1 3 312.479 2.321 20 0 DEADHO C[C@@H](CC(C)(C)SCc1ccco1)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246587930 1140989763 /nfs/dbraw/zinc/98/97/63/1140989763.db2.gz WWYNZCJBBOHTOX-YDHLFZDLSA-N 1 3 312.479 2.321 20 0 DEADHO C[C@H](CC(C)(C)SCc1ccco1)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246588630 1140993869 /nfs/dbraw/zinc/99/38/69/1140993869.db2.gz WWYNZCJBBOHTOX-VNHYZAJKSA-N 1 3 312.479 2.321 20 0 DEADHO C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246588630 1140993884 /nfs/dbraw/zinc/99/38/84/1140993884.db2.gz WWYNZCJBBOHTOX-VNHYZAJKSA-N 1 3 312.479 2.321 20 0 DEADHO CC[C@@H](Cc1ccc2c(c1)OCO2)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001246628323 1141011596 /nfs/dbraw/zinc/01/15/96/1141011596.db2.gz BZOGXRIFPRQGSN-YJBOKZPZSA-N 1 3 302.418 2.422 20 0 DEADHO CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2[C@@H]2CCN[C@H](C)C2)O1 ZINC001246746298 1141050029 /nfs/dbraw/zinc/05/00/29/1141050029.db2.gz OVPGEBOWYABINE-DUQPFJRNSA-N 1 3 310.482 2.421 20 0 DEADHO CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2[C@@H]2CCN[C@H](C)C2)O1 ZINC001246746298 1141050040 /nfs/dbraw/zinc/05/00/40/1141050040.db2.gz OVPGEBOWYABINE-DUQPFJRNSA-N 1 3 310.482 2.421 20 0 DEADHO C[C@@H]1C[C@H](N2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)CC[NH2+]1 ZINC001246761472 1141053788 /nfs/dbraw/zinc/05/37/88/1141053788.db2.gz SWFVKXNVGZDWLL-CKEIUWERSA-N 1 3 319.474 2.317 20 0 DEADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)CCN1 ZINC001246761472 1141053797 /nfs/dbraw/zinc/05/37/97/1141053797.db2.gz SWFVKXNVGZDWLL-CKEIUWERSA-N 1 3 319.474 2.317 20 0 DEADHO C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)CCN1 ZINC001246761472 1141053805 /nfs/dbraw/zinc/05/38/05/1141053805.db2.gz SWFVKXNVGZDWLL-CKEIUWERSA-N 1 3 319.474 2.317 20 0 DEADHO CC(C)[C@@H](C(=O)NC/C=C\CNCc1ccsc1)[NH+](C)C ZINC001321108043 1141054360 /nfs/dbraw/zinc/05/43/60/1141054360.db2.gz QWCQTKSKEKCDKP-YVACAVLKSA-N 1 3 309.479 2.096 20 0 DEADHO C[C@@H]1C[C@@H](N2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)CC[NH2+]1 ZINC001246761476 1141054457 /nfs/dbraw/zinc/05/44/57/1141054457.db2.gz SWFVKXNVGZDWLL-JKIFEVAISA-N 1 3 319.474 2.317 20 0 DEADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)CCN1 ZINC001246761476 1141054465 /nfs/dbraw/zinc/05/44/65/1141054465.db2.gz SWFVKXNVGZDWLL-JKIFEVAISA-N 1 3 319.474 2.317 20 0 DEADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)CCN1 ZINC001246761476 1141054475 /nfs/dbraw/zinc/05/44/75/1141054475.db2.gz SWFVKXNVGZDWLL-JKIFEVAISA-N 1 3 319.474 2.317 20 0 DEADHO COC(=O)[C@@H]1CN([C@@H]2CC[NH2+][C@@H](C)C2)C[C@@H]1c1ccccc1 ZINC001246983324 1141215019 /nfs/dbraw/zinc/21/50/19/1141215019.db2.gz HNKAFPQRCLEIRY-RKTXRCNFSA-N 1 3 302.418 2.016 20 0 DEADHO C[NH+](C)Cc1cccc(C(=O)NC/C=C\CNC/C=C\Cl)c1 ZINC001321418222 1141242102 /nfs/dbraw/zinc/24/21/02/1141242102.db2.gz XZUBIJWGCHIVIZ-UBCGXMOYSA-N 1 3 321.852 2.376 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC001278487033 1141361399 /nfs/dbraw/zinc/36/13/99/1141361399.db2.gz LFFYQFWSSWPMCB-USXIJHARSA-N 1 3 316.449 2.135 20 0 DEADHO CC(C)(C)c1ccc(-c2noc([C@H]3CNCC34C[NH2+]C4)n2)cc1 ZINC001247832234 1141543315 /nfs/dbraw/zinc/54/33/15/1141543315.db2.gz WOKOMISZESYFMZ-CQSZACIVSA-N 1 3 312.417 2.311 20 0 DEADHO CC[C@H](C(=O)N(C)CCC[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001322791997 1141717504 /nfs/dbraw/zinc/71/75/04/1141717504.db2.gz GFWKYBYCXHLXLU-QGZVFWFLSA-N 1 3 323.456 2.412 20 0 DEADHO C[N@@H+]1CCC[C@@H](NC[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC001250681984 1142264840 /nfs/dbraw/zinc/26/48/40/1142264840.db2.gz NDHZRPWVUVHMRT-CABCVRRESA-N 1 3 312.841 2.154 20 0 DEADHO C[N@H+]1CCC[C@@H](NC[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC001250681984 1142264846 /nfs/dbraw/zinc/26/48/46/1142264846.db2.gz NDHZRPWVUVHMRT-CABCVRRESA-N 1 3 312.841 2.154 20 0 DEADHO CC(C)N1CC[C@H]([NH2+]C[C@@H](O)COc2cccc(F)c2)[C@H](C)C1 ZINC001250842668 1142333342 /nfs/dbraw/zinc/33/33/42/1142333342.db2.gz UOYXMDFLZKMFHQ-KYJSFNMBSA-N 1 3 324.440 2.274 20 0 DEADHO Cc1ccccc1OC[C@H](O)C[NH2+]CCCN1CCC(C)CC1 ZINC001251727987 1142498463 /nfs/dbraw/zinc/49/84/63/1142498463.db2.gz UPUAAVBFULKPPB-GOSISDBHSA-N 1 3 320.477 2.446 20 0 DEADHO CC(C)N1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(F)cc2)[C@H](C)C1 ZINC001251953097 1142563765 /nfs/dbraw/zinc/56/37/65/1142563765.db2.gz RJCOSDOKYQAACR-KYJSFNMBSA-N 1 3 324.440 2.274 20 0 DEADHO O[C@H](C[NH2+]C1CCN(CC2CCOCC2)CC1)c1ccccc1 ZINC001252010734 1142591519 /nfs/dbraw/zinc/59/15/19/1142591519.db2.gz MQRXZWSELWOJEK-LJQANCHMSA-N 1 3 318.461 2.201 20 0 DEADHO CC[NH+](CC)C[C@H](O)CN[C@@H]1CCc2c3ccccc3[nH]c2C1 ZINC001253211232 1142854724 /nfs/dbraw/zinc/85/47/24/1142854724.db2.gz UNKPJKPGFWICJB-HUUCEWRRSA-N 1 3 315.461 2.318 20 0 DEADHO CC[NH+](CC)C[C@H](O)CNCC1(Cc2ccc(OC)cc2)CC1 ZINC001253214158 1142855416 /nfs/dbraw/zinc/85/54/16/1142855416.db2.gz NXWWUQRCQYTQMK-QGZVFWFLSA-N 1 3 320.477 2.310 20 0 DEADHO OC1(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001254037513 1143029800 /nfs/dbraw/zinc/02/98/00/1143029800.db2.gz VWDOBDGFUSCZAL-OKZBNKHCSA-N 1 3 318.436 2.303 20 0 DEADHO CC(=O)N1CCC(N[C@@H](CC[NH+](C)C)c2ccccc2)CC1 ZINC001254414081 1143108338 /nfs/dbraw/zinc/10/83/38/1143108338.db2.gz SJUZBIZTJYOFHB-SFHVURJKSA-N 1 3 303.450 2.280 20 0 DEADHO CC(C)C[C@H]([NH3+])CC(=O)NCCCN1CCc2ccccc2C1 ZINC001340042389 1143243778 /nfs/dbraw/zinc/24/37/78/1143243778.db2.gz XBIXICUJQQBJKC-SFHVURJKSA-N 1 3 317.477 2.315 20 0 DEADHO c1ccc(CN2C[C@H]3C[C@@H](C2)N3[C@@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254865536 1143345424 /nfs/dbraw/zinc/34/54/24/1143345424.db2.gz CSZNUGKQVUJFAF-AQNXPRMDSA-N 1 3 311.473 2.429 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001340961543 1143507822 /nfs/dbraw/zinc/50/78/22/1143507822.db2.gz VPKNYDXTERVOGQ-CHWSQXEVSA-N 1 3 323.403 2.237 20 0 DEADHO CN(Cc1ccccc1F)C1CC[NH+]([C@@H]2CCN(C)C2)CC1 ZINC001255441232 1143631137 /nfs/dbraw/zinc/63/11/37/1143631137.db2.gz MHXZWIMYAZNWCP-QGZVFWFLSA-N 1 3 305.441 2.426 20 0 DEADHO Cc1c[nH+]ccc1N1CCN(C2CCC3(CC2)OCCO3)CC1 ZINC001255630523 1143792546 /nfs/dbraw/zinc/79/25/46/1143792546.db2.gz NJBBTTMUBFFBQM-UHFFFAOYSA-N 1 3 317.433 2.198 20 0 DEADHO CCN(C(=O)C[C@@H](N)c1cc(C)nc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC001342173826 1143800841 /nfs/dbraw/zinc/80/08/41/1143800841.db2.gz NQOTZGZHOLOYFU-UONOGXRCSA-N 1 3 324.856 2.034 20 0 DEADHO COCCOc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cn1 ZINC001255670722 1143800944 /nfs/dbraw/zinc/80/09/44/1143800944.db2.gz YYIIACDTWMWKAF-ALOPSCKCSA-N 1 3 319.449 2.212 20 0 DEADHO CN(C)C[C@H](NC(=O)/C=C/[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC001342281277 1143808899 /nfs/dbraw/zinc/80/88/99/1143808899.db2.gz QXSWRPXWLNOUDS-IMPYYYBHSA-N 1 3 319.424 2.100 20 0 DEADHO C[C@@H]1CCCCN1CCC[NH2+]C1CCN(c2ncccn2)CC1 ZINC001256046628 1143824631 /nfs/dbraw/zinc/82/46/31/1143824631.db2.gz ODRZJBCFQIPOCU-MRXNPFEDSA-N 1 3 317.481 2.300 20 0 DEADHO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C(=O)c1ccc(Nc2ccncc2)cc1 ZINC001342627418 1143827467 /nfs/dbraw/zinc/82/74/67/1143827467.db2.gz AVHALFUBNYJGTE-QLFBSQMISA-N 1 3 324.428 2.458 20 0 DEADHO C[C@H](Cc1ccccn1)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001256406030 1143846915 /nfs/dbraw/zinc/84/69/15/1143846915.db2.gz RKTSIDNBNCRBIA-MRXNPFEDSA-N 1 3 317.477 2.493 20 0 DEADHO C[C@H](Cc1ccccn1)NC1CC[NH+](CC2CCOCC2)CC1 ZINC001256406030 1143846917 /nfs/dbraw/zinc/84/69/17/1143846917.db2.gz RKTSIDNBNCRBIA-MRXNPFEDSA-N 1 3 317.477 2.493 20 0 DEADHO C[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)N3C)CC[C@]1(O)C(F)(F)F ZINC001256622262 1143858083 /nfs/dbraw/zinc/85/80/83/1143858083.db2.gz GIFAJZASRIZLRR-BEUHCMRWSA-N 1 3 306.372 2.247 20 0 DEADHO C[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)N3C)CC[C@]1(O)C(F)(F)F ZINC001256622262 1143858084 /nfs/dbraw/zinc/85/80/84/1143858084.db2.gz GIFAJZASRIZLRR-BEUHCMRWSA-N 1 3 306.372 2.247 20 0 DEADHO Fc1ccccc1OCC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256678942 1143861585 /nfs/dbraw/zinc/86/15/85/1143861585.db2.gz WMRYVSYHTXVYJE-UHFFFAOYSA-N 1 3 322.424 2.438 20 0 DEADHO c1ccc2c(c1)OC(C[NH2+]C1CCC(N3CCOCC3)CC1)O2 ZINC001256684345 1143862025 /nfs/dbraw/zinc/86/20/25/1143862025.db2.gz PZLSICDOESFOJZ-UHFFFAOYSA-N 1 3 318.417 2.017 20 0 DEADHO C[C@](CO)([NH2+]C1CCC(N2CCOCC2)CC1)c1ccccc1 ZINC001256684585 1143862092 /nfs/dbraw/zinc/86/20/92/1143862092.db2.gz UKAWAVPNJAFENI-CTWPCTMYSA-N 1 3 318.461 2.127 20 0 DEADHO [NH3+]Cc1cccc2cnn(C3CCC(N4CCOCC4)CC3)c21 ZINC001256683398 1143862187 /nfs/dbraw/zinc/86/21/87/1143862187.db2.gz ZVGOJRABXVTRLW-UHFFFAOYSA-N 1 3 314.433 2.311 20 0 DEADHO c1cncc(CC2([NH2+]C3CCC(N4CCOCC4)CC3)CC2)c1 ZINC001256687513 1143862415 /nfs/dbraw/zinc/86/24/15/1143862415.db2.gz XHGVWJIJIQFLTN-UHFFFAOYSA-N 1 3 315.461 2.390 20 0 DEADHO COCc1cccc([C@H](CO)[NH2+]C2CCN(C(C)C)CC2)c1 ZINC001257213847 1143893583 /nfs/dbraw/zinc/89/35/83/1143893583.db2.gz SETNLUFSKJNMRV-SFHVURJKSA-N 1 3 306.450 2.329 20 0 DEADHO CC(C)C(=O)N1CC[C@H]2CN(C3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001257217592 1143893922 /nfs/dbraw/zinc/89/39/22/1143893922.db2.gz UPKFTBNCPPUPPT-FUHWJXTLSA-N 1 3 321.509 2.438 20 0 DEADHO Cc1cnc(O[C@@H]2CC[N@@H+](C3CCN(C(C)C)CC3)C2)nc1 ZINC001257223164 1143894713 /nfs/dbraw/zinc/89/47/13/1143894713.db2.gz LECHRIBMDPSXMQ-MRXNPFEDSA-N 1 3 304.438 2.111 20 0 DEADHO Cc1cnc(O[C@@H]2CC[N@H+](C3CCN(C(C)C)CC3)C2)nc1 ZINC001257223164 1143894714 /nfs/dbraw/zinc/89/47/14/1143894714.db2.gz LECHRIBMDPSXMQ-MRXNPFEDSA-N 1 3 304.438 2.111 20 0 DEADHO CCC[NH+]1CCC(N2CC[C@@H]3[C@@H](CCN3C(=O)C(C)C)C2)CC1 ZINC001258774815 1144040868 /nfs/dbraw/zinc/04/08/68/1144040868.db2.gz PRKGUFVAAZUHKF-FUHWJXTLSA-N 1 3 321.509 2.440 20 0 DEADHO CC[NH+](CC)CCC[C@@H](C)NCc1cc(OCCOC)ncn1 ZINC001258905805 1144053159 /nfs/dbraw/zinc/05/31/59/1144053159.db2.gz XTXXCAOVIIURTQ-OAHLLOKOSA-N 1 3 324.469 2.102 20 0 DEADHO CC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001265459605 1144705266 /nfs/dbraw/zinc/70/52/66/1144705266.db2.gz GGXBBSXXTICUMV-JOGGYFKDSA-N 1 3 307.482 2.408 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001265923490 1144759018 /nfs/dbraw/zinc/75/90/18/1144759018.db2.gz RTKNUKINBWCMJG-HNNXBMFYSA-N 1 3 321.440 2.106 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001265923490 1144759022 /nfs/dbraw/zinc/75/90/22/1144759022.db2.gz RTKNUKINBWCMJG-HNNXBMFYSA-N 1 3 321.440 2.106 20 0 DEADHO CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001266037356 1144797238 /nfs/dbraw/zinc/79/72/38/1144797238.db2.gz PYCMQNIFZZJVNT-BDUNBXCCSA-N 1 3 307.482 2.267 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001266041227 1144798829 /nfs/dbraw/zinc/79/88/29/1144798829.db2.gz QSKRCUBBMHSBGX-DLBZAZTESA-N 1 3 307.482 2.099 20 0 DEADHO CCC[NH2+]Cc1ccc(CNC(=O)[C@H](CC)N(C)C)c(F)c1 ZINC001279722266 1144827570 /nfs/dbraw/zinc/82/75/70/1144827570.db2.gz FATMGZAMKOETPU-INIZCTEOSA-N 1 3 309.429 2.282 20 0 DEADHO CCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](CC)N(C)C ZINC001281912611 1144919125 /nfs/dbraw/zinc/91/91/25/1144919125.db2.gz PKLUUSDOXDMLNE-KZNAEPCWSA-N 1 3 317.477 2.499 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]C/C=C/Cl)N(C)C ZINC001282337566 1145041182 /nfs/dbraw/zinc/04/11/82/1145041182.db2.gz MBLCSEJZFUINMP-VFNNOXKTSA-N 1 3 317.905 2.399 20 0 DEADHO CN(C)CCC[N@H+](C)CCNc1cc(-c2ccccc2)ncn1 ZINC001364228387 1145091322 /nfs/dbraw/zinc/09/13/22/1145091322.db2.gz MDKZEXBCHATYPW-UHFFFAOYSA-N 1 3 313.449 2.439 20 0 DEADHO CN(C)CCC[N@@H+](C)CCNc1cc(-c2ccccc2)ncn1 ZINC001364228387 1145091332 /nfs/dbraw/zinc/09/13/32/1145091332.db2.gz MDKZEXBCHATYPW-UHFFFAOYSA-N 1 3 313.449 2.439 20 0 DEADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@H]1CCC[C@]3(CCOC3)O1)C2 ZINC001364424053 1145242729 /nfs/dbraw/zinc/24/27/29/1145242729.db2.gz BODXAVQEMJLFHR-KZNAEPCWSA-N 1 3 308.466 2.132 20 0 DEADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@H]1CCC[C@]3(CCOC3)O1)C2 ZINC001364424053 1145242737 /nfs/dbraw/zinc/24/27/37/1145242737.db2.gz BODXAVQEMJLFHR-KZNAEPCWSA-N 1 3 308.466 2.132 20 0 DEADHO CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@@H]1C ZINC001364647157 1145400327 /nfs/dbraw/zinc/40/03/27/1145400327.db2.gz WZZBWEDGPNYMRG-MAUKXSAKSA-N 1 3 317.477 2.456 20 0 DEADHO Cc1c[nH]c(=O)c(C[NH2+]C2CCC(C)(N3CCOCC3)CC2)c1 ZINC001364757871 1145543565 /nfs/dbraw/zinc/54/35/65/1145543565.db2.gz MHUAXVSDVCTVEH-UHFFFAOYSA-N 1 3 319.449 2.219 20 0 DEADHO C[C@H](CC[NH2+]C1CC2(C[C@@H]2NC(=O)OC(C)(C)C)C1)N(C)C ZINC001364988203 1145735048 /nfs/dbraw/zinc/73/50/48/1145735048.db2.gz WHWSWZAIZPRHEZ-ZBUZPQQSSA-N 1 3 311.470 2.362 20 0 DEADHO CC(C)=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001284241505 1145824892 /nfs/dbraw/zinc/82/48/92/1145824892.db2.gz KDDZSZKSTUIESX-HUUCEWRRSA-N 1 3 304.438 2.101 20 0 DEADHO C[C@@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccc2c(c1)CCC2 ZINC001365292526 1145839796 /nfs/dbraw/zinc/83/97/96/1145839796.db2.gz JBMPEIIAFADGLO-CQSZACIVSA-N 1 3 315.461 2.036 20 0 DEADHO CC[N@H+](C)[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC001365304006 1145842753 /nfs/dbraw/zinc/84/27/53/1145842753.db2.gz JKEKTFUAIVIVET-IAGOWNOFSA-N 1 3 318.465 2.025 20 0 DEADHO CC[N@@H+](C)[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC001365304006 1145842754 /nfs/dbraw/zinc/84/27/54/1145842754.db2.gz JKEKTFUAIVIVET-IAGOWNOFSA-N 1 3 318.465 2.025 20 0 DEADHO CCC[NH+]1CCC(CNCc2c(Cl)nc(OC)n2C)CC1 ZINC001365358620 1145858191 /nfs/dbraw/zinc/85/81/91/1145858191.db2.gz HCRKZZSFNYQIKD-UHFFFAOYSA-N 1 3 314.861 2.294 20 0 DEADHO COc1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)cc1F ZINC001365366291 1145860288 /nfs/dbraw/zinc/86/02/88/1145860288.db2.gz YPFVPXIFWVWMRQ-IAGOWNOFSA-N 1 3 322.424 2.302 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CC2)C1)N(C)C ZINC001365857157 1146030288 /nfs/dbraw/zinc/03/02/88/1146030288.db2.gz GWCFBMAUHGQPEV-BBWFWOEESA-N 1 3 309.498 2.247 20 0 DEADHO C[C@H](C(=O)N1CC[C@H](NC/C=C/Cl)C1)[NH+]1CCCCCC1 ZINC001366385018 1147245978 /nfs/dbraw/zinc/24/59/78/1147245978.db2.gz JSNRZXCJNROGDW-OSZGCLPASA-N 1 3 313.873 2.194 20 0 DEADHO CC[C@H](C)C[N@H+](C)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001366426141 1147267668 /nfs/dbraw/zinc/26/76/68/1147267668.db2.gz AQMNOKGQAALSKF-DOTOQJQBSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C)C[N@@H+](C)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001366426141 1147267671 /nfs/dbraw/zinc/26/76/71/1147267671.db2.gz AQMNOKGQAALSKF-DOTOQJQBSA-N 1 3 309.498 2.440 20 0 DEADHO Cc1cc(C[NH2+][C@@H](C)CCNC(=O)CN2CC[C@@H](C)C2)cs1 ZINC001366486672 1147306754 /nfs/dbraw/zinc/30/67/54/1147306754.db2.gz OMKKRCZASXJYGN-KGLIPLIRSA-N 1 3 323.506 2.383 20 0 DEADHO C[C@H](c1ccc(Cl)cc1)N(C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001366587804 1147376362 /nfs/dbraw/zinc/37/63/62/1147376362.db2.gz RHGRKFLGRBSXMO-HIFRSBDPSA-N 1 3 323.868 2.401 20 0 DEADHO C[C@H](c1ccc(Cl)cc1)N(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001366587804 1147376366 /nfs/dbraw/zinc/37/63/66/1147376366.db2.gz RHGRKFLGRBSXMO-HIFRSBDPSA-N 1 3 323.868 2.401 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001366776284 1147554785 /nfs/dbraw/zinc/55/47/85/1147554785.db2.gz STOKYFUJYMXLBW-AWEZNQCLSA-N 1 3 309.429 2.275 20 0 DEADHO CC[C@H](C)C[NH2+][C@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001366782318 1147557493 /nfs/dbraw/zinc/55/74/93/1147557493.db2.gz LKOURPXUYKPPHP-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCc2cccs2)C1)N(C)C ZINC001367026857 1147635644 /nfs/dbraw/zinc/63/56/44/1147635644.db2.gz WGLYTTJDCSIBNY-HOCLYGCPSA-N 1 3 323.506 2.067 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CCc2cccs2)C1)N(C)C ZINC001367026857 1147635645 /nfs/dbraw/zinc/63/56/45/1147635645.db2.gz WGLYTTJDCSIBNY-HOCLYGCPSA-N 1 3 323.506 2.067 20 0 DEADHO CC[C@@H](CNC(=O)Cc1nc[nH]c1C)[NH2+]CC1CC(C)(C)C1 ZINC001367131824 1147654406 /nfs/dbraw/zinc/65/44/06/1147654406.db2.gz DUCMKVSLRKQBON-AWEZNQCLSA-N 1 3 306.454 2.181 20 0 DEADHO CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)NCc1ccccc1F ZINC001367135771 1147654963 /nfs/dbraw/zinc/65/49/63/1147654963.db2.gz UBBYJKRULRCALB-NVXWUHKLSA-N 1 3 323.456 2.396 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2)[C@H](C)C1 ZINC001367437417 1147694173 /nfs/dbraw/zinc/69/41/73/1147694173.db2.gz HERBMLKQMDERAA-AEFFLSMTSA-N 1 3 317.477 2.353 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCCCCF)C1 ZINC001317362680 1147696312 /nfs/dbraw/zinc/69/63/12/1147696312.db2.gz GYBOYQITMPXUDM-CABCVRRESA-N 1 3 324.444 2.417 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001367561272 1147716516 /nfs/dbraw/zinc/71/65/16/1147716516.db2.gz LAJPNYNATYSSIS-CVEARBPZSA-N 1 3 323.506 2.463 20 0 DEADHO Cc1cc(C[NH2+]CCN(C)C(=O)CN2CCC(C)CC2)cs1 ZINC001317642083 1147737385 /nfs/dbraw/zinc/73/73/85/1147737385.db2.gz NVHNRJFDKHNASG-UHFFFAOYSA-N 1 3 323.506 2.336 20 0 DEADHO Cc1cccc(C)c1C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001317652275 1147739041 /nfs/dbraw/zinc/73/90/41/1147739041.db2.gz IWAQYSZAVMCLEE-GOSISDBHSA-N 1 3 319.493 2.438 20 0 DEADHO C[C@@H](CN(C)Cc1ccccc1C1CC1)NC(=O)CC[NH+](C)C ZINC001367831245 1147755467 /nfs/dbraw/zinc/75/54/67/1147755467.db2.gz HSGKYQWYEISITO-HNNXBMFYSA-N 1 3 317.477 2.452 20 0 DEADHO CC[N@H+](C)CCC(=O)NCC1(N[C@H](C)c2cccc(F)c2)CC1 ZINC001368029870 1147835121 /nfs/dbraw/zinc/83/51/21/1147835121.db2.gz ASVAKHMKODAPPY-CQSZACIVSA-N 1 3 321.440 2.467 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCC1(N[C@H](C)c2cccc(F)c2)CC1 ZINC001368029870 1147835122 /nfs/dbraw/zinc/83/51/22/1147835122.db2.gz ASVAKHMKODAPPY-CQSZACIVSA-N 1 3 321.440 2.467 20 0 DEADHO Cc1cccc(CNC2(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)c1 ZINC001368037564 1147838610 /nfs/dbraw/zinc/83/86/10/1147838610.db2.gz OCKTWWMQQMIPMT-KRWDZBQOSA-N 1 3 315.461 2.075 20 0 DEADHO Cc1cccc(CNC2(CNC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC001368037564 1147838612 /nfs/dbraw/zinc/83/86/12/1147838612.db2.gz OCKTWWMQQMIPMT-KRWDZBQOSA-N 1 3 315.461 2.075 20 0 DEADHO C[C@H]1CCN[C@H](C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000423443643 290603484 /nfs/dbraw/zinc/60/34/84/290603484.db2.gz QNQOISYXCRLHQR-YOEHRIQHSA-N 1 3 307.482 2.288 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277084358 282146165 /nfs/dbraw/zinc/14/61/65/282146165.db2.gz AUQLTTSHFRRGEW-QGZVFWFLSA-N 1 3 303.450 2.305 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)N(C)C[C@H]2CCCN(C)C2)CC1 ZINC000175951337 282197623 /nfs/dbraw/zinc/19/76/23/282197623.db2.gz CSNIJHFZLWFZJI-KRWDZBQOSA-N 1 3 324.513 2.092 20 0 DEADHO C[NH2+]CCc1ccccc1C(=O)N[C@H](CC(C)C)CN(C)C ZINC000336859183 290670718 /nfs/dbraw/zinc/67/07/18/290670718.db2.gz FPYZBWIWILARAI-MRXNPFEDSA-N 1 3 305.466 2.155 20 0 DEADHO CCC(CC)[C@H](CN[C@@H](C1CC1)[C@H]1CNCCO1)[NH+]1CCCC1 ZINC000422818208 282276563 /nfs/dbraw/zinc/27/65/63/282276563.db2.gz JTNVMSIFSAHWQQ-OTWHNJEPSA-N 1 3 323.525 2.244 20 0 DEADHO CCC(CC)[C@H](C[NH2+][C@@H](C1CC1)[C@H]1CNCCO1)N1CCCC1 ZINC000422818208 282276567 /nfs/dbraw/zinc/27/65/67/282276567.db2.gz JTNVMSIFSAHWQQ-OTWHNJEPSA-N 1 3 323.525 2.244 20 0 DEADHO C[C@H](NC(=O)N1CCN[C@H](C)[C@@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000418160176 299108121 /nfs/dbraw/zinc/10/81/21/299108121.db2.gz BBCNTNIJNZXZQO-AESZEHBQSA-N 1 3 318.465 2.070 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000193841567 539715906 /nfs/dbraw/zinc/71/59/06/539715906.db2.gz DOTWAUMAALUXBZ-OAHLLOKOSA-N 1 3 324.513 2.423 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000246250775 539762917 /nfs/dbraw/zinc/76/29/17/539762917.db2.gz JUURXKNBLXRHDH-VNQPRFMTSA-N 1 3 321.490 2.204 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C[C@@H](N)c1ccccc1 ZINC000237504086 186298643 /nfs/dbraw/zinc/29/86/43/186298643.db2.gz STHYIQLNAAYWMK-DOTOQJQBSA-N 1 3 303.450 2.457 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)C[C@@H](N)c1ccccc1 ZINC000237504086 186298645 /nfs/dbraw/zinc/29/86/45/186298645.db2.gz STHYIQLNAAYWMK-DOTOQJQBSA-N 1 3 303.450 2.457 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@]34C[C@H]3CCC4)CC2)CC1 ZINC000617215915 363055309 /nfs/dbraw/zinc/05/53/09/363055309.db2.gz KRWVSZOZIMDWFG-VQIMIIECSA-N 1 3 319.493 2.242 20 0 DEADHO C[C@@H](CC(N)=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000341884895 295842273 /nfs/dbraw/zinc/84/22/73/295842273.db2.gz IKCVSVBMMJQSFE-HNNXBMFYSA-N 1 3 303.450 2.272 20 0 DEADHO CCN(CCC[NH+](CC)CC)C(=O)[C@@H]1CNCc2ccccc21 ZINC000322968893 539904815 /nfs/dbraw/zinc/90/48/15/539904815.db2.gz WKCXGRAOFOOSHP-GOSISDBHSA-N 1 3 317.477 2.454 20 0 DEADHO Cc1cc([C@@H](C)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cs1 ZINC000333252214 539953374 /nfs/dbraw/zinc/95/33/74/539953374.db2.gz HAGQJOLFUABHGQ-VMGRFDJRSA-N 1 3 321.490 2.354 20 0 DEADHO C[C@@H](O)CCN(C)Cc1ccccc1C[N@H+](C)CC[C@@H](C)O ZINC000173563598 198227953 /nfs/dbraw/zinc/22/79/53/198227953.db2.gz KFJCWGJOSVFNDL-HZPDHXFCSA-N 1 3 308.466 2.092 20 0 DEADHO C[C@@H](O)CCN(C)Cc1ccccc1C[N@@H+](C)CC[C@@H](C)O ZINC000173563598 198227955 /nfs/dbraw/zinc/22/79/55/198227955.db2.gz KFJCWGJOSVFNDL-HZPDHXFCSA-N 1 3 308.466 2.092 20 0 DEADHO COc1ccc(OC)c(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339075024 539986150 /nfs/dbraw/zinc/98/61/50/539986150.db2.gz PDDHDHFQHGXDPB-CVEARBPZSA-N 1 3 304.434 2.463 20 0 DEADHO COc1ccc(OC)c(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339075024 539986154 /nfs/dbraw/zinc/98/61/54/539986154.db2.gz PDDHDHFQHGXDPB-CVEARBPZSA-N 1 3 304.434 2.463 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000359927372 535228441 /nfs/dbraw/zinc/22/84/41/535228441.db2.gz XQIPDHLDDGNQAA-HZPDHXFCSA-N 1 3 312.502 2.090 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000359927372 535228447 /nfs/dbraw/zinc/22/84/47/535228447.db2.gz XQIPDHLDDGNQAA-HZPDHXFCSA-N 1 3 312.502 2.090 20 0 DEADHO CCCN(C)CC(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000355594761 535249035 /nfs/dbraw/zinc/24/90/35/535249035.db2.gz HIWLYJFXJIHOLL-UHFFFAOYSA-N 1 3 305.466 2.485 20 0 DEADHO CCCN(C)CC(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000355594761 535249038 /nfs/dbraw/zinc/24/90/38/535249038.db2.gz HIWLYJFXJIHOLL-UHFFFAOYSA-N 1 3 305.466 2.485 20 0 DEADHO CC(C)(N)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000236799374 202015599 /nfs/dbraw/zinc/01/55/99/202015599.db2.gz XWRVIYAKVRVXNY-UHFFFAOYSA-N 1 3 303.450 2.416 20 0 DEADHO CCC[C@@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051242143 354382264 /nfs/dbraw/zinc/38/22/64/354382264.db2.gz SQVAIKTWNOXLIK-CQSZACIVSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H]1CCC[C@](CNC(=O)NCCN2CCCCC2)([NH+](C)C)C1 ZINC000052518984 354405327 /nfs/dbraw/zinc/40/53/27/354405327.db2.gz VJNJELQBDVWFBU-WMZOPIPTSA-N 1 3 324.513 2.282 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)Cc1ccccc1 ZINC000060335659 354610818 /nfs/dbraw/zinc/61/08/18/354610818.db2.gz ZMNYETUFSHSGJL-QGZVFWFLSA-N 1 3 303.450 2.109 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(C)Cc1ccccc1 ZINC000060335659 354610820 /nfs/dbraw/zinc/61/08/20/354610820.db2.gz ZMNYETUFSHSGJL-QGZVFWFLSA-N 1 3 303.450 2.109 20 0 DEADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C2CCN(C)CC2)C1 ZINC000073034647 354938371 /nfs/dbraw/zinc/93/83/71/354938371.db2.gz WTGBETBSQIOYPU-GJZGRUSLSA-N 1 3 309.498 2.201 20 0 DEADHO CC[NH+](CC)Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000073896237 354990493 /nfs/dbraw/zinc/99/04/93/354990493.db2.gz LUKMWSKEWZMYPZ-UHFFFAOYSA-N 1 3 303.450 2.354 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)C1(N)CCCC1)Cc1ccccc1 ZINC000236818745 202024584 /nfs/dbraw/zinc/02/45/84/202024584.db2.gz DYPDDJQSFJJNBL-QGZVFWFLSA-N 1 3 317.477 2.327 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCN2CCC(C)CC2)C1 ZINC000073659530 191338044 /nfs/dbraw/zinc/33/80/44/191338044.db2.gz DIBOZNVOFXSQOA-KRWDZBQOSA-N 1 3 324.513 2.092 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCN2CCC(C)CC2)C1 ZINC000073659530 191338047 /nfs/dbraw/zinc/33/80/47/191338047.db2.gz DIBOZNVOFXSQOA-KRWDZBQOSA-N 1 3 324.513 2.092 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000382715744 540123394 /nfs/dbraw/zinc/12/33/94/540123394.db2.gz CLZJWAWJUZVPAC-BPQIPLTHSA-N 1 3 315.461 2.237 20 0 DEADHO CC1CCN(CCNC(=O)N2CCC(CC[NH+](C)C)CC2)CC1 ZINC000079609569 355320587 /nfs/dbraw/zinc/32/05/87/355320587.db2.gz PTLYTOCRMXWRAG-UHFFFAOYSA-N 1 3 324.513 2.092 20 0 DEADHO C[C@H]1CCCN(CCNC(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000079609814 355321024 /nfs/dbraw/zinc/32/10/24/355321024.db2.gz NWOZLVZTIDVKGZ-INIZCTEOSA-N 1 3 324.513 2.092 20 0 DEADHO CN(CCNC(=O)c1cccc2c1CC[NH2+]C2)Cc1ccccc1 ZINC000395319970 540139308 /nfs/dbraw/zinc/13/93/08/540139308.db2.gz LDEGFJQBRNDFCW-UHFFFAOYSA-N 1 3 323.440 2.194 20 0 DEADHO Cc1ccc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)cn1 ZINC000415132671 540159028 /nfs/dbraw/zinc/15/90/28/540159028.db2.gz LLCJPTZHZSVTFG-UHFFFAOYSA-N 1 3 324.472 2.473 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+](C)CC[C@H](C)O)CC1 ZINC000093481704 355683936 /nfs/dbraw/zinc/68/39/36/355683936.db2.gz YWXZVQQXZNEWAO-INIZCTEOSA-N 1 3 305.466 2.031 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+](C)CC[C@H](C)O)CC1 ZINC000093481704 355683939 /nfs/dbraw/zinc/68/39/39/355683939.db2.gz YWXZVQQXZNEWAO-INIZCTEOSA-N 1 3 305.466 2.031 20 0 DEADHO C[N@@H+]1CCCN(CCCNCc2csc(C3CC3)n2)CC1 ZINC000113336917 355758780 /nfs/dbraw/zinc/75/87/80/355758780.db2.gz DCRALSCENPYZCW-UHFFFAOYSA-N 1 3 308.495 2.138 20 0 DEADHO C[N@H+]1CCCN(CCCNCc2csc(C3CC3)n2)CC1 ZINC000113336917 355758784 /nfs/dbraw/zinc/75/87/84/355758784.db2.gz DCRALSCENPYZCW-UHFFFAOYSA-N 1 3 308.495 2.138 20 0 DEADHO C[C@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)N1 ZINC000168773854 355977741 /nfs/dbraw/zinc/97/77/41/355977741.db2.gz LUFQNFIBQMOZPY-HOTGVXAUSA-N 1 3 315.461 2.107 20 0 DEADHO CCN(CCNC(=O)NCC[C@@H](C)[NH+]1CCCCC1)C1CC1 ZINC000185035987 356200510 /nfs/dbraw/zinc/20/05/10/356200510.db2.gz BSMCJDRYDRPHFM-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO CCS(=O)(=O)C[C@H](C)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000246047814 356311956 /nfs/dbraw/zinc/31/19/56/356311956.db2.gz PCAHKNQJIRTGJH-OAGGEKHMSA-N 1 3 318.527 2.157 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCN1Cc1ccccc1)[C@@H](C)[NH3+] ZINC000399388535 283152451 /nfs/dbraw/zinc/15/24/51/283152451.db2.gz RLGWUQSTOBHRSK-NJAFHUGGSA-N 1 3 317.477 2.387 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H](C)N(C)Cc1ccccc1)[C@H](C)[NH3+] ZINC000399387850 283152531 /nfs/dbraw/zinc/15/25/31/283152531.db2.gz REJCLVXLMCBYGN-ZOBUZTSGSA-N 1 3 305.466 2.243 20 0 DEADHO O=C(CC[C@@H]1CCC[NH2+]C1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000302922180 356392612 /nfs/dbraw/zinc/39/26/12/356392612.db2.gz PITCHGYDSIXEPW-WMZOPIPTSA-N 1 3 315.461 2.157 20 0 DEADHO O[C@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)COc1ccccc1Cl ZINC000314551627 356417738 /nfs/dbraw/zinc/41/77/38/356417738.db2.gz KOPFYTLPBBABAJ-UKRRQHHQSA-N 1 3 324.852 2.154 20 0 DEADHO O[C@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)COc1ccccc1Cl ZINC000314551627 356417739 /nfs/dbraw/zinc/41/77/39/356417739.db2.gz KOPFYTLPBBABAJ-UKRRQHHQSA-N 1 3 324.852 2.154 20 0 DEADHO O[C@H](CNC[C@H]1CC[N@H+](C2CC2)C1)COc1ccccc1Cl ZINC000314551627 356417741 /nfs/dbraw/zinc/41/77/41/356417741.db2.gz KOPFYTLPBBABAJ-UKRRQHHQSA-N 1 3 324.852 2.154 20 0 DEADHO C[NH2+]CC1CCN(Cc2cc3c(cc2OC)C[C@H](C)O3)CC1 ZINC000316804598 356430521 /nfs/dbraw/zinc/43/05/21/356430521.db2.gz DFPRUMYRYUSXPF-ZDUSSCGKSA-N 1 3 304.434 2.450 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@@H]1CCCCN1CC ZINC000357815566 535306599 /nfs/dbraw/zinc/30/65/99/535306599.db2.gz YIYJRJSKXBCESP-CVEARBPZSA-N 1 3 312.502 2.280 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@@H]1CCCCN1CC ZINC000357815566 535306605 /nfs/dbraw/zinc/30/66/05/535306605.db2.gz YIYJRJSKXBCESP-CVEARBPZSA-N 1 3 312.502 2.280 20 0 DEADHO CN(C)CCOc1ccccc1-c1noc([C@H]2CC[N@H+](C)C2)n1 ZINC000350043481 356501235 /nfs/dbraw/zinc/50/12/35/356501235.db2.gz BLSZOMLVPOKJOA-ZDUSSCGKSA-N 1 3 316.405 2.096 20 0 DEADHO CN(C)CCOc1ccccc1-c1noc([C@H]2CC[N@@H+](C)C2)n1 ZINC000350043481 356501240 /nfs/dbraw/zinc/50/12/40/356501240.db2.gz BLSZOMLVPOKJOA-ZDUSSCGKSA-N 1 3 316.405 2.096 20 0 DEADHO CCC[C@H](N)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000236886816 202053405 /nfs/dbraw/zinc/05/34/05/202053405.db2.gz CPQKQELBTVCFLT-KRWDZBQOSA-N 1 3 303.450 2.416 20 0 DEADHO CCC[C@@H](N)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000236892540 202056837 /nfs/dbraw/zinc/05/68/37/202056837.db2.gz NXKDPBISCPVSJC-DLBZAZTESA-N 1 3 303.450 2.094 20 0 DEADHO CCC[C@@H](N)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000236892540 202056841 /nfs/dbraw/zinc/05/68/41/202056841.db2.gz NXKDPBISCPVSJC-DLBZAZTESA-N 1 3 303.450 2.094 20 0 DEADHO Fc1cccc(CN2CCN(CC[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000420354852 283192629 /nfs/dbraw/zinc/19/26/29/283192629.db2.gz DPOSWNJTVYJGDK-MRXNPFEDSA-N 1 3 305.441 2.333 20 0 DEADHO CN(C)C[C@H](NC(=O)CCC1CC[NH2+]CC1)c1ccccc1 ZINC000237029620 202128895 /nfs/dbraw/zinc/12/88/95/202128895.db2.gz ZHKUFVPJPRCAJN-KRWDZBQOSA-N 1 3 303.450 2.185 20 0 DEADHO C[C@H](C[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)CN(C)C ZINC000381886096 356673091 /nfs/dbraw/zinc/67/30/91/356673091.db2.gz QFRVBVRHAOYQPA-KFWWJZLASA-N 1 3 313.486 2.467 20 0 DEADHO C[N@H+](CCCNC(=O)[C@H](N)Cc1ccccc1)C1CCCCC1 ZINC000237071728 202142790 /nfs/dbraw/zinc/14/27/90/202142790.db2.gz SLYMLUMRKMGYLN-GOSISDBHSA-N 1 3 317.477 2.327 20 0 DEADHO C[N@@H+](CCCNC(=O)[C@H](N)Cc1ccccc1)C1CCCCC1 ZINC000237071728 202142791 /nfs/dbraw/zinc/14/27/91/202142791.db2.gz SLYMLUMRKMGYLN-GOSISDBHSA-N 1 3 317.477 2.327 20 0 DEADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000382755247 356677713 /nfs/dbraw/zinc/67/77/13/356677713.db2.gz GWPJPHCIOJYTAK-JYJNAYRXSA-N 1 3 303.450 2.093 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)CC[NH2+]C2CC2)CCN1Cc1ccccc1 ZINC000379670602 356668214 /nfs/dbraw/zinc/66/82/14/356668214.db2.gz JBPMMFAHASYCHI-YJBOKZPZSA-N 1 3 315.461 2.298 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425665710 283211339 /nfs/dbraw/zinc/21/13/39/283211339.db2.gz TUPMBHZXXGMUSN-DLBZAZTESA-N 1 3 324.513 2.234 20 0 DEADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000387403934 356703847 /nfs/dbraw/zinc/70/38/47/356703847.db2.gz BEFSVLLKEDWZAS-HZPDHXFCSA-N 1 3 305.466 2.430 20 0 DEADHO C[NH2+]CCc1ccccc1C(=O)N1CCCN(C(C)C)CC1 ZINC000578511310 356829300 /nfs/dbraw/zinc/82/93/00/356829300.db2.gz NLEXFZJJOSUQLS-UHFFFAOYSA-N 1 3 303.450 2.005 20 0 DEADHO C[NH+]1CCC(CCNC(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000578861665 356883160 /nfs/dbraw/zinc/88/31/60/356883160.db2.gz ZIMRAQQZVIKZTC-UHFFFAOYSA-N 1 3 302.422 2.143 20 0 DEADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000578872384 356885004 /nfs/dbraw/zinc/88/50/04/356885004.db2.gz OELWPOZHVKWOSH-HOTGVXAUSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000578872384 356885005 /nfs/dbraw/zinc/88/50/05/356885005.db2.gz OELWPOZHVKWOSH-HOTGVXAUSA-N 1 3 309.498 2.440 20 0 DEADHO CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000579228036 356942008 /nfs/dbraw/zinc/94/20/08/356942008.db2.gz TUPYQHQZGZRYHG-ZBFHGGJFSA-N 1 3 303.450 2.171 20 0 DEADHO CC[N@H+]1CC[C@H](CNC(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000579228036 356942011 /nfs/dbraw/zinc/94/20/11/356942011.db2.gz TUPYQHQZGZRYHG-ZBFHGGJFSA-N 1 3 303.450 2.171 20 0 DEADHO C[C@H](Cn1ccnc1)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000579580566 356997425 /nfs/dbraw/zinc/99/74/25/356997425.db2.gz AOMUSDHDXYXJBH-UWWQBHOKSA-N 1 3 312.417 2.117 20 0 DEADHO C[C@H](CNCCC(=O)Nc1cccc(F)c1)C[NH+]1CCCC1 ZINC000579703408 357017121 /nfs/dbraw/zinc/01/71/21/357017121.db2.gz KVQSAAIBBPRXJM-CQSZACIVSA-N 1 3 307.413 2.476 20 0 DEADHO C[C@H](C[NH2+]CCC(=O)Nc1cccc(F)c1)CN1CCCC1 ZINC000579703408 357017125 /nfs/dbraw/zinc/01/71/25/357017125.db2.gz KVQSAAIBBPRXJM-CQSZACIVSA-N 1 3 307.413 2.476 20 0 DEADHO CC(C)N1CC[C@H](C[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000580766361 357077638 /nfs/dbraw/zinc/07/76/38/357077638.db2.gz BIENOIUWXSPBTR-CQSZACIVSA-N 1 3 308.495 2.432 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C[C@H](N)Cc1ccccc1 ZINC000580830996 357086560 /nfs/dbraw/zinc/08/65/60/357086560.db2.gz XJYKBDALVOAMID-FUHWJXTLSA-N 1 3 317.477 2.327 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)C[C@H](N)Cc1ccccc1 ZINC000580830996 357086564 /nfs/dbraw/zinc/08/65/64/357086564.db2.gz XJYKBDALVOAMID-FUHWJXTLSA-N 1 3 317.477 2.327 20 0 DEADHO Cc1ccc(NC(=O)CC[NH2+]C2CC2)c(OCCN(C)C)c1 ZINC000581261500 357159077 /nfs/dbraw/zinc/15/90/77/357159077.db2.gz QPKLOWNUIFRBHU-UHFFFAOYSA-N 1 3 305.422 2.016 20 0 DEADHO Cn1nccc1N1CCC[C@H]([NH2+][C@@H]2C[C@@H](N)c3ccccc32)C1 ZINC000581601921 357213464 /nfs/dbraw/zinc/21/34/64/357213464.db2.gz ZSDYODYWDQFEKK-IAOVAPTHSA-N 1 3 311.433 2.123 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCCC[NH+](C)C ZINC000589743554 357493860 /nfs/dbraw/zinc/49/38/60/357493860.db2.gz OGZJDFPSKZAAER-UHFFFAOYSA-N 1 3 320.481 2.231 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000590811262 357617770 /nfs/dbraw/zinc/61/77/70/357617770.db2.gz IAWXYHLPDRBRMP-QGZVFWFLSA-N 1 3 303.450 2.351 20 0 DEADHO COC(=O)c1coc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000592433621 357876416 /nfs/dbraw/zinc/87/64/16/357876416.db2.gz MLIQGDUYKLUWEB-KBPBESRZSA-N 1 3 306.406 2.278 20 0 DEADHO Cc1nccn1CCCC[NH2+]Cc1ccnn1-c1ccncc1 ZINC000657374876 540305356 /nfs/dbraw/zinc/30/53/56/540305356.db2.gz UCSJKRGQFGRXMA-UHFFFAOYSA-N 1 3 310.405 2.342 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000660838694 540313037 /nfs/dbraw/zinc/31/30/37/540313037.db2.gz KRPUZDCASOVHSW-PMPSAXMXSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000660838694 540313040 /nfs/dbraw/zinc/31/30/40/540313040.db2.gz KRPUZDCASOVHSW-PMPSAXMXSA-N 1 3 324.513 2.279 20 0 DEADHO Cn1c(CN[C@@H]2CC23CC[NH2+]CC3)nc2cc(Cl)ccc21 ZINC000666952017 540368996 /nfs/dbraw/zinc/36/89/96/540368996.db2.gz BZGMXFVWXJXJTI-CQSZACIVSA-N 1 3 304.825 2.458 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H](F)CN2)CCN1Cc1ccccc1 ZINC000666946928 540368475 /nfs/dbraw/zinc/36/84/75/540368475.db2.gz SUHXXXWSSVVCJQ-UBDQQSCGSA-N 1 3 305.441 2.329 20 0 DEADHO C[C@H](CC(=O)N1CCCCCC1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995155 540377442 /nfs/dbraw/zinc/37/74/42/540377442.db2.gz DYYYWDACFRTPTF-CVEARBPZSA-N 1 3 307.482 2.432 20 0 DEADHO C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995155 540377444 /nfs/dbraw/zinc/37/74/44/540377444.db2.gz DYYYWDACFRTPTF-CVEARBPZSA-N 1 3 307.482 2.432 20 0 DEADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3cnc4ccccn34)CC2)C1 ZINC000667054060 540387378 /nfs/dbraw/zinc/38/73/78/540387378.db2.gz BZAFGAKJUUCATF-RDJZCZTQSA-N 1 3 314.433 2.053 20 0 DEADHO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000276651230 213023255 /nfs/dbraw/zinc/02/32/55/213023255.db2.gz PXCAFALTXZVVRB-XYJFISCASA-N 1 3 317.477 2.353 20 0 DEADHO COC(=O)c1cc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)c[nH]1 ZINC000594735204 358328914 /nfs/dbraw/zinc/32/89/14/358328914.db2.gz HRUUMPIZQOXGCC-OAHLLOKOSA-N 1 3 305.422 2.013 20 0 DEADHO C[N@H+](CCCNC[C@@H]1CNc2ccnn2C1)C1CCCCC1 ZINC000595142250 358394250 /nfs/dbraw/zinc/39/42/50/358394250.db2.gz PVZCTMFSHSTMJG-OAHLLOKOSA-N 1 3 305.470 2.169 20 0 DEADHO C[N@@H+](CCCNC[C@@H]1CNc2ccnn2C1)C1CCCCC1 ZINC000595142250 358394254 /nfs/dbraw/zinc/39/42/54/358394254.db2.gz PVZCTMFSHSTMJG-OAHLLOKOSA-N 1 3 305.470 2.169 20 0 DEADHO CN(CCC[NH2+]C[C@@H]1CNc2ccnn2C1)C1CCCCC1 ZINC000595142250 358394259 /nfs/dbraw/zinc/39/42/59/358394259.db2.gz PVZCTMFSHSTMJG-OAHLLOKOSA-N 1 3 305.470 2.169 20 0 DEADHO O=C1O[C@]2(CN1CN1CCC[C@H]1C1CCC1)C[NH+]1CCC2CC1 ZINC000496213829 283383584 /nfs/dbraw/zinc/38/35/84/283383584.db2.gz FHOYWYJMWLJWLH-WMZOPIPTSA-N 1 3 319.449 2.125 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCC3(C)C)CC2)CC1 ZINC000667642081 540494611 /nfs/dbraw/zinc/49/46/11/540494611.db2.gz NXKRNIAPOBJWSM-MRXNPFEDSA-N 1 3 307.482 2.097 20 0 DEADHO C[N@@H+]1C[C@@H](CN[C@H]2CO[C@@H](C3CC3)C2)[C@H](c2ccccc2)C1 ZINC000668276497 540633763 /nfs/dbraw/zinc/63/37/63/540633763.db2.gz OPQWFNOCJLMCSI-AKHDSKFASA-N 1 3 300.446 2.489 20 0 DEADHO C[N@H+]1C[C@@H](CN[C@H]2CO[C@@H](C3CC3)C2)[C@H](c2ccccc2)C1 ZINC000668276497 540633766 /nfs/dbraw/zinc/63/37/66/540633766.db2.gz OPQWFNOCJLMCSI-AKHDSKFASA-N 1 3 300.446 2.489 20 0 DEADHO C[N@@H+]1C[C@@H](CN[C@@H]2CO[C@H](C3CC3)C2)[C@H](c2ccccc2)C1 ZINC000668276498 540634032 /nfs/dbraw/zinc/63/40/32/540634032.db2.gz OPQWFNOCJLMCSI-XWSJACJDSA-N 1 3 300.446 2.489 20 0 DEADHO C[N@H+]1C[C@@H](CN[C@@H]2CO[C@H](C3CC3)C2)[C@H](c2ccccc2)C1 ZINC000668276498 540634036 /nfs/dbraw/zinc/63/40/36/540634036.db2.gz OPQWFNOCJLMCSI-XWSJACJDSA-N 1 3 300.446 2.489 20 0 DEADHO C[C@@H](CNC(=O)C1([NH3+])CCCCC1)N(C)Cc1ccccc1 ZINC000237524057 202270518 /nfs/dbraw/zinc/27/05/18/202270518.db2.gz XPJHFSAAPBYHLT-HNNXBMFYSA-N 1 3 303.450 2.285 20 0 DEADHO N[C@H](CC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000237843602 202369350 /nfs/dbraw/zinc/36/93/50/202369350.db2.gz NUALLFHNSWGAOM-SJLPKXTDSA-N 1 3 315.461 2.411 20 0 DEADHO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000237940807 202398102 /nfs/dbraw/zinc/39/81/02/202398102.db2.gz YADNVTTZOPABNW-RRFJBIMHSA-N 1 3 321.490 2.204 20 0 DEADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000601213771 359968019 /nfs/dbraw/zinc/96/80/19/359968019.db2.gz KQFPKRBVDJCUOB-INIZCTEOSA-N 1 3 324.513 2.423 20 0 DEADHO CCN(C)C(=O)[C@@H](C)N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000189397909 200393863 /nfs/dbraw/zinc/39/38/63/200393863.db2.gz YDCSQVFFNKKTNA-LSDHHAIUSA-N 1 3 321.465 2.144 20 0 DEADHO C[C@@H](C[NH+]1CCC(N2CC[C@H](O)C2)CC1)c1ccc(F)cc1 ZINC000668739165 540722526 /nfs/dbraw/zinc/72/25/26/540722526.db2.gz JROJPVIATXVSJV-KSSFIOAISA-N 1 3 306.425 2.460 20 0 DEADHO O[C@H]1CCN(C2CC[NH+](Cc3cccc4c3CCC4)CC2)C1 ZINC000668740246 540723199 /nfs/dbraw/zinc/72/31/99/540723199.db2.gz SCDHPSARCKNMQS-SFHVURJKSA-N 1 3 300.446 2.206 20 0 DEADHO C[C@H](C(=O)NCCN1CCCC(C)(C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000444624073 238212676 /nfs/dbraw/zinc/21/26/76/238212676.db2.gz VROCBFYDVSFXJP-BZUAXINKSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@@H]1CN(C(=O)NCCN2[C@H](C)CCC[C@H]2C)CC[C@@H]1[NH3+] ZINC000669469295 540838914 /nfs/dbraw/zinc/83/89/14/540838914.db2.gz WJBGUIOKWKDPKD-FPCVCCKLSA-N 1 3 310.486 2.018 20 0 DEADHO O=C(c1ccc2c(c1)CNC2)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669519430 540850965 /nfs/dbraw/zinc/85/09/65/540850965.db2.gz ARSGSQWLYAYCAQ-NVXWUHKLSA-N 1 3 313.445 2.142 20 0 DEADHO NC[C@@H]1CCC[C@H]1[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000521423865 283623993 /nfs/dbraw/zinc/62/39/93/283623993.db2.gz ZJSJKZGXVNGDLW-WMLDXEAASA-N 1 3 322.497 2.210 20 0 DEADHO C[C@@H]([NH3+])CCC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000193301625 201024383 /nfs/dbraw/zinc/02/43/83/201024383.db2.gz RKSIORQSWLVICX-NVXWUHKLSA-N 1 3 303.450 2.237 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CCC[NH2+]C1)c1ccsc1 ZINC000195156004 201348777 /nfs/dbraw/zinc/34/87/77/201348777.db2.gz YJMYPXWKUFLPBO-HIFRSBDPSA-N 1 3 309.479 2.247 20 0 DEADHO CCCN1CC[C@@H](NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000619904561 363903166 /nfs/dbraw/zinc/90/31/66/363903166.db2.gz NRHNTVRWNGRLST-ZWKOTPCHSA-N 1 3 315.461 2.109 20 0 DEADHO CCCN1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000619904561 363903171 /nfs/dbraw/zinc/90/31/71/363903171.db2.gz NRHNTVRWNGRLST-ZWKOTPCHSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)N1CCCCCC1 ZINC000621105466 364257892 /nfs/dbraw/zinc/25/78/92/364257892.db2.gz RWNQHTIROBRSOD-FUHWJXTLSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)N1CCCCCC1 ZINC000621105466 364257898 /nfs/dbraw/zinc/25/78/98/364257898.db2.gz RWNQHTIROBRSOD-FUHWJXTLSA-N 1 3 321.509 2.489 20 0 DEADHO FC(F)CN1CCC[C@@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000628422049 366846149 /nfs/dbraw/zinc/84/61/49/366846149.db2.gz KKXXGLYNBFUULM-MRXNPFEDSA-N 1 3 324.419 2.370 20 0 DEADHO FC(F)CN1CCC[C@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000628422048 366846385 /nfs/dbraw/zinc/84/63/85/366846385.db2.gz KKXXGLYNBFUULM-INIZCTEOSA-N 1 3 324.419 2.370 20 0 DEADHO CN(C)Cc1cccc(CNC(=O)CC[C@@H]2CCC[NH2+]C2)c1 ZINC000621641550 364485701 /nfs/dbraw/zinc/48/57/01/364485701.db2.gz NZZDBWXDAXZTLI-HNNXBMFYSA-N 1 3 303.450 2.144 20 0 DEADHO N[C@@]12CCC[C@H]1C[N@H+](CCC(=O)NCc1ccccc1Cl)C2 ZINC000621780335 364543490 /nfs/dbraw/zinc/54/34/90/364543490.db2.gz QTBYRAARXBJQBY-WMLDXEAASA-N 1 3 321.852 2.160 20 0 DEADHO N[C@@]12CCC[C@H]1C[N@@H+](CCC(=O)NCc1ccccc1Cl)C2 ZINC000621780335 364543496 /nfs/dbraw/zinc/54/34/96/364543496.db2.gz QTBYRAARXBJQBY-WMLDXEAASA-N 1 3 321.852 2.160 20 0 DEADHO O=C(CC[C@@H]1CC[NH2+]C1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000261820066 283791368 /nfs/dbraw/zinc/79/13/68/283791368.db2.gz HZVOYKTUNFPBJM-CABCVRRESA-N 1 3 321.490 2.391 20 0 DEADHO CC[C@@H]1CN(C(=O)Nc2cccc(CN(C)C)c2)CC[C@@H]1[NH3+] ZINC000623059083 364870883 /nfs/dbraw/zinc/87/08/83/364870883.db2.gz PZXVNEPMXVMJON-ZBFHGGJFSA-N 1 3 304.438 2.339 20 0 DEADHO C[C@@H](NC1CC1)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000449129243 240090895 /nfs/dbraw/zinc/09/08/95/240090895.db2.gz URMSVBQRNBEFFV-CABCVRRESA-N 1 3 315.461 2.469 20 0 DEADHO Cc1cc(C[NH2+]C[C@@H]2CCCCN(C)C2)ccc1-n1cncn1 ZINC000623656614 365118751 /nfs/dbraw/zinc/11/87/51/365118751.db2.gz YLTKXHZVCTZZDX-KRWDZBQOSA-N 1 3 313.449 2.397 20 0 DEADHO C[N@@H+]1CCCC[C@H](CNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000623949422 365230715 /nfs/dbraw/zinc/23/07/15/365230715.db2.gz RHENLJCGTXYXMM-NVXWUHKLSA-N 1 3 322.497 2.034 20 0 DEADHO C[N@H+]1CCCC[C@H](CNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000623949422 365230722 /nfs/dbraw/zinc/23/07/22/365230722.db2.gz RHENLJCGTXYXMM-NVXWUHKLSA-N 1 3 322.497 2.034 20 0 DEADHO C[N@@H+]1CCC[C@H](CCNC(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000624194526 365328556 /nfs/dbraw/zinc/32/85/56/365328556.db2.gz JZOGGAAOLWNOAY-NVXWUHKLSA-N 1 3 322.497 2.034 20 0 DEADHO C[N@H+]1CCC[C@H](CCNC(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000624194526 365328559 /nfs/dbraw/zinc/32/85/59/365328559.db2.gz JZOGGAAOLWNOAY-NVXWUHKLSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000624123969 365297847 /nfs/dbraw/zinc/29/78/47/365297847.db2.gz VBNOTNQBAKLJCW-ZIAGYGMSSA-N 1 3 317.433 2.400 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000624380692 365403457 /nfs/dbraw/zinc/40/34/57/365403457.db2.gz OYRHAPYVMCSHDB-NVXWUHKLSA-N 1 3 322.497 2.177 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000624380692 365403465 /nfs/dbraw/zinc/40/34/65/365403465.db2.gz OYRHAPYVMCSHDB-NVXWUHKLSA-N 1 3 322.497 2.177 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2C[C@H](C)C[C@H](O)C2)CC1 ZINC000449770573 241056663 /nfs/dbraw/zinc/05/66/63/241056663.db2.gz WZZIPVDCAYNNQE-AEFFLSMTSA-N 1 3 317.477 2.031 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2C[C@H](C)C[C@H](O)C2)CC1 ZINC000449770573 241056676 /nfs/dbraw/zinc/05/66/76/241056676.db2.gz WZZIPVDCAYNNQE-AEFFLSMTSA-N 1 3 317.477 2.031 20 0 DEADHO c1c(CN[C@@H]2CCC[C@H]2c2ccccc2)nnn1[C@@H]1CC[NH2+]C1 ZINC000629404513 367191400 /nfs/dbraw/zinc/19/14/00/367191400.db2.gz GBURTXUJTZBGRT-FGTMMUONSA-N 1 3 311.433 2.238 20 0 DEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H]1CCCN1CC(F)F ZINC000629520266 367232168 /nfs/dbraw/zinc/23/21/68/367232168.db2.gz VJZWOHCHSZBEOF-IMJJTQAJSA-N 1 3 311.420 2.264 20 0 DEADHO CCc1nc(C(C)C)ccc1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000629537347 367240698 /nfs/dbraw/zinc/24/06/98/367240698.db2.gz PVHMCQKTHCYYEI-QGZVFWFLSA-N 1 3 316.493 2.247 20 0 DEADHO Cc1nccn1CCCN1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629562520 367252709 /nfs/dbraw/zinc/25/27/09/367252709.db2.gz NTHOYFXPRMVSNK-QWHCGFSZSA-N 1 3 304.360 2.041 20 0 DEADHO Cc1nccn1CCCN1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629562511 367253547 /nfs/dbraw/zinc/25/35/47/367253547.db2.gz NTHOYFXPRMVSNK-CHWSQXEVSA-N 1 3 304.360 2.041 20 0 DEADHO Cc1cccc2c(CCNC[C@H](O)C[NH+]3CCCC3)c[nH]c21 ZINC000629567121 367254897 /nfs/dbraw/zinc/25/48/97/367254897.db2.gz WEVJUCKQRAUEKK-INIZCTEOSA-N 1 3 301.434 2.065 20 0 DEADHO C[C@H](C[NH2+]C[C@@H](O)CN1CCCC1)Oc1ccccc1Cl ZINC000629565936 367255148 /nfs/dbraw/zinc/25/51/48/367255148.db2.gz QUIAEAFGPXLGCH-ZIAGYGMSSA-N 1 3 312.841 2.154 20 0 DEADHO COc1ccc2c(c1)CCC[C@H]2CNC[C@@H](O)C[NH+]1CCCC1 ZINC000629574105 367257193 /nfs/dbraw/zinc/25/71/93/367257193.db2.gz LQWYNIVJYHFQKH-DLBZAZTESA-N 1 3 318.461 2.161 20 0 DEADHO Cn1ccc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)c1 ZINC000629648850 367285966 /nfs/dbraw/zinc/28/59/66/367285966.db2.gz ZAFNPJQVEIXKMT-UHFFFAOYSA-N 1 3 312.461 2.108 20 0 DEADHO CN(C)CCn1cc(-c2cccc(OCC[NH+](C)C)c2)cn1 ZINC000629701757 367307148 /nfs/dbraw/zinc/30/71/48/367307148.db2.gz ZPGQOJAXSJQGGK-UHFFFAOYSA-N 1 3 302.422 2.052 20 0 DEADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)Cc1ccccc1 ZINC000629959648 367399648 /nfs/dbraw/zinc/39/96/48/367399648.db2.gz HRSIIOIPGHPTKE-OAHLLOKOSA-N 1 3 303.450 2.107 20 0 DEADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)Cc1ccccc1 ZINC000629959648 367399655 /nfs/dbraw/zinc/39/96/55/367399655.db2.gz HRSIIOIPGHPTKE-OAHLLOKOSA-N 1 3 303.450 2.107 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc(C)o1 ZINC000677138681 541546810 /nfs/dbraw/zinc/54/68/10/541546810.db2.gz AVQVAIXIJBBLEO-INIZCTEOSA-N 1 3 321.465 2.005 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc(C)o1 ZINC000677138681 541546813 /nfs/dbraw/zinc/54/68/13/541546813.db2.gz AVQVAIXIJBBLEO-INIZCTEOSA-N 1 3 321.465 2.005 20 0 DEADHO O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@H](N2CCCC2)C1 ZINC000363597048 296123008 /nfs/dbraw/zinc/12/30/08/296123008.db2.gz JSRFTLDCGSLIAN-WMZOPIPTSA-N 1 3 319.493 2.338 20 0 DEADHO O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CC[C@H](N2CCCC2)C1 ZINC000363597048 296123010 /nfs/dbraw/zinc/12/30/10/296123010.db2.gz JSRFTLDCGSLIAN-WMZOPIPTSA-N 1 3 319.493 2.338 20 0 DEADHO C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)C(C)(C)c1ccccc1 ZINC000415085400 296129082 /nfs/dbraw/zinc/12/90/82/296129082.db2.gz QETKOJMIOZBTBC-CVEARBPZSA-N 1 3 317.477 2.140 20 0 DEADHO CC[C@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H]1O ZINC000678342200 541715783 /nfs/dbraw/zinc/71/57/83/541715783.db2.gz ODJLTXAUDXLJSD-PKOBYXMFSA-N 1 3 318.461 2.364 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(C)nc2C)CC1 ZINC000678412436 541725767 /nfs/dbraw/zinc/72/57/67/541725767.db2.gz WNEHDYVFDLGLFZ-INIZCTEOSA-N 1 3 304.482 2.377 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])N(C)C)cc1 ZINC000261739160 203107189 /nfs/dbraw/zinc/10/71/89/203107189.db2.gz LQRMJFMQXGQKQW-KURKYZTESA-N 1 3 317.477 2.343 20 0 DEADHO Cc1ccc([C@H](C)NCCN2CCC([NH+](C)C)CC2)c(C)n1 ZINC000678429434 541727663 /nfs/dbraw/zinc/72/76/63/541727663.db2.gz WLTOPYVPXKEHGS-HNNXBMFYSA-N 1 3 304.482 2.375 20 0 DEADHO O=C(CC[C@@H]1CC[NH2+]C1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000261922707 203153638 /nfs/dbraw/zinc/15/36/38/203153638.db2.gz XUHGOGAFPLQPCY-SJLPKXTDSA-N 1 3 315.461 2.157 20 0 DEADHO C[C@@H](C[NH3+])C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000262024090 203176507 /nfs/dbraw/zinc/17/65/07/203176507.db2.gz ASIPATCPRRSMCX-DOTOQJQBSA-N 1 3 303.450 2.171 20 0 DEADHO CC(C)[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)C(=O)N1CCCC1 ZINC000678587671 541748094 /nfs/dbraw/zinc/74/80/94/541748094.db2.gz HPUWCOOIEMUKQZ-INIZCTEOSA-N 1 3 309.498 2.486 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000262290884 203251297 /nfs/dbraw/zinc/25/12/97/203251297.db2.gz NFVNZNRNVACVGP-YESZJQIVSA-N 1 3 303.450 2.313 20 0 DEADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC[NH2+]1 ZINC000262307768 203255985 /nfs/dbraw/zinc/25/59/85/203255985.db2.gz AYZRNOSMNDFPPY-RYQLBKOJSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H](C(=O)N[C@@H](C[NH3+])C1CCCCC1)[C@@H](N)c1ccccc1 ZINC000262600820 203345746 /nfs/dbraw/zinc/34/57/46/203345746.db2.gz PCOWWZHOPODVCR-RRQGHBQHSA-N 1 3 303.450 2.346 20 0 DEADHO CCC[C@@](C)(N)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000262676393 203378361 /nfs/dbraw/zinc/37/83/61/203378361.db2.gz SBGSNOOPSNYSMR-GOSISDBHSA-N 1 3 303.450 2.416 20 0 DEADHO C[C@H]([NH2+]C[C@@]1(O)CCSC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274979711 212055643 /nfs/dbraw/zinc/05/56/43/212055643.db2.gz ZARUDFHVHIKKTM-SZMVWBNQSA-N 1 3 320.502 2.355 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCc1cnc2c(Cl)cnn2c1 ZINC000453227209 245004165 /nfs/dbraw/zinc/00/41/65/245004165.db2.gz XUCNLMFRKZFWDZ-XUJVJEKNSA-N 1 3 321.856 2.244 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCc1cnc2c(Cl)cnn2c1 ZINC000453227209 245004175 /nfs/dbraw/zinc/00/41/75/245004175.db2.gz XUCNLMFRKZFWDZ-XUJVJEKNSA-N 1 3 321.856 2.244 20 0 DEADHO CCN(CC)CC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000264851754 204209471 /nfs/dbraw/zinc/20/94/71/204209471.db2.gz BYOQLOWXLOGHAJ-UHFFFAOYSA-N 1 3 307.438 2.044 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC000433361004 284347326 /nfs/dbraw/zinc/34/73/26/284347326.db2.gz GYZOCQOIZLIDTQ-HNNXBMFYSA-N 1 3 303.450 2.162 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC000433361004 284347327 /nfs/dbraw/zinc/34/73/27/284347327.db2.gz GYZOCQOIZLIDTQ-HNNXBMFYSA-N 1 3 303.450 2.162 20 0 DEADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001088860695 781961239 /nfs/dbraw/zinc/96/12/39/781961239.db2.gz XUCHNMDUVMPZST-JKIFEVAISA-N 1 3 313.461 2.188 20 0 DEADHO CCC[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001088860695 781961244 /nfs/dbraw/zinc/96/12/44/781961244.db2.gz XUCHNMDUVMPZST-JKIFEVAISA-N 1 3 313.461 2.188 20 0 DEADHO Cc1nc(C)c(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)s1 ZINC000530239407 284383162 /nfs/dbraw/zinc/38/31/62/284383162.db2.gz FOHRAYRPGBQDNU-OAHLLOKOSA-N 1 3 309.479 2.350 20 0 DEADHO CC(C)[N@H+](C)CC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000282998136 217377007 /nfs/dbraw/zinc/37/70/07/217377007.db2.gz QWEGQFIDDJVJAF-OAHLLOKOSA-N 1 3 311.857 2.399 20 0 DEADHO CC(C)[N@@H+](C)CC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000282998136 217377011 /nfs/dbraw/zinc/37/70/11/217377011.db2.gz QWEGQFIDDJVJAF-OAHLLOKOSA-N 1 3 311.857 2.399 20 0 DEADHO CC(C)N1CC[C@@H](N(C)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000457900206 248066188 /nfs/dbraw/zinc/06/61/88/248066188.db2.gz CBNWSXNCVSKGCG-IAGOWNOFSA-N 1 3 324.513 2.233 20 0 DEADHO C[NH2+]CCC1CCN(CCCn2c3ccccc3[nH]c2=O)CC1 ZINC000320700554 291705786 /nfs/dbraw/zinc/70/57/86/291705786.db2.gz PNXDUNKLLLNUIK-UHFFFAOYSA-N 1 3 316.449 2.041 20 0 DEADHO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000268988876 207146555 /nfs/dbraw/zinc/14/65/55/207146555.db2.gz MBYCPDHQPAMNAY-DYVFJYSZSA-N 1 3 306.425 2.495 20 0 DEADHO CC[C@@H](CN1CCCC1)NC(=O)N(CC)CCC[NH+]1CCCC1 ZINC000682660718 542336481 /nfs/dbraw/zinc/33/64/81/542336481.db2.gz DZRSRIIBRIDSDN-KRWDZBQOSA-N 1 3 324.513 2.378 20 0 DEADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1cn2ccccc2n1 ZINC000422819984 532977214 /nfs/dbraw/zinc/97/72/14/532977214.db2.gz OREWYUHEMHPGQU-CRAIPNDOSA-N 1 3 308.429 2.425 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]C2CCN(C3CC3)CC2)[C@H](C)C1 ZINC000119670027 195012887 /nfs/dbraw/zinc/01/28/87/195012887.db2.gz YWQKQARDVYWPRJ-APWZRJJASA-N 1 3 323.525 2.340 20 0 DEADHO CSc1ccc([C@H](CNC(=O)NC(C)(C)C[NH3+])N(C)C)cc1 ZINC000418234032 533005101 /nfs/dbraw/zinc/00/51/01/533005101.db2.gz POTYEUVPFLSBNL-AWEZNQCLSA-N 1 3 324.494 2.048 20 0 DEADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H](N)CC(F)F ZINC000423749903 285099074 /nfs/dbraw/zinc/09/90/74/285099074.db2.gz WIZGERIMCBEWAQ-CQSZACIVSA-N 1 3 313.392 2.079 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000157219618 197170967 /nfs/dbraw/zinc/17/09/67/197170967.db2.gz ILJFELZQZYAISO-UHFFFAOYSA-N 1 3 312.502 2.233 20 0 DEADHO COc1cc([C@H](C)N[C@@H]2CCCC[C@H]2C[NH3+])ccc1OCCO ZINC000422975064 533131060 /nfs/dbraw/zinc/13/10/60/533131060.db2.gz SEZONUKRBBRKDY-CWRNSKLLSA-N 1 3 322.449 2.234 20 0 DEADHO C[C@H]([NH2+]CCCN1CCCC1=O)[C@@H]1CCCN(C2CCC2)C1 ZINC000542531975 285232426 /nfs/dbraw/zinc/23/24/26/285232426.db2.gz MZBWQUXYDKFORA-JKSUJKDBSA-N 1 3 307.482 2.242 20 0 DEADHO COc1ccc([C@H](CN[C@@H](C)C[C@H](C)[NH3+])N(C)C)cc1OC ZINC000422984418 533184400 /nfs/dbraw/zinc/18/44/00/533184400.db2.gz AUZGMUJSYBBZCC-YDHLFZDLSA-N 1 3 309.454 2.022 20 0 DEADHO C[C@@H](NC(=O)NC[C@@H]1CCCCN1C1CC1)C1CC[NH+](C)CC1 ZINC000683386483 542440199 /nfs/dbraw/zinc/44/01/99/542440199.db2.gz OADJBWOLESWRJF-PBHICJAKSA-N 1 3 322.497 2.033 20 0 DEADHO CN(CCC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccncc1 ZINC000542784195 285250174 /nfs/dbraw/zinc/25/01/74/285250174.db2.gz PHSUNKYIKYIOMY-OAHLLOKOSA-N 1 3 316.449 2.041 20 0 DEADHO CN(CCC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccncc1 ZINC000542784195 285250177 /nfs/dbraw/zinc/25/01/77/285250177.db2.gz PHSUNKYIKYIOMY-OAHLLOKOSA-N 1 3 316.449 2.041 20 0 DEADHO COc1ccc([C@H](NC2CCN(C)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422786738 533192188 /nfs/dbraw/zinc/19/21/88/533192188.db2.gz QPKWVKLPJOHGHP-MSOLQXFVSA-N 1 3 303.450 2.172 20 0 DEADHO COc1ccc([C@H](NCCN2CCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422774000 533193592 /nfs/dbraw/zinc/19/35/92/533193592.db2.gz ZQIJOMNLMZYREI-MSOLQXFVSA-N 1 3 303.450 2.174 20 0 DEADHO CC[C@@H](C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)N(C)C ZINC000120441590 195167903 /nfs/dbraw/zinc/16/79/03/195167903.db2.gz GNYNDLRUHOWMJR-RDJZCZTQSA-N 1 3 305.466 2.353 20 0 DEADHO CC[C@@H](C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)N(C)C ZINC000120441590 195167905 /nfs/dbraw/zinc/16/79/05/195167905.db2.gz GNYNDLRUHOWMJR-RDJZCZTQSA-N 1 3 305.466 2.353 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC1(C)C ZINC000358490157 285278762 /nfs/dbraw/zinc/27/87/62/285278762.db2.gz YYWXTJCKYPBOPU-HOTGVXAUSA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC1(C)C ZINC000358490157 285278763 /nfs/dbraw/zinc/27/87/63/285278763.db2.gz YYWXTJCKYPBOPU-HOTGVXAUSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000289764028 221209379 /nfs/dbraw/zinc/20/93/79/221209379.db2.gz IECOJRCYFLPWCL-KBAYOESNSA-N 1 3 315.461 2.328 20 0 DEADHO CO[C@H](CN)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000290039425 221394619 /nfs/dbraw/zinc/39/46/19/221394619.db2.gz SMQQAINWXRIMRJ-QGZVFWFLSA-N 1 3 319.449 2.363 20 0 DEADHO CO[C@H](CN)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000290039425 221394620 /nfs/dbraw/zinc/39/46/20/221394620.db2.gz SMQQAINWXRIMRJ-QGZVFWFLSA-N 1 3 319.449 2.363 20 0 DEADHO C[C@@H](NC(=O)[C@H](C)NC1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295763454 533260306 /nfs/dbraw/zinc/26/03/06/533260306.db2.gz QILYPRXIGUHCQN-HLLBOEOZSA-N 1 3 315.461 2.154 20 0 DEADHO C[C@@H](NC(=O)[C@H](C)NC1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295763454 533260310 /nfs/dbraw/zinc/26/03/10/533260310.db2.gz QILYPRXIGUHCQN-HLLBOEOZSA-N 1 3 315.461 2.154 20 0 DEADHO CO[C@@H]1CCC[C@@H]([NH2+]C2CCN(C3CCN(C)CC3)CC2)C1 ZINC000684374252 542595706 /nfs/dbraw/zinc/59/57/06/542595706.db2.gz MFCPKTKKTFSIBI-SJLPKXTDSA-N 1 3 309.498 2.092 20 0 DEADHO C[N@@H+]1CC[C@H](NCCN2CCSCC2)C[C@@H]1c1ccccc1 ZINC000340235277 131241925 /nfs/dbraw/zinc/24/19/25/131241925.db2.gz JCDFLYMOFXXELJ-ZWKOTPCHSA-N 1 3 319.518 2.460 20 0 DEADHO C[N@H+]1CC[C@H](NCCN2CCSCC2)C[C@@H]1c1ccccc1 ZINC000340235277 131241926 /nfs/dbraw/zinc/24/19/26/131241926.db2.gz JCDFLYMOFXXELJ-ZWKOTPCHSA-N 1 3 319.518 2.460 20 0 DEADHO COC1(C[N@H+](C)[C@@H]2CCN(C3CCN(C)CC3)C2)CCCC1 ZINC000685457062 542727241 /nfs/dbraw/zinc/72/72/41/542727241.db2.gz ANJUIBZJUMPCMA-QGZVFWFLSA-N 1 3 309.498 2.046 20 0 DEADHO COC1(C[N@@H+](C)[C@@H]2CCN(C3CCN(C)CC3)C2)CCCC1 ZINC000685457062 542727244 /nfs/dbraw/zinc/72/72/44/542727244.db2.gz ANJUIBZJUMPCMA-QGZVFWFLSA-N 1 3 309.498 2.046 20 0 DEADHO CCCN(CCC[NH+](C)C)Cc1ccccc1-n1cncn1 ZINC000685462692 542728181 /nfs/dbraw/zinc/72/81/81/542728181.db2.gz HXQKJCDACZGYMF-UHFFFAOYSA-N 1 3 301.438 2.431 20 0 DEADHO CCc1cc(N2CCC(N[C@@H](C)C[C@@H]3CCC[NH2+]3)CC2)ncn1 ZINC000562747885 292008545 /nfs/dbraw/zinc/00/85/45/292008545.db2.gz KBEYDEJUWYHRMJ-YOEHRIQHSA-N 1 3 317.481 2.128 20 0 DEADHO O=C(C1CCC1)N(CCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000358082613 133119674 /nfs/dbraw/zinc/11/96/74/133119674.db2.gz JOIGFWZWGMEJGZ-SJLPKXTDSA-N 1 3 319.493 2.384 20 0 DEADHO O=C(C1CCC1)N(CCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000358082613 133119675 /nfs/dbraw/zinc/11/96/75/133119675.db2.gz JOIGFWZWGMEJGZ-SJLPKXTDSA-N 1 3 319.493 2.384 20 0 DEADHO CCC1(C)CCN(CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000358204788 133128025 /nfs/dbraw/zinc/12/80/25/133128025.db2.gz GNBPYHVFHPWHQZ-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC([NH2+]Cc2ccc(N(C)CCOC)nc2)CC1 ZINC000359960527 133154979 /nfs/dbraw/zinc/15/49/79/133154979.db2.gz YGGAAVJIWZOEPN-UHFFFAOYSA-N 1 3 320.481 2.128 20 0 DEADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(CN2CCCC2=O)cc1 ZINC000360149631 133165494 /nfs/dbraw/zinc/16/54/94/133165494.db2.gz OMLVOSUGUHGEMU-MAUKXSAKSA-N 1 3 315.461 2.239 20 0 DEADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(CN2CCCC2=O)cc1 ZINC000360149631 133165495 /nfs/dbraw/zinc/16/54/95/133165495.db2.gz OMLVOSUGUHGEMU-MAUKXSAKSA-N 1 3 315.461 2.239 20 0 DEADHO CCN1CCC(NC(=O)C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)CC1 ZINC000360199615 133168613 /nfs/dbraw/zinc/16/86/13/133168613.db2.gz MVXXRJRYEHMTJC-BHYGNILZSA-N 1 3 307.482 2.097 20 0 DEADHO CCN1CCC(NC(=O)C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)CC1 ZINC000360199615 133168614 /nfs/dbraw/zinc/16/86/14/133168614.db2.gz MVXXRJRYEHMTJC-BHYGNILZSA-N 1 3 307.482 2.097 20 0 DEADHO C[NH+](C)C[C@@H]1CCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000563097633 292031194 /nfs/dbraw/zinc/03/11/94/292031194.db2.gz ZICBUYHJPHRRLG-HOCLYGCPSA-N 1 3 303.450 2.123 20 0 DEADHO Fc1ccc(-n2cc(CNCC[C@H]3CC[NH2+]C3)nn2)c(Cl)c1 ZINC000563427553 292056706 /nfs/dbraw/zinc/05/67/06/292056706.db2.gz PPYHIUWDBJHJPC-LLVKDONJSA-N 1 3 323.803 2.149 20 0 DEADHO C[NH+](C)CC1(CNC[C@H](O)COCc2ccccc2)CCCC1 ZINC000564562214 292099662 /nfs/dbraw/zinc/09/96/62/292099662.db2.gz QPJMVNZYAYPYKM-SFHVURJKSA-N 1 3 320.477 2.276 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000564823004 292113113 /nfs/dbraw/zinc/11/31/13/292113113.db2.gz PISDURBPPHPBCQ-OGWHTMIXSA-N 1 3 317.477 2.245 20 0 DEADHO CCC[N@H+](Cc1ccc(-n2cncn2)c(F)c1)C1CCNCC1 ZINC000564968768 292123574 /nfs/dbraw/zinc/12/35/74/292123574.db2.gz CVJCHLWHHJTREA-UHFFFAOYSA-N 1 3 317.412 2.370 20 0 DEADHO CCC[N@@H+](Cc1ccc(-n2cncn2)c(F)c1)C1CCNCC1 ZINC000564968768 292123575 /nfs/dbraw/zinc/12/35/75/292123575.db2.gz CVJCHLWHHJTREA-UHFFFAOYSA-N 1 3 317.412 2.370 20 0 DEADHO CC(C)[C@H]1C[N@H+](CCCN2CCN(C(C)C)CC2)CCS1 ZINC000191517974 145059473 /nfs/dbraw/zinc/05/94/73/145059473.db2.gz UVEMJPQLFRVYQA-QGZVFWFLSA-N 1 3 313.555 2.476 20 0 DEADHO CC(C)[C@H]1C[N@@H+](CCCN2CCN(C(C)C)CC2)CCS1 ZINC000191517974 145059475 /nfs/dbraw/zinc/05/94/75/145059475.db2.gz UVEMJPQLFRVYQA-QGZVFWFLSA-N 1 3 313.555 2.476 20 0 DEADHO CC(C)N1CCN(CCC[NH2+][C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000191612407 145061685 /nfs/dbraw/zinc/06/16/85/145061685.db2.gz PSNMOUCSPRKXNJ-INIZCTEOSA-N 1 3 311.514 2.338 20 0 DEADHO CN(C(=O)C[C@H]1CCC[NH2+]1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000246272887 145096603 /nfs/dbraw/zinc/09/66/03/145096603.db2.gz LYUMMLDWUQXJCW-QZTJIDSGSA-N 1 3 315.461 2.252 20 0 DEADHO CCN1CC[C@H]([NH2+]Cc2cccc(CS(C)(=O)=O)c2)[C@@H](C)C1 ZINC000246894165 145118709 /nfs/dbraw/zinc/11/87/09/145118709.db2.gz DZUPEIAXDZKYER-YOEHRIQHSA-N 1 3 324.490 2.051 20 0 DEADHO C[C@@H]1CC[NH2+][C@@H](C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000261533140 145205936 /nfs/dbraw/zinc/20/59/36/145205936.db2.gz ATEGQNPBYDUMBJ-CRAIPNDOSA-N 1 3 315.461 2.155 20 0 DEADHO c1nc(C2CCN(C[C@@H]3CCC[NH2+]C3)CC2)n2c1CCCC2 ZINC000261886908 145237575 /nfs/dbraw/zinc/23/75/75/145237575.db2.gz WZVJKCWCVRNOLO-OAHLLOKOSA-N 1 3 302.466 2.398 20 0 DEADHO CC[NH2+][C@H](C)CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000262444761 145284419 /nfs/dbraw/zinc/28/44/19/145284419.db2.gz IIWMAOQZOVDMCG-ZBFHGGJFSA-N 1 3 321.440 2.152 20 0 DEADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000263058718 145321683 /nfs/dbraw/zinc/32/16/83/145321683.db2.gz VCZFEVRFCHOMGU-LMMKCTJWSA-N 1 3 315.461 2.285 20 0 DEADHO COc1cc(CN2CCC(OCCC[NH3+])CC2)cc(OC)c1 ZINC000316524421 145362644 /nfs/dbraw/zinc/36/26/44/145362644.db2.gz YYJCVVAYOGXBGB-UHFFFAOYSA-N 1 3 308.422 2.034 20 0 DEADHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)[C@@H]1CCCO1 ZINC000346473034 146088002 /nfs/dbraw/zinc/08/80/02/146088002.db2.gz DWRUBZAXPIYDDF-APWZRJJASA-N 1 3 317.477 2.091 20 0 DEADHO Cc1nn(C)c2ncc(CN3CCC([C@H]4CCC[NH2+]4)CC3)cc12 ZINC000347019206 146181792 /nfs/dbraw/zinc/18/17/92/146181792.db2.gz LTLAMKPPVZWUJM-QGZVFWFLSA-N 1 3 313.449 2.241 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000349119267 146352734 /nfs/dbraw/zinc/35/27/34/146352734.db2.gz PBWQWXRERIAEOM-YESZJQIVSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCN1C ZINC000565432886 292162073 /nfs/dbraw/zinc/16/20/73/292162073.db2.gz OXRFICUUITYPDS-KBAYOESNSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000565432886 292162076 /nfs/dbraw/zinc/16/20/76/292162076.db2.gz OXRFICUUITYPDS-KBAYOESNSA-N 1 3 315.461 2.107 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)[C@@H](CN)c2ccc(F)cc2)CC1 ZINC000358862822 147220990 /nfs/dbraw/zinc/22/09/90/147220990.db2.gz YDERUTDJKLUUOB-KRWDZBQOSA-N 1 3 321.440 2.105 20 0 DEADHO C[C@@H](CNC(=O)[C@@H](CN)c1ccc(F)cc1)[NH+]1CCC(C)CC1 ZINC000358867609 147221979 /nfs/dbraw/zinc/22/19/79/147221979.db2.gz UAEVQOOPZUWKTM-YOEHRIQHSA-N 1 3 321.440 2.105 20 0 DEADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000358870140 147222586 /nfs/dbraw/zinc/22/25/86/147222586.db2.gz ZMXIWGNMKOGJTK-CPUCHLNUSA-N 1 3 321.440 2.105 20 0 DEADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000358870140 147222588 /nfs/dbraw/zinc/22/25/88/147222588.db2.gz ZMXIWGNMKOGJTK-CPUCHLNUSA-N 1 3 321.440 2.105 20 0 DEADHO COc1cc(F)ccc1N1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000359199761 147280783 /nfs/dbraw/zinc/28/07/83/147280783.db2.gz FHXDSAYHEKWTSZ-UHFFFAOYSA-N 1 3 321.440 2.346 20 0 DEADHO COc1ccccc1CN1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000359226204 147286097 /nfs/dbraw/zinc/28/60/97/147286097.db2.gz VQXZUZWWSBJGFO-UHFFFAOYSA-N 1 3 317.477 2.203 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000359238443 147288389 /nfs/dbraw/zinc/28/83/89/147288389.db2.gz QVEQWBKKOLKJBV-CVEARBPZSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000359238443 147288390 /nfs/dbraw/zinc/28/83/90/147288390.db2.gz QVEQWBKKOLKJBV-CVEARBPZSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000359345507 147311020 /nfs/dbraw/zinc/31/10/20/147311020.db2.gz BHIHYLHXFFQVEB-GJZGRUSLSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000359345507 147311022 /nfs/dbraw/zinc/31/10/22/147311022.db2.gz BHIHYLHXFFQVEB-GJZGRUSLSA-N 1 3 322.497 2.033 20 0 DEADHO CO[C@]1(C[NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)CCOC1 ZINC000359416174 147324196 /nfs/dbraw/zinc/32/41/96/147324196.db2.gz JBSYXXYCZOBETB-QAPCUYQASA-N 1 3 322.449 2.083 20 0 DEADHO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000361098294 147445000 /nfs/dbraw/zinc/44/50/00/147445000.db2.gz SEALQXAKSCIPHC-HZPDHXFCSA-N 1 3 317.433 2.405 20 0 DEADHO CC1(C)[C@@H](CNC(=O)NC[C@@H]2CCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000565647521 292175130 /nfs/dbraw/zinc/17/51/30/292175130.db2.gz TXNNNQACNXHRJO-JYJNAYRXSA-N 1 3 301.434 2.477 20 0 DEADHO C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000371505957 148111253 /nfs/dbraw/zinc/11/12/53/148111253.db2.gz NAMKMXBSXKQCJP-QFBILLFUSA-N 1 3 314.477 2.144 20 0 DEADHO CCCN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)C ZINC000565900109 292190216 /nfs/dbraw/zinc/19/02/16/292190216.db2.gz GQWWQGNHXPFNBE-UHFFFAOYSA-N 1 3 324.513 2.375 20 0 DEADHO C[N@@H+]1CCC[C@H](CCNC(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000565939507 292192279 /nfs/dbraw/zinc/19/22/79/292192279.db2.gz AZIXOWVOHVYQJZ-CQSZACIVSA-N 1 3 316.449 2.186 20 0 DEADHO C[N@H+]1CCC[C@H](CCNC(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000565939507 292192281 /nfs/dbraw/zinc/19/22/81/292192281.db2.gz AZIXOWVOHVYQJZ-CQSZACIVSA-N 1 3 316.449 2.186 20 0 DEADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CCN(C)CC2)C1 ZINC000111797632 401724096 /nfs/dbraw/zinc/72/40/96/401724096.db2.gz ALWGNMDOZUVFMN-HNNXBMFYSA-N 1 3 324.513 2.280 20 0 DEADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CCN(C)CC2)C1 ZINC000111797632 401724098 /nfs/dbraw/zinc/72/40/98/401724098.db2.gz ALWGNMDOZUVFMN-HNNXBMFYSA-N 1 3 324.513 2.280 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000073897835 401724504 /nfs/dbraw/zinc/72/45/04/401724504.db2.gz DXPQISRVYJWXAB-IAGOWNOFSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N(C)C ZINC000126785640 401707971 /nfs/dbraw/zinc/70/79/71/401707971.db2.gz JUDGKIPEFNULMB-UAGQMJEPSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N(C)C ZINC000126785640 401707975 /nfs/dbraw/zinc/70/79/75/401707975.db2.gz JUDGKIPEFNULMB-UAGQMJEPSA-N 1 3 307.482 2.048 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000129124208 401799262 /nfs/dbraw/zinc/79/92/62/401799262.db2.gz RCKDCRQIRDQFSD-QGZVFWFLSA-N 1 3 303.450 2.239 20 0 DEADHO CC[C@H]1CCC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000077856366 401835102 /nfs/dbraw/zinc/83/51/02/401835102.db2.gz HCXUKYPFKDXBHM-JKSUJKDBSA-N 1 3 312.502 2.090 20 0 DEADHO CC[N@@H+]1CCC[C@@H](CN[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000131898395 401858907 /nfs/dbraw/zinc/85/89/07/401858907.db2.gz GGXMYSYLZCSMBX-LSDHHAIUSA-N 1 3 311.470 2.317 20 0 DEADHO CC[N@H+]1CCC[C@@H](CN[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000131898395 401858908 /nfs/dbraw/zinc/85/89/08/401858908.db2.gz GGXMYSYLZCSMBX-LSDHHAIUSA-N 1 3 311.470 2.317 20 0 DEADHO CC1(C)C[C@@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)C(C)(C)O1 ZINC000133112565 401879085 /nfs/dbraw/zinc/87/90/85/401879085.db2.gz AGCBRBZDAGFWKO-GOEBONIOSA-N 1 3 310.482 2.423 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)CC1 ZINC000085401238 401915550 /nfs/dbraw/zinc/91/55/50/401915550.db2.gz GCUKMWFPTBJBQI-DOTOQJQBSA-N 1 3 324.513 2.233 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)CCCC[NH3+])N2CCCC2)cc1 ZINC000566169300 292213564 /nfs/dbraw/zinc/21/35/64/292213564.db2.gz BQCAZHHCFBWZHW-QGZVFWFLSA-N 1 3 303.450 2.377 20 0 DEADHO CC[C@@H](C)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000090028320 401979288 /nfs/dbraw/zinc/97/92/88/401979288.db2.gz DIVDZLYJDOZYHU-OAHLLOKOSA-N 1 3 303.450 2.400 20 0 DEADHO COCCOc1ccccc1CN(C)CC1CC[NH+](C)CC1 ZINC000093089173 402012332 /nfs/dbraw/zinc/01/23/32/402012332.db2.gz GXPSPGMAMDFPPQ-UHFFFAOYSA-N 1 3 306.450 2.485 20 0 DEADHO C[C@H]1C[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CN1C1CC1 ZINC000122177420 402065159 /nfs/dbraw/zinc/06/51/59/402065159.db2.gz JLLLBRFGHJLZBF-ZFWWWQNUSA-N 1 3 322.497 2.174 20 0 DEADHO C[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)CN1CCOCC1 ZINC000153109887 402127251 /nfs/dbraw/zinc/12/72/51/402127251.db2.gz MAOHMMRBVMABHA-KRWDZBQOSA-N 1 3 323.525 2.341 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2CC(C)C)CC1 ZINC000123555629 402133992 /nfs/dbraw/zinc/13/39/92/402133992.db2.gz NXBRHVUEXRWKLS-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CCN(C)CC1 ZINC000066697409 402140256 /nfs/dbraw/zinc/14/02/56/402140256.db2.gz GDBOEJCHESGHJB-MRXNPFEDSA-N 1 3 310.486 2.034 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CCN(C)CC1 ZINC000066697409 402140258 /nfs/dbraw/zinc/14/02/58/402140258.db2.gz GDBOEJCHESGHJB-MRXNPFEDSA-N 1 3 310.486 2.034 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)CC1 ZINC000101660318 402153239 /nfs/dbraw/zinc/15/32/39/402153239.db2.gz ZXIKFRCVWSDOPZ-JYJNAYRXSA-N 1 3 309.498 2.484 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](Cc1ccccc1)[NH+](CC)CC)N(C)C ZINC000124765315 402196134 /nfs/dbraw/zinc/19/61/34/402196134.db2.gz HEUFJOSCLNLGKY-QZTJIDSGSA-N 1 3 319.493 2.396 20 0 DEADHO Cc1cc2ncc([C@@H](C)[NH2+]C[C@@H]3CCN(C4CC4)C3)c(C)n2n1 ZINC000124362848 402176163 /nfs/dbraw/zinc/17/61/63/402176163.db2.gz DJYDGAWHFVZXTJ-HIFRSBDPSA-N 1 3 313.449 2.481 20 0 DEADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)CNC3CC3)cc2)C1 ZINC000154623291 402222222 /nfs/dbraw/zinc/22/22/22/402222222.db2.gz VODWYPIOVCVWHP-HNNXBMFYSA-N 1 3 315.461 2.287 20 0 DEADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CNC3CC3)cc2)C1 ZINC000154623291 402222226 /nfs/dbraw/zinc/22/22/26/402222226.db2.gz VODWYPIOVCVWHP-HNNXBMFYSA-N 1 3 315.461 2.287 20 0 DEADHO [NH3+]CC[C@H]1CCCN(CC(=O)NCc2ccc(Cl)cc2)C1 ZINC000070170473 402257693 /nfs/dbraw/zinc/25/76/93/402257693.db2.gz BNYUPGOAJMJMDC-CQSZACIVSA-N 1 3 309.841 2.017 20 0 DEADHO CC(C)(C[NH3+])C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000236613735 402368228 /nfs/dbraw/zinc/36/82/28/402368228.db2.gz WBFZOEMFRNXWLF-MRXNPFEDSA-N 1 3 303.450 2.142 20 0 DEADHO CC[C@H](N)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000236917838 402388992 /nfs/dbraw/zinc/38/89/92/402388992.db2.gz XNTNAAQDQGAOLD-PBHICJAKSA-N 1 3 303.450 2.415 20 0 DEADHO CC[C@H](N)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000236917838 402388993 /nfs/dbraw/zinc/38/89/93/402388993.db2.gz XNTNAAQDQGAOLD-PBHICJAKSA-N 1 3 303.450 2.415 20 0 DEADHO C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000237144004 402396632 /nfs/dbraw/zinc/39/66/32/402396632.db2.gz XIWWWTBDRHTFQQ-GOEBONIOSA-N 1 3 321.440 2.009 20 0 DEADHO C[C@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)N1CCCCCC1 ZINC000237391034 402407008 /nfs/dbraw/zinc/40/70/08/402407008.db2.gz AIDZJVMMALYPOJ-OAHLLOKOSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000237409132 402407016 /nfs/dbraw/zinc/40/70/16/402407016.db2.gz OILKKOVOQPIGEQ-BEFAXECRSA-N 1 3 315.461 2.328 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)C2(N)CC2)C1 ZINC000237467197 402408866 /nfs/dbraw/zinc/40/88/66/402408866.db2.gz ACUDDFVUEHLDRM-HUUCEWRRSA-N 1 3 315.461 2.272 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000237482384 402409366 /nfs/dbraw/zinc/40/93/66/402409366.db2.gz OILKKOVOQPIGEQ-HNAYVOBHSA-N 1 3 315.461 2.328 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@]2(C)CC[NH2+]C2)N2CCCC2)cc1 ZINC000237625715 402416145 /nfs/dbraw/zinc/41/61/45/402416145.db2.gz GGCFPGOJNKZDOS-PKOBYXMFSA-N 1 3 315.461 2.248 20 0 DEADHO [NH3+][C@H]1CCC[C@@H](C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000238011906 402431965 /nfs/dbraw/zinc/43/19/65/402431965.db2.gz SPCQNIMZRICZAQ-SJORKVTESA-N 1 3 315.461 2.285 20 0 DEADHO C[C@H]1C[C@H](NCCNC(=O)c2ccccc2Cl)CC[N@@H+]1C ZINC000178168437 402467460 /nfs/dbraw/zinc/46/74/60/402467460.db2.gz CRKUJQUAYBJVPL-QWHCGFSZSA-N 1 3 309.841 2.142 20 0 DEADHO C[C@H]1C[C@H](NCCNC(=O)c2ccccc2Cl)CC[N@H+]1C ZINC000178168437 402467461 /nfs/dbraw/zinc/46/74/61/402467461.db2.gz CRKUJQUAYBJVPL-QWHCGFSZSA-N 1 3 309.841 2.142 20 0 DEADHO C[C@H]([NH2+]Cc1cccc(CN(C)C)c1)C1CCS(=O)(=O)CC1 ZINC000186966826 402474317 /nfs/dbraw/zinc/47/43/17/402474317.db2.gz LXTWUWYASDMWBP-AWEZNQCLSA-N 1 3 324.490 2.051 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])C(C)C)N2CCCC2)cc1 ZINC000166323040 402484116 /nfs/dbraw/zinc/48/41/16/402484116.db2.gz OFZWODRRYHMMPL-SJORKVTESA-N 1 3 303.450 2.231 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)C[C@@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000167548024 402492301 /nfs/dbraw/zinc/49/23/01/402492301.db2.gz XLMHSKQGPRKYHK-NJAFHUGGSA-N 1 3 315.461 2.298 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)C[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000167622417 402492643 /nfs/dbraw/zinc/49/26/43/402492643.db2.gz NHRXJPZMTPARJU-HOCLYGCPSA-N 1 3 303.450 2.374 20 0 DEADHO CN(C(=O)[C@@H](N)C(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000167669950 402492970 /nfs/dbraw/zinc/49/29/70/402492970.db2.gz OACZCSJWPJGWEN-QGZVFWFLSA-N 1 3 317.477 2.483 20 0 DEADHO [NH3+][C@H]1CCC[C@@H](C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000168999553 402499286 /nfs/dbraw/zinc/49/92/86/402499286.db2.gz FTGWSRDQZZSSLS-FGTMMUONSA-N 1 3 315.461 2.285 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000247071084 402555805 /nfs/dbraw/zinc/55/58/05/402555805.db2.gz WXRWGROBVBMEHX-QXSJWSMHSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000247071084 402555807 /nfs/dbraw/zinc/55/58/07/402555807.db2.gz WXRWGROBVBMEHX-QXSJWSMHSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000247090753 402557065 /nfs/dbraw/zinc/55/70/65/402557065.db2.gz NZURPQSYUHMTLF-LMSBXDPUSA-N 1 3 321.509 2.486 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000247090753 402557067 /nfs/dbraw/zinc/55/70/67/402557067.db2.gz NZURPQSYUHMTLF-LMSBXDPUSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)C1 ZINC000246177290 402515851 /nfs/dbraw/zinc/51/58/51/402515851.db2.gz GSSDPWLNFVZNJD-ZACQAIPSSA-N 1 3 324.513 2.088 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)C1 ZINC000246177290 402515852 /nfs/dbraw/zinc/51/58/52/402515852.db2.gz GSSDPWLNFVZNJD-ZACQAIPSSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000246197552 402518120 /nfs/dbraw/zinc/51/81/20/402518120.db2.gz DPJKFCHMLAUNSU-BPQIPLTHSA-N 1 3 315.461 2.155 20 0 DEADHO CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]C2)[C@@H]1c1cccs1 ZINC000246244320 402519655 /nfs/dbraw/zinc/51/96/55/402519655.db2.gz JECCJPBRJCRXNQ-IJEWVQPXSA-N 1 3 321.490 2.247 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CCCN1CC ZINC000246333280 402525447 /nfs/dbraw/zinc/52/54/47/402525447.db2.gz ONCQMFWANYCGBD-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1CCCN1CC ZINC000246333280 402525448 /nfs/dbraw/zinc/52/54/48/402525448.db2.gz ONCQMFWANYCGBD-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)C1 ZINC000246364394 402527532 /nfs/dbraw/zinc/52/75/32/402527532.db2.gz HIPZYEXPDDWSRT-ARFHVFGLSA-N 1 3 322.497 2.031 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)C1 ZINC000246364394 402527534 /nfs/dbraw/zinc/52/75/34/402527534.db2.gz HIPZYEXPDDWSRT-ARFHVFGLSA-N 1 3 322.497 2.031 20 0 DEADHO CC(C)N(C(=O)CN1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000262003196 402721249 /nfs/dbraw/zinc/72/12/49/402721249.db2.gz VLQSVCLFCCSXNJ-MRXNPFEDSA-N 1 3 303.450 2.489 20 0 DEADHO Cc1ccccc1CN1CCC(NC(=O)[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000192093926 402710626 /nfs/dbraw/zinc/71/06/26/402710626.db2.gz IYFQRECHNTWNAI-HUUCEWRRSA-N 1 3 303.450 2.059 20 0 DEADHO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000192101289 402711169 /nfs/dbraw/zinc/71/11/69/402711169.db2.gz MAJCKSNTZJCXGD-ZOBUZTSGSA-N 1 3 303.450 2.141 20 0 DEADHO CC(C)(CNC(=O)CC[NH2+]C1CC1)N1CCc2ccccc2C1 ZINC000566473940 292245288 /nfs/dbraw/zinc/24/52/88/292245288.db2.gz MQLVECIJUKHCHQ-UHFFFAOYSA-N 1 3 315.461 2.082 20 0 DEADHO CN(CCC(=O)Nc1ccc(F)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000172583465 402664396 /nfs/dbraw/zinc/66/43/96/402664396.db2.gz LNWGODUUJLNSDG-CQSZACIVSA-N 1 3 307.413 2.428 20 0 DEADHO CN(CCC(=O)Nc1ccc(F)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000172583465 402664397 /nfs/dbraw/zinc/66/43/97/402664397.db2.gz LNWGODUUJLNSDG-CQSZACIVSA-N 1 3 307.413 2.428 20 0 DEADHO CSCC[C@H](C)[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000191574858 402680034 /nfs/dbraw/zinc/68/00/34/402680034.db2.gz FCSPGOOQUFDIBQ-INIZCTEOSA-N 1 3 301.544 2.476 20 0 DEADHO CSCC[C@H](C)[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000191574858 402680035 /nfs/dbraw/zinc/68/00/35/402680035.db2.gz FCSPGOOQUFDIBQ-INIZCTEOSA-N 1 3 301.544 2.476 20 0 DEADHO CCCN1CCC([NH2+]CC2(N3CCCCC3)CCOCC2)CC1 ZINC000183245061 402749684 /nfs/dbraw/zinc/74/96/84/402749684.db2.gz CHDIGVVHGXMESA-UHFFFAOYSA-N 1 3 323.525 2.486 20 0 DEADHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2cccc(O)c2)CC1 ZINC000192787604 402749712 /nfs/dbraw/zinc/74/97/12/402749712.db2.gz XZXJSWWUXXRTME-MRXNPFEDSA-N 1 3 305.466 2.459 20 0 DEADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2cncc(C)c2)CC1 ZINC000184277496 402832054 /nfs/dbraw/zinc/83/20/54/402832054.db2.gz RFLSMDJPQLPORT-KRWDZBQOSA-N 1 3 304.482 2.458 20 0 DEADHO C[C@@H](C[S@@](C)=O)N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000184306975 402834479 /nfs/dbraw/zinc/83/44/79/402834479.db2.gz QSGIBEVILZBMEP-DGCWBMGLSA-N 1 3 312.479 2.045 20 0 DEADHO Cc1cccnc1CN1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000271524395 402879297 /nfs/dbraw/zinc/87/92/97/402879297.db2.gz LNWZFOGIJUQVGO-UHFFFAOYSA-N 1 3 316.493 2.380 20 0 DEADHO C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H](C)CN1 ZINC000272611422 402958875 /nfs/dbraw/zinc/95/88/75/402958875.db2.gz WIKLAZRQULZJDL-NUJGCVRESA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H](C)CN1 ZINC000272611422 402958877 /nfs/dbraw/zinc/95/88/77/402958877.db2.gz WIKLAZRQULZJDL-NUJGCVRESA-N 1 3 315.461 2.107 20 0 DEADHO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000279777189 402961549 /nfs/dbraw/zinc/96/15/49/402961549.db2.gz SVUAKSHGUXPCEU-IEBWSBKVSA-N 1 3 319.493 2.380 20 0 DEADHO CC[C@@H](CNC(=O)CCCC[NH3+])N1CCc2ccccc2C1 ZINC000566559938 292252134 /nfs/dbraw/zinc/25/21/34/292252134.db2.gz FWCRBKPNKDWCHE-KRWDZBQOSA-N 1 3 303.450 2.069 20 0 DEADHO C[NH+](C)C/C=C/C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000265593109 402931817 /nfs/dbraw/zinc/93/18/17/402931817.db2.gz BCGXHAGMGKMNRY-SGJXGLNRSA-N 1 3 321.490 2.194 20 0 DEADHO CC[NH+](CC)Cc1ccc(CNC(=O)/C=C/CN(C)C)cc1 ZINC000265596437 402932148 /nfs/dbraw/zinc/93/21/48/402932148.db2.gz BMGHWJKICVSWII-BQYQJAHWSA-N 1 3 303.450 2.262 20 0 DEADHO CCC[N@H+](CC)CCNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000268129845 403052085 /nfs/dbraw/zinc/05/20/85/403052085.db2.gz ORJPTNGQQPWNIK-UHFFFAOYSA-N 1 3 324.469 2.085 20 0 DEADHO CCC[N@@H+](CC)CCNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000268129845 403052086 /nfs/dbraw/zinc/05/20/86/403052086.db2.gz ORJPTNGQQPWNIK-UHFFFAOYSA-N 1 3 324.469 2.085 20 0 DEADHO [NH3+]CC[C@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000281626097 403076321 /nfs/dbraw/zinc/07/63/21/403076321.db2.gz CQHSNHANRZTDGM-MRXNPFEDSA-N 1 3 315.461 2.483 20 0 DEADHO CN(c1ccccc1C[NH2+]C[C@@H](O)C1CC1)C1CCN(C)CC1 ZINC000268384730 403078682 /nfs/dbraw/zinc/07/86/82/403078682.db2.gz VUTDLKVLRFKDST-LJQANCHMSA-N 1 3 317.477 2.078 20 0 DEADHO CN(c1ccccc1CNC[C@@H](O)C1CC1)C1CC[NH+](C)CC1 ZINC000268384730 403078684 /nfs/dbraw/zinc/07/86/84/403078684.db2.gz VUTDLKVLRFKDST-LJQANCHMSA-N 1 3 317.477 2.078 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCNC(=O)c1ccc(Cl)cc1 ZINC000268791204 403114090 /nfs/dbraw/zinc/11/40/90/403114090.db2.gz BXBNPEHMCDVFMD-DVOMOZLQSA-N 1 3 323.868 2.388 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCNC(=O)c1ccc(Cl)cc1 ZINC000268791204 403114091 /nfs/dbraw/zinc/11/40/91/403114091.db2.gz BXBNPEHMCDVFMD-DVOMOZLQSA-N 1 3 323.868 2.388 20 0 DEADHO C[C@H](CC[NH+](C)C)NC(=O)Nc1ccccc1CCN(C)C ZINC000275709806 403117387 /nfs/dbraw/zinc/11/73/87/403117387.db2.gz UNCWTBSRYFUDHR-CQSZACIVSA-N 1 3 306.454 2.252 20 0 DEADHO COCCN(C)CC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000268826496 403118667 /nfs/dbraw/zinc/11/86/67/403118667.db2.gz IMYBVMSODHFHOF-PKOBYXMFSA-N 1 3 319.493 2.065 20 0 DEADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCC23CCC3)c1 ZINC000282060360 403118795 /nfs/dbraw/zinc/11/87/95/403118795.db2.gz GSFLGHAEVNBEMB-KRWDZBQOSA-N 1 3 315.461 2.400 20 0 DEADHO CCN1CC[C@@H]([NH2+]CC2(N(C)C)Cc3ccccc3C2)[C@H](C)C1 ZINC000268886963 403120785 /nfs/dbraw/zinc/12/07/85/403120785.db2.gz LOMXQBSDRBOVKW-VQIMIIECSA-N 1 3 315.505 2.406 20 0 DEADHO C[C@@H](NCC1([S@@](C)=O)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000282145979 403127015 /nfs/dbraw/zinc/12/70/15/403127015.db2.gz CJZUULKFPNXRAP-JLCFBVMHSA-N 1 3 324.490 2.189 20 0 DEADHO C[C@@H]1C[C@H](NCCC(=O)Nc2cc(F)cc(F)c2)CC[N@@H+]1C ZINC000566733319 292264610 /nfs/dbraw/zinc/26/46/10/292264610.db2.gz PXPZULBWVUZOTA-BXUZGUMPSA-N 1 3 311.376 2.366 20 0 DEADHO C[C@@H]1C[C@H](NCCC(=O)Nc2cc(F)cc(F)c2)CC[N@H+]1C ZINC000566733319 292264612 /nfs/dbraw/zinc/26/46/12/292264612.db2.gz PXPZULBWVUZOTA-BXUZGUMPSA-N 1 3 311.376 2.366 20 0 DEADHO C[C@@H](NCC1([S@@](C)=O)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000282362005 403146566 /nfs/dbraw/zinc/14/65/66/403146566.db2.gz PUGKHSWKUXDIIZ-JLCFBVMHSA-N 1 3 324.490 2.189 20 0 DEADHO CN(C)CCOc1ccc(CC[NH2+]Cc2ccn(C)c2)cc1 ZINC000270676344 403212135 /nfs/dbraw/zinc/21/21/35/403212135.db2.gz XMDWHWKXJSYUNF-UHFFFAOYSA-N 1 3 301.434 2.298 20 0 DEADHO C[C@H]1OCC[C@H]1[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000284152479 403249847 /nfs/dbraw/zinc/24/98/47/403249847.db2.gz VUPOQWCVVRYPKL-RDTXWAMCSA-N 1 3 304.434 2.427 20 0 DEADHO CN(C)Cc1ccc(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc1 ZINC000566795616 292268597 /nfs/dbraw/zinc/26/85/97/292268597.db2.gz QTLGSEVDIXNGEB-INIZCTEOSA-N 1 3 303.450 2.256 20 0 DEADHO c1cc(CN2CCC(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)ccn1 ZINC000339077132 403346184 /nfs/dbraw/zinc/34/61/84/403346184.db2.gz ZEBYLNLHTJVGLF-RTBURBONSA-N 1 3 314.477 2.262 20 0 DEADHO c1cc(CN2CCC(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)ccn1 ZINC000339077132 403346185 /nfs/dbraw/zinc/34/61/85/403346185.db2.gz ZEBYLNLHTJVGLF-RTBURBONSA-N 1 3 314.477 2.262 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)CC[C@H]2CCC[NH2+]2)CN1Cc1ccccc1 ZINC000292182521 403314128 /nfs/dbraw/zinc/31/41/28/403314128.db2.gz WWWBHMIAGUAAJQ-KBAYOESNSA-N 1 3 315.461 2.298 20 0 DEADHO COC(=O)CC[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285528896 403319075 /nfs/dbraw/zinc/31/90/75/403319075.db2.gz KSRZZQMLNSDEGR-SFHVURJKSA-N 1 3 302.418 2.148 20 0 DEADHO COC(=O)CC[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285528896 403319079 /nfs/dbraw/zinc/31/90/79/403319079.db2.gz KSRZZQMLNSDEGR-SFHVURJKSA-N 1 3 302.418 2.148 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[NH2+][C@H]2C)CN1Cc1ccccc1 ZINC000342715002 403319127 /nfs/dbraw/zinc/31/91/27/403319127.db2.gz ULWRHBFGVSONDE-FZCLSBEQSA-N 1 3 315.461 2.154 20 0 DEADHO O=C(NCCN1CCCC1)c1ccccc1CC1CC[NH2+]CC1 ZINC000342764472 403340348 /nfs/dbraw/zinc/34/03/48/403340348.db2.gz IBIXWGDXMKRSFE-UHFFFAOYSA-N 1 3 315.461 2.054 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CC(C)(C)[C@H]3CCC[C@H]32)CC1 ZINC000339718766 403428417 /nfs/dbraw/zinc/42/84/17/403428417.db2.gz LQRBXHZEZAHKFT-JKSUJKDBSA-N 1 3 307.482 2.097 20 0 DEADHO CN(C(=O)CCN1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000293125521 403394982 /nfs/dbraw/zinc/39/49/82/403394982.db2.gz ZKLTVUZKLBTDFJ-IBGZPJMESA-N 1 3 315.461 2.457 20 0 DEADHO CN(C(=O)CCN1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccccc1 ZINC000293125521 403394986 /nfs/dbraw/zinc/39/49/86/403394986.db2.gz ZKLTVUZKLBTDFJ-IBGZPJMESA-N 1 3 315.461 2.457 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCCCC1 ZINC000342944498 403405646 /nfs/dbraw/zinc/40/56/46/403405646.db2.gz PVWZFGJJBFQPOB-WBVHZDCISA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)N1CCCCC1 ZINC000342944498 403405651 /nfs/dbraw/zinc/40/56/51/403405651.db2.gz PVWZFGJJBFQPOB-WBVHZDCISA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000285976377 403423260 /nfs/dbraw/zinc/42/32/60/403423260.db2.gz HNMOMVJUVQFPNZ-RVKKMQEKSA-N 1 3 315.461 2.399 20 0 DEADHO CC[NH+](CC)CC1CCN([C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000343047849 403443235 /nfs/dbraw/zinc/44/32/35/403443235.db2.gz YXMYVAUCNNMFRX-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@H](CCNC(=O)N[C@@H]1CCCN(C)[C@@H]1C)[NH+]1CCCCC1 ZINC000345744501 403465652 /nfs/dbraw/zinc/46/56/52/403465652.db2.gz KNZMAVQWJSRPTE-ARFHVFGLSA-N 1 3 310.486 2.033 20 0 DEADHO CC[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)N(C)C ZINC000299143063 403533189 /nfs/dbraw/zinc/53/31/89/403533189.db2.gz YINHWLUZXHDEHQ-MRXNPFEDSA-N 1 3 309.429 2.056 20 0 DEADHO [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000332332974 403552761 /nfs/dbraw/zinc/55/27/61/403552761.db2.gz RFCGZHVWPUGQBO-IRXDYDNUSA-N 1 3 322.497 2.021 20 0 DEADHO CC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000339937659 403498232 /nfs/dbraw/zinc/49/82/32/403498232.db2.gz UEHOXUOPRZOFDM-OAHLLOKOSA-N 1 3 320.481 2.278 20 0 DEADHO Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)c1 ZINC000332229044 403522177 /nfs/dbraw/zinc/52/21/77/403522177.db2.gz CYIMZZDEYPEIFI-HOCLYGCPSA-N 1 3 302.422 2.012 20 0 DEADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@@H](C)CN(C)C)c1ccccc1 ZINC000287239817 403558035 /nfs/dbraw/zinc/55/80/35/403558035.db2.gz AYJPVNPAFCQGHT-LSDHHAIUSA-N 1 3 320.481 2.365 20 0 DEADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@@H](C)C1 ZINC000346213681 403580500 /nfs/dbraw/zinc/58/05/00/403580500.db2.gz YRFUVDINZNNCGR-DAYGRLMNSA-N 1 3 319.493 2.050 20 0 DEADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@@H]3CC[C@H](CO)O3)CC2)C1 ZINC000340416677 403609480 /nfs/dbraw/zinc/60/94/80/403609480.db2.gz ZXTZEIDJRCMFGG-LAVFITLUSA-N 1 3 310.482 2.159 20 0 DEADHO COC(C)(C)[C@H](C)[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000340518516 403635167 /nfs/dbraw/zinc/63/51/67/403635167.db2.gz UKSIBSWLYSNXEL-WMLDXEAASA-N 1 3 306.450 2.156 20 0 DEADHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@@H](O)Cc2ccccc2)C1 ZINC000343725581 403708728 /nfs/dbraw/zinc/70/87/28/403708728.db2.gz VZHURSKXPODHSR-RBUKOAKNSA-N 1 3 320.477 2.023 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)CCCN1C ZINC000343659004 403681530 /nfs/dbraw/zinc/68/15/30/403681530.db2.gz RXNINDFOZOEGAM-WBVHZDCISA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)CCCN1C ZINC000343659004 403681533 /nfs/dbraw/zinc/68/15/33/403681533.db2.gz RXNINDFOZOEGAM-WBVHZDCISA-N 1 3 324.513 2.423 20 0 DEADHO Cc1nn(C(C)C)cc1CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333193654 403691204 /nfs/dbraw/zinc/69/12/04/403691204.db2.gz VRKHAQCAHQTNBJ-MSOLQXFVSA-N 1 3 320.481 2.491 20 0 DEADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000340907603 403693618 /nfs/dbraw/zinc/69/36/18/403693618.db2.gz XSXUKWJVKMUUQD-RBSFLKMASA-N 1 3 321.490 2.199 20 0 DEADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000340907603 403693619 /nfs/dbraw/zinc/69/36/19/403693619.db2.gz XSXUKWJVKMUUQD-RBSFLKMASA-N 1 3 321.490 2.199 20 0 DEADHO CCN1CC[C@@H]([NH2+]CC(C)(C)N2CCC(OC)CC2)[C@@H](C)C1 ZINC000347419621 403702933 /nfs/dbraw/zinc/70/29/33/403702933.db2.gz CCIHNWPIICAZQH-DOTOQJQBSA-N 1 3 311.514 2.196 20 0 DEADHO CCN(CC)CC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000294375344 403716833 /nfs/dbraw/zinc/71/68/33/403716833.db2.gz LFVPZQUSYYYCAA-INIZCTEOSA-N 1 3 323.506 2.469 20 0 DEADHO CC[NH+](CC)CC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000294375344 403716836 /nfs/dbraw/zinc/71/68/36/403716836.db2.gz LFVPZQUSYYYCAA-INIZCTEOSA-N 1 3 323.506 2.469 20 0 DEADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H](C)CN(C)C ZINC000288123766 403730094 /nfs/dbraw/zinc/73/00/94/403730094.db2.gz WTEOLTDGWBONBG-HNNXBMFYSA-N 1 3 320.481 2.230 20 0 DEADHO CCOc1cccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)n1 ZINC000343808829 403742164 /nfs/dbraw/zinc/74/21/64/403742164.db2.gz NGKUPFAFGSMUAH-HZPDHXFCSA-N 1 3 321.465 2.459 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@H]2CCCN(C)[C@@H]2C)C1 ZINC000343841338 403754834 /nfs/dbraw/zinc/75/48/34/403754834.db2.gz RTLLMHXNXHMBCE-ZACQAIPSSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@H]2CCCN(C)[C@@H]2C)C1 ZINC000343841338 403754839 /nfs/dbraw/zinc/75/48/39/403754839.db2.gz RTLLMHXNXHMBCE-ZACQAIPSSA-N 1 3 324.513 2.280 20 0 DEADHO CC[NH+]1CCC(N(C)C[C@@H](O)COCc2cccs2)CC1 ZINC000303980830 403758014 /nfs/dbraw/zinc/75/80/14/403758014.db2.gz FLHAOJIREIAULS-OAHLLOKOSA-N 1 3 312.479 2.042 20 0 DEADHO [NH3+][C@H](CC(=O)Nc1ccc2c(c1)CNCCO2)c1ccccc1 ZINC000295100945 403760211 /nfs/dbraw/zinc/76/02/11/403760211.db2.gz UXVNVIZCNJAKNZ-MRXNPFEDSA-N 1 3 311.385 2.197 20 0 DEADHO CN(C)C[C@H]1CN(C(=O)CCCCCC[NH3+])c2ccccc2O1 ZINC000361711280 403816091 /nfs/dbraw/zinc/81/60/91/403816091.db2.gz QPSKQMFZUCAOFM-HNNXBMFYSA-N 1 3 319.449 2.251 20 0 DEADHO CCCC[C@H](N)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000347620127 403777985 /nfs/dbraw/zinc/77/79/85/403777985.db2.gz FDEUIAHVDJOSBO-KRWDZBQOSA-N 1 3 303.450 2.416 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CC1(C)C ZINC000341135971 403790744 /nfs/dbraw/zinc/79/07/44/403790744.db2.gz WHAJRSYLTQXOIP-HZPDHXFCSA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CC1(C)C ZINC000341135971 403790750 /nfs/dbraw/zinc/79/07/50/403790750.db2.gz WHAJRSYLTQXOIP-HZPDHXFCSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H](CNC(=O)c1ccc2c(c1)CNC2)[N@@H+]1CCCC[C@@H]1C ZINC000347672989 403800196 /nfs/dbraw/zinc/80/01/96/403800196.db2.gz PZIJKHQHRAEYIM-UONOGXRCSA-N 1 3 301.434 2.283 20 0 DEADHO C[C@H](CNC(=O)c1ccc2c(c1)CNC2)[N@H+]1CCCC[C@@H]1C ZINC000347672989 403800202 /nfs/dbraw/zinc/80/02/02/403800202.db2.gz PZIJKHQHRAEYIM-UONOGXRCSA-N 1 3 301.434 2.283 20 0 DEADHO CC(C)[N@H+](C)CCCNC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000289287893 403896516 /nfs/dbraw/zinc/89/65/16/403896516.db2.gz PJEVQPOORYRQFP-HOTGVXAUSA-N 1 3 318.417 2.137 20 0 DEADHO CC(C)[N@@H+](C)CCCNC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000289287893 403896526 /nfs/dbraw/zinc/89/65/26/403896526.db2.gz PJEVQPOORYRQFP-HOTGVXAUSA-N 1 3 318.417 2.137 20 0 DEADHO CC(C)N1CCCN(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000341216245 403839851 /nfs/dbraw/zinc/83/98/51/403839851.db2.gz USVXIBDJSBQFEN-IRXDYDNUSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)N1CCCN(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000341216245 403839856 /nfs/dbraw/zinc/83/98/56/403839856.db2.gz USVXIBDJSBQFEN-IRXDYDNUSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCN(CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000351856234 403965549 /nfs/dbraw/zinc/96/55/49/403965549.db2.gz UTVZFAYCGUVUQG-QWRGUYRKSA-N 1 3 313.804 2.477 20 0 DEADHO OC[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCCO1 ZINC000411657955 403928211 /nfs/dbraw/zinc/92/82/11/403928211.db2.gz JYQYPPOYLFMNMK-OALUTQOASA-N 1 3 318.461 2.302 20 0 DEADHO OC[C@@H](NCc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCCO1 ZINC000411661051 403928579 /nfs/dbraw/zinc/92/85/79/403928579.db2.gz UPBPTQPDWHSVTO-RTBURBONSA-N 1 3 318.461 2.302 20 0 DEADHO C[C@@H](NCc1ccncc1OCCC[NH+](C)C)[C@H]1CCCO1 ZINC000344129203 403929642 /nfs/dbraw/zinc/92/96/42/403929642.db2.gz XGVOQHQYPDSOHI-GDBMZVCRSA-N 1 3 307.438 2.069 20 0 DEADHO CC(C)(C)N1CCC([NH2+]CCc2cn3c(n2)SCC3)CC1 ZINC000344128131 403929709 /nfs/dbraw/zinc/92/97/09/403929709.db2.gz JCKLKVOXJFKZQV-UHFFFAOYSA-N 1 3 308.495 2.384 20 0 DEADHO CC(C)(C)[NH+]1CCC(NCCc2cn3c(n2)SCC3)CC1 ZINC000344128131 403929714 /nfs/dbraw/zinc/92/97/14/403929714.db2.gz JCKLKVOXJFKZQV-UHFFFAOYSA-N 1 3 308.495 2.384 20 0 DEADHO C[C@@H]([NH3+])[C@H]1CCN(CCCc2nc(-c3ccccc3)no2)C1 ZINC000351848628 403956972 /nfs/dbraw/zinc/95/69/72/403956972.db2.gz DOUKWEDEVXHZJN-HIFRSBDPSA-N 1 3 300.406 2.338 20 0 DEADHO CC(C)N1CCN(CCC[NH+]2CCC([C@@H]3CCOC3)CC2)CC1 ZINC000369196883 403999635 /nfs/dbraw/zinc/99/96/35/403999635.db2.gz HBWMTLMNGKLGOR-LJQANCHMSA-N 1 3 323.525 2.151 20 0 DEADHO CC[NH+]1CCC(CN[C@@H]2CC(=O)N(C)c3ccccc32)CC1 ZINC000314921790 404004234 /nfs/dbraw/zinc/00/42/34/404004234.db2.gz JLZZKBWFABYWRT-MRXNPFEDSA-N 1 3 301.434 2.416 20 0 DEADHO CC[C@@H]1CCCN1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000354812015 404029946 /nfs/dbraw/zinc/02/99/46/404029946.db2.gz XHDYRPBRNUXVBZ-IAGOWNOFSA-N 1 3 303.450 2.280 20 0 DEADHO CC[C@@H]1CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000354812015 404029953 /nfs/dbraw/zinc/02/99/53/404029953.db2.gz XHDYRPBRNUXVBZ-IAGOWNOFSA-N 1 3 303.450 2.280 20 0 DEADHO CC[C@@H]1CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000354812015 404029956 /nfs/dbraw/zinc/02/99/56/404029956.db2.gz XHDYRPBRNUXVBZ-IAGOWNOFSA-N 1 3 303.450 2.280 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000290207192 404082065 /nfs/dbraw/zinc/08/20/65/404082065.db2.gz RWILVAOKHVXGHN-PVAVHDDUSA-N 1 3 303.450 2.011 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000290231993 404092410 /nfs/dbraw/zinc/09/24/10/404092410.db2.gz URQXMGYAPYTLQO-CABCVRRESA-N 1 3 319.449 2.262 20 0 DEADHO C[NH+](C)Cc1ccc(CN[C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000352031041 404096004 /nfs/dbraw/zinc/09/60/04/404096004.db2.gz YHWAFEQJDAQZMY-IRXDYDNUSA-N 1 3 324.490 2.194 20 0 DEADHO C[C@H]([NH2+]CC1=CCN(C)CC1)c1cccc(N2CCOCC2)c1 ZINC000344308466 404048114 /nfs/dbraw/zinc/04/81/14/404048114.db2.gz YOWMKARPEIAAPK-INIZCTEOSA-N 1 3 315.461 2.436 20 0 DEADHO O=C(C[C@@H]1CCC[NH2+]C1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000320125584 404061373 /nfs/dbraw/zinc/06/13/73/404061373.db2.gz JNMZGSGHXWNRNG-FUHWJXTLSA-N 1 3 315.461 2.329 20 0 DEADHO c1cc2c(cc1CCN[C@H]1CC[N@@H+]3CCC[C@H]3C1)OCCO2 ZINC000337605976 404129016 /nfs/dbraw/zinc/12/90/16/404129016.db2.gz MIYFQNKMRQBZCV-HOTGVXAUSA-N 1 3 302.418 2.217 20 0 DEADHO c1cc2c(cc1CCN[C@H]1CC[N@H+]3CCC[C@H]3C1)OCCO2 ZINC000337605976 404129021 /nfs/dbraw/zinc/12/90/21/404129021.db2.gz MIYFQNKMRQBZCV-HOTGVXAUSA-N 1 3 302.418 2.217 20 0 DEADHO C[C@H]([NH2+]CCc1ccn(C)n1)c1ccc(OCCN(C)C)cc1 ZINC000355031221 404167052 /nfs/dbraw/zinc/16/70/52/404167052.db2.gz AJSDHYRZHGQZNQ-HNNXBMFYSA-N 1 3 316.449 2.254 20 0 DEADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000349663919 404172901 /nfs/dbraw/zinc/17/29/01/404172901.db2.gz FNVADXKNKTYWMA-NVXWUHKLSA-N 1 3 324.513 2.233 20 0 DEADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000352150939 404178884 /nfs/dbraw/zinc/17/88/84/404178884.db2.gz WEVFEXHPIITQBZ-QZTJIDSGSA-N 1 3 319.493 2.442 20 0 DEADHO Cc1cccc([C@H](C)[NH2+]CCCCN2CCN(CCO)CC2)c1 ZINC000341943443 404270597 /nfs/dbraw/zinc/27/05/97/404270597.db2.gz AKZAWNSRIIIKJK-SFHVURJKSA-N 1 3 319.493 2.036 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000349959308 404274292 /nfs/dbraw/zinc/27/42/92/404274292.db2.gz IQAOHKOGSBTKGK-DLBZAZTESA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H](CC1CCOCC1)CN1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000349971467 404280121 /nfs/dbraw/zinc/28/01/21/404280121.db2.gz JRKXXQZTGNTVJM-CVEARBPZSA-N 1 3 312.498 2.216 20 0 DEADHO C[C@H](CC1CCOCC1)CN1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000349971467 404280125 /nfs/dbraw/zinc/28/01/25/404280125.db2.gz JRKXXQZTGNTVJM-CVEARBPZSA-N 1 3 312.498 2.216 20 0 DEADHO C[C@H](CC1CCOCC1)C[NH+]1CCC(N(C)C[C@H](C)O)CC1 ZINC000349971467 404280133 /nfs/dbraw/zinc/28/01/33/404280133.db2.gz JRKXXQZTGNTVJM-CVEARBPZSA-N 1 3 312.498 2.216 20 0 DEADHO CCCC[N@H+](C)CC1CCN(Cc2cnn(CCOC)c2)CC1 ZINC000350222692 404349280 /nfs/dbraw/zinc/34/92/80/404349280.db2.gz QPEHOEDBSZLBLR-UHFFFAOYSA-N 1 3 322.497 2.473 20 0 DEADHO CCCC[N@@H+](C)CC1CCN(Cc2cnn(CCOC)c2)CC1 ZINC000350222692 404349283 /nfs/dbraw/zinc/34/92/83/404349283.db2.gz QPEHOEDBSZLBLR-UHFFFAOYSA-N 1 3 322.497 2.473 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCC(=O)Nc3cc(F)cc(F)c3)C[C@H]21 ZINC000342096131 404364351 /nfs/dbraw/zinc/36/43/51/404364351.db2.gz GTMWCOLWWJSGOH-HFBAOOFYSA-N 1 3 323.387 2.353 20 0 DEADHO C[C@H]1CN(CCC2CC[NH+](CCn3cccn3)CC2)C[C@H](C)O1 ZINC000370205816 404368787 /nfs/dbraw/zinc/36/87/87/404368787.db2.gz FXAUQGHAUCOKKO-IRXDYDNUSA-N 1 3 320.481 2.094 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000370679135 404401708 /nfs/dbraw/zinc/40/17/08/404401708.db2.gz LDAPNDZPTNWOSD-ROUUACIJSA-N 1 3 317.477 2.355 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000370679135 404401716 /nfs/dbraw/zinc/40/17/16/404401716.db2.gz LDAPNDZPTNWOSD-ROUUACIJSA-N 1 3 317.477 2.355 20 0 DEADHO C[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)N1CCCCCC1 ZINC000356306961 404438539 /nfs/dbraw/zinc/43/85/39/404438539.db2.gz XQHQMMDBQKHNII-WMZOPIPTSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)N1CCCCCC1 ZINC000356306961 404438545 /nfs/dbraw/zinc/43/85/45/404438545.db2.gz XQHQMMDBQKHNII-WMZOPIPTSA-N 1 3 307.482 2.195 20 0 DEADHO CCN1CCN(CCCC[NH2+]C2CC(OC(C)(C)C)C2)CC1 ZINC000352555100 404453165 /nfs/dbraw/zinc/45/31/65/404453165.db2.gz JESFOZIMTGKHHP-UHFFFAOYSA-N 1 3 311.514 2.340 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCN(C)C1CC1 ZINC000352736988 404584122 /nfs/dbraw/zinc/58/41/22/404584122.db2.gz DVIZXTIQPGONCZ-MRXNPFEDSA-N 1 3 310.486 2.034 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCCN(C)C1CC1 ZINC000352736988 404584129 /nfs/dbraw/zinc/58/41/29/404584129.db2.gz DVIZXTIQPGONCZ-MRXNPFEDSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000351482944 404596318 /nfs/dbraw/zinc/59/63/18/404596318.db2.gz DJSJRYTUOZTROM-CIRFHOKZSA-N 1 3 315.461 2.073 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000351482944 404596323 /nfs/dbraw/zinc/59/63/23/404596323.db2.gz DJSJRYTUOZTROM-CIRFHOKZSA-N 1 3 315.461 2.073 20 0 DEADHO Cc1ccccc1CN1CCCN(C(=O)[C@H](C)[C@H](C)[NH3+])CC1 ZINC000373798418 404592293 /nfs/dbraw/zinc/59/22/93/404592293.db2.gz FBEAJVBWEJJCHL-CVEARBPZSA-N 1 3 303.450 2.013 20 0 DEADHO C[C@@H]1CN(CCC2CC[NH+](CC3(O)CCC3)CC2)C[C@H](C)O1 ZINC000342354906 404528724 /nfs/dbraw/zinc/52/87/24/404528724.db2.gz HHPSLXPUXZKPRS-IYBDPMFKSA-N 1 3 310.482 2.113 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCCN(C)C2CC2)C1 ZINC000352675144 404538359 /nfs/dbraw/zinc/53/83/59/404538359.db2.gz DUZIGBOVKNCGTK-GASCZTMLSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NCCN(C)C2CC2)C1 ZINC000352675144 404538367 /nfs/dbraw/zinc/53/83/67/404538367.db2.gz DUZIGBOVKNCGTK-GASCZTMLSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000356561498 404594176 /nfs/dbraw/zinc/59/41/76/404594176.db2.gz IRWKDPWTMZZEKC-VVLHAWIVSA-N 1 3 307.482 2.335 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNCc2cnc(N(C)C)n2C)C1 ZINC000414290480 404567905 /nfs/dbraw/zinc/56/79/05/404567905.db2.gz SQKKAOPHMDAMSM-OAHLLOKOSA-N 1 3 307.486 2.088 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNCc2cnc(N(C)C)n2C)C1 ZINC000414290480 404567911 /nfs/dbraw/zinc/56/79/11/404567911.db2.gz SQKKAOPHMDAMSM-OAHLLOKOSA-N 1 3 307.486 2.088 20 0 DEADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)c2ccc(CCNC(C)=O)cc2)C1 ZINC000356674427 404650560 /nfs/dbraw/zinc/65/05/60/404650560.db2.gz IZPAVEXTJZNUJG-QAPCUYQASA-N 1 3 317.477 2.358 20 0 DEADHO CC[N@H+]1CC[C@@H](CN[C@H](C)c2ccc(CCNC(C)=O)cc2)C1 ZINC000356674427 404650566 /nfs/dbraw/zinc/65/05/66/404650566.db2.gz IZPAVEXTJZNUJG-QAPCUYQASA-N 1 3 317.477 2.358 20 0 DEADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(CCNC(C)=O)cc2)C1 ZINC000356674427 404650572 /nfs/dbraw/zinc/65/05/72/404650572.db2.gz IZPAVEXTJZNUJG-QAPCUYQASA-N 1 3 317.477 2.358 20 0 DEADHO c1ccc2c(c1)OC[C@H](CCN[C@H]1CC[N@@H+]3CCC[C@@H]3C1)O2 ZINC000414384329 404605082 /nfs/dbraw/zinc/60/50/82/404605082.db2.gz VLTACPWWSQOERB-XHSDSOJGSA-N 1 3 302.418 2.433 20 0 DEADHO c1ccc2c(c1)OC[C@H](CCN[C@H]1CC[N@H+]3CCC[C@@H]3C1)O2 ZINC000414384329 404605088 /nfs/dbraw/zinc/60/50/88/404605088.db2.gz VLTACPWWSQOERB-XHSDSOJGSA-N 1 3 302.418 2.433 20 0 DEADHO CC(C)CN(C(=O)CN1CCCC2(CC[NH+](C)CC2)C1)C1CC1 ZINC000374073802 404686336 /nfs/dbraw/zinc/68/63/36/404686336.db2.gz DPKMVOGJHOTBHS-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1C[C@H](CN2CCN(CCc3cccs3)CC2)CC[NH2+]1 ZINC000414669512 404704405 /nfs/dbraw/zinc/70/44/05/404704405.db2.gz BNCFPHUSKTVJIC-HZPDHXFCSA-N 1 3 307.507 2.296 20 0 DEADHO CC[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414673221 404704807 /nfs/dbraw/zinc/70/48/07/404704807.db2.gz IVGSPWVYIAGQHI-OAHLLOKOSA-N 1 3 323.868 2.359 20 0 DEADHO CC[N@H+](Cc1cccc(Cl)c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414673221 404704809 /nfs/dbraw/zinc/70/48/09/404704809.db2.gz IVGSPWVYIAGQHI-OAHLLOKOSA-N 1 3 323.868 2.359 20 0 DEADHO CC[C@@H](C)[N@@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414677761 404705823 /nfs/dbraw/zinc/70/58/23/404705823.db2.gz JOFIZMCVLNAPCS-AEFFLSMTSA-N 1 3 317.477 2.484 20 0 DEADHO CC[C@@H](C)[N@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414677761 404705827 /nfs/dbraw/zinc/70/58/27/404705827.db2.gz JOFIZMCVLNAPCS-AEFFLSMTSA-N 1 3 317.477 2.484 20 0 DEADHO CN1CCN(CC[NH2+]C2CCC3(CCCO3)CC2)CC1(C)C ZINC000374231331 404701092 /nfs/dbraw/zinc/70/10/92/404701092.db2.gz QUTWNTNXOBIDAU-UHFFFAOYSA-N 1 3 309.498 2.094 20 0 DEADHO COCCOc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000414792719 404736967 /nfs/dbraw/zinc/73/69/67/404736967.db2.gz CRWXNLOYCYAQRJ-JKSUJKDBSA-N 1 3 322.449 2.328 20 0 DEADHO CCCC[C@H](C[NH3+])N[C@@H](C)Cn1cc(Br)cn1 ZINC000414811486 404740643 /nfs/dbraw/zinc/74/06/43/404740643.db2.gz JFYUUXZYZJOWPZ-CMPLNLGQSA-N 1 3 303.248 2.141 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000353111695 404745530 /nfs/dbraw/zinc/74/55/30/404745530.db2.gz MTHKXPYTDXHMNO-BBWFWOEESA-N 1 3 322.497 2.129 20 0 DEADHO FC(F)Oc1cc2c(cc1CNCC[C@H]1CC[NH2+]C1)OCO2 ZINC000414841497 404745973 /nfs/dbraw/zinc/74/59/73/404745973.db2.gz YBZCZGFNMMDWLN-SNVBAGLBSA-N 1 3 314.332 2.106 20 0 DEADHO C[C@H](CC(=O)NCCc1ccccc1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414918731 404766362 /nfs/dbraw/zinc/76/63/62/404766362.db2.gz VBVGWYJAJFPMJH-APWZRJJASA-N 1 3 317.477 2.103 20 0 DEADHO C[C@H](CC(=O)NCCc1ccccc1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414918731 404766366 /nfs/dbraw/zinc/76/63/66/404766366.db2.gz VBVGWYJAJFPMJH-APWZRJJASA-N 1 3 317.477 2.103 20 0 DEADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(-n2ccnc2)c(F)c1 ZINC000356873947 404713768 /nfs/dbraw/zinc/71/37/68/404713768.db2.gz XDBNXIONFQTQTR-CZUORRHYSA-N 1 3 302.397 2.441 20 0 DEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(-n2ccnc2)c(F)c1 ZINC000356873947 404713770 /nfs/dbraw/zinc/71/37/70/404713770.db2.gz XDBNXIONFQTQTR-CZUORRHYSA-N 1 3 302.397 2.441 20 0 DEADHO COc1ccc(F)c(N2CCN(C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000414752004 404724472 /nfs/dbraw/zinc/72/44/72/404724472.db2.gz BLYGBQWGRDHPNC-LSDHHAIUSA-N 1 3 321.440 2.344 20 0 DEADHO CC[NH+](CC)CCCCNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000358854936 404778034 /nfs/dbraw/zinc/77/80/34/404778034.db2.gz KKPIQQFXKFYZQT-MRXNPFEDSA-N 1 3 309.429 2.106 20 0 DEADHO Cc1cc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1F ZINC000414990904 404782538 /nfs/dbraw/zinc/78/25/38/404782538.db2.gz SARANYUVXXLVAR-AWEZNQCLSA-N 1 3 319.346 2.060 20 0 DEADHO Fc1cccc(Cl)c1CCC[NH2+]C[C@H]1CNCCCO1 ZINC000415042043 404794518 /nfs/dbraw/zinc/79/45/18/404794518.db2.gz QBMMDAOWVIVIBX-LBPRGKRZSA-N 1 3 300.805 2.380 20 0 DEADHO C[N@H+](CCCCc1cccc(C(F)(F)F)c1)C[C@@H](O)CN ZINC000415064593 404798498 /nfs/dbraw/zinc/79/84/98/404798498.db2.gz CXCYDRKHGYMCQK-AWEZNQCLSA-N 1 3 304.356 2.280 20 0 DEADHO C[N@@H+](CCCCc1cccc(C(F)(F)F)c1)C[C@@H](O)CN ZINC000415064593 404798499 /nfs/dbraw/zinc/79/84/99/404798499.db2.gz CXCYDRKHGYMCQK-AWEZNQCLSA-N 1 3 304.356 2.280 20 0 DEADHO CN(CCCCc1cccc(C(F)(F)F)c1)C[C@@H](O)C[NH3+] ZINC000415064593 404798502 /nfs/dbraw/zinc/79/85/02/404798502.db2.gz CXCYDRKHGYMCQK-AWEZNQCLSA-N 1 3 304.356 2.280 20 0 DEADHO CC(C)(C[NH2+]C[C@H]1CCCN(C(=O)CN)C1)Cc1ccccc1 ZINC000415084740 404804201 /nfs/dbraw/zinc/80/42/01/404804201.db2.gz PNALZUBXNRQOCA-QGZVFWFLSA-N 1 3 317.477 2.042 20 0 DEADHO c1sc(CCN[C@H]2CCC[NH2+]CC2)nc1-c1ccccn1 ZINC000415097300 404806430 /nfs/dbraw/zinc/80/64/30/404806430.db2.gz CQMJIVRSBZYKNN-ZDUSSCGKSA-N 1 3 302.447 2.479 20 0 DEADHO CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@H]1CN2CCC[C@H]2CO1 ZINC000360570954 404831012 /nfs/dbraw/zinc/83/10/12/404831012.db2.gz BLKSGFGEJDFRGE-JYJNAYRXSA-N 1 3 310.486 2.178 20 0 DEADHO CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000360570952 404831039 /nfs/dbraw/zinc/83/10/39/404831039.db2.gz BLKSGFGEJDFRGE-ARFHVFGLSA-N 1 3 310.486 2.178 20 0 DEADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000423839725 404884641 /nfs/dbraw/zinc/88/46/41/404884641.db2.gz JSJCFOAQEODOSY-DLBZAZTESA-N 1 3 317.477 2.403 20 0 DEADHO CC(C)[C@@H](C(=O)Nc1cnc2c(c1)C[NH2+]CC2)N1CCCCC1 ZINC000361028820 404885824 /nfs/dbraw/zinc/88/58/24/404885824.db2.gz ITQNODICAKHVDQ-KRWDZBQOSA-N 1 3 316.449 2.176 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000353476008 404840518 /nfs/dbraw/zinc/84/05/18/404840518.db2.gz YSHIEZYERUBDRU-SUMDDJOVSA-N 1 3 315.461 2.328 20 0 DEADHO C[C@H]([NH2+]C1CCN(C2CCCC2)CC1)C(C)(C)n1cncn1 ZINC000377816921 404845262 /nfs/dbraw/zinc/84/52/62/404845262.db2.gz NETWHOGZXHGAMM-AWEZNQCLSA-N 1 3 305.470 2.398 20 0 DEADHO C[C@H](NC1CC[NH+](C2CCCC2)CC1)C(C)(C)n1cncn1 ZINC000377816921 404845264 /nfs/dbraw/zinc/84/52/64/404845264.db2.gz NETWHOGZXHGAMM-AWEZNQCLSA-N 1 3 305.470 2.398 20 0 DEADHO CC[NH2+]Cc1cccc(NC(=O)N(C)CCN2CCCC2)c1 ZINC000415910267 404968919 /nfs/dbraw/zinc/96/89/19/404968919.db2.gz VEFJNPAPHIECKT-UHFFFAOYSA-N 1 3 304.438 2.356 20 0 DEADHO O=C(C[NH2+][C@@H]1CCC[C@@H]1C1CC1)NCCN1CCCCCC1 ZINC000353666999 404909987 /nfs/dbraw/zinc/90/99/87/404909987.db2.gz BFZJZNVHEQORGS-IAGOWNOFSA-N 1 3 307.482 2.147 20 0 DEADHO CCC[C@H]([NH3+])C(=O)N[C@@H](CN1CCCC1)c1ccc(OC)cc1 ZINC000423886178 404911534 /nfs/dbraw/zinc/91/15/34/404911534.db2.gz FBXDDZRYXZPAEG-IRXDYDNUSA-N 1 3 319.449 2.076 20 0 DEADHO C[C@@H]1CCCC[C@@H]1C[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000353674040 404913950 /nfs/dbraw/zinc/91/39/50/404913950.db2.gz RFSSZNBQBXVRDJ-IAGOWNOFSA-N 1 3 309.498 2.395 20 0 DEADHO CC[C@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423909673 404924340 /nfs/dbraw/zinc/92/43/40/404924340.db2.gz UGZRAZKKKNVTNR-SQNIBIBYSA-N 1 3 315.461 2.237 20 0 DEADHO CC[C@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423909673 404924347 /nfs/dbraw/zinc/92/43/47/404924347.db2.gz UGZRAZKKKNVTNR-SQNIBIBYSA-N 1 3 315.461 2.237 20 0 DEADHO CN(C)CCOc1cc(C[NH2+][C@H]2CCC23CCOCC3)ccn1 ZINC000367092301 404927246 /nfs/dbraw/zinc/92/72/46/404927246.db2.gz DSTYDKGMMLRIHH-INIZCTEOSA-N 1 3 319.449 2.071 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N(C)C1CC([NH3+])C1)c1ccccc1 ZINC000416836917 404928876 /nfs/dbraw/zinc/92/88/76/404928876.db2.gz GZTJAAHEPXRNQE-OFLPRAFFSA-N 1 3 318.465 2.201 20 0 DEADHO C[C@H]1NCCN(C(=O)NCC2([NH+](C)C)CCCCCC2)[C@@H]1C ZINC000416855391 404938473 /nfs/dbraw/zinc/93/84/73/404938473.db2.gz YBQQIFOCJISZDE-HUUCEWRRSA-N 1 3 310.486 2.033 20 0 DEADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCNC(C)(C)C3)ccc21 ZINC000415789343 404943628 /nfs/dbraw/zinc/94/36/28/404943628.db2.gz OFBHJPPFBRQFPJ-INIZCTEOSA-N 1 3 316.449 2.451 20 0 DEADHO [NH3+]CCC[C@@H](NC(=O)C1CCN(C2CC2)CC1)c1ccccc1 ZINC000423956230 404945827 /nfs/dbraw/zinc/94/58/27/404945827.db2.gz AHJPGEXMXMGUNW-GOSISDBHSA-N 1 3 315.461 2.457 20 0 DEADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc2c(c1)CNC2 ZINC000416002837 405002235 /nfs/dbraw/zinc/00/22/35/405002235.db2.gz DLJXCUOZMQGFBY-CXAGYDPISA-N 1 3 314.433 2.380 20 0 DEADHO C[C@H]1CN(C(=O)NCCC[N@H+](C)C2CCCCC2)[C@@H](C)CN1 ZINC000417023219 405006201 /nfs/dbraw/zinc/00/62/01/405006201.db2.gz LQOAYYZLOOGKRT-GJZGRUSLSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H]1CN(C(=O)NCCC[N@@H+](C)C2CCCCC2)[C@@H](C)CN1 ZINC000417023219 405006203 /nfs/dbraw/zinc/00/62/03/405006203.db2.gz LQOAYYZLOOGKRT-GJZGRUSLSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H](CNC(=O)C[C@H](c1ccccc1)[NH+](C)C)N(C)C1CC1 ZINC000435926794 405028647 /nfs/dbraw/zinc/02/86/47/405028647.db2.gz KTOBENRIAWRQFK-RHSMWYFYSA-N 1 3 303.450 2.278 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)N1CCNC(C)(C)C1)CC(C)C ZINC000416966900 404980789 /nfs/dbraw/zinc/98/07/89/404980789.db2.gz ZCBHRLSHUNWYHG-HNNXBMFYSA-N 1 3 312.502 2.136 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000424040916 404980819 /nfs/dbraw/zinc/98/08/19/404980819.db2.gz MMAWTVJYLGDKJQ-HOTGVXAUSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](NC[C@@H](O)C[NH+](C)C)[C@H](C)c1nc2ccccc2s1 ZINC000361233383 404985496 /nfs/dbraw/zinc/98/54/96/404985496.db2.gz XDJJJBKJJCTRMA-RWMBFGLXSA-N 1 3 307.463 2.300 20 0 DEADHO C[NH2+]Cc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000415968099 404986916 /nfs/dbraw/zinc/98/69/16/404986916.db2.gz CLMFREBFNBUCNK-CVEARBPZSA-N 1 3 302.422 2.106 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@@H](C)C[NH3+])c1ccsc1 ZINC000417010193 405000440 /nfs/dbraw/zinc/00/04/40/405000440.db2.gz OVBWXVYDGNRSTK-JSGCOSHPSA-N 1 3 312.483 2.120 20 0 DEADHO C[C@H](NC(=O)Nc1ccc2c(c1)CNC2)C(C)(C)C[NH+](C)C ZINC000415995333 405000729 /nfs/dbraw/zinc/00/07/29/405000729.db2.gz KFUCSBHQUDGHKA-LBPRGKRZSA-N 1 3 304.438 2.388 20 0 DEADHO CCC[C@](C)([NH3+])C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424217657 405040551 /nfs/dbraw/zinc/04/05/51/405040551.db2.gz NCECIJZSTPBXBU-SCTDSRPQSA-N 1 3 315.461 2.237 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000389991086 405043158 /nfs/dbraw/zinc/04/31/58/405043158.db2.gz OGECRPAMCWAZPO-UBDQQSCGSA-N 1 3 315.461 2.141 20 0 DEADHO Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@@H](C)CN2CCCC2)c1 ZINC000389969373 405043267 /nfs/dbraw/zinc/04/32/67/405043267.db2.gz RHFYUQHWGDBCKI-QZTJIDSGSA-N 1 3 320.477 2.365 20 0 DEADHO C[C@@H]1CC2(CN1C(=O)c1cccc(CN(C)C)c1)CC[NH2+]CC2 ZINC000424247589 405047113 /nfs/dbraw/zinc/04/71/13/405047113.db2.gz WNAJLJVJKUFEFY-OAHLLOKOSA-N 1 3 315.461 2.352 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416189650 405052839 /nfs/dbraw/zinc/05/28/39/405052839.db2.gz JXEUQJMHNVVPDF-ZTFGCOKTSA-N 1 3 315.461 2.278 20 0 DEADHO C[C@@H]1CC2(CN1CC(=O)N1CCc3ccccc31)CC[NH2+]CC2 ZINC000424285603 405058335 /nfs/dbraw/zinc/05/83/35/405058335.db2.gz GBILFWZNVJXIDI-OAHLLOKOSA-N 1 3 313.445 2.040 20 0 DEADHO CC(C)CN(C(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)C(C)C ZINC000424301208 405063585 /nfs/dbraw/zinc/06/35/85/405063585.db2.gz XJYKEYANEYISGA-MRXNPFEDSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2C[C@H](C)NC[C@@H]2C)C1 ZINC000417224676 405068769 /nfs/dbraw/zinc/06/87/69/405068769.db2.gz VPEZWQJCPSJWPD-FZKCQIBNSA-N 1 3 324.513 2.135 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2C[C@H](C)NC[C@@H]2C)C1 ZINC000417224676 405068772 /nfs/dbraw/zinc/06/87/72/405068772.db2.gz VPEZWQJCPSJWPD-FZKCQIBNSA-N 1 3 324.513 2.135 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000361426581 405070444 /nfs/dbraw/zinc/07/04/44/405070444.db2.gz SQQTZVHLTMUFIY-SJORKVTESA-N 1 3 324.513 2.425 20 0 DEADHO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000417578016 405092793 /nfs/dbraw/zinc/09/27/93/405092793.db2.gz KGYYMHBRVPSTFG-DOTOQJQBSA-N 1 3 320.481 2.180 20 0 DEADHO COC(=O)N1CCC(C[NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000367710781 405132531 /nfs/dbraw/zinc/13/25/31/405132531.db2.gz YUTGRAUERXXWER-UHFFFAOYSA-N 1 3 323.481 2.461 20 0 DEADHO C[C@@H](CC[NH3+])NC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000418162012 405114102 /nfs/dbraw/zinc/11/41/02/405114102.db2.gz FEDDYGJSWCGEOR-HNNXBMFYSA-N 1 3 310.486 2.069 20 0 DEADHO C[NH2+]C[C@H](C)CNC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000418161585 405114679 /nfs/dbraw/zinc/11/46/79/405114679.db2.gz BYZKPYZIWQMSKE-LXZKKBNFSA-N 1 3 320.481 2.141 20 0 DEADHO CN(CC1CCN(C)CC1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361524109 405115266 /nfs/dbraw/zinc/11/52/66/405115266.db2.gz JABCJDMIUXPZQY-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CN(CC1CCN(C)CC1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361524109 405115268 /nfs/dbraw/zinc/11/52/68/405115268.db2.gz JABCJDMIUXPZQY-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000418235087 405118949 /nfs/dbraw/zinc/11/89/49/405118949.db2.gz JYUQNZHADZOVRW-JKSUJKDBSA-N 1 3 310.486 2.020 20 0 DEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000361541719 405121777 /nfs/dbraw/zinc/12/17/77/405121777.db2.gz SBTFDJUZXRKOMH-HZPDHXFCSA-N 1 3 322.497 2.201 20 0 DEADHO CC(C)[C@H](C(=O)NC1CC[NH+](C(C)C)CC1)N1CCCCC1 ZINC000354325661 405159467 /nfs/dbraw/zinc/15/94/67/405159467.db2.gz WOJSMCQWBSGZGQ-QGZVFWFLSA-N 1 3 309.498 2.486 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]CC2(N(C)C)CCC2)[C@H](C)C1 ZINC000437105968 405184700 /nfs/dbraw/zinc/18/47/00/405184700.db2.gz UJHPXRSNSUWSQX-SJORKVTESA-N 1 3 311.514 2.197 20 0 DEADHO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC(C[NH+](C)C)CC1 ZINC000354389068 405188706 /nfs/dbraw/zinc/18/87/06/405188706.db2.gz OVBHWXJWESQKGN-OWCLPIDISA-N 1 3 309.498 2.153 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418764305 405197385 /nfs/dbraw/zinc/19/73/85/405197385.db2.gz JAPPEJWAUXTJFN-QGZVFWFLSA-N 1 3 324.513 2.426 20 0 DEADHO C[C@@H]1CN(CC2CC[NH+](CC[C@@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000437701445 405215396 /nfs/dbraw/zinc/21/53/96/405215396.db2.gz OLVYZRAESSCIKD-JFIYKMOQSA-N 1 3 310.482 2.234 20 0 DEADHO CC[C@@H]([NH3+])CNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000418699445 405171730 /nfs/dbraw/zinc/17/17/30/405171730.db2.gz ASHKPTUJAADLIR-DOTOQJQBSA-N 1 3 318.465 2.030 20 0 DEADHO CCC[C@H](O)[C@H](CO)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000419806364 405266495 /nfs/dbraw/zinc/26/64/95/405266495.db2.gz FGXLVTNIPVPDLZ-YSHGAJCASA-N 1 3 320.477 2.151 20 0 DEADHO CCC[C@H](O)[C@H](CO)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000419806364 405266498 /nfs/dbraw/zinc/26/64/98/405266498.db2.gz FGXLVTNIPVPDLZ-YSHGAJCASA-N 1 3 320.477 2.151 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cncn1C(C)C ZINC000425375631 405283308 /nfs/dbraw/zinc/28/33/08/405283308.db2.gz CZFQABODRCCXRT-KRWDZBQOSA-N 1 3 321.513 2.312 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cncn1C(C)C ZINC000425375631 405283311 /nfs/dbraw/zinc/28/33/11/405283311.db2.gz CZFQABODRCCXRT-KRWDZBQOSA-N 1 3 321.513 2.312 20 0 DEADHO CCSCC[C@@H](C)[N@H+](C)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420299818 405310676 /nfs/dbraw/zinc/31/06/76/405310676.db2.gz JKBOWXAREFFXCL-PVAVHDDUSA-N 1 3 310.507 2.381 20 0 DEADHO CCSCC[C@@H](C)[N@@H+](C)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420299818 405310679 /nfs/dbraw/zinc/31/06/79/405310679.db2.gz JKBOWXAREFFXCL-PVAVHDDUSA-N 1 3 310.507 2.381 20 0 DEADHO CCSCC[C@@H](C)N(C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420299818 405310682 /nfs/dbraw/zinc/31/06/82/405310682.db2.gz JKBOWXAREFFXCL-PVAVHDDUSA-N 1 3 310.507 2.381 20 0 DEADHO O=C(c1ccccc1)N1CCCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420299015 405310859 /nfs/dbraw/zinc/31/08/59/405310859.db2.gz GAQQALQKPQEWLD-KRWDZBQOSA-N 1 3 315.461 2.224 20 0 DEADHO CCOc1ccccc1NC(=O)CCN1C[C@@H](C[NH3+])C[C@H]1C ZINC000420306358 405313203 /nfs/dbraw/zinc/31/32/03/405313203.db2.gz AJYBHCDAHHZXLR-ZIAGYGMSSA-N 1 3 305.422 2.083 20 0 DEADHO C[C@@H](CNC(=O)N[C@H](CN1CCCC1)c1ccccc1)[NH+](C)C ZINC000454235761 405315156 /nfs/dbraw/zinc/31/51/56/405315156.db2.gz HDVQKTKUORQKGM-DOTOQJQBSA-N 1 3 318.465 2.073 20 0 DEADHO CCN(CC[C@@H]1CCC[NH2+]C1)CC(=O)NCc1ccc(F)cc1 ZINC000420317710 405316780 /nfs/dbraw/zinc/31/67/80/405316780.db2.gz NUIFTHDDMNXCCX-HNNXBMFYSA-N 1 3 321.440 2.154 20 0 DEADHO CCOc1ccccc1NC(=O)CCN(C)[C@H]1CCC[NH2+]CC1 ZINC000420319232 405318034 /nfs/dbraw/zinc/31/80/34/405318034.db2.gz XOFWHLFYTWOTBC-HNNXBMFYSA-N 1 3 319.449 2.488 20 0 DEADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000420320421 405318597 /nfs/dbraw/zinc/31/85/97/405318597.db2.gz QFEQCKWULIMQLM-CVEARBPZSA-N 1 3 314.433 2.340 20 0 DEADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000420320421 405318600 /nfs/dbraw/zinc/31/86/00/405318600.db2.gz QFEQCKWULIMQLM-CVEARBPZSA-N 1 3 314.433 2.340 20 0 DEADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000420320421 405318602 /nfs/dbraw/zinc/31/86/02/405318602.db2.gz QFEQCKWULIMQLM-CVEARBPZSA-N 1 3 314.433 2.340 20 0 DEADHO CC[C@@H](F)CN1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000440691055 405322824 /nfs/dbraw/zinc/32/28/24/405322824.db2.gz HTFCXVAMGARPQW-MRXNPFEDSA-N 1 3 315.477 2.295 20 0 DEADHO C[C@H](C(=O)N(C)C1CCCCC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420344193 405327327 /nfs/dbraw/zinc/32/73/27/405327327.db2.gz SPBNWPXEIWKYTA-OAGGEKHMSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](NC(=O)[C@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000420347313 405328205 /nfs/dbraw/zinc/32/82/05/405328205.db2.gz YAESBKMACFOAGX-UOVPBQLFSA-N 1 3 315.461 2.184 20 0 DEADHO CCN1C[C@H](C)N(C[C@@H](C[NH3+])c2ccc(OC)cc2)C[C@H]1C ZINC000420363066 405332129 /nfs/dbraw/zinc/33/21/29/405332129.db2.gz OXIPIIUYOBICGP-HLLBOEOZSA-N 1 3 305.466 2.152 20 0 DEADHO Clc1ccc(C2CCN(CCN3CC[NH2+]CC3)CC2)cc1 ZINC000420362062 405332286 /nfs/dbraw/zinc/33/22/86/405332286.db2.gz NYCVBYGJPHHXEO-UHFFFAOYSA-N 1 3 307.869 2.425 20 0 DEADHO CC1(C)CNCC[C@H]1[NH2+]CCCOc1ccc2c(c1)OCO2 ZINC000420364362 405332864 /nfs/dbraw/zinc/33/28/64/405332864.db2.gz OUDABPKWYVJMEZ-MRXNPFEDSA-N 1 3 306.406 2.162 20 0 DEADHO CC1(C)C[NH2+]CC[C@H]1NCCCOc1ccc2c(c1)OCO2 ZINC000420364362 405332866 /nfs/dbraw/zinc/33/28/66/405332866.db2.gz OUDABPKWYVJMEZ-MRXNPFEDSA-N 1 3 306.406 2.162 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000440206574 405306136 /nfs/dbraw/zinc/30/61/36/405306136.db2.gz LSJLWFKQBNBCRA-CVEARBPZSA-N 1 3 312.502 2.231 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000440206574 405306139 /nfs/dbraw/zinc/30/61/39/405306139.db2.gz LSJLWFKQBNBCRA-CVEARBPZSA-N 1 3 312.502 2.231 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1CC[NH+](C2CC2)CC1)N1CCCCC1 ZINC000446453558 405382348 /nfs/dbraw/zinc/38/23/48/405382348.db2.gz QGMWEJJLLXTCBC-SFHVURJKSA-N 1 3 321.509 2.488 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)C[C@@H]1CCCN1C ZINC000420785916 405383783 /nfs/dbraw/zinc/38/37/83/405383783.db2.gz IQJIOIHJDXTPKJ-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(C)C[C@@H]1CCCN1C ZINC000420785916 405383784 /nfs/dbraw/zinc/38/37/84/405383784.db2.gz IQJIOIHJDXTPKJ-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO C[NH+](C)[C@H](CNC(=O)[C@H]1CCCCN1C1CCCC1)C1CC1 ZINC000448750604 405443794 /nfs/dbraw/zinc/44/37/94/405443794.db2.gz QJLXVTQYEPSMPX-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)NCc2ccc(F)cc2)CC1 ZINC000430556546 405456654 /nfs/dbraw/zinc/45/66/54/405456654.db2.gz UTCIGPWXJDPCRT-AWEZNQCLSA-N 1 3 321.440 2.152 20 0 DEADHO CC1CCC(N(C(=O)CN2CCC(C[NH3+])CC2)C2CC2)CC1 ZINC000430603575 405465351 /nfs/dbraw/zinc/46/53/51/405465351.db2.gz KQPNSPFNPHTNAK-UHFFFAOYSA-N 1 3 307.482 2.227 20 0 DEADHO CC[C@@H](C)[C@H](C[NH2+]C1CCN(C2CCN(C)CC2)CC1)OC ZINC000638459235 405482572 /nfs/dbraw/zinc/48/25/72/405482572.db2.gz JHKCVKXLYPIZGI-QAPCUYQASA-N 1 3 311.514 2.196 20 0 DEADHO [NH3+]CC1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000430663897 405483142 /nfs/dbraw/zinc/48/31/42/405483142.db2.gz KMEHABHHWCIEBW-UHFFFAOYSA-N 1 3 315.461 2.483 20 0 DEADHO C[C@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCCC[C@@H]1C ZINC000430764449 405502767 /nfs/dbraw/zinc/50/27/67/405502767.db2.gz SCFXAYDVATVLQO-BFZKSOEOSA-N 1 3 307.482 2.286 20 0 DEADHO C[C@H](C[NH2+]CC1=CCN(C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449247998 405521151 /nfs/dbraw/zinc/52/11/51/405521151.db2.gz HDDHRMGKBCDVBB-CQSZACIVSA-N 1 3 322.474 2.045 20 0 DEADHO C[C@@H]([NH3+])C1CCN([C@H](C)C(=O)N2CCc3sccc3C2)CC1 ZINC000430936334 405535592 /nfs/dbraw/zinc/53/55/92/405535592.db2.gz UIVJBABWKHKXRH-CHWSQXEVSA-N 1 3 321.490 2.081 20 0 DEADHO C[C@@H](CC(=O)N1CCCc2cccc(CN)c21)[C@H]1CCC[NH2+]C1 ZINC000638546443 405541236 /nfs/dbraw/zinc/54/12/36/405541236.db2.gz DXYCWCROTBXNML-YOEHRIQHSA-N 1 3 315.461 2.450 20 0 DEADHO C[C@@H](C(=O)NC1CCC(C)CC1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431041519 405566033 /nfs/dbraw/zinc/56/60/33/405566033.db2.gz VKXMSGUQIKYFDI-PCKAHOCUSA-N 1 3 307.482 2.145 20 0 DEADHO CCc1ccc(CN(C)C(=O)CN2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000430964478 405549891 /nfs/dbraw/zinc/54/98/91/405549891.db2.gz ZEHFNGDJMKHCGP-OAHLLOKOSA-N 1 3 317.477 2.267 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(CO)cc2)C[C@H](C)O1 ZINC000638682233 405615393 /nfs/dbraw/zinc/61/53/93/405615393.db2.gz UIQWOKVVQPLGFG-IYBDPMFKSA-N 1 3 306.450 2.158 20 0 DEADHO C[C@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1Cc1ccccc1 ZINC000635934484 405616866 /nfs/dbraw/zinc/61/68/66/405616866.db2.gz CKHSSQAFSYWQQA-RDJZCZTQSA-N 1 3 315.461 2.107 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000557232565 405589224 /nfs/dbraw/zinc/58/92/24/405589224.db2.gz AEFJLOVOHNHMOA-ZACQAIPSSA-N 1 3 322.497 2.164 20 0 DEADHO CNC(=O)C[C@H](C)NCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000449606405 405638080 /nfs/dbraw/zinc/63/80/80/405638080.db2.gz YSLZJFFRGQSZKE-HNNXBMFYSA-N 1 3 305.466 2.259 20 0 DEADHO CNC(=O)C[C@H](C)NCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000449606405 405638089 /nfs/dbraw/zinc/63/80/89/405638089.db2.gz YSLZJFFRGQSZKE-HNNXBMFYSA-N 1 3 305.466 2.259 20 0 DEADHO CO[C@H](CNC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)CC(C)C ZINC000638747111 405647714 /nfs/dbraw/zinc/64/77/14/405647714.db2.gz AONSIQARFWGFRY-BZSNNMDCSA-N 1 3 312.498 2.405 20 0 DEADHO CN(C)C(=O)[C@@H]1CCC[C@H](N[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000422745146 405678995 /nfs/dbraw/zinc/67/89/95/405678995.db2.gz UPGSUFWFGUNMMQ-GFOFROLCSA-N 1 3 301.434 2.368 20 0 DEADHO COCC(C)(C)C[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000494190634 405658252 /nfs/dbraw/zinc/65/82/52/405658252.db2.gz CKZLJZGZUIMPSE-QGZVFWFLSA-N 1 3 306.450 2.015 20 0 DEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(C)CC[C@@H]1C ZINC000458939247 405663520 /nfs/dbraw/zinc/66/35/20/405663520.db2.gz PTZDGUVYTPOHRD-IRXDYDNUSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422246477 405667155 /nfs/dbraw/zinc/66/71/55/405667155.db2.gz SIMYUNPFXQJYCS-ODIFPOPNSA-N 1 3 324.513 2.231 20 0 DEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](CO)c1ccc(F)cc1 ZINC000423177320 405711793 /nfs/dbraw/zinc/71/17/93/405711793.db2.gz HCRSXMIQCSPQNZ-YJLNNSPDSA-N 1 3 316.420 2.450 20 0 DEADHO Fc1cccc2c1SCC[C@@H]2NCCCN1CC[NH2+]CC1 ZINC000423174590 405712301 /nfs/dbraw/zinc/71/23/01/405712301.db2.gz BFQNNXZEKMCPRJ-HNNXBMFYSA-N 1 3 309.454 2.248 20 0 DEADHO CO[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000423139707 405704571 /nfs/dbraw/zinc/70/45/71/405704571.db2.gz WLGGJKUVPSOWEJ-CGTJXYLNSA-N 1 3 302.418 2.257 20 0 DEADHO C[C@@H](CNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)N(C)C ZINC000459033507 405706630 /nfs/dbraw/zinc/70/66/30/405706630.db2.gz BRIZAENGYDCNHM-IKGGRYGDSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](CNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)N(C)C ZINC000459033507 405706636 /nfs/dbraw/zinc/70/66/36/405706636.db2.gz BRIZAENGYDCNHM-IKGGRYGDSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H](NCCN1CC[NH2+]CC1)c1ccccc1Br ZINC000423199596 405719477 /nfs/dbraw/zinc/71/94/77/405719477.db2.gz CBIFHCIKILOOBI-LBPRGKRZSA-N 1 3 312.255 2.005 20 0 DEADHO CN(C)CCOc1ccc(CC[NH2+]Cc2cncc(F)c2)cc1 ZINC000494615891 405728187 /nfs/dbraw/zinc/72/81/87/405728187.db2.gz XKEJNCWZONOYBW-UHFFFAOYSA-N 1 3 317.408 2.493 20 0 DEADHO C[C@H](Cc1ccc(Br)c(F)c1)NCC1C[NH2+]C1 ZINC000423307091 405753408 /nfs/dbraw/zinc/75/34/08/405753408.db2.gz VHOJXNJUOBSJIM-SECBINFHSA-N 1 3 301.203 2.328 20 0 DEADHO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CC1CNC1 ZINC000423307091 405753418 /nfs/dbraw/zinc/75/34/18/405753418.db2.gz VHOJXNJUOBSJIM-SECBINFHSA-N 1 3 301.203 2.328 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2NCCCC2(C)C)C1 ZINC000423316428 405757658 /nfs/dbraw/zinc/75/76/58/405757658.db2.gz ATNTVIJECVUJOI-CVEARBPZSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2NCCCC2(C)C)C1 ZINC000423316428 405757665 /nfs/dbraw/zinc/75/76/65/405757665.db2.gz ATNTVIJECVUJOI-CVEARBPZSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H]2CN2CCCC2)cc1 ZINC000423359338 405776356 /nfs/dbraw/zinc/77/63/56/405776356.db2.gz OXCRYBGMXWQXDW-WMLDXEAASA-N 1 3 301.434 2.407 20 0 DEADHO FC(F)(F)[C@H](CN[C@H]1CCc2ccccc21)N1CC[NH2+]CC1 ZINC000423392313 405786124 /nfs/dbraw/zinc/78/61/24/405786124.db2.gz QBYKMKRMTATZSB-GJZGRUSLSA-N 1 3 313.367 2.100 20 0 DEADHO C[C@@H](CN)[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000423406321 405792153 /nfs/dbraw/zinc/79/21/53/405792153.db2.gz UQJOOVWMDJMWQV-YUMQZZPRSA-N 1 3 322.165 2.428 20 0 DEADHO C[NH2+]CCc1ccccc1C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000423405662 405792398 /nfs/dbraw/zinc/79/23/98/405792398.db2.gz ZYZRRJRQRYMDOR-HOTGVXAUSA-N 1 3 317.477 2.441 20 0 DEADHO N[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CCC1 ZINC000423403032 405792528 /nfs/dbraw/zinc/79/25/28/405792528.db2.gz XYQHGCIQPZFYSP-NVXWUHKLSA-N 1 3 307.482 2.228 20 0 DEADHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000423426647 405802894 /nfs/dbraw/zinc/80/28/94/405802894.db2.gz NERYPOKAFBXGOY-OIISXLGYSA-N 1 3 315.461 2.408 20 0 DEADHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000423426647 405802901 /nfs/dbraw/zinc/80/29/01/405802901.db2.gz NERYPOKAFBXGOY-OIISXLGYSA-N 1 3 315.461 2.408 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423438038 405806487 /nfs/dbraw/zinc/80/64/87/405806487.db2.gz UVYJIMGDAKCKQC-COXVUDFISA-N 1 3 315.461 2.312 20 0 DEADHO CC[C@](CN[C@H]1CCC[C@@H]([NH3+])C1)(C(=O)OC)c1ccccc1 ZINC000584004594 405807730 /nfs/dbraw/zinc/80/77/30/405807730.db2.gz POLBPJDQJVHXOJ-SOLBZPMBSA-N 1 3 304.434 2.367 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC000636204691 405813340 /nfs/dbraw/zinc/81/33/40/405813340.db2.gz PNBMLELLWOEYCU-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000639002191 405814994 /nfs/dbraw/zinc/81/49/94/405814994.db2.gz ZRGXLEKXLMPPCQ-QZTJIDSGSA-N 1 3 315.461 2.075 20 0 DEADHO C[C@@H]([NH2+]CCc1cncn1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000530513143 405816753 /nfs/dbraw/zinc/81/67/53/405816753.db2.gz JUOIMSMLOJIZGW-SJLPKXTDSA-N 1 3 312.461 2.463 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H](N)c1ccccc1 ZINC000423348428 405770328 /nfs/dbraw/zinc/77/03/28/405770328.db2.gz TVJSPCOTPBKWLB-IKGGRYGDSA-N 1 3 315.461 2.456 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H](N)c1ccccc1 ZINC000423348428 405770331 /nfs/dbraw/zinc/77/03/31/405770331.db2.gz TVJSPCOTPBKWLB-IKGGRYGDSA-N 1 3 315.461 2.456 20 0 DEADHO COc1ccccc1NC(=O)C[C@@H](C)NCC[C@H]1CCC[NH2+]1 ZINC000423355005 405775191 /nfs/dbraw/zinc/77/51/91/405775191.db2.gz DPPIXLFQFABEFM-ZIAGYGMSSA-N 1 3 305.422 2.144 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H](C[NH3+])C(C)C)c1ccsc1 ZINC000433157717 405882565 /nfs/dbraw/zinc/88/25/65/405882565.db2.gz NPUVHMGXVNIPTH-HUUCEWRRSA-N 1 3 311.495 2.478 20 0 DEADHO CN(CC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)CC(C)(C)C ZINC000636239134 405831954 /nfs/dbraw/zinc/83/19/54/405831954.db2.gz YVWMSTUCRVWATA-MRXNPFEDSA-N 1 3 309.498 2.203 20 0 DEADHO CN(CC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)CC(C)(C)C ZINC000636239134 405831963 /nfs/dbraw/zinc/83/19/63/405831963.db2.gz YVWMSTUCRVWATA-MRXNPFEDSA-N 1 3 309.498 2.203 20 0 DEADHO Cc1ccc([C@H](CCn2cncn2)[NH2+]CCCNC2CC2)cc1 ZINC000423548584 405852392 /nfs/dbraw/zinc/85/23/92/405852392.db2.gz GVSJXAUNCBWKSR-SFHVURJKSA-N 1 3 313.449 2.450 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H](N)c1ccccc1 ZINC000423789582 405966964 /nfs/dbraw/zinc/96/69/64/405966964.db2.gz AZFQAGOAFCRNMB-IAGOWNOFSA-N 1 3 303.450 2.313 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H](N)c1ccccc1 ZINC000423789582 405966965 /nfs/dbraw/zinc/96/69/65/405966965.db2.gz AZFQAGOAFCRNMB-IAGOWNOFSA-N 1 3 303.450 2.313 20 0 DEADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C[C@H]1CCC[NH2+]1 ZINC000423736925 405936781 /nfs/dbraw/zinc/93/67/81/405936781.db2.gz CFYRVLJWCWRSKR-MRXNPFEDSA-N 1 3 323.868 2.372 20 0 DEADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000423749254 405944566 /nfs/dbraw/zinc/94/45/66/405944566.db2.gz RJJWKRGESFHXOL-HOCLYGCPSA-N 1 3 323.868 2.358 20 0 DEADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000423749256 405944597 /nfs/dbraw/zinc/94/45/97/405944597.db2.gz RJJWKRGESFHXOL-ZBFHGGJFSA-N 1 3 323.868 2.358 20 0 DEADHO C[C@@](C[NH3+])(NCCC(=O)N[C@@H]1CCCc2ccccc21)C1CC1 ZINC000433503744 405955522 /nfs/dbraw/zinc/95/55/22/405955522.db2.gz SHUAGOIQRGULEK-MJGOQNOKSA-N 1 3 315.461 2.287 20 0 DEADHO CN(C)C[C@H](NC(=O)[C@H]1C[C@]12CC[NH2+]C2)c1ccc(Cl)cc1 ZINC000423773049 405956100 /nfs/dbraw/zinc/95/61/00/405956100.db2.gz MAAKUUKFUIOZFP-VYDXJSESSA-N 1 3 321.852 2.059 20 0 DEADHO CN(C)C[C@H](NC(=O)[C@@H]1C[C@]12CC[NH2+]C2)c1ccc(Cl)cc1 ZINC000423773051 405957091 /nfs/dbraw/zinc/95/70/91/405957091.db2.gz MAAKUUKFUIOZFP-ZOBUZTSGSA-N 1 3 321.852 2.059 20 0 DEADHO C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)[C@H](N)c1ccccc1 ZINC000423775108 405958407 /nfs/dbraw/zinc/95/84/07/405958407.db2.gz LXQDLXXJHZFYNV-JHNDHUHGSA-N 1 3 303.450 2.121 20 0 DEADHO C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)[C@H](N)c1ccccc1 ZINC000423775108 405958415 /nfs/dbraw/zinc/95/84/15/405958415.db2.gz LXQDLXXJHZFYNV-JHNDHUHGSA-N 1 3 303.450 2.121 20 0 DEADHO CN(C)C[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423779222 405961329 /nfs/dbraw/zinc/96/13/29/405961329.db2.gz UYHSMNCAXCAOBH-UKRRQHHQSA-N 1 3 309.841 2.059 20 0 DEADHO CO[C@H](CNCCC[N@@H+]1CCCO[C@@H](C)C1)Cc1ccccc1 ZINC000639121235 405900216 /nfs/dbraw/zinc/90/02/16/405900216.db2.gz OBRXAHMVFRIMGZ-HKUYNNGSSA-N 1 3 320.477 2.335 20 0 DEADHO CO[C@H](CNCCC[N@H+]1CCCO[C@@H](C)C1)Cc1ccccc1 ZINC000639121235 405900217 /nfs/dbraw/zinc/90/02/17/405900217.db2.gz OBRXAHMVFRIMGZ-HKUYNNGSSA-N 1 3 320.477 2.335 20 0 DEADHO CN(C)[C@H](CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000433230857 405903649 /nfs/dbraw/zinc/90/36/49/405903649.db2.gz WBXCHNXKBBAHDU-OKZBNKHCSA-N 1 3 315.461 2.422 20 0 DEADHO CN(C)[C@H](CC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000433230857 405903653 /nfs/dbraw/zinc/90/36/53/405903653.db2.gz WBXCHNXKBBAHDU-OKZBNKHCSA-N 1 3 315.461 2.422 20 0 DEADHO CN(C)CCNC(=O)c1ccc(C[NH2+]C2CC3(CCC3)C2)cc1 ZINC000459478661 405923337 /nfs/dbraw/zinc/92/33/37/405923337.db2.gz NBHHZCVUMMLEAA-UHFFFAOYSA-N 1 3 315.461 2.400 20 0 DEADHO CC(C)[C@@H]([NH3+])CNC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496389171 405973758 /nfs/dbraw/zinc/97/37/58/405973758.db2.gz WRGULFWDOLMTAG-KRWDZBQOSA-N 1 3 319.449 2.361 20 0 DEADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000531733715 405999426 /nfs/dbraw/zinc/99/94/26/405999426.db2.gz MFIZCGAZIHSOPL-NQBHXWOUSA-N 1 3 304.360 2.264 20 0 DEADHO C[C@@H](CC(=O)NCCc1ccccc1)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000532530991 406083738 /nfs/dbraw/zinc/08/37/38/406083738.db2.gz AZYVNWGDSRZWNY-SJORKVTESA-N 1 3 317.477 2.055 20 0 DEADHO C[C@@H](CC(=O)NCCc1ccccc1)NCC[N@H+]1CC[C@@H](C)C1 ZINC000532530991 406083741 /nfs/dbraw/zinc/08/37/41/406083741.db2.gz AZYVNWGDSRZWNY-SJORKVTESA-N 1 3 317.477 2.055 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C1)[NH+](C)C ZINC000634276091 406077868 /nfs/dbraw/zinc/07/78/68/406077868.db2.gz WKWYUXWUYLTOCD-SJORKVTESA-N 1 3 303.450 2.026 20 0 DEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC1CCN(c2cccnn2)CC1 ZINC000567639701 406111084 /nfs/dbraw/zinc/11/10/84/406111084.db2.gz LYKVRCZGKGLKBJ-WBVHZDCISA-N 1 3 317.481 2.346 20 0 DEADHO CCc1cc(N2CCC[C@@H]([NH2+][C@H](C)[C@@H]3CCCCN3)C2)ncn1 ZINC000567647060 406112357 /nfs/dbraw/zinc/11/23/57/406112357.db2.gz PQIKMOZDMFFKEC-OIISXLGYSA-N 1 3 317.481 2.128 20 0 DEADHO COCCOCCN1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471833687 406122022 /nfs/dbraw/zinc/12/20/22/406122022.db2.gz LFLITOWHGSHKFZ-OALUTQOASA-N 1 3 320.477 2.322 20 0 DEADHO CCC[NH+]1CCC(CNC(=O)C[C@@H](N)Cc2ccccc2)CC1 ZINC000567785044 406138462 /nfs/dbraw/zinc/13/84/62/406138462.db2.gz TWLKHSGMPYZNCE-SFHVURJKSA-N 1 3 317.477 2.185 20 0 DEADHO FC(F)(F)CN1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000518513983 406142494 /nfs/dbraw/zinc/14/24/94/406142494.db2.gz BVZOYZKKBNCCFB-REWJHTLYSA-N 1 3 305.388 2.133 20 0 DEADHO [NH3+][C@@H](CCC(=O)NC[C@@H]1NCCc2ccccc21)c1ccccc1 ZINC000567871723 406151578 /nfs/dbraw/zinc/15/15/78/406151578.db2.gz JTKZHYRQTZUAOT-OALUTQOASA-N 1 3 323.440 2.470 20 0 DEADHO CC[C@@H](C)N[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1C)c1ccco1 ZINC000637139432 406188266 /nfs/dbraw/zinc/18/82/66/406188266.db2.gz KRYQDJYBLLVMML-KFWWJZLASA-N 1 3 322.453 2.102 20 0 DEADHO CC[C@@H](C)N[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1C)c1ccco1 ZINC000637139432 406188269 /nfs/dbraw/zinc/18/82/69/406188269.db2.gz KRYQDJYBLLVMML-KFWWJZLASA-N 1 3 322.453 2.102 20 0 DEADHO CCOC1CCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634643500 406205822 /nfs/dbraw/zinc/20/58/22/406205822.db2.gz CRNJDRUURAVBNS-IBGZPJMESA-N 1 3 318.461 2.124 20 0 DEADHO CCOC1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634643500 406205824 /nfs/dbraw/zinc/20/58/24/406205824.db2.gz CRNJDRUURAVBNS-IBGZPJMESA-N 1 3 318.461 2.124 20 0 DEADHO COC(=O)c1cc2c(o1)c(OC)ccc2CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000519606039 406220482 /nfs/dbraw/zinc/22/04/82/406220482.db2.gz JXIBVXBFJSUZGJ-MNOVXSKESA-N 1 3 320.389 2.443 20 0 DEADHO Cc1ccc(CCNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000634699084 406230947 /nfs/dbraw/zinc/23/09/47/406230947.db2.gz FFDAZAZOAKCTMQ-LJQANCHMSA-N 1 3 314.429 2.357 20 0 DEADHO Cc1ccc(CCNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000634699084 406230950 /nfs/dbraw/zinc/23/09/50/406230950.db2.gz FFDAZAZOAKCTMQ-LJQANCHMSA-N 1 3 314.429 2.357 20 0 DEADHO C[N@H+](C[C@@H](O)CNCC1(c2ccc(Cl)cc2)CC1)C1CC1 ZINC000519696731 406236208 /nfs/dbraw/zinc/23/62/08/406236208.db2.gz COTCVTCWLRTHOG-INIZCTEOSA-N 1 3 308.853 2.416 20 0 DEADHO C[N@@H+](C[C@@H](O)CNCC1(c2ccc(Cl)cc2)CC1)C1CC1 ZINC000519696731 406236213 /nfs/dbraw/zinc/23/62/13/406236213.db2.gz COTCVTCWLRTHOG-INIZCTEOSA-N 1 3 308.853 2.416 20 0 DEADHO C[C@@H](C1CC1)N(C(=O)CN1CCC2(C1)CC[NH+](C)CC2)C1CC1 ZINC000639758044 406238371 /nfs/dbraw/zinc/23/83/71/406238371.db2.gz OUJIZFAWCVOUDQ-HNNXBMFYSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000568999249 292383116 /nfs/dbraw/zinc/38/31/16/292383116.db2.gz VTUXFACGGFLEDQ-YXWQFLTLSA-N 1 3 306.454 2.103 20 0 DEADHO CCOc1c(Cl)cccc1CNCCOCC[NH+](C)C ZINC000487568338 406247662 /nfs/dbraw/zinc/24/76/62/406247662.db2.gz CJWGFRGPZWDRNM-UHFFFAOYSA-N 1 3 300.830 2.407 20 0 DEADHO CN(C)C[C@H]1COC2(CCCC2)CN1CCC[NH+]1CCCCC1 ZINC000639877110 406295104 /nfs/dbraw/zinc/29/51/04/406295104.db2.gz HRYNSOUUSNWVTO-SFHVURJKSA-N 1 3 323.525 2.438 20 0 DEADHO C[NH2+]C[C@@](C)(O)CN1CCC(CCc2ccc(O)cc2)CC1 ZINC000569612035 406279079 /nfs/dbraw/zinc/27/90/79/406279079.db2.gz RCAQOOMGDGFXEP-GOSISDBHSA-N 1 3 306.450 2.007 20 0 DEADHO CNC[C@@](C)(O)C[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000569612035 406279082 /nfs/dbraw/zinc/27/90/82/406279082.db2.gz RCAQOOMGDGFXEP-GOSISDBHSA-N 1 3 306.450 2.007 20 0 DEADHO COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCC[C@H](N)C2)C1 ZINC000569624282 406280752 /nfs/dbraw/zinc/28/07/52/406280752.db2.gz WHNMMBGUYILGJF-OWCLPIDISA-N 1 3 303.450 2.381 20 0 DEADHO N[C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000569702882 406292926 /nfs/dbraw/zinc/29/29/26/406292926.db2.gz MMLSOZJASFFTAU-GUDVDZBRSA-N 1 3 317.477 2.137 20 0 DEADHO O=C(NCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1F ZINC000569919258 406320152 /nfs/dbraw/zinc/32/01/52/406320152.db2.gz UCAOPUXTZZKMBQ-USXIJHARSA-N 1 3 319.424 2.066 20 0 DEADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000637473439 406320596 /nfs/dbraw/zinc/32/05/96/406320596.db2.gz QFJPOIDNHLVSIN-DOTOQJQBSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000488910867 406360539 /nfs/dbraw/zinc/36/05/39/406360539.db2.gz LSDQLLLCAKPKBK-VBQJREDUSA-N 1 3 321.440 2.417 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000488910867 406360542 /nfs/dbraw/zinc/36/05/42/406360542.db2.gz LSDQLLLCAKPKBK-VBQJREDUSA-N 1 3 321.440 2.417 20 0 DEADHO C[N@H+](CCCO)C1CCN(CC2Cc3ccccc3C2)CC1 ZINC000570442204 406393186 /nfs/dbraw/zinc/39/31/86/406393186.db2.gz GPPGQQZUFPGMQD-UHFFFAOYSA-N 1 3 302.462 2.180 20 0 DEADHO C[N@@H+](CCCO)C1CCN(CC2Cc3ccccc3C2)CC1 ZINC000570442204 406393193 /nfs/dbraw/zinc/39/31/93/406393193.db2.gz GPPGQQZUFPGMQD-UHFFFAOYSA-N 1 3 302.462 2.180 20 0 DEADHO CC(C)[C@H](CNC(=O)CCCC[NH3+])N1CCc2ccccc2C1 ZINC000570678734 406425261 /nfs/dbraw/zinc/42/52/61/406425261.db2.gz BGAAJIKXRIMIKF-SFHVURJKSA-N 1 3 317.477 2.315 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N2CCC(C)([NH+]3CCCC3)CC2)CCN1C ZINC000633092779 406379303 /nfs/dbraw/zinc/37/93/03/406379303.db2.gz LXZQXHXDLALRTB-CVEARBPZSA-N 1 3 322.497 2.129 20 0 DEADHO CN[C@@H](C)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000571060308 406473555 /nfs/dbraw/zinc/47/35/55/406473555.db2.gz LNIPNTYTEZGJNS-INIZCTEOSA-N 1 3 315.461 2.109 20 0 DEADHO CN[C@@H](C)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000571060308 406473561 /nfs/dbraw/zinc/47/35/61/406473561.db2.gz LNIPNTYTEZGJNS-INIZCTEOSA-N 1 3 315.461 2.109 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H](C)C[C@@H](C)[NH3+])c1ccco1 ZINC000571082877 406476302 /nfs/dbraw/zinc/47/63/02/406476302.db2.gz WEFVSSFNJLSENO-XJFOESAGSA-N 1 3 310.442 2.134 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000525306528 406484727 /nfs/dbraw/zinc/48/47/27/406484727.db2.gz MCMLYQDTGHTWJZ-GVDBMIGSSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)N1CCC[C@@H](C)C1 ZINC000635301275 406491526 /nfs/dbraw/zinc/49/15/26/406491526.db2.gz WQUWOCPBGNXMMZ-HZPDHXFCSA-N 1 3 307.482 2.099 20 0 DEADHO N[C@H](CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000637831308 406438048 /nfs/dbraw/zinc/43/80/48/406438048.db2.gz BZRWAGKUFSEOMT-RTBURBONSA-N 1 3 323.440 2.325 20 0 DEADHO N[C@H](CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000637831308 406438049 /nfs/dbraw/zinc/43/80/49/406438049.db2.gz BZRWAGKUFSEOMT-RTBURBONSA-N 1 3 323.440 2.325 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C1(C[NH+](C)C)CC1 ZINC000635482218 406556078 /nfs/dbraw/zinc/55/60/78/406556078.db2.gz IXTGFOGDJSIHSC-UHFFFAOYSA-N 1 3 317.477 2.439 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000571773743 406564997 /nfs/dbraw/zinc/56/49/97/406564997.db2.gz DFPMXXIVTNXMCM-QGZVFWFLSA-N 1 3 307.482 2.195 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000571773743 406564999 /nfs/dbraw/zinc/56/49/99/406564999.db2.gz DFPMXXIVTNXMCM-QGZVFWFLSA-N 1 3 307.482 2.195 20 0 DEADHO N[C@H]1CCC[C@@H]([NH2+]CCCC(=O)N2Cc3ccccc3C2)C1 ZINC000571297476 406503250 /nfs/dbraw/zinc/50/32/50/406503250.db2.gz NGVSOTWYDSNRSF-DLBZAZTESA-N 1 3 301.434 2.169 20 0 DEADHO C[NH+](C)CC1(C(=O)N(CCN2CCCC2)c2ccccc2)CC1 ZINC000635594434 406609300 /nfs/dbraw/zinc/60/93/00/406609300.db2.gz IHWMZFAYQWKVRK-UHFFFAOYSA-N 1 3 315.461 2.457 20 0 DEADHO CN(CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)CC(C)(C)C ZINC000635719344 406703457 /nfs/dbraw/zinc/70/34/57/406703457.db2.gz KIEGYTSIOVJFSO-RDJZCZTQSA-N 1 3 321.509 2.440 20 0 DEADHO CN(CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)CC(C)(C)C ZINC000635719344 406703458 /nfs/dbraw/zinc/70/34/58/406703458.db2.gz KIEGYTSIOVJFSO-RDJZCZTQSA-N 1 3 321.509 2.440 20 0 DEADHO CC[NH+](CC)Cc1ccccc1CNC[C@@]1(OC)CCOC1 ZINC000638311733 406691368 /nfs/dbraw/zinc/69/13/68/406691368.db2.gz AYFNREYTIJYCJB-SFHVURJKSA-N 1 3 306.450 2.424 20 0 DEADHO CCC[NH+]1CCC(NC(=O)NC[C@@H]2CCN2C2CCCC2)CC1 ZINC000527643610 406701491 /nfs/dbraw/zinc/70/14/91/406701491.db2.gz UQAVRMAJYQSMLC-KRWDZBQOSA-N 1 3 322.497 2.177 20 0 DEADHO CC[NH+](CC)Cc1cccc(CNC[C@@]2(OC)CCOC2)c1 ZINC000638380986 406737984 /nfs/dbraw/zinc/73/79/84/406737984.db2.gz GLADDSAHHLGQIS-SFHVURJKSA-N 1 3 306.450 2.424 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000553221282 406743441 /nfs/dbraw/zinc/74/34/41/406743441.db2.gz SGICMNHNPAGHBE-KRWDZBQOSA-N 1 3 303.450 2.005 20 0 DEADHO C[C@H]1CCCN(CCNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000553313277 406749107 /nfs/dbraw/zinc/74/91/07/406749107.db2.gz DPAKBZRTMGMHCQ-INIZCTEOSA-N 1 3 317.477 2.252 20 0 DEADHO CN(C)C/C=C\C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000491907103 406772263 /nfs/dbraw/zinc/77/22/63/406772263.db2.gz RADQIQOQKOLVJQ-TWGQIWQCSA-N 1 3 316.449 2.249 20 0 DEADHO C[NH+]1CCC([C@H]2CCN(C(=O)[C@H]3CCN3C3CCCC3)C2)CC1 ZINC000635735957 406716485 /nfs/dbraw/zinc/71/64/85/406716485.db2.gz MTHCUQPOMXOFKE-FUHWJXTLSA-N 1 3 319.493 2.194 20 0 DEADHO C[NH+]1CCC([C@@H]2CCN(C(=O)[C@H]3CCN3C3CCCC3)C2)CC1 ZINC000635735959 406717210 /nfs/dbraw/zinc/71/72/10/406717210.db2.gz MTHCUQPOMXOFKE-SJLPKXTDSA-N 1 3 319.493 2.194 20 0 DEADHO CO[C@H](CNCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C1CCOCC1 ZINC000638371224 406730787 /nfs/dbraw/zinc/73/07/87/406730787.db2.gz JVXNYBPQEOSENW-JFIYKMOQSA-N 1 3 312.498 2.386 20 0 DEADHO CO[C@H](C[NH2+]CCCN1C[C@H](C)C[C@@H](C)C1)C1CCOCC1 ZINC000638371224 406730791 /nfs/dbraw/zinc/73/07/91/406730791.db2.gz JVXNYBPQEOSENW-JFIYKMOQSA-N 1 3 312.498 2.386 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)/C=C\C[NH+](C)C ZINC000491924499 406778321 /nfs/dbraw/zinc/77/83/21/406778321.db2.gz JFISAEHNNUQJIP-CGICMKJESA-N 1 3 315.461 2.227 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2C2CCC2)CC1 ZINC000646137486 406794062 /nfs/dbraw/zinc/79/40/62/406794062.db2.gz IJHHGUCKBDHJHE-QGZVFWFLSA-N 1 3 307.482 2.242 20 0 DEADHO COc1ccc(CN2CC[C@@H]2CN[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000527972366 406802224 /nfs/dbraw/zinc/80/22/24/406802224.db2.gz WPXSSOCDYZGFAC-RYQLBKOJSA-N 1 3 317.477 2.342 20 0 DEADHO COc1ccc(CN2CC[C@@H]2CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000527972366 406802229 /nfs/dbraw/zinc/80/22/29/406802229.db2.gz WPXSSOCDYZGFAC-RYQLBKOJSA-N 1 3 317.477 2.342 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000641035211 406796831 /nfs/dbraw/zinc/79/68/31/406796831.db2.gz ZLUSFXREWSJHQU-MRXNPFEDSA-N 1 3 310.486 2.036 20 0 DEADHO CC[C@H]1CN(C)CCN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000646281709 406834406 /nfs/dbraw/zinc/83/44/06/406834406.db2.gz SHJXFKCCPNVAMX-KRWDZBQOSA-N 1 3 305.466 2.153 20 0 DEADHO O=C(C[NH2+]CC1CC1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000646409873 406859880 /nfs/dbraw/zinc/85/98/80/406859880.db2.gz BTLKEGNNDMWRHJ-GOSISDBHSA-N 1 3 315.461 2.329 20 0 DEADHO O=C(C[C@@H]1CC[NH2+]C1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000646410133 406860045 /nfs/dbraw/zinc/86/00/45/406860045.db2.gz SYJWYMIMDXDVDO-FUHWJXTLSA-N 1 3 315.461 2.329 20 0 DEADHO Cn1c(C[NH2+]CCCN2CCCN(C)CC2)cc2ccccc21 ZINC000641718509 406878201 /nfs/dbraw/zinc/87/82/01/406878201.db2.gz ZTQXYOZKYSIXFP-UHFFFAOYSA-N 1 3 314.477 2.296 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1ccc2c(c1)CNC2 ZINC000646990470 406936278 /nfs/dbraw/zinc/93/62/78/406936278.db2.gz JCUIMJVYQMTISR-QGZVFWFLSA-N 1 3 301.434 2.171 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1ccc2c(c1)CNC2 ZINC000646990470 406936281 /nfs/dbraw/zinc/93/62/81/406936281.db2.gz JCUIMJVYQMTISR-QGZVFWFLSA-N 1 3 301.434 2.171 20 0 DEADHO CC[C@@H]1CN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC[C@H]1[NH3+] ZINC000647010020 406940415 /nfs/dbraw/zinc/94/04/15/406940415.db2.gz MWESOOUTXFINLD-KZNAEPCWSA-N 1 3 315.461 2.237 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCCC1CC1 ZINC000643187402 406959079 /nfs/dbraw/zinc/95/90/79/406959079.db2.gz NKBZXJDGBMTIBL-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCCC1CC1 ZINC000643187402 406959081 /nfs/dbraw/zinc/95/90/81/406959081.db2.gz NKBZXJDGBMTIBL-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1nnc2n1CCCCC2 ZINC000647790394 407051088 /nfs/dbraw/zinc/05/10/88/407051088.db2.gz XOFKZZBIAYMCPX-JJXSEGSLSA-N 1 3 317.481 2.433 20 0 DEADHO Fc1ccc(-c2nnc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)[n-]2)cc1 ZINC000647791281 407051287 /nfs/dbraw/zinc/05/12/87/407051287.db2.gz BKLDQBAKPYTFAF-UMVBOHGHSA-N 1 3 315.396 2.089 20 0 DEADHO COC1([C@@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)CCCC1 ZINC000643346171 406985989 /nfs/dbraw/zinc/98/59/89/406985989.db2.gz GLJDXOLOBFBWSA-HZPDHXFCSA-N 1 3 309.498 2.092 20 0 DEADHO FC(F)CN1CCC(N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000643459975 407002889 /nfs/dbraw/zinc/00/28/89/407002889.db2.gz FXJJBFRAPZAOKD-QLFBSQMISA-N 1 3 301.425 2.226 20 0 DEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCCCN1 ZINC000643501620 407008109 /nfs/dbraw/zinc/00/81/09/407008109.db2.gz MJSRRLYIHMYLML-JFIYKMOQSA-N 1 3 302.466 2.024 20 0 DEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC[C@H]1CCCC[NH2+]1 ZINC000643501620 407008111 /nfs/dbraw/zinc/00/81/11/407008111.db2.gz MJSRRLYIHMYLML-JFIYKMOQSA-N 1 3 302.466 2.024 20 0 DEADHO COc1ccccc1[C@H]1CNCCN1CCCC1CC[NH2+]CC1 ZINC000647951797 407083512 /nfs/dbraw/zinc/08/35/12/407083512.db2.gz TVZDGRPQZLDPCH-GOSISDBHSA-N 1 3 317.477 2.421 20 0 DEADHO CCCN(C(=O)NCC[N@@H+]1CCCC[C@@H]1CC)[C@H]1CCN(C)C1 ZINC000645305691 407261006 /nfs/dbraw/zinc/26/10/06/407261006.db2.gz YEDDPWLTPRMHMA-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO CCCN(C(=O)NCC[N@H+]1CCCC[C@@H]1CC)[C@H]1CCN(C)C1 ZINC000645305691 407261009 /nfs/dbraw/zinc/26/10/09/407261009.db2.gz YEDDPWLTPRMHMA-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO CCCN(C(=O)NCC1([NH+](C)C)CCCCC1)[C@H]1CCN(C)C1 ZINC000645111039 407233071 /nfs/dbraw/zinc/23/30/71/407233071.db2.gz IVIGEJZJJVVEAF-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO Cc1ccccc1CN1CCCN(C(=O)[C@@H]2CC[NH2+][C@@H]2C)CC1 ZINC000645472033 407282584 /nfs/dbraw/zinc/28/25/84/407282584.db2.gz GMJCZWUBNBYUQB-SJLPKXTDSA-N 1 3 315.461 2.027 20 0 DEADHO OCC1(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCCC1 ZINC000569801855 292442674 /nfs/dbraw/zinc/44/26/74/292442674.db2.gz JHZIMMFMYDYAKJ-APWZRJJASA-N 1 3 316.445 2.385 20 0 DEADHO C[C@@H](CNC(=O)NC[C@H](C)N1CCC(C)CC1)C[NH+]1CCCC1 ZINC000129003950 196011146 /nfs/dbraw/zinc/01/11/46/196011146.db2.gz GKMNLAOQRTUBEN-IRXDYDNUSA-N 1 3 324.513 2.138 20 0 DEADHO CC[C@@H](CN[C@H]1CCN(C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC000130593202 196093995 /nfs/dbraw/zinc/09/39/95/196093995.db2.gz FGOBZPFPPPLYJF-GJZGRUSLSA-N 1 3 311.470 2.460 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C[C@@H](O)CN(C)C2CC2)C1 ZINC000336875510 287273438 /nfs/dbraw/zinc/27/34/38/287273438.db2.gz IABPKFAZWAUNFE-LMMKCTJWSA-N 1 3 323.525 2.028 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C[C@@H](O)CN(C)C2CC2)C1 ZINC000336875510 287273439 /nfs/dbraw/zinc/27/34/39/287273439.db2.gz IABPKFAZWAUNFE-LMMKCTJWSA-N 1 3 323.525 2.028 20 0 DEADHO c1cc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc2c1OCO2 ZINC000571752939 292569896 /nfs/dbraw/zinc/56/98/96/292569896.db2.gz AMEDNYRXMILBLH-XHSDSOJGSA-N 1 3 302.418 2.468 20 0 DEADHO Cc1n[nH]c(CC[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)n1 ZINC000291200179 222217050 /nfs/dbraw/zinc/21/70/50/222217050.db2.gz QBKIQKJPQYMNGN-PBHICJAKSA-N 1 3 313.449 2.298 20 0 DEADHO Cc1nc(CC[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)n[nH]1 ZINC000291200179 222217053 /nfs/dbraw/zinc/21/70/53/222217053.db2.gz QBKIQKJPQYMNGN-PBHICJAKSA-N 1 3 313.449 2.298 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NCCCC[NH3+])CC1 ZINC000417677517 229067169 /nfs/dbraw/zinc/06/71/69/229067169.db2.gz FVWPGTWVYYIGTE-OAHLLOKOSA-N 1 3 318.465 2.250 20 0 DEADHO [NH3+]CCC[C@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000417685283 229068663 /nfs/dbraw/zinc/06/86/63/229068663.db2.gz ORASLURLVHCQHL-WBVHZDCISA-N 1 3 316.449 2.003 20 0 DEADHO CN(C)C(=O)c1ccccc1CN1CCC(C[NH+](C)C)CC1 ZINC000417705976 229073681 /nfs/dbraw/zinc/07/36/81/229073681.db2.gz MNGCATGVSCXJDZ-UHFFFAOYSA-N 1 3 303.450 2.162 20 0 DEADHO C[C@H](CCCC[NH3+])NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000417973893 229167209 /nfs/dbraw/zinc/16/72/09/229167209.db2.gz CXCNFWGASTWSQN-HZPDHXFCSA-N 1 3 320.481 2.324 20 0 DEADHO C[C@H](C[NH3+])NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000418511136 229372641 /nfs/dbraw/zinc/37/26/41/229372641.db2.gz IXZGHTOJURGASW-INMHGKMJSA-N 1 3 318.465 2.028 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCN(C)CC(F)(F)F ZINC000422866923 230250793 /nfs/dbraw/zinc/25/07/93/230250793.db2.gz RDNJXIJKNAHFDN-NSHDSACASA-N 1 3 318.387 2.384 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1cccc(OCC(F)F)c1 ZINC000422947210 230288549 /nfs/dbraw/zinc/28/85/49/230288549.db2.gz QCJSOTUQGFOMLP-NILFDRSVSA-N 1 3 314.376 2.172 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)COCC(F)(F)F ZINC000422949839 230291895 /nfs/dbraw/zinc/29/18/95/230291895.db2.gz WUFCLXQRCKQGDU-VHSXEESVSA-N 1 3 305.344 2.467 20 0 DEADHO C[C@H](O)[C@](C)(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000423068412 230337833 /nfs/dbraw/zinc/33/78/33/230337833.db2.gz BSWBSFXCWJCFER-NFEZDNKESA-N 1 3 302.462 2.489 20 0 DEADHO Cc1cccc(OCCC[NH2+][C@@H]2CCOC[C@H]2[C@H](C)N)c1C ZINC000423088521 230343869 /nfs/dbraw/zinc/34/38/69/230343869.db2.gz QJUVFNVLTOUHRV-YESZJQIVSA-N 1 3 306.450 2.414 20 0 DEADHO Cc1cccc(OCCCN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])c1C ZINC000423088521 230343874 /nfs/dbraw/zinc/34/38/74/230343874.db2.gz QJUVFNVLTOUHRV-YESZJQIVSA-N 1 3 306.450 2.414 20 0 DEADHO COCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CCOCC1 ZINC000423133329 230361108 /nfs/dbraw/zinc/36/11/08/230361108.db2.gz QDMVOWMPQXBDGC-BRWVUGGUSA-N 1 3 310.482 2.330 20 0 DEADHO Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H](C)CN2CCCC2)c(C)c1 ZINC000390172736 424916458 /nfs/dbraw/zinc/91/64/58/424916458.db2.gz GCMCEQWSQQFYFW-SJLPKXTDSA-N 1 3 320.477 2.365 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CCC(C)(C)[NH3+] ZINC000389884247 424916920 /nfs/dbraw/zinc/91/69/20/424916920.db2.gz QGKXTNXHDPPMBU-GDBMZVCRSA-N 1 3 303.450 2.141 20 0 DEADHO CO[C@@H]1CC[N@H+](Cc2ccc(OCCN(C)C)cc2)C[C@@H]1C ZINC000648742360 424900351 /nfs/dbraw/zinc/90/03/51/424900351.db2.gz SCZCKJIBXYWPJP-MAUKXSAKSA-N 1 3 306.450 2.484 20 0 DEADHO CO[C@@H]1CC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C[C@@H]1C ZINC000648742360 424900353 /nfs/dbraw/zinc/90/03/53/424900353.db2.gz SCZCKJIBXYWPJP-MAUKXSAKSA-N 1 3 306.450 2.484 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC(=O)c1oc2ccccc2c1CN(C)C ZINC000649371034 425003440 /nfs/dbraw/zinc/00/34/40/425003440.db2.gz GDUZDFCWVYPFKA-NWDGAFQWSA-N 1 3 303.406 2.350 20 0 DEADHO CN1CCC[C@H]([NH2+]C[C@H](O)CN2CCCC2)c2ccccc21 ZINC000650198542 424963048 /nfs/dbraw/zinc/96/30/48/424963048.db2.gz PPDNAPUSEOHGTA-RDJZCZTQSA-N 1 3 303.450 2.004 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CCC(C)(C)[NH3+])C1 ZINC000649307316 424989814 /nfs/dbraw/zinc/98/98/14/424989814.db2.gz GKGZDGPXAMBIAD-GOEBONIOSA-N 1 3 303.450 2.456 20 0 DEADHO CO[C@H](Cc1ccccc1)C[NH+]1CCC(OCCN(C)C)CC1 ZINC000649310039 424990742 /nfs/dbraw/zinc/99/07/42/424990742.db2.gz ULJDRTJQAGDIIX-LJQANCHMSA-N 1 3 320.477 2.287 20 0 DEADHO O=C(NCCCCC[NH+]1CCCCC1)[C@@H]1CNCCC1(F)F ZINC000649332169 424995330 /nfs/dbraw/zinc/99/53/30/424995330.db2.gz AMCNTVNLKYTCBI-AWEZNQCLSA-N 1 3 317.424 2.004 20 0 DEADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000649342929 424998430 /nfs/dbraw/zinc/99/84/30/424998430.db2.gz XQCJSJMFNNVGFN-IEBWSBKVSA-N 1 3 315.461 2.109 20 0 DEADHO COc1ccc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1O ZINC000650705809 425038558 /nfs/dbraw/zinc/03/85/58/425038558.db2.gz WLRVXAOCFCKWOF-RLFYNMQTSA-N 1 3 320.433 2.119 20 0 DEADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3cccc4c3OCO4)C2)C1 ZINC000650705848 425038709 /nfs/dbraw/zinc/03/87/09/425038709.db2.gz YKLRBTBLZMEDGL-UNEWFSDZSA-N 1 3 318.417 2.134 20 0 DEADHO COc1cc(C)nc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650707925 425039974 /nfs/dbraw/zinc/03/99/74/425039974.db2.gz QCIXISBENWNUQS-MPGHIAIKSA-N 1 3 319.449 2.117 20 0 DEADHO CC(C)n1nccc1CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708325 425040009 /nfs/dbraw/zinc/04/00/09/425040009.db2.gz XWEWTQDTMPIOPT-YQQAZPJKSA-N 1 3 306.454 2.182 20 0 DEADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3cnc4ccccn34)C2)C1 ZINC000650706674 425040086 /nfs/dbraw/zinc/04/00/86/425040086.db2.gz QAAYVOKCZOEDLG-ZMSDIMECSA-N 1 3 314.433 2.053 20 0 DEADHO Cn1c(=O)ccc2c1CCC[C@H]2N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000650724738 425042181 /nfs/dbraw/zinc/04/21/81/425042181.db2.gz LNWSYSNVOUQKSY-MWQQHZPXSA-N 1 3 315.461 2.273 20 0 DEADHO COc1ccc2c(c1)C[C@@H](NCc1ccc(C[NH3+])cc1F)CO2 ZINC000650755857 425049591 /nfs/dbraw/zinc/04/95/91/425049591.db2.gz OJCHXZMIQQOLBU-OAHLLOKOSA-N 1 3 316.376 2.386 20 0 DEADHO COc1cc(C)ccc1CNCCC[N@@H+]1CCCN(C)CC1 ZINC000649696256 425065526 /nfs/dbraw/zinc/06/55/26/425065526.db2.gz IIOPPPLZFYJRNE-UHFFFAOYSA-N 1 3 305.466 2.121 20 0 DEADHO COc1cc(C)ccc1CNCCC[N@H+]1CCCN(C)CC1 ZINC000649696256 425065528 /nfs/dbraw/zinc/06/55/28/425065528.db2.gz IIOPPPLZFYJRNE-UHFFFAOYSA-N 1 3 305.466 2.121 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NCCC[N@H+](C)CC(C)C ZINC000650864802 425069595 /nfs/dbraw/zinc/06/95/95/425069595.db2.gz DXTMEQXMUVEOSB-MRXNPFEDSA-N 1 3 312.502 2.138 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NCCC[N@@H+](C)CC(C)C ZINC000650864802 425069597 /nfs/dbraw/zinc/06/95/97/425069597.db2.gz DXTMEQXMUVEOSB-MRXNPFEDSA-N 1 3 312.502 2.138 20 0 DEADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)CC(=O)NCCc1ccccc1 ZINC000663504174 425174716 /nfs/dbraw/zinc/17/47/16/425174716.db2.gz XKFVGLSDVUKMQA-DOTOQJQBSA-N 1 3 305.466 2.087 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000666758473 425176493 /nfs/dbraw/zinc/17/64/93/425176493.db2.gz SFPHMFPGZHDXPW-IKGGRYGDSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000666758473 425176495 /nfs/dbraw/zinc/17/64/95/425176495.db2.gz SFPHMFPGZHDXPW-IKGGRYGDSA-N 1 3 324.513 2.088 20 0 DEADHO c1cc([C@@H]2CNCCO2)ccc1N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000656792076 425191722 /nfs/dbraw/zinc/19/17/22/425191722.db2.gz IVGYIDKFLIRNQC-IDCNUPLLSA-N 1 3 301.434 2.148 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652155104 425198315 /nfs/dbraw/zinc/19/83/15/425198315.db2.gz WORUDDZDNFCRCY-JZXOWHBKSA-N 1 3 322.497 2.021 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCC1CCCC1 ZINC000663663659 425208931 /nfs/dbraw/zinc/20/89/31/425208931.db2.gz GEYOJLFPTGZEJY-HNNXBMFYSA-N 1 3 312.502 2.138 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCC1CCCC1 ZINC000663663659 425208935 /nfs/dbraw/zinc/20/89/35/425208935.db2.gz GEYOJLFPTGZEJY-HNNXBMFYSA-N 1 3 312.502 2.138 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000666857962 425199236 /nfs/dbraw/zinc/19/92/36/425199236.db2.gz RDOFWAASTIGAGV-UONOGXRCSA-N 1 3 305.422 2.144 20 0 DEADHO CCCN1CC[C@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000660675772 425205481 /nfs/dbraw/zinc/20/54/81/425205481.db2.gz MAAGVERFOAEBND-LSDHHAIUSA-N 1 3 312.502 2.136 20 0 DEADHO CC(C)CN(C)CCC[NH2+]C1CCN(c2cnccn2)CC1 ZINC000651866000 425150113 /nfs/dbraw/zinc/15/01/13/425150113.db2.gz PVQIBVXWZQJDNX-UHFFFAOYSA-N 1 3 305.470 2.013 20 0 DEADHO CC(C)C[N@H+](C)CCCNC1CCN(c2cnccn2)CC1 ZINC000651866000 425150114 /nfs/dbraw/zinc/15/01/14/425150114.db2.gz PVQIBVXWZQJDNX-UHFFFAOYSA-N 1 3 305.470 2.013 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC1CCN(c2cnccn2)CC1 ZINC000651866000 425150115 /nfs/dbraw/zinc/15/01/15/425150115.db2.gz PVQIBVXWZQJDNX-UHFFFAOYSA-N 1 3 305.470 2.013 20 0 DEADHO CC(C)N(C)C[C@@H](O)C[N@H+](C)CCCOc1ccc(F)cc1 ZINC000656695321 425163048 /nfs/dbraw/zinc/16/30/48/425163048.db2.gz GHWNJPUUBGNVTG-INIZCTEOSA-N 1 3 312.429 2.228 20 0 DEADHO CC(C)N(C)C[C@@H](O)C[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000656695321 425163053 /nfs/dbraw/zinc/16/30/53/425163053.db2.gz GHWNJPUUBGNVTG-INIZCTEOSA-N 1 3 312.429 2.228 20 0 DEADHO COC[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)C1CCOCC1 ZINC000663466918 425165122 /nfs/dbraw/zinc/16/51/22/425165122.db2.gz YHJSTINOIWGPGW-WMZOPIPTSA-N 1 3 310.482 2.140 20 0 DEADHO COC[C@H](NC[C@@H]1CCC[N@H+](CC2CC2)C1)C1CCOCC1 ZINC000663466918 425165124 /nfs/dbraw/zinc/16/51/24/425165124.db2.gz YHJSTINOIWGPGW-WMZOPIPTSA-N 1 3 310.482 2.140 20 0 DEADHO COC[C@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CCOCC1 ZINC000663466918 425165127 /nfs/dbraw/zinc/16/51/27/425165127.db2.gz YHJSTINOIWGPGW-WMZOPIPTSA-N 1 3 310.482 2.140 20 0 DEADHO CCN(C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCN(C)C1 ZINC000663787704 425235820 /nfs/dbraw/zinc/23/58/20/425235820.db2.gz KFKRGBJILRGMBB-CVEARBPZSA-N 1 3 324.513 2.233 20 0 DEADHO CCN(C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[C@H]1CCN(C)C1 ZINC000663787704 425235825 /nfs/dbraw/zinc/23/58/25/425235825.db2.gz KFKRGBJILRGMBB-CVEARBPZSA-N 1 3 324.513 2.233 20 0 DEADHO O=C(NCCCCC[NH+]1CCCC1)N[C@@H]1CCN(CC2CC2)C1 ZINC000652367704 425251388 /nfs/dbraw/zinc/25/13/88/425251388.db2.gz LOWGFARVCLAJTL-QGZVFWFLSA-N 1 3 322.497 2.036 20 0 DEADHO C[C@@H](CNC(=O)Nc1ccc(OCCC[NH+](C)C)cc1)N(C)C ZINC000652495802 425282360 /nfs/dbraw/zinc/28/23/60/425282360.db2.gz OFISSZUECUOOJI-AWEZNQCLSA-N 1 3 322.453 2.089 20 0 DEADHO CCC[N@H+](C)CC(C)(C)NC(=O)NC[C@H]1CCCCN1CC ZINC000664076514 425302410 /nfs/dbraw/zinc/30/24/10/425302410.db2.gz HHEJQFIQELKCMY-OAHLLOKOSA-N 1 3 312.502 2.280 20 0 DEADHO CCC[N@@H+](C)CC(C)(C)NC(=O)NC[C@H]1CCCCN1CC ZINC000664076514 425302414 /nfs/dbraw/zinc/30/24/14/425302414.db2.gz HHEJQFIQELKCMY-OAHLLOKOSA-N 1 3 312.502 2.280 20 0 DEADHO CC[C@H]1C[C@H]([NH2+]CCc2ccc(OCCN(C)C)cc2)CO1 ZINC000657351693 425313542 /nfs/dbraw/zinc/31/35/42/425313542.db2.gz SIJSCDLJUCNOMS-IRXDYDNUSA-N 1 3 306.450 2.327 20 0 DEADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H](C)Cn1cncn1 ZINC000657833692 425407166 /nfs/dbraw/zinc/40/71/66/425407166.db2.gz BRTFAAVHVXSCPW-OAHLLOKOSA-N 1 3 301.438 2.297 20 0 DEADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H](C)Cn1cncn1 ZINC000657833692 425407170 /nfs/dbraw/zinc/40/71/70/425407170.db2.gz BRTFAAVHVXSCPW-OAHLLOKOSA-N 1 3 301.438 2.297 20 0 DEADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cc2ccncc2s1 ZINC000657884973 425413814 /nfs/dbraw/zinc/41/38/14/425413814.db2.gz AKIPHDYDWFDUKO-GFCCVEGCSA-N 1 3 305.447 2.404 20 0 DEADHO CCCN1CC[C@@H](NC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)C1 ZINC000661257524 425363335 /nfs/dbraw/zinc/36/33/35/425363335.db2.gz UFJHOAPELJPLLA-SJORKVTESA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCCC1(C)C ZINC000664345477 425366283 /nfs/dbraw/zinc/36/62/83/425366283.db2.gz VMUNDTVAGJYVIL-GJZGRUSLSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCCC1(C)C ZINC000664345477 425366287 /nfs/dbraw/zinc/36/62/87/425366287.db2.gz VMUNDTVAGJYVIL-GJZGRUSLSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1ccc(F)c(F)c1F ZINC000657572638 425366698 /nfs/dbraw/zinc/36/66/98/425366698.db2.gz DKGQOYNMXJOEOH-LBPRGKRZSA-N 1 3 317.399 2.466 20 0 DEADHO Cc1nn(C(C)C)cc1CN[C@@H](C)CN(C)CCC[NH+](C)C ZINC000657573783 425368100 /nfs/dbraw/zinc/36/81/00/425368100.db2.gz UGEWQINUARVXAJ-HNNXBMFYSA-N 1 3 309.502 2.134 20 0 DEADHO Cc1cccn2c(CN[C@@H](C)CN(C)CCC[NH+](C)C)cnc12 ZINC000657574348 425368743 /nfs/dbraw/zinc/36/87/43/425368743.db2.gz WRTKOEDPWIOYFN-INIZCTEOSA-N 1 3 317.481 2.004 20 0 DEADHO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)C1 ZINC000657595622 425370712 /nfs/dbraw/zinc/37/07/12/425370712.db2.gz IZFDPNUGEQXDLE-GBESFXJTSA-N 1 3 318.461 2.300 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)C[C@H](C)O1 ZINC000657598252 425373111 /nfs/dbraw/zinc/37/31/11/425373111.db2.gz ZMTPGXBXUQALEX-LVFSCSRESA-N 1 3 318.461 2.299 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000664915543 425479017 /nfs/dbraw/zinc/47/90/17/425479017.db2.gz IFDFHDKJQXDEDY-HOTGVXAUSA-N 1 3 312.502 2.233 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000664915543 425479019 /nfs/dbraw/zinc/47/90/19/425479019.db2.gz IFDFHDKJQXDEDY-HOTGVXAUSA-N 1 3 312.502 2.233 20 0 DEADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC[N@@H+]1C ZINC000654729894 425426126 /nfs/dbraw/zinc/42/61/26/425426126.db2.gz XPVGESOJKCSQNL-QBPKDAKJSA-N 1 3 322.497 2.127 20 0 DEADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC[N@H+]1C ZINC000654729894 425426130 /nfs/dbraw/zinc/42/61/30/425426130.db2.gz XPVGESOJKCSQNL-QBPKDAKJSA-N 1 3 322.497 2.127 20 0 DEADHO CCCN(C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCN(C)C1 ZINC000654737297 425429827 /nfs/dbraw/zinc/42/98/27/425429827.db2.gz NVADXUOIESVARS-ZACQAIPSSA-N 1 3 322.497 2.129 20 0 DEADHO CCCN(C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1CCN(C)C1 ZINC000654737297 425429830 /nfs/dbraw/zinc/42/98/30/425429830.db2.gz NVADXUOIESVARS-ZACQAIPSSA-N 1 3 322.497 2.129 20 0 DEADHO OC/C=C/CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000658142971 425443920 /nfs/dbraw/zinc/44/39/20/425443920.db2.gz ZWBLHETXRDDBIK-RXHOYGRGSA-N 1 3 300.446 2.425 20 0 DEADHO OC/C=C/CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000658142971 425443924 /nfs/dbraw/zinc/44/39/24/425443924.db2.gz ZWBLHETXRDDBIK-RXHOYGRGSA-N 1 3 300.446 2.425 20 0 DEADHO OC/C=C/C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000658142971 425443928 /nfs/dbraw/zinc/44/39/28/425443928.db2.gz ZWBLHETXRDDBIK-RXHOYGRGSA-N 1 3 300.446 2.425 20 0 DEADHO C[C@H]1COCC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166318 425449648 /nfs/dbraw/zinc/44/96/48/425449648.db2.gz NSMFLCNZNAQIAP-YJBOKZPZSA-N 1 3 303.450 2.308 20 0 DEADHO CC(C)(C)N1CCC([NH2+]CCN2C[C@H]3CCCCN3C2=O)CC1 ZINC000658310246 425471779 /nfs/dbraw/zinc/47/17/79/425471779.db2.gz RYZAKGZUZUWPTJ-MRXNPFEDSA-N 1 3 322.497 2.129 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)C3CCC3)CC2)CC1 ZINC000654960288 425472094 /nfs/dbraw/zinc/47/20/94/425472094.db2.gz LHOWXRVGPKMKND-OAHLLOKOSA-N 1 3 321.509 2.488 20 0 DEADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[C@@H](F)[C@H](N)C3)ccc21 ZINC000659016268 425520043 /nfs/dbraw/zinc/52/00/43/425520043.db2.gz WAVZHWCHQXNSSQ-OAGGEKHMSA-N 1 3 320.412 2.139 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000661898377 425522128 /nfs/dbraw/zinc/52/21/28/425522128.db2.gz OJJHBKDTQFZTQE-MRXNPFEDSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H](NCC1CC[NH+](C2CCOCC2)CC1)c1cnccc1N ZINC000665233425 425524011 /nfs/dbraw/zinc/52/40/11/425524011.db2.gz HPUOCNHGEXOLCO-AWEZNQCLSA-N 1 3 318.465 2.036 20 0 DEADHO C[C@H]1C[C@@H](N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CN1C1CC1 ZINC000665254345 425530171 /nfs/dbraw/zinc/53/01/71/425530171.db2.gz OESNSNHAGXAFQY-UONJOCPKSA-N 1 3 317.452 2.486 20 0 DEADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)CCCCO)cc1F ZINC000665259944 425532254 /nfs/dbraw/zinc/53/22/54/425532254.db2.gz WCGMQBSRBKPUAG-KMFMINBZSA-N 1 3 324.440 2.421 20 0 DEADHO CN(CCCNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2)Cc1ccccc1 ZINC000655443320 425568019 /nfs/dbraw/zinc/56/80/19/425568019.db2.gz QXSXZDOXRLIFSJ-IEBWSBKVSA-N 1 3 315.461 2.014 20 0 DEADHO [NH3+]CCOc1ccc(NC(=O)C[C@@H]2NCc3ccccc32)cc1 ZINC000659302759 425571742 /nfs/dbraw/zinc/57/17/42/425571742.db2.gz LFMLXQUPBFKOBM-KRWDZBQOSA-N 1 3 311.385 2.197 20 0 DEADHO O=C(C[C@H]1NCc2ccccc21)N1CCC2(CC[NH2+]CC2)CC1 ZINC000659323175 425576821 /nfs/dbraw/zinc/57/68/21/425576821.db2.gz VHLXCSLZXSIZEK-QGZVFWFLSA-N 1 3 313.445 2.213 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN(CCC2CC2)CC2CC2)CC1 ZINC000662181631 425584083 /nfs/dbraw/zinc/58/40/83/425584083.db2.gz WGGIURCVPVLZMM-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO CN(C(=O)N[C@@H]1CCN(C(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000665553260 425594399 /nfs/dbraw/zinc/59/43/99/425594399.db2.gz RBNCNNMHTFWPCD-JZWPEALZSA-N 1 3 322.497 2.126 20 0 DEADHO CN(C(=O)N[C@@H]1CCN(C(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000665553260 425594402 /nfs/dbraw/zinc/59/44/02/425594402.db2.gz RBNCNNMHTFWPCD-JZWPEALZSA-N 1 3 322.497 2.126 20 0 DEADHO CCN(CC)C(=O)[C@@H]1CCCN1Cc1cccc2c1CC[NH2+]C2 ZINC000662255289 425601572 /nfs/dbraw/zinc/60/15/72/425601572.db2.gz XISQFNBLRXPOFQ-SFHVURJKSA-N 1 3 315.461 2.165 20 0 DEADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cccc2c1CNC2 ZINC000662405889 425643276 /nfs/dbraw/zinc/64/32/76/425643276.db2.gz AEMXETPNHQKPQP-RBSFLKMASA-N 1 3 315.461 2.386 20 0 DEADHO C[C@@H](CC[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)N1CCCCC1 ZINC000655754421 425645746 /nfs/dbraw/zinc/64/57/46/425645746.db2.gz QEEYUEAQVPHDES-HKUYNNGSSA-N 1 3 323.525 2.484 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000662469174 425658481 /nfs/dbraw/zinc/65/84/81/425658481.db2.gz ZUOIMLJSQXSHFQ-NJAFHUGGSA-N 1 3 317.477 2.496 20 0 DEADHO CC[C@H](NC)C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000662467148 425658731 /nfs/dbraw/zinc/65/87/31/425658731.db2.gz PQMXLEMEIACFPM-INIZCTEOSA-N 1 3 319.449 2.406 20 0 DEADHO C[C@H](NC(=O)C[C@@H]1NCc2ccccc21)C(C)(C)C[NH+](C)C ZINC000662474013 425659498 /nfs/dbraw/zinc/65/94/98/425659498.db2.gz PSXCVIRLLBXZLY-BBRMVZONSA-N 1 3 303.450 2.314 20 0 DEADHO CN[C@@H](C)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000662501617 425667291 /nfs/dbraw/zinc/66/72/91/425667291.db2.gz CQWNFLYYVDTHNO-JQHSSLGASA-N 1 3 315.461 2.107 20 0 DEADHO CN[C@@H](C)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000662501617 425667293 /nfs/dbraw/zinc/66/72/93/425667293.db2.gz CQWNFLYYVDTHNO-JQHSSLGASA-N 1 3 315.461 2.107 20 0 DEADHO O=C(c1cccc2c1CNC2)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662524074 425673870 /nfs/dbraw/zinc/67/38/70/425673870.db2.gz UDYAHEDTSBUEEX-ZBFHGGJFSA-N 1 3 313.445 2.142 20 0 DEADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc2c1CNC2 ZINC000662526319 425673994 /nfs/dbraw/zinc/67/39/94/425673994.db2.gz CILGSBSVEFLGQT-ZDUSSCGKSA-N 1 3 301.434 2.092 20 0 DEADHO COc1ccnc(CN2CC3(C[C@H]2C)CC[NH2+]CC3)c1OC ZINC000662282598 425612512 /nfs/dbraw/zinc/61/25/12/425612512.db2.gz HPGODCLTVKGCAF-CYBMUJFWSA-N 1 3 305.422 2.063 20 0 DEADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(CCOCc3ccccc3)CC2)C1 ZINC000662281513 425612750 /nfs/dbraw/zinc/61/27/50/425612750.db2.gz MURXTJSFMCUEFC-RTBURBONSA-N 1 3 318.461 2.422 20 0 DEADHO [NH3+][C@H]1CCO[C@H](C2CCN(CCOCc3ccccc3)CC2)C1 ZINC000662281511 425612924 /nfs/dbraw/zinc/61/29/24/425612924.db2.gz MURXTJSFMCUEFC-OALUTQOASA-N 1 3 318.461 2.422 20 0 DEADHO CNC(=O)c1cccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000662290983 425614495 /nfs/dbraw/zinc/61/44/95/425614495.db2.gz ASERTTQVSNRREG-GOSISDBHSA-N 1 3 315.461 2.258 20 0 DEADHO CC(C)CCNC(=O)[C@@H](C)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290823 425614840 /nfs/dbraw/zinc/61/48/40/425614840.db2.gz LESPQTVSMAEQKE-NVXWUHKLSA-N 1 3 309.498 2.249 20 0 DEADHO CC(C)CN(C(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1)C1CC1 ZINC000662294161 425616943 /nfs/dbraw/zinc/61/69/43/425616943.db2.gz BLGMQUPUMLFKHC-KRWDZBQOSA-N 1 3 321.509 2.345 20 0 DEADHO COc1cccc([C@@]2(C)CC[N@H+](C[C@H]3CCC4(CNC4)O3)C2)c1 ZINC000662309566 425620507 /nfs/dbraw/zinc/62/05/07/425620507.db2.gz ARABYZUEJUSZMH-MSOLQXFVSA-N 1 3 316.445 2.180 20 0 DEADHO COc1cccc([C@@]2(C)CC[N@@H+](C[C@H]3CCC4(CNC4)O3)C2)c1 ZINC000662309566 425620510 /nfs/dbraw/zinc/62/05/10/425620510.db2.gz ARABYZUEJUSZMH-MSOLQXFVSA-N 1 3 316.445 2.180 20 0 DEADHO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCC[C@@H](C)[C@H]2CCC[NH3+])C1 ZINC000662313050 425621260 /nfs/dbraw/zinc/62/12/60/425621260.db2.gz GKLWCROEMQGYMQ-QBPKDAKJSA-N 1 3 309.498 2.330 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)NCC1([NH3+])CCCC1 ZINC000659572505 425630534 /nfs/dbraw/zinc/63/05/34/425630534.db2.gz DHHCKYOARCGMNV-UHFFFAOYSA-N 1 3 324.494 2.093 20 0 DEADHO CCC(C)(C)[C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665763806 425640160 /nfs/dbraw/zinc/64/01/60/425640160.db2.gz MKKFBPDARKQYRT-GJZGRUSLSA-N 1 3 314.518 2.382 20 0 DEADHO CCC(C)(C)[C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665763806 425640165 /nfs/dbraw/zinc/64/01/65/425640165.db2.gz MKKFBPDARKQYRT-GJZGRUSLSA-N 1 3 314.518 2.382 20 0 DEADHO Cc1ccoc1CN(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665762757 425640618 /nfs/dbraw/zinc/64/06/18/425640618.db2.gz PEXBSATWAUZMFM-HNNXBMFYSA-N 1 3 324.469 2.001 20 0 DEADHO Cc1ccoc1CN(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665762757 425640620 /nfs/dbraw/zinc/64/06/20/425640620.db2.gz PEXBSATWAUZMFM-HNNXBMFYSA-N 1 3 324.469 2.001 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000665763843 425640881 /nfs/dbraw/zinc/64/08/81/425640881.db2.gz NJANYWFVWDBXKP-YESZJQIVSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000665763843 425640882 /nfs/dbraw/zinc/64/08/82/425640882.db2.gz NJANYWFVWDBXKP-YESZJQIVSA-N 1 3 324.513 2.090 20 0 DEADHO CN(CC[N@H+](C)C1CCCCC1)C(=O)C1(NC2CC2)CCC1 ZINC000662788065 425735721 /nfs/dbraw/zinc/73/57/21/425735721.db2.gz IRMRXDGORGOKPI-UHFFFAOYSA-N 1 3 307.482 2.384 20 0 DEADHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)C1(NC2CC2)CCC1 ZINC000662788065 425735725 /nfs/dbraw/zinc/73/57/25/425735725.db2.gz IRMRXDGORGOKPI-UHFFFAOYSA-N 1 3 307.482 2.384 20 0 DEADHO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)C[C@@H](O)CN(C)C(C)C ZINC000660099147 425736504 /nfs/dbraw/zinc/73/65/04/425736504.db2.gz FCIDUFHCKDATLU-HRCADAONSA-N 1 3 300.487 2.213 20 0 DEADHO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)C[C@@H](O)CN(C)C(C)C ZINC000660099147 425736506 /nfs/dbraw/zinc/73/65/06/425736506.db2.gz FCIDUFHCKDATLU-HRCADAONSA-N 1 3 300.487 2.213 20 0 DEADHO O=C(Nc1ccc2c(c1)CNC2)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655909167 425682488 /nfs/dbraw/zinc/68/24/88/425682488.db2.gz BILKRKDNGJUOFU-IRXDYDNUSA-N 1 3 314.433 2.428 20 0 DEADHO O=C(Nc1ccc2c(c1)CNC2)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655909167 425682491 /nfs/dbraw/zinc/68/24/91/425682491.db2.gz BILKRKDNGJUOFU-IRXDYDNUSA-N 1 3 314.433 2.428 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CNCc3ccccc32)C1 ZINC000662592208 425688428 /nfs/dbraw/zinc/68/84/28/425688428.db2.gz IEMDVGREDJVSEA-PBHICJAKSA-N 1 3 315.461 2.110 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CNCc3ccccc32)C1 ZINC000662592208 425688432 /nfs/dbraw/zinc/68/84/32/425688432.db2.gz IEMDVGREDJVSEA-PBHICJAKSA-N 1 3 315.461 2.110 20 0 DEADHO C[NH+](C)Cc1cccc(NC(=O)c2cc(C(C)(C)N)no2)c1 ZINC000662684010 425712672 /nfs/dbraw/zinc/71/26/72/425712672.db2.gz VQKXKFKMNQWWQD-UHFFFAOYSA-N 1 3 302.378 2.182 20 0 DEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1(NC2CC2)CCC1 ZINC000662695952 425716165 /nfs/dbraw/zinc/71/61/65/425716165.db2.gz RAVGZHLWDAMVEA-ZNMIVQPWSA-N 1 3 307.482 2.144 20 0 DEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1(NC2CC2)CCC1 ZINC000662695952 425716168 /nfs/dbraw/zinc/71/61/68/425716168.db2.gz RAVGZHLWDAMVEA-ZNMIVQPWSA-N 1 3 307.482 2.144 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cccc3c2CCNC3)C1 ZINC000662729971 425723840 /nfs/dbraw/zinc/72/38/40/425723840.db2.gz XOXPOYYAXFGSEW-HNNXBMFYSA-N 1 3 315.461 2.040 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cccc3c2CCNC3)C1 ZINC000662729971 425723843 /nfs/dbraw/zinc/72/38/43/425723843.db2.gz XOXPOYYAXFGSEW-HNNXBMFYSA-N 1 3 315.461 2.040 20 0 DEADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc2c(s1)CCNC2 ZINC000662746735 425727893 /nfs/dbraw/zinc/72/78/93/425727893.db2.gz WKUSXZUDSMYDSC-AWEZNQCLSA-N 1 3 321.490 2.340 20 0 DEADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cc2c(s1)CCNC2 ZINC000662746735 425727896 /nfs/dbraw/zinc/72/78/96/425727896.db2.gz WKUSXZUDSMYDSC-AWEZNQCLSA-N 1 3 321.490 2.340 20 0 DEADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000660231439 425772525 /nfs/dbraw/zinc/77/25/25/425772525.db2.gz BMKSSWCTANVUDZ-DLBZAZTESA-N 1 3 306.450 2.088 20 0 DEADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000660231439 425772527 /nfs/dbraw/zinc/77/25/27/425772527.db2.gz BMKSSWCTANVUDZ-DLBZAZTESA-N 1 3 306.450 2.088 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)N[C@@H](C)CN2CCC(C)CC2)CC1 ZINC000660249293 425776102 /nfs/dbraw/zinc/77/61/02/425776102.db2.gz KKUIDZZMAYKGLB-INIZCTEOSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCN2C(C)(C)C)CC1 ZINC000660380021 425803390 /nfs/dbraw/zinc/80/33/90/425803390.db2.gz XRFXSGMIGAHNAI-INIZCTEOSA-N 1 3 324.513 2.279 20 0 DEADHO CO[C@@H](CN(C)CC[N@H+](C)C1CCN(C)CC1)C1CCCC1 ZINC000660139179 425748422 /nfs/dbraw/zinc/74/84/22/425748422.db2.gz NEIBVKCNIZJJHW-SFHVURJKSA-N 1 3 311.514 2.149 20 0 DEADHO CO[C@@H](CN(C)CC[N@@H+](C)C1CCN(C)CC1)C1CCCC1 ZINC000660139179 425748426 /nfs/dbraw/zinc/74/84/26/425748426.db2.gz NEIBVKCNIZJJHW-SFHVURJKSA-N 1 3 311.514 2.149 20 0 DEADHO CO[C@H](CN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1CCCC1 ZINC000660141000 425750892 /nfs/dbraw/zinc/75/08/92/425750892.db2.gz QGHAKPITWDIINS-RBUKOAKNSA-N 1 3 323.525 2.292 20 0 DEADHO CO[C@H](CN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)C1CCCC1 ZINC000660141000 425750895 /nfs/dbraw/zinc/75/08/95/425750895.db2.gz QGHAKPITWDIINS-RBUKOAKNSA-N 1 3 323.525 2.292 20 0 DEADHO COC[C@@H](C[N@H+](C)CCC1CCN(c2ccncc2)CC1)OC ZINC000660166485 425757191 /nfs/dbraw/zinc/75/71/91/425757191.db2.gz RBPOMNJDQIXLDM-GOSISDBHSA-N 1 3 321.465 2.281 20 0 DEADHO COC[C@@H](C[N@@H+](C)CCC1CCN(c2ccncc2)CC1)OC ZINC000660166485 425757193 /nfs/dbraw/zinc/75/71/93/425757193.db2.gz RBPOMNJDQIXLDM-GOSISDBHSA-N 1 3 321.465 2.281 20 0 DEADHO CCC(=O)N1CCC([NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC000663345926 425830994 /nfs/dbraw/zinc/83/09/94/425830994.db2.gz OVVFVPPGYNBJTE-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CC2CCCCC2)C[C@H]1C ZINC001423342333 1173267960 /nfs/dbraw/zinc/26/79/60/1173267960.db2.gz DCRHCOAOJWOSLJ-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO CN1CCC[C@@H](CNC(=O)/C=C/C[NH+](C)C)[C@@H]1c1cccs1 ZINC000363335186 269051195 /nfs/dbraw/zinc/05/11/95/269051195.db2.gz MEKRASRDQYWQNB-UWNVAXDLSA-N 1 3 321.490 2.365 20 0 DEADHO C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000390780641 269098196 /nfs/dbraw/zinc/09/81/96/269098196.db2.gz QSLWOBYTYGTGBC-NJAFHUGGSA-N 1 3 315.461 2.155 20 0 DEADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](N[C@H]3CCC[NH2+]C3)C[C@H]2C1 ZINC000401135951 269111923 /nfs/dbraw/zinc/11/19/23/269111923.db2.gz SRILWPCWAWEIDD-VGWMRTNUSA-N 1 3 323.481 2.364 20 0 DEADHO COc1ncccc1CC[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423144677 269115408 /nfs/dbraw/zinc/11/54/08/269115408.db2.gz ZJHCYFNKQIHQIL-LBPRGKRZSA-N 1 3 300.406 2.146 20 0 DEADHO C[C@H](N)CC[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496219088 269205707 /nfs/dbraw/zinc/20/57/07/269205707.db2.gz PXETVOZBEDKXOG-AWEZNQCLSA-N 1 3 305.422 2.115 20 0 DEADHO O=C(Oc1ccccc1)N1CCCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000496914235 269266462 /nfs/dbraw/zinc/26/64/62/269266462.db2.gz XMVGCBQZEITTAO-INIZCTEOSA-N 1 3 317.433 2.193 20 0 DEADHO O=C1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CN1 ZINC000499155545 269303957 /nfs/dbraw/zinc/30/39/57/269303957.db2.gz ZQIAKBRLZAOIFX-FJIDUMEYSA-N 1 3 313.445 2.050 20 0 DEADHO O=C1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CN1 ZINC000499155545 269303958 /nfs/dbraw/zinc/30/39/58/269303958.db2.gz ZQIAKBRLZAOIFX-FJIDUMEYSA-N 1 3 313.445 2.050 20 0 DEADHO CC(C)N1CCC([N@H+](C)Cc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000507097333 269314759 /nfs/dbraw/zinc/31/47/59/269314759.db2.gz FZJMBHMBPNFFGV-UHFFFAOYSA-N 1 3 317.433 2.436 20 0 DEADHO CC(C)N1CCC([N@@H+](C)Cc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000507097333 269314760 /nfs/dbraw/zinc/31/47/60/269314760.db2.gz FZJMBHMBPNFFGV-UHFFFAOYSA-N 1 3 317.433 2.436 20 0 DEADHO Cc1cccc(N2CCC([NH2+][C@@H]3CCCC[C@H]3CN)CC2)n1 ZINC000422771698 274793428 /nfs/dbraw/zinc/79/34/28/274793428.db2.gz YGMRUHGETJFQRL-DOTOQJQBSA-N 1 3 302.466 2.466 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000439694025 276258998 /nfs/dbraw/zinc/25/89/98/276258998.db2.gz VFFKKUZCNDXGLC-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000439694025 276259000 /nfs/dbraw/zinc/25/90/00/276259000.db2.gz VFFKKUZCNDXGLC-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CN(C(=O)NCCCCC[NH+]2CCCCC2)[C@H](C)CN1 ZINC000417711558 287906304 /nfs/dbraw/zinc/90/63/04/287906304.db2.gz QCXAWVKULXQQAD-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO CN1CCN(CC[NH2+][C@@H]2CCc3cc(F)ccc32)CC1(C)C ZINC000282277134 277106600 /nfs/dbraw/zinc/10/66/00/277106600.db2.gz KUZRQBGNFYATEW-QGZVFWFLSA-N 1 3 305.441 2.429 20 0 DEADHO C[C@@H]1OCC[C@]1(O)CNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000378224402 278064180 /nfs/dbraw/zinc/06/41/80/278064180.db2.gz IMUXKIYMBODLBE-FZCLSBEQSA-N 1 3 310.482 2.159 20 0 DEADHO C[C@@H](NCCN1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347926472 278347394 /nfs/dbraw/zinc/34/73/94/278347394.db2.gz HMYIURXDOYBXJD-RWQQGDIJSA-N 1 3 321.509 2.092 20 0 DEADHO C[C@@H](NCCN1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347926472 278347395 /nfs/dbraw/zinc/34/73/95/278347395.db2.gz HMYIURXDOYBXJD-RWQQGDIJSA-N 1 3 321.509 2.092 20 0 DEADHO C[C@@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCCN(C2CCC2)C1 ZINC000347926472 278347396 /nfs/dbraw/zinc/34/73/96/278347396.db2.gz HMYIURXDOYBXJD-RWQQGDIJSA-N 1 3 321.509 2.092 20 0 DEADHO C[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1-n1ccnn1 ZINC000285672505 278354722 /nfs/dbraw/zinc/35/47/22/278354722.db2.gz NNPKWWKRJCQZKS-HUUCEWRRSA-N 1 3 311.433 2.402 20 0 DEADHO C[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1-n1ccnn1 ZINC000285672505 278354724 /nfs/dbraw/zinc/35/47/24/278354724.db2.gz NNPKWWKRJCQZKS-HUUCEWRRSA-N 1 3 311.433 2.402 20 0 DEADHO CC(C)(C)OC(=O)N1CCC(C[N@@H+]2C[C@@H]3CCCN[C@@H]3C2)CC1 ZINC000494366136 278381609 /nfs/dbraw/zinc/38/16/09/278381609.db2.gz TXEQAHAUDMSPMO-JKSUJKDBSA-N 1 3 323.481 2.317 20 0 DEADHO CC(C)(C)OC(=O)N1CCC(C[N@H+]2C[C@@H]3CCCN[C@@H]3C2)CC1 ZINC000494366136 278381610 /nfs/dbraw/zinc/38/16/10/278381610.db2.gz TXEQAHAUDMSPMO-JKSUJKDBSA-N 1 3 323.481 2.317 20 0 DEADHO C[C@H]1CN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CCN(C2CC2)C1 ZINC000452178318 278397083 /nfs/dbraw/zinc/39/70/83/278397083.db2.gz YYQZXTYMDLEJKB-HZPDHXFCSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1CN(C(=O)CC[C@H]2CCCC[N@H+]2C)CCN(C2CC2)C1 ZINC000452178318 278397084 /nfs/dbraw/zinc/39/70/84/278397084.db2.gz YYQZXTYMDLEJKB-HZPDHXFCSA-N 1 3 307.482 2.194 20 0 DEADHO CC1CCN([C@H](CNC(=O)[C@H]2CC[NH2+]C2)c2ccccc2)CC1 ZINC000236661494 278551129 /nfs/dbraw/zinc/55/11/29/278551129.db2.gz ZZVTYVINOVRUGF-ZWKOTPCHSA-N 1 3 315.461 2.185 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000418242844 278979722 /nfs/dbraw/zinc/97/97/22/278979722.db2.gz VKGSLYAHUSDTAL-IKGGRYGDSA-N 1 3 324.513 2.123 20 0 DEADHO C[C@H](C(=O)N1C[C@@H]([NH3+])Cc2ccccc21)[C@H](N)c1ccccc1 ZINC000424069305 279209403 /nfs/dbraw/zinc/20/94/03/279209403.db2.gz BQUCBJUAFQHPCD-OWQGQXMQSA-N 1 3 309.413 2.239 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000417218609 279255827 /nfs/dbraw/zinc/25/58/27/279255827.db2.gz HFWWLEAACBSSJK-BFYDXBDKSA-N 1 3 318.465 2.249 20 0 DEADHO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC000354812573 279292505 /nfs/dbraw/zinc/29/25/05/279292505.db2.gz GGXKVQNEHAIYSK-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC000354812573 279292506 /nfs/dbraw/zinc/29/25/06/279292506.db2.gz GGXKVQNEHAIYSK-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)N1CCC(C)CC1 ZINC000262025857 279344561 /nfs/dbraw/zinc/34/45/61/279344561.db2.gz AYSQYUTYDLJKAS-SOLBZPMBSA-N 1 3 307.482 2.003 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000422901213 279642441 /nfs/dbraw/zinc/64/24/41/279642441.db2.gz KQWVIGAWQIGANN-USXIJHARSA-N 1 3 317.433 2.021 20 0 DEADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000423058359 279650413 /nfs/dbraw/zinc/65/04/13/279650413.db2.gz BWPNOULBFOQYJD-ZIAGYGMSSA-N 1 3 307.404 2.368 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(C3CC3)CC2)C[C@@H](C)O1 ZINC000459383995 288159345 /nfs/dbraw/zinc/15/93/45/288159345.db2.gz HSEVQDQZLUBNCL-HZPDHXFCSA-N 1 3 309.498 2.092 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)N1CCCCC1 ZINC000374438549 279759848 /nfs/dbraw/zinc/75/98/48/279759848.db2.gz SFTQWQRBVUPMOW-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H](C)C[NH+]1CCCC1)N1CCCCC1 ZINC000354579176 279789486 /nfs/dbraw/zinc/78/94/86/279789486.db2.gz OLXRIZAVWNXXPE-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@@H](CNC(=O)N1CCN[C@H](C)[C@H]1C)[NH+]1CCC(C)CC1 ZINC000417012103 279842345 /nfs/dbraw/zinc/84/23/45/279842345.db2.gz VQQRVXVBTRSRMZ-BRWVUGGUSA-N 1 3 324.513 2.135 20 0 DEADHO CC(C)[C@H](C(=O)NCCC1CC[NH+](C)CC1)N1CCCCC1 ZINC000354873576 280170361 /nfs/dbraw/zinc/17/03/61/280170361.db2.gz FDISRYAHYNCTAX-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@H](CNC(=O)C12CCCN1CCC2)[NH+]1CCC(C)CC1 ZINC000339435144 280240502 /nfs/dbraw/zinc/24/05/02/280240502.db2.gz WZXVVEWFIKYIOO-KRWDZBQOSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000423772239 280572897 /nfs/dbraw/zinc/57/28/97/280572897.db2.gz KSIBCFQYWAUNJN-HRCADAONSA-N 1 3 323.868 2.447 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000358113749 281057358 /nfs/dbraw/zinc/05/73/58/281057358.db2.gz PKWIECWZDSZJTK-WBVHZDCISA-N 1 3 322.497 2.201 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000358113749 281057360 /nfs/dbraw/zinc/05/73/60/281057360.db2.gz PKWIECWZDSZJTK-WBVHZDCISA-N 1 3 322.497 2.201 20 0 DEADHO CCc1ccc([C@H](CNC(=O)C[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000163603879 288562629 /nfs/dbraw/zinc/56/26/29/288562629.db2.gz HINHCGNHIDQZOJ-SJORKVTESA-N 1 3 303.450 2.110 20 0 DEADHO Cn1ccnc1[C@@H](NC1CCC([NH+](C)C)CC1)C1CCOCC1 ZINC000353862956 289066364 /nfs/dbraw/zinc/06/63/64/289066364.db2.gz FKIPAJBLJUZOLR-JCYILVPMSA-N 1 3 320.481 2.350 20 0 DEADHO CN(C)CCN(C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])C1CCCC1 ZINC000418424076 289121662 /nfs/dbraw/zinc/12/16/62/289121662.db2.gz JYWSHBORCLXVSE-GOEBONIOSA-N 1 3 310.486 2.020 20 0 DEADHO C[C@H](CC(=O)N(CCN(C)C)C1CCCC1)C1CC[NH2+]CC1 ZINC000423713632 289413185 /nfs/dbraw/zinc/41/31/85/289413185.db2.gz QRTHFBJYPSVGAI-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000422732971 293261611 /nfs/dbraw/zinc/26/16/11/293261611.db2.gz AOUJAGPTWMTFTD-CFVMTHIKSA-N 1 3 318.465 2.146 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000237862356 295303551 /nfs/dbraw/zinc/30/35/51/295303551.db2.gz YYNKGPPMIRKCQW-IAGOWNOFSA-N 1 3 307.482 2.228 20 0 DEADHO COc1cccc([C@H](CN[C@@H]2CCCC[C@@H]2C[NH3+])N(C)C)c1 ZINC000262390181 295325877 /nfs/dbraw/zinc/32/58/77/295325877.db2.gz ZRPJLXUDSYNLIY-NXHRZFHOSA-N 1 3 305.466 2.405 20 0 DEADHO COc1cccc([C@H](C[NH2+][C@@H]2CCCC[C@@H]2CN)N(C)C)c1 ZINC000262390181 295325879 /nfs/dbraw/zinc/32/58/79/295325879.db2.gz ZRPJLXUDSYNLIY-NXHRZFHOSA-N 1 3 305.466 2.405 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NCC2([NH+](C)C)CCCCC2)CCN1C ZINC000340899013 297277500 /nfs/dbraw/zinc/27/75/00/297277500.db2.gz KGIJXXMAKURFGE-CABCVRRESA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H](CCNC(=O)N1CC[C@H](N2CCCC2)C1)[NH+]1CCCCC1 ZINC000182665162 298435525 /nfs/dbraw/zinc/43/55/25/298435525.db2.gz GXZDGMXVXVHIBK-SJORKVTESA-N 1 3 322.497 2.131 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000085362875 298569622 /nfs/dbraw/zinc/56/96/22/298569622.db2.gz STYQYDNECWXTKE-CABCVRRESA-N 1 3 312.502 2.136 20 0 DEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000361287364 298584833 /nfs/dbraw/zinc/58/48/33/298584833.db2.gz IDHWUMJOBSRQTP-SJORKVTESA-N 1 3 324.513 2.425 20 0 DEADHO C[C@H](C[C@H]1COCCN1)[NH2+][C@H](CN1CCCC1)c1ccccc1 ZINC000422802594 298894890 /nfs/dbraw/zinc/89/48/90/298894890.db2.gz HOHHWJITNZRHDH-NZSAHSFTSA-N 1 3 317.477 2.180 20 0 DEADHO C[C@H]1CN(C)CC[C@@H]1[NH2+]CC1(N(C)C)Cc2ccccc2C1 ZINC000361763503 300217606 /nfs/dbraw/zinc/21/76/06/300217606.db2.gz FAXCCTWZSWDKDD-YJBOKZPZSA-N 1 3 301.478 2.015 20 0 DEADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000362596958 300220862 /nfs/dbraw/zinc/22/08/62/300220862.db2.gz SEMHYBDANAVNQA-RDJZCZTQSA-N 1 3 309.498 2.155 20 0 DEADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000362596958 300220864 /nfs/dbraw/zinc/22/08/64/300220864.db2.gz SEMHYBDANAVNQA-RDJZCZTQSA-N 1 3 309.498 2.155 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC(C)(C)CC[NH3+])N(C)C ZINC000422623048 302204566 /nfs/dbraw/zinc/20/45/66/302204566.db2.gz UOYUCAKCIGXNJW-HOCLYGCPSA-N 1 3 320.481 2.413 20 0 DEADHO C[C@@H](CNC(=O)[C@@H]1CNCc2ccccc21)[NH+]1CCC(C)CC1 ZINC000567608624 325828725 /nfs/dbraw/zinc/82/87/25/325828725.db2.gz GFEAGVKXWTZWLS-MAUKXSAKSA-N 1 3 315.461 2.110 20 0 DEADHO C[C@@H](NC(=O)Nc1cccc2c1CCNC2)C(C)(C)C[NH+](C)C ZINC000573071716 326018418 /nfs/dbraw/zinc/01/84/18/326018418.db2.gz KTDWDHXNQFWVBK-CYBMUJFWSA-N 1 3 318.465 2.430 20 0 DEADHO C[C@H]1CC[NH2+]CC[C@H]1NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000574391205 326149628 /nfs/dbraw/zinc/14/96/28/326149628.db2.gz PDMKGWULYWLOET-MYPMTAMASA-N 1 3 320.437 2.145 20 0 DEADHO C[C@H]1CCNCC[C@H]1[NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000574391205 326149630 /nfs/dbraw/zinc/14/96/30/326149630.db2.gz PDMKGWULYWLOET-MYPMTAMASA-N 1 3 320.437 2.145 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000574906774 326199675 /nfs/dbraw/zinc/19/96/75/326199675.db2.gz KDHFUNTVMZRHHS-YESZJQIVSA-N 1 3 322.497 2.164 20 0 DEADHO CCN(CCC[NH+](C)C)C(=O)Nc1cccc2c1CCNC2 ZINC000576686123 326311078 /nfs/dbraw/zinc/31/10/78/326311078.db2.gz ZUVVCIWYERUYAR-UHFFFAOYSA-N 1 3 304.438 2.138 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@@H](O)CCOC(C)C)C1 ZINC000577098806 326342724 /nfs/dbraw/zinc/34/27/24/326342724.db2.gz JGRHXHCCFIKPLX-IRXDYDNUSA-N 1 3 300.487 2.120 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@@H](O)CCOC(C)C)C1 ZINC000577098806 326342725 /nfs/dbraw/zinc/34/27/25/326342725.db2.gz JGRHXHCCFIKPLX-IRXDYDNUSA-N 1 3 300.487 2.120 20 0 DEADHO CC(C)CN1CCC[C@@H](C[NH2+]C[C@@H](O)CCOC(C)C)C1 ZINC000577098806 326342726 /nfs/dbraw/zinc/34/27/26/326342726.db2.gz JGRHXHCCFIKPLX-IRXDYDNUSA-N 1 3 300.487 2.120 20 0 DEADHO CC(C)[NH2+]CCC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000584289132 332214698 /nfs/dbraw/zinc/21/46/98/332214698.db2.gz VOSPJCIRVCZCPU-UHFFFAOYSA-N 1 3 317.477 2.328 20 0 DEADHO CN1CCN(CCCC[NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000582132788 333154352 /nfs/dbraw/zinc/15/43/52/333154352.db2.gz YKWHPGTXFRJHTJ-UHFFFAOYSA-N 1 3 300.450 2.285 20 0 DEADHO N[C@H]1CCC[C@@H]([NH2+]CCCOCCOCc2ccccc2)C1 ZINC000390673334 336945497 /nfs/dbraw/zinc/94/54/97/336945497.db2.gz UHVVSOJKYNUJLY-ZWKOTPCHSA-N 1 3 306.450 2.469 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H]1CCC[NH2+]1)N(C)C ZINC000583742468 337328019 /nfs/dbraw/zinc/32/80/19/337328019.db2.gz UQOHQMVZRPZXTA-VYDXJSESSA-N 1 3 318.465 2.037 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[N@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001378191714 1152205500 /nfs/dbraw/zinc/20/55/00/1152205500.db2.gz HFOIXVMRLSVLLC-ZIAGYGMSSA-N 1 3 319.440 2.200 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[N@@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001378191714 1152205503 /nfs/dbraw/zinc/20/55/03/1152205503.db2.gz HFOIXVMRLSVLLC-ZIAGYGMSSA-N 1 3 319.440 2.200 20 0 DEADHO CC[C@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]CC1CC2(CCC2)C1 ZINC001378315423 1152289870 /nfs/dbraw/zinc/28/98/70/1152289870.db2.gz IDUFMMPJDWYSNG-CVEARBPZSA-N 1 3 309.498 2.391 20 0 DEADHO CCCC[NH2+]CC1(NC(=O)Cc2nc[nH]c2C)CCCCC1 ZINC001329861215 1149005215 /nfs/dbraw/zinc/00/52/15/1149005215.db2.gz OSIVJQACYOMVLL-UHFFFAOYSA-N 1 3 306.454 2.469 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001398572737 1160991116 /nfs/dbraw/zinc/99/11/16/1160991116.db2.gz HPYLZXWHCNSXAK-GWEOLNPGSA-N 1 3 309.498 2.390 20 0 DEADHO CC(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001398590981 1161006174 /nfs/dbraw/zinc/00/61/74/1161006174.db2.gz ZHQRNPKRKUJHNC-IRXDYDNUSA-N 1 3 309.498 2.296 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@@H+]1CC1CC1 ZINC001089058824 782142518 /nfs/dbraw/zinc/14/25/18/782142518.db2.gz KQSVFQOZVNKTLA-KDOFPFPSSA-N 1 3 315.461 2.351 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@H+]1CC1CC1 ZINC001089058824 782142525 /nfs/dbraw/zinc/14/25/25/782142525.db2.gz KQSVFQOZVNKTLA-KDOFPFPSSA-N 1 3 315.461 2.351 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CCC(F)(F)F ZINC001400807170 1161825652 /nfs/dbraw/zinc/82/56/52/1161825652.db2.gz VCCRPTLNTAJZMW-OLZOCXBDSA-N 1 3 323.403 2.298 20 0 DEADHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccncc1Cl ZINC000421837856 533856591 /nfs/dbraw/zinc/85/65/91/533856591.db2.gz UDPAPLITZKVRED-ZDUSSCGKSA-N 1 3 310.873 2.412 20 0 DEADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H](C)C[C@H](C)[NH3+] ZINC000422827319 533870964 /nfs/dbraw/zinc/87/09/64/533870964.db2.gz SDCBQXUQXIBESD-QWRGUYRKSA-N 1 3 313.829 2.393 20 0 DEADHO C[C@H]1CN(CC2CC[NH+](CCC3(O)CCC3)CC2)C[C@H](C)O1 ZINC000411219205 533921708 /nfs/dbraw/zinc/92/17/08/533921708.db2.gz PUBSJECEDHUXRX-HOTGVXAUSA-N 1 3 310.482 2.113 20 0 DEADHO COc1ccccc1C1(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000422847355 533999530 /nfs/dbraw/zinc/99/95/30/533999530.db2.gz RGWZUGDDKYRBCJ-SQWLQELKSA-N 1 3 304.434 2.069 20 0 DEADHO COc1ccccc1C1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)CC1 ZINC000422847355 533999547 /nfs/dbraw/zinc/99/95/47/533999547.db2.gz RGWZUGDDKYRBCJ-SQWLQELKSA-N 1 3 304.434 2.069 20 0 DEADHO CC[C@H](C(=O)N(C)CC[N@H+](C)C[C@H]1CCC(F)(F)C1)N(C)C ZINC001401436670 1161994187 /nfs/dbraw/zinc/99/41/87/1161994187.db2.gz XEEKOOBBBQSLEL-UONOGXRCSA-N 1 3 319.440 2.152 20 0 DEADHO CC[C@H](C(=O)N(C)CC[N@@H+](C)C[C@H]1CCC(F)(F)C1)N(C)C ZINC001401436670 1161994191 /nfs/dbraw/zinc/99/41/91/1161994191.db2.gz XEEKOOBBBQSLEL-UONOGXRCSA-N 1 3 319.440 2.152 20 0 DEADHO Cc1ccc(CN[C@H](C)C[C@H](C)[NH3+])c(-n2cc(Cl)cn2)n1 ZINC000423066848 534088856 /nfs/dbraw/zinc/08/88/56/534088856.db2.gz FNSURRQZARQSIN-CMPLNLGQSA-N 1 3 307.829 2.445 20 0 DEADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1cn2ccccc2n1 ZINC000422819985 534179851 /nfs/dbraw/zinc/17/98/51/534179851.db2.gz OREWYUHEMHPGQU-MAUKXSAKSA-N 1 3 308.429 2.425 20 0 DEADHO CCN(CCNC(=O)NCC1([NH+](C)C)CCCCCC1)C1CC1 ZINC000338478135 521057104 /nfs/dbraw/zinc/05/71/04/521057104.db2.gz UBGJLZVWYCIFEP-UHFFFAOYSA-N 1 3 324.513 2.425 20 0 DEADHO CN(C)CCOc1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000338158209 521799095 /nfs/dbraw/zinc/79/90/95/521799095.db2.gz YQWFOTFYNFFCLD-MSOLQXFVSA-N 1 3 317.477 2.343 20 0 DEADHO CN(C)CCOc1ccc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000338158209 521799103 /nfs/dbraw/zinc/79/91/03/521799103.db2.gz YQWFOTFYNFFCLD-MSOLQXFVSA-N 1 3 317.477 2.343 20 0 DEADHO CN1CCC(O)(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000337342457 523781741 /nfs/dbraw/zinc/78/17/41/523781741.db2.gz RIURLTGUWNODDA-WBVHZDCISA-N 1 3 303.450 2.154 20 0 DEADHO C(CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)COC1CCCCC1 ZINC000422780978 527485993 /nfs/dbraw/zinc/48/59/93/527485993.db2.gz IDIDYUOVHYSSJL-OKZBNKHCSA-N 1 3 310.482 2.473 20 0 DEADHO CC(C)(C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)[C@H](N)c1ccccc1 ZINC000331369584 527506142 /nfs/dbraw/zinc/50/61/42/527506142.db2.gz BEQCZBKQOXWERJ-APWZRJJASA-N 1 3 315.461 2.315 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000448213234 527986349 /nfs/dbraw/zinc/98/63/49/527986349.db2.gz OABXQOFYJHEXTN-BBWFWOEESA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000448213234 527986352 /nfs/dbraw/zinc/98/63/52/527986352.db2.gz OABXQOFYJHEXTN-BBWFWOEESA-N 1 3 324.513 2.136 20 0 DEADHO CCC[C@H](C)C(=O)NCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423124369 528017242 /nfs/dbraw/zinc/01/72/42/528017242.db2.gz GIUVAJLTFIIVCR-YLFCFFPRSA-N 1 3 309.498 2.439 20 0 DEADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000447953769 528251779 /nfs/dbraw/zinc/25/17/79/528251779.db2.gz JRCSGCNARNRWEK-HOTGVXAUSA-N 1 3 324.513 2.138 20 0 DEADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000447953769 528251784 /nfs/dbraw/zinc/25/17/84/528251784.db2.gz JRCSGCNARNRWEK-HOTGVXAUSA-N 1 3 324.513 2.138 20 0 DEADHO CC[NH2+][C@H](C)CNC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000418594587 528404505 /nfs/dbraw/zinc/40/45/05/528404505.db2.gz UXVMKNPFXCTXLH-OAHLLOKOSA-N 1 3 320.481 2.194 20 0 DEADHO CC[NH2+][C@H](C)CNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000418179852 528413056 /nfs/dbraw/zinc/41/30/56/528413056.db2.gz JXRIIFHAMAUVFW-VYDXJSESSA-N 1 3 320.481 2.283 20 0 DEADHO CCC[NH2+][C@@H](C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000294726652 528540129 /nfs/dbraw/zinc/54/01/29/528540129.db2.gz IOJLLAQBHYFXFU-KBPBESRZSA-N 1 3 309.479 2.389 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000295774215 528549081 /nfs/dbraw/zinc/54/90/81/528549081.db2.gz QZEGKSBHIRKVBU-CQSZACIVSA-N 1 3 309.429 2.104 20 0 DEADHO CCCOc1cccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)c1 ZINC000422987765 528752207 /nfs/dbraw/zinc/75/22/07/528752207.db2.gz HJXLIDGCWIQCFR-BMGDILEWSA-N 1 3 306.450 2.360 20 0 DEADHO CCCOc1cccc(CCN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])c1 ZINC000422987765 528752212 /nfs/dbraw/zinc/75/22/12/528752212.db2.gz HJXLIDGCWIQCFR-BMGDILEWSA-N 1 3 306.450 2.360 20 0 DEADHO CCOCCOCc1cccc(C[NH2+][C@H]2CNCC[C@H]2C)c1 ZINC000422859939 528811321 /nfs/dbraw/zinc/81/13/21/528811321.db2.gz KREUPQCSXNRQBN-QAPCUYQASA-N 1 3 306.450 2.327 20 0 DEADHO CCCC[C@@H](C[NH3+])NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000417993521 528812821 /nfs/dbraw/zinc/81/28/21/528812821.db2.gz XVOAWTDQCXASTH-WBVHZDCISA-N 1 3 320.481 2.324 20 0 DEADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000448044432 529048984 /nfs/dbraw/zinc/04/89/84/529048984.db2.gz TXIZINYDFMFJKX-JKSUJKDBSA-N 1 3 324.513 2.138 20 0 DEADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000448044432 529048991 /nfs/dbraw/zinc/04/89/91/529048991.db2.gz TXIZINYDFMFJKX-JKSUJKDBSA-N 1 3 324.513 2.138 20 0 DEADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000448044429 529084295 /nfs/dbraw/zinc/08/42/95/529084295.db2.gz TXIZINYDFMFJKX-CVEARBPZSA-N 1 3 324.513 2.138 20 0 DEADHO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000448044429 529084301 /nfs/dbraw/zinc/08/43/01/529084301.db2.gz TXIZINYDFMFJKX-CVEARBPZSA-N 1 3 324.513 2.138 20 0 DEADHO CC[C@@H](NCCc1ccc(OCCN(C)C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422743462 529168767 /nfs/dbraw/zinc/16/87/67/529168767.db2.gz RKJJZSPHKGCLND-MOPGFXCFSA-N 1 3 319.493 2.290 20 0 DEADHO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCNC(C)(C)C1)c1ccco1 ZINC000418166776 529182614 /nfs/dbraw/zinc/18/26/14/529182614.db2.gz LTKFNWILPYIYQT-UONOGXRCSA-N 1 3 322.453 2.102 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](N)c1ccccc1 ZINC000417709275 529200976 /nfs/dbraw/zinc/20/09/76/529200976.db2.gz WOKHGEMVUSQTQL-IRXDYDNUSA-N 1 3 318.465 2.250 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](N)c1ccccc1 ZINC000417709275 529200979 /nfs/dbraw/zinc/20/09/79/529200979.db2.gz WOKHGEMVUSQTQL-IRXDYDNUSA-N 1 3 318.465 2.250 20 0 DEADHO CC(C)[C@H](N)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000163889932 535056759 /nfs/dbraw/zinc/05/67/59/535056759.db2.gz UBTFOMYRQIVXHM-KRWDZBQOSA-N 1 3 303.450 2.272 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)CC1 ZINC000191456358 535198621 /nfs/dbraw/zinc/19/86/21/535198621.db2.gz XUJCWTXPPQYILI-QGZVFWFLSA-N 1 3 319.497 2.005 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)CC1 ZINC000191456358 535198623 /nfs/dbraw/zinc/19/86/23/535198623.db2.gz XUJCWTXPPQYILI-QGZVFWFLSA-N 1 3 319.497 2.005 20 0 DEADHO CCCC[N@H+](C)CC1CCN(CCN2CCO[C@H](C)C2)CC1 ZINC000191455784 535214786 /nfs/dbraw/zinc/21/47/86/535214786.db2.gz VNVGZINULUTPGW-QGZVFWFLSA-N 1 3 311.514 2.151 20 0 DEADHO CCCC[N@@H+](C)CC1CCN(CCN2CCO[C@H](C)C2)CC1 ZINC000191455784 535214789 /nfs/dbraw/zinc/21/47/89/535214789.db2.gz VNVGZINULUTPGW-QGZVFWFLSA-N 1 3 311.514 2.151 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NC[C@H]1CCC[N@@H+]1CCC ZINC000358320417 535330984 /nfs/dbraw/zinc/33/09/84/535330984.db2.gz ZZURNBLZGXUONL-QGZVFWFLSA-N 1 3 324.513 2.378 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NC[C@H]1CCC[N@H+]1CCC ZINC000358320417 535330988 /nfs/dbraw/zinc/33/09/88/535330988.db2.gz ZZURNBLZGXUONL-QGZVFWFLSA-N 1 3 324.513 2.378 20 0 DEADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@H](C)NC2CC2)c1 ZINC000449094562 535607978 /nfs/dbraw/zinc/60/79/78/535607978.db2.gz SDDWDNLFFKSLIW-AWEZNQCLSA-N 1 3 303.450 2.285 20 0 DEADHO CN(C)CCOc1cccc(NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000261870825 535911093 /nfs/dbraw/zinc/91/10/93/535911093.db2.gz LJNLVPUINUCEBJ-WMLDXEAASA-N 1 3 319.449 2.473 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C[C@@H](N)c3ccccc3)CC[C@H]21 ZINC000262316017 536377259 /nfs/dbraw/zinc/37/72/59/536377259.db2.gz QIGNTBNEINKPSB-BRWVUGGUSA-N 1 3 301.434 2.019 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C[C@@H](N)c3ccccc3)CC[C@H]21 ZINC000262316017 536377260 /nfs/dbraw/zinc/37/72/60/536377260.db2.gz QIGNTBNEINKPSB-BRWVUGGUSA-N 1 3 301.434 2.019 20 0 DEADHO COCCN(CCC1CC[NH2+]CC1)Cc1ccc2c(c1)OCO2 ZINC000359228557 536832415 /nfs/dbraw/zinc/83/24/15/536832415.db2.gz XRTWNFMXGXIIQD-UHFFFAOYSA-N 1 3 320.433 2.253 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)CC[N@@H+]1CCC1CC1 ZINC001368696389 1148587555 /nfs/dbraw/zinc/58/75/55/1148587555.db2.gz QPNSHIZQZUJIFU-GDBMZVCRSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)CC[N@H+]1CCC1CC1 ZINC001368696389 1148587575 /nfs/dbraw/zinc/58/75/75/1148587575.db2.gz QPNSHIZQZUJIFU-GDBMZVCRSA-N 1 3 307.482 2.240 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1CC(C)(C)C1 ZINC001379374294 1152616457 /nfs/dbraw/zinc/61/64/57/1152616457.db2.gz XQWYGTIOYRIICH-ZBFHGGJFSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCc2ccccc21)N(C)C ZINC001379384948 1152617841 /nfs/dbraw/zinc/61/78/41/1152617841.db2.gz NPBPETWLUFPMSE-JLSDUUJJSA-N 1 3 317.477 2.354 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCc2ccccc21)N(C)C ZINC001379384957 1152617941 /nfs/dbraw/zinc/61/79/41/1152617941.db2.gz NPBPETWLUFPMSE-OLMNPRSZSA-N 1 3 317.477 2.354 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(C)C)[C@H]2C1 ZINC001379634005 1152659245 /nfs/dbraw/zinc/65/92/45/1152659245.db2.gz YRUUJFCITQITJI-ULQDDVLXSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820402005 607014844 /nfs/dbraw/zinc/01/48/44/607014844.db2.gz BHBJMPHNENJNBX-STQMWFEESA-N 1 3 314.437 2.248 20 0 DEADHO C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820402005 607014846 /nfs/dbraw/zinc/01/48/46/607014846.db2.gz BHBJMPHNENJNBX-STQMWFEESA-N 1 3 314.437 2.248 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001381939132 1153281907 /nfs/dbraw/zinc/28/19/07/1153281907.db2.gz VYQSCDRIDSAGMR-GVDBMIGSSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001381939132 1153281914 /nfs/dbraw/zinc/28/19/14/1153281914.db2.gz VYQSCDRIDSAGMR-GVDBMIGSSA-N 1 3 309.498 2.199 20 0 DEADHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCCC(=O)NCc2ccccc2)C1 ZINC000925544318 625298503 /nfs/dbraw/zinc/29/85/03/625298503.db2.gz PRTNDMRNODGUTI-JKSUJKDBSA-N 1 3 303.450 2.189 20 0 DEADHO N[C@H](CC1CC1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309923675 625369383 /nfs/dbraw/zinc/36/93/83/625369383.db2.gz WSXPEEQLEXPDBE-ZWKOTPCHSA-N 1 3 315.461 2.142 20 0 DEADHO N[C@H](CC1CC1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309923675 625369385 /nfs/dbraw/zinc/36/93/85/625369385.db2.gz WSXPEEQLEXPDBE-ZWKOTPCHSA-N 1 3 315.461 2.142 20 0 DEADHO CC(C)CCN1CCC([NH2+][C@@H]2CCN(CC(F)F)C2)CC1 ZINC000926602185 625458543 /nfs/dbraw/zinc/45/85/43/625458543.db2.gz JYEUXVWUAYBYHA-OAHLLOKOSA-N 1 3 303.441 2.426 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)c(F)c2)C1)N(C)C ZINC000969986093 623038824 /nfs/dbraw/zinc/03/88/24/623038824.db2.gz RXDIAQMGGSRRIR-WBVHZDCISA-N 1 3 321.440 2.165 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2C)C1)N(C)C ZINC000969991260 623042168 /nfs/dbraw/zinc/04/21/68/623042168.db2.gz INACWZMFJYHOGN-SJORKVTESA-N 1 3 321.440 2.165 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H](C[NH2+]CC2CCC2)C1)N(C)C ZINC001024139763 625621166 /nfs/dbraw/zinc/62/11/66/625621166.db2.gz NQWMMOCRFSRYOF-IAGOWNOFSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2)C1)N(C)C ZINC001024161647 625643617 /nfs/dbraw/zinc/64/36/17/625643617.db2.gz MVQQCCJCKIJNTH-MSOLQXFVSA-N 1 3 317.477 2.355 20 0 DEADHO CC(C)=CCN1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000970327906 623403808 /nfs/dbraw/zinc/40/38/08/623403808.db2.gz HIUWUCCGXCIKOD-XHSDSOJGSA-N 1 3 307.482 2.119 20 0 DEADHO CC(C)=CCN1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000970327906 623403813 /nfs/dbraw/zinc/40/38/13/623403813.db2.gz HIUWUCCGXCIKOD-XHSDSOJGSA-N 1 3 307.482 2.119 20 0 DEADHO C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CN(CC2=CCCCC2)C1 ZINC000970365674 623420700 /nfs/dbraw/zinc/42/07/00/623420700.db2.gz DVNSUBSFLFOTGN-HNNXBMFYSA-N 1 3 319.493 2.265 20 0 DEADHO CN(C)CCN(C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)C1CCCC1 ZINC000892440940 625651009 /nfs/dbraw/zinc/65/10/09/625651009.db2.gz HABINOHQCKISHE-SHTZXODSSA-N 1 3 310.486 2.020 20 0 DEADHO CN(CCNC(=O)N1CCCCC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000891413102 624154423 /nfs/dbraw/zinc/15/44/23/624154423.db2.gz VNZWCMMYOVYTCG-QGZVFWFLSA-N 1 3 318.465 2.031 20 0 DEADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000891433864 624168284 /nfs/dbraw/zinc/16/82/84/624168284.db2.gz FONXEJDSHOKILS-GJZGRUSLSA-N 1 3 322.497 2.174 20 0 DEADHO CN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1CCCN(C)C1 ZINC000891434565 624168382 /nfs/dbraw/zinc/16/83/82/624168382.db2.gz ORNMGSGJLUQJAJ-AWEZNQCLSA-N 1 3 310.486 2.031 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC2CCCCC2)C1)C1CC1 ZINC000971676667 624500240 /nfs/dbraw/zinc/50/02/40/624500240.db2.gz GLNGGTADARLLMX-QZTJIDSGSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2CCCCC2)C1)C1CC1 ZINC000971676667 624500241 /nfs/dbraw/zinc/50/02/41/624500241.db2.gz GLNGGTADARLLMX-QZTJIDSGSA-N 1 3 321.509 2.440 20 0 DEADHO COCCCC1(C[NH+]2CCC(N(C)CCCO)CC2)CCC1 ZINC000892045379 624757918 /nfs/dbraw/zinc/75/79/18/624757918.db2.gz WRCKIGHUCSNIMO-UHFFFAOYSA-N 1 3 312.498 2.362 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001022711116 624862193 /nfs/dbraw/zinc/86/21/93/624862193.db2.gz SXQNHUSNJMUWCX-RYQLBKOJSA-N 1 3 315.461 2.216 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@H]3C)C2)cc1 ZINC001022711204 624862238 /nfs/dbraw/zinc/86/22/38/624862238.db2.gz UPCPWHGZQUZIEY-NXHRZFHOSA-N 1 3 315.461 2.216 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC001022716163 624869659 /nfs/dbraw/zinc/86/96/59/624869659.db2.gz RPPJAAIWJJPKCN-RYQLBKOJSA-N 1 3 315.461 2.074 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(C)c2)C1)N(C)C ZINC000972355557 624939494 /nfs/dbraw/zinc/93/94/94/624939494.db2.gz WMGSEIYFVWBHEB-MSOLQXFVSA-N 1 3 317.477 2.368 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(C)c2)C1)N(C)C ZINC000972355557 624939497 /nfs/dbraw/zinc/93/94/97/624939497.db2.gz WMGSEIYFVWBHEB-MSOLQXFVSA-N 1 3 317.477 2.368 20 0 DEADHO CC(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC000972484296 625118749 /nfs/dbraw/zinc/11/87/49/625118749.db2.gz BHIWBEHVGHMDLH-IRXDYDNUSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC000972484296 625118753 /nfs/dbraw/zinc/11/87/53/625118753.db2.gz BHIWBEHVGHMDLH-IRXDYDNUSA-N 1 3 309.498 2.438 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(C)C2)C1 ZINC001023130764 625165053 /nfs/dbraw/zinc/16/50/53/625165053.db2.gz HAOJXHMFOQGFJJ-GADNRMJZSA-N 1 3 307.482 2.144 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1)N(C)C ZINC001025088087 625202840 /nfs/dbraw/zinc/20/28/40/625202840.db2.gz QWRBDWCDMHDIKQ-MSOLQXFVSA-N 1 3 317.477 2.498 20 0 DEADHO c1ccc([C@H](CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)N2CCCC2)cc1 ZINC000328239222 625747502 /nfs/dbraw/zinc/74/75/02/625747502.db2.gz AQJHQOKSYHXMFR-SIRBJWHBSA-N 1 3 311.473 2.410 20 0 DEADHO CC[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946517605 634483253 /nfs/dbraw/zinc/48/32/53/634483253.db2.gz JIIOHNQYNDJXTM-WNRNVDISSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946517605 634483255 /nfs/dbraw/zinc/48/32/55/634483255.db2.gz JIIOHNQYNDJXTM-WNRNVDISSA-N 1 3 321.509 2.297 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC2CC(C)(C)C2)C1)C1CC1 ZINC000999367064 634576887 /nfs/dbraw/zinc/57/68/87/634576887.db2.gz DOAVTQYFFMRMEL-IAGOWNOFSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[NH2+]C1CC(N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000999399733 634578982 /nfs/dbraw/zinc/57/89/82/634578982.db2.gz GMQWFYIPYQSDBE-MQBCKMQZSA-N 1 3 313.461 2.186 20 0 DEADHO CCCN1CCC([NH2+]C[C@@H](O)c2cc(OC)ccc2OC)CC1 ZINC000236777740 634674155 /nfs/dbraw/zinc/67/41/55/634674155.db2.gz GBAVEUQCJMIOKX-QGZVFWFLSA-N 1 3 322.449 2.201 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001000195720 634784763 /nfs/dbraw/zinc/78/47/63/634784763.db2.gz ZUHSRSLSIYJVIG-FUHWJXTLSA-N 1 3 319.493 2.409 20 0 DEADHO O[C@H](CN1CC[C@@H](Cc2ccc(F)cc2)C1)C[NH+]1CCCC1 ZINC000736945059 634792721 /nfs/dbraw/zinc/79/27/21/634792721.db2.gz AUHMNROENYFNRE-WMZOPIPTSA-N 1 3 306.425 2.147 20 0 DEADHO CN(C)[C@@H](C(=O)N1C[C@H]([NH2+]CC2CCCC2)C(C)(C)C1)C1CC1 ZINC000995892908 633134445 /nfs/dbraw/zinc/13/44/45/633134445.db2.gz GLZBRZHJPQFJGF-DLBZAZTESA-N 1 3 321.509 2.343 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]CC2CCC2)C(C)(C)C1 ZINC000996301176 633231816 /nfs/dbraw/zinc/23/18/16/633231816.db2.gz RDSQPXSCLUIOCH-GDBMZVCRSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2ccsc2)C(C)(C)C1)N(C)C ZINC000996315954 633234990 /nfs/dbraw/zinc/23/49/90/633234990.db2.gz VLVHKTZCGUQFOQ-GJZGRUSLSA-N 1 3 323.506 2.415 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccccc2)C1)N(C)C ZINC001026902016 633250549 /nfs/dbraw/zinc/25/05/49/633250549.db2.gz YCUUMICKENSROO-MSOLQXFVSA-N 1 3 317.477 2.211 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)C1)N(C)C ZINC001026916108 633262292 /nfs/dbraw/zinc/26/22/92/633262292.db2.gz APEBGARHYUDVKS-DLBZAZTESA-N 1 3 307.482 2.265 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2csc(C)c2)C1)N(C)C ZINC001026916504 633263129 /nfs/dbraw/zinc/26/31/29/633263129.db2.gz ITWYJZNMFMWEOI-GOEBONIOSA-N 1 3 323.506 2.335 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001027069898 633418951 /nfs/dbraw/zinc/41/89/51/633418951.db2.gz DPVGNYMXYIQSGS-ZBFHGGJFSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[NH2+]C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000997003607 633560880 /nfs/dbraw/zinc/56/08/80/633560880.db2.gz COQUXIWZUVANNX-KRWDZBQOSA-N 1 3 313.461 2.188 20 0 DEADHO CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@@H](n2cccn2)C(F)(F)F)C1 ZINC000925724526 633694409 /nfs/dbraw/zinc/69/44/09/633694409.db2.gz ZLDNJDMNXXOLDU-IJLUTSLNSA-N 1 3 304.360 2.482 20 0 DEADHO CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC000997332723 633701974 /nfs/dbraw/zinc/70/19/74/633701974.db2.gz IIVRDGDOGSCISN-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO Cc1cccc(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000997306727 633704778 /nfs/dbraw/zinc/70/47/78/633704778.db2.gz JQAAHWVNAYQNOF-UHFFFAOYSA-N 1 3 315.461 2.171 20 0 DEADHO CN(CC(=O)N1CCC(C[NH2+]CC2CCC2)CC1)C1CCC1 ZINC000997831480 634003120 /nfs/dbraw/zinc/00/31/20/634003120.db2.gz TUQCGCYFCTZKCS-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CC1 ZINC001027879812 634853203 /nfs/dbraw/zinc/85/32/03/634853203.db2.gz YNQRCHMRPVSDTI-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1CC1 ZINC001027879812 634853206 /nfs/dbraw/zinc/85/32/06/634853206.db2.gz YNQRCHMRPVSDTI-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC(C)C)C[C@@H]2C1 ZINC000980233043 634908426 /nfs/dbraw/zinc/90/84/26/634908426.db2.gz RTKMUPPUXKSADG-OWCLPIDISA-N 1 3 318.465 2.133 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC(C)C)C[C@@H]2C1 ZINC000980233043 634908427 /nfs/dbraw/zinc/90/84/27/634908427.db2.gz RTKMUPPUXKSADG-OWCLPIDISA-N 1 3 318.465 2.133 20 0 DEADHO CC[NH2+]C[C@@H]1C[C@H](C)N(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000980811040 635164295 /nfs/dbraw/zinc/16/42/95/635164295.db2.gz GLDNZMYKPIVWBK-HOCLYGCPSA-N 1 3 303.450 2.208 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[N@H+](CC2CC(C)C2)CC1 ZINC000981143798 635330423 /nfs/dbraw/zinc/33/04/23/635330423.db2.gz VSTDWDOBOFBIDU-ABHNRTSZSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[N@@H+](CC2CC(C)C2)CC1 ZINC000981143798 635330427 /nfs/dbraw/zinc/33/04/27/635330427.db2.gz VSTDWDOBOFBIDU-ABHNRTSZSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CCC[C@@H]([NH2+]CC2CC2)C1)N1CCCC1 ZINC000981269982 635413009 /nfs/dbraw/zinc/41/30/09/635413009.db2.gz FTROHCGRNVISBA-HZPDHXFCSA-N 1 3 307.482 2.288 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CCC[N@H+](CC2CC(C)C2)CC1 ZINC000981282671 635421154 /nfs/dbraw/zinc/42/11/54/635421154.db2.gz ITGWTQKQNSDPMG-ABHNRTSZSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CCC[N@@H+](CC2CC(C)C2)CC1 ZINC000981282671 635421157 /nfs/dbraw/zinc/42/11/57/635421157.db2.gz ITGWTQKQNSDPMG-ABHNRTSZSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCCN(C(=O)[C@@H](C2CC2)N2CCCC2)CC1 ZINC000981682273 635593102 /nfs/dbraw/zinc/59/31/02/635593102.db2.gz KIHMTAXEUNVNQP-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCCN(C(=O)[C@@H](C2CC2)N2CCCC2)CC1 ZINC000981682273 635593105 /nfs/dbraw/zinc/59/31/05/635593105.db2.gz KIHMTAXEUNVNQP-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H](F)CCN1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000981743334 635623438 /nfs/dbraw/zinc/62/34/38/635623438.db2.gz XTMKPKRXUQZGPH-HNNXBMFYSA-N 1 3 313.461 2.143 20 0 DEADHO CN(C)C1(C(=O)N2CC3(C2)CCC[N@H+](CCC2CC2)C3)CCC1 ZINC000981810439 635666411 /nfs/dbraw/zinc/66/64/11/635666411.db2.gz QZHBSIKDYYSMDF-UHFFFAOYSA-N 1 3 319.493 2.195 20 0 DEADHO CN(C)C1(C(=O)N2CC3(C2)CCC[N@@H+](CCC2CC2)C3)CCC1 ZINC000981810439 635666415 /nfs/dbraw/zinc/66/64/15/635666415.db2.gz QZHBSIKDYYSMDF-UHFFFAOYSA-N 1 3 319.493 2.195 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC000981812262 635666920 /nfs/dbraw/zinc/66/69/20/635666920.db2.gz LXDDDGDKXAYVGV-NVXWUHKLSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC000981812262 635666923 /nfs/dbraw/zinc/66/69/23/635666923.db2.gz LXDDDGDKXAYVGV-NVXWUHKLSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)=CC[N@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC000981992192 635796330 /nfs/dbraw/zinc/79/63/30/635796330.db2.gz RPUKPHOFKMJJAZ-QGZVFWFLSA-N 1 3 321.509 2.463 20 0 DEADHO CC(C)=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC000981992192 635796332 /nfs/dbraw/zinc/79/63/32/635796332.db2.gz RPUKPHOFKMJJAZ-QGZVFWFLSA-N 1 3 321.509 2.463 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](CCCC3CCC3)CC2)C1 ZINC001003629518 636007849 /nfs/dbraw/zinc/00/78/49/636007849.db2.gz BPNHAEMWLVGBGO-MRXNPFEDSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@H]2CCCN(C)C2)C1 ZINC000893769812 636033493 /nfs/dbraw/zinc/03/34/93/636033493.db2.gz AWUNVHNTESWAJX-IRXDYDNUSA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(C)[C@H]2CCCN(C)C2)C1 ZINC000893769812 636033494 /nfs/dbraw/zinc/03/34/94/636033494.db2.gz AWUNVHNTESWAJX-IRXDYDNUSA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001003740454 636043551 /nfs/dbraw/zinc/04/35/51/636043551.db2.gz KFVWEVWMSHHMRM-QGZVFWFLSA-N 1 3 309.498 2.486 20 0 DEADHO Cc1ccnc(N)c1C[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000894096108 636111574 /nfs/dbraw/zinc/11/15/74/636111574.db2.gz UEUDRXGRMABNBD-PBHICJAKSA-N 1 3 300.450 2.421 20 0 DEADHO Cc1ccnc(N)c1C[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000894096108 636111576 /nfs/dbraw/zinc/11/15/76/636111576.db2.gz UEUDRXGRMABNBD-PBHICJAKSA-N 1 3 300.450 2.421 20 0 DEADHO Cc1ccnc(N)c1C[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000894096123 636111646 /nfs/dbraw/zinc/11/16/46/636111646.db2.gz UEUDRXGRMABNBD-YOEHRIQHSA-N 1 3 300.450 2.421 20 0 DEADHO Cc1ccnc(N)c1C[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000894096123 636111649 /nfs/dbraw/zinc/11/16/49/636111649.db2.gz UEUDRXGRMABNBD-YOEHRIQHSA-N 1 3 300.450 2.421 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001028333448 636133505 /nfs/dbraw/zinc/13/35/05/636133505.db2.gz LGLSHJZCUUFXFZ-KRWDZBQOSA-N 1 3 315.461 2.352 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CCC[N@H+]1CC1CC1 ZINC001028333448 636133507 /nfs/dbraw/zinc/13/35/07/636133507.db2.gz LGLSHJZCUUFXFZ-KRWDZBQOSA-N 1 3 315.461 2.352 20 0 DEADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCN2C)CC1 ZINC000922575321 636248529 /nfs/dbraw/zinc/24/85/29/636248529.db2.gz GTLKPAXZLLQBQG-SFHVURJKSA-N 1 3 316.493 2.012 20 0 DEADHO FC(F)(F)CN1CCC[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000922709805 636339966 /nfs/dbraw/zinc/33/99/66/636339966.db2.gz PCMSSJNTAVUFCQ-MGPQQGTHSA-N 1 3 305.388 2.230 20 0 DEADHO FC(F)(F)CN1CCC[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000922709805 636339970 /nfs/dbraw/zinc/33/99/70/636339970.db2.gz PCMSSJNTAVUFCQ-MGPQQGTHSA-N 1 3 305.388 2.230 20 0 DEADHO CC(C)CC[NH+]1CCC(N(C)C(=O)CN2CCC[C@@H]2C)CC1 ZINC001005990439 637044947 /nfs/dbraw/zinc/04/49/47/637044947.db2.gz GXIKEVVLTWDASN-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)C2CC[NH+](CC3CCC3)CC2)C1 ZINC001005990021 637045282 /nfs/dbraw/zinc/04/52/82/637045282.db2.gz BZIGDCHHYCKTLP-OAHLLOKOSA-N 1 3 307.482 2.051 20 0 DEADHO Cc1ccc([C@@H]2CSCCN2C[C@@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923316563 637107173 /nfs/dbraw/zinc/10/71/73/637107173.db2.gz PCEJLPVYULCJIR-IRXDYDNUSA-N 1 3 318.486 2.463 20 0 DEADHO COC(=O)c1cncc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000923358266 637133310 /nfs/dbraw/zinc/13/33/10/637133310.db2.gz GMMAPZWSOJAUCF-CVEARBPZSA-N 1 3 317.433 2.080 20 0 DEADHO CN(C(=O)Cc1c[nH]cn1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001006062695 637137864 /nfs/dbraw/zinc/13/78/64/637137864.db2.gz CUJLCUDRQYVMCP-UHFFFAOYSA-N 1 3 318.465 2.455 20 0 DEADHO N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1cccc2ccccc21 ZINC000923381468 637148841 /nfs/dbraw/zinc/14/88/41/637148841.db2.gz IVLCWFKTKQBHCX-KBAYOESNSA-N 1 3 314.429 2.439 20 0 DEADHO CCc1onc(C)c1CN1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000923391909 637153596 /nfs/dbraw/zinc/15/35/96/637153596.db2.gz GQWFPWLUQJRTHL-YSVLISHTSA-N 1 3 307.438 2.406 20 0 DEADHO COc1ccc(CN2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1F ZINC000923455012 637186590 /nfs/dbraw/zinc/18/65/90/637186590.db2.gz KHTDATSOERUDBR-AWEZNQCLSA-N 1 3 308.397 2.164 20 0 DEADHO COc1c(C)cnc(CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1C ZINC000923451950 637189130 /nfs/dbraw/zinc/18/91/30/637189130.db2.gz RDJYEKATNNLRCL-OAHLLOKOSA-N 1 3 319.449 2.037 20 0 DEADHO Cc1cc(C)c(N2CC[C@H](N3CC[C@H](CC[NH3+])C3)C2=O)c(C)c1 ZINC000923480501 637202729 /nfs/dbraw/zinc/20/27/29/637202729.db2.gz HUGQDDIVLRLAJZ-IRXDYDNUSA-N 1 3 315.461 2.388 20 0 DEADHO C[C@H](C(=O)Nc1cccc2ncccc21)N1CC[C@H](CC[NH3+])C1 ZINC000923482628 637204578 /nfs/dbraw/zinc/20/45/78/637204578.db2.gz GLTKJFCTOWYAHB-KGLIPLIRSA-N 1 3 312.417 2.233 20 0 DEADHO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N1CC[C@H](CC[NH3+])C1 ZINC000923486156 637206434 /nfs/dbraw/zinc/20/64/34/637206434.db2.gz NXTKDPZBTGKSSV-ILXRZTDVSA-N 1 3 321.490 2.471 20 0 DEADHO C[C@H](C(=O)N1CCCc2ccccc21)N1CC[C@H](CC[NH3+])C1 ZINC000923493428 637212008 /nfs/dbraw/zinc/21/20/08/637212008.db2.gz UUPXJPXTTASMBS-CABCVRRESA-N 1 3 301.434 2.025 20 0 DEADHO CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923501488 637218285 /nfs/dbraw/zinc/21/82/85/637218285.db2.gz SNIARRUPGCNLMC-GRDNDAEWSA-N 1 3 319.449 2.329 20 0 DEADHO CCOc1ccc(NC(=O)[C@H](C)N2CC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923501525 637218900 /nfs/dbraw/zinc/21/89/00/637218900.db2.gz SSWURDUHXOOBLQ-QLFBSQMISA-N 1 3 319.449 2.329 20 0 DEADHO C[C@@H](C(=O)NC(C)(C)C)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923503870 637219012 /nfs/dbraw/zinc/21/90/12/637219012.db2.gz PYLLLSVPBVFIPL-LSDHHAIUSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923504944 637219947 /nfs/dbraw/zinc/21/99/47/637219947.db2.gz XBCGZBFMLIGFFY-JYYAWHABSA-N 1 3 315.461 2.269 20 0 DEADHO C[C@H]1[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CCN1C ZINC000928439590 637238266 /nfs/dbraw/zinc/23/82/66/637238266.db2.gz IWSHQCURRKUZGE-WMLDXEAASA-N 1 3 301.434 2.105 20 0 DEADHO C[C@H]([NH2+]CC1CCC1)C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001029144011 637275182 /nfs/dbraw/zinc/27/51/82/637275182.db2.gz AMUDGWMPEKEJTJ-HOTGVXAUSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](C[NH2+]CC[C@H](C)N(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000895291870 637892617 /nfs/dbraw/zinc/89/26/17/637892617.db2.gz IKSBNQCLBMERNM-KGLIPLIRSA-N 1 3 312.479 2.123 20 0 DEADHO C[C@H](CNCC[C@H](C)[NH+](C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000895291870 637892619 /nfs/dbraw/zinc/89/26/19/637892619.db2.gz IKSBNQCLBMERNM-KGLIPLIRSA-N 1 3 312.479 2.123 20 0 DEADHO CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1)N1CCCC1 ZINC001029419230 637895316 /nfs/dbraw/zinc/89/53/16/637895316.db2.gz KUIGCVOKZNAVCJ-CALCHBBNSA-N 1 3 319.493 2.336 20 0 DEADHO CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1)N1CCCC1 ZINC001029419230 637895322 /nfs/dbraw/zinc/89/53/22/637895322.db2.gz KUIGCVOKZNAVCJ-CALCHBBNSA-N 1 3 319.493 2.336 20 0 DEADHO CC1=NO[C@H](CNCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000895311078 637913910 /nfs/dbraw/zinc/91/39/10/637913910.db2.gz OCKRLMIDKSFJCZ-SFHVURJKSA-N 1 3 317.433 2.416 20 0 DEADHO O=C(NCCC[NH2+]C1CCCCC1)[C@@H]1CCN1C1CCCC1 ZINC000896445494 638527787 /nfs/dbraw/zinc/52/77/87/638527787.db2.gz RFTFVPAKQNQERN-KRWDZBQOSA-N 1 3 307.482 2.432 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC2)C1 ZINC000984884928 638716372 /nfs/dbraw/zinc/71/63/72/638716372.db2.gz TZKCNDNMYBZJQQ-ULQDDVLXSA-N 1 3 307.482 2.144 20 0 DEADHO C[NH2+]CCC1CCN([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000262475618 639248823 /nfs/dbraw/zinc/24/88/23/639248823.db2.gz JPOOCRXPDGQXKN-KRWDZBQOSA-N 1 3 301.434 2.261 20 0 DEADHO CC[N@H+](C)C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000985646873 639559564 /nfs/dbraw/zinc/55/95/64/639559564.db2.gz MDAMMTLWRGAUFO-KRWDZBQOSA-N 1 3 313.461 2.142 20 0 DEADHO CC[N@@H+](C)C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000985646873 639559570 /nfs/dbraw/zinc/55/95/70/639559570.db2.gz MDAMMTLWRGAUFO-KRWDZBQOSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@@H](CC[NH2+][C@H]1C(=O)NCC1(C)C)N(C)Cc1ccccc1 ZINC000925208828 639591992 /nfs/dbraw/zinc/59/19/92/639591992.db2.gz RMQUUVJCAFOXEJ-HOCLYGCPSA-N 1 3 303.450 2.011 20 0 DEADHO CC1CC(C[N@H+](C)CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001029947338 639921450 /nfs/dbraw/zinc/92/14/50/639921450.db2.gz NKRFHHGCBSREHH-VJFUWPCTSA-N 1 3 321.509 2.297 20 0 DEADHO CC1CC(C[N@@H+](C)CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001029947338 639921454 /nfs/dbraw/zinc/92/14/54/639921454.db2.gz NKRFHHGCBSREHH-VJFUWPCTSA-N 1 3 321.509 2.297 20 0 DEADHO Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H]2C)c1 ZINC000987059748 640072422 /nfs/dbraw/zinc/07/24/22/640072422.db2.gz SFBUGHFNLRMRGM-RHSMWYFYSA-N 1 3 312.417 2.040 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc(Cl)n1 ZINC000841847100 650577694 /nfs/dbraw/zinc/57/76/94/650577694.db2.gz ZGYOPLQFBXVBLK-BNOWGMLFSA-N 1 3 324.856 2.162 20 0 DEADHO C[C@H](CC(=O)Nc1cccnc1Cl)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000766383159 640875095 /nfs/dbraw/zinc/87/50/95/640875095.db2.gz QPNSSYBRXLIASC-CHWSQXEVSA-N 1 3 324.856 2.384 20 0 DEADHO C[C@H](CC(=O)Nc1cccnc1Cl)NCC[N@H+]1CC[C@@H](C)C1 ZINC000766383159 640875100 /nfs/dbraw/zinc/87/51/00/640875100.db2.gz QPNSSYBRXLIASC-CHWSQXEVSA-N 1 3 324.856 2.384 20 0 DEADHO C[C@@H](c1ccccc1)N1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000989665673 641188781 /nfs/dbraw/zinc/18/87/81/641188781.db2.gz KGTVHHAOKRALGE-FUHWJXTLSA-N 1 3 315.461 2.234 20 0 DEADHO C[C@@H](c1ccccc1)N1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000989665673 641188787 /nfs/dbraw/zinc/18/87/87/641188787.db2.gz KGTVHHAOKRALGE-FUHWJXTLSA-N 1 3 315.461 2.234 20 0 DEADHO Cc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000990243389 641408508 /nfs/dbraw/zinc/40/85/08/641408508.db2.gz GBLSLXZXJZWZHY-SFHVURJKSA-N 1 3 315.461 2.170 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cnn(C3CCC3)c2)CC1 ZINC000924670217 641566245 /nfs/dbraw/zinc/56/62/45/641566245.db2.gz LWGSDGRYXTUUTM-CVEARBPZSA-N 1 3 319.497 2.285 20 0 DEADHO CCC1([NH+]2CCC2)CCN(C(=O)[C@H]2CCN2C2CCCC2)CC1 ZINC000899554126 642103683 /nfs/dbraw/zinc/10/36/83/642103683.db2.gz YKYRPDWKXXRFAW-QGZVFWFLSA-N 1 3 319.493 2.480 20 0 DEADHO CN(C)CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C1CCCC1 ZINC000900685307 642444103 /nfs/dbraw/zinc/44/41/03/642444103.db2.gz RABXFMCJCCXOGI-IRXDYDNUSA-N 1 3 307.482 2.336 20 0 DEADHO CN(C)CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C1CCCC1 ZINC000900685307 642444109 /nfs/dbraw/zinc/44/41/09/642444109.db2.gz RABXFMCJCCXOGI-IRXDYDNUSA-N 1 3 307.482 2.336 20 0 DEADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Cc1c[nH]cn1 ZINC000901041828 642552203 /nfs/dbraw/zinc/55/22/03/642552203.db2.gz DGXMDGWGCIQMPS-UHFFFAOYSA-N 1 3 320.462 2.384 20 0 DEADHO COc1ccc2c(NCCN3CCCOCC3)cc[nH+]c2c1 ZINC000782417342 642879996 /nfs/dbraw/zinc/87/99/96/642879996.db2.gz LDJQNCZADFMIQG-UHFFFAOYSA-N 1 3 301.390 2.378 20 0 DEADHO COC[C@](C)(O)CN[C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902360297 643019453 /nfs/dbraw/zinc/01/94/53/643019453.db2.gz KLPFZSBCKAULQT-HZPDHXFCSA-N 1 3 316.392 2.122 20 0 DEADHO CC1(C)C[NH2+]CC[C@@H](NCCn2cc(Br)cn2)C1 ZINC000902384932 643024429 /nfs/dbraw/zinc/02/44/29/643024429.db2.gz PXDMUNMINKLWOT-GFCCVEGCSA-N 1 3 315.259 2.013 20 0 DEADHO C[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000902384620 643025026 /nfs/dbraw/zinc/02/50/26/643025026.db2.gz SSDWJTBILHYBHT-QEORTHHSSA-N 1 3 320.433 2.205 20 0 DEADHO OC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)Cc1ccco1 ZINC000903111849 643252937 /nfs/dbraw/zinc/25/29/37/643252937.db2.gz CYFGHGJHDDXWMQ-ZBSSRIJBSA-N 1 3 304.434 2.178 20 0 DEADHO OC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)Cc1ccco1 ZINC000903111849 643252942 /nfs/dbraw/zinc/25/29/42/643252942.db2.gz CYFGHGJHDDXWMQ-ZBSSRIJBSA-N 1 3 304.434 2.178 20 0 DEADHO OCc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903130923 643262553 /nfs/dbraw/zinc/26/25/53/643262553.db2.gz GAUZAKIPFTYIIF-JLYLLQBASA-N 1 3 300.446 2.469 20 0 DEADHO OCc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903130923 643262557 /nfs/dbraw/zinc/26/25/57/643262557.db2.gz GAUZAKIPFTYIIF-JLYLLQBASA-N 1 3 300.446 2.469 20 0 DEADHO CN1CCN(CC[NH2+][C@H](c2ccccn2)C2CC2)CC1(C)C ZINC000903166977 643279496 /nfs/dbraw/zinc/27/94/96/643279496.db2.gz GMSXBXYOKYYCRZ-KRWDZBQOSA-N 1 3 302.466 2.148 20 0 DEADHO CO[C@H]1CCC[C@@H]1NCc1ccncc1OCCC[NH+](C)C ZINC000903170676 643280869 /nfs/dbraw/zinc/28/08/69/643280869.db2.gz AOFTWOICSGSXFO-HOTGVXAUSA-N 1 3 307.438 2.069 20 0 DEADHO C[NH+](C)CC[C@H](N[C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)c1cccnc1 ZINC000903379237 643335648 /nfs/dbraw/zinc/33/56/48/643335648.db2.gz VVPNIDVJYPCQFC-XREYTECCSA-N 1 3 315.461 2.478 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000903385480 643337137 /nfs/dbraw/zinc/33/71/37/643337137.db2.gz XKKCSSJSUWSROD-ZTFGCOKTSA-N 1 3 302.466 2.147 20 0 DEADHO Fc1cc(F)cc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1 ZINC000903506923 643364862 /nfs/dbraw/zinc/36/48/62/643364862.db2.gz FUADDCUJKNGWGH-HDICACEKSA-N 1 3 321.415 2.365 20 0 DEADHO Fc1cc(F)cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)c1 ZINC000903506923 643364865 /nfs/dbraw/zinc/36/48/65/643364865.db2.gz FUADDCUJKNGWGH-HDICACEKSA-N 1 3 321.415 2.365 20 0 DEADHO Fc1cc(F)cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)c1 ZINC000903506923 643364869 /nfs/dbraw/zinc/36/48/69/643364869.db2.gz FUADDCUJKNGWGH-HDICACEKSA-N 1 3 321.415 2.365 20 0 DEADHO CCc1cccc(C)c1NC(=O)CN1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903495090 643370847 /nfs/dbraw/zinc/37/08/47/643370847.db2.gz ULXJSXKGMNEBND-GDBMZVCRSA-N 1 3 303.450 2.413 20 0 DEADHO COc1cccc(CN(C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903718295 643438374 /nfs/dbraw/zinc/43/83/74/643438374.db2.gz KCKKOKRJRRTQCP-KRWDZBQOSA-N 1 3 304.434 2.286 20 0 DEADHO Cc1cc(C)nc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000903760664 643452364 /nfs/dbraw/zinc/45/23/64/643452364.db2.gz JEIYMHPKIHNLTI-FUHWJXTLSA-N 1 3 303.450 2.417 20 0 DEADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN(C1CC1)C1CCCCC1 ZINC000903884347 643496426 /nfs/dbraw/zinc/49/64/26/643496426.db2.gz XOVLIZAJMFMBMK-MRXNPFEDSA-N 1 3 303.454 2.500 20 0 DEADHO CCS[C@H]1CCCC[N@H+](C[C@@H](CN)Cc2cnn(C)c2C)C1 ZINC000903893195 643499157 /nfs/dbraw/zinc/49/91/57/643499157.db2.gz SCCCBRZGWZWJMP-WBVHZDCISA-N 1 3 324.538 2.454 20 0 DEADHO CCS[C@H]1CCCC[N@@H+](C[C@@H](CN)Cc2cnn(C)c2C)C1 ZINC000903893195 643499159 /nfs/dbraw/zinc/49/91/59/643499159.db2.gz SCCCBRZGWZWJMP-WBVHZDCISA-N 1 3 324.538 2.454 20 0 DEADHO CCS[C@H]1CCCCN(C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903893195 643499162 /nfs/dbraw/zinc/49/91/62/643499162.db2.gz SCCCBRZGWZWJMP-WBVHZDCISA-N 1 3 324.538 2.454 20 0 DEADHO C[C@H](N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1)C(F)(F)F ZINC000903899769 643501818 /nfs/dbraw/zinc/50/18/18/643501818.db2.gz UQTXOTMOQDDRKL-FUDCBSFHSA-N 1 3 305.388 2.085 20 0 DEADHO Cc1c(C[C@@H](C[NH3+])CN(C)C[C@@H](C)c2nccs2)cnn1C ZINC000903902421 643502703 /nfs/dbraw/zinc/50/27/03/643502703.db2.gz GCUQMPYIUWOADO-OCCSQVGLSA-N 1 3 321.494 2.038 20 0 DEADHO C[C@H](c1ccncc1)N1CCC([NH2+]C[C@H](N)CC(F)F)CC1 ZINC000903924265 643510094 /nfs/dbraw/zinc/51/00/94/643510094.db2.gz AUIPAJLRZRCQJS-TZMCWYRMSA-N 1 3 312.408 2.179 20 0 DEADHO Cc1c(C[C@H](CN)C[NH2+]C[C@H](C)Cc2cccs2)cnn1C ZINC000903924273 643510307 /nfs/dbraw/zinc/51/03/07/643510307.db2.gz BAKGWXPBLVZQFT-UKRRQHHQSA-N 1 3 320.506 2.376 20 0 DEADHO CC(C)c1ncc2c(n1)CCN(CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903935456 643514130 /nfs/dbraw/zinc/51/41/30/643514130.db2.gz PXTLWBQXPFIYNR-VHRNVKJDSA-N 1 3 300.450 2.489 20 0 DEADHO CC[C@](CNC[C@]1(C)CCC[NH2+]C1)(C(=O)OC)c1ccccc1 ZINC000904373250 643648579 /nfs/dbraw/zinc/64/85/79/643648579.db2.gz NJZIHQNYZFASRR-RTBURBONSA-N 1 3 318.461 2.487 20 0 DEADHO COC(=O)c1cc(CN2CCC([C@H]3CCC[NH2+]CC3)CC2)c[nH]1 ZINC000904416240 643664008 /nfs/dbraw/zinc/66/40/08/643664008.db2.gz JPQUZWHDYDEBFE-HNNXBMFYSA-N 1 3 319.449 2.403 20 0 DEADHO O[C@@H](CCOCc1ccccc1)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000905052030 643771807 /nfs/dbraw/zinc/77/18/07/643771807.db2.gz ZSWYRCWWAXAAIC-OTWHNJEPSA-N 1 3 318.461 2.171 20 0 DEADHO O[C@@H](CCOCc1ccccc1)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000905052030 643771808 /nfs/dbraw/zinc/77/18/08/643771808.db2.gz ZSWYRCWWAXAAIC-OTWHNJEPSA-N 1 3 318.461 2.171 20 0 DEADHO CC[NH+](CC)Cc1ccccc1CNC[C@@H](O)C1(O)CCCC1 ZINC000905023221 643774651 /nfs/dbraw/zinc/77/46/51/643774651.db2.gz DGNQATNBTXBGJS-GOSISDBHSA-N 1 3 320.477 2.284 20 0 DEADHO C[C@@H](C(=O)Nc1ccc2oc(C[NH+]3CCCC3)nc2c1)N(C)C ZINC000908411482 644851700 /nfs/dbraw/zinc/85/17/00/644851700.db2.gz PNHNADAWSPXWDP-LBPRGKRZSA-N 1 3 316.405 2.312 20 0 DEADHO C[C@H](C(=O)Nc1ccc2oc(C[NH+]3CCCC3)nc2c1)N(C)C ZINC000908415970 644852819 /nfs/dbraw/zinc/85/28/19/644852819.db2.gz PNHNADAWSPXWDP-GFCCVEGCSA-N 1 3 316.405 2.312 20 0 DEADHO C[NH+](C)C1(CNC(=O)c2ccc(NC3=NCCC3)cc2)CC1 ZINC000910930953 645583104 /nfs/dbraw/zinc/58/31/04/645583104.db2.gz MLGULTOZTSIKHI-UHFFFAOYSA-N 1 3 300.406 2.115 20 0 DEADHO CN(C)[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000911666671 645769825 /nfs/dbraw/zinc/76/98/25/645769825.db2.gz JBJPGSXXEIYWON-SJORKVTESA-N 1 3 318.465 2.073 20 0 DEADHO CN(C)[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000911666671 645769836 /nfs/dbraw/zinc/76/98/36/645769836.db2.gz JBJPGSXXEIYWON-SJORKVTESA-N 1 3 318.465 2.073 20 0 DEADHO CC[NH2+]Cc1cccc(NC(=O)c2cc3n(n2)CCC[C@H]3N)c1 ZINC000911683658 645781714 /nfs/dbraw/zinc/78/17/14/645781714.db2.gz ZZMMPYVGAUWUJT-CQSZACIVSA-N 1 3 313.405 2.039 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H]1CCCCN1C ZINC000911999005 645904639 /nfs/dbraw/zinc/90/46/39/645904639.db2.gz WKJKKZXPWOIJAT-IAGOWNOFSA-N 1 3 324.513 2.425 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H]1CCCCN1C ZINC000911999005 645904643 /nfs/dbraw/zinc/90/46/43/645904643.db2.gz WKJKKZXPWOIJAT-IAGOWNOFSA-N 1 3 324.513 2.425 20 0 DEADHO C[C@H]([NH2+]C[C@H]1CCCN(Cc2ccccc2)C1)c1cnnn1C ZINC000924852492 646238993 /nfs/dbraw/zinc/23/89/93/646238993.db2.gz JZEFJANHDRJQPV-DOTOQJQBSA-N 1 3 313.449 2.378 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000810141883 646331375 /nfs/dbraw/zinc/33/13/75/646331375.db2.gz OMOQLYUKPPEJPU-RHSMWYFYSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000810141883 646331381 /nfs/dbraw/zinc/33/13/81/646331381.db2.gz OMOQLYUKPPEJPU-RHSMWYFYSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](C[NH+]1CCCC1)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810413510 646360618 /nfs/dbraw/zinc/36/06/18/646360618.db2.gz UZXYNENUWSFYHM-PBHICJAKSA-N 1 3 313.461 2.190 20 0 DEADHO Fc1ccc(CCNC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(Cl)c1 ZINC000811478374 646535029 /nfs/dbraw/zinc/53/50/29/646535029.db2.gz IMFJAWZGGAQYPP-GJZGRUSLSA-N 1 3 312.816 2.474 20 0 DEADHO Fc1ccc(CCNC[C@H]2C[N@H+]3CCC[C@H]3CO2)c(Cl)c1 ZINC000811478374 646535031 /nfs/dbraw/zinc/53/50/31/646535031.db2.gz IMFJAWZGGAQYPP-GJZGRUSLSA-N 1 3 312.816 2.474 20 0 DEADHO C[C@H]1[C@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)CCN1C ZINC000914077613 647147325 /nfs/dbraw/zinc/14/73/25/647147325.db2.gz SAXCHEMKEZESOP-GOEBONIOSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H]1[C@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)CCN1C ZINC000914077613 647147329 /nfs/dbraw/zinc/14/73/29/647147329.db2.gz SAXCHEMKEZESOP-GOEBONIOSA-N 1 3 310.486 2.033 20 0 DEADHO CC(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]21 ZINC000992715174 647194389 /nfs/dbraw/zinc/19/43/89/647194389.db2.gz RVSVYCXWGUGJKR-RYQLBKOJSA-N 1 3 321.509 2.343 20 0 DEADHO Cc1ccc(N2CCC[C@H](N[C@@H]3CCOC[C@H]3[C@H](C)[NH3+])C2)cc1 ZINC000817897669 647375252 /nfs/dbraw/zinc/37/52/52/647375252.db2.gz VCEUHNBCTSLUNV-PBWTXFEYSA-N 1 3 317.477 2.306 20 0 DEADHO COc1cc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])ccc1OC(C)C ZINC000817900574 647377289 /nfs/dbraw/zinc/37/72/89/647377289.db2.gz NSMHYYVQQXXGJP-CWRNSKLLSA-N 1 3 322.449 2.324 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](O)c1cc(F)cc(Cl)c1 ZINC000817927911 647384203 /nfs/dbraw/zinc/38/42/03/647384203.db2.gz TWRJMSDZDYRLMF-ONERCXAPSA-N 1 3 300.805 2.490 20 0 DEADHO C[C@H](CC(=O)Nc1cccnc1Cl)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000817948096 647391026 /nfs/dbraw/zinc/39/10/26/647391026.db2.gz VDKGRJYUUJMKNO-JHJVBQTASA-N 1 3 324.856 2.430 20 0 DEADHO COc1ccc([C@H](C)NC2C[NH2+]C2)cc1CN1CCCCC1 ZINC000817955921 647392522 /nfs/dbraw/zinc/39/25/22/647392522.db2.gz LJGDTQJLERYUGO-AWEZNQCLSA-N 1 3 303.450 2.304 20 0 DEADHO C[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000817965990 647395808 /nfs/dbraw/zinc/39/58/08/647395808.db2.gz YNWKIEBLUOOIAT-MLGOLLRUSA-N 1 3 303.406 2.421 20 0 DEADHO C[C@@H](CC(=O)Nc1cccnc1Cl)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000817971957 647397818 /nfs/dbraw/zinc/39/78/18/647397818.db2.gz SEEYLYKUOOMJHU-GRYCIOLGSA-N 1 3 310.829 2.182 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H]1C1CCC1 ZINC000820074007 647779309 /nfs/dbraw/zinc/77/93/09/647779309.db2.gz FQLOJWSDZSTACV-DOTOQJQBSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H]1C1CCC1 ZINC000820074007 647779310 /nfs/dbraw/zinc/77/93/10/647779310.db2.gz FQLOJWSDZSTACV-DOTOQJQBSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000820308883 647822194 /nfs/dbraw/zinc/82/21/94/647822194.db2.gz ORPOEHDPHOSBMO-RDJZCZTQSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000820308883 647822196 /nfs/dbraw/zinc/82/21/96/647822196.db2.gz ORPOEHDPHOSBMO-RDJZCZTQSA-N 1 3 307.482 2.192 20 0 DEADHO [NH3+]C1CCC(NC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000237816893 648425380 /nfs/dbraw/zinc/42/53/80/648425380.db2.gz IDSPWOULMMPWLO-UHFFFAOYSA-N 1 3 301.434 2.282 20 0 DEADHO CC(C)(C(=O)N[C@H]1CC[C@@H](C[NH2+]CC2CC2)C1)N1CCCC1 ZINC000995057454 648830575 /nfs/dbraw/zinc/83/05/75/648830575.db2.gz VIHFFAVPHHVTET-CVEARBPZSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C(C)C)CC1(C)C ZINC000940738110 648935440 /nfs/dbraw/zinc/93/54/40/648935440.db2.gz WKKQOZRQXKJBNJ-CVEARBPZSA-N 1 3 309.498 2.484 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](C(C)C)CC1(C)C ZINC000940738110 648935441 /nfs/dbraw/zinc/93/54/41/648935441.db2.gz WKKQOZRQXKJBNJ-CVEARBPZSA-N 1 3 309.498 2.484 20 0 DEADHO CC[N@H+](CCNC(=O)C[C@H](N)c1cc(C)nc(Cl)c1)C1CC1 ZINC000828263171 649157055 /nfs/dbraw/zinc/15/70/55/649157055.db2.gz OHTQFVORSBZAQI-AWEZNQCLSA-N 1 3 324.856 2.034 20 0 DEADHO CC[N@@H+](CCNC(=O)C[C@H](N)c1cc(C)nc(Cl)c1)C1CC1 ZINC000828263171 649157057 /nfs/dbraw/zinc/15/70/57/649157057.db2.gz OHTQFVORSBZAQI-AWEZNQCLSA-N 1 3 324.856 2.034 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000831729084 649634676 /nfs/dbraw/zinc/63/46/76/649634676.db2.gz XVRSQHHUEDONSM-DLBZAZTESA-N 1 3 309.498 2.347 20 0 DEADHO Cc1cc([C@H](N)CC(=O)NCC[N@H+]2CCC[C@@H]2C)cc(Cl)n1 ZINC000831970613 649664861 /nfs/dbraw/zinc/66/48/61/649664861.db2.gz JRDBGAHLUYBCLE-GXTWGEPZSA-N 1 3 324.856 2.034 20 0 DEADHO Cc1cc([C@H](N)CC(=O)NCC[N@@H+]2CCC[C@@H]2C)cc(Cl)n1 ZINC000831970613 649664862 /nfs/dbraw/zinc/66/48/62/649664862.db2.gz JRDBGAHLUYBCLE-GXTWGEPZSA-N 1 3 324.856 2.034 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc(Cl)n1 ZINC000832750531 649741413 /nfs/dbraw/zinc/74/14/13/649741413.db2.gz SMFPNHLLDVMFGZ-MBNYWOFBSA-N 1 3 324.856 2.019 20 0 DEADHO CC[C@H]1CN(C)CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000846987023 651367005 /nfs/dbraw/zinc/36/70/05/651367005.db2.gz DTSRRBSEAYTFHY-SFHVURJKSA-N 1 3 317.477 2.347 20 0 DEADHO Cc1nn(C)c2nc(Cl)c(C[NH2+]CCCN3CCC3)cc12 ZINC000848546372 651469141 /nfs/dbraw/zinc/46/91/41/651469141.db2.gz ZMQJLKBZTZELBQ-UHFFFAOYSA-N 1 3 307.829 2.116 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])NCC(F)(F)c1ccccc1 ZINC000849021571 651585165 /nfs/dbraw/zinc/58/51/65/651585165.db2.gz QYIAXCXPRRKHOT-AWEZNQCLSA-N 1 3 310.392 2.377 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3C=CCC3)CC2)CC1 ZINC000855432678 651697733 /nfs/dbraw/zinc/69/77/33/651697733.db2.gz MSLGZVIQHDQQHH-INIZCTEOSA-N 1 3 305.466 2.018 20 0 DEADHO CCC[N@H+](C)CC(C)(C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000856281753 651888618 /nfs/dbraw/zinc/88/86/18/651888618.db2.gz JRPGAOAKFJTTPN-QGZVFWFLSA-N 1 3 315.477 2.436 20 0 DEADHO CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000856281753 651888620 /nfs/dbraw/zinc/88/86/20/651888620.db2.gz JRPGAOAKFJTTPN-QGZVFWFLSA-N 1 3 315.477 2.436 20 0 DEADHO [NH3+]CCOc1cccc(NC(=O)C[C@H]2NCc3ccccc32)c1 ZINC000851631821 652192693 /nfs/dbraw/zinc/19/26/93/652192693.db2.gz XGZYZZCSSXXTNQ-QGZVFWFLSA-N 1 3 311.385 2.197 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2CCN2C(C)(C)C)C1 ZINC000852223166 652366940 /nfs/dbraw/zinc/36/69/40/652366940.db2.gz IBZFQOMGOCWFAZ-ZNMIVQPWSA-N 1 3 310.486 2.031 20 0 DEADHO CC(C)CCN1CCC([NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000925488114 652653026 /nfs/dbraw/zinc/65/30/26/652653026.db2.gz BMADOBAYNSPZKI-INIZCTEOSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC1(N)CCCC1 ZINC000854223151 652660208 /nfs/dbraw/zinc/66/02/08/652660208.db2.gz OLWSNRALILLKGR-LLVKDONJSA-N 1 3 310.829 2.313 20 0 DEADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@]12OCCC[C@H]1C2(F)F ZINC000854229381 652661824 /nfs/dbraw/zinc/66/18/24/652661824.db2.gz MQXAGQJBNNVDSW-KMUNFCNLSA-N 1 3 311.376 2.314 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(N2CCCNC2=O)cc1 ZINC000854232955 652662578 /nfs/dbraw/zinc/66/25/78/652662578.db2.gz YCNWAKYXDZSXED-RDJZCZTQSA-N 1 3 316.449 2.213 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)NC/C=C\Cl ZINC001371199935 1155779429 /nfs/dbraw/zinc/77/94/29/1155779429.db2.gz JKLRZEQOSYKFGH-JSHITJIMSA-N 1 3 313.873 2.240 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)NC/C=C\Cl ZINC001371199935 1155779441 /nfs/dbraw/zinc/77/94/41/1155779441.db2.gz JKLRZEQOSYKFGH-JSHITJIMSA-N 1 3 313.873 2.240 20 0 DEADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CC1CC(C)(C)C1 ZINC001371771964 1156008860 /nfs/dbraw/zinc/00/88/60/1156008860.db2.gz SGYLDTRMDHJBMS-CQSZACIVSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCN1CCCF)[NH+]1CCCC1 ZINC001372575294 1156558601 /nfs/dbraw/zinc/55/86/01/1156558601.db2.gz LYEVRIOQLSBNBV-JKSUJKDBSA-N 1 3 313.461 2.047 20 0 DEADHO C[N@@H+](CCC(C)(C)C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001373310410 1156963886 /nfs/dbraw/zinc/96/38/86/1156963886.db2.gz HMPYCWFHMLFBHQ-INIZCTEOSA-N 1 3 309.498 2.299 20 0 DEADHO CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001393653995 1157894568 /nfs/dbraw/zinc/89/45/68/1157894568.db2.gz ZATZBXANNXXSKM-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001393653995 1157894569 /nfs/dbraw/zinc/89/45/69/1157894569.db2.gz ZATZBXANNXXSKM-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO COc1ccc(OC)c([C@@H](O)C[NH2+]C2CCN(C(C)C)CC2)c1 ZINC000387450821 685422645 /nfs/dbraw/zinc/42/26/45/685422645.db2.gz UUFRMZVKPUFLSB-KRWDZBQOSA-N 1 3 322.449 2.200 20 0 DEADHO COc1cc(OC)c(CN(C)C2CCC([NH3+])CC2)c(OC)c1 ZINC000387470243 685423152 /nfs/dbraw/zinc/42/31/52/685423152.db2.gz FFUOZUFNVHROOJ-UHFFFAOYSA-N 1 3 308.422 2.414 20 0 DEADHO CC(C)CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H]1C ZINC001394669843 1158663001 /nfs/dbraw/zinc/66/30/01/1158663001.db2.gz KYPVHLJHYWPVSB-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001054150019 693863174 /nfs/dbraw/zinc/86/31/74/693863174.db2.gz SZVVJVSTTFKWGU-FUHWJXTLSA-N 1 3 309.498 2.297 20 0 DEADHO CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001054150019 693863178 /nfs/dbraw/zinc/86/31/78/693863178.db2.gz SZVVJVSTTFKWGU-FUHWJXTLSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001054198259 693878654 /nfs/dbraw/zinc/87/86/54/693878654.db2.gz TZGGGQCPABRGHZ-SJLPKXTDSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001054198259 693878657 /nfs/dbraw/zinc/87/86/57/693878657.db2.gz TZGGGQCPABRGHZ-SJLPKXTDSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001054198502 693879469 /nfs/dbraw/zinc/87/94/69/693879469.db2.gz YMBAUJNOPLFFQW-AEFFLSMTSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001054198502 693879473 /nfs/dbraw/zinc/87/94/73/693879473.db2.gz YMBAUJNOPLFFQW-AEFFLSMTSA-N 1 3 307.482 2.194 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(F)nc2)[C@@H](C)C1 ZINC000249473781 685180638 /nfs/dbraw/zinc/18/06/38/685180638.db2.gz SSHCZWLTGOZKDO-HOCLYGCPSA-N 1 3 309.429 2.447 20 0 DEADHO C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1[NH2+]CC1CC1 ZINC001054650292 694014410 /nfs/dbraw/zinc/01/44/10/694014410.db2.gz PXWUFHRMEKWGJU-HOCLYGCPSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1[NH2+]CCC1CC1 ZINC001054648952 694014576 /nfs/dbraw/zinc/01/45/76/694014576.db2.gz KODPMVYGMWLVFL-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]Cc1ccccc1 ZINC001054740213 694036581 /nfs/dbraw/zinc/03/65/81/694036581.db2.gz VKJMSGWZCGJSNC-CRAIPNDOSA-N 1 3 315.461 2.107 20 0 DEADHO CC(=O)NCCCCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000930059673 694080612 /nfs/dbraw/zinc/08/06/12/694080612.db2.gz BLKBNDWICKHPJK-FUHWJXTLSA-N 1 3 307.482 2.242 20 0 DEADHO CC(=O)NCCCCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000930059673 694080617 /nfs/dbraw/zinc/08/06/17/694080617.db2.gz BLKBNDWICKHPJK-FUHWJXTLSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C)CCC[N@H+](C)CCNc1cccc(Br)n1 ZINC000865939433 687386128 /nfs/dbraw/zinc/38/61/28/687386128.db2.gz UKRCUKNXEMAIIM-UHFFFAOYSA-N 1 3 315.259 2.140 20 0 DEADHO CN(C)CCC[N@@H+](C)CCNc1cccc(Br)n1 ZINC000865939433 687386133 /nfs/dbraw/zinc/38/61/33/687386133.db2.gz UKRCUKNXEMAIIM-UHFFFAOYSA-N 1 3 315.259 2.140 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001016332735 687594325 /nfs/dbraw/zinc/59/43/25/687594325.db2.gz GDJJNYJJHOULQY-MRXNPFEDSA-N 1 3 303.450 2.208 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001016332735 687594327 /nfs/dbraw/zinc/59/43/27/687594327.db2.gz GDJJNYJJHOULQY-MRXNPFEDSA-N 1 3 303.450 2.208 20 0 DEADHO Cc1cccnc1NC(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000866669018 687647821 /nfs/dbraw/zinc/64/78/21/687647821.db2.gz MXATVOXQQWZCRT-UKRRQHHQSA-N 1 3 304.438 2.168 20 0 DEADHO CC(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)CN2CCC[C@H]2C)CC1 ZINC001016828098 687712064 /nfs/dbraw/zinc/71/20/64/687712064.db2.gz CKWZTQGFDBCDGC-SJORKVTESA-N 1 3 321.509 2.488 20 0 DEADHO CCCC[NH+]1CCC2(C[C@H]2NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001016827905 687712267 /nfs/dbraw/zinc/71/22/67/687712267.db2.gz AFKSZQLXEAQEDH-HZPDHXFCSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)[N@H+](C)C[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001017209587 687823806 /nfs/dbraw/zinc/82/38/06/687823806.db2.gz QSNINCIYWGTZDW-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001017209587 687823811 /nfs/dbraw/zinc/82/38/11/687823811.db2.gz QSNINCIYWGTZDW-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001017226489 687833501 /nfs/dbraw/zinc/83/35/01/687833501.db2.gz JZQIBMABNJQPEN-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001017226489 687833506 /nfs/dbraw/zinc/83/35/06/687833506.db2.gz JZQIBMABNJQPEN-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC1(C)[C@@H](N)c2ccccc2N1C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000867988509 687863411 /nfs/dbraw/zinc/86/34/11/687863411.db2.gz NELXHMOAOQUMOC-YPMHNXCESA-N 1 3 309.360 2.056 20 0 DEADHO CC1(C)[C@@H](N)c2ccccc2N1C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000867988506 687863510 /nfs/dbraw/zinc/86/35/10/687863510.db2.gz NELXHMOAOQUMOC-AAEUAGOBSA-N 1 3 309.360 2.056 20 0 DEADHO CC1CC(CN2C[C@H]3CC[C@@H](C2)N3C(=O)C2CC[NH+](C)CC2)C1 ZINC001017882162 687984396 /nfs/dbraw/zinc/98/43/96/687984396.db2.gz ILMDBLTXNXOSLC-SAJCDORXSA-N 1 3 319.493 2.050 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1)C1CC1 ZINC001018966375 688263092 /nfs/dbraw/zinc/26/30/92/688263092.db2.gz GSZVRYDODVTONK-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)C1)N(C)C ZINC001019032088 688273600 /nfs/dbraw/zinc/27/36/00/688273600.db2.gz FCCQDLCKXPYCQM-JKSUJKDBSA-N 1 3 323.868 2.371 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCc2ccccc2)C1)N(C)C ZINC001019339072 688332773 /nfs/dbraw/zinc/33/27/73/688332773.db2.gz MFTJRRNDGKZXTK-ZWKOTPCHSA-N 1 3 317.477 2.006 20 0 DEADHO CC[C@@H](C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1)N(C)C ZINC000870190525 688507497 /nfs/dbraw/zinc/50/74/97/688507497.db2.gz QHVLTMKQISOIRQ-KRWDZBQOSA-N 1 3 317.477 2.106 20 0 DEADHO CCCN(C)CC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000870189524 688507912 /nfs/dbraw/zinc/50/79/12/688507912.db2.gz LCTAXXBLRNNTHE-UHFFFAOYSA-N 1 3 317.477 2.108 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001028845927 688544944 /nfs/dbraw/zinc/54/49/44/688544944.db2.gz UDLUQBIUKFOLLK-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001028845927 688544946 /nfs/dbraw/zinc/54/49/46/688544946.db2.gz UDLUQBIUKFOLLK-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2)C1)N(C)C ZINC001029767558 688574795 /nfs/dbraw/zinc/57/47/95/688574795.db2.gz ULOPJUUQMCYWLG-ZWKOTPCHSA-N 1 3 317.477 2.307 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2)C1)N(C)C ZINC001029767558 688574798 /nfs/dbraw/zinc/57/47/98/688574798.db2.gz ULOPJUUQMCYWLG-ZWKOTPCHSA-N 1 3 317.477 2.307 20 0 DEADHO C[C@@H](CNC(=O)CCC12CC(C1)C[NH2+]2)N(C)Cc1ccccc1 ZINC000870885046 688678270 /nfs/dbraw/zinc/67/82/70/688678270.db2.gz JIIKQLUPKBJPCI-DMKPSLHHSA-N 1 3 315.461 2.155 20 0 DEADHO [NH3+][C@H]1CC[C@@H](C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000870889091 688678966 /nfs/dbraw/zinc/67/89/66/688678966.db2.gz VURQECGXVFLZLZ-FGTMMUONSA-N 1 3 315.461 2.285 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)CN1Cc1ccccc1 ZINC000870906695 688682687 /nfs/dbraw/zinc/68/26/87/688682687.db2.gz PNNWLXKYOXANKM-DZJNRPSUSA-N 1 3 315.461 2.283 20 0 DEADHO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2ccc3c(c2)CNC3)C1 ZINC000870992092 688706053 /nfs/dbraw/zinc/70/60/53/688706053.db2.gz ICPDVKQXCTYMCQ-SFHVURJKSA-N 1 3 301.434 2.127 20 0 DEADHO O=C(NC1C[NH+](CC2CCCCC2)C1)c1ccn2cncc2c1 ZINC001030618641 688726144 /nfs/dbraw/zinc/72/61/44/688726144.db2.gz OURYQTZDHRGYSW-UHFFFAOYSA-N 1 3 312.417 2.329 20 0 DEADHO O=C(NC1CN(CC2CCCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001030618641 688726148 /nfs/dbraw/zinc/72/61/48/688726148.db2.gz OURYQTZDHRGYSW-UHFFFAOYSA-N 1 3 312.417 2.329 20 0 DEADHO CCc1ncc(CN2CCC[N@@H+](C3CCN(CC)CC3)CC2)o1 ZINC000930751503 694232094 /nfs/dbraw/zinc/23/20/94/694232094.db2.gz NFUZOSVOZWMTSE-UHFFFAOYSA-N 1 3 320.481 2.229 20 0 DEADHO CCc1ncc(CN2CCC[N@H+](C3CCN(CC)CC3)CC2)o1 ZINC000930751503 694232096 /nfs/dbraw/zinc/23/20/96/694232096.db2.gz NFUZOSVOZWMTSE-UHFFFAOYSA-N 1 3 320.481 2.229 20 0 DEADHO CC[N@@H+]1CC[C@@H](NCCOC(F)(F)C(F)(F)F)[C@H](C)C1 ZINC000872110798 688931061 /nfs/dbraw/zinc/93/10/61/688931061.db2.gz QMUBHAFEYJCDHM-NXEZZACHSA-N 1 3 304.303 2.478 20 0 DEADHO CC[N@H+]1CC[C@@H](NCCOC(F)(F)C(F)(F)F)[C@H](C)C1 ZINC000872110798 688931064 /nfs/dbraw/zinc/93/10/64/688931064.db2.gz QMUBHAFEYJCDHM-NXEZZACHSA-N 1 3 304.303 2.478 20 0 DEADHO COC(=O)c1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1C ZINC000872142916 688935108 /nfs/dbraw/zinc/93/51/08/688935108.db2.gz FGRHOEWWSQVRKL-USXIJHARSA-N 1 3 302.418 2.341 20 0 DEADHO CN(CC1CC1)C(=O)CN1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158918 688941447 /nfs/dbraw/zinc/94/14/47/688941447.db2.gz ZGUPYPHKGLXWDW-FUHWJXTLSA-N 1 3 321.509 2.474 20 0 DEADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001032445957 689153691 /nfs/dbraw/zinc/15/36/91/689153691.db2.gz SMQNAPAXZXIZMM-OKZBNKHCSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001032445957 689153693 /nfs/dbraw/zinc/15/36/93/689153693.db2.gz SMQNAPAXZXIZMM-OKZBNKHCSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCC1)N(C)C ZINC001032459678 689156148 /nfs/dbraw/zinc/15/61/48/689156148.db2.gz IQIJDMOTNCKOJY-BZSNNMDCSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCC1)N(C)C ZINC001032459678 689156152 /nfs/dbraw/zinc/15/61/52/689156152.db2.gz IQIJDMOTNCKOJY-BZSNNMDCSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1)[NH+](C)C ZINC001032459678 689156154 /nfs/dbraw/zinc/15/61/54/689156154.db2.gz IQIJDMOTNCKOJY-BZSNNMDCSA-N 1 3 321.509 2.438 20 0 DEADHO CCOC(=O)N1CCC([NH2+]Cc2cc3c(s2)CCNC3)CC1 ZINC000873212669 689185308 /nfs/dbraw/zinc/18/53/08/689185308.db2.gz OKHVGGNZYCXODS-UHFFFAOYSA-N 1 3 323.462 2.104 20 0 DEADHO Cc1ccc(C[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)s1 ZINC000873218368 689185986 /nfs/dbraw/zinc/18/59/86/689185986.db2.gz DTRRILUHHBPKAA-UHFFFAOYSA-N 1 3 313.430 2.386 20 0 DEADHO Cc1c([C@@H](C)NC[C@H]2C[C@H]([NH3+])C2)nnn1-c1ccc(F)cc1 ZINC000873258512 689196227 /nfs/dbraw/zinc/19/62/27/689196227.db2.gz QRRFTQRCOVTDIL-MPKXVKKWSA-N 1 3 303.385 2.103 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCCC1)N(C)C ZINC001032609733 689201322 /nfs/dbraw/zinc/20/13/22/689201322.db2.gz HVWNUHNZKDZUIT-OKZBNKHCSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCCC1)N(C)C ZINC001032609733 689201324 /nfs/dbraw/zinc/20/13/24/689201324.db2.gz HVWNUHNZKDZUIT-OKZBNKHCSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)N2CCCCC2)C1 ZINC001033075956 689377514 /nfs/dbraw/zinc/37/75/14/689377514.db2.gz KBNWONMGKKXIJX-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)N2CCCCC2)C1 ZINC001033075956 689377516 /nfs/dbraw/zinc/37/75/16/689377516.db2.gz KBNWONMGKKXIJX-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CN(C(=O)C(C)(C)N1CCCCC1)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001033078931 689378726 /nfs/dbraw/zinc/37/87/26/689378726.db2.gz YNLDVFGEKFQZGR-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C(=O)C(C)(C)N1CCCCC1)[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001033078931 689378730 /nfs/dbraw/zinc/37/87/30/689378730.db2.gz YNLDVFGEKFQZGR-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CN1CCCC1 ZINC000874315897 689387764 /nfs/dbraw/zinc/38/77/64/689387764.db2.gz RVTZBMWYQPNIOY-UHFFFAOYSA-N 1 3 303.450 2.193 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)N2CCCC2)C1 ZINC001033320333 689460348 /nfs/dbraw/zinc/46/03/48/689460348.db2.gz UYJOYTZONSCFBI-CVEARBPZSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C)C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)N2CCCC2)C1 ZINC001033320333 689460352 /nfs/dbraw/zinc/46/03/52/689460352.db2.gz UYJOYTZONSCFBI-CVEARBPZSA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001033415914 689493343 /nfs/dbraw/zinc/49/33/43/689493343.db2.gz MMTMFTNYYNADRM-WMLDXEAASA-N 1 3 313.461 2.142 20 0 DEADHO CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001033415914 689493345 /nfs/dbraw/zinc/49/33/45/689493345.db2.gz MMTMFTNYYNADRM-WMLDXEAASA-N 1 3 313.461 2.142 20 0 DEADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000874828418 689502855 /nfs/dbraw/zinc/50/28/55/689502855.db2.gz HXFKSSGQWYQTFE-QZTJIDSGSA-N 1 3 315.461 2.099 20 0 DEADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000874831549 689506870 /nfs/dbraw/zinc/50/68/70/689506870.db2.gz ZAGALFSGNGWSHZ-KSZLIROESA-N 1 3 319.493 2.479 20 0 DEADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000874831549 689506874 /nfs/dbraw/zinc/50/68/74/689506874.db2.gz ZAGALFSGNGWSHZ-KSZLIROESA-N 1 3 319.493 2.479 20 0 DEADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000874834516 689508790 /nfs/dbraw/zinc/50/87/90/689508790.db2.gz SJCSZJJMDBXVHM-BRWVUGGUSA-N 1 3 305.466 2.089 20 0 DEADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000874834516 689508793 /nfs/dbraw/zinc/50/87/93/689508793.db2.gz SJCSZJJMDBXVHM-BRWVUGGUSA-N 1 3 305.466 2.089 20 0 DEADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000874836132 689509819 /nfs/dbraw/zinc/50/98/19/689509819.db2.gz BQZHTUFTAOPAKI-IRXDYDNUSA-N 1 3 301.434 2.057 20 0 DEADHO C[C@H](CNC(=O)/C=C\[C@H]1CCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000876765642 689930448 /nfs/dbraw/zinc/93/04/48/689930448.db2.gz WBRUVSFBKAWRPN-SCEITDHKSA-N 1 3 315.461 2.179 20 0 DEADHO O=C(/C=C/[C@H]1CCC[NH2+]C1)N1CCN(C2CCCCC2)CC1 ZINC000876874014 689960597 /nfs/dbraw/zinc/96/05/97/689960597.db2.gz YAWGMDJKLAWBJY-ROJDOSBLSA-N 1 3 305.466 2.019 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1)N(C)C ZINC001034964168 689999443 /nfs/dbraw/zinc/99/94/43/689999443.db2.gz AAAUWBQSHBTQMR-MSOLQXFVSA-N 1 3 317.477 2.353 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CCCC[NH3+] ZINC000877031266 690001963 /nfs/dbraw/zinc/00/19/63/690001963.db2.gz UAFJSQPBNXPQNF-NVXWUHKLSA-N 1 3 301.434 2.258 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)cc(Cl)n1 ZINC000877180550 690038971 /nfs/dbraw/zinc/03/89/71/690038971.db2.gz ZFOMIFMNRCWKJA-UBHSHLNASA-N 1 3 324.856 2.067 20 0 DEADHO CC(C)[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)N(C)C)CC2 ZINC001035194055 690056007 /nfs/dbraw/zinc/05/60/07/690056007.db2.gz TZINYBMAPKHQSL-MRXNPFEDSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)N(C)C)CC2 ZINC001035194055 690056010 /nfs/dbraw/zinc/05/60/10/690056010.db2.gz TZINYBMAPKHQSL-MRXNPFEDSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@H](C(=O)N1CCC2(CC[N@H+](CC3CC3)C2)CC1)N(C)C ZINC001035197689 690057639 /nfs/dbraw/zinc/05/76/39/690057639.db2.gz RPJMXGZVZNABDX-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@H](C(=O)N1CCC2(CC[N@@H+](CC3CC3)C2)CC1)N(C)C ZINC001035197689 690057640 /nfs/dbraw/zinc/05/76/40/690057640.db2.gz RPJMXGZVZNABDX-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2 ZINC001035727703 690162401 /nfs/dbraw/zinc/16/24/01/690162401.db2.gz WXIJBJRUUCQEMY-KRWDZBQOSA-N 1 3 321.509 2.463 20 0 DEADHO CC(C)(C)CC[NH+]1CC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001035804229 690180359 /nfs/dbraw/zinc/18/03/59/690180359.db2.gz KWSCSMQTVYAJCM-UHFFFAOYSA-N 1 3 318.465 2.313 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CC1CCC1 ZINC001036069090 690252019 /nfs/dbraw/zinc/25/20/19/690252019.db2.gz YIZHLLVTAKTZPR-WMLDXEAASA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1[NH2+]CC1CCC1 ZINC001036183589 690284491 /nfs/dbraw/zinc/28/44/91/690284491.db2.gz SLBYGVXXAXUTGG-RDJZCZTQSA-N 1 3 321.509 2.345 20 0 DEADHO CC[N@@H+]1CC[C@@H](N(C)CCc2ccc(C(N)=O)cc2)C[C@@H]1C ZINC000878163535 690331349 /nfs/dbraw/zinc/33/13/49/690331349.db2.gz SSMSJDOCWVPGCT-WMLDXEAASA-N 1 3 303.450 2.133 20 0 DEADHO CC[N@H+]1CC[C@@H](N(C)CCc2ccc(C(N)=O)cc2)C[C@@H]1C ZINC000878163535 690331350 /nfs/dbraw/zinc/33/13/50/690331350.db2.gz SSMSJDOCWVPGCT-WMLDXEAASA-N 1 3 303.450 2.133 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@@H]21 ZINC001036735234 690452448 /nfs/dbraw/zinc/45/24/48/690452448.db2.gz GNCSRSQGOFJREF-SJORKVTESA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@@H]21 ZINC001036735234 690452451 /nfs/dbraw/zinc/45/24/51/690452451.db2.gz GNCSRSQGOFJREF-SJORKVTESA-N 1 3 321.509 2.440 20 0 DEADHO CN(CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCC2CC2)C1)C1CCC1 ZINC001036737225 690453506 /nfs/dbraw/zinc/45/35/06/690453506.db2.gz NFZCROBCGJKPTO-SJLPKXTDSA-N 1 3 319.493 2.194 20 0 DEADHO CN(CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCC2CC2)C1)C1CCC1 ZINC001036737225 690453509 /nfs/dbraw/zinc/45/35/09/690453509.db2.gz NFZCROBCGJKPTO-SJLPKXTDSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@@H]1C[C@H](c2ccccc2)N(CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878611958 690455250 /nfs/dbraw/zinc/45/52/50/690455250.db2.gz DVLQBOAKAKRHCZ-CRAIPNDOSA-N 1 3 315.461 2.280 20 0 DEADHO O[C@H](CN1CCCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000878743213 690490042 /nfs/dbraw/zinc/49/00/42/690490042.db2.gz BKGFKGZHBZDYNZ-GOSISDBHSA-N 1 3 315.392 2.466 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2[C@@H](CC[N@@H+]2CC2CCCC2)C1 ZINC001036830313 690490557 /nfs/dbraw/zinc/49/05/57/690490557.db2.gz SNSOUSMLTCQXMK-RDJZCZTQSA-N 1 3 316.449 2.065 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2[C@@H](CC[N@H+]2CC2CCCC2)C1 ZINC001036830313 690490559 /nfs/dbraw/zinc/49/05/59/690490559.db2.gz SNSOUSMLTCQXMK-RDJZCZTQSA-N 1 3 316.449 2.065 20 0 DEADHO CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1[NH2+]CC1CC1 ZINC001037928430 690642652 /nfs/dbraw/zinc/64/26/52/690642652.db2.gz UIOVEXKCTQEIGK-IAGOWNOFSA-N 1 3 321.509 2.345 20 0 DEADHO CCC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@@H]1CC ZINC001037949517 690647206 /nfs/dbraw/zinc/64/72/06/690647206.db2.gz MPBPKGBFBSWDIC-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO COc1ccc([C@@H]2CN(CCCc3cncn3C)CC[NH2+]2)cc1 ZINC000879523778 690661732 /nfs/dbraw/zinc/66/17/32/690661732.db2.gz OKDAWIJZUZPKKW-SFHVURJKSA-N 1 3 314.433 2.008 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H]3CSC[C@H]3C2)CC1 ZINC000879563524 690671632 /nfs/dbraw/zinc/67/16/32/690671632.db2.gz CZORXVZDLHJJCR-IAGOWNOFSA-N 1 3 311.539 2.087 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H]3CSC[C@H]3C2)CC1 ZINC000879563524 690671635 /nfs/dbraw/zinc/67/16/35/690671635.db2.gz CZORXVZDLHJJCR-IAGOWNOFSA-N 1 3 311.539 2.087 20 0 DEADHO CO[C@H](CN1CCC([NH+]2CCN(C)CC2)CC1)c1ccccc1 ZINC000879596512 690683917 /nfs/dbraw/zinc/68/39/17/690683917.db2.gz NJXUWRNZHZRNNU-LJQANCHMSA-N 1 3 317.477 2.086 20 0 DEADHO C[N@@H+]1CC[C@@H]2CN(CCC(=O)OCc3ccccc3)C[C@@H]2C1 ZINC000931438758 694396704 /nfs/dbraw/zinc/39/67/04/694396704.db2.gz ZONWFJJPMUCUNB-SJORKVTESA-N 1 3 302.418 2.003 20 0 DEADHO C[N@H+]1CC[C@@H]2CN(CCC(=O)OCc3ccccc3)C[C@@H]2C1 ZINC000931438758 694396706 /nfs/dbraw/zinc/39/67/06/694396706.db2.gz ZONWFJJPMUCUNB-SJORKVTESA-N 1 3 302.418 2.003 20 0 DEADHO CC[C@@H](C)CN1CC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001038393666 690804143 /nfs/dbraw/zinc/80/41/43/690804143.db2.gz JAPYFFJFLPVCFS-HZPDHXFCSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC1CC1 ZINC001038783475 690924908 /nfs/dbraw/zinc/92/49/08/690924908.db2.gz XUFNKCVMVOZBIW-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC1CC1 ZINC001038783475 690924910 /nfs/dbraw/zinc/92/49/10/690924910.db2.gz XUFNKCVMVOZBIW-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCN2CCC2CC2)CC1 ZINC001038863936 690948710 /nfs/dbraw/zinc/94/87/10/690948710.db2.gz OMLLICGIUIDBPO-QGZVFWFLSA-N 1 3 307.482 2.097 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1[C@H]1CC[N@@H+](CCCF)C1 ZINC001039236481 691064170 /nfs/dbraw/zinc/06/41/70/691064170.db2.gz CQYBWWVWWYFNIN-GOEBONIOSA-N 1 3 322.428 2.015 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1[C@H]1CC[N@H+](CCCF)C1 ZINC001039236481 691064172 /nfs/dbraw/zinc/06/41/72/691064172.db2.gz CQYBWWVWWYFNIN-GOEBONIOSA-N 1 3 322.428 2.015 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001039240424 691065729 /nfs/dbraw/zinc/06/57/29/691065729.db2.gz WXWXPYROYQZSSM-WBVHZDCISA-N 1 3 316.449 2.065 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001039240424 691065731 /nfs/dbraw/zinc/06/57/31/691065731.db2.gz WXWXPYROYQZSSM-WBVHZDCISA-N 1 3 316.449 2.065 20 0 DEADHO CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCN1C ZINC001039268960 691072772 /nfs/dbraw/zinc/07/27/72/691072772.db2.gz HMQALSOHFJRUKZ-NPYXIHBLSA-N 1 3 307.482 2.238 20 0 DEADHO CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C(C)C)N(C)C ZINC001039281672 691074499 /nfs/dbraw/zinc/07/44/99/691074499.db2.gz VWYCSEZIYGXGOJ-HMQMGEFJSA-N 1 3 309.498 2.483 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001041674053 691408792 /nfs/dbraw/zinc/40/87/92/691408792.db2.gz HOAJHNAEYOXOEM-VQIMIIECSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001041674053 691408795 /nfs/dbraw/zinc/40/87/95/691408795.db2.gz HOAJHNAEYOXOEM-VQIMIIECSA-N 1 3 319.493 2.195 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@]2(CC[N@H+](CC3CCCC3)C2)C1 ZINC001041712537 691414289 /nfs/dbraw/zinc/41/42/89/691414289.db2.gz PTHUDGBDXHYXFY-SFHVURJKSA-N 1 3 316.449 2.067 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@]2(CC[N@@H+](CC3CCCC3)C2)C1 ZINC001041712537 691414291 /nfs/dbraw/zinc/41/42/91/691414291.db2.gz PTHUDGBDXHYXFY-SFHVURJKSA-N 1 3 316.449 2.067 20 0 DEADHO CC(C)(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041714327 691414332 /nfs/dbraw/zinc/41/43/32/691414332.db2.gz PSGQUZYTKVGLTN-GOSISDBHSA-N 1 3 318.465 2.313 20 0 DEADHO CC(C)(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041714327 691414334 /nfs/dbraw/zinc/41/43/34/691414334.db2.gz PSGQUZYTKVGLTN-GOSISDBHSA-N 1 3 318.465 2.313 20 0 DEADHO CC(C)[NH+]1CCC(NC[C@@H]2CCC3(CCOCC3)CO2)CC1 ZINC000883261513 691467170 /nfs/dbraw/zinc/46/71/70/691467170.db2.gz DYCBDPXKIYMMIE-KRWDZBQOSA-N 1 3 310.482 2.425 20 0 DEADHO CN1CC[C@H]([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000883361499 691489748 /nfs/dbraw/zinc/48/97/48/691489748.db2.gz FIWDWSSSPWTRQE-MMWGEVLESA-N 1 3 316.314 2.007 20 0 DEADHO C[N@@H+]1CC[C@H](NC[C@H](O)C(F)(F)C(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000883361499 691489750 /nfs/dbraw/zinc/48/97/50/691489750.db2.gz FIWDWSSSPWTRQE-MMWGEVLESA-N 1 3 316.314 2.007 20 0 DEADHO C[N@H+]1CC[C@H](NC[C@H](O)C(F)(F)C(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000883361499 691489752 /nfs/dbraw/zinc/48/97/52/691489752.db2.gz FIWDWSSSPWTRQE-MMWGEVLESA-N 1 3 316.314 2.007 20 0 DEADHO COc1ccc(NC(=O)CC[N@@H+]2CCNCCC23CCC3)cc1 ZINC000883458514 691516999 /nfs/dbraw/zinc/51/69/99/691516999.db2.gz MMYGRFZDFNZVLB-UHFFFAOYSA-N 1 3 317.433 2.242 20 0 DEADHO COc1ccc(NC(=O)CC[N@H+]2CCNCCC23CCC3)cc1 ZINC000883458514 691517002 /nfs/dbraw/zinc/51/70/02/691517002.db2.gz MMYGRFZDFNZVLB-UHFFFAOYSA-N 1 3 317.433 2.242 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@@H]([NH3+])CC1CC1)c1ccsc1 ZINC000884188776 691677380 /nfs/dbraw/zinc/67/73/80/691677380.db2.gz OWFCZRUBCIUIMU-GJZGRUSLSA-N 1 3 309.479 2.375 20 0 DEADHO N[C@H](CC1CC1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000884186949 691677628 /nfs/dbraw/zinc/67/76/28/691677628.db2.gz PFEDWZYHPGTJSK-QGZVFWFLSA-N 1 3 301.434 2.026 20 0 DEADHO CCC(CC)CN1CC(N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001044005545 691758530 /nfs/dbraw/zinc/75/85/30/691758530.db2.gz VEGQKYPUKGRJTL-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1)C1CC1 ZINC001045068788 691935403 /nfs/dbraw/zinc/93/54/03/691935403.db2.gz QZWGIESAUNDZGR-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CN1CC[NH+](C2CCN(C[C@@H]3CCC4(CCC4)CO3)CC2)CC1 ZINC000886310400 692052035 /nfs/dbraw/zinc/05/20/35/692052035.db2.gz KVDAAGZCBYMPJI-SFHVURJKSA-N 1 3 321.509 2.048 20 0 DEADHO CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045942879 692059032 /nfs/dbraw/zinc/05/90/32/692059032.db2.gz BXHZRKLQQWCTOD-HKUYNNGSSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045942879 692059036 /nfs/dbraw/zinc/05/90/36/692059036.db2.gz BXHZRKLQQWCTOD-HKUYNNGSSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001045966991 692064479 /nfs/dbraw/zinc/06/44/79/692064479.db2.gz KULRBSQAVHUUQG-FUHWJXTLSA-N 1 3 307.482 2.053 20 0 DEADHO CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001045966991 692064480 /nfs/dbraw/zinc/06/44/80/692064480.db2.gz KULRBSQAVHUUQG-FUHWJXTLSA-N 1 3 307.482 2.053 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001046316046 692150222 /nfs/dbraw/zinc/15/02/22/692150222.db2.gz MZEBPIJCLSTZIV-AEFFLSMTSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001046316046 692150224 /nfs/dbraw/zinc/15/02/24/692150224.db2.gz MZEBPIJCLSTZIV-AEFFLSMTSA-N 1 3 309.498 2.486 20 0 DEADHO CC[NH+]1CCC([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001047241432 692400768 /nfs/dbraw/zinc/40/07/68/692400768.db2.gz CIGOAZSUGSASLF-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]([NH2+]CC1CCCC1)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047866200 692503538 /nfs/dbraw/zinc/50/35/38/692503538.db2.gz ALVAYTOHCGGHNW-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]([NH2+]CC1=CCCCC1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048059524 692540465 /nfs/dbraw/zinc/54/04/65/692540465.db2.gz SRWLDCNQFLQCKQ-SJLPKXTDSA-N 1 3 319.493 2.409 20 0 DEADHO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(CN3CCCCC3)o2)C1 ZINC000932072743 694543022 /nfs/dbraw/zinc/54/30/22/694543022.db2.gz ZDMFJEWEZVINKD-AWEZNQCLSA-N 1 3 305.422 2.090 20 0 DEADHO C[N@H+]1CCC[C@H](NC(=O)c2ccc(CN3CCCCC3)o2)C1 ZINC000932072743 694543027 /nfs/dbraw/zinc/54/30/27/694543027.db2.gz ZDMFJEWEZVINKD-AWEZNQCLSA-N 1 3 305.422 2.090 20 0 DEADHO CC(C)[N@H+]1C[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC001049231889 692795317 /nfs/dbraw/zinc/79/53/17/692795317.db2.gz NRJWVYCFKWXKQA-HDICACEKSA-N 1 3 315.461 2.160 20 0 DEADHO CC(C)[N@@H+]1C[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC001049231889 692795319 /nfs/dbraw/zinc/79/53/19/692795319.db2.gz NRJWVYCFKWXKQA-HDICACEKSA-N 1 3 315.461 2.160 20 0 DEADHO CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1CN(C)C ZINC001049916817 693047157 /nfs/dbraw/zinc/04/71/57/693047157.db2.gz FUADSKAZFLOLAL-ZWKOTPCHSA-N 1 3 315.461 2.447 20 0 DEADHO CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1CN(C)C ZINC001049916817 693047159 /nfs/dbraw/zinc/04/71/59/693047159.db2.gz FUADSKAZFLOLAL-ZWKOTPCHSA-N 1 3 315.461 2.447 20 0 DEADHO CCN(C)C[C@H](O)C[N@@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932190597 694570960 /nfs/dbraw/zinc/57/09/60/694570960.db2.gz OOBAUGYUSUMWGO-KBPBESRZSA-N 1 3 323.506 2.124 20 0 DEADHO CCN(C)C[C@H](O)C[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932190597 694570962 /nfs/dbraw/zinc/57/09/62/694570962.db2.gz OOBAUGYUSUMWGO-KBPBESRZSA-N 1 3 323.506 2.124 20 0 DEADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1)CN1CCCC1 ZINC000924714095 693175717 /nfs/dbraw/zinc/17/57/17/693175717.db2.gz HVYFAKQDAFARLU-KBAYOESNSA-N 1 3 304.482 2.453 20 0 DEADHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(C(C)(C)O)cc1 ZINC000924756839 693181537 /nfs/dbraw/zinc/18/15/37/693181537.db2.gz MYVWENJOJAVUQG-WMLDXEAASA-N 1 3 306.450 2.021 20 0 DEADHO CC[C@H](C)C[NH+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001050542609 693203922 /nfs/dbraw/zinc/20/39/22/693203922.db2.gz IDOZOCZLWUCYCT-INIZCTEOSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[NH+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001050662447 693226604 /nfs/dbraw/zinc/22/66/04/693226604.db2.gz HRZOISLCZCDPDO-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)C[NH+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001050663380 693227577 /nfs/dbraw/zinc/22/75/77/693227577.db2.gz SHTSQIKUDZHJRU-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H](NCC1([NH+]2CCCCC2)CCN(C)CC1)c1ncco1 ZINC000925154066 693233702 /nfs/dbraw/zinc/23/37/02/693233702.db2.gz HECLUPHXUTVNTE-HNNXBMFYSA-N 1 3 306.454 2.276 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000932276367 694586344 /nfs/dbraw/zinc/58/63/44/694586344.db2.gz UDJLBWHNVQHWBK-IRXDYDNUSA-N 1 3 307.482 2.336 20 0 DEADHO C[C@@H](Cc1ccccn1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000925438674 693272866 /nfs/dbraw/zinc/27/28/66/693272866.db2.gz ZWKKQJYDOKSHBB-YESZJQIVSA-N 1 3 305.466 2.492 20 0 DEADHO c1ccc([C@H](CN2CCCC2)N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC000925518306 693287608 /nfs/dbraw/zinc/28/76/08/693287608.db2.gz OQHMSWMRRKQOMM-GFLQDLJJSA-N 1 3 311.473 2.410 20 0 DEADHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCc2ccccc2Cn2cncn2)C1 ZINC000925533210 693290758 /nfs/dbraw/zinc/29/07/58/693290758.db2.gz YWMLJYUDJUQHLA-DLBZAZTESA-N 1 3 313.449 2.322 20 0 DEADHO COc1ccc(C2(CN[C@@H]3CCC[NH2+][C@H]3C)CCOCC2)cc1 ZINC000925564538 693298684 /nfs/dbraw/zinc/29/86/84/693298684.db2.gz SENLCZKFLBBIAI-MAUKXSAKSA-N 1 3 318.461 2.474 20 0 DEADHO c1ccc(N2CC[C@H](N[C@H]3CC[NH2+]C[C@@H]3C3CCCC3)C2)nc1 ZINC000925607136 693307817 /nfs/dbraw/zinc/30/78/17/693307817.db2.gz ODFYMMZHRGMYJQ-KSZLIROESA-N 1 3 314.477 2.418 20 0 DEADHO OCc1ccc(CC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)cc1 ZINC000925632530 693312920 /nfs/dbraw/zinc/31/29/20/693312920.db2.gz AGNPEZQGEXRRMB-RBUKOAKNSA-N 1 3 302.462 2.479 20 0 DEADHO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925663761 693320851 /nfs/dbraw/zinc/32/08/51/693320851.db2.gz VVHZOEXDURADFA-BPQIPLTHSA-N 1 3 307.482 2.003 20 0 DEADHO CCC[C@H](C)C(=O)NCCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925678724 693323407 /nfs/dbraw/zinc/32/34/07/693323407.db2.gz WYOFKZSFYSHMTB-BHYGNILZSA-N 1 3 309.498 2.297 20 0 DEADHO O[C@H](CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)Cc1cccc(F)c1 ZINC000925681147 693323782 /nfs/dbraw/zinc/32/37/82/693323782.db2.gz STAPQZHUUIQVJW-IPMKNSEASA-N 1 3 320.452 2.487 20 0 DEADHO c1ccc([C@H]2C[C@@H](NCCOC3CCOCC3)CC[NH2+]2)cc1 ZINC000925878074 693359117 /nfs/dbraw/zinc/35/91/17/693359117.db2.gz QOZDHJZPYPHVHO-FUHWJXTLSA-N 1 3 304.434 2.265 20 0 DEADHO CC(C)(C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1)C(=O)N1CCCC1 ZINC000925720175 693329278 /nfs/dbraw/zinc/32/92/78/693329278.db2.gz XLERERHUQMZLSA-SJORKVTESA-N 1 3 321.509 2.393 20 0 DEADHO CCOC(=O)C1=CC[C@H](N[C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925717186 693329351 /nfs/dbraw/zinc/32/93/51/693329351.db2.gz AJCVZZJUSGPCFB-ULQDDVLXSA-N 1 3 306.450 2.396 20 0 DEADHO COC[C@@H](NCCN1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000925812279 693345703 /nfs/dbraw/zinc/34/57/03/693345703.db2.gz NQDJOMSDODGVLY-MRXNPFEDSA-N 1 3 311.857 2.040 20 0 DEADHO CCS(=O)(=O)c1ccccc1CCN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000925833855 693349479 /nfs/dbraw/zinc/34/94/79/693349479.db2.gz KWOAOVFCOODHDZ-GOEBONIOSA-N 1 3 324.490 2.000 20 0 DEADHO COc1ccccc1[C@H](C)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925854042 693353925 /nfs/dbraw/zinc/35/39/25/693353925.db2.gz JXJLYVSPLNYJAH-UONOGXRCSA-N 1 3 318.417 2.031 20 0 DEADHO C[C@@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc(F)c1 ZINC000925854061 693353991 /nfs/dbraw/zinc/35/39/91/693353991.db2.gz KBUSZGQYYGEQBM-DOMZBBRYSA-N 1 3 306.381 2.162 20 0 DEADHO CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)CC1 ZINC001052958409 693656703 /nfs/dbraw/zinc/65/67/03/693656703.db2.gz NRDGGVNBYXYDHO-INIZCTEOSA-N 1 3 303.450 2.352 20 0 DEADHO CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)CC1 ZINC001052958409 693656705 /nfs/dbraw/zinc/65/67/05/693656705.db2.gz NRDGGVNBYXYDHO-INIZCTEOSA-N 1 3 303.450 2.352 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053038296 693675254 /nfs/dbraw/zinc/67/52/54/693675254.db2.gz GSQZEJVHNVBVIZ-CVEARBPZSA-N 1 3 318.465 2.313 20 0 DEADHO CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053038296 693675256 /nfs/dbraw/zinc/67/52/56/693675256.db2.gz GSQZEJVHNVBVIZ-CVEARBPZSA-N 1 3 318.465 2.313 20 0 DEADHO Cc1ccc(F)c(CN[C@@H](CNC(=O)CC[NH+](C)C)C2CC2)c1 ZINC001402335068 1162327154 /nfs/dbraw/zinc/32/71/54/1162327154.db2.gz FOZYQLQQHQMOTK-KRWDZBQOSA-N 1 3 321.440 2.070 20 0 DEADHO CC[C@]1(C)CC(=O)N(CN2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)C1 ZINC001335253190 1150390681 /nfs/dbraw/zinc/39/06/81/1150390681.db2.gz LNYZYQKZSJPXRW-NBOOPKSLSA-N 1 3 307.482 2.255 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]C[C@@H](O)c2cccc(F)c2)C[C@@H](C)O1 ZINC001335349931 1150398673 /nfs/dbraw/zinc/39/86/73/1150398673.db2.gz AILHVXDYYXLJCI-IIDMSEBBSA-N 1 3 324.440 2.338 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)CN(C)C3CCC3)C2)c1 ZINC001402487867 1162367726 /nfs/dbraw/zinc/36/77/26/1162367726.db2.gz BEHDXUAFKQSJSX-QAQDUYKDSA-N 1 3 315.461 2.216 20 0 DEADHO CCC[N@@H+]1CCc2c(CNC(=O)CN(C)C(C)C)cccc2C1 ZINC001402521432 1162378180 /nfs/dbraw/zinc/37/81/80/1162378180.db2.gz QDNBCKANPITCIM-UHFFFAOYSA-N 1 3 317.477 2.411 20 0 DEADHO CCC[N@H+]1CCc2c(CNC(=O)CN(C)C(C)C)cccc2C1 ZINC001402521432 1162378183 /nfs/dbraw/zinc/37/81/83/1162378183.db2.gz QDNBCKANPITCIM-UHFFFAOYSA-N 1 3 317.477 2.411 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1([NH2+]CCC(F)(F)F)CCC1)N(C)C ZINC001402544578 1162386730 /nfs/dbraw/zinc/38/67/30/1162386730.db2.gz GZLDKLMEHQVPAB-LBPRGKRZSA-N 1 3 323.403 2.154 20 0 DEADHO CC(C)[C@H](C(=O)NCC1([NH2+]CCC(F)(F)F)CCC1)N(C)C ZINC001402583607 1162401227 /nfs/dbraw/zinc/40/12/27/1162401227.db2.gz GZLDKLMEHQVPAB-GFCCVEGCSA-N 1 3 323.403 2.154 20 0 DEADHO C[C@H](F)CC[N@@H+]1CCC[C@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001402600714 1162406807 /nfs/dbraw/zinc/40/68/07/1162406807.db2.gz BPRHUBLWDYDNNA-GJZGRUSLSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H](F)CC[N@H+]1CCC[C@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001402600714 1162406808 /nfs/dbraw/zinc/40/68/08/1162406808.db2.gz BPRHUBLWDYDNNA-GJZGRUSLSA-N 1 3 313.461 2.190 20 0 DEADHO CCC1([NH3+])CCN(C(=O)C[C@H](N)c2cc(C)nc(Cl)c2)CC1 ZINC001349883146 1151302869 /nfs/dbraw/zinc/30/28/69/1151302869.db2.gz ABRBIZWEVACPSO-ZDUSSCGKSA-N 1 3 324.856 2.163 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC001402637928 1162422113 /nfs/dbraw/zinc/42/21/13/1162422113.db2.gz UKXDBXPWYHNPKI-YUELXQCFSA-N 1 3 306.454 2.180 20 0 DEADHO CCC[N@H+](C)CCCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001402652515 1162428968 /nfs/dbraw/zinc/42/89/68/1162428968.db2.gz GKEREUPFKOVCPA-KRWDZBQOSA-N 1 3 315.477 2.389 20 0 DEADHO CCC[N@@H+](C)CCCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001402652515 1162428970 /nfs/dbraw/zinc/42/89/70/1162428970.db2.gz GKEREUPFKOVCPA-KRWDZBQOSA-N 1 3 315.477 2.389 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(C)[C@@H]2CCCN(C)C2)C1 ZINC001351951133 1151636318 /nfs/dbraw/zinc/63/63/18/1151636318.db2.gz VRQCEQQKDRSYNG-BRWVUGGUSA-N 1 3 324.513 2.090 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]C/C=C/c1ccccc1)N(C)C ZINC001480538899 1151845678 /nfs/dbraw/zinc/84/56/78/1151845678.db2.gz SYFWBLUPYNLLFD-BSBMYWPDSA-N 1 3 303.450 2.134 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001378604647 1152391590 /nfs/dbraw/zinc/39/15/90/1152391590.db2.gz LFTXEIHYAMEXHM-RDJZCZTQSA-N 1 3 305.466 2.177 20 0 DEADHO CC(C)N(C)CC(=O)NC1CCC([NH2+]CCC(F)(F)F)CC1 ZINC001402829580 1162487325 /nfs/dbraw/zinc/48/73/25/1162487325.db2.gz NTCZKLPALMGZJT-UHFFFAOYSA-N 1 3 323.403 2.296 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCC1)N(C)C ZINC001380021388 1152732900 /nfs/dbraw/zinc/73/29/00/1152732900.db2.gz PHONJPGLQXDRCT-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+]1CCC1CCCC1)N(C)C ZINC001380021388 1152732903 /nfs/dbraw/zinc/73/29/03/1152732903.db2.gz PHONJPGLQXDRCT-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC001361775021 1152738017 /nfs/dbraw/zinc/73/80/17/1152738017.db2.gz MNLSUPJKBGRZOR-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1cccnc1)C(C)(C)C)N(C)C ZINC001380086477 1152748499 /nfs/dbraw/zinc/74/84/99/1152748499.db2.gz XWEOQATUZAIZFO-HOTGVXAUSA-N 1 3 320.481 2.042 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CCC(C)(C)C)CCN1C(=O)Cc1c[nH]cn1 ZINC001380265486 1152778337 /nfs/dbraw/zinc/77/83/37/1152778337.db2.gz IYFMJYJIJRUSPX-UONOGXRCSA-N 1 3 306.454 2.358 20 0 DEADHO CC[C@H](C(=O)NC1(C)CC[NH+](CC[C@H](C)F)CC1)N(C)C ZINC001380295981 1152783254 /nfs/dbraw/zinc/78/32/54/1152783254.db2.gz XIUAZGVHIWHEAA-UONOGXRCSA-N 1 3 301.450 2.045 20 0 DEADHO C[C@H](NCCF)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001380779773 1152856359 /nfs/dbraw/zinc/85/63/59/1152856359.db2.gz HSZGYEFPAGRICK-GJZGRUSLSA-N 1 3 321.440 2.265 20 0 DEADHO C[C@H](NCCF)c1ccc(CNC(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC001380779773 1152856360 /nfs/dbraw/zinc/85/63/60/1152856360.db2.gz HSZGYEFPAGRICK-GJZGRUSLSA-N 1 3 321.440 2.265 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)N(CCN(C)C)C2CCCC2)C1 ZINC001362245586 1152859823 /nfs/dbraw/zinc/85/98/23/1152859823.db2.gz BJQKLLLDQABFAP-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](C(=O)N(CCN(C)C)C2CCCC2)C1 ZINC001362245586 1152859826 /nfs/dbraw/zinc/85/98/26/1152859826.db2.gz BJQKLLLDQABFAP-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CN(CC(=O)NCC1([NH2+]CCC2CC2)CCC1)CC(C)(C)C ZINC001380878587 1152871960 /nfs/dbraw/zinc/87/19/60/1152871960.db2.gz GADMWJDUKYECPB-UHFFFAOYSA-N 1 3 309.498 2.393 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001362840302 1153111042 /nfs/dbraw/zinc/11/10/42/1153111042.db2.gz BTIFLXZWNDXOSX-PMPSAXMXSA-N 1 3 307.482 2.240 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001362840302 1153111048 /nfs/dbraw/zinc/11/10/48/1153111048.db2.gz BTIFLXZWNDXOSX-PMPSAXMXSA-N 1 3 307.482 2.240 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(C)cc1)N(C)C ZINC001381590315 1153143028 /nfs/dbraw/zinc/14/30/28/1153143028.db2.gz RCULZQLJZNQPOS-WBVHZDCISA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(C)cc1)N(C)C ZINC001381590315 1153143032 /nfs/dbraw/zinc/14/30/32/1153143032.db2.gz RCULZQLJZNQPOS-WBVHZDCISA-N 1 3 305.466 2.272 20 0 DEADHO CCN1CCCN(C(=O)c2cccc(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001362976962 1153168764 /nfs/dbraw/zinc/16/87/64/1153168764.db2.gz KMBOWQGOJVUEHO-MRXNPFEDSA-N 1 3 317.477 2.347 20 0 DEADHO Cc1ccc(F)cc1C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001402914552 1162535172 /nfs/dbraw/zinc/53/51/72/1162535172.db2.gz QKGGDXZGIDDLMT-YOEHRIQHSA-N 1 3 323.456 2.315 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC001363162373 1153248258 /nfs/dbraw/zinc/24/82/58/1153248258.db2.gz UMTWUTZNBIJJJE-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC001363162373 1153248262 /nfs/dbraw/zinc/24/82/62/1153248262.db2.gz UMTWUTZNBIJJJE-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(NC4=NCCC4)cc3)C[C@@H]21 ZINC001363299598 1153320759 /nfs/dbraw/zinc/32/07/59/1153320759.db2.gz PNHIJBGPCAUZFO-ZBFHGGJFSA-N 1 3 312.417 2.067 20 0 DEADHO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(NC4=NCCC4)cc3)C[C@@H]21 ZINC001363299598 1153320766 /nfs/dbraw/zinc/32/07/66/1153320766.db2.gz PNHIJBGPCAUZFO-ZBFHGGJFSA-N 1 3 312.417 2.067 20 0 DEADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001382159152 1153381965 /nfs/dbraw/zinc/38/19/65/1153381965.db2.gz LIWFGZWBYZRJDH-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)CN(C)C(C)C)cs1 ZINC001382169835 1153387691 /nfs/dbraw/zinc/38/76/91/1153387691.db2.gz XDFZFZHNXUCADO-ZDUSSCGKSA-N 1 3 311.495 2.333 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCC2CCCC2)[C@H]1C ZINC001382299373 1153415795 /nfs/dbraw/zinc/41/57/95/1153415795.db2.gz AQUIANFKIGMMGY-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO CN(C(=O)[C@H]1CCCN1C)C1CCC([NH2+]C/C=C/Cl)CC1 ZINC001403055852 1162673343 /nfs/dbraw/zinc/67/33/43/1162673343.db2.gz JOFYRQKOWNLPCE-IPBNSSBNSA-N 1 3 313.873 2.192 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001403074683 1162690888 /nfs/dbraw/zinc/69/08/88/1162690888.db2.gz AQTKTSQWZOPLRJ-OCCSQVGLSA-N 1 3 319.440 2.246 20 0 DEADHO CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCC1 ZINC001389762527 1155420135 /nfs/dbraw/zinc/42/01/35/1155420135.db2.gz SPSJKOYKBRNZAD-CALCHBBNSA-N 1 3 307.482 2.338 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]2C[N@H+](CC3CCC3)CC[C@@H]21 ZINC001389961590 1155483703 /nfs/dbraw/zinc/48/37/03/1155483703.db2.gz TYRNXORLFMEVRJ-MSOLQXFVSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]2C[N@@H+](CC3CCC3)CC[C@@H]21 ZINC001389961590 1155483705 /nfs/dbraw/zinc/48/37/05/1155483705.db2.gz TYRNXORLFMEVRJ-MSOLQXFVSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@H](F)CC[N@@H+]1CCC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001390034736 1155504854 /nfs/dbraw/zinc/50/48/54/1155504854.db2.gz HUPUKQYHUTUYNU-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H](F)CC[N@H+]1CCC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001390034736 1155504856 /nfs/dbraw/zinc/50/48/56/1155504856.db2.gz HUPUKQYHUTUYNU-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](C)CC(C)C)C[C@H]21)N(C)C ZINC001371037382 1155666993 /nfs/dbraw/zinc/66/69/93/1155666993.db2.gz SPHDOHFNZVCJOD-ZOFXXKQRSA-N 1 3 309.498 2.055 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)CC(C)C)C[C@H]21)N(C)C ZINC001371037382 1155666996 /nfs/dbraw/zinc/66/69/96/1155666996.db2.gz SPHDOHFNZVCJOD-ZOFXXKQRSA-N 1 3 309.498 2.055 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCc1cccs1 ZINC001390353733 1155669723 /nfs/dbraw/zinc/66/97/23/1155669723.db2.gz AKNRNWQBHBELFN-ZBFHGGJFSA-N 1 3 323.506 2.258 20 0 DEADHO C[C@H](CNC(=O)CCC[NH+](C)C)NCc1cc2ccccc2o1 ZINC001390467452 1155737567 /nfs/dbraw/zinc/73/75/67/1155737567.db2.gz QPNMATNCYGWAND-CQSZACIVSA-N 1 3 317.433 2.369 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccccc1C1CC1)N(C)C ZINC001390475438 1155746386 /nfs/dbraw/zinc/74/63/86/1155746386.db2.gz FSKRUQLZVTZWRS-KSSFIOAISA-N 1 3 317.477 2.499 20 0 DEADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]C/C=C/c1ccccc1 ZINC001371213984 1155791061 /nfs/dbraw/zinc/79/10/61/1155791061.db2.gz SKSAIXYPBPMYQU-JCVNQNCUSA-N 1 3 315.461 2.278 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CCc1ccccc1 ZINC001371311096 1155819677 /nfs/dbraw/zinc/81/96/77/1155819677.db2.gz YYJSAUZEXDEPKR-INIZCTEOSA-N 1 3 317.477 2.198 20 0 DEADHO Cc1ccc(C)c(C[NH2+][C@H](C)CNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001371366034 1155834810 /nfs/dbraw/zinc/83/48/10/1155834810.db2.gz UJSMBYKURXRJSN-NVXWUHKLSA-N 1 3 317.477 2.240 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]CC1CC(C)(C)C1)N(C)C ZINC001390708212 1155845122 /nfs/dbraw/zinc/84/51/22/1155845122.db2.gz YBBUUQKZDCTQRF-GDBMZVCRSA-N 1 3 311.514 2.493 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](C)Cc1ccc(C)c(C)c1)N(C)C ZINC001390820544 1155883165 /nfs/dbraw/zinc/88/31/65/1155883165.db2.gz VKEZADAWVIRRIJ-KRWDZBQOSA-N 1 3 305.466 2.192 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](C)Cc1ccc(C)c(C)c1)N(C)C ZINC001390820544 1155883167 /nfs/dbraw/zinc/88/31/67/1155883167.db2.gz VKEZADAWVIRRIJ-KRWDZBQOSA-N 1 3 305.466 2.192 20 0 DEADHO C[C@H](c1cccc(F)c1)N(C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001390846474 1155889674 /nfs/dbraw/zinc/88/96/74/1155889674.db2.gz QQZHBKJAVJEGGA-CQSZACIVSA-N 1 3 319.424 2.031 20 0 DEADHO CC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cccc(C)c1)N(C)C ZINC001371767748 1156007539 /nfs/dbraw/zinc/00/75/39/1156007539.db2.gz FFRQFGMBOGUZHV-NVXWUHKLSA-N 1 3 305.466 2.320 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cncs1 ZINC001371888396 1156054391 /nfs/dbraw/zinc/05/43/91/1156054391.db2.gz NPLNZBIJNHJLSY-ZFWWWQNUSA-N 1 3 324.494 2.002 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001391059173 1156075508 /nfs/dbraw/zinc/07/55/08/1156075508.db2.gz GGJJFXLEOGAKLS-WMLDXEAASA-N 1 3 313.461 2.188 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001391059173 1156075515 /nfs/dbraw/zinc/07/55/15/1156075515.db2.gz GGJJFXLEOGAKLS-WMLDXEAASA-N 1 3 313.461 2.188 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(C)cc1)N(C)C ZINC001403152226 1162791999 /nfs/dbraw/zinc/79/19/99/1162791999.db2.gz RCULZQLJZNQPOS-DOTOQJQBSA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(C)cc1)N(C)C ZINC001403152226 1162792007 /nfs/dbraw/zinc/79/20/07/1162792007.db2.gz RCULZQLJZNQPOS-DOTOQJQBSA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@H](F)C[N@@H+]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001372663985 1156654024 /nfs/dbraw/zinc/65/40/24/1156654024.db2.gz TWZRZGWUAYFPKK-CABCVRRESA-N 1 3 315.477 2.151 20 0 DEADHO CC[C@H](F)C[N@H+]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001372663985 1156654042 /nfs/dbraw/zinc/65/40/42/1156654042.db2.gz TWZRZGWUAYFPKK-CABCVRRESA-N 1 3 315.477 2.151 20 0 DEADHO CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCc1ccns1 ZINC001391695104 1156704469 /nfs/dbraw/zinc/70/44/69/1156704469.db2.gz PLNLHQBDNSKGFY-KBPBESRZSA-N 1 3 324.494 2.002 20 0 DEADHO CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCc1ccns1 ZINC001391695104 1156704485 /nfs/dbraw/zinc/70/44/85/1156704485.db2.gz PLNLHQBDNSKGFY-KBPBESRZSA-N 1 3 324.494 2.002 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001403167884 1162803732 /nfs/dbraw/zinc/80/37/32/1162803732.db2.gz OLMIQKQZZZYUOC-LLVKDONJSA-N 1 3 317.886 2.336 20 0 DEADHO CC[C@H](CNC(=O)Cc1nc[nH]c1C)[NH2+]CC1CCCCC1 ZINC001391735777 1156758223 /nfs/dbraw/zinc/75/82/23/1156758223.db2.gz BTAJTJVOXHDVDT-OAHLLOKOSA-N 1 3 306.454 2.325 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H]([NH2+]CCC(C)C)CC1 ZINC001391833183 1156812363 /nfs/dbraw/zinc/81/23/63/1156812363.db2.gz PLHODHRPJKBAJB-SHTZXODSSA-N 1 3 306.454 2.324 20 0 DEADHO C[C@@H](NCCN(C)C(=O)CCC[NH+](C)C)c1ccccc1F ZINC001372944998 1156826778 /nfs/dbraw/zinc/82/67/78/1156826778.db2.gz JHPDCNHFZFBBEW-CQSZACIVSA-N 1 3 309.429 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CC2CC(C)C2)CCCC1 ZINC001392027110 1156852048 /nfs/dbraw/zinc/85/20/48/1156852048.db2.gz SYCYEKJZCSQCBX-UHFFFAOYSA-N 1 3 318.465 2.325 20 0 DEADHO C[C@H](C[NH2+]Cc1cccc(F)c1)N(C)C(=O)CN(C)C1CCC1 ZINC001392070282 1156862010 /nfs/dbraw/zinc/86/20/10/1156862010.db2.gz FZXINKGDWNTPGN-CQSZACIVSA-N 1 3 321.440 2.247 20 0 DEADHO CC[C@H](C)C[N@@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001373193521 1156882670 /nfs/dbraw/zinc/88/26/70/1156882670.db2.gz KGCFLMKALSMJRY-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C)C[N@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001373193521 1156882671 /nfs/dbraw/zinc/88/26/71/1156882671.db2.gz KGCFLMKALSMJRY-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO C[N@H+](CCC(C)(C)C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001373310410 1156963870 /nfs/dbraw/zinc/96/38/70/1156963870.db2.gz HMPYCWFHMLFBHQ-INIZCTEOSA-N 1 3 309.498 2.299 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001373382814 1157020643 /nfs/dbraw/zinc/02/06/43/1157020643.db2.gz QBGLRNPNAXOMFH-QGZVFWFLSA-N 1 3 303.450 2.109 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001373382814 1157020651 /nfs/dbraw/zinc/02/06/51/1157020651.db2.gz QBGLRNPNAXOMFH-QGZVFWFLSA-N 1 3 303.450 2.109 20 0 DEADHO CCN(CC[NH2+][C@@H]1CCc2ccccc21)C(=O)CN(C)C(C)C ZINC001392459957 1157056796 /nfs/dbraw/zinc/05/67/96/1157056796.db2.gz PGWJTAHIEMHCRJ-GOSISDBHSA-N 1 3 317.477 2.452 20 0 DEADHO CC(C)C[C@@H](C)C[NH+]1CC(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001373546691 1157090278 /nfs/dbraw/zinc/09/02/78/1157090278.db2.gz PIJUMQYNLIIIBG-WBVHZDCISA-N 1 3 311.514 2.303 20 0 DEADHO CC(C)C[NH+]1CC([C@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001403304169 1162844772 /nfs/dbraw/zinc/84/47/72/1162844772.db2.gz QQHCSHNKMDTCTJ-HNNXBMFYSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CCc2ccccc2)C1)N(C)C ZINC001373631525 1157182315 /nfs/dbraw/zinc/18/23/15/1157182315.db2.gz ZOYQAHGQVSXTCD-MSOLQXFVSA-N 1 3 317.477 2.006 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N(C)C ZINC001373631525 1157182343 /nfs/dbraw/zinc/18/23/43/1157182343.db2.gz ZOYQAHGQVSXTCD-MSOLQXFVSA-N 1 3 317.477 2.006 20 0 DEADHO C[C@H](CN(C)Cc1cccc(F)c1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001392684644 1157334671 /nfs/dbraw/zinc/33/46/71/1157334671.db2.gz KDFQDJKZLADNDZ-HUUCEWRRSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@H](CN(C)Cc1cccc(F)c1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001392684644 1157334681 /nfs/dbraw/zinc/33/46/81/1157334681.db2.gz KDFQDJKZLADNDZ-HUUCEWRRSA-N 1 3 321.440 2.104 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cc(C)ccc1F)N(C)C ZINC001374279230 1157798915 /nfs/dbraw/zinc/79/89/15/1157798915.db2.gz JANWUOACWKQLBF-PBHICJAKSA-N 1 3 323.456 2.411 20 0 DEADHO Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)CN2CC[C@H](C)C2)cs1 ZINC001374280015 1157800039 /nfs/dbraw/zinc/80/00/39/1157800039.db2.gz KOZPVCNNFCDNRC-UONOGXRCSA-N 1 3 323.506 2.335 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH]cn1 ZINC001374292585 1157804574 /nfs/dbraw/zinc/80/45/74/1157804574.db2.gz FXUUOHKWFNYZSL-LSDHHAIUSA-N 1 3 314.433 2.458 20 0 DEADHO CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1(N(C)C)CCC1)C2 ZINC001393382939 1157816340 /nfs/dbraw/zinc/81/63/40/1157816340.db2.gz HHPHJJNHMORRIX-MUJYYYPQSA-N 1 3 307.482 2.240 20 0 DEADHO CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1(N(C)C)CCC1)C2 ZINC001393382939 1157816343 /nfs/dbraw/zinc/81/63/43/1157816343.db2.gz HHPHJJNHMORRIX-MUJYYYPQSA-N 1 3 307.482 2.240 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccsc2)[C@@H](C)C1 ZINC001374381801 1157833304 /nfs/dbraw/zinc/83/33/04/1157833304.db2.gz HAKJEWQMCVHJQR-GOEBONIOSA-N 1 3 323.506 2.417 20 0 DEADHO CCCN(C)CC(=O)N1CCC([N@H+](C)CCC(F)(F)F)CC1 ZINC001403492692 1162899179 /nfs/dbraw/zinc/89/91/79/1162899179.db2.gz TXCWVVHIXVMRHW-UHFFFAOYSA-N 1 3 323.403 2.203 20 0 DEADHO CCCN(C)CC(=O)N1CCC([N@@H+](C)CCC(F)(F)F)CC1 ZINC001403492692 1162899180 /nfs/dbraw/zinc/89/91/80/1162899180.db2.gz TXCWVVHIXVMRHW-UHFFFAOYSA-N 1 3 323.403 2.203 20 0 DEADHO CC[C@H](C(=O)N1CCC(CC)([NH2+]CC[C@H](C)F)CC1)N(C)C ZINC001393668450 1157897288 /nfs/dbraw/zinc/89/72/88/1157897288.db2.gz MZQIGLICLCJCAN-LSDHHAIUSA-N 1 3 315.477 2.436 20 0 DEADHO C[C@H](c1cccc(F)c1)N(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374556748 1157898935 /nfs/dbraw/zinc/89/89/35/1157898935.db2.gz SUHQCAVVQFJRJN-GDBMZVCRSA-N 1 3 321.440 2.229 20 0 DEADHO C[C@H](c1cccc(F)c1)N(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001374556748 1157898937 /nfs/dbraw/zinc/89/89/37/1157898937.db2.gz SUHQCAVVQFJRJN-GDBMZVCRSA-N 1 3 321.440 2.229 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccccc1)N(C)C ZINC001374897603 1158081137 /nfs/dbraw/zinc/08/11/37/1158081137.db2.gz IPFAVPMEBDEKRE-UXLLHSPISA-N 1 3 305.466 2.428 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)c1cccc(F)c1)N(C)C ZINC001374935875 1158101831 /nfs/dbraw/zinc/10/18/31/1158101831.db2.gz PDODHCPDPJJQJW-ZENOOKHLSA-N 1 3 309.429 2.321 20 0 DEADHO CN(CC(=O)N(C)C1CCC([NH2+]CC2CC2)CC1)C1CCC1 ZINC001394009765 1158160998 /nfs/dbraw/zinc/16/09/98/1158160998.db2.gz NZDMMROKLMZKHK-UHFFFAOYSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)CN(C)Cc1cccc(F)c1)[NH+](C)C ZINC001375148882 1158352280 /nfs/dbraw/zinc/35/22/80/1158352280.db2.gz KBZZIHDQVFALSL-PBHICJAKSA-N 1 3 323.456 2.348 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[N@H+](CCC2CC2)CC1(C)C)N(C)C ZINC001394313236 1158409280 /nfs/dbraw/zinc/40/92/80/1158409280.db2.gz UJJUSIMTDDDSMG-HOTGVXAUSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[N@@H+](CCC2CC2)CC1(C)C)N(C)C ZINC001394313236 1158409285 /nfs/dbraw/zinc/40/92/85/1158409285.db2.gz UJJUSIMTDDDSMG-HOTGVXAUSA-N 1 3 309.498 2.199 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001375519550 1158800289 /nfs/dbraw/zinc/80/02/89/1158800289.db2.gz RGDWNOXRWXYGAQ-DZVNLGKHSA-N 1 3 321.509 2.249 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1 ZINC001375559542 1158812688 /nfs/dbraw/zinc/81/26/88/1158812688.db2.gz XDIJAFRGQZLCKL-QAQDUYKDSA-N 1 3 303.450 2.013 20 0 DEADHO C[C@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)NCc1ccsc1 ZINC001403569560 1163009962 /nfs/dbraw/zinc/00/99/62/1163009962.db2.gz XWDQKOCMOGUSGP-CJNGLKHVSA-N 1 3 321.490 2.026 20 0 DEADHO CN(C)C1(C(=O)NCC[N@H+](C)CCC2CCCCC2)CCC1 ZINC001403581439 1163019943 /nfs/dbraw/zinc/01/99/43/1163019943.db2.gz XZMNPNSNKGSDAJ-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CN(C)C1(C(=O)NCC[N@@H+](C)CCC2CCCCC2)CCC1 ZINC001403581439 1163019949 /nfs/dbraw/zinc/01/99/49/1163019949.db2.gz XZMNPNSNKGSDAJ-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](CN(C)C/C=C\Cl)C1 ZINC001376294877 1159321173 /nfs/dbraw/zinc/32/11/73/1159321173.db2.gz QKWULMNDAZRMSJ-AJHXJQRKSA-N 1 3 315.889 2.251 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](CN(C)C/C=C\Cl)C1 ZINC001376294877 1159321186 /nfs/dbraw/zinc/32/11/86/1159321186.db2.gz QKWULMNDAZRMSJ-AJHXJQRKSA-N 1 3 315.889 2.251 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001376387435 1159379621 /nfs/dbraw/zinc/37/96/21/1159379621.db2.gz IMXPJSBKJXTDOS-BRWVUGGUSA-N 1 3 321.440 2.149 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CCC[N@H+](CC2CCCC2)C1)N(C)C ZINC001376506470 1159484444 /nfs/dbraw/zinc/48/44/44/1159484444.db2.gz DNLYJIYHYWCVFX-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](CC2CCCC2)C1)N(C)C ZINC001376506470 1159484451 /nfs/dbraw/zinc/48/44/51/1159484451.db2.gz DNLYJIYHYWCVFX-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CC1CC(C[N@@H+]2CCC[C@H](CNC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001376509548 1159489170 /nfs/dbraw/zinc/48/91/70/1159489170.db2.gz LSSNVBHBYAKITP-AQFXKWCLSA-N 1 3 321.509 2.345 20 0 DEADHO CC1CC(C[N@H+]2CCC[C@H](CNC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001376509548 1159489174 /nfs/dbraw/zinc/48/91/74/1159489174.db2.gz LSSNVBHBYAKITP-AQFXKWCLSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]CCc2ccccc2)CCC1)N(C)C ZINC001376780841 1159792058 /nfs/dbraw/zinc/79/20/58/1159792058.db2.gz BVEIMAMPJFSBRW-KRWDZBQOSA-N 1 3 317.477 2.198 20 0 DEADHO C[C@@H](c1ccccc1)N(C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001377151494 1159989624 /nfs/dbraw/zinc/98/96/24/1159989624.db2.gz FKDDGJQHYSMOAW-YJBOKZPZSA-N 1 3 315.461 2.137 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cc(F)ccc1C ZINC001377888835 1160862656 /nfs/dbraw/zinc/86/26/56/1160862656.db2.gz YZBXFTKBJMUIRU-HUUCEWRRSA-N 1 3 323.456 2.459 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001398590981 1161006165 /nfs/dbraw/zinc/00/61/65/1161006165.db2.gz ZHQRNPKRKUJHNC-IRXDYDNUSA-N 1 3 309.498 2.296 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001398670646 1161046485 /nfs/dbraw/zinc/04/64/85/1161046485.db2.gz MULGPVXMYYOSHT-UCUFBTAOSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001398794187 1161104485 /nfs/dbraw/zinc/10/44/85/1161104485.db2.gz IONFZPMOKLSJFZ-HOCLYGCPSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001398794187 1161104488 /nfs/dbraw/zinc/10/44/88/1161104488.db2.gz IONFZPMOKLSJFZ-HOCLYGCPSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1cc(C)cc(C[NH2+][C@H](C)CNC(=O)CN(C)C(C)C)c1 ZINC001399172311 1161267903 /nfs/dbraw/zinc/26/79/03/1161267903.db2.gz USPWPJDXRUNIRI-MRXNPFEDSA-N 1 3 305.466 2.238 20 0 DEADHO CC[C@H](F)C[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001399224045 1161289181 /nfs/dbraw/zinc/28/91/81/1161289181.db2.gz KXEPEXMQKPQFRU-IRXDYDNUSA-N 1 3 321.440 2.300 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001399235737 1161295781 /nfs/dbraw/zinc/29/57/81/1161295781.db2.gz CASGXTZEBOZPMM-KRWDZBQOSA-N 1 3 309.498 2.347 20 0 DEADHO Cc1cccc(C[NH2+][C@H](C)CCNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001399385437 1161372797 /nfs/dbraw/zinc/37/27/97/1161372797.db2.gz FHHDBUQDZKGIRF-IAGOWNOFSA-N 1 3 317.477 2.321 20 0 DEADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@H](C)c1ccc(F)cc1 ZINC001399831923 1161582629 /nfs/dbraw/zinc/58/26/29/1161582629.db2.gz XHZTZQLHALWYLD-GDBMZVCRSA-N 1 3 321.440 2.277 20 0 DEADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H](C)c1ccc(F)cc1 ZINC001399831923 1161582638 /nfs/dbraw/zinc/58/26/38/1161582638.db2.gz XHZTZQLHALWYLD-GDBMZVCRSA-N 1 3 321.440 2.277 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CC[N@H+](CC2CCCCC2)C1)N(C)C ZINC001399916720 1161606517 /nfs/dbraw/zinc/60/65/17/1161606517.db2.gz RAOXNDKWILXWJC-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CC[N@@H+](CC2CCCCC2)C1)N(C)C ZINC001399916720 1161606518 /nfs/dbraw/zinc/60/65/18/1161606518.db2.gz RAOXNDKWILXWJC-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1cc(C[N@H+]2CC[C@H](CNC(=O)CN(C)C(C)C)C2)cs1 ZINC001399931314 1161610708 /nfs/dbraw/zinc/61/07/08/1161610708.db2.gz JQICUVTVAAMJJF-OAHLLOKOSA-N 1 3 323.506 2.335 20 0 DEADHO Cc1cc(C[N@@H+]2CC[C@H](CNC(=O)CN(C)C(C)C)C2)cs1 ZINC001399931314 1161610710 /nfs/dbraw/zinc/61/07/10/1161610710.db2.gz JQICUVTVAAMJJF-OAHLLOKOSA-N 1 3 323.506 2.335 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CC2CCCC2)C1)N(C)C ZINC001400740753 1161812778 /nfs/dbraw/zinc/81/27/78/1161812778.db2.gz KEGCKXWGMWZUJA-IRXDYDNUSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](CC2CCCC2)C1)N(C)C ZINC001400740753 1161812779 /nfs/dbraw/zinc/81/27/79/1161812779.db2.gz KEGCKXWGMWZUJA-IRXDYDNUSA-N 1 3 309.498 2.296 20 0 DEADHO C[C@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)CC[NH+](C)C ZINC001401387252 1161967459 /nfs/dbraw/zinc/96/74/59/1161967459.db2.gz MWYGQJRUMTUNHY-CQSZACIVSA-N 1 3 309.429 2.229 20 0 DEADHO C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1)NC(=O)CN(C)C1CCC1 ZINC001401627016 1162051261 /nfs/dbraw/zinc/05/12/61/1162051261.db2.gz RJEQNAPSILBELI-ZIAGYGMSSA-N 1 3 321.440 2.465 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001401989782 1162208930 /nfs/dbraw/zinc/20/89/30/1162208930.db2.gz YSJDEVMNHNWNQR-AWEZNQCLSA-N 1 3 321.440 2.465 20 0 DEADHO CN(C)C1(C(=O)N(C)C2CC[NH+](CC3CCC3)CC2)CCC1 ZINC001402039261 1162224850 /nfs/dbraw/zinc/22/48/50/1162224850.db2.gz MITLQXIEFGMJLE-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]([NH2+]CCC1CC1)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001402047851 1162228030 /nfs/dbraw/zinc/22/80/30/1162228030.db2.gz PZXNVIYJTBOUPO-CZUORRHYSA-N 1 3 304.438 2.112 20 0 DEADHO CCc1ccc(CN2CCC[C@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001402089659 1162243417 /nfs/dbraw/zinc/24/34/17/1162243417.db2.gz BPNYEKCKMOXKLW-SFHVURJKSA-N 1 3 317.477 2.281 20 0 DEADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1CN(Cc2ccccc2)C1 ZINC001404929410 1163862187 /nfs/dbraw/zinc/86/21/87/1163862187.db2.gz JWJNWZAOEFTUQH-HZPDHXFCSA-N 1 3 315.461 2.107 20 0 DEADHO CCc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CN2CCCC2)cc1 ZINC001405894243 1164318315 /nfs/dbraw/zinc/31/83/15/1164318315.db2.gz QKSXWKOXLUANNC-INIZCTEOSA-N 1 3 317.477 2.281 20 0 DEADHO Cc1ccc(C[N@@H+](C)CCN(C)C(=O)CN2CCCC2)cc1C ZINC001406169273 1164489846 /nfs/dbraw/zinc/48/98/46/1164489846.db2.gz UVLAUJDLABNHTB-UHFFFAOYSA-N 1 3 317.477 2.289 20 0 DEADHO Cc1ccc(C[N@H+](C)CCN(C)C(=O)CN2CCCC2)cc1C ZINC001406169273 1164489847 /nfs/dbraw/zinc/48/98/47/1164489847.db2.gz UVLAUJDLABNHTB-UHFFFAOYSA-N 1 3 317.477 2.289 20 0 DEADHO CC[C@@H](F)CNC1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCC1 ZINC001407783643 1165308546 /nfs/dbraw/zinc/30/85/46/1165308546.db2.gz WDUKYPUZAGQARG-QLFBSQMISA-N 1 3 313.461 2.093 20 0 DEADHO CC[C@@H](F)CNC1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCC1 ZINC001407783643 1165308553 /nfs/dbraw/zinc/30/85/53/1165308553.db2.gz WDUKYPUZAGQARG-QLFBSQMISA-N 1 3 313.461 2.093 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccccc2F)[C@@H](C)C1 ZINC001408095270 1165474144 /nfs/dbraw/zinc/47/41/44/1165474144.db2.gz GNAHVODYTZYUCK-YOEHRIQHSA-N 1 3 321.440 2.104 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC2CC3(CCC3)C2)[C@@H](C)C1 ZINC001408107088 1165480299 /nfs/dbraw/zinc/48/02/99/1165480299.db2.gz TYYNJYISBRKKGA-RDJZCZTQSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001408358146 1165612860 /nfs/dbraw/zinc/61/28/60/1165612860.db2.gz OFSCMJQVEGBLSX-MSOLQXFVSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001408358146 1165612864 /nfs/dbraw/zinc/61/28/64/1165612864.db2.gz OFSCMJQVEGBLSX-MSOLQXFVSA-N 1 3 321.509 2.297 20 0 DEADHO C[NH+]1CCC(NC(=O)CN2CCC[C@H](C3CCCC3)C2)CC1 ZINC001414064521 1165702690 /nfs/dbraw/zinc/70/26/90/1165702690.db2.gz KKQBNCPFYXPHJR-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(C(C)(C)CC)CC1 ZINC001414551930 1165874601 /nfs/dbraw/zinc/87/46/01/1165874601.db2.gz NSQDOOCVBAYHJS-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(C(C)(C)CC)CC1 ZINC001414551930 1165874605 /nfs/dbraw/zinc/87/46/05/1165874605.db2.gz NSQDOOCVBAYHJS-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO CN(C[C@@H]1CCN1[C@@H]1CCc2ccccc21)C(=O)CC[NH+](C)C ZINC001417757013 1167191126 /nfs/dbraw/zinc/19/11/26/1167191126.db2.gz SAULWSVMMGDQRV-FUHWJXTLSA-N 1 3 315.461 2.158 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)C[C@H]2CC[N@@H+]2CCC2CCCC2)C1 ZINC001417759091 1167192687 /nfs/dbraw/zinc/19/26/87/1167192687.db2.gz QMAFXMJJHMKFKA-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)C[C@H]2CC[N@H+]2CCC2CCCC2)C1 ZINC001417759091 1167192694 /nfs/dbraw/zinc/19/26/94/1167192694.db2.gz QMAFXMJJHMKFKA-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)C2)CCC1 ZINC001418065137 1167390630 /nfs/dbraw/zinc/39/06/30/1167390630.db2.gz XVGXIBNTOZLBFF-ZHCJQAHYSA-N 1 3 319.493 2.144 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001418074041 1167396349 /nfs/dbraw/zinc/39/63/49/1167396349.db2.gz SQMNEUIQSUAVBU-VGWMRTNUSA-N 1 3 313.461 2.234 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]Cc1ccccc1 ZINC001418260997 1167527924 /nfs/dbraw/zinc/52/79/24/1167527924.db2.gz JOLPLBKWDGGPQS-HNNXBMFYSA-N 1 3 303.450 2.155 20 0 DEADHO C[C@H](c1ccccc1)N(C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001418512483 1167742570 /nfs/dbraw/zinc/74/25/70/1167742570.db2.gz OFOIRSUJFXCEEK-HZPDHXFCSA-N 1 3 303.450 2.137 20 0 DEADHO C[C@H](c1ccccc1)N(C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001418512483 1167742579 /nfs/dbraw/zinc/74/25/79/1167742579.db2.gz OFOIRSUJFXCEEK-HZPDHXFCSA-N 1 3 303.450 2.137 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CC(C)C ZINC001418738281 1167929562 /nfs/dbraw/zinc/92/95/62/1167929562.db2.gz JKLGATGPHJHDRD-MLHJIOFPSA-N 1 3 321.509 2.153 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CC(C)C ZINC001418738281 1167929569 /nfs/dbraw/zinc/92/95/69/1167929569.db2.gz JKLGATGPHJHDRD-MLHJIOFPSA-N 1 3 321.509 2.153 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[N@H+](CCC2CCCC2)C2CC2)C1 ZINC001418786210 1167960443 /nfs/dbraw/zinc/96/04/43/1167960443.db2.gz JHZJGYIDYGIESD-INIZCTEOSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[N@@H+](CCC2CCCC2)C2CC2)C1 ZINC001418786210 1167960449 /nfs/dbraw/zinc/96/04/49/1167960449.db2.gz JHZJGYIDYGIESD-INIZCTEOSA-N 1 3 321.509 2.489 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[N@H+](C)CCF)CC1 ZINC001418947792 1168087148 /nfs/dbraw/zinc/08/71/48/1168087148.db2.gz LWZZFIGYTPVRBA-INIZCTEOSA-N 1 3 313.461 2.001 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CCF)CC1 ZINC001418947792 1168087153 /nfs/dbraw/zinc/08/71/53/1168087153.db2.gz LWZZFIGYTPVRBA-INIZCTEOSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1ccc(F)cc1 ZINC001419254404 1168350242 /nfs/dbraw/zinc/35/02/42/1168350242.db2.gz FBAIGQFVWXGDPH-CVEARBPZSA-N 1 3 309.429 2.150 20 0 DEADHO CC1CC(C[NH2+][C@@H](CNC(=O)CN(C)CC(C)(C)C)C2CC2)C1 ZINC001419301653 1168385170 /nfs/dbraw/zinc/38/51/70/1168385170.db2.gz XAJMRWKPYHLOMH-DQPZFDDXSA-N 1 3 323.525 2.495 20 0 DEADHO CC(C)N(C)CC(=O)NCCC1CC[NH+](C/C=C/Cl)CC1 ZINC001419411885 1168454383 /nfs/dbraw/zinc/45/43/83/1168454383.db2.gz BEUIWPKBEMHDSB-XBXARRHUSA-N 1 3 315.889 2.297 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C)ccc2C)C1)N(C)C ZINC001419416097 1168457434 /nfs/dbraw/zinc/45/74/34/1168457434.db2.gz XRQHMICVSVEQRW-BZSNNMDCSA-N 1 3 317.477 2.380 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCc2ccc(C)cc2)C1 ZINC001419433993 1168471330 /nfs/dbraw/zinc/47/13/30/1168471330.db2.gz BFSVSNFVDMXUDU-IYARVYRRSA-N 1 3 317.477 2.116 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCC[C@@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001419538215 1168582380 /nfs/dbraw/zinc/58/23/80/1168582380.db2.gz CGOJCXUMKRVCRA-HIFRSBDPSA-N 1 3 306.454 2.135 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCC[C@@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001419538215 1168582386 /nfs/dbraw/zinc/58/23/86/1168582386.db2.gz CGOJCXUMKRVCRA-HIFRSBDPSA-N 1 3 306.454 2.135 20 0 DEADHO CN(C/C=C\Cl)CCC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001419838292 1168867634 /nfs/dbraw/zinc/86/76/34/1168867634.db2.gz JVRRELWAZVTNMF-WTKPLQERSA-N 1 3 315.889 2.251 20 0 DEADHO CCCC[N@H+](CC)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001420423393 1169523455 /nfs/dbraw/zinc/52/34/55/1169523455.db2.gz PJHIJHHNHSJTSR-QGZVFWFLSA-N 1 3 315.477 2.437 20 0 DEADHO CCCC[N@@H+](CC)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001420423393 1169523472 /nfs/dbraw/zinc/52/34/72/1169523472.db2.gz PJHIJHHNHSJTSR-QGZVFWFLSA-N 1 3 315.477 2.437 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cccc(F)c1)N(C)C ZINC001420427970 1169531722 /nfs/dbraw/zinc/53/17/22/1169531722.db2.gz ORIWKLWTZMWSBT-BBRMVZONSA-N 1 3 309.429 2.006 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2ccc(C)c(C)c2)CC1 ZINC001420992944 1171411184 /nfs/dbraw/zinc/41/11/84/1171411184.db2.gz DWFUREVUQXIHLL-UHFFFAOYSA-N 1 3 317.477 2.384 20 0 DEADHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC=C(Cl)Cl ZINC001421471597 1171813101 /nfs/dbraw/zinc/81/31/01/1171813101.db2.gz RMVJXGCYWLKRJU-RYUDHWBXSA-N 1 3 322.280 2.132 20 0 DEADHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC=C(Cl)Cl ZINC001421471597 1171813104 /nfs/dbraw/zinc/81/31/04/1171813104.db2.gz RMVJXGCYWLKRJU-RYUDHWBXSA-N 1 3 322.280 2.132 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC1CC1)C2 ZINC001421514468 1171828941 /nfs/dbraw/zinc/82/89/41/1171828941.db2.gz HMKILLLNTHLCCS-ULQDDVLXSA-N 1 3 307.482 2.096 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC1CC1)C2 ZINC001421514468 1171828942 /nfs/dbraw/zinc/82/89/42/1171828942.db2.gz HMKILLLNTHLCCS-ULQDDVLXSA-N 1 3 307.482 2.096 20 0 DEADHO C[NH+](C)CCC(=O)N[C@H]1CC[C@H](NC/C(Cl)=C/Cl)CC1 ZINC001421593605 1171861613 /nfs/dbraw/zinc/86/16/13/1171861613.db2.gz OHVXOIKSNSDJFZ-RLNRARFGSA-N 1 3 322.280 2.274 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001421760563 1171971346 /nfs/dbraw/zinc/97/13/46/1171971346.db2.gz RLESJQMWLXSDKO-GUYCJALGSA-N 1 3 323.456 2.316 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccccc2C)CCC1)N(C)C ZINC001421766455 1171978397 /nfs/dbraw/zinc/97/83/97/1171978397.db2.gz MTPUJOWGLGAWDU-KRWDZBQOSA-N 1 3 317.477 2.464 20 0 DEADHO CC(C)[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]CCC(F)(F)F ZINC001422097622 1172301523 /nfs/dbraw/zinc/30/15/23/1172301523.db2.gz PHIVGNWSPOWUMY-ZDUSSCGKSA-N 1 3 323.403 2.154 20 0 DEADHO CC(C)[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccccc1F ZINC001422134614 1172330796 /nfs/dbraw/zinc/33/07/96/1172330796.db2.gz KKTNOAGWJUBWRO-QGZVFWFLSA-N 1 3 323.456 2.396 20 0 DEADHO CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001422244358 1172432831 /nfs/dbraw/zinc/43/28/31/1172432831.db2.gz HNCSZMSHJGPLRJ-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001422244358 1172432836 /nfs/dbraw/zinc/43/28/36/1172432836.db2.gz HNCSZMSHJGPLRJ-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)CC1CCCCC1 ZINC001422532576 1172681603 /nfs/dbraw/zinc/68/16/03/1172681603.db2.gz SAAHNCVBBYDLEI-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)CC1CCCCC1 ZINC001422532576 1172681605 /nfs/dbraw/zinc/68/16/05/1172681605.db2.gz SAAHNCVBBYDLEI-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C1C[NH+](CC2CC3(CCC3)C2)C1 ZINC001422762606 1172846588 /nfs/dbraw/zinc/84/65/88/1172846588.db2.gz XZSQTESUJMYMRZ-HNNXBMFYSA-N 1 3 321.509 2.343 20 0 DEADHO CN1C[C@@H]2CC[C@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001422973901 1172988543 /nfs/dbraw/zinc/98/85/43/1172988543.db2.gz PYLBNQSIMQEXPV-MJBXVCDLSA-N 1 3 311.470 2.220 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN1CCCC(C)C ZINC001423095191 1173072695 /nfs/dbraw/zinc/07/26/95/1173072695.db2.gz UCCGLHHDVZRUDE-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN1CCCC(C)C ZINC001423095191 1173072700 /nfs/dbraw/zinc/07/27/00/1173072700.db2.gz UCCGLHHDVZRUDE-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](F)CN[C@@H](C)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001423142126 1173112112 /nfs/dbraw/zinc/11/21/12/1173112112.db2.gz QJXALCILFQMDTJ-GOEBONIOSA-N 1 3 315.477 2.291 20 0 DEADHO CC[C@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)[C@H](O)C(F)F ZINC001423249668 1173184701 /nfs/dbraw/zinc/18/47/01/1173184701.db2.gz FLIQASQGRYVKNY-WJEHIRDRSA-N 1 3 320.424 2.014 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+]CC[C@H]2CCCOC2)CC1 ZINC001423328461 1173246586 /nfs/dbraw/zinc/24/65/86/1173246586.db2.gz JRZIKZGVMKENTF-WWDZGPRUSA-N 1 3 310.482 2.426 20 0 DEADHO CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001423339957 1173263213 /nfs/dbraw/zinc/26/32/13/1173263213.db2.gz VRJZOFHNMRSZPG-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001423339957 1173263240 /nfs/dbraw/zinc/26/32/40/1173263240.db2.gz VRJZOFHNMRSZPG-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)C[NH2+][C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC1(C)C ZINC001423397540 1173330329 /nfs/dbraw/zinc/33/03/29/1173330329.db2.gz FRRTUVBGWXKHOD-HNNXBMFYSA-N 1 3 311.514 2.447 20 0 DEADHO Cc1cccc(C[N@@H+](C)[C@H](C)CNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001425013281 1174109005 /nfs/dbraw/zinc/10/90/05/1174109005.db2.gz RHRYVYJANCAMJS-IAGOWNOFSA-N 1 3 317.477 2.273 20 0 DEADHO Cc1cccc(C[N@H+](C)[C@H](C)CNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001425013281 1174109016 /nfs/dbraw/zinc/10/90/16/1174109016.db2.gz RHRYVYJANCAMJS-IAGOWNOFSA-N 1 3 317.477 2.273 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)C1C[NH+](CC2CC(C)(C)C2)C1)N(C)C ZINC001425244879 1174255787 /nfs/dbraw/zinc/25/57/87/1174255787.db2.gz BJMUZQBLJKRAPT-WMLDXEAASA-N 1 3 323.525 2.445 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)C ZINC001426166720 1174626504 /nfs/dbraw/zinc/62/65/04/1174626504.db2.gz OHYCRBCTEWSDRV-ZIAGYGMSSA-N 1 3 303.466 2.195 20 0 DEADHO CC[C@H](F)C[NH2+]C1CC(N(C)C(=O)CN2CCC(C)CC2)C1 ZINC001426229152 1174661165 /nfs/dbraw/zinc/66/11/65/1174661165.db2.gz DIDDDFYAIWGHED-FHERZECASA-N 1 3 313.461 2.045 20 0 DEADHO CC[C@@H](C)C[C@@H](CO)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001434527171 1178776251 /nfs/dbraw/zinc/77/62/51/1178776251.db2.gz MFHURTXKKDWMTR-ZLZJIPBDSA-N 1 3 312.498 2.407 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC[C@@H](C)F)C1 ZINC001436344942 1179055321 /nfs/dbraw/zinc/05/53/21/1179055321.db2.gz NSRVNAQXYAHJFH-WCVJEAGWSA-N 1 3 313.461 2.092 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001437571203 1179850439 /nfs/dbraw/zinc/85/04/39/1179850439.db2.gz SUCHGBRQGMTSCI-QGZVFWFLSA-N 1 3 303.450 2.062 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001437571203 1179850441 /nfs/dbraw/zinc/85/04/41/1179850441.db2.gz SUCHGBRQGMTSCI-QGZVFWFLSA-N 1 3 303.450 2.062 20 0 DEADHO CCN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)Cc1ccc(F)cc1 ZINC001437636245 1179871845 /nfs/dbraw/zinc/87/18/45/1179871845.db2.gz AHMQRLOXBAMTKG-INIZCTEOSA-N 1 3 321.440 2.106 20 0 DEADHO CCN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)Cc1ccc(F)cc1 ZINC001437636245 1179871846 /nfs/dbraw/zinc/87/18/46/1179871846.db2.gz AHMQRLOXBAMTKG-INIZCTEOSA-N 1 3 321.440 2.106 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](CC)CC1CC(C)C1 ZINC001437654378 1179878271 /nfs/dbraw/zinc/87/82/71/1179878271.db2.gz YPNGHFANPYHPQB-JCYILVPMSA-N 1 3 309.498 2.345 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](CC)CC1CC(C)C1 ZINC001437654378 1179878274 /nfs/dbraw/zinc/87/82/74/1179878274.db2.gz YPNGHFANPYHPQB-JCYILVPMSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2csc(C)c2)C1)N(C)C ZINC001437739618 1179929527 /nfs/dbraw/zinc/92/95/27/1179929527.db2.gz UZFMKVNFDYAWDO-GOEBONIOSA-N 1 3 323.506 2.335 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2csc(C)c2)C1)N(C)C ZINC001437739618 1179929537 /nfs/dbraw/zinc/92/95/37/1179929537.db2.gz UZFMKVNFDYAWDO-GOEBONIOSA-N 1 3 323.506 2.335 20 0 DEADHO FC(F)(F)Cc1ncc(CN[C@H]2CC23CC[NH2+]CC3)s1 ZINC001580018403 1180393195 /nfs/dbraw/zinc/39/31/95/1180393195.db2.gz GVZVGIBHDAIAFT-JTQLQIEISA-N 1 3 305.369 2.480 20 0 DEADHO CC(C)[C@H](CNC(=O)[C@@H]1CCCN1C(C)C)[NH2+]CCC1CC1 ZINC001438802989 1180816995 /nfs/dbraw/zinc/81/69/95/1180816995.db2.gz KHVNGNJACPDXHV-IRXDYDNUSA-N 1 3 309.498 2.390 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001439182586 1180917639 /nfs/dbraw/zinc/91/76/39/1180917639.db2.gz QOLKHSKWXPEHND-OAHLLOKOSA-N 1 3 309.498 2.391 20 0 DEADHO CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001439689948 1181201551 /nfs/dbraw/zinc/20/15/51/1181201551.db2.gz IFKNRDKKFXBORR-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001439689948 1181201563 /nfs/dbraw/zinc/20/15/63/1181201563.db2.gz IFKNRDKKFXBORR-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H](F)CC[NH+]1CCC(C)(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001439802995 1181241540 /nfs/dbraw/zinc/24/15/40/1181241540.db2.gz RCFGSPWCDAXZKQ-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)[NH2+]CCN(Cc1ccccc1)C(=O)CN(C)C1CCC1 ZINC001440128095 1181360737 /nfs/dbraw/zinc/36/07/37/1181360737.db2.gz PGBNZGGPHIKMCQ-UHFFFAOYSA-N 1 3 317.477 2.498 20 0 DEADHO C[C@@H](NCCF)c1ccc(CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001440224009 1181389332 /nfs/dbraw/zinc/38/93/32/1181389332.db2.gz PFTAAGGHOVYAGK-CQSZACIVSA-N 1 3 321.440 2.265 20 0 DEADHO CC(C)CC[NH2+][C@H]1C[C@H](CNC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001440362704 1181465713 /nfs/dbraw/zinc/46/57/13/1181465713.db2.gz NMAQUIBRTBIQNQ-DSPLQEQRSA-N 1 3 309.498 2.390 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[N@H+](C)CCCC1CCC1 ZINC001440975212 1181807707 /nfs/dbraw/zinc/80/77/07/1181807707.db2.gz VNPOIPFHCOPICW-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[N@@H+](C)CCCC1CCC1 ZINC001440975212 1181807711 /nfs/dbraw/zinc/80/77/11/1181807711.db2.gz VNPOIPFHCOPICW-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC([N@H+](C)CCCF)CC1 ZINC001441396882 1181976369 /nfs/dbraw/zinc/97/63/69/1181976369.db2.gz SGDUGVMKBRVEPI-INIZCTEOSA-N 1 3 313.461 2.143 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC([N@@H+](C)CCCF)CC1 ZINC001441396882 1181976376 /nfs/dbraw/zinc/97/63/76/1181976376.db2.gz SGDUGVMKBRVEPI-INIZCTEOSA-N 1 3 313.461 2.143 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC(C)C ZINC001441675506 1182124296 /nfs/dbraw/zinc/12/42/96/1182124296.db2.gz MPBJCGCIJLOZKY-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)C1(C(=O)NC2CCC([NH2+]C/C=C/Cl)CC2)CCC1 ZINC001441729959 1182138188 /nfs/dbraw/zinc/13/81/88/1182138188.db2.gz NCYRUXPGFWNINS-NYYWCZLTSA-N 1 3 313.873 2.240 20 0 DEADHO C[C@@H]1[C@@H](NCc2ccccc2Cl)CCN1C(=O)CC[NH+](C)C ZINC001441826438 1182189975 /nfs/dbraw/zinc/18/99/75/1182189975.db2.gz QCQREKFGGVDSKS-CJNGLKHVSA-N 1 3 323.868 2.371 20 0 DEADHO C[C@@H]1C[C@@H](NC/C=C\Cl)CN1C(=O)CC[NH+]1CCCCC1 ZINC001441835028 1182205507 /nfs/dbraw/zinc/20/55/07/1182205507.db2.gz MJTYMTXEJNVKTN-JFOCPDPESA-N 1 3 313.873 2.194 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]C/C=C/Cl ZINC001441991240 1182278484 /nfs/dbraw/zinc/27/84/84/1182278484.db2.gz HKUGZNHGRHKSQF-RTIZMKJZSA-N 1 3 301.862 2.096 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1(C2CC[NH+](CC(C)C)CC2)CC1 ZINC001442268791 1182396661 /nfs/dbraw/zinc/39/66/61/1182396661.db2.gz PEOFEQCHAJBADU-UHFFFAOYSA-N 1 3 318.465 2.277 20 0 DEADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001442320042 1182418067 /nfs/dbraw/zinc/41/80/67/1182418067.db2.gz LTZBCTFSLUJLLX-PBHICJAKSA-N 1 3 323.456 2.459 20 0 DEADHO C[C@H](c1ccccc1)N(C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001442503422 1182504593 /nfs/dbraw/zinc/50/45/93/1182504593.db2.gz KVUCCFGYWLJBMH-OAHLLOKOSA-N 1 3 303.450 2.137 20 0 DEADHO Cc1ccc(C[N@@H+](C)CCNC(=O)CN2CC[C@@H](C)C2)cc1C ZINC001442517942 1182512949 /nfs/dbraw/zinc/51/29/49/1182512949.db2.gz KIOFEKOHLYMWRS-OAHLLOKOSA-N 1 3 317.477 2.193 20 0 DEADHO Cc1ccc(C[N@H+](C)CCNC(=O)CN2CC[C@@H](C)C2)cc1C ZINC001442517942 1182512957 /nfs/dbraw/zinc/51/29/57/1182512957.db2.gz KIOFEKOHLYMWRS-OAHLLOKOSA-N 1 3 317.477 2.193 20 0 DEADHO CCCN(C)CC(=O)NCC[N@H+](C)[C@@H]1CCc2c1cccc2F ZINC001442580490 1182551319 /nfs/dbraw/zinc/55/13/19/1182551319.db2.gz IGIITAYENIBTKY-QGZVFWFLSA-N 1 3 321.440 2.203 20 0 DEADHO CCCN(C)CC(=O)NCC[N@@H+](C)[C@@H]1CCc2c1cccc2F ZINC001442580490 1182551326 /nfs/dbraw/zinc/55/13/26/1182551326.db2.gz IGIITAYENIBTKY-QGZVFWFLSA-N 1 3 321.440 2.203 20 0 DEADHO C[C@@H](F)CC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001442813197 1182722821 /nfs/dbraw/zinc/72/28/21/1182722821.db2.gz MZPCCIXOCGECLZ-HUUCEWRRSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H](F)CC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001442813197 1182722825 /nfs/dbraw/zinc/72/28/25/1182722825.db2.gz MZPCCIXOCGECLZ-HUUCEWRRSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC001442906560 1182787322 /nfs/dbraw/zinc/78/73/22/1182787322.db2.gz MLAWMUGIJNWQTC-INIZCTEOSA-N 1 3 321.440 2.104 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC001442906560 1182787333 /nfs/dbraw/zinc/78/73/33/1182787333.db2.gz MLAWMUGIJNWQTC-INIZCTEOSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCN1C)c1cccc(F)c1 ZINC001443093886 1182846420 /nfs/dbraw/zinc/84/64/20/1182846420.db2.gz BQDJDNIUQOMJOU-BBRMVZONSA-N 1 3 307.413 2.029 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[NH2+][C@H]1CCc2ccccc21 ZINC001443094699 1182846511 /nfs/dbraw/zinc/84/65/11/1182846511.db2.gz CPLJCLLQXSOARN-KRWDZBQOSA-N 1 3 303.450 2.062 20 0 DEADHO Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)CN(C)C(C)C)cs1 ZINC001444456731 1183396688 /nfs/dbraw/zinc/39/66/88/1183396688.db2.gz YRRZIVVOQRFVIF-CYBMUJFWSA-N 1 3 311.495 2.239 20 0 DEADHO CC[C@@H](F)CNC[C@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001444723502 1183531671 /nfs/dbraw/zinc/53/16/71/1183531671.db2.gz PEWUVPCWVWBCKR-LSDHHAIUSA-N 1 3 301.450 2.047 20 0 DEADHO C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1)N(C)C(=O)CN1CCCC1 ZINC001444728707 1183533162 /nfs/dbraw/zinc/53/31/62/1183533162.db2.gz NYLOZCRSDMKVIO-HUUCEWRRSA-N 1 3 321.440 2.419 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccsc2)[C@@H](C)C1 ZINC001444785183 1183553863 /nfs/dbraw/zinc/55/38/63/1183553863.db2.gz INBRUOFSKCVYGX-GOEBONIOSA-N 1 3 323.506 2.415 20 0 DEADHO C[C@@H](CN(C)[C@@H](C)c1ccc(F)cc1)NC(=O)CC[NH+](C)C ZINC001445804443 1184062920 /nfs/dbraw/zinc/06/29/20/1184062920.db2.gz WNVCVMOXXPRYAW-KBPBESRZSA-N 1 3 309.429 2.275 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001447106211 1184639805 /nfs/dbraw/zinc/63/98/05/1184639805.db2.gz SSOHWYXELAXAPJ-BRWVUGGUSA-N 1 3 311.514 2.493 20 0 DEADHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1C[NH+](CCC2CC2)C1 ZINC001448318729 1185160559 /nfs/dbraw/zinc/16/05/59/1185160559.db2.gz KTVLJQHYMAFSQZ-CQSZACIVSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[NH+]1CC([C@H](C)NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001448319406 1185161320 /nfs/dbraw/zinc/16/13/20/1185161320.db2.gz LVTYRFMBAOJKJW-GUYCJALGSA-N 1 3 313.461 2.044 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001448521687 1185273309 /nfs/dbraw/zinc/27/33/09/1185273309.db2.gz ZFMORHNDVSRIIE-QAQDUYKDSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(F)c1)N(C)C ZINC001448675204 1185357503 /nfs/dbraw/zinc/35/75/03/1185357503.db2.gz RQBWVJMVRVULFA-PBHICJAKSA-N 1 3 323.456 2.348 20 0 DEADHO CCC(CC)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H]1C ZINC001448989041 1185473757 /nfs/dbraw/zinc/47/37/57/1185473757.db2.gz UWIZSVFOLQCDNG-RHSMWYFYSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC2(C3CC[NH+](CC4CC4)CC3)CC2)C1 ZINC001449401985 1185701586 /nfs/dbraw/zinc/70/15/86/1185701586.db2.gz NIIARJBELRBWOQ-OAHLLOKOSA-N 1 3 319.493 2.099 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCC(C)C)C1 ZINC001449401853 1185701675 /nfs/dbraw/zinc/70/16/75/1185701675.db2.gz IZYYSWILSQMGDJ-OFLPRAFFSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106246500 782567188 /nfs/dbraw/zinc/56/71/88/782567188.db2.gz MJECSAYFVDCIEY-ARFHVFGLSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCC(C)(C)C ZINC001106249669 782569656 /nfs/dbraw/zinc/56/96/56/782569656.db2.gz MURUUGGWLNLQFJ-OIISXLGYSA-N 1 3 323.525 2.447 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](CC1CCCCC1)C2)N(C)C ZINC001072989284 790358403 /nfs/dbraw/zinc/35/84/03/790358403.db2.gz HFZUUIZGFFVLLZ-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CC1CCCCC1)C2)N(C)C ZINC001072989284 790358416 /nfs/dbraw/zinc/35/84/16/790358416.db2.gz HFZUUIZGFFVLLZ-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001209835626 776765818 /nfs/dbraw/zinc/76/58/18/776765818.db2.gz COCQGHILMRLYBQ-HNNXBMFYSA-N 1 3 304.438 2.113 20 0 DEADHO CC[C@@H](C(=O)NCCC1(C[NH2+]Cc2ccsc2)CC1)N(C)C ZINC001167260736 776810185 /nfs/dbraw/zinc/81/01/85/776810185.db2.gz HIODLNGVQMHWAA-HNNXBMFYSA-N 1 3 323.506 2.464 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H](NC[C@H](F)CC)C1 ZINC001210788688 776948777 /nfs/dbraw/zinc/94/87/77/776948777.db2.gz HVFDKGYOEXYKNY-HUUCEWRRSA-N 1 3 301.450 2.047 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H](NC[C@H](F)CC)C1 ZINC001210788688 776948781 /nfs/dbraw/zinc/94/87/81/776948781.db2.gz HVFDKGYOEXYKNY-HUUCEWRRSA-N 1 3 301.450 2.047 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC001211278260 777028377 /nfs/dbraw/zinc/02/83/77/777028377.db2.gz QXXOZOSJCZLATO-GOSISDBHSA-N 1 3 317.477 2.150 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCF)C1)N(C)C ZINC001104322604 777045077 /nfs/dbraw/zinc/04/50/77/777045077.db2.gz TZEZOTASSUNUBL-OAGGEKHMSA-N 1 3 315.477 2.006 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCF)C1 ZINC001104362716 777132388 /nfs/dbraw/zinc/13/23/88/777132388.db2.gz GGMYIEVBGHVFMJ-HUUCEWRRSA-N 1 3 315.477 2.151 20 0 DEADHO CC/C=C/CC[NH2+]C1CC(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001100678311 777688850 /nfs/dbraw/zinc/68/88/50/777688850.db2.gz HBGZATLBAQQHFT-MGXIWDSBSA-N 1 3 307.482 2.169 20 0 DEADHO CCN(CC)Cc1cc(-n2ccc(C[NH3+])cc2=N)ccc1OC ZINC001167693214 777823173 /nfs/dbraw/zinc/82/31/73/777823173.db2.gz CLTFVNPILNXQHX-UHFFFAOYSA-N 1 3 314.433 2.266 20 0 DEADHO C[NH+](C)Cc1c[nH]c2nccc(-n3nc(CN)c4ccccc43)c12 ZINC001167698391 777891500 /nfs/dbraw/zinc/89/15/00/777891500.db2.gz UXQBKJVTIWUOIY-UHFFFAOYSA-N 1 3 320.400 2.422 20 0 DEADHO N=C(NCCCC[NH3+])Nc1cc2c(nn1)-c1ccccc1CCC2 ZINC001167880405 778743744 /nfs/dbraw/zinc/74/37/44/778743744.db2.gz LQNKXSAIAXOZRU-UHFFFAOYSA-N 1 3 324.432 2.307 20 0 DEADHO CCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001073461566 790669056 /nfs/dbraw/zinc/66/90/56/790669056.db2.gz FXKWXAXUQDTPDK-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO CCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001073461566 790669060 /nfs/dbraw/zinc/66/90/60/790669060.db2.gz FXKWXAXUQDTPDK-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO CN1CCC[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@@H]21 ZINC001168004759 779263734 /nfs/dbraw/zinc/26/37/34/779263734.db2.gz YPLOYFUDVKVQRL-BBCBXFPWSA-N 1 3 303.494 2.418 20 0 DEADHO CN1CCC[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@@H]21 ZINC001168004759 779263736 /nfs/dbraw/zinc/26/37/36/779263736.db2.gz YPLOYFUDVKVQRL-BBCBXFPWSA-N 1 3 303.494 2.418 20 0 DEADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)[C@H]1CC ZINC001087636420 779388623 /nfs/dbraw/zinc/38/86/23/779388623.db2.gz PNTLRBRKLGYCMF-BBWFWOEESA-N 1 3 309.498 2.486 20 0 DEADHO CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)[C@H]1CC ZINC001087636420 779388626 /nfs/dbraw/zinc/38/86/26/779388626.db2.gz PNTLRBRKLGYCMF-BBWFWOEESA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCN(C)CC2)CCO1 ZINC001168073322 779844730 /nfs/dbraw/zinc/84/47/30/779844730.db2.gz CCNSJNUADPZARC-LPHOPBHVSA-N 1 3 317.477 2.091 20 0 DEADHO CC(C)[NH2+][C@H]1CCCCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001088380923 780048413 /nfs/dbraw/zinc/04/84/13/780048413.db2.gz SKOISXRHFUUPRL-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCC2)[C@@H]1C ZINC001088693446 780828354 /nfs/dbraw/zinc/82/83/54/780828354.db2.gz ZVFOWTYOKNSCFT-NJAFHUGGSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCC2)[C@@H]1C ZINC001088693446 780828360 /nfs/dbraw/zinc/82/83/60/780828360.db2.gz ZVFOWTYOKNSCFT-NJAFHUGGSA-N 1 3 321.509 2.486 20 0 DEADHO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ncnc4c3CNCC4)c2c1 ZINC001171167467 790874211 /nfs/dbraw/zinc/87/42/11/790874211.db2.gz ZLSYEVKAJIDZQX-ZDUSSCGKSA-N 1 3 321.428 2.264 20 0 DEADHO CN(C(=O)[C@H]1CCCN1C)[C@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000948246152 783389966 /nfs/dbraw/zinc/38/99/66/783389966.db2.gz WJWYLFYPQOYNGT-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO CN(C(=O)[C@H]1CCCN1C)[C@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000948246152 783389975 /nfs/dbraw/zinc/38/99/75/783389975.db2.gz WJWYLFYPQOYNGT-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000948244983 783390717 /nfs/dbraw/zinc/39/07/17/783390717.db2.gz MCOVMGWNCFUKOU-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000948244983 783390722 /nfs/dbraw/zinc/39/07/22/783390722.db2.gz MCOVMGWNCFUKOU-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H]1CC[N@H+](CC2CCC2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC000967204310 783903214 /nfs/dbraw/zinc/90/32/14/783903214.db2.gz HZZRRTOWNVUYFL-DOTOQJQBSA-N 1 3 319.493 2.242 20 0 DEADHO C[C@H]1CC[N@@H+](CC2CCC2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC000967204310 783903223 /nfs/dbraw/zinc/90/32/23/783903223.db2.gz HZZRRTOWNVUYFL-DOTOQJQBSA-N 1 3 319.493 2.242 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC000967204190 783903342 /nfs/dbraw/zinc/90/33/42/783903342.db2.gz HIIDJBDPAXBTPX-DLBZAZTESA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC000967204190 783903350 /nfs/dbraw/zinc/90/33/50/783903350.db2.gz HIIDJBDPAXBTPX-DLBZAZTESA-N 1 3 321.509 2.488 20 0 DEADHO CCCN1CC[C@H]1CN(C)C(=O)c1ccccc1C[NH+](C)C ZINC001085987309 784285243 /nfs/dbraw/zinc/28/52/43/784285243.db2.gz ZIPHXSIFVKOFFC-INIZCTEOSA-N 1 3 303.450 2.305 20 0 DEADHO CN(CC(=O)N1CC[C@@H]([NH2+]CC2=CCCCC2)C1)C1CCC1 ZINC000968924460 784651578 /nfs/dbraw/zinc/65/15/78/784651578.db2.gz JNWWHKJDGCEIKG-MRXNPFEDSA-N 1 3 305.466 2.162 20 0 DEADHO CN(CC[N@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)N2C)C(=O)OC(C)(C)C ZINC001169124844 785047269 /nfs/dbraw/zinc/04/72/69/785047269.db2.gz FGSFQRODFYZAMP-QDMKHBRRSA-N 1 3 311.470 2.410 20 0 DEADHO CN(CC[N@@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)N2C)C(=O)OC(C)(C)C ZINC001169124844 785047276 /nfs/dbraw/zinc/04/72/76/785047276.db2.gz FGSFQRODFYZAMP-QDMKHBRRSA-N 1 3 311.470 2.410 20 0 DEADHO CN1CCOc2c1cnnc2N[C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169139789 785055061 /nfs/dbraw/zinc/05/50/61/785055061.db2.gz DJVXEHIGQYFUBJ-PXAZEXFGSA-N 1 3 319.453 2.261 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC(NC(=O)C3CCCC3)CC1)C2 ZINC001169140171 785056598 /nfs/dbraw/zinc/05/65/98/785056598.db2.gz IAYABRJDCGUQBG-BCDXTJNWSA-N 1 3 319.493 2.382 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC(NC(=O)C3CCCC3)CC1)C2 ZINC001169140171 785056602 /nfs/dbraw/zinc/05/66/02/785056602.db2.gz IAYABRJDCGUQBG-BCDXTJNWSA-N 1 3 319.493 2.382 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCN(CCc3ccccc3)CC1)C2 ZINC001169142413 785062827 /nfs/dbraw/zinc/06/28/27/785062827.db2.gz UHSYAOXDVXMGPW-PMOLBWCYSA-N 1 3 313.489 2.472 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCN(CCc3ccccc3)CC1)C2 ZINC001169142413 785062838 /nfs/dbraw/zinc/06/28/38/785062838.db2.gz UHSYAOXDVXMGPW-PMOLBWCYSA-N 1 3 313.489 2.472 20 0 DEADHO C[C@@H](CCCC[NH2+]C/C=C/Cl)NC(=O)C1(N(C)C)CCC1 ZINC001171236488 791081874 /nfs/dbraw/zinc/08/18/74/791081874.db2.gz MQOIBQITNDVHAQ-OIOXUXFSSA-N 1 3 315.889 2.488 20 0 DEADHO O=C(N[C@H]1CCC[N@H+](CCC2CC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001008053129 785092942 /nfs/dbraw/zinc/09/29/42/785092942.db2.gz RTKBOOJIDLRKRF-ZWKOTPCHSA-N 1 3 319.493 2.242 20 0 DEADHO O=C(N[C@H]1CCC[N@@H+](CCC2CC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001008053129 785092952 /nfs/dbraw/zinc/09/29/52/785092952.db2.gz RTKBOOJIDLRKRF-ZWKOTPCHSA-N 1 3 319.493 2.242 20 0 DEADHO CC(=O)N1CCC[C@@H]([N@@H+]2CCCC[C@@H]2CCN2CCCC2)C1 ZINC001169613959 785278073 /nfs/dbraw/zinc/27/80/73/785278073.db2.gz AXUYUQHNWYGCOJ-QZTJIDSGSA-N 1 3 307.482 2.338 20 0 DEADHO CC(=O)N1CCC[C@@H]([N@H+]2CCCC[C@@H]2CCN2CCCC2)C1 ZINC001169613959 785278077 /nfs/dbraw/zinc/27/80/77/785278077.db2.gz AXUYUQHNWYGCOJ-QZTJIDSGSA-N 1 3 307.482 2.338 20 0 DEADHO N[C@@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)C1 ZINC001171239790 791103937 /nfs/dbraw/zinc/10/39/37/791103937.db2.gz SQEWYHFBECOCJA-HRBLRVMOSA-N 1 3 313.445 2.245 20 0 DEADHO N[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)C1 ZINC001171239790 791103943 /nfs/dbraw/zinc/10/39/43/791103943.db2.gz SQEWYHFBECOCJA-HRBLRVMOSA-N 1 3 313.445 2.245 20 0 DEADHO Cc1cccc(CN2CCC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001009506829 785468579 /nfs/dbraw/zinc/46/85/79/785468579.db2.gz FKSRJOBWBXNWHE-ZWKOTPCHSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1cccc(CN2CCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001009506829 785468585 /nfs/dbraw/zinc/46/85/85/785468585.db2.gz FKSRJOBWBXNWHE-ZWKOTPCHSA-N 1 3 315.461 2.027 20 0 DEADHO C[C@@H](CCCC[NH2+]CCC1CC1)NC(=O)[C@H](C1CC1)N(C)C ZINC001171248044 791123850 /nfs/dbraw/zinc/12/38/50/791123850.db2.gz QFWTUKCYHLIZTE-YOEHRIQHSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)[N@H+](C)[C@H]1CCN(c2cc(Cl)nc3c2CCNC3)C1 ZINC001157020445 786132763 /nfs/dbraw/zinc/13/27/63/786132763.db2.gz JBBDCLHVZNMGMY-LBPRGKRZSA-N 1 3 308.857 2.300 20 0 DEADHO CC(C)[N@@H+](C)[C@H]1CCN(c2cc(Cl)nc3c2CCNC3)C1 ZINC001157020445 786132766 /nfs/dbraw/zinc/13/27/66/786132766.db2.gz JBBDCLHVZNMGMY-LBPRGKRZSA-N 1 3 308.857 2.300 20 0 DEADHO CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001014400846 786571135 /nfs/dbraw/zinc/57/11/35/786571135.db2.gz SMYNLTMSTDDWEC-SJORKVTESA-N 1 3 309.498 2.486 20 0 DEADHO CCC(CC)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001014400846 786571137 /nfs/dbraw/zinc/57/11/37/786571137.db2.gz SMYNLTMSTDDWEC-SJORKVTESA-N 1 3 309.498 2.486 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]Cc1cc(C)cc(C)c1 ZINC001130419072 787392667 /nfs/dbraw/zinc/39/26/67/787392667.db2.gz KEEYPGMXZOGMQA-UHFFFAOYSA-N 1 3 305.466 2.240 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCC1CC([NH2+]C/C=C/Cl)C1 ZINC001100320543 787437410 /nfs/dbraw/zinc/43/74/10/787437410.db2.gz HPORNLWPFSWLJS-PYZVULKVSA-N 1 3 313.873 2.096 20 0 DEADHO CCOC(=O)C1=C(Nc2ccc([C@H]3CCC[NH2+]3)cc2)CCNC1 ZINC001170516391 787480736 /nfs/dbraw/zinc/48/07/36/787480736.db2.gz AEUNLILUXPSPOO-MRXNPFEDSA-N 1 3 315.417 2.334 20 0 DEADHO CCOC(=O)C1=C(Nc2ccccc2C(C)(C)[NH3+])CCNC1 ZINC001170521497 787497892 /nfs/dbraw/zinc/49/78/92/787497892.db2.gz WEUGKGRVQWYVKE-UHFFFAOYSA-N 1 3 303.406 2.103 20 0 DEADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001096101137 787505676 /nfs/dbraw/zinc/50/56/76/787505676.db2.gz OFIULYPHIBJPNM-NCOADZHNSA-N 1 3 307.482 2.381 20 0 DEADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001096101137 787505681 /nfs/dbraw/zinc/50/56/81/787505681.db2.gz OFIULYPHIBJPNM-NCOADZHNSA-N 1 3 307.482 2.381 20 0 DEADHO [NH3+]C1CCN(CCc2cn(-c3cncnc3)c3ccccc23)CC1 ZINC001170525743 787516995 /nfs/dbraw/zinc/51/69/95/787516995.db2.gz NNFXZKLQQRSDPO-UHFFFAOYSA-N 1 3 321.428 2.386 20 0 DEADHO Cc1cccc(CN2C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]2C)c1 ZINC001132274449 788005700 /nfs/dbraw/zinc/00/57/00/788005700.db2.gz UHVQCQVYMCRUIS-WMZOPIPTSA-N 1 3 317.477 2.416 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC2CC2)C1 ZINC001132938819 788232362 /nfs/dbraw/zinc/23/23/62/788232362.db2.gz ZJGWKHHDTAEXHU-ZBFHGGJFSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@H]1C ZINC001133194425 788313447 /nfs/dbraw/zinc/31/34/47/788313447.db2.gz FLTBMDVLACYPRQ-MSOLQXFVSA-N 1 3 323.525 2.449 20 0 DEADHO CC(C)[C@H](C(=O)NCC[NH2+]CCCCC(F)(F)F)N(C)C ZINC001133416027 788408116 /nfs/dbraw/zinc/40/81/16/788408116.db2.gz ZCXVBLOHIYCGMO-GFCCVEGCSA-N 1 3 311.392 2.011 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+][C@H]1CCCc2ccccc21 ZINC001133823432 788619413 /nfs/dbraw/zinc/61/94/13/788619413.db2.gz GGKUUASKZKIYSI-QAPCUYQASA-N 1 3 315.461 2.254 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]CC1CCC(F)(F)CC1 ZINC001133823787 788619999 /nfs/dbraw/zinc/61/99/99/788619999.db2.gz ONWMJLHVEQFZIG-ZDUSSCGKSA-N 1 3 317.424 2.002 20 0 DEADHO CC[C@H]([NH2+]CCNC(=O)CN1CCC[C@H]1C)c1ccccc1 ZINC001133823640 788620233 /nfs/dbraw/zinc/62/02/33/788620233.db2.gz KZEMLKLWRILFOT-WBVHZDCISA-N 1 3 303.450 2.328 20 0 DEADHO C[C@@H](NCCNC(=O)C[N@@H+]1CCC[C@H]1C)c1ccccc1F ZINC001133833917 788626966 /nfs/dbraw/zinc/62/69/66/788626966.db2.gz JLWUSVPZXSBPGG-ZIAGYGMSSA-N 1 3 307.413 2.077 20 0 DEADHO C[C@@H](NCCNC(=O)C[N@H+]1CCC[C@H]1C)c1ccccc1F ZINC001133833917 788626970 /nfs/dbraw/zinc/62/69/70/788626970.db2.gz JLWUSVPZXSBPGG-ZIAGYGMSSA-N 1 3 307.413 2.077 20 0 DEADHO CC[C@@H]([NH2+]CCNC(=O)CN1CC[C@H](C)C1)c1ccc(F)cc1 ZINC001133851008 788633080 /nfs/dbraw/zinc/63/30/80/788633080.db2.gz UQRPBYAXEXZYCD-WMLDXEAASA-N 1 3 321.440 2.324 20 0 DEADHO CCCCCC[NH2+]CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001133856926 788641264 /nfs/dbraw/zinc/64/12/64/788641264.db2.gz WCHAMJGMHOBJTC-KRWDZBQOSA-N 1 3 315.477 2.485 20 0 DEADHO C[C@H]([NH2+]CCNC(=O)CN1CCC(C)(C)C1)c1ccc(F)cc1 ZINC001133896098 788662192 /nfs/dbraw/zinc/66/21/92/788662192.db2.gz CHQSQNIDCFYOFR-AWEZNQCLSA-N 1 3 321.440 2.324 20 0 DEADHO CC1(C)CCN(CC(=O)NCC[NH2+]CC2CCCCCC2)C1 ZINC001133896295 788662481 /nfs/dbraw/zinc/66/24/81/788662481.db2.gz HFFUHUHWTNVMCF-UHFFFAOYSA-N 1 3 309.498 2.395 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CCCCOC ZINC001134773212 789072754 /nfs/dbraw/zinc/07/27/54/789072754.db2.gz NJHYCADZCINMAB-LSDHHAIUSA-N 1 3 315.502 2.016 20 0 DEADHO CCCCCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCOC ZINC001135690431 789450117 /nfs/dbraw/zinc/45/01/17/789450117.db2.gz HKOHYSIPICVFGL-HOTGVXAUSA-N 1 3 315.502 2.018 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cncc(C)c1 ZINC001135743378 789475697 /nfs/dbraw/zinc/47/56/97/789475697.db2.gz JJMFBDFVWYQGOE-JKSUJKDBSA-N 1 3 320.481 2.105 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ncccc1C ZINC001135744249 789475785 /nfs/dbraw/zinc/47/57/85/789475785.db2.gz YDVASBWCYIBVHS-HZPDHXFCSA-N 1 3 320.481 2.105 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1 ZINC001135977503 789586975 /nfs/dbraw/zinc/58/69/75/789586975.db2.gz UKTPHWYXQPYODH-HZPDHXFCSA-N 1 3 305.466 2.401 20 0 DEADHO N[C@@H](CCC[NH3+])NC(F)(F)c1nc2ccsc2c(Cl)n1 ZINC001159786358 789679193 /nfs/dbraw/zinc/67/91/93/789679193.db2.gz YNTAFGGKAYZCJC-SSDOTTSWSA-N 1 3 321.784 2.007 20 0 DEADHO C[C@@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C[N@@H+]1CCCF ZINC001071739217 789898891 /nfs/dbraw/zinc/89/88/91/789898891.db2.gz PJNQZBGKRZRGNH-HUUCEWRRSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C[N@H+]1CCCF ZINC001071739217 789898895 /nfs/dbraw/zinc/89/88/95/789898895.db2.gz PJNQZBGKRZRGNH-HUUCEWRRSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H](CCCC[NH2+]C/C=C/Cl)NC(=O)CN(C)C1CCC1 ZINC001171261642 791180748 /nfs/dbraw/zinc/18/07/48/791180748.db2.gz XLHTWPCPZGJUMF-OAUONFCTSA-N 1 3 315.889 2.488 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NCCNCc2ccc(F)cc2)CC1 ZINC001146355928 791274856 /nfs/dbraw/zinc/27/48/56/791274856.db2.gz ICXWWXMLMXRHDX-UHFFFAOYSA-N 1 3 321.440 2.152 20 0 DEADHO Cc1cc(CNCCNC(=O)C2CC[NH+](C(C)C)CC2)cs1 ZINC001146383010 791284163 /nfs/dbraw/zinc/28/41/63/791284163.db2.gz AGUAPLLRQZIRIV-UHFFFAOYSA-N 1 3 323.506 2.383 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]Cc3ccccc3)[C@@H]2C)C1 ZINC001074878355 791364485 /nfs/dbraw/zinc/36/44/85/791364485.db2.gz PAEKADNDSMYPMP-RYRKJORJSA-N 1 3 315.461 2.107 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCNC/C=C/Cl ZINC001147359570 791516112 /nfs/dbraw/zinc/51/61/12/791516112.db2.gz SMWAQVZITHPAMH-IZPAUZPXSA-N 1 3 301.862 2.099 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCNC/C=C/Cl ZINC001147359570 791516118 /nfs/dbraw/zinc/51/61/18/791516118.db2.gz SMWAQVZITHPAMH-IZPAUZPXSA-N 1 3 301.862 2.099 20 0 DEADHO CC/C=C\CC[N@@H+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001147724622 791605444 /nfs/dbraw/zinc/60/54/44/791605444.db2.gz KYUXZNKZWLHHCZ-WAYWQWQTSA-N 1 3 319.493 2.361 20 0 DEADHO CC/C=C\CC[N@H+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001147724622 791605449 /nfs/dbraw/zinc/60/54/49/791605449.db2.gz KYUXZNKZWLHHCZ-WAYWQWQTSA-N 1 3 319.493 2.361 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CC[N@H+](CCCC(C)C)C2)N(C)C ZINC001147773737 791612113 /nfs/dbraw/zinc/61/21/13/791612113.db2.gz LUIAFKNBQIIYLH-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](CCCC(C)C)C2)N(C)C ZINC001147773737 791612117 /nfs/dbraw/zinc/61/21/17/791612117.db2.gz LUIAFKNBQIIYLH-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CCCCC[N@@H+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001148285412 791729288 /nfs/dbraw/zinc/72/92/88/791729288.db2.gz QWKJJTKABNAQRD-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO CCCCC[N@H+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001148285412 791729289 /nfs/dbraw/zinc/72/92/89/791729289.db2.gz QWKJJTKABNAQRD-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCC)C[C@@]2(C)C1 ZINC001091716217 791742141 /nfs/dbraw/zinc/74/21/41/791742141.db2.gz OJMKKSMLXCZTDZ-RYRKJORJSA-N 1 3 307.482 2.051 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCC)C[C@@]2(C)C1 ZINC001091716217 791742145 /nfs/dbraw/zinc/74/21/45/791742145.db2.gz OJMKKSMLXCZTDZ-RYRKJORJSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC001086908373 791846134 /nfs/dbraw/zinc/84/61/34/791846134.db2.gz ZEELEMUSMXDXGG-HZPDHXFCSA-N 1 3 307.482 2.194 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092011178 791922769 /nfs/dbraw/zinc/92/27/69/791922769.db2.gz RXNKCHBPQHAWNU-JZXOWHBKSA-N 1 3 307.482 2.051 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092011178 791922773 /nfs/dbraw/zinc/92/27/73/791922773.db2.gz RXNKCHBPQHAWNU-JZXOWHBKSA-N 1 3 307.482 2.051 20 0 DEADHO CC/C=C/CC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001100426414 792642513 /nfs/dbraw/zinc/64/25/13/792642513.db2.gz HDCIFOZIYKTKKN-ZVDQRRRGSA-N 1 3 309.498 2.413 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC2CC([NH2+]CC3=CCCCC3)C2)C1 ZINC001100678397 792784457 /nfs/dbraw/zinc/78/44/57/792784457.db2.gz JNDUQGRVJSDYRB-FAEJEUNOSA-N 1 3 319.493 2.313 20 0 DEADHO CCCN(C)CC(=O)NCC1CC([NH2+]Cc2cccc(C)c2)C1 ZINC001100900198 792908493 /nfs/dbraw/zinc/90/84/93/792908493.db2.gz VKGBBBXEHWDBJM-UHFFFAOYSA-N 1 3 317.477 2.321 20 0 DEADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]CCC2CCCC2)C1 ZINC001101037806 792979696 /nfs/dbraw/zinc/97/96/96/792979696.db2.gz XRUCZVUPIZNFON-UHFFFAOYSA-N 1 3 309.498 2.391 20 0 DEADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](CCC(C)C)C[C@@]2(C)C1 ZINC001101400377 793144431 /nfs/dbraw/zinc/14/44/31/793144431.db2.gz UCWRMXQAMQDQPG-AEFFLSMTSA-N 1 3 309.498 2.155 20 0 DEADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](CCC(C)C)C[C@@]2(C)C1 ZINC001101400377 793144436 /nfs/dbraw/zinc/14/44/36/793144436.db2.gz UCWRMXQAMQDQPG-AEFFLSMTSA-N 1 3 309.498 2.155 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](CC3CC(C)C3)C[C@@]2(C)C1 ZINC001101443687 793163707 /nfs/dbraw/zinc/16/37/07/793163707.db2.gz OEKXROUKXCMKFS-WXVPWVKJSA-N 1 3 321.509 2.155 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](CC3CC(C)C3)C[C@@]2(C)C1 ZINC001101443687 793163716 /nfs/dbraw/zinc/16/37/16/793163716.db2.gz OEKXROUKXCMKFS-WXVPWVKJSA-N 1 3 321.509 2.155 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001171762358 793198758 /nfs/dbraw/zinc/19/87/58/793198758.db2.gz AUKCRMPTPLFMOP-AWEZNQCLSA-N 1 3 319.440 2.250 20 0 DEADHO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC(N)C1)C2 ZINC001172092939 793314368 /nfs/dbraw/zinc/31/43/68/793314368.db2.gz CJWCGHRXDHGKGU-YJIWRGBVSA-N 1 3 309.454 2.386 20 0 DEADHO COC(=O)CCN(CCC[NH+](C)C)[C@H](C)CCOC(C)C ZINC001172451246 793432048 /nfs/dbraw/zinc/43/20/48/793432048.db2.gz NQTAVYQLIZLJBF-OAHLLOKOSA-N 1 3 302.459 2.007 20 0 DEADHO CC(C)CCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048843 793487277 /nfs/dbraw/zinc/48/72/77/793487277.db2.gz QWLAIDVMHMHYRH-KBAYOESNSA-N 1 3 323.525 2.447 20 0 DEADHO CC(C)CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048843 793487278 /nfs/dbraw/zinc/48/72/78/793487278.db2.gz QWLAIDVMHMHYRH-KBAYOESNSA-N 1 3 323.525 2.447 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@@H](CNC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001102051781 793488193 /nfs/dbraw/zinc/48/81/93/793488193.db2.gz MPQYWZRGCHFNBG-HZPDHXFCSA-N 1 3 307.482 2.121 20 0 DEADHO CC(C)=CC[N@H+]1C[C@@H](CNC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001102051781 793488198 /nfs/dbraw/zinc/48/81/98/793488198.db2.gz MPQYWZRGCHFNBG-HZPDHXFCSA-N 1 3 307.482 2.121 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CN(C/C=C\Cl)C[C@H]1C)[NH+](C)C ZINC001102071883 793494232 /nfs/dbraw/zinc/49/42/32/793494232.db2.gz XRKYDLKKCAYSPO-WZOPPCPMSA-N 1 3 315.889 2.009 20 0 DEADHO CC(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)(C)C1)C2 ZINC001095000163 793567641 /nfs/dbraw/zinc/56/76/41/793567641.db2.gz VCOKACNTBHTUGS-ULQDDVLXSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C)N(C)C ZINC001102330118 793576038 /nfs/dbraw/zinc/57/60/38/793576038.db2.gz CQFKNUVZWGCEHC-DJIMGWMZSA-N 1 3 309.498 2.057 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C)N(C)C ZINC001102330118 793576049 /nfs/dbraw/zinc/57/60/49/793576049.db2.gz CQFKNUVZWGCEHC-DJIMGWMZSA-N 1 3 309.498 2.057 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@@H](CNC(=O)CN(CC)CC)[C@H](C)C1 ZINC001102475175 793626705 /nfs/dbraw/zinc/62/67/05/793626705.db2.gz BIBXFTYILKOEQG-MGSINWNPSA-N 1 3 309.498 2.369 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)CN(CC)CC)[C@H](C)C1 ZINC001102475175 793626709 /nfs/dbraw/zinc/62/67/09/793626709.db2.gz BIBXFTYILKOEQG-MGSINWNPSA-N 1 3 309.498 2.369 20 0 DEADHO NCCC[N@H+](C1CCCCC1)[C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173736046 793827100 /nfs/dbraw/zinc/82/71/00/793827100.db2.gz XPWMDOWPIHMXRC-HZPDHXFCSA-N 1 3 306.458 2.140 20 0 DEADHO NCCC[N@@H+](C1CCCCC1)[C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173736046 793827106 /nfs/dbraw/zinc/82/71/06/793827106.db2.gz XPWMDOWPIHMXRC-HZPDHXFCSA-N 1 3 306.458 2.140 20 0 DEADHO CC[C@H](C(=O)NCC[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C)N(C)C ZINC001103139895 793952532 /nfs/dbraw/zinc/95/25/32/793952532.db2.gz CUFAURJPGVSJIJ-DJIMGWMZSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C)N(C)C ZINC001103139895 793952541 /nfs/dbraw/zinc/95/25/41/793952541.db2.gz CUFAURJPGVSJIJ-DJIMGWMZSA-N 1 3 309.498 2.201 20 0 DEADHO CN1CCN(c2cc[nH+]cc2Nc2ccc3nccn3c2)CC1 ZINC001174278251 793953070 /nfs/dbraw/zinc/95/30/70/793953070.db2.gz KMIMJGXXUXXDQP-UHFFFAOYSA-N 1 3 308.389 2.225 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]C/C=C/c1ccccc1 ZINC001174682232 794039069 /nfs/dbraw/zinc/03/90/69/794039069.db2.gz HFIXEQRZDKHRGJ-WEVVVXLNSA-N 1 3 312.417 2.070 20 0 DEADHO CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001103408545 794078537 /nfs/dbraw/zinc/07/85/37/794078537.db2.gz HHKHLSYLBYZJBR-BRWVUGGUSA-N 1 3 311.514 2.447 20 0 DEADHO CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001103408545 794078547 /nfs/dbraw/zinc/07/85/47/794078547.db2.gz HHKHLSYLBYZJBR-BRWVUGGUSA-N 1 3 311.514 2.447 20 0 DEADHO CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC[C@@H]2C)C1 ZINC001103435087 794092942 /nfs/dbraw/zinc/09/29/42/794092942.db2.gz OYGLNQALOSRJEM-IXDOHACOSA-N 1 3 309.498 2.345 20 0 DEADHO CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC[C@@H]2C)C1 ZINC001103435087 794092956 /nfs/dbraw/zinc/09/29/56/794092956.db2.gz OYGLNQALOSRJEM-IXDOHACOSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1C[N@H+](CC2CCC2)C[C@H]1CCNC(=O)CN1CCC[C@@H]1C ZINC001103434351 794093134 /nfs/dbraw/zinc/09/31/34/794093134.db2.gz ZYTWULUIUZYWJV-SOLBZPMBSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1CCNC(=O)CN1CCC[C@@H]1C ZINC001103434351 794093142 /nfs/dbraw/zinc/09/31/42/794093142.db2.gz ZYTWULUIUZYWJV-SOLBZPMBSA-N 1 3 321.509 2.345 20 0 DEADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+](CC[C@H](C)F)C[C@H]1C ZINC001103550296 794141492 /nfs/dbraw/zinc/14/14/92/794141492.db2.gz JEZAWBJDTJFPLT-OWCLPIDISA-N 1 3 315.477 2.151 20 0 DEADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+](CC[C@H](C)F)C[C@H]1C ZINC001103550296 794141495 /nfs/dbraw/zinc/14/14/95/794141495.db2.gz JEZAWBJDTJFPLT-OWCLPIDISA-N 1 3 315.477 2.151 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]CCCOCC ZINC001176286086 794390902 /nfs/dbraw/zinc/39/09/02/794390902.db2.gz UBAYTQKQEWAJPS-MRXNPFEDSA-N 1 3 315.502 2.019 20 0 DEADHO Cc1ncoc1C[NH2+]CCCC[C@H](C)NC(=O)CN(C)C(C)C ZINC001176753241 794496431 /nfs/dbraw/zinc/49/64/31/794496431.db2.gz DETIICBLRXGJOY-AWEZNQCLSA-N 1 3 324.469 2.088 20 0 DEADHO CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](C(C)C)C2)N(CC)CC ZINC001111869792 794507114 /nfs/dbraw/zinc/50/71/14/794507114.db2.gz KFGWQWPBVNFGOQ-JZXOWHBKSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](C(C)C)C2)N(CC)CC ZINC001111869792 794507117 /nfs/dbraw/zinc/50/71/17/794507117.db2.gz KFGWQWPBVNFGOQ-JZXOWHBKSA-N 1 3 309.498 2.486 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176972055 794544129 /nfs/dbraw/zinc/54/41/29/794544129.db2.gz MDHMEXNKRHGZPT-UHFFFAOYSA-N 1 3 309.429 2.070 20 0 DEADHO COc1cccc([C@@H](C)[NH2+]CCCNC(=O)CN(C)C(C)C)c1 ZINC001176986658 794548327 /nfs/dbraw/zinc/54/83/27/794548327.db2.gz RYNICPVOYYZQDB-OAHLLOKOSA-N 1 3 321.465 2.192 20 0 DEADHO CC[C@@H](F)C[NH2+]C1(CNC(=O)CN(CC)CC)CCCCC1 ZINC001115777157 794916596 /nfs/dbraw/zinc/91/65/96/794916596.db2.gz DDYLOJSDAGHEAI-OAHLLOKOSA-N 1 3 315.477 2.485 20 0 DEADHO CC(C)OCC[NH2+]CCCCCCNC(=O)CN(C)C(C)C ZINC001180369384 795291833 /nfs/dbraw/zinc/29/18/33/795291833.db2.gz CBKHDIWSMJNFJB-UHFFFAOYSA-N 1 3 315.502 2.018 20 0 DEADHO CC(C)N(C)CC(=O)NCCCCCC[NH2+]Cc1ccccn1 ZINC001180369787 795292289 /nfs/dbraw/zinc/29/22/89/795292289.db2.gz XNQYFYBYXQVELC-UHFFFAOYSA-N 1 3 320.481 2.188 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]C/C=C/Cl)CCCCC1 ZINC001120046147 795397517 /nfs/dbraw/zinc/39/75/17/795397517.db2.gz MQLORUXCBAGYNH-JXMROGBWSA-N 1 3 315.889 2.489 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@H]2CN(CN3CC4(CCCC4)OC3=O)C[C@H]2C1 ZINC001120255942 795430712 /nfs/dbraw/zinc/43/07/12/795430712.db2.gz PFTIDOUIUKKRCA-ARFHVFGLSA-N 1 3 321.465 2.371 20 0 DEADHO CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001181754867 795532748 /nfs/dbraw/zinc/53/27/48/795532748.db2.gz GIGJOTVZVUCMTG-QGPMSJSTSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001181755307 795533451 /nfs/dbraw/zinc/53/34/51/795533451.db2.gz MZMRXMRFUWMGHQ-HHXXYDBFSA-N 1 3 323.525 2.447 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+]CCC[C@H]2CCOC2)CC1 ZINC001181797220 795541406 /nfs/dbraw/zinc/54/14/06/795541406.db2.gz UTTYSEOFIXXNEO-AOCRQIFASA-N 1 3 310.482 2.426 20 0 DEADHO CC(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001121245444 795606720 /nfs/dbraw/zinc/60/67/20/795606720.db2.gz FVIYTRRHNUXVNR-RFSHTEQGSA-N 1 3 321.509 2.390 20 0 DEADHO [NH3+]C[C@H]1CN(CCCc2ccc(Cl)c(Cl)c2)C[C@@H]1O ZINC001206511835 795671445 /nfs/dbraw/zinc/67/14/45/795671445.db2.gz DCFPGAHFVPFFGJ-FZMZJTMJSA-N 1 3 303.233 2.177 20 0 DEADHO Cc1cc([C@H](N)CC(=O)NC[C@H]2CCCC[N@H+]2C)cc(Cl)n1 ZINC001122454021 795760107 /nfs/dbraw/zinc/76/01/07/795760107.db2.gz BGMQOPKPLYHDIK-ZIAGYGMSSA-N 1 3 324.856 2.034 20 0 DEADHO Cc1cc([C@H](N)CC(=O)NC[C@H]2CCCC[N@@H+]2C)cc(Cl)n1 ZINC001122454021 795760108 /nfs/dbraw/zinc/76/01/08/795760108.db2.gz BGMQOPKPLYHDIK-ZIAGYGMSSA-N 1 3 324.856 2.034 20 0 DEADHO CN1CCC(N(C(=O)[C@H]2C[C@@H]([NH+](C)C)C2)C2CCCC2)CC1 ZINC001183376310 795868208 /nfs/dbraw/zinc/86/82/08/795868208.db2.gz ZKZFEEPFFRGRCA-KDYLLFBJSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)[NH+](CCCNC(=O)NC[C@H]1CCCCN1C)C(C)C ZINC001123472209 795918106 /nfs/dbraw/zinc/91/81/06/795918106.db2.gz BOMCWAJNZWJJAT-MRXNPFEDSA-N 1 3 312.502 2.279 20 0 DEADHO CCCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001184576643 796085962 /nfs/dbraw/zinc/08/59/62/796085962.db2.gz JGIQIJRJFOSECT-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001184576213 796086706 /nfs/dbraw/zinc/08/67/06/796086706.db2.gz HEZOHGNOWQUYOO-JKSUJKDBSA-N 1 3 309.498 2.201 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H](C[NH2+]CCC(C)C)[C@@H](C)C1 ZINC001185361443 796238366 /nfs/dbraw/zinc/23/83/66/796238366.db2.gz YMYPTFLOJLGJQF-IRXDYDNUSA-N 1 3 311.514 2.449 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]C/C=C/Cl)[C@H](C)C1 ZINC001185551258 796280365 /nfs/dbraw/zinc/28/03/65/796280365.db2.gz YRAVUSYMFFKCHH-IPKOWEFYSA-N 1 3 315.889 2.155 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CC2CCC2)[C@@H](C)C1 ZINC001185551476 796281434 /nfs/dbraw/zinc/28/14/34/796281434.db2.gz ZSSOIHRFJJXPQK-RDJZCZTQSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CCCC(C)(C)C)C2)C1 ZINC001185659604 796300977 /nfs/dbraw/zinc/30/09/77/796300977.db2.gz LPPXJEUHJVPLDF-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001185753255 796316713 /nfs/dbraw/zinc/31/67/13/796316713.db2.gz WANZYOZHOUGKKC-SJORKVTESA-N 1 3 309.498 2.367 20 0 DEADHO C[C@@H](C(=O)N1CC[C@@H](NC/C=C/Cl)C1)[NH+]1CCCCCC1 ZINC001186074876 796353226 /nfs/dbraw/zinc/35/32/26/796353226.db2.gz JSNRZXCJNROGDW-VKGGURKZSA-N 1 3 313.873 2.194 20 0 DEADHO CN(C)C1(C)CN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001186929917 796459068 /nfs/dbraw/zinc/45/90/68/796459068.db2.gz AIOYFLBUUOJZMO-UHFFFAOYSA-N 1 3 315.461 2.449 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001187284489 796514158 /nfs/dbraw/zinc/51/41/58/796514158.db2.gz XVNHRGGAYZKYTD-GOSISDBHSA-N 1 3 317.477 2.336 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CCC3CC3)C23CCC3)CCC1 ZINC001203028057 796515296 /nfs/dbraw/zinc/51/52/96/796515296.db2.gz KIBRHINZBNBJOS-HOTGVXAUSA-N 1 3 319.493 2.288 20 0 DEADHO Cc1ncoc1CN1CCC(COCC[NH+]2CCCC2)CC1 ZINC001141050531 796626432 /nfs/dbraw/zinc/62/64/32/796626432.db2.gz AMDQOTNHEGILIK-UHFFFAOYSA-N 1 3 307.438 2.307 20 0 DEADHO Cc1ccc(F)cc1C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188145031 796632504 /nfs/dbraw/zinc/63/25/04/796632504.db2.gz BYZXNBLSXMTLHP-QGZVFWFLSA-N 1 3 321.440 2.165 20 0 DEADHO COC(=O)c1ccc2[nH]cc(CN(C)C3CC[NH+](C)CC3)c2c1 ZINC001143227010 796816547 /nfs/dbraw/zinc/81/65/47/796816547.db2.gz NPIRPYSYXDOCMN-UHFFFAOYSA-N 1 3 315.417 2.481 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001161226931 796816871 /nfs/dbraw/zinc/81/68/71/796816871.db2.gz RMWQBGAJKPLAHU-CYBMUJFWSA-N 1 3 319.440 2.248 20 0 DEADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1c[nH]c2c1cccc2C ZINC001151963542 797124386 /nfs/dbraw/zinc/12/43/86/797124386.db2.gz YMPCZEWBJKRBOI-UHFFFAOYSA-N 1 3 315.421 2.154 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cccc(C)c1 ZINC001152445891 797188056 /nfs/dbraw/zinc/18/80/56/797188056.db2.gz QOBLPISSWCNQRM-KRWDZBQOSA-N 1 3 303.450 2.075 20 0 DEADHO C[C@@H](c1cccc(F)c1)N(C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192151697 797328682 /nfs/dbraw/zinc/32/86/82/797328682.db2.gz BYRALFWENIJWNV-YOEHRIQHSA-N 1 3 321.440 2.371 20 0 DEADHO Cc1ccc(CN(C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1F ZINC001192171857 797332309 /nfs/dbraw/zinc/33/23/09/797332309.db2.gz XDZAHZSZQRXEQS-MRXNPFEDSA-N 1 3 321.440 2.119 20 0 DEADHO CC(C)CCC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001192343450 797366056 /nfs/dbraw/zinc/36/60/56/797366056.db2.gz PFGCTCZAFUCFBJ-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001192343450 797366062 /nfs/dbraw/zinc/36/60/62/797366062.db2.gz PFGCTCZAFUCFBJ-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CCC[N@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001192343453 797366829 /nfs/dbraw/zinc/36/68/29/797366829.db2.gz PFGCTCZAFUCFBJ-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CCC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001192343453 797366837 /nfs/dbraw/zinc/36/68/37/797366837.db2.gz PFGCTCZAFUCFBJ-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC[N@H+](CC[C@H](C)F)[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001154579767 797566360 /nfs/dbraw/zinc/56/63/60/797566360.db2.gz CRPIHQPUPTWCOM-LSDHHAIUSA-N 1 3 315.477 2.436 20 0 DEADHO CC[N@@H+](CC[C@H](C)F)[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001154579767 797566366 /nfs/dbraw/zinc/56/63/66/797566366.db2.gz CRPIHQPUPTWCOM-LSDHHAIUSA-N 1 3 315.477 2.436 20 0 DEADHO CCN(Cc1ccc(C)c(F)c1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155004988 797659324 /nfs/dbraw/zinc/65/93/24/797659324.db2.gz BZXDBIMXSZGFTN-OAHLLOKOSA-N 1 3 323.456 2.412 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccccc1)N(C)C ZINC001155289793 797726465 /nfs/dbraw/zinc/72/64/65/797726465.db2.gz ZILQXTSHXWSELX-WBVHZDCISA-N 1 3 305.466 2.353 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1)N(C)C ZINC001155289793 797726470 /nfs/dbraw/zinc/72/64/70/797726470.db2.gz ZILQXTSHXWSELX-WBVHZDCISA-N 1 3 305.466 2.353 20 0 DEADHO Cc1ccc(CC[NH2+]CCNC(=O)CN2[C@@H](C)CC[C@@H]2C)cc1 ZINC001152146875 797782307 /nfs/dbraw/zinc/78/23/07/797782307.db2.gz LITQFPNHIZAKKK-IRXDYDNUSA-N 1 3 317.477 2.116 20 0 DEADHO Cc1ccc(CC[NH2+]CCNC(=O)CN2[C@H](C)CC[C@H]2C)cc1 ZINC001152146874 797782399 /nfs/dbraw/zinc/78/23/99/797782399.db2.gz LITQFPNHIZAKKK-IAGOWNOFSA-N 1 3 317.477 2.116 20 0 DEADHO Cc1cccc(Cl)c1C[NH2+]CCCNC(=O)[C@H]1CCCN1C ZINC001155812919 797853908 /nfs/dbraw/zinc/85/39/08/797853908.db2.gz QBSVVWKLMCQRPN-MRXNPFEDSA-N 1 3 323.868 2.339 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[N@H+](CCCCCF)CC1)C1CC1 ZINC001196162811 798014058 /nfs/dbraw/zinc/01/40/58/798014058.db2.gz AQYVCTPHZHEARG-INIZCTEOSA-N 1 3 313.461 2.001 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[N@@H+](CCCCCF)CC1)C1CC1 ZINC001196162811 798014065 /nfs/dbraw/zinc/01/40/65/798014065.db2.gz AQYVCTPHZHEARG-INIZCTEOSA-N 1 3 313.461 2.001 20 0 DEADHO CCc1ccccc1CN1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197044180 798137411 /nfs/dbraw/zinc/13/74/11/798137411.db2.gz OCHCODKAUHXAIG-UHFFFAOYSA-N 1 3 317.477 2.235 20 0 DEADHO N=C(NCCCC[NH3+])Nc1cc(-c2cccc(Cl)c2)ncn1 ZINC001157099642 798143893 /nfs/dbraw/zinc/14/38/93/798143893.db2.gz RMDOXUJNIDTVEG-UHFFFAOYSA-N 1 3 318.812 2.472 20 0 DEADHO C[C@@H]1CCN(C(=O)[C@H]2CCC[C@H](c3ccccc3)N2)C[C@@H]1[NH3+] ZINC001157810748 798284327 /nfs/dbraw/zinc/28/43/27/798284327.db2.gz SZCPINNKQUWLBP-XLNGHYISSA-N 1 3 301.434 2.066 20 0 DEADHO C[NH+]1CCC(CN2CCN(c3cccc(C4CC4)n3)CC2)CC1 ZINC001157847980 798292473 /nfs/dbraw/zinc/29/24/73/798292473.db2.gz LLVOQQIUTAONOI-UHFFFAOYSA-N 1 3 314.477 2.423 20 0 DEADHO Cc1nc2ccsc2c(N2CCC([N@@H+]3CC[C@H](N)C3)CC2)n1 ZINC001158258320 798369274 /nfs/dbraw/zinc/36/92/74/798369274.db2.gz WDFKAGXECDIQJI-LBPRGKRZSA-N 1 3 317.462 2.002 20 0 DEADHO Cc1nc2ccsc2c(N2CCC([N@H+]3CC[C@H](N)C3)CC2)n1 ZINC001158258320 798369280 /nfs/dbraw/zinc/36/92/80/798369280.db2.gz WDFKAGXECDIQJI-LBPRGKRZSA-N 1 3 317.462 2.002 20 0 DEADHO CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001199788257 798538974 /nfs/dbraw/zinc/53/89/74/798538974.db2.gz NHEXHKSSKSBNSF-OSJSJHBBSA-N 1 3 307.482 2.408 20 0 DEADHO C[C@@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C)c1cccc(F)c1 ZINC001159932607 798628245 /nfs/dbraw/zinc/62/82/45/798628245.db2.gz SNLBFTZSOCORFM-CXAGYDPISA-N 1 3 321.440 2.323 20 0 DEADHO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ncc4c(n3)CCNC4)c2c1 ZINC001160004776 798639384 /nfs/dbraw/zinc/63/93/84/798639384.db2.gz WYKRXCWHIZUHDU-ZDUSSCGKSA-N 1 3 321.428 2.264 20 0 DEADHO CCC[C@@H](C)C[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001201541066 798766441 /nfs/dbraw/zinc/76/64/41/798766441.db2.gz BWXOSSXCZHJWMT-MRXNPFEDSA-N 1 3 319.493 2.247 20 0 DEADHO CCC[C@@H](C)C[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001201541066 798766443 /nfs/dbraw/zinc/76/64/43/798766443.db2.gz BWXOSSXCZHJWMT-MRXNPFEDSA-N 1 3 319.493 2.247 20 0 DEADHO C[C@@H](N)C(=O)N1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001161145765 798802165 /nfs/dbraw/zinc/80/21/65/798802165.db2.gz IWROOPSDJKBQDC-MRXNPFEDSA-N 1 3 315.461 2.238 20 0 DEADHO CC(C)[C@H](C(=O)N(Cc1ccccc1)C1CC[NH2+]CC1)N(C)C ZINC001161428119 798854618 /nfs/dbraw/zinc/85/46/18/798854618.db2.gz HCOPFKSUZPFEEJ-GOSISDBHSA-N 1 3 317.477 2.353 20 0 DEADHO Cc1ccccc1CCC(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001161443311 798860511 /nfs/dbraw/zinc/86/05/11/798860511.db2.gz PTURLSMKRQRWLV-SFHVURJKSA-N 1 3 317.477 2.070 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(C)C ZINC001110617047 798922764 /nfs/dbraw/zinc/92/27/64/798922764.db2.gz ZVUZCJSZTKZZLG-QXSJWSMHSA-N 1 3 313.461 2.044 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(C)C ZINC001110617047 798922771 /nfs/dbraw/zinc/92/27/71/798922771.db2.gz ZVUZCJSZTKZZLG-QXSJWSMHSA-N 1 3 313.461 2.044 20 0 DEADHO CC(C)N1CCN(c2ccc(NCCCC[NH+](C)C)cn2)CC1 ZINC001161731178 798924789 /nfs/dbraw/zinc/92/47/89/798924789.db2.gz UEFHOULTTCASNT-UHFFFAOYSA-N 1 3 319.497 2.366 20 0 DEADHO CC(C)=CC[N@H+]1CC=C(CCNC(=O)CN(C)C(C)C)CC1 ZINC001161947017 798975975 /nfs/dbraw/zinc/97/59/75/798975975.db2.gz RVDHTEOXGYSQQQ-UHFFFAOYSA-N 1 3 307.482 2.431 20 0 DEADHO CC(C)=CC[N@@H+]1CC=C(CCNC(=O)CN(C)C(C)C)CC1 ZINC001161947017 798975979 /nfs/dbraw/zinc/97/59/79/798975979.db2.gz RVDHTEOXGYSQQQ-UHFFFAOYSA-N 1 3 307.482 2.431 20 0 DEADHO CC(C)N(C)CC(=O)NCCC1=CC[N@H+](CC[C@H](C)F)CC1 ZINC001161946749 798976253 /nfs/dbraw/zinc/97/62/53/798976253.db2.gz AVRBQIXQZZZOCN-HNNXBMFYSA-N 1 3 313.461 2.213 20 0 DEADHO CC(C)N(C)CC(=O)NCCC1=CC[N@@H+](CC[C@H](C)F)CC1 ZINC001161946749 798976258 /nfs/dbraw/zinc/97/62/58/798976258.db2.gz AVRBQIXQZZZOCN-HNNXBMFYSA-N 1 3 313.461 2.213 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](Nc2cccc3cc([C@H]4CNCCO4)cn32)C1 ZINC001162403109 799078181 /nfs/dbraw/zinc/07/81/81/799078181.db2.gz XZFFOIDJWAUWDT-BFYDXBDKSA-N 1 3 314.433 2.282 20 0 DEADHO CCC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC001114411711 799094050 /nfs/dbraw/zinc/09/40/50/799094050.db2.gz JNCXWXWULBRKTD-UCCYTTEQSA-N 1 3 319.493 2.264 20 0 DEADHO CCC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC001114411711 799094059 /nfs/dbraw/zinc/09/40/59/799094059.db2.gz JNCXWXWULBRKTD-UCCYTTEQSA-N 1 3 319.493 2.264 20 0 DEADHO C[C@H](CNC(=O)CC[NH2+]CC1CC1)N(C)Cc1ccccc1 ZINC000717202208 799259911 /nfs/dbraw/zinc/25/99/11/799259911.db2.gz WOOZFBOXBYEFPZ-OAHLLOKOSA-N 1 3 303.450 2.013 20 0 DEADHO C[NH+](C)Cc1cccc(CNc2ccc3c(n2)OCCNC3)c1 ZINC001163994277 799475308 /nfs/dbraw/zinc/47/53/08/799475308.db2.gz YOIFYZXZPDROLI-UHFFFAOYSA-N 1 3 312.417 2.237 20 0 DEADHO CC[N@H+]([C@H]1CCOC1)C1CCN(c2cccc(N(C)C)n2)CC1 ZINC001165107578 799651894 /nfs/dbraw/zinc/65/18/94/799651894.db2.gz IRAACGBHLUHPPC-INIZCTEOSA-N 1 3 318.465 2.227 20 0 DEADHO CC[N@@H+]([C@H]1CCOC1)C1CCN(c2cccc(N(C)C)n2)CC1 ZINC001165107578 799651898 /nfs/dbraw/zinc/65/18/98/799651898.db2.gz IRAACGBHLUHPPC-INIZCTEOSA-N 1 3 318.465 2.227 20 0 DEADHO CN(C)Cc1ccnc(N2C[C@@H]3C[NH2+]C[C@]3(c3ccccc3)C2)c1 ZINC001165168092 799667186 /nfs/dbraw/zinc/66/71/86/799667186.db2.gz HPDNDWPFKPNNHD-AZUAARDMSA-N 1 3 322.456 2.121 20 0 DEADHO CN(Cc1ccc(N2CC[C@]3(C2)CCC[NH2+]C3)nc1)C1CC1 ZINC001165244967 799684520 /nfs/dbraw/zinc/68/45/20/799684520.db2.gz YYDQQPBLBFUCCU-GOSISDBHSA-N 1 3 300.450 2.256 20 0 DEADHO Cc1ccc(C)c(C[NH2+]CCCNC(=O)CN2CCC[C@@H]2C)c1 ZINC001166627048 799904572 /nfs/dbraw/zinc/90/45/72/799904572.db2.gz OSLVDFJIFJYGRU-KRWDZBQOSA-N 1 3 317.477 2.384 20 0 DEADHO C[C@H]([NH2+]CCCNC(=O)CN1CCC[C@H]1C)c1cccc(F)c1 ZINC001166645829 799909692 /nfs/dbraw/zinc/90/96/92/799909692.db2.gz VPIBDXDCUWAKAO-CABCVRRESA-N 1 3 321.440 2.467 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]Cc2ccc(Cl)cc2)C1 ZINC001166668009 799915867 /nfs/dbraw/zinc/91/58/67/799915867.db2.gz OAJFGULHWBENHV-CQSZACIVSA-N 1 3 323.868 2.278 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CCCc2ccsc2)C1 ZINC001166677838 799918074 /nfs/dbraw/zinc/91/80/74/799918074.db2.gz NZQIJAWFFKXJEY-OAHLLOKOSA-N 1 3 323.506 2.118 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001166676778 799918372 /nfs/dbraw/zinc/91/83/72/799918372.db2.gz CNSLXIRHNUHKDV-MRXNPFEDSA-N 1 3 321.509 2.395 20 0 DEADHO C[C@@H](F)CC[NH2+]CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001166687004 799922267 /nfs/dbraw/zinc/92/22/67/799922267.db2.gz GQLHBZHPYBTMFI-CZUORRHYSA-N 1 3 319.440 2.043 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]C/C=C/Cl)C12CCC2 ZINC001203792032 800124022 /nfs/dbraw/zinc/12/40/22/800124022.db2.gz MQHFMBCOSITMBG-QLNSKBQOSA-N 1 3 313.873 2.096 20 0 DEADHO COc1cc(CN2CCC(C[NH+](C)C)CC2)ccc1OC(C)=O ZINC001203833040 800130573 /nfs/dbraw/zinc/13/05/73/800130573.db2.gz RBZREYAQZNRBLC-UHFFFAOYSA-N 1 3 320.433 2.394 20 0 DEADHO Cc1c(F)cccc1CN1CC[C@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001204510451 800223437 /nfs/dbraw/zinc/22/34/37/800223437.db2.gz KBTJPFCMLXWOJU-ZWKOTPCHSA-N 1 3 305.441 2.344 20 0 DEADHO Cc1c(F)cccc1CN1CC[C@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001204510451 800223442 /nfs/dbraw/zinc/22/34/42/800223442.db2.gz KBTJPFCMLXWOJU-ZWKOTPCHSA-N 1 3 305.441 2.344 20 0 DEADHO COc1cc(CN2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)ccc1F ZINC001204560658 800229211 /nfs/dbraw/zinc/22/92/11/800229211.db2.gz XZVULBBNVVUVRE-DLBZAZTESA-N 1 3 321.440 2.045 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CCCC2CCC2)CC1 ZINC001204799258 800258866 /nfs/dbraw/zinc/25/88/66/800258866.db2.gz VDMRCSFVPIHDLS-GOSISDBHSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000934171905 800281705 /nfs/dbraw/zinc/28/17/05/800281705.db2.gz JPVOAPUZYRSZOK-KRWDZBQOSA-N 1 3 307.482 2.382 20 0 DEADHO COCCCOc1ccc(CN2CCC(C[NH3+])CC2)cc1OC ZINC001205046277 800290624 /nfs/dbraw/zinc/29/06/24/800290624.db2.gz AVIVZLMWCGNPSX-UHFFFAOYSA-N 1 3 322.449 2.281 20 0 DEADHO CC(C)=CC[NH2+]CC1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001205461592 800360061 /nfs/dbraw/zinc/36/00/61/800360061.db2.gz OESXHCDKMQGQIU-KRWDZBQOSA-N 1 3 307.482 2.121 20 0 DEADHO CC(C)=CC[NH2+]CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001205469713 800361516 /nfs/dbraw/zinc/36/15/16/800361516.db2.gz UWNXHZSYXYOPPW-UHFFFAOYSA-N 1 3 307.482 2.265 20 0 DEADHO C[C@H](F)CC[NH2+]CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001205469422 800361661 /nfs/dbraw/zinc/36/16/61/800361661.db2.gz CTNIPOIWIPNKBO-AWEZNQCLSA-N 1 3 313.461 2.047 20 0 DEADHO COC(=O)c1cc(F)cc(CN2CC[C@@H](C)[C@H](C[NH3+])CC2)c1 ZINC001205653695 800394498 /nfs/dbraw/zinc/39/44/98/800394498.db2.gz UKBSAVWPZTUSIB-OCCSQVGLSA-N 1 3 308.397 2.419 20 0 DEADHO COc1nc(OC)c(CN2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1C ZINC001205664572 800396673 /nfs/dbraw/zinc/39/66/73/800396673.db2.gz OGUDUSZHWBCXRQ-TZMCWYRMSA-N 1 3 307.438 2.214 20 0 DEADHO N[C@@H]1CC[N@H+](Cc2ccc(C(=O)N3CCCC3)cc2)CC[C@@H]1F ZINC001206165598 800482283 /nfs/dbraw/zinc/48/22/83/800482283.db2.gz ORKOJVOZZQNPGU-DLBZAZTESA-N 1 3 319.424 2.184 20 0 DEADHO N[C@@H]1CC[N@@H+](Cc2ccc(C(=O)N3CCCC3)cc2)CC[C@@H]1F ZINC001206165598 800482287 /nfs/dbraw/zinc/48/22/87/800482287.db2.gz ORKOJVOZZQNPGU-DLBZAZTESA-N 1 3 319.424 2.184 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC(C[NH2+]CC[C@H](C)F)CC1)N(C)C ZINC001206175804 800485313 /nfs/dbraw/zinc/48/53/13/800485313.db2.gz CLQNFIQEDPRGFY-GOEBONIOSA-N 1 3 315.477 2.149 20 0 DEADHO CC(C)=CC[NH2+]CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001206275131 800500212 /nfs/dbraw/zinc/50/02/12/800500212.db2.gz OCYSFERLXMPJNN-INIZCTEOSA-N 1 3 307.482 2.265 20 0 DEADHO CC[C@H](C)C[NH2+]CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001206275727 800501369 /nfs/dbraw/zinc/50/13/69/800501369.db2.gz ZMIMGDKHYVFGQV-HOTGVXAUSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)N(C)Cc1cnc2n1CCN(CC1CC[NH2+]CC1)[C@H]2C ZINC001207435383 800750747 /nfs/dbraw/zinc/75/07/47/800750747.db2.gz MZVJJKROOFUWSW-HNNXBMFYSA-N 1 3 319.497 2.100 20 0 DEADHO CC1(C[N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)COC1 ZINC001207799892 800837791 /nfs/dbraw/zinc/83/77/91/800837791.db2.gz HIEMNWPUYFFLPI-ZWKOTPCHSA-N 1 3 300.446 2.477 20 0 DEADHO CC1(C[N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)COC1 ZINC001207799892 800837800 /nfs/dbraw/zinc/83/78/00/800837800.db2.gz HIEMNWPUYFFLPI-ZWKOTPCHSA-N 1 3 300.446 2.477 20 0 DEADHO CC1(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)COC1 ZINC001207799892 800837805 /nfs/dbraw/zinc/83/78/05/800837805.db2.gz HIEMNWPUYFFLPI-ZWKOTPCHSA-N 1 3 300.446 2.477 20 0 DEADHO CC1(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)COC1 ZINC001207799892 800837810 /nfs/dbraw/zinc/83/78/10/800837810.db2.gz HIEMNWPUYFFLPI-ZWKOTPCHSA-N 1 3 300.446 2.477 20 0 DEADHO CCN1CC2(CC1=O)CCN(CC1(C[NH+](C)C)CCCC1)CC2 ZINC001208187889 800925515 /nfs/dbraw/zinc/92/55/15/800925515.db2.gz CRKXVOXSRBDCAX-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CC/C=C\CC[NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208328918 800956593 /nfs/dbraw/zinc/95/65/93/800956593.db2.gz KLEMFDQIUJEULT-KJPDOMRESA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)CCC[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001208334355 800957592 /nfs/dbraw/zinc/95/75/92/800957592.db2.gz IQVRULYLYNXWHE-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCCCCF)C1)N(C)C ZINC001208372986 800969089 /nfs/dbraw/zinc/96/90/89/800969089.db2.gz FWEYMDAQBJSHIM-CVEARBPZSA-N 1 3 315.477 2.293 20 0 DEADHO COC(=O)[C@H](C)C[N@@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC001208723146 801054788 /nfs/dbraw/zinc/05/47/88/801054788.db2.gz MKHKKZXGRNZJED-NXHRZFHOSA-N 1 3 316.445 2.249 20 0 DEADHO COC(=O)[C@H](C)C[N@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC001208723146 801054791 /nfs/dbraw/zinc/05/47/91/801054791.db2.gz MKHKKZXGRNZJED-NXHRZFHOSA-N 1 3 316.445 2.249 20 0 DEADHO CC(=O)N1CCC[N@H+](C[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001208947844 801100129 /nfs/dbraw/zinc/10/01/29/801100129.db2.gz MRRVJHNDUQLYNV-LJQANCHMSA-N 1 3 315.461 2.063 20 0 DEADHO CC(=O)N1CCC[N@@H+](C[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001208947844 801100132 /nfs/dbraw/zinc/10/01/32/801100132.db2.gz MRRVJHNDUQLYNV-LJQANCHMSA-N 1 3 315.461 2.063 20 0 DEADHO C[C@@H]1CO[C@@H]2CN(C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C[C@H]12 ZINC001208953466 801100579 /nfs/dbraw/zinc/10/05/79/801100579.db2.gz PFHHKJNLLXQACY-NXWXRZEISA-N 1 3 300.446 2.475 20 0 DEADHO C[C@@H]1CO[C@@H]2CN(C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@H]12 ZINC001208953466 801100582 /nfs/dbraw/zinc/10/05/82/801100582.db2.gz PFHHKJNLLXQACY-NXWXRZEISA-N 1 3 300.446 2.475 20 0 DEADHO C[NH+]1CCC2(CCN(Cc3cc4c(cn3)OCCC4)C2)CC1 ZINC001209508098 801203032 /nfs/dbraw/zinc/20/30/32/801203032.db2.gz DFBFHUAASNTQRM-UHFFFAOYSA-N 1 3 301.434 2.324 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCC[C@H]([NH2+]CCCF)C1 ZINC001210184252 801348848 /nfs/dbraw/zinc/34/88/48/801348848.db2.gz VZGCLMCQZABGRS-INIZCTEOSA-N 1 3 315.477 2.439 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCC[C@H]([NH2+]CCF)C1 ZINC001210183900 801348921 /nfs/dbraw/zinc/34/89/21/801348921.db2.gz TXQSSHUIHNWIKI-HNNXBMFYSA-N 1 3 301.450 2.049 20 0 DEADHO O=C(CCC[NH+]1CCCCC1)N[C@@H]1CCCC[C@H]1NCCF ZINC001230171936 801366938 /nfs/dbraw/zinc/36/69/38/801366938.db2.gz OGGVAHNMNRKSID-HZPDHXFCSA-N 1 3 313.461 2.239 20 0 DEADHO CC1CCN(CC(=O)N2CCC[C@H]([NH2+]C/C=C/Cl)C2)CC1 ZINC001210282413 801368456 /nfs/dbraw/zinc/36/84/56/801368456.db2.gz GDMOTPUYLFQFRX-MIOHMZDASA-N 1 3 313.873 2.051 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(F)(F)F ZINC001230284960 801382132 /nfs/dbraw/zinc/38/21/32/801382132.db2.gz ZCXYTXIXQXYDHN-CHWSQXEVSA-N 1 3 323.403 2.296 20 0 DEADHO CC(C)N(C)CC(=O)NC1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001230367072 801393547 /nfs/dbraw/zinc/39/35/47/801393547.db2.gz PXORQDFMUGPAAN-ZACQAIPSSA-N 1 3 321.509 2.343 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](NCC=C(Cl)Cl)C1 ZINC001210493248 801412507 /nfs/dbraw/zinc/41/25/07/801412507.db2.gz KFSQBMDOSLOSBN-GFCCVEGCSA-N 1 3 322.280 2.228 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](NCC=C(Cl)Cl)C1 ZINC001210493248 801412512 /nfs/dbraw/zinc/41/25/12/801412512.db2.gz KFSQBMDOSLOSBN-GFCCVEGCSA-N 1 3 322.280 2.228 20 0 DEADHO CCN(CC)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CC2)CC1 ZINC001230611596 801436511 /nfs/dbraw/zinc/43/65/11/801436511.db2.gz VFKDEGXHWGSNDE-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CCN(CC)CC(=O)N1CCC([C@H]2CCC[N@H+]2CC2CC2)CC1 ZINC001230611596 801436516 /nfs/dbraw/zinc/43/65/16/801436516.db2.gz VFKDEGXHWGSNDE-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001210812022 801468366 /nfs/dbraw/zinc/46/83/66/801468366.db2.gz SSHLYXKAQKNMFF-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)nc2)CCC1(F)F ZINC001232360683 801860346 /nfs/dbraw/zinc/86/03/46/801860346.db2.gz LNJUWAMBCMAGBL-AWEZNQCLSA-N 1 3 324.419 2.311 20 0 DEADHO C[C@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)nc2)CCC1(F)F ZINC001232360683 801860350 /nfs/dbraw/zinc/86/03/50/801860350.db2.gz LNJUWAMBCMAGBL-AWEZNQCLSA-N 1 3 324.419 2.311 20 0 DEADHO CC(C)CCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001215536378 801872781 /nfs/dbraw/zinc/87/27/81/801872781.db2.gz OZIQSRVUFLKCJF-IXDOHACOSA-N 1 3 309.498 2.343 20 0 DEADHO CC1CC(C[NH2+][C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C)C1 ZINC001215567676 801877403 /nfs/dbraw/zinc/87/74/03/801877403.db2.gz DEONUFLVMPFYOT-MNAZLIDISA-N 1 3 323.525 2.447 20 0 DEADHO C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001215568005 801877660 /nfs/dbraw/zinc/87/76/60/801877660.db2.gz JTZJJYPRCWBXOY-RBSFLKMASA-N 1 3 315.477 2.149 20 0 DEADHO COC(=O)/C=C/c1ccc(C[NH+]2CCC3(CN(C)C3)CC2)cc1 ZINC001233299628 802071681 /nfs/dbraw/zinc/07/16/81/802071681.db2.gz HVYVVYUOMGIUQM-BQYQJAHWSA-N 1 3 314.429 2.400 20 0 DEADHO c1ccc2c(c1)CNC[C@H]2OC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001217941820 802121284 /nfs/dbraw/zinc/12/12/84/802121284.db2.gz TVKAYRKFTAGJCV-DOTOQJQBSA-N 1 3 302.418 2.006 20 0 DEADHO c1ccc2c(c1)CNC[C@H]2Oc1cccc(N2CC[NH2+]CC2)c1 ZINC001218491029 802190205 /nfs/dbraw/zinc/19/02/05/802190205.db2.gz TYQYEMUOEKODDS-LJQANCHMSA-N 1 3 309.413 2.320 20 0 DEADHO CC(C)C1(C(=O)Nc2cc([C@@H]3CCCN3)no2)CC[NH2+]CC1 ZINC001218710958 802230101 /nfs/dbraw/zinc/23/01/01/802230101.db2.gz IXXOARJPXHVXTC-LBPRGKRZSA-N 1 3 306.410 2.063 20 0 DEADHO CC(C)[C@H](N)C(=O)Nc1cc(F)ccc1OCC1CC[NH2+]CC1 ZINC001219130739 802288703 /nfs/dbraw/zinc/28/87/03/802288703.db2.gz UMYRFQLFKMKZKK-INIZCTEOSA-N 1 3 323.412 2.126 20 0 DEADHO C[C@@H](N)C(=O)Nc1ccc2c(c1)CC[C@@H]([NH+]1CCCC1)CC2 ZINC001219487115 802337483 /nfs/dbraw/zinc/33/74/83/802337483.db2.gz YWXLOQRRQUPEHY-DYVFJYSZSA-N 1 3 301.434 2.316 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)N1CCCCC1 ZINC001234346325 802357759 /nfs/dbraw/zinc/35/77/59/802357759.db2.gz SOFIEICMTLQMNE-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)N1CCCCC1 ZINC001234346325 802357767 /nfs/dbraw/zinc/35/77/67/802357767.db2.gz SOFIEICMTLQMNE-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CN1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001234346325 802357773 /nfs/dbraw/zinc/35/77/73/802357773.db2.gz SOFIEICMTLQMNE-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO O=C(NCc1cccc(C(F)F)c1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219739087 802373916 /nfs/dbraw/zinc/37/39/16/802373916.db2.gz GYXNTTMWISYJNU-AWEZNQCLSA-N 1 3 323.387 2.115 20 0 DEADHO O=C(NCc1cccc(C(F)F)c1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219739087 802373924 /nfs/dbraw/zinc/37/39/24/802373924.db2.gz GYXNTTMWISYJNU-AWEZNQCLSA-N 1 3 323.387 2.115 20 0 DEADHO C[C@H]1CC[NH2+][C@H](C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC001221063288 802526074 /nfs/dbraw/zinc/52/60/74/802526074.db2.gz QSLWOBYTYGTGBC-SZMVWBNQSA-N 1 3 315.461 2.155 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC001221162310 802533213 /nfs/dbraw/zinc/53/32/13/802533213.db2.gz RMZPNFDYZPQJHA-KGLIPLIRSA-N 1 3 319.440 2.424 20 0 DEADHO CCCC(C[NH3+])(CCC)NC(=O)[C@@H](NC)[C@@H](C)OC(C)(C)C ZINC001221371654 802561126 /nfs/dbraw/zinc/56/11/26/802561126.db2.gz GSLYJCAMGUNGAV-KGLIPLIRSA-N 1 3 315.502 2.192 20 0 DEADHO CC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001221631433 802598203 /nfs/dbraw/zinc/59/82/03/802598203.db2.gz PPGNNKAKNBIJQZ-WFJGZTCRSA-N 1 3 321.509 2.462 20 0 DEADHO CC/C=C/CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001221631433 802598207 /nfs/dbraw/zinc/59/82/07/802598207.db2.gz PPGNNKAKNBIJQZ-WFJGZTCRSA-N 1 3 321.509 2.462 20 0 DEADHO CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N(C)CC)[C@@H]2C1 ZINC001221654345 802599724 /nfs/dbraw/zinc/59/97/24/802599724.db2.gz GIPAZGXOEKYPJX-HZPDHXFCSA-N 1 3 309.498 2.440 20 0 DEADHO CCCCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N(C)CC)[C@@H]2C1 ZINC001221654345 802599729 /nfs/dbraw/zinc/59/97/29/802599729.db2.gz GIPAZGXOEKYPJX-HZPDHXFCSA-N 1 3 309.498 2.440 20 0 DEADHO N[C@H]1NC(CN2CCCC3(CCCC[NH2+]C3)CCC2)=CS1 ZINC001222109209 802644548 /nfs/dbraw/zinc/64/45/48/802644548.db2.gz BTNMEVVRKXTJBU-HNNXBMFYSA-N 1 3 310.511 2.042 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1CC[NH+](CCC2CC2)CC1)N(C)C ZINC001223525031 802798362 /nfs/dbraw/zinc/79/83/62/802798362.db2.gz OSHBFNRZARZIKD-KRWDZBQOSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@H](C(=O)NCC1CC[NH+](Cc2ccsc2)CC1)N(C)C ZINC001223597915 802802424 /nfs/dbraw/zinc/80/24/24/802802424.db2.gz RGKCVTNTMURUPH-MRXNPFEDSA-N 1 3 323.506 2.417 20 0 DEADHO CC(C)[NH+]1CCC(CNC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001224738739 802899473 /nfs/dbraw/zinc/89/94/73/802899473.db2.gz CTOALXKQVJVUAE-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](F)CN1CCC(CNC(=O)CCCC[NH+](C)C)CC1 ZINC001225207248 802943314 /nfs/dbraw/zinc/94/33/14/802943314.db2.gz ONXZLWRVHZMZHP-INIZCTEOSA-N 1 3 315.477 2.295 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1CC[NH+](CCCF)CC1 ZINC001225541332 802979287 /nfs/dbraw/zinc/97/92/87/802979287.db2.gz AAYPVNRWTVQLJV-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)C[NH+]1CCC(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001225542162 802979677 /nfs/dbraw/zinc/97/96/77/802979677.db2.gz IXPQLJRCYNPKBF-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1ccc(CN2CCC[C@H](NC(=O)CC[NH+](C)C)C2)c(C)c1 ZINC001369843565 1149267489 /nfs/dbraw/zinc/26/74/89/1149267489.db2.gz MSTCMKHOHNMOFY-SFHVURJKSA-N 1 3 317.477 2.336 20 0 DEADHO CC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc1cccc(F)c1)N(C)C ZINC001419207805 1168314570 /nfs/dbraw/zinc/31/45/70/1168314570.db2.gz GIMTYBOWVPSQRC-JKSUJKDBSA-N 1 3 309.429 2.150 20 0 DEADHO C[C@H](NC(=O)C(C)(C)N1CCCC1)[C@H](C)[NH2+]C/C=C/Cl ZINC001368859213 1148724140 /nfs/dbraw/zinc/72/41/40/1148724140.db2.gz DDOLBXIFKYEARM-FVWNJDPFSA-N 1 3 301.862 2.096 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1)N(C)C ZINC001368350229 1148421778 /nfs/dbraw/zinc/42/17/78/1148421778.db2.gz ZRXTULLCVBDHQT-XMTFNYHQSA-N 1 3 321.509 2.486 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1)N(C)C ZINC001368350229 1148421780 /nfs/dbraw/zinc/42/17/80/1148421780.db2.gz ZRXTULLCVBDHQT-XMTFNYHQSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@@H]12 ZINC001575139904 1069376133 /nfs/dbraw/zinc/37/61/33/1069376133.db2.gz OLWORPYRSXURBA-ZJIFWQFVSA-N 1 3 307.482 2.144 20 0 DEADHO CCOC(=O)c1cc(CNCCCC[N@@H+]2CCC[C@H](C)C2)[nH]n1 ZINC001328511595 1148804413 /nfs/dbraw/zinc/80/44/13/1148804413.db2.gz KWFFSDRBISESDF-AWEZNQCLSA-N 1 3 322.453 2.188 20 0 DEADHO CCOC(=O)c1cc(CNCCCC[N@H+]2CCC[C@H](C)C2)[nH]n1 ZINC001328511595 1148804414 /nfs/dbraw/zinc/80/44/14/1148804414.db2.gz KWFFSDRBISESDF-AWEZNQCLSA-N 1 3 322.453 2.188 20 0 DEADHO CC(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001368497885 1148468373 /nfs/dbraw/zinc/46/83/73/1148468373.db2.gz LAGVWCRJPSHUBA-IYBDPMFKSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H](NCC=C(Cl)Cl)[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001368889446 1148749401 /nfs/dbraw/zinc/74/94/01/1148749401.db2.gz XASWYCCONUNZRP-GHMZBOCLSA-N 1 3 310.269 2.130 20 0 DEADHO CC/C=C\CC[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001328796699 1148836689 /nfs/dbraw/zinc/83/66/89/1148836689.db2.gz JQGXLHHGTAUPLD-CHYADLBTSA-N 1 3 307.482 2.361 20 0 DEADHO CC/C=C\CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001328796699 1148836691 /nfs/dbraw/zinc/83/66/91/1148836691.db2.gz JQGXLHHGTAUPLD-CHYADLBTSA-N 1 3 307.482 2.361 20 0 DEADHO CC(C)C[NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C1CCCC1 ZINC001500095348 1058487135 /nfs/dbraw/zinc/48/71/35/1058487135.db2.gz KKGJYUKZWPMORL-INIZCTEOSA-N 1 3 309.498 2.391 20 0 DEADHO CN(CC(=O)N1CC2(C1)CCC[N@H+](CC1CC1)C2)CC(C)(C)C ZINC001369152166 1148856993 /nfs/dbraw/zinc/85/69/93/1148856993.db2.gz MDDVDFFVVULFJO-UHFFFAOYSA-N 1 3 321.509 2.299 20 0 DEADHO CN(CC(=O)N1CC2(C1)CCC[N@@H+](CC1CC1)C2)CC(C)(C)C ZINC001369152166 1148856994 /nfs/dbraw/zinc/85/69/94/1148856994.db2.gz MDDVDFFVVULFJO-UHFFFAOYSA-N 1 3 321.509 2.299 20 0 DEADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNCc1ccncc1 ZINC001461382411 1058649665 /nfs/dbraw/zinc/64/96/65/1058649665.db2.gz WPNNULBBJXALGD-IBGZPJMESA-N 1 3 311.429 2.328 20 0 DEADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNCc1ccncc1 ZINC001461382411 1058649672 /nfs/dbraw/zinc/64/96/72/1058649672.db2.gz WPNNULBBJXALGD-IBGZPJMESA-N 1 3 311.429 2.328 20 0 DEADHO c1ccc2c(c1)CO[C@H]2CNC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001462660287 1058876034 /nfs/dbraw/zinc/87/60/34/1058876034.db2.gz JEBJMIANWYHTLM-HKUYNNGSSA-N 1 3 316.445 2.491 20 0 DEADHO CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001501153146 1059332600 /nfs/dbraw/zinc/33/26/00/1059332600.db2.gz LCKORQZCJRQWTH-PRJTXATQSA-N 1 3 309.498 2.367 20 0 DEADHO CN(C)CCN(Cc1ccco1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001465793713 1059365366 /nfs/dbraw/zinc/36/53/66/1059365366.db2.gz ZALNVENRCPYTIA-JKSUJKDBSA-N 1 3 321.465 2.290 20 0 DEADHO CC(C)CCC[N@H+]1C[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C1 ZINC001501230110 1059394745 /nfs/dbraw/zinc/39/47/45/1059394745.db2.gz SSKTXHOCAQDIDR-OKZBNKHCSA-N 1 3 321.509 2.155 20 0 DEADHO CC(C)CCC[N@@H+]1C[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C1 ZINC001501230110 1059394767 /nfs/dbraw/zinc/39/47/67/1059394767.db2.gz SSKTXHOCAQDIDR-OKZBNKHCSA-N 1 3 321.509 2.155 20 0 DEADHO CC[NH2+][C@@H](C)c1ccc(CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001501679958 1059632937 /nfs/dbraw/zinc/63/29/37/1059632937.db2.gz WFNAUKBVDSDRAN-GJZGRUSLSA-N 1 3 303.450 2.315 20 0 DEADHO CC[C@@H](F)CN1CCC2(CN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001501742327 1059679135 /nfs/dbraw/zinc/67/91/35/1059679135.db2.gz WWJQPCARAZJRNR-OAHLLOKOSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@H](CC[NH+](C)C)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC001468856320 1059861664 /nfs/dbraw/zinc/86/16/64/1059861664.db2.gz GFJSSARWXCQTSL-CQSZACIVSA-N 1 3 311.495 2.226 20 0 DEADHO CC(C)c1cccc(CN[C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001505686594 1060867579 /nfs/dbraw/zinc/86/75/79/1060867579.db2.gz RIENTUSCQMABPV-LSDHHAIUSA-N 1 3 320.481 2.140 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001505734042 1060911834 /nfs/dbraw/zinc/91/18/34/1060911834.db2.gz BYHROQWYTHVXTE-KGLIPLIRSA-N 1 3 309.429 2.150 20 0 DEADHO CC[C@@H](F)C[NH2+]C1CCC(N(C)C(=O)CN(C)C(C)C)CC1 ZINC001505792050 1060969649 /nfs/dbraw/zinc/96/96/49/1060969649.db2.gz UXSNVUNFOMBBOM-QQFBHYJXSA-N 1 3 315.477 2.434 20 0 DEADHO CCC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)N(C)C ZINC001480394795 1062789998 /nfs/dbraw/zinc/78/99/98/1062789998.db2.gz LPCSXSPWFDIMSN-MXZUCHRNSA-N 1 3 307.482 2.119 20 0 DEADHO CCC/C=C\CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)N(C)C ZINC001480394795 1062790020 /nfs/dbraw/zinc/79/00/20/1062790020.db2.gz LPCSXSPWFDIMSN-MXZUCHRNSA-N 1 3 307.482 2.119 20 0 DEADHO Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)CN2CC[C@@H](C)C2)cs1 ZINC001507127374 1062881943 /nfs/dbraw/zinc/88/19/43/1062881943.db2.gz PFDYXCFUEWRASK-ZIAGYGMSSA-N 1 3 323.506 2.335 20 0 DEADHO C[C@@H]1[C@H]([NH2+]CCCC2CCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001507288665 1063038335 /nfs/dbraw/zinc/03/83/35/1063038335.db2.gz MXYAXUYVAPSAHJ-CZUORRHYSA-N 1 3 304.438 2.112 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]C/C=C/Cl)CN1C(=O)CN(C)CC(C)(C)C ZINC001507328456 1063100814 /nfs/dbraw/zinc/10/08/14/1063100814.db2.gz VPEOAWFBCNPUNL-JLVOYYQZSA-N 1 3 315.889 2.296 20 0 DEADHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001480679589 1063179233 /nfs/dbraw/zinc/17/92/33/1063179233.db2.gz PHRXSUXELWFQOA-QGZVFWFLSA-N 1 3 307.482 2.101 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001480684071 1063181204 /nfs/dbraw/zinc/18/12/04/1063181204.db2.gz WXHJPFCNAAYCNA-INIZCTEOSA-N 1 3 321.440 2.104 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@H]1CCC[C@H](NCc2nccs2)C1 ZINC001480697657 1063204209 /nfs/dbraw/zinc/20/42/09/1063204209.db2.gz HEGVWHGGRPHJLP-KBPBESRZSA-N 1 3 324.494 2.002 20 0 DEADHO CC[NH2+]CCc1ccc(CNC(=O)CN2[C@H](C)CC[C@@H]2C)cc1 ZINC001480716396 1063235801 /nfs/dbraw/zinc/23/58/01/1063235801.db2.gz JFTDFNPCZXFAIP-IYBDPMFKSA-N 1 3 317.477 2.328 20 0 DEADHO C[C@H](C(=O)NC[C@@H]1CC[N@H+](CC2CC2)C1)N1CCCCCC1 ZINC001493240943 1063665003 /nfs/dbraw/zinc/66/50/03/1063665003.db2.gz PQVONJZOCXIJSD-WBVHZDCISA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCCCCC1 ZINC001493240943 1063665008 /nfs/dbraw/zinc/66/50/08/1063665008.db2.gz PQVONJZOCXIJSD-WBVHZDCISA-N 1 3 307.482 2.099 20 0 DEADHO CC1CCN(CC(=O)N(C)CC[NH2+]CCCC2CCC2)CC1 ZINC001567580106 1064261166 /nfs/dbraw/zinc/26/11/66/1064261166.db2.gz KUIAXDLYWQYUJZ-UHFFFAOYSA-N 1 3 309.498 2.347 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCF)CC1 ZINC001568106143 1064649747 /nfs/dbraw/zinc/64/97/47/1064649747.db2.gz MFHXZNSMTKTAGU-JYJNAYRXSA-N 1 3 313.461 2.237 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)C[NH2+]C/C=C/Cl ZINC001568171965 1064681713 /nfs/dbraw/zinc/68/17/13/1064681713.db2.gz LFQJHIIFWGDNHG-HSBSLETESA-N 1 3 315.889 2.345 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CC[NH2+]Cc1ccc(F)cc1 ZINC001568703269 1065064039 /nfs/dbraw/zinc/06/40/39/1065064039.db2.gz KEDBTZZEONNLDF-GFCCVEGCSA-N 1 3 318.396 2.084 20 0 DEADHO Cc1ccccc1C[NH2+]C/C=C/CNC(=O)CN(C)C1CCC1 ZINC001568863270 1065164876 /nfs/dbraw/zinc/16/48/76/1065164876.db2.gz DXGVQLKKUQSOSV-AATRIKPKSA-N 1 3 315.461 2.241 20 0 DEADHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@H]1CCc2ccccc21 ZINC001568898404 1065179268 /nfs/dbraw/zinc/17/92/68/1065179268.db2.gz LOKWBMKDWNJSKO-JTDRTSHGSA-N 1 3 313.445 2.030 20 0 DEADHO CN(CC(=O)NC/C=C\C[NH2+]Cc1ccccc1)CC(C)(C)C ZINC001568920182 1065191923 /nfs/dbraw/zinc/19/19/23/1065191923.db2.gz QEVBZCQTLMMXAG-HJWRWDBZSA-N 1 3 317.477 2.427 20 0 DEADHO Cc1cc(CNC/C=C\CNC(=O)C[N@H+]2CC[C@H](C)C2)cs1 ZINC001568919813 1065192114 /nfs/dbraw/zinc/19/21/14/1065192114.db2.gz JPBOLCYWRMVZHX-NQHOJNORSA-N 1 3 321.490 2.160 20 0 DEADHO Cc1cc(CNC/C=C\CNC(=O)C[N@@H+]2CC[C@H](C)C2)cs1 ZINC001568919813 1065192119 /nfs/dbraw/zinc/19/21/19/1065192119.db2.gz JPBOLCYWRMVZHX-NQHOJNORSA-N 1 3 321.490 2.160 20 0 DEADHO C[C@@H]([NH2+]CCCN(C)C(=O)CN1CCCC1)c1ccccc1 ZINC001569266590 1065402967 /nfs/dbraw/zinc/40/29/67/1065402967.db2.gz CLLMDDTWEABKLI-MRXNPFEDSA-N 1 3 303.450 2.282 20 0 DEADHO CC(C)(C(=O)N[C@@H](C[NH2+]C/C=C/Cl)C1CC1)N1CCCC1 ZINC001569314153 1065423925 /nfs/dbraw/zinc/42/39/25/1065423925.db2.gz ANULOWLCINQXGA-GPAKFWEMSA-N 1 3 313.873 2.098 20 0 DEADHO C[NH+](C)CCCCC(=O)NC[C@@H]1CCN1CC1CC2(CCC2)C1 ZINC001569381573 1065475992 /nfs/dbraw/zinc/47/59/92/1065475992.db2.gz SWYFOWKXQCCWMZ-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]C/C=C\Cl ZINC001496488157 1065505912 /nfs/dbraw/zinc/50/59/12/1065505912.db2.gz ONYJWAZUADONPT-MSSSOJMCSA-N 1 3 315.889 2.297 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C[NH2+]C/C=C\Cl)C1CCCC1)N(C)C ZINC001569611094 1065622093 /nfs/dbraw/zinc/62/20/93/1065622093.db2.gz QBANGNJWBJGCHD-FZXWVIKQSA-N 1 3 315.889 2.344 20 0 DEADHO CN(C)C1(C(=O)N(C)CC[N@H+](C)CC2=CCCCC2)CCC1 ZINC001496717402 1065669460 /nfs/dbraw/zinc/66/94/60/1065669460.db2.gz RTRJLLZANBZPFO-UHFFFAOYSA-N 1 3 307.482 2.361 20 0 DEADHO CN(C)C1(C(=O)N(C)CC[N@@H+](C)CC2=CCCCC2)CCC1 ZINC001496717402 1065669463 /nfs/dbraw/zinc/66/94/63/1065669463.db2.gz RTRJLLZANBZPFO-UHFFFAOYSA-N 1 3 307.482 2.361 20 0 DEADHO C[C@H](CC[NH2+]CCc1cccs1)NC(=O)C1(N(C)C)CCC1 ZINC001497204824 1065960527 /nfs/dbraw/zinc/96/05/27/1065960527.db2.gz GLJIWRMRLPSZHK-CQSZACIVSA-N 1 3 323.506 2.259 20 0 DEADHO CC(C)(CNC(=O)[C@H]1CNCc2ccccc21)[NH+]1CCCCC1 ZINC001575319462 1066263844 /nfs/dbraw/zinc/26/38/44/1066263844.db2.gz BIXUOZCBRXBUDF-KRWDZBQOSA-N 1 3 315.461 2.254 20 0 DEADHO CC(C)[C@H](C[NH3+])CN[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC001575428646 1066299679 /nfs/dbraw/zinc/29/96/79/1066299679.db2.gz JBGATEHVPWUQLJ-CHWSQXEVSA-N 1 3 323.403 2.140 20 0 DEADHO CC(C)[C@H](CN)C[NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC001575428646 1066299691 /nfs/dbraw/zinc/29/96/91/1066299691.db2.gz JBGATEHVPWUQLJ-CHWSQXEVSA-N 1 3 323.403 2.140 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@@H](C[NH2+]CC1CCCC1)C1CC1)N(C)C ZINC001369220036 1148872613 /nfs/dbraw/zinc/87/26/13/1148872613.db2.gz YTFHSGIEAMYAFU-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@H](C)c1ccc(F)cc1)N(C)C ZINC001497836518 1066354364 /nfs/dbraw/zinc/35/43/64/1066354364.db2.gz ZSKUEMIRBRCBSP-XJKCOSOUSA-N 1 3 309.429 2.321 20 0 DEADHO CC(C)Cc1ccc([C@@H](CNC(=O)C[NH2+]C2CC2)N(C)C)cc1 ZINC001575648186 1066389428 /nfs/dbraw/zinc/38/94/28/1066389428.db2.gz IIYNKOBOCBPWSE-GOSISDBHSA-N 1 3 317.477 2.356 20 0 DEADHO CC(C)Oc1ccc([C@H](CNC(=O)CC(C)(C)[NH3+])N(C)C)cc1 ZINC001575807744 1066436118 /nfs/dbraw/zinc/43/61/18/1066436118.db2.gz ZFFBMZQOUYXWGQ-INIZCTEOSA-N 1 3 321.465 2.320 20 0 DEADHO C[C@H](CCCc1cccnc1)NCc1cc(C2C[NH2+]C2)no1 ZINC001575953423 1066465769 /nfs/dbraw/zinc/46/57/69/1066465769.db2.gz LARGMPLGMUCCJU-CYBMUJFWSA-N 1 3 300.406 2.257 20 0 DEADHO C[C@H](CCN)[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001575962043 1066467140 /nfs/dbraw/zinc/46/71/40/1066467140.db2.gz JVZFLRAYYQLTEQ-KBUPBQIOSA-N 1 3 311.470 2.349 20 0 DEADHO C[C@@H](COc1ccccc1)NCc1ccc(N2CC[NH2+]CC2)o1 ZINC001576046880 1066481975 /nfs/dbraw/zinc/48/19/75/1066481975.db2.gz WVVNCEBORRRJGD-HNNXBMFYSA-N 1 3 315.417 2.246 20 0 DEADHO C[C@@H](N)[C@H]1CCCC[N@@H+]1C[C@@H](O)CCOCc1ccccc1 ZINC001576116831 1066497080 /nfs/dbraw/zinc/49/70/80/1066497080.db2.gz AVJSOVJSHZRHFW-BPQIPLTHSA-N 1 3 306.450 2.156 20 0 DEADHO C[C@@H](N)[C@H]1CCCC[N@H+]1C[C@@H](O)CCOCc1ccccc1 ZINC001576116831 1066497083 /nfs/dbraw/zinc/49/70/83/1066497083.db2.gz AVJSOVJSHZRHFW-BPQIPLTHSA-N 1 3 306.450 2.156 20 0 DEADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1C[C@@H](O)CC[C@H](O)c1ccccc1 ZINC001576117139 1066497509 /nfs/dbraw/zinc/49/75/09/1066497509.db2.gz IBDGDZTYKHAUEP-DKIMLUQUSA-N 1 3 306.450 2.063 20 0 DEADHO C[C@H](N)[C@@H]1CCCC[N@H+]1C[C@@H](O)CC[C@H](O)c1ccccc1 ZINC001576117139 1066497513 /nfs/dbraw/zinc/49/75/13/1066497513.db2.gz IBDGDZTYKHAUEP-DKIMLUQUSA-N 1 3 306.450 2.063 20 0 DEADHO C[C@@H]1CCN(C[C@H]2CC[NH2+]C2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001576729272 1066673010 /nfs/dbraw/zinc/67/30/10/1066673010.db2.gz IWYZLNXBDLXNEU-QLFBSQMISA-N 1 3 311.470 2.079 20 0 DEADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)N(CCc1ccccc1)CCN(C)C ZINC001577303658 1066810394 /nfs/dbraw/zinc/81/03/94/1066810394.db2.gz FDVIJCAIYQALTL-QZTJIDSGSA-N 1 3 317.477 2.007 20 0 DEADHO CCCN(C)[C@@H](CNC(=O)[C@H]1C[C@H]1C[NH3+])c1ccc(Cl)cc1 ZINC001577495639 1066859909 /nfs/dbraw/zinc/85/99/09/1066859909.db2.gz UDZCKPQIPYHMQM-BPUTZDHNSA-N 1 3 323.868 2.434 20 0 DEADHO CCOC(=O)N1CCC[C@H]([C@@H](C)N[C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC001577991203 1066960778 /nfs/dbraw/zinc/96/07/78/1066960778.db2.gz KANLUOXWRYZRGA-FXUDXRNXSA-N 1 3 311.470 2.364 20 0 DEADHO CN(C)c1cc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)ccn1 ZINC001578422604 1067093613 /nfs/dbraw/zinc/09/36/13/1067093613.db2.gz AUQMTUYKPNKRFM-KRWDZBQOSA-N 1 3 302.466 2.359 20 0 DEADHO C[NH2+][C@@H](CNC(=O)C(C)(C)N1CCCCC1)Cc1ccccc1 ZINC001578590287 1067136448 /nfs/dbraw/zinc/13/64/48/1067136448.db2.gz SJGCNHIYEOUYDX-QGZVFWFLSA-N 1 3 317.477 2.198 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001266989993 1078484980 /nfs/dbraw/zinc/48/49/80/1078484980.db2.gz LEJCZMXWHMBFFL-ZDUSSCGKSA-N 1 3 304.438 2.245 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]Cc2ccccc2)CC1 ZINC001499462064 1067228980 /nfs/dbraw/zinc/22/89/80/1067228980.db2.gz XMHOQULWYHWJOB-HOTGVXAUSA-N 1 3 315.461 2.298 20 0 DEADHO Cc1cc([C@@H]2CCCCN2C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)n[nH]1 ZINC001579590756 1067377903 /nfs/dbraw/zinc/37/79/03/1067377903.db2.gz RRTLQQNTOULIKK-HYVNUMGLSA-N 1 3 304.438 2.014 20 0 DEADHO Cc1cccc(CN(CCN(C)C)C(=O)CC[NH2+]CC2CC2)c1 ZINC001579761722 1067418939 /nfs/dbraw/zinc/41/89/39/1067418939.db2.gz RSPBFPVPLIDMCW-UHFFFAOYSA-N 1 3 317.477 2.275 20 0 DEADHO [NH3+]CC1(CCNC(=O)c2ccc(NC3=NCCC3)cc2)CC1 ZINC001580244033 1067536688 /nfs/dbraw/zinc/53/66/88/1067536688.db2.gz JDNLUQUPBFSBJZ-UHFFFAOYSA-N 1 3 300.406 2.150 20 0 DEADHO NC[C@@]12C[N@H+](C[C@H]3CCC4(CCOCC4)CO3)C[C@@H]1CCCC2 ZINC001580255110 1067543430 /nfs/dbraw/zinc/54/34/30/1067543430.db2.gz GTMMQLDGKWIJNO-SCTDSRPQSA-N 1 3 322.493 2.413 20 0 DEADHO NC[C@@]12C[N@@H+](C[C@H]3CCC4(CCOCC4)CO3)C[C@@H]1CCCC2 ZINC001580255110 1067543436 /nfs/dbraw/zinc/54/34/36/1067543436.db2.gz GTMMQLDGKWIJNO-SCTDSRPQSA-N 1 3 322.493 2.413 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001571198038 1068191989 /nfs/dbraw/zinc/19/19/89/1068191989.db2.gz UVQYFFZFGMJNPE-SQXMTGCHSA-N 1 3 313.873 2.096 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]C/C=C/Cl ZINC001268098527 1080070293 /nfs/dbraw/zinc/07/02/93/1080070293.db2.gz SYKXVXFNUXFLPS-LUIPGBGBSA-N 1 3 301.862 2.050 20 0 DEADHO CC[C@@H]1CN(C(=O)C2C[NH+](C3CCCCC3)C2)[C@H](CC)CN1 ZINC001573721511 1069082002 /nfs/dbraw/zinc/08/20/02/1069082002.db2.gz ZGPSQCLFVIQLMC-HZPDHXFCSA-N 1 3 307.482 2.240 20 0 DEADHO CC[C@H](C(=O)N(C)CC[NH2+]Cc1cc(C)sc1C)N(C)C ZINC001267456551 1078864781 /nfs/dbraw/zinc/86/47/81/1078864781.db2.gz AXSWPIBVOQBHDG-OAHLLOKOSA-N 1 3 311.495 2.253 20 0 DEADHO CCC[C@@H](C)CN1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001272429772 1078869285 /nfs/dbraw/zinc/86/92/85/1078869285.db2.gz FZGIAUOAKFQCJO-AEFFLSMTSA-N 1 3 309.498 2.441 20 0 DEADHO Cc1ccc(CCC[NH2+]CCN(C)C(=O)CN2CCCC2)cc1 ZINC001267469289 1078886474 /nfs/dbraw/zinc/88/64/74/1078886474.db2.gz IERSCWHSLMWTIG-UHFFFAOYSA-N 1 3 317.477 2.071 20 0 DEADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCNCc1ccccc1F ZINC001267473925 1078894821 /nfs/dbraw/zinc/89/48/21/1078894821.db2.gz LHPHBVCPCIAWHQ-KRWDZBQOSA-N 1 3 321.440 2.248 20 0 DEADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCNCc1ccccc1F ZINC001267473925 1078894828 /nfs/dbraw/zinc/89/48/28/1078894828.db2.gz LHPHBVCPCIAWHQ-KRWDZBQOSA-N 1 3 321.440 2.248 20 0 DEADHO CCCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001267485195 1078909850 /nfs/dbraw/zinc/90/98/50/1078909850.db2.gz SNKSMRVYWCWOFS-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H]1CN(C)CCCN1C(=O)[C@@H]1CC[C@H]2C[C@H](C)C[N@@H+]2C1 ZINC001548698966 1072814546 /nfs/dbraw/zinc/81/45/46/1072814546.db2.gz ZAZBOECFESKZPP-HZMVEIRTSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@@H]1CN(C)CCCN1C(=O)[C@@H]1CC[C@H]2C[C@H](C)C[N@H+]2C1 ZINC001548698966 1072814553 /nfs/dbraw/zinc/81/45/53/1072814553.db2.gz ZAZBOECFESKZPP-HZMVEIRTSA-N 1 3 307.482 2.050 20 0 DEADHO [NH3+]C[C@@]12CCC[C@@H]1CN(CCc1nc(-c3ccccc3)no1)C2 ZINC001549115446 1073027808 /nfs/dbraw/zinc/02/78/08/1073027808.db2.gz GIXPZZWQVAPBNS-CRAIPNDOSA-N 1 3 312.417 2.340 20 0 DEADHO COc1cc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)ncc1C ZINC001549284314 1073111597 /nfs/dbraw/zinc/11/15/97/1073111597.db2.gz RDGBHIMKPLJYDN-RLFYNMQTSA-N 1 3 319.449 2.117 20 0 DEADHO C[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)CC[NH2+]1 ZINC001549337701 1073129894 /nfs/dbraw/zinc/12/98/94/1073129894.db2.gz IQCULGPCSIQRML-VDHUWJSZSA-N 1 3 315.461 2.458 20 0 DEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)CCN1 ZINC001549337701 1073129900 /nfs/dbraw/zinc/12/99/00/1073129900.db2.gz IQCULGPCSIQRML-VDHUWJSZSA-N 1 3 315.461 2.458 20 0 DEADHO CC(C)C[C@@H]([NH3+])CC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC001649027971 1079047126 /nfs/dbraw/zinc/04/71/26/1079047126.db2.gz DAVPYRSOGWQSNH-GDBMZVCRSA-N 1 3 305.422 2.050 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)NCC2(NC/C=C\Cl)CC2)C1 ZINC001483761046 1079081253 /nfs/dbraw/zinc/08/12/53/1079081253.db2.gz IYCUBGDAXAHUGK-VCDPDADVSA-N 1 3 313.873 2.099 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)NCC2(NC/C=C\Cl)CC2)C1 ZINC001483761046 1079081261 /nfs/dbraw/zinc/08/12/61/1079081261.db2.gz IYCUBGDAXAHUGK-VCDPDADVSA-N 1 3 313.873 2.099 20 0 DEADHO CC(C)[C@H](C(=O)NCC1([NH2+]CC2=CCCCC2)CC1)N(C)C ZINC001483785254 1079119582 /nfs/dbraw/zinc/11/95/82/1079119582.db2.gz BDCGENPWSRAHND-MRXNPFEDSA-N 1 3 307.482 2.311 20 0 DEADHO C[C@@H]1C[C@H]1c1noc(CC2CCN(C[C@H]3C[NH2+]C[C@H]3C)CC2)n1 ZINC001550350090 1073609374 /nfs/dbraw/zinc/60/93/74/1073609374.db2.gz HZZXVTKNOGZLTD-RRCSTGOVSA-N 1 3 318.465 2.303 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](N[C@H]1CCc3cccnc31)[C@@H](O)C2 ZINC001550355484 1073612965 /nfs/dbraw/zinc/61/29/65/1073612965.db2.gz XUDKTKGMRVTTIQ-MGGVOPSTSA-N 1 3 315.461 2.138 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](N[C@H]1CCc3cccnc31)[C@@H](O)C2 ZINC001550355484 1073612969 /nfs/dbraw/zinc/61/29/69/1073612969.db2.gz XUDKTKGMRVTTIQ-MGGVOPSTSA-N 1 3 315.461 2.138 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](N[C@@H]1CCc3cccnc31)[C@@H](O)C2 ZINC001550355486 1073613149 /nfs/dbraw/zinc/61/31/49/1073613149.db2.gz XUDKTKGMRVTTIQ-SMYFESCOSA-N 1 3 315.461 2.138 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](N[C@@H]1CCc3cccnc31)[C@@H](O)C2 ZINC001550355486 1073613156 /nfs/dbraw/zinc/61/31/56/1073613156.db2.gz XUDKTKGMRVTTIQ-SMYFESCOSA-N 1 3 315.461 2.138 20 0 DEADHO C[N@H+]1C[C@@H](c2ccccc2)[C@@H](CN[C@@H]2CO[C@H](C3CC3)C2)C1 ZINC001550511980 1073684041 /nfs/dbraw/zinc/68/40/41/1073684041.db2.gz OPQWFNOCJLMCSI-VJANTYMQSA-N 1 3 300.446 2.489 20 0 DEADHO C[N@@H+]1C[C@@H](c2ccccc2)[C@@H](CN[C@@H]2CO[C@H](C3CC3)C2)C1 ZINC001550511980 1073684044 /nfs/dbraw/zinc/68/40/44/1073684044.db2.gz OPQWFNOCJLMCSI-VJANTYMQSA-N 1 3 300.446 2.489 20 0 DEADHO CCC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001481120424 1079215092 /nfs/dbraw/zinc/21/50/92/1079215092.db2.gz DFCUNEZEIUYGIV-SQRWCISFSA-N 1 3 318.465 2.445 20 0 DEADHO CCC/C=C/CC[N@H+]1CC[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001481120424 1079215101 /nfs/dbraw/zinc/21/51/01/1079215101.db2.gz DFCUNEZEIUYGIV-SQRWCISFSA-N 1 3 318.465 2.445 20 0 DEADHO CN(C)Cc1cnc(CN2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)s1 ZINC001551258558 1074137743 /nfs/dbraw/zinc/13/77/43/1074137743.db2.gz DIXMNWGLNDTMBM-ZNMIVQPWSA-N 1 3 322.522 2.367 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CC1CC([NH3+])C1 ZINC001649036678 1079217160 /nfs/dbraw/zinc/21/71/60/1079217160.db2.gz JWTLLANHRROGSE-WOVHFWOGSA-N 1 3 313.445 2.257 20 0 DEADHO Cc1n[nH]cc1[C@H](C)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001551387441 1074200410 /nfs/dbraw/zinc/20/04/10/1074200410.db2.gz BEEJONYZCXRILV-KTAKPFMOSA-N 1 3 306.454 2.402 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001551389178 1074200762 /nfs/dbraw/zinc/20/07/62/1074200762.db2.gz JNISYGMPXFTDDC-JCJXWUGKSA-N 1 3 321.509 2.092 20 0 DEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCO[C@@H]2c2cnn(C)c2)C1 ZINC001552381509 1074560749 /nfs/dbraw/zinc/56/07/49/1074560749.db2.gz PWOFKSUXWGXOSK-SPUZQDLCSA-N 1 3 320.481 2.350 20 0 DEADHO [NH3+]C1CC(CC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC001646736597 1074587288 /nfs/dbraw/zinc/58/72/88/1074587288.db2.gz IXIPKYBFLJUJQL-JXQTWKCFSA-N 1 3 307.463 2.129 20 0 DEADHO CC(C)C[C@@](C)(C[NH3+])C(=O)NC[C@@H]1NCCc2ccccc21 ZINC001646749397 1074597451 /nfs/dbraw/zinc/59/74/51/1074597451.db2.gz XIQHREIDMIFMQE-WMZOPIPTSA-N 1 3 303.450 2.001 20 0 DEADHO CN(C)[C@@H]1CCC[N@H+](C[C@H]2CCCO[C@@H]2c2nccn2C)CC1 ZINC001552529738 1074600299 /nfs/dbraw/zinc/60/02/99/1074600299.db2.gz HLAMFKFZTSFLSP-ZACQAIPSSA-N 1 3 320.481 2.304 20 0 DEADHO CN(C)[C@@H]1CCC[N@@H+](C[C@H]2CCCO[C@@H]2c2nccn2C)CC1 ZINC001552529738 1074600302 /nfs/dbraw/zinc/60/03/02/1074600302.db2.gz HLAMFKFZTSFLSP-ZACQAIPSSA-N 1 3 320.481 2.304 20 0 DEADHO CCn1ccnc1[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC001552776468 1074653463 /nfs/dbraw/zinc/65/34/63/1074653463.db2.gz SXPFWZXYCXVXIB-YYIAUSFCSA-N 1 3 320.481 2.443 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@H]2CCCCN2C)CC1 ZINC001646955095 1074725428 /nfs/dbraw/zinc/72/54/28/1074725428.db2.gz BTMURSDLOOUXMC-QGZVFWFLSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@H]2CCCCN2C)CC1 ZINC001646955095 1074725436 /nfs/dbraw/zinc/72/54/36/1074725436.db2.gz BTMURSDLOOUXMC-QGZVFWFLSA-N 1 3 324.513 2.233 20 0 DEADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001369280862 1148890343 /nfs/dbraw/zinc/89/03/43/1148890343.db2.gz BECICIMGLYXJSD-PBHICJAKSA-N 1 3 323.456 2.411 20 0 DEADHO CC(C)[N@@H+]1CCC[C@](C)(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001484165319 1079340579 /nfs/dbraw/zinc/34/05/79/1079340579.db2.gz RCJMYOMQNINUSP-GOSISDBHSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[N@H+]1CCC[C@](C)(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001484165319 1079340583 /nfs/dbraw/zinc/34/05/83/1079340583.db2.gz RCJMYOMQNINUSP-GOSISDBHSA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)s1 ZINC001553650261 1074974684 /nfs/dbraw/zinc/97/46/84/1074974684.db2.gz AWECCUKOFUEUDH-XJKSGUPXSA-N 1 3 321.490 2.443 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)s1 ZINC001553650261 1074974688 /nfs/dbraw/zinc/97/46/88/1074974688.db2.gz AWECCUKOFUEUDH-XJKSGUPXSA-N 1 3 321.490 2.443 20 0 DEADHO Cc1cnc2ccccc2c1N1C[C@@H](n2ccnn2)[C@@H]([NH+](C)C)C1 ZINC001553807510 1074980989 /nfs/dbraw/zinc/98/09/89/1074980989.db2.gz ULRUHLUGRGBEFC-DLBZAZTESA-N 1 3 322.416 2.126 20 0 DEADHO CCCCCC[NH2+]C[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001567140260 1075442328 /nfs/dbraw/zinc/44/23/28/1075442328.db2.gz KSHQPBVRXAVJLH-IAGOWNOFSA-N 1 3 309.498 2.347 20 0 DEADHO C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589804226 1076517940 /nfs/dbraw/zinc/51/79/40/1076517940.db2.gz FEUQTGQWEMOVPN-MNOVXSKESA-N 1 3 306.389 2.174 20 0 DEADHO C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001589804226 1076517941 /nfs/dbraw/zinc/51/79/41/1076517941.db2.gz FEUQTGQWEMOVPN-MNOVXSKESA-N 1 3 306.389 2.174 20 0 DEADHO C[NH+](C)C1(C)CCC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001591006855 1076703214 /nfs/dbraw/zinc/70/32/14/1076703214.db2.gz BUISGEYGHVZLQU-UHFFFAOYSA-N 1 3 314.437 2.219 20 0 DEADHO C[NH+](C)C1(C)CCC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001591006855 1076703218 /nfs/dbraw/zinc/70/32/18/1076703218.db2.gz BUISGEYGHVZLQU-UHFFFAOYSA-N 1 3 314.437 2.219 20 0 DEADHO CC(C)CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001484338779 1079548350 /nfs/dbraw/zinc/54/83/50/1079548350.db2.gz OQUDQSJYVXRJMG-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C)C[C@@H](N)C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC001650354491 1079554769 /nfs/dbraw/zinc/55/47/69/1079554769.db2.gz QZNUXJPXVPGTKQ-CMPLNLGQSA-N 1 3 310.467 2.312 20 0 DEADHO CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001484395690 1079585360 /nfs/dbraw/zinc/58/53/60/1079585360.db2.gz BGMAFMYWHVJVGJ-WKILWMFISA-N 1 3 311.514 2.496 20 0 DEADHO C[NH+](C)CCCC(=O)N1CC2(C1)CCN(C/C=C\Cl)CC2 ZINC001484580962 1079669189 /nfs/dbraw/zinc/66/91/89/1079669189.db2.gz ZCAYRVXUCCFVDD-YWEYNIOJSA-N 1 3 313.873 2.005 20 0 DEADHO CCCN1Cc2ccc(CNC(=O)CCC[NH+](C)C)cc2C1 ZINC001484873798 1079832368 /nfs/dbraw/zinc/83/23/68/1079832368.db2.gz KUPVNRBVEAMCLD-UHFFFAOYSA-N 1 3 303.450 2.370 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C(C)(C)C1 ZINC001484936512 1079869062 /nfs/dbraw/zinc/86/90/62/1079869062.db2.gz JXTHGUFXMHIVFL-OAHLLOKOSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C(C)(C)C1 ZINC001484936512 1079869069 /nfs/dbraw/zinc/86/90/69/1079869069.db2.gz JXTHGUFXMHIVFL-OAHLLOKOSA-N 1 3 309.498 2.343 20 0 DEADHO CCN1CCC[C@@H](C[NH2+]Cc2ccccc2N2CCOCC2)C1 ZINC000066991112 1079870265 /nfs/dbraw/zinc/87/02/65/1079870265.db2.gz IKSIBSIMKLGIFT-KRWDZBQOSA-N 1 3 317.477 2.345 20 0 DEADHO C[C@@H](NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CN(C)CCN1C ZINC001653132471 1079914366 /nfs/dbraw/zinc/91/43/66/1079914366.db2.gz WFCOMIXSPYBIOT-VQIMIIECSA-N 1 3 322.541 2.007 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC2CC(C[NH2+]CCC(C)(C)C)C2)C1 ZINC001485102763 1079974969 /nfs/dbraw/zinc/97/49/69/1079974969.db2.gz RHSJTVKRNMKZGE-QQFBHYJXSA-N 1 3 309.498 2.249 20 0 DEADHO CC[C@@H](C(=O)N1CCC(C[N@H+](C)CC[C@H](C)F)CC1)N(C)C ZINC001481520581 1079992292 /nfs/dbraw/zinc/99/22/92/1079992292.db2.gz VWFCDVNYBIPLKE-HOCLYGCPSA-N 1 3 315.477 2.245 20 0 DEADHO CC[C@@H](C(=O)N1CCC(C[N@@H+](C)CC[C@H](C)F)CC1)N(C)C ZINC001481520581 1079992298 /nfs/dbraw/zinc/99/22/98/1079992298.db2.gz VWFCDVNYBIPLKE-HOCLYGCPSA-N 1 3 315.477 2.245 20 0 DEADHO CC1CCN(CCC[NH2+]Cc2ccccc2-n2cncn2)CC1 ZINC001655975681 1080027601 /nfs/dbraw/zinc/02/76/01/1080027601.db2.gz DGQZWANOFSXJEJ-UHFFFAOYSA-N 1 3 313.449 2.479 20 0 DEADHO C[C@@H](NCC=C(Cl)Cl)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001485186626 1080050880 /nfs/dbraw/zinc/05/08/80/1080050880.db2.gz PCNKKXFNSBKZBC-GHMZBOCLSA-N 1 3 322.280 2.130 20 0 DEADHO CC(C)C[C@H](C[NH2+]C/C=C/Cl)NC(=O)CN1CC[C@@H](C)C1 ZINC001268110748 1080080630 /nfs/dbraw/zinc/08/06/30/1080080630.db2.gz IDFCKYSAKHSPIJ-WYVSAIIBSA-N 1 3 315.889 2.201 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000982011642 1080183206 /nfs/dbraw/zinc/18/32/06/1080183206.db2.gz HCZKTYGLVXNJOJ-IRXDYDNUSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C)C[N@H+]1CCCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000982011642 1080183209 /nfs/dbraw/zinc/18/32/09/1080183209.db2.gz HCZKTYGLVXNJOJ-IRXDYDNUSA-N 1 3 321.509 2.441 20 0 DEADHO CCCCCN1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCC1 ZINC001481682970 1080294580 /nfs/dbraw/zinc/29/45/80/1080294580.db2.gz KMBULSPZWVYWNO-IRXDYDNUSA-N 1 3 307.482 2.338 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001485651994 1080344653 /nfs/dbraw/zinc/34/46/53/1080344653.db2.gz APQIACJGLXEQGY-BBWFWOEESA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001485651994 1080344657 /nfs/dbraw/zinc/34/46/57/1080344657.db2.gz APQIACJGLXEQGY-BBWFWOEESA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]([NH2+]CC1=CCCCC1)C1CC1 ZINC001661193072 1080454610 /nfs/dbraw/zinc/45/46/10/1080454610.db2.gz PYAZFRIXRMBRTE-KRWDZBQOSA-N 1 3 307.482 2.311 20 0 DEADHO CCCn1cncc1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001661528316 1080490482 /nfs/dbraw/zinc/49/04/82/1080490482.db2.gz FARDKYZFIYXMRN-IYBDPMFKSA-N 1 3 308.470 2.272 20 0 DEADHO C[C@@H]([NH2+]C/C=C/CNC(=O)[C@H]1CCCN1C)c1ccccc1 ZINC001268572756 1080781365 /nfs/dbraw/zinc/78/13/65/1080781365.db2.gz CCLJOUFIWCMOBM-RUBBHVMPSA-N 1 3 301.434 2.104 20 0 DEADHO CC[C@@H](C(=O)NC/C=C/C[NH2+]C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001268592893 1080838444 /nfs/dbraw/zinc/83/84/44/1080838444.db2.gz LVENIBSPLDSGKQ-IHDARNGBSA-N 1 3 317.424 2.024 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NC/C=C/CNC/C=C\Cl)CC1 ZINC001268611562 1080890319 /nfs/dbraw/zinc/89/03/19/1080890319.db2.gz SKVKVRDREGCHQQ-LHOHZTISSA-N 1 3 313.873 2.121 20 0 DEADHO CC(C)[C@@H](C(=O)NC/C=C/C[NH2+]Cc1ccccc1)N(C)C ZINC001268616378 1080891966 /nfs/dbraw/zinc/89/19/66/1080891966.db2.gz MIASCZCUHPFBAO-IJDCCNJMSA-N 1 3 303.450 2.035 20 0 DEADHO CC(C)[C@@H](C(=O)NC/C=C/C[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001268619121 1080894271 /nfs/dbraw/zinc/89/42/71/1080894271.db2.gz YJXHELQBNGWUGF-RTRPANQVSA-N 1 3 321.509 2.415 20 0 DEADHO CCc1cccc(C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001664321107 1080895899 /nfs/dbraw/zinc/89/58/99/1080895899.db2.gz JQMAICMRRUQJCH-GOSISDBHSA-N 1 3 319.493 2.383 20 0 DEADHO CN(CCC[NH2+]C/C=C\c1ccccc1)C(=O)[C@H]1CCCN1C ZINC001268782901 1080988881 /nfs/dbraw/zinc/98/88/81/1080988881.db2.gz GJUFWSUCKZCROE-HJLMUGLJSA-N 1 3 315.461 2.232 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)CCC[NH2+]CCC2CCCC2)C1 ZINC001268846983 1081018166 /nfs/dbraw/zinc/01/81/66/1081018166.db2.gz BUVACDRCYINQHQ-MRXNPFEDSA-N 1 3 309.498 2.347 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H](CC[NH2+]C/C=C/Cl)C1)N(C)C ZINC001666120136 1081125520 /nfs/dbraw/zinc/12/55/20/1081125520.db2.gz OAUZCZYRUNNLGL-VOTDVEDPSA-N 1 3 315.889 2.297 20 0 DEADHO CC/C=C/CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001666829790 1081184850 /nfs/dbraw/zinc/18/48/50/1081184850.db2.gz UVYGFIAEOFPXQF-LAQIPUCWSA-N 1 3 319.493 2.361 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H](CC[NH2+]C/C=C\Cl)C1 ZINC001269711972 1081342337 /nfs/dbraw/zinc/34/23/37/1081342337.db2.gz MOCCIWDAZCOOPM-JFCGUDLGSA-N 1 3 313.873 2.051 20 0 DEADHO CC[C@H](C(=O)NC/C=C/C[NH2+]Cc1cc(C)cc(C)c1)N(C)C ZINC001668882473 1081407011 /nfs/dbraw/zinc/40/70/11/1081407011.db2.gz HJZWIYHLZXTAAX-LKGOPFMKSA-N 1 3 317.477 2.406 20 0 DEADHO CC[C@H](C(=O)NC/C=C/C[NH2+]Cc1cccc(C)c1)N(C)C ZINC001669137718 1081430939 /nfs/dbraw/zinc/43/09/39/1081430939.db2.gz DPSFRIXAUMSSAN-DKRLNXSXSA-N 1 3 303.450 2.097 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH2+]C/C=C\CNC(=O)CN1CCCC1 ZINC001669188219 1081435909 /nfs/dbraw/zinc/43/59/09/1081435909.db2.gz DUVPHNFSMVNQBS-KEGWNNHHSA-N 1 3 315.461 2.414 20 0 DEADHO CC1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]C/C=C\Cl)CC1 ZINC001270281068 1081492865 /nfs/dbraw/zinc/49/28/65/1081492865.db2.gz FAZSNRIQWIUSGZ-YFUKIHRRSA-N 1 3 313.873 2.051 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]C/C=C/Cl ZINC001270308188 1081499007 /nfs/dbraw/zinc/49/90/07/1081499007.db2.gz CMFZOGUSBLUHIZ-SIEMXDPISA-N 1 3 313.873 2.194 20 0 DEADHO CN(CCC[NH2+]CCC1CCCCC1)C(=O)Cc1c[nH]cn1 ZINC001670261585 1081506419 /nfs/dbraw/zinc/50/64/19/1081506419.db2.gz QYWCLDXRCPEKPK-UHFFFAOYSA-N 1 3 306.454 2.361 20 0 DEADHO C[C@@H](C[NH2+]CC1CCC2(CC2)CC1)N(C)C(=O)Cc1c[nH]cn1 ZINC001482334884 1081729293 /nfs/dbraw/zinc/72/92/93/1081729293.db2.gz CLDCDBGXOJTYOS-AWEZNQCLSA-N 1 3 318.465 2.359 20 0 DEADHO CC[C@@H](C(=O)NC1CC(C[NH2+]CC=C(Cl)Cl)C1)N(C)C ZINC001674600056 1081893511 /nfs/dbraw/zinc/89/35/11/1081893511.db2.gz VTVWAHUOHWZOBD-MCIGGMRASA-N 1 3 322.280 2.130 20 0 DEADHO CC(C)C[C@H](C[NH2+]CCF)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001271304724 1082009456 /nfs/dbraw/zinc/00/94/56/1082009456.db2.gz MSCRQAYHNNBZBO-CVEARBPZSA-N 1 3 315.477 2.339 20 0 DEADHO CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001266826150 1082373277 /nfs/dbraw/zinc/37/32/77/1082373277.db2.gz OBSYBDDHTUAZLV-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO [NH3+][C@H](C(=O)Nc1ccc2c(c1)CNCCO2)C1CCCCCC1 ZINC001648987790 1082398282 /nfs/dbraw/zinc/39/82/82/1082398282.db2.gz WGDFGNBCPYMWJK-KRWDZBQOSA-N 1 3 317.433 2.405 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)CCC[NH+](C)C)cc1C ZINC001480908559 1082490208 /nfs/dbraw/zinc/49/02/08/1082490208.db2.gz XQAIIWMWHQFMBF-UHFFFAOYSA-N 1 3 305.466 2.193 20 0 DEADHO C[C@H](CC[NH2+]CC1=CCCCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001482870450 1082538071 /nfs/dbraw/zinc/53/80/71/1082538071.db2.gz DIXWISBLKKSZGQ-JKSUJKDBSA-N 1 3 307.482 2.313 20 0 DEADHO C[C@H](CC[NH2+]CC=C(Cl)Cl)NC(=O)CN1CC[C@@H](C)C1 ZINC001482870649 1082538382 /nfs/dbraw/zinc/53/83/82/1082538382.db2.gz FWSJVGSCZIJOHP-VXGBXAGGSA-N 1 3 322.280 2.132 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccccc1F)N(C)C ZINC001482874627 1082539549 /nfs/dbraw/zinc/53/95/49/1082539549.db2.gz JXGNIDOKINCBAW-CJNGLKHVSA-N 1 3 309.429 2.150 20 0 DEADHO CC(C)[NH2+]CC[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001482875569 1082540721 /nfs/dbraw/zinc/54/07/21/1082540721.db2.gz VNXAFGTWGOFOGA-XJKSGUPXSA-N 1 3 301.450 2.092 20 0 DEADHO C[C@@H](CNCc1ccns1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001483227607 1082829430 /nfs/dbraw/zinc/82/94/30/1082829430.db2.gz MIAOQXLJFUZPSH-ZDUSSCGKSA-N 1 3 324.494 2.002 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccccc1C ZINC001409437462 1082890332 /nfs/dbraw/zinc/89/03/32/1082890332.db2.gz QXWCSAFDTCDSGB-JKSUJKDBSA-N 1 3 305.466 2.320 20 0 DEADHO C[C@@H](NCc1ccns1)[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001409472820 1082907425 /nfs/dbraw/zinc/90/74/25/1082907425.db2.gz NXPYAQNNEVOLPN-ZIAGYGMSSA-N 1 3 324.494 2.002 20 0 DEADHO C[C@@H](C[NH2+][C@@H](C)c1ccccc1)NC(=O)CN(C)C1CCC1 ZINC001483235240 1082928068 /nfs/dbraw/zinc/92/80/68/1082928068.db2.gz GZVFIQNVKZJCCK-GJZGRUSLSA-N 1 3 303.450 2.326 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[N@H+](C)CC1CC2(CCC2)C1 ZINC001409644203 1083000510 /nfs/dbraw/zinc/00/05/10/1083000510.db2.gz IVPDAWQXNBHENP-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[N@@H+](C)CC1CC2(CCC2)C1 ZINC001409644203 1083000517 /nfs/dbraw/zinc/00/05/17/1083000517.db2.gz IVPDAWQXNBHENP-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]2CC1 ZINC001276514311 1083477634 /nfs/dbraw/zinc/47/76/34/1083477634.db2.gz YSQCIJCQJAUPHV-HDICACEKSA-N 1 3 321.509 2.299 20 0 DEADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](CCC3CCCC3)C[C@H]2CC1 ZINC001276514311 1083477639 /nfs/dbraw/zinc/47/76/39/1083477639.db2.gz YSQCIJCQJAUPHV-HDICACEKSA-N 1 3 321.509 2.299 20 0 DEADHO CC/C=C\CC[NH+]1CCC2(CCN(CC(=O)N(C)C)C2)CC1 ZINC001276522886 1083479495 /nfs/dbraw/zinc/47/94/95/1083479495.db2.gz QMXCPUPHUZBHBI-WAYWQWQTSA-N 1 3 307.482 2.219 20 0 DEADHO CN(C)C1(C(=O)N[C@@H](C[NH2+]CC2=CCCCC2)C2CC2)CCC1 ZINC001276602750 1083508699 /nfs/dbraw/zinc/50/86/99/1083508699.db2.gz DNJIYOPDUZDQHT-KRWDZBQOSA-N 1 3 319.493 2.456 20 0 DEADHO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2CCc1ccc(F)cc1 ZINC001276734510 1083577906 /nfs/dbraw/zinc/57/79/06/1083577906.db2.gz YAYBMCNLGYNSIT-HDICACEKSA-N 1 3 305.441 2.078 20 0 DEADHO Cc1cccc(N2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)n1 ZINC001276981151 1083716657 /nfs/dbraw/zinc/71/66/57/1083716657.db2.gz QIMNJEUDABWYFF-SFHVURJKSA-N 1 3 302.466 2.244 20 0 DEADHO CC/C=C\CC[NH+]1CC([C@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001276389125 1083927331 /nfs/dbraw/zinc/92/73/31/1083927331.db2.gz ONIYOBNRIIOXBU-YVACAVLKSA-N 1 3 307.482 2.264 20 0 DEADHO C[N@H+]1CC[C@H]2CN(Cc3cnn4ccc(Cl)nc34)C[C@H]2CC1 ZINC001277395772 1083943578 /nfs/dbraw/zinc/94/35/78/1083943578.db2.gz KAYXBFNIYQBVAS-BETUJISGSA-N 1 3 319.840 2.156 20 0 DEADHO C[N@@H+]1CC[C@H]2CN(Cc3cnn4ccc(Cl)nc34)C[C@H]2CC1 ZINC001277395772 1083943586 /nfs/dbraw/zinc/94/35/86/1083943586.db2.gz KAYXBFNIYQBVAS-BETUJISGSA-N 1 3 319.840 2.156 20 0 DEADHO C[NH+]1CCC2(CC1)CN(CCn1ccnc1)Cc1ccccc12 ZINC001277544259 1084028528 /nfs/dbraw/zinc/02/85/28/1084028528.db2.gz CXQSKVJLWVXYQF-UHFFFAOYSA-N 1 3 310.445 2.362 20 0 DEADHO CCCN(C)CC(=O)N1CCC([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001203460967 1084177755 /nfs/dbraw/zinc/17/77/55/1084177755.db2.gz YZGMAHCUNHCZRX-ZACQAIPSSA-N 1 3 321.509 2.345 20 0 DEADHO CN(C)C1(C(=O)N2CCCC[C@H]2C[NH2+]C/C=C/Cl)CCC1 ZINC001491251304 1084181735 /nfs/dbraw/zinc/18/17/35/1084181735.db2.gz LLQZAVZKQLJTDY-XYYIANASSA-N 1 3 313.873 2.194 20 0 DEADHO CCCCC[NH+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)CC1 ZINC001272825442 1084283582 /nfs/dbraw/zinc/28/35/82/1084283582.db2.gz FFOOVCDZHLRWJM-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO OCCCCC[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235362168 1084407326 /nfs/dbraw/zinc/40/73/26/1084407326.db2.gz LVNIATLXQYDETM-OALUTQOASA-N 1 3 302.462 2.402 20 0 DEADHO OCCCCC[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235362168 1084407329 /nfs/dbraw/zinc/40/73/29/1084407329.db2.gz LVNIATLXQYDETM-OALUTQOASA-N 1 3 302.462 2.402 20 0 DEADHO CCOc1cc(C(=O)OC)ccc1CN1CCC(C[NH3+])CC1 ZINC001205033302 1084438492 /nfs/dbraw/zinc/43/84/92/1084438492.db2.gz ADQQAHPXKKITHM-UHFFFAOYSA-N 1 3 306.406 2.043 20 0 DEADHO CCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCCN1CC ZINC001485836752 1084454610 /nfs/dbraw/zinc/45/46/10/1084454610.db2.gz HWGREVCCRNSNIJ-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C12CCC2 ZINC001078819826 1084899101 /nfs/dbraw/zinc/89/91/01/1084899101.db2.gz RWQQMKYYWIURMA-DLBZAZTESA-N 1 3 315.461 2.399 20 0 DEADHO CC[NH2+][C@H]1C[C@H](NC(=O)c2ccccc2CN(C)C)C12CCC2 ZINC001078820279 1084900476 /nfs/dbraw/zinc/90/04/76/1084900476.db2.gz WAFXIQRNWYEBQY-IRXDYDNUSA-N 1 3 315.461 2.399 20 0 DEADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)NCc1ccc(Cl)s1 ZINC001485920164 1084985458 /nfs/dbraw/zinc/98/54/58/1084985458.db2.gz RHLOOPMYEGZIAN-LLVKDONJSA-N 1 3 317.886 2.290 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(F)cc2)C[C@H]1C ZINC001486127923 1085094519 /nfs/dbraw/zinc/09/45/19/1085094519.db2.gz HUYDUZLOJWTORN-RHSMWYFYSA-N 1 3 321.440 2.247 20 0 DEADHO CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CN1CC[C@H](C)C1 ZINC000960305372 1085190104 /nfs/dbraw/zinc/19/01/04/1085190104.db2.gz ZNXXNQSEUWIXSX-POZUXBRTSA-N 1 3 315.461 2.110 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1CC1)C(C)(C)C ZINC001486398704 1085261646 /nfs/dbraw/zinc/26/16/46/1085261646.db2.gz LQFJYRZZRGOPCJ-CVEARBPZSA-N 1 3 309.498 2.391 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCC1 ZINC000960488259 1085311924 /nfs/dbraw/zinc/31/19/24/1085311924.db2.gz QPZLIXRJOGFXFZ-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCC1 ZINC000960488259 1085311932 /nfs/dbraw/zinc/31/19/32/1085311932.db2.gz QPZLIXRJOGFXFZ-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H](NC(=O)CN1CC[C@@H](C)C1)C1CC[NH+](CC2CCC2)CC1 ZINC001486440660 1085324369 /nfs/dbraw/zinc/32/43/69/1085324369.db2.gz WXPQBEQMCGIUKI-HZPDHXFCSA-N 1 3 321.509 2.345 20 0 DEADHO CCCCC[NH2+]C1CC(N(C)C(=O)CN2CCC(C)CC2)C1 ZINC001486479284 1085361074 /nfs/dbraw/zinc/36/10/74/1085361074.db2.gz HXXCEBIAEYCPPR-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[NH2+]C1CC2(CC(NC(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC000965061851 1085510555 /nfs/dbraw/zinc/51/05/55/1085510555.db2.gz FZZTVJAZRPUELZ-XOGYLQAWSA-N 1 3 307.482 2.001 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961235929 1085648396 /nfs/dbraw/zinc/64/83/96/1085648396.db2.gz XIYSBHCFVHHVOI-HZPDHXFCSA-N 1 3 318.465 2.169 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961235929 1085648399 /nfs/dbraw/zinc/64/83/99/1085648399.db2.gz XIYSBHCFVHHVOI-HZPDHXFCSA-N 1 3 318.465 2.169 20 0 DEADHO CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC000961376475 1085710393 /nfs/dbraw/zinc/71/03/93/1085710393.db2.gz TXHNMASCMIWLSI-MSOLQXFVSA-N 1 3 321.509 2.297 20 0 DEADHO CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC000961376475 1085710402 /nfs/dbraw/zinc/71/04/02/1085710402.db2.gz TXHNMASCMIWLSI-MSOLQXFVSA-N 1 3 321.509 2.297 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C(C)C)C[C@H]21 ZINC000962275056 1086046275 /nfs/dbraw/zinc/04/62/75/1086046275.db2.gz UZSOQYYKPNVJBU-TWMKSMIVSA-N 1 3 307.482 2.096 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C(C)C)C[C@H]21 ZINC000962275056 1086046283 /nfs/dbraw/zinc/04/62/83/1086046283.db2.gz UZSOQYYKPNVJBU-TWMKSMIVSA-N 1 3 307.482 2.096 20 0 DEADHO CN1CCN(C(=[NH2+])Nc2c(Cl)nc(F)c(Cl)c2F)CC1 ZINC001168735688 1086102012 /nfs/dbraw/zinc/10/20/12/1086102012.db2.gz DHHKUOXXHWNYMK-UHFFFAOYSA-N 1 3 324.162 2.261 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963383906 1086438044 /nfs/dbraw/zinc/43/80/44/1086438044.db2.gz OVFNFNDLVOGRFB-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963383906 1086438048 /nfs/dbraw/zinc/43/80/48/1086438048.db2.gz OVFNFNDLVOGRFB-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCN(CC3CCCC3)CC2)C1 ZINC000957325589 1088172753 /nfs/dbraw/zinc/17/27/53/1088172753.db2.gz QGCMBJUUGFDJJO-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N1CCC2(CC1)CC[NH+](CCF)CC2)N(C)C ZINC000957569013 1088417960 /nfs/dbraw/zinc/41/79/60/1088417960.db2.gz VNQCHCSLIJWGBP-OAHLLOKOSA-N 1 3 313.461 2.001 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)CN(C)CC(C)(C)C)[C@@H]2C1 ZINC001114839797 1089019039 /nfs/dbraw/zinc/01/90/39/1089019039.db2.gz GKMOTTLNOIRHBI-XPWYGWHRSA-N 1 3 321.509 2.367 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)CN(C)CC(C)(C)C)[C@@H]2C1 ZINC001114839797 1089019053 /nfs/dbraw/zinc/01/90/53/1089019053.db2.gz GKMOTTLNOIRHBI-XPWYGWHRSA-N 1 3 321.509 2.367 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCc2ccccc2[C@H]1C[NH2+]CC1CC1 ZINC000958803554 1089193629 /nfs/dbraw/zinc/19/36/29/1089193629.db2.gz XRHVUZJXQMFQLE-GOSISDBHSA-N 1 3 324.428 2.078 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001080992371 1089282425 /nfs/dbraw/zinc/28/24/25/1089282425.db2.gz HMEAAJXOFPGIRM-CRAIPNDOSA-N 1 3 317.477 2.454 20 0 DEADHO CC(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001080992371 1089282436 /nfs/dbraw/zinc/28/24/36/1089282436.db2.gz HMEAAJXOFPGIRM-CRAIPNDOSA-N 1 3 317.477 2.454 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CC1CCCC1 ZINC001082740792 1090066952 /nfs/dbraw/zinc/06/69/52/1090066952.db2.gz GMGFHNWFARAGLQ-BFYDXBDKSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCC2)C1 ZINC001082783373 1090076809 /nfs/dbraw/zinc/07/68/09/1090076809.db2.gz UGCFHOUQNRCMPL-KBAYOESNSA-N 1 3 321.509 2.486 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3CCC)[C@@H]2C1 ZINC001084389059 1090286325 /nfs/dbraw/zinc/28/63/25/1090286325.db2.gz QFJSHYKIMBDORN-IXDOHACOSA-N 1 3 307.482 2.194 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3CCC)[C@@H]2C1 ZINC001084389059 1090286330 /nfs/dbraw/zinc/28/63/30/1090286330.db2.gz QFJSHYKIMBDORN-IXDOHACOSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(C)C)C[C@H]21 ZINC001084475605 1090308949 /nfs/dbraw/zinc/30/89/49/1090308949.db2.gz UXKOXAMZIUXXHB-BRWVUGGUSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(C)C)C[C@H]21 ZINC001084475605 1090308960 /nfs/dbraw/zinc/30/89/60/1090308960.db2.gz UXKOXAMZIUXXHB-BRWVUGGUSA-N 1 3 307.482 2.048 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC3CCC3)C[C@H]2C1 ZINC001410185861 1090396577 /nfs/dbraw/zinc/39/65/77/1090396577.db2.gz NVIXNPQFVREUOF-RCCFBDPRSA-N 1 3 321.509 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC3CCC3)C[C@H]2C1 ZINC001410185861 1090396581 /nfs/dbraw/zinc/39/65/81/1090396581.db2.gz NVIXNPQFVREUOF-RCCFBDPRSA-N 1 3 321.509 2.345 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001084701652 1090402877 /nfs/dbraw/zinc/40/28/77/1090402877.db2.gz MKOBWIREKVZZPU-IXDOHACOSA-N 1 3 307.482 2.192 20 0 DEADHO CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001084701652 1090402880 /nfs/dbraw/zinc/40/28/80/1090402880.db2.gz MKOBWIREKVZZPU-IXDOHACOSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001410235121 1090454835 /nfs/dbraw/zinc/45/48/35/1090454835.db2.gz YOKCMCYAEMAROS-JCNLHEQBSA-N 1 3 321.509 2.391 20 0 DEADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CC1CCC(C)CC1 ZINC001410443461 1090682407 /nfs/dbraw/zinc/68/24/07/1090682407.db2.gz DNKYDGLKWGUVBZ-SHARSMKWSA-N 1 3 306.454 2.215 20 0 DEADHO Cc1ccc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCCN2C)cc1C ZINC001274263207 1091157552 /nfs/dbraw/zinc/15/75/52/1091157552.db2.gz OBLHZMNRYKNZTM-PYTPGESOSA-N 1 3 315.461 2.160 20 0 DEADHO CC[N@H+](C)CCN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001449264070 1091181276 /nfs/dbraw/zinc/18/12/76/1091181276.db2.gz BYYPRGDJIHPVCB-KRWDZBQOSA-N 1 3 315.477 2.388 20 0 DEADHO CC[N@@H+](C)CCN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001449264070 1091181281 /nfs/dbraw/zinc/18/12/81/1091181281.db2.gz BYYPRGDJIHPVCB-KRWDZBQOSA-N 1 3 315.477 2.388 20 0 DEADHO O=C(CN1CCCC1)NC/C=C\C[NH2+]C/C=C/c1ccccc1 ZINC001274578670 1091306870 /nfs/dbraw/zinc/30/68/70/1091306870.db2.gz LXQHHAIZUONPFG-LGXSBLIVSA-N 1 3 313.445 2.058 20 0 DEADHO CC[C@H](F)C[N@H+](C)CC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001437996314 1091310526 /nfs/dbraw/zinc/31/05/26/1091310526.db2.gz CBYAWGQENBEWOS-HOTGVXAUSA-N 1 3 315.477 2.245 20 0 DEADHO CC[C@H](F)C[N@@H+](C)CC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001437996314 1091310537 /nfs/dbraw/zinc/31/05/37/1091310537.db2.gz CBYAWGQENBEWOS-HOTGVXAUSA-N 1 3 315.477 2.245 20 0 DEADHO C[C@H](CNC/C=C\Cl)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001274863485 1091451985 /nfs/dbraw/zinc/45/19/85/1091451985.db2.gz AXASDJHDWUMXKM-JKEYDSJLSA-N 1 3 315.889 2.345 20 0 DEADHO CCOC(C)(C)C[N@H+]1C[C@@H]2CCN(Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001274943526 1091484197 /nfs/dbraw/zinc/48/41/97/1091484197.db2.gz UTHAXZZJWQDZPH-CALCHBBNSA-N 1 3 320.481 2.369 20 0 DEADHO CCOC(C)(C)C[N@@H+]1C[C@@H]2CCN(Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001274943526 1091484202 /nfs/dbraw/zinc/48/42/02/1091484202.db2.gz UTHAXZZJWQDZPH-CALCHBBNSA-N 1 3 320.481 2.369 20 0 DEADHO CN1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1C[NH+]1CCCC1)C2 ZINC001275537910 1091839754 /nfs/dbraw/zinc/83/97/54/1091839754.db2.gz UNGFJJMVFSYUNY-WBVHZDCISA-N 1 3 313.445 2.059 20 0 DEADHO C[N@@H+]1CCC2(C1)CCN(Cc1ccc(C(C)(C)O)nc1)CC2 ZINC001275584169 1091886616 /nfs/dbraw/zinc/88/66/16/1091886616.db2.gz XZAFDYVPYLVXET-UHFFFAOYSA-N 1 3 303.450 2.227 20 0 DEADHO C[N@H+]1CCC2(C1)CCN(Cc1ccc(C(C)(C)O)nc1)CC2 ZINC001275584169 1091886623 /nfs/dbraw/zinc/88/66/23/1091886623.db2.gz XZAFDYVPYLVXET-UHFFFAOYSA-N 1 3 303.450 2.227 20 0 DEADHO CCN(CC[NH2+]CC1CCCCCC1)C(=O)[C@H]1CCCN1C ZINC001273545563 1091915598 /nfs/dbraw/zinc/91/55/98/1091915598.db2.gz BGUXFHHFSMEMSY-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CCCN1C1CCCC1 ZINC001411640196 1091952067 /nfs/dbraw/zinc/95/20/67/1091952067.db2.gz BMNZOUMPVMTQNM-BRWVUGGUSA-N 1 3 305.466 2.136 20 0 DEADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CCCN1C1CCCC1 ZINC001411640196 1091952077 /nfs/dbraw/zinc/95/20/77/1091952077.db2.gz BMNZOUMPVMTQNM-BRWVUGGUSA-N 1 3 305.466 2.136 20 0 DEADHO CC(C)N1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000948987029 1092023267 /nfs/dbraw/zinc/02/32/67/1092023267.db2.gz RYPBKVAXZHBCAR-FUHWJXTLSA-N 1 3 315.461 2.062 20 0 DEADHO CC(C)N1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000948987029 1092023276 /nfs/dbraw/zinc/02/32/76/1092023276.db2.gz RYPBKVAXZHBCAR-FUHWJXTLSA-N 1 3 315.461 2.062 20 0 DEADHO CN(C)CC[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc(O)cc1)C2 ZINC001275893820 1092277291 /nfs/dbraw/zinc/27/72/91/1092277291.db2.gz DYXIWPGBKGDPLY-IBGZPJMESA-N 1 3 317.477 2.242 20 0 DEADHO CN(C)CC[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc(O)cc1)C2 ZINC001275893820 1092277302 /nfs/dbraw/zinc/27/73/02/1092277302.db2.gz DYXIWPGBKGDPLY-IBGZPJMESA-N 1 3 317.477 2.242 20 0 DEADHO CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001490552725 1093414815 /nfs/dbraw/zinc/41/48/15/1093414815.db2.gz DQFBSEFFIZZJDS-KJPDOMRESA-N 1 3 307.482 2.408 20 0 DEADHO CC/C=C\CC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001490552725 1093414821 /nfs/dbraw/zinc/41/48/21/1093414821.db2.gz DQFBSEFFIZZJDS-KJPDOMRESA-N 1 3 307.482 2.408 20 0 DEADHO CN(CCF)C[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001490765557 1093515866 /nfs/dbraw/zinc/51/58/66/1093515866.db2.gz FFTYSUGVENQJRN-JKSUJKDBSA-N 1 3 313.461 2.001 20 0 DEADHO CN(CCF)C[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001490765557 1093515859 /nfs/dbraw/zinc/51/58/59/1093515859.db2.gz FFTYSUGVENQJRN-JKSUJKDBSA-N 1 3 313.461 2.001 20 0 DEADHO CN(C)C1(C(=O)NC/C=C\C[NH2+]CC2CCCCC2)CCC1 ZINC001274088138 1093794659 /nfs/dbraw/zinc/79/46/59/1093794659.db2.gz GETNWXSEANESAH-SREVYHEPSA-N 1 3 307.482 2.313 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1F ZINC001368895382 1148753751 /nfs/dbraw/zinc/75/37/51/1148753751.db2.gz ORZKWFOWLAKTRA-KBPBESRZSA-N 1 3 309.429 2.149 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]CCc1cccs1 ZINC001278005168 1138406881 /nfs/dbraw/zinc/40/68/81/1138406881.db2.gz JQUMGXLYRMVEHJ-OAHLLOKOSA-N 1 3 323.506 2.211 20 0 DEADHO Clc1ccc2c(c1)[C@@H]1C[N@@H+](CC[C@@H]3CNCCO3)CC[C@H]1N2 ZINC001237237821 1138547520 /nfs/dbraw/zinc/54/75/20/1138547520.db2.gz XWMKUFPFLGMFQA-UKPHBRMFSA-N 1 3 321.852 2.302 20 0 DEADHO Clc1ccc2c(c1)[C@@H]1C[N@H+](CC[C@@H]3CNCCO3)CC[C@H]1N2 ZINC001237237821 1138547528 /nfs/dbraw/zinc/54/75/28/1138547528.db2.gz XWMKUFPFLGMFQA-UKPHBRMFSA-N 1 3 321.852 2.302 20 0 DEADHO COC(=O)c1ccc(CN2CCC3(CC2)CC[NH+](C)CC3)cn1 ZINC001237440306 1138623433 /nfs/dbraw/zinc/62/34/33/1138623433.db2.gz FOPJSOWOVGXWOF-UHFFFAOYSA-N 1 3 317.433 2.176 20 0 DEADHO COCC[N@@H+]1CCO[C@@H]2CN(Cc3ccsc3C)CC[C@@H]2C1 ZINC001237967342 1138813135 /nfs/dbraw/zinc/81/31/35/1138813135.db2.gz UOSWTMPQBGNGCL-IAGOWNOFSA-N 1 3 324.490 2.226 20 0 DEADHO COCC[N@H+]1CCO[C@@H]2CN(Cc3ccsc3C)CC[C@@H]2C1 ZINC001237967342 1138813136 /nfs/dbraw/zinc/81/31/36/1138813136.db2.gz UOSWTMPQBGNGCL-IAGOWNOFSA-N 1 3 324.490 2.226 20 0 DEADHO CCCC[C@H]1CN(C(=S)NCCC[NH+](CC)CC)CCN1 ZINC001239445362 1139049053 /nfs/dbraw/zinc/04/90/53/1139049053.db2.gz LUXJKFVMYLXOAS-HNNXBMFYSA-N 1 3 314.543 2.057 20 0 DEADHO COc1cc(N2CC[NH2+]CC2)ccc1-c1nccc2c1CCN2 ZINC001244283564 1140332655 /nfs/dbraw/zinc/33/26/55/1140332655.db2.gz KFAZMUWLWYCCJH-UHFFFAOYSA-N 1 3 310.401 2.135 20 0 DEADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)C[NH2+]C/C=C/Cl ZINC001319245527 1140534576 /nfs/dbraw/zinc/53/45/76/1140534576.db2.gz NPXQENPKALHJDS-YBJDMEARSA-N 1 3 303.878 2.059 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CCCC(C)(C)C)CN1C(=O)Cc1c[nH]cn1 ZINC001278405800 1140628448 /nfs/dbraw/zinc/62/84/48/1140628448.db2.gz ZBBSVBHILLWEIG-UKRRQHHQSA-N 1 3 306.454 2.358 20 0 DEADHO CC(C)[C@H](N)C[NH2+]C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001246001333 1140844526 /nfs/dbraw/zinc/84/45/26/1140844526.db2.gz HMOLZHCJONQVEB-NVXWUHKLSA-N 1 3 308.466 2.297 20 0 DEADHO CCCC[C@H](CC)COC[C@H](O)CN1CCC[C@H]([NH3+])CC1 ZINC001246018174 1140846733 /nfs/dbraw/zinc/84/67/33/1140846733.db2.gz VAHFPADWIDIFRO-YESZJQIVSA-N 1 3 300.487 2.394 20 0 DEADHO C[C@@]1(C[NH3+])CCCCN(C[C@@H](O)COc2cccc(F)c2)C1 ZINC001246018317 1140847412 /nfs/dbraw/zinc/84/74/12/1140847412.db2.gz ASWZRNRUTGHTQT-WBVHZDCISA-N 1 3 310.413 2.016 20 0 DEADHO Cc1ccc(OC[C@@H](O)CN2CCCC[C@@](C)(C[NH3+])C2)cc1 ZINC001246025362 1140849125 /nfs/dbraw/zinc/84/91/25/1140849125.db2.gz XKVKFYQIZUTDOG-WMZOPIPTSA-N 1 3 306.450 2.186 20 0 DEADHO C[C@@H]1CC[C@@H](CN[C@@H]2CCCN(C(=O)c3ccccc3)C2)C[NH2+]1 ZINC001246096956 1140860898 /nfs/dbraw/zinc/86/08/98/1140860898.db2.gz NUWRQSNYMPJHNC-JFIYKMOQSA-N 1 3 315.461 2.269 20 0 DEADHO C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)C(=O)C2)NC1 ZINC001246108796 1140862151 /nfs/dbraw/zinc/86/21/51/1140862151.db2.gz WOSZYPOBVDPRKR-NXHRZFHOSA-N 1 3 315.461 2.155 20 0 DEADHO c1ccc2c(c1)CCC21CCC(N[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC001246137984 1140865592 /nfs/dbraw/zinc/86/55/92/1140865592.db2.gz KQVBELYLKZDMSL-AJGJIILBSA-N 1 3 312.457 2.390 20 0 DEADHO Cc1cc(F)ccc1[C@@H]1C[C@@H](N[C@@H]2CCNC[C@H]2F)CC[NH2+]1 ZINC001246216728 1140874223 /nfs/dbraw/zinc/87/42/23/1140874223.db2.gz HWHIFQVVOPIENA-SVGFKBNWSA-N 1 3 309.404 2.217 20 0 DEADHO Fc1cc(F)cc(CN2CCC([NH2+]C3CCNCC3)CC2)c1 ZINC001246360815 1140888249 /nfs/dbraw/zinc/88/82/49/1140888249.db2.gz TZWLWWGPUPKPRM-UHFFFAOYSA-N 1 3 309.404 2.271 20 0 DEADHO COc1ccc(F)cc1CN1CCC(N[C@H]2CCC[NH2+]C2)CC1 ZINC001246359431 1140888379 /nfs/dbraw/zinc/88/83/79/1140888379.db2.gz OQHNGORANPZKGR-KRWDZBQOSA-N 1 3 321.440 2.140 20 0 DEADHO COc1ccc(CCN(C[C@@H](C)O)[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC001246531353 1140938882 /nfs/dbraw/zinc/93/88/82/1140938882.db2.gz FBANCUVHFFRYFC-BFYDXBDKSA-N 1 3 306.450 2.061 20 0 DEADHO COc1ccc(CC[N@H+](C[C@@H](C)O)[C@@H]2CCN[C@H](C)C2)cc1 ZINC001246531353 1140938907 /nfs/dbraw/zinc/93/89/07/1140938907.db2.gz FBANCUVHFFRYFC-BFYDXBDKSA-N 1 3 306.450 2.061 20 0 DEADHO COc1ccc(CC[N@@H+](C[C@@H](C)O)[C@@H]2CCN[C@H](C)C2)cc1 ZINC001246531353 1140938929 /nfs/dbraw/zinc/93/89/29/1140938929.db2.gz FBANCUVHFFRYFC-BFYDXBDKSA-N 1 3 306.450 2.061 20 0 DEADHO COc1ccc(CCN(C[C@@H](C)O)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246533329 1140941110 /nfs/dbraw/zinc/94/11/10/1140941110.db2.gz MJGNFAOUVRDORA-NAZJXLNTSA-N 1 3 318.461 2.204 20 0 DEADHO [NH3+][C@H]1CCCN(C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC001246543614 1140947999 /nfs/dbraw/zinc/94/79/99/1140947999.db2.gz VAOQMSZYYLCDBV-INIZCTEOSA-N 1 3 319.424 2.244 20 0 DEADHO CCN(CC[NH2+]CC1CC1)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001320840905 1140948757 /nfs/dbraw/zinc/94/87/57/1140948757.db2.gz MXGZNIYOPJPBFL-KRWDZBQOSA-N 1 3 313.461 2.047 20 0 DEADHO NC[C@H]1C[N@@H+](C2CCC3(CCc4ccccc43)CC2)C[C@H]1O ZINC001246580005 1140981664 /nfs/dbraw/zinc/98/16/64/1140981664.db2.gz KBYAWUULCYMTQP-MEWCUZTCSA-N 1 3 300.446 2.065 20 0 DEADHO NC[C@H]1C[N@H+](C2CCC3(CCc4ccccc43)CC2)C[C@H]1O ZINC001246580005 1140981692 /nfs/dbraw/zinc/98/16/92/1140981692.db2.gz KBYAWUULCYMTQP-MEWCUZTCSA-N 1 3 300.446 2.065 20 0 DEADHO Cc1cccc2c1CC[C@H](N1CC[NH2+]C[C@]3(CCCCN3)C1)C2 ZINC001246637560 1141019015 /nfs/dbraw/zinc/01/90/15/1141019015.db2.gz YNBRSJLAIIXRTD-AZUAARDMSA-N 1 3 313.489 2.270 20 0 DEADHO CCC[C@@H](CCc1ccccc1)N1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246642707 1141019293 /nfs/dbraw/zinc/01/92/93/1141019293.db2.gz NDJJKXZXRWAQBT-RBUKOAKNSA-N 1 3 301.478 2.425 20 0 DEADHO COC(=O)c1ccc(C[C@@H](C)[N@@H+]2C[C@H]3CCC[C@@]3(N)C2)cc1 ZINC001246667750 1141029453 /nfs/dbraw/zinc/02/94/53/1141029453.db2.gz UZPYNTGVWXJRGY-MZMPZRCHSA-N 1 3 302.418 2.217 20 0 DEADHO COC(=O)c1ccc(C[C@@H](C)[N@H+]2C[C@H]3CCC[C@@]3(N)C2)cc1 ZINC001246667750 1141029461 /nfs/dbraw/zinc/02/94/61/1141029461.db2.gz UZPYNTGVWXJRGY-MZMPZRCHSA-N 1 3 302.418 2.217 20 0 DEADHO C[C@@H]1C[C@H](N2CC[C@]3(c4ccccc4OC3=O)C2(C)C)CC[NH2+]1 ZINC001246925820 1141125799 /nfs/dbraw/zinc/12/57/99/1141125799.db2.gz PSNBOWIVWGRKQQ-PJIJBLCYSA-N 1 3 314.429 2.468 20 0 DEADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@]3(c4ccccc4OC3=O)C2(C)C)CCN1 ZINC001246925820 1141125826 /nfs/dbraw/zinc/12/58/26/1141125826.db2.gz PSNBOWIVWGRKQQ-PJIJBLCYSA-N 1 3 314.429 2.468 20 0 DEADHO C[C@@H]1C[C@H]([N@H+]2CC[C@]3(c4ccccc4OC3=O)C2(C)C)CCN1 ZINC001246925820 1141125849 /nfs/dbraw/zinc/12/58/49/1141125849.db2.gz PSNBOWIVWGRKQQ-PJIJBLCYSA-N 1 3 314.429 2.468 20 0 DEADHO COC(=O)[C@@H]1CN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1c1ccccc1 ZINC001246983750 1141213339 /nfs/dbraw/zinc/21/33/39/1141213339.db2.gz IJXVBPCGVVCGOH-VQTPCSAVSA-N 1 3 314.429 2.158 20 0 DEADHO c1ccc2c(c1)CC1(CC[NH+]([C@H]3CCOC4(CNC4)C3)CC1)N2 ZINC001247009611 1141242653 /nfs/dbraw/zinc/24/26/53/1141242653.db2.gz LDTBTSHCWDCBLS-INIZCTEOSA-N 1 3 313.445 2.010 20 0 DEADHO CC1(C)NC[C@@H](c2nc3c(cccc3F)n2C2CC[NH2+]CC2)O1 ZINC001247025499 1141250157 /nfs/dbraw/zinc/25/01/57/1141250157.db2.gz HFLGYAIAAXVTPW-AWEZNQCLSA-N 1 3 318.396 2.497 20 0 DEADHO [NH3+][C@@H](Cc1nc(-c2ccc3c(n2)CCNC3)no1)c1ccccc1 ZINC001248170450 1141714116 /nfs/dbraw/zinc/71/41/16/1141714116.db2.gz GPTGQHVCGYGEJU-AWEZNQCLSA-N 1 3 321.384 2.020 20 0 DEADHO CCN1C[C@@H]2C[N@@H+](Cc3ccc(-c4ccn(C)n4)cc3)C[C@@H]2C1 ZINC001248768337 1141814460 /nfs/dbraw/zinc/81/44/60/1141814460.db2.gz TUKSNDWQTNKUHT-HDICACEKSA-N 1 3 310.445 2.471 20 0 DEADHO CCN1C[C@@H]2C[N@H+](Cc3ccc(-c4ccn(C)n4)cc3)C[C@@H]2C1 ZINC001248768337 1141814461 /nfs/dbraw/zinc/81/44/61/1141814461.db2.gz TUKSNDWQTNKUHT-HDICACEKSA-N 1 3 310.445 2.471 20 0 DEADHO CC/C=C\CC[NH2+]C[C@@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001324225888 1142035852 /nfs/dbraw/zinc/03/58/52/1142035852.db2.gz NTHSRZVSTJUXAC-FEFZKZJHSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCF)C1 ZINC001278555839 1142094611 /nfs/dbraw/zinc/09/46/11/1142094611.db2.gz GKDJTGVVVPNOJH-RDJZCZTQSA-N 1 3 313.461 2.047 20 0 DEADHO CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001278583318 1142242077 /nfs/dbraw/zinc/24/20/77/1142242077.db2.gz YHWJSTBEDCFXPP-FUHWJXTLSA-N 1 3 309.498 2.489 20 0 DEADHO CN1CC2(C1)CC[NH+](C[C@@H](O)COc1ccc(Cl)cc1)CC2 ZINC001250671955 1142263398 /nfs/dbraw/zinc/26/33/98/1142263398.db2.gz QSDWXYUSUGUJKV-OAHLLOKOSA-N 1 3 324.852 2.107 20 0 DEADHO COc1cccc([C@H](O)C[NH2+]CCCN2CCC(C)CC2)c1 ZINC001250731282 1142294572 /nfs/dbraw/zinc/29/45/72/1142294572.db2.gz ZXDNEGFJLJGMCH-GOSISDBHSA-N 1 3 306.450 2.440 20 0 DEADHO CC[NH+](CC)C[C@@H](O)CN[C@H]1CCc2cc(Cl)ccc2C1 ZINC001253211216 1142854379 /nfs/dbraw/zinc/85/43/79/1142854379.db2.gz UJVQUTWKADBIHD-IRXDYDNUSA-N 1 3 310.869 2.490 20 0 DEADHO C[N@H+](CC1(O)CCN(Cc2ccccc2)CC1)[C@@H]1CCCOC1 ZINC001254044155 1143031670 /nfs/dbraw/zinc/03/16/70/1143031670.db2.gz VAYVWKDPXUDKQW-GOSISDBHSA-N 1 3 318.461 2.124 20 0 DEADHO C[N@@H+](CC1(O)CCN(Cc2ccccc2)CC1)[C@@H]1CCCOC1 ZINC001254044155 1143031680 /nfs/dbraw/zinc/03/16/80/1143031680.db2.gz VAYVWKDPXUDKQW-GOSISDBHSA-N 1 3 318.461 2.124 20 0 DEADHO C[N@@H+]1CCC[C@H](N2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC1 ZINC001254520437 1143196433 /nfs/dbraw/zinc/19/64/33/1143196433.db2.gz DLYKNVCFZXYIJW-CWRNSKLLSA-N 1 3 319.474 2.412 20 0 DEADHO C[N@H+]1CCC[C@H](N2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC1 ZINC001254520437 1143196460 /nfs/dbraw/zinc/19/64/60/1143196460.db2.gz DLYKNVCFZXYIJW-CWRNSKLLSA-N 1 3 319.474 2.412 20 0 DEADHO COC(=O)[C@@H]1C[N@@H+]([C@H]2CCCN(C)CC2)Cc2ccccc21 ZINC001254531808 1143227420 /nfs/dbraw/zinc/22/74/20/1143227420.db2.gz MKPSEGAWFCDCDB-DOTOQJQBSA-N 1 3 302.418 2.243 20 0 DEADHO COC(=O)[C@@H]1C[N@H+]([C@H]2CCCN(C)CC2)Cc2ccccc21 ZINC001254531808 1143227453 /nfs/dbraw/zinc/22/74/53/1143227453.db2.gz MKPSEGAWFCDCDB-DOTOQJQBSA-N 1 3 302.418 2.243 20 0 DEADHO COc1cccnc1O[C@H]1CC[N@@H+]([C@@H]2CCCN(C)CC2)C1 ZINC001254533562 1143234727 /nfs/dbraw/zinc/23/47/27/1143234727.db2.gz MMJZATXZQWMGOW-CABCVRRESA-N 1 3 305.422 2.028 20 0 DEADHO COc1cccnc1O[C@H]1CC[N@H+]([C@@H]2CCCN(C)CC2)C1 ZINC001254533562 1143234749 /nfs/dbraw/zinc/23/47/49/1143234749.db2.gz MMJZATXZQWMGOW-CABCVRRESA-N 1 3 305.422 2.028 20 0 DEADHO CN1CC[C@H]([N@H+](Cc2ccc(F)cc2)C2CCN(C)CC2)C1 ZINC001255443794 1143634135 /nfs/dbraw/zinc/63/41/35/1143634135.db2.gz WKFUYHVEYXJACI-SFHVURJKSA-N 1 3 305.441 2.426 20 0 DEADHO CN1CC[C@H]([N@@H+](Cc2ccc(F)cc2)C2CCN(C)CC2)C1 ZINC001255443794 1143634144 /nfs/dbraw/zinc/63/41/44/1143634144.db2.gz WKFUYHVEYXJACI-SFHVURJKSA-N 1 3 305.441 2.426 20 0 DEADHO CCOC(=O)N1CC[C@@H](NC2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001256017979 1143821731 /nfs/dbraw/zinc/82/17/31/1143821731.db2.gz JASZMQDGAQTXTL-CYBMUJFWSA-N 1 3 311.470 2.458 20 0 DEADHO COc1ccc2c(c1)c(CN)nn2C1CC[NH+](C2CC2)CC1 ZINC001256074295 1143828015 /nfs/dbraw/zinc/82/80/15/1143828015.db2.gz QWOVJOAVJSYHFM-UHFFFAOYSA-N 1 3 300.406 2.303 20 0 DEADHO c1cc(CN2CCC([NH2+]CCCN3CCCC3)CC2)ccn1 ZINC001256577284 1143854832 /nfs/dbraw/zinc/85/48/32/1143854832.db2.gz HVMIFAJSWLNRFW-UHFFFAOYSA-N 1 3 302.466 2.122 20 0 DEADHO c1cc(C[NH2+]C2CCC(N3CCOCC3)CC2)cc2c1OCO2 ZINC001256675598 1143861215 /nfs/dbraw/zinc/86/12/15/1143861215.db2.gz DTAUAHXMLOOQFS-UHFFFAOYSA-N 1 3 318.417 2.148 20 0 DEADHO c1ccc2c(c1)C[C@H](C[NH2+]C1CCC(N3CCOCC3)CC1)O2 ZINC001256678992 1143861424 /nfs/dbraw/zinc/86/14/24/1143861424.db2.gz YOJLEGMPTCQKGB-DAWZGUTISA-N 1 3 316.445 2.223 20 0 DEADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCC(N3CCOCC3)CC1)C2 ZINC001256685135 1143862105 /nfs/dbraw/zinc/86/21/05/1143862105.db2.gz YGKNNOYXZKRBIK-ONXZOORISA-N 1 3 321.509 2.235 20 0 DEADHO Cc1cccc([C@@H](CO)[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256687386 1143862438 /nfs/dbraw/zinc/86/24/38/1143862438.db2.gz UJACVNCJAJQSJP-CTWPCTMYSA-N 1 3 318.461 2.261 20 0 DEADHO Cc1cccn2c(CNC3CCN(c4cc[nH+]cc4)CC3)nnc12 ZINC001256846619 1143870366 /nfs/dbraw/zinc/87/03/66/1143870366.db2.gz OZBQOAKQFCCHDB-UHFFFAOYSA-N 1 3 322.416 2.191 20 0 DEADHO CC(C)[C@@H]1C[C@@H](NC2(C[NH3+])CC2)CCN1C(=O)OC(C)(C)C ZINC001257188767 1143892068 /nfs/dbraw/zinc/89/20/68/1143892068.db2.gz XJISHZHQFYMWNK-KBPBESRZSA-N 1 3 311.470 2.491 20 0 DEADHO CC(C)[NH+]1CCC(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)CC1 ZINC001257214325 1143893846 /nfs/dbraw/zinc/89/38/46/1143893846.db2.gz BLASRDLYCNJFAI-KSSFIOAISA-N 1 3 323.481 2.458 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C[NH2+]CC[C@@H](C)F)C(C)(C)C ZINC001279028063 1143937745 /nfs/dbraw/zinc/93/77/45/1143937745.db2.gz MMCINAAYBMGLFY-RISCZKNCSA-N 1 3 312.433 2.129 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)NCCCCCC1CC[NH2+]CC1 ZINC001262591736 1144321960 /nfs/dbraw/zinc/32/19/60/1144321960.db2.gz VURGOSAIYLYYPI-QGZVFWFLSA-N 1 3 324.513 2.330 20 0 DEADHO CCC/C=C/CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001263820597 1144400847 /nfs/dbraw/zinc/40/08/47/1144400847.db2.gz CGNMSLYJJOQTQC-KGVXHEBISA-N 1 3 307.482 2.217 20 0 DEADHO CCC/C=C/CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001263820597 1144400850 /nfs/dbraw/zinc/40/08/50/1144400850.db2.gz CGNMSLYJJOQTQC-KGVXHEBISA-N 1 3 307.482 2.217 20 0 DEADHO C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001263998017 1144439462 /nfs/dbraw/zinc/43/94/62/1144439462.db2.gz NBYBVPGUOVEDKE-CEDMHZTKSA-N 1 3 313.873 2.050 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC001480460833 1151821598 /nfs/dbraw/zinc/82/15/98/1151821598.db2.gz XSPSZZLULNDASE-PBHICJAKSA-N 1 3 321.440 2.293 20 0 DEADHO CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001279289089 1144820319 /nfs/dbraw/zinc/82/03/19/1144820319.db2.gz YUMVXMMJVQSWSS-ULQDDVLXSA-N 1 3 311.514 2.495 20 0 DEADHO CC(C)CCC[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001281410099 1144887832 /nfs/dbraw/zinc/88/78/32/1144887832.db2.gz WICUWAMYPRROJD-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1CCC[C@@](CNC(=O)N(C)[C@@H]2CCCN(C)C2)([NH+](C)C)C1 ZINC001364507050 1145304568 /nfs/dbraw/zinc/30/45/68/1145304568.db2.gz GAULDTZAJJFQKZ-JFIYKMOQSA-N 1 3 324.513 2.233 20 0 DEADHO CN(C)c1ccccc1C[NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC001365365935 1145860372 /nfs/dbraw/zinc/86/03/72/1145860372.db2.gz UWLDJCPUVSFUER-OALUTQOASA-N 1 3 317.477 2.220 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C)cc2)C1)N(C)C ZINC001366133585 1147071721 /nfs/dbraw/zinc/07/17/21/1147071721.db2.gz KFOKRFGAGPCVOC-BRWVUGGUSA-N 1 3 303.450 2.072 20 0 DEADHO CC(C)CC[NH2+]C[C@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001317189332 1147085273 /nfs/dbraw/zinc/08/52/73/1147085273.db2.gz IVOSYFKTIJCENS-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC001366166782 1147087813 /nfs/dbraw/zinc/08/78/13/1147087813.db2.gz LXNINSNESZKSEU-SOLBZPMBSA-N 1 3 315.461 2.253 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CCC[N@H+](CC3CCCC3)C2)C1 ZINC001366179613 1147096270 /nfs/dbraw/zinc/09/62/70/1147096270.db2.gz MDYVOZBSTRNULO-SJLPKXTDSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CCC[N@@H+](CC3CCCC3)C2)C1 ZINC001366179613 1147096277 /nfs/dbraw/zinc/09/62/77/1147096277.db2.gz MDYVOZBSTRNULO-SJLPKXTDSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@H](F)CC[NH2+]C[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001317190701 1147120696 /nfs/dbraw/zinc/12/06/96/1147120696.db2.gz QNOLDUNSYNSJSC-GOEBONIOSA-N 1 3 313.461 2.190 20 0 DEADHO CCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001366224836 1147130149 /nfs/dbraw/zinc/13/01/49/1147130149.db2.gz HJBISLJGXIEHGP-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001366224836 1147130161 /nfs/dbraw/zinc/13/01/61/1147130161.db2.gz HJBISLJGXIEHGP-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc2c(c1)CCC2)N(C)C ZINC001366292801 1147196187 /nfs/dbraw/zinc/19/61/87/1147196187.db2.gz IOHUXGRYFJQNJW-KBXCAEBGSA-N 1 3 317.477 2.110 20 0 DEADHO CCc1cccc(CN(C)CCNC(=O)C2CC[NH+](C)CC2)c1 ZINC001366555158 1147349531 /nfs/dbraw/zinc/34/95/31/1147349531.db2.gz CQEQPIVLDYFUAH-UHFFFAOYSA-N 1 3 317.477 2.139 20 0 DEADHO Cc1cc(F)ccc1CN1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001366676096 1147469902 /nfs/dbraw/zinc/46/99/02/1147469902.db2.gz HZHUTWQTKQDDQH-KRWDZBQOSA-N 1 3 321.440 2.166 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@@H]1CCCN1C/C=C\c1ccccc1 ZINC001366682517 1147479123 /nfs/dbraw/zinc/47/91/23/1147479123.db2.gz YCPGAMJXRORHDT-TWVNLXSWSA-N 1 3 315.461 2.232 20 0 DEADHO CC(C)CC[NH2+][C@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001366779295 1147555066 /nfs/dbraw/zinc/55/50/66/1147555066.db2.gz ABICSPNCVNMSOH-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)=CCN1CCC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001316944118 1147636062 /nfs/dbraw/zinc/63/60/62/1147636062.db2.gz NYYRTDQODQBGLC-IRXDYDNUSA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)=CCN1CCC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001316944118 1147636065 /nfs/dbraw/zinc/63/60/65/1147636065.db2.gz NYYRTDQODQBGLC-IRXDYDNUSA-N 1 3 307.482 2.408 20 0 DEADHO CCc1ccccc1CN1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001367034506 1147637058 /nfs/dbraw/zinc/63/70/58/1147637058.db2.gz YVOVJDIMQLWJII-GOSISDBHSA-N 1 3 317.477 2.281 20 0 DEADHO CC[C@@H](C(=O)NCCC1CC[NH+](C/C=C\Cl)CC1)N(C)C ZINC001367219804 1147665799 /nfs/dbraw/zinc/66/57/99/1147665799.db2.gz UGJQWPZFQIGPDG-ZHMISCPASA-N 1 3 315.889 2.297 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1 ZINC001367264816 1147671353 /nfs/dbraw/zinc/67/13/53/1147671353.db2.gz WEXLOCWEWXNMML-SJLPKXTDSA-N 1 3 317.477 2.403 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CCC1CC1)N(C)C ZINC001317190174 1147673679 /nfs/dbraw/zinc/67/36/79/1147673679.db2.gz MXUMYYHXGVQOSI-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(C)c1)N(C)C ZINC001367379704 1147686289 /nfs/dbraw/zinc/68/62/89/1147686289.db2.gz IFMRJUKRRSVNBU-RDJZCZTQSA-N 1 3 305.466 2.272 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CCCC1 ZINC001367416934 1147691513 /nfs/dbraw/zinc/69/15/13/1147691513.db2.gz SDDYEFNVWYDISB-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)=CC[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001317856912 1147758288 /nfs/dbraw/zinc/75/82/88/1147758288.db2.gz KQGDFCKQBSZAJM-SFHVURJKSA-N 1 3 321.509 2.465 20 0 DEADHO CC(C)=CC[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001317856912 1147758290 /nfs/dbraw/zinc/75/82/90/1147758290.db2.gz KQGDFCKQBSZAJM-SFHVURJKSA-N 1 3 321.509 2.465 20 0 DEADHO CCc1cccc(CN(C)C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001367860756 1147762795 /nfs/dbraw/zinc/76/27/95/1147762795.db2.gz XNUXGNPHZFHMCM-CRAIPNDOSA-N 1 3 317.477 2.137 20 0 DEADHO CCc1cccc(CN(C)C[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001367860756 1147762796 /nfs/dbraw/zinc/76/27/96/1147762796.db2.gz XNUXGNPHZFHMCM-CRAIPNDOSA-N 1 3 317.477 2.137 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccc(F)cc1)C1CC1)N(C)C ZINC001367902925 1147767932 /nfs/dbraw/zinc/76/79/32/1147767932.db2.gz QJGMMTGFYHGZOB-SJORKVTESA-N 1 3 321.440 2.150 20 0 DEADHO CC(C)CC[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001325576753 1147954263 /nfs/dbraw/zinc/95/42/63/1147954263.db2.gz RCSYWNVYUQVZLZ-MSOLQXFVSA-N 1 3 323.525 2.449 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCC1(C)CC[NH+](CCC)CC1 ZINC001368202848 1148323270 /nfs/dbraw/zinc/32/32/70/1148323270.db2.gz WZQXPRJNYICUQQ-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)COCC(F)(F)F ZINC000422949837 230291108 /nfs/dbraw/zinc/29/11/08/230291108.db2.gz WUFCLXQRCKQGDU-NXEZZACHSA-N 1 3 305.344 2.467 20 0 DEADHO C[NH2+]CCCC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000237176648 290643697 /nfs/dbraw/zinc/64/36/97/290643697.db2.gz RXUPETHFNVWRAR-KRWDZBQOSA-N 1 3 303.450 2.248 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000433926364 282189884 /nfs/dbraw/zinc/18/98/84/282189884.db2.gz KNMBXOLXIKLKNG-DJIMGWMZSA-N 1 3 322.497 2.175 20 0 DEADHO CC[C@H]([NH2+]C[C@@H](CC(C)C)N1CCOCC1)[C@@H]1CCCCN1 ZINC000422801376 529611159 /nfs/dbraw/zinc/61/11/59/529611159.db2.gz FIAFKRDXKAGGQU-SQNIBIBYSA-N 1 3 311.514 2.244 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000417835851 529616001 /nfs/dbraw/zinc/61/60/01/529616001.db2.gz OHZXDRHKXTYCMI-ZWKOTPCHSA-N 1 3 311.429 2.108 20 0 DEADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448011760 529688329 /nfs/dbraw/zinc/68/83/29/529688329.db2.gz QOBVIQNSCJFSJR-GJZGRUSLSA-N 1 3 312.502 2.136 20 0 DEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448011760 529688331 /nfs/dbraw/zinc/68/83/31/529688331.db2.gz QOBVIQNSCJFSJR-GJZGRUSLSA-N 1 3 312.502 2.136 20 0 DEADHO Cc1ccccc1C[C@@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000625289631 365715753 /nfs/dbraw/zinc/71/57/53/365715753.db2.gz SGGFOSNGDVTNOC-QGZVFWFLSA-N 1 3 319.493 2.125 20 0 DEADHO CN1CCCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000455868768 282225812 /nfs/dbraw/zinc/22/58/12/282225812.db2.gz WFYZQCBLVZZUHC-QGZVFWFLSA-N 1 3 316.449 2.405 20 0 DEADHO CN1CCC[C@H]1CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455918290 282226321 /nfs/dbraw/zinc/22/63/21/282226321.db2.gz LAMLVXVOMWCKEZ-DOTOQJQBSA-N 1 3 316.449 2.451 20 0 DEADHO C[C@@H]1C[N@@H+](CC2CCN(Cc3cccn3C)CC2)C[C@H](C)O1 ZINC000092587551 185327447 /nfs/dbraw/zinc/32/74/47/185327447.db2.gz AQSSMWZRZNKOQQ-IYBDPMFKSA-N 1 3 305.466 2.346 20 0 DEADHO C[C@@H]1C[N@H+](CC2CCN(Cc3cccn3C)CC2)C[C@H](C)O1 ZINC000092587551 185327448 /nfs/dbraw/zinc/32/74/48/185327448.db2.gz AQSSMWZRZNKOQQ-IYBDPMFKSA-N 1 3 305.466 2.346 20 0 DEADHO CN1CCN(CC[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1(C)C ZINC000441360831 529772179 /nfs/dbraw/zinc/77/21/79/529772179.db2.gz YJGZJHXNGVNQOM-QZTJIDSGSA-N 1 3 301.478 2.406 20 0 DEADHO CN(CCCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422757038 529891851 /nfs/dbraw/zinc/89/18/51/529891851.db2.gz JEYOHVMISYTDDE-GBESFXJTSA-N 1 3 317.477 2.260 20 0 DEADHO CN1CCC(Oc2ccc(CN[C@H]3CCC[C@@H]3[NH3+])cc2)CC1 ZINC000423105444 530051004 /nfs/dbraw/zinc/05/10/04/530051004.db2.gz NIFQUWCXZTYVEY-ROUUACIJSA-N 1 3 303.450 2.129 20 0 DEADHO C[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1CN(C)CCO1 ZINC000090575225 539417761 /nfs/dbraw/zinc/41/77/61/539417761.db2.gz QZPXNYQNCYLEGV-QAPCUYQASA-N 1 3 309.498 2.092 20 0 DEADHO C[C@H](NC(=O)NC(C)(C)CC[NH3+])[C@@H](c1ccccc1)N(C)C ZINC000422623448 299142604 /nfs/dbraw/zinc/14/26/04/299142604.db2.gz VQTHDXSGOQXNKS-ZFWWWQNUSA-N 1 3 306.454 2.104 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000162265898 539596767 /nfs/dbraw/zinc/59/67/67/539596767.db2.gz VWUOLVXYNCWAGX-CHWSQXEVSA-N 1 3 315.417 2.494 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)C1 ZINC000253549716 282599324 /nfs/dbraw/zinc/59/93/24/282599324.db2.gz LEIMSHMXBWDXDX-NCOADZHNSA-N 1 3 309.498 2.438 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1ccsc1 ZINC000236829598 539740707 /nfs/dbraw/zinc/74/07/07/539740707.db2.gz YSZYAONXPGMQFC-ILXRZTDVSA-N 1 3 309.479 2.375 20 0 DEADHO O=C(NC[C@@H]1CCCC[NH2+]1)c1cccc(CN2CCCC2)c1 ZINC000237921953 539750981 /nfs/dbraw/zinc/75/09/81/539750981.db2.gz QVALJLJTVXJLKQ-KRWDZBQOSA-N 1 3 301.434 2.154 20 0 DEADHO C[C@@H](CN(C)C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000287094534 219309523 /nfs/dbraw/zinc/30/95/23/219309523.db2.gz PPYGVNVXFKCFGK-JCHJZTRSSA-N 1 3 301.478 2.437 20 0 DEADHO CN1CCCN(CCC[NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000247034089 539768264 /nfs/dbraw/zinc/76/82/64/539768264.db2.gz NTOUTRBMXLEHEE-SFHVURJKSA-N 1 3 305.441 2.430 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)N1[C@H](C)CC[C@@H]1C ZINC000616994819 362985862 /nfs/dbraw/zinc/98/58/62/362985862.db2.gz FXWHROKBKBSBJD-XUWVNRHRSA-N 1 3 309.498 2.484 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)N1[C@H](C)CC[C@@H]1C ZINC000616994819 362985867 /nfs/dbraw/zinc/98/58/67/362985867.db2.gz FXWHROKBKBSBJD-XUWVNRHRSA-N 1 3 309.498 2.484 20 0 DEADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCN1CCC(C)CC1 ZINC000351653162 295819927 /nfs/dbraw/zinc/81/99/27/295819927.db2.gz UNASZOWORROQMB-INIZCTEOSA-N 1 3 324.513 2.090 20 0 DEADHO CCN(CCN1CCCC1=O)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062640 366031650 /nfs/dbraw/zinc/03/16/50/366031650.db2.gz ZUKAKRMWFBEZFQ-UHFFFAOYSA-N 1 3 303.450 2.193 20 0 DEADHO CCC1(N2CCOCC2)CC[NH+](CC[C@H]2CCCN2C)CC1 ZINC000626088873 366043305 /nfs/dbraw/zinc/04/33/05/366043305.db2.gz QVAMMELKTPWQND-QGZVFWFLSA-N 1 3 309.498 2.048 20 0 DEADHO C[NH+]1CCC(C)(CNCc2cnn(CC(F)(F)F)c2)CC1 ZINC000315005689 539884024 /nfs/dbraw/zinc/88/40/24/539884024.db2.gz VKRFMTPEXZKSIM-UHFFFAOYSA-N 1 3 304.360 2.267 20 0 DEADHO c1ccc(CN2CCC(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000339066369 539985665 /nfs/dbraw/zinc/98/56/65/539985665.db2.gz AQIOKZBZCHRVPQ-HKUYNNGSSA-N 1 3 314.477 2.262 20 0 DEADHO c1ccc(CN2CCC(N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000339066369 539985670 /nfs/dbraw/zinc/98/56/70/539985670.db2.gz AQIOKZBZCHRVPQ-HKUYNNGSSA-N 1 3 314.477 2.262 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000047104838 354306438 /nfs/dbraw/zinc/30/64/38/354306438.db2.gz OIIJPUPPOXQDFS-IAGOWNOFSA-N 1 3 316.449 2.497 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000047104838 354306441 /nfs/dbraw/zinc/30/64/41/354306441.db2.gz OIIJPUPPOXQDFS-IAGOWNOFSA-N 1 3 316.449 2.497 20 0 DEADHO C[C@@H](CC[NH+](C)C)NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000062504491 354635656 /nfs/dbraw/zinc/63/56/56/354635656.db2.gz IBZJFKJWKDUCGS-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO CC[NH+](CC)C[C@H](C)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000362268908 540107929 /nfs/dbraw/zinc/10/79/29/540107929.db2.gz LTABPPZXOURUIR-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO CN1CCC[C@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])[C@H]1c1cccs1 ZINC000372105070 540116281 /nfs/dbraw/zinc/11/62/81/540116281.db2.gz GCFJCWGKZNNELG-NYTXWWLZSA-N 1 3 321.490 2.375 20 0 DEADHO O=C(c1cccc2c1CCNC2)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000391479634 540136805 /nfs/dbraw/zinc/13/68/05/540136805.db2.gz XCXSRTFUYQASFV-MRXNPFEDSA-N 1 3 313.445 2.033 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(C[NH3+])c1 ZINC000394332193 540138168 /nfs/dbraw/zinc/13/81/68/540138168.db2.gz TYHMGQQQTHCCMK-CVEARBPZSA-N 1 3 302.422 2.236 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000079944974 355337408 /nfs/dbraw/zinc/33/74/08/355337408.db2.gz SSYHTMABHPSYIY-AEFFLSMTSA-N 1 3 317.477 2.496 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000079944974 355337410 /nfs/dbraw/zinc/33/74/10/355337410.db2.gz SSYHTMABHPSYIY-AEFFLSMTSA-N 1 3 317.477 2.496 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000081290247 355416800 /nfs/dbraw/zinc/41/68/00/355416800.db2.gz IJKCFMHSJSQABT-IAGOWNOFSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000081290247 355416804 /nfs/dbraw/zinc/41/68/04/355416804.db2.gz IJKCFMHSJSQABT-IAGOWNOFSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000430912909 540176161 /nfs/dbraw/zinc/17/61/61/540176161.db2.gz PSBAFVRITJWSNW-IMJJTQAJSA-N 1 3 303.450 2.359 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+](C)C[C@H]2CCOC2)CC1 ZINC000093840199 355688997 /nfs/dbraw/zinc/68/89/97/355688997.db2.gz WGHHMZOLFZRWRC-QGZVFWFLSA-N 1 3 317.477 2.297 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+](C)C[C@H]2CCOC2)CC1 ZINC000093840199 355688998 /nfs/dbraw/zinc/68/89/98/355688998.db2.gz WGHHMZOLFZRWRC-QGZVFWFLSA-N 1 3 317.477 2.297 20 0 DEADHO C[C@@H]1C[C@H](NCCc2nnc(-c3ccccc3)o2)CC[N@@H+]1C ZINC000181562087 356086209 /nfs/dbraw/zinc/08/62/09/356086209.db2.gz KPKFDJFRBRXQCM-UKRRQHHQSA-N 1 3 300.406 2.351 20 0 DEADHO C[C@@H]1C[C@H](NCCc2nnc(-c3ccccc3)o2)CC[N@H+]1C ZINC000181562087 356086212 /nfs/dbraw/zinc/08/62/12/356086212.db2.gz KPKFDJFRBRXQCM-UKRRQHHQSA-N 1 3 300.406 2.351 20 0 DEADHO COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCN(C)C1 ZINC000183567392 356176606 /nfs/dbraw/zinc/17/66/06/356176606.db2.gz BQZHNQZNOQDWKQ-LSDHHAIUSA-N 1 3 320.433 2.231 20 0 DEADHO C[C@@H](Cn1cccn1)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000237395067 356297454 /nfs/dbraw/zinc/29/74/54/356297454.db2.gz KCDGFSSJJCCSBQ-HNNXBMFYSA-N 1 3 302.422 2.002 20 0 DEADHO C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000237395067 356297456 /nfs/dbraw/zinc/29/74/56/356297456.db2.gz KCDGFSSJJCCSBQ-HNNXBMFYSA-N 1 3 302.422 2.002 20 0 DEADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H]2CCCCN2)C1 ZINC000263254608 356344491 /nfs/dbraw/zinc/34/44/91/356344491.db2.gz KLBRRPFAYMILIU-GVDBMIGSSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H]2CCCCN2)C1 ZINC000263254608 356344498 /nfs/dbraw/zinc/34/44/98/356344498.db2.gz KLBRRPFAYMILIU-GVDBMIGSSA-N 1 3 307.482 2.242 20 0 DEADHO C[NH2+]CC1CCN(Cc2cc3c(cc2OC)C[C@@H](C)O3)CC1 ZINC000316804597 356430295 /nfs/dbraw/zinc/43/02/95/356430295.db2.gz DFPRUMYRYUSXPF-CYBMUJFWSA-N 1 3 304.434 2.450 20 0 DEADHO CCC[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000236840728 202034150 /nfs/dbraw/zinc/03/41/50/202034150.db2.gz IBFCNPGPMHCCCH-FBVQUNGASA-N 1 3 315.461 2.426 20 0 DEADHO CCC[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000236840728 202034153 /nfs/dbraw/zinc/03/41/53/202034153.db2.gz IBFCNPGPMHCCCH-FBVQUNGASA-N 1 3 315.461 2.426 20 0 DEADHO CC[N@H+](C)Cc1cccc(CNC(=O)C2(N)CCCCC2)c1 ZINC000236875998 202048731 /nfs/dbraw/zinc/04/87/31/202048731.db2.gz DXCDTKKYFVEYIM-UHFFFAOYSA-N 1 3 303.450 2.416 20 0 DEADHO CC[N@@H+](C)Cc1cccc(CNC(=O)C2(N)CCCCC2)c1 ZINC000236875998 202048734 /nfs/dbraw/zinc/04/87/34/202048734.db2.gz DXCDTKKYFVEYIM-UHFFFAOYSA-N 1 3 303.450 2.416 20 0 DEADHO CN(C)C[C@H](NC(=O)C[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423771354 283200123 /nfs/dbraw/zinc/20/01/23/283200123.db2.gz JDZCMBOYXQEXSU-CABCVRRESA-N 1 3 309.841 2.201 20 0 DEADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000237065765 202141244 /nfs/dbraw/zinc/14/12/44/202141244.db2.gz VTMRBPXSLPLBCO-OAHLLOKOSA-N 1 3 301.434 2.385 20 0 DEADHO C[NH2+]C[C@H](C)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000237066228 202141598 /nfs/dbraw/zinc/14/15/98/202141598.db2.gz VKUPBJUGSRDCIM-NSHDSACASA-N 1 3 313.829 2.074 20 0 DEADHO CC(C)[NH2+]CC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000382763031 356677561 /nfs/dbraw/zinc/67/75/61/356677561.db2.gz NIOCEXDMRUCYBP-INIZCTEOSA-N 1 3 303.450 2.107 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000382728360 356677977 /nfs/dbraw/zinc/67/79/77/356677977.db2.gz XECFGVYSVNQKCY-SJLPKXTDSA-N 1 3 315.461 2.252 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](C)[C@@H]3C)CC2)CC1 ZINC000578377349 356806516 /nfs/dbraw/zinc/80/65/16/356806516.db2.gz MLKCEFCYYXBZIQ-HOTGVXAUSA-N 1 3 321.509 2.440 20 0 DEADHO CCOC[C@H](O)CNCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000578498635 356827146 /nfs/dbraw/zinc/82/71/46/356827146.db2.gz AZCAKPCHZCUTEW-LJQANCHMSA-N 1 3 320.477 2.406 20 0 DEADHO CN(C)Cc1ccc(-c2ccccc2C[NH2+]CCC(N)=O)cc1 ZINC000579463067 356977729 /nfs/dbraw/zinc/97/77/29/356977729.db2.gz AYXKRHZAMJHOHF-UHFFFAOYSA-N 1 3 311.429 2.380 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C[C@@H](N)Cc1ccccc1 ZINC000580830992 357086706 /nfs/dbraw/zinc/08/67/06/357086706.db2.gz XJYKBDALVOAMID-AEFFLSMTSA-N 1 3 317.477 2.327 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C[C@@H](N)Cc1ccccc1 ZINC000580830992 357086710 /nfs/dbraw/zinc/08/67/10/357086710.db2.gz XJYKBDALVOAMID-AEFFLSMTSA-N 1 3 317.477 2.327 20 0 DEADHO Cn1nccc1N1CCC[C@H]([NH2+][C@H]2C[C@@H](N)c3ccccc32)C1 ZINC000581601924 357213545 /nfs/dbraw/zinc/21/35/45/357213545.db2.gz ZSDYODYWDQFEKK-XKQJLSEDSA-N 1 3 311.433 2.123 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000581640170 357219154 /nfs/dbraw/zinc/21/91/54/357219154.db2.gz DAPAVMPWOOGCGG-KFWWJZLASA-N 1 3 310.486 2.031 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000581640170 357219159 /nfs/dbraw/zinc/21/91/59/357219159.db2.gz DAPAVMPWOOGCGG-KFWWJZLASA-N 1 3 310.486 2.031 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H](C)C[C@@H](C)[NH3+])N(C)C ZINC000581665845 357226008 /nfs/dbraw/zinc/22/60/08/357226008.db2.gz JYTYSTGDNIZYNU-AESZEHBQSA-N 1 3 320.481 2.411 20 0 DEADHO CC[NH2+]CCCNC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000581419035 357184025 /nfs/dbraw/zinc/18/40/25/357184025.db2.gz XWPBDSDCIVZBBT-KRWDZBQOSA-N 1 3 314.433 2.138 20 0 DEADHO C[N@H+](CC(=O)N[C@H]1CCN(Cc2ccccc2)C1)CC(C)(C)C ZINC000591470701 357728416 /nfs/dbraw/zinc/72/84/16/357728416.db2.gz SMJGLXQHMSTODL-KRWDZBQOSA-N 1 3 317.477 2.355 20 0 DEADHO C[N@@H+](CC(=O)N[C@H]1CCN(Cc2ccccc2)C1)CC(C)(C)C ZINC000591470701 357728418 /nfs/dbraw/zinc/72/84/18/357728418.db2.gz SMJGLXQHMSTODL-KRWDZBQOSA-N 1 3 317.477 2.355 20 0 DEADHO CC[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)C(=O)NC ZINC000449769618 283280032 /nfs/dbraw/zinc/28/00/32/283280032.db2.gz DRGNOOPRLJBKAX-XWTMOSNGSA-N 1 3 315.461 2.011 20 0 DEADHO CCOC(=O)C1([C@H](C)N[C@H](C)c2c(C)noc2C)CC[NH2+]CC1 ZINC000591566837 357737168 /nfs/dbraw/zinc/73/71/68/357737168.db2.gz XTHVEFUWNRFVOW-RISCZKNCSA-N 1 3 323.437 2.263 20 0 DEADHO CCOC(=O)C1([C@@H](C)N[C@H](C)c2c(C)noc2C)CC[NH2+]CC1 ZINC000591566830 357737184 /nfs/dbraw/zinc/73/71/84/357737184.db2.gz XTHVEFUWNRFVOW-BXUZGUMPSA-N 1 3 323.437 2.263 20 0 DEADHO CC[NH2+]CC1CCN(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000655973888 540297454 /nfs/dbraw/zinc/29/74/54/540297454.db2.gz KCTDFKINGTWGDH-IAGOWNOFSA-N 1 3 322.497 2.034 20 0 DEADHO CN(CC1CC[NH+](C)CC1)C(=O)C[C@@H]1NCc2ccccc21 ZINC000662821982 540334848 /nfs/dbraw/zinc/33/48/48/540334848.db2.gz KXKQGYPINFDVCF-KRWDZBQOSA-N 1 3 301.434 2.021 20 0 DEADHO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)c1cccc2c1CCNC2 ZINC000662824604 540335463 /nfs/dbraw/zinc/33/54/63/540335463.db2.gz XHGGODPRGPFMSP-LJQANCHMSA-N 1 3 321.424 2.031 20 0 DEADHO CCC[N@H+](C)CC(C)(C)NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000665270000 540349284 /nfs/dbraw/zinc/34/92/84/540349284.db2.gz QHWWCWWOSPIGBO-CVEARBPZSA-N 1 3 324.513 2.423 20 0 DEADHO CCC[N@@H+](C)CC(C)(C)NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000665270000 540349288 /nfs/dbraw/zinc/34/92/88/540349288.db2.gz QHWWCWWOSPIGBO-CVEARBPZSA-N 1 3 324.513 2.423 20 0 DEADHO CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1 ZINC000179951349 199097790 /nfs/dbraw/zinc/09/77/90/199097790.db2.gz XUMHFTDGHGKREU-JJRVBVJISA-N 1 3 324.490 2.299 20 0 DEADHO CCCN1CC[C@@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000666925669 540364615 /nfs/dbraw/zinc/36/46/15/540364615.db2.gz BERYIFWAALZQRF-IAGOWNOFSA-N 1 3 322.497 2.131 20 0 DEADHO CN(Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000666945445 540367949 /nfs/dbraw/zinc/36/79/49/540367949.db2.gz QOBJMYXWNVWHRN-IRXDYDNUSA-N 1 3 307.457 2.434 20 0 DEADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3cnc4ccccn34)CC2)C1 ZINC000667054061 540387916 /nfs/dbraw/zinc/38/79/16/540387916.db2.gz BZAFGAKJUUCATF-WBVHZDCISA-N 1 3 314.433 2.053 20 0 DEADHO COc1ccc(COCCN2CCC(C[NH+](C)C)CC2)cc1 ZINC000594877646 358352113 /nfs/dbraw/zinc/35/21/13/358352113.db2.gz GJQPNJZBCJORAY-UHFFFAOYSA-N 1 3 306.450 2.485 20 0 DEADHO C[C@@H]1CN(C(=O)Nc2cccc(C[NH3+])c2)CCN(C2CCC2)C1 ZINC000667734212 540516791 /nfs/dbraw/zinc/51/67/91/540516791.db2.gz UOBOOLCMVXHYOI-AWEZNQCLSA-N 1 3 316.449 2.483 20 0 DEADHO CC1=CCN(CCNC(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000667850027 540539182 /nfs/dbraw/zinc/53/91/82/540539182.db2.gz YCDFOSKAUDDGEI-UHFFFAOYSA-N 1 3 300.406 2.063 20 0 DEADHO CN1CC[C@@]2(CC[N@H+](Cc3ccc(O[C@@H]4CCOC4)cc3)C2)C1 ZINC000668188808 540611028 /nfs/dbraw/zinc/61/10/28/540611028.db2.gz PEKDFTXYVJSHMU-RTBURBONSA-N 1 3 316.445 2.382 20 0 DEADHO CN1CC[C@@]2(CC[N@@H+](Cc3ccc(O[C@@H]4CCOC4)cc3)C2)C1 ZINC000668188808 540611030 /nfs/dbraw/zinc/61/10/30/540611030.db2.gz PEKDFTXYVJSHMU-RTBURBONSA-N 1 3 316.445 2.382 20 0 DEADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2(N)CCC2)C1 ZINC000449322467 240356210 /nfs/dbraw/zinc/35/62/10/240356210.db2.gz PLVDERFRRZBANG-OAHLLOKOSA-N 1 3 315.461 2.416 20 0 DEADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2(N)CCC2)C1 ZINC000449322467 240356220 /nfs/dbraw/zinc/35/62/20/240356220.db2.gz PLVDERFRRZBANG-OAHLLOKOSA-N 1 3 315.461 2.416 20 0 DEADHO C[C@@H](Cc1ccccc1F)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000187750650 200152738 /nfs/dbraw/zinc/15/27/38/200152738.db2.gz ARXFIAZQZBQRJB-HNNXBMFYSA-N 1 3 307.457 2.372 20 0 DEADHO C[C@H]([NH3+])CCC(=O)NCc1ccccc1CN1CCCCC1 ZINC000434698433 237639665 /nfs/dbraw/zinc/63/96/65/237639665.db2.gz FQYZCZXPYLTGMM-HNNXBMFYSA-N 1 3 303.450 2.416 20 0 DEADHO C[C@H](C(=O)NCc1ccc2c(c1)C[NH2+]C2)[C@H](N)c1ccccc1 ZINC000188724050 200293983 /nfs/dbraw/zinc/29/39/83/200293983.db2.gz ZQPYKWLMBFXWSW-UGSOOPFHSA-N 1 3 309.413 2.242 20 0 DEADHO CN(Cc1ccc(OCC[NH+](C)C)cc1)CC1=CCCOC1 ZINC000668569138 540690289 /nfs/dbraw/zinc/69/02/89/540690289.db2.gz SWXHWLVHHQNTSZ-UHFFFAOYSA-N 1 3 304.434 2.406 20 0 DEADHO CC[NH+]1CCC(CCNCc2ccc(C(=O)OC)n2C)CC1 ZINC000602012315 360239059 /nfs/dbraw/zinc/23/90/59/360239059.db2.gz TWPGYFUOTRDOJI-UHFFFAOYSA-N 1 3 307.438 2.023 20 0 DEADHO CC[C@@H]1CN(C(=O)NCC(C)(C)N2CCCCC2)CC[C@@H]1[NH3+] ZINC000668634154 540701380 /nfs/dbraw/zinc/70/13/80/540701380.db2.gz RCDPNBDTWICCAB-CABCVRRESA-N 1 3 310.486 2.020 20 0 DEADHO C[NH+](C)CCC[C@@H]1CN(CC2Cc3ccccc3C2)CCO1 ZINC000668785176 540728894 /nfs/dbraw/zinc/72/88/94/540728894.db2.gz MWDMSTCKOKLFNE-LJQANCHMSA-N 1 3 302.462 2.444 20 0 DEADHO Cc1nc(C)c([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)s1 ZINC000442868069 238086112 /nfs/dbraw/zinc/08/61/12/238086112.db2.gz BNBQHRIMUQNDAR-GFCCVEGCSA-N 1 3 310.511 2.437 20 0 DEADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000417003161 296023472 /nfs/dbraw/zinc/02/34/72/296023472.db2.gz BFDJNCOCDUUSNX-FPCVCCKLSA-N 1 3 310.486 2.018 20 0 DEADHO C[C@H]([NH3+])CCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669483561 540841765 /nfs/dbraw/zinc/84/17/65/540841765.db2.gz BFVJUHCQDVNAOQ-RDJZCZTQSA-N 1 3 318.465 2.250 20 0 DEADHO CCCN(C(=O)N[C@@H](CC)CN1CCCC1)C1CC[NH2+]CC1 ZINC000669530258 540854265 /nfs/dbraw/zinc/85/42/65/540854265.db2.gz XYLOBFHVPUNGDK-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@H](NC(=O)N[C@@H]1CCC[NH2+]CC1)[C@H](c1ccccc1)N(C)C ZINC000669583342 540868682 /nfs/dbraw/zinc/86/86/82/540868682.db2.gz KNRFBQZJYMYZHB-USXIJHARSA-N 1 3 318.465 2.119 20 0 DEADHO CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccc(CN(C)C)cc1 ZINC000605520627 360975223 /nfs/dbraw/zinc/97/52/23/360975223.db2.gz NBTBZJWJGQHTBG-QGZVFWFLSA-N 1 3 303.450 2.352 20 0 DEADHO C[C@@H]([NH3+])CCC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000193307572 201025536 /nfs/dbraw/zinc/02/55/36/201025536.db2.gz VGFZGIQPVSYOOA-CQSZACIVSA-N 1 3 321.490 2.344 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CC2CC2)C1 ZINC001120440974 781939664 /nfs/dbraw/zinc/93/96/64/781939664.db2.gz VXCDUAZGLNYUMG-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CC2CC2)C1 ZINC001120440974 781939674 /nfs/dbraw/zinc/93/96/74/781939674.db2.gz VXCDUAZGLNYUMG-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)N(C)C ZINC000193353525 201037475 /nfs/dbraw/zinc/03/74/75/201037475.db2.gz RQNWKSMKMCMYRH-MIGBEJBISA-N 1 3 315.461 2.248 20 0 DEADHO CO[C@H]1CCC[C@@H](NCc2ccncc2OCCC[NH+](C)C)C1 ZINC000673852072 541151709 /nfs/dbraw/zinc/15/17/09/541151709.db2.gz ZZXUNUOWZZRPDI-SJORKVTESA-N 1 3 321.465 2.459 20 0 DEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448261278 239300296 /nfs/dbraw/zinc/30/02/96/239300296.db2.gz OXOBDUNZXJXYBP-PMPSAXMXSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448261278 239300303 /nfs/dbraw/zinc/30/03/03/239300303.db2.gz OXOBDUNZXJXYBP-PMPSAXMXSA-N 1 3 324.513 2.088 20 0 DEADHO CCCN1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000619900708 363898882 /nfs/dbraw/zinc/89/88/82/363898882.db2.gz YFKGGNAPFCXYHP-JKSUJKDBSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000619900708 363898885 /nfs/dbraw/zinc/89/88/85/363898885.db2.gz YFKGGNAPFCXYHP-JKSUJKDBSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000620931602 364205980 /nfs/dbraw/zinc/20/59/80/364205980.db2.gz JABIYUIQZCHPEA-GASCZTMLSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@@H]1CN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC[NH2+]1 ZINC000621152161 364280569 /nfs/dbraw/zinc/28/05/69/364280569.db2.gz QMWSBVQFJGDLIA-ZWKOTPCHSA-N 1 3 315.461 2.107 20 0 DEADHO COCC[N@H+](C)CCCC1CCN(Cc2nccnc2C)CC1 ZINC000621718403 364523913 /nfs/dbraw/zinc/52/39/13/364523913.db2.gz GNGUTVDPTRWGTQ-UHFFFAOYSA-N 1 3 320.481 2.355 20 0 DEADHO COCC[N@@H+](C)CCCC1CCN(Cc2nccnc2C)CC1 ZINC000621718403 364523919 /nfs/dbraw/zinc/52/39/19/364523919.db2.gz GNGUTVDPTRWGTQ-UHFFFAOYSA-N 1 3 320.481 2.355 20 0 DEADHO C[C@@H]([NH2+][C@H]1CCCN(C)C1)c1ccc(OCCN(C)C)cc1 ZINC000675765660 541381467 /nfs/dbraw/zinc/38/14/67/541381467.db2.gz DNNQIJYSWPFZLK-WBVHZDCISA-N 1 3 305.466 2.372 20 0 DEADHO C[C@@H]1C[C@H](NCCNC(=O)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000675780146 541381706 /nfs/dbraw/zinc/38/17/06/541381706.db2.gz CCZSGVFITZROBY-IUODEOHRSA-N 1 3 309.841 2.142 20 0 DEADHO C[C@@H]1C[C@H](NCCNC(=O)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000675780146 541381708 /nfs/dbraw/zinc/38/17/08/541381708.db2.gz CCZSGVFITZROBY-IUODEOHRSA-N 1 3 309.841 2.142 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000623062718 364872525 /nfs/dbraw/zinc/87/25/25/364872525.db2.gz YQHURHHGZUZKAG-INIZCTEOSA-N 1 3 304.438 2.387 20 0 DEADHO COc1cccc2c(C[NH2+]C[C@@H](O)CN3CCCC3)cccc12 ZINC000449095543 240050984 /nfs/dbraw/zinc/05/09/84/240050984.db2.gz ZHBCWMUKHWPAMG-MRXNPFEDSA-N 1 3 314.429 2.395 20 0 DEADHO Cc1cc(C[NH2+]C[C@H]2CCCCN(C)C2)ccc1-n1cncn1 ZINC000623656615 365118746 /nfs/dbraw/zinc/11/87/46/365118746.db2.gz YLTKXHZVCTZZDX-QGZVFWFLSA-N 1 3 313.449 2.397 20 0 DEADHO CCC[N@@H+](Cc1ccc(OC)cc1)C[C@H]1CCC2(CNC2)O1 ZINC000629574775 367257098 /nfs/dbraw/zinc/25/70/98/367257098.db2.gz KNHFDXTZBWSDRZ-QGZVFWFLSA-N 1 3 304.434 2.428 20 0 DEADHO CCC[N@H+](Cc1ccc(OC)cc1)C[C@H]1CCC2(CNC2)O1 ZINC000629574775 367257107 /nfs/dbraw/zinc/25/71/07/367257107.db2.gz KNHFDXTZBWSDRZ-QGZVFWFLSA-N 1 3 304.434 2.428 20 0 DEADHO CN(CCOCC[NH3+])CCC(=O)Nc1cccc2ccccc21 ZINC000629579430 367258129 /nfs/dbraw/zinc/25/81/29/367258129.db2.gz NEKXRJYNJOVOAV-UHFFFAOYSA-N 1 3 315.417 2.076 20 0 DEADHO O[C@H](CNCC1(Cc2ccc(F)cc2)CC1)C[NH+]1CCCC1 ZINC000629575745 367258356 /nfs/dbraw/zinc/25/83/56/367258356.db2.gz QJFINXGZKSGENC-QGZVFWFLSA-N 1 3 306.425 2.195 20 0 DEADHO CN(C)CCOCC[NH2+]CC1(O)CCC(c2ccccc2)CC1 ZINC000629577211 367259248 /nfs/dbraw/zinc/25/92/48/367259248.db2.gz WXMRFZUHMASSOJ-UHFFFAOYSA-N 1 3 320.477 2.243 20 0 DEADHO CN(CC(=O)N(CC[NH+](C)C)Cc1ccccc1)C1CCC1 ZINC000629946430 367389618 /nfs/dbraw/zinc/38/96/18/367389618.db2.gz NSBFWTMXWQJWML-UHFFFAOYSA-N 1 3 303.450 2.061 20 0 DEADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC000629954597 367396494 /nfs/dbraw/zinc/39/64/94/367396494.db2.gz QMJKBRUKPPVFEK-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[N@H+](C)Cc1ccccc1 ZINC000629966494 367405689 /nfs/dbraw/zinc/40/56/89/367405689.db2.gz YCUDRKNUYXDXRX-MRXNPFEDSA-N 1 3 317.477 2.498 20 0 DEADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[N@@H+](C)Cc1ccccc1 ZINC000629966494 367405693 /nfs/dbraw/zinc/40/56/93/367405693.db2.gz YCUDRKNUYXDXRX-MRXNPFEDSA-N 1 3 317.477 2.498 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+][C@H]2CCO[C@H]2C2CC2)cc1 ZINC000677695822 541616906 /nfs/dbraw/zinc/61/69/06/541616906.db2.gz TXSFYLBBELGTAL-ROUUACIJSA-N 1 3 304.434 2.284 20 0 DEADHO O=c1ccc(CNC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c[nH]1 ZINC000631062693 367997072 /nfs/dbraw/zinc/99/70/72/367997072.db2.gz RPLCWYSEDDZTKB-SFHVURJKSA-N 1 3 311.429 2.441 20 0 DEADHO O=c1ccc(CNC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c[nH]1 ZINC000631062693 367997080 /nfs/dbraw/zinc/99/70/80/367997080.db2.gz RPLCWYSEDDZTKB-SFHVURJKSA-N 1 3 311.429 2.441 20 0 DEADHO O=c1ccc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)c[nH]1 ZINC000631062693 367997085 /nfs/dbraw/zinc/99/70/85/367997085.db2.gz RPLCWYSEDDZTKB-SFHVURJKSA-N 1 3 311.429 2.441 20 0 DEADHO CC[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc(OC)c1OC ZINC000631581592 368296549 /nfs/dbraw/zinc/29/65/49/368296549.db2.gz HIKJDBDWBCEALR-OAHLLOKOSA-N 1 3 322.449 2.201 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000678241469 541697225 /nfs/dbraw/zinc/69/72/25/541697225.db2.gz UFJCHMKEVIDBJY-KRWDZBQOSA-N 1 3 306.450 2.485 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000678241469 541697228 /nfs/dbraw/zinc/69/72/28/541697228.db2.gz UFJCHMKEVIDBJY-KRWDZBQOSA-N 1 3 306.450 2.485 20 0 DEADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCCC12CCN(C)CC2 ZINC000678198885 541692160 /nfs/dbraw/zinc/69/21/60/541692160.db2.gz GFDMGWBUOKMPKK-MRXNPFEDSA-N 1 3 322.497 2.131 20 0 DEADHO C[C@H](CN1CCOCC1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000678714447 541758150 /nfs/dbraw/zinc/75/81/50/541758150.db2.gz BCHKLNFATFCSHR-GOSISDBHSA-N 1 3 323.525 2.295 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H](C)[C@H](N)c2ccccc2)C1 ZINC000262683529 203380721 /nfs/dbraw/zinc/38/07/21/203380721.db2.gz ZCBGHPAOAPUQGP-NUJGCVRESA-N 1 3 317.477 2.417 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H](C)[C@H](N)c2ccccc2)C1 ZINC000262683529 203380724 /nfs/dbraw/zinc/38/07/24/203380724.db2.gz ZCBGHPAOAPUQGP-NUJGCVRESA-N 1 3 317.477 2.417 20 0 DEADHO [NH3+][C@@H]1CC[C@H](C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000262658118 203369130 /nfs/dbraw/zinc/36/91/30/203369130.db2.gz DMGQCPFCDASACQ-GVDBMIGSSA-N 1 3 301.434 2.067 20 0 DEADHO CCC[C@](C)([NH3+])C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000262693896 203385085 /nfs/dbraw/zinc/38/50/85/203385085.db2.gz BRQUNNZCUYZNMT-AEFFLSMTSA-N 1 3 303.450 2.285 20 0 DEADHO CCO[C@@H]1COC[C@H]1N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000453380974 245104063 /nfs/dbraw/zinc/10/40/63/245104063.db2.gz ZZYIWUBXFDSCPO-BMGDILEWSA-N 1 3 322.449 2.082 20 0 DEADHO O=C(Nc1ccc2c(c1F)CCNC2)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000261689373 284336964 /nfs/dbraw/zinc/33/69/64/284336964.db2.gz IEZQTUZFEWMHOU-WPGHFRTFSA-N 1 3 317.408 2.331 20 0 DEADHO O=C1[C@H](N2CCC([C@@H]3CC[NH2+]C3)CC2)CCN1C1CCCCC1 ZINC000530222605 284377921 /nfs/dbraw/zinc/37/79/21/284377921.db2.gz SBXHOGJERIFQKA-SJLPKXTDSA-N 1 3 319.493 2.242 20 0 DEADHO C[C@@H](CCNC(=O)N[C@H]1CCN(CC2CC2)C1)[NH+]1CCCCC1 ZINC000680281335 541977431 /nfs/dbraw/zinc/97/74/31/541977431.db2.gz HAJRERSRQJBLGV-RDJZCZTQSA-N 1 3 322.497 2.034 20 0 DEADHO CC(C)N1CC[C@H](N(C)C(=O)NC[C@H](C)C[NH+]2CCCCC2)C1 ZINC000457900207 248063859 /nfs/dbraw/zinc/06/38/59/248063859.db2.gz CBNWSXNCVSKGCG-IRXDYDNUSA-N 1 3 324.513 2.233 20 0 DEADHO Cc1ccccc1[C@H](CO)[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000554550912 291770278 /nfs/dbraw/zinc/77/02/78/291770278.db2.gz KBIDOKRSIJRINL-IBGZPJMESA-N 1 3 319.493 2.034 20 0 DEADHO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000269041463 207191643 /nfs/dbraw/zinc/19/16/43/207191643.db2.gz GPHCHMHKKPFWJC-CABCVRRESA-N 1 3 306.450 2.156 20 0 DEADHO COC[C@H](CCO)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269053753 207202473 /nfs/dbraw/zinc/20/24/73/207202473.db2.gz YLJDOXJHPXPSMK-SZMVWBNQSA-N 1 3 306.450 2.027 20 0 DEADHO COC[C@H](CCO)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269053753 207202476 /nfs/dbraw/zinc/20/24/76/207202476.db2.gz YLJDOXJHPXPSMK-SZMVWBNQSA-N 1 3 306.450 2.027 20 0 DEADHO C[C@@](C[NH3+])(NC(=O)C1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000269221054 207339023 /nfs/dbraw/zinc/33/90/23/207339023.db2.gz RLVUYVYXZLTJKY-IBGZPJMESA-N 1 3 315.461 2.142 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)[C@@H](CN)c1ccccc1 ZINC000269234284 207359278 /nfs/dbraw/zinc/35/92/78/207359278.db2.gz FVIMYLGPOFZOOR-KRWDZBQOSA-N 1 3 305.466 2.357 20 0 DEADHO CCC[C@H](N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000269252099 207392106 /nfs/dbraw/zinc/39/21/06/207392106.db2.gz HKUAMLCHDOSQCX-XIRDDKMYSA-N 1 3 303.450 2.141 20 0 DEADHO CCC[C@H](N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000269252099 207392113 /nfs/dbraw/zinc/39/21/13/207392113.db2.gz HKUAMLCHDOSQCX-XIRDDKMYSA-N 1 3 303.450 2.141 20 0 DEADHO C[NH+](C)CCc1ccc(NC(=O)[C@@H](CN)c2ccccc2)cc1 ZINC000269252707 207393134 /nfs/dbraw/zinc/39/31/34/207393134.db2.gz QDLJZSUECVNWLG-SFHVURJKSA-N 1 3 311.429 2.472 20 0 DEADHO C[C@@H]([NH3+])[C@H]1COCC[C@H]1NC[C@@H](C)Oc1cccc(Cl)c1 ZINC000422920489 533003172 /nfs/dbraw/zinc/00/31/72/533003172.db2.gz MFQGTTUBDZEUAN-CZPYZCIJSA-N 1 3 312.841 2.449 20 0 DEADHO C[C@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(OCCN(C)C)cc1 ZINC000158139445 197247017 /nfs/dbraw/zinc/24/70/17/197247017.db2.gz TUOIZLHKRJJJAC-WMLDXEAASA-N 1 3 324.490 2.146 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000157890749 197224093 /nfs/dbraw/zinc/22/40/93/197224093.db2.gz CRNPKVHXTUZDRG-UHFFFAOYSA-N 1 3 312.502 2.231 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000157875078 197222301 /nfs/dbraw/zinc/22/23/01/197222301.db2.gz SNTGNQPYPMRHNW-WFASDCNBSA-N 1 3 315.417 2.352 20 0 DEADHO COCCOCc1ccc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000292717404 533142178 /nfs/dbraw/zinc/14/21/78/533142178.db2.gz DXLNQNFXPOZUKQ-IBGZPJMESA-N 1 3 318.461 2.377 20 0 DEADHO COCCOCc1ccc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000292717404 533142181 /nfs/dbraw/zinc/14/21/81/533142181.db2.gz DXLNQNFXPOZUKQ-IBGZPJMESA-N 1 3 318.461 2.377 20 0 DEADHO CC(C)C(=O)NCCN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000155767188 197075142 /nfs/dbraw/zinc/07/51/42/197075142.db2.gz ZBSMUKLPXRIGID-HNNXBMFYSA-N 1 3 321.465 2.050 20 0 DEADHO COc1ccc([C@H](NCCOCC[NH+](C)C)C2CC2)c(F)c1 ZINC000421843971 533195753 /nfs/dbraw/zinc/19/57/53/533195753.db2.gz SCCUGOLDPYMHFD-QGZVFWFLSA-N 1 3 310.413 2.453 20 0 DEADHO COc1ccc([C@H](NCCN(C)C(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422879502 533194034 /nfs/dbraw/zinc/19/40/34/533194034.db2.gz MEGGACSTCHXAJV-ROUUACIJSA-N 1 3 305.466 2.418 20 0 DEADHO C[C@@H](F)CC[NH2+]C1(C)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001368656482 1148555008 /nfs/dbraw/zinc/55/50/08/1148555008.db2.gz PGNUNUPFYSPGIQ-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]Cc2cncc(OC)c2)[C@@H](C)C1 ZINC000289625443 221111611 /nfs/dbraw/zinc/11/16/11/221111611.db2.gz BHXKRLFTYDRNIH-YJBOKZPZSA-N 1 3 321.465 2.317 20 0 DEADHO CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000544875701 285380270 /nfs/dbraw/zinc/38/02/70/285380270.db2.gz LHTWFVALFPZKBT-MSOLQXFVSA-N 1 3 315.461 2.061 20 0 DEADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000544875701 285380272 /nfs/dbraw/zinc/38/02/72/285380272.db2.gz LHTWFVALFPZKBT-MSOLQXFVSA-N 1 3 315.461 2.061 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N(C)C ZINC000684796000 542666131 /nfs/dbraw/zinc/66/61/31/542666131.db2.gz ZHFFNXQSFWQRQZ-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)N(C)C ZINC000684796000 542666135 /nfs/dbraw/zinc/66/61/35/542666135.db2.gz ZHFFNXQSFWQRQZ-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO CCN1CCN(Cc2ccc(OCC[NH+](C)C)cc2)[C@H](C)C1 ZINC000685440092 542724764 /nfs/dbraw/zinc/72/47/64/542724764.db2.gz SXRJPMLCRGYXNL-MRXNPFEDSA-N 1 3 305.466 2.153 20 0 DEADHO COc1cc(CN2CCC([C@@H](C)[NH3+])CC2)cc2c1OCCO2 ZINC000347205608 132745123 /nfs/dbraw/zinc/74/51/23/132745123.db2.gz LZOWSMSNUBDWGY-GFCCVEGCSA-N 1 3 306.406 2.026 20 0 DEADHO C[C@H]1CC([NH2+]CC(=O)NCCN2CCCCCC2)C[C@H](C)C1 ZINC000353673107 132992234 /nfs/dbraw/zinc/99/22/34/132992234.db2.gz RDNNMDLIEZDGFX-HZPDHXFCSA-N 1 3 309.498 2.393 20 0 DEADHO Cc1ccc(CN(CC[NH+](C)C)C(=O)CN2[C@@H](C)CC[C@@H]2C)o1 ZINC000355406575 133024829 /nfs/dbraw/zinc/02/48/29/133024829.db2.gz DTFYZWCIMGVICC-GJZGRUSLSA-N 1 3 321.465 2.351 20 0 DEADHO C[C@@H](NC(=O)NCC1([NH+](C)C)CCCCC1)C1=CCN(C)CC1 ZINC000357868690 133106249 /nfs/dbraw/zinc/10/62/49/133106249.db2.gz LFNIPDMZLGTVBM-OAHLLOKOSA-N 1 3 322.497 2.201 20 0 DEADHO C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2CN(C)C)CC[N@@H+]1C ZINC000362824801 133253117 /nfs/dbraw/zinc/25/31/17/133253117.db2.gz DXPPIYMZEJCDOV-ZBFHGGJFSA-N 1 3 303.450 2.303 20 0 DEADHO C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2CN(C)C)CC[N@H+]1C ZINC000362824801 133253118 /nfs/dbraw/zinc/25/31/18/133253118.db2.gz DXPPIYMZEJCDOV-ZBFHGGJFSA-N 1 3 303.450 2.303 20 0 DEADHO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1cccc(CN2CCCC2)c1 ZINC000368167284 133263335 /nfs/dbraw/zinc/26/33/35/133263335.db2.gz ZIJGAEOJAFXCON-QGZVFWFLSA-N 1 3 313.445 2.154 20 0 DEADHO COC(=O)CCN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000368581152 133279305 /nfs/dbraw/zinc/27/93/05/133279305.db2.gz ASAMSWLAUICSLH-IAGOWNOFSA-N 1 3 302.418 2.003 20 0 DEADHO COC(=O)CCN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000368581152 133279306 /nfs/dbraw/zinc/27/93/06/133279306.db2.gz ASAMSWLAUICSLH-IAGOWNOFSA-N 1 3 302.418 2.003 20 0 DEADHO CCN(C)C[C@@H](O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000563367563 292049921 /nfs/dbraw/zinc/04/99/21/292049921.db2.gz VIYGVFLJRQHWPW-ROUUACIJSA-N 1 3 320.477 2.183 20 0 DEADHO Cc1nc(C)c(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)s1 ZINC000563693221 292069892 /nfs/dbraw/zinc/06/98/92/292069892.db2.gz VEQSPPGFFJNSFF-GDBMZVCRSA-N 1 3 309.479 2.478 20 0 DEADHO N[C@@H]1C[C@H]([NH2+]CCc2cn3c(n2)SCC3)c2ccccc21 ZINC000564823219 292113047 /nfs/dbraw/zinc/11/30/47/292113047.db2.gz DLUPQCOQHOKQTE-CABCVRRESA-N 1 3 300.431 2.266 20 0 DEADHO [NH3+]CCCN(Cc1ccccc1)C(=O)[C@@H]1CNCc2ccccc21 ZINC000564948654 292122802 /nfs/dbraw/zinc/12/28/02/292122802.db2.gz HQPZJHQPGPDXGI-LJQANCHMSA-N 1 3 323.440 2.251 20 0 DEADHO C[C@@]1(C[NH3+])CCN(CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000261663162 145214403 /nfs/dbraw/zinc/21/44/03/145214403.db2.gz ILBOXWBRNASDJC-HNNXBMFYSA-N 1 3 313.804 2.478 20 0 DEADHO C[C@@]1(CN)CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000261663162 145214405 /nfs/dbraw/zinc/21/44/05/145214405.db2.gz ILBOXWBRNASDJC-HNNXBMFYSA-N 1 3 313.804 2.478 20 0 DEADHO C[C@@]1(CN)CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000261663162 145214407 /nfs/dbraw/zinc/21/44/07/145214407.db2.gz ILBOXWBRNASDJC-HNNXBMFYSA-N 1 3 313.804 2.478 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261706695 145219181 /nfs/dbraw/zinc/21/91/81/145219181.db2.gz IXKQYNYHJGTBNZ-BZZMCLGOSA-N 1 3 315.461 2.456 20 0 DEADHO C[C@H](c1ccccc1)N(C)C(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000261860221 145234832 /nfs/dbraw/zinc/23/48/32/145234832.db2.gz FWVZTWAWIYCHJE-HZPDHXFCSA-N 1 3 303.450 2.267 20 0 DEADHO C[C@@H](c1ccccc1)N(C)C(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000261860219 145235038 /nfs/dbraw/zinc/23/50/38/145235038.db2.gz FWVZTWAWIYCHJE-HOTGVXAUSA-N 1 3 303.450 2.267 20 0 DEADHO O=C(Nc1ccccc1)C1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000262026722 145254625 /nfs/dbraw/zinc/25/46/25/145254625.db2.gz WRTXZFVCQRCVIR-HNNXBMFYSA-N 1 3 301.434 2.337 20 0 DEADHO CCc1cccc(Cl)c1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262072019 145259178 /nfs/dbraw/zinc/25/91/78/145259178.db2.gz CORZOPWFPLQPFZ-HNNXBMFYSA-N 1 3 307.869 2.382 20 0 DEADHO NCc1cc(NC(=O)C2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC000262923396 145311231 /nfs/dbraw/zinc/31/12/31/145311231.db2.gz FIUBSTJELWWUFZ-UHFFFAOYSA-N 1 3 301.312 2.102 20 0 DEADHO NC1(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCCC1 ZINC000309745424 145350542 /nfs/dbraw/zinc/35/05/42/145350542.db2.gz UCHKORYSJXOQAP-KRWDZBQOSA-N 1 3 315.461 2.286 20 0 DEADHO NC1(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000309745424 145350544 /nfs/dbraw/zinc/35/05/44/145350544.db2.gz UCHKORYSJXOQAP-KRWDZBQOSA-N 1 3 315.461 2.286 20 0 DEADHO CC[C@H](C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1)[NH+](CC)CC ZINC000346198798 146036689 /nfs/dbraw/zinc/03/66/89/146036689.db2.gz RTGDNSZMDDDRFT-QBPKDAKJSA-N 1 3 309.498 2.296 20 0 DEADHO C[C@H]1CN(CCc2ccccc2F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000346916320 146164843 /nfs/dbraw/zinc/16/48/43/146164843.db2.gz MJIMTDCFORLXPT-QFBILLFUSA-N 1 3 319.468 2.326 20 0 DEADHO C[C@H]1C[N@H+](CCc2ccccc2F)CC[C@H]1N1CCN(C)CC1 ZINC000346916320 146164846 /nfs/dbraw/zinc/16/48/46/146164846.db2.gz MJIMTDCFORLXPT-QFBILLFUSA-N 1 3 319.468 2.326 20 0 DEADHO C[C@H]1C[N@@H+](CCc2ccccc2F)CC[C@H]1N1CCN(C)CC1 ZINC000346916320 146164848 /nfs/dbraw/zinc/16/48/48/146164848.db2.gz MJIMTDCFORLXPT-QFBILLFUSA-N 1 3 319.468 2.326 20 0 DEADHO CCCCN(C)CCNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000348211861 146234538 /nfs/dbraw/zinc/23/45/38/146234538.db2.gz UYTUYMAJLJVFCQ-KRWDZBQOSA-N 1 3 324.513 2.092 20 0 DEADHO CCCCN(C)CCNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000348211861 146234539 /nfs/dbraw/zinc/23/45/39/146234539.db2.gz UYTUYMAJLJVFCQ-KRWDZBQOSA-N 1 3 324.513 2.092 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC000349411475 146376697 /nfs/dbraw/zinc/37/66/97/146376697.db2.gz XLWJTYHZKTZXBA-APWZRJJASA-N 1 3 317.477 2.031 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC000349411475 146376699 /nfs/dbraw/zinc/37/66/99/146376699.db2.gz XLWJTYHZKTZXBA-APWZRJJASA-N 1 3 317.477 2.031 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CC[C@H](C)C3(CCC3)C2)CC1 ZINC000357021407 147024775 /nfs/dbraw/zinc/02/47/75/147024775.db2.gz HNEIMPHJULIZBG-HNNXBMFYSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H](C(=O)NCc1ccccc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357098296 147041513 /nfs/dbraw/zinc/04/15/13/147041513.db2.gz AKRHIALXLQUKJM-MAUKXSAKSA-N 1 3 315.461 2.013 20 0 DEADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)NCc1cccc(Cl)c1 ZINC000358502607 147146777 /nfs/dbraw/zinc/14/67/77/147146777.db2.gz WRZZSVRDFTTZIJ-UHFFFAOYSA-N 1 3 321.852 2.032 20 0 DEADHO [NH3+]C[C@@H](C(=O)Nc1ccc2c(c1)CNCC2)c1ccc(F)cc1 ZINC000358741910 147194462 /nfs/dbraw/zinc/19/44/62/147194462.db2.gz DVOKHKJCMXLTEV-QGZVFWFLSA-N 1 3 313.376 2.152 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000358850557 147218510 /nfs/dbraw/zinc/21/85/10/147218510.db2.gz CSELWKGQPACJLC-IAGOWNOFSA-N 1 3 321.440 2.249 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000358850557 147218513 /nfs/dbraw/zinc/21/85/13/147218513.db2.gz CSELWKGQPACJLC-IAGOWNOFSA-N 1 3 321.440 2.249 20 0 DEADHO CC[NH+](CC)CCOC1CC[NH+](Cc2ncccc2[O-])CC1 ZINC000565508393 292166483 /nfs/dbraw/zinc/16/64/83/292166483.db2.gz SOTKSIOOQGVSMN-UHFFFAOYSA-N 1 3 307.438 2.110 20 0 DEADHO COCC[NH2+]C1CCN(Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000565660504 292175405 /nfs/dbraw/zinc/17/54/05/292175405.db2.gz JEIOJLOCSYYZBV-UHFFFAOYSA-N 1 3 314.433 2.073 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000370386106 148012543 /nfs/dbraw/zinc/01/25/43/148012543.db2.gz LDPUUKFASFRAAX-KRWDZBQOSA-N 1 3 303.450 2.109 20 0 DEADHO OC[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1CCOC1 ZINC000370665870 148041089 /nfs/dbraw/zinc/04/10/89/148041089.db2.gz QZMVRNMTBPMNDF-HOTGVXAUSA-N 1 3 310.482 2.018 20 0 DEADHO OC[C@H](CNC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCOC1 ZINC000370665870 148041093 /nfs/dbraw/zinc/04/10/93/148041093.db2.gz QZMVRNMTBPMNDF-HOTGVXAUSA-N 1 3 310.482 2.018 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H](C)C3(CCC3)C2)CC1 ZINC000371434651 148102716 /nfs/dbraw/zinc/10/27/16/148102716.db2.gz QNHWNANMMBTAFW-INIZCTEOSA-N 1 3 321.509 2.488 20 0 DEADHO CC1CC[NH+](C2CCC(NC(=O)/C=C/CN(C)C)CC2)CC1 ZINC000372221948 148183100 /nfs/dbraw/zinc/18/31/00/148183100.db2.gz NZIYBJMWKJSQJG-SNAWJCMRSA-N 1 3 307.482 2.264 20 0 DEADHO Cc1ccccc1CNC(=O)[C@@H](C)N1CCC(CC[NH3+])CC1 ZINC000565837604 292185898 /nfs/dbraw/zinc/18/58/98/292185898.db2.gz CXCBRFACGFIGHY-OAHLLOKOSA-N 1 3 303.450 2.061 20 0 DEADHO C[N@@H+]1CCC[C@@H](CCNC(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000565939498 292192264 /nfs/dbraw/zinc/19/22/64/292192264.db2.gz AZIXOWVOHVYQJZ-AWEZNQCLSA-N 1 3 316.449 2.186 20 0 DEADHO C[N@H+]1CCC[C@@H](CCNC(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000565939498 292192266 /nfs/dbraw/zinc/19/22/66/292192266.db2.gz AZIXOWVOHVYQJZ-AWEZNQCLSA-N 1 3 316.449 2.186 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CCCN1CC ZINC000074345951 401736036 /nfs/dbraw/zinc/73/60/36/401736036.db2.gz ONCQMFWANYCGBD-CVEARBPZSA-N 1 3 310.486 2.034 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1CCCN1CC ZINC000074345951 401736039 /nfs/dbraw/zinc/73/60/39/401736039.db2.gz ONCQMFWANYCGBD-CVEARBPZSA-N 1 3 310.486 2.034 20 0 DEADHO CCCC[N@H+](C)CCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000112431495 401744823 /nfs/dbraw/zinc/74/48/23/401744823.db2.gz DPTWWLYAORSLNE-KRWDZBQOSA-N 1 3 320.481 2.320 20 0 DEADHO CCCC[N@@H+](C)CCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000112431495 401744825 /nfs/dbraw/zinc/74/48/25/401744825.db2.gz DPTWWLYAORSLNE-KRWDZBQOSA-N 1 3 320.481 2.320 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000126937976 401713551 /nfs/dbraw/zinc/71/35/51/401713551.db2.gz LPJUPMNNFCLCIN-HOCLYGCPSA-N 1 3 322.497 2.033 20 0 DEADHO CCN(C)CCNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000113605510 401784107 /nfs/dbraw/zinc/78/41/07/401784107.db2.gz NVWQWCZYFFVVOA-HNNXBMFYSA-N 1 3 320.481 2.367 20 0 DEADHO C[C@H](CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)N(C)C1CC1 ZINC000116545990 401854155 /nfs/dbraw/zinc/85/41/55/401854155.db2.gz BRPOHLSQNIVYHP-HIFRSBDPSA-N 1 3 312.502 2.135 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCCN2CCCCC2)C1 ZINC000078989028 401868590 /nfs/dbraw/zinc/86/85/90/401868590.db2.gz PRXFIPJEYQYRAD-QGZVFWFLSA-N 1 3 324.513 2.284 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCCN2CCCCC2)C1 ZINC000078989028 401868593 /nfs/dbraw/zinc/86/85/93/401868593.db2.gz PRXFIPJEYQYRAD-QGZVFWFLSA-N 1 3 324.513 2.284 20 0 DEADHO CCN(CC)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000079945534 401884266 /nfs/dbraw/zinc/88/42/66/401884266.db2.gz UZAGUURRJDMCHJ-AEFFLSMTSA-N 1 3 317.477 2.498 20 0 DEADHO CCN(CC)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000079945534 401884269 /nfs/dbraw/zinc/88/42/69/401884269.db2.gz UZAGUURRJDMCHJ-AEFFLSMTSA-N 1 3 317.477 2.498 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccsc3)CC2)CC1 ZINC000050801319 402030133 /nfs/dbraw/zinc/03/01/33/402030133.db2.gz FNVUUKKLZIAANH-UHFFFAOYSA-N 1 3 307.463 2.037 20 0 DEADHO C[C@@H]1CCCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051758356 402036899 /nfs/dbraw/zinc/03/68/99/402036899.db2.gz PDJYTYMYLKOMSX-OAHLLOKOSA-N 1 3 322.497 2.129 20 0 DEADHO CCCNC(=O)[C@@H](C)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121907512 402056012 /nfs/dbraw/zinc/05/60/12/402056012.db2.gz QWDOUOBMNFHWSJ-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000566193211 292216695 /nfs/dbraw/zinc/21/66/95/292216695.db2.gz VSUBAJYFNRGMIB-HZPDHXFCSA-N 1 3 312.502 2.410 20 0 DEADHO CC(C)[NH+](CCNC(=O)N(C)CC1CCN(C)CC1)C(C)C ZINC000103595271 402192819 /nfs/dbraw/zinc/19/28/19/402192819.db2.gz KLVMTZJASIMGDR-UHFFFAOYSA-N 1 3 312.502 2.088 20 0 DEADHO CCN(CCNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC000101982244 402159653 /nfs/dbraw/zinc/15/96/53/402159653.db2.gz RBMWMKDFVSGDPF-INIZCTEOSA-N 1 3 324.513 2.282 20 0 DEADHO CCN(CCNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1)C1CC1 ZINC000101982244 402159655 /nfs/dbraw/zinc/15/96/55/402159655.db2.gz RBMWMKDFVSGDPF-INIZCTEOSA-N 1 3 324.513 2.282 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000124166671 402166906 /nfs/dbraw/zinc/16/69/06/402166906.db2.gz NEIFDPCOJOXKLO-KRWDZBQOSA-N 1 3 303.450 2.239 20 0 DEADHO COc1cc(C[NH2+]C[C@H]2CCCN(C)C2)cc(OC)c1OC ZINC000068722715 402204299 /nfs/dbraw/zinc/20/42/99/402204299.db2.gz UFGASFNCTYZGAK-CYBMUJFWSA-N 1 3 308.422 2.144 20 0 DEADHO COCC[NH+]1CCC(N[C@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC000154862030 402236629 /nfs/dbraw/zinc/23/66/29/402236629.db2.gz WINLLWNEQINRTP-PEBXRYMYSA-N 1 3 324.490 2.185 20 0 DEADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)C[NH+]1CCCC1 ZINC000155849925 402268429 /nfs/dbraw/zinc/26/84/29/402268429.db2.gz LUXWMLRQIJNMKZ-HNNXBMFYSA-N 1 3 303.450 2.210 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)N(C)CCN(C)C)c1ccccc1 ZINC000176152511 402284795 /nfs/dbraw/zinc/28/47/95/402284795.db2.gz AIKQAQMDZDGRMB-KRWDZBQOSA-N 1 3 320.481 2.273 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCCCC1(C)C ZINC000156661405 402286215 /nfs/dbraw/zinc/28/62/15/402286215.db2.gz YVTSZYUSKIYPOL-HNNXBMFYSA-N 1 3 312.502 2.090 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000157133956 402292232 /nfs/dbraw/zinc/29/22/32/402292232.db2.gz RJUTZDPTQQDFQF-UHFFFAOYSA-N 1 3 312.502 2.277 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](CN[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000225882336 402325031 /nfs/dbraw/zinc/32/50/31/402325031.db2.gz ICSAFARELJQBPZ-HUUCEWRRSA-N 1 3 311.470 2.316 20 0 DEADHO CC(C)[N@H+]1CC[C@H](CN[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000225882336 402325032 /nfs/dbraw/zinc/32/50/32/402325032.db2.gz ICSAFARELJQBPZ-HUUCEWRRSA-N 1 3 311.470 2.316 20 0 DEADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000225882336 402325033 /nfs/dbraw/zinc/32/50/33/402325033.db2.gz ICSAFARELJQBPZ-HUUCEWRRSA-N 1 3 311.470 2.316 20 0 DEADHO C[C@@H](c1cccc(Cl)c1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221162293 402302953 /nfs/dbraw/zinc/30/29/53/402302953.db2.gz DYJVGYAGGBNRSK-GXTWGEPZSA-N 1 3 309.841 2.188 20 0 DEADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@]2(O)CCSC2)CC1 ZINC000158271791 402303904 /nfs/dbraw/zinc/30/39/04/402303904.db2.gz FXVDGGDUFCFBON-DJIMGWMZSA-N 1 3 312.523 2.487 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000236895239 402387447 /nfs/dbraw/zinc/38/74/47/402387447.db2.gz MUVWQUMPEHMTQO-WBVHZDCISA-N 1 3 309.498 2.474 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000236895239 402387450 /nfs/dbraw/zinc/38/74/50/402387450.db2.gz MUVWQUMPEHMTQO-WBVHZDCISA-N 1 3 309.498 2.474 20 0 DEADHO CC(C)C[C@H]([NH3+])C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000236674201 402373278 /nfs/dbraw/zinc/37/32/78/402373278.db2.gz UTEZNHCJQRWOOC-YOEHRIQHSA-N 1 3 318.465 2.097 20 0 DEADHO CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000236940711 402388791 /nfs/dbraw/zinc/38/87/91/402388791.db2.gz BODAKCGCSAJPOB-JLSDUUJJSA-N 1 3 317.477 2.313 20 0 DEADHO CCCN(C(=O)CC[NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000236755707 402380147 /nfs/dbraw/zinc/38/01/47/402380147.db2.gz WKVNRVJRAFQVCY-KRWDZBQOSA-N 1 3 303.450 2.238 20 0 DEADHO CC1CCC(N2CCN(C(=O)C3(C[NH3+])CCCC3)CC2)CC1 ZINC000236787300 402382550 /nfs/dbraw/zinc/38/25/50/402382550.db2.gz HGMQYZDRJBHJFK-UHFFFAOYSA-N 1 3 307.482 2.228 20 0 DEADHO CCN(Cc1ccccc1)C(=O)C[NH2+][C@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000177998219 402451014 /nfs/dbraw/zinc/45/10/14/402451014.db2.gz YQPWEIJVPDFYPT-BQFCYCMXSA-N 1 3 317.477 2.353 20 0 DEADHO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCCCN1 ZINC000238055253 402435378 /nfs/dbraw/zinc/43/53/78/402435378.db2.gz AJJYQAIURPBSMZ-GOSISDBHSA-N 1 3 315.461 2.431 20 0 DEADHO CCN1CC[C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000178035689 402454470 /nfs/dbraw/zinc/45/44/70/402454470.db2.gz CXSYDXYEGDOCEF-ZJPYXAASSA-N 1 3 311.514 2.196 20 0 DEADHO CCN1CCC(n2nccc2NC(=O)CCCCCC[NH3+])CC1 ZINC000163885270 402458895 /nfs/dbraw/zinc/45/88/95/402458895.db2.gz QKLMFIWFTHSAMX-UHFFFAOYSA-N 1 3 321.469 2.388 20 0 DEADHO CC1CC[NH+](Cc2ccc(CNC(=O)C3(N)CC3)cc2)CC1 ZINC000164578413 402464841 /nfs/dbraw/zinc/46/48/41/402464841.db2.gz SDPXIIMAXKCUBP-UHFFFAOYSA-N 1 3 301.434 2.026 20 0 DEADHO C[NH2+]C[C@H](C)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000165897118 402480106 /nfs/dbraw/zinc/48/01/06/402480106.db2.gz UNCLEMSMNJENDE-RDJZCZTQSA-N 1 3 303.450 2.013 20 0 DEADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccc2c(c1)OCO2 ZINC000166055042 402481370 /nfs/dbraw/zinc/48/13/70/402481370.db2.gz FVROXOQQQUEFQY-HIFRSBDPSA-N 1 3 308.422 2.423 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@H](c2nccn2C)C2CC2)C[C@H](C)O1 ZINC000245845765 402491223 /nfs/dbraw/zinc/49/12/23/402491223.db2.gz DSIRPGTWKUGUNZ-UXLLHSPISA-N 1 3 320.481 2.350 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)C2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000167539391 402492047 /nfs/dbraw/zinc/49/20/47/402492047.db2.gz RRGYTSDVQDKZDI-CRAIPNDOSA-N 1 3 315.461 2.155 20 0 DEADHO COC[C@@H]([NH2+]Cc1ccc(CN(C)C)cc1)C1CCOCC1 ZINC000187706217 402509560 /nfs/dbraw/zinc/50/95/60/402509560.db2.gz GLCUVLOIODWWOF-GOSISDBHSA-N 1 3 306.450 2.279 20 0 DEADHO C[C@@H](C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[C@H](N)c1ccccc1 ZINC000178809199 402542397 /nfs/dbraw/zinc/54/23/97/402542397.db2.gz QWPNELQOBUMUBE-NUJGCVRESA-N 1 3 315.461 2.267 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000246745116 402543438 /nfs/dbraw/zinc/54/34/38/402543438.db2.gz YXKNALUEFZVOPT-BRWVUGGUSA-N 1 3 324.513 2.233 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000246745116 402543440 /nfs/dbraw/zinc/54/34/40/402543440.db2.gz YXKNALUEFZVOPT-BRWVUGGUSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000247071063 402555602 /nfs/dbraw/zinc/55/56/02/402555602.db2.gz WXRWGROBVBMEHX-FXUDXRNXSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000247071063 402555604 /nfs/dbraw/zinc/55/56/04/402555604.db2.gz WXRWGROBVBMEHX-FXUDXRNXSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CN1C1CC1 ZINC000246177177 402515698 /nfs/dbraw/zinc/51/56/98/402515698.db2.gz GRZFILWRFYIXBQ-BZUAXINKSA-N 1 3 322.497 2.127 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CN1C1CC1 ZINC000246177177 402515701 /nfs/dbraw/zinc/51/57/01/402515701.db2.gz GRZFILWRFYIXBQ-BZUAXINKSA-N 1 3 322.497 2.127 20 0 DEADHO CCCN(CCC[NH+](C)C)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000188621463 402522309 /nfs/dbraw/zinc/52/23/09/402522309.db2.gz JPLPSPXIPXGAPK-INIZCTEOSA-N 1 3 312.502 2.234 20 0 DEADHO CC(C)(C)OC[C@H](O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246492968 402533696 /nfs/dbraw/zinc/53/36/96/402533696.db2.gz HHATVXOFKBLMSG-USXIJHARSA-N 1 3 310.482 2.111 20 0 DEADHO CC(C)(C)OC[C@H](O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246492968 402533698 /nfs/dbraw/zinc/53/36/98/402533698.db2.gz HHATVXOFKBLMSG-USXIJHARSA-N 1 3 310.482 2.111 20 0 DEADHO COCCN(C)c1ccc(C[NH2+]C2CCN(C(C)C)CC2)cn1 ZINC000190699704 402618742 /nfs/dbraw/zinc/61/87/42/402618742.db2.gz GBWGQSPHLPYSNV-UHFFFAOYSA-N 1 3 320.481 2.127 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cnn(C(C)C)c2C)CC1 ZINC000191174447 402648003 /nfs/dbraw/zinc/64/80/03/402648003.db2.gz ZWJZSXMMJHPDSD-JKSUJKDBSA-N 1 3 321.513 2.449 20 0 DEADHO C[C@@H](CNC(=O)NCCN1CCC[C@@H](C)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000252127580 402653077 /nfs/dbraw/zinc/65/30/77/402653077.db2.gz KHKGHVKJHAKQEQ-IKGGRYGDSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H](CNC(=O)NCCN1CCC[C@@H](C)C1)[N@H+]1CCC[C@H](C)C1 ZINC000252127580 402653079 /nfs/dbraw/zinc/65/30/79/402653079.db2.gz KHKGHVKJHAKQEQ-IKGGRYGDSA-N 1 3 324.513 2.138 20 0 DEADHO O=C(CC[C@@H]1CC[NH2+]C1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000261803191 402717747 /nfs/dbraw/zinc/71/77/47/402717747.db2.gz FUZCEGDLPCUVTP-AEFFLSMTSA-N 1 3 315.461 2.329 20 0 DEADHO CC[N@@H+]1CC[C@H](NCCN2CCc3ccccc3C2=O)[C@H](C)C1 ZINC000191619551 402681754 /nfs/dbraw/zinc/68/17/54/402681754.db2.gz OGQKYJBEBJQVQB-QAPCUYQASA-N 1 3 315.461 2.005 20 0 DEADHO CC[N@H+]1CC[C@H](NCCN2CCc3ccccc3C2=O)[C@H](C)C1 ZINC000191619551 402681757 /nfs/dbraw/zinc/68/17/57/402681757.db2.gz OGQKYJBEBJQVQB-QAPCUYQASA-N 1 3 315.461 2.005 20 0 DEADHO CN(C)CCOc1ccc(NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])cc1 ZINC000263308730 402756877 /nfs/dbraw/zinc/75/68/77/402756877.db2.gz YGBOGOCSSQEWBI-WMZOPIPTSA-N 1 3 319.449 2.473 20 0 DEADHO CN(C)CCOc1ccc(NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])cc1 ZINC000263308729 402757065 /nfs/dbraw/zinc/75/70/65/402757065.db2.gz YGBOGOCSSQEWBI-SJLPKXTDSA-N 1 3 319.449 2.473 20 0 DEADHO CCN(CC)[C@H](CNC(=O)CC[C@H](C)[NH3+])c1cccc(OC)c1 ZINC000193293358 402769989 /nfs/dbraw/zinc/76/99/89/402769989.db2.gz JQAGFNWXIOFFGY-WMLDXEAASA-N 1 3 321.465 2.322 20 0 DEADHO C[C@H](CNC(=O)NCCC[NH+]1CCCCC1)N1CCC(C)CC1 ZINC000194477144 402799855 /nfs/dbraw/zinc/79/98/55/402799855.db2.gz URTABAFIURSQEQ-QGZVFWFLSA-N 1 3 324.513 2.282 20 0 DEADHO CN(C)C/C=C/C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000265655161 402937411 /nfs/dbraw/zinc/93/74/11/402937411.db2.gz PNYQXZJTFQWLNB-RMKNXTFCSA-N 1 3 315.461 2.133 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C1CC[NH2+]CC1 ZINC000272482446 402942614 /nfs/dbraw/zinc/94/26/14/402942614.db2.gz RWOKIZPLHVSXCI-MAUKXSAKSA-N 1 3 315.461 2.013 20 0 DEADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)CCCC[NH3+])N(C)C)cc1 ZINC000417318016 292252886 /nfs/dbraw/zinc/25/28/86/292252886.db2.gz XVIIRJBEXHJHMX-WBVHZDCISA-N 1 3 320.481 2.414 20 0 DEADHO CN1CCC(Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)CC1 ZINC000272295882 402920112 /nfs/dbraw/zinc/92/01/12/402920112.db2.gz QNLOIBXUZUPKOO-UHFFFAOYSA-N 1 3 317.481 2.118 20 0 DEADHO C[C@H](CC(=O)N(C)C)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272391285 402931297 /nfs/dbraw/zinc/93/12/97/402931297.db2.gz XZJVCDKOROFOTP-NUJGCVRESA-N 1 3 317.477 2.353 20 0 DEADHO C[C@H](CC(=O)N(C)C)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272391285 402931299 /nfs/dbraw/zinc/93/12/99/402931299.db2.gz XZJVCDKOROFOTP-NUJGCVRESA-N 1 3 317.477 2.353 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+]CC2=Cc3ccccc3OC2)CC1 ZINC000338714136 404493760 /nfs/dbraw/zinc/49/37/60/404493760.db2.gz RDIHAXWKNVZPHG-INIZCTEOSA-N 1 3 315.461 2.078 20 0 DEADHO CC[N@H+](C)Cc1cccc(CNC(=O)CC2CCN(C)CC2)c1 ZINC000273179621 402980180 /nfs/dbraw/zinc/98/01/80/402980180.db2.gz GIZJZPQBVGXYPX-UHFFFAOYSA-N 1 3 317.477 2.486 20 0 DEADHO CC[N@@H+](C)Cc1cccc(CNC(=O)CC2CCN(C)CC2)c1 ZINC000273179621 402980183 /nfs/dbraw/zinc/98/01/83/402980183.db2.gz GIZJZPQBVGXYPX-UHFFFAOYSA-N 1 3 317.477 2.486 20 0 DEADHO CCC[C@@H](O)CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000268390059 403079120 /nfs/dbraw/zinc/07/91/20/403079120.db2.gz XCVMENZTRIXIGE-GOSISDBHSA-N 1 3 319.493 2.468 20 0 DEADHO CCC[C@@H](O)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000268390059 403079123 /nfs/dbraw/zinc/07/91/23/403079123.db2.gz XCVMENZTRIXIGE-GOSISDBHSA-N 1 3 319.493 2.468 20 0 DEADHO COCc1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000268433223 403082958 /nfs/dbraw/zinc/08/29/58/403082958.db2.gz PIKZRVWLFDZQEQ-UHFFFAOYSA-N 1 3 306.450 2.158 20 0 DEADHO C[C@@H](NC1CC[NH+](C2CC2)CC1)c1ccc2c(c1)CC(=O)N2C ZINC000268779271 403113171 /nfs/dbraw/zinc/11/31/71/403113171.db2.gz XAJKOZXLIQNQIH-CYBMUJFWSA-N 1 3 313.445 2.483 20 0 DEADHO C[C@H](NCC1([S@@](C)=O)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000282146036 403127129 /nfs/dbraw/zinc/12/71/29/403127129.db2.gz CJZUULKFPNXRAP-RCDICMHDSA-N 1 3 324.490 2.189 20 0 DEADHO c1cn(CC[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cn1 ZINC000285421955 403292789 /nfs/dbraw/zinc/29/27/89/403292789.db2.gz DSAGIALBPBQWDX-LJQANCHMSA-N 1 3 310.445 2.481 20 0 DEADHO c1cn(CC[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cn1 ZINC000285421955 403292793 /nfs/dbraw/zinc/29/27/93/403292793.db2.gz DSAGIALBPBQWDX-LJQANCHMSA-N 1 3 310.445 2.481 20 0 DEADHO C[C@H]1CC[NH2+]C[C@H]1NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000422713501 533675938 /nfs/dbraw/zinc/67/59/38/533675938.db2.gz HOXXDNOCNIYDLW-KBXCAEBGSA-N 1 3 305.441 2.378 20 0 DEADHO C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(OC(F)F)cc1 ZINC000298290252 403351428 /nfs/dbraw/zinc/35/14/28/403351428.db2.gz CSWVYFATGBBNDW-OCCSQVGLSA-N 1 3 314.376 2.395 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000342699177 403312762 /nfs/dbraw/zinc/31/27/62/403312762.db2.gz VKLDPJISYWXDNO-JQHSSLGASA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[NH2+][C@H]2C)CN1Cc1ccccc1 ZINC000342714999 403318967 /nfs/dbraw/zinc/31/89/67/403318967.db2.gz ULWRHBFGVSONDE-ATLSCFEFSA-N 1 3 315.461 2.154 20 0 DEADHO C[C@@H](CNC(=O)[C@H]1CCC[NH2+][C@H]1C)N(C)Cc1ccccc1 ZINC000342731230 403325756 /nfs/dbraw/zinc/32/57/56/403325756.db2.gz KCDZGPRNICMHSE-ZOBUZTSGSA-N 1 3 303.450 2.011 20 0 DEADHO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000342766510 403341171 /nfs/dbraw/zinc/34/11/71/403341171.db2.gz VPEUKCKEHAUNAC-WBVHZDCISA-N 1 3 307.482 2.099 20 0 DEADHO CN1CCC(O)(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000339069637 403342094 /nfs/dbraw/zinc/34/20/94/403342094.db2.gz YTQJZBXBTKZTCZ-FUHWJXTLSA-N 1 3 318.461 2.201 20 0 DEADHO C[NH2+]CCC(=O)Nc1ccc(OCCN2CCCC2)c(C)c1 ZINC000285762280 403374192 /nfs/dbraw/zinc/37/41/92/403374192.db2.gz KTEWJOLULCGMCO-UHFFFAOYSA-N 1 3 305.422 2.018 20 0 DEADHO C[C@H](C[NH3+])C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000285862879 403398486 /nfs/dbraw/zinc/39/84/86/403398486.db2.gz ZDBOYQYAHRGEFR-BFYDXBDKSA-N 1 3 303.450 2.093 20 0 DEADHO CC(C)COC[C@@H](O)CNCc1ccccc1C[NH+]1CCCC1 ZINC000566850520 292272235 /nfs/dbraw/zinc/27/22/35/292272235.db2.gz FKZAMCVYBFRDJB-IBGZPJMESA-N 1 3 320.477 2.406 20 0 DEADHO C[C@H](CNC(=O)NCCN1CCC[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000339747259 403438390 /nfs/dbraw/zinc/43/83/90/403438390.db2.gz FLVROSIIWAYHQK-IAGOWNOFSA-N 1 3 324.513 2.140 20 0 DEADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000343129500 403470963 /nfs/dbraw/zinc/47/09/63/403470963.db2.gz DWFUSGDJTKJVLY-SJORKVTESA-N 1 3 321.509 2.347 20 0 DEADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000343129500 403470967 /nfs/dbraw/zinc/47/09/67/403470967.db2.gz DWFUSGDJTKJVLY-SJORKVTESA-N 1 3 321.509 2.347 20 0 DEADHO CC[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)N(C)C ZINC000298896365 403482840 /nfs/dbraw/zinc/48/28/40/403482840.db2.gz NBQZQMAGACEWNP-MRXNPFEDSA-N 1 3 309.429 2.056 20 0 DEADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(C)ccn2)CC1 ZINC000286272353 403487137 /nfs/dbraw/zinc/48/71/37/403487137.db2.gz VJMVEYCXMFEASZ-DLBZAZTESA-N 1 3 304.482 2.314 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]CCC[C@@H](C)CO)CC1 ZINC000340107594 403550032 /nfs/dbraw/zinc/55/00/32/403550032.db2.gz YVUMDFXNRCDUBD-QGZVFWFLSA-N 1 3 319.493 2.327 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000332568193 403591778 /nfs/dbraw/zinc/59/17/78/403591778.db2.gz XZNCLRHNNSDHOY-DOTOQJQBSA-N 1 3 322.497 2.164 20 0 DEADHO C[C@H](C[NH2+][C@@H](C)[C@@H](c1ccccc1)N1CCOCC1)CN(C)C ZINC000293830269 403574591 /nfs/dbraw/zinc/57/45/91/403574591.db2.gz WKULSZNHNGISCA-AOIWGVFYSA-N 1 3 319.493 2.236 20 0 DEADHO C[C@@H](C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000346157359 403576402 /nfs/dbraw/zinc/57/64/02/403576402.db2.gz KITQDAOEWWKIEN-OXODIDRGSA-N 1 3 321.509 2.436 20 0 DEADHO C[C@@H](C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000346157359 403576405 /nfs/dbraw/zinc/57/64/05/403576405.db2.gz KITQDAOEWWKIEN-OXODIDRGSA-N 1 3 321.509 2.436 20 0 DEADHO C[C@@H]1CN(CC2CC[NH+](C[C@H](O)C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000340286690 403576640 /nfs/dbraw/zinc/57/66/40/403576640.db2.gz TZBKUBCUWNWGFB-INMHGKMJSA-N 1 3 312.498 2.215 20 0 DEADHO C[C@@H](C(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1)N1CCCCCC1 ZINC000346179012 403577802 /nfs/dbraw/zinc/57/78/02/403577802.db2.gz GFVZVDXIUQWRPT-XLAORIBOSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H](C(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1)N1CCCCCC1 ZINC000346179012 403577804 /nfs/dbraw/zinc/57/78/04/403577804.db2.gz GFVZVDXIUQWRPT-XLAORIBOSA-N 1 3 321.509 2.440 20 0 DEADHO CC[NH+]1CCC(NC[C@@](C)(C(=O)OC)c2ccccc2)CC1 ZINC000347269565 403643999 /nfs/dbraw/zinc/64/39/99/403643999.db2.gz QOQXOORPCBRAIO-GOSISDBHSA-N 1 3 304.434 2.191 20 0 DEADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2ccc3c[nH]nc3c2)CC1 ZINC000333124378 403671268 /nfs/dbraw/zinc/67/12/68/403671268.db2.gz ISEBHPOSGHBCKL-AEFFLSMTSA-N 1 3 314.433 2.281 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CCCN(C)[C@@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC000343649396 403676977 /nfs/dbraw/zinc/67/69/77/403676977.db2.gz HPGSSKMALMRAGF-ZJIFWQFVSA-N 1 3 310.486 2.031 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CCCN(C)[C@@H]1C)[N@H+]1CCCC[C@@H]1C ZINC000343649396 403676980 /nfs/dbraw/zinc/67/69/80/403676980.db2.gz HPGSSKMALMRAGF-ZJIFWQFVSA-N 1 3 310.486 2.031 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CCCN(C)[C@@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000343649394 403677438 /nfs/dbraw/zinc/67/74/38/403677438.db2.gz HPGSSKMALMRAGF-KLHDSHLOSA-N 1 3 310.486 2.031 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CCCN(C)[C@@H]1C)[N@H+]1CCCC[C@H]1C ZINC000343649394 403677443 /nfs/dbraw/zinc/67/74/43/403677443.db2.gz HPGSSKMALMRAGF-KLHDSHLOSA-N 1 3 310.486 2.031 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2ccccc2)N(C)C)CC[N@@H+]1C ZINC000340920703 403697234 /nfs/dbraw/zinc/69/72/34/403697234.db2.gz ZOQRNNGVOJYUJW-PVAVHDDUSA-N 1 3 318.465 2.071 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2ccccc2)N(C)C)CC[N@H+]1C ZINC000340920703 403697239 /nfs/dbraw/zinc/69/72/39/403697239.db2.gz ZOQRNNGVOJYUJW-PVAVHDDUSA-N 1 3 318.465 2.071 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CCN1C ZINC000340935877 403704106 /nfs/dbraw/zinc/70/41/06/403704106.db2.gz IUNFJDSSOUEZTK-HYVNUMGLSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000340938684 403705620 /nfs/dbraw/zinc/70/56/20/403705620.db2.gz NUIIVORRUKNLQS-VVLHAWIVSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000340938684 403705623 /nfs/dbraw/zinc/70/56/23/403705623.db2.gz NUIIVORRUKNLQS-VVLHAWIVSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)CCN1C ZINC000340995813 403728049 /nfs/dbraw/zinc/72/80/49/403728049.db2.gz SACMSKQLBVUDMB-XHSDSOJGSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NCCC[N@H+]2CCCC[C@@H]2C)CCN1C ZINC000340995813 403728054 /nfs/dbraw/zinc/72/80/54/403728054.db2.gz SACMSKQLBVUDMB-XHSDSOJGSA-N 1 3 310.486 2.033 20 0 DEADHO CN(C)C(=O)c1cccc(CN2CCC(C[NH+](C)C)CC2)c1 ZINC000341188226 403814900 /nfs/dbraw/zinc/81/49/00/403814900.db2.gz LMLYWTSIESWSDZ-UHFFFAOYSA-N 1 3 303.450 2.162 20 0 DEADHO CCCCNC(=O)[C@@H]1CCCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000351632226 403816471 /nfs/dbraw/zinc/81/64/71/403816471.db2.gz IWTIBLCTSRRVHH-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO CCCCNC(=O)[C@@H]1CCCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000351632226 403816478 /nfs/dbraw/zinc/81/64/78/403816478.db2.gz IWTIBLCTSRRVHH-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000295268733 403821521 /nfs/dbraw/zinc/82/15/21/403821521.db2.gz VNRLHZWFDICUPR-GJZGRUSLSA-N 1 3 323.506 2.464 20 0 DEADHO C[N@@H+]1CCCC[C@H]1CCN1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000351645249 403826017 /nfs/dbraw/zinc/82/60/17/403826017.db2.gz MIYTYKDDOVUTKK-SJORKVTESA-N 1 3 307.482 2.099 20 0 DEADHO C[N@H+]1CCCC[C@H]1CCN1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000351645249 403826025 /nfs/dbraw/zinc/82/60/25/403826025.db2.gz MIYTYKDDOVUTKK-SJORKVTESA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)CCN1C ZINC000341208420 403834052 /nfs/dbraw/zinc/83/40/52/403834052.db2.gz USLKQFAWHDGPAI-ZBFHGGJFSA-N 1 3 310.486 2.081 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000295177195 403785331 /nfs/dbraw/zinc/78/53/31/403785331.db2.gz HADZLMRIROMJPG-OAHLLOKOSA-N 1 3 303.450 2.142 20 0 DEADHO C[C@@]1(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)CCCCN1 ZINC000333600319 403789257 /nfs/dbraw/zinc/78/92/57/403789257.db2.gz PLOGSXRPZRLYRQ-HNNXBMFYSA-N 1 3 308.451 2.081 20 0 DEADHO O[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(F)F ZINC000567165946 292293510 /nfs/dbraw/zinc/29/35/10/292293510.db2.gz DAXMEPAULYTHLZ-HUUCEWRRSA-N 1 3 310.388 2.399 20 0 DEADHO O[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(F)F ZINC000567165946 292293511 /nfs/dbraw/zinc/29/35/11/292293511.db2.gz DAXMEPAULYTHLZ-HUUCEWRRSA-N 1 3 310.388 2.399 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN[C@H](c2cccs2)C2CC2)CC1 ZINC000411454195 403863309 /nfs/dbraw/zinc/86/33/09/403863309.db2.gz HZOXUZGDSAJDRL-KRWDZBQOSA-N 1 3 321.490 2.389 20 0 DEADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000344057863 403880171 /nfs/dbraw/zinc/88/01/71/403880171.db2.gz JFVQTZHYMVVFIE-HOTGVXAUSA-N 1 3 321.465 2.433 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCN(CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000351852299 403961654 /nfs/dbraw/zinc/96/16/54/403961654.db2.gz MQSJXWXSSMBXCT-ZVZYQTTQSA-N 1 3 315.461 2.239 20 0 DEADHO C[C@@H](O)CN(Cc1cccc(C[NH+]2CCCCC2)c1)[C@H](C)CO ZINC000411610410 403910005 /nfs/dbraw/zinc/91/00/05/403910005.db2.gz GTUVNFMIOSQSDY-IAGOWNOFSA-N 1 3 320.477 2.236 20 0 DEADHO COC(=O)c1cc(CNCCCC[N@@H+]2CCC[C@H](C)C2)cn1C ZINC000347918616 403951339 /nfs/dbraw/zinc/95/13/39/403951339.db2.gz IIBBVPYEWYXKBZ-HNNXBMFYSA-N 1 3 321.465 2.413 20 0 DEADHO COC(=O)c1cc(CNCCCC[N@H+]2CCC[C@H](C)C2)cn1C ZINC000347918616 403951346 /nfs/dbraw/zinc/95/13/46/403951346.db2.gz IIBBVPYEWYXKBZ-HNNXBMFYSA-N 1 3 321.465 2.413 20 0 DEADHO C[C@H](CNC(=O)NCCN1CCCCC1)[N@@H+]1CCCC[C@@H]1C ZINC000337363395 403983063 /nfs/dbraw/zinc/98/30/63/403983063.db2.gz JRBRIFPBBUPBCV-JKSUJKDBSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@H](CNC(=O)NCCN1CCCCC1)[N@H+]1CCCC[C@@H]1C ZINC000337363395 403983070 /nfs/dbraw/zinc/98/30/70/403983070.db2.gz JRBRIFPBBUPBCV-JKSUJKDBSA-N 1 3 310.486 2.034 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CC[NH2+][C@H]2C(C)C)N(C)C)cc1 ZINC000289583327 403986733 /nfs/dbraw/zinc/98/67/33/403986733.db2.gz APKJOBXSOJRLDT-SQNIBIBYSA-N 1 3 317.477 2.348 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1C)c1ccco1 ZINC000351917033 404004235 /nfs/dbraw/zinc/00/42/35/404004235.db2.gz KRYQDJYBLLVMML-RRFJBIMHSA-N 1 3 322.453 2.102 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1C)c1ccco1 ZINC000351917033 404004246 /nfs/dbraw/zinc/00/42/46/404004246.db2.gz KRYQDJYBLLVMML-RRFJBIMHSA-N 1 3 322.453 2.102 20 0 DEADHO CC[N@@H+]1CC[C@H](NC[C@]2(CO)C[C@@H]2c2ccccc2)[C@@H](C)C1 ZINC000289884153 404005636 /nfs/dbraw/zinc/00/56/36/404005636.db2.gz SFFXNGRHZIOPDL-NQYYFHDYSA-N 1 3 302.462 2.473 20 0 DEADHO CC[N@H+]1CC[C@H](NC[C@]2(CO)C[C@@H]2c2ccccc2)[C@@H](C)C1 ZINC000289884153 404005640 /nfs/dbraw/zinc/00/56/40/404005640.db2.gz SFFXNGRHZIOPDL-NQYYFHDYSA-N 1 3 302.462 2.473 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCCN(C)CC2)C1 ZINC000337412860 404007048 /nfs/dbraw/zinc/00/70/48/404007048.db2.gz PUVFHCYXRUCTKW-CALCHBBNSA-N 1 3 324.513 2.092 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCCN(C)CC2)C1 ZINC000337412860 404007058 /nfs/dbraw/zinc/00/70/58/404007058.db2.gz PUVFHCYXRUCTKW-CALCHBBNSA-N 1 3 324.513 2.092 20 0 DEADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCCN(C)Cc1ccccc1 ZINC000290069819 404029294 /nfs/dbraw/zinc/02/92/94/404029294.db2.gz VYUWSAPBTZHVRL-NVXWUHKLSA-N 1 3 303.450 2.013 20 0 DEADHO c1cncc(CN2CCC(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000341457957 403977368 /nfs/dbraw/zinc/97/73/68/403977368.db2.gz MPPMMTHEOJOWBS-RTBURBONSA-N 1 3 314.477 2.262 20 0 DEADHO c1cncc(CN2CCC(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000341457957 403977375 /nfs/dbraw/zinc/97/73/75/403977375.db2.gz MPPMMTHEOJOWBS-RTBURBONSA-N 1 3 314.477 2.262 20 0 DEADHO CC(C)N1CCN(CCC[NH2+][C@H]2CCC[C@H]2OC(F)F)CC1 ZINC000348521484 404075739 /nfs/dbraw/zinc/07/57/39/404075739.db2.gz QGAMLJVMNYWFRK-LSDHHAIUSA-N 1 3 319.440 2.152 20 0 DEADHO CN(C)CCN(C(=O)C[C@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000296082245 404085280 /nfs/dbraw/zinc/08/52/80/404085280.db2.gz QPSXCBNWPXRBFR-WBVHZDCISA-N 1 3 303.450 2.489 20 0 DEADHO C[N@@H+]1CCCC[C@H]1CCN1CCC[C@H](N2CCCC2=O)CC1 ZINC000412057039 404097012 /nfs/dbraw/zinc/09/70/12/404097012.db2.gz QAUWXSZOHLQHPP-IRXDYDNUSA-N 1 3 307.482 2.338 20 0 DEADHO C[N@H+]1CCCC[C@H]1CCN1CCC[C@H](N2CCCC2=O)CC1 ZINC000412057039 404097018 /nfs/dbraw/zinc/09/70/18/404097018.db2.gz QAUWXSZOHLQHPP-IRXDYDNUSA-N 1 3 307.482 2.338 20 0 DEADHO CC(C)CCC[C@H](C)NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000320941735 404071324 /nfs/dbraw/zinc/07/13/24/404071324.db2.gz MWVFJFJJHVACSJ-YESZJQIVSA-N 1 3 309.498 2.249 20 0 DEADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000352045413 404107648 /nfs/dbraw/zinc/10/76/48/404107648.db2.gz PHHVUJPFCZAMSW-MRXNPFEDSA-N 1 3 309.454 2.337 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC1CCCC1 ZINC000337586383 404113774 /nfs/dbraw/zinc/11/37/74/404113774.db2.gz SFRXQYJOGZSEEV-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC1CCCC1 ZINC000337586383 404113778 /nfs/dbraw/zinc/11/37/78/404113778.db2.gz SFRXQYJOGZSEEV-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@H]([NH2+]CCc1ccn(C)n1)c1cccc(OCCN(C)C)c1 ZINC000355035878 404171076 /nfs/dbraw/zinc/17/10/76/404171076.db2.gz ISTURYROBVCLHH-HNNXBMFYSA-N 1 3 316.449 2.254 20 0 DEADHO C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C)N1[C@H](C)CC[C@H]1C ZINC000412338492 404252892 /nfs/dbraw/zinc/25/28/92/404252892.db2.gz AQKJYECEXLEONH-OVYGPGRDSA-N 1 3 307.482 2.333 20 0 DEADHO CC(C)N1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000349935304 404266158 /nfs/dbraw/zinc/26/61/58/404266158.db2.gz POWYUHHAWAFSQK-MRXNPFEDSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)N1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000349935304 404266163 /nfs/dbraw/zinc/26/61/63/404266163.db2.gz POWYUHHAWAFSQK-MRXNPFEDSA-N 1 3 322.497 2.129 20 0 DEADHO CN(C)C[C@H]1CC[N@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000338300697 404361483 /nfs/dbraw/zinc/36/14/83/404361483.db2.gz FLVQTOZVQZOYAY-SJORKVTESA-N 1 3 315.461 2.032 20 0 DEADHO CN(C)C[C@H]1CC[N@@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000338300697 404361486 /nfs/dbraw/zinc/36/14/86/404361486.db2.gz FLVQTOZVQZOYAY-SJORKVTESA-N 1 3 315.461 2.032 20 0 DEADHO C[NH+](C)C[C@H]1CCN(C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000338300697 404361489 /nfs/dbraw/zinc/36/14/89/404361489.db2.gz FLVQTOZVQZOYAY-SJORKVTESA-N 1 3 315.461 2.032 20 0 DEADHO CCN(CCNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)C1CC1 ZINC000338474054 404370972 /nfs/dbraw/zinc/37/09/72/404370972.db2.gz GJZZYCQGCVAVLL-QGZVFWFLSA-N 1 3 324.513 2.280 20 0 DEADHO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000370767696 404405827 /nfs/dbraw/zinc/40/58/27/404405827.db2.gz VPOHUQNMYIKRJQ-HZPDHXFCSA-N 1 3 303.450 2.093 20 0 DEADHO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000370767696 404405829 /nfs/dbraw/zinc/40/58/29/404405829.db2.gz VPOHUQNMYIKRJQ-HZPDHXFCSA-N 1 3 303.450 2.093 20 0 DEADHO Cc1cccc(CN2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000342350328 404526553 /nfs/dbraw/zinc/52/65/53/404526553.db2.gz UAVYZUVHMAPUOJ-UHFFFAOYSA-N 1 3 303.450 2.467 20 0 DEADHO C[C@@H]1C[C@@H](C(=O)N2CCCN(CC3CCC3)CC2)CC[N@@H+]1C ZINC000351052407 404506562 /nfs/dbraw/zinc/50/65/62/404506562.db2.gz KPOUSDCDVLOVMV-WBVHZDCISA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1C[C@@H](C(=O)N2CCCN(CC3CCC3)CC2)CC[N@H+]1C ZINC000351052407 404506565 /nfs/dbraw/zinc/50/65/65/404506565.db2.gz KPOUSDCDVLOVMV-WBVHZDCISA-N 1 3 307.482 2.051 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCCN(C)C1CC1 ZINC000352736987 404584993 /nfs/dbraw/zinc/58/49/93/404584993.db2.gz DVIZXTIQPGONCZ-INIZCTEOSA-N 1 3 310.486 2.034 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCCN(C)C1CC1 ZINC000352736987 404585003 /nfs/dbraw/zinc/58/50/03/404585003.db2.gz DVIZXTIQPGONCZ-INIZCTEOSA-N 1 3 310.486 2.034 20 0 DEADHO O=C(c1cccc(CN2CCCC2)c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000291933506 404587060 /nfs/dbraw/zinc/58/70/60/404587060.db2.gz CFFMYDFPTHUFOP-QZTJIDSGSA-N 1 3 313.445 2.106 20 0 DEADHO CN(C)CCNC(=O)C1CC[NH+](CCC2CCCCC2)CC1 ZINC000345166786 404589629 /nfs/dbraw/zinc/58/96/29/404589629.db2.gz OEVYWHDWHGDFQB-UHFFFAOYSA-N 1 3 309.498 2.347 20 0 DEADHO CN(C)[C@]1(C[NH2+]C2CCN(c3ccncc3)CC2)CCSC1 ZINC000297693257 404591837 /nfs/dbraw/zinc/59/18/37/404591837.db2.gz PXMRAUDEXNLRQU-KRWDZBQOSA-N 1 3 320.506 2.077 20 0 DEADHO C[C@H]1CN(c2ccccc2C[N@@H+]2CC[C@@H](CN(C)C)C2)CCO1 ZINC000297286068 404536115 /nfs/dbraw/zinc/53/61/15/404536115.db2.gz ANNPUYNXLYGION-IRXDYDNUSA-N 1 3 317.477 2.295 20 0 DEADHO C[C@H]1CN(c2ccccc2C[N@H+]2CC[C@@H](CN(C)C)C2)CCO1 ZINC000297286068 404536120 /nfs/dbraw/zinc/53/61/20/404536120.db2.gz ANNPUYNXLYGION-IRXDYDNUSA-N 1 3 317.477 2.295 20 0 DEADHO CCCN1CC[C@H](C[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000373296661 404536743 /nfs/dbraw/zinc/53/67/43/404536743.db2.gz OGNICXMFZSWZMA-CQSZACIVSA-N 1 3 308.495 2.433 20 0 DEADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)N(C)Cc1ccccc1 ZINC000291869448 404559867 /nfs/dbraw/zinc/55/98/67/404559867.db2.gz HJGDAUGYBZVDDN-INIZCTEOSA-N 1 3 317.477 2.355 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000338817349 404562535 /nfs/dbraw/zinc/56/25/35/404562535.db2.gz VWOOXWYQYAHWNV-GASCZTMLSA-N 1 3 307.482 2.240 20 0 DEADHO C[N@H+](C[C@@H](O)CN1CCC[C@@H](Cc2ccccc2)C1)C1CC1 ZINC000351487227 404598787 /nfs/dbraw/zinc/59/87/87/404598787.db2.gz BUJCVBYCMWSQBJ-PKOBYXMFSA-N 1 3 302.462 2.396 20 0 DEADHO C[N@@H+](C[C@@H](O)CN1CCC[C@@H](Cc2ccccc2)C1)C1CC1 ZINC000351487227 404598796 /nfs/dbraw/zinc/59/87/96/404598796.db2.gz BUJCVBYCMWSQBJ-PKOBYXMFSA-N 1 3 302.462 2.396 20 0 DEADHO COc1cc(OC)cc(OCCNC2CC[NH+](C3CC3)CC2)c1 ZINC000297729683 404604537 /nfs/dbraw/zinc/60/45/37/404604537.db2.gz SHSMGHRDZQRUNM-UHFFFAOYSA-N 1 3 320.433 2.299 20 0 DEADHO CSc1ccccc1NC(=O)CCN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351493174 404604683 /nfs/dbraw/zinc/60/46/83/404604683.db2.gz MEZHZWDRQPGCJG-IHRRRGAJSA-N 1 3 319.474 2.406 20 0 DEADHO [NH3+][C@@H]1CC[C@H]2CN(CCC(=O)NCc3ccccc3Cl)C[C@@H]12 ZINC000351497861 404611379 /nfs/dbraw/zinc/61/13/79/404611379.db2.gz VAYDFFJDZRQKNW-SQWLQELKSA-N 1 3 321.852 2.015 20 0 DEADHO CCC[N@@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414672954 404705300 /nfs/dbraw/zinc/70/53/00/404705300.db2.gz PUWKINKVILWVHO-QGZVFWFLSA-N 1 3 303.450 2.096 20 0 DEADHO CCC[N@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414672954 404705303 /nfs/dbraw/zinc/70/53/03/404705303.db2.gz PUWKINKVILWVHO-QGZVFWFLSA-N 1 3 303.450 2.096 20 0 DEADHO COC(=O)c1cc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)oc1C ZINC000414774081 404730641 /nfs/dbraw/zinc/73/06/41/404730641.db2.gz FGCUAXFJSBTUBG-KBPBESRZSA-N 1 3 306.406 2.196 20 0 DEADHO CCN(C)c1ccc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000414789256 404736137 /nfs/dbraw/zinc/73/61/37/404736137.db2.gz YFRKMSWKCFFTDW-SJORKVTESA-N 1 3 302.466 2.359 20 0 DEADHO CC(C)[C@H]([NH3+])CNCc1ccccc1N(C)C1CCN(C)CC1 ZINC000414789607 404736357 /nfs/dbraw/zinc/73/63/57/404736357.db2.gz FMLQSFMPTHHLOI-GOSISDBHSA-N 1 3 318.509 2.290 20 0 DEADHO COCCOc1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000414792715 404736929 /nfs/dbraw/zinc/73/69/29/404736929.db2.gz CRWXNLOYCYAQRJ-HOTGVXAUSA-N 1 3 322.449 2.328 20 0 DEADHO COc1ccc(C)cc1CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414795396 404737710 /nfs/dbraw/zinc/73/77/10/404737710.db2.gz WLAJVXWGJXGWRO-AEFFLSMTSA-N 1 3 304.434 2.332 20 0 DEADHO O[C@H]1C[NH2+]C[C@H]1CNCCCCc1ccc(Cl)c(Cl)c1 ZINC000414800269 404738434 /nfs/dbraw/zinc/73/84/34/404738434.db2.gz ZERKDFJSMJCCDZ-DOMZBBRYSA-N 1 3 317.260 2.486 20 0 DEADHO CC[C@@H](C[NH2+]Cc1ccccc1N1CCN(CC)CC1)OC ZINC000353083903 404738973 /nfs/dbraw/zinc/73/89/73/404738973.db2.gz SDLMQJXHELRXSN-KRWDZBQOSA-N 1 3 305.466 2.343 20 0 DEADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)CN(C)C(C)C)[NH+](C)C ZINC000357851546 404746412 /nfs/dbraw/zinc/74/64/12/404746412.db2.gz ASJKEYFCELPRQW-CRAIPNDOSA-N 1 3 305.466 2.443 20 0 DEADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000414901418 404762649 /nfs/dbraw/zinc/76/26/49/404762649.db2.gz FYLLUPAGPLXJCN-KDOFPFPSSA-N 1 3 319.449 2.392 20 0 DEADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@]2(C)CCCNC2)cc1 ZINC000414901418 404762650 /nfs/dbraw/zinc/76/26/50/404762650.db2.gz FYLLUPAGPLXJCN-KDOFPFPSSA-N 1 3 319.449 2.392 20 0 DEADHO CCN1CCN(c2ccccc2CN[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000414933141 404769531 /nfs/dbraw/zinc/76/95/31/404769531.db2.gz ANGRVLJASZRKCE-SJLPKXTDSA-N 1 3 316.493 2.059 20 0 DEADHO CCc1nc(CN2CCN(C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)cs1 ZINC000414684109 404708273 /nfs/dbraw/zinc/70/82/73/404708273.db2.gz CPERHJGOOCLRJP-LSDHHAIUSA-N 1 3 322.522 2.211 20 0 DEADHO CC(C)CC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)C1CCCC1 ZINC000414694025 404709613 /nfs/dbraw/zinc/70/96/13/404709613.db2.gz CPQOCHOCTVOOHG-MRXNPFEDSA-N 1 3 309.498 2.474 20 0 DEADHO CC(C)CC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)C1CCCC1 ZINC000414694025 404709617 /nfs/dbraw/zinc/70/96/17/404709617.db2.gz CPQOCHOCTVOOHG-MRXNPFEDSA-N 1 3 309.498 2.474 20 0 DEADHO CC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H](C)c1ccc(F)cc1 ZINC000414705911 404712911 /nfs/dbraw/zinc/71/29/11/404712911.db2.gz NZAPELYXMZPDDE-LSDHHAIUSA-N 1 3 321.440 2.406 20 0 DEADHO CC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H](C)c1ccc(F)cc1 ZINC000414705911 404712913 /nfs/dbraw/zinc/71/29/13/404712913.db2.gz NZAPELYXMZPDDE-LSDHHAIUSA-N 1 3 321.440 2.406 20 0 DEADHO Cc1ccc(C)c([C@H](C)[N@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)c1 ZINC000414709453 404713126 /nfs/dbraw/zinc/71/31/26/404713126.db2.gz RFHQOAVFGIMKFG-IRXDYDNUSA-N 1 3 317.477 2.494 20 0 DEADHO Cc1ccc(C)c([C@H](C)[N@@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)c1 ZINC000414709453 404713130 /nfs/dbraw/zinc/71/31/30/404713130.db2.gz RFHQOAVFGIMKFG-IRXDYDNUSA-N 1 3 317.477 2.494 20 0 DEADHO CCC[N@H+](CCc1cccs1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414738021 404720295 /nfs/dbraw/zinc/72/02/95/404720295.db2.gz AWSHBFQNSFYFIY-HNNXBMFYSA-N 1 3 323.506 2.200 20 0 DEADHO CCC[N@@H+](CCc1cccs1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414738021 404720298 /nfs/dbraw/zinc/72/02/98/404720298.db2.gz AWSHBFQNSFYFIY-HNNXBMFYSA-N 1 3 323.506 2.200 20 0 DEADHO COc1cc(N2CCN(C[C@@H]3CC[NH2+][C@H](C)C3)CC2)ccc1F ZINC000414760532 404726731 /nfs/dbraw/zinc/72/67/31/404726731.db2.gz HFQPUWUMYOLVPB-HUUCEWRRSA-N 1 3 321.440 2.344 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H]2CC[C@H](O)C2)CC1 ZINC000353231654 404776807 /nfs/dbraw/zinc/77/68/07/404776807.db2.gz BXLMYECWZAMDKF-WMZOPIPTSA-N 1 3 317.477 2.079 20 0 DEADHO CCOc1c(CN[C@@H]2CC[C@@H](C[NH3+])C2)c(C)nn1CC(C)C ZINC000415031200 404791580 /nfs/dbraw/zinc/79/15/80/404791580.db2.gz GUDRGQXSTYPTLY-HUUCEWRRSA-N 1 3 308.470 2.463 20 0 DEADHO COC(=O)c1ccc(CN[C@H](CCC[NH3+])c2ccccc2)[nH]1 ZINC000415057243 404798323 /nfs/dbraw/zinc/79/83/23/404798323.db2.gz RLWPLSNIFAXFIA-OAHLLOKOSA-N 1 3 301.390 2.371 20 0 DEADHO CCc1noc(-c2ccc(CCNC[C@@]3(C)CC[NH2+]C3)cc2)n1 ZINC000415075414 404801469 /nfs/dbraw/zinc/80/14/69/404801469.db2.gz FEQYYDYTZKAPSB-GOSISDBHSA-N 1 3 314.433 2.431 20 0 DEADHO C[C@H](C[C@@H]1CCC[NH2+]1)NCC1(N2CCOCC2)CCCCC1 ZINC000415097714 404807464 /nfs/dbraw/zinc/80/74/64/404807464.db2.gz DDHNTHDXWHCBRY-SJORKVTESA-N 1 3 309.498 2.142 20 0 DEADHO COc1ccsc1CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415104546 404809175 /nfs/dbraw/zinc/80/91/75/404809175.db2.gz HCXQBUIUWWZIPO-CZUORRHYSA-N 1 3 310.463 2.475 20 0 DEADHO NCc1cn([C@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)nn1 ZINC000415121900 404812617 /nfs/dbraw/zinc/81/26/17/404812617.db2.gz HRCVTDXHLIZEGY-KRWDZBQOSA-N 1 3 322.416 2.122 20 0 DEADHO NCc1cn([C@H]2CCC[N@@H+](Cc3ccc4ncccc4c3)C2)nn1 ZINC000415121900 404812619 /nfs/dbraw/zinc/81/26/19/404812619.db2.gz HRCVTDXHLIZEGY-KRWDZBQOSA-N 1 3 322.416 2.122 20 0 DEADHO COc1cccc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000415129992 404814693 /nfs/dbraw/zinc/81/46/93/404814693.db2.gz WBCGPNKXZISHRT-WMZOPIPTSA-N 1 3 304.434 2.414 20 0 DEADHO N[C@@H]1CCC[C@H]([NH2+]CCCC(=O)N2CCc3ccccc32)C1 ZINC000568248201 292325987 /nfs/dbraw/zinc/32/59/87/292325987.db2.gz KHJQOUOOVMOALO-CVEARBPZSA-N 1 3 301.434 2.215 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000353468540 404839176 /nfs/dbraw/zinc/83/91/76/404839176.db2.gz OPRVSXHCQGWSTH-RANZSIQMSA-N 1 3 315.461 2.326 20 0 DEADHO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCCN(C2CCCC2)CC1 ZINC000353448440 404833666 /nfs/dbraw/zinc/83/36/66/404833666.db2.gz MNNSDDMOUIQWPF-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO CSC1(C[N@H+](C)[C@H]2CCN(C3CCN(C)CC3)C2)CCC1 ZINC000378132980 404873811 /nfs/dbraw/zinc/87/38/11/404873811.db2.gz QVFKQMAWCUXIJF-INIZCTEOSA-N 1 3 311.539 2.372 20 0 DEADHO CSC1(C[N@@H+](C)[C@H]2CCN(C3CCN(C)CC3)C2)CCC1 ZINC000378132980 404873816 /nfs/dbraw/zinc/87/38/16/404873816.db2.gz QVFKQMAWCUXIJF-INIZCTEOSA-N 1 3 311.539 2.372 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000415564633 404885272 /nfs/dbraw/zinc/88/52/72/404885272.db2.gz HXFICHLSOHLXKH-NVXWUHKLSA-N 1 3 318.465 2.430 20 0 DEADHO COc1cc(CN2CCC(OCC[NH+](C)C)CC2)cc(OC)c1 ZINC000353543401 404861492 /nfs/dbraw/zinc/86/14/92/404861492.db2.gz NOUJQIPMGAWRMS-UHFFFAOYSA-N 1 3 322.449 2.246 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)CNC2CC[NH+](C3CC3)CC2)c1 ZINC000568255004 292327274 /nfs/dbraw/zinc/32/72/74/292327274.db2.gz YJVBCEOMZIQZPF-GOSISDBHSA-N 1 3 318.461 2.260 20 0 DEADHO COC[C@]1(CN[C@@H]2CC[N@H+](C)C[C@H]2C)OCCc2ccccc21 ZINC000353562405 404866242 /nfs/dbraw/zinc/86/62/42/404866242.db2.gz CFBNARPSTKMHII-LZQZEXGQSA-N 1 3 318.461 2.031 20 0 DEADHO COC[C@]1(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)OCCc2ccccc21 ZINC000353562405 404866245 /nfs/dbraw/zinc/86/62/45/404866245.db2.gz CFBNARPSTKMHII-LZQZEXGQSA-N 1 3 318.461 2.031 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000423977928 404956487 /nfs/dbraw/zinc/95/64/87/404956487.db2.gz WGDVUPOPTBTFHD-BFYDXBDKSA-N 1 3 303.450 2.456 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)[C@@H](C2CC2)N2CCCC2)CC1 ZINC000353680377 404917023 /nfs/dbraw/zinc/91/70/23/404917023.db2.gz UEKJABOPHIHPJP-QGZVFWFLSA-N 1 3 307.482 2.097 20 0 DEADHO NC1(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCCCC1 ZINC000423898289 404918470 /nfs/dbraw/zinc/91/84/70/404918470.db2.gz ICXDPEWNLVHMIQ-GDBMZVCRSA-N 1 3 305.466 2.123 20 0 DEADHO NC1(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCCCC1 ZINC000423898289 404918472 /nfs/dbraw/zinc/91/84/72/404918472.db2.gz ICXDPEWNLVHMIQ-GDBMZVCRSA-N 1 3 305.466 2.123 20 0 DEADHO CC[C@H](N)C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423903673 404921402 /nfs/dbraw/zinc/92/14/02/404921402.db2.gz NKTKGMDQEJPUOA-XIRDDKMYSA-N 1 3 303.450 2.141 20 0 DEADHO CC[C@H](N)C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423903673 404921418 /nfs/dbraw/zinc/92/14/18/404921418.db2.gz NKTKGMDQEJPUOA-XIRDDKMYSA-N 1 3 303.450 2.141 20 0 DEADHO CC(C)(CNC(=O)NCC1([NH3+])CCCCC1)N1CCCCC1 ZINC000416819576 404922770 /nfs/dbraw/zinc/92/27/70/404922770.db2.gz BIIXRDMJDATOGB-UHFFFAOYSA-N 1 3 310.486 2.212 20 0 DEADHO C[C@@H](C[NH3+])NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000416830400 404926793 /nfs/dbraw/zinc/92/67/93/404926793.db2.gz GWTWTAFYVMTSMN-KBPBESRZSA-N 1 3 324.494 2.168 20 0 DEADHO CCN(CC)[C@H](CNC(=O)NC[C@H]([NH3+])C(C)C)c1ccccc1 ZINC000416839456 404930896 /nfs/dbraw/zinc/93/08/96/404930896.db2.gz KAXGQGDMIZRDGK-DLBZAZTESA-N 1 3 320.481 2.352 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)NC(C)(C)C[NH3+])c1ccsc1 ZINC000417014127 405001657 /nfs/dbraw/zinc/00/16/57/405001657.db2.gz ZNDBMRWGHZHFSL-ZDUSSCGKSA-N 1 3 312.483 2.168 20 0 DEADHO C[C@H](CN(C)C)NC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000354021564 405007038 /nfs/dbraw/zinc/00/70/38/405007038.db2.gz YGIXSIIGUXDAPN-CVEARBPZSA-N 1 3 320.481 2.146 20 0 DEADHO C[C@H](CN(C)C)NC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000354021564 405007043 /nfs/dbraw/zinc/00/70/43/405007043.db2.gz YGIXSIIGUXDAPN-CVEARBPZSA-N 1 3 320.481 2.146 20 0 DEADHO CN1CC[C@]2(CCN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC000568309983 292331184 /nfs/dbraw/zinc/33/11/84/292331184.db2.gz DYVKBSCBEJJIQL-SFHVURJKSA-N 1 3 307.482 2.195 20 0 DEADHO CN1CC[C@]2(CCN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC000568309983 292331185 /nfs/dbraw/zinc/33/11/85/292331185.db2.gz DYVKBSCBEJJIQL-SFHVURJKSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@@H]1CN(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)[C@H](C)CN1 ZINC000417046809 405017529 /nfs/dbraw/zinc/01/75/29/405017529.db2.gz PXYSMTJHRNREDB-BZUAXINKSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1CN(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)[C@H](C)CN1 ZINC000417046809 405017537 /nfs/dbraw/zinc/01/75/37/405017537.db2.gz PXYSMTJHRNREDB-BZUAXINKSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000417074751 405027180 /nfs/dbraw/zinc/02/71/80/405027180.db2.gz UOYQBYOSNCOFER-RHSMWYFYSA-N 1 3 318.465 2.017 20 0 DEADHO CN(C)[C@H](CC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000416126518 405029027 /nfs/dbraw/zinc/02/90/27/405029027.db2.gz BSNYOCDXXWZWAD-CRAIPNDOSA-N 1 3 315.461 2.280 20 0 DEADHO CN(C)[C@H](CC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000416126518 405029030 /nfs/dbraw/zinc/02/90/30/405029030.db2.gz BSNYOCDXXWZWAD-CRAIPNDOSA-N 1 3 315.461 2.280 20 0 DEADHO COC1CCN(C2(C[NH2+][C@H]3CCN(C)C[C@H]3C)CCCC2)CC1 ZINC000361232354 404985152 /nfs/dbraw/zinc/98/51/52/404985152.db2.gz NIENDXBFHRLFNQ-AEFFLSMTSA-N 1 3 323.525 2.340 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])c1ccsc1 ZINC000417006579 404997697 /nfs/dbraw/zinc/99/76/97/404997697.db2.gz JSYXWVNMFBPXKZ-MBNYWOFBSA-N 1 3 312.483 2.166 20 0 DEADHO C[C@H](CNC(=O)NCC1([NH3+])CCCCC1)N1CCC[C@H](C)C1 ZINC000417009336 404999408 /nfs/dbraw/zinc/99/94/08/404999408.db2.gz KGOZIDKQXQFGDU-LSDHHAIUSA-N 1 3 310.486 2.068 20 0 DEADHO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc4c(c3)CNC4)CC[C@@H]21 ZINC000415995836 405000672 /nfs/dbraw/zinc/00/06/72/405000672.db2.gz LWAANPMCNZERIA-YOEHRIQHSA-N 1 3 314.433 2.238 20 0 DEADHO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc4c(c3)CNC4)CC[C@@H]21 ZINC000415995836 405000674 /nfs/dbraw/zinc/00/06/74/405000674.db2.gz LWAANPMCNZERIA-YOEHRIQHSA-N 1 3 314.433 2.238 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000389991084 405043656 /nfs/dbraw/zinc/04/36/56/405043656.db2.gz OGECRPAMCWAZPO-DDBAPUKQSA-N 1 3 315.461 2.141 20 0 DEADHO COc1cc2c(cc1CNCC1=CC[N@H+](C)CC1)O[C@@H](C)C2 ZINC000392264338 405052227 /nfs/dbraw/zinc/05/22/27/405052227.db2.gz UROHVFGMXXRQPU-ZDUSSCGKSA-N 1 3 302.418 2.370 20 0 DEADHO COc1cc2c(cc1CNCC1=CC[N@@H+](C)CC1)O[C@@H](C)C2 ZINC000392264338 405052231 /nfs/dbraw/zinc/05/22/31/405052231.db2.gz UROHVFGMXXRQPU-ZDUSSCGKSA-N 1 3 302.418 2.370 20 0 DEADHO C[C@@H](NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)c1cccs1 ZINC000424283780 405057732 /nfs/dbraw/zinc/05/77/32/405057732.db2.gz CBDXHPKQGKDHKW-UONOGXRCSA-N 1 3 321.490 2.389 20 0 DEADHO [NH3+]C[C@H](CN1CCC(n2ccnc2)CC1)c1ccc(F)cc1 ZINC000424305255 405064280 /nfs/dbraw/zinc/06/42/80/405064280.db2.gz RWWZZTYSUWQKQV-OAHLLOKOSA-N 1 3 302.397 2.402 20 0 DEADHO NC[C@H](C[NH+]1CCC(n2ccnc2)CC1)c1ccc(F)cc1 ZINC000424305255 405064283 /nfs/dbraw/zinc/06/42/83/405064283.db2.gz RWWZZTYSUWQKQV-OAHLLOKOSA-N 1 3 302.397 2.402 20 0 DEADHO CC1(C)[C@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@H]2CCO[C@H]21 ZINC000436471030 405085189 /nfs/dbraw/zinc/08/51/89/405085189.db2.gz PEQZTEVCHQQPNC-BRWVUGGUSA-N 1 3 301.434 2.454 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)NCCC[NH2+]C2CC2)N(C)C)cc1 ZINC000417311416 405086499 /nfs/dbraw/zinc/08/64/99/405086499.db2.gz LRUPXHLHHOJDEC-QGZVFWFLSA-N 1 3 318.465 2.039 20 0 DEADHO CC[NH2+]CCNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000417354272 405087295 /nfs/dbraw/zinc/08/72/95/405087295.db2.gz LRADZYCBVNBEGM-QGZVFWFLSA-N 1 3 318.465 2.041 20 0 DEADHO CC(C)[C@@H]([NH3+])CNC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000418171624 405114491 /nfs/dbraw/zinc/11/44/91/405114491.db2.gz OGAAVNAXBNGVCD-INIZCTEOSA-N 1 3 324.513 2.315 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000418232421 405118365 /nfs/dbraw/zinc/11/83/65/405118365.db2.gz DPQYNPCQBFDEFM-IKGGRYGDSA-N 1 3 324.513 2.266 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000418359720 405123466 /nfs/dbraw/zinc/12/34/66/405123466.db2.gz SFKMRSUOPKTFQB-IXDOHACOSA-N 1 3 318.465 2.379 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000418359721 405123478 /nfs/dbraw/zinc/12/34/78/405123478.db2.gz SFKMRSUOPKTFQB-YESZJQIVSA-N 1 3 318.465 2.379 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418644673 405147382 /nfs/dbraw/zinc/14/73/82/405147382.db2.gz QNKMATVAMHXQHQ-OWCLPIDISA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418648603 405148836 /nfs/dbraw/zinc/14/88/36/405148836.db2.gz VMRXWMKGJKEHJP-GOEBONIOSA-N 1 3 324.513 2.136 20 0 DEADHO CN1CC=C(CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000418662423 405157330 /nfs/dbraw/zinc/15/73/30/405157330.db2.gz SZZYYJNVJDKJFM-KRWDZBQOSA-N 1 3 316.449 2.028 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000418688175 405167211 /nfs/dbraw/zinc/16/72/11/405167211.db2.gz ATHKEDPSLWWHQR-WBVHZDCISA-N 1 3 318.465 2.030 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418718630 405178809 /nfs/dbraw/zinc/17/88/09/405178809.db2.gz HVPZYAFRNQUXKE-DLBZAZTESA-N 1 3 318.465 2.030 20 0 DEADHO CC[C@@H]([NH3+])CNC(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000418719841 405180897 /nfs/dbraw/zinc/18/08/97/405180897.db2.gz INLAWKUCBNCOCM-MRXNPFEDSA-N 1 3 306.454 2.017 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000418744197 405190760 /nfs/dbraw/zinc/19/07/60/405190760.db2.gz BTWXZGXGSSIKBU-MRXNPFEDSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@H]1CCC[C@@](CNC(=O)C23CCCN2CCC3)([NH+](C)C)C1 ZINC000368011924 405215984 /nfs/dbraw/zinc/21/59/84/405215984.db2.gz LIHXNDVJGPORJR-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO OCCOCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453068479 405280789 /nfs/dbraw/zinc/28/07/89/405280789.db2.gz AHTVHUXZYCDNAN-GUDVDZBRSA-N 1 3 318.461 2.028 20 0 DEADHO OCCOCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453068479 405280791 /nfs/dbraw/zinc/28/07/91/405280791.db2.gz AHTVHUXZYCDNAN-GUDVDZBRSA-N 1 3 318.461 2.028 20 0 DEADHO CN(C)C1(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCC1 ZINC000438519982 405249344 /nfs/dbraw/zinc/24/93/44/405249344.db2.gz UOYPJXKITYUJAI-OAHLLOKOSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C)C1(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCC1 ZINC000438519982 405249347 /nfs/dbraw/zinc/24/93/47/405249347.db2.gz UOYPJXKITYUJAI-OAHLLOKOSA-N 1 3 307.482 2.242 20 0 DEADHO COc1ccc([C@@H](C[NH3+])CN(CCCO)CC(C)(C)C)cc1 ZINC000420294953 405309311 /nfs/dbraw/zinc/30/93/11/405309311.db2.gz BOPUYWNWIMWALZ-INIZCTEOSA-N 1 3 308.466 2.468 20 0 DEADHO CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H](C)N(C)C ZINC000454213726 405310366 /nfs/dbraw/zinc/31/03/66/405310366.db2.gz NZFFDGAQTJBIMC-HNNXBMFYSA-N 1 3 320.481 2.278 20 0 DEADHO Cc1ccc(C)c(OC2CCN(CCN3CC[NH2+]CC3)CC2)c1 ZINC000420300547 405310734 /nfs/dbraw/zinc/31/07/34/405310734.db2.gz IABBYPXYDURFKQ-UHFFFAOYSA-N 1 3 317.477 2.052 20 0 DEADHO CCOc1ccccc1NC(=O)CCN[C@@](C)(C[NH3+])C(C)C ZINC000420322910 405319236 /nfs/dbraw/zinc/31/92/36/405319236.db2.gz SSMAQHVOINZRFD-KRWDZBQOSA-N 1 3 307.438 2.377 20 0 DEADHO Fc1ccc2c(c1)[C@H](N1CC[C@H](N3CC[NH2+]CC3)C1)CCC2 ZINC000420351584 405329426 /nfs/dbraw/zinc/32/94/26/405329426.db2.gz XKLRTUYMHIGDBN-FUHWJXTLSA-N 1 3 303.425 2.183 20 0 DEADHO C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)CN(C)C ZINC000425946311 405332173 /nfs/dbraw/zinc/33/21/73/405332173.db2.gz VFTQNPRTYPRXHJ-JFIYKMOQSA-N 1 3 304.482 2.079 20 0 DEADHO [NH3+][C@H]1CCO[C@@H](C2CCN(CCOc3ccccc3)CC2)C1 ZINC000420393753 405342688 /nfs/dbraw/zinc/34/26/88/405342688.db2.gz QYKRAMXHDGOGKN-FUHWJXTLSA-N 1 3 304.434 2.284 20 0 DEADHO C[NH+](C)C1(CNC(=O)N2CCN(C3CCCCC3)CC2)CCC1 ZINC000446621513 405387239 /nfs/dbraw/zinc/38/72/39/405387239.db2.gz WWCJFKXFCHVCSU-UHFFFAOYSA-N 1 3 322.497 2.131 20 0 DEADHO C[C@@H](CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)N(C)C ZINC000455427679 405408124 /nfs/dbraw/zinc/40/81/24/405408124.db2.gz GRAPASQXVXEHGK-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO CCN1CCC([N@@H+]2CCCN(Cc3ncccc3C)CC2)CC1 ZINC000420984647 405421070 /nfs/dbraw/zinc/42/10/70/405421070.db2.gz UCJVEDWFMGPHSL-UHFFFAOYSA-N 1 3 316.493 2.382 20 0 DEADHO CCN1CCC([N@H+]2CCCN(Cc3ncccc3C)CC2)CC1 ZINC000420984647 405421073 /nfs/dbraw/zinc/42/10/73/405421073.db2.gz UCJVEDWFMGPHSL-UHFFFAOYSA-N 1 3 316.493 2.382 20 0 DEADHO CC[NH+]1CCC(N2CCCN(Cc3ncccc3C)CC2)CC1 ZINC000420984647 405421076 /nfs/dbraw/zinc/42/10/76/405421076.db2.gz UCJVEDWFMGPHSL-UHFFFAOYSA-N 1 3 316.493 2.382 20 0 DEADHO CC(C)[C@@H](N)C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000427923650 405421109 /nfs/dbraw/zinc/42/11/09/405421109.db2.gz GNJPIFWNAVHCFP-BPQIPLTHSA-N 1 3 317.477 2.387 20 0 DEADHO CC(C)[C@@H](N)C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000427923650 405421111 /nfs/dbraw/zinc/42/11/11/405421111.db2.gz GNJPIFWNAVHCFP-BPQIPLTHSA-N 1 3 317.477 2.387 20 0 DEADHO C[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)N(C)C ZINC000455858212 405456637 /nfs/dbraw/zinc/45/66/37/405456637.db2.gz PBMXVDHIKHTKKC-BLLLJJGKSA-N 1 3 304.438 2.307 20 0 DEADHO CSc1ccccc1NC(=O)CCN[C@](C)(C[NH3+])C1CC1 ZINC000430566594 405458935 /nfs/dbraw/zinc/45/89/35/405458935.db2.gz CNWYYMHNXFUYHO-MRXNPFEDSA-N 1 3 307.463 2.454 20 0 DEADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)NCCc2ccccc2)CC1 ZINC000430581353 405461132 /nfs/dbraw/zinc/46/11/32/405461132.db2.gz HGWBAECLTZVOJH-INIZCTEOSA-N 1 3 317.477 2.055 20 0 DEADHO COc1ccc(NC(=O)CCN2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000430594133 405463731 /nfs/dbraw/zinc/46/37/31/405463731.db2.gz JVTDZGJNFWECOO-KBPBESRZSA-N 1 3 305.422 2.083 20 0 DEADHO OCCN1CCN(CCCC[NH2+]C2CC3(C2)CCCCC3)CC1 ZINC000421338187 405465416 /nfs/dbraw/zinc/46/54/16/405465416.db2.gz BUOUKJDKKMKAHY-UHFFFAOYSA-N 1 3 323.525 2.079 20 0 DEADHO N[C@@H]1CCCCC[C@@H]1[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000577720361 405497706 /nfs/dbraw/zinc/49/77/06/405497706.db2.gz UFAYTRJLCSIEDH-MSOLQXFVSA-N 1 3 302.466 2.296 20 0 DEADHO [NH3+][C@@H]1CCCCC[C@@H]1NC1CCN(Cc2ccncc2)CC1 ZINC000577720361 405497714 /nfs/dbraw/zinc/49/77/14/405497714.db2.gz UFAYTRJLCSIEDH-MSOLQXFVSA-N 1 3 302.466 2.296 20 0 DEADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC000635746987 405469477 /nfs/dbraw/zinc/46/94/77/405469477.db2.gz NTMQFAALGCEBGK-HNNXBMFYSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H](NC(=O)[C@H](C)N1CCC(C[NH3+])CC1)c1ccc(F)cc1 ZINC000430640111 405476651 /nfs/dbraw/zinc/47/66/51/405476651.db2.gz JSMJFTMEVZCTHY-OLZOCXBDSA-N 1 3 307.413 2.062 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)CC[N@@H+]1C ZINC000633182957 405489053 /nfs/dbraw/zinc/48/90/53/405489053.db2.gz UQWUXRAZQOJTFC-HYVNUMGLSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)CC[N@H+]1C ZINC000633182957 405489066 /nfs/dbraw/zinc/48/90/66/405489066.db2.gz UQWUXRAZQOJTFC-HYVNUMGLSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)N1CC[C@H](N(C)C(=O)N[C@H](C)C[NH+]2CCCCCC2)C1 ZINC000458652530 405523762 /nfs/dbraw/zinc/52/37/62/405523762.db2.gz KEJPNXURUMMXFO-SJORKVTESA-N 1 3 324.513 2.375 20 0 DEADHO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CCC([C@H](C)[NH3+])CC1 ZINC000430915019 405526001 /nfs/dbraw/zinc/52/60/01/405526001.db2.gz BGAKKCQARXNBAN-SOUVJXGZSA-N 1 3 315.461 2.412 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@H]1CC[NH2+][C@H]1C ZINC000577863392 405530041 /nfs/dbraw/zinc/53/00/41/405530041.db2.gz BCQSUARBUZWFRH-YOEHRIQHSA-N 1 3 303.450 2.095 20 0 DEADHO NCc1cccc2c1N(C(=O)CCC1CC[NH2+]CC1)CCC2 ZINC000638544083 405539469 /nfs/dbraw/zinc/53/94/69/405539469.db2.gz HPBNCBCGTWUEHF-UHFFFAOYSA-N 1 3 301.434 2.204 20 0 DEADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC000635848403 405551865 /nfs/dbraw/zinc/55/18/65/405551865.db2.gz DHEPERYKRFAXBK-NVXWUHKLSA-N 1 3 317.477 2.444 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000528285974 405552370 /nfs/dbraw/zinc/55/23/70/405552370.db2.gz DJJTWDQUAIYKJT-IRXDYDNUSA-N 1 3 322.497 2.129 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000528285974 405552371 /nfs/dbraw/zinc/55/23/71/405552371.db2.gz DJJTWDQUAIYKJT-IRXDYDNUSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(CO)cc2)C[C@H](C)O1 ZINC000638682231 405616028 /nfs/dbraw/zinc/61/60/28/405616028.db2.gz UIQWOKVVQPLGFG-HOTGVXAUSA-N 1 3 306.450 2.158 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1[C@@H](C)[C@@H]1C1CC1 ZINC000528338119 405568822 /nfs/dbraw/zinc/56/88/22/405568822.db2.gz UOTFHFBHPTVSTO-DZOHQFGASA-N 1 3 321.509 2.153 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1[C@@H](C)[C@@H]1C1CC1 ZINC000528338119 405568825 /nfs/dbraw/zinc/56/88/25/405568825.db2.gz UOTFHFBHPTVSTO-DZOHQFGASA-N 1 3 321.509 2.153 20 0 DEADHO [NH3+][C@H]1CCCC[C@H]1CC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000449520786 405594735 /nfs/dbraw/zinc/59/47/35/405594735.db2.gz QEQISTWJXHJKGA-FZMZJTMJSA-N 1 3 305.397 2.318 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000449646908 405658539 /nfs/dbraw/zinc/65/85/39/405658539.db2.gz OUJNTDVNUOUALI-UOJCXKCYSA-N 1 3 321.440 2.008 20 0 DEADHO COc1cc(CN(C)C)ccc1NC(=O)C1(C[NH+](C)C)CC1 ZINC000636012800 405677169 /nfs/dbraw/zinc/67/71/69/405677169.db2.gz FCYVGHNSJPRHRK-UHFFFAOYSA-N 1 3 305.422 2.037 20 0 DEADHO CC[C@H](CN[C@@H]1C[NH2+]CC[C@@H]1C)N1CCc2ccccc2C1 ZINC000422807046 405684488 /nfs/dbraw/zinc/68/44/88/405684488.db2.gz LUJWAVGFUULQCS-KFKAGJAMSA-N 1 3 301.478 2.411 20 0 DEADHO CC[C@H](C[NH2+][C@@H]1CNCC[C@@H]1C)N1CCc2ccccc2C1 ZINC000422807046 405684491 /nfs/dbraw/zinc/68/44/91/405684491.db2.gz LUJWAVGFUULQCS-KFKAGJAMSA-N 1 3 301.478 2.411 20 0 DEADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCCN1CC=CCC1 ZINC000423096305 405701379 /nfs/dbraw/zinc/70/13/79/405701379.db2.gz OQYMAUWTLAPKBK-HKUYNNGSSA-N 1 3 313.445 2.094 20 0 DEADHO CN(C(=O)c1cccc(CN2CCCC2)c1)C1(C[NH3+])CCC1 ZINC000449687204 405692977 /nfs/dbraw/zinc/69/29/77/405692977.db2.gz OKOBHSFQQXTZFP-UHFFFAOYSA-N 1 3 301.434 2.236 20 0 DEADHO CCC(O)(CC)CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422971543 405693261 /nfs/dbraw/zinc/69/32/61/405693261.db2.gz JBQNTQWXVKTHKI-CRAIPNDOSA-N 1 3 304.434 2.383 20 0 DEADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)C1 ZINC000423001130 405695409 /nfs/dbraw/zinc/69/54/09/405695409.db2.gz WRPIVMSVQUWHFQ-FCGDIQPGSA-N 1 3 323.525 2.101 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC000457106730 405704609 /nfs/dbraw/zinc/70/46/09/405704609.db2.gz DNDSNXUIPFRYLK-KRWDZBQOSA-N 1 3 303.450 2.303 20 0 DEADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC000457106730 405704615 /nfs/dbraw/zinc/70/46/15/405704615.db2.gz DNDSNXUIPFRYLK-KRWDZBQOSA-N 1 3 303.450 2.303 20 0 DEADHO CC1([NH+]2CCCC2)CCN(C(=O)[C@@H](CN)c2ccccc2)CC1 ZINC000638859556 405720432 /nfs/dbraw/zinc/72/04/32/405720432.db2.gz OMUYPQDENITFKS-KRWDZBQOSA-N 1 3 315.461 2.206 20 0 DEADHO Clc1cc2c(c(Cl)c1)CC[C@@H]2NCCN1CC[NH2+]CC1 ZINC000423203703 405720701 /nfs/dbraw/zinc/72/07/01/405720701.db2.gz MYJBYXDNVSKRAQ-HNNXBMFYSA-N 1 3 314.260 2.476 20 0 DEADHO Clc1cccc2c1OCCC[C@@H]2NCCN1CC[NH2+]CC1 ZINC000423200484 405721600 /nfs/dbraw/zinc/72/16/00/405721600.db2.gz FUTYZYHEAYWHOD-HNNXBMFYSA-N 1 3 309.841 2.049 20 0 DEADHO C[N@H+](CCCNC(=O)[C@H]1CCCN1C1CC1)C1CCCCC1 ZINC000494578822 405723360 /nfs/dbraw/zinc/72/33/60/405723360.db2.gz IOHUGNNJCWEIIW-QGZVFWFLSA-N 1 3 307.482 2.384 20 0 DEADHO C[N@@H+](CCCNC(=O)[C@H]1CCCN1C1CC1)C1CCCCC1 ZINC000494578822 405723364 /nfs/dbraw/zinc/72/33/64/405723364.db2.gz IOHUGNNJCWEIIW-QGZVFWFLSA-N 1 3 307.482 2.384 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H]([NH3+])C1CCC1)c1ccsc1 ZINC000423321355 405760696 /nfs/dbraw/zinc/76/06/96/405760696.db2.gz HKASCCPLMZXQRU-HUUCEWRRSA-N 1 3 309.479 2.375 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@@H](O)COCc2ccccc2)C1 ZINC000568750862 292364754 /nfs/dbraw/zinc/36/47/54/292364754.db2.gz MXOKXDLBLCJOIW-RTBURBONSA-N 1 3 320.477 2.274 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC[C@@H](O)COCc2ccccc2)C1 ZINC000568750862 292364756 /nfs/dbraw/zinc/36/47/56/292364756.db2.gz MXOKXDLBLCJOIW-RTBURBONSA-N 1 3 320.477 2.274 20 0 DEADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](O)COCc2ccccc2)C1 ZINC000568750862 292364758 /nfs/dbraw/zinc/36/47/58/292364758.db2.gz MXOKXDLBLCJOIW-RTBURBONSA-N 1 3 320.477 2.274 20 0 DEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000568750839 292364873 /nfs/dbraw/zinc/36/48/73/292364873.db2.gz LZIRYXLVYBDRKL-BZUAXINKSA-N 1 3 310.413 2.028 20 0 DEADHO CC(C)N1CC[C@@H](N(C)C(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC000459091303 405739925 /nfs/dbraw/zinc/73/99/25/405739925.db2.gz DZXHZVSAPJQSRV-QGZVFWFLSA-N 1 3 322.497 2.127 20 0 DEADHO CC[C@@H](CNC(=O)[C@@H]([NH3+])C1CCC1)N1CCc2ccccc2C1 ZINC000423319970 405759578 /nfs/dbraw/zinc/75/95/78/405759578.db2.gz FVCMPVHHCYXNAA-ROUUACIJSA-N 1 3 315.461 2.067 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000583558828 405759861 /nfs/dbraw/zinc/75/98/61/405759861.db2.gz MOIXWAYJNGDZIW-YPMHNXCESA-N 1 3 316.371 2.136 20 0 DEADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000459158213 405776938 /nfs/dbraw/zinc/77/69/38/405776938.db2.gz MZBOTXRDZNBGMP-OAHLLOKOSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000459158213 405776944 /nfs/dbraw/zinc/77/69/44/405776944.db2.gz MZBOTXRDZNBGMP-OAHLLOKOSA-N 1 3 324.513 2.233 20 0 DEADHO Cc1ccc([C@@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000423390136 405786474 /nfs/dbraw/zinc/78/64/74/405786474.db2.gz OGGXZKLHHLZNRF-HIFRSBDPSA-N 1 3 315.383 2.482 20 0 DEADHO C[C@H]1CCN(CC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000583943453 405793589 /nfs/dbraw/zinc/79/35/89/405793589.db2.gz KPUURKBYUFHAMY-HNNXBMFYSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000583943454 405794138 /nfs/dbraw/zinc/79/41/38/405794138.db2.gz KPUURKBYUFHAMY-OAHLLOKOSA-N 1 3 307.482 2.099 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000639002192 405815359 /nfs/dbraw/zinc/81/53/59/405815359.db2.gz ZRGXLEKXLMPPCQ-ROUUACIJSA-N 1 3 315.461 2.075 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)CC[NH2+]C(C)C)C2)cc1 ZINC000639004710 405816126 /nfs/dbraw/zinc/81/61/26/405816126.db2.gz JFXSEVWYACZVRS-KRWDZBQOSA-N 1 3 303.450 2.074 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000639005461 405817050 /nfs/dbraw/zinc/81/70/50/405817050.db2.gz NDTSGYUIWNEYJO-BZSNNMDCSA-N 1 3 315.461 2.074 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)C[C@H]([NH3+])C(C)C)C2)cc1 ZINC000639006105 405817610 /nfs/dbraw/zinc/81/76/10/405817610.db2.gz SGEISNGMEMGHSG-IRXDYDNUSA-N 1 3 303.450 2.059 20 0 DEADHO CN(CC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)CC(C)(C)C ZINC000636239133 405831298 /nfs/dbraw/zinc/83/12/98/405831298.db2.gz YVWMSTUCRVWATA-INIZCTEOSA-N 1 3 309.498 2.203 20 0 DEADHO CN(CC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)CC(C)(C)C ZINC000636239133 405831301 /nfs/dbraw/zinc/83/13/01/405831301.db2.gz YVWMSTUCRVWATA-INIZCTEOSA-N 1 3 309.498 2.203 20 0 DEADHO CN(C)CCN(C(=O)NCC[C@H]1CCC[N@H+](C)C1)C1CCCC1 ZINC000459260213 405824223 /nfs/dbraw/zinc/82/42/23/405824223.db2.gz KOQYZOMRAYVPAS-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO CN(C)CCN(C(=O)NCC[C@H]1CCC[N@@H+](C)C1)C1CCCC1 ZINC000459260213 405824232 /nfs/dbraw/zinc/82/42/32/405824232.db2.gz KOQYZOMRAYVPAS-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CNCCCO2)C1 ZINC000423492526 405825021 /nfs/dbraw/zinc/82/50/21/405825021.db2.gz NJMMSWNZPFKLKD-IKGGRYGDSA-N 1 3 303.450 2.384 20 0 DEADHO Cc1cccnc1[C@@H]1CCC[C@H](NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000423492526 405825025 /nfs/dbraw/zinc/82/50/25/405825025.db2.gz NJMMSWNZPFKLKD-IKGGRYGDSA-N 1 3 303.450 2.384 20 0 DEADHO C[C@H]([NH2+]CCC1CC(O)C1)c1cccc(OCCN(C)C)c1 ZINC000432424061 405764760 /nfs/dbraw/zinc/76/47/60/405764760.db2.gz MQXAHUGPQZJHLQ-UQPPLGOBSA-N 1 3 306.450 2.439 20 0 DEADHO C[NH2+]CCc1ccccc1C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000423339536 405766825 /nfs/dbraw/zinc/76/68/25/405766825.db2.gz VHLRTVAOMOURGH-HOTGVXAUSA-N 1 3 317.477 2.299 20 0 DEADHO C[NH2+]CCc1ccccc1C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000423339538 405766884 /nfs/dbraw/zinc/76/68/84/405766884.db2.gz VHLRTVAOMOURGH-JKSUJKDBSA-N 1 3 317.477 2.299 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000433158519 405884573 /nfs/dbraw/zinc/88/45/73/405884573.db2.gz BCOGCAUEQLAQNU-IRXDYDNUSA-N 1 3 303.450 2.171 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)C1CCC1 ZINC000457541835 405889991 /nfs/dbraw/zinc/88/99/91/405889991.db2.gz UCKDEUBFCMKOKI-RDJZCZTQSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)C1CCC1 ZINC000457541835 405889997 /nfs/dbraw/zinc/88/99/97/405889997.db2.gz UCKDEUBFCMKOKI-RDJZCZTQSA-N 1 3 309.498 2.297 20 0 DEADHO CCc1cc(N2CCC(C)(CN3CCN(C)CC3)CC2)cc[nH+]1 ZINC000450437262 405896687 /nfs/dbraw/zinc/89/66/87/405896687.db2.gz IKQXQESPKAUWBX-UHFFFAOYSA-N 1 3 316.493 2.498 20 0 DEADHO CCO[C@@H]1C[C@@H](NCC2(C[NH+](C)C)CCCC2)[C@]12CCCO2 ZINC000639047980 405845360 /nfs/dbraw/zinc/84/53/60/405845360.db2.gz WRIWGGXLNIFCKF-JFIYKMOQSA-N 1 3 310.482 2.425 20 0 DEADHO Cn1cc([C@H](N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc2)cn1 ZINC000423537559 405847810 /nfs/dbraw/zinc/84/78/10/405847810.db2.gz DCEBEWSLFWNVNF-PSBWJHGTSA-N 1 3 310.445 2.487 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000423752056 405947126 /nfs/dbraw/zinc/94/71/26/405947126.db2.gz ZMMHZQJRVITFJV-INIZCTEOSA-N 1 3 317.477 2.486 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000423762969 405953431 /nfs/dbraw/zinc/95/34/31/405953431.db2.gz QQALNMNLOCWTCJ-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000531400435 405954435 /nfs/dbraw/zinc/95/44/35/405954435.db2.gz BEYKPOSGMASDIX-JKSUJKDBSA-N 1 3 324.513 2.375 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)C1 ZINC000457712538 405965982 /nfs/dbraw/zinc/96/59/82/405965982.db2.gz QPSOSXIEUOEJGP-BBWFWOEESA-N 1 3 324.513 2.373 20 0 DEADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)C1 ZINC000457712538 405965984 /nfs/dbraw/zinc/96/59/84/405965984.db2.gz QPSOSXIEUOEJGP-BBWFWOEESA-N 1 3 324.513 2.373 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N2CCCC[C@H]2C)C1 ZINC000457712540 405966359 /nfs/dbraw/zinc/96/63/59/405966359.db2.gz QPSOSXIEUOEJGP-IKGGRYGDSA-N 1 3 324.513 2.373 20 0 DEADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N2CCCC[C@H]2C)C1 ZINC000457712540 405966367 /nfs/dbraw/zinc/96/63/67/405966367.db2.gz QPSOSXIEUOEJGP-IKGGRYGDSA-N 1 3 324.513 2.373 20 0 DEADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000531733712 405999528 /nfs/dbraw/zinc/99/95/28/405999528.db2.gz MFIZCGAZIHSOPL-MDZLAQPJSA-N 1 3 304.360 2.264 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCCNC(=O)C1 ZINC000639358739 406063080 /nfs/dbraw/zinc/06/30/80/406063080.db2.gz ATMIRNRLGLFWHF-NJAFHUGGSA-N 1 3 315.461 2.013 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)CC1 ZINC000479475196 406167119 /nfs/dbraw/zinc/16/71/19/406167119.db2.gz OKTHKJWANGZDST-HNNXBMFYSA-N 1 3 309.498 2.296 20 0 DEADHO COCCOCCN1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471834055 406122722 /nfs/dbraw/zinc/12/27/22/406122722.db2.gz LFLITOWHGSHKFZ-RTBURBONSA-N 1 3 320.477 2.322 20 0 DEADHO CC(C)(N)C[N@@H+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000568087617 406191638 /nfs/dbraw/zinc/19/16/38/406191638.db2.gz MNBVWFPRUCQKDG-OAHLLOKOSA-N 1 3 321.440 2.281 20 0 DEADHO CC(C)(N)C[N@H+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000568087617 406191640 /nfs/dbraw/zinc/19/16/40/406191640.db2.gz MNBVWFPRUCQKDG-OAHLLOKOSA-N 1 3 321.440 2.281 20 0 DEADHO CNC(=O)c1ccc(CN2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000639682052 406202439 /nfs/dbraw/zinc/20/24/39/406202439.db2.gz FTVKGYNCZIPQAI-UHFFFAOYSA-N 1 3 324.428 2.154 20 0 DEADHO [NH3+][C@H]1CCC[C@H](NC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)C1 ZINC000569258897 406230561 /nfs/dbraw/zinc/23/05/61/406230561.db2.gz MTZABORGQNYYJQ-FQUUOJAGSA-N 1 3 306.410 2.027 20 0 DEADHO CN(CC1CCCCC1)C(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639758274 406237701 /nfs/dbraw/zinc/23/77/01/406237701.db2.gz SGIRFJNAEPQFDD-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO C[C@@H](C(=O)NCc1ccccc1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639760011 406239943 /nfs/dbraw/zinc/23/99/43/406239943.db2.gz POQANEQLYDESFR-INIZCTEOSA-N 1 3 315.461 2.109 20 0 DEADHO CCOCC[C@H](O)C[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000634724855 406249029 /nfs/dbraw/zinc/24/90/29/406249029.db2.gz YVOALJIMTZYDNT-UHOSZYNNSA-N 1 3 320.477 2.132 20 0 DEADHO CCOCC[C@H](O)CNC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000634724855 406249033 /nfs/dbraw/zinc/24/90/33/406249033.db2.gz YVOALJIMTZYDNT-UHOSZYNNSA-N 1 3 320.477 2.132 20 0 DEADHO CCOCC[C@H](O)CNC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000634724855 406249040 /nfs/dbraw/zinc/24/90/40/406249040.db2.gz YVOALJIMTZYDNT-UHOSZYNNSA-N 1 3 320.477 2.132 20 0 DEADHO CC1(C)CNCC[C@@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)C1 ZINC000634732800 406252411 /nfs/dbraw/zinc/25/24/11/406252411.db2.gz PACPUWZAFYOFGD-MRXNPFEDSA-N 1 3 319.449 2.252 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C[C@H](C)O1 ZINC000569543885 406265770 /nfs/dbraw/zinc/26/57/70/406265770.db2.gz GUYRTYYXPRLIRA-MIFYACCESA-N 1 3 307.438 2.068 20 0 DEADHO C[C@H]1CN(CCCC[NH2+]C2CCN(CC3CC3)CC2)C[C@H](C)O1 ZINC000537058394 406282562 /nfs/dbraw/zinc/28/25/62/406282562.db2.gz ZVWTUYFTXRYEKJ-IRXDYDNUSA-N 1 3 323.525 2.340 20 0 DEADHO C[N@H+](C[C@@H](O)CNCCc1cc2ccccc2s1)C1CC1 ZINC000570391287 406386314 /nfs/dbraw/zinc/38/63/14/406386314.db2.gz UWJYFVGTNBPDBG-HNNXBMFYSA-N 1 3 304.459 2.489 20 0 DEADHO C[N@@H+](C[C@@H](O)CNCCc1cc2ccccc2s1)C1CC1 ZINC000570391287 406386320 /nfs/dbraw/zinc/38/63/20/406386320.db2.gz UWJYFVGTNBPDBG-HNNXBMFYSA-N 1 3 304.459 2.489 20 0 DEADHO COCC[C@@H]1CCC[C@H]1Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635010716 406398196 /nfs/dbraw/zinc/39/81/96/406398196.db2.gz VDNJRMWYAIEBIM-GOEBONIOSA-N 1 3 304.438 2.108 20 0 DEADHO C[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1cccc(CO)c1 ZINC000635008968 406398760 /nfs/dbraw/zinc/39/87/60/406398760.db2.gz LJGBAVFDJZUFIO-CQSZACIVSA-N 1 3 312.417 2.157 20 0 DEADHO CCO[C@@H]1C[C@@H](Nc2cc(N3CCNCC3)cc[nH+]2)C1(C)C ZINC000635010530 406398927 /nfs/dbraw/zinc/39/89/27/406398927.db2.gz SWHBQJNBQAJBFD-HUUCEWRRSA-N 1 3 304.438 2.107 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000524300467 406444983 /nfs/dbraw/zinc/44/49/83/406444983.db2.gz QNHYOEMISFOUDD-LSDHHAIUSA-N 1 3 321.490 2.028 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000524300467 406444989 /nfs/dbraw/zinc/44/49/89/406444989.db2.gz QNHYOEMISFOUDD-LSDHHAIUSA-N 1 3 321.490 2.028 20 0 DEADHO CN1CCN(CCCC[NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000570869379 406449469 /nfs/dbraw/zinc/44/94/69/406449469.db2.gz VLCFDXXRRJTNMD-GOSISDBHSA-N 1 3 317.477 2.387 20 0 DEADHO CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCN2C2CCCC2)CC1 ZINC000635191046 406454477 /nfs/dbraw/zinc/45/44/77/406454477.db2.gz FGZIEWMRLGNHRV-KRWDZBQOSA-N 1 3 307.482 2.335 20 0 DEADHO NC[C@@H]([NH2+]Cc1cnc(N2CCCC2)nc1)C1CCCCC1 ZINC000571531956 406533189 /nfs/dbraw/zinc/53/31/89/406533189.db2.gz CVCXDLLQSGWHGW-MRXNPFEDSA-N 1 3 303.454 2.074 20 0 DEADHO CCN[C@@H](C)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000638060942 406549692 /nfs/dbraw/zinc/54/96/92/406549692.db2.gz VJRHFEHWSZXXTB-AWEZNQCLSA-N 1 3 307.438 2.344 20 0 DEADHO CCN[C@H](C)C(=O)Nc1ccccc1OCC[NH+](CC)CC ZINC000638059948 406550355 /nfs/dbraw/zinc/55/03/55/406550355.db2.gz IXQGSBINGGHVGF-CQSZACIVSA-N 1 3 307.438 2.344 20 0 DEADHO N[C@@H]1CCC[C@H]([NH2+]CCCC(=O)N2Cc3ccccc3C2)C1 ZINC000571297479 406503302 /nfs/dbraw/zinc/50/33/02/406503302.db2.gz NGVSOTWYDSNRSF-SJORKVTESA-N 1 3 301.434 2.169 20 0 DEADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(Cl)cn1 ZINC000548483310 406521127 /nfs/dbraw/zinc/52/11/27/406521127.db2.gz ZGKPZAFTXLDIRJ-CQSZACIVSA-N 1 3 310.873 2.413 20 0 DEADHO CCN1CCN(c2ccccc2CNC[C@@H](C)C[NH+](C)C)CC1 ZINC000491560248 406622556 /nfs/dbraw/zinc/62/25/56/406622556.db2.gz OKPJDAQHBASBRG-QGZVFWFLSA-N 1 3 318.509 2.116 20 0 DEADHO CCN1CCN(c2ccccc2CNC[C@H](C)C[NH+](C)C)CC1 ZINC000491560247 406622756 /nfs/dbraw/zinc/62/27/56/406622756.db2.gz OKPJDAQHBASBRG-KRWDZBQOSA-N 1 3 318.509 2.116 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N1C[C@@H]([NH3+])C[C@H]1C)c1ccccc1 ZINC000635528748 406576674 /nfs/dbraw/zinc/57/66/74/406576674.db2.gz WGZXKILARPFXHM-HYVNUMGLSA-N 1 3 318.465 2.201 20 0 DEADHO C[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)[C@@H]1CC12CC2 ZINC000527857101 406773225 /nfs/dbraw/zinc/77/32/25/406773225.db2.gz ZSGDXWWUMQUJLK-WMZOPIPTSA-N 1 3 314.477 2.372 20 0 DEADHO Cc1ccc([C@H](CNC(=O)CN2CCC(C)(C)C2)[NH+](C)C)cc1 ZINC000553392116 406755982 /nfs/dbraw/zinc/75/59/82/406755982.db2.gz PWXHCHOUZSYVRN-KRWDZBQOSA-N 1 3 317.477 2.446 20 0 DEADHO Cc1cccc(CN(CCN(C)C)C(=O)/C=C/C[NH+](C)C)c1 ZINC000491901920 406769829 /nfs/dbraw/zinc/76/98/29/406769829.db2.gz ARRGLWHSXIDTFS-JXMROGBWSA-N 1 3 303.450 2.003 20 0 DEADHO CN(C)CCN1CCC([NH2+]CC(C)(C)Oc2ccccc2)CC1 ZINC000638356133 406721897 /nfs/dbraw/zinc/72/18/97/406721897.db2.gz MZVRXRVJMVHNLS-UHFFFAOYSA-N 1 3 319.493 2.460 20 0 DEADHO C[NH+](C)CCc1ccc(C(=O)NC2CCN(C3CC3)CC2)cc1 ZINC000552906328 406726122 /nfs/dbraw/zinc/72/61/22/406726122.db2.gz YINKHEZHBZGFSU-UHFFFAOYSA-N 1 3 315.461 2.147 20 0 DEADHO CC[C@H]1CC[C@H]1[NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000554368683 406795342 /nfs/dbraw/zinc/79/53/42/406795342.db2.gz FEAIVLYIVJQAQI-KSZLIROESA-N 1 3 317.477 2.054 20 0 DEADHO C[C@H]([NH3+])CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000641414118 406799079 /nfs/dbraw/zinc/79/90/79/406799079.db2.gz VOFBNONRIQOCLA-ZMSDIMECSA-N 1 3 318.465 2.028 20 0 DEADHO Cc1ccc(NC(=O)CC[NH2+]C2CC(N3CCCCC3)C2)nc1 ZINC000577502844 406838916 /nfs/dbraw/zinc/83/89/16/406838916.db2.gz HBCPRZBSTVZLED-UHFFFAOYSA-N 1 3 316.449 2.325 20 0 DEADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000646253936 406826762 /nfs/dbraw/zinc/82/67/62/406826762.db2.gz AUWBTBGLLNKDTC-BBRMVZONSA-N 1 3 323.868 2.228 20 0 DEADHO CN1CCC(NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000646601158 406884523 /nfs/dbraw/zinc/88/45/23/406884523.db2.gz XZRZEXLGPNJROU-GOSISDBHSA-N 1 3 315.461 2.076 20 0 DEADHO C[C@@H]1CCC[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)CC1 ZINC000641762502 406887095 /nfs/dbraw/zinc/88/70/95/406887095.db2.gz LCXXLSTWBPCHAU-QZTJIDSGSA-N 1 3 323.525 2.341 20 0 DEADHO C[C@H](C(=O)N(C)CCC[NH3+])N1CCC(Cc2ccccc2)CC1 ZINC000646783200 406907415 /nfs/dbraw/zinc/90/74/15/406907415.db2.gz UHNJSOWBKRVNOQ-MRXNPFEDSA-N 1 3 317.477 2.137 20 0 DEADHO Cc1cc(CN)cc(NC(=O)c2cccn2C2CC[NH2+]CC2)c1 ZINC000647096248 406950824 /nfs/dbraw/zinc/95/08/24/406950824.db2.gz LBSNZEZDUQINIP-UHFFFAOYSA-N 1 3 312.417 2.432 20 0 DEADHO NC[C@H]1C[N@H+](C[C@@H]2CCOc3ccccc32)CC12CCOCC2 ZINC000647545438 407017736 /nfs/dbraw/zinc/01/77/36/407017736.db2.gz HPGDNOIOWDKNQD-HOTGVXAUSA-N 1 3 316.445 2.240 20 0 DEADHO NC[C@H]1C[N@@H+](C[C@@H]2CCOc3ccccc32)CC12CCOCC2 ZINC000647545438 407017740 /nfs/dbraw/zinc/01/77/40/407017740.db2.gz HPGDNOIOWDKNQD-HOTGVXAUSA-N 1 3 316.445 2.240 20 0 DEADHO NCC(=O)N1CCC[C@H](C[NH2+]C2(c3ccccc3Cl)CC2)C1 ZINC000647552728 407019697 /nfs/dbraw/zinc/01/96/97/407019697.db2.gz SSBDMUHASUIKDC-CYBMUJFWSA-N 1 3 321.852 2.116 20 0 DEADHO CCCN1CCN(c2ccccc2CN[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000647552196 407019781 /nfs/dbraw/zinc/01/97/81/407019781.db2.gz MCZVFLRKGCSJAF-IRXDYDNUSA-N 1 3 318.509 2.434 20 0 DEADHO C[C@@H]1CCNC[C@@H]1[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000643457664 407002496 /nfs/dbraw/zinc/00/24/96/407002496.db2.gz VHHDUBPEPANUOT-QRQLOZEOSA-N 1 3 301.478 2.486 20 0 DEADHO c1cc2n(n1)C[C@H](CNC[C@H]1CCC[N@@H+]1C1CCCCC1)CN2 ZINC000648030719 407104942 /nfs/dbraw/zinc/10/49/42/407104942.db2.gz OESQJVFYJVHBTK-NVXWUHKLSA-N 1 3 317.481 2.312 20 0 DEADHO c1cc2n(n1)C[C@H](CNC[C@H]1CCC[N@H+]1C1CCCCC1)CN2 ZINC000648030719 407104944 /nfs/dbraw/zinc/10/49/44/407104944.db2.gz OESQJVFYJVHBTK-NVXWUHKLSA-N 1 3 317.481 2.312 20 0 DEADHO CN(CCC[NH3+])CCC(=O)Nc1ccc(Br)cc1 ZINC000647848075 407060563 /nfs/dbraw/zinc/06/05/63/407060563.db2.gz CGJBJSORQPKSEH-UHFFFAOYSA-N 1 3 314.227 2.058 20 0 DEADHO COCCCN(CCc1ccc(OC)cc1)C[C@H]1CC[NH2+]C1 ZINC000647885972 407067970 /nfs/dbraw/zinc/06/79/70/407067970.db2.gz WYGOZEBRUPEQBC-KRWDZBQOSA-N 1 3 306.450 2.186 20 0 DEADHO CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1CCCC1CC[NH2+]CC1 ZINC000647889452 407068647 /nfs/dbraw/zinc/06/86/47/407068647.db2.gz SDLRZBIRESKEDL-QZTJIDSGSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H]1CN(CCC(=O)Nc2cccc(OC)c2)CC[C@@H]1[NH3+] ZINC000647936488 407079153 /nfs/dbraw/zinc/07/91/53/407079153.db2.gz GGGPDMCEZSIZFF-BBRMVZONSA-N 1 3 305.422 2.083 20 0 DEADHO Cc1ccc(CCNC[C@H](O)C[N@@H+](C)Cc2ccccc2)o1 ZINC000644520568 407135147 /nfs/dbraw/zinc/13/51/47/407135147.db2.gz FDUBFDLJPBAXRF-KRWDZBQOSA-N 1 3 302.418 2.213 20 0 DEADHO Cc1ccc(CCNC[C@H](O)C[N@H+](C)Cc2ccccc2)o1 ZINC000644520568 407135150 /nfs/dbraw/zinc/13/51/50/407135150.db2.gz FDUBFDLJPBAXRF-KRWDZBQOSA-N 1 3 302.418 2.213 20 0 DEADHO C[C@H]([NH3+])c1ccc(C(=O)N2CCN(c3ccncc3)CC2)cc1 ZINC000645221517 407248812 /nfs/dbraw/zinc/24/88/12/407248812.db2.gz PLBMSLJZMDPKMR-AWEZNQCLSA-N 1 3 310.401 2.064 20 0 DEADHO CCCN(C(=O)NC[C@H](C)[NH+]1CCC(C)CC1)[C@@H]1CCN(C)C1 ZINC000645222850 407248918 /nfs/dbraw/zinc/24/89/18/407248918.db2.gz RUCWXJKQHYXMRK-DLBZAZTESA-N 1 3 324.513 2.233 20 0 DEADHO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N1CCN(c2ccncc2)CC1 ZINC000645222052 407248977 /nfs/dbraw/zinc/24/89/77/407248977.db2.gz UXHVXNZLLBCNDS-IRXDYDNUSA-N 1 3 316.449 2.028 20 0 DEADHO CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]2NCC2(C)C)cc1 ZINC000645379172 407271263 /nfs/dbraw/zinc/27/12/63/407271263.db2.gz CAGYIXSQEYUDTE-MRXNPFEDSA-N 1 3 319.449 2.344 20 0 DEADHO CCCN(C(=O)N[C@@H](C)C[N@H+](CC)CCC)[C@@H]1CCN(C)C1 ZINC000645513173 407287906 /nfs/dbraw/zinc/28/79/06/407287906.db2.gz RBLJOQPJTMZLEU-JKSUJKDBSA-N 1 3 312.502 2.233 20 0 DEADHO CCCN(C(=O)N[C@@H](C)C[N@@H+](CC)CCC)[C@@H]1CCN(C)C1 ZINC000645513173 407287908 /nfs/dbraw/zinc/28/79/08/407287908.db2.gz RBLJOQPJTMZLEU-JKSUJKDBSA-N 1 3 312.502 2.233 20 0 DEADHO O=C(Nc1cccc2c1CCNC2)c1ccc2c(c1)CC[NH2+]CC2 ZINC000571029731 292521227 /nfs/dbraw/zinc/52/12/27/292521227.db2.gz PJHDRZYZZVJMFL-UHFFFAOYSA-N 1 3 321.424 2.273 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000129025060 196013251 /nfs/dbraw/zinc/01/32/51/196013251.db2.gz OIRWTCPYXBCSJI-IRXDYDNUSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000132209412 196235650 /nfs/dbraw/zinc/23/56/50/196235650.db2.gz ZKLANLBNMRQAMU-SZMVWBNQSA-N 1 3 315.461 2.250 20 0 DEADHO COCCC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000132695220 196276644 /nfs/dbraw/zinc/27/66/44/196276644.db2.gz VZUVGXLPHSKRQL-UHFFFAOYSA-N 1 3 305.466 2.343 20 0 DEADHO C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420342866 287291297 /nfs/dbraw/zinc/29/12/97/287291297.db2.gz QCXNDUPYFNMVIN-VQHPVUNQSA-N 1 3 307.482 2.003 20 0 DEADHO c1cc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc2c1OCO2 ZINC000571752938 292569976 /nfs/dbraw/zinc/56/99/76/292569976.db2.gz AMEDNYRXMILBLH-OAGGEKHMSA-N 1 3 302.418 2.468 20 0 DEADHO CN(CC1([NH+](C)C)CCC1)C(=O)NCC(C)(C)N1CCCCC1 ZINC000189628243 225058133 /nfs/dbraw/zinc/05/81/33/225058133.db2.gz DWVXEBIZXPYMBY-UHFFFAOYSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H]([NH3+])CCC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000193319376 225157570 /nfs/dbraw/zinc/15/75/70/225157570.db2.gz JULAIEXJOKGMFQ-XEZPLFJOSA-N 1 3 309.479 2.375 20 0 DEADHO OC[C@@]1(c2ccccc2)CC[N@H+](CCCN2CCCCC2)C1 ZINC000291271934 222274186 /nfs/dbraw/zinc/27/41/86/222274186.db2.gz PQZRHVTWBOZSOS-LJQANCHMSA-N 1 3 302.462 2.498 20 0 DEADHO OC[C@@]1(c2ccccc2)CC[N@@H+](CCCN2CCCCC2)C1 ZINC000291271934 222274188 /nfs/dbraw/zinc/27/41/88/222274188.db2.gz PQZRHVTWBOZSOS-LJQANCHMSA-N 1 3 302.462 2.498 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415939789 228750971 /nfs/dbraw/zinc/75/09/71/228750971.db2.gz RHXPGSPHSAGKGS-CQSZACIVSA-N 1 3 320.437 2.020 20 0 DEADHO C[C@H]1[C@@H](NC(=O)N(CCC[NH3+])CC2CCCC2)CCCN1C ZINC000417994999 229179623 /nfs/dbraw/zinc/17/96/23/229179623.db2.gz CSYIJABLKKTZCK-HOCLYGCPSA-N 1 3 310.486 2.020 20 0 DEADHO CN(C)[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000422128525 230077092 /nfs/dbraw/zinc/07/70/92/230077092.db2.gz FNSMEHQRTVMKOI-IRXDYDNUSA-N 1 3 318.465 2.025 20 0 DEADHO CN(C)[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000422128525 230077094 /nfs/dbraw/zinc/07/70/94/230077094.db2.gz FNSMEHQRTVMKOI-IRXDYDNUSA-N 1 3 318.465 2.025 20 0 DEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCS(=O)(=O)Cc1ccccc1 ZINC000422709834 230171630 /nfs/dbraw/zinc/17/16/30/230171630.db2.gz KZHNDRPSUCVGRK-DLBZAZTESA-N 1 3 324.490 2.099 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCCS(=O)(=O)Cc1ccccc1 ZINC000422709834 230171633 /nfs/dbraw/zinc/17/16/33/230171633.db2.gz KZHNDRPSUCVGRK-DLBZAZTESA-N 1 3 324.490 2.099 20 0 DEADHO Cc1cccc(N2CCC([NH2+][C@H]3CCNCC[C@@H]3C)CC2)n1 ZINC000422754003 230190677 /nfs/dbraw/zinc/19/06/77/230190677.db2.gz FQIHZZNXCNOGBS-YOEHRIQHSA-N 1 3 302.466 2.337 20 0 DEADHO CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2CCCC[C@@H]2CN)c1 ZINC000422792086 230212026 /nfs/dbraw/zinc/21/20/26/230212026.db2.gz ZCPTWXNFLLRVHN-IAGOWNOFSA-N 1 3 303.450 2.038 20 0 DEADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@H](CO)Cc1c(F)cccc1Cl ZINC000422798170 230212641 /nfs/dbraw/zinc/21/26/41/230212641.db2.gz QALXBGHKEVFFON-BFQNTYOBSA-N 1 3 314.832 2.347 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@H](CO)Cc1c(F)cccc1Cl ZINC000422798170 230212645 /nfs/dbraw/zinc/21/26/45/230212645.db2.gz QALXBGHKEVFFON-BFQNTYOBSA-N 1 3 314.832 2.347 20 0 DEADHO NC[C@H]1CCC[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000422860824 230247761 /nfs/dbraw/zinc/24/77/61/230247761.db2.gz LWEWFWGWBJSHPL-DYVFJYSZSA-N 1 3 319.424 2.147 20 0 DEADHO Cc1ccc(C(=O)N2CCC([NH2+][C@@H](C)C[C@H](C)N)CC2)cc1 ZINC000422900286 230266376 /nfs/dbraw/zinc/26/63/76/230266376.db2.gz AJSCVDXONGQWEQ-GJZGRUSLSA-N 1 3 303.450 2.315 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1cccc(OCC(F)F)c1 ZINC000422947209 230288516 /nfs/dbraw/zinc/28/85/16/230288516.db2.gz QCJSOTUQGFOMLP-GLQYFDAESA-N 1 3 314.376 2.172 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)[C@@H](O)Cc1ccccc1 ZINC000422992503 230307613 /nfs/dbraw/zinc/30/76/13/230307613.db2.gz CSRWVFMAPFZAPU-OHNRDTAOSA-N 1 3 313.445 2.491 20 0 DEADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000423047535 230329176 /nfs/dbraw/zinc/32/91/76/230329176.db2.gz GNPMAUYBKIKZHB-QWHCGFSZSA-N 1 3 317.355 2.282 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@H]1NCCc1ccc(OCC(F)(F)F)nc1 ZINC000423047535 230329179 /nfs/dbraw/zinc/32/91/79/230329179.db2.gz GNPMAUYBKIKZHB-QWHCGFSZSA-N 1 3 317.355 2.282 20 0 DEADHO O[C@@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000423114353 230354923 /nfs/dbraw/zinc/35/49/23/230354923.db2.gz VHKUSNIDIPLOCL-FCGDIQPGSA-N 1 3 302.462 2.490 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC000648873693 424920797 /nfs/dbraw/zinc/92/07/97/424920797.db2.gz DLJLYRVTPDQQSR-AHCXZYCDSA-N 1 3 317.477 2.443 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC000648873693 424920798 /nfs/dbraw/zinc/92/07/98/424920798.db2.gz DLJLYRVTPDQQSR-AHCXZYCDSA-N 1 3 317.477 2.443 20 0 DEADHO CN(C)CCOc1cccc(N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000400941476 424923049 /nfs/dbraw/zinc/92/30/49/424923049.db2.gz CXYYXQXAPPNGBE-YQQAZPJKSA-N 1 3 303.450 2.427 20 0 DEADHO COC[C@@]1(C)CC[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000648643323 424890707 /nfs/dbraw/zinc/89/07/07/424890707.db2.gz APSSSRJCLOHVJD-SFHVURJKSA-N 1 3 306.450 2.485 20 0 DEADHO COC[C@@]1(C)CC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000648643323 424890710 /nfs/dbraw/zinc/89/07/10/424890710.db2.gz APSSSRJCLOHVJD-SFHVURJKSA-N 1 3 306.450 2.485 20 0 DEADHO CCc1noc(-c2ccc(CCNC[C@@H]3CCC[NH2+]C3)cc2)n1 ZINC000415087754 424950004 /nfs/dbraw/zinc/95/00/04/424950004.db2.gz WPZIRUAIKWCMFN-OAHLLOKOSA-N 1 3 314.433 2.431 20 0 DEADHO CCc1noc(-c2ccc(CC[NH2+]C[C@@H]3CCCNC3)cc2)n1 ZINC000415087754 424950007 /nfs/dbraw/zinc/95/00/07/424950007.db2.gz WPZIRUAIKWCMFN-OAHLLOKOSA-N 1 3 314.433 2.431 20 0 DEADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000422748555 424987502 /nfs/dbraw/zinc/98/75/02/424987502.db2.gz VAVKDTJMMHDWII-DNBIXMRYSA-N 1 3 300.402 2.152 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CNCc3ccccc32)[C@H](C)C1 ZINC000649340706 424996354 /nfs/dbraw/zinc/99/63/54/424996354.db2.gz KSVXQSOXSXDLAV-JLSDUUJJSA-N 1 3 315.461 2.062 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CNCc3ccccc32)[C@H](C)C1 ZINC000649340706 424996360 /nfs/dbraw/zinc/99/63/60/424996360.db2.gz KSVXQSOXSXDLAV-JLSDUUJJSA-N 1 3 315.461 2.062 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000649363544 425000875 /nfs/dbraw/zinc/00/08/75/425000875.db2.gz FMQFKIKNQVFORG-YVSFHVDLSA-N 1 3 307.482 2.097 20 0 DEADHO COc1cc(C)nc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650723733 425042516 /nfs/dbraw/zinc/04/25/16/425042516.db2.gz SNLPHHFPNAVUDV-BMGDILEWSA-N 1 3 319.449 2.259 20 0 DEADHO Cn1c(=O)ccc2c1CCC[C@H]2N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000650724741 425042537 /nfs/dbraw/zinc/04/25/37/425042537.db2.gz LNWSYSNVOUQKSY-XLNGHYISSA-N 1 3 315.461 2.273 20 0 DEADHO CCCN(C(=O)NCCC[N@H+](C)CC(C)C)[C@@H]1CCN(C)C1 ZINC000651196826 425114612 /nfs/dbraw/zinc/11/46/12/425114612.db2.gz OHUMTWVJOUTAPB-MRXNPFEDSA-N 1 3 312.502 2.090 20 0 DEADHO CCCN(C(=O)NCCC[N@@H+](C)CC(C)C)[C@@H]1CCN(C)C1 ZINC000651196826 425114615 /nfs/dbraw/zinc/11/46/15/425114615.db2.gz OHUMTWVJOUTAPB-MRXNPFEDSA-N 1 3 312.502 2.090 20 0 DEADHO CCCN1CCN(c2ccccc2C[N@H+](C)[C@@H](C)CCO)CC1 ZINC000652048545 425170671 /nfs/dbraw/zinc/17/06/71/425170671.db2.gz OXUSWLPVBZFZJC-KRWDZBQOSA-N 1 3 319.493 2.421 20 0 DEADHO CCCN1CCN(c2ccccc2C[N@@H+](C)[C@@H](C)CCO)CC1 ZINC000652048545 425170676 /nfs/dbraw/zinc/17/06/76/425170676.db2.gz OXUSWLPVBZFZJC-KRWDZBQOSA-N 1 3 319.493 2.421 20 0 DEADHO CCN(C(=O)N[C@H](C)C[NH+]1CCC(C)CC1)[C@H]1CCN(CC)C1 ZINC000666751958 425173277 /nfs/dbraw/zinc/17/32/77/425173277.db2.gz APMSOCCBRHDFPC-SJORKVTESA-N 1 3 324.513 2.233 20 0 DEADHO Cc1cccc2c1CCC[C@@H]2[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000663502499 425174478 /nfs/dbraw/zinc/17/44/78/425174478.db2.gz HZFLARWBLJMUMD-QAPCUYQASA-N 1 3 315.461 2.159 20 0 DEADHO Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000660657707 425194743 /nfs/dbraw/zinc/19/47/43/425194743.db2.gz ZRMIBNQWYYPHRS-PKOBYXMFSA-N 1 3 318.461 2.152 20 0 DEADHO Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000660657707 425194747 /nfs/dbraw/zinc/19/47/47/425194747.db2.gz ZRMIBNQWYYPHRS-PKOBYXMFSA-N 1 3 318.461 2.152 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000660666562 425199831 /nfs/dbraw/zinc/19/98/31/425199831.db2.gz RRFNPNITCCKGSZ-SJORKVTESA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCN(CCN(C)C)Cc2ccccn2)C1 ZINC000660680979 425204868 /nfs/dbraw/zinc/20/48/68/425204868.db2.gz YQLYBUSSAPXXJG-HDICACEKSA-N 1 3 318.509 2.423 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCN(CCN(C)C)Cc2ccccn2)C1 ZINC000660680979 425204871 /nfs/dbraw/zinc/20/48/71/425204871.db2.gz YQLYBUSSAPXXJG-HDICACEKSA-N 1 3 318.509 2.423 20 0 DEADHO CCN(C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)[C@@H]1CCN(C)C1 ZINC000663655091 425205370 /nfs/dbraw/zinc/20/53/70/425205370.db2.gz LITWXKLMUSIJOG-DLBZAZTESA-N 1 3 324.513 2.234 20 0 DEADHO CCN(C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)[C@@H]1CCN(C)C1 ZINC000663655091 425205374 /nfs/dbraw/zinc/20/53/74/425205374.db2.gz LITWXKLMUSIJOG-DLBZAZTESA-N 1 3 324.513 2.234 20 0 DEADHO c1nnn(-c2ccccc2)c1CNCC1CC[NH+](C2CC2)CC1 ZINC000651787426 425147414 /nfs/dbraw/zinc/14/74/14/425147414.db2.gz ROSHUAWYGDPHPG-UHFFFAOYSA-N 1 3 311.433 2.231 20 0 DEADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC[C@@]2(O)CCOC2)CC1 ZINC000651944352 425153084 /nfs/dbraw/zinc/15/30/84/425153084.db2.gz SXSDOGMSUPGCGR-KBAYOESNSA-N 1 3 310.482 2.161 20 0 DEADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CC[C@@]2(O)CCOC2)CC1 ZINC000651944352 425153085 /nfs/dbraw/zinc/15/30/85/425153085.db2.gz SXSDOGMSUPGCGR-KBAYOESNSA-N 1 3 310.482 2.161 20 0 DEADHO C[C@H](NC(=O)NC[C@@H]1CCN1C(C)(C)C)C(C)(C)C[NH+](C)C ZINC000660871495 425263533 /nfs/dbraw/zinc/26/35/33/425263533.db2.gz QEZKSTZXHDRETJ-KBPBESRZSA-N 1 3 312.502 2.135 20 0 DEADHO CCN(C(=O)NCCC1CC[NH+](CC)CC1)[C@@H]1CCN(CC)C1 ZINC000664225091 425336213 /nfs/dbraw/zinc/33/62/13/425336213.db2.gz XDFGLVYHJBHFSL-QGZVFWFLSA-N 1 3 324.513 2.234 20 0 DEADHO COCc1csc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000657458167 425338332 /nfs/dbraw/zinc/33/83/32/425338332.db2.gz JXRABUROQDJFRJ-UHFFFAOYSA-N 1 3 311.495 2.010 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)c1cccc(CN(C)C)c1 ZINC000652522340 425288988 /nfs/dbraw/zinc/28/89/88/425288988.db2.gz DPFIQRFICXXRHJ-UHFFFAOYSA-N 1 3 305.466 2.456 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)c1cccc(CN(C)C)c1 ZINC000652522340 425288992 /nfs/dbraw/zinc/28/89/92/425288992.db2.gz DPFIQRFICXXRHJ-UHFFFAOYSA-N 1 3 305.466 2.456 20 0 DEADHO C[C@@H](CNCc1ccnn1-c1ccncc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000657310905 425299483 /nfs/dbraw/zinc/29/94/83/425299483.db2.gz RNQRYKCXCCFKJS-CVEARBPZSA-N 1 3 313.449 2.477 20 0 DEADHO C[C@@H](CNCc1ccnn1-c1ccncc1)[N@H+]1CCC[C@@H](C)C1 ZINC000657310905 425299486 /nfs/dbraw/zinc/29/94/86/425299486.db2.gz RNQRYKCXCCFKJS-CVEARBPZSA-N 1 3 313.449 2.477 20 0 DEADHO C[C@@H](C[NH2+]Cc1ccnn1-c1ccncc1)N1CCC[C@@H](C)C1 ZINC000657310905 425299489 /nfs/dbraw/zinc/29/94/89/425299489.db2.gz RNQRYKCXCCFKJS-CVEARBPZSA-N 1 3 313.449 2.477 20 0 DEADHO CCN1CC[C@H](C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000657315054 425302356 /nfs/dbraw/zinc/30/23/56/425302356.db2.gz HAKTZVAGVTYTMP-AEFFLSMTSA-N 1 3 304.434 2.286 20 0 DEADHO CC[C@@H]1C[C@H]([NH2+]CCc2ccc(OCCN(C)C)cc2)CO1 ZINC000657351689 425314598 /nfs/dbraw/zinc/31/45/98/425314598.db2.gz SIJSCDLJUCNOMS-DLBZAZTESA-N 1 3 306.450 2.327 20 0 DEADHO CC(C)(C)N1CC[C@H]1CNC(=O)NCCCCC[NH+]1CCCC1 ZINC000661242101 425359524 /nfs/dbraw/zinc/35/95/24/425359524.db2.gz KQLHXYMYIKRZIH-INIZCTEOSA-N 1 3 324.513 2.425 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@H]2CCC[NH2+]CC2)cc1 ZINC000653049190 425389060 /nfs/dbraw/zinc/38/90/60/425389060.db2.gz YUQCHMHGMVAIDE-DLBZAZTESA-N 1 3 303.450 2.316 20 0 DEADHO C[N@@H+]1CCC[C@H](CCNC(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000654591262 425392977 /nfs/dbraw/zinc/39/29/77/425392977.db2.gz YPCWWNNEXZMHDD-BRWVUGGUSA-N 1 3 322.497 2.034 20 0 DEADHO C[N@H+]1CCC[C@H](CCNC(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000654591262 425392980 /nfs/dbraw/zinc/39/29/80/425392980.db2.gz YPCWWNNEXZMHDD-BRWVUGGUSA-N 1 3 322.497 2.034 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653111517 425407067 /nfs/dbraw/zinc/40/70/67/425407067.db2.gz QPYLKVYHTWBUBP-AWEZNQCLSA-N 1 3 305.422 2.085 20 0 DEADHO C[C@H](CCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)[NH+](C)C ZINC000664541688 425407301 /nfs/dbraw/zinc/40/73/01/425407301.db2.gz RPAGFXJSPRUGPF-HYVNUMGLSA-N 1 3 318.465 2.071 20 0 DEADHO Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]CC2)c(OCCN(C)C)c1 ZINC000653120020 425410288 /nfs/dbraw/zinc/41/02/88/425410288.db2.gz CPNQGMQJDUECNC-OAHLLOKOSA-N 1 3 319.449 2.264 20 0 DEADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cc2cnccc2o1 ZINC000657573077 425368049 /nfs/dbraw/zinc/36/80/49/425368049.db2.gz JIECAXZVUFURFW-AWEZNQCLSA-N 1 3 304.438 2.189 20 0 DEADHO CC[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CO1 ZINC000657613247 425375483 /nfs/dbraw/zinc/37/54/83/425375483.db2.gz JQIRRXKSMPZHOJ-QZTJIDSGSA-N 1 3 303.450 2.451 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653151821 425419675 /nfs/dbraw/zinc/41/96/75/425419675.db2.gz UTTJBULRJXUZAG-BPQIPLTHSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653151824 425419956 /nfs/dbraw/zinc/41/99/56/425419956.db2.gz UTTJBULRJXUZAG-NXHRZFHOSA-N 1 3 315.461 2.013 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)N1CCCCC1 ZINC000653194558 425429959 /nfs/dbraw/zinc/42/99/59/425429959.db2.gz NFCFCCIYLDMMEP-JZXOWHBKSA-N 1 3 307.482 2.084 20 0 DEADHO CC1(C)OCC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166529 425450768 /nfs/dbraw/zinc/45/07/68/425450768.db2.gz VOVZKXAOBIGOTI-KRWDZBQOSA-N 1 3 303.450 2.451 20 0 DEADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176558151 267539810 /nfs/dbraw/zinc/53/98/10/267539810.db2.gz KTMDEEAVAZAGDA-CVEARBPZSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CNCC[C@@H]2c2cccc(F)c2)CCN1C ZINC000665254765 425530035 /nfs/dbraw/zinc/53/00/35/425530035.db2.gz YVGGFMOFEUNJGS-BVPBIZIASA-N 1 3 305.441 2.344 20 0 DEADHO CC(C)[C@H](N)CC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000665281058 425535850 /nfs/dbraw/zinc/53/58/50/425535850.db2.gz SZDFKBGJFLSUMN-JQHSSLGASA-N 1 3 304.482 2.255 20 0 DEADHO C[NH+](C)CCCC(C)(C)NC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000665356146 425552268 /nfs/dbraw/zinc/55/22/68/425552268.db2.gz IOQMBYYEXALWOL-CQSZACIVSA-N 1 3 312.502 2.279 20 0 DEADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000665360881 425552905 /nfs/dbraw/zinc/55/29/05/425552905.db2.gz FGJREUYQULNDFS-HOCLYGCPSA-N 1 3 324.513 2.231 20 0 DEADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000659315874 425575000 /nfs/dbraw/zinc/57/50/00/425575000.db2.gz WHVFMPXXMWGJQU-RYQLBKOJSA-N 1 3 313.445 2.164 20 0 DEADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000659315874 425575004 /nfs/dbraw/zinc/57/50/04/425575004.db2.gz WHVFMPXXMWGJQU-RYQLBKOJSA-N 1 3 313.445 2.164 20 0 DEADHO CC1(C)CCC[NH2+][C@H]1C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659363925 425586139 /nfs/dbraw/zinc/58/61/39/425586139.db2.gz CZJFYRXYCHWTBQ-HOTGVXAUSA-N 1 3 317.433 2.064 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCCN2CCCC(C)(C)C2)C1 ZINC000665554152 425596469 /nfs/dbraw/zinc/59/64/69/425596469.db2.gz GIDUPUSZYNCDNT-OAHLLOKOSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCCN2CCCC(C)(C)C2)C1 ZINC000665554152 425596476 /nfs/dbraw/zinc/59/64/76/425596476.db2.gz GIDUPUSZYNCDNT-OAHLLOKOSA-N 1 3 324.513 2.280 20 0 DEADHO CN1CCC2(CCCN2C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000665554792 425597075 /nfs/dbraw/zinc/59/70/75/425597075.db2.gz RUYXAZCAXZZSKE-OAHLLOKOSA-N 1 3 322.497 2.129 20 0 DEADHO CN1CCC2(CCCN2C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000665554792 425597080 /nfs/dbraw/zinc/59/70/80/425597080.db2.gz RUYXAZCAXZZSKE-OAHLLOKOSA-N 1 3 322.497 2.129 20 0 DEADHO CN(CC(C)(C)[NH3+])C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000659423075 425600159 /nfs/dbraw/zinc/60/01/59/425600159.db2.gz CTZAHEGYVTVSTD-UHFFFAOYSA-N 1 3 318.465 2.030 20 0 DEADHO CN(CC(C)(C)[NH3+])C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000659427886 425600541 /nfs/dbraw/zinc/60/05/41/425600541.db2.gz TUTMGQFXJZHNBT-ZDUSSCGKSA-N 1 3 324.494 2.264 20 0 DEADHO COc1ccccc1[C@H]1CC[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662257053 425604141 /nfs/dbraw/zinc/60/41/41/425604141.db2.gz PGIPDILIRXMHKI-LSDHHAIUSA-N 1 3 302.418 2.006 20 0 DEADHO COc1ccccc1[C@H]1CC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662257053 425604145 /nfs/dbraw/zinc/60/41/45/425604145.db2.gz PGIPDILIRXMHKI-LSDHHAIUSA-N 1 3 302.418 2.006 20 0 DEADHO C([C@H]1CCC2(CNC2)O1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000662261323 425607044 /nfs/dbraw/zinc/60/70/44/425607044.db2.gz HRKQONRHIRVFGJ-ZWKOTPCHSA-N 1 3 321.509 2.095 20 0 DEADHO CCCN(CC)C[C@H](C)[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000655769937 425648961 /nfs/dbraw/zinc/64/89/61/425648961.db2.gz SOEORWKFZRTRFQ-WMZOPIPTSA-N 1 3 311.514 2.340 20 0 DEADHO CN(C)[C@@H]1CCCN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)C1 ZINC000662438980 425651410 /nfs/dbraw/zinc/65/14/10/425651410.db2.gz GHROCEGGLAETMU-IAGOWNOFSA-N 1 3 315.461 2.231 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662483877 425662259 /nfs/dbraw/zinc/66/22/59/425662259.db2.gz YQZMXSQQJRUZQR-WMLDXEAASA-N 1 3 301.434 2.021 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662483877 425662262 /nfs/dbraw/zinc/66/22/62/425662262.db2.gz YQZMXSQQJRUZQR-WMLDXEAASA-N 1 3 301.434 2.021 20 0 DEADHO CC[NH+](CC)C[C@H]1CCN(C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662481352 425662864 /nfs/dbraw/zinc/66/28/64/425662864.db2.gz CDIMLKXAUVSACD-CRAIPNDOSA-N 1 3 315.461 2.411 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662481353 425663166 /nfs/dbraw/zinc/66/31/66/425663166.db2.gz CDIMLKXAUVSACD-MAUKXSAKSA-N 1 3 315.461 2.411 20 0 DEADHO CC[NH+](CC)CC1CCN([C@@H]2C[C@H]3CCCC[C@H]3NC2=O)CC1 ZINC000659843177 425666206 /nfs/dbraw/zinc/66/62/06/425666206.db2.gz MOGDRXXJTMIKSN-KZNAEPCWSA-N 1 3 321.509 2.488 20 0 DEADHO CN[C@@H](C)C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000662507168 425668261 /nfs/dbraw/zinc/66/82/61/425668261.db2.gz PRDQRZATBWLTOS-ZOBUZTSGSA-N 1 3 303.450 2.011 20 0 DEADHO CN[C@@H](C)C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000662507168 425668263 /nfs/dbraw/zinc/66/82/63/425668263.db2.gz PRDQRZATBWLTOS-ZOBUZTSGSA-N 1 3 303.450 2.011 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)c2cc3c(s2)CCNC3)CC1 ZINC000662525492 425674055 /nfs/dbraw/zinc/67/40/55/425674055.db2.gz SQHLKEJUVFGJPC-UHFFFAOYSA-N 1 3 321.490 2.244 20 0 DEADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc2c(s1)CCNC2 ZINC000662526944 425674458 /nfs/dbraw/zinc/67/44/58/425674458.db2.gz NPPUERUTGRSMTF-GFCCVEGCSA-N 1 3 321.490 2.196 20 0 DEADHO CO[C@H](CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[C@@H]1CCOC1 ZINC000659864934 425674531 /nfs/dbraw/zinc/67/45/31/425674531.db2.gz NNOLTRRMELWHQG-IPMKNSEASA-N 1 3 324.509 2.482 20 0 DEADHO CO[C@H](C[N@@H+]1CCC[C@@H](CN2CCC(C)CC2)C1)[C@@H]1CCOC1 ZINC000659864934 425674532 /nfs/dbraw/zinc/67/45/32/425674532.db2.gz NNOLTRRMELWHQG-IPMKNSEASA-N 1 3 324.509 2.482 20 0 DEADHO CO[C@H](C[N@H+]1CCC[C@@H](CN2CCC(C)CC2)C1)[C@@H]1CCOC1 ZINC000659864934 425674536 /nfs/dbraw/zinc/67/45/36/425674536.db2.gz NNOLTRRMELWHQG-IPMKNSEASA-N 1 3 324.509 2.482 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)C[C@@H]1NCc2ccccc21 ZINC000662532872 425675764 /nfs/dbraw/zinc/67/57/64/425675764.db2.gz VQMSNNWNLLOCMB-YOEHRIQHSA-N 1 3 303.450 2.458 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)C[C@@H]1NCc2ccccc21 ZINC000662532872 425675767 /nfs/dbraw/zinc/67/57/67/425675767.db2.gz VQMSNNWNLLOCMB-YOEHRIQHSA-N 1 3 303.450 2.458 20 0 DEADHO CCCCCNC(=O)[C@@H](C)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290783 425613603 /nfs/dbraw/zinc/61/36/03/425613603.db2.gz KKQYYOZBFBYRDA-WBVHZDCISA-N 1 3 309.498 2.393 20 0 DEADHO C[C@H](C(=O)N1CCCCCC1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290742 425613722 /nfs/dbraw/zinc/61/37/22/425613722.db2.gz JDLJNYLAULBDEQ-SJLPKXTDSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H](C(=O)N1CCCCCC1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290741 425614852 /nfs/dbraw/zinc/61/48/52/425614852.db2.gz JDLJNYLAULBDEQ-FUHWJXTLSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H](C(=O)NC1CCCC1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291945 425614878 /nfs/dbraw/zinc/61/48/78/425614878.db2.gz ZQCSWUNKDYSETE-GDBMZVCRSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)C[C@H](C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)N(C)C ZINC000655686366 425628681 /nfs/dbraw/zinc/62/86/81/425628681.db2.gz FBSRGPRUCPJEMD-QZTJIDSGSA-N 1 3 311.514 2.196 20 0 DEADHO CC[C@@H](C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)N1CCCC1 ZINC000655688047 425629540 /nfs/dbraw/zinc/62/95/40/425629540.db2.gz HPWFGACIQQBFJC-ROUUACIJSA-N 1 3 309.498 2.094 20 0 DEADHO C[C@H](C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)N1CCCC[C@H]1C ZINC000655689591 425629723 /nfs/dbraw/zinc/62/97/23/425629723.db2.gz HFDNZWDKNNXSBT-LMMKCTJWSA-N 1 3 323.525 2.482 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000665758693 425640199 /nfs/dbraw/zinc/64/01/99/425640199.db2.gz MKUKPSZIKVQFPN-ULQDDVLXSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000665758693 425640203 /nfs/dbraw/zinc/64/02/03/425640203.db2.gz MKUKPSZIKVQFPN-ULQDDVLXSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000665758694 425640396 /nfs/dbraw/zinc/64/03/96/425640396.db2.gz MKUKPSZIKVQFPN-YESZJQIVSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000665758694 425640399 /nfs/dbraw/zinc/64/03/99/425640399.db2.gz MKUKPSZIKVQFPN-YESZJQIVSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCCC[C@@H](C)C1 ZINC000665761392 425641028 /nfs/dbraw/zinc/64/10/28/425641028.db2.gz BNPWFVKYIJFGON-CVEARBPZSA-N 1 3 312.502 2.090 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCCC[C@@H](C)C1 ZINC000665761392 425641031 /nfs/dbraw/zinc/64/10/31/425641031.db2.gz BNPWFVKYIJFGON-CVEARBPZSA-N 1 3 312.502 2.090 20 0 DEADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc2c1CNC2 ZINC000662405271 425642690 /nfs/dbraw/zinc/64/26/90/425642690.db2.gz XEUWYRDIPQIPOZ-ZIAGYGMSSA-N 1 3 301.434 2.140 20 0 DEADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc2c1CNC2 ZINC000662405271 425642694 /nfs/dbraw/zinc/64/26/94/425642694.db2.gz XEUWYRDIPQIPOZ-ZIAGYGMSSA-N 1 3 301.434 2.140 20 0 DEADHO C[C@@H]1CC2(CN1C(=O)C[C@@H]1NCc3ccccc31)CC[NH2+]CC2 ZINC000662579901 425684475 /nfs/dbraw/zinc/68/44/75/425684475.db2.gz JRCCKUTUAVMROA-PBHICJAKSA-N 1 3 313.445 2.212 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCN(CC3CCOCC3)CC2)C1 ZINC000659937952 425693901 /nfs/dbraw/zinc/69/39/01/425693901.db2.gz GYLLTVQZTDZEGO-HDICACEKSA-N 1 3 323.525 2.009 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCN2CCN(CC3CCOCC3)CC2)C1 ZINC000659937952 425693902 /nfs/dbraw/zinc/69/39/02/425693902.db2.gz GYLLTVQZTDZEGO-HDICACEKSA-N 1 3 323.525 2.009 20 0 DEADHO C[NH+](C)CCc1ccc(NC(=O)C2(NC3CC3)CCC2)cc1 ZINC000662706045 425718408 /nfs/dbraw/zinc/71/84/08/425718408.db2.gz UBTFYMDJIMLHKM-UHFFFAOYSA-N 1 3 301.434 2.404 20 0 DEADHO CC(C)(N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662716360 425720017 /nfs/dbraw/zinc/72/00/17/425720017.db2.gz RVRIZZHTDDLLSA-MRXNPFEDSA-N 1 3 315.461 2.142 20 0 DEADHO CC(C)(N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000662716360 425720021 /nfs/dbraw/zinc/72/00/21/425720021.db2.gz RVRIZZHTDDLLSA-MRXNPFEDSA-N 1 3 315.461 2.142 20 0 DEADHO OC[C@H](CNC1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1 ZINC000666224787 425720118 /nfs/dbraw/zinc/72/01/18/425720118.db2.gz GRULQMSLLZZQLL-INIZCTEOSA-N 1 3 306.425 2.366 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)c2cccc3c2CCNC3)CC1 ZINC000662729725 425724062 /nfs/dbraw/zinc/72/40/62/425724062.db2.gz UZZZTRQJBSSVQF-UHFFFAOYSA-N 1 3 315.461 2.184 20 0 DEADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2[NH2+]CCC2(C)C)C1 ZINC000662747038 425729081 /nfs/dbraw/zinc/72/90/81/425729081.db2.gz QKHXUKBVHBEVDK-IAGOWNOFSA-N 1 3 315.461 2.107 20 0 DEADHO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)C1(NC2CC2)CCC1 ZINC000662776165 425733328 /nfs/dbraw/zinc/73/33/28/425733328.db2.gz HMCADZBHOCUGDQ-UHFFFAOYSA-N 1 3 303.381 2.085 20 0 DEADHO CO[C@H](C[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1)[C@H]1CCOC1 ZINC000660256971 425776388 /nfs/dbraw/zinc/77/63/88/425776388.db2.gz OZSCCSOSZOINOZ-MUQADHOPSA-N 1 3 310.482 2.281 20 0 DEADHO CO[C@H](CN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[C@H]1CCOC1 ZINC000660256971 425776390 /nfs/dbraw/zinc/77/63/90/425776390.db2.gz OZSCCSOSZOINOZ-MUQADHOPSA-N 1 3 310.482 2.281 20 0 DEADHO CO[C@H](CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CCOC1 ZINC000660256971 425776394 /nfs/dbraw/zinc/77/63/94/425776394.db2.gz OZSCCSOSZOINOZ-MUQADHOPSA-N 1 3 310.482 2.281 20 0 DEADHO C[C@@H](CNC(=O)NC[C@@H]1CCN1C(C)(C)C)[N@@H+]1CCCC[C@H]1C ZINC000660341916 425797918 /nfs/dbraw/zinc/79/79/18/425797918.db2.gz HFJJWIRGWHLPGH-PMPSAXMXSA-N 1 3 324.513 2.421 20 0 DEADHO C[C@@H](CNC(=O)NC[C@@H]1CCN1C(C)(C)C)[N@H+]1CCCC[C@H]1C ZINC000660341916 425797921 /nfs/dbraw/zinc/79/79/21/425797921.db2.gz HFJJWIRGWHLPGH-PMPSAXMXSA-N 1 3 324.513 2.421 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000660403229 425808208 /nfs/dbraw/zinc/80/82/08/425808208.db2.gz BBUAIDOCPCFAIE-DLBZAZTESA-N 1 3 324.513 2.282 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000660403229 425808211 /nfs/dbraw/zinc/80/82/11/425808211.db2.gz BBUAIDOCPCFAIE-DLBZAZTESA-N 1 3 324.513 2.282 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)N(CC)CC ZINC000662842211 425748042 /nfs/dbraw/zinc/74/80/42/425748042.db2.gz NSEQBLWLVUIFHB-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO O=C(N[C@@H]1CCN(C2CCCCC2)C1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000662874979 425753233 /nfs/dbraw/zinc/75/32/33/425753233.db2.gz MFRPKVKEOSAIIO-AHCXZYCDSA-N 1 3 319.493 2.430 20 0 DEADHO CC(C)[C@H](CNc1[nH+]ccc2[nH]ccc21)N1CCN(C)CC1 ZINC000663376309 425833390 /nfs/dbraw/zinc/83/33/90/425833390.db2.gz HJEOZDULQHAWLJ-INIZCTEOSA-N 1 3 301.438 2.247 20 0 DEADHO CN1CCC[C@@H](CNC(=O)/C=C/C[NH+](C)C)[C@H]1c1cccs1 ZINC000363335188 269051305 /nfs/dbraw/zinc/05/13/05/269051305.db2.gz MEKRASRDQYWQNB-ZWCJNJPNSA-N 1 3 321.490 2.365 20 0 DEADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](N[C@@H]3CCC[NH2+]C3)C[C@H]2C1 ZINC000401135955 269112016 /nfs/dbraw/zinc/11/20/16/269112016.db2.gz SRILWPCWAWEIDD-YHUYYLMFSA-N 1 3 323.481 2.364 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1CCCN1C1CC1 ZINC000494277821 269148679 /nfs/dbraw/zinc/14/86/79/269148679.db2.gz UXYMNXCYEMPZMR-DOTOQJQBSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCCN1C1CC1 ZINC000494277821 269148681 /nfs/dbraw/zinc/14/86/81/269148681.db2.gz UXYMNXCYEMPZMR-DOTOQJQBSA-N 1 3 307.482 2.384 20 0 DEADHO CN(CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)C(=O)OC(C)(C)C ZINC000496366717 269214865 /nfs/dbraw/zinc/21/48/65/269214865.db2.gz RLZBIOXDINEGBE-RRFJBIMHSA-N 1 3 311.470 2.316 20 0 DEADHO CN(CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)C(=O)OC(C)(C)C ZINC000496366717 269214866 /nfs/dbraw/zinc/21/48/66/269214866.db2.gz RLZBIOXDINEGBE-RRFJBIMHSA-N 1 3 311.470 2.316 20 0 DEADHO C[C@H](CN)C[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496539312 269227823 /nfs/dbraw/zinc/22/78/23/269227823.db2.gz KLDRBXHNNWREQG-CABCVRRESA-N 1 3 305.422 2.224 20 0 DEADHO CC(C)(C)OC(=O)N1CC2(CC([NH2+]CCCN3CCCC3)C2)C1 ZINC000496989836 269274454 /nfs/dbraw/zinc/27/44/54/269274454.db2.gz FSMWNWIGHDYTHV-UHFFFAOYSA-N 1 3 323.481 2.461 20 0 DEADHO CC(C)(C)OC(=O)N1CC2(CC(NCCC[NH+]3CCCC3)C2)C1 ZINC000496989836 269274456 /nfs/dbraw/zinc/27/44/56/269274456.db2.gz FSMWNWIGHDYTHV-UHFFFAOYSA-N 1 3 323.481 2.461 20 0 DEADHO C[C@H](CC(N)=O)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512630589 269321902 /nfs/dbraw/zinc/32/19/02/269321902.db2.gz NPDJARWXPUKMTG-VDHUWJSZSA-N 1 3 315.461 2.141 20 0 DEADHO C[C@H](CC(N)=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512630589 269321903 /nfs/dbraw/zinc/32/19/03/269321903.db2.gz NPDJARWXPUKMTG-VDHUWJSZSA-N 1 3 315.461 2.141 20 0 DEADHO C[C@H](CC(N)=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512630589 269321904 /nfs/dbraw/zinc/32/19/04/269321904.db2.gz NPDJARWXPUKMTG-VDHUWJSZSA-N 1 3 315.461 2.141 20 0 DEADHO Cc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)c(N2CCOCC2)c1 ZINC000520252737 269435176 /nfs/dbraw/zinc/43/51/76/269435176.db2.gz FCHCMACDMBYDIU-SJORKVTESA-N 1 3 303.450 2.191 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCCc3nc(C)sc32)CC1 ZINC000155700947 273664188 /nfs/dbraw/zinc/66/41/88/273664188.db2.gz MLIYKQVBNXOLOM-HIFRSBDPSA-N 1 3 322.522 2.445 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)N1CCC([C@H](C)[NH3+])CC1 ZINC000430931847 274465464 /nfs/dbraw/zinc/46/54/64/274465464.db2.gz FBLNOWAXAXYNQX-NBFUAULTSA-N 1 3 309.498 2.375 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000418350035 275748776 /nfs/dbraw/zinc/74/87/76/275748776.db2.gz KTGPUACMEHXUCX-JKIFEVAISA-N 1 3 318.465 2.189 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000349119266 276006773 /nfs/dbraw/zinc/00/67/73/276006773.db2.gz PBWQWXRERIAEOM-IXDOHACOSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000349119266 276006774 /nfs/dbraw/zinc/00/67/74/276006774.db2.gz PBWQWXRERIAEOM-IXDOHACOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)N(C)C ZINC000369087957 276012343 /nfs/dbraw/zinc/01/23/43/276012343.db2.gz OQROSLHIIXZFLG-QGZVFWFLSA-N 1 3 309.498 2.343 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCCc3nc(C)sc32)CC1 ZINC000155700826 276197063 /nfs/dbraw/zinc/19/70/63/276197063.db2.gz MLIYKQVBNXOLOM-ZFWWWQNUSA-N 1 3 322.522 2.445 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](N)c2ccccc2)C[C@@H]1C ZINC000418433155 276222740 /nfs/dbraw/zinc/22/27/40/276222740.db2.gz UBMFKQAGJMYHGF-XIRDDKMYSA-N 1 3 318.465 2.201 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](N)c2ccccc2)C[C@@H]1C ZINC000418433155 276222741 /nfs/dbraw/zinc/22/27/41/276222741.db2.gz UBMFKQAGJMYHGF-XIRDDKMYSA-N 1 3 318.465 2.201 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000358179322 276231887 /nfs/dbraw/zinc/23/18/87/276231887.db2.gz ZMYGIPLJZUHYMB-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000358179322 276231889 /nfs/dbraw/zinc/23/18/89/276231889.db2.gz ZMYGIPLJZUHYMB-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)NCC[N@H+](CC)C1CC1 ZINC000352690718 276253790 /nfs/dbraw/zinc/25/37/90/276253790.db2.gz GORMNXVLPYHTSC-UHFFFAOYSA-N 1 3 324.513 2.378 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000352690718 276253792 /nfs/dbraw/zinc/25/37/92/276253792.db2.gz GORMNXVLPYHTSC-UHFFFAOYSA-N 1 3 324.513 2.378 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](C)[C@@H](O)C2)CC1 ZINC000349411476 276388497 /nfs/dbraw/zinc/38/84/97/276388497.db2.gz XLWJTYHZKTZXBA-LPHOPBHVSA-N 1 3 317.477 2.031 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@H](C)[C@@H](O)C2)CC1 ZINC000349411476 276388499 /nfs/dbraw/zinc/38/84/99/276388499.db2.gz XLWJTYHZKTZXBA-LPHOPBHVSA-N 1 3 317.477 2.031 20 0 DEADHO CN1CCCC[C@@H]1CC[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000366231904 277043632 /nfs/dbraw/zinc/04/36/32/277043632.db2.gz CDQGSUIINCOJMI-MRXNPFEDSA-N 1 3 307.482 2.338 20 0 DEADHO C[NH2+]CCCC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000237144549 277266437 /nfs/dbraw/zinc/26/64/37/277266437.db2.gz WIIJYDGAYVCMCE-INIZCTEOSA-N 1 3 303.450 2.109 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000418243354 277438785 /nfs/dbraw/zinc/43/87/85/277438785.db2.gz WJVBAHJGWOVLBO-YESZJQIVSA-N 1 3 324.513 2.408 20 0 DEADHO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420344568 277547224 /nfs/dbraw/zinc/54/72/24/277547224.db2.gz UDLMHHIPXOZRQF-DFGXFYAUSA-N 1 3 321.509 2.343 20 0 DEADHO CC(=O)NCCc1ccc([C@@H](C)[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)cc1 ZINC000423506785 278118465 /nfs/dbraw/zinc/11/84/65/278118465.db2.gz IUQXVZWLLPKWDH-SPYBWZPUSA-N 1 3 317.477 2.343 20 0 DEADHO CC(=O)NCCc1ccc([C@@H](C)[N@H+]2C[C@@H](C)[C@](C)(CN)C2)cc1 ZINC000423506785 278118466 /nfs/dbraw/zinc/11/84/66/278118466.db2.gz IUQXVZWLLPKWDH-SPYBWZPUSA-N 1 3 317.477 2.343 20 0 DEADHO C[C@H](CC(N)=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000267287639 278165418 /nfs/dbraw/zinc/16/54/18/278165418.db2.gz WWPFIZIDGIPGKX-OAHLLOKOSA-N 1 3 303.450 2.416 20 0 DEADHO CC1(C)CCCN[C@@H]1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000423422547 278220775 /nfs/dbraw/zinc/22/07/75/278220775.db2.gz BIKBAJHAEFBTEG-HZPDHXFCSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)(CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)N1CCCCC1 ZINC000332020968 278616364 /nfs/dbraw/zinc/61/63/64/278616364.db2.gz ZWYCEIGGWOOBPW-ARFHVFGLSA-N 1 3 322.497 2.020 20 0 DEADHO CC(C)C[C@H](C)N(C)C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420323212 279099623 /nfs/dbraw/zinc/09/96/23/279099623.db2.gz FWNPWHJTPFHICJ-BBWFWOEESA-N 1 3 309.498 2.201 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CC(C)(C)CC(C)(C)C2)CC1 ZINC000342360483 279259227 /nfs/dbraw/zinc/25/92/27/279259227.db2.gz JUUABBJALLCWOX-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)CC(C)(C)C[NH3+] ZINC000417988182 279282108 /nfs/dbraw/zinc/28/21/08/279282108.db2.gz RWCIHPIAIKYKCN-OAHLLOKOSA-N 1 3 320.481 2.133 20 0 DEADHO CC[C@@H](C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)N(C)C ZINC000129021795 280075351 /nfs/dbraw/zinc/07/53/51/280075351.db2.gz FJBDFCNYVSGVHQ-JCYILVPMSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@@H](CS(=O)(=O)c1ccccc1)N[C@@H](C)CCCC[NH3+] ZINC000423006954 280155124 /nfs/dbraw/zinc/15/51/24/280155124.db2.gz WWBUBTMRWKXDMI-GJZGRUSLSA-N 1 3 312.479 2.346 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CCC[C@@H]2[NH3+])C[C@@H](C)O1 ZINC000422951081 288219147 /nfs/dbraw/zinc/21/91/47/288219147.db2.gz XKQJHASNWVCPQB-VVWQDTPRSA-N 1 3 317.477 2.265 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2N)C[C@@H](C)O1 ZINC000422951081 288219149 /nfs/dbraw/zinc/21/91/49/288219149.db2.gz XKQJHASNWVCPQB-VVWQDTPRSA-N 1 3 317.477 2.265 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000417695807 281053246 /nfs/dbraw/zinc/05/32/46/281053246.db2.gz GFNAQNCLKFZPGW-JKSUJKDBSA-N 1 3 312.502 2.266 20 0 DEADHO CCN(CC)[C@H](CNC(=O)C[C@@H]1CC[NH2+]C1)c1ccsc1 ZINC000130421231 281939162 /nfs/dbraw/zinc/93/91/62/281939162.db2.gz KYQFCSYQIZUCBS-DZGCQCFKSA-N 1 3 309.479 2.247 20 0 DEADHO C[NH+](C)C/C=C\C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000491864696 282022427 /nfs/dbraw/zinc/02/24/27/282022427.db2.gz GSONWBAFPMQETH-YFHOEESVSA-N 1 3 315.461 2.057 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000423975668 289224766 /nfs/dbraw/zinc/22/47/66/289224766.db2.gz OFBKUBBVBYWGQY-QZTJIDSGSA-N 1 3 315.461 2.352 20 0 DEADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000423757243 289406073 /nfs/dbraw/zinc/40/60/73/289406073.db2.gz HXWKANDMXFTKOE-LSDHHAIUSA-N 1 3 309.498 2.201 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C1CC[NH+](CC[C@H](C)F)CC1 ZINC001423666309 1173476618 /nfs/dbraw/zinc/47/66/18/1173476618.db2.gz MXJYQLUCVSTHRL-GJZGRUSLSA-N 1 3 315.477 2.293 20 0 DEADHO COc1ccc([C@@H](CN[C@@H](C)C2C[NH2+]C2)N2CCCCC2)cc1 ZINC000422772880 295213389 /nfs/dbraw/zinc/21/33/89/295213389.db2.gz ZEYWVALZIDZEEK-HNAYVOBHSA-N 1 3 317.477 2.420 20 0 DEADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCc1nnc2n1CCCCC2 ZINC000422927288 295268273 /nfs/dbraw/zinc/26/82/73/295268273.db2.gz YQBOUPLXDOGGIS-HUUCEWRRSA-N 1 3 305.470 2.044 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000423640408 295330596 /nfs/dbraw/zinc/33/05/96/295330596.db2.gz KDABOVQGAUYZAG-NWDGAFQWSA-N 1 3 322.478 2.195 20 0 DEADHO C[C@H](C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)N1CCCCCC1 ZINC000174319232 298076062 /nfs/dbraw/zinc/07/60/62/298076062.db2.gz AGFZNSVLBXHSRK-SJORKVTESA-N 1 3 307.482 2.195 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N(CCN(C)C)CC2CCCCC2)CC[NH2+]1 ZINC000423761293 300396474 /nfs/dbraw/zinc/39/64/74/300396474.db2.gz OIESWWPYYKMIDV-RDJZCZTQSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1cccc2c(CC[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)N)c[nH]c21 ZINC000422777451 302053548 /nfs/dbraw/zinc/05/35/48/302053548.db2.gz FZVUPLRPDUZHEO-XOKHGSTOSA-N 1 3 301.434 2.361 20 0 DEADHO C[C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)CC[N@@H+]1CC1CC1 ZINC001424546210 1173826085 /nfs/dbraw/zinc/82/60/85/1173826085.db2.gz GRVQJKOTDOPTAB-GOEBONIOSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)CC[N@H+]1CC1CC1 ZINC001424546210 1173826093 /nfs/dbraw/zinc/82/60/93/1173826093.db2.gz GRVQJKOTDOPTAB-GOEBONIOSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)COc2c(C)cccc2C)C1 ZINC000573358792 326049383 /nfs/dbraw/zinc/04/93/83/326049383.db2.gz STDFIGWSVCJILF-QZTJIDSGSA-N 1 3 320.477 2.365 20 0 DEADHO C[C@@H]1CC2(CN1C(=O)c1ccc(CN(C)C)cc1)CC[NH2+]CC2 ZINC000574157195 326127917 /nfs/dbraw/zinc/12/79/17/326127917.db2.gz WWSGZAWKVFHJMB-OAHLLOKOSA-N 1 3 315.461 2.352 20 0 DEADHO C[N@H+](C[C@@H](O)CNCCSCc1ccccc1F)C1CC1 ZINC000574312369 326142806 /nfs/dbraw/zinc/14/28/06/326142806.db2.gz INPKUSKDMRZABE-HNNXBMFYSA-N 1 3 312.454 2.104 20 0 DEADHO C[N@@H+](C[C@@H](O)CNCCSCc1ccccc1F)C1CC1 ZINC000574312369 326142808 /nfs/dbraw/zinc/14/28/08/326142808.db2.gz INPKUSKDMRZABE-HNNXBMFYSA-N 1 3 312.454 2.104 20 0 DEADHO [NH3+]Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000574320881 326144040 /nfs/dbraw/zinc/14/40/40/326144040.db2.gz KZFCCGCTDIHCGG-QGZVFWFLSA-N 1 3 324.428 2.391 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000575879310 326253598 /nfs/dbraw/zinc/25/35/98/326253598.db2.gz PWJHKTQWOKRLRW-SFHVURJKSA-N 1 3 317.477 2.395 20 0 DEADHO Cc1cccc(OC[C@H](O)C[NH2+]C[C@H](C)CN2CCCCC2)c1 ZINC000582601381 337112012 /nfs/dbraw/zinc/11/20/12/337112012.db2.gz KFGSWNGEXDIYQD-ZWKOTPCHSA-N 1 3 320.477 2.446 20 0 DEADHO NC[C@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000582719666 337124849 /nfs/dbraw/zinc/12/48/49/337124849.db2.gz BCBQDQAJJVFYLN-KBXIAJHMSA-N 1 3 320.437 2.274 20 0 DEADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000582903787 337213478 /nfs/dbraw/zinc/21/34/78/337213478.db2.gz PEMGNRWSFUHHBH-CABCVRRESA-N 1 3 312.502 2.266 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000584528271 337356288 /nfs/dbraw/zinc/35/62/88/337356288.db2.gz KVWWYYFEMHJUKY-IXDOHACOSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@H](CNC(=O)[C@@H](CC)N(C)C)[NH2+]CC1CC2(CCC2)C1 ZINC001378260883 1152260352 /nfs/dbraw/zinc/26/03/52/1152260352.db2.gz IDUFMMPJDWYSNG-HZPDHXFCSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CC1CC(C)C1 ZINC001378304243 1152285956 /nfs/dbraw/zinc/28/59/56/1152285956.db2.gz SYNYGWUKXCBFQK-GPANFISMSA-N 1 3 311.514 2.495 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]C/C=C\Cl)CC1)N(C)C ZINC001378455003 1152335889 /nfs/dbraw/zinc/33/58/89/1152335889.db2.gz ZMMWDVZNFDVHIS-WEJIRUBYSA-N 1 3 301.862 2.096 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001378508799 1152356360 /nfs/dbraw/zinc/35/63/60/1152356360.db2.gz WTNHAWGYZNDSJY-HZPDHXFCSA-N 1 3 313.461 2.047 20 0 DEADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2sccc2OC)CC1 ZINC001414077423 1149012272 /nfs/dbraw/zinc/01/22/72/1149012272.db2.gz HKTSZBOKHIELQZ-AWEZNQCLSA-N 1 3 311.495 2.120 20 0 DEADHO CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001398601762 1161011111 /nfs/dbraw/zinc/01/11/11/1161011111.db2.gz ZKYWVIGDZMXTRA-JKSUJKDBSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001398601762 1161011119 /nfs/dbraw/zinc/01/11/19/1161011119.db2.gz ZKYWVIGDZMXTRA-JKSUJKDBSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)N(CC[N@H+](C)CC1CC(C)C1)C(=O)CN1CCCC1 ZINC001369533338 1149025001 /nfs/dbraw/zinc/02/50/01/1149025001.db2.gz UTWYYXXGQPNRJK-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)N(CC[N@@H+](C)CC1CC(C)C1)C(=O)CN1CCCC1 ZINC001369533338 1149025007 /nfs/dbraw/zinc/02/50/07/1149025007.db2.gz UTWYYXXGQPNRJK-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CN(CC(=O)NCC1([NH2+]C/C=C/Cl)CCCC1)C1CCC1 ZINC001378695732 1152417256 /nfs/dbraw/zinc/41/72/56/1152417256.db2.gz YYXRYBNFXMMZCA-BJMVGYQFSA-N 1 3 313.873 2.242 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)N1C[C@@H](C)[C@H]([NH3+])C1)c1ccccc1 ZINC000417621586 533785251 /nfs/dbraw/zinc/78/52/51/533785251.db2.gz HINSOBOFEMVNKS-IJEWVQPXSA-N 1 3 318.465 2.104 20 0 DEADHO COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)cc1 ZINC000423016800 533789027 /nfs/dbraw/zinc/78/90/27/533789027.db2.gz UOPYQZWCHJBUCL-LBTBCDHLSA-N 1 3 306.450 2.216 20 0 DEADHO C[C@H](NC1CC1)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295763462 533799535 /nfs/dbraw/zinc/79/95/35/533799535.db2.gz QILYPRXIGUHCQN-ZOBUZTSGSA-N 1 3 315.461 2.154 20 0 DEADHO C[C@H](NC1CC1)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295763462 533799540 /nfs/dbraw/zinc/79/95/40/533799540.db2.gz QILYPRXIGUHCQN-ZOBUZTSGSA-N 1 3 315.461 2.154 20 0 DEADHO C[C@H](NC1CCN(C(=O)c2ccoc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422823247 533808802 /nfs/dbraw/zinc/80/88/02/533808802.db2.gz CWWUYHJUCDCHKS-XJKSGUPXSA-N 1 3 305.422 2.004 20 0 DEADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000188760552 534105884 /nfs/dbraw/zinc/10/58/84/534105884.db2.gz MOWQLVIMXPFABN-JLJPHGGASA-N 1 3 319.424 2.028 20 0 DEADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(N2CCC2=O)c1 ZINC000423096882 534180392 /nfs/dbraw/zinc/18/03/92/534180392.db2.gz IJVMKIHDLAVCBT-HNAYVOBHSA-N 1 3 323.440 2.471 20 0 DEADHO CCc1cccc(C[NH2+]C[C@H](C)NC(=O)[C@H](CC)N(C)C)c1 ZINC001401702960 1162083366 /nfs/dbraw/zinc/08/33/66/1162083366.db2.gz QJVHQUJINDOKHE-YOEHRIQHSA-N 1 3 305.466 2.184 20 0 DEADHO CCN(C)CCNC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000112925845 520234553 /nfs/dbraw/zinc/23/45/53/520234553.db2.gz IJJVSRSJYNOEKO-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO CCN(C)CCNC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000112925845 520234557 /nfs/dbraw/zinc/23/45/57/520234557.db2.gz IJJVSRSJYNOEKO-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO CC[N@H+](Cc1ccc(C(=O)NC2CCN(C)CC2)cc1)C1CC1 ZINC000338038925 521303566 /nfs/dbraw/zinc/30/35/66/521303566.db2.gz CQYBUEBTCSNCGG-UHFFFAOYSA-N 1 3 315.461 2.495 20 0 DEADHO CC[N@@H+](Cc1ccc(C(=O)NC2CCN(C)CC2)cc1)C1CC1 ZINC000338038925 521303579 /nfs/dbraw/zinc/30/35/79/521303579.db2.gz CQYBUEBTCSNCGG-UHFFFAOYSA-N 1 3 315.461 2.495 20 0 DEADHO CC[NH+]1CCC(CCNCc2ccnn2CCCOC)CC1 ZINC000338462098 521550268 /nfs/dbraw/zinc/55/02/68/521550268.db2.gz RKFSTJXQOCQAPU-UHFFFAOYSA-N 1 3 308.470 2.131 20 0 DEADHO CCN1CCC(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000337344355 521576065 /nfs/dbraw/zinc/57/60/65/521576065.db2.gz TXWOKSCIGIXDCJ-GJZGRUSLSA-N 1 3 310.486 2.033 20 0 DEADHO CCN1CCC(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000337344355 521576069 /nfs/dbraw/zinc/57/60/69/521576069.db2.gz TXWOKSCIGIXDCJ-GJZGRUSLSA-N 1 3 310.486 2.033 20 0 DEADHO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000246245488 521834965 /nfs/dbraw/zinc/83/49/65/521834965.db2.gz JHUGMTUPNDMPMR-USXIJHARSA-N 1 3 303.450 2.141 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000155672897 521950022 /nfs/dbraw/zinc/95/00/22/521950022.db2.gz TUXURALEZWZRIF-JQHSSLGASA-N 1 3 317.477 2.041 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000155672897 521950032 /nfs/dbraw/zinc/95/00/32/521950032.db2.gz TUXURALEZWZRIF-JQHSSLGASA-N 1 3 317.477 2.041 20 0 DEADHO [NH3+]CC[C@H]1CCCN(CC(=O)N[C@H](c2ccccc2)C2CC2)C1 ZINC000443057139 534654583 /nfs/dbraw/zinc/65/45/83/534654583.db2.gz FQUVMTSDYJZXBT-DNVCBOLYSA-N 1 3 315.461 2.315 20 0 DEADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCN1CCC[C@@H](C)C1 ZINC000338292266 524343078 /nfs/dbraw/zinc/34/30/78/524343078.db2.gz RTLPAJFZNQYYMG-IXDOHACOSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCN1CCC[C@@H](C)C1 ZINC000338292266 524343082 /nfs/dbraw/zinc/34/30/82/524343082.db2.gz RTLPAJFZNQYYMG-IXDOHACOSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCN1CCCCC1 ZINC000338260411 524364659 /nfs/dbraw/zinc/36/46/59/524364659.db2.gz JJRBFCZBJMXEOL-IXDOHACOSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCN1CCCCC1 ZINC000338260411 524364667 /nfs/dbraw/zinc/36/46/67/524364667.db2.gz JJRBFCZBJMXEOL-IXDOHACOSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCC(C)CC1 ZINC000338403389 524425945 /nfs/dbraw/zinc/42/59/45/524425945.db2.gz CRJRHKQGOWWJPI-ZACQAIPSSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CCC(C)CC1 ZINC000338403389 524425952 /nfs/dbraw/zinc/42/59/52/524425952.db2.gz CRJRHKQGOWWJPI-ZACQAIPSSA-N 1 3 322.497 2.033 20 0 DEADHO Cc1nc([C@H]2CCC[N@H+](CCCCn3ccnc3C)C2)n[nH]1 ZINC000336855053 527076647 /nfs/dbraw/zinc/07/66/47/527076647.db2.gz GMSQLECPVIIATM-HNNXBMFYSA-N 1 3 302.426 2.278 20 0 DEADHO Cc1nc([C@H]2CCC[N@@H+](CCCCn3ccnc3C)C2)n[nH]1 ZINC000336855053 527076652 /nfs/dbraw/zinc/07/66/52/527076652.db2.gz GMSQLECPVIIATM-HNNXBMFYSA-N 1 3 302.426 2.278 20 0 DEADHO Cc1ncc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)s1 ZINC000363807649 527254256 /nfs/dbraw/zinc/25/42/56/527254256.db2.gz XWEYKTKJJSEMHT-UHFFFAOYSA-N 1 3 322.522 2.301 20 0 DEADHO CC(C)(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)[C@H](N)c1ccccc1 ZINC000417826964 527529597 /nfs/dbraw/zinc/52/95/97/527529597.db2.gz FBCMBLRKZBSPRN-NWDGAFQWSA-N 1 3 317.355 2.109 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418525048 528080695 /nfs/dbraw/zinc/08/06/95/528080695.db2.gz XDLOFGAEACNVEO-UHFFFAOYSA-N 1 3 324.513 2.284 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418322610 528084868 /nfs/dbraw/zinc/08/48/68/528084868.db2.gz TXOPQUPVYAAUAH-QGZVFWFLSA-N 1 3 324.513 2.284 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)CC1(C[NH3+])CC1)c1ccccc1 ZINC000422712506 528235723 /nfs/dbraw/zinc/23/57/23/528235723.db2.gz GRXSRVYGQSAAOJ-INIZCTEOSA-N 1 3 303.450 2.315 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N[C@H](C)CC[NH3+])c1ccccc1 ZINC000416848886 528276061 /nfs/dbraw/zinc/27/60/61/528276061.db2.gz XHWNNWYUMJFGBJ-GDBMZVCRSA-N 1 3 306.454 2.106 20 0 DEADHO CCCOCc1ccccc1CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422688132 528598126 /nfs/dbraw/zinc/59/81/26/528598126.db2.gz CQRSCMUGELSWFF-BMGDILEWSA-N 1 3 306.450 2.455 20 0 DEADHO CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CCNCC[C@H]2C)CC1 ZINC000422699186 528721253 /nfs/dbraw/zinc/72/12/53/528721253.db2.gz AINDESKUBCXUCS-RHSMWYFYSA-N 1 3 309.498 2.391 20 0 DEADHO CCN(Cc1ccc(C(=O)N(C)C2CC[NH2+]CC2)cc1)C1CC1 ZINC000428315122 528773202 /nfs/dbraw/zinc/77/32/02/528773202.db2.gz ASKZKXSXUYMANN-UHFFFAOYSA-N 1 3 315.461 2.495 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000418398526 528779495 /nfs/dbraw/zinc/77/94/95/528779495.db2.gz FKGGXDPPOFAFQQ-QGZVFWFLSA-N 1 3 320.481 2.263 20 0 DEADHO CCCC[C@@H](C[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000418467113 528803505 /nfs/dbraw/zinc/80/35/05/528803505.db2.gz ONZUIJJAMLLAMB-HNNXBMFYSA-N 1 3 324.469 2.179 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN[C@H](c2ccccc2)C2CC2)CC1 ZINC000442534528 528979646 /nfs/dbraw/zinc/97/96/46/528979646.db2.gz ZSQVFZRCYRVDBD-LJQANCHMSA-N 1 3 315.461 2.328 20 0 DEADHO CC(C)[C@H]([NH3+])CNC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000417708503 529057541 /nfs/dbraw/zinc/05/75/41/529057541.db2.gz SCYBSJRGZNUUOF-GOEBONIOSA-N 1 3 320.481 2.398 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)NC(C)(C)CC[NH3+])c1ccco1 ZINC000422624585 529182352 /nfs/dbraw/zinc/18/23/52/529182352.db2.gz ZZJMXGNRBPIZLU-QWHCGFSZSA-N 1 3 310.442 2.135 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N1C[C@H](C[NH3+])C[C@H]1C)c1ccco1 ZINC000418168031 529182533 /nfs/dbraw/zinc/18/25/33/529182533.db2.gz NLTPXYBCXVQGHM-LJISPDSOSA-N 1 3 322.453 2.088 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000417709920 529272515 /nfs/dbraw/zinc/27/25/15/529272515.db2.gz WXIPPBKZQLCBNJ-ARFHVFGLSA-N 1 3 310.486 2.020 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000417705042 529272664 /nfs/dbraw/zinc/27/26/64/529272664.db2.gz RWDLKPINRCCWJE-BRWVUGGUSA-N 1 3 324.513 2.315 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000189857455 529272869 /nfs/dbraw/zinc/27/28/69/529272869.db2.gz HQMWNLCMEXBZOA-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000357620231 535015433 /nfs/dbraw/zinc/01/54/33/535015433.db2.gz ULPAIASBGDBVEJ-OAHLLOKOSA-N 1 3 320.481 2.276 20 0 DEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000357620231 535015435 /nfs/dbraw/zinc/01/54/35/535015435.db2.gz ULPAIASBGDBVEJ-OAHLLOKOSA-N 1 3 320.481 2.276 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262343576 535479535 /nfs/dbraw/zinc/47/95/35/535479535.db2.gz TUEXQFPGNQKUOF-QSFKDOLUSA-N 1 3 307.482 2.131 20 0 DEADHO CCc1cccc(NC(=[NH2+])NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000360572872 535893846 /nfs/dbraw/zinc/89/38/46/535893846.db2.gz NLMZIAPAFJNWCL-JKSUJKDBSA-N 1 3 302.422 2.048 20 0 DEADHO CC[C@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)[C@H]1CCOC1 ZINC000359218376 535921442 /nfs/dbraw/zinc/92/14/42/535921442.db2.gz BJZFZIJFKKNKGO-OTWHNJEPSA-N 1 3 318.461 2.158 20 0 DEADHO CN(C)Cc1ccc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000458178225 535997305 /nfs/dbraw/zinc/99/73/05/535997305.db2.gz WJSVGHOEBCKPQA-OAHLLOKOSA-N 1 3 303.450 2.210 20 0 DEADHO CN(C)Cc1ccc(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000458178225 535997307 /nfs/dbraw/zinc/99/73/07/535997307.db2.gz WJSVGHOEBCKPQA-OAHLLOKOSA-N 1 3 303.450 2.210 20 0 DEADHO CN(C)Cc1cccc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000355857849 536021347 /nfs/dbraw/zinc/02/13/47/536021347.db2.gz UNBVLWQRYXYYRS-MRXNPFEDSA-N 1 3 303.450 2.162 20 0 DEADHO CN(C)Cc1cccc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000355857849 536021349 /nfs/dbraw/zinc/02/13/49/536021349.db2.gz UNBVLWQRYXYYRS-MRXNPFEDSA-N 1 3 303.450 2.162 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC2(C)CC[NH+](C)CC2)c1 ZINC000356984945 536025431 /nfs/dbraw/zinc/02/54/31/536025431.db2.gz REKWSAPCRZIFHB-UHFFFAOYSA-N 1 3 303.450 2.210 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC000458166814 536025515 /nfs/dbraw/zinc/02/55/15/536025515.db2.gz MJNJNPYDIYLFDC-OAHLLOKOSA-N 1 3 303.450 2.210 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000458166814 536025521 /nfs/dbraw/zinc/02/55/21/536025521.db2.gz MJNJNPYDIYLFDC-OAHLLOKOSA-N 1 3 303.450 2.210 20 0 DEADHO CN(C)Cc1ccccc1CNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000262396859 536047519 /nfs/dbraw/zinc/04/75/19/536047519.db2.gz BZOZAVYYDHVQQW-RHSMWYFYSA-N 1 3 303.450 2.272 20 0 DEADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000449118239 536351766 /nfs/dbraw/zinc/35/17/66/536351766.db2.gz XDYXQMHRMDIGKT-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CN(CCNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])Cc1ccccc1 ZINC000263017036 536384572 /nfs/dbraw/zinc/38/45/72/536384572.db2.gz QLEFCFHRJQQEAM-WMZOPIPTSA-N 1 3 303.450 2.142 20 0 DEADHO COC[C@@H]1CCCN(C/C=C/C[N@@H+]2CCC[C@@H](COC)C2)C1 ZINC000246802444 536754017 /nfs/dbraw/zinc/75/40/17/536754017.db2.gz RBOFQIQNRNYVQQ-GVKUHWBJSA-N 1 3 310.482 2.259 20 0 DEADHO COC[C@@H]1CCCN(C/C=C/C[N@H+]2CCC[C@@H](COC)C2)C1 ZINC000246802444 536754023 /nfs/dbraw/zinc/75/40/23/536754023.db2.gz RBOFQIQNRNYVQQ-GVKUHWBJSA-N 1 3 310.482 2.259 20 0 DEADHO C[NH+](C)C1CCN(CCN[C@@H]2CCCc3c(O)cccc32)CC1 ZINC000283946928 537704334 /nfs/dbraw/zinc/70/43/34/537704334.db2.gz FOOHNVSQFDINKR-GOSISDBHSA-N 1 3 317.477 2.385 20 0 DEADHO CC(C)[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001379020868 1152533505 /nfs/dbraw/zinc/53/35/05/1152533505.db2.gz IYTCVRLEIHMPID-IRXDYDNUSA-N 1 3 309.498 2.484 20 0 DEADHO CC(C)N(C)CC(=O)N(C)[C@H](C[NH2+]Cc1ccsc1)C1CC1 ZINC001379051830 1152548627 /nfs/dbraw/zinc/54/86/27/1152548627.db2.gz DIAMVUABEZSZOH-MRXNPFEDSA-N 1 3 323.506 2.415 20 0 DEADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1C)N(C)C ZINC001379232841 1152594409 /nfs/dbraw/zinc/59/44/09/1152594409.db2.gz VYELOTIYWKMPKR-WBVHZDCISA-N 1 3 305.466 2.272 20 0 DEADHO Cc1cccc(C[NH2+]C[C@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001379517253 1152635806 /nfs/dbraw/zinc/63/58/06/1152635806.db2.gz SOWVGVRMQWJNPZ-HNNXBMFYSA-N 1 3 303.450 2.074 20 0 DEADHO CCC[NH+]1CCC(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736479227 598285861 /nfs/dbraw/zinc/28/58/61/598285861.db2.gz DZMIKEWBMWVDTJ-UHFFFAOYSA-N 1 3 314.437 2.078 20 0 DEADHO CCC[NH+]1CCC(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736479227 598285862 /nfs/dbraw/zinc/28/58/62/598285862.db2.gz DZMIKEWBMWVDTJ-UHFFFAOYSA-N 1 3 314.437 2.078 20 0 DEADHO C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820404348 607089403 /nfs/dbraw/zinc/08/94/03/607089403.db2.gz SQTKEHLEWPKNOE-STQMWFEESA-N 1 3 314.437 2.248 20 0 DEADHO C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820404348 607089404 /nfs/dbraw/zinc/08/94/04/607089404.db2.gz SQTKEHLEWPKNOE-STQMWFEESA-N 1 3 314.437 2.248 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001381125240 1152918195 /nfs/dbraw/zinc/91/81/95/1152918195.db2.gz UCQNLWMLIZOIFT-ZBFHGGJFSA-N 1 3 309.498 2.201 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001362635938 1153019952 /nfs/dbraw/zinc/01/99/52/1153019952.db2.gz ZNNIHDTXTYFQTH-XHSDSOJGSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001023632128 625363034 /nfs/dbraw/zinc/36/30/34/625363034.db2.gz DVGAIHIRANEHSW-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001023632128 625363035 /nfs/dbraw/zinc/36/30/35/625363035.db2.gz DVGAIHIRANEHSW-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1nnc(CNCC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000893304227 625437895 /nfs/dbraw/zinc/43/78/95/625437895.db2.gz JTQGKNANFHUFLZ-UHFFFAOYSA-N 1 3 303.435 2.248 20 0 DEADHO CC(C)C[C@@H](N)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000236696277 625456040 /nfs/dbraw/zinc/45/60/40/625456040.db2.gz LWAFEFHYTGDFSC-YESZJQIVSA-N 1 3 309.498 2.473 20 0 DEADHO CC(C)C[C@@H](N)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000236696277 625456042 /nfs/dbraw/zinc/45/60/42/625456042.db2.gz LWAFEFHYTGDFSC-YESZJQIVSA-N 1 3 309.498 2.473 20 0 DEADHO C[C@H]1CCCN1CC(=O)NC1CCC([NH2+]CCC2CC2)CC1 ZINC001026561236 625523311 /nfs/dbraw/zinc/52/33/11/625523311.db2.gz TUWZFTQIAYIKNW-OOHWJJMZSA-N 1 3 307.482 2.288 20 0 DEADHO CC(=O)OC[C@H](C)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000892741205 625527329 /nfs/dbraw/zinc/52/73/29/625527329.db2.gz RLRHHQSNOKFOAJ-MAUKXSAKSA-N 1 3 304.434 2.440 20 0 DEADHO CC(=O)OC[C@H](C)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000892741205 625527334 /nfs/dbraw/zinc/52/73/34/625527334.db2.gz RLRHHQSNOKFOAJ-MAUKXSAKSA-N 1 3 304.434 2.440 20 0 DEADHO CC1(C)[C@H](N[C@@H](CCO)Cc2ccccc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925661402 625565756 /nfs/dbraw/zinc/56/57/56/625565756.db2.gz DDJXPZWKKXDKSJ-XWTMOSNGSA-N 1 3 302.462 2.346 20 0 DEADHO CC1(C)[C@H]([NH2+][C@@H](CCO)Cc2ccccc2)[C@@H]2CCCN[C@@H]21 ZINC000925661402 625565764 /nfs/dbraw/zinc/56/57/64/625565764.db2.gz DDJXPZWKKXDKSJ-XWTMOSNGSA-N 1 3 302.462 2.346 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCCC2)C1 ZINC000969794130 622924367 /nfs/dbraw/zinc/92/43/67/622924367.db2.gz VOAQNZJJJXCQFY-CRAIPNDOSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1 ZINC001020587886 622926159 /nfs/dbraw/zinc/92/61/59/622926159.db2.gz YQMZIDCUBJVBSW-DJIMGWMZSA-N 1 3 307.482 2.288 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2c(C)cccc2C)C1)N(C)C ZINC000969988223 623037250 /nfs/dbraw/zinc/03/72/50/623037250.db2.gz ANBPLUSLHZBEEB-AEFFLSMTSA-N 1 3 317.477 2.334 20 0 DEADHO C[C@@H](N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)c1ccccc1F ZINC001021045245 623309545 /nfs/dbraw/zinc/30/95/45/623309545.db2.gz YMKMRZOCQRXOEA-KBUPBQIOSA-N 1 3 319.424 2.075 20 0 DEADHO C[C@@H](N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1ccccc1F ZINC001021045245 623309548 /nfs/dbraw/zinc/30/95/48/623309548.db2.gz YMKMRZOCQRXOEA-KBUPBQIOSA-N 1 3 319.424 2.075 20 0 DEADHO [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000892440952 625647750 /nfs/dbraw/zinc/64/77/50/625647750.db2.gz HMMREQFEVJWJTG-WKILWMFISA-N 1 3 322.497 2.164 20 0 DEADHO CC[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)c1ccccc1 ZINC000970716899 623639082 /nfs/dbraw/zinc/63/90/82/623639082.db2.gz IEUYUXVYVNIHSQ-MSOLQXFVSA-N 1 3 315.461 2.424 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000970800019 623689516 /nfs/dbraw/zinc/68/95/16/623689516.db2.gz KRRLWOBHFLNQBC-QZTJIDSGSA-N 1 3 315.461 2.252 20 0 DEADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1C[C@H]([NH3+])C1)c1ccsc1 ZINC000891349411 624047584 /nfs/dbraw/zinc/04/75/84/624047584.db2.gz VBXORYHSLLHYAG-BPLDGKMQSA-N 1 3 324.494 2.168 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC000971202020 624068666 /nfs/dbraw/zinc/06/86/66/624068666.db2.gz RYUBPTSVTYQTLC-HOTGVXAUSA-N 1 3 307.482 2.050 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC000971202020 624068667 /nfs/dbraw/zinc/06/86/67/624068667.db2.gz RYUBPTSVTYQTLC-HOTGVXAUSA-N 1 3 307.482 2.050 20 0 DEADHO CC1CC(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000972337719 624933376 /nfs/dbraw/zinc/93/33/76/624933376.db2.gz BOTSJJYKUBXDHR-OFLPRAFFSA-N 1 3 321.509 2.297 20 0 DEADHO CC1CC(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000972337719 624933378 /nfs/dbraw/zinc/93/33/78/624933378.db2.gz BOTSJJYKUBXDHR-OFLPRAFFSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CC2)C1 ZINC001022807186 624937486 /nfs/dbraw/zinc/93/74/86/624937486.db2.gz FLFFZYJSXXFPKV-IXDOHACOSA-N 1 3 307.482 2.286 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC1 ZINC001024962441 625120723 /nfs/dbraw/zinc/12/07/23/625120723.db2.gz PSOSVTRRRIXRNN-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO CN(C)[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1)C1CC1 ZINC001024986670 625127836 /nfs/dbraw/zinc/12/78/36/625127836.db2.gz ZOQIZAZYFDIOKY-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001023024602 625138594 /nfs/dbraw/zinc/13/85/94/625138594.db2.gz ARBREUTXVMJGSD-VBNZEHGJSA-N 1 3 312.417 2.259 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+]Cc2cc(O)cc(Cl)c2)CC1 ZINC000892573712 625161126 /nfs/dbraw/zinc/16/11/26/625161126.db2.gz DLNQRHUPWNLXSW-CYBMUJFWSA-N 1 3 311.857 2.161 20 0 DEADHO C[C@@H]1CN(C(C)(C)CN[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C[C@H](C)O1 ZINC000925518365 625171095 /nfs/dbraw/zinc/17/10/95/625171095.db2.gz YDGHTEQBQZCNOZ-BPKGMFCQSA-N 1 3 323.525 2.240 20 0 DEADHO C[C@@H]1NCCC[C@@H]1[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000925533221 625233035 /nfs/dbraw/zinc/23/30/35/625233035.db2.gz ZASAVHVADUDHPM-BPNCWPANSA-N 1 3 318.339 2.349 20 0 DEADHO CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]12 ZINC001026265884 625239190 /nfs/dbraw/zinc/23/91/90/625239190.db2.gz BCUAVCVUCUGTEE-BZUAXINKSA-N 1 3 307.482 2.097 20 0 DEADHO CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001027692351 634446734 /nfs/dbraw/zinc/44/67/34/634446734.db2.gz GPWPJUVGDNXZMZ-MRXNPFEDSA-N 1 3 303.450 2.305 20 0 DEADHO CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001027692351 634446738 /nfs/dbraw/zinc/44/67/38/634446738.db2.gz GPWPJUVGDNXZMZ-MRXNPFEDSA-N 1 3 303.450 2.305 20 0 DEADHO COc1ccc2nccc(N3CC[N@H+](CCO)C(C)(C)C3)c2c1 ZINC000893367887 625736607 /nfs/dbraw/zinc/73/66/07/625736607.db2.gz FGLUGCBCNUZPTA-UHFFFAOYSA-N 1 3 315.417 2.136 20 0 DEADHO COc1ccc2nccc(N3CC[N@@H+](CCO)C(C)(C)C3)c2c1 ZINC000893367887 625736612 /nfs/dbraw/zinc/73/66/12/625736612.db2.gz FGLUGCBCNUZPTA-UHFFFAOYSA-N 1 3 315.417 2.136 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CC2=CCCCC2)C1)N(C)C ZINC001000216745 634797926 /nfs/dbraw/zinc/79/79/26/634797926.db2.gz DSVNETSCOGRBFM-IRXDYDNUSA-N 1 3 307.482 2.408 20 0 DEADHO CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC1(C)C ZINC000995823977 633123206 /nfs/dbraw/zinc/12/32/06/633123206.db2.gz PDZBOCAKYWMZKK-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]CC2CCC2)C(C)(C)C1 ZINC000995874463 633132792 /nfs/dbraw/zinc/13/27/92/633132792.db2.gz UYKJWGFDQZAXHQ-SJORKVTESA-N 1 3 321.509 2.488 20 0 DEADHO CN(CC(=O)N1CC[C@H](C[NH2+]Cc2ccsc2)C1)C1CCC1 ZINC001026888923 633243655 /nfs/dbraw/zinc/24/36/55/633243655.db2.gz PBOCHOZCSMLKPB-CQSZACIVSA-N 1 3 321.490 2.171 20 0 DEADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2ccc(F)cc2)CC1)N(C)C ZINC000996710390 633357498 /nfs/dbraw/zinc/35/74/98/633357498.db2.gz CVXCRGUBBBXQDR-QGZVFWFLSA-N 1 3 321.440 2.247 20 0 DEADHO CC[C@H](C(=O)N1CCC([NH2+]CC2CC3(CCC3)C2)CC1)N(C)C ZINC000996711836 633365566 /nfs/dbraw/zinc/36/55/66/633365566.db2.gz LLARSDDZXNRCMO-QGZVFWFLSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccsc2)C1)N(C)C ZINC001027070173 633419841 /nfs/dbraw/zinc/41/98/41/633419841.db2.gz LGOAXUMFXCZWEN-HIFRSBDPSA-N 1 3 309.479 2.026 20 0 DEADHO CN1C(=O)c2ccccc2[C@@H]1CN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925716072 633447211 /nfs/dbraw/zinc/44/72/11/633447211.db2.gz ADHVJMANYQTBBU-WWGRRREGSA-N 1 3 301.434 2.309 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001027217608 633500455 /nfs/dbraw/zinc/50/04/55/633500455.db2.gz NCKISMCOOOWHBI-QGZVFWFLSA-N 1 3 315.461 2.029 20 0 DEADHO CC1CCC(C[NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)CC1 ZINC001027217031 633500608 /nfs/dbraw/zinc/50/06/08/633500608.db2.gz FBHKJUSXAGVCBX-DAWZGUTISA-N 1 3 321.509 2.347 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC000997000449 633558173 /nfs/dbraw/zinc/55/81/73/633558173.db2.gz QCUIBIXZICXOFS-HNNXBMFYSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(F)cc2)CC1)N(C)C ZINC000997008644 633561085 /nfs/dbraw/zinc/56/10/85/633561085.db2.gz CVXCRGUBBBXQDR-KRWDZBQOSA-N 1 3 321.440 2.247 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]CC3CCCCC3)CC2)C1 ZINC000997008800 633561127 /nfs/dbraw/zinc/56/11/27/633561127.db2.gz XFEYZJLFBOZTTR-INIZCTEOSA-N 1 3 321.509 2.489 20 0 DEADHO Cc1cccc(C)c1OCCN1CCC(O)(C[NH+](C)C)CC1 ZINC000931488394 633786714 /nfs/dbraw/zinc/78/67/14/633786714.db2.gz RGWUVCZBYQJKFN-UHFFFAOYSA-N 1 3 306.450 2.071 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@H]([N@H+](C)CC3CCC3)C2)CCC1 ZINC001027441043 633790315 /nfs/dbraw/zinc/79/03/15/633790315.db2.gz QTRYXRKEKDTSPU-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@H]([N@@H+](C)CC3CCC3)C2)CCC1 ZINC001027441043 633790316 /nfs/dbraw/zinc/79/03/16/633790316.db2.gz QTRYXRKEKDTSPU-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2)C1)N(C)C ZINC001027462324 633829289 /nfs/dbraw/zinc/82/92/89/633829289.db2.gz WHRNFSSNGABCOE-ZWKOTPCHSA-N 1 3 317.477 2.450 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2)C1)N(C)C ZINC001027462324 633829292 /nfs/dbraw/zinc/82/92/92/633829292.db2.gz WHRNFSSNGABCOE-ZWKOTPCHSA-N 1 3 317.477 2.450 20 0 DEADHO CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000236739899 633860298 /nfs/dbraw/zinc/86/02/98/633860298.db2.gz YJWAYEUBFNJMLG-HYVNUMGLSA-N 1 3 303.450 2.139 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([N@H+](C)CCC2CC2)C1 ZINC001027576132 634182168 /nfs/dbraw/zinc/18/21/68/634182168.db2.gz KTTNQUCZDQUCHY-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([N@@H+](C)CCC2CC2)C1 ZINC001027576132 634182179 /nfs/dbraw/zinc/18/21/79/634182179.db2.gz KTTNQUCZDQUCHY-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2)C1)N(C)C ZINC001027578855 634190799 /nfs/dbraw/zinc/19/07/99/634190799.db2.gz WHRNFSSNGABCOE-MSOLQXFVSA-N 1 3 317.477 2.450 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2)C1)N(C)C ZINC001027578855 634190800 /nfs/dbraw/zinc/19/08/00/634190800.db2.gz WHRNFSSNGABCOE-MSOLQXFVSA-N 1 3 317.477 2.450 20 0 DEADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]CC2CC3(CCC3)C2)C1 ZINC000998553094 634324355 /nfs/dbraw/zinc/32/43/55/634324355.db2.gz VABQOOQYAIWMSF-OFLPRAFFSA-N 1 3 319.493 2.240 20 0 DEADHO CCC[N@H+](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000980469991 635011919 /nfs/dbraw/zinc/01/19/19/635011919.db2.gz BDAJEFMSXWUJOD-KRWDZBQOSA-N 1 3 303.450 2.305 20 0 DEADHO CCC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000980469991 635011922 /nfs/dbraw/zinc/01/19/22/635011922.db2.gz BDAJEFMSXWUJOD-KRWDZBQOSA-N 1 3 303.450 2.305 20 0 DEADHO CC(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001000370240 635156442 /nfs/dbraw/zinc/15/64/42/635156442.db2.gz KCQOGHRZBSKVIC-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](NCCF)C1 ZINC001000665465 635262897 /nfs/dbraw/zinc/26/28/97/635262897.db2.gz SODBUGKVZTWOPI-CVEARBPZSA-N 1 3 313.461 2.191 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](NCCF)C1 ZINC001000665465 635262901 /nfs/dbraw/zinc/26/29/01/635262901.db2.gz SODBUGKVZTWOPI-CVEARBPZSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)=CCN1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000981369398 635456512 /nfs/dbraw/zinc/45/65/12/635456512.db2.gz KLKFYDCCCPDAJN-KRWDZBQOSA-N 1 3 307.482 2.361 20 0 DEADHO CC(C)=CCN1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000981369398 635456514 /nfs/dbraw/zinc/45/65/14/635456514.db2.gz KLKFYDCCCPDAJN-KRWDZBQOSA-N 1 3 307.482 2.361 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCC1CC[NH+](CCC2CC2)CC1 ZINC001001468630 635502801 /nfs/dbraw/zinc/50/28/01/635502801.db2.gz RAOQXBOFIGPYDQ-GOSISDBHSA-N 1 3 321.509 2.489 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CCC[C@@H]([NH2+]CCF)C1 ZINC000981541325 635523380 /nfs/dbraw/zinc/52/33/80/635523380.db2.gz JZICGJZNWRZWDI-HZPDHXFCSA-N 1 3 321.440 2.348 20 0 DEADHO CC(C)=CC[N@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC000981812686 635666295 /nfs/dbraw/zinc/66/62/95/635666295.db2.gz UAQBWOUGXHTXHQ-QGZVFWFLSA-N 1 3 319.493 2.217 20 0 DEADHO CC(C)=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC000981812686 635666301 /nfs/dbraw/zinc/66/63/01/635666301.db2.gz UAQBWOUGXHTXHQ-QGZVFWFLSA-N 1 3 319.493 2.217 20 0 DEADHO CN(CC(=O)N1CC2(C1)CCC[N@H+](CC1CCC1)C2)C1CCC1 ZINC000981816166 635668156 /nfs/dbraw/zinc/66/81/56/635668156.db2.gz OQTCTAKXNOKCLF-UHFFFAOYSA-N 1 3 319.493 2.195 20 0 DEADHO CN(CC(=O)N1CC2(C1)CCC[N@@H+](CC1CCC1)C2)C1CCC1 ZINC000981816166 635668159 /nfs/dbraw/zinc/66/81/59/635668159.db2.gz OQTCTAKXNOKCLF-UHFFFAOYSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCCN2CCSC[C@@H]12 ZINC000925824542 635703923 /nfs/dbraw/zinc/70/39/23/635703923.db2.gz AEDOEXHIZZNCDB-TWMKSMIVSA-N 1 3 311.539 2.467 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[N@H+](CCCC3CCC3)CC2)C1 ZINC000981957809 635766772 /nfs/dbraw/zinc/76/67/72/635766772.db2.gz VKKFRTRKXQPKTO-KRWDZBQOSA-N 1 3 321.509 2.443 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[N@@H+](CCCC3CCC3)CC2)C1 ZINC000981957809 635766774 /nfs/dbraw/zinc/76/67/74/635766774.db2.gz VKKFRTRKXQPKTO-KRWDZBQOSA-N 1 3 321.509 2.443 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000929263731 635870882 /nfs/dbraw/zinc/87/08/82/635870882.db2.gz OGHKQTFFZXZSDI-IRXDYDNUSA-N 1 3 303.450 2.278 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000929263731 635870883 /nfs/dbraw/zinc/87/08/83/635870883.db2.gz OGHKQTFFZXZSDI-IRXDYDNUSA-N 1 3 303.450 2.278 20 0 DEADHO CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C3CC3)N(C)C)C[C@@]2(C)C1 ZINC000982296561 635954605 /nfs/dbraw/zinc/95/46/05/635954605.db2.gz UWONLMZTWZMZOA-YTQUADARSA-N 1 3 321.509 2.297 20 0 DEADHO CCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C3CC3)N(C)C)C[C@@]2(C)C1 ZINC000982296561 635954607 /nfs/dbraw/zinc/95/46/07/635954607.db2.gz UWONLMZTWZMZOA-YTQUADARSA-N 1 3 321.509 2.297 20 0 DEADHO Cc1ncsc1CN[C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922387029 636152042 /nfs/dbraw/zinc/15/20/42/636152042.db2.gz JISMWDGMLGCZAA-LUYZLQTOSA-N 1 3 309.479 2.021 20 0 DEADHO Cc1ncsc1CN[C@@H]1C[C@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922387029 636152047 /nfs/dbraw/zinc/15/20/47/636152047.db2.gz JISMWDGMLGCZAA-LUYZLQTOSA-N 1 3 309.479 2.021 20 0 DEADHO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1ccc(CN2CCCCC2)o1 ZINC000222533279 636360522 /nfs/dbraw/zinc/36/05/22/636360522.db2.gz OOFRATRIBQUJKK-MRXNPFEDSA-N 1 3 317.433 2.090 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC001028580423 636375992 /nfs/dbraw/zinc/37/59/92/636375992.db2.gz VZVUQLWOAQAGPA-IRXDYDNUSA-N 1 3 307.482 2.265 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001028580423 636375994 /nfs/dbraw/zinc/37/59/94/636375994.db2.gz VZVUQLWOAQAGPA-IRXDYDNUSA-N 1 3 307.482 2.265 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001004457992 636459059 /nfs/dbraw/zinc/45/90/59/636459059.db2.gz NBDLHRCWGDVKOR-ROUUACIJSA-N 1 3 321.509 2.440 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001004457992 636459062 /nfs/dbraw/zinc/45/90/62/636459062.db2.gz NBDLHRCWGDVKOR-ROUUACIJSA-N 1 3 321.509 2.440 20 0 DEADHO CON1CCC([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)CC1 ZINC000924941484 636607592 /nfs/dbraw/zinc/60/75/92/636607592.db2.gz WQIHGJJCRPKRMH-GOSISDBHSA-N 1 3 317.477 2.166 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC=C(C)C)C[C@H]2CC1)N(C)C ZINC000946784526 636652410 /nfs/dbraw/zinc/65/24/10/636652410.db2.gz MSTAKJBUVWKBND-KSZLIROESA-N 1 3 321.509 2.463 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC=C(C)C)C[C@H]2CC1)N(C)C ZINC000946784526 636652412 /nfs/dbraw/zinc/65/24/12/636652412.db2.gz MSTAKJBUVWKBND-KSZLIROESA-N 1 3 321.509 2.463 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)C2CC[NH+](CC3CCC3)CC2)C1 ZINC001005990019 637044739 /nfs/dbraw/zinc/04/47/39/637044739.db2.gz BZIGDCHHYCKTLP-HNNXBMFYSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@H](C)C[NH+]1CCC(N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC001005991479 637046381 /nfs/dbraw/zinc/04/63/81/637046381.db2.gz MUKPFFUCMLZDQF-HOTGVXAUSA-N 1 3 309.498 2.297 20 0 DEADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC[NH+](CC2CCC2)CC1 ZINC001006002095 637062520 /nfs/dbraw/zinc/06/25/20/637062520.db2.gz ULHMLNLHSGKLBN-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC[NH+](CCC2CC2)CC1 ZINC001005999656 637064837 /nfs/dbraw/zinc/06/48/37/637064837.db2.gz CLHSOIOXKVBIKD-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCN(C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000923333027 637120605 /nfs/dbraw/zinc/12/06/05/637120605.db2.gz STZRABRJODBSHT-CORIIIEPSA-N 1 3 316.367 2.278 20 0 DEADHO Cc1ccc(OC[C@H](O)CN2CCCC[C@@H]2CC[NH3+])c(C)c1 ZINC000923353940 637134685 /nfs/dbraw/zinc/13/46/85/637134685.db2.gz OMYDXPJVSFXAOW-IAGOWNOFSA-N 1 3 306.450 2.246 20 0 DEADHO O[C@@H](CN1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccc(F)cc1F ZINC000923364076 637137254 /nfs/dbraw/zinc/13/72/54/637137254.db2.gz GWNYRKNMIWUAQK-IRXDYDNUSA-N 1 3 310.388 2.462 20 0 DEADHO [NH3+]C[C@H](NC[C@H](O)COc1ccccc1F)C1CCCCC1 ZINC000923372751 637141844 /nfs/dbraw/zinc/14/18/44/637141844.db2.gz IZHVXYWEEZAKBY-HOCLYGCPSA-N 1 3 310.413 2.063 20 0 DEADHO C[C@@H]1CCCN(C[C@H](O)COc2ccc(F)cc2)[C@@H]1CC[NH3+] ZINC000923385368 637154084 /nfs/dbraw/zinc/15/40/84/637154084.db2.gz AIFLOIBZUZIOGA-UKPHBRMFSA-N 1 3 310.413 2.015 20 0 DEADHO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CC[C@H](CC[NH3+])C1 ZINC000923486158 637206736 /nfs/dbraw/zinc/20/67/36/637206736.db2.gz NXTKDPZBTGKSSV-QLFBSQMISA-N 1 3 321.490 2.471 20 0 DEADHO C[C@@H](c1ccccc1)N(C)C(=O)CN1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923502119 637212563 /nfs/dbraw/zinc/21/25/63/637212563.db2.gz YLJSNKHMSJERPF-VYDXJSESSA-N 1 3 303.450 2.123 20 0 DEADHO c1ccc([C@@H]2C[C@H](NC[C@H]3COCO3)CC[N@@H+]2C2CC2)cc1 ZINC000894889957 637296943 /nfs/dbraw/zinc/29/69/43/637296943.db2.gz QKSPCEVDPKKWAN-NJAFHUGGSA-N 1 3 302.418 2.317 20 0 DEADHO c1ccc([C@@H]2C[C@H](NC[C@H]3COCO3)CC[N@H+]2C2CC2)cc1 ZINC000894889957 637296945 /nfs/dbraw/zinc/29/69/45/637296945.db2.gz QKSPCEVDPKKWAN-NJAFHUGGSA-N 1 3 302.418 2.317 20 0 DEADHO CC[NH+](CC)CCO[C@H]1CCN(C[C@H](O)c2ccc(F)cc2)C1 ZINC000746676426 638368111 /nfs/dbraw/zinc/36/81/11/638368111.db2.gz VRAXNRPIOGOPTJ-ROUUACIJSA-N 1 3 324.440 2.292 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC000985074349 639044554 /nfs/dbraw/zinc/04/45/54/639044554.db2.gz VBHGEYCSVYDXIO-WKILWMFISA-N 1 3 316.449 2.245 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC([N@H+](C)CC3CCCC3)CC2)C1 ZINC000985656645 639567586 /nfs/dbraw/zinc/56/75/86/639567586.db2.gz YSAGMWGAXWYIAU-INIZCTEOSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC([N@@H+](C)CC3CCCC3)CC2)C1 ZINC000985656645 639567623 /nfs/dbraw/zinc/56/76/23/639567623.db2.gz YSAGMWGAXWYIAU-INIZCTEOSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC([N@H+](C)CC2CC2)CC1 ZINC000985804520 639645629 /nfs/dbraw/zinc/64/56/29/639645629.db2.gz RBYLPPAVJHURFQ-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC([N@@H+](C)CC2CC2)CC1 ZINC000985804520 639645632 /nfs/dbraw/zinc/64/56/32/639645632.db2.gz RBYLPPAVJHURFQ-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H](C[N@H+](C)CC3CCC3)C2)CC1 ZINC001029875153 639694994 /nfs/dbraw/zinc/69/49/94/639694994.db2.gz DVNFNZUZLOTERA-SFHVURJKSA-N 1 3 321.509 2.299 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H](C[N@@H+](C)CC3CCC3)C2)CC1 ZINC001029875153 639694996 /nfs/dbraw/zinc/69/49/96/639694996.db2.gz DVNFNZUZLOTERA-SFHVURJKSA-N 1 3 321.509 2.299 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@H+](C)CC2CCC2)CC1 ZINC001029944963 639920408 /nfs/dbraw/zinc/92/04/08/639920408.db2.gz TVGNREXYFFZETM-QGZVFWFLSA-N 1 3 307.482 2.051 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)CC2CCC2)CC1 ZINC001029944963 639920412 /nfs/dbraw/zinc/92/04/12/639920412.db2.gz TVGNREXYFFZETM-QGZVFWFLSA-N 1 3 307.482 2.051 20 0 DEADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@H]2C)cs1 ZINC000987531767 640213840 /nfs/dbraw/zinc/21/38/40/640213840.db2.gz OECXAVLNUXXKMA-HOCLYGCPSA-N 1 3 321.490 2.231 20 0 DEADHO COc1ccc([C@H](NC(C)C)C(=O)NC[C@@H](C)C[NH+](C)C)cc1 ZINC000897823306 640945665 /nfs/dbraw/zinc/94/56/65/640945665.db2.gz CLTYYPLKLHKMDI-PBHICJAKSA-N 1 3 321.465 2.048 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CCC2CCCC2)CN1C(=O)Cc1c[nH]cn1 ZINC000989490754 641123132 /nfs/dbraw/zinc/12/31/32/641123132.db2.gz ACIZKCYPNXCQBY-BBRMVZONSA-N 1 3 304.438 2.112 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CCC2=CCCCC2)CN1C(=O)Cc1c[nH]cn1 ZINC000989493160 641123577 /nfs/dbraw/zinc/12/35/77/641123577.db2.gz RPNOSSOZUKAMMM-RHSMWYFYSA-N 1 3 316.449 2.422 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC2CCCCC2)CN1C(=O)CN1CCCC1 ZINC000989795825 641234368 /nfs/dbraw/zinc/23/43/68/641234368.db2.gz CGUDVKHUCOJDAN-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO CCCCCCN(C)CC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000770765641 641417563 /nfs/dbraw/zinc/41/75/63/641417563.db2.gz HJDALAHIMTVIEY-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CC1CCC(C[NH2+]C2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000990275655 641429627 /nfs/dbraw/zinc/42/96/27/641429627.db2.gz CPZCLSKDXYLGTJ-LEOMRAHMSA-N 1 3 321.509 2.488 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]CC2=CCCCC2)CC1 ZINC000990276325 641429864 /nfs/dbraw/zinc/42/98/64/641429864.db2.gz HBYCTQUJENYBNS-KRWDZBQOSA-N 1 3 305.466 2.162 20 0 DEADHO CN(C)Cc1cccc(NC(=O)NC[C@@H]2CCCCC[NH2+]2)c1 ZINC000900476729 642388998 /nfs/dbraw/zinc/38/89/98/642388998.db2.gz FQVYSRLKXDRSKZ-INIZCTEOSA-N 1 3 304.438 2.402 20 0 DEADHO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900694469 642439185 /nfs/dbraw/zinc/43/91/85/642439185.db2.gz IQERZBSKKFJMLD-ZDUSSCGKSA-N 1 3 302.422 2.361 20 0 DEADHO COc1cc(OC)cc(OCCN[C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902353241 643016789 /nfs/dbraw/zinc/01/67/89/643016789.db2.gz XVCINADXHAMWOP-AWEZNQCLSA-N 1 3 322.449 2.450 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000902460250 643048192 /nfs/dbraw/zinc/04/81/92/643048192.db2.gz FVUXJKGZHTXWJU-HACGYAERSA-N 1 3 301.434 2.459 20 0 DEADHO C[C@@H](N[C@H]1C[C@H](C[NH3+])C1)c1cc(Br)ncc1F ZINC000902484168 643056892 /nfs/dbraw/zinc/05/68/92/643056892.db2.gz FBUIPZDDRNVTAY-IWSPIJDZSA-N 1 3 302.191 2.371 20 0 DEADHO COc1ccc2c(c1)C[C@H](C)C[C@H]2[NH2+]CC1(O)CCN(C)CC1 ZINC000902813824 643155426 /nfs/dbraw/zinc/15/54/26/643155426.db2.gz HYMPBDQQPVJSOF-KBXCAEBGSA-N 1 3 318.461 2.365 20 0 DEADHO CCN(CC(=O)Nc1c(F)cccc1F)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903426039 643345878 /nfs/dbraw/zinc/34/58/78/643345878.db2.gz BYZOCBRCFIWDRV-NEPJUHHUSA-N 1 3 311.376 2.353 20 0 DEADHO FC(F)(F)[C@@H]1CC[C@@H](CN2CCC([C@H]3CC[NH2+]C3)CC2)O1 ZINC000903452302 643356712 /nfs/dbraw/zinc/35/67/12/643356712.db2.gz KZAORPRAAOVLSW-IHRRRGAJSA-N 1 3 306.372 2.418 20 0 DEADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786830646 643415532 /nfs/dbraw/zinc/41/55/32/643415532.db2.gz UWRIBAWDSMUMNE-YCPHGPKFSA-N 1 3 316.449 2.350 20 0 DEADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786830646 643415536 /nfs/dbraw/zinc/41/55/36/643415536.db2.gz UWRIBAWDSMUMNE-YCPHGPKFSA-N 1 3 316.449 2.350 20 0 DEADHO CC[C@](C)(NC[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)c1nc(C)cs1 ZINC000903740126 643450694 /nfs/dbraw/zinc/45/06/94/643450694.db2.gz DWHWTBPMEDUBGZ-CWRNSKLLSA-N 1 3 309.479 2.435 20 0 DEADHO C[C@@H](C(=O)N1CCCCCC1)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000903789187 643463908 /nfs/dbraw/zinc/46/39/08/643463908.db2.gz RLQORVIPXURGKM-HNNXBMFYSA-N 1 3 309.498 2.474 20 0 DEADHO CC(C)N1CCC[C@@H](N2CCCC[C@H]2C2(C[NH3+])CCC2)C1=O ZINC000903816558 643464957 /nfs/dbraw/zinc/46/49/57/643464957.db2.gz ZFTGZSRYJMQKSC-CVEARBPZSA-N 1 3 307.482 2.369 20 0 DEADHO C[N@H+](CCc1c(F)cccc1Cl)C1(CN)CCOCC1 ZINC000903808848 643469433 /nfs/dbraw/zinc/46/94/33/643469433.db2.gz WZAYMJPMOOHNRA-UHFFFAOYSA-N 1 3 300.805 2.461 20 0 DEADHO C[N@@H+](CCc1c(F)cccc1Cl)C1(CN)CCOCC1 ZINC000903808848 643469438 /nfs/dbraw/zinc/46/94/38/643469438.db2.gz WZAYMJPMOOHNRA-UHFFFAOYSA-N 1 3 300.805 2.461 20 0 DEADHO OC[C@@]1(NCc2cccc3c2CC[NH2+]C3)CCc2ccccc21 ZINC000903902862 643502847 /nfs/dbraw/zinc/50/28/47/643502847.db2.gz OQEQNZXJUOWZFW-FQEVSTJZSA-N 1 3 308.425 2.256 20 0 DEADHO CCc1cnc(N2CCN(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)s1 ZINC000903907933 643506066 /nfs/dbraw/zinc/50/60/66/643506066.db2.gz AWYVIFBRGLYNRP-GOOCMWNKSA-N 1 3 320.506 2.358 20 0 DEADHO Cc1c(C[C@@H](CN)C[NH2+]CCCc2cccc(F)c2)cnn1C ZINC000903920299 643507643 /nfs/dbraw/zinc/50/76/43/643507643.db2.gz IEFBHRPTHULULC-INIZCTEOSA-N 1 3 318.440 2.207 20 0 DEADHO Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CNCCC2(F)F)o1 ZINC000903957060 643517689 /nfs/dbraw/zinc/51/76/89/643517689.db2.gz PIEDERIQJMQAQN-LBPRGKRZSA-N 1 3 310.348 2.313 20 0 DEADHO c1ccc2c(C[NH2+][C@@H]3CNCC4(CCOCC4)C3)ccnc2c1 ZINC000903974915 643531911 /nfs/dbraw/zinc/53/19/11/643531911.db2.gz VMEGKRZTJGVIOL-INIZCTEOSA-N 1 3 311.429 2.483 20 0 DEADHO Cc1ccc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(-c2cnn(C)c2)c1 ZINC000904420360 643669730 /nfs/dbraw/zinc/66/97/30/643669730.db2.gz LUHFJZZGPAPSGR-DOTOQJQBSA-N 1 3 310.445 2.437 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000904629057 643709613 /nfs/dbraw/zinc/70/96/13/643709613.db2.gz ZXQJXHFXSFJCMP-UHFFFAOYSA-N 1 3 304.438 2.483 20 0 DEADHO CN(C)[C@H]1CCC[C@H]([NH2+]C[C@@H](O)CCOCc2ccccc2)C1 ZINC000905157224 643801424 /nfs/dbraw/zinc/80/14/24/643801424.db2.gz YFPQVQMVQYNLHH-FHWLQOOXSA-N 1 3 320.477 2.417 20 0 DEADHO O[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)CC1(O)CCCCC1 ZINC000905156855 643801530 /nfs/dbraw/zinc/80/15/30/643801530.db2.gz VUMRGNLDXJIWAD-GOSISDBHSA-N 1 3 324.509 2.429 20 0 DEADHO Cc1cccc([C@@H](O)C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000905129175 643804849 /nfs/dbraw/zinc/80/48/49/643804849.db2.gz WZXNFHVTMMSUED-APWZRJJASA-N 1 3 318.461 2.119 20 0 DEADHO c1cn(-c2ccc(CN3CCC([C@@H]4CC[NH2+]C4)CC3)cn2)cn1 ZINC000843127106 650902051 /nfs/dbraw/zinc/90/20/51/650902051.db2.gz OLVNRNVRZOCKPN-QGZVFWFLSA-N 1 3 311.433 2.089 20 0 DEADHO Cc1ccc(N2CC[C@@H](N3CCC[C@H](CC[NH3+])C3)C2=O)cc1 ZINC000843378441 650962099 /nfs/dbraw/zinc/96/20/99/650962099.db2.gz XBIDRGVMXJMTSJ-NVXWUHKLSA-N 1 3 301.434 2.161 20 0 DEADHO C[NH+](C)[C@@H](CC(=O)N[C@@]1(C)CN2CCC1CC2)c1ccccc1 ZINC000912378567 646040085 /nfs/dbraw/zinc/04/00/85/646040085.db2.gz RZYSJSBBPVRPID-HKUYNNGSSA-N 1 3 315.461 2.280 20 0 DEADHO CC[NH+]1CCC(N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000813437478 646770744 /nfs/dbraw/zinc/77/07/44/646770744.db2.gz YAJWRBRIKRXRNT-QGZVFWFLSA-N 1 3 313.461 2.142 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]C[C@H](C)CN(C)C)C1 ZINC000813877049 646817884 /nfs/dbraw/zinc/81/78/84/646817884.db2.gz JEFBBKBEOKHRIE-YNEHKIRRSA-N 1 3 306.397 2.141 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CCN1C ZINC000914099251 647153637 /nfs/dbraw/zinc/15/36/37/647153637.db2.gz XISASYHFTLXQJY-XHSDSOJGSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CCN1C ZINC000914099251 647153640 /nfs/dbraw/zinc/15/36/40/647153640.db2.gz XISASYHFTLXQJY-XHSDSOJGSA-N 1 3 310.486 2.033 20 0 DEADHO CN1CCC[C@@H](NC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000914314967 647260467 /nfs/dbraw/zinc/26/04/67/647260467.db2.gz HKFACYAVQDWOGU-UPTPFMHGSA-N 1 3 322.497 2.177 20 0 DEADHO CCN1CCC[C@@H](NC(=O)NC2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000914316315 647261345 /nfs/dbraw/zinc/26/13/45/647261345.db2.gz PPUCLZQFUHNLQA-UPTPFMHGSA-N 1 3 322.497 2.177 20 0 DEADHO CC(C)[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]21 ZINC000992860863 647309301 /nfs/dbraw/zinc/30/93/01/647309301.db2.gz OHZJCUWXFRRNFP-OKZBNKHCSA-N 1 3 321.509 2.343 20 0 DEADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)COc1cccc(F)c1 ZINC000817892790 647374087 /nfs/dbraw/zinc/37/40/87/647374087.db2.gz CKLSXHJGIVXPTF-NRSFXHEJSA-N 1 3 322.424 2.076 20 0 DEADHO Cc1ccc(N2CCC[C@H](N[C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])C2)cc1 ZINC000817897671 647376414 /nfs/dbraw/zinc/37/64/14/647376414.db2.gz VCEUHNBCTSLUNV-UKBAYJJMSA-N 1 3 317.477 2.306 20 0 DEADHO COc1ccc([C@H](O)CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000817901540 647377258 /nfs/dbraw/zinc/37/72/58/647377258.db2.gz WTSAQBBPIANGFP-BSDSXHPESA-N 1 3 304.434 2.239 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@H](O)c1ccc2ccccc2c1 ZINC000817905449 647378519 /nfs/dbraw/zinc/37/85/19/647378519.db2.gz NJIBRNMYPSYGNR-YFYLHZKVSA-N 1 3 314.429 2.215 20 0 DEADHO O[C@]1(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCc2ccccc21 ZINC000817917660 647381416 /nfs/dbraw/zinc/38/14/16/647381416.db2.gz RHEWYUCREJJUJG-OWYHZJEWSA-N 1 3 300.446 2.331 20 0 DEADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCOC2=O)cc1 ZINC000817921658 647382423 /nfs/dbraw/zinc/38/24/23/647382423.db2.gz GBIBMMWXINGESA-HOTGVXAUSA-N 1 3 303.406 2.393 20 0 DEADHO Cc1ccc([C@@H](O)CNCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000819265414 647621348 /nfs/dbraw/zinc/62/13/48/647621348.db2.gz OUEUJKGHHRUICA-AEFFLSMTSA-N 1 3 306.450 2.119 20 0 DEADHO Cc1ccc([C@@H](O)CNCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000819265414 647621349 /nfs/dbraw/zinc/62/13/49/647621349.db2.gz OUEUJKGHHRUICA-AEFFLSMTSA-N 1 3 306.450 2.119 20 0 DEADHO CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H]1C ZINC000994481978 647967386 /nfs/dbraw/zinc/96/73/86/647967386.db2.gz CZPQHSGFUAQDCV-PBHICJAKSA-N 1 3 303.450 2.351 20 0 DEADHO CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H]1C ZINC000994481978 647967388 /nfs/dbraw/zinc/96/73/88/647967388.db2.gz CZPQHSGFUAQDCV-PBHICJAKSA-N 1 3 303.450 2.351 20 0 DEADHO CC(C)N1C[C@@H](N[C@@H](C)c2cccc(C[NH+](C)C)c2)CC1=O ZINC000925453764 648084182 /nfs/dbraw/zinc/08/41/82/648084182.db2.gz MVCMUCPQJSFFHG-YOEHRIQHSA-N 1 3 303.450 2.408 20 0 DEADHO C[NH+](C)CCCC(C)(C)NCc1cn(-c2ccccc2)nn1 ZINC000824914692 648671948 /nfs/dbraw/zinc/67/19/48/648671948.db2.gz XHLVYSIMDKPYTQ-UHFFFAOYSA-N 1 3 301.438 2.477 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CC[C@H](C[NH2+]CC2CC2)C1)N1CCCC1 ZINC000995057458 648830442 /nfs/dbraw/zinc/83/04/42/648830442.db2.gz VIHFFAVPHHVTET-JKSUJKDBSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000940917999 648970698 /nfs/dbraw/zinc/97/06/98/648970698.db2.gz HXNHONXLZOQDDE-SJORKVTESA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000940917999 648970701 /nfs/dbraw/zinc/97/07/01/648970701.db2.gz HXNHONXLZOQDDE-SJORKVTESA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000940917997 648971044 /nfs/dbraw/zinc/97/10/44/648971044.db2.gz HXNHONXLZOQDDE-IAGOWNOFSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000940917997 648971054 /nfs/dbraw/zinc/97/10/54/648971054.db2.gz HXNHONXLZOQDDE-IAGOWNOFSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C(C)(C)C1 ZINC000940945193 648975604 /nfs/dbraw/zinc/97/56/04/648975604.db2.gz YCAFBGQSRVIQPV-HNNXBMFYSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C(C)(C)C1 ZINC000940945193 648975607 /nfs/dbraw/zinc/97/56/07/648975607.db2.gz YCAFBGQSRVIQPV-HNNXBMFYSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H]1C[N@H+](CC2CC2)CC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942555720 649245900 /nfs/dbraw/zinc/24/59/00/649245900.db2.gz OWLLJAJWRQPWEX-GOEBONIOSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1C[N@@H+](CC2CC2)CC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942555720 649245903 /nfs/dbraw/zinc/24/59/03/649245903.db2.gz OWLLJAJWRQPWEX-GOEBONIOSA-N 1 3 307.482 2.097 20 0 DEADHO CN1CC[C@H](NC(=O)NCCCCCC[NH3+])[C@@H]1c1ccccc1 ZINC000831143362 649544175 /nfs/dbraw/zinc/54/41/75/649544175.db2.gz PSLGBVNXEQBUSB-IRXDYDNUSA-N 1 3 318.465 2.250 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)NCCC[NH+]2CCCC2)cc(Cl)n1 ZINC000831789895 649643246 /nfs/dbraw/zinc/64/32/46/649643246.db2.gz VOPRQJPYKOADPN-AWEZNQCLSA-N 1 3 324.856 2.035 20 0 DEADHO C[C@H]([NH2+]C1CC1)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000831827444 649647594 /nfs/dbraw/zinc/64/75/94/649647594.db2.gz MOQAVPFLVGTIRT-MAUKXSAKSA-N 1 3 315.461 2.470 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N2CCC([C@H](C)[NH3+])CC2)cc(Cl)n1 ZINC000832592588 649727577 /nfs/dbraw/zinc/72/75/77/649727577.db2.gz ZNYZXZWRHLZANY-SMDDNHRTSA-N 1 3 324.856 2.019 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000844655267 651151640 /nfs/dbraw/zinc/15/16/40/651151640.db2.gz SYSHZYPOSKUWHE-QGZVFWFLSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000844655267 651151642 /nfs/dbraw/zinc/15/16/42/651151642.db2.gz SYSHZYPOSKUWHE-QGZVFWFLSA-N 1 3 315.477 2.293 20 0 DEADHO CCc1nc(CN2CCN(CCCCCC[NH3+])CC2)cs1 ZINC000846219882 651315983 /nfs/dbraw/zinc/31/59/83/651315983.db2.gz ATZBCNQZFPSENY-UHFFFAOYSA-N 1 3 310.511 2.342 20 0 DEADHO COC1CCN(C2(CNC(=[NH2+])N(C)C3CC3)CCCC2)CC1 ZINC000849006518 651579065 /nfs/dbraw/zinc/57/90/65/651579065.db2.gz NPDNBYZCPZCYAE-UHFFFAOYSA-N 1 3 308.470 2.029 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)C/C=C/Cl)C1)N(C)C ZINC001389767321 1155421388 /nfs/dbraw/zinc/42/13/88/1155421388.db2.gz VUSAAWBMFXBSLQ-LPXAQJHASA-N 1 3 315.889 2.250 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H](C[N@@H+](C)C/C=C/Cl)C1)N(C)C ZINC001389767321 1155421393 /nfs/dbraw/zinc/42/13/93/1155421393.db2.gz VUSAAWBMFXBSLQ-LPXAQJHASA-N 1 3 315.889 2.250 20 0 DEADHO COC(=O)N(C)CCNCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000850390187 651918725 /nfs/dbraw/zinc/91/87/25/651918725.db2.gz PXPLNPZVUVUHQC-UHFFFAOYSA-N 1 3 321.465 2.432 20 0 DEADHO COC(=O)N(C)CCNCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000850390187 651918728 /nfs/dbraw/zinc/91/87/28/651918728.db2.gz PXPLNPZVUVUHQC-UHFFFAOYSA-N 1 3 321.465 2.432 20 0 DEADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc2c(c1)CCCO2 ZINC000850426843 651926636 /nfs/dbraw/zinc/92/66/36/651926636.db2.gz FZPQENQVLBTIHT-RHSMWYFYSA-N 1 3 304.434 2.119 20 0 DEADHO FC1(F)[C@@H]2CCCO[C@@]21C[NH2+]C1CCN(CC2CC2)CC1 ZINC000850534362 651948044 /nfs/dbraw/zinc/94/80/44/651948044.db2.gz MLUVIOWHZCMWBM-CABCVRRESA-N 1 3 300.393 2.265 20 0 DEADHO COC[C@@H](C)[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856600227 651955366 /nfs/dbraw/zinc/95/53/66/651955366.db2.gz RNIXKSHXUMALGV-QAPCUYQASA-N 1 3 321.465 2.410 20 0 DEADHO COC[C@@H](C)[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856600227 651955369 /nfs/dbraw/zinc/95/53/69/651955369.db2.gz RNIXKSHXUMALGV-QAPCUYQASA-N 1 3 321.465 2.410 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000851631158 652192808 /nfs/dbraw/zinc/19/28/08/652192808.db2.gz XGNJKWZJVJBGJU-UXLLHSPISA-N 1 3 301.434 2.210 20 0 DEADHO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H]2CCN(C)C(C)(C)C2)c1 ZINC000858092220 652252450 /nfs/dbraw/zinc/25/24/50/652252450.db2.gz ACILMCYRSGJKHR-CZUORRHYSA-N 1 3 322.449 2.200 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccnc(F)c2)[C@@H](C)C1 ZINC000858139345 652263716 /nfs/dbraw/zinc/26/37/16/652263716.db2.gz RTLDUAMMAUOHJM-GOEBONIOSA-N 1 3 309.429 2.447 20 0 DEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C=C1CC[NH2+]CC1 ZINC000852883079 652474758 /nfs/dbraw/zinc/47/47/58/652474758.db2.gz GITKNNMSPBHBBK-UHFFFAOYSA-N 1 3 319.424 2.026 20 0 DEADHO CC(C)CCN1CCC([NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000925488116 652652972 /nfs/dbraw/zinc/65/29/72/652652972.db2.gz BMADOBAYNSPZKI-MRXNPFEDSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC1(N)CCCC1 ZINC000854223152 652660874 /nfs/dbraw/zinc/66/08/74/652660874.db2.gz OLWSNRALILLKGR-NSHDSACASA-N 1 3 310.829 2.313 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H](C)NC/C=C\Cl)[NH+]1CCCCC1 ZINC001390538138 1155798568 /nfs/dbraw/zinc/79/85/68/1155798568.db2.gz NAFHESYNHROHKV-AZJURWTESA-N 1 3 315.889 2.344 20 0 DEADHO C[C@H](C[N@H+](C)CC1CCC1)NC(=O)C(C)(C)N1CCCCC1 ZINC001392660369 1157307814 /nfs/dbraw/zinc/30/78/14/1157307814.db2.gz SXTOKGNWTNZQMM-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](C[N@@H+](C)CC1CCC1)NC(=O)C(C)(C)N1CCCCC1 ZINC001392660369 1157307823 /nfs/dbraw/zinc/30/78/23/1157307823.db2.gz SXTOKGNWTNZQMM-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[N@H+](CC2CC(C)C2)CC1 ZINC001393604149 1157878297 /nfs/dbraw/zinc/87/82/97/1157878297.db2.gz STQXMTXDSCLEGA-OFLPRAFFSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[N@@H+](CC2CC(C)C2)CC1 ZINC001393604149 1157878301 /nfs/dbraw/zinc/87/83/01/1157878301.db2.gz STQXMTXDSCLEGA-OFLPRAFFSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CCCCC[NH3+] ZINC000389897218 685437092 /nfs/dbraw/zinc/43/70/92/685437092.db2.gz ZYQVUMHDEPPMMD-WBVHZDCISA-N 1 3 303.450 2.142 20 0 DEADHO c1ccc(CN2CCC[C@@H]2CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1 ZINC000390554468 685441180 /nfs/dbraw/zinc/44/11/80/685441180.db2.gz FZMGKWCLEKHKCM-GXUNQHPWSA-N 1 3 311.473 2.237 20 0 DEADHO CN(C)C1CC[NH+](CCC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000859073125 685648609 /nfs/dbraw/zinc/64/86/09/685648609.db2.gz CYJUKBXGKSJMNF-UHFFFAOYSA-N 1 3 311.470 2.269 20 0 DEADHO CCC[NH+]1CCC(CNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC000118883292 684074493 /nfs/dbraw/zinc/07/44/93/684074493.db2.gz IMUJJFUETHARBR-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127386105 684162968 /nfs/dbraw/zinc/16/29/68/684162968.db2.gz LRGFUWLBGDGMLR-QGZVFWFLSA-N 1 3 309.498 2.443 20 0 DEADHO C[C@@H](F)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205350 693882118 /nfs/dbraw/zinc/88/21/18/693882118.db2.gz PPEBSWRESNLJQG-PBHICJAKSA-N 1 3 322.428 2.015 20 0 DEADHO C[C@@H](F)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205350 693882122 /nfs/dbraw/zinc/88/21/22/693882122.db2.gz PPEBSWRESNLJQG-PBHICJAKSA-N 1 3 322.428 2.015 20 0 DEADHO CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205692 693882313 /nfs/dbraw/zinc/88/23/13/693882313.db2.gz VSIYRUYIJLDDJT-KRWDZBQOSA-N 1 3 304.438 2.067 20 0 DEADHO CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205692 693882316 /nfs/dbraw/zinc/88/23/16/693882316.db2.gz VSIYRUYIJLDDJT-KRWDZBQOSA-N 1 3 304.438 2.067 20 0 DEADHO CC[NH+](CC)CCOc1ccc(-c2cnn3c2CNCC3)cc1 ZINC000863691391 686554416 /nfs/dbraw/zinc/55/44/16/686554416.db2.gz CTCWTMQXXRJSHF-UHFFFAOYSA-N 1 3 314.433 2.374 20 0 DEADHO C[C@H](CNC(=[NH2+])Nc1ccc(CCO)cc1)N1CCC(C)CC1 ZINC000864456998 686727596 /nfs/dbraw/zinc/72/75/96/686727596.db2.gz OVLLCGUQFWKZEQ-OAHLLOKOSA-N 1 3 318.465 2.278 20 0 DEADHO CC(C)(C)[NH2+]CCC(=O)NCCCN1CCc2ccccc2C1 ZINC000930074991 694083850 /nfs/dbraw/zinc/08/38/50/694083850.db2.gz NWJUSPHPOYLNSP-UHFFFAOYSA-N 1 3 317.477 2.329 20 0 DEADHO CC(C)(C)OC(=O)N1CC2CC1(CNCCC[NH+]1CCCC1)C2 ZINC000865404950 687199722 /nfs/dbraw/zinc/19/97/22/687199722.db2.gz AULDPLQZUAZZBB-UHFFFAOYSA-N 1 3 323.481 2.461 20 0 DEADHO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]CCCN1CCCC1)C2 ZINC000865404950 687199725 /nfs/dbraw/zinc/19/97/25/687199725.db2.gz AULDPLQZUAZZBB-UHFFFAOYSA-N 1 3 323.481 2.461 20 0 DEADHO Cc1c(Cl)cccc1C[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000865451194 687217024 /nfs/dbraw/zinc/21/70/24/687217024.db2.gz VWNAMQDIMKLXML-HNNXBMFYSA-N 1 3 323.868 2.325 20 0 DEADHO COc1ccc(NC(=O)CC[N@@H+]2CCNCCC2(C)C)cc1 ZINC000866699714 687657747 /nfs/dbraw/zinc/65/77/47/687657747.db2.gz SUXLFMAEFXEBOC-UHFFFAOYSA-N 1 3 305.422 2.098 20 0 DEADHO COc1ccc(NC(=O)CC[N@H+]2CCNCCC2(C)C)cc1 ZINC000866699714 687657751 /nfs/dbraw/zinc/65/77/51/687657751.db2.gz SUXLFMAEFXEBOC-UHFFFAOYSA-N 1 3 305.422 2.098 20 0 DEADHO COc1ccc([C@H](CN)C[N@@H+]2CC[C@H]3CSC[C@H]3C2)cc1 ZINC000866702996 687658246 /nfs/dbraw/zinc/65/82/46/687658246.db2.gz CUHMAHMYVRBUPG-ARFHVFGLSA-N 1 3 306.475 2.422 20 0 DEADHO COc1ccc([C@H](CN)C[N@H+]2CC[C@H]3CSC[C@H]3C2)cc1 ZINC000866702996 687658248 /nfs/dbraw/zinc/65/82/48/687658248.db2.gz CUHMAHMYVRBUPG-ARFHVFGLSA-N 1 3 306.475 2.422 20 0 DEADHO CC(C)=CC[NH+]1CCC2(C[C@@H]2NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001016821338 687710777 /nfs/dbraw/zinc/71/07/77/687710777.db2.gz ZVZLGNFIGXUFBI-SJORKVTESA-N 1 3 319.493 2.265 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001016830089 687711591 /nfs/dbraw/zinc/71/15/91/687711591.db2.gz PNMPMWPOOFPWAY-RDJZCZTQSA-N 1 3 319.493 2.242 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC2(C[C@@H]2NC(=O)Cc2nc[nH]c2C)CC1 ZINC001016950789 687741718 /nfs/dbraw/zinc/74/17/18/687741718.db2.gz OMTJYPOSHYLIAP-CJNGLKHVSA-N 1 3 318.465 2.277 20 0 DEADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001017905930 687994906 /nfs/dbraw/zinc/99/49/06/687994906.db2.gz RQBKKWGHEQBEKW-IXDOHACOSA-N 1 3 309.498 2.294 20 0 DEADHO CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001018132279 688059731 /nfs/dbraw/zinc/05/97/31/688059731.db2.gz JINJMHAUDFCIKQ-HDICACEKSA-N 1 3 321.509 2.438 20 0 DEADHO CN(CC(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)C1)C1CCC1 ZINC001018971595 688264409 /nfs/dbraw/zinc/26/44/09/688264409.db2.gz JNWWHKJDGCEIKG-INIZCTEOSA-N 1 3 305.466 2.162 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1)N(C)C ZINC001019033287 688274041 /nfs/dbraw/zinc/27/40/41/688274041.db2.gz HOBAVPCLUZHIBH-XOKHGSTOSA-N 1 3 321.440 2.417 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001019381680 688343168 /nfs/dbraw/zinc/34/31/68/688343168.db2.gz PDZZBKYAVKYYRV-RDJZCZTQSA-N 1 3 319.493 2.242 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001019383055 688343343 /nfs/dbraw/zinc/34/33/43/688343343.db2.gz UKYVLUWTDCHIPO-AEFFLSMTSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2C)C1)N(C)C ZINC001019394877 688346558 /nfs/dbraw/zinc/34/65/58/688346558.db2.gz PFCHWEJOBDILFS-ROUUACIJSA-N 1 3 317.477 2.334 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000870872887 688673798 /nfs/dbraw/zinc/67/37/98/688673798.db2.gz OZVASKDIBLIWBQ-DKIMLUQUSA-N 1 3 315.461 2.456 20 0 DEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870908343 688683274 /nfs/dbraw/zinc/68/32/74/688683274.db2.gz GZOMFVVUQQKGQT-WOVMCDHWSA-N 1 3 321.440 2.233 20 0 DEADHO CN(C)C[C@H](NC(=O)CC[NH2+]CC1CC1)c1ccc(Cl)cc1 ZINC000870925419 688687910 /nfs/dbraw/zinc/68/79/10/688687910.db2.gz MBKIYNBCDVHGTA-INIZCTEOSA-N 1 3 323.868 2.449 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870926415 688688650 /nfs/dbraw/zinc/68/86/50/688688650.db2.gz CNKJLCPFIUTHKY-BGTYHANMSA-N 1 3 315.461 2.141 20 0 DEADHO CN(CCCCCC[NH3+])CC(=O)N1CCc2ccccc2C1 ZINC000872155166 688939332 /nfs/dbraw/zinc/93/93/32/688939332.db2.gz NFAPIYLSTGQLDG-UHFFFAOYSA-N 1 3 303.450 2.022 20 0 DEADHO CN(CC1CC1)C(=O)CN1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158919 688941248 /nfs/dbraw/zinc/94/12/48/688941248.db2.gz ZGUPYPHKGLXWDW-SJLPKXTDSA-N 1 3 321.509 2.474 20 0 DEADHO Cc1cccc([C@H](C)N2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001032185642 689080012 /nfs/dbraw/zinc/08/00/12/689080012.db2.gz AQXOJULCNSJWDA-YJBOKZPZSA-N 1 3 315.461 2.056 20 0 DEADHO Cc1cccc([C@H](C)N2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001032185642 689080015 /nfs/dbraw/zinc/08/00/15/689080015.db2.gz AQXOJULCNSJWDA-YJBOKZPZSA-N 1 3 315.461 2.056 20 0 DEADHO CN1CCC[C@H](NC(=O)N2CCC(C)([NH+]3CCCCC3)CC2)C1 ZINC000872926245 689121190 /nfs/dbraw/zinc/12/11/90/689121190.db2.gz CRRNVOWPOQUFRE-INIZCTEOSA-N 1 3 322.497 2.131 20 0 DEADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001032400275 689140274 /nfs/dbraw/zinc/14/02/74/689140274.db2.gz BDUFDUYYDAWJQU-YESZJQIVSA-N 1 3 307.482 2.190 20 0 DEADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001032400275 689140276 /nfs/dbraw/zinc/14/02/76/689140276.db2.gz BDUFDUYYDAWJQU-YESZJQIVSA-N 1 3 307.482 2.190 20 0 DEADHO [NH3+][C@@H]1C[C@H]1c1ccc(NCc2nc3c(s2)CNCC3)cc1 ZINC000873215416 689186328 /nfs/dbraw/zinc/18/63/28/689186328.db2.gz YHHJNXOEDDTGPP-QWHCGFSZSA-N 1 3 300.431 2.216 20 0 DEADHO COC[C@H](CCC[NH3+])NCc1ccc(OC(F)F)cc1F ZINC000873251105 689194253 /nfs/dbraw/zinc/19/42/53/689194253.db2.gz IZYMJAPYKLHZSG-NSHDSACASA-N 1 3 306.328 2.271 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC(C)(C)C1 ZINC001032626913 689205344 /nfs/dbraw/zinc/20/53/44/689205344.db2.gz OPQYMEWWVFJOFX-XIRDDKMYSA-N 1 3 319.493 2.192 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CC(C)(C)C1 ZINC001032626913 689205346 /nfs/dbraw/zinc/20/53/46/689205346.db2.gz OPQYMEWWVFJOFX-XIRDDKMYSA-N 1 3 319.493 2.192 20 0 DEADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001032803779 689265501 /nfs/dbraw/zinc/26/55/01/689265501.db2.gz LJAMPXGOXMJXCG-BZSNNMDCSA-N 1 3 321.509 2.438 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001033125709 689398390 /nfs/dbraw/zinc/39/83/90/689398390.db2.gz HDDCJHGTONUAGQ-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001033125709 689398392 /nfs/dbraw/zinc/39/83/92/689398392.db2.gz HDDCJHGTONUAGQ-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO O=C(N[C@H]1CCCC[N@H+](CC2CC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001034332350 689812365 /nfs/dbraw/zinc/81/23/65/689812365.db2.gz XXSACLSYZVVGHF-ZWKOTPCHSA-N 1 3 319.493 2.242 20 0 DEADHO O=C(N[C@H]1CCCC[N@@H+](CC2CC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001034332350 689812367 /nfs/dbraw/zinc/81/23/67/689812367.db2.gz XXSACLSYZVVGHF-ZWKOTPCHSA-N 1 3 319.493 2.242 20 0 DEADHO CN(C)CCN(C(=O)[C@]12CCC[C@H]1[NH2+]CC2)c1ccccc1 ZINC000876739501 689923033 /nfs/dbraw/zinc/92/30/33/689923033.db2.gz HBIFXGQVDZFVAM-AEFFLSMTSA-N 1 3 301.434 2.113 20 0 DEADHO CCN1CC[C@H]([N@H+](C)Cc2cnc3c(cnn3C)c2)C[C@H]1C ZINC000876757358 689927591 /nfs/dbraw/zinc/92/75/91/689927591.db2.gz CGJDXOZNPHETCF-CJNGLKHVSA-N 1 3 301.438 2.273 20 0 DEADHO CCN1CC[C@H]([N@@H+](C)Cc2cnc3c(cnn3C)c2)C[C@H]1C ZINC000876757358 689927594 /nfs/dbraw/zinc/92/75/94/689927594.db2.gz CGJDXOZNPHETCF-CJNGLKHVSA-N 1 3 301.438 2.273 20 0 DEADHO CN(C)C[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1(C)C)c1ccc(Cl)cc1 ZINC000876881552 689962878 /nfs/dbraw/zinc/96/28/78/689962878.db2.gz JRRKMYXMVBNPDJ-ILXRZTDVSA-N 1 3 323.868 2.432 20 0 DEADHO CC(C)(CNC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Oc1ccccc1 ZINC000877022980 689999819 /nfs/dbraw/zinc/99/98/19/689999819.db2.gz ZDQFFIRRJYRFSC-WBVHZDCISA-N 1 3 304.434 2.297 20 0 DEADHO CC(C)(CNC[C@H]1C[N@H+]2CCC[C@@H]2CO1)Oc1ccccc1 ZINC000877022980 689999822 /nfs/dbraw/zinc/99/98/22/689999822.db2.gz ZDQFFIRRJYRFSC-WBVHZDCISA-N 1 3 304.434 2.297 20 0 DEADHO CC[NH2+][C@H](C)C(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21 ZINC000877031594 690001725 /nfs/dbraw/zinc/00/17/25/690001725.db2.gz YUXFIWFJAYKGPC-FRFSOERESA-N 1 3 301.434 2.127 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CC1([NH3+])CCC1 ZINC000877032489 690002819 /nfs/dbraw/zinc/00/28/19/690002819.db2.gz LJMYBRNCPQCWQE-NVXWUHKLSA-N 1 3 313.445 2.401 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC2(CC[N@H+](CCC3CC3)C2)CC1 ZINC001035166625 690045633 /nfs/dbraw/zinc/04/56/33/690045633.db2.gz RTVWGDOIHLCQEV-QGZVFWFLSA-N 1 3 319.493 2.195 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](CCC3CC3)C2)CC1 ZINC001035166625 690045635 /nfs/dbraw/zinc/04/56/35/690045635.db2.gz RTVWGDOIHLCQEV-QGZVFWFLSA-N 1 3 319.493 2.195 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)NC2(C[NH3+])CCCCC2)cc(Cl)n1 ZINC000877205870 690045750 /nfs/dbraw/zinc/04/57/50/690045750.db2.gz XFPNYTURCHOVDO-ZDUSSCGKSA-N 1 3 324.856 2.211 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@H]3CC=CCC3)CC2)CC1 ZINC000931217195 694342345 /nfs/dbraw/zinc/34/23/45/694342345.db2.gz NZLUTNAEPAGPQB-INIZCTEOSA-N 1 3 319.493 2.408 20 0 DEADHO O=C(N[C@@]12CCC[C@H]1[NH2+]CC2)c1cccc(CN2CCCC2)c1 ZINC000877392846 690099173 /nfs/dbraw/zinc/09/91/73/690099173.db2.gz USHQWPZFUDYVGM-IEBWSBKVSA-N 1 3 313.445 2.297 20 0 DEADHO CCOP(=O)(CCCN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)OCC ZINC000877482803 690126874 /nfs/dbraw/zinc/12/68/74/690126874.db2.gz HZWXORDUMQITKJ-OKILXGFUSA-N 1 3 304.371 2.136 20 0 DEADHO CCOP(=O)(CCCN1C[C@@H]2C[N@H+](C)C[C@@H]2C1)OCC ZINC000877482803 690126875 /nfs/dbraw/zinc/12/68/75/690126875.db2.gz HZWXORDUMQITKJ-OKILXGFUSA-N 1 3 304.371 2.136 20 0 DEADHO CC(C)(O)C[NH+]1CCC(NCC[C@](C)(O)c2ccccc2)CC1 ZINC000877440836 690113727 /nfs/dbraw/zinc/11/37/27/690113727.db2.gz NACNTUKBGMXOHI-IBGZPJMESA-N 1 3 320.477 2.109 20 0 DEADHO CSC1(CNCc2ccc(Cl)nn2)CC[NH+](C)CC1 ZINC000877539816 690145532 /nfs/dbraw/zinc/14/55/32/690145532.db2.gz TWIGZHVARBTAGB-UHFFFAOYSA-N 1 3 300.859 2.047 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC2(C[NH+](CCC3CC3)C2)CC1)N(C)C ZINC001035727378 690162186 /nfs/dbraw/zinc/16/21/86/690162186.db2.gz TZJLSVZUTQLQCO-KRWDZBQOSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)CN1CCC[C@H]1C)CC2 ZINC001035797752 690179079 /nfs/dbraw/zinc/17/90/79/690179079.db2.gz HZMXTNWSYHWCTJ-IAGOWNOFSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001035850708 690193527 /nfs/dbraw/zinc/19/35/27/690193527.db2.gz BMQUFYPWNFFSQV-INIZCTEOSA-N 1 3 307.482 2.053 20 0 DEADHO CN1CCN(C2CC[NH+](CCc3ccccc3F)CC2)CC1 ZINC000877746611 690213967 /nfs/dbraw/zinc/21/39/67/690213967.db2.gz TXMICXFSHATEIP-UHFFFAOYSA-N 1 3 305.441 2.080 20 0 DEADHO CCCn1cc(CN(CC(C)C)CC2CC[NH+](C)CC2)nn1 ZINC000877767243 690220187 /nfs/dbraw/zinc/22/01/87/690220187.db2.gz DGRHMXSZQFFCKN-UHFFFAOYSA-N 1 3 307.486 2.488 20 0 DEADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@H]1[NH2+]CCF ZINC001036302616 690315456 /nfs/dbraw/zinc/31/54/56/690315456.db2.gz JSZYKPPSFKOORI-RHSMWYFYSA-N 1 3 321.440 2.158 20 0 DEADHO CN1CCCC[C@H]1CC[N@H+](C)C[C@H](O)CC1(CO)CCCC1 ZINC000878136416 690322177 /nfs/dbraw/zinc/32/21/77/690322177.db2.gz YCXVBHAHWYFKQQ-DLBZAZTESA-N 1 3 312.498 2.096 20 0 DEADHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@H](O)CC1(CO)CCCC1 ZINC000878136416 690322178 /nfs/dbraw/zinc/32/21/78/690322178.db2.gz YCXVBHAHWYFKQQ-DLBZAZTESA-N 1 3 312.498 2.096 20 0 DEADHO C[C@@H]([NH2+]CC1CC1)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001036413429 690345217 /nfs/dbraw/zinc/34/52/17/690345217.db2.gz OBEXSPXNPAAANY-GDBMZVCRSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]([NH2+]CC1CC1)[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001036449723 690353047 /nfs/dbraw/zinc/35/30/47/690353047.db2.gz GXECHYSRKGEDSA-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H]2CCC3(CCOCC3)O2)[C@@H](C)C1 ZINC000878256372 690359925 /nfs/dbraw/zinc/35/99/25/690359925.db2.gz CJHODIRVXSSPHO-ULQDDVLXSA-N 1 3 310.482 2.377 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C[C@@H]2CCC3(CCOCC3)O2)[C@@H](C)C1 ZINC000878256372 690359928 /nfs/dbraw/zinc/35/99/28/690359928.db2.gz CJHODIRVXSSPHO-ULQDDVLXSA-N 1 3 310.482 2.377 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC1CC1)N1CCCC1 ZINC001037056894 690562298 /nfs/dbraw/zinc/56/22/98/690562298.db2.gz NHUMNGVCPQMASS-JKSUJKDBSA-N 1 3 307.482 2.145 20 0 DEADHO C[NH+]1CCC2(CCN(CC(=O)N3CCCCCC3)CC2)CC1 ZINC000879247559 690602739 /nfs/dbraw/zinc/60/27/39/690602739.db2.gz VEBGHEWGGTWSDO-UHFFFAOYSA-N 1 3 307.482 2.197 20 0 DEADHO CCC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@H]1CC ZINC001037949522 690647197 /nfs/dbraw/zinc/64/71/97/690647197.db2.gz MPBPKGBFBSWDIC-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CCC(CC)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001038238836 690752322 /nfs/dbraw/zinc/75/23/22/690752322.db2.gz IUBKGZZUHGBQCJ-SJORKVTESA-N 1 3 309.498 2.486 20 0 DEADHO CCC(CC)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001038238836 690752327 /nfs/dbraw/zinc/75/23/27/690752327.db2.gz IUBKGZZUHGBQCJ-SJORKVTESA-N 1 3 309.498 2.486 20 0 DEADHO COc1ccc(COCCN2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)cc1 ZINC000931440618 694396181 /nfs/dbraw/zinc/39/61/81/694396181.db2.gz YPHJHLBUBMALHV-DLBZAZTESA-N 1 3 304.434 2.095 20 0 DEADHO COc1ccc(COCCN2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)cc1 ZINC000931440618 694396186 /nfs/dbraw/zinc/39/61/86/694396186.db2.gz YPHJHLBUBMALHV-DLBZAZTESA-N 1 3 304.434 2.095 20 0 DEADHO O=C(NC[C@H]1CCN1CC1CCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001038353404 690793283 /nfs/dbraw/zinc/79/32/83/690793283.db2.gz NBKMEBRTCCHAPZ-QZTJIDSGSA-N 1 3 319.493 2.384 20 0 DEADHO O=C(NC[C@H]1CCN1CC1CCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001038353404 690793286 /nfs/dbraw/zinc/79/32/86/690793286.db2.gz NBKMEBRTCCHAPZ-QZTJIDSGSA-N 1 3 319.493 2.384 20 0 DEADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCN2CCCC2CCC2)CC[N@@H+]1C ZINC001038629626 690881267 /nfs/dbraw/zinc/88/12/67/690881267.db2.gz JFRWXLZTFQHGMN-RYQLBKOJSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCN2CCCC2CCC2)CC[N@H+]1C ZINC001038629626 690881269 /nfs/dbraw/zinc/88/12/69/690881269.db2.gz JFRWXLZTFQHGMN-RYQLBKOJSA-N 1 3 321.509 2.488 20 0 DEADHO C[NH+](C)CCc1ccc(C(=O)NC[C@@H]2CCN2CC2CC2)cc1 ZINC001038705041 690901814 /nfs/dbraw/zinc/90/18/14/690901814.db2.gz OJOIEKBOWYHTPV-SFHVURJKSA-N 1 3 315.461 2.005 20 0 DEADHO CC[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)[C@@H]1CCCOC1 ZINC000880471853 690906403 /nfs/dbraw/zinc/90/64/03/690906403.db2.gz WNKCHIHZGRNIMX-QZTJIDSGSA-N 1 3 311.514 2.197 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCN2CC2CCC2)CC1 ZINC001038867836 690949628 /nfs/dbraw/zinc/94/96/28/690949628.db2.gz BBNHRNNEWCXTGD-KRWDZBQOSA-N 1 3 307.482 2.097 20 0 DEADHO CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001039133988 691029975 /nfs/dbraw/zinc/02/99/75/691029975.db2.gz NJHPROLEZGFFSE-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@H+]1CC[C@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001039133988 691029978 /nfs/dbraw/zinc/02/99/78/691029978.db2.gz NJHPROLEZGFFSE-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)N1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001039399898 691097489 /nfs/dbraw/zinc/09/74/89/691097489.db2.gz ZTAGXOWBJMGJTR-CVEARBPZSA-N 1 3 305.466 2.089 20 0 DEADHO COc1cccc(CN2CCC([NH+]3CCN(C)CC3)CC2)c1C ZINC000931549547 694425864 /nfs/dbraw/zinc/42/58/64/694425864.db2.gz PXIRRYHCZFPVHT-UHFFFAOYSA-N 1 3 317.477 2.215 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001040397002 691242561 /nfs/dbraw/zinc/24/25/61/691242561.db2.gz XNTRUFVEJSQIPQ-PKOBYXMFSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001040397002 691242564 /nfs/dbraw/zinc/24/25/64/691242564.db2.gz XNTRUFVEJSQIPQ-PKOBYXMFSA-N 1 3 321.509 2.441 20 0 DEADHO CN(CC(=O)N1CC[C@@]2(CC[N@H+](CC3CCC3)C2)C1)C1CCC1 ZINC001041359848 691367201 /nfs/dbraw/zinc/36/72/01/691367201.db2.gz VOUCYOJPXBYPNQ-LJQANCHMSA-N 1 3 319.493 2.195 20 0 DEADHO CN(CC(=O)N1CC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1)C1CCC1 ZINC001041359848 691367205 /nfs/dbraw/zinc/36/72/05/691367205.db2.gz VOUCYOJPXBYPNQ-LJQANCHMSA-N 1 3 319.493 2.195 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041359974 691367294 /nfs/dbraw/zinc/36/72/94/691367294.db2.gz WJBVIBGBQALPSN-LJQANCHMSA-N 1 3 319.493 2.361 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041359974 691367295 /nfs/dbraw/zinc/36/72/95/691367295.db2.gz WJBVIBGBQALPSN-LJQANCHMSA-N 1 3 319.493 2.361 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CC=C(C)C)C2)C1)N(C)C ZINC001041684194 691410184 /nfs/dbraw/zinc/41/01/84/691410184.db2.gz BJHLKGCYWVBZSE-FUHWJXTLSA-N 1 3 307.482 2.217 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC=C(C)C)C2)C1)N(C)C ZINC001041684194 691410188 /nfs/dbraw/zinc/41/01/88/691410188.db2.gz BJHLKGCYWVBZSE-FUHWJXTLSA-N 1 3 307.482 2.217 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@H]21 ZINC001042311827 691565989 /nfs/dbraw/zinc/56/59/89/691565989.db2.gz ANRHATOJVMZZAF-HUUCEWRRSA-N 1 3 318.465 2.410 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@H]21 ZINC001042311827 691565992 /nfs/dbraw/zinc/56/59/92/691565992.db2.gz ANRHATOJVMZZAF-HUUCEWRRSA-N 1 3 318.465 2.410 20 0 DEADHO [NH3+][C@@H](CC1CC1)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000884178913 691675656 /nfs/dbraw/zinc/67/56/56/691675656.db2.gz YKUYHUDBNPSMSK-UONOGXRCSA-N 1 3 307.463 2.129 20 0 DEADHO CC(C)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H](C)C1 ZINC001044795027 691888460 /nfs/dbraw/zinc/88/84/60/691888460.db2.gz ZCYBTHBOLWYSEN-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC001044958643 691919980 /nfs/dbraw/zinc/91/99/80/691919980.db2.gz PWLKYVOICGNEDG-DLBZAZTESA-N 1 3 319.424 2.001 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001045205561 691951298 /nfs/dbraw/zinc/95/12/98/691951298.db2.gz PKIAFKQABYGDIY-ROUUACIJSA-N 1 3 317.477 2.416 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]1C[NH2+]CC1CCCC1 ZINC001045200480 691951448 /nfs/dbraw/zinc/95/14/48/691951448.db2.gz ZYSFSYQMSQOWGM-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001045218957 691953078 /nfs/dbraw/zinc/95/30/78/691953078.db2.gz DVUIADVENPXFHF-INIZCTEOSA-N 1 3 316.449 2.113 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC1(C)CC[NH+](CCCF)CC1 ZINC001045437983 691980913 /nfs/dbraw/zinc/98/09/13/691980913.db2.gz IADBIZCKQIAUIX-OAHLLOKOSA-N 1 3 313.461 2.190 20 0 DEADHO CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001045944200 692059013 /nfs/dbraw/zinc/05/90/13/692059013.db2.gz ZNMSTCXTZMOQFB-SJLPKXTDSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001045944200 692059016 /nfs/dbraw/zinc/05/90/16/692059016.db2.gz ZNMSTCXTZMOQFB-SJLPKXTDSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1OC[C@]2(CC[C@H](CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)O2)[C@H]1C ZINC000886335693 692060428 /nfs/dbraw/zinc/06/04/28/692060428.db2.gz GNUQPWOLXFFDKN-DWMDIXPDSA-N 1 3 308.466 2.175 20 0 DEADHO C[C@@H]1OC[C@]2(CC[C@H](CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)O2)[C@H]1C ZINC000886335693 692060431 /nfs/dbraw/zinc/06/04/31/692060431.db2.gz GNUQPWOLXFFDKN-DWMDIXPDSA-N 1 3 308.466 2.175 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@@]2(CC[N@H+](CC3CC3)C2)C1)N(C)C ZINC001045967070 692064322 /nfs/dbraw/zinc/06/43/22/692064322.db2.gz MHLKUBWYYFETHN-HKUYNNGSSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@@]2(CC[N@@H+](CC3CC3)C2)C1)N(C)C ZINC001045967070 692064325 /nfs/dbraw/zinc/06/43/25/692064325.db2.gz MHLKUBWYYFETHN-HKUYNNGSSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1CCC(=O)NC1CCCC1 ZINC000887130780 692285976 /nfs/dbraw/zinc/28/59/76/692285976.db2.gz KPQWLBDPTOEWHB-OAHLLOKOSA-N 1 3 316.449 2.041 20 0 DEADHO CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)CC1 ZINC001047244866 692402055 /nfs/dbraw/zinc/40/20/55/692402055.db2.gz VUDKPANPRCOPTB-MSOLQXFVSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C[NH2+]CC1CC1 ZINC001048256647 692584631 /nfs/dbraw/zinc/58/46/31/692584631.db2.gz PDKGNDFHWJQVOB-WBVHZDCISA-N 1 3 321.509 2.345 20 0 DEADHO CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001050158645 693125189 /nfs/dbraw/zinc/12/51/89/693125189.db2.gz UKEFCZDPBMKAGV-YESZJQIVSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001050158645 693125191 /nfs/dbraw/zinc/12/51/91/693125191.db2.gz UKEFCZDPBMKAGV-YESZJQIVSA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CC[C@H](C[NH2+][C@@H](C)[C@H](NC(C)=O)c2ccccc2F)C1 ZINC000924708418 693174869 /nfs/dbraw/zinc/17/48/69/693174869.db2.gz YEXMVXGXUJMFNR-JOQOYGCGSA-N 1 3 321.440 2.323 20 0 DEADHO CC(C)CC[NH+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001050545827 693204712 /nfs/dbraw/zinc/20/47/12/693204712.db2.gz HGOBXDUXLLYDKQ-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CC[NH+](CC=C(C)C)CC2)N(C)C ZINC001050561683 693206934 /nfs/dbraw/zinc/20/69/34/693206934.db2.gz AMZOWSFNSHNZGT-MRXNPFEDSA-N 1 3 307.482 2.217 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001050663388 693227299 /nfs/dbraw/zinc/22/72/99/693227299.db2.gz SLJOVJLVXPEASW-SJORKVTESA-N 1 3 321.509 2.441 20 0 DEADHO CCC[NH+]1CCC2(CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001050765883 693247098 /nfs/dbraw/zinc/24/70/98/693247098.db2.gz FYXSJNQSHMVECU-IYBDPMFKSA-N 1 3 307.482 2.194 20 0 DEADHO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000925316881 693255647 /nfs/dbraw/zinc/25/56/47/693255647.db2.gz IZRLLDRSJSSKRT-CVEARBPZSA-N 1 3 312.502 2.088 20 0 DEADHO C(C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1)COC[C@@H]1CCOC1 ZINC000925523889 693288282 /nfs/dbraw/zinc/28/82/82/693288282.db2.gz VXWFAVGQNJTBDK-RYQLBKOJSA-N 1 3 310.482 2.188 20 0 DEADHO CC1(C)C[C@H]([NH3+])C[C@@H](NCc2ccccc2Cn2cncn2)C1 ZINC000925533211 693290743 /nfs/dbraw/zinc/29/07/43/693290743.db2.gz YWMLJYUDJUQHLA-IAGOWNOFSA-N 1 3 313.449 2.322 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@@H]1COc2ccccc2O1 ZINC000925538672 693292203 /nfs/dbraw/zinc/29/22/03/693292203.db2.gz CYPONXJQLHKNSO-CJPRYEIISA-N 1 3 302.418 2.146 20 0 DEADHO C[C@H]1[NH2+]CCC[C@@H]1NCCCC(=O)N1Cc2ccccc2C1 ZINC000925599413 693306927 /nfs/dbraw/zinc/30/69/27/693306927.db2.gz YWYRMSODDXWLSY-PBHICJAKSA-N 1 3 301.434 2.039 20 0 DEADHO OC1(C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)Cc2ccccc2C1 ZINC000925610746 693308618 /nfs/dbraw/zinc/30/86/18/693308618.db2.gz HNGWKMLGXAFMIO-OALUTQOASA-N 1 3 314.473 2.274 20 0 DEADHO OC1(CN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)Cc2ccccc2C1 ZINC000925610746 693308622 /nfs/dbraw/zinc/30/86/22/693308622.db2.gz HNGWKMLGXAFMIO-OALUTQOASA-N 1 3 314.473 2.274 20 0 DEADHO OCc1ccc(CC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)cc1 ZINC000925632528 693312695 /nfs/dbraw/zinc/31/26/95/693312695.db2.gz AGNPEZQGEXRRMB-MOPGFXCFSA-N 1 3 302.462 2.479 20 0 DEADHO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)C12CCOCC2 ZINC000925642502 693315273 /nfs/dbraw/zinc/31/52/73/693315273.db2.gz UEKJBMJMYOPRLT-OVYGPGRDSA-N 1 3 322.493 2.327 20 0 DEADHO FC(F)CN1CCC[C@@H]1CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925722168 693330021 /nfs/dbraw/zinc/33/00/21/693330021.db2.gz HDOJHYDFWYAYEX-PMPSAXMXSA-N 1 3 315.452 2.474 20 0 DEADHO FC(F)CN1CCC[C@@H]1C[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925722168 693330025 /nfs/dbraw/zinc/33/00/25/693330025.db2.gz HDOJHYDFWYAYEX-PMPSAXMXSA-N 1 3 315.452 2.474 20 0 DEADHO [NH3+]C1CCN(CCN[C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000925816000 693346558 /nfs/dbraw/zinc/34/65/58/693346558.db2.gz BWIMWDJDWMODQB-ZDUSSCGKSA-N 1 3 313.367 2.104 20 0 DEADHO C[C@H](NC[C@]12CCC[C@H]1[NH2+]CC2)c1cccc(-n2ccnn2)c1 ZINC000925842232 693351515 /nfs/dbraw/zinc/35/15/15/693351515.db2.gz YYZFKAXOVUGOSO-BMGDILEWSA-N 1 3 311.433 2.450 20 0 DEADHO CCC[C@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccnc1 ZINC000925853114 693354106 /nfs/dbraw/zinc/35/41/06/693354106.db2.gz YRLRLZFZINOIBJ-HOTGVXAUSA-N 1 3 317.433 2.198 20 0 DEADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(N2CCOC2=O)cc1 ZINC000926127678 693400891 /nfs/dbraw/zinc/40/08/91/693400891.db2.gz YOKKVWJSYJSKCM-FKEKPDDDSA-N 1 3 315.417 2.073 20 0 DEADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(N2CCOC2=O)cc1 ZINC000926127678 693400895 /nfs/dbraw/zinc/40/08/95/693400895.db2.gz YOKKVWJSYJSKCM-FKEKPDDDSA-N 1 3 315.417 2.073 20 0 DEADHO CCC[NH+]1CCC(NC[C@@H]2CCCN2CC(F)(F)F)CC1 ZINC000926926776 693530080 /nfs/dbraw/zinc/53/00/80/693530080.db2.gz QPAAKOVJOXJWSV-AWEZNQCLSA-N 1 3 307.404 2.477 20 0 DEADHO CC(C)CCN1CCC([NH2+][C@@H]2C[C@H](O)C23CCOCC3)CC1 ZINC000927151362 693561385 /nfs/dbraw/zinc/56/13/85/693561385.db2.gz AKLUFYGKFAMJRX-SJORKVTESA-N 1 3 310.482 2.017 20 0 DEADHO C[NH+]1CCC(C(=O)N[C@H]2CCCN(C/C=C/Cl)CC2)CC1 ZINC001052680181 693594143 /nfs/dbraw/zinc/59/41/43/693594143.db2.gz HDNCJBYYPJDLDR-GZTQLTBSSA-N 1 3 313.873 2.051 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[N@@H+](CCC(C)C)CC1 ZINC001052898861 693644349 /nfs/dbraw/zinc/64/43/49/693644349.db2.gz IZLMTPYMPVTOND-OAHLLOKOSA-N 1 3 306.454 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[N@H+](CCC(C)C)CC1 ZINC001052898861 693644352 /nfs/dbraw/zinc/64/43/52/693644352.db2.gz IZLMTPYMPVTOND-OAHLLOKOSA-N 1 3 306.454 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000928010249 693700295 /nfs/dbraw/zinc/70/02/95/693700295.db2.gz XGJDDTKUWMXWOA-UHFFFAOYSA-N 1 3 304.438 2.174 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC2(C[C@@H]2NC(=O)CN(C)C(C)C)CC1 ZINC001402226709 1162297741 /nfs/dbraw/zinc/29/77/41/1162297741.db2.gz BYIOBCHWPJPHMV-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1 ZINC001402407625 1162346822 /nfs/dbraw/zinc/34/68/22/1162346822.db2.gz HTPBWLGNUXZYGK-QAQDUYKDSA-N 1 3 309.498 2.249 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]C[C@H](O)CC2CCCC2)C[C@H](C)O1 ZINC001346192934 1150949993 /nfs/dbraw/zinc/94/99/93/1150949993.db2.gz YONRILBWLNVOHL-SOLBZPMBSA-N 1 3 312.498 2.407 20 0 DEADHO Cc1ccccc1C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001402640016 1162422869 /nfs/dbraw/zinc/42/28/69/1162422869.db2.gz SFIYGNJNPPBOGG-SFHVURJKSA-N 1 3 317.477 2.370 20 0 DEADHO Cc1ccccc1C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001402640016 1162422871 /nfs/dbraw/zinc/42/28/71/1162422871.db2.gz SFIYGNJNPPBOGG-SFHVURJKSA-N 1 3 317.477 2.370 20 0 DEADHO C[C@H]1[C@H](NCCF)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001379555652 1152641856 /nfs/dbraw/zinc/64/18/56/1152641856.db2.gz PNCWXEWEJLUCPO-GOEBONIOSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H]1[C@H](NCCF)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001379555652 1152641853 /nfs/dbraw/zinc/64/18/53/1152641853.db2.gz PNCWXEWEJLUCPO-GOEBONIOSA-N 1 3 313.461 2.190 20 0 DEADHO CN(C)CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CCCC1 ZINC001361927926 1152777903 /nfs/dbraw/zinc/77/79/03/1152777903.db2.gz JUHSRQGKFBJEEF-NVXWUHKLSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC(C)([NH2+]C/C=C/Cl)CC1)N(C)C ZINC001381128712 1152919556 /nfs/dbraw/zinc/91/95/56/1152919556.db2.gz SPPLMRBLQPGATG-VIIAAUOXSA-N 1 3 315.889 2.296 20 0 DEADHO C[C@@H](CNC(=O)CC[NH+](C)C)N(C)[C@H]1CCc2c1cccc2F ZINC001381572932 1153134490 /nfs/dbraw/zinc/13/44/90/1153134490.db2.gz ZZQPBYLJHQDHIQ-GUYCJALGSA-N 1 3 321.440 2.201 20 0 DEADHO CCN1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC001362980061 1153170755 /nfs/dbraw/zinc/17/07/55/1153170755.db2.gz VDDUUXXSVNIFCK-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO Cc1cc(CN2CC([C@H](C)NC(=O)CC[NH+](C)C)C2)c(C)s1 ZINC001381800710 1153229264 /nfs/dbraw/zinc/22/92/64/1153229264.db2.gz DWCJVSIHIPPXJK-ZDUSSCGKSA-N 1 3 323.506 2.253 20 0 DEADHO Cc1cccc(C[NH+]2CC([C@H](C)NC(=O)CN(C)C(C)C)C2)c1 ZINC001381832200 1153242721 /nfs/dbraw/zinc/24/27/21/1153242721.db2.gz VQCQSLIBRFRCAL-INIZCTEOSA-N 1 3 317.477 2.272 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001381906231 1153270351 /nfs/dbraw/zinc/27/03/51/1153270351.db2.gz RMWRAUXYDYYJLY-TVFCKZIOSA-N 1 3 321.509 2.201 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001381906231 1153270353 /nfs/dbraw/zinc/27/03/53/1153270353.db2.gz RMWRAUXYDYYJLY-TVFCKZIOSA-N 1 3 321.509 2.201 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccsn3)CC2)CC1 ZINC001363216891 1153273544 /nfs/dbraw/zinc/27/35/44/1153273544.db2.gz JAGZHEQJPRCSQO-UHFFFAOYSA-N 1 3 322.478 2.278 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]21 ZINC001381916844 1153273789 /nfs/dbraw/zinc/27/37/89/1153273789.db2.gz BCAXBTFAQRUQAM-OSYLJGHBSA-N 1 3 321.509 2.058 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]21 ZINC001381916844 1153273790 /nfs/dbraw/zinc/27/37/90/1153273790.db2.gz BCAXBTFAQRUQAM-OSYLJGHBSA-N 1 3 321.509 2.058 20 0 DEADHO C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)NCc1ccccc1F ZINC001382116184 1153363303 /nfs/dbraw/zinc/36/33/03/1153363303.db2.gz FYPHOFXNHKQHQX-AWEZNQCLSA-N 1 3 321.440 2.104 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC001382335270 1153427575 /nfs/dbraw/zinc/42/75/75/1153427575.db2.gz ACRIROWKYGZMAK-MSOLQXFVSA-N 1 3 317.477 2.403 20 0 DEADHO CC(C)CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)CC1(C)C ZINC001382368869 1153437826 /nfs/dbraw/zinc/43/78/26/1153437826.db2.gz MKVKUQZAORHKBB-HZPDHXFCSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001389526194 1155361723 /nfs/dbraw/zinc/36/17/23/1155361723.db2.gz JEDRKHUVJUUFTH-QGZVFWFLSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[NH2+][C@@H](CNC(=O)c1cccc(CN(C)C)c1)C1CC1 ZINC001389679992 1155394565 /nfs/dbraw/zinc/39/45/65/1155394565.db2.gz AHSKBJCIMLLQES-KRWDZBQOSA-N 1 3 303.450 2.255 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1)C1CC1)N(C)C ZINC001389684394 1155395236 /nfs/dbraw/zinc/39/52/36/1155395236.db2.gz FKJNPRRNNABAGY-QZTJIDSGSA-N 1 3 317.477 2.257 20 0 DEADHO CN(CCF)C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001389745528 1155412791 /nfs/dbraw/zinc/41/27/91/1155412791.db2.gz OREUJYJDAMBSIO-INIZCTEOSA-N 1 3 313.461 2.002 20 0 DEADHO CC(C)CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001389757118 1155417933 /nfs/dbraw/zinc/41/79/33/1155417933.db2.gz GCJZNUYVVVSRTQ-KURKYZTESA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001389757118 1155417935 /nfs/dbraw/zinc/41/79/35/1155417935.db2.gz GCJZNUYVVVSRTQ-KURKYZTESA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001389908892 1155468989 /nfs/dbraw/zinc/46/89/89/1155468989.db2.gz QQPQJBXUBCGEGF-BRWVUGGUSA-N 1 3 321.440 2.347 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001403105139 1162717608 /nfs/dbraw/zinc/71/76/08/1162717608.db2.gz PHMLBQWXWRSECE-CYBMUJFWSA-N 1 3 311.857 2.276 20 0 DEADHO C[C@H](CNC(=O)CC[NH+](C)C)N[C@H](C)c1ccc(F)c(F)c1 ZINC001390468978 1155740760 /nfs/dbraw/zinc/74/07/60/1155740760.db2.gz POWDPEARXMYGJN-VXGBXAGGSA-N 1 3 313.392 2.072 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001371211539 1155788306 /nfs/dbraw/zinc/78/83/06/1155788306.db2.gz JGCLJNUSVMWHDA-PBHICJAKSA-N 1 3 323.456 2.337 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001390620606 1155816361 /nfs/dbraw/zinc/81/63/61/1155816361.db2.gz VHYHZOYGFLWMNR-QNTSXVQBSA-N 1 3 310.829 2.030 20 0 DEADHO C[C@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)NC/C=C/Cl ZINC001371360270 1155833124 /nfs/dbraw/zinc/83/31/24/1155833124.db2.gz CGBYENOZJZBTAK-LZTOIUFZSA-N 1 3 323.868 2.251 20 0 DEADHO C[C@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccsc1 ZINC001371836392 1156037506 /nfs/dbraw/zinc/03/75/06/1156037506.db2.gz NKONBBUIUJSGHV-UONOGXRCSA-N 1 3 309.479 2.074 20 0 DEADHO Cn1cc(CNC2CCN(c3cc[nH+]cc3)CC2)c(Cl)n1 ZINC001414114416 1156167352 /nfs/dbraw/zinc/16/73/52/1156167352.db2.gz BOOPDQFUKFTDIP-UHFFFAOYSA-N 1 3 305.813 2.227 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)Cc1cccc(F)c1 ZINC001403132723 1162770787 /nfs/dbraw/zinc/77/07/87/1162770787.db2.gz XXBUZLZUEWJJKX-CKEIUWERSA-N 1 3 321.440 2.102 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)Cc1cccc(F)c1 ZINC001403132723 1162770802 /nfs/dbraw/zinc/77/08/02/1162770802.db2.gz XXBUZLZUEWJJKX-CKEIUWERSA-N 1 3 321.440 2.102 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](C)[C@H](C)c1cccc(C)c1)N(C)C ZINC001372193691 1156304847 /nfs/dbraw/zinc/30/48/47/1156304847.db2.gz YRTGZKNEMFKRQH-NVXWUHKLSA-N 1 3 305.466 2.444 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](C)[C@H](C)c1cccc(C)c1)N(C)C ZINC001372193691 1156304853 /nfs/dbraw/zinc/30/48/53/1156304853.db2.gz YRTGZKNEMFKRQH-NVXWUHKLSA-N 1 3 305.466 2.444 20 0 DEADHO CC(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001391359117 1156356567 /nfs/dbraw/zinc/35/65/67/1156356567.db2.gz ZIQGXSKGYRECFZ-DLBZAZTESA-N 1 3 311.514 2.399 20 0 DEADHO CC(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001391359117 1156356573 /nfs/dbraw/zinc/35/65/73/1156356573.db2.gz ZIQGXSKGYRECFZ-DLBZAZTESA-N 1 3 311.514 2.399 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001403155275 1162796662 /nfs/dbraw/zinc/79/66/62/1162796662.db2.gz CMRYESGESPFXOZ-CQSZACIVSA-N 1 3 316.449 2.102 20 0 DEADHO C[C@H](c1ccccc1F)N1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001372644886 1156632054 /nfs/dbraw/zinc/63/20/54/1156632054.db2.gz DYXHFQMMUQIIQQ-HUUCEWRRSA-N 1 3 321.440 2.277 20 0 DEADHO CC[C@H](C(=O)N(C)CC[NH2+][C@H]1CCc2ccccc21)N(C)C ZINC001372970176 1156830862 /nfs/dbraw/zinc/83/08/62/1156830862.db2.gz VEHHNGJVEAITMV-DLBZAZTESA-N 1 3 303.450 2.062 20 0 DEADHO CC(C)CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001373317950 1156973061 /nfs/dbraw/zinc/97/30/61/1156973061.db2.gz ZDQSPWFJUWGPTB-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001373317950 1156973075 /nfs/dbraw/zinc/97/30/75/1156973075.db2.gz ZDQSPWFJUWGPTB-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H](CNCc1ccccc1Cl)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001392523074 1157089551 /nfs/dbraw/zinc/08/95/51/1157089551.db2.gz HMHUCPUYXRZVQS-ZIAGYGMSSA-N 1 3 323.868 2.276 20 0 DEADHO C[C@H](CNCc1ccccc1Cl)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001392523074 1157089556 /nfs/dbraw/zinc/08/95/56/1157089556.db2.gz HMHUCPUYXRZVQS-ZIAGYGMSSA-N 1 3 323.868 2.276 20 0 DEADHO CC[C@@H](C(=O)NCC1C[NH+]([C@@H](C)c2ccccc2)C1)N(C)C ZINC001373548743 1157091095 /nfs/dbraw/zinc/09/10/95/1157091095.db2.gz CHVBLGAJTNDPOW-YOEHRIQHSA-N 1 3 303.450 2.136 20 0 DEADHO C[C@@H](CN(C)Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392728838 1157377949 /nfs/dbraw/zinc/37/79/49/1157377949.db2.gz RGSFHYNDHRGVFP-DZGCQCFKSA-N 1 3 323.868 2.228 20 0 DEADHO C[C@@H](CN(C)Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392728838 1157377960 /nfs/dbraw/zinc/37/79/60/1157377960.db2.gz RGSFHYNDHRGVFP-DZGCQCFKSA-N 1 3 323.868 2.228 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC(CC[NH2+]C(C)C)CC1 ZINC001373908360 1157453100 /nfs/dbraw/zinc/45/31/00/1157453100.db2.gz MGZFTZKIDRMXNQ-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001374031039 1157553655 /nfs/dbraw/zinc/55/36/55/1157553655.db2.gz RWBWZIWNHVHOGB-INIZCTEOSA-N 1 3 317.477 2.321 20 0 DEADHO CC(C)(C(=O)NCC1([NH2+]CC2CC2)CCCC1)N1CCCC1 ZINC001374167612 1157684693 /nfs/dbraw/zinc/68/46/93/1157684693.db2.gz YJNFFKUPNOGRGG-UHFFFAOYSA-N 1 3 307.482 2.289 20 0 DEADHO CC[C@H](C(=O)NCC1(C)CC[NH+](CCC2CC2)CC1)N(C)C ZINC001393189290 1157748661 /nfs/dbraw/zinc/74/86/61/1157748661.db2.gz XAVNHYCBIMHFAD-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCN2C)cc1 ZINC001374271006 1157789752 /nfs/dbraw/zinc/78/97/52/1157789752.db2.gz JWBMJFSKSGVINU-DOTOQJQBSA-N 1 3 303.450 2.026 20 0 DEADHO Cc1ccc(CN(C)CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC001374503244 1157878558 /nfs/dbraw/zinc/87/85/58/1157878558.db2.gz PDPMFNAKNGWVLG-SFHVURJKSA-N 1 3 319.493 2.471 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[N@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001374558135 1157899473 /nfs/dbraw/zinc/89/94/73/1157899473.db2.gz ULMRFGKGIUTIGI-ZACQAIPSSA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[N@@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001374558135 1157899476 /nfs/dbraw/zinc/89/94/76/1157899476.db2.gz ULMRFGKGIUTIGI-ZACQAIPSSA-N 1 3 309.498 2.153 20 0 DEADHO CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001393698388 1157911649 /nfs/dbraw/zinc/91/16/49/1157911649.db2.gz TZGFIKCYDTWIRJ-GOSISDBHSA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001393698388 1157911654 /nfs/dbraw/zinc/91/16/54/1157911654.db2.gz TZGFIKCYDTWIRJ-GOSISDBHSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)[C@@H](C)C1 ZINC001393788793 1157982190 /nfs/dbraw/zinc/98/21/90/1157982190.db2.gz PRHXHCTZCMTZOL-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)[C@@H](C)C1 ZINC001393788793 1157982205 /nfs/dbraw/zinc/98/22/05/1157982205.db2.gz PRHXHCTZCMTZOL-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)Cc1ccc(F)cc1 ZINC001394063008 1158227314 /nfs/dbraw/zinc/22/73/14/1158227314.db2.gz SNJPGBSECYYWNG-CKEIUWERSA-N 1 3 321.440 2.102 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)Cc1ccc(F)cc1 ZINC001394063008 1158227327 /nfs/dbraw/zinc/22/73/27/1158227327.db2.gz SNJPGBSECYYWNG-CKEIUWERSA-N 1 3 321.440 2.102 20 0 DEADHO C[C@@H](C[N@H+](C)CCc1cccs1)NC(=O)C1(N(C)C)CCC1 ZINC001375052783 1158254958 /nfs/dbraw/zinc/25/49/58/1158254958.db2.gz DLZYVOXZSGOSJA-AWEZNQCLSA-N 1 3 323.506 2.211 20 0 DEADHO C[C@@H](C[N@@H+](C)CCc1cccs1)NC(=O)C1(N(C)C)CCC1 ZINC001375052783 1158254968 /nfs/dbraw/zinc/25/49/68/1158254968.db2.gz DLZYVOXZSGOSJA-AWEZNQCLSA-N 1 3 323.506 2.211 20 0 DEADHO CC(C)CCCN1CC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001375320470 1158482099 /nfs/dbraw/zinc/48/20/99/1158482099.db2.gz SPSUMBORRPNFCM-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)[NH2+]C[C@@H](C1CC1)N(C)C(=O)C(C)(C)N1CCCCC1 ZINC001394420035 1158508761 /nfs/dbraw/zinc/50/87/61/1158508761.db2.gz BXLACCDSSAQHHQ-INIZCTEOSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC001394669842 1158663227 /nfs/dbraw/zinc/66/32/27/1158663227.db2.gz KYPVHLJHYWPVSB-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO Cc1ccc(CC[NH2+]C2(CNC(=O)CN(C)C(C)C)CC2)cc1 ZINC001375557406 1158812181 /nfs/dbraw/zinc/81/21/81/1158812181.db2.gz VGOLBJLKJDENHX-UHFFFAOYSA-N 1 3 317.477 2.116 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@H]1CC[N@H+](CC2CC2)C1 ZINC001375573037 1158817204 /nfs/dbraw/zinc/81/72/04/1158817204.db2.gz LPQSPNFKFQEIKV-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001375573037 1158817205 /nfs/dbraw/zinc/81/72/05/1158817205.db2.gz LPQSPNFKFQEIKV-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CCc1ccc(C)cc1)N(C)C ZINC001403559670 1163001799 /nfs/dbraw/zinc/00/17/99/1163001799.db2.gz BURIRDGUEMZPCN-FUHWJXTLSA-N 1 3 319.493 2.314 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cc(C)cc(C)c2)C1 ZINC001376161053 1159181934 /nfs/dbraw/zinc/18/19/34/1159181934.db2.gz MMQQQJFYUASEDM-GOSISDBHSA-N 1 3 317.477 2.336 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cc(C)cc(C)c2)C1 ZINC001376161053 1159181937 /nfs/dbraw/zinc/18/19/37/1159181937.db2.gz MMQQQJFYUASEDM-GOSISDBHSA-N 1 3 317.477 2.336 20 0 DEADHO C[C@@H]([NH2+]CCC1CC1)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001376324958 1159337837 /nfs/dbraw/zinc/33/78/37/1159337837.db2.gz BZJRJXIIXDYVRB-GDBMZVCRSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCc1ccccc1F ZINC001376782195 1159792843 /nfs/dbraw/zinc/79/28/43/1159792843.db2.gz HJZMLFFBXPTUGX-AWEZNQCLSA-N 1 3 321.440 2.294 20 0 DEADHO CN(CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC2CC2)C1)CC(C)(C)C ZINC001376986047 1159865031 /nfs/dbraw/zinc/86/50/31/1159865031.db2.gz QFRFDTLSBWHHFW-JKSUJKDBSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001377092272 1159897100 /nfs/dbraw/zinc/89/71/00/1159897100.db2.gz CGVJJIZQRIUSCR-LBPRGKRZSA-N 1 3 318.396 2.084 20 0 DEADHO CC(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001397051511 1159923591 /nfs/dbraw/zinc/92/35/91/1159923591.db2.gz OZDPQRCTUYNMFM-IXDOHACOSA-N 1 3 309.498 2.390 20 0 DEADHO CN(CC(=O)NC[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1)CC(C)(C)C ZINC001397081128 1159954432 /nfs/dbraw/zinc/95/44/32/1159954432.db2.gz NLIJRMKFKBOEEJ-YOQOKRQFSA-N 1 3 315.889 2.201 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCc2ccccc2)C1 ZINC001377285095 1160120877 /nfs/dbraw/zinc/12/08/77/1160120877.db2.gz MDOSOEGUYNRSTN-AEFFLSMTSA-N 1 3 317.477 2.007 20 0 DEADHO CCCN(C)CC(=O)N1CCC(C)([NH2+]CC2CCCC2)CC1 ZINC001377304777 1160176285 /nfs/dbraw/zinc/17/62/85/1160176285.db2.gz XIXGBJJCTYIONC-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1)N(C)C ZINC001397663309 1160388918 /nfs/dbraw/zinc/38/89/18/1160388918.db2.gz LJSLKDPJRRAXLT-ULQDDVLXSA-N 1 3 303.450 2.011 20 0 DEADHO CN(Cc1cccc(F)c1)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001377660437 1160688330 /nfs/dbraw/zinc/68/83/30/1160688330.db2.gz IJPPWXYVKIAAAB-QGZVFWFLSA-N 1 3 321.440 2.200 20 0 DEADHO CC(C)CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001398202503 1160817156 /nfs/dbraw/zinc/81/71/56/1160817156.db2.gz INHRYMMRDAALRH-ZBFHGGJFSA-N 1 3 306.454 2.358 20 0 DEADHO CN(C)C1(C(=O)NCC2C[NH+](CCCC3CCCC3)C2)CCC1 ZINC001377974684 1160887785 /nfs/dbraw/zinc/88/77/85/1160887785.db2.gz FTCYPHPSFBQYCR-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CCC3CCCC3)C2)CCC1 ZINC001398543764 1160962268 /nfs/dbraw/zinc/96/22/68/1160962268.db2.gz YRACCEKNNARHFU-WKILWMFISA-N 1 3 307.482 2.288 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@H+](C)CC[C@H]1CCCC1(F)F ZINC001492877483 1161127860 /nfs/dbraw/zinc/12/78/60/1161127860.db2.gz CIJXGMFKIYTXRQ-CQSZACIVSA-N 1 3 319.440 2.200 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@@H+](C)CC[C@H]1CCCC1(F)F ZINC001492877483 1161127861 /nfs/dbraw/zinc/12/78/61/1161127861.db2.gz CIJXGMFKIYTXRQ-CQSZACIVSA-N 1 3 319.440 2.200 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[N@H+](C)CC1CC2(CCC2)C1)N(C)C ZINC001399497051 1161427091 /nfs/dbraw/zinc/42/70/91/1161427091.db2.gz XNPYTOWAKCAKMO-INIZCTEOSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[N@@H+](C)CC1CC2(CCC2)C1)N(C)C ZINC001399497051 1161427095 /nfs/dbraw/zinc/42/70/95/1161427095.db2.gz XNPYTOWAKCAKMO-INIZCTEOSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](CC)Cc1ccccc1C)N(C)C ZINC001399810513 1161569713 /nfs/dbraw/zinc/56/97/13/1161569713.db2.gz MRKHVUFYYGYLHH-KRWDZBQOSA-N 1 3 305.466 2.273 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](CC)Cc1ccccc1C)N(C)C ZINC001399810513 1161569719 /nfs/dbraw/zinc/56/97/19/1161569719.db2.gz MRKHVUFYYGYLHH-KRWDZBQOSA-N 1 3 305.466 2.273 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC001399934316 1161612026 /nfs/dbraw/zinc/61/20/26/1161612026.db2.gz AOTQQHYWDPJTFY-INIZCTEOSA-N 1 3 321.440 2.106 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC001399934316 1161612029 /nfs/dbraw/zinc/61/20/29/1161612029.db2.gz AOTQQHYWDPJTFY-INIZCTEOSA-N 1 3 321.440 2.106 20 0 DEADHO Cc1cccc([C@H](C)[NH2+]CCN(C)C(=O)CN2CCCC2)c1 ZINC001400095843 1161652003 /nfs/dbraw/zinc/65/20/03/1161652003.db2.gz WNNKBZBCCYGZSL-INIZCTEOSA-N 1 3 303.450 2.200 20 0 DEADHO CCc1ccccc1CN1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001400298545 1161712669 /nfs/dbraw/zinc/71/26/69/1161712669.db2.gz UMSTZSXCOCIXQW-SFHVURJKSA-N 1 3 317.477 2.281 20 0 DEADHO CC[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CC[C@@H](C)F ZINC001400809414 1161826022 /nfs/dbraw/zinc/82/60/22/1161826022.db2.gz UPKBJJYNTYEWFM-CABCVRRESA-N 1 3 315.477 2.483 20 0 DEADHO C[NH+](C)CCCC(=O)NCCC1CCN(C/C=C\Cl)CC1 ZINC001401073801 1161867595 /nfs/dbraw/zinc/86/75/95/1161867595.db2.gz BBALYJWYYUXVLU-WTKPLQERSA-N 1 3 315.889 2.299 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)[C@@H](C)CNCc1ccccc1F)[NH+](C)C ZINC001401264057 1161908744 /nfs/dbraw/zinc/90/87/44/1161908744.db2.gz UWBURNVMLMCNPB-YOEHRIQHSA-N 1 3 323.456 2.348 20 0 DEADHO C[C@H](C[NH2+]Cc1cccc(Cl)c1)NC(=O)C1(N(C)C)CCC1 ZINC001401625525 1162050343 /nfs/dbraw/zinc/05/03/43/1162050343.db2.gz LYQGNNYUUYGUFN-CYBMUJFWSA-N 1 3 323.868 2.419 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(C)cc1C)N(C)C ZINC001401645881 1162057622 /nfs/dbraw/zinc/05/76/22/1162057622.db2.gz DDDIWPDGQQTQGQ-WBVHZDCISA-N 1 3 305.466 2.238 20 0 DEADHO C[C@H](CN[C@@H](C)c1ccccc1F)NC(=O)C12CC[NH+](CC1)C2 ZINC001401651764 1162059800 /nfs/dbraw/zinc/05/98/00/1162059800.db2.gz KWONFTOLVWZHRE-KGLIPLIRSA-N 1 3 319.424 2.077 20 0 DEADHO Cc1ccc(CNC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)c(Cl)c1 ZINC001401670898 1162068983 /nfs/dbraw/zinc/06/89/83/1162068983.db2.gz RQBJNDWONAKNMT-UKRRQHHQSA-N 1 3 323.868 2.194 20 0 DEADHO Cc1ccc(CNC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)c(Cl)c1 ZINC001401670898 1162068987 /nfs/dbraw/zinc/06/89/87/1162068987.db2.gz RQBJNDWONAKNMT-UKRRQHHQSA-N 1 3 323.868 2.194 20 0 DEADHO Cc1cc(C[NH2+]C[C@H](C)NC(=O)C2(N(C)C)CCC2)cs1 ZINC001401684589 1162075376 /nfs/dbraw/zinc/07/53/76/1162075376.db2.gz DPWWTZMUVZDUBV-LBPRGKRZSA-N 1 3 309.479 2.135 20 0 DEADHO Cc1cccc(CNC2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1 ZINC001401950398 1162193908 /nfs/dbraw/zinc/19/39/08/1162193908.db2.gz WZLOJXWXDOBOHK-NVXWUHKLSA-N 1 3 315.461 2.074 20 0 DEADHO Cc1cccc(CNC2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c1 ZINC001401950398 1162193912 /nfs/dbraw/zinc/19/39/12/1162193912.db2.gz WZLOJXWXDOBOHK-NVXWUHKLSA-N 1 3 315.461 2.074 20 0 DEADHO CC[C@H](C(=O)NC1(C)CC[NH+](Cc2ccccc2)CC1)N(C)C ZINC001402080247 1162239519 /nfs/dbraw/zinc/23/95/19/1162239519.db2.gz WVJVENKKMIBUKC-QGZVFWFLSA-N 1 3 317.477 2.498 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C1CC[NH+](CC2CCC2)CC1 ZINC001404015134 1163376795 /nfs/dbraw/zinc/37/67/95/1163376795.db2.gz VLIIVQHKTGJDNZ-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](NC1CC(N(C)C(=O)CC[NH+](C)C)C1)c1ccccc1F ZINC001404025039 1163383965 /nfs/dbraw/zinc/38/39/65/1163383965.db2.gz XCVVYSCZPCZSRK-WLYUNCDWSA-N 1 3 321.440 2.417 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN(Cc2ccsc2)C1 ZINC001404105076 1163448996 /nfs/dbraw/zinc/44/89/96/1163448996.db2.gz SBXMMADTRXUGHI-AWEZNQCLSA-N 1 3 309.479 2.028 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN(Cc2ccsc2)C1 ZINC001404105076 1163449000 /nfs/dbraw/zinc/44/90/00/1163449000.db2.gz SBXMMADTRXUGHI-AWEZNQCLSA-N 1 3 309.479 2.028 20 0 DEADHO Cc1cccc(CN(CCNC(=O)CC[NH+](C)C)C2CC2)c1 ZINC001404267133 1163543817 /nfs/dbraw/zinc/54/38/17/1163543817.db2.gz VAMBAGNPEBSAAF-UHFFFAOYSA-N 1 3 303.450 2.027 20 0 DEADHO CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCCC1 ZINC001404987976 1163884427 /nfs/dbraw/zinc/88/44/27/1163884427.db2.gz WLMXGBRGMMANAD-IRXDYDNUSA-N 1 3 307.482 2.338 20 0 DEADHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(C)c1)N(C)C ZINC001405888944 1164314432 /nfs/dbraw/zinc/31/44/32/1164314432.db2.gz IFMRJUKRRSVNBU-DOTOQJQBSA-N 1 3 305.466 2.272 20 0 DEADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(F)cc1C ZINC001405904414 1164324434 /nfs/dbraw/zinc/32/44/34/1164324434.db2.gz RYLIRIBUEVWMJA-HNNXBMFYSA-N 1 3 323.456 2.412 20 0 DEADHO CC(C)[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccsc1 ZINC001406045497 1164406227 /nfs/dbraw/zinc/40/62/27/1164406227.db2.gz MZBITQLVNPXZJU-GOEBONIOSA-N 1 3 323.506 2.320 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001406366751 1164555346 /nfs/dbraw/zinc/55/53/46/1164555346.db2.gz OOXYFBKUVBMFKU-PBHICJAKSA-N 1 3 323.456 2.315 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[N@H+](C)C/C=C/c1ccccc1 ZINC001406732526 1164810326 /nfs/dbraw/zinc/81/03/26/1164810326.db2.gz YQDNPLGNMZJXAH-XLNAKTSKSA-N 1 3 317.477 2.477 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[N@@H+](C)C/C=C/c1ccccc1 ZINC001406732526 1164810328 /nfs/dbraw/zinc/81/03/28/1164810328.db2.gz YQDNPLGNMZJXAH-XLNAKTSKSA-N 1 3 317.477 2.477 20 0 DEADHO C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CCN2Cc1ccsc1 ZINC001407654242 1165242930 /nfs/dbraw/zinc/24/29/30/1165242930.db2.gz HUZUUXXBLHWZSX-CVEARBPZSA-N 1 3 321.490 2.265 20 0 DEADHO COC(=O)c1ccc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)nc1 ZINC001414156889 1165715433 /nfs/dbraw/zinc/71/54/33/1165715433.db2.gz KNNSCSBWYGRMRH-INIZCTEOSA-N 1 3 317.433 2.032 20 0 DEADHO Cc1cccc(C)c1CN1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001417755902 1167190168 /nfs/dbraw/zinc/19/01/68/1167190168.db2.gz QGINYLQCYLETQA-KRWDZBQOSA-N 1 3 317.477 2.288 20 0 DEADHO CC[C@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001417762080 1167195446 /nfs/dbraw/zinc/19/54/46/1167195446.db2.gz LQMNAHURDVVEPX-JONQDZQNSA-N 1 3 313.461 2.092 20 0 DEADHO CC(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001417796351 1167219745 /nfs/dbraw/zinc/21/97/45/1167219745.db2.gz IXWBNHKGNBAJAX-ULQDDVLXSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@H](F)CN[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001418266711 1167532392 /nfs/dbraw/zinc/53/23/92/1167532392.db2.gz URCGWHXYZPOZJL-CABCVRRESA-N 1 3 315.477 2.341 20 0 DEADHO CC(C)CN1CC[C@@H]1CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001418590429 1167831316 /nfs/dbraw/zinc/83/13/16/1167831316.db2.gz DITJENAGXYPZQT-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)N1CCCCCC1 ZINC001418590429 1167831318 /nfs/dbraw/zinc/83/13/18/1167831318.db2.gz DITJENAGXYPZQT-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)N1CCCCCC1 ZINC001418590429 1167831319 /nfs/dbraw/zinc/83/13/19/1167831319.db2.gz DITJENAGXYPZQT-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO C[NH+](C)[C@@H]1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)C12CCC2 ZINC001418614198 1167844021 /nfs/dbraw/zinc/84/40/21/1167844021.db2.gz HQKZSSVTEWXYOK-HUUCEWRRSA-N 1 3 307.482 2.240 20 0 DEADHO CC[C@H](C(=O)N1CCC(C[N@H+](C)CC[C@@H](C)F)CC1)N(C)C ZINC001418940004 1168080878 /nfs/dbraw/zinc/08/08/78/1168080878.db2.gz VWFCDVNYBIPLKE-GDBMZVCRSA-N 1 3 315.477 2.245 20 0 DEADHO CC[C@H](C(=O)N1CCC(C[N@@H+](C)CC[C@@H](C)F)CC1)N(C)C ZINC001418940004 1168080882 /nfs/dbraw/zinc/08/08/82/1168080882.db2.gz VWFCDVNYBIPLKE-GDBMZVCRSA-N 1 3 315.477 2.245 20 0 DEADHO CCc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H](CC)N(C)C)C2)cc1 ZINC001419414408 1168456408 /nfs/dbraw/zinc/45/64/08/1168456408.db2.gz TWAIPICRHMXEPJ-BZSNNMDCSA-N 1 3 317.477 2.326 20 0 DEADHO Cc1cccc(C[NH2+]C[C@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001419468817 1168514850 /nfs/dbraw/zinc/51/48/50/1168514850.db2.gz KVLTXCKRRHTAAT-INIZCTEOSA-N 1 3 317.477 2.321 20 0 DEADHO Cc1cccc([C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cc2c[nH]cn2)c1 ZINC001419726882 1168822488 /nfs/dbraw/zinc/82/24/88/1168822488.db2.gz RMLDVXHNNMCLRR-CABCVRRESA-N 1 3 314.433 2.458 20 0 DEADHO CC(C)[NH2+]CCc1ccc(CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001420009945 1169057774 /nfs/dbraw/zinc/05/77/74/1169057774.db2.gz AIRWKTPTPVDDHD-UHFFFAOYSA-N 1 3 317.477 2.328 20 0 DEADHO CCc1ccc(C[N@@H+](C)CCNC(=O)[C@H](CC)N(C)C)cc1 ZINC001420298736 1169334577 /nfs/dbraw/zinc/33/45/77/1169334577.db2.gz MLZFCQTVLFIXGK-KRWDZBQOSA-N 1 3 305.466 2.137 20 0 DEADHO CCc1ccc(C[N@H+](C)CCNC(=O)[C@H](CC)N(C)C)cc1 ZINC001420298736 1169334581 /nfs/dbraw/zinc/33/45/81/1169334581.db2.gz MLZFCQTVLFIXGK-KRWDZBQOSA-N 1 3 305.466 2.137 20 0 DEADHO CCc1ccccc1CN(C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001420334978 1169372288 /nfs/dbraw/zinc/37/22/88/1169372288.db2.gz STNWZJVHVIPYBY-INIZCTEOSA-N 1 3 317.477 2.139 20 0 DEADHO CCc1ccccc1CN(C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001420334978 1169372297 /nfs/dbraw/zinc/37/22/97/1169372297.db2.gz STNWZJVHVIPYBY-INIZCTEOSA-N 1 3 317.477 2.139 20 0 DEADHO CC[N@H+](CCNC(=O)C1(N(C)C)CCC1)CC1CC(C)(C)C1 ZINC001420390911 1169458693 /nfs/dbraw/zinc/45/86/93/1169458693.db2.gz ALQPCOQIZFECQV-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)CC1CC(C)(C)C1 ZINC001420390911 1169458699 /nfs/dbraw/zinc/45/86/99/1169458699.db2.gz ALQPCOQIZFECQV-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C(=O)[C@@H](F)CN(CC)CC)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001420804552 1171180858 /nfs/dbraw/zinc/18/08/58/1171180858.db2.gz NEUQMDHRSIHMHS-HOTGVXAUSA-N 1 3 315.477 2.388 20 0 DEADHO CCCN(C(=O)[C@@H](F)CN(CC)CC)[C@H]1CC[N@H+](C(C)C)C1 ZINC001420804552 1171180867 /nfs/dbraw/zinc/18/08/67/1171180867.db2.gz NEUQMDHRSIHMHS-HOTGVXAUSA-N 1 3 315.477 2.388 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]C/C=C\Cl)CCN1C(=O)CN(C)C1CCC1 ZINC001421102247 1171494934 /nfs/dbraw/zinc/49/49/34/1171494934.db2.gz NCKRGZCQNIHVQA-CWIKABRRSA-N 1 3 313.873 2.192 20 0 DEADHO CC1CC(C[NH2+]C[C@@]2(C)CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001421242440 1171630892 /nfs/dbraw/zinc/63/08/92/1171630892.db2.gz XVXOOVVFVYCZPN-LADRWXRNSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@]1(C)CCC[N@H+](CCCF)C1)N(C)C ZINC001421288447 1171676038 /nfs/dbraw/zinc/67/60/38/1171676038.db2.gz JMRZJZXFJKEHLO-WBVHZDCISA-N 1 3 315.477 2.151 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@]1(C)CCC[N@@H+](CCCF)C1)N(C)C ZINC001421288447 1171676044 /nfs/dbraw/zinc/67/60/44/1171676044.db2.gz JMRZJZXFJKEHLO-WBVHZDCISA-N 1 3 315.477 2.151 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC(C)([NH2+]CCC3CC3)CC2)C1 ZINC001422058988 1172262568 /nfs/dbraw/zinc/26/25/68/1172262568.db2.gz VJHNHFTVOZJJDQ-OAHLLOKOSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)CCN1CCC(F)(F)F ZINC001422134864 1172331761 /nfs/dbraw/zinc/33/17/61/1172331761.db2.gz WSVDFVDSJFCKID-CHWSQXEVSA-N 1 3 323.403 2.250 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1(C[NH2+]CC2CC2)CCCCC1 ZINC001422682032 1172807309 /nfs/dbraw/zinc/80/73/09/1172807309.db2.gz SPPQBVXVPXCVCB-UHFFFAOYSA-N 1 3 304.438 2.079 20 0 DEADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CC1CCCCC1 ZINC001423077415 1173060168 /nfs/dbraw/zinc/06/01/68/1173060168.db2.gz OQUQLZVWDWAMRR-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](F)CNC1(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001423296674 1173214782 /nfs/dbraw/zinc/21/47/82/1173214782.db2.gz CQUILDZLKDTJBJ-OAHLLOKOSA-N 1 3 313.461 2.093 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CCC(F)(F)F)CN1C(=O)CN(C)C1CCC1 ZINC001423340758 1173264794 /nfs/dbraw/zinc/26/47/94/1173264794.db2.gz XCJHUOCFPCSMFA-NEPJUHHUSA-N 1 3 321.387 2.002 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC2CCC2)C1 ZINC001423647321 1173465161 /nfs/dbraw/zinc/46/51/61/1173465161.db2.gz GCBSRGSMQJBMMZ-HKUYNNGSSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@H](C(=O)N1CCC(C)([NH2+]C/C=C\Cl)CC1)N(C)C ZINC001424490530 1173809279 /nfs/dbraw/zinc/80/92/79/1173809279.db2.gz LAUPURRKQXNKLP-OYVUYXNMSA-N 1 3 301.862 2.050 20 0 DEADHO CC(C)CCC[NH+]1CC([C@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001425215997 1174240251 /nfs/dbraw/zinc/24/02/51/1174240251.db2.gz ADVRMZUDGLZHBA-HNNXBMFYSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C1C[NH+](Cc2ccccc2C)C1 ZINC001425260580 1174265694 /nfs/dbraw/zinc/26/56/94/1174265694.db2.gz ANMDTKZCRONGQB-INIZCTEOSA-N 1 3 317.477 2.273 20 0 DEADHO CC[C@H](F)C[N@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001425433172 1174319251 /nfs/dbraw/zinc/31/92/51/1174319251.db2.gz AJSUBHWGNYQBNL-AWEZNQCLSA-N 1 3 313.461 2.142 20 0 DEADHO CC[C@H](F)C[N@@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001425433172 1174319259 /nfs/dbraw/zinc/31/92/59/1174319259.db2.gz AJSUBHWGNYQBNL-AWEZNQCLSA-N 1 3 313.461 2.142 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC2CCCCC2)[C@@H]1C ZINC001425899734 1174504861 /nfs/dbraw/zinc/50/48/61/1174504861.db2.gz QNOSAYDHGWMTBQ-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]21 ZINC001425917648 1174511804 /nfs/dbraw/zinc/51/18/04/1174511804.db2.gz IORRPIYTZODKSM-BZUAXINKSA-N 1 3 309.498 2.201 20 0 DEADHO CN(C)[C@@H](CNC(=O)C1([NH+](C)C)CCCC1)c1ccccc1 ZINC001433590843 1177883351 /nfs/dbraw/zinc/88/33/51/1177883351.db2.gz SYFYPZSYMRXMSV-INIZCTEOSA-N 1 3 303.450 2.280 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N(CCN(C)C)C2CCCCC2)CC[N@@H+]1C ZINC001433658111 1177914332 /nfs/dbraw/zinc/91/43/32/1177914332.db2.gz HXXLPIBEIIPSIZ-HOTGVXAUSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N(CCN(C)C)C2CCCCC2)CC[N@H+]1C ZINC001433658111 1177914348 /nfs/dbraw/zinc/91/43/48/1177914348.db2.gz HXXLPIBEIIPSIZ-HOTGVXAUSA-N 1 3 309.498 2.440 20 0 DEADHO CN1C[C@@H](NC(=O)C[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001434380381 1178426388 /nfs/dbraw/zinc/42/63/88/1178426388.db2.gz JTJFJQVOODLNCP-HZPDHXFCSA-N 1 3 303.450 2.136 20 0 DEADHO CC[NH+]1CCC(CN2CCN(c3ccccc3O)CC2)CC1 ZINC001434520422 1178747994 /nfs/dbraw/zinc/74/79/94/1178747994.db2.gz ZJTPEKYUIVXJHR-UHFFFAOYSA-N 1 3 303.450 2.246 20 0 DEADHO C[C@@H](COCC1CC1)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001434532557 1178791919 /nfs/dbraw/zinc/79/19/19/1178791919.db2.gz MPRGWJKHEVFMDD-ZLPCBKJTSA-N 1 3 310.482 2.425 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CCc2ccccc2)C1 ZINC001436365753 1179064608 /nfs/dbraw/zinc/06/46/08/1179064608.db2.gz GVRWIWGRBZDZFD-HDICACEKSA-N 1 3 317.477 2.054 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2F)C1)N(C)C ZINC001436974881 1179325069 /nfs/dbraw/zinc/32/50/69/1179325069.db2.gz HLNGMZIONPMXAD-ZJOBFFGXSA-N 1 3 321.440 2.464 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001437324960 1179720104 /nfs/dbraw/zinc/72/01/04/1179720104.db2.gz KPMXEOZUFPAWLQ-MRXNPFEDSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001437729078 1179912812 /nfs/dbraw/zinc/91/28/12/1179912812.db2.gz RSZRUBHOKMDZSY-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C)C[N@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001437729078 1179912822 /nfs/dbraw/zinc/91/28/22/1179912822.db2.gz RSZRUBHOKMDZSY-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+](CCc2cccs2)C1 ZINC001437738446 1179927859 /nfs/dbraw/zinc/92/78/59/1179927859.db2.gz JPYPMOFVBORRTL-OAHLLOKOSA-N 1 3 323.506 2.071 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+](CCc2cccs2)C1 ZINC001437738446 1179927873 /nfs/dbraw/zinc/92/78/73/1179927873.db2.gz JPYPMOFVBORRTL-OAHLLOKOSA-N 1 3 323.506 2.071 20 0 DEADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@H+](CC2CCCC2)C1)N(C)C ZINC001437935520 1180089825 /nfs/dbraw/zinc/08/98/25/1180089825.db2.gz CJSFLMLMBVDXMY-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@@H+](CC2CCCC2)C1)N(C)C ZINC001437935520 1180089830 /nfs/dbraw/zinc/08/98/30/1180089830.db2.gz CJSFLMLMBVDXMY-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)NCC1C[NH+](CC2CCCCCC2)C1)N(C)C ZINC001438147080 1180216834 /nfs/dbraw/zinc/21/68/34/1180216834.db2.gz WSWMYAPVOUIRMU-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1)c1cccc(F)c1 ZINC001438725750 1180797235 /nfs/dbraw/zinc/79/72/35/1180797235.db2.gz WLSSQBBQHLWQAG-LSDHHAIUSA-N 1 3 321.440 2.419 20 0 DEADHO CN(CC[N@H+](C)CCc1ccccc1)C(=O)CN(C)C1CCC1 ZINC001438881477 1180840377 /nfs/dbraw/zinc/84/03/77/1180840377.db2.gz DSGDCNCDRJIPLG-UHFFFAOYSA-N 1 3 317.477 2.104 20 0 DEADHO CN(CC[N@@H+](C)CCc1ccccc1)C(=O)CN(C)C1CCC1 ZINC001438881477 1180840382 /nfs/dbraw/zinc/84/03/82/1180840382.db2.gz DSGDCNCDRJIPLG-UHFFFAOYSA-N 1 3 317.477 2.104 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001438939265 1180858498 /nfs/dbraw/zinc/85/84/98/1180858498.db2.gz UDOGLCHCRUUTDV-GOSISDBHSA-N 1 3 317.477 2.404 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001438939265 1180858500 /nfs/dbraw/zinc/85/85/00/1180858500.db2.gz UDOGLCHCRUUTDV-GOSISDBHSA-N 1 3 317.477 2.404 20 0 DEADHO C[C@H](C[NH2+]CC1CCC1)NC(=O)c1cccc(CN(C)C)c1 ZINC001439181308 1180916674 /nfs/dbraw/zinc/91/66/74/1180916674.db2.gz DRAXHRFVONGERH-CQSZACIVSA-N 1 3 303.450 2.256 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(C2CC2)cc1 ZINC001439182936 1180918854 /nfs/dbraw/zinc/91/88/54/1180918854.db2.gz WQMXAURFMYVCNX-OAHLLOKOSA-N 1 3 317.477 2.499 20 0 DEADHO CC(C)CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001439776258 1181231547 /nfs/dbraw/zinc/23/15/47/1181231547.db2.gz HIMBCEKAAYUYAQ-HZPDHXFCSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)C[C@H]2CC[N@@H+]2CCCC2CCC2)C1 ZINC001440241503 1181398530 /nfs/dbraw/zinc/39/85/30/1181398530.db2.gz JPBSCVUFXLJAFU-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)C[C@H]2CC[N@H+]2CCCC2CCC2)C1 ZINC001440241503 1181398537 /nfs/dbraw/zinc/39/85/37/1181398537.db2.gz JPBSCVUFXLJAFU-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCC1)N(C)C ZINC001440353177 1181461324 /nfs/dbraw/zinc/46/13/24/1181461324.db2.gz CCZDAJLASIDOAX-HNNXBMFYSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC2)C1 ZINC001440362911 1181465688 /nfs/dbraw/zinc/46/56/88/1181465688.db2.gz PHYHUHUMMXVKRV-MUIFIZLQSA-N 1 3 307.482 2.144 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C/C=C\Cl)C1 ZINC001440363678 1181466067 /nfs/dbraw/zinc/46/60/67/1181466067.db2.gz UGRWOVITTSQJIA-QFPHHOLTSA-N 1 3 313.873 2.098 20 0 DEADHO CC1CCN(CC(=O)N(C)CCC[N@H+](C)CC2CCC2)CC1 ZINC001440488526 1181553750 /nfs/dbraw/zinc/55/37/50/1181553750.db2.gz QAAVTCQUNJZOCD-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CC1CCN(CC(=O)N(C)CCC[N@@H+](C)CC2CCC2)CC1 ZINC001440488526 1181553765 /nfs/dbraw/zinc/55/37/65/1181553765.db2.gz QAAVTCQUNJZOCD-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO C[C@H](CC[NH+](C)C)C(=O)NCCCN1CCc2ccccc2C1 ZINC001441298382 1181935575 /nfs/dbraw/zinc/93/55/75/1181935575.db2.gz PELRLEAYMXSXOO-MRXNPFEDSA-N 1 3 317.477 2.139 20 0 DEADHO CC(C)N(CC[N@H+](C)CC1CCC1)C(=O)CN(C)C1CCC1 ZINC001442107946 1182323495 /nfs/dbraw/zinc/32/34/95/1182323495.db2.gz RIGFWDXTONFXLW-UHFFFAOYSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(CC[N@@H+](C)CC1CCC1)C(=O)CN(C)C1CCC1 ZINC001442107946 1182323503 /nfs/dbraw/zinc/32/35/03/1182323503.db2.gz RIGFWDXTONFXLW-UHFFFAOYSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H](CC[NH+](C)C)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC001442350491 1182431520 /nfs/dbraw/zinc/43/15/20/1182431520.db2.gz GFHQBLDUOZELMD-HNNXBMFYSA-N 1 3 323.456 2.304 20 0 DEADHO C[C@H]([NH2+]CCN(C)C(=O)CN1CC[C@H](C)C1)c1cccc(F)c1 ZINC001443078418 1182842650 /nfs/dbraw/zinc/84/26/50/1182842650.db2.gz KZICIUIQYPQKFO-GJZGRUSLSA-N 1 3 321.440 2.277 20 0 DEADHO CC[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCCN1C)c1ccc(F)cc1 ZINC001443086519 1182844894 /nfs/dbraw/zinc/84/48/94/1182844894.db2.gz NVGHYNFEECFOSQ-DLBZAZTESA-N 1 3 321.440 2.419 20 0 DEADHO C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCCN1C)c1cccc(F)c1 ZINC001443093904 1182846072 /nfs/dbraw/zinc/84/60/72/1182846072.db2.gz BQDJDNIUQOMJOU-CZUORRHYSA-N 1 3 307.413 2.029 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC2C[NH+](CCCC3CCCC3)C2)C1 ZINC001443618867 1183056183 /nfs/dbraw/zinc/05/61/83/1183056183.db2.gz XSKSTTVWWYYSIS-MRXNPFEDSA-N 1 3 321.509 2.347 20 0 DEADHO CC(C)C[NH2+]C[C@@](C)(NC(=O)CN(C)CC(C)(C)C)C1CC1 ZINC001444151011 1183300889 /nfs/dbraw/zinc/30/08/89/1183300889.db2.gz NDYSSAQQPSGKQA-GOSISDBHSA-N 1 3 311.514 2.495 20 0 DEADHO C[C@H](C[NH2+][C@@H]1CCc2ccccc21)N(C)C(=O)Cc1c[nH]cn1 ZINC001444677218 1183513853 /nfs/dbraw/zinc/51/38/53/1183513853.db2.gz DRCFXWVYDKKHPS-CXAGYDPISA-N 1 3 312.417 2.076 20 0 DEADHO C[C@H](CNCc1ccccc1F)NC(=O)CC1CC[NH+](C)CC1 ZINC001445458406 1183878389 /nfs/dbraw/zinc/87/83/89/1183878389.db2.gz SGSXAYRVNAQRNK-CQSZACIVSA-N 1 3 321.440 2.152 20 0 DEADHO C[C@H](CN(C)[C@@H](C)c1ccc(F)cc1)NC(=O)CC[NH+](C)C ZINC001445804453 1184063263 /nfs/dbraw/zinc/06/32/63/1184063263.db2.gz WNVCVMOXXPRYAW-KGLIPLIRSA-N 1 3 309.429 2.275 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1CC[N@@H+]1CCC(C)(C)C ZINC001446050041 1184199338 /nfs/dbraw/zinc/19/93/38/1184199338.db2.gz CZXWNUHNOOQKBW-LSDHHAIUSA-N 1 3 315.477 2.293 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1CC[N@H+]1CCC(C)(C)C ZINC001446050041 1184199344 /nfs/dbraw/zinc/19/93/44/1184199344.db2.gz CZXWNUHNOOQKBW-LSDHHAIUSA-N 1 3 315.477 2.293 20 0 DEADHO CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001446663537 1184480481 /nfs/dbraw/zinc/48/04/81/1184480481.db2.gz FJNKOLHJSRRIRA-WMZOPIPTSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001446663537 1184480483 /nfs/dbraw/zinc/48/04/83/1184480483.db2.gz FJNKOLHJSRRIRA-WMZOPIPTSA-N 1 3 309.498 2.488 20 0 DEADHO CN(CC(=O)NC[C@]1(C)CCC[N@H+](CCCF)C1)C1CCC1 ZINC001446686361 1184505031 /nfs/dbraw/zinc/50/50/31/1184505031.db2.gz RZRCXLGEXXLVCR-KRWDZBQOSA-N 1 3 313.461 2.049 20 0 DEADHO CN(CC(=O)NC[C@]1(C)CCC[N@@H+](CCCF)C1)C1CCC1 ZINC001446686361 1184505037 /nfs/dbraw/zinc/50/50/37/1184505037.db2.gz RZRCXLGEXXLVCR-KRWDZBQOSA-N 1 3 313.461 2.049 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H](C2CC[NH+](CC)CC2)C1 ZINC001446926298 1184580448 /nfs/dbraw/zinc/58/04/48/1184580448.db2.gz SVEPOGNCDMZMOQ-QGZVFWFLSA-N 1 3 309.498 2.299 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001447166073 1184657631 /nfs/dbraw/zinc/65/76/31/1184657631.db2.gz ZXTJPLXXCAHSAE-ZNMIVQPWSA-N 1 3 301.450 2.045 20 0 DEADHO CN(CCC[N@H+](C)CCc1cccs1)C(=O)CN1CCCC1 ZINC001447378255 1184751553 /nfs/dbraw/zinc/75/15/53/1184751553.db2.gz PMUNRVLZYPSRSQ-UHFFFAOYSA-N 1 3 323.506 2.167 20 0 DEADHO CN(CCC[N@@H+](C)CCc1cccs1)C(=O)CN1CCCC1 ZINC001447378255 1184751555 /nfs/dbraw/zinc/75/15/55/1184751555.db2.gz PMUNRVLZYPSRSQ-UHFFFAOYSA-N 1 3 323.506 2.167 20 0 DEADHO CCC1([NH2+]C/C=C/Cl)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001447416452 1184765589 /nfs/dbraw/zinc/76/55/89/1184765589.db2.gz RLSMLRSNOGMXJX-VZUFXWRPSA-N 1 3 313.873 2.194 20 0 DEADHO CC[C@H](F)C[N@H+](CC)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001447740025 1184854614 /nfs/dbraw/zinc/85/46/14/1184854614.db2.gz OZEREKIXPRSIGP-HNNXBMFYSA-N 1 3 324.444 2.261 20 0 DEADHO CC[C@H](F)C[N@@H+](CC)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001447740025 1184854617 /nfs/dbraw/zinc/85/46/17/1184854617.db2.gz OZEREKIXPRSIGP-HNNXBMFYSA-N 1 3 324.444 2.261 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H]2CC[N@H+](CCC)C2)C1 ZINC001447773834 1184867819 /nfs/dbraw/zinc/86/78/19/1184867819.db2.gz MOGLGDWFRKHYMI-SJORKVTESA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H]2CC[N@@H+](CCC)C2)C1 ZINC001447773834 1184867822 /nfs/dbraw/zinc/86/78/22/1184867822.db2.gz MOGLGDWFRKHYMI-SJORKVTESA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N(C)C1CCC([NH2+]C/C=C/Cl)CC1 ZINC001447943291 1184968796 /nfs/dbraw/zinc/96/87/96/1184968796.db2.gz AHGFKMORNWHQRS-BJMVGYQFSA-N 1 3 315.889 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2F)C1 ZINC001448512027 1185266986 /nfs/dbraw/zinc/26/69/86/1185266986.db2.gz QFVZBQSFPKXWQK-KOMQPUFPSA-N 1 3 321.440 2.150 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]CC(C)C)C1CC1 ZINC001448606409 1185319285 /nfs/dbraw/zinc/31/92/85/1185319285.db2.gz YPVVRZUAIHYKTN-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+]CCc1cccs1 ZINC001448784420 1185416761 /nfs/dbraw/zinc/41/67/61/1185416761.db2.gz WUHWCIXONKZMOL-AWEZNQCLSA-N 1 3 311.495 2.067 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C[NH2+]CC1CCC1)C(C)(C)C ZINC001449322784 1185651880 /nfs/dbraw/zinc/65/18/80/1185651880.db2.gz FZNKFWGMZFOBJZ-HNNXBMFYSA-N 1 3 306.454 2.181 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)cc3)C2)CCC1 ZINC001370487758 1149788981 /nfs/dbraw/zinc/78/89/81/1149788981.db2.gz YCSVTOMIFMTWHW-WKILWMFISA-N 1 3 319.424 2.047 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccsc2)C1)N(C)C ZINC001370782926 1149834719 /nfs/dbraw/zinc/83/47/19/1149834719.db2.gz ZGKKDZAWQAUWAQ-ZBFHGGJFSA-N 1 3 323.506 2.417 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccsc2)C1)N(C)C ZINC001370782926 1149834723 /nfs/dbraw/zinc/83/47/23/1149834723.db2.gz ZGKKDZAWQAUWAQ-ZBFHGGJFSA-N 1 3 323.506 2.417 20 0 DEADHO CC(C)CC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106248605 782570177 /nfs/dbraw/zinc/57/01/77/782570177.db2.gz ULVJMFVZLVMCAR-HZPDHXFCSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CCC2CC2)[C@H](C)C1)N(C)C ZINC001106281829 782613335 /nfs/dbraw/zinc/61/33/35/782613335.db2.gz GCNYZVAJYJFASS-OIISXLGYSA-N 1 3 309.498 2.057 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001106797586 782942968 /nfs/dbraw/zinc/94/29/68/782942968.db2.gz QZDLIYQGXQCKSA-KBAYOESNSA-N 1 3 323.525 2.449 20 0 DEADHO CCC[N@@H+]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089490404 783155748 /nfs/dbraw/zinc/15/57/48/783155748.db2.gz AOOXUNXYDXSXRC-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO CCC[N@H+]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089490404 783155754 /nfs/dbraw/zinc/15/57/54/783155754.db2.gz AOOXUNXYDXSXRC-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089491817 783157022 /nfs/dbraw/zinc/15/70/22/783157022.db2.gz VUMFUXGWJYBYFE-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089491817 783157028 /nfs/dbraw/zinc/15/70/28/783157028.db2.gz VUMFUXGWJYBYFE-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1=CC[N@H+](CC2CCC2)CC1 ZINC001333457699 1150052992 /nfs/dbraw/zinc/05/29/92/1150052992.db2.gz LDFPGLNOAIYWBN-HZPDHXFCSA-N 1 3 319.493 2.408 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1=CC[N@@H+](CC2CCC2)CC1 ZINC001333457699 1150052995 /nfs/dbraw/zinc/05/29/95/1150052995.db2.gz LDFPGLNOAIYWBN-HZPDHXFCSA-N 1 3 319.493 2.408 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](CC1=CCCCC1)C2)N(C)C ZINC001072990977 790359567 /nfs/dbraw/zinc/35/95/67/790359567.db2.gz KVKIHENWJDIIPT-KRWDZBQOSA-N 1 3 319.493 2.361 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CC1=CCCCC1)C2)N(C)C ZINC001072990977 790359573 /nfs/dbraw/zinc/35/95/73/790359573.db2.gz KVKIHENWJDIIPT-KRWDZBQOSA-N 1 3 319.493 2.361 20 0 DEADHO CC(C)[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001075332380 776551304 /nfs/dbraw/zinc/55/13/04/776551304.db2.gz ATTMVTRKHHILGR-CVEARBPZSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C ZINC001075332383 776551851 /nfs/dbraw/zinc/55/18/51/776551851.db2.gz ATTMVTRKHHILGR-JKSUJKDBSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC2(C[NH2+]CC3CCC3)CC2)C1 ZINC001167232839 776786080 /nfs/dbraw/zinc/78/60/80/776786080.db2.gz RSYHFYCYEOXAPJ-HNNXBMFYSA-N 1 3 307.482 2.004 20 0 DEADHO CCCCC[NH2+]CC1(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001167233051 776786471 /nfs/dbraw/zinc/78/64/71/776786471.db2.gz ZKONBGRZCLYJQE-MRXNPFEDSA-N 1 3 309.498 2.395 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCC2)C1 ZINC001104812532 778193460 /nfs/dbraw/zinc/19/34/60/778193460.db2.gz RRWDROTXODFXPT-NVXWUHKLSA-N 1 3 309.498 2.203 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC(C)C)C1 ZINC001104938700 778266712 /nfs/dbraw/zinc/26/67/12/778266712.db2.gz BOXSGJRPMFIXBF-IAGOWNOFSA-N 1 3 311.514 2.449 20 0 DEADHO CCN(CC)CC(=O)NCCC1=CC[N@H+](CC2CCC2)CC1 ZINC001161504072 778505045 /nfs/dbraw/zinc/50/50/45/778505045.db2.gz AGRIVMIMFPZMBD-UHFFFAOYSA-N 1 3 307.482 2.267 20 0 DEADHO CCN(CC)CC(=O)NCCC1=CC[N@@H+](CC2CCC2)CC1 ZINC001161504072 778505054 /nfs/dbraw/zinc/50/50/54/778505054.db2.gz AGRIVMIMFPZMBD-UHFFFAOYSA-N 1 3 307.482 2.267 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]CCF)CCCCC1 ZINC001115563426 778571192 /nfs/dbraw/zinc/57/11/92/778571192.db2.gz UITXIVWTMFGUBV-OAHLLOKOSA-N 1 3 313.461 2.239 20 0 DEADHO CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001112529630 778606401 /nfs/dbraw/zinc/60/64/01/778606401.db2.gz IINAZAWVVXVRMC-AOIWGVFYSA-N 1 3 321.509 2.347 20 0 DEADHO CC[NH+](CC)CCC[C@@H](C)N1CCN(c2cccnn2)CC1 ZINC001167827569 778673121 /nfs/dbraw/zinc/67/31/21/778673121.db2.gz XOQWDLJXWCEEFE-MRXNPFEDSA-N 1 3 305.470 2.109 20 0 DEADHO CC[NH+](CC)CCC[C@H](C)N1CCN(c2ccncn2)CC1 ZINC001167840747 778700890 /nfs/dbraw/zinc/70/08/90/778700890.db2.gz IGGGMBODLHXCLK-INIZCTEOSA-N 1 3 305.470 2.109 20 0 DEADHO COC(=O)[C@@H](CCC[NH3+])Nc1ccc(F)c(CN2CCCC2)c1 ZINC001167901464 778767678 /nfs/dbraw/zinc/76/76/78/778767678.db2.gz MJQPIOZWTJBJHS-MRXNPFEDSA-N 1 3 323.412 2.114 20 0 DEADHO CC(C)=CCN1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001075784627 779232628 /nfs/dbraw/zinc/23/26/28/779232628.db2.gz BFJCPOJSOAEVIM-RCCFBDPRSA-N 1 3 319.493 2.358 20 0 DEADHO CC(C)=CCN1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001075784627 779232634 /nfs/dbraw/zinc/23/26/34/779232634.db2.gz BFJCPOJSOAEVIM-RCCFBDPRSA-N 1 3 319.493 2.358 20 0 DEADHO CC(C)=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001075784627 779232637 /nfs/dbraw/zinc/23/26/37/779232637.db2.gz BFJCPOJSOAEVIM-RCCFBDPRSA-N 1 3 319.493 2.358 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001075784627 779232644 /nfs/dbraw/zinc/23/26/44/779232644.db2.gz BFJCPOJSOAEVIM-RCCFBDPRSA-N 1 3 319.493 2.358 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC([N@H+](C)CC2CCCC2)CC1)C1CC1 ZINC000985467016 779848426 /nfs/dbraw/zinc/84/84/26/779848426.db2.gz GEYQTJABAZXXEM-SFHVURJKSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC([N@@H+](C)CC2CCCC2)CC1)C1CC1 ZINC000985467016 779848431 /nfs/dbraw/zinc/84/84/31/779848431.db2.gz GEYQTJABAZXXEM-SFHVURJKSA-N 1 3 321.509 2.440 20 0 DEADHO Oc1ccc(CN2CCC(COCC[NH+]3CCCC3)CC2)nc1 ZINC001144253430 790827988 /nfs/dbraw/zinc/82/79/88/790827988.db2.gz XJHJMHRIRMNCMC-UHFFFAOYSA-N 1 3 319.449 2.112 20 0 DEADHO CC[NH2+]CC1(CCNC(=O)c2ccccc2CN(C)C)CC1 ZINC001168326774 780842877 /nfs/dbraw/zinc/84/28/77/780842877.db2.gz IXRXPEXZFNRQDR-UHFFFAOYSA-N 1 3 303.450 2.258 20 0 DEADHO CC(C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001076323902 781216692 /nfs/dbraw/zinc/21/66/92/781216692.db2.gz JYYBGAMEGUTRGA-YESZJQIVSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001076323902 781216698 /nfs/dbraw/zinc/21/66/98/781216698.db2.gz JYYBGAMEGUTRGA-YESZJQIVSA-N 1 3 307.482 2.192 20 0 DEADHO COC(=O)Cc1cccc(C[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC001168369138 781579610 /nfs/dbraw/zinc/57/96/10/781579610.db2.gz XUBVCCYLDJPZDY-UHFFFAOYSA-N 1 3 316.445 2.366 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCC[NH2+]CCCCC(F)(F)F ZINC001127067148 781713230 /nfs/dbraw/zinc/71/32/30/781713230.db2.gz XCIBUGYULNUDLM-CYBMUJFWSA-N 1 3 323.403 2.298 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC2CCCC2)[C@H](C)C1 ZINC001106907978 783369512 /nfs/dbraw/zinc/36/95/12/783369512.db2.gz KOYYOXMKQWHNAD-NVXWUHKLSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000948244226 783390978 /nfs/dbraw/zinc/39/09/78/783390978.db2.gz FYMQQMHQXLUHIJ-SJORKVTESA-N 1 3 307.482 2.360 20 0 DEADHO CC(C)=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000948244226 783390982 /nfs/dbraw/zinc/39/09/82/783390982.db2.gz FYMQQMHQXLUHIJ-SJORKVTESA-N 1 3 307.482 2.360 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC001085284681 783618605 /nfs/dbraw/zinc/61/86/05/783618605.db2.gz HEKQQHZBVUZRJJ-ZACQAIPSSA-N 1 3 307.482 2.286 20 0 DEADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2CCCC2CCC2)CC[N@@H+]1C ZINC001085605704 783875839 /nfs/dbraw/zinc/87/58/39/783875839.db2.gz QTENVBQYRWOCMD-BPQIPLTHSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2CCCC2CCC2)CC[N@H+]1C ZINC001085605704 783875847 /nfs/dbraw/zinc/87/58/47/783875847.db2.gz QTENVBQYRWOCMD-BPQIPLTHSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C[C@H]1CCN1CC1CC1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001085639855 783918271 /nfs/dbraw/zinc/91/82/71/783918271.db2.gz XRJMFEFGYRCDNO-MSOLQXFVSA-N 1 3 319.493 2.336 20 0 DEADHO CN(C[C@H]1CCN1CC1CC1)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001085639855 783918276 /nfs/dbraw/zinc/91/82/76/783918276.db2.gz XRJMFEFGYRCDNO-MSOLQXFVSA-N 1 3 319.493 2.336 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H]2CCN2CC2CC2)C1 ZINC001085778904 784066678 /nfs/dbraw/zinc/06/66/78/784066678.db2.gz JUFGUYZEGBYLCK-DLBZAZTESA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@H]2CCN2CC2CC2)C1 ZINC001085778904 784066686 /nfs/dbraw/zinc/06/66/86/784066686.db2.gz JUFGUYZEGBYLCK-DLBZAZTESA-N 1 3 307.482 2.051 20 0 DEADHO CCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001085778797 784067291 /nfs/dbraw/zinc/06/72/91/784067291.db2.gz HRCGEVSGGTYOCV-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001085778797 784067296 /nfs/dbraw/zinc/06/72/96/784067296.db2.gz HRCGEVSGGTYOCV-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO CN(C[C@H]1CCN1CC1CC1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085875978 784166850 /nfs/dbraw/zinc/16/68/50/784166850.db2.gz NSGGPSKMAVBLOG-GOSISDBHSA-N 1 3 315.461 2.305 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC000967923997 784178160 /nfs/dbraw/zinc/17/81/60/784178160.db2.gz DMBKHYDYNWYNPN-IAGOWNOFSA-N 1 3 319.493 2.242 20 0 DEADHO CC(C)=CCN1CC[C@@H](C)[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968149896 784237093 /nfs/dbraw/zinc/23/70/93/784237093.db2.gz GIIBXULIMYLDQS-WBVHZDCISA-N 1 3 307.482 2.121 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CC2)C1 ZINC001086084651 784393297 /nfs/dbraw/zinc/39/32/97/784393297.db2.gz ZOYRVSLCHLHZTQ-IXDOHACOSA-N 1 3 307.482 2.144 20 0 DEADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cc1 ZINC000968912787 784646868 /nfs/dbraw/zinc/64/68/68/784646868.db2.gz RSJWHEDCNLNWSY-QZTJIDSGSA-N 1 3 315.461 2.026 20 0 DEADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)cs1 ZINC000968926345 784654043 /nfs/dbraw/zinc/65/40/43/784654043.db2.gz BXVKFAKZAZFJKA-OAHLLOKOSA-N 1 3 321.490 2.231 20 0 DEADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cs1 ZINC000968990086 784682733 /nfs/dbraw/zinc/68/27/33/784682733.db2.gz RCVQNZQETOMIIO-CVEARBPZSA-N 1 3 323.506 2.333 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1)N(C)C ZINC000969074495 784716495 /nfs/dbraw/zinc/71/64/95/784716495.db2.gz GSARCBPZENWDFT-HZPDHXFCSA-N 1 3 323.868 2.371 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H](CO)Cc1ccc(Cl)cc1)C2 ZINC001169098384 785031726 /nfs/dbraw/zinc/03/17/26/785031726.db2.gz GVMNYSUHFQQBBP-WCXIOVBPSA-N 1 3 308.853 2.458 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H](CO)Cc1ccc(Cl)cc1)C2 ZINC001169098384 785031731 /nfs/dbraw/zinc/03/17/31/785031731.db2.gz GVMNYSUHFQQBBP-WCXIOVBPSA-N 1 3 308.853 2.458 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(c3ccc(O)cc3)CC1)C2 ZINC001169125633 785047124 /nfs/dbraw/zinc/04/71/24/785047124.db2.gz KGBQFTXCQPOYHI-BJWYYQGGSA-N 1 3 301.434 2.139 20 0 DEADHO CC(C)C(=O)N1CCC[C@]12CCN([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169136830 785053363 /nfs/dbraw/zinc/05/33/63/785053363.db2.gz AGRSMDDFKZHSNI-VUHPKUFZSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)C(=O)N1CCC[C@]12CCN([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169136830 785053373 /nfs/dbraw/zinc/05/33/73/785053373.db2.gz AGRSMDDFKZHSNI-VUHPKUFZSA-N 1 3 319.493 2.335 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1nc(C(F)(F)F)c3c1CCNC3)C2 ZINC001169153301 785070361 /nfs/dbraw/zinc/07/03/61/785070361.db2.gz IWCSDVBHWAOXAY-URLYPYJESA-N 1 3 314.355 2.345 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1nc(C(F)(F)F)c3c1CCNC3)C2 ZINC001169153301 785070367 /nfs/dbraw/zinc/07/03/67/785070367.db2.gz IWCSDVBHWAOXAY-URLYPYJESA-N 1 3 314.355 2.345 20 0 DEADHO O=C(N[C@H]1CCC[N@H+](CC2CCC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001008042004 785086209 /nfs/dbraw/zinc/08/62/09/785086209.db2.gz AHGJUIANYKMLDF-ZWKOTPCHSA-N 1 3 319.493 2.242 20 0 DEADHO O=C(N[C@H]1CCC[N@@H+](CC2CCC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001008042004 785086218 /nfs/dbraw/zinc/08/62/18/785086218.db2.gz AHGJUIANYKMLDF-ZWKOTPCHSA-N 1 3 319.493 2.242 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001008161521 785123672 /nfs/dbraw/zinc/12/36/72/785123672.db2.gz HQBCQWJQZNSDKY-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001008161521 785123675 /nfs/dbraw/zinc/12/36/75/785123675.db2.gz HQBCQWJQZNSDKY-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO NCc1ccc2c(n1)N(c1ccc([C@H]3CCC[NH2+]3)cn1)CCC2 ZINC001169585023 785264466 /nfs/dbraw/zinc/26/44/66/785264466.db2.gz XPIRMNVKOYCPRJ-MRXNPFEDSA-N 1 3 309.417 2.444 20 0 DEADHO C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CCCN(CCCF)C1 ZINC001009628613 785494814 /nfs/dbraw/zinc/49/48/14/785494814.db2.gz QIETYBMGHFUDBL-INIZCTEOSA-N 1 3 321.440 2.302 20 0 DEADHO CN(C)C1(C(=O)NCC[NH2+]CC[C@H]2CCCC2(F)F)CCC1 ZINC001129358957 785503465 /nfs/dbraw/zinc/50/34/65/785503465.db2.gz ZNWXVNSWCDFWHZ-CYBMUJFWSA-N 1 3 317.424 2.002 20 0 DEADHO CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCCN1CC)C2 ZINC001112585929 786164260 /nfs/dbraw/zinc/16/42/60/786164260.db2.gz ZWHGCCWCGJJNCU-SCTDSRPQSA-N 1 3 321.509 2.489 20 0 DEADHO Cc1cccc(Cl)c1CNCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129442738 787215271 /nfs/dbraw/zinc/21/52/71/787215271.db2.gz FAKPFBXTFQDJDL-INIZCTEOSA-N 1 3 323.868 2.194 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+]CCNC(=O)CN(C)C2CCC2)c1 ZINC001129535676 787225270 /nfs/dbraw/zinc/22/52/70/787225270.db2.gz XXRGGIZZWQBCLI-OAHLLOKOSA-N 1 3 303.450 2.246 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+]C/C=C\c1ccc(Cl)cc1)N(C)C ZINC001130203105 787314111 /nfs/dbraw/zinc/31/41/11/787314111.db2.gz DRDVIFKPQQWEKF-OGZRUICASA-N 1 3 323.868 2.399 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+][C@H]1CCCc2ccccc21)N(C)C ZINC001130205767 787315360 /nfs/dbraw/zinc/31/53/60/787315360.db2.gz VVTGWBJRGPASLQ-DLBZAZTESA-N 1 3 303.450 2.110 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC2CC2)C1 ZINC001132153963 787946203 /nfs/dbraw/zinc/94/62/03/787946203.db2.gz VKKNHHAMNXXYDD-ZBFHGGJFSA-N 1 3 309.498 2.486 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCC2CC2)C1 ZINC001132153963 787946212 /nfs/dbraw/zinc/94/62/12/787946212.db2.gz VKKNHHAMNXXYDD-ZBFHGGJFSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)=CCN1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132240333 787992132 /nfs/dbraw/zinc/99/21/32/787992132.db2.gz FKLHOIUDQZGMGN-HOTGVXAUSA-N 1 3 307.482 2.264 20 0 DEADHO C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CCC1CC1 ZINC001132894204 788221019 /nfs/dbraw/zinc/22/10/19/788221019.db2.gz YYZFNNPBQFUDON-DOTOQJQBSA-N 1 3 321.509 2.345 20 0 DEADHO CCCN(CCC[NH+](C)C)Cc1ccc(-n2ccnn2)cc1 ZINC001137369710 788331147 /nfs/dbraw/zinc/33/11/47/788331147.db2.gz UGNVXFOPKGAAFV-UHFFFAOYSA-N 1 3 301.438 2.431 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC2CCC2)C1 ZINC001133345374 788376078 /nfs/dbraw/zinc/37/60/78/788376078.db2.gz BHDKTAFMSKLJMF-DOTOQJQBSA-N 1 3 309.498 2.201 20 0 DEADHO [NH3+]CCCCN1CCN([C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170679993 788377618 /nfs/dbraw/zinc/37/76/18/788377618.db2.gz FMDXFZAFCFRKJK-MRXNPFEDSA-N 1 3 323.431 2.179 20 0 DEADHO CC(C)[C@H](C(=O)NCC[NH2+]CC/C=C/c1ccccc1)N(C)C ZINC001133419490 788409698 /nfs/dbraw/zinc/40/96/98/788409698.db2.gz PKJMATSRFOUQRZ-RXNMKEHESA-N 1 3 317.477 2.382 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(C)C)C1 ZINC001086711793 788600703 /nfs/dbraw/zinc/60/07/03/788600703.db2.gz BLYLJLULBZCYJE-GVDBMIGSSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]Cc1ccc(Cl)s1 ZINC001133833851 788627023 /nfs/dbraw/zinc/62/70/23/788627023.db2.gz HQOZOOHTEJKCMJ-NSHDSACASA-N 1 3 315.870 2.092 20 0 DEADHO Cc1cc(C[NH2+]CCNC(=O)CN2CCC[C@H]2C)c(C)s1 ZINC001133833681 788627312 /nfs/dbraw/zinc/62/73/12/788627312.db2.gz CGPKHHIJOASXBB-GFCCVEGCSA-N 1 3 309.479 2.055 20 0 DEADHO Cc1cc(C[NH2+]CCNC(=O)CN2CCC[C@@H]2C)c(C)s1 ZINC001133833682 788627541 /nfs/dbraw/zinc/62/75/41/788627541.db2.gz CGPKHHIJOASXBB-LBPRGKRZSA-N 1 3 309.479 2.055 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001133846009 788638376 /nfs/dbraw/zinc/63/83/76/788638376.db2.gz ROTBNYDHPWQROQ-OAHLLOKOSA-N 1 3 309.498 2.250 20 0 DEADHO C[C@H]([NH2+]CCNC(=O)CN1CC[C@@H](C)C1)c1cccc(Cl)c1 ZINC001133846015 788638604 /nfs/dbraw/zinc/63/86/04/788638604.db2.gz RQKNFXSAUPVPNW-KGLIPLIRSA-N 1 3 323.868 2.449 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[NH2+]CC/C=C\c2ccccc2)C1 ZINC001133845868 788638665 /nfs/dbraw/zinc/63/86/65/788638665.db2.gz OYWDHTDIGGWMBV-OOYWPUHTSA-N 1 3 315.461 2.138 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133894233 788661896 /nfs/dbraw/zinc/66/18/96/788661896.db2.gz YUMGSEHTNNVTCX-INIZCTEOSA-N 1 3 317.477 2.494 20 0 DEADHO CN(CC(=O)NCC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)CC(C)(C)C ZINC001133905983 788666054 /nfs/dbraw/zinc/66/60/54/788666054.db2.gz LSKDAZNYUWMJDD-OAGGEKHMSA-N 1 3 309.498 2.106 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+]CCc1cccs1 ZINC001134767316 789070438 /nfs/dbraw/zinc/07/04/38/789070438.db2.gz VTBHYOIANAUTNZ-MRXNPFEDSA-N 1 3 323.506 2.259 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccnc1 ZINC001134774243 789076174 /nfs/dbraw/zinc/07/61/74/789076174.db2.gz WUIBDSJJLNWWBS-CABCVRRESA-N 1 3 320.481 2.185 20 0 DEADHO C[NH+](C)Cc1ccc(C(=O)NCCNCc2ccsc2)cc1 ZINC001135337313 789293280 /nfs/dbraw/zinc/29/32/80/789293280.db2.gz ZPVDQDVBOVWABG-UHFFFAOYSA-N 1 3 317.458 2.329 20 0 DEADHO CCCCCCN(C)CC(=O)NCC[NH2+]CCC(F)(F)F ZINC001135437764 789343177 /nfs/dbraw/zinc/34/31/77/789343177.db2.gz WYVDWFNYGXOTLG-UHFFFAOYSA-N 1 3 311.392 2.157 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1c(C)noc1C ZINC001135744274 789475821 /nfs/dbraw/zinc/47/58/21/789475821.db2.gz YNWBAWYYQFABMK-STQMWFEESA-N 1 3 324.469 2.006 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001135746135 789476859 /nfs/dbraw/zinc/47/68/59/789476859.db2.gz DPNWDSBUZREBCS-STQMWFEESA-N 1 3 319.440 2.246 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+]Cc1ccc(C)cc1C)N(C)C ZINC001160890122 791227642 /nfs/dbraw/zinc/22/76/42/791227642.db2.gz VJKRDQBCXNVWSI-QGZVFWFLSA-N 1 3 305.466 2.240 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2csc(C)c2)[C@@H]1C)N(C)C ZINC001074710716 791270877 /nfs/dbraw/zinc/27/08/77/791270877.db2.gz DFOARALDEYKFNS-CWRNSKLLSA-N 1 3 323.506 2.476 20 0 DEADHO C[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C)c1ccccc1 ZINC001074803782 791315102 /nfs/dbraw/zinc/31/51/02/791315102.db2.gz NLMLBLWJMUGWOC-UOVPBQLFSA-N 1 3 315.461 2.421 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC(F)(F)F ZINC001146594846 791319486 /nfs/dbraw/zinc/31/94/86/791319486.db2.gz VMOVDUHCKLOSOZ-VXGBXAGGSA-N 1 3 311.392 2.152 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CC3CCCC3)[C@@H]2C)C1 ZINC001074878189 791363606 /nfs/dbraw/zinc/36/36/06/791363606.db2.gz FLOROOZELXFHAM-ZOBUZTSGSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2csc(C)c2)[C@@H]1C)N(C)C ZINC001074885437 791368918 /nfs/dbraw/zinc/36/89/18/791368918.db2.gz DFOARALDEYKFNS-BPUTZDHNSA-N 1 3 323.506 2.476 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCc2ccccc2)[C@@H]1C)N(C)C ZINC001074885693 791369072 /nfs/dbraw/zinc/36/90/72/791369072.db2.gz RUTAHAOTRFYYPZ-SZMVWBNQSA-N 1 3 317.477 2.148 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC2(C1)CC[N@H+](CCC1CC1)C2 ZINC001147810722 791620189 /nfs/dbraw/zinc/62/01/89/791620189.db2.gz MXMYNRYMCJPKSB-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC2(C1)CC[N@@H+](CCC1CC1)C2 ZINC001147810722 791620195 /nfs/dbraw/zinc/62/01/95/791620195.db2.gz MXMYNRYMCJPKSB-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(C)C)C[C@@]2(C)C1 ZINC001091715499 791740196 /nfs/dbraw/zinc/74/01/96/791740196.db2.gz ABPDYJAIGKVRJA-AOIWGVFYSA-N 1 3 321.509 2.297 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(C)C)C[C@@]2(C)C1 ZINC001091715499 791740199 /nfs/dbraw/zinc/74/01/99/791740199.db2.gz ABPDYJAIGKVRJA-AOIWGVFYSA-N 1 3 321.509 2.297 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+]Cc1ccccc1C(C)C ZINC001148643393 791780726 /nfs/dbraw/zinc/78/07/26/791780726.db2.gz YCUCISKULZQVRV-UHFFFAOYSA-N 1 3 305.466 2.358 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](CC1CCCCC1)C2 ZINC001148652212 791781567 /nfs/dbraw/zinc/78/15/67/791781567.db2.gz ZTIHTYHOIWZDDG-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](CC1CCCCC1)C2 ZINC001148652212 791781571 /nfs/dbraw/zinc/78/15/71/791781571.db2.gz ZTIHTYHOIWZDDG-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001086943431 791857867 /nfs/dbraw/zinc/85/78/67/791857867.db2.gz UNZUCSPZKCGMEL-CVEARBPZSA-N 1 3 309.498 2.440 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC ZINC001099097688 792091654 /nfs/dbraw/zinc/09/16/54/792091654.db2.gz CZJDTFGTRSNKAW-CABCVRRESA-N 1 3 315.477 2.293 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC ZINC001099097688 792091664 /nfs/dbraw/zinc/09/16/64/792091664.db2.gz CZJDTFGTRSNKAW-CABCVRRESA-N 1 3 315.477 2.293 20 0 DEADHO CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)CC(C)(C)C ZINC001099526831 792231084 /nfs/dbraw/zinc/23/10/84/792231084.db2.gz BCHIYYWRGBOTQZ-YVSFHVDLSA-N 1 3 321.509 2.153 20 0 DEADHO CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)CC(C)(C)C ZINC001099526831 792231088 /nfs/dbraw/zinc/23/10/88/792231088.db2.gz BCHIYYWRGBOTQZ-YVSFHVDLSA-N 1 3 321.509 2.153 20 0 DEADHO CC[N@H+]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC001093224338 792295144 /nfs/dbraw/zinc/29/51/44/792295144.db2.gz QXSPIPYBTAJUOR-GDBMZVCRSA-N 1 3 303.450 2.066 20 0 DEADHO CC[N@@H+]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC001093224338 792295153 /nfs/dbraw/zinc/29/51/53/792295153.db2.gz QXSPIPYBTAJUOR-GDBMZVCRSA-N 1 3 303.450 2.066 20 0 DEADHO CN(C)[C@@H](C(=O)NCC1CC([NH2+]CCC2CCCC2)C1)C1CC1 ZINC001100408031 792633567 /nfs/dbraw/zinc/63/35/67/792633567.db2.gz RSXQEFAIZXCZAG-VMWRSERWSA-N 1 3 321.509 2.391 20 0 DEADHO CC[C@H](C(=O)NCC1CC([NH2+]CC2CCCCC2)C1)N(C)C ZINC001100443389 792656563 /nfs/dbraw/zinc/65/65/63/792656563.db2.gz FFFRIISRMLMTNB-OFLPRAFFSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)C[NH2+]C1CC(CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001100731849 792817641 /nfs/dbraw/zinc/81/76/41/792817641.db2.gz IXWBNHKGNBAJAX-GTPINHCMSA-N 1 3 309.498 2.391 20 0 DEADHO CCCN(C)CC(=O)NCC1CC([NH2+]Cc2cccc(F)c2)C1 ZINC001100901872 792908048 /nfs/dbraw/zinc/90/80/48/792908048.db2.gz RXDGNVLHRAAUSC-UHFFFAOYSA-N 1 3 321.440 2.152 20 0 DEADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]CC=C(Cl)Cl)C1 ZINC001101036260 792977728 /nfs/dbraw/zinc/97/77/28/792977728.db2.gz LQCIJMORCVPYBP-UHFFFAOYSA-N 1 3 322.280 2.130 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]C/C=C/Cl)N(C)C ZINC001171509443 793118309 /nfs/dbraw/zinc/11/83/09/793118309.db2.gz QISKMEMDOYZNEE-JSPBLOFBSA-N 1 3 303.878 2.344 20 0 DEADHO CC[C@@H](C)C[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101476348 793174298 /nfs/dbraw/zinc/17/42/98/793174298.db2.gz ONNSQSINRPGQIX-NUJGCVRESA-N 1 3 309.498 2.153 20 0 DEADHO CC[C@@H](C)C[N@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101476348 793174303 /nfs/dbraw/zinc/17/43/03/793174303.db2.gz ONNSQSINRPGQIX-NUJGCVRESA-N 1 3 309.498 2.153 20 0 DEADHO CCN1CC[C@H](NC2CC[NH+](C3CCCCC3)CC2)CC1=O ZINC001172031601 793298191 /nfs/dbraw/zinc/29/81/91/793298191.db2.gz JDNJWFUMGJMVHL-INIZCTEOSA-N 1 3 307.482 2.384 20 0 DEADHO CC(C)[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)N1CCCC1 ZINC001172109229 793331405 /nfs/dbraw/zinc/33/14/05/793331405.db2.gz INYOIUZOELPHNR-NXOAAHMSSA-N 1 3 307.482 2.238 20 0 DEADHO CC(C)[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)N1CCCC1 ZINC001172109229 793331414 /nfs/dbraw/zinc/33/14/14/793331414.db2.gz INYOIUZOELPHNR-NXOAAHMSSA-N 1 3 307.482 2.238 20 0 DEADHO CN(C)C1=NOC2(C1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)N3C)CC2 ZINC001172114472 793336364 /nfs/dbraw/zinc/33/63/64/793336364.db2.gz CTSHOOZKLPAASD-ZSHCYNCHSA-N 1 3 320.481 2.132 20 0 DEADHO CC[NH+](CC)CCN1CCN([C@@H](C)CCOCC(C)C)CC1 ZINC001172469894 793425070 /nfs/dbraw/zinc/42/50/70/793425070.db2.gz WACOITRVMLRXSF-SFHVURJKSA-N 1 3 313.530 2.397 20 0 DEADHO [NH3+]CCCCN1CCN([C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172716200 793481130 /nfs/dbraw/zinc/48/11/30/793481130.db2.gz OYXTZPFJCZWYDM-KRWDZBQOSA-N 1 3 307.869 2.164 20 0 DEADHO CC[NH+](CC)C1CCC(N2CC[C@](O)(CF)[C@@H](F)C2)CC1 ZINC001173110003 793580691 /nfs/dbraw/zinc/58/06/91/793580691.db2.gz MQOJDZNWOFTZKQ-CKUJCDMFSA-N 1 3 304.425 2.384 20 0 DEADHO CC[NH+](CC)C1CCC(N2CC(N(C)[C@H]3CCOC3)C2)CC1 ZINC001173115219 793582619 /nfs/dbraw/zinc/58/26/19/793582619.db2.gz ZLZMDTLESNYJJI-JCYILVPMSA-N 1 3 309.498 2.044 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1C ZINC001102525089 793640006 /nfs/dbraw/zinc/64/00/06/793640006.db2.gz KOEMJGDSHSEXNF-NVXWUHKLSA-N 1 3 323.525 2.449 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1C ZINC001102525089 793640011 /nfs/dbraw/zinc/64/00/11/793640011.db2.gz KOEMJGDSHSEXNF-NVXWUHKLSA-N 1 3 323.525 2.449 20 0 DEADHO CC[C@H]1CC[C@H](N2CCC([NH+]3CCC(C(N)=O)CC3)CC2)C1 ZINC001173292762 793661567 /nfs/dbraw/zinc/66/15/67/793661567.db2.gz HSVBVUDZGOMPNZ-YOEHRIQHSA-N 1 3 307.482 2.227 20 0 DEADHO c1nnn([C@H]2CCC[C@H]([NH2+]C3CCN(C4CCCC4)CC3)C2)n1 ZINC001173750420 793835856 /nfs/dbraw/zinc/83/58/56/793835856.db2.gz IHCUOOICUNKKBM-RDJZCZTQSA-N 1 3 318.469 2.153 20 0 DEADHO CN1C(C)(C)CC([NH2+][C@H]2CCC[C@H](n3ncnn3)C2)CC1(C)C ZINC001173757882 793841590 /nfs/dbraw/zinc/84/15/90/793841590.db2.gz PRDWGURVEQGBRB-ZFWWWQNUSA-N 1 3 320.485 2.398 20 0 DEADHO COC(=O)c1ccc(C[C@@H](C)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC001173730406 793847589 /nfs/dbraw/zinc/84/75/89/793847589.db2.gz OBWMMVJJNDKUJG-BEFAXECRSA-N 1 3 316.445 2.432 20 0 DEADHO COC(=O)c1ccc(C[C@@H](C)N2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC001173730406 793847599 /nfs/dbraw/zinc/84/75/99/793847599.db2.gz OBWMMVJJNDKUJG-BEFAXECRSA-N 1 3 316.445 2.432 20 0 DEADHO COC(=O)c1ccc(C[C@H](C)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC001173730408 793848719 /nfs/dbraw/zinc/84/87/19/793848719.db2.gz OBWMMVJJNDKUJG-HNAYVOBHSA-N 1 3 316.445 2.432 20 0 DEADHO COC(=O)c1ccc(C[C@H](C)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC001173730408 793848727 /nfs/dbraw/zinc/84/87/27/793848727.db2.gz OBWMMVJJNDKUJG-HNAYVOBHSA-N 1 3 316.445 2.432 20 0 DEADHO CC(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001103088568 793936124 /nfs/dbraw/zinc/93/61/24/793936124.db2.gz IACYURRXWPSSEC-NXHRZFHOSA-N 1 3 323.525 2.447 20 0 DEADHO CC(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001103088568 793936128 /nfs/dbraw/zinc/93/61/28/793936128.db2.gz IACYURRXWPSSEC-NXHRZFHOSA-N 1 3 323.525 2.447 20 0 DEADHO C[C@@H]1C[N@H+](CCC2CC2)C[C@H]1CCNC(=O)[C@H](C1CC1)N(C)C ZINC001103088108 793936367 /nfs/dbraw/zinc/93/63/67/793936367.db2.gz WAKZHQJMNADYFQ-OLMNPRSZSA-N 1 3 321.509 2.201 20 0 DEADHO C[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1CCNC(=O)[C@H](C1CC1)N(C)C ZINC001103088108 793936375 /nfs/dbraw/zinc/93/63/75/793936375.db2.gz WAKZHQJMNADYFQ-OLMNPRSZSA-N 1 3 321.509 2.201 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCC[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C ZINC001103434339 794089464 /nfs/dbraw/zinc/08/94/64/794089464.db2.gz ZOOCLFUYBXWZCV-JFIYKMOQSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCC[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C ZINC001103434339 794089476 /nfs/dbraw/zinc/08/94/76/794089476.db2.gz ZOOCLFUYBXWZCV-JFIYKMOQSA-N 1 3 321.509 2.345 20 0 DEADHO CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001103495754 794118633 /nfs/dbraw/zinc/11/86/33/794118633.db2.gz RFBZLPUKZNSPBZ-ZACQAIPSSA-N 1 3 309.498 2.343 20 0 DEADHO CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001103495754 794118638 /nfs/dbraw/zinc/11/86/38/794118638.db2.gz RFBZLPUKZNSPBZ-ZACQAIPSSA-N 1 3 309.498 2.343 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)CCCC[NH2+]C/C=C/Cl ZINC001175787811 794289856 /nfs/dbraw/zinc/28/98/56/794289856.db2.gz XMUUCKRUDLWJER-PLWJUESGSA-N 1 3 303.878 2.345 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCCC[NH2+]CC[C@H](C)F ZINC001176352022 794412529 /nfs/dbraw/zinc/41/25/29/794412529.db2.gz YTQBKJCRBJCESC-STQMWFEESA-N 1 3 312.433 2.273 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CCCC[NH2+]C/C=C\Cl ZINC001176352046 794413451 /nfs/dbraw/zinc/41/34/51/794413451.db2.gz ZEPPIXCFOIISBZ-SMYYYNMVSA-N 1 3 312.845 2.278 20 0 DEADHO C[C@H](F)CC[NH2+]CCCNC(=O)c1ccccc1CN(C)C ZINC001176948254 794538251 /nfs/dbraw/zinc/53/82/51/794538251.db2.gz MVSMIRRANAYNOK-AWEZNQCLSA-N 1 3 309.429 2.206 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(F)cc1 ZINC001176986142 794547512 /nfs/dbraw/zinc/54/75/12/794547512.db2.gz FYRPHPIWTFTSGV-KRWDZBQOSA-N 1 3 321.440 2.296 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccccc1C ZINC001176986274 794547560 /nfs/dbraw/zinc/54/75/60/794547560.db2.gz JCOXAYKRDUJZHS-GOSISDBHSA-N 1 3 317.477 2.465 20 0 DEADHO CC(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001112399313 794622167 /nfs/dbraw/zinc/62/21/67/794622167.db2.gz NCRGNAQFHQPRAB-LNLFQRSKSA-N 1 3 321.509 2.201 20 0 DEADHO CC[C@H](C(=O)NCCCCCC[NH2+]CC[C@H](C)F)N(C)C ZINC001178815877 795013915 /nfs/dbraw/zinc/01/39/15/795013915.db2.gz MWHMFYWPIWIPJD-LSDHHAIUSA-N 1 3 303.466 2.341 20 0 DEADHO C[C@H]1[C@@H](NCCF)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001179234071 795080994 /nfs/dbraw/zinc/08/09/94/795080994.db2.gz HIEKAWNCPJGGAF-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](C)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC001179779191 795170081 /nfs/dbraw/zinc/17/00/81/795170081.db2.gz DRAWQNYXMZUAOQ-XIRDDKMYSA-N 1 3 309.498 2.343 20 0 DEADHO CCN(CC)CC(=O)NCCCCCC[NH2+]Cc1cnc(C)o1 ZINC001179850662 795188101 /nfs/dbraw/zinc/18/81/01/795188101.db2.gz JSGVFLCTZIENGJ-UHFFFAOYSA-N 1 3 324.469 2.091 20 0 DEADHO C[C@@H]1CCc2nc(CNCCC[N@H+](C)CCN(C)C)sc2C1 ZINC001118845104 795233058 /nfs/dbraw/zinc/23/30/58/795233058.db2.gz SCDGIPWSHJAPMS-CQSZACIVSA-N 1 3 324.538 2.241 20 0 DEADHO C[C@@H]1CCc2nc(CNCCC[N@@H+](C)CCN(C)C)sc2C1 ZINC001118845104 795233060 /nfs/dbraw/zinc/23/30/60/795233060.db2.gz SCDGIPWSHJAPMS-CQSZACIVSA-N 1 3 324.538 2.241 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CC2CC2)C1 ZINC001120448742 795462574 /nfs/dbraw/zinc/46/25/74/795462574.db2.gz FOJDYNABZRSYEL-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CC2CC2)C1 ZINC001120448742 795462575 /nfs/dbraw/zinc/46/25/75/795462575.db2.gz FOJDYNABZRSYEL-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]C[C@@H](O)c2ccccc2)C[C@H](C)O1 ZINC001120480654 795470186 /nfs/dbraw/zinc/47/01/86/795470186.db2.gz ABMNVDQJYSZURN-SOLBZPMBSA-N 1 3 306.450 2.199 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CC2)C1 ZINC001181440387 795478483 /nfs/dbraw/zinc/47/84/83/795478483.db2.gz FIIURASQDDPWMS-HHXXYDBFSA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC=C(C)C)C1)N(C)C ZINC001181884084 795556113 /nfs/dbraw/zinc/55/61/13/795556113.db2.gz BAVUHXYPIPAYOE-JFIYKMOQSA-N 1 3 309.498 2.367 20 0 DEADHO CN(C)[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CC1CCC1)C2)C1CC1 ZINC001121246058 795607038 /nfs/dbraw/zinc/60/70/38/795607038.db2.gz KRCVNYMZFFMXSU-APUKJBRXSA-N 1 3 319.493 2.144 20 0 DEADHO CC[C@H](C(=O)NC1CC2(C1)CC([NH2+]C/C=C/Cl)C2)N(C)C ZINC001121289509 795613123 /nfs/dbraw/zinc/61/31/23/795613123.db2.gz VUJGWNUWHDLQJV-PJSKGRFASA-N 1 3 313.873 2.096 20 0 DEADHO CCCC[NH2+]C1CC2(CC(NC(=O)CN3CCC[C@H]3C)C2)C1 ZINC001121767385 795685024 /nfs/dbraw/zinc/68/50/24/795685024.db2.gz DLAFLNZDEFJTQP-XOGYLQAWSA-N 1 3 307.482 2.288 20 0 DEADHO CC(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001182517420 795696898 /nfs/dbraw/zinc/69/68/98/795696898.db2.gz SXFKMPKKSNBLJN-JFIYKMOQSA-N 1 3 311.514 2.303 20 0 DEADHO CCCC[NH2+]C[C@]1(C)CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001182630186 795714677 /nfs/dbraw/zinc/71/46/77/795714677.db2.gz RLFBWQCCTVVPOZ-JFIYKMOQSA-N 1 3 309.498 2.203 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CC(C)C2)C1)N(C)C ZINC001182637966 795716854 /nfs/dbraw/zinc/71/68/54/795716854.db2.gz SWURWOVJBBADIA-SODAIBEXSA-N 1 3 323.525 2.447 20 0 DEADHO CCCN(C)CC(=O)NC1CC2(C1)CC([NH2+]CCC1CC1)C2 ZINC001122106313 795726657 /nfs/dbraw/zinc/72/66/57/795726657.db2.gz FGYBRNIFPDLETH-UHFFFAOYSA-N 1 3 307.482 2.145 20 0 DEADHO CN1CCC[C@](C)(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001183575995 795895622 /nfs/dbraw/zinc/89/56/22/795895622.db2.gz VGYHKYJEILIOPS-MJGOQNOKSA-N 1 3 315.461 2.109 20 0 DEADHO CN1CCC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001183575995 795895630 /nfs/dbraw/zinc/89/56/30/795895630.db2.gz VGYHKYJEILIOPS-MJGOQNOKSA-N 1 3 315.461 2.109 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001183764712 795926264 /nfs/dbraw/zinc/92/62/64/795926264.db2.gz FBPQWSBJFRBUKZ-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](F)CN[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001184628782 796095547 /nfs/dbraw/zinc/09/55/47/796095547.db2.gz QMHIYYGWQYPQAT-HUUCEWRRSA-N 1 3 313.461 2.190 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H](C[NH2+]CCCF)[C@@H](C)C1 ZINC001184714378 796109471 /nfs/dbraw/zinc/10/94/71/796109471.db2.gz YACMFPRMHYBOTE-GJZGRUSLSA-N 1 3 315.477 2.151 20 0 DEADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1ncccc1C1CCC1 ZINC001185297490 796232237 /nfs/dbraw/zinc/23/22/37/796232237.db2.gz YHVWFPJDOIQWLM-UHFFFAOYSA-N 1 3 317.437 2.027 20 0 DEADHO C[C@@H](N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)c1ccccc1F ZINC001185401541 796250019 /nfs/dbraw/zinc/25/00/19/796250019.db2.gz RZOYBJWEHLXASS-ZIAGYGMSSA-N 1 3 307.413 2.029 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001185651260 796299370 /nfs/dbraw/zinc/29/93/70/796299370.db2.gz VNKXJDBAQDCZFP-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001185659933 796301203 /nfs/dbraw/zinc/30/12/03/796301203.db2.gz UCRREFXAVKTUBJ-DOTOQJQBSA-N 1 3 307.482 2.099 20 0 DEADHO CCCCCC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001185676222 796308277 /nfs/dbraw/zinc/30/82/77/796308277.db2.gz PQGKTBRAKRHLRB-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CC1CC(C[NH2+][C@@H]2CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001185724214 796309349 /nfs/dbraw/zinc/30/93/49/796309349.db2.gz ULBBOGWTDJJRKQ-UYSNPLJNSA-N 1 3 309.498 2.201 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)sc2C)C1 ZINC001186451212 796403199 /nfs/dbraw/zinc/40/31/99/796403199.db2.gz CQPKCPPLFTXATN-MRXNPFEDSA-N 1 3 323.506 2.397 20 0 DEADHO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2Cc1ccc(O)cc1Cl ZINC001140086196 796476227 /nfs/dbraw/zinc/47/62/27/796476227.db2.gz NRRSXBAPJKHYRE-DLBZAZTESA-N 1 3 323.868 2.256 20 0 DEADHO CCCCC[NH2+]C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001203046900 796539496 /nfs/dbraw/zinc/53/94/96/796539496.db2.gz JGKJFMNEPXMIRG-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)C[N@H+]1CC=C(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001161219668 796693278 /nfs/dbraw/zinc/69/32/78/796693278.db2.gz KJICNCUHHRHDEC-MRXNPFEDSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)C[N@@H+]1CC=C(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001161219668 796693280 /nfs/dbraw/zinc/69/32/80/796693280.db2.gz KJICNCUHHRHDEC-MRXNPFEDSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)=CC[NH2+]CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001205457891 796867988 /nfs/dbraw/zinc/86/79/88/796867988.db2.gz VALWCLMWOWSHQZ-UHFFFAOYSA-N 1 3 307.482 2.265 20 0 DEADHO CC[C@@H](C)C[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001205461473 796869078 /nfs/dbraw/zinc/86/90/78/796869078.db2.gz KMTSEDZVQMGBPP-RHSMWYFYSA-N 1 3 309.498 2.201 20 0 DEADHO CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190645044 797047109 /nfs/dbraw/zinc/04/71/09/797047109.db2.gz POZGIPFHXZMUPG-FYCOFBDGSA-N 1 3 307.482 2.360 20 0 DEADHO CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190645044 797047110 /nfs/dbraw/zinc/04/71/10/797047110.db2.gz POZGIPFHXZMUPG-FYCOFBDGSA-N 1 3 307.482 2.360 20 0 DEADHO CN(C/C=C\Cl)[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191162989 797149529 /nfs/dbraw/zinc/14/95/29/797149529.db2.gz SSCSSXRCRUKBHT-DQWBNOTDSA-N 1 3 318.808 2.233 20 0 DEADHO CC/C=C\CC[NH2+]CCNC(=O)c1ccccc1CN(C)C ZINC001152393094 797182638 /nfs/dbraw/zinc/18/26/38/797182638.db2.gz BGQNVYWHNDBPEX-WAYWQWQTSA-N 1 3 303.450 2.424 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001152459079 797191177 /nfs/dbraw/zinc/19/11/77/797191177.db2.gz YEDPJZQFRVMSNZ-WMLDXEAASA-N 1 3 321.440 2.467 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1ccccc1 ZINC001152459099 797191268 /nfs/dbraw/zinc/19/12/68/797191268.db2.gz YQKVQVWPGFONDK-RDJZCZTQSA-N 1 3 303.450 2.328 20 0 DEADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)cs1 ZINC001192047411 797303837 /nfs/dbraw/zinc/30/38/37/797303837.db2.gz RWUOLOXWZNOOSN-MRXNPFEDSA-N 1 3 323.506 2.431 20 0 DEADHO CN(C/C=C/c1ccccc1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192144703 797332768 /nfs/dbraw/zinc/33/27/68/797332768.db2.gz VNNJLHPFOIHJOT-RUJXFNLJSA-N 1 3 315.461 2.184 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2cccc(C)c2)C1 ZINC001192957501 797474870 /nfs/dbraw/zinc/47/48/70/797474870.db2.gz CDRUXJAHPKXEBV-SFHVURJKSA-N 1 3 317.477 2.370 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(C)c2)C1 ZINC001192957501 797474871 /nfs/dbraw/zinc/47/48/71/797474871.db2.gz CDRUXJAHPKXEBV-SFHVURJKSA-N 1 3 317.477 2.370 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC001193278034 797537217 /nfs/dbraw/zinc/53/72/17/797537217.db2.gz CEZUYNIJQBROCT-QGZVFWFLSA-N 1 3 321.440 2.200 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC001193278034 797537220 /nfs/dbraw/zinc/53/72/20/797537220.db2.gz CEZUYNIJQBROCT-QGZVFWFLSA-N 1 3 321.440 2.200 20 0 DEADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)OC(C)C)[C@H](C)C1 ZINC001193648648 797603231 /nfs/dbraw/zinc/60/32/31/797603231.db2.gz HQLGBHNUUHIHGA-HZPDHXFCSA-N 1 3 314.470 2.055 20 0 DEADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)OC(C)C)[C@H](C)C1 ZINC001193648648 797603233 /nfs/dbraw/zinc/60/32/33/797603233.db2.gz HQLGBHNUUHIHGA-HZPDHXFCSA-N 1 3 314.470 2.055 20 0 DEADHO CCc1coc(CNc2cccc(N3CCC([NH3+])CC3)n2)n1 ZINC001154779803 797608046 /nfs/dbraw/zinc/60/80/46/797608046.db2.gz PZBOJEZEVQHZAZ-UHFFFAOYSA-N 1 3 301.394 2.172 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CCCCCF)N(C)C ZINC001155288898 797726404 /nfs/dbraw/zinc/72/64/04/797726404.db2.gz FNAUTMJDIMTQDZ-CABCVRRESA-N 1 3 303.466 2.293 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCCCCF)N(C)C ZINC001155288898 797726408 /nfs/dbraw/zinc/72/64/08/797726408.db2.gz FNAUTMJDIMTQDZ-CABCVRRESA-N 1 3 303.466 2.293 20 0 DEADHO [NH3+][C@H]1Cc2ccccc2N(c2cc(Cl)nc3c2CCNC3)C1 ZINC001155298424 797728390 /nfs/dbraw/zinc/72/83/90/797728390.db2.gz FPUYQGKVLFYTOP-LBPRGKRZSA-N 1 3 314.820 2.402 20 0 DEADHO CN(C)C1(CNc2nc3nc[nH]c3cc2Cl)CC[NH+](C)CC1 ZINC001156184910 797941949 /nfs/dbraw/zinc/94/19/49/797941949.db2.gz IRGKIFAKTPMMII-UHFFFAOYSA-N 1 3 322.844 2.049 20 0 DEADHO NCc1cc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)ncn1 ZINC001156319067 797973085 /nfs/dbraw/zinc/97/30/85/797973085.db2.gz UXHUSYZYTXPJTC-KBAYOESNSA-N 1 3 323.444 2.258 20 0 DEADHO NCc1cc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)ncn1 ZINC001156319067 797973087 /nfs/dbraw/zinc/97/30/87/797973087.db2.gz UXHUSYZYTXPJTC-KBAYOESNSA-N 1 3 323.444 2.258 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccccc1 ZINC001156525845 798022188 /nfs/dbraw/zinc/02/21/88/798022188.db2.gz ZXDVNBMNAPTHHM-MRXNPFEDSA-N 1 3 305.466 2.355 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1 ZINC001156525845 798022195 /nfs/dbraw/zinc/02/21/95/798022195.db2.gz ZXDVNBMNAPTHHM-MRXNPFEDSA-N 1 3 305.466 2.355 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[N@H+](CC)CCCCCF ZINC001156529540 798022351 /nfs/dbraw/zinc/02/23/51/798022351.db2.gz DIYJPJNUHZWZPB-OAHLLOKOSA-N 1 3 303.466 2.295 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[N@@H+](CC)CCCCCF ZINC001156529540 798022358 /nfs/dbraw/zinc/02/23/58/798022358.db2.gz DIYJPJNUHZWZPB-OAHLLOKOSA-N 1 3 303.466 2.295 20 0 DEADHO CCN(Cc1csc(C)c1)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001156890561 798102633 /nfs/dbraw/zinc/10/26/33/798102633.db2.gz OYEHTWOJNVVMAO-CJNGLKHVSA-N 1 3 323.506 2.335 20 0 DEADHO CCN(Cc1csc(C)c1)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001156890561 798102637 /nfs/dbraw/zinc/10/26/37/798102637.db2.gz OYEHTWOJNVVMAO-CJNGLKHVSA-N 1 3 323.506 2.335 20 0 DEADHO CN(C(=O)[C@@H](N)CCC[NH3+])C(c1ccccc1)c1ccccc1 ZINC001157498057 798218015 /nfs/dbraw/zinc/21/80/15/798218015.db2.gz WNTSBMKYDRHTBN-KRWDZBQOSA-N 1 3 311.429 2.301 20 0 DEADHO CCC[N@H+]1C[C@H]2CN(c3cc(Cl)nc4c3CCNC4)C[C@H]2C1 ZINC001157690411 798258791 /nfs/dbraw/zinc/25/87/91/798258791.db2.gz DWUDSKFLYNMRRC-BETUJISGSA-N 1 3 320.868 2.159 20 0 DEADHO CCC[N@@H+]1C[C@H]2CN(c3cc(Cl)nc4c3CCNC4)C[C@H]2C1 ZINC001157690411 798258797 /nfs/dbraw/zinc/25/87/97/798258797.db2.gz DWUDSKFLYNMRRC-BETUJISGSA-N 1 3 320.868 2.159 20 0 DEADHO CCc1cccc(C[NH2+]CCNC(=O)[C@H]2CCCCN2CC)c1 ZINC001152445224 798322227 /nfs/dbraw/zinc/32/22/27/798322227.db2.gz DWEGSVPQDBVEGU-GOSISDBHSA-N 1 3 317.477 2.329 20 0 DEADHO CC(C)(C)Oc1cccc(N2CCC([N@@H+]3CC[C@H](N)C3)CC2)n1 ZINC001158259824 798368557 /nfs/dbraw/zinc/36/85/57/798368557.db2.gz ACYJBPFQCAEGBK-AWEZNQCLSA-N 1 3 318.465 2.261 20 0 DEADHO CC(C)(C)Oc1cccc(N2CCC([N@H+]3CC[C@H](N)C3)CC2)n1 ZINC001158259824 798368564 /nfs/dbraw/zinc/36/85/64/798368564.db2.gz ACYJBPFQCAEGBK-AWEZNQCLSA-N 1 3 318.465 2.261 20 0 DEADHO CCC[N@@H+]1CCCC[C@H]1c1ccc(-n2nncc2CN)nc1 ZINC001158427155 798405890 /nfs/dbraw/zinc/40/58/90/798405890.db2.gz OBJVKEIYPSZNRV-HNNXBMFYSA-N 1 3 300.410 2.058 20 0 DEADHO CCC[N@H+]1CCCC[C@H]1c1ccc(-n2nncc2CN)nc1 ZINC001158427155 798405893 /nfs/dbraw/zinc/40/58/93/798405893.db2.gz OBJVKEIYPSZNRV-HNNXBMFYSA-N 1 3 300.410 2.058 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]C(C)C)c1ccccc1OC)N(C)C ZINC001198902627 798408865 /nfs/dbraw/zinc/40/88/65/798408865.db2.gz NCPGQMBFNMCCCM-CVEARBPZSA-N 1 3 321.465 2.191 20 0 DEADHO C[C@@H](F)CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001158534385 798423820 /nfs/dbraw/zinc/42/38/20/798423820.db2.gz WIPWOWIYKOPWKC-UKRRQHHQSA-N 1 3 310.417 2.013 20 0 DEADHO C[C@@H](F)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001158534385 798423821 /nfs/dbraw/zinc/42/38/21/798423821.db2.gz WIPWOWIYKOPWKC-UKRRQHHQSA-N 1 3 310.417 2.013 20 0 DEADHO CCc1cc(N(C2CC[NH2+]CC2)C2CCN(C)CC2)nc(C)n1 ZINC001158580619 798433264 /nfs/dbraw/zinc/43/32/64/798433264.db2.gz HADSJLAGPLGBSS-UHFFFAOYSA-N 1 3 317.481 2.000 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159915723 798624963 /nfs/dbraw/zinc/62/49/63/798624963.db2.gz MSHUTHMLWGMGQW-QAPCUYQASA-N 1 3 317.477 2.492 20 0 DEADHO Cc1cccc(C)c1C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159914982 798625272 /nfs/dbraw/zinc/62/52/72/798625272.db2.gz FJWQHSSYCQJSEY-GOSISDBHSA-N 1 3 317.477 2.240 20 0 DEADHO CC/C=C\CC[NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001201066920 798707572 /nfs/dbraw/zinc/70/75/72/798707572.db2.gz TYMJNCUVMYYCGI-PLNGDYQASA-N 1 3 307.482 2.408 20 0 DEADHO CN(CCN1CCCC1)C(=O)[C@H]1C[C@@H](c2ccccc2)CC[NH2+]1 ZINC001160687882 798722440 /nfs/dbraw/zinc/72/24/40/798722440.db2.gz JPCBXBMZLHSUFW-ZWKOTPCHSA-N 1 3 315.461 2.076 20 0 DEADHO CN(CC[NH+]1CCCC1)C(=O)[C@H]1C[C@@H](c2ccccc2)CCN1 ZINC001160687882 798722443 /nfs/dbraw/zinc/72/24/43/798722443.db2.gz JPCBXBMZLHSUFW-ZWKOTPCHSA-N 1 3 315.461 2.076 20 0 DEADHO CC[C@H](C(=O)N1CCC([NH2+]CCCC2CCC2)CC1)N(C)C ZINC001201240835 798724837 /nfs/dbraw/zinc/72/48/37/798724837.db2.gz ZTDYETHEGLNYGD-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+][C@@H]1CCc2ccccc21)N(C)C ZINC001160882942 798755389 /nfs/dbraw/zinc/75/53/89/798755389.db2.gz BNPDZTMJYQZPRT-IAGOWNOFSA-N 1 3 303.450 2.110 20 0 DEADHO CN(C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)[C@@H]1CCc2ccccc21 ZINC001161543763 798881113 /nfs/dbraw/zinc/88/11/13/798881113.db2.gz SEZYABLONVMBSB-IAGOWNOFSA-N 1 3 313.445 2.007 20 0 DEADHO CN(C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)[C@@H]1CCc2ccccc21 ZINC001161543763 798881123 /nfs/dbraw/zinc/88/11/23/798881123.db2.gz SEZYABLONVMBSB-IAGOWNOFSA-N 1 3 313.445 2.007 20 0 DEADHO CN(C(=O)[C@@H](N)CCCC[NH+](C)C)[C@@H]1CCc2ccccc21 ZINC001161543343 798881397 /nfs/dbraw/zinc/88/13/97/798881397.db2.gz PCIGFUIKULZXTA-DLBZAZTESA-N 1 3 303.450 2.192 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001202496466 798987413 /nfs/dbraw/zinc/98/74/13/798987413.db2.gz RWEKGKPPBRLHDG-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)N(CC[NH2+]C(C)C)CCc1ccccc1 ZINC001162986832 799216166 /nfs/dbraw/zinc/21/61/66/799216166.db2.gz AUTQZJXQTQVVLO-UHFFFAOYSA-N 1 3 319.493 2.398 20 0 DEADHO COCC[N@@H+]1CCO[C@@H]2CN(Cc3cc(C)cs3)CC[C@@H]2C1 ZINC001137156260 799220908 /nfs/dbraw/zinc/22/09/08/799220908.db2.gz YTAQZQYLDAKXGC-NVXWUHKLSA-N 1 3 324.490 2.226 20 0 DEADHO COCC[N@H+]1CCO[C@@H]2CN(Cc3cc(C)cs3)CC[C@@H]2C1 ZINC001137156260 799220912 /nfs/dbraw/zinc/22/09/12/799220912.db2.gz YTAQZQYLDAKXGC-NVXWUHKLSA-N 1 3 324.490 2.226 20 0 DEADHO C[C@H](c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221161321 799408491 /nfs/dbraw/zinc/40/84/91/799408491.db2.gz XKYDEQQVDJIKFR-TZMCWYRMSA-N 1 3 309.841 2.188 20 0 DEADHO CN(C)C1(CNc2ccc3ncn(C)c3c2)CC[NH+](C)CC1 ZINC001164212039 799540271 /nfs/dbraw/zinc/54/02/71/799540271.db2.gz WBAMTKBEPUAJKM-UHFFFAOYSA-N 1 3 301.438 2.011 20 0 DEADHO CC[N@H+]([C@@H]1CCOC1)C1CCN(c2cccc(N(C)C)n2)CC1 ZINC001165107579 799652482 /nfs/dbraw/zinc/65/24/82/799652482.db2.gz IRAACGBHLUHPPC-MRXNPFEDSA-N 1 3 318.465 2.227 20 0 DEADHO CC[N@@H+]([C@@H]1CCOC1)C1CCN(c2cccc(N(C)C)n2)CC1 ZINC001165107579 799652484 /nfs/dbraw/zinc/65/24/84/799652484.db2.gz IRAACGBHLUHPPC-MRXNPFEDSA-N 1 3 318.465 2.227 20 0 DEADHO CC(C)=CC[NH2+]CC1(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001165464617 799734592 /nfs/dbraw/zinc/73/45/92/799734592.db2.gz IGAQYPDORGWPIC-UHFFFAOYSA-N 1 3 307.482 2.313 20 0 DEADHO CC[C@H](F)C[NH2+]CC1(CCNC(=O)C(C)(C)N(C)CC)CC1 ZINC001165809528 799777603 /nfs/dbraw/zinc/77/76/03/799777603.db2.gz JHHRCTHUHJRGLW-AWEZNQCLSA-N 1 3 315.477 2.341 20 0 DEADHO Cc1ccccc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110981053 799807962 /nfs/dbraw/zinc/80/79/62/799807962.db2.gz HJBAHCXSNJXWGF-KURKYZTESA-N 1 3 315.461 2.168 20 0 DEADHO CCc1cccc(C[NH2+]CCCNC(=O)CN2CCC[C@H]2C)c1 ZINC001166633499 799907295 /nfs/dbraw/zinc/90/72/95/799907295.db2.gz GTUWGJAAVDZTLU-MRXNPFEDSA-N 1 3 317.477 2.329 20 0 DEADHO C[C@H]([NH2+]CCCNC(=O)CN1CC[C@@H](C)C1)c1cccc(F)c1 ZINC001166677573 799918038 /nfs/dbraw/zinc/91/80/38/799918038.db2.gz KHUQCHQVOFIKGH-CABCVRRESA-N 1 3 321.440 2.324 20 0 DEADHO CC(C)CC[NH2+]CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001166687554 799921289 /nfs/dbraw/zinc/92/12/89/799921289.db2.gz VYMGSQPSYXFJCD-QGZVFWFLSA-N 1 3 315.477 2.341 20 0 DEADHO C[C@H](F)CC[NH2+]CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001166687002 799921515 /nfs/dbraw/zinc/92/15/15/799921515.db2.gz GQLHBZHPYBTMFI-BBRMVZONSA-N 1 3 319.440 2.043 20 0 DEADHO CC1(C)CCN(CC(=O)NCCC[NH2+]CC=C(Cl)Cl)C1 ZINC001166765337 799944939 /nfs/dbraw/zinc/94/49/39/799944939.db2.gz YFVGYPDSNOBXDT-UHFFFAOYSA-N 1 3 322.280 2.133 20 0 DEADHO CC(C)[C@H](C(=O)NCCC1(C[NH2+]C/C=C\Cl)CC1)N(C)C ZINC001167044658 800014710 /nfs/dbraw/zinc/01/47/10/800014710.db2.gz MZOZOJIKFJXWFE-VYLZPFMQSA-N 1 3 315.889 2.201 20 0 DEADHO CCCC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203659244 800100398 /nfs/dbraw/zinc/10/03/98/800100398.db2.gz HFBLXGNEFATTKN-HUUCEWRRSA-N 1 3 304.438 2.078 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]CCC(C)C)CC1 ZINC001203902649 800144464 /nfs/dbraw/zinc/14/44/64/800144464.db2.gz HKZXWCICANUUMQ-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]1COCCN(Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001204263869 800196308 /nfs/dbraw/zinc/19/63/08/800196308.db2.gz OSQJYYSOSDLBHO-MRXNPFEDSA-N 1 3 306.450 2.485 20 0 DEADHO COC(=O)c1ccc2[nH]cc(CN3CCC[C@H]([NH3+])CC3)c2c1 ZINC001205110484 800298479 /nfs/dbraw/zinc/29/84/79/800298479.db2.gz TZYYBYFVUXPNKQ-AWEZNQCLSA-N 1 3 301.390 2.268 20 0 DEADHO C[C@@]1([NH3+])CCCN(Cc2cccc(N3CCOCC3)c2)CC1 ZINC001205288007 800336546 /nfs/dbraw/zinc/33/65/46/800336546.db2.gz FORHGYHXXUMQCV-GOSISDBHSA-N 1 3 303.450 2.227 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC(C[NH2+]CC[C@H](C)F)CC1 ZINC001205562522 800377227 /nfs/dbraw/zinc/37/72/27/800377227.db2.gz WKDHMPQYNMLAHO-AWEZNQCLSA-N 1 3 315.477 2.293 20 0 DEADHO CCn1ccc2c1cccc2C[N@@H+]1CCCC[C@](O)(CN)C1 ZINC001205673921 800399647 /nfs/dbraw/zinc/39/96/47/800399647.db2.gz VSQQYXBXUVASLR-SFHVURJKSA-N 1 3 301.434 2.337 20 0 DEADHO CCn1ccc2c1cccc2C[N@H+]1CCCC[C@](O)(CN)C1 ZINC001205673921 800399653 /nfs/dbraw/zinc/39/96/53/800399653.db2.gz VSQQYXBXUVASLR-SFHVURJKSA-N 1 3 301.434 2.337 20 0 DEADHO C[C@H]1CN(Cc2cnn3ccc(Cl)nc23)CCC[C@@H]1C[NH3+] ZINC001206036128 800462693 /nfs/dbraw/zinc/46/26/93/800462693.db2.gz GXGCMYBACJYQFS-NWDGAFQWSA-N 1 3 307.829 2.190 20 0 DEADHO Nc1ccc(OC(F)(F)F)cc1C[N@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001206174242 800483973 /nfs/dbraw/zinc/48/39/73/800483973.db2.gz MUJATNTXBVNTJE-DGCLKSJQSA-N 1 3 321.318 2.429 20 0 DEADHO Nc1ccc(OC(F)(F)F)cc1C[N@@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001206174242 800483974 /nfs/dbraw/zinc/48/39/74/800483974.db2.gz MUJATNTXBVNTJE-DGCLKSJQSA-N 1 3 321.318 2.429 20 0 DEADHO COc1ncc(CN(C2CCCC2)C2CC[NH+](C)CC2)cn1 ZINC001206432890 800531962 /nfs/dbraw/zinc/53/19/62/800531962.db2.gz RPCYWCAXFCPAKY-UHFFFAOYSA-N 1 3 304.438 2.324 20 0 DEADHO COC(=O)c1ccc(CNCCC2CC[NH+](C(C)C)CC2)nc1 ZINC001206857632 800607637 /nfs/dbraw/zinc/60/76/37/800607637.db2.gz WHYKZHCIBLFSGI-UHFFFAOYSA-N 1 3 319.449 2.468 20 0 DEADHO CCC(CC)C[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001206928714 800631206 /nfs/dbraw/zinc/63/12/06/800631206.db2.gz GJKLOITYCJNKAK-UHFFFAOYSA-N 1 3 309.498 2.347 20 0 DEADHO CN(C)CC(C)(C)C[NH+]1CCC(NC(=O)C2CCCC2)CC1 ZINC001207285341 800723601 /nfs/dbraw/zinc/72/36/01/800723601.db2.gz GYRKCBAKEIWONM-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO COC(=O)CC[N@H+](CCCN(C)C)CCc1ccc(OC)cc1 ZINC001207476058 800763084 /nfs/dbraw/zinc/76/30/84/800763084.db2.gz QYCBUXNIEWOWSV-UHFFFAOYSA-N 1 3 322.449 2.055 20 0 DEADHO COC(=O)CC[N@@H+](CCCN(C)C)CCc1ccc(OC)cc1 ZINC001207476058 800763086 /nfs/dbraw/zinc/76/30/86/800763086.db2.gz QYCBUXNIEWOWSV-UHFFFAOYSA-N 1 3 322.449 2.055 20 0 DEADHO CCC[NH+](CCC)CCN1CCN(CCCn2cccn2)CC1 ZINC001208079457 800907949 /nfs/dbraw/zinc/90/79/49/800907949.db2.gz UAUPUJKHEQISIN-UHFFFAOYSA-N 1 3 321.513 2.013 20 0 DEADHO CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001208335129 800957690 /nfs/dbraw/zinc/95/76/90/800957690.db2.gz QIXNGUCAKWVJKJ-WBXGCANISA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)C(=O)N1CCC[C@]12CCN(C[C@H]1CCC[N@H+](C)C1)C2 ZINC001208608665 801031390 /nfs/dbraw/zinc/03/13/90/801031390.db2.gz RIZOPFHVRFAMJV-FUHWJXTLSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)C(=O)N1CCC[C@]12CCN(C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001208608665 801031396 /nfs/dbraw/zinc/03/13/96/801031396.db2.gz RIZOPFHVRFAMJV-FUHWJXTLSA-N 1 3 307.482 2.051 20 0 DEADHO C[N@@H+]1CCC[C@H](CN2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)C1 ZINC001208611994 801032708 /nfs/dbraw/zinc/03/27/08/801032708.db2.gz ZNMFXGYPIKXEHR-GBESFXJTSA-N 1 3 322.493 2.378 20 0 DEADHO C[N@H+]1CCC[C@H](CN2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)C1 ZINC001208611994 801032714 /nfs/dbraw/zinc/03/27/14/801032714.db2.gz ZNMFXGYPIKXEHR-GBESFXJTSA-N 1 3 322.493 2.378 20 0 DEADHO C[N@@H+]1CC[C@@H]2CN(CCOCCOCc3ccccc3)C[C@@H]2C1 ZINC001208744384 801060902 /nfs/dbraw/zinc/06/09/02/801060902.db2.gz UXHJMMSGWJONSR-MOPGFXCFSA-N 1 3 318.461 2.103 20 0 DEADHO C[N@H+]1CC[C@@H]2CN(CCOCCOCc3ccccc3)C[C@@H]2C1 ZINC001208744384 801060908 /nfs/dbraw/zinc/06/09/08/801060908.db2.gz UXHJMMSGWJONSR-MOPGFXCFSA-N 1 3 318.461 2.103 20 0 DEADHO C[NH+](C)CCCC(=O)N1CCC[C@H](NCc2ccccc2F)C1 ZINC001209313609 801169385 /nfs/dbraw/zinc/16/93/85/801169385.db2.gz FMDHCCZLTUFRCZ-INIZCTEOSA-N 1 3 321.440 2.248 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCCCCF)C1)N(C)C ZINC001209484070 801199642 /nfs/dbraw/zinc/19/96/42/801199642.db2.gz FWEYMDAQBJSHIM-JKSUJKDBSA-N 1 3 315.477 2.293 20 0 DEADHO CCC(CC)C[NH2+][C@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001209631253 801239198 /nfs/dbraw/zinc/23/91/98/801239198.db2.gz DTHVVFVKFHFMBS-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001209640678 801243437 /nfs/dbraw/zinc/24/34/37/801243437.db2.gz CRRVWYDPZNDZMS-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2C)C1 ZINC001210217327 801352197 /nfs/dbraw/zinc/35/21/97/801352197.db2.gz GWAVWOKSHWFVIE-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]Cc2csc(C)c2)C1 ZINC001210228368 801353776 /nfs/dbraw/zinc/35/37/76/801353776.db2.gz IBUUNEHBXGUNEG-INIZCTEOSA-N 1 3 323.506 2.479 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(C)C1 ZINC001230284680 801381717 /nfs/dbraw/zinc/38/17/17/801381717.db2.gz QCMGKEAUGYPNTE-BHUNQDJPSA-N 1 3 309.498 2.390 20 0 DEADHO CC(C)N(C)CC(=O)NC1CC[NH+](CCc2cccs2)CC1 ZINC001230366769 801394200 /nfs/dbraw/zinc/39/42/00/801394200.db2.gz GZFLTFKLSLGJDN-UHFFFAOYSA-N 1 3 323.506 2.211 20 0 DEADHO CCOC(=O)c1ccc(CCC[N@@H+]2CCN[C@@H](C)CC2)cc1 ZINC001210476331 801408896 /nfs/dbraw/zinc/40/88/96/801408896.db2.gz UYXXXBWAMXUCRT-HNNXBMFYSA-N 1 3 304.434 2.480 20 0 DEADHO CCOC(=O)c1ccc(CCC[N@H+]2CCN[C@@H](C)CC2)cc1 ZINC001210476331 801408899 /nfs/dbraw/zinc/40/88/99/801408899.db2.gz UYXXXBWAMXUCRT-HNNXBMFYSA-N 1 3 304.434 2.480 20 0 DEADHO CC[C@H](F)CN[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210744638 801455983 /nfs/dbraw/zinc/45/59/83/801455983.db2.gz SNUCWOUYRWIDJM-LSDHHAIUSA-N 1 3 301.450 2.047 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001210810632 801467810 /nfs/dbraw/zinc/46/78/10/801467810.db2.gz BLMKPAIUASUYGI-OAHLLOKOSA-N 1 3 309.479 2.171 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C)N1CCCC1 ZINC001211376238 801555841 /nfs/dbraw/zinc/55/58/41/801555841.db2.gz IJZVNKVMACQIIZ-KBAYOESNSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C)N1CCCC1 ZINC001211376238 801555848 /nfs/dbraw/zinc/55/58/48/801555848.db2.gz IJZVNKVMACQIIZ-KBAYOESNSA-N 1 3 321.509 2.343 20 0 DEADHO COC(=O)CCN(Cc1cc(F)cc(C[NH+](C)C)c1)C1CC1 ZINC001232149268 801800366 /nfs/dbraw/zinc/80/03/66/801800366.db2.gz KBGSYHFQHXCOPL-UHFFFAOYSA-N 1 3 308.397 2.415 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCCCF)C1)N(C)C ZINC001215474202 801864815 /nfs/dbraw/zinc/86/48/15/801864815.db2.gz MWVUDQSNHKFLJJ-BZUAXINKSA-N 1 3 315.477 2.149 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001215680635 801894014 /nfs/dbraw/zinc/89/40/14/801894014.db2.gz GFZPZTHRWPSDNM-IIAWOOMASA-N 1 3 306.454 2.071 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001216852145 802034456 /nfs/dbraw/zinc/03/44/56/802034456.db2.gz RBDMUUVHHQISPH-GDBMZVCRSA-N 1 3 309.498 2.199 20 0 DEADHO Cc1c(NC(=O)[C@@H](N)CCC[NH3+])snc1-c1ccccc1 ZINC001218719103 802232482 /nfs/dbraw/zinc/23/24/82/802232482.db2.gz LSKJFBJWUUPKFN-LBPRGKRZSA-N 1 3 304.419 2.123 20 0 DEADHO N[C@@H](CCC[NH3+])C(=O)Nc1cc(-c2ccccc2)cc(Cl)n1 ZINC001218742095 802234182 /nfs/dbraw/zinc/23/41/82/802234182.db2.gz DAQIFXUWOCODOG-ZDUSSCGKSA-N 1 3 318.808 2.407 20 0 DEADHO N[C@@H](CCCC[NH3+])C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC001218845539 802250026 /nfs/dbraw/zinc/25/00/26/802250026.db2.gz KMDYQBLKHQEILP-KRWDZBQOSA-N 1 3 312.417 2.067 20 0 DEADHO N[C@@H](CCCC[NH3+])C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC001218857135 802250407 /nfs/dbraw/zinc/25/04/07/802250407.db2.gz ITEJENNEOSRTIW-JTQLQIEISA-N 1 3 321.755 2.336 20 0 DEADHO CCCCOc1c(NC(=O)[C@H](N)CCC[NH3+])ccc(F)c1F ZINC001218960940 802266506 /nfs/dbraw/zinc/26/65/06/802266506.db2.gz ZWBYTIPKUXDKRP-LLVKDONJSA-N 1 3 315.364 2.148 20 0 DEADHO [NH3+]C1(c2ccc(NC(=O)C[C@@H]3CCNC[C@H]3F)cc2)CCC1 ZINC001218972441 802267468 /nfs/dbraw/zinc/26/74/68/802267468.db2.gz OMMDHNDBOCPMQM-SWLSCSKDSA-N 1 3 305.397 2.301 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cc(O)cc(Cl)c1 ZINC001218981533 802268857 /nfs/dbraw/zinc/26/88/57/802268857.db2.gz IHZKDWUCLGADJF-AWEZNQCLSA-N 1 3 313.829 2.480 20 0 DEADHO N[C@@H](C(=O)Nc1ccc2c3c(cccc31)CC2)C1CC[NH2+]CC1 ZINC001219003514 802273486 /nfs/dbraw/zinc/27/34/86/802273486.db2.gz MQGLTIRWRBUVNJ-GOSISDBHSA-N 1 3 309.413 2.204 20 0 DEADHO CCCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001234344763 802358937 /nfs/dbraw/zinc/35/89/37/802358937.db2.gz DDZGNPGMZAUXQP-DLBZAZTESA-N 1 3 307.482 2.051 20 0 DEADHO CCC[C@H](N)C(=O)N[C@H]1CC2(CC[NH2+]CC2)c2ccc(C)cc21 ZINC001219753235 802375650 /nfs/dbraw/zinc/37/56/50/802375650.db2.gz DITFWTJLRGXHAV-IRXDYDNUSA-N 1 3 315.461 2.305 20 0 DEADHO C[C@@H](C[NH+](C)C)NC(=O)C[C@@H](N)c1ccc(C(F)(F)F)cc1 ZINC001219916490 802391701 /nfs/dbraw/zinc/39/17/01/802391701.db2.gz XJROSNZOCSRWIW-GXFFZTMASA-N 1 3 317.355 2.162 20 0 DEADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001219998919 802400571 /nfs/dbraw/zinc/40/05/71/802400571.db2.gz FWMJBLMWXYTHHK-YESZJQIVSA-N 1 3 319.424 2.030 20 0 DEADHO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1C[C@@H](F)CCN1 ZINC001219998919 802400576 /nfs/dbraw/zinc/40/05/76/802400576.db2.gz FWMJBLMWXYTHHK-YESZJQIVSA-N 1 3 319.424 2.030 20 0 DEADHO N[C@H](C(=O)NC1c2ccccc2-c2ccccc21)C1CC[NH2+]CC1 ZINC001220067993 802408864 /nfs/dbraw/zinc/40/88/64/802408864.db2.gz YYWOELYEGBCOKC-SFHVURJKSA-N 1 3 321.424 2.200 20 0 DEADHO COc1cccc([C@H](N)CC(=O)N[C@@]23CC[C@@]([NH3+])(C2)CCC3)c1 ZINC001220779557 802497047 /nfs/dbraw/zinc/49/70/47/802497047.db2.gz WTWLGPPUPYFVFH-NXHRZFHOSA-N 1 3 317.433 2.005 20 0 DEADHO N[C@H](CC(=O)N[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC001220886679 802508055 /nfs/dbraw/zinc/50/80/55/802508055.db2.gz JRPJUGHAYVJSQX-ZWNOBZJWSA-N 1 3 316.232 2.252 20 0 DEADHO CN(CC(=O)Nc1ccc2c(c1)CCC2)C1CCC([NH3+])CC1 ZINC000316837458 802527455 /nfs/dbraw/zinc/52/74/55/802527455.db2.gz QUZOTQKUEOADSR-UHFFFAOYSA-N 1 3 301.434 2.316 20 0 DEADHO Cc1ccccc1C(C)(C)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221170900 802534166 /nfs/dbraw/zinc/53/41/66/802534166.db2.gz WNWPMNJTRBONQX-MRXNPFEDSA-N 1 3 315.461 2.221 20 0 DEADHO Cc1ccccc1C(C)(C)NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221170900 802534170 /nfs/dbraw/zinc/53/41/70/802534170.db2.gz WNWPMNJTRBONQX-MRXNPFEDSA-N 1 3 315.461 2.221 20 0 DEADHO Cc1ccc2nc(CN3CCNC4(CC[NH2+]CC4)C3)ccc2c1 ZINC001222091649 802641385 /nfs/dbraw/zinc/64/13/85/802641385.db2.gz ZDPUNFJVQIXKEV-UHFFFAOYSA-N 1 3 310.445 2.071 20 0 DEADHO OCCC[N@@H+]1[C@@H](COCc2ccccc2)CCC12CCNCC2 ZINC001222573760 802709699 /nfs/dbraw/zinc/70/96/99/802709699.db2.gz DJFWIBYFDGXMLN-GOSISDBHSA-N 1 3 318.461 2.172 20 0 DEADHO OCCC[N@H+]1[C@@H](COCc2ccccc2)CCC12CCNCC2 ZINC001222573760 802709704 /nfs/dbraw/zinc/70/97/04/802709704.db2.gz DJFWIBYFDGXMLN-GOSISDBHSA-N 1 3 318.461 2.172 20 0 DEADHO OCCCN1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222573760 802709705 /nfs/dbraw/zinc/70/97/05/802709705.db2.gz DJFWIBYFDGXMLN-GOSISDBHSA-N 1 3 318.461 2.172 20 0 DEADHO CC(C)CC[NH+]1CCC(CNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001223471926 802792676 /nfs/dbraw/zinc/79/26/76/802792676.db2.gz HHZZICIMZXVGBO-QGZVFWFLSA-N 1 3 309.498 2.201 20 0 DEADHO c1ccc(CN2CCOC[C@H](OCCC[NH+]3CCCC3)C2)cc1 ZINC001224751064 802901000 /nfs/dbraw/zinc/90/10/00/802901000.db2.gz VQSDISLHXNCCHS-LJQANCHMSA-N 1 3 318.461 2.390 20 0 DEADHO CCCN(C)CC(=O)NCC1CC[NH+](CC2CC(C)C2)CC1 ZINC001225252151 802947103 /nfs/dbraw/zinc/94/71/03/802947103.db2.gz NEYGJCBTYLJMBP-UHFFFAOYSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CC12CC[NH+](CC1CCC1)CC2)N(C)C ZINC001370077237 1149380200 /nfs/dbraw/zinc/38/02/00/1149380200.db2.gz GWAZORBGUDNHFF-SJORKVTESA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@H](F)CN1CCC2(C[C@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001370086797 1149383178 /nfs/dbraw/zinc/38/31/78/1149383178.db2.gz FKEXOQWDXQYQQG-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC1CCC1)C1CC1 ZINC001370182807 1149417679 /nfs/dbraw/zinc/41/76/79/1149417679.db2.gz YFXDXQKUBFTXLA-IAGOWNOFSA-N 1 3 307.482 2.145 20 0 DEADHO CCC(CC)C[NH+]1CC(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001419042699 1168153905 /nfs/dbraw/zinc/15/39/05/1168153905.db2.gz KDLKLWBLZWPKNV-GJZGRUSLSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H](C)[NH2+]Cc1ccccc1F ZINC001368847150 1148713949 /nfs/dbraw/zinc/71/39/49/1148713949.db2.gz SYCHVXKZAHHADI-ZIAGYGMSSA-N 1 3 321.440 2.293 20 0 DEADHO Cc1ccc(C[NH2+][C@H](CNC(=O)CN(C)C(C)C)C2CC2)cc1 ZINC001370270544 1149451545 /nfs/dbraw/zinc/45/15/45/1149451545.db2.gz FYADRWQWPVAGGL-GOSISDBHSA-N 1 3 317.477 2.320 20 0 DEADHO CC(C)(C)OC(=O)NC1(CNC[C@@H]([NH3+])CC(F)F)CCC1 ZINC001575214928 1069393568 /nfs/dbraw/zinc/39/35/68/1069393568.db2.gz WDPPZKMUHQZNIX-JTQLQIEISA-N 1 3 307.385 2.006 20 0 DEADHO CCCC[C@H](CC)COC[C@H](O)CNC1(C[NH3+])CCCC1 ZINC001245995910 1140843551 /nfs/dbraw/zinc/84/35/51/1140843551.db2.gz SVNPXUWLEMNWPB-JKSUJKDBSA-N 1 3 300.487 2.441 20 0 DEADHO Cc1cccc([C@H](C)N2CC([C@@H](C)NC(=O)CC[NH+](C)C)C2)c1 ZINC001369086728 1148845986 /nfs/dbraw/zinc/84/59/86/1148845986.db2.gz KVHRDILFXRROKB-CVEARBPZSA-N 1 3 317.477 2.444 20 0 DEADHO C[C@@H](NC(=O)CN1CC[C@H](C)C1)C1C[NH+](CCC(C)(C)C)C1 ZINC001369092147 1148847169 /nfs/dbraw/zinc/84/71/69/1148847169.db2.gz MCKBSDSCXGGTBM-LSDHHAIUSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@H](C)C[NH+]1CC([C@@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001369093668 1148847383 /nfs/dbraw/zinc/84/73/83/1148847383.db2.gz OKDVMENKCZXSBW-LSDHHAIUSA-N 1 3 311.514 2.447 20 0 DEADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CCCC1 ZINC001453535655 1057307681 /nfs/dbraw/zinc/30/76/81/1057307681.db2.gz TVFBWZLPZSMIKB-INIZCTEOSA-N 1 3 307.482 2.384 20 0 DEADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CCCC1 ZINC001453535655 1057307687 /nfs/dbraw/zinc/30/76/87/1057307687.db2.gz TVFBWZLPZSMIKB-INIZCTEOSA-N 1 3 307.482 2.384 20 0 DEADHO CC1CCN(CC[C@@H]2CCC[N@@H+]2C[C@H]2CCNC(=O)CC2)CC1 ZINC001460627666 1058481949 /nfs/dbraw/zinc/48/19/49/1058481949.db2.gz QFPXIJCNLYKHFC-MSOLQXFVSA-N 1 3 321.509 2.489 20 0 DEADHO CC1CCN(CC[C@@H]2CCC[N@H+]2C[C@H]2CCNC(=O)CC2)CC1 ZINC001460627666 1058481961 /nfs/dbraw/zinc/48/19/61/1058481961.db2.gz QFPXIJCNLYKHFC-MSOLQXFVSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)CC[NH2+]C[C@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001500353789 1058719300 /nfs/dbraw/zinc/71/93/00/1058719300.db2.gz DFAOJCDDJMWRIA-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO CC[NH+]1CCC(CN2CCN(c3ccnc(F)c3)CC2)CC1 ZINC001462257290 1058788457 /nfs/dbraw/zinc/78/84/57/1058788457.db2.gz HPMLNKVFRBUBGB-UHFFFAOYSA-N 1 3 306.429 2.075 20 0 DEADHO C[C@@H](NCCF)c1ccc(CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001501681766 1059631766 /nfs/dbraw/zinc/63/17/66/1059631766.db2.gz QHIUEQDOCUBKIN-GDBMZVCRSA-N 1 3 321.440 2.265 20 0 DEADHO C[C@@H](NCCF)c1ccc(CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001501681766 1059631777 /nfs/dbraw/zinc/63/17/77/1059631777.db2.gz QHIUEQDOCUBKIN-GDBMZVCRSA-N 1 3 321.440 2.265 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]CC[C@@H](C)F)CCC1 ZINC001501960025 1059808718 /nfs/dbraw/zinc/80/87/18/1059808718.db2.gz FYVHAJSDNMUYTF-HUUCEWRRSA-N 1 3 313.461 2.237 20 0 DEADHO C[NH+](C)CCC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2)CC1 ZINC001502135538 1059981308 /nfs/dbraw/zinc/98/13/08/1059981308.db2.gz MLSMELYFJWTWOS-QGZVFWFLSA-N 1 3 321.440 2.248 20 0 DEADHO CCC1([NH2+]CC[C@H](C)F)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001502482889 1060148435 /nfs/dbraw/zinc/14/84/35/1060148435.db2.gz KIGWURAWVZWXBT-GJZGRUSLSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001502771819 1060288138 /nfs/dbraw/zinc/28/81/38/1060288138.db2.gz CERIWYGDMFFKOC-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)NC/C(Cl)=C/Cl ZINC001503473238 1060448749 /nfs/dbraw/zinc/44/87/49/1060448749.db2.gz AUMDFDMLJPHYKZ-BSHKOFBUSA-N 1 3 322.280 2.132 20 0 DEADHO C[C@@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)NC/C(Cl)=C/Cl ZINC001503473238 1060448756 /nfs/dbraw/zinc/44/87/56/1060448756.db2.gz AUMDFDMLJPHYKZ-BSHKOFBUSA-N 1 3 322.280 2.132 20 0 DEADHO CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CN(C)C(C)C)C2)CC1 ZINC001479502459 1061479536 /nfs/dbraw/zinc/47/95/36/1061479536.db2.gz JLWAFIROORFZMQ-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)CCC[NH+](C)C)C2)c(C)c1 ZINC001479961464 1062113934 /nfs/dbraw/zinc/11/39/34/1062113934.db2.gz HCQIGSRHRRBDEZ-SFHVURJKSA-N 1 3 317.477 2.336 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2csc(C)c2)C1)N(C)C ZINC001506888204 1062474154 /nfs/dbraw/zinc/47/41/54/1062474154.db2.gz WLALCCWOUIOYSB-FVQBIDKESA-N 1 3 323.506 2.381 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC1)N1CCCC1 ZINC001480331950 1062667108 /nfs/dbraw/zinc/66/71/08/1062667108.db2.gz OFSPAKHJJPSZNV-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC1CC1)N1CCCC1 ZINC001480331950 1062667119 /nfs/dbraw/zinc/66/71/19/1062667119.db2.gz OFSPAKHJJPSZNV-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C(=O)Cc1c[nH]cn1)[C@H](C[NH2+]CC1=CCCCC1)C1CC1 ZINC001507026596 1062691778 /nfs/dbraw/zinc/69/17/78/1062691778.db2.gz YGZNWAFROYYBTI-QGZVFWFLSA-N 1 3 316.449 2.279 20 0 DEADHO CCC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(C)C ZINC001480396668 1062794711 /nfs/dbraw/zinc/79/47/11/1062794711.db2.gz PUUZWEHZIZLRPK-XCXGBPDESA-N 1 3 307.482 2.119 20 0 DEADHO CCC/C=C\CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(C)C ZINC001480396668 1062794729 /nfs/dbraw/zinc/79/47/29/1062794729.db2.gz PUUZWEHZIZLRPK-XCXGBPDESA-N 1 3 307.482 2.119 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001480597524 1063090115 /nfs/dbraw/zinc/09/01/15/1063090115.db2.gz QNMUQNHNGIVSOY-KBPBESRZSA-N 1 3 309.429 2.321 20 0 DEADHO CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)CCC)C[C@@H]21 ZINC001507361419 1063154304 /nfs/dbraw/zinc/15/43/04/1063154304.db2.gz BDHDXORNGBXBSG-YESZJQIVSA-N 1 3 309.498 2.345 20 0 DEADHO CC[NH+]1CCC(C2(NC(=O)CN(C)CC(C)(C)C)CC2)CC1 ZINC001508166884 1063590014 /nfs/dbraw/zinc/59/00/14/1063590014.db2.gz VZKPJKMALMXNPW-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1cc(C)c(C[NH2+]CCN(C)C(=O)[C@H]2CCCN2C)c(C)c1 ZINC001493654717 1063899976 /nfs/dbraw/zinc/89/99/76/1063899976.db2.gz JTDJYXBIYRCSGT-GOSISDBHSA-N 1 3 317.477 2.254 20 0 DEADHO CN(CC[NH2+][C@@H]1CCCc2ccccc21)C(=O)Cc1c[nH]cn1 ZINC001493709105 1063928304 /nfs/dbraw/zinc/92/83/04/1063928304.db2.gz NDKNGWBMDNAGQG-QGZVFWFLSA-N 1 3 312.417 2.078 20 0 DEADHO CC[C@@H](C)C[N@H+](C)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001494206542 1064173191 /nfs/dbraw/zinc/17/31/91/1064173191.db2.gz ZTCRKLKNFIQTQE-CQSZACIVSA-N 1 3 306.454 2.169 20 0 DEADHO CC[C@@H](C)C[N@@H+](C)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001494206542 1064173196 /nfs/dbraw/zinc/17/31/96/1064173196.db2.gz ZTCRKLKNFIQTQE-CQSZACIVSA-N 1 3 306.454 2.169 20 0 DEADHO Cc1ccc(CNCCN(C)C(=O)C2(C[NH+](C)C)CC2)cc1F ZINC001567550762 1064248656 /nfs/dbraw/zinc/24/86/56/1064248656.db2.gz KAUGKPKUXYJFMU-UHFFFAOYSA-N 1 3 321.440 2.024 20 0 DEADHO CC/C=C/CC[NH2+][C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001567757087 1064406760 /nfs/dbraw/zinc/40/67/60/1064406760.db2.gz AYFLPLWVZLEFFC-FDRQBBGKSA-N 1 3 307.482 2.265 20 0 DEADHO CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCc1cncs1 ZINC001495033169 1064652694 /nfs/dbraw/zinc/65/26/94/1064652694.db2.gz AWXASWGUHMQQKW-ZDUSSCGKSA-N 1 3 324.494 2.002 20 0 DEADHO CC(C)=CC[NH2+]C1(CNC(=O)Cc2nc[nH]c2C)CCCC1 ZINC001568246016 1064726613 /nfs/dbraw/zinc/72/66/13/1064726613.db2.gz RYYLKLBAEOSEIU-UHFFFAOYSA-N 1 3 304.438 2.245 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](CC[NH2+]C(C)C)C1 ZINC001495394166 1064878501 /nfs/dbraw/zinc/87/85/01/1064878501.db2.gz VYQNCAMTCUHSEH-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+]C/C=C\Cl)CC1 ZINC001495481704 1064934647 /nfs/dbraw/zinc/93/46/47/1064934647.db2.gz KNIRMJXPHFPDPP-KZCPSHQTSA-N 1 3 301.862 2.096 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]CC=C(Cl)Cl)N(C)C ZINC001568700391 1065061339 /nfs/dbraw/zinc/06/13/39/1065061339.db2.gz ZEVMWEKRUHEZPV-GHMZBOCLSA-N 1 3 310.269 2.130 20 0 DEADHO CCCC[NH2+]CC[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001568678105 1065043644 /nfs/dbraw/zinc/04/36/44/1065043644.db2.gz LAVZTRSAOKNAID-RHSMWYFYSA-N 1 3 315.477 2.483 20 0 DEADHO C[C@@H](CC[NH2+]CC1CC2(CCC2)C1)NC(=O)CN1CC[C@@H](C)C1 ZINC001568677762 1065044066 /nfs/dbraw/zinc/04/40/66/1065044066.db2.gz GEPHCAALGOMCDC-CVEARBPZSA-N 1 3 321.509 2.393 20 0 DEADHO CCN(CC[NH2+]CC1CCC1)C(=O)[C@@H]1CCCCN1C(C)C ZINC001568782062 1065114313 /nfs/dbraw/zinc/11/43/13/1065114313.db2.gz ZMWLVEINCPWFEU-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1ccc(C[NH2+]C/C=C/CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001568863524 1065164610 /nfs/dbraw/zinc/16/46/10/1065164610.db2.gz WNCDUHAKTQKGQD-SNAWJCMRSA-N 1 3 315.461 2.241 20 0 DEADHO C[C@H](C[NH2+]CCC1CC1)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001569019193 1065243819 /nfs/dbraw/zinc/24/38/19/1065243819.db2.gz OMHWBSBQEWJDAR-DYVFJYSZSA-N 1 3 313.461 2.093 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H](CNCCF)C1CCCC1 ZINC001569604055 1065618054 /nfs/dbraw/zinc/61/80/54/1065618054.db2.gz LGMQKITUZZBWRY-CVEARBPZSA-N 1 3 313.461 2.095 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H](CNCCF)C1CCCC1 ZINC001569604055 1065618062 /nfs/dbraw/zinc/61/80/62/1065618062.db2.gz LGMQKITUZZBWRY-CVEARBPZSA-N 1 3 313.461 2.095 20 0 DEADHO CN(CC(=O)N1CC[C@H](CC[NH2+]CCC2CC2)C1)C1CCC1 ZINC001569983439 1065859417 /nfs/dbraw/zinc/85/94/17/1065859417.db2.gz AVAAGYOUNAVOPK-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)CC[NH2+]CC[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001570004486 1065874046 /nfs/dbraw/zinc/87/40/46/1065874046.db2.gz JNRHUIQOPIVPPT-SJORKVTESA-N 1 3 309.498 2.203 20 0 DEADHO CCN(CC[NH2+]Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C ZINC001497434056 1066091122 /nfs/dbraw/zinc/09/11/22/1066091122.db2.gz FMIVDKZFDWWPNB-MRXNPFEDSA-N 1 3 323.868 2.372 20 0 DEADHO CC(C)(C)OC(=O)NCCN1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC001575224109 1066226209 /nfs/dbraw/zinc/22/62/09/1066226209.db2.gz PAVLMVNTOBDRFZ-AWEZNQCLSA-N 1 3 311.470 2.221 20 0 DEADHO C[C@H](NC/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1)c1cccc(F)c1 ZINC001497750200 1066285062 /nfs/dbraw/zinc/28/50/62/1066285062.db2.gz QXHNTZDPSNGKQI-BVWQNDCPSA-N 1 3 319.424 2.100 20 0 DEADHO C[C@H](NC/C=C/CNC(=O)[C@H]1CC[N@@H+](C)C1)c1cccc(F)c1 ZINC001497750200 1066285077 /nfs/dbraw/zinc/28/50/77/1066285077.db2.gz QXHNTZDPSNGKQI-BVWQNDCPSA-N 1 3 319.424 2.100 20 0 DEADHO C[C@H](CN[C@@H](C)c1ccccc1F)NC(=O)C1CC[NH+](C)CC1 ZINC001497900000 1066403468 /nfs/dbraw/zinc/40/34/68/1066403468.db2.gz QVWHZGALIXWOJO-KGLIPLIRSA-N 1 3 321.440 2.323 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(F)c1 ZINC001497993704 1066449519 /nfs/dbraw/zinc/44/95/19/1066449519.db2.gz UKFBQCRCOSCBEY-RHSMWYFYSA-N 1 3 321.440 2.294 20 0 DEADHO C[C@H](c1ccccc1)[C@H](NCc1cccc2c1CC[NH2+]C2)C(N)=O ZINC001576311272 1066556880 /nfs/dbraw/zinc/55/68/80/1066556880.db2.gz PMOOMZDHMSBOMA-KUHUBIRLSA-N 1 3 323.440 2.080 20 0 DEADHO C[C@H](C[N@H+](C)CCC1CCCC1)NC(=O)CN(C)C1CCC1 ZINC001498312304 1066628183 /nfs/dbraw/zinc/62/81/83/1066628183.db2.gz IWAFYWUUKKSFSI-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](C[N@@H+](C)CCC1CCCC1)NC(=O)CN(C)C1CCC1 ZINC001498312304 1066628185 /nfs/dbraw/zinc/62/81/85/1066628185.db2.gz IWAFYWUUKKSFSI-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CC2(CNC(=O)OC(C)(C)C)CCC2)CCN1 ZINC001576623695 1066648263 /nfs/dbraw/zinc/64/82/63/1066648263.db2.gz MEIQHHIVXBKJEH-KBPBESRZSA-N 1 3 311.470 2.412 20 0 DEADHO C[C@@H]1C[C@@H]1c1noc(CC2CCN(CC(C)(C)C[NH3+])CC2)n1 ZINC001576636433 1066650348 /nfs/dbraw/zinc/65/03/48/1066650348.db2.gz VPNJYMBDWXYBTP-OCCSQVGLSA-N 1 3 306.454 2.432 20 0 DEADHO C[C@H](C[N@H+](C)CCC1CCCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001498381561 1066668695 /nfs/dbraw/zinc/66/86/95/1066668695.db2.gz RDGWOVKCJBUYSQ-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](C[N@@H+](C)CCC1CCCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001498381561 1066668700 /nfs/dbraw/zinc/66/87/00/1066668700.db2.gz RDGWOVKCJBUYSQ-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](C[N@H+](C)CCC1CCCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001498381558 1066668801 /nfs/dbraw/zinc/66/88/01/1066668801.db2.gz RDGWOVKCJBUYSQ-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](C[N@@H+](C)CCC1CCCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001498381558 1066668806 /nfs/dbraw/zinc/66/88/06/1066668806.db2.gz RDGWOVKCJBUYSQ-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cc1nc[nH]c1C ZINC001498495989 1066745131 /nfs/dbraw/zinc/74/51/31/1066745131.db2.gz DAOKFRBWTGNEDP-HOTGVXAUSA-N 1 3 318.465 2.491 20 0 DEADHO CCC[C@@H](NCc1cc(C2C[NH2+]C2)no1)[C@@H](O)c1ccccc1 ZINC001577366310 1066825817 /nfs/dbraw/zinc/82/58/17/1066825817.db2.gz YIVMTRBUZHVYDE-AEFFLSMTSA-N 1 3 315.417 2.353 20 0 DEADHO CCOCCOC1CCN(Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC001578117906 1066989908 /nfs/dbraw/zinc/98/99/08/1066989908.db2.gz SAUDALOBJITDFZ-UHFFFAOYSA-N 1 3 324.490 2.411 20 0 DEADHO CN(C[C@@H]1CCCN1CC1(C[NH3+])CCC1)C(=O)OC(C)(C)C ZINC001578452436 1067106527 /nfs/dbraw/zinc/10/65/27/1067106527.db2.gz SIWKEDJOUWRCAX-AWEZNQCLSA-N 1 3 311.470 2.447 20 0 DEADHO CN(CCC1C[NH2+]C1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC001578463742 1067110673 /nfs/dbraw/zinc/11/06/73/1067110673.db2.gz PSBDHXCBHLQQOI-UHFFFAOYSA-N 1 3 314.332 2.058 20 0 DEADHO CN1CCC(N(Cc2ccco2)C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001578524974 1067122874 /nfs/dbraw/zinc/12/28/74/1067122874.db2.gz LNBJRCSXWYGBSG-LSDHHAIUSA-N 1 3 319.449 2.220 20 0 DEADHO C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001578674527 1067148112 /nfs/dbraw/zinc/14/81/12/1067148112.db2.gz BMZLMXHFRDKAMQ-WMLDXEAASA-N 1 3 313.461 2.190 20 0 DEADHO CO[C@H](c1ccccc1Cl)[C@H](C)NCc1c(C[NH3+])cnn1C ZINC001578921054 1067200345 /nfs/dbraw/zinc/20/03/45/1067200345.db2.gz ZSPUWBWDQSFJGD-ZBEGNZNMSA-N 1 3 322.840 2.398 20 0 DEADHO COCC[C@H](N)C[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC001579002312 1067219910 /nfs/dbraw/zinc/21/99/10/1067219910.db2.gz PYEXBGJSACBNPF-RYUDHWBXSA-N 1 3 315.820 2.011 20 0 DEADHO CC[N@@H+]1CCC[C@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001499574078 1067265370 /nfs/dbraw/zinc/26/53/70/1067265370.db2.gz MVMGHFAGDCEXPX-SFHVURJKSA-N 1 3 309.498 2.299 20 0 DEADHO CC[N@H+]1CCC[C@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001499574078 1067265377 /nfs/dbraw/zinc/26/53/77/1067265377.db2.gz MVMGHFAGDCEXPX-SFHVURJKSA-N 1 3 309.498 2.299 20 0 DEADHO Cc1nn(C(C)C)cc1CNC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001579889508 1067448368 /nfs/dbraw/zinc/44/83/68/1067448368.db2.gz SEBQJHCIZZRFHJ-INIZCTEOSA-N 1 3 306.454 2.021 20 0 DEADHO CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001267057177 1078533241 /nfs/dbraw/zinc/53/32/41/1078533241.db2.gz CFWAKRGPNVWPTP-FEFZKZJHSA-N 1 3 307.482 2.123 20 0 DEADHO N[C@@H](C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)C1CCCCCC1 ZINC001580108804 1067496016 /nfs/dbraw/zinc/49/60/16/1067496016.db2.gz IOCHMCBRSMISHO-DLBZAZTESA-N 1 3 307.482 2.371 20 0 DEADHO NC[C@]12C[N@H+](CCC(=O)Nc3ccccc3)C[C@H]1CCCC2 ZINC001580255594 1067543265 /nfs/dbraw/zinc/54/32/65/1067543265.db2.gz KQIIBRWGXZIBFU-CRAIPNDOSA-N 1 3 301.434 2.466 20 0 DEADHO NC[C@]12C[N@@H+](CCC(=O)Nc3ccccc3)C[C@H]1CCCC2 ZINC001580255594 1067543277 /nfs/dbraw/zinc/54/32/77/1067543277.db2.gz KQIIBRWGXZIBFU-CRAIPNDOSA-N 1 3 301.434 2.466 20 0 DEADHO Cc1cc(CNCCN(C)C(=O)CC[NH+]2CCCCC2)cs1 ZINC001267116983 1078593985 /nfs/dbraw/zinc/59/39/85/1078593985.db2.gz LFGHYVNCSISZHD-UHFFFAOYSA-N 1 3 323.506 2.481 20 0 DEADHO CC[C@@H](F)C[NH2+]CCN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001267117078 1078594867 /nfs/dbraw/zinc/59/48/67/1078594867.db2.gz MIFWHDNNBQMKDM-MRXNPFEDSA-N 1 3 309.429 2.158 20 0 DEADHO Nc1ncccc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001414161004 1078676381 /nfs/dbraw/zinc/67/63/81/1078676381.db2.gz LDXUDFUHVNSELE-UHFFFAOYSA-N 1 3 311.433 2.061 20 0 DEADHO C[C@@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001496155327 1078760868 /nfs/dbraw/zinc/76/08/68/1078760868.db2.gz TWKJYVAVTKTOJO-CVEARBPZSA-N 1 3 307.482 2.265 20 0 DEADHO C[C@]1(Cc2ccccc2F)CCC[N@@H+]1C[C@]1(O)CCCNC1 ZINC001573622145 1069052637 /nfs/dbraw/zinc/05/26/37/1069052637.db2.gz HWBKUVBZZUZMCV-MSOLQXFVSA-N 1 3 306.425 2.337 20 0 DEADHO C[C@]1(Cc2ccccc2F)CCC[N@H+]1C[C@]1(O)CCCNC1 ZINC001573622145 1069052645 /nfs/dbraw/zinc/05/26/45/1069052645.db2.gz HWBKUVBZZUZMCV-MSOLQXFVSA-N 1 3 306.425 2.337 20 0 DEADHO C[C@]1(Cc2ccccc2F)CCCN1C[C@]1(O)CCC[NH2+]C1 ZINC001573622145 1069052653 /nfs/dbraw/zinc/05/26/53/1069052653.db2.gz HWBKUVBZZUZMCV-MSOLQXFVSA-N 1 3 306.425 2.337 20 0 DEADHO CC(C)CC[NH+]1CCC2(CCC(=O)N(CCN(C)C)C2)CC1 ZINC001272448070 1078883209 /nfs/dbraw/zinc/88/32/09/1078883209.db2.gz DYFDHBYNCLHMFB-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(NCc2ccsc2)CC1 ZINC001483738333 1078966921 /nfs/dbraw/zinc/96/69/21/1078966921.db2.gz NIVMDHKQEUOTQC-HNNXBMFYSA-N 1 3 321.490 2.361 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1(NCc2ccsc2)CC1 ZINC001483738333 1078966929 /nfs/dbraw/zinc/96/69/29/1078966929.db2.gz NIVMDHKQEUOTQC-HNNXBMFYSA-N 1 3 321.490 2.361 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]2C[N@@H+](C3CCCC3)C[C@H]21)N(C)C ZINC001272608712 1079003558 /nfs/dbraw/zinc/00/35/58/1079003558.db2.gz VIPGUVBZODZIJY-USXIJHARSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]2C[N@H+](C3CCCC3)C[C@H]21)N(C)C ZINC001272608712 1079003565 /nfs/dbraw/zinc/00/35/65/1079003565.db2.gz VIPGUVBZODZIJY-USXIJHARSA-N 1 3 307.482 2.048 20 0 DEADHO CCCN1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC001645809937 1079004750 /nfs/dbraw/zinc/00/47/50/1079004750.db2.gz XGWFZIRPMHYYHM-WMZOPIPTSA-N 1 3 307.482 2.195 20 0 DEADHO CCCN1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC001645809937 1079004756 /nfs/dbraw/zinc/00/47/56/1079004756.db2.gz XGWFZIRPMHYYHM-WMZOPIPTSA-N 1 3 307.482 2.195 20 0 DEADHO CCn1cc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CCN[C@@H](C)C2)cn1 ZINC001549338491 1073131576 /nfs/dbraw/zinc/13/15/76/1073131576.db2.gz RDFBMCACNKFGKL-XOSAIJSUSA-N 1 3 306.454 2.101 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC001550078262 1073415807 /nfs/dbraw/zinc/41/58/07/1073415807.db2.gz WKUJSERIOGSPTD-OALUTQOASA-N 1 3 323.440 2.234 20 0 DEADHO [NH3+]C[C@H]1CCN(C(=O)c2ccc3c(c2)CNCC3)c2ccccc21 ZINC001550120046 1073436129 /nfs/dbraw/zinc/43/61/29/1073436129.db2.gz AEQANWZHCLBTJE-MRXNPFEDSA-N 1 3 321.424 2.425 20 0 DEADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001550324259 1073591726 /nfs/dbraw/zinc/59/17/26/1073591726.db2.gz OJTKGJIVIKMYNH-HZMVEIRTSA-N 1 3 305.466 2.136 20 0 DEADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001550324259 1073591733 /nfs/dbraw/zinc/59/17/33/1073591733.db2.gz OJTKGJIVIKMYNH-HZMVEIRTSA-N 1 3 305.466 2.136 20 0 DEADHO Cc1nc(F)ccc1CN[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@@H]1O ZINC001550422140 1073647011 /nfs/dbraw/zinc/64/70/11/1073647011.db2.gz NOJVIPQPGANDFL-FZCLSBEQSA-N 1 3 321.440 2.098 20 0 DEADHO Cc1nc(F)ccc1CN[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@@H]1O ZINC001550422140 1073647017 /nfs/dbraw/zinc/64/70/17/1073647017.db2.gz NOJVIPQPGANDFL-FZCLSBEQSA-N 1 3 321.440 2.098 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3cccc(O)c3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550422911 1073649580 /nfs/dbraw/zinc/64/95/80/1073649580.db2.gz FFCUUBUFBASFJL-HCXYKTFWSA-N 1 3 318.461 2.352 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3cccc(O)c3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550422911 1073649586 /nfs/dbraw/zinc/64/95/86/1073649586.db2.gz FFCUUBUFBASFJL-HCXYKTFWSA-N 1 3 318.461 2.352 20 0 DEADHO CCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001483832833 1079143075 /nfs/dbraw/zinc/14/30/75/1079143075.db2.gz FZVKMRCTSMRTML-GOSISDBHSA-N 1 3 318.465 2.457 20 0 DEADHO CCCCC[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001483832833 1079143080 /nfs/dbraw/zinc/14/30/80/1079143080.db2.gz FZVKMRCTSMRTML-GOSISDBHSA-N 1 3 318.465 2.457 20 0 DEADHO CCC[C@@H](C)[C@H](CO)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001414170800 1079145571 /nfs/dbraw/zinc/14/55/71/1079145571.db2.gz ZYLADMVUEDRHRF-ZLZJIPBDSA-N 1 3 312.498 2.407 20 0 DEADHO Nc1c(F)cccc1CN1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC001550705666 1073818703 /nfs/dbraw/zinc/81/87/03/1073818703.db2.gz ZKNMQICOEZILOI-NUEKZKHPSA-N 1 3 307.413 2.269 20 0 DEADHO O=C1CC[C@@H](NCc2ccccc2Cl)[C@@H](C2CC[NH2+]CC2)N1 ZINC001550913919 1073952716 /nfs/dbraw/zinc/95/27/16/1073952716.db2.gz RFWYMYADKKPULJ-NVXWUHKLSA-N 1 3 321.852 2.076 20 0 DEADHO CCCN1CCCC[C@H]1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC001649775988 1079208362 /nfs/dbraw/zinc/20/83/62/1079208362.db2.gz RYWFHUKAOQPNCS-KRWDZBQOSA-N 1 3 307.482 2.242 20 0 DEADHO COc1nccc(CN2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c1F ZINC001551262317 1074139402 /nfs/dbraw/zinc/13/94/02/1074139402.db2.gz ROIUBDVNPWEXEX-CFVMTHIKSA-N 1 3 307.413 2.391 20 0 DEADHO C[C@H]1C[C@H](C[NH2+]C2CCC(C)(N3CCOCC3)CC2)CCO1 ZINC001551382882 1074198302 /nfs/dbraw/zinc/19/83/02/1074198302.db2.gz YFJFPDAZNKVXCQ-KNXWPPODSA-N 1 3 310.482 2.425 20 0 DEADHO C[C@H]1NCCN(C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)[C@@H]1C ZINC001551476828 1074233656 /nfs/dbraw/zinc/23/36/56/1074233656.db2.gz HUACJZBJEDNFMQ-RSIVFMTNSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC001551482427 1074236912 /nfs/dbraw/zinc/23/69/12/1074236912.db2.gz XPDGPMJXPXPBMI-LCMLCXGQSA-N 1 3 322.497 2.175 20 0 DEADHO CN(C)Cc1cccc(NC(=O)[C@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC001552167075 1074482343 /nfs/dbraw/zinc/48/23/43/1074482343.db2.gz KHZFIJLIOHMILR-IRXDYDNUSA-N 1 3 301.434 2.322 20 0 DEADHO CCn1cc([C@@H]2OCC[C@@H]2CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC001552375439 1074558666 /nfs/dbraw/zinc/55/86/66/1074558666.db2.gz IOLMWWYWVUNZHJ-BZZMCLGOSA-N 1 3 318.465 2.197 20 0 DEADHO CCn1cc([C@@H]2OCC[C@@H]2CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC001552375439 1074558676 /nfs/dbraw/zinc/55/86/76/1074558676.db2.gz IOLMWWYWVUNZHJ-BZZMCLGOSA-N 1 3 318.465 2.197 20 0 DEADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@@H]1CCCC[NH2+]C1 ZINC001552413777 1074572031 /nfs/dbraw/zinc/57/20/31/1074572031.db2.gz BEELIZXFDUABJA-MSOLQXFVSA-N 1 3 315.461 2.329 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCC[NH2+]C2)CN1Cc1ccccc1 ZINC001552425153 1074573842 /nfs/dbraw/zinc/57/38/42/1074573842.db2.gz ZUYWGNHGVKSLDJ-BPQIPLTHSA-N 1 3 315.461 2.155 20 0 DEADHO [NH3+]C[C@H]1CN(C(=O)c2cccc3c2CNC3)C[C@@H]1c1ccccc1 ZINC001552429080 1074575243 /nfs/dbraw/zinc/57/52/43/1074575243.db2.gz ACEPTQUUSGHIKZ-QFBILLFUSA-N 1 3 321.424 2.104 20 0 DEADHO c1c2c(sc1-c1nc([C@@H]3CN4CCC3CC4)no1)CC[NH2+]C2 ZINC001552471203 1074583888 /nfs/dbraw/zinc/58/38/88/1074583888.db2.gz ZHQXWCFQCFCERV-GFCCVEGCSA-N 1 3 316.430 2.253 20 0 DEADHO CCn1cc([C@@H]2OCC[C@@H]2C[N@@H+]2CCC[C@@H](N(C)C)CC2)cn1 ZINC001552534868 1074603564 /nfs/dbraw/zinc/60/35/64/1074603564.db2.gz WETYOAIFRATARW-KBAYOESNSA-N 1 3 320.481 2.397 20 0 DEADHO CCn1cc([C@@H]2OCC[C@@H]2C[N@H+]2CCC[C@@H](N(C)C)CC2)cn1 ZINC001552534868 1074603567 /nfs/dbraw/zinc/60/35/67/1074603567.db2.gz WETYOAIFRATARW-KBAYOESNSA-N 1 3 320.481 2.397 20 0 DEADHO CCn1cc([C@@H]2OCC[C@@H]2CN2CCC[C@@H]([NH+](C)C)CC2)cn1 ZINC001552534868 1074603575 /nfs/dbraw/zinc/60/35/75/1074603575.db2.gz WETYOAIFRATARW-KBAYOESNSA-N 1 3 320.481 2.397 20 0 DEADHO CCn1ccnc1[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC001552854613 1074680902 /nfs/dbraw/zinc/68/09/02/1074680902.db2.gz OVRBQZTZARBXRH-BRWVUGGUSA-N 1 3 320.481 2.397 20 0 DEADHO CCn1ccnc1[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC001552854613 1074680904 /nfs/dbraw/zinc/68/09/04/1074680904.db2.gz OVRBQZTZARBXRH-BRWVUGGUSA-N 1 3 320.481 2.397 20 0 DEADHO CCn1ccnc1[C@@H]1OCC[C@@H]1CN1CCC[C@@H]([NH+](C)C)CC1 ZINC001552854613 1074680909 /nfs/dbraw/zinc/68/09/09/1074680909.db2.gz OVRBQZTZARBXRH-BRWVUGGUSA-N 1 3 320.481 2.397 20 0 DEADHO CC1(C)[C@@H]2NCCC[C@H]2[C@H]1[NH2+]C1CCN(CC(F)F)CC1 ZINC001553023647 1074738820 /nfs/dbraw/zinc/73/88/20/1074738820.db2.gz KOPXZJGFPKFFJT-BPLDGKMQSA-N 1 3 301.425 2.082 20 0 DEADHO CC1(C)[C@@H]2NCCC[C@@H]2[C@@H]1[NH2+]C1CCN(CC(F)F)CC1 ZINC001553023648 1074739145 /nfs/dbraw/zinc/73/91/45/1074739145.db2.gz KOPXZJGFPKFFJT-CFVMTHIKSA-N 1 3 301.425 2.082 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCCC2(CC[NH2+]CC2)C1 ZINC001647244213 1074855039 /nfs/dbraw/zinc/85/50/39/1074855039.db2.gz RJZQVSALXQEQFB-IYBDPMFKSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCCC[C@@H]1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001647248177 1074856647 /nfs/dbraw/zinc/85/66/47/1074856647.db2.gz NUSDPMCQZJUKFZ-OKZBNKHCSA-N 1 3 321.509 2.489 20 0 DEADHO COCCn1cc(CN[C@@H](CCC[NH3+])c2ccccc2)cn1 ZINC001650036724 1079371343 /nfs/dbraw/zinc/37/13/43/1079371343.db2.gz JSXKPIQRNMSWGA-KRWDZBQOSA-N 1 3 302.422 2.099 20 0 DEADHO COCCn1cc(CN[C@H](CCC[NH3+])c2ccccc2)cn1 ZINC001650036725 1079371426 /nfs/dbraw/zinc/37/14/26/1079371426.db2.gz JSXKPIQRNMSWGA-QGZVFWFLSA-N 1 3 302.422 2.099 20 0 DEADHO CC/C=C/CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC001566610520 1075296529 /nfs/dbraw/zinc/29/65/29/1075296529.db2.gz FYOAKWZHLWOMIA-FUTAKVPZSA-N 1 3 307.482 2.360 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CC2=CCCCC2)C1)N(C)C ZINC001267751697 1079453170 /nfs/dbraw/zinc/45/31/70/1079453170.db2.gz JDHHZIKXUHQPGB-IAGOWNOFSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2=CCCCC2)C1)N(C)C ZINC001267751697 1079453173 /nfs/dbraw/zinc/45/31/73/1079453173.db2.gz JDHHZIKXUHQPGB-IAGOWNOFSA-N 1 3 307.482 2.264 20 0 DEADHO c1c(C[NH2+]CCCOC2CCOCC2)sc2c1CNCC2 ZINC001580887749 1076014524 /nfs/dbraw/zinc/01/45/24/1076014524.db2.gz GZFOWLUEOCGWJM-UHFFFAOYSA-N 1 3 310.463 2.069 20 0 DEADHO c1c(CNCC[C@@H]2OCCc3ccccc32)onc1C1C[NH2+]C1 ZINC001580895977 1076017873 /nfs/dbraw/zinc/01/78/73/1076017873.db2.gz VYMGDELCUOOGMS-SFHVURJKSA-N 1 3 313.401 2.155 20 0 DEADHO C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC001589973210 1076540588 /nfs/dbraw/zinc/54/05/88/1076540588.db2.gz DJMWLAVMKOMOGP-QWRGUYRKSA-N 1 3 318.400 2.045 20 0 DEADHO C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(-c2nn[n-]n2)cc1F ZINC001589973210 1076540591 /nfs/dbraw/zinc/54/05/91/1076540591.db2.gz DJMWLAVMKOMOGP-QWRGUYRKSA-N 1 3 318.400 2.045 20 0 DEADHO C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C[NH2+]CCC1CC1 ZINC001484380401 1079578330 /nfs/dbraw/zinc/57/83/30/1079578330.db2.gz MYAVUJPUSHDLHV-WMZOPIPTSA-N 1 3 321.509 2.203 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC001484382024 1079580315 /nfs/dbraw/zinc/58/03/15/1079580315.db2.gz CMSACVYOVXRCCU-HOTGVXAUSA-N 1 3 311.514 2.449 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)N(C)C ZINC001484389040 1079584121 /nfs/dbraw/zinc/58/41/21/1079584121.db2.gz UWNLITUEAPSIKQ-YYIAUSFCSA-N 1 3 307.482 2.096 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)N(C)C ZINC001484389040 1079584127 /nfs/dbraw/zinc/58/41/27/1079584127.db2.gz UWNLITUEAPSIKQ-YYIAUSFCSA-N 1 3 307.482 2.096 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC001650413645 1079602824 /nfs/dbraw/zinc/60/28/24/1079602824.db2.gz QCXKTENWTGDNHO-OAGGEKHMSA-N 1 3 307.482 2.369 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001481344208 1079737907 /nfs/dbraw/zinc/73/79/07/1079737907.db2.gz VXKSLTUJITZGTK-GDBMZVCRSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H](F)CC[N@H+](C)CCCN(C)C(=O)CN1CCC(C)CC1 ZINC001484761261 1079774522 /nfs/dbraw/zinc/77/45/22/1079774522.db2.gz CIWYHBAUXLZLRJ-MRXNPFEDSA-N 1 3 315.477 2.247 20 0 DEADHO C[C@@H](F)CC[N@@H+](C)CCCN(C)C(=O)CN1CCC(C)CC1 ZINC001484761261 1079774529 /nfs/dbraw/zinc/77/45/29/1079774529.db2.gz CIWYHBAUXLZLRJ-MRXNPFEDSA-N 1 3 315.477 2.247 20 0 DEADHO CN1CCN(c2ncccc2C[NH2+]Cc2cccc(F)c2)CC1 ZINC000066877006 1079862527 /nfs/dbraw/zinc/86/25/27/1079862527.db2.gz SDXUYSXREZRQNA-UHFFFAOYSA-N 1 3 314.408 2.262 20 0 DEADHO CC(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001496410139 1079878782 /nfs/dbraw/zinc/87/87/82/1079878782.db2.gz BPZJNAPSMGRBDZ-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CN(C)CCN1C ZINC001653132469 1079915376 /nfs/dbraw/zinc/91/53/76/1079915376.db2.gz WFCOMIXSPYBIOT-LPHOPBHVSA-N 1 3 322.541 2.007 20 0 DEADHO CC[N@H+](CCC1CC1)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001485033938 1079930404 /nfs/dbraw/zinc/93/04/04/1079930404.db2.gz XMMZIPPTSCHBMN-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CC[N@@H+](CCC1CC1)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001485033938 1079930409 /nfs/dbraw/zinc/93/04/09/1079930409.db2.gz XMMZIPPTSCHBMN-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO C[C@H](C[NH2+]C/C=C\c1ccccc1)N(C)C(=O)[C@H]1CCCN1C ZINC001268053052 1079975634 /nfs/dbraw/zinc/97/56/34/1079975634.db2.gz CCEHNCHVSJBLKX-JAYNKOPWSA-N 1 3 315.461 2.231 20 0 DEADHO CC/C=C\CC[NH2+]CC1CC(NC(=O)C2(N(C)C)CCC2)C1 ZINC001485095171 1079978305 /nfs/dbraw/zinc/97/83/05/1079978305.db2.gz YYXNAKWTRKFUND-WAYWQWQTSA-N 1 3 307.482 2.311 20 0 DEADHO Cc1ccc(F)cc1C[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)C(C)C ZINC001485229708 1080078381 /nfs/dbraw/zinc/07/83/81/1080078381.db2.gz KWIDNOVUFVYRIM-HUUCEWRRSA-N 1 3 323.456 2.457 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@@H]1CC[NH2+]CCC1CC1)N(C)C ZINC001268154876 1080128360 /nfs/dbraw/zinc/12/83/60/1080128360.db2.gz UBHDPXGDBKIXCE-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)CCNC/C(Cl)=C\Cl)[NH+](C)C ZINC001268375727 1080393628 /nfs/dbraw/zinc/39/36/28/1080393628.db2.gz WRFKTQCTSOZFGL-OVJSSFAUSA-N 1 3 324.296 2.376 20 0 DEADHO CC[N@H+](C)CCC(=O)N(C)[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001481748256 1080435312 /nfs/dbraw/zinc/43/53/12/1080435312.db2.gz OTSIANKVMRQDKG-GOSISDBHSA-N 1 3 317.477 2.370 20 0 DEADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001481748256 1080435319 /nfs/dbraw/zinc/43/53/19/1080435319.db2.gz OTSIANKVMRQDKG-GOSISDBHSA-N 1 3 317.477 2.370 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]([NH2+]CC1=CCCCC1)C1CC1 ZINC001661193073 1080454624 /nfs/dbraw/zinc/45/46/24/1080454624.db2.gz PYAZFRIXRMBRTE-QGZVFWFLSA-N 1 3 307.482 2.311 20 0 DEADHO CCN(CCNC/C=C\Cl)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001268449440 1080475614 /nfs/dbraw/zinc/47/56/14/1080475614.db2.gz CIIGXMWBMRDWRZ-HJWRWDBZSA-N 1 3 315.889 2.442 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCC2CC2)[C@H](C)C1 ZINC001107036518 1080551938 /nfs/dbraw/zinc/55/19/38/1080551938.db2.gz NINQZUBULQBHHI-KBAYOESNSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC=C(Cl)Cl)C1)N(C)C ZINC001662686123 1080634935 /nfs/dbraw/zinc/63/49/35/1080634935.db2.gz WVMFRUPQGZWKAQ-RYUDHWBXSA-N 1 3 322.280 2.084 20 0 DEADHO C[C@H](C(=O)N[C@@](C)(C[NH2+]CCF)C1CC1)N1CCCCCC1 ZINC001481945159 1080635066 /nfs/dbraw/zinc/63/50/66/1080635066.db2.gz WUKOYQADMLMQRG-PBHICJAKSA-N 1 3 313.461 2.095 20 0 DEADHO CC(C)C[NH2+]CC[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001481983335 1080666099 /nfs/dbraw/zinc/66/60/99/1080666099.db2.gz IAAVDIICAUKBEA-IAGOWNOFSA-N 1 3 309.498 2.203 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NC[C@H]1CCC[N@@H+]1CC=C(C)C ZINC001663497542 1080757096 /nfs/dbraw/zinc/75/70/96/1080757096.db2.gz FIOIZQZYNAPKQW-HZPDHXFCSA-N 1 3 313.461 2.213 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NC[C@H]1CCC[N@H+]1CC=C(C)C ZINC001663497542 1080757104 /nfs/dbraw/zinc/75/71/04/1080757104.db2.gz FIOIZQZYNAPKQW-HZPDHXFCSA-N 1 3 313.461 2.213 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[NH2+]CCC(F)(F)F)CCC1 ZINC001482058650 1080763290 /nfs/dbraw/zinc/76/32/90/1080763290.db2.gz DHGKMDISFFWQFR-GFCCVEGCSA-N 1 3 321.387 2.004 20 0 DEADHO CC/C=C/CC[N@@H+]1CC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001663593889 1080784581 /nfs/dbraw/zinc/78/45/81/1080784581.db2.gz XNBIBERCQUTISM-APHBUQMISA-N 1 3 307.482 2.265 20 0 DEADHO CC/C=C/CC[N@H+]1CC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001663593889 1080784588 /nfs/dbraw/zinc/78/45/88/1080784588.db2.gz XNBIBERCQUTISM-APHBUQMISA-N 1 3 307.482 2.265 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001482141970 1080857926 /nfs/dbraw/zinc/85/79/26/1080857926.db2.gz HEFIQBZFBXPLMX-HOTGVXAUSA-N 1 3 317.477 2.179 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCNCc2ccsc2)C1 ZINC001664135478 1080865402 /nfs/dbraw/zinc/86/54/02/1080865402.db2.gz YNLLNBODMSFBNI-INIZCTEOSA-N 1 3 323.506 2.418 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)CCNCc2ccsc2)C1 ZINC001664135478 1080865414 /nfs/dbraw/zinc/86/54/14/1080865414.db2.gz YNLLNBODMSFBNI-INIZCTEOSA-N 1 3 323.506 2.418 20 0 DEADHO CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc1cc(C)sc1C)N(C)C ZINC001268617637 1080894923 /nfs/dbraw/zinc/89/49/23/1080894923.db2.gz ONRAEPWUDNKKTO-WAVCKPEOSA-N 1 3 323.506 2.467 20 0 DEADHO Cc1ccc(C)c(C[NH2+]C/C=C/CNC(=O)CN2CCCC2)c1 ZINC001268625545 1080902527 /nfs/dbraw/zinc/90/25/27/1080902527.db2.gz PPPDBYKPARPPLT-ONEGZZNKSA-N 1 3 315.461 2.161 20 0 DEADHO CC[C@@H](C(=O)NC1(C[NH2+]C/C=C/Cl)CCCC1)N(C)C ZINC001665948411 1081101534 /nfs/dbraw/zinc/10/15/34/1081101534.db2.gz TUBQDXCQXIDWCN-RSPDNQDQSA-N 1 3 301.862 2.098 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H](CC[NH2+]C/C=C\Cl)C1)N(C)C ZINC001666120137 1081125773 /nfs/dbraw/zinc/12/57/73/1081125773.db2.gz OAUZCZYRUNNLGL-XDHNQJSPSA-N 1 3 315.889 2.297 20 0 DEADHO CCCC[NH2+]CC[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001269742072 1081351886 /nfs/dbraw/zinc/35/18/86/1081351886.db2.gz RLXXEUBGOMBNGQ-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001668558583 1081368578 /nfs/dbraw/zinc/36/85/78/1081368578.db2.gz WZIGLRBPJWSPNX-KRWDZBQOSA-N 1 3 323.456 2.412 20 0 DEADHO CC[C@@H](F)CNCCN(CC)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001668575736 1081370086 /nfs/dbraw/zinc/37/00/86/1081370086.db2.gz VPNKUUPWWWUPFT-JKSUJKDBSA-N 1 3 315.477 2.437 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]2C[NH2+]CCC2CCCC2)C1 ZINC001270136680 1081458092 /nfs/dbraw/zinc/45/80/92/1081458092.db2.gz PAUSLXLGISFXDT-AEFFLSMTSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC[C@@H]1CC1(Cl)Cl)N(C)C ZINC001669592008 1081459342 /nfs/dbraw/zinc/45/93/42/1081459342.db2.gz NWGYTJVLPBOPHQ-QJPTWQEYSA-N 1 3 324.296 2.005 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC(C)C ZINC001270193838 1081471100 /nfs/dbraw/zinc/47/11/00/1081471100.db2.gz NFPYTHTYPNBJQT-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCC(CC)CN1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000951199478 1081489537 /nfs/dbraw/zinc/48/95/37/1081489537.db2.gz XHYLYSDIUULURJ-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCC1)N(C)C ZINC001270293399 1081495450 /nfs/dbraw/zinc/49/54/50/1081495450.db2.gz POUGSSODPAZJNJ-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]([NH2+]CCCN(C)C(=O)Cc1c[nH]cn1)c1ccc(F)cc1 ZINC001670261572 1081506590 /nfs/dbraw/zinc/50/65/90/1081506590.db2.gz QSPSWCLXTVUCEH-ZDUSSCGKSA-N 1 3 318.396 2.291 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CCCCCF)CCN1C(=O)CN1CCCC1 ZINC001671256850 1081588809 /nfs/dbraw/zinc/58/88/09/1081588809.db2.gz LKKQYOOMAMAOBL-HZPDHXFCSA-N 1 3 313.461 2.191 20 0 DEADHO C[C@@H](CNCc1cc2ccccc2o1)N(C)C(=O)CC[NH+](C)C ZINC001482327304 1081721323 /nfs/dbraw/zinc/72/13/23/1081721323.db2.gz ZIWAXRZXBNJZJS-AWEZNQCLSA-N 1 3 317.433 2.321 20 0 DEADHO C[C@H](C[NH2+]CCC(F)(F)F)N(C)C(=O)CN1CCC(C)CC1 ZINC001482346216 1081745752 /nfs/dbraw/zinc/74/57/52/1081745752.db2.gz YEZDTTKVTOOHHN-CYBMUJFWSA-N 1 3 323.403 2.107 20 0 DEADHO [NH3+]C1CC(CC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC001648965663 1081960450 /nfs/dbraw/zinc/96/04/50/1081960450.db2.gz QQEAWHJIFOBQNV-VJFUWPCTSA-N 1 3 315.461 2.457 20 0 DEADHO CCCC[C@H](CC)CN1C[C@H]2C[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001271222648 1081993882 /nfs/dbraw/zinc/99/38/82/1081993882.db2.gz CIDIDKYKYLSIMY-XLAORIBOSA-N 1 3 321.509 2.440 20 0 DEADHO CCCC[C@H](CC)CN1C[C@H]2C[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001271222648 1081993888 /nfs/dbraw/zinc/99/38/88/1081993888.db2.gz CIDIDKYKYLSIMY-XLAORIBOSA-N 1 3 321.509 2.440 20 0 DEADHO CCCCC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001271402005 1082030485 /nfs/dbraw/zinc/03/04/85/1082030485.db2.gz BGHJQOJRVHWEMY-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CN(CCNC(=O)CC[C@H]1CCC[N@@H+]1C)CC1=CCCCC1 ZINC001480875774 1082067917 /nfs/dbraw/zinc/06/79/17/1082067917.db2.gz UXUQNPIXIWPHCM-QGZVFWFLSA-N 1 3 307.482 2.409 20 0 DEADHO CN(CCNC(=O)CC[C@H]1CCC[N@H+]1C)CC1=CCCCC1 ZINC001480875774 1082067925 /nfs/dbraw/zinc/06/79/25/1082067925.db2.gz UXUQNPIXIWPHCM-QGZVFWFLSA-N 1 3 307.482 2.409 20 0 DEADHO CCCCCC[N@@H+]1CC[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001266533885 1082127689 /nfs/dbraw/zinc/12/76/89/1082127689.db2.gz RYJQYEGXBZQTEE-IRXDYDNUSA-N 1 3 309.498 2.347 20 0 DEADHO CCCCCC[N@H+]1CC[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001266533885 1082127692 /nfs/dbraw/zinc/12/76/92/1082127692.db2.gz RYJQYEGXBZQTEE-IRXDYDNUSA-N 1 3 309.498 2.347 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CC3=CCCCC3)C2)CCC1 ZINC001266598350 1082183273 /nfs/dbraw/zinc/18/32/73/1082183273.db2.gz PZDJANPSOQNCSK-WKILWMFISA-N 1 3 305.466 2.208 20 0 DEADHO CN(CC[NH2+]CCC1CCCCCC1)C(=O)[C@@H]1CCCN1C ZINC001266659840 1082256096 /nfs/dbraw/zinc/25/60/96/1082256096.db2.gz IHYAOUOMHFLAHC-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CCc1ccc(C[NH2+]CCN(C)C(=O)CN(C)C2CCC2)cc1 ZINC001266726504 1082306617 /nfs/dbraw/zinc/30/66/17/1082306617.db2.gz YRZOJMCLLINFFL-UHFFFAOYSA-N 1 3 317.477 2.281 20 0 DEADHO Cc1cccc(C[NH2+]CCN(C)C(=O)CN2CCC(C)CC2)c1 ZINC001266910882 1082448247 /nfs/dbraw/zinc/44/82/47/1082448247.db2.gz AENSECSCQZHDSZ-UHFFFAOYSA-N 1 3 317.477 2.275 20 0 DEADHO CCCC[NH2+][C@@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001266972182 1082484740 /nfs/dbraw/zinc/48/47/40/1082484740.db2.gz WIVWKVZUCMWSDA-BBRMVZONSA-N 1 3 301.450 2.093 20 0 DEADHO C[C@H](CC[NH2+]Cc1ccccc1F)NC(=O)CN1CC[C@H](C)C1 ZINC001482870847 1082538306 /nfs/dbraw/zinc/53/83/06/1082538306.db2.gz HNILLTMNLYZUSM-LSDHHAIUSA-N 1 3 321.440 2.152 20 0 DEADHO CC1CCN(CC(=O)NC/C=C/C[NH2+]CC2CCCC2)CC1 ZINC001483077368 1082693152 /nfs/dbraw/zinc/69/31/52/1082693152.db2.gz JGSVBZCJZATDMU-SNAWJCMRSA-N 1 3 307.482 2.171 20 0 DEADHO Cc1cccc(C[NH2+]C/C=C/CNC(=O)CN(C)C(C)C)c1 ZINC001483098191 1082706273 /nfs/dbraw/zinc/70/62/73/1082706273.db2.gz PCHIWMXJZGFFAX-AATRIKPKSA-N 1 3 303.450 2.097 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)C2CCC2)cc1 ZINC001409403326 1082869421 /nfs/dbraw/zinc/86/94/21/1082869421.db2.gz VVIXSUGIQLYKSZ-CVEARBPZSA-N 1 3 317.477 2.462 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001409469755 1082907073 /nfs/dbraw/zinc/90/70/73/1082907073.db2.gz MEWKTIPGQBLWGR-LSDHHAIUSA-N 1 3 309.498 2.390 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C/C=C/Cl)C1 ZINC001496870176 1083060040 /nfs/dbraw/zinc/06/00/40/1083060040.db2.gz RIQNFEKLEGNFBU-SJPZSHDVSA-N 1 3 313.873 2.004 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C/C=C/Cl)C1 ZINC001496870176 1083060045 /nfs/dbraw/zinc/06/00/45/1083060045.db2.gz RIQNFEKLEGNFBU-SJPZSHDVSA-N 1 3 313.873 2.004 20 0 DEADHO C[C@@H](CNC/C=C\Cl)NC(=O)CCC[NH+]1CCCCC1 ZINC001483293188 1083077735 /nfs/dbraw/zinc/07/77/35/1083077735.db2.gz OWUJOFQZSMKEOU-QPBFKRLHSA-N 1 3 301.862 2.099 20 0 DEADHO C[C@@H](C[NH2+]CC1CCC1)NC(=O)c1cccc(CN(C)C)c1 ZINC001483296337 1083081106 /nfs/dbraw/zinc/08/11/06/1083081106.db2.gz DRAXHRFVONGERH-AWEZNQCLSA-N 1 3 303.450 2.256 20 0 DEADHO CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC001107485203 1083426974 /nfs/dbraw/zinc/42/69/74/1083426974.db2.gz OWIIJRHNDZMCCE-ZIFCJYIRSA-N 1 3 319.493 2.242 20 0 DEADHO CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC001107485203 1083426981 /nfs/dbraw/zinc/42/69/81/1083426981.db2.gz OWIIJRHNDZMCCE-ZIFCJYIRSA-N 1 3 319.493 2.242 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001276522360 1083479695 /nfs/dbraw/zinc/47/96/95/1083479695.db2.gz KPMXSLLEGCIPDR-YKZUCCNHSA-N 1 3 307.482 2.075 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001276522360 1083479700 /nfs/dbraw/zinc/47/97/00/1083479700.db2.gz KPMXSLLEGCIPDR-YKZUCCNHSA-N 1 3 307.482 2.075 20 0 DEADHO Cc1ncccc1CN[C@@]12CC[C@@]([NH2+]CCN(C)C)(C1)CCC2 ZINC001276622862 1083518457 /nfs/dbraw/zinc/51/84/57/1083518457.db2.gz ORIDYVCSDHIXKW-MOPGFXCFSA-N 1 3 316.493 2.476 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001413412681 1083568570 /nfs/dbraw/zinc/56/85/70/1083568570.db2.gz QUKBPNWTCBTRGP-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO C[NH+](C)CCN1CC2(CN(CCCc3cccc(Cl)c3)C2)C1 ZINC001276746729 1083585984 /nfs/dbraw/zinc/58/59/84/1083585984.db2.gz NJMSJAUJXYYOCI-UHFFFAOYSA-N 1 3 321.896 2.452 20 0 DEADHO CN(C)CC[N@@H+]1CCC2(CN(Cc3cccc4cccnc43)C2)C1 ZINC001276783134 1083608224 /nfs/dbraw/zinc/60/82/24/1083608224.db2.gz MLRYIAJBYQSECA-UHFFFAOYSA-N 1 3 324.472 2.304 20 0 DEADHO CN(C)CC[N@H+]1CCC2(CN(Cc3cccc4cccnc43)C2)C1 ZINC001276783134 1083608226 /nfs/dbraw/zinc/60/82/26/1083608226.db2.gz MLRYIAJBYQSECA-UHFFFAOYSA-N 1 3 324.472 2.304 20 0 DEADHO CCC/C=C\CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC001279208737 1083731011 /nfs/dbraw/zinc/73/10/11/1083731011.db2.gz IAYKHXPAJQJUFL-GLFNWFFDSA-N 1 3 307.482 2.406 20 0 DEADHO CC(C)=CCN1CC([C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001276388666 1083925389 /nfs/dbraw/zinc/92/53/89/1083925389.db2.gz JTKVQFQINKBLMU-WBVHZDCISA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)=CCN1CC([C@@H](C)NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001276388666 1083925395 /nfs/dbraw/zinc/92/53/95/1083925395.db2.gz JTKVQFQINKBLMU-WBVHZDCISA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2cc3c(s2)CNCC3)C1 ZINC001649049106 1084042448 /nfs/dbraw/zinc/04/24/48/1084042448.db2.gz VJYBRZCWCOCQPC-KRWDZBQOSA-N 1 3 321.490 2.231 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN(C)C(C)C)C2)c(C)c1 ZINC001491079698 1084053471 /nfs/dbraw/zinc/05/34/71/1084053471.db2.gz DNFJDNDLQQFSBI-HDICACEKSA-N 1 3 317.477 2.380 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+](CCC2CC2)C1)N(C)C ZINC001491119829 1084085212 /nfs/dbraw/zinc/08/52/12/1084085212.db2.gz JFTLPQHHXWQSBP-IAGOWNOFSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+](CCC2CC2)C1)N(C)C ZINC001491119829 1084085222 /nfs/dbraw/zinc/08/52/22/1084085222.db2.gz JFTLPQHHXWQSBP-IAGOWNOFSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)CC[C@@H](N)C(=O)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC001649089319 1084105965 /nfs/dbraw/zinc/10/59/65/1084105965.db2.gz HPWQWCMGGDXYGH-NVXWUHKLSA-N 1 3 309.498 2.378 20 0 DEADHO CCCCCCN(C)CC(=O)NCCC[NH2+]Cc1conc1C ZINC001168595958 1084114553 /nfs/dbraw/zinc/11/45/53/1084114553.db2.gz OMVXPCZMXKFZFX-UHFFFAOYSA-N 1 3 324.469 2.091 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001491172962 1084129011 /nfs/dbraw/zinc/12/90/11/1084129011.db2.gz DEXBWWWHLWBWJX-MRXNPFEDSA-N 1 3 318.465 2.361 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H](C[NH2+]CCC2CCCC2)C1 ZINC001491172960 1084129405 /nfs/dbraw/zinc/12/94/05/1084129405.db2.gz DEXBWWWHLWBWJX-INIZCTEOSA-N 1 3 318.465 2.361 20 0 DEADHO CN(C)CCN1CC[C@]2(CC[N@H+](CCC3CCCCC3)C2)C1=O ZINC001272862724 1084390702 /nfs/dbraw/zinc/39/07/02/1084390702.db2.gz NEDMCBXZJVSNFB-IBGZPJMESA-N 1 3 321.509 2.443 20 0 DEADHO CN(C)CCN1CC[C@]2(CC[N@@H+](CCC3CCCCC3)C2)C1=O ZINC001272862724 1084390713 /nfs/dbraw/zinc/39/07/13/1084390713.db2.gz NEDMCBXZJVSNFB-IBGZPJMESA-N 1 3 321.509 2.443 20 0 DEADHO Cc1nc(CN2CCCC23CCN(C[C@@H](C)[NH3+])CC3)cs1 ZINC001235487574 1084445391 /nfs/dbraw/zinc/44/53/91/1084445391.db2.gz HCJLXBLTCAHPOI-CYBMUJFWSA-N 1 3 308.495 2.229 20 0 DEADHO [NH3+]C1CN([C@@H]2CCCN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001236074148 1084604877 /nfs/dbraw/zinc/60/48/77/1084604877.db2.gz VNMRJFOLERSQPV-OAHLLOKOSA-N 1 3 313.367 2.313 20 0 DEADHO Cc1cc(CN(C)CCN2CC[NH2+]CC2)cc(C)c1OC(C)C ZINC001236080503 1084608721 /nfs/dbraw/zinc/60/87/21/1084608721.db2.gz DPHGIDVXSXAULA-UHFFFAOYSA-N 1 3 319.493 2.428 20 0 DEADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)NCCF ZINC001485875593 1084958636 /nfs/dbraw/zinc/95/86/36/1084958636.db2.gz QVUNMOBVFZNNQV-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)NCCF ZINC001485875593 1084958646 /nfs/dbraw/zinc/95/86/46/1084958646.db2.gz QVUNMOBVFZNNQV-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)NCc1ccccc1F ZINC001485922692 1084987029 /nfs/dbraw/zinc/98/70/29/1084987029.db2.gz PPMZFWRSBPEBQR-LSDHHAIUSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)NCc1ccccc1F ZINC001485922692 1084987034 /nfs/dbraw/zinc/98/70/34/1084987034.db2.gz PPMZFWRSBPEBQR-LSDHHAIUSA-N 1 3 321.440 2.104 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CCCC1 ZINC001485960184 1085022509 /nfs/dbraw/zinc/02/25/09/1085022509.db2.gz BBVRGHHFPUXKDI-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1ccc(CN2CCC[C@H](NC(=O)CC[NH+](C)C)[C@H]2C)cc1 ZINC001486178853 1085107905 /nfs/dbraw/zinc/10/79/05/1085107905.db2.gz GBRGYNAAPURFPN-AEFFLSMTSA-N 1 3 317.477 2.416 20 0 DEADHO C[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCCN1Cc1ccccc1 ZINC001486182158 1085109922 /nfs/dbraw/zinc/10/99/22/1085109922.db2.gz XMAGXDCSFSUXGN-WMZOPIPTSA-N 1 3 317.477 2.498 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(CC)CC)C[C@H]21 ZINC000960174717 1085138944 /nfs/dbraw/zinc/13/89/44/1085138944.db2.gz LGAMVSNKLXAIGP-XWTMOSNGSA-N 1 3 321.509 2.343 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(CC)CC)C[C@H]21 ZINC000960174717 1085138952 /nfs/dbraw/zinc/13/89/52/1085138952.db2.gz LGAMVSNKLXAIGP-XWTMOSNGSA-N 1 3 321.509 2.343 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1CC1)C(C)(C)C ZINC001486398707 1085262038 /nfs/dbraw/zinc/26/20/38/1085262038.db2.gz LQFJYRZZRGOPCJ-HZPDHXFCSA-N 1 3 309.498 2.391 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCC1)C1CCC1 ZINC000960666722 1085408341 /nfs/dbraw/zinc/40/83/41/1085408341.db2.gz FIRIIVAZDAQUKQ-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC1)C1CCC1 ZINC000960666722 1085408344 /nfs/dbraw/zinc/40/83/44/1085408344.db2.gz FIRIIVAZDAQUKQ-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]2C[N@H+](C)CC2CCC2)C1 ZINC000960861726 1085486069 /nfs/dbraw/zinc/48/60/69/1085486069.db2.gz HQPPODCKHKSECH-WBVHZDCISA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]2C[N@@H+](C)CC2CCC2)C1 ZINC000960861726 1085486072 /nfs/dbraw/zinc/48/60/72/1085486072.db2.gz HQPPODCKHKSECH-WBVHZDCISA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000960864456 1085488455 /nfs/dbraw/zinc/48/84/55/1085488455.db2.gz NMIAINDTAGNYAB-WMLDXEAASA-N 1 3 313.461 2.142 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000960864456 1085488460 /nfs/dbraw/zinc/48/84/60/1085488460.db2.gz NMIAINDTAGNYAB-WMLDXEAASA-N 1 3 313.461 2.142 20 0 DEADHO CCOC(=O)c1cc(CNCCCC[NH+]2CCC(C)CC2)[nH]n1 ZINC001329505988 1148906221 /nfs/dbraw/zinc/90/62/21/1148906221.db2.gz ACMINCYHVKPIKG-UHFFFAOYSA-N 1 3 322.453 2.188 20 0 DEADHO CC1CC(C[N@H+](C)C[C@@H]2CCCN2C(=O)CN2CCCC2)C1 ZINC000961026165 1085542066 /nfs/dbraw/zinc/54/20/66/1085542066.db2.gz CNUPBOQYXNYJOG-JCYILVPMSA-N 1 3 307.482 2.051 20 0 DEADHO CC1CC(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CN2CCCC2)C1 ZINC000961026165 1085542077 /nfs/dbraw/zinc/54/20/77/1085542077.db2.gz CNUPBOQYXNYJOG-JCYILVPMSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961441017 1085732468 /nfs/dbraw/zinc/73/24/68/1085732468.db2.gz MJXIYKAKAKVFFO-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961441017 1085732479 /nfs/dbraw/zinc/73/24/79/1085732479.db2.gz MJXIYKAKAKVFFO-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCC3)C[C@H]21)N1CCCCCC1 ZINC000961937615 1085913608 /nfs/dbraw/zinc/91/36/08/1085913608.db2.gz ABZDFAZCKFZGRF-DZJNRPSUSA-N 1 3 319.493 2.097 20 0 DEADHO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCC3)C[C@H]21)N1CCCCCC1 ZINC000961937615 1085913614 /nfs/dbraw/zinc/91/36/14/1085913614.db2.gz ABZDFAZCKFZGRF-DZJNRPSUSA-N 1 3 319.493 2.097 20 0 DEADHO [NH3+]CC1CCN(Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001205047518 1085936492 /nfs/dbraw/zinc/93/64/92/1085936492.db2.gz XQBTXIRAGQMWOL-UHFFFAOYSA-N 1 3 303.328 2.193 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+]Cc1ccc(C)c(C)c1 ZINC001128534119 1086190299 /nfs/dbraw/zinc/19/02/99/1086190299.db2.gz WAQZABSGJBSSPU-KRWDZBQOSA-N 1 3 323.456 2.189 20 0 DEADHO CC/C=C\CCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCN(C)C ZINC001273117296 1086254650 /nfs/dbraw/zinc/25/46/50/1086254650.db2.gz ZMRKZEPPJYASSA-MBZYTVFJSA-N 1 3 307.482 2.360 20 0 DEADHO CC/C=C\CCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCN(C)C ZINC001273117296 1086254660 /nfs/dbraw/zinc/25/46/60/1086254660.db2.gz ZMRKZEPPJYASSA-MBZYTVFJSA-N 1 3 307.482 2.360 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001168755081 1086483073 /nfs/dbraw/zinc/48/30/73/1086483073.db2.gz HQQYTTZSKHPBRD-AWEZNQCLSA-N 1 3 319.440 2.250 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+]CCCc1ccsc1 ZINC001168755606 1086505646 /nfs/dbraw/zinc/50/56/46/1086505646.db2.gz OEXBOAFHVCWNTL-UHFFFAOYSA-N 1 3 311.495 2.118 20 0 DEADHO [NH3+][C@H]1CC[C@H](C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000711053648 1086693099 /nfs/dbraw/zinc/69/30/99/1086693099.db2.gz VURQECGXVFLZLZ-KZNAEPCWSA-N 1 3 315.461 2.285 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+][C@@H](C)c1ccccc1F ZINC001168764290 1087690896 /nfs/dbraw/zinc/69/08/96/1087690896.db2.gz XNVLZZXAZOKYQT-AWEZNQCLSA-N 1 3 309.429 2.324 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]21)N(C)C ZINC001114795029 1088529522 /nfs/dbraw/zinc/52/95/22/1088529522.db2.gz URHNQITVRHXQCW-LTIDMASMSA-N 1 3 321.509 2.055 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]21)N(C)C ZINC001114795029 1088529538 /nfs/dbraw/zinc/52/95/38/1088529538.db2.gz URHNQITVRHXQCW-LTIDMASMSA-N 1 3 321.509 2.055 20 0 DEADHO O=C(CC[NH+]1CCCCC1)N1CCN(CC2CCCC2)CC1 ZINC000957774108 1088610871 /nfs/dbraw/zinc/61/08/71/1088610871.db2.gz IYHLMHAQDXRCNH-UHFFFAOYSA-N 1 3 307.482 2.197 20 0 DEADHO C[NH+](C)CCN1CC[C@@]2(C1)CCCN(Cc1cncc(F)c1)C2 ZINC001276341641 1089104618 /nfs/dbraw/zinc/10/46/18/1089104618.db2.gz QEXCWDGOIHEKBL-GOSISDBHSA-N 1 3 320.456 2.070 20 0 DEADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC1=CCCCC1 ZINC001082559969 1090007985 /nfs/dbraw/zinc/00/79/85/1090007985.db2.gz VDXHJPXQSBPECT-ZTFGCOKTSA-N 1 3 319.493 2.264 20 0 DEADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001082559723 1090008484 /nfs/dbraw/zinc/00/84/84/1090008484.db2.gz NNIBBAVJRNPAFM-XYPHTWIQSA-N 1 3 321.509 2.199 20 0 DEADHO C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)c1ccccc1 ZINC001082767032 1090072350 /nfs/dbraw/zinc/07/23/50/1090072350.db2.gz OVXNVWLVEBBVKX-JKIFEVAISA-N 1 3 312.417 2.150 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000172616678 1090102891 /nfs/dbraw/zinc/10/28/91/1090102891.db2.gz DOBQYMJGZMKMFJ-KRWDZBQOSA-N 1 3 307.482 2.240 20 0 DEADHO CN(C/C=C/Cl)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001410253502 1090475514 /nfs/dbraw/zinc/47/55/14/1090475514.db2.gz VWQFQQZRKKPCOV-WEVVVXLNSA-N 1 3 301.862 2.004 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]21 ZINC001084964766 1090550683 /nfs/dbraw/zinc/55/06/83/1090550683.db2.gz PKPQZAYDFAEMNT-IKGGRYGDSA-N 1 3 309.498 2.151 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]21 ZINC001084964766 1090550686 /nfs/dbraw/zinc/55/06/86/1090550686.db2.gz PKPQZAYDFAEMNT-IKGGRYGDSA-N 1 3 309.498 2.151 20 0 DEADHO Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCCN2C)cs1 ZINC001410346508 1090569514 /nfs/dbraw/zinc/56/95/14/1090569514.db2.gz NPNBZLXLWIAPRX-WFASDCNBSA-N 1 3 309.479 2.087 20 0 DEADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CCc1ccccc1F)N(C)C ZINC001410443560 1090682131 /nfs/dbraw/zinc/68/21/31/1090682131.db2.gz SXEFCGKJWAGZIL-YOEHRIQHSA-N 1 3 323.456 2.145 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2cccc(C)c2)C[C@@H]1C ZINC001410870826 1091179595 /nfs/dbraw/zinc/17/95/95/1091179595.db2.gz ILQOKIQKWBPOSF-FUHWJXTLSA-N 1 3 317.477 2.416 20 0 DEADHO CC(C)=CCC[C@H](C)CN1C[C@@H]2CN(CC[NH+](C)C)C[C@H](C1)O2 ZINC001275056922 1091532215 /nfs/dbraw/zinc/53/22/15/1091532215.db2.gz GGGASDUSJJDZCR-GBESFXJTSA-N 1 3 323.525 2.316 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NC2(CNCCF)CCCCC2)CC[N@@H+]1C ZINC001276200791 1091683951 /nfs/dbraw/zinc/68/39/51/1091683951.db2.gz VKZNUGWYVIYWIO-LSDHHAIUSA-N 1 3 313.461 2.095 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NC2(CNCCF)CCCCC2)CC[N@H+]1C ZINC001276200791 1091683954 /nfs/dbraw/zinc/68/39/54/1091683954.db2.gz VKZNUGWYVIYWIO-LSDHHAIUSA-N 1 3 313.461 2.095 20 0 DEADHO CCCN1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000948985069 1092020369 /nfs/dbraw/zinc/02/03/69/1092020369.db2.gz BSXNYBVJHIYNPZ-AEFFLSMTSA-N 1 3 315.461 2.064 20 0 DEADHO CCCN1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000948985069 1092020380 /nfs/dbraw/zinc/02/03/80/1092020380.db2.gz BSXNYBVJHIYNPZ-AEFFLSMTSA-N 1 3 315.461 2.064 20 0 DEADHO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@]3(CCN(C)C3)C2)cc1 ZINC001275786611 1092120241 /nfs/dbraw/zinc/12/02/41/1092120241.db2.gz VGMOJCBRWPPQCQ-IBGZPJMESA-N 1 3 316.445 2.320 20 0 DEADHO COC(=O)Cc1ccc(C[N@H+]2CCC[C@@]3(CCN(C)C3)C2)cc1 ZINC001275786611 1092120247 /nfs/dbraw/zinc/12/02/47/1092120247.db2.gz VGMOJCBRWPPQCQ-IBGZPJMESA-N 1 3 316.445 2.320 20 0 DEADHO Cc1ccc(CN2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)cn1 ZINC001275856346 1092237215 /nfs/dbraw/zinc/23/72/15/1092237215.db2.gz YIOYEQFUKNUJGA-UHFFFAOYSA-N 1 3 316.493 2.240 20 0 DEADHO Cc1ccc(CN2CCC3(CC[N@H+](CCN(C)C)C3)CC2)cn1 ZINC001275856346 1092237227 /nfs/dbraw/zinc/23/72/27/1092237227.db2.gz YIOYEQFUKNUJGA-UHFFFAOYSA-N 1 3 316.493 2.240 20 0 DEADHO C[C@H]1C[C@H](NC(=O)c2cccc(CC[NH+](C)C)c2)CN1C1CC1 ZINC001411895659 1092308814 /nfs/dbraw/zinc/30/88/14/1092308814.db2.gz GHPYLLDAAYJMIB-YOEHRIQHSA-N 1 3 315.461 2.146 20 0 DEADHO c1cn(CCN2CC3(C2)CC[NH+](Cc2ccoc2)CC3)cn1 ZINC001275947739 1092367229 /nfs/dbraw/zinc/36/72/29/1092367229.db2.gz YNCSHZLKEBIRKZ-UHFFFAOYSA-N 1 3 300.406 2.074 20 0 DEADHO CN1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cccc(Cl)c1 ZINC001273910539 1092499723 /nfs/dbraw/zinc/49/97/23/1092499723.db2.gz POFVMXVGKWXNOH-KZSQQDEKSA-N 1 3 321.852 2.196 20 0 DEADHO CC[C@@H](C)[N@@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001273924158 1092513888 /nfs/dbraw/zinc/51/38/88/1092513888.db2.gz YWVAXTLHDZBULH-BEFAXECRSA-N 1 3 315.461 2.337 20 0 DEADHO CC[C@@H](C)[N@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001273924158 1092513902 /nfs/dbraw/zinc/51/39/02/1092513902.db2.gz YWVAXTLHDZBULH-BEFAXECRSA-N 1 3 315.461 2.337 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001488872961 1092816524 /nfs/dbraw/zinc/81/65/24/1092816524.db2.gz SWTROEKYCUKUDS-QAQDUYKDSA-N 1 3 307.482 2.313 20 0 DEADHO CN(CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC2)C1)CC(C)(C)C ZINC001488954564 1092848687 /nfs/dbraw/zinc/84/86/87/1092848687.db2.gz KAMLOPMWEPXTLD-JKSUJKDBSA-N 1 3 309.498 2.249 20 0 DEADHO Cc1cccc(C[NH2+][C@@H](CNC(=O)CN(C)C(C)C)C2CC2)c1 ZINC001490742102 1093500653 /nfs/dbraw/zinc/50/06/53/1093500653.db2.gz MLARHLHTHLBMTL-SFHVURJKSA-N 1 3 317.477 2.320 20 0 DEADHO CC(C)C[NH2+]C[C@H](NC(=O)[C@H](C)N1CCCCCC1)C1CC1 ZINC001420767787 1171131892 /nfs/dbraw/zinc/13/18/92/1171131892.db2.gz FKSNYSJFHNZNRV-RDJZCZTQSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1ccc(O)cc1CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001238109814 1138823296 /nfs/dbraw/zinc/82/32/96/1138823296.db2.gz MCPSQJTUNFYPKM-UHFFFAOYSA-N 1 3 317.477 2.160 20 0 DEADHO Cc1cc(-c2cnccc2/C=C/N(C)C)cnc1N1CC[NH2+]CC1 ZINC001239741663 1139101373 /nfs/dbraw/zinc/10/13/73/1139101373.db2.gz CZOFZAONCWKPOZ-WEVVVXLNSA-N 1 3 323.444 2.394 20 0 DEADHO CN1CC=C(c2cccc(C(=O)N[C@H]3CC[C@H]([NH3+])CC3)c2)CC1 ZINC001241331981 1139789252 /nfs/dbraw/zinc/78/92/52/1139789252.db2.gz CJPDXBICKKTUGG-IYARVYRRSA-N 1 3 313.445 2.405 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001491684608 1140249102 /nfs/dbraw/zinc/24/91/02/1140249102.db2.gz WTIOHWCUZMQTAM-HNNXBMFYSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@H](CNC(=O)[C@H](C)N1CCCCCC1)[NH2+]CCCF ZINC001318582928 1140369186 /nfs/dbraw/zinc/36/91/86/1140369186.db2.gz WETVUAPSMMTHMY-LSDHHAIUSA-N 1 3 301.450 2.095 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2CC[NH2+]CC2CC2)C1 ZINC001319775626 1140711423 /nfs/dbraw/zinc/71/14/23/1140711423.db2.gz WVOLLTRLNDQCRK-RDJZCZTQSA-N 1 3 307.482 2.099 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@H]1CC[NH2+]C/C=C\Cl)N(C)C ZINC001319788991 1140715790 /nfs/dbraw/zinc/71/57/90/1140715790.db2.gz VLERZSPEUHLYJU-KZMHERFSSA-N 1 3 315.889 2.440 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CCCC(C)(C)C)CN1C(=O)CN1CCCC1 ZINC001278422450 1140840336 /nfs/dbraw/zinc/84/03/36/1140840336.db2.gz CZKGYSNHGHWGJT-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)(C)c1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCNC2)cc1 ZINC001245986662 1140841922 /nfs/dbraw/zinc/84/19/22/1140841922.db2.gz ZIKYBAYKRJOUHW-HZPDHXFCSA-N 1 3 306.450 2.065 20 0 DEADHO CC(C)[C@@H](N)C[NH2+]C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001246001337 1140844307 /nfs/dbraw/zinc/84/43/07/1140844307.db2.gz HMOLZHCJONQVEB-WBVHZDCISA-N 1 3 308.466 2.297 20 0 DEADHO N[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1cccc2ccccc21 ZINC001246017254 1140846517 /nfs/dbraw/zinc/84/65/17/1140846517.db2.gz IVLCWFKTKQBHCX-NXHRZFHOSA-N 1 3 314.429 2.439 20 0 DEADHO O[C@@]1(C[NH2+]C2CCC(Cc3ccccc3)CC2)CCNC[C@@H]1F ZINC001246089468 1140859410 /nfs/dbraw/zinc/85/94/10/1140859410.db2.gz QGCVMJPTPLLEER-WZOJCFFYSA-N 1 3 320.452 2.440 20 0 DEADHO C[C@@H]1C[NH2+]C[C@@H](CN[C@@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001246096230 1140860792 /nfs/dbraw/zinc/86/07/92/1140860792.db2.gz DOGJYQUJNNWWNS-RYQLBKOJSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@H]1CN[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001246106766 1140861397 /nfs/dbraw/zinc/86/13/97/1140861397.db2.gz FPNWIFVHPBYUBL-RYQLBKOJSA-N 1 3 315.461 2.269 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@H]1CN[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001246121733 1140863058 /nfs/dbraw/zinc/86/30/58/1140863058.db2.gz SELYWJQCVMSXIR-BPQIPLTHSA-N 1 3 315.461 2.126 20 0 DEADHO FC1(F)CNCC[C@@H]1CN[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246228694 1140875369 /nfs/dbraw/zinc/87/53/69/1140875369.db2.gz IUWZLYDLKFQMOU-ZIAGYGMSSA-N 1 3 301.425 2.276 20 0 DEADHO O=C(c1ccccc1)N1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246247182 1140877712 /nfs/dbraw/zinc/87/77/12/1140877712.db2.gz RFVDDTBGQQVMAZ-SOABOVLPSA-N 1 3 313.445 2.164 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CCC2CCN(C(=O)C(C)(C)C)CC2)CCN1 ZINC001246258619 1140878985 /nfs/dbraw/zinc/87/89/85/1140878985.db2.gz XRVYPGQKYFPIKV-ZBFHGGJFSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1ccc(F)c(CN2CCC([NH2+]C3CCNCC3)CC2)c1 ZINC001246361979 1140888030 /nfs/dbraw/zinc/88/80/30/1140888030.db2.gz ZHTYRGJEHVVKEY-UHFFFAOYSA-N 1 3 305.441 2.440 20 0 DEADHO NC(=O)[C@@H](N)CCCC[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001246403821 1140895008 /nfs/dbraw/zinc/89/50/08/1140895008.db2.gz IDNWAVRQPCSMOI-ABHNRTSZSA-N 1 3 317.477 2.360 20 0 DEADHO Cc1cccc(C2(CN[C@@H]3CC[NH2+][C@H](C)C3)CCOCC2)n1 ZINC001246441032 1140899589 /nfs/dbraw/zinc/89/95/89/1140899589.db2.gz XTDAXCQHUMSRCQ-HZPDHXFCSA-N 1 3 303.450 2.168 20 0 DEADHO Cc1cccc(C2(C[NH2+][C@@H]3CCN[C@H](C)C3)CCOCC2)n1 ZINC001246441032 1140899592 /nfs/dbraw/zinc/89/95/92/1140899592.db2.gz XTDAXCQHUMSRCQ-HZPDHXFCSA-N 1 3 303.450 2.168 20 0 DEADHO NC[C@H]1CCCC[N@@H+](C2CCN(C(=O)c3ccccc3)CC2)C1 ZINC001246582916 1140987804 /nfs/dbraw/zinc/98/78/04/1140987804.db2.gz PCNKXHFPJMGQOZ-MRXNPFEDSA-N 1 3 315.461 2.352 20 0 DEADHO NC[C@H]1CCCC[N@H+](C2CCN(C(=O)c3ccccc3)CC2)C1 ZINC001246582916 1140987815 /nfs/dbraw/zinc/98/78/15/1140987815.db2.gz PCNKXHFPJMGQOZ-MRXNPFEDSA-N 1 3 315.461 2.352 20 0 DEADHO [NH3+]CC1(F)CCN([C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001246631855 1141012309 /nfs/dbraw/zinc/01/23/09/1141012309.db2.gz XKDMASVLMUZMPS-MRXNPFEDSA-N 1 3 319.424 2.054 20 0 DEADHO CCCC[C@H]1C[C@H](N2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)CC[NH2+]1 ZINC001246775663 1141055414 /nfs/dbraw/zinc/05/54/14/1141055414.db2.gz RGDQFZYNUPBMEQ-ZWJWXYIHSA-N 1 3 322.493 2.423 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC/C=C/C[NH2+]CCC2=CCCCC2)C1 ZINC001321249091 1141099325 /nfs/dbraw/zinc/09/93/25/1141099325.db2.gz ICARMNSJVNRLAG-FUTAKVPZSA-N 1 3 319.493 2.481 20 0 DEADHO CN1CCC[C@H](N(Cc2ccccc2F)[C@@H]2CCC[NH2+]C2)C1 ZINC001246942121 1141158870 /nfs/dbraw/zinc/15/88/70/1141158870.db2.gz XJMNTTANRQPIFQ-SJORKVTESA-N 1 3 305.441 2.474 20 0 DEADHO FC(F)(F)[C@@H]1CNCCN1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246989118 1141221010 /nfs/dbraw/zinc/22/10/10/1141221010.db2.gz KJLYGBQSXKDNDO-ZDUSSCGKSA-N 1 3 305.388 2.135 20 0 DEADHO FC(F)(F)[C@@H]1CN(C2CCC3(CCC[NH2+]C3)CC2)CCN1 ZINC001246993026 1141231107 /nfs/dbraw/zinc/23/11/07/1141231107.db2.gz SGTIQOGHHXTVFP-MOKVOYLWSA-N 1 3 305.388 2.135 20 0 DEADHO CC(C)c1ccc(OC[C@H](O)C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC001250759804 1142308314 /nfs/dbraw/zinc/30/83/14/1142308314.db2.gz XPJZVPQSDRYAJE-FGTMMUONSA-N 1 3 318.461 2.043 20 0 DEADHO CC(C)c1ccc(OC[C@H](O)C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC001250759804 1142308322 /nfs/dbraw/zinc/30/83/22/1142308322.db2.gz XPJZVPQSDRYAJE-FGTMMUONSA-N 1 3 318.461 2.043 20 0 DEADHO CC(C)N1CC[C@@H]([NH2+]C[C@@H](O)COc2cccc(F)c2)[C@H](C)C1 ZINC001250842669 1142334005 /nfs/dbraw/zinc/33/40/05/1142334005.db2.gz UOYXMDFLZKMFHQ-QGPMSJSTSA-N 1 3 324.440 2.274 20 0 DEADHO O[C@@H](C[NH2+]CCc1c[nH]c2ccncc12)COc1ccccc1 ZINC001251247209 1142408445 /nfs/dbraw/zinc/40/84/45/1142408445.db2.gz BXQZHPUPMLSSMQ-HNNXBMFYSA-N 1 3 311.385 2.135 20 0 DEADHO CCN(CC)C[C@@H](O)C[NH2+]CCc1cccc(Cl)c1F ZINC001253214104 1142855383 /nfs/dbraw/zinc/85/53/83/1142855383.db2.gz NOXPMPJVJPRKBE-ZDUSSCGKSA-N 1 3 302.821 2.314 20 0 DEADHO NCCC[NH2+]CCCCn1cc(-c2ccccc2Cl)nn1 ZINC001254163847 1143051601 /nfs/dbraw/zinc/05/16/01/1143051601.db2.gz YVUWDDMOXKRLIR-UHFFFAOYSA-N 1 3 307.829 2.317 20 0 DEADHO C[N@@H+]1CCC[C@H](N[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001254499563 1143142458 /nfs/dbraw/zinc/14/24/58/1143142458.db2.gz JHSGXVZTZSJHCA-ZQIUZPCESA-N 1 3 309.454 2.070 20 0 DEADHO C[N@H+]1CCC[C@H](N[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001254499563 1143142466 /nfs/dbraw/zinc/14/24/66/1143142466.db2.gz JHSGXVZTZSJHCA-ZQIUZPCESA-N 1 3 309.454 2.070 20 0 DEADHO CN1CCC[C@H]([N@@H+]2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)CC1 ZINC001254517126 1143173776 /nfs/dbraw/zinc/17/37/76/1143173776.db2.gz SJUOPBDKZIJHTD-AVGNSLFASA-N 1 3 312.351 2.198 20 0 DEADHO CN1CCC[C@H]([N@H+]2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)CC1 ZINC001254517126 1143173798 /nfs/dbraw/zinc/17/37/98/1143173798.db2.gz SJUOPBDKZIJHTD-AVGNSLFASA-N 1 3 312.351 2.198 20 0 DEADHO Cc1noc([C@H]2C[C@@H]3CC[N@@H+]([C@@H]4CCCN(C)CC4)C[C@H]3O2)n1 ZINC001254518521 1143183593 /nfs/dbraw/zinc/18/35/93/1143183593.db2.gz NOJNINQVQOWYLI-ZJIFWQFVSA-N 1 3 320.437 2.014 20 0 DEADHO Cc1noc([C@H]2C[C@@H]3CC[N@H+]([C@@H]4CCCN(C)CC4)C[C@H]3O2)n1 ZINC001254518521 1143183620 /nfs/dbraw/zinc/18/36/20/1143183620.db2.gz NOJNINQVQOWYLI-ZJIFWQFVSA-N 1 3 320.437 2.014 20 0 DEADHO C[N@@H+]1CCC[C@H](N2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254521868 1143188025 /nfs/dbraw/zinc/18/80/25/1143188025.db2.gz ZDFVCEROQXJIOR-HNNXBMFYSA-N 1 3 323.481 2.414 20 0 DEADHO C[N@H+]1CCC[C@H](N2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254521868 1143188031 /nfs/dbraw/zinc/18/80/31/1143188031.db2.gz ZDFVCEROQXJIOR-HNNXBMFYSA-N 1 3 323.481 2.414 20 0 DEADHO C[N@@H+]1CCC[C@@H](N2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001254522605 1143207444 /nfs/dbraw/zinc/20/74/44/1143207444.db2.gz HPASMZIPBPSQLI-CABCVRRESA-N 1 3 311.470 2.460 20 0 DEADHO C[N@H+]1CCC[C@@H](N2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001254522605 1143207486 /nfs/dbraw/zinc/20/74/86/1143207486.db2.gz HPASMZIPBPSQLI-CABCVRRESA-N 1 3 311.470 2.460 20 0 DEADHO CC(C)(C)[C@@H]([NH3+])CC(=O)NCCCN1CCc2ccccc2C1 ZINC001340040420 1143244424 /nfs/dbraw/zinc/24/44/24/1143244424.db2.gz BECBKDYLGKVHAL-KRWDZBQOSA-N 1 3 317.477 2.315 20 0 DEADHO Cc1ccc([C@H](CNC(=O)CCSCCC[NH3+])N(C)C)cc1 ZINC001340055996 1143247762 /nfs/dbraw/zinc/24/77/62/1143247762.db2.gz FYOAQGPPEPABBJ-INIZCTEOSA-N 1 3 323.506 2.186 20 0 DEADHO [NH3+]C1(Cc2cccnc2)CCN(C2C[C@@H]3CC(=O)C[C@H]3C2)CC1 ZINC001254940329 1143364547 /nfs/dbraw/zinc/36/45/47/1143364547.db2.gz UXDWJBGLXRJMSG-HZPDHXFCSA-N 1 3 313.445 2.175 20 0 DEADHO Cn1cc(CN2CCCC23CC[NH+]([C@H]2CCSC2)CC3)cn1 ZINC001255283450 1143535863 /nfs/dbraw/zinc/53/58/63/1143535863.db2.gz DOSZZGMKBWADIO-INIZCTEOSA-N 1 3 320.506 2.356 20 0 DEADHO CC(C)NC(=O)C[NH2+][C@@H]1CCCN(Cc2ccccc2)CC1 ZINC001255384124 1143587538 /nfs/dbraw/zinc/58/75/38/1143587538.db2.gz TYLRTFSECYBTHB-QGZVFWFLSA-N 1 3 303.450 2.155 20 0 DEADHO CC(C)CNC(=O)C[NH2+][C@@H]1CCCN(Cc2ccccc2)CC1 ZINC001255390352 1143591081 /nfs/dbraw/zinc/59/10/81/1143591081.db2.gz BDIQOAUVNQTKMB-GOSISDBHSA-N 1 3 317.477 2.403 20 0 DEADHO [NH3+]CCCCN1CCN(C2CCC(C(F)(F)F)CC2)CC1 ZINC001255513446 1143721991 /nfs/dbraw/zinc/72/19/91/1143721991.db2.gz IFQNIETYBKYAED-UHFFFAOYSA-N 1 3 307.404 2.464 20 0 DEADHO CC1(C)C[C@H]([NH2+]C2CCN(CC3CCOCC3)CC2)CCO1 ZINC001255533282 1143730532 /nfs/dbraw/zinc/73/05/32/1143730532.db2.gz YVWVHYDWDJOIGZ-QGZVFWFLSA-N 1 3 310.482 2.425 20 0 DEADHO C[NH+](C)C[C@@]12C[C@@H]1CN([C@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001255918235 1143814943 /nfs/dbraw/zinc/81/49/43/1143814943.db2.gz SRXSGQHKJZVOTN-RVKKMQEKSA-N 1 3 323.481 2.269 20 0 DEADHO CCN(CC)CC[C@H](C)[NH2+][C@@H](CO)Cc1cccc(OC)c1 ZINC001255948862 1143816137 /nfs/dbraw/zinc/81/61/37/1143816137.db2.gz QSTNHCFFXVGOBJ-DOTOQJQBSA-N 1 3 308.466 2.309 20 0 DEADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCN(C(=O)C(F)(F)F)CC2)C1 ZINC001255977564 1143818763 /nfs/dbraw/zinc/81/87/63/1143818763.db2.gz OYYKIGXYVCPTCA-OLZOCXBDSA-N 1 3 321.387 2.002 20 0 DEADHO FC(F)(F)c1nn(C2CC[NH+](C3CC3)CC2)c2c1CNCC2 ZINC001256080897 1143828896 /nfs/dbraw/zinc/82/88/96/1143828896.db2.gz GXLCYGYVUPNYMR-UHFFFAOYSA-N 1 3 314.355 2.347 20 0 DEADHO C[C@H]1C[C@H]2C[N@@H+](C3CCC(N4CCOCC4)CC3)CC[C@H]2O1 ZINC001256692398 1143862814 /nfs/dbraw/zinc/86/28/14/1143862814.db2.gz VIKGDRQUSPGBEX-NRNWYNIKSA-N 1 3 308.466 2.129 20 0 DEADHO C[C@H]1C[C@H]2C[N@H+](C3CCC(N4CCOCC4)CC3)CC[C@H]2O1 ZINC001256692398 1143862815 /nfs/dbraw/zinc/86/28/15/1143862815.db2.gz VIKGDRQUSPGBEX-NRNWYNIKSA-N 1 3 308.466 2.129 20 0 DEADHO C[N@H+](CCc1cccnc1)C1CCC(N2CCOCC2)CC1 ZINC001256698916 1143863680 /nfs/dbraw/zinc/86/36/80/1143863680.db2.gz SQNQOLXQHKFVAC-UHFFFAOYSA-N 1 3 303.450 2.199 20 0 DEADHO C[N@@H+](CCc1cccnc1)C1CCC(N2CCOCC2)CC1 ZINC001256698916 1143863682 /nfs/dbraw/zinc/86/36/82/1143863682.db2.gz SQNQOLXQHKFVAC-UHFFFAOYSA-N 1 3 303.450 2.199 20 0 DEADHO c1c(CNC2CCN(c3cc[nH+]cc3)CC2)nn2ccccc12 ZINC001256854296 1143870971 /nfs/dbraw/zinc/87/09/71/1143870971.db2.gz PDVSTEQSBAQVEZ-UHFFFAOYSA-N 1 3 307.401 2.488 20 0 DEADHO C1CCC([N@@H+]2CCC[C@@H](N3CCN(C4CCOCC4)CC3)C2)C1 ZINC001256918673 1143874943 /nfs/dbraw/zinc/87/49/43/1143874943.db2.gz RFSZLPUUMJXDPO-LJQANCHMSA-N 1 3 321.509 2.190 20 0 DEADHO C1CCC([N@H+]2CCC[C@@H](N3CCN(C4CCOCC4)CC3)C2)C1 ZINC001256918673 1143874944 /nfs/dbraw/zinc/87/49/44/1143874944.db2.gz RFSZLPUUMJXDPO-LJQANCHMSA-N 1 3 321.509 2.190 20 0 DEADHO CC(C)[NH+]1CCC(N2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)CC1 ZINC001257224162 1143894624 /nfs/dbraw/zinc/89/46/24/1143894624.db2.gz QLJQLMHRZMFVRC-GDBMZVCRSA-N 1 3 323.481 2.410 20 0 DEADHO CN(C)CCC[NH+](CCCN(C)C)C1CCC2(COC2)CC1 ZINC001257908434 1143959946 /nfs/dbraw/zinc/95/99/46/1143959946.db2.gz ICDRESAKELDVHY-UHFFFAOYSA-N 1 3 311.514 2.151 20 0 DEADHO CC(C)C[NH+]1CCC(NC(C)(C)CC(=O)N2CCCC2)CC1 ZINC001258005013 1143963786 /nfs/dbraw/zinc/96/37/86/1143963786.db2.gz NEZNDWYAWKCFNJ-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CN1CCC([N@@H+]2CCC[C@]3(CCCC(=O)N3)C2)CC1 ZINC001258015537 1143965870 /nfs/dbraw/zinc/96/58/70/1143965870.db2.gz VKMBPXLBRRUBJP-GOSISDBHSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)CN1CCC([N@H+]2CCC[C@]3(CCCC(=O)N3)C2)CC1 ZINC001258015537 1143965875 /nfs/dbraw/zinc/96/58/75/1143965875.db2.gz VKMBPXLBRRUBJP-GOSISDBHSA-N 1 3 307.482 2.242 20 0 DEADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+]([C@@H]3CCC(C)(C)C3)CC[C@@H]21 ZINC001258605765 1144025101 /nfs/dbraw/zinc/02/51/01/1144025101.db2.gz MBOXCLYJYQRTHP-NCOADZHNSA-N 1 3 317.481 2.251 20 0 DEADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@H+]([C@@H]3CCC(C)(C)C3)CC[C@@H]21 ZINC001258605765 1144025105 /nfs/dbraw/zinc/02/51/05/1144025105.db2.gz MBOXCLYJYQRTHP-NCOADZHNSA-N 1 3 317.481 2.251 20 0 DEADHO C[C@@H](Cc1cccnc1)N[C@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001258617564 1144026088 /nfs/dbraw/zinc/02/60/88/1144026088.db2.gz SMCQLGOGPYNSBB-ZFWWWQNUSA-N 1 3 322.453 2.192 20 0 DEADHO CN(C)C1CC[NH+](C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC001258642259 1144029970 /nfs/dbraw/zinc/02/99/70/1144029970.db2.gz XCQMAFKKAIBTOL-UHFFFAOYSA-N 1 3 315.461 2.317 20 0 DEADHO CCC[NH+]1CCC(N[C@@H]2CCN(C(=O)C(CC)CC)C2)CC1 ZINC001258770151 1144039428 /nfs/dbraw/zinc/03/94/28/1144039428.db2.gz TYGQSSFUPPWELP-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[NH+]1CCC(N2CC[C@@]3(C2)c2ccccc2NC3=O)CC1 ZINC001258773368 1144039961 /nfs/dbraw/zinc/03/99/61/1144039961.db2.gz HCGXXYBYRRPOIM-LJQANCHMSA-N 1 3 313.445 2.457 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCC1CC1 ZINC001264010312 1144441785 /nfs/dbraw/zinc/44/17/85/1144441785.db2.gz ULWJYDKGIDSAJZ-WBVHZDCISA-N 1 3 309.498 2.343 20 0 DEADHO CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001264372282 1144516918 /nfs/dbraw/zinc/51/69/18/1144516918.db2.gz BBXYADUXDWLOLH-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001264372282 1144516924 /nfs/dbraw/zinc/51/69/24/1144516924.db2.gz BBXYADUXDWLOLH-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@@H](F)CN(C)CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001265054987 1144633844 /nfs/dbraw/zinc/63/38/44/1144633844.db2.gz WBUOHTBEZUJQPS-MRXNPFEDSA-N 1 3 315.477 2.293 20 0 DEADHO CCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](CC)N(C)C ZINC001281912610 1144919300 /nfs/dbraw/zinc/91/93/00/1144919300.db2.gz PKLUUSDOXDMLNE-FGTMMUONSA-N 1 3 317.477 2.499 20 0 DEADHO CC[NH2+]CCCN(Cc1ccccc1)C(=O)C1(N(C)C)CCC1 ZINC001283350421 1145373222 /nfs/dbraw/zinc/37/32/22/1145373222.db2.gz HECFFWLFGVWYSR-UHFFFAOYSA-N 1 3 317.477 2.499 20 0 DEADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(C(=O)NC4CC4)cc3)[C@@H]2C1 ZINC001364674481 1145446447 /nfs/dbraw/zinc/44/64/47/1145446447.db2.gz XUVAJZAVVHCNLG-CGTJXYLNSA-N 1 3 313.445 2.009 20 0 DEADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(C(=O)NC4CC4)cc3)[C@H]2C1 ZINC001364674498 1145446743 /nfs/dbraw/zinc/44/67/43/1145446743.db2.gz XUVAJZAVVHCNLG-SZMVWBNQSA-N 1 3 313.445 2.009 20 0 DEADHO Cc1cc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)ccc1-n1cncn1 ZINC001364929025 1145685172 /nfs/dbraw/zinc/68/51/72/1145685172.db2.gz DDVBBVHRKLPYAF-YESZJQIVSA-N 1 3 311.433 2.006 20 0 DEADHO CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC001365184637 1145817353 /nfs/dbraw/zinc/81/73/53/1145817353.db2.gz NFZHYMACMSGNOJ-INIZCTEOSA-N 1 3 314.433 2.457 20 0 DEADHO CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC001365184637 1145817354 /nfs/dbraw/zinc/81/73/54/1145817354.db2.gz NFZHYMACMSGNOJ-INIZCTEOSA-N 1 3 314.433 2.457 20 0 DEADHO CCN(C)C[C@@H](O)C[N@@H+]1CCC[C@@H](c2cncn2C(C)(C)C)C1 ZINC001365349633 1145854768 /nfs/dbraw/zinc/85/47/68/1145854768.db2.gz BPVDCXGKZJQVTI-HZPDHXFCSA-N 1 3 322.497 2.130 20 0 DEADHO CCN(C)C[C@@H](O)C[N@H+]1CCC[C@@H](c2cncn2C(C)(C)C)C1 ZINC001365349633 1145854769 /nfs/dbraw/zinc/85/47/69/1145854769.db2.gz BPVDCXGKZJQVTI-HZPDHXFCSA-N 1 3 322.497 2.130 20 0 DEADHO CC[C@H](C)C[NH2+]C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001480665444 1146023557 /nfs/dbraw/zinc/02/35/57/1146023557.db2.gz LPLKRPBYRCNHQW-JKSUJKDBSA-N 1 3 311.514 2.449 20 0 DEADHO C[C@@H](NCCF)[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001365923501 1146911168 /nfs/dbraw/zinc/91/11/68/1146911168.db2.gz GHCUKXZGONIXAY-GDBMZVCRSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001366161491 1147084352 /nfs/dbraw/zinc/08/43/52/1147084352.db2.gz IFCYDAVUAIRXIP-VEBHZGNUSA-N 1 3 313.873 2.239 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCc3ccccc32)C1)N(C)C ZINC001366165153 1147086732 /nfs/dbraw/zinc/08/67/32/1147086732.db2.gz ZSRJICSEKNRGAJ-CIRFHOKZSA-N 1 3 315.461 2.251 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC[C@H]1CCC[N@@H+]1CC1CC1)N(C)C ZINC001492159219 1147104836 /nfs/dbraw/zinc/10/48/36/1147104836.db2.gz VXGNVDDPONTNTI-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC[C@H]1CCC[N@H+]1CC1CC1)N(C)C ZINC001492159219 1147104841 /nfs/dbraw/zinc/10/48/41/1147104841.db2.gz VXGNVDDPONTNTI-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1C ZINC001366287674 1147193185 /nfs/dbraw/zinc/19/31/85/1147193185.db2.gz RGGURGDCOIEOCI-WMZOPIPTSA-N 1 3 317.477 2.464 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001366347352 1147226539 /nfs/dbraw/zinc/22/65/39/1147226539.db2.gz PMHGVZOQIJJTAU-KGLIPLIRSA-N 1 3 309.429 2.323 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1cc2ccccc2o1)N(C)C ZINC001366351096 1147229140 /nfs/dbraw/zinc/22/91/40/1147229140.db2.gz HFHHRLZNKBQTSV-CJNGLKHVSA-N 1 3 317.433 2.367 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001366370808 1147239206 /nfs/dbraw/zinc/23/92/06/1147239206.db2.gz YBYSSSKNXMIRON-HNNXBMFYSA-N 1 3 317.477 2.499 20 0 DEADHO C[N@H+](CCNC(=O)C(C)(C)N1CCCCC1)CC1CCCC1 ZINC001366530392 1147334117 /nfs/dbraw/zinc/33/41/17/1147334117.db2.gz RDTXRGZKXDMGCY-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO C[N@@H+](CCNC(=O)C(C)(C)N1CCCCC1)CC1CCCC1 ZINC001366530392 1147334119 /nfs/dbraw/zinc/33/41/19/1147334119.db2.gz RDTXRGZKXDMGCY-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CN(C)C1(C(=O)NCC[N@H+](C)CC2CCCCCC2)CCC1 ZINC001366535994 1147337459 /nfs/dbraw/zinc/33/74/59/1147337459.db2.gz IUOBMPQHJAONDI-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CN(C)C1(C(=O)NCC[N@@H+](C)CC2CCCCCC2)CCC1 ZINC001366535994 1147337463 /nfs/dbraw/zinc/33/74/63/1147337463.db2.gz IUOBMPQHJAONDI-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001366572611 1147363574 /nfs/dbraw/zinc/36/35/74/1147363574.db2.gz YULTYDMGJKGMPG-UHFFFAOYSA-N 1 3 317.477 2.275 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](C)[C@@H]1CCCc2ccccc21)N(C)C ZINC001366582541 1147372353 /nfs/dbraw/zinc/37/23/53/1147372353.db2.gz GLXLHLGIJVCBLH-QZTJIDSGSA-N 1 3 317.477 2.452 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](C)[C@@H]1CCCc2ccccc21)N(C)C ZINC001366582541 1147372356 /nfs/dbraw/zinc/37/23/56/1147372356.db2.gz GLXLHLGIJVCBLH-QZTJIDSGSA-N 1 3 317.477 2.452 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)C[C@H]2CC[N@H+](C)C2)c(C)c1 ZINC001366587152 1147376120 /nfs/dbraw/zinc/37/61/20/1147376120.db2.gz VHBVBZDKCJOLSE-QGZVFWFLSA-N 1 3 317.477 2.193 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)C[C@H]2CC[N@@H+](C)C2)c(C)c1 ZINC001366587152 1147376124 /nfs/dbraw/zinc/37/61/24/1147376124.db2.gz VHBVBZDKCJOLSE-QGZVFWFLSA-N 1 3 317.477 2.193 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001366716185 1147509318 /nfs/dbraw/zinc/50/93/18/1147509318.db2.gz SWBQLJHUFWIQRN-MRXNPFEDSA-N 1 3 318.465 2.279 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001366716185 1147509327 /nfs/dbraw/zinc/50/93/27/1147509327.db2.gz SWBQLJHUFWIQRN-MRXNPFEDSA-N 1 3 318.465 2.279 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](CC1CC(C)(C)C1)C1CC1)N(C)C ZINC001366750106 1147536957 /nfs/dbraw/zinc/53/69/57/1147536957.db2.gz AXJVMLWOUYWDMW-INIZCTEOSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](CC1CC(C)(C)C1)C1CC1)N(C)C ZINC001366750106 1147536962 /nfs/dbraw/zinc/53/69/62/1147536962.db2.gz AXJVMLWOUYWDMW-INIZCTEOSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1CCC=CCC1 ZINC001312993859 1147556748 /nfs/dbraw/zinc/55/67/48/1147556748.db2.gz FAEUIZKBPXVQAJ-INIZCTEOSA-N 1 3 324.513 2.304 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1CCC=CCC1 ZINC001312993859 1147556757 /nfs/dbraw/zinc/55/67/57/1147556757.db2.gz FAEUIZKBPXVQAJ-INIZCTEOSA-N 1 3 324.513 2.304 20 0 DEADHO CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)NCc1ccccc1F ZINC001367135764 1147655064 /nfs/dbraw/zinc/65/50/64/1147655064.db2.gz UBBYJKRULRCALB-DOTOQJQBSA-N 1 3 323.456 2.396 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCC2)C1)N(C)C ZINC001317091301 1147658741 /nfs/dbraw/zinc/65/87/41/1147658741.db2.gz PKWINFCYCOCLLJ-BRWVUGGUSA-N 1 3 309.498 2.390 20 0 DEADHO CC(C)=CC[N@H+]1CCC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001317132926 1147664055 /nfs/dbraw/zinc/66/40/55/1147664055.db2.gz UXLDVEGGBMSLAO-INIZCTEOSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)=CC[N@@H+]1CCC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001317132926 1147664057 /nfs/dbraw/zinc/66/40/57/1147664057.db2.gz UXLDVEGGBMSLAO-INIZCTEOSA-N 1 3 307.482 2.265 20 0 DEADHO C[C@@H](F)CC[NH2+]C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001317149089 1147666701 /nfs/dbraw/zinc/66/67/01/1147666701.db2.gz HBNXGNYDWOGVKR-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccsc1 ZINC001367242413 1147668430 /nfs/dbraw/zinc/66/84/30/1147668430.db2.gz JISXMVJSJDWQGK-GOEBONIOSA-N 1 3 323.506 2.463 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+]C/C=C\Cl ZINC001317197131 1147674657 /nfs/dbraw/zinc/67/46/57/1147674657.db2.gz NTIBURNWVZLGRY-QPBFKRLHSA-N 1 3 301.862 2.051 20 0 DEADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(C)c1 ZINC001367396796 1147688825 /nfs/dbraw/zinc/68/88/25/1147688825.db2.gz HHOOXXZJNOMWKC-MRXNPFEDSA-N 1 3 305.466 2.273 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)CN(C)C(C)C ZINC001367417052 1147691407 /nfs/dbraw/zinc/69/14/07/1147691407.db2.gz SPEBGLCEAFOKRI-INIZCTEOSA-N 1 3 305.466 2.272 20 0 DEADHO CC(C)[C@H](C(=O)N(C)CC[N@H+](C)CC1CC(C)(C)C1)N(C)C ZINC001367532140 1147710437 /nfs/dbraw/zinc/71/04/37/1147710437.db2.gz DPUFEACZDCCQCY-MRXNPFEDSA-N 1 3 311.514 2.399 20 0 DEADHO CC(C)[C@H](C(=O)N(C)CC[N@@H+](C)CC1CC(C)(C)C1)N(C)C ZINC001367532140 1147710438 /nfs/dbraw/zinc/71/04/38/1147710438.db2.gz DPUFEACZDCCQCY-MRXNPFEDSA-N 1 3 311.514 2.399 20 0 DEADHO CN(CC[N@H+](C)CCc1cccs1)C(=O)[C@@H]1CCCCN1C ZINC001367532843 1147710616 /nfs/dbraw/zinc/71/06/16/1147710616.db2.gz DTOXIFZIWASXFS-INIZCTEOSA-N 1 3 323.506 2.165 20 0 DEADHO CN(CC[N@@H+](C)CCc1cccs1)C(=O)[C@@H]1CCCCN1C ZINC001367532843 1147710618 /nfs/dbraw/zinc/71/06/18/1147710618.db2.gz DTOXIFZIWASXFS-INIZCTEOSA-N 1 3 323.506 2.165 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[N@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001367545650 1147713848 /nfs/dbraw/zinc/71/38/48/1147713848.db2.gz GVHBQXHGHLUTHA-IXDOHACOSA-N 1 3 309.498 2.155 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[N@@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001367545650 1147713850 /nfs/dbraw/zinc/71/38/50/1147713850.db2.gz GVHBQXHGHLUTHA-IXDOHACOSA-N 1 3 309.498 2.155 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1c(C)cccc1C)N(C)C ZINC001367708743 1147730785 /nfs/dbraw/zinc/73/07/85/1147730785.db2.gz ZUINWAJBODSSEG-NVXWUHKLSA-N 1 3 305.466 2.238 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[N@@H+](C)C[C@H](C)CC(C)C ZINC001367855279 1147761635 /nfs/dbraw/zinc/76/16/35/1147761635.db2.gz VSNHITUJIHBAFK-ZIAGYGMSSA-N 1 3 308.470 2.379 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[N@H+](C)C[C@H](C)CC(C)C ZINC001367855279 1147761637 /nfs/dbraw/zinc/76/16/37/1147761637.db2.gz VSNHITUJIHBAFK-ZIAGYGMSSA-N 1 3 308.470 2.379 20 0 DEADHO CC(C)[C@H](C(=O)NCC1(NCc2ccsc2)CC1)[NH+](C)C ZINC001368025441 1147834280 /nfs/dbraw/zinc/83/42/80/1147834280.db2.gz XPANNSYZZAJAAM-CQSZACIVSA-N 1 3 309.479 2.073 20 0 DEADHO C[C@@H]([NH3+])C[C@H](C)NCCNC(=O)c1ccccc1C(F)(F)F ZINC001325745668 1147994391 /nfs/dbraw/zinc/99/43/91/1147994391.db2.gz ZSICNYALOIYNOJ-MNOVXSKESA-N 1 3 317.355 2.151 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H](CC[NH2+]C/C=C/Cl)C2)CCC1 ZINC001326288949 1148070288 /nfs/dbraw/zinc/07/02/88/1148070288.db2.gz PNXJKQCYYAUERT-MDDUGHTDSA-N 1 3 313.873 2.051 20 0 DEADHO CC[C@H](F)C[NH2+]CC[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001326289614 1148070378 /nfs/dbraw/zinc/07/03/78/1148070378.db2.gz SAOOSBIJBZMWIX-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC001368158587 1148289920 /nfs/dbraw/zinc/28/99/20/1148289920.db2.gz FJNNLSSTSIQJNR-SFHVURJKSA-N 1 3 303.450 2.109 20 0 DEADHO COc1cc(CNCC2(O)CC[NH+](C(C)C)CC2)ccc1C ZINC000278631955 214290477 /nfs/dbraw/zinc/29/04/77/214290477.db2.gz HBIPKBKAPNPRKR-UHFFFAOYSA-N 1 3 306.450 2.329 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N[C@@]1(C)CC[NH2+]C1)c1ccsc1 ZINC000612867497 361935885 /nfs/dbraw/zinc/93/58/85/361935885.db2.gz AUXMJKWWRQCXDA-ZBFHGGJFSA-N 1 3 324.494 2.182 20 0 DEADHO CCNC(=O)[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000278233390 214038811 /nfs/dbraw/zinc/03/88/11/214038811.db2.gz KLNCWIJMSQVDAL-DDBAPUKQSA-N 1 3 315.461 2.296 20 0 DEADHO CN1CCC2(CCCN2C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000367433115 282191748 /nfs/dbraw/zinc/19/17/48/282191748.db2.gz SZYLFYJQLBBKKN-JKSUJKDBSA-N 1 3 322.497 2.129 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000418644830 529612987 /nfs/dbraw/zinc/61/29/87/529612987.db2.gz CPMNGJSZZSHSTE-KBRIMQKVSA-N 1 3 318.465 2.160 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000417832207 529616019 /nfs/dbraw/zinc/61/60/19/529616019.db2.gz KXWQOJGDQJISEQ-DDBAPUKQSA-N 1 3 315.461 2.286 20 0 DEADHO CCNC(=O)CC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821562 185344078 /nfs/dbraw/zinc/34/40/78/185344078.db2.gz MPJUOAARHUHLQU-UHFFFAOYSA-N 1 3 318.465 2.146 20 0 DEADHO CCNC(=O)CC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821562 185344079 /nfs/dbraw/zinc/34/40/79/185344079.db2.gz MPJUOAARHUHLQU-UHFFFAOYSA-N 1 3 318.465 2.146 20 0 DEADHO C[C@@H](C(=O)N(C)C1CCCCC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420317940 295703086 /nfs/dbraw/zinc/70/30/86/295703086.db2.gz PGOBNGPGFBFWTG-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO CCN(CCC[NH+](C)C)C(=O)NCC(C)(C)N1CCCCC1 ZINC000188472548 282302017 /nfs/dbraw/zinc/30/20/17/282302017.db2.gz GKSCGFMITJNSPI-UHFFFAOYSA-N 1 3 312.502 2.234 20 0 DEADHO CN(C)CCN(C)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000078576268 539367836 /nfs/dbraw/zinc/36/78/36/539367836.db2.gz VUOHDLDUBSFWDW-UHFFFAOYSA-N 1 3 322.453 2.042 20 0 DEADHO C[C@@H](C(=O)N1CCC(CC[NH+](C)C)CC1)N1CCCCCC1 ZINC000346131563 295716635 /nfs/dbraw/zinc/71/66/35/295716635.db2.gz OSJDPQXABRNZLA-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO C[NH2+]C[C@@H](C)CNC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000417622323 529982642 /nfs/dbraw/zinc/98/26/42/529982642.db2.gz IFZDZAZJGOGWOK-HUUCEWRRSA-N 1 3 320.481 2.271 20 0 DEADHO CNCc1cccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000415920096 530007987 /nfs/dbraw/zinc/00/79/87/530007987.db2.gz OOEURWPOXMHVNQ-UHFFFAOYSA-N 1 3 316.449 2.498 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NCCC[NH+]1CCCCC1 ZINC000448105357 530051629 /nfs/dbraw/zinc/05/16/29/530051629.db2.gz RFHLBEWLJWMEJE-INIZCTEOSA-N 1 3 324.513 2.282 20 0 DEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NCCC[NH+]1CCCCC1 ZINC000448105358 530051925 /nfs/dbraw/zinc/05/19/25/530051925.db2.gz RFHLBEWLJWMEJE-MRXNPFEDSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)C1CCN(C)CC1 ZINC000090465413 539416047 /nfs/dbraw/zinc/41/60/47/539416047.db2.gz LFYWOTGVSVQBCW-YOEHRIQHSA-N 1 3 307.482 2.240 20 0 DEADHO CN(C)CCOc1ccc(CN2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000092756254 539428440 /nfs/dbraw/zinc/42/84/40/539428440.db2.gz RJQOCZZLTPPBCP-GOSISDBHSA-N 1 3 317.477 2.297 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)CC1 ZINC000245454842 282389980 /nfs/dbraw/zinc/38/99/80/282389980.db2.gz HOCARRLTOQLRIE-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)N1CCCCCC1 ZINC000339469007 295745382 /nfs/dbraw/zinc/74/53/82/295745382.db2.gz NFZVQHWSMCIQIO-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1C[C@H](NC(=O)CC2([NH3+])CCC2)CCN1Cc1ccccc1 ZINC000237562544 539747218 /nfs/dbraw/zinc/74/72/18/539747218.db2.gz AJXQLZXJKQDDGI-DOTOQJQBSA-N 1 3 315.461 2.427 20 0 DEADHO C[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(-n2cncn2)cc1 ZINC000152476922 186077234 /nfs/dbraw/zinc/07/72/34/186077234.db2.gz HONZXFJQWBDGCM-CABCVRRESA-N 1 3 311.433 2.402 20 0 DEADHO C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(-n2cncn2)cc1 ZINC000152476922 186077236 /nfs/dbraw/zinc/07/72/36/186077236.db2.gz HONZXFJQWBDGCM-CABCVRRESA-N 1 3 311.433 2.402 20 0 DEADHO C[C@H]1CN(CC2CC[NH+](CCc3cccnc3)CC2)C[C@H](C)O1 ZINC000172076394 198035544 /nfs/dbraw/zinc/03/55/44/198035544.db2.gz AVPVDMFWGZMLLS-IRXDYDNUSA-N 1 3 317.477 2.445 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N1CC[C@H](N2CCCC2)C1)C(C)C ZINC000072517570 191186505 /nfs/dbraw/zinc/18/65/05/191186505.db2.gz MZXSJVNCNUPULU-KRWDZBQOSA-N 1 3 324.513 2.375 20 0 DEADHO CC(C)COC[C@@H](O)CNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309731094 539878117 /nfs/dbraw/zinc/87/81/17/539878117.db2.gz PBEZWTDYQOMWIW-MOPGFXCFSA-N 1 3 320.477 2.132 20 0 DEADHO CC(C)COC[C@@H](O)CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309731094 539878118 /nfs/dbraw/zinc/87/81/18/539878118.db2.gz PBEZWTDYQOMWIW-MOPGFXCFSA-N 1 3 320.477 2.132 20 0 DEADHO CCN(CCC[NH+](CC)CC)C(=O)[C@H]1CNCc2ccccc21 ZINC000322968894 539904504 /nfs/dbraw/zinc/90/45/04/539904504.db2.gz WKCXGRAOFOOSHP-SFHVURJKSA-N 1 3 317.477 2.454 20 0 DEADHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000072858812 191241217 /nfs/dbraw/zinc/24/12/17/191241217.db2.gz PORRDVDNFHOTNW-CQSZACIVSA-N 1 3 307.413 2.428 20 0 DEADHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000072858812 191241220 /nfs/dbraw/zinc/24/12/20/191241220.db2.gz PORRDVDNFHOTNW-CQSZACIVSA-N 1 3 307.413 2.428 20 0 DEADHO O=S(=O)(CCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000339067319 539986347 /nfs/dbraw/zinc/98/63/47/539986347.db2.gz GDTYZBCXCPVYIY-HOTGVXAUSA-N 1 3 322.474 2.067 20 0 DEADHO O=S(=O)(CCCN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000339067319 539986351 /nfs/dbraw/zinc/98/63/51/539986351.db2.gz GDTYZBCXCPVYIY-HOTGVXAUSA-N 1 3 322.474 2.067 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)C(C)(C)[C@@H](N)c2ccccc2)CC[N@@H+]1C ZINC000423396829 297269324 /nfs/dbraw/zinc/26/93/24/297269324.db2.gz BJBOLRDGBNUZAP-KBMXLJTQSA-N 1 3 303.450 2.312 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)C(C)(C)[C@@H](N)c2ccccc2)CC[N@H+]1C ZINC000423396829 297269327 /nfs/dbraw/zinc/26/93/27/297269327.db2.gz BJBOLRDGBNUZAP-KBMXLJTQSA-N 1 3 303.450 2.312 20 0 DEADHO C[C@H]1CCCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000028659681 354102081 /nfs/dbraw/zinc/10/20/81/354102081.db2.gz ZKSDYRPMHXCYBH-DOTOQJQBSA-N 1 3 303.450 2.137 20 0 DEADHO CCN1CCC(NC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000043292313 354217846 /nfs/dbraw/zinc/21/78/46/354217846.db2.gz UBFWDNWMZUZJLN-KRWDZBQOSA-N 1 3 324.513 2.280 20 0 DEADHO CC[NH+]1CCC(NC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000063680324 354652051 /nfs/dbraw/zinc/65/20/51/354652051.db2.gz LTONEIINBMQBSG-UHFFFAOYSA-N 1 3 315.461 2.497 20 0 DEADHO C[N@H+](CCNC(=O)c1cccc(CN2CCCC2)c1)C1CC1 ZINC000066053531 354698808 /nfs/dbraw/zinc/69/88/08/354698808.db2.gz UMTZEPOGMMAYEV-UHFFFAOYSA-N 1 3 301.434 2.106 20 0 DEADHO C[N@@H+](CCNC(=O)c1cccc(CN2CCCC2)c1)C1CC1 ZINC000066053531 354698812 /nfs/dbraw/zinc/69/88/12/354698812.db2.gz UMTZEPOGMMAYEV-UHFFFAOYSA-N 1 3 301.434 2.106 20 0 DEADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000069591838 354871019 /nfs/dbraw/zinc/87/10/19/354871019.db2.gz AQYUDMWLOXDMCR-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO CCC[N@H+]1CC[C@@H](CNC(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000069591838 354871022 /nfs/dbraw/zinc/87/10/22/354871022.db2.gz AQYUDMWLOXDMCR-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C2CCN(C)CC2)C1 ZINC000072963264 354932714 /nfs/dbraw/zinc/93/27/14/354932714.db2.gz WHOABZIFBJBTLB-IYBDPMFKSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C2CCN(C)CC2)C1 ZINC000072963264 354932719 /nfs/dbraw/zinc/93/27/19/354932719.db2.gz WHOABZIFBJBTLB-IYBDPMFKSA-N 1 3 309.498 2.203 20 0 DEADHO CC[NH+](CC)Cc1ccc(CNC(=O)C2CCN(C)CC2)cc1 ZINC000073404353 191314098 /nfs/dbraw/zinc/31/40/98/191314098.db2.gz LBGHCUNTKWZUDT-UHFFFAOYSA-N 1 3 317.477 2.486 20 0 DEADHO C[C@@H]1CCN(C)CCN1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000355477068 283063543 /nfs/dbraw/zinc/06/35/43/283063543.db2.gz SMWVLBQZGDFOSK-NVXWUHKLSA-N 1 3 324.513 2.233 20 0 DEADHO COc1cccc(CNCC2(O)CC[NH+](C)CC2)c1OC(C)C ZINC000077450363 355205328 /nfs/dbraw/zinc/20/53/28/355205328.db2.gz GYRSAUNRBQUPGH-UHFFFAOYSA-N 1 3 322.449 2.029 20 0 DEADHO C[NH+]1CCC(O)(CNCc2ccccc2OC(F)(F)F)CC1 ZINC000077450615 355205912 /nfs/dbraw/zinc/20/59/12/355205912.db2.gz YZDPTKJAVNIWIU-UHFFFAOYSA-N 1 3 318.339 2.132 20 0 DEADHO CN(C)CCOc1cccc(NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000414873842 540156980 /nfs/dbraw/zinc/15/69/80/540156980.db2.gz ABWASRKZLRTQOA-KBPBESRZSA-N 1 3 320.437 2.018 20 0 DEADHO CSc1ccccc1OC[C@H](O)CN(CCC[NH3+])C(C)C ZINC000415128653 540158787 /nfs/dbraw/zinc/15/87/87/540158787.db2.gz TWKGYWSYHDEPRS-CQSZACIVSA-N 1 3 312.479 2.207 20 0 DEADHO CN(CCCNC(=O)N[C@H]1CCC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000416880476 540164302 /nfs/dbraw/zinc/16/43/02/540164302.db2.gz YECDYGXNTUBGSZ-IRXDYDNUSA-N 1 3 318.465 2.078 20 0 DEADHO NC(=O)[C@H]1CCC[N@H+](CCCN[C@@H](c2ccccc2)C2CC2)C1 ZINC000091333574 355592881 /nfs/dbraw/zinc/59/28/81/355592881.db2.gz RKAGLASPOSDSNP-ROUUACIJSA-N 1 3 315.461 2.315 20 0 DEADHO NC(=O)[C@H]1CCC[N@@H+](CCCN[C@@H](c2ccccc2)C2CC2)C1 ZINC000091333574 355592887 /nfs/dbraw/zinc/59/28/87/355592887.db2.gz RKAGLASPOSDSNP-ROUUACIJSA-N 1 3 315.461 2.315 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2N(C)C2CCN(C)CC2)CC[NH2+]1 ZINC000092457066 355634244 /nfs/dbraw/zinc/63/42/44/355634244.db2.gz NQPRMPVTYFNMFN-MRXNPFEDSA-N 1 3 316.493 2.011 20 0 DEADHO Cc1ccc(CCC(=O)N(CCN(C)C)CC[NH+](C)C)c(C)c1 ZINC000103210921 355714903 /nfs/dbraw/zinc/71/49/03/355714903.db2.gz QMNHDOQTQBQFJA-UHFFFAOYSA-N 1 3 319.493 2.188 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000108543287 355736425 /nfs/dbraw/zinc/73/64/25/355736425.db2.gz DKPVZBAOISLWKY-NVXWUHKLSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000108543287 355736429 /nfs/dbraw/zinc/73/64/29/355736429.db2.gz DKPVZBAOISLWKY-NVXWUHKLSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H]1CCC[C@](CNC(=O)NC[C@@H]2CCCN(C)C2)([NH+](C)C)C1 ZINC000108561933 355737687 /nfs/dbraw/zinc/73/76/87/355737687.db2.gz LPJARNRFWJQXPY-RYRKJORJSA-N 1 3 324.513 2.138 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000108569657 355737832 /nfs/dbraw/zinc/73/78/32/355737832.db2.gz YMMWFRAGFIKLCX-QGZVFWFLSA-N 1 3 322.497 2.034 20 0 DEADHO CN1CCCC[C@H]1CC[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000370488872 283124757 /nfs/dbraw/zinc/12/47/57/283124757.db2.gz VAMNESSWYJMMKZ-IRXDYDNUSA-N 1 3 307.482 2.338 20 0 DEADHO CN1CCCC[C@H]1CC[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000370488872 283124760 /nfs/dbraw/zinc/12/47/60/283124760.db2.gz VAMNESSWYJMMKZ-IRXDYDNUSA-N 1 3 307.482 2.338 20 0 DEADHO CC[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000130308243 355841099 /nfs/dbraw/zinc/84/10/99/355841099.db2.gz YYUYHVJBTNCWFI-RHSMWYFYSA-N 1 3 303.450 2.272 20 0 DEADHO CC[C@@H](N)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000130308243 355841102 /nfs/dbraw/zinc/84/11/02/355841102.db2.gz YYUYHVJBTNCWFI-RHSMWYFYSA-N 1 3 303.450 2.272 20 0 DEADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]Cc2scnc2C2CC2)CC1 ZINC000487268713 540212078 /nfs/dbraw/zinc/21/20/78/540212078.db2.gz MCVOYSOQRVSZDL-GJZGRUSLSA-N 1 3 321.490 2.488 20 0 DEADHO CC(C)[NH2+]CCC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000168999434 355979026 /nfs/dbraw/zinc/97/90/26/355979026.db2.gz SRKMIMIMENWTFV-QGZVFWFLSA-N 1 3 303.450 2.155 20 0 DEADHO COC(=O)COc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCN(C)C1 ZINC000183567412 356176547 /nfs/dbraw/zinc/17/65/47/356176547.db2.gz BQZHNQZNOQDWKQ-HUUCEWRRSA-N 1 3 320.433 2.231 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000517019234 540226913 /nfs/dbraw/zinc/22/69/13/540226913.db2.gz HXDVKKKJVKYIDW-JZXOWHBKSA-N 1 3 322.497 2.034 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H](C)[NH3+] ZINC000399389071 283152596 /nfs/dbraw/zinc/15/25/96/283152596.db2.gz ROHNRXXLYUSFRT-NXHRZFHOSA-N 1 3 317.477 2.387 20 0 DEADHO C[C@@H](CC[NH+](C)C)N[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401921761 283162091 /nfs/dbraw/zinc/16/20/91/283162091.db2.gz JHSRXOAJFYHZGQ-RDJZCZTQSA-N 1 3 319.449 2.327 20 0 DEADHO C[C@H]1C[C@H](C(=O)N2CCN(C3CCC3)C[C@H](C)C2)CC[N@@H+]1C ZINC000344719270 291103250 /nfs/dbraw/zinc/10/32/50/291103250.db2.gz VJLCHWIYWBJYHS-HRCADAONSA-N 1 3 307.482 2.050 20 0 DEADHO C[C@H]1C[C@H](C(=O)N2CCN(C3CCC3)C[C@H](C)C2)CC[N@H+]1C ZINC000344719270 291103251 /nfs/dbraw/zinc/10/32/51/291103251.db2.gz VJLCHWIYWBJYHS-HRCADAONSA-N 1 3 307.482 2.050 20 0 DEADHO CCC[C@@H](N)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000236935993 202081137 /nfs/dbraw/zinc/08/11/37/202081137.db2.gz IMKLYKNXKMRTTI-WMLDXEAASA-N 1 3 303.450 2.456 20 0 DEADHO Cc1ccc(F)c(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423155588 283195735 /nfs/dbraw/zinc/19/57/35/283195735.db2.gz QUZRGQHKPFKUDG-CGTJXYLNSA-N 1 3 306.425 2.423 20 0 DEADHO CCCN(CC(=O)Nc1ccccc1OC)CC1CC[NH2+]CC1 ZINC000236972007 202101926 /nfs/dbraw/zinc/10/19/26/202101926.db2.gz AIXNIVDEPZRXNX-UHFFFAOYSA-N 1 3 319.449 2.345 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)CC1CC[NH2+]CC1 ZINC000423766850 283197065 /nfs/dbraw/zinc/19/70/65/283197065.db2.gz VOHUGSBSDJDMIM-UHFFFAOYSA-N 1 3 309.498 2.347 20 0 DEADHO C[C@H](CC(=O)N(C)[C@H](C)C1CCN(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000423768371 283198069 /nfs/dbraw/zinc/19/80/69/283198069.db2.gz XDCPOWNCHCFDKR-BFYDXBDKSA-N 1 3 309.498 2.201 20 0 DEADHO CN(CCNC(=O)[C@H]1[NH2+]CCCC1(C)C)Cc1ccccc1 ZINC000386765415 356698425 /nfs/dbraw/zinc/69/84/25/356698425.db2.gz JGZYKJNUQQHDRF-MRXNPFEDSA-N 1 3 303.450 2.013 20 0 DEADHO CN(C)CCOc1ccc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000237197758 202187301 /nfs/dbraw/zinc/18/73/01/202187301.db2.gz JQENERDEBHWGJY-ZIAGYGMSSA-N 1 3 305.422 2.083 20 0 DEADHO CC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1 ZINC000579086416 356917681 /nfs/dbraw/zinc/91/76/81/356917681.db2.gz ZSDNIXCRABENOQ-KRWDZBQOSA-N 1 3 320.481 2.273 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)C3CC3)CC2)CC1 ZINC000579374641 356967099 /nfs/dbraw/zinc/96/70/99/356967099.db2.gz MZPLWVWXBIZQAX-CQSZACIVSA-N 1 3 307.482 2.097 20 0 DEADHO COc1ccccc1-n1nccc1C[NH2+]C[C@H]1CCCN(C)C1 ZINC000579665888 357010160 /nfs/dbraw/zinc/01/01/60/357010160.db2.gz PYUQHIRIVQRQQO-OAHLLOKOSA-N 1 3 314.433 2.312 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000352824696 283237304 /nfs/dbraw/zinc/23/73/04/283237304.db2.gz GRBCTPINAAFNCL-UHFFFAOYSA-N 1 3 324.513 2.378 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000352824696 283237307 /nfs/dbraw/zinc/23/73/07/283237307.db2.gz GRBCTPINAAFNCL-UHFFFAOYSA-N 1 3 324.513 2.378 20 0 DEADHO CC[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)N(C)C ZINC000178220811 198833787 /nfs/dbraw/zinc/83/37/87/198833787.db2.gz JARBDQWQHUPSPO-GOSISDBHSA-N 1 3 317.477 2.355 20 0 DEADHO NCc1cn([C@H]2CCC[N@H+](CCOC3CCCCCC3)C2)nn1 ZINC000581243711 357154994 /nfs/dbraw/zinc/15/49/94/357154994.db2.gz QDFVSYIAXMZJJZ-INIZCTEOSA-N 1 3 321.469 2.113 20 0 DEADHO NCc1cn([C@H]2CCC[N@@H+](CCOC3CCCCCC3)C2)nn1 ZINC000581243711 357154997 /nfs/dbraw/zinc/15/49/97/357154997.db2.gz QDFVSYIAXMZJJZ-INIZCTEOSA-N 1 3 321.469 2.113 20 0 DEADHO N[C@H](CC(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000581656836 357224195 /nfs/dbraw/zinc/22/41/95/357224195.db2.gz XXKOKDAHDWUWCN-BBWFWOEESA-N 1 3 301.434 2.067 20 0 DEADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H](C)[C@@H](C)O)CC2)c1 ZINC000581662037 357225527 /nfs/dbraw/zinc/22/55/27/357225527.db2.gz QTDHOWHPMLOTDY-QZTJIDSGSA-N 1 3 319.493 2.256 20 0 DEADHO C[NH+](C)Cc1cccc(NC(=O)c2conc2C(C)(C)N)c1 ZINC000581894137 357264350 /nfs/dbraw/zinc/26/43/50/357264350.db2.gz KSFFMLXNMRBBFQ-UHFFFAOYSA-N 1 3 302.378 2.182 20 0 DEADHO CC(C)=C[C@@H]1[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)C1(C)C ZINC000590817399 357620093 /nfs/dbraw/zinc/62/00/93/357620093.db2.gz CGEAHGVOSSBNHW-HZPDHXFCSA-N 1 3 309.498 2.177 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@H](C)N(C)C2CC2)CC1 ZINC000591616505 357744393 /nfs/dbraw/zinc/74/43/93/357744393.db2.gz QFWKEYHIDPHPPF-HNNXBMFYSA-N 1 3 324.513 2.231 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@H](C)N(C)C2CC2)CC1 ZINC000591616505 357744395 /nfs/dbraw/zinc/74/43/95/357744395.db2.gz QFWKEYHIDPHPPF-HNNXBMFYSA-N 1 3 324.513 2.231 20 0 DEADHO COC(=O)c1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC000592433736 357876376 /nfs/dbraw/zinc/87/63/76/357876376.db2.gz RCTBDAFFUZBCFL-ZIAGYGMSSA-N 1 3 306.406 2.278 20 0 DEADHO C[C@@H](NC1CC[NH+](C2CCN(C)CC2)CC1)c1ccccn1 ZINC000179468221 199041287 /nfs/dbraw/zinc/04/12/87/199041287.db2.gz UGAQJHOPVDWJAA-OAHLLOKOSA-N 1 3 302.466 2.291 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2[C@@H]3CC[C@H]2CC(C)C3)CC1 ZINC000662131427 540328091 /nfs/dbraw/zinc/32/80/91/540328091.db2.gz OBOZQVQJWBBZLM-ZXFUBFMLSA-N 1 3 307.482 2.238 20 0 DEADHO CC(C)C1(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000458105180 535377145 /nfs/dbraw/zinc/37/71/45/535377145.db2.gz CKRPKLFJELQLBG-UHFFFAOYSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000662686437 540332861 /nfs/dbraw/zinc/33/28/61/540332861.db2.gz NDLFZORBDKAAOW-NUJGCVRESA-N 1 3 317.433 2.194 20 0 DEADHO CCN(C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)[C@H]1CCN(C)C1 ZINC000664498210 540346222 /nfs/dbraw/zinc/34/62/22/540346222.db2.gz AWEVCTIJHXNJCS-IRXDYDNUSA-N 1 3 324.513 2.090 20 0 DEADHO CCN(C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1)[C@H]1CCN(C)C1 ZINC000664498210 540346224 /nfs/dbraw/zinc/34/62/24/540346224.db2.gz AWEVCTIJHXNJCS-IRXDYDNUSA-N 1 3 324.513 2.090 20 0 DEADHO CN(C)CCOc1ccc(CN[C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000666998406 540378081 /nfs/dbraw/zinc/37/80/81/540378081.db2.gz RRXOJIPAROXSKU-QGZVFWFLSA-N 1 3 317.477 2.391 20 0 DEADHO COC(=O)c1ccccc1OCCN1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000593730833 358132426 /nfs/dbraw/zinc/13/24/26/358132426.db2.gz ICKHRCKZAQILRK-GDBMZVCRSA-N 1 3 320.433 2.301 20 0 DEADHO CN(c1ccccc1CN1CC[C@@](C)(O)C1)C1CC[NH+](C)CC1 ZINC000180193469 199128969 /nfs/dbraw/zinc/12/89/69/199128969.db2.gz SJVMEDBTWXLNTK-LJQANCHMSA-N 1 3 317.477 2.174 20 0 DEADHO C[C@@H]1CCC[C@](CNC(=O)[C@@H](CN)c2ccccc2)([NH+](C)C)C1 ZINC000237367497 202245782 /nfs/dbraw/zinc/24/57/82/202245782.db2.gz ZNWDEHHXUCSTSH-AYBZRNKSSA-N 1 3 317.477 2.356 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCCCC1 ZINC000594695186 358320468 /nfs/dbraw/zinc/32/04/68/358320468.db2.gz MUFLTYZODCVOTO-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCCCC1 ZINC000594695186 358320473 /nfs/dbraw/zinc/32/04/73/358320473.db2.gz MUFLTYZODCVOTO-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cccc(CN)c1 ZINC000667733390 540516846 /nfs/dbraw/zinc/51/68/46/540516846.db2.gz BVCNTYSANWSTCX-BBRMVZONSA-N 1 3 302.422 2.236 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CO[C@H](C3CC3)C2)[C@@H](C)C1 ZINC000667862350 540541412 /nfs/dbraw/zinc/54/14/12/540541412.db2.gz SNQIFYDNWDZEJS-DKIMLUQUSA-N 1 3 310.482 2.281 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CO[C@H](C3CC3)C2)[C@@H](C)C1 ZINC000667862350 540541416 /nfs/dbraw/zinc/54/14/16/540541416.db2.gz SNQIFYDNWDZEJS-DKIMLUQUSA-N 1 3 310.482 2.281 20 0 DEADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C3(N)CCC3)cc2)C1 ZINC000449323214 240356854 /nfs/dbraw/zinc/35/68/54/240356854.db2.gz STESBGCQKLFKER-OAHLLOKOSA-N 1 3 315.461 2.416 20 0 DEADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C3(N)CCC3)cc2)C1 ZINC000449323214 240356865 /nfs/dbraw/zinc/35/68/65/240356865.db2.gz STESBGCQKLFKER-OAHLLOKOSA-N 1 3 315.461 2.416 20 0 DEADHO C[C@H](C(=O)NCCC1CC[NH+](C)CC1)[C@H](N)c1ccccc1 ZINC000237567806 202286501 /nfs/dbraw/zinc/28/65/01/202286501.db2.gz MLGQBHSRQSZSDD-YOEHRIQHSA-N 1 3 303.450 2.171 20 0 DEADHO CSC[C@H](O)C[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000188198826 200208106 /nfs/dbraw/zinc/20/81/06/200208106.db2.gz FRZOJDVRRHJSPJ-QGZVFWFLSA-N 1 3 323.506 2.344 20 0 DEADHO CSC[C@H](O)C[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000188198826 200208108 /nfs/dbraw/zinc/20/81/08/200208108.db2.gz FRZOJDVRRHJSPJ-QGZVFWFLSA-N 1 3 323.506 2.344 20 0 DEADHO Cc1ccccc1CN1CCC(NC(=O)C2CC[NH2+]CC2)CC1 ZINC000237727496 202340040 /nfs/dbraw/zinc/34/00/40/202340040.db2.gz IKLCAENYNMUGJE-UHFFFAOYSA-N 1 3 315.461 2.075 20 0 DEADHO C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000668490068 540672801 /nfs/dbraw/zinc/67/28/01/540672801.db2.gz QCRMYGGMAOTNFV-XYPHTWIQSA-N 1 3 306.475 2.094 20 0 DEADHO C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000668490061 540672831 /nfs/dbraw/zinc/67/28/31/540672831.db2.gz QCRMYGGMAOTNFV-COXVUDFISA-N 1 3 306.475 2.094 20 0 DEADHO C[C@@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1ccc(OCCN(C)C)cc1 ZINC000189336797 200383878 /nfs/dbraw/zinc/38/38/78/200383878.db2.gz FTPKPOJRSDCMMB-VYDXJSESSA-N 1 3 306.450 2.439 20 0 DEADHO CSC[C@H](O)C[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000601965869 360211687 /nfs/dbraw/zinc/21/16/87/360211687.db2.gz AWFCKFUSHAQFEZ-USXIJHARSA-N 1 3 308.491 2.068 20 0 DEADHO CSC[C@H](O)CNC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000601965869 360211690 /nfs/dbraw/zinc/21/16/90/360211690.db2.gz AWFCKFUSHAQFEZ-USXIJHARSA-N 1 3 308.491 2.068 20 0 DEADHO CSC[C@H](O)CNC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000601965869 360211694 /nfs/dbraw/zinc/21/16/94/360211694.db2.gz AWFCKFUSHAQFEZ-USXIJHARSA-N 1 3 308.491 2.068 20 0 DEADHO C[C@H]([NH3+])CNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000668644785 540703296 /nfs/dbraw/zinc/70/32/96/540703296.db2.gz XVWKLXAZTHMKID-UONOGXRCSA-N 1 3 324.494 2.168 20 0 DEADHO CC(C)(C(=O)Nc1cnc2c(c1)CNCC2)[C@H]([NH3+])c1ccccc1 ZINC000669513405 540849746 /nfs/dbraw/zinc/84/97/46/540849746.db2.gz KQDSVNMRDHDOPA-QGZVFWFLSA-N 1 3 324.428 2.392 20 0 DEADHO Cn1cc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)c(-c2cccnc2)n1 ZINC000292715453 223214292 /nfs/dbraw/zinc/21/42/92/223214292.db2.gz DPRXJISWJIWKAE-GOSISDBHSA-N 1 3 311.433 2.010 20 0 DEADHO Cn1cc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)c(-c2cccnc2)n1 ZINC000292715453 223214294 /nfs/dbraw/zinc/21/42/94/223214294.db2.gz DPRXJISWJIWKAE-GOSISDBHSA-N 1 3 311.433 2.010 20 0 DEADHO C[C@H]([NH3+])CCC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000193303458 201024171 /nfs/dbraw/zinc/02/41/71/201024171.db2.gz JESFGXOREQXFTQ-DOTOQJQBSA-N 1 3 303.450 2.285 20 0 DEADHO C[C@H]([NH3+])CCC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000193301610 201024749 /nfs/dbraw/zinc/02/47/49/201024749.db2.gz RKSIORQSWLVICX-DOTOQJQBSA-N 1 3 303.450 2.237 20 0 DEADHO C[C@H]1CCC[C@H](N2CCC([NH2+]CCCn3cncn3)CC2)C1 ZINC000628213718 366770192 /nfs/dbraw/zinc/77/01/92/366770192.db2.gz UZWDITPPFQUCOX-RDJZCZTQSA-N 1 3 305.470 2.301 20 0 DEADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCCCn3cncn3)CC2)C1 ZINC000628213718 366770198 /nfs/dbraw/zinc/77/01/98/366770198.db2.gz UZWDITPPFQUCOX-RDJZCZTQSA-N 1 3 305.470 2.301 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000672884561 541071992 /nfs/dbraw/zinc/07/19/92/541071992.db2.gz NFMVZMLAXPRBNI-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001120470378 781948306 /nfs/dbraw/zinc/94/83/06/781948306.db2.gz QJJZRKUJESMHFO-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001120470378 781948311 /nfs/dbraw/zinc/94/83/11/781948311.db2.gz QJJZRKUJESMHFO-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000195139243 201345888 /nfs/dbraw/zinc/34/58/88/201345888.db2.gz QTTRUYVYQMSILH-YOEHRIQHSA-N 1 3 303.450 2.272 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CC12CCC2 ZINC000675318827 541319680 /nfs/dbraw/zinc/31/96/80/541319680.db2.gz BWOUJQQWAIWEMS-HOTGVXAUSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CC12CCC2 ZINC000675318827 541319683 /nfs/dbraw/zinc/31/96/83/541319683.db2.gz BWOUJQQWAIWEMS-HOTGVXAUSA-N 1 3 307.482 2.051 20 0 DEADHO C[N@@H+]1CCCC[C@H]1CCN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000675497045 541346302 /nfs/dbraw/zinc/34/63/02/541346302.db2.gz UFBDXGFJDAMJOQ-ROUUACIJSA-N 1 3 309.498 2.048 20 0 DEADHO C[N@H+]1CCCC[C@H]1CCN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000675497045 541346304 /nfs/dbraw/zinc/34/63/04/541346304.db2.gz UFBDXGFJDAMJOQ-ROUUACIJSA-N 1 3 309.498 2.048 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]([NH2+]C/C=C\Cl)C(C)C)N(C)C ZINC001422119457 1172318113 /nfs/dbraw/zinc/31/81/13/1172318113.db2.gz NIUGZXWXRRZWHU-JUBSNLHESA-N 1 3 303.878 2.056 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1CC(C)C1 ZINC000621573615 364460121 /nfs/dbraw/zinc/46/01/21/364460121.db2.gz FXLKGOYBSOWWTK-JCYILVPMSA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1CC(C)C1 ZINC000621573615 364460123 /nfs/dbraw/zinc/46/01/23/364460123.db2.gz FXLKGOYBSOWWTK-JCYILVPMSA-N 1 3 324.513 2.090 20 0 DEADHO CCN1CC[C@@H](C[NH2+][C@H]2CCN(C(C)=O)c3ccccc32)C1 ZINC000621749829 364535105 /nfs/dbraw/zinc/53/51/05/364535105.db2.gz DDOMVLDHZXEDKV-RDJZCZTQSA-N 1 3 301.434 2.416 20 0 DEADHO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1cccc(CN3CCCC3)c1)C2 ZINC000621695528 364512172 /nfs/dbraw/zinc/51/21/72/364512172.db2.gz WNAFARNZQYTZSS-PKOBYXMFSA-N 1 3 313.445 2.236 20 0 DEADHO C[C@H]1C[C@H](NCCNC(=O)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000675780148 541381661 /nfs/dbraw/zinc/38/16/61/541381661.db2.gz CCZSGVFITZROBY-SWLSCSKDSA-N 1 3 309.841 2.142 20 0 DEADHO C[C@H]1C[C@H](NCCNC(=O)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000675780148 541381663 /nfs/dbraw/zinc/38/16/63/541381663.db2.gz CCZSGVFITZROBY-SWLSCSKDSA-N 1 3 309.841 2.142 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000623067728 364873826 /nfs/dbraw/zinc/87/38/26/364873826.db2.gz KZBBGWFFODYILM-XIRDDKMYSA-N 1 3 316.449 2.339 20 0 DEADHO CN(C)CCN(C)CCC[NH2+]Cc1ccc(F)c2cccnc12 ZINC000623087687 364879236 /nfs/dbraw/zinc/87/92/36/364879236.db2.gz CJFCJJDZDSHBFD-UHFFFAOYSA-N 1 3 318.440 2.347 20 0 DEADHO C[C@@H](NC1CC1)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000449129245 240086785 /nfs/dbraw/zinc/08/67/85/240086785.db2.gz URMSVBQRNBEFFV-HUUCEWRRSA-N 1 3 315.461 2.469 20 0 DEADHO Cc1ccc(NC(=O)COC2CCC([NH3+])CC2)c(CN(C)C)c1 ZINC000449126701 240090681 /nfs/dbraw/zinc/09/06/81/240090681.db2.gz MTWFVGILKGDNGR-UHFFFAOYSA-N 1 3 319.449 2.282 20 0 DEADHO Cc1cc(CN(C)C)cc(NC(=O)COC2CCC([NH3+])CC2)c1 ZINC000449166494 240149447 /nfs/dbraw/zinc/14/94/47/240149447.db2.gz DEMJTNBUMCKRBP-UHFFFAOYSA-N 1 3 319.449 2.282 20 0 DEADHO C[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+](C)C1)N1CCC(C)CC1 ZINC000623720980 365146602 /nfs/dbraw/zinc/14/66/02/365146602.db2.gz CXCYJDNBGJHDEF-DLBZAZTESA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1)N1CCC(C)CC1 ZINC000623720980 365146604 /nfs/dbraw/zinc/14/66/04/365146604.db2.gz CXCYJDNBGJHDEF-DLBZAZTESA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000624338650 365386992 /nfs/dbraw/zinc/38/69/92/365386992.db2.gz ZODYXNPMXARRMT-GOEBONIOSA-N 1 3 322.497 2.175 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000624338650 365386996 /nfs/dbraw/zinc/38/69/96/365386996.db2.gz ZODYXNPMXARRMT-GOEBONIOSA-N 1 3 322.497 2.175 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000629520639 367233663 /nfs/dbraw/zinc/23/36/63/367233663.db2.gz XCYASXXBAVCHQZ-FZMZJTMJSA-N 1 3 312.408 2.229 20 0 DEADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3cc(CO)ccc3F)C2)C1 ZINC000629541646 367241827 /nfs/dbraw/zinc/24/18/27/367241827.db2.gz YNFNHHOKCVRSIC-KYJSFNMBSA-N 1 3 322.424 2.036 20 0 DEADHO CC(C)[C@H]1CC[C@@H](C)C[C@H]1NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000629545482 367243213 /nfs/dbraw/zinc/24/32/13/367243213.db2.gz BQRKOLSPWBMLTN-XLNGHYISSA-N 1 3 305.470 2.363 20 0 DEADHO CN(C)CCOc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000678276671 541704139 /nfs/dbraw/zinc/70/41/39/541704139.db2.gz JENLSMZWPSVUOG-MSOLQXFVSA-N 1 3 317.477 2.296 20 0 DEADHO CN(C)CCOc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000678276671 541704143 /nfs/dbraw/zinc/70/41/43/541704143.db2.gz JENLSMZWPSVUOG-MSOLQXFVSA-N 1 3 317.477 2.296 20 0 DEADHO C[C@H](C[NH3+])C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000262024094 203175576 /nfs/dbraw/zinc/17/55/76/203175576.db2.gz ASIPATCPRRSMCX-NVXWUHKLSA-N 1 3 303.450 2.171 20 0 DEADHO CCC[C@](C)([NH3+])C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000262095209 203197255 /nfs/dbraw/zinc/19/72/55/203197255.db2.gz BHKMBIKFHPEMLL-ZVZYQTTQSA-N 1 3 303.450 2.283 20 0 DEADHO CCC[C@](C)([NH3+])C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000262170954 203218074 /nfs/dbraw/zinc/21/80/74/203218074.db2.gz XGDSTPKNQZSJEG-IBGZPJMESA-N 1 3 317.477 2.457 20 0 DEADHO CN(C)c1cccc(CN(C)CC[N@H+](C)C2CCN(C)CC2)c1 ZINC000678718880 541759000 /nfs/dbraw/zinc/75/90/00/541759000.db2.gz COXWHXDEDSOPSK-UHFFFAOYSA-N 1 3 318.509 2.210 20 0 DEADHO CN(C)c1cccc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)c1 ZINC000678718880 541759002 /nfs/dbraw/zinc/75/90/02/541759002.db2.gz COXWHXDEDSOPSK-UHFFFAOYSA-N 1 3 318.509 2.210 20 0 DEADHO CN(C)C[C@H](NC(=O)C[C@H]1CCCC[C@H]1[NH3+])c1ccccc1 ZINC000262501162 203312309 /nfs/dbraw/zinc/31/23/09/203312309.db2.gz MAJPEQOWAGSIRM-ZACQAIPSSA-N 1 3 303.450 2.313 20 0 DEADHO Oc1cccc(CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000093735144 193297949 /nfs/dbraw/zinc/29/79/49/193297949.db2.gz ZRMGXOHVRLWOMQ-UHFFFAOYSA-N 1 3 304.434 2.469 20 0 DEADHO C[C@H](CCCCO)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000679344523 541842384 /nfs/dbraw/zinc/84/23/84/541842384.db2.gz YXTGFTUUIHECBQ-QGZVFWFLSA-N 1 3 311.514 2.077 20 0 DEADHO CC[N@H+](C)CCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000066988403 284334668 /nfs/dbraw/zinc/33/46/68/284334668.db2.gz ADZUJMYMFOIMBI-QGZVFWFLSA-N 1 3 318.465 2.074 20 0 DEADHO CC[N@@H+](C)CCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000066988403 284334671 /nfs/dbraw/zinc/33/46/71/284334671.db2.gz ADZUJMYMFOIMBI-QGZVFWFLSA-N 1 3 318.465 2.074 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000247312694 284343185 /nfs/dbraw/zinc/34/31/85/284343185.db2.gz KCAMRXGOUULBTP-IRXDYDNUSA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000247312694 284343179 /nfs/dbraw/zinc/34/31/79/284343179.db2.gz KCAMRXGOUULBTP-IRXDYDNUSA-N 1 3 324.513 2.090 20 0 DEADHO FC(F)(F)CCN1CCC(N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000530179898 284361465 /nfs/dbraw/zinc/36/14/65/284361465.db2.gz YPDBFNQILWWRMR-ZDUSSCGKSA-N 1 3 305.388 2.277 20 0 DEADHO CO[C@@H](Cc1ccc(F)cc1)CN1CCC(OCCC[NH3+])CC1 ZINC000530210403 284373799 /nfs/dbraw/zinc/37/37/99/284373799.db2.gz KDAJXYTVCMPIII-SFHVURJKSA-N 1 3 324.440 2.213 20 0 DEADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)/C=C/CN(C)C ZINC000267432666 206063624 /nfs/dbraw/zinc/06/36/24/206063624.db2.gz NCJLIXGWBBQEEM-XMIMXHRVSA-N 1 3 315.461 2.131 20 0 DEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)/C=C/CN(C)C ZINC000267432666 206063629 /nfs/dbraw/zinc/06/36/29/206063629.db2.gz NCJLIXGWBBQEEM-XMIMXHRVSA-N 1 3 315.461 2.131 20 0 DEADHO C[C@H](NCc1ccn(C)c(=O)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000680401413 542002066 /nfs/dbraw/zinc/00/20/66/542002066.db2.gz YULXJIYNAXPVNF-HOCLYGCPSA-N 1 3 303.450 2.128 20 0 DEADHO C[C@H](NCc1ccn(C)c(=O)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000680401413 542002070 /nfs/dbraw/zinc/00/20/70/542002070.db2.gz YULXJIYNAXPVNF-HOCLYGCPSA-N 1 3 303.450 2.128 20 0 DEADHO C[C@H]([NH2+]Cc1ccn(C)c(=O)c1)[C@H]1CCCN(C2CCC2)C1 ZINC000680401413 542002075 /nfs/dbraw/zinc/00/20/75/542002075.db2.gz YULXJIYNAXPVNF-HOCLYGCPSA-N 1 3 303.450 2.128 20 0 DEADHO C[C@@H](c1ccncc1)N1CCC([NH2+][C@@H]2CNCC[C@H]2C)CC1 ZINC000422963206 296243801 /nfs/dbraw/zinc/24/38/01/296243801.db2.gz FHOBCDCVOAPMNL-RVKKMQEKSA-N 1 3 302.466 2.195 20 0 DEADHO C[C@@H](c1ccncc1)N1CCC(N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422963206 296243802 /nfs/dbraw/zinc/24/38/02/296243802.db2.gz FHOBCDCVOAPMNL-RVKKMQEKSA-N 1 3 302.466 2.195 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)NC(C)(C)CN(C)C)CC(C)C ZINC000457636256 247920440 /nfs/dbraw/zinc/92/04/40/247920440.db2.gz ZIQSTJDDLVBCET-HNNXBMFYSA-N 1 3 314.518 2.382 20 0 DEADHO CC[NH+](CC)CCCN1CCNC[C@H]1c1ccccc1OC ZINC000420319602 284592805 /nfs/dbraw/zinc/59/28/05/284592805.db2.gz XXQAVHHCTNRUFK-KRWDZBQOSA-N 1 3 305.466 2.373 20 0 DEADHO N[C@@H]1CCC[C@H]([NH2+]CCCNC(=O)/C=C\c2ccccc2)C1 ZINC000493193148 249245539 /nfs/dbraw/zinc/24/55/39/249245539.db2.gz SGBCMETWAGDNIV-LXHGKFCDSA-N 1 3 301.434 2.066 20 0 DEADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]CCCN1CCOCC1 ZINC000348325871 284690335 /nfs/dbraw/zinc/69/03/35/284690335.db2.gz XJYHVRDTYNYKGP-ZWKOTPCHSA-N 1 3 311.514 2.199 20 0 DEADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2c(c1)CC(=O)N2C ZINC000268902857 207071323 /nfs/dbraw/zinc/07/13/23/207071323.db2.gz MQVOIAUBUZERLL-DVOMOZLQSA-N 1 3 301.434 2.339 20 0 DEADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2c(c1)CC(=O)N2C ZINC000268902857 207071328 /nfs/dbraw/zinc/07/13/28/207071328.db2.gz MQVOIAUBUZERLL-DVOMOZLQSA-N 1 3 301.434 2.339 20 0 DEADHO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC1(O)CCN(C)CC1 ZINC000268947712 207112004 /nfs/dbraw/zinc/11/20/04/207112004.db2.gz BQXSCEDYFCAOBR-KRWDZBQOSA-N 1 3 308.441 2.439 20 0 DEADHO COc1ccc(Cl)cc1[C@@H](C)NCC1(O)CC[NH+](C)CC1 ZINC000268952478 207117159 /nfs/dbraw/zinc/11/71/59/207117159.db2.gz CMSVZSULVHWULR-GFCCVEGCSA-N 1 3 312.841 2.456 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)CN(C)C(C)C)[NH+](C)C)cc1 ZINC000060161700 184144852 /nfs/dbraw/zinc/14/48/52/184144852.db2.gz CHULYMVHQZNWSU-QGZVFWFLSA-N 1 3 305.466 2.308 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000066192985 184395860 /nfs/dbraw/zinc/39/58/60/184395860.db2.gz OAFLGPAWRHIDIL-KRWDZBQOSA-N 1 3 322.497 2.131 20 0 DEADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000682661742 542336425 /nfs/dbraw/zinc/33/64/25/542336425.db2.gz MEAMCCOKTOQWLW-KRWDZBQOSA-N 1 3 324.513 2.234 20 0 DEADHO CN(C)CCOc1ccccc1CNC(=O)CCCCCC[NH3+] ZINC000269251219 207387976 /nfs/dbraw/zinc/38/79/76/207387976.db2.gz PBRKJHREGDKEPW-UHFFFAOYSA-N 1 3 321.465 2.152 20 0 DEADHO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc2c(c1)CNC2 ZINC000557052636 291856929 /nfs/dbraw/zinc/85/69/29/291856929.db2.gz YTLLSSXSRZGNPT-CYBMUJFWSA-N 1 3 302.422 2.286 20 0 DEADHO COc1cc(OC)cc(OCCN[C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422934676 533078471 /nfs/dbraw/zinc/07/84/71/533078471.db2.gz GFNOJQIIXRZSDM-DYVFJYSZSA-N 1 3 308.422 2.060 20 0 DEADHO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000541720718 285181856 /nfs/dbraw/zinc/18/18/56/285181856.db2.gz TXCLEKOFMHTCGD-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000541720718 285181858 /nfs/dbraw/zinc/18/18/58/285181858.db2.gz TXCLEKOFMHTCGD-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000339463641 285201533 /nfs/dbraw/zinc/20/15/33/285201533.db2.gz DLZNAHCRQOAQEK-SJORKVTESA-N 1 3 307.482 2.051 20 0 DEADHO CCN1CCCN(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)CC1 ZINC000458937886 285211317 /nfs/dbraw/zinc/21/13/17/285211317.db2.gz ONYXGDWGSQJWEA-KRWDZBQOSA-N 1 3 324.513 2.234 20 0 DEADHO COc1ccc([C@H](C)C[N@@H+]2C[C@H](CN)C3(C2)CCOCC3)cc1 ZINC000414772292 533156958 /nfs/dbraw/zinc/15/69/58/533156958.db2.gz BQUKHNGWFLZZJJ-WBVHZDCISA-N 1 3 318.461 2.486 20 0 DEADHO COc1ccc([C@H](C)C[N@H+]2C[C@H](CN)C3(C2)CCOCC3)cc1 ZINC000414772292 533156965 /nfs/dbraw/zinc/15/69/65/533156965.db2.gz BQUKHNGWFLZZJJ-WBVHZDCISA-N 1 3 318.461 2.486 20 0 DEADHO C[C@]1(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CCC[NH2+]C1 ZINC000294736277 224200800 /nfs/dbraw/zinc/20/08/00/224200800.db2.gz DQKDOIDQFNKGEP-HKUYNNGSSA-N 1 3 311.429 2.346 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(F)cc1 ZINC000299726152 285249519 /nfs/dbraw/zinc/24/95/19/285249519.db2.gz RAJXTUNPYJDFGH-QGZVFWFLSA-N 1 3 321.440 2.314 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(F)cc1 ZINC000299726152 285249520 /nfs/dbraw/zinc/24/95/20/285249520.db2.gz RAJXTUNPYJDFGH-QGZVFWFLSA-N 1 3 321.440 2.314 20 0 DEADHO CN(C)CCN(C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CCCC1 ZINC000151907593 196745451 /nfs/dbraw/zinc/74/54/51/196745451.db2.gz OTXZTTPWAZCIRS-NVXWUHKLSA-N 1 3 324.513 2.375 20 0 DEADHO C[C@@H](CC(=O)Nc1ccc2c(c1)CNCC2)C1CC[NH2+]CC1 ZINC000429348406 533447155 /nfs/dbraw/zinc/44/71/55/533447155.db2.gz IZXWWDLITLWKFC-ZDUSSCGKSA-N 1 3 301.434 2.297 20 0 DEADHO C[C@@H](CC[NH3+])NC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000418522941 533575431 /nfs/dbraw/zinc/57/54/31/533575431.db2.gz JPVFCWLVGMPOFA-HNNXBMFYSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000413668571 533591587 /nfs/dbraw/zinc/59/15/87/533591587.db2.gz KAAOCLHZOKXLHX-QXSJWSMHSA-N 1 3 309.498 2.436 20 0 DEADHO CC(C)[C@H](C(=O)NCC12CCC[NH+]1CCC2)N1CCCCC1 ZINC000684848054 542676005 /nfs/dbraw/zinc/67/60/05/542676005.db2.gz BIYUAJZXYQOHEY-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H]2CCCc3cccnc32)CC1 ZINC000684954519 542690972 /nfs/dbraw/zinc/69/09/72/542690972.db2.gz WIQJWEZSFRLTPX-QGZVFWFLSA-N 1 3 302.466 2.076 20 0 DEADHO CC(C)[C@@H](O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000340280962 131325255 /nfs/dbraw/zinc/32/52/55/131325255.db2.gz VRWTZGPWGHMXAX-JZXOWHBKSA-N 1 3 312.498 2.215 20 0 DEADHO CC(C)C[C@H](CO)[N@H+](C)Cc1ccc(OCCN(C)C)cc1 ZINC000685470239 542729438 /nfs/dbraw/zinc/72/94/38/542729438.db2.gz WJXMIPZULMDCFH-QGZVFWFLSA-N 1 3 308.466 2.466 20 0 DEADHO CC(C)C[C@H](CO)[N@@H+](C)Cc1ccc(OCCN(C)C)cc1 ZINC000685470239 542729442 /nfs/dbraw/zinc/72/94/42/542729442.db2.gz WJXMIPZULMDCFH-QGZVFWFLSA-N 1 3 308.466 2.466 20 0 DEADHO Cc1nc(C)c(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)s1 ZINC000562751838 292008721 /nfs/dbraw/zinc/00/87/21/292008721.db2.gz HSMTYMBZPYJLEF-LSDHHAIUSA-N 1 3 309.479 2.478 20 0 DEADHO CC[N@@H+]1CCCN(C(=O)c2ccc(Nc3ccncc3)cc2)CC1 ZINC000353778910 133000936 /nfs/dbraw/zinc/00/09/36/133000936.db2.gz NYENFYNPWQMJDF-UHFFFAOYSA-N 1 3 324.428 2.415 20 0 DEADHO CC[N@H+]1CCCN(C(=O)c2ccc(Nc3ccncc3)cc2)CC1 ZINC000353778910 133000937 /nfs/dbraw/zinc/00/09/37/133000937.db2.gz NYENFYNPWQMJDF-UHFFFAOYSA-N 1 3 324.428 2.415 20 0 DEADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2cscn2)[C@@H](C)C1 ZINC000358041556 133117449 /nfs/dbraw/zinc/11/74/49/133117449.db2.gz UAAPGHKVFLYOFE-GOEBONIOSA-N 1 3 311.495 2.412 20 0 DEADHO CCOCCC[N@H+]1CC[C@@H](NCCc2cscn2)[C@@H](C)C1 ZINC000358041556 133117450 /nfs/dbraw/zinc/11/74/50/133117450.db2.gz UAAPGHKVFLYOFE-GOEBONIOSA-N 1 3 311.495 2.412 20 0 DEADHO CN(CCc1ccc2c(c1)OCCO2)C[C@H]1CCC[N@H+](C)C1 ZINC000360028983 133158586 /nfs/dbraw/zinc/15/85/86/133158586.db2.gz YSRKSTHNDULINJ-INIZCTEOSA-N 1 3 304.434 2.274 20 0 DEADHO CN(CCc1ccc2c(c1)OCCO2)C[C@H]1CCC[N@@H+](C)C1 ZINC000360028983 133158587 /nfs/dbraw/zinc/15/85/87/133158587.db2.gz YSRKSTHNDULINJ-INIZCTEOSA-N 1 3 304.434 2.274 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]C[C@H]2CCN(C3CC3)C2)[C@H](C)C1 ZINC000360036550 133159017 /nfs/dbraw/zinc/15/90/17/133159017.db2.gz GRYBMHXPPACMBD-LMMKCTJWSA-N 1 3 323.525 2.197 20 0 DEADHO CC(C)[N@H+](C)CCNC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000360551072 133189329 /nfs/dbraw/zinc/18/93/29/133189329.db2.gz RQBNIKHPUNAYLF-UHFFFAOYSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)[N@@H+](C)CCNC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000360551072 133189330 /nfs/dbraw/zinc/18/93/30/133189330.db2.gz RQBNIKHPUNAYLF-UHFFFAOYSA-N 1 3 324.513 2.233 20 0 DEADHO O=C(N[C@H]1CC12CC[NH2+]CC2)c1cccc(CN2CCCC2)c1 ZINC000368167283 133263314 /nfs/dbraw/zinc/26/33/14/133263314.db2.gz ZIJGAEOJAFXCON-KRWDZBQOSA-N 1 3 313.445 2.154 20 0 DEADHO c1ncn(-c2cccc(CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)c2)n1 ZINC000563444473 292057667 /nfs/dbraw/zinc/05/76/67/292057667.db2.gz QJQSOHYOZXKCIW-OKZBNKHCSA-N 1 3 311.433 2.278 20 0 DEADHO C[C@H](c1cccnc1)N1CCN(C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414696408 299660032 /nfs/dbraw/zinc/66/00/32/299660032.db2.gz PHEBWRHLAUHMBX-BRWVUGGUSA-N 1 3 302.466 2.148 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)C1 ZINC000564225718 292089367 /nfs/dbraw/zinc/08/93/67/292089367.db2.gz LJKLUYBXEBHVOW-MDMSPXHWSA-N 1 3 313.445 2.003 20 0 DEADHO Cc1ccc(NC(=O)CCNC[C@@H](C)C[NH+]2CCCCC2)nc1 ZINC000564844304 292114884 /nfs/dbraw/zinc/11/48/84/292114884.db2.gz JYIHJGXZHODYBG-MRXNPFEDSA-N 1 3 318.465 2.430 20 0 DEADHO Cc1ccc(NC(=O)CC[NH2+]C[C@@H](C)CN2CCCCC2)nc1 ZINC000564844304 292114885 /nfs/dbraw/zinc/11/48/85/292114885.db2.gz JYIHJGXZHODYBG-MRXNPFEDSA-N 1 3 318.465 2.430 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)COCc2ccccc2)[C@@H](C)C1 ZINC000246506895 145105035 /nfs/dbraw/zinc/10/50/35/145105035.db2.gz IAHKKXHDENWOOU-WDSOQIARSA-N 1 3 320.477 2.226 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)COCc2ccccc2)[C@@H](C)C1 ZINC000246506895 145105036 /nfs/dbraw/zinc/10/50/36/145105036.db2.gz IAHKKXHDENWOOU-WDSOQIARSA-N 1 3 320.477 2.226 20 0 DEADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+][C@H]1CC(=O)N(c2ccccc2)C1 ZINC000246892650 145118615 /nfs/dbraw/zinc/11/86/15/145118615.db2.gz DUGUGMRMTDCXIG-PNBKFKSVSA-N 1 3 301.434 2.110 20 0 DEADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccncc1 ZINC000248454125 145155646 /nfs/dbraw/zinc/15/56/46/145155646.db2.gz QXFYNGWICMUYMA-DNVCBOLYSA-N 1 3 311.429 2.499 20 0 DEADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccncc1 ZINC000248454125 145155647 /nfs/dbraw/zinc/15/56/47/145155647.db2.gz QXFYNGWICMUYMA-DNVCBOLYSA-N 1 3 311.429 2.499 20 0 DEADHO C[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)c1cccc(OCCN(C)C)c1 ZINC000249136811 145179725 /nfs/dbraw/zinc/17/97/25/145179725.db2.gz VOIHRIACVLUIPJ-ZMSDIMECSA-N 1 3 306.450 2.439 20 0 DEADHO C[C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)[C@@H](N)c1ccccc1 ZINC000261713420 145219228 /nfs/dbraw/zinc/21/92/28/145219228.db2.gz LIOWCOGLPQGDDW-CGTJXYLNSA-N 1 3 315.461 2.409 20 0 DEADHO C[NH+](C)C1(CNC(=O)[C@H](CN)c2ccccc2)CCCCC1 ZINC000261834635 145231914 /nfs/dbraw/zinc/23/19/14/145231914.db2.gz BZUFEWTYENIHJS-MRXNPFEDSA-N 1 3 303.450 2.110 20 0 DEADHO Cc1cccc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000261950489 145246395 /nfs/dbraw/zinc/24/63/95/145246395.db2.gz WFBQAGRVCSCQRE-QZTJIDSGSA-N 1 3 315.461 2.075 20 0 DEADHO C[C@H]([NH3+])C1CCN(Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000262023477 145253724 /nfs/dbraw/zinc/25/37/24/145253724.db2.gz WKSFNEIKYFGPPS-LBPRGKRZSA-N 1 3 319.840 2.480 20 0 DEADHO O=C(Nc1ccccc1O)C1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000262044236 145255836 /nfs/dbraw/zinc/25/58/36/145255836.db2.gz YTEQPBGPMGLSHD-CQSZACIVSA-N 1 3 317.433 2.042 20 0 DEADHO Cc1cc(CN2CC[C@H](N3CC[NH2+]CC3)C2)cc2cccnc12 ZINC000262116267 145262733 /nfs/dbraw/zinc/26/27/33/145262733.db2.gz LIYSEKKLHWGINP-SFHVURJKSA-N 1 3 310.445 2.023 20 0 DEADHO C[C@H](CC(=O)N(CCN(C)C)C1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000262318574 145275578 /nfs/dbraw/zinc/27/55/78/145275578.db2.gz QRLJVHWPAOXJAB-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)[C@@H](N)CC(F)F)c1ccccc1 ZINC000319362702 145371098 /nfs/dbraw/zinc/37/10/98/145371098.db2.gz SPKGAJZEGOPGPY-UONOGXRCSA-N 1 3 313.392 2.168 20 0 DEADHO C[C@H](C[NH+](C)C)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000346155563 146025625 /nfs/dbraw/zinc/02/56/25/146025625.db2.gz ARMRJBLEIVQAGZ-ZBFHGGJFSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1CCCO1 ZINC000346559636 146102011 /nfs/dbraw/zinc/10/20/11/146102011.db2.gz MHLJQDNSBDYROQ-KXBFYZLASA-N 1 3 318.461 2.300 20 0 DEADHO Cn1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(-c2cccnc2)n1 ZINC000346831624 146149657 /nfs/dbraw/zinc/14/96/57/146149657.db2.gz QIYFCKXSRJFVLG-BHYGNILZSA-N 1 3 311.433 2.041 20 0 DEADHO Cc1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1-n1cncn1 ZINC000346855683 146154271 /nfs/dbraw/zinc/15/42/71/146154271.db2.gz VFPYUXYQHAUBJN-GVDBMIGSSA-N 1 3 311.433 2.135 20 0 DEADHO Cc1cc(C)n2c(CN3CCC([C@H]4CCC[NH2+]4)CC3)cnc2n1 ZINC000347104090 146194493 /nfs/dbraw/zinc/19/44/93/146194493.db2.gz KYRRLNSUYQGCLE-QGZVFWFLSA-N 1 3 313.449 2.310 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cccnc1C ZINC000349033995 146342273 /nfs/dbraw/zinc/34/22/73/146342273.db2.gz BQDWWUGJFYRSFY-GOSISDBHSA-N 1 3 304.482 2.238 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cccnc1C ZINC000349033995 146342274 /nfs/dbraw/zinc/34/22/74/146342274.db2.gz BQDWWUGJFYRSFY-GOSISDBHSA-N 1 3 304.482 2.238 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)CN1C1CC1 ZINC000358269304 147102922 /nfs/dbraw/zinc/10/29/22/147102922.db2.gz UWYXRERQSSLWMB-CABCVRRESA-N 1 3 322.497 2.033 20 0 DEADHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@H](C)CN(C)C)CC1 ZINC000358514459 147148731 /nfs/dbraw/zinc/14/87/31/147148731.db2.gz ZPTFRAHEBOSEDU-OAHLLOKOSA-N 1 3 312.502 2.090 20 0 DEADHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H](C)CN(C)C)CC1 ZINC000358514459 147148732 /nfs/dbraw/zinc/14/87/32/147148732.db2.gz ZPTFRAHEBOSEDU-OAHLLOKOSA-N 1 3 312.502 2.090 20 0 DEADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)NCc1ccc(Cl)cc1 ZINC000358520476 147149312 /nfs/dbraw/zinc/14/93/12/147149312.db2.gz VAQHRVMVSWXTMK-UHFFFAOYSA-N 1 3 321.852 2.032 20 0 DEADHO C[C@H](NC(=O)NCC(C)(C)C[NH+]1CCCC1)C1=CCN(C)CC1 ZINC000358755250 147197234 /nfs/dbraw/zinc/19/72/34/147197234.db2.gz NWJXFNMSNQGNTH-HNNXBMFYSA-N 1 3 322.497 2.058 20 0 DEADHO NC[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(F)cc1 ZINC000358855018 147218840 /nfs/dbraw/zinc/21/88/40/147218840.db2.gz HUUKBURICHCAMV-DOTOQJQBSA-N 1 3 319.424 2.001 20 0 DEADHO NC[C@@H](C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc(F)cc1 ZINC000358855018 147218845 /nfs/dbraw/zinc/21/88/45/147218845.db2.gz HUUKBURICHCAMV-DOTOQJQBSA-N 1 3 319.424 2.001 20 0 DEADHO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000358865251 147221695 /nfs/dbraw/zinc/22/16/95/147221695.db2.gz MDVOAKXADYAVBY-WMLDXEAASA-N 1 3 323.456 2.495 20 0 DEADHO C[C@H](Cc1ccccc1C(F)(F)F)NC[C@@H](O)C[NH+](C)C ZINC000360841011 147394169 /nfs/dbraw/zinc/39/41/69/147394169.db2.gz PXESMHNGUOQFEV-DGCLKSJQSA-N 1 3 304.356 2.149 20 0 DEADHO CC1CC[NH+](CCN2CCC(CCN3CCOCC3)CC2)CC1 ZINC000372036995 148162898 /nfs/dbraw/zinc/16/28/98/148162898.db2.gz IHWSEKSENGTJHC-UHFFFAOYSA-N 1 3 323.525 2.153 20 0 DEADHO CC1CCN(CC[NH+]2CCC(CCN3CCOCC3)CC2)CC1 ZINC000372036995 148162900 /nfs/dbraw/zinc/16/29/00/148162900.db2.gz IHWSEKSENGTJHC-UHFFFAOYSA-N 1 3 323.525 2.153 20 0 DEADHO C[NH2+]CCCC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000372106344 148170278 /nfs/dbraw/zinc/17/02/78/148170278.db2.gz YRHRRNSKYYFWJW-CZUORRHYSA-N 1 3 309.479 2.247 20 0 DEADHO CN1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH2+]2)[C@H]1c1cccs1 ZINC000372106070 148170545 /nfs/dbraw/zinc/17/05/45/148170545.db2.gz UZNUYOPTMRPOCU-YCPHGPKFSA-N 1 3 321.490 2.389 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCCC1CCOCC1 ZINC000375067947 148327430 /nfs/dbraw/zinc/32/74/30/148327430.db2.gz FZYKXEBPZUZCAL-KURKYZTESA-N 1 3 310.482 2.377 20 0 DEADHO Cc1nccnc1CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000565945152 292192499 /nfs/dbraw/zinc/19/24/99/292192499.db2.gz WAGWBFHEOQIFTL-PKOBYXMFSA-N 1 3 324.428 2.173 20 0 DEADHO C[C@@H]([NH3+])C[C@H](C)NCc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000566009801 292197273 /nfs/dbraw/zinc/19/72/73/292197273.db2.gz MIKTXYLGQSJOMR-NEPJUHHUSA-N 1 3 316.405 2.063 20 0 DEADHO C[NH+](C)CCOc1ccccc1CNC[C@H](O)CC(F)(F)F ZINC000566109295 292206288 /nfs/dbraw/zinc/20/62/88/292206288.db2.gz OMLXSJPCEYBAPS-CYBMUJFWSA-N 1 3 320.355 2.030 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000073660216 401720099 /nfs/dbraw/zinc/72/00/99/401720099.db2.gz PQMVEZSUSYYVSW-IRXDYDNUSA-N 1 3 324.513 2.092 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000073660216 401720100 /nfs/dbraw/zinc/72/01/00/401720100.db2.gz PQMVEZSUSYYVSW-IRXDYDNUSA-N 1 3 324.513 2.092 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(F)c(Cl)c1 ZINC000127755409 401748538 /nfs/dbraw/zinc/74/85/38/401748538.db2.gz XCZCJUJCOCFLHN-UHFFFAOYSA-N 1 3 315.820 2.045 20 0 DEADHO CC(C)[NH+](CCNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)C(C)C ZINC000127312640 401728677 /nfs/dbraw/zinc/72/86/77/401728677.db2.gz RCWLHMZMAMARMB-HUUCEWRRSA-N 1 3 310.486 2.030 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000127473452 401736371 /nfs/dbraw/zinc/73/63/71/401736371.db2.gz PVBDRSGPWTZWHI-GOEBONIOSA-N 1 3 322.497 2.175 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000074499079 401740647 /nfs/dbraw/zinc/74/06/47/401740647.db2.gz XAXHBPVLAASPPS-SJORKVTESA-N 1 3 322.497 2.034 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000074499079 401740649 /nfs/dbraw/zinc/74/06/49/401740649.db2.gz XAXHBPVLAASPPS-SJORKVTESA-N 1 3 322.497 2.034 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCN2CCC(C)CC2)C1 ZINC000073659533 401719838 /nfs/dbraw/zinc/71/98/38/401719838.db2.gz DIBOZNVOFXSQOA-QGZVFWFLSA-N 1 3 324.513 2.092 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCCN2CCC(C)CC2)C1 ZINC000073659533 401719840 /nfs/dbraw/zinc/71/98/40/401719840.db2.gz DIBOZNVOFXSQOA-QGZVFWFLSA-N 1 3 324.513 2.092 20 0 DEADHO CN1CCC[C@H]1CC[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000128729835 401789285 /nfs/dbraw/zinc/78/92/85/401789285.db2.gz ACNSMXUTZDVBHQ-KRWDZBQOSA-N 1 3 307.482 2.195 20 0 DEADHO CC1CC[NH+](C2CCC(NC(=O)C3CCN(C)CC3)CC2)CC1 ZINC000128778670 401791209 /nfs/dbraw/zinc/79/12/09/401791209.db2.gz KGOANALDLPRSHG-UHFFFAOYSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000116065122 401841093 /nfs/dbraw/zinc/84/10/93/401841093.db2.gz YYZMZIPYLFRLIT-YOEHRIQHSA-N 1 3 301.434 2.080 20 0 DEADHO C[C@@H](CC(=O)N(CCN(C)C)CC[NH+](C)C)c1cccc(F)c1 ZINC000116192710 401844845 /nfs/dbraw/zinc/84/48/45/401844845.db2.gz TVUQNURPAAGSDS-HNNXBMFYSA-N 1 3 323.456 2.271 20 0 DEADHO CC(C)[C@H](CNC(=O)NC1CCN(C)CC1)[NH+]1CCC(C)CC1 ZINC000078511707 401853982 /nfs/dbraw/zinc/85/39/82/401853982.db2.gz PQIABFVFYUCQCB-KRWDZBQOSA-N 1 3 324.513 2.136 20 0 DEADHO CC[N@@H+]1CCC[C@H](CN[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000131898175 401858465 /nfs/dbraw/zinc/85/84/65/401858465.db2.gz GGXMYSYLZCSMBX-HUUCEWRRSA-N 1 3 311.470 2.317 20 0 DEADHO CC[N@H+]1CCC[C@H](CN[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000131898175 401858469 /nfs/dbraw/zinc/85/84/69/401858469.db2.gz GGXMYSYLZCSMBX-HUUCEWRRSA-N 1 3 311.470 2.317 20 0 DEADHO C[C@@H](NC(=O)N1CCN(C2CCCC2)CC1)C(C)(C)C[NH+](C)C ZINC000085424505 401916406 /nfs/dbraw/zinc/91/64/06/401916406.db2.gz GFZAGKMOIIOQSQ-OAHLLOKOSA-N 1 3 324.513 2.233 20 0 DEADHO COc1ccc2c(c1)[C@@H](NCCC[NH+]1CCC(O)CC1)CC2 ZINC000151361671 402031995 /nfs/dbraw/zinc/03/19/95/402031995.db2.gz BRFMKSRRRKDKEQ-SFHVURJKSA-N 1 3 304.434 2.119 20 0 DEADHO O=C1[C@@H](N2CCC(CCC[NH+]3CCCC3)CC2)CCN1C1CC1 ZINC000121592836 402045845 /nfs/dbraw/zinc/04/58/45/402045845.db2.gz MDZXXTPNTQFOGI-SFHVURJKSA-N 1 3 319.493 2.338 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCN1CCc2ccccc2C1 ZINC000121740187 402050792 /nfs/dbraw/zinc/05/07/92/402050792.db2.gz BCFBHEDFUITFIP-GPMSIDNRSA-N 1 3 301.478 2.363 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCN1CCc2ccccc2C1 ZINC000121740187 402050793 /nfs/dbraw/zinc/05/07/93/402050793.db2.gz BCFBHEDFUITFIP-GPMSIDNRSA-N 1 3 301.478 2.363 20 0 DEADHO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC000124446405 402180304 /nfs/dbraw/zinc/18/03/04/402180304.db2.gz YJHBSKXFESFCKS-QZTJIDSGSA-N 1 3 319.493 2.242 20 0 DEADHO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC000124446405 402180307 /nfs/dbraw/zinc/18/03/07/402180307.db2.gz YJHBSKXFESFCKS-QZTJIDSGSA-N 1 3 319.493 2.242 20 0 DEADHO CC[C@@H](C(=O)NCc1ccccc1C[NH+](CC)CC)N(C)C ZINC000124599336 402187320 /nfs/dbraw/zinc/18/73/20/402187320.db2.gz XNUSTPBUTMESGP-KRWDZBQOSA-N 1 3 305.466 2.485 20 0 DEADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H](C)N1 ZINC000154085692 402191947 /nfs/dbraw/zinc/19/19/47/402191947.db2.gz NGWOIHVEVHCKGE-SOLBZPMBSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H](C)N1 ZINC000154085692 402191948 /nfs/dbraw/zinc/19/19/48/402191948.db2.gz NGWOIHVEVHCKGE-SOLBZPMBSA-N 1 3 315.461 2.107 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000104136671 402199144 /nfs/dbraw/zinc/19/91/44/402199144.db2.gz JVJYFLASSYJAQU-QGZVFWFLSA-N 1 3 303.450 2.239 20 0 DEADHO CC[NH+](CC)CCCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000125543666 402238489 /nfs/dbraw/zinc/23/84/89/402238489.db2.gz CLMIJYPBCQINRH-QGZVFWFLSA-N 1 3 320.481 2.320 20 0 DEADHO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CC[C@@H]2CCCN2C)C1 ZINC000125049849 402210093 /nfs/dbraw/zinc/21/00/93/402210093.db2.gz RHJRIANNKBAVAE-ULQDDVLXSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC[C@@H]2CCCN2C)C1 ZINC000125049849 402210096 /nfs/dbraw/zinc/21/00/96/402210096.db2.gz RHJRIANNKBAVAE-ULQDDVLXSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[C@H](C)NC(=O)[C@H]1CCCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000125049849 402210098 /nfs/dbraw/zinc/21/00/98/402210098.db2.gz RHJRIANNKBAVAE-ULQDDVLXSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[C@H](C)NC(=O)[C@H]1CCCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000125049849 402210100 /nfs/dbraw/zinc/21/01/00/402210100.db2.gz RHJRIANNKBAVAE-ULQDDVLXSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000176559011 402319542 /nfs/dbraw/zinc/31/95/42/402319542.db2.gz KTMDEEAVAZAGDA-HZPDHXFCSA-N 1 3 312.502 2.088 20 0 DEADHO Cc1cc(CNCCOCC[NH+](C)C)ccc1Br ZINC000230004562 402346211 /nfs/dbraw/zinc/34/62/11/402346211.db2.gz VLGSTHHIADKKEZ-UHFFFAOYSA-N 1 3 315.255 2.425 20 0 DEADHO CN(CCN(C)C1CC1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000185508759 402357822 /nfs/dbraw/zinc/35/78/22/402357822.db2.gz UZLZOQCOKIAHEU-UHFFFAOYSA-N 1 3 322.497 2.129 20 0 DEADHO CCCN1CCC([N@H+](C)C[C@@H](O)COc2ccccc2F)CC1 ZINC000177051634 402364383 /nfs/dbraw/zinc/36/43/83/402364383.db2.gz XIBCRJULAHUNOC-MRXNPFEDSA-N 1 3 324.440 2.372 20 0 DEADHO CCCN1CCC([N@@H+](C)C[C@@H](O)COc2ccccc2F)CC1 ZINC000177051634 402364387 /nfs/dbraw/zinc/36/43/87/402364387.db2.gz XIBCRJULAHUNOC-MRXNPFEDSA-N 1 3 324.440 2.372 20 0 DEADHO CC(C)C[C@H](N)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000236656620 402371705 /nfs/dbraw/zinc/37/17/05/402371705.db2.gz LWAFEFHYTGDFSC-BBWFWOEESA-N 1 3 309.498 2.473 20 0 DEADHO CC(C)C[C@H](N)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000236656620 402371707 /nfs/dbraw/zinc/37/17/07/402371707.db2.gz LWAFEFHYTGDFSC-BBWFWOEESA-N 1 3 309.498 2.473 20 0 DEADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C1(N)CCCC1 ZINC000236654209 402371812 /nfs/dbraw/zinc/37/18/12/402371812.db2.gz UNVOVNUWPPHHQU-UHFFFAOYSA-N 1 3 303.450 2.415 20 0 DEADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C1(N)CCCC1 ZINC000236654209 402371814 /nfs/dbraw/zinc/37/18/14/402371814.db2.gz UNVOVNUWPPHHQU-UHFFFAOYSA-N 1 3 303.450 2.415 20 0 DEADHO CCC(CC)(C[NH3+])C(=O)NCCCN1CCc2ccccc2C1 ZINC000236662471 402372278 /nfs/dbraw/zinc/37/22/78/402372278.db2.gz YGHGWZXRMIAROJ-UHFFFAOYSA-N 1 3 317.477 2.316 20 0 DEADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)CCC[NH3+] ZINC000236673916 402373382 /nfs/dbraw/zinc/37/33/82/402373382.db2.gz VHWQMIYZZRNVBZ-KRWDZBQOSA-N 1 3 317.477 2.315 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)[C@@]2(C)CCCC[NH2+]2)cc1 ZINC000236725456 402378502 /nfs/dbraw/zinc/37/85/02/402378502.db2.gz LLOCKTOZYFFKID-FUHWJXTLSA-N 1 3 303.450 2.458 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)C[C@H](N)c2ccccc2)CC1 ZINC000236757922 402381034 /nfs/dbraw/zinc/38/10/34/402381034.db2.gz XVBZLOLXEQQQMU-KRWDZBQOSA-N 1 3 303.450 2.457 20 0 DEADHO C[C@@H](CC(=O)NCc1cccc(CN(C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC000237475940 402409539 /nfs/dbraw/zinc/40/95/39/402409539.db2.gz JDRWCQKVGZFWJT-MAUKXSAKSA-N 1 3 317.477 2.390 20 0 DEADHO C[C@]1(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CCCC[NH2+]1 ZINC000237560359 402412752 /nfs/dbraw/zinc/41/27/52/402412752.db2.gz MRRAYXMUEDOADP-IEBWSBKVSA-N 1 3 315.461 2.472 20 0 DEADHO C[C@H](Cn1cccn1)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000237587354 402413801 /nfs/dbraw/zinc/41/38/01/402413801.db2.gz BNLHKNNNDQFHFN-MRXNPFEDSA-N 1 3 316.449 2.392 20 0 DEADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)C1CC[NH2+]CC1 ZINC000237951614 402427087 /nfs/dbraw/zinc/42/70/87/402427087.db2.gz AMPBDKVNVWQVIP-AWEZNQCLSA-N 1 3 321.490 2.076 20 0 DEADHO O=C(NCC1CCN(Cc2cccs2)CC1)C1CC[NH2+]CC1 ZINC000238010245 402431695 /nfs/dbraw/zinc/43/16/95/402431695.db2.gz GTUTWIHYHAJMJP-UHFFFAOYSA-N 1 3 321.490 2.076 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)COCc3cccs3)CC[C@@H]21 ZINC000162815720 402432849 /nfs/dbraw/zinc/43/28/49/402432849.db2.gz IUCWIRUYTHTKPN-VYDXJSESSA-N 1 3 324.490 2.042 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C[C@H](O)COCc3cccs3)CC[C@@H]21 ZINC000162815720 402432852 /nfs/dbraw/zinc/43/28/52/402432852.db2.gz IUCWIRUYTHTKPN-VYDXJSESSA-N 1 3 324.490 2.042 20 0 DEADHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)COCc3cccs3)CC[C@@H]21 ZINC000162815720 402432854 /nfs/dbraw/zinc/43/28/54/402432854.db2.gz IUCWIRUYTHTKPN-VYDXJSESSA-N 1 3 324.490 2.042 20 0 DEADHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)COCc3cccs3)CC[C@@H]21 ZINC000162815720 402432858 /nfs/dbraw/zinc/43/28/58/402432858.db2.gz IUCWIRUYTHTKPN-VYDXJSESSA-N 1 3 324.490 2.042 20 0 DEADHO COc1cccc([C@H](C)[NH2+]CCCN2CCCN(C)CC2)c1 ZINC000177303022 402389332 /nfs/dbraw/zinc/38/93/32/402389332.db2.gz LZGKMUDFEMWURH-INIZCTEOSA-N 1 3 305.466 2.373 20 0 DEADHO C[C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)[C@H](N)c1ccccc1 ZINC000163570726 402452851 /nfs/dbraw/zinc/45/28/51/402452851.db2.gz LIOWCOGLPQGDDW-SZMVWBNQSA-N 1 3 315.461 2.409 20 0 DEADHO C[NH2+]C[C@H](C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000168511859 402496480 /nfs/dbraw/zinc/49/64/80/402496480.db2.gz PYCBZMHPKSWODH-LZLYRXPVSA-N 1 3 317.477 2.353 20 0 DEADHO C[C@H](CNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C)C[NH+]1CCCCC1 ZINC000246186775 402517042 /nfs/dbraw/zinc/51/70/42/402517042.db2.gz HXWVACKMOFTFKH-BRWVUGGUSA-N 1 3 324.513 2.090 20 0 DEADHO CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]C2)[C@H]1c1cccs1 ZINC000246244316 402519623 /nfs/dbraw/zinc/51/96/23/402519623.db2.gz JECCJPBRJCRXNQ-FMKPAKJESA-N 1 3 321.490 2.247 20 0 DEADHO C[C@H](CNC(=O)Nc1cccc(CN(C)C)c1)[N@H+](C)C1CC1 ZINC000170794127 402526181 /nfs/dbraw/zinc/52/61/81/402526181.db2.gz BRGNAJOZJPMXEE-CYBMUJFWSA-N 1 3 304.438 2.352 20 0 DEADHO C[C@H](CNC(=O)Nc1cccc(CN(C)C)c1)[N@@H+](C)C1CC1 ZINC000170794127 402526184 /nfs/dbraw/zinc/52/61/84/402526184.db2.gz BRGNAJOZJPMXEE-CYBMUJFWSA-N 1 3 304.438 2.352 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000246366305 402527489 /nfs/dbraw/zinc/52/74/89/402527489.db2.gz FSYYSGYQTBMWSA-IAGOWNOFSA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000246366305 402527490 /nfs/dbraw/zinc/52/74/90/402527490.db2.gz FSYYSGYQTBMWSA-IAGOWNOFSA-N 1 3 324.513 2.138 20 0 DEADHO CN1CCC[C@@H](C[N@H+](C)C[C@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000246566219 402536906 /nfs/dbraw/zinc/53/69/06/402536906.db2.gz DSNVOCYCNQPIGC-WBVHZDCISA-N 1 3 317.433 2.285 20 0 DEADHO CN1CCC[C@@H](C[N@@H+](C)C[C@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000246566219 402536910 /nfs/dbraw/zinc/53/69/10/402536910.db2.gz DSNVOCYCNQPIGC-WBVHZDCISA-N 1 3 317.433 2.285 20 0 DEADHO C[C@H]1CCN(C(=O)C[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000249540645 402633635 /nfs/dbraw/zinc/63/36/35/402633635.db2.gz DURJPDXFNQBATC-FUHWJXTLSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@@H](CN1CCCC[C@@H]1CCO)C[N@@H+]1CCCC[C@H]1CCO ZINC000251074158 402647184 /nfs/dbraw/zinc/64/71/84/402647184.db2.gz FZUJKZQSTTYCEH-BCDXTJNWSA-N 1 3 312.498 2.096 20 0 DEADHO C[C@@H](CN1CCCC[C@@H]1CCO)C[N@H+]1CCCC[C@H]1CCO ZINC000251074158 402647186 /nfs/dbraw/zinc/64/71/86/402647186.db2.gz FZUJKZQSTTYCEH-BCDXTJNWSA-N 1 3 312.498 2.096 20 0 DEADHO C[C@H](CN1CCCC[C@H]1CCO)C[N@@H+]1CCCC[C@@H]1CCO ZINC000251074158 402647188 /nfs/dbraw/zinc/64/71/88/402647188.db2.gz FZUJKZQSTTYCEH-BCDXTJNWSA-N 1 3 312.498 2.096 20 0 DEADHO C[C@H](CN1CCCC[C@H]1CCO)C[N@H+]1CCCC[C@@H]1CCO ZINC000251074158 402647191 /nfs/dbraw/zinc/64/71/91/402647191.db2.gz FZUJKZQSTTYCEH-BCDXTJNWSA-N 1 3 312.498 2.096 20 0 DEADHO CCO[C@@H]1C[C@@H]([NH2+]CCCCN2CCN(CC)CC2)C12CCC2 ZINC000181493546 402647333 /nfs/dbraw/zinc/64/73/33/402647333.db2.gz XNLNPXAUGJBQIX-QZTJIDSGSA-N 1 3 323.525 2.341 20 0 DEADHO C[C@@H]([NH3+])[C@H](C)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000192103237 402711395 /nfs/dbraw/zinc/71/13/95/402711395.db2.gz JLUCBXHELLHZPW-QWHCGFSZSA-N 1 3 309.479 2.060 20 0 DEADHO C[C@@H]([NH3+])[C@H](C)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000192113910 402712578 /nfs/dbraw/zinc/71/25/78/402712578.db2.gz HUUVPJSXNAGEKN-CUSZFKRNSA-N 1 3 317.477 2.481 20 0 DEADHO C[C@H](NC(=O)NC1CCN(C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182360327 402683677 /nfs/dbraw/zinc/68/36/77/402683677.db2.gz PWJMGSHDGATGMA-GJZGRUSLSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](NC(=O)NC1CCN(C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182360327 402683681 /nfs/dbraw/zinc/68/36/81/402683681.db2.gz PWJMGSHDGATGMA-GJZGRUSLSA-N 1 3 322.497 2.033 20 0 DEADHO CCC[C@@](C)([NH3+])C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000262570785 402727077 /nfs/dbraw/zinc/72/70/77/402727077.db2.gz MYEXGHQLRFKFKO-KBXCAEBGSA-N 1 3 318.465 2.241 20 0 DEADHO C[C@@H]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)[C@H](C)C1 ZINC000414195362 296659438 /nfs/dbraw/zinc/65/94/38/296659438.db2.gz NZWHIQVFZFBJFG-KZNAEPCWSA-N 1 3 323.525 2.197 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000174841183 402759713 /nfs/dbraw/zinc/75/97/13/402759713.db2.gz DKQOYJUZTJPERU-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000174841183 402759716 /nfs/dbraw/zinc/75/97/16/402759716.db2.gz DKQOYJUZTJPERU-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000175136798 402782461 /nfs/dbraw/zinc/78/24/61/402782461.db2.gz ITUPCSJVZXCXPG-QGZVFWFLSA-N 1 3 324.513 2.426 20 0 DEADHO O=C(C1CCN(C2CC2)CC1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000194692140 402810467 /nfs/dbraw/zinc/81/04/67/402810467.db2.gz WKSXUNWLJUABFK-MRXNPFEDSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@H]([NH2+]C(C)(C)CNC(=O)/C=C/CN(C)C)c1ccccc1 ZINC000265706562 402941873 /nfs/dbraw/zinc/94/18/73/402941873.db2.gz SUYQCTFAJVEDFZ-RZXPCSSPSA-N 1 3 303.450 2.350 20 0 DEADHO C[C@@H]1CN[C@@H](C)CN1C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000272559003 402953036 /nfs/dbraw/zinc/95/30/36/402953036.db2.gz NKIDWTZKGIOTOH-JKSUJKDBSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCCN1C1CC1 ZINC000280065154 402967024 /nfs/dbraw/zinc/96/70/24/402967024.db2.gz BKGKVIBLQSJYHQ-MAUKXSAKSA-N 1 3 315.461 2.250 20 0 DEADHO COCC[N@H+](C)CCCN[C@H](C)c1ccc(OC)c(OC)c1 ZINC000266828265 402994508 /nfs/dbraw/zinc/99/45/08/402994508.db2.gz DHGFIQORSQWWOD-CQSZACIVSA-N 1 3 310.438 2.323 20 0 DEADHO COCC[N@@H+](C)CCCN[C@H](C)c1ccc(OC)c(OC)c1 ZINC000266828265 402994510 /nfs/dbraw/zinc/99/45/10/402994510.db2.gz DHGFIQORSQWWOD-CQSZACIVSA-N 1 3 310.438 2.323 20 0 DEADHO Cc1nccn1CCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280477204 403003350 /nfs/dbraw/zinc/00/33/50/403003350.db2.gz PJQYBLWCSUYHIR-KDURUIRLSA-N 1 3 310.445 2.255 20 0 DEADHO Cc1nccn1CCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280477204 403003352 /nfs/dbraw/zinc/00/33/52/403003352.db2.gz PJQYBLWCSUYHIR-KDURUIRLSA-N 1 3 310.445 2.255 20 0 DEADHO Cc1nccn1CC[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000280477204 403003354 /nfs/dbraw/zinc/00/33/54/403003354.db2.gz PJQYBLWCSUYHIR-KDURUIRLSA-N 1 3 310.445 2.255 20 0 DEADHO Cc1nccn1CC[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000280477204 403003356 /nfs/dbraw/zinc/00/33/56/403003356.db2.gz PJQYBLWCSUYHIR-KDURUIRLSA-N 1 3 310.445 2.255 20 0 DEADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc2c(n1)CCC2 ZINC000566606543 292255115 /nfs/dbraw/zinc/25/51/15/292255115.db2.gz MPQQNCWRSPSGOZ-UHFFFAOYSA-N 1 3 316.493 2.028 20 0 DEADHO C[C@H](CC(N)=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000267263370 403030546 /nfs/dbraw/zinc/03/05/46/403030546.db2.gz QNHKSXXYTYAHFG-HZTRTUMWSA-N 1 3 301.434 2.036 20 0 DEADHO C[C@H](CC(N)=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000267263370 403030548 /nfs/dbraw/zinc/03/05/48/403030548.db2.gz QNHKSXXYTYAHFG-HZTRTUMWSA-N 1 3 301.434 2.036 20 0 DEADHO OC1CC[NH+](CCCN[C@H](c2cccnc2)C2CCC2)CC1 ZINC000280778299 403036046 /nfs/dbraw/zinc/03/60/46/403036046.db2.gz GQNBKDSJHCLSSR-SFHVURJKSA-N 1 3 303.450 2.359 20 0 DEADHO C[C@@H](CCO)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000268309286 403072419 /nfs/dbraw/zinc/07/24/19/403072419.db2.gz BFDYZCIXUWOBAZ-INIZCTEOSA-N 1 3 319.493 2.325 20 0 DEADHO CC(C)N1CCC(O)(C[NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000268422429 403081494 /nfs/dbraw/zinc/08/14/94/403081494.db2.gz LZHJQSQVZIVMAR-UHFFFAOYSA-N 1 3 301.434 2.493 20 0 DEADHO CC(C)C(=O)NCCN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268698919 403107508 /nfs/dbraw/zinc/10/75/08/403107508.db2.gz ARVXPQHQUHSMST-AEFFLSMTSA-N 1 3 317.477 2.401 20 0 DEADHO CC(C)C(=O)NCCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268698919 403107510 /nfs/dbraw/zinc/10/75/10/403107510.db2.gz ARVXPQHQUHSMST-AEFFLSMTSA-N 1 3 317.477 2.401 20 0 DEADHO CCN1CC[C@H]([NH2+]Cc2ccc(CS(C)(=O)=O)cc2)[C@@H](C)C1 ZINC000268764805 403111901 /nfs/dbraw/zinc/11/19/01/403111901.db2.gz BFQZRPRTWPJNMN-YOEHRIQHSA-N 1 3 324.490 2.051 20 0 DEADHO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)[C@@H](C1CC1)N1CCCC1 ZINC000566638643 292257865 /nfs/dbraw/zinc/25/78/65/292257865.db2.gz SKEBFXPDYKKTKD-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)[C@@H](C1CC1)N1CCCC1 ZINC000566638643 292257869 /nfs/dbraw/zinc/25/78/69/292257869.db2.gz SKEBFXPDYKKTKD-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000269267304 403126689 /nfs/dbraw/zinc/12/66/89/403126689.db2.gz LDGLSUOHYFJLSK-ROUUACIJSA-N 1 3 315.461 2.142 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C[NH2+]CC1CC1 ZINC000269277991 403127703 /nfs/dbraw/zinc/12/77/03/403127703.db2.gz YPYZRGNLPCOLBS-CRAIPNDOSA-N 1 3 315.461 2.013 20 0 DEADHO COc1ccccc1C[C@@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282404352 403150196 /nfs/dbraw/zinc/15/01/96/403150196.db2.gz RTZFCUANULCCHO-MRXNPFEDSA-N 1 3 319.493 2.242 20 0 DEADHO CCN(C)C(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000276177986 403151687 /nfs/dbraw/zinc/15/16/87/403151687.db2.gz GIFPSVBKQHCOKL-MNZLEMJZSA-N 1 3 317.477 2.211 20 0 DEADHO CN1CCN(CC[NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1(C)C ZINC000282494940 403155501 /nfs/dbraw/zinc/15/55/01/403155501.db2.gz XSDXIYJWDMEYDW-QGZVFWFLSA-N 1 3 320.456 2.287 20 0 DEADHO C[NH+](C)C1CCN(CCN[C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000284004448 403238258 /nfs/dbraw/zinc/23/82/58/403238258.db2.gz HWWXULAXTBTRMD-LJQANCHMSA-N 1 3 317.477 2.385 20 0 DEADHO CCOCC[C@@H](O)CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000277657645 403242039 /nfs/dbraw/zinc/24/20/39/403242039.db2.gz IUJLVUXARQMVCC-RBUKOAKNSA-N 1 3 320.477 2.228 20 0 DEADHO CCOCC[C@@H](O)CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000277657645 403242043 /nfs/dbraw/zinc/24/20/43/403242043.db2.gz IUJLVUXARQMVCC-RBUKOAKNSA-N 1 3 320.477 2.228 20 0 DEADHO COc1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(OC)c1 ZINC000339071089 403343310 /nfs/dbraw/zinc/34/33/10/403343310.db2.gz PTNPECWXRIPOLR-HZPDHXFCSA-N 1 3 304.434 2.463 20 0 DEADHO COc1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(OC)c1 ZINC000339071089 403343312 /nfs/dbraw/zinc/34/33/12/403343312.db2.gz PTNPECWXRIPOLR-HZPDHXFCSA-N 1 3 304.434 2.463 20 0 DEADHO C[C@H](C[NH3+])C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000285862885 403398375 /nfs/dbraw/zinc/39/83/75/403398375.db2.gz ZDBOYQYAHRGEFR-INMHGKMJSA-N 1 3 303.450 2.093 20 0 DEADHO c1cc(N2CCC([NH2+]CCCOC[C@H]3CCCO3)CC2)ccn1 ZINC000298554186 403413226 /nfs/dbraw/zinc/41/32/26/403413226.db2.gz VDSPWIMAANJCAH-GOSISDBHSA-N 1 3 319.449 2.226 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H](CC3CC3)C2)CC1 ZINC000339680551 403415082 /nfs/dbraw/zinc/41/50/82/403415082.db2.gz WGNBLSSGTGLXBN-MRXNPFEDSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H](CCNC(=O)N[C@@H]1CCN(C)[C@H](C)C1)[NH+]1CCCCC1 ZINC000345691799 403439774 /nfs/dbraw/zinc/43/97/74/403439774.db2.gz KJRVUVXLAQSTAE-ARFHVFGLSA-N 1 3 310.486 2.033 20 0 DEADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCCN1C1CCCC1 ZINC000343079056 403455594 /nfs/dbraw/zinc/45/55/94/403455594.db2.gz NUHBWNITRVQUBG-QAPCUYQASA-N 1 3 319.493 2.384 20 0 DEADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCCCN1C1CCCC1 ZINC000343079056 403455599 /nfs/dbraw/zinc/45/55/99/403455599.db2.gz NUHBWNITRVQUBG-QAPCUYQASA-N 1 3 319.493 2.384 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000343431517 403587415 /nfs/dbraw/zinc/58/74/15/403587415.db2.gz GASYSUXPSQGPQI-DOPJRALCSA-N 1 3 311.429 2.344 20 0 DEADHO C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000340437068 403615458 /nfs/dbraw/zinc/61/54/58/403615458.db2.gz SDFJBRUFAWSGOP-HNNXBMFYSA-N 1 3 314.433 2.138 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)CCN1C ZINC000347213652 403624402 /nfs/dbraw/zinc/62/44/02/403624402.db2.gz KKVYRPDQOMSYQG-WBVHZDCISA-N 1 3 324.513 2.233 20 0 DEADHO O[C@@]1(C[NH2+]C2CCN(c3ccncc3)CC2)CCc2ccccc21 ZINC000294123006 403653542 /nfs/dbraw/zinc/65/35/42/403653542.db2.gz DXSFLTKLYIBLOJ-HXUWFJFHSA-N 1 3 323.440 2.474 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC000343598105 403656261 /nfs/dbraw/zinc/65/62/61/403656261.db2.gz HZZPXOMKBFNGRU-KRWDZBQOSA-N 1 3 303.450 2.352 20 0 DEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC000343598105 403656264 /nfs/dbraw/zinc/65/62/64/403656264.db2.gz HZZPXOMKBFNGRU-KRWDZBQOSA-N 1 3 303.450 2.352 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)N1CCCCC1 ZINC000343630484 403670159 /nfs/dbraw/zinc/67/01/59/403670159.db2.gz UGVVHRKCVIBEDH-FUHWJXTLSA-N 1 3 307.482 2.099 20 0 DEADHO CSc1ccc(OC[C@@H](O)C[NH2+]CC[C@H](C)N(C)C)cc1 ZINC001120583357 782006000 /nfs/dbraw/zinc/00/60/00/782006000.db2.gz VLCUIRUPRQHICV-KBPBESRZSA-N 1 3 312.479 2.078 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)CCN1C ZINC000340930483 403701870 /nfs/dbraw/zinc/70/18/70/403701870.db2.gz ACNIGTOAPKJPST-CVEARBPZSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)CCN1C ZINC000340930483 403701874 /nfs/dbraw/zinc/70/18/74/403701874.db2.gz ACNIGTOAPKJPST-CVEARBPZSA-N 1 3 324.513 2.423 20 0 DEADHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000333345624 403730624 /nfs/dbraw/zinc/73/06/24/403730624.db2.gz QLZRGMUEGMNHFD-WBMJQRKESA-N 1 3 302.422 2.140 20 0 DEADHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000333345624 403730625 /nfs/dbraw/zinc/73/06/25/403730625.db2.gz QLZRGMUEGMNHFD-WBMJQRKESA-N 1 3 302.422 2.140 20 0 DEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc2c(c1)CNC2 ZINC000347503263 403732622 /nfs/dbraw/zinc/73/26/22/403732622.db2.gz JKVQBOCFLLBHSI-ZNMIVQPWSA-N 1 3 315.461 2.386 20 0 DEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc2c(c1)CNC2 ZINC000347503263 403732626 /nfs/dbraw/zinc/73/26/26/403732626.db2.gz JKVQBOCFLLBHSI-ZNMIVQPWSA-N 1 3 315.461 2.386 20 0 DEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000341026876 403741650 /nfs/dbraw/zinc/74/16/50/403741650.db2.gz XNENMLHVOWGLRS-BQJWPVKWSA-N 1 3 324.513 2.135 20 0 DEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000341026876 403741654 /nfs/dbraw/zinc/74/16/54/403741654.db2.gz XNENMLHVOWGLRS-BQJWPVKWSA-N 1 3 324.513 2.135 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000341028759 403742598 /nfs/dbraw/zinc/74/25/98/403742598.db2.gz LEWJXXAYMRTRCF-VVLHAWIVSA-N 1 3 324.513 2.136 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000341028759 403742600 /nfs/dbraw/zinc/74/26/00/403742600.db2.gz LEWJXXAYMRTRCF-VVLHAWIVSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CC1CCN(C)CC1 ZINC000347534338 403744247 /nfs/dbraw/zinc/74/42/47/403744247.db2.gz XONLRBZJOCDDQO-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CC1CCN(C)CC1 ZINC000347534338 403744252 /nfs/dbraw/zinc/74/42/52/403744252.db2.gz XONLRBZJOCDDQO-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)ccc1-n1cncn1 ZINC000295081604 403753366 /nfs/dbraw/zinc/75/33/66/403753366.db2.gz SANPLUOMWIHUHC-ALOPSCKCSA-N 1 3 311.433 2.291 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)[C@@H](N)c1ccccc1 ZINC000295088676 403755647 /nfs/dbraw/zinc/75/56/47/403755647.db2.gz SWOPJYKNTZUPES-KCYZZUKISA-N 1 3 303.450 2.204 20 0 DEADHO C[C@@H]1CCC[C@](CNC(=O)N[C@@H]2CCCN(C)[C@@H]2C)([NH+](C)C)C1 ZINC000343850095 403758158 /nfs/dbraw/zinc/75/81/58/403758158.db2.gz KEYDNRBVEKBPPH-KONPQCLYSA-N 1 3 324.513 2.279 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000343855113 403760621 /nfs/dbraw/zinc/76/06/21/403760621.db2.gz XTNSCJRFXALLGS-ZACQAIPSSA-N 1 3 324.513 2.423 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000343855113 403760629 /nfs/dbraw/zinc/76/06/29/403760629.db2.gz XTNSCJRFXALLGS-ZACQAIPSSA-N 1 3 324.513 2.423 20 0 DEADHO C[NH2+]C[C@H](C)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000361719740 403821380 /nfs/dbraw/zinc/82/13/80/403821380.db2.gz UYNVDKSJCMJFSD-GZBFAFLISA-N 1 3 309.479 2.103 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CCN1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000351645247 403827213 /nfs/dbraw/zinc/82/72/13/403827213.db2.gz MIYTYKDDOVUTKK-IAGOWNOFSA-N 1 3 307.482 2.099 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CCN1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000351645247 403827216 /nfs/dbraw/zinc/82/72/16/403827216.db2.gz MIYTYKDDOVUTKK-IAGOWNOFSA-N 1 3 307.482 2.099 20 0 DEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCN2CCC(C)CC2)C[C@@H]1C ZINC000361733806 403830443 /nfs/dbraw/zinc/83/04/43/403830443.db2.gz CYUZVVJZIYGHRY-DLBZAZTESA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCCN2CCC(C)CC2)C[C@@H]1C ZINC000361733806 403830450 /nfs/dbraw/zinc/83/04/50/403830450.db2.gz CYUZVVJZIYGHRY-DLBZAZTESA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1CC1(C)C ZINC000341135967 403790674 /nfs/dbraw/zinc/79/06/74/403790674.db2.gz WHAJRSYLTQXOIP-CVEARBPZSA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1CC1(C)C ZINC000341135967 403790678 /nfs/dbraw/zinc/79/06/78/403790678.db2.gz WHAJRSYLTQXOIP-CVEARBPZSA-N 1 3 324.513 2.090 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000341149708 403797111 /nfs/dbraw/zinc/79/71/11/403797111.db2.gz XZWAQKRHOKXNNS-HZPDHXFCSA-N 1 3 312.502 2.280 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000341304563 403897742 /nfs/dbraw/zinc/89/77/42/403897742.db2.gz VEDOYJXTYBMOJU-ANQUJSFKSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[N@H+]1CCCC[C@H]1C ZINC000341304563 403897752 /nfs/dbraw/zinc/89/77/52/403897752.db2.gz VEDOYJXTYBMOJU-ANQUJSFKSA-N 1 3 322.497 2.031 20 0 DEADHO CC[C@@H]([NH3+])CNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000295302873 403843420 /nfs/dbraw/zinc/84/34/20/403843420.db2.gz VFRSSHQIURVEAM-MAUKXSAKSA-N 1 3 317.477 2.183 20 0 DEADHO C[C@@H]1CN(C(=O)N[C@H](C[NH3+])C2CCCCC2)CCN(C2CC2)C1 ZINC000333771921 403855015 /nfs/dbraw/zinc/85/50/15/403855015.db2.gz CCBNWICKLUDCEU-WMLDXEAASA-N 1 3 322.497 2.020 20 0 DEADHO CCO[C@H]1C[C@H](NCc2ccncc2OCC[NH+](C)C)C1(C)C ZINC000344026532 403856118 /nfs/dbraw/zinc/85/61/18/403856118.db2.gz GSGYUQHRJCSCAO-IRXDYDNUSA-N 1 3 321.465 2.315 20 0 DEADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCC3(O)CCOCC3)CC2)C1 ZINC000305171067 403860512 /nfs/dbraw/zinc/86/05/12/403860512.db2.gz ZTESFDDXIJPPNI-DOTOQJQBSA-N 1 3 310.482 2.161 20 0 DEADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]CC3(O)CCOCC3)CC2)C1 ZINC000305171067 403860520 /nfs/dbraw/zinc/86/05/20/403860520.db2.gz ZTESFDDXIJPPNI-DOTOQJQBSA-N 1 3 310.482 2.161 20 0 DEADHO CCC[N@H+](CCN1CCN(CC)CC1)C[C@@H]1CCO[C@@H](C)C1 ZINC000344174688 403956970 /nfs/dbraw/zinc/95/69/70/403956970.db2.gz WSOZBANOISLFFT-ZWKOTPCHSA-N 1 3 311.514 2.151 20 0 DEADHO CCC[N@@H+](CCN1CCN(CC)CC1)C[C@@H]1CCO[C@@H](C)C1 ZINC000344174688 403956976 /nfs/dbraw/zinc/95/69/76/403956976.db2.gz WSOZBANOISLFFT-ZWKOTPCHSA-N 1 3 311.514 2.151 20 0 DEADHO C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000351886443 403985814 /nfs/dbraw/zinc/98/58/14/403985814.db2.gz KEHDLYJYRZIPCP-CGTJXYLNSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1C[C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000344193596 403969262 /nfs/dbraw/zinc/96/92/62/403969262.db2.gz NSYBLHBALJYKIJ-NJAFHUGGSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1C[C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000344193596 403969267 /nfs/dbraw/zinc/96/92/67/403969267.db2.gz NSYBLHBALJYKIJ-NJAFHUGGSA-N 1 3 315.461 2.107 20 0 DEADHO CCC[N@@H+]1CC[C@@H](CN[C@H]2COc3ccc(OC)cc3C2)C1 ZINC000296126287 404106471 /nfs/dbraw/zinc/10/64/71/404106471.db2.gz VNVHXDGZAMUHMX-GOEBONIOSA-N 1 3 304.434 2.320 20 0 DEADHO CCC[N@H+]1CC[C@@H](CN[C@H]2COc3ccc(OC)cc3C2)C1 ZINC000296126287 404106473 /nfs/dbraw/zinc/10/64/73/404106473.db2.gz VNVHXDGZAMUHMX-GOEBONIOSA-N 1 3 304.434 2.320 20 0 DEADHO CCCN1CC[C@@H](C[NH2+][C@H]2COc3ccc(OC)cc3C2)C1 ZINC000296126287 404106474 /nfs/dbraw/zinc/10/64/74/404106474.db2.gz VNVHXDGZAMUHMX-GOEBONIOSA-N 1 3 304.434 2.320 20 0 DEADHO COCc1ccccc1/C=C(/C)C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000352211721 404216686 /nfs/dbraw/zinc/21/66/86/404216686.db2.gz LVEWCKOUIIKPBO-JVCXIRSZSA-N 1 3 318.461 2.283 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000355414089 404331628 /nfs/dbraw/zinc/33/16/28/404331628.db2.gz RTCJYYDSEGMDEI-IRXDYDNUSA-N 1 3 317.477 2.498 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000355414089 404331635 /nfs/dbraw/zinc/33/16/35/404331635.db2.gz RTCJYYDSEGMDEI-IRXDYDNUSA-N 1 3 317.477 2.498 20 0 DEADHO CC(C)[N@H+](C)CCNC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000338529909 404384156 /nfs/dbraw/zinc/38/41/56/404384156.db2.gz BLVHZBIVMFMTLF-UHFFFAOYSA-N 1 3 322.453 2.089 20 0 DEADHO CC(C)[N@@H+](C)CCNC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000338529909 404384162 /nfs/dbraw/zinc/38/41/62/404384162.db2.gz BLVHZBIVMFMTLF-UHFFFAOYSA-N 1 3 322.453 2.089 20 0 DEADHO C[C@H](c1ccccc1)[C@H](O)CNCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000567464999 292315576 /nfs/dbraw/zinc/31/55/76/292315576.db2.gz GUGZOJMYQWLAEL-ZHALLVOQSA-N 1 3 320.477 2.242 20 0 DEADHO C[C@H](c1ccccc1)[C@H](O)CNCCC[N@H+]1CCCO[C@H](C)C1 ZINC000567464999 292315577 /nfs/dbraw/zinc/31/55/77/292315577.db2.gz GUGZOJMYQWLAEL-ZHALLVOQSA-N 1 3 320.477 2.242 20 0 DEADHO CO[C@@H]1COC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000414192531 404544082 /nfs/dbraw/zinc/54/40/82/404544082.db2.gz VXRWHVOELHAYLW-QXCZDIPSSA-N 1 3 316.445 2.185 20 0 DEADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)N(C)Cc1ccccc1 ZINC000291869450 404559365 /nfs/dbraw/zinc/55/93/65/404559365.db2.gz HJGDAUGYBZVDDN-MRXNPFEDSA-N 1 3 317.477 2.355 20 0 DEADHO C[C@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000291915484 404578914 /nfs/dbraw/zinc/57/89/14/404578914.db2.gz RCNZLUGEGBFAGP-MAUKXSAKSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@H](c1ccccc1)N1CCCC1 ZINC000567490054 292318036 /nfs/dbraw/zinc/31/80/36/292318036.db2.gz GVGBYDUFMZWHAP-DSLXNQLJSA-N 1 3 317.477 2.165 20 0 DEADHO Cc1c(F)cccc1NC(=O)CCN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351482122 404596985 /nfs/dbraw/zinc/59/69/85/404596985.db2.gz YXWDGDUTCWRKRX-KCQAQPDRSA-N 1 3 305.397 2.132 20 0 DEADHO C[C@@H]([NH2+][C@@H](C)CCN(C)C)c1cccc(NS(C)(=O)=O)c1 ZINC000345199944 404608794 /nfs/dbraw/zinc/60/87/94/404608794.db2.gz GCHJYHQUTVYTAD-QWHCGFSZSA-N 1 3 313.467 2.049 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000352899743 404686716 /nfs/dbraw/zinc/68/67/16/404686716.db2.gz IFIOLWRCLUXIHP-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000352899743 404686718 /nfs/dbraw/zinc/68/67/18/404686718.db2.gz IFIOLWRCLUXIHP-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO OC[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1CCCOC1 ZINC000414537889 404671530 /nfs/dbraw/zinc/67/15/30/404671530.db2.gz ABSWUKZJABHOLE-CRAIPNDOSA-N 1 3 310.482 2.161 20 0 DEADHO OC[C@@H](NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCOC1 ZINC000414537889 404671533 /nfs/dbraw/zinc/67/15/33/404671533.db2.gz ABSWUKZJABHOLE-CRAIPNDOSA-N 1 3 310.482 2.161 20 0 DEADHO CC1CCC(O)(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000374422828 404706690 /nfs/dbraw/zinc/70/66/90/404706690.db2.gz SPKPYDOLKCZXLD-YZMJHREJSA-N 1 3 310.482 2.111 20 0 DEADHO FC(F)(F)Cn1cc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000414772031 404729744 /nfs/dbraw/zinc/72/97/44/404729744.db2.gz BCTXKTCHENTTAX-KBPBESRZSA-N 1 3 316.371 2.267 20 0 DEADHO Cc1ccc(CCC[N@@H+]2C[C@@H](CN)C3(C2)CCOCC3)cn1 ZINC000414779543 404732354 /nfs/dbraw/zinc/73/23/54/404732354.db2.gz KJGPCVJWVFPPLJ-QGZVFWFLSA-N 1 3 303.450 2.010 20 0 DEADHO Cc1ccc(CCC[N@H+]2C[C@@H](CN)C3(C2)CCOCC3)cn1 ZINC000414779543 404732358 /nfs/dbraw/zinc/73/23/58/404732358.db2.gz KJGPCVJWVFPPLJ-QGZVFWFLSA-N 1 3 303.450 2.010 20 0 DEADHO CCOc1cccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000414791069 404737140 /nfs/dbraw/zinc/73/71/40/404737140.db2.gz QDPROXSBELLSAJ-MSOLQXFVSA-N 1 3 304.434 2.414 20 0 DEADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@@H](C[NH3+])C1CC1 ZINC000414806494 404739444 /nfs/dbraw/zinc/73/94/44/404739444.db2.gz QLTIWOLZVXXOLE-LRDDRELGSA-N 1 3 323.868 2.404 20 0 DEADHO CCCC[C@@H](N)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000353090748 404740366 /nfs/dbraw/zinc/74/03/66/404740366.db2.gz UEENPWBTYYWULV-QGZVFWFLSA-N 1 3 303.450 2.416 20 0 DEADHO C[C@H](CN)C[NH2+][C@H](C)CCCCN1C(=O)c2ccccc2C1=O ZINC000414876341 404754937 /nfs/dbraw/zinc/75/49/37/404754937.db2.gz LFJFULQSYDGHEZ-ZIAGYGMSSA-N 1 3 317.433 2.026 20 0 DEADHO COc1cc2c(cc1CNCC1(C)CC[NH+](C)CC1)OCO2 ZINC000353172636 404761050 /nfs/dbraw/zinc/76/10/50/404761050.db2.gz LSAADARWQOLRMA-UHFFFAOYSA-N 1 3 306.406 2.245 20 0 DEADHO Cc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCCN(C(=O)CN)C2)s1 ZINC000414696351 404710593 /nfs/dbraw/zinc/71/05/93/404710593.db2.gz PGGQMGFMKSSIJF-CABCVRRESA-N 1 3 321.490 2.391 20 0 DEADHO Cc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCCN(C(=O)CN)C2)s1 ZINC000414696351 404710596 /nfs/dbraw/zinc/71/05/96/404710596.db2.gz PGGQMGFMKSSIJF-CABCVRRESA-N 1 3 321.490 2.391 20 0 DEADHO COC(=O)c1ccc2c(c1)CN(C[C@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC000414705651 404712244 /nfs/dbraw/zinc/71/22/44/404712244.db2.gz FVGFULXBUNMBCV-KBPBESRZSA-N 1 3 302.418 2.219 20 0 DEADHO CC(C)(C)[C@@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414717193 404715950 /nfs/dbraw/zinc/71/59/50/404715950.db2.gz XVIHKKMXYVDZNX-JKSUJKDBSA-N 1 3 309.498 2.332 20 0 DEADHO CC(C)(C)[C@@H]1CCC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414717193 404715954 /nfs/dbraw/zinc/71/59/54/404715954.db2.gz XVIHKKMXYVDZNX-JKSUJKDBSA-N 1 3 309.498 2.332 20 0 DEADHO C[C@H]1C[C@@H](CN2CCN(C(=O)NC3CCCCC3)CC2)CC[NH2+]1 ZINC000414738506 404720648 /nfs/dbraw/zinc/72/06/48/404720648.db2.gz PCQNTIDMKYGCPK-HOTGVXAUSA-N 1 3 322.497 2.034 20 0 DEADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@@H](O)CN1CCCC1 ZINC000353227157 404775875 /nfs/dbraw/zinc/77/58/75/404775875.db2.gz AMFQIPCMWPWAQL-KDOFPFPSSA-N 1 3 318.461 2.464 20 0 DEADHO c1cnn(CCN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000377338592 404836575 /nfs/dbraw/zinc/83/65/75/404836575.db2.gz ZILWHRMQBIKWGJ-MOPGFXCFSA-N 1 3 310.445 2.337 20 0 DEADHO c1cnn(CCN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000377338592 404836578 /nfs/dbraw/zinc/83/65/78/404836578.db2.gz ZILWHRMQBIKWGJ-MOPGFXCFSA-N 1 3 310.445 2.337 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCN(C2CC2)C1)CC(C)C ZINC000359220319 404787356 /nfs/dbraw/zinc/78/73/56/404787356.db2.gz GPBVOKPYYAIJRQ-WBVHZDCISA-N 1 3 324.513 2.279 20 0 DEADHO Cc1cc(N2CCC(NCC[NH2+]C(C)(C)C)CC2)nc(C)n1 ZINC000415097338 404806826 /nfs/dbraw/zinc/80/68/26/404806826.db2.gz CVUMTTHIAXVXHG-UHFFFAOYSA-N 1 3 305.470 2.040 20 0 DEADHO Cc1cc(N2CCC([NH2+]CCNC(C)(C)C)CC2)nc(C)n1 ZINC000415097338 404806829 /nfs/dbraw/zinc/80/68/29/404806829.db2.gz CVUMTTHIAXVXHG-UHFFFAOYSA-N 1 3 305.470 2.040 20 0 DEADHO CC(C)[NH+]1CCC(N[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000376145694 404808768 /nfs/dbraw/zinc/80/87/68/404808768.db2.gz URBOPQGFYMSKDU-KRWDZBQOSA-N 1 3 322.497 2.129 20 0 DEADHO Cc1ccc(C[C@H](CO)N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000415108297 404810219 /nfs/dbraw/zinc/81/02/19/404810219.db2.gz PVLLNVCXOGJMHY-AKHDSKFASA-N 1 3 302.462 2.409 20 0 DEADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3cccc4c3NCC4)CC2)C1 ZINC000415128303 404813703 /nfs/dbraw/zinc/81/37/03/404813703.db2.gz SEXNBPAPBJWZLR-QZTJIDSGSA-N 1 3 315.461 2.373 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)CCN1C ZINC000360260152 404823610 /nfs/dbraw/zinc/82/36/10/404823610.db2.gz CRJJKQFLMXTUCF-YOEHRIQHSA-N 1 3 318.465 2.030 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000353455881 404835046 /nfs/dbraw/zinc/83/50/46/404835046.db2.gz YQVCTUOJAKAQEI-IRXDYDNUSA-N 1 3 307.482 2.099 20 0 DEADHO COC[C@]1(C[NH2+][C@@H](C)CCc2n[nH]c3ccccc32)CCCN1 ZINC000414948208 404773418 /nfs/dbraw/zinc/77/34/18/404773418.db2.gz WVPAFPATXKSVLS-KBXCAEBGSA-N 1 3 316.449 2.242 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000415567261 404885600 /nfs/dbraw/zinc/88/56/00/404885600.db2.gz JNQDMOKXNDKJEK-QGZVFWFLSA-N 1 3 318.465 2.430 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+][C@@H](C)C[C@H](C)O)CC1 ZINC000361030493 404886363 /nfs/dbraw/zinc/88/63/63/404886363.db2.gz UMQQRIATPZULSV-HOTGVXAUSA-N 1 3 305.466 2.078 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000415579466 404888521 /nfs/dbraw/zinc/88/85/21/404888521.db2.gz QHBLTJJOANOOOE-QGZVFWFLSA-N 1 3 304.438 2.040 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000423849649 404889657 /nfs/dbraw/zinc/88/96/57/404889657.db2.gz SBHOOJAXOVEXHX-SZVBFZGTSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@@H]1CC([NH2+]CC(=O)NCCN2CCCCCC2)C[C@@H](C)C1 ZINC000353673106 404913726 /nfs/dbraw/zinc/91/37/26/404913726.db2.gz RDNNMDLIEZDGFX-HOTGVXAUSA-N 1 3 309.498 2.393 20 0 DEADHO CN(C)[C@H](CNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000416797849 404915062 /nfs/dbraw/zinc/91/50/62/404915062.db2.gz BOHFRSRQIFRIPA-BHYGNILZSA-N 1 3 318.465 2.106 20 0 DEADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000416816916 404922576 /nfs/dbraw/zinc/92/25/76/404922576.db2.gz XQNGWKJHEKZNTR-HZPDHXFCSA-N 1 3 306.454 2.106 20 0 DEADHO C[C@H](CCCC[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000416843252 404931913 /nfs/dbraw/zinc/93/19/13/404931913.db2.gz OIUDAUNLSKINPU-NVXWUHKLSA-N 1 3 318.465 2.078 20 0 DEADHO CSC1(CNCc2cn(C)nc2C(F)F)CC[NH+](C)CC1 ZINC000361141586 404941540 /nfs/dbraw/zinc/94/15/40/404941540.db2.gz JQDJAUYEOMYDDE-UHFFFAOYSA-N 1 3 318.437 2.275 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccc(CN(C)C)cc1 ZINC000416880836 404948128 /nfs/dbraw/zinc/94/81/28/404948128.db2.gz GUEDASNPAGJYEM-WMLDXEAASA-N 1 3 318.465 2.160 20 0 DEADHO C[NH2+]CCC1CCN(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)CC1 ZINC000417015898 405002696 /nfs/dbraw/zinc/00/26/96/405002696.db2.gz NFVRYNBWTSQSSL-HZPDHXFCSA-N 1 3 324.513 2.138 20 0 DEADHO O=C(C[NH2+][C@H]1CCC12CCCC2)NC1CCN(C2CC2)CC1 ZINC000451454621 405004521 /nfs/dbraw/zinc/00/45/21/405004521.db2.gz JAXCHFLDFQXULJ-INIZCTEOSA-N 1 3 305.466 2.042 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ncccc1CN ZINC000416035960 405011083 /nfs/dbraw/zinc/01/10/83/405011083.db2.gz XCVWXUYHGRLYMX-HNNXBMFYSA-N 1 3 319.453 2.172 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)Nc1ncccc1CN ZINC000416035960 405011086 /nfs/dbraw/zinc/01/10/86/405011086.db2.gz XCVWXUYHGRLYMX-HNNXBMFYSA-N 1 3 319.453 2.172 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000379667626 405028425 /nfs/dbraw/zinc/02/84/25/405028425.db2.gz BSWDPLZRQNVQBW-JOCBIADPSA-N 1 3 315.461 2.011 20 0 DEADHO C[NH2+]CCCN(C)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000424016677 404973000 /nfs/dbraw/zinc/97/30/00/404973000.db2.gz DBPLLWMQUFNCKE-MRXNPFEDSA-N 1 3 321.440 2.106 20 0 DEADHO CCN1CCC(NC(=O)N[C@H](C)C[NH+]2CCCCCC2)CC1 ZINC000361220924 404979879 /nfs/dbraw/zinc/97/98/79/404979879.db2.gz PDPVIPXHUNIBDX-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415967519 404986959 /nfs/dbraw/zinc/98/69/59/404986959.db2.gz CZQSEPPQVSDQPD-ZDUSSCGKSA-N 1 3 320.437 2.019 20 0 DEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415967519 404986968 /nfs/dbraw/zinc/98/69/68/404986968.db2.gz CZQSEPPQVSDQPD-ZDUSSCGKSA-N 1 3 320.437 2.019 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000417012712 405001252 /nfs/dbraw/zinc/00/12/52/405001252.db2.gz AXFZCMMWWXCOJQ-MRXNPFEDSA-N 1 3 318.465 2.031 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C)cc(CN)c2)C1 ZINC000424442716 405096375 /nfs/dbraw/zinc/09/63/75/405096375.db2.gz YUWHYMHJZGRJTM-AWEZNQCLSA-N 1 3 304.438 2.259 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C)cc(CN)c2)C1 ZINC000424442716 405096381 /nfs/dbraw/zinc/09/63/81/405096381.db2.gz YUWHYMHJZGRJTM-AWEZNQCLSA-N 1 3 304.438 2.259 20 0 DEADHO CCCCN(CCCC)C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000389717730 405039858 /nfs/dbraw/zinc/03/98/58/405039858.db2.gz OCUSCCWFKCUFQM-CALCHBBNSA-N 1 3 309.498 2.347 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C1(C[NH3+])CCCC1 ZINC000389943794 405040645 /nfs/dbraw/zinc/04/06/45/405040645.db2.gz PRDFQGIXUVFKJV-NVXWUHKLSA-N 1 3 315.461 2.142 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000389928268 405040932 /nfs/dbraw/zinc/04/09/32/405040932.db2.gz YDAMDJSULFQBHE-DNVCBOLYSA-N 1 3 323.440 2.396 20 0 DEADHO CC(C)[NH2+]CCC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000389895078 405041083 /nfs/dbraw/zinc/04/10/83/405041083.db2.gz YGKVQCDZMOAZOK-WBVHZDCISA-N 1 3 303.450 2.011 20 0 DEADHO [NH3+]C[C@H](CN1CCC(c2c[nH]cn2)CC1)c1ccc(F)cc1 ZINC000424274865 405054332 /nfs/dbraw/zinc/05/43/32/405054332.db2.gz AKYKNVCXUOEULX-OAHLLOKOSA-N 1 3 302.397 2.471 20 0 DEADHO NC[C@H](C[NH+]1CCC(c2c[nH]cn2)CC1)c1ccc(F)cc1 ZINC000424274865 405054336 /nfs/dbraw/zinc/05/43/36/405054336.db2.gz AKYKNVCXUOEULX-OAHLLOKOSA-N 1 3 302.397 2.471 20 0 DEADHO C[C@@H](NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424285561 405057554 /nfs/dbraw/zinc/05/75/54/405057554.db2.gz FUGITNUGFPYQMT-JKSUJKDBSA-N 1 3 315.461 2.328 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000354142054 405065088 /nfs/dbraw/zinc/06/50/88/405065088.db2.gz GMYIJQKDXZZEBP-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO CC[NH2+][C@H](C)CNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000417221454 405066531 /nfs/dbraw/zinc/06/65/31/405066531.db2.gz NNBPRLUUSPEJHY-BFYDXBDKSA-N 1 3 318.465 2.119 20 0 DEADHO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424339430 405073292 /nfs/dbraw/zinc/07/32/92/405073292.db2.gz VWNCWLCIKXAPKM-RBSFLKMASA-N 1 3 321.490 2.443 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000417531859 405090011 /nfs/dbraw/zinc/09/00/11/405090011.db2.gz JUKGFUIMAVLLMK-QKPAOTATSA-N 1 3 310.486 2.066 20 0 DEADHO CC(C)C[C@H](C[NH3+])NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000418443720 405127594 /nfs/dbraw/zinc/12/75/94/405127594.db2.gz NRCMKSVEIQXBPQ-QGZVFWFLSA-N 1 3 324.513 2.267 20 0 DEADHO C[C@@H](NC(=O)N1C[C@@H](C)NC[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417997592 405108179 /nfs/dbraw/zinc/10/81/79/405108179.db2.gz SDQVBBKSDLQBDW-QKPAOTATSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@@H](NC(=O)N1C[C@@H](C)NC[C@@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000417997592 405108184 /nfs/dbraw/zinc/10/81/84/405108184.db2.gz SDQVBBKSDLQBDW-QKPAOTATSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@H](CC[NH3+])NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418538733 405132651 /nfs/dbraw/zinc/13/26/51/405132651.db2.gz FGCSDCBHTZEISB-WBVHZDCISA-N 1 3 318.465 2.030 20 0 DEADHO C[NH2+]C[C@@H](C)CNC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000418163711 405115108 /nfs/dbraw/zinc/11/51/08/405115108.db2.gz HDQSQQFBAZSVQG-MRXNPFEDSA-N 1 3 324.513 2.187 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000418192770 405115757 /nfs/dbraw/zinc/11/57/57/405115757.db2.gz MVFFZBANPLGBRE-INMHGKMJSA-N 1 3 318.465 2.076 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000418239162 405118478 /nfs/dbraw/zinc/11/84/78/405118478.db2.gz PWKZXYVFUOKTNH-ULQDDVLXSA-N 1 3 324.513 2.266 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)N(C)C2CC[NH2+]CC2)cc1 ZINC000418349038 405123925 /nfs/dbraw/zinc/12/39/25/405123925.db2.gz JWCIDHZBOZGOJY-KRWDZBQOSA-N 1 3 318.465 2.203 20 0 DEADHO C[C@@H]1CCCC[C@@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000424629282 405133133 /nfs/dbraw/zinc/13/31/33/405133133.db2.gz OILHPMAYOHLXSK-QAPCUYQASA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN(CC2CC2)C2CCC2)CC1 ZINC000361570652 405135680 /nfs/dbraw/zinc/13/56/80/405135680.db2.gz DUYBEFUQYWXVNM-UHFFFAOYSA-N 1 3 307.482 2.240 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CC[C@@H](CC(C)(C)C)C2)CC1 ZINC000452079777 405155784 /nfs/dbraw/zinc/15/57/84/405155784.db2.gz NTIMXNFJSJCUHM-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000418688173 405167236 /nfs/dbraw/zinc/16/72/36/405167236.db2.gz ATHKEDPSLWWHQR-RDJZCZTQSA-N 1 3 318.465 2.030 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418718632 405178828 /nfs/dbraw/zinc/17/88/28/405178828.db2.gz HVPZYAFRNQUXKE-IRXDYDNUSA-N 1 3 318.465 2.030 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000418715901 405179290 /nfs/dbraw/zinc/17/92/90/405179290.db2.gz RRFWBPSTUPCWAI-INIZCTEOSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@@H](CCC[NH3+])NC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000418691178 405168388 /nfs/dbraw/zinc/16/83/88/405168388.db2.gz QMJZZXLUAHYDIA-HNNXBMFYSA-N 1 3 320.481 2.324 20 0 DEADHO C[C@@H](CCCC[NH3+])NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000418692656 405169072 /nfs/dbraw/zinc/16/90/72/405169072.db2.gz IRAIQYMMTKMTCA-CABCVRRESA-N 1 3 310.486 2.020 20 0 DEADHO CC[C@@H]([NH3+])CNC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000418699182 405172020 /nfs/dbraw/zinc/17/20/20/405172020.db2.gz NWGAERTVBWVBCA-AQFXKWCLSA-N 1 3 324.513 2.266 20 0 DEADHO OC1CCN(Cc2ccc(C[NH2+]CC[C@H]3CCOC3)cc2)CC1 ZINC000438085834 405230761 /nfs/dbraw/zinc/23/07/61/405230761.db2.gz QCWIVXUWFBTNSE-SFHVURJKSA-N 1 3 318.461 2.160 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000438866436 405256874 /nfs/dbraw/zinc/25/68/74/405256874.db2.gz OWCZJICUAFZHDR-DOTOQJQBSA-N 1 3 322.497 2.033 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000438866436 405256878 /nfs/dbraw/zinc/25/68/78/405256878.db2.gz OWCZJICUAFZHDR-DOTOQJQBSA-N 1 3 322.497 2.033 20 0 DEADHO CCC[N@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)C[C@@H]1CCCCO1 ZINC000420298203 405310208 /nfs/dbraw/zinc/31/02/08/405310208.db2.gz GZWWXZGMQJCAMI-FHWLQOOXSA-N 1 3 320.477 2.198 20 0 DEADHO CCC[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)C[C@@H]1CCCCO1 ZINC000420298203 405310210 /nfs/dbraw/zinc/31/02/10/405310210.db2.gz GZWWXZGMQJCAMI-FHWLQOOXSA-N 1 3 320.477 2.198 20 0 DEADHO CCCN(C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C[C@@H]1CCCCO1 ZINC000420298203 405310211 /nfs/dbraw/zinc/31/02/11/405310211.db2.gz GZWWXZGMQJCAMI-FHWLQOOXSA-N 1 3 320.477 2.198 20 0 DEADHO CSc1ccccc1CN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000420309477 405314660 /nfs/dbraw/zinc/31/46/60/405314660.db2.gz LMJZAJYLZVNPLG-HNNXBMFYSA-N 1 3 321.490 2.228 20 0 DEADHO CCN(CCOCC(F)(F)C(F)F)[C@H]1CCC[NH2+]CC1 ZINC000420320252 405317841 /nfs/dbraw/zinc/31/78/41/405317841.db2.gz YRWYEQHVYIZCMT-NSHDSACASA-N 1 3 300.340 2.367 20 0 DEADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCCCC(F)(F)F ZINC000420320279 405317924 /nfs/dbraw/zinc/31/79/24/405317924.db2.gz YSLFYNVVPOERRM-GFCCVEGCSA-N 1 3 309.376 2.039 20 0 DEADHO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329430 405321571 /nfs/dbraw/zinc/32/15/71/405321571.db2.gz GTIJFMXNVAWXBS-ZXXIGWHRSA-N 1 3 321.509 2.247 20 0 DEADHO NC[C@H]1C[N@H+](C[C@@H]2CCCC(F)(F)C2)CC12CCOCC2 ZINC000420334284 405323738 /nfs/dbraw/zinc/32/37/38/405323738.db2.gz UDEAJKXRFAILCU-KGLIPLIRSA-N 1 3 302.409 2.499 20 0 DEADHO NC[C@H]1C[N@@H+](C[C@@H]2CCCC(F)(F)C2)CC12CCOCC2 ZINC000420334284 405323740 /nfs/dbraw/zinc/32/37/40/405323740.db2.gz UDEAJKXRFAILCU-KGLIPLIRSA-N 1 3 302.409 2.499 20 0 DEADHO NC[C@@H]1C[N@H+](CCCCC2CCOCC2)CC12CCOCC2 ZINC000420337083 405324337 /nfs/dbraw/zinc/32/43/37/405324337.db2.gz WJNIMWIQHUZOPK-QGZVFWFLSA-N 1 3 310.482 2.271 20 0 DEADHO NC[C@@H]1C[N@@H+](CCCCC2CCOCC2)CC12CCOCC2 ZINC000420337083 405324339 /nfs/dbraw/zinc/32/43/39/405324339.db2.gz WJNIMWIQHUZOPK-QGZVFWFLSA-N 1 3 310.482 2.271 20 0 DEADHO C[C@H](C(=O)NCc1ccccc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420339040 405325059 /nfs/dbraw/zinc/32/50/59/405325059.db2.gz LPHHCXGBLQUTMD-BPQIPLTHSA-N 1 3 315.461 2.013 20 0 DEADHO CN(CC1CCCCC1)C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420339993 405325176 /nfs/dbraw/zinc/32/51/76/405325176.db2.gz ZOUFQRLOMRNQQO-ROUUACIJSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@@H](c1nc(-c2cccnc2)no1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420345048 405327262 /nfs/dbraw/zinc/32/72/62/405327262.db2.gz UYFIPWIHFGTGPN-MELADBBJSA-N 1 3 313.405 2.124 20 0 DEADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420345133 405327273 /nfs/dbraw/zinc/32/72/73/405327273.db2.gz VISUUUBBFPCOPN-MWDXBVQZSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1c(F)cccc1NC(=O)CCN[C@@H]1CC[NH2+]CC1(C)C ZINC000420352508 405328940 /nfs/dbraw/zinc/32/89/40/405328940.db2.gz AMDKFEQUGAJGEI-OAHLLOKOSA-N 1 3 307.413 2.440 20 0 DEADHO Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H]1CCNCC1(C)C ZINC000420352508 405328942 /nfs/dbraw/zinc/32/89/42/405328942.db2.gz AMDKFEQUGAJGEI-OAHLLOKOSA-N 1 3 307.413 2.440 20 0 DEADHO COc1cccc(NC(=O)CCN[C@@H]2CC[NH2+]CC2(C)C)c1 ZINC000420372077 405336404 /nfs/dbraw/zinc/33/64/04/405336404.db2.gz XXOGUJYQVAMUOR-OAHLLOKOSA-N 1 3 305.422 2.002 20 0 DEADHO COc1cccc(NC(=O)CC[NH2+][C@@H]2CCNCC2(C)C)c1 ZINC000420372077 405336406 /nfs/dbraw/zinc/33/64/06/405336406.db2.gz XXOGUJYQVAMUOR-OAHLLOKOSA-N 1 3 305.422 2.002 20 0 DEADHO O=C(CCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccccc1 ZINC000420385763 405340130 /nfs/dbraw/zinc/34/01/30/405340130.db2.gz FHQORBSEFZZMRZ-DOTOQJQBSA-N 1 3 301.434 2.479 20 0 DEADHO [NH3+]CCNC(=O)[C@@H]1CCCN([C@@H]2CCc3c2cccc3Cl)C1 ZINC000420284030 405307016 /nfs/dbraw/zinc/30/70/16/405307016.db2.gz CHDUNKIFJAPBOV-MLGOLLRUSA-N 1 3 321.852 2.114 20 0 DEADHO C[NH+](C)CCCC1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000426916823 405383520 /nfs/dbraw/zinc/38/35/20/405383520.db2.gz QTWKWWXKNKPOJG-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CCC([N@@H+]2CCCN(Cc3scnc3C)CC2)CC1 ZINC000420984723 405421217 /nfs/dbraw/zinc/42/12/17/405421217.db2.gz UNDHUOHZCKPBAM-UHFFFAOYSA-N 1 3 322.522 2.444 20 0 DEADHO CCN1CCC([N@H+]2CCCN(Cc3scnc3C)CC2)CC1 ZINC000420984723 405421218 /nfs/dbraw/zinc/42/12/18/405421218.db2.gz UNDHUOHZCKPBAM-UHFFFAOYSA-N 1 3 322.522 2.444 20 0 DEADHO CC[NH+]1CCC(N2CCCN(CCC(F)(F)F)CC2)CC1 ZINC000420987094 405421394 /nfs/dbraw/zinc/42/13/94/405421394.db2.gz ZWMNPALOAKUJKV-UHFFFAOYSA-N 1 3 307.404 2.431 20 0 DEADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CC[C@H]2CCC[C@H]21)c1ccccc1 ZINC000426455708 405361273 /nfs/dbraw/zinc/36/12/73/405361273.db2.gz BSWSXHIKNYOHIS-KZNAEPCWSA-N 1 3 315.461 2.280 20 0 DEADHO CN(C)[C@H](CNC(=O)C[N@H+]1CC[C@H]2CCC[C@H]21)c1ccccc1 ZINC000426455708 405361275 /nfs/dbraw/zinc/36/12/75/405361275.db2.gz BSWSXHIKNYOHIS-KZNAEPCWSA-N 1 3 315.461 2.280 20 0 DEADHO C[C@H]1[C@@H](NC(=O)NCCCCC[NH+]2CCCC2)CCCN1C ZINC000454797565 405377310 /nfs/dbraw/zinc/37/73/10/405377310.db2.gz XWYGBSXJDRVMIT-HOTGVXAUSA-N 1 3 310.486 2.034 20 0 DEADHO CCN(Cc1ccc(C(=O)N2CCC[C@@H]2C[NH2+]C)cc1)C1CC1 ZINC000429520720 405433942 /nfs/dbraw/zinc/43/39/42/405433942.db2.gz LXMGOXMLEDXOBP-GOSISDBHSA-N 1 3 315.461 2.495 20 0 DEADHO CC[NH2+]CC1CCN([C@H](C)C(=O)NCc2ccccc2C)CC1 ZINC000430554553 405456282 /nfs/dbraw/zinc/45/62/82/405456282.db2.gz VVNBBLNEARCBGT-MRXNPFEDSA-N 1 3 317.477 2.321 20 0 DEADHO C[C@@H]([NH3+])[C@H]1CCCN(CCc2nc(-c3ccccc3)no2)C1 ZINC000430564253 405458194 /nfs/dbraw/zinc/45/81/94/405458194.db2.gz LCOCIMIZZOGCFK-HIFRSBDPSA-N 1 3 300.406 2.338 20 0 DEADHO C[C@H]1CCC[N@H+](CCc2nc(-c3ccccc3)no2)[C@@H]1CN ZINC000430563819 405458535 /nfs/dbraw/zinc/45/85/35/405458535.db2.gz KFBDTWYVQAYIIB-DZGCQCFKSA-N 1 3 300.406 2.338 20 0 DEADHO C[C@H]1CCC[N@@H+](CCc2nc(-c3ccccc3)no2)[C@@H]1CN ZINC000430563819 405458536 /nfs/dbraw/zinc/45/85/36/405458536.db2.gz KFBDTWYVQAYIIB-DZGCQCFKSA-N 1 3 300.406 2.338 20 0 DEADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)NCc2ccc(C)cc2)CC1 ZINC000430566755 405458590 /nfs/dbraw/zinc/45/85/90/405458590.db2.gz SRTJUOMCEZRNAZ-INIZCTEOSA-N 1 3 317.477 2.321 20 0 DEADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CCN1C1CCCC1 ZINC000635747794 405471088 /nfs/dbraw/zinc/47/10/88/405471088.db2.gz XFKYMGWIYRFXIU-RHSMWYFYSA-N 1 3 307.482 2.192 20 0 DEADHO Cn1ncc(Br)c1CNC1CCC([NH+](C)C)CC1 ZINC000421371584 405479021 /nfs/dbraw/zinc/47/90/21/405479021.db2.gz LDTKPBBBVHWFMB-UHFFFAOYSA-N 1 3 315.259 2.145 20 0 DEADHO OC1CC(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C1 ZINC000528019930 405480281 /nfs/dbraw/zinc/48/02/81/405480281.db2.gz VQCMUCVARJVDNM-HFOXXNMBSA-N 1 3 300.446 2.258 20 0 DEADHO Cc1cc(CNC2CC[NH+](C3CCN(C)CC3)CC2)sn1 ZINC000638459951 405484245 /nfs/dbraw/zinc/48/42/45/405484245.db2.gz OCABRHNSOXFTIX-UHFFFAOYSA-N 1 3 308.495 2.100 20 0 DEADHO C[C@H](CNC(=O)[C@@H](CN)c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000430749785 405503021 /nfs/dbraw/zinc/50/30/21/405503021.db2.gz XIWPMTSYRDBXOZ-INMHGKMJSA-N 1 3 303.450 2.108 20 0 DEADHO C[C@H](CNC(=O)[C@@H](CN)c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000430749785 405503025 /nfs/dbraw/zinc/50/30/25/405503025.db2.gz XIWPMTSYRDBXOZ-INMHGKMJSA-N 1 3 303.450 2.108 20 0 DEADHO C[C@H](CC[NH+](C)C)NC[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000577842176 405524830 /nfs/dbraw/zinc/52/48/30/405524830.db2.gz LPOLJQMEZOXMON-SUMDDJOVSA-N 1 3 320.477 2.371 20 0 DEADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]CCCN1CCCC1=O ZINC000556764765 405525610 /nfs/dbraw/zinc/52/56/10/405525610.db2.gz DLXPCMWJHLSPKC-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC([C@H](C)[NH3+])CC1 ZINC000430928843 405531768 /nfs/dbraw/zinc/53/17/68/405531768.db2.gz VAPBRYZQXFSRMX-HOTGVXAUSA-N 1 3 317.477 2.401 20 0 DEADHO C[C@@H]([NH3+])C1CCN([C@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000430936561 405534611 /nfs/dbraw/zinc/53/46/11/405534611.db2.gz ZPPKGUIOVKFIEQ-HUUCEWRRSA-N 1 3 303.450 2.093 20 0 DEADHO [NH3+]C[C@@H]1CCN(CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000430944865 405540676 /nfs/dbraw/zinc/54/06/76/405540676.db2.gz VFHALXHBWNFMOX-NSHDSACASA-N 1 3 306.797 2.213 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H](C)CCCO)CC1 ZINC000449407043 405548742 /nfs/dbraw/zinc/54/87/42/405548742.db2.gz DUOOJYPMMCYYJI-KRWDZBQOSA-N 1 3 319.493 2.327 20 0 DEADHO Cc1ccc(-c2noc(CCC[N@@H+](C)[C@@H](C)CN)n2)cc1F ZINC000430971893 405554061 /nfs/dbraw/zinc/55/40/61/405554061.db2.gz NEDZKZKDRWDOKJ-LBPRGKRZSA-N 1 3 306.385 2.396 20 0 DEADHO Cc1ccc(-c2noc(CCC[N@H+](C)[C@@H](C)CN)n2)cc1F ZINC000430971893 405554064 /nfs/dbraw/zinc/55/40/64/405554064.db2.gz NEDZKZKDRWDOKJ-LBPRGKRZSA-N 1 3 306.385 2.396 20 0 DEADHO CC[C@@H]([NH2+]Cc1ccccc1N(C)C1CCN(C)CC1)[C@@H](C)O ZINC000449542590 405606181 /nfs/dbraw/zinc/60/61/81/405606181.db2.gz MWENOBOQXSDXOX-CRAIPNDOSA-N 1 3 319.493 2.466 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@]12C[C@H]1CCC2 ZINC000421755076 405629556 /nfs/dbraw/zinc/62/95/56/405629556.db2.gz DQFQTSXVTWFQMJ-JFIYKMOQSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@]12C[C@H]1CCC2 ZINC000421755076 405629565 /nfs/dbraw/zinc/62/95/65/405629565.db2.gz DQFQTSXVTWFQMJ-JFIYKMOQSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NCCCCC[NH+]1CCCC1 ZINC000458862712 405631418 /nfs/dbraw/zinc/63/14/18/405631418.db2.gz XXIUNNQHPYFWFS-UHFFFAOYSA-N 1 3 312.502 2.234 20 0 DEADHO CC(C)[NH2+]CCCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000580053600 405573357 /nfs/dbraw/zinc/57/33/57/405573357.db2.gz XLYQJNXINNDSQU-UHFFFAOYSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@H](CCN[C@@H]1CCO[C@@H]1C1CC1)[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000580161213 405595090 /nfs/dbraw/zinc/59/50/90/405595090.db2.gz FDEIKFGGQSXPQC-YXWSMURKSA-N 1 3 308.466 2.079 20 0 DEADHO C[C@H](CC[NH2+][C@@H]1CCO[C@@H]1C1CC1)N[C@@H]1CCO[C@H]1C1CC1 ZINC000580161213 405595099 /nfs/dbraw/zinc/59/50/99/405595099.db2.gz FDEIKFGGQSXPQC-YXWSMURKSA-N 1 3 308.466 2.079 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431524809 405638350 /nfs/dbraw/zinc/63/83/50/405638350.db2.gz RCILLHHXWFELBG-IAGOWNOFSA-N 1 3 303.450 2.280 20 0 DEADHO CN(C)[C@H](CC(=O)NCC(C)(C)C[NH+](C)C)c1ccccc1 ZINC000431564402 405643546 /nfs/dbraw/zinc/64/35/46/405643546.db2.gz HVRFEPYHQAHDLU-MRXNPFEDSA-N 1 3 305.466 2.383 20 0 DEADHO CCc1ccc([C@H](CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])N(C)C)cc1 ZINC000422733277 405678970 /nfs/dbraw/zinc/67/89/70/405678970.db2.gz QUIWQFGKUZDMRD-FZDIXFNVSA-N 1 3 319.493 2.194 20 0 DEADHO CN(C(=O)CCCC[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000580686473 405666770 /nfs/dbraw/zinc/66/67/70/405666770.db2.gz JLNUXERROVMCGR-SFHVURJKSA-N 1 3 317.477 2.451 20 0 DEADHO CO[C@@H](CNC[C@@H]1CCC[N@H+](CC(C)C)C1)C1CCOCC1 ZINC000638787764 405667900 /nfs/dbraw/zinc/66/79/00/405667900.db2.gz BZCGCLZLZYGLMP-WMZOPIPTSA-N 1 3 312.498 2.386 20 0 DEADHO CO[C@@H](CNC[C@@H]1CCC[N@@H+](CC(C)C)C1)C1CCOCC1 ZINC000638787764 405667904 /nfs/dbraw/zinc/66/79/04/405667904.db2.gz BZCGCLZLZYGLMP-WMZOPIPTSA-N 1 3 312.498 2.386 20 0 DEADHO CO[C@@H](C[NH2+]C[C@@H]1CCCN(CC(C)C)C1)C1CCOCC1 ZINC000638787764 405667909 /nfs/dbraw/zinc/66/79/09/405667909.db2.gz BZCGCLZLZYGLMP-WMZOPIPTSA-N 1 3 312.498 2.386 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000494248320 405668764 /nfs/dbraw/zinc/66/87/64/405668764.db2.gz QTLOTNCQJMQUSL-KRWDZBQOSA-N 1 3 307.482 2.242 20 0 DEADHO COCCN(C)CC[C@H](N[C@@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000422713439 405676699 /nfs/dbraw/zinc/67/66/99/405676699.db2.gz JQVLIBWQTBSQCS-UHOSZYNNSA-N 1 3 319.493 2.284 20 0 DEADHO CCN(CC)[C@@H](CN[C@H](C)C1C[NH2+]C1)c1cccc(OC)c1 ZINC000422799430 405684772 /nfs/dbraw/zinc/68/47/72/405684772.db2.gz WRJPFTBDJCBNME-KDOFPFPSSA-N 1 3 305.466 2.276 20 0 DEADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1cn2c(n1)SCC2 ZINC000423074306 405700212 /nfs/dbraw/zinc/70/02/12/405700212.db2.gz UKRLJMFPOILZSO-XJKSGUPXSA-N 1 3 316.474 2.079 20 0 DEADHO CCOc1cccc2cc([C@@H](C)NCCN3CC[NH2+]CC3)oc21 ZINC000423204870 405723725 /nfs/dbraw/zinc/72/37/25/405723725.db2.gz OWCBRRZXCZNCDU-CQSZACIVSA-N 1 3 317.433 2.387 20 0 DEADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)CCCC[NH3+] ZINC000582418773 405725972 /nfs/dbraw/zinc/72/59/72/405725972.db2.gz PKMJEZKAMPPAAS-SFHVURJKSA-N 1 3 317.477 2.486 20 0 DEADHO C[NH2+]C[C@H](C)CN[C@@H](CCn1cncn1)c1ccc(C)cc1 ZINC000423281106 405747160 /nfs/dbraw/zinc/74/71/60/405747160.db2.gz VKOBZYJSNUUSAY-RDJZCZTQSA-N 1 3 301.438 2.163 20 0 DEADHO CC(C)[C@H](C(=O)NCCCN1CCc2ccccc2C1)[C@H](C)[NH3+] ZINC000423319231 405758930 /nfs/dbraw/zinc/75/89/30/405758930.db2.gz DHMVSMQZGYFQFO-YJBOKZPZSA-N 1 3 317.477 2.170 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)[C@@H](N)C1CCC1)Cc1ccccc1 ZINC000423328000 405763022 /nfs/dbraw/zinc/76/30/22/405763022.db2.gz NOYNGIUKKVHPJS-ROUUACIJSA-N 1 3 317.477 2.183 20 0 DEADHO CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H](C)CCN1)[NH+]1CCC(C)CC1 ZINC000423322817 405760195 /nfs/dbraw/zinc/76/01/95/405760195.db2.gz IRZHVGVINKPJST-IXDOHACOSA-N 1 3 309.498 2.247 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000423381716 405784048 /nfs/dbraw/zinc/78/40/48/405784048.db2.gz NXRLORKNXCRXTA-NVXWUHKLSA-N 1 3 307.482 2.417 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000423381716 405784051 /nfs/dbraw/zinc/78/40/51/405784051.db2.gz NXRLORKNXCRXTA-NVXWUHKLSA-N 1 3 307.482 2.417 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000423394464 405787795 /nfs/dbraw/zinc/78/77/95/405787795.db2.gz ZUIXAMGTDRNBPQ-GMBSWORKSA-N 1 3 313.445 2.080 20 0 DEADHO Cc1cccc([C@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000423395487 405788385 /nfs/dbraw/zinc/78/83/85/405788385.db2.gz SROWUFINQYFQHM-ZFWWWQNUSA-N 1 3 315.383 2.482 20 0 DEADHO Cc1cccc([C@@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000423395486 405788841 /nfs/dbraw/zinc/78/88/41/405788841.db2.gz SROWUFINQYFQHM-UKRRQHHQSA-N 1 3 315.383 2.482 20 0 DEADHO C[C@@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1cccc(N2CCOCC2)c1 ZINC000423400148 405790967 /nfs/dbraw/zinc/79/09/67/405790967.db2.gz WLEYPMRKKFZBSP-BFYDXBDKSA-N 1 3 303.450 2.314 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@@H]1Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000583988561 405802336 /nfs/dbraw/zinc/80/23/36/405802336.db2.gz CEUVIPXTEHXORK-HKUYNNGSSA-N 1 3 317.477 2.430 20 0 DEADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](c1nc[nH]n1)C1CCCCC1 ZINC000495054794 405807224 /nfs/dbraw/zinc/80/72/24/405807224.db2.gz WXAIZQROZANHNV-JKSUJKDBSA-N 1 3 323.485 2.373 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)CC[C@H]3CCC[NH2+]3)C2)cc1 ZINC000639003722 405814097 /nfs/dbraw/zinc/81/40/97/405814097.db2.gz CBPAAFOKVAZNPU-QZTJIDSGSA-N 1 3 315.461 2.218 20 0 DEADHO C[N@@H+]1CC[C@H](N[C@@H]2CNCCC2(F)F)C[C@@H]1c1ccccc1 ZINC000423477761 405819616 /nfs/dbraw/zinc/81/96/16/405819616.db2.gz KJKBWDMTEGGPDQ-ARFHVFGLSA-N 1 3 309.404 2.409 20 0 DEADHO C[N@H+]1CC[C@H](N[C@@H]2CNCCC2(F)F)C[C@@H]1c1ccccc1 ZINC000423477761 405819622 /nfs/dbraw/zinc/81/96/22/405819622.db2.gz KJKBWDMTEGGPDQ-ARFHVFGLSA-N 1 3 309.404 2.409 20 0 DEADHO c1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C[C@@H]2CNCCCO2)cc1 ZINC000423485771 405823041 /nfs/dbraw/zinc/82/30/41/405823041.db2.gz BFQGYBFUMGXBOS-SZMVWBNQSA-N 1 3 304.434 2.122 20 0 DEADHO CN(C)CCN(C(=O)NCC[C@@H]1CCC[N@H+](C)C1)C1CCCC1 ZINC000459260212 405824709 /nfs/dbraw/zinc/82/47/09/405824709.db2.gz KOQYZOMRAYVPAS-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO CN(C)CCN(C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)C1CCCC1 ZINC000459260212 405824716 /nfs/dbraw/zinc/82/47/16/405824716.db2.gz KOQYZOMRAYVPAS-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO COc1ccc([C@H]2C[C@@H]2[C@@H](C)NC[C@H]2C[NH2+]CCCO2)cc1 ZINC000423496354 405826136 /nfs/dbraw/zinc/82/61/36/405826136.db2.gz WNUBRWZSDSOMGI-BNEJOLLZSA-N 1 3 304.434 2.155 20 0 DEADHO C[C@H](CN)[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000423336923 405764885 /nfs/dbraw/zinc/76/48/85/405764885.db2.gz UQJOOVWMDJMWQV-SFYZADRCSA-N 1 3 322.165 2.428 20 0 DEADHO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423354972 405774320 /nfs/dbraw/zinc/77/43/20/405774320.db2.gz DKMWHNYGIRCMHT-JZXOWHBKSA-N 1 3 302.466 2.024 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423605050 405871953 /nfs/dbraw/zinc/87/19/53/405871953.db2.gz GOWXNKGCVJKYSM-RCCFBDPRSA-N 1 3 315.461 2.237 20 0 DEADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1oc2ccccc2c1CN(C)C ZINC000423637742 405888380 /nfs/dbraw/zinc/88/83/80/405888380.db2.gz CXWJXDNGXJKTRI-FZMZJTMJSA-N 1 3 301.390 2.056 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423647703 405892975 /nfs/dbraw/zinc/89/29/75/405892975.db2.gz YSKVINIKMGQCKU-MRXNPFEDSA-N 1 3 315.461 2.210 20 0 DEADHO C[N@H+](Cc1ccccc1)CC(C)(C)CNC[C@H]1CCCC(=O)N1 ZINC000433199454 405897122 /nfs/dbraw/zinc/89/71/22/405897122.db2.gz LNQVMJYGEJLAOX-QGZVFWFLSA-N 1 3 317.477 2.403 20 0 DEADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNC[C@H]1CCCC(=O)N1 ZINC000433199454 405897130 /nfs/dbraw/zinc/89/71/30/405897130.db2.gz LNQVMJYGEJLAOX-QGZVFWFLSA-N 1 3 317.477 2.403 20 0 DEADHO CCn1ccnc1[C@H]1OCCC[C@@H]1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000639079438 405865592 /nfs/dbraw/zinc/86/55/92/405865592.db2.gz OBKCQUAWHJCNGI-FZKCQIBNSA-N 1 3 306.454 2.195 20 0 DEADHO CCn1ccnc1[C@H]1OCCC[C@@H]1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000639079438 405865598 /nfs/dbraw/zinc/86/55/98/405865598.db2.gz OBKCQUAWHJCNGI-FZKCQIBNSA-N 1 3 306.454 2.195 20 0 DEADHO CCC(CC)[C@H](CNC(=O)NC[C@H](C)N(C)C)[NH+]1CCCC1 ZINC000457626850 405925721 /nfs/dbraw/zinc/92/57/21/405925721.db2.gz UKJOTYFYIKAPAR-HOCLYGCPSA-N 1 3 312.502 2.136 20 0 DEADHO CN(C)CCN(CCCc1ccccc1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000423740588 405939912 /nfs/dbraw/zinc/93/99/12/405939912.db2.gz GTGNDPQNGOJKEA-ROUUACIJSA-N 1 3 317.477 2.137 20 0 DEADHO CO[C@@H](C[N@@H+]1CC[C@H](C2CCN(C)CC2)C1)C1CCOCC1 ZINC000639176601 405947770 /nfs/dbraw/zinc/94/77/70/405947770.db2.gz HZNSLBVFNUATPH-ROUUACIJSA-N 1 3 310.482 2.092 20 0 DEADHO CO[C@@H](C[N@H+]1CC[C@H](C2CCN(C)CC2)C1)C1CCOCC1 ZINC000639176601 405947774 /nfs/dbraw/zinc/94/77/74/405947774.db2.gz HZNSLBVFNUATPH-ROUUACIJSA-N 1 3 310.482 2.092 20 0 DEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000423757642 405949819 /nfs/dbraw/zinc/94/98/19/405949819.db2.gz IQXISSAYEICNEK-NVXWUHKLSA-N 1 3 321.440 2.091 20 0 DEADHO CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@H](CN)c1ccccc1 ZINC000423764766 405953261 /nfs/dbraw/zinc/95/32/61/405953261.db2.gz SXMPZFUOPIYMIZ-GOSISDBHSA-N 1 3 317.477 2.452 20 0 DEADHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@H](CN)c1ccccc1 ZINC000423764766 405953267 /nfs/dbraw/zinc/95/32/67/405953267.db2.gz SXMPZFUOPIYMIZ-GOSISDBHSA-N 1 3 317.477 2.452 20 0 DEADHO C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]2NCCc3ccccc32)cc1 ZINC000423683632 405906570 /nfs/dbraw/zinc/90/65/70/405906570.db2.gz WTQQAYRGKBHHMQ-SCLBCKFNSA-N 1 3 309.413 2.323 20 0 DEADHO C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H]2NCCc3ccccc32)cc1 ZINC000423683633 405907329 /nfs/dbraw/zinc/90/73/29/405907329.db2.gz WTQQAYRGKBHHMQ-UGSOOPFHSA-N 1 3 309.413 2.323 20 0 DEADHO Cc1cc(CN(C)C)cc(NC(=O)C[C@@H]2CSCC[NH2+]2)c1 ZINC000423794092 405970121 /nfs/dbraw/zinc/97/01/21/405970121.db2.gz XQGXJWYKSRETBF-OAHLLOKOSA-N 1 3 307.463 2.090 20 0 DEADHO Cc1cc(CN(C)C)cc(NC(=O)C[C@H]2CSCC[NH2+]2)c1 ZINC000423794090 405970514 /nfs/dbraw/zinc/97/05/14/405970514.db2.gz XQGXJWYKSRETBF-HNNXBMFYSA-N 1 3 307.463 2.090 20 0 DEADHO c1nc([C@H](N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C2CCCCC2)n[nH]1 ZINC000568869930 292373455 /nfs/dbraw/zinc/37/34/55/292373455.db2.gz BZHXXURUAYXAJG-ARFHVFGLSA-N 1 3 303.454 2.404 20 0 DEADHO C[C@@H](CC(=O)NCCc1ccccc1)NCC[N@@H+]1CC[C@H](C)C1 ZINC000532530989 406082822 /nfs/dbraw/zinc/08/28/22/406082822.db2.gz AZYVNWGDSRZWNY-IRXDYDNUSA-N 1 3 317.477 2.055 20 0 DEADHO C[C@@H](CC(=O)NCCc1ccccc1)NCC[N@H+]1CC[C@H](C)C1 ZINC000532530989 406082826 /nfs/dbraw/zinc/08/28/26/406082826.db2.gz AZYVNWGDSRZWNY-IRXDYDNUSA-N 1 3 317.477 2.055 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc2c1CCNC2 ZINC000567570291 406097846 /nfs/dbraw/zinc/09/78/46/406097846.db2.gz LWRQZKWUEASTFM-HNNXBMFYSA-N 1 3 316.449 2.328 20 0 DEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cccc2c1CCNC2 ZINC000567570291 406097848 /nfs/dbraw/zinc/09/78/48/406097848.db2.gz LWRQZKWUEASTFM-HNNXBMFYSA-N 1 3 316.449 2.328 20 0 DEADHO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000639337750 406055068 /nfs/dbraw/zinc/05/50/68/406055068.db2.gz OXUSQCPTSWOORZ-HYVNUMGLSA-N 1 3 307.482 2.145 20 0 DEADHO CN(C)Cc1ccc(-c2noc([C@]34CCC[C@H]3C[NH2+]C4)n2)cc1 ZINC000634554548 406168772 /nfs/dbraw/zinc/16/87/72/406168772.db2.gz DUBHAOUGRGNTKI-YJBOKZPZSA-N 1 3 312.417 2.439 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000487195371 406214692 /nfs/dbraw/zinc/21/46/92/406214692.db2.gz JTMQPYUKDGIMFC-MRXNPFEDSA-N 1 3 303.450 2.351 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000487195371 406214697 /nfs/dbraw/zinc/21/46/97/406214697.db2.gz JTMQPYUKDGIMFC-MRXNPFEDSA-N 1 3 303.450 2.351 20 0 DEADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2C)C1 ZINC000519636321 406226567 /nfs/dbraw/zinc/22/65/67/406226567.db2.gz DFDBALYNHVPJLS-DLBZAZTESA-N 1 3 306.450 2.056 20 0 DEADHO C[NH+]1CCC2(CCN([C@H]3CCc4ccccc4NC3=O)C2)CC1 ZINC000639754532 406236992 /nfs/dbraw/zinc/23/69/92/406236992.db2.gz BYCCLIXHRNJFCZ-KRWDZBQOSA-N 1 3 313.445 2.358 20 0 DEADHO CC[C@H](O)C[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000568991539 292382193 /nfs/dbraw/zinc/38/21/93/292382193.db2.gz PNLYNQZTKBUMIQ-IBGZPJMESA-N 1 3 319.493 2.258 20 0 DEADHO CC[NH+](CC)C[C@H](C)NC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000488562829 406330130 /nfs/dbraw/zinc/33/01/30/406330130.db2.gz SOXJFZHXPPVWPX-LTIDMASMSA-N 1 3 324.513 2.088 20 0 DEADHO O[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)COCc1ccco1 ZINC000570037032 406336028 /nfs/dbraw/zinc/33/60/28/406336028.db2.gz LRHDETZPRCOZMS-QGZVFWFLSA-N 1 3 322.449 2.154 20 0 DEADHO CC[NH2+]CCCNC(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000569094154 292389483 /nfs/dbraw/zinc/38/94/83/292389483.db2.gz SQUHPBYJEQCWBX-UHFFFAOYSA-N 1 3 320.481 2.279 20 0 DEADHO CCCC[N@H+](C)CCNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488957841 406363898 /nfs/dbraw/zinc/36/38/98/406363898.db2.gz VPPWFOJOJPSCQT-GVDBMIGSSA-N 1 3 324.513 2.090 20 0 DEADHO CCCC[N@@H+](C)CCNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488957841 406363903 /nfs/dbraw/zinc/36/39/03/406363903.db2.gz VPPWFOJOJPSCQT-GVDBMIGSSA-N 1 3 324.513 2.090 20 0 DEADHO N[C@@H]1CCC[C@H]([NH2+]CCCCn2cc(Br)cn2)C1 ZINC000570410945 406390585 /nfs/dbraw/zinc/39/05/85/406390585.db2.gz RULZZTBNAWPALH-OLZOCXBDSA-N 1 3 315.259 2.285 20 0 DEADHO COc1ccc2c(c1)C[C@@H](N[C@H]1CC[NH2+]CC(C)(C)C1)CO2 ZINC000635008901 406398342 /nfs/dbraw/zinc/39/83/42/406398342.db2.gz FMUJJKDTMOFRBU-LSDHHAIUSA-N 1 3 304.434 2.367 20 0 DEADHO Cc1nc([C@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)cs1 ZINC000635010752 406398832 /nfs/dbraw/zinc/39/88/32/406398832.db2.gz LCDDZKXOFKGCMU-NSHDSACASA-N 1 3 303.435 2.429 20 0 DEADHO C[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)C1CCSCC1 ZINC000635011414 406399682 /nfs/dbraw/zinc/39/96/82/406399682.db2.gz ZTCCMKGLZNZLGI-ZDUSSCGKSA-N 1 3 306.479 2.435 20 0 DEADHO c1nc2cc(CNC3CC[NH+](C[C@H]4CCOC4)CC3)ccc2[nH]1 ZINC000522962501 406415127 /nfs/dbraw/zinc/41/51/27/406415127.db2.gz HHRGVWZPRPCCNN-OAHLLOKOSA-N 1 3 314.433 2.153 20 0 DEADHO c1nc2ccc(CNC3CC[NH+](C[C@H]4CCOC4)CC3)cc2[nH]1 ZINC000522962501 406415131 /nfs/dbraw/zinc/41/51/31/406415131.db2.gz HHRGVWZPRPCCNN-OAHLLOKOSA-N 1 3 314.433 2.153 20 0 DEADHO CN1CCN(CCCC[NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000546686377 406373378 /nfs/dbraw/zinc/37/33/78/406373378.db2.gz KMHGUJKZUWOQBE-GOSISDBHSA-N 1 3 320.456 2.289 20 0 DEADHO CO[C@]1(CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCOC1 ZINC000638067727 406553449 /nfs/dbraw/zinc/55/34/49/406553449.db2.gz UIZMKETYOZTPCZ-OALUTQOASA-N 1 3 318.461 2.246 20 0 DEADHO CO[C@]1(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCOC1 ZINC000638067727 406553452 /nfs/dbraw/zinc/55/34/52/406553452.db2.gz UIZMKETYOZTPCZ-OALUTQOASA-N 1 3 318.461 2.246 20 0 DEADHO CC[NH2+][C@@H](C)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000638087903 406563281 /nfs/dbraw/zinc/56/32/81/406563281.db2.gz BBVPXEXEGLXHHB-AWEZNQCLSA-N 1 3 321.490 2.214 20 0 DEADHO CC[C@](C)(CN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)OC ZINC000637984419 406509045 /nfs/dbraw/zinc/50/90/45/406509045.db2.gz FWBRJXXHQLKERV-KZNAEPCWSA-N 1 3 311.514 2.292 20 0 DEADHO CO[C@H](CN1CC[C@@H](C[N@H+](C)CC2CC2)C1)C1CCOCC1 ZINC000638134676 406588430 /nfs/dbraw/zinc/58/84/30/406588430.db2.gz PXYSJYSBXOQSCA-FUHWJXTLSA-N 1 3 310.482 2.092 20 0 DEADHO CO[C@H](CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1)C1CCOCC1 ZINC000638134676 406588433 /nfs/dbraw/zinc/58/84/33/406588433.db2.gz PXYSJYSBXOQSCA-FUHWJXTLSA-N 1 3 310.482 2.092 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)CC(C)(C)C ZINC000638252857 406650755 /nfs/dbraw/zinc/65/07/55/406650755.db2.gz WPDOZUJYHIQRRS-HZPDHXFCSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CN1Cc1ccccc1 ZINC000635677772 406672199 /nfs/dbraw/zinc/67/21/99/406672199.db2.gz WNQHTQLJIKZFJN-WBVHZDCISA-N 1 3 315.461 2.107 20 0 DEADHO COc1ccc(C[NH2+]C2CCN(CC(C)(C)O)CC2)cc1OC ZINC000638289120 406674769 /nfs/dbraw/zinc/67/47/69/406674769.db2.gz JTDGYIGUDBAHTI-UHFFFAOYSA-N 1 3 322.449 2.029 20 0 DEADHO CC1(C)C[NH2+][C@@H]1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000645808327 406641589 /nfs/dbraw/zinc/64/15/89/406641589.db2.gz IDUQARLPSCAYSM-UKRRQHHQSA-N 1 3 321.490 2.074 20 0 DEADHO C[C@@H](C[NH2+]C1CCN(CC(C)(C)O)CC1)N1CCCC[C@H]1C ZINC000638361608 406724583 /nfs/dbraw/zinc/72/45/83/406724583.db2.gz RSDZOKUYBIOTAR-CVEARBPZSA-N 1 3 311.514 2.074 20 0 DEADHO CN(C)C/C=C\C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000491923551 406778663 /nfs/dbraw/zinc/77/86/63/406778663.db2.gz FBCUJVWXEXQMAB-WAYWQWQTSA-N 1 3 314.433 2.259 20 0 DEADHO C[C@@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)[C@H]1CC12CC2 ZINC000527857089 406773433 /nfs/dbraw/zinc/77/34/33/406773433.db2.gz BRDMSWJGXAHFLS-RHSMWYFYSA-N 1 3 315.461 2.256 20 0 DEADHO C[C@H]1CCC[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)CC1 ZINC000641762503 406887130 /nfs/dbraw/zinc/88/71/30/406887130.db2.gz LCXXLSTWBPCHAU-ROUUACIJSA-N 1 3 323.525 2.341 20 0 DEADHO CC[NH+](CC)CC[C@H](CO)N[C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000641769404 406888504 /nfs/dbraw/zinc/88/85/04/406888504.db2.gz ATICZMLWJWJMIH-XMTFNYHQSA-N 1 3 312.498 2.264 20 0 DEADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCC(=O)NCc1ccccc1Cl ZINC000641802884 406895741 /nfs/dbraw/zinc/89/57/41/406895741.db2.gz BSNVYARQMDMBDK-KBPBESRZSA-N 1 3 309.841 2.062 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000643057199 406949940 /nfs/dbraw/zinc/94/99/40/406949940.db2.gz YCHPVDGVMXLESX-JKSUJKDBSA-N 1 3 314.433 2.340 20 0 DEADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000643057199 406949945 /nfs/dbraw/zinc/94/99/45/406949945.db2.gz YCHPVDGVMXLESX-JKSUJKDBSA-N 1 3 314.433 2.340 20 0 DEADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000643057199 406949948 /nfs/dbraw/zinc/94/99/48/406949948.db2.gz YCHPVDGVMXLESX-JKSUJKDBSA-N 1 3 314.433 2.340 20 0 DEADHO C[C@H](NC[C@H]1CCCC[NH2+]1)c1ccc(OCCN(C)C)cc1 ZINC000643501748 407009025 /nfs/dbraw/zinc/00/90/25/407009025.db2.gz PGGJTLKMWHSKMQ-DOTOQJQBSA-N 1 3 305.466 2.420 20 0 DEADHO CCC[C@H]1C[NH2+]CCN1Cc1ccc(OCCN(C)C)cc1 ZINC000647510635 407010277 /nfs/dbraw/zinc/01/02/77/407010277.db2.gz PTIVWZBQSLUQIG-KRWDZBQOSA-N 1 3 305.466 2.201 20 0 DEADHO COCC[N@H+](C)CCCC1CCN(Cc2ccc(N)nc2)CC1 ZINC000647517871 407011385 /nfs/dbraw/zinc/01/13/85/407011385.db2.gz PNLCHHOPGLAMBR-UHFFFAOYSA-N 1 3 320.481 2.065 20 0 DEADHO COCC[N@@H+](C)CCCC1CCN(Cc2ccc(N)nc2)CC1 ZINC000647517871 407011387 /nfs/dbraw/zinc/01/13/87/407011387.db2.gz PNLCHHOPGLAMBR-UHFFFAOYSA-N 1 3 320.481 2.065 20 0 DEADHO COc1cc(NC(C)=O)ccc1[C@H](C)N[C@H]1CC12CC[NH2+]CC2 ZINC000643536811 407012286 /nfs/dbraw/zinc/01/22/86/407012286.db2.gz WVVBMJIFFWVJMV-SJCJKPOMSA-N 1 3 317.433 2.446 20 0 DEADHO CC[C@@H](CN1CCCC1)NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000643380971 406993499 /nfs/dbraw/zinc/99/34/99/406993499.db2.gz UJCJNNCPBFODTG-FHERZECASA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1C[C@H](C)N(Cc2ccc(C(=O)NC3CC3)cc2)C[C@H]1C[NH3+] ZINC000643427604 406999076 /nfs/dbraw/zinc/99/90/76/406999076.db2.gz LYSZXMNMEYGTHO-JKIFEVAISA-N 1 3 315.461 2.384 20 0 DEADHO Cc1cc(CCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)on1 ZINC000643489060 407006713 /nfs/dbraw/zinc/00/67/13/407006713.db2.gz MSELRGDKINMZPH-AEFFLSMTSA-N 1 3 313.401 2.371 20 0 DEADHO C[C@@H]([NH3+])C1CCN(Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000647492246 407007070 /nfs/dbraw/zinc/00/70/70/407007070.db2.gz SSGOENURMIXVDB-CYBMUJFWSA-N 1 3 301.434 2.138 20 0 DEADHO CCCCCNC(=O)[C@H](C)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975578 407091847 /nfs/dbraw/zinc/09/18/47/407091847.db2.gz CCWVQQVALGGXRE-YESZJQIVSA-N 1 3 309.498 2.393 20 0 DEADHO CN(CCSc1ccc(Cl)cc1)CCN1CC[NH2+]CC1 ZINC000647835177 407059033 /nfs/dbraw/zinc/05/90/33/407059033.db2.gz PWXYXIWZRQDKGE-UHFFFAOYSA-N 1 3 313.898 2.269 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C[C@@]2(C)CCCS2)CC1 ZINC000647910970 407073152 /nfs/dbraw/zinc/07/31/52/407073152.db2.gz MZDDDRVHJCETMW-IAGOWNOFSA-N 1 3 311.539 2.374 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C[C@@]2(C)CCCS2)CC1 ZINC000647910970 407073155 /nfs/dbraw/zinc/07/31/55/407073155.db2.gz MZDDDRVHJCETMW-IAGOWNOFSA-N 1 3 311.539 2.374 20 0 DEADHO CC[C@H]1CN(CCC(=O)NCc2ccccc2Cl)CC[C@H]1[NH3+] ZINC000647938363 407079896 /nfs/dbraw/zinc/07/98/96/407079896.db2.gz KQQAENHBBISQPP-XJKSGUPXSA-N 1 3 323.868 2.406 20 0 DEADHO C[C@@H]1[C@H](C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000648128858 407123526 /nfs/dbraw/zinc/12/35/26/407123526.db2.gz UNQOVEZJFHFKRB-NOZJJQNGSA-N 1 3 315.339 2.443 20 0 DEADHO C[C@@H]1[C@H](C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000648128858 407123527 /nfs/dbraw/zinc/12/35/27/407123527.db2.gz UNQOVEZJFHFKRB-NOZJJQNGSA-N 1 3 315.339 2.443 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000129025675 196013399 /nfs/dbraw/zinc/01/33/99/196013399.db2.gz OIRWTCPYXBCSJI-IAGOWNOFSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H](O)CN(C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000130653240 196099271 /nfs/dbraw/zinc/09/92/71/196099271.db2.gz UUXAINPPVIHHOT-OAHLLOKOSA-N 1 3 305.466 2.030 20 0 DEADHO C[C@H]1C[C@@H](C[NH3+])CN1CCOc1ccc(Br)cc1 ZINC000131665140 196188968 /nfs/dbraw/zinc/18/89/68/196188968.db2.gz KEIKUMYBHAUBMU-RYUDHWBXSA-N 1 3 313.239 2.497 20 0 DEADHO CC[C@@]1(C)C[C@@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000134072048 196359358 /nfs/dbraw/zinc/35/93/58/196359358.db2.gz BYARMCXYMYLFFX-AEFFLSMTSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](C[NH3+])N(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000417835787 229118774 /nfs/dbraw/zinc/11/87/74/229118774.db2.gz LHZIHEDEAZZGPI-BFYDXBDKSA-N 1 3 318.465 2.028 20 0 DEADHO CN(C)CCN(C(=O)NC1CCC([NH+](C)C)CC1)C1CCCC1 ZINC000422247561 230104073 /nfs/dbraw/zinc/10/40/73/230104073.db2.gz XAYIRSDEWPNCLG-UHFFFAOYSA-N 1 3 324.513 2.375 20 0 DEADHO Cc1nc(COc2ccc(CNC(C)(C)CC[NH3+])cc2)no1 ZINC000422558193 230141249 /nfs/dbraw/zinc/14/12/49/230141249.db2.gz AIYQRHGVRUMXQX-UHFFFAOYSA-N 1 3 304.394 2.174 20 0 DEADHO C[C@@H]1C[C@@H](C)N(CCC(=O)Nc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000422632006 230159631 /nfs/dbraw/zinc/15/96/31/230159631.db2.gz GFIALQFLOLLOEZ-MGPQQGTHSA-N 1 3 307.413 2.460 20 0 DEADHO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccc(F)cc2)C[C@H]1CN ZINC000422632006 230159634 /nfs/dbraw/zinc/15/96/34/230159634.db2.gz GFIALQFLOLLOEZ-MGPQQGTHSA-N 1 3 307.413 2.460 20 0 DEADHO C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccc(F)cc2)C[C@H]1CN ZINC000422632006 230159637 /nfs/dbraw/zinc/15/96/37/230159637.db2.gz GFIALQFLOLLOEZ-MGPQQGTHSA-N 1 3 307.413 2.460 20 0 DEADHO [NH3+][C@@H]1CCCCC[C@@H]1NCc1cccc(CN2CCOCC2)c1 ZINC000422697746 230168040 /nfs/dbraw/zinc/16/80/40/230168040.db2.gz VZGBJJHUVXZJKC-MOPGFXCFSA-N 1 3 317.477 2.268 20 0 DEADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000422697746 230168046 /nfs/dbraw/zinc/16/80/46/230168046.db2.gz VZGBJJHUVXZJKC-MOPGFXCFSA-N 1 3 317.477 2.268 20 0 DEADHO Cc1ccc([C@H](CN[C@@H](C)C[C@H](C)[NH3+])N2CCOCC2)cc1 ZINC000422709580 230171851 /nfs/dbraw/zinc/17/18/51/230171851.db2.gz KSVYIYWMZRYLAN-BQFCYCMXSA-N 1 3 305.466 2.084 20 0 DEADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc(CN2CCCC2=O)cc1 ZINC000422713596 230174321 /nfs/dbraw/zinc/17/43/21/230174321.db2.gz KCTJGMYDIKHJMA-IAGOWNOFSA-N 1 3 301.434 2.026 20 0 DEADHO COCCN(C)CC[C@@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422722824 230177878 /nfs/dbraw/zinc/17/78/78/230177878.db2.gz YXMKHJCVANFLST-YTQUADARSA-N 1 3 319.493 2.426 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(OC(F)F)cc1 ZINC000422758919 230192794 /nfs/dbraw/zinc/19/27/94/230192794.db2.gz JQVAYMPGSDCKHC-GDLCADMTSA-N 1 3 300.349 2.130 20 0 DEADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Oc1ccccc1F ZINC000422790556 230211995 /nfs/dbraw/zinc/21/19/95/230211995.db2.gz PJCUYWIIYPGXCK-YQFWSFKMSA-N 1 3 322.424 2.340 20 0 DEADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCc1nccn1Cc1ccccc1 ZINC000422819911 230223991 /nfs/dbraw/zinc/22/39/91/230223991.db2.gz OFYFDUWCWNFETO-WMZOPIPTSA-N 1 3 312.461 2.452 20 0 DEADHO COC[C@@H](CCC[NH3+])NCc1cn(-c2ccc(F)cc2)nc1C ZINC000422844235 230238105 /nfs/dbraw/zinc/23/81/05/230238105.db2.gz LGUDFAVMXMRZGW-MRXNPFEDSA-N 1 3 320.412 2.163 20 0 DEADHO O=C(CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)NCc1ccccc1 ZINC000422851236 230242209 /nfs/dbraw/zinc/24/22/09/230242209.db2.gz WQNTVSGHPCTTTC-RCCFBDPRSA-N 1 3 315.461 2.203 20 0 DEADHO COC1CCN(C2(CN[C@@H](C)[C@@H]3CCC[NH2+]3)CCCC2)CC1 ZINC000422887397 230258889 /nfs/dbraw/zinc/25/88/89/230258889.db2.gz KWODZVFXOAFSEY-RDJZCZTQSA-N 1 3 309.498 2.140 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000422887830 230260082 /nfs/dbraw/zinc/26/00/82/230260082.db2.gz LNGPAYDUGNUXGA-OWQGQXMQSA-N 1 3 301.434 2.442 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCCc1c[nH]c2ccccc12 ZINC000422887830 230260085 /nfs/dbraw/zinc/26/00/85/230260085.db2.gz LNGPAYDUGNUXGA-OWQGQXMQSA-N 1 3 301.434 2.442 20 0 DEADHO N[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl ZINC000422907106 230271737 /nfs/dbraw/zinc/27/17/37/230271737.db2.gz WOLQKQMZXHEFFV-MVWJERBFSA-N 1 3 319.232 2.203 20 0 DEADHO N[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl ZINC000422907105 230273454 /nfs/dbraw/zinc/27/34/54/230273454.db2.gz WOLQKQMZXHEFFV-JLLWLGSASA-N 1 3 319.232 2.203 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCOCc1ccc(Cl)cc1 ZINC000423001813 230312360 /nfs/dbraw/zinc/31/23/60/230312360.db2.gz ILVIXSJJGMFBGM-VBNZEHGJSA-N 1 3 312.841 2.199 20 0 DEADHO Fc1cccc(NCCCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423035503 230324683 /nfs/dbraw/zinc/32/46/83/230324683.db2.gz ROABGYZVPSQSSW-FGTMMUONSA-N 1 3 321.440 2.374 20 0 DEADHO C[C@@H](CCC[NH3+])N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000423039604 230328152 /nfs/dbraw/zinc/32/81/52/230328152.db2.gz FRRKXFKKNAXORO-HZMBPMFUSA-N 1 3 313.804 2.301 20 0 DEADHO N[C@@H]1C[C@@H]([NH2+][C@H](CO)Cc2ccc(F)cc2)c2ccccc21 ZINC000423068632 230337648 /nfs/dbraw/zinc/33/76/48/230337648.db2.gz CJSYTNFZCFAVOR-BMGDILEWSA-N 1 3 300.377 2.464 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000423076133 230338865 /nfs/dbraw/zinc/33/88/65/230338865.db2.gz QLTGFIOGCSVHFR-ZACQAIPSSA-N 1 3 305.491 2.073 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000423082064 230342307 /nfs/dbraw/zinc/34/23/07/230342307.db2.gz CJLRWOPVYXPGQY-SNRMKQJTSA-N 1 3 317.477 2.245 20 0 DEADHO c1cc2cc(CCN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)ccc2[nH]1 ZINC000423093690 230348097 /nfs/dbraw/zinc/34/80/97/230348097.db2.gz ABAUKJMDQKNXCG-QXAKKESOSA-N 1 3 313.445 2.457 20 0 DEADHO C[C@H](C[C@@H]1COCCN1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423094980 230348178 /nfs/dbraw/zinc/34/81/78/230348178.db2.gz LDMOPJWAEZOEHT-NUJGCVRESA-N 1 3 309.498 2.140 20 0 DEADHO C[C@H](C[C@@H]1COCCN1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000423094980 230348184 /nfs/dbraw/zinc/34/81/84/230348184.db2.gz LDMOPJWAEZOEHT-NUJGCVRESA-N 1 3 309.498 2.140 20 0 DEADHO O[C@@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000423114354 230354271 /nfs/dbraw/zinc/35/42/71/230354271.db2.gz VHKUSNIDIPLOCL-NCXUSEDFSA-N 1 3 302.462 2.490 20 0 DEADHO COCC1(CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CCCCC1 ZINC000423142171 230362490 /nfs/dbraw/zinc/36/24/90/230362490.db2.gz UKJICSTXNDZYPU-GVDBMIGSSA-N 1 3 310.482 2.330 20 0 DEADHO C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000447970802 533686716 /nfs/dbraw/zinc/68/67/16/533686716.db2.gz GVHUWGSGCNISRA-HZPDHXFCSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000447970802 533686723 /nfs/dbraw/zinc/68/67/23/533686723.db2.gz GVHUWGSGCNISRA-HZPDHXFCSA-N 1 3 324.513 2.138 20 0 DEADHO CC[N@@H+]1CC[C@H](NCCNc2ccc3ccccc3n2)[C@@H](C)C1 ZINC000358391737 424823107 /nfs/dbraw/zinc/82/31/07/424823107.db2.gz FMLPALBXLWUDAK-RDJZCZTQSA-N 1 3 312.461 2.967 20 0 DEADHO CC[N@H+]1CC[C@H](NCCNc2ccc3ccccc3n2)[C@@H](C)C1 ZINC000358391737 424823108 /nfs/dbraw/zinc/82/31/08/424823108.db2.gz FMLPALBXLWUDAK-RDJZCZTQSA-N 1 3 312.461 2.967 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+]2CC[C@H](CCCO)C2)cc1 ZINC000648874223 424920710 /nfs/dbraw/zinc/92/07/10/424920710.db2.gz TZPLNPOYIZGNCH-INIZCTEOSA-N 1 3 306.450 2.221 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+]2CC[C@H](CCCO)C2)cc1 ZINC000648874223 424920713 /nfs/dbraw/zinc/92/07/13/424920713.db2.gz TZPLNPOYIZGNCH-INIZCTEOSA-N 1 3 306.450 2.221 20 0 DEADHO CC(C)C[C@@H](N)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000397514486 424921715 /nfs/dbraw/zinc/92/17/15/424921715.db2.gz RHDXLFSGAFOYAS-GOSISDBHSA-N 1 3 317.477 2.388 20 0 DEADHO CC(C)[NH2+]CCC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000309922185 424893662 /nfs/dbraw/zinc/89/36/62/424893662.db2.gz WIBOKAWEKVPJEN-SFHVURJKSA-N 1 3 317.477 2.403 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000648731868 424899825 /nfs/dbraw/zinc/89/98/25/424899825.db2.gz UNTZKXZYIVJTMP-BPQIPLTHSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000648731868 424899828 /nfs/dbraw/zinc/89/98/28/424899828.db2.gz UNTZKXZYIVJTMP-BPQIPLTHSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1CNCCC1(F)F ZINC000649294946 424986190 /nfs/dbraw/zinc/98/61/90/424986190.db2.gz WWPLTWRUXAZALR-KBPBESRZSA-N 1 3 317.424 2.002 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CNCCC1(F)F ZINC000649294946 424986193 /nfs/dbraw/zinc/98/61/93/424986193.db2.gz WWPLTWRUXAZALR-KBPBESRZSA-N 1 3 317.424 2.002 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCCCN2)C1 ZINC000649307203 424989955 /nfs/dbraw/zinc/98/99/55/424989955.db2.gz ADSFEXKRWXAJKO-XHSDSOJGSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCCCN2)C1 ZINC000649307203 424989957 /nfs/dbraw/zinc/98/99/57/424989957.db2.gz ADSFEXKRWXAJKO-XHSDSOJGSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]1CCN[C@@H](C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000649328719 424993225 /nfs/dbraw/zinc/99/32/25/424993225.db2.gz CNAVSPCQNXGSCQ-RHSMWYFYSA-N 1 3 319.449 2.344 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)NCCN1CCCC[C@H]1C ZINC000649491261 425026824 /nfs/dbraw/zinc/02/68/24/425026824.db2.gz GRSKTMWNIIFAPT-MRXNPFEDSA-N 1 3 312.502 2.138 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)NCCN1CCCC[C@H]1C ZINC000649491261 425026826 /nfs/dbraw/zinc/02/68/26/425026826.db2.gz GRSKTMWNIIFAPT-MRXNPFEDSA-N 1 3 312.502 2.138 20 0 DEADHO Cc1nn(C(C)C)cc1CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708273 425039066 /nfs/dbraw/zinc/03/90/66/425039066.db2.gz WVGIZSIQIZAAAP-JQHSSLGASA-N 1 3 320.481 2.491 20 0 DEADHO CCc1ncc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000650707778 425040163 /nfs/dbraw/zinc/04/01/63/425040163.db2.gz MXTGTOVDFZCPSF-GZBFAFLISA-N 1 3 309.479 2.424 20 0 DEADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2ccc3c(c2)CCO3)C1 ZINC000650722070 425042704 /nfs/dbraw/zinc/04/27/04/425042704.db2.gz JYVRUMOABLQGFL-LMMKCTJWSA-N 1 3 316.445 2.482 20 0 DEADHO Oc1cccc(CN2CCN(CCCC3CC[NH2+]CC3)CC2)c1 ZINC000649412201 425013833 /nfs/dbraw/zinc/01/38/33/425013833.db2.gz VPJDZHFQMKWTFM-UHFFFAOYSA-N 1 3 317.477 2.290 20 0 DEADHO CN(C)CCN1CCC([NH2+]Cc2cccc3c2CCC3)CC1 ZINC000651675420 425142985 /nfs/dbraw/zinc/14/29/85/425142985.db2.gz SIVCFCRFUYBGEQ-UHFFFAOYSA-N 1 3 301.478 2.291 20 0 DEADHO COC[C@H](CC(C)(C)C)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000651709362 425144174 /nfs/dbraw/zinc/14/41/74/425144174.db2.gz UFYFALXQTFKWRZ-CVEARBPZSA-N 1 3 311.514 2.196 20 0 DEADHO C(c1nc2c(s1)CNCC2)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000663498870 425173345 /nfs/dbraw/zinc/17/33/45/425173345.db2.gz UYTDAVZFWIJKRZ-AWEZNQCLSA-N 1 3 320.506 2.000 20 0 DEADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000660633054 425183473 /nfs/dbraw/zinc/18/34/73/425183473.db2.gz BFEPYXASWLHYIU-CABCVRRESA-N 1 3 310.486 2.033 20 0 DEADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000660633054 425183477 /nfs/dbraw/zinc/18/34/77/425183477.db2.gz BFEPYXASWLHYIU-CABCVRRESA-N 1 3 310.486 2.033 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NCc1ccccc1C[NH2+]C ZINC000652150463 425197150 /nfs/dbraw/zinc/19/71/50/425197150.db2.gz XOOHZMLVXUYNSM-QGZVFWFLSA-N 1 3 318.465 2.080 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(Cl)cc2-n2cncn2)C1 ZINC000666853883 425197328 /nfs/dbraw/zinc/19/73/28/425197328.db2.gz DGZNJYLKDYJYCE-ZIAGYGMSSA-N 1 3 305.813 2.280 20 0 DEADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652147938 425197740 /nfs/dbraw/zinc/19/77/40/425197740.db2.gz HSHKIKYAORZCKP-CBZIJGRNSA-N 1 3 322.497 2.020 20 0 DEADHO CCC[N@H+](C)CC(C)(C)NC(=O)NCCN1CCC[C@H](C)C1 ZINC000663630176 425202223 /nfs/dbraw/zinc/20/22/23/425202223.db2.gz NGAYXHNKNNUIEL-HNNXBMFYSA-N 1 3 312.502 2.138 20 0 DEADHO CCC[N@@H+](C)CC(C)(C)NC(=O)NCCN1CCC[C@H](C)C1 ZINC000663630176 425202227 /nfs/dbraw/zinc/20/22/27/425202227.db2.gz NGAYXHNKNNUIEL-HNNXBMFYSA-N 1 3 312.502 2.138 20 0 DEADHO CN(C)[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000666664530 425156185 /nfs/dbraw/zinc/15/61/85/425156185.db2.gz GVLCQBFWAPWSMA-NVXWUHKLSA-N 1 3 322.497 2.129 20 0 DEADHO CN(C)[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000666664530 425156189 /nfs/dbraw/zinc/15/61/89/425156189.db2.gz GVLCQBFWAPWSMA-NVXWUHKLSA-N 1 3 322.497 2.129 20 0 DEADHO CCN1C[C@H](C[NH2+]C2CCN([C@H]3CCCC[C@@H]3C)CC2)CC1=O ZINC000652015769 425162888 /nfs/dbraw/zinc/16/28/88/425162888.db2.gz LJSGBZCVEKBBBP-BQFCYCMXSA-N 1 3 321.509 2.488 20 0 DEADHO CCN1C[C@H](CNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CC1=O ZINC000652015769 425162892 /nfs/dbraw/zinc/16/28/92/425162892.db2.gz LJSGBZCVEKBBBP-BQFCYCMXSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H](CO)CCF)CC1 ZINC000652018523 425163121 /nfs/dbraw/zinc/16/31/21/425163121.db2.gz WBPWDNVRNIVPKQ-MAUKXSAKSA-N 1 3 308.441 2.392 20 0 DEADHO C[NH2+]Cc1ccccc1CNC(=O)N(CCN(C)C)CC(C)C ZINC000652283385 425231040 /nfs/dbraw/zinc/23/10/40/425231040.db2.gz FZJZHYLBYFBNRU-UHFFFAOYSA-N 1 3 320.481 2.135 20 0 DEADHO [NH3+]C[C@]12CCC[C@H]1CN([C@H]1CCCN(c3ccccc3)C1=O)C2 ZINC000652352036 425244670 /nfs/dbraw/zinc/24/46/70/425244670.db2.gz XPROUBNRWKKRMQ-IEZWGBDMSA-N 1 3 313.445 2.243 20 0 DEADHO NC[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCCN(c3ccccc3)C1=O)C2 ZINC000652352036 425244675 /nfs/dbraw/zinc/24/46/75/425244675.db2.gz XPROUBNRWKKRMQ-IEZWGBDMSA-N 1 3 313.445 2.243 20 0 DEADHO NC[C@]12CCC[C@H]1C[N@H+]([C@H]1CCCN(c3ccccc3)C1=O)C2 ZINC000652352036 425244679 /nfs/dbraw/zinc/24/46/79/425244679.db2.gz XPROUBNRWKKRMQ-IEZWGBDMSA-N 1 3 313.445 2.243 20 0 DEADHO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C)[C@@H]2CCN)cc1 ZINC000652354753 425247505 /nfs/dbraw/zinc/24/75/05/425247505.db2.gz HHUYXSUURZNDGE-PBHICJAKSA-N 1 3 319.449 2.473 20 0 DEADHO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C)[C@@H]2CCN)cc1 ZINC000652354753 425247507 /nfs/dbraw/zinc/24/75/07/425247507.db2.gz HHUYXSUURZNDGE-PBHICJAKSA-N 1 3 319.449 2.473 20 0 DEADHO COc1ccc(NC(=O)CCN2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1 ZINC000652354753 425247510 /nfs/dbraw/zinc/24/75/10/425247510.db2.gz HHUYXSUURZNDGE-PBHICJAKSA-N 1 3 319.449 2.473 20 0 DEADHO C[C@@H](CNC(=O)NC[C@@H]1CCN1C(C)(C)C)C[NH+]1CCCCC1 ZINC000660833006 425249583 /nfs/dbraw/zinc/24/95/83/425249583.db2.gz JHKJFGMOSJVUSQ-HOTGVXAUSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H](CNC(=O)N[C@H](C)CN1CCC(C)CC1)C[NH+]1CCCC1 ZINC000660830805 425249868 /nfs/dbraw/zinc/24/98/68/425249868.db2.gz YXNUYMHGZVFEEM-IAGOWNOFSA-N 1 3 324.513 2.138 20 0 DEADHO CCN(C(=O)NC[C@H](C)[NH+]1CCC(C)CC1)[C@H]1CCN(CC)C1 ZINC000663848281 425250206 /nfs/dbraw/zinc/25/02/06/425250206.db2.gz CWZRMKVULNUAMS-IRXDYDNUSA-N 1 3 324.513 2.233 20 0 DEADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000660842192 425252433 /nfs/dbraw/zinc/25/24/33/425252433.db2.gz VAOCHVKPOBZICS-SJORKVTESA-N 1 3 324.513 2.138 20 0 DEADHO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000660842192 425252437 /nfs/dbraw/zinc/25/24/37/425252437.db2.gz VAOCHVKPOBZICS-SJORKVTESA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N(C)C1CC1 ZINC000660854816 425259060 /nfs/dbraw/zinc/25/90/60/425259060.db2.gz DUCBLAGETVXJCH-HUUCEWRRSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)N(C)C1CC1 ZINC000660854816 425259063 /nfs/dbraw/zinc/25/90/63/425259063.db2.gz DUCBLAGETVXJCH-HUUCEWRRSA-N 1 3 322.497 2.175 20 0 DEADHO CC[N@H+](CCCNC(=O)N1C[C@H](C)NC[C@@H]1C)C1CCCCC1 ZINC000652227916 425218473 /nfs/dbraw/zinc/21/84/73/425218473.db2.gz RDSWASWKWDZQAB-HOTGVXAUSA-N 1 3 324.513 2.423 20 0 DEADHO CC[N@@H+](CCCNC(=O)N1C[C@H](C)NC[C@@H]1C)C1CCCCC1 ZINC000652227916 425218478 /nfs/dbraw/zinc/21/84/78/425218478.db2.gz RDSWASWKWDZQAB-HOTGVXAUSA-N 1 3 324.513 2.423 20 0 DEADHO CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CCN(C)C1 ZINC000664151969 425316705 /nfs/dbraw/zinc/31/67/05/425316705.db2.gz SMTQJFGNQJIEIP-GJZGRUSLSA-N 1 3 312.502 2.088 20 0 DEADHO CC[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)CO1 ZINC000657389349 425321680 /nfs/dbraw/zinc/32/16/80/425321680.db2.gz KLICUESPKSUJGF-IEBWSBKVSA-N 1 3 318.461 2.300 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000654351394 425330689 /nfs/dbraw/zinc/33/06/89/425330689.db2.gz ZXKVLLSQVCFKKN-SJORKVTESA-N 1 3 322.497 2.175 20 0 DEADHO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654374258 425336891 /nfs/dbraw/zinc/33/68/91/425336891.db2.gz VOYPVFYBVKRAOI-OAGGEKHMSA-N 1 3 310.486 2.033 20 0 DEADHO CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000654374268 425337142 /nfs/dbraw/zinc/33/71/42/425337142.db2.gz VWCTXXYXGBIZFE-OAHLLOKOSA-N 1 3 312.502 2.233 20 0 DEADHO C[NH+](C)CC1CCC(NC(=O)NC[C@H]2CCN2C(C)(C)C)CC1 ZINC000660941183 425282204 /nfs/dbraw/zinc/28/22/04/425282204.db2.gz UJGBICKPJMFAAN-UYSNPLJNSA-N 1 3 324.513 2.279 20 0 DEADHO c1cn(Cc2ccccc2CNCc2cnc3n2CCC3)cn1 ZINC000657306208 425297998 /nfs/dbraw/zinc/29/79/98/425297998.db2.gz ZESKXNYEEMEWPK-UHFFFAOYSA-N 1 3 307.401 2.364 20 0 DEADHO C[NH2+]Cc1cccc(NC(=O)N(C)CCN2CCCCC2)c1 ZINC000652610610 425301945 /nfs/dbraw/zinc/30/19/45/425301945.db2.gz FLMGMRWBFLZQKT-UHFFFAOYSA-N 1 3 304.438 2.356 20 0 DEADHO CN(C)CCC[N@H+](C)CCNc1cc(Br)ccn1 ZINC000664247935 425345036 /nfs/dbraw/zinc/34/50/36/425345036.db2.gz KPVQGHKZCXHYRN-UHFFFAOYSA-N 1 3 315.259 2.140 20 0 DEADHO CN(C)CCC[N@@H+](C)CCNc1cc(Br)ccn1 ZINC000664247935 425345040 /nfs/dbraw/zinc/34/50/40/425345040.db2.gz KPVQGHKZCXHYRN-UHFFFAOYSA-N 1 3 315.259 2.140 20 0 DEADHO CC1CCC(N2CCN(C(=O)[C@H]3CCC[NH2+]CC3)CC2)CC1 ZINC000653120420 425410162 /nfs/dbraw/zinc/41/01/62/425410162.db2.gz QJTJHMFAUAKFEE-CGZBRXJRSA-N 1 3 307.482 2.099 20 0 DEADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000653120357 425410256 /nfs/dbraw/zinc/41/02/56/425410256.db2.gz PAYWEGZKCGWBLE-MSOLQXFVSA-N 1 3 315.461 2.157 20 0 DEADHO NC[C@@H](NC(=O)[C@@H]1CCC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000653135593 425414180 /nfs/dbraw/zinc/41/41/80/425414180.db2.gz JKDKBYGOPQPYLT-CRAIPNDOSA-N 1 3 311.429 2.346 20 0 DEADHO C[C@H](NC(=O)N[C@H]1CCCN2CCCC[C@H]12)C(C)(C)C[NH+](C)C ZINC000654482233 425365436 /nfs/dbraw/zinc/36/54/36/425365436.db2.gz DNQGQLGMZXNDOG-HRCADAONSA-N 1 3 324.513 2.279 20 0 DEADHO Cc1ccc2ncc(CN[C@@H](C)CN(C)CCC[NH+](C)C)n2c1 ZINC000657573396 425368040 /nfs/dbraw/zinc/36/80/40/425368040.db2.gz LLNNVPSHUZMNIZ-INIZCTEOSA-N 1 3 317.481 2.004 20 0 DEADHO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)C1 ZINC000657595626 425371280 /nfs/dbraw/zinc/37/12/80/425371280.db2.gz IZFDPNUGEQXDLE-GUDVDZBRSA-N 1 3 318.461 2.300 20 0 DEADHO O[C@H]1CCN(Cc2ccc(C[NH2+][C@@H]3CCCSC3)cc2)C1 ZINC000657597694 425373217 /nfs/dbraw/zinc/37/32/17/425373217.db2.gz WOGZUXNTVMVRNV-SJORKVTESA-N 1 3 306.475 2.238 20 0 DEADHO COC1(C[NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)CCCC1 ZINC000657596391 425373287 /nfs/dbraw/zinc/37/32/87/425373287.db2.gz MWDSYDJLZJGAOS-GOSISDBHSA-N 1 3 318.461 2.302 20 0 DEADHO CN(CCN1CCCCC1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000652991244 425373616 /nfs/dbraw/zinc/37/36/16/425373616.db2.gz WBRYOGRALDSLND-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO C[NH+](C)CCOc1ccc(CNCCO[C@H]2CC2(F)F)cc1 ZINC000657619592 425377212 /nfs/dbraw/zinc/37/72/12/425377212.db2.gz XSHDPYYMRCMPQH-HNNXBMFYSA-N 1 3 314.376 2.141 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654566369 425384942 /nfs/dbraw/zinc/38/49/42/425384942.db2.gz AWUXNNJLJOTFBP-BBWFWOEESA-N 1 3 324.513 2.423 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654566369 425384947 /nfs/dbraw/zinc/38/49/47/425384947.db2.gz AWUXNNJLJOTFBP-BBWFWOEESA-N 1 3 324.513 2.423 20 0 DEADHO COC1([C@@H](C)[NH2+]Cc2ccnc(OCCN(C)C)c2)CCC1 ZINC000657937827 425420101 /nfs/dbraw/zinc/42/01/01/425420101.db2.gz VQGKTBORPKUIPP-CQSZACIVSA-N 1 3 307.438 2.069 20 0 DEADHO CCN(C(=O)NCC[C@@H](C)[NH+]1CCCCC1)[C@H]1CCN(CC)C1 ZINC000664643702 425430131 /nfs/dbraw/zinc/43/01/31/425430131.db2.gz UTARFOWRURABOB-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO CN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1CCN(C2CC2)C1 ZINC000654773026 425440071 /nfs/dbraw/zinc/44/00/71/425440071.db2.gz KRYXSNRLLNAYLC-SFHVURJKSA-N 1 3 315.461 2.099 20 0 DEADHO COCCC[C@H](C)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658138243 425444059 /nfs/dbraw/zinc/44/40/59/425444059.db2.gz JBXAXQHUHARDRR-MAUKXSAKSA-N 1 3 306.450 2.158 20 0 DEADHO COC1([C@@H](C)[NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)CCC1 ZINC000658141656 425444084 /nfs/dbraw/zinc/44/40/84/425444084.db2.gz XLOZMKCMMCZNIW-QAPCUYQASA-N 1 3 318.461 2.300 20 0 DEADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccnc1 ZINC000658138778 425444538 /nfs/dbraw/zinc/44/45/38/425444538.db2.gz NZBLJEALEJXAJW-HNAYVOBHSA-N 1 3 311.429 2.499 20 0 DEADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccnc1 ZINC000658138778 425444542 /nfs/dbraw/zinc/44/45/42/425444542.db2.gz NZBLJEALEJXAJW-HNAYVOBHSA-N 1 3 311.429 2.499 20 0 DEADHO C[C@@H](CCCCO)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168425 425449916 /nfs/dbraw/zinc/44/99/16/425449916.db2.gz XBGVYPNQQPGFOB-INIZCTEOSA-N 1 3 305.466 2.434 20 0 DEADHO CCCN1CC[C@H]([NH2+][C@H]2CCN(CCCOCC)C[C@@H]2C)C1 ZINC000658286460 425466310 /nfs/dbraw/zinc/46/63/10/425466310.db2.gz AEHAQNIJFWLVBI-BZSNNMDCSA-N 1 3 311.514 2.197 20 0 DEADHO C[C@@H](CC(N)=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658319818 425473300 /nfs/dbraw/zinc/47/33/00/425473300.db2.gz JETQUBHTGPNWQI-DOTOQJQBSA-N 1 3 315.461 2.142 20 0 DEADHO C[C@@H](CC(N)=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658319818 425473305 /nfs/dbraw/zinc/47/33/05/425473305.db2.gz JETQUBHTGPNWQI-DOTOQJQBSA-N 1 3 315.461 2.142 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CCCC(CC)(CC)C2)CC1 ZINC000661673486 425475672 /nfs/dbraw/zinc/47/56/72/425475672.db2.gz CLZJGBJXOAQNMM-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO C[N@H+](C[C@H](O)CN[C@@H]1C[C@H](OC(C)(C)C)C12CCC2)C1CC1 ZINC000661839829 425511256 /nfs/dbraw/zinc/51/12/56/425511256.db2.gz KPWBABGHWUGUBC-OAGGEKHMSA-N 1 3 310.482 2.157 20 0 DEADHO C[N@@H+](C[C@H](O)CN[C@@H]1C[C@H](OC(C)(C)C)C12CCC2)C1CC1 ZINC000661839829 425511260 /nfs/dbraw/zinc/51/12/60/425511260.db2.gz KPWBABGHWUGUBC-OAGGEKHMSA-N 1 3 310.482 2.157 20 0 DEADHO CCCN1CC[C@H](NC(=O)Nc2cccc(C[NH2+]CC)c2)C1 ZINC000659018041 425521147 /nfs/dbraw/zinc/52/11/47/425521147.db2.gz DADLQQICPJEAPZ-INIZCTEOSA-N 1 3 304.438 2.402 20 0 DEADHO C[C@H]([NH2+]CC1(N)CCCC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000665248154 425528382 /nfs/dbraw/zinc/52/83/82/425528382.db2.gz QHYVMKZEAXAMFS-WMZOPIPTSA-N 1 3 317.477 2.310 20 0 DEADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H]2CN(C)C[C@@H]2C)cc1 ZINC000665255296 425531325 /nfs/dbraw/zinc/53/13/25/425531325.db2.gz OEJJGEONIZWMCB-QZHFEQFPSA-N 1 3 317.477 2.071 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000655410707 425557249 /nfs/dbraw/zinc/55/72/49/425557249.db2.gz AIAXHDSEEOQQEX-IKGGRYGDSA-N 1 3 307.482 2.384 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000655410707 425557255 /nfs/dbraw/zinc/55/72/55/425557255.db2.gz AIAXHDSEEOQQEX-IKGGRYGDSA-N 1 3 307.482 2.384 20 0 DEADHO COc1ccnc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1OC ZINC000662273031 425610381 /nfs/dbraw/zinc/61/03/81/425610381.db2.gz JSIQVRQXUPZWQL-LSDHHAIUSA-N 1 3 319.449 2.310 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)CC[NH2+]C1CC1)c1ccsc1 ZINC000655444929 425568741 /nfs/dbraw/zinc/56/87/41/425568741.db2.gz YGUVOXFQHIZQDT-HNNXBMFYSA-N 1 3 309.479 2.389 20 0 DEADHO CN(CCC[NH+]1CCC(N2CC[C@H](O)C2)CC1)c1ccccc1 ZINC000662147408 425575714 /nfs/dbraw/zinc/57/57/14/425575714.db2.gz FVZJDHFMMQELRU-IBGZPJMESA-N 1 3 317.477 2.044 20 0 DEADHO Cc1cccc(CCC[NH+]2CCC(N3CC[C@@H](O)C3)CC2)c1 ZINC000662153024 425577661 /nfs/dbraw/zinc/57/76/61/425577661.db2.gz MGEZVGYIRRIYCX-LJQANCHMSA-N 1 3 302.462 2.459 20 0 DEADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@@H](F)[C@H](N)C2)cc1 ZINC000659389253 425592524 /nfs/dbraw/zinc/59/25/24/425592524.db2.gz RDPWQSUOGGUOBO-IAGOWNOFSA-N 1 3 321.440 2.430 20 0 DEADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@@H](F)[C@H](N)C2)cc1 ZINC000659389253 425592528 /nfs/dbraw/zinc/59/25/28/425592528.db2.gz RDPWQSUOGGUOBO-IAGOWNOFSA-N 1 3 321.440 2.430 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665552673 425594185 /nfs/dbraw/zinc/59/41/85/425594185.db2.gz GOHBWFSTAQMXOJ-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665552673 425594188 /nfs/dbraw/zinc/59/41/88/425594188.db2.gz GOHBWFSTAQMXOJ-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO Cc1ccc(OC2CCN(C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000662252200 425601918 /nfs/dbraw/zinc/60/19/18/425601918.db2.gz MRUCYGAYFHMGMH-SFHVURJKSA-N 1 3 316.445 2.359 20 0 DEADHO C[C@@H](NC(=O)C[C@H]1NCc2ccccc21)C(C)(C)C[NH+](C)C ZINC000662474015 425660061 /nfs/dbraw/zinc/66/00/61/425660061.db2.gz PSXCVIRLLBXZLY-CZUORRHYSA-N 1 3 303.450 2.314 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCCN(C[C@H]3CCCO3)CC2)C1 ZINC000659837916 425666347 /nfs/dbraw/zinc/66/63/47/425666347.db2.gz ILJMOECVBBBCSW-GUDVDZBRSA-N 1 3 323.525 2.151 20 0 DEADHO CCC(C)(C)NC(=O)[C@@H](C)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290845 425614370 /nfs/dbraw/zinc/61/43/70/425614370.db2.gz LUYWBGUCQCFWJI-ZBFHGGJFSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@]1(c2cccc(F)c2)CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662285822 425614793 /nfs/dbraw/zinc/61/47/93/425614793.db2.gz NLSCQBAXYSENKJ-IRXDYDNUSA-N 1 3 304.409 2.310 20 0 DEADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N(C)CC(C)(C)[NH3+])N(C)C ZINC000659492102 425615465 /nfs/dbraw/zinc/61/54/65/425615465.db2.gz JBGVPIRRWMNGSG-GDBMZVCRSA-N 1 3 320.481 2.365 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@@H](C)[C@@H]2CCO)cc1 ZINC000662302877 425619662 /nfs/dbraw/zinc/61/96/62/425619662.db2.gz PAUFJSLWCBTHRA-KYJSFNMBSA-N 1 3 306.450 2.220 20 0 DEADHO C([C@@H]1CCCO1)N1CCC([NH2+]C2CCN(C3CCC3)CC2)CC1 ZINC000655702017 425633232 /nfs/dbraw/zinc/63/32/32/425633232.db2.gz NIESTSLQTNNWOX-IBGZPJMESA-N 1 3 321.509 2.236 20 0 DEADHO C([C@H]1CCCO1)N1CCC([NH2+]C2CCN(C3CCC3)CC2)CC1 ZINC000655702018 425633330 /nfs/dbraw/zinc/63/33/30/425633330.db2.gz NIESTSLQTNNWOX-LJQANCHMSA-N 1 3 321.509 2.236 20 0 DEADHO CCCN1CC[C@@H](NC(=O)N(CCC[NH3+])CC2CCCC2)C1 ZINC000659610162 425636735 /nfs/dbraw/zinc/63/67/35/425636735.db2.gz LVYWCLFPHGMBAU-MRXNPFEDSA-N 1 3 310.486 2.021 20 0 DEADHO CC(C)C[C@H](C[NH3+])CC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000662397242 425642033 /nfs/dbraw/zinc/64/20/33/425642033.db2.gz AJFANCQHZVUSIL-ZWKOTPCHSA-N 1 3 319.493 2.287 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1[C@@H]2CC[C@H]1CC(C)C2 ZINC000665764817 425642535 /nfs/dbraw/zinc/64/25/35/425642535.db2.gz QNZLIKMLLNDGIK-YNBOMUFVSA-N 1 3 324.513 2.231 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1[C@@H]2CC[C@H]1CC(C)C2 ZINC000665764817 425642539 /nfs/dbraw/zinc/64/25/39/425642539.db2.gz QNZLIKMLLNDGIK-YNBOMUFVSA-N 1 3 324.513 2.231 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662788349 425734987 /nfs/dbraw/zinc/73/49/87/425734987.db2.gz JIBNRFDRQVYABX-KRWDZBQOSA-N 1 3 317.477 2.485 20 0 DEADHO O=C(N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1(NC2CC2)CCC1 ZINC000662805889 425740558 /nfs/dbraw/zinc/74/05/58/425740558.db2.gz OJZWLRRABQOAJF-WMLDXEAASA-N 1 3 317.477 2.136 20 0 DEADHO O=C(N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1(NC2CC2)CCC1 ZINC000662805889 425740561 /nfs/dbraw/zinc/74/05/61/425740561.db2.gz OJZWLRRABQOAJF-WMLDXEAASA-N 1 3 317.477 2.136 20 0 DEADHO O=C(Nc1ccc2c(c1)CNC2)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655909168 425682410 /nfs/dbraw/zinc/68/24/10/425682410.db2.gz BILKRKDNGJUOFU-SJORKVTESA-N 1 3 314.433 2.428 20 0 DEADHO O=C(Nc1ccc2c(c1)CNC2)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655909168 425682415 /nfs/dbraw/zinc/68/24/15/425682415.db2.gz BILKRKDNGJUOFU-SJORKVTESA-N 1 3 314.433 2.428 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662589290 425687097 /nfs/dbraw/zinc/68/70/97/425687097.db2.gz HSIXBAQFZGPEBL-IRXDYDNUSA-N 1 3 307.482 2.099 20 0 DEADHO CN(CC(C)(C)[NH3+])C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000662605309 425691397 /nfs/dbraw/zinc/69/13/97/425691397.db2.gz MNMZNQUJIAXWOK-OAHLLOKOSA-N 1 3 321.440 2.233 20 0 DEADHO O=C(N[C@@H]1CCN(C2CCCCC2)C1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000662669438 425707265 /nfs/dbraw/zinc/70/72/65/425707265.db2.gz ZEOJRGYGWONYHU-OIISXLGYSA-N 1 3 305.466 2.040 20 0 DEADHO C[C@H](CNC(=O)c1cccc2c1CCNC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000662679550 425710625 /nfs/dbraw/zinc/71/06/25/425710625.db2.gz QGUBTJMROQXNML-HUUCEWRRSA-N 1 3 315.461 2.183 20 0 DEADHO C[C@H](CNC(=O)c1cccc2c1CCNC2)[N@H+]1CCC[C@@H](C)C1 ZINC000662679550 425710628 /nfs/dbraw/zinc/71/06/28/425710628.db2.gz QGUBTJMROQXNML-HUUCEWRRSA-N 1 3 315.461 2.183 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)C2(N)CC3(CCC3)C2)CC1 ZINC000662683750 425711667 /nfs/dbraw/zinc/71/16/67/425711667.db2.gz SSFDBUXKDXPWKU-UHFFFAOYSA-N 1 3 307.482 2.276 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C1(N)CC2(CCC2)C1 ZINC000662682086 425712842 /nfs/dbraw/zinc/71/28/42/425712842.db2.gz DKVXOKJYCCWFTJ-OAHLLOKOSA-N 1 3 307.482 2.419 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C1(N)CC2(CCC2)C1 ZINC000662682086 425712848 /nfs/dbraw/zinc/71/28/48/425712848.db2.gz DKVXOKJYCCWFTJ-OAHLLOKOSA-N 1 3 307.482 2.419 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000662698911 425715392 /nfs/dbraw/zinc/71/53/92/425715392.db2.gz UYLIVVPQCCBGLC-AEFFLSMTSA-N 1 3 313.445 2.308 20 0 DEADHO C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000662833793 425744621 /nfs/dbraw/zinc/74/46/21/425744621.db2.gz ADGVKBXYGDLTHL-XKQJLSEDSA-N 1 3 301.434 2.453 20 0 DEADHO CN1CCC[C@@H](CNC(=O)CC2([NH3+])CC2)[C@H]1c1cccs1 ZINC000662745216 425727559 /nfs/dbraw/zinc/72/75/59/425727559.db2.gz JTNQJVNLQLIEFV-WFASDCNBSA-N 1 3 307.463 2.129 20 0 DEADHO C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000662966120 425767448 /nfs/dbraw/zinc/76/74/48/425767448.db2.gz PLYMERXNUIVQMX-HZPDHXFCSA-N 1 3 317.477 2.054 20 0 DEADHO CC[C@@](C)(N)c1cn(C[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656468684 425776846 /nfs/dbraw/zinc/77/68/46/425776846.db2.gz RAXHPMLNXYGWCI-FUHWJXTLSA-N 1 3 313.449 2.384 20 0 DEADHO CC[C@@](C)(N)c1cn(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656468684 425776851 /nfs/dbraw/zinc/77/68/51/425776851.db2.gz RAXHPMLNXYGWCI-FUHWJXTLSA-N 1 3 313.449 2.384 20 0 DEADHO C[C@H]1CCCCN1CCNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000656538899 425788178 /nfs/dbraw/zinc/78/81/78/425788178.db2.gz JYRHTFHGVXMPOA-LSDHHAIUSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H]1CCCCN1CCNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000656538899 425788181 /nfs/dbraw/zinc/78/81/81/425788181.db2.gz JYRHTFHGVXMPOA-LSDHHAIUSA-N 1 3 310.486 2.033 20 0 DEADHO CC[C@H]1c2ccccc2CC[N@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000666640929 425793840 /nfs/dbraw/zinc/79/38/40/425793840.db2.gz AALNWGWIXMGATN-QAPCUYQASA-N 1 3 315.461 2.193 20 0 DEADHO CC[C@H]1c2ccccc2CC[N@@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000666640929 425793842 /nfs/dbraw/zinc/79/38/42/425793842.db2.gz AALNWGWIXMGATN-QAPCUYQASA-N 1 3 315.461 2.193 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)N(CC)CC ZINC000662842222 425747335 /nfs/dbraw/zinc/74/73/35/425747335.db2.gz NSEQBLWLVUIFHB-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO NC1(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC2(CCC2)C1 ZINC000662878158 425754673 /nfs/dbraw/zinc/75/46/73/425754673.db2.gz OVQSERYEWVNILF-CQSZACIVSA-N 1 3 305.466 2.171 20 0 DEADHO NC1(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC2(CCC2)C1 ZINC000662878158 425754676 /nfs/dbraw/zinc/75/46/76/425754676.db2.gz OVQSERYEWVNILF-CQSZACIVSA-N 1 3 305.466 2.171 20 0 DEADHO COc1cc2nccc(N3CC[C@@H]4CC[NH2+][C@H]4C3)c2cc1OC ZINC000663240609 425820697 /nfs/dbraw/zinc/82/06/97/425820697.db2.gz WMJCZEIOAZBKEX-WFASDCNBSA-N 1 3 313.401 2.440 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CCO1 ZINC000397680730 269107046 /nfs/dbraw/zinc/10/70/46/269107046.db2.gz LPIKJAHGJSKLIX-WMZOPIPTSA-N 1 3 318.461 2.171 20 0 DEADHO [NH3+][C@@H](C(=O)NC[C@@H](c1ccccc1)N1CCCC1)C1CCC1 ZINC000398952737 269109771 /nfs/dbraw/zinc/10/97/71/269109771.db2.gz CWOJUAUEWWTISU-DLBZAZTESA-N 1 3 301.434 2.067 20 0 DEADHO N[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000399245826 269111274 /nfs/dbraw/zinc/11/12/74/269111274.db2.gz VWCQOLGBVXYLTK-GOSISDBHSA-N 1 3 315.461 2.142 20 0 DEADHO CCCC[N@H+](C)CCNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433928520 269135585 /nfs/dbraw/zinc/13/55/85/269135585.db2.gz AODMXPYSFNKNQA-MRXNPFEDSA-N 1 3 310.486 2.034 20 0 DEADHO CCCC[N@@H+](C)CCNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433928520 269135586 /nfs/dbraw/zinc/13/55/86/269135586.db2.gz AODMXPYSFNKNQA-MRXNPFEDSA-N 1 3 310.486 2.034 20 0 DEADHO CN(C)C[C@@H]1CC[N@H+](CC2(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000495924249 269185116 /nfs/dbraw/zinc/18/51/16/269185116.db2.gz AFVWNABKZLVONS-AWEZNQCLSA-N 1 3 311.470 2.175 20 0 DEADHO CN(C)C[C@@H]1CC[N@@H+](CC2(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000495924249 269185118 /nfs/dbraw/zinc/18/51/18/269185118.db2.gz AFVWNABKZLVONS-AWEZNQCLSA-N 1 3 311.470 2.175 20 0 DEADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)N[C@@H](C)CN(C)C ZINC000512432918 269321327 /nfs/dbraw/zinc/32/13/27/269321327.db2.gz UXCOFSGRNGLFPQ-ARFHVFGLSA-N 1 3 312.502 2.136 20 0 DEADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)COc1ccccc1 ZINC000516643010 269366859 /nfs/dbraw/zinc/36/68/59/269366859.db2.gz SVSJUDXVDVFTOI-OQIJWPOYSA-N 1 3 318.461 2.327 20 0 DEADHO CCN1CCC([N@@H+]2CCCN(Cc3cnc(C)s3)CC2)CC1 ZINC000420979209 276149833 /nfs/dbraw/zinc/14/98/33/276149833.db2.gz KBECGLQDNZTCJQ-UHFFFAOYSA-N 1 3 322.522 2.444 20 0 DEADHO CCN1CCC([N@H+]2CCCN(Cc3cnc(C)s3)CC2)CC1 ZINC000420979209 276149834 /nfs/dbraw/zinc/14/98/34/276149834.db2.gz KBECGLQDNZTCJQ-UHFFFAOYSA-N 1 3 322.522 2.444 20 0 DEADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3C[C@@H](C)CCN3)C2)CC1 ZINC000423361338 276198254 /nfs/dbraw/zinc/19/82/54/276198254.db2.gz RQUGRCAQMDGINF-BZSNNMDCSA-N 1 3 321.509 2.345 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+][C@@H]2CCO[C@@H](C)C2)CC1 ZINC000354709058 276388677 /nfs/dbraw/zinc/38/86/77/276388677.db2.gz PSOJJLBCHZMJSI-FUHWJXTLSA-N 1 3 317.477 2.486 20 0 DEADHO CN(C)C/C=C\C(=O)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000493779645 276750856 /nfs/dbraw/zinc/75/08/56/276750856.db2.gz CRJYXIGWQZHZON-FLIBITNWSA-N 1 3 307.482 2.361 20 0 DEADHO CC(=O)NCCc1ccc([C@H](C)[NH2+][C@H]2CCNC[C@H]2C)cc1 ZINC000423389328 277034602 /nfs/dbraw/zinc/03/46/02/277034602.db2.gz JIKPZPAZQIASLJ-GLJUWKHASA-N 1 3 303.450 2.014 20 0 DEADHO CNC(=O)C[C@H](C)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272328978 277233302 /nfs/dbraw/zinc/23/33/02/277233302.db2.gz MOJWDMYKKYMSNQ-ZMSDIMECSA-N 1 3 303.450 2.011 20 0 DEADHO CNC(=O)C[C@H](C)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272328978 277233304 /nfs/dbraw/zinc/23/33/04/277233304.db2.gz MOJWDMYKKYMSNQ-ZMSDIMECSA-N 1 3 303.450 2.011 20 0 DEADHO CO[C@@H]1C[C@H]([N@H+](C)CCCN2CCN(C(C)C)CC2)C12CCC2 ZINC000451861426 277311274 /nfs/dbraw/zinc/31/12/74/277311274.db2.gz XMCYVSQMPZIBEX-ZWKOTPCHSA-N 1 3 323.525 2.292 20 0 DEADHO CO[C@@H]1C[C@H]([N@@H+](C)CCCN2CCN(C(C)C)CC2)C12CCC2 ZINC000451861426 277311275 /nfs/dbraw/zinc/31/12/75/277311275.db2.gz XMCYVSQMPZIBEX-ZWKOTPCHSA-N 1 3 323.525 2.292 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)N[C@@H](C)C2=CCN(C)CC2)CC1 ZINC000357818665 277384824 /nfs/dbraw/zinc/38/48/24/277384824.db2.gz TUJLUKHFJSXBCU-HNNXBMFYSA-N 1 3 322.497 2.056 20 0 DEADHO C[C@@H](CNC(=O)c1ccc2c(c1)CNC2)C[NH+]1CCCCC1 ZINC000317187089 277586596 /nfs/dbraw/zinc/58/65/96/277586596.db2.gz WQGURMYKZVZZBI-AWEZNQCLSA-N 1 3 301.434 2.142 20 0 DEADHO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420317938 278133990 /nfs/dbraw/zinc/13/39/90/278133990.db2.gz PGOBNGPGFBFWTG-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO CC(CCN(C1CC1)C1COC1)CC[N@H+](C1CC1)C1COC1 ZINC000411768329 278155576 /nfs/dbraw/zinc/15/55/76/278155576.db2.gz HUTGTJYXKIZGRZ-UHFFFAOYSA-N 1 3 308.466 2.129 20 0 DEADHO CC(CCN(C1CC1)C1COC1)CC[N@@H+](C1CC1)C1COC1 ZINC000411768329 278155577 /nfs/dbraw/zinc/15/55/77/278155577.db2.gz HUTGTJYXKIZGRZ-UHFFFAOYSA-N 1 3 308.466 2.129 20 0 DEADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000261532950 278241696 /nfs/dbraw/zinc/24/16/96/278241696.db2.gz ARJZTYNFKRWVSW-YJBOKZPZSA-N 1 3 303.450 2.013 20 0 DEADHO CC(C)C1CCC(N2CCN(C(=O)CC3(C[NH3+])CC3)CC2)CC1 ZINC000423435086 278708797 /nfs/dbraw/zinc/70/87/97/278708797.db2.gz OQXRHFBDFHOXBN-UHFFFAOYSA-N 1 3 321.509 2.474 20 0 DEADHO CCC[NH2+][C@@H](C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000449082313 278842584 /nfs/dbraw/zinc/84/25/84/278842584.db2.gz MIUVAYPKECGOGD-RDJZCZTQSA-N 1 3 303.450 2.328 20 0 DEADHO CCN(C(=O)[C@@H]1CC[NH2+]C1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000237034668 279007266 /nfs/dbraw/zinc/00/72/66/279007266.db2.gz SSTNNHKYPJMOCI-CGTJXYLNSA-N 1 3 315.461 2.280 20 0 DEADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(CS(C)(=O)=O)cc1 ZINC000125739727 288104809 /nfs/dbraw/zinc/10/48/09/288104809.db2.gz ODNBPBQUMRWUPY-CPUCHLNUSA-N 1 3 324.490 2.050 20 0 DEADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]CCCN1CCOCC1 ZINC000348325868 279134027 /nfs/dbraw/zinc/13/40/27/279134027.db2.gz XJYHVRDTYNYKGP-MSOLQXFVSA-N 1 3 311.514 2.199 20 0 DEADHO C[C@H](C(=O)N1CCCCCC1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420335549 279191431 /nfs/dbraw/zinc/19/14/31/279191431.db2.gz HZCAAYOOJKMDJP-BRWVUGGUSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H](C(=O)N1CCc2ccccc2C1)N1CCC([C@H](C)[NH3+])CC1 ZINC000420302140 279206214 /nfs/dbraw/zinc/20/62/14/279206214.db2.gz WHAJYOYSNIMGNV-LSDHHAIUSA-N 1 3 315.461 2.019 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000353111698 279270451 /nfs/dbraw/zinc/27/04/51/279270451.db2.gz MTHKXPYTDXHMNO-ZACQAIPSSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H](C[NH+](C)C)NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000351825926 279278621 /nfs/dbraw/zinc/27/86/21/279278621.db2.gz CASDKNINGNCSAD-INMHGKMJSA-N 1 3 318.465 2.071 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000349959310 279281485 /nfs/dbraw/zinc/28/14/85/279281485.db2.gz IQAOHKOGSBTKGK-IRXDYDNUSA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000363598863 279288180 /nfs/dbraw/zinc/28/81/80/279288180.db2.gz DYMSGIFFGHMMPX-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO CCN1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000363598863 279288182 /nfs/dbraw/zinc/28/81/82/279288182.db2.gz DYMSGIFFGHMMPX-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000491006035 279376851 /nfs/dbraw/zinc/37/68/51/279376851.db2.gz RVGLYOAETRJBQM-YVSFHVDLSA-N 1 3 324.513 2.087 20 0 DEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000491006035 279376853 /nfs/dbraw/zinc/37/68/53/279376853.db2.gz RVGLYOAETRJBQM-YVSFHVDLSA-N 1 3 324.513 2.087 20 0 DEADHO CC(C)[C@@H](CNC(=O)N[C@@H](C)CN(C)C)[NH+]1CCCCCC1 ZINC000350255751 279845683 /nfs/dbraw/zinc/84/56/83/279845683.db2.gz TXKUURKTYRFFLU-JKSUJKDBSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2cnc(N(C)C)n2C)C1 ZINC000414292634 279987712 /nfs/dbraw/zinc/98/77/12/279987712.db2.gz UYKLCYMUOBGPHT-HOTGVXAUSA-N 1 3 321.513 2.334 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC2(CC[NH2+]C2)CC1)N1CCCCC1 ZINC000261876995 280143387 /nfs/dbraw/zinc/14/33/87/280143387.db2.gz SXFZHTLKJOLJBE-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000417700947 280249623 /nfs/dbraw/zinc/24/96/23/280249623.db2.gz LWCOJPOIBRHSNC-ARFHVFGLSA-N 1 3 310.486 2.162 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000417706889 280251958 /nfs/dbraw/zinc/25/19/58/280251958.db2.gz UMOWFDOVFURUCA-BZUAXINKSA-N 1 3 310.486 2.068 20 0 DEADHO CC[C@H](O)[C@H](CC)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423150362 281006197 /nfs/dbraw/zinc/00/61/97/281006197.db2.gz BSFFNMKZCARZQZ-UIBIWLFHSA-N 1 3 304.434 2.381 20 0 DEADHO C[NH+](C)C1(CNC(=O)[C@H]2CCCCN2C2CCCC2)CCC1 ZINC000451007116 282042154 /nfs/dbraw/zinc/04/21/54/282042154.db2.gz IYFVCDMWINEZIV-MRXNPFEDSA-N 1 3 307.482 2.384 20 0 DEADHO C[NH+](C)C1CCC(NC(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000420842286 282047913 /nfs/dbraw/zinc/04/79/13/282047913.db2.gz PZFVVJXCHHDWLR-VMBOVVBDSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC2(CC[NH2+]C2)CC1 ZINC000420347621 289247176 /nfs/dbraw/zinc/24/71/76/289247176.db2.gz YWRAJBRJPBPQJD-OAHLLOKOSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C)[C@@H]1CCCN(C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000418447382 289292178 /nfs/dbraw/zinc/29/21/78/289292178.db2.gz PJYFNSOQRVJQIC-MRXNPFEDSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCC2(C1)CC[NH2+]CC2 ZINC000358501863 289373222 /nfs/dbraw/zinc/37/32/22/289373222.db2.gz UFLBXUHMZUNCBM-VQHPVUNQSA-N 1 3 321.509 2.391 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000454616988 289565119 /nfs/dbraw/zinc/56/51/19/289565119.db2.gz KYGQQGWSHNARMA-OAHLLOKOSA-N 1 3 322.497 2.177 20 0 DEADHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CCCC34CCOCC4)C2)CC1 ZINC000370298777 289883555 /nfs/dbraw/zinc/88/35/55/289883555.db2.gz QKGUQRZIYTYPEA-WMZOPIPTSA-N 1 3 321.509 2.094 20 0 DEADHO C[C@H]1CN(C[C@H]2CCC(C)(C)O2)CCN1C1CC[NH+](C)CC1 ZINC000360135024 300266902 /nfs/dbraw/zinc/26/69/02/300266902.db2.gz YRXXBVWYMIFWCY-DOTOQJQBSA-N 1 3 309.498 2.044 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H](C)CCC[NH3+])N(C)C ZINC000418160138 302204992 /nfs/dbraw/zinc/20/49/92/302204992.db2.gz AZCFFLYKVCJYNA-ZOBUZTSGSA-N 1 3 320.481 2.413 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@H+](CC2CC2)C2CCCCC2)C1 ZINC000414693687 303365358 /nfs/dbraw/zinc/36/53/58/303365358.db2.gz MWUOBOZFUVNOQG-MRXNPFEDSA-N 1 3 307.482 2.228 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@@H+](CC2CC2)C2CCCCC2)C1 ZINC000414693687 303365360 /nfs/dbraw/zinc/36/53/60/303365360.db2.gz MWUOBOZFUVNOQG-MRXNPFEDSA-N 1 3 307.482 2.228 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2ccsc2)C1 ZINC000414671108 303365876 /nfs/dbraw/zinc/36/58/76/303365876.db2.gz FGXUWSXAVJUXPK-ZFWWWQNUSA-N 1 3 307.463 2.082 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]2c2ccsc2)C1 ZINC000414671108 303365877 /nfs/dbraw/zinc/36/58/77/303365877.db2.gz FGXUWSXAVJUXPK-ZFWWWQNUSA-N 1 3 307.463 2.082 20 0 DEADHO [NH3+][C@H]1CCC[C@H](NCc2cccc(CN3CCCC3=O)c2)C1 ZINC000573981041 326112081 /nfs/dbraw/zinc/11/20/81/326112081.db2.gz ICNARVSBGIKJAX-IRXDYDNUSA-N 1 3 301.434 2.169 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000574079226 326121129 /nfs/dbraw/zinc/12/11/29/326121129.db2.gz CFZPNRDJMNEOPK-SFHVURJKSA-N 1 3 315.461 2.110 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@H](O)COCc2ccccc2)C1 ZINC000575052832 326213663 /nfs/dbraw/zinc/21/36/63/326213663.db2.gz MXOKXDLBLCJOIW-MOPGFXCFSA-N 1 3 320.477 2.274 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC[C@H](O)COCc2ccccc2)C1 ZINC000575052832 326213667 /nfs/dbraw/zinc/21/36/67/326213667.db2.gz MXOKXDLBLCJOIW-MOPGFXCFSA-N 1 3 320.477 2.274 20 0 DEADHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](O)COCc2ccccc2)C1 ZINC000575052832 326213670 /nfs/dbraw/zinc/21/36/70/326213670.db2.gz MXOKXDLBLCJOIW-MOPGFXCFSA-N 1 3 320.477 2.274 20 0 DEADHO C[N@H+](C[C@@H](O)CNCC1(c2ccccc2Cl)CC1)C1CC1 ZINC000575117086 326220187 /nfs/dbraw/zinc/22/01/87/326220187.db2.gz ZMJJZYDQXSNREJ-AWEZNQCLSA-N 1 3 308.853 2.416 20 0 DEADHO C[N@@H+](C[C@@H](O)CNCC1(c2ccccc2Cl)CC1)C1CC1 ZINC000575117086 326220191 /nfs/dbraw/zinc/22/01/91/326220191.db2.gz ZMJJZYDQXSNREJ-AWEZNQCLSA-N 1 3 308.853 2.416 20 0 DEADHO CC[C@@H](C)N[C@H](CNC(=O)N(C)CCC[NH+](C)C)c1ccco1 ZINC000576492441 326297963 /nfs/dbraw/zinc/29/79/63/326297963.db2.gz XPNWBFUIJGQXSH-HUUCEWRRSA-N 1 3 324.469 2.302 20 0 DEADHO CN(C(=O)CC[NH2+]C1CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388651887 333368569 /nfs/dbraw/zinc/36/85/69/333368569.db2.gz RWBOWHILERUMMU-GOSISDBHSA-N 1 3 315.461 2.252 20 0 DEADHO CN(C(=O)CC[NH2+]C1CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388651892 333368902 /nfs/dbraw/zinc/36/89/02/333368902.db2.gz RWBOWHILERUMMU-SFHVURJKSA-N 1 3 315.461 2.252 20 0 DEADHO C[C@H](CNC[C@H](O)Cc1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000582481339 337096657 /nfs/dbraw/zinc/09/66/57/337096657.db2.gz SSFANKYOJPDBQH-CRAIPNDOSA-N 1 3 308.441 2.441 20 0 DEADHO C[C@H](C[NH2+]C[C@H](O)Cc1ccc(F)cc1)CN1CCCCC1 ZINC000582481339 337096658 /nfs/dbraw/zinc/09/66/58/337096658.db2.gz SSFANKYOJPDBQH-CRAIPNDOSA-N 1 3 308.441 2.441 20 0 DEADHO CCc1noc(-c2ccc(CCN[C@@H]3CCC[C@H]3[NH3+])cc2)n1 ZINC000582839686 337207560 /nfs/dbraw/zinc/20/75/60/337207560.db2.gz IBPMSVIBYYOPHN-HUUCEWRRSA-N 1 3 300.406 2.311 20 0 DEADHO [NH3+]C1CCN(C(=O)NCCN2CCC3(CCCCC3)CC2)CC1 ZINC000583193835 337264294 /nfs/dbraw/zinc/26/42/94/337264294.db2.gz VYQQYFLAPNNLIN-UHFFFAOYSA-N 1 3 322.497 2.165 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CC[NH2+]C1CC1 ZINC000398116410 337306130 /nfs/dbraw/zinc/30/61/30/337306130.db2.gz FWENTTUHAPKUOW-YJBOKZPZSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CC[NH2+]C1CC1 ZINC000398116398 337306240 /nfs/dbraw/zinc/30/62/40/337306240.db2.gz FWENTTUHAPKUOW-CRAIPNDOSA-N 1 3 315.461 2.155 20 0 DEADHO Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@@H](C)C2=CCN(C)CC2)c1 ZINC000584406391 337320468 /nfs/dbraw/zinc/32/04/68/337320468.db2.gz FFOOILJDNOHESH-WMZOPIPTSA-N 1 3 318.461 2.283 20 0 DEADHO O=C(C1CC[NH+](C2CC2)CC1)N1CCN(C2CCCCC2)CC1 ZINC000192731249 341884910 /nfs/dbraw/zinc/88/49/10/341884910.db2.gz ZFTGTURCTMPPOW-UHFFFAOYSA-N 1 3 319.493 2.338 20 0 DEADHO CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)NCc1ccns1 ZINC001378245501 1152249222 /nfs/dbraw/zinc/24/92/22/1152249222.db2.gz JRYNFPLILPNIEK-HIFRSBDPSA-N 1 3 324.494 2.000 20 0 DEADHO CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)NCc1ccns1 ZINC001378245501 1152249225 /nfs/dbraw/zinc/24/92/25/1152249225.db2.gz JRYNFPLILPNIEK-HIFRSBDPSA-N 1 3 324.494 2.000 20 0 DEADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1cccc(F)c1 ZINC001378307329 1152286724 /nfs/dbraw/zinc/28/67/24/1152286724.db2.gz YEFLFQCFNJZAAF-WMLDXEAASA-N 1 3 321.440 2.152 20 0 DEADHO CC[C@@H](C(=O)NC1(C[NH2+]C/C=C/Cl)CCCCC1)N(C)C ZINC001329846789 1149003496 /nfs/dbraw/zinc/00/34/96/1149003496.db2.gz VPBOJJNQTOREIL-ZHZWZMEUSA-N 1 3 315.889 2.488 20 0 DEADHO CC[C@@H](F)C[NH+]1CCC(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001378468255 1152340311 /nfs/dbraw/zinc/34/03/11/1152340311.db2.gz FAZJIQGVEFPGTD-HZPDHXFCSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001377703518 1160753533 /nfs/dbraw/zinc/75/35/33/1160753533.db2.gz BYLHKBXLLZNRRB-INIZCTEOSA-N 1 3 311.514 2.449 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001377703518 1160753542 /nfs/dbraw/zinc/75/35/42/1160753542.db2.gz BYLHKBXLLZNRRB-INIZCTEOSA-N 1 3 311.514 2.449 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CC[NH+](CC2CCC2)CC1 ZINC001369558406 1149038550 /nfs/dbraw/zinc/03/85/50/1149038550.db2.gz CYKHDVIKKXYHLP-OAHLLOKOSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001399123362 1161248668 /nfs/dbraw/zinc/24/86/68/1161248668.db2.gz YTEONBCEIHAYMM-KGLIPLIRSA-N 1 3 309.429 2.323 20 0 DEADHO C[NH+](C)CCC(=O)NCC1(NCc2ccccc2F)CCCC1 ZINC001378715996 1152422152 /nfs/dbraw/zinc/42/21/52/1152422152.db2.gz LRDMCUJVWYZRLM-UHFFFAOYSA-N 1 3 321.440 2.296 20 0 DEADHO C[C@H](CCC[NH3+])N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000423025092 533873450 /nfs/dbraw/zinc/87/34/50/533873450.db2.gz NMJMVDPJVCZEHQ-QMTHXVAHSA-N 1 3 313.804 2.301 20 0 DEADHO C[C@@H]1CCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)C[C@H]1C[NH3+] ZINC000417840511 533936437 /nfs/dbraw/zinc/93/64/37/533936437.db2.gz OKYPULJESJWAJY-FVQBIDKESA-N 1 3 303.450 2.156 20 0 DEADHO Cc1ccc(CNC(=O)[C@@H](C)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443058212 534034150 /nfs/dbraw/zinc/03/41/50/534034150.db2.gz JTXVZBRBWPJIOB-NVXWUHKLSA-N 1 3 303.450 2.061 20 0 DEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000423063187 534067968 /nfs/dbraw/zinc/06/79/68/534067968.db2.gz VWWVLJXJHTWPLF-ZOBORPQBSA-N 1 3 308.388 2.448 20 0 DEADHO C[C@H]1CSC[C@@H]1[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000296599232 534068047 /nfs/dbraw/zinc/06/80/47/534068047.db2.gz YGTVPDIKDYDXSX-YJBOKZPZSA-N 1 3 319.518 2.275 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1cccc(N2CCOCC2)c1 ZINC000423133028 534068791 /nfs/dbraw/zinc/06/87/91/534068791.db2.gz JYCLHENZJLHQQG-QAPCUYQASA-N 1 3 303.450 2.001 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001401701946 1162083114 /nfs/dbraw/zinc/08/31/14/1162083114.db2.gz IJUXOVDWQSEXDF-BBRMVZONSA-N 1 3 309.429 2.069 20 0 DEADHO Cc1ccoc1C(=O)NCCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422916763 534438080 /nfs/dbraw/zinc/43/80/80/534438080.db2.gz DZTCCSIHTUABBI-XHSDSOJGSA-N 1 3 319.449 2.218 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)C[C@@H]2CCCN(C)C2)C1 ZINC000115822246 519676138 /nfs/dbraw/zinc/67/61/38/519676138.db2.gz OZZGEWVSEWHPMD-DLBZAZTESA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(C)C[C@@H]2CCCN(C)C2)C1 ZINC000115822246 519676143 /nfs/dbraw/zinc/67/61/43/519676143.db2.gz OZZGEWVSEWHPMD-DLBZAZTESA-N 1 3 324.513 2.090 20 0 DEADHO COCC1(C)CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000337301154 522855202 /nfs/dbraw/zinc/85/52/02/522855202.db2.gz OIBWPKDUNHWUJM-UHFFFAOYSA-N 1 3 311.514 2.151 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCCC[C@H]1C ZINC000337353099 524430233 /nfs/dbraw/zinc/43/02/33/524430233.db2.gz ANEKUKCQWGLBJY-WCXIOVBPSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCCC[C@H]1C ZINC000337353099 524430238 /nfs/dbraw/zinc/43/02/38/524430238.db2.gz ANEKUKCQWGLBJY-WCXIOVBPSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCC(C)CC1 ZINC000338265530 524430676 /nfs/dbraw/zinc/43/06/76/524430676.db2.gz SSJRDCLKUNVADP-IKGGRYGDSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)N1CCC(C)CC1 ZINC000338265530 524430683 /nfs/dbraw/zinc/43/06/83/524430683.db2.gz SSJRDCLKUNVADP-IKGGRYGDSA-N 1 3 322.497 2.033 20 0 DEADHO CC(C)(CC[NH3+])NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000422590630 527024348 /nfs/dbraw/zinc/02/43/48/527024348.db2.gz ATHLAJGIFADCLR-INIZCTEOSA-N 1 3 318.465 2.078 20 0 DEADHO CC(C)(C(=O)NCC1(C)CC[NH2+]CC1)[C@@H](N)c1ccccc1 ZINC000417812640 527515983 /nfs/dbraw/zinc/51/59/83/527515983.db2.gz PZHVSKVUIHTTGO-HNNXBMFYSA-N 1 3 303.450 2.219 20 0 DEADHO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297613814 527738341 /nfs/dbraw/zinc/73/83/41/527738341.db2.gz KTDDNSUBZQUSBH-UONOGXRCSA-N 1 3 305.422 2.228 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC000448434605 527981686 /nfs/dbraw/zinc/98/16/86/527981686.db2.gz HNGOGEBHJGTCNV-BRWVUGGUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC000448434605 527981690 /nfs/dbraw/zinc/98/16/90/527981690.db2.gz HNGOGEBHJGTCNV-BRWVUGGUSA-N 1 3 309.498 2.343 20 0 DEADHO CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC(C[NH3+])CC1 ZINC000430606328 528061183 /nfs/dbraw/zinc/06/11/83/528061183.db2.gz VAAVWDXETABPIX-KRWDZBQOSA-N 1 3 303.450 2.267 20 0 DEADHO CC[NH2+]CC1CCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000418095530 528284678 /nfs/dbraw/zinc/28/46/78/528284678.db2.gz GKAWAMQJPVCHQU-MRXNPFEDSA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000417578019 528301590 /nfs/dbraw/zinc/30/15/90/528301590.db2.gz KGYYMHBRVPSTFG-WBVHZDCISA-N 1 3 320.481 2.180 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418237287 528312969 /nfs/dbraw/zinc/31/29/69/528312969.db2.gz NOONOULCNUCWSU-SJORKVTESA-N 1 3 324.513 2.186 20 0 DEADHO CCCC[N@H+](C)CCNC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000447959081 528344855 /nfs/dbraw/zinc/34/48/55/528344855.db2.gz MIJUQDYOWPRFRT-OAHLLOKOSA-N 1 3 312.502 2.138 20 0 DEADHO CCCC[N@@H+](C)CCNC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000447959081 528344859 /nfs/dbraw/zinc/34/48/59/528344859.db2.gz MIJUQDYOWPRFRT-OAHLLOKOSA-N 1 3 312.502 2.138 20 0 DEADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H](N)c1ccccc1 ZINC000418422247 528447101 /nfs/dbraw/zinc/44/71/01/528447101.db2.gz DEYNGLCFAUSTHW-QGZVFWFLSA-N 1 3 318.465 2.204 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418371779 528779113 /nfs/dbraw/zinc/77/91/13/528779113.db2.gz QADKVNOJBQOWKN-KRWDZBQOSA-N 1 3 318.465 2.032 20 0 DEADHO CC(C)N(CC(=O)NC1CC[NH+](C(C)C)CC1)CC1CCC1 ZINC000193207624 528859380 /nfs/dbraw/zinc/85/93/80/528859380.db2.gz BFQKIQDSQMXSII-UHFFFAOYSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCN(c2cccc(NC(=O)C(C)(C)C[NH3+])c2)CC1 ZINC000423835884 529045039 /nfs/dbraw/zinc/04/50/39/529045039.db2.gz DZYVLEVMLJULMD-UHFFFAOYSA-N 1 3 318.465 2.140 20 0 DEADHO CC(C)N1CCN(c2cccc(N[C@@H](C)C3C[NH2+]C3)c2)CC1 ZINC000423022624 529046128 /nfs/dbraw/zinc/04/61/28/529046128.db2.gz FSSYFWIWGASQPE-HNNXBMFYSA-N 1 3 302.466 2.237 20 0 DEADHO CC(C)N1CC[C@@H](N(C)C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000418475352 529060510 /nfs/dbraw/zinc/06/05/10/529060510.db2.gz ZCCKUZJITLDXQC-RHSMWYFYSA-N 1 3 318.465 2.330 20 0 DEADHO CCS(=O)(=O)c1ccc(CN[C@H](C)CCCC[NH3+])s1 ZINC000423083965 529156597 /nfs/dbraw/zinc/15/65/97/529156597.db2.gz GQWMCYXUUWDPBO-LLVKDONJSA-N 1 3 304.481 2.149 20 0 DEADHO CC[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])Oc1cccc(C)c1 ZINC000422922493 529369503 /nfs/dbraw/zinc/36/95/03/529369503.db2.gz SXEHYDQJEYVQEF-JOCBIADPSA-N 1 3 306.450 2.494 20 0 DEADHO CC(C)N1CCN(C2CC[NH+](C[C@@H]3CCCCO3)CC2)CC1 ZINC000371348343 535197419 /nfs/dbraw/zinc/19/74/19/535197419.db2.gz AFQSCNFFABNDMK-SFHVURJKSA-N 1 3 309.498 2.046 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CCN(C(C)C)C2)CC1 ZINC000458155444 535264399 /nfs/dbraw/zinc/26/43/99/535264399.db2.gz GNODOUNSWAGWIU-QGZVFWFLSA-N 1 3 324.513 2.375 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccncc1F ZINC000449323726 535594281 /nfs/dbraw/zinc/59/42/81/535594281.db2.gz AXBCELXOTDUCHV-INIZCTEOSA-N 1 3 308.445 2.069 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccncc1F ZINC000449323726 535594284 /nfs/dbraw/zinc/59/42/84/535594284.db2.gz AXBCELXOTDUCHV-INIZCTEOSA-N 1 3 308.445 2.069 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000262117082 535974923 /nfs/dbraw/zinc/97/49/23/535974923.db2.gz WAAYLMOCRMMLRK-GOSISDBHSA-N 1 3 315.417 2.305 20 0 DEADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000449063911 536352033 /nfs/dbraw/zinc/35/20/33/536352033.db2.gz RUHGGOKRFXTMJE-SJORKVTESA-N 1 3 319.493 2.300 20 0 DEADHO C[C@H](CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CC1CC1 ZINC001379211289 1152591071 /nfs/dbraw/zinc/59/10/71/1152591071.db2.gz BTXCSEWGKXDERX-CXAGYDPISA-N 1 3 313.461 2.045 20 0 DEADHO C[C@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]CCc1cccs1 ZINC001379211875 1152590871 /nfs/dbraw/zinc/59/08/71/1152590871.db2.gz CPFFMSPNYLVQJX-HUUCEWRRSA-N 1 3 323.506 2.069 20 0 DEADHO CCN(CC[NH2+][C@H](C)c1cccc(F)c1)C(=O)CN1CCCC1 ZINC001379325406 1152608964 /nfs/dbraw/zinc/60/89/64/1152608964.db2.gz GHWXEOPNMHFYRL-OAHLLOKOSA-N 1 3 321.440 2.421 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001379450221 1152626358 /nfs/dbraw/zinc/62/63/58/1152626358.db2.gz ODNSKURFALCBGX-RHSMWYFYSA-N 1 3 323.456 2.337 20 0 DEADHO CC[NH+]1CCC(CC[NH2+]Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC000821241880 606223659 /nfs/dbraw/zinc/22/36/59/606223659.db2.gz PPLGYEZJTHRVNJ-UHFFFAOYSA-N 1 3 320.466 2.140 20 0 DEADHO CC[NH+]1CCC(CC[NH2+]Cc2cc(-c3nn[n-]n3)cs2)CC1 ZINC000821241880 606223660 /nfs/dbraw/zinc/22/36/60/606223660.db2.gz PPLGYEZJTHRVNJ-UHFFFAOYSA-N 1 3 320.466 2.140 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC2(CC1)CC[NH+](CCF)CC2 ZINC001381243827 1152965501 /nfs/dbraw/zinc/96/55/01/1152965501.db2.gz WZQCPUJUHGOKPT-UHFFFAOYSA-N 1 3 313.461 2.001 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[N@@H+]1CCCC1(C)C)N1CCCCC1 ZINC001362725654 1153060037 /nfs/dbraw/zinc/06/00/37/1153060037.db2.gz GNRNRGHZTFJTNS-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[N@H+]1CCCC1(C)C)N1CCCCC1 ZINC001362725654 1153060043 /nfs/dbraw/zinc/06/00/43/1153060043.db2.gz GNRNRGHZTFJTNS-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CC[N@@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001381979067 1153301985 /nfs/dbraw/zinc/30/19/85/1153301985.db2.gz HPXCYSNSRVGHLQ-UHFFFAOYSA-N 1 3 309.498 2.440 20 0 DEADHO COc1ccccc1N1CC[C@H](CN[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000925542495 625283676 /nfs/dbraw/zinc/28/36/76/625283676.db2.gz PAADGQQWIPCPOB-ARFHVFGLSA-N 1 3 303.450 2.252 20 0 DEADHO CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001023632958 625365194 /nfs/dbraw/zinc/36/51/94/625365194.db2.gz SDQVQQNPXZQJBW-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001023632958 625365201 /nfs/dbraw/zinc/36/52/01/625365201.db2.gz SDQVQQNPXZQJBW-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO C(C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1)COC1CCOCC1 ZINC000925579573 625405125 /nfs/dbraw/zinc/40/51/25/625405125.db2.gz FQPRKHCOAMQNFN-MSOLQXFVSA-N 1 3 310.482 2.330 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000892733669 625505984 /nfs/dbraw/zinc/50/59/84/625505984.db2.gz RYWNPKXVVOCTTD-MRXNPFEDSA-N 1 3 312.502 2.234 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CC2CCC2)C1)N(C)C ZINC001024027045 625549799 /nfs/dbraw/zinc/54/97/99/625549799.db2.gz NQWMMOCRFSRYOF-IRXDYDNUSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CCCCCCO)CC1 ZINC000175755841 622758749 /nfs/dbraw/zinc/75/87/49/622758749.db2.gz RHCOFCGZWHNOQM-ROUUACIJSA-N 1 3 311.514 2.030 20 0 DEADHO CC(C)[C@H](C(=O)NC1CCC([NH+]2CCCCC2)CC1)N(C)C ZINC000079638698 623091796 /nfs/dbraw/zinc/09/17/96/623091796.db2.gz VVTZCHBMRIFIEJ-OFLPRAFFSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccncc1CO ZINC000892820658 625634369 /nfs/dbraw/zinc/63/43/69/625634369.db2.gz RDTARLJMQODUEU-CRAIPNDOSA-N 1 3 311.429 2.318 20 0 DEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccncc1CO ZINC000892820658 625634372 /nfs/dbraw/zinc/63/43/72/625634372.db2.gz RDTARLJMQODUEU-CRAIPNDOSA-N 1 3 311.429 2.318 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]([NH2+]CC3CCC3)C2)c1 ZINC001021091868 623336401 /nfs/dbraw/zinc/33/64/01/623336401.db2.gz YKWBXRSDDDNKBS-IYARVYRRSA-N 1 3 315.461 2.399 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H](C[NH2+]CC3CCCC3)C2)C1 ZINC001024156764 625641011 /nfs/dbraw/zinc/64/10/11/625641011.db2.gz SVTUDRUAOSZVFY-SJLPKXTDSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)c1cccc(F)c1 ZINC000970719650 623641893 /nfs/dbraw/zinc/64/18/93/623641893.db2.gz KGZNUKDGVSGVHM-RHSMWYFYSA-N 1 3 319.424 2.173 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]([NH2+]CC3CCC3)C2)c1 ZINC000970786251 623681270 /nfs/dbraw/zinc/68/12/70/623681270.db2.gz QZVCRAKVHODCJL-GOSISDBHSA-N 1 3 315.461 2.352 20 0 DEADHO C[C@H](NC(=O)c1cccc(CN(C)C)c1)C1C[NH+](CCCF)C1 ZINC000970917232 623789161 /nfs/dbraw/zinc/78/91/61/623789161.db2.gz OEYNFOLJJKAJFZ-AWEZNQCLSA-N 1 3 321.440 2.158 20 0 DEADHO CC(C)C[NH+]1CC([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC000970930088 623798603 /nfs/dbraw/zinc/79/86/03/623798603.db2.gz WKEJMQIGTLYIKH-HNNXBMFYSA-N 1 3 317.477 2.454 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]2C[N@H+](CCC3CC3)CC[C@H]21 ZINC001021677164 623943229 /nfs/dbraw/zinc/94/32/29/623943229.db2.gz GLQMFBHIOQTAQB-NVXWUHKLSA-N 1 3 316.449 2.065 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]2C[N@@H+](CCC3CC3)CC[C@H]21 ZINC001021677164 623943233 /nfs/dbraw/zinc/94/32/33/623943233.db2.gz GLQMFBHIOQTAQB-NVXWUHKLSA-N 1 3 316.449 2.065 20 0 DEADHO Cc1cccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c1 ZINC000971199810 624068044 /nfs/dbraw/zinc/06/80/44/624068044.db2.gz ADCLJUIHXJZXBL-ROUUACIJSA-N 1 3 315.461 2.122 20 0 DEADHO Cc1cccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c1 ZINC000971199810 624068045 /nfs/dbraw/zinc/06/80/45/624068045.db2.gz ADCLJUIHXJZXBL-ROUUACIJSA-N 1 3 315.461 2.122 20 0 DEADHO C[C@@H]1C[C@@H](NCCN(C(=O)OC(C)(C)C)C2CC2)CC[N@@H+]1C ZINC000160912584 624153220 /nfs/dbraw/zinc/15/32/20/624153220.db2.gz LNKKHWLLJCAXIU-KGLIPLIRSA-N 1 3 311.470 2.458 20 0 DEADHO C[C@@H]1C[C@@H](NCCN(C(=O)OC(C)(C)C)C2CC2)CC[N@H+]1C ZINC000160912584 624153223 /nfs/dbraw/zinc/15/32/23/624153223.db2.gz LNKKHWLLJCAXIU-KGLIPLIRSA-N 1 3 311.470 2.458 20 0 DEADHO OCc1c[nH+]ccc1NC[C@H](c1ccco1)N1CCCCC1 ZINC000891484062 624212541 /nfs/dbraw/zinc/21/25/41/624212541.db2.gz BCGCYMTZAJNKLM-MRXNPFEDSA-N 1 3 301.390 2.228 20 0 DEADHO Cc1cc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cs1 ZINC001026734479 625703470 /nfs/dbraw/zinc/70/34/70/625703470.db2.gz OCTPCJOURQMKEG-HOCLYGCPSA-N 1 3 321.490 2.089 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001026734625 625703735 /nfs/dbraw/zinc/70/37/35/625703735.db2.gz QTNJLTADHLZQKY-NVXWUHKLSA-N 1 3 319.493 2.099 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2C)C1)N(C)C ZINC000971780267 624544543 /nfs/dbraw/zinc/54/45/43/624544543.db2.gz WRVGNOMQRKVRPD-QZTJIDSGSA-N 1 3 317.477 2.368 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2C)C1)N(C)C ZINC000971780267 624544544 /nfs/dbraw/zinc/54/45/44/624544544.db2.gz WRVGNOMQRKVRPD-QZTJIDSGSA-N 1 3 317.477 2.368 20 0 DEADHO CC1(C)C[NH2+]CC[C@H](NC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000891857768 624632552 /nfs/dbraw/zinc/63/25/52/624632552.db2.gz FSSDUSHNGCKNNR-HOCLYGCPSA-N 1 3 322.497 2.081 20 0 DEADHO CN(C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)[C@H]1CCCN(C)C1 ZINC000891888088 624646874 /nfs/dbraw/zinc/64/68/74/624646874.db2.gz DAVZNBIKKWKDED-DLBZAZTESA-N 1 3 324.513 2.233 20 0 DEADHO CCN(C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C)[C@H]1CC[NH2+]C1 ZINC000891894767 624649699 /nfs/dbraw/zinc/64/96/99/624649699.db2.gz RZTJXLRKKPDHFQ-HYVNUMGLSA-N 1 3 318.465 2.071 20 0 DEADHO CN1CC[C@@]2(CC[N@H+](C[C@@H](O)COc3ccc(Cl)cc3)C2)C1 ZINC000292047049 625025372 /nfs/dbraw/zinc/02/53/72/625025372.db2.gz BDDVCSYLFKQYIV-NVXWUHKLSA-N 1 3 324.852 2.107 20 0 DEADHO CN1CC[C@@]2(CC[N@@H+](C[C@@H](O)COc3ccc(Cl)cc3)C2)C1 ZINC000292047049 625025377 /nfs/dbraw/zinc/02/53/77/625025377.db2.gz BDDVCSYLFKQYIV-NVXWUHKLSA-N 1 3 324.852 2.107 20 0 DEADHO C[N@H+](CC1CCCCC1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972426901 625070512 /nfs/dbraw/zinc/07/05/12/625070512.db2.gz RSFSGNNAUSYLGX-INIZCTEOSA-N 1 3 304.438 2.065 20 0 DEADHO C[N@@H+](CC1CCCCC1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972426901 625070517 /nfs/dbraw/zinc/07/05/17/625070517.db2.gz RSFSGNNAUSYLGX-INIZCTEOSA-N 1 3 304.438 2.065 20 0 DEADHO C[N@H+](CCC1=CCCCC1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972426619 625072792 /nfs/dbraw/zinc/07/27/92/625072792.db2.gz PFAWAWQGQFNCQN-QGZVFWFLSA-N 1 3 316.449 2.375 20 0 DEADHO C[N@@H+](CCC1=CCCCC1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972426619 625072794 /nfs/dbraw/zinc/07/27/94/625072794.db2.gz PFAWAWQGQFNCQN-QGZVFWFLSA-N 1 3 316.449 2.375 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCCF ZINC001024436283 625762984 /nfs/dbraw/zinc/76/29/84/625762984.db2.gz BBXSBNOHXKXHQU-JKSUJKDBSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCCF ZINC001024436283 625762990 /nfs/dbraw/zinc/76/29/90/625762990.db2.gz BBXSBNOHXKXHQU-JKSUJKDBSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2C)C(C)C ZINC000893370068 625765616 /nfs/dbraw/zinc/76/56/16/625765616.db2.gz IRBNPLFNTWSROX-SJORKVTESA-N 1 3 324.513 2.373 20 0 DEADHO CC(C)=CCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001024438746 625776911 /nfs/dbraw/zinc/77/69/11/625776911.db2.gz VYLYACNYBBDBGP-QZTJIDSGSA-N 1 3 319.493 2.265 20 0 DEADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NCc1nccc(C(F)(F)F)n1 ZINC000925696180 625780761 /nfs/dbraw/zinc/78/07/61/625780761.db2.gz JLTWPZKBHJTTMG-HMKSTLMESA-N 1 3 300.328 2.101 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC1 ZINC001024470478 625799541 /nfs/dbraw/zinc/79/95/41/625799541.db2.gz ZWOMOZAFTKMBPJ-DLBZAZTESA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CC1 ZINC001024470478 625799546 /nfs/dbraw/zinc/79/95/46/625799546.db2.gz ZWOMOZAFTKMBPJ-DLBZAZTESA-N 1 3 307.482 2.242 20 0 DEADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)c(C)s1 ZINC001019775824 625832511 /nfs/dbraw/zinc/83/25/11/625832511.db2.gz HKWRFGDRADKXKA-INIZCTEOSA-N 1 3 321.490 2.151 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1)C1CC1 ZINC000999374965 634572263 /nfs/dbraw/zinc/57/22/63/634572263.db2.gz SPEOQCCXTFWAKD-QZTJIDSGSA-N 1 3 315.461 2.107 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC2=CCCCC2)C1)C1CC1 ZINC000999369011 634577198 /nfs/dbraw/zinc/57/71/98/634577198.db2.gz ILAPMIKFIGVMNA-QZTJIDSGSA-N 1 3 319.493 2.408 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)C2CC([NH2+]CC3=CCCCC3)C2)C1 ZINC000999408365 634585970 /nfs/dbraw/zinc/58/59/70/634585970.db2.gz JNEFDYACCQWHAS-FAEJEUNOSA-N 1 3 319.493 2.408 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCc2cccs2)C1)N(C)C ZINC000999491810 634619984 /nfs/dbraw/zinc/61/99/84/634619984.db2.gz XKGDLKBPDMNGLG-GOEBONIOSA-N 1 3 323.506 2.211 20 0 DEADHO CCC[NH2+]C1CC(N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC000999866583 634695813 /nfs/dbraw/zinc/69/58/13/634695813.db2.gz JRLFPPKSFQBJAW-UHFFFAOYSA-N 1 3 303.450 2.351 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CC2CCCCC2)C1)N(C)C ZINC001000224955 634802064 /nfs/dbraw/zinc/80/20/64/634802064.db2.gz JISCYUPSRKZNKD-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]CC(C)C)C(C)(C)C1 ZINC000995872128 633132279 /nfs/dbraw/zinc/13/22/79/633132279.db2.gz LZTIKMQMOPWARU-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)(C(=O)N1C[C@H]([NH2+]CC2CCC2)C(C)(C)C1)N1CCCC1 ZINC000996129261 633192729 /nfs/dbraw/zinc/19/27/29/633192729.db2.gz VBQADNYIRUOQCM-INIZCTEOSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974864779 633339718 /nfs/dbraw/zinc/33/97/18/633339718.db2.gz RDRJYSNVOVLFSP-HZPDHXFCSA-N 1 3 307.482 2.096 20 0 DEADHO CC(C)[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974864779 633339720 /nfs/dbraw/zinc/33/97/20/633339720.db2.gz RDRJYSNVOVLFSP-HZPDHXFCSA-N 1 3 307.482 2.096 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001027062756 633384730 /nfs/dbraw/zinc/38/47/30/633384730.db2.gz BFPZXIBOXPKCLW-DOTOQJQBSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC001027063577 633384971 /nfs/dbraw/zinc/38/49/71/633384971.db2.gz NVYKXMKOTIZCSS-AEFFLSMTSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]Cc3ccsc3)C2)C1 ZINC001027065090 633385715 /nfs/dbraw/zinc/38/57/15/633385715.db2.gz QXPUXAWJUOXASI-LSDHHAIUSA-N 1 3 321.490 2.028 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CC2CCCCC2)C1)N(C)C ZINC001027070382 633419980 /nfs/dbraw/zinc/41/99/80/633419980.db2.gz PWQWHZSDPGWPBK-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CN1C(=O)c2ccccc2[C@@H]1CN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925716073 633444811 /nfs/dbraw/zinc/44/48/11/633444811.db2.gz ADHVJMANYQTBBU-XEZPLFJOSA-N 1 3 301.434 2.309 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC001027217571 633500709 /nfs/dbraw/zinc/50/07/09/633500709.db2.gz MASOVPHJJNIILC-GOSISDBHSA-N 1 3 315.461 2.029 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000996993094 633554278 /nfs/dbraw/zinc/55/42/78/633554278.db2.gz AHAQVEVAXHHSDY-MRXNPFEDSA-N 1 3 315.461 2.252 20 0 DEADHO Cc1cc(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)cs1 ZINC000997306687 633703688 /nfs/dbraw/zinc/70/36/88/633703688.db2.gz IFQMIBBJBJZENW-UHFFFAOYSA-N 1 3 321.490 2.233 20 0 DEADHO CC(C)=CCN1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977456903 633994671 /nfs/dbraw/zinc/99/46/71/633994671.db2.gz XFFIOXULSJRYNU-HOTGVXAUSA-N 1 3 307.482 2.121 20 0 DEADHO CC(C)=CCN1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977456903 633994678 /nfs/dbraw/zinc/99/46/78/633994678.db2.gz XFFIOXULSJRYNU-HOTGVXAUSA-N 1 3 307.482 2.121 20 0 DEADHO C[NH+](C)CCCC(C)(C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000836855069 650136490 /nfs/dbraw/zinc/13/64/90/650136490.db2.gz FQRGMQFARQZIJG-KRWDZBQOSA-N 1 3 315.477 2.436 20 0 DEADHO C[N@H+](CCC1CC1)[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027577949 634188870 /nfs/dbraw/zinc/18/88/70/634188870.db2.gz YFGVUHPKQWKOAH-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO C[N@@H+](CCC1CC1)[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027577949 634188873 /nfs/dbraw/zinc/18/88/73/634188873.db2.gz YFGVUHPKQWKOAH-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC1CC1 ZINC001027879811 634852690 /nfs/dbraw/zinc/85/26/90/634852690.db2.gz YNQRCHMRPVSDTI-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1CC1 ZINC001027879811 634852695 /nfs/dbraw/zinc/85/26/95/634852695.db2.gz YNQRCHMRPVSDTI-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]([N@H+](C)CC3CC3)C2)c1 ZINC000980471180 635012804 /nfs/dbraw/zinc/01/28/04/635012804.db2.gz LBBRVSWWADSOOQ-SFHVURJKSA-N 1 3 315.461 2.305 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]([N@@H+](C)CC3CC3)C2)c1 ZINC000980471180 635012807 /nfs/dbraw/zinc/01/28/07/635012807.db2.gz LBBRVSWWADSOOQ-SFHVURJKSA-N 1 3 315.461 2.305 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001000319731 635138699 /nfs/dbraw/zinc/13/86/99/635138699.db2.gz OVHNLQCJICADDE-OAHLLOKOSA-N 1 3 304.438 2.113 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC001000312255 635141847 /nfs/dbraw/zinc/14/18/47/635141847.db2.gz NSVSRQOCGKPENE-MAUKXSAKSA-N 1 3 324.428 2.220 20 0 DEADHO C[C@H]1C[C@H](C[NH2+]CC2=CCCCC2)CN1C(=O)CN1CCCC1 ZINC000980802567 635159964 /nfs/dbraw/zinc/15/99/64/635159964.db2.gz ZUIXWMSCNCCEBF-FUHWJXTLSA-N 1 3 319.493 2.409 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC001027985323 635167268 /nfs/dbraw/zinc/16/72/68/635167268.db2.gz GRNNYIONWOVVFF-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC001027985323 635167271 /nfs/dbraw/zinc/16/72/71/635167271.db2.gz GRNNYIONWOVVFF-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC001027985325 635167334 /nfs/dbraw/zinc/16/73/34/635167334.db2.gz GRNNYIONWOVVFF-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC001027985325 635167337 /nfs/dbraw/zinc/16/73/37/635167337.db2.gz GRNNYIONWOVVFF-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC1=CC[N@H+](CC2CC2)CC1 ZINC001001229566 635431070 /nfs/dbraw/zinc/43/10/70/635431070.db2.gz LMOFOVVRMXHEND-SFHVURJKSA-N 1 3 319.493 2.408 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC1=CC[N@@H+](CC2CC2)CC1 ZINC001001229566 635431073 /nfs/dbraw/zinc/43/10/73/635431073.db2.gz LMOFOVVRMXHEND-SFHVURJKSA-N 1 3 319.493 2.408 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[N@H+](CC2CCCC2)CC1)N(C)C ZINC000981387990 635460618 /nfs/dbraw/zinc/46/06/18/635460618.db2.gz WXPWIRRCFDSZFS-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[N@@H+](CC2CCCC2)CC1)N(C)C ZINC000981387990 635460621 /nfs/dbraw/zinc/46/06/21/635460621.db2.gz WXPWIRRCFDSZFS-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC000981814004 635660881 /nfs/dbraw/zinc/66/08/81/635660881.db2.gz UNALLLGKGMUPPF-KRWDZBQOSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)CC[N@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC000981814004 635660886 /nfs/dbraw/zinc/66/08/86/635660886.db2.gz UNALLLGKGMUPPF-KRWDZBQOSA-N 1 3 321.509 2.297 20 0 DEADHO [NH3+][C@@H]1C[C@H](N[C@@H]2CCCN3CCSC[C@H]23)c2ccccc21 ZINC000925824537 635703813 /nfs/dbraw/zinc/70/38/13/635703813.db2.gz ADEBALPWLDEOIO-WCXIOVBPSA-N 1 3 303.475 2.301 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@H+](CC=C(C)C)C2)N(C)C ZINC000982018890 635815152 /nfs/dbraw/zinc/81/51/52/635815152.db2.gz LTMLTLGMOBGMGU-INIZCTEOSA-N 1 3 307.482 2.217 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](CC=C(C)C)C2)N(C)C ZINC000982018890 635815154 /nfs/dbraw/zinc/81/51/54/635815154.db2.gz LTMLTLGMOBGMGU-INIZCTEOSA-N 1 3 307.482 2.217 20 0 DEADHO CCS(=O)(=O)c1ccccc1CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000925835161 635848069 /nfs/dbraw/zinc/84/80/69/635848069.db2.gz QVBCLUAWOFKIGC-ZBFHGGJFSA-N 1 3 324.490 2.000 20 0 DEADHO C[NH+](C)Cc1ccc(C(=O)N2CCCN(CCCF)CC2)cc1 ZINC000982220967 635912037 /nfs/dbraw/zinc/91/20/37/635912037.db2.gz DRQXIVHKLFZJNZ-UHFFFAOYSA-N 1 3 321.440 2.256 20 0 DEADHO Cc1ccc([C@H](C)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c(C)n1 ZINC000925859229 635959290 /nfs/dbraw/zinc/95/92/90/635959290.db2.gz WKYLPORISGUWNH-DZGCQCFKSA-N 1 3 317.433 2.034 20 0 DEADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1ccccc1F)C2 ZINC000922389649 636142454 /nfs/dbraw/zinc/14/24/54/636142454.db2.gz VKALYUWTHJCNRS-BRSBDYLESA-N 1 3 306.425 2.395 20 0 DEADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1ccccc1F)C2 ZINC000922389649 636142457 /nfs/dbraw/zinc/14/24/57/636142457.db2.gz VKALYUWTHJCNRS-BRSBDYLESA-N 1 3 306.425 2.395 20 0 DEADHO Cc1cc(CN2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cs1 ZINC001004146723 636180336 /nfs/dbraw/zinc/18/03/36/636180336.db2.gz ABMOPMHNYSNNPC-HNNXBMFYSA-N 1 3 321.490 2.089 20 0 DEADHO Cc1cc(CN2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)cs1 ZINC001004146723 636180339 /nfs/dbraw/zinc/18/03/39/636180339.db2.gz ABMOPMHNYSNNPC-HNNXBMFYSA-N 1 3 321.490 2.089 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1CC[NH+](CCC2CC2)CC1 ZINC001004204722 636223766 /nfs/dbraw/zinc/22/37/66/636223766.db2.gz VJWCHIUHNWEDKK-HUUCEWRRSA-N 1 3 307.482 2.240 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001028580528 636376171 /nfs/dbraw/zinc/37/61/71/636376171.db2.gz XWFGPQNFRSWKON-ROUUACIJSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001028580528 636376174 /nfs/dbraw/zinc/37/61/74/636376174.db2.gz XWFGPQNFRSWKON-ROUUACIJSA-N 1 3 321.509 2.489 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CC2)CC1 ZINC001004371173 636399480 /nfs/dbraw/zinc/39/94/80/636399480.db2.gz JZPPFVVWMCCMHW-ZWKOTPCHSA-N 1 3 319.493 2.194 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CC2)CC1 ZINC001004371173 636399483 /nfs/dbraw/zinc/39/94/83/636399483.db2.gz JZPPFVVWMCCMHW-ZWKOTPCHSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)[N@H+]1C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)CC[C@@H]2C1 ZINC000946623727 636476135 /nfs/dbraw/zinc/47/61/35/636476135.db2.gz ONALITBOEJMLDU-IYBDPMFKSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[N@@H+]1C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)CC[C@@H]2C1 ZINC000946623727 636476138 /nfs/dbraw/zinc/47/61/38/636476138.db2.gz ONALITBOEJMLDU-IYBDPMFKSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)CC[C@@H]2C1 ZINC000946623932 636476310 /nfs/dbraw/zinc/47/63/10/636476310.db2.gz UZYBZWARMCDAIB-CALCHBBNSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)CC[C@@H]2C1 ZINC000946623932 636476312 /nfs/dbraw/zinc/47/63/12/636476312.db2.gz UZYBZWARMCDAIB-CALCHBBNSA-N 1 3 321.509 2.297 20 0 DEADHO Cc1nn(C(C)C)c(C)c1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000894254616 636577313 /nfs/dbraw/zinc/57/73/13/636577313.db2.gz UILBLRSTYRCOSE-UHFFFAOYSA-N 1 3 321.513 2.196 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946780114 636647836 /nfs/dbraw/zinc/64/78/36/636647836.db2.gz ZSCFEGGEMJBUMN-OKZBNKHCSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946780114 636647840 /nfs/dbraw/zinc/64/78/40/636647840.db2.gz ZSCFEGGEMJBUMN-OKZBNKHCSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)CC3)CC[C@@H]2C1 ZINC000946831025 636854260 /nfs/dbraw/zinc/85/42/60/636854260.db2.gz CHZZEQCQFAACGO-HDICACEKSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)CC3)CC[C@@H]2C1 ZINC000946831025 636854263 /nfs/dbraw/zinc/85/42/63/636854263.db2.gz CHZZEQCQFAACGO-HDICACEKSA-N 1 3 321.509 2.297 20 0 DEADHO c1cc(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2c(c1)OCCO2 ZINC000922943845 636873303 /nfs/dbraw/zinc/87/33/03/636873303.db2.gz CAZSPTJCLHTVNN-CVEARBPZSA-N 1 3 302.418 2.217 20 0 DEADHO c1cc(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c2c(c1)OCCO2 ZINC000922943845 636873309 /nfs/dbraw/zinc/87/33/09/636873309.db2.gz CAZSPTJCLHTVNN-CVEARBPZSA-N 1 3 302.418 2.217 20 0 DEADHO [NH3+]C[C@@H]1CCCN(C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000923279469 637079549 /nfs/dbraw/zinc/07/95/49/637079549.db2.gz BOJSCLFSKLEEIT-KVSKMBFKSA-N 1 3 318.461 2.112 20 0 DEADHO CCCSC[C@@H](C)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000894600594 637118498 /nfs/dbraw/zinc/11/84/98/637118498.db2.gz IEJCEJKNWUIFSO-OAHLLOKOSA-N 1 3 315.527 2.100 20 0 DEADHO c1ccc2c(c1)OC[C@H](CN1CCC([C@H]3CC[NH2+]C3)CC1)O2 ZINC000923358046 637132826 /nfs/dbraw/zinc/13/28/26/637132826.db2.gz WKXZXTFVVOORNK-HOTGVXAUSA-N 1 3 302.418 2.148 20 0 DEADHO O[C@H](CN1CCC([C@H]2CC[NH2+]C2)CC1)c1ccc(F)c(F)c1 ZINC000923356024 637136073 /nfs/dbraw/zinc/13/60/73/637136073.db2.gz DOGUMHPJAOZNJT-WMLDXEAASA-N 1 3 310.388 2.320 20 0 DEADHO Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@@H]2CCCC[C@H]2N)c1C ZINC000923380694 637148989 /nfs/dbraw/zinc/14/89/89/637148989.db2.gz BWJBLGAISKIVKJ-GVDBMIGSSA-N 1 3 306.450 2.211 20 0 DEADHO C[C@@H](C(=O)NC(C)(C)C)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923503865 637218371 /nfs/dbraw/zinc/21/83/71/637218371.db2.gz PYLLLSVPBVFIPL-GJZGRUSLSA-N 1 3 309.498 2.391 20 0 DEADHO OC[C@H]1c2ccccc2OCCN1CCCC1CC[NH2+]CC1 ZINC000923553621 637243522 /nfs/dbraw/zinc/24/35/22/637243522.db2.gz LWCASSWCSJKVSV-KRWDZBQOSA-N 1 3 304.434 2.194 20 0 DEADHO COC(=O)[C@@H]1CCN(Cc2cccc3c2CC[NH2+]C3)[C@H](C)C1 ZINC000923550311 637244965 /nfs/dbraw/zinc/24/49/65/637244965.db2.gz AWKASKZTLMQAIR-ZIAGYGMSSA-N 1 3 302.418 2.106 20 0 DEADHO C[C@@H]([NH2+]CC1CC(C)C1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001029174456 637294273 /nfs/dbraw/zinc/29/42/73/637294273.db2.gz YSIDJHXXOYUKEK-AQFXKWCLSA-N 1 3 321.509 2.345 20 0 DEADHO COCCOC[C@H](C)[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000895694060 638147592 /nfs/dbraw/zinc/14/75/92/638147592.db2.gz QNNQALOZVFFXMF-ZIFCJYIRSA-N 1 3 320.477 2.396 20 0 DEADHO CN1CCC(C[NH2+]C2CCS(=O)CC2)(c2ccccc2)CC1 ZINC000895825177 638218423 /nfs/dbraw/zinc/21/84/23/638218423.db2.gz FKXUHVWGZBCDEN-UHFFFAOYSA-N 1 3 320.502 2.151 20 0 DEADHO CC(C)[NH+]1CCC(CCNC(=O)N(C)[C@@H]2CCCN(C)C2)CC1 ZINC000896122080 638372787 /nfs/dbraw/zinc/37/27/87/638372787.db2.gz OCVWAHVZUBIJBT-QGZVFWFLSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CC3=CCCCC3)C2)C1 ZINC000984803255 638693148 /nfs/dbraw/zinc/69/31/48/638693148.db2.gz HFODRDCZLWEPSH-SZMVWBNQSA-N 1 3 319.493 2.313 20 0 DEADHO C[N@H+](CC1CCC1)C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001029840524 639535754 /nfs/dbraw/zinc/53/57/54/639535754.db2.gz BVSWBONGWLQESM-QGZVFWFLSA-N 1 3 321.509 2.299 20 0 DEADHO C[N@@H+](CC1CCC1)C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001029840524 639535756 /nfs/dbraw/zinc/53/57/56/639535756.db2.gz BVSWBONGWLQESM-QGZVFWFLSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@@H](CC[NH2+][C@@H]1C(=O)NCC1(C)C)N(C)Cc1ccccc1 ZINC000925208827 639591471 /nfs/dbraw/zinc/59/14/71/639591471.db2.gz RMQUUVJCAFOXEJ-GOEBONIOSA-N 1 3 303.450 2.011 20 0 DEADHO CC1CCN(CC(=O)N2CCC([N@H+](C)CC3CC3)CC2)CC1 ZINC000985712392 639595715 /nfs/dbraw/zinc/59/57/15/639595715.db2.gz HVRXWUBVOFDZAD-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO CC1CCN(CC(=O)N2CCC([N@@H+](C)CC3CC3)CC2)CC1 ZINC000985712392 639595718 /nfs/dbraw/zinc/59/57/18/639595718.db2.gz HVRXWUBVOFDZAD-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO CN1CCCC[C@@H]1CC[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000839576652 639759168 /nfs/dbraw/zinc/75/91/68/639759168.db2.gz PYIIFUJYNPWNAC-HZPDHXFCSA-N 1 3 306.454 2.030 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[N@H+](C)CC2CC2)CC1 ZINC001030014701 640052318 /nfs/dbraw/zinc/05/23/18/640052318.db2.gz IHGDDKLUINONEH-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CC2CC2)CC1 ZINC001030014701 640052321 /nfs/dbraw/zinc/05/23/21/640052321.db2.gz IHGDDKLUINONEH-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C)cs1 ZINC000987531769 640213895 /nfs/dbraw/zinc/21/38/95/640213895.db2.gz OECXAVLNUXXKMA-ZBFHGGJFSA-N 1 3 321.490 2.231 20 0 DEADHO CCCC[C@@H](C[NH3+])NC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000841848837 650578744 /nfs/dbraw/zinc/57/87/44/650578744.db2.gz XWLGOJOJMFCIIM-QWHCGFSZSA-N 1 3 312.845 2.067 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](O)c2ccco2)[C@@H](C)C1 ZINC000764767188 640690968 /nfs/dbraw/zinc/69/09/68/640690968.db2.gz GFOIHRGWRSASRF-HRCADAONSA-N 1 3 310.438 2.040 20 0 DEADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCC[S@](C)=O)CC2)C1 ZINC000766053067 640842921 /nfs/dbraw/zinc/84/29/21/640842921.db2.gz DILHZNNUNQAFKO-IIMJZQEZSA-N 1 3 300.512 2.388 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]C2CCNCC2)C1 ZINC000841030701 640851148 /nfs/dbraw/zinc/85/11/48/640851148.db2.gz UGRDIRNZGIIUHX-YPMHNXCESA-N 1 3 304.381 2.085 20 0 DEADHO CCCN1CCN(c2ccccc2C[N@@H+]2C[C@@H](C)[C@H](O)C2)CC1 ZINC000897679998 640900158 /nfs/dbraw/zinc/90/01/58/640900158.db2.gz DQMJTTKFCPKMSQ-VQIMIIECSA-N 1 3 317.477 2.031 20 0 DEADHO CCCN1CCN(c2ccccc2C[N@H+]2C[C@@H](C)[C@H](O)C2)CC1 ZINC000897679998 640900162 /nfs/dbraw/zinc/90/01/62/640900162.db2.gz DQMJTTKFCPKMSQ-VQIMIIECSA-N 1 3 317.477 2.031 20 0 DEADHO COc1ccc2c(c1)[nH+]ccc2N1C[C@H](C)N(CCO)C[C@@H]1C ZINC000842046124 650633989 /nfs/dbraw/zinc/63/39/89/650633989.db2.gz PVEJXMLXXFBPKG-KBPBESRZSA-N 1 3 315.417 2.135 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CCC2CC2)CN1C(=O)CN1CCC(C)CC1 ZINC000989606874 641167775 /nfs/dbraw/zinc/16/77/75/641167775.db2.gz WKEJZFALAFYTOK-NVXWUHKLSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](F)CCN1CCCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000989734815 641210023 /nfs/dbraw/zinc/21/00/23/641210023.db2.gz FNXUURWXILZKOG-INIZCTEOSA-N 1 3 313.461 2.145 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)cc1 ZINC000989800945 641230056 /nfs/dbraw/zinc/23/00/56/641230056.db2.gz WDLHACKRLXILAX-WMZOPIPTSA-N 1 3 315.461 2.170 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC2=CCCCC2)CN1C(=O)CN1CCCC1 ZINC000989800859 641230134 /nfs/dbraw/zinc/23/01/34/641230134.db2.gz WCVOXRLCMYNIEK-WBVHZDCISA-N 1 3 305.466 2.162 20 0 DEADHO CCc1noc(C)c1[C@H](C)NCCN1CCC([NH+](C)C)CC1 ZINC000769874321 641304778 /nfs/dbraw/zinc/30/47/78/641304778.db2.gz KOYHDONDAGWZOU-ZDUSSCGKSA-N 1 3 308.470 2.222 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001014507791 641366993 /nfs/dbraw/zinc/36/69/93/641366993.db2.gz LBXFDWMVUQONKM-OKZBNKHCSA-N 1 3 319.493 2.408 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(CC3=CCCCC3)C2)CC[N@H+]1C ZINC001014507791 641366997 /nfs/dbraw/zinc/36/69/97/641366997.db2.gz LBXFDWMVUQONKM-OKZBNKHCSA-N 1 3 319.493 2.408 20 0 DEADHO Cc1cc(C[NH2+]C2CCN(C(=O)[C@H]3CCCN3C)CC2)cs1 ZINC000990276406 641429684 /nfs/dbraw/zinc/42/96/84/641429684.db2.gz IVAONLRVLBOCOU-MRXNPFEDSA-N 1 3 321.490 2.231 20 0 DEADHO COCCN(C)CCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000924655500 641547602 /nfs/dbraw/zinc/54/76/02/641547602.db2.gz KHIQOWAXWBAXOD-IEBWSBKVSA-N 1 3 319.493 2.207 20 0 DEADHO COc1ccc([C@@H](NC(C)C)C(=O)NCC[C@H](C)[NH+](C)C)cc1 ZINC000898668798 641747815 /nfs/dbraw/zinc/74/78/15/641747815.db2.gz KKDMCNYOBMYINM-WMLDXEAASA-N 1 3 321.465 2.191 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(CC3CN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000779478293 642504496 /nfs/dbraw/zinc/50/44/96/642504496.db2.gz OLODLHWHUWCKQP-HZPDHXFCSA-N 1 3 323.481 2.269 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(CC3CN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000779478293 642504499 /nfs/dbraw/zinc/50/44/99/642504499.db2.gz OLODLHWHUWCKQP-HZPDHXFCSA-N 1 3 323.481 2.269 20 0 DEADHO CN1CCC[C@@H]2C[N@H+](CC3CN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000779478293 642504505 /nfs/dbraw/zinc/50/45/05/642504505.db2.gz OLODLHWHUWCKQP-HZPDHXFCSA-N 1 3 323.481 2.269 20 0 DEADHO CN1CCC[C@@H]2C[N@@H+](CC3CN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000779478293 642504509 /nfs/dbraw/zinc/50/45/09/642504509.db2.gz OLODLHWHUWCKQP-HZPDHXFCSA-N 1 3 323.481 2.269 20 0 DEADHO O=C(NCC[NH2+]C1CCN(CC2CC2)CC1)c1ccc(F)cc1 ZINC000783551160 643019659 /nfs/dbraw/zinc/01/96/59/643019659.db2.gz IQJITQZOGMYWJA-UHFFFAOYSA-N 1 3 319.424 2.020 20 0 DEADHO O=C1Nc2ccccc2C12CCC([NH2+][C@@H]1C[C@@H]3CC[C@H]1N3)CC2 ZINC000902467875 643050673 /nfs/dbraw/zinc/05/06/73/643050673.db2.gz QRFKUZAEOWBIPF-PCHUSTIJSA-N 1 3 311.429 2.302 20 0 DEADHO FC(F)CN1CCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903205973 643288284 /nfs/dbraw/zinc/28/82/84/643288284.db2.gz NJJPTVBQNWOCKI-YPAMNDHTSA-N 1 3 313.436 2.463 20 0 DEADHO FC(F)CN1CCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903205973 643288292 /nfs/dbraw/zinc/28/82/92/643288292.db2.gz NJJPTVBQNWOCKI-YPAMNDHTSA-N 1 3 313.436 2.463 20 0 DEADHO COC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H]1CCCOC1 ZINC000903221895 643294495 /nfs/dbraw/zinc/29/44/95/643294495.db2.gz UKTOSOWQXQJPEE-HJYMDDGLSA-N 1 3 308.466 2.175 20 0 DEADHO COC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H]1CCCOC1 ZINC000903221895 643294496 /nfs/dbraw/zinc/29/44/96/643294496.db2.gz UKTOSOWQXQJPEE-HJYMDDGLSA-N 1 3 308.466 2.175 20 0 DEADHO COC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H]1CCCOC1 ZINC000903221894 643294540 /nfs/dbraw/zinc/29/45/40/643294540.db2.gz UKTOSOWQXQJPEE-BDFJQQSHSA-N 1 3 308.466 2.175 20 0 DEADHO COC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H]1CCCOC1 ZINC000903221894 643294543 /nfs/dbraw/zinc/29/45/43/643294543.db2.gz UKTOSOWQXQJPEE-BDFJQQSHSA-N 1 3 308.466 2.175 20 0 DEADHO [NH3+][C@@H]1CC[C@H](CN2CCN(C(=O)CCC3CCCC3)CC2)C1 ZINC000903431610 643347662 /nfs/dbraw/zinc/34/76/62/643347662.db2.gz RSKCJQRMGGDBPR-DLBZAZTESA-N 1 3 307.482 2.228 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000903434509 643348346 /nfs/dbraw/zinc/34/83/46/643348346.db2.gz GUULXAAIIXTQRP-SKDZVZGDSA-N 1 3 306.425 2.427 20 0 DEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000903491018 643368611 /nfs/dbraw/zinc/36/86/11/643368611.db2.gz RDQOQGJUDVGROY-ANULTFPQSA-N 1 3 322.452 2.191 20 0 DEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000903491018 643368614 /nfs/dbraw/zinc/36/86/14/643368614.db2.gz RDQOQGJUDVGROY-ANULTFPQSA-N 1 3 322.452 2.191 20 0 DEADHO FC(F)(F)[C@H]1CCCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903718629 643437766 /nfs/dbraw/zinc/43/77/66/643437766.db2.gz PVAGJTOCUNKZSU-QWHCGFSZSA-N 1 3 306.372 2.419 20 0 DEADHO CN(CCOc1ccccc1Cl)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717533 643437845 /nfs/dbraw/zinc/43/78/45/643437845.db2.gz BKVWRDZDKJDDLN-YOEHRIQHSA-N 1 3 324.852 2.419 20 0 DEADHO Cc1cc(C)nc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000903760666 643452630 /nfs/dbraw/zinc/45/26/30/643452630.db2.gz JEIYMHPKIHNLTI-WMZOPIPTSA-N 1 3 303.450 2.417 20 0 DEADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N([C@H]1CCCN(c3cccc(F)c3)C1=O)C2 ZINC000903843644 643481482 /nfs/dbraw/zinc/48/14/82/643481482.db2.gz OXOWFDKDOFRBJO-YVVXQTMVSA-N 1 3 317.408 2.133 20 0 DEADHO CN(CC(=O)N(C)C1CCCCC1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903879519 643495272 /nfs/dbraw/zinc/49/52/72/643495272.db2.gz CQGTWIBECKQHEJ-MQVJKMGUSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)(C)CNC(=O)C(C)(C)NCc1cccc2c1CC[NH2+]C2 ZINC000903902402 643502257 /nfs/dbraw/zinc/50/22/57/643502257.db2.gz FXEKJRNYDHALIO-UHFFFAOYSA-N 1 3 317.477 2.363 20 0 DEADHO Cc1c(C[C@H](CN)C[NH2+]CCc2ccccc2Cl)cnn1C ZINC000903919245 643508098 /nfs/dbraw/zinc/50/80/98/643508098.db2.gz BWQVGTZKBZODTJ-CQSZACIVSA-N 1 3 320.868 2.332 20 0 DEADHO COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904322165 643636778 /nfs/dbraw/zinc/63/67/78/643636778.db2.gz QKUULFMCBZZWMZ-IJEWVQPXSA-N 1 3 317.433 2.144 20 0 DEADHO COc1ccc(CCNC[C@@]2(C)CCC[NH2+]C2)c(OC)c1OC ZINC000904364936 643650465 /nfs/dbraw/zinc/65/04/65/643650465.db2.gz UKMARFSUMHOFBP-SFHVURJKSA-N 1 3 322.449 2.234 20 0 DEADHO C[C@H](CNC[C@@H](O)CC[C@H](O)c1ccccc1)C[NH+]1CCCC1 ZINC000905054900 643773531 /nfs/dbraw/zinc/77/35/31/643773531.db2.gz LAWORCGUIRSNDQ-NEWSRXKRSA-N 1 3 320.477 2.183 20 0 DEADHO CC(C)CN1CCC([NH2+]C[C@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000905066472 643785591 /nfs/dbraw/zinc/78/55/91/643785591.db2.gz RSORHXZGSNHQMF-MOPGFXCFSA-N 1 3 320.477 2.181 20 0 DEADHO O[C@@H](CCC1(O)CCC1)CNC1CC[NH+](C2CCCC2)CC1 ZINC000905156143 643801505 /nfs/dbraw/zinc/80/15/05/643801505.db2.gz RWDPMYZHCQSOHY-KRWDZBQOSA-N 1 3 310.482 2.039 20 0 DEADHO O[C@@H](CCC1(O)CCC1)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000905156143 643801506 /nfs/dbraw/zinc/80/15/06/643801506.db2.gz RWDPMYZHCQSOHY-KRWDZBQOSA-N 1 3 310.482 2.039 20 0 DEADHO CCSc1ccccc1CCNC[C@H](O)C[N@H+](C)C1CC1 ZINC000905563993 643951233 /nfs/dbraw/zinc/95/12/33/643951233.db2.gz JJOJLDCJAGXTPW-INIZCTEOSA-N 1 3 308.491 2.386 20 0 DEADHO CCSc1ccccc1CCNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000905563993 643951236 /nfs/dbraw/zinc/95/12/36/643951236.db2.gz JJOJLDCJAGXTPW-INIZCTEOSA-N 1 3 308.491 2.386 20 0 DEADHO CC(C)C[C@@H](N)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000906085369 644133404 /nfs/dbraw/zinc/13/34/04/644133404.db2.gz LWAFEFHYTGDFSC-BRWVUGGUSA-N 1 3 309.498 2.473 20 0 DEADHO CC(C)C[C@@H](N)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000906085369 644133406 /nfs/dbraw/zinc/13/34/06/644133406.db2.gz LWAFEFHYTGDFSC-BRWVUGGUSA-N 1 3 309.498 2.473 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000907762674 644635483 /nfs/dbraw/zinc/63/54/83/644635483.db2.gz MJLASZMXGGRDMJ-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000907762674 644635496 /nfs/dbraw/zinc/63/54/96/644635496.db2.gz MJLASZMXGGRDMJ-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000907762671 644635751 /nfs/dbraw/zinc/63/57/51/644635751.db2.gz MJLASZMXGGRDMJ-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000907762671 644635753 /nfs/dbraw/zinc/63/57/53/644635753.db2.gz MJLASZMXGGRDMJ-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(C)(C)N1CCCCC1 ZINC000908153564 644754859 /nfs/dbraw/zinc/75/48/59/644754859.db2.gz ZEEUJYMSBLHERA-HZPDHXFCSA-N 1 3 307.482 2.336 20 0 DEADHO COc1ccc2c(CN3CCC([C@H](C)[NH3+])CC3)cc(=O)oc2c1 ZINC000843348548 650954197 /nfs/dbraw/zinc/95/41/97/650954197.db2.gz JQVDZCJJPUNQJN-LBPRGKRZSA-N 1 3 316.401 2.361 20 0 DEADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000908421342 644866234 /nfs/dbraw/zinc/86/62/34/644866234.db2.gz CBLNWQNDKKFSEM-GOSISDBHSA-N 1 3 307.482 2.195 20 0 DEADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000908421342 644866237 /nfs/dbraw/zinc/86/62/37/644866237.db2.gz CBLNWQNDKKFSEM-GOSISDBHSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)[C@H](C(=O)OC[C@@H]1CCC[N@@H+]1Cc1ccco1)N(C)C ZINC000798846399 645088311 /nfs/dbraw/zinc/08/83/11/645088311.db2.gz VZYXKBNEZAKXRA-GOEBONIOSA-N 1 3 308.422 2.373 20 0 DEADHO CC(C)[C@H](C(=O)OC[C@@H]1CCC[N@H+]1Cc1ccco1)N(C)C ZINC000798846399 645088315 /nfs/dbraw/zinc/08/83/15/645088315.db2.gz VZYXKBNEZAKXRA-GOEBONIOSA-N 1 3 308.422 2.373 20 0 DEADHO CCC[NH+](CCC)CCCC(=O)N[C@@]1(C)CN2CCC1CC2 ZINC000912380199 646039780 /nfs/dbraw/zinc/03/97/80/646039780.db2.gz QWMHAECGUOBQLW-SFHVURJKSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810097203 646323526 /nfs/dbraw/zinc/32/35/26/646323526.db2.gz GGFGEGDXIKRKGF-RHSMWYFYSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810097203 646323527 /nfs/dbraw/zinc/32/35/27/646323527.db2.gz GGFGEGDXIKRKGF-RHSMWYFYSA-N 1 3 313.461 2.190 20 0 DEADHO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810260895 646345711 /nfs/dbraw/zinc/34/57/11/646345711.db2.gz ADLXOZDISVCJQB-RHSMWYFYSA-N 1 3 313.461 2.047 20 0 DEADHO CC[N@H+]1CCC[C@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810260895 646345715 /nfs/dbraw/zinc/34/57/15/646345715.db2.gz ADLXOZDISVCJQB-RHSMWYFYSA-N 1 3 313.461 2.047 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000812394669 646649069 /nfs/dbraw/zinc/64/90/69/646649069.db2.gz UZOHWFDBXIJZAX-YOEHRIQHSA-N 1 3 315.477 2.436 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000812394669 646649070 /nfs/dbraw/zinc/64/90/70/646649070.db2.gz UZOHWFDBXIJZAX-YOEHRIQHSA-N 1 3 315.477 2.436 20 0 DEADHO CC(C)Oc1cccc([C@H](O)CN[C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000817895955 647375042 /nfs/dbraw/zinc/37/50/42/647375042.db2.gz XZSLAUIQQYMRGS-FHLIZLRMSA-N 1 3 306.450 2.485 20 0 DEADHO O[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccco1 ZINC000817913886 647379922 /nfs/dbraw/zinc/37/99/22/647379922.db2.gz PHNWMFXKOATLBB-RKVPGOIHSA-N 1 3 314.385 2.159 20 0 DEADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCOC2=O)cc1 ZINC000817921659 647382139 /nfs/dbraw/zinc/38/21/39/647382139.db2.gz GBIBMMWXINGESA-HZPDHXFCSA-N 1 3 303.406 2.393 20 0 DEADHO C[C@H]1C[C@H](NCCC(=O)Nc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000819105593 647584628 /nfs/dbraw/zinc/58/46/28/647584628.db2.gz MYYZHDSVLMBLDI-GOEBONIOSA-N 1 3 318.465 2.154 20 0 DEADHO C[C@H]1C[C@H](NCCC(=O)Nc2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000819105593 647584632 /nfs/dbraw/zinc/58/46/32/647584632.db2.gz MYYZHDSVLMBLDI-GOEBONIOSA-N 1 3 318.465 2.154 20 0 DEADHO Cc1cc(C)cc([C@H](O)CNCCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000819264810 647620903 /nfs/dbraw/zinc/62/09/03/647620903.db2.gz GEIVPGVHUBMESH-PKOBYXMFSA-N 1 3 320.477 2.427 20 0 DEADHO Cc1cc(C)cc([C@H](O)CNCCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000819264810 647620907 /nfs/dbraw/zinc/62/09/07/647620907.db2.gz GEIVPGVHUBMESH-PKOBYXMFSA-N 1 3 320.477 2.427 20 0 DEADHO Cc1cc(F)ccc1[C@@H](O)CNCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000819265439 647620938 /nfs/dbraw/zinc/62/09/38/647620938.db2.gz PCMXNHAFQASIBD-QAPCUYQASA-N 1 3 324.440 2.258 20 0 DEADHO Cc1cc(F)ccc1[C@@H](O)CNCCC[N@H+]1CCCO[C@H](C)C1 ZINC000819265439 647620943 /nfs/dbraw/zinc/62/09/43/647620943.db2.gz PCMXNHAFQASIBD-QAPCUYQASA-N 1 3 324.440 2.258 20 0 DEADHO C[C@H]1[C@@H](NC(=O)C23CCCN2CCC3)CCC[N@@H+]1CC1CCC1 ZINC000993526034 647689963 /nfs/dbraw/zinc/68/99/63/647689963.db2.gz GAIMEXDTUOSJGD-RDJZCZTQSA-N 1 3 319.493 2.384 20 0 DEADHO C[C@H]1[C@@H](NC(=O)C23CCCN2CCC3)CCC[N@H+]1CC1CCC1 ZINC000993526034 647689967 /nfs/dbraw/zinc/68/99/67/647689967.db2.gz GAIMEXDTUOSJGD-RDJZCZTQSA-N 1 3 319.493 2.384 20 0 DEADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H]1CCCC2(CCC2)O1 ZINC000930114888 648203582 /nfs/dbraw/zinc/20/35/82/648203582.db2.gz UTRCEUFDBFNLDQ-SFHVURJKSA-N 1 3 323.525 2.436 20 0 DEADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H]1CCCC2(CCC2)O1 ZINC000930114888 648203585 /nfs/dbraw/zinc/20/35/85/648203585.db2.gz UTRCEUFDBFNLDQ-SFHVURJKSA-N 1 3 323.525 2.436 20 0 DEADHO OC[C@H](CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)Cc1ccco1 ZINC000925477465 648204566 /nfs/dbraw/zinc/20/45/66/648204566.db2.gz QYAZXOCFRZKSNQ-WBAXXEDZSA-N 1 3 306.450 2.189 20 0 DEADHO OC[C@H](C[NH2+][C@H]1CCNC[C@H]1C1CCCC1)Cc1ccco1 ZINC000925477465 648204569 /nfs/dbraw/zinc/20/45/69/648204569.db2.gz QYAZXOCFRZKSNQ-WBAXXEDZSA-N 1 3 306.450 2.189 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261558370 648580706 /nfs/dbraw/zinc/58/07/06/648580706.db2.gz YFPGJGMAQQZGSD-CVEARBPZSA-N 1 3 303.450 2.013 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000827406825 649029548 /nfs/dbraw/zinc/02/95/48/649029548.db2.gz QGONHPDBUCAJNB-MOPGFXCFSA-N 1 3 323.525 2.436 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1CN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000827406825 649029550 /nfs/dbraw/zinc/02/95/50/649029550.db2.gz QGONHPDBUCAJNB-MOPGFXCFSA-N 1 3 323.525 2.436 20 0 DEADHO [NH3+][C@H](CC(=O)N[C@H](CN1CCCCC1)c1ccccc1)C1CC1 ZINC000831826424 649647348 /nfs/dbraw/zinc/64/73/48/649647348.db2.gz BOLYEUFTHYWPSV-QZTJIDSGSA-N 1 3 315.461 2.457 20 0 DEADHO [NH3+][C@@H](CC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)C1CC1 ZINC000831826425 649647621 /nfs/dbraw/zinc/64/76/21/649647621.db2.gz BOLYEUFTHYWPSV-ROUUACIJSA-N 1 3 315.461 2.457 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N2CCC([C@@H](C)[NH3+])CC2)cc(Cl)n1 ZINC000832592585 649727520 /nfs/dbraw/zinc/72/75/20/649727520.db2.gz ZNYZXZWRHLZANY-BXUZGUMPSA-N 1 3 324.856 2.019 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000834764761 649841575 /nfs/dbraw/zinc/84/15/75/649841575.db2.gz KTIMZMFACZEXBZ-PQUAAJSLSA-N 1 3 307.482 2.382 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000844164155 651085188 /nfs/dbraw/zinc/08/51/88/651085188.db2.gz IDMMOCGAMIOUPH-ZIAGYGMSSA-N 1 3 301.434 2.297 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NOC3CCCC3)CC2)CC1 ZINC000847663331 651409157 /nfs/dbraw/zinc/40/91/57/651409157.db2.gz VJJAFQZGRXUVKW-UHFFFAOYSA-N 1 3 323.481 2.173 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C\c1cccs1 ZINC000855345685 651679997 /nfs/dbraw/zinc/67/99/97/651679997.db2.gz GHASWIGIMRSRDS-CKXPSTMWSA-N 1 3 309.479 2.150 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C\c1cccs1 ZINC000855345685 651680001 /nfs/dbraw/zinc/68/00/01/651680001.db2.gz GHASWIGIMRSRDS-CKXPSTMWSA-N 1 3 309.479 2.150 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000855346671 651680061 /nfs/dbraw/zinc/68/00/61/651680061.db2.gz ITKYDBNYTKTOMB-RYQLBKOJSA-N 1 3 317.477 2.178 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000855346671 651680065 /nfs/dbraw/zinc/68/00/65/651680065.db2.gz ITKYDBNYTKTOMB-RYQLBKOJSA-N 1 3 317.477 2.178 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C\c1ccccc1F ZINC000855346330 651680205 /nfs/dbraw/zinc/68/02/05/651680205.db2.gz WZPKKBALIWCVIQ-WOLCWHLNSA-N 1 3 321.440 2.227 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C\c1ccccc1F ZINC000855346330 651680209 /nfs/dbraw/zinc/68/02/09/651680209.db2.gz WZPKKBALIWCVIQ-WOLCWHLNSA-N 1 3 321.440 2.227 20 0 DEADHO CCc1ccc([C@H](CNC(=O)C=C2CC[NH2+]CC2)N(C)C)cc1 ZINC000852855015 652470444 /nfs/dbraw/zinc/47/04/44/652470444.db2.gz TZIWPWJIDCWSBW-SFHVURJKSA-N 1 3 315.461 2.278 20 0 DEADHO CC(C)[C@H]([NH3+])CCN[C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000854230647 652662509 /nfs/dbraw/zinc/66/25/09/652662509.db2.gz VNVKSKNIWREJPK-CZUORRHYSA-N 1 3 304.438 2.240 20 0 DEADHO CCC[N@@H+](CCNC(=O)[C@@H]1CCCCN1CC)CC1CCC1 ZINC001391144452 1156173951 /nfs/dbraw/zinc/17/39/51/1156173951.db2.gz LLNRPSRHHXNZSC-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CC[N@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)Cc1ccccc1 ZINC001372402426 1156390439 /nfs/dbraw/zinc/39/04/39/1156390439.db2.gz BCJDLQNNFQVHHR-QGZVFWFLSA-N 1 3 305.466 2.211 20 0 DEADHO CC[N@@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)Cc1ccccc1 ZINC001372402426 1156390442 /nfs/dbraw/zinc/39/04/42/1156390442.db2.gz BCJDLQNNFQVHHR-QGZVFWFLSA-N 1 3 305.466 2.211 20 0 DEADHO CC[C@@H](F)CN1CC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001372685014 1156682609 /nfs/dbraw/zinc/68/26/09/1156682609.db2.gz VAXAMUCFANMNAS-JKSUJKDBSA-N 1 3 313.461 2.049 20 0 DEADHO C[C@@H]([NH2+]CC[C@H](C)F)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001373031281 1156842243 /nfs/dbraw/zinc/84/22/43/1156842243.db2.gz LOEGKCONCVHUNW-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H]1[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCN1C ZINC000928440841 693779352 /nfs/dbraw/zinc/77/93/52/693779352.db2.gz LVORDLPDJTVSHK-YJBOKZPZSA-N 1 3 315.461 2.495 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)N(C)C ZINC000131916456 684203896 /nfs/dbraw/zinc/20/38/96/684203896.db2.gz XCEKVMXNNVIUIQ-NXHRZFHOSA-N 1 3 317.477 2.496 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)N(C)C ZINC000131916456 684203899 /nfs/dbraw/zinc/20/38/99/684203899.db2.gz XCEKVMXNNVIUIQ-NXHRZFHOSA-N 1 3 317.477 2.496 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000928838554 693853439 /nfs/dbraw/zinc/85/34/39/693853439.db2.gz KXWMUJURVOKOMC-INMHGKMJSA-N 1 3 318.465 2.063 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@]2(CC[N@H+](CC3CC3)C2)C1)N(C)C ZINC001054154213 693865022 /nfs/dbraw/zinc/86/50/22/693865022.db2.gz RPTUIUZTBDXCMF-SJLPKXTDSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@]2(CC[N@@H+](CC3CC3)C2)C1)N(C)C ZINC001054154213 693865026 /nfs/dbraw/zinc/86/50/26/693865026.db2.gz RPTUIUZTBDXCMF-SJLPKXTDSA-N 1 3 307.482 2.051 20 0 DEADHO CCCN1Cc2ccc(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)cc2C1 ZINC001054281611 693912614 /nfs/dbraw/zinc/91/26/14/693912614.db2.gz RUZVASDTSURMOC-KDOFPFPSSA-N 1 3 315.461 2.226 20 0 DEADHO CCCN1Cc2ccc(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)cc2C1 ZINC001054281611 693912619 /nfs/dbraw/zinc/91/26/19/693912619.db2.gz RUZVASDTSURMOC-KDOFPFPSSA-N 1 3 315.461 2.226 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC2CC(C)C2)C1)N(C)C ZINC001054296259 693918884 /nfs/dbraw/zinc/91/88/84/693918884.db2.gz FDMWHIQGQPLUMO-BACDZXNISA-N 1 3 309.498 2.199 20 0 DEADHO CC[C@@](O)(CN1CCC(C[NH+]2CCCC2)CC1)C(F)(F)F ZINC000929276781 693929233 /nfs/dbraw/zinc/92/92/33/693929233.db2.gz RDETXKSMQTXZPV-CQSZACIVSA-N 1 3 308.388 2.498 20 0 DEADHO CO[C@H]1CN(C)[C@@](C)(COC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000861354461 686059831 /nfs/dbraw/zinc/05/98/31/686059831.db2.gz VUCBUFQGPBQQDT-SJLPKXTDSA-N 1 3 320.433 2.014 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@H](N[C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000863484917 686509068 /nfs/dbraw/zinc/50/90/68/686509068.db2.gz PYQWCZNNOCTHKA-QNWHQSFQSA-N 1 3 304.381 2.084 20 0 DEADHO [NH2+]=C(NCCN1CCCCCC1)Nc1ccc(CCO)cc1 ZINC000864453636 686725211 /nfs/dbraw/zinc/72/52/11/686725211.db2.gz YDDZTUMVCKFNMG-UHFFFAOYSA-N 1 3 304.438 2.034 20 0 DEADHO CC(C)[NH+]1CCC(O)(CNCc2cc(F)ccc2N(C)C)CC1 ZINC000865491564 687232731 /nfs/dbraw/zinc/23/27/31/687232731.db2.gz IHMKDXRETMXVOT-UHFFFAOYSA-N 1 3 323.456 2.217 20 0 DEADHO O=c1[nH]ccc2oc(CNCC3CC[NH+](C4CC4)CC3)cc21 ZINC000865545358 687254825 /nfs/dbraw/zinc/25/48/25/687254825.db2.gz HUWCMYYHMIPTHA-UHFFFAOYSA-N 1 3 301.390 2.497 20 0 DEADHO Cc1ccccc1CN1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001015998808 687494321 /nfs/dbraw/zinc/49/43/21/687494321.db2.gz QXNGUXSVMBVTTE-FUHWJXTLSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccccc1CN1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001015998808 687494324 /nfs/dbraw/zinc/49/43/24/687494324.db2.gz QXNGUXSVMBVTTE-FUHWJXTLSA-N 1 3 315.461 2.027 20 0 DEADHO C[C@H]1CCc2ccc(F)cc2[C@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000866270797 687516712 /nfs/dbraw/zinc/51/67/12/687516712.db2.gz VPQCDNQALPGWQR-GUYCJALGSA-N 1 3 306.425 2.495 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](C(C)C)CC2 ZINC001016651939 687675007 /nfs/dbraw/zinc/67/50/07/687675007.db2.gz LOWXDCJYGBEOMM-HZPDHXFCSA-N 1 3 307.482 2.240 20 0 DEADHO CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001016862145 687721148 /nfs/dbraw/zinc/72/11/48/687721148.db2.gz RYGSRDGNHQESNQ-HOTGVXAUSA-N 1 3 307.482 2.240 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[N@H+](C)C(C)C)C1 ZINC001017268344 687849508 /nfs/dbraw/zinc/84/95/08/687849508.db2.gz ZBEFMWOVENVXQB-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)C(C)C)C1 ZINC001017268344 687849516 /nfs/dbraw/zinc/84/95/16/687849516.db2.gz ZBEFMWOVENVXQB-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001017616911 687924438 /nfs/dbraw/zinc/92/44/38/687924438.db2.gz GJQVUZDKTYHRNE-YESZJQIVSA-N 1 3 307.482 2.333 20 0 DEADHO CC(C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001017616911 687924444 /nfs/dbraw/zinc/92/44/44/687924444.db2.gz GJQVUZDKTYHRNE-YESZJQIVSA-N 1 3 307.482 2.333 20 0 DEADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001017848639 687972318 /nfs/dbraw/zinc/97/23/18/687972318.db2.gz DNJFXQUMJLZGME-XLAORIBOSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001017848639 687972321 /nfs/dbraw/zinc/97/23/21/687972321.db2.gz DNJFXQUMJLZGME-XLAORIBOSA-N 1 3 321.509 2.438 20 0 DEADHO CC1CC(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CN2CC[C@H](C)C2)C1 ZINC001017943249 688007368 /nfs/dbraw/zinc/00/73/68/688007368.db2.gz CDFUTPMMFAEZGN-VLMYXLFRSA-N 1 3 319.493 2.050 20 0 DEADHO CC1CC(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CN2CC[C@H](C)C2)C1 ZINC001017943249 688007374 /nfs/dbraw/zinc/00/73/74/688007374.db2.gz CDFUTPMMFAEZGN-VLMYXLFRSA-N 1 3 319.493 2.050 20 0 DEADHO CC(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCC[C@H]1C ZINC001017942687 688007520 /nfs/dbraw/zinc/00/75/20/688007520.db2.gz SZFHVUKLENJDSR-ZACQAIPSSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCC[C@H]1C ZINC001017942687 688007523 /nfs/dbraw/zinc/00/75/23/688007523.db2.gz SZFHVUKLENJDSR-ZACQAIPSSA-N 1 3 307.482 2.192 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001018630830 688188728 /nfs/dbraw/zinc/18/87/28/688188728.db2.gz AOSRDXIHPVACPN-DLBZAZTESA-N 1 3 321.509 2.488 20 0 DEADHO CCc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1 ZINC001018635235 688190497 /nfs/dbraw/zinc/19/04/97/688190497.db2.gz OFYQUTWKTLUFCS-ZWKOTPCHSA-N 1 3 315.461 2.034 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCC2CCCC2)C1)C1CC1 ZINC001018966411 688262602 /nfs/dbraw/zinc/26/26/02/688262602.db2.gz HZCZAVVVDGKASP-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1)N(C)C ZINC001019032139 688273330 /nfs/dbraw/zinc/27/33/30/688273330.db2.gz HYHPLTSSLJZPGL-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cccc(Cl)c2)C1)N(C)C ZINC001019034541 688274668 /nfs/dbraw/zinc/27/46/68/688274668.db2.gz GSARCBPZENWDFT-JKSUJKDBSA-N 1 3 323.868 2.371 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001019341037 688332922 /nfs/dbraw/zinc/33/29/22/688332922.db2.gz UCPCGNVIVYBMBK-ZWKOTPCHSA-N 1 3 317.477 2.272 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)cc1 ZINC001019380717 688342169 /nfs/dbraw/zinc/34/21/69/688342169.db2.gz KEVFNMWOSPFLLW-AEFFLSMTSA-N 1 3 315.461 2.170 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001019380497 688342202 /nfs/dbraw/zinc/34/22/02/688342202.db2.gz BKSLSGFEOSWHIM-YOEHRIQHSA-N 1 3 319.424 2.001 20 0 DEADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](NCc2ccccc2F)C1 ZINC001019380813 688343288 /nfs/dbraw/zinc/34/32/88/688343288.db2.gz NHPUPVUVAQQEOH-HOCLYGCPSA-N 1 3 319.424 2.001 20 0 DEADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NCc2ccccc2F)C1 ZINC001019380813 688343295 /nfs/dbraw/zinc/34/32/95/688343295.db2.gz NHPUPVUVAQQEOH-HOCLYGCPSA-N 1 3 319.424 2.001 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC[C@H]([NH2+]Cc3ccsc3)C2)C1 ZINC001019386091 688343993 /nfs/dbraw/zinc/34/39/93/688343993.db2.gz BLDKKAQXORZBFO-HNNXBMFYSA-N 1 3 321.490 2.171 20 0 DEADHO CN(C)C1(C(=O)N2CCC(C[N@H+](C)CC3CCC3)CC2)CCC1 ZINC001029970122 688583899 /nfs/dbraw/zinc/58/38/99/688583899.db2.gz MHYFAQUWFBOUQC-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C)C1(C(=O)N2CCC(C[N@@H+](C)CC3CCC3)CC2)CCC1 ZINC001029970122 688583900 /nfs/dbraw/zinc/58/39/00/688583900.db2.gz MHYFAQUWFBOUQC-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO [NH3+][C@H]1CC[C@H](C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000870863819 688670910 /nfs/dbraw/zinc/67/09/10/688670910.db2.gz CQKWPYPXLKZLKI-SAABIXHNSA-N 1 3 315.461 2.069 20 0 DEADHO CC[NH+]1CCC(N[C@H](C)[C@H](O)c2cc(OC)ccc2OC)CC1 ZINC000872136158 688933671 /nfs/dbraw/zinc/93/36/71/688933671.db2.gz JWVAVVAPANEYES-ACJLOTCBSA-N 1 3 322.449 2.200 20 0 DEADHO CN(CCCCCC[NH3+])CC(=O)NCc1cc(F)cc(F)c1 ZINC000872155845 688940545 /nfs/dbraw/zinc/94/05/45/688940545.db2.gz YGRAENNTDCRXBQ-UHFFFAOYSA-N 1 3 313.392 2.032 20 0 DEADHO CN(C)[C@H](CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000872274633 688971618 /nfs/dbraw/zinc/97/16/18/688971618.db2.gz CJZJYCGJNGNFDB-KSZLIROESA-N 1 3 317.477 2.183 20 0 DEADHO CCC(CC)C[NH+]1CC(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001031666524 688976678 /nfs/dbraw/zinc/97/66/78/688976678.db2.gz PFSLTHHAWWXTBO-QGZVFWFLSA-N 1 3 309.498 2.343 20 0 DEADHO CC1CC(CN2C[C@@H]3C[C@H]2CN3C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001032557344 689185766 /nfs/dbraw/zinc/18/57/66/689185766.db2.gz GTGVRTKNPOAENY-GQGLESIBSA-N 1 3 319.493 2.192 20 0 DEADHO CC(C)(C)[C@]1(C[NH3+])CCN(Cc2ccccc2-n2cncn2)C1 ZINC000873223926 689187486 /nfs/dbraw/zinc/18/74/86/689187486.db2.gz UZDUPMWRBWIEAD-SFHVURJKSA-N 1 3 313.449 2.464 20 0 DEADHO N[C@@H]1C[C@@H]([NH2+]C[C@H]2CC3(CO2)CCOCC3)c2ccccc21 ZINC000873251027 689194215 /nfs/dbraw/zinc/19/42/15/689194215.db2.gz IAKDPLIKNOIBNV-KBRIMQKVSA-N 1 3 302.418 2.307 20 0 DEADHO C[C@@H]([NH2+][C@@H](c1nnc[n-]1)c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000873270592 689198829 /nfs/dbraw/zinc/19/88/29/689198829.db2.gz XXTYEUJKVORLRA-IAQYHMDHSA-N 1 3 303.385 2.011 20 0 DEADHO CCc1cccnc1[C@@H](C)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290563 689203411 /nfs/dbraw/zinc/20/34/11/689203411.db2.gz ACRSVJAAXJLHEL-ZBFHGGJFSA-N 1 3 303.450 2.453 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCC1 ZINC001032627021 689205330 /nfs/dbraw/zinc/20/53/30/689205330.db2.gz QKJWEJZBVVARKQ-NJAFHUGGSA-N 1 3 319.493 2.336 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCC1 ZINC001032627021 689205332 /nfs/dbraw/zinc/20/53/32/689205332.db2.gz QKJWEJZBVVARKQ-NJAFHUGGSA-N 1 3 319.493 2.336 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CC(C)(C)C2)C1 ZINC001032628336 689207041 /nfs/dbraw/zinc/20/70/41/689207041.db2.gz WLBFTSZPPDECFC-PVAVHDDUSA-N 1 3 319.493 2.050 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CC(C)(C)C2)C1 ZINC001032628336 689207044 /nfs/dbraw/zinc/20/70/44/689207044.db2.gz WLBFTSZPPDECFC-PVAVHDDUSA-N 1 3 319.493 2.050 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC1 ZINC001032664214 689217745 /nfs/dbraw/zinc/21/77/45/689217745.db2.gz WCVIWRUSHCXAGI-BZSNNMDCSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC1 ZINC001032664214 689217747 /nfs/dbraw/zinc/21/77/47/689217747.db2.gz WCVIWRUSHCXAGI-BZSNNMDCSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)N2CCCCCC2)C1 ZINC001033467351 689511375 /nfs/dbraw/zinc/51/13/75/689511375.db2.gz NJTSLUZVWTXUIA-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)N2CCCCCC2)C1 ZINC001033467351 689511379 /nfs/dbraw/zinc/51/13/79/689511379.db2.gz NJTSLUZVWTXUIA-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CN(C)Cc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC001033684986 689583896 /nfs/dbraw/zinc/58/38/96/689583896.db2.gz QWKUPEBDYCQUQP-GOSISDBHSA-N 1 3 315.461 2.305 20 0 DEADHO CN(C)Cc1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC001033684986 689583900 /nfs/dbraw/zinc/58/39/00/689583900.db2.gz QWKUPEBDYCQUQP-GOSISDBHSA-N 1 3 315.461 2.305 20 0 DEADHO CCN(C(=O)[C@@H]1CCCN1C(C)C)[C@H]1CC[N@H+](CCCF)C1 ZINC001033829146 689629105 /nfs/dbraw/zinc/62/91/05/689629105.db2.gz UAMQUHWMVBJPAP-HOTGVXAUSA-N 1 3 313.461 2.142 20 0 DEADHO CCN(C(=O)[C@@H]1CCCN1C(C)C)[C@H]1CC[N@@H+](CCCF)C1 ZINC001033829146 689629107 /nfs/dbraw/zinc/62/91/07/689629107.db2.gz UAMQUHWMVBJPAP-HOTGVXAUSA-N 1 3 313.461 2.142 20 0 DEADHO CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)[C@H]1CCN(CCCF)C1 ZINC001033829146 689629111 /nfs/dbraw/zinc/62/91/11/689629111.db2.gz UAMQUHWMVBJPAP-HOTGVXAUSA-N 1 3 313.461 2.142 20 0 DEADHO CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)[C@H]1CCN(CCCF)C1 ZINC001033829146 689629115 /nfs/dbraw/zinc/62/91/15/689629115.db2.gz UAMQUHWMVBJPAP-HOTGVXAUSA-N 1 3 313.461 2.142 20 0 DEADHO CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001034329247 689811079 /nfs/dbraw/zinc/81/10/79/689811079.db2.gz GGMIWDVAWJQHGD-IRXDYDNUSA-N 1 3 307.482 2.242 20 0 DEADHO CCC[N@H+]1CCCC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001034329247 689811083 /nfs/dbraw/zinc/81/10/83/689811083.db2.gz GGMIWDVAWJQHGD-IRXDYDNUSA-N 1 3 307.482 2.242 20 0 DEADHO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000876709394 689911390 /nfs/dbraw/zinc/91/13/90/689911390.db2.gz QPBMSLIXXKUSKY-UMVBOHGHSA-N 1 3 321.490 2.375 20 0 DEADHO C[NH2+]CCCC(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21 ZINC000877033406 690002598 /nfs/dbraw/zinc/00/25/98/690002598.db2.gz ZDWBMEMHNLEPHB-NVXWUHKLSA-N 1 3 301.434 2.129 20 0 DEADHO C[C@@H](NC1CC[NH+](CC(C)(C)O)CC1)[C@@H](O)c1ccc(F)cc1 ZINC000877034631 690003734 /nfs/dbraw/zinc/00/37/34/690003734.db2.gz LZVASQICEGRWBN-CXAGYDPISA-N 1 3 324.440 2.073 20 0 DEADHO CC1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CC2CCCC2)CC1 ZINC001035085311 690028565 /nfs/dbraw/zinc/02/85/65/690028565.db2.gz VQRPNXZSCOKBFF-GOSISDBHSA-N 1 3 321.509 2.489 20 0 DEADHO C[NH+]1CCC2(CCN(C(=O)C[C@@H](N)c3ccccc3)CC2)CC1 ZINC000877192342 690041754 /nfs/dbraw/zinc/04/17/54/690041754.db2.gz MNEGWGAHYISOOF-QGZVFWFLSA-N 1 3 315.461 2.411 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)C2)cc1 ZINC000877221745 690049294 /nfs/dbraw/zinc/04/92/94/690049294.db2.gz SFOAPUHIAUIRDR-KZNAEPCWSA-N 1 3 315.461 2.203 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC2(CC[N@H+](CC3CC3)C2)CC1 ZINC001035225806 690065608 /nfs/dbraw/zinc/06/56/08/690065608.db2.gz AMKIQVZCLMPSCG-INIZCTEOSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC2(CC[N@@H+](CC3CC3)C2)CC1 ZINC001035225806 690065612 /nfs/dbraw/zinc/06/56/12/690065612.db2.gz AMKIQVZCLMPSCG-INIZCTEOSA-N 1 3 319.493 2.195 20 0 DEADHO CCCC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@H](C)C1)CC2 ZINC001035226664 690065984 /nfs/dbraw/zinc/06/59/84/690065984.db2.gz JIVHUPLMGIZBPG-KRWDZBQOSA-N 1 3 321.509 2.443 20 0 DEADHO CCCC[N@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@H](C)C1)CC2 ZINC001035226664 690065988 /nfs/dbraw/zinc/06/59/88/690065988.db2.gz JIVHUPLMGIZBPG-KRWDZBQOSA-N 1 3 321.509 2.443 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000877447777 690115858 /nfs/dbraw/zinc/11/58/58/690115858.db2.gz BDWZVEXKDNRJMJ-NVXWUHKLSA-N 1 3 309.498 2.473 20 0 DEADHO CC(C)(O)C[NH+]1CCC(NC[C@]2(C)CC2(Cl)Cl)CC1 ZINC000877564854 690153522 /nfs/dbraw/zinc/15/35/22/690153522.db2.gz NEFHOBSITBJZGW-ZDUSSCGKSA-N 1 3 309.281 2.395 20 0 DEADHO CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001035719601 690160009 /nfs/dbraw/zinc/16/00/09/690160009.db2.gz DCSWPIFMJFFMLM-INIZCTEOSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)CC[NH+]1CC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001035720871 690160910 /nfs/dbraw/zinc/16/09/10/690160910.db2.gz NVUKNNKHTVGSSB-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2 ZINC001035786865 690176084 /nfs/dbraw/zinc/17/60/84/690176084.db2.gz GBNFOABOMBCYLD-MRXNPFEDSA-N 1 3 309.498 2.153 20 0 DEADHO C[NH+]1CCC2(CCN(CCNC(=O)OC(C)(C)C)CC2)CC1 ZINC000877684500 690190507 /nfs/dbraw/zinc/19/05/07/690190507.db2.gz PGMWUUBOWZFWKX-UHFFFAOYSA-N 1 3 311.470 2.319 20 0 DEADHO C[NH+]1CCC2(CCN(Cc3cc(C(N)=O)cs3)CC2)CC1 ZINC000877684678 690190529 /nfs/dbraw/zinc/19/05/29/690190529.db2.gz SVLBJOALRURESY-UHFFFAOYSA-N 1 3 307.463 2.155 20 0 DEADHO CC(C)[NH2+][C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001036028610 690239569 /nfs/dbraw/zinc/23/95/69/690239569.db2.gz KHRYQUCXLUFSAI-HZPDHXFCSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001036181800 690283811 /nfs/dbraw/zinc/28/38/11/690283811.db2.gz JKWZLWCUNKLQAM-HZPDHXFCSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[NH+]1CCC(N(C)C[C@H](O)CC2(CO)CCCC2)CC1 ZINC000878034084 690289460 /nfs/dbraw/zinc/28/94/60/690289460.db2.gz IRJPBBWEWYAHDO-QGZVFWFLSA-N 1 3 312.498 2.095 20 0 DEADHO CN1CCCC[C@@H]1CC[N@H+](C)C[C@@H](O)CC1(CO)CCCC1 ZINC000878136419 690321915 /nfs/dbraw/zinc/32/19/15/690321915.db2.gz YCXVBHAHWYFKQQ-SJORKVTESA-N 1 3 312.498 2.096 20 0 DEADHO CN1CCCC[C@@H]1CC[N@@H+](C)C[C@@H](O)CC1(CO)CCCC1 ZINC000878136419 690321919 /nfs/dbraw/zinc/32/19/19/690321919.db2.gz YCXVBHAHWYFKQQ-SJORKVTESA-N 1 3 312.498 2.096 20 0 DEADHO C[NH+]1CCC(NC(=O)CN(Cc2ccccc2)C(C)(C)C)CC1 ZINC000878193173 690341479 /nfs/dbraw/zinc/34/14/79/690341479.db2.gz UITFLUATIJMSAT-UHFFFAOYSA-N 1 3 317.477 2.498 20 0 DEADHO CC(C)[NH2+][C@H](C)[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001036453078 690353711 /nfs/dbraw/zinc/35/37/11/690353711.db2.gz UZIHJYRPRNSDLJ-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@H]2CN(C(=O)CN(C)C3CCC3)CC[C@@H]21 ZINC001036736626 690453092 /nfs/dbraw/zinc/45/30/92/690453092.db2.gz CNYIMELZSYOSMH-WMZOPIPTSA-N 1 3 319.493 2.360 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)C3CCC3)CC[C@@H]21 ZINC001036736626 690453094 /nfs/dbraw/zinc/45/30/94/690453094.db2.gz CNYIMELZSYOSMH-WMZOPIPTSA-N 1 3 319.493 2.360 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)C3CCC3)CC[C@H]21 ZINC001036736808 690453482 /nfs/dbraw/zinc/45/34/82/690453482.db2.gz GYWFUUFWJOLQGE-FUHWJXTLSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H]2CN(C(=O)CN(C)C3CCC3)CC[C@H]21 ZINC001036736808 690453485 /nfs/dbraw/zinc/45/34/85/690453485.db2.gz GYWFUUFWJOLQGE-FUHWJXTLSA-N 1 3 321.509 2.440 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CC3CC3)C2)CC1 ZINC001036854292 690500366 /nfs/dbraw/zinc/50/03/66/690500366.db2.gz IVXOKRVGTGRMDF-QZTJIDSGSA-N 1 3 319.493 2.051 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CC3CC3)C2)CC1 ZINC001036854292 690500369 /nfs/dbraw/zinc/50/03/69/690500369.db2.gz IVXOKRVGTGRMDF-QZTJIDSGSA-N 1 3 319.493 2.051 20 0 DEADHO C[NH+]1CCC(NC(=O)CN2CCC[C@H](C3CCCCC3)C2)CC1 ZINC000878997059 690545291 /nfs/dbraw/zinc/54/52/91/690545291.db2.gz VKJGNYZHMRGDBF-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CC1CCN(C(=O)CN2CCC3(CC2)CC[NH+](C)CC3)CC1 ZINC000879248594 690602743 /nfs/dbraw/zinc/60/27/43/690602743.db2.gz QFWJCRYFTHEJNY-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO CC(C)CN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038249709 690757867 /nfs/dbraw/zinc/75/78/67/690757867.db2.gz WEOCSOXARVIMNM-SJLPKXTDSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038249709 690757870 /nfs/dbraw/zinc/75/78/70/690757870.db2.gz WEOCSOXARVIMNM-SJLPKXTDSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CN1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038249711 690757915 /nfs/dbraw/zinc/75/79/15/690757915.db2.gz WEOCSOXARVIMNM-WMZOPIPTSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CN1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038249711 690757916 /nfs/dbraw/zinc/75/79/16/690757916.db2.gz WEOCSOXARVIMNM-WMZOPIPTSA-N 1 3 321.509 2.488 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2CCC2CCCCC2)C1 ZINC001039027669 690996732 /nfs/dbraw/zinc/99/67/32/690996732.db2.gz KJEPJOCVIGVXEL-IRXDYDNUSA-N 1 3 307.482 2.099 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2CCC2CCCCC2)C1 ZINC001039027669 690996736 /nfs/dbraw/zinc/99/67/36/690996736.db2.gz KJEPJOCVIGVXEL-IRXDYDNUSA-N 1 3 307.482 2.099 20 0 DEADHO CCCCN1CC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001039041206 691001410 /nfs/dbraw/zinc/00/14/10/691001410.db2.gz ZUWBNZIQKWMJQN-QGZVFWFLSA-N 1 3 303.450 2.352 20 0 DEADHO CC[N@@H+]1CC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001039137697 691030615 /nfs/dbraw/zinc/03/06/15/691030615.db2.gz PXSWQVHEPILSEI-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1CC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001039137697 691030617 /nfs/dbraw/zinc/03/06/17/691030617.db2.gz PXSWQVHEPILSEI-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCC[C@@H]1C ZINC001039298200 691076652 /nfs/dbraw/zinc/07/66/52/691076652.db2.gz OSSNTEWMJJAMQK-XYTVBORESA-N 1 3 307.482 2.382 20 0 DEADHO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCCN1CC ZINC001039313802 691079131 /nfs/dbraw/zinc/07/91/31/691079131.db2.gz QAVNRJGVPZLPKI-NPYXIHBLSA-N 1 3 307.482 2.382 20 0 DEADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CC2)CC[N@@H+]1C ZINC001039594903 691133695 /nfs/dbraw/zinc/13/36/95/691133695.db2.gz FDSCPAHIWZHXOJ-NRSFXHEJSA-N 1 3 319.493 2.192 20 0 DEADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CC2)CC[N@H+]1C ZINC001039594903 691133698 /nfs/dbraw/zinc/13/36/98/691133698.db2.gz FDSCPAHIWZHXOJ-NRSFXHEJSA-N 1 3 319.493 2.192 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC001040395020 691242355 /nfs/dbraw/zinc/24/23/55/691242355.db2.gz NQSLODVDOFCMGE-QFBILLFUSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC001040395020 691242358 /nfs/dbraw/zinc/24/23/58/691242358.db2.gz NQSLODVDOFCMGE-QFBILLFUSA-N 1 3 319.493 2.195 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2)N(C)C ZINC001040398393 691242493 /nfs/dbraw/zinc/24/24/93/691242493.db2.gz HMNKEBWAAZMZCI-FUHWJXTLSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CC1)C2)N(C)C ZINC001040398393 691242497 /nfs/dbraw/zinc/24/24/97/691242497.db2.gz HMNKEBWAAZMZCI-FUHWJXTLSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001040397149 691242771 /nfs/dbraw/zinc/24/27/71/691242771.db2.gz YBSFSGADRHMHFH-WMZOPIPTSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001040397149 691242772 /nfs/dbraw/zinc/24/27/72/691242772.db2.gz YBSFSGADRHMHFH-WMZOPIPTSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)CC1 ZINC001040738334 691283930 /nfs/dbraw/zinc/28/39/30/691283930.db2.gz KXTJUGQQFNUUMD-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CCN1CC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000882486485 691293358 /nfs/dbraw/zinc/29/33/58/691293358.db2.gz RXHFYYVLYZMAEO-IRXDYDNUSA-N 1 3 303.450 2.280 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC2(C1)CC[NH+](CC1CCC1)CC2 ZINC001040869417 691293936 /nfs/dbraw/zinc/29/39/36/691293936.db2.gz HVKCXESBKHGVGQ-UHFFFAOYSA-N 1 3 316.449 2.067 20 0 DEADHO CC[C@H](C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041356470 691366983 /nfs/dbraw/zinc/36/69/83/691366983.db2.gz YEHITWLWKSOOCF-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C)C[N@H+]1CC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041356470 691366985 /nfs/dbraw/zinc/36/69/85/691366985.db2.gz YEHITWLWKSOOCF-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001041679824 691409623 /nfs/dbraw/zinc/40/96/23/691409623.db2.gz OKRYEBXIOZPYDC-FUHWJXTLSA-N 1 3 307.482 2.053 20 0 DEADHO CCCC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001041679824 691409626 /nfs/dbraw/zinc/40/96/26/691409626.db2.gz OKRYEBXIOZPYDC-FUHWJXTLSA-N 1 3 307.482 2.053 20 0 DEADHO CCCC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001041679823 691409698 /nfs/dbraw/zinc/40/96/98/691409698.db2.gz OKRYEBXIOZPYDC-AEFFLSMTSA-N 1 3 307.482 2.053 20 0 DEADHO CCCC[N@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001041679823 691409699 /nfs/dbraw/zinc/40/96/99/691409699.db2.gz OKRYEBXIOZPYDC-AEFFLSMTSA-N 1 3 307.482 2.053 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CC=C(C)C)C2)C1)N(C)C ZINC001041684195 691410068 /nfs/dbraw/zinc/41/00/68/691410068.db2.gz BJHLKGCYWVBZSE-WMZOPIPTSA-N 1 3 307.482 2.217 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CC=C(C)C)C2)C1)N(C)C ZINC001041684195 691410071 /nfs/dbraw/zinc/41/00/71/691410071.db2.gz BJHLKGCYWVBZSE-WMZOPIPTSA-N 1 3 307.482 2.217 20 0 DEADHO CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001041844676 691444501 /nfs/dbraw/zinc/44/45/01/691444501.db2.gz CPOZGKSZXAIWNK-WMZOPIPTSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001041844676 691444504 /nfs/dbraw/zinc/44/45/04/691444504.db2.gz CPOZGKSZXAIWNK-WMZOPIPTSA-N 1 3 307.482 2.195 20 0 DEADHO COC[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)[C@@H]1CCCOC1 ZINC000883237690 691463356 /nfs/dbraw/zinc/46/33/56/691463356.db2.gz IEXQIYDOYPIHDR-KURKYZTESA-N 1 3 310.482 2.140 20 0 DEADHO COC[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)[C@H]1CCCOC1 ZINC000883237688 691463579 /nfs/dbraw/zinc/46/35/79/691463579.db2.gz IEXQIYDOYPIHDR-BZSNNMDCSA-N 1 3 310.482 2.140 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@H]21 ZINC001042313624 691567015 /nfs/dbraw/zinc/56/70/15/691567015.db2.gz JNJDHKABDCMMGW-LSDHHAIUSA-N 1 3 318.465 2.266 20 0 DEADHO CC(C)C[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@H]21 ZINC001042313624 691567017 /nfs/dbraw/zinc/56/70/17/691567017.db2.gz JNJDHKABDCMMGW-LSDHHAIUSA-N 1 3 318.465 2.266 20 0 DEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H](N)CC2CC2)CC1 ZINC000884185725 691677121 /nfs/dbraw/zinc/67/71/21/691677121.db2.gz FMKYMHVIDNCDLP-SFHVURJKSA-N 1 3 315.461 2.203 20 0 DEADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H](N)CC2CC2)CC1 ZINC000884213497 691684458 /nfs/dbraw/zinc/68/44/58/691684458.db2.gz DAFAGTRMZHRCGM-KDOFPFPSSA-N 1 3 315.461 2.456 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CC2=CCCCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044749694 691881833 /nfs/dbraw/zinc/88/18/33/691881833.db2.gz KQLNKDOLHPCPAA-GOEBONIOSA-N 1 3 316.449 2.422 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CN1CCCC1 ZINC001044857179 691898377 /nfs/dbraw/zinc/89/83/77/691898377.db2.gz FTCZBQQGFLPCMK-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2CCOC3(CCOCC3)C2)C1 ZINC000885968950 691973937 /nfs/dbraw/zinc/97/39/37/691973937.db2.gz FVDYMNCXZCQMCW-IRXDYDNUSA-N 1 3 310.482 2.425 20 0 DEADHO CN1CC[NH+](C2CCN(CCOC3CCCCC3)CC2)CC1 ZINC000886310312 692052025 /nfs/dbraw/zinc/05/20/25/692052025.db2.gz JAXNFEAMEKLHQC-UHFFFAOYSA-N 1 3 309.498 2.048 20 0 DEADHO COC(=O)c1cncc([C@@H](C)[NH2+]C2CCN(C(C)C)CC2)c1 ZINC000886543542 692105394 /nfs/dbraw/zinc/10/53/94/692105394.db2.gz QIRMEBWLJUFZRC-CYBMUJFWSA-N 1 3 305.422 2.392 20 0 DEADHO C([C@H]1CCC2(CCOCC2)CO1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886876182 692218741 /nfs/dbraw/zinc/21/87/41/692218741.db2.gz TUMSWBCWILVONB-IEBWSBKVSA-N 1 3 322.493 2.428 20 0 DEADHO C[NH+](C)CCc1ccccc1NC(=O)NCc1cc(N)ccn1 ZINC000886946355 692237188 /nfs/dbraw/zinc/23/71/88/692237188.db2.gz JSBCTRLPWYXLRT-UHFFFAOYSA-N 1 3 313.405 2.090 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@]2(C)CC[N@H+](CC3CC3)C2)c1 ZINC001046853538 692317650 /nfs/dbraw/zinc/31/76/50/692317650.db2.gz ZPHACLGMKLTAKG-IBGZPJMESA-N 1 3 315.461 2.352 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@]2(C)CC[N@@H+](CC3CC3)C2)c1 ZINC001046853538 692317655 /nfs/dbraw/zinc/31/76/55/692317655.db2.gz ZPHACLGMKLTAKG-IBGZPJMESA-N 1 3 315.461 2.352 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC(C)C)C2 ZINC001047189814 692389332 /nfs/dbraw/zinc/38/93/32/692389332.db2.gz DHHXBQMCGWPRHA-JYJNAYRXSA-N 1 3 318.465 2.276 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC(C)C)C2 ZINC001047189814 692389336 /nfs/dbraw/zinc/38/93/36/692389336.db2.gz DHHXBQMCGWPRHA-JYJNAYRXSA-N 1 3 318.465 2.276 20 0 DEADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001048397900 692611592 /nfs/dbraw/zinc/61/15/92/692611592.db2.gz NFYBAHFHZKGDIO-HOCLYGCPSA-N 1 3 316.449 2.137 20 0 DEADHO CC[C@@H](C)C[N@H+]1C[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C1 ZINC001049132397 692770832 /nfs/dbraw/zinc/77/08/32/692770832.db2.gz PSZRMEFSKCUSMP-NXHRZFHOSA-N 1 3 321.509 2.155 20 0 DEADHO CC[C@@H](C)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C1 ZINC001049132397 692770835 /nfs/dbraw/zinc/77/08/35/692770835.db2.gz PSZRMEFSKCUSMP-NXHRZFHOSA-N 1 3 321.509 2.155 20 0 DEADHO CCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@H]2C1 ZINC001049233038 692795570 /nfs/dbraw/zinc/79/55/70/692795570.db2.gz IUEVXUWPSGQWSW-BBWFWOEESA-N 1 3 307.482 2.051 20 0 DEADHO CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@H]2C1 ZINC001049233038 692795574 /nfs/dbraw/zinc/79/55/74/692795574.db2.gz IUEVXUWPSGQWSW-BBWFWOEESA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CC1 ZINC001049463787 692890152 /nfs/dbraw/zinc/89/01/52/692890152.db2.gz JHMJKAXRNUJHAV-RCCFBDPRSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CC1 ZINC001049463787 692890156 /nfs/dbraw/zinc/89/01/56/692890156.db2.gz JHMJKAXRNUJHAV-RCCFBDPRSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CC1)c1c[nH]cn1 ZINC001049848715 693021437 /nfs/dbraw/zinc/02/14/37/693021437.db2.gz LHQREKUXVRBSJG-CABCVRRESA-N 1 3 316.449 2.163 20 0 DEADHO CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CC1)c1c[nH]cn1 ZINC001049848715 693021441 /nfs/dbraw/zinc/02/14/41/693021441.db2.gz LHQREKUXVRBSJG-CABCVRRESA-N 1 3 316.449 2.163 20 0 DEADHO CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(CN(C)C)c1 ZINC001049913051 693046313 /nfs/dbraw/zinc/04/63/13/693046313.db2.gz SWYJZHBNAVCHTB-ROUUACIJSA-N 1 3 315.461 2.447 20 0 DEADHO CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(CN(C)C)c1 ZINC001049913051 693046316 /nfs/dbraw/zinc/04/63/16/693046316.db2.gz SWYJZHBNAVCHTB-ROUUACIJSA-N 1 3 315.461 2.447 20 0 DEADHO CCN(C)C[C@@H](O)C[N@@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932190601 694570875 /nfs/dbraw/zinc/57/08/75/694570875.db2.gz OOBAUGYUSUMWGO-UONOGXRCSA-N 1 3 323.506 2.124 20 0 DEADHO CCN(C)C[C@@H](O)C[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932190601 694570878 /nfs/dbraw/zinc/57/08/78/694570878.db2.gz OOBAUGYUSUMWGO-UONOGXRCSA-N 1 3 323.506 2.124 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@H]2C[N@@H+](C(C)C)C[C@H]21 ZINC001050046482 693091126 /nfs/dbraw/zinc/09/11/26/693091126.db2.gz GUCDOOQADKRMGJ-GVDBMIGSSA-N 1 3 307.482 2.190 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@H]2C[N@H+](C(C)C)C[C@H]21 ZINC001050046482 693091129 /nfs/dbraw/zinc/09/11/29/693091129.db2.gz GUCDOOQADKRMGJ-GVDBMIGSSA-N 1 3 307.482 2.190 20 0 DEADHO C[C@H](C[NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1)CN1CCCC1 ZINC000924714097 693175694 /nfs/dbraw/zinc/17/56/94/693175694.db2.gz HVYFAKQDAFARLU-NJAFHUGGSA-N 1 3 304.482 2.453 20 0 DEADHO C[C@@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)C1(Cl)CC1 ZINC000924921913 693202354 /nfs/dbraw/zinc/20/23/54/693202354.db2.gz ZCXLXGGVJWGRKW-CYBMUJFWSA-N 1 3 323.868 2.228 20 0 DEADHO CC[C@H](C)C[NH+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC1 ZINC001050543406 693203885 /nfs/dbraw/zinc/20/38/85/693203885.db2.gz JNFGPXVCZFGJPS-DOTOQJQBSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CC[NH+](CC1CCC1)CC2)N(C)C ZINC001050562676 693207784 /nfs/dbraw/zinc/20/77/84/693207784.db2.gz FNBZJFSVZFKNLJ-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO Cc1noc(C)c1[C@H](C)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000925038501 693216704 /nfs/dbraw/zinc/21/67/04/693216704.db2.gz FJZFYSYQJJZUBA-WFASDCNBSA-N 1 3 306.454 2.111 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C1)CC[NH+](CC=C(C)C)CC2)N(C)C ZINC001050667518 693228270 /nfs/dbraw/zinc/22/82/70/693228270.db2.gz AMZOWSFNSHNZGT-INIZCTEOSA-N 1 3 307.482 2.217 20 0 DEADHO C[C@H](C[C@H]1CCC(=O)N1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000925204808 693241462 /nfs/dbraw/zinc/24/14/62/693241462.db2.gz GYAPVDFQVOHCAA-GDBMZVCRSA-N 1 3 307.482 2.430 20 0 DEADHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@H]2CCN(C)[C@@H]2C)CC1 ZINC000925319143 693256400 /nfs/dbraw/zinc/25/64/00/693256400.db2.gz IJWQZWAKTBIRHA-WBVHZDCISA-N 1 3 324.513 2.233 20 0 DEADHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H]2CCN(C)[C@@H]2C)CC1 ZINC000925319143 693256403 /nfs/dbraw/zinc/25/64/03/693256403.db2.gz IJWQZWAKTBIRHA-WBVHZDCISA-N 1 3 324.513 2.233 20 0 DEADHO COc1cccc(N2CC[C@H](N[C@@H]3C[C@@H]([NH3+])C34CCC4)C2)c1 ZINC000925477030 693278844 /nfs/dbraw/zinc/27/88/44/693278844.db2.gz KTFXHRVDHWEHQV-IAOVAPTHSA-N 1 3 301.434 2.133 20 0 DEADHO COc1cccc(N2CC[C@H](N[C@H]3C[C@@H]([NH3+])C34CCC4)C2)c1 ZINC000925477035 693279022 /nfs/dbraw/zinc/27/90/22/693279022.db2.gz KTFXHRVDHWEHQV-XKQJLSEDSA-N 1 3 301.434 2.133 20 0 DEADHO CC(C)[C@H](CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)N1CCOCC1 ZINC000925519502 693287457 /nfs/dbraw/zinc/28/74/57/693287457.db2.gz RZFOHOJNXSIMQO-QYZOEREBSA-N 1 3 323.525 2.101 20 0 DEADHO CC(C)[C@H](C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1)N1CCOCC1 ZINC000925519502 693287459 /nfs/dbraw/zinc/28/74/59/693287459.db2.gz RZFOHOJNXSIMQO-QYZOEREBSA-N 1 3 323.525 2.101 20 0 DEADHO C[C@H]1NCCC[C@@H]1[NH2+]CCNc1ccc(-c2ccccc2)nn1 ZINC000925551797 693295637 /nfs/dbraw/zinc/29/56/37/693295637.db2.gz SLHDKDAIMCDFGK-ZBFHGGJFSA-N 1 3 311.433 2.286 20 0 DEADHO c1ccc([C@@H]2C[C@H](NCCOC3CCOCC3)CC[NH2+]2)cc1 ZINC000925878073 693358904 /nfs/dbraw/zinc/35/89/04/693358904.db2.gz QOZDHJZPYPHVHO-AEFFLSMTSA-N 1 3 304.434 2.265 20 0 DEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCC2(CCOCC2)CO1 ZINC000925774960 693339430 /nfs/dbraw/zinc/33/94/30/693339430.db2.gz YUPULXMJJBEBRB-YESZJQIVSA-N 1 3 310.482 2.459 20 0 DEADHO C[C@@H](N[C@@H](C)C(=O)N1CCCC1)c1cccc(C[NH+](C)C)c1 ZINC000926352299 693435570 /nfs/dbraw/zinc/43/55/70/693435570.db2.gz VWZPDURIMLQEEH-CABCVRRESA-N 1 3 303.450 2.410 20 0 DEADHO CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053029404 693673863 /nfs/dbraw/zinc/67/38/63/693673863.db2.gz RDODLLBXUNUAHO-SJORKVTESA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053029404 693673865 /nfs/dbraw/zinc/67/38/65/693673865.db2.gz RDODLLBXUNUAHO-SJORKVTESA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@H+](CC2CC2)C1 ZINC001402214246 1162292100 /nfs/dbraw/zinc/29/21/00/1162292100.db2.gz RNBXEMHMRARLIT-HKUYNNGSSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@@H+](CC2CC2)C1 ZINC001402214246 1162292106 /nfs/dbraw/zinc/29/21/06/1162292106.db2.gz RNBXEMHMRARLIT-HKUYNNGSSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1(N(C)C)CCC1)C2 ZINC001402421526 1162350660 /nfs/dbraw/zinc/35/06/60/1162350660.db2.gz FODJNUPCYUPOPO-MUJYYYPQSA-N 1 3 307.482 2.238 20 0 DEADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1(N(C)C)CCC1)C2 ZINC001402421526 1162350662 /nfs/dbraw/zinc/35/06/62/1162350662.db2.gz FODJNUPCYUPOPO-MUJYYYPQSA-N 1 3 307.482 2.238 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]C[C@@H](O)c2ccccc2F)C[C@@H](C)O1 ZINC001335941237 1150565453 /nfs/dbraw/zinc/56/54/53/1150565453.db2.gz JNSCBQXPMRAFAZ-IIDMSEBBSA-N 1 3 324.440 2.338 20 0 DEADHO Cc1cc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)cc(C)n1 ZINC001414101699 1151755087 /nfs/dbraw/zinc/75/50/87/1151755087.db2.gz YIINJQDVEXFERU-ZWKOTPCHSA-N 1 3 303.450 2.166 20 0 DEADHO CN1CCC[C@@H]1C(=O)NCCC1CC[NH+](C/C=C\Cl)CC1 ZINC001378472210 1152341839 /nfs/dbraw/zinc/34/18/39/1152341839.db2.gz PPXZCDKKFOURJW-JBGNVSFKSA-N 1 3 313.873 2.051 20 0 DEADHO C[C@H](NC(=O)CN(C)C1CCC1)C1C[NH+](CC2CCCCC2)C1 ZINC001378525008 1152361651 /nfs/dbraw/zinc/36/16/51/1152361651.db2.gz BJNBKORCHCZKJN-HNNXBMFYSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN(C)CC(=O)NC1CCC([NH2+]Cc2cncs2)CC1 ZINC001402829038 1162486711 /nfs/dbraw/zinc/48/67/11/1162486711.db2.gz PTDMSVHGPIJWCQ-UHFFFAOYSA-N 1 3 324.494 2.002 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]C/C=C\Cl ZINC001402841118 1162492732 /nfs/dbraw/zinc/49/27/32/1162492732.db2.gz CUQRAPLJJGJLQE-XDHNQJSPSA-N 1 3 315.889 2.486 20 0 DEADHO CC(C)C[N@H+](C)C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001379788673 1152696392 /nfs/dbraw/zinc/69/63/92/1152696392.db2.gz IFBRYXSZLBTUAF-OAHLLOKOSA-N 1 3 305.466 2.454 20 0 DEADHO CC(C)C[N@@H+](C)C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001379788673 1152696393 /nfs/dbraw/zinc/69/63/93/1152696393.db2.gz IFBRYXSZLBTUAF-OAHLLOKOSA-N 1 3 305.466 2.454 20 0 DEADHO CCCN(C)CC(=O)N1CCC2(CC1)CC[NH+](CC1CC1)CC2 ZINC001402866960 1162505752 /nfs/dbraw/zinc/50/57/52/1162505752.db2.gz PVZSCKXCJBLRJW-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCCC1 ZINC001362185935 1152844720 /nfs/dbraw/zinc/84/47/20/1152844720.db2.gz FLJCBYJPXWSRKA-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCCC1 ZINC001362185935 1152844722 /nfs/dbraw/zinc/84/47/22/1152844722.db2.gz FLJCBYJPXWSRKA-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CCC1([NH2+]CC[C@H](C)F)CCN(C(=O)CN2CCCC2)CC1 ZINC001381024548 1152894574 /nfs/dbraw/zinc/89/45/74/1152894574.db2.gz ZCRRBNRWPXBBQC-HNNXBMFYSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCc2cccs2)[C@@H](C)C1 ZINC001381105819 1152910095 /nfs/dbraw/zinc/91/00/95/1152910095.db2.gz FMJUOSVZMCXMHW-HOCLYGCPSA-N 1 3 323.506 2.067 20 0 DEADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CC=C(Cl)Cl ZINC001381194353 1152946011 /nfs/dbraw/zinc/94/60/11/1152946011.db2.gz XUIHHZGXLQZXQM-NSHDSACASA-N 1 3 322.280 2.274 20 0 DEADHO Cc1ccc(F)c(CN[C@H](C)[C@@H](C)NC(=O)CCC[NH+](C)C)c1 ZINC001381422434 1153052714 /nfs/dbraw/zinc/05/27/14/1153052714.db2.gz VJGIPUVIANFVHF-HUUCEWRRSA-N 1 3 323.456 2.459 20 0 DEADHO C[NH+](C)CCc1cccc(C(=O)N[C@]2(C)CN3CCC2CC3)c1 ZINC001362930129 1153146642 /nfs/dbraw/zinc/14/66/42/1153146642.db2.gz AZAMDWJGRJYPRB-LJQANCHMSA-N 1 3 315.461 2.005 20 0 DEADHO Cc1cccc(CN2CC([C@@H](C)NC(=O)CCC[NH+](C)C)C2)c1 ZINC001381805746 1153230988 /nfs/dbraw/zinc/23/09/88/1153230988.db2.gz PFNOZNIMFSNPSR-MRXNPFEDSA-N 1 3 317.477 2.273 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H](C)C1CN(Cc2cccc(C)c2)C1 ZINC001381820505 1153238031 /nfs/dbraw/zinc/23/80/31/1153238031.db2.gz ZZELNNKUVPOQIC-MRXNPFEDSA-N 1 3 317.477 2.273 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H](C)C1CN(Cc2cccc(C)c2)C1 ZINC001381820505 1153238036 /nfs/dbraw/zinc/23/80/36/1153238036.db2.gz ZZELNNKUVPOQIC-MRXNPFEDSA-N 1 3 317.477 2.273 20 0 DEADHO CC(C)CC[N@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001381979067 1153301979 /nfs/dbraw/zinc/30/19/79/1153301979.db2.gz HPXCYSNSRVGHLQ-UHFFFAOYSA-N 1 3 309.498 2.440 20 0 DEADHO CN(CC(=O)N(C)[C@H](C[NH2+]CC1CCCC1)C1CC1)C1CCC1 ZINC001382016741 1153319087 /nfs/dbraw/zinc/31/90/87/1153319087.db2.gz HFTYNMADRBGOHM-GOSISDBHSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)[C@H]1C ZINC001382299334 1153416354 /nfs/dbraw/zinc/41/63/54/1153416354.db2.gz AARZGNKETVSWIM-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccc(C)c(F)c1 ZINC001363792965 1153631787 /nfs/dbraw/zinc/63/17/87/1153631787.db2.gz SOTWQCKYAZIXST-KRWDZBQOSA-N 1 3 321.440 2.385 20 0 DEADHO COCc1cccc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC001363864949 1153678683 /nfs/dbraw/zinc/67/86/83/1153678683.db2.gz AQBXEFOZLJXFPW-SFHVURJKSA-N 1 3 318.461 2.424 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccc(Cl)cc1 ZINC001403006461 1162619314 /nfs/dbraw/zinc/61/93/14/1162619314.db2.gz PAEZVTUJOZIBEF-KBPBESRZSA-N 1 3 323.868 2.276 20 0 DEADHO Cc1ccccc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001403028894 1162639397 /nfs/dbraw/zinc/63/93/97/1162639397.db2.gz STZBVZFWPLXOKK-HZPDHXFCSA-N 1 3 317.477 2.462 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCC3)C2)C1 ZINC001388757949 1155081985 /nfs/dbraw/zinc/08/19/85/1155081985.db2.gz WVAQHALHPRXUIJ-HYVNUMGLSA-N 1 3 307.482 2.003 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccc(F)cc1)C1CC1)N(C)C ZINC001389690006 1155396402 /nfs/dbraw/zinc/39/64/02/1155396402.db2.gz KUUJEYIFCYMJNQ-IRXDYDNUSA-N 1 3 321.440 2.150 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCc2ccc(C)cc2)C1)N(C)C ZINC001389896008 1155464950 /nfs/dbraw/zinc/46/49/50/1155464950.db2.gz HPRJGALEZZPMCC-KZNAEPCWSA-N 1 3 317.477 2.115 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]2C[N@H+](CC3CCC3)CC[C@@H]21 ZINC001389961608 1155483846 /nfs/dbraw/zinc/48/38/46/1155483846.db2.gz TYRNXORLFMEVRJ-ROUUACIJSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]2C[N@@H+](CC3CCC3)CC[C@@H]21 ZINC001389961608 1155483854 /nfs/dbraw/zinc/48/38/54/1155483854.db2.gz TYRNXORLFMEVRJ-ROUUACIJSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1)N(C)C ZINC001389987947 1155491397 /nfs/dbraw/zinc/49/13/97/1155491397.db2.gz WOILTGWDNSFLLK-MXASKKJJSA-N 1 3 303.450 2.325 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H](NCC=C(Cl)Cl)C1)[NH+](C)C ZINC001390010167 1155498456 /nfs/dbraw/zinc/49/84/56/1155498456.db2.gz MTDUZFOFWZSZJI-NTZNESFSSA-N 1 3 322.280 2.128 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+]CC2CC(C)C2)C1 ZINC001390114915 1155531858 /nfs/dbraw/zinc/53/18/58/1155531858.db2.gz ROOCSBWFPZEQMU-CGZBRXJRSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccccc1 ZINC001390659420 1155830071 /nfs/dbraw/zinc/83/00/71/1155830071.db2.gz FPIHWPCASJUXMG-HNNXBMFYSA-N 1 3 303.450 2.155 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H](C)CCNC(=O)CN(C)C(C)C ZINC001371886712 1156053811 /nfs/dbraw/zinc/05/38/11/1156053811.db2.gz IXBWPTDKBSSSDZ-INIZCTEOSA-N 1 3 305.466 2.320 20 0 DEADHO CCC[N@H+](CCNC(=O)[C@@H]1CCCCN1CC)CC1CCC1 ZINC001391144452 1156173942 /nfs/dbraw/zinc/17/39/42/1156173942.db2.gz LLNRPSRHHXNZSC-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](CC1CC2(CCC2)C1)C1CC1)N(C)C ZINC001391176497 1156218857 /nfs/dbraw/zinc/21/88/57/1156218857.db2.gz USXHEGWXCZODSL-QGZVFWFLSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](CC1CC2(CCC2)C1)C1CC1)N(C)C ZINC001391176497 1156218863 /nfs/dbraw/zinc/21/88/63/1156218863.db2.gz USXHEGWXCZODSL-QGZVFWFLSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)C[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001391554043 1156531214 /nfs/dbraw/zinc/53/12/14/1156531214.db2.gz SXESYCJZNGJLAP-IKGGRYGDSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)C[C@@H](C)C[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001391554043 1156531224 /nfs/dbraw/zinc/53/12/24/1156531224.db2.gz SXESYCJZNGJLAP-IKGGRYGDSA-N 1 3 311.514 2.445 20 0 DEADHO CC[C@@H](F)CN1CC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001372685010 1156683252 /nfs/dbraw/zinc/68/32/52/1156683252.db2.gz VAXAMUCFANMNAS-HZPDHXFCSA-N 1 3 313.461 2.049 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[N@H+](C)CCC1CCCC1 ZINC001403166520 1162803017 /nfs/dbraw/zinc/80/30/17/1162803017.db2.gz DHPAGECGKCPHAG-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[N@@H+](C)CCC1CCCC1 ZINC001403166520 1162803021 /nfs/dbraw/zinc/80/30/21/1162803021.db2.gz DHPAGECGKCPHAG-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)NCC[N@H+](C)C1CCCCC1 ZINC001372848556 1156808859 /nfs/dbraw/zinc/80/88/59/1156808859.db2.gz MDRQUNZUPGMGOT-MRXNPFEDSA-N 1 3 310.486 2.034 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC001372848556 1156808860 /nfs/dbraw/zinc/80/88/60/1156808860.db2.gz MDRQUNZUPGMGOT-MRXNPFEDSA-N 1 3 310.486 2.034 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1c(C)cccc1C)N(C)C ZINC001391899172 1156827629 /nfs/dbraw/zinc/82/76/29/1156827629.db2.gz KERFYNFYXUQNPL-RDTXWAMCSA-N 1 3 319.493 2.486 20 0 DEADHO C[C@@H](F)CC[NH2+][C@@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001373031270 1156842086 /nfs/dbraw/zinc/84/20/86/1156842086.db2.gz LOEGKCONCVHUNW-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]C[C@H](C)N(C)C(=O)CN(C)C(C)C ZINC001392135875 1156873981 /nfs/dbraw/zinc/87/39/81/1156873981.db2.gz BWUQAGKBBZHPRY-HNNXBMFYSA-N 1 3 323.456 2.411 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001403252003 1162828250 /nfs/dbraw/zinc/82/82/50/1162828250.db2.gz WKWHVRSLRZFCJX-MRXNPFEDSA-N 1 3 321.440 2.106 20 0 DEADHO C[C@@H](NC[C@H](C)NC(=O)CC[NH+](C)C)c1ccccc1Cl ZINC001392597037 1157190455 /nfs/dbraw/zinc/19/04/55/1157190455.db2.gz YTIRVEFVLQZQRW-QWHCGFSZSA-N 1 3 311.857 2.447 20 0 DEADHO C[C@@H](NC(=O)CN(C)C1CCC1)C1C[NH+](CCC(C)(C)C)C1 ZINC001403298066 1162842671 /nfs/dbraw/zinc/84/26/71/1162842671.db2.gz FZZPMGBLZAHHDB-CQSZACIVSA-N 1 3 309.498 2.343 20 0 DEADHO CCc1cccc(C[NH2+]C[C@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001392621120 1157222244 /nfs/dbraw/zinc/22/22/44/1157222244.db2.gz ZJXLCZUDBRIAOK-HNNXBMFYSA-N 1 3 305.466 2.184 20 0 DEADHO COc1cccc([C@@H](C)N(C)C[C@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001392685697 1157335856 /nfs/dbraw/zinc/33/58/56/1157335856.db2.gz JQEMNOLCQOPLPE-LSDHHAIUSA-N 1 3 321.465 2.144 20 0 DEADHO C[C@H](CN(C)Cc1ccc(Cl)cc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001392728843 1157377282 /nfs/dbraw/zinc/37/72/82/1157377282.db2.gz RGSFHYNDHRGVFP-HIFRSBDPSA-N 1 3 323.868 2.228 20 0 DEADHO C[C@H](CN(C)Cc1ccc(Cl)cc1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392728843 1157377292 /nfs/dbraw/zinc/37/72/92/1157377292.db2.gz RGSFHYNDHRGVFP-HIFRSBDPSA-N 1 3 323.868 2.228 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC2CCC2)[C@H](CC)C1 ZINC001392811637 1157431284 /nfs/dbraw/zinc/43/12/84/1157431284.db2.gz LDOMBWWHRMJTLU-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1cc(C[NH2+]C2(CNC(=O)C3(N(C)C)CCC3)CC2)cs1 ZINC001392910357 1157534141 /nfs/dbraw/zinc/53/41/41/1157534141.db2.gz AFGVCFHVGMVPKZ-UHFFFAOYSA-N 1 3 321.490 2.279 20 0 DEADHO C[C@@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)NC/C(Cl)=C/Cl ZINC001403438954 1162882339 /nfs/dbraw/zinc/88/23/39/1162882339.db2.gz AUMDFDMLJPHYKZ-XNAKUGGASA-N 1 3 322.280 2.132 20 0 DEADHO C[C@@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)NC/C(Cl)=C/Cl ZINC001403438954 1162882338 /nfs/dbraw/zinc/88/23/38/1162882338.db2.gz AUMDFDMLJPHYKZ-XNAKUGGASA-N 1 3 322.280 2.132 20 0 DEADHO CC(C)[C@H](C(=O)N(C)[C@H](C)CNCc1ccccc1F)[NH+](C)C ZINC001374286089 1157803059 /nfs/dbraw/zinc/80/30/59/1157803059.db2.gz UWBURNVMLMCNPB-RHSMWYFYSA-N 1 3 323.456 2.348 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH]cn1 ZINC001374292576 1157804641 /nfs/dbraw/zinc/80/46/41/1157804641.db2.gz FXUUOHKWFNYZSL-CABCVRRESA-N 1 3 314.433 2.458 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCF ZINC001393397867 1157820217 /nfs/dbraw/zinc/82/02/17/1157820217.db2.gz QMGBGKIFMOOOOM-MUJYYYPQSA-N 1 3 313.461 2.047 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCF ZINC001393397867 1157820219 /nfs/dbraw/zinc/82/02/19/1157820219.db2.gz QMGBGKIFMOOOOM-MUJYYYPQSA-N 1 3 313.461 2.047 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2)[C@@H](C)C1 ZINC001374386747 1157834565 /nfs/dbraw/zinc/83/45/65/1157834565.db2.gz SNKWIFHILBCILH-WMZOPIPTSA-N 1 3 317.477 2.355 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1([NH2+]Cc2ccccc2)CCC1)N(C)C ZINC001393544287 1157858156 /nfs/dbraw/zinc/85/81/56/1157858156.db2.gz KWKIDCOXANJDTR-KRWDZBQOSA-N 1 3 317.477 2.401 20 0 DEADHO CC(C)[C@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccccc1 ZINC001374457356 1157862144 /nfs/dbraw/zinc/86/21/44/1157862144.db2.gz XLCMHRRDIVLYFX-KRWDZBQOSA-N 1 3 305.466 2.257 20 0 DEADHO C[NH+](C)CCC(=O)N[C@H]1CCCN(Cc2ccccc2F)CC1 ZINC001393592487 1157871901 /nfs/dbraw/zinc/87/19/01/1157871901.db2.gz FHTQCLRLOCKRQB-INIZCTEOSA-N 1 3 321.440 2.248 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[N@H+](C)C[C@H]1CCC(F)(F)C1)N(C)C ZINC001374535829 1157891617 /nfs/dbraw/zinc/89/16/17/1157891617.db2.gz XEEKOOBBBQSLEL-KBPBESRZSA-N 1 3 319.440 2.152 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)C[C@H]1CCC(F)(F)C1)N(C)C ZINC001374535829 1157891618 /nfs/dbraw/zinc/89/16/18/1157891618.db2.gz XEEKOOBBBQSLEL-KBPBESRZSA-N 1 3 319.440 2.152 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]C[C@@H]1CCCC(F)(F)C1)N(C)C ZINC001374813320 1158039589 /nfs/dbraw/zinc/03/95/89/1158039589.db2.gz FXKPHGRMNTZMRC-MCIONIFRSA-N 1 3 319.440 2.246 20 0 DEADHO CC[C@@H](C(=O)NC1CC(C[NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001393901411 1158055885 /nfs/dbraw/zinc/05/58/85/1158055885.db2.gz NWEKZGSKHDWEHM-PREGVCBESA-N 1 3 321.440 2.150 20 0 DEADHO CC[C@H](C(=O)NC1CC(C[NH2+]Cc2ccsc2)C1)N(C)C ZINC001393904620 1158057760 /nfs/dbraw/zinc/05/77/60/1158057760.db2.gz ZTIYARNZMYJZHN-YMAMQOFZSA-N 1 3 309.479 2.073 20 0 DEADHO C[C@H](C[N@H+](C)CCc1cccs1)NC(=O)C1(N(C)C)CCC1 ZINC001375052787 1158255024 /nfs/dbraw/zinc/25/50/24/1158255024.db2.gz DLZYVOXZSGOSJA-CQSZACIVSA-N 1 3 323.506 2.211 20 0 DEADHO C[C@H](C[N@@H+](C)CCc1cccs1)NC(=O)C1(N(C)C)CCC1 ZINC001375052787 1158255033 /nfs/dbraw/zinc/25/50/33/1158255033.db2.gz DLZYVOXZSGOSJA-CQSZACIVSA-N 1 3 323.506 2.211 20 0 DEADHO C[C@H](C[N@H+](C)CC1CCCCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001375102871 1158317082 /nfs/dbraw/zinc/31/70/82/1158317082.db2.gz MICLTAPKZWSYTH-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](C[N@@H+](C)CC1CCCCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001375102871 1158317090 /nfs/dbraw/zinc/31/70/90/1158317090.db2.gz MICLTAPKZWSYTH-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[N@H+](C)CC1CCCCC1 ZINC001394129963 1158322604 /nfs/dbraw/zinc/32/26/04/1158322604.db2.gz HSCZCUADZFZTGZ-ZDUSSCGKSA-N 1 3 306.454 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[N@@H+](C)CC1CCCCC1 ZINC001394129963 1158322611 /nfs/dbraw/zinc/32/26/11/1158322611.db2.gz HSCZCUADZFZTGZ-ZDUSSCGKSA-N 1 3 306.454 2.277 20 0 DEADHO CC[C@@H](F)CN[C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001394505934 1158597308 /nfs/dbraw/zinc/59/73/08/1158597308.db2.gz QVJMQSUSHMOPPX-ZIAGYGMSSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCc2ccccc2)[C@H]1C ZINC001394673418 1158666608 /nfs/dbraw/zinc/66/66/08/1158666608.db2.gz KSECDFIFCKJCCC-AEFFLSMTSA-N 1 3 317.477 2.148 20 0 DEADHO CC[N@H+](C)CCC(=O)N(C)C[C@H]1CCN1CCc1ccccc1 ZINC001375467158 1158726269 /nfs/dbraw/zinc/72/62/69/1158726269.db2.gz IPYJPPVJPFOGHL-GOSISDBHSA-N 1 3 317.477 2.104 20 0 DEADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H]1CCN1CCc1ccccc1 ZINC001375467158 1158726280 /nfs/dbraw/zinc/72/62/80/1158726280.db2.gz IPYJPPVJPFOGHL-GOSISDBHSA-N 1 3 317.477 2.104 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@]2(CC[N@H+](CCC)C2)C1 ZINC001375805412 1158877616 /nfs/dbraw/zinc/87/76/16/1158877616.db2.gz NGHABEBYIZZZGY-GOSISDBHSA-N 1 3 309.498 2.443 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@]2(CC[N@@H+](CCC)C2)C1 ZINC001375805412 1158877618 /nfs/dbraw/zinc/87/76/18/1158877618.db2.gz NGHABEBYIZZZGY-GOSISDBHSA-N 1 3 309.498 2.443 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]([NH2+]CCC(F)(F)F)C1CC1)N(C)C ZINC001376245737 1159282426 /nfs/dbraw/zinc/28/24/26/1159282426.db2.gz UWPXLXRSPMHXDD-QWHCGFSZSA-N 1 3 323.403 2.009 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[N@H+](C)C/C=C\Cl)C1 ZINC001376287356 1159316084 /nfs/dbraw/zinc/31/60/84/1159316084.db2.gz DZIOAOGFZDBNMH-LYASGUKUSA-N 1 3 315.889 2.250 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[N@@H+](C)C/C=C\Cl)C1 ZINC001376287356 1159316095 /nfs/dbraw/zinc/31/60/95/1159316095.db2.gz DZIOAOGFZDBNMH-LYASGUKUSA-N 1 3 315.889 2.250 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CC2CCCC2)C1 ZINC001376367004 1159364326 /nfs/dbraw/zinc/36/43/26/1159364326.db2.gz WWDVYFQUIMIXHW-DOTOQJQBSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccccc2)C1)N(C)C ZINC001376473865 1159459635 /nfs/dbraw/zinc/45/96/35/1159459635.db2.gz ICKNREHSDPYKBS-FGTMMUONSA-N 1 3 317.477 2.052 20 0 DEADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCc2ccccc21 ZINC001376744174 1159756284 /nfs/dbraw/zinc/75/62/84/1159756284.db2.gz VVWRLEMMQIYFHL-KBXCAEBGSA-N 1 3 315.461 2.253 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCc1ccccc1F ZINC001376782197 1159792261 /nfs/dbraw/zinc/79/22/61/1159792261.db2.gz HJZMLFFBXPTUGX-CQSZACIVSA-N 1 3 321.440 2.294 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N[C@H](C)c1ccccc1F ZINC001376836416 1159818603 /nfs/dbraw/zinc/81/86/03/1159818603.db2.gz DFJMLOQBFHTJDG-ZIAGYGMSSA-N 1 3 309.429 2.323 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N[C@H](C)c1ccccc1F ZINC001376836416 1159818607 /nfs/dbraw/zinc/81/86/07/1159818607.db2.gz DFJMLOQBFHTJDG-ZIAGYGMSSA-N 1 3 309.429 2.323 20 0 DEADHO CC[N@H+](C)CCC(=O)N(C)C[C@H]1CCN1Cc1ccccc1C ZINC001397048954 1159919010 /nfs/dbraw/zinc/91/90/10/1159919010.db2.gz QPAXETWHSJWIGF-GOSISDBHSA-N 1 3 317.477 2.370 20 0 DEADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H]1CCN1Cc1ccccc1C ZINC001397048954 1159919022 /nfs/dbraw/zinc/91/90/22/1159919022.db2.gz QPAXETWHSJWIGF-GOSISDBHSA-N 1 3 317.477 2.370 20 0 DEADHO CC(C)c1ccc(CN(C)CCNC(=O)CC[NH+](C)C)cc1 ZINC001377258891 1160087679 /nfs/dbraw/zinc/08/76/79/1160087679.db2.gz LBTJMWUIMBBTPF-UHFFFAOYSA-N 1 3 305.466 2.310 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC(C)([NH2+]CC[C@@H](C)F)CC1)N(C)C ZINC001377294551 1160151907 /nfs/dbraw/zinc/15/19/07/1160151907.db2.gz WIFVCXAAROOBEZ-CABCVRRESA-N 1 3 315.477 2.291 20 0 DEADHO CCCN(C)CC(=O)N1CCC(C)([NH2+]CC2CC(C)C2)CC1 ZINC001377298915 1160164550 /nfs/dbraw/zinc/16/45/50/1160164550.db2.gz AOSJZUUAWAQVMD-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](CCNC(=O)[C@H]1CCCN1C)[NH2+]Cc1ccccc1Cl ZINC001377416987 1160348079 /nfs/dbraw/zinc/34/80/79/1160348079.db2.gz PBQUJGWYDIPGBR-XJKSGUPXSA-N 1 3 323.868 2.419 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001377459424 1160388393 /nfs/dbraw/zinc/38/83/93/1160388393.db2.gz JOTLXJRFTRSKQO-HZPDHXFCSA-N 1 3 311.514 2.449 20 0 DEADHO CC[C@@H](C)C[N@H+]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001377459424 1160388402 /nfs/dbraw/zinc/38/84/02/1160388402.db2.gz JOTLXJRFTRSKQO-HZPDHXFCSA-N 1 3 311.514 2.449 20 0 DEADHO C[C@@H](c1cccc(F)c1)N(C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001403736113 1163123263 /nfs/dbraw/zinc/12/32/63/1163123263.db2.gz PGXRFOSUYDYAOA-GJZGRUSLSA-N 1 3 321.440 2.277 20 0 DEADHO C[C@@H](c1cccc(F)c1)N(C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001403736113 1163123277 /nfs/dbraw/zinc/12/32/77/1163123277.db2.gz PGXRFOSUYDYAOA-GJZGRUSLSA-N 1 3 321.440 2.277 20 0 DEADHO CC[C@@H](C(=O)NCC1C[NH+]([C@@H](C)c2ccccc2C)C1)N(C)C ZINC001377994937 1160896600 /nfs/dbraw/zinc/89/66/00/1160896600.db2.gz HDHJCSMAILMCPA-YJBOKZPZSA-N 1 3 317.477 2.444 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CC1)[NH+](CC)CC ZINC001378042431 1160952642 /nfs/dbraw/zinc/95/26/42/1160952642.db2.gz OCXXJJIMUVOBRL-YESZJQIVSA-N 1 3 307.482 2.192 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001398968314 1161171584 /nfs/dbraw/zinc/17/15/84/1161171584.db2.gz WNZIORFRBNYGKQ-TZMCWYRMSA-N 1 3 317.424 2.000 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC1CCC2(CC2)CC1 ZINC001399011444 1161188616 /nfs/dbraw/zinc/18/86/16/1161188616.db2.gz BIORVUOTYPYIMM-JKSUJKDBSA-N 1 3 321.509 2.393 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001399170466 1161267267 /nfs/dbraw/zinc/26/72/67/1161267267.db2.gz SKQMPLQBAGZMMW-JXMNSVBMSA-N 1 3 303.450 2.134 20 0 DEADHO C[C@H](F)CC[N@H+](C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001399277822 1161316619 /nfs/dbraw/zinc/31/66/19/1161316619.db2.gz BBPJGTJDFYGWFA-LSDHHAIUSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@H](F)CC[N@@H+](C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001399277822 1161316624 /nfs/dbraw/zinc/31/66/24/1161316624.db2.gz BBPJGTJDFYGWFA-LSDHHAIUSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC1CCCCC1 ZINC001399392780 1161376547 /nfs/dbraw/zinc/37/65/47/1161376547.db2.gz LMBKQIJITRGUBB-CVEARBPZSA-N 1 3 309.498 2.393 20 0 DEADHO Cc1ccccc1CN(C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001399501759 1161429701 /nfs/dbraw/zinc/42/97/01/1161429701.db2.gz KAUIPBUVOGQDPH-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO Cc1ccccc1CN(C)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001399501759 1161429702 /nfs/dbraw/zinc/42/97/02/1161429702.db2.gz KAUIPBUVOGQDPH-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO C[C@@H](c1cccc(F)c1)N(C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001399573442 1161461541 /nfs/dbraw/zinc/46/15/41/1161461541.db2.gz VRYMOELWKTUXCK-AWEZNQCLSA-N 1 3 321.440 2.277 20 0 DEADHO CC[N@H+](CCNC(=O)[C@@H]1CCCN1C)[C@H](C)c1cccc(F)c1 ZINC001399697275 1161529112 /nfs/dbraw/zinc/52/91/12/1161529112.db2.gz ZHFUWCOOMFBCOH-PBHICJAKSA-N 1 3 321.440 2.419 20 0 DEADHO CC[N@@H+](CCNC(=O)[C@@H]1CCCN1C)[C@H](C)c1cccc(F)c1 ZINC001399697275 1161529117 /nfs/dbraw/zinc/52/91/17/1161529117.db2.gz ZHFUWCOOMFBCOH-PBHICJAKSA-N 1 3 321.440 2.419 20 0 DEADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCN(Cc2ccsc2)C1 ZINC001399933928 1161611534 /nfs/dbraw/zinc/61/15/34/1161611534.db2.gz VIWDVKAZXIEQCM-AWEZNQCLSA-N 1 3 309.479 2.028 20 0 DEADHO CC(C)[C@H](C(=O)NCCN(Cc1ccccc1)C1CC1)[NH+](C)C ZINC001400036481 1161638700 /nfs/dbraw/zinc/63/87/00/1161638700.db2.gz AKPOEPIVLSTZGK-GOSISDBHSA-N 1 3 317.477 2.353 20 0 DEADHO CC[C@H](C(=O)N(C)CC[NH2+][C@@H]1CCc2c1cccc2F)N(C)C ZINC001400066538 1161645297 /nfs/dbraw/zinc/64/52/97/1161645297.db2.gz OVROSSCTQWEMES-IAGOWNOFSA-N 1 3 321.440 2.201 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001400184045 1161680470 /nfs/dbraw/zinc/68/04/70/1161680470.db2.gz LYEJVXWSFGBSTD-AEFFLSMTSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001400184045 1161680473 /nfs/dbraw/zinc/68/04/73/1161680473.db2.gz LYEJVXWSFGBSTD-AEFFLSMTSA-N 1 3 321.509 2.347 20 0 DEADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(C)cc1 ZINC001400808117 1161825553 /nfs/dbraw/zinc/82/55/53/1161825553.db2.gz CYOUWXUMHXNVRC-KRWDZBQOSA-N 1 3 317.477 2.464 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2CC[C@H]([NH2+]C/C=C/Cl)CC2)CCC1 ZINC001401046499 1161864016 /nfs/dbraw/zinc/86/40/16/1161864016.db2.gz NCYRUXPGFWNINS-NNLSDYADSA-N 1 3 313.873 2.240 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)C[NH2+]CC1CCC1 ZINC001401110789 1161875515 /nfs/dbraw/zinc/87/55/15/1161875515.db2.gz XZOKAYPGNHJGDO-OAHLLOKOSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@@H](C[NH2+]CC1CC2(CCC2)C1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001401249225 1161904650 /nfs/dbraw/zinc/90/46/50/1161904650.db2.gz ZLYSGLOZPITUOF-CVEARBPZSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)c1cccc(F)c1)N(C)C ZINC001401695065 1162078585 /nfs/dbraw/zinc/07/85/85/1162078585.db2.gz PDODHCPDPJJQJW-WOSRLPQWSA-N 1 3 309.429 2.321 20 0 DEADHO Cc1cc(F)ccc1CN(C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401815208 1162143445 /nfs/dbraw/zinc/14/34/45/1162143445.db2.gz ZQGHULMTZGQTRH-GDBMZVCRSA-N 1 3 321.440 2.022 20 0 DEADHO Cc1cc(F)ccc1CN(C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401815208 1162143449 /nfs/dbraw/zinc/14/34/49/1162143449.db2.gz ZQGHULMTZGQTRH-GDBMZVCRSA-N 1 3 321.440 2.022 20 0 DEADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCN2CCCC2CCCC2)C1 ZINC001401930245 1162185720 /nfs/dbraw/zinc/18/57/20/1162185720.db2.gz QYUVDUSAQIKWCD-QZTJIDSGSA-N 1 3 321.509 2.489 20 0 DEADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CCN2CCCC2CCCC2)C1 ZINC001401930245 1162185722 /nfs/dbraw/zinc/18/57/22/1162185722.db2.gz QYUVDUSAQIKWCD-QZTJIDSGSA-N 1 3 321.509 2.489 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1(NCCC(F)(F)F)CC1 ZINC001401946413 1162192664 /nfs/dbraw/zinc/19/26/64/1162192664.db2.gz GMBCMYQOLILFIL-GFCCVEGCSA-N 1 3 321.387 2.052 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCC1(NCCC(F)(F)F)CC1 ZINC001401946413 1162192669 /nfs/dbraw/zinc/19/26/69/1162192669.db2.gz GMBCMYQOLILFIL-GFCCVEGCSA-N 1 3 321.387 2.052 20 0 DEADHO CC(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]21 ZINC001403785130 1163181257 /nfs/dbraw/zinc/18/12/57/1163181257.db2.gz NTPNCLDUEMNLFM-BRWVUGGUSA-N 1 3 309.498 2.199 20 0 DEADHO CC[N@H+](CCNC(=O)[C@@H]1CCCN1C)Cc1ccc(F)cc1C ZINC001492925852 1163287847 /nfs/dbraw/zinc/28/78/47/1163287847.db2.gz QILXQZGTMGMUBA-KRWDZBQOSA-N 1 3 321.440 2.166 20 0 DEADHO CC[N@@H+](CCNC(=O)[C@@H]1CCCN1C)Cc1ccc(F)cc1C ZINC001492925852 1163287854 /nfs/dbraw/zinc/28/78/54/1163287854.db2.gz QILXQZGTMGMUBA-KRWDZBQOSA-N 1 3 321.440 2.166 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)CN(C)C(C)C)cc1C ZINC001405720738 1164204292 /nfs/dbraw/zinc/20/42/92/1164204292.db2.gz SDWFZMMTHGXNKY-HNNXBMFYSA-N 1 3 319.493 2.486 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1csc(C)c1)N(C)C ZINC001405734296 1164209900 /nfs/dbraw/zinc/20/99/00/1164209900.db2.gz ORKRAPHGKFNJDA-WFASDCNBSA-N 1 3 311.495 2.239 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1F)C(C)C)N(C)C ZINC001406067142 1164420920 /nfs/dbraw/zinc/42/09/20/1164420920.db2.gz OHOIFKMJPCSWRA-SJORKVTESA-N 1 3 323.456 2.396 20 0 DEADHO Cc1ccc(CN(C)CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)cc1C ZINC001406165139 1164487162 /nfs/dbraw/zinc/48/71/62/1164487162.db2.gz MMOFPGDMYGTQFO-SFHVURJKSA-N 1 3 317.477 2.145 20 0 DEADHO Cc1ccc(CN(C)CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)cc1C ZINC001406165139 1164487165 /nfs/dbraw/zinc/48/71/65/1164487165.db2.gz MMOFPGDMYGTQFO-SFHVURJKSA-N 1 3 317.477 2.145 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCC2CC2)C1 ZINC001406171020 1164490524 /nfs/dbraw/zinc/49/05/24/1164490524.db2.gz BMNPJRFLAXNINE-SJORKVTESA-N 1 3 307.482 2.051 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCC2CC2)C1 ZINC001406171020 1164490531 /nfs/dbraw/zinc/49/05/31/1164490531.db2.gz BMNPJRFLAXNINE-SJORKVTESA-N 1 3 307.482 2.051 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@H](C)c1cccc(F)c1 ZINC001406422090 1164586179 /nfs/dbraw/zinc/58/61/79/1164586179.db2.gz NXIDKMNYSGGJCZ-ZIAGYGMSSA-N 1 3 309.429 2.323 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]Cc1c(C)cccc1C ZINC001406548172 1164670888 /nfs/dbraw/zinc/67/08/88/1164670888.db2.gz XSONWHGSPLSKEP-INIZCTEOSA-N 1 3 305.466 2.240 20 0 DEADHO C[C@H](CN(C)Cc1ccc(F)cc1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001406683017 1164788864 /nfs/dbraw/zinc/78/88/64/1164788864.db2.gz BCGDDUYVJHTPDN-ZBFHGGJFSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@H](CN(C)Cc1ccc(F)cc1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001406683017 1164788873 /nfs/dbraw/zinc/78/88/73/1164788873.db2.gz BCGDDUYVJHTPDN-ZBFHGGJFSA-N 1 3 321.440 2.104 20 0 DEADHO CN1CCC[C@H]1C(=O)NCC[N@H+](CCF)C1CCCCCC1 ZINC001407007702 1164921514 /nfs/dbraw/zinc/92/15/14/1164921514.db2.gz BGLUUJCBAKZWJS-INIZCTEOSA-N 1 3 313.461 2.191 20 0 DEADHO CN1CCC[C@H]1C(=O)NCC[N@@H+](CCF)C1CCCCCC1 ZINC001407007702 1164921519 /nfs/dbraw/zinc/92/15/19/1164921519.db2.gz BGLUUJCBAKZWJS-INIZCTEOSA-N 1 3 313.461 2.191 20 0 DEADHO CC[C@@H](F)CNC1(CNC(=O)CC2CC[NH+](C)CC2)CCC1 ZINC001407805570 1165320580 /nfs/dbraw/zinc/32/05/80/1165320580.db2.gz WERBTPYESOMNKQ-OAHLLOKOSA-N 1 3 313.461 2.095 20 0 DEADHO CN(CC(=O)N[C@H]1CC[N@H+](CCCF)CC1(C)C)C1CCC1 ZINC001408139504 1165493882 /nfs/dbraw/zinc/49/38/82/1165493882.db2.gz KVFWDLBHJUYPLU-HNNXBMFYSA-N 1 3 313.461 2.047 20 0 DEADHO CN(CC(=O)N[C@H]1CC[N@@H+](CCCF)CC1(C)C)C1CCC1 ZINC001408139504 1165493885 /nfs/dbraw/zinc/49/38/85/1165493885.db2.gz KVFWDLBHJUYPLU-HNNXBMFYSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[N@H+](C)CCC2CC2)C1 ZINC001408353146 1165608232 /nfs/dbraw/zinc/60/82/32/1165608232.db2.gz IIQTWFPIINLNBB-NVXWUHKLSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[N@@H+](C)CCC2CC2)C1 ZINC001408353146 1165608236 /nfs/dbraw/zinc/60/82/36/1165608236.db2.gz IIQTWFPIINLNBB-NVXWUHKLSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001417618277 1167088737 /nfs/dbraw/zinc/08/87/37/1167088737.db2.gz QULNGYICHKHYRG-JFIYKMOQSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N(C)CC(=O)N1CC2(C[C@@H]1C)CC[NH+](C(C)C)CC2 ZINC001417816532 1167232361 /nfs/dbraw/zinc/23/23/61/1167232361.db2.gz WXXRKKWIISXOGC-INIZCTEOSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCC1CC1)C1CC1 ZINC001417975802 1167339603 /nfs/dbraw/zinc/33/96/03/1167339603.db2.gz GRITWLIMNNGCLI-IRXDYDNUSA-N 1 3 307.482 2.144 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc(C)c2)C1)N(C)C ZINC001418105216 1167413064 /nfs/dbraw/zinc/41/30/64/1167413064.db2.gz WLOAUDDAOACOMW-ZNMIVQPWSA-N 1 3 309.479 2.134 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(Cl)cc1 ZINC001418234282 1167508442 /nfs/dbraw/zinc/50/84/42/1167508442.db2.gz KMTJUOPVRMBXHB-ZDUSSCGKSA-N 1 3 323.868 2.419 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]Cc1ccccc1 ZINC001418260999 1167528004 /nfs/dbraw/zinc/52/80/04/1167528004.db2.gz JOLPLBKWDGGPQS-OAHLLOKOSA-N 1 3 303.450 2.155 20 0 DEADHO CC(C)CN1CC[C@H]1CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001418590438 1167831079 /nfs/dbraw/zinc/83/10/79/1167831079.db2.gz DITJENAGXYPZQT-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)N1CCCCCC1 ZINC001418590438 1167831081 /nfs/dbraw/zinc/83/10/81/1167831081.db2.gz DITJENAGXYPZQT-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)N1CCCCCC1 ZINC001418590438 1167831083 /nfs/dbraw/zinc/83/10/83/1167831083.db2.gz DITJENAGXYPZQT-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[N@H+](CCNC(=O)C(C)(C)N1CCCCC1)C1CC1 ZINC001418762091 1167950938 /nfs/dbraw/zinc/95/09/38/1167950938.db2.gz HTLZHZXYXOKLBI-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[N@@H+](CCNC(=O)C(C)(C)N1CCCCC1)C1CC1 ZINC001418762091 1167950944 /nfs/dbraw/zinc/95/09/44/1167950944.db2.gz HTLZHZXYXOKLBI-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](c1ccc(F)cc1)N(CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001418791037 1167963679 /nfs/dbraw/zinc/96/36/79/1167963679.db2.gz MFTNATONBPWMJK-CQSZACIVSA-N 1 3 321.440 2.419 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@H](CC[NH+](C)C)C2)c1 ZINC001419415099 1168456332 /nfs/dbraw/zinc/45/63/32/1168456332.db2.gz NTVMMSHIIGKGER-HNNXBMFYSA-N 1 3 303.450 2.162 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001419694338 1168806151 /nfs/dbraw/zinc/80/61/51/1168806151.db2.gz GLAQFFRDJHRTEN-NVXWUHKLSA-N 1 3 303.450 2.026 20 0 DEADHO CCCN(C)CC(=O)NCC[N@H+](C)Cc1ccc(C)c(C)c1 ZINC001420343048 1169380244 /nfs/dbraw/zinc/38/02/44/1169380244.db2.gz SFLNNKWPQGRWMR-UHFFFAOYSA-N 1 3 305.466 2.193 20 0 DEADHO CCCN(C)CC(=O)NCC[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC001420343048 1169380247 /nfs/dbraw/zinc/38/02/47/1169380247.db2.gz SFLNNKWPQGRWMR-UHFFFAOYSA-N 1 3 305.466 2.193 20 0 DEADHO C[C@@H](C[NH2+]Cc1ccc(CF)cc1)NC(=O)CN(C)C1CCC1 ZINC001420440528 1169556372 /nfs/dbraw/zinc/55/63/72/1169556372.db2.gz URLGEQOGRJDIDI-AWEZNQCLSA-N 1 3 321.440 2.235 20 0 DEADHO Cc1ccc(F)c(CNC[C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001420510272 1169689163 /nfs/dbraw/zinc/68/91/63/1169689163.db2.gz XRJVSYZTPUBZGT-LSDHHAIUSA-N 1 3 321.440 2.070 20 0 DEADHO Cc1ccc(F)c(CNC[C@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001420510272 1169689177 /nfs/dbraw/zinc/68/91/77/1169689177.db2.gz XRJVSYZTPUBZGT-LSDHHAIUSA-N 1 3 321.440 2.070 20 0 DEADHO CCCN(CCNC(=O)C1CC[NH+](C)CC1)Cc1ccsc1 ZINC001420614062 1169829143 /nfs/dbraw/zinc/82/91/43/1169829143.db2.gz YRLUKMHVJCSJBO-UHFFFAOYSA-N 1 3 323.506 2.418 20 0 DEADHO C[C@@H]([NH2+]CCN(C)C(=O)C1(N(C)C)CCC1)c1ccccc1 ZINC001420737171 1171095371 /nfs/dbraw/zinc/09/53/71/1171095371.db2.gz URIVPPYTWWHWAA-OAHLLOKOSA-N 1 3 303.450 2.280 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[C@H]1CC[N@H+](CC2CC2)C1 ZINC001420880761 1171315462 /nfs/dbraw/zinc/31/54/62/1171315462.db2.gz WWWUIUHERBPJLL-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001420880761 1171315468 /nfs/dbraw/zinc/31/54/68/1171315468.db2.gz WWWUIUHERBPJLL-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](C)C[N@@H+]1CC[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001420886727 1171320831 /nfs/dbraw/zinc/32/08/31/1171320831.db2.gz JJEBRMSKUGFJHR-ZFWWWQNUSA-N 1 3 306.454 2.135 20 0 DEADHO CC[C@H](C)C[N@H+]1CC[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001420886727 1171320838 /nfs/dbraw/zinc/32/08/38/1171320838.db2.gz JJEBRMSKUGFJHR-ZFWWWQNUSA-N 1 3 306.454 2.135 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCc3ccsc3)CC2)CC[N@@H+]1C ZINC001420944227 1171369693 /nfs/dbraw/zinc/36/96/93/1171369693.db2.gz YEXXBQKIKAKZHL-LSDHHAIUSA-N 1 3 321.490 2.217 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCc3ccsc3)CC2)CC[N@H+]1C ZINC001420944227 1171369700 /nfs/dbraw/zinc/36/97/00/1171369700.db2.gz YEXXBQKIKAKZHL-LSDHHAIUSA-N 1 3 321.490 2.217 20 0 DEADHO CC[C@@H](F)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1c[nH]cn1 ZINC001421012030 1171427188 /nfs/dbraw/zinc/42/71/88/1171427188.db2.gz YKGVVKCDTKPERT-WPXLMEDKSA-N 1 3 322.428 2.202 20 0 DEADHO CC(C)C[C@H](C)C[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001421130221 1171517509 /nfs/dbraw/zinc/51/75/09/1171517509.db2.gz YHLKJEOYOKWDOC-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@](C)(C[NH2+]CC3CCC3)C2)CCC1 ZINC001421237139 1171624149 /nfs/dbraw/zinc/62/41/49/1171624149.db2.gz DVJLFNDFHQYRIX-KRWDZBQOSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H](CNCc1ccccc1Cl)NC(=O)C1(C[NH+](C)C)CC1 ZINC001422553501 1172701587 /nfs/dbraw/zinc/70/15/87/1172701587.db2.gz ZCLBUBXIUVKQBB-CYBMUJFWSA-N 1 3 323.868 2.276 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001422657420 1172795852 /nfs/dbraw/zinc/79/58/52/1172795852.db2.gz CMHVDBADQQHVBD-XJKSGUPXSA-N 1 3 309.429 2.091 20 0 DEADHO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)o1 ZINC001422972497 1172987746 /nfs/dbraw/zinc/98/77/46/1172987746.db2.gz NMWRUWHNCFYVMD-AEGPPILISA-N 1 3 300.406 2.408 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C[NH2+]CC1CCCC1)C1CC1)N(C)C ZINC001423040392 1173035209 /nfs/dbraw/zinc/03/52/09/1173035209.db2.gz NLJPXEILKBFCBW-DLBZAZTESA-N 1 3 309.498 2.247 20 0 DEADHO C[C@H]1C[C@@H](NCCF)CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001423337463 1173261100 /nfs/dbraw/zinc/26/11/00/1173261100.db2.gz WBAILBLWMBOLAM-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@H+](CC3CC(C)C3)C2)C1 ZINC001423374028 1173313469 /nfs/dbraw/zinc/31/34/69/1173313469.db2.gz HRFIIPUWOUMLJQ-FAFZWHIHSA-N 1 3 321.509 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@@H+](CC3CC(C)C3)C2)C1 ZINC001423374028 1173313481 /nfs/dbraw/zinc/31/34/81/1173313481.db2.gz HRFIIPUWOUMLJQ-FAFZWHIHSA-N 1 3 321.509 2.299 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]2C[N@@H+](C(C)C)C[C@H]21)N(CC)CC ZINC001424044999 1173627247 /nfs/dbraw/zinc/62/72/47/1173627247.db2.gz YAKIUBCBHHSEAQ-GVDBMIGSSA-N 1 3 309.498 2.438 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]2C[N@H+](C(C)C)C[C@H]21)N(CC)CC ZINC001424044999 1173627250 /nfs/dbraw/zinc/62/72/50/1173627250.db2.gz YAKIUBCBHHSEAQ-GVDBMIGSSA-N 1 3 309.498 2.438 20 0 DEADHO CN(CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)CCC(F)(F)F ZINC001424326796 1173762299 /nfs/dbraw/zinc/76/22/99/1173762299.db2.gz OLDRSBWSMRQDEY-ZDUSSCGKSA-N 1 3 323.403 2.061 20 0 DEADHO CN(CCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)CCC(F)(F)F ZINC001424326796 1173762311 /nfs/dbraw/zinc/76/23/11/1173762311.db2.gz OLDRSBWSMRQDEY-ZDUSSCGKSA-N 1 3 323.403 2.061 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(C)c(F)c1 ZINC001424853529 1173990311 /nfs/dbraw/zinc/99/03/11/1173990311.db2.gz UXPZBODCYRAMAP-LSDHHAIUSA-N 1 3 323.456 2.459 20 0 DEADHO CC(C)[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001425366800 1174295449 /nfs/dbraw/zinc/29/54/49/1174295449.db2.gz GLFHXRVELWNESM-ARFHVFGLSA-N 1 3 307.482 2.096 20 0 DEADHO CC(C)[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001425366800 1174295454 /nfs/dbraw/zinc/29/54/54/1174295454.db2.gz GLFHXRVELWNESM-ARFHVFGLSA-N 1 3 307.482 2.096 20 0 DEADHO CC[C@H](C)C[C@@H](CO)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001434527164 1178774140 /nfs/dbraw/zinc/77/41/40/1178774140.db2.gz MFHURTXKKDWMTR-NALMEZQBSA-N 1 3 312.498 2.407 20 0 DEADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCC=C(Cl)Cl ZINC001436283213 1179027614 /nfs/dbraw/zinc/02/76/14/1179027614.db2.gz WTHXWCRCXONKOW-VXGBXAGGSA-N 1 3 322.280 2.084 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H](F)CC)C1 ZINC001436345845 1179055239 /nfs/dbraw/zinc/05/52/39/1179055239.db2.gz OARQOBOQAOLNJI-JONQDZQNSA-N 1 3 313.461 2.093 20 0 DEADHO CC[C@@H](C(=O)N1CCCCC[C@H](NCCF)C1)[NH+](CC)CC ZINC001436475002 1179131300 /nfs/dbraw/zinc/13/13/00/1179131300.db2.gz JRQVHNVZVNPVSB-HOTGVXAUSA-N 1 3 315.477 2.437 20 0 DEADHO Cc1cc(F)ccc1C[NH2+][C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001437151967 1179489529 /nfs/dbraw/zinc/48/95/29/1179489529.db2.gz WVFNLRAWUKICSS-CQSZACIVSA-N 1 3 321.440 2.213 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)NC/C=C\Cl ZINC001437173227 1179518099 /nfs/dbraw/zinc/51/80/99/1179518099.db2.gz VGRNDHURULGBDQ-PGJNLMOESA-N 1 3 315.889 2.486 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)NC/C=C\Cl ZINC001437173227 1179518110 /nfs/dbraw/zinc/51/81/10/1179518110.db2.gz VGRNDHURULGBDQ-PGJNLMOESA-N 1 3 315.889 2.486 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCC1CCCCC1 ZINC001437214653 1179594882 /nfs/dbraw/zinc/59/48/82/1179594882.db2.gz WQZABOMRNJEWPN-JKSUJKDBSA-N 1 3 309.498 2.393 20 0 DEADHO Cc1ccc(C[N@@H+](CCNC(=O)CN(C)C(C)C)C2CC2)cc1 ZINC001437812096 1180008576 /nfs/dbraw/zinc/00/85/76/1180008576.db2.gz LKJZRSQYBSJXBE-UHFFFAOYSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1ccc(C[N@H+](CCNC(=O)CN(C)C(C)C)C2CC2)cc1 ZINC001437812096 1180008582 /nfs/dbraw/zinc/00/85/82/1180008582.db2.gz LKJZRSQYBSJXBE-UHFFFAOYSA-N 1 3 317.477 2.416 20 0 DEADHO CC[C@H](C(=O)NC[C@H]([NH2+]CC(C)C)c1ccccc1)N(C)C ZINC001437871539 1180039343 /nfs/dbraw/zinc/03/93/43/1180039343.db2.gz LGPDVYGSLKOKCW-DLBZAZTESA-N 1 3 305.466 2.430 20 0 DEADHO CC(C)[NH2+][C@@H](CNC(=O)CN(C)C1CCC1)c1ccccc1 ZINC001437874025 1180040718 /nfs/dbraw/zinc/04/07/18/1180040718.db2.gz WMNAROZXPLRAPX-KRWDZBQOSA-N 1 3 303.450 2.326 20 0 DEADHO CC[C@H](F)C[NH2+]C1(CNC(=O)[C@H](CC)N(C)C)CCCC1 ZINC001438608610 1180660946 /nfs/dbraw/zinc/66/09/46/1180660946.db2.gz UDQMJCOUPIZFEH-KBPBESRZSA-N 1 3 301.450 2.093 20 0 DEADHO CCc1ccc(CN(C)CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001438935320 1180857573 /nfs/dbraw/zinc/85/75/73/1180857573.db2.gz BUYNMNIJLKMCIN-GOSISDBHSA-N 1 3 317.477 2.091 20 0 DEADHO CCc1ccc(CN(C)CCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001438935320 1180857574 /nfs/dbraw/zinc/85/75/74/1180857574.db2.gz BUYNMNIJLKMCIN-GOSISDBHSA-N 1 3 317.477 2.091 20 0 DEADHO CC(C)CCCN1CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001439562276 1181145089 /nfs/dbraw/zinc/14/50/89/1181145089.db2.gz RBRKCCXQOFYWQP-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+]CC2CCC(C)CC2)CC1 ZINC001439673779 1181195452 /nfs/dbraw/zinc/19/54/52/1181195452.db2.gz CDTVWKSYOREMGS-UHFFFAOYSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H]([NH2+]C/C=C\Cl)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001440116207 1181356479 /nfs/dbraw/zinc/35/64/79/1181356479.db2.gz NWLWNVTYXLXIQB-UXCCSRGFSA-N 1 3 313.873 2.050 20 0 DEADHO CC(C)CCN1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001440229967 1181393233 /nfs/dbraw/zinc/39/32/33/1181393233.db2.gz MPSZCPGRGAVZDW-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)N1CCCC1 ZINC001440229967 1181393241 /nfs/dbraw/zinc/39/32/41/1181393241.db2.gz MPSZCPGRGAVZDW-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)N1CCCC1 ZINC001440229967 1181393249 /nfs/dbraw/zinc/39/32/49/1181393249.db2.gz MPSZCPGRGAVZDW-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@H](C)CC)C1 ZINC001440342112 1181456624 /nfs/dbraw/zinc/45/66/24/1181456624.db2.gz NNJXWKQIAGWOOJ-QBPKDAKJSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1cc(CN(C)CCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)cs1 ZINC001440483849 1181549566 /nfs/dbraw/zinc/54/95/66/1181549566.db2.gz QUGVWZNHTMAOSV-INIZCTEOSA-N 1 3 323.506 2.289 20 0 DEADHO Cc1cc(CN(C)CCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)cs1 ZINC001440483849 1181549571 /nfs/dbraw/zinc/54/95/71/1181549571.db2.gz QUGVWZNHTMAOSV-INIZCTEOSA-N 1 3 323.506 2.289 20 0 DEADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CC1CC(F)(F)C1 ZINC001440664256 1181634792 /nfs/dbraw/zinc/63/47/92/1181634792.db2.gz JQFGVCUWMUQNFY-LBPRGKRZSA-N 1 3 317.424 2.000 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC001440850641 1181728559 /nfs/dbraw/zinc/72/85/59/1181728559.db2.gz DXTMCAQBBYKWBL-UONOGXRCSA-N 1 3 309.429 2.149 20 0 DEADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)CCc1cccs1 ZINC001440936973 1181783468 /nfs/dbraw/zinc/78/34/68/1181783468.db2.gz PLBHAFUIAUDRBP-CQSZACIVSA-N 1 3 323.506 2.211 20 0 DEADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)CCc1cccs1 ZINC001440936973 1181783472 /nfs/dbraw/zinc/78/34/72/1181783472.db2.gz PLBHAFUIAUDRBP-CQSZACIVSA-N 1 3 323.506 2.211 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]21)N(C)C ZINC001441290922 1181931955 /nfs/dbraw/zinc/93/19/55/1181931955.db2.gz VRHHWUVBJNMFNS-NXOAAHMSSA-N 1 3 321.509 2.057 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]21)N(C)C ZINC001441290922 1181931964 /nfs/dbraw/zinc/93/19/64/1181931964.db2.gz VRHHWUVBJNMFNS-NXOAAHMSSA-N 1 3 321.509 2.057 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2C)C1 ZINC001441371123 1181959956 /nfs/dbraw/zinc/95/99/56/1181959956.db2.gz BNIGAZRNDWVIDH-SAABIXHNSA-N 1 3 317.477 2.321 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)CCC)C1 ZINC001441476998 1182013596 /nfs/dbraw/zinc/01/35/96/1182013596.db2.gz MQGCKZMDWFOQMA-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)CCC)C1 ZINC001441476998 1182013602 /nfs/dbraw/zinc/01/36/02/1182013602.db2.gz MQGCKZMDWFOQMA-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001441597032 1182082207 /nfs/dbraw/zinc/08/22/07/1182082207.db2.gz XIJUYPJMQHXENS-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)cc1C ZINC001441618589 1182093782 /nfs/dbraw/zinc/09/37/82/1182093782.db2.gz FJXKAWLJBFXWCF-OAHLLOKOSA-N 1 3 323.456 2.412 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001441844622 1182210735 /nfs/dbraw/zinc/21/07/35/1182210735.db2.gz HUEJBDDDGADVFP-GOEBONIOSA-N 1 3 309.498 2.390 20 0 DEADHO CCc1cccc(C[NH2+][C@H](C)CNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001441942377 1182261884 /nfs/dbraw/zinc/26/18/84/1182261884.db2.gz BZGODBQARZRYKW-HZPDHXFCSA-N 1 3 317.477 2.185 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)C1CC[NH+](CCCF)CC1)N(C)C ZINC001442201912 1182365308 /nfs/dbraw/zinc/36/53/08/1182365308.db2.gz AAGDVTLXCUXNGD-GDBMZVCRSA-N 1 3 315.477 2.149 20 0 DEADHO CC[NH2+]Cc1ccc(CNC(=O)[C@H](C(C)C)N(C)C)c(F)c1 ZINC001442268883 1182396674 /nfs/dbraw/zinc/39/66/74/1182396674.db2.gz IXYKLSWYBAPCJJ-INIZCTEOSA-N 1 3 309.429 2.138 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CCNC(=O)C2(N(C)C)CCC2)cc1 ZINC001442343955 1182426260 /nfs/dbraw/zinc/42/62/60/1182426260.db2.gz CYFVWOPLEBZUFX-MRXNPFEDSA-N 1 3 317.477 2.464 20 0 DEADHO Cc1ccc(C[N@@H+](C)CCNC(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001442411849 1182461138 /nfs/dbraw/zinc/46/11/38/1182461138.db2.gz HOYVHKRQOJWNRI-UHFFFAOYSA-N 1 3 317.477 2.336 20 0 DEADHO Cc1ccc(C[N@H+](C)CCNC(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001442411849 1182461141 /nfs/dbraw/zinc/46/11/41/1182461141.db2.gz HOYVHKRQOJWNRI-UHFFFAOYSA-N 1 3 317.477 2.336 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](C)CC1CC(C)(C)C1 ZINC001442620577 1182577781 /nfs/dbraw/zinc/57/77/81/1182577781.db2.gz OOEXJIMXVGWCSX-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](C)CC1CC(C)(C)C1 ZINC001442620577 1182577784 /nfs/dbraw/zinc/57/77/84/1182577784.db2.gz OOEXJIMXVGWCSX-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001442900352 1182779651 /nfs/dbraw/zinc/77/96/51/1182779651.db2.gz FIMKTZPNFINKFX-AWEZNQCLSA-N 1 3 309.479 2.028 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001442900352 1182779661 /nfs/dbraw/zinc/77/96/61/1182779661.db2.gz FIMKTZPNFINKFX-AWEZNQCLSA-N 1 3 309.479 2.028 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)CC[NH2+][C@H]2CCc3ccccc32)C1 ZINC001443077575 1182842260 /nfs/dbraw/zinc/84/22/60/1182842260.db2.gz JTWAHNSPQWOPOE-QAPCUYQASA-N 1 3 315.461 2.064 20 0 DEADHO CC[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCCN1C)c1ccc(F)cc1 ZINC001443086521 1182844879 /nfs/dbraw/zinc/84/48/79/1182844879.db2.gz NVGHYNFEECFOSQ-IAGOWNOFSA-N 1 3 321.440 2.419 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@H+](C)C/C=C\Cl)C2)CCC1 ZINC001443316329 1182922242 /nfs/dbraw/zinc/92/22/42/1182922242.db2.gz AMLJRBNMTYAXQP-UQYHUFHVSA-N 1 3 313.873 2.004 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@@H+](C)C/C=C\Cl)C2)CCC1 ZINC001443316329 1182922251 /nfs/dbraw/zinc/92/22/51/1182922251.db2.gz AMLJRBNMTYAXQP-UQYHUFHVSA-N 1 3 313.873 2.004 20 0 DEADHO CC(C)C[NH2+]C[C@H](C)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC001444721292 1183530417 /nfs/dbraw/zinc/53/04/17/1183530417.db2.gz MCEZOGRQGLLBHS-HNNXBMFYSA-N 1 3 305.466 2.454 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccsc2)[C@@H](C)C1 ZINC001444785187 1183553831 /nfs/dbraw/zinc/55/38/31/1183553831.db2.gz INBRUOFSKCVYGX-HOCLYGCPSA-N 1 3 323.506 2.415 20 0 DEADHO CC(C)[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCC(F)(F)F ZINC001444862034 1183602063 /nfs/dbraw/zinc/60/20/63/1183602063.db2.gz CDWMJEOIRREUQO-LBPRGKRZSA-N 1 3 323.403 2.154 20 0 DEADHO Cc1ccc(F)c(CN[C@@H](CNC(=O)CC[NH+](C)C)C(C)C)c1 ZINC001444896794 1183627092 /nfs/dbraw/zinc/62/70/92/1183627092.db2.gz BZPWPGYEPSCBMU-KRWDZBQOSA-N 1 3 323.456 2.316 20 0 DEADHO C[C@@H](C[NH2+]CC1CC(C)C1)NC(=O)C(C)(C)N1CCCCC1 ZINC001445544962 1183897611 /nfs/dbraw/zinc/89/76/11/1183897611.db2.gz FUPNOCFQPHTQNX-PCKAHOCUSA-N 1 3 309.498 2.391 20 0 DEADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCN2CCCC(C)(C)C)CC1 ZINC001446082586 1184218855 /nfs/dbraw/zinc/21/88/55/1184218855.db2.gz DQBUNKXNBRAOTG-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2(NC/C=C\Cl)CC2)C1 ZINC001446269527 1184292103 /nfs/dbraw/zinc/29/21/03/1184292103.db2.gz YJCTVTZCHWSZGU-LTZSUWJESA-N 1 3 313.873 2.098 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001446456857 1184358015 /nfs/dbraw/zinc/35/80/15/1184358015.db2.gz QVMWFQLVHPIHDN-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]CC1CC1)C1CCCC1)N(C)C ZINC001446485638 1184369948 /nfs/dbraw/zinc/36/99/48/1184369948.db2.gz AJKSKCDRSKUOAQ-IRXDYDNUSA-N 1 3 309.498 2.247 20 0 DEADHO CC[NH2+][C@H](C)c1ccc(CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001447085696 1184632172 /nfs/dbraw/zinc/63/21/72/1184632172.db2.gz HHOKYSGZLGKBGP-CQSZACIVSA-N 1 3 303.450 2.458 20 0 DEADHO Cc1cc(F)ccc1C[NH2+][C@@H](C)CCNC(=O)CN(C)C(C)C ZINC001447696870 1184844752 /nfs/dbraw/zinc/84/47/52/1184844752.db2.gz IXNSPXWJGUHITI-HNNXBMFYSA-N 1 3 323.456 2.459 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CCC(C)(C)C ZINC001447783403 1184872865 /nfs/dbraw/zinc/87/28/65/1184872865.db2.gz YGGXXUSVEMLKIO-CVEARBPZSA-N 1 3 309.498 2.440 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CCC(C)(C)C ZINC001447783403 1184872867 /nfs/dbraw/zinc/87/28/67/1184872867.db2.gz YGGXXUSVEMLKIO-CVEARBPZSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H](CNC(=O)CC[NH+](C)C)N(C)C/C=C\c1ccccc1 ZINC001448082812 1185064639 /nfs/dbraw/zinc/06/46/39/1185064639.db2.gz HWDGXZOKNNBPQY-JXMNSVBMSA-N 1 3 303.450 2.088 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[N@H+](C)Cc1cccc(C)c1 ZINC001448121494 1185086941 /nfs/dbraw/zinc/08/69/41/1185086941.db2.gz YFMXSYMCQBTXOZ-MRXNPFEDSA-N 1 3 305.466 2.273 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1cccc(C)c1 ZINC001448121494 1185086943 /nfs/dbraw/zinc/08/69/43/1185086943.db2.gz YFMXSYMCQBTXOZ-MRXNPFEDSA-N 1 3 305.466 2.273 20 0 DEADHO CC[C@H]1CN(C)CCCN1C(=O)C1CC[NH+](CC(C)C)CC1 ZINC001448717032 1185381116 /nfs/dbraw/zinc/38/11/16/1185381116.db2.gz ABXBPBIJYHZPGS-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[NH+]1CCC(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC001449062637 1185514657 /nfs/dbraw/zinc/51/46/57/1185514657.db2.gz HLBFMJHGVQRYFP-GOSISDBHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]Cc2ccsc2)C1 ZINC001449398090 1185701135 /nfs/dbraw/zinc/70/11/35/1185701135.db2.gz ADMCBVKCDDYJQV-UHFFFAOYSA-N 1 3 309.479 2.167 20 0 DEADHO CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001370521535 1149804406 /nfs/dbraw/zinc/80/44/06/1149804406.db2.gz GALPIGGYUVMUDT-VGWMRTNUSA-N 1 3 313.461 2.234 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1)C2)N(C)C ZINC001072849379 790271624 /nfs/dbraw/zinc/27/16/24/790271624.db2.gz CEZYZPGGRVXPDU-QGZVFWFLSA-N 1 3 315.461 2.061 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](Cc1ccccc1)C2)N(C)C ZINC001072849379 790271628 /nfs/dbraw/zinc/27/16/28/790271628.db2.gz CEZYZPGGRVXPDU-QGZVFWFLSA-N 1 3 315.461 2.061 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@]1(C)CCC[N@H+](CC2CC2)C1)N(C)C ZINC001407286796 1165088274 /nfs/dbraw/zinc/08/82/74/1165088274.db2.gz AHWLRMUYORTOHI-AEFFLSMTSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@]1(C)CCC[N@@H+](CC2CC2)C1)N(C)C ZINC001407286796 1165088280 /nfs/dbraw/zinc/08/82/80/1165088280.db2.gz AHWLRMUYORTOHI-AEFFLSMTSA-N 1 3 309.498 2.201 20 0 DEADHO CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249798 782571646 /nfs/dbraw/zinc/57/16/46/782571646.db2.gz QJQYAUPUWKAVKB-UIGGZSMGSA-N 1 3 321.509 2.367 20 0 DEADHO CCCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001106798730 782943906 /nfs/dbraw/zinc/94/39/06/782943906.db2.gz SNMREFNAOGDOLU-IAGOWNOFSA-N 1 3 309.498 2.203 20 0 DEADHO CCC[N@@H+]1CC[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089490405 783156073 /nfs/dbraw/zinc/15/60/73/783156073.db2.gz AOOXUNXYDXSXRC-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CCC[N@H+]1CC[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089490405 783156076 /nfs/dbraw/zinc/15/60/76/783156076.db2.gz AOOXUNXYDXSXRC-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CC[NH2+]C[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001075366747 776743761 /nfs/dbraw/zinc/74/37/61/776743761.db2.gz IIQNLLIGHDXUEN-HZPDHXFCSA-N 1 3 317.477 2.456 20 0 DEADHO CC1CC(C[NH2+]CC2(CCNC(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001167232389 776785222 /nfs/dbraw/zinc/78/52/22/776785222.db2.gz AYLJKZSYJHGHNG-KLAILNCOSA-N 1 3 321.509 2.250 20 0 DEADHO CC[NH2+]CC1(CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001167233033 776787214 /nfs/dbraw/zinc/78/72/14/776787214.db2.gz YXOGCRXWEZMMSI-QGZVFWFLSA-N 1 3 313.461 2.095 20 0 DEADHO CC(C)C[NH2+]CC1(CCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001167240525 776792875 /nfs/dbraw/zinc/79/28/75/776792875.db2.gz LONDNRZPFDYFFK-UHFFFAOYSA-N 1 3 309.498 2.250 20 0 DEADHO CC(C)(C(=O)NCC1CC([NH2+]C/C=C\Cl)C1)N1CCCC1 ZINC001100563408 777254799 /nfs/dbraw/zinc/25/47/99/777254799.db2.gz GUIPFCURAOMAHR-WAYWQWQTSA-N 1 3 313.873 2.098 20 0 DEADHO CCN(CC)C(=O)NC1CC[NH+](CC(C)(C)CN(C)C)CC1 ZINC001207284978 777324750 /nfs/dbraw/zinc/32/47/50/777324750.db2.gz WZLCIXCTOQBCGV-UHFFFAOYSA-N 1 3 312.502 2.090 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC[C@@H](C)F)C1 ZINC001105067055 778322842 /nfs/dbraw/zinc/32/28/42/778322842.db2.gz LGMLGFIGUBFTHB-BZUAXINKSA-N 1 3 315.477 2.149 20 0 DEADHO CC[NH+](CC)CCC[C@H](C)N1CCN(c2ncc(C)cn2)CC1 ZINC001167835834 778692630 /nfs/dbraw/zinc/69/26/30/778692630.db2.gz UKJLTMBEOBYCCV-KRWDZBQOSA-N 1 3 319.497 2.418 20 0 DEADHO CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001073461565 790669400 /nfs/dbraw/zinc/66/94/00/790669400.db2.gz FXKWXAXUQDTPDK-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO CCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001073461565 790669401 /nfs/dbraw/zinc/66/94/01/790669401.db2.gz FXKWXAXUQDTPDK-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO COC(=O)C[C@@H]1CCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167995030 779214596 /nfs/dbraw/zinc/21/45/96/779214596.db2.gz UNOBHOAIZGCNFI-PMRDEQMMSA-N 1 3 306.450 2.419 20 0 DEADHO COC(=O)C[C@@H]1CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167995030 779214597 /nfs/dbraw/zinc/21/45/97/779214597.db2.gz UNOBHOAIZGCNFI-PMRDEQMMSA-N 1 3 306.450 2.419 20 0 DEADHO COC(=O)C[C@@H]1CCCN1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995030 779214605 /nfs/dbraw/zinc/21/46/05/779214605.db2.gz UNOBHOAIZGCNFI-PMRDEQMMSA-N 1 3 306.450 2.419 20 0 DEADHO COC(=O)C[C@@H]1CCCN1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995030 779214611 /nfs/dbraw/zinc/21/46/11/779214611.db2.gz UNOBHOAIZGCNFI-PMRDEQMMSA-N 1 3 306.450 2.419 20 0 DEADHO C(C1CC1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167995512 779217135 /nfs/dbraw/zinc/21/71/35/779217135.db2.gz IBZWXVQKOQTGME-DFNIBXOVSA-N 1 3 303.494 2.419 20 0 DEADHO C(C1CC1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167995512 779217140 /nfs/dbraw/zinc/21/71/40/779217140.db2.gz IBZWXVQKOQTGME-DFNIBXOVSA-N 1 3 303.494 2.419 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC3CCC3)C[C@H]21 ZINC001075784652 779232363 /nfs/dbraw/zinc/23/23/63/779232363.db2.gz BOSDKSZVWMDQER-RCCFBDPRSA-N 1 3 319.493 2.192 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CC3CCC3)C[C@H]21 ZINC001075784652 779232365 /nfs/dbraw/zinc/23/23/65/779232365.db2.gz BOSDKSZVWMDQER-RCCFBDPRSA-N 1 3 319.493 2.192 20 0 DEADHO CC(=O)NCCNC1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168005066 779267869 /nfs/dbraw/zinc/26/78/69/779267869.db2.gz FIWYRECBEZUDEO-HUUCEWRRSA-N 1 3 303.450 2.154 20 0 DEADHO C[C@H]1CC(NC[C@H]2COCCO2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168015179 779341804 /nfs/dbraw/zinc/34/18/04/779341804.db2.gz PJAUZTRDGQPCKX-BXWFABGCSA-N 1 3 318.461 2.433 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CCN1C/C=C/Cl ZINC001087626315 779384169 /nfs/dbraw/zinc/38/41/69/779384169.db2.gz ULFUGLYXABAVNS-OHZRHTANSA-N 1 3 313.873 2.192 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CCN1C/C=C/Cl ZINC001087626315 779384177 /nfs/dbraw/zinc/38/41/77/779384177.db2.gz ULFUGLYXABAVNS-OHZRHTANSA-N 1 3 313.873 2.192 20 0 DEADHO CC(=O)N1CC([NH2+]C2C[C@H](C)N(Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168029650 779491354 /nfs/dbraw/zinc/49/13/54/779491354.db2.gz UHEIFWVPRUQSNO-GJZGRUSLSA-N 1 3 315.461 2.248 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@@H]2C1 ZINC001087993143 779619221 /nfs/dbraw/zinc/61/92/21/779619221.db2.gz BONZMNQBILGCSM-FGTMMUONSA-N 1 3 319.493 2.073 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@@H]2C1 ZINC001087993143 779619228 /nfs/dbraw/zinc/61/92/28/779619228.db2.gz BONZMNQBILGCSM-FGTMMUONSA-N 1 3 319.493 2.073 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]2C1 ZINC001088095343 779697447 /nfs/dbraw/zinc/69/74/47/779697447.db2.gz IRXVEFCREXSSMQ-FGTMMUONSA-N 1 3 323.525 2.399 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]2C1 ZINC001088095343 779697449 /nfs/dbraw/zinc/69/74/49/779697449.db2.gz IRXVEFCREXSSMQ-FGTMMUONSA-N 1 3 323.525 2.399 20 0 DEADHO CC1CC(C[N@H+](C)C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC000985468569 779852984 /nfs/dbraw/zinc/85/29/84/779852984.db2.gz WVFGKTITDOYANL-UHFFFAOYSA-N 1 3 321.509 2.440 20 0 DEADHO CC1CC(C[N@@H+](C)C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC000985468569 779852989 /nfs/dbraw/zinc/85/29/89/779852989.db2.gz WVFGKTITDOYANL-UHFFFAOYSA-N 1 3 321.509 2.440 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC=C(C)C)[C@@H]1C ZINC001088605009 780575492 /nfs/dbraw/zinc/57/54/92/780575492.db2.gz CKXZLOKIGQFLGK-IXDOHACOSA-N 1 3 307.482 2.406 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC=C(C)C)[C@@H]1C ZINC001088605009 780575500 /nfs/dbraw/zinc/57/55/00/780575500.db2.gz CKXZLOKIGQFLGK-IXDOHACOSA-N 1 3 307.482 2.406 20 0 DEADHO CCCN1C[C@@H]2C[N@H+]([C@@H]3Cc4ccc(OC)cc4C3)C[C@@H]2C1 ZINC001168281966 780768540 /nfs/dbraw/zinc/76/85/40/780768540.db2.gz CIPIXRGFQAYNKT-FGTMMUONSA-N 1 3 300.446 2.436 20 0 DEADHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3Cc4ccc(OC)cc4C3)C[C@@H]2C1 ZINC001168281966 780768543 /nfs/dbraw/zinc/76/85/43/780768543.db2.gz CIPIXRGFQAYNKT-FGTMMUONSA-N 1 3 300.446 2.436 20 0 DEADHO C[NH+](C)C1CCC(N2CC(N3CCC(F)(F)CC3)C2)CC1 ZINC001168323677 780840242 /nfs/dbraw/zinc/84/02/42/780840242.db2.gz AJHYLTZDAJUCLY-UHFFFAOYSA-N 1 3 301.425 2.275 20 0 DEADHO CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001076322187 781217074 /nfs/dbraw/zinc/21/70/74/781217074.db2.gz KDBITRVFHWRFPG-YESZJQIVSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001076322187 781217077 /nfs/dbraw/zinc/21/70/77/781217077.db2.gz KDBITRVFHWRFPG-YESZJQIVSA-N 1 3 307.482 2.194 20 0 DEADHO CCOC(=O)c1[nH]ccc1CN1CCC2(C1)CC[NH+](C)CC2 ZINC001144340341 790866755 /nfs/dbraw/zinc/86/67/55/790866755.db2.gz FACQWSFMEWPOSS-UHFFFAOYSA-N 1 3 305.422 2.109 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@H](C)c1ccccc1F ZINC001127082236 781734044 /nfs/dbraw/zinc/73/40/44/781734044.db2.gz MYFVZPVUROUEIL-RHSMWYFYSA-N 1 3 321.440 2.465 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN[C@H](C)c1ccccc1F ZINC001127082236 781734052 /nfs/dbraw/zinc/73/40/52/781734052.db2.gz MYFVZPVUROUEIL-RHSMWYFYSA-N 1 3 321.440 2.465 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(CC)CC)[C@H](C)C1 ZINC001106910565 783417922 /nfs/dbraw/zinc/41/79/22/783417922.db2.gz DNWMFPAGVCUAJX-NVXWUHKLSA-N 1 3 311.514 2.449 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC(C)C ZINC001085629497 783903925 /nfs/dbraw/zinc/90/39/25/783903925.db2.gz VYGQEAJOMAYOPR-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC(C)C ZINC001085629497 783903926 /nfs/dbraw/zinc/90/39/26/783903926.db2.gz VYGQEAJOMAYOPR-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1CCC(C)C ZINC001085629497 783903929 /nfs/dbraw/zinc/90/39/29/783903929.db2.gz VYGQEAJOMAYOPR-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1CCC(C)C ZINC001085629497 783903931 /nfs/dbraw/zinc/90/39/31/783903931.db2.gz VYGQEAJOMAYOPR-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CCN1CC[C@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968327984 784290639 /nfs/dbraw/zinc/29/06/39/784290639.db2.gz VQTIKZWUSVUTIE-MAUKXSAKSA-N 1 3 317.477 2.251 20 0 DEADHO CN(CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CC1)C1CCC1 ZINC001074023969 791015325 /nfs/dbraw/zinc/01/53/25/791015325.db2.gz QDBPALVIGRTRSC-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO CN(CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC1)C1CCC1 ZINC001074023969 791015339 /nfs/dbraw/zinc/01/53/39/791015339.db2.gz QDBPALVIGRTRSC-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1C[C@@H]([NH2+]CC2CC(C)C2)C1 ZINC001086364361 784626132 /nfs/dbraw/zinc/62/61/32/784626132.db2.gz AUXNEZVKEORXTG-CNFALQKSSA-N 1 3 321.509 2.390 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1)C1CC1 ZINC000968912522 784647512 /nfs/dbraw/zinc/64/75/12/784647512.db2.gz JPEFQTVAQFCIKN-SJORKVTESA-N 1 3 319.493 2.097 20 0 DEADHO Cc1ncn(-c2cnccc2/C=C/N(C)C)c1CSCC[NH3+] ZINC001168798235 784920427 /nfs/dbraw/zinc/92/04/27/784920427.db2.gz YMAMJIKNPNXFII-VMPITWQZSA-N 1 3 317.462 2.300 20 0 DEADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168851741 784939398 /nfs/dbraw/zinc/93/93/98/784939398.db2.gz AHQJGTLJGAJCQJ-LVQVYYBASA-N 1 3 323.481 2.268 20 0 DEADHO C[C@@H]1C[C@@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168851741 784939399 /nfs/dbraw/zinc/93/93/99/784939399.db2.gz AHQJGTLJGAJCQJ-LVQVYYBASA-N 1 3 323.481 2.268 20 0 DEADHO CC[N@H+]1C[C@H]2CN([C@@H]3C[C@@H](C)N(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC001168879327 784955543 /nfs/dbraw/zinc/95/55/43/784955543.db2.gz HAMRCJOONMCZNI-LVQVYYBASA-N 1 3 323.481 2.268 20 0 DEADHO CC[N@@H+]1C[C@H]2CN([C@@H]3C[C@@H](C)N(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC001168879327 784955549 /nfs/dbraw/zinc/95/55/49/784955549.db2.gz HAMRCJOONMCZNI-LVQVYYBASA-N 1 3 323.481 2.268 20 0 DEADHO CCN(CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C)C(=O)OC(C)(C)C ZINC001169102129 785035121 /nfs/dbraw/zinc/03/51/21/785035121.db2.gz XGMAPZVHLPTTKV-QKDCVEJESA-N 1 3 311.470 2.458 20 0 DEADHO CCN(CC)C(=O)C[C@@H](C)[NH2+]C1CCN(CC2CCC2)CC1 ZINC001169447681 785188392 /nfs/dbraw/zinc/18/83/92/785188392.db2.gz WWFXYIVIGGFORL-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CCN(CC)C(=O)C[C@@H](C)NC1CC[NH+](CC2CCC2)CC1 ZINC001169447681 785188396 /nfs/dbraw/zinc/18/83/96/785188396.db2.gz WWFXYIVIGGFORL-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001014405376 786573256 /nfs/dbraw/zinc/57/32/56/786573256.db2.gz GALRJSSMYPZJGQ-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001014405376 786573262 /nfs/dbraw/zinc/57/32/62/786573262.db2.gz GALRJSSMYPZJGQ-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001014412098 786576026 /nfs/dbraw/zinc/57/60/26/786576026.db2.gz GBGQZRVCXOTYKI-JKSUJKDBSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001014412098 786576031 /nfs/dbraw/zinc/57/60/31/786576031.db2.gz GBGQZRVCXOTYKI-JKSUJKDBSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H](F)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001014422211 786579755 /nfs/dbraw/zinc/57/97/55/786579755.db2.gz GWRLRBBMAQVFMA-CABCVRRESA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H](F)CC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001014422211 786579763 /nfs/dbraw/zinc/57/97/63/786579763.db2.gz GWRLRBBMAQVFMA-CABCVRRESA-N 1 3 313.461 2.190 20 0 DEADHO CC[C@H](C)CN1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001113642610 786740787 /nfs/dbraw/zinc/74/07/87/786740787.db2.gz ADBNQQBMCGUHGX-KRWDZBQOSA-N 1 3 309.498 2.443 20 0 DEADHO C[C@H](NCCNC(=O)[C@@H](C1CC1)[NH+](C)C)c1ccccc1Cl ZINC001129455704 787213621 /nfs/dbraw/zinc/21/36/21/787213621.db2.gz VTTILBIGQFIWHU-BLLLJJGKSA-N 1 3 323.868 2.447 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+]Cc1cc2ccccc2s1)N(C)C ZINC001130202988 787318758 /nfs/dbraw/zinc/31/87/58/787318758.db2.gz DGVJJASZZWGTBE-OAHLLOKOSA-N 1 3 319.474 2.447 20 0 DEADHO CC[N@H+](C)C(C)(C)C(=O)NCCN[C@@H](C)c1ccccc1F ZINC001130421693 787386039 /nfs/dbraw/zinc/38/60/39/787386039.db2.gz GCXWDPCDTUKZEW-ZDUSSCGKSA-N 1 3 309.429 2.323 20 0 DEADHO CC[N@@H+](C)C(C)(C)C(=O)NCCN[C@@H](C)c1ccccc1F ZINC001130421693 787386048 /nfs/dbraw/zinc/38/60/48/787386048.db2.gz GCXWDPCDTUKZEW-ZDUSSCGKSA-N 1 3 309.429 2.323 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CCCc1ccc(C)cc1 ZINC001130425234 787386165 /nfs/dbraw/zinc/38/61/65/787386165.db2.gz PBIPNDKHUZCYNE-UHFFFAOYSA-N 1 3 319.493 2.364 20 0 DEADHO CC[NH+](CC)Cc1cc(N[C@H](C)[C@H]2CNCCO2)ccc1OC ZINC001170575530 787668903 /nfs/dbraw/zinc/66/89/03/787668903.db2.gz QDPZQSZGCLWKDP-RDTXWAMCSA-N 1 3 321.465 2.326 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)N(Cc2ccccc2)C1 ZINC001132411425 788064342 /nfs/dbraw/zinc/06/43/42/788064342.db2.gz ZIJGLVJZOGYOBQ-FUHWJXTLSA-N 1 3 317.477 2.498 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)N(Cc2ccccc2)C1 ZINC001132411425 788064350 /nfs/dbraw/zinc/06/43/50/788064350.db2.gz ZIJGLVJZOGYOBQ-FUHWJXTLSA-N 1 3 317.477 2.498 20 0 DEADHO NCc1cccc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)n1 ZINC001170630957 788181744 /nfs/dbraw/zinc/18/17/44/788181744.db2.gz RUGHNWYSLOXJQO-UHFFFAOYSA-N 1 3 300.450 2.274 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1C ZINC001133120962 788287725 /nfs/dbraw/zinc/28/77/25/788287725.db2.gz CRFXEZAZNKOYOZ-IRXDYDNUSA-N 1 3 323.525 2.449 20 0 DEADHO CC(C)CCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C ZINC001133135122 788292221 /nfs/dbraw/zinc/29/22/21/788292221.db2.gz LWRYZHNSKUELRQ-HOTGVXAUSA-N 1 3 320.481 2.463 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCC(C)C)C1 ZINC001133182109 788308345 /nfs/dbraw/zinc/30/83/45/788308345.db2.gz OEGKCYPMRGDCBC-DLBZAZTESA-N 1 3 311.514 2.449 20 0 DEADHO Cc1cc(C)cc(C[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001133415751 788407969 /nfs/dbraw/zinc/40/79/69/788407969.db2.gz MUIOTRFFWHTXNY-QGZVFWFLSA-N 1 3 305.466 2.095 20 0 DEADHO CC(C)[C@H](C(=O)NCC[NH2+][C@@H](C)c1cccc(F)c1)N(C)C ZINC001133434234 788428747 /nfs/dbraw/zinc/42/87/47/788428747.db2.gz MXTHFPRLXGHLDL-XJKSGUPXSA-N 1 3 309.429 2.179 20 0 DEADHO CC(C)[C@H](C(=O)NCC[NH2+]CC[C@H]1CCCC1(F)F)N(C)C ZINC001133433912 788429402 /nfs/dbraw/zinc/42/94/02/788429402.db2.gz CYMVDPLXJGSOKA-ZIAGYGMSSA-N 1 3 319.440 2.104 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]CC1CCC2(CC2)CC1 ZINC001133823292 788620094 /nfs/dbraw/zinc/62/00/94/788620094.db2.gz AWFUVRQFLZHTSM-HNNXBMFYSA-N 1 3 307.482 2.147 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001133824115 788630247 /nfs/dbraw/zinc/63/02/47/788630247.db2.gz XYULAGQPBYNZJB-OAHLLOKOSA-N 1 3 315.461 2.254 20 0 DEADHO Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)CN2CC[C@H](C)C2)c1 ZINC001133851140 788633383 /nfs/dbraw/zinc/63/33/83/788633383.db2.gz XSUSXHCNEKKDOQ-DOTOQJQBSA-N 1 3 317.477 2.412 20 0 DEADHO CCCc1ccc(C[NH2+]CCNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001133845533 788638484 /nfs/dbraw/zinc/63/84/84/788638484.db2.gz IDNSMQGYAVUBQZ-MRXNPFEDSA-N 1 3 317.477 2.187 20 0 DEADHO C[C@H](C[C@H](C)NC(=O)C(C)(C)N1CCCCC1)[NH2+]CCF ZINC001134369883 788900578 /nfs/dbraw/zinc/90/05/78/788900578.db2.gz UFYDNBCTQWWDGU-KGLIPLIRSA-N 1 3 301.450 2.093 20 0 DEADHO C[C@H](C[C@H](C)NC(=O)C(C)(C)N1CCCCC1)[NH2+]CCCF ZINC001134369914 788900936 /nfs/dbraw/zinc/90/09/36/788900936.db2.gz UTWGNONKJHWOAZ-CABCVRRESA-N 1 3 315.477 2.483 20 0 DEADHO C[C@H](C[C@@H](C)[NH2+]C/C=C/Cl)NC(=O)CN(C)C1CCC1 ZINC001134608320 789004392 /nfs/dbraw/zinc/00/43/92/789004392.db2.gz UOFADANMPZHORC-IURQOMBCSA-N 1 3 301.862 2.096 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+]CCc1ccccc1 ZINC001134762785 789068333 /nfs/dbraw/zinc/06/83/33/789068333.db2.gz GOYPFFUKLBKPSN-GOSISDBHSA-N 1 3 317.477 2.198 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+]CCCCCF ZINC001134766846 789069077 /nfs/dbraw/zinc/06/90/77/789069077.db2.gz NOBWRNJGHNEXMF-OAHLLOKOSA-N 1 3 301.450 2.095 20 0 DEADHO C[C@H](C[C@@H](C)NC(=O)CC[NH+](C)C)NC/C(Cl)=C/Cl ZINC001135371670 789304214 /nfs/dbraw/zinc/30/42/14/789304214.db2.gz HKHBYONVFSFBND-HPPFBBELSA-N 1 3 310.269 2.130 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC(F)(F)F ZINC001135979122 789581993 /nfs/dbraw/zinc/58/19/93/789581993.db2.gz CMTFJYOJYSWEDS-NEPJUHHUSA-N 1 3 311.392 2.154 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1 ZINC001135977504 789586704 /nfs/dbraw/zinc/58/67/04/789586704.db2.gz UKTPHWYXQPYODH-JKSUJKDBSA-N 1 3 305.466 2.401 20 0 DEADHO CC(C)CC[N@@H+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001072812200 790256504 /nfs/dbraw/zinc/25/65/04/790256504.db2.gz WIAXEPWWNXACIJ-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)CC[N@H+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001072812200 790256507 /nfs/dbraw/zinc/25/65/07/790256507.db2.gz WIAXEPWWNXACIJ-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO COCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146599349 791319168 /nfs/dbraw/zinc/31/91/68/791319168.db2.gz BEEOIQOOIPYAFX-HZPDHXFCSA-N 1 3 315.502 2.016 20 0 DEADHO COCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146599347 791320128 /nfs/dbraw/zinc/32/01/28/791320128.db2.gz BEEOIQOOIPYAFX-CVEARBPZSA-N 1 3 315.502 2.016 20 0 DEADHO CCC[NH2+][C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001074880550 791365388 /nfs/dbraw/zinc/36/53/88/791365388.db2.gz HGFMCHMNFNGLKY-GRDNDAEWSA-N 1 3 313.461 2.188 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)[C@@H]1C)N(C)C ZINC001074885434 791368929 /nfs/dbraw/zinc/36/89/29/791368929.db2.gz DENQBTXTPPQBQQ-XIRDDKMYSA-N 1 3 321.509 2.486 20 0 DEADHO CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001075281322 791553972 /nfs/dbraw/zinc/55/39/72/791553972.db2.gz KDOFXFCSDBJAFM-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CC/C=C\CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001147724610 791605227 /nfs/dbraw/zinc/60/52/27/791605227.db2.gz KTIHOUMKJNONEG-KEGWNNHHSA-N 1 3 319.493 2.217 20 0 DEADHO CC/C=C\CC[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001147724610 791605233 /nfs/dbraw/zinc/60/52/33/791605233.db2.gz KTIHOUMKJNONEG-KEGWNNHHSA-N 1 3 319.493 2.217 20 0 DEADHO CC/C=C/CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001147724609 791605827 /nfs/dbraw/zinc/60/58/27/791605827.db2.gz KTIHOUMKJNONEG-FUTAKVPZSA-N 1 3 319.493 2.217 20 0 DEADHO CC/C=C/CC[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001147724609 791605834 /nfs/dbraw/zinc/60/58/34/791605834.db2.gz KTIHOUMKJNONEG-FUTAKVPZSA-N 1 3 319.493 2.217 20 0 DEADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+](CC1=CCCCC1)C2 ZINC001148462684 791751436 /nfs/dbraw/zinc/75/14/36/791751436.db2.gz LJLUJPMHMSACBG-UHFFFAOYSA-N 1 3 319.493 2.363 20 0 DEADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+](CC1=CCCCC1)C2 ZINC001148462684 791751441 /nfs/dbraw/zinc/75/14/41/791751441.db2.gz LJLUJPMHMSACBG-UHFFFAOYSA-N 1 3 319.493 2.363 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+]Cc1ccc(C(F)F)cc1 ZINC001148638096 791786121 /nfs/dbraw/zinc/78/61/21/791786121.db2.gz BYMJSUVZYAQTIS-UHFFFAOYSA-N 1 3 313.392 2.172 20 0 DEADHO CC[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001086941717 791857082 /nfs/dbraw/zinc/85/70/82/791857082.db2.gz ALPVNEKCUJZOLY-HOTGVXAUSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@H](C(=O)N1C[C@H]2C[N@H+](CC=C(C)C)C[C@@]2(C)C1)N(C)C ZINC001091782891 791887695 /nfs/dbraw/zinc/88/76/95/791887695.db2.gz KURGWJODVQFSML-NUJGCVRESA-N 1 3 307.482 2.073 20 0 DEADHO CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CC=C(C)C)C[C@@]2(C)C1)N(C)C ZINC001091782891 791887698 /nfs/dbraw/zinc/88/76/98/791887698.db2.gz KURGWJODVQFSML-NUJGCVRESA-N 1 3 307.482 2.073 20 0 DEADHO CC(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001091985956 791913686 /nfs/dbraw/zinc/91/36/86/791913686.db2.gz PBLRDIAUUWHETR-LMMKCTJWSA-N 1 3 323.525 2.399 20 0 DEADHO CC(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001091985956 791913689 /nfs/dbraw/zinc/91/36/89/791913689.db2.gz PBLRDIAUUWHETR-LMMKCTJWSA-N 1 3 323.525 2.399 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC1)N1CCCC1 ZINC001111467361 792117793 /nfs/dbraw/zinc/11/77/93/792117793.db2.gz GUILCWNXFZIOKK-ZJPYXAASSA-N 1 3 319.493 2.238 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC1)N1CCCC1 ZINC001111467361 792117799 /nfs/dbraw/zinc/11/77/99/792117799.db2.gz GUILCWNXFZIOKK-ZJPYXAASSA-N 1 3 319.493 2.238 20 0 DEADHO CC(C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001099474176 792218107 /nfs/dbraw/zinc/21/81/07/792218107.db2.gz OYEKNOPKALCQIN-LPHOPBHVSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CC1CCCC1 ZINC001093824317 792607718 /nfs/dbraw/zinc/60/77/18/792607718.db2.gz PYJMVPNKNBPMIC-ZTFGCOKTSA-N 1 3 321.509 2.201 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC2CCCC2)[C@H](C)C1)N(C)C ZINC001093857764 792622585 /nfs/dbraw/zinc/62/25/85/792622585.db2.gz WVCUMHQLSCIQJT-DJIMGWMZSA-N 1 3 309.498 2.201 20 0 DEADHO CN(C)[C@@H](C(=O)NCC1CC([NH2+]CC2CC(C)(C)C2)C1)C1CC1 ZINC001100408111 792633807 /nfs/dbraw/zinc/63/38/07/792633807.db2.gz VLIPFRCYJAFCEQ-QWFMPGPPSA-N 1 3 321.509 2.247 20 0 DEADHO C[C@@H](F)CC[NH2+]C1CC(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001100562105 792721329 /nfs/dbraw/zinc/72/13/29/792721329.db2.gz AIGZKPZPLLXAND-WLYUNCDWSA-N 1 3 313.461 2.093 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC2CC([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001100678325 792784500 /nfs/dbraw/zinc/78/45/00/792784500.db2.gz HKPKZOHTEIUWRM-HPUBIQBYSA-N 1 3 321.509 2.249 20 0 DEADHO CCCN(C)CC(=O)NCC1CC([NH2+]Cc2ccccc2C)C1 ZINC001100901540 792908295 /nfs/dbraw/zinc/90/82/95/792908295.db2.gz BNQPPJNHHDQZSO-UHFFFAOYSA-N 1 3 317.477 2.321 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@]2(C)C1 ZINC001101277607 793096491 /nfs/dbraw/zinc/09/64/91/793096491.db2.gz PCTKLSLLGVSFQY-GHWLZIDUSA-N 1 3 321.509 2.463 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@]2(C)C1 ZINC001101277607 793096498 /nfs/dbraw/zinc/09/64/98/793096498.db2.gz PCTKLSLLGVSFQY-GHWLZIDUSA-N 1 3 321.509 2.463 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1cccnc1)N(C)C ZINC001171501633 793115300 /nfs/dbraw/zinc/11/53/00/793115300.db2.gz UTFGQMLHZYIUET-DOTOQJQBSA-N 1 3 320.481 2.186 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]C/C=C\Cl)N(C)C ZINC001171509444 793117981 /nfs/dbraw/zinc/11/79/81/793117981.db2.gz QISKMEMDOYZNEE-VNAHCXKQSA-N 1 3 303.878 2.344 20 0 DEADHO CC(C)[N@@H+]1C[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368998 793135433 /nfs/dbraw/zinc/13/54/33/793135433.db2.gz YEOFFTYSAXMWJI-QAPCUYQASA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)[N@H+]1C[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368998 793135436 /nfs/dbraw/zinc/13/54/36/793135436.db2.gz YEOFFTYSAXMWJI-QAPCUYQASA-N 1 3 309.498 2.153 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1cc(F)ccc1C ZINC001171758337 793197420 /nfs/dbraw/zinc/19/74/20/793197420.db2.gz YEVWQHAIIAWBKL-UHFFFAOYSA-N 1 3 309.429 2.072 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]CCCc1ccc(C)cc1 ZINC001171763194 793199761 /nfs/dbraw/zinc/19/97/61/793199761.db2.gz VBWDUSCUXBEXJX-UHFFFAOYSA-N 1 3 319.493 2.365 20 0 DEADHO CCN1CC[C@H](NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)CC1=O ZINC001172045184 793306516 /nfs/dbraw/zinc/30/65/16/793306516.db2.gz ZTJLVWPNBMHULJ-AEFFLSMTSA-N 1 3 319.493 2.408 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[C@@H](Oc3ncc(F)cn3)C1)C2 ZINC001172133970 793324711 /nfs/dbraw/zinc/32/47/11/793324711.db2.gz UXFQHPSEPCGDCJ-FXUDXRNXSA-N 1 3 320.412 2.084 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[C@@H](Oc3ncc(F)cn3)C1)C2 ZINC001172133970 793324722 /nfs/dbraw/zinc/32/47/22/793324722.db2.gz UXFQHPSEPCGDCJ-FXUDXRNXSA-N 1 3 320.412 2.084 20 0 DEADHO COc1ccc([C@@H](CO)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC001172106989 793330671 /nfs/dbraw/zinc/33/06/71/793330671.db2.gz RHBZBIZQLDXIGT-XLMAVXFVSA-N 1 3 304.434 2.334 20 0 DEADHO COCCCN1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001172107188 793332867 /nfs/dbraw/zinc/33/28/67/793332867.db2.gz ULDDMZGWWMLXSL-BCDXTJNWSA-N 1 3 309.498 2.092 20 0 DEADHO CCC(CC)C[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048585 793486954 /nfs/dbraw/zinc/48/69/54/793486954.db2.gz HKOBUEUGEHFLFV-OLMNPRSZSA-N 1 3 323.525 2.447 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048585 793486957 /nfs/dbraw/zinc/48/69/57/793486957.db2.gz HKOBUEUGEHFLFV-OLMNPRSZSA-N 1 3 323.525 2.447 20 0 DEADHO CC(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)CC1)C2 ZINC001095026132 793592013 /nfs/dbraw/zinc/59/20/13/793592013.db2.gz ZHPLKXLCTBQVLW-KSZLIROESA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)C[N@H+]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@H](C)C1 ZINC001102377059 793595780 /nfs/dbraw/zinc/59/57/80/793595780.db2.gz LZKMVGMXQSJZJZ-HZPDHXFCSA-N 1 3 311.514 2.304 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@H](C)C1 ZINC001102377059 793595786 /nfs/dbraw/zinc/59/57/86/793595786.db2.gz LZKMVGMXQSJZJZ-HZPDHXFCSA-N 1 3 311.514 2.304 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](CCCCCF)C[C@H]1C ZINC001102600586 793669592 /nfs/dbraw/zinc/66/95/92/793669592.db2.gz LLOCGTIZNYFOSG-HZPDHXFCSA-N 1 3 315.477 2.151 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](CCCCCF)C[C@H]1C ZINC001102600586 793669598 /nfs/dbraw/zinc/66/95/98/793669598.db2.gz LLOCGTIZNYFOSG-HZPDHXFCSA-N 1 3 315.477 2.151 20 0 DEADHO CC(C)(C)[NH2+]CCC(=O)N1CCN(CC2CCCCC2)CC1 ZINC001415674156 1166379332 /nfs/dbraw/zinc/37/93/32/1166379332.db2.gz PLQMIVJRGADGJW-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@H]1C[N@H+](CC2CCC2)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103083976 793934393 /nfs/dbraw/zinc/93/43/93/793934393.db2.gz RIYIBSFQKKSIJZ-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103083976 793934398 /nfs/dbraw/zinc/93/43/98/793934398.db2.gz RIYIBSFQKKSIJZ-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H](CCCC[NH2+]CC1CCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001175263759 794173742 /nfs/dbraw/zinc/17/37/42/794173742.db2.gz QZHDPLKVBDWDDS-HOTGVXAUSA-N 1 3 309.498 2.393 20 0 DEADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](CC2CC(C)C2)C[C@H]1C ZINC001103664486 794181531 /nfs/dbraw/zinc/18/15/31/794181531.db2.gz DSZDOQBBIQAQIY-GPQLOAJWSA-N 1 3 323.525 2.449 20 0 DEADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](CC2CC(C)C2)C[C@H]1C ZINC001103664486 794181534 /nfs/dbraw/zinc/18/15/34/794181534.db2.gz DSZDOQBBIQAQIY-GPQLOAJWSA-N 1 3 323.525 2.449 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C ZINC001103677213 794187632 /nfs/dbraw/zinc/18/76/32/794187632.db2.gz QBMMXYPNJQNRKW-CZUORRHYSA-N 1 3 318.465 2.135 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C ZINC001103677213 794187639 /nfs/dbraw/zinc/18/76/39/794187639.db2.gz QBMMXYPNJQNRKW-CZUORRHYSA-N 1 3 318.465 2.135 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H](C)CCCCNCc1cc(C)no1 ZINC001176023876 794334463 /nfs/dbraw/zinc/33/44/63/794334463.db2.gz KYUMGPRJVKIQJJ-CQSZACIVSA-N 1 3 324.469 2.089 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CCCCNCc1cc(C)no1 ZINC001176023876 794334469 /nfs/dbraw/zinc/33/44/69/794334469.db2.gz KYUMGPRJVKIQJJ-CQSZACIVSA-N 1 3 324.469 2.089 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ocnc1C ZINC001176284272 794389834 /nfs/dbraw/zinc/38/98/34/794389834.db2.gz FFIAISWPYKRLJP-AWEZNQCLSA-N 1 3 324.469 2.089 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1conc1C ZINC001176286809 794391330 /nfs/dbraw/zinc/39/13/30/794391330.db2.gz YDRKWSXZSNWCQR-CQSZACIVSA-N 1 3 324.469 2.089 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCF ZINC001176760519 794498659 /nfs/dbraw/zinc/49/86/59/794498659.db2.gz ZSZWIADMYXSUGJ-CABCVRRESA-N 1 3 301.450 2.095 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCF ZINC001176760170 794499013 /nfs/dbraw/zinc/49/90/13/794499013.db2.gz QXRKNNOORULTSG-HOTGVXAUSA-N 1 3 315.477 2.485 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[NH2+]Cc1cccc(Cl)c1 ZINC001176972386 794546105 /nfs/dbraw/zinc/54/61/05/794546105.db2.gz YVRXEIVNAXUFFG-UHFFFAOYSA-N 1 3 311.857 2.276 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CC1CC(C)(C)C1 ZINC001176992344 794551086 /nfs/dbraw/zinc/55/10/86/794551086.db2.gz MTXHBGOAXNMCKB-INIZCTEOSA-N 1 3 309.498 2.393 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCCC3)C[C@H]21 ZINC001115159084 794692853 /nfs/dbraw/zinc/69/28/53/794692853.db2.gz CTWHFXIAISMMCB-DZFIZOCASA-N 1 3 321.509 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCCC3)C[C@H]21 ZINC001115159084 794692859 /nfs/dbraw/zinc/69/28/59/794692859.db2.gz CTWHFXIAISMMCB-DZFIZOCASA-N 1 3 321.509 2.345 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCC2CCCC2)[C@@H]1C ZINC001179982592 795213526 /nfs/dbraw/zinc/21/35/26/795213526.db2.gz AQUIANFKIGMMGY-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)NCCCCCC[NH2+]CCCOCC ZINC001180124526 795245561 /nfs/dbraw/zinc/24/55/61/795245561.db2.gz YYJAEUAVUIJVSM-UHFFFAOYSA-N 1 3 315.502 2.021 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCc2cccs2)[C@@H]1C ZINC001180226610 795258645 /nfs/dbraw/zinc/25/86/45/795258645.db2.gz CVHIXXRSJZJELA-HOCLYGCPSA-N 1 3 323.506 2.210 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C(=O)[C@@H]4CCCCC[C@H]43)C[C@H]2C1 ZINC001120255880 795430183 /nfs/dbraw/zinc/43/01/83/795430183.db2.gz OCCADYXCZJFAPW-DUQPFJRNSA-N 1 3 319.493 2.397 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CC2CC2)C1 ZINC001120440972 795461096 /nfs/dbraw/zinc/46/10/96/795461096.db2.gz VXCDUAZGLNYUMG-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+]2CC2CC2)C1 ZINC001120440972 795461100 /nfs/dbraw/zinc/46/11/00/795461100.db2.gz VXCDUAZGLNYUMG-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001181652666 795514018 /nfs/dbraw/zinc/51/40/18/795514018.db2.gz ODGJEFNFNBLXGL-SJORKVTESA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@]1(C)C[NH2+]CCC1CC1 ZINC001181736676 795536875 /nfs/dbraw/zinc/53/68/75/795536875.db2.gz SLXSPGDYQLRNRA-DNVCBOLYSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CCC1CC1)C2)N(C)C ZINC001121267287 795610323 /nfs/dbraw/zinc/61/03/23/795610323.db2.gz JLOXZRLILBVWCW-RFSHTEQGSA-N 1 3 321.509 2.390 20 0 DEADHO CC[C@H](F)C[NH2+]C1CC2(CC(NC(=O)[C@H](CC)N(C)C)C2)C1 ZINC001121798347 795689171 /nfs/dbraw/zinc/68/91/71/795689171.db2.gz KANNWRSYIDPDGR-PHUJGXCVSA-N 1 3 313.461 2.092 20 0 DEADHO CC[C@H](F)CN[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001182591244 795712484 /nfs/dbraw/zinc/71/24/84/795712484.db2.gz XBAHUMDYFWSRPH-LSDHHAIUSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)[NH2+]C[C@]1(C)CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001182630216 795714756 /nfs/dbraw/zinc/71/47/56/795714756.db2.gz SZUOXEWFLIUUDM-CRAIPNDOSA-N 1 3 311.514 2.447 20 0 DEADHO CCCN(C)CC(=O)NC1CC2(C1)CC([NH2+]CC1CC(C)C1)C2 ZINC001122106513 795726241 /nfs/dbraw/zinc/72/62/41/795726241.db2.gz KJEBHUROIBMAIV-UHFFFAOYSA-N 1 3 321.509 2.391 20 0 DEADHO CC[NH2+]C[C@]1(C)CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001183510318 795883705 /nfs/dbraw/zinc/88/37/05/795883705.db2.gz VTZHHFOAERGCFP-DNVCBOLYSA-N 1 3 317.477 2.456 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC/C=C\Cl)C1 ZINC001183867668 795955074 /nfs/dbraw/zinc/95/50/74/795955074.db2.gz HTZWITVIQPJPOT-JBLNNTITSA-N 1 3 313.873 2.050 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC/C=C\Cl)C1 ZINC001183867668 795955083 /nfs/dbraw/zinc/95/50/83/795955083.db2.gz HTZWITVIQPJPOT-JBLNNTITSA-N 1 3 313.873 2.050 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001184565408 796084268 /nfs/dbraw/zinc/08/42/68/796084268.db2.gz JHUWYTDOIZZUHZ-HOTGVXAUSA-N 1 3 309.498 2.201 20 0 DEADHO CCCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001184576642 796086602 /nfs/dbraw/zinc/08/66/02/796086602.db2.gz JGIQIJRJFOSECT-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H](C[NH2+]CC(C)C)[C@H](C)C1 ZINC001184712182 796108169 /nfs/dbraw/zinc/10/81/69/796108169.db2.gz KFJJXNYHDXLSBO-CVEARBPZSA-N 1 3 311.514 2.447 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@H](C[NH2+]CC2CC2)[C@H](C)C1 ZINC001184714161 796109295 /nfs/dbraw/zinc/10/92/95/796109295.db2.gz WLBLYKKTROVCTD-GDBMZVCRSA-N 1 3 309.498 2.201 20 0 DEADHO Nc1ncc(CN2CCC3(C[NH+](Cc4ccccc4)C3)CC2)cn1 ZINC001138168170 796174997 /nfs/dbraw/zinc/17/49/97/796174997.db2.gz ZAAHSLFJMUAWOY-UHFFFAOYSA-N 1 3 323.444 2.157 20 0 DEADHO CCC[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001185380725 796245466 /nfs/dbraw/zinc/24/54/66/796245466.db2.gz MFYPROVQLGWPPY-IRXDYDNUSA-N 1 3 309.498 2.203 20 0 DEADHO CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001185651328 796299287 /nfs/dbraw/zinc/29/92/87/796299287.db2.gz YEEPRWOKQKDFEW-MBZYTVFJSA-N 1 3 307.482 2.408 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001186452486 796403094 /nfs/dbraw/zinc/40/30/94/796403094.db2.gz QETXRTPGZODTRI-QGZVFWFLSA-N 1 3 303.450 2.027 20 0 DEADHO CCN(CC)CC(=O)N1CCC([NH2+]Cc2ccccc2C)CC1 ZINC001203005621 796482735 /nfs/dbraw/zinc/48/27/35/796482735.db2.gz ROVGFITVYJKLBD-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO CCN(CC)CC(=O)N1CCC([NH2+]CCc2cccs2)CC1 ZINC001203010460 796487677 /nfs/dbraw/zinc/48/76/77/796487677.db2.gz MYOKDEGDIOTMJJ-UHFFFAOYSA-N 1 3 323.506 2.213 20 0 DEADHO Cc1cc(CN2CCC([NH+]3CCN(C)CC3)CC2)c(C)cc1O ZINC001140200099 796489889 /nfs/dbraw/zinc/48/98/89/796489889.db2.gz NZYGNYGJJXKUIX-UHFFFAOYSA-N 1 3 317.477 2.221 20 0 DEADHO Cc1ccc(F)cc1CN1CC[C@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001140592010 796542747 /nfs/dbraw/zinc/54/27/47/796542747.db2.gz SHRNGYSOEHUXAR-ZWKOTPCHSA-N 1 3 305.441 2.344 20 0 DEADHO Cc1ccc(F)cc1CN1CC[C@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001140592010 796542751 /nfs/dbraw/zinc/54/27/51/796542751.db2.gz SHRNGYSOEHUXAR-ZWKOTPCHSA-N 1 3 305.441 2.344 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)CCCCCF)C1 ZINC001191030751 797127323 /nfs/dbraw/zinc/12/73/23/797127323.db2.gz VLBGCBCTNQPXIU-HNNXBMFYSA-N 1 3 315.477 2.389 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)CCCCCF)C1 ZINC001191030751 797127324 /nfs/dbraw/zinc/12/73/24/797127324.db2.gz VLBGCBCTNQPXIU-HNNXBMFYSA-N 1 3 315.477 2.389 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]CC1CCC(C)CC1 ZINC001152459041 797190619 /nfs/dbraw/zinc/19/06/19/797190619.db2.gz XLZLAQWLLIJZAE-JCYILVPMSA-N 1 3 309.498 2.393 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]CCCc1ccccc1 ZINC001152459034 797190689 /nfs/dbraw/zinc/19/06/89/797190689.db2.gz XCQSFHHARPBYBY-SFHVURJKSA-N 1 3 317.477 2.199 20 0 DEADHO COc1cc(CN2CCC[C@@](F)(C[NH3+])CC2)cc(O)c1OC ZINC001205571590 797267301 /nfs/dbraw/zinc/26/73/01/797267301.db2.gz VKZDYKYLKYEZIJ-INIZCTEOSA-N 1 3 312.385 2.062 20 0 DEADHO CCCCC[N@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193026193 797492543 /nfs/dbraw/zinc/49/25/43/797492543.db2.gz ISDWSCWHDQIXEC-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CCCCC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193026193 797492545 /nfs/dbraw/zinc/49/25/45/797492545.db2.gz ISDWSCWHDQIXEC-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO Cc1nc(NC[C@H]2CCC[NH2+]C[C@H]2C)cc(N2CCCC2)n1 ZINC001155020849 797661732 /nfs/dbraw/zinc/66/17/32/797661732.db2.gz PMECWFVAFBTADO-UKRRQHHQSA-N 1 3 303.454 2.433 20 0 DEADHO Cc1ccc2c(c1)[C@@H](Nc1cc(CN)ncn1)CC21CC[NH2+]CC1 ZINC001155436484 797757398 /nfs/dbraw/zinc/75/73/98/797757398.db2.gz KTGOWINXJJUHPW-KRWDZBQOSA-N 1 3 323.444 2.422 20 0 DEADHO c1cc(N[C@H]2CN3CCC2CC3)nc(OCC[NH+]2CCCC2)c1 ZINC001155667572 797822586 /nfs/dbraw/zinc/82/25/86/797822586.db2.gz JKIISAWAXDYOCO-INIZCTEOSA-N 1 3 316.449 2.062 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)N1CCC[N@H+](CCC2CC2)CC1 ZINC001196010460 797993468 /nfs/dbraw/zinc/99/34/68/797993468.db2.gz OCWRVQXULDYYRZ-INIZCTEOSA-N 1 3 313.461 2.001 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)N1CCC[N@@H+](CCC2CC2)CC1 ZINC001196010460 797993473 /nfs/dbraw/zinc/99/34/73/797993473.db2.gz OCWRVQXULDYYRZ-INIZCTEOSA-N 1 3 313.461 2.001 20 0 DEADHO CC[N@H+](CCc1ccccc1)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157113387 798146119 /nfs/dbraw/zinc/14/61/19/798146119.db2.gz JAFBHVZIQKEGEQ-QGZVFWFLSA-N 1 3 319.493 2.396 20 0 DEADHO CC[N@@H+](CCc1ccccc1)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157113387 798146122 /nfs/dbraw/zinc/14/61/22/798146122.db2.gz JAFBHVZIQKEGEQ-QGZVFWFLSA-N 1 3 319.493 2.396 20 0 DEADHO Cc1cc(C(=O)N(CCCC[NH3+])C(=N)N)cc(C)c1OC(C)C ZINC001197238274 798164947 /nfs/dbraw/zinc/16/49/47/798164947.db2.gz FPBVSJWSVKJZOR-UHFFFAOYSA-N 1 3 320.437 2.165 20 0 DEADHO C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]1CCC[C@H](c2ccccc2)N1 ZINC001157842865 798291606 /nfs/dbraw/zinc/29/16/06/798291606.db2.gz NFWVBFJETPUKNG-SPUZQDLCSA-N 1 3 315.461 2.456 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]CC[C@@H](C)F)CC1 ZINC001203902590 798323583 /nfs/dbraw/zinc/32/35/83/798323583.db2.gz GWUNUMUNCHOWHB-ZBFHGGJFSA-N 1 3 313.461 2.190 20 0 DEADHO CCN[C@H](CNC(=O)C(C)(C)[N@H+](C)CC)c1ccccc1OC ZINC001198774865 798394163 /nfs/dbraw/zinc/39/41/63/798394163.db2.gz BXSYTOJGIHQVIN-OAHLLOKOSA-N 1 3 321.465 2.192 20 0 DEADHO CCN[C@H](CNC(=O)C(C)(C)[N@@H+](C)CC)c1ccccc1OC ZINC001198774865 798394169 /nfs/dbraw/zinc/39/41/69/798394169.db2.gz BXSYTOJGIHQVIN-OAHLLOKOSA-N 1 3 321.465 2.192 20 0 DEADHO CCC[NH2+][C@@H](CNC(=O)[C@@H](CC)N(C)C)c1ccccc1OC ZINC001198776646 798394331 /nfs/dbraw/zinc/39/43/31/798394331.db2.gz RVNGHWKNKHPJEU-JKSUJKDBSA-N 1 3 321.465 2.192 20 0 DEADHO N[C@H](CCC[NH3+])NC(F)(F)c1cnc(Cl)c(C2CC2)c1 ZINC001159788154 798608415 /nfs/dbraw/zinc/60/84/15/798608415.db2.gz IBNLNHBATRGTGI-NSHDSACASA-N 1 3 304.772 2.275 20 0 DEADHO CN(C)C1(C(=O)NCCC[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCC1 ZINC001159853724 798618732 /nfs/dbraw/zinc/61/87/32/798618732.db2.gz JQHORTVXRKTICC-OAGGEKHMSA-N 1 3 307.482 2.003 20 0 DEADHO N[C@H](C(=O)N1CCCC[C@H]1C[NH+]1CCCC1)C1CCCCC1 ZINC001160460887 798691061 /nfs/dbraw/zinc/69/10/61/798691061.db2.gz GGIOASIHLKSCCE-IRXDYDNUSA-N 1 3 307.482 2.371 20 0 DEADHO CC(C)CCC[NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001201038302 798709053 /nfs/dbraw/zinc/70/90/53/798709053.db2.gz XUPSWIUBDXSNQC-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]CC[C@H](C)F)CC1 ZINC001201327159 798741202 /nfs/dbraw/zinc/74/12/02/798741202.db2.gz IJOIFOZNYHAGMK-ZDUSSCGKSA-N 1 3 301.450 2.045 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+][C@H](C)c1ccccc1C)N(C)C ZINC001160883651 798755405 /nfs/dbraw/zinc/75/54/05/798755405.db2.gz RLHZFKQYNPACAV-NVXWUHKLSA-N 1 3 305.466 2.492 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+][C@H]1CCc2c1cccc2F)N(C)C ZINC001160889511 798756251 /nfs/dbraw/zinc/75/62/51/798756251.db2.gz LLNZVZKCLVGPBD-DLBZAZTESA-N 1 3 321.440 2.249 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+][C@@H](C)c1cccc(OC)c1)N(C)C ZINC001160890024 798756345 /nfs/dbraw/zinc/75/63/45/798756345.db2.gz SUFWHALIRSMUNM-WMLDXEAASA-N 1 3 321.465 2.192 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCCC1=CC[N@H+](CC2CCC2)CC1 ZINC001161205859 798809303 /nfs/dbraw/zinc/80/93/03/798809303.db2.gz HLUSMKSJEVSZLO-INIZCTEOSA-N 1 3 319.493 2.409 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCCC1=CC[N@@H+](CC2CCC2)CC1 ZINC001161205859 798809309 /nfs/dbraw/zinc/80/93/09/798809309.db2.gz HLUSMKSJEVSZLO-INIZCTEOSA-N 1 3 319.493 2.409 20 0 DEADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[C@H](c4ccccc4)N3)C[C@H]12 ZINC001161413315 798849801 /nfs/dbraw/zinc/84/98/01/798849801.db2.gz PDBFUHPTKQQIIB-ILOCAZANSA-N 1 3 313.445 2.066 20 0 DEADHO CN(C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)[C@@H]1CCc2ccccc21 ZINC001161543762 798881243 /nfs/dbraw/zinc/88/12/43/798881243.db2.gz SEZYABLONVMBSB-DLBZAZTESA-N 1 3 313.445 2.007 20 0 DEADHO CN(C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)[C@@H]1CCc2ccccc21 ZINC001161543762 798881246 /nfs/dbraw/zinc/88/12/46/798881246.db2.gz SEZYABLONVMBSB-DLBZAZTESA-N 1 3 313.445 2.007 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]CCCCCF)CC1 ZINC001202495308 798979340 /nfs/dbraw/zinc/97/93/40/798979340.db2.gz DCPIUHBXGAGJFK-HNNXBMFYSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)C[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114407274 799090779 /nfs/dbraw/zinc/09/07/79/799090779.db2.gz VMHDLQFLFZIPGE-MWDXBVQZSA-N 1 3 321.509 2.199 20 0 DEADHO CC(C)C[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114407274 799090785 /nfs/dbraw/zinc/09/07/85/799090785.db2.gz VMHDLQFLFZIPGE-MWDXBVQZSA-N 1 3 321.509 2.199 20 0 DEADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCC3CCC3)C[C@H]21)C1CCC1 ZINC001114414162 799094559 /nfs/dbraw/zinc/09/45/59/799094559.db2.gz NORTUAKSVLUEPI-DZFIZOCASA-N 1 3 319.493 2.097 20 0 DEADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]21)C1CCC1 ZINC001114414162 799094568 /nfs/dbraw/zinc/09/45/68/799094568.db2.gz NORTUAKSVLUEPI-DZFIZOCASA-N 1 3 319.493 2.097 20 0 DEADHO CCC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001114438473 799110800 /nfs/dbraw/zinc/11/08/00/799110800.db2.gz CBGLLIQQWJYQPZ-UFDOWDEISA-N 1 3 321.509 2.365 20 0 DEADHO CCC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001114438473 799110804 /nfs/dbraw/zinc/11/08/04/799110804.db2.gz CBGLLIQQWJYQPZ-UFDOWDEISA-N 1 3 321.509 2.365 20 0 DEADHO NCc1cc(-n2cc(CC[NH3+])c3c2cccc3Cl)ncn1 ZINC001162654109 799139220 /nfs/dbraw/zinc/13/92/20/799139220.db2.gz PAAIFZMPKLPTSF-UHFFFAOYSA-N 1 3 301.781 2.034 20 0 DEADHO CCN(CC)Cc1cccc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)c1F ZINC001163348211 799317823 /nfs/dbraw/zinc/31/78/23/799317823.db2.gz WMAKJIRERAIMFB-VYDXJSESSA-N 1 3 307.413 2.209 20 0 DEADHO c1cnc(C2CC[NH2+]CC2)c(CNc2ccc3c(n2)CNCC3)c1 ZINC001163910271 799455501 /nfs/dbraw/zinc/45/55/01/799455501.db2.gz VZCLEHBZKWOTDI-UHFFFAOYSA-N 1 3 323.444 2.201 20 0 DEADHO CC(C)Oc1ccc(NCC2(N(C)C)CC[NH+](C)CC2)cn1 ZINC001164211793 799539254 /nfs/dbraw/zinc/53/92/54/799539254.db2.gz UFVYYHJHFNLWGR-UHFFFAOYSA-N 1 3 306.454 2.307 20 0 DEADHO Clc1cc(N2CCCCC23CC[NH2+]CC3)c2c(n1)CNCC2 ZINC001165339011 799708972 /nfs/dbraw/zinc/70/89/72/799708972.db2.gz OAWTVDRFOQWTMM-UHFFFAOYSA-N 1 3 320.868 2.493 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001166004306 799811900 /nfs/dbraw/zinc/81/19/00/799811900.db2.gz KCUVKRWNUCWNGL-QGZVFWFLSA-N 1 3 305.466 2.177 20 0 DEADHO CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001110995217 799816895 /nfs/dbraw/zinc/81/68/95/799816895.db2.gz RANJDNKQYHKZTH-WCXIOVBPSA-N 1 3 309.498 2.340 20 0 DEADHO CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001110995217 799816900 /nfs/dbraw/zinc/81/69/00/799816900.db2.gz RANJDNKQYHKZTH-WCXIOVBPSA-N 1 3 309.498 2.340 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001166626103 799905295 /nfs/dbraw/zinc/90/52/95/799905295.db2.gz APPPBERKEXQOFO-KBPBESRZSA-N 1 3 317.424 2.002 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166667691 799915937 /nfs/dbraw/zinc/91/59/37/799915937.db2.gz HARFOYZMBFXDIG-AWEZNQCLSA-N 1 3 321.440 2.072 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)CN2CC[C@@H](C)C2)c(C)c1 ZINC001166678120 799917818 /nfs/dbraw/zinc/91/78/18/799917818.db2.gz SJACEGWKHBAQSE-MRXNPFEDSA-N 1 3 317.477 2.241 20 0 DEADHO Cc1ccccc1C[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166764406 799945098 /nfs/dbraw/zinc/94/50/98/799945098.db2.gz BBBCHBIKPGSIJZ-UHFFFAOYSA-N 1 3 317.477 2.323 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)c1cccc(C)c1)N(C)C ZINC001166851465 799964346 /nfs/dbraw/zinc/96/43/46/799964346.db2.gz BCMAOIUJYOXLKJ-RDJZCZTQSA-N 1 3 305.466 2.492 20 0 DEADHO CC(C)[C@H](C(=O)NCCC1(C[NH2+]C/C=C/Cl)CC1)N(C)C ZINC001167044663 800014278 /nfs/dbraw/zinc/01/42/78/800014278.db2.gz MZOZOJIKFJXWFE-VZUFXWRPSA-N 1 3 315.889 2.201 20 0 DEADHO CC(C)[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C12CCC2 ZINC001203425541 800045658 /nfs/dbraw/zinc/04/56/58/800045658.db2.gz CLEGZSDQEMFUQC-LSDHHAIUSA-N 1 3 309.498 2.390 20 0 DEADHO CCN(CC)CC(=O)N[C@H]1C[C@@H]([NH2+]CCC(C)C)C12CCC2 ZINC001203522352 800069399 /nfs/dbraw/zinc/06/93/99/800069399.db2.gz NLUJIJWNHICVTF-CVEARBPZSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC(C)C)C12CCC2 ZINC001203657925 800101192 /nfs/dbraw/zinc/10/11/92/800101192.db2.gz AHUCWBXXYIIOJC-CVEARBPZSA-N 1 3 318.465 2.324 20 0 DEADHO C[N@@H+]1C[C@@H]2CN(C[C@H]3CCCN(C(=O)C(C)(C)C)C3)C[C@]2(C)C1 ZINC000933734455 800175342 /nfs/dbraw/zinc/17/53/42/800175342.db2.gz SVCXAPFEJSATPT-MDZRGWNJSA-N 1 3 321.509 2.155 20 0 DEADHO C[N@H+]1C[C@@H]2CN(C[C@H]3CCCN(C(=O)C(C)(C)C)C3)C[C@]2(C)C1 ZINC000933734455 800175343 /nfs/dbraw/zinc/17/53/43/800175343.db2.gz SVCXAPFEJSATPT-MDZRGWNJSA-N 1 3 321.509 2.155 20 0 DEADHO COCC[N@@H+]1CCO[C@@H]2CN(Cc3ccc(C)cc3)CC[C@@H]2C1 ZINC001204170957 800183491 /nfs/dbraw/zinc/18/34/91/800183491.db2.gz FXTFOWAXOLVRDR-RTBURBONSA-N 1 3 318.461 2.164 20 0 DEADHO COCC[N@H+]1CCO[C@@H]2CN(Cc3ccc(C)cc3)CC[C@@H]2C1 ZINC001204170957 800183495 /nfs/dbraw/zinc/18/34/95/800183495.db2.gz FXTFOWAXOLVRDR-RTBURBONSA-N 1 3 318.461 2.164 20 0 DEADHO C[C@@H]1CN(Cc2ccc(OCCC[NH+](C)C)cc2)CCN1C ZINC001204269604 800197367 /nfs/dbraw/zinc/19/73/67/800197367.db2.gz GUVGEPHFZBHKII-MRXNPFEDSA-N 1 3 305.466 2.153 20 0 DEADHO Cc1cc(F)cc(Cl)c1CN1CCC[C@](O)(C[NH3+])CC1 ZINC001205254735 800331788 /nfs/dbraw/zinc/33/17/88/800331788.db2.gz ARTPWKNRHDWXNR-OAHLLOKOSA-N 1 3 300.805 2.463 20 0 DEADHO C[C@@H]1CCN(Cc2ccnn2[C@H]2CCCCO2)CC[C@H]1C[NH3+] ZINC001205617807 800388288 /nfs/dbraw/zinc/38/82/88/800388288.db2.gz NZNNPDCFPCUDDI-HLLBOEOZSA-N 1 3 306.454 2.389 20 0 DEADHO CC(C)(O)CCCC1=CC[C@H](C[N@@H+]2CC[C@@H](N)[C@H](O)C2)CC1 ZINC001205946107 800448067 /nfs/dbraw/zinc/44/80/67/800448067.db2.gz INUBCPYIOUBZNE-GVDBMIGSSA-N 1 3 310.482 2.048 20 0 DEADHO CC(C)(O)CCCC1=CC[C@H](C[N@H+]2CC[C@@H](N)[C@H](O)C2)CC1 ZINC001205946107 800448071 /nfs/dbraw/zinc/44/80/71/800448071.db2.gz INUBCPYIOUBZNE-GVDBMIGSSA-N 1 3 310.482 2.048 20 0 DEADHO COC(=O)c1cccc2[nH]cc(C[N@@H+]3CC[C@@H](N)[C@@H](F)CC3)c21 ZINC001206173429 800484124 /nfs/dbraw/zinc/48/41/24/800484124.db2.gz HIGSHTMFZVEIDV-UONOGXRCSA-N 1 3 319.380 2.216 20 0 DEADHO COC(=O)c1cccc2[nH]cc(C[N@H+]3CC[C@@H](N)[C@@H](F)CC3)c21 ZINC001206173429 800484125 /nfs/dbraw/zinc/48/41/25/800484125.db2.gz HIGSHTMFZVEIDV-UONOGXRCSA-N 1 3 319.380 2.216 20 0 DEADHO CCOC(=O)c1ccc(CCC[N@@H+]2CCNC[C@@H](C)C2)cc1 ZINC001206269260 800499356 /nfs/dbraw/zinc/49/93/56/800499356.db2.gz IVZNMBSAWKGACH-OAHLLOKOSA-N 1 3 304.434 2.337 20 0 DEADHO CCOC(=O)c1ccc(CCC[N@H+]2CCNC[C@@H](C)C2)cc1 ZINC001206269260 800499358 /nfs/dbraw/zinc/49/93/58/800499358.db2.gz IVZNMBSAWKGACH-OAHLLOKOSA-N 1 3 304.434 2.337 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[NH2+]CCC2CC2)CC1 ZINC001206275190 800500281 /nfs/dbraw/zinc/50/02/81/800500281.db2.gz POQOOOBTJWKNHX-OAHLLOKOSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)CC[NH2+]CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001206273892 800500440 /nfs/dbraw/zinc/50/04/40/800500440.db2.gz CPCUJIRUTUSHOX-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CCOC(=O)c1ccnc(CN2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206318289 800508045 /nfs/dbraw/zinc/50/80/45/800508045.db2.gz OZPNWEOAEWBOFM-QGZVFWFLSA-N 1 3 305.422 2.209 20 0 DEADHO C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001206458186 800536241 /nfs/dbraw/zinc/53/62/41/800536241.db2.gz XESJZIDHQODOLW-UWWQBHOKSA-N 1 3 304.478 2.414 20 0 DEADHO C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001206458186 800536246 /nfs/dbraw/zinc/53/62/46/800536246.db2.gz XESJZIDHQODOLW-UWWQBHOKSA-N 1 3 304.478 2.414 20 0 DEADHO C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001206513028 800546232 /nfs/dbraw/zinc/54/62/32/800546232.db2.gz XESJZIDHQODOLW-ZVZYQTTQSA-N 1 3 304.478 2.414 20 0 DEADHO C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001206513028 800546235 /nfs/dbraw/zinc/54/62/35/800546235.db2.gz XESJZIDHQODOLW-ZVZYQTTQSA-N 1 3 304.478 2.414 20 0 DEADHO CCN1C[C@@H]2C[N@@H+](C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)C[C@@H]2C1 ZINC001207217305 800712161 /nfs/dbraw/zinc/71/21/61/800712161.db2.gz XIJDCCRRYANYJO-HRCADAONSA-N 1 3 323.481 2.127 20 0 DEADHO CCN1C[C@@H]2C[N@H+](C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)C[C@@H]2C1 ZINC001207217305 800712164 /nfs/dbraw/zinc/71/21/64/800712164.db2.gz XIJDCCRRYANYJO-HRCADAONSA-N 1 3 323.481 2.127 20 0 DEADHO CN(C)C[C@@H](NC(=O)CC[NH2+]C(C)(C)C)c1ccc(F)cc1 ZINC000935985065 800819985 /nfs/dbraw/zinc/81/99/85/800819985.db2.gz OFENQZLYSMQYRQ-OAHLLOKOSA-N 1 3 309.429 2.323 20 0 DEADHO CCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001208114720 800915081 /nfs/dbraw/zinc/91/50/81/800915081.db2.gz SXIJLFUOXDZKGT-KBAYOESNSA-N 1 3 321.509 2.488 20 0 DEADHO CCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001208114720 800915087 /nfs/dbraw/zinc/91/50/87/800915087.db2.gz SXIJLFUOXDZKGT-KBAYOESNSA-N 1 3 321.509 2.488 20 0 DEADHO CC(=O)N1CC[C@H](N(CC2(C[NH+](C)C)CCCC2)C(C)C)C1 ZINC001208187458 800925379 /nfs/dbraw/zinc/92/53/79/800925379.db2.gz LISFMXTVQPEIGQ-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO COC(=O)CC[N@H+](CCCN(C)C)CCc1cccc(F)c1 ZINC001208198159 800928882 /nfs/dbraw/zinc/92/88/82/800928882.db2.gz ZNQBSTAOZKBRMT-UHFFFAOYSA-N 1 3 310.413 2.185 20 0 DEADHO COC(=O)CC[N@@H+](CCCN(C)C)CCc1cccc(F)c1 ZINC001208198159 800928887 /nfs/dbraw/zinc/92/88/87/800928887.db2.gz ZNQBSTAOZKBRMT-UHFFFAOYSA-N 1 3 310.413 2.185 20 0 DEADHO CC[C@H](CCC(=O)OC)CN1CCN(c2cc[nH+]cc2)CC1 ZINC001208781266 801067787 /nfs/dbraw/zinc/06/77/87/801067787.db2.gz XNBNZELZWMVOIG-OAHLLOKOSA-N 1 3 305.422 2.183 20 0 DEADHO COC(=O)[C@H]1CCCN(C2CC[NH+](C[C@H]3CCC=CO3)CC2)C1 ZINC001208883981 801085989 /nfs/dbraw/zinc/08/59/89/801085989.db2.gz BDLSYPONVFPCOE-DOTOQJQBSA-N 1 3 322.449 2.029 20 0 DEADHO COC(=O)[C@H]1CCCN(C2CC[NH+](C[C@@H]3CCC=CO3)CC2)C1 ZINC001208883990 801086617 /nfs/dbraw/zinc/08/66/17/801086617.db2.gz BDLSYPONVFPCOE-RDJZCZTQSA-N 1 3 322.449 2.029 20 0 DEADHO CCOC(=O)[C@@H]1CCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208948199 801101077 /nfs/dbraw/zinc/10/10/77/801101077.db2.gz FMSWUTHVASARQE-ZWKOTPCHSA-N 1 3 316.445 2.394 20 0 DEADHO CCOC(=O)[C@@H]1CCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208948199 801101079 /nfs/dbraw/zinc/10/10/79/801101079.db2.gz FMSWUTHVASARQE-ZWKOTPCHSA-N 1 3 316.445 2.394 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CCC(C)(C)C)C2)C1 ZINC001209642496 801242923 /nfs/dbraw/zinc/24/29/23/801242923.db2.gz OCOZLANMMFGRAO-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)CC[NH2+][C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209661244 801249458 /nfs/dbraw/zinc/24/94/58/801249458.db2.gz VXEWLJNJUZQYCP-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC[C@H](C)F ZINC001229933095 801338735 /nfs/dbraw/zinc/33/87/35/801338735.db2.gz GAUTXZUHVSYSGS-IACUBPJLSA-N 1 3 310.417 2.026 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CCF)C1 ZINC001210183903 801348764 /nfs/dbraw/zinc/34/87/64/801348764.db2.gz TXQSSHUIHNWIKI-OAHLLOKOSA-N 1 3 301.450 2.049 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC001210217326 801353286 /nfs/dbraw/zinc/35/32/86/801353286.db2.gz GWAVWOKSHWFVIE-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO O=C(CCCC[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1NCCF ZINC001230335129 801389641 /nfs/dbraw/zinc/38/96/41/801389641.db2.gz LPENIRBPPNLGKY-HZPDHXFCSA-N 1 3 313.461 2.239 20 0 DEADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCCC1CCC1 ZINC001214855824 801766763 /nfs/dbraw/zinc/76/67/63/801766763.db2.gz ORJWYMUPXKLGEC-OLMNPRSZSA-N 1 3 321.509 2.343 20 0 DEADHO CC[N@H+]1C[C@H]2CN(Cc3cc(F)cc(CN(C)C)c3)C[C@H]2C1 ZINC001232151516 801800987 /nfs/dbraw/zinc/80/09/87/801800987.db2.gz OONLGNHEKPDMEK-CALCHBBNSA-N 1 3 305.441 2.271 20 0 DEADHO CC[N@@H+]1C[C@H]2CN(Cc3cc(F)cc(CN(C)C)c3)C[C@H]2C1 ZINC001232151516 801800997 /nfs/dbraw/zinc/80/09/97/801800997.db2.gz OONLGNHEKPDMEK-CALCHBBNSA-N 1 3 305.441 2.271 20 0 DEADHO C[C@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)c1ccccc1F ZINC001215458918 801864175 /nfs/dbraw/zinc/86/41/75/801864175.db2.gz PRDSMBQIRMWZCK-JKIFEVAISA-N 1 3 321.440 2.275 20 0 DEADHO Cc1cc(Oc2ccccc2)ncc1NC(=O)[C@@H](N)CCC[NH3+] ZINC001218682638 802227580 /nfs/dbraw/zinc/22/75/80/802227580.db2.gz PWWGLGRQZGVJSX-AWEZNQCLSA-N 1 3 314.389 2.187 20 0 DEADHO CC(C)(C[NH3+])c1ccc(NC(=O)C[C@H]2CCNC[C@@H]2F)cc1 ZINC001218898268 802255573 /nfs/dbraw/zinc/25/55/73/802255573.db2.gz MDDLJMUVQQFULP-DOMZBBRYSA-N 1 3 307.413 2.199 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccc2c(c1)NCCC2 ZINC001218903892 802256424 /nfs/dbraw/zinc/25/64/24/802256424.db2.gz KBBULBYHDCYOKC-INIZCTEOSA-N 1 3 318.465 2.479 20 0 DEADHO COc1cc(C[N@H+](C)CCCN(C)C)ccc1-n1ccnc1 ZINC001234031876 802272815 /nfs/dbraw/zinc/27/28/15/802272815.db2.gz BWJXOGVLJNEAOW-UHFFFAOYSA-N 1 3 302.422 2.264 20 0 DEADHO COc1cc(C[N@@H+](C)CCCN(C)C)ccc1-n1ccnc1 ZINC001234031876 802272818 /nfs/dbraw/zinc/27/28/18/802272818.db2.gz BWJXOGVLJNEAOW-UHFFFAOYSA-N 1 3 302.422 2.264 20 0 DEADHO C[C@@H]1CC(C)(C)c2cccc(NC(=O)[C@@H]3C[NH2+]CC34CNC4)c21 ZINC001219038576 802276265 /nfs/dbraw/zinc/27/62/65/802276265.db2.gz YWPKELIBXONWGM-OCCSQVGLSA-N 1 3 313.445 2.219 20 0 DEADHO CC(C)[NH2+]CC(=O)NCCN1CCC(Cc2ccccc2)CC1 ZINC001219668857 802364914 /nfs/dbraw/zinc/36/49/14/802364914.db2.gz CEZBYNYCTDBVER-UHFFFAOYSA-N 1 3 317.477 2.055 20 0 DEADHO C[NH2+]CCCC(=O)NCCN1CCC(Cc2ccccc2)CC1 ZINC001219669104 802364930 /nfs/dbraw/zinc/36/49/30/802364930.db2.gz LMDCZAZIGYSYBN-UHFFFAOYSA-N 1 3 317.477 2.057 20 0 DEADHO Cc1nc(C)c(CN2CCC(COCC[NH+]3CCCC3)CC2)[nH]1 ZINC001234602126 802426382 /nfs/dbraw/zinc/42/63/82/802426382.db2.gz YJTJWOWVTNLSOJ-UHFFFAOYSA-N 1 3 320.481 2.351 20 0 DEADHO N[C@@H](CCCC[NH3+])C(=O)N[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1 ZINC001220723447 802489340 /nfs/dbraw/zinc/48/93/40/802489340.db2.gz AEWZWENNNXYNMO-FLXSYLCISA-N 1 3 315.461 2.141 20 0 DEADHO N[C@H](CC(=O)N[C@@H]1CCC[NH2+]C1)c1cccc(Cl)c1Cl ZINC001220887290 802509116 /nfs/dbraw/zinc/50/91/16/802509116.db2.gz ZHBAXGMKHZEVGJ-BXKDBHETSA-N 1 3 316.232 2.252 20 0 DEADHO CCCC(C[NH3+])(CCC)NC(=O)c1cc2c(s1)CNCC2 ZINC001221375911 802562567 /nfs/dbraw/zinc/56/25/67/802562567.db2.gz ZCKDQZQSWFHPFG-UHFFFAOYSA-N 1 3 309.479 2.421 20 0 DEADHO C[NH+](C)CCCC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001221773880 802613340 /nfs/dbraw/zinc/61/33/40/802613340.db2.gz ILHLMXFGILIFBJ-QZTJIDSGSA-N 1 3 315.461 2.061 20 0 DEADHO Cc1c(Cl)ccc(CN2CCNC3(CC[NH2+]CC3)C2)c1C ZINC001222104033 802643380 /nfs/dbraw/zinc/64/33/80/802643380.db2.gz ADEPGROTGWVECB-UHFFFAOYSA-N 1 3 307.869 2.484 20 0 DEADHO CN(C)[C@@H](C(=O)NCC1CC[NH+](CC2CCCC2)CC1)C1CC1 ZINC001223464764 802791870 /nfs/dbraw/zinc/79/18/70/802791870.db2.gz BKQUFZFXCGXKDR-GOSISDBHSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1CC[NH+](CC[C@@H](C)F)CC1)N(C)C ZINC001223533810 802798431 /nfs/dbraw/zinc/79/84/31/802798431.db2.gz QGYLZVPRTKJBTF-ZBFHGGJFSA-N 1 3 315.477 2.149 20 0 DEADHO CC[C@@H](C(=O)NCC1CC[NH+](CCC(F)(F)F)CC1)N(C)C ZINC001224583061 802884126 /nfs/dbraw/zinc/88/41/26/802884126.db2.gz JXFFUGBABROZGT-ZDUSSCGKSA-N 1 3 323.403 2.107 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)N(C)C ZINC001226801101 803162617 /nfs/dbraw/zinc/16/26/17/803162617.db2.gz RWCGUEVTHQQKKG-BRWVUGGUSA-N 1 3 307.482 2.310 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\Cl)N(C)C ZINC001227038589 803191841 /nfs/dbraw/zinc/19/18/41/803191841.db2.gz HQTYRVLNPUSXFF-HRBYNBMTSA-N 1 3 301.862 2.096 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/Cl ZINC001227150362 803208384 /nfs/dbraw/zinc/20/83/84/803208384.db2.gz OZIBPBWBKWHQGM-DVFZLIDBSA-N 1 3 315.889 2.486 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001228263082 803336782 /nfs/dbraw/zinc/33/67/82/803336782.db2.gz ZIOQFWZYAKITLO-HUUCEWRRSA-N 1 3 324.494 2.002 20 0 DEADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]CCC(F)(F)F)C1)CC(C)(C)C ZINC001418065615 1167391025 /nfs/dbraw/zinc/39/10/25/1167391025.db2.gz XHIXHUMKCDTMTP-HAQNSBGRSA-N 1 3 323.403 2.154 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(CCc2cccs2)C1 ZINC001370045193 1149365519 /nfs/dbraw/zinc/36/55/19/1149365519.db2.gz NLOHAGKIFVJYQK-OAHLLOKOSA-N 1 3 323.506 2.213 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CCc2cccs2)C1 ZINC001370045193 1149365522 /nfs/dbraw/zinc/36/55/22/1149365522.db2.gz NLOHAGKIFVJYQK-OAHLLOKOSA-N 1 3 323.506 2.213 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@H+](C)CC1CCC2(CC2)CC1 ZINC001418526485 1167765804 /nfs/dbraw/zinc/76/58/04/1167765804.db2.gz FRZPLGIAYYDNQA-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@@H+](C)CC1CCC2(CC2)CC1 ZINC001418526485 1167765817 /nfs/dbraw/zinc/76/58/17/1167765817.db2.gz FRZPLGIAYYDNQA-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)N1CCC([C@@H](C)[NH2+]C/C=C\Cl)CC1)N(C)C ZINC001418843544 1168003888 /nfs/dbraw/zinc/00/38/88/1168003888.db2.gz JAYPWDSFGFPKSK-LGQYFOJISA-N 1 3 315.889 2.296 20 0 DEADHO CC[C@H](C(=O)NC[C@H]([NH2+]Cc1cccc(F)c1)C1CC1)N(C)C ZINC001370259126 1149438047 /nfs/dbraw/zinc/43/80/47/1149438047.db2.gz BOWRGURPRORUML-DLBZAZTESA-N 1 3 321.440 2.150 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001419632004 1168713409 /nfs/dbraw/zinc/71/34/09/1168713409.db2.gz OONZIFBBLDCRJR-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001419632004 1168713431 /nfs/dbraw/zinc/71/34/31/1168713431.db2.gz OONZIFBBLDCRJR-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001420364495 1169404175 /nfs/dbraw/zinc/40/41/75/1169404175.db2.gz GATXBEBOICDFGT-OAHLLOKOSA-N 1 3 309.498 2.393 20 0 DEADHO CC(=O)NCCC[N@@H+]1CCCC[C@H]1[C@@H](CN)Cc1ccccc1 ZINC001575011835 1069329820 /nfs/dbraw/zinc/32/98/20/1069329820.db2.gz HLURCAYHFKRMAR-MOPGFXCFSA-N 1 3 317.477 2.185 20 0 DEADHO CC(=O)NCCC[N@H+]1CCCC[C@H]1[C@@H](CN)Cc1ccccc1 ZINC001575011835 1069329826 /nfs/dbraw/zinc/32/98/26/1069329826.db2.gz HLURCAYHFKRMAR-MOPGFXCFSA-N 1 3 317.477 2.185 20 0 DEADHO CC(=O)NCCCN1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC001575011835 1069329842 /nfs/dbraw/zinc/32/98/42/1069329842.db2.gz HLURCAYHFKRMAR-MOPGFXCFSA-N 1 3 317.477 2.185 20 0 DEADHO CC(C)(C)CC[C@@H](N)C[N@@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC001575130208 1069374545 /nfs/dbraw/zinc/37/45/45/1069374545.db2.gz GYJCOEUTOFDMLM-APWZRJJASA-N 1 3 317.477 2.269 20 0 DEADHO CC(C)(C)CC[C@@H](N)C[N@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC001575130208 1069374546 /nfs/dbraw/zinc/37/45/46/1069374546.db2.gz GYJCOEUTOFDMLM-APWZRJJASA-N 1 3 317.477 2.269 20 0 DEADHO CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001425497522 1174340714 /nfs/dbraw/zinc/34/07/14/1174340714.db2.gz REDRJHHAMSZWTG-YOEHRIQHSA-N 1 3 313.461 2.045 20 0 DEADHO CCCC[C@H](CC)COC[C@H](O)C[NH2+][C@@H]1CCCCNC1 ZINC001245997697 1140843919 /nfs/dbraw/zinc/84/39/19/1140843919.db2.gz XHCQBUQKQHGUEE-GVDBMIGSSA-N 1 3 300.487 2.312 20 0 DEADHO CC[C@H](C(=O)NC1CC(C[NH2+]CCc2ccccc2)C1)N(C)C ZINC001328877257 1148844312 /nfs/dbraw/zinc/84/43/12/1148844312.db2.gz YCOHHZJEHIUTJC-DAWZGUTISA-N 1 3 317.477 2.054 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001452658661 1057123955 /nfs/dbraw/zinc/12/39/55/1057123955.db2.gz NXVKTJDGILDYJE-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001452658661 1057123958 /nfs/dbraw/zinc/12/39/58/1057123958.db2.gz NXVKTJDGILDYJE-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCCC(C)(C)C ZINC001468952734 1059881326 /nfs/dbraw/zinc/88/13/26/1059881326.db2.gz HOXZSPWDKYSNCQ-HNNXBMFYSA-N 1 3 314.518 2.384 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCCC(C)(C)C ZINC001468952734 1059881356 /nfs/dbraw/zinc/88/13/56/1059881356.db2.gz HOXZSPWDKYSNCQ-HNNXBMFYSA-N 1 3 314.518 2.384 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CCC2CC2)CCC1 ZINC001502029487 1059884218 /nfs/dbraw/zinc/88/42/18/1059884218.db2.gz ZMJPWJVWXPHTET-GASCZTMLSA-N 1 3 307.482 2.288 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+](CC)C2)C1 ZINC001502405023 1060113728 /nfs/dbraw/zinc/11/37/28/1060113728.db2.gz QRWSPPHTWWONOK-SJORKVTESA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+](CC)C2)C1 ZINC001502405023 1060113734 /nfs/dbraw/zinc/11/37/34/1060113734.db2.gz QRWSPPHTWWONOK-SJORKVTESA-N 1 3 309.498 2.299 20 0 DEADHO CN1CCN(C(=O)c2cccc(CC[NH+](C)C)c2)CCC1(C)C ZINC001470651274 1060124608 /nfs/dbraw/zinc/12/46/08/1060124608.db2.gz XLAJWRYLMWRDCR-UHFFFAOYSA-N 1 3 317.477 2.347 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001502761468 1060281494 /nfs/dbraw/zinc/28/14/94/1060281494.db2.gz ASJWMOHQNOVNRB-WMLDXEAASA-N 1 3 321.440 2.102 20 0 DEADHO CCCC[N@H+](CC1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001474412670 1060866100 /nfs/dbraw/zinc/86/61/00/1060866100.db2.gz BLNLXTQJRAOFKE-MRXNPFEDSA-N 1 3 316.511 2.008 20 0 DEADHO CCCC[N@@H+](CC1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001474412670 1060866112 /nfs/dbraw/zinc/86/61/12/1060866112.db2.gz BLNLXTQJRAOFKE-MRXNPFEDSA-N 1 3 316.511 2.008 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+][C@H]2COC3(CCC3)C2)CC1 ZINC001474681596 1060915492 /nfs/dbraw/zinc/91/54/92/1060915492.db2.gz KMBBZMWJJAYYOB-AQFXKWCLSA-N 1 3 308.466 2.321 20 0 DEADHO CC(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001479455082 1061463180 /nfs/dbraw/zinc/46/31/80/1061463180.db2.gz WAWXZTOYRMBXBC-JKSUJKDBSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@@H](F)C[NH2+]CC1(NC(=O)CN(C)C(C)C)CCCCC1 ZINC001506533701 1062095642 /nfs/dbraw/zinc/09/56/42/1062095642.db2.gz VKJLCNNUGZSTAL-OAHLLOKOSA-N 1 3 315.477 2.483 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3F)C2)CCC1 ZINC001480208531 1062466333 /nfs/dbraw/zinc/46/63/33/1062466333.db2.gz VWNJZHNEWGBGAK-GASCZTMLSA-N 1 3 319.424 2.047 20 0 DEADHO CCCCC[NH2+]C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001480287543 1062591155 /nfs/dbraw/zinc/59/11/55/1062591155.db2.gz ZEPRHUIAPJCLAK-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccsc2)[C@H]1C ZINC001507299694 1063054603 /nfs/dbraw/zinc/05/46/03/1063054603.db2.gz WOYHSCKYXAINTN-UKRRQHHQSA-N 1 3 309.479 2.167 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCC2CCCC2)C1 ZINC001480635084 1063132257 /nfs/dbraw/zinc/13/22/57/1063132257.db2.gz BYTUPWDBKBWKKT-DLBZAZTESA-N 1 3 307.482 2.099 20 0 DEADHO CCC[NH2+]C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001480680359 1063179297 /nfs/dbraw/zinc/17/92/97/1063179297.db2.gz KKFUDBYGCBUNPG-INIZCTEOSA-N 1 3 303.450 2.210 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C1CC[NH+](CC2CCC2)CC1 ZINC001508069715 1063534771 /nfs/dbraw/zinc/53/47/71/1063534771.db2.gz OGKUECCACHWSNI-CYBMUJFWSA-N 1 3 318.465 2.277 20 0 DEADHO Cc1ccc(CC[NH2+]CCN(C)C(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001493586599 1063875357 /nfs/dbraw/zinc/87/53/57/1063875357.db2.gz YCANBCQDWQEZFN-SFHVURJKSA-N 1 3 319.493 2.172 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)CC[NH2+]CCC2CCCCC2)C1 ZINC001493695004 1063923287 /nfs/dbraw/zinc/92/32/87/1063923287.db2.gz LBYPPKNOYFNYRS-INIZCTEOSA-N 1 3 309.498 2.347 20 0 DEADHO CN(CCF)C[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001494163206 1064149922 /nfs/dbraw/zinc/14/99/22/1064149922.db2.gz NUQNGJUXWFZKKE-MRXNPFEDSA-N 1 3 321.440 2.112 20 0 DEADHO CN(CC[NH2+]Cc1ccccc1C1CC1)C(=O)[C@@H]1CCCN1C ZINC001567475416 1064216903 /nfs/dbraw/zinc/21/69/03/1064216903.db2.gz HXZGMQVQABENJU-SFHVURJKSA-N 1 3 315.461 2.206 20 0 DEADHO CC/C=C\CC[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001567738467 1064390957 /nfs/dbraw/zinc/39/09/57/1064390957.db2.gz PQIPPVSOHRHCRY-FOSCPCJNSA-N 1 3 304.438 2.089 20 0 DEADHO CC/C=C\CC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001567738467 1064390988 /nfs/dbraw/zinc/39/09/88/1064390988.db2.gz PQIPPVSOHRHCRY-FOSCPCJNSA-N 1 3 304.438 2.089 20 0 DEADHO CCC/C=C\CC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001567737433 1064391809 /nfs/dbraw/zinc/39/18/09/1064391809.db2.gz AYUJZJBVAKGSHH-KJPDOMRESA-N 1 3 318.465 2.479 20 0 DEADHO CCC/C=C\CC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001567737433 1064391827 /nfs/dbraw/zinc/39/18/27/1064391827.db2.gz AYUJZJBVAKGSHH-KJPDOMRESA-N 1 3 318.465 2.479 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCC1)C2 ZINC001484321718 1079537936 /nfs/dbraw/zinc/53/79/36/1079537936.db2.gz RKFVCGYWIDBYHI-BBWFWOEESA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccc(F)cc1 ZINC001495059707 1064672716 /nfs/dbraw/zinc/67/27/16/1064672716.db2.gz VOZWBGZMWJHKPI-PBHICJAKSA-N 1 3 321.440 2.152 20 0 DEADHO CC[C@@H](C(=O)N[C@](C)(C[NH2+]CCC(F)(F)F)C1CC1)N(C)C ZINC001495280395 1064804816 /nfs/dbraw/zinc/80/48/16/1064804816.db2.gz NLTMCDDUEHASMB-GXTWGEPZSA-N 1 3 323.403 2.154 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC1CC[NH+](CC2CCC2)CC1 ZINC001495537829 1064972001 /nfs/dbraw/zinc/97/20/01/1064972001.db2.gz JCRMWMMHCPAHGM-UHFFFAOYSA-N 1 3 318.465 2.279 20 0 DEADHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@@H]1CCc2ccccc21 ZINC001568898405 1065178579 /nfs/dbraw/zinc/17/85/79/1065178579.db2.gz LOKWBMKDWNJSKO-UBZMYNMCSA-N 1 3 313.445 2.030 20 0 DEADHO C[C@H](CNCC=C(Cl)Cl)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001496149094 1065306817 /nfs/dbraw/zinc/30/68/17/1065306817.db2.gz KEBARWBKQHFADY-LLVKDONJSA-N 1 3 322.280 2.084 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CCC1 ZINC001496178212 1065325230 /nfs/dbraw/zinc/32/52/30/1065325230.db2.gz JHXHIDSIMSXYOA-RDJZCZTQSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[C@H](C[NH2+]CC1CC1)NC(=O)C(C)(C)N1CCCC1 ZINC001496283281 1065384412 /nfs/dbraw/zinc/38/44/12/1065384412.db2.gz JWGJHSSKBYIHMP-MRXNPFEDSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)=CC[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001496339837 1065414288 /nfs/dbraw/zinc/41/42/88/1065414288.db2.gz GHGWESYPKRGSKQ-HOTGVXAUSA-N 1 3 307.482 2.264 20 0 DEADHO C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)[C@@H]1C[NH2+]CCC1CC1 ZINC001496482647 1065500035 /nfs/dbraw/zinc/50/00/35/1065500035.db2.gz JIXIFVXJSIYNEX-CRAIPNDOSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]([NH2+]CC1=CCCCC1)C(C)C ZINC001496628239 1065604633 /nfs/dbraw/zinc/60/46/33/1065604633.db2.gz KEKOGNKDTXQEAX-QGZVFWFLSA-N 1 3 318.465 2.491 20 0 DEADHO CN(CC[N@H+](C)CCC1CCCCC1)C(=O)Cc1c[nH]cn1 ZINC001496791533 1065713736 /nfs/dbraw/zinc/71/37/36/1065713736.db2.gz HUICCQNRYLNRFX-UHFFFAOYSA-N 1 3 306.454 2.313 20 0 DEADHO CN(CC[N@@H+](C)CCC1CCCCC1)C(=O)Cc1c[nH]cn1 ZINC001496791533 1065713745 /nfs/dbraw/zinc/71/37/45/1065713745.db2.gz HUICCQNRYLNRFX-UHFFFAOYSA-N 1 3 306.454 2.313 20 0 DEADHO CCCCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001496865019 1065765300 /nfs/dbraw/zinc/76/53/00/1065765300.db2.gz VUZMQDJNSMWVJM-HOCLYGCPSA-N 1 3 304.438 2.065 20 0 DEADHO CCCCC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001496865019 1065765312 /nfs/dbraw/zinc/76/53/12/1065765312.db2.gz VUZMQDJNSMWVJM-HOCLYGCPSA-N 1 3 304.438 2.065 20 0 DEADHO C[C@@H](CC[NH2+]CCc1cccs1)NC(=O)C1(N(C)C)CCC1 ZINC001497204822 1065959679 /nfs/dbraw/zinc/95/96/79/1065959679.db2.gz GLJIWRMRLPSZHK-AWEZNQCLSA-N 1 3 323.506 2.259 20 0 DEADHO CCCC[NH2+]C/C=C\CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001497681669 1066234860 /nfs/dbraw/zinc/23/48/60/1066234860.db2.gz SYAGFQAROXXHAV-ZPUOCTKUSA-N 1 3 313.461 2.261 20 0 DEADHO CC(C)(CNC(=O)C[C@H]1NCc2ccccc21)C[NH+]1CCCC1 ZINC001575323833 1066265492 /nfs/dbraw/zinc/26/54/92/1066265492.db2.gz YQFMXXDLJZTRSH-QGZVFWFLSA-N 1 3 315.461 2.459 20 0 DEADHO CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC001575435063 1066301910 /nfs/dbraw/zinc/30/19/10/1066301910.db2.gz UVVLHOUNHGZSRS-QZTJIDSGSA-N 1 3 317.477 2.041 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(C)c1 ZINC001497994211 1066450040 /nfs/dbraw/zinc/45/00/40/1066450040.db2.gz XQMJEFOVDFOCHG-SJLPKXTDSA-N 1 3 317.477 2.464 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])CC1)c1ccco1 ZINC001577002920 1066743636 /nfs/dbraw/zinc/74/36/36/1066743636.db2.gz IUHXTFCYGDXQLV-ZQDZILKHSA-N 1 3 307.438 2.343 20 0 DEADHO Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCCN2C)cc1F ZINC001498526622 1066763120 /nfs/dbraw/zinc/76/31/20/1066763120.db2.gz WGHFZCVOXOYZQP-KRWDZBQOSA-N 1 3 321.440 2.166 20 0 DEADHO CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1CCC1C[NH2+]C1 ZINC001577928462 1066954513 /nfs/dbraw/zinc/95/45/13/1066954513.db2.gz QQDGFIMGZMMPIY-IBGZPJMESA-N 1 3 316.445 2.236 20 0 DEADHO CCOC(=O)[C@H]1CN(CCCCCCC[NH3+])CCC1(F)F ZINC001577935738 1066955561 /nfs/dbraw/zinc/95/55/61/1066955561.db2.gz DEDJUMVUQSXABA-CYBMUJFWSA-N 1 3 306.397 2.416 20 0 DEADHO CCOC(=O)N1CCC[C@H]([C@@H](C)N[C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC001577991204 1066961013 /nfs/dbraw/zinc/96/10/13/1066961013.db2.gz KANLUOXWRYZRGA-LVQVYYBASA-N 1 3 311.470 2.364 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@H]2CCCC[C@H]2[NH3+])N(C)C)cc1 ZINC001578253915 1067034186 /nfs/dbraw/zinc/03/41/86/1067034186.db2.gz RLXYCQIMZMIFJP-KSZLIROESA-N 1 3 317.477 2.485 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN1Cc1c(C)cccc1C ZINC001499092391 1067086523 /nfs/dbraw/zinc/08/65/23/1067086523.db2.gz FNZPTCCRZCRSJU-KRWDZBQOSA-N 1 3 317.477 2.336 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1Cc1c(C)cccc1C ZINC001499092391 1067086536 /nfs/dbraw/zinc/08/65/36/1067086536.db2.gz FNZPTCCRZCRSJU-KRWDZBQOSA-N 1 3 317.477 2.336 20 0 DEADHO CN(C)C[C@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC001578412441 1067090305 /nfs/dbraw/zinc/09/03/05/1067090305.db2.gz MJPATOIBPRIONB-BMFZPTHFSA-N 1 3 307.413 2.062 20 0 DEADHO COc1cc(OC)cc(N2CCCN(CC(C)(C)C[NH3+])CC2)c1 ZINC001579171134 1067249074 /nfs/dbraw/zinc/24/90/74/1067249074.db2.gz NQSJHTPZPIRQJU-UHFFFAOYSA-N 1 3 321.465 2.201 20 0 DEADHO COc1ccc([C@@H](CCO)NCc2cccc(C[NH3+])c2)cc1 ZINC001579193990 1067253592 /nfs/dbraw/zinc/25/35/92/1067253592.db2.gz IZRGQNXDDYDTRV-GOSISDBHSA-N 1 3 300.402 2.367 20 0 DEADHO CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H](C)C1 ZINC001499849083 1067360531 /nfs/dbraw/zinc/36/05/31/1067360531.db2.gz RLTQVSIIMDNPMP-SSBHQGKESA-N 1 3 304.438 2.278 20 0 DEADHO Cc1nc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)sc1C ZINC001579858032 1067440182 /nfs/dbraw/zinc/44/01/82/1067440182.db2.gz QUSGLSQYMRHNTO-KKUMJFAQSA-N 1 3 309.479 2.478 20 0 DEADHO [NH3+][C@@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C1CCCCC1 ZINC001580111456 1067496819 /nfs/dbraw/zinc/49/68/19/1067496819.db2.gz GPIXHQPBUXWUIJ-QZTJIDSGSA-N 1 3 315.461 2.285 20 0 DEADHO N[C@@H]1CCCCC[N@H+](C[C@@H](O)CC[C@H](O)c2ccccc2)C1 ZINC001580184666 1067519902 /nfs/dbraw/zinc/51/99/02/1067519902.db2.gz YKMWFMHOAXEILH-SQNIBIBYSA-N 1 3 306.450 2.064 20 0 DEADHO N[C@@H]1CCCCC[N@@H+](C[C@@H](O)CC[C@H](O)c2ccccc2)C1 ZINC001580184666 1067519909 /nfs/dbraw/zinc/51/99/09/1067519909.db2.gz YKMWFMHOAXEILH-SQNIBIBYSA-N 1 3 306.450 2.064 20 0 DEADHO CC[C@H](C(=O)N(C)[C@@H](C[NH2+]Cc1ccsc1)C1CC1)N(C)C ZINC001369230349 1148875205 /nfs/dbraw/zinc/87/52/05/1148875205.db2.gz QLOYRGUDQAKOCD-CVEARBPZSA-N 1 3 323.506 2.415 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)CC(C)(C)C[NH2+]CCCF ZINC001570691667 1068072320 /nfs/dbraw/zinc/07/23/20/1068072320.db2.gz YJCOVFZYFVTQJT-OAHLLOKOSA-N 1 3 315.477 2.295 20 0 DEADHO CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C ZINC001571463398 1068312955 /nfs/dbraw/zinc/31/29/55/1068312955.db2.gz VCKYRURRYSRIEC-HMRWBYCRSA-N 1 3 304.438 2.278 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1=CC[N@H+](CC[C@@H](C)F)CC1)N(C)C ZINC001571698339 1068488601 /nfs/dbraw/zinc/48/86/01/1068488601.db2.gz DEEPCQSVFVYZJK-ZBFHGGJFSA-N 1 3 313.461 2.069 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1=CC[N@@H+](CC[C@@H](C)F)CC1)N(C)C ZINC001571698339 1068488607 /nfs/dbraw/zinc/48/86/07/1068488607.db2.gz DEEPCQSVFVYZJK-ZBFHGGJFSA-N 1 3 313.461 2.069 20 0 DEADHO CCCN(C)CC(=O)NCC[N@H+](C)Cc1cc(C)ccc1C ZINC001480937481 1078811221 /nfs/dbraw/zinc/81/12/21/1078811221.db2.gz LGPOHVADOXXWBA-UHFFFAOYSA-N 1 3 305.466 2.193 20 0 DEADHO CCCN(C)CC(=O)NCC[N@@H+](C)Cc1cc(C)ccc1C ZINC001480937481 1078811227 /nfs/dbraw/zinc/81/12/27/1078811227.db2.gz LGPOHVADOXXWBA-UHFFFAOYSA-N 1 3 305.466 2.193 20 0 DEADHO O=C(CCC[NH+]1CCCCC1)NC[C@H]1CCN1CCC1CC1 ZINC001483700881 1078821313 /nfs/dbraw/zinc/82/13/13/1078821313.db2.gz DDDMJHASVPVDOM-QGZVFWFLSA-N 1 3 307.482 2.243 20 0 DEADHO C[NH+]1CCC(N(C(=O)[C@@H](N)C(C)(C)C)c2ccccc2)CC1 ZINC001573882819 1069125142 /nfs/dbraw/zinc/12/51/42/1069125142.db2.gz JRWMYKQSAYVMDM-MRXNPFEDSA-N 1 3 303.450 2.487 20 0 DEADHO CC(C)N(CCF)CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001267510575 1078940359 /nfs/dbraw/zinc/94/03/59/1078940359.db2.gz VGWKMEQYPXPGOB-HZPDHXFCSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)N(CCF)CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001267510575 1078940363 /nfs/dbraw/zinc/94/03/63/1078940363.db2.gz VGWKMEQYPXPGOB-HZPDHXFCSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H](CN(C)C(=O)C(C)(C)N1CCCCC1)[NH2+]CCCF ZINC001277819717 1084161197 /nfs/dbraw/zinc/16/11/97/1084161197.db2.gz QBUYAHRAYZQNQR-AWEZNQCLSA-N 1 3 301.450 2.047 20 0 DEADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CCN(C4CC4)C[C@H](C)C3)C[N@@H+]2C1 ZINC001548711023 1072827392 /nfs/dbraw/zinc/82/73/92/1072827392.db2.gz ZZNBFRPGHHEURA-HPFXQQBRSA-N 1 3 319.493 2.050 20 0 DEADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CCN(C4CC4)C[C@H](C)C3)C[N@H+]2C1 ZINC001548711023 1072827406 /nfs/dbraw/zinc/82/74/06/1072827406.db2.gz ZZNBFRPGHHEURA-HPFXQQBRSA-N 1 3 319.493 2.050 20 0 DEADHO c1nc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc2c1OCO2 ZINC001549039052 1072991826 /nfs/dbraw/zinc/99/18/26/1072991826.db2.gz KVAVCVBVFXSYMY-UONOGXRCSA-N 1 3 303.406 2.022 20 0 DEADHO CC[C@@H]([NH3+])CN1CCN[C@@H](c2cccc(Br)c2)C1 ZINC001235794041 1079034282 /nfs/dbraw/zinc/03/42/82/1079034282.db2.gz IZVORIBWCIOEQR-ZIAGYGMSSA-N 1 3 312.255 2.133 20 0 DEADHO Cn1cnc([C@@H]2C[N@H+]([C@@H]3CCCc4ccc(F)cc43)C[C@@H]2N)c1 ZINC001549724159 1073247395 /nfs/dbraw/zinc/24/73/95/1073247395.db2.gz FFUPQWYPKBHJSN-SOLBZPMBSA-N 1 3 314.408 2.363 20 0 DEADHO Cn1cnc([C@@H]2C[N@@H+]([C@@H]3CCCc4ccc(F)cc43)C[C@@H]2N)c1 ZINC001549724159 1073247393 /nfs/dbraw/zinc/24/73/93/1073247393.db2.gz FFUPQWYPKBHJSN-SOLBZPMBSA-N 1 3 314.408 2.363 20 0 DEADHO Cc1c[nH+]c2ccccc2c1N1CC[C@@H](N2CCN(C)CC2)C1 ZINC001549908461 1073328770 /nfs/dbraw/zinc/32/87/70/1073328770.db2.gz ZAWWYLZVBHYRGI-MRXNPFEDSA-N 1 3 310.445 2.369 20 0 DEADHO CC(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001409903540 1079081482 /nfs/dbraw/zinc/08/14/82/1079081482.db2.gz IAKZCWISIUOCJW-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1C[C@@H]1c1noc(CC2CCN(C[C@H]3C[NH2+]C[C@H]3C)CC2)n1 ZINC001550350098 1073608563 /nfs/dbraw/zinc/60/85/63/1073608563.db2.gz HZZXVTKNOGZLTD-XOUADPBQSA-N 1 3 318.465 2.303 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3ccc(F)nc3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550423283 1073648989 /nfs/dbraw/zinc/64/89/89/1073648989.db2.gz KSFGXZQQMLHWBV-ATLSCFEFSA-N 1 3 321.440 2.180 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3ccc(F)nc3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550423283 1073648994 /nfs/dbraw/zinc/64/89/94/1073648994.db2.gz KSFGXZQQMLHWBV-ATLSCFEFSA-N 1 3 321.440 2.180 20 0 DEADHO Cn1nccc1[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCCN[C@H]3C2(C)C)CCO1 ZINC001550474076 1073670341 /nfs/dbraw/zinc/67/03/41/1073670341.db2.gz IYDWELIJLZKLRX-PNDGYWDASA-N 1 3 318.465 2.006 20 0 DEADHO Cn1nccc1[C@@H]1C[C@H](N[C@@H]2[C@H]3CCC[NH2+][C@H]3C2(C)C)CCO1 ZINC001550474076 1073670345 /nfs/dbraw/zinc/67/03/45/1073670345.db2.gz IYDWELIJLZKLRX-PNDGYWDASA-N 1 3 318.465 2.006 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1C[C@@H](c2ccccc2)CO1 ZINC001550516754 1073688145 /nfs/dbraw/zinc/68/81/45/1073688145.db2.gz PHPBKCWVAKKDSR-DZGDQSPQSA-N 1 3 300.446 2.489 20 0 DEADHO C[N@@H+]1CC[C@@H]2CN(CCc3nc(-c4ccccc4)no3)C[C@H]2C1 ZINC001550541237 1073711081 /nfs/dbraw/zinc/71/10/81/1073711081.db2.gz SQTRCGANROEXHV-HZPDHXFCSA-N 1 3 312.417 2.163 20 0 DEADHO C[N@H+]1CC[C@@H]2CN(CCc3nc(-c4ccccc4)no3)C[C@H]2C1 ZINC001550541237 1073711090 /nfs/dbraw/zinc/71/10/90/1073711090.db2.gz SQTRCGANROEXHV-HZPDHXFCSA-N 1 3 312.417 2.163 20 0 DEADHO CC(C)CCN1CCC([NH2+][C@H]2CCO[C@H]2c2ccnn2C)CC1 ZINC001550634343 1073761348 /nfs/dbraw/zinc/76/13/48/1073761348.db2.gz UBOFLMNREQHJPQ-FUHWJXTLSA-N 1 3 320.481 2.350 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C[C@@H]4CCCC[C@@H]4C3=O)C[C@@H]2C1 ZINC001551380547 1074197706 /nfs/dbraw/zinc/19/77/06/1074197706.db2.gz DMYHQWWTDREVGA-ICUGJSFKSA-N 1 3 319.493 2.255 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)CC1 ZINC001551399415 1074204819 /nfs/dbraw/zinc/20/48/19/1074204819.db2.gz LVFPETNSANSBGM-XQCYAOSWSA-N 1 3 320.477 2.033 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001551875191 1074403412 /nfs/dbraw/zinc/40/34/12/1074403412.db2.gz JCKAVASKSFTOIX-QRQLOZEOSA-N 1 3 319.493 2.195 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001551875191 1074403421 /nfs/dbraw/zinc/40/34/21/1074403421.db2.gz JCKAVASKSFTOIX-QRQLOZEOSA-N 1 3 319.493 2.195 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001369276586 1148888867 /nfs/dbraw/zinc/88/88/67/1148888867.db2.gz CNMIUZQWLTUVRK-LSDHHAIUSA-N 1 3 314.433 2.458 20 0 DEADHO CC[C@@H]1C[C@H]([NH2+]Cc2cccc(CN3CCN(C)CC3)c2)CO1 ZINC001649879005 1079280164 /nfs/dbraw/zinc/28/01/64/1079280164.db2.gz PPEVUPZIKCULOR-RBUKOAKNSA-N 1 3 317.477 2.091 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)NCCN2CCCCC2)[C@H]1c1ccccc1 ZINC001552296640 1074526675 /nfs/dbraw/zinc/52/66/75/1074526675.db2.gz GYWPVDNUUZZDOL-ZWKOTPCHSA-N 1 3 315.461 2.282 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)NCCN2CCCCC2)[C@H]1c1ccccc1 ZINC001552296640 1074526683 /nfs/dbraw/zinc/52/66/83/1074526683.db2.gz GYWPVDNUUZZDOL-ZWKOTPCHSA-N 1 3 315.461 2.282 20 0 DEADHO CN(C(=O)[C@@H]1CCCC[NH2+]C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001552394899 1074566266 /nfs/dbraw/zinc/56/62/66/1074566266.db2.gz BIVHCZGXPVQHFP-MSOLQXFVSA-N 1 3 315.461 2.109 20 0 DEADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCCC[NH2+]C1 ZINC001552416282 1074571505 /nfs/dbraw/zinc/57/15/05/1074571505.db2.gz MIOYTOSFUTXUBB-ZWKOTPCHSA-N 1 3 315.461 2.157 20 0 DEADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)[C@@H]1CCCC[NH2+]C1 ZINC001552421797 1074573428 /nfs/dbraw/zinc/57/34/28/1074573428.db2.gz CSRRNPYDLYFEQF-QZTJIDSGSA-N 1 3 315.461 2.157 20 0 DEADHO N[C@@H](C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)C1CCCCCC1 ZINC001646748259 1074596508 /nfs/dbraw/zinc/59/65/08/1074596508.db2.gz KZKUVWAZPRPSHJ-DLBZAZTESA-N 1 3 307.482 2.132 20 0 DEADHO CC[NH+](CC)CC[C@H](C)NC(=O)c1ccc2c(c1)OCCNC2 ZINC001646837761 1074643156 /nfs/dbraw/zinc/64/31/56/1074643156.db2.gz NCTSKAAESRUBKQ-AWEZNQCLSA-N 1 3 319.449 2.019 20 0 DEADHO CCC[C@@H]1CCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001646945470 1074717557 /nfs/dbraw/zinc/71/75/57/1074717557.db2.gz XHGJXXNCFGEYGV-JKSUJKDBSA-N 1 3 312.502 2.233 20 0 DEADHO CCC[C@@H]1CCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001646945470 1074717561 /nfs/dbraw/zinc/71/75/61/1074717561.db2.gz XHGJXXNCFGEYGV-JKSUJKDBSA-N 1 3 312.502 2.233 20 0 DEADHO Cn1cncc1[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCCN[C@H]3C2(C)C)CCO1 ZINC001553025360 1074740340 /nfs/dbraw/zinc/74/03/40/1074740340.db2.gz CZCCAPHRDGFUFK-MAURAIGZSA-N 1 3 318.465 2.006 20 0 DEADHO Cn1cncc1[C@@H]1C[C@H](N[C@@H]2[C@@H]3CCC[NH2+][C@H]3C2(C)C)CCO1 ZINC001553025360 1074740349 /nfs/dbraw/zinc/74/03/49/1074740349.db2.gz CZCCAPHRDGFUFK-MAURAIGZSA-N 1 3 318.465 2.006 20 0 DEADHO Cn1cncc1[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCCN[C@@H]3C2(C)C)CCO1 ZINC001553025363 1074740878 /nfs/dbraw/zinc/74/08/78/1074740878.db2.gz CZCCAPHRDGFUFK-NOYHWAJDSA-N 1 3 318.465 2.006 20 0 DEADHO Cn1cncc1[C@@H]1C[C@H](N[C@@H]2[C@H]3CCC[NH2+][C@@H]3C2(C)C)CCO1 ZINC001553025363 1074740885 /nfs/dbraw/zinc/74/08/85/1074740885.db2.gz CZCCAPHRDGFUFK-NOYHWAJDSA-N 1 3 318.465 2.006 20 0 DEADHO C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCN1C1CCCC1 ZINC001646992033 1074750911 /nfs/dbraw/zinc/75/09/11/1074750911.db2.gz GQNHOUQECZMMFC-MRXNPFEDSA-N 1 3 319.493 2.338 20 0 DEADHO NC(=O)CCNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001647233480 1074851833 /nfs/dbraw/zinc/85/18/33/1074851833.db2.gz YMHNOWXSCBYTTH-ALOPSCKCSA-N 1 3 301.434 2.037 20 0 DEADHO NC(=O)CCNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001647233480 1074851840 /nfs/dbraw/zinc/85/18/40/1074851840.db2.gz YMHNOWXSCBYTTH-ALOPSCKCSA-N 1 3 301.434 2.037 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001647614862 1074956216 /nfs/dbraw/zinc/95/62/16/1074956216.db2.gz FUOBDHQIGUFRAV-ZWKOTPCHSA-N 1 3 315.461 2.109 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001647614862 1074956217 /nfs/dbraw/zinc/95/62/17/1074956217.db2.gz FUOBDHQIGUFRAV-ZWKOTPCHSA-N 1 3 315.461 2.109 20 0 DEADHO CCCCCCN1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001565831248 1075192247 /nfs/dbraw/zinc/19/22/47/1075192247.db2.gz CUXUPCWOZMKCCL-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@H](CNC[C@H](O)CC2(CO)CCCC2)C1 ZINC001650160752 1079427941 /nfs/dbraw/zinc/42/79/41/1079427941.db2.gz NXKQWQTTZCYNBZ-HZPDHXFCSA-N 1 3 312.498 2.000 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@H](CNC[C@H](O)CC2(CO)CCCC2)C1 ZINC001650160752 1079427944 /nfs/dbraw/zinc/42/79/44/1079427944.db2.gz NXKQWQTTZCYNBZ-HZPDHXFCSA-N 1 3 312.498 2.000 20 0 DEADHO CCCN(C)CC(=O)N1CCC(C[N@H+](C)CC=C(C)C)CC1 ZINC001267758870 1079460274 /nfs/dbraw/zinc/46/02/74/1079460274.db2.gz RJQBABNNOGCRGV-UHFFFAOYSA-N 1 3 309.498 2.465 20 0 DEADHO CCCN(C)CC(=O)N1CCC(C[N@@H+](C)CC=C(C)C)CC1 ZINC001267758870 1079460277 /nfs/dbraw/zinc/46/02/77/1079460277.db2.gz RJQBABNNOGCRGV-UHFFFAOYSA-N 1 3 309.498 2.465 20 0 DEADHO CC[C@H](C(=O)N(C)CC[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001481245414 1079462851 /nfs/dbraw/zinc/46/28/51/1079462851.db2.gz ITFUVRHFJIONJW-MRXNPFEDSA-N 1 3 309.429 2.022 20 0 DEADHO O=C(N[C@H]1CC[NH2+]C[C@H]1F)c1cccc(CN2CCCCC2)c1 ZINC001580615600 1075961806 /nfs/dbraw/zinc/96/18/06/1075961806.db2.gz ICEUEDUVNYAIMN-SJORKVTESA-N 1 3 319.424 2.102 20 0 DEADHO C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589804227 1076517814 /nfs/dbraw/zinc/51/78/14/1076517814.db2.gz FEUQTGQWEMOVPN-QWRGUYRKSA-N 1 3 306.389 2.174 20 0 DEADHO C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001589804227 1076517815 /nfs/dbraw/zinc/51/78/15/1076517815.db2.gz FEUQTGQWEMOVPN-QWRGUYRKSA-N 1 3 306.389 2.174 20 0 DEADHO C[C@H](CCC[NH3+])[NH2+][C@H]1CCCCc2cc(-c3nnn[n-]3)ccc21 ZINC001589808785 1076518872 /nfs/dbraw/zinc/51/88/72/1076518872.db2.gz FKYZFMYVKGFWSC-WBMJQRKESA-N 1 3 314.437 2.351 20 0 DEADHO C[C@H](CCC[NH3+])[NH2+][C@H]1CCCCc2cc(-c3nn[n-]n3)ccc21 ZINC001589808785 1076518876 /nfs/dbraw/zinc/51/88/76/1076518876.db2.gz FKYZFMYVKGFWSC-WBMJQRKESA-N 1 3 314.437 2.351 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCC1)C2 ZINC001484321718 1079537929 /nfs/dbraw/zinc/53/79/29/1079537929.db2.gz RKFVCGYWIDBYHI-BBWFWOEESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC001650359994 1079559695 /nfs/dbraw/zinc/55/96/95/1079559695.db2.gz HEMLKPNKYSRQLC-ULQDDVLXSA-N 1 3 307.482 2.240 20 0 DEADHO CCCCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001484414345 1079600011 /nfs/dbraw/zinc/60/00/11/1079600011.db2.gz JGLCVLMZFOWCEV-BBWFWOEESA-N 1 3 309.498 2.153 20 0 DEADHO CCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001484414345 1079600017 /nfs/dbraw/zinc/60/00/17/1079600017.db2.gz JGLCVLMZFOWCEV-BBWFWOEESA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)=CC[NH+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)CC1 ZINC001484582720 1079670776 /nfs/dbraw/zinc/67/07/76/1079670776.db2.gz WYUMGYRWKNUWTQ-UHFFFAOYSA-N 1 3 307.482 2.217 20 0 DEADHO CC1CCN(CC(=O)N(C)CC[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001481295363 1079675953 /nfs/dbraw/zinc/67/59/53/1079675953.db2.gz RZQKIUFBHUXVQD-KURKYZTESA-N 1 3 321.509 2.203 20 0 DEADHO CC/C=C\CC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001484886943 1079837059 /nfs/dbraw/zinc/83/70/59/1079837059.db2.gz DCNUGDHCQZQIER-SHUKXNKTSA-N 1 3 307.482 2.264 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]CCCF)CCCC1 ZINC001268035909 1079865501 /nfs/dbraw/zinc/86/55/01/1079865501.db2.gz SVPKDVNYXLVSRP-OAHLLOKOSA-N 1 3 313.461 2.239 20 0 DEADHO C[NH+](C)CCNC(=O)c1cccc(CNCc2ccccc2)c1 ZINC000066994708 1079871602 /nfs/dbraw/zinc/87/16/02/1079871602.db2.gz NYNDBLBRRVBPNU-UHFFFAOYSA-N 1 3 311.429 2.268 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001481461362 1079904386 /nfs/dbraw/zinc/90/43/86/1079904386.db2.gz BGVMARQMCHOHKO-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001481461362 1079904392 /nfs/dbraw/zinc/90/43/92/1079904392.db2.gz BGVMARQMCHOHKO-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](C[NH2+]CCC1CCCC1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001268085444 1080041275 /nfs/dbraw/zinc/04/12/75/1080041275.db2.gz IQLPCWYKFJXWHD-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)NCc1ccccc1F ZINC001485185516 1080045107 /nfs/dbraw/zinc/04/51/07/1080045107.db2.gz GCEYWJRPTYHPBO-UONOGXRCSA-N 1 3 321.440 2.150 20 0 DEADHO Cc1ccc(F)cc1C[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)C(C)C ZINC001485229706 1080078213 /nfs/dbraw/zinc/07/82/13/1080078213.db2.gz KWIDNOVUFVYRIM-CABCVRRESA-N 1 3 323.456 2.457 20 0 DEADHO CCCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001656448766 1080093829 /nfs/dbraw/zinc/09/38/29/1080093829.db2.gz VABRUCMYQLUEPV-GOEBONIOSA-N 1 3 306.454 2.359 20 0 DEADHO CC[C@@H](F)C[NH2+]CC[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001268167217 1080151513 /nfs/dbraw/zinc/15/15/13/1080151513.db2.gz QQUMWNUOGLNFEA-HZPDHXFCSA-N 1 3 315.477 2.436 20 0 DEADHO C[NH+](C)CCOCCNCc1ccccc1OCC(F)(F)F ZINC001657828963 1080187108 /nfs/dbraw/zinc/18/71/08/1080187108.db2.gz HHCPVZJWPLLBRK-UHFFFAOYSA-N 1 3 320.355 2.296 20 0 DEADHO Cc1cc(F)ccc1CN(C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001485383822 1080188402 /nfs/dbraw/zinc/18/84/02/1080188402.db2.gz OMJCBOXFZBQLEU-ZBFHGGJFSA-N 1 3 321.440 2.022 20 0 DEADHO Cc1cc(F)ccc1CN(C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001485383822 1080188405 /nfs/dbraw/zinc/18/84/05/1080188405.db2.gz OMJCBOXFZBQLEU-ZBFHGGJFSA-N 1 3 321.440 2.022 20 0 DEADHO CC[C@@H](F)CN(C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001660321732 1080310947 /nfs/dbraw/zinc/31/09/47/1080310947.db2.gz KWZZPDNIQLKADA-CVEARBPZSA-N 1 3 315.477 2.436 20 0 DEADHO CC[C@@H](F)CN(C)CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001660321732 1080310952 /nfs/dbraw/zinc/31/09/52/1080310952.db2.gz KWZZPDNIQLKADA-CVEARBPZSA-N 1 3 315.477 2.436 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CCC(F)(F)F ZINC001268426235 1080457846 /nfs/dbraw/zinc/45/78/46/1080457846.db2.gz LRKIUOWIEALMBD-QWHCGFSZSA-N 1 3 323.403 2.298 20 0 DEADHO CCN(C(=O)CC[N@H+](C)CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001481776973 1080492473 /nfs/dbraw/zinc/49/24/73/1080492473.db2.gz CWVIJTOTXZAHOK-GOSISDBHSA-N 1 3 317.477 2.451 20 0 DEADHO CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001481776973 1080492475 /nfs/dbraw/zinc/49/24/75/1080492475.db2.gz CWVIJTOTXZAHOK-GOSISDBHSA-N 1 3 317.477 2.451 20 0 DEADHO CCC[NH2+][C@@H](CC)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001481849139 1080548812 /nfs/dbraw/zinc/54/88/12/1080548812.db2.gz APDYERIFGHEPRP-XJKSGUPXSA-N 1 3 301.450 2.093 20 0 DEADHO CC(C)N(C)CC(=O)NC1(C[NH2+]CCC(F)(F)F)CCCC1 ZINC001481912853 1080601768 /nfs/dbraw/zinc/60/17/68/1080601768.db2.gz JQGCDMDENMZVLG-UHFFFAOYSA-N 1 3 323.403 2.298 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]CC=C(Cl)Cl)C1)N(C)C ZINC001662713116 1080639471 /nfs/dbraw/zinc/63/94/71/1080639471.db2.gz WVMFRUPQGZWKAQ-VXGBXAGGSA-N 1 3 322.280 2.084 20 0 DEADHO C[N@@H+]1CCC[C@H]1CCC(=O)NC/C=C/CNCc1ccsc1 ZINC001268552546 1080747982 /nfs/dbraw/zinc/74/79/82/1080747982.db2.gz NOMNMUQYPLCKRW-KZSQQDEKSA-N 1 3 321.490 2.385 20 0 DEADHO C[N@H+]1CCC[C@H]1CCC(=O)NC/C=C/CNCc1ccsc1 ZINC001268552546 1080747990 /nfs/dbraw/zinc/74/79/90/1080747990.db2.gz NOMNMUQYPLCKRW-KZSQQDEKSA-N 1 3 321.490 2.385 20 0 DEADHO C[C@H]([NH2+]C/C=C/CNC(=O)[C@H]1CCCN1C)c1ccccc1 ZINC001268572760 1080782000 /nfs/dbraw/zinc/78/20/00/1080782000.db2.gz CCLJOUFIWCMOBM-WWJLMDQWSA-N 1 3 301.434 2.104 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCc2cccc(F)c2)CC[N@@H+]1C ZINC001663942778 1080840234 /nfs/dbraw/zinc/84/02/34/1080840234.db2.gz WZDIPAYOFUVYEK-DLBZAZTESA-N 1 3 321.440 2.104 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCc2cccc(F)c2)CC[N@H+]1C ZINC001663942778 1080840240 /nfs/dbraw/zinc/84/02/40/1080840240.db2.gz WZDIPAYOFUVYEK-DLBZAZTESA-N 1 3 321.440 2.104 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NC/C=C\CNC/C=C\Cl)CC1 ZINC001268611566 1080889902 /nfs/dbraw/zinc/88/99/02/1080889902.db2.gz SKVKVRDREGCHQQ-UBNNFMAXSA-N 1 3 313.873 2.121 20 0 DEADHO CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001268619297 1080897100 /nfs/dbraw/zinc/89/71/00/1080897100.db2.gz SRPYSCHXVUTUSL-TUYSUELWSA-N 1 3 321.440 2.236 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C/C=C/Cl ZINC001268706496 1080944339 /nfs/dbraw/zinc/94/43/39/1080944339.db2.gz KCEBHHAEFDVINZ-AJKRIUKHSA-N 1 3 301.862 2.096 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001664740709 1080952415 /nfs/dbraw/zinc/95/24/15/1080952415.db2.gz JKDJYMLIWIDMCT-SJORKVTESA-N 1 3 307.482 2.123 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001664740709 1080952421 /nfs/dbraw/zinc/95/24/21/1080952421.db2.gz JKDJYMLIWIDMCT-SJORKVTESA-N 1 3 307.482 2.123 20 0 DEADHO CC[C@@H](C(=O)NC1(C[NH2+]C/C=C\Cl)CCCC1)N(C)C ZINC001665948412 1081101664 /nfs/dbraw/zinc/10/16/64/1081101664.db2.gz TUBQDXCQXIDWCN-SZNGSJQDSA-N 1 3 301.862 2.098 20 0 DEADHO CC[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CCCF ZINC001269168572 1081149001 /nfs/dbraw/zinc/14/90/01/1081149001.db2.gz HSKQXDUWJUFOJE-GDBMZVCRSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H](C[NH2+]CCC1=CCCCC1)N(C)C(=O)CN1CCCC1 ZINC001667053159 1081205882 /nfs/dbraw/zinc/20/58/82/1081205882.db2.gz BGBAWORRJCJINQ-INIZCTEOSA-N 1 3 307.482 2.409 20 0 DEADHO CC/C=C/CCN1CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001269311504 1081206506 /nfs/dbraw/zinc/20/65/06/1081206506.db2.gz UPMBUKMYZFZBPI-BDUNBXCCSA-N 1 3 307.482 2.265 20 0 DEADHO CC[C@H](F)C[NH2+]CC[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001668061779 1081311487 /nfs/dbraw/zinc/31/14/87/1081311487.db2.gz XNBMREXCCTUUSE-GJZGRUSLSA-N 1 3 315.477 2.483 20 0 DEADHO CC[C@@H](F)C[NH2+]CC[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001668061780 1081311888 /nfs/dbraw/zinc/31/18/88/1081311888.db2.gz XNBMREXCCTUUSE-HUUCEWRRSA-N 1 3 315.477 2.483 20 0 DEADHO Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001668087639 1081314286 /nfs/dbraw/zinc/31/42/86/1081314286.db2.gz RIHFGVMFESHBGB-INIZCTEOSA-N 1 3 317.477 2.464 20 0 DEADHO Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)CN(C)C(C)C)cc1 ZINC001668320048 1081341072 /nfs/dbraw/zinc/34/10/72/1081341072.db2.gz NREYAUCMULSRHU-INIZCTEOSA-N 1 3 305.466 2.320 20 0 DEADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(CC2CCCCCC2)CC1 ZINC000950509933 1081357619 /nfs/dbraw/zinc/35/76/19/1081357619.db2.gz KCNXPEUHLRCTDN-FUHWJXTLSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(CC2CCCCCC2)CC1 ZINC000950509933 1081357624 /nfs/dbraw/zinc/35/76/24/1081357624.db2.gz KCNXPEUHLRCTDN-FUHWJXTLSA-N 1 3 321.509 2.299 20 0 DEADHO O=C(CN1CCCC1)NC/C=C\C[NH2+]CC1CCC2(CC2)CC1 ZINC001669188730 1081436030 /nfs/dbraw/zinc/43/60/30/1081436030.db2.gz ICETUCIUVRPRMF-UPHRSURJSA-N 1 3 319.493 2.315 20 0 DEADHO CCCCCC[NH2+]C[C@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001270263345 1081489208 /nfs/dbraw/zinc/48/92/08/1081489208.db2.gz LCEYKHYKWQBGMK-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO CC1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]C/C=C/Cl)CC1 ZINC001270281066 1081492786 /nfs/dbraw/zinc/49/27/86/1081492786.db2.gz FAZSNRIQWIUSGZ-NKPGBKMFSA-N 1 3 313.873 2.051 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]C/C=C\Cl ZINC001270308184 1081499012 /nfs/dbraw/zinc/49/90/12/1081499012.db2.gz CMFZOGUSBLUHIZ-AJNJCKRNSA-N 1 3 313.873 2.194 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CN(C)C(C)C)cc1 ZINC001482367719 1081766211 /nfs/dbraw/zinc/76/62/11/1081766211.db2.gz BUCSURAQCPNINP-INIZCTEOSA-N 1 3 305.466 2.272 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C[NH2+]C(C)C)C1CCCCC1 ZINC001482413551 1081801597 /nfs/dbraw/zinc/80/15/97/1081801597.db2.gz OHVUJDSNJUCMMF-INIZCTEOSA-N 1 3 306.454 2.324 20 0 DEADHO Cc1ccc(C[NH2+]CCN(C)C(=O)CN(C)C2CCC2)cc1 ZINC001266726054 1082306579 /nfs/dbraw/zinc/30/65/79/1082306579.db2.gz FOWORZSKJDYWSO-UHFFFAOYSA-N 1 3 303.450 2.027 20 0 DEADHO [NH3+][C@H](C(=O)NC[C@@H]1NCCc2ccccc21)C1CCCCCC1 ZINC001648984340 1082396616 /nfs/dbraw/zinc/39/66/16/1082396616.db2.gz BMAKVXMKLMSYGU-ROUUACIJSA-N 1 3 315.461 2.287 20 0 DEADHO CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC001266906186 1082445663 /nfs/dbraw/zinc/44/56/63/1082445663.db2.gz OHSLMRJWJITLOE-BDJZZAGISA-N 1 3 321.509 2.486 20 0 DEADHO CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC001266906186 1082445666 /nfs/dbraw/zinc/44/56/66/1082445666.db2.gz OHSLMRJWJITLOE-BDJZZAGISA-N 1 3 321.509 2.486 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCCc1ccsc1 ZINC001266971211 1082483828 /nfs/dbraw/zinc/48/38/28/1082483828.db2.gz KFYBDIMCHMTTER-GJZGRUSLSA-N 1 3 323.506 2.117 20 0 DEADHO C[C@H](CC[NH2+]CCc1ccccc1)NC(=O)CN1CC[C@@H](C)C1 ZINC001482871213 1082537824 /nfs/dbraw/zinc/53/78/24/1082537824.db2.gz KLGJCYCAXVRKMF-IAGOWNOFSA-N 1 3 317.477 2.055 20 0 DEADHO CCN(CCNC/C=C/Cl)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001482961024 1082580860 /nfs/dbraw/zinc/58/08/60/1082580860.db2.gz XXABKQIFELTGJE-VMPITWQZSA-N 1 3 315.889 2.297 20 0 DEADHO CN(C)C1(C(=O)NC/C=C/C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCC1 ZINC001483019253 1082626314 /nfs/dbraw/zinc/62/63/14/1082626314.db2.gz WWILCDDSRVRUSF-JUAGGHJOSA-N 1 3 319.493 2.169 20 0 DEADHO CC[C@H](C(=O)NC/C=C/C[NH2+][C@@H](C)c1cccc(F)c1)N(C)C ZINC001483084008 1082696926 /nfs/dbraw/zinc/69/69/26/1082696926.db2.gz UQPLPRQLDSRVLM-PRDNVKDRSA-N 1 3 321.440 2.489 20 0 DEADHO CC[C@@H](C)C[NH2+]CC1CC(NC(=O)CN(C)CC(C)(C)C)C1 ZINC001409295928 1082748150 /nfs/dbraw/zinc/74/81/50/1082748150.db2.gz IPZABXLJWCZNMX-QQFBHYJXSA-N 1 3 311.514 2.495 20 0 DEADHO CC(C)(C(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCF)N1CCCCC1 ZINC001272261926 1082843256 /nfs/dbraw/zinc/84/32/56/1082843256.db2.gz MBEPAPKMTKMAAX-CABCVRRESA-N 1 3 313.461 2.095 20 0 DEADHO C[C@@H]([NH2+]CC1CC(C)(C)C1)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001409359104 1082844074 /nfs/dbraw/zinc/84/40/74/1082844074.db2.gz JTDRDSOKYZUENQ-KGLIPLIRSA-N 1 3 309.498 2.390 20 0 DEADHO C[C@H](NCc1ccns1)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001409472798 1082907940 /nfs/dbraw/zinc/90/79/40/1082907940.db2.gz NXPYAQNNEVOLPN-KBPBESRZSA-N 1 3 324.494 2.002 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1cccc(C)c1)N(C)C ZINC001483239975 1083051598 /nfs/dbraw/zinc/05/15/98/1083051598.db2.gz KAWLRQJWILLJFB-YQQAZPJKSA-N 1 3 305.466 2.491 20 0 DEADHO C[C@@H](CN[C@@H](C)c1ccccc1F)NC(=O)C1CC[NH+](C)CC1 ZINC001483264085 1083063767 /nfs/dbraw/zinc/06/37/67/1083063767.db2.gz QVWHZGALIXWOJO-KBPBESRZSA-N 1 3 321.440 2.323 20 0 DEADHO Cn1cc(CN2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c(C(F)(F)F)n1 ZINC001276421098 1083424297 /nfs/dbraw/zinc/42/42/97/1083424297.db2.gz TZUQBCGXMACQTR-TXEJJXNPSA-N 1 3 316.371 2.213 20 0 DEADHO Cn1cc(CN2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c(C(F)(F)F)n1 ZINC001276421098 1083424303 /nfs/dbraw/zinc/42/43/03/1083424303.db2.gz TZUQBCGXMACQTR-TXEJJXNPSA-N 1 3 316.371 2.213 20 0 DEADHO C[C@@H](C(=O)N1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@H]1C)[NH+](C)C ZINC001413220691 1083448326 /nfs/dbraw/zinc/44/83/26/1083448326.db2.gz DAFVACGXLSLXPA-NXOAAHMSSA-N 1 3 317.477 2.446 20 0 DEADHO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C(C)(C)C(C)(C)N)CC1=O ZINC001254235622 1083709336 /nfs/dbraw/zinc/70/93/36/1083709336.db2.gz AOBLKQZKBNSXEN-LLVKDONJSA-N 1 3 313.442 2.018 20 0 DEADHO CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(-n3nccn3)cc1)C2 ZINC001277254006 1083873439 /nfs/dbraw/zinc/87/34/39/1083873439.db2.gz MFOFJRPIBVYGLS-GOSISDBHSA-N 1 3 311.433 2.185 20 0 DEADHO CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(-n3nccn3)cc1)C2 ZINC001277254006 1083873453 /nfs/dbraw/zinc/87/34/53/1083873453.db2.gz MFOFJRPIBVYGLS-GOSISDBHSA-N 1 3 311.433 2.185 20 0 DEADHO CC/C=C\CCN1CC2(C[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001277530286 1084022175 /nfs/dbraw/zinc/02/21/75/1084022175.db2.gz ZZJBHQUSGZANPZ-KEGWNNHHSA-N 1 3 319.493 2.217 20 0 DEADHO CN1CCN(C(=O)[C@@H]2[NH2+]CC[C@@H]3CCCC[C@@H]23)CCC1(C)C ZINC001649044383 1084025722 /nfs/dbraw/zinc/02/57/22/1084025722.db2.gz QCPKSBAGIHIIEQ-ARFHVFGLSA-N 1 3 307.482 2.097 20 0 DEADHO Cn1cncc1N1CCC[C@@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001277769486 1084139348 /nfs/dbraw/zinc/13/93/48/1084139348.db2.gz FTQWSIJSPRPZHS-KRWDZBQOSA-N 1 3 304.438 2.034 20 0 DEADHO Cn1cncc1N1CCC[C@@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001277769486 1084139353 /nfs/dbraw/zinc/13/93/53/1084139353.db2.gz FTQWSIJSPRPZHS-KRWDZBQOSA-N 1 3 304.438 2.034 20 0 DEADHO CN(C)C1(C(=O)N2CCCC[C@@H]2C[NH2+]C/C=C/Cl)CCC1 ZINC001491251303 1084181923 /nfs/dbraw/zinc/18/19/23/1084181923.db2.gz LLQZAVZKQLJTDY-OAUONFCTSA-N 1 3 313.873 2.194 20 0 DEADHO COc1cccc(CN2CCC(OC3CC[NH2+]CC3)CC2)c1N ZINC001235294863 1084375094 /nfs/dbraw/zinc/37/50/94/1084375094.db2.gz QNWIQWAQFHBIKE-UHFFFAOYSA-N 1 3 319.449 2.010 20 0 DEADHO Nc1ccc(CN2CCC(OC3CC[NH2+]CC3)CC2)cc1F ZINC001235296330 1084375934 /nfs/dbraw/zinc/37/59/34/1084375934.db2.gz WBMJTTXPDHOJBZ-UHFFFAOYSA-N 1 3 307.413 2.141 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)C[C@@H]1CCN1CCCF ZINC001235338294 1084395710 /nfs/dbraw/zinc/39/57/10/1084395710.db2.gz WFUZLXGXGYDSSV-CVEARBPZSA-N 1 3 313.461 2.142 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)C[C@@H]1CCN1CCCF ZINC001235338294 1084395718 /nfs/dbraw/zinc/39/57/18/1084395718.db2.gz WFUZLXGXGYDSSV-CVEARBPZSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@H]1CN(CC[C@H]2COC(C)(C)[NH2+]2)CCN1Cc1ccccc1 ZINC001236071264 1084603048 /nfs/dbraw/zinc/60/30/48/1084603048.db2.gz HUZXQXCKFFCLDP-WMZOPIPTSA-N 1 3 317.477 2.307 20 0 DEADHO C[C@H]1CNCC(F)(F)[C@H]1C[N@@H+]1CCNC[C@@H]1c1ccccc1 ZINC001236146869 1084621845 /nfs/dbraw/zinc/62/18/45/1084621845.db2.gz ANPCNWJXZCLRSH-CWRNSKLLSA-N 1 3 309.404 2.124 20 0 DEADHO C[C@H]1CNCC(F)(F)[C@H]1C[N@H+]1CCNC[C@@H]1c1ccccc1 ZINC001236146869 1084621851 /nfs/dbraw/zinc/62/18/51/1084621851.db2.gz ANPCNWJXZCLRSH-CWRNSKLLSA-N 1 3 309.404 2.124 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC001486218867 1085151530 /nfs/dbraw/zinc/15/15/30/1085151530.db2.gz AOZSNGAAGRWBMJ-GDBMZVCRSA-N 1 3 323.506 2.463 20 0 DEADHO CN(C)C1(C(=O)N2C[C@@H]([NH2+]C/C=C\Cl)C(C)(C)C2)CCC1 ZINC001486234282 1085173241 /nfs/dbraw/zinc/17/32/41/1085173241.db2.gz INTFXPQSWPHDNU-OYVUYXNMSA-N 1 3 313.873 2.050 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CC1)C(C)(C)C ZINC001486398709 1085261967 /nfs/dbraw/zinc/26/19/67/1085261967.db2.gz LQFJYRZZRGOPCJ-JKSUJKDBSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H](NC(=O)CN1CC[C@H](C)C1)C1CC[NH+](CC2CCC2)CC1 ZINC001486440661 1085324911 /nfs/dbraw/zinc/32/49/11/1085324911.db2.gz WXPQBEQMCGIUKI-JKSUJKDBSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2C[N@H+](C)CC2CCC2)C1 ZINC000960861722 1085485842 /nfs/dbraw/zinc/48/58/42/1085485842.db2.gz HQPPODCKHKSECH-DOTOQJQBSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CCC2)C1 ZINC000960861722 1085485848 /nfs/dbraw/zinc/48/58/48/1085485848.db2.gz HQPPODCKHKSECH-DOTOQJQBSA-N 1 3 307.482 2.051 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC1 ZINC000961031751 1085546066 /nfs/dbraw/zinc/54/60/66/1085546066.db2.gz ONZGJXJZHIAIPM-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC1 ZINC000961031751 1085546073 /nfs/dbraw/zinc/54/60/73/1085546073.db2.gz ONZGJXJZHIAIPM-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO CCCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961237045 1085650138 /nfs/dbraw/zinc/65/01/38/1085650138.db2.gz ZYPCFIKUPGOPPO-CVEARBPZSA-N 1 3 318.465 2.313 20 0 DEADHO CCCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961237045 1085650140 /nfs/dbraw/zinc/65/01/40/1085650140.db2.gz ZYPCFIKUPGOPPO-CVEARBPZSA-N 1 3 318.465 2.313 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@@H](C)c1ccccc1C ZINC001128533069 1086186831 /nfs/dbraw/zinc/18/68/31/1086186831.db2.gz FVJVGWAAZRULGB-RDJZCZTQSA-N 1 3 323.456 2.442 20 0 DEADHO CCc1ccc(C[NH2+]CCNC(=O)[C@@H](F)CN(CC)CC)cc1 ZINC001128533693 1086189442 /nfs/dbraw/zinc/18/94/42/1086189442.db2.gz QBJCJNOQPNOAEX-KRWDZBQOSA-N 1 3 323.456 2.135 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963315844 1086405640 /nfs/dbraw/zinc/40/56/40/1086405640.db2.gz ZWZNVIXRVOBRBB-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963315844 1086405646 /nfs/dbraw/zinc/40/56/46/1086405646.db2.gz ZWZNVIXRVOBRBB-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C ZINC001080021482 1088565308 /nfs/dbraw/zinc/56/53/08/1088565308.db2.gz BLMUPMXDFBBWTN-KBAYOESNSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C ZINC001080021482 1088565323 /nfs/dbraw/zinc/56/53/23/1088565323.db2.gz BLMUPMXDFBBWTN-KBAYOESNSA-N 1 3 321.509 2.343 20 0 DEADHO CCC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)CN3CC[C@H](C)C3)[C@@H]2C1 ZINC001114831839 1088918661 /nfs/dbraw/zinc/91/86/61/1088918661.db2.gz GRTDQOIWLMMUGJ-YXVXOVKNSA-N 1 3 319.493 2.121 20 0 DEADHO CCC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)CN3CC[C@H](C)C3)[C@@H]2C1 ZINC001114831839 1088918675 /nfs/dbraw/zinc/91/86/75/1088918675.db2.gz GRTDQOIWLMMUGJ-YXVXOVKNSA-N 1 3 319.493 2.121 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](CCCC(C)(C)C)C[C@H]32)C1 ZINC001114832448 1088934773 /nfs/dbraw/zinc/93/47/73/1088934773.db2.gz RMCQIENMQXJTPJ-LISAXSMJSA-N 1 3 321.509 2.201 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCCC(C)(C)C)C[C@H]32)C1 ZINC001114832448 1088934788 /nfs/dbraw/zinc/93/47/88/1088934788.db2.gz RMCQIENMQXJTPJ-LISAXSMJSA-N 1 3 321.509 2.201 20 0 DEADHO CC(C)[NH2+]C[C@H]1c2ccccc2CCN1C(=O)Cc1c[nH]cn1 ZINC000958803112 1089193333 /nfs/dbraw/zinc/19/33/33/1089193333.db2.gz MBWMNJPGSLAUOB-KRWDZBQOSA-N 1 3 312.417 2.076 20 0 DEADHO CC[C@@H](C(=O)N1CCc2ccccc2[C@@H]1C[NH2+]C(C)C)N(C)C ZINC000958803222 1089193611 /nfs/dbraw/zinc/19/36/11/1089193611.db2.gz PABHZKLCMFFNII-ROUUACIJSA-N 1 3 317.477 2.451 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccsc1 ZINC000959921928 1089849512 /nfs/dbraw/zinc/84/95/12/1089849512.db2.gz AHDMVTPVIUFYOI-HOTGVXAUSA-N 1 3 321.490 2.313 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CC1=CCCCC1 ZINC001082740983 1090066875 /nfs/dbraw/zinc/06/68/75/1090066875.db2.gz MGKGQCUEHFCVDN-SOLBZPMBSA-N 1 3 319.493 2.408 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001084700973 1090400931 /nfs/dbraw/zinc/40/09/31/1090400931.db2.gz IUXQMDSEUXVCQJ-RCCFBDPRSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001084700973 1090400934 /nfs/dbraw/zinc/40/09/34/1090400934.db2.gz IUXQMDSEUXVCQJ-RCCFBDPRSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2csc(C)c2)C1)N(C)C ZINC001410233380 1090454056 /nfs/dbraw/zinc/45/40/56/1090454056.db2.gz WLALCCWOUIOYSB-BPUTZDHNSA-N 1 3 323.506 2.381 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@H]2CCN(C(C)C)C[C@H]21)[NH+]1CCCCC1 ZINC001084853490 1090476258 /nfs/dbraw/zinc/47/62/58/1090476258.db2.gz UJAREZHZVGSPHM-KZNAEPCWSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]21 ZINC001084964594 1090550153 /nfs/dbraw/zinc/55/01/53/1090550153.db2.gz IKFCHJXXKJXGFF-SQNIBIBYSA-N 1 3 321.509 2.462 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]21 ZINC001084964594 1090550156 /nfs/dbraw/zinc/55/01/56/1090550156.db2.gz IKFCHJXXKJXGFF-SQNIBIBYSA-N 1 3 321.509 2.462 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CCC3CC3)[C@H]2C1)N(C)C ZINC001084964489 1090550801 /nfs/dbraw/zinc/55/08/01/1090550801.db2.gz BEUHNVIANFBKDS-SQNIBIBYSA-N 1 3 321.509 2.296 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CCC3CC3)[C@H]2C1)N(C)C ZINC001084964489 1090550804 /nfs/dbraw/zinc/55/08/04/1090550804.db2.gz BEUHNVIANFBKDS-SQNIBIBYSA-N 1 3 321.509 2.296 20 0 DEADHO CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@H]21 ZINC001085049757 1090617333 /nfs/dbraw/zinc/61/73/33/1090617333.db2.gz XMPSKTNJJMIVMM-IKGGRYGDSA-N 1 3 307.482 2.192 20 0 DEADHO CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@H]21 ZINC001085049757 1090617336 /nfs/dbraw/zinc/61/73/36/1090617336.db2.gz XMPSKTNJJMIVMM-IKGGRYGDSA-N 1 3 307.482 2.192 20 0 DEADHO CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)N3CCCCC3)C[C@@H]21 ZINC001085101545 1090645503 /nfs/dbraw/zinc/64/55/03/1090645503.db2.gz PVCVJDPWRXUCHJ-SQNIBIBYSA-N 1 3 321.509 2.440 20 0 DEADHO CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)N3CCCCC3)C[C@@H]21 ZINC001085101545 1090645506 /nfs/dbraw/zinc/64/55/06/1090645506.db2.gz PVCVJDPWRXUCHJ-SQNIBIBYSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@H]([NH2+]C/C=C/CNC(=O)CN1CC[C@@H](C)C1)c1ccccc1 ZINC001274370615 1091209988 /nfs/dbraw/zinc/20/99/88/1091209988.db2.gz URJMCEYUKMSVLE-NGHLMZTLSA-N 1 3 315.461 2.351 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C1CC[NH+](CC(C)C)CC1 ZINC001411231941 1091446348 /nfs/dbraw/zinc/44/63/48/1091446348.db2.gz DMFHHEZEOCKOAR-CYBMUJFWSA-N 1 3 306.454 2.133 20 0 DEADHO O=C1CC[C@@H](CN[C@@]23CC[C@@]([NH2+]C4CCCC4)(C2)CCC3)N1 ZINC001275187304 1091608684 /nfs/dbraw/zinc/60/86/84/1091608684.db2.gz IAEJIVQPURATBP-RYQLBKOJSA-N 1 3 305.466 2.232 20 0 DEADHO C[NH+](C)CCN1CCC2(CN(Cc3ccc4ccccc4n3)C2)C1 ZINC001276170177 1091631865 /nfs/dbraw/zinc/63/18/65/1091631865.db2.gz RKQPQSCKHROFII-UHFFFAOYSA-N 1 3 324.472 2.304 20 0 DEADHO c1c[nH]c(C[N@@H+]2CC[C@H]3CN(Cc4ncco4)C[C@H]3CC2)c1 ZINC001276190472 1091675443 /nfs/dbraw/zinc/67/54/43/1091675443.db2.gz WVIIQUMJYIYMRK-GASCZTMLSA-N 1 3 300.406 2.347 20 0 DEADHO c1c[nH]c(C[N@H+]2CC[C@H]3CN(Cc4ncco4)C[C@H]3CC2)c1 ZINC001276190472 1091675448 /nfs/dbraw/zinc/67/54/48/1091675448.db2.gz WVIIQUMJYIYMRK-GASCZTMLSA-N 1 3 300.406 2.347 20 0 DEADHO C[C@@H]1C[C@H](NCCc2cc(O)ccc2Br)CC[NH2+]1 ZINC001246502797 1091723417 /nfs/dbraw/zinc/72/34/17/1091723417.db2.gz FYOMSDOVVRDPHE-ZYHUDNBSSA-N 1 3 313.239 2.427 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CCc2cc(O)ccc2Br)CCN1 ZINC001246502797 1091723430 /nfs/dbraw/zinc/72/34/30/1091723430.db2.gz FYOMSDOVVRDPHE-ZYHUDNBSSA-N 1 3 313.239 2.427 20 0 DEADHO CC/C=C/CC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001671086643 1091764475 /nfs/dbraw/zinc/76/44/75/1091764475.db2.gz YVKYFCVDRBCEQG-WHLIDYPQSA-N 1 3 316.449 2.233 20 0 DEADHO CC/C=C/CC[N@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001671086643 1091764486 /nfs/dbraw/zinc/76/44/86/1091764486.db2.gz YVKYFCVDRBCEQG-WHLIDYPQSA-N 1 3 316.449 2.233 20 0 DEADHO CN(C)CCN1CCC2(CC[NH+](C[C@@H]3CC=CCC3)CC2)C1=O ZINC001273516830 1091898696 /nfs/dbraw/zinc/89/86/96/1091898696.db2.gz XIEJHWGOETZQGJ-QGZVFWFLSA-N 1 3 319.493 2.219 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)[C@@H]2CCC[N@H+](CC3CCC3)CC2)C1 ZINC000948767212 1091925157 /nfs/dbraw/zinc/92/51/57/1091925157.db2.gz SHUULAZCRDPAQV-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)[C@@H]2CCC[N@@H+](CC3CCC3)CC2)C1 ZINC000948767212 1091925162 /nfs/dbraw/zinc/92/51/62/1091925162.db2.gz SHUULAZCRDPAQV-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H](F)CC[N@@H+]1CCC[C@@H](N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000948813188 1091951729 /nfs/dbraw/zinc/95/17/29/1091951729.db2.gz WEBQUQPDIKJMPP-UKRRQHHQSA-N 1 3 310.417 2.013 20 0 DEADHO C[C@@H](F)CC[N@H+]1CCC[C@@H](N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000948813188 1091951735 /nfs/dbraw/zinc/95/17/35/1091951735.db2.gz WEBQUQPDIKJMPP-UKRRQHHQSA-N 1 3 310.417 2.013 20 0 DEADHO CCN(CC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)CN(C)C(C)C ZINC001273772027 1092043422 /nfs/dbraw/zinc/04/34/22/1092043422.db2.gz PMHZMIUPIFDLBN-IXDOHACOSA-N 1 3 309.498 2.201 20 0 DEADHO CCN(CC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)CN(C)C(C)C ZINC001273772029 1092043882 /nfs/dbraw/zinc/04/38/82/1092043882.db2.gz PMHZMIUPIFDLBN-ZACQAIPSSA-N 1 3 309.498 2.201 20 0 DEADHO CN(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(O)cc1)C2 ZINC001275893822 1092277490 /nfs/dbraw/zinc/27/74/90/1092277490.db2.gz DYXIWPGBKGDPLY-LJQANCHMSA-N 1 3 317.477 2.242 20 0 DEADHO CN(C)CC[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(O)cc1)C2 ZINC001275893822 1092277503 /nfs/dbraw/zinc/27/75/03/1092277503.db2.gz DYXIWPGBKGDPLY-LJQANCHMSA-N 1 3 317.477 2.242 20 0 DEADHO CN(C)CC[NH+]1CC2(C1)CCN(Cc1c(F)cccc1F)CC2 ZINC001275925705 1092321350 /nfs/dbraw/zinc/32/13/50/1092321350.db2.gz OGKJRNJAWGQIPN-UHFFFAOYSA-N 1 3 323.431 2.424 20 0 DEADHO CN(C)CC[N@@H+]1CCC2(CN(Cc3cccc4cnccc43)C2)C1 ZINC001275960438 1092380370 /nfs/dbraw/zinc/38/03/70/1092380370.db2.gz VWNYQVUZIQLAOO-UHFFFAOYSA-N 1 3 324.472 2.304 20 0 DEADHO CN(C)CC[N@H+]1CCC2(CN(Cc3cccc4cnccc43)C2)C1 ZINC001275960438 1092380382 /nfs/dbraw/zinc/38/03/82/1092380382.db2.gz VWNYQVUZIQLAOO-UHFFFAOYSA-N 1 3 324.472 2.304 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN1CCC1CCCCC1 ZINC001420872075 1171303943 /nfs/dbraw/zinc/30/39/43/1171303943.db2.gz LPKMLPZGEYZVND-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1CCC1CCCCC1 ZINC001420872075 1171303951 /nfs/dbraw/zinc/30/39/51/1171303951.db2.gz LPKMLPZGEYZVND-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@H]1C[C@H](NCc2ccccc2Cl)CN1C(=O)CC[NH+](C)C ZINC001369396947 1148927065 /nfs/dbraw/zinc/92/70/65/1148927065.db2.gz DXQLPBCGDMMQDU-HIFRSBDPSA-N 1 3 323.868 2.371 20 0 DEADHO Fc1cccc2c1CC[C@]21CCC[N@H+](CC[C@@H]2CNCCO2)C1 ZINC001237189005 1138523937 /nfs/dbraw/zinc/52/39/37/1138523937.db2.gz SPAFXFOZDHNEFV-BEFAXECRSA-N 1 3 318.436 2.484 20 0 DEADHO Fc1cccc2c1CC[C@]21CCC[N@@H+](CC[C@@H]2CNCCO2)C1 ZINC001237189005 1138523946 /nfs/dbraw/zinc/52/39/46/1138523946.db2.gz SPAFXFOZDHNEFV-BEFAXECRSA-N 1 3 318.436 2.484 20 0 DEADHO CCN(C(=O)[C@@H]1CC12CN(CC1CC[NH+](CC)CC1)C2)C(C)C ZINC001278139857 1138778408 /nfs/dbraw/zinc/77/84/08/1138778408.db2.gz OZQBYVRWJNAYCO-KRWDZBQOSA-N 1 3 321.509 2.297 20 0 DEADHO c1c[nH]c(CN2CC3(C2)CCN(CC[NH+]2CCCCC2)CC3)c1 ZINC001278152813 1138802702 /nfs/dbraw/zinc/80/27/02/1138802702.db2.gz AAXZYLVYIPVIOQ-UHFFFAOYSA-N 1 3 316.493 2.398 20 0 DEADHO O=C(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)Nc1ccc(Cl)cc1 ZINC001239217818 1138991819 /nfs/dbraw/zinc/99/18/19/1138991819.db2.gz UOVSRZCPLWOOIL-AWEZNQCLSA-N 1 3 322.840 2.336 20 0 DEADHO CN(C)c1ccnc(-c2ccc3c(c2)C2(CC[NH2+]CC2)C(=O)N3)c1 ZINC001240813421 1139625314 /nfs/dbraw/zinc/62/53/14/1139625314.db2.gz PMXAYKBVSPCKQM-UHFFFAOYSA-N 1 3 322.412 2.388 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+]CCC(F)(F)F ZINC001319224757 1140529873 /nfs/dbraw/zinc/52/98/73/1140529873.db2.gz JOGCSUXAZWPFOJ-LBPRGKRZSA-N 1 3 323.403 2.155 20 0 DEADHO CCCC[C@H](CC)COC[C@@H](O)CN1CCC[C@H]([NH3+])CC1 ZINC001246018169 1140846431 /nfs/dbraw/zinc/84/64/31/1140846431.db2.gz VAHFPADWIDIFRO-ULQDDVLXSA-N 1 3 300.487 2.394 20 0 DEADHO CCCC[C@@H](CC)COC[C@H](O)CN1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246046206 1140852718 /nfs/dbraw/zinc/85/27/18/1140852718.db2.gz NAMHWZZGLHKKJR-UYTYNIKBSA-N 1 3 312.498 2.249 20 0 DEADHO CCCC[C@H](CC)COC[C@H](O)CN1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246045809 1140853168 /nfs/dbraw/zinc/85/31/68/1140853168.db2.gz NAMHWZZGLHKKJR-AVEIZBFRSA-N 1 3 312.498 2.249 20 0 DEADHO C[C@@H]1C[NH2+]C[C@@H](CN[C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001246100118 1140860864 /nfs/dbraw/zinc/86/08/64/1140860864.db2.gz NQKBCTJFNUEDRH-XYJFISCASA-N 1 3 315.461 2.126 20 0 DEADHO C[C@@H]1C[C@@H](N[C@@H]2CCCN(C(=O)c3ccccc3)C2)CC[NH2+]1 ZINC001246238974 1140876708 /nfs/dbraw/zinc/87/67/08/1140876708.db2.gz BRMBXXNGOVJNCU-HYVNUMGLSA-N 1 3 301.434 2.021 20 0 DEADHO CC(C)(C)[C@@H]1C[C@@H](NC[C@@H]2Cc3ccccc3CN2)CC[NH2+]1 ZINC001246280526 1140880579 /nfs/dbraw/zinc/88/05/79/1140880579.db2.gz NRQCNQXGODHRDN-BZSNNMDCSA-N 1 3 301.478 2.457 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC(=O)N(Cc3ccccc3)C2)CCN1 ZINC001246327063 1140884447 /nfs/dbraw/zinc/88/44/47/1140884447.db2.gz HQQZUFXGHJQUGR-KBAYOESNSA-N 1 3 315.461 2.155 20 0 DEADHO COc1cccc2c1C[C@H](N[C@@]13CC[C@@]([NH3+])(C1)CCC3)CO2 ZINC001246342220 1140886086 /nfs/dbraw/zinc/88/60/86/1140886086.db2.gz RYZJTJDLMMVHKG-VHSSKADRSA-N 1 3 302.418 2.392 20 0 DEADHO COc1cccc(CN2CCC([NH2+][C@@H]3CC[C@@H](C)NC3)CC2)c1 ZINC001246348306 1140886658 /nfs/dbraw/zinc/88/66/58/1140886658.db2.gz FJFFBVUIKPKGBM-CRAIPNDOSA-N 1 3 317.477 2.390 20 0 DEADHO COc1cccc(CN2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC001246359181 1140888417 /nfs/dbraw/zinc/88/84/17/1140888417.db2.gz FNGHFALSANWKPJ-KTGAGVNESA-N 1 3 315.461 2.142 20 0 DEADHO COc1ccc(CC2(C[NH2+]C3CCNCC3)CCOCC2)cc1 ZINC001246403413 1140894716 /nfs/dbraw/zinc/89/47/16/1140894716.db2.gz DSYHAUNEVRQCCC-UHFFFAOYSA-N 1 3 318.461 2.376 20 0 DEADHO C[C@H](CC(F)(F)F)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001246521426 1140932916 /nfs/dbraw/zinc/93/29/16/1140932916.db2.gz VHCIJNQQMUAHIM-NEPJUHHUSA-N 1 3 309.376 2.037 20 0 DEADHO COC(=O)c1ccc(C[C@H](C)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001246611541 1141003676 /nfs/dbraw/zinc/00/36/76/1141003676.db2.gz UWPLGHIFWYNVPL-KXBFYZLASA-N 1 3 316.445 2.480 20 0 DEADHO COc1ccc(CC[C@@H](C)N2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001246612697 1141004951 /nfs/dbraw/zinc/00/49/51/1141004951.db2.gz CNPOZSHPUVHWHX-MNEFBYGVSA-N 1 3 317.477 2.042 20 0 DEADHO Cc1cc(C)cc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCCN2C)c1 ZINC001320999213 1141025884 /nfs/dbraw/zinc/02/58/84/1141025884.db2.gz SPBWHYCPZHLHIU-PYTPGESOSA-N 1 3 315.461 2.160 20 0 DEADHO CCOC(=O)c1ccc(C[C@H](C)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001246665438 1141029096 /nfs/dbraw/zinc/02/90/96/1141029096.db2.gz HIINSSHOUXCHOH-BMGDILEWSA-N 1 3 316.445 2.336 20 0 DEADHO CC[C@H](Cc1ccc2c(c1)OCO2)N1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246843680 1141082673 /nfs/dbraw/zinc/08/26/73/1141082673.db2.gz VTAMMDKUXOZHPO-BASYENTBSA-N 1 3 302.418 2.406 20 0 DEADHO Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CC[C@@]3(N)C2)CCN1 ZINC001246855267 1141089421 /nfs/dbraw/zinc/08/94/21/1141089421.db2.gz UEPXMJSDKDIKIT-UNQWWWNPSA-N 1 3 303.425 2.350 20 0 DEADHO Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2C[C@@H]3CC[C@@]3(N)C2)CCN1 ZINC001246855267 1141089429 /nfs/dbraw/zinc/08/94/29/1141089429.db2.gz UEPXMJSDKDIKIT-UNQWWWNPSA-N 1 3 303.425 2.350 20 0 DEADHO CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc1cccc(C)c1)N(C)C ZINC001321248843 1141099385 /nfs/dbraw/zinc/09/93/85/1141099385.db2.gz DPSFRIXAUMSSAN-TUYSUELWSA-N 1 3 303.450 2.097 20 0 DEADHO FC(F)(F)[C@@H]1CNCCN1[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246993448 1141228728 /nfs/dbraw/zinc/22/87/28/1141228728.db2.gz TVEMOMHFFYJUAL-ZNMIVQPWSA-N 1 3 313.367 2.316 20 0 DEADHO c1ccc2c(c1)cccc2-c1noc([C@@H]2CNCC23C[NH2+]C3)n1 ZINC001247832747 1141544778 /nfs/dbraw/zinc/54/47/78/1141544778.db2.gz YQFZFUXFFXOILA-HNNXBMFYSA-N 1 3 306.369 2.166 20 0 DEADHO Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCCN2C)cc1F ZINC001322649370 1141664973 /nfs/dbraw/zinc/66/49/73/1141664973.db2.gz WGHFZCVOXOYZQP-QGZVFWFLSA-N 1 3 321.440 2.166 20 0 DEADHO CCCCCN1CC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001323322052 1141841541 /nfs/dbraw/zinc/84/15/41/1141841541.db2.gz APQZLHDHQSRDEO-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCN2CCC2=CCCCC2)C1 ZINC001323335668 1141843261 /nfs/dbraw/zinc/84/32/61/1141843261.db2.gz NQSYUEGYYRNMLS-ZWKOTPCHSA-N 1 3 319.493 2.409 20 0 DEADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CCN2CCC2=CCCCC2)C1 ZINC001323335668 1141843262 /nfs/dbraw/zinc/84/32/62/1141843262.db2.gz NQSYUEGYYRNMLS-ZWKOTPCHSA-N 1 3 319.493 2.409 20 0 DEADHO CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001278583319 1142243262 /nfs/dbraw/zinc/24/32/62/1142243262.db2.gz YHWJSTBEDCFXPP-SJLPKXTDSA-N 1 3 309.498 2.489 20 0 DEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2cccc(F)c2)C1 ZINC001250829581 1142330019 /nfs/dbraw/zinc/33/00/19/1142330019.db2.gz QHACFZBAYYBMDW-ARFHVFGLSA-N 1 3 310.413 2.028 20 0 DEADHO CC(C)N1CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2)[C@H](C)C1 ZINC001251259310 1142412942 /nfs/dbraw/zinc/41/29/42/1142412942.db2.gz DZFDGFBDNYIKNF-NUJGCVRESA-N 1 3 306.450 2.135 20 0 DEADHO CCN(CC)C[C@H](O)C[NH2+]CCSCc1ccc(F)cc1 ZINC001253202929 1142853660 /nfs/dbraw/zinc/85/36/60/1142853660.db2.gz CKEKKSPOGUFYJZ-MRXNPFEDSA-N 1 3 314.470 2.351 20 0 DEADHO CCN(CC)C[C@H](O)C[NH2+][C@@H](c1cccc(OC)c1)C1CC1 ZINC001253217195 1142855536 /nfs/dbraw/zinc/85/55/36/1142855536.db2.gz UWLDAVYXASTCGC-SJLPKXTDSA-N 1 3 306.450 2.439 20 0 DEADHO O[C@@H](CCOCc1ccccc1)C[NH2+]CCCN1CCCC1 ZINC001253258750 1142858115 /nfs/dbraw/zinc/85/81/15/1142858115.db2.gz OHSHKNRYQXTINK-SFHVURJKSA-N 1 3 306.450 2.030 20 0 DEADHO O[C@@H](CCOCc1ccccc1)CNCCC[NH+]1CCCC1 ZINC001253258750 1142858118 /nfs/dbraw/zinc/85/81/18/1142858118.db2.gz OHSHKNRYQXTINK-SFHVURJKSA-N 1 3 306.450 2.030 20 0 DEADHO CCC[NH+](CCC)CCCN1CCN(C[C@@H](O)C(C)C)CC1 ZINC001253767268 1142917447 /nfs/dbraw/zinc/91/74/47/1142917447.db2.gz BGCBOWAMFLMGND-GOSISDBHSA-N 1 3 313.530 2.133 20 0 DEADHO C[C@@H]1CN(CC2(O)CC[NH+](Cc3ccccc3)CC2)C[C@@H]1F ZINC001254034008 1143029832 /nfs/dbraw/zinc/02/98/32/1143029832.db2.gz DJDHBLCSFNQHIB-WBVHZDCISA-N 1 3 306.425 2.303 20 0 DEADHO C[C@@H]1C[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)C[C@@H]1F ZINC001254034008 1143029838 /nfs/dbraw/zinc/02/98/38/1143029838.db2.gz DJDHBLCSFNQHIB-WBVHZDCISA-N 1 3 306.425 2.303 20 0 DEADHO C[C@@H]1C[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)C[C@@H]1F ZINC001254034008 1143029842 /nfs/dbraw/zinc/02/98/42/1143029842.db2.gz DJDHBLCSFNQHIB-WBVHZDCISA-N 1 3 306.425 2.303 20 0 DEADHO COC(=O)C[C@@H]([NH2+][C@@H]1CCCN(C)CC1)c1ccc(O)cc1 ZINC001254507412 1143153984 /nfs/dbraw/zinc/15/39/84/1143153984.db2.gz BQTITUPHNBFKBW-GDBMZVCRSA-N 1 3 306.406 2.070 20 0 DEADHO CC(C)Oc1ncnc2c1CC[N@@H+]([C@@H]1CCCN(C)CC1)CC2 ZINC001254518082 1143181233 /nfs/dbraw/zinc/18/12/33/1143181233.db2.gz KHINSVFTSSEFSG-OAHLLOKOSA-N 1 3 318.465 2.149 20 0 DEADHO CC(C)Oc1ncnc2c1CC[N@H+]([C@@H]1CCCN(C)CC1)CC2 ZINC001254518082 1143181246 /nfs/dbraw/zinc/18/12/46/1143181246.db2.gz KHINSVFTSSEFSG-OAHLLOKOSA-N 1 3 318.465 2.149 20 0 DEADHO C[C@H](CN)C[N@H+](C)[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254895766 1143355381 /nfs/dbraw/zinc/35/53/81/1143355381.db2.gz ZUWZLCZHBYIISI-APIJFGDWSA-N 1 3 311.470 2.159 20 0 DEADHO C[C@H](CN)C[N@@H+](C)[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254895766 1143355388 /nfs/dbraw/zinc/35/53/88/1143355388.db2.gz ZUWZLCZHBYIISI-APIJFGDWSA-N 1 3 311.470 2.159 20 0 DEADHO CC1(C)C(=O)NC[C@H]1N[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255397270 1143594073 /nfs/dbraw/zinc/59/40/73/1143594073.db2.gz NXVHIIARPAQBQY-DLBZAZTESA-N 1 3 315.461 2.155 20 0 DEADHO CC1(C)C(=O)NC[C@H]1N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255397270 1143594087 /nfs/dbraw/zinc/59/40/87/1143594087.db2.gz NXVHIIARPAQBQY-DLBZAZTESA-N 1 3 315.461 2.155 20 0 DEADHO CN1CC[C@@H]2C[N@@H+]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C[C@@H]2C1 ZINC001255911323 1143814707 /nfs/dbraw/zinc/81/47/07/1143814707.db2.gz KOWWGFZKICKEQN-OWCLPIDISA-N 1 3 323.481 2.269 20 0 DEADHO CN1CC[C@@H]2C[N@H+]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C[C@@H]2C1 ZINC001255911323 1143814708 /nfs/dbraw/zinc/81/47/08/1143814708.db2.gz KOWWGFZKICKEQN-OWCLPIDISA-N 1 3 323.481 2.269 20 0 DEADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CCc2c(ccc(=O)n2CC)C1 ZINC001255943521 1143815942 /nfs/dbraw/zinc/81/59/42/1143815942.db2.gz NTWHGLUEUNNZSR-RDJZCZTQSA-N 1 3 319.493 2.436 20 0 DEADHO CCN(CC)CC[C@H](C)[NH2+]C1CCN(C(=O)C2CCC2)CC1 ZINC001255949856 1143816293 /nfs/dbraw/zinc/81/62/93/1143816293.db2.gz BVLHSAWAYMVNFT-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CC[NH+](CC)CC[C@H](C)N1CCC(C)(N2CCOCC2)CC1 ZINC001255963164 1143817374 /nfs/dbraw/zinc/81/73/74/1143817374.db2.gz DPALOOFIFJYXLI-KRWDZBQOSA-N 1 3 311.514 2.294 20 0 DEADHO C[C@@H]1C[C@H](N[C@H]2CNC(=O)C2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001256536051 1143852190 /nfs/dbraw/zinc/85/21/90/1143852190.db2.gz FBHXJHAYSULTFE-OIISXLGYSA-N 1 3 315.461 2.154 20 0 DEADHO C[C@@H]1C[C@H](N[C@H]2CNC(=O)C2(C)C)CC[N@H+]1Cc1ccccc1 ZINC001256536051 1143852191 /nfs/dbraw/zinc/85/21/91/1143852191.db2.gz FBHXJHAYSULTFE-OIISXLGYSA-N 1 3 315.461 2.154 20 0 DEADHO CC(C)(C)N1CCC([NH2+][C@@H](CO)COCc2ccccc2)CC1 ZINC001256563622 1143854269 /nfs/dbraw/zinc/85/42/69/1143854269.db2.gz GHZDGPFCZMMYNG-SFHVURJKSA-N 1 3 320.477 2.417 20 0 DEADHO O[C@H](CNC1CC[NH+](Cc2ccccc2)CC1)c1cccnc1 ZINC001256599815 1143856864 /nfs/dbraw/zinc/85/68/64/1143856864.db2.gz DOQNIXIZEGOHBO-LJQANCHMSA-N 1 3 311.429 2.369 20 0 DEADHO COc1cccc([C@@H](CCO)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC001256614230 1143857489 /nfs/dbraw/zinc/85/74/89/1143857489.db2.gz JZRRZDVRJYDVMF-YCXXCVGLSA-N 1 3 304.434 2.334 20 0 DEADHO NC(=[NH2+])N(c1ccc(F)cc1)C1CCC(N2CCOCC2)CC1 ZINC001256679208 1143861830 /nfs/dbraw/zinc/86/18/30/1143861830.db2.gz FSGJFOKGFSFQDW-UHFFFAOYSA-N 1 3 320.412 2.169 20 0 DEADHO COc1ccc(NC2CCC(N3CCOCC3)CC2)cc1C[NH3+] ZINC001256688387 1143862412 /nfs/dbraw/zinc/86/24/12/1143862412.db2.gz XKMCKRRRWIFESV-UHFFFAOYSA-N 1 3 319.449 2.209 20 0 DEADHO CC(C)(C)N1CC[NH+](C2CCC(N3CCOCC3)CC2)CC1 ZINC001256698513 1143863622 /nfs/dbraw/zinc/86/36/22/1143863622.db2.gz OFRABYRWVCJMET-UHFFFAOYSA-N 1 3 309.498 2.046 20 0 DEADHO CC(C)[C@@H]1C[C@H](NC2(C[NH3+])CC2)CCN1C(=O)OC(C)(C)C ZINC001257188769 1143892188 /nfs/dbraw/zinc/89/21/88/1143892188.db2.gz XJISHZHQFYMWNK-KGLIPLIRSA-N 1 3 311.470 2.491 20 0 DEADHO Cc1cnc(O[C@H]2CC[N@@H+](C3CCN(C(C)C)CC3)C2)nc1 ZINC001257223163 1143894756 /nfs/dbraw/zinc/89/47/56/1143894756.db2.gz LECHRIBMDPSXMQ-INIZCTEOSA-N 1 3 304.438 2.111 20 0 DEADHO Cc1cnc(O[C@H]2CC[N@H+](C3CCN(C(C)C)CC3)C2)nc1 ZINC001257223163 1143894757 /nfs/dbraw/zinc/89/47/57/1143894757.db2.gz LECHRIBMDPSXMQ-INIZCTEOSA-N 1 3 304.438 2.111 20 0 DEADHO COc1ccnc(O[C@H]2CC[N@@H+](C3CCN(C(C)C)CC3)C2)c1 ZINC001257222946 1143894777 /nfs/dbraw/zinc/89/47/77/1143894777.db2.gz HNZXTTPHWQWJBR-KRWDZBQOSA-N 1 3 319.449 2.416 20 0 DEADHO COc1ccnc(O[C@H]2CC[N@H+](C3CCN(C(C)C)CC3)C2)c1 ZINC001257222946 1143894779 /nfs/dbraw/zinc/89/47/79/1143894779.db2.gz HNZXTTPHWQWJBR-KRWDZBQOSA-N 1 3 319.449 2.416 20 0 DEADHO CC(C)=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001279007317 1143896759 /nfs/dbraw/zinc/89/67/59/1143896759.db2.gz XVVJWNWOELJZAR-HZPDHXFCSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)CN1CCC([NH2+][C@@H](CCO)c2ccc(N)cc2)CC1 ZINC001258008411 1143964628 /nfs/dbraw/zinc/96/46/28/1143964628.db2.gz RBTYWOXRUZQBSD-SFHVURJKSA-N 1 3 305.466 2.402 20 0 DEADHO c1nn(C2CC[NH+](CCc3ccccc3)CC2)c2c1CNCC2 ZINC001258141600 1143977794 /nfs/dbraw/zinc/97/77/94/1143977794.db2.gz CROPSSNSDWLZRT-UHFFFAOYSA-N 1 3 310.445 2.408 20 0 DEADHO C[C@@H](Cc1cccnc1)N[C@@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001258617551 1144026000 /nfs/dbraw/zinc/02/60/00/1144026000.db2.gz SMCQLGOGPYNSBB-DZGCQCFKSA-N 1 3 322.453 2.192 20 0 DEADHO CCC[NH+]1CCC(N2CCC(N3CC(F)(F)C3)CC2)CC1 ZINC001258775556 1144040841 /nfs/dbraw/zinc/04/08/41/1144040841.db2.gz SZUWEUGCRLYZKC-UHFFFAOYSA-N 1 3 301.425 2.276 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CCCF)C1)N(C)C ZINC001264118127 1144473312 /nfs/dbraw/zinc/47/33/12/1144473312.db2.gz AJPFNDKIIXULTH-CVEARBPZSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)[C@H](C(=O)N1CCCCC[C@H]([NH2+]CCCF)C1)N(C)C ZINC001264125034 1144475987 /nfs/dbraw/zinc/47/59/87/1144475987.db2.gz AJPFNDKIIXULTH-JKSUJKDBSA-N 1 3 315.477 2.293 20 0 DEADHO CN1CCC[C@H]1C(=O)NCCC[N@H+](CCC(F)(F)F)C1CC1 ZINC001265156075 1144656644 /nfs/dbraw/zinc/65/66/44/1144656644.db2.gz MYMURBTZHKFHSZ-ZDUSSCGKSA-N 1 3 321.387 2.004 20 0 DEADHO CN1CCC[C@H]1C(=O)NCCC[N@@H+](CCC(F)(F)F)C1CC1 ZINC001265156075 1144656645 /nfs/dbraw/zinc/65/66/45/1144656645.db2.gz MYMURBTZHKFHSZ-ZDUSSCGKSA-N 1 3 321.387 2.004 20 0 DEADHO CCCCC[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001266076050 1144803106 /nfs/dbraw/zinc/80/31/06/1144803106.db2.gz VGHHJKAEMSNRIO-LSDHHAIUSA-N 1 3 306.454 2.468 20 0 DEADHO CCC1([NH2+]CCCF)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001281017568 1144868620 /nfs/dbraw/zinc/86/86/20/1144868620.db2.gz SKUPBVGPOWHGCF-UHFFFAOYSA-N 1 3 313.461 2.191 20 0 DEADHO CC/C=C\CC[NH+]1CC([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001282717130 1145141565 /nfs/dbraw/zinc/14/15/65/1145141565.db2.gz PXWSFBBEOYWKBG-XHPSBEMXSA-N 1 3 307.482 2.264 20 0 DEADHO CC[NH+](CC)CC[C@@H](C)NC(=O)N1CCN(C2CCCC2)CC1 ZINC001364347074 1145186729 /nfs/dbraw/zinc/18/67/29/1145186729.db2.gz DTCUEGVMGINTHE-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H](CN1CCOCC1)CN1CCC(C)([NH+]2CCCCC2)CC1 ZINC001364508204 1145305744 /nfs/dbraw/zinc/30/57/44/1145305744.db2.gz YEJBFEGFAJZZND-SFHVURJKSA-N 1 3 323.525 2.295 20 0 DEADHO CC[N@H+](C)C[C@H](O)CN1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001364544177 1145329965 /nfs/dbraw/zinc/32/99/65/1145329965.db2.gz CUGURIZEOOSPCV-AEFFLSMTSA-N 1 3 306.450 2.102 20 0 DEADHO CC[N@@H+](C)C[C@H](O)CN1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001364544177 1145329971 /nfs/dbraw/zinc/32/99/71/1145329971.db2.gz CUGURIZEOOSPCV-AEFFLSMTSA-N 1 3 306.450 2.102 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCC[NH2+]CC1CCCC1 ZINC001283268509 1145341421 /nfs/dbraw/zinc/34/14/21/1145341421.db2.gz MBYXXFUCMIPACZ-ZDUSSCGKSA-N 1 3 306.454 2.325 20 0 DEADHO Cc1cccc(C)c1CNC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001364588308 1145363593 /nfs/dbraw/zinc/36/35/93/1145363593.db2.gz FKAVJIJIQOVDFY-UHFFFAOYSA-N 1 3 317.477 2.336 20 0 DEADHO C[C@H]1CCN(CC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC001364870182 1145643502 /nfs/dbraw/zinc/64/35/02/1145643502.db2.gz CRCZWONXQRQXGH-HJOIGYKYSA-N 1 3 307.482 2.242 20 0 DEADHO CN1C[C@@H]2CC[C@H]([NH2+]C3CCN(c4nccs4)CC3)[C@H]2C1 ZINC001364930715 1145687905 /nfs/dbraw/zinc/68/79/05/1145687905.db2.gz IZVQSEOWGVCLCW-QEJZJMRPSA-N 1 3 306.479 2.042 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001365323047 1145846995 /nfs/dbraw/zinc/84/69/95/1145846995.db2.gz YWCZZMZQBIQCGI-JKSUJKDBSA-N 1 3 324.513 2.375 20 0 DEADHO CC(C)SCCN1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001365344691 1145852890 /nfs/dbraw/zinc/85/28/90/1145852890.db2.gz LGCWEVYDLAACCO-UHFFFAOYSA-N 1 3 300.512 2.441 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)CCO1 ZINC001365355227 1145856574 /nfs/dbraw/zinc/85/65/74/1145856574.db2.gz RVOPEBWQPWOREK-LPHOPBHVSA-N 1 3 317.477 2.091 20 0 DEADHO Cc1ccccc1C(=O)N1CCC([NH2+]C[C@H](C)CN(C)C)CC1 ZINC001365441674 1145870862 /nfs/dbraw/zinc/87/08/62/1145870862.db2.gz AIOBMJXBWCIMHS-HNNXBMFYSA-N 1 3 317.477 2.387 20 0 DEADHO Cc1ccc(CN2CC=C(CNC(=O)CC[NH+](C)C)CC2)cc1 ZINC001284960119 1145994991 /nfs/dbraw/zinc/99/49/91/1145994991.db2.gz QHNFXHIKBOZEKS-UHFFFAOYSA-N 1 3 315.461 2.195 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1)N(C)C ZINC001365841808 1146025016 /nfs/dbraw/zinc/02/50/16/1146025016.db2.gz BEUJUTNKKZYGGJ-KKUMJFAQSA-N 1 3 309.479 2.073 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]CCc2ccccc2)C1 ZINC001365847717 1146027232 /nfs/dbraw/zinc/02/72/32/1146027232.db2.gz GVRWIWGRBZDZFD-IYARVYRRSA-N 1 3 317.477 2.054 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C1CC[NH+](CC[C@H](C)F)CC1)N(C)C ZINC001365931898 1146918264 /nfs/dbraw/zinc/91/82/64/1146918264.db2.gz LSIPPFLWUOTYBH-HOCLYGCPSA-N 1 3 315.477 2.244 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CCC2CC2)C1)N1CCCC1 ZINC001366005921 1147004694 /nfs/dbraw/zinc/00/46/94/1147004694.db2.gz TYLHLHPJOXXDHT-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCC2CC2)C1)N1CCCC1 ZINC001366005921 1147004698 /nfs/dbraw/zinc/00/46/98/1147004698.db2.gz TYLHLHPJOXXDHT-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001317189331 1147076603 /nfs/dbraw/zinc/07/66/03/1147076603.db2.gz IVOSYFKTIJCENS-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1ccc(CN[C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)c(Cl)c1 ZINC001366158090 1147083398 /nfs/dbraw/zinc/08/33/98/1147083398.db2.gz YOAIGUBLQWFKJB-GASCZTMLSA-N 1 3 323.868 2.337 20 0 DEADHO CCc1cccc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001366321218 1147212990 /nfs/dbraw/zinc/21/29/90/1147212990.db2.gz HPDUKULBJPIJAO-MAUKXSAKSA-N 1 3 319.493 2.430 20 0 DEADHO CC(C)[NH2+]CCc1ccc(CNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001366421513 1147263502 /nfs/dbraw/zinc/26/35/02/1147263502.db2.gz MZJLJVIWODNKFC-GOSISDBHSA-N 1 3 319.493 2.430 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](C)Cc1ccc2c(c1)CCC2)N(C)C ZINC001366582130 1147372002 /nfs/dbraw/zinc/37/20/02/1147372002.db2.gz DYADIOGUQKNJEG-GOSISDBHSA-N 1 3 317.477 2.064 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](C)Cc1ccc2c(c1)CCC2)N(C)C ZINC001366582130 1147372006 /nfs/dbraw/zinc/37/20/06/1147372006.db2.gz DYADIOGUQKNJEG-GOSISDBHSA-N 1 3 317.477 2.064 20 0 DEADHO CC[C@H](C(=O)NCCC[N@H+](C)Cc1csc(C)c1)N(C)C ZINC001316862613 1147518686 /nfs/dbraw/zinc/51/86/86/1147518686.db2.gz JVVITGPWKJMSPJ-OAHLLOKOSA-N 1 3 311.495 2.335 20 0 DEADHO CC[C@H](C(=O)NCCC[N@@H+](C)Cc1csc(C)c1)N(C)C ZINC001316862613 1147518688 /nfs/dbraw/zinc/51/86/88/1147518688.db2.gz JVVITGPWKJMSPJ-OAHLLOKOSA-N 1 3 311.495 2.335 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](Cc1ccccc1)C1CC1)N(C)C ZINC001366758465 1147545630 /nfs/dbraw/zinc/54/56/30/1147545630.db2.gz PXDWVLYIBRUFEA-QGZVFWFLSA-N 1 3 303.450 2.107 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](Cc1ccccc1)C1CC1)N(C)C ZINC001366758465 1147545633 /nfs/dbraw/zinc/54/56/33/1147545633.db2.gz PXDWVLYIBRUFEA-QGZVFWFLSA-N 1 3 303.450 2.107 20 0 DEADHO C[C@H]([NH2+]CCC1CC1)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001366788654 1147561272 /nfs/dbraw/zinc/56/12/72/1147561272.db2.gz FAQIFRNJCOTFDP-WMLDXEAASA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CCCF)C1)N(C)C ZINC001316768375 1147576457 /nfs/dbraw/zinc/57/64/57/1147576457.db2.gz CCROPFQWNQATNW-HUUCEWRRSA-N 1 3 301.450 2.047 20 0 DEADHO CC[C@H](C(=O)NCC[C@H]1CC[N@H+](Cc2ccsc2)C1)N(C)C ZINC001366834576 1147586890 /nfs/dbraw/zinc/58/68/90/1147586890.db2.gz ARCGCQFQGNUBPM-GOEBONIOSA-N 1 3 323.506 2.417 20 0 DEADHO CC[C@H](C(=O)NCC[C@H]1CC[N@@H+](Cc2ccsc2)C1)N(C)C ZINC001366834576 1147586892 /nfs/dbraw/zinc/58/68/92/1147586892.db2.gz ARCGCQFQGNUBPM-GOEBONIOSA-N 1 3 323.506 2.417 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)CC2CCCC2)C1 ZINC001366881767 1147605986 /nfs/dbraw/zinc/60/59/86/1147605986.db2.gz JVMVWFNOSJOXEA-QGZVFWFLSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001366881767 1147605988 /nfs/dbraw/zinc/60/59/88/1147605988.db2.gz JVMVWFNOSJOXEA-QGZVFWFLSA-N 1 3 309.498 2.299 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001317169318 1147669730 /nfs/dbraw/zinc/66/97/30/1147669730.db2.gz ZBYUOSMYOSHFSJ-ROUUACIJSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001367364453 1147684541 /nfs/dbraw/zinc/68/45/41/1147684541.db2.gz IWSUTVKBZRGLKQ-RHSMWYFYSA-N 1 3 323.456 2.411 20 0 DEADHO CN(CC[N@H+](C)CC1CCC2(CC2)CC1)C(=O)Cc1c[nH]cn1 ZINC001367530329 1147710032 /nfs/dbraw/zinc/71/00/32/1147710032.db2.gz AHXUJMZFUDKOSX-UHFFFAOYSA-N 1 3 318.465 2.313 20 0 DEADHO CN(CC[N@@H+](C)CC1CCC2(CC2)CC1)C(=O)Cc1c[nH]cn1 ZINC001367530329 1147710033 /nfs/dbraw/zinc/71/00/33/1147710033.db2.gz AHXUJMZFUDKOSX-UHFFFAOYSA-N 1 3 318.465 2.313 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(CC=C(C)C)C1CC1 ZINC001317552585 1147724239 /nfs/dbraw/zinc/72/42/39/1147724239.db2.gz XWNZGXNVWVLBHS-QGZVFWFLSA-N 1 3 307.482 2.408 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(CC=C(C)C)C1CC1 ZINC001317552585 1147724240 /nfs/dbraw/zinc/72/42/40/1147724240.db2.gz XWNZGXNVWVLBHS-QGZVFWFLSA-N 1 3 307.482 2.408 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001367692715 1147727965 /nfs/dbraw/zinc/72/79/65/1147727965.db2.gz OOXYFBKUVBMFKU-RHSMWYFYSA-N 1 3 323.456 2.315 20 0 DEADHO C[C@H](C[N@H+](C)CCc1cccs1)NC(=O)CN1CC[C@@H](C)C1 ZINC001367834648 1147756496 /nfs/dbraw/zinc/75/64/96/1147756496.db2.gz NRCMFDTZKCYJBF-HUUCEWRRSA-N 1 3 323.506 2.069 20 0 DEADHO C[C@H](C[N@@H+](C)CCc1cccs1)NC(=O)CN1CC[C@@H](C)C1 ZINC001367834648 1147756498 /nfs/dbraw/zinc/75/64/98/1147756498.db2.gz NRCMFDTZKCYJBF-HUUCEWRRSA-N 1 3 323.506 2.069 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]Cc2ccc(C)c(C)c2)CC1)N(C)C ZINC001368015793 1147829224 /nfs/dbraw/zinc/82/92/24/1147829224.db2.gz UHTJZOFESCIPKY-QGZVFWFLSA-N 1 3 317.477 2.382 20 0 DEADHO CCCCCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001326222687 1148059264 /nfs/dbraw/zinc/05/92/64/1148059264.db2.gz DQGCHUMVFRCAOW-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO CN1CCN(Cc2ccc(C[NH2+]C[C@@H]3CCSC3)cc2)CC1 ZINC000278275996 214062152 /nfs/dbraw/zinc/06/21/52/214062152.db2.gz AMVCAKOIUDNUCK-SFHVURJKSA-N 1 3 319.518 2.277 20 0 DEADHO COC[C@@H](Cc1ccccc1)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278712901 214346673 /nfs/dbraw/zinc/34/66/73/214346673.db2.gz VRDWETPWPPCLHS-IEBWSBKVSA-N 1 3 320.477 2.335 20 0 DEADHO COC[C@@H](Cc1ccccc1)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000278712901 214346677 /nfs/dbraw/zinc/34/66/77/214346677.db2.gz VRDWETPWPPCLHS-IEBWSBKVSA-N 1 3 320.477 2.335 20 0 DEADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000372430848 295679985 /nfs/dbraw/zinc/67/99/85/295679985.db2.gz IIBKMHRFCWIKCG-CKEIUWERSA-N 1 3 319.474 2.001 20 0 DEADHO C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000373879753 282186013 /nfs/dbraw/zinc/18/60/13/282186013.db2.gz DPDWUCDCYAKEGO-IAGOWNOFSA-N 1 3 307.482 2.336 20 0 DEADHO CCc1cc(NC[C@@H](O)C[NH+]2CCCCC2)c2ccccc2n1 ZINC000443674271 529505725 /nfs/dbraw/zinc/50/57/25/529505725.db2.gz JPTKQVIBBZQDAC-MRXNPFEDSA-N 1 3 313.445 2.478 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000417547958 529613697 /nfs/dbraw/zinc/61/36/97/529613697.db2.gz HNFJGCXWIXHEQM-CXAGYDPISA-N 1 3 318.465 2.031 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000417547958 529613699 /nfs/dbraw/zinc/61/36/99/529613699.db2.gz HNFJGCXWIXHEQM-CXAGYDPISA-N 1 3 318.465 2.031 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CC[C@H](C)[C@H]3CCCC[C@H]32)CC1 ZINC000613416085 362104462 /nfs/dbraw/zinc/10/44/62/362104462.db2.gz SIGAIWKCBAMISG-CGTJXYLNSA-N 1 3 321.509 2.488 20 0 DEADHO CN1CC[C@@H]2CCN(C(=O)C[C@H](c3ccccc3)[NH+](C)C)[C@H]2C1 ZINC000416203968 282235510 /nfs/dbraw/zinc/23/55/10/282235510.db2.gz ZPGBLVHZAVEYCM-KURKYZTESA-N 1 3 315.461 2.232 20 0 DEADHO CN(C)[C@H](CNC(=O)NCCC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000416802495 282241967 /nfs/dbraw/zinc/24/19/67/282241967.db2.gz IADOGTGQGLFYJT-DLBZAZTESA-N 1 3 318.465 2.121 20 0 DEADHO CCOC(=O)N1CCC([C@@H](C)[NH2+]CC[C@H]2CCCN2C)CC1 ZINC000186412833 282275466 /nfs/dbraw/zinc/27/54/66/282275466.db2.gz QPXDLWVKJKVZEG-GDBMZVCRSA-N 1 3 311.470 2.317 20 0 DEADHO CCc1ccc([C@H](CNC(=O)NCC[NH2+]C)N(CC)CC)cc1 ZINC000418214456 529723206 /nfs/dbraw/zinc/72/32/06/529723206.db2.gz LRETZAYJNVLKAQ-KRWDZBQOSA-N 1 3 320.481 2.151 20 0 DEADHO CN(CC1CCN(C)CC1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418451335 529865619 /nfs/dbraw/zinc/86/56/19/529865619.db2.gz VTMIAXRYHRODGQ-UHFFFAOYSA-N 1 3 324.513 2.282 20 0 DEADHO CN(CCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000295611926 529913072 /nfs/dbraw/zinc/91/30/72/529913072.db2.gz DUGIEFNPSBNHHP-IRXDYDNUSA-N 1 3 303.450 2.142 20 0 DEADHO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000418178905 529990190 /nfs/dbraw/zinc/99/01/90/529990190.db2.gz JGFWCIAEVSJBKF-PVAVHDDUSA-N 1 3 318.465 2.071 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1 ZINC000091898809 539421861 /nfs/dbraw/zinc/42/18/61/539421861.db2.gz BLPKTLMJDLMXKO-AEFFLSMTSA-N 1 3 306.450 2.220 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+](C)C[C@H]2CCC[C@@H]2O)cc1 ZINC000091898809 539421866 /nfs/dbraw/zinc/42/18/66/539421866.db2.gz BLPKTLMJDLMXKO-AEFFLSMTSA-N 1 3 306.450 2.220 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1)N1CCCCC1 ZINC000615617979 362660470 /nfs/dbraw/zinc/66/04/70/362660470.db2.gz DLDBRNNICBNIGH-MJGOQNOKSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1)N1CCCCC1 ZINC000615617979 362660472 /nfs/dbraw/zinc/66/04/72/362660472.db2.gz DLDBRNNICBNIGH-MJGOQNOKSA-N 1 3 321.509 2.441 20 0 DEADHO COC[C@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)C1CC1 ZINC000132833341 539504710 /nfs/dbraw/zinc/50/47/10/539504710.db2.gz ZCVHYFONKFUGJM-IBGZPJMESA-N 1 3 318.461 2.158 20 0 DEADHO C[N@H+](CCCNC(=O)[C@H]1CCCN1C1CC1)Cc1ccccc1 ZINC000279710824 215081307 /nfs/dbraw/zinc/08/13/07/215081307.db2.gz KUPDATAKPFCKMI-GOSISDBHSA-N 1 3 315.461 2.252 20 0 DEADHO C[N@@H+](CCCNC(=O)[C@H]1CCCN1C1CC1)Cc1ccccc1 ZINC000279710824 215081311 /nfs/dbraw/zinc/08/13/11/215081311.db2.gz KUPDATAKPFCKMI-GOSISDBHSA-N 1 3 315.461 2.252 20 0 DEADHO CCCN1CCC([NH2+]C2CCN(CCOC(C)C)CC2)CC1 ZINC000157953414 539574720 /nfs/dbraw/zinc/57/47/20/539574720.db2.gz CMNAIPOKNOCSKR-UHFFFAOYSA-N 1 3 311.514 2.340 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000162256908 539596362 /nfs/dbraw/zinc/59/63/62/539596362.db2.gz HYOOSLYGWPYVGD-SJORKVTESA-N 1 3 301.434 2.282 20 0 DEADHO C[C@H](NC(=O)NCCC[NH2+]C1CC1)[C@H](c1ccccc1)N(C)C ZINC000418159574 299153670 /nfs/dbraw/zinc/15/36/70/299153670.db2.gz AJYARLLACRCPON-WMLDXEAASA-N 1 3 318.465 2.119 20 0 DEADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(OC(F)F)cc1 ZINC000268978080 282693422 /nfs/dbraw/zinc/69/34/22/282693422.db2.gz JUONCKJDLWYGJW-LBPRGKRZSA-N 1 3 314.376 2.395 20 0 DEADHO C[C@H](CNC(=O)[C@H](C)[C@@H](N)c1ccccc1)C[NH+]1CCCC1 ZINC000237456903 186292262 /nfs/dbraw/zinc/29/22/62/186292262.db2.gz VIGSDTXDWZHESS-BFYDXBDKSA-N 1 3 303.450 2.171 20 0 DEADHO c1ccc(CCN2CCC(OCC[NH+]3CCCC3)CC2)nc1 ZINC000173945220 198272419 /nfs/dbraw/zinc/27/24/19/198272419.db2.gz CVTJERMEDLOJOJ-UHFFFAOYSA-N 1 3 303.450 2.201 20 0 DEADHO OC[C@@H](Cc1ccccc1)N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000317879972 282880374 /nfs/dbraw/zinc/88/03/74/282880374.db2.gz YVZAKXNICZGWLD-YDZRNGNQSA-N 1 3 302.462 2.490 20 0 DEADHO CN(C)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000339071403 539985484 /nfs/dbraw/zinc/98/54/84/539985484.db2.gz QYOLTCKHPWMOGQ-FHWLQOOXSA-N 1 3 301.478 2.376 20 0 DEADHO CN(C)[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000339071403 539985485 /nfs/dbraw/zinc/98/54/85/539985485.db2.gz QYOLTCKHPWMOGQ-FHWLQOOXSA-N 1 3 301.478 2.376 20 0 DEADHO C[NH+]1CCC(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000174453723 198336505 /nfs/dbraw/zinc/33/65/05/198336505.db2.gz MWSZJDLGJHTJSM-HNNXBMFYSA-N 1 3 321.490 2.343 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H](C)CN1CCCCC1 ZINC000357980828 535233369 /nfs/dbraw/zinc/23/33/69/535233369.db2.gz FVALRKONVLTBGF-HZPDHXFCSA-N 1 3 312.502 2.280 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H](C)CN1CCCCC1 ZINC000357980828 535233372 /nfs/dbraw/zinc/23/33/72/535233372.db2.gz FVALRKONVLTBGF-HZPDHXFCSA-N 1 3 312.502 2.280 20 0 DEADHO CC(C)[C@H](N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000236796729 202014457 /nfs/dbraw/zinc/01/44/57/202014457.db2.gz WYCQLXRJLAGCAE-KRWDZBQOSA-N 1 3 318.465 2.139 20 0 DEADHO CC(C)[C@H](N)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000236802592 202017108 /nfs/dbraw/zinc/01/71/08/202017108.db2.gz DNZONAXYQPAGDD-INIZCTEOSA-N 1 3 302.422 2.125 20 0 DEADHO CN(CC1CN(C)C1)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000618189396 363408026 /nfs/dbraw/zinc/40/80/26/363408026.db2.gz HZBSUMBTTBCIJC-UHFFFAOYSA-N 1 3 315.461 2.306 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000073033967 354938031 /nfs/dbraw/zinc/93/80/31/354938031.db2.gz BZIMABYRYNDSGQ-QAPCUYQASA-N 1 3 315.461 2.280 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](N)CC2CCCCC2)C1 ZINC000423420234 283060099 /nfs/dbraw/zinc/06/00/99/283060099.db2.gz AHRRLFJDNYLDHL-IRXDYDNUSA-N 1 3 309.498 2.474 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](N)CC2CCCCC2)C1 ZINC000423420234 283060103 /nfs/dbraw/zinc/06/01/03/283060103.db2.gz AHRRLFJDNYLDHL-IRXDYDNUSA-N 1 3 309.498 2.474 20 0 DEADHO CCCC[N@H+](C)CC1CCN(C(=O)C2CCN(C)CC2)CC1 ZINC000073639857 354973211 /nfs/dbraw/zinc/97/32/11/354973211.db2.gz SUGZRRYVPBVPMC-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CCCC[N@@H+](C)CC1CCN(C(=O)C2CCN(C)CC2)CC1 ZINC000073639857 354973212 /nfs/dbraw/zinc/97/32/12/354973212.db2.gz SUGZRRYVPBVPMC-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO O=C(CC[N@@H+]1CC[C@H](CN2CCCCC2)C1)N1CCCCC1 ZINC000075835146 355108017 /nfs/dbraw/zinc/10/80/17/355108017.db2.gz HTRFHNZOQUEPRD-QGZVFWFLSA-N 1 3 307.482 2.197 20 0 DEADHO O=C(CC[N@H+]1CC[C@H](CN2CCCCC2)C1)N1CCCCC1 ZINC000075835146 355108019 /nfs/dbraw/zinc/10/80/19/355108019.db2.gz HTRFHNZOQUEPRD-QGZVFWFLSA-N 1 3 307.482 2.197 20 0 DEADHO O=C(CC[NH2+]C1CC1)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000381095400 540122745 /nfs/dbraw/zinc/12/27/45/540122745.db2.gz YCGYVWOAFWJHTC-QGZVFWFLSA-N 1 3 315.461 2.157 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C(C)(C)C[NH3+] ZINC000382679168 540123481 /nfs/dbraw/zinc/12/34/81/540123481.db2.gz AEIXKFQOWSTBME-HNNXBMFYSA-N 1 3 303.450 2.094 20 0 DEADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000085386970 355493176 /nfs/dbraw/zinc/49/31/76/355493176.db2.gz GKEZTTSPHKSQDR-CVEARBPZSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H](CCN(C)C[C@H]1CCCOC1)[N@H+](C)C[C@H]1CCCOC1 ZINC000431601944 540176599 /nfs/dbraw/zinc/17/65/99/540176599.db2.gz GBAYCHNHAQPPOU-KZNAEPCWSA-N 1 3 312.498 2.482 20 0 DEADHO C[C@H](CCN(C)C[C@H]1CCCOC1)[N@@H+](C)C[C@H]1CCCOC1 ZINC000431601944 540176601 /nfs/dbraw/zinc/17/66/01/540176601.db2.gz GBAYCHNHAQPPOU-KZNAEPCWSA-N 1 3 312.498 2.482 20 0 DEADHO C[C@H](CC[N@H+](C)C[C@H]1CCCOC1)N(C)C[C@H]1CCCOC1 ZINC000431601944 540176602 /nfs/dbraw/zinc/17/66/02/540176602.db2.gz GBAYCHNHAQPPOU-KZNAEPCWSA-N 1 3 312.498 2.482 20 0 DEADHO C[C@H](CC[N@@H+](C)C[C@H]1CCCOC1)N(C)C[C@H]1CCCOC1 ZINC000431601944 540176604 /nfs/dbraw/zinc/17/66/04/540176604.db2.gz GBAYCHNHAQPPOU-KZNAEPCWSA-N 1 3 312.498 2.482 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000449333197 540187424 /nfs/dbraw/zinc/18/74/24/540187424.db2.gz FTCJDLGTVWEKSN-LLLHUVSDSA-N 1 3 301.434 2.066 20 0 DEADHO OC[C@H]1CCC[N@@H+]1CCCCNCc1scnc1C1CC1 ZINC000487310978 540211966 /nfs/dbraw/zinc/21/19/66/540211966.db2.gz ZRXSIXQFPAMDQJ-CQSZACIVSA-N 1 3 309.479 2.347 20 0 DEADHO OC[C@H]1CCC[N@H+]1CCCCNCc1scnc1C1CC1 ZINC000487310978 540211967 /nfs/dbraw/zinc/21/19/67/540211967.db2.gz ZRXSIXQFPAMDQJ-CQSZACIVSA-N 1 3 309.479 2.347 20 0 DEADHO CCS(=O)(=O)C[C@H](C)[NH2+]CCCCCN1CCCCC1 ZINC000182961311 356153827 /nfs/dbraw/zinc/15/38/27/356153827.db2.gz JHGUCACJNOQTMB-HNNXBMFYSA-N 1 3 304.500 2.055 20 0 DEADHO C[C@H](CNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1)N1CCC(C)CC1 ZINC000263273463 356344565 /nfs/dbraw/zinc/34/45/65/356344565.db2.gz PTVUKZVRSBEZEH-BBWFWOEESA-N 1 3 309.498 2.249 20 0 DEADHO CN(C)CCN(Cc1ccccc1)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000302922300 356392180 /nfs/dbraw/zinc/39/21/80/356392180.db2.gz UYNMCPUJZIHFQG-KRWDZBQOSA-N 1 3 317.477 2.357 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)CCC1CC[NH2+]CC1 ZINC000320627916 356446232 /nfs/dbraw/zinc/44/62/32/356446232.db2.gz JSUPBVLRUJXICX-UHFFFAOYSA-N 1 3 319.449 2.475 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CNCc2ccccc21 ZINC000321001777 356447983 /nfs/dbraw/zinc/44/79/83/356447983.db2.gz NDPNPDCCYYBFQK-QAPCUYQASA-N 1 3 315.461 2.254 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CNCc2ccccc21 ZINC000321001777 356447984 /nfs/dbraw/zinc/44/79/84/356447984.db2.gz NDPNPDCCYYBFQK-QAPCUYQASA-N 1 3 315.461 2.254 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000384329349 356682784 /nfs/dbraw/zinc/68/27/84/356682784.db2.gz YMNYWEZBCVDHOG-YJBOKZPZSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618661716 363564361 /nfs/dbraw/zinc/56/43/61/363564361.db2.gz AGLROVHQPHWYKW-OWCLPIDISA-N 1 3 307.482 2.382 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618661716 363564364 /nfs/dbraw/zinc/56/43/64/363564364.db2.gz AGLROVHQPHWYKW-OWCLPIDISA-N 1 3 307.482 2.382 20 0 DEADHO CN(C)CCN(Cc1ccccc1)C(=O)c1ccc(C[NH3+])cc1 ZINC000237153859 202169045 /nfs/dbraw/zinc/16/90/45/202169045.db2.gz CPEMCETYPASGOF-UHFFFAOYSA-N 1 3 311.429 2.349 20 0 DEADHO CC[NH+]1CCC(CNC(=O)[C@@H]2CCCN2C2CCCC2)CC1 ZINC000578956715 356895854 /nfs/dbraw/zinc/89/58/54/356895854.db2.gz TZBFZGASKHXUNT-KRWDZBQOSA-N 1 3 307.482 2.242 20 0 DEADHO O=C(NCCCCC[NH+]1CCCC1)N1CC[C@H](N2CCCC2)C1 ZINC000579563256 356994031 /nfs/dbraw/zinc/99/40/31/356994031.db2.gz CMFVRSQQRKMQCY-KRWDZBQOSA-N 1 3 322.497 2.132 20 0 DEADHO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000237258664 202207573 /nfs/dbraw/zinc/20/75/73/202207573.db2.gz WSICBDCILQBWPH-CQSZACIVSA-N 1 3 321.490 2.072 20 0 DEADHO CN1CC[C@@H]2CCN(C(=O)CC[C@H]([NH3+])c3ccccc3)[C@H]2C1 ZINC000579829526 357038149 /nfs/dbraw/zinc/03/81/49/357038149.db2.gz OQOCEOUXQQBXGQ-IKGGRYGDSA-N 1 3 301.434 2.019 20 0 DEADHO OC1(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)CCCC1 ZINC000579703668 357017141 /nfs/dbraw/zinc/01/71/41/357017141.db2.gz PUVZUKXSGQAMRD-GOSISDBHSA-N 1 3 302.462 2.446 20 0 DEADHO OC1(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)CCCC1 ZINC000579703669 357017169 /nfs/dbraw/zinc/01/71/69/357017169.db2.gz PUVZUKXSGQAMRD-SFHVURJKSA-N 1 3 302.462 2.446 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C[C@@H](N)Cc1ccccc1 ZINC000580830998 357086828 /nfs/dbraw/zinc/08/68/28/357086828.db2.gz XJYKBDALVOAMID-WMZOPIPTSA-N 1 3 317.477 2.327 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)C[C@@H](N)Cc1ccccc1 ZINC000580830998 357086833 /nfs/dbraw/zinc/08/68/33/357086833.db2.gz XJYKBDALVOAMID-WMZOPIPTSA-N 1 3 317.477 2.327 20 0 DEADHO C[C@](O)(C[NH2+]CC1CCN(c2ccncc2)CC1)C(F)(F)F ZINC000581305310 357163622 /nfs/dbraw/zinc/16/36/22/357163622.db2.gz CFDFEGJVAXULIX-AWEZNQCLSA-N 1 3 317.355 2.201 20 0 DEADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CCN(C2CCC2)C1 ZINC000581993149 357281199 /nfs/dbraw/zinc/28/11/99/357281199.db2.gz RKNOXCXWVJVOKY-ARFHVFGLSA-N 1 3 322.497 2.020 20 0 DEADHO CC(C)N1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000582012868 357285541 /nfs/dbraw/zinc/28/55/41/357285541.db2.gz UGEGYHVQGNIUKY-GOSISDBHSA-N 1 3 317.477 2.393 20 0 DEADHO Cc1ccc(OC[C@H](O)CN2CCC(C[NH+](C)C)CC2)cc1 ZINC000590125670 357520049 /nfs/dbraw/zinc/52/00/49/357520049.db2.gz HIPGZPSLJFXLQG-QGZVFWFLSA-N 1 3 306.450 2.008 20 0 DEADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000661954275 540324383 /nfs/dbraw/zinc/32/43/83/540324383.db2.gz JDVYYTLSDYEBMG-SJORKVTESA-N 1 3 318.465 2.073 20 0 DEADHO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000661954275 540324386 /nfs/dbraw/zinc/32/43/86/540324386.db2.gz JDVYYTLSDYEBMG-SJORKVTESA-N 1 3 318.465 2.073 20 0 DEADHO COc1cc2c(c(CN[C@H]3CC34CC[NH2+]CC4)c1)O[C@@H](C)C2 ZINC000666952390 540369354 /nfs/dbraw/zinc/36/93/54/540369354.db2.gz UWVSREYBYJVGJV-LRDDRELGSA-N 1 3 302.418 2.250 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1=CCCC1 ZINC000666958917 540370647 /nfs/dbraw/zinc/37/06/47/540370647.db2.gz NHCFKPLXVTUBMU-KRWDZBQOSA-N 1 3 322.497 2.154 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1=CCCC1 ZINC000666958917 540370648 /nfs/dbraw/zinc/37/06/48/540370648.db2.gz NHCFKPLXVTUBMU-KRWDZBQOSA-N 1 3 322.497 2.154 20 0 DEADHO COC(=O)c1ccccc1OCCN1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000593730835 358132138 /nfs/dbraw/zinc/13/21/38/358132138.db2.gz ICKHRCKZAQILRK-HOCLYGCPSA-N 1 3 320.433 2.301 20 0 DEADHO CCN(CC[NH3+])C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000626979935 366388625 /nfs/dbraw/zinc/38/86/25/366388625.db2.gz MTGOYCVIGMKRDG-OAHLLOKOSA-N 1 3 318.465 2.202 20 0 DEADHO CCC(CC)[C@H](CNC[C@@H]1CNc2ccnn2C1)[NH+]1CCCC1 ZINC000595138216 358392988 /nfs/dbraw/zinc/39/29/88/358392988.db2.gz BJPOUPVYQXXXOG-WBVHZDCISA-N 1 3 319.497 2.415 20 0 DEADHO C[C@H]1C[C@H]1N1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C[C@@H](C)C1 ZINC000452119289 291156653 /nfs/dbraw/zinc/15/66/53/291156653.db2.gz HFGDJDNCNINXOW-XLAORIBOSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@H]1C[C@H]1N1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)C[C@@H](C)C1 ZINC000452119289 291156654 /nfs/dbraw/zinc/15/66/54/291156654.db2.gz HFGDJDNCNINXOW-XLAORIBOSA-N 1 3 321.509 2.440 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000294635015 283398357 /nfs/dbraw/zinc/39/83/57/283398357.db2.gz ASGMORYXZMIQTH-RHSMWYFYSA-N 1 3 305.466 2.356 20 0 DEADHO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000597185591 358847929 /nfs/dbraw/zinc/84/79/29/358847929.db2.gz YOUYHFBYNHCZOT-JLDZCNIISA-N 1 3 321.490 2.330 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000667451397 540457642 /nfs/dbraw/zinc/45/76/42/540457642.db2.gz MQPZVNYPXOVDMP-OAHLLOKOSA-N 1 3 304.438 2.054 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000667742362 540518443 /nfs/dbraw/zinc/51/84/43/540518443.db2.gz YNKUBXZGMGVXEG-QGZVFWFLSA-N 1 3 316.449 2.327 20 0 DEADHO C[NH2+]Cc1ccc(NC(=O)N[C@H]2CCN(CC3CC3)C2)cc1 ZINC000667843259 540537905 /nfs/dbraw/zinc/53/79/05/540537905.db2.gz DFRFCUVETQCLBM-INIZCTEOSA-N 1 3 302.422 2.012 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1oc2ccccc2c1CN(C)C ZINC000186873740 200024950 /nfs/dbraw/zinc/02/49/50/200024950.db2.gz RDWAFPJDICRYIN-IUODEOHRSA-N 1 3 315.417 2.222 20 0 DEADHO COC(=O)c1ccccc1CC[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000187181094 200073369 /nfs/dbraw/zinc/07/33/69/200073369.db2.gz OOUIZPQAVLLGPI-AEFFLSMTSA-N 1 3 316.445 2.432 20 0 DEADHO COC(=O)c1ccccc1CC[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000187181094 200073370 /nfs/dbraw/zinc/07/33/70/200073370.db2.gz OOUIZPQAVLLGPI-AEFFLSMTSA-N 1 3 316.445 2.432 20 0 DEADHO O=C(Oc1ccccc1)N1CCC[C@H]([NH2+]C2CCNCC2)CC1 ZINC000497275779 283462471 /nfs/dbraw/zinc/46/24/71/283462471.db2.gz MANYTJADLXWPTF-HNNXBMFYSA-N 1 3 317.433 2.382 20 0 DEADHO CCCN1CCC([NH2+]Cc2ccc(CC(=O)OC)cc2)CC1 ZINC000600186376 359679678 /nfs/dbraw/zinc/67/96/78/359679678.db2.gz DXSVBBQEYMANIA-UHFFFAOYSA-N 1 3 304.434 2.366 20 0 DEADHO C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1ccc(OCCN(C)C)cc1 ZINC000187682711 200144156 /nfs/dbraw/zinc/14/41/56/200144156.db2.gz PPEOXNXUCFXSCU-JQFCIGGWSA-N 1 3 306.450 2.437 20 0 DEADHO C[C@H](C[NH2+]C1CCN(c2ccccn2)CC1)CN1CCCC1 ZINC000237516017 202268698 /nfs/dbraw/zinc/26/86/98/202268698.db2.gz HZQFWUQYSFNSON-MRXNPFEDSA-N 1 3 302.466 2.372 20 0 DEADHO C[C@@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)N(C)Cc1ccccc1 ZINC000237608131 202303020 /nfs/dbraw/zinc/30/30/20/202303020.db2.gz PHJKVGQNTHKEIY-YJBOKZPZSA-N 1 3 303.450 2.155 20 0 DEADHO C[C@@]1(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CCCC[NH2+]1 ZINC000237589377 202294309 /nfs/dbraw/zinc/29/43/09/202294309.db2.gz QGRSRGVHFQHVJK-MJGOQNOKSA-N 1 3 315.461 2.299 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)C2(N)CC2)C1 ZINC000237684764 202328379 /nfs/dbraw/zinc/32/83/79/202328379.db2.gz ACUDDFVUEHLDRM-GASCZTMLSA-N 1 3 315.461 2.272 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)C2(N)CC2)C1 ZINC000237684764 202328382 /nfs/dbraw/zinc/32/83/82/202328382.db2.gz ACUDDFVUEHLDRM-GASCZTMLSA-N 1 3 315.461 2.272 20 0 DEADHO CC(C)[C@@H](C(=O)NCc1ccc2c(c1)C[NH2+]C2)N1CCCCC1 ZINC000188706636 200290598 /nfs/dbraw/zinc/29/05/98/200290598.db2.gz DDXLCWIOWSPDKQ-SFHVURJKSA-N 1 3 315.461 2.417 20 0 DEADHO Cn1ncc(C2CC2)c1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000668584772 540693721 /nfs/dbraw/zinc/69/37/21/540693721.db2.gz FLOQVAIMVINELE-UHFFFAOYSA-N 1 3 311.433 2.451 20 0 DEADHO O=C([C@@H]1CCCN1C1CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000495097025 296016014 /nfs/dbraw/zinc/01/60/14/296016014.db2.gz FFKMRIYYCRRQEL-KRWDZBQOSA-N 1 3 305.466 2.090 20 0 DEADHO C[C@H]1C[N@H+](Cc2ccc(OCCN(C)C)cc2)C[C@@]1(C)CO ZINC000668738095 540721870 /nfs/dbraw/zinc/72/18/70/540721870.db2.gz FRBPKILLIGABOS-YJBOKZPZSA-N 1 3 306.450 2.077 20 0 DEADHO C[C@H]1C[N@@H+](Cc2ccc(OCCN(C)C)cc2)C[C@@]1(C)CO ZINC000668738095 540721872 /nfs/dbraw/zinc/72/18/72/540721872.db2.gz FRBPKILLIGABOS-YJBOKZPZSA-N 1 3 306.450 2.077 20 0 DEADHO O[C@@H]1CCN(C2CC[NH+](C[C@@H]3CCOc4ccccc43)CC2)C1 ZINC000668740313 540722762 /nfs/dbraw/zinc/72/27/62/540722762.db2.gz TUSPTGJBQCCTBJ-DOTOQJQBSA-N 1 3 316.445 2.084 20 0 DEADHO C[C@H](NC(=O)N[C@@H]1CCC[NH2+]CC1)[C@@H](c1ccccc1)N(C)C ZINC000669583341 540868754 /nfs/dbraw/zinc/86/87/54/540868754.db2.gz KNRFBQZJYMYZHB-UAGQMJEPSA-N 1 3 318.465 2.119 20 0 DEADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CCCn3cncn3)CC2)C1 ZINC000628213717 366769757 /nfs/dbraw/zinc/76/97/57/366769757.db2.gz UZWDITPPFQUCOX-NVXWUHKLSA-N 1 3 305.470 2.301 20 0 DEADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCCn3cncn3)CC2)C1 ZINC000628213717 366769767 /nfs/dbraw/zinc/76/97/67/366769767.db2.gz UZWDITPPFQUCOX-NVXWUHKLSA-N 1 3 305.470 2.301 20 0 DEADHO CN(C)C[C@@H](NC(=O)CCCC[NH+](C)C)c1ccc(F)cc1 ZINC000673341094 541100869 /nfs/dbraw/zinc/10/08/69/541100869.db2.gz YMXYEKVBXPISJY-MRXNPFEDSA-N 1 3 309.429 2.277 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000195156030 201349713 /nfs/dbraw/zinc/34/97/13/201349713.db2.gz YJMYPXWKUFLPBO-ZFWWWQNUSA-N 1 3 309.479 2.247 20 0 DEADHO CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000619895359 363891839 /nfs/dbraw/zinc/89/18/39/363891839.db2.gz UIVVIWBVFISCQK-SFHVURJKSA-N 1 3 315.461 2.497 20 0 DEADHO CCC[N@H+]1CC[C@H](NC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000619895359 363891841 /nfs/dbraw/zinc/89/18/41/363891841.db2.gz UIVVIWBVFISCQK-SFHVURJKSA-N 1 3 315.461 2.497 20 0 DEADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(C2CCCC2)CC1 ZINC000675199288 541302289 /nfs/dbraw/zinc/30/22/89/541302289.db2.gz IJQUNRBSYCBVMR-INIZCTEOSA-N 1 3 322.497 2.131 20 0 DEADHO C[C@H](C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)N1CCCCCC1 ZINC000621105467 364256993 /nfs/dbraw/zinc/25/69/93/364256993.db2.gz RWNQHTIROBRSOD-SJLPKXTDSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H](C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)N1CCCCCC1 ZINC000621105467 364257001 /nfs/dbraw/zinc/25/70/01/364257001.db2.gz RWNQHTIROBRSOD-SJLPKXTDSA-N 1 3 321.509 2.489 20 0 DEADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1cccc(CN3CCCC3)c1)C2 ZINC000621695527 364512043 /nfs/dbraw/zinc/51/20/43/364512043.db2.gz WNAFARNZQYTZSS-MJGOQNOKSA-N 1 3 313.445 2.236 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000623058119 364871330 /nfs/dbraw/zinc/87/13/30/364871330.db2.gz QXKITOCYEZBYCB-ZFWWWQNUSA-N 1 3 304.438 2.339 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@@H]2CC[NH2+]CC2(C)C)c1 ZINC000623065782 364874028 /nfs/dbraw/zinc/87/40/28/364874028.db2.gz OKNXLWKZPYMRCE-OAHLLOKOSA-N 1 3 304.438 2.258 20 0 DEADHO C[C@@H](Cc1coc2ccccc12)NC[C@H](O)C[NH+]1CCCC1 ZINC000449095289 240049566 /nfs/dbraw/zinc/04/95/66/240049566.db2.gz XNSVCWWGIZXNDD-HOCLYGCPSA-N 1 3 302.418 2.410 20 0 DEADHO C(C1CC1)N1CCC([NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000675883151 541390766 /nfs/dbraw/zinc/39/07/66/541390766.db2.gz XAQKSIZVCXLOCK-IBGZPJMESA-N 1 3 321.509 2.094 20 0 DEADHO Cc1cc(C)c(NC(=O)CCCN2C[C@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000675953517 541398293 /nfs/dbraw/zinc/39/82/93/541398293.db2.gz LWLJGNSMKPPWJJ-CALCHBBNSA-N 1 3 315.461 2.482 20 0 DEADHO C[C@H](Cc1coc2ccccc12)[NH2+]CC1(O)CCN(C)CC1 ZINC000449164838 240139228 /nfs/dbraw/zinc/13/92/28/240139228.db2.gz RLYHRRFJWKDZGD-CQSZACIVSA-N 1 3 302.418 2.410 20 0 DEADHO COc1cc(F)cc(CNCC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000449186063 240164236 /nfs/dbraw/zinc/16/42/36/240164236.db2.gz HDCHOGVBUKAPDC-UHFFFAOYSA-N 1 3 310.413 2.159 20 0 DEADHO CC1(C)C[C@@]1(CNC[C@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000629585319 367263361 /nfs/dbraw/zinc/26/33/61/367263361.db2.gz RDQJOXQBOOIFDE-PKOBYXMFSA-N 1 3 302.462 2.401 20 0 DEADHO FC(F)CN1CCC[C@@H]1CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000629518982 367231758 /nfs/dbraw/zinc/23/17/58/367231758.db2.gz NSFHRKLNVJOVPH-KBUPBQIOSA-N 1 3 301.425 2.226 20 0 DEADHO COc1ccc(C[C@@H](C)NCC2([NH3+])CCOCC2)c(C)c1OC ZINC000629520657 367233622 /nfs/dbraw/zinc/23/36/22/367233622.db2.gz LUFOHHBBEYAKBY-CYBMUJFWSA-N 1 3 322.449 2.041 20 0 DEADHO Fc1cccc(OC2CCN(C[C@H]3CCC4(C[NH2+]C4)O3)CC2)c1 ZINC000629552845 367246207 /nfs/dbraw/zinc/24/62/07/367246207.db2.gz RFZDFKDBIVYPTJ-QGZVFWFLSA-N 1 3 320.408 2.190 20 0 DEADHO O[C@@H](C[NH2+]C[C@H]1SCCc2ccccc21)CN1CCCC1 ZINC000629564498 367254921 /nfs/dbraw/zinc/25/49/21/367254921.db2.gz LOCAQDQCFJCUOX-DOTOQJQBSA-N 1 3 306.475 2.063 20 0 DEADHO CC[C@@H](C[NH2+]C[C@H](O)CN1CCCC1)Oc1ccccc1C ZINC000629568668 367255403 /nfs/dbraw/zinc/25/54/03/367255403.db2.gz SOFHFZNRVJLRQA-IRXDYDNUSA-N 1 3 306.450 2.199 20 0 DEADHO CC(C)(C)c1cccc(OCC[NH2+]C[C@@H](O)CN2CCCC2)c1 ZINC000629569089 367256404 /nfs/dbraw/zinc/25/64/04/367256404.db2.gz WDGQHDMOZCKUSR-QGZVFWFLSA-N 1 3 320.477 2.409 20 0 DEADHO C[C@@]1(CNC[C@H](O)C[NH+]2CCCC2)CCCc2ccccc21 ZINC000629577692 367258165 /nfs/dbraw/zinc/25/81/65/367258165.db2.gz ZHDCAYQCMFDYOD-HKUYNNGSSA-N 1 3 302.462 2.327 20 0 DEADHO O[C@H](CN[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)C[NH+]1CCCC1 ZINC000629575480 367258271 /nfs/dbraw/zinc/25/82/71/367258271.db2.gz SFPAVACJQUTVEJ-KZNAEPCWSA-N 1 3 322.424 2.092 20 0 DEADHO Cc1cc(CN(C)CCOCC[NH3+])ccc1Br ZINC000629662193 367291504 /nfs/dbraw/zinc/29/15/04/367291504.db2.gz GDJUOPOYMWNYPY-UHFFFAOYSA-N 1 3 301.228 2.165 20 0 DEADHO COc1cccc(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1OC ZINC000677237111 541562829 /nfs/dbraw/zinc/56/28/29/541562829.db2.gz OJKAGZKPORERND-JKSUJKDBSA-N 1 3 304.434 2.463 20 0 DEADHO COc1cccc(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1OC ZINC000677237111 541562834 /nfs/dbraw/zinc/56/28/34/541562834.db2.gz OJKAGZKPORERND-JKSUJKDBSA-N 1 3 304.434 2.463 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C1CCN(C)CC1 ZINC000631195347 368072795 /nfs/dbraw/zinc/07/27/95/368072795.db2.gz FOUSKMNOZXTIMD-SJLPKXTDSA-N 1 3 301.478 2.438 20 0 DEADHO CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](n3cc(CN)nn3)C2)cc1 ZINC000631847559 368423444 /nfs/dbraw/zinc/42/34/44/368423444.db2.gz XDXLWOIOECYSMN-QGZVFWFLSA-N 1 3 313.449 2.481 20 0 DEADHO CC(C)(C)c1ccc(C[N@H+]2CC[C@@H](n3cc(CN)nn3)C2)cc1 ZINC000631847559 368423448 /nfs/dbraw/zinc/42/34/48/368423448.db2.gz XDXLWOIOECYSMN-QGZVFWFLSA-N 1 3 313.449 2.481 20 0 DEADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCCN1C1CCCC1 ZINC000440112150 284067454 /nfs/dbraw/zinc/06/74/54/284067454.db2.gz XESAHURZTLTTSB-PVAVHDDUSA-N 1 3 305.466 2.136 20 0 DEADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCCN1C1CCCC1 ZINC000440112150 284067456 /nfs/dbraw/zinc/06/74/56/284067456.db2.gz XESAHURZTLTTSB-PVAVHDDUSA-N 1 3 305.466 2.136 20 0 DEADHO CC(C)C[C@H](N)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000262248301 203239700 /nfs/dbraw/zinc/23/97/00/203239700.db2.gz BXGNGYHSNMCCMH-KRWDZBQOSA-N 1 3 303.450 2.272 20 0 DEADHO C[C@H](CCCc1cccnc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000453222970 245004202 /nfs/dbraw/zinc/00/42/02/245004202.db2.gz SRUIBEZWUVSKQC-QGZVFWFLSA-N 1 3 318.509 2.408 20 0 DEADHO C[C@H](CCCCO)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000679341159 541841639 /nfs/dbraw/zinc/84/16/39/541841639.db2.gz XDLUTGJTKIPTMB-MRXNPFEDSA-N 1 3 320.477 2.284 20 0 DEADHO CC1(C)[C@@H](O)C[C@@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000679375063 541845940 /nfs/dbraw/zinc/84/59/40/541845940.db2.gz YRDIVJQOMGWBJI-ROUUACIJSA-N 1 3 318.461 2.410 20 0 DEADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCN1C ZINC000266457366 205361483 /nfs/dbraw/zinc/36/14/83/205361483.db2.gz YXBWHQWMLNCXFM-ROUUACIJSA-N 1 3 315.461 2.061 20 0 DEADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCN1C ZINC000266457366 205361485 /nfs/dbraw/zinc/36/14/85/205361485.db2.gz YXBWHQWMLNCXFM-ROUUACIJSA-N 1 3 315.461 2.061 20 0 DEADHO Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)N ZINC000530223326 284377753 /nfs/dbraw/zinc/37/77/53/284377753.db2.gz UAYMCUXGGJQEDZ-SSKCKEOISA-N 1 3 319.424 2.500 20 0 DEADHO CO[C@H](Cc1ccc(F)cc1)CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000530218851 284376208 /nfs/dbraw/zinc/37/62/08/284376208.db2.gz NRONOVLRUCLKPY-HPBDAGMYSA-N 1 3 306.425 2.442 20 0 DEADHO C[C@H](NC(=O)N[C@@H]1CCCN(C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000679687121 541900103 /nfs/dbraw/zinc/90/01/03/541900103.db2.gz XGNIPORZYYPFKH-HRCADAONSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](NC(=O)N[C@@H]1CCCN(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000679687121 541900110 /nfs/dbraw/zinc/90/01/10/541900110.db2.gz XGNIPORZYYPFKH-HRCADAONSA-N 1 3 322.497 2.033 20 0 DEADHO CC(C)N1CC[C@@H](N(C)C(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC000457418270 247796004 /nfs/dbraw/zinc/79/60/04/247796004.db2.gz GVKUFORVWIVGSN-MRXNPFEDSA-N 1 3 312.502 2.229 20 0 DEADHO CC(C)N1CC[C@H](N(C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000458515214 248351776 /nfs/dbraw/zinc/35/17/76/248351776.db2.gz KXELPLRXSUOUPV-GJZGRUSLSA-N 1 3 312.502 2.087 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCO)cc1 ZINC000681704630 542192612 /nfs/dbraw/zinc/19/26/12/542192612.db2.gz HDAOCRJFVAJRRX-SJLPKXTDSA-N 1 3 306.450 2.268 20 0 DEADHO CN1CCC(O)(C[NH2+][C@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000284372762 218001697 /nfs/dbraw/zinc/00/16/97/218001697.db2.gz OJNVCOLKZNVADE-IRXDYDNUSA-N 1 3 318.461 2.279 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CC=CCC3)CC2)CC1 ZINC000050800513 183804737 /nfs/dbraw/zinc/80/47/37/183804737.db2.gz ULIOCPOLKYFOOE-HNNXBMFYSA-N 1 3 305.466 2.018 20 0 DEADHO C[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc2c(c1)COC2 ZINC000268879604 207049121 /nfs/dbraw/zinc/04/91/21/207049121.db2.gz XHTJREQYKXPZKJ-CQSZACIVSA-N 1 3 304.434 2.214 20 0 DEADHO [NH3+]CC1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000269178168 207297551 /nfs/dbraw/zinc/29/75/51/207297551.db2.gz GWTSPTMRUNGLNG-UHFFFAOYSA-N 1 3 301.434 2.093 20 0 DEADHO COCCN1CCC([NH2+]C[C@H]2CCCN2C2CCCCC2)CC1 ZINC000436291487 285012838 /nfs/dbraw/zinc/01/28/38/285012838.db2.gz AKHTVRMYIGFMMC-LJQANCHMSA-N 1 3 323.525 2.484 20 0 DEADHO CN1CCC(C[NH2+][C@@H]2CCCCC2(C)C)(N2CCOCC2)CC1 ZINC000556890119 291850407 /nfs/dbraw/zinc/85/04/07/291850407.db2.gz KJAQGMJHJKPTPS-QGZVFWFLSA-N 1 3 323.525 2.341 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@@H](C)C[NH2+]C ZINC000418366334 285099117 /nfs/dbraw/zinc/09/91/17/285099117.db2.gz FQEAKUQGCFDWKV-HNNXBMFYSA-N 1 3 320.481 2.135 20 0 DEADHO COc1ccc([C@@H](NCCN2CCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422774001 533131366 /nfs/dbraw/zinc/13/13/66/533131366.db2.gz ZQIJOMNLMZYREI-QZTJIDSGSA-N 1 3 303.450 2.174 20 0 DEADHO CCN1CCC([NH2+][C@@H]2CNCC[C@@H]2c2ccc(OC)cc2)CC1 ZINC000423327878 285191987 /nfs/dbraw/zinc/19/19/87/285191987.db2.gz KMDUIASVOWSHTJ-RTBURBONSA-N 1 3 317.477 2.215 20 0 DEADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)Cc1nc(C)cs1 ZINC000349037442 285282751 /nfs/dbraw/zinc/28/27/51/285282751.db2.gz RVUZWUHUEWURFS-HNNXBMFYSA-N 1 3 310.511 2.299 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(COC)o1 ZINC000349035865 285282795 /nfs/dbraw/zinc/28/27/95/285282795.db2.gz QCHFLDRTLWVFNT-INIZCTEOSA-N 1 3 323.481 2.274 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(COC)o1 ZINC000349035865 285282796 /nfs/dbraw/zinc/28/27/96/285282796.db2.gz QCHFLDRTLWVFNT-INIZCTEOSA-N 1 3 323.481 2.274 20 0 DEADHO CCC[NH+]1CCC(CNC(=O)CCN(C)c2ccncc2)CC1 ZINC000543713327 285305758 /nfs/dbraw/zinc/30/57/58/285305758.db2.gz RUFTWQUPFFNUJR-UHFFFAOYSA-N 1 3 318.465 2.146 20 0 DEADHO c1n[nH]cc1CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000289715083 221173079 /nfs/dbraw/zinc/17/30/79/221173079.db2.gz JIMGFMIRWQYMEU-IPMKNSEASA-N 1 3 310.445 2.452 20 0 DEADHO C[C@H](C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)[C@H](N)c1ccccc1 ZINC000294974591 224350949 /nfs/dbraw/zinc/35/09/49/224350949.db2.gz JIMFNXRXOKQTLZ-QGTPRVQTSA-N 1 3 315.461 2.171 20 0 DEADHO C[C@@H](NC(=O)NC[C@H]1N(C)CCCC1(C)C)C1CC[NH+](C)CC1 ZINC000684117400 542553678 /nfs/dbraw/zinc/55/36/78/542553678.db2.gz OCQBNESPQJIDPS-GDBMZVCRSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@H]([NH2+]C[C@@H]1CNc2ccnn2C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000684201471 542570592 /nfs/dbraw/zinc/57/05/92/542570592.db2.gz OGROAZVAKNUJHM-ARFHVFGLSA-N 1 3 317.481 2.167 20 0 DEADHO C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CCC[C@H](CC[NH3+])C1 ZINC000443061159 533280223 /nfs/dbraw/zinc/28/02/23/533280223.db2.gz RALKLNAQFTXWIR-DZGCQCFKSA-N 1 3 323.868 2.406 20 0 DEADHO C[C@@H](NC[C@H](CO)Cc1ccccc1C(F)(F)F)C1C[NH2+]C1 ZINC000422994216 533429332 /nfs/dbraw/zinc/42/93/32/533429332.db2.gz UXFXUPJPMXMOLD-VXGBXAGGSA-N 1 3 316.367 2.054 20 0 DEADHO C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F)C1CNC1 ZINC000422994216 533429338 /nfs/dbraw/zinc/42/93/38/533429338.db2.gz UXFXUPJPMXMOLD-VXGBXAGGSA-N 1 3 316.367 2.054 20 0 DEADHO C[C@@H](CCCC[NH3+])NCc1nnc2ccc(C(F)(F)F)cn21 ZINC000422799762 533539908 /nfs/dbraw/zinc/53/99/08/533539908.db2.gz YJMJIDMATGNTKR-JTQLQIEISA-N 1 3 315.343 2.355 20 0 DEADHO Cc1cc(CN2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)ccc1-n1cncn1 ZINC000422561339 533635830 /nfs/dbraw/zinc/63/58/30/533635830.db2.gz KRKAHNFVKVHZGL-UNEWFSDZSA-N 1 3 313.449 2.381 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+](C)CCCn2ccnc2)cc1 ZINC000685462467 542728356 /nfs/dbraw/zinc/72/83/56/542728356.db2.gz BVVWMNDFGMZLLJ-UHFFFAOYSA-N 1 3 316.449 2.346 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+](C)CCCn2ccnc2)cc1 ZINC000685462467 542728359 /nfs/dbraw/zinc/72/83/59/542728359.db2.gz BVVWMNDFGMZLLJ-UHFFFAOYSA-N 1 3 316.449 2.346 20 0 DEADHO C[C@@H]1CN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CCN(C2CCC2)C1 ZINC000562814975 292012650 /nfs/dbraw/zinc/01/26/50/292012650.db2.gz GVKYBDUUNWDFGQ-ZOBUZTSGSA-N 1 3 322.497 2.020 20 0 DEADHO CCOC[C@H]1CCC[C@H]1[NH2+]CCCCN1CCN(CC)CC1 ZINC000353918403 133011567 /nfs/dbraw/zinc/01/15/67/133011567.db2.gz TXQIJXWEELDZPR-QZTJIDSGSA-N 1 3 311.514 2.199 20 0 DEADHO CC(C)[NH+](CCN(C)C(=O)N[C@@H]1CCN(C)[C@H](C)C1)C(C)C ZINC000355947585 133057330 /nfs/dbraw/zinc/05/73/30/133057330.db2.gz RDTMHLPDTHNGAM-HZPDHXFCSA-N 1 3 312.502 2.229 20 0 DEADHO CN1CCC(O)(C[NH2+]CCc2ccc(F)cc2Cl)CC1 ZINC000356186919 133071359 /nfs/dbraw/zinc/07/13/59/133071359.db2.gz KEHXFVBTDPKFFI-UHFFFAOYSA-N 1 3 300.805 2.068 20 0 DEADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(C(=O)NC2CC2)c1 ZINC000358027397 133116788 /nfs/dbraw/zinc/11/67/88/133116788.db2.gz RCXIUJISKHYOKL-GLJUWKHASA-N 1 3 315.461 2.397 20 0 DEADHO C[C@H](CNC(=O)N[C@@H](C)C1=CCN(C)CC1)[NH+]1CCC(C)CC1 ZINC000358101082 133121142 /nfs/dbraw/zinc/12/11/42/133121142.db2.gz QSRFFPIGEMMQAT-CVEARBPZSA-N 1 3 322.497 2.056 20 0 DEADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1cccc(CN2CCCC2=O)c1 ZINC000358101415 133121267 /nfs/dbraw/zinc/12/12/67/133121267.db2.gz USTPGBIQPQSSBU-MAUKXSAKSA-N 1 3 315.461 2.239 20 0 DEADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1cccc(CN2CCCC2=O)c1 ZINC000358101415 133121268 /nfs/dbraw/zinc/12/12/68/133121268.db2.gz USTPGBIQPQSSBU-MAUKXSAKSA-N 1 3 315.461 2.239 20 0 DEADHO CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000360049937 133159227 /nfs/dbraw/zinc/15/92/27/133159227.db2.gz HWKQFVLKCINJLP-HZPDHXFCSA-N 1 3 312.502 2.233 20 0 DEADHO C[C@@]1(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC[NH2+]C1 ZINC000362573871 133239600 /nfs/dbraw/zinc/23/96/00/133239600.db2.gz XYSRSEBBWGFLJG-CYBMUJFWSA-N 1 3 301.312 2.102 20 0 DEADHO Cc1cccc(CN(CCN(C)C)C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000362747829 133248965 /nfs/dbraw/zinc/24/89/65/133248965.db2.gz NFLWCVINNUNEDI-AEFFLSMTSA-N 1 3 317.477 2.083 20 0 DEADHO Cc1cccc(CN(CCN(C)C)C(=O)[C@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000362747829 133248966 /nfs/dbraw/zinc/24/89/66/133248966.db2.gz NFLWCVINNUNEDI-AEFFLSMTSA-N 1 3 317.477 2.083 20 0 DEADHO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000362892006 133257608 /nfs/dbraw/zinc/25/76/08/133257608.db2.gz CWTKASVASSFBPH-WMLDXEAASA-N 1 3 303.450 2.207 20 0 DEADHO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000362892006 133257609 /nfs/dbraw/zinc/25/76/09/133257609.db2.gz CWTKASVASSFBPH-WMLDXEAASA-N 1 3 303.450 2.207 20 0 DEADHO C[C@@H]1CN(CC2CC[NH+](CCOC3CCC3)CC2)C[C@H](C)O1 ZINC000376499308 133297132 /nfs/dbraw/zinc/29/71/32/133297132.db2.gz CFDBTNAXKBBHBP-IYBDPMFKSA-N 1 3 310.482 2.377 20 0 DEADHO CC[NH+](CC)[C@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000377757832 133345466 /nfs/dbraw/zinc/34/54/66/133345466.db2.gz GBZAZKNHOVILMB-CJNGLKHVSA-N 1 3 301.450 2.045 20 0 DEADHO NCc1cc(NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)cc(C(F)(F)F)c1 ZINC000373366534 133387956 /nfs/dbraw/zinc/38/79/56/133387956.db2.gz SMJUQCXMYKYWLF-TZMCWYRMSA-N 1 3 313.323 2.102 20 0 DEADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000563536699 292061931 /nfs/dbraw/zinc/06/19/31/292061931.db2.gz DIPSUCUACSZSGU-CABCVRRESA-N 1 3 303.450 2.141 20 0 DEADHO C[C@H](N[C@@H]1CCC[NH2+]CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000564823681 292113150 /nfs/dbraw/zinc/11/31/50/292113150.db2.gz UIAWJXYANCPCTI-QXAKKESOSA-N 1 3 317.477 2.008 20 0 DEADHO COC(=O)CCN(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000565048254 292129881 /nfs/dbraw/zinc/12/98/81/292129881.db2.gz JQSODCXNQDVYEZ-CQSZACIVSA-N 1 3 310.463 2.373 20 0 DEADHO COC(=O)CCN(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000565048254 292129883 /nfs/dbraw/zinc/12/98/83/292129883.db2.gz JQSODCXNQDVYEZ-CQSZACIVSA-N 1 3 310.463 2.373 20 0 DEADHO CC[N@@H+]1CC[C@@H](NCCNc2cc(OC)cc(OC)c2)[C@@H](C)C1 ZINC000246301103 145098057 /nfs/dbraw/zinc/09/80/57/145098057.db2.gz DBHCJJSIKASFHR-KBXCAEBGSA-N 1 3 321.465 2.436 20 0 DEADHO CC[N@H+]1CC[C@@H](NCCNc2cc(OC)cc(OC)c2)[C@@H](C)C1 ZINC000246301103 145098059 /nfs/dbraw/zinc/09/80/59/145098059.db2.gz DBHCJJSIKASFHR-KBXCAEBGSA-N 1 3 321.465 2.436 20 0 DEADHO C[C@H]1CCN(C(=O)C[C@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000246561404 145107013 /nfs/dbraw/zinc/10/70/13/145107013.db2.gz ULFXERJTYLGXKF-FUHWJXTLSA-N 1 3 315.461 2.252 20 0 DEADHO COc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCCN(C)CC1)CC2 ZINC000246966838 145120670 /nfs/dbraw/zinc/12/06/70/145120670.db2.gz JCTNVTSJPGMYGI-IBGZPJMESA-N 1 3 317.477 2.300 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000247371680 145135427 /nfs/dbraw/zinc/13/54/27/145135427.db2.gz RZBQQHNVHVJPRZ-IRXDYDNUSA-N 1 3 324.513 2.234 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000247371680 145135428 /nfs/dbraw/zinc/13/54/28/145135428.db2.gz RZBQQHNVHVJPRZ-IRXDYDNUSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCCN1CCCC1 ZINC000247978918 145146910 /nfs/dbraw/zinc/14/69/10/145146910.db2.gz LXQHPWOEHXFFEG-IEBWSBKVSA-N 1 3 316.493 2.368 20 0 DEADHO C[C@H](C(=O)NCC1(C[NH+](C)C)CCCC1)N1[C@H](C)CC[C@H]1C ZINC000248731538 145165625 /nfs/dbraw/zinc/16/56/25/145165625.db2.gz MXKGRNJMFFPTGL-BZUAXINKSA-N 1 3 309.498 2.486 20 0 DEADHO CN1CCC[C@@H](CNC(=O)C[NH2+]CC2CC2)[C@H]1c1cccs1 ZINC000252671428 145199583 /nfs/dbraw/zinc/19/95/83/145199583.db2.gz VSMATHBABLGFBD-YOEHRIQHSA-N 1 3 321.490 2.247 20 0 DEADHO C[C@@H](NC(=O)[C@H]1CCCCN1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261539441 145206402 /nfs/dbraw/zinc/20/64/02/145206402.db2.gz CLIIZWPYSMFRFX-KBAYOESNSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H](NC(=O)[C@H]1CCCCN1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261539441 145206405 /nfs/dbraw/zinc/20/64/05/145206405.db2.gz CLIIZWPYSMFRFX-KBAYOESNSA-N 1 3 315.461 2.155 20 0 DEADHO O=C(CC[C@H]1CCC[NH2+]1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000261549692 145206717 /nfs/dbraw/zinc/20/67/17/145206717.db2.gz PAKJWMATRVCQDK-QZTJIDSGSA-N 1 3 315.461 2.299 20 0 DEADHO CSc1ccccc1NC(=O)CCN1CC[C@@](C)(C[NH3+])C1 ZINC000261685548 145216140 /nfs/dbraw/zinc/21/61/40/145216140.db2.gz KJUDGGJVPRXJPP-INIZCTEOSA-N 1 3 307.463 2.408 20 0 DEADHO CSc1ccccc1NC(=O)CC[N@@H+]1CC[C@@](C)(CN)C1 ZINC000261685548 145216141 /nfs/dbraw/zinc/21/61/41/145216141.db2.gz KJUDGGJVPRXJPP-INIZCTEOSA-N 1 3 307.463 2.408 20 0 DEADHO CSc1ccccc1NC(=O)CC[N@H+]1CC[C@@](C)(CN)C1 ZINC000261685548 145216142 /nfs/dbraw/zinc/21/61/42/145216142.db2.gz KJUDGGJVPRXJPP-INIZCTEOSA-N 1 3 307.463 2.408 20 0 DEADHO O=C(Nc1cccc(F)c1)C1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261914572 145240945 /nfs/dbraw/zinc/24/09/45/145240945.db2.gz JPUNSCZRJGWVRH-CQSZACIVSA-N 1 3 319.424 2.476 20 0 DEADHO COc1cc(CN2CCC([C@H]3CCC[NH2+]3)CC2)cc2c1OCO2 ZINC000261966036 145248091 /nfs/dbraw/zinc/24/80/91/145248091.db2.gz YKNUTQSLZZOIFI-OAHLLOKOSA-N 1 3 318.417 2.388 20 0 DEADHO O=C(CNCC1CC1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000262001426 145252361 /nfs/dbraw/zinc/25/23/61/145252361.db2.gz VEANKMCEZJBMMC-UHFFFAOYSA-N 1 3 307.482 2.291 20 0 DEADHO Cc1nn(-c2ccccn2)c(C)c1CN1CCC([C@@H](C)[NH3+])CC1 ZINC000262046610 145256562 /nfs/dbraw/zinc/25/65/62/145256562.db2.gz ZAZNLIJLEZMGJX-CYBMUJFWSA-N 1 3 313.449 2.443 20 0 DEADHO O=C(CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)N1CCCCC1 ZINC000262326256 145276778 /nfs/dbraw/zinc/27/67/78/145276778.db2.gz RVZJYNHBVDUYRW-BRWVUGGUSA-N 1 3 307.482 2.289 20 0 DEADHO CCN(CCC[NH+](CC)CC)C(=O)[C@H](N)Cc1ccccc1 ZINC000318199991 145367945 /nfs/dbraw/zinc/36/79/45/145367945.db2.gz VWWUJYUSTAXVHL-QGZVFWFLSA-N 1 3 305.466 2.137 20 0 DEADHO CCN(C[C@@H](O)C[N@H+](C)CC)[C@H](C)Cc1ccc(OC)cc1 ZINC000565165530 292139564 /nfs/dbraw/zinc/13/95/64/292139564.db2.gz QVWNIEKFUCJLAV-WBVHZDCISA-N 1 3 308.466 2.261 20 0 DEADHO CCN(C[C@@H](O)C[N@@H+](C)CC)[C@H](C)Cc1ccc(OC)cc1 ZINC000565165530 292139565 /nfs/dbraw/zinc/13/95/65/292139565.db2.gz QVWNIEKFUCJLAV-WBVHZDCISA-N 1 3 308.466 2.261 20 0 DEADHO C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000346155553 146025693 /nfs/dbraw/zinc/02/56/93/146025693.db2.gz ARMRJBLEIVQAGZ-GOEBONIOSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@@H]1CCN(C)CCN1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000346571164 146104153 /nfs/dbraw/zinc/10/41/53/146104153.db2.gz OAUULTHBOYGPCF-OAHLLOKOSA-N 1 3 318.465 2.349 20 0 DEADHO Cc1nc(COc2ccc(CN3C[C@H](C[NH3+])C[C@H]3C)cc2)no1 ZINC000346686171 146123842 /nfs/dbraw/zinc/12/38/42/146123842.db2.gz TVXVHPYNAMACSW-DOMZBBRYSA-N 1 3 316.405 2.126 20 0 DEADHO COCCOc1ccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000346848932 146152791 /nfs/dbraw/zinc/15/27/91/146152791.db2.gz FQWWRPMIZUYPAT-JQHSSLGASA-N 1 3 304.434 2.271 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccccc2N2CCOCC2)C1 ZINC000347008712 146178950 /nfs/dbraw/zinc/17/89/50/146178950.db2.gz RYIVFTWUUBGDGQ-JKSUJKDBSA-N 1 3 303.450 2.082 20 0 DEADHO C[N@@H+]1CC[C@H](NC[C@](C)(CO)c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000348296666 146250147 /nfs/dbraw/zinc/25/01/47/146250147.db2.gz XAMHXDHCMZXYQK-YDZRNGNQSA-N 1 3 302.462 2.399 20 0 DEADHO C[N@H+]1CC[C@H](NC[C@](C)(CO)c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000348296666 146250149 /nfs/dbraw/zinc/25/01/49/146250149.db2.gz XAMHXDHCMZXYQK-YDZRNGNQSA-N 1 3 302.462 2.399 20 0 DEADHO Cc1oc(C(C)C)cc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000552139845 285945712 /nfs/dbraw/zinc/94/57/12/285945712.db2.gz QMMJJTJSIMPIMO-UHFFFAOYSA-N 1 3 309.454 2.277 20 0 DEADHO COC(=O)c1ccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000357039846 147028322 /nfs/dbraw/zinc/02/83/22/147028322.db2.gz AYTKZHHAJBYMCV-QGZVFWFLSA-N 1 3 302.418 2.295 20 0 DEADHO C[C@H](C1CC1)N(C(=O)CN1CCC([C@@H]2CC[NH2+]C2)CC1)C1CC1 ZINC000357072755 147035534 /nfs/dbraw/zinc/03/55/34/147035534.db2.gz HOYZFBGWAAGUDA-RHSMWYFYSA-N 1 3 319.493 2.097 20 0 DEADHO CC(C)N(C(=O)[C@@H](C)N1CCC([C@H]2CC[NH2+]C2)CC1)C(C)C ZINC000357075920 147036348 /nfs/dbraw/zinc/03/63/48/147036348.db2.gz JKOQGDLLUAAMLI-WBVHZDCISA-N 1 3 309.498 2.342 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000357241353 147070951 /nfs/dbraw/zinc/07/09/51/147070951.db2.gz KRTAAVVMDCOLMF-JFIYKMOQSA-N 1 3 307.482 2.147 20 0 DEADHO C[C@H](CN(C)C)NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000358537125 147152137 /nfs/dbraw/zinc/15/21/37/147152137.db2.gz ZESQBDQMKGLNQC-SJORKVTESA-N 1 3 324.513 2.090 20 0 DEADHO CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H]1CCCN1C ZINC000358550401 147154668 /nfs/dbraw/zinc/15/46/68/147154668.db2.gz WJDOHJDGFJLJML-QGZVFWFLSA-N 1 3 324.513 2.378 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000358854990 147219451 /nfs/dbraw/zinc/21/94/51/147219451.db2.gz KSLZALJAHFOOPO-WMLDXEAASA-N 1 3 321.440 2.249 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000358854990 147219459 /nfs/dbraw/zinc/21/94/59/147219459.db2.gz KSLZALJAHFOOPO-WMLDXEAASA-N 1 3 321.440 2.249 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000358854989 147219494 /nfs/dbraw/zinc/21/94/94/147219494.db2.gz KSLZALJAHFOOPO-RHSMWYFYSA-N 1 3 321.440 2.249 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000358854989 147219496 /nfs/dbraw/zinc/21/94/96/147219496.db2.gz KSLZALJAHFOOPO-RHSMWYFYSA-N 1 3 321.440 2.249 20 0 DEADHO C[N@H+](CCNC(=O)[C@H](CN)c1ccc(F)cc1)C1CCCCC1 ZINC000358861520 147220735 /nfs/dbraw/zinc/22/07/35/147220735.db2.gz SALZDUJMNSAYTA-QGZVFWFLSA-N 1 3 321.440 2.249 20 0 DEADHO C[N@@H+](CCNC(=O)[C@H](CN)c1ccc(F)cc1)C1CCCCC1 ZINC000358861520 147220737 /nfs/dbraw/zinc/22/07/37/147220737.db2.gz SALZDUJMNSAYTA-QGZVFWFLSA-N 1 3 321.440 2.249 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](CN)c2ccc(F)cc2)C1 ZINC000358860565 147220923 /nfs/dbraw/zinc/22/09/23/147220923.db2.gz DWNUPVCFAOULEW-YOEHRIQHSA-N 1 3 321.440 2.105 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H](CN)c2ccc(F)cc2)C1 ZINC000358860565 147220925 /nfs/dbraw/zinc/22/09/25/147220925.db2.gz DWNUPVCFAOULEW-YOEHRIQHSA-N 1 3 321.440 2.105 20 0 DEADHO CC[NH2+][C@@H](C)CNC(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000358922823 147231084 /nfs/dbraw/zinc/23/10/84/147231084.db2.gz BYZIULDYWZOYDO-AWEZNQCLSA-N 1 3 303.450 2.399 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000361426578 147510137 /nfs/dbraw/zinc/51/01/37/147510137.db2.gz SQQTZVHLTMUFIY-DLBZAZTESA-N 1 3 324.513 2.425 20 0 DEADHO COC1CCN(C2(C[NH2+][C@@H]3CCN(C)C[C@H]3C)CCCC2)CC1 ZINC000361232356 292169463 /nfs/dbraw/zinc/16/94/63/292169463.db2.gz NIENDXBFHRLFNQ-SJLPKXTDSA-N 1 3 323.525 2.340 20 0 DEADHO C[C@@H](CC(=O)Nc1cc(CN(C)C)ccn1)[C@H]1CCC[NH2+]C1 ZINC000565714984 292177319 /nfs/dbraw/zinc/17/73/19/292177319.db2.gz PUBYHKDLIDGZPF-ZFWWWQNUSA-N 1 3 304.438 2.108 20 0 DEADHO CCCNC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1Cl ZINC000565717103 292177386 /nfs/dbraw/zinc/17/73/86/292177386.db2.gz TVSXTLSHQKCBOQ-AOOOYVTPSA-N 1 3 309.797 2.156 20 0 DEADHO Cc1ccc(C(=O)NCCNCc2ccc3c(n2)CCC3)cc1 ZINC000565701591 292176693 /nfs/dbraw/zinc/17/66/93/292176693.db2.gz LGHZJHAIYIICBR-UHFFFAOYSA-N 1 3 309.413 2.398 20 0 DEADHO Cc1ccc(C(=O)NCC[NH2+]Cc2ccc3c(n2)CCC3)cc1 ZINC000565701591 292176694 /nfs/dbraw/zinc/17/66/94/292176694.db2.gz LGHZJHAIYIICBR-UHFFFAOYSA-N 1 3 309.413 2.398 20 0 DEADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000279683981 286024000 /nfs/dbraw/zinc/02/40/00/286024000.db2.gz HMQMUMKNRSNXON-LPHOPBHVSA-N 1 3 319.493 2.378 20 0 DEADHO Clc1ccc(CN2CCN(CC3CC[NH2+]CC3)CC2)cc1 ZINC000111824783 401724963 /nfs/dbraw/zinc/72/49/63/401724963.db2.gz UHMJRYNUGIXGQQ-UHFFFAOYSA-N 1 3 307.869 2.457 20 0 DEADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(C2CCCC2)CC1 ZINC000111883017 401726993 /nfs/dbraw/zinc/72/69/93/401726993.db2.gz YRBCFDFIHPADPW-KRWDZBQOSA-N 1 3 322.497 2.131 20 0 DEADHO CC[C@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000128004820 401759158 /nfs/dbraw/zinc/75/91/58/401759158.db2.gz UHVKZRJPEWALDU-IRXDYDNUSA-N 1 3 303.450 2.315 20 0 DEADHO CC[C@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000128004820 401759159 /nfs/dbraw/zinc/75/91/59/401759159.db2.gz UHVKZRJPEWALDU-IRXDYDNUSA-N 1 3 303.450 2.315 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000075956286 401774635 /nfs/dbraw/zinc/77/46/35/401774635.db2.gz DPHANNLDIQVZLR-INIZCTEOSA-N 1 3 304.438 2.306 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)C[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000130694332 401837312 /nfs/dbraw/zinc/83/73/12/401837312.db2.gz PZZVDHNDIZFTAE-LSDHHAIUSA-N 1 3 303.450 2.232 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)CN1C1CC1 ZINC000130682108 401837317 /nfs/dbraw/zinc/83/73/17/401837317.db2.gz HSGJYYXCNSNZPB-ZBFHGGJFSA-N 1 3 322.497 2.223 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000130710864 401838015 /nfs/dbraw/zinc/83/80/15/401838015.db2.gz GUPVIGRONHYHPK-JKSUJKDBSA-N 1 3 315.461 2.328 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC000078714965 401863116 /nfs/dbraw/zinc/86/31/16/401863116.db2.gz YVUMAXOJMRMPOV-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC000078714965 401863118 /nfs/dbraw/zinc/86/31/18/401863118.db2.gz YVUMAXOJMRMPOV-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](CNC(=O)[C@H](C)N1CCCCCC1)[NH+]1CCC(C)CC1 ZINC000078724346 401863598 /nfs/dbraw/zinc/86/35/98/401863598.db2.gz LDJNCSLMJHPLGP-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)(C)[C@H](N)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000118946084 401914801 /nfs/dbraw/zinc/91/48/01/401914801.db2.gz PUKXDJCQGGTLDX-IAGOWNOFSA-N 1 3 317.477 2.041 20 0 DEADHO CC(C)(C)[C@H](N)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000118946084 401914802 /nfs/dbraw/zinc/91/48/02/401914802.db2.gz PUKXDJCQGGTLDX-IAGOWNOFSA-N 1 3 317.477 2.041 20 0 DEADHO CC[C@H](C)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000090028324 401979295 /nfs/dbraw/zinc/97/92/95/401979295.db2.gz DIVDZLYJDOZYHU-HNNXBMFYSA-N 1 3 303.450 2.400 20 0 DEADHO C[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000044534832 401945014 /nfs/dbraw/zinc/94/50/14/401945014.db2.gz XFKROCGERCDLTI-KGLIPLIRSA-N 1 3 310.463 2.083 20 0 DEADHO CN1CCC[C@@H]1CC[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000089426056 401946065 /nfs/dbraw/zinc/94/60/65/401946065.db2.gz RLLWOEFMWYEIML-MRXNPFEDSA-N 1 3 321.490 2.427 20 0 DEADHO C[NH2+]CC1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000152317286 402089204 /nfs/dbraw/zinc/08/92/04/402089204.db2.gz GYFCMPUHDNHJSF-GOSISDBHSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000566193304 292216728 /nfs/dbraw/zinc/21/67/28/292216728.db2.gz LGFOPSHQCJGSOM-LJIGWXMPSA-N 1 3 318.465 2.074 20 0 DEADHO CC1(C)CC(NC(=O)N2CC[C@H](N3CCCC3)C2)CC(C)(C)[NH2+]1 ZINC000066173776 402129418 /nfs/dbraw/zinc/12/94/18/402129418.db2.gz JYUDAHBYOGEOBW-HNNXBMFYSA-N 1 3 322.497 2.175 20 0 DEADHO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000123701696 402142528 /nfs/dbraw/zinc/14/25/28/402142528.db2.gz KWCJPMOGHCJOAK-HNNXBMFYSA-N 1 3 305.466 2.485 20 0 DEADHO CCN(CC)C(=O)C[C@H](C)NCc1cccc(C[NH+](C)C)c1 ZINC000123701696 402142531 /nfs/dbraw/zinc/14/25/31/402142531.db2.gz KWCJPMOGHCJOAK-HNNXBMFYSA-N 1 3 305.466 2.485 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000102808020 402172769 /nfs/dbraw/zinc/17/27/69/402172769.db2.gz XZSKLIYBHMMXPV-KRWDZBQOSA-N 1 3 324.513 2.378 20 0 DEADHO CN(C)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000106786106 402216397 /nfs/dbraw/zinc/21/63/97/402216397.db2.gz LEJYEJOHUKHLPM-KRWDZBQOSA-N 1 3 315.461 2.495 20 0 DEADHO CN(C)Cc1ccc(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000106786106 402216400 /nfs/dbraw/zinc/21/64/00/402216400.db2.gz LEJYEJOHUKHLPM-KRWDZBQOSA-N 1 3 315.461 2.495 20 0 DEADHO CN(Cc1ccc(C[N@H+](C)[C@@H]2CCOC2)cc1)[C@@H]1CCOC1 ZINC000106883631 402220225 /nfs/dbraw/zinc/22/02/25/402220225.db2.gz NQRYVTNEIPERBU-QZTJIDSGSA-N 1 3 304.434 2.128 20 0 DEADHO CN(Cc1ccc(C[N@@H+](C)[C@@H]2CCOC2)cc1)[C@@H]1CCOC1 ZINC000106883631 402220227 /nfs/dbraw/zinc/22/02/27/402220227.db2.gz NQRYVTNEIPERBU-QZTJIDSGSA-N 1 3 304.434 2.128 20 0 DEADHO C[C@H]1CCC[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000104816440 402205591 /nfs/dbraw/zinc/20/55/91/402205591.db2.gz XDVGMTVTVWKUBT-WMLDXEAASA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000105129362 402206804 /nfs/dbraw/zinc/20/68/04/402206804.db2.gz JKEZYYXVRZPWOY-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000105129362 402206807 /nfs/dbraw/zinc/20/68/07/402206807.db2.gz JKEZYYXVRZPWOY-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)N2CCC[C@H](N(C)C)C2)CC1 ZINC000105133802 402207124 /nfs/dbraw/zinc/20/71/24/402207124.db2.gz KIIKPCPGXHDQKF-KRWDZBQOSA-N 1 3 324.513 2.234 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[NH+](C(C)C)C(C)C ZINC000176342506 402301085 /nfs/dbraw/zinc/30/10/85/402301085.db2.gz XSMXHUGQCVEBFI-SJORKVTESA-N 1 3 324.513 2.373 20 0 DEADHO C[C@H](c1cccc(Cl)c1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221162348 402302677 /nfs/dbraw/zinc/30/26/77/402302677.db2.gz DYJVGYAGGBNRSK-TZMCWYRMSA-N 1 3 309.841 2.188 20 0 DEADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)CCN(C)C)c1ccccc1 ZINC000176358980 402302893 /nfs/dbraw/zinc/30/28/93/402302893.db2.gz CNELMBBAMYUINO-HNNXBMFYSA-N 1 3 320.481 2.319 20 0 DEADHO C[C@H](CCNC(=O)N(C)CCN(C)C)[N@H+](C)Cc1ccccc1 ZINC000176436082 402309128 /nfs/dbraw/zinc/30/91/28/402309128.db2.gz SQBSXJBZUATNFY-MRXNPFEDSA-N 1 3 320.481 2.100 20 0 DEADHO C[C@H](CCNC(=O)N(C)CCN(C)C)[N@@H+](C)Cc1ccccc1 ZINC000176436082 402309130 /nfs/dbraw/zinc/30/91/30/402309130.db2.gz SQBSXJBZUATNFY-MRXNPFEDSA-N 1 3 320.481 2.100 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000159281985 402321065 /nfs/dbraw/zinc/32/10/65/402321065.db2.gz ZTLRGBWOMDXHHP-KRWDZBQOSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000159281985 402321068 /nfs/dbraw/zinc/32/10/68/402321068.db2.gz ZTLRGBWOMDXHHP-KRWDZBQOSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCCN2)c1 ZINC000236663950 402372126 /nfs/dbraw/zinc/37/21/26/402372126.db2.gz RPNGMLIKYKCBRN-KRWDZBQOSA-N 1 3 303.450 2.285 20 0 DEADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCCN2)c1 ZINC000236663950 402372129 /nfs/dbraw/zinc/37/21/29/402372129.db2.gz RPNGMLIKYKCBRN-KRWDZBQOSA-N 1 3 303.450 2.285 20 0 DEADHO C[NH+](C)CCC1CCN(Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000177201625 402380824 /nfs/dbraw/zinc/38/08/24/402380824.db2.gz AOQKMDPLHWNDDK-UHFFFAOYSA-N 1 3 313.449 2.431 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@H](C[NH3+])C(C)C)c1ccccc1 ZINC000236832858 402384584 /nfs/dbraw/zinc/38/45/84/402384584.db2.gz XIFZSXKDPKTXIG-SJORKVTESA-N 1 3 305.466 2.417 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)C1 ZINC000176660059 402326805 /nfs/dbraw/zinc/32/68/05/402326805.db2.gz PPEGXEXWUXMXMJ-GVDBMIGSSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](CNC(=O)NCCN1CCC(C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000226570007 402328893 /nfs/dbraw/zinc/32/88/93/402328893.db2.gz VIHGYOBHGPIAPL-SJORKVTESA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H](CNC(=O)NCCN1CCC(C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000226570007 402328898 /nfs/dbraw/zinc/32/88/98/402328898.db2.gz VIHGYOBHGPIAPL-SJORKVTESA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N(C)CCN(C)C1CC1 ZINC000185229147 402336776 /nfs/dbraw/zinc/33/67/76/402336776.db2.gz VVSXHGCXBWWWKL-BZUAXINKSA-N 1 3 324.513 2.088 20 0 DEADHO CN(CCCOc1ccccc1)CC[N@H+](C)C1CCN(C)CC1 ZINC000177373194 402395530 /nfs/dbraw/zinc/39/55/30/402395530.db2.gz KOKDMAOPJQWCPA-UHFFFAOYSA-N 1 3 319.493 2.413 20 0 DEADHO CN(CCCOc1ccccc1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000177373194 402395532 /nfs/dbraw/zinc/39/55/32/402395532.db2.gz KOKDMAOPJQWCPA-UHFFFAOYSA-N 1 3 319.493 2.413 20 0 DEADHO C[NH2+]C[C@@H](C)C(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1 ZINC000237201541 402399541 /nfs/dbraw/zinc/39/95/41/402399541.db2.gz PBXVKYUBIHEDSO-QAPCUYQASA-N 1 3 317.477 2.041 20 0 DEADHO C[NH2+]C[C@H](C)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000237309729 402403761 /nfs/dbraw/zinc/40/37/61/402403761.db2.gz UGEFUKCWPFLNTR-GJZGRUSLSA-N 1 3 303.450 2.184 20 0 DEADHO C[NH2+]C[C@H](C)C(=O)NC[C@H](C(C)C)N1CCc2ccccc2C1 ZINC000237325887 402404807 /nfs/dbraw/zinc/40/48/07/402404807.db2.gz PBXVKYUBIHEDSO-MAUKXSAKSA-N 1 3 317.477 2.041 20 0 DEADHO Cc1ccccc1[C@H](C)[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000177951920 402446838 /nfs/dbraw/zinc/44/68/38/402446838.db2.gz CODGXZDVKSTVHL-INIZCTEOSA-N 1 3 317.477 2.446 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)C1 ZINC000245201975 402452092 /nfs/dbraw/zinc/45/20/92/402452092.db2.gz NWWXTFLARRRTGZ-VVLHAWIVSA-N 1 3 309.498 2.484 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)C1 ZINC000245201975 402452095 /nfs/dbraw/zinc/45/20/95/402452095.db2.gz NWWXTFLARRRTGZ-VVLHAWIVSA-N 1 3 309.498 2.484 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)CC1CC1 ZINC000246126117 402511909 /nfs/dbraw/zinc/51/19/09/402511909.db2.gz ISGGNDOAKAFUFZ-NVXWUHKLSA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)CC1CC1 ZINC000246126117 402511911 /nfs/dbraw/zinc/51/19/11/402511911.db2.gz ISGGNDOAKAFUFZ-NVXWUHKLSA-N 1 3 324.513 2.233 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000245431701 402460376 /nfs/dbraw/zinc/46/03/76/402460376.db2.gz AWSNWLZKLLBQNB-SJORKVTESA-N 1 3 316.449 2.449 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000245431701 402460378 /nfs/dbraw/zinc/46/03/78/402460378.db2.gz AWSNWLZKLLBQNB-SJORKVTESA-N 1 3 316.449 2.449 20 0 DEADHO C[C@H](N)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000164840940 402469486 /nfs/dbraw/zinc/46/94/86/402469486.db2.gz XDBHAWFEUCLSQI-KKUMJFAQSA-N 1 3 303.450 2.128 20 0 DEADHO CSCC[C@@H](N)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000165925832 402480037 /nfs/dbraw/zinc/48/00/37/402480037.db2.gz KBCBTXWTZYVMTB-MRXNPFEDSA-N 1 3 321.490 2.344 20 0 DEADHO Cc1ccc([C@H](C)[NH2+]CCCCN2CCN(CCO)CC2)cc1 ZINC000168957255 402499646 /nfs/dbraw/zinc/49/96/46/402499646.db2.gz VERZAGVCPZFXGZ-SFHVURJKSA-N 1 3 319.493 2.036 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C[C@H](C)O1 ZINC000245950652 402500413 /nfs/dbraw/zinc/50/04/13/402500413.db2.gz WJNAAGUFLFJPPL-IGKNDFSCSA-N 1 3 322.493 2.423 20 0 DEADHO CCOC(=O)N[C@H](CN[C@@H]1CC[N@H+](CC)C[C@@H]1C)CC(C)C ZINC000247193462 402559536 /nfs/dbraw/zinc/55/95/36/402559536.db2.gz VXTJSEWDHUZGJD-HRCADAONSA-N 1 3 313.486 2.467 20 0 DEADHO CCOC(=O)N[C@H](CN[C@@H]1CC[N@@H+](CC)C[C@@H]1C)CC(C)C ZINC000247193462 402559538 /nfs/dbraw/zinc/55/95/38/402559538.db2.gz VXTJSEWDHUZGJD-HRCADAONSA-N 1 3 313.486 2.467 20 0 DEADHO C[C@H](C(=O)NC1CC[NH+](CC2CC2)CC1)[C@@H](N)c1ccccc1 ZINC000178707643 402528810 /nfs/dbraw/zinc/52/88/10/402528810.db2.gz NSSULHKNKXVNDR-KBXCAEBGSA-N 1 3 315.461 2.313 20 0 DEADHO C[C@@H]1C[C@@H](NC[C@H]2CCCN2C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000248146101 402583384 /nfs/dbraw/zinc/58/33/84/402583384.db2.gz QEXRXLWFFXWLFC-QLFBSQMISA-N 1 3 311.470 2.458 20 0 DEADHO C[C@@H]1C[C@@H](NC[C@H]2CCCN2C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000248146101 402583386 /nfs/dbraw/zinc/58/33/86/402583386.db2.gz QEXRXLWFFXWLFC-QLFBSQMISA-N 1 3 311.470 2.458 20 0 DEADHO C[C@@H]1C[C@H](NC[C@H]2CCCN2C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000248146102 402583743 /nfs/dbraw/zinc/58/37/43/402583743.db2.gz QEXRXLWFFXWLFC-RBSFLKMASA-N 1 3 311.470 2.458 20 0 DEADHO C[C@@H]1C[C@H](NC[C@H]2CCCN2C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000248146102 402583746 /nfs/dbraw/zinc/58/37/46/402583746.db2.gz QEXRXLWFFXWLFC-RBSFLKMASA-N 1 3 311.470 2.458 20 0 DEADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000190207437 402584724 /nfs/dbraw/zinc/58/47/24/402584724.db2.gz XHHOIIVXTUPGGQ-HZPDHXFCSA-N 1 3 322.497 2.129 20 0 DEADHO CCN(CCC[NH+](C)C)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000248684684 402603235 /nfs/dbraw/zinc/60/32/35/402603235.db2.gz FYNPSVKBCABGJN-HZPDHXFCSA-N 1 3 312.502 2.090 20 0 DEADHO O=C(C[C@H]1CC[NH2+]C1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000249559392 402634890 /nfs/dbraw/zinc/63/48/90/402634890.db2.gz LCLOPYJWDDYHHL-CABCVRRESA-N 1 3 321.490 2.076 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cnn(C(C)C)c2C)CC1 ZINC000191174464 402648144 /nfs/dbraw/zinc/64/81/44/402648144.db2.gz ZWJZSXMMJHPDSD-HZPDHXFCSA-N 1 3 321.513 2.449 20 0 DEADHO CN(CCC[NH+]1CCN(C)CC1)Cc1nc2ccccc2s1 ZINC000172383568 402653255 /nfs/dbraw/zinc/65/32/55/402653255.db2.gz JBHRZAMIYDLUAS-UHFFFAOYSA-N 1 3 318.490 2.366 20 0 DEADHO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000192101391 402711035 /nfs/dbraw/zinc/71/10/35/402711035.db2.gz QEEHHNOHZMKQNO-WDEREUQCSA-N 1 3 313.829 2.202 20 0 DEADHO C[C@@H](C(=O)NC[C@@H]1CCCCN1Cc1ccccc1)[C@H](C)[NH3+] ZINC000192101295 402711330 /nfs/dbraw/zinc/71/13/30/402711330.db2.gz MAJCKSNTZJCXGD-VYDXJSESSA-N 1 3 303.450 2.141 20 0 DEADHO CC(C)[NH+](CCNC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21)C(C)C ZINC000182190283 402670958 /nfs/dbraw/zinc/67/09/58/402670958.db2.gz RIKRSORHOCVFQF-SJORKVTESA-N 1 3 324.513 2.231 20 0 DEADHO C[C@@]1(C[NH3+])CCN(CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000261905758 402719568 /nfs/dbraw/zinc/71/95/68/402719568.db2.gz XAGGYSUYZNGSIT-MJGOQNOKSA-N 1 3 315.461 2.241 20 0 DEADHO C[C@@]1(CN)CC[N@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000261905758 402719570 /nfs/dbraw/zinc/71/95/70/402719570.db2.gz XAGGYSUYZNGSIT-MJGOQNOKSA-N 1 3 315.461 2.241 20 0 DEADHO C[C@@]1(CN)CC[N@@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000261905758 402719572 /nfs/dbraw/zinc/71/95/72/402719572.db2.gz XAGGYSUYZNGSIT-MJGOQNOKSA-N 1 3 315.461 2.241 20 0 DEADHO C[C@@H]1CN(CCN2CCC(CCC[NH+]3CCCC3)CC2)CCO1 ZINC000192776756 402749378 /nfs/dbraw/zinc/74/93/78/402749378.db2.gz HBWMVHNPGJQCDS-GOSISDBHSA-N 1 3 323.525 2.295 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2ccnn2C)[C@H](C)C1 ZINC000192869171 402754609 /nfs/dbraw/zinc/75/46/09/402754609.db2.gz ARXKTTNJPRMFDG-PMPSAXMXSA-N 1 3 308.470 2.208 20 0 DEADHO C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](N)c1ccccc1 ZINC000262109098 402722397 /nfs/dbraw/zinc/72/23/97/402722397.db2.gz JRDMUJOCKTVYLO-SIXLDLHFSA-N 1 3 301.434 2.018 20 0 DEADHO C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H](N)c1ccccc1 ZINC000262109098 402722399 /nfs/dbraw/zinc/72/23/99/402722399.db2.gz JRDMUJOCKTVYLO-SIXLDLHFSA-N 1 3 301.434 2.018 20 0 DEADHO COc1cc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)ccc1C ZINC000278882586 402881736 /nfs/dbraw/zinc/88/17/36/402881736.db2.gz OJMQNHQAMAGJQC-ZWKOTPCHSA-N 1 3 318.461 2.471 20 0 DEADHO CCC[C@@H](N)C(=O)NCc1ccc(OCC[NH+](CC)CC)cc1 ZINC000272467134 402940842 /nfs/dbraw/zinc/94/08/42/402940842.db2.gz PNHCHWXFJYHLAV-QGZVFWFLSA-N 1 3 321.465 2.151 20 0 DEADHO Cn1cc(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)cn1 ZINC000272598306 402957952 /nfs/dbraw/zinc/95/79/52/402957952.db2.gz TUINFQSGSNQYHW-HSALFYBXSA-N 1 3 324.472 2.463 20 0 DEADHO c1ccc(C[N@@H+]2C[C@H]3CN(CCC4OCCCO4)C[C@H]3C2)cc1 ZINC000280348928 402990794 /nfs/dbraw/zinc/99/07/94/402990794.db2.gz IFBASHDHOHVLIL-HDICACEKSA-N 1 3 316.445 2.203 20 0 DEADHO c1ccc(C[N@H+]2C[C@H]3CN(CCC4OCCCO4)C[C@H]3C2)cc1 ZINC000280348928 402990796 /nfs/dbraw/zinc/99/07/96/402990796.db2.gz IFBASHDHOHVLIL-HDICACEKSA-N 1 3 316.445 2.203 20 0 DEADHO CN(C)CCN(C)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000267118387 403017046 /nfs/dbraw/zinc/01/70/46/403017046.db2.gz PAKKHCYVIJCQQD-UHFFFAOYSA-N 1 3 303.450 2.306 20 0 DEADHO COc1ccc(C[C@@H](C)C[NH2+]CC2(O)CCN(C)CC2)cc1F ZINC000274478990 403059520 /nfs/dbraw/zinc/05/95/20/403059520.db2.gz ZJEBLRRLFNOUEK-CQSZACIVSA-N 1 3 324.440 2.059 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C2CCN(C)CC2)C1 ZINC000345003334 404494044 /nfs/dbraw/zinc/49/40/44/404494044.db2.gz OOKAIMIHEOVCAF-HLLBOEOZSA-N 1 3 307.482 2.192 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C2CCN(C)CC2)C1 ZINC000345003334 404494047 /nfs/dbraw/zinc/49/40/47/404494047.db2.gz OOKAIMIHEOVCAF-HLLBOEOZSA-N 1 3 307.482 2.192 20 0 DEADHO COCCC[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(F)cc1 ZINC000282013685 403113452 /nfs/dbraw/zinc/11/34/52/403113452.db2.gz RNHSKYGCUYYQJM-ZWKOTPCHSA-N 1 3 324.440 2.340 20 0 DEADHO CC[N@@H+]1CC[C@H](NCCNC(=O)c2cccc(C)c2)[C@@H](C)C1 ZINC000268827384 403118752 /nfs/dbraw/zinc/11/87/52/403118752.db2.gz ZNDNWKCFXRJGMZ-RDJZCZTQSA-N 1 3 303.450 2.045 20 0 DEADHO CC[N@H+]1CC[C@H](NCCNC(=O)c2cccc(C)c2)[C@@H](C)C1 ZINC000268827384 403118755 /nfs/dbraw/zinc/11/87/55/403118755.db2.gz ZNDNWKCFXRJGMZ-RDJZCZTQSA-N 1 3 303.450 2.045 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000268835740 403119813 /nfs/dbraw/zinc/11/98/13/403119813.db2.gz SGVKHJVYNTZHDO-SFHVURJKSA-N 1 3 305.441 2.430 20 0 DEADHO COc1cccc(C[C@@H]([NH2+]CC2(O)CCN(C)CC2)C2CC2)c1 ZINC000269901078 403174357 /nfs/dbraw/zinc/17/43/57/403174357.db2.gz GQDYWUFMCSGCFI-GOSISDBHSA-N 1 3 318.461 2.063 20 0 DEADHO c1cn(CC[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cn1 ZINC000285421954 403292698 /nfs/dbraw/zinc/29/26/98/403292698.db2.gz DSAGIALBPBQWDX-IBGZPJMESA-N 1 3 310.445 2.481 20 0 DEADHO c1cn(CC[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cn1 ZINC000285421954 403292701 /nfs/dbraw/zinc/29/27/01/403292701.db2.gz DSAGIALBPBQWDX-IBGZPJMESA-N 1 3 310.445 2.481 20 0 DEADHO O=C(NCc1ccccc1CN1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000342701385 403313986 /nfs/dbraw/zinc/31/39/86/403313986.db2.gz YIQSPOVLOLVHAZ-KRWDZBQOSA-N 1 3 315.461 2.288 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)[C@H]2CCC[NH2+][C@H]2C)CN1Cc1ccccc1 ZINC000342715006 403318687 /nfs/dbraw/zinc/31/86/87/403318687.db2.gz ULWRHBFGVSONDE-ONIAQPFYSA-N 1 3 315.461 2.154 20 0 DEADHO CN(C)CCNC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCC1(C)C ZINC000342720507 403321064 /nfs/dbraw/zinc/32/10/64/403321064.db2.gz CCIGGEPLSHVWND-SJORKVTESA-N 1 3 317.477 2.054 20 0 DEADHO CN(C)CCNC(=O)C1CC[NH+]([C@@H]2C=CCCCCC2)CC1 ZINC000339033921 403329736 /nfs/dbraw/zinc/32/97/36/403329736.db2.gz PCDKPOGHRHEJKX-QGZVFWFLSA-N 1 3 307.482 2.265 20 0 DEADHO C[C@@H]1CC[C@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000345604746 403400570 /nfs/dbraw/zinc/40/05/70/403400570.db2.gz RUBPGNRPANNYRZ-CABCVRRESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2CC(C)(C)[C@@H]3CCC[C@H]32)CC1 ZINC000339715253 403427195 /nfs/dbraw/zinc/42/71/95/403427195.db2.gz CGPYQRQEZJHRQK-IAGOWNOFSA-N 1 3 321.509 2.486 20 0 DEADHO CN(C)C[C@H](NC(=O)CC[NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000566866276 292273795 /nfs/dbraw/zinc/27/37/95/292273795.db2.gz JBWMLLSWSFKION-HNNXBMFYSA-N 1 3 309.841 2.201 20 0 DEADHO C[C@@H](CCNC(=O)N[C@H]1CCCN(C)[C@@H]1C)[NH+]1CCCCC1 ZINC000345744506 403466303 /nfs/dbraw/zinc/46/63/03/403466303.db2.gz KNZMAVQWJSRPTE-XHSDSOJGSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CCCN1C ZINC000345777993 403481138 /nfs/dbraw/zinc/48/11/38/403481138.db2.gz KSXNCKNETLEGPT-BRWVUGGUSA-N 1 3 322.497 2.129 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCCN1C ZINC000343160322 403482082 /nfs/dbraw/zinc/48/20/82/403482082.db2.gz WCJTYGKEMTWMSL-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCCN1C ZINC000343160322 403482087 /nfs/dbraw/zinc/48/20/87/403482087.db2.gz WCJTYGKEMTWMSL-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000332568200 403591610 /nfs/dbraw/zinc/59/16/10/403591610.db2.gz XZNCLRHNNSDHOY-RDJZCZTQSA-N 1 3 322.497 2.164 20 0 DEADHO COCCN(C)CCC[NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000340175283 403571413 /nfs/dbraw/zinc/57/14/13/403571413.db2.gz DKYFQQFGECHYPT-RTBURBONSA-N 1 3 319.493 2.380 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000346280940 403582516 /nfs/dbraw/zinc/58/25/16/403582516.db2.gz KKNOROVJYSLVCM-BBWFWOEESA-N 1 3 307.482 2.194 20 0 DEADHO COc1ccc([C@@H](C[NH3+])CN2CCNCc3ccccc32)cc1 ZINC000420301414 286357104 /nfs/dbraw/zinc/35/71/04/286357104.db2.gz VWSUIRYTBPGPJW-KRWDZBQOSA-N 1 3 311.429 2.347 20 0 DEADHO CC[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)NCCN(C)C)C1CC1 ZINC000347271364 403644506 /nfs/dbraw/zinc/64/45/06/403644506.db2.gz MQXQRIMZBITNEV-ZWKOTPCHSA-N 1 3 317.477 2.054 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000343614360 403663785 /nfs/dbraw/zinc/66/37/85/403663785.db2.gz PPHJPWJUCMZTNH-IRXDYDNUSA-N 1 3 301.434 2.105 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000343614360 403663789 /nfs/dbraw/zinc/66/37/89/403663789.db2.gz PPHJPWJUCMZTNH-IRXDYDNUSA-N 1 3 301.434 2.105 20 0 DEADHO Cc1nn(C(C)C)cc1CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000333164863 403683350 /nfs/dbraw/zinc/68/33/50/403683350.db2.gz OQSLHPKUJIMGDY-MSOLQXFVSA-N 1 3 320.481 2.491 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000347392184 403691687 /nfs/dbraw/zinc/69/16/87/403691687.db2.gz QVZUUIRRXFGXTE-IRXDYDNUSA-N 1 3 307.482 2.051 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000347392184 403691691 /nfs/dbraw/zinc/69/16/91/403691691.db2.gz QVZUUIRRXFGXTE-IRXDYDNUSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H](C[NH+](C)C)NC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000287999557 403706418 /nfs/dbraw/zinc/70/64/18/403706418.db2.gz LDEBJUSODLTEPX-HNNXBMFYSA-N 1 3 320.481 2.146 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000333252676 403707108 /nfs/dbraw/zinc/70/71/08/403707108.db2.gz HCFQGQPLSFTBKT-PVAVHDDUSA-N 1 3 316.449 2.271 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000343860569 403764324 /nfs/dbraw/zinc/76/43/24/403764324.db2.gz FXTGQYNPKKAZNB-ZACQAIPSSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000343860569 403764330 /nfs/dbraw/zinc/76/43/30/403764330.db2.gz FXTGQYNPKKAZNB-ZACQAIPSSA-N 1 3 324.513 2.423 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)CNC3)C[C@H]1C ZINC000347608581 403771908 /nfs/dbraw/zinc/77/19/08/403771908.db2.gz CPDCGGOTCGTPCX-DYVFJYSZSA-N 1 3 301.434 2.235 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)CNC3)C[C@H]1C ZINC000347608581 403771914 /nfs/dbraw/zinc/77/19/14/403771914.db2.gz CPDCGGOTCGTPCX-DYVFJYSZSA-N 1 3 301.434 2.235 20 0 DEADHO C[C@@H](CNC(=O)c1ccc2c(c1)CNC2)[N@@H+]1CCC[C@H](C)C1 ZINC000347521814 403740087 /nfs/dbraw/zinc/74/00/87/403740087.db2.gz KEDYHTDZECZOGK-KBPBESRZSA-N 1 3 301.434 2.140 20 0 DEADHO C[C@@H](CNC(=O)c1ccc2c(c1)CNC2)[N@H+]1CCC[C@H](C)C1 ZINC000347521814 403740092 /nfs/dbraw/zinc/74/00/92/403740092.db2.gz KEDYHTDZECZOGK-KBPBESRZSA-N 1 3 301.434 2.140 20 0 DEADHO C[C@H](CNC(=O)c1ccc2c(c1)CNC2)[N@@H+]1CCC[C@H](C)C1 ZINC000347521817 403740543 /nfs/dbraw/zinc/74/05/43/403740543.db2.gz KEDYHTDZECZOGK-UONOGXRCSA-N 1 3 301.434 2.140 20 0 DEADHO C[C@H](CNC(=O)c1ccc2c(c1)CNC2)[N@H+]1CCC[C@H](C)C1 ZINC000347521817 403740545 /nfs/dbraw/zinc/74/05/45/403740545.db2.gz KEDYHTDZECZOGK-UONOGXRCSA-N 1 3 301.434 2.140 20 0 DEADHO C[C@@H]1CCC[C@](CNC(=O)N[C@H]2CCCN(C)[C@H]2C)([NH+](C)C)C1 ZINC000343850091 403758643 /nfs/dbraw/zinc/75/86/43/403758643.db2.gz KEYDNRBVEKBPPH-CVYDXHPNSA-N 1 3 324.513 2.279 20 0 DEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCN2CCC(C)CC2)C[C@H]1C ZINC000361733807 403830236 /nfs/dbraw/zinc/83/02/36/403830236.db2.gz CYUZVVJZIYGHRY-IAGOWNOFSA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCCN2CCC(C)CC2)C[C@H]1C ZINC000361733807 403830245 /nfs/dbraw/zinc/83/02/45/403830245.db2.gz CYUZVVJZIYGHRY-IAGOWNOFSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CCc2ccc(OCCN(C)C)cc2)[C@@H](C)O1 ZINC000295169951 403782365 /nfs/dbraw/zinc/78/23/65/403782365.db2.gz LGTONZCIHBMSEH-RKVPGOIHSA-N 1 3 306.450 2.325 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CC1(C)C ZINC000341135975 403790476 /nfs/dbraw/zinc/79/04/76/403790476.db2.gz WHAJRSYLTQXOIP-JKSUJKDBSA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CC1(C)C ZINC000341135975 403790480 /nfs/dbraw/zinc/79/04/80/403790480.db2.gz WHAJRSYLTQXOIP-JKSUJKDBSA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN2CCCCC2)C[C@H]1C ZINC000361756416 403847161 /nfs/dbraw/zinc/84/71/61/403847161.db2.gz USHPMZGADRNCQP-ZACQAIPSSA-N 1 3 324.513 2.375 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN2CCCCC2)C[C@H]1C ZINC000361756416 403847172 /nfs/dbraw/zinc/84/71/72/403847172.db2.gz USHPMZGADRNCQP-ZACQAIPSSA-N 1 3 324.513 2.375 20 0 DEADHO Cc1ccncc1CCC[NH+]1CCC(OCCN(C)C)CC1 ZINC000347767918 403856327 /nfs/dbraw/zinc/85/63/27/403856327.db2.gz GEPJWFJNNAVZAD-UHFFFAOYSA-N 1 3 305.466 2.365 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000344042670 403869450 /nfs/dbraw/zinc/86/94/50/403869450.db2.gz BMFHNTZGIYNOCB-CBZIJGRNSA-N 1 3 309.498 2.486 20 0 DEADHO CC1CC[NH+](CC(=O)N(C)CCCN(C)Cc2ccco2)CC1 ZINC000344060689 403881940 /nfs/dbraw/zinc/88/19/40/403881940.db2.gz MSVTXZIZBGKJNS-UHFFFAOYSA-N 1 3 321.465 2.292 20 0 DEADHO CCC1(CC)[C@H](NC[C@H](O)C[NH+]2CCC(C)CC2)C[C@H]1OC ZINC000344107072 403914486 /nfs/dbraw/zinc/91/44/86/403914486.db2.gz RCTTUBUOYUZKSS-GVDBMIGSSA-N 1 3 312.498 2.263 20 0 DEADHO CCO[C@@H]1C[C@H](NC[C@@H](O)C[NH+]2CCC(C)CC2)C12CCCC2 ZINC000344112563 403917242 /nfs/dbraw/zinc/91/72/42/403917242.db2.gz UUUKSMPIIXPQCC-FGTMMUONSA-N 1 3 324.509 2.407 20 0 DEADHO C[C@H](NCc1ccncc1OCCC[NH+](C)C)[C@@H]1CCCO1 ZINC000344129207 403929018 /nfs/dbraw/zinc/92/90/18/403929018.db2.gz XGVOQHQYPDSOHI-HOCLYGCPSA-N 1 3 307.438 2.069 20 0 DEADHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)C(=O)N1CCCCC1 ZINC000336863294 403936531 /nfs/dbraw/zinc/93/65/31/403936531.db2.gz FXPGWJLQQZDZOD-HNNXBMFYSA-N 1 3 316.449 2.041 20 0 DEADHO CCC[N@H+](CCN1CCN(CC)CC1)C[C@H]1CCO[C@H](C)C1 ZINC000344174682 403957755 /nfs/dbraw/zinc/95/77/55/403957755.db2.gz WSOZBANOISLFFT-MSOLQXFVSA-N 1 3 311.514 2.151 20 0 DEADHO CCC[N@@H+](CCN1CCN(CC)CC1)C[C@H]1CCO[C@H](C)C1 ZINC000344174682 403957764 /nfs/dbraw/zinc/95/77/64/403957764.db2.gz WSOZBANOISLFFT-MSOLQXFVSA-N 1 3 311.514 2.151 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCC[C@@H](C)C1 ZINC000337389730 403992724 /nfs/dbraw/zinc/99/27/24/403992724.db2.gz YZCXQVONTUATIG-VQHPVUNQSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CCC[C@@H](C)C1 ZINC000337389730 403992730 /nfs/dbraw/zinc/99/27/30/403992730.db2.gz YZCXQVONTUATIG-VQHPVUNQSA-N 1 3 322.497 2.033 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCCN(C)[C@H]2C)C1 ZINC000344290345 404034363 /nfs/dbraw/zinc/03/43/63/404034363.db2.gz NARYXOKSTIKHCP-BBWFWOEESA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCCN(C)[C@H]2C)C1 ZINC000344290345 404034369 /nfs/dbraw/zinc/03/43/69/404034369.db2.gz NARYXOKSTIKHCP-BBWFWOEESA-N 1 3 324.513 2.136 20 0 DEADHO CN1CCC(N2CC[C@H]([NH2+]Cc3cccc4[nH]ccc43)C2)CC1 ZINC000369274520 404030579 /nfs/dbraw/zinc/03/05/79/404030579.db2.gz PVUCCTVPQAWWQZ-INIZCTEOSA-N 1 3 312.461 2.426 20 0 DEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000311168986 403970262 /nfs/dbraw/zinc/97/02/62/403970262.db2.gz RROPXPYMVIDXKX-AAEUAGOBSA-N 1 3 315.259 2.143 20 0 DEADHO C[NH+](C)C1(CNC(=O)N2CC[C@@H](N3CCCCC3)C2)CCCC1 ZINC000341459185 403977772 /nfs/dbraw/zinc/97/77/72/403977772.db2.gz RUGQVAKGHCTJJS-MRXNPFEDSA-N 1 3 322.497 2.131 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CNCc2ccccc21)C[NH+]1CCCCC1 ZINC000321320178 404075018 /nfs/dbraw/zinc/07/50/18/404075018.db2.gz OGNWMMQQIAVYLT-QAPCUYQASA-N 1 3 315.461 2.112 20 0 DEADHO C[C@H]1C[C@H](NC(=O)C2(N)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000296074389 404081203 /nfs/dbraw/zinc/08/12/03/404081203.db2.gz QAQHFFGEGICYFU-GOEBONIOSA-N 1 3 301.434 2.037 20 0 DEADHO C[C@H]1C[C@H](NC(=O)C2(N)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000296074389 404081207 /nfs/dbraw/zinc/08/12/07/404081207.db2.gz QAQHFFGEGICYFU-GOEBONIOSA-N 1 3 301.434 2.037 20 0 DEADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000290232003 404092504 /nfs/dbraw/zinc/09/25/04/404092504.db2.gz URQXMGYAPYTLQO-HUUCEWRRSA-N 1 3 319.449 2.262 20 0 DEADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000290097087 404038810 /nfs/dbraw/zinc/03/88/10/404038810.db2.gz XJUOWYLJUOTQJA-KBAYOESNSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000348168737 404047457 /nfs/dbraw/zinc/04/74/57/404047457.db2.gz MWMYRCLAMOZRHT-DFGXFYAUSA-N 1 3 321.509 2.438 20 0 DEADHO C[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000348168737 404047464 /nfs/dbraw/zinc/04/74/64/404047464.db2.gz MWMYRCLAMOZRHT-DFGXFYAUSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)CC1CC[NH+](C)CC1)N1CCCCC1 ZINC000354874920 404072226 /nfs/dbraw/zinc/07/22/26/404072226.db2.gz AARMVEDGPSCBBN-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000337640889 404152951 /nfs/dbraw/zinc/15/29/51/404152951.db2.gz UKUJUPIAGFAIJP-QAPCUYQASA-N 1 3 305.466 2.444 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)NC1CC1)Cc1ccccc1 ZINC000296374228 404219705 /nfs/dbraw/zinc/21/97/05/404219705.db2.gz KBNVMSATEWNVTO-CRAIPNDOSA-N 1 3 317.477 2.196 20 0 DEADHO C[C@H](CN(C)C)NC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000349592622 404170974 /nfs/dbraw/zinc/17/09/74/404170974.db2.gz XRZHHFBHYQSETO-MRXNPFEDSA-N 1 3 324.513 2.425 20 0 DEADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000349663920 404172066 /nfs/dbraw/zinc/17/20/66/404172066.db2.gz FNVADXKNKTYWMA-RDJZCZTQSA-N 1 3 324.513 2.233 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000412178622 404173294 /nfs/dbraw/zinc/17/32/94/404173294.db2.gz NEGPLYNVMIUDCT-UUAJXVIYSA-N 1 3 307.482 2.333 20 0 DEADHO CCOC(=O)c1coc(CNCC2CC[NH+](C3CC3)CC2)c1 ZINC000355134523 404238854 /nfs/dbraw/zinc/23/88/54/404238854.db2.gz PFLQYBZDSCLTGV-UHFFFAOYSA-N 1 3 306.406 2.420 20 0 DEADHO CCCn1nc(C)c(CNCC2(O)CC[NH+](C(C)C)CC2)c1C ZINC000344626934 404271686 /nfs/dbraw/zinc/27/16/86/404271686.db2.gz DMYDOEMFOGRYEY-UHFFFAOYSA-N 1 3 322.497 2.235 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1CCCC1 ZINC000337962217 404334231 /nfs/dbraw/zinc/33/42/31/404334231.db2.gz KPFXDRAOFUZTAA-KRWDZBQOSA-N 1 3 324.513 2.234 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1CCCC1 ZINC000337962217 404334239 /nfs/dbraw/zinc/33/42/39/404334239.db2.gz KPFXDRAOFUZTAA-KRWDZBQOSA-N 1 3 324.513 2.234 20 0 DEADHO CC[NH+](CC)CCOCCNCc1cnc2ccc(Cl)cn12 ZINC000350265961 404356787 /nfs/dbraw/zinc/35/67/87/404356787.db2.gz LUKIQFOTOXFWSL-UHFFFAOYSA-N 1 3 324.856 2.436 20 0 DEADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000344778336 404362427 /nfs/dbraw/zinc/36/24/27/404362427.db2.gz RJDKUALAPHRCLL-LSDHHAIUSA-N 1 3 309.498 2.486 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)CN1CCCCC1 ZINC000350475823 404397548 /nfs/dbraw/zinc/39/75/48/404397548.db2.gz DDBJXZQUPJELJZ-CVEARBPZSA-N 1 3 310.486 2.034 20 0 DEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](C)CN1CCCCC1 ZINC000350475823 404397555 /nfs/dbraw/zinc/39/75/55/404397555.db2.gz DDBJXZQUPJELJZ-CVEARBPZSA-N 1 3 310.486 2.034 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)CN1CCCCC1 ZINC000350475825 404397707 /nfs/dbraw/zinc/39/77/07/404397707.db2.gz DDBJXZQUPJELJZ-HOTGVXAUSA-N 1 3 310.486 2.034 20 0 DEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)CN1CCCCC1 ZINC000350475825 404397710 /nfs/dbraw/zinc/39/77/10/404397710.db2.gz DDBJXZQUPJELJZ-HOTGVXAUSA-N 1 3 310.486 2.034 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352653380 404518027 /nfs/dbraw/zinc/51/80/27/404518027.db2.gz UENJINMIXLSDNX-AEFFLSMTSA-N 1 3 317.477 2.355 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352653380 404518032 /nfs/dbraw/zinc/51/80/32/404518032.db2.gz UENJINMIXLSDNX-AEFFLSMTSA-N 1 3 317.477 2.355 20 0 DEADHO [NH3+][C@@H]1CC[C@@H]2CN(CCCc3nc(-c4ccccc4)no3)C[C@H]12 ZINC000351500795 404612306 /nfs/dbraw/zinc/61/23/06/404612306.db2.gz XLWJFSMTJYVMHY-OWCLPIDISA-N 1 3 312.417 2.338 20 0 DEADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H](CO)[C@@H]3CCCOC3)CC2)C1 ZINC000414555756 404677588 /nfs/dbraw/zinc/67/75/88/404677588.db2.gz MKAUJIJRWQCZEU-FPAYPSAMSA-N 1 3 324.509 2.407 20 0 DEADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H](CO)[C@@H]3CCCOC3)CC2)C1 ZINC000414555756 404677592 /nfs/dbraw/zinc/67/75/92/404677592.db2.gz MKAUJIJRWQCZEU-FPAYPSAMSA-N 1 3 324.509 2.407 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC000414673805 404704719 /nfs/dbraw/zinc/70/47/19/404704719.db2.gz CWJCHHNXSPKWRI-PBHICJAKSA-N 1 3 319.424 2.160 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC000414673805 404704722 /nfs/dbraw/zinc/70/47/22/404704722.db2.gz CWJCHHNXSPKWRI-PBHICJAKSA-N 1 3 319.424 2.160 20 0 DEADHO Cc1ccc([C@H](C)[N@H+](C)C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414673193 404705286 /nfs/dbraw/zinc/70/52/86/404705286.db2.gz IRQGVPQSGMJGMO-JKSUJKDBSA-N 1 3 303.450 2.185 20 0 DEADHO Cc1ccc([C@H](C)[N@@H+](C)C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414673193 404705287 /nfs/dbraw/zinc/70/52/87/404705287.db2.gz IRQGVPQSGMJGMO-JKSUJKDBSA-N 1 3 303.450 2.185 20 0 DEADHO C[N@@H+](Cc1ccc(Cl)s1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414678174 404705782 /nfs/dbraw/zinc/70/57/82/404705782.db2.gz JTPAJTGKFBTWMH-LLVKDONJSA-N 1 3 315.870 2.031 20 0 DEADHO C[N@H+](Cc1ccc(Cl)s1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414678174 404705786 /nfs/dbraw/zinc/70/57/86/404705786.db2.gz JTPAJTGKFBTWMH-LLVKDONJSA-N 1 3 315.870 2.031 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1NCCc2ccccc21)[NH+](CC)CC ZINC000357236427 404731332 /nfs/dbraw/zinc/73/13/32/404731332.db2.gz CZEDWCBTMUYJLK-DLBZAZTESA-N 1 3 303.450 2.110 20 0 DEADHO COCc1cccc(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414783274 404734186 /nfs/dbraw/zinc/73/41/86/404734186.db2.gz PSNJLEGNEBGGAH-QGZVFWFLSA-N 1 3 304.434 2.020 20 0 DEADHO C[C@H](CC(=O)NCCc1ccccc1)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414813881 404740692 /nfs/dbraw/zinc/74/06/92/404740692.db2.gz YUNQVBRXXZRXJW-KBAYOESNSA-N 1 3 317.477 2.231 20 0 DEADHO C[C@H](CC(=O)NCCc1ccccc1)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414813881 404740694 /nfs/dbraw/zinc/74/06/94/404740694.db2.gz YUNQVBRXXZRXJW-KBAYOESNSA-N 1 3 317.477 2.231 20 0 DEADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCC[C@H](C)[NH3+] ZINC000414817830 404741495 /nfs/dbraw/zinc/74/14/95/404741495.db2.gz BWMCOMWJGAJKMG-QWRGUYRKSA-N 1 3 313.829 2.393 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCCN1CC ZINC000353114829 404745908 /nfs/dbraw/zinc/74/59/08/404745908.db2.gz UASVOALMVMKIBM-JKSUJKDBSA-N 1 3 310.486 2.034 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCCN1CC ZINC000353114829 404745909 /nfs/dbraw/zinc/74/59/09/404745909.db2.gz UASVOALMVMKIBM-JKSUJKDBSA-N 1 3 310.486 2.034 20 0 DEADHO COc1cc(OC)c(CNCC[C@H]2CCC[NH2+]C2)c(OC)c1 ZINC000414852858 404748367 /nfs/dbraw/zinc/74/83/67/404748367.db2.gz QRNAWMQQJHEFNF-CYBMUJFWSA-N 1 3 308.422 2.192 20 0 DEADHO C[C@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)[C@H]1CCCNC1 ZINC000414858813 404749991 /nfs/dbraw/zinc/74/99/91/404749991.db2.gz SJFMQSQTTYOLOA-STQMWFEESA-N 1 3 307.404 2.381 20 0 DEADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC[C@@H](C)C[NH3+] ZINC000414871099 404753230 /nfs/dbraw/zinc/75/32/30/404753230.db2.gz CXDACZCQCHVFGC-QWRGUYRKSA-N 1 3 313.829 2.250 20 0 DEADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H](C)CN ZINC000414871099 404753236 /nfs/dbraw/zinc/75/32/36/404753236.db2.gz CXDACZCQCHVFGC-QWRGUYRKSA-N 1 3 313.829 2.250 20 0 DEADHO CN(c1ccccc1CNCC1([NH3+])CCC1)C1CCN(C)CC1 ZINC000414876588 404755538 /nfs/dbraw/zinc/75/55/38/404755538.db2.gz LSEKDPXLTNKMBS-UHFFFAOYSA-N 1 3 316.493 2.188 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)NCC[C@H]2CCC[NH2+]2)c1 ZINC000414909156 404763806 /nfs/dbraw/zinc/76/38/06/404763806.db2.gz STUYKPOPJZJOHV-UONOGXRCSA-N 1 3 305.422 2.144 20 0 DEADHO CCN1CCN(c2ccccc2CN[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000414933132 404769513 /nfs/dbraw/zinc/76/95/13/404769513.db2.gz ANGRVLJASZRKCE-FUHWJXTLSA-N 1 3 316.493 2.059 20 0 DEADHO CCC[N@H+](CC1CCCCC1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414688128 404708963 /nfs/dbraw/zinc/70/89/63/404708963.db2.gz IPUVMKSMJCMRLX-QGZVFWFLSA-N 1 3 309.498 2.476 20 0 DEADHO CCC[N@@H+](CC1CCCCC1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414688128 404708966 /nfs/dbraw/zinc/70/89/66/404708966.db2.gz IPUVMKSMJCMRLX-QGZVFWFLSA-N 1 3 309.498 2.476 20 0 DEADHO C[C@@H]1C[C@@H](CN2CCCN(C(=O)c3ccsc3)CC2)CC[NH2+]1 ZINC000414699511 404710962 /nfs/dbraw/zinc/71/09/62/404710962.db2.gz IMACPGRMYLRPGY-CABCVRRESA-N 1 3 321.490 2.284 20 0 DEADHO CC[C@@H]1Cc2ccccc2C[N@@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414733112 404718977 /nfs/dbraw/zinc/71/89/77/404718977.db2.gz CMZVCHPYFNTPMD-CRAIPNDOSA-N 1 3 315.461 2.021 20 0 DEADHO CC[C@@H]1Cc2ccccc2C[N@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414733112 404718982 /nfs/dbraw/zinc/71/89/82/404718982.db2.gz CMZVCHPYFNTPMD-CRAIPNDOSA-N 1 3 315.461 2.021 20 0 DEADHO C[C@@H]1CCC[C@@H](CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000357001716 404723678 /nfs/dbraw/zinc/72/36/78/404723678.db2.gz MSFNXKMFVOTAML-BRWVUGGUSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CCC[C@@H](CN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000357001716 404723680 /nfs/dbraw/zinc/72/36/80/404723680.db2.gz MSFNXKMFVOTAML-BRWVUGGUSA-N 1 3 307.482 2.051 20 0 DEADHO CCC1(CC)CCC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414760472 404726366 /nfs/dbraw/zinc/72/63/66/404726366.db2.gz QONIRSDCXRXQDH-INIZCTEOSA-N 1 3 309.498 2.476 20 0 DEADHO CCC1(CC)CCC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414760472 404726367 /nfs/dbraw/zinc/72/63/67/404726367.db2.gz QONIRSDCXRXQDH-INIZCTEOSA-N 1 3 309.498 2.476 20 0 DEADHO CCC[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000353033795 404727251 /nfs/dbraw/zinc/72/72/51/404727251.db2.gz KBNDJNBIMHKKMH-UHFFFAOYSA-N 1 3 317.477 2.357 20 0 DEADHO CN(CCN(C)C1CC1)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000353249315 404782020 /nfs/dbraw/zinc/78/20/20/404782020.db2.gz LTCVYKAEFGKGEI-UHFFFAOYSA-N 1 3 324.513 2.378 20 0 DEADHO O=C(NCCCCC[NH+]1CCCCC1)N[C@@H]1CCN(C2CC2)C1 ZINC000359233500 404787279 /nfs/dbraw/zinc/78/72/79/404787279.db2.gz XFWBSOMFRRKKAP-MRXNPFEDSA-N 1 3 322.497 2.179 20 0 DEADHO CC(C)N1CCc2nc(CN[C@H]3CC[C@@H](C[NH3+])C3)sc2C1 ZINC000415040739 404794200 /nfs/dbraw/zinc/79/42/00/404794200.db2.gz PHIIKHCYMMMBRD-OLZOCXBDSA-N 1 3 308.495 2.127 20 0 DEADHO c1sc(CCC[NH2+]C2CCNCC2)nc1-c1ccncc1 ZINC000415077029 404802270 /nfs/dbraw/zinc/80/22/70/404802270.db2.gz DPLXUFFJBLJLPC-UHFFFAOYSA-N 1 3 302.447 2.479 20 0 DEADHO c1sc(CCCNC2CC[NH2+]CC2)nc1-c1ccncc1 ZINC000415077029 404802274 /nfs/dbraw/zinc/80/22/74/404802274.db2.gz DPLXUFFJBLJLPC-UHFFFAOYSA-N 1 3 302.447 2.479 20 0 DEADHO CC(C)(N)C[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000415082943 404803921 /nfs/dbraw/zinc/80/39/21/404803921.db2.gz MSUUODZLPGVQNT-UHFFFAOYSA-N 1 3 311.735 2.460 20 0 DEADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2cccc3c2NCC3)CC1 ZINC000415106552 404809236 /nfs/dbraw/zinc/80/92/36/404809236.db2.gz JRHPDXZAXNTJQE-PKOBYXMFSA-N 1 3 315.461 2.373 20 0 DEADHO CN(C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000360025897 404812007 /nfs/dbraw/zinc/81/20/07/404812007.db2.gz VJSMOMXHTYLKPN-WBVHZDCISA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000360025897 404812010 /nfs/dbraw/zinc/81/20/10/404812010.db2.gz VJSMOMXHTYLKPN-WBVHZDCISA-N 1 3 307.482 2.194 20 0 DEADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000415120495 404812367 /nfs/dbraw/zinc/81/23/67/404812367.db2.gz GDSVIZCIZQRHAV-IEBWSBKVSA-N 1 3 316.445 2.340 20 0 DEADHO CN(Cc1cc(F)cc2cccnc21)C1CC[NH+](CCO)CC1 ZINC000353360203 404812808 /nfs/dbraw/zinc/81/28/08/404812808.db2.gz GHPHMLGANJAITH-UHFFFAOYSA-N 1 3 317.408 2.262 20 0 DEADHO [NH3+]CC1(O)CCN(Cc2cnc(-c3ccccc3)s2)CC1 ZINC000415135712 404816625 /nfs/dbraw/zinc/81/66/25/404816625.db2.gz BKAACMMCJITURP-UHFFFAOYSA-N 1 3 303.431 2.096 20 0 DEADHO CCc1noc(C2CCC(NC[C@]3(COC)CCC[NH2+]3)CC2)n1 ZINC000414947952 404773662 /nfs/dbraw/zinc/77/36/62/404773662.db2.gz WGITUSMNAOOGQD-KVULBXGLSA-N 1 3 322.453 2.016 20 0 DEADHO COCC1(CNCc2cn3cc(Cl)ccc3n2)CC[NH2+]CC1 ZINC000414953125 404774744 /nfs/dbraw/zinc/77/47/44/404774744.db2.gz AKXZWMOOHUYFPS-UHFFFAOYSA-N 1 3 322.840 2.094 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000415563841 404885233 /nfs/dbraw/zinc/88/52/33/404885233.db2.gz HLJJEOYVMFLVFB-OAHLLOKOSA-N 1 3 306.454 2.286 20 0 DEADHO C[C@H](C[NH3+])NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415304246 404843668 /nfs/dbraw/zinc/84/36/68/404843668.db2.gz FQZCTKLMZWYDFL-CQSZACIVSA-N 1 3 320.437 2.020 20 0 DEADHO Cc1nc([C@@H](C)NCC2CC[NH+](CCN(C)C)CC2)cs1 ZINC000360986440 404869648 /nfs/dbraw/zinc/86/96/48/404869648.db2.gz KSFUUCKLTNQGTF-CYBMUJFWSA-N 1 3 310.511 2.376 20 0 DEADHO CC(C)[C@H](N)C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000353752432 404957082 /nfs/dbraw/zinc/95/70/82/404957082.db2.gz GNJPIFWNAVHCFP-NXHRZFHOSA-N 1 3 317.477 2.387 20 0 DEADHO CC(C)[C@H](N)C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000353752432 404957089 /nfs/dbraw/zinc/95/70/89/404957089.db2.gz GNJPIFWNAVHCFP-NXHRZFHOSA-N 1 3 317.477 2.387 20 0 DEADHO C[C@@H](CC(=O)Nc1ccc2c(c1)CNCCO2)C1CC[NH2+]CC1 ZINC000361081057 404908026 /nfs/dbraw/zinc/90/80/26/404908026.db2.gz PMORJMJYLOLFFX-ZDUSSCGKSA-N 1 3 317.433 2.133 20 0 DEADHO C[C@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C[C@@H]1C[NH3+] ZINC000424010934 404969995 /nfs/dbraw/zinc/96/99/95/404969995.db2.gz IUXQVEBMSIPKKH-YJBOKZPZSA-N 1 3 315.461 2.339 20 0 DEADHO CN(C)[C@@H](CNC(=O)NCCC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000416802509 404917848 /nfs/dbraw/zinc/91/78/48/404917848.db2.gz IADOGTGQGLFYJT-SJORKVTESA-N 1 3 318.465 2.121 20 0 DEADHO C[C@@H]([NH3+])C1CCN(C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000416836825 404929072 /nfs/dbraw/zinc/92/90/72/404929072.db2.gz WDMURAYNYISBEH-CQSZACIVSA-N 1 3 310.486 2.020 20 0 DEADHO [NH3+][C@H]1CCCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000416842066 404932100 /nfs/dbraw/zinc/93/21/00/404932100.db2.gz MPAZNXDKYGJWCS-UONOGXRCSA-N 1 3 322.478 2.018 20 0 DEADHO C[C@@H](CCCC[NH3+])NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000416843255 404932176 /nfs/dbraw/zinc/93/21/76/404932176.db2.gz OIUDAUNLSKINPU-RDJZCZTQSA-N 1 3 318.465 2.078 20 0 DEADHO CCN(CC)[C@H](CNC(=O)NCC[C@H](C)[NH3+])c1ccccc1 ZINC000416845620 404932751 /nfs/dbraw/zinc/93/27/51/404932751.db2.gz RWCZKPGJUGSLQC-GOEBONIOSA-N 1 3 306.454 2.106 20 0 DEADHO C[C@@H]1CN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)[C@H](C)CN1 ZINC000417046811 405017448 /nfs/dbraw/zinc/01/74/48/405017448.db2.gz PXYSMTJHRNREDB-OWCLPIDISA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1CN(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)[C@H](C)CN1 ZINC000417046811 405017452 /nfs/dbraw/zinc/01/74/52/405017452.db2.gz PXYSMTJHRNREDB-OWCLPIDISA-N 1 3 310.486 2.033 20 0 DEADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1cccc(CN(C)C)c1 ZINC000417059643 405022677 /nfs/dbraw/zinc/02/26/77/405022677.db2.gz CAXZRAUELRJSMR-KRWDZBQOSA-N 1 3 320.481 2.263 20 0 DEADHO CC(C)C[C@@H](CN(C)C)NC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000417084362 405030552 /nfs/dbraw/zinc/03/05/52/405030552.db2.gz ACRZMXOAMVWWQA-LSDHHAIUSA-N 1 3 312.502 2.040 20 0 DEADHO CC(C)C[C@@H](CN(C)C)NC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000417087661 405031514 /nfs/dbraw/zinc/03/15/14/405031514.db2.gz HPDAUXAOHLAXRG-KRWDZBQOSA-N 1 3 324.513 2.136 20 0 DEADHO CNCc1cccc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000415931080 404975501 /nfs/dbraw/zinc/97/55/01/404975501.db2.gz LMXROPMCPTXJIX-HOTGVXAUSA-N 1 3 302.422 2.154 20 0 DEADHO CNCc1cccc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000415931080 404975506 /nfs/dbraw/zinc/97/55/06/404975506.db2.gz LMXROPMCPTXJIX-HOTGVXAUSA-N 1 3 302.422 2.154 20 0 DEADHO CN(c1ccccc1CN1CCC([NH3+])CC1)C1CCN(C)CC1 ZINC000435387148 404976736 /nfs/dbraw/zinc/97/67/36/404976736.db2.gz XLOARPXBPIEOAX-UHFFFAOYSA-N 1 3 316.493 2.140 20 0 DEADHO C[C@@H](C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)N1CCCCCC1 ZINC000424036999 404978397 /nfs/dbraw/zinc/97/83/97/404978397.db2.gz FYAYUHPYBXPEPD-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO CN(CCCOc1ccc2c(c1)OCO2)[C@H]1CCC[NH2+]CC1 ZINC000435623213 404997440 /nfs/dbraw/zinc/99/74/40/404997440.db2.gz GNNSJXOOIROROM-AWEZNQCLSA-N 1 3 306.406 2.258 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N(C)[C@@H](C)C[NH3+])c1ccsc1 ZINC000417010191 405000243 /nfs/dbraw/zinc/00/02/43/405000243.db2.gz OVBWXVYDGNRSTK-GXTWGEPZSA-N 1 3 312.483 2.120 20 0 DEADHO CC(C)[C@@H](CNC(=O)N1CCN[C@@H](C)[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000417012106 405000581 /nfs/dbraw/zinc/00/05/81/405000581.db2.gz VQQRVXVBTRSRMZ-YESZJQIVSA-N 1 3 324.513 2.135 20 0 DEADHO C[C@H](C[NH3+])CNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000417740737 405095236 /nfs/dbraw/zinc/09/52/36/405095236.db2.gz SCRIKYZWJBQJJK-NFAWXSAZSA-N 1 3 324.494 2.025 20 0 DEADHO CN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCCN(C)C1 ZINC000361501471 405102962 /nfs/dbraw/zinc/10/29/62/405102962.db2.gz QPNBSVBHFYOYJN-RDJZCZTQSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCCN(C)C1 ZINC000361501471 405102968 /nfs/dbraw/zinc/10/29/68/405102968.db2.gz QPNBSVBHFYOYJN-RDJZCZTQSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000389911517 405041112 /nfs/dbraw/zinc/04/11/12/405041112.db2.gz JJFAQTHDQGSEDQ-MXSMSXNCSA-N 1 3 315.461 2.011 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000389898634 405041638 /nfs/dbraw/zinc/04/16/38/405041638.db2.gz BOGVEIXNPFDRLA-AYBZRNKSSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@@H]1CC2(CN1CC(=O)N[C@H]1CCCC[C@H]1C)CC[NH2+]CC2 ZINC000424295116 405061434 /nfs/dbraw/zinc/06/14/34/405061434.db2.gz QRUCOASSXKTDLJ-OAGGEKHMSA-N 1 3 307.482 2.145 20 0 DEADHO Cn1nccc1C1CCN(C[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424308197 405064600 /nfs/dbraw/zinc/06/46/00/405064600.db2.gz ZOIVYKLOTLARGH-INIZCTEOSA-N 1 3 316.424 2.481 20 0 DEADHO Cn1nccc1C1CC[NH+](C[C@H](CN)c2ccc(F)cc2)CC1 ZINC000424308197 405064605 /nfs/dbraw/zinc/06/46/05/405064605.db2.gz ZOIVYKLOTLARGH-INIZCTEOSA-N 1 3 316.424 2.481 20 0 DEADHO COCCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2N)cc1OC ZINC000424369973 405075398 /nfs/dbraw/zinc/07/53/98/405075398.db2.gz BXJCJIKPRIYJSR-HUUCEWRRSA-N 1 3 308.422 2.080 20 0 DEADHO COc1cc2c(cc1CN1CC3(C[C@H]1C)CC[NH2+]CC3)OCO2 ZINC000424381166 405078665 /nfs/dbraw/zinc/07/86/65/405078665.db2.gz QOTUDIHETIILTB-CYBMUJFWSA-N 1 3 318.417 2.388 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCNC(=O)CCCc1ccccc1 ZINC000424386424 405079447 /nfs/dbraw/zinc/07/94/47/405079447.db2.gz XQVGZTDFAGNEKA-AEFFLSMTSA-N 1 3 317.477 2.103 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)N[C@@H](C)CC[NH3+])N2CCCC2)cc1 ZINC000417353200 405087533 /nfs/dbraw/zinc/08/75/33/405087533.db2.gz IDXGUDCIVJVRAI-DOTOQJQBSA-N 1 3 318.465 2.168 20 0 DEADHO CC[C@@H](C)N[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+])c1ccco1 ZINC000424471978 405104852 /nfs/dbraw/zinc/10/48/52/405104852.db2.gz DSGLICWLTVVDEV-KBUPBQIOSA-N 1 3 322.453 2.278 20 0 DEADHO C[C@H]1CCN(C)CCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361508128 405105971 /nfs/dbraw/zinc/10/59/71/405105971.db2.gz IYJDSKHOCWTYHX-JKSUJKDBSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1CCN(C)CCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361508128 405105977 /nfs/dbraw/zinc/10/59/77/405105977.db2.gz IYJDSKHOCWTYHX-JKSUJKDBSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1CCN(C)CCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361508127 405106359 /nfs/dbraw/zinc/10/63/59/405106359.db2.gz IYJDSKHOCWTYHX-HZPDHXFCSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1CCN(C)CCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361508127 405106364 /nfs/dbraw/zinc/10/63/64/405106364.db2.gz IYJDSKHOCWTYHX-HZPDHXFCSA-N 1 3 307.482 2.194 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418803083 405205798 /nfs/dbraw/zinc/20/57/98/405205798.db2.gz YOOBMHGDRYONMF-JKSUJKDBSA-N 1 3 310.486 2.021 20 0 DEADHO COC[C@H](O)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453127219 405285478 /nfs/dbraw/zinc/28/54/78/405285478.db2.gz RGAGUKKHJYTDQK-MKXGPGLRSA-N 1 3 318.461 2.027 20 0 DEADHO COC[C@H](O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453127219 405285481 /nfs/dbraw/zinc/28/54/81/405285481.db2.gz RGAGUKKHJYTDQK-MKXGPGLRSA-N 1 3 318.461 2.027 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000368405634 405239190 /nfs/dbraw/zinc/23/91/90/405239190.db2.gz ZQYIJJNDWPSPTK-IAGOWNOFSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000438910245 405258248 /nfs/dbraw/zinc/25/82/48/405258248.db2.gz GQJGUFUZTNMUNQ-FHLIZLRMSA-N 1 3 319.493 2.382 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000438910245 405258251 /nfs/dbraw/zinc/25/82/51/405258251.db2.gz GQJGUFUZTNMUNQ-FHLIZLRMSA-N 1 3 319.493 2.382 20 0 DEADHO CCOc1ccccc1NC(=O)CCN(C)CC(C)(C)C[NH3+] ZINC000420293189 405308456 /nfs/dbraw/zinc/30/84/56/405308456.db2.gz QKWLJEQHEAKNNF-UHFFFAOYSA-N 1 3 307.438 2.331 20 0 DEADHO CCOc1ccccc1NC(=O)CC[N@H+](C)CC(C)(C)CN ZINC000420293189 405308458 /nfs/dbraw/zinc/30/84/58/405308458.db2.gz QKWLJEQHEAKNNF-UHFFFAOYSA-N 1 3 307.438 2.331 20 0 DEADHO CCOc1ccccc1NC(=O)CC[N@@H+](C)CC(C)(C)CN ZINC000420293189 405308461 /nfs/dbraw/zinc/30/84/61/405308461.db2.gz QKWLJEQHEAKNNF-UHFFFAOYSA-N 1 3 307.438 2.331 20 0 DEADHO C[C@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420306649 405313083 /nfs/dbraw/zinc/31/30/83/405313083.db2.gz QTNVVZFREQTSBQ-YSSFQJQWSA-N 1 3 310.441 2.364 20 0 DEADHO C[C@H]1Cc2ccccc2C[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420306649 405313086 /nfs/dbraw/zinc/31/30/86/405313086.db2.gz QTNVVZFREQTSBQ-YSSFQJQWSA-N 1 3 310.441 2.364 20 0 DEADHO FC(F)C(F)(F)COCCN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420307700 405313248 /nfs/dbraw/zinc/31/32/48/405313248.db2.gz CBVBZBZYYCRACZ-GFCCVEGCSA-N 1 3 312.351 2.225 20 0 DEADHO CN(CC[C@H]1CCC[NH2+]C1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000420312369 405315244 /nfs/dbraw/zinc/31/52/44/405315244.db2.gz WVEOIHQNQPZNQJ-NVXWUHKLSA-N 1 3 301.434 2.113 20 0 DEADHO COC(=O)CCN1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000420316539 405317172 /nfs/dbraw/zinc/31/71/72/405317172.db2.gz SXTGSVADPLXNOJ-IAGOWNOFSA-N 1 3 304.434 2.222 20 0 DEADHO COC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H](CN)Cc1ccccc1 ZINC000420316539 405317174 /nfs/dbraw/zinc/31/71/74/405317174.db2.gz SXTGSVADPLXNOJ-IAGOWNOFSA-N 1 3 304.434 2.222 20 0 DEADHO COC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H](CN)Cc1ccccc1 ZINC000420316539 405317176 /nfs/dbraw/zinc/31/71/76/405317176.db2.gz SXTGSVADPLXNOJ-IAGOWNOFSA-N 1 3 304.434 2.222 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN(C[C@@H]2CCOC2)C2CC2)cc1 ZINC000420322870 405319451 /nfs/dbraw/zinc/31/94/51/405319451.db2.gz SPDDODBZJVFNJW-GOEBONIOSA-N 1 3 304.434 2.238 20 0 DEADHO COC(=O)c1ccccc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420329560 405321375 /nfs/dbraw/zinc/32/13/75/405321375.db2.gz OREWKIWBHINECY-LSDHHAIUSA-N 1 3 302.418 2.295 20 0 DEADHO C[C@H](C(=O)Nc1cccc(F)c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420332152 405322548 /nfs/dbraw/zinc/32/25/48/405322548.db2.gz CRRDHPATLZBEPW-KFWWJZLASA-N 1 3 319.424 2.474 20 0 DEADHO C[C@@H](C(=O)NC1CCC(C)CC1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420337018 405324408 /nfs/dbraw/zinc/32/44/08/405324408.db2.gz JGXSAJGJALRGBD-XTJLLSPMSA-N 1 3 321.509 2.391 20 0 DEADHO CCN(C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420342887 405326353 /nfs/dbraw/zinc/32/63/53/405326353.db2.gz QKCOLBWELLKTQH-IRXDYDNUSA-N 1 3 315.461 2.361 20 0 DEADHO CSc1cccc(NC(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420345078 405326873 /nfs/dbraw/zinc/32/68/73/405326873.db2.gz VDWBWUDBQLAHFU-OKILXGFUSA-N 1 3 319.474 2.278 20 0 DEADHO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420344027 405327107 /nfs/dbraw/zinc/32/71/07/405327107.db2.gz RSAUEBWSBCCJJC-FPSMNIFISA-N 1 3 321.509 2.391 20 0 DEADHO Cc1nc(N2CCN(CCC3CC[NH2+]CC3)CC2)sc1C ZINC000420358061 405330649 /nfs/dbraw/zinc/33/06/49/405330649.db2.gz IZPJFKQOXUHLLU-UHFFFAOYSA-N 1 3 308.495 2.272 20 0 DEADHO C[C@H](C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)CN(C)C ZINC000425946312 405332061 /nfs/dbraw/zinc/33/20/61/405332061.db2.gz VFTQNPRTYPRXHJ-NUJGCVRESA-N 1 3 304.482 2.079 20 0 DEADHO C[C@@H]1CCC[C@](CNC(=O)N(C)C[C@@H]2CCCN2C)([NH+](C)C)C1 ZINC000420795024 405385727 /nfs/dbraw/zinc/38/57/27/405385727.db2.gz DFUSUTJKYPICJA-RYRKJORJSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H](CNC(=O)NC1CCC([NH+](C)C)CC1)N1CCCC[C@H]1C ZINC000420802456 405387250 /nfs/dbraw/zinc/38/72/50/405387250.db2.gz PPOIWKBVPOTSPG-NUWOQIAWSA-N 1 3 324.513 2.421 20 0 DEADHO COc1cccc(NC(=O)CCN2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000430551976 405455750 /nfs/dbraw/zinc/45/57/50/405455750.db2.gz AGBUZNSAUPYHJJ-KBPBESRZSA-N 1 3 305.422 2.083 20 0 DEADHO CC[NH2+]CC1CCN([C@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000430581345 405461189 /nfs/dbraw/zinc/46/11/89/405461189.db2.gz HEYZTAPTLDYCLC-OWCLPIDISA-N 1 3 309.498 2.201 20 0 DEADHO CCN(C(=O)CN1CCC(C[NH3+])CC1)[C@H](C)c1ccc(F)cc1 ZINC000430616127 405467719 /nfs/dbraw/zinc/46/77/19/405467719.db2.gz DUNINALTUKUYBX-CQSZACIVSA-N 1 3 321.440 2.406 20 0 DEADHO C[C@@H](C(=O)N(C)c1ccccc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431015392 405561177 /nfs/dbraw/zinc/56/11/77/405561177.db2.gz UDMPKCMETYIIHL-HNNXBMFYSA-N 1 3 301.434 2.113 20 0 DEADHO C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431026508 405562912 /nfs/dbraw/zinc/56/29/12/405562912.db2.gz FOQTZZFYAAUIGZ-MRXNPFEDSA-N 1 3 315.461 2.109 20 0 DEADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)c1cccc(CN2CCCC2)c1 ZINC000638503718 405511957 /nfs/dbraw/zinc/51/19/57/405511957.db2.gz AIFQDBVTALMGBB-QGZVFWFLSA-N 1 3 313.445 2.297 20 0 DEADHO CC(C)(C(=O)N[C@H]1CC[NH2+]C12CCC2)[C@@H](N)c1ccccc1 ZINC000638508797 405516652 /nfs/dbraw/zinc/51/66/52/405516652.db2.gz BCLMQWSORMTPGO-GJZGRUSLSA-N 1 3 301.434 2.113 20 0 DEADHO C[N@H+](C[C@H](O)CN[C@H]1C[C@H](c2cc(F)cc(F)c2)C1)C1CC1 ZINC000577842333 405524138 /nfs/dbraw/zinc/52/41/38/405524138.db2.gz RJLJADLREOFKQJ-SRCQZFHVSA-N 1 3 310.388 2.256 20 0 DEADHO C[N@@H+](C[C@H](O)CN[C@H]1C[C@H](c2cc(F)cc(F)c2)C1)C1CC1 ZINC000577842333 405524139 /nfs/dbraw/zinc/52/41/39/405524139.db2.gz RJLJADLREOFKQJ-SRCQZFHVSA-N 1 3 310.388 2.256 20 0 DEADHO C[C@@H]([NH3+])C1CCN([C@H](C)C(=O)NC[C@@H](C)c2ccccc2)CC1 ZINC000430956547 405544697 /nfs/dbraw/zinc/54/46/97/405544697.db2.gz PEUYSJDHOUUJAL-BZUAXINKSA-N 1 3 317.477 2.354 20 0 DEADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000638668973 405606843 /nfs/dbraw/zinc/60/68/43/405606843.db2.gz UQVWZBQJTKRJDS-AWEZNQCLSA-N 1 3 305.422 2.131 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000458816846 405607192 /nfs/dbraw/zinc/60/71/92/405607192.db2.gz SFXNPDMOEVYWSL-JKSUJKDBSA-N 1 3 312.502 2.231 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000458816846 405607200 /nfs/dbraw/zinc/60/72/00/405607200.db2.gz SFXNPDMOEVYWSL-JKSUJKDBSA-N 1 3 312.502 2.231 20 0 DEADHO CC(C)(O)CN1CCC([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000638734697 405639875 /nfs/dbraw/zinc/63/98/75/405639875.db2.gz MNFQMFWFKOLLQX-UHFFFAOYSA-N 1 3 323.525 2.218 20 0 DEADHO CC(C)CC[C@H](O)C[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000580555008 405641673 /nfs/dbraw/zinc/64/16/73/405641673.db2.gz AZPYCUABNOZWGA-RBUKOAKNSA-N 1 3 320.477 2.140 20 0 DEADHO O=C1CCCCCN1CCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422758154 405678414 /nfs/dbraw/zinc/67/84/14/405678414.db2.gz NPFRZEDSMSOCHL-ZACQAIPSSA-N 1 3 307.482 2.289 20 0 DEADHO Cc1ccc([C@H](CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])N2CCCC2)o1 ZINC000422885179 405689796 /nfs/dbraw/zinc/68/97/96/405689796.db2.gz YISIUYXSNJMTEX-VQHPVUNQSA-N 1 3 321.465 2.067 20 0 DEADHO CN(C)C1(C[NH2+][C@@H]2CCCCC[C@@H]2N)Cc2ccccc2C1 ZINC000422776123 405682148 /nfs/dbraw/zinc/68/21/48/405682148.db2.gz DBQRVLFDGGNJLS-ZWKOTPCHSA-N 1 3 301.478 2.335 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000423066373 405699509 /nfs/dbraw/zinc/69/95/09/405699509.db2.gz WTYAQHUVQFHSBJ-ATZDWAIDSA-N 1 3 301.478 2.485 20 0 DEADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000449724282 405711360 /nfs/dbraw/zinc/71/13/60/405711360.db2.gz MVZPVAAHEGNMKZ-AEFFLSMTSA-N 1 3 315.461 2.142 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)CC[N@@H+]1C ZINC000449940188 405720577 /nfs/dbraw/zinc/72/05/77/405720577.db2.gz LJECDIAXZBJAGW-INMHGKMJSA-N 1 3 307.482 2.382 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)CC[N@H+]1C ZINC000449940188 405720587 /nfs/dbraw/zinc/72/05/87/405720587.db2.gz LJECDIAXZBJAGW-INMHGKMJSA-N 1 3 307.482 2.382 20 0 DEADHO O=C(CNC1CC1)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638850014 405713395 /nfs/dbraw/zinc/71/33/95/405713395.db2.gz ALQZIINVXQNJHS-SFHVURJKSA-N 1 3 315.461 2.299 20 0 DEADHO O=C(CNC1CC1)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638850014 405713397 /nfs/dbraw/zinc/71/33/97/405713397.db2.gz ALQZIINVXQNJHS-SFHVURJKSA-N 1 3 315.461 2.299 20 0 DEADHO CCN1CCN(CCC[NH2+]Cc2c(C)cccc2OC)CC1 ZINC000638853849 405716474 /nfs/dbraw/zinc/71/64/74/405716474.db2.gz PSYHXXJBKYJTLO-UHFFFAOYSA-N 1 3 305.466 2.121 20 0 DEADHO CC(C)[C@H](C(=O)NCCCC[N@H+](C)C1CC1)N1CCCCC1 ZINC000457204939 405749654 /nfs/dbraw/zinc/74/96/54/405749654.db2.gz QNQCTIXPVWNJBE-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@H](C(=O)NCCCC[N@@H+](C)C1CC1)N1CCCCC1 ZINC000457204939 405749661 /nfs/dbraw/zinc/74/96/61/405749661.db2.gz QNQCTIXPVWNJBE-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1ccccc1[C@H](C)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423397285 405790526 /nfs/dbraw/zinc/79/05/26/405790526.db2.gz UPGJZHGFBAJOBH-DZGCQCFKSA-N 1 3 315.383 2.482 20 0 DEADHO CCN1CCC[C@H](NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000423353997 405772298 /nfs/dbraw/zinc/77/22/98/405772298.db2.gz MNJURLDNVFICKM-HOTGVXAUSA-N 1 3 303.450 2.313 20 0 DEADHO C[NH2+]CCc1ccccc1C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000423353050 405773342 /nfs/dbraw/zinc/77/33/42/405773342.db2.gz CEZTXVHUGHFTPU-MRXNPFEDSA-N 1 3 317.477 2.299 20 0 DEADHO C[C@@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)[C@H]2CCCC[C@H]12 ZINC000560957226 405880214 /nfs/dbraw/zinc/88/02/14/405880214.db2.gz NZEAIAVNYRFMCH-TWMKSMIVSA-N 1 3 307.482 2.084 20 0 DEADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)[C@H]2CCCC[C@H]12 ZINC000560957226 405880221 /nfs/dbraw/zinc/88/02/21/405880221.db2.gz NZEAIAVNYRFMCH-TWMKSMIVSA-N 1 3 307.482 2.084 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)N(C)C ZINC000633799325 405844472 /nfs/dbraw/zinc/84/44/72/405844472.db2.gz DKYOSWLUIPWZLX-KBAYOESNSA-N 1 3 317.477 2.211 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)N(C)C ZINC000633799325 405844475 /nfs/dbraw/zinc/84/44/75/405844475.db2.gz DKYOSWLUIPWZLX-KBAYOESNSA-N 1 3 317.477 2.211 20 0 DEADHO Cn1cc([C@H](N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccc2)cn1 ZINC000423537562 405847642 /nfs/dbraw/zinc/84/76/42/405847642.db2.gz DCEBEWSLFWNVNF-UKBAYJJMSA-N 1 3 310.445 2.487 20 0 DEADHO C[C@@H](CC(=O)NCc1ccc(CN(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000423733376 405934400 /nfs/dbraw/zinc/93/44/00/405934400.db2.gz PVHLHJGJYKPYRV-MAUKXSAKSA-N 1 3 317.477 2.390 20 0 DEADHO COC(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1 ZINC000496374808 405967039 /nfs/dbraw/zinc/96/70/39/405967039.db2.gz MIPPCNZYHUMOAM-BZUAXINKSA-N 1 3 309.454 2.118 20 0 DEADHO CN(C)CCN(CCCc1ccccc1)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000423746618 405942868 /nfs/dbraw/zinc/94/28/68/405942868.db2.gz NYUMGTSDCBLDHS-SFHVURJKSA-N 1 3 317.477 2.009 20 0 DEADHO C[C@H]1C[C@@H](NCc2ccncc2OCCC[NH+](C)C)CS1 ZINC000639185597 405955024 /nfs/dbraw/zinc/95/50/24/405955024.db2.gz PRIRMEJOXLMWLJ-DZGCQCFKSA-N 1 3 309.479 2.396 20 0 DEADHO CN(C)CC(C)(C)[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000459561228 405956850 /nfs/dbraw/zinc/95/68/50/405956850.db2.gz OWOBHCJZESRDHA-SFHVURJKSA-N 1 3 319.493 2.207 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000423773966 405957130 /nfs/dbraw/zinc/95/71/30/405957130.db2.gz KFZFADJXCMSIQI-FZCLSBEQSA-N 1 3 315.461 2.011 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000423775203 405958786 /nfs/dbraw/zinc/95/87/86/405958786.db2.gz OKSUJEHAUZVCEJ-CQSZACIVSA-N 1 3 309.479 2.171 20 0 DEADHO CN(C)C[C@H](NC(=O)CC[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423781476 405963271 /nfs/dbraw/zinc/96/32/71/405963271.db2.gz XRIHOSNTFQXPEW-BBRMVZONSA-N 1 3 323.868 2.449 20 0 DEADHO COc1cc(CNCC[C@H]2CCC[N@H+](C)C2)cc2c1OCO2 ZINC000459722824 406019119 /nfs/dbraw/zinc/01/91/19/406019119.db2.gz CBMBQSJGCUHUBG-CYBMUJFWSA-N 1 3 306.406 2.245 20 0 DEADHO COc1cc(CNCC[C@H]2CCC[N@@H+](C)C2)cc2c1OCO2 ZINC000459722824 406019123 /nfs/dbraw/zinc/01/91/23/406019123.db2.gz CBMBQSJGCUHUBG-CYBMUJFWSA-N 1 3 306.406 2.245 20 0 DEADHO COCC[N@H+](C)CCCN[C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000531939444 406025059 /nfs/dbraw/zinc/02/50/59/406025059.db2.gz SLHRFWOHTXUJAQ-CQSZACIVSA-N 1 3 319.449 2.190 20 0 DEADHO COCC[N@@H+](C)CCCN[C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000531939444 406025068 /nfs/dbraw/zinc/02/50/68/406025068.db2.gz SLHRFWOHTXUJAQ-CQSZACIVSA-N 1 3 319.449 2.190 20 0 DEADHO CCC[N@H+](CCN1CCN(CC)CC1)CC1CC(F)(F)C1 ZINC000451036440 406025908 /nfs/dbraw/zinc/02/59/08/406025908.db2.gz KSSGJQDFKRDBEO-UHFFFAOYSA-N 1 3 303.441 2.381 20 0 DEADHO CCC[N@@H+](CCN1CCN(CC)CC1)CC1CC(F)(F)C1 ZINC000451036440 406025913 /nfs/dbraw/zinc/02/59/13/406025913.db2.gz KSSGJQDFKRDBEO-UHFFFAOYSA-N 1 3 303.441 2.381 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc2sccc2c1 ZINC000531618334 405986618 /nfs/dbraw/zinc/98/66/18/405986618.db2.gz SSCNWSNGRBRKCG-UHFFFAOYSA-N 1 3 319.474 2.467 20 0 DEADHO Cn1cnc(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)c1 ZINC000459653188 405995799 /nfs/dbraw/zinc/99/57/99/405995799.db2.gz DBQGRZSYTGSMRA-MISYRCLQSA-N 1 3 324.472 2.463 20 0 DEADHO Cn1cnc(CCN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000459653188 405995804 /nfs/dbraw/zinc/99/58/04/405995804.db2.gz DBQGRZSYTGSMRA-MISYRCLQSA-N 1 3 324.472 2.463 20 0 DEADHO Cn1cnc(CCN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000459653188 405995811 /nfs/dbraw/zinc/99/58/11/405995811.db2.gz DBQGRZSYTGSMRA-MISYRCLQSA-N 1 3 324.472 2.463 20 0 DEADHO Cn1cnc(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000459653186 405996892 /nfs/dbraw/zinc/99/68/92/405996892.db2.gz DBQGRZSYTGSMRA-DFQSSKMNSA-N 1 3 324.472 2.463 20 0 DEADHO Cn1cnc(CCN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000459653186 405996899 /nfs/dbraw/zinc/99/68/99/405996899.db2.gz DBQGRZSYTGSMRA-DFQSSKMNSA-N 1 3 324.472 2.463 20 0 DEADHO Cn1cnc(CCN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000459653186 405996904 /nfs/dbraw/zinc/99/69/04/405996904.db2.gz DBQGRZSYTGSMRA-DFQSSKMNSA-N 1 3 324.472 2.463 20 0 DEADHO CC(C)[C@H]1CN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)CCN1C ZINC000634301104 406089922 /nfs/dbraw/zinc/08/99/22/406089922.db2.gz WTJMSQRYMBYYDS-DLBZAZTESA-N 1 3 301.434 2.020 20 0 DEADHO CC(C)[C@H](CNC(=O)[C@@H]1CCCCCN1)[NH+]1CCC(C)CC1 ZINC000567616313 406106203 /nfs/dbraw/zinc/10/62/03/406106203.db2.gz ZJIQVVHDELXXQJ-IRXDYDNUSA-N 1 3 309.498 2.391 20 0 DEADHO CN1CCC[C@H](CNC(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000518682172 406152535 /nfs/dbraw/zinc/15/25/35/406152535.db2.gz URLADOYVGZFVTQ-MRXNPFEDSA-N 1 3 324.513 2.282 20 0 DEADHO CCOc1ccc(C[NH2+]C[C@@H](C)N2CCN(CC)CC2)cc1F ZINC000486945091 406191688 /nfs/dbraw/zinc/19/16/88/406191688.db2.gz QBEMSFJGJUXJKT-OAHLLOKOSA-N 1 3 323.456 2.340 20 0 DEADHO O[C@]1(CNCCOC2CCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634701769 406233750 /nfs/dbraw/zinc/23/37/50/406233750.db2.gz VMQGYQFVYZZQRR-IBGZPJMESA-N 1 3 318.461 2.172 20 0 DEADHO O[C@]1(CNCCOC2CCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634701769 406233751 /nfs/dbraw/zinc/23/37/51/406233751.db2.gz VMQGYQFVYZZQRR-IBGZPJMESA-N 1 3 318.461 2.172 20 0 DEADHO COc1cccc(CCCN2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000639763374 406241395 /nfs/dbraw/zinc/24/13/95/406241395.db2.gz RBRVPNULAYJXKC-SFHVURJKSA-N 1 3 306.450 2.016 20 0 DEADHO CC1(C)CNCC[C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000634732921 406252830 /nfs/dbraw/zinc/25/28/30/406252830.db2.gz RVRFNHFPCDNCPT-CYBMUJFWSA-N 1 3 307.404 2.381 20 0 DEADHO CN(Cc1ccccc1)C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC000569071585 292387061 /nfs/dbraw/zinc/38/70/61/292387061.db2.gz SIISVCYWXLMXAV-QGZVFWFLSA-N 1 3 315.461 2.109 20 0 DEADHO CN(Cc1ccccc1)C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC000569071585 292387062 /nfs/dbraw/zinc/38/70/62/292387062.db2.gz SIISVCYWXLMXAV-QGZVFWFLSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000546016247 406345201 /nfs/dbraw/zinc/34/52/01/406345201.db2.gz CZKMAISTGWRZKZ-WBVHZDCISA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000546016247 406345205 /nfs/dbraw/zinc/34/52/05/406345205.db2.gz CZKMAISTGWRZKZ-WBVHZDCISA-N 1 3 309.498 2.440 20 0 DEADHO CCCC[N@H+](C)CCNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000488957844 406364316 /nfs/dbraw/zinc/36/43/16/406364316.db2.gz VPPWFOJOJPSCQT-YESZJQIVSA-N 1 3 324.513 2.090 20 0 DEADHO CCCC[N@@H+](C)CCNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000488957844 406364322 /nfs/dbraw/zinc/36/43/22/406364322.db2.gz VPPWFOJOJPSCQT-YESZJQIVSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000520578125 406303049 /nfs/dbraw/zinc/30/30/49/406303049.db2.gz VHMPGJWZMCPOAS-PWUWZPNHSA-N 1 3 310.486 2.018 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000525301405 406483612 /nfs/dbraw/zinc/48/36/12/406483612.db2.gz JCAHOVUUVCCGGV-IAGOWNOFSA-N 1 3 324.513 2.090 20 0 DEADHO N[C@@H](CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000637831306 406437532 /nfs/dbraw/zinc/43/75/32/406437532.db2.gz BZRWAGKUFSEOMT-OALUTQOASA-N 1 3 323.440 2.325 20 0 DEADHO N[C@@H](CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000637831306 406437537 /nfs/dbraw/zinc/43/75/37/406437537.db2.gz BZRWAGKUFSEOMT-OALUTQOASA-N 1 3 323.440 2.325 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3CCCC3)CC2)CC1 ZINC000572106723 406606754 /nfs/dbraw/zinc/60/67/54/406606754.db2.gz MSTXAUMYCIYZPT-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CC[NH2+][C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000638103614 406571979 /nfs/dbraw/zinc/57/19/79/406571979.db2.gz RPWZVVUCBIJEKV-UXLLHSPISA-N 1 3 303.450 2.154 20 0 DEADHO c1cc(N2CCN(CCC[NH2+][C@H]3CCC[C@H]4C[C@H]43)CC2)ccn1 ZINC000549034792 406572339 /nfs/dbraw/zinc/57/23/39/406572339.db2.gz ACHDKHDFRMHQSE-UHOSZYNNSA-N 1 3 314.477 2.372 20 0 DEADHO CN(C)C/C=C\C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000491648368 406650750 /nfs/dbraw/zinc/65/07/50/406650750.db2.gz ZWYBILVNIBZKDS-SREVYHEPSA-N 1 3 315.461 2.407 20 0 DEADHO CCc1ccc([C@H](CNC(=O)/C=C\C[NH+](C)C)N(C)C)cc1 ZINC000491685407 406668781 /nfs/dbraw/zinc/66/87/81/406668781.db2.gz KXJOTMUGBHDKOK-QWPQOLDESA-N 1 3 303.450 2.086 20 0 DEADHO CC(C)CC[C@@H](N)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000638290101 406675587 /nfs/dbraw/zinc/67/55/87/406675587.db2.gz YWGZSKBGMTXRKY-QGZVFWFLSA-N 1 3 318.465 2.178 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](CN[C@@H](c2cn[nH]n2)c2ccc(F)cc2)C1 ZINC000572510856 406684665 /nfs/dbraw/zinc/68/46/65/406684665.db2.gz XZNCVQZRNLVHMM-DJSGYFEHSA-N 1 3 303.385 2.140 20 0 DEADHO COc1cc(C[C@H](C)NC2CC[NH+](CC3CC3)CC2)ccn1 ZINC000638383968 406739298 /nfs/dbraw/zinc/73/92/98/406739298.db2.gz PXYTXPYVLBATPF-AWEZNQCLSA-N 1 3 303.450 2.485 20 0 DEADHO CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000646011999 406742853 /nfs/dbraw/zinc/74/28/53/406742853.db2.gz DOJDTEMHRHMRRU-OIISXLGYSA-N 1 3 303.450 2.313 20 0 DEADHO CN(CC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)CC(C)(C)C ZINC000638402427 406750593 /nfs/dbraw/zinc/75/05/93/406750593.db2.gz MNVMOYVUBFZSAV-INIZCTEOSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000527801842 406755941 /nfs/dbraw/zinc/75/59/41/406755941.db2.gz WYZYFGNUSMZEJA-WBVHZDCISA-N 1 3 322.497 2.033 20 0 DEADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000527801842 406755944 /nfs/dbraw/zinc/75/59/44/406755944.db2.gz WYZYFGNUSMZEJA-WBVHZDCISA-N 1 3 322.497 2.033 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCN1CC[C@@H](C(=O)NCc2ccccc2)C1 ZINC000646056982 406760723 /nfs/dbraw/zinc/76/07/23/406760723.db2.gz POJNPYAKOJVXLU-QZTJIDSGSA-N 1 3 315.461 2.109 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCN1CC[C@@H](C(=O)NCc2ccccc2)C1 ZINC000646056982 406760727 /nfs/dbraw/zinc/76/07/27/406760727.db2.gz POJNPYAKOJVXLU-QZTJIDSGSA-N 1 3 315.461 2.109 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[C@H](N)c1ccccc1 ZINC000645953507 406719630 /nfs/dbraw/zinc/71/96/30/406719630.db2.gz WQSOPYWLBFCSKV-IAGOWNOFSA-N 1 3 315.461 2.313 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@H](N)c1ccccc1 ZINC000645953507 406719633 /nfs/dbraw/zinc/71/96/33/406719633.db2.gz WQSOPYWLBFCSKV-IAGOWNOFSA-N 1 3 315.461 2.313 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNCc2cc3c(cn2)OCCO3)C1 ZINC000638365796 406727529 /nfs/dbraw/zinc/72/75/29/406727529.db2.gz HWNXLRZIKXQKRJ-OAHLLOKOSA-N 1 3 319.449 2.455 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNCc2cc3c(cn2)OCCO3)C1 ZINC000638365796 406727535 /nfs/dbraw/zinc/72/75/35/406727535.db2.gz HWNXLRZIKXQKRJ-OAHLLOKOSA-N 1 3 319.449 2.455 20 0 DEADHO C[NH+]1CCC2(CC1)CN(CCCCC1CCOCC1)CCO2 ZINC000646106786 406782487 /nfs/dbraw/zinc/78/24/87/406782487.db2.gz SIJOXILFNJEOJB-UHFFFAOYSA-N 1 3 310.482 2.380 20 0 DEADHO C[C@H]([NH3+])CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000641414117 406799155 /nfs/dbraw/zinc/79/91/55/406799155.db2.gz VOFBNONRIQOCLA-YQQAZPJKSA-N 1 3 318.465 2.028 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000646211553 406817279 /nfs/dbraw/zinc/81/72/79/406817279.db2.gz NLCHIRWAXDZISN-JKSUJKDBSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000646211550 406817363 /nfs/dbraw/zinc/81/73/63/406817363.db2.gz NLCHIRWAXDZISN-CVEARBPZSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000646213731 406818375 /nfs/dbraw/zinc/81/83/75/406818375.db2.gz TXKMHJHJNHXMLF-UXLLHSPISA-N 1 3 318.465 2.028 20 0 DEADHO CCN(C(=O)NC[C@H](C)[NH3+])[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000641505926 406828571 /nfs/dbraw/zinc/82/85/71/406828571.db2.gz PFODUTJTZJLLEV-ZOBUZTSGSA-N 1 3 318.465 2.201 20 0 DEADHO CCC[C@](C)(N)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000646279079 406833505 /nfs/dbraw/zinc/83/35/05/406833505.db2.gz WSPCKLXBPNGEBL-KRWDZBQOSA-N 1 3 307.438 2.473 20 0 DEADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000646408841 406858969 /nfs/dbraw/zinc/85/89/69/406858969.db2.gz MYJHLPVKHKOBOA-QZTJIDSGSA-N 1 3 315.461 2.329 20 0 DEADHO C[NH+](C)CCOCCNCc1cc(Cl)cc(Cl)c1N ZINC000641749196 406883521 /nfs/dbraw/zinc/88/35/21/406883521.db2.gz VFZWEZJUWQDTRF-UHFFFAOYSA-N 1 3 306.237 2.243 20 0 DEADHO CCN(CC)CC[C@@H](CO)[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000641771594 406888983 /nfs/dbraw/zinc/88/89/83/406888983.db2.gz JUFFGUISPJBUSU-AWEZNQCLSA-N 1 3 322.478 2.116 20 0 DEADHO CCc1nc(C)c(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)o1 ZINC000641798723 406894508 /nfs/dbraw/zinc/89/45/08/406894508.db2.gz HNNPYXRVLNNUKQ-PBHICJAKSA-N 1 3 307.438 2.264 20 0 DEADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000641803783 406896165 /nfs/dbraw/zinc/89/61/65/406896165.db2.gz HMPNJUXCUQBFAF-ZACQAIPSSA-N 1 3 315.461 2.286 20 0 DEADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NCCCc1nc(-c2cccs2)no1 ZINC000641807110 406897659 /nfs/dbraw/zinc/89/76/59/406897659.db2.gz QKCDOMYEORGHBU-RYUDHWBXSA-N 1 3 306.435 2.446 20 0 DEADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000643057197 406949886 /nfs/dbraw/zinc/94/98/86/406949886.db2.gz YCHPVDGVMXLESX-HOTGVXAUSA-N 1 3 314.433 2.340 20 0 DEADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000643057197 406949891 /nfs/dbraw/zinc/94/98/91/406949891.db2.gz YCHPVDGVMXLESX-HOTGVXAUSA-N 1 3 314.433 2.340 20 0 DEADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000643057197 406949894 /nfs/dbraw/zinc/94/98/94/406949894.db2.gz YCHPVDGVMXLESX-HOTGVXAUSA-N 1 3 314.433 2.340 20 0 DEADHO CC(=O)N1CC[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)c2ccccc2C1 ZINC000643524044 407010974 /nfs/dbraw/zinc/01/09/74/407010974.db2.gz BQSKGRLNGSMYQP-RYRKJORJSA-N 1 3 301.434 2.339 20 0 DEADHO COc1cc(NC(C)=O)ccc1[C@H](C)N[C@@H]1CC12CC[NH2+]CC2 ZINC000643536819 407012113 /nfs/dbraw/zinc/01/21/13/407012113.db2.gz WVVBMJIFFWVJMV-YVEFUNNKSA-N 1 3 317.433 2.446 20 0 DEADHO [NH3+]C[C@@H]1CN(Cc2nccc3ccccc32)CC12CCOCC2 ZINC000647545466 407017805 /nfs/dbraw/zinc/01/78/05/407017805.db2.gz PTRFSKSSSKMPQH-MRXNPFEDSA-N 1 3 311.429 2.422 20 0 DEADHO CCN1CCN(c2cccc(N[C@H]3C[NH2+]C[C@H](C)C3)c2)CC1 ZINC000647551214 407018968 /nfs/dbraw/zinc/01/89/68/407018968.db2.gz AVWKQNWVBSHHBC-NVXWUHKLSA-N 1 3 302.466 2.238 20 0 DEADHO COc1cc(CNCc2ccc(C[NH3+])cc2)cc2c1OCO2 ZINC000647553017 407019565 /nfs/dbraw/zinc/01/95/65/407019565.db2.gz NGYMLLLRYVGXRJ-UHFFFAOYSA-N 1 3 300.358 2.172 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000647617245 407023953 /nfs/dbraw/zinc/02/39/53/407023953.db2.gz MADZVIOEPJXOEU-ZACQAIPSSA-N 1 3 307.482 2.382 20 0 DEADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCCc2ncn(C)n2)CC1 ZINC000647325887 406986345 /nfs/dbraw/zinc/98/63/45/406986345.db2.gz SEDMATVHVBVSSO-NVXWUHKLSA-N 1 3 319.497 2.380 20 0 DEADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CCCc2ncn(C)n2)CC1 ZINC000647325887 406986348 /nfs/dbraw/zinc/98/63/48/406986348.db2.gz SEDMATVHVBVSSO-NVXWUHKLSA-N 1 3 319.497 2.380 20 0 DEADHO Cc1nc(CN2CCC(C[NH2+][C@@H]3CCC[C@H]3CN)CC2)oc1C ZINC000643452130 407001648 /nfs/dbraw/zinc/00/16/48/407001648.db2.gz GPFWJELXCZQSHQ-DLBZAZTESA-N 1 3 320.481 2.220 20 0 DEADHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000643452190 407001689 /nfs/dbraw/zinc/00/16/89/407001689.db2.gz MEMKNLTWGOBPFZ-MSOLQXFVSA-N 1 3 304.434 2.352 20 0 DEADHO COc1ccccc1C(C)(C)CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000643457602 407002334 /nfs/dbraw/zinc/00/23/34/407002334.db2.gz PPOCPKXMYXQPNR-IJEWVQPXSA-N 1 3 306.450 2.315 20 0 DEADHO COc1ccccc1C(C)(C)C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N ZINC000643457602 407002337 /nfs/dbraw/zinc/00/23/37/407002337.db2.gz PPOCPKXMYXQPNR-IJEWVQPXSA-N 1 3 306.450 2.315 20 0 DEADHO C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccc(OCCN(C)C)cc2)C1 ZINC000647496699 407007675 /nfs/dbraw/zinc/00/76/75/407007675.db2.gz BHMXWYDTJYBYSN-WBVHZDCISA-N 1 3 305.466 2.186 20 0 DEADHO CC[C@@H]1CCCCN1C(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647974920 407090651 /nfs/dbraw/zinc/09/06/51/407090651.db2.gz BZLMLCPGPDNURE-FGTMMUONSA-N 1 3 321.509 2.489 20 0 DEADHO C[NH+]1CCC2(CC1)CN(C[C@@H]1CCOc3ccccc31)CCO2 ZINC000648071635 407113876 /nfs/dbraw/zinc/11/38/76/407113876.db2.gz MAQSCIHWRKGCLC-INIZCTEOSA-N 1 3 316.445 2.349 20 0 DEADHO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000647831899 407058313 /nfs/dbraw/zinc/05/83/13/407058313.db2.gz RBJZQHUOGNPHND-QAPCUYQASA-N 1 3 315.461 2.447 20 0 DEADHO CC[C@@H]1CN(CCC(=O)Nc2cccc(OC)c2)CC[C@@H]1[NH3+] ZINC000647936489 407079421 /nfs/dbraw/zinc/07/94/21/407079421.db2.gz GGGPDMCEZSIZFF-CJNGLKHVSA-N 1 3 305.422 2.083 20 0 DEADHO Cc1csc(CCNC[C@@H](O)C[N@@H+](C)Cc2ccccc2)n1 ZINC000644517111 407134653 /nfs/dbraw/zinc/13/46/53/407134653.db2.gz ULDFQONHXVHDJC-MRXNPFEDSA-N 1 3 319.474 2.077 20 0 DEADHO Cc1csc(CCNC[C@@H](O)C[N@H+](C)Cc2ccccc2)n1 ZINC000644517111 407134656 /nfs/dbraw/zinc/13/46/56/407134656.db2.gz ULDFQONHXVHDJC-MRXNPFEDSA-N 1 3 319.474 2.077 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000645107911 407232523 /nfs/dbraw/zinc/23/25/23/407232523.db2.gz SOMZENNDFOIWCC-BRWVUGGUSA-N 1 3 307.482 2.275 20 0 DEADHO C[C@@H]([NH3+])c1ccc(C(=O)N2CCN(c3ccncc3)CC2)cc1 ZINC000645221518 407249024 /nfs/dbraw/zinc/24/90/24/407249024.db2.gz PLBMSLJZMDPKMR-CQSZACIVSA-N 1 3 310.401 2.064 20 0 DEADHO CCCN(C(=O)NCCC1CC[NH+](CC)CC1)[C@@H]1CCN(C)C1 ZINC000645329079 407265022 /nfs/dbraw/zinc/26/50/22/407265022.db2.gz ZHORURDMAFRJBE-QGZVFWFLSA-N 1 3 324.513 2.234 20 0 DEADHO [NH3+]C1(CC(=O)NC2CCN(CCc3ccccc3)CC2)CCC1 ZINC000645477527 407283821 /nfs/dbraw/zinc/28/38/21/407283821.db2.gz REQXTXNDDNXTAZ-UHFFFAOYSA-N 1 3 315.461 2.081 20 0 DEADHO C[C@@H](NC1CCN([C@@H](C)c2ccncc2)CC1)[C@H]1CCC[NH2+]1 ZINC000422971488 287013578 /nfs/dbraw/zinc/01/35/78/287013578.db2.gz YKUMRSHLQQWBPJ-RVKKMQEKSA-N 1 3 302.466 2.337 20 0 DEADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)N(C)c1ccccc1 ZINC000422870334 298785671 /nfs/dbraw/zinc/78/56/71/298785671.db2.gz YNUHXCOKFHRXBT-NXWXRZEISA-N 1 3 317.477 2.258 20 0 DEADHO CCN1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)CC)cc2)[C@H](C)C1 ZINC000133161568 196317350 /nfs/dbraw/zinc/31/73/50/196317350.db2.gz ZBHUYKHJUQSBSW-PBHICJAKSA-N 1 3 324.490 2.300 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCC1CC1 ZINC001423136101 1173105214 /nfs/dbraw/zinc/10/52/14/1173105214.db2.gz ZYTDJOLZDCCFOA-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+][C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000291144834 222171938 /nfs/dbraw/zinc/17/19/38/222171938.db2.gz GOGHTYYGXXNIFR-HGTKMLMNSA-N 1 3 319.424 2.249 20 0 DEADHO C[C@H](CNC(=O)c1cccc(CN2CCCCC2)c1)[NH+](C)C ZINC000411373463 227393814 /nfs/dbraw/zinc/39/38/14/227393814.db2.gz IGRDRPQBCPZBDA-OAHLLOKOSA-N 1 3 303.450 2.352 20 0 DEADHO C[C@@]1(O)C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C1 ZINC000417391889 229019193 /nfs/dbraw/zinc/01/91/93/229019193.db2.gz AWPKWXZOMGJDPN-FQBWVUSXSA-N 1 3 300.446 2.400 20 0 DEADHO C[C@@]1(O)C[C@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000417391889 229019196 /nfs/dbraw/zinc/01/91/96/229019196.db2.gz AWPKWXZOMGJDPN-FQBWVUSXSA-N 1 3 300.446 2.400 20 0 DEADHO C[C@@]1(O)C[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000417391889 229019200 /nfs/dbraw/zinc/01/92/00/229019200.db2.gz AWPKWXZOMGJDPN-FQBWVUSXSA-N 1 3 300.446 2.400 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCCCC[NH3+])N(C)C ZINC000418180262 229257415 /nfs/dbraw/zinc/25/74/15/229257415.db2.gz KBDAOAGZCKPHOQ-HOCLYGCPSA-N 1 3 306.454 2.024 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000418192768 229263196 /nfs/dbraw/zinc/26/31/96/229263196.db2.gz MVFFZBANPLGBRE-BFYDXBDKSA-N 1 3 318.465 2.076 20 0 DEADHO C[C@H](NC(=O)N1CCN(CCC(C)(C)C)CC1)[C@H]1CCC[NH2+]C1 ZINC000418343284 229317242 /nfs/dbraw/zinc/31/72/42/229317242.db2.gz NSMUATQIOLKRRQ-HOTGVXAUSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](NC(=O)N1CCN(C2CCCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000418346132 229317968 /nfs/dbraw/zinc/31/79/68/229317968.db2.gz PNFSCKXOBVXZDT-JKSUJKDBSA-N 1 3 322.497 2.034 20 0 DEADHO N[C@@H](CNC(=O)N(CCC[NH3+])CC1CCCC1)c1ccccc1 ZINC000418456509 229355941 /nfs/dbraw/zinc/35/59/41/229355941.db2.gz SXEJJOLRXRKGQS-KRWDZBQOSA-N 1 3 318.465 2.237 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC(C)(C)CC[NH3+])C1 ZINC000422590771 230149718 /nfs/dbraw/zinc/14/97/18/230149718.db2.gz BBLOWCINHIXRJU-GDBMZVCRSA-N 1 3 318.465 2.249 20 0 DEADHO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)NCC2CCCCC2)C[C@H]1CN ZINC000422637859 230162024 /nfs/dbraw/zinc/16/20/24/230162024.db2.gz PMHVSZVRYSQQSJ-HLLBOEOZSA-N 1 3 309.498 2.378 20 0 DEADHO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)NCC2CCCCC2)C[C@H]1CN ZINC000422637859 230162027 /nfs/dbraw/zinc/16/20/27/230162027.db2.gz PMHVSZVRYSQQSJ-HLLBOEOZSA-N 1 3 309.498 2.378 20 0 DEADHO C[C@@H]1C[C@H](C)N(CCC(=O)NCC2CCCCC2)C[C@H]1C[NH3+] ZINC000422637859 230162031 /nfs/dbraw/zinc/16/20/31/230162031.db2.gz PMHVSZVRYSQQSJ-HLLBOEOZSA-N 1 3 309.498 2.378 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCc1nc(C(C)(C)C)cs1 ZINC000422736498 230184486 /nfs/dbraw/zinc/18/44/86/230184486.db2.gz GHCYWOCEQVAOKK-XQQFMLRXSA-N 1 3 311.495 2.325 20 0 DEADHO CO[C@H](CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000422776928 230204203 /nfs/dbraw/zinc/20/42/03/230204203.db2.gz BGJPYUXWVZJGJD-MSQAHXEGSA-N 1 3 312.841 2.369 20 0 DEADHO Fc1cc(F)cc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422849127 230241490 /nfs/dbraw/zinc/24/14/90/230241490.db2.gz UPPBNUMBIDIGBQ-YESZJQIVSA-N 1 3 310.388 2.254 20 0 DEADHO O=C(CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)N1CCCCCC1 ZINC000422849526 230241755 /nfs/dbraw/zinc/24/17/55/230241755.db2.gz UYKQTKZZIKIJKO-BBWFWOEESA-N 1 3 307.482 2.289 20 0 DEADHO NC[C@@H]1CCC[C@H]1[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000422860826 230248681 /nfs/dbraw/zinc/24/86/81/230248681.db2.gz LWEWFWGWBJSHPL-SUMWQHHRSA-N 1 3 319.424 2.147 20 0 DEADHO N[C@@H](CC1CCCCC1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000422870855 230252257 /nfs/dbraw/zinc/25/22/57/230252257.db2.gz CKGAIIIWMOEYPD-KRWDZBQOSA-N 1 3 307.482 2.275 20 0 DEADHO c1ccc2c(c1)CC[C@@H]2CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422913053 230276655 /nfs/dbraw/zinc/27/66/55/230276655.db2.gz XNXHPFAJFWLWAN-XGXHKWSGSA-N 1 3 300.446 2.463 20 0 DEADHO CSC1(CN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])CCOCC1 ZINC000422927484 230279592 /nfs/dbraw/zinc/27/95/92/230279592.db2.gz ZDKYDBYTCAUXHC-HOCLYGCPSA-N 1 3 308.491 2.447 20 0 DEADHO Cc1nccn1C[C@H](C)C[NH2+][C@@H](Cc1ccccc1)[C@H](C)N ZINC000422960720 230295486 /nfs/dbraw/zinc/29/54/86/230295486.db2.gz XNPAITNZJFTRFY-VKJFTORMSA-N 1 3 300.450 2.376 20 0 DEADHO C[C@@H](CCC[NH3+])N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000423025091 230323370 /nfs/dbraw/zinc/32/33/70/230323370.db2.gz NMJMVDPJVCZEHQ-IINYFYTJSA-N 1 3 313.804 2.301 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000423068794 230338091 /nfs/dbraw/zinc/33/80/91/230338091.db2.gz CRYUDLAKFDMMTI-DYVFJYSZSA-N 1 3 317.408 2.242 20 0 DEADHO COCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CCOCC1 ZINC000423133331 230361286 /nfs/dbraw/zinc/36/12/86/230361286.db2.gz QDMVOWMPQXBDGC-IXDOHACOSA-N 1 3 310.482 2.330 20 0 DEADHO C[C@@H](CCN[C@H]1CCCNC(=O)C1)[N@H+](C)Cc1ccccc1 ZINC000379653845 424907789 /nfs/dbraw/zinc/90/77/89/424907789.db2.gz GURVRFRNFQWZAM-RDJZCZTQSA-N 1 3 303.450 2.155 20 0 DEADHO C[C@@H](CCN[C@H]1CCCNC(=O)C1)[N@@H+](C)Cc1ccccc1 ZINC000379653845 424907791 /nfs/dbraw/zinc/90/77/91/424907791.db2.gz GURVRFRNFQWZAM-RDJZCZTQSA-N 1 3 303.450 2.155 20 0 DEADHO CCC[NH+]1CCC(NC[C@@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000648810385 424910789 /nfs/dbraw/zinc/91/07/89/424910789.db2.gz SXBVHYURDDPZOG-QGZVFWFLSA-N 1 3 313.449 2.401 20 0 DEADHO N[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCC1 ZINC000399174876 424922195 /nfs/dbraw/zinc/92/21/95/424922195.db2.gz HINOKKJCOFGJOO-WMZOPIPTSA-N 1 3 315.461 2.142 20 0 DEADHO N[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000399174876 424922199 /nfs/dbraw/zinc/92/21/99/424922199.db2.gz HINOKKJCOFGJOO-WMZOPIPTSA-N 1 3 315.461 2.142 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)CC[N@@H+]1C ZINC000648905834 424926410 /nfs/dbraw/zinc/92/64/10/424926410.db2.gz SCFDDOKKSUKPFH-AHCXZYCDSA-N 1 3 315.461 2.106 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)CC[N@H+]1C ZINC000648905834 424926412 /nfs/dbraw/zinc/92/64/12/424926412.db2.gz SCFDDOKKSUKPFH-AHCXZYCDSA-N 1 3 315.461 2.106 20 0 DEADHO C[C@H](C(=O)N1CCc2ccccc2[C@@H]1C[NH3+])N1CCCCCC1 ZINC000649371440 425002994 /nfs/dbraw/zinc/00/29/94/425002994.db2.gz GBNFMXOZCGNERT-QAPCUYQASA-N 1 3 315.461 2.336 20 0 DEADHO CC1(C)CNCCN1C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000649273280 424981790 /nfs/dbraw/zinc/98/17/90/424981790.db2.gz ADGOQJKDCNQXSM-QGZVFWFLSA-N 1 3 315.461 2.109 20 0 DEADHO CC1(C)CNCCN1C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000649273280 424981794 /nfs/dbraw/zinc/98/17/94/424981794.db2.gz ADGOQJKDCNQXSM-QGZVFWFLSA-N 1 3 315.461 2.109 20 0 DEADHO CC(C)([NH3+])CCC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000649293914 424985425 /nfs/dbraw/zinc/98/54/25/424985425.db2.gz REHJGTRKCWFGCR-INIZCTEOSA-N 1 3 303.450 2.457 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000649363831 425000927 /nfs/dbraw/zinc/00/09/27/425000927.db2.gz PUKAXPGBYODJFN-YESZJQIVSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)N(C)CCN2CCCCC2)CC1 ZINC000650608815 425025082 /nfs/dbraw/zinc/02/50/82/425025082.db2.gz RRPNJCWUYBLBAD-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO COc1cc(C)nc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650707924 425039121 /nfs/dbraw/zinc/03/91/21/425039121.db2.gz QCIXISBENWNUQS-HDMKZQKVSA-N 1 3 319.449 2.117 20 0 DEADHO CCOc1cccc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)n1 ZINC000650707688 425039813 /nfs/dbraw/zinc/03/98/13/425039813.db2.gz KUOVAKOBDVIMOQ-ZOBUZTSGSA-N 1 3 319.449 2.199 20 0 DEADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2cccc3c2OCO3)C1 ZINC000650722498 425042025 /nfs/dbraw/zinc/04/20/25/425042025.db2.gz VVHOMSIECPMAPR-INMHGKMJSA-N 1 3 318.417 2.276 20 0 DEADHO C[NH2+]Cc1ccccc1CNCc1cn(C)nc1-c1cccnc1 ZINC000650718364 425042353 /nfs/dbraw/zinc/04/23/53/425042353.db2.gz IMMNKKOQMHUFTI-UHFFFAOYSA-N 1 3 321.428 2.491 20 0 DEADHO CCC[NH+]1CCC(CNCc2cnnn2-c2ccccc2)CC1 ZINC000651705177 425144047 /nfs/dbraw/zinc/14/40/47/425144047.db2.gz KBUDLKNKVWFENI-UHFFFAOYSA-N 1 3 313.449 2.479 20 0 DEADHO Cc1ncccc1NC(=O)[C@H](C)N[C@H](C)C1CC[NH+](C)CC1 ZINC000651496472 425137546 /nfs/dbraw/zinc/13/75/46/425137546.db2.gz JBZCKTSEEVEGEM-OCCSQVGLSA-N 1 3 304.438 2.037 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(C(=O)NC2CC2)cc1 ZINC000666743656 425171923 /nfs/dbraw/zinc/17/19/23/425171923.db2.gz LOFOOQXNLZEQIV-DOTOQJQBSA-N 1 3 301.434 2.186 20 0 DEADHO C[C@H]1CN(Cc2nc3c(s2)CNCC3)c2ccccc2C[NH2+]1 ZINC000663497435 425173141 /nfs/dbraw/zinc/17/31/41/425173141.db2.gz OJZDMPNBJJJNIR-LBPRGKRZSA-N 1 3 314.458 2.287 20 0 DEADHO CC[C@@H](NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC)C1CC1 ZINC000666685384 425161589 /nfs/dbraw/zinc/16/15/89/425161589.db2.gz FBTKYIITKCDFKI-DLBZAZTESA-N 1 3 324.513 2.233 20 0 DEADHO CC[C@@H](NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC)C1CC1 ZINC000666685384 425161593 /nfs/dbraw/zinc/16/15/93/425161593.db2.gz FBTKYIITKCDFKI-DLBZAZTESA-N 1 3 324.513 2.233 20 0 DEADHO CCN1C[C@H](C[NH2+]C2CCN([C@@H]3CCCC[C@H]3C)CC2)CC1=O ZINC000652015771 425162854 /nfs/dbraw/zinc/16/28/54/425162854.db2.gz LJSGBZCVEKBBBP-SOLBZPMBSA-N 1 3 321.509 2.488 20 0 DEADHO CCN1C[C@H](CNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CC1=O ZINC000652015771 425162859 /nfs/dbraw/zinc/16/28/59/425162859.db2.gz LJSGBZCVEKBBBP-SOLBZPMBSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)c1ccnc(N2CCN(C[C@H]3CC[NH2+][C@H](C)C3)CC2)n1 ZINC000666699836 425164384 /nfs/dbraw/zinc/16/43/84/425164384.db2.gz YHXINJQCRUZVQN-CVEARBPZSA-N 1 3 317.481 2.110 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)NCCC1CC[NH2+]CC1 ZINC000652321865 425239941 /nfs/dbraw/zinc/23/99/41/425239941.db2.gz SXOMPVFLULMEID-UHFFFAOYSA-N 1 3 324.513 2.284 20 0 DEADHO C[C@H]1CN(CCCC[NH2+]Cc2c(C3CC3)cnn2C)C[C@H](C)O1 ZINC000657366462 425317468 /nfs/dbraw/zinc/31/74/68/425317468.db2.gz HEGBKWLKWMCPSI-GJZGRUSLSA-N 1 3 320.481 2.277 20 0 DEADHO COCc1csc(CNCCN2CCC([NH+](C)C)CC2)c1 ZINC000657386291 425322582 /nfs/dbraw/zinc/32/25/82/425322582.db2.gz CVDJZVWRQJIUDT-UHFFFAOYSA-N 1 3 311.495 2.010 20 0 DEADHO CCO[C@@H](CC[NH+](C)C)CNCc1c(C2CCC2)cnn1C ZINC000657390078 425322618 /nfs/dbraw/zinc/32/26/18/425322618.db2.gz SGAJMPOVDJPZQQ-HNNXBMFYSA-N 1 3 308.470 2.134 20 0 DEADHO C[NH+](C)C1(CNC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCCC1 ZINC000654349924 425330366 /nfs/dbraw/zinc/33/03/66/425330366.db2.gz SMWILJGMZSWSRB-CVEARBPZSA-N 1 3 322.497 2.177 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000654380283 425337581 /nfs/dbraw/zinc/33/75/81/425337581.db2.gz CDBGLETWGXFWCC-CVEARBPZSA-N 1 3 322.497 2.129 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000654380283 425337583 /nfs/dbraw/zinc/33/75/83/425337583.db2.gz CDBGLETWGXFWCC-CVEARBPZSA-N 1 3 322.497 2.129 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000654380284 425337701 /nfs/dbraw/zinc/33/77/01/425337701.db2.gz CDBGLETWGXFWCC-HOTGVXAUSA-N 1 3 322.497 2.129 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000654380284 425337705 /nfs/dbraw/zinc/33/77/05/425337705.db2.gz CDBGLETWGXFWCC-HOTGVXAUSA-N 1 3 322.497 2.129 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000654380286 425338314 /nfs/dbraw/zinc/33/83/14/425338314.db2.gz CDBGLETWGXFWCC-JKSUJKDBSA-N 1 3 322.497 2.129 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000654380286 425338322 /nfs/dbraw/zinc/33/83/22/425338322.db2.gz CDBGLETWGXFWCC-JKSUJKDBSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H](CNCc1ccnn1-c1ccncc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000657310907 425299967 /nfs/dbraw/zinc/29/99/67/425299967.db2.gz RNQRYKCXCCFKJS-HZPDHXFCSA-N 1 3 313.449 2.477 20 0 DEADHO C[C@H](CNCc1ccnn1-c1ccncc1)[N@H+]1CCC[C@@H](C)C1 ZINC000657310907 425299970 /nfs/dbraw/zinc/29/99/70/425299970.db2.gz RNQRYKCXCCFKJS-HZPDHXFCSA-N 1 3 313.449 2.477 20 0 DEADHO C[C@H](C[NH2+]Cc1ccnn1-c1ccncc1)N1CCC[C@@H](C)C1 ZINC000657310907 425299973 /nfs/dbraw/zinc/29/99/73/425299973.db2.gz RNQRYKCXCCFKJS-HZPDHXFCSA-N 1 3 313.449 2.477 20 0 DEADHO CCN1CC[C@@H](C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000657315057 425302545 /nfs/dbraw/zinc/30/25/45/425302545.db2.gz HAKTZVAGVTYTMP-WMZOPIPTSA-N 1 3 304.434 2.286 20 0 DEADHO CC[C@@H]1C[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CO1 ZINC000657497076 425351282 /nfs/dbraw/zinc/35/12/82/425351282.db2.gz UFRMOBRRVIEKQU-ZWKOTPCHSA-N 1 3 318.461 2.171 20 0 DEADHO CN(C)CCC[N@H+](C)CCNc1ncncc1-c1ccccc1 ZINC000664248238 425345492 /nfs/dbraw/zinc/34/54/92/425345492.db2.gz QNRNFQHYRUYKGO-UHFFFAOYSA-N 1 3 313.449 2.439 20 0 DEADHO CN(C)CCC[N@@H+](C)CCNc1ncncc1-c1ccccc1 ZINC000664248238 425345497 /nfs/dbraw/zinc/34/54/97/425345497.db2.gz QNRNFQHYRUYKGO-UHFFFAOYSA-N 1 3 313.449 2.439 20 0 DEADHO CC[NH+]1CCC(CNC(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000654419224 425347525 /nfs/dbraw/zinc/34/75/25/425347525.db2.gz NHUQQFMURBNIFZ-DLBZAZTESA-N 1 3 322.497 2.034 20 0 DEADHO CCN(C(=O)NCCC[NH+](C(C)C)C(C)C)[C@H]1CCN(C)C1 ZINC000664285652 425352608 /nfs/dbraw/zinc/35/26/08/425352608.db2.gz JDFMTQNWLJIHAI-INIZCTEOSA-N 1 3 312.502 2.231 20 0 DEADHO CCc1nocc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657537261 425359067 /nfs/dbraw/zinc/35/90/67/425359067.db2.gz FSCIRJQUFOUJSU-UHFFFAOYSA-N 1 3 307.438 2.218 20 0 DEADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000653106174 425405617 /nfs/dbraw/zinc/40/56/17/425405617.db2.gz WLRXQNLCTBNDSI-CABCVRRESA-N 1 3 321.490 2.391 20 0 DEADHO Cc1nn(C)cc1[C@H](C)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000658067330 425432788 /nfs/dbraw/zinc/43/27/88/425432788.db2.gz MJZMVKSZRJQTPB-AWEZNQCLSA-N 1 3 320.481 2.270 20 0 DEADHO C[C@H]([NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1)[C@]1(C)CCCO1 ZINC000658134306 425442677 /nfs/dbraw/zinc/44/26/77/425442677.db2.gz ACTYJUPQRGTCEG-IPELMVKDSA-N 1 3 318.461 2.300 20 0 DEADHO COC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1CC1 ZINC000658167309 425450185 /nfs/dbraw/zinc/45/01/85/425450185.db2.gz RLZVNEAQYLGUEG-SFHVURJKSA-N 1 3 303.450 2.308 20 0 DEADHO CC1(C)C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CO1 ZINC000658162512 425451133 /nfs/dbraw/zinc/45/11/33/425451133.db2.gz DTOINCHJERFIGO-QGZVFWFLSA-N 1 3 303.450 2.451 20 0 DEADHO C1C[C@H](N2CCC([NH2+][C@@H]3CCN(C4CCCCC4)C3)CC2)CO1 ZINC000658229777 425458152 /nfs/dbraw/zinc/45/81/52/425458152.db2.gz HBLVSYDXMJLTTI-MJGOQNOKSA-N 1 3 321.509 2.236 20 0 DEADHO C1C[C@@H](N2CCC([NH2+][C@H]3CCN(C4CCCCC4)C3)CC2)CO1 ZINC000658229778 425458345 /nfs/dbraw/zinc/45/83/45/425458345.db2.gz HBLVSYDXMJLTTI-PKOBYXMFSA-N 1 3 321.509 2.236 20 0 DEADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C[C@@H]3CC(=O)N(C)C3)CC2)C1 ZINC000658244749 425460672 /nfs/dbraw/zinc/46/06/72/425460672.db2.gz UEDFNVNOKKPXNI-HLLBOEOZSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@H]([NH3+])CCNC(=O)Nc1ccccc1CCN(C)C ZINC000659010106 425519238 /nfs/dbraw/zinc/51/92/38/425519238.db2.gz HQCOHQYPSFYJFY-OAHLLOKOSA-N 1 3 306.454 2.286 20 0 DEADHO C[C@@H](NCC1CC[NH+](C2CCOCC2)CC1)c1cnccc1N ZINC000665233426 425523292 /nfs/dbraw/zinc/52/32/92/425523292.db2.gz HPUOCNHGEXOLCO-CQSZACIVSA-N 1 3 318.465 2.036 20 0 DEADHO C[C@H]1C[C@@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CN1C1CC1 ZINC000665257424 425530877 /nfs/dbraw/zinc/53/08/77/425530877.db2.gz IVVZMHDDDMONCQ-UONJOCPKSA-N 1 3 317.452 2.486 20 0 DEADHO CCCN1CC[C@H](N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000665274180 425533881 /nfs/dbraw/zinc/53/38/81/425533881.db2.gz LLQYZXIHNNZOCV-IEZWGBDMSA-N 1 3 315.461 2.316 20 0 DEADHO CN(CCC(=O)N[C@H]1CCCN2CCCC[C@H]12)c1cc[nH+]cc1 ZINC000655352686 425543224 /nfs/dbraw/zinc/54/32/24/425543224.db2.gz OCVBSOMLLHBDGN-DLBZAZTESA-N 1 3 316.449 2.041 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H](C3CCC3)C2)CC1 ZINC000662042868 425552954 /nfs/dbraw/zinc/55/29/54/425552954.db2.gz GBLTXUUURJWDNJ-KRWDZBQOSA-N 1 3 321.509 2.488 20 0 DEADHO O=C(C[C@@H]1[NH2+]Cc2ccccc21)Nc1ccc2c(c1)CNCCO2 ZINC000659313833 425575602 /nfs/dbraw/zinc/57/56/02/425575602.db2.gz RBPRPJKDJHDHTJ-KRWDZBQOSA-N 1 3 323.396 2.342 20 0 DEADHO COCC[C@H](c1ccccc1)[NH+]1CCC(N2CC[C@@H](O)C2)CC1 ZINC000662153003 425577565 /nfs/dbraw/zinc/57/75/65/425577565.db2.gz LVBLVUMMDYFYBP-RTBURBONSA-N 1 3 318.461 2.295 20 0 DEADHO CN(C)CCN(C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)C1CCCC1 ZINC000665556014 425595550 /nfs/dbraw/zinc/59/55/50/425595550.db2.gz PILVDEPGROHRGG-HNNXBMFYSA-N 1 3 324.513 2.375 20 0 DEADHO CN(C)CCN(C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)C1CCCC1 ZINC000665556014 425595554 /nfs/dbraw/zinc/59/55/54/425595554.db2.gz PILVDEPGROHRGG-HNNXBMFYSA-N 1 3 324.513 2.375 20 0 DEADHO COCCN(C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H](C)c1ccccc1 ZINC000662251563 425601592 /nfs/dbraw/zinc/60/15/92/425601592.db2.gz GXXHWOYVXGYZCL-WBVHZDCISA-N 1 3 304.434 2.217 20 0 DEADHO Fc1ccc(C[C@H]2CCC[N@@H+]2C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662251718 425602952 /nfs/dbraw/zinc/60/29/52/425602952.db2.gz DURRUOKPKXIPGB-SJORKVTESA-N 1 3 304.409 2.354 20 0 DEADHO Fc1ccc(C[C@H]2CCC[N@H+]2C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662251718 425602956 /nfs/dbraw/zinc/60/29/56/425602956.db2.gz DURRUOKPKXIPGB-SJORKVTESA-N 1 3 304.409 2.354 20 0 DEADHO c1cc([C@H]2CCCN2C[C@@H]2CCC3(C[NH2+]C3)O2)cc2c1OCO2 ZINC000662255835 425604268 /nfs/dbraw/zinc/60/42/68/425604268.db2.gz FBHAGJVPNSWWSJ-LSDHHAIUSA-N 1 3 316.401 2.073 20 0 DEADHO COc1ccc([C@H]2CC[N@H+](C[C@@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662256089 425604636 /nfs/dbraw/zinc/60/46/36/425604636.db2.gz FVZVIDBVPQZOKT-RDJZCZTQSA-N 1 3 302.418 2.006 20 0 DEADHO COc1ccc([C@H]2CC[N@@H+](C[C@@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662256089 425604638 /nfs/dbraw/zinc/60/46/38/425604638.db2.gz FVZVIDBVPQZOKT-RDJZCZTQSA-N 1 3 302.418 2.006 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)NCC2([NH3+])CCCC2)N(C)C)cc1 ZINC000659445911 425605367 /nfs/dbraw/zinc/60/53/67/425605367.db2.gz JRBWTARMOKEUPJ-MRXNPFEDSA-N 1 3 318.465 2.168 20 0 DEADHO COC[C@H](C[N@@H+]1CCCC[C@@H]1[C@@H](CN)Cc1ccccc1)OC ZINC000662271058 425608388 /nfs/dbraw/zinc/60/83/88/425608388.db2.gz QEURHGQYBKXQMX-CEXWTWQISA-N 1 3 320.477 2.320 20 0 DEADHO COC[C@H](C[N@H+]1CCCC[C@@H]1[C@@H](CN)Cc1ccccc1)OC ZINC000662271058 425608391 /nfs/dbraw/zinc/60/83/91/425608391.db2.gz QEURHGQYBKXQMX-CEXWTWQISA-N 1 3 320.477 2.320 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(C(=O)c2cccc3c2CNC3)CC1 ZINC000662401505 425643194 /nfs/dbraw/zinc/64/31/94/425643194.db2.gz PBIBTZQBNKOJGW-UHFFFAOYSA-N 1 3 315.461 2.482 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(C(=O)c2cccc3c2CNC3)CC1 ZINC000662401505 425643196 /nfs/dbraw/zinc/64/31/96/425643196.db2.gz PBIBTZQBNKOJGW-UHFFFAOYSA-N 1 3 315.461 2.482 20 0 DEADHO C[N@H+](CCNC(=O)c1cccc2c1CNC2)C1CCCCC1 ZINC000662414608 425644546 /nfs/dbraw/zinc/64/45/46/425644546.db2.gz BQOWYOVPKRDXAB-UHFFFAOYSA-N 1 3 301.434 2.284 20 0 DEADHO C[N@@H+](CCNC(=O)c1cccc2c1CNC2)C1CCCCC1 ZINC000662414608 425644549 /nfs/dbraw/zinc/64/45/49/425644549.db2.gz BQOWYOVPKRDXAB-UHFFFAOYSA-N 1 3 301.434 2.284 20 0 DEADHO C[NH+](C)Cc1ccc(NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000655745323 425645143 /nfs/dbraw/zinc/64/51/43/425645143.db2.gz LRWCTVSCUDPUBQ-SFHVURJKSA-N 1 3 303.450 2.413 20 0 DEADHO C([C@@H]1CCCO1)N1CCC([NH2+]C2CC(N3CCCCC3)C2)CC1 ZINC000655765031 425648428 /nfs/dbraw/zinc/64/84/28/425648428.db2.gz XGRUDONZSWXEOQ-ACBHZAAOSA-N 1 3 321.509 2.236 20 0 DEADHO CC[C@@H]([NH2+]C)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000662436421 425649734 /nfs/dbraw/zinc/64/97/34/425649734.db2.gz BHSWGRGTIHFIFB-GOSISDBHSA-N 1 3 317.477 2.152 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CCN1C ZINC000662476037 425660763 /nfs/dbraw/zinc/66/07/63/425660763.db2.gz POCZOMYVVVHTAU-XOKHGSTOSA-N 1 3 315.461 2.278 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000662492472 425665327 /nfs/dbraw/zinc/66/53/27/425665327.db2.gz LLJGFRXIRSPXGZ-PVAVHDDUSA-N 1 3 303.450 2.154 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000662504355 425669331 /nfs/dbraw/zinc/66/93/31/425669331.db2.gz FBLWYIQFRZSUBR-HNNXBMFYSA-N 1 3 311.857 2.228 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000662519108 425672954 /nfs/dbraw/zinc/67/29/54/425672954.db2.gz XQCQGKMQZHSJDI-QAPCUYQASA-N 1 3 313.445 2.069 20 0 DEADHO CC(C)[N@H+](C)CC1CCN([C@@H]2C[C@H]3CCCC[C@H]3NC2=O)CC1 ZINC000659877103 425678272 /nfs/dbraw/zinc/67/82/72/425678272.db2.gz PTEFMPCKQNSDHN-KZNAEPCWSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN([C@@H]2C[C@H]3CCCC[C@H]3NC2=O)CC1 ZINC000659877103 425678276 /nfs/dbraw/zinc/67/82/76/425678276.db2.gz PTEFMPCKQNSDHN-KZNAEPCWSA-N 1 3 321.509 2.486 20 0 DEADHO C[C@H](NC(=O)N(C)CC(C)(C)[NH3+])[C@@H](c1ccccc1)N(C)C ZINC000659492417 425615314 /nfs/dbraw/zinc/61/53/14/425615314.db2.gz NETRIYBDNYNLFC-ZFWWWQNUSA-N 1 3 306.454 2.057 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662335525 425627142 /nfs/dbraw/zinc/62/71/42/425627142.db2.gz MVWYODBDUJAHDW-HNNXBMFYSA-N 1 3 305.470 2.045 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662335525 425627146 /nfs/dbraw/zinc/62/71/46/425627146.db2.gz MVWYODBDUJAHDW-HNNXBMFYSA-N 1 3 305.470 2.045 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000659877963 425678729 /nfs/dbraw/zinc/67/87/29/425678729.db2.gz VXXMSROUAQJDEQ-CALCHBBNSA-N 1 3 311.514 2.148 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000659877963 425678732 /nfs/dbraw/zinc/67/87/32/425678732.db2.gz VXXMSROUAQJDEQ-CALCHBBNSA-N 1 3 311.514 2.148 20 0 DEADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)C[C@@H]1NCc2ccccc21 ZINC000662384592 425638368 /nfs/dbraw/zinc/63/83/68/425638368.db2.gz YONDOFNCOOQABO-YOEHRIQHSA-N 1 3 301.434 2.212 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC(C)(C)C[C@H]1C ZINC000665763451 425641176 /nfs/dbraw/zinc/64/11/76/425641176.db2.gz AZSKPPGLXNDLAQ-LSDHHAIUSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(C)(C)C[C@H]1C ZINC000665763451 425641180 /nfs/dbraw/zinc/64/11/80/425641180.db2.gz AZSKPPGLXNDLAQ-LSDHHAIUSA-N 1 3 312.502 2.088 20 0 DEADHO CC[C@H]1C[C@@H](C)CN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665759416 425641395 /nfs/dbraw/zinc/64/13/95/425641395.db2.gz FZZBAWHNNZWSBO-PMPSAXMXSA-N 1 3 312.502 2.088 20 0 DEADHO CC[C@H]1C[C@@H](C)CN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665759416 425641397 /nfs/dbraw/zinc/64/13/97/425641397.db2.gz FZZBAWHNNZWSBO-PMPSAXMXSA-N 1 3 312.502 2.088 20 0 DEADHO C[NH2+]CCc1ccccc1C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000662835051 425743357 /nfs/dbraw/zinc/74/33/57/425743357.db2.gz KGVAXXULHVQXDC-ZWKOTPCHSA-N 1 3 315.461 2.195 20 0 DEADHO [NH3+]CCCN(CC1CCCC1)C(=O)c1cc2c(s1)CCNC2 ZINC000662563605 425682664 /nfs/dbraw/zinc/68/26/64/425682664.db2.gz PWGABBXJQPHJIJ-UHFFFAOYSA-N 1 3 321.490 2.375 20 0 DEADHO [NH3+]C[C@@H]1CN(CCc2noc3ccccc32)CC12CCOCC2 ZINC000655941693 425691523 /nfs/dbraw/zinc/69/15/23/425691523.db2.gz ZMBYGUZPWZKLLY-CQSZACIVSA-N 1 3 315.417 2.058 20 0 DEADHO O[C@@H](CN[C@H]1CCc2cccc(Cl)c2C1)C[NH+]1CCCC1 ZINC000666084875 425697644 /nfs/dbraw/zinc/69/76/44/425697644.db2.gz ONYBSTORIBCBTM-GJZGRUSLSA-N 1 3 308.853 2.244 20 0 DEADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1cc2c(s1)CC[NH2+]C2 ZINC000662836450 425744157 /nfs/dbraw/zinc/74/41/57/425744157.db2.gz ZPGDVHRWNCHZES-ZIAGYGMSSA-N 1 3 319.474 2.141 20 0 DEADHO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2c(s1)CCNC2 ZINC000662836450 425744162 /nfs/dbraw/zinc/74/41/62/425744162.db2.gz ZPGDVHRWNCHZES-ZIAGYGMSSA-N 1 3 319.474 2.141 20 0 DEADHO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc2c(s1)CCNC2 ZINC000662836450 425744164 /nfs/dbraw/zinc/74/41/64/425744164.db2.gz ZPGDVHRWNCHZES-ZIAGYGMSSA-N 1 3 319.474 2.141 20 0 DEADHO CC(C)C[C@@H](CNC(=O)c1cc2c(s1)CCNC2)[NH+](C)C ZINC000662673499 425709125 /nfs/dbraw/zinc/70/91/25/425709125.db2.gz LXLHIJTYVAAQGS-ZDUSSCGKSA-N 1 3 309.479 2.100 20 0 DEADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662696390 425715730 /nfs/dbraw/zinc/71/57/30/425715730.db2.gz ZARRLNZMXIGLDL-AWEZNQCLSA-N 1 3 307.482 2.275 20 0 DEADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662696390 425715733 /nfs/dbraw/zinc/71/57/33/425715733.db2.gz ZARRLNZMXIGLDL-AWEZNQCLSA-N 1 3 307.482 2.275 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cccc2c1CCNC2 ZINC000662696309 425715884 /nfs/dbraw/zinc/71/58/84/425715884.db2.gz WXPUYRLGYOMSGF-GJZGRUSLSA-N 1 3 315.461 2.183 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cccc2c1CCNC2 ZINC000662696309 425715887 /nfs/dbraw/zinc/71/58/87/425715887.db2.gz WXPUYRLGYOMSGF-GJZGRUSLSA-N 1 3 315.461 2.183 20 0 DEADHO C[C@H]1C[C@@H](N(C)C(=O)CC2([NH3+])CC2)CCN1Cc1ccccc1 ZINC000662727385 425723265 /nfs/dbraw/zinc/72/32/65/425723265.db2.gz WOCCNBABIKJGOI-RDJZCZTQSA-N 1 3 315.461 2.379 20 0 DEADHO CN1CCCN(CCC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000666259015 425726346 /nfs/dbraw/zinc/72/63/46/425726346.db2.gz GAHJVQALQKZHLI-OALUTQOASA-N 1 3 301.478 2.407 20 0 DEADHO CC(C)C[C@H](C[NH3+])CC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000662776042 425732173 /nfs/dbraw/zinc/73/21/73/425732173.db2.gz GZWMVQKMHFUPIA-LBPRGKRZSA-N 1 3 307.413 2.421 20 0 DEADHO [NH3+]CC1(CC(=O)N[C@H]2CCCN3CCCC[C@H]23)CCCCC1 ZINC000662840013 425746247 /nfs/dbraw/zinc/74/62/47/425746247.db2.gz WOFMPFKVMXXWLT-JKSUJKDBSA-N 1 3 307.482 2.419 20 0 DEADHO CC1(C)CCCN[C@H]1C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662878138 425754826 /nfs/dbraw/zinc/75/48/26/425754826.db2.gz OJHGQVNLLGBFFQ-HOCLYGCPSA-N 1 3 307.482 2.288 20 0 DEADHO CC1(C)CCCN[C@H]1C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662878138 425754828 /nfs/dbraw/zinc/75/48/28/425754828.db2.gz OJHGQVNLLGBFFQ-HOCLYGCPSA-N 1 3 307.482 2.288 20 0 DEADHO CC(C)N(C)C[C@H](O)C[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000660195668 425764100 /nfs/dbraw/zinc/76/41/00/425764100.db2.gz AQJYJYTXRIJMQP-CRAIPNDOSA-N 1 3 316.449 2.224 20 0 DEADHO C[C@H](CNCCC(=O)N(C)c1ccccc1)C[NH+]1CCCC1 ZINC000663357892 425831651 /nfs/dbraw/zinc/83/16/51/425831651.db2.gz YRBVJEUMSIREGA-MRXNPFEDSA-N 1 3 303.450 2.361 20 0 DEADHO C[C@H](C[NH2+]CCC(=O)N(C)c1ccccc1)CN1CCCC1 ZINC000663357892 425831653 /nfs/dbraw/zinc/83/16/53/425831653.db2.gz YRBVJEUMSIREGA-MRXNPFEDSA-N 1 3 303.450 2.361 20 0 DEADHO CCN(C(=O)NC[C@@H](c1ccccc1)N(C)C)[C@H]1CC[N@H+](C)C1 ZINC000663417704 425837753 /nfs/dbraw/zinc/83/77/53/425837753.db2.gz XNKBRQHJSYORRZ-IRXDYDNUSA-N 1 3 318.465 2.025 20 0 DEADHO CCN(C(=O)NC[C@@H](c1ccccc1)N(C)C)[C@H]1CC[N@@H+](C)C1 ZINC000663417704 425837754 /nfs/dbraw/zinc/83/77/54/425837754.db2.gz XNKBRQHJSYORRZ-IRXDYDNUSA-N 1 3 318.465 2.025 20 0 DEADHO CN1CC=C(C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000392198087 269099689 /nfs/dbraw/zinc/09/96/89/269099689.db2.gz FXFDGQRREAQFLO-UHFFFAOYSA-N 1 3 323.481 2.485 20 0 DEADHO OC1(C[NH2+]Cc2cccnc2)CCN(Cc2ccccc2)CC1 ZINC000397502369 269106628 /nfs/dbraw/zinc/10/66/28/269106628.db2.gz GAWIJNHFRYBHHZ-UHFFFAOYSA-N 1 3 311.429 2.198 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000398135709 269108158 /nfs/dbraw/zinc/10/81/58/269108158.db2.gz KYRYFLFIORZZJJ-AYBZRNKSSA-N 1 3 315.461 2.013 20 0 DEADHO [NH3+][C@H](C(=O)NC[C@H]1CCCCN1Cc1ccccc1)C1CCC1 ZINC000398989431 269110432 /nfs/dbraw/zinc/11/04/32/269110432.db2.gz KFVWVMLOBNQRQC-MSOLQXFVSA-N 1 3 315.461 2.285 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000405323812 269113234 /nfs/dbraw/zinc/11/32/34/269113234.db2.gz BFTOTGUYRRMJIL-BZZMCLGOSA-N 1 3 315.461 2.141 20 0 DEADHO CO[C@@H]1CCC[C@H]1N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423148642 269115986 /nfs/dbraw/zinc/11/59/86/269115986.db2.gz GIJDVFXDKRHMSI-CYGHRXIMSA-N 1 3 302.418 2.399 20 0 DEADHO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1CC[C@@H]1CCCN1C ZINC000495636733 269162504 /nfs/dbraw/zinc/16/25/04/269162504.db2.gz BZRPZCUQWUWEIT-JKSUJKDBSA-N 1 3 311.470 2.461 20 0 DEADHO CCCNC(=O)OC[C@H]1CCCC[N@H+]1CC[C@@H]1CCCN1C ZINC000495636733 269162505 /nfs/dbraw/zinc/16/25/05/269162505.db2.gz BZRPZCUQWUWEIT-JKSUJKDBSA-N 1 3 311.470 2.461 20 0 DEADHO COC(=O)Nc1ccc(CC[NH2+][C@@H]2CCNCC[C@H]2C)cc1 ZINC000496976374 269272896 /nfs/dbraw/zinc/27/28/96/269272896.db2.gz GKWYNDAHISQFPG-CZUORRHYSA-N 1 3 305.422 2.385 20 0 DEADHO COC(=O)Nc1ccc(CCN[C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000496976374 269272897 /nfs/dbraw/zinc/27/28/97/269272897.db2.gz GKWYNDAHISQFPG-CZUORRHYSA-N 1 3 305.422 2.385 20 0 DEADHO CNCCC[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000497126585 269289055 /nfs/dbraw/zinc/28/90/55/269289055.db2.gz HSWXNAWHGMXOFS-HNNXBMFYSA-N 1 3 305.422 2.239 20 0 DEADHO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CNCc2ccccc21 ZINC000514725099 269329344 /nfs/dbraw/zinc/32/93/44/269329344.db2.gz MYCLXHSNDWQVEK-QAPCUYQASA-N 1 3 313.445 2.007 20 0 DEADHO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CNCc2ccccc21 ZINC000514725099 269329346 /nfs/dbraw/zinc/32/93/46/269329346.db2.gz MYCLXHSNDWQVEK-QAPCUYQASA-N 1 3 313.445 2.007 20 0 DEADHO CC[NH2+]CCCNC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000516425203 269362835 /nfs/dbraw/zinc/36/28/35/269362835.db2.gz ZPYPGECENRWYLX-UHFFFAOYSA-N 1 3 322.453 2.057 20 0 DEADHO O[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297691367 275055186 /nfs/dbraw/zinc/05/51/86/275055186.db2.gz PWQYVEYVXNZDOE-MOPGFXCFSA-N 1 3 309.413 2.298 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000418361290 275748782 /nfs/dbraw/zinc/74/87/82/275748782.db2.gz UCVVRMLJUZQQMB-RRQGHBQHSA-N 1 3 318.465 2.189 20 0 DEADHO CC(C)[C@@H]1C[C@@H](NC[C@@H](O)C[NH+]2CCC(C)CC2)CS1 ZINC000488422981 276000532 /nfs/dbraw/zinc/00/05/32/276000532.db2.gz AMZJTIUUBBXCAV-OAGGEKHMSA-N 1 3 300.512 2.199 20 0 DEADHO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)CS1 ZINC000364331803 276002520 /nfs/dbraw/zinc/00/25/20/276002520.db2.gz LVMBVYSGRDWUBI-VYDXJSESSA-N 1 3 311.539 2.275 20 0 DEADHO CCN(CCNC(=O)C[C@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC000431800172 276125379 /nfs/dbraw/zinc/12/53/79/276125379.db2.gz KSSJGJRNILAXDK-QGZVFWFLSA-N 1 3 303.450 2.280 20 0 DEADHO CC1CCC(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000353270049 276188928 /nfs/dbraw/zinc/18/89/28/276188928.db2.gz WGHFCROMEZYWQA-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO CCCC[N@H+](C)CCNC(=O)N(CCN(C)C)C1CCCC1 ZINC000344382162 276229562 /nfs/dbraw/zinc/22/95/62/276229562.db2.gz AOUZIWYMPRJFSN-UHFFFAOYSA-N 1 3 312.502 2.234 20 0 DEADHO CCCC[N@@H+](C)CCNC(=O)N(CCN(C)C)C1CCCC1 ZINC000344382162 276229563 /nfs/dbraw/zinc/22/95/63/276229563.db2.gz AOUZIWYMPRJFSN-UHFFFAOYSA-N 1 3 312.502 2.234 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000177671585 277385419 /nfs/dbraw/zinc/38/54/19/277385419.db2.gz MQVQOQBPGIMUPE-ZBFHGGJFSA-N 1 3 322.497 2.031 20 0 DEADHO CC(C)O[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)C1(C)C ZINC000368155222 277692567 /nfs/dbraw/zinc/69/25/67/277692567.db2.gz YKFUUSWKNQWKAX-CGTJXYLNSA-N 1 3 323.525 2.337 20 0 DEADHO C[C@@H]1CCN[C@H](C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000423443640 277765774 /nfs/dbraw/zinc/76/57/74/277765774.db2.gz QNQOISYXCRLHQR-PBHICJAKSA-N 1 3 307.482 2.288 20 0 DEADHO COc1ccccc1CN1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000367686150 278048902 /nfs/dbraw/zinc/04/89/02/278048902.db2.gz LLAGFCZMCWVNEY-UHFFFAOYSA-N 1 3 317.477 2.155 20 0 DEADHO C[C@H](CNC(=O)c1ccc2c(c1)CNC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000347521819 278207251 /nfs/dbraw/zinc/20/72/51/278207251.db2.gz KEDYHTDZECZOGK-ZIAGYGMSSA-N 1 3 301.434 2.140 20 0 DEADHO C[C@H](CNC(=O)c1ccc2c(c1)CNC2)[N@H+]1CCC[C@@H](C)C1 ZINC000347521819 278207253 /nfs/dbraw/zinc/20/72/53/278207253.db2.gz KEDYHTDZECZOGK-ZIAGYGMSSA-N 1 3 301.434 2.140 20 0 DEADHO CC(C)C1CCC(N2CCN(C(=O)NCC(C)(C)[NH3+])CC2)CC1 ZINC000418431267 278709300 /nfs/dbraw/zinc/70/93/00/278709300.db2.gz QSCJQXFEGFJEMU-UHFFFAOYSA-N 1 3 324.513 2.266 20 0 DEADHO CC(C)C[C@@H]([NH3+])C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000353756158 278994626 /nfs/dbraw/zinc/99/46/26/278994626.db2.gz UTEZNHCJQRWOOC-RHSMWYFYSA-N 1 3 318.465 2.097 20 0 DEADHO CCN(CC)C(=O)c1ccc(CN[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422802724 279083829 /nfs/dbraw/zinc/08/38/29/279083829.db2.gz BVFGBDPMDBTDAQ-IRXDYDNUSA-N 1 3 303.450 2.386 20 0 DEADHO C[C@@H]1[C@H](C)NCCN1C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000277455381 279104514 /nfs/dbraw/zinc/10/45/14/279104514.db2.gz HGDJETFHNYIKJT-JKSUJKDBSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@H](C(=O)N1CCC(C)CC1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420332593 279188186 /nfs/dbraw/zinc/18/81/86/279188186.db2.gz DHQKYIJKDQJNBD-NVXWUHKLSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](C(=O)N1CCc2ccccc2C1)N1CCC[C@H](CC[NH3+])C1 ZINC000420311562 279206197 /nfs/dbraw/zinc/20/61/97/279206197.db2.gz NOQIHQSCNNMODW-HZPDHXFCSA-N 1 3 315.461 2.021 20 0 DEADHO C[C@H](C(=O)NC1CCCC1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000377396700 279221168 /nfs/dbraw/zinc/22/11/68/279221168.db2.gz DAAQUECOWDBJGN-OAHLLOKOSA-N 1 3 307.482 2.242 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000339463623 279265637 /nfs/dbraw/zinc/26/56/37/279265637.db2.gz DLZNAHCRQOAQEK-DLBZAZTESA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433918220 279281089 /nfs/dbraw/zinc/28/10/89/279281089.db2.gz HQARXOQIKJEHML-IRXDYDNUSA-N 1 3 322.497 2.177 20 0 DEADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433918220 279281091 /nfs/dbraw/zinc/28/10/91/279281091.db2.gz HQARXOQIKJEHML-IRXDYDNUSA-N 1 3 322.497 2.177 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)C(F)(F)F ZINC000361689795 279328911 /nfs/dbraw/zinc/32/89/11/279328911.db2.gz ADIJYCHEMFEYDC-STQMWFEESA-N 1 3 323.403 2.059 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)C(F)(F)F ZINC000361689795 279328912 /nfs/dbraw/zinc/32/89/12/279328912.db2.gz ADIJYCHEMFEYDC-STQMWFEESA-N 1 3 323.403 2.059 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000491080087 279363867 /nfs/dbraw/zinc/36/38/67/279363867.db2.gz RVGLYOAETRJBQM-MWDXBVQZSA-N 1 3 324.513 2.087 20 0 DEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000491080087 279363868 /nfs/dbraw/zinc/36/38/68/279363868.db2.gz RVGLYOAETRJBQM-MWDXBVQZSA-N 1 3 324.513 2.087 20 0 DEADHO C[C@@H]1CN(CCC2CCN(C[C@]3(C)CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000262017694 288156858 /nfs/dbraw/zinc/15/68/58/288156858.db2.gz MXCPOBVSBYILFW-ZHALLVOQSA-N 1 3 323.525 2.197 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCc3nn(C)cc32)C[C@@H](C)O1 ZINC000358754710 288161051 /nfs/dbraw/zinc/16/10/51/288161051.db2.gz NKYJMVOVJIJONZ-BFYDXBDKSA-N 1 3 320.481 2.277 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCc3c2cnn3C)C[C@H](C)O1 ZINC000178041363 288161067 /nfs/dbraw/zinc/16/10/67/288161067.db2.gz UHXBCDGJNHLVCV-HLLBOEOZSA-N 1 3 320.481 2.277 20 0 DEADHO C[C@H]1OCC[C@]1(O)CNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000378224403 280069940 /nfs/dbraw/zinc/06/99/40/280069940.db2.gz IMUXKIYMBODLBE-LMSBXDPUSA-N 1 3 310.482 2.159 20 0 DEADHO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@H]2NCCCC2(C)C)CC1 ZINC000424039435 281282052 /nfs/dbraw/zinc/28/20/52/281282052.db2.gz JUYOEPLYSZYCTA-LSDHHAIUSA-N 1 3 307.482 2.001 20 0 DEADHO COc1ccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1O ZINC000062253104 281503181 /nfs/dbraw/zinc/50/31/81/281503181.db2.gz UOPJKCOZKFFPTG-GJZGRUSLSA-N 1 3 322.449 2.380 20 0 DEADHO CC[C@@H](N)C(=O)Nc1nc2ccccc2n1CC[NH+](CC)CC ZINC000130253144 281934529 /nfs/dbraw/zinc/93/45/29/281934529.db2.gz OVQIEURDURVDMB-CYBMUJFWSA-N 1 3 317.437 2.054 20 0 DEADHO Cc1cccc(F)c1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000133436969 282016085 /nfs/dbraw/zinc/01/60/85/282016085.db2.gz VNEXPIKQIYRLAB-UHFFFAOYSA-N 1 3 310.417 2.091 20 0 DEADHO C[C@@H]1[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CCCN1C ZINC000345746639 289051618 /nfs/dbraw/zinc/05/16/18/289051618.db2.gz LPUBUZWZRNTFKT-BRWVUGGUSA-N 1 3 322.497 2.129 20 0 DEADHO CN(C)CCOc1ccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000237198757 289171729 /nfs/dbraw/zinc/17/17/29/289171729.db2.gz JQENERDEBHWGJY-KBPBESRZSA-N 1 3 305.422 2.083 20 0 DEADHO C[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)N1[C@H](C)CC[C@@H]1C ZINC000247084085 289303877 /nfs/dbraw/zinc/30/38/77/289303877.db2.gz WWIXJKVDNQNWPS-ALYAQQCSSA-N 1 3 307.482 2.190 20 0 DEADHO C[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)N1[C@H](C)CC[C@@H]1C ZINC000247084085 289303881 /nfs/dbraw/zinc/30/38/81/289303881.db2.gz WWIXJKVDNQNWPS-ALYAQQCSSA-N 1 3 307.482 2.190 20 0 DEADHO C[C@H](C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C)N1CCCCCC1 ZINC000342445002 289318961 /nfs/dbraw/zinc/31/89/61/289318961.db2.gz RCIIBYRYJCFXGB-GVDBMIGSSA-N 1 3 307.482 2.336 20 0 DEADHO C[C@H](C(=O)NCCC[NH+]1CCC(C)CC1)N1[C@H](C)CC[C@@H]1C ZINC000121989548 289352080 /nfs/dbraw/zinc/35/20/80/289352080.db2.gz JUWJQHKXYVOCCO-IXDOHACOSA-N 1 3 309.498 2.486 20 0 DEADHO CN(C)[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422750235 289364826 /nfs/dbraw/zinc/36/48/26/289364826.db2.gz CMHDIHABXVSYDA-FCGDIQPGSA-N 1 3 317.477 2.036 20 0 DEADHO N[C@@H](CC(F)F)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000345715567 295293384 /nfs/dbraw/zinc/29/33/84/295293384.db2.gz QDNGPIIFEMNJDM-AWEZNQCLSA-N 1 3 317.424 2.084 20 0 DEADHO N[C@@H](CC(F)F)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000345715567 295293387 /nfs/dbraw/zinc/29/33/87/295293387.db2.gz QDNGPIIFEMNJDM-AWEZNQCLSA-N 1 3 317.424 2.084 20 0 DEADHO C[C@H](C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCCCCC1 ZINC000449198494 298039165 /nfs/dbraw/zinc/03/91/65/298039165.db2.gz BWDDGDLJOBMVEI-ZACQAIPSSA-N 1 3 307.482 2.099 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])N(C)C)cc1 ZINC000261817507 301714628 /nfs/dbraw/zinc/71/46/28/301714628.db2.gz SHIMOGNZFGDMDZ-GVDBMIGSSA-N 1 3 303.450 2.231 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)CC[C@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000261736242 301714901 /nfs/dbraw/zinc/71/49/01/301714901.db2.gz GGXCXYBZTJCQLK-DOTOQJQBSA-N 1 3 303.450 2.104 20 0 DEADHO Cc1ccccc1C[C@H](CO)N[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423062530 302102334 /nfs/dbraw/zinc/10/23/34/302102334.db2.gz UJXQQYZTAQVPSZ-AHRSYUTCSA-N 1 3 312.457 2.447 20 0 DEADHO Cc1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414677078 302150426 /nfs/dbraw/zinc/15/04/26/302150426.db2.gz OGPMQQSOCOUYRX-WMZOPIPTSA-N 1 3 315.461 2.329 20 0 DEADHO Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414677078 302150428 /nfs/dbraw/zinc/15/04/28/302150428.db2.gz OGPMQQSOCOUYRX-WMZOPIPTSA-N 1 3 315.461 2.329 20 0 DEADHO [NH3+]C1(CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)CCC1 ZINC000417028543 303359190 /nfs/dbraw/zinc/35/91/90/303359190.db2.gz OKJRIOPWLKLDTF-MRXNPFEDSA-N 1 3 316.449 2.004 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC000414673807 303366028 /nfs/dbraw/zinc/36/60/28/303366028.db2.gz CWJCHHNXSPKWRI-WMLDXEAASA-N 1 3 319.424 2.160 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC000414673807 303366031 /nfs/dbraw/zinc/36/60/31/303366031.db2.gz CWJCHHNXSPKWRI-WMLDXEAASA-N 1 3 319.424 2.160 20 0 DEADHO NC[C@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000237807659 303414177 /nfs/dbraw/zinc/41/41/77/303414177.db2.gz BTBIQJGWWZUZBH-AEFFLSMTSA-N 1 3 315.461 2.063 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001368908973 1148764011 /nfs/dbraw/zinc/76/40/11/1148764011.db2.gz YCFUYNPYNLXWIB-OLZOCXBDSA-N 1 3 318.465 2.324 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]2C[N@H+](C(C)C)C[C@H]21)N(CC)CC ZINC001424045007 1173627139 /nfs/dbraw/zinc/62/71/39/1173627139.db2.gz YAKIUBCBHHSEAQ-YESZJQIVSA-N 1 3 309.498 2.438 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(C/C=C/Cl)CC1 ZINC001424255479 1173716626 /nfs/dbraw/zinc/71/66/26/1173716626.db2.gz CGKPKHMVCCGUJW-VZUFXWRPSA-N 1 3 301.862 2.051 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(C/C=C/Cl)CC1 ZINC001424255479 1173716628 /nfs/dbraw/zinc/71/66/28/1173716628.db2.gz CGKPKHMVCCGUJW-VZUFXWRPSA-N 1 3 301.862 2.051 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CCC(C)(C)C ZINC001424486600 1173806982 /nfs/dbraw/zinc/80/69/82/1173806982.db2.gz TZSLOJMABIFHTH-HOCLYGCPSA-N 1 3 309.498 2.343 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N(C)CCC[NH3+])c1ccsc1 ZINC000572943362 326000580 /nfs/dbraw/zinc/00/05/80/326000580.db2.gz HJEKTEAOHVRVRR-AWEZNQCLSA-N 1 3 312.483 2.121 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000573562150 326069289 /nfs/dbraw/zinc/06/92/89/326069289.db2.gz NVCHAOSKBYKRAI-GJZGRUSLSA-N 1 3 320.481 2.322 20 0 DEADHO CN[C@@H](C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000574414539 326153691 /nfs/dbraw/zinc/15/36/91/326153691.db2.gz NWBDEHFBTUVITH-HNNXBMFYSA-N 1 3 303.450 2.287 20 0 DEADHO CNC(=O)CCCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000575327193 326234156 /nfs/dbraw/zinc/23/41/56/326234156.db2.gz RFPPXMWMTFHAQR-IBGZPJMESA-N 1 3 315.461 2.111 20 0 DEADHO CNC(=O)CCCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000575327193 326234157 /nfs/dbraw/zinc/23/41/57/326234157.db2.gz RFPPXMWMTFHAQR-IBGZPJMESA-N 1 3 315.461 2.111 20 0 DEADHO C[C@H](CNC(=O)[C@H](C)N1CCC(CC[NH3+])CC1)c1ccccc1 ZINC000576232932 326279055 /nfs/dbraw/zinc/27/90/55/326279055.db2.gz GKFQJNYIHGDFTO-CVEARBPZSA-N 1 3 317.477 2.356 20 0 DEADHO C[C@H](c1ccncc1)N1CCC([NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000576837178 326323787 /nfs/dbraw/zinc/32/37/87/326323787.db2.gz HHGPCGSYVTTXOW-HFTRVMKXSA-N 1 3 302.466 2.467 20 0 DEADHO CC1CCC(O)(CNC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000577365841 326360504 /nfs/dbraw/zinc/36/05/04/326360504.db2.gz IXHIAZRSBHEVQZ-PZZKWDHKSA-N 1 3 324.509 2.285 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc3c2CCNC3)C1 ZINC000577471431 326368554 /nfs/dbraw/zinc/36/85/54/326368554.db2.gz ACFFLWBAJCCKDN-AWEZNQCLSA-N 1 3 316.449 2.138 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc3c2CCNC3)C1 ZINC000577471431 326368558 /nfs/dbraw/zinc/36/85/58/326368558.db2.gz ACFFLWBAJCCKDN-AWEZNQCLSA-N 1 3 316.449 2.138 20 0 DEADHO O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000378959540 333067424 /nfs/dbraw/zinc/06/74/24/333067424.db2.gz PBRXQUQZMRVYPE-RHQZKXFESA-N 1 3 300.446 2.400 20 0 DEADHO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)N)c1 ZINC000582235431 336383603 /nfs/dbraw/zinc/38/36/03/336383603.db2.gz JXNVLCQMUYXIEE-QGULPLLQSA-N 1 3 304.434 2.141 20 0 DEADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000582719669 337124790 /nfs/dbraw/zinc/12/47/90/337124790.db2.gz BCBQDQAJJVFYLN-YJNKXOJESA-N 1 3 320.437 2.274 20 0 DEADHO Cc1cccc(C(=O)NCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000583018709 337225498 /nfs/dbraw/zinc/22/54/98/337225498.db2.gz FJFUUMJTARYKRP-RCCFBDPRSA-N 1 3 315.461 2.235 20 0 DEADHO CC(C)[NH2+]CCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000398161495 337307663 /nfs/dbraw/zinc/30/76/63/337307663.db2.gz SCKWVPNKKOBQAA-FUHWJXTLSA-N 1 3 317.477 2.401 20 0 DEADHO C[N@@H+]1CCC[C@H](CCNC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000584458415 337342532 /nfs/dbraw/zinc/34/25/32/337342532.db2.gz QFFWHCZFIHGHIY-CYBMUJFWSA-N 1 3 302.422 2.143 20 0 DEADHO C[N@H+]1CCC[C@H](CCNC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000584458415 337342533 /nfs/dbraw/zinc/34/25/33/337342533.db2.gz QFFWHCZFIHGHIY-CYBMUJFWSA-N 1 3 302.422 2.143 20 0 DEADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CCC(F)(F)F ZINC001376798490 1159804235 /nfs/dbraw/zinc/80/42/35/1159804235.db2.gz GZWOWWUKQUSARZ-LLVKDONJSA-N 1 3 311.392 2.011 20 0 DEADHO CN(CC(=O)NC[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1)CC(C)(C)C ZINC001397081126 1159953321 /nfs/dbraw/zinc/95/33/21/1159953321.db2.gz NLIJRMKFKBOEEJ-DLPZHFSESA-N 1 3 315.889 2.201 20 0 DEADHO CC(C)[C@H](CCN(C)C(=O)[C@H]1CCCN1C)[NH2+]C/C=C/Cl ZINC001378383470 1152311877 /nfs/dbraw/zinc/31/18/77/1152311877.db2.gz UCMIWOUJEQTBRP-OVPGCVMQSA-N 1 3 315.889 2.296 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]C/C=C\Cl)CC2)C1 ZINC001378453743 1152335355 /nfs/dbraw/zinc/33/53/55/1152335355.db2.gz UOBGETDKJNZJNG-URCAOMPUSA-N 1 3 313.873 2.098 20 0 DEADHO CN(C)C1(C(=O)N2CCC(C[N@H+](C)CCCF)CC2)CCC1 ZINC001377780020 1160819929 /nfs/dbraw/zinc/81/99/29/1160819929.db2.gz FDKVXCXHCHYEAA-UHFFFAOYSA-N 1 3 313.461 2.001 20 0 DEADHO CN(C)C1(C(=O)N2CCC(C[N@@H+](C)CCCF)CC2)CCC1 ZINC001377780020 1160819931 /nfs/dbraw/zinc/81/99/31/1160819931.db2.gz FDKVXCXHCHYEAA-UHFFFAOYSA-N 1 3 313.461 2.001 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CC1)N(C)C ZINC001378524303 1152361190 /nfs/dbraw/zinc/36/11/90/1152361190.db2.gz MSQSGDFLMIUIAV-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CCCCC[N@H+]1CC1CC1)N(C)C ZINC001378524303 1152361194 /nfs/dbraw/zinc/36/11/94/1152361194.db2.gz MSQSGDFLMIUIAV-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]CC1CC(C)(C)C1)C1CC1)N(C)C ZINC001398444472 1160892800 /nfs/dbraw/zinc/89/28/00/1160892800.db2.gz HEYGNWDMZIOTQK-CVEARBPZSA-N 1 3 309.498 2.247 20 0 DEADHO CN(C)C1(C(=O)NCC2([NH2+]C/C=C/Cl)CCCC2)CCC1 ZINC001378694805 1152417264 /nfs/dbraw/zinc/41/72/64/1152417264.db2.gz SIDMSCNFUQBDHI-IZZDOVSWSA-N 1 3 313.873 2.242 20 0 DEADHO C[C@H]([NH2+]CC1(CN2CCOCC2)CCCCC1)[C@@H]1CCCCN1 ZINC000422853683 533831754 /nfs/dbraw/zinc/83/17/54/533831754.db2.gz SOXVSDQAIHDDDU-ROUUACIJSA-N 1 3 323.525 2.389 20 0 DEADHO C[C@H](NCC1(CN2CCOCC2)CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000422853683 533831760 /nfs/dbraw/zinc/83/17/60/533831760.db2.gz SOXVSDQAIHDDDU-ROUUACIJSA-N 1 3 323.525 2.389 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N(CCC[NH3+])CC2CCCC2)CN1C1CC1 ZINC000417858698 533919030 /nfs/dbraw/zinc/91/90/30/533919030.db2.gz PZPICXPXYBALTN-ZBFHGGJFSA-N 1 3 322.497 2.162 20 0 DEADHO CC(C)[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC1CCCC1 ZINC001401327882 1161933165 /nfs/dbraw/zinc/93/31/65/1161933165.db2.gz ABXRLDYVFVCHKE-MRXNPFEDSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCOc1ncccc1C(F)(F)F ZINC000422994300 534070827 /nfs/dbraw/zinc/07/08/27/534070827.db2.gz HMCTYTFIEBWGHI-DGCLKSJQSA-N 1 3 317.355 2.457 20 0 DEADHO C[C@@H]1CCN[C@@H](C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000423341385 534104310 /nfs/dbraw/zinc/10/43/10/534104310.db2.gz UHMLWSZREWGUDK-CRAIPNDOSA-N 1 3 315.461 2.287 20 0 DEADHO FC(F)(F)[C@@H](CNCc1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000414972965 534409867 /nfs/dbraw/zinc/40/98/67/534409867.db2.gz JVLNEGQQPSTFCT-CYBMUJFWSA-N 1 3 321.774 2.266 20 0 DEADHO O[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000294895969 534442475 /nfs/dbraw/zinc/44/24/75/534442475.db2.gz REVRQDGKHUSHEE-NTZUZEMLSA-N 1 3 300.446 2.400 20 0 DEADHO O[C@H]1C[C@@H](N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000294895969 534442479 /nfs/dbraw/zinc/44/24/79/534442479.db2.gz REVRQDGKHUSHEE-NTZUZEMLSA-N 1 3 300.446 2.400 20 0 DEADHO O[C@H]1C[C@@H](N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000294895969 534442482 /nfs/dbraw/zinc/44/24/82/534442482.db2.gz REVRQDGKHUSHEE-NTZUZEMLSA-N 1 3 300.446 2.400 20 0 DEADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCC1=CCCOC1 ZINC000423119316 534502756 /nfs/dbraw/zinc/50/27/56/534502756.db2.gz DNQDIIMEFTXEBN-FUHWJXTLSA-N 1 3 300.402 2.179 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H](C)c2cnn(C(C)C)c2)CC1 ZINC000154317813 521682448 /nfs/dbraw/zinc/68/24/48/521682448.db2.gz SJHQCGVOJPKSFR-MRXNPFEDSA-N 1 3 307.486 2.142 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000156284694 521915947 /nfs/dbraw/zinc/91/59/47/521915947.db2.gz UVUWRYRYTCDFMN-QGZVFWFLSA-N 1 3 315.461 2.495 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000156284694 521915953 /nfs/dbraw/zinc/91/59/53/521915953.db2.gz UVUWRYRYTCDFMN-QGZVFWFLSA-N 1 3 315.461 2.495 20 0 DEADHO Cc1cccc(C)c1OCCC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N ZINC000422949140 534681256 /nfs/dbraw/zinc/68/12/56/534681256.db2.gz SXPMVNGEAHTRFF-GVDBMIGSSA-N 1 3 306.450 2.414 20 0 DEADHO Cc1cccc(C)c1OCCCN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422949140 534681261 /nfs/dbraw/zinc/68/12/61/534681261.db2.gz SXPMVNGEAHTRFF-GVDBMIGSSA-N 1 3 306.450 2.414 20 0 DEADHO CCc1cc(OC)ccc1C[NH2+]CCCN1CCN(CC)CC1 ZINC000337326514 523837736 /nfs/dbraw/zinc/83/77/36/523837736.db2.gz CLBXXSIKGLKITF-UHFFFAOYSA-N 1 3 319.493 2.375 20 0 DEADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccco2)C1 ZINC000338380516 523847484 /nfs/dbraw/zinc/84/74/84/523847484.db2.gz KSFGIXCTWSVIGJ-HOTGVXAUSA-N 1 3 319.449 2.206 20 0 DEADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H](CNC(=O)c2ccco2)C1 ZINC000338380516 523847491 /nfs/dbraw/zinc/84/74/91/523847491.db2.gz KSFGIXCTWSVIGJ-HOTGVXAUSA-N 1 3 319.449 2.206 20 0 DEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)CCN1CCCC1 ZINC000112745945 524366028 /nfs/dbraw/zinc/36/60/28/524366028.db2.gz VPCAFPXRDOVQBI-IXDOHACOSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)CCN1CCCC1 ZINC000112745945 524366032 /nfs/dbraw/zinc/36/60/32/524366032.db2.gz VPCAFPXRDOVQBI-IXDOHACOSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H](CNC(=O)NCCCC[NH+]1CCC(C)CC1)N(C)C1CC1 ZINC000105133823 524410488 /nfs/dbraw/zinc/41/04/88/524410488.db2.gz HJACGEVGHBKBKJ-MRXNPFEDSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCCC[C@H]1C ZINC000337353097 524425863 /nfs/dbraw/zinc/42/58/63/524425863.db2.gz ANEKUKCQWGLBJY-QBPKDAKJSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCCC[C@H]1C ZINC000337353097 524425876 /nfs/dbraw/zinc/42/58/76/524425876.db2.gz ANEKUKCQWGLBJY-QBPKDAKJSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@H]1C[C@@H](CCNCc2cnnn2C)C[N@@H+]1Cc1ccccc1 ZINC000338177408 524777282 /nfs/dbraw/zinc/77/72/82/524777282.db2.gz FXBDTPOGGFQUKC-DOTOQJQBSA-N 1 3 313.449 2.205 20 0 DEADHO C[C@H]1C[C@@H](CCNCc2cnnn2C)C[N@H+]1Cc1ccccc1 ZINC000338177408 524777295 /nfs/dbraw/zinc/77/72/95/524777295.db2.gz FXBDTPOGGFQUKC-DOTOQJQBSA-N 1 3 313.449 2.205 20 0 DEADHO CC(C)(C(=O)NC[C@]1(C)CCC[NH2+]C1)[C@@H](N)c1ccccc1 ZINC000417808040 527525685 /nfs/dbraw/zinc/52/56/85/527525685.db2.gz KVGAXWBOMLJDNL-MAUKXSAKSA-N 1 3 303.450 2.219 20 0 DEADHO COC[C@H]1CCCN(CC(C)C[N@@H+]2CCC[C@H](COC)C2)C1 ZINC000346640032 536524043 /nfs/dbraw/zinc/52/40/43/536524043.db2.gz IFZMMZHQUGDZOC-ROUUACIJSA-N 1 3 312.498 2.339 20 0 DEADHO COC[C@H]1CCCN(CC(C)C[N@H+]2CCC[C@H](COC)C2)C1 ZINC000346640032 536524046 /nfs/dbraw/zinc/52/40/46/536524046.db2.gz IFZMMZHQUGDZOC-ROUUACIJSA-N 1 3 312.498 2.339 20 0 DEADHO CC(C)O[C@@H]1C[C@H](N[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1(C)C ZINC000423052994 528067743 /nfs/dbraw/zinc/06/77/43/528067743.db2.gz RSTRFPTTZPDRAH-ZOFXXKQRSA-N 1 3 310.482 2.325 20 0 DEADHO CCN(CC)[C@H](CN[C@@H](C)C1C[NH2+]C1)c1cccc(OC)c1 ZINC000422799429 528280457 /nfs/dbraw/zinc/28/04/57/528280457.db2.gz WRJPFTBDJCBNME-KBXCAEBGSA-N 1 3 305.466 2.276 20 0 DEADHO CC[NH2+]CCNC(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000418039613 528320426 /nfs/dbraw/zinc/32/04/26/528320426.db2.gz UGYXDFPSPFTPAZ-KRWDZBQOSA-N 1 3 320.481 2.052 20 0 DEADHO CCN(Cc1ccc(C(=O)N2CC[C@H](C[NH3+])C2)cc1)C1CC1 ZINC000429041726 528773449 /nfs/dbraw/zinc/77/34/49/528773449.db2.gz PYEJYUKNKPMWED-OAHLLOKOSA-N 1 3 301.434 2.092 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418371780 528778747 /nfs/dbraw/zinc/77/87/47/528778747.db2.gz QADKVNOJBQOWKN-QGZVFWFLSA-N 1 3 318.465 2.032 20 0 DEADHO CCOCCOCc1cccc(CN[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000422862125 528811075 /nfs/dbraw/zinc/81/10/75/528811075.db2.gz NLAVUSVINJQNAB-ZWKOTPCHSA-N 1 3 306.450 2.457 20 0 DEADHO CCC(CC)[C@H](CN[C@H](C1CC1)[C@@H]1CNCCO1)[NH+]1CCCC1 ZINC000422818206 528856900 /nfs/dbraw/zinc/85/69/00/528856900.db2.gz JTNVMSIFSAHWQQ-GBESFXJTSA-N 1 3 323.525 2.244 20 0 DEADHO CCC(CC)[C@H](C[NH2+][C@H](C1CC1)[C@@H]1CNCCO1)N1CCCC1 ZINC000422818206 528856906 /nfs/dbraw/zinc/85/69/06/528856906.db2.gz JTNVMSIFSAHWQQ-GBESFXJTSA-N 1 3 323.525 2.244 20 0 DEADHO CCC([NH3+])(CC)CNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000418443128 528929744 /nfs/dbraw/zinc/92/97/44/528929744.db2.gz ULFDSWUCYAJTIS-UHFFFAOYSA-N 1 3 312.502 2.267 20 0 DEADHO CC(C)N1CC[C@H](N(C)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000418475354 529074393 /nfs/dbraw/zinc/07/43/93/529074393.db2.gz ZCCKUZJITLDXQC-YOEHRIQHSA-N 1 3 318.465 2.330 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)N1CCC(CC[NH2+]C)CC1 ZINC000417701344 529200418 /nfs/dbraw/zinc/20/04/18/529200418.db2.gz MSCCLFGVQYSPIV-KRWDZBQOSA-N 1 3 324.513 2.282 20 0 DEADHO CC[C@H](CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])Oc1cccc(F)c1 ZINC000422847721 529369469 /nfs/dbraw/zinc/36/94/69/529369469.db2.gz IVMNKUNUSGCYSS-QIJZBDPFSA-N 1 3 310.413 2.325 20 0 DEADHO CC(C)[NH+]1CCC(N2CCN(CC[C@H]3CCCO3)CC2)CC1 ZINC000346407448 535156676 /nfs/dbraw/zinc/15/66/76/535156676.db2.gz FQJVMBWZWIWLTK-GOSISDBHSA-N 1 3 309.498 2.046 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](OCC3CC3)C2)CC1 ZINC000374299486 535198787 /nfs/dbraw/zinc/19/87/87/535198787.db2.gz WFOXTKMJHJBFED-LJQANCHMSA-N 1 3 323.525 2.294 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](OCC3CC3)C2)CC1 ZINC000374299486 535198792 /nfs/dbraw/zinc/19/87/92/535198792.db2.gz WFOXTKMJHJBFED-LJQANCHMSA-N 1 3 323.525 2.294 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](c3ccco3)C2)CC1 ZINC000376415963 535199649 /nfs/dbraw/zinc/19/96/49/535199649.db2.gz MRIWTJQCRWUQLS-QGZVFWFLSA-N 1 3 305.466 2.485 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](c3ccco3)C2)CC1 ZINC000376415963 535199650 /nfs/dbraw/zinc/19/96/50/535199650.db2.gz MRIWTJQCRWUQLS-QGZVFWFLSA-N 1 3 305.466 2.485 20 0 DEADHO CC(C)C[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)N1CCOCC1 ZINC000249310521 535313077 /nfs/dbraw/zinc/31/30/77/535313077.db2.gz LNHYANPRGUNQJQ-WNRNVDISSA-N 1 3 311.514 2.052 20 0 DEADHO CC(C)C[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)N1CCOCC1 ZINC000249310521 535313080 /nfs/dbraw/zinc/31/30/80/535313080.db2.gz LNHYANPRGUNQJQ-WNRNVDISSA-N 1 3 311.514 2.052 20 0 DEADHO CCNC(=O)c1ccc(C[NH2+][C@@H]2CCN(CC)C[C@H]2C)cc1 ZINC000246871336 535422741 /nfs/dbraw/zinc/42/27/41/535422741.db2.gz DLAAUAZZALQLLL-RHSMWYFYSA-N 1 3 303.450 2.256 20 0 DEADHO CCN1CCN(CCC[NH2+]Cc2ccnn2C2CCCC2)CC1 ZINC000449217764 535698416 /nfs/dbraw/zinc/69/84/16/535698416.db2.gz BPDTWJSNVAHNQT-UHFFFAOYSA-N 1 3 319.497 2.115 20 0 DEADHO CN(C)CCOc1cccc(NC(=O)CC[C@H]2CCC[NH2+]2)c1 ZINC000262544594 535909991 /nfs/dbraw/zinc/90/99/91/535909991.db2.gz ROMMVLKYUCJQPP-CQSZACIVSA-N 1 3 305.422 2.098 20 0 DEADHO CN(C)Cc1ccc(-c2noc([C@@]34CCC[C@@H]3C[NH2+]C4)n2)cc1 ZINC000261648804 535993856 /nfs/dbraw/zinc/99/38/56/535993856.db2.gz DUBHAOUGRGNTKI-CRAIPNDOSA-N 1 3 312.417 2.439 20 0 DEADHO CN(C)Cc1cccc(CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])c1 ZINC000263107207 536032029 /nfs/dbraw/zinc/03/20/29/536032029.db2.gz AAOQKHYCYDAYRX-WMZOPIPTSA-N 1 3 303.450 2.272 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000362836481 536040152 /nfs/dbraw/zinc/04/01/52/536040152.db2.gz HCHDCZIKHRNYAX-OAHLLOKOSA-N 1 3 303.450 2.162 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000362836481 536040154 /nfs/dbraw/zinc/04/01/54/536040154.db2.gz HCHDCZIKHRNYAX-OAHLLOKOSA-N 1 3 303.450 2.162 20 0 DEADHO CN1CCC(CC(=O)NCCC[N@H+](C)Cc2ccccc2)CC1 ZINC000346879162 536352440 /nfs/dbraw/zinc/35/24/40/536352440.db2.gz VCXVFQSAPLCONI-UHFFFAOYSA-N 1 3 317.477 2.357 20 0 DEADHO CN1CCC(CC(=O)NCCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000346879162 536352442 /nfs/dbraw/zinc/35/24/42/536352442.db2.gz VCXVFQSAPLCONI-UHFFFAOYSA-N 1 3 317.477 2.357 20 0 DEADHO COC1(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)CCCC1 ZINC000361585630 536623760 /nfs/dbraw/zinc/62/37/60/536623760.db2.gz QKONSURWWBZBLI-UHFFFAOYSA-N 1 3 323.525 2.295 20 0 DEADHO COc1cc(CN2CCC[C@H](CC[NH3+])C2)cc(OC)c1OC ZINC000261978828 536756854 /nfs/dbraw/zinc/75/68/54/536756854.db2.gz QZRDGMXYEOYOAM-CYBMUJFWSA-N 1 3 308.422 2.273 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CCC1CC1 ZINC001369752460 1149144849 /nfs/dbraw/zinc/14/48/49/1149144849.db2.gz RETUKYPCXOJWJO-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1nc(CCNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)n[nH]1 ZINC001414134431 1152564610 /nfs/dbraw/zinc/56/46/10/1152564610.db2.gz JQWHNOJUNGLGKM-CZUORRHYSA-N 1 3 305.470 2.288 20 0 DEADHO Cc1n[nH]c(CCNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)n1 ZINC001414134431 1152564612 /nfs/dbraw/zinc/56/46/12/1152564612.db2.gz JQWHNOJUNGLGKM-CZUORRHYSA-N 1 3 305.470 2.288 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001379148544 1152582022 /nfs/dbraw/zinc/58/20/22/1152582022.db2.gz PIEXATPISDBRNR-INIZCTEOSA-N 1 3 317.477 2.416 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001379385167 1152617851 /nfs/dbraw/zinc/61/78/51/1152617851.db2.gz ODNSKURFALCBGX-PBHICJAKSA-N 1 3 323.456 2.337 20 0 DEADHO C[C@@H](C[NH2+]Cc1ccc(CF)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001379513619 1152635532 /nfs/dbraw/zinc/63/55/32/1152635532.db2.gz BRZLTSJYWPMHHJ-AWEZNQCLSA-N 1 3 321.440 2.235 20 0 DEADHO CC[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccsc2)C1)N(C)C ZINC001368819502 1148687600 /nfs/dbraw/zinc/68/76/00/1148687600.db2.gz ZTIYARNZMYJZHN-NRXISQOPSA-N 1 3 309.479 2.073 20 0 DEADHO CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C[C@@H]2C1 ZINC001381924661 1153275277 /nfs/dbraw/zinc/27/52/77/1153275277.db2.gz HRSRVEIIRKNOTL-ARFHVFGLSA-N 1 3 309.498 2.201 20 0 DEADHO CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C[C@@H]2C1 ZINC001381924661 1153275280 /nfs/dbraw/zinc/27/52/80/1153275280.db2.gz HRSRVEIIRKNOTL-ARFHVFGLSA-N 1 3 309.498 2.201 20 0 DEADHO Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)CN(C)C(C)C)cs1 ZINC001382169829 1153386949 /nfs/dbraw/zinc/38/69/49/1153386949.db2.gz XDFZFZHNXUCADO-CYBMUJFWSA-N 1 3 311.495 2.333 20 0 DEADHO CN1c2ccc(C[NH2+]C[C@@H]3CCN(C4CC4)C3)cc2CCC1=O ZINC000187119532 625416841 /nfs/dbraw/zinc/41/68/41/625416841.db2.gz PMBYHSVUHMRCCQ-HNNXBMFYSA-N 1 3 313.445 2.170 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CCF)CC1 ZINC001026571843 625531958 /nfs/dbraw/zinc/53/19/58/625531958.db2.gz OYLAXTRXUNRRHP-UYSNPLJNSA-N 1 3 313.461 2.236 20 0 DEADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001020591330 622930813 /nfs/dbraw/zinc/93/08/13/622930813.db2.gz LAHHCLGSPNPYKE-QAQDUYKDSA-N 1 3 319.493 2.456 20 0 DEADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cs1 ZINC000969846276 622950349 /nfs/dbraw/zinc/95/03/49/622950349.db2.gz RCVQNZQETOMIIO-HZPDHXFCSA-N 1 3 323.506 2.333 20 0 DEADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)cc1 ZINC000969948345 623013114 /nfs/dbraw/zinc/01/31/14/623013114.db2.gz KEVFNMWOSPFLLW-SJLPKXTDSA-N 1 3 315.461 2.170 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892434930 625636584 /nfs/dbraw/zinc/63/65/84/625636584.db2.gz VLWGBAHSRIHUPL-QAQDUYKDSA-N 1 3 324.513 2.411 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001021274207 623461830 /nfs/dbraw/zinc/46/18/30/623461830.db2.gz MTFAEPCNMNSULH-FBVQUNGASA-N 1 3 319.493 2.382 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001021274207 623461833 /nfs/dbraw/zinc/46/18/33/623461833.db2.gz MTFAEPCNMNSULH-FBVQUNGASA-N 1 3 319.493 2.382 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CC2)C1 ZINC000970530406 623522689 /nfs/dbraw/zinc/52/26/89/623522689.db2.gz ZBJFBGNCIPIZIG-WMLDXEAASA-N 1 3 307.482 2.096 20 0 DEADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000970716831 623639169 /nfs/dbraw/zinc/63/91/69/623639169.db2.gz GBRQYXKUNSEATB-QGZVFWFLSA-N 1 3 307.482 2.243 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCCC2)C1 ZINC000970799662 623686939 /nfs/dbraw/zinc/68/69/39/623686939.db2.gz GLCQVCBCUGNGLV-SJORKVTESA-N 1 3 307.482 2.242 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC000970800474 623689287 /nfs/dbraw/zinc/68/92/87/623689287.db2.gz PPIWUJOBOKGDDZ-SJORKVTESA-N 1 3 321.509 2.488 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]2C[N@H+](CCC3CC3)CC[C@H]21 ZINC001021677162 623943292 /nfs/dbraw/zinc/94/32/92/623943292.db2.gz GLQMFBHIOQTAQB-DOTOQJQBSA-N 1 3 316.449 2.065 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]2C[N@@H+](CCC3CC3)CC[C@H]21 ZINC001021677162 623943297 /nfs/dbraw/zinc/94/32/97/623943297.db2.gz GLQMFBHIOQTAQB-DOTOQJQBSA-N 1 3 316.449 2.065 20 0 DEADHO CC(C)C[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000971540227 624184639 /nfs/dbraw/zinc/18/46/39/624184639.db2.gz RBOJRENWFCVFJN-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000971540227 624184641 /nfs/dbraw/zinc/18/46/41/624184641.db2.gz RBOJRENWFCVFJN-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001026734075 625703698 /nfs/dbraw/zinc/70/36/98/625703698.db2.gz KXYKBESSHOLYHH-IRXDYDNUSA-N 1 3 305.466 2.019 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)CN1C1CC1 ZINC000891658922 624519622 /nfs/dbraw/zinc/51/96/22/624519622.db2.gz BCPXKBQQDASFKI-GLJUWKHASA-N 1 3 322.497 2.018 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001022712605 624864758 /nfs/dbraw/zinc/86/47/58/624864758.db2.gz VEXDUVRQFNSDBN-OIISXLGYSA-N 1 3 307.482 2.288 20 0 DEADHO C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1)c1ccccc1 ZINC001022713278 624865947 /nfs/dbraw/zinc/86/59/47/624865947.db2.gz JTBGAJMCPMZOEY-CIRFHOKZSA-N 1 3 315.461 2.326 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001022716843 624869914 /nfs/dbraw/zinc/86/99/14/624869914.db2.gz KAJLPIMXABAFTK-NXHRZFHOSA-N 1 3 319.493 2.456 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([N@H+](C)CCC3CCCC3)C2)C1 ZINC000972336248 624933186 /nfs/dbraw/zinc/93/31/86/624933186.db2.gz VDHCKRDACFENLD-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CCC3CCCC3)C2)C1 ZINC000972336248 624933188 /nfs/dbraw/zinc/93/31/88/624933188.db2.gz VDHCKRDACFENLD-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC000972484297 625118888 /nfs/dbraw/zinc/11/88/88/625118888.db2.gz BHIWBEHVGHMDLH-SJORKVTESA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC000972484297 625118893 /nfs/dbraw/zinc/11/88/93/625118893.db2.gz BHIWBEHVGHMDLH-SJORKVTESA-N 1 3 309.498 2.438 20 0 DEADHO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CCCCN(C)C2)cn1 ZINC000926752529 625154477 /nfs/dbraw/zinc/15/44/77/625154477.db2.gz AINHTAPLENRGBR-NJAFHUGGSA-N 1 3 304.482 2.453 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCC3)C[C@H]21 ZINC001026148649 625155697 /nfs/dbraw/zinc/15/56/97/625155697.db2.gz WZCJWFCOXGFVJJ-AZLANHEYSA-N 1 3 319.493 2.096 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21 ZINC001026148649 625155701 /nfs/dbraw/zinc/15/57/01/625155701.db2.gz WZCJWFCOXGFVJJ-AZLANHEYSA-N 1 3 319.493 2.096 20 0 DEADHO C[C@@H]1NCCC[C@H]1[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000925533222 625232902 /nfs/dbraw/zinc/23/29/02/625232902.db2.gz ZASAVHVADUDHPM-GDLCADMTSA-N 1 3 318.339 2.349 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001023364954 625239325 /nfs/dbraw/zinc/23/93/25/625239325.db2.gz STZZEMPGORKNSI-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001023364954 625239327 /nfs/dbraw/zinc/23/93/27/625239327.db2.gz STZZEMPGORKNSI-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001023402316 625254295 /nfs/dbraw/zinc/25/42/95/625254295.db2.gz KBKWKBOFYAFNHB-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO CCCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001023402316 625254296 /nfs/dbraw/zinc/25/42/96/625254296.db2.gz KBKWKBOFYAFNHB-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO CC[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946517603 634483737 /nfs/dbraw/zinc/48/37/37/634483737.db2.gz JIIOHNQYNDJXTM-FJIDUMEYSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946517603 634483740 /nfs/dbraw/zinc/48/37/40/634483740.db2.gz JIIOHNQYNDJXTM-FJIDUMEYSA-N 1 3 321.509 2.297 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518404 634506855 /nfs/dbraw/zinc/50/68/55/634506855.db2.gz TXQBLVBDNIGLMU-BBWFWOEESA-N 1 3 307.482 2.051 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518404 634506860 /nfs/dbraw/zinc/50/68/60/634506860.db2.gz TXQBLVBDNIGLMU-BBWFWOEESA-N 1 3 307.482 2.051 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2)C1)C1CC1 ZINC000999374966 634571667 /nfs/dbraw/zinc/57/16/67/634571667.db2.gz SPEOQCCXTFWAKD-ROUUACIJSA-N 1 3 315.461 2.107 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccsc2)C1)N(C)C ZINC000999488782 634618416 /nfs/dbraw/zinc/61/84/16/634618416.db2.gz HATAIXLRDJEQLO-LSDHHAIUSA-N 1 3 309.479 2.169 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2cccc(C)c2)C1)N(C)C ZINC001000228380 634803389 /nfs/dbraw/zinc/80/33/89/634803389.db2.gz SGVQOSFQPAORTK-ROUUACIJSA-N 1 3 317.477 2.416 20 0 DEADHO CN(C)CC1(c2nc(-c3ccc(C[NH+](C)C)cc3)no2)CC1 ZINC000923780177 632935375 /nfs/dbraw/zinc/93/53/75/632935375.db2.gz HJWBEEYPOQJVNU-UHFFFAOYSA-N 1 3 300.406 2.391 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC2CCC2)C(C)(C)C1 ZINC000995874454 633133349 /nfs/dbraw/zinc/13/33/49/633133349.db2.gz UYKJWGFDQZAXHQ-IAGOWNOFSA-N 1 3 321.509 2.488 20 0 DEADHO CCC[NH2+][C@H]1CN(C(=O)[C@H](C)N2CCCCCC2)CC1(C)C ZINC000996373225 633249222 /nfs/dbraw/zinc/24/92/22/633249222.db2.gz JGMJLSKXWRDABW-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974862898 633338188 /nfs/dbraw/zinc/33/81/88/633338188.db2.gz MQWFBSAGXDRIKF-IAGOWNOFSA-N 1 3 321.509 2.488 20 0 DEADHO CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974862898 633338196 /nfs/dbraw/zinc/33/81/96/633338196.db2.gz MQWFBSAGXDRIKF-IAGOWNOFSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001027062926 633384467 /nfs/dbraw/zinc/38/44/67/633384467.db2.gz FGWPKWFRCCBDIX-HZPDHXFCSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC001027063500 633385587 /nfs/dbraw/zinc/38/55/87/633385587.db2.gz MLFHMBOYSIZURY-GJZGRUSLSA-N 1 3 321.490 2.171 20 0 DEADHO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001027090742 633430988 /nfs/dbraw/zinc/43/09/88/633430988.db2.gz VGFCEUCLPMWTBI-CABCVRRESA-N 1 3 312.417 2.152 20 0 DEADHO CC1CC(C[NH2+]C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC000996996889 633559058 /nfs/dbraw/zinc/55/90/58/633559058.db2.gz BGZCYTDBECOFCD-UHFFFAOYSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]CC2CCCC2)CC1 ZINC000996996858 633559087 /nfs/dbraw/zinc/55/90/87/633559087.db2.gz AWLNIRUPYXZWSZ-HNNXBMFYSA-N 1 3 307.482 2.242 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]CC2=CCCCC2)CC1 ZINC000997043312 633563298 /nfs/dbraw/zinc/56/32/98/633563298.db2.gz YFNDAZKNBPXPGF-UHFFFAOYSA-N 1 3 302.422 2.033 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([N@H+](C)CCC3CC3)C2)C1 ZINC001027576799 634179341 /nfs/dbraw/zinc/17/93/41/634179341.db2.gz WZUWMQIHNMYGMS-DOTOQJQBSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([N@@H+](C)CCC3CC3)C2)C1 ZINC001027576799 634179344 /nfs/dbraw/zinc/17/93/44/634179344.db2.gz WZUWMQIHNMYGMS-DOTOQJQBSA-N 1 3 307.482 2.051 20 0 DEADHO CC1(C)CC(C[NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000998268772 634194560 /nfs/dbraw/zinc/19/45/60/634194560.db2.gz JDJVVRYFZOVDIJ-UHFFFAOYSA-N 1 3 321.509 2.347 20 0 DEADHO Cc1ccccc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC000998553141 634325048 /nfs/dbraw/zinc/32/50/48/634325048.db2.gz VHCLMTVSRJZIRN-DAWZGUTISA-N 1 3 315.461 2.168 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC=C(C)C ZINC001027918251 634963911 /nfs/dbraw/zinc/96/39/11/634963911.db2.gz LFNCBMQZLPXOEC-IRXDYDNUSA-N 1 3 307.482 2.408 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC=C(C)C ZINC001027918251 634963913 /nfs/dbraw/zinc/96/39/13/634963913.db2.gz LFNCBMQZLPXOEC-IRXDYDNUSA-N 1 3 307.482 2.408 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1CC=C(C)C ZINC001027918251 634963917 /nfs/dbraw/zinc/96/39/17/634963917.db2.gz LFNCBMQZLPXOEC-IRXDYDNUSA-N 1 3 307.482 2.408 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1CC=C(C)C ZINC001027918251 634963918 /nfs/dbraw/zinc/96/39/18/634963918.db2.gz LFNCBMQZLPXOEC-IRXDYDNUSA-N 1 3 307.482 2.408 20 0 DEADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cs1 ZINC000980407106 634989147 /nfs/dbraw/zinc/98/91/47/634989147.db2.gz VKWGLZBADXEVCQ-HZPDHXFCSA-N 1 3 321.490 2.041 20 0 DEADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cs1 ZINC000980407106 634989153 /nfs/dbraw/zinc/98/91/53/634989153.db2.gz VKWGLZBADXEVCQ-HZPDHXFCSA-N 1 3 321.490 2.041 20 0 DEADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cs1 ZINC000980407107 634989224 /nfs/dbraw/zinc/98/92/24/634989224.db2.gz VKWGLZBADXEVCQ-JKSUJKDBSA-N 1 3 321.490 2.041 20 0 DEADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cs1 ZINC000980407107 634989227 /nfs/dbraw/zinc/98/92/27/634989227.db2.gz VKWGLZBADXEVCQ-JKSUJKDBSA-N 1 3 321.490 2.041 20 0 DEADHO C[C@@H]1C[C@@H](C[NH2+]CC2=CCCCC2)CN1C(=O)Cc1c[nH]cn1 ZINC000980709510 635109223 /nfs/dbraw/zinc/10/92/23/635109223.db2.gz YCVIAAQTVOMVEE-ZBFHGGJFSA-N 1 3 316.449 2.279 20 0 DEADHO CC[NH2+]C[C@H]1C[C@H](C)N(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000980811039 635164520 /nfs/dbraw/zinc/16/45/20/635164520.db2.gz GLDNZMYKPIVWBK-GOEBONIOSA-N 1 3 303.450 2.208 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CC1 ZINC001027986161 635170150 /nfs/dbraw/zinc/17/01/50/635170150.db2.gz SWLHRSLKYKAJOC-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CC1 ZINC001027986161 635170155 /nfs/dbraw/zinc/17/01/55/635170155.db2.gz SWLHRSLKYKAJOC-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO CS(=O)(=O)C1CCC(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000925803246 635419673 /nfs/dbraw/zinc/41/96/73/635419673.db2.gz WJFBUECUKIHQSL-DNDXXGFKSA-N 1 3 322.474 2.324 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCC2CC2)C1 ZINC000981486543 635501423 /nfs/dbraw/zinc/50/14/23/635501423.db2.gz NZYJHXRLHWQRBS-LSDHHAIUSA-N 1 3 304.438 2.078 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CCF)C2)c1 ZINC000981539108 635522072 /nfs/dbraw/zinc/52/20/72/635522072.db2.gz STBIPIJNEHRFPK-IAGOWNOFSA-N 1 3 321.440 2.348 20 0 DEADHO CC(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC000981825666 635672834 /nfs/dbraw/zinc/67/28/34/635672834.db2.gz KWUJLDIJYBKBSK-INIZCTEOSA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)C[N@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC000981825666 635672836 /nfs/dbraw/zinc/67/28/36/635672836.db2.gz KWUJLDIJYBKBSK-INIZCTEOSA-N 1 3 309.498 2.153 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCCN2CCSC[C@@H]12 ZINC000925825307 635713437 /nfs/dbraw/zinc/71/34/37/635713437.db2.gz HRUZLOSOWMQCOK-JQFCIGGWSA-N 1 3 320.506 2.079 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[N@H+](CCCC3CCC3)CC2)C1 ZINC000981957810 635766853 /nfs/dbraw/zinc/76/68/53/635766853.db2.gz VKKFRTRKXQPKTO-QGZVFWFLSA-N 1 3 321.509 2.443 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[N@@H+](CCCC3CCC3)CC2)C1 ZINC000981957810 635766858 /nfs/dbraw/zinc/76/68/58/635766858.db2.gz VKKFRTRKXQPKTO-QGZVFWFLSA-N 1 3 321.509 2.443 20 0 DEADHO CC(C)=CC[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001002790927 635798513 /nfs/dbraw/zinc/79/85/13/635798513.db2.gz CEGSZOWVSUJJLZ-KRWDZBQOSA-N 1 3 307.482 2.406 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC1CC[NH+](CC[C@@H](C)F)CC1 ZINC001002792450 635799132 /nfs/dbraw/zinc/79/91/32/635799132.db2.gz OKWCZOFPYOEALQ-GDBMZVCRSA-N 1 3 313.461 2.188 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC1CC[NH+](CCC2CC2)CC1 ZINC001002793144 635799673 /nfs/dbraw/zinc/79/96/73/635799673.db2.gz UXVRHBHQQRXLIF-QGZVFWFLSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)C[N@@H+]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC000982083993 635856765 /nfs/dbraw/zinc/85/67/65/635856765.db2.gz FWGZAWJQJWJOIF-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[N@H+]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC000982083993 635856769 /nfs/dbraw/zinc/85/67/69/635856769.db2.gz FWGZAWJQJWJOIF-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NC1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001003629359 636008046 /nfs/dbraw/zinc/00/80/46/636008046.db2.gz ZXKGTRHHNLFOPJ-OAHLLOKOSA-N 1 3 321.509 2.488 20 0 DEADHO CCc1ncc(CN[C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)s1 ZINC000922388286 636141983 /nfs/dbraw/zinc/14/19/83/636141983.db2.gz OPDVPSHAGNODJM-TXCZRRACSA-N 1 3 323.506 2.275 20 0 DEADHO CCc1ncc(CN[C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)s1 ZINC000922388286 636141985 /nfs/dbraw/zinc/14/19/85/636141985.db2.gz OPDVPSHAGNODJM-TXCZRRACSA-N 1 3 323.506 2.275 20 0 DEADHO CC[NH+](CC)C[C@H]1CCN(C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000894105257 636146013 /nfs/dbraw/zinc/14/60/13/636146013.db2.gz NPINUBANQNLAQZ-JKSUJKDBSA-N 1 3 322.497 2.010 20 0 DEADHO COc1ccccc1CN[C@@H]1C[C@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922390156 636152732 /nfs/dbraw/zinc/15/27/32/636152732.db2.gz XTGKHNJUKFOOFB-ZAWLATJESA-N 1 3 318.461 2.265 20 0 DEADHO COc1ccccc1CN[C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922390156 636152735 /nfs/dbraw/zinc/15/27/35/636152735.db2.gz XTGKHNJUKFOOFB-ZAWLATJESA-N 1 3 318.461 2.265 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1CC[NH+](CC2CCC2)CC1 ZINC001004204333 636222796 /nfs/dbraw/zinc/22/27/96/636222796.db2.gz RLRVLLMZMRUCJO-GASCZTMLSA-N 1 3 307.482 2.240 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001028579166 636368976 /nfs/dbraw/zinc/36/89/76/636368976.db2.gz BESVOHBEVJLWQG-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001028579166 636368980 /nfs/dbraw/zinc/36/89/80/636368980.db2.gz BESVOHBEVJLWQG-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001004547573 636484582 /nfs/dbraw/zinc/48/45/82/636484582.db2.gz OSHQWDHAXCZCFH-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001004547573 636484585 /nfs/dbraw/zinc/48/45/85/636484585.db2.gz OSHQWDHAXCZCFH-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001004549202 636484992 /nfs/dbraw/zinc/48/49/92/636484992.db2.gz VETCKMNDVOGYFS-NVXWUHKLSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001004549202 636484997 /nfs/dbraw/zinc/48/49/97/636484997.db2.gz VETCKMNDVOGYFS-NVXWUHKLSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001004547213 636485203 /nfs/dbraw/zinc/48/52/03/636485203.db2.gz MUZKSAUVVVYPAM-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001004547213 636485208 /nfs/dbraw/zinc/48/52/08/636485208.db2.gz MUZKSAUVVVYPAM-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@H]3C)C[C@@]2(C)C1 ZINC000982832473 636495846 /nfs/dbraw/zinc/49/58/46/636495846.db2.gz ZXSBEIDQNNOXQN-AHCXZYCDSA-N 1 3 307.482 2.050 20 0 DEADHO CC[N@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@H]3C)C[C@@]2(C)C1 ZINC000982832473 636495848 /nfs/dbraw/zinc/49/58/48/636495848.db2.gz ZXSBEIDQNNOXQN-AHCXZYCDSA-N 1 3 307.482 2.050 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004615915 636502141 /nfs/dbraw/zinc/50/21/41/636502141.db2.gz JNNQSFURDKYXAO-QGZVFWFLSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004615915 636502146 /nfs/dbraw/zinc/50/21/46/636502146.db2.gz JNNQSFURDKYXAO-QGZVFWFLSA-N 1 3 307.482 2.195 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CCC3)C[C@H]2CC1)N(C)C ZINC000946642259 636516186 /nfs/dbraw/zinc/51/61/86/636516186.db2.gz BSQGOGGMSQUXCE-FGTMMUONSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CC3CCC3)C[C@H]2CC1)N(C)C ZINC000946642259 636516193 /nfs/dbraw/zinc/51/61/93/636516193.db2.gz BSQGOGGMSQUXCE-FGTMMUONSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CN1CCC(C)(C)C1 ZINC001004942618 636615155 /nfs/dbraw/zinc/61/51/55/636615155.db2.gz MHLMYNDXQZTQHN-CVEARBPZSA-N 1 3 309.498 2.486 20 0 DEADHO [NH3+]C[C@H]1CCCN(C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000923282805 637083760 /nfs/dbraw/zinc/08/37/60/637083760.db2.gz XXJBEPPCRZBFIT-TZMCWYRMSA-N 1 3 316.367 2.280 20 0 DEADHO Cc1ccc(Cl)c(OC[C@@H](O)CN[C@@](C)(C[NH3+])C(C)C)c1 ZINC000923300618 637099906 /nfs/dbraw/zinc/09/99/06/637099906.db2.gz XSJMTOJDOCMOGQ-BBRMVZONSA-N 1 3 314.857 2.351 20 0 DEADHO NC1(C[NH2+]C[C@@H](O)COc2cccc3ccccc32)CCC1 ZINC000923332749 637120242 /nfs/dbraw/zinc/12/02/42/637120242.db2.gz MRPOFTDRKXMKLI-OAHLLOKOSA-N 1 3 300.402 2.051 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1C ZINC000923333101 637120437 /nfs/dbraw/zinc/12/04/37/637120437.db2.gz OTXFROSYEHBRMF-BSDSXHPESA-N 1 3 318.461 2.021 20 0 DEADHO CC(C)(C)[C@H](C[NH3+])NC[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000923366983 637138901 /nfs/dbraw/zinc/13/89/01/637138901.db2.gz CFKGFQZYVADYRK-NJAFHUGGSA-N 1 3 320.477 2.405 20 0 DEADHO Cc1cccc(OC[C@H](O)CN2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000923385509 637154240 /nfs/dbraw/zinc/15/42/40/637154240.db2.gz CGEHMMDONPBDAX-JZXOWHBKSA-N 1 3 306.450 2.184 20 0 DEADHO Cc1ccccc1OC[C@H](O)CN1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000923385420 637154385 /nfs/dbraw/zinc/15/43/85/637154385.db2.gz AYVZGHPNTASRJZ-USXIJHARSA-N 1 3 306.450 2.184 20 0 DEADHO CC(C)(C)[C@@]1(C[NH3+])CCN(C[C@H](O)COc2ccccc2)C1 ZINC000923416773 637162189 /nfs/dbraw/zinc/16/21/89/637162189.db2.gz ZKLKPVPWCDHBBB-MAUKXSAKSA-N 1 3 306.450 2.123 20 0 DEADHO CC1(C)[C@H]([NH3+])C[C@H]1NC[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000923420109 637174638 /nfs/dbraw/zinc/17/46/38/637174638.db2.gz GBMZUYAPBSOSIC-BFHYXJOUSA-N 1 3 316.367 2.324 20 0 DEADHO Cc1ccc([C@H](C)NC(=O)CN2CC[C@@H](CC[NH3+])C2)cc1C ZINC000923489621 637208463 /nfs/dbraw/zinc/20/84/63/637208463.db2.gz PYCLCJBARSTFBK-JKSUJKDBSA-N 1 3 303.450 2.151 20 0 DEADHO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[C@H](CC[NH3+])C1 ZINC000923493027 637210428 /nfs/dbraw/zinc/21/04/28/637210428.db2.gz RVMPOOKFXODJNL-ZZNOFCQSSA-N 1 3 319.493 2.131 20 0 DEADHO C[C@H](NC(=O)[C@H](C)N1CC[C@@H](C[NH3+])[C@H](C)C1)c1ccccc1 ZINC000923502369 637213322 /nfs/dbraw/zinc/21/33/22/637213322.db2.gz BLNISIPDVAOYOV-AESZEHBQSA-N 1 3 303.450 2.169 20 0 DEADHO O=C(CN1CCC([C@H]2CCC[NH2+]CC2)CC1)N1CCCCC1 ZINC000923504065 637218764 /nfs/dbraw/zinc/21/87/64/637218764.db2.gz TXSFLBPUVZHANC-INIZCTEOSA-N 1 3 307.482 2.101 20 0 DEADHO CC[C@H](C)NC(=O)[C@@H](C)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923504307 637219979 /nfs/dbraw/zinc/21/99/79/637219979.db2.gz XAHUIBLLEQUYKF-ARFHVFGLSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H](C(=O)N1CCCCC1)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923506485 637220849 /nfs/dbraw/zinc/22/08/49/637220849.db2.gz JBEXENRQKWQYMP-IRXDYDNUSA-N 1 3 321.509 2.489 20 0 DEADHO O=C(CCN1C[C@@H]2CC[NH2+]C[C@@H]2C1)Nc1ccccc1Cl ZINC000923519219 637226770 /nfs/dbraw/zinc/22/67/70/637226770.db2.gz KPUMSXCXIMSLFA-QWHCGFSZSA-N 1 3 307.825 2.210 20 0 DEADHO CCOC(=O)C1(C(F)(F)F)CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000923524500 637229519 /nfs/dbraw/zinc/22/95/19/637229519.db2.gz GNFILTCRVXBINM-GFCCVEGCSA-N 1 3 322.371 2.194 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)[C@@H](C)C1 ZINC000947979665 637234335 /nfs/dbraw/zinc/23/43/35/637234335.db2.gz JPZYYEFXMCSQPQ-XJKSGUPXSA-N 1 3 318.465 2.420 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)[C@@H](C)C1 ZINC000947979665 637234340 /nfs/dbraw/zinc/23/43/40/637234340.db2.gz JPZYYEFXMCSQPQ-XJKSGUPXSA-N 1 3 318.465 2.420 20 0 DEADHO CCOc1ccc(CN(CCOC)CC2CC[NH+](C)CC2)o1 ZINC000895690973 638146665 /nfs/dbraw/zinc/14/66/65/638146665.db2.gz BZCZXFWHYKCVLW-UHFFFAOYSA-N 1 3 310.438 2.469 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2CN)C1 ZINC000841027379 650408267 /nfs/dbraw/zinc/40/82/67/650408267.db2.gz ANQPDQQNJGSRSN-MQYQWHSLSA-N 1 3 318.408 2.461 20 0 DEADHO CC[NH2+][C@H](C)CN[C@H]1CCC[C@H](C(F)(F)C(=O)OCC)C1 ZINC000841063195 650418756 /nfs/dbraw/zinc/41/87/56/650418756.db2.gz FQUCKVBMTOKXOG-AGIUHOORSA-N 1 3 306.397 2.331 20 0 DEADHO C[C@H]1[NH2+]CCC[C@H]1NC1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000841062716 650418900 /nfs/dbraw/zinc/41/89/00/650418900.db2.gz BIZVGHTUAUQFQN-DNVCBOLYSA-N 1 3 316.493 2.452 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H](N)CC3CCCCC3)CC[C@H]21 ZINC000262483172 639280162 /nfs/dbraw/zinc/28/01/62/639280162.db2.gz KCWJLVRMKOSTEW-BRWVUGGUSA-N 1 3 307.482 2.227 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H](N)CC3CCCCC3)CC[C@H]21 ZINC000262483172 639280167 /nfs/dbraw/zinc/28/01/67/639280167.db2.gz KCWJLVRMKOSTEW-BRWVUGGUSA-N 1 3 307.482 2.227 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2=CCCCC2)C1 ZINC001029672504 639409794 /nfs/dbraw/zinc/40/97/94/639409794.db2.gz JOEMBFGYKUKVRY-ZWKOTPCHSA-N 1 3 319.493 2.361 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2=CCCCC2)C1 ZINC001029672504 639409797 /nfs/dbraw/zinc/40/97/97/639409797.db2.gz JOEMBFGYKUKVRY-ZWKOTPCHSA-N 1 3 319.493 2.361 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC([N@H+](C)CC(C)C)CC1 ZINC000985803740 639644438 /nfs/dbraw/zinc/64/44/38/639644438.db2.gz IXBMDJOWUGHZJB-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC([N@@H+](C)CC(C)C)CC1 ZINC000985803740 639644441 /nfs/dbraw/zinc/64/44/41/639644441.db2.gz IXBMDJOWUGHZJB-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CCC([N@H+](C)CCF)CC1 ZINC000985803088 639644536 /nfs/dbraw/zinc/64/45/36/639644536.db2.gz ARPPTWKXYUXTAS-UHFFFAOYSA-N 1 3 321.440 2.254 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CCC([N@@H+](C)CCF)CC1 ZINC000985803088 639644540 /nfs/dbraw/zinc/64/45/40/639644540.db2.gz ARPPTWKXYUXTAS-UHFFFAOYSA-N 1 3 321.440 2.254 20 0 DEADHO CN(CCF)C1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000985803088 639644543 /nfs/dbraw/zinc/64/45/43/639644543.db2.gz ARPPTWKXYUXTAS-UHFFFAOYSA-N 1 3 321.440 2.254 20 0 DEADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1cccc2c1OCO2 ZINC000925240854 639741244 /nfs/dbraw/zinc/74/12/44/639741244.db2.gz LHXDKAFUQOYYNR-ZIAGYGMSSA-N 1 3 308.422 2.423 20 0 DEADHO CC[C@@H](C(=O)N1CCC(C[N@H+](C)CC2CCC2)CC1)N(C)C ZINC001029996600 640024252 /nfs/dbraw/zinc/02/42/52/640024252.db2.gz DUAWCSYZSLBAIV-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C(=O)N1CCC(C[N@@H+](C)CC2CCC2)CC1)N(C)C ZINC001029996600 640024256 /nfs/dbraw/zinc/02/42/56/640024256.db2.gz DUAWCSYZSLBAIV-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO CN(CCNC(=O)N(C)C1CCC([NH3+])CC1)Cc1ccccc1 ZINC000841732184 650553927 /nfs/dbraw/zinc/55/39/27/650553927.db2.gz BJMLFZXZYHKHJN-UHFFFAOYSA-N 1 3 318.465 2.030 20 0 DEADHO CC(C)[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC000987569096 640225291 /nfs/dbraw/zinc/22/52/91/640225291.db2.gz VLXSBQDKJGUNFF-YOEHRIQHSA-N 1 3 303.450 2.349 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc(Cl)n1 ZINC000841848715 650578475 /nfs/dbraw/zinc/57/84/75/650578475.db2.gz QDPODFBTKINFCL-LERXQTSPSA-N 1 3 324.856 2.019 20 0 DEADHO C[C@H](CC(=O)N[C@@H](CN(C)C)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000237373197 640579164 /nfs/dbraw/zinc/57/91/64/640579164.db2.gz CSQPZRAHKMBPNE-NXHRZFHOSA-N 1 3 317.477 2.431 20 0 DEADHO C[C@@H]1C[N@H+](C[C@H]2CC2(Cl)Cl)CC[C@@H]1N1CCN(C)CC1 ZINC000764470143 640641864 /nfs/dbraw/zinc/64/18/64/640641864.db2.gz TYKPQKVNBVEMEK-MCIONIFRSA-N 1 3 320.308 2.138 20 0 DEADHO C[C@@H]1C[N@@H+](C[C@H]2CC2(Cl)Cl)CC[C@@H]1N1CCN(C)CC1 ZINC000764470143 640641867 /nfs/dbraw/zinc/64/18/67/640641867.db2.gz TYKPQKVNBVEMEK-MCIONIFRSA-N 1 3 320.308 2.138 20 0 DEADHO COc1ccc2c(c1)[nH+]ccc2N1CCN(C(C)(C)CO)CC1 ZINC000765504878 640786511 /nfs/dbraw/zinc/78/65/11/640786511.db2.gz CFNWVQQETLWNIU-UHFFFAOYSA-N 1 3 315.417 2.136 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)CN1C(=O)Cc1c[nH]cn1 ZINC000989493335 641123914 /nfs/dbraw/zinc/12/39/14/641123914.db2.gz SIULBLOJEGBQOY-CJNGLKHVSA-N 1 3 316.449 2.112 20 0 DEADHO COc1ccc2c(c1)[nH+]ccc2N1C[C@@H](C)N(CCO)C[C@H]1C ZINC000842046127 650634133 /nfs/dbraw/zinc/63/41/33/650634133.db2.gz PVEJXMLXXFBPKG-ZIAGYGMSSA-N 1 3 315.417 2.135 20 0 DEADHO Cc1cc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)cs1 ZINC000989801086 641229683 /nfs/dbraw/zinc/22/96/83/641229683.db2.gz YBZRWYQFQUNNAM-BBRMVZONSA-N 1 3 321.490 2.231 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CC2CCCCC2)CN1C(=O)CN1CCCC1 ZINC000989795824 641235056 /nfs/dbraw/zinc/23/50/56/641235056.db2.gz CGUDVKHUCOJDAN-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000989827140 641249180 /nfs/dbraw/zinc/24/91/80/641249180.db2.gz YZWDAIFVPCBJNY-PBHICJAKSA-N 1 3 303.450 2.351 20 0 DEADHO COC(=O)COc1c(C)cc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1C ZINC000841057677 641499773 /nfs/dbraw/zinc/49/97/73/641499773.db2.gz LBYHTBRBEQQSKS-HOTGVXAUSA-N 1 3 320.433 2.215 20 0 DEADHO CC[N@@H+]1CC[C@H](NC[C@@H]2CCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000927000862 641572736 /nfs/dbraw/zinc/57/27/36/641572736.db2.gz GDAPUFNUHJDLCB-ILXRZTDVSA-N 1 3 311.470 2.316 20 0 DEADHO CC[N@H+]1CC[C@H](NC[C@@H]2CCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000927000862 641572737 /nfs/dbraw/zinc/57/27/37/641572737.db2.gz GDAPUFNUHJDLCB-ILXRZTDVSA-N 1 3 311.470 2.316 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)c1 ZINC000898839927 641812499 /nfs/dbraw/zinc/81/24/99/641812499.db2.gz FIUCFRBULZCSJS-SJORKVTESA-N 1 3 315.461 2.351 20 0 DEADHO CC1([NH+]2CCC2)CCN(C(=O)[C@@H]2CCN2C2CCCC2)CC1 ZINC000899225188 642002469 /nfs/dbraw/zinc/00/24/69/642002469.db2.gz XPGQNVJKOYVZPB-INIZCTEOSA-N 1 3 305.466 2.090 20 0 DEADHO C[C@@](O)(C[NH2+]CCCN1CCCCC1)C(F)(F)C(F)(F)F ZINC000899861773 642194964 /nfs/dbraw/zinc/19/49/64/642194964.db2.gz YGTNVGPNOMMYIG-LLVKDONJSA-N 1 3 318.330 2.401 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000900333906 642323989 /nfs/dbraw/zinc/32/39/89/642323989.db2.gz FXLDVUVSFFOACV-WBVHZDCISA-N 1 3 313.445 2.034 20 0 DEADHO CN(CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)Cc1ccccc1 ZINC000900338311 642326451 /nfs/dbraw/zinc/32/64/51/642326451.db2.gz VJAOFPUSFRKYGZ-ZWKOTPCHSA-N 1 3 315.461 2.252 20 0 DEADHO CN(CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)Cc1ccccc1 ZINC000900338311 642326459 /nfs/dbraw/zinc/32/64/59/642326459.db2.gz VJAOFPUSFRKYGZ-ZWKOTPCHSA-N 1 3 315.461 2.252 20 0 DEADHO [NH3+]CCCCCCCN1CCNC(=O)C[C@H]1c1ccccc1 ZINC000842472083 650747637 /nfs/dbraw/zinc/74/76/37/650747637.db2.gz QABIPHZENXGMJA-KRWDZBQOSA-N 1 3 303.450 2.459 20 0 DEADHO CN(CC[NH+]1CCCC1)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900559855 642414363 /nfs/dbraw/zinc/41/43/63/642414363.db2.gz GMBJUTGWNDRTOB-UHFFFAOYSA-N 1 3 314.433 2.459 20 0 DEADHO C[C@H](NC(=O)NCCCCCCC[NH+](C)C)C1=CCN(C)CC1 ZINC000781374219 642744424 /nfs/dbraw/zinc/74/44/24/642744424.db2.gz YPAXGHIXXYTJNH-INIZCTEOSA-N 1 3 324.513 2.448 20 0 DEADHO CC1(C)C[NH2+]CC[C@H](NCCCS(=O)(=O)c2ccccc2)C1 ZINC000902318333 642988765 /nfs/dbraw/zinc/98/87/65/642988765.db2.gz HDKCLOVCEYOCCK-HNNXBMFYSA-N 1 3 324.490 2.218 20 0 DEADHO Cc1ccc(C(=O)NCCN[C@H]2CC[NH2+]CC(C)(C)C2)cc1F ZINC000902334254 643008666 /nfs/dbraw/zinc/00/86/66/643008666.db2.gz BUSRESAVRJNRCB-HNNXBMFYSA-N 1 3 321.440 2.232 20 0 DEADHO CO[C@@H]1CCC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000903198272 643283207 /nfs/dbraw/zinc/28/32/07/643283207.db2.gz BTACFMFDUUHXMF-ZWKOTPCHSA-N 1 3 303.450 2.451 20 0 DEADHO O[C@H]1C[C@](CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)(c2ccccc2)C1 ZINC000903275826 643307015 /nfs/dbraw/zinc/30/70/15/643307015.db2.gz DEJZTTXWKNCQEL-FCGDIQPGSA-N 1 3 300.446 2.296 20 0 DEADHO O[C@H]1C[C@](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)(c2ccccc2)C1 ZINC000903275826 643307016 /nfs/dbraw/zinc/30/70/16/643307016.db2.gz DEJZTTXWKNCQEL-FCGDIQPGSA-N 1 3 300.446 2.296 20 0 DEADHO C[N@@H+]1CC[C@H](NC[C@](C)(O)c2cccc(F)c2)[C@@H]2CCC[C@H]21 ZINC000903308623 643315473 /nfs/dbraw/zinc/31/54/73/643315473.db2.gz KDIQSKWXHBRXTJ-FJIDUMEYSA-N 1 3 306.425 2.496 20 0 DEADHO C[N@H+]1CC[C@H](NC[C@](C)(O)c2cccc(F)c2)[C@@H]2CCC[C@H]21 ZINC000903308623 643315476 /nfs/dbraw/zinc/31/54/76/643315476.db2.gz KDIQSKWXHBRXTJ-FJIDUMEYSA-N 1 3 306.425 2.496 20 0 DEADHO CC[C@@H](CN1CCOCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000903342987 643320044 /nfs/dbraw/zinc/32/00/44/643320044.db2.gz LVHMBDNVMXFFGX-KRWDZBQOSA-N 1 3 323.525 2.484 20 0 DEADHO C1CC1[N@H+]1[C@@H]2CC[C@H]1CC(N[C@@H]1CCOC13CCOCC3)C2 ZINC000903390264 643339025 /nfs/dbraw/zinc/33/90/25/643339025.db2.gz QQLGCGGEPOJNEB-CVGRLMLNSA-N 1 3 306.450 2.072 20 0 DEADHO C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC(N[C@@H]1CCOC13CCOCC3)C2 ZINC000903390264 643339027 /nfs/dbraw/zinc/33/90/27/643339027.db2.gz QQLGCGGEPOJNEB-CVGRLMLNSA-N 1 3 306.450 2.072 20 0 DEADHO C[C@@H]1CN([C@@H]2CCCN(c3ccccc3F)C2=O)C[C@H]1CC[NH3+] ZINC000903499196 643365400 /nfs/dbraw/zinc/36/54/00/643365400.db2.gz JJVKSDVNGWTPJE-CKEIUWERSA-N 1 3 319.424 2.238 20 0 DEADHO C[C@@H]1CN(CC(=O)N[C@H](c2ccccc2)C2CC2)C[C@H]1CC[NH3+] ZINC000903495869 643371325 /nfs/dbraw/zinc/37/13/25/643371325.db2.gz ARDVMRWBMPZNLD-LSBZLQRGSA-N 1 3 315.461 2.171 20 0 DEADHO C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903495908 643372025 /nfs/dbraw/zinc/37/20/25/643372025.db2.gz BSLFGXKSHHUDPH-IJLUTSLNSA-N 1 3 311.376 2.209 20 0 DEADHO COc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)c1 ZINC000903506956 643378108 /nfs/dbraw/zinc/37/81/08/643378108.db2.gz GXNCTHSRTLTXPD-HDICACEKSA-N 1 3 315.461 2.096 20 0 DEADHO COc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)c1 ZINC000903506956 643378112 /nfs/dbraw/zinc/37/81/12/643378112.db2.gz GXNCTHSRTLTXPD-HDICACEKSA-N 1 3 315.461 2.096 20 0 DEADHO Cc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)c(C)n1 ZINC000903507307 643378184 /nfs/dbraw/zinc/37/81/84/643378184.db2.gz VSTFAWDLZBZWHX-KDURUIRLSA-N 1 3 314.477 2.099 20 0 DEADHO Cc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)c(C)n1 ZINC000903507307 643378188 /nfs/dbraw/zinc/37/81/88/643378188.db2.gz VSTFAWDLZBZWHX-KDURUIRLSA-N 1 3 314.477 2.099 20 0 DEADHO Cc1ccc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c(C)n1 ZINC000903507307 643378192 /nfs/dbraw/zinc/37/81/92/643378192.db2.gz VSTFAWDLZBZWHX-KDURUIRLSA-N 1 3 314.477 2.099 20 0 DEADHO C[C@H]1CCCN(C(=O)C2CCN(C[C@H]3CCCC[NH2+]C3)CC2)C1 ZINC000903723620 643440022 /nfs/dbraw/zinc/44/00/22/643440022.db2.gz XBRBCMANJAEDFG-IRXDYDNUSA-N 1 3 321.509 2.347 20 0 DEADHO FC(F)(F)C1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903723867 643440040 /nfs/dbraw/zinc/44/00/40/643440040.db2.gz JCWXFNSQGWKNSP-ZDUSSCGKSA-N 1 3 306.372 2.419 20 0 DEADHO CC(C)(C)C(=O)NC[C@@H]1CCCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903729704 643441446 /nfs/dbraw/zinc/44/14/46/643441446.db2.gz QVDKZHIFADTGBQ-HOTGVXAUSA-N 1 3 309.498 2.250 20 0 DEADHO Cc1nn(C)cc1[C@H]1CCCN1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903740275 643450742 /nfs/dbraw/zinc/45/07/42/643450742.db2.gz FRBAYHBPTYRANZ-NVXWUHKLSA-N 1 3 318.465 2.024 20 0 DEADHO Cc1cc(C)nc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000903774857 643458377 /nfs/dbraw/zinc/45/83/77/643458377.db2.gz AOQJDAGMJZZUJQ-GOSISDBHSA-N 1 3 303.450 2.289 20 0 DEADHO Cc1c(C[C@@H](CN)C[NH2+]CCc2c(C)cccc2C)cnn1C ZINC000903922735 643508734 /nfs/dbraw/zinc/50/87/34/643508734.db2.gz DCAJQEMBSLBFIA-KRWDZBQOSA-N 1 3 314.477 2.295 20 0 DEADHO Cc1c(C[C@H](CN)C[NH2+][C@H]2C[C@H]2C2CCCCC2)cnn1C ZINC000903925608 643509757 /nfs/dbraw/zinc/50/97/57/643509757.db2.gz HGBBREYWRSHSBY-JLSDUUJJSA-N 1 3 304.482 2.404 20 0 DEADHO Cc1c(C[C@H](CN)C[N@@H+]2CCC[C@@H](C3CCC3)C2)cnn1C ZINC000903933009 643514145 /nfs/dbraw/zinc/51/41/45/643514145.db2.gz JPMZVOZVEWMXFM-NVXWUHKLSA-N 1 3 304.482 2.358 20 0 DEADHO Cc1c(C[C@H](CN)C[N@H+]2CCC[C@@H](C3CCC3)C2)cnn1C ZINC000903933009 643514150 /nfs/dbraw/zinc/51/41/50/643514150.db2.gz JPMZVOZVEWMXFM-NVXWUHKLSA-N 1 3 304.482 2.358 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H]1CCNCc1c(Cl)n(C)nc1C(F)(F)F ZINC000903973908 643531778 /nfs/dbraw/zinc/53/17/78/643531778.db2.gz IVDOZZDJWFJMLZ-RKDXNWHRSA-N 1 3 324.778 2.428 20 0 DEADHO COc1ccc(CN2CCC3(CO[C@H](C[NH3+])C3)CC2)c(OC)c1 ZINC000904389140 643651711 /nfs/dbraw/zinc/65/17/11/643651711.db2.gz IHJPZRQOLXRMEE-INIZCTEOSA-N 1 3 320.433 2.034 20 0 DEADHO O[C@H](CNCc1ccccc1C[NH+]1CCCCC1)C1(O)CCC1 ZINC000905022673 643774586 /nfs/dbraw/zinc/77/45/86/643774586.db2.gz CCIDXVARRDNLKP-GOSISDBHSA-N 1 3 318.461 2.038 20 0 DEADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC[C@@](C)(O)C(F)F ZINC000905400283 643894872 /nfs/dbraw/zinc/89/48/72/643894872.db2.gz QHKCKPMAZVJMFA-UKPHBRMFSA-N 1 3 312.404 2.360 20 0 DEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC[C@@](C)(O)C(F)F ZINC000905400283 643894874 /nfs/dbraw/zinc/89/48/74/643894874.db2.gz QHKCKPMAZVJMFA-UKPHBRMFSA-N 1 3 312.404 2.360 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@](C)(O)C(F)F ZINC000905400283 643894877 /nfs/dbraw/zinc/89/48/77/643894877.db2.gz QHKCKPMAZVJMFA-UKPHBRMFSA-N 1 3 312.404 2.360 20 0 DEADHO CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000906081526 644131729 /nfs/dbraw/zinc/13/17/29/644131729.db2.gz AHVMBFAOGUKNFU-DJIMGWMZSA-N 1 3 303.450 2.312 20 0 DEADHO COC(=O)COc1c(C)cc(CN[C@H](C)C[C@@H](C)[NH3+])cc1C ZINC000843129940 650903034 /nfs/dbraw/zinc/90/30/34/650903034.db2.gz UZOPPJXQCGUCNE-ZIAGYGMSSA-N 1 3 308.422 2.071 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000907762673 644635693 /nfs/dbraw/zinc/63/56/93/644635693.db2.gz MJLASZMXGGRDMJ-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000907762673 644635695 /nfs/dbraw/zinc/63/56/95/644635695.db2.gz MJLASZMXGGRDMJ-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1cc(=O)oc2cc(OCCN[C@@](C)(C[NH3+])C(C)C)ccc12 ZINC000843356015 650956482 /nfs/dbraw/zinc/95/64/82/650956482.db2.gz ASLGRFBJHSHKEY-SFHVURJKSA-N 1 3 318.417 2.443 20 0 DEADHO O[C@H](C[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1)c1ccc(F)cn1 ZINC000799310447 645154545 /nfs/dbraw/zinc/15/45/45/645154545.db2.gz YCISHHREERTSTI-JEBQAFNWSA-N 1 3 319.424 2.203 20 0 DEADHO O[C@H](C[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1)c1ccc(F)cn1 ZINC000799310447 645154546 /nfs/dbraw/zinc/15/45/46/645154546.db2.gz YCISHHREERTSTI-JEBQAFNWSA-N 1 3 319.424 2.203 20 0 DEADHO COc1ccccc1[C@H](N)CNC(=O)[C@@H]([NH3+])C1CCCCCC1 ZINC000911664276 645769058 /nfs/dbraw/zinc/76/90/58/645769058.db2.gz KZEFAGJYNIOXCP-WBVHZDCISA-N 1 3 319.449 2.109 20 0 DEADHO CC(C)C(=O)CC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000808741368 646136607 /nfs/dbraw/zinc/13/66/07/646136607.db2.gz FKBRHJAVSWYSLS-UHFFFAOYSA-N 1 3 309.498 2.092 20 0 DEADHO Cc1cc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)c(C)o1 ZINC000809737658 646272507 /nfs/dbraw/zinc/27/25/07/646272507.db2.gz YQQUBCRPIIWIGW-UHFFFAOYSA-N 1 3 305.466 2.356 20 0 DEADHO C[NH+](C)C1CCC(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000817484905 647303257 /nfs/dbraw/zinc/30/32/57/647303257.db2.gz GTXBZYKZXWVAAU-KVULBXGLSA-N 1 3 313.461 2.188 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000817890414 647371888 /nfs/dbraw/zinc/37/18/88/647371888.db2.gz SZRYLSUKYJCUAZ-APPDUMDISA-N 1 3 303.381 2.372 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H](O)c1ccc2ccccc2c1 ZINC000817905447 647378023 /nfs/dbraw/zinc/37/80/23/647378023.db2.gz NJIBRNMYPSYGNR-NOENWEJRSA-N 1 3 314.429 2.215 20 0 DEADHO NC[C@H]1CCCC[C@@H]1[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000817924685 647382886 /nfs/dbraw/zinc/38/28/86/647382886.db2.gz JMQVTWKWYUHUDG-YKWDICOMSA-N 1 3 303.450 2.319 20 0 DEADHO CC(C)C[C@H](CN)[NH2+][C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000817958188 647393999 /nfs/dbraw/zinc/39/39/99/647393999.db2.gz INDRYDAWZMPHHR-UHOSZYNNSA-N 1 3 319.493 2.239 20 0 DEADHO Cc1ccccc1[C@@H](O)C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000819085417 647580174 /nfs/dbraw/zinc/58/01/74/647580174.db2.gz UZHTXHOJPHSPBC-LPHOPBHVSA-N 1 3 318.461 2.119 20 0 DEADHO CCCCCC[C@H](O)CNC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000819085340 647580346 /nfs/dbraw/zinc/58/03/46/647580346.db2.gz UJGDRXDVHSZPHW-WMZOPIPTSA-N 1 3 312.498 2.408 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccnc(Cl)c2)CC1 ZINC000154288387 647971241 /nfs/dbraw/zinc/97/12/41/647971241.db2.gz FMPTWTOOPMTALW-AWEZNQCLSA-N 1 3 310.873 2.413 20 0 DEADHO OC[C@H](CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)Cc1ccco1 ZINC000925477460 648204478 /nfs/dbraw/zinc/20/44/78/648204478.db2.gz QYAZXOCFRZKSNQ-QGTPRVQTSA-N 1 3 306.450 2.189 20 0 DEADHO OC[C@H](C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1)Cc1ccco1 ZINC000925477460 648204480 /nfs/dbraw/zinc/20/44/80/648204480.db2.gz QYAZXOCFRZKSNQ-QGTPRVQTSA-N 1 3 306.450 2.189 20 0 DEADHO CN(CC(=O)N1CCCC2(CC[NH+](C)CC2)C1)CC(C)(C)C ZINC000822661625 648256106 /nfs/dbraw/zinc/25/61/06/648256106.db2.gz RYTKAOBGURWRCC-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO [NH3+][C@H](CC(=O)NC[C@@H](c1cccs1)N1CCCC1)C1CC1 ZINC000825796094 648812598 /nfs/dbraw/zinc/81/25/98/648812598.db2.gz VCHYHVXKQYQNDH-KGLIPLIRSA-N 1 3 307.463 2.129 20 0 DEADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1ccnc(Cl)c1F ZINC000826903537 648944644 /nfs/dbraw/zinc/94/46/44/648944644.db2.gz QNMBDSYDZVBFCS-LBPRGKRZSA-N 1 3 316.852 2.236 20 0 DEADHO CC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000945029580 649600838 /nfs/dbraw/zinc/60/08/38/649600838.db2.gz TYNGPUFYAUFUAZ-YOEHRIQHSA-N 1 3 303.450 2.208 20 0 DEADHO CC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000945029580 649600841 /nfs/dbraw/zinc/60/08/41/649600841.db2.gz TYNGPUFYAUFUAZ-YOEHRIQHSA-N 1 3 303.450 2.208 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000847295469 651387049 /nfs/dbraw/zinc/38/70/49/651387049.db2.gz UHWQMVRZMXQXEZ-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO COC(=O)/C=C\c1ccc(CNCCC2CC[NH+](C)CC2)o1 ZINC000848894101 651549128 /nfs/dbraw/zinc/54/91/28/651549128.db2.gz CFQKWCGUCWLYOZ-WAYWQWQTSA-N 1 3 306.406 2.287 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cnccc1C(C)(C)C ZINC000849041793 651592882 /nfs/dbraw/zinc/59/28/82/651592882.db2.gz OFDKMTUNERUBGB-HNNXBMFYSA-N 1 3 317.481 2.477 20 0 DEADHO CC(C)[C@H]([NH3+])CCN[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000854230388 652662751 /nfs/dbraw/zinc/66/27/51/652662751.db2.gz OHTNNJRLBVYYJI-BHIYHBOVSA-N 1 3 319.493 2.239 20 0 DEADHO CCCN(C)CC(=O)NC1(C[NH2+]CC2CC(C)C2)CCCC1 ZINC001391776218 1156799405 /nfs/dbraw/zinc/79/94/05/1156799405.db2.gz MQTYTHCRNLASLI-UHFFFAOYSA-N 1 3 309.498 2.393 20 0 DEADHO CC[C@H](C)C[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001392836291 1157458427 /nfs/dbraw/zinc/45/84/27/1157458427.db2.gz OHOPTMSEQKQHSM-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C)C[N@H+]1CC[C@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001392836291 1157458434 /nfs/dbraw/zinc/45/84/34/1157458434.db2.gz OHOPTMSEQKQHSM-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](CC2CCCC2)[C@H](C)C1 ZINC001393788799 1157982272 /nfs/dbraw/zinc/98/22/72/1157982272.db2.gz PRHXHCTZCMTZOL-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)[C@H](C)C1 ZINC001393788799 1157982289 /nfs/dbraw/zinc/98/22/89/1157982289.db2.gz PRHXHCTZCMTZOL-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1[NH2+]CC1CCC1 ZINC001375288987 1158427604 /nfs/dbraw/zinc/42/76/04/1158427604.db2.gz QMKIZOHGKXJRTL-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H]1C ZINC001394669844 1158662759 /nfs/dbraw/zinc/66/27/59/1158662759.db2.gz KYPVHLJHYWPVSB-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)CCCCC[NH3+])CN1Cc1ccccc1 ZINC000155795307 684280238 /nfs/dbraw/zinc/28/02/38/684280238.db2.gz UYYZFQHCRTXEST-WBVHZDCISA-N 1 3 303.450 2.285 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](CC3CC3)C2)C1)C1CC1 ZINC001054145180 693862401 /nfs/dbraw/zinc/86/24/01/693862401.db2.gz MBQHGNLIZDCKHB-IEBWSBKVSA-N 1 3 319.493 2.051 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@]2(CC[N@@H+](CC3CC3)C2)C1)C1CC1 ZINC001054145180 693862405 /nfs/dbraw/zinc/86/24/05/693862405.db2.gz MBQHGNLIZDCKHB-IEBWSBKVSA-N 1 3 319.493 2.051 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205313 693882929 /nfs/dbraw/zinc/88/29/29/693882929.db2.gz OUXSSAIUJGSBGF-SFHVURJKSA-N 1 3 316.449 2.233 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205313 693882932 /nfs/dbraw/zinc/88/29/32/693882932.db2.gz OUXSSAIUJGSBGF-SFHVURJKSA-N 1 3 316.449 2.233 20 0 DEADHO O=C1OC[C@@H]2CN(Cc3cccc(C[NH+]4CCCCC4)c3)C[C@H]12 ZINC000860167104 685894421 /nfs/dbraw/zinc/89/44/21/685894421.db2.gz AAYVHBPNHRAXPT-ROUUACIJSA-N 1 3 314.429 2.277 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]CC1CCCCC1 ZINC001054736762 694035348 /nfs/dbraw/zinc/03/53/48/694035348.db2.gz NPAWRBLWLCWVSO-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001054740014 694036545 /nfs/dbraw/zinc/03/65/45/694036545.db2.gz UTFZMGPAKICQQB-GOEBONIOSA-N 1 3 321.509 2.343 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(CCCF)C1 ZINC001015971622 687485506 /nfs/dbraw/zinc/48/55/06/687485506.db2.gz CCCKRIWGOXROAC-JKSUJKDBSA-N 1 3 313.461 2.191 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(CCCF)C1 ZINC001015971622 687485509 /nfs/dbraw/zinc/48/55/09/687485509.db2.gz CCCKRIWGOXROAC-JKSUJKDBSA-N 1 3 313.461 2.191 20 0 DEADHO C[C@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000866270798 687516334 /nfs/dbraw/zinc/51/63/34/687516334.db2.gz VPQCDNQALPGWQR-SUMWQHHRSA-N 1 3 306.425 2.495 20 0 DEADHO CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001016611580 687665166 /nfs/dbraw/zinc/66/51/66/687665166.db2.gz DSRGOHZLHVQQAP-HZPDHXFCSA-N 1 3 307.482 2.240 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CC(C)C)CC2 ZINC001016650720 687674393 /nfs/dbraw/zinc/67/43/93/687674393.db2.gz AWZPRFANHSQHAV-SJORKVTESA-N 1 3 321.509 2.488 20 0 DEADHO CC[NH+]1CCC2(C[C@H]2NC(=O)c2ccccc2CN(C)C)CC1 ZINC001016982869 687749243 /nfs/dbraw/zinc/74/92/43/687749243.db2.gz MSFFGXPDVWTIJJ-QGZVFWFLSA-N 1 3 315.461 2.352 20 0 DEADHO CC[C@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)N(C)C ZINC001017904937 687994879 /nfs/dbraw/zinc/99/48/79/687994879.db2.gz IQNQIUMQQGYZJX-MWDXBVQZSA-N 1 3 309.498 2.294 20 0 DEADHO CC[C@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)N(C)C ZINC001017904937 687994884 /nfs/dbraw/zinc/99/48/84/687994884.db2.gz IQNQIUMQQGYZJX-MWDXBVQZSA-N 1 3 309.498 2.294 20 0 DEADHO Cc1ccc(C)c(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c1 ZINC001018628824 688188846 /nfs/dbraw/zinc/18/88/46/688188846.db2.gz QYQMLLKOSAQGBS-ROUUACIJSA-N 1 3 315.461 2.088 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C1)C1CC1 ZINC001018966870 688262885 /nfs/dbraw/zinc/26/28/85/688262885.db2.gz VTBDIZMHHQJZLS-ZWKOTPCHSA-N 1 3 319.493 2.408 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001019241612 688305308 /nfs/dbraw/zinc/30/53/08/688305308.db2.gz OINHVGUTSPKHDT-SOLBZPMBSA-N 1 3 315.461 2.341 20 0 DEADHO CC[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)c1ccccc1 ZINC001019241661 688305734 /nfs/dbraw/zinc/30/57/34/688305734.db2.gz RTRPVIGIXQBJDX-OKZBNKHCSA-N 1 3 315.461 2.422 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC001019382834 688343567 /nfs/dbraw/zinc/34/35/67/688343567.db2.gz MIDUVDKAVDIXKU-WMZOPIPTSA-N 1 3 315.461 2.027 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC[C@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001019386375 688344303 /nfs/dbraw/zinc/34/43/03/688344303.db2.gz MMGCZSPSRNTZOV-KRWDZBQOSA-N 1 3 319.493 2.409 20 0 DEADHO C([C@@H]1CC2(CO1)CCOCC2)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000872143410 688935029 /nfs/dbraw/zinc/93/50/29/688935029.db2.gz RTHJBXAVZRVLEW-ULQDDVLXSA-N 1 3 308.466 2.036 20 0 DEADHO CCC(CC)CN1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+]1CCC2 ZINC001032497924 689167918 /nfs/dbraw/zinc/16/79/18/689167918.db2.gz DRYYLUHPGOVYRN-IRXDYDNUSA-N 1 3 319.493 2.336 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873217899 689185971 /nfs/dbraw/zinc/18/59/71/689185971.db2.gz UHWYDWAWBKPTLO-CQSZACIVSA-N 1 3 301.438 2.498 20 0 DEADHO COc1cccc2c1OC[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)C2 ZINC000873241098 689192020 /nfs/dbraw/zinc/19/20/20/689192020.db2.gz BWZKXYYDJXBMGB-LSDHHAIUSA-N 1 3 304.434 2.367 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC(C)(C)C)N(C)C ZINC001032611487 689201004 /nfs/dbraw/zinc/20/10/04/689201004.db2.gz KFYXOOGHJHOJBO-HRCADAONSA-N 1 3 309.498 2.294 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC(C)(C)C)N(C)C ZINC001032611487 689201006 /nfs/dbraw/zinc/20/10/06/689201006.db2.gz KFYXOOGHJHOJBO-HRCADAONSA-N 1 3 309.498 2.294 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CC1 ZINC001032664092 689218060 /nfs/dbraw/zinc/21/80/60/689218060.db2.gz PVUKXMSBNCKDEV-BZSNNMDCSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CC1 ZINC001032664092 689218063 /nfs/dbraw/zinc/21/80/63/689218063.db2.gz PVUKXMSBNCKDEV-BZSNNMDCSA-N 1 3 319.493 2.335 20 0 DEADHO CN(C(=O)C(C)(C)N1CCCC1)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001033317909 689460591 /nfs/dbraw/zinc/46/05/91/689460591.db2.gz DWXXUZREGAWERW-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C(=O)C(C)(C)N1CCCC1)[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033317909 689460593 /nfs/dbraw/zinc/46/05/93/689460593.db2.gz DWXXUZREGAWERW-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001033472044 689513178 /nfs/dbraw/zinc/51/31/78/689513178.db2.gz QYZBGHDJOWWQAN-SJORKVTESA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001033472044 689513180 /nfs/dbraw/zinc/51/31/80/689513180.db2.gz QYZBGHDJOWWQAN-SJORKVTESA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H]2[C@@H]1CCCN2C)[NH+]1CCCCC1 ZINC000874846546 689517002 /nfs/dbraw/zinc/51/70/02/689517002.db2.gz YINSRONTHBXOCI-IXDOHACOSA-N 1 3 307.482 2.192 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876728664 689918481 /nfs/dbraw/zinc/91/84/81/689918481.db2.gz RVOXYGVIHSQGOH-IUODEOHRSA-N 1 3 305.422 2.069 20 0 DEADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cc(CN(C)C)ccc1C ZINC000876774189 689933304 /nfs/dbraw/zinc/93/33/04/689933304.db2.gz OBEVPWMYXGYOJC-ILNYKDOHSA-N 1 3 301.434 2.407 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]CC3CCC3)CC2)C1 ZINC001034733265 689936159 /nfs/dbraw/zinc/93/61/59/689936159.db2.gz ABOJDJHVPBUAHE-XIRDDKMYSA-N 1 3 307.482 2.145 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(F)c1 ZINC001034885170 689977831 /nfs/dbraw/zinc/97/78/31/689977831.db2.gz PWLKYVOICGNEDG-SJORKVTESA-N 1 3 319.424 2.001 20 0 DEADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CC2CCCC2)C1 ZINC001035048835 690020993 /nfs/dbraw/zinc/02/09/93/690020993.db2.gz YMDKLUISWZWZDF-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@@H](C(=O)N1CCC2(CC[N@H+](CC3CCC3)C2)CC1)N(C)C ZINC001035229291 690066870 /nfs/dbraw/zinc/06/68/70/690066870.db2.gz GFZQBVUAYBCORI-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)N1CCC2(CC[N@@H+](CC3CCC3)C2)CC1)N(C)C ZINC001035229291 690066872 /nfs/dbraw/zinc/06/68/72/690066872.db2.gz GFZQBVUAYBCORI-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO O=C(CN1CCCC1)N1CCC2(CC[N@H+](CCC3CC3)C2)CC1 ZINC001035254836 690075420 /nfs/dbraw/zinc/07/54/20/690075420.db2.gz TUDJBWINPHPETQ-UHFFFAOYSA-N 1 3 319.493 2.197 20 0 DEADHO O=C(CN1CCCC1)N1CCC2(CC[N@@H+](CCC3CC3)C2)CC1 ZINC001035254836 690075422 /nfs/dbraw/zinc/07/54/22/690075422.db2.gz TUDJBWINPHPETQ-UHFFFAOYSA-N 1 3 319.493 2.197 20 0 DEADHO C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H]2Cc3ccccc3CN2)cc1 ZINC000877341607 690081488 /nfs/dbraw/zinc/08/14/88/690081488.db2.gz UZSBELVSQBMOBP-ACJLOTCBSA-N 1 3 309.413 2.151 20 0 DEADHO CCCC[NH+]1CC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001035722415 690160839 /nfs/dbraw/zinc/16/08/39/690160839.db2.gz SSIRZWMEPFICCS-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC2(C[NH+](CCC3CC3)C2)CC1)C1CC1 ZINC001035721148 690160850 /nfs/dbraw/zinc/16/08/50/690160850.db2.gz QVIIJHDUOKELQS-QGZVFWFLSA-N 1 3 319.493 2.051 20 0 DEADHO CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2 ZINC001035787356 690176064 /nfs/dbraw/zinc/17/60/64/690176064.db2.gz NNJVQHKTNYLXCB-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@H](CC)N(C)C)CC2 ZINC001035796777 690179154 /nfs/dbraw/zinc/17/91/54/690179154.db2.gz NCXNWJJLCGGKLP-CVEARBPZSA-N 1 3 309.498 2.297 20 0 DEADHO Cn1ncc2cc(CN3CCC4(CC3)CC[NH+](C)CC4)cnc21 ZINC000877683411 690189907 /nfs/dbraw/zinc/18/99/07/690189907.db2.gz AOWQRXVQNZGVSZ-UHFFFAOYSA-N 1 3 313.449 2.276 20 0 DEADHO C[C@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@H]1[NH2+]CCF ZINC001036305516 690316373 /nfs/dbraw/zinc/31/63/73/690316373.db2.gz UHBQEPLIRBPMFL-WMLDXEAASA-N 1 3 321.440 2.158 20 0 DEADHO C[C@@H]([NH2+]CC1CC1)[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001036449725 690352842 /nfs/dbraw/zinc/35/28/42/690352842.db2.gz GXECHYSRKGEDSA-WBVHZDCISA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H](NC[C@H](O)CC1(O)CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000878412249 690400739 /nfs/dbraw/zinc/40/07/39/690400739.db2.gz UFKIYPJGJJWQPX-XYJFISCASA-N 1 3 324.509 2.285 20 0 DEADHO C[C@H](NC[C@H](O)CC1(O)CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000878412249 690400743 /nfs/dbraw/zinc/40/07/43/690400743.db2.gz UFKIYPJGJJWQPX-XYJFISCASA-N 1 3 324.509 2.285 20 0 DEADHO CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@H]21 ZINC001036717529 690443561 /nfs/dbraw/zinc/44/35/61/690443561.db2.gz XAZPTXWAKRFWCN-HZPDHXFCSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@H]21 ZINC001036717529 690443564 /nfs/dbraw/zinc/44/35/64/690443564.db2.gz XAZPTXWAKRFWCN-HZPDHXFCSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@@H]21 ZINC001036736341 690452098 /nfs/dbraw/zinc/45/20/98/690452098.db2.gz YOIXGKBYNBRMJE-IRXDYDNUSA-N 1 3 319.493 2.360 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@@H]21 ZINC001036736341 690452100 /nfs/dbraw/zinc/45/21/00/690452100.db2.gz YOIXGKBYNBRMJE-IRXDYDNUSA-N 1 3 319.493 2.360 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)CC[C@H]21 ZINC001036736625 690452830 /nfs/dbraw/zinc/45/28/30/690452830.db2.gz CNYIMELZSYOSMH-SJLPKXTDSA-N 1 3 319.493 2.360 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)CC[C@H]21 ZINC001036736625 690452833 /nfs/dbraw/zinc/45/28/33/690452833.db2.gz CNYIMELZSYOSMH-SJLPKXTDSA-N 1 3 319.493 2.360 20 0 DEADHO CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CC1CC1 ZINC001037853154 690623741 /nfs/dbraw/zinc/62/37/41/690623741.db2.gz NTHPEAASJCFIES-HZPDHXFCSA-N 1 3 307.482 2.097 20 0 DEADHO CN1CC[C@@H]2C[N@H+](C[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000879571486 690676155 /nfs/dbraw/zinc/67/61/55/690676155.db2.gz AJKHFKALZBNNKJ-BZUAXINKSA-N 1 3 323.481 2.269 20 0 DEADHO CN1CC[C@@H]2C[N@@H+](C[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000879571486 690676156 /nfs/dbraw/zinc/67/61/56/690676156.db2.gz AJKHFKALZBNNKJ-BZUAXINKSA-N 1 3 323.481 2.269 20 0 DEADHO CC(C)N1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038250338 690758635 /nfs/dbraw/zinc/75/86/35/690758635.db2.gz ZWLQQBVPPZQTFQ-DOTOQJQBSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038250338 690758638 /nfs/dbraw/zinc/75/86/38/690758638.db2.gz ZWLQQBVPPZQTFQ-DOTOQJQBSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2CCC2=CCCCC2)CC[N@@H+]1C ZINC001038266860 690762676 /nfs/dbraw/zinc/76/26/76/690762676.db2.gz WGVOSVKEKDQEFD-BPQIPLTHSA-N 1 3 319.493 2.408 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2CCC2=CCCCC2)CC[N@H+]1C ZINC001038266860 690762680 /nfs/dbraw/zinc/76/26/80/690762680.db2.gz WGVOSVKEKDQEFD-BPQIPLTHSA-N 1 3 319.493 2.408 20 0 DEADHO CC(C)CCN1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001038346135 690789460 /nfs/dbraw/zinc/78/94/60/690789460.db2.gz OXCDLNNLQUWFBZ-IRXDYDNUSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)CCN1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001038346135 690789462 /nfs/dbraw/zinc/78/94/62/690789462.db2.gz OXCDLNNLQUWFBZ-IRXDYDNUSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)CN1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001038348969 690790611 /nfs/dbraw/zinc/79/06/11/690790611.db2.gz DRRYCCHXFXDJGG-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)CN1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001038348969 690790614 /nfs/dbraw/zinc/79/06/14/690790614.db2.gz DRRYCCHXFXDJGG-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCCN1C(C)C ZINC001039447165 691107913 /nfs/dbraw/zinc/10/79/13/691107913.db2.gz AOJCLAKDEPXHBF-IXDOHACOSA-N 1 3 307.482 2.335 20 0 DEADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCCN1C(C)C ZINC001039447165 691107915 /nfs/dbraw/zinc/10/79/15/691107915.db2.gz AOJCLAKDEPXHBF-IXDOHACOSA-N 1 3 307.482 2.335 20 0 DEADHO C=C/C=C/CCNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000881567662 691123817 /nfs/dbraw/zinc/12/38/17/691123817.db2.gz QTLMBJSEJINPHL-AATRIKPKSA-N 1 3 319.493 2.431 20 0 DEADHO CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040240269 691218533 /nfs/dbraw/zinc/21/85/33/691218533.db2.gz DFLAZUPHRREDON-QGZVFWFLSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040240269 691218536 /nfs/dbraw/zinc/21/85/36/691218536.db2.gz DFLAZUPHRREDON-QGZVFWFLSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040241107 691219078 /nfs/dbraw/zinc/21/90/78/691219078.db2.gz LSGCAALDTNPYJR-GOSISDBHSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[N@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040241107 691219081 /nfs/dbraw/zinc/21/90/81/691219081.db2.gz LSGCAALDTNPYJR-GOSISDBHSA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](CC)CC2 ZINC001040953552 691300202 /nfs/dbraw/zinc/30/02/02/691300202.db2.gz PEYQBIRDISUAOP-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO CCC(CC)C[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041715983 691415005 /nfs/dbraw/zinc/41/50/05/691415005.db2.gz YIAMFKBXKZLNPV-SFHVURJKSA-N 1 3 318.465 2.313 20 0 DEADHO CCC(CC)C[N@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041715983 691415006 /nfs/dbraw/zinc/41/50/06/691415006.db2.gz YIAMFKBXKZLNPV-SFHVURJKSA-N 1 3 318.465 2.313 20 0 DEADHO C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CCC2(CCOCC2)CO1 ZINC000883262070 691467956 /nfs/dbraw/zinc/46/79/56/691467956.db2.gz VNPDJXBTWVAPEX-GOSISDBHSA-N 1 3 322.493 2.426 20 0 DEADHO CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@H]21 ZINC001042368970 691584233 /nfs/dbraw/zinc/58/42/33/691584233.db2.gz UEGWGLHSANOAQP-MAUKXSAKSA-N 1 3 315.461 2.305 20 0 DEADHO CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@H]21 ZINC001042368970 691584234 /nfs/dbraw/zinc/58/42/34/691584234.db2.gz UEGWGLHSANOAQP-MAUKXSAKSA-N 1 3 315.461 2.305 20 0 DEADHO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000884176873 691674359 /nfs/dbraw/zinc/67/43/59/691674359.db2.gz SPVBSTTZJAKVPQ-HZPDHXFCSA-N 1 3 305.466 2.415 20 0 DEADHO CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000884178681 691675189 /nfs/dbraw/zinc/67/51/89/691675189.db2.gz RXSFJHZYNUWXFO-IAGOWNOFSA-N 1 3 315.461 2.185 20 0 DEADHO [NH3+][C@H](CC1CC1)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000884189696 691678162 /nfs/dbraw/zinc/67/81/62/691678162.db2.gz LCUXKNUWQAEPCG-MSOLQXFVSA-N 1 3 315.461 2.457 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H](N)CC2CC2)C1 ZINC000884205480 691682449 /nfs/dbraw/zinc/68/24/49/691682449.db2.gz XUYBJZZHXRIZIF-OIISXLGYSA-N 1 3 307.482 2.227 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H](N)CC2CC2)C1 ZINC000884205480 691682452 /nfs/dbraw/zinc/68/24/52/691682452.db2.gz XUYBJZZHXRIZIF-OIISXLGYSA-N 1 3 307.482 2.227 20 0 DEADHO C[NH2+]CCOc1ccccc1C(=O)Nc1ccc2c(c1)CNC2 ZINC000884300199 691704076 /nfs/dbraw/zinc/70/40/76/691704076.db2.gz RJDDOGZANAVCLO-UHFFFAOYSA-N 1 3 311.385 2.140 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CCC2CC2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001044741402 691880874 /nfs/dbraw/zinc/88/08/74/691880874.db2.gz ACYFRUUBOGXEKZ-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1)C1CC1 ZINC001045067128 691934995 /nfs/dbraw/zinc/93/49/95/691934995.db2.gz GRGZBDMYJLEZNI-ZWKOTPCHSA-N 1 3 315.461 2.107 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001045217947 691952931 /nfs/dbraw/zinc/95/29/31/691952931.db2.gz DPJQCFHULCUCMJ-INIZCTEOSA-N 1 3 302.422 2.033 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]1C[NH2+][C@@H]1CCc2ccccc21 ZINC001045218538 691953111 /nfs/dbraw/zinc/95/31/11/691953111.db2.gz SLEVROIWGIVEKO-FUHWJXTLSA-N 1 3 324.428 2.220 20 0 DEADHO C[C@H](C[NH2+][C@@H]1CCOC2(CCOCC2)C1)CN1CCCCC1 ZINC000885927797 691964224 /nfs/dbraw/zinc/96/42/24/691964224.db2.gz YHFSRMVDRRZQLO-IAGOWNOFSA-N 1 3 310.482 2.426 20 0 DEADHO OC[C@@H](C[C@@H]1CCCO1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000886224025 692028996 /nfs/dbraw/zinc/02/89/96/692028996.db2.gz UQRQBQAXDMBJIE-AEFFLSMTSA-N 1 3 310.482 2.303 20 0 DEADHO OC[C@@H](C[C@@H]1CCCO1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000886224025 692029000 /nfs/dbraw/zinc/02/90/00/692029000.db2.gz UQRQBQAXDMBJIE-AEFFLSMTSA-N 1 3 310.482 2.303 20 0 DEADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886619103 692135057 /nfs/dbraw/zinc/13/50/57/692135057.db2.gz SGEXBQCPERXNOK-MJBXVCDLSA-N 1 3 308.388 2.352 20 0 DEADHO CC(C)N(C)C[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886619103 692135061 /nfs/dbraw/zinc/13/50/61/692135061.db2.gz SGEXBQCPERXNOK-MJBXVCDLSA-N 1 3 308.388 2.352 20 0 DEADHO C[C@@H]([NH2+]CC1CC(C)(C)C1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048067119 692542137 /nfs/dbraw/zinc/54/21/37/692542137.db2.gz ROBTUCMPXUSRQO-WBVHZDCISA-N 1 3 321.509 2.345 20 0 DEADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@@H]2C1)C1CC1 ZINC001048863931 692712978 /nfs/dbraw/zinc/71/29/78/692712978.db2.gz QCTDTERIFHFZID-BBWFWOEESA-N 1 3 321.509 2.153 20 0 DEADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCC(C)(C)C)C[C@@H]2C1)C1CC1 ZINC001048863931 692712981 /nfs/dbraw/zinc/71/29/81/692712981.db2.gz QCTDTERIFHFZID-BBWFWOEESA-N 1 3 321.509 2.153 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC1CC1)N(C)C ZINC001049531425 692913585 /nfs/dbraw/zinc/91/35/85/692913585.db2.gz BISMPXCSRDLFMY-KSZLIROESA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC1CC1)N(C)C ZINC001049531425 692913590 /nfs/dbraw/zinc/91/35/90/692913590.db2.gz BISMPXCSRDLFMY-KSZLIROESA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CC1)c1c[nH]cn1 ZINC001049848716 693021001 /nfs/dbraw/zinc/02/10/01/693021001.db2.gz LHQREKUXVRBSJG-GJZGRUSLSA-N 1 3 316.449 2.163 20 0 DEADHO CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CC1)c1c[nH]cn1 ZINC001049848716 693021006 /nfs/dbraw/zinc/02/10/06/693021006.db2.gz LHQREKUXVRBSJG-GJZGRUSLSA-N 1 3 316.449 2.163 20 0 DEADHO Cc1cc(C(F)(F)F)nn1CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000903164123 693026515 /nfs/dbraw/zinc/02/65/15/693026515.db2.gz LPQWJBJRNKVVAA-STQMWFEESA-N 1 3 316.371 2.427 20 0 DEADHO Cc1cc(C(F)(F)F)nn1CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000903164123 693026521 /nfs/dbraw/zinc/02/65/21/693026521.db2.gz LPQWJBJRNKVVAA-STQMWFEESA-N 1 3 316.371 2.427 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CC1CC1)CC2 ZINC001050764246 693246312 /nfs/dbraw/zinc/24/63/12/693246312.db2.gz ASLZMSLWTASLBM-QGZVFWFLSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@H]1[NH2+]CCC[C@H]1NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000925510421 693286558 /nfs/dbraw/zinc/28/65/58/693286558.db2.gz WJHXXMDQIUEDHF-CRAIPNDOSA-N 1 3 315.461 2.269 20 0 DEADHO CC1(C)C[C@H]([NH3+])C[C@@H](NCc2cccc(CS(C)(=O)=O)c2)C1 ZINC000925546675 693294231 /nfs/dbraw/zinc/29/42/31/693294231.db2.gz MHIMTBAJDFIFLW-HZPDHXFCSA-N 1 3 324.490 2.227 20 0 DEADHO O=C(NCCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)c1ccccc1 ZINC000925571569 693299748 /nfs/dbraw/zinc/29/97/48/693299748.db2.gz DYZPZLHMHIRPFY-ZWKOTPCHSA-N 1 3 315.461 2.174 20 0 DEADHO O=C(NCCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1ccccc1 ZINC000925571563 693300002 /nfs/dbraw/zinc/30/00/02/693300002.db2.gz DYZPZLHMHIRPFY-MSOLQXFVSA-N 1 3 315.461 2.174 20 0 DEADHO CCOC(=O)N1CCC([C@H](C)[NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000925641731 693315458 /nfs/dbraw/zinc/31/54/58/693315458.db2.gz AKROKDRVQVPUEN-DZGCQCFKSA-N 1 3 309.454 2.118 20 0 DEADHO COc1ccc([C@H](CO)CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925684453 693324586 /nfs/dbraw/zinc/32/45/86/693324586.db2.gz BEYBZPUZADQFIK-XHSDSOJGSA-N 1 3 306.450 2.267 20 0 DEADHO [NH3+][C@@H]1C[C@@H](NC[C@@H]2CC[C@H](c3nc(C4CC4)no3)O2)C12CCC2 ZINC000925722567 693330098 /nfs/dbraw/zinc/33/00/98/693330098.db2.gz WZAPDPZFYZDHGQ-REWJHTLYSA-N 1 3 318.421 2.027 20 0 DEADHO N[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H](c3nc(C4CC4)no3)O2)C12CCC2 ZINC000925722567 693330103 /nfs/dbraw/zinc/33/01/03/693330103.db2.gz WZAPDPZFYZDHGQ-REWJHTLYSA-N 1 3 318.421 2.027 20 0 DEADHO C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1cccc(-n2ccnn2)c1 ZINC000925775349 693339492 /nfs/dbraw/zinc/33/94/92/693339492.db2.gz FYYHRMMCWQWYNE-GXTWGEPZSA-N 1 3 321.375 2.163 20 0 DEADHO C[C@@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(F)c(F)c1 ZINC000925855445 693355238 /nfs/dbraw/zinc/35/52/38/693355238.db2.gz OFLFGHHDNXRJFE-YPMHNXCESA-N 1 3 324.371 2.301 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000926442701 693450174 /nfs/dbraw/zinc/45/01/74/693450174.db2.gz LLFBCTMOHYVULG-NJEOMLKJSA-N 1 3 300.446 2.082 20 0 DEADHO C([NH2+][C@@H]1CCOC12CCOCC2)[C@H]1CCCN(CC2CC2)C1 ZINC000926739690 693502107 /nfs/dbraw/zinc/50/21/07/693502107.db2.gz XJVVFNRZIZJHAM-IAGOWNOFSA-N 1 3 308.466 2.036 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@H]1CCC2(CCOCC2)CO1 ZINC000926870168 693521261 /nfs/dbraw/zinc/52/12/61/693521261.db2.gz CJBPJRWZMNVKLI-SOABOVLPSA-N 1 3 322.493 2.282 20 0 DEADHO CC(C)[NH+]1CCC(NC[C@@H]2CCCN2CC(F)(F)F)CC1 ZINC000926927425 693530422 /nfs/dbraw/zinc/53/04/22/693530422.db2.gz VNOMLLVNMMRWPF-AWEZNQCLSA-N 1 3 307.404 2.476 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCC1(F)F)N(C)C ZINC001375988130 1159038760 /nfs/dbraw/zinc/03/87/60/1159038760.db2.gz KFXUGKHXJGHJNP-KGLIPLIRSA-N 1 3 319.440 2.056 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCC1(F)F)N(C)C ZINC001375988130 1159038770 /nfs/dbraw/zinc/03/87/70/1159038770.db2.gz KFXUGKHXJGHJNP-KGLIPLIRSA-N 1 3 319.440 2.056 20 0 DEADHO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CC[C@H](C)N(C)C)c1C ZINC001335422415 1150411768 /nfs/dbraw/zinc/41/17/68/1150411768.db2.gz QVJBAWUHAWDAHQ-RDJZCZTQSA-N 1 3 308.466 2.281 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001402534013 1162382675 /nfs/dbraw/zinc/38/26/75/1162382675.db2.gz GWENEWFZUNDDAO-IYARVYRRSA-N 1 3 317.477 2.382 20 0 DEADHO CC[C@H](c1ccccc1)N1CCN(C[C@H](O)C[N@H+](C)CC)CC1 ZINC001413964919 1151871630 /nfs/dbraw/zinc/87/16/30/1151871630.db2.gz NHNVQOUNKSZOHB-RTBURBONSA-N 1 3 319.493 2.068 20 0 DEADHO CC[C@H](c1ccccc1)N1CCN(C[C@H](O)C[N@@H+](C)CC)CC1 ZINC001413964919 1151871631 /nfs/dbraw/zinc/87/16/31/1151871631.db2.gz NHNVQOUNKSZOHB-RTBURBONSA-N 1 3 319.493 2.068 20 0 DEADHO CC[C@H](F)C[NH2+]C1(C)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001402780282 1162469931 /nfs/dbraw/zinc/46/99/31/1162469931.db2.gz GUEWVVLJJXIZGN-AWEZNQCLSA-N 1 3 301.450 2.045 20 0 DEADHO C[C@H]1CCN(CC(=O)NC2CCC([NH2+]C/C=C/Cl)CC2)C1 ZINC001402831124 1162488226 /nfs/dbraw/zinc/48/82/26/1162488226.db2.gz UOBGETDKJNZJNG-CVCRSUNJSA-N 1 3 313.873 2.098 20 0 DEADHO C[C@H](C[N@H+](C)CCc1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001379674453 1152670731 /nfs/dbraw/zinc/67/07/31/1152670731.db2.gz BZBZVQRSSQHNJM-MRXNPFEDSA-N 1 3 317.477 2.150 20 0 DEADHO C[C@H](C[N@@H+](C)CCc1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001379674453 1152670734 /nfs/dbraw/zinc/67/07/34/1152670734.db2.gz BZBZVQRSSQHNJM-MRXNPFEDSA-N 1 3 317.477 2.150 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)C1CC[NH+](CC2CC2)CC1)N(C)C ZINC001380147139 1152756808 /nfs/dbraw/zinc/75/68/08/1152756808.db2.gz ZOEORQBALMCKAX-YOEHRIQHSA-N 1 3 309.498 2.199 20 0 DEADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]Cc2cccc(F)c2)C1 ZINC001380175415 1152762609 /nfs/dbraw/zinc/76/26/09/1152762609.db2.gz DBVUOKOCPFYRTP-UHFFFAOYSA-N 1 3 321.440 2.247 20 0 DEADHO CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2ccccc2)C1)N(C)C ZINC001380178363 1152763031 /nfs/dbraw/zinc/76/30/31/1152763031.db2.gz VAMSJVCPYDVMNY-OFLPRAFFSA-N 1 3 303.450 2.106 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(CC[NH+](C)C)CC2CCCCC2)C1 ZINC001362160243 1152838469 /nfs/dbraw/zinc/83/84/69/1152838469.db2.gz MPSQBMUGFPYIKG-MRXNPFEDSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC001362423052 1152900834 /nfs/dbraw/zinc/90/08/34/1152900834.db2.gz JONHGSWYLYRRAK-WBVHZDCISA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC001362423052 1152900836 /nfs/dbraw/zinc/90/08/36/1152900836.db2.gz JONHGSWYLYRRAK-WBVHZDCISA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC(C)([NH2+]C/C=C\Cl)CC1)N(C)C ZINC001381128706 1152919437 /nfs/dbraw/zinc/91/94/37/1152919437.db2.gz SPPLMRBLQPGATG-DEBLGDTFSA-N 1 3 315.889 2.296 20 0 DEADHO C[C@H](CC[NH+](C)C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001362968173 1153164066 /nfs/dbraw/zinc/16/40/66/1153164066.db2.gz DLVJCLDLMSMRGY-JFIYKMOQSA-N 1 3 317.477 2.353 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC001363161887 1153248123 /nfs/dbraw/zinc/24/81/23/1153248123.db2.gz UMTWUTZNBIJJJE-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC001363161887 1153248128 /nfs/dbraw/zinc/24/81/28/1153248128.db2.gz UMTWUTZNBIJJJE-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO COc1ccc([C@H](CN(C)C)NC(=O)[C@@H](C)CC[NH+](C)C)cc1 ZINC001363173812 1153254010 /nfs/dbraw/zinc/25/40/10/1153254010.db2.gz JGNWIRJWMCAWOC-YOEHRIQHSA-N 1 3 321.465 2.002 20 0 DEADHO CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001381924668 1153275417 /nfs/dbraw/zinc/27/54/17/1153275417.db2.gz HRSRVEIIRKNOTL-JYJNAYRXSA-N 1 3 309.498 2.201 20 0 DEADHO CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001381924668 1153275420 /nfs/dbraw/zinc/27/54/20/1153275420.db2.gz HRSRVEIIRKNOTL-JYJNAYRXSA-N 1 3 309.498 2.201 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@H+](CC1CCCC1)C2 ZINC001381942823 1153282823 /nfs/dbraw/zinc/28/28/23/1153282823.db2.gz ZGFSLTNYYGAIQP-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@@H+](CC1CCCC1)C2 ZINC001381942823 1153282826 /nfs/dbraw/zinc/28/28/26/1153282826.db2.gz ZGFSLTNYYGAIQP-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001382163313 1153383763 /nfs/dbraw/zinc/38/37/63/1153383763.db2.gz VZJNOAQDGXRJEM-MRXNPFEDSA-N 1 3 305.466 2.273 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]CCC2CCCC2)C1 ZINC001382589388 1153476930 /nfs/dbraw/zinc/47/69/30/1153476930.db2.gz KJSCNNWLFCRICT-UHFFFAOYSA-N 1 3 309.498 2.486 20 0 DEADHO CC[NH+](CC)CCCC1CCN(CCNC(=O)C2CC2)CC1 ZINC001363784297 1153627309 /nfs/dbraw/zinc/62/73/09/1153627309.db2.gz JVBVTHRBKXEARK-UHFFFAOYSA-N 1 3 309.498 2.347 20 0 DEADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)C[C@@H]1C ZINC001363928560 1153726527 /nfs/dbraw/zinc/72/65/27/1153726527.db2.gz FEWMDYWIKBQPKB-QROFKTNTSA-N 1 3 308.466 2.284 20 0 DEADHO Cc1ccccc1C[NH2+][C@H](C)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001403028884 1162639090 /nfs/dbraw/zinc/63/90/90/1162639090.db2.gz STZBVZFWPLXOKK-CVEARBPZSA-N 1 3 317.477 2.462 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCCC[C@@H]([NH2+]CC2CCC2)C1 ZINC001388791120 1155089354 /nfs/dbraw/zinc/08/93/54/1155089354.db2.gz GSLICTKMLVWUGH-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCc2cccs2)C1)N(C)C ZINC001390008611 1155497504 /nfs/dbraw/zinc/49/75/04/1155497504.db2.gz JATYBTCHRISTRK-IJEWVQPXSA-N 1 3 323.506 2.114 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001390057738 1155514473 /nfs/dbraw/zinc/51/44/73/1155514473.db2.gz HOVLHIWTHDAMAX-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001390057738 1155514477 /nfs/dbraw/zinc/51/44/77/1155514477.db2.gz HOVLHIWTHDAMAX-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001390057742 1155514488 /nfs/dbraw/zinc/51/44/88/1155514488.db2.gz HOVLHIWTHDAMAX-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001390057742 1155514491 /nfs/dbraw/zinc/51/44/91/1155514491.db2.gz HOVLHIWTHDAMAX-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001371345311 1155829605 /nfs/dbraw/zinc/82/96/05/1155829605.db2.gz JDLCLEMJZKCEHQ-GOEBONIOSA-N 1 3 309.498 2.247 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001371415984 1155847834 /nfs/dbraw/zinc/84/78/34/1155847834.db2.gz GYZJNIISCKJRFQ-BBRMVZONSA-N 1 3 309.429 2.069 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](C)CC[C@H]1CCCC1(F)F)N(C)C ZINC001390779427 1155867157 /nfs/dbraw/zinc/86/71/57/1155867157.db2.gz VRPWZSDVCKZZOX-ZIAGYGMSSA-N 1 3 319.440 2.200 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](C)CC[C@H]1CCCC1(F)F)N(C)C ZINC001390779427 1155867160 /nfs/dbraw/zinc/86/71/60/1155867160.db2.gz VRPWZSDVCKZZOX-ZIAGYGMSSA-N 1 3 319.440 2.200 20 0 DEADHO C[C@H](C(=O)NC[C@H]1CC[N@H+](CC2CCC2)C1)N1CCCCCC1 ZINC001391099271 1156111654 /nfs/dbraw/zinc/11/16/54/1156111654.db2.gz UKCUOZHTAFSNNP-SJLPKXTDSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H](C(=O)NC[C@H]1CC[N@@H+](CC2CCC2)C1)N1CCCCCC1 ZINC001391099271 1156111702 /nfs/dbraw/zinc/11/17/02/1156111702.db2.gz UKCUOZHTAFSNNP-SJLPKXTDSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1)N(C)C ZINC001391102782 1156114623 /nfs/dbraw/zinc/11/46/23/1156114623.db2.gz DCKQIVIDNJZQSV-NVXWUHKLSA-N 1 3 321.440 2.104 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C1)N(C)C ZINC001391102782 1156114639 /nfs/dbraw/zinc/11/46/39/1156114639.db2.gz DCKQIVIDNJZQSV-NVXWUHKLSA-N 1 3 321.440 2.104 20 0 DEADHO Cc1ccc(C[N@@H+](C)CCNC(=O)CN2CC[C@@H](C)C2)c(C)c1 ZINC001372099742 1156206856 /nfs/dbraw/zinc/20/68/56/1156206856.db2.gz BKMWAJWPKVUWAH-MRXNPFEDSA-N 1 3 317.477 2.193 20 0 DEADHO Cc1ccc(C[N@H+](C)CCNC(=O)CN2CC[C@@H](C)C2)c(C)c1 ZINC001372099742 1156206868 /nfs/dbraw/zinc/20/68/68/1156206868.db2.gz BKMWAJWPKVUWAH-MRXNPFEDSA-N 1 3 317.477 2.193 20 0 DEADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001391340075 1156343298 /nfs/dbraw/zinc/34/32/98/1156343298.db2.gz PGGADEUSDCFOTG-CGZBRXJRSA-N 1 3 309.498 2.203 20 0 DEADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@@H+](CC2CC(C)C2)C1 ZINC001391340075 1156343304 /nfs/dbraw/zinc/34/33/04/1156343304.db2.gz PGGADEUSDCFOTG-CGZBRXJRSA-N 1 3 309.498 2.203 20 0 DEADHO CC[N@H+](CCNC(=O)C1(N(C)C)CCC1)CCc1cccs1 ZINC001372358651 1156373391 /nfs/dbraw/zinc/37/33/91/1156373391.db2.gz GZHOGNMJVOROTQ-UHFFFAOYSA-N 1 3 323.506 2.213 20 0 DEADHO CC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)CCc1cccs1 ZINC001372358651 1156373396 /nfs/dbraw/zinc/37/33/96/1156373396.db2.gz GZHOGNMJVOROTQ-UHFFFAOYSA-N 1 3 323.506 2.213 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1C[NH+](CCCC2CCC2)C1)N(C)C ZINC001391515321 1156483724 /nfs/dbraw/zinc/48/37/24/1156483724.db2.gz KFBZAZOAGFRCKB-KRWDZBQOSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCCN1CCCF)[NH+]1CCCC1 ZINC001372575292 1156559228 /nfs/dbraw/zinc/55/92/28/1156559228.db2.gz LYEVRIOQLSBNBV-HOTGVXAUSA-N 1 3 313.461 2.047 20 0 DEADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@H+](CCCC3CCC3)C2)CCC1 ZINC001372611494 1156605836 /nfs/dbraw/zinc/60/58/36/1156605836.db2.gz BSEHDNIAIAHUSC-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@@H+](CCCC3CCC3)C2)CCC1 ZINC001372611494 1156605844 /nfs/dbraw/zinc/60/58/44/1156605844.db2.gz BSEHDNIAIAHUSC-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@H](CNC(=O)[C@H]1CCCN1C(C)C)[NH2+]CCC(F)(F)F ZINC001391698470 1156707699 /nfs/dbraw/zinc/70/76/99/1156707699.db2.gz VVQVOXWHOGNFGN-CHWSQXEVSA-N 1 3 323.403 2.296 20 0 DEADHO CN(CC(=O)NCc1ccc(C[NH2+]CC2CC2)cc1)C1CCC1 ZINC001391831010 1156811941 /nfs/dbraw/zinc/81/19/41/1156811941.db2.gz HYFZXXKRQYOXKS-UHFFFAOYSA-N 1 3 315.461 2.287 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001391931260 1156835948 /nfs/dbraw/zinc/83/59/48/1156835948.db2.gz HGGJSDDIJATVLR-CJNGLKHVSA-N 1 3 309.429 2.008 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N[C@H](C)c2ccccc2F)C1 ZINC001403190679 1162814193 /nfs/dbraw/zinc/81/41/93/1162814193.db2.gz PULBZSNUQRGSPO-CABCVRRESA-N 1 3 321.440 2.419 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@H](C)c2ccccc2F)C1 ZINC001403190679 1162814194 /nfs/dbraw/zinc/81/41/94/1162814194.db2.gz PULBZSNUQRGSPO-CABCVRRESA-N 1 3 321.440 2.419 20 0 DEADHO C[C@H](C[NH2+]Cc1ccc(F)cc1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001392102222 1156867673 /nfs/dbraw/zinc/86/76/73/1156867673.db2.gz RLNFRDVPYDYGRI-HUUCEWRRSA-N 1 3 321.440 2.104 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCCC2CCC2)C1 ZINC001373288150 1156932729 /nfs/dbraw/zinc/93/27/29/1156932729.db2.gz DMCCXSOOSNILDQ-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCCC2CCC2)C1 ZINC001373288150 1156932746 /nfs/dbraw/zinc/93/27/46/1156932746.db2.gz DMCCXSOOSNILDQ-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1cccc(C)c1)N(C)C ZINC001392681596 1157330125 /nfs/dbraw/zinc/33/01/25/1157330125.db2.gz DEYSJLXFXFTDRF-RDJZCZTQSA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1cccc(C)c1)N(C)C ZINC001392681596 1157330117 /nfs/dbraw/zinc/33/01/17/1157330117.db2.gz DEYSJLXFXFTDRF-RDJZCZTQSA-N 1 3 305.466 2.272 20 0 DEADHO C[C@@H](CN(C)Cc1cccc(F)c1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001392684635 1157335331 /nfs/dbraw/zinc/33/53/31/1157335331.db2.gz KDFQDJKZLADNDZ-CABCVRRESA-N 1 3 321.440 2.104 20 0 DEADHO C[C@@H](CN(C)Cc1cccc(F)c1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001392684635 1157335341 /nfs/dbraw/zinc/33/53/41/1157335341.db2.gz KDFQDJKZLADNDZ-CABCVRRESA-N 1 3 321.440 2.104 20 0 DEADHO C[C@H](CN(C)C/C=C\c1ccccc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001392725427 1157373333 /nfs/dbraw/zinc/37/33/33/1157373333.db2.gz MINGSGATWSQLDC-FNKXVUGSSA-N 1 3 315.461 2.088 20 0 DEADHO C[C@H](CN(C)C/C=C\c1ccccc1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392725427 1157373339 /nfs/dbraw/zinc/37/33/39/1157373339.db2.gz MINGSGATWSQLDC-FNKXVUGSSA-N 1 3 315.461 2.088 20 0 DEADHO CC[C@H](C)C[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001392836313 1157458191 /nfs/dbraw/zinc/45/81/91/1157458191.db2.gz OHOPTMSEQKQHSM-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C)C[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001392836313 1157458201 /nfs/dbraw/zinc/45/82/01/1157458201.db2.gz OHOPTMSEQKQHSM-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1ccc(C[NH2+]C2(CNC(=O)CN(C)C(C)C)CC2)cc1 ZINC001392965765 1157571948 /nfs/dbraw/zinc/57/19/48/1157571948.db2.gz RQXSSEWIDLLWBZ-UHFFFAOYSA-N 1 3 303.450 2.074 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccsc2)[C@@H](C)C1 ZINC001374381806 1157833391 /nfs/dbraw/zinc/83/33/91/1157833391.db2.gz HAKJEWQMCVHJQR-HOCLYGCPSA-N 1 3 323.506 2.417 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CC[NH+](C[C@@H](F)CC)CC2 ZINC001393500728 1157844356 /nfs/dbraw/zinc/84/43/56/1157844356.db2.gz JALWVLCNOGJIMH-HNNXBMFYSA-N 1 3 313.461 2.001 20 0 DEADHO CC(C)[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CC1CCC1 ZINC001374429133 1157852256 /nfs/dbraw/zinc/85/22/56/1157852256.db2.gz HWSHTJRBJDDNRW-INIZCTEOSA-N 1 3 309.498 2.391 20 0 DEADHO CCC1([NH2+]CC2CCC2)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001393680664 1157899779 /nfs/dbraw/zinc/89/97/79/1157899779.db2.gz NHNOTUQGQKBCFL-MRXNPFEDSA-N 1 3 321.509 2.489 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)CN(C)C2CCC2)c(C)c1 ZINC001374773019 1158016876 /nfs/dbraw/zinc/01/68/76/1158016876.db2.gz ULFRUJHSFLOCSQ-MRXNPFEDSA-N 1 3 317.477 2.382 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@H](C)c1cccc(OC)c1)N(C)C ZINC001374777177 1158018011 /nfs/dbraw/zinc/01/80/11/1158018011.db2.gz QKZURWQVEYWTEE-CKEIUWERSA-N 1 3 321.465 2.191 20 0 DEADHO C[C@@H](NC(=O)C(C)(C)N1CCCCC1)[C@H](C)[NH2+]C/C=C/Cl ZINC001393931377 1158079761 /nfs/dbraw/zinc/07/97/61/1158079761.db2.gz IZZHJRFLDBVSRD-NYCDYWJRSA-N 1 3 315.889 2.486 20 0 DEADHO CN(C(=O)Cc1c[nH]cn1)[C@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001403513760 1162922734 /nfs/dbraw/zinc/92/27/34/1162922734.db2.gz RHDJGKVOEJZNNJ-MRXNPFEDSA-N 1 3 318.465 2.215 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[N@H+](C)CCc1ccc(C)cc1)N(C)C ZINC001375132707 1158341669 /nfs/dbraw/zinc/34/16/69/1158341669.db2.gz AXOLHZPKFKEWDZ-SJLPKXTDSA-N 1 3 319.493 2.314 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[N@@H+](C)CCc1ccc(C)cc1)N(C)C ZINC001375132707 1158341681 /nfs/dbraw/zinc/34/16/81/1158341681.db2.gz AXOLHZPKFKEWDZ-SJLPKXTDSA-N 1 3 319.493 2.314 20 0 DEADHO CCC(F)C[NH2+]CC(NC(=O)c1cn2c(n1)CCCC2)C1CC1 ZINC001375229311 1158392839 /nfs/dbraw/zinc/39/28/39/1158392839.db2.gz FETODVZBMCEVDY-ZIAGYGMSSA-N 1 3 322.428 2.066 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001375495960 1158771838 /nfs/dbraw/zinc/77/18/38/1158771838.db2.gz DVFQCOLBDHSRJM-FHAVYNNISA-N 1 3 313.873 2.098 20 0 DEADHO CCCN(C)CC(=O)N1CCC2(C1)CC[NH+](CC1CC1)CC2 ZINC001375625769 1158831968 /nfs/dbraw/zinc/83/19/68/1158831968.db2.gz CJVPBKTZOYRWGT-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001376367028 1159366335 /nfs/dbraw/zinc/36/63/35/1159366335.db2.gz WWDVYFQUIMIXHW-WBVHZDCISA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@@H]2C1 ZINC001376417062 1159397444 /nfs/dbraw/zinc/39/74/44/1159397444.db2.gz XSIDQHGJKSPELH-CALCHBBNSA-N 1 3 321.509 2.153 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@H+](CC3CC(C)(C)C3)C[C@@H]2C1 ZINC001376417062 1159397456 /nfs/dbraw/zinc/39/74/56/1159397456.db2.gz XSIDQHGJKSPELH-CALCHBBNSA-N 1 3 321.509 2.153 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1)N(C)C ZINC001376768039 1159781352 /nfs/dbraw/zinc/78/13/52/1159781352.db2.gz VZLSQEIHHDZZGN-KBXCAEBGSA-N 1 3 317.477 2.499 20 0 DEADHO Cc1cc(C[NH2+][C@@H](C)CNC(=O)CN2CC[C@@H](C)C2)c(C)s1 ZINC001376804219 1159806295 /nfs/dbraw/zinc/80/62/95/1159806295.db2.gz UOMRBSDYZYKFBR-OLZOCXBDSA-N 1 3 323.506 2.301 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001376981890 1159863337 /nfs/dbraw/zinc/86/33/37/1159863337.db2.gz LRZKLDVRJGGUOQ-OLZOCXBDSA-N 1 3 323.403 2.298 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001397083377 1159958130 /nfs/dbraw/zinc/95/81/30/1159958130.db2.gz RSMAHGTXUDSLSY-KFWWJZLASA-N 1 3 315.477 2.197 20 0 DEADHO CC(C)C[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001397128617 1160007597 /nfs/dbraw/zinc/00/75/97/1160007597.db2.gz JAEDMULTBLILCS-XSLAGTTESA-N 1 3 323.525 2.495 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]CCC(C)(C)C)C2)C1 ZINC001397131389 1160009990 /nfs/dbraw/zinc/00/99/90/1160009990.db2.gz VFDYBFWLMPCRNU-BZUAXINKSA-N 1 3 309.498 2.249 20 0 DEADHO CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001397267169 1160097274 /nfs/dbraw/zinc/09/72/74/1160097274.db2.gz ZUXHADKYYSQAGC-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001397267169 1160097282 /nfs/dbraw/zinc/09/72/82/1160097282.db2.gz ZUXHADKYYSQAGC-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCC2CCCC2)C1 ZINC001377275188 1160099244 /nfs/dbraw/zinc/09/92/44/1160099244.db2.gz CSKPXKHBAXAQLF-DOTOQJQBSA-N 1 3 309.498 2.345 20 0 DEADHO CN(CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)Cc1ccccc1 ZINC001403695091 1163094883 /nfs/dbraw/zinc/09/48/83/1163094883.db2.gz DYHFTIULUWYHAD-ROUUACIJSA-N 1 3 315.461 2.252 20 0 DEADHO CN(CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)Cc1ccccc1 ZINC001403695091 1163094891 /nfs/dbraw/zinc/09/48/91/1163094891.db2.gz DYHFTIULUWYHAD-ROUUACIJSA-N 1 3 315.461 2.252 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[N@@H+](C)CC[C@@H](C)F ZINC001397804450 1160530483 /nfs/dbraw/zinc/53/04/83/1160530483.db2.gz KGQUVVMBFVZRRM-CVEARBPZSA-N 1 3 315.477 2.388 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[N@H+](C)CC[C@@H](C)F ZINC001397804450 1160530493 /nfs/dbraw/zinc/53/04/93/1160530493.db2.gz KGQUVVMBFVZRRM-CVEARBPZSA-N 1 3 315.477 2.388 20 0 DEADHO CCc1ccccc1CN(C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001403752940 1163137365 /nfs/dbraw/zinc/13/73/65/1163137365.db2.gz RXZAGSZNPHPUAY-GOSISDBHSA-N 1 3 319.493 2.383 20 0 DEADHO CN(C)C1(C(=O)N2CCC(C[N@H+](C)CCC3CC3)CC2)CCC1 ZINC001377780320 1160821150 /nfs/dbraw/zinc/82/11/50/1160821150.db2.gz GOOIENOZUUNSKK-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C)C1(C(=O)N2CCC(C[N@@H+](C)CCC3CC3)CC2)CCC1 ZINC001377780320 1160821151 /nfs/dbraw/zinc/82/11/51/1160821151.db2.gz GOOIENOZUUNSKK-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)C1)N(C)C ZINC001377827123 1160840796 /nfs/dbraw/zinc/84/07/96/1160840796.db2.gz WJYKOYHSSZBVND-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)C1)N(C)C ZINC001377827123 1160840799 /nfs/dbraw/zinc/84/07/99/1160840799.db2.gz WJYKOYHSSZBVND-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccsc2)C[C@@H]1C ZINC001403767417 1163158178 /nfs/dbraw/zinc/15/81/78/1163158178.db2.gz ZDXCPFYJXWTKIR-ZFWWWQNUSA-N 1 3 309.479 2.169 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H](C[N@H+](C)C/C=C\Cl)C1 ZINC001398471498 1160904210 /nfs/dbraw/zinc/90/42/10/1160904210.db2.gz UYXQSVKDZWRAQX-LYASGUKUSA-N 1 3 315.889 2.251 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H](C[N@@H+](C)C/C=C\Cl)C1 ZINC001398471498 1160904216 /nfs/dbraw/zinc/90/42/16/1160904216.db2.gz UYXQSVKDZWRAQX-LYASGUKUSA-N 1 3 315.889 2.251 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2F)C1)N(C)C ZINC001398551857 1160969645 /nfs/dbraw/zinc/96/96/45/1160969645.db2.gz GFXHBBQVVWCZPT-BFYDXBDKSA-N 1 3 321.440 2.149 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001398558130 1160973907 /nfs/dbraw/zinc/97/39/07/1160973907.db2.gz CONXWJISDMBROR-XIRDDKMYSA-N 1 3 303.450 2.326 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2ccccc2F)C1 ZINC001398572968 1160989376 /nfs/dbraw/zinc/98/93/76/1160989376.db2.gz ZBGBJHLJXFPNNZ-WKILWMFISA-N 1 3 321.440 2.294 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2ccccc2F)C1 ZINC001398572968 1160989399 /nfs/dbraw/zinc/98/93/99/1160989399.db2.gz ZBGBJHLJXFPNNZ-WKILWMFISA-N 1 3 321.440 2.294 20 0 DEADHO Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)CN(C)C(C)C)C2)c(C)s1 ZINC001398572035 1160991564 /nfs/dbraw/zinc/99/15/64/1160991564.db2.gz HAWSYYFEROCMQK-WKILWMFISA-N 1 3 323.506 2.442 20 0 DEADHO Cc1cccc(CN2CCC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]2C)c1 ZINC001403776301 1163168851 /nfs/dbraw/zinc/16/88/51/1163168851.db2.gz AJBHGYYRSGEYAJ-FUHWJXTLSA-N 1 3 317.477 2.416 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC001398701535 1161064859 /nfs/dbraw/zinc/06/48/59/1161064859.db2.gz UMNSHAVFPGUCRC-INIZCTEOSA-N 1 3 321.440 2.106 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1)N(C)C ZINC001398973146 1161173257 /nfs/dbraw/zinc/17/32/57/1161173257.db2.gz JOXDIGCPFUHAAH-NVXWUHKLSA-N 1 3 305.466 2.238 20 0 DEADHO C[C@@H]1CC[N@H+](CC(=O)NCCN(C)C/C=C/c2ccccc2)C1 ZINC001399576016 1161463373 /nfs/dbraw/zinc/46/33/73/1161463373.db2.gz GCPOKNDHGSDBPD-RCMYXZNBSA-N 1 3 315.461 2.090 20 0 DEADHO C[C@@H]1CC[N@@H+](CC(=O)NCCN(C)C/C=C/c2ccccc2)C1 ZINC001399576016 1161463376 /nfs/dbraw/zinc/46/33/76/1161463376.db2.gz GCPOKNDHGSDBPD-RCMYXZNBSA-N 1 3 315.461 2.090 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2)C1 ZINC001400232721 1161694521 /nfs/dbraw/zinc/69/45/21/1161694521.db2.gz WBOKVIQWTOFAMI-GOSISDBHSA-N 1 3 317.477 2.309 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC001400232721 1161694523 /nfs/dbraw/zinc/69/45/23/1161694523.db2.gz WBOKVIQWTOFAMI-GOSISDBHSA-N 1 3 317.477 2.309 20 0 DEADHO CCCN(C)CC(=O)N[C@@]1(C[NH2+]CC2CC2)CCCC[C@H]1C ZINC001401064146 1161865784 /nfs/dbraw/zinc/86/57/84/1161865784.db2.gz VQPAOIZFBXWQIU-CRAIPNDOSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H]1CCc2ccccc21 ZINC001401266675 1161909874 /nfs/dbraw/zinc/90/98/74/1161909874.db2.gz NBMZWVXAOLUXIU-YJBOKZPZSA-N 1 3 317.477 2.451 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]C[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001401704764 1162084271 /nfs/dbraw/zinc/08/42/71/1162084271.db2.gz DAQHVQGGCXJLAS-ZFWWWQNUSA-N 1 3 321.440 2.070 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001401716189 1162088791 /nfs/dbraw/zinc/08/87/91/1162088791.db2.gz FGKKNGKLLRNWFT-SUMWQHHRSA-N 1 3 321.440 2.249 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)C/C=C/c1ccccc1)N(C)C ZINC001401775440 1162124947 /nfs/dbraw/zinc/12/49/47/1162124947.db2.gz HPIQVEOEHOENRP-RNQQZGMQSA-N 1 3 317.477 2.477 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)C/C=C/c1ccccc1)N(C)C ZINC001401775440 1162124950 /nfs/dbraw/zinc/12/49/50/1162124950.db2.gz HPIQVEOEHOENRP-RNQQZGMQSA-N 1 3 317.477 2.477 20 0 DEADHO C[C@@H](NC1(CNC(=O)CCC[NH+](C)C)CC1)c1cccc(F)c1 ZINC001402027393 1162220645 /nfs/dbraw/zinc/22/06/45/1162220645.db2.gz LLIBDHAAYKDGOD-CQSZACIVSA-N 1 3 321.440 2.467 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC2CC(C)(C)C2)C[C@@H]1C ZINC001403785281 1163185136 /nfs/dbraw/zinc/18/51/36/1163185136.db2.gz WRQBIEYHRFNUTM-GOEBONIOSA-N 1 3 309.498 2.342 20 0 DEADHO CC[C@@H](F)CN1CCC([C@H](C)NC(=O)CCC[NH+](C)C)CC1 ZINC001403984728 1163352645 /nfs/dbraw/zinc/35/26/45/1163352645.db2.gz KDUWXWOWSQETHP-GOEBONIOSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C1CC([NH2+]CCC(F)(F)F)C1)N(C)C ZINC001404017641 1163378135 /nfs/dbraw/zinc/37/81/35/1163378135.db2.gz MPWSCVSZSAQQDM-WXRRBKDZSA-N 1 3 323.403 2.104 20 0 DEADHO CC[NH2+]Cc1ccc(CNC(=O)C2(N(C)C)CCC2)c(F)c1 ZINC001404031487 1163387406 /nfs/dbraw/zinc/38/74/06/1163387406.db2.gz OGRBHXYOHGKTBL-UHFFFAOYSA-N 1 3 307.413 2.036 20 0 DEADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCN(Cc3ccsc3)C2)C1 ZINC001404097837 1163442285 /nfs/dbraw/zinc/44/22/85/1163442285.db2.gz OJNODXFYONRKHP-GJZGRUSLSA-N 1 3 321.490 2.028 20 0 DEADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCN(Cc3ccsc3)C2)C1 ZINC001404097837 1163442293 /nfs/dbraw/zinc/44/22/93/1163442293.db2.gz OJNODXFYONRKHP-GJZGRUSLSA-N 1 3 321.490 2.028 20 0 DEADHO Cc1ccc(C[N@@H+](CCNC(=O)[C@@H]2CCCN2C)C2CC2)cc1 ZINC001404209672 1163510015 /nfs/dbraw/zinc/51/00/15/1163510015.db2.gz IYICNHBNDDBMSS-SFHVURJKSA-N 1 3 315.461 2.170 20 0 DEADHO Cc1ccc(C[N@H+](CCNC(=O)[C@@H]2CCCN2C)C2CC2)cc1 ZINC001404209672 1163510018 /nfs/dbraw/zinc/51/00/18/1163510018.db2.gz IYICNHBNDDBMSS-SFHVURJKSA-N 1 3 315.461 2.170 20 0 DEADHO Cc1cccc(CN(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)c1 ZINC001404304445 1163570852 /nfs/dbraw/zinc/57/08/52/1163570852.db2.gz ABXYIECVIFPZTB-QGZVFWFLSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1cccc(CN(CCNC(=O)[C@@H]2CC[N@H+](C)C2)C2CC2)c1 ZINC001404304445 1163570867 /nfs/dbraw/zinc/57/08/67/1163570867.db2.gz ABXYIECVIFPZTB-QGZVFWFLSA-N 1 3 315.461 2.027 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC(C[N@@H+](C)CC[C@@H](C)F)CC1 ZINC001404616178 1163753101 /nfs/dbraw/zinc/75/31/01/1163753101.db2.gz APTJUUKLYZSGPH-OAHLLOKOSA-N 1 3 315.477 2.245 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC(C[N@H+](C)CC[C@@H](C)F)CC1 ZINC001404616178 1163753109 /nfs/dbraw/zinc/75/31/09/1163753109.db2.gz APTJUUKLYZSGPH-OAHLLOKOSA-N 1 3 315.477 2.245 20 0 DEADHO CC[C@H](C(=O)NCC1C[NH+]([C@@H](C)c2cccc(C)c2)C1)N(C)C ZINC001404879893 1163845328 /nfs/dbraw/zinc/84/53/28/1163845328.db2.gz BUDZGVNLRDKYLQ-MAUKXSAKSA-N 1 3 317.477 2.444 20 0 DEADHO CC[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]C/C=C\Cl ZINC001405311246 1164047498 /nfs/dbraw/zinc/04/74/98/1164047498.db2.gz VNELLUSXZWKRCD-MEJMFZKBSA-N 1 3 303.878 2.201 20 0 DEADHO CC[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001405528762 1164136228 /nfs/dbraw/zinc/13/62/28/1164136228.db2.gz ZMIYIJHHAVCKNA-BPLDGKMQSA-N 1 3 306.454 2.324 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001405732642 1164208407 /nfs/dbraw/zinc/20/84/07/1164208407.db2.gz NQKDGEQQWUEDMZ-GOEBONIOSA-N 1 3 309.498 2.249 20 0 DEADHO CC(C)c1cccc(CNC[C@@H](C)N(C)C(=O)CC[NH+](C)C)n1 ZINC001405858236 1164294718 /nfs/dbraw/zinc/29/47/18/1164294718.db2.gz WWEYZPOAZAVDCA-OAHLLOKOSA-N 1 3 320.481 2.093 20 0 DEADHO CC(C)[C@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]CC1CCCC1 ZINC001406043471 1164405391 /nfs/dbraw/zinc/40/53/91/1164405391.db2.gz PNGIGJOWYRLVRP-IRXDYDNUSA-N 1 3 311.514 2.493 20 0 DEADHO Cc1cc(C)cc(C[NH2+]C[C@H](C)NC(=O)CN2CC[C@@H](C)C2)c1 ZINC001406523353 1164655438 /nfs/dbraw/zinc/65/54/38/1164655438.db2.gz RUARQFNCOHITPO-PBHICJAKSA-N 1 3 317.477 2.240 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001406564708 1164679502 /nfs/dbraw/zinc/67/95/02/1164679502.db2.gz UCIZGYFACJXXLS-SUMWQHHRSA-N 1 3 321.440 2.248 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(F)cc1C ZINC001406694409 1164796925 /nfs/dbraw/zinc/79/69/25/1164796925.db2.gz OZKUMZKJPVUFTK-HNNXBMFYSA-N 1 3 323.456 2.412 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(F)cc1C ZINC001406694409 1164796932 /nfs/dbraw/zinc/79/69/32/1164796932.db2.gz OZKUMZKJPVUFTK-HNNXBMFYSA-N 1 3 323.456 2.412 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC001406732453 1164810029 /nfs/dbraw/zinc/81/00/29/1164810029.db2.gz YKTKDELQQPNNRZ-QAPCUYQASA-N 1 3 317.477 2.451 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001406732453 1164810030 /nfs/dbraw/zinc/81/00/30/1164810030.db2.gz YKTKDELQQPNNRZ-QAPCUYQASA-N 1 3 317.477 2.451 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@H+](C)C/C=C\c1ccccc1 ZINC001406732511 1164810050 /nfs/dbraw/zinc/81/00/50/1164810050.db2.gz YQDNPLGNMZJXAH-GKUQOKNUSA-N 1 3 317.477 2.477 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)C/C=C\c1ccccc1 ZINC001406732511 1164810051 /nfs/dbraw/zinc/81/00/51/1164810051.db2.gz YQDNPLGNMZJXAH-GKUQOKNUSA-N 1 3 317.477 2.477 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@@H](NCc2ccns2)C1)[NH+](CC)CC ZINC001418104559 1167412214 /nfs/dbraw/zinc/41/22/14/1167412214.db2.gz QZGSCKNGCZNWCW-GUTXKFCHSA-N 1 3 324.494 2.000 20 0 DEADHO CCc1cccc(C[NH2+][C@@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001418238830 1167511521 /nfs/dbraw/zinc/51/15/21/1167511521.db2.gz XOVVXPNHFPVBFS-HNNXBMFYSA-N 1 3 317.477 2.328 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001418301359 1167561969 /nfs/dbraw/zinc/56/19/69/1167561969.db2.gz WGDFZTVKLVYSMR-KBPBESRZSA-N 1 3 319.440 2.248 20 0 DEADHO CC[N@@H+](C/C=C\c1ccccc1)CCNC(=O)[C@H]1CCCN1C ZINC001418560180 1167813270 /nfs/dbraw/zinc/81/32/70/1167813270.db2.gz QLZMKOUVTFTDLF-RLGIIYIFSA-N 1 3 315.461 2.232 20 0 DEADHO CC[N@H+](C/C=C\c1ccccc1)CCNC(=O)[C@H]1CCCN1C ZINC001418560180 1167813271 /nfs/dbraw/zinc/81/32/71/1167813271.db2.gz QLZMKOUVTFTDLF-RLGIIYIFSA-N 1 3 315.461 2.232 20 0 DEADHO CCC[N@H+](CCNC(=O)[C@H]1CCCN1C)Cc1cccc(F)c1 ZINC001418709758 1167902145 /nfs/dbraw/zinc/90/21/45/1167902145.db2.gz HXNHDEIVXQDOAJ-QGZVFWFLSA-N 1 3 321.440 2.248 20 0 DEADHO CCC[N@@H+](CCNC(=O)[C@H]1CCCN1C)Cc1cccc(F)c1 ZINC001418709758 1167902150 /nfs/dbraw/zinc/90/21/50/1167902150.db2.gz HXNHDEIVXQDOAJ-QGZVFWFLSA-N 1 3 321.440 2.248 20 0 DEADHO CC[C@H](C(=O)N(C)CC[NH2+][C@@H](C)c1ccccc1C)N(C)C ZINC001418819361 1167985691 /nfs/dbraw/zinc/98/56/91/1167985691.db2.gz DPDHGBKONWSJCD-DOTOQJQBSA-N 1 3 305.466 2.444 20 0 DEADHO CCC[N@H+](C)CCC(=O)NCC1CN(Cc2cccc(C)c2)C1 ZINC001419040731 1168153231 /nfs/dbraw/zinc/15/32/31/1168153231.db2.gz FMJIWNIDBICSQS-UHFFFAOYSA-N 1 3 317.477 2.275 20 0 DEADHO CCC[N@@H+](C)CCC(=O)NCC1CN(Cc2cccc(C)c2)C1 ZINC001419040731 1168153237 /nfs/dbraw/zinc/15/32/37/1168153237.db2.gz FMJIWNIDBICSQS-UHFFFAOYSA-N 1 3 317.477 2.275 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@@H](C[N@H+](C)CCCF)C2)CCC1 ZINC001419350575 1168416342 /nfs/dbraw/zinc/41/63/42/1168416342.db2.gz VZWSGUJCUIGCSR-HNNXBMFYSA-N 1 3 313.461 2.001 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@@H](C[N@@H+](C)CCCF)C2)CCC1 ZINC001419350575 1168416350 /nfs/dbraw/zinc/41/63/50/1168416350.db2.gz VZWSGUJCUIGCSR-HNNXBMFYSA-N 1 3 313.461 2.001 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1F ZINC001419424375 1168464425 /nfs/dbraw/zinc/46/44/25/1168464425.db2.gz RKMSTVCTLVJQEN-MRXNPFEDSA-N 1 3 321.440 2.247 20 0 DEADHO Cc1cc(C)cc(C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001419836774 1168866796 /nfs/dbraw/zinc/86/67/96/1168866796.db2.gz KLRFNAZUEVVQAV-SJLPKXTDSA-N 1 3 319.493 2.484 20 0 DEADHO C[C@H](c1cccc(F)c1)N(C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001420286053 1169321136 /nfs/dbraw/zinc/32/11/36/1169321136.db2.gz YICAVMQKFRDIPL-CQSZACIVSA-N 1 3 321.440 2.277 20 0 DEADHO CN(CCNC(=O)CCC[NH+](C)C)[C@H]1CCc2c1cccc2F ZINC001420294106 1169329063 /nfs/dbraw/zinc/32/90/63/1169329063.db2.gz NSQDUUAHNRDHOI-KRWDZBQOSA-N 1 3 321.440 2.203 20 0 DEADHO C[C@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)CN1CC[C@H](C)C1 ZINC001420339229 1169377800 /nfs/dbraw/zinc/37/78/00/1169377800.db2.gz PULJGQLPQVPVME-LSDHHAIUSA-N 1 3 307.482 2.003 20 0 DEADHO CCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)N1CCCC1 ZINC001420501538 1169669539 /nfs/dbraw/zinc/66/95/39/1169669539.db2.gz BYXAPVPNXAVIFF-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)N1CCCC1 ZINC001420501538 1169669566 /nfs/dbraw/zinc/66/95/66/1169669566.db2.gz BYXAPVPNXAVIFF-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CN1CCCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)C/C=C/Cl)C1 ZINC001420936831 1171364453 /nfs/dbraw/zinc/36/44/53/1171364453.db2.gz JDBCFRUABXVWBS-ZRJDUIELSA-N 1 3 313.873 2.004 20 0 DEADHO CN1CCCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)C/C=C/Cl)C1 ZINC001420936831 1171364467 /nfs/dbraw/zinc/36/44/67/1171364467.db2.gz JDBCFRUABXVWBS-ZRJDUIELSA-N 1 3 313.873 2.004 20 0 DEADHO CN(C)C1(C(=O)N2CCC(CC[N@H+](C)CCF)CC2)CCC1 ZINC001422042907 1172250799 /nfs/dbraw/zinc/25/07/99/1172250799.db2.gz WSEZQJJGVLKIRF-UHFFFAOYSA-N 1 3 313.461 2.001 20 0 DEADHO CN(C)C1(C(=O)N2CCC(CC[N@@H+](C)CCF)CC2)CCC1 ZINC001422042907 1172250807 /nfs/dbraw/zinc/25/08/07/1172250807.db2.gz WSEZQJJGVLKIRF-UHFFFAOYSA-N 1 3 313.461 2.001 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(F)cc2)[C@@H](C)C1 ZINC001422071335 1172273367 /nfs/dbraw/zinc/27/33/67/1172273367.db2.gz ZXBNKIGULNBOGA-YOEHRIQHSA-N 1 3 321.440 2.102 20 0 DEADHO CC(C)[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001422110014 1172309465 /nfs/dbraw/zinc/30/94/65/1172309465.db2.gz QEKWIIKVZAJXDM-WBVHZDCISA-N 1 3 323.525 2.495 20 0 DEADHO CC(C)[C@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccccc1F ZINC001422134613 1172331041 /nfs/dbraw/zinc/33/10/41/1172331041.db2.gz KKTNOAGWJUBWRO-KRWDZBQOSA-N 1 3 323.456 2.396 20 0 DEADHO CN(CCN(C)[C@@H]1CCc2c1cccc2F)C(=O)CC[NH+](C)C ZINC001422193355 1172383919 /nfs/dbraw/zinc/38/39/19/1172383919.db2.gz AXERQUGLJHCCRC-QGZVFWFLSA-N 1 3 321.440 2.155 20 0 DEADHO CN(C)Cc1cccc(C(=O)N(C)CC[N@H+](C)CC2CC2)c1 ZINC001422234881 1172420588 /nfs/dbraw/zinc/42/05/88/1172420588.db2.gz TUYZEHUBBGLBFB-UHFFFAOYSA-N 1 3 303.450 2.162 20 0 DEADHO CN(C)Cc1cccc(C(=O)N(C)CC[N@@H+](C)CC2CC2)c1 ZINC001422234881 1172420597 /nfs/dbraw/zinc/42/05/97/1172420597.db2.gz TUYZEHUBBGLBFB-UHFFFAOYSA-N 1 3 303.450 2.162 20 0 DEADHO CC[C@@H](C(=O)N(C)C1CCC([NH2+]CCC2CC2)CC1)N(C)C ZINC001422422331 1172574971 /nfs/dbraw/zinc/57/49/71/1172574971.db2.gz OLRPOPOJLLNVOS-JCYILVPMSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CC1CC(F)(F)C1)N(C)C ZINC001422520211 1172671284 /nfs/dbraw/zinc/67/12/84/1172671284.db2.gz RJNXEJYMHZFAAR-OCCSQVGLSA-N 1 3 319.440 2.054 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CC1CC(F)(F)C1)N(C)C ZINC001422520211 1172671292 /nfs/dbraw/zinc/67/12/92/1172671292.db2.gz RJNXEJYMHZFAAR-OCCSQVGLSA-N 1 3 319.440 2.054 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[N@H+](C)CC1CCCCC1 ZINC001422567400 1172717113 /nfs/dbraw/zinc/71/71/13/1172717113.db2.gz VQBBNNVLLDJRQL-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[N@@H+](C)CC1CCCCC1 ZINC001422567400 1172717117 /nfs/dbraw/zinc/71/71/17/1172717117.db2.gz VQBBNNVLLDJRQL-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[N@H+](C)CCCF ZINC001422600810 1172750350 /nfs/dbraw/zinc/75/03/50/1172750350.db2.gz JMBAWMCIEZWRDO-AWEZNQCLSA-N 1 3 309.429 2.158 20 0 DEADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[N@@H+](C)CCCF ZINC001422600810 1172750355 /nfs/dbraw/zinc/75/03/55/1172750355.db2.gz JMBAWMCIEZWRDO-AWEZNQCLSA-N 1 3 309.429 2.158 20 0 DEADHO C[C@@H](C[NH2+][C@@H](C)c1cccc(F)c1)NC(=O)C1(N(C)C)CCC1 ZINC001422660430 1172796858 /nfs/dbraw/zinc/79/68/58/1172796858.db2.gz MEOMJHYBPDIESB-KBPBESRZSA-N 1 3 321.440 2.465 20 0 DEADHO C[C@@H](NC(=O)CN1CC[C@H](C)C1)C1C[NH+](CCCC2CCC2)C1 ZINC001422751073 1172842774 /nfs/dbraw/zinc/84/27/74/1172842774.db2.gz LUXMKKGCLHSOIZ-JKSUJKDBSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)NC/C=C\Cl ZINC001423075278 1173059678 /nfs/dbraw/zinc/05/96/78/1173059678.db2.gz FOHJIOKTXXXPLN-NEFCLYRVSA-N 1 3 315.889 2.296 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)NC/C=C\Cl ZINC001423075278 1173059684 /nfs/dbraw/zinc/05/96/84/1173059684.db2.gz FOHJIOKTXXXPLN-NEFCLYRVSA-N 1 3 315.889 2.296 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@H+](CCC(C)C)C2)C1 ZINC001423379331 1173317472 /nfs/dbraw/zinc/31/74/72/1173317472.db2.gz REMWUTSFQKZNFK-SFHVURJKSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@@H+](CCC(C)C)C2)C1 ZINC001423379331 1173317482 /nfs/dbraw/zinc/31/74/82/1173317482.db2.gz REMWUTSFQKZNFK-SFHVURJKSA-N 1 3 309.498 2.299 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]2C[N@@H+](C(C)C)C[C@H]21)N(CC)CC ZINC001424045007 1173627135 /nfs/dbraw/zinc/62/71/35/1173627135.db2.gz YAKIUBCBHHSEAQ-YESZJQIVSA-N 1 3 309.498 2.438 20 0 DEADHO CC[N@@H+]1CCc2c(CNC(=O)[C@@H](C(C)C)N(C)C)cccc2C1 ZINC001424146866 1173671039 /nfs/dbraw/zinc/67/10/39/1173671039.db2.gz VADHQRSYSXWUGH-GOSISDBHSA-N 1 3 317.477 2.267 20 0 DEADHO CC[N@H+]1CCc2c(CNC(=O)[C@@H](C(C)C)N(C)C)cccc2C1 ZINC001424146866 1173671043 /nfs/dbraw/zinc/67/10/43/1173671043.db2.gz VADHQRSYSXWUGH-GOSISDBHSA-N 1 3 317.477 2.267 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(C)C(C)(C)C1(C)C ZINC001434174573 1178308436 /nfs/dbraw/zinc/30/84/36/1178308436.db2.gz XYWQUIINDFSUQA-AWEZNQCLSA-N 1 3 311.514 2.447 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(C)C(C)(C)C1(C)C ZINC001434174573 1178308445 /nfs/dbraw/zinc/30/84/45/1178308445.db2.gz XYWQUIINDFSUQA-AWEZNQCLSA-N 1 3 311.514 2.447 20 0 DEADHO COc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)c(C)c1OC ZINC001434519081 1178747174 /nfs/dbraw/zinc/74/71/74/1178747174.db2.gz XHOHIFYKDQKFOK-HRCADAONSA-N 1 3 304.434 2.442 20 0 DEADHO C[C@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001436360066 1179062203 /nfs/dbraw/zinc/06/22/03/1179062203.db2.gz OLMQPNCUVFDPQH-SOUVJXGZSA-N 1 3 315.477 2.197 20 0 DEADHO CC[C@H](C(=O)N1CCCCC[C@H](NCCF)C1)[NH+](CC)CC ZINC001436475004 1179130190 /nfs/dbraw/zinc/13/01/90/1179130190.db2.gz JRQVHNVZVNPVSB-JKSUJKDBSA-N 1 3 315.477 2.437 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC12CC[NH+](CC1CC(C)C1)CC2 ZINC001436765225 1179226588 /nfs/dbraw/zinc/22/65/88/1179226588.db2.gz RPSVDDBDTVONHN-JCYILVPMSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]2C[N@H+](CCC3CC3)CC[C@H]21 ZINC001436939107 1179310906 /nfs/dbraw/zinc/31/09/06/1179310906.db2.gz AGVUUYDINKFJQK-ZWKOTPCHSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]2C[N@@H+](CCC3CC3)CC[C@H]21 ZINC001436939107 1179310910 /nfs/dbraw/zinc/31/09/10/1179310910.db2.gz AGVUUYDINKFJQK-ZWKOTPCHSA-N 1 3 321.509 2.440 20 0 DEADHO Cc1ccc(C)c(C[NH2+][C@@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001437143579 1179481062 /nfs/dbraw/zinc/48/10/62/1179481062.db2.gz HLOVRJAJBWCQJX-INIZCTEOSA-N 1 3 317.477 2.382 20 0 DEADHO CN(CC(=O)N[C@@H]1CCC[C@@H]([NH2+]C/C=C\Cl)C1)C1CCC1 ZINC001437342527 1179743105 /nfs/dbraw/zinc/74/31/05/1179743105.db2.gz YPOBZSTVOKJOLM-LTZSUWJESA-N 1 3 313.873 2.240 20 0 DEADHO CN(CC(=O)N[C@@H]1CCC[C@H]([NH2+]C/C=C\Cl)C1)C1CCC1 ZINC001437342529 1179743804 /nfs/dbraw/zinc/74/38/04/1179743804.db2.gz YPOBZSTVOKJOLM-WOHRWDJGSA-N 1 3 313.873 2.240 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1ccccc1 ZINC001437480452 1179819108 /nfs/dbraw/zinc/81/91/08/1179819108.db2.gz LLRMFYGGVAFIFI-SFHVURJKSA-N 1 3 317.477 2.355 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1ccccc1 ZINC001437480452 1179819110 /nfs/dbraw/zinc/81/91/10/1179819110.db2.gz LLRMFYGGVAFIFI-SFHVURJKSA-N 1 3 317.477 2.355 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)C[C@H]2CC[N@H+](C)C2)cc1C ZINC001437542880 1179841284 /nfs/dbraw/zinc/84/12/84/1179841284.db2.gz WDXLUJSNUCMITE-GOSISDBHSA-N 1 3 317.477 2.193 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1C ZINC001437542880 1179841285 /nfs/dbraw/zinc/84/12/85/1179841285.db2.gz WDXLUJSNUCMITE-GOSISDBHSA-N 1 3 317.477 2.193 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001437851422 1180029957 /nfs/dbraw/zinc/02/99/57/1180029957.db2.gz HAERNHRHTBXUHS-CQSZACIVSA-N 1 3 309.429 2.277 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001437944085 1180095335 /nfs/dbraw/zinc/09/53/35/1180095335.db2.gz VHZOMCQWAFRXEO-IAGOWNOFSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001437944085 1180095342 /nfs/dbraw/zinc/09/53/42/1180095342.db2.gz VHZOMCQWAFRXEO-IAGOWNOFSA-N 1 3 311.514 2.447 20 0 DEADHO CC[N@H+](C)CCC(=O)NCC1CN([C@@H](C)c2cccc(C)c2)C1 ZINC001438145705 1180215516 /nfs/dbraw/zinc/21/55/16/1180215516.db2.gz LTXMQZIIIURGSK-INIZCTEOSA-N 1 3 317.477 2.446 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCC1CN([C@@H](C)c2cccc(C)c2)C1 ZINC001438145705 1180215526 /nfs/dbraw/zinc/21/55/26/1180215526.db2.gz LTXMQZIIIURGSK-INIZCTEOSA-N 1 3 317.477 2.446 20 0 DEADHO CC[C@@H](CNC(=O)[C@@H]1CCCCN1CC)[NH2+]Cc1cncs1 ZINC001438373077 1180378336 /nfs/dbraw/zinc/37/83/36/1180378336.db2.gz JZSJEJXFVGMWEG-ZFWWWQNUSA-N 1 3 324.494 2.002 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)CN(C)C2CCC2)cc1 ZINC001438501174 1180501348 /nfs/dbraw/zinc/50/13/48/1180501348.db2.gz VBSYAZPQFWRLLA-MRXNPFEDSA-N 1 3 317.477 2.321 20 0 DEADHO CC(C)[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)[NH2+]CC1CC1 ZINC001438835142 1180826100 /nfs/dbraw/zinc/82/61/00/1180826100.db2.gz ORDVYLARUBNTJD-DOTOQJQBSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1cccc(C)c1CN(C)CCN(C)C(=O)CC[NH+](C)C ZINC001438902846 1180845899 /nfs/dbraw/zinc/84/58/99/1180845899.db2.gz BCJVNGYLHNGYTJ-UHFFFAOYSA-N 1 3 305.466 2.145 20 0 DEADHO CCc1cccc(CN(C)CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001438940315 1180859918 /nfs/dbraw/zinc/85/99/18/1180859918.db2.gz XHHNPUSQAUOCBP-GOSISDBHSA-N 1 3 317.477 2.091 20 0 DEADHO CCc1cccc(CN(C)CCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001438940315 1180859920 /nfs/dbraw/zinc/85/99/20/1180859920.db2.gz XHHNPUSQAUOCBP-GOSISDBHSA-N 1 3 317.477 2.091 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@H](C)c1cccc(F)c1)N(C)C ZINC001439154471 1180899161 /nfs/dbraw/zinc/89/91/61/1180899161.db2.gz PDODHCPDPJJQJW-IOASZLSFSA-N 1 3 309.429 2.321 20 0 DEADHO CC(C)CC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H](C)C1 ZINC001439776255 1181231505 /nfs/dbraw/zinc/23/15/05/1181231505.db2.gz HIMBCEKAAYUYAQ-HOTGVXAUSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)C[C@H]2CC[N@@H+]2CCCC2CCC2)C1 ZINC001440241505 1181397922 /nfs/dbraw/zinc/39/79/22/1181397922.db2.gz JPBSCVUFXLJAFU-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)C[C@H]2CC[N@H+]2CCCC2CCC2)C1 ZINC001440241505 1181397928 /nfs/dbraw/zinc/39/79/28/1181397928.db2.gz JPBSCVUFXLJAFU-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001440334046 1181452821 /nfs/dbraw/zinc/45/28/21/1181452821.db2.gz LQMNAHURDVVEPX-VGWMRTNUSA-N 1 3 313.461 2.092 20 0 DEADHO CC(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001440512659 1181573697 /nfs/dbraw/zinc/57/36/97/1181573697.db2.gz RZJDZBNNTQSDIY-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001440512659 1181573699 /nfs/dbraw/zinc/57/36/99/1181573699.db2.gz RZJDZBNNTQSDIY-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO C[NH+](C)CCC(=O)N1CCC[C@]2(CCN(C/C=C/Cl)C2)C1 ZINC001440540282 1181588781 /nfs/dbraw/zinc/58/87/81/1181588781.db2.gz TVNDEWGRLJRTDN-KZJSRBBCSA-N 1 3 313.873 2.005 20 0 DEADHO C[NH+](C)CCC(=O)N1CCC[C@]2(CCN(C/C=C\Cl)C2)C1 ZINC001440540284 1181589282 /nfs/dbraw/zinc/58/92/82/1181589282.db2.gz TVNDEWGRLJRTDN-LWAXHKBTSA-N 1 3 313.873 2.005 20 0 DEADHO C[N@H+](CCCC1CCC1)C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001440729164 1181659462 /nfs/dbraw/zinc/65/94/62/1181659462.db2.gz QPSNUNSZOQLLFV-QGZVFWFLSA-N 1 3 318.465 2.455 20 0 DEADHO C[N@@H+](CCCC1CCC1)C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001440729164 1181659471 /nfs/dbraw/zinc/65/94/71/1181659471.db2.gz QPSNUNSZOQLLFV-QGZVFWFLSA-N 1 3 318.465 2.455 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H](C)N(C)Cc1ccc(F)cc1)[NH+](C)C ZINC001440967476 1181804358 /nfs/dbraw/zinc/80/43/58/1181804358.db2.gz LQMMSYPEOPTHGN-RHSMWYFYSA-N 1 3 323.456 2.348 20 0 DEADHO C[C@@H](NC(=O)CC[NH+](C)C)C1CN([C@@H](C)c2ccccc2)C1 ZINC001441179224 1181884933 /nfs/dbraw/zinc/88/49/33/1181884933.db2.gz LARCRCBNPPJYTR-CABCVRRESA-N 1 3 303.450 2.136 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@@H]([NH2+]CC2CC(C)(C)C2)C2CC2)C1 ZINC001441233607 1181907067 /nfs/dbraw/zinc/90/70/67/1181907067.db2.gz ZVUWMCPNPFYVEH-WMLDXEAASA-N 1 3 321.509 2.249 20 0 DEADHO CC(C)CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001441325392 1181944272 /nfs/dbraw/zinc/94/42/72/1181944272.db2.gz OKSRWQLLLJKQIA-YESZJQIVSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001441325392 1181944275 /nfs/dbraw/zinc/94/42/75/1181944275.db2.gz OKSRWQLLLJKQIA-YESZJQIVSA-N 1 3 307.482 2.050 20 0 DEADHO CN(C/C=C/Cl)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001441387552 1181969419 /nfs/dbraw/zinc/96/94/19/1181969419.db2.gz PDPRHSKZIWPXBW-RUDMXATFSA-N 1 3 313.873 2.004 20 0 DEADHO CCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001441460891 1182005789 /nfs/dbraw/zinc/00/57/89/1182005789.db2.gz MREIYYKEPQFYNE-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001441460891 1182005793 /nfs/dbraw/zinc/00/57/93/1182005793.db2.gz MREIYYKEPQFYNE-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001441520752 1182038812 /nfs/dbraw/zinc/03/88/12/1182038812.db2.gz GALPIGGYUVMUDT-CAOSSQGBSA-N 1 3 313.461 2.234 20 0 DEADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+][C@H]1CCc2ccccc21 ZINC001441594565 1182080201 /nfs/dbraw/zinc/08/02/01/1182080201.db2.gz CAHGVYJPHHDSFS-DYVFJYSZSA-N 1 3 312.417 2.076 20 0 DEADHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)NCc1cccc(F)c1 ZINC001442110346 1182324846 /nfs/dbraw/zinc/32/48/46/1182324846.db2.gz IGWKAFBOVWKNLD-HNNXBMFYSA-N 1 3 321.440 2.296 20 0 DEADHO CCC(CC)C[N@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001442211226 1182368017 /nfs/dbraw/zinc/36/80/17/1182368017.db2.gz IBUWSNWWXJAECC-INIZCTEOSA-N 1 3 306.454 2.311 20 0 DEADHO CCC(CC)C[N@@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001442211226 1182368023 /nfs/dbraw/zinc/36/80/23/1182368023.db2.gz IBUWSNWWXJAECC-INIZCTEOSA-N 1 3 306.454 2.311 20 0 DEADHO Cc1ccc(F)c(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCCN2C)c1 ZINC001442244271 1182388300 /nfs/dbraw/zinc/38/83/00/1182388300.db2.gz RCYPGRHISHYUBW-RHSMWYFYSA-N 1 3 321.440 2.213 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001442824607 1182729752 /nfs/dbraw/zinc/72/97/52/1182729752.db2.gz ZXJVIRBPWDLSDV-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001442824607 1182729758 /nfs/dbraw/zinc/72/97/58/1182729758.db2.gz ZXJVIRBPWDLSDV-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001443273752 1182899595 /nfs/dbraw/zinc/89/95/95/1182899595.db2.gz RNMJJKJMBNBSGH-MSOLQXFVSA-N 1 3 321.509 2.489 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001443273752 1182899596 /nfs/dbraw/zinc/89/95/96/1182899596.db2.gz RNMJJKJMBNBSGH-MSOLQXFVSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)C[C@H](C)C[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001443336102 1182938453 /nfs/dbraw/zinc/93/84/53/1182938453.db2.gz PUTUIYWOMJFPOM-HOTGVXAUSA-N 1 3 320.481 2.415 20 0 DEADHO CC(C)C[C@H](C)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001443336102 1182938457 /nfs/dbraw/zinc/93/84/57/1182938457.db2.gz PUTUIYWOMJFPOM-HOTGVXAUSA-N 1 3 320.481 2.415 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC(C[N@H+](C)CCCF)CC1)N(C)C ZINC001443364599 1182953273 /nfs/dbraw/zinc/95/32/73/1182953273.db2.gz RPTWADXJQGKZNF-MRXNPFEDSA-N 1 3 315.477 2.103 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC(C[N@@H+](C)CCCF)CC1)N(C)C ZINC001443364599 1182953282 /nfs/dbraw/zinc/95/32/82/1182953282.db2.gz RPTWADXJQGKZNF-MRXNPFEDSA-N 1 3 315.477 2.103 20 0 DEADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1ccccc1Cl ZINC001444044225 1183271444 /nfs/dbraw/zinc/27/14/44/1183271444.db2.gz RVNJIHCVTSMWOK-CABCVRRESA-N 1 3 323.868 2.276 20 0 DEADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1ccccc1Cl ZINC001444044225 1183271453 /nfs/dbraw/zinc/27/14/53/1183271453.db2.gz RVNJIHCVTSMWOK-CABCVRRESA-N 1 3 323.868 2.276 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC001445224556 1183812307 /nfs/dbraw/zinc/81/23/07/1183812307.db2.gz FGZZNLRNQIYCHZ-UHFFFAOYSA-N 1 3 304.438 2.174 20 0 DEADHO CC(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CC1 ZINC001445978285 1184160487 /nfs/dbraw/zinc/16/04/87/1184160487.db2.gz JFEPRIYDSZEUGF-IRXDYDNUSA-N 1 3 309.498 2.390 20 0 DEADHO CC(C)CN1CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001446120219 1184235172 /nfs/dbraw/zinc/23/51/72/1184235172.db2.gz DSHWFDBVPPPPNZ-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO C[NH+](C)CCC(=O)N[C@@]1(C)CCN(C/C=C\c2ccccc2)C1 ZINC001446553951 1184409272 /nfs/dbraw/zinc/40/92/72/1184409272.db2.gz DAEQEMGEGZVHBI-KWEPMOPPSA-N 1 3 315.461 2.232 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001446940778 1184585086 /nfs/dbraw/zinc/58/50/86/1184585086.db2.gz KOYYOXMKQWHNAD-RDJZCZTQSA-N 1 3 309.498 2.203 20 0 DEADHO Cc1ccccc1C[N@@H+](C)CCCN(C)C(=O)CN1CCCC1 ZINC001447378309 1184751605 /nfs/dbraw/zinc/75/16/05/1184751605.db2.gz PWVRSBYCSWFFNP-UHFFFAOYSA-N 1 3 317.477 2.371 20 0 DEADHO Cc1ccccc1C[N@H+](C)CCCN(C)C(=O)CN1CCCC1 ZINC001447378309 1184751608 /nfs/dbraw/zinc/75/16/08/1184751608.db2.gz PWVRSBYCSWFFNP-UHFFFAOYSA-N 1 3 317.477 2.371 20 0 DEADHO CC(C)CC[NH2+]C1(C)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001447546654 1184807208 /nfs/dbraw/zinc/80/72/08/1184807208.db2.gz FTEINYXHYBXJFL-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C)c2)[C@@H]1C ZINC001448971512 1185466485 /nfs/dbraw/zinc/46/64/85/1185466485.db2.gz BKVRQJGYAUHTNQ-FUHWJXTLSA-N 1 3 317.477 2.416 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C)c2)[C@H]1C ZINC001448971511 1185466568 /nfs/dbraw/zinc/46/65/68/1185466568.db2.gz BKVRQJGYAUHTNQ-AEFFLSMTSA-N 1 3 317.477 2.416 20 0 DEADHO CN(C(=O)CCC[NH+](C)C)C1CC(NCc2ccccc2F)C1 ZINC001449388120 1185693766 /nfs/dbraw/zinc/69/37/66/1185693766.db2.gz XQQQRESSDZGIIR-UHFFFAOYSA-N 1 3 321.440 2.247 20 0 DEADHO CC[N@H+](C)CCC(=O)N(C)C1CC(NCc2ccccc2F)C1 ZINC001449399455 1185700009 /nfs/dbraw/zinc/70/00/09/1185700009.db2.gz VOMNOAQLFZFIMT-UHFFFAOYSA-N 1 3 321.440 2.247 20 0 DEADHO CC[N@@H+](C)CCC(=O)N(C)C1CC(NCc2ccccc2F)C1 ZINC001449399455 1185700014 /nfs/dbraw/zinc/70/00/14/1185700014.db2.gz VOMNOAQLFZFIMT-UHFFFAOYSA-N 1 3 321.440 2.247 20 0 DEADHO C[C@@H]1CN(c2cc(OC3CC[NH+](C)CC3)ccn2)[C@H](C)CN1C ZINC001164631735 719251564 /nfs/dbraw/zinc/25/15/64/719251564.db2.gz FSULFFHHURVWTG-HUUCEWRRSA-N 1 3 318.465 2.083 20 0 DEADHO CN(C)c1cc[nH+]c(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)c1 ZINC001164731059 720379850 /nfs/dbraw/zinc/37/98/50/720379850.db2.gz YRIUFQRTDWWHFF-MSOLQXFVSA-N 1 3 323.444 2.396 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C)ccc2F)C1)N(C)C ZINC001370549850 1149808979 /nfs/dbraw/zinc/80/89/79/1149808979.db2.gz SVTDWRIXYKRKDG-BFYDXBDKSA-N 1 3 321.440 2.211 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1)N(C)C ZINC001370675131 1149826763 /nfs/dbraw/zinc/82/67/63/1149826763.db2.gz DJPNMWKVYHITOF-XHSDSOJGSA-N 1 3 323.868 2.417 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001407039528 1164937982 /nfs/dbraw/zinc/93/79/82/1164937982.db2.gz LJRNHPBNZFODCD-SFHVURJKSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001407039528 1164937986 /nfs/dbraw/zinc/93/79/86/1164937986.db2.gz LJRNHPBNZFODCD-SFHVURJKSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106255661 782579788 /nfs/dbraw/zinc/57/97/88/782579788.db2.gz CYORDYHKPWCHDD-HZPDHXFCSA-N 1 3 307.482 2.121 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]C/C=C/Cl)[C@H](C)C1 ZINC001106336463 782660056 /nfs/dbraw/zinc/66/00/56/782660056.db2.gz PDZVNULYODXKPK-GODNBWANSA-N 1 3 315.889 2.153 20 0 DEADHO CC(C)CC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001106666485 782841503 /nfs/dbraw/zinc/84/15/03/782841503.db2.gz MFUHXUXHKAWRJJ-GVDBMIGSSA-N 1 3 309.498 2.058 20 0 DEADHO CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106704893 782871015 /nfs/dbraw/zinc/87/10/15/782871015.db2.gz HRRHFTGWDFHENU-ILNYKDOHSA-N 1 3 318.465 2.383 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CC[N@H+](CC2CC2)CC(C)(C)C1 ZINC001089492427 783157654 /nfs/dbraw/zinc/15/76/54/783157654.db2.gz JZEWFZIBBFZOGS-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1 ZINC001089492427 783157664 /nfs/dbraw/zinc/15/76/64/783157664.db2.gz JZEWFZIBBFZOGS-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC3(C2)CC[N@H+](CC2CCC2)C3)C1 ZINC001072983342 790357392 /nfs/dbraw/zinc/35/73/92/790357392.db2.gz SEFFWQOFIXNBIT-UHFFFAOYSA-N 1 3 319.493 2.053 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC3(C2)CC[N@@H+](CC2CCC2)C3)C1 ZINC001072983342 790357406 /nfs/dbraw/zinc/35/74/06/790357406.db2.gz SEFFWQOFIXNBIT-UHFFFAOYSA-N 1 3 319.493 2.053 20 0 DEADHO CN(C)C1(C(=O)NCC2([NH2+]CC3CC3)CCCCC2)CCC1 ZINC001115571712 776556721 /nfs/dbraw/zinc/55/67/21/776556721.db2.gz LSBNIJXVFHGJQO-UHFFFAOYSA-N 1 3 307.482 2.289 20 0 DEADHO CN(C)[C@@H](C(=O)NCC1CC([NH2+]CC2CCCCC2)C1)C1CC1 ZINC001100408100 776615365 /nfs/dbraw/zinc/61/53/65/776615365.db2.gz VATQZPCQAJZYJK-VMWRSERWSA-N 1 3 321.509 2.391 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC[NH2+]CC1CCC1 ZINC001104287366 776898004 /nfs/dbraw/zinc/89/80/04/776898004.db2.gz DNNREDJJNILHJY-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+]CC[C@@H](C)F ZINC001167628088 777405625 /nfs/dbraw/zinc/40/56/25/777405625.db2.gz WCPKEMFJMIWJQL-CABCVRRESA-N 1 3 301.450 2.093 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC=C(C)C)C1)N(C)C ZINC001104690741 778025665 /nfs/dbraw/zinc/02/56/65/778025665.db2.gz JGONCWGRFXJUSR-ZACQAIPSSA-N 1 3 309.498 2.367 20 0 DEADHO CCCN(C)CC(=O)NCCC1(C[NH2+]CCC(F)(F)F)CC1 ZINC001167814883 778654959 /nfs/dbraw/zinc/65/49/59/778654959.db2.gz JCDNTANHALHIIY-UHFFFAOYSA-N 1 3 323.403 2.157 20 0 DEADHO CCCN(C)CC(=O)NCCC1(C[NH2+]Cc2ccsc2)CC1 ZINC001167835493 778690544 /nfs/dbraw/zinc/69/05/44/778690544.db2.gz HGEMOSPWJFFLFC-UHFFFAOYSA-N 1 3 323.506 2.466 20 0 DEADHO CC[NH+](CC)CCC[C@H](C)N1CCN(c2cc(C)ncn2)CC1 ZINC001167835698 778692618 /nfs/dbraw/zinc/69/26/18/778692618.db2.gz SXUBUMMHKDBCHY-KRWDZBQOSA-N 1 3 319.497 2.418 20 0 DEADHO CC[NH+](CC)CCC[C@@H](C)N1CCN(c2ncccc2N)CC1 ZINC001167837452 778695424 /nfs/dbraw/zinc/69/54/24/778695424.db2.gz KPFMURFGZWUGTB-MRXNPFEDSA-N 1 3 319.497 2.296 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC=C(C)C)C2 ZINC001073462498 790671624 /nfs/dbraw/zinc/67/16/24/790671624.db2.gz UJDNOAGZLUCCIF-KRWDZBQOSA-N 1 3 319.493 2.361 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC=C(C)C)C2 ZINC001073462498 790671631 /nfs/dbraw/zinc/67/16/31/790671631.db2.gz UJDNOAGZLUCCIF-KRWDZBQOSA-N 1 3 319.493 2.361 20 0 DEADHO C[C@@H]1C[C@@H]([N@@H+]2CCNC(=O)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168039738 779573996 /nfs/dbraw/zinc/57/39/96/779573996.db2.gz HXDGVVFYCJVGPM-ALXJQNPVSA-N 1 3 315.461 2.250 20 0 DEADHO C[C@@H]1C[C@@H]([N@H+]2CCNC(=O)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168039738 779573997 /nfs/dbraw/zinc/57/39/97/779573997.db2.gz HXDGVVFYCJVGPM-ALXJQNPVSA-N 1 3 315.461 2.250 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC([N@H+](C)CCC2CC2)CC1)C1CC1 ZINC000985467587 779847864 /nfs/dbraw/zinc/84/78/64/779847864.db2.gz KZKQMVAJDDLHDS-QGZVFWFLSA-N 1 3 307.482 2.050 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC([N@@H+](C)CCC2CC2)CC1)C1CC1 ZINC000985467587 779847870 /nfs/dbraw/zinc/84/78/70/779847870.db2.gz KZKQMVAJDDLHDS-QGZVFWFLSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001088326849 779959034 /nfs/dbraw/zinc/95/90/34/779959034.db2.gz ZDXSWPZBYFQSQU-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CN(C)[C@H](C(=O)N1CCCCC[C@H]([NH2+]CC2CC2)C1)C1CC1 ZINC001088327587 779960290 /nfs/dbraw/zinc/96/02/90/779960290.db2.gz QZXKDJZDJQFXLH-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N2CCCCC[C@@H](NCCF)C2)CC[N@@H+]1C ZINC001088369969 780031899 /nfs/dbraw/zinc/03/18/99/780031899.db2.gz XGQGOCAMEGAUHW-HRCADAONSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N2CCCCC[C@@H](NCCF)C2)CC[N@H+]1C ZINC001088369969 780031908 /nfs/dbraw/zinc/03/19/08/780031908.db2.gz XGQGOCAMEGAUHW-HRCADAONSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCCC[C@@H]([NH2+]CCC3CC3)C2)C1 ZINC001088381929 780050791 /nfs/dbraw/zinc/05/07/91/780050791.db2.gz QBRPBCIGCURDQI-SJLPKXTDSA-N 1 3 321.509 2.489 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CCF)C1 ZINC001088431470 780119299 /nfs/dbraw/zinc/11/92/99/780119299.db2.gz WPTOFGNAVHRFKA-JKSUJKDBSA-N 1 3 313.461 2.191 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1C1(C[NH2+]CC)CCC1 ZINC001105574535 780771076 /nfs/dbraw/zinc/77/10/76/780771076.db2.gz AOVBRAYGMFBTAU-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)CC[N@@H+]1CC1CCC1 ZINC001088768791 780969027 /nfs/dbraw/zinc/96/90/27/780969027.db2.gz DSSHJGOBRCYUGP-FHLIZLRMSA-N 1 3 319.493 2.240 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)CC[N@H+]1CC1CCC1 ZINC001088768791 780969029 /nfs/dbraw/zinc/96/90/29/780969029.db2.gz DSSHJGOBRCYUGP-FHLIZLRMSA-N 1 3 319.493 2.240 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001076322105 781216489 /nfs/dbraw/zinc/21/64/89/781216489.db2.gz GLVPGFYKNZYVAD-OKZBNKHCSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001076322105 781216498 /nfs/dbraw/zinc/21/64/98/781216498.db2.gz GLVPGFYKNZYVAD-OKZBNKHCSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCC[NH2+]CC1CC2(CCC2)C1 ZINC001127081916 781733796 /nfs/dbraw/zinc/73/37/96/781733796.db2.gz GAKAOLAMGWUVFW-MRXNPFEDSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN[C@@H](C)c1ccccc1F ZINC001127082238 781733956 /nfs/dbraw/zinc/73/39/56/781733956.db2.gz MYFVZPVUROUEIL-YOEHRIQHSA-N 1 3 321.440 2.465 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN[C@@H](C)c1ccccc1F ZINC001127082238 781733961 /nfs/dbraw/zinc/73/39/61/781733961.db2.gz MYFVZPVUROUEIL-YOEHRIQHSA-N 1 3 321.440 2.465 20 0 DEADHO CCN1CCC2(CCN(C3CC[NH+](CC4CC4)CC3)CC2)C1=O ZINC001168389436 781777839 /nfs/dbraw/zinc/77/78/39/781777839.db2.gz QENIGYYCANJEHJ-UHFFFAOYSA-N 1 3 319.493 2.195 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CC2CCC2)[C@H](C)C1 ZINC000947980663 783283484 /nfs/dbraw/zinc/28/34/84/783283484.db2.gz QZDIQQXTTLQJRP-DOMZBBRYSA-N 1 3 304.438 2.030 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CC2CCC2)[C@H](C)C1 ZINC000947980663 783283494 /nfs/dbraw/zinc/28/34/94/783283494.db2.gz QZDIQQXTTLQJRP-DOMZBBRYSA-N 1 3 304.438 2.030 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CCC2CC2)[C@H](C)C1 ZINC000947979867 783284306 /nfs/dbraw/zinc/28/43/06/783284306.db2.gz MINPNWCLVUCBQD-DOMZBBRYSA-N 1 3 304.438 2.030 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CCC2CC2)[C@H](C)C1 ZINC000947979867 783284310 /nfs/dbraw/zinc/28/43/10/783284310.db2.gz MINPNWCLVUCBQD-DOMZBBRYSA-N 1 3 304.438 2.030 20 0 DEADHO CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001089820750 783480507 /nfs/dbraw/zinc/48/05/07/783480507.db2.gz OOYUBLOTMSIGEJ-HZMVEIRTSA-N 1 3 319.493 2.050 20 0 DEADHO CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001089820750 783480511 /nfs/dbraw/zinc/48/05/11/783480511.db2.gz OOYUBLOTMSIGEJ-HZMVEIRTSA-N 1 3 319.493 2.050 20 0 DEADHO CCN1CC[C@@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967423540 783994464 /nfs/dbraw/zinc/99/44/64/783994464.db2.gz GNWQTLURFJMGPH-CRAIPNDOSA-N 1 3 317.477 2.251 20 0 DEADHO CCCCN1CC[C@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085918288 784212336 /nfs/dbraw/zinc/21/23/36/784212336.db2.gz ZAILCTJMWNXJFX-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C[C@@H]1CCN1CCCC1CCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001085968410 784266446 /nfs/dbraw/zinc/26/64/46/784266446.db2.gz JABLRLKISBVBTR-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C[C@@H]1CCN1CCCC1CCCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001085968410 784266452 /nfs/dbraw/zinc/26/64/52/784266452.db2.gz JABLRLKISBVBTR-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CC2)C1 ZINC001086102142 784410497 /nfs/dbraw/zinc/41/04/97/784410497.db2.gz LAJZLFGKWBFGRR-IXDOHACOSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC2)C1 ZINC001086217057 784497378 /nfs/dbraw/zinc/49/73/78/784497378.db2.gz LQKLLDWDJNDFCS-IXDOHACOSA-N 1 3 307.482 2.144 20 0 DEADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC000968904294 784644132 /nfs/dbraw/zinc/64/41/32/784644132.db2.gz NIVACPWUDLHPJL-QGZVFWFLSA-N 1 3 315.461 2.170 20 0 DEADHO CCc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)C2)cc1 ZINC000969077208 784716370 /nfs/dbraw/zinc/71/63/70/784716370.db2.gz LNWRMADEXDAXSD-QZTJIDSGSA-N 1 3 317.477 2.280 20 0 DEADHO CCCN1C[C@@H]2C[NH+](C3CCC(C)(C(=O)OC)CC3)C[C@H]2C1 ZINC001168794636 784912686 /nfs/dbraw/zinc/91/26/86/784912686.db2.gz WRWQUSZPVABVFU-RSIVFMTNSA-N 1 3 308.466 2.382 20 0 DEADHO CN1CCCC[C@H]1c1ccc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)nc1 ZINC001168811119 784925201 /nfs/dbraw/zinc/92/52/01/784925201.db2.gz HOYFQDAMCAQWMT-WBVHZDCISA-N 1 3 311.433 2.240 20 0 DEADHO CC(C)N1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001007497841 784935553 /nfs/dbraw/zinc/93/55/53/784935553.db2.gz GBUWJJVVOUTSKK-DOTOQJQBSA-N 1 3 307.482 2.382 20 0 DEADHO CC(C)N1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001007497841 784935557 /nfs/dbraw/zinc/93/55/57/784935557.db2.gz GBUWJJVVOUTSKK-DOTOQJQBSA-N 1 3 307.482 2.382 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NCCC(=O)OCc1ccccc1)C2 ZINC001169100483 785033972 /nfs/dbraw/zinc/03/39/72/785033972.db2.gz JVTNIOWQOHXXBV-BJWYYQGGSA-N 1 3 302.418 2.335 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NCCC(=O)OCc1ccccc1)C2 ZINC001169100483 785033980 /nfs/dbraw/zinc/03/39/80/785033980.db2.gz JVTNIOWQOHXXBV-BJWYYQGGSA-N 1 3 302.418 2.335 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC001169077858 785036479 /nfs/dbraw/zinc/03/64/79/785036479.db2.gz AULNFOLTMPYXTH-TUVASFSCSA-N 1 3 309.454 2.211 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC001169077858 785036484 /nfs/dbraw/zinc/03/64/84/785036484.db2.gz AULNFOLTMPYXTH-TUVASFSCSA-N 1 3 309.454 2.211 20 0 DEADHO COC(=O)[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1 ZINC001169123962 785046301 /nfs/dbraw/zinc/04/63/01/785046301.db2.gz NYKNKOGQXBAGBQ-WCXIOVBPSA-N 1 3 302.418 2.158 20 0 DEADHO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1cccc(CN)n1 ZINC001169179928 785085973 /nfs/dbraw/zinc/08/59/73/785085973.db2.gz UEXFJIKFEHOLTE-UHFFFAOYSA-N 1 3 310.401 2.302 20 0 DEADHO CC(C)(N)C(C)(C)[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169749423 785335515 /nfs/dbraw/zinc/33/55/15/785335515.db2.gz XUSVGTDHQVJBQX-OAHLLOKOSA-N 1 3 303.450 2.397 20 0 DEADHO C[C@H](CCCC[NH2+]Cc1nccs1)NC(=O)[C@H]1CCCN1C ZINC001169808100 785375044 /nfs/dbraw/zinc/37/50/44/785375044.db2.gz BFEFZDXBIZUBMW-ZIAGYGMSSA-N 1 3 324.494 2.002 20 0 DEADHO CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001109427166 785869074 /nfs/dbraw/zinc/86/90/74/785869074.db2.gz RANJDNKQYHKZTH-QZWWFDLISA-N 1 3 309.498 2.340 20 0 DEADHO CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001109427166 785869076 /nfs/dbraw/zinc/86/90/76/785869076.db2.gz RANJDNKQYHKZTH-QZWWFDLISA-N 1 3 309.498 2.340 20 0 DEADHO O=C(NCCNCc1ccsc1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001129429895 787214125 /nfs/dbraw/zinc/21/41/25/787214125.db2.gz MFKBNWPSSZJMMJ-MRXNPFEDSA-N 1 3 321.490 2.361 20 0 DEADHO O=C(NCCNCc1ccsc1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001129429895 787214131 /nfs/dbraw/zinc/21/41/31/787214131.db2.gz MFKBNWPSSZJMMJ-MRXNPFEDSA-N 1 3 321.490 2.361 20 0 DEADHO CCCc1ccc(C[NH2+]CCNC(=O)CN(C)C2CCC2)cc1 ZINC001129532272 787223062 /nfs/dbraw/zinc/22/30/62/787223062.db2.gz XUCGZMUCGYLVDR-UHFFFAOYSA-N 1 3 317.477 2.329 20 0 DEADHO C[C@H]([NH2+]CCNC(=O)CN(C)C1CCC1)c1cccc(F)c1 ZINC001129534928 787225280 /nfs/dbraw/zinc/22/52/80/787225280.db2.gz DNRDZXLMOFXQBS-ZDUSSCGKSA-N 1 3 307.413 2.077 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[NH2+]CC/C=C\c1ccccc1)N(C)C ZINC001129950256 787262204 /nfs/dbraw/zinc/26/22/04/787262204.db2.gz PKJMATSRFOUQRZ-QCSXQHJISA-N 1 3 317.477 2.382 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001129947097 787264789 /nfs/dbraw/zinc/26/47/89/787264789.db2.gz JTSFTYIPBZNRQB-HNNXBMFYSA-N 1 3 311.857 2.132 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[NH2+]CCCCc1ccccc1)N(C)C ZINC001129947080 787265069 /nfs/dbraw/zinc/26/50/69/787265069.db2.gz JDIAHRNSKLZDSZ-SFHVURJKSA-N 1 3 319.493 2.301 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+]Cc1cccc2ccccc21)N(C)C ZINC001130197888 787314555 /nfs/dbraw/zinc/31/45/55/787314555.db2.gz QEOFBEJNKJITCS-GOSISDBHSA-N 1 3 313.445 2.386 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+][C@H]1CCc2ccc(Cl)cc21)N(C)C ZINC001130203625 787314708 /nfs/dbraw/zinc/31/47/08/787314708.db2.gz RBOREBXVAHMHGI-JKSUJKDBSA-N 1 3 323.868 2.373 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+][C@H](C)c1ccc(Cl)cc1)N(C)C ZINC001130201103 787318016 /nfs/dbraw/zinc/31/80/16/787318016.db2.gz VGUFCEYBHZSDEC-IUODEOHRSA-N 1 3 311.857 2.447 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCNCc1ccsc1 ZINC001130713394 787462237 /nfs/dbraw/zinc/46/22/37/787462237.db2.gz MNRCRTQKZJEPQJ-HNNXBMFYSA-N 1 3 309.479 2.074 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCNCc1ccsc1 ZINC001130713394 787462241 /nfs/dbraw/zinc/46/22/41/787462241.db2.gz MNRCRTQKZJEPQJ-HNNXBMFYSA-N 1 3 309.479 2.074 20 0 DEADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001096605534 787755759 /nfs/dbraw/zinc/75/57/59/787755759.db2.gz SIOLVULXZNYQHV-NJAFHUGGSA-N 1 3 315.461 2.492 20 0 DEADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001096605534 787755761 /nfs/dbraw/zinc/75/57/61/787755761.db2.gz SIOLVULXZNYQHV-NJAFHUGGSA-N 1 3 315.461 2.492 20 0 DEADHO C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)CN1Cc1ccccc1 ZINC001132272937 788004932 /nfs/dbraw/zinc/00/49/32/788004932.db2.gz CENVHJJURGAPHV-WBVHZDCISA-N 1 3 303.450 2.107 20 0 DEADHO Cc1cccc(CN2C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]2C)c1 ZINC001132274448 788005442 /nfs/dbraw/zinc/00/54/42/788005442.db2.gz UHVQCQVYMCRUIS-SJLPKXTDSA-N 1 3 317.477 2.416 20 0 DEADHO CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCCN1CCC3)C2 ZINC001097430042 788101238 /nfs/dbraw/zinc/10/12/38/788101238.db2.gz FIAUZGLDBLIXAV-HZMVEIRTSA-N 1 3 319.493 2.382 20 0 DEADHO CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCCN1CCC3)C2 ZINC001097430042 788101241 /nfs/dbraw/zinc/10/12/41/788101241.db2.gz FIAUZGLDBLIXAV-HZMVEIRTSA-N 1 3 319.493 2.382 20 0 DEADHO CC(C)CCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C ZINC001133135121 788291943 /nfs/dbraw/zinc/29/19/43/788291943.db2.gz LWRYZHNSKUELRQ-CVEARBPZSA-N 1 3 320.481 2.463 20 0 DEADHO CC(C)[C@H](C(=O)NCCN[C@@H](C)c1ccccc1F)[NH+](C)C ZINC001133434024 788429187 /nfs/dbraw/zinc/42/91/87/788429187.db2.gz HNMSGAURKKBRNI-XJKSGUPXSA-N 1 3 309.429 2.179 20 0 DEADHO CC[C@H]([NH2+]CCNC(=O)CN1CCC[C@@H]1C)c1ccccc1 ZINC001133823639 788620082 /nfs/dbraw/zinc/62/00/82/788620082.db2.gz KZEMLKLWRILFOT-RDJZCZTQSA-N 1 3 303.450 2.328 20 0 DEADHO C[C@@H]([NH2+]CCNC(=O)CN1CCC[C@H]1C)c1ccc(F)cc1 ZINC001133834010 788628989 /nfs/dbraw/zinc/62/89/89/788628989.db2.gz LNFBJQAXZVIMKS-ZIAGYGMSSA-N 1 3 307.413 2.077 20 0 DEADHO Cc1cccc([C@H](C)[NH2+]CCNC(=O)CN2CCC[C@H]2C)c1 ZINC001133824098 788629975 /nfs/dbraw/zinc/62/99/75/788629975.db2.gz XTFFDXVOGJNHFU-CVEARBPZSA-N 1 3 303.450 2.246 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[NH2+]CC/C=C/c2ccccc2)C1 ZINC001133845867 788638690 /nfs/dbraw/zinc/63/86/90/788638690.db2.gz OYWDHTDIGGWMBV-MPNRVQBSSA-N 1 3 315.461 2.138 20 0 DEADHO Cc1cc(C[NH2+]CCNC(=O)CN2CCC(C)(C)C2)c(C)s1 ZINC001133896330 788662229 /nfs/dbraw/zinc/66/22/29/788662229.db2.gz IURFAJABADFRHJ-UHFFFAOYSA-N 1 3 323.506 2.303 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+]Cc1cc2ccccc2s1)N(C)C ZINC001133962117 788693174 /nfs/dbraw/zinc/69/31/74/788693174.db2.gz DGVJJASZZWGTBE-HNNXBMFYSA-N 1 3 319.474 2.447 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+][C@@H]1CCc2ccc(Cl)cc21)N(C)C ZINC001133963185 788693426 /nfs/dbraw/zinc/69/34/26/788693426.db2.gz RBOREBXVAHMHGI-CVEARBPZSA-N 1 3 323.868 2.373 20 0 DEADHO C[C@H](C[C@@H](C)[NH2+]Cc1cncs1)NC(=O)CN(C)C1CCC1 ZINC001134613054 788998080 /nfs/dbraw/zinc/99/80/80/788998080.db2.gz RRTMPSOSFBUTNW-CHWSQXEVSA-N 1 3 324.494 2.000 20 0 DEADHO C[C@@H](C[C@H](C)[NH2+]CCC(F)(F)F)NC(=O)CN(C)C1CCC1 ZINC001134611920 788998234 /nfs/dbraw/zinc/99/82/34/788998234.db2.gz DRSHWQBHAWVXNH-RYUDHWBXSA-N 1 3 323.403 2.296 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CCOC(C)C ZINC001134774036 789075390 /nfs/dbraw/zinc/07/53/90/789075390.db2.gz UJWBJWQCPOLNOO-LSDHHAIUSA-N 1 3 315.502 2.015 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC001135511366 789380342 /nfs/dbraw/zinc/38/03/42/789380342.db2.gz OTUYJRAQCBTROH-MRXNPFEDSA-N 1 3 323.868 2.375 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cncc(C)c1 ZINC001135743376 789475687 /nfs/dbraw/zinc/47/56/87/789475687.db2.gz JJMFBDFVWYQGOE-HOTGVXAUSA-N 1 3 320.481 2.105 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCCCF ZINC001136032242 789601167 /nfs/dbraw/zinc/60/11/67/789601167.db2.gz YANNPRKVPIAHIB-CHWSQXEVSA-N 1 3 312.433 2.273 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC2(C1)CC[N@H+](CC1CCCC1)C2)C1CC1 ZINC001072815329 790258355 /nfs/dbraw/zinc/25/83/55/790258355.db2.gz VCMAAHMDNVGDPR-QGZVFWFLSA-N 1 3 319.493 2.051 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CC1CCCC1)C2)C1CC1 ZINC001072815329 790258364 /nfs/dbraw/zinc/25/83/64/790258364.db2.gz VCMAAHMDNVGDPR-QGZVFWFLSA-N 1 3 319.493 2.051 20 0 DEADHO CCCCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146600829 791321463 /nfs/dbraw/zinc/32/14/63/791321463.db2.gz IORXXTJEWAPPIU-CVEARBPZSA-N 1 3 315.502 2.016 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cccc(C)c2)[C@@H]1C)N(C)C ZINC001074885666 791368961 /nfs/dbraw/zinc/36/89/61/791368961.db2.gz QSNFDGGCUOOXTO-SZMVWBNQSA-N 1 3 317.477 2.414 20 0 DEADHO CCC[NH+](CCC)CCCC(=O)NCCNC[C@@H](F)CC ZINC001147449278 791548172 /nfs/dbraw/zinc/54/81/72/791548172.db2.gz MFCDHCWZMJNHHF-HNNXBMFYSA-N 1 3 303.466 2.343 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](C(C)C)C2 ZINC001148458075 791750275 /nfs/dbraw/zinc/75/02/75/791750275.db2.gz HSLFIJTVXWCTDY-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC2(C1)CC[N@H+](C(C)C)C2 ZINC001148458075 791750278 /nfs/dbraw/zinc/75/02/78/791750278.db2.gz HSLFIJTVXWCTDY-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)N1CCN(c2ccc(NC[C@@H]3CCCC[NH2+]3)cn2)CC1 ZINC001171334761 791774970 /nfs/dbraw/zinc/77/49/70/791774970.db2.gz PNXZKPASVGGJEI-INIZCTEOSA-N 1 3 317.481 2.166 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](CCC1CCCC1)C2 ZINC001148651587 791781084 /nfs/dbraw/zinc/78/10/84/791781084.db2.gz JZGXOODIELOFSK-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](CCC1CCCC1)C2 ZINC001148651587 791781088 /nfs/dbraw/zinc/78/10/88/791781088.db2.gz JZGXOODIELOFSK-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CC(C)[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC001086907947 791846348 /nfs/dbraw/zinc/84/63/48/791846348.db2.gz JBXBCVKQWVPBIA-HZPDHXFCSA-N 1 3 307.482 2.192 20 0 DEADHO C[C@H]1CC2(CN1C(=O)Cc1c[nH]cn1)CC[NH+](CCCF)CC2 ZINC001086946343 791858625 /nfs/dbraw/zinc/85/86/25/791858625.db2.gz WLNUEVUNDUBHCU-AWEZNQCLSA-N 1 3 322.428 2.015 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C ZINC001092658404 792103536 /nfs/dbraw/zinc/10/35/36/792103536.db2.gz SUDNODBMCPMYIT-NXHRZFHOSA-N 1 3 321.509 2.345 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C ZINC001092658404 792103544 /nfs/dbraw/zinc/10/35/44/792103544.db2.gz SUDNODBMCPMYIT-NXHRZFHOSA-N 1 3 321.509 2.345 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC)C[C@H]1C ZINC001093120090 792242202 /nfs/dbraw/zinc/24/22/02/792242202.db2.gz BAKVYIFAQHQZDV-BRWVUGGUSA-N 1 3 309.498 2.345 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC)C[C@H]1C ZINC001093120090 792242213 /nfs/dbraw/zinc/24/22/13/792242213.db2.gz BAKVYIFAQHQZDV-BRWVUGGUSA-N 1 3 309.498 2.345 20 0 DEADHO CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001093379856 792352534 /nfs/dbraw/zinc/35/25/34/792352534.db2.gz KSLBDKDORFSMHA-KRWDZBQOSA-N 1 3 316.449 2.065 20 0 DEADHO CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001093379856 792352547 /nfs/dbraw/zinc/35/25/47/792352547.db2.gz KSLBDKDORFSMHA-KRWDZBQOSA-N 1 3 316.449 2.065 20 0 DEADHO CN(C)C1(C(=O)NCC2CC([NH2+]CC3CCCC3)C2)CCC1 ZINC001100405661 792631487 /nfs/dbraw/zinc/63/14/87/792631487.db2.gz HQPRPDFIROLDIH-UHFFFAOYSA-N 1 3 307.482 2.145 20 0 DEADHO CCCCCC[NH2+]C1CC(CNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001100408239 792633832 /nfs/dbraw/zinc/63/38/32/792633832.db2.gz ZOQDUBHRAUZQII-BDVYOWHSSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@H](C(=O)NCC1CC([NH2+]Cc2ccccc2C)C1)N(C)C ZINC001100442407 792654561 /nfs/dbraw/zinc/65/45/61/792654561.db2.gz GBMVXMSNWRCSAD-VMWRSERWSA-N 1 3 317.477 2.320 20 0 DEADHO C[C@H](F)CC[NH2+]C1CC(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001100562104 792722244 /nfs/dbraw/zinc/72/22/44/792722244.db2.gz AIGZKPZPLLXAND-NFOMZHRRSA-N 1 3 313.461 2.093 20 0 DEADHO CCC(CC)C[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001100647112 792766632 /nfs/dbraw/zinc/76/66/32/792766632.db2.gz CXZQFOLIOFWPQH-OFLPRAFFSA-N 1 3 311.514 2.493 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]Cc2ccccc2)C1 ZINC001100676642 792782584 /nfs/dbraw/zinc/78/25/84/792782584.db2.gz RCHDCMSGISWAMQ-ZLPCBKJTSA-N 1 3 315.461 2.155 20 0 DEADHO CCN(CC)CC(=O)NCC1CC([NH2+]CC=C(Cl)Cl)C1 ZINC001100770533 792834648 /nfs/dbraw/zinc/83/46/48/792834648.db2.gz HVBUULGFHLPNBP-UHFFFAOYSA-N 1 3 322.280 2.132 20 0 DEADHO CCCN(C)CC(=O)NCC1CC([NH2+]Cc2ccc(C)cc2)C1 ZINC001100900083 792908471 /nfs/dbraw/zinc/90/84/71/792908471.db2.gz PCCJVUPOOSXCFP-UHFFFAOYSA-N 1 3 317.477 2.321 20 0 DEADHO CCC(CO)(CO)N[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967783 793260729 /nfs/dbraw/zinc/26/07/29/793260729.db2.gz BCPVXARUMNKGRD-QGZVFWFLSA-N 1 3 320.477 2.153 20 0 DEADHO CCC(CO)(CO)N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967783 793260734 /nfs/dbraw/zinc/26/07/34/793260734.db2.gz BCPVXARUMNKGRD-QGZVFWFLSA-N 1 3 320.477 2.153 20 0 DEADHO CC1(C)C[C@@H]([N@@H+]2CCNC(=O)CC2)CCN1Cc1ccccc1 ZINC001171977303 793286873 /nfs/dbraw/zinc/28/68/73/793286873.db2.gz PXKNAGUWZZEDGB-KRWDZBQOSA-N 1 3 315.461 2.252 20 0 DEADHO CC1(C)C[C@@H]([N@H+]2CCNC(=O)CC2)CCN1Cc1ccccc1 ZINC001171977303 793286885 /nfs/dbraw/zinc/28/68/85/793286885.db2.gz PXKNAGUWZZEDGB-KRWDZBQOSA-N 1 3 315.461 2.252 20 0 DEADHO [NH3+]C1(CC2CCC2)CCN([C@@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172161366 793354849 /nfs/dbraw/zinc/35/48/49/793354849.db2.gz VEWFHUGTTYQVBT-CVEARBPZSA-N 1 3 305.466 2.123 20 0 DEADHO COCCC[NH+]1CCC(NCCOCc2ccccc2)CC1 ZINC001172244156 793385299 /nfs/dbraw/zinc/38/52/99/793385299.db2.gz LRXNGFBFYDHUCV-UHFFFAOYSA-N 1 3 306.450 2.294 20 0 DEADHO COCCC[NH+]1CCC(NCC2(c3ncccc3F)CC2)CC1 ZINC001172248425 793387301 /nfs/dbraw/zinc/38/73/01/793387301.db2.gz GYZHSLRDFHWPKO-UHFFFAOYSA-N 1 3 321.440 2.343 20 0 DEADHO COCCC[NH+]1CCC(N2CC[C@@H](c3ccccn3)C2)CC1 ZINC001172255448 793392091 /nfs/dbraw/zinc/39/20/91/793392091.db2.gz RMGQGCABSWMOPZ-MRXNPFEDSA-N 1 3 303.450 2.372 20 0 DEADHO CC[C@H](CC(C)C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001172396265 793423900 /nfs/dbraw/zinc/42/39/00/793423900.db2.gz BVILECSZVPKWSC-BDXSIMOUSA-N 1 3 319.497 2.497 20 0 DEADHO CC[C@H](CC(C)C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001172396265 793423903 /nfs/dbraw/zinc/42/39/03/793423903.db2.gz BVILECSZVPKWSC-BDXSIMOUSA-N 1 3 319.497 2.497 20 0 DEADHO CC(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(N(C)C)CCC1)C2 ZINC001094936294 793468427 /nfs/dbraw/zinc/46/84/27/793468427.db2.gz VYNDKUTWWPZRRN-JYJNAYRXSA-N 1 3 307.482 2.096 20 0 DEADHO CCC(CC)C[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048586 793487374 /nfs/dbraw/zinc/48/73/74/793487374.db2.gz HKOBUEUGEHFLFV-ZTFGCOKTSA-N 1 3 323.525 2.447 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048586 793487378 /nfs/dbraw/zinc/48/73/78/793487378.db2.gz HKOBUEUGEHFLFV-ZTFGCOKTSA-N 1 3 323.525 2.447 20 0 DEADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C ZINC001102101184 793504883 /nfs/dbraw/zinc/50/48/83/793504883.db2.gz QXFMNPRXBGHBTC-GDBMZVCRSA-N 1 3 309.498 2.201 20 0 DEADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C ZINC001102101184 793504888 /nfs/dbraw/zinc/50/48/88/793504888.db2.gz QXFMNPRXBGHBTC-GDBMZVCRSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H]1C[N@H+](CCCF)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102375547 793594246 /nfs/dbraw/zinc/59/42/46/793594246.db2.gz PINGOTOYUDSSQD-HUUCEWRRSA-N 1 3 315.477 2.008 20 0 DEADHO C[C@@H]1C[N@@H+](CCCF)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102375547 793594251 /nfs/dbraw/zinc/59/42/51/793594251.db2.gz PINGOTOYUDSSQD-HUUCEWRRSA-N 1 3 315.477 2.008 20 0 DEADHO c1nnn([C@@H]2CCC[C@H]([NH2+]C3CCN(C4CCCC4)CC3)C2)n1 ZINC001173750418 793836382 /nfs/dbraw/zinc/83/63/82/793836382.db2.gz IHCUOOICUNKKBM-DOTOQJQBSA-N 1 3 318.469 2.153 20 0 DEADHO C[C@@H]1C[N@H+](CCC2CC2)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103083660 793933154 /nfs/dbraw/zinc/93/31/54/793933154.db2.gz CFTDKNAKUSHOEQ-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103083660 793933163 /nfs/dbraw/zinc/93/31/63/793933163.db2.gz CFTDKNAKUSHOEQ-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001103088862 793935918 /nfs/dbraw/zinc/93/59/18/793935918.db2.gz YXCJORHZDVQLBM-OIISXLGYSA-N 1 3 309.498 2.201 20 0 DEADHO CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001103088862 793935923 /nfs/dbraw/zinc/93/59/23/793935923.db2.gz YXCJORHZDVQLBM-OIISXLGYSA-N 1 3 309.498 2.201 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]Cc1c(C)cccc1C ZINC001174681920 794038755 /nfs/dbraw/zinc/03/87/55/794038755.db2.gz CLCUZWOAPBKPOC-UHFFFAOYSA-N 1 3 314.433 2.174 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]Cc1cc(C)cc(C)c1 ZINC001174681911 794039804 /nfs/dbraw/zinc/03/98/04/794039804.db2.gz CHUFEYJJSJNKKX-UHFFFAOYSA-N 1 3 314.433 2.174 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+][C@H](C)c1cccc(C)c1 ZINC001174692454 794040475 /nfs/dbraw/zinc/04/04/75/794040475.db2.gz SLZWJXVZVYKPCZ-CQSZACIVSA-N 1 3 314.433 2.426 20 0 DEADHO C[C@@H](CCCC[NH2+]CCF)NC(=O)CN(C)CC(C)(C)C ZINC001175296411 794169114 /nfs/dbraw/zinc/16/91/14/794169114.db2.gz NYGQBZHLZKMWGC-AWEZNQCLSA-N 1 3 303.466 2.198 20 0 DEADHO CC[C@@H](F)C[NH2+]CCCC[C@H](C)NC(=O)CN(C)C(C)C ZINC001176753329 794497416 /nfs/dbraw/zinc/49/74/16/794497416.db2.gz GCIRFPSLCBWYLH-LSDHHAIUSA-N 1 3 303.466 2.339 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[NH2+]Cc1ccccc1Cl ZINC001176971541 794543483 /nfs/dbraw/zinc/54/34/83/794543483.db2.gz CCYIJMMGFDMXJI-UHFFFAOYSA-N 1 3 311.857 2.276 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[NH2+]CC[C@@H]1CCCC1(F)F ZINC001176975683 794545539 /nfs/dbraw/zinc/54/55/39/794545539.db2.gz SYRFUNLGLSMMAS-AWEZNQCLSA-N 1 3 319.440 2.248 20 0 DEADHO O=C(Cc1c[nH]cn1)N(CCC[NH2+]CC1CC1)CC1CCCC1 ZINC001177431266 794674869 /nfs/dbraw/zinc/67/48/69/794674869.db2.gz QMRWKSPXDFWVGR-UHFFFAOYSA-N 1 3 318.465 2.361 20 0 DEADHO C[C@H]1[C@@H]([NH2+]C/C=C/Cl)CCN1C(=O)CN1CCC(C)CC1 ZINC001179779850 795169880 /nfs/dbraw/zinc/16/98/80/795169880.db2.gz ZDTKPCMGZFZELN-XUGXEBBFSA-N 1 3 313.873 2.050 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCc2ccccc2)[C@@H]1C ZINC001179983387 795214576 /nfs/dbraw/zinc/21/45/76/795214576.db2.gz ZJUYKBLFVRJNCE-WMZOPIPTSA-N 1 3 317.477 2.150 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CCCC2CCC2)CCN1C(=O)CN1CCCC1 ZINC001180132216 795239046 /nfs/dbraw/zinc/23/90/46/795239046.db2.gz YJNRJAOWWVDMMB-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001180136258 795240115 /nfs/dbraw/zinc/24/01/15/795240115.db2.gz URJFGWGIHMIBJE-CSLAMCDYSA-N 1 3 307.482 2.408 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CC)C1 ZINC001120402970 795453726 /nfs/dbraw/zinc/45/37/26/795453726.db2.gz UAPGQZDPXACHND-HZPDHXFCSA-N 1 3 309.498 2.440 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H]([C@H]2CCC[N@H+]2CC)C1 ZINC001120402970 795453729 /nfs/dbraw/zinc/45/37/29/795453729.db2.gz UAPGQZDPXACHND-HZPDHXFCSA-N 1 3 309.498 2.440 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CCF)C1 ZINC001120441022 795460711 /nfs/dbraw/zinc/46/07/11/795460711.db2.gz WRWFWQOJLHXIMZ-JKSUJKDBSA-N 1 3 313.461 2.001 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CCF)C1 ZINC001120441022 795460714 /nfs/dbraw/zinc/46/07/14/795460714.db2.gz WRWFWQOJLHXIMZ-JKSUJKDBSA-N 1 3 313.461 2.001 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CC2CC2)C1 ZINC001120468173 795466697 /nfs/dbraw/zinc/46/66/97/795466697.db2.gz DHMYJGHLDUSTFM-ROUUACIJSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CC2CC2)C1 ZINC001120468173 795466701 /nfs/dbraw/zinc/46/67/01/795466701.db2.gz DHMYJGHLDUSTFM-ROUUACIJSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@H](CCNCCC(=O)Nc1ccc(N(C)C)cc1)[NH+](C)C ZINC001120581872 795490888 /nfs/dbraw/zinc/49/08/88/795490888.db2.gz NHEAJHRFESMURI-CQSZACIVSA-N 1 3 306.454 2.011 20 0 DEADHO C[C@H](CC[NH2+]CCC(=O)Nc1ccc(N(C)C)cc1)N(C)C ZINC001120581872 795490892 /nfs/dbraw/zinc/49/08/92/795490892.db2.gz NHEAJHRFESMURI-CQSZACIVSA-N 1 3 306.454 2.011 20 0 DEADHO CCCC[NH2+]C1CC2(CC(NC(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001121772478 795685467 /nfs/dbraw/zinc/68/54/67/795685467.db2.gz BDWVOVOHLQGJJT-XOGYLQAWSA-N 1 3 307.482 2.145 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC[C@H](C)F)C1 ZINC001182932674 795786112 /nfs/dbraw/zinc/78/61/12/795786112.db2.gz CYIVNPHLKMOGAM-HLLBOEOZSA-N 1 3 315.477 2.151 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C(C)C)C1 ZINC001183517147 795879748 /nfs/dbraw/zinc/87/97/48/795879748.db2.gz REMOJXAJCDWOBL-JFIYKMOQSA-N 1 3 309.498 2.343 20 0 DEADHO C[NH+](C)C1(CC(=O)N2CC[C@@H](NC/C=C/Cl)C2)CCCC1 ZINC001184628589 796095175 /nfs/dbraw/zinc/09/51/75/796095175.db2.gz MEPPBVDIUPYRMJ-VZUFXWRPSA-N 1 3 313.873 2.194 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H](C[NH2+]CC2CC2)[C@@H](C)C1 ZINC001184714165 796109411 /nfs/dbraw/zinc/10/94/11/796109411.db2.gz WLBLYKKTROVCTD-HOCLYGCPSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)CCC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001185206455 796212414 /nfs/dbraw/zinc/21/24/14/796212414.db2.gz UIQKKCMXPOXKFE-HOTGVXAUSA-N 1 3 320.481 2.463 20 0 DEADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C[NH2+]CCCCCF ZINC001185216183 796215323 /nfs/dbraw/zinc/21/53/23/796215323.db2.gz PTBCXNMLPMQHQD-LSDHHAIUSA-N 1 3 324.444 2.166 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C/C=C/c2ccccc2)C1)N(C)C ZINC001185706876 796310879 /nfs/dbraw/zinc/31/08/79/796310879.db2.gz SPMKAPXCIRPKGY-RWTNSZMUSA-N 1 3 315.461 2.231 20 0 DEADHO CCCCCC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001186555379 796415772 /nfs/dbraw/zinc/41/57/72/796415772.db2.gz OOYPDRJNBAPIIK-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO C[NH+]1CCC2(CCN(Cc3c[nH]c4ncnc(Cl)c34)C2)CC1 ZINC001139938474 796448225 /nfs/dbraw/zinc/44/82/25/796448225.db2.gz KRFNNRCFLPUIEQ-UHFFFAOYSA-N 1 3 319.840 2.481 20 0 DEADHO C[NH+](C)CCCCC(=O)N1CC[C@@H](NCc2ccccc2F)C1 ZINC001187239865 796504647 /nfs/dbraw/zinc/50/46/47/796504647.db2.gz FUOSOXINYVNIRT-MRXNPFEDSA-N 1 3 321.440 2.248 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001187322665 796517563 /nfs/dbraw/zinc/51/75/63/796517563.db2.gz QZKDTTRMCBSSIH-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCCc2ccsc2)C1 ZINC001187322644 796517708 /nfs/dbraw/zinc/51/77/08/796517708.db2.gz QEMMIQIEALJCFM-MRXNPFEDSA-N 1 3 323.506 2.213 20 0 DEADHO CCOC(=O)c1ccc(CN2CCC3(C2)CC[NH+](C)CC3)[nH]1 ZINC001140688939 796556964 /nfs/dbraw/zinc/55/69/64/796556964.db2.gz IPFJYINMJXKLJF-UHFFFAOYSA-N 1 3 305.422 2.109 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]CC(C)C)C12CCC2 ZINC001203100890 796647063 /nfs/dbraw/zinc/64/70/63/796647063.db2.gz BGYWGXOMINIHEG-CABCVRRESA-N 1 3 309.498 2.390 20 0 DEADHO C[NH+]1CC2(C1)CCN(Cc1ccc3c(c1)OCCCO3)CC2 ZINC001142271556 796731690 /nfs/dbraw/zinc/73/16/90/796731690.db2.gz OBBRCOXTFUAQKV-UHFFFAOYSA-N 1 3 302.418 2.376 20 0 DEADHO CN1CC2(C1)CC[NH+](Cc1ccc3c(c1)OCCCO3)CC2 ZINC001142271556 796731694 /nfs/dbraw/zinc/73/16/94/796731694.db2.gz OBBRCOXTFUAQKV-UHFFFAOYSA-N 1 3 302.418 2.376 20 0 DEADHO CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190675056 797056079 /nfs/dbraw/zinc/05/60/79/797056079.db2.gz GUMWGBFSFWRBJW-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190675056 797056081 /nfs/dbraw/zinc/05/60/81/797056081.db2.gz GUMWGBFSFWRBJW-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC(C[NH2+]C/C=C\Cl)CC1 ZINC001205548553 797122714 /nfs/dbraw/zinc/12/27/14/797122714.db2.gz FKKINJOXQHDXGF-TWGQIWQCSA-N 1 3 315.889 2.297 20 0 DEADHO C[C@@H](NCCNC(=O)CC[NH+]1CCCCC1)c1cccc(F)c1 ZINC001152347443 797174318 /nfs/dbraw/zinc/17/43/18/797174318.db2.gz GHXGWMWGBBJNRQ-OAHLLOKOSA-N 1 3 321.440 2.469 20 0 DEADHO CC(C)c1ccccc1C[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152431757 797186697 /nfs/dbraw/zinc/18/66/97/797186697.db2.gz DJFSIMDQTPCHQJ-UHFFFAOYSA-N 1 3 305.466 2.356 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001152479718 797194261 /nfs/dbraw/zinc/19/42/61/797194261.db2.gz JIKANJXYYOMAFJ-YOEHRIQHSA-N 1 3 321.440 2.467 20 0 DEADHO CC(C)=CC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001192377312 797376861 /nfs/dbraw/zinc/37/68/61/797376861.db2.gz JVRXYWLULQDUJD-INIZCTEOSA-N 1 3 307.482 2.217 20 0 DEADHO CC(C)=CC[N@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001192377312 797376868 /nfs/dbraw/zinc/37/68/68/797376868.db2.gz JVRXYWLULQDUJD-INIZCTEOSA-N 1 3 307.482 2.217 20 0 DEADHO CC[N@H+](CC[C@H](C)F)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001153930706 797425099 /nfs/dbraw/zinc/42/50/99/797425099.db2.gz XRILXTQFSNBHFC-ZNMIVQPWSA-N 1 3 303.466 2.147 20 0 DEADHO CC[N@@H+](CC[C@H](C)F)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001153930706 797425100 /nfs/dbraw/zinc/42/51/00/797425100.db2.gz XRILXTQFSNBHFC-ZNMIVQPWSA-N 1 3 303.466 2.147 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)CC2CCCCC2)C1 ZINC001192946720 797473429 /nfs/dbraw/zinc/47/34/29/797473429.db2.gz FEVYQHMDJFMTFZ-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001192946720 797473432 /nfs/dbraw/zinc/47/34/32/797473432.db2.gz FEVYQHMDJFMTFZ-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCN(Cc1csc(C)c1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155005214 797659334 /nfs/dbraw/zinc/65/93/34/797659334.db2.gz JCHQLJUGNSYERS-CYBMUJFWSA-N 1 3 311.495 2.335 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCC(C)C)C1 ZINC001194266676 797702716 /nfs/dbraw/zinc/70/27/16/797702716.db2.gz XZNZGJJFGJOTMR-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCC(C)C)C1 ZINC001194266676 797702719 /nfs/dbraw/zinc/70/27/19/797702719.db2.gz XZNZGJJFGJOTMR-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO C[NH+](C)CCCC(=O)N1CCCN(CC2=CCCCC2)CC1 ZINC001196970574 798127514 /nfs/dbraw/zinc/12/75/14/798127514.db2.gz MEWSBIBIJSRFBH-UHFFFAOYSA-N 1 3 307.482 2.363 20 0 DEADHO C[NH+](C)CC1(C(=O)N2CCCN(CC3=CCCCC3)CC2)CC1 ZINC001196943282 798129423 /nfs/dbraw/zinc/12/94/23/798129423.db2.gz MQPZOCMBVWCATH-UHFFFAOYSA-N 1 3 319.493 2.363 20 0 DEADHO N=C(NCCCC[NH3+])Nc1nnc(Cl)c2ccc(F)cc21 ZINC001157102071 798143681 /nfs/dbraw/zinc/14/36/81/798143681.db2.gz RTDZHVHEKOTPRE-UHFFFAOYSA-N 1 3 310.764 2.097 20 0 DEADHO CCC[NH+]1C[C@@H]2CN(c3cc(Cl)nc4c3CCNC4)C[C@H]2C1 ZINC001157690412 798259316 /nfs/dbraw/zinc/25/93/16/798259316.db2.gz DWUDSKFLYNMRRC-CHWSQXEVSA-N 1 3 320.868 2.159 20 0 DEADHO CC(C)=CCN1CCCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001198230133 798299876 /nfs/dbraw/zinc/29/98/76/798299876.db2.gz WKACRBBUDXMFRG-UHFFFAOYSA-N 1 3 307.482 2.363 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CCC([NH2+]CCCF)CC1 ZINC001203897135 798303769 /nfs/dbraw/zinc/30/37/69/798303769.db2.gz ZRXJHRQGLBDIJT-UHFFFAOYSA-N 1 3 321.440 2.302 20 0 DEADHO Cc1nc2c3ccccc3oc2c(NC(=[NH2+])N2CCN(C)CC2)n1 ZINC001157915850 798304646 /nfs/dbraw/zinc/30/46/46/798304646.db2.gz XNLGUSHVMVMASI-UHFFFAOYSA-N 1 3 324.388 2.278 20 0 DEADHO Cc1cc(C)cc(C[NH2+]CCCNC(=O)[C@H](C2CC2)N(C)C)c1 ZINC001159916260 798626181 /nfs/dbraw/zinc/62/61/81/798626181.db2.gz QEEFAEAQHYUMMP-SFHVURJKSA-N 1 3 317.477 2.240 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001160420626 798686845 /nfs/dbraw/zinc/68/68/45/798686845.db2.gz KCUVKRWNUCWNGL-KRWDZBQOSA-N 1 3 305.466 2.177 20 0 DEADHO CC[C@H](C(=O)N1CCC([NH2+]CCCCCF)CC1)N(C)C ZINC001201239699 798723751 /nfs/dbraw/zinc/72/37/51/798723751.db2.gz LRNWJPOBFKKDHL-OAHLLOKOSA-N 1 3 301.450 2.047 20 0 DEADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](CC3CCCCC3)CC[C@@H]21 ZINC001201393806 798746882 /nfs/dbraw/zinc/74/68/82/798746882.db2.gz NVFFYROMYBRFGJ-SQNIBIBYSA-N 1 3 317.481 2.253 20 0 DEADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](CC3CCCCC3)CC[C@@H]21 ZINC001201393806 798746886 /nfs/dbraw/zinc/74/68/86/798746886.db2.gz NVFFYROMYBRFGJ-SQNIBIBYSA-N 1 3 317.481 2.253 20 0 DEADHO CC(C)N(C(=O)[C@H]1CCC[C@H](c2ccccc2)N1)[C@H]1CC[NH2+]C1 ZINC001161352575 798834498 /nfs/dbraw/zinc/83/44/98/798834498.db2.gz CRWAPNRWBPZMPH-RCCFBDPRSA-N 1 3 315.461 2.469 20 0 DEADHO CCN(CC)CC(=O)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161424492 798852445 /nfs/dbraw/zinc/85/24/45/798852445.db2.gz JUJWMGIITWSPON-UHFFFAOYSA-N 1 3 303.450 2.109 20 0 DEADHO CN1CCC(N(C(=O)C[C@@H]2CCC[NH2+]C2)C2CCCC2)CC1 ZINC001161453795 798862480 /nfs/dbraw/zinc/86/24/80/798862480.db2.gz MZJDTPJPPCTVFS-HNNXBMFYSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)[C@H]1CCc2ccccc21 ZINC001161543765 798881152 /nfs/dbraw/zinc/88/11/52/798881152.db2.gz SEZYABLONVMBSB-SJORKVTESA-N 1 3 313.445 2.007 20 0 DEADHO CN(C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)[C@H]1CCc2ccccc21 ZINC001161543765 798881158 /nfs/dbraw/zinc/88/11/58/798881158.db2.gz SEZYABLONVMBSB-SJORKVTESA-N 1 3 313.445 2.007 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(C)C ZINC001110617046 798922742 /nfs/dbraw/zinc/92/27/42/798922742.db2.gz ZVUZCJSZTKZZLG-FPCVCCKLSA-N 1 3 313.461 2.044 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(C)C ZINC001110617046 798922745 /nfs/dbraw/zinc/92/27/45/798922745.db2.gz ZVUZCJSZTKZZLG-FPCVCCKLSA-N 1 3 313.461 2.044 20 0 DEADHO NCc1cn(-c2ncc(C(F)(F)F)cc2C2=CC[NH2+]CC2)cn1 ZINC001162302059 799055946 /nfs/dbraw/zinc/05/59/46/799055946.db2.gz JRLQDDJALNCVSV-UHFFFAOYSA-N 1 3 323.322 2.122 20 0 DEADHO CC(C)N1CCN(c2ccc(N[C@H]3CCC[C@@H]([NH3+])C3)cn2)CC1 ZINC001162397363 799077534 /nfs/dbraw/zinc/07/75/34/799077534.db2.gz TZSOUFCHNIDILX-CVEARBPZSA-N 1 3 317.481 2.294 20 0 DEADHO C[C@H]1C[NH2+]CCC[C@@H]1CNc1ccc(N2CCN(C)CC2)cc1 ZINC001162465474 799093895 /nfs/dbraw/zinc/09/38/95/799093895.db2.gz HHEXQOKHHWJWQR-DLBZAZTESA-N 1 3 316.493 2.486 20 0 DEADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+](CC3=CCCCC3)C[C@H]21)C1CCC1 ZINC001114412275 799093911 /nfs/dbraw/zinc/09/39/11/799093911.db2.gz UVMZDSZFMSQRRM-DZFIZOCASA-N 1 3 317.477 2.018 20 0 DEADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3=CCCCC3)C[C@H]21)C1CCC1 ZINC001114412275 799093919 /nfs/dbraw/zinc/09/39/19/799093919.db2.gz UVMZDSZFMSQRRM-DZFIZOCASA-N 1 3 317.477 2.018 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21)N(C)C ZINC001114443049 799113767 /nfs/dbraw/zinc/11/37/67/799113767.db2.gz URAMLPGBVGEAJK-HZMVEIRTSA-N 1 3 323.525 2.445 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21)N(C)C ZINC001114443049 799113768 /nfs/dbraw/zinc/11/37/68/799113768.db2.gz URAMLPGBVGEAJK-HZMVEIRTSA-N 1 3 323.525 2.445 20 0 DEADHO C[C@@H]1C[C@@H](CNc2cccc3cc([C@H]4CNCCO4)cn32)C[NH2+]1 ZINC001162559726 799117541 /nfs/dbraw/zinc/11/75/41/799117541.db2.gz PYMAIVKPGVXEHJ-CKEIUWERSA-N 1 3 314.433 2.010 20 0 DEADHO CC[C@@H](C(=O)N(CC[NH2+]C(C)C)CCc1ccccc1)N(C)C ZINC001162934993 799203573 /nfs/dbraw/zinc/20/35/73/799203573.db2.gz OEEUJZLSMUMZDH-SFHVURJKSA-N 1 3 319.493 2.396 20 0 DEADHO Fc1ccc(N[C@H]2COCCC23C[NH2+]C3)cc1CN1CCCC1 ZINC001163079907 799238789 /nfs/dbraw/zinc/23/87/89/799238789.db2.gz DAMCRTSZEFQFFI-KRWDZBQOSA-N 1 3 319.424 2.212 20 0 DEADHO CCN(CC)CCNC(=[NH2+])Nc1ccc(SC(C)C)nn1 ZINC001163129804 799254323 /nfs/dbraw/zinc/25/43/23/799254323.db2.gz QANGDEGQZPEKKQ-UHFFFAOYSA-N 1 3 310.471 2.255 20 0 DEADHO CN(C)C1(C(=O)NCCC2(C[NH2+]C/C=C\Cl)CC2)CCC1 ZINC001165465177 799734399 /nfs/dbraw/zinc/73/43/99/799734399.db2.gz VZCYSHRLSFJKPZ-WMZJFQQLSA-N 1 3 313.873 2.099 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)CN2CC[C@@H](C)C2)cc1F ZINC001166677430 799918154 /nfs/dbraw/zinc/91/81/54/799918154.db2.gz JKLGTLHTLAQBLR-CQSZACIVSA-N 1 3 321.440 2.072 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+][C@@H]2CCc3ccccc32)C1 ZINC001166678407 799918171 /nfs/dbraw/zinc/91/81/71/799918171.db2.gz UYXLEFALZIDUIT-CRAIPNDOSA-N 1 3 315.461 2.112 20 0 DEADHO CCCC[NH2+]CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001166686698 799920532 /nfs/dbraw/zinc/92/05/32/799920532.db2.gz DJIOXMUWBXSTCE-MRXNPFEDSA-N 1 3 301.450 2.095 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+][C@H]1CCc2ccc(F)cc21)N(C)C ZINC001166851475 799964444 /nfs/dbraw/zinc/96/44/44/799964444.db2.gz BGDYORUEJXYMGT-IRXDYDNUSA-N 1 3 321.440 2.249 20 0 DEADHO COc1ccc(C[C@@](C)(CO)NCCC[NH+]2CCCCC2)cc1 ZINC000933428736 800091761 /nfs/dbraw/zinc/09/17/61/800091761.db2.gz OYARVVXUVXKHOI-IBGZPJMESA-N 1 3 320.477 2.454 20 0 DEADHO Cc1cnc(Nc2ccc(CN3CC[NH+](C)CC3)cc2)c(N)c1 ZINC001204724185 800250063 /nfs/dbraw/zinc/25/00/63/800250063.db2.gz BKZKFUOMOPQLLT-UHFFFAOYSA-N 1 3 311.433 2.463 20 0 DEADHO Fc1ccc(N2CCN(CC[C@H]3CCC[NH2+]C3)CC2)cc1F ZINC001204877999 800268992 /nfs/dbraw/zinc/26/89/92/800268992.db2.gz SBCSIVUEKNXRAZ-CQSZACIVSA-N 1 3 309.404 2.477 20 0 DEADHO COc1ccc(CN2CCC[C@](O)(C[NH3+])CC2)c(OC(C)C)c1 ZINC001205240683 800327086 /nfs/dbraw/zinc/32/70/86/800327086.db2.gz MVZRGHCNXLWMIN-GOSISDBHSA-N 1 3 322.449 2.158 20 0 DEADHO [NH3+]C[C@]1(F)CCCN(Cc2ccc(OC(F)F)nc2)CC1 ZINC001205581957 800381051 /nfs/dbraw/zinc/38/10/51/800381051.db2.gz VTZBAZQGXCXADO-AWEZNQCLSA-N 1 3 303.328 2.336 20 0 DEADHO [NH3+][C@@H]1CCN(Cc2cccc(-c3cncnc3)c2)CC[C@@H]1F ZINC001206163980 800482342 /nfs/dbraw/zinc/48/23/42/800482342.db2.gz IKPRVVVDLXYLGD-DLBZAZTESA-N 1 3 300.381 2.405 20 0 DEADHO Cc1nccn1-c1ccc(CN2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206166681 800482767 /nfs/dbraw/zinc/48/27/67/800482767.db2.gz UGFMLBQDIWATEM-SJORKVTESA-N 1 3 302.397 2.442 20 0 DEADHO COc1nc(OC)c(CN2CCC[C@](C)(C[NH3+])CC2)cc1C ZINC001206335653 800511172 /nfs/dbraw/zinc/51/11/72/800511172.db2.gz HONZFLLYQTWXMS-KRWDZBQOSA-N 1 3 307.438 2.358 20 0 DEADHO CCCN(C)CC(=O)N1CCC(C[NH2+]Cc2ccccc2)CC1 ZINC001206890177 800618822 /nfs/dbraw/zinc/61/88/22/800618822.db2.gz DFGWDHYJIAAYKB-UHFFFAOYSA-N 1 3 317.477 2.357 20 0 DEADHO O=C(CN1CCCC1)N1CCC(C[NH2+]CCC2CCCC2)CC1 ZINC001206929191 800631365 /nfs/dbraw/zinc/63/13/65/800631365.db2.gz YBUWUNAGISFUQN-UHFFFAOYSA-N 1 3 321.509 2.491 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[NH2+]CC(C)C)CC1 ZINC001206952323 800640339 /nfs/dbraw/zinc/64/03/39/800640339.db2.gz KJUSGXKAOHTSRT-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO CN(C)CC(C)(C)C[N@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001207279053 800721048 /nfs/dbraw/zinc/72/10/48/800721048.db2.gz AOVLRLGRKPHKRY-CALCHBBNSA-N 1 3 316.493 2.033 20 0 DEADHO CN(C)CC(C)(C)C[N@@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001207279053 800721050 /nfs/dbraw/zinc/72/10/50/800721050.db2.gz AOVLRLGRKPHKRY-CALCHBBNSA-N 1 3 316.493 2.033 20 0 DEADHO C[NH+](C)CC(C)(C)CN1CC2(C1)CCN(Cc1cccnc1)C2 ZINC001207280097 800722174 /nfs/dbraw/zinc/72/21/74/800722174.db2.gz NUUCJMSBZYAZJE-UHFFFAOYSA-N 1 3 316.493 2.177 20 0 DEADHO CN(C)CC(C)(C)C[NH+]1CCC(NC(=O)N2CCCCC2)CC1 ZINC001207284945 800723812 /nfs/dbraw/zinc/72/38/12/800723812.db2.gz VKBDSVKMSLVZEI-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO COC(=O)[C@H]1CN(CCC2CC[NH+](C)CC2)Cc2ccccc21 ZINC001207487958 800765535 /nfs/dbraw/zinc/76/55/35/800765535.db2.gz ZVZOFMKLTQIBAT-SFHVURJKSA-N 1 3 316.445 2.491 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000935987210 800820499 /nfs/dbraw/zinc/82/04/99/800820499.db2.gz XYJJRGQBGXEVCJ-SJORKVTESA-N 1 3 321.440 2.417 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000935987210 800820505 /nfs/dbraw/zinc/82/05/05/800820505.db2.gz XYJJRGQBGXEVCJ-SJORKVTESA-N 1 3 321.440 2.417 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]CCC(C)(C)C)C2)CCC1 ZINC001208331271 800956654 /nfs/dbraw/zinc/95/66/54/800956654.db2.gz PBLCBBIBNMTFJV-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001208530365 801005010 /nfs/dbraw/zinc/00/50/10/801005010.db2.gz RORMXVLZJJJXHQ-APBGNUCKSA-N 1 3 309.498 2.365 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001208530365 801005017 /nfs/dbraw/zinc/00/50/17/801005017.db2.gz RORMXVLZJJJXHQ-APBGNUCKSA-N 1 3 309.498 2.365 20 0 DEADHO CN1CCC[C@H](C[NH+]2C[C@H]3CN(Cc4cccs4)C[C@@H]3C2)C1 ZINC001208606664 801027262 /nfs/dbraw/zinc/02/72/62/801027262.db2.gz GFMQZVHVUNGCIC-ULQDDVLXSA-N 1 3 319.518 2.454 20 0 DEADHO CC(C)CCC[NH+]1CCC(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001229185534 801238910 /nfs/dbraw/zinc/23/89/10/801238910.db2.gz NMKRSWXGDMKMIX-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCF)C1 ZINC001209951740 801311581 /nfs/dbraw/zinc/31/15/81/801311581.db2.gz MOCOQJIMFUPWQE-HOTGVXAUSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)N(C)CC(=O)NC1CC[NH+](CC2=CCCCC2)CC1 ZINC001230374418 801395586 /nfs/dbraw/zinc/39/55/86/801395586.db2.gz WKOONOYZXLDJTK-UHFFFAOYSA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CC2)CC1 ZINC001230628532 801441983 /nfs/dbraw/zinc/44/19/83/801441983.db2.gz JFTFDEMABYOVDQ-GOSISDBHSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([C@H]2CCC[N@H+]2CC2CC2)CC1 ZINC001230628532 801441985 /nfs/dbraw/zinc/44/19/85/801441985.db2.gz JFTFDEMABYOVDQ-GOSISDBHSA-N 1 3 321.509 2.440 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CCc2ccccc2)C1 ZINC001210811156 801468706 /nfs/dbraw/zinc/46/87/06/801468706.db2.gz KIGPSAKUZHOKTP-SFHVURJKSA-N 1 3 317.477 2.152 20 0 DEADHO Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001211268651 801540908 /nfs/dbraw/zinc/54/09/08/801540908.db2.gz KZABWUVIBINIRR-GOSISDBHSA-N 1 3 317.477 2.416 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001211284309 801541770 /nfs/dbraw/zinc/54/17/70/801541770.db2.gz LANZHRDYSASTQV-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C)N1CCCCC1 ZINC001211374378 801556374 /nfs/dbraw/zinc/55/63/74/801556374.db2.gz FWNPSBQBSPVRFQ-ZACQAIPSSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C)N1CCCCC1 ZINC001211374378 801556379 /nfs/dbraw/zinc/55/63/79/801556379.db2.gz FWNPSBQBSPVRFQ-ZACQAIPSSA-N 1 3 309.498 2.342 20 0 DEADHO CCCCC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001215557986 801877790 /nfs/dbraw/zinc/87/77/90/801877790.db2.gz IDRNVSPBODEFIW-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)CC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001215569250 801878095 /nfs/dbraw/zinc/87/80/95/801878095.db2.gz XQUCQXHKSQWNIL-HZPDHXFCSA-N 1 3 311.514 2.447 20 0 DEADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCCC1CCCC1 ZINC001215680680 801893371 /nfs/dbraw/zinc/89/33/71/801893371.db2.gz IRRYPVLAVYEOFI-RHSMWYFYSA-N 1 3 318.465 2.359 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001216511549 801982223 /nfs/dbraw/zinc/98/22/23/801982223.db2.gz TYYNJYISBRKKGA-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO Cc1ccc(CN2CCN(CC3CC[NH+](C)CC3)CC2)cc1O ZINC001233235707 802051064 /nfs/dbraw/zinc/05/10/64/802051064.db2.gz SFEMTAUIDSGGHM-UHFFFAOYSA-N 1 3 317.477 2.160 20 0 DEADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1OC[C@@H]1COC(C)(C)N1 ZINC001217938646 802121059 /nfs/dbraw/zinc/12/10/59/802121059.db2.gz DUTSRRSAZOAFGM-UAGQMJEPSA-N 1 3 304.434 2.248 20 0 DEADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1OC[C@@H]1COC(C)(C)N1 ZINC001217938646 802121061 /nfs/dbraw/zinc/12/10/61/802121061.db2.gz DUTSRRSAZOAFGM-UAGQMJEPSA-N 1 3 304.434 2.248 20 0 DEADHO COC(=O)c1ccc(CN2CCC3(C[NH+](C)C3)CC2)cc1OC ZINC001233533148 802145540 /nfs/dbraw/zinc/14/55/40/802145540.db2.gz AJIMJQBVRLEJHR-UHFFFAOYSA-N 1 3 318.417 2.009 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1nc2ccccc2s1 ZINC001218495422 802191946 /nfs/dbraw/zinc/19/19/46/802191946.db2.gz FEKIAPYMTNUBPY-NSHDSACASA-N 1 3 306.435 2.294 20 0 DEADHO N[C@H](CCC[NH3+])C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC001218830206 802248744 /nfs/dbraw/zinc/24/87/44/802248744.db2.gz IVFGXDSIPGUVHB-SECBINFHSA-N 1 3 309.719 2.364 20 0 DEADHO N[C@H](C(=O)Nc1ccc2sc(Cl)nc2c1)C1CC[NH2+]CC1 ZINC001218902356 802256280 /nfs/dbraw/zinc/25/62/80/802256280.db2.gz UHPDETLNANBRBA-LBPRGKRZSA-N 1 3 324.837 2.215 20 0 DEADHO N[C@@H](CC1CCCC1)C(=O)Nc1ccc2c(c1)CC[NH2+]CC2 ZINC001218937107 802261140 /nfs/dbraw/zinc/26/11/40/802261140.db2.gz KJXKJSGVMRQAOI-KRWDZBQOSA-N 1 3 301.434 2.221 20 0 DEADHO CC(=O)c1cccc(O)c1NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001218994506 802271867 /nfs/dbraw/zinc/27/18/67/802271867.db2.gz JKXUMNBJAGHSJC-AWEZNQCLSA-N 1 3 321.421 2.029 20 0 DEADHO C[C@@H](C(=O)Nc1ccc2c(c1)CNCCO2)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001219028148 802276183 /nfs/dbraw/zinc/27/61/83/802276183.db2.gz QSUAXZLADZHNSR-MGPQQGTHSA-N 1 3 317.433 2.131 20 0 DEADHO Cc1nc2cc(NC(=O)[C@@H](N)CCCC[NH3+])c(C)cc2s1 ZINC001219105720 802282759 /nfs/dbraw/zinc/28/27/59/802282759.db2.gz RQZHJEJMJQOKHP-NSHDSACASA-N 1 3 306.435 2.308 20 0 DEADHO N[C@]1(C(=O)Nc2ccc(C[NH3+])cc2)CCc2cc(F)ccc2C1 ZINC001219347011 802313634 /nfs/dbraw/zinc/31/36/34/802313634.db2.gz BZYNEAURXUCMOL-GOSISDBHSA-N 1 3 313.376 2.109 20 0 DEADHO C[C@H]1CC[C@H](NC(=O)[C@H](N)Cc2ccc(C(C)(C)C)cc2)C[NH2+]1 ZINC001219586854 802351846 /nfs/dbraw/zinc/35/18/46/802351846.db2.gz GZWHYMXEDQUREE-RRQGHBQHSA-N 1 3 317.477 2.111 20 0 DEADHO C[NH+](C)CCC(C)(C)NC(=O)[C@H](N)C12CC3CC(CC(C3)C1)C2 ZINC001220386419 802453444 /nfs/dbraw/zinc/45/34/44/802453444.db2.gz SOYCYHABCCFXPY-DZPQGLOJSA-N 1 3 321.509 2.377 20 0 DEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCc1nnc2ccccn21 ZINC000316334804 802507975 /nfs/dbraw/zinc/50/79/75/802507975.db2.gz CZWJQHQTMOUSNA-CABCVRRESA-N 1 3 301.438 2.172 20 0 DEADHO N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220884583 802508420 /nfs/dbraw/zinc/50/84/20/802508420.db2.gz HUKHGIOLZMFBPF-RBUKOAKNSA-N 1 3 323.440 2.092 20 0 DEADHO [NH3+]CCCCCCCC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001221397883 802566731 /nfs/dbraw/zinc/56/67/31/802566731.db2.gz PGDUTYLMTPXHMF-KRWDZBQOSA-N 1 3 303.450 2.116 20 0 DEADHO CC(C)=CCC[C@@H](C)CC[N@@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001222521521 802700314 /nfs/dbraw/zinc/70/03/14/802700314.db2.gz ULMRLVGZUHYCQP-VQIMIIECSA-N 1 3 319.493 2.171 20 0 DEADHO CC(C)=CCC[C@@H](C)CC[N@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001222521521 802700317 /nfs/dbraw/zinc/70/03/17/802700317.db2.gz ULMRLVGZUHYCQP-VQIMIIECSA-N 1 3 319.493 2.171 20 0 DEADHO CC[C@H](C(=O)NCC1CC[NH+](CC2CC(C)C2)CC1)N(C)C ZINC001223596557 802802507 /nfs/dbraw/zinc/80/25/07/802802507.db2.gz CYPACQPNZFYNNF-BDVYOWHSSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)C[NH+]1CCC(CNC(=O)C(C)(C)N2CCCC2)CC1 ZINC001224023934 802830536 /nfs/dbraw/zinc/83/05/36/802830536.db2.gz FPVRMHBGLMNMQJ-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C)C[NH+]1CCC(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001224558226 802882015 /nfs/dbraw/zinc/88/20/15/802882015.db2.gz CGJPMBNRWXQPNO-JKSUJKDBSA-N 1 3 309.498 2.203 20 0 DEADHO CN(C)[C@@H](C(=O)NC1CC[NH+](CC2=CCCCC2)CC1)C1CC1 ZINC001227818105 803283995 /nfs/dbraw/zinc/28/39/95/803283995.db2.gz QNJAJYIKAMOSPA-GOSISDBHSA-N 1 3 319.493 2.408 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)CCc1cccs1 ZINC001418464707 1167678296 /nfs/dbraw/zinc/67/82/96/1167678296.db2.gz ZOYWNKMWJRUNLZ-INIZCTEOSA-N 1 3 323.506 2.213 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(C)CCc1cccs1 ZINC001418464707 1167678300 /nfs/dbraw/zinc/67/83/00/1167678300.db2.gz ZOYWNKMWJRUNLZ-INIZCTEOSA-N 1 3 323.506 2.213 20 0 DEADHO CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](C)N1CCCCCC1 ZINC001331331733 1149420427 /nfs/dbraw/zinc/42/04/27/1149420427.db2.gz CIPPDKPGHMSTCO-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)N1CCC2(CC[N@H+](CCCF)C2)CC1 ZINC001419427364 1168465762 /nfs/dbraw/zinc/46/57/62/1168465762.db2.gz FGNNWWHCRHROCV-UHFFFAOYSA-N 1 3 313.461 2.002 20 0 DEADHO CCCN(C)CC(=O)N1CCC2(CC[N@@H+](CCCF)C2)CC1 ZINC001419427364 1168465766 /nfs/dbraw/zinc/46/57/66/1168465766.db2.gz FGNNWWHCRHROCV-UHFFFAOYSA-N 1 3 313.461 2.002 20 0 DEADHO CN(C/C=C/Cl)C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001370301673 1149502316 /nfs/dbraw/zinc/50/23/16/1149502316.db2.gz HHVWSBDUOFITEP-RZIFZGNASA-N 1 3 315.889 2.251 20 0 DEADHO CCOC(=O)c1cc(CNCCCC[N@@H+]2CCC[C@@H](C)C2)[nH]n1 ZINC001328511596 1148804503 /nfs/dbraw/zinc/80/45/03/1148804503.db2.gz KWFFSDRBISESDF-CQSZACIVSA-N 1 3 322.453 2.188 20 0 DEADHO CCOC(=O)c1cc(CNCCCC[N@H+]2CCC[C@@H](C)C2)[nH]n1 ZINC001328511596 1148804504 /nfs/dbraw/zinc/80/45/04/1148804504.db2.gz KWFFSDRBISESDF-CQSZACIVSA-N 1 3 322.453 2.188 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC=C(Cl)Cl)C1)N(C)C ZINC001368494270 1148467103 /nfs/dbraw/zinc/46/71/03/1148467103.db2.gz DFUDUBZTFSBWNP-GRYCIOLGSA-N 1 3 322.280 2.130 20 0 DEADHO CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(-c2nnn[n-]2)cc1 ZINC001604052400 1070187672 /nfs/dbraw/zinc/18/76/72/1070187672.db2.gz BCSRWMUVPSWJMN-SWLSCSKDSA-N 1 3 302.426 2.425 20 0 DEADHO CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(-c2nn[n-]n2)cc1 ZINC001604052400 1070187678 /nfs/dbraw/zinc/18/76/78/1070187678.db2.gz BCSRWMUVPSWJMN-SWLSCSKDSA-N 1 3 302.426 2.425 20 0 DEADHO CC[C@@H]([NH2+][C@H](C)CCCC[NH3+])c1ccc(-c2nnn[n-]2)cc1 ZINC001604052398 1070186945 /nfs/dbraw/zinc/18/69/45/1070186945.db2.gz BCSRWMUVPSWJMN-IUODEOHRSA-N 1 3 302.426 2.425 20 0 DEADHO CC[C@@H]([NH2+][C@H](C)CCCC[NH3+])c1ccc(-c2nn[n-]n2)cc1 ZINC001604052398 1070186948 /nfs/dbraw/zinc/18/69/48/1070186948.db2.gz BCSRWMUVPSWJMN-IUODEOHRSA-N 1 3 302.426 2.425 20 0 DEADHO CC[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001604060986 1070192236 /nfs/dbraw/zinc/19/22/36/1070192236.db2.gz IUZZTOMXPWQQLD-LRDDRELGSA-N 1 3 314.437 2.296 20 0 DEADHO CC[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001604060986 1070192240 /nfs/dbraw/zinc/19/22/40/1070192240.db2.gz IUZZTOMXPWQQLD-LRDDRELGSA-N 1 3 314.437 2.296 20 0 DEADHO C[C@@H](NC(=O)CCC[NH+]1CCCCC1)C1CN(CCCF)C1 ZINC001369101447 1148849033 /nfs/dbraw/zinc/84/90/33/1148849033.db2.gz NUNSARMMMSGLIK-OAHLLOKOSA-N 1 3 313.461 2.049 20 0 DEADHO Cc1cccc(CCN2CCC(O)(C[NH+]3CCCCC3)CC2)n1 ZINC001460949905 1058547387 /nfs/dbraw/zinc/54/73/87/1058547387.db2.gz XFFQDWJDOHTBDK-UHFFFAOYSA-N 1 3 317.477 2.245 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@](C)(CNC(=O)CN(C)C2CCC2)C1 ZINC001500501595 1058859978 /nfs/dbraw/zinc/85/99/78/1058859978.db2.gz CQCCIZPSPDWKJC-GOSISDBHSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[N@H+]1CCC[C@](C)(CNC(=O)CN(C)C2CCC2)C1 ZINC001500501595 1058860007 /nfs/dbraw/zinc/86/00/07/1058860007.db2.gz CQCCIZPSPDWKJC-GOSISDBHSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](C(=O)NCC1([NH2+]CCCF)CCC1)N1CCCCCC1 ZINC001502005961 1059862467 /nfs/dbraw/zinc/86/24/67/1059862467.db2.gz YAPAONPHXBIGEK-OAHLLOKOSA-N 1 3 313.461 2.239 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCCCCF)CC1)N(C)C ZINC001502142284 1059987632 /nfs/dbraw/zinc/98/76/32/1059987632.db2.gz DQWJOJZBFBKALY-CVEARBPZSA-N 1 3 315.477 2.437 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCCCCF)CC1)N(C)C ZINC001502142284 1059987645 /nfs/dbraw/zinc/98/76/45/1059987645.db2.gz DQWJOJZBFBKALY-CVEARBPZSA-N 1 3 315.477 2.437 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H]2CCC[N@H+](CC)C2)C1 ZINC001502405022 1060114411 /nfs/dbraw/zinc/11/44/11/1060114411.db2.gz QRWSPPHTWWONOK-IRXDYDNUSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+](CC)C2)C1 ZINC001502405022 1060114422 /nfs/dbraw/zinc/11/44/22/1060114422.db2.gz QRWSPPHTWWONOK-IRXDYDNUSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)[NH+]1CCC(N2CCN(C[C@@]3(C)CCCCO3)CC2)CC1 ZINC001474357908 1060858995 /nfs/dbraw/zinc/85/89/95/1060858995.db2.gz FUHBEGPFLWOVIP-LJQANCHMSA-N 1 3 323.525 2.436 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)CC1CCC1 ZINC001506014493 1061272533 /nfs/dbraw/zinc/27/25/33/1061272533.db2.gz BPYXDQAUEXDKQN-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC1CCC1 ZINC001506014493 1061272556 /nfs/dbraw/zinc/27/25/56/1061272556.db2.gz BPYXDQAUEXDKQN-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@H+](C)[C@H]1CCc2ccccc21 ZINC001506065275 1061635253 /nfs/dbraw/zinc/63/52/53/1061635253.db2.gz MGSMMLVGNBAHLH-QAPCUYQASA-N 1 3 317.477 2.451 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001506065275 1061635260 /nfs/dbraw/zinc/63/52/60/1061635260.db2.gz MGSMMLVGNBAHLH-QAPCUYQASA-N 1 3 317.477 2.451 20 0 DEADHO CCCN(C(=O)CN1CC[C@@H](C)C1)C1CC[NH+](CCC)CC1 ZINC001479995083 1062157766 /nfs/dbraw/zinc/15/77/66/1062157766.db2.gz GUKRSSPUEDIYJW-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C(=O)CN1CC[C@H](C)C1)C1CC[NH+](CCC)CC1 ZINC001479995082 1062158332 /nfs/dbraw/zinc/15/83/32/1062158332.db2.gz GUKRSSPUEDIYJW-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]21 ZINC001506832423 1062419690 /nfs/dbraw/zinc/41/96/90/1062419690.db2.gz VFVAWALXJBWYJS-OSYLJGHBSA-N 1 3 321.509 2.057 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]21 ZINC001506832423 1062419695 /nfs/dbraw/zinc/41/96/95/1062419695.db2.gz VFVAWALXJBWYJS-OSYLJGHBSA-N 1 3 321.509 2.057 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001480237551 1062502453 /nfs/dbraw/zinc/50/24/53/1062502453.db2.gz CNHUYFXIYHIRKH-XYPHTWIQSA-N 1 3 321.440 2.464 20 0 DEADHO CCc1ccccc1C[NH2+][C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001480476459 1062909899 /nfs/dbraw/zinc/90/98/99/1062909899.db2.gz ANQZOMPIKUZUTP-OAHLLOKOSA-N 1 3 317.477 2.328 20 0 DEADHO CC/C=C\CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001507312266 1063078407 /nfs/dbraw/zinc/07/84/07/1063078407.db2.gz HKACGSPWOCNKGY-LGZALOBFSA-N 1 3 307.482 2.406 20 0 DEADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]CC[C@H](C)F ZINC001480595487 1063085212 /nfs/dbraw/zinc/08/52/12/1063085212.db2.gz BIKIAFZIPCVPKH-UONOGXRCSA-N 1 3 309.429 2.204 20 0 DEADHO CC(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC001507324498 1063099074 /nfs/dbraw/zinc/09/90/74/1063099074.db2.gz KBSGINJPDRFFNL-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC1CC2(CCC2)C1 ZINC001480792282 1063352542 /nfs/dbraw/zinc/35/25/42/1063352542.db2.gz KJQSEDYGZGTDLP-HZPDHXFCSA-N 1 3 321.509 2.393 20 0 DEADHO Cc1ccc(C[NH2+]CCN(C)C(=O)[C@H](C(C)C)N(C)C)cc1C ZINC001493586352 1063875006 /nfs/dbraw/zinc/87/50/06/1063875006.db2.gz OOLSTLQYMMEADP-SFHVURJKSA-N 1 3 319.493 2.438 20 0 DEADHO Cc1cccc(Cl)c1CNCCN(C)C(=O)CC[NH+](C)C ZINC001493681971 1063914147 /nfs/dbraw/zinc/91/41/47/1063914147.db2.gz SCRUOAHVPPRUEI-UHFFFAOYSA-N 1 3 311.857 2.148 20 0 DEADHO CC(C)[C@H](C(=O)N(C)CC[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001567555756 1064250709 /nfs/dbraw/zinc/25/07/09/1064250709.db2.gz BRRXZMZHWMZJBR-MRXNPFEDSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@@H](F)CNCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001567570755 1064259052 /nfs/dbraw/zinc/25/90/52/1064259052.db2.gz GOWXAZLVIFTNKM-CABCVRRESA-N 1 3 301.450 2.045 20 0 DEADHO CC[C@@H](F)CNCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001567570755 1064259057 /nfs/dbraw/zinc/25/90/57/1064259057.db2.gz GOWXAZLVIFTNKM-CABCVRRESA-N 1 3 301.450 2.045 20 0 DEADHO CC[C@@H](F)CNCCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001567571072 1064259101 /nfs/dbraw/zinc/25/91/01/1064259101.db2.gz MSYNWZYZRBZEJU-LSDHHAIUSA-N 1 3 301.450 2.047 20 0 DEADHO CC[C@H](C(=O)N(C)CC[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001567590685 1064265892 /nfs/dbraw/zinc/26/58/92/1064265892.db2.gz IKGZEDGBHZSUSK-OAHLLOKOSA-N 1 3 311.857 2.228 20 0 DEADHO C[C@@H](F)CC[NH2+]C[C@H]1CCCN1C(=O)CN(C)CC(C)(C)C ZINC001568146625 1064669995 /nfs/dbraw/zinc/66/99/95/1064669995.db2.gz OOCZGPXUUJWLIE-HUUCEWRRSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H](CC[NH2+]C/C=C/Cl)C1 ZINC001495392616 1064876149 /nfs/dbraw/zinc/87/61/49/1064876149.db2.gz GJMMTUWDFAREOI-PXTSUWAFSA-N 1 3 315.889 2.297 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC(CC[NH2+]CC2CCCC2)CC1 ZINC001495404357 1064885128 /nfs/dbraw/zinc/88/51/28/1064885128.db2.gz VQZGQDFLMGMDFX-GOSISDBHSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)C[NH2+]CC[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001568677884 1065043264 /nfs/dbraw/zinc/04/32/64/1065043264.db2.gz HNDCGRHOSBONKS-WMLDXEAASA-N 1 3 315.477 2.339 20 0 DEADHO C[C@H](CC[NH2+]Cc1ccccc1)NC(=O)CN1CC[C@@H](C)C1 ZINC001568678210 1065043794 /nfs/dbraw/zinc/04/37/94/1065043794.db2.gz MVLSZHVESWVJNG-HZPDHXFCSA-N 1 3 303.450 2.013 20 0 DEADHO CCN(CC[NH2+]CC1CC(F)(F)C1)C(=O)[C@H](C(C)C)N(C)C ZINC001568749098 1065098223 /nfs/dbraw/zinc/09/82/23/1065098223.db2.gz CONQBQSAKRUWNN-AWEZNQCLSA-N 1 3 319.440 2.056 20 0 DEADHO CCN(CC[NH2+]Cc1c(C)cccc1C)C(=O)CN1CCCC1 ZINC001568798126 1065123204 /nfs/dbraw/zinc/12/32/04/1065123204.db2.gz VQUOTZCRGITKLB-UHFFFAOYSA-N 1 3 317.477 2.337 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]C[C@@H](C)CNC(=O)CN(C)C(C)C ZINC001495816347 1065127570 /nfs/dbraw/zinc/12/75/70/1065127570.db2.gz ULVXQEUVSGHNRT-CQSZACIVSA-N 1 3 323.456 2.316 20 0 DEADHO O=C(CN1CCCC1)NC/C=C\C[NH2+]CCC1CCCCC1 ZINC001568964326 1065215387 /nfs/dbraw/zinc/21/53/87/1065215387.db2.gz QZFHTMDJHBFGHA-PLNGDYQASA-N 1 3 307.482 2.315 20 0 DEADHO C[NH+](C)CCNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028221009 1078181096 /nfs/dbraw/zinc/18/10/96/1078181096.db2.gz RYEXPUNFNUUDEA-OAHLLOKOSA-N 1 3 323.868 2.230 20 0 DEADHO C[C@H]([NH2+]CCF)[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001496445582 1065475099 /nfs/dbraw/zinc/47/50/99/1065475099.db2.gz CEYFLSPQGUXLRL-GJZGRUSLSA-N 1 3 315.477 2.151 20 0 DEADHO CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001569421068 1065501253 /nfs/dbraw/zinc/50/12/53/1065501253.db2.gz KKQHRFVKCUUMIN-INIZCTEOSA-N 1 3 307.482 2.454 20 0 DEADHO CCCCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001569824212 1065744441 /nfs/dbraw/zinc/74/44/41/1065744441.db2.gz OLNWEOWGZGXGRZ-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001496866016 1065765223 /nfs/dbraw/zinc/76/52/23/1065765223.db2.gz ZWRQABPLKKIKDN-WBVHZDCISA-N 1 3 318.465 2.311 20 0 DEADHO CC(C)CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001496866016 1065765237 /nfs/dbraw/zinc/76/52/37/1065765237.db2.gz ZWRQABPLKKIKDN-WBVHZDCISA-N 1 3 318.465 2.311 20 0 DEADHO CC(C)CC[NH2+]CC[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001569984788 1065861070 /nfs/dbraw/zinc/86/10/70/1065861070.db2.gz XIJBUNXFANNZBY-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CCN(CC[NH2+]CC1CC2(CCC2)C1)C(=O)CN(C)C(C)C ZINC001497501296 1066117163 /nfs/dbraw/zinc/11/71/63/1066117163.db2.gz QZQKHAWHEBYUCC-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](C[NH2+]CC1CCCCCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001497909747 1066408887 /nfs/dbraw/zinc/40/88/87/1066408887.db2.gz BZYMFCYKFZMNMS-HZPDHXFCSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CNCc1ccns1 ZINC001498133398 1066521765 /nfs/dbraw/zinc/52/17/65/1066521765.db2.gz VGIBIQKIDVYLNY-ZFWWWQNUSA-N 1 3 324.494 2.000 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CNCc1ccns1 ZINC001498133398 1066521773 /nfs/dbraw/zinc/52/17/73/1066521773.db2.gz VGIBIQKIDVYLNY-ZFWWWQNUSA-N 1 3 324.494 2.000 20 0 DEADHO C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)C[C@H](C)N1 ZINC001576772171 1066686532 /nfs/dbraw/zinc/68/65/32/1066686532.db2.gz KWITXVZDLZYNHH-HLLBOEOZSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)C[C@H](C)N1 ZINC001576772171 1066686537 /nfs/dbraw/zinc/68/65/37/1066686537.db2.gz KWITXVZDLZYNHH-HLLBOEOZSA-N 1 3 322.497 2.175 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[N@H+](C)CCCC1CCC1 ZINC001498442820 1066707605 /nfs/dbraw/zinc/70/76/05/1066707605.db2.gz HLBMSVWLQKSZRL-CYBMUJFWSA-N 1 3 306.454 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[N@@H+](C)CCCC1CCC1 ZINC001498442820 1066707609 /nfs/dbraw/zinc/70/76/09/1066707609.db2.gz HLBMSVWLQKSZRL-CYBMUJFWSA-N 1 3 306.454 2.277 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@H](C[NH2+]CC1CCCC1)C1CC1)N(C)C ZINC001369220030 1148872839 /nfs/dbraw/zinc/87/28/39/1148872839.db2.gz YTFHSGIEAMYAFU-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(CCC[NH+](C)C)C(=O)c1cc2c(s1)CNCC2 ZINC001577519766 1066866232 /nfs/dbraw/zinc/86/62/32/1066866232.db2.gz VNWPLBBNILOYOB-UHFFFAOYSA-N 1 3 309.479 2.198 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C1CC1)N(C)C ZINC001498822097 1066910724 /nfs/dbraw/zinc/91/07/24/1066910724.db2.gz UENXAXZKJGHNIQ-JKSUJKDBSA-N 1 3 311.514 2.493 20 0 DEADHO CC[NH2+]CC(=O)N(C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001577830552 1066935431 /nfs/dbraw/zinc/93/54/31/1066935431.db2.gz YBRPNTAMNSMTIL-KRWDZBQOSA-N 1 3 303.450 2.107 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)[C@@H](N)C3CCCCC3)C[C@@H]2C1 ZINC001578410688 1067090833 /nfs/dbraw/zinc/09/08/33/1067090833.db2.gz JRMQQECPZTZQQW-TWMKSMIVSA-N 1 3 307.482 2.083 20 0 DEADHO CN(C[C@H]1CCCN1CC1(C[NH3+])CCC1)C(=O)OC(C)(C)C ZINC001578452438 1067106652 /nfs/dbraw/zinc/10/66/52/1067106652.db2.gz SIWKEDJOUWRCAX-CQSZACIVSA-N 1 3 311.470 2.447 20 0 DEADHO COC(=O)C1=C(C)O[C@H](CN2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC001578783457 1067170219 /nfs/dbraw/zinc/17/02/19/1067170219.db2.gz MVERQIXWPJTANM-HLLBOEOZSA-N 1 3 322.449 2.076 20 0 DEADHO COC(=O)c1ccc2c(c1)[C@H](C[NH2+]CC(C)(C)CN)CCC2 ZINC001578874112 1067187106 /nfs/dbraw/zinc/18/71/06/1067187106.db2.gz KKKNHNPKEJMIFG-HNNXBMFYSA-N 1 3 304.434 2.468 20 0 DEADHO COCC[N@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@H]1CC[C@H](C)C1 ZINC001579032647 1067224235 /nfs/dbraw/zinc/22/42/35/1067224235.db2.gz CFKJDAUHRABKAF-WNHJNPCNSA-N 1 3 320.477 2.054 20 0 DEADHO COCC[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@H]1CC[C@H](C)C1 ZINC001579032647 1067224238 /nfs/dbraw/zinc/22/42/38/1067224238.db2.gz CFKJDAUHRABKAF-WNHJNPCNSA-N 1 3 320.477 2.054 20 0 DEADHO COc1cnc(F)c(CN2CCC3(C[NH2+][C@@H]3C(C)C)CC2)c1 ZINC001579322323 1067303912 /nfs/dbraw/zinc/30/39/12/1067303912.db2.gz QUELMAHEGUDMGE-OAHLLOKOSA-N 1 3 307.413 2.439 20 0 DEADHO Cc1c(C[C@@H](C[NH3+])CNC(C)(C)c2ccc(C)nc2)cnn1C ZINC001579665871 1067400435 /nfs/dbraw/zinc/40/04/35/1067400435.db2.gz JKGLXTFHYIQREJ-HNNXBMFYSA-N 1 3 315.465 2.074 20 0 DEADHO [NH3+][C@@H](CNCCc1cc(Cl)c2c(c1)OCCO2)CC(F)F ZINC001580133199 1067505195 /nfs/dbraw/zinc/50/51/95/1067505195.db2.gz UNQPJORUEFMOSB-SNVBAGLBSA-N 1 3 320.767 2.226 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)C1C[NH+](CC2=CCCCC2)C1 ZINC001570843482 1068137367 /nfs/dbraw/zinc/13/73/67/1068137367.db2.gz JFGVXWYEFNUKHS-OAHLLOKOSA-N 1 3 319.493 2.408 20 0 DEADHO CC(C)=CC[NH2+][C@@H](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001267207073 1078665738 /nfs/dbraw/zinc/66/57/38/1078665738.db2.gz ANIBYIKIFQELKB-AWEZNQCLSA-N 1 3 304.438 2.135 20 0 DEADHO CN(CCNC(=O)CC1CC[NH+](C)CC1)CC1=CCCCC1 ZINC001267219889 1078675005 /nfs/dbraw/zinc/67/50/05/1078675005.db2.gz AZTNFKDUAVSXEN-UHFFFAOYSA-N 1 3 307.482 2.267 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CCCF)CN1C(=O)c1cccc(CN(C)C)c1 ZINC001571493213 1068351900 /nfs/dbraw/zinc/35/19/00/1068351900.db2.gz OCQVIHDIKLNJCH-YOEHRIQHSA-N 1 3 321.440 2.300 20 0 DEADHO CC/C=C\CC[NH2+]C1CC(N(C)C(=O)CN2CC[C@H](C)C2)C1 ZINC001571661936 1068467812 /nfs/dbraw/zinc/46/78/12/1068467812.db2.gz JWIYAIPLCRTWQC-WTECKGAVSA-N 1 3 307.482 2.264 20 0 DEADHO CC/C=C/CC[N@H+]1CC=C(CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001571695306 1068486905 /nfs/dbraw/zinc/48/69/05/1068486905.db2.gz JUFRUYZDXRBQPH-OZSKJFCKSA-N 1 3 307.482 2.431 20 0 DEADHO CC/C=C/CC[N@@H+]1CC=C(CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001571695306 1068486908 /nfs/dbraw/zinc/48/69/08/1068486908.db2.gz JUFRUYZDXRBQPH-OZSKJFCKSA-N 1 3 307.482 2.431 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@@H]1CCN1CCC1CCCCCC1 ZINC001483676748 1078775030 /nfs/dbraw/zinc/77/50/30/1078775030.db2.gz KSKASPNDYFOAHZ-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCN2CCCC(C)(C)C)C1 ZINC001483693660 1078813653 /nfs/dbraw/zinc/81/36/53/1078813653.db2.gz GBZVBCYTGVBCLV-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCN2CCCC(C)(C)C)C1 ZINC001483693660 1078813673 /nfs/dbraw/zinc/81/36/73/1078813673.db2.gz GBZVBCYTGVBCLV-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1nccn1-c1ccncc1NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001645584326 1078926291 /nfs/dbraw/zinc/92/62/91/1078926291.db2.gz YIIMQCFVIYUQJJ-CHWSQXEVSA-N 1 3 313.405 2.387 20 0 DEADHO CN(C)CCN1CC2(CCC1=O)CC[NH+](CC1CCCC1)CC2 ZINC001272499064 1078928453 /nfs/dbraw/zinc/92/84/53/1078928453.db2.gz HFIAGCUFZPNYIV-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CC[NH+](CC)CC1CCN(Cc2c(C)nn(CCO)c2C)CC1 ZINC001645644524 1078946734 /nfs/dbraw/zinc/94/67/34/1078946734.db2.gz FXKZLYPUULEIPQ-UHFFFAOYSA-N 1 3 322.497 2.046 20 0 DEADHO CN1CCN(Cc2cccc(C[NH2+]C[C@@H]3CCSC3)c2)CC1 ZINC001645732806 1078974984 /nfs/dbraw/zinc/97/49/84/1078974984.db2.gz WHDYCPJKCCGVQG-SFHVURJKSA-N 1 3 319.518 2.277 20 0 DEADHO C[C@H](N[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC001549337589 1073129659 /nfs/dbraw/zinc/12/96/59/1073129659.db2.gz FKKSCEFAWGGLNY-OWLYRPNTSA-N 1 3 315.461 2.315 20 0 DEADHO C[C@@H](NC(=O)C(C)(C)N1CCCCC1)C1C[NH+](CC2CC2)C1 ZINC001409897134 1079044332 /nfs/dbraw/zinc/04/43/32/1079044332.db2.gz DXRVEZYHHBNXBB-CQSZACIVSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCc1ccsc1 ZINC001493547872 1079079074 /nfs/dbraw/zinc/07/90/74/1079079074.db2.gz XVBLLQZAKKUURR-HNNXBMFYSA-N 1 3 309.479 2.169 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCNCc1ccsc1 ZINC001493547872 1079079083 /nfs/dbraw/zinc/07/90/83/1079079083.db2.gz XVBLLQZAKKUURR-HNNXBMFYSA-N 1 3 309.479 2.169 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)C[C@H]3CCC[C@H]3[NH3+])C2)cc1 ZINC001550101546 1073427108 /nfs/dbraw/zinc/42/71/08/1073427108.db2.gz WWMDUYABMJLJCG-FGTMMUONSA-N 1 3 315.461 2.203 20 0 DEADHO O=C(NC[C@@H]1CCN1C1CCCC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001550328979 1073596218 /nfs/dbraw/zinc/59/62/18/1073596218.db2.gz GCGRNGHKLKXPTG-ULQDDVLXSA-N 1 3 305.466 2.136 20 0 DEADHO O=C(NC[C@@H]1CCN1C1CCCC1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001550328979 1073596223 /nfs/dbraw/zinc/59/62/23/1073596223.db2.gz GCGRNGHKLKXPTG-ULQDDVLXSA-N 1 3 305.466 2.136 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001483798552 1079129137 /nfs/dbraw/zinc/12/91/37/1079129137.db2.gz IOVPMHJWJXFYDO-SFHVURJKSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001483798552 1079129138 /nfs/dbraw/zinc/12/91/38/1079129138.db2.gz IOVPMHJWJXFYDO-SFHVURJKSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@@H](F)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1c[nH]cn1 ZINC001483806406 1079133807 /nfs/dbraw/zinc/13/38/07/1079133807.db2.gz YJMOMRWJVZTCRJ-WPXLMEDKSA-N 1 3 322.428 2.202 20 0 DEADHO Cc1ncsc1CN[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@@H]1O ZINC001550421948 1073647561 /nfs/dbraw/zinc/64/75/61/1073647561.db2.gz JISMWDGMLGCZAA-CLWVCHIJSA-N 1 3 309.479 2.021 20 0 DEADHO Cc1ncsc1CN[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@@H]1O ZINC001550421948 1073647565 /nfs/dbraw/zinc/64/75/65/1073647565.db2.gz JISMWDGMLGCZAA-CLWVCHIJSA-N 1 3 309.479 2.021 20 0 DEADHO C[N@H+]1C[C@@H](c2ccccc2)[C@@H](CN[C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC001550511977 1073684008 /nfs/dbraw/zinc/68/40/08/1073684008.db2.gz OPQWFNOCJLMCSI-CADBVGFASA-N 1 3 300.446 2.489 20 0 DEADHO C[N@@H+]1C[C@@H](c2ccccc2)[C@@H](CN[C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC001550511977 1073684012 /nfs/dbraw/zinc/68/40/12/1073684012.db2.gz OPQWFNOCJLMCSI-CADBVGFASA-N 1 3 300.446 2.489 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CC[N@H+](CC2=CCCCC2)C1)N(C)C ZINC001481098542 1079180943 /nfs/dbraw/zinc/18/09/43/1079180943.db2.gz BLWUXSNGSDDZBO-IAGOWNOFSA-N 1 3 307.482 2.265 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CC[N@@H+](CC2=CCCCC2)C1)N(C)C ZINC001481098542 1079180948 /nfs/dbraw/zinc/18/09/48/1079180948.db2.gz BLWUXSNGSDDZBO-IAGOWNOFSA-N 1 3 307.482 2.265 20 0 DEADHO CCCN1CCCC[C@H]1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC001649830443 1079244188 /nfs/dbraw/zinc/24/41/88/1079244188.db2.gz QEIIMBSYBIPCCT-KRWDZBQOSA-N 1 3 307.482 2.384 20 0 DEADHO CC(C)CN(C(=O)[C@H]1C[C@H]1C1CC[NH2+]CC1)C1CCN(C)CC1 ZINC001552161556 1074479839 /nfs/dbraw/zinc/47/98/39/1074479839.db2.gz WLJSFEQQEJZDQM-ROUUACIJSA-N 1 3 321.509 2.201 20 0 DEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCO[C@@H]2c2ccnn2C)C1 ZINC001552381057 1074560774 /nfs/dbraw/zinc/56/07/74/1074560774.db2.gz OGUIVOKKELYPJC-HPFXQQBRSA-N 1 3 320.481 2.350 20 0 DEADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)[C@@H]1CCCC[NH2+]C1 ZINC001552415605 1074571956 /nfs/dbraw/zinc/57/19/56/1074571956.db2.gz FGZXVYDQOFOELS-QZTJIDSGSA-N 1 3 315.461 2.329 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@@H]2CCCC[NH2+]C2)N(C)C)cc1 ZINC001552413827 1074572015 /nfs/dbraw/zinc/57/20/15/1074572015.db2.gz SVDJPXWNXZOUBU-MSOLQXFVSA-N 1 3 317.477 2.358 20 0 DEADHO NC1(C(=O)N2CCC[C@@H]([C@@H]3CCCC[NH2+]3)C2)CC2(CCC2)C1 ZINC001552437655 1074576510 /nfs/dbraw/zinc/57/65/10/1074576510.db2.gz ALALNOYTIIHGTF-CABCVRRESA-N 1 3 305.466 2.029 20 0 DEADHO [NH3+][C@@H]1C[C@H](c2ccccc2)N(C(=O)c2cccc3c2CNC3)C1 ZINC001552433149 1074576589 /nfs/dbraw/zinc/57/65/89/1074576589.db2.gz GEHVAZJLGATANW-CRAIPNDOSA-N 1 3 307.397 2.204 20 0 DEADHO N[C@@H](C(=O)Nc1ccc(OCC[NH3+])cc1)C1CCCCCC1 ZINC001646744138 1074593341 /nfs/dbraw/zinc/59/33/41/1074593341.db2.gz NOCAXQDMRLBIFA-MRXNPFEDSA-N 1 3 305.422 2.260 20 0 DEADHO CN(C)[C@@H]1CCC[N@H+](C[C@H]2CCCO[C@@H]2c2ccnn2C)CC1 ZINC001552533085 1074602458 /nfs/dbraw/zinc/60/24/58/1074602458.db2.gz RSTBXSORCICJFX-NUJGCVRESA-N 1 3 320.481 2.304 20 0 DEADHO CN(C)[C@@H]1CCC[N@@H+](C[C@H]2CCCO[C@@H]2c2ccnn2C)CC1 ZINC001552533085 1074602463 /nfs/dbraw/zinc/60/24/63/1074602463.db2.gz RSTBXSORCICJFX-NUJGCVRESA-N 1 3 320.481 2.304 20 0 DEADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC001646769934 1074609985 /nfs/dbraw/zinc/60/99/85/1074609985.db2.gz ZEIHZPAUEAYANU-MDMSPXHWSA-N 1 3 319.493 2.430 20 0 DEADHO CC(C)C[C@H]([NH3+])CC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC001646845301 1074647192 /nfs/dbraw/zinc/64/71/92/1074647192.db2.gz HALMPSUODXHBKY-HOTGVXAUSA-N 1 3 309.429 2.308 20 0 DEADHO CC[NH+](CC)CC[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001647013534 1074767354 /nfs/dbraw/zinc/76/73/54/1074767354.db2.gz KOEZFIMRVAPENG-YOEHRIQHSA-N 1 3 315.477 2.436 20 0 DEADHO CC(C)=CCN(CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CC1 ZINC001481201334 1079339181 /nfs/dbraw/zinc/33/91/81/1079339181.db2.gz XTPDVKIOJRVWBR-HZPDHXFCSA-N 1 3 307.482 2.406 20 0 DEADHO CC[N@H+](CCCNC(=O)N[C@@H]1CCN(C)[C@H]1C)C1CCCCC1 ZINC001565028848 1075176490 /nfs/dbraw/zinc/17/64/90/1075176490.db2.gz VWNMMODLCVECJR-DOTOQJQBSA-N 1 3 324.513 2.423 20 0 DEADHO CC[N@@H+](CCCNC(=O)N[C@@H]1CCN(C)[C@H]1C)C1CCCCC1 ZINC001565028848 1075176491 /nfs/dbraw/zinc/17/64/91/1075176491.db2.gz VWNMMODLCVECJR-DOTOQJQBSA-N 1 3 324.513 2.423 20 0 DEADHO CC[N@H+](CCCNC(=O)N[C@H]1CCN(C)[C@@H]1C)C1CCCCC1 ZINC001565028854 1075176614 /nfs/dbraw/zinc/17/66/14/1075176614.db2.gz VWNMMODLCVECJR-WBVHZDCISA-N 1 3 324.513 2.423 20 0 DEADHO CC[N@@H+](CCCNC(=O)N[C@H]1CCN(C)[C@@H]1C)C1CCCCC1 ZINC001565028854 1075176618 /nfs/dbraw/zinc/17/66/18/1075176618.db2.gz VWNMMODLCVECJR-WBVHZDCISA-N 1 3 324.513 2.423 20 0 DEADHO CC[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CCCF)C1)N(C)C ZINC001566074748 1075224662 /nfs/dbraw/zinc/22/46/62/1075224662.db2.gz CCROPFQWNQATNW-CABCVRRESA-N 1 3 301.450 2.047 20 0 DEADHO CC(C)=CC[NH+]1CCC(N(C)C(=O)C2(N(C)C)CCC2)CC1 ZINC001566609198 1075295863 /nfs/dbraw/zinc/29/58/63/1075295863.db2.gz QQMNTUDVTICPST-UHFFFAOYSA-N 1 3 307.482 2.360 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1CN(CC2=CCCCC2)C1)[NH+](C)C ZINC001267696977 1079385788 /nfs/dbraw/zinc/38/57/88/1079385788.db2.gz BZLWHBHDXLJBME-KRWDZBQOSA-N 1 3 307.482 2.121 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCN1C ZINC001481216390 1079417414 /nfs/dbraw/zinc/41/74/14/1079417414.db2.gz ZTJOOOPIYOOKDF-RDJZCZTQSA-N 1 3 303.450 2.198 20 0 DEADHO O=C(N[C@@H]1CC[NH2+]C[C@H]1F)c1cccc(CN2CCCCC2)c1 ZINC001580615598 1075961177 /nfs/dbraw/zinc/96/11/77/1075961177.db2.gz ICEUEDUVNYAIMN-IAGOWNOFSA-N 1 3 319.424 2.102 20 0 DEADHO CC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001590464398 1076632102 /nfs/dbraw/zinc/63/21/02/1076632102.db2.gz CHMLHMFYEZMMFF-MRXNPFEDSA-N 1 3 312.421 2.169 20 0 DEADHO CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001590464398 1076632105 /nfs/dbraw/zinc/63/21/05/1076632105.db2.gz CHMLHMFYEZMMFF-MRXNPFEDSA-N 1 3 312.421 2.169 20 0 DEADHO CC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001590464398 1076632107 /nfs/dbraw/zinc/63/21/07/1076632107.db2.gz CHMLHMFYEZMMFF-MRXNPFEDSA-N 1 3 312.421 2.169 20 0 DEADHO CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001590464398 1076632109 /nfs/dbraw/zinc/63/21/09/1076632109.db2.gz CHMLHMFYEZMMFF-MRXNPFEDSA-N 1 3 312.421 2.169 20 0 DEADHO CC(C)[C@H]1CN(C(=O)[C@@H]2CCCCC23CC[NH2+]CC3)CCN1 ZINC001650343522 1079544857 /nfs/dbraw/zinc/54/48/57/1079544857.db2.gz NWAKLXPDNUJBPL-JKSUJKDBSA-N 1 3 307.482 2.003 20 0 DEADHO CC(C)CN(CC[NH+](C)C)C(=O)c1cc2c(s1)CNCC2 ZINC001650346717 1079546649 /nfs/dbraw/zinc/54/66/49/1079546649.db2.gz QCINGWBVAALLDT-UHFFFAOYSA-N 1 3 309.479 2.054 20 0 DEADHO CC(C)CC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001484369898 1079567914 /nfs/dbraw/zinc/56/79/14/1079567914.db2.gz ULVJMFVZLVMCAR-JKSUJKDBSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[C@H](C[NH2+]CC3CC3)CC2)C1 ZINC001484395707 1079585218 /nfs/dbraw/zinc/58/52/18/1079585218.db2.gz BVOKLZNYROKNCX-SZMVWBNQSA-N 1 3 321.509 2.250 20 0 DEADHO O=C(CN1CCCC1)N1CC[C@H](CC[NH2+]CC2CCCCC2)C1 ZINC001484550000 1079655329 /nfs/dbraw/zinc/65/53/29/1079655329.db2.gz PDKJSPZJCOMMAR-SFHVURJKSA-N 1 3 321.509 2.491 20 0 DEADHO CCCN(C)CC(=O)N1CCC(CC)([NH2+]C[C@H](F)CC)CC1 ZINC001484819817 1079813357 /nfs/dbraw/zinc/81/33/57/1079813357.db2.gz VXMFQDITGKOLAI-OAHLLOKOSA-N 1 3 315.477 2.437 20 0 DEADHO CCCN(C)CC(=O)N1CCC(CC)([NH2+]C[C@@H](F)CC)CC1 ZINC001484819815 1079813631 /nfs/dbraw/zinc/81/36/31/1079813631.db2.gz VXMFQDITGKOLAI-HNNXBMFYSA-N 1 3 315.477 2.437 20 0 DEADHO C[C@H](CNCC=C(Cl)Cl)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268062795 1080000863 /nfs/dbraw/zinc/00/08/63/1080000863.db2.gz DWJFZSBNWLKYRH-IJLUTSLNSA-N 1 3 322.280 2.082 20 0 DEADHO C[C@H](CNCC=C(Cl)Cl)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268062795 1080000874 /nfs/dbraw/zinc/00/08/74/1080000874.db2.gz DWJFZSBNWLKYRH-IJLUTSLNSA-N 1 3 322.280 2.082 20 0 DEADHO CC[C@H](F)C[NH2+]CC[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001268167218 1080151247 /nfs/dbraw/zinc/15/12/47/1080151247.db2.gz QQUMWNUOGLNFEA-JKSUJKDBSA-N 1 3 315.477 2.436 20 0 DEADHO CCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001268171223 1080159695 /nfs/dbraw/zinc/15/96/95/1080159695.db2.gz LRWHFCFACVGRJB-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)NC1(C[NH2+]C/C=C\Cl)CCCCC1 ZINC001485459424 1080228583 /nfs/dbraw/zinc/22/85/83/1080228583.db2.gz QMPMJZSXVBFANC-YFHOEESVSA-N 1 3 315.889 2.488 20 0 DEADHO CN(CC[N@H+](C)CCCCC(F)(F)F)C(=O)CN1CCCC1 ZINC001268257695 1080236772 /nfs/dbraw/zinc/23/67/72/1080236772.db2.gz VRSHNVBDVUGBGJ-UHFFFAOYSA-N 1 3 323.403 2.205 20 0 DEADHO CN(CC[N@@H+](C)CCCCC(F)(F)F)C(=O)CN1CCCC1 ZINC001268257695 1080236780 /nfs/dbraw/zinc/23/67/80/1080236780.db2.gz VRSHNVBDVUGBGJ-UHFFFAOYSA-N 1 3 323.403 2.205 20 0 DEADHO C[C@@H](NC(=O)C(C)(C)N1CCCCC1)C1C[NH+](CCC2CC2)C1 ZINC001485503944 1080266048 /nfs/dbraw/zinc/26/60/48/1080266048.db2.gz PTUCSMMRBRABCD-OAHLLOKOSA-N 1 3 321.509 2.488 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001485658363 1080349957 /nfs/dbraw/zinc/34/99/57/1080349957.db2.gz UWHIXLFRWIKLJJ-BBWFWOEESA-N 1 3 309.498 2.343 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001485658363 1080349961 /nfs/dbraw/zinc/34/99/61/1080349961.db2.gz UWHIXLFRWIKLJJ-BBWFWOEESA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](CC[NH2+]Cc1ccc(F)cc1)NC(=O)CN(C)C1CCC1 ZINC001268371264 1080383047 /nfs/dbraw/zinc/38/30/47/1080383047.db2.gz AHENHZVHFCNQQH-AWEZNQCLSA-N 1 3 321.440 2.294 20 0 DEADHO COc1ccc(CNCc2ccnn2-c2cc[nH+]cc2)cc1O ZINC001661243249 1080463276 /nfs/dbraw/zinc/46/32/76/1080463276.db2.gz YZTZCKLZOSEVNA-UHFFFAOYSA-N 1 3 310.357 2.271 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(C)C)[C@H](C)C1 ZINC001107036663 1080551909 /nfs/dbraw/zinc/55/19/09/1080551909.db2.gz OTWNRYPLXZBFSE-ZACQAIPSSA-N 1 3 309.498 2.201 20 0 DEADHO CC[N@H+](C)CCC(=O)NC1(CNCc2cncs2)CCCC1 ZINC001481908913 1080596993 /nfs/dbraw/zinc/59/69/93/1080596993.db2.gz ONQWWUQNMISYGP-UHFFFAOYSA-N 1 3 324.494 2.004 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC1(CNCc2cncs2)CCCC1 ZINC001481908913 1080596997 /nfs/dbraw/zinc/59/69/97/1080596997.db2.gz ONQWWUQNMISYGP-UHFFFAOYSA-N 1 3 324.494 2.004 20 0 DEADHO C[C@H]1CCN(CC(=O)NC/C=C/C[NH2+]CC2=CCCCC2)C1 ZINC001268590642 1080836276 /nfs/dbraw/zinc/83/62/76/1080836276.db2.gz HZUGQDFNHGPTAR-JFDDCEBESA-N 1 3 305.466 2.091 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]C/C=C\Cl ZINC001268706497 1080944948 /nfs/dbraw/zinc/94/49/48/1080944948.db2.gz KCEBHHAEFDVINZ-CUXBFQRZSA-N 1 3 301.862 2.096 20 0 DEADHO C[C@@H](F)CC[NH2+]C[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001268716983 1080948520 /nfs/dbraw/zinc/94/85/20/1080948520.db2.gz PKGUGWDMLDDXPR-KGLIPLIRSA-N 1 3 309.429 2.204 20 0 DEADHO Cc1cccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001268784578 1080990348 /nfs/dbraw/zinc/99/03/48/1080990348.db2.gz YGXLELPXGXYFHE-KRWDZBQOSA-N 1 3 303.450 2.027 20 0 DEADHO Cc1ccc(CC[NH2+]CCCN(C)C(=O)CN2CCCC2)cc1 ZINC001268950199 1081055174 /nfs/dbraw/zinc/05/51/74/1081055174.db2.gz ONAAAKMJGCZKHW-UHFFFAOYSA-N 1 3 317.477 2.071 20 0 DEADHO CC[C@@H](F)C[NH2+]CC[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001666174093 1081130805 /nfs/dbraw/zinc/13/08/05/1081130805.db2.gz XVKGDNIBBYABCR-HZPDHXFCSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)=CC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001667175453 1081220539 /nfs/dbraw/zinc/22/05/39/1081220539.db2.gz HTTOJWPFKNIRTG-WBVHZDCISA-N 1 3 307.482 2.264 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CC[NH2+]Cc1ccc(C)cc1 ZINC001668288591 1081338026 /nfs/dbraw/zinc/33/80/26/1081338026.db2.gz MXCUBPVQQWOQRC-CQSZACIVSA-N 1 3 314.433 2.254 20 0 DEADHO CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001668558554 1081368803 /nfs/dbraw/zinc/36/88/03/1081368803.db2.gz WLWGZBOALANYAA-KRWDZBQOSA-N 1 3 323.456 2.412 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCC1)N(C)C ZINC001270076762 1081443724 /nfs/dbraw/zinc/44/37/24/1081443724.db2.gz POUGSSODPAZJNJ-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](C[NH2+]C/C=C\c1ccccc1)NC(=O)CN(C)C1CCC1 ZINC001669581086 1081458386 /nfs/dbraw/zinc/45/83/86/1081458386.db2.gz XWLPAOSIQXXNIN-BJIFSAINSA-N 1 3 315.461 2.278 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCC2CCCC2)C1 ZINC001672840041 1081712112 /nfs/dbraw/zinc/71/21/12/1081712112.db2.gz SSKRKZHBBIQPSH-QZTJIDSGSA-N 1 3 321.509 2.489 20 0 DEADHO CCCCC[NH+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001673016540 1081732228 /nfs/dbraw/zinc/73/22/28/1081732228.db2.gz KLOBPAKILOLLQS-QGZVFWFLSA-N 1 3 321.509 2.443 20 0 DEADHO CC(C)C[C@H](CNCCF)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001482395473 1081790077 /nfs/dbraw/zinc/79/00/77/1081790077.db2.gz KQOPYKCSJOYRSM-HZPDHXFCSA-N 1 3 315.477 2.341 20 0 DEADHO C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1[NH2+]CCCF ZINC001673929649 1081814925 /nfs/dbraw/zinc/81/49/25/1081814925.db2.gz UONMXBGQUGZONU-YOEHRIQHSA-N 1 3 321.440 2.158 20 0 DEADHO CC[C@@H](C(=O)NC1CC(C[NH2+]CCC2CCCC2)C1)N(C)C ZINC001674583553 1081891216 /nfs/dbraw/zinc/89/12/16/1081891216.db2.gz UFOREJAOOFFALQ-JCYILVPMSA-N 1 3 309.498 2.391 20 0 DEADHO CN(CC(=O)N1CC2(C1)CC[N@@H+](C1CCCC1)C2)C1CCCC1 ZINC001271074966 1081897501 /nfs/dbraw/zinc/89/75/01/1081897501.db2.gz GWNJWZFYXQHUNB-UHFFFAOYSA-N 1 3 319.493 2.338 20 0 DEADHO CN(CC(=O)N1CC2(C1)CC[N@H+](C1CCCC1)C2)C1CCCC1 ZINC001271074966 1081897506 /nfs/dbraw/zinc/89/75/06/1081897506.db2.gz GWNJWZFYXQHUNB-UHFFFAOYSA-N 1 3 319.493 2.338 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1CC[NH2+]C/C=C/Cl ZINC001482456318 1081905964 /nfs/dbraw/zinc/90/59/64/1081905964.db2.gz LZJVGKBIMLGYNH-BOTMBNHJSA-N 1 3 310.829 2.066 20 0 DEADHO C[C@H](C[NH2+]CCC1CCCCC1)N(C)C(=O)Cc1c[nH]cn1 ZINC001271121805 1081919840 /nfs/dbraw/zinc/91/98/40/1081919840.db2.gz SLFONLVNLOPNGP-CQSZACIVSA-N 1 3 306.454 2.359 20 0 DEADHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCc1ccccc1)N(C)C ZINC001271170166 1081972250 /nfs/dbraw/zinc/97/22/50/1081972250.db2.gz HRNRRYKTZKENQP-NVXWUHKLSA-N 1 3 305.466 2.006 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCc1ccccc1)N(C)C ZINC001271170168 1081972623 /nfs/dbraw/zinc/97/26/23/1081972623.db2.gz HRNRRYKTZKENQP-RDJZCZTQSA-N 1 3 305.466 2.006 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCCCF)C1 ZINC001266567456 1082165030 /nfs/dbraw/zinc/16/50/30/1082165030.db2.gz FAXBJCSHVJAHIR-HOTGVXAUSA-N 1 3 313.461 2.191 20 0 DEADHO CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001266906190 1082445561 /nfs/dbraw/zinc/44/55/61/1082445561.db2.gz OHSLMRJWJITLOE-YTGMWSOZSA-N 1 3 321.509 2.486 20 0 DEADHO CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001266906190 1082445564 /nfs/dbraw/zinc/44/55/64/1082445564.db2.gz OHSLMRJWJITLOE-YTGMWSOZSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)C[C@@H]([NH3+])CC(=O)N(CCN(C)C)Cc1cccs1 ZINC001648989531 1082640422 /nfs/dbraw/zinc/64/04/22/1082640422.db2.gz BUQAPXNSWWRXQB-CQSZACIVSA-N 1 3 311.495 2.402 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CCC(F)(F)F ZINC001483099176 1082707793 /nfs/dbraw/zinc/70/77/93/1082707793.db2.gz WKLUSQNCWPBVEJ-ZFDPJTLLSA-N 1 3 321.387 2.075 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)CN2CC[C@H](C)C2)c(C)c1 ZINC001483166451 1082784636 /nfs/dbraw/zinc/78/46/36/1082784636.db2.gz IQYAQTCYDGYISW-DOTOQJQBSA-N 1 3 317.477 2.240 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)CCCF ZINC001409631245 1082993505 /nfs/dbraw/zinc/99/35/05/1082993505.db2.gz LKKKRGIJNFQTSZ-HUUCEWRRSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)CCCF ZINC001409631245 1082993509 /nfs/dbraw/zinc/99/35/09/1082993509.db2.gz LKKKRGIJNFQTSZ-HUUCEWRRSA-N 1 3 301.450 2.045 20 0 DEADHO CCOc1cccc(CN2CC3(C2)CCN(CC[NH+](C)C)C3)c1 ZINC001276395073 1083372781 /nfs/dbraw/zinc/37/27/81/1083372781.db2.gz UOUVUCCPNFLZOI-UHFFFAOYSA-N 1 3 317.477 2.155 20 0 DEADHO Cc1cccc(C(=O)N2CCC([NH2+]C[C@@H](C)CN(C)C)CC2)c1 ZINC001413155325 1083396379 /nfs/dbraw/zinc/39/63/79/1083396379.db2.gz IWUAQMHVAFTIDD-MRXNPFEDSA-N 1 3 317.477 2.387 20 0 DEADHO CC(C)(C(=O)N[C@H](C[NH2+]CCC1CC1)C1CC1)N1CCCC1 ZINC001276633544 1083525936 /nfs/dbraw/zinc/52/59/36/1083525936.db2.gz ILJOVKRHYCPYDV-MRXNPFEDSA-N 1 3 307.482 2.145 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C[NH2+]CCC1CCCC1)C1CC1 ZINC001276694962 1083550963 /nfs/dbraw/zinc/55/09/63/1083550963.db2.gz NHQBWRZHURYMCN-QGZVFWFLSA-N 1 3 318.465 2.325 20 0 DEADHO CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1-n1cncn1)C2 ZINC001276876092 1083658568 /nfs/dbraw/zinc/65/85/68/1083658568.db2.gz ORVSJOXUKLUGSN-GOSISDBHSA-N 1 3 311.433 2.185 20 0 DEADHO CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1-n1cncn1)C2 ZINC001276876092 1083658571 /nfs/dbraw/zinc/65/85/71/1083658571.db2.gz ORVSJOXUKLUGSN-GOSISDBHSA-N 1 3 311.433 2.185 20 0 DEADHO CCC/C=C/CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC001279208742 1083731298 /nfs/dbraw/zinc/73/12/98/1083731298.db2.gz IAYKHXPAJQJUFL-LQJDWPSLSA-N 1 3 307.482 2.406 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@H+](CC3CC3)CC[C@@H]21 ZINC001490984218 1083987506 /nfs/dbraw/zinc/98/75/06/1083987506.db2.gz RKGHMBPARMPGFQ-IRXDYDNUSA-N 1 3 307.482 2.051 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@@H+](CC3CC3)CC[C@@H]21 ZINC001490984218 1083987520 /nfs/dbraw/zinc/98/75/20/1083987520.db2.gz RKGHMBPARMPGFQ-IRXDYDNUSA-N 1 3 307.482 2.051 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001491025368 1084016573 /nfs/dbraw/zinc/01/65/73/1084016573.db2.gz FGUAADBVACQYBG-CALCHBBNSA-N 1 3 315.461 2.216 20 0 DEADHO CCC1([NH+](C)C)CCN(C(=O)c2cc3c(s2)CNCC3)CC1 ZINC001649043966 1084020738 /nfs/dbraw/zinc/02/07/38/1084020738.db2.gz GMNNUMWLQHLVMZ-UHFFFAOYSA-N 1 3 321.490 2.340 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CCCF)C1CC1 ZINC001277647601 1084075434 /nfs/dbraw/zinc/07/54/34/1084075434.db2.gz UAVTZZDWMKGUDN-JKSUJKDBSA-N 1 3 313.461 2.045 20 0 DEADHO CN(C(=O)CC[NH+](C)C)[C@@H](CNCC=C(Cl)Cl)C1CC1 ZINC001277692619 1084098210 /nfs/dbraw/zinc/09/82/10/1084098210.db2.gz DFMZYNLHOUCYAH-LBPRGKRZSA-N 1 3 322.280 2.084 20 0 DEADHO CCCCCCN(C)CC(=O)NCCC[NH2+]Cc1ccccn1 ZINC001168594887 1084112100 /nfs/dbraw/zinc/11/21/00/1084112100.db2.gz CWRNHCMPRNJAMD-UHFFFAOYSA-N 1 3 320.481 2.190 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC001491322059 1084234652 /nfs/dbraw/zinc/23/46/52/1084234652.db2.gz KFDDSPVARYAVPR-WBQZSSECSA-N 1 3 319.493 2.264 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC001491322059 1084234658 /nfs/dbraw/zinc/23/46/58/1084234658.db2.gz KFDDSPVARYAVPR-WBQZSSECSA-N 1 3 319.493 2.264 20 0 DEADHO CCSCCN1CCC[C@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC001277917297 1084279733 /nfs/dbraw/zinc/27/97/33/1084279733.db2.gz SLIUXXVCIXVOHJ-KRWDZBQOSA-N 1 3 322.522 2.424 20 0 DEADHO CCSCCN1CCC[C@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC001277917297 1084279739 /nfs/dbraw/zinc/27/97/39/1084279739.db2.gz SLIUXXVCIXVOHJ-KRWDZBQOSA-N 1 3 322.522 2.424 20 0 DEADHO C[C@H](Cc1ccc2c(c1)OCO2)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235029840 1084281697 /nfs/dbraw/zinc/28/16/97/1084281697.db2.gz AFIQMTIGQDZGOI-RDTXWAMCSA-N 1 3 302.418 2.279 20 0 DEADHO C[C@@H]1CNCC(F)(F)[C@@H]1CN1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001235218845 1084350049 /nfs/dbraw/zinc/35/00/49/1084350049.db2.gz PWTDBNRMKBCYTE-VJUNAUMWSA-N 1 3 321.415 2.048 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)cc2)C[C@@H]1C ZINC001486127930 1085093932 /nfs/dbraw/zinc/09/39/32/1085093932.db2.gz HUYDUZLOJWTORN-YOEHRIQHSA-N 1 3 321.440 2.247 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CC1)C(C)(C)C ZINC001486398705 1085262127 /nfs/dbraw/zinc/26/21/27/1085262127.db2.gz LQFJYRZZRGOPCJ-HOTGVXAUSA-N 1 3 309.498 2.391 20 0 DEADHO CC1CC(C[N@H+]2CC=C(CNC(=O)CN(C)C3CCC3)CC2)C1 ZINC001486510875 1085394366 /nfs/dbraw/zinc/39/43/66/1085394366.db2.gz TUNCTCGJIIDLFG-UHFFFAOYSA-N 1 3 319.493 2.265 20 0 DEADHO CC1CC(C[N@@H+]2CC=C(CNC(=O)CN(C)C3CCC3)CC2)C1 ZINC001486510875 1085394374 /nfs/dbraw/zinc/39/43/74/1085394374.db2.gz TUNCTCGJIIDLFG-UHFFFAOYSA-N 1 3 319.493 2.265 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCC1)N(C)C ZINC000960706939 1085420801 /nfs/dbraw/zinc/42/08/01/1085420801.db2.gz HIQFEDRDKPCRIH-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCC1)N(C)C ZINC000960706939 1085420806 /nfs/dbraw/zinc/42/08/06/1085420806.db2.gz HIQFEDRDKPCRIH-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[NH+]1CCC(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)CC1 ZINC001413030977 1085469163 /nfs/dbraw/zinc/46/91/63/1085469163.db2.gz PEUOYXSDVMLSCQ-MRXNPFEDSA-N 1 3 321.509 2.297 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1CC2(C1)CC([NH2+]CCC1CC1)C2 ZINC000965886839 1085675899 /nfs/dbraw/zinc/67/58/99/1085675899.db2.gz XFZJPLMGEQTOTB-UHFFFAOYSA-N 1 3 316.449 2.078 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961441011 1085733505 /nfs/dbraw/zinc/73/35/05/1085733505.db2.gz MJXIYKAKAKVFFO-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961441011 1085733516 /nfs/dbraw/zinc/73/35/16/1085733516.db2.gz MJXIYKAKAKVFFO-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO OC1(C[NH+]2CCCCC2)CCN(C[C@H]2CCC3(CCC3)O2)CC1 ZINC001413088873 1085915344 /nfs/dbraw/zinc/91/53/44/1085915344.db2.gz NEXMNEOJMXLVMQ-QGZVFWFLSA-N 1 3 322.493 2.401 20 0 DEADHO C[C@H](CC[NH2+]CCC1CCCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001273017608 1085972881 /nfs/dbraw/zinc/97/28/81/1085972881.db2.gz BXGUGLTZPMKLNU-HZPDHXFCSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@H](CC[NH2+]CC1CC(C)C1)NC(=O)CN(C)CC(C)(C)C ZINC001273017478 1085974830 /nfs/dbraw/zinc/97/48/30/1085974830.db2.gz BMUDQNPVCWVBNN-HWOWSKLDSA-N 1 3 311.514 2.495 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C(C)C)C[C@H]21 ZINC000962275059 1086046866 /nfs/dbraw/zinc/04/68/66/1086046866.db2.gz UZSOQYYKPNVJBU-VVLHAWIVSA-N 1 3 307.482 2.096 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C(C)C)C[C@H]21 ZINC000962275059 1086046877 /nfs/dbraw/zinc/04/68/77/1086046877.db2.gz UZSOQYYKPNVJBU-VVLHAWIVSA-N 1 3 307.482 2.096 20 0 DEADHO C[C@H]1CCCN1CC(=O)N(C)C1CCC([NH2+]CC2CC2)CC1 ZINC000963908331 1086594981 /nfs/dbraw/zinc/59/49/81/1086594981.db2.gz RGKSREHHRAJUTO-OOHWJJMZSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC001079849944 1088475295 /nfs/dbraw/zinc/47/52/95/1088475295.db2.gz CTTHOUPLVVVXJT-NXHRZFHOSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC001079849944 1088475305 /nfs/dbraw/zinc/47/53/05/1088475305.db2.gz CTTHOUPLVVVXJT-NXHRZFHOSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCCC3)C[C@H]21)N(C)C ZINC001114795219 1088529822 /nfs/dbraw/zinc/52/98/22/1088529822.db2.gz YLPUPYSDNXIBOY-VSZNYVQBSA-N 1 3 321.509 2.199 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCCC3)C[C@H]21)N(C)C ZINC001114795219 1088529836 /nfs/dbraw/zinc/52/98/36/1088529836.db2.gz YLPUPYSDNXIBOY-VSZNYVQBSA-N 1 3 321.509 2.199 20 0 DEADHO CCC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)CN3CCC[C@@H]3C)[C@@H]2C1 ZINC001114832224 1088929005 /nfs/dbraw/zinc/92/90/05/1088929005.db2.gz NMFOBGXWNOCARK-RADTVZSXSA-N 1 3 319.493 2.264 20 0 DEADHO CCC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)CN3CCC[C@@H]3C)[C@@H]2C1 ZINC001114832224 1088929011 /nfs/dbraw/zinc/92/90/11/1088929011.db2.gz NMFOBGXWNOCARK-RADTVZSXSA-N 1 3 319.493 2.264 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCC2)C1 ZINC001082507249 1089996518 /nfs/dbraw/zinc/99/65/18/1089996518.db2.gz IXWYCSDERJWFJV-DJIMGWMZSA-N 1 3 307.482 2.096 20 0 DEADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCC1CCCC1 ZINC001082559682 1090006053 /nfs/dbraw/zinc/00/60/53/1090006053.db2.gz MFERGXUHKIMRIS-OLMNPRSZSA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C)cc2)C1)N(C)C ZINC001082589156 1090012613 /nfs/dbraw/zinc/01/26/13/1090012613.db2.gz LRRPOYICHVBNTE-KBAYOESNSA-N 1 3 317.477 2.272 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2F)C1)N(C)C ZINC001082747482 1090054415 /nfs/dbraw/zinc/05/44/15/1090054415.db2.gz VTQMOIXZTWKTIL-XYPHTWIQSA-N 1 3 321.440 2.102 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001082742764 1090066146 /nfs/dbraw/zinc/06/61/46/1090066146.db2.gz QZSDIOFLRDYUNI-JFIYKMOQSA-N 1 3 321.509 2.345 20 0 DEADHO CCC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001082743335 1090066275 /nfs/dbraw/zinc/06/62/75/1090066275.db2.gz UMFARNGBDAZYNK-CPUCHLNUSA-N 1 3 313.461 2.045 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC3CCC3)C[C@H]2C1 ZINC001410185819 1090395417 /nfs/dbraw/zinc/39/54/17/1090395417.db2.gz NVIXNPQFVREUOF-KZNAEPCWSA-N 1 3 321.509 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC3CCC3)C[C@H]2C1 ZINC001410185819 1090395426 /nfs/dbraw/zinc/39/54/26/1090395426.db2.gz NVIXNPQFVREUOF-KZNAEPCWSA-N 1 3 321.509 2.345 20 0 DEADHO CN(CC(=O)N1CCC([N@H+](C)CCCF)CC1)CC(C)(C)C ZINC001410253811 1090475197 /nfs/dbraw/zinc/47/51/97/1090475197.db2.gz WZHFOIXYLJEWEM-UHFFFAOYSA-N 1 3 315.477 2.247 20 0 DEADHO CN(CC(=O)N1CCC([N@@H+](C)CCCF)CC1)CC(C)(C)C ZINC001410253811 1090475200 /nfs/dbraw/zinc/47/52/00/1090475200.db2.gz WZHFOIXYLJEWEM-UHFFFAOYSA-N 1 3 315.477 2.247 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]21 ZINC001085024851 1090598704 /nfs/dbraw/zinc/59/87/04/1090598704.db2.gz IKFCHJXXKJXGFF-FGTMMUONSA-N 1 3 321.509 2.462 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]21 ZINC001085024851 1090598708 /nfs/dbraw/zinc/59/87/08/1090598708.db2.gz IKFCHJXXKJXGFF-FGTMMUONSA-N 1 3 321.509 2.462 20 0 DEADHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]C/C=C/c1ccccc1 ZINC001274264300 1091157684 /nfs/dbraw/zinc/15/76/84/1091157684.db2.gz XTFAGTYTCMUYJR-ITMACSKSSA-N 1 3 313.445 2.056 20 0 DEADHO CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001274369094 1091211351 /nfs/dbraw/zinc/21/13/51/1091211351.db2.gz PFRNKXZEKSDGND-JFDDCEBESA-N 1 3 323.868 2.442 20 0 DEADHO CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C)cc1 ZINC001274965028 1091490173 /nfs/dbraw/zinc/49/01/73/1091490173.db2.gz JTAMOYGPCKSWCJ-ROUUACIJSA-N 1 3 315.461 2.447 20 0 DEADHO Cc1n[nH]cc1C[NH2+][C@@]12CC[C@@](NCc3cn[nH]c3)(C1)CCC2 ZINC001276067759 1091505103 /nfs/dbraw/zinc/50/51/03/1091505103.db2.gz IAOVWYATOZBZCY-SJORKVTESA-N 1 3 314.437 2.166 20 0 DEADHO Cc1n[nH]cc1CN[C@@]12CC[C@@]([NH2+]Cc3cn[nH]c3)(C1)CCC2 ZINC001276067759 1091505109 /nfs/dbraw/zinc/50/51/09/1091505109.db2.gz IAOVWYATOZBZCY-SJORKVTESA-N 1 3 314.437 2.166 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC2(CCCN(CC(=O)N(C)C)C2)CC1 ZINC001275061533 1091536271 /nfs/dbraw/zinc/53/62/71/1091536271.db2.gz IHXPPXISNYUSRD-MRXNPFEDSA-N 1 3 309.498 2.299 20 0 DEADHO CN(CCN1CCC2(CC[N@H+](C)C2)CC1)C(=O)OC(C)(C)C ZINC001275195312 1091611504 /nfs/dbraw/zinc/61/15/04/1091611504.db2.gz ZHJHCNLWRJQCDF-UHFFFAOYSA-N 1 3 311.470 2.271 20 0 DEADHO CN(CCN1CCC2(CC[N@@H+](C)C2)CC1)C(=O)OC(C)(C)C ZINC001275195312 1091611510 /nfs/dbraw/zinc/61/15/10/1091611510.db2.gz ZHJHCNLWRJQCDF-UHFFFAOYSA-N 1 3 311.470 2.271 20 0 DEADHO CN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC001412675058 1091665461 /nfs/dbraw/zinc/66/54/61/1091665461.db2.gz IMSWTSBSMNGTTA-GDBMZVCRSA-N 1 3 307.482 2.097 20 0 DEADHO CN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC001412675058 1091665462 /nfs/dbraw/zinc/66/54/62/1091665462.db2.gz IMSWTSBSMNGTTA-GDBMZVCRSA-N 1 3 307.482 2.097 20 0 DEADHO C[NH+](C)C1CCC(NCc2cc(Br)no2)CC1 ZINC000718868606 1091719237 /nfs/dbraw/zinc/71/92/37/1091719237.db2.gz YXLGZBCRNCETLC-UHFFFAOYSA-N 1 3 302.216 2.400 20 0 DEADHO C[NH+]1C(C)(C)CC(N2CCNC[C@@H]2C(F)(F)F)CC1(C)C ZINC001246989759 1091762484 /nfs/dbraw/zinc/76/24/84/1091762484.db2.gz LVCXDNYRWQKYMM-GFCCVEGCSA-N 1 3 307.404 2.474 20 0 DEADHO CN(C)CCN1CCC2(CC[NH+](CC3CCCCC3)CC2)C1=O ZINC001273509833 1091891184 /nfs/dbraw/zinc/89/11/84/1091891184.db2.gz XVGOLFAILOPMMU-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)[C@@H]2CCC[N@H+](CCC3CC3)CC2)C1 ZINC000948767655 1091926077 /nfs/dbraw/zinc/92/60/77/1091926077.db2.gz YLVYWELIBDKCNC-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)[C@@H]2CCC[N@@H+](CCC3CC3)CC2)C1 ZINC000948767655 1091926083 /nfs/dbraw/zinc/92/60/83/1091926083.db2.gz YLVYWELIBDKCNC-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C(=O)Cc1c[nH]cn1)[C@@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000948813185 1091949872 /nfs/dbraw/zinc/94/98/72/1091949872.db2.gz WDPUJIKMUPJDMM-MRXNPFEDSA-N 1 3 304.438 2.065 20 0 DEADHO CN(C(=O)Cc1c[nH]cn1)[C@@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000948813185 1091949881 /nfs/dbraw/zinc/94/98/81/1091949881.db2.gz WDPUJIKMUPJDMM-MRXNPFEDSA-N 1 3 304.438 2.065 20 0 DEADHO C[C@H](F)CC[N@@H+]1CCC[C@H](N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000948813189 1091952058 /nfs/dbraw/zinc/95/20/58/1091952058.db2.gz WEBQUQPDIKJMPP-ZFWWWQNUSA-N 1 3 310.417 2.013 20 0 DEADHO C[C@H](F)CC[N@H+]1CCC[C@H](N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000948813189 1091952068 /nfs/dbraw/zinc/95/20/68/1091952068.db2.gz WEBQUQPDIKJMPP-ZFWWWQNUSA-N 1 3 310.417 2.013 20 0 DEADHO CCN(CC[NH2+]CC[C@@H](C)F)C(=O)[C@H]1CCCCN1C(C)C ZINC001273646015 1091970867 /nfs/dbraw/zinc/97/08/67/1091970867.db2.gz QLEKWGUPSQPHST-HZPDHXFCSA-N 1 3 315.477 2.436 20 0 DEADHO CN(CC(=O)N(C)CC(C)(C)C[NH2+]CCF)CC(C)(C)C ZINC001275709207 1092026206 /nfs/dbraw/zinc/02/62/06/1092026206.db2.gz CTVBZHRQFVOCKU-UHFFFAOYSA-N 1 3 303.466 2.008 20 0 DEADHO CCc1ccc(CN2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)cc1 ZINC001275916770 1092303883 /nfs/dbraw/zinc/30/38/83/1092303883.db2.gz OKNKZOIRLSZLQF-KDURUIRLSA-N 1 3 301.478 2.459 20 0 DEADHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCC1=CCCCC1 ZINC001273911505 1092499655 /nfs/dbraw/zinc/49/96/55/1092499655.db2.gz UDJOFMJWDWBDHS-KEGWNNHHSA-N 1 3 305.466 2.233 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC=C(Cl)Cl)C1 ZINC001488791977 1092772521 /nfs/dbraw/zinc/77/25/21/1092772521.db2.gz DRDPHCGQSYQRFH-TXEJJXNPSA-N 1 3 322.280 2.132 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CC23CC[NH+](CCC2CC2)CC3)CCC1 ZINC001490594429 1093435652 /nfs/dbraw/zinc/43/56/52/1093435652.db2.gz DVMLQLPITDTKBC-MRXNPFEDSA-N 1 3 319.493 2.242 20 0 DEADHO C[C@H](F)CC[NH2+]C[C@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001671747471 1093864311 /nfs/dbraw/zinc/86/43/11/1093864311.db2.gz INTCNZSRTGOWGG-HOCLYGCPSA-N 1 3 313.461 2.047 20 0 DEADHO CCCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001420882663 1171316907 /nfs/dbraw/zinc/31/69/07/1171316907.db2.gz AVUSUCMRRUICGN-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO CCCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001420882663 1171316915 /nfs/dbraw/zinc/31/69/15/1171316915.db2.gz AVUSUCMRRUICGN-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO [NH3+][C@H](Cc1ccccc1)CN1CC[C@@H](N2CCCCC2)[C@@H](F)C1 ZINC001237454731 1138637637 /nfs/dbraw/zinc/63/76/37/1138637637.db2.gz JVEREYFDXOMTAT-CEXWTWQISA-N 1 3 319.468 2.455 20 0 DEADHO CCOC(=O)Cc1ccc(C[NH+]2CCC(N3CCC3)CC2)cc1 ZINC001237476649 1138650416 /nfs/dbraw/zinc/65/04/16/1138650416.db2.gz BRQQIQCDRZLWDB-UHFFFAOYSA-N 1 3 316.445 2.462 20 0 DEADHO NCCC[NH2+]CCCNC(=O)Nc1c(Cl)cccc1Cl ZINC001239252195 1139004234 /nfs/dbraw/zinc/00/42/34/1139004234.db2.gz AMYFFSGNGMWQNX-UHFFFAOYSA-N 1 3 319.236 2.443 20 0 DEADHO CC(C)N1CCN(c2ccc(C3=CCC[N@H+](C)C3)cn2)CC1 ZINC001241570233 1139828385 /nfs/dbraw/zinc/82/83/85/1139828385.db2.gz YNDFHOVUNUHMJO-UHFFFAOYSA-N 1 3 300.450 2.331 20 0 DEADHO CC(C)N1CCN(c2ccc(C3=CCC[N@@H+](C)C3)cn2)CC1 ZINC001241570233 1139828388 /nfs/dbraw/zinc/82/83/88/1139828388.db2.gz YNDFHOVUNUHMJO-UHFFFAOYSA-N 1 3 300.450 2.331 20 0 DEADHO CN(C)Cc1ccc(-c2ccc(CN3CC[NH2+]CC3)cc2)nc1 ZINC001241977019 1139867740 /nfs/dbraw/zinc/86/77/40/1139867740.db2.gz JTXFSJGWWXELAJ-UHFFFAOYSA-N 1 3 310.445 2.215 20 0 DEADHO CC(C)CC[NH2+][C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001491580066 1140174034 /nfs/dbraw/zinc/17/40/34/1140174034.db2.gz QBDPLRAYEQDULQ-RHSMWYFYSA-N 1 3 315.477 2.339 20 0 DEADHO CC(C)CC[NH2+][C@@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001491580069 1140174200 /nfs/dbraw/zinc/17/42/00/1140174200.db2.gz QBDPLRAYEQDULQ-YOEHRIQHSA-N 1 3 315.477 2.339 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@H]1CC[NH2+]CCC1CC1)N(C)C ZINC001319779446 1140713665 /nfs/dbraw/zinc/71/36/65/1140713665.db2.gz UBHDPXGDBKIXCE-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]1C[N@H+](C[C@@]2(O)CCCNC2)CCc2ccc(Cl)cc21 ZINC001246050512 1140853731 /nfs/dbraw/zinc/85/37/31/1140853731.db2.gz XQIBFNGGXWZFND-SUMWQHHRSA-N 1 3 308.853 2.416 20 0 DEADHO C[C@H]1C[N@@H+](C[C@@]2(O)CCCNC2)CCc2ccc(Cl)cc21 ZINC001246050512 1140853735 /nfs/dbraw/zinc/85/37/35/1140853735.db2.gz XQIBFNGGXWZFND-SUMWQHHRSA-N 1 3 308.853 2.416 20 0 DEADHO NC1(C[NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)CCCC1 ZINC001246077573 1140857807 /nfs/dbraw/zinc/85/78/07/1140857807.db2.gz XDXSMAKBLFZOLS-INIZCTEOSA-N 1 3 301.434 2.152 20 0 DEADHO CCC[C@H](CCc1ccccc1)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246085316 1140858945 /nfs/dbraw/zinc/85/89/45/1140858945.db2.gz WMDDMDAYDWHWOG-FGTMMUONSA-N 1 3 308.441 2.440 20 0 DEADHO O[C@]1(CN[C@@H]2CCc3c(Cl)cccc3C2)CCCC[NH2+]C1 ZINC001246094909 1140860111 /nfs/dbraw/zinc/86/01/11/1140860111.db2.gz GWLRUVFLCSJNHU-RHSMWYFYSA-N 1 3 308.853 2.292 20 0 DEADHO O[C@]1(C[NH2+][C@@H]2CCc3c(Cl)cccc3C2)CCCCNC1 ZINC001246094909 1140860112 /nfs/dbraw/zinc/86/01/12/1140860112.db2.gz GWLRUVFLCSJNHU-RHSMWYFYSA-N 1 3 308.853 2.292 20 0 DEADHO Cc1cc(F)ccc1[C@@H]1C[C@H](N[C@H]2CCNC[C@H]2F)CC[NH2+]1 ZINC001246091946 1140860216 /nfs/dbraw/zinc/86/02/16/1140860216.db2.gz HWHIFQVVOPIENA-SIXLDLHFSA-N 1 3 309.404 2.217 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@@H]1CN[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001246111992 1140862439 /nfs/dbraw/zinc/86/24/39/1140862439.db2.gz PWMWFXSHWWPVQT-JQHSSLGASA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H]1CC[C@@H](CNC2CCN(Cc3ccncc3)CC2)[NH2+]C1 ZINC001246117029 1140863135 /nfs/dbraw/zinc/86/31/35/1140863135.db2.gz YXESDCLGZZXWSG-YJBOKZPZSA-N 1 3 302.466 2.024 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001320464951 1140869042 /nfs/dbraw/zinc/86/90/42/1140869042.db2.gz WFLRTPFZOHSURU-WMLDXEAASA-N 1 3 323.456 2.459 20 0 DEADHO Cc1cc(F)ccc1[C@H]1C[C@H](N[C@@H]2CCNC[C@H]2F)CC[NH2+]1 ZINC001246216706 1140874624 /nfs/dbraw/zinc/87/46/24/1140874624.db2.gz HWHIFQVVOPIENA-MWQQHZPXSA-N 1 3 309.404 2.217 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CC2(Cc3cccnc3)CCOCC2)CCN1 ZINC001246376325 1140890369 /nfs/dbraw/zinc/89/03/69/1140890369.db2.gz UIGLZQABKPTIDW-RDJZCZTQSA-N 1 3 303.450 2.151 20 0 DEADHO CCN(CC[NH2+]Cc1cc(C)ccc1C)C(=O)[C@H]1CCCN1C ZINC001320694096 1140895516 /nfs/dbraw/zinc/89/55/16/1140895516.db2.gz BBQVLCRJMAGEEU-GOSISDBHSA-N 1 3 317.477 2.336 20 0 DEADHO CC(C)(C)[C@H]1C[C@@H](NC[C@@H]2Cc3ccccc3CN2)CC[NH2+]1 ZINC001246505630 1140927822 /nfs/dbraw/zinc/92/78/22/1140927822.db2.gz NRQCNQXGODHRDN-OKZBNKHCSA-N 1 3 301.478 2.457 20 0 DEADHO COC(=O)c1ccc(C[C@@H](C)[N@@H+]2CCCC[C@H](CN)C2)cc1 ZINC001246579586 1140981094 /nfs/dbraw/zinc/98/10/94/1140981094.db2.gz CGZNTUUCQXVVIA-GDBMZVCRSA-N 1 3 304.434 2.465 20 0 DEADHO COC(=O)c1ccc(C[C@@H](C)[N@H+]2CCCC[C@H](CN)C2)cc1 ZINC001246579586 1140981103 /nfs/dbraw/zinc/98/11/03/1140981103.db2.gz CGZNTUUCQXVVIA-GDBMZVCRSA-N 1 3 304.434 2.465 20 0 DEADHO NC[C@H]1C[N@@H+](C2CCC3(CCc4ccccc43)CC2)C[C@@H]1O ZINC001246583737 1140987676 /nfs/dbraw/zinc/98/76/76/1140987676.db2.gz KBYAWUULCYMTQP-YQBZFSLMSA-N 1 3 300.446 2.065 20 0 DEADHO NC[C@H]1C[N@H+](C2CCC3(CCc4ccccc43)CC2)C[C@@H]1O ZINC001246583737 1140987686 /nfs/dbraw/zinc/98/76/86/1140987686.db2.gz KBYAWUULCYMTQP-YQBZFSLMSA-N 1 3 300.446 2.065 20 0 DEADHO CCN(CC[NH2+]Cc1ccc(C)c(F)c1)C(=O)CN(C)C(C)C ZINC001320930232 1140995061 /nfs/dbraw/zinc/99/50/61/1140995061.db2.gz XLKREJVUABYPPW-UHFFFAOYSA-N 1 3 323.456 2.412 20 0 DEADHO CCC[C@H](C)CC[C@@H](C)[N@@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246624885 1141008908 /nfs/dbraw/zinc/00/89/08/1141008908.db2.gz GNLYPHSOFSUIGA-DAYGRLMNSA-N 1 3 307.482 2.003 20 0 DEADHO CCC[C@H](C)CC[C@@H](C)[N@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246624885 1141008916 /nfs/dbraw/zinc/00/89/16/1141008916.db2.gz GNLYPHSOFSUIGA-DAYGRLMNSA-N 1 3 307.482 2.003 20 0 DEADHO CCCC[C@@H](CC(C)C)[N@@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246630611 1141012679 /nfs/dbraw/zinc/01/26/79/1141012679.db2.gz UBMYZVQVTPTBQC-YJBOKZPZSA-N 1 3 307.482 2.003 20 0 DEADHO CCCC[C@@H](CC(C)C)[N@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246630611 1141012691 /nfs/dbraw/zinc/01/26/91/1141012691.db2.gz UBMYZVQVTPTBQC-YJBOKZPZSA-N 1 3 307.482 2.003 20 0 DEADHO C[C@H](Cc1ccc(F)cc1)N1CCNC[C@@]2(CCCC[NH2+]2)C1 ZINC001246633237 1141015346 /nfs/dbraw/zinc/01/53/46/1141015346.db2.gz NETSAXHMENGMBR-QAPCUYQASA-N 1 3 305.441 2.174 20 0 DEADHO O=C(NC1CCC1)[C@@H]1CC12CCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001246738800 1141049129 /nfs/dbraw/zinc/04/91/29/1141049129.db2.gz GSLGUEUQPIPDPO-WFVVYAPDSA-N 1 3 317.477 2.040 20 0 DEADHO CCOC(=O)[C@]12CCC[C@@H]1C[C@H]([NH2+][C@@H]1CC[C@H]3CN(C)C[C@@H]31)C2 ZINC001474757224 1141202990 /nfs/dbraw/zinc/20/29/90/1141202990.db2.gz SDPQGENNUUQLIT-LIKKTTQLSA-N 1 3 320.477 2.428 20 0 DEADHO COC(=O)[C@H]1CN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1c1ccccc1 ZINC001246983743 1141213614 /nfs/dbraw/zinc/21/36/14/1141213614.db2.gz IJXVBPCGVVCGOH-CIQAELJKSA-N 1 3 314.429 2.158 20 0 DEADHO CC(C)=CC[NH2+]C[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001321653253 1141323128 /nfs/dbraw/zinc/32/31/28/1141323128.db2.gz YZBJHKFTYVNTAY-RHSMWYFYSA-N 1 3 313.461 2.259 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C[NH2+]CCC(F)(F)F)C1CC1)N(C)C ZINC001323061677 1141807375 /nfs/dbraw/zinc/80/73/75/1141807375.db2.gz DCXYJERBOLODMH-QWHCGFSZSA-N 1 3 323.403 2.009 20 0 DEADHO COc1cccc(CC(C)(C)NC[C@H](O)C[NH2+]C(C)(C)C)c1 ZINC001253411572 1142870477 /nfs/dbraw/zinc/87/04/77/1142870477.db2.gz PGTNYPWWKFDFKO-OAHLLOKOSA-N 1 3 308.466 2.355 20 0 DEADHO Cc1ccnc(O[C@H]2CCC[N@@H+]([C@H]3CCCN(C)CC3)C2)n1 ZINC001254530688 1143227881 /nfs/dbraw/zinc/22/78/81/1143227881.db2.gz AUWRRQNXKUKDFK-HOTGVXAUSA-N 1 3 304.438 2.113 20 0 DEADHO Cc1ccnc(O[C@H]2CCC[N@H+]([C@H]3CCCN(C)CC3)C2)n1 ZINC001254530688 1143227904 /nfs/dbraw/zinc/22/79/04/1143227904.db2.gz AUWRRQNXKUKDFK-HOTGVXAUSA-N 1 3 304.438 2.113 20 0 DEADHO CC[NH+](CC)CCCCNC(=O)c1cccc2c1OCCNC2 ZINC001340166589 1143284771 /nfs/dbraw/zinc/28/47/71/1143284771.db2.gz BXLFCBQGPNJKBG-UHFFFAOYSA-N 1 3 319.449 2.020 20 0 DEADHO CNC(=O)CCN(C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255142494 1143444862 /nfs/dbraw/zinc/44/48/62/1143444862.db2.gz DDMXODCCFRULST-BCDXTJNWSA-N 1 3 315.461 2.250 20 0 DEADHO CNC(=O)CCN(C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255142494 1143444875 /nfs/dbraw/zinc/44/48/75/1143444875.db2.gz DDMXODCCFRULST-BCDXTJNWSA-N 1 3 315.461 2.250 20 0 DEADHO CC(C)CN(C(=O)CCSCCC[NH3+])C1CCN(C)CC1 ZINC001341813640 1143717133 /nfs/dbraw/zinc/71/71/33/1143717133.db2.gz JCABRZPYVBDFQJ-UHFFFAOYSA-N 1 3 315.527 2.037 20 0 DEADHO COC[C@@H](C)[NH+]1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC001255574530 1143762671 /nfs/dbraw/zinc/76/26/71/1143762671.db2.gz SJDFOXFRHOSHEI-MRXNPFEDSA-N 1 3 303.450 2.404 20 0 DEADHO CCN(C(=O)C[C@H](N)c1cc(C)nc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC001342173825 1143800892 /nfs/dbraw/zinc/80/08/92/1143800892.db2.gz NQOTZGZHOLOYFU-KGLIPLIRSA-N 1 3 324.856 2.034 20 0 DEADHO C[NH+](C)C[C@@]12C[C@@H]1CN([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001255918232 1143814858 /nfs/dbraw/zinc/81/48/58/1143814858.db2.gz SRXSGQHKJZVOTN-IIDMSEBBSA-N 1 3 323.481 2.269 20 0 DEADHO CC[NH+](CC)CC[C@@H](C)NCCC(=O)NCc1ccccc1 ZINC001255945457 1143815848 /nfs/dbraw/zinc/81/58/48/1143815848.db2.gz GFVAFRVDXDIJJX-MRXNPFEDSA-N 1 3 305.466 2.403 20 0 DEADHO CC[NH+](CC)CC[C@@H](C)N[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001255950736 1143816326 /nfs/dbraw/zinc/81/63/26/1143816326.db2.gz KKYAGTHGKUVUCD-OLZOCXBDSA-N 1 3 323.403 2.250 20 0 DEADHO Cn1cnnc1C1CC[NH+](C2CCN(C(C)(C)C)CC2)CC1 ZINC001256575246 1143854850 /nfs/dbraw/zinc/85/48/50/1143854850.db2.gz JNWWBEGFGSYHLE-UHFFFAOYSA-N 1 3 305.470 2.257 20 0 DEADHO CN1C(=O)CCC12CC[NH+](C1CCN(C(C)(C)C)CC1)CC2 ZINC001256577158 1143854890 /nfs/dbraw/zinc/85/48/90/1143854890.db2.gz DIFGZQHLFDDQCR-UHFFFAOYSA-N 1 3 307.482 2.336 20 0 DEADHO c1cc(CN2CCC(N3CC[N@@H+]4CCCC[C@@H]4C3)CC2)ccn1 ZINC001256590760 1143856071 /nfs/dbraw/zinc/85/60/71/1143856071.db2.gz MLEQLOOHGGGRMA-LJQANCHMSA-N 1 3 314.477 2.216 20 0 DEADHO c1cc(CN2CCC(N3CC[N@H+]4CCCC[C@@H]4C3)CC2)ccn1 ZINC001256590760 1143856072 /nfs/dbraw/zinc/85/60/72/1143856072.db2.gz MLEQLOOHGGGRMA-LJQANCHMSA-N 1 3 314.477 2.216 20 0 DEADHO COc1cccc(C[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256676282 1143861484 /nfs/dbraw/zinc/86/14/84/1143861484.db2.gz PJSZPKFYXUIWRN-UHFFFAOYSA-N 1 3 304.434 2.428 20 0 DEADHO O[C@H](C[NH2+]C1CCC(N2CCOCC2)CC1)c1ccccc1F ZINC001256682739 1143861800 /nfs/dbraw/zinc/86/18/00/1143861800.db2.gz OKHNUVONRJRCKR-JTTJXQCZSA-N 1 3 322.424 2.092 20 0 DEADHO c1cn(C2CCC(N3CCOCC3)CC2)c([C@H]2CCC[NH2+]C2)n1 ZINC001256696354 1143863039 /nfs/dbraw/zinc/86/30/39/1143863039.db2.gz AKJHAMFLFSRSNN-GTPINHCMSA-N 1 3 318.465 2.166 20 0 DEADHO C[C@H]1CC([NH2+]C2CCN(CC3CCOCC3)CC2)C[C@H](C)O1 ZINC001257083696 1143886249 /nfs/dbraw/zinc/88/62/49/1143886249.db2.gz JRWOOWBCXIAPQS-GJZGRUSLSA-N 1 3 310.482 2.423 20 0 DEADHO CC(C)[C@H]1C[C@H](NC2(C[NH3+])CC2)CCN1C(=O)OC(C)(C)C ZINC001257188773 1143892113 /nfs/dbraw/zinc/89/21/13/1143892113.db2.gz XJISHZHQFYMWNK-ZIAGYGMSSA-N 1 3 311.470 2.491 20 0 DEADHO CCC[C@H](CC)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001257263507 1143895877 /nfs/dbraw/zinc/89/58/77/1143895877.db2.gz SDLDNOHZXDANPA-QZWWFDLISA-N 1 3 305.470 2.251 20 0 DEADHO CCC[C@H](CC)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001257263507 1143895878 /nfs/dbraw/zinc/89/58/78/1143895878.db2.gz SDLDNOHZXDANPA-QZWWFDLISA-N 1 3 305.470 2.251 20 0 DEADHO C[C@H](Cc1cccnc1)N[C@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001258617559 1144025975 /nfs/dbraw/zinc/02/59/75/1144025975.db2.gz SMCQLGOGPYNSBB-HIFRSBDPSA-N 1 3 322.453 2.192 20 0 DEADHO CCC[NH+]1CCC(N2CCC3(C[C@@H]3C(=O)N(C)C)CC2)CC1 ZINC001258774838 1144040650 /nfs/dbraw/zinc/04/06/50/1144040650.db2.gz QIYXPAMNCWQKBC-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001265609757 1144717660 /nfs/dbraw/zinc/71/76/60/1144717660.db2.gz XATDXDVQQKQOFT-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO C[N@H+](CCCNC(=O)C(C)(C)N1CCCCC1)CCC1CC1 ZINC001265845371 1144746719 /nfs/dbraw/zinc/74/67/19/1144746719.db2.gz LQZMYRCWJQYJBC-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO C[N@@H+](CCCNC(=O)C(C)(C)N1CCCCC1)CCC1CC1 ZINC001265845371 1144746720 /nfs/dbraw/zinc/74/67/20/1144746720.db2.gz LQZMYRCWJQYJBC-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]CCCC2CCC2)C1 ZINC001266041457 1144798457 /nfs/dbraw/zinc/79/84/57/1144798457.db2.gz VVVHTISOVFEXHF-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@H](CC[NH2+]CC2CCCCC2)C1 ZINC001280207206 1144833629 /nfs/dbraw/zinc/83/36/29/1144833629.db2.gz HBWJGWPOQLRNOX-INIZCTEOSA-N 1 3 318.465 2.361 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC001364205752 1145076791 /nfs/dbraw/zinc/07/67/91/1145076791.db2.gz UZGYOYSRYOEVCX-ARFHVFGLSA-N 1 3 310.486 2.033 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC001364205752 1145076795 /nfs/dbraw/zinc/07/67/95/1145076795.db2.gz UZGYOYSRYOEVCX-ARFHVFGLSA-N 1 3 310.486 2.033 20 0 DEADHO CN(C)CC[C@H]([NH2+]Cc1ccc(C(=O)N(C)C)[nH]1)C(C)(C)C ZINC001364595037 1145367923 /nfs/dbraw/zinc/36/79/23/1145367923.db2.gz MJJQHUKZHQGBJR-HNNXBMFYSA-N 1 3 308.470 2.173 20 0 DEADHO CN(C)CC[C@@H]([NH2+]Cc1ccc(C(=O)N(C)C)[nH]1)C(C)(C)C ZINC001364595041 1145368088 /nfs/dbraw/zinc/36/80/88/1145368088.db2.gz MJJQHUKZHQGBJR-OAHLLOKOSA-N 1 3 308.470 2.173 20 0 DEADHO C[C@H](CC[NH2+]C1CC2(C[C@H]2NC(=O)OC(C)(C)C)C1)N(C)C ZINC001364988192 1145735443 /nfs/dbraw/zinc/73/54/43/1145735443.db2.gz WHWSWZAIZPRHEZ-SMOJQAGNSA-N 1 3 311.470 2.362 20 0 DEADHO CCN(C)C[C@H](O)C[N@@H+]1CCC[C@@H](c2cncn2C(C)(C)C)C1 ZINC001365349631 1145854841 /nfs/dbraw/zinc/85/48/41/1145854841.db2.gz BPVDCXGKZJQVTI-CVEARBPZSA-N 1 3 322.497 2.130 20 0 DEADHO CCN(C)C[C@H](O)C[N@H+]1CCC[C@@H](c2cncn2C(C)(C)C)C1 ZINC001365349631 1145854842 /nfs/dbraw/zinc/85/48/42/1145854842.db2.gz BPVDCXGKZJQVTI-CVEARBPZSA-N 1 3 322.497 2.130 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]([NH2+]CCC(C)(C)C)C1CC1)N(C)C ZINC001366053325 1147028843 /nfs/dbraw/zinc/02/88/43/1147028843.db2.gz BAVQQDSWKUWQGM-JKSUJKDBSA-N 1 3 311.514 2.493 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2C)C1 ZINC001366103641 1147055749 /nfs/dbraw/zinc/05/57/49/1147055749.db2.gz UPSWJXVGYKERIQ-KRWDZBQOSA-N 1 3 321.440 2.166 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCC(C)CC3)C[C@H]21)N(C)C ZINC001366236743 1147145847 /nfs/dbraw/zinc/14/58/47/1147145847.db2.gz JASCHATVKQQEEQ-IYCYBWODSA-N 1 3 321.509 2.199 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCC(C)CC3)C[C@H]21)N(C)C ZINC001366236743 1147145848 /nfs/dbraw/zinc/14/58/48/1147145848.db2.gz JASCHATVKQQEEQ-IYCYBWODSA-N 1 3 321.509 2.199 20 0 DEADHO CCc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001366322011 1147213341 /nfs/dbraw/zinc/21/33/41/1147213341.db2.gz JNZZXOLCALSDII-MAUKXSAKSA-N 1 3 319.493 2.430 20 0 DEADHO C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)NC/C=C/Cl ZINC001366343958 1147224955 /nfs/dbraw/zinc/22/49/55/1147224955.db2.gz JYPBWUTYJIAKBY-QGQQYVBWSA-N 1 3 309.841 2.209 20 0 DEADHO Cc1ccccc1CN(C)CCNC(=O)CCC[NH+]1CCCC1 ZINC001366598518 1147382745 /nfs/dbraw/zinc/38/27/45/1147382745.db2.gz WDUCHGDTSVEYDZ-UHFFFAOYSA-N 1 3 317.477 2.419 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CC1 ZINC001366762394 1147548279 /nfs/dbraw/zinc/54/82/79/1147548279.db2.gz SPGCSBRTNHCDQY-ZACQAIPSSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CC1 ZINC001366762394 1147548286 /nfs/dbraw/zinc/54/82/86/1147548286.db2.gz SPGCSBRTNHCDQY-ZACQAIPSSA-N 1 3 321.509 2.343 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[N@@H+](C)CC1CCCCC1 ZINC001316865019 1147617242 /nfs/dbraw/zinc/61/72/42/1147617242.db2.gz PUEANADFWXIIES-UHFFFAOYSA-N 1 3 306.454 2.279 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[N@H+](C)CC1CCCCC1 ZINC001316865019 1147617243 /nfs/dbraw/zinc/61/72/43/1147617243.db2.gz PUEANADFWXIIES-UHFFFAOYSA-N 1 3 306.454 2.279 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@](C)(C[NH2+]CC1CC(C)C1)C1CC1 ZINC001367223534 1147666073 /nfs/dbraw/zinc/66/60/73/1147666073.db2.gz BSHSSIVQFMZVEQ-OOKWDQIISA-N 1 3 318.465 2.181 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CCC2CC2)C1 ZINC001317169317 1147669634 /nfs/dbraw/zinc/66/96/34/1147669634.db2.gz ZBYUOSMYOSHFSJ-QZTJIDSGSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)CCC[NH+]1CC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001367334267 1147679641 /nfs/dbraw/zinc/67/96/41/1147679641.db2.gz MFAIYPMPRJQSOI-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1)N(C)C ZINC001367400028 1147689239 /nfs/dbraw/zinc/68/92/39/1147689239.db2.gz LLLGLWAWHDORHD-DOTOQJQBSA-N 1 3 305.466 2.209 20 0 DEADHO Cc1ccccc1C[N@@H+](C)CCN(C)C(=O)CN(C)C1CCC1 ZINC001367516700 1147707011 /nfs/dbraw/zinc/70/70/11/1147707011.db2.gz SDMBVNLTEYKPHS-UHFFFAOYSA-N 1 3 317.477 2.370 20 0 DEADHO Cc1ccccc1C[N@H+](C)CCN(C)C(=O)CN(C)C1CCC1 ZINC001367516700 1147707012 /nfs/dbraw/zinc/70/70/12/1147707012.db2.gz SDMBVNLTEYKPHS-UHFFFAOYSA-N 1 3 317.477 2.370 20 0 DEADHO CC(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001367832164 1147755512 /nfs/dbraw/zinc/75/55/12/1147755512.db2.gz KGMGWOHZOYKQFL-PBHICJAKSA-N 1 3 315.477 2.291 20 0 DEADHO CC(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001367832164 1147755514 /nfs/dbraw/zinc/75/55/14/1147755514.db2.gz KGMGWOHZOYKQFL-PBHICJAKSA-N 1 3 315.477 2.291 20 0 DEADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCCN(CCCCCF)C2)CC1 ZINC001317943181 1147762297 /nfs/dbraw/zinc/76/22/97/1147762297.db2.gz DAVPXPPKQARTRT-OAHLLOKOSA-N 1 3 313.461 2.049 20 0 DEADHO Cc1ccccc1C[N@@H+](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001367861526 1147763013 /nfs/dbraw/zinc/76/30/13/1147763013.db2.gz MFYYUYWQWVVDRR-INIZCTEOSA-N 1 3 305.466 2.272 20 0 DEADHO Cc1ccccc1C[N@H+](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001367861526 1147763015 /nfs/dbraw/zinc/76/30/15/1147763015.db2.gz MFYYUYWQWVVDRR-INIZCTEOSA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1csc(C)c1)C1CC1)N(C)C ZINC001367900334 1147767597 /nfs/dbraw/zinc/76/75/97/1147767597.db2.gz KWHSWASSYCEERC-CVEARBPZSA-N 1 3 323.506 2.381 20 0 DEADHO CC(C)CCN1CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001367974584 1147811979 /nfs/dbraw/zinc/81/19/79/1147811979.db2.gz FGVWWONBGTUBHL-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@](C)(C[NH2+]CC3CCCC3)C2)C1 ZINC001368201991 1148322263 /nfs/dbraw/zinc/32/22/63/1148322263.db2.gz ZVPSBJRPWRBARE-LPHOPBHVSA-N 1 3 321.509 2.347 20 0 DEADHO C[NH+](C)CCCOc1cnccc1CN[C@H]1CCCOCC1 ZINC000343919319 282087896 /nfs/dbraw/zinc/08/78/96/282087896.db2.gz CFBOKZYTHYIWLA-INIZCTEOSA-N 1 3 307.438 2.071 20 0 DEADHO CN(C)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000106786104 282147319 /nfs/dbraw/zinc/14/73/19/282147319.db2.gz LEJYEJOHUKHLPM-QGZVFWFLSA-N 1 3 315.461 2.495 20 0 DEADHO CN(C)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000106786104 282147320 /nfs/dbraw/zinc/14/73/20/282147320.db2.gz LEJYEJOHUKHLPM-QGZVFWFLSA-N 1 3 315.461 2.495 20 0 DEADHO C[C@@H]1CN(CC2CC[NH+](CC3=CCCOC3)CC2)C[C@H](C)O1 ZINC000092587472 185327344 /nfs/dbraw/zinc/32/73/44/185327344.db2.gz DCQWTNWJNHASNY-IYBDPMFKSA-N 1 3 308.466 2.154 20 0 DEADHO CN(C)[C@H]1CCCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000176025310 282252773 /nfs/dbraw/zinc/25/27/73/282252773.db2.gz HGQXXDOVOKJCSE-KRWDZBQOSA-N 1 3 322.497 2.129 20 0 DEADHO CN1CCC(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000073471647 539349171 /nfs/dbraw/zinc/34/91/71/539349171.db2.gz YMXUIOBTVJFSKO-UHFFFAOYSA-N 1 3 319.449 2.297 20 0 DEADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C[C@H](N)c2ccccc2)C1 ZINC000448235526 529861707 /nfs/dbraw/zinc/86/17/07/529861707.db2.gz YJRHLFRIQZTFDZ-AEFFLSMTSA-N 1 3 315.461 2.267 20 0 DEADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C[C@H](N)c2ccccc2)C1 ZINC000448235526 529861708 /nfs/dbraw/zinc/86/17/08/529861708.db2.gz YJRHLFRIQZTFDZ-AEFFLSMTSA-N 1 3 315.461 2.267 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCN1CCc2ccccc2C1=O ZINC000191627446 282331202 /nfs/dbraw/zinc/33/12/02/282331202.db2.gz KQDLKYDCRQRWEM-VKJFTORMSA-N 1 3 315.461 2.003 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCN1CCc2ccccc2C1=O ZINC000191627446 282331206 /nfs/dbraw/zinc/33/12/06/282331206.db2.gz KQDLKYDCRQRWEM-VKJFTORMSA-N 1 3 315.461 2.003 20 0 DEADHO CCC[NH+]1CCC(NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000123900813 539467408 /nfs/dbraw/zinc/46/74/08/539467408.db2.gz KGLJENUMXLMUMU-IYBDPMFKSA-N 1 3 311.514 2.338 20 0 DEADHO C[C@H](C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1)N1CCCCCC1 ZINC000615617541 362660661 /nfs/dbraw/zinc/66/06/61/362660661.db2.gz ZUVOKJLBYVFKRE-SJLPKXTDSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@H](C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1)N1CCCCCC1 ZINC000615617541 362660664 /nfs/dbraw/zinc/66/06/64/362660664.db2.gz ZUVOKJLBYVFKRE-SJLPKXTDSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000360125041 535013282 /nfs/dbraw/zinc/01/32/82/535013282.db2.gz NHVGCWOQSGYHFF-MRXNPFEDSA-N 1 3 324.513 2.375 20 0 DEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000360125041 535013285 /nfs/dbraw/zinc/01/32/85/535013285.db2.gz NHVGCWOQSGYHFF-MRXNPFEDSA-N 1 3 324.513 2.375 20 0 DEADHO CC(C)C[C@@H](N)C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000168762188 539613075 /nfs/dbraw/zinc/61/30/75/539613075.db2.gz PBADLOGXGJHTIT-MRXNPFEDSA-N 1 3 307.438 2.329 20 0 DEADHO C[C@@H](CNC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1)N(C)C ZINC000616488919 362872337 /nfs/dbraw/zinc/87/23/37/362872337.db2.gz CFBSASHSOPWNFI-WMZOPIPTSA-N 1 3 317.477 2.007 20 0 DEADHO C[C@@H](CNC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)N(C)C ZINC000616488919 362872344 /nfs/dbraw/zinc/87/23/44/362872344.db2.gz CFBSASHSOPWNFI-WMZOPIPTSA-N 1 3 317.477 2.007 20 0 DEADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cccc(OC)c2F)CC1 ZINC000192679434 539708333 /nfs/dbraw/zinc/70/83/33/539708333.db2.gz HSAOLXFNJHIQAG-OAHLLOKOSA-N 1 3 323.456 2.198 20 0 DEADHO CC(C)C[C@@H](N)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000236741135 539739461 /nfs/dbraw/zinc/73/94/61/539739461.db2.gz NFLYSLGLKQRVLL-MRXNPFEDSA-N 1 3 307.438 2.329 20 0 DEADHO COC[C@@H]1CCCN(CC[C@H](C)[N@@H+]2CCC[C@H](COC)C2)C1 ZINC000245696299 539757676 /nfs/dbraw/zinc/75/76/76/539757676.db2.gz SDPOGALUIFFNIK-KSZLIROESA-N 1 3 312.498 2.482 20 0 DEADHO COC[C@@H]1CCCN(CC[C@H](C)[N@H+]2CCC[C@H](COC)C2)C1 ZINC000245696299 539757681 /nfs/dbraw/zinc/75/76/81/539757681.db2.gz SDPOGALUIFFNIK-KSZLIROESA-N 1 3 312.498 2.482 20 0 DEADHO COC[C@@H]1CCC[N@@H+](CC[C@H](C)N2CCC[C@H](COC)C2)C1 ZINC000245696299 539757685 /nfs/dbraw/zinc/75/76/85/539757685.db2.gz SDPOGALUIFFNIK-KSZLIROESA-N 1 3 312.498 2.482 20 0 DEADHO COC[C@@H]1CCC[N@H+](CC[C@H](C)N2CCC[C@H](COC)C2)C1 ZINC000245696299 539757687 /nfs/dbraw/zinc/75/76/87/539757687.db2.gz SDPOGALUIFFNIK-KSZLIROESA-N 1 3 312.498 2.482 20 0 DEADHO C[C@@H](CN(C)C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000287094530 219309675 /nfs/dbraw/zinc/30/96/75/219309675.db2.gz PPYGVNVXFKCFGK-DSLXNQLJSA-N 1 3 301.478 2.437 20 0 DEADHO CCOC[C@@H]1CCN(C/C=C\C[N@@H+]2CC[C@@H](COCC)C2)C1 ZINC000255170464 539786062 /nfs/dbraw/zinc/78/60/62/539786062.db2.gz YHAJBTKRRMYPQU-OSFIAYCASA-N 1 3 310.482 2.259 20 0 DEADHO CCOC[C@@H]1CCN(C/C=C\C[N@H+]2CC[C@@H](COCC)C2)C1 ZINC000255170464 539786066 /nfs/dbraw/zinc/78/60/66/539786066.db2.gz YHAJBTKRRMYPQU-OSFIAYCASA-N 1 3 310.482 2.259 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC[NH+]2CCCCCC2)c1 ZINC000155717775 186106112 /nfs/dbraw/zinc/10/61/12/186106112.db2.gz XAZOQTFPTJKPPL-UHFFFAOYSA-N 1 3 303.450 2.354 20 0 DEADHO COC(C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C)OC ZINC000189961463 186255928 /nfs/dbraw/zinc/25/59/28/186255928.db2.gz SATNWJDXHJKHKJ-GJZGRUSLSA-N 1 3 306.450 2.352 20 0 DEADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(C)(C)N)C1 ZINC000237503578 186298603 /nfs/dbraw/zinc/29/86/03/186298603.db2.gz UUUZVTISTALDBM-AWEZNQCLSA-N 1 3 303.450 2.272 20 0 DEADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C(C)(C)N)C1 ZINC000237503578 186298604 /nfs/dbraw/zinc/29/86/04/186298604.db2.gz UUUZVTISTALDBM-AWEZNQCLSA-N 1 3 303.450 2.272 20 0 DEADHO CCN1CCC(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000264266853 186333779 /nfs/dbraw/zinc/33/37/79/186333779.db2.gz KSCPCIDCLSRIPC-UHFFFAOYSA-N 1 3 315.461 2.497 20 0 DEADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1oc2ccccc2c1CN(C)C ZINC000262841904 186311680 /nfs/dbraw/zinc/31/16/80/186311680.db2.gz RKMBCJMMADJCTE-DOMZBBRYSA-N 1 3 315.417 2.222 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@@]2(C)CCCC[NH2+]2)cc1 ZINC000236770658 202000892 /nfs/dbraw/zinc/00/08/92/202000892.db2.gz LLOCKTOZYFFKID-SJLPKXTDSA-N 1 3 303.450 2.458 20 0 DEADHO C[NH+](C)C1(CNC(=O)NC2CCN(C3CC3)CC2)CCCCC1 ZINC000047746429 354329792 /nfs/dbraw/zinc/32/97/92/354329792.db2.gz KFSZKJCZICNBQM-UHFFFAOYSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC(CC[NH+](C)C)CC1 ZINC000056525130 354535710 /nfs/dbraw/zinc/53/57/10/354535710.db2.gz BGUKRLDTLDPWRQ-HZPDHXFCSA-N 1 3 309.498 2.440 20 0 DEADHO CN(C)C(=O)[C@H](c1ccccc1)N1CCC(CC[NH+](C)C)CC1 ZINC000056523867 354535771 /nfs/dbraw/zinc/53/57/71/354535771.db2.gz KJQQECTXKYKBIQ-SFHVURJKSA-N 1 3 317.477 2.480 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)NC1CC[NH+](C)CC1)c1ccco1 ZINC000349579723 283054001 /nfs/dbraw/zinc/05/40/01/283054001.db2.gz XQBCWJZNAXIMEC-ZFWWWQNUSA-N 1 3 322.453 2.102 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)N2CCCN(C(C)C)CC2)CC1 ZINC000069763676 354876783 /nfs/dbraw/zinc/87/67/83/354876783.db2.gz XSRYDTWJMSOWLO-UHFFFAOYSA-N 1 3 324.513 2.233 20 0 DEADHO COc1ccc2cc(C[NH2+]CC3(O)CCN(C)CC3)ccc2c1 ZINC000077450043 355205320 /nfs/dbraw/zinc/20/53/20/355205320.db2.gz MZOUQOJKARQMSO-UHFFFAOYSA-N 1 3 314.429 2.395 20 0 DEADHO CN1CCC(O)(C[NH2+]Cc2ccc(Br)s2)CC1 ZINC000077450532 355205551 /nfs/dbraw/zinc/20/55/51/355205551.db2.gz QMSDDZIHFJTVMM-UHFFFAOYSA-N 1 3 319.268 2.057 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000079116344 355298197 /nfs/dbraw/zinc/29/81/97/355298197.db2.gz FYKTWUUSOBPSEJ-MRXNPFEDSA-N 1 3 324.513 2.330 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000454616984 295904871 /nfs/dbraw/zinc/90/48/71/295904871.db2.gz KYGQQGWSHNARMA-HNNXBMFYSA-N 1 3 322.497 2.177 20 0 DEADHO CC[C@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])N1CCc2ccccc2C1 ZINC000430763828 540176171 /nfs/dbraw/zinc/17/61/71/540176171.db2.gz ONJAFNWHBBMTQK-KURKYZTESA-N 1 3 315.461 2.067 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)CCC(C)(C)C)CC2)CC1 ZINC000157739311 355956826 /nfs/dbraw/zinc/95/68/26/355956826.db2.gz CYSAYIFFGXOCOY-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO C[NH+](C)Cc1ccc(CN[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000182233158 356115147 /nfs/dbraw/zinc/11/51/47/356115147.db2.gz CNWPWMLKLHQLFB-SJORKVTESA-N 1 3 324.490 2.194 20 0 DEADHO COC(=O)COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCN(C)C1 ZINC000183567380 356176944 /nfs/dbraw/zinc/17/69/44/356176944.db2.gz BQZHNQZNOQDWKQ-CABCVRRESA-N 1 3 320.433 2.231 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)C2CC[NH+](C3CC3)CC2)cc1 ZINC000193925131 356232104 /nfs/dbraw/zinc/23/21/04/356232104.db2.gz RYWIAVCVIDHAMN-UHFFFAOYSA-N 1 3 315.461 2.239 20 0 DEADHO CC(C)COC[C@H](O)CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185662352 356209504 /nfs/dbraw/zinc/20/95/04/356209504.db2.gz KVOHDQCEFXTVIC-LZLYRXPVSA-N 1 3 312.498 2.263 20 0 DEADHO CC(C)COC[C@H](O)CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185662352 356209505 /nfs/dbraw/zinc/20/95/05/356209505.db2.gz KVOHDQCEFXTVIC-LZLYRXPVSA-N 1 3 312.498 2.263 20 0 DEADHO CC(C)COC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185662352 356209508 /nfs/dbraw/zinc/20/95/08/356209508.db2.gz KVOHDQCEFXTVIC-LZLYRXPVSA-N 1 3 312.498 2.263 20 0 DEADHO CC(C)[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000399367126 283151806 /nfs/dbraw/zinc/15/18/06/283151806.db2.gz JICLCWWYRSHLJW-YJBOKZPZSA-N 1 3 317.477 2.387 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000237046237 356293336 /nfs/dbraw/zinc/29/33/36/356293336.db2.gz XMCXZNWYEQQJJY-ZDUSSCGKSA-N 1 3 315.417 2.305 20 0 DEADHO CN(C)Cc1ccccc1CNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000314715251 356418836 /nfs/dbraw/zinc/41/88/36/356418836.db2.gz UBFFLJOMFIHOTH-HNNXBMFYSA-N 1 3 303.450 2.144 20 0 DEADHO CC(C)[C@@](C)(C[NH3+])NC(=O)c1cccc(CN2CCCC2)c1 ZINC000236843943 202035020 /nfs/dbraw/zinc/03/50/20/202035020.db2.gz MQMJNNXWSNVEBS-GOSISDBHSA-N 1 3 303.450 2.386 20 0 DEADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H](N)Cc1ccccc1 ZINC000236854922 202039205 /nfs/dbraw/zinc/03/92/05/202039205.db2.gz ODFRMCVSGWDNHM-WBVHZDCISA-N 1 3 305.466 2.183 20 0 DEADHO CCC[C@@H](N)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000236892770 202056180 /nfs/dbraw/zinc/05/61/80/202056180.db2.gz NXKDPBISCPVSJC-IAGOWNOFSA-N 1 3 303.450 2.094 20 0 DEADHO CCC[C@@H](N)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000236892770 202056183 /nfs/dbraw/zinc/05/61/83/202056183.db2.gz NXKDPBISCPVSJC-IAGOWNOFSA-N 1 3 303.450 2.094 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCOc1ccc(Cl)c(F)c1 ZINC000423156557 283195726 /nfs/dbraw/zinc/19/57/26/283195726.db2.gz SSWPGPNKLAHYTK-JVLSTEMRSA-N 1 3 316.804 2.200 20 0 DEADHO CN(C)C[C@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000237029588 202128925 /nfs/dbraw/zinc/12/89/25/202128925.db2.gz QTEUFVXDSNVNFR-ONQFOCNCSA-N 1 3 315.461 2.326 20 0 DEADHO CCN(CCNC1CC[NH+](C2CC2)CC1)C(=O)OC(C)(C)C ZINC000381936009 356672881 /nfs/dbraw/zinc/67/28/81/356672881.db2.gz URNDORXMERVRKN-UHFFFAOYSA-N 1 3 311.470 2.460 20 0 DEADHO C[NH2+]C[C@H](C)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000237076920 202145038 /nfs/dbraw/zinc/14/50/38/202145038.db2.gz WSICBDCILQBWPH-AWEZNQCLSA-N 1 3 321.490 2.072 20 0 DEADHO CCN(CC[NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000626957291 366378157 /nfs/dbraw/zinc/37/81/57/366378157.db2.gz LRXMXQQIEBXLMB-KRWDZBQOSA-N 1 3 318.465 2.122 20 0 DEADHO COc1ccc(CNCCCC[N@@H+]2CCC[C@@H]2CO)c(F)c1 ZINC000578633869 356848490 /nfs/dbraw/zinc/84/84/90/356848490.db2.gz BIZWGRJSFAUJFC-OAHLLOKOSA-N 1 3 310.413 2.161 20 0 DEADHO COc1ccc(CNCCCC[N@H+]2CCC[C@@H]2CO)c(F)c1 ZINC000578633869 356848494 /nfs/dbraw/zinc/84/84/94/356848494.db2.gz BIZWGRJSFAUJFC-OAHLLOKOSA-N 1 3 310.413 2.161 20 0 DEADHO CNC[C@](C)(O)C[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000579016245 356909087 /nfs/dbraw/zinc/90/90/87/356909087.db2.gz KZKIHTMTKFDIEP-SFHVURJKSA-N 1 3 317.433 2.176 20 0 DEADHO CNC[C@](C)(O)C[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000579016245 356909090 /nfs/dbraw/zinc/90/90/90/356909090.db2.gz KZKIHTMTKFDIEP-SFHVURJKSA-N 1 3 317.433 2.176 20 0 DEADHO C[C@@H](CNC(=O)[C@H]1CNCc2ccccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000579586298 356999282 /nfs/dbraw/zinc/99/92/82/356999282.db2.gz INIPFZPWRAWPPB-VKJFTORMSA-N 1 3 315.461 2.110 20 0 DEADHO C[C@@H](CNC(=O)[C@H]1CNCc2ccccc21)[N@H+]1CCC[C@@H](C)C1 ZINC000579586298 356999285 /nfs/dbraw/zinc/99/92/85/356999285.db2.gz INIPFZPWRAWPPB-VKJFTORMSA-N 1 3 315.461 2.110 20 0 DEADHO [NH3+][C@@H]1C[C@@H](Nc2ccc(N3CCNCC3)cn2)c2ccccc21 ZINC000579822505 357035634 /nfs/dbraw/zinc/03/56/34/357035634.db2.gz WTNQSVJAINBXNS-IAGOWNOFSA-N 1 3 309.417 2.048 20 0 DEADHO CC[NH2+]CC1CCN(C(=O)N[C@H](C)CN2CCC(C)CC2)CC1 ZINC000580963868 357110011 /nfs/dbraw/zinc/11/00/11/357110011.db2.gz DUHRGHZVKINXML-MRXNPFEDSA-N 1 3 324.513 2.138 20 0 DEADHO COc1ccc([C@H]2C[C@H](N[C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])C2)cc1F ZINC000580827815 357085629 /nfs/dbraw/zinc/08/56/29/357085629.db2.gz QVGDAQIFIFFXKW-NOSJPKONSA-N 1 3 322.424 2.422 20 0 DEADHO COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@@H](C)N)C2)cc1F ZINC000580827815 357085632 /nfs/dbraw/zinc/08/56/32/357085632.db2.gz QVGDAQIFIFFXKW-NOSJPKONSA-N 1 3 322.424 2.422 20 0 DEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000584834040 357318294 /nfs/dbraw/zinc/31/82/94/357318294.db2.gz NRRXTUOMUCLPGW-SJORKVTESA-N 1 3 309.498 2.129 20 0 DEADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C2(N)CCC2)CC1 ZINC000449347205 283274708 /nfs/dbraw/zinc/27/47/08/283274708.db2.gz GOZXQLPWCPIXPU-CQSZACIVSA-N 1 3 301.434 2.210 20 0 DEADHO COC(=O)c1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC000592433733 357876527 /nfs/dbraw/zinc/87/65/27/357876527.db2.gz RCTBDAFFUZBCFL-KBPBESRZSA-N 1 3 306.406 2.278 20 0 DEADHO c1c(CNCC2CCN(c3cc[nH+]cc3)CC2)nn2c1CCC2 ZINC000657425397 540306745 /nfs/dbraw/zinc/30/67/45/540306745.db2.gz JVEKCGYFIZFTCA-UHFFFAOYSA-N 1 3 311.433 2.231 20 0 DEADHO C[C@@H](CNC(=O)NC1CCC([NH+](C)C)CC1)N1CCC(C)CC1 ZINC000420816349 295956694 /nfs/dbraw/zinc/95/66/94/295956694.db2.gz YOCFFENOWGUKLX-GTPINHCMSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)NCC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000662824193 540335188 /nfs/dbraw/zinc/33/51/88/540335188.db2.gz BAMWSUYHDCVNBF-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)NCC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000662824193 540335192 /nfs/dbraw/zinc/33/51/92/540335192.db2.gz BAMWSUYHDCVNBF-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[C@H](C)C[N@@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663512924 540340372 /nfs/dbraw/zinc/34/03/72/540340372.db2.gz QLSBAOCPDOAWRR-HOTGVXAUSA-N 1 3 319.497 2.435 20 0 DEADHO CCC[C@H](C)C[N@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663512924 540340375 /nfs/dbraw/zinc/34/03/75/540340375.db2.gz QLSBAOCPDOAWRR-HOTGVXAUSA-N 1 3 319.497 2.435 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCc1cn(C)c2ccccc12 ZINC000665265286 540349001 /nfs/dbraw/zinc/34/90/01/540349001.db2.gz UKEUZZREHGHWNB-RRQGHBQHSA-N 1 3 301.434 2.063 20 0 DEADHO C[C@H]([NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)[C@H]1CCCNC1 ZINC000414844257 299271296 /nfs/dbraw/zinc/27/12/96/299271296.db2.gz CPKJRHWKVMQMAX-GJZGRUSLSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1cn[nH]c1CNC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000666922890 540362680 /nfs/dbraw/zinc/36/26/80/540362680.db2.gz JVXVZRYFTRABHY-GOEBONIOSA-N 1 3 302.397 2.340 20 0 DEADHO CCOc1c(CN[C@H]2CC23CC[NH2+]CC3)c(C)nn1CC(C)C ZINC000666952028 540368965 /nfs/dbraw/zinc/36/89/65/540368965.db2.gz CHGCDJWHBCPTTR-INIZCTEOSA-N 1 3 320.481 2.478 20 0 DEADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000495872043 283342575 /nfs/dbraw/zinc/34/25/75/283342575.db2.gz XMWSFRKCPQKCMK-PMPSAXMXSA-N 1 3 323.481 2.412 20 0 DEADHO CN1CCC[C@H]1CC[N@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000495872043 283342578 /nfs/dbraw/zinc/34/25/78/283342578.db2.gz XMWSFRKCPQKCMK-PMPSAXMXSA-N 1 3 323.481 2.412 20 0 DEADHO C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000237374581 202249043 /nfs/dbraw/zinc/24/90/43/202249043.db2.gz ASTRPVKPPVEEST-BPQIPLTHSA-N 1 3 315.461 2.237 20 0 DEADHO COC(=O)[C@H]1C[C@@H](N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000597221110 358859182 /nfs/dbraw/zinc/85/91/82/358859182.db2.gz JPGRWPPMKXGOHC-SPUZQDLCSA-N 1 3 316.445 2.438 20 0 DEADHO COC(=O)[C@H]1C[C@@H](N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000597221110 358859185 /nfs/dbraw/zinc/85/91/85/358859185.db2.gz JPGRWPPMKXGOHC-SPUZQDLCSA-N 1 3 316.445 2.438 20 0 DEADHO Cc1nc(C(C)C)oc1CN(C)CCCN(C)CC[NH+](C)C ZINC000428988120 237298045 /nfs/dbraw/zinc/29/80/45/237298045.db2.gz AALUVTHHXFPOOJ-UHFFFAOYSA-N 1 3 310.486 2.422 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)N(C)C ZINC000187467486 200116260 /nfs/dbraw/zinc/11/62/60/200116260.db2.gz DLFREYWNBKIFCH-ROUUACIJSA-N 1 3 317.477 2.353 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)N(C)C ZINC000187467486 200116262 /nfs/dbraw/zinc/11/62/62/200116262.db2.gz DLFREYWNBKIFCH-ROUUACIJSA-N 1 3 317.477 2.353 20 0 DEADHO C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H](C)CN1 ZINC000237624144 202309779 /nfs/dbraw/zinc/30/97/79/202309779.db2.gz WIKLAZRQULZJDL-RYRKJORJSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)CN1 ZINC000237624144 202309783 /nfs/dbraw/zinc/30/97/83/202309783.db2.gz WIKLAZRQULZJDL-RYRKJORJSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@H](C(=O)NCc1ccc2c(c1)C[NH2+]C2)N1CCCCCC1 ZINC000188652163 200281243 /nfs/dbraw/zinc/28/12/43/200281243.db2.gz BNGVDCZQXIXAAO-CQSZACIVSA-N 1 3 301.434 2.171 20 0 DEADHO C[C@@H](C(=O)NCc1ccc2c(c1)C[NH2+]C2)[C@H](N)c1ccccc1 ZINC000188724076 200294362 /nfs/dbraw/zinc/29/43/62/200294362.db2.gz ZQPYKWLMBFXWSW-ACJLOTCBSA-N 1 3 309.413 2.242 20 0 DEADHO O=C(NC[C@H](c1cccs1)N1CCCC1)C1CC[NH2+]CC1 ZINC000237907588 202388102 /nfs/dbraw/zinc/38/81/02/202388102.db2.gz JKLDHYZNUYAIOE-CQSZACIVSA-N 1 3 307.463 2.001 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)C1 ZINC000601244526 359980251 /nfs/dbraw/zinc/98/02/51/359980251.db2.gz TVYZSYMMWUJBTN-BRWVUGGUSA-N 1 3 324.513 2.279 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000601346414 360013423 /nfs/dbraw/zinc/01/34/23/360013423.db2.gz KYVXQBQVBYVJRY-HOTGVXAUSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1oc2ccccc2c1CN(C)C ZINC000193567825 201077133 /nfs/dbraw/zinc/07/71/33/201077133.db2.gz SZJJKBMBLTXBBP-SWLSCSKDSA-N 1 3 315.417 2.365 20 0 DEADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CCCn3cncn3)CC2)C1 ZINC000628213719 366770829 /nfs/dbraw/zinc/77/08/29/366770829.db2.gz UZWDITPPFQUCOX-WBVHZDCISA-N 1 3 305.470 2.301 20 0 DEADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCCn3cncn3)CC2)C1 ZINC000628213719 366770833 /nfs/dbraw/zinc/77/08/33/366770833.db2.gz UZWDITPPFQUCOX-WBVHZDCISA-N 1 3 305.470 2.301 20 0 DEADHO COC(=O)[C@@H]1CCCN(Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000611253562 361562855 /nfs/dbraw/zinc/56/28/55/361562855.db2.gz CXBMXNVETZMJSS-MRXNPFEDSA-N 1 3 320.433 2.012 20 0 DEADHO CN(C)Cc1cccc(NC(=O)NC2(C[NH+](C)C)CCC2)c1 ZINC000281523340 216359318 /nfs/dbraw/zinc/35/93/18/216359318.db2.gz ZMEQQBMFOPQTQI-UHFFFAOYSA-N 1 3 304.438 2.354 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CCC[NH2+]C1)c1ccsc1 ZINC000195156018 201349488 /nfs/dbraw/zinc/34/94/88/201349488.db2.gz YJMYPXWKUFLPBO-UKRRQHHQSA-N 1 3 309.479 2.247 20 0 DEADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000675185962 541297820 /nfs/dbraw/zinc/29/78/20/541297820.db2.gz ZOWZOYJRIUWLEB-DLBZAZTESA-N 1 3 324.513 2.280 20 0 DEADHO CCC[NH+]1CCC(N(C)C(=O)N[C@@H](CC)CN2CCCC2)CC1 ZINC000675192993 541300392 /nfs/dbraw/zinc/30/03/92/541300392.db2.gz AVZGUIAHTSUFHU-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000675197606 541301872 /nfs/dbraw/zinc/30/18/72/541301872.db2.gz PVLHVDCMELTQEC-OAHLLOKOSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H]1[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CCCN1C ZINC000343798694 291308461 /nfs/dbraw/zinc/30/84/61/291308461.db2.gz NKSCQCUDCNXLGZ-DZGCQCFKSA-N 1 3 310.486 2.031 20 0 DEADHO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cccc(CN4CCCC4)c3)C[C@H]12 ZINC000248597540 202749483 /nfs/dbraw/zinc/74/94/83/202749483.db2.gz IKSIPACQMHCERK-OKZBNKHCSA-N 1 3 313.445 2.092 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000623062407 364872241 /nfs/dbraw/zinc/87/22/41/364872241.db2.gz QYSJRBXFDAECLN-ZBFHGGJFSA-N 1 3 302.422 2.106 20 0 DEADHO CN(C)CCN(C)CCC[NH2+]Cc1cc(F)cc2cccnc21 ZINC000623087816 364879643 /nfs/dbraw/zinc/87/96/43/364879643.db2.gz JOUPVWYTRMLMMS-UHFFFAOYSA-N 1 3 318.440 2.347 20 0 DEADHO CN1CCN(CCCC[NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000623356752 364999713 /nfs/dbraw/zinc/99/97/13/364999713.db2.gz FESFVUAMUFTEEW-UHFFFAOYSA-N 1 3 300.450 2.285 20 0 DEADHO CN1CCCC[C@@H](C[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000623656797 365120903 /nfs/dbraw/zinc/12/09/03/365120903.db2.gz BZBMLTFMXAOKOX-AWEZNQCLSA-N 1 3 308.495 2.433 20 0 DEADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000623707692 365137630 /nfs/dbraw/zinc/13/76/30/365137630.db2.gz JMUZMBVURAISLP-RDJZCZTQSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H](NC(=O)NCCC[NH2+]C1CC1)[C@@H](c1ccccc1)N(C)C ZINC000418159568 296079720 /nfs/dbraw/zinc/07/97/20/296079720.db2.gz AJYARLLACRCPON-PBHICJAKSA-N 1 3 318.465 2.119 20 0 DEADHO FC(F)CN1CCC[C@@H]1CNC1CC[NH+](CC2CC2)CC1 ZINC000624096102 365286512 /nfs/dbraw/zinc/28/65/12/365286512.db2.gz SXXMGPVLDQSGMX-OAHLLOKOSA-N 1 3 301.425 2.180 20 0 DEADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(-n2cnnn2)cc1 ZINC000624121471 365296006 /nfs/dbraw/zinc/29/60/06/365296006.db2.gz XJQYGCMUYJMJMB-CABCVRRESA-N 1 3 314.437 2.045 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000624608622 365487017 /nfs/dbraw/zinc/48/70/17/365487017.db2.gz DMWJOIRZNAJBJW-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000624608622 365487020 /nfs/dbraw/zinc/48/70/20/365487020.db2.gz DMWJOIRZNAJBJW-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCC[N@H+](C)C1)N1CCCCC1 ZINC000628744293 366948221 /nfs/dbraw/zinc/94/82/21/366948221.db2.gz FFPXYHYDOWLVMJ-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCC[N@@H+](C)C1)N1CCCCC1 ZINC000628744293 366948227 /nfs/dbraw/zinc/94/82/27/366948227.db2.gz FFPXYHYDOWLVMJ-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CN(CC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1)C1CCC1 ZINC000629993433 367426862 /nfs/dbraw/zinc/42/68/62/367426862.db2.gz MFJMCFMFJHXUBJ-INIZCTEOSA-N 1 3 307.413 2.029 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccccc2-n2cncn2)[C@@H](C)C1 ZINC000678278079 541705256 /nfs/dbraw/zinc/70/52/56/541705256.db2.gz SYTIOBMYQVQWPT-RDJZCZTQSA-N 1 3 313.449 2.429 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)Cc2ccccc2-n2cncn2)[C@@H](C)C1 ZINC000678278079 541705258 /nfs/dbraw/zinc/70/52/58/541705258.db2.gz SYTIOBMYQVQWPT-RDJZCZTQSA-N 1 3 313.449 2.429 20 0 DEADHO CC[C@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H]1O ZINC000678342196 541716276 /nfs/dbraw/zinc/71/62/76/541716276.db2.gz ODJLTXAUDXLJSD-HKUYNNGSSA-N 1 3 318.461 2.364 20 0 DEADHO CCN(CC)[C@H](CNC(=O)C[NH2+]CC1CC1)c1ccccc1 ZINC000261628443 203083262 /nfs/dbraw/zinc/08/32/62/203083262.db2.gz HKOQQPXPDRSHIL-QGZVFWFLSA-N 1 3 303.450 2.185 20 0 DEADHO [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000261823885 203125581 /nfs/dbraw/zinc/12/55/81/203125581.db2.gz SWRUPCDAUOKHRP-KURKYZTESA-N 1 3 315.461 2.315 20 0 DEADHO CC(C)[NH+]1CCC(N(C)C(=O)[C@H](CN)c2ccccc2)CC1 ZINC000261841901 203130984 /nfs/dbraw/zinc/13/09/84/203130984.db2.gz CSEBPTNMJRAZGI-QGZVFWFLSA-N 1 3 303.450 2.060 20 0 DEADHO CN(C)CCOc1ccc(NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000261839616 203131799 /nfs/dbraw/zinc/13/17/99/203131799.db2.gz IQYXLOQZIRYPBT-WMLDXEAASA-N 1 3 319.449 2.473 20 0 DEADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000261864079 203137813 /nfs/dbraw/zinc/13/78/13/203137813.db2.gz XCRIJQGQXCAEHT-KSZLIROESA-N 1 3 315.461 2.457 20 0 DEADHO O=C(CC[C@H]1CC[NH2+]C1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000261922705 203153296 /nfs/dbraw/zinc/15/32/96/203153296.db2.gz XUHGOGAFPLQPCY-FUHWJXTLSA-N 1 3 315.461 2.157 20 0 DEADHO C[NH2+]CCC1CCN(C(=O)[C@@H](C)[C@H](N)c2ccccc2)CC1 ZINC000262047996 203183020 /nfs/dbraw/zinc/18/30/20/203183020.db2.gz MFQRGEGQIDOPMT-YOEHRIQHSA-N 1 3 303.450 2.171 20 0 DEADHO CCC[C@](C)(N)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000262141585 203209740 /nfs/dbraw/zinc/20/97/40/203209740.db2.gz PCQCDOGCRYQXKE-HKUYNNGSSA-N 1 3 317.477 2.484 20 0 DEADHO CCC[C@](C)(N)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000262141585 203209743 /nfs/dbraw/zinc/20/97/43/203209743.db2.gz PCQCDOGCRYQXKE-HKUYNNGSSA-N 1 3 317.477 2.484 20 0 DEADHO CC[C@H](N)C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000262629284 203357106 /nfs/dbraw/zinc/35/71/06/203357106.db2.gz DABIQHVSFBQOGJ-IRXDYDNUSA-N 1 3 303.450 2.094 20 0 DEADHO CC[C@H](N)C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000262629284 203357109 /nfs/dbraw/zinc/35/71/09/203357109.db2.gz DABIQHVSFBQOGJ-IRXDYDNUSA-N 1 3 303.450 2.094 20 0 DEADHO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)CC1CC[NH2+]CC1 ZINC000094011075 193338744 /nfs/dbraw/zinc/33/87/44/193338744.db2.gz FYMFXUJWSYLWDK-ZDUSSCGKSA-N 1 3 310.463 2.083 20 0 DEADHO CCN(C(=O)[C@@H](C)N1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000443058697 284196905 /nfs/dbraw/zinc/19/69/05/284196905.db2.gz LBTPPMPUBGHWGS-HZPDHXFCSA-N 1 3 303.450 2.489 20 0 DEADHO COCCN(C)CC[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274914503 212029930 /nfs/dbraw/zinc/02/99/30/212029930.db2.gz NZDYTVSRCXJEFQ-PKOBYXMFSA-N 1 3 319.493 2.065 20 0 DEADHO COCCN(C)CCN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274914503 212029932 /nfs/dbraw/zinc/02/99/32/212029932.db2.gz NZDYTVSRCXJEFQ-PKOBYXMFSA-N 1 3 319.493 2.065 20 0 DEADHO COCCN(C)CCN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274914503 212029934 /nfs/dbraw/zinc/02/99/34/212029934.db2.gz NZDYTVSRCXJEFQ-PKOBYXMFSA-N 1 3 319.493 2.065 20 0 DEADHO C[C@@H](CCCCO)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000679341157 541841727 /nfs/dbraw/zinc/84/17/27/541841727.db2.gz XDLUTGJTKIPTMB-INIZCTEOSA-N 1 3 320.477 2.284 20 0 DEADHO CC[N@H+](C)Cc1cccc(CNC(=O)NCCN(C)C2CC2)c1 ZINC000264874038 204228726 /nfs/dbraw/zinc/22/87/26/204228726.db2.gz PRDASCVCOCBIBG-UHFFFAOYSA-N 1 3 318.465 2.032 20 0 DEADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NCCN(C)C2CC2)c1 ZINC000264874038 204228729 /nfs/dbraw/zinc/22/87/29/204228729.db2.gz PRDASCVCOCBIBG-UHFFFAOYSA-N 1 3 318.465 2.032 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000448246756 284343257 /nfs/dbraw/zinc/34/32/57/284343257.db2.gz GAVFCKMURSJBKD-HOTGVXAUSA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000448246756 284343259 /nfs/dbraw/zinc/34/32/59/284343259.db2.gz GAVFCKMURSJBKD-HOTGVXAUSA-N 1 3 324.513 2.090 20 0 DEADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCN1C ZINC000266457360 205360481 /nfs/dbraw/zinc/36/04/81/205360481.db2.gz YXBWHQWMLNCXFM-MSOLQXFVSA-N 1 3 315.461 2.061 20 0 DEADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCN1C ZINC000266457360 205360486 /nfs/dbraw/zinc/36/04/86/205360486.db2.gz YXBWHQWMLNCXFM-MSOLQXFVSA-N 1 3 315.461 2.061 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000530276180 284393326 /nfs/dbraw/zinc/39/33/26/284393326.db2.gz KHGYGENPHVWFGL-WBVHZDCISA-N 1 3 307.482 2.384 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000530276180 284393332 /nfs/dbraw/zinc/39/33/32/284393332.db2.gz KHGYGENPHVWFGL-WBVHZDCISA-N 1 3 307.482 2.384 20 0 DEADHO C[NH+]1CCC(CNC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000101522521 193816064 /nfs/dbraw/zinc/81/60/64/193816064.db2.gz ADXJKAXATBNKMI-UHFFFAOYSA-N 1 3 315.461 2.354 20 0 DEADHO COc1ccc(C[C@H](C)[NH2+]CC2=CCN(C)CC2)cc1OC ZINC000271861002 209275297 /nfs/dbraw/zinc/27/52/97/209275297.db2.gz KJZGZIXKYGPFQQ-AWEZNQCLSA-N 1 3 304.434 2.486 20 0 DEADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](N)CCSC)CC1 ZINC000040468750 183073295 /nfs/dbraw/zinc/07/32/95/183073295.db2.gz MFQSKBLFWZIBOY-HNNXBMFYSA-N 1 3 315.527 2.037 20 0 DEADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](N)CCSC)CC1 ZINC000040468750 183073297 /nfs/dbraw/zinc/07/32/97/183073297.db2.gz MFQSKBLFWZIBOY-HNNXBMFYSA-N 1 3 315.527 2.037 20 0 DEADHO CN(C)C[C@H](NC(=O)/C=C/C[NH+](C)C)c1ccc(Cl)cc1 ZINC000492907421 249170074 /nfs/dbraw/zinc/17/00/74/249170074.db2.gz DENKXKDDPGYQTJ-NFAHFFEMSA-N 1 3 309.841 2.177 20 0 DEADHO COc1cccc2c1CC[C@@H]2[NH2+]CCCCN1CCN(C)CC1 ZINC000532196748 284664359 /nfs/dbraw/zinc/66/43/59/284664359.db2.gz NAGRAKOTUVKDBP-SFHVURJKSA-N 1 3 317.477 2.300 20 0 DEADHO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]CC1=CCN(C)CC1 ZINC000271878002 209288109 /nfs/dbraw/zinc/28/81/09/209288109.db2.gz OQBZBFLXPFDBPJ-HNNXBMFYSA-N 1 3 301.434 2.280 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1 ZINC000104413644 194006535 /nfs/dbraw/zinc/00/65/35/194006535.db2.gz YPFLPDMYUKKKLO-QGZVFWFLSA-N 1 3 303.450 2.305 20 0 DEADHO C[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)[C@H]1CCOC1 ZINC000268894136 207062948 /nfs/dbraw/zinc/06/29/48/207062948.db2.gz PQZFRBRPGLJGLO-WBVHZDCISA-N 1 3 306.450 2.184 20 0 DEADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000268988873 207146919 /nfs/dbraw/zinc/14/69/19/207146919.db2.gz MBYCPDHQPAMNAY-CXAGYDPISA-N 1 3 306.425 2.495 20 0 DEADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cnc2ccsc2c1 ZINC000268996059 207152948 /nfs/dbraw/zinc/15/29/48/207152948.db2.gz NRLGCAXJSZSHEZ-LBPRGKRZSA-N 1 3 305.447 2.404 20 0 DEADHO CN(C)CCOc1cccc(CNC(=O)CCCCCC[NH3+])c1 ZINC000269223714 207344220 /nfs/dbraw/zinc/34/42/20/207344220.db2.gz BPDOSAVYNIMTPB-UHFFFAOYSA-N 1 3 321.465 2.152 20 0 DEADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@H](N)C(C)C ZINC000269228268 207351044 /nfs/dbraw/zinc/35/10/44/207351044.db2.gz GGOYUAMNRZKAAZ-QGZVFWFLSA-N 1 3 321.465 2.007 20 0 DEADHO CN(C)CCOCC[NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000682615270 542329704 /nfs/dbraw/zinc/32/97/04/542329704.db2.gz CRBKGBBPGXCQKV-GOSISDBHSA-N 1 3 319.493 2.207 20 0 DEADHO C[C@@H](CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)N(C)C1CC1 ZINC000116545987 194755403 /nfs/dbraw/zinc/75/54/03/194755403.db2.gz BRPOHLSQNIVYHP-ZFWWWQNUSA-N 1 3 312.502 2.135 20 0 DEADHO CCN(Cc1ccc(C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1)C1CC1 ZINC000261945779 285097655 /nfs/dbraw/zinc/09/76/55/285097655.db2.gz JTQDILBQVIPRNC-IBGZPJMESA-N 1 3 315.461 2.482 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)N(CCN(C)C)C2CCCC2)CC1 ZINC000159093336 197327003 /nfs/dbraw/zinc/32/70/03/197327003.db2.gz UIERAKHLZZIBLW-UHFFFAOYSA-N 1 3 324.513 2.375 20 0 DEADHO O=C(CC[NH2+]C1CCN(C2CCCC2)CC1)Nc1ccccn1 ZINC000540812971 285128839 /nfs/dbraw/zinc/12/88/39/285128839.db2.gz COQFSDNPRXGJHZ-UHFFFAOYSA-N 1 3 316.449 2.407 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC[C@H]1C ZINC000337885683 285245745 /nfs/dbraw/zinc/24/57/45/285245745.db2.gz VTXSCRWVQQUPMU-ZACQAIPSSA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC[C@H]1C ZINC000337885683 285245749 /nfs/dbraw/zinc/24/57/49/285245749.db2.gz VTXSCRWVQQUPMU-ZACQAIPSSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](CC[NH2+]C1CCN(c2cnccn2)CC1)N1CCCCC1 ZINC000543418046 285285068 /nfs/dbraw/zinc/28/50/68/285285068.db2.gz MPFFRLFEWPAGMY-INIZCTEOSA-N 1 3 317.481 2.300 20 0 DEADHO COCCOCc1ccc(C[N@@H+]2CC[C@H](CN(C)C)C2)cc1 ZINC000289531461 221046593 /nfs/dbraw/zinc/04/65/93/221046593.db2.gz GOGUKCMCWBADTN-GOSISDBHSA-N 1 3 306.450 2.233 20 0 DEADHO COCCOCc1ccc(C[N@H+]2CC[C@H](CN(C)C)C2)cc1 ZINC000289531461 221046598 /nfs/dbraw/zinc/04/65/98/221046598.db2.gz GOGUKCMCWBADTN-GOSISDBHSA-N 1 3 306.450 2.233 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@H]2CC[NH2+][C@@H]2CC)N(C)C)cc1 ZINC000289835575 221258718 /nfs/dbraw/zinc/25/87/18/221258718.db2.gz DVKOGGNNSMWFNP-KSZLIROESA-N 1 3 317.477 2.356 20 0 DEADHO CN1CCC(N2CC[C@H]([NH2+]Cc3cc4ccccc4[nH]3)C2)CC1 ZINC000683927091 542519545 /nfs/dbraw/zinc/51/95/45/542519545.db2.gz KURATASBDMMSLY-INIZCTEOSA-N 1 3 312.461 2.426 20 0 DEADHO C[C@@H](NC1CC1)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000296017648 533335323 /nfs/dbraw/zinc/33/53/23/533335323.db2.gz MBTHKKKQAPJVMU-CYBMUJFWSA-N 1 3 314.433 2.282 20 0 DEADHO COc1ccc(C2(CN[C@@H]3CCC[C@H]3[NH3+])CCOCC2)cc1 ZINC000422897906 533425943 /nfs/dbraw/zinc/42/59/43/533425943.db2.gz KPEJBHLBWVDMTA-IAGOWNOFSA-N 1 3 304.434 2.213 20 0 DEADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000422847188 533660845 /nfs/dbraw/zinc/66/08/45/533660845.db2.gz HPOXUEPMTMWQOX-ROUUACIJSA-N 1 3 323.525 2.247 20 0 DEADHO CO[C@H]1CCC[C@@H]([NH2+]C2CCN(C3CCN(C)CC3)CC2)C1 ZINC000684374250 542596032 /nfs/dbraw/zinc/59/60/32/542596032.db2.gz MFCPKTKKTFSIBI-AEFFLSMTSA-N 1 3 309.498 2.092 20 0 DEADHO CC(C)[NH+]1CCC(NC[C@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000562671138 292001360 /nfs/dbraw/zinc/00/13/60/292001360.db2.gz IZRWXQXYCNAHKO-KRWDZBQOSA-N 1 3 313.449 2.399 20 0 DEADHO c1ccc2c(c1)C[C@H]1[C@@H]2[C@H]1CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422993401 285517658 /nfs/dbraw/zinc/51/76/58/285517658.db2.gz STGAKVUDAUAVCY-WMDIELAYSA-N 1 3 312.457 2.319 20 0 DEADHO C[C@H]1CN(C(=O)NCC2([NH3+])CCCCC2)CCN(C2CCC2)C1 ZINC000562813243 292012626 /nfs/dbraw/zinc/01/26/26/292012626.db2.gz UCGLERAJJWEPLV-OAHLLOKOSA-N 1 3 322.497 2.164 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000355414087 133024855 /nfs/dbraw/zinc/02/48/55/133024855.db2.gz RTCJYYDSEGMDEI-CALCHBBNSA-N 1 3 317.477 2.498 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000355414087 133024856 /nfs/dbraw/zinc/02/48/56/133024856.db2.gz RTCJYYDSEGMDEI-CALCHBBNSA-N 1 3 317.477 2.498 20 0 DEADHO C[C@H](CNC(=O)N[C@@H](C)C1=CCN(C)CC1)C[NH+]1CCCCC1 ZINC000357879224 133106672 /nfs/dbraw/zinc/10/66/72/133106672.db2.gz VKGACJPUWSZBFH-CVEARBPZSA-N 1 3 322.497 2.058 20 0 DEADHO O=C(NCCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(F)c1 ZINC000358079983 133119403 /nfs/dbraw/zinc/11/94/03/133119403.db2.gz FCWDWQCCAIZYLD-SJORKVTESA-N 1 3 319.424 2.162 20 0 DEADHO O=C(NCCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(F)c1 ZINC000358079983 133119404 /nfs/dbraw/zinc/11/94/04/133119404.db2.gz FCWDWQCCAIZYLD-SJORKVTESA-N 1 3 319.424 2.162 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)C2=CCN(C)CC2)C[C@@H]1C ZINC000358101836 133121155 /nfs/dbraw/zinc/12/11/55/133121155.db2.gz HHKLRQDSYOIHSO-ZOBUZTSGSA-N 1 3 322.497 2.151 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)C2=CCN(C)CC2)C[C@@H]1C ZINC000358101836 133121156 /nfs/dbraw/zinc/12/11/56/133121156.db2.gz HHKLRQDSYOIHSO-ZOBUZTSGSA-N 1 3 322.497 2.151 20 0 DEADHO COC1(C[NH2+]C2CCN(C3CCN(C)CC3)CC2)CCCC1 ZINC000359739745 133141606 /nfs/dbraw/zinc/14/16/06/133141606.db2.gz NJSVFIXIJSXBSD-UHFFFAOYSA-N 1 3 309.498 2.094 20 0 DEADHO Cc1cc(C)cc(NC(=[NH2+])NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000360574161 133191500 /nfs/dbraw/zinc/19/15/00/133191500.db2.gz YCORVOOFYAYXIR-HZPDHXFCSA-N 1 3 302.422 2.103 20 0 DEADHO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccccc1CN(C)C ZINC000362511690 133234628 /nfs/dbraw/zinc/23/46/28/133234628.db2.gz OLZJBHIELITFHY-OAHLLOKOSA-N 1 3 303.450 2.352 20 0 DEADHO Cc1cccc(CN2CCCC[C@H]2C(=O)N2CC[C@H](C[NH3+])C2)c1 ZINC000377125350 133319337 /nfs/dbraw/zinc/31/93/37/133319337.db2.gz FHUAPDMDXSVLNQ-MSOLQXFVSA-N 1 3 315.461 2.157 20 0 DEADHO C[NH+](C)C[C@H]1CCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000563097634 292031121 /nfs/dbraw/zinc/03/11/21/292031121.db2.gz ZICBUYHJPHRRLG-ZBFHGGJFSA-N 1 3 303.450 2.123 20 0 DEADHO C[C@H](c1ccncc1)N1CCC([NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000422971459 299664749 /nfs/dbraw/zinc/66/47/49/299664749.db2.gz YGKNXCNXBLRALR-UWWQBHOKSA-N 1 3 302.466 2.324 20 0 DEADHO C[NH+](C)[C@@H](CNC(=O)C(C)(C)[C@@H](N)c1ccccc1)C1CC1 ZINC000564936325 292122078 /nfs/dbraw/zinc/12/20/78/292122078.db2.gz JETGDGKDIZKIMZ-HOTGVXAUSA-N 1 3 303.450 2.169 20 0 DEADHO CC(C)(C)N1CC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1=O ZINC000564990950 292125280 /nfs/dbraw/zinc/12/52/80/292125280.db2.gz QFEQCNUFRKFMQI-INIZCTEOSA-N 1 3 316.449 2.039 20 0 DEADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000247311579 145132737 /nfs/dbraw/zinc/13/27/37/145132737.db2.gz KCAMRXGOUULBTP-DLBZAZTESA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000247311579 145132738 /nfs/dbraw/zinc/13/27/38/145132738.db2.gz KCAMRXGOUULBTP-DLBZAZTESA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)c1ccc(OCCN(C)C)cc1 ZINC000249034466 145175804 /nfs/dbraw/zinc/17/58/04/145175804.db2.gz FTPKPOJRSDCMMB-ZMSDIMECSA-N 1 3 306.450 2.439 20 0 DEADHO COCC1CCN(C/C=C\C[NH+]2CCC(COC)CC2)CC1 ZINC000255397794 145204607 /nfs/dbraw/zinc/20/46/07/145204607.db2.gz KAYKCSHRCBRILE-ARJAWSKDSA-N 1 3 310.482 2.259 20 0 DEADHO CN(C)CCN(Cc1ccccc1)C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000261548631 145206848 /nfs/dbraw/zinc/20/68/48/145206848.db2.gz NRJXQKGEZIHLAD-ROUUACIJSA-N 1 3 317.477 2.484 20 0 DEADHO C[NH+](C)CCOc1cccc(NC(=O)C2(N)CCCCC2)c1 ZINC000261598951 145209055 /nfs/dbraw/zinc/20/90/55/145209055.db2.gz BAVQSACQJKMRQK-UHFFFAOYSA-N 1 3 305.422 2.227 20 0 DEADHO C[C@]1(C[NH3+])CCN(CCC(=O)NCc2ccccc2Cl)C1 ZINC000261901842 145239515 /nfs/dbraw/zinc/23/95/15/145239515.db2.gz WPFLCLKDNUXQPN-MRXNPFEDSA-N 1 3 309.841 2.017 20 0 DEADHO C[C@]1(CN)CC[N@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000261901842 145239517 /nfs/dbraw/zinc/23/95/17/145239517.db2.gz WPFLCLKDNUXQPN-MRXNPFEDSA-N 1 3 309.841 2.017 20 0 DEADHO C[C@]1(CN)CC[N@@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000261901842 145239519 /nfs/dbraw/zinc/23/95/19/145239519.db2.gz WPFLCLKDNUXQPN-MRXNPFEDSA-N 1 3 309.841 2.017 20 0 DEADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1coc2ccccc12 ZINC000261931388 145243368 /nfs/dbraw/zinc/24/33/68/145243368.db2.gz CUNTWJVTWJAHJP-OAHLLOKOSA-N 1 3 315.417 2.252 20 0 DEADHO C[NH2+]CCC1CCN([C@H](C)C(=O)NCc2ccc(C)cc2)CC1 ZINC000261977037 145248283 /nfs/dbraw/zinc/24/82/83/145248283.db2.gz GMQQVQBVSAIFSX-MRXNPFEDSA-N 1 3 317.477 2.321 20 0 DEADHO C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](N)c1ccccc1 ZINC000262109095 145262479 /nfs/dbraw/zinc/26/24/79/145262479.db2.gz JRDMUJOCKTVYLO-ORQFMDKSSA-N 1 3 301.434 2.018 20 0 DEADHO C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H](N)c1ccccc1 ZINC000262109095 145262480 /nfs/dbraw/zinc/26/24/80/145262480.db2.gz JRDMUJOCKTVYLO-ORQFMDKSSA-N 1 3 301.434 2.018 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000262129794 145264640 /nfs/dbraw/zinc/26/46/40/145264640.db2.gz LJBXWXXNVQMSKX-GVDBMIGSSA-N 1 3 301.434 2.067 20 0 DEADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262376642 145280172 /nfs/dbraw/zinc/28/01/72/145280172.db2.gz XIHRPQMWJHHZEO-XKTBZMPXSA-N 1 3 321.509 2.377 20 0 DEADHO c1cn(CCN2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000310009562 145351501 /nfs/dbraw/zinc/35/15/01/145351501.db2.gz JOJGSYVZYYHGLV-RTBURBONSA-N 1 3 310.445 2.337 20 0 DEADHO c1cn(CCN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000310009562 145351502 /nfs/dbraw/zinc/35/15/02/145351502.db2.gz JOJGSYVZYYHGLV-RTBURBONSA-N 1 3 310.445 2.337 20 0 DEADHO CCN(CCC[NH+](CC)CC)C(=O)[C@H](CN)c1ccccc1 ZINC000319941321 145373449 /nfs/dbraw/zinc/37/34/49/145373449.db2.gz LAPSUZNBYYTPCO-QGZVFWFLSA-N 1 3 305.466 2.309 20 0 DEADHO COC[C@@H]1CCCN(CC(C)C[N@@H+]2CCC[C@@H](COC)C2)C1 ZINC000346640031 146115293 /nfs/dbraw/zinc/11/52/93/146115293.db2.gz IFZMMZHQUGDZOC-QZTJIDSGSA-N 1 3 312.498 2.339 20 0 DEADHO COC[C@@H]1CCCN(CC(C)C[N@H+]2CCC[C@@H](COC)C2)C1 ZINC000346640031 146115295 /nfs/dbraw/zinc/11/52/95/146115295.db2.gz IFZMMZHQUGDZOC-QZTJIDSGSA-N 1 3 312.498 2.339 20 0 DEADHO COCCOc1ccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000346848934 146152860 /nfs/dbraw/zinc/15/28/60/146152860.db2.gz FQWWRPMIZUYPAT-RYQLBKOJSA-N 1 3 304.434 2.271 20 0 DEADHO Cc1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1-n1cncn1 ZINC000346855681 146154630 /nfs/dbraw/zinc/15/46/30/146154630.db2.gz VFPYUXYQHAUBJN-BBWFWOEESA-N 1 3 311.433 2.135 20 0 DEADHO CN1CCC(O)(C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000348050784 146212484 /nfs/dbraw/zinc/21/24/84/146212484.db2.gz ZGDWJRZIEVVVOF-UHFFFAOYSA-N 1 3 310.388 2.257 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000349118028 146352688 /nfs/dbraw/zinc/35/26/88/146352688.db2.gz LVZZFZVGVGTUBU-KRWDZBQOSA-N 1 3 307.482 2.338 20 0 DEADHO CC[C@@H](C)N[C@@H](CNC(=O)NC1CC[NH+](C)CC1)c1ccco1 ZINC000349579721 146387322 /nfs/dbraw/zinc/38/73/22/146387322.db2.gz XQBCWJZNAXIMEC-HIFRSBDPSA-N 1 3 322.453 2.102 20 0 DEADHO FC(F)(F)Cn1cc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000357073726 147036246 /nfs/dbraw/zinc/03/62/46/147036246.db2.gz IEQURMYMWYWESF-CQSZACIVSA-N 1 3 316.371 2.267 20 0 DEADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NCC1(SC)CCN(C)CC1 ZINC000359271505 147296208 /nfs/dbraw/zinc/29/62/08/147296208.db2.gz MCAZTXBYKLJNBH-CQSZACIVSA-N 1 3 315.527 2.097 20 0 DEADHO C[C@@]1(NCCC[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)CCO[C@H]1C1CC1 ZINC000371717698 148133396 /nfs/dbraw/zinc/13/33/96/148133396.db2.gz UDBKRCYMSHKMLE-SEXKYXSUSA-N 1 3 322.493 2.471 20 0 DEADHO C[C@@]1([NH2+]CCCN[C@@]2(C)CCO[C@@H]2C2CC2)CCO[C@H]1C1CC1 ZINC000371717698 148133398 /nfs/dbraw/zinc/13/33/98/148133398.db2.gz UDBKRCYMSHKMLE-SEXKYXSUSA-N 1 3 322.493 2.471 20 0 DEADHO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2NCCCC[NH3+])cc1 ZINC000423334999 292185632 /nfs/dbraw/zinc/18/56/32/292185632.db2.gz TUZYLCDTTKSIGD-DLBZAZTESA-N 1 3 324.490 2.408 20 0 DEADHO Cc1nccnc1CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000565945150 292192486 /nfs/dbraw/zinc/19/24/86/292192486.db2.gz WAGWBFHEOQIFTL-IEBWSBKVSA-N 1 3 324.428 2.173 20 0 DEADHO O[C@@H]1CCCC[C@H]1CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000566088793 292203704 /nfs/dbraw/zinc/20/37/04/292203704.db2.gz NGJBXPSRWLGOMY-WFEDQXDTSA-N 1 3 316.445 2.383 20 0 DEADHO CCNC(=O)C1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CCC1 ZINC000566088879 292203792 /nfs/dbraw/zinc/20/37/92/292203792.db2.gz FNUZFQLEPLOKRH-OWCLPIDISA-N 1 3 307.482 2.193 20 0 DEADHO Cc1c(CN2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cnn1C ZINC000126481836 401696395 /nfs/dbraw/zinc/69/63/95/401696395.db2.gz UKVCBVFZLMRACL-GASCZTMLSA-N 1 3 320.481 2.050 20 0 DEADHO Cc1c(CN2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cnn1C ZINC000126481836 401696398 /nfs/dbraw/zinc/69/63/98/401696398.db2.gz UKVCBVFZLMRACL-GASCZTMLSA-N 1 3 320.481 2.050 20 0 DEADHO Cc1cc(NC(=O)CC[N@@H+](C)CC[C@H]2CCCCN2C)no1 ZINC000075860307 401771658 /nfs/dbraw/zinc/77/16/58/401771658.db2.gz PJFDEDGTQKDOGY-CQSZACIVSA-N 1 3 308.426 2.118 20 0 DEADHO Cc1cc(NC(=O)CC[N@H+](C)CC[C@H]2CCCCN2C)no1 ZINC000075860307 401771662 /nfs/dbraw/zinc/77/16/62/401771662.db2.gz PJFDEDGTQKDOGY-CQSZACIVSA-N 1 3 308.426 2.118 20 0 DEADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CCCN1C ZINC000114075182 401791197 /nfs/dbraw/zinc/79/11/97/401791197.db2.gz QJCXZMDHORCPAV-QGZVFWFLSA-N 1 3 303.450 2.191 20 0 DEADHO O=C(C[C@@H]1CC[NH2+]C1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000130557907 401835594 /nfs/dbraw/zinc/83/55/94/401835594.db2.gz LCLOPYJWDDYHHL-LSDHHAIUSA-N 1 3 321.490 2.076 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000078602128 401858060 /nfs/dbraw/zinc/85/80/60/401858060.db2.gz KXMSDKRJRYSNCM-KRWDZBQOSA-N 1 3 324.513 2.282 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC000078714962 401862995 /nfs/dbraw/zinc/86/29/95/401862995.db2.gz YVUMAXOJMRMPOV-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC000078714962 401862997 /nfs/dbraw/zinc/86/29/97/401862997.db2.gz YVUMAXOJMRMPOV-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2cscn2)[C@H](C)C1 ZINC000134857198 401916785 /nfs/dbraw/zinc/91/67/85/401916785.db2.gz UAAPGHKVFLYOFE-GDBMZVCRSA-N 1 3 311.495 2.412 20 0 DEADHO CCOCCC[N@H+]1CC[C@@H](NCCc2cscn2)[C@H](C)C1 ZINC000134857198 401916788 /nfs/dbraw/zinc/91/67/88/401916788.db2.gz UAAPGHKVFLYOFE-GDBMZVCRSA-N 1 3 311.495 2.412 20 0 DEADHO CC[NH+]1CCC(NC(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000136388691 401967199 /nfs/dbraw/zinc/96/71/99/401967199.db2.gz CGGSNCZBPLLLGK-UHFFFAOYSA-N 1 3 322.497 2.131 20 0 DEADHO Cc1cccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000050802386 402029940 /nfs/dbraw/zinc/02/99/40/402029940.db2.gz WKUOZSULXWFOHN-UHFFFAOYSA-N 1 3 315.461 2.283 20 0 DEADHO CC(C)[NH2+]CCC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000566191070 292216184 /nfs/dbraw/zinc/21/61/84/292216184.db2.gz OBUHXTDAGVJAKJ-OAHLLOKOSA-N 1 3 318.465 2.111 20 0 DEADHO CC[C@H](C(=O)NCc1cccc(C[NH+](CC)CC)c1)N(C)C ZINC000124862301 402201306 /nfs/dbraw/zinc/20/13/06/402201306.db2.gz PKVGPLIPWMPZIN-QGZVFWFLSA-N 1 3 305.466 2.485 20 0 DEADHO CCN1CCN(CCC[NH2+]CC2=Cc3ccccc3OC2)CC1 ZINC000102422168 402166840 /nfs/dbraw/zinc/16/68/40/402166840.db2.gz KBZQNNLILKLUNU-UHFFFAOYSA-N 1 3 315.461 2.080 20 0 DEADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(CS(C)(=O)=O)cc1 ZINC000125740137 402248115 /nfs/dbraw/zinc/24/81/15/402248115.db2.gz ODNBPBQUMRWUPY-CKEIUWERSA-N 1 3 324.490 2.050 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000105128428 402206961 /nfs/dbraw/zinc/20/69/61/402206961.db2.gz KJWCCAFUBOVCFY-ZACQAIPSSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NC[C@]2(O)CCSC2)CC1 ZINC000158271935 402303868 /nfs/dbraw/zinc/30/38/68/402303868.db2.gz FXVDGGDUFCFBON-USXIJHARSA-N 1 3 312.523 2.487 20 0 DEADHO CCN(CCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)C1CC1 ZINC000158541508 402308008 /nfs/dbraw/zinc/30/80/08/402308008.db2.gz FXRHEMWCXNTAIO-MRXNPFEDSA-N 1 3 322.497 2.131 20 0 DEADHO CC1CCN(CCNC(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000185478900 402354734 /nfs/dbraw/zinc/35/47/34/402354734.db2.gz HAXBVXLMCBVEFW-UHFFFAOYSA-N 1 3 324.513 2.140 20 0 DEADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H]3CCCCN3)C2)CC1 ZINC000236628613 402369560 /nfs/dbraw/zinc/36/95/60/402369560.db2.gz YOKPWVXVQLRDFM-SJORKVTESA-N 1 3 307.482 2.099 20 0 DEADHO CCCC[C@H](N)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000236758018 402380861 /nfs/dbraw/zinc/38/08/61/402380861.db2.gz OUADQJDWPRYVOW-MSOLQXFVSA-N 1 3 317.477 2.484 20 0 DEADHO CCCC[C@H](N)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000236758018 402380865 /nfs/dbraw/zinc/38/08/65/402380865.db2.gz OUADQJDWPRYVOW-MSOLQXFVSA-N 1 3 317.477 2.484 20 0 DEADHO CCC[C@H]([NH3+])C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000236867715 402386006 /nfs/dbraw/zinc/38/60/06/402386006.db2.gz YXPTXHAAQKPQCM-DLBZAZTESA-N 1 3 319.449 2.076 20 0 DEADHO CN(C)Cc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000177544255 402414610 /nfs/dbraw/zinc/41/46/10/402414610.db2.gz JLOYVUIWRKVYAC-DLBZAZTESA-N 1 3 303.450 2.351 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)C(C)(C)C[NH3+])N2CCCC2)cc1 ZINC000237776211 402420800 /nfs/dbraw/zinc/42/08/00/402420800.db2.gz NQZPXMXULASDJP-MRXNPFEDSA-N 1 3 303.450 2.233 20 0 DEADHO C[C@H]1CCC[C@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000162473805 402420924 /nfs/dbraw/zinc/42/09/24/402420924.db2.gz PJRMIQIHVSTFJT-HOTGVXAUSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](CNC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000245201996 402452214 /nfs/dbraw/zinc/45/22/14/402452214.db2.gz OKXCMRRHMFNYLR-HMDCTGQHSA-N 1 3 309.498 2.484 20 0 DEADHO C[C@H](CNC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000245201996 402452217 /nfs/dbraw/zinc/45/22/17/402452217.db2.gz OKXCMRRHMFNYLR-HMDCTGQHSA-N 1 3 309.498 2.484 20 0 DEADHO C[NH2+]C[C@H](C)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000163890055 402459072 /nfs/dbraw/zinc/45/90/72/402459072.db2.gz VUGKBZGGQSHXQH-HNNXBMFYSA-N 1 3 303.450 2.144 20 0 DEADHO CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)cc1 ZINC000245615608 402474246 /nfs/dbraw/zinc/47/42/46/402474246.db2.gz XUMHFTDGHGKREU-CKEIUWERSA-N 1 3 324.490 2.299 20 0 DEADHO CCN1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)CC)cc2)[C@@H](C)C1 ZINC000245618032 402474345 /nfs/dbraw/zinc/47/43/45/402474345.db2.gz ZBHUYKHJUQSBSW-WMLDXEAASA-N 1 3 324.490 2.300 20 0 DEADHO CCN1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)CC)cc2)[C@@H](C)C1 ZINC000245618041 402474634 /nfs/dbraw/zinc/47/46/34/402474634.db2.gz ZBHUYKHJUQSBSW-YOEHRIQHSA-N 1 3 324.490 2.300 20 0 DEADHO C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1(N2CCOCC2)CCCCC1 ZINC000165968848 402480816 /nfs/dbraw/zinc/48/08/16/402480816.db2.gz DTVOMMCOFNVWPO-ZWKOTPCHSA-N 1 3 321.509 2.238 20 0 DEADHO C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1(N2CCOCC2)CCCCC1 ZINC000165968848 402480817 /nfs/dbraw/zinc/48/08/17/402480817.db2.gz DTVOMMCOFNVWPO-ZWKOTPCHSA-N 1 3 321.509 2.238 20 0 DEADHO C[NH2+]C[C@@H](C)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000166328244 402483697 /nfs/dbraw/zinc/48/36/97/402483697.db2.gz APDPLYSJVNDBDG-NVXWUHKLSA-N 1 3 303.450 2.104 20 0 DEADHO Cc1ccc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c(OCCN(C)C)c1 ZINC000169087922 402500041 /nfs/dbraw/zinc/50/00/41/402500041.db2.gz IXIAIEHYQFKLIZ-CABCVRRESA-N 1 3 319.449 2.391 20 0 DEADHO C[C@H]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000178840771 402545578 /nfs/dbraw/zinc/54/55/78/402545578.db2.gz ANYZSXLASNXKBN-FUHWJXTLSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@@H]([NH3+])C1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000178868554 402548321 /nfs/dbraw/zinc/54/83/21/402548321.db2.gz FLJQAYAFSYNZDK-CRAIPNDOSA-N 1 3 315.461 2.237 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000247084698 402556121 /nfs/dbraw/zinc/55/61/21/402556121.db2.gz PKWUCJVRNQMKDP-OWCLPIDISA-N 1 3 310.486 2.033 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H]3CCC[C@H]32)CC1 ZINC000247567974 402572466 /nfs/dbraw/zinc/57/24/66/402572466.db2.gz RMBHBZNHMAFCDI-NVXWUHKLSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)N1CCCCC1 ZINC000246546811 402536116 /nfs/dbraw/zinc/53/61/16/402536116.db2.gz YKEOMCYFBYHXBL-GVDBMIGSSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H]1CCCN(C(=O)C2CC[NH+](CC[C@H]3CCCN3C)CC2)C1 ZINC000179404774 402588697 /nfs/dbraw/zinc/58/86/97/402588697.db2.gz QCRAAPBYQPBVFS-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO CCN(CCC[NH+](C)C)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000248726139 402605469 /nfs/dbraw/zinc/60/54/69/402605469.db2.gz URUJPNGHZKPPRF-CVEARBPZSA-N 1 3 312.502 2.090 20 0 DEADHO COC[C@@H]([NH2+]C[C@@H]1CCCN(CC(C)C)C1)C1CCOCC1 ZINC000249200144 402623020 /nfs/dbraw/zinc/62/30/20/402623020.db2.gz SRGZBTBJSFBNOK-FUHWJXTLSA-N 1 3 312.498 2.386 20 0 DEADHO COC[C@@H](NC[C@@H]1CCC[N@H+](CC(C)C)C1)C1CCOCC1 ZINC000249200144 402623023 /nfs/dbraw/zinc/62/30/23/402623023.db2.gz SRGZBTBJSFBNOK-FUHWJXTLSA-N 1 3 312.498 2.386 20 0 DEADHO COC[C@@H](NC[C@@H]1CCC[N@@H+](CC(C)C)C1)C1CCOCC1 ZINC000249200144 402623025 /nfs/dbraw/zinc/62/30/25/402623025.db2.gz SRGZBTBJSFBNOK-FUHWJXTLSA-N 1 3 312.498 2.386 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CCOCC2)CCN1C ZINC000180740092 402624279 /nfs/dbraw/zinc/62/42/79/402624279.db2.gz VJDNGZPDQAETEX-DLBZAZTESA-N 1 3 309.498 2.094 20 0 DEADHO CC[C@@H](C)[C@H]([NH3+])C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000182687664 402708854 /nfs/dbraw/zinc/70/88/54/402708854.db2.gz MBZPVIZBNUPOGE-KEYYUXOJSA-N 1 3 318.465 2.097 20 0 DEADHO C[NH2+]CCC(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000262583033 402727727 /nfs/dbraw/zinc/72/77/27/402727727.db2.gz UUUYIXYZXFOUQA-KRWDZBQOSA-N 1 3 317.477 2.185 20 0 DEADHO CCCC[N@H+](C)CC1CCN([C@@H]2CCN(C(C)C)C2=O)CC1 ZINC000175110276 402780360 /nfs/dbraw/zinc/78/03/60/402780360.db2.gz JXBWENCTJDFKPK-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CCCC[N@@H+](C)CC1CCN([C@@H]2CCN(C(C)C)C2=O)CC1 ZINC000175110276 402780362 /nfs/dbraw/zinc/78/03/62/402780362.db2.gz JXBWENCTJDFKPK-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO C[NH+]1CCC(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000174453212 402741999 /nfs/dbraw/zinc/74/19/99/402741999.db2.gz JQCITEPUWTVZMH-SFHVURJKSA-N 1 3 315.461 2.282 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnccc2N(C)C)C[C@H](C)O1 ZINC000183304161 402754649 /nfs/dbraw/zinc/75/46/49/402754649.db2.gz NUTPTUNMLUUNTG-IYBDPMFKSA-N 1 3 320.481 2.127 20 0 DEADHO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H](C)N2CCCCCC2)C1 ZINC000174757121 402755589 /nfs/dbraw/zinc/75/55/89/402755589.db2.gz LFCNQVHGOWAYLR-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C[C@H](N)c1ccccc1 ZINC000263367905 402762979 /nfs/dbraw/zinc/76/29/79/402762979.db2.gz WTAKZQWBKCCTNI-VYDXJSESSA-N 1 3 303.450 2.313 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C[C@H](N)c1ccccc1 ZINC000263367905 402762981 /nfs/dbraw/zinc/76/29/81/402762981.db2.gz WTAKZQWBKCCTNI-VYDXJSESSA-N 1 3 303.450 2.313 20 0 DEADHO c1c2ccccc2sc1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262155216 402722673 /nfs/dbraw/zinc/72/26/73/402722673.db2.gz RURKXPYTRPLHFL-HNNXBMFYSA-N 1 3 301.459 2.381 20 0 DEADHO C[C@H](CC[NH+](C)C)NC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000271762808 402883934 /nfs/dbraw/zinc/88/39/34/402883934.db2.gz BLEACSMUOLUVFB-CVEARBPZSA-N 1 3 320.481 2.146 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281233520 403061436 /nfs/dbraw/zinc/06/14/36/403061436.db2.gz MNRABAGBTSADTF-GOSISDBHSA-N 1 3 320.456 2.289 20 0 DEADHO CC[NH+](CC)CCOCCN(Cc1ccccc1)C[C@@H](C)O ZINC000281458008 403068920 /nfs/dbraw/zinc/06/89/20/403068920.db2.gz VBRISFBGEBCOBK-QGZVFWFLSA-N 1 3 308.466 2.228 20 0 DEADHO C[C@H]1C[C@@H](NCCC(=O)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000268808387 403116264 /nfs/dbraw/zinc/11/62/64/403116264.db2.gz LLWZLPCMZOSVLD-RDJZCZTQSA-N 1 3 303.450 2.107 20 0 DEADHO C[C@H]1C[C@@H](NCCC(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000268808387 403116266 /nfs/dbraw/zinc/11/62/66/403116266.db2.gz LLWZLPCMZOSVLD-RDJZCZTQSA-N 1 3 303.450 2.107 20 0 DEADHO C[C@@H](NC(=O)[C@@H](C)N1CCC(CC[NH3+])CC1)c1ccc(F)cc1 ZINC000566743582 292265714 /nfs/dbraw/zinc/26/57/14/292265714.db2.gz VAVRKHWFHSAPRO-ZIAGYGMSSA-N 1 3 321.440 2.452 20 0 DEADHO CN1CCN(CC[NH2+][C@H]2CCc3ccccc3C2)CC1(C)C ZINC000282320336 403142821 /nfs/dbraw/zinc/14/28/21/403142821.db2.gz KZLZJQQJKHZPAD-SFHVURJKSA-N 1 3 301.478 2.160 20 0 DEADHO Cc1ccc(NC(=O)CC[C@@H]2CCC[NH2+]2)c(OCCN(C)C)c1 ZINC000292119720 403298131 /nfs/dbraw/zinc/29/81/31/403298131.db2.gz QHBSDRYGBNLRKI-HNNXBMFYSA-N 1 3 319.449 2.406 20 0 DEADHO CCN(CCO)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000270986408 403249544 /nfs/dbraw/zinc/24/95/44/403249544.db2.gz FUTJGJDAYNGYHF-UHFFFAOYSA-N 1 3 305.466 2.031 20 0 DEADHO CC[N@@H+]1C[C@H](C)[C@H](N[C@@H](CN(C)C)c2ccc(OC)cc2)C1 ZINC000342800103 403354273 /nfs/dbraw/zinc/35/42/73/403354273.db2.gz QPOZUXACRBLNNW-QGTPRVQTSA-N 1 3 305.466 2.228 20 0 DEADHO CC[N@H+]1C[C@H](C)[C@H](N[C@@H](CN(C)C)c2ccc(OC)cc2)C1 ZINC000342800103 403354276 /nfs/dbraw/zinc/35/42/76/403354276.db2.gz QPOZUXACRBLNNW-QGTPRVQTSA-N 1 3 305.466 2.228 20 0 DEADHO CCN(Cc1ccc(C(=O)NC[C@H]2CC[NH2+]C2)cc1)C1CC1 ZINC000342747933 403333110 /nfs/dbraw/zinc/33/31/10/403333110.db2.gz WVSGIGVRVVEAAA-HNNXBMFYSA-N 1 3 301.434 2.010 20 0 DEADHO COCCOc1ccc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000292784157 403377814 /nfs/dbraw/zinc/37/78/14/403377814.db2.gz LUUOVGMUTWEFPK-SFHVURJKSA-N 1 3 304.434 2.239 20 0 DEADHO COCCOc1ccc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000292784157 403377818 /nfs/dbraw/zinc/37/78/18/403377818.db2.gz LUUOVGMUTWEFPK-SFHVURJKSA-N 1 3 304.434 2.239 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000345679301 403433311 /nfs/dbraw/zinc/43/33/11/403433311.db2.gz WSNOTOVHPSOWOW-INMHGKMJSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000345679301 403433313 /nfs/dbraw/zinc/43/33/13/403433313.db2.gz WSNOTOVHPSOWOW-INMHGKMJSA-N 1 3 307.482 2.240 20 0 DEADHO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H](N)CC(F)F)cc21 ZINC000345717074 403451848 /nfs/dbraw/zinc/45/18/48/403451848.db2.gz RLZBQJRCUWXBSV-ZDUSSCGKSA-N 1 3 324.375 2.124 20 0 DEADHO C[C@H]1[C@H](NC(=O)N2CCN(CCC(C)(C)C)CC2)CCC[N@@H+]1C ZINC000345750790 403469217 /nfs/dbraw/zinc/46/92/17/403469217.db2.gz OKWOLFMEDVLILY-JKSUJKDBSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H]1[C@H](NC(=O)N2CCN(CCC(C)(C)C)CC2)CCC[N@H+]1C ZINC000345750790 403469222 /nfs/dbraw/zinc/46/92/22/403469222.db2.gz OKWOLFMEDVLILY-JKSUJKDBSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H]1[C@H](NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CCCN1C ZINC000345753743 403470390 /nfs/dbraw/zinc/47/03/90/403470390.db2.gz QPXVVCJWSUZYDF-BRWVUGGUSA-N 1 3 322.497 2.129 20 0 DEADHO CC[NH+](CC)CCCNC(=O)c1ccccc1OCCN(C)C ZINC000298898366 403482726 /nfs/dbraw/zinc/48/27/26/403482726.db2.gz AUISMUFNOKKAPL-UHFFFAOYSA-N 1 3 321.465 2.089 20 0 DEADHO CC[NH+](CC)CCOc1ccc(C(=O)NC[C@H](C)N(C)C)cc1 ZINC000298919376 403485738 /nfs/dbraw/zinc/48/57/38/403485738.db2.gz BGYMEICKWJIVRX-HNNXBMFYSA-N 1 3 321.465 2.087 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCC1=CCN(C)CC1 ZINC000343468188 403603243 /nfs/dbraw/zinc/60/32/43/403603243.db2.gz DTRYBABANXWNHK-MRXNPFEDSA-N 1 3 322.497 2.202 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCC1=CCN(C)CC1 ZINC000343468188 403603248 /nfs/dbraw/zinc/60/32/48/403603248.db2.gz DTRYBABANXWNHK-MRXNPFEDSA-N 1 3 322.497 2.202 20 0 DEADHO C[NH+](C)Cc1cccc(CN[C@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000293770398 403558960 /nfs/dbraw/zinc/55/89/60/403558960.db2.gz ZUASXFQLSOOVPY-IRXDYDNUSA-N 1 3 324.490 2.194 20 0 DEADHO C[NH+](C)Cc1cccc(CN[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000293770394 403559266 /nfs/dbraw/zinc/55/92/66/403559266.db2.gz ZUASXFQLSOOVPY-IAGOWNOFSA-N 1 3 324.490 2.194 20 0 DEADHO C[C@H](CNC[C@H]1C[NH2+]C[C@@H]1O)Cc1ccc(C(C)(C)C)cc1 ZINC000345992267 403562577 /nfs/dbraw/zinc/56/25/77/403562577.db2.gz APKJUAXUADDDEP-ZVZYQTTQSA-N 1 3 304.478 2.333 20 0 DEADHO C[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(-n2ccnn2)c1 ZINC000287265315 403562782 /nfs/dbraw/zinc/56/27/82/403562782.db2.gz APHJQPPMFWOBDJ-CABCVRRESA-N 1 3 311.433 2.402 20 0 DEADHO C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(-n2ccnn2)c1 ZINC000287265315 403562783 /nfs/dbraw/zinc/56/27/83/403562783.db2.gz APHJQPPMFWOBDJ-CABCVRRESA-N 1 3 311.433 2.402 20 0 DEADHO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300219923 403582573 /nfs/dbraw/zinc/58/25/73/403582573.db2.gz ZVRPWZWEQLAXEW-RFBLXINOSA-N 1 3 321.465 2.068 20 0 DEADHO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300219923 403582576 /nfs/dbraw/zinc/58/25/76/403582576.db2.gz ZVRPWZWEQLAXEW-RFBLXINOSA-N 1 3 321.465 2.068 20 0 DEADHO COc1ccc([C@@H](NCC2=CCN(C)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423018449 286359024 /nfs/dbraw/zinc/35/90/24/286359024.db2.gz QXQJGMNEERHBSP-RBUKOAKNSA-N 1 3 315.461 2.340 20 0 DEADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000566967816 292280129 /nfs/dbraw/zinc/28/01/29/292280129.db2.gz JXMZECFGPRMPSC-NILFDRSVSA-N 1 3 314.376 2.172 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCc1ccc(OC(F)F)cc1 ZINC000566967816 292280130 /nfs/dbraw/zinc/28/01/30/292280130.db2.gz JXMZECFGPRMPSC-NILFDRSVSA-N 1 3 314.376 2.172 20 0 DEADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC[C@@H]2CCSC2)cc1 ZINC000414892664 286363025 /nfs/dbraw/zinc/36/30/25/286363025.db2.gz XHIFKDLXBOHHEU-RRQGHBQHSA-N 1 3 306.475 2.483 20 0 DEADHO C[C@H]1C[C@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)CCN1C ZINC000340857140 403676736 /nfs/dbraw/zinc/67/67/36/403676736.db2.gz FZYVSBBIXCJFNJ-LSDHHAIUSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000347386385 403689547 /nfs/dbraw/zinc/68/95/47/403689547.db2.gz YGADVKHHYFMHGK-BFYDXBDKSA-N 1 3 307.482 2.050 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000347386385 403689549 /nfs/dbraw/zinc/68/95/49/403689549.db2.gz YGADVKHHYFMHGK-BFYDXBDKSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)(C)[S@](=O)CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000294323390 403703452 /nfs/dbraw/zinc/70/34/52/403703452.db2.gz WXQHSMLFMBYQFD-OAQYLSRUSA-N 1 3 309.479 2.187 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)NCC2([NH+](C)C)CCCCCC2)CCN1C ZINC000340984070 403723195 /nfs/dbraw/zinc/72/31/95/403723195.db2.gz AIWMYGRGWNISLN-HOTGVXAUSA-N 1 3 324.513 2.423 20 0 DEADHO CC[NH+]1CCC(NC(=O)Nc2ccc3c(c2F)CCNC3)CC1 ZINC000333359476 403733651 /nfs/dbraw/zinc/73/36/51/403733651.db2.gz SPGAIGPOFXMMHC-UHFFFAOYSA-N 1 3 320.412 2.077 20 0 DEADHO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccc2c(c1)CNC2 ZINC000347516185 403738218 /nfs/dbraw/zinc/73/82/18/403738218.db2.gz LFWKCMZVTCYIOB-SFHVURJKSA-N 1 3 313.445 2.284 20 0 DEADHO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc2c(c1)CNC2 ZINC000347516185 403738221 /nfs/dbraw/zinc/73/82/21/403738221.db2.gz LFWKCMZVTCYIOB-SFHVURJKSA-N 1 3 313.445 2.284 20 0 DEADHO NC[C@H](NC(=O)[C@]12CCC[C@@H]1C[NH2+]C2)c1ccc2ccccc2c1 ZINC000295104339 403761613 /nfs/dbraw/zinc/76/16/13/403761613.db2.gz VIXRGRPTMUFXHO-HBFSDRIKSA-N 1 3 323.440 2.346 20 0 DEADHO CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000341195760 403820600 /nfs/dbraw/zinc/82/06/00/403820600.db2.gz IETRWDUDOJTMJA-WBVHZDCISA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCN1CCC[C@H](C)C1 ZINC000351637484 403821144 /nfs/dbraw/zinc/82/11/44/403821144.db2.gz VNSQJXITCCCAJC-HOTGVXAUSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)Nc2cccc(CN(C)C)c2)CC[N@@H+]1C ZINC000341202542 403828172 /nfs/dbraw/zinc/82/81/72/403828172.db2.gz MWAQKEZZNGQJEO-CZUORRHYSA-N 1 3 304.438 2.352 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)Nc2cccc(CN(C)C)c2)CC[N@H+]1C ZINC000341202542 403828174 /nfs/dbraw/zinc/82/81/74/403828174.db2.gz MWAQKEZZNGQJEO-CZUORRHYSA-N 1 3 304.438 2.352 20 0 DEADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CCN1C ZINC000341165739 403803576 /nfs/dbraw/zinc/80/35/76/403803576.db2.gz NWWYDTDWHQDUAH-INMHGKMJSA-N 1 3 322.497 2.127 20 0 DEADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CCN1C ZINC000341165739 403803580 /nfs/dbraw/zinc/80/35/80/403803580.db2.gz NWWYDTDWHQDUAH-INMHGKMJSA-N 1 3 322.497 2.127 20 0 DEADHO CC(C)N1CCCN(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000341215433 403839818 /nfs/dbraw/zinc/83/98/18/403839818.db2.gz SGOLJRQYVGUWQF-SJORKVTESA-N 1 3 324.513 2.375 20 0 DEADHO CC(C)N1CCCN(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000341215433 403839825 /nfs/dbraw/zinc/83/98/25/403839825.db2.gz SGOLJRQYVGUWQF-SJORKVTESA-N 1 3 324.513 2.375 20 0 DEADHO CN1CCC[C@]2(CCN(C(=O)N[C@H](C[NH3+])C3CCCCC3)C2)C1 ZINC000333764012 403851446 /nfs/dbraw/zinc/85/14/46/403851446.db2.gz AXAKFMZMAKHLDX-AEFFLSMTSA-N 1 3 322.497 2.021 20 0 DEADHO Cc1cc(N2CCC(N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)n[nH]1 ZINC000333809950 403869285 /nfs/dbraw/zinc/86/92/85/403869285.db2.gz JCFQEGHPBYPFRH-BRWVUGGUSA-N 1 3 317.481 2.197 20 0 DEADHO CCn1nc(C)c(CNCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000295377296 403890157 /nfs/dbraw/zinc/89/01/57/403890157.db2.gz KCZOARVHMMZNDX-UHFFFAOYSA-N 1 3 314.437 2.008 20 0 DEADHO CCc1nc2c(s1)[C@H]([NH2+]CC1(O)CCN(C)CC1)CCC2 ZINC000361880329 403908060 /nfs/dbraw/zinc/90/80/60/403908060.db2.gz LULNWQGMWMUTHD-GFCCVEGCSA-N 1 3 309.479 2.129 20 0 DEADHO CCO[C@@H]1C[C@@H](NC[C@H](O)C[NH+]2CCC(C)CC2)C12CCCC2 ZINC000344112566 403917088 /nfs/dbraw/zinc/91/70/88/403917088.db2.gz UUUKSMPIIXPQCC-RCCFBDPRSA-N 1 3 324.509 2.407 20 0 DEADHO CCOC(C[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1)OCC ZINC000369102622 403966619 /nfs/dbraw/zinc/96/66/19/403966619.db2.gz VBGYJGMQNHHISH-HDICACEKSA-N 1 3 318.461 2.449 20 0 DEADHO CCOC(C[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1)OCC ZINC000369102622 403966623 /nfs/dbraw/zinc/96/66/23/403966623.db2.gz VBGYJGMQNHHISH-HDICACEKSA-N 1 3 318.461 2.449 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000351826281 403945485 /nfs/dbraw/zinc/94/54/85/403945485.db2.gz BGWMACUQUCHGJU-MAUKXSAKSA-N 1 3 315.461 2.094 20 0 DEADHO CO[C@H]1C[C@@H](CO)N(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411709399 403946426 /nfs/dbraw/zinc/94/64/26/403946426.db2.gz RMUXDYBNXJGOTD-OALUTQOASA-N 1 3 318.461 2.254 20 0 DEADHO O[C@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)COc1ccc(Cl)cc1 ZINC000314576162 403998427 /nfs/dbraw/zinc/99/84/27/403998427.db2.gz OTVWSNMQRALFLD-CZUORRHYSA-N 1 3 324.852 2.154 20 0 DEADHO O[C@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)COc1ccc(Cl)cc1 ZINC000314576162 403998431 /nfs/dbraw/zinc/99/84/31/403998431.db2.gz OTVWSNMQRALFLD-CZUORRHYSA-N 1 3 324.852 2.154 20 0 DEADHO O[C@H](CNC[C@H]1CC[N@H+](C2CC2)C1)COc1ccc(Cl)cc1 ZINC000314576162 403998439 /nfs/dbraw/zinc/99/84/39/403998439.db2.gz OTVWSNMQRALFLD-CZUORRHYSA-N 1 3 324.852 2.154 20 0 DEADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000362596959 403972524 /nfs/dbraw/zinc/97/25/24/403972524.db2.gz SEMHYBDANAVNQA-WBVHZDCISA-N 1 3 309.498 2.155 20 0 DEADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000362596959 403972530 /nfs/dbraw/zinc/97/25/30/403972530.db2.gz SEMHYBDANAVNQA-WBVHZDCISA-N 1 3 309.498 2.155 20 0 DEADHO CC(C)(CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCCCC1 ZINC000337542942 404087968 /nfs/dbraw/zinc/08/79/68/404087968.db2.gz KMBRBSNBUARXJX-CVEARBPZSA-N 1 3 322.497 2.177 20 0 DEADHO CC(C)(CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CCCCC1 ZINC000337542942 404087974 /nfs/dbraw/zinc/08/79/74/404087974.db2.gz KMBRBSNBUARXJX-CVEARBPZSA-N 1 3 322.497 2.177 20 0 DEADHO CCC[NH2+][C@@H](C)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000296091370 404088388 /nfs/dbraw/zinc/08/83/88/404088388.db2.gz RFSNYUZEYREBEK-INIZCTEOSA-N 1 3 317.477 2.498 20 0 DEADHO C[C@@H](NC1CC1)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000295978150 404036326 /nfs/dbraw/zinc/03/63/26/404036326.db2.gz JCWARZIQRRQURF-CYBMUJFWSA-N 1 3 316.449 2.272 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000363067354 404062075 /nfs/dbraw/zinc/06/20/75/404062075.db2.gz GGVYSLHZDZOZKW-DLBZAZTESA-N 1 3 316.449 2.497 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000363067354 404062079 /nfs/dbraw/zinc/06/20/79/404062079.db2.gz GGVYSLHZDZOZKW-DLBZAZTESA-N 1 3 316.449 2.497 20 0 DEADHO C[C@@H](CNC[C@H](O)COCc1ccccc1F)C[NH+]1CCCC1 ZINC000320704918 404069187 /nfs/dbraw/zinc/06/91/87/404069187.db2.gz JDEZNSLGMKXCRB-RDJZCZTQSA-N 1 3 324.440 2.025 20 0 DEADHO C[C@@H](C[NH2+]C[C@H](O)COCc1ccccc1F)CN1CCCC1 ZINC000320704918 404069190 /nfs/dbraw/zinc/06/91/90/404069190.db2.gz JDEZNSLGMKXCRB-RDJZCZTQSA-N 1 3 324.440 2.025 20 0 DEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCc2ccccc2C1 ZINC000321093161 404073600 /nfs/dbraw/zinc/07/36/00/404073600.db2.gz NTWWVYNPVSDVGQ-PMACEKPBSA-N 1 3 310.441 2.366 20 0 DEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCc2ccccc2C1 ZINC000321093161 404073604 /nfs/dbraw/zinc/07/36/04/404073604.db2.gz NTWWVYNPVSDVGQ-PMACEKPBSA-N 1 3 310.441 2.366 20 0 DEADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCCc2ccccc2C1 ZINC000321093161 404073610 /nfs/dbraw/zinc/07/36/10/404073610.db2.gz NTWWVYNPVSDVGQ-PMACEKPBSA-N 1 3 310.441 2.366 20 0 DEADHO CCN1CCC([NH2+]CC2(N3CCCCC3)CCOCC2)CC1 ZINC000341690086 404112567 /nfs/dbraw/zinc/11/25/67/404112567.db2.gz MYAWGSLRDCOPRG-UHFFFAOYSA-N 1 3 309.498 2.095 20 0 DEADHO C[C@H](C[N@H+](C)CC1CC(C)(C)C1)NC(=O)CN1CC[C@H](C)C1 ZINC001422876608 1172892635 /nfs/dbraw/zinc/89/26/35/1172892635.db2.gz LWXGUIXGFVKFHH-LSDHHAIUSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@H](C[N@@H+](C)CC1CC(C)(C)C1)NC(=O)CN1CC[C@H](C)C1 ZINC001422876608 1172892637 /nfs/dbraw/zinc/89/26/37/1172892637.db2.gz LWXGUIXGFVKFHH-LSDHHAIUSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)/C=C/CN(C)C)C1 ZINC000363238944 404125125 /nfs/dbraw/zinc/12/51/25/404125125.db2.gz MRKQMKKYXVSZPS-CFMJQPPZSA-N 1 3 307.482 2.217 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)/C=C/CN(C)C)C1 ZINC000363238944 404125130 /nfs/dbraw/zinc/12/51/30/404125130.db2.gz MRKQMKKYXVSZPS-CFMJQPPZSA-N 1 3 307.482 2.217 20 0 DEADHO CN(C)C/C=C/C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000369575027 404148559 /nfs/dbraw/zinc/14/85/59/404148559.db2.gz XJNQAZBCUVXSQH-VMSUTVGLSA-N 1 3 307.482 2.219 20 0 DEADHO COc1cc(OC)c(OC)cc1C[N@H+](C)[C@@H]1CCN(C)C[C@@H]1C ZINC000290496696 404192349 /nfs/dbraw/zinc/19/23/49/404192349.db2.gz OWAJCWOXRYQSTB-DZGCQCFKSA-N 1 3 322.449 2.484 20 0 DEADHO COc1cc(OC)c(OC)cc1C[N@@H+](C)[C@@H]1CCN(C)C[C@@H]1C ZINC000290496696 404192352 /nfs/dbraw/zinc/19/23/52/404192352.db2.gz OWAJCWOXRYQSTB-DZGCQCFKSA-N 1 3 322.449 2.484 20 0 DEADHO C[C@@H](C(=O)N1CCCC12CCN(C)CC2)[NH+]1[C@H](C)CC[C@H]1C ZINC000412230807 404199829 /nfs/dbraw/zinc/19/98/29/404199829.db2.gz SHCPUWXLDRDQJM-OAGGEKHMSA-N 1 3 307.482 2.335 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000344530931 404208701 /nfs/dbraw/zinc/20/87/01/404208701.db2.gz BNJYKCXXOHZWEB-ZACQAIPSSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000344530931 404208703 /nfs/dbraw/zinc/20/87/03/404208703.db2.gz BNJYKCXXOHZWEB-ZACQAIPSSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)N1CCCCC1 ZINC000352322294 404288100 /nfs/dbraw/zinc/28/81/00/404288100.db2.gz KTCWNFSHHRVJBF-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCN(C)CCN1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000355474894 404339743 /nfs/dbraw/zinc/33/97/43/404339743.db2.gz JDOWUKIWGPWDHD-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H]1CCN(C)CCN1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000355474894 404339754 /nfs/dbraw/zinc/33/97/54/404339754.db2.gz JDOWUKIWGPWDHD-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H](C)CC[NH+](C)C)c1ccco1 ZINC000352341611 404300487 /nfs/dbraw/zinc/30/04/87/404300487.db2.gz ZBAZQIYKWRHHQC-SOUVJXGZSA-N 1 3 324.469 2.348 20 0 DEADHO C[C@H]1CCN(C)CCN1C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000342029850 404324014 /nfs/dbraw/zinc/32/40/14/404324014.db2.gz YBTAJVVMWZOWOO-LSDHHAIUSA-N 1 3 312.502 2.088 20 0 DEADHO CCN(CCNC(=O)N1CCC([NH+]2CCCCC2)CC1)C1CC1 ZINC000338531231 404384442 /nfs/dbraw/zinc/38/44/42/404384442.db2.gz QYBVDBGVJFOXCV-UHFFFAOYSA-N 1 3 322.497 2.131 20 0 DEADHO C[NH+](C)CCOc1ccc(CCN[C@@H]2CCn3ccnc32)cc1 ZINC000297864253 404644964 /nfs/dbraw/zinc/64/49/64/404644964.db2.gz UGRAKGJWIRCZIN-QGZVFWFLSA-N 1 3 314.433 2.101 20 0 DEADHO CC(=O)NCCc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000356674116 404650623 /nfs/dbraw/zinc/65/06/23/404650623.db2.gz APHGPVHKFHXYET-YZVOILCLSA-N 1 3 317.477 2.499 20 0 DEADHO CC(=O)NCCc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000356674116 404650626 /nfs/dbraw/zinc/65/06/26/404650626.db2.gz APHGPVHKFHXYET-YZVOILCLSA-N 1 3 317.477 2.499 20 0 DEADHO C[C@@H]1C[C@H](CN2CCN(C(=O)CCC3CCCC3)CC2)CC[NH2+]1 ZINC000414676458 404705707 /nfs/dbraw/zinc/70/57/07/404705707.db2.gz NKSJMRYCLMNBFF-SJLPKXTDSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)[N@@H+](Cc1ccccc1F)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414676523 404706019 /nfs/dbraw/zinc/70/60/19/404706019.db2.gz NQANVQKVHNTYQJ-OAHLLOKOSA-N 1 3 321.440 2.233 20 0 DEADHO CC(C)[N@H+](Cc1ccccc1F)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414676523 404706020 /nfs/dbraw/zinc/70/60/20/404706020.db2.gz NQANVQKVHNTYQJ-OAHLLOKOSA-N 1 3 321.440 2.233 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2c2ccccc2)C1 ZINC000414677270 404706048 /nfs/dbraw/zinc/70/60/48/404706048.db2.gz ITAVQAAJMNWOHH-WBVHZDCISA-N 1 3 301.434 2.021 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]2c2ccccc2)C1 ZINC000414677270 404706050 /nfs/dbraw/zinc/70/60/50/404706050.db2.gz ITAVQAAJMNWOHH-WBVHZDCISA-N 1 3 301.434 2.021 20 0 DEADHO CCC[C@@H](C)NC(=O)[C@H](C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374163270 404700191 /nfs/dbraw/zinc/70/01/91/404700191.db2.gz PDGBBUQKCLJQGT-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO COc1cc2c(cc1CN1CCC[C@H]([C@H]3CC[NH2+]C3)C1)OCO2 ZINC000414783532 404734060 /nfs/dbraw/zinc/73/40/60/404734060.db2.gz PZDSGVDHPIGTIA-KBPBESRZSA-N 1 3 318.417 2.245 20 0 DEADHO CC(C)[C@@H]([NH3+])CNCc1ccccc1N(C)C1CCN(C)CC1 ZINC000414789608 404736010 /nfs/dbraw/zinc/73/60/10/404736010.db2.gz FMLQSFMPTHHLOI-SFHVURJKSA-N 1 3 318.509 2.290 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000365893774 404740817 /nfs/dbraw/zinc/74/08/17/404740817.db2.gz IBUCHXCAAGKHAY-MRXNPFEDSA-N 1 3 315.461 2.495 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000365893774 404740818 /nfs/dbraw/zinc/74/08/18/404740818.db2.gz IBUCHXCAAGKHAY-MRXNPFEDSA-N 1 3 315.461 2.495 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](C)N1CCCCCC1 ZINC000357796603 404743370 /nfs/dbraw/zinc/74/33/70/404743370.db2.gz POZIDGIYTNURKS-IKGGRYGDSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](C)N1CCCCCC1 ZINC000357796603 404743372 /nfs/dbraw/zinc/74/33/72/404743372.db2.gz POZIDGIYTNURKS-IKGGRYGDSA-N 1 3 309.498 2.488 20 0 DEADHO COc1cccc(CNCC[C@H]2CC[NH2+]C2)c1OC(F)F ZINC000414831337 404744035 /nfs/dbraw/zinc/74/40/35/404744035.db2.gz NDROTRQSLOYEAQ-LLVKDONJSA-N 1 3 300.349 2.386 20 0 DEADHO COc1cccc(NC(=O)C[C@@H](C)NC[C@]2(C)CCC[NH2+]C2)c1 ZINC000414918562 404765630 /nfs/dbraw/zinc/76/56/30/404765630.db2.gz UVOBXLGGROBFIE-RDTXWAMCSA-N 1 3 319.449 2.392 20 0 DEADHO COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@]2(C)CCCNC2)c1 ZINC000414918562 404765634 /nfs/dbraw/zinc/76/56/34/404765634.db2.gz UVOBXLGGROBFIE-RDTXWAMCSA-N 1 3 319.449 2.392 20 0 DEADHO C[C@@H](CC(=O)NCCc1ccccc1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414918734 404766647 /nfs/dbraw/zinc/76/66/47/404766647.db2.gz VBVGWYJAJFPMJH-LPHOPBHVSA-N 1 3 317.477 2.103 20 0 DEADHO C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414918734 404766652 /nfs/dbraw/zinc/76/66/52/404766652.db2.gz VBVGWYJAJFPMJH-LPHOPBHVSA-N 1 3 317.477 2.103 20 0 DEADHO CSC1(CNCc2cnn3ccccc23)CC[NH+](C)CC1 ZINC000353195535 404766772 /nfs/dbraw/zinc/76/67/72/404766772.db2.gz RVHZSNPGPKYKDD-UHFFFAOYSA-N 1 3 304.463 2.251 20 0 DEADHO CSC1(C[NH2+]Cc2cnn3ccccc23)CCN(C)CC1 ZINC000353195535 404766774 /nfs/dbraw/zinc/76/67/74/404766774.db2.gz RVHZSNPGPKYKDD-UHFFFAOYSA-N 1 3 304.463 2.251 20 0 DEADHO CC(C)C[C@@H]([NH3+])CN1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000414684141 404708123 /nfs/dbraw/zinc/70/81/23/404708123.db2.gz CQGPSTXJNVXYBJ-SOLBZPMBSA-N 1 3 311.514 2.181 20 0 DEADHO CC[C@@H](Cc1ccccc1)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414718247 404716476 /nfs/dbraw/zinc/71/64/76/404716476.db2.gz ZAURLILJORMRRY-MSOLQXFVSA-N 1 3 317.477 2.137 20 0 DEADHO CC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414718247 404716477 /nfs/dbraw/zinc/71/64/77/404716477.db2.gz ZAURLILJORMRRY-MSOLQXFVSA-N 1 3 317.477 2.137 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)CCN(C)C1CC1 ZINC000353027266 404725785 /nfs/dbraw/zinc/72/57/85/404725785.db2.gz MWCPKZSMCLQRGX-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(C)CCN(C)C1CC1 ZINC000353027266 404725786 /nfs/dbraw/zinc/72/57/86/404725786.db2.gz MWCPKZSMCLQRGX-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO COc1cc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)cc(OC)c1O ZINC000414766003 404727913 /nfs/dbraw/zinc/72/79/13/404727913.db2.gz HBFVLVCHDLFPJI-OAHLLOKOSA-N 1 3 320.433 2.231 20 0 DEADHO COc1cc(OC)c(OC)cc1CNCCC[C@@H]1CCC[NH2+]1 ZINC000414960816 404777100 /nfs/dbraw/zinc/77/71/00/404777100.db2.gz ASUUCYKRAQSPCB-CQSZACIVSA-N 1 3 308.422 2.334 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H]2CCCN2CC)[C@@H](C)C1 ZINC000359574547 404797376 /nfs/dbraw/zinc/79/73/76/404797376.db2.gz BHMBHYKJESDISH-BZSNNMDCSA-N 1 3 311.514 2.197 20 0 DEADHO C[C@@H]1C[C@@H](CN[C@@H]2CCN(c3ccccc3Cl)C2=O)CC[NH2+]1 ZINC000415076540 404802289 /nfs/dbraw/zinc/80/22/89/404802289.db2.gz CVQJHJUNDFYAFC-VNHYZAJKSA-N 1 3 321.852 2.423 20 0 DEADHO C[C@H]([C@H](C)N[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)N1CCOCC1 ZINC000415085647 404804110 /nfs/dbraw/zinc/80/41/10/404804110.db2.gz SWICSYUULQTBRF-QFHJOOASSA-N 1 3 317.477 2.179 20 0 DEADHO F[C@H]1C[C@@H](CNC[C@@H]2CCC[NH2+]C2)N(Cc2cccs2)C1 ZINC000415107436 404808966 /nfs/dbraw/zinc/80/89/66/404808966.db2.gz OTMJBILWSLJEAU-ILXRZTDVSA-N 1 3 311.470 2.250 20 0 DEADHO C[C@@H](C[NH3+])NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415304242 404843481 /nfs/dbraw/zinc/84/34/81/404843481.db2.gz FQZCTKLMZWYDFL-AWEZNQCLSA-N 1 3 320.437 2.020 20 0 DEADHO CC[NH+](CC)CCNC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000360923442 404853058 /nfs/dbraw/zinc/85/30/58/404853058.db2.gz BRLWRWIBKQLPFI-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)C1(C)CC1 ZINC000360942765 404857731 /nfs/dbraw/zinc/85/77/31/404857731.db2.gz QRKKARRSPXXFHK-INIZCTEOSA-N 1 3 302.466 2.372 20 0 DEADHO C[NH2+]Cc1ccccc1NC(=O)N1CCN(C2CCCC2)CC1 ZINC000415900761 404965636 /nfs/dbraw/zinc/96/56/36/404965636.db2.gz LZTOSBSWAARZST-UHFFFAOYSA-N 1 3 316.449 2.498 20 0 DEADHO [NH3+]C1(CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)CCC1 ZINC000416841371 404930460 /nfs/dbraw/zinc/93/04/60/404930460.db2.gz LUUSXCJQKWWPDS-ZDUSSCGKSA-N 1 3 322.478 2.066 20 0 DEADHO C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)[C@H](C)CN1 ZINC000415782426 404941395 /nfs/dbraw/zinc/94/13/95/404941395.db2.gz FBAHEONPIYTUFE-XNJGSVPQSA-N 1 3 316.449 2.450 20 0 DEADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415998859 405002194 /nfs/dbraw/zinc/00/21/94/405002194.db2.gz UAVRNGGFRLMGII-ZDUSSCGKSA-N 1 3 302.422 2.095 20 0 DEADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415998859 405002196 /nfs/dbraw/zinc/00/21/96/405002196.db2.gz UAVRNGGFRLMGII-ZDUSSCGKSA-N 1 3 302.422 2.095 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000416001014 405002772 /nfs/dbraw/zinc/00/27/72/405002772.db2.gz YIWDPMGNRVKBCA-MRXNPFEDSA-N 1 3 302.422 2.238 20 0 DEADHO CCC[NH2+]CCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000417042110 405014335 /nfs/dbraw/zinc/01/43/35/405014335.db2.gz WRMQPJNRMUDKRN-KRWDZBQOSA-N 1 3 318.465 2.122 20 0 DEADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1cccc(CN(C)C)c1 ZINC000417068735 405025769 /nfs/dbraw/zinc/02/57/69/405025769.db2.gz OAPIUSKFBZQWIC-RHSMWYFYSA-N 1 3 318.465 2.160 20 0 DEADHO C[C@H](C[C@@H]1COCCN1)[NH2+]CC[C@@H](C)N(C)Cc1ccccc1 ZINC000379651146 405028305 /nfs/dbraw/zinc/02/83/05/405028305.db2.gz UEXGFAVIAUKNEF-ZHALLVOQSA-N 1 3 319.493 2.254 20 0 DEADHO C[C@H]([NH2+]C[C@](C)(O)C1CC1)c1ccc(OCCN(C)C)cc1 ZINC000361345813 405031307 /nfs/dbraw/zinc/03/13/07/405031307.db2.gz KVQQVKRBZODJLM-KSSFIOAISA-N 1 3 306.450 2.439 20 0 DEADHO C[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccc(OCCN(C)C)cc1 ZINC000361345811 405031422 /nfs/dbraw/zinc/03/14/22/405031422.db2.gz KVQQVKRBZODJLM-KBXCAEBGSA-N 1 3 306.450 2.439 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)N(CC)CC ZINC000424024857 404975070 /nfs/dbraw/zinc/97/50/70/404975070.db2.gz HSPPMSWUBFKNEE-USXIJHARSA-N 1 3 321.440 2.199 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)N(C)C ZINC000424030159 404976374 /nfs/dbraw/zinc/97/63/74/404976374.db2.gz FCBJINQYCPYGHK-IXDOHACOSA-N 1 3 321.440 2.055 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C1CC1)N1CCCC1 ZINC000353983708 404983635 /nfs/dbraw/zinc/98/36/35/404983635.db2.gz NUQNREPJVHPBOZ-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C1CC1)N1CCCC1 ZINC000353983708 404983637 /nfs/dbraw/zinc/98/36/37/404983637.db2.gz NUQNREPJVHPBOZ-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H]([NH2+]C)C1)c1ccsc1 ZINC000417001089 404993150 /nfs/dbraw/zinc/99/31/50/404993150.db2.gz DONDHCLPFQGWAD-GJZGRUSLSA-N 1 3 324.494 2.134 20 0 DEADHO CN(CCC(=O)N1CCc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000435612711 404995980 /nfs/dbraw/zinc/99/59/80/404995980.db2.gz HAHAMCLEQUZXHV-MRXNPFEDSA-N 1 3 301.434 2.040 20 0 DEADHO CN(CCC(=O)N1CCc2sccc2C1)[C@@H]1CCC[NH2+]CC1 ZINC000435622290 404997286 /nfs/dbraw/zinc/99/72/86/404997286.db2.gz QRXQWYBXRTXVQJ-OAHLLOKOSA-N 1 3 321.490 2.097 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1([NH3+])CCCCC1 ZINC000389985071 405042690 /nfs/dbraw/zinc/04/26/90/405042690.db2.gz LQNFKRDNIIQQJU-WBVHZDCISA-N 1 3 315.461 2.285 20 0 DEADHO CN(CCNC(=O)NC(C)(C)CC[NH+]1CCCCCC1)C1CC1 ZINC000361421266 405067705 /nfs/dbraw/zinc/06/77/05/405067705.db2.gz FURQESYSDZWOGY-UHFFFAOYSA-N 1 3 324.513 2.425 20 0 DEADHO CCCCN1CCCC[C@H]1CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436294954 405068061 /nfs/dbraw/zinc/06/80/61/405068061.db2.gz XWFPJAMXCLQUOI-SOLBZPMBSA-N 1 3 307.482 2.147 20 0 DEADHO C[C@@H]1CC2(CN1Cc1cnn(CC(F)(F)F)c1)CC[NH2+]CC2 ZINC000424387466 405080498 /nfs/dbraw/zinc/08/04/98/405080498.db2.gz YFZULBFAYFAWNM-GFCCVEGCSA-N 1 3 316.371 2.409 20 0 DEADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000417323217 405087309 /nfs/dbraw/zinc/08/73/09/405087309.db2.gz GHPXXHNNOIPZBA-OAGGEKHMSA-N 1 3 312.502 2.122 20 0 DEADHO C[C@@H]1CCN(C(=O)NCCN2[C@H](C)CCC[C@H]2C)[C@@H](C[NH3+])C1 ZINC000417526840 405089818 /nfs/dbraw/zinc/08/98/18/405089818.db2.gz CQVOHEIMDOSFIS-KLHDSHLOSA-N 1 3 310.486 2.018 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000417539491 405089908 /nfs/dbraw/zinc/08/99/08/405089908.db2.gz VKVHRWKCMKXAGD-IYBDPMFKSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000417531485 405090898 /nfs/dbraw/zinc/09/08/98/405090898.db2.gz JUKGFUIMAVLLMK-FZKCQIBNSA-N 1 3 310.486 2.066 20 0 DEADHO Cc1cc(C[NH3+])cc(NC(=O)NCCN2CCC(C)CC2)c1 ZINC000424431749 405092984 /nfs/dbraw/zinc/09/29/84/405092984.db2.gz AFWGHRCZNCSJNF-UHFFFAOYSA-N 1 3 304.438 2.307 20 0 DEADHO CN(C[C@@H]1CCCN(C)C1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418453898 405128635 /nfs/dbraw/zinc/12/86/35/405128635.db2.gz ZSXJOXUPHYMKJQ-MRXNPFEDSA-N 1 3 324.513 2.282 20 0 DEADHO CCCCN(C)CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361510010 405108414 /nfs/dbraw/zinc/10/84/14/405108414.db2.gz YFAOADTZBRSAJN-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CCCCN(C)CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361510010 405108415 /nfs/dbraw/zinc/10/84/15/405108415.db2.gz YFAOADTZBRSAJN-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@H](CC[NH3+])NC(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000418248757 405118435 /nfs/dbraw/zinc/11/84/35/405118435.db2.gz SGGZPEVWJXROAF-HNNXBMFYSA-N 1 3 318.465 2.078 20 0 DEADHO CN(C)C[C@H]1CCCCN1C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000367753438 405144691 /nfs/dbraw/zinc/14/46/91/405144691.db2.gz KOEIUBXHPFMTMK-QSFKDOLUSA-N 1 3 307.482 2.083 20 0 DEADHO CN1CC=C(CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000418662424 405157199 /nfs/dbraw/zinc/15/71/99/405157199.db2.gz SZZYYJNVJDKJFM-QGZVFWFLSA-N 1 3 316.449 2.028 20 0 DEADHO C[C@@H](CCCC[NH3+])NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000418696906 405171598 /nfs/dbraw/zinc/17/15/98/405171598.db2.gz NAIHYNUGTFEBCV-HNNXBMFYSA-N 1 3 312.502 2.267 20 0 DEADHO C[C@@H](CCC[NH3+])NC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000418711009 405176625 /nfs/dbraw/zinc/17/66/25/405176625.db2.gz TUDPSEVRZCLUAY-AWEZNQCLSA-N 1 3 324.444 2.026 20 0 DEADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H](C)CCC[NH3+])c1 ZINC000418712192 405177645 /nfs/dbraw/zinc/17/76/45/405177645.db2.gz VASBBBGCVNVAJW-MRXNPFEDSA-N 1 3 320.481 2.196 20 0 DEADHO CCC[C@H](O)[C@H](CO)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000419806359 405266258 /nfs/dbraw/zinc/26/62/58/405266258.db2.gz FGXLVTNIPVPDLZ-NQYYFHDYSA-N 1 3 320.477 2.151 20 0 DEADHO CCC[C@H](O)[C@H](CO)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000419806359 405266260 /nfs/dbraw/zinc/26/62/60/405266260.db2.gz FGXLVTNIPVPDLZ-NQYYFHDYSA-N 1 3 320.477 2.151 20 0 DEADHO CN1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC000425055684 405238326 /nfs/dbraw/zinc/23/83/26/405238326.db2.gz IDFHVWKLHRWUAV-XYJFISCASA-N 1 3 319.493 2.194 20 0 DEADHO CN1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC000425055684 405238328 /nfs/dbraw/zinc/23/83/28/405238328.db2.gz IDFHVWKLHRWUAV-XYJFISCASA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000438853553 405256076 /nfs/dbraw/zinc/25/60/76/405256076.db2.gz POYPXEAEDDFFBK-DOTOQJQBSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000438853553 405256079 /nfs/dbraw/zinc/25/60/79/405256079.db2.gz POYPXEAEDDFFBK-DOTOQJQBSA-N 1 3 324.513 2.279 20 0 DEADHO CCOc1ccccc1NC(=O)CCN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000420290985 405307970 /nfs/dbraw/zinc/30/79/70/405307970.db2.gz MUWOYITYPXFKQC-CABCVRRESA-N 1 3 319.449 2.473 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN2CCN(CC(C)C)CC2)cc1 ZINC000420293822 405309264 /nfs/dbraw/zinc/30/92/64/405309264.db2.gz AMINUPRHZJTYNL-QGZVFWFLSA-N 1 3 305.466 2.011 20 0 DEADHO COC(=O)c1cc2cc(CN3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)ccc2o1 ZINC000420299716 405310835 /nfs/dbraw/zinc/31/08/35/405310835.db2.gz BLLZJFMEZPMKRT-CFVMTHIKSA-N 1 3 314.385 2.389 20 0 DEADHO C[NH2+]CCC1CCN(CCOc2cccc(C(=O)OC)c2)CC1 ZINC000420303906 405312485 /nfs/dbraw/zinc/31/24/85/405312485.db2.gz IDFBRKUQTJYUAS-UHFFFAOYSA-N 1 3 320.433 2.174 20 0 DEADHO c1csc(CCN2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000420312021 405315212 /nfs/dbraw/zinc/31/52/12/405315212.db2.gz HPGAIMRDYNUAPB-INIZCTEOSA-N 1 3 307.507 2.298 20 0 DEADHO CC(C)CN(C(=O)CN1CCC([C@H]2CC[NH2+]C2)CC1)C(C)C ZINC000420323548 405319164 /nfs/dbraw/zinc/31/91/64/405319164.db2.gz YPDUAPMXPPPYTC-KRWDZBQOSA-N 1 3 309.498 2.201 20 0 DEADHO COc1cccc([C@H](C)N2CCN(CC[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000420322861 405319438 /nfs/dbraw/zinc/31/94/38/405319438.db2.gz SYSMQGZAXWLQGS-IRXDYDNUSA-N 1 3 317.477 2.373 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420330658 405321898 /nfs/dbraw/zinc/32/18/98/405321898.db2.gz BBGGPOSJGCALLU-YYIAUSFCSA-N 1 3 307.482 2.097 20 0 DEADHO O=C(NCC1CC[NH+](C2CC2)CC1)[C@H]1CCCN1C1CCCC1 ZINC000446465683 405383196 /nfs/dbraw/zinc/38/31/96/405383196.db2.gz WGNYHXDFSXWZTC-GOSISDBHSA-N 1 3 319.493 2.384 20 0 DEADHO CCN1CCN(CCCC[NH2+][C@@H](COC)C2CCCC2)CC1 ZINC000446750913 405392044 /nfs/dbraw/zinc/39/20/44/405392044.db2.gz JIEKDMXJKKNLOZ-SFHVURJKSA-N 1 3 311.514 2.199 20 0 DEADHO CC(C)N1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000427165212 405392869 /nfs/dbraw/zinc/39/28/69/405392869.db2.gz QPOJTZINTYTIQQ-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]CC[C@H](C)OC)CC1 ZINC000446980844 405398170 /nfs/dbraw/zinc/39/81/70/405398170.db2.gz MMAMKMINKDIAIO-INIZCTEOSA-N 1 3 305.466 2.343 20 0 DEADHO CN(C[C@@H]1CCCN1C)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000420925529 405406964 /nfs/dbraw/zinc/40/69/64/405406964.db2.gz YSBVESBWLOKIGC-LSDHHAIUSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)N(C)C ZINC000455435375 405409495 /nfs/dbraw/zinc/40/94/95/405409495.db2.gz SFLUKPGAWNRHSQ-AWEZNQCLSA-N 1 3 310.486 2.033 20 0 DEADHO CNC(=O)[C@@H]1CC[N@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000420959394 405415029 /nfs/dbraw/zinc/41/50/29/405415029.db2.gz DSNYPPUJCXSFKR-GOSISDBHSA-N 1 3 315.461 2.240 20 0 DEADHO CNC(=O)[C@@H]1CC[N@@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000420959394 405415034 /nfs/dbraw/zinc/41/50/34/405415034.db2.gz DSNYPPUJCXSFKR-GOSISDBHSA-N 1 3 315.461 2.240 20 0 DEADHO CNC(=O)[C@@H]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000420959394 405415035 /nfs/dbraw/zinc/41/50/35/405415035.db2.gz DSNYPPUJCXSFKR-GOSISDBHSA-N 1 3 315.461 2.240 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@]3(C)CC=CCC3)CC2)CC1 ZINC000448835876 405453827 /nfs/dbraw/zinc/45/38/27/405453827.db2.gz NXUGYKNEGAXVAM-LJQANCHMSA-N 1 3 319.493 2.408 20 0 DEADHO C[C@@H]1CCC[C@@]1(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000448836235 405453989 /nfs/dbraw/zinc/45/39/89/405453989.db2.gz PAYFIYBKRIBCEG-DNVCBOLYSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@H]([NH3+])CCN(C)CCC(=O)NC(=O)Nc1ccccc1 ZINC000430589314 405462266 /nfs/dbraw/zinc/46/22/66/405462266.db2.gz HSGKEFFXNGJLBB-OAHLLOKOSA-N 1 3 320.437 2.030 20 0 DEADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(CC(N)=O)CC2)CC1 ZINC000421347131 405466532 /nfs/dbraw/zinc/46/65/32/405466532.db2.gz BHNVYBYLXWIJEZ-ZBFHGGJFSA-N 1 3 307.482 2.275 20 0 DEADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CC2(CC(N)=O)CC2)CC1 ZINC000421347131 405466533 /nfs/dbraw/zinc/46/65/33/405466533.db2.gz BHNVYBYLXWIJEZ-ZBFHGGJFSA-N 1 3 307.482 2.275 20 0 DEADHO CCc1ccc([C@H](C)NC(=O)[C@@H](C)N2CCC(C[NH3+])CC2)cc1 ZINC000430628267 405471819 /nfs/dbraw/zinc/47/18/19/405471819.db2.gz VFVWWXWNYYDQGX-LSDHHAIUSA-N 1 3 317.477 2.485 20 0 DEADHO CN(C(=O)/C=C\C[NH+](C)C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000492081940 405482458 /nfs/dbraw/zinc/48/24/58/405482458.db2.gz HPXFCAIBQLQROU-QCSXQHJISA-N 1 3 315.461 2.227 20 0 DEADHO CCN1CCC([N@@H+]2CCCN(Cc3cncs3)CC2)CC1 ZINC000421381941 405482584 /nfs/dbraw/zinc/48/25/84/405482584.db2.gz XOTSHNJMKXIIGG-UHFFFAOYSA-N 1 3 308.495 2.135 20 0 DEADHO CCN1CCC([N@H+]2CCCN(Cc3cncs3)CC2)CC1 ZINC000421381941 405482586 /nfs/dbraw/zinc/48/25/86/405482586.db2.gz XOTSHNJMKXIIGG-UHFFFAOYSA-N 1 3 308.495 2.135 20 0 DEADHO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000430893568 405523115 /nfs/dbraw/zinc/52/31/15/405523115.db2.gz GIESVGMTQCOSLX-GVDBMIGSSA-N 1 3 307.482 2.371 20 0 DEADHO C[C@H](NC(=O)CN1CCC2(CC[NH2+]C2)CC1)c1ccc(F)cc1 ZINC000431041872 405567116 /nfs/dbraw/zinc/56/71/16/405567116.db2.gz AINPCYHFGSWLLC-AWEZNQCLSA-N 1 3 319.424 2.078 20 0 DEADHO C[C@@H]1CN(CCC(=O)NCc2ccccc2Cl)CC[C@H]1[NH3+] ZINC000430940149 405536740 /nfs/dbraw/zinc/53/67/40/405536740.db2.gz OANXNZRXLBSVRI-IUODEOHRSA-N 1 3 309.841 2.015 20 0 DEADHO [NH3+]C[C@H]1CCN(CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000430944864 405541968 /nfs/dbraw/zinc/54/19/68/405541968.db2.gz VFHALXHBWNFMOX-LLVKDONJSA-N 1 3 306.797 2.213 20 0 DEADHO CN(C)CC[C@@H]([NH2+]C1CCN(CC(C)(C)O)CC1)C(C)(C)C ZINC000638602431 405566388 /nfs/dbraw/zinc/56/63/88/405566388.db2.gz CMCDCLVZDGJGIA-MRXNPFEDSA-N 1 3 313.530 2.178 20 0 DEADHO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000638672241 405608754 /nfs/dbraw/zinc/60/87/54/405608754.db2.gz UAGVJXCHOXGJHC-RHSMWYFYSA-N 1 3 303.406 2.015 20 0 DEADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCCCC[NH+]1CCCC1 ZINC000458838473 405621316 /nfs/dbraw/zinc/62/13/16/405621316.db2.gz CGTLHCDVTHPQMM-SJORKVTESA-N 1 3 324.513 2.234 20 0 DEADHO CC[C@@H](O)[C@H](CC)[NH2+]Cc1ccccc1N1CCN(CC)CC1 ZINC000449642251 405653065 /nfs/dbraw/zinc/65/30/65/405653065.db2.gz WRWHQALPEGFPOT-PKOBYXMFSA-N 1 3 319.493 2.468 20 0 DEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N(C)CCN1CCCC1 ZINC000458938257 405663659 /nfs/dbraw/zinc/66/36/59/405663659.db2.gz PBTNDHDBFKUGDB-KRWDZBQOSA-N 1 3 324.513 2.234 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1CCCN1C ZINC000431770703 405673419 /nfs/dbraw/zinc/67/34/19/405673419.db2.gz LSPJWOBXYQFPOW-YESZJQIVSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCCOC[C@H]1CCCO1 ZINC000422776397 405681718 /nfs/dbraw/zinc/68/17/18/405681718.db2.gz ALMQUQWKXMSBKB-JQHSSLGASA-N 1 3 306.450 2.120 20 0 DEADHO CO[C@]1(CNCc2cccc(C[NH+]3CCCC3)c2)CCOC1 ZINC000638850515 405713860 /nfs/dbraw/zinc/71/38/60/405713860.db2.gz PMZQBRQMBOLLNE-SFHVURJKSA-N 1 3 304.434 2.178 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H]([NH3+])C1CCC1)c1ccsc1 ZINC000423321353 405760893 /nfs/dbraw/zinc/76/08/93/405760893.db2.gz HKASCCPLMZXQRU-CABCVRRESA-N 1 3 309.479 2.375 20 0 DEADHO CC(C)c1ccc([C@@H](N)C[NH2+][C@H](C)C[C@@H]2COCCN2)cc1 ZINC000423240136 405733025 /nfs/dbraw/zinc/73/30/25/405733025.db2.gz KOHLGSNWUCVYDP-OLMNPRSZSA-N 1 3 305.466 2.166 20 0 DEADHO C[NH2+]C[C@@H](C)CN[C@H](CCn1cncn1)c1ccc(C)cc1 ZINC000423281101 405747581 /nfs/dbraw/zinc/74/75/81/405747581.db2.gz VKOBZYJSNUUSAY-NVXWUHKLSA-N 1 3 301.438 2.163 20 0 DEADHO C[C@@H](O)[C@@H](C)[NH2+]CCCOC1CCN(Cc2ccccc2)CC1 ZINC000583560037 405759999 /nfs/dbraw/zinc/75/99/99/405759999.db2.gz SFAPECFRLOHTHK-IAGOWNOFSA-N 1 3 320.477 2.417 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H]([NH3+])C2CCC2)N2CCCC2)cc1 ZINC000423362396 405775741 /nfs/dbraw/zinc/77/57/41/405775741.db2.gz SYQZKCPBZPQBHE-ZWKOTPCHSA-N 1 3 315.461 2.376 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)C1 ZINC000423369682 405780723 /nfs/dbraw/zinc/78/07/23/405780723.db2.gz SXTJIPSOXZAEOE-LMSBXDPUSA-N 1 3 315.461 2.326 20 0 DEADHO C[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1 ZINC000423395461 405788671 /nfs/dbraw/zinc/78/86/71/405788671.db2.gz SOYXODZZAPRLCG-JSGCOSHPSA-N 1 3 301.356 2.173 20 0 DEADHO CC(C)N1CC[C@@H](C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)C1 ZINC000560405014 405808214 /nfs/dbraw/zinc/80/82/14/405808214.db2.gz NMPTYBMGXBOOHZ-HNNXBMFYSA-N 1 3 319.449 2.204 20 0 DEADHO C[C@H](C(=O)N1C[C@H](C[NH3+])Cc2ccccc21)N1CCCCCC1 ZINC000639020589 405823701 /nfs/dbraw/zinc/82/37/01/405823701.db2.gz CMIJYLWEUQVMEM-CVEARBPZSA-N 1 3 315.461 2.415 20 0 DEADHO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CNCCCO2)C1 ZINC000423492525 405825233 /nfs/dbraw/zinc/82/52/33/405825233.db2.gz NJMMSWNZPFKLKD-BRWVUGGUSA-N 1 3 303.450 2.384 20 0 DEADHO Cc1cccnc1[C@@H]1CCC[C@@H](NC[C@H]2C[NH2+]CCCO2)C1 ZINC000423492525 405825237 /nfs/dbraw/zinc/82/52/37/405825237.db2.gz NJMMSWNZPFKLKD-BRWVUGGUSA-N 1 3 303.450 2.384 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000584111681 405827833 /nfs/dbraw/zinc/82/78/33/405827833.db2.gz PBNCUQLIJMRLKZ-KBPBESRZSA-N 1 3 322.453 2.011 20 0 DEADHO C[C@@H]1CCN[C@H](C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)C1 ZINC000423356788 405775012 /nfs/dbraw/zinc/77/50/12/405775012.db2.gz KPLIPXVNTQTUSI-OWSLCNJRSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CCN[C@H](C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)C1 ZINC000423356788 405775014 /nfs/dbraw/zinc/77/50/14/405775014.db2.gz KPLIPXVNTQTUSI-OWSLCNJRSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[NH+](CCNC(=O)N1CC[C@@]2(C1)CCCN(C)C2)C(C)C ZINC000457415905 405833835 /nfs/dbraw/zinc/83/38/35/405833835.db2.gz DDYKHQKWSRDFLX-SFHVURJKSA-N 1 3 324.513 2.233 20 0 DEADHO CN(C)Cc1ccccc1C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000423514489 405834839 /nfs/dbraw/zinc/83/48/39/405834839.db2.gz SZJZQJGOVDKSTJ-UHFFFAOYSA-N 1 3 313.401 2.338 20 0 DEADHO CCC[C@H](C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1)OC ZINC000639045455 405841012 /nfs/dbraw/zinc/84/10/12/405841012.db2.gz XFUHVTFDEZGYSB-QGZVFWFLSA-N 1 3 311.514 2.151 20 0 DEADHO C[C@@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1cn[nH]c1 ZINC000423547485 405850001 /nfs/dbraw/zinc/85/00/01/405850001.db2.gz DIYZHPQKILKSMR-OAHLLOKOSA-N 1 3 313.449 2.054 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@@]2(C)CCCCN2)C1 ZINC000423724916 405929606 /nfs/dbraw/zinc/92/96/06/405929606.db2.gz HQJPVTHNRGACGM-KYHPRHEASA-N 1 3 307.482 2.382 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@]2(C)CCCCN2)C1 ZINC000423724916 405929607 /nfs/dbraw/zinc/92/96/07/405929607.db2.gz HQJPVTHNRGACGM-KYHPRHEASA-N 1 3 307.482 2.382 20 0 DEADHO NC1(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CCCC1 ZINC000423790396 405967066 /nfs/dbraw/zinc/96/70/66/405967066.db2.gz GONJTYRYTYZUAM-UHFFFAOYSA-N 1 3 307.482 2.373 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@H]1CCCC[NH2+]1 ZINC000423745217 405940925 /nfs/dbraw/zinc/94/09/25/405940925.db2.gz PCQKOHMQKCSOKP-QGZVFWFLSA-N 1 3 303.450 2.239 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000423751990 405946715 /nfs/dbraw/zinc/94/67/15/405946715.db2.gz AMGXXYDKIPXDMO-LSDHHAIUSA-N 1 3 311.857 2.290 20 0 DEADHO CN(C)C[C@H](NC(=O)C1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423777496 405960420 /nfs/dbraw/zinc/96/04/20/405960420.db2.gz RMOQFYXGMOHDJZ-HNNXBMFYSA-N 1 3 309.841 2.059 20 0 DEADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457594817 405911787 /nfs/dbraw/zinc/91/17/87/405911787.db2.gz JACSEKLNDSHGML-RHSMWYFYSA-N 1 3 307.482 2.050 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633944104 405923744 /nfs/dbraw/zinc/92/37/44/405923744.db2.gz LOVWCJKOCUUMKL-IYBDPMFKSA-N 1 3 307.482 2.336 20 0 DEADHO CC[N@@H+]1CC[C@H](NC[C@@H](CO)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000459759713 406034950 /nfs/dbraw/zinc/03/49/50/406034950.db2.gz TXAFEEOGMMCEBH-ZVZYQTTQSA-N 1 3 306.450 2.091 20 0 DEADHO CC[N@H+]1CC[C@H](NC[C@@H](CO)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000459759713 406034957 /nfs/dbraw/zinc/03/49/57/406034957.db2.gz TXAFEEOGMMCEBH-ZVZYQTTQSA-N 1 3 306.450 2.091 20 0 DEADHO C[C@@H](CC(=O)Nc1cccc(F)c1)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000531729010 405999251 /nfs/dbraw/zinc/99/92/51/405999251.db2.gz ZSTZDUQGWQPYMY-KGLIPLIRSA-N 1 3 307.413 2.474 20 0 DEADHO C[C@@H](CC(=O)Nc1cccc(F)c1)NCC[N@H+]1CC[C@@H](C)C1 ZINC000531729010 405999253 /nfs/dbraw/zinc/99/92/53/405999253.db2.gz ZSTZDUQGWQPYMY-KGLIPLIRSA-N 1 3 307.413 2.474 20 0 DEADHO C[C@H](CNC(=O)NC[C@H]1CCCCN1C1CC1)C[NH+]1CCCC1 ZINC000433928173 406000049 /nfs/dbraw/zinc/00/00/49/406000049.db2.gz XLXCRGYVEPAZAG-NVXWUHKLSA-N 1 3 322.497 2.034 20 0 DEADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000433947352 406001798 /nfs/dbraw/zinc/00/17/98/406001798.db2.gz CRQATWXYOAAXLW-SJORKVTESA-N 1 3 322.497 2.129 20 0 DEADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@H]1CNCc2ccccc21 ZINC000515843039 406083601 /nfs/dbraw/zinc/08/36/01/406083601.db2.gz OJWKQHBGGULWEH-RBUKOAKNSA-N 1 3 323.440 2.252 20 0 DEADHO O=C1OCCN1c1cccc2c1CCN(CC[C@H]1CC[NH2+]C1)C2 ZINC000497256384 406040128 /nfs/dbraw/zinc/04/01/28/406040128.db2.gz FFGGWTCOXDACDR-CQSZACIVSA-N 1 3 315.417 2.001 20 0 DEADHO CC(C)N1CCC[C@@H](C[NH2+]C2CCN(c3cnccn3)CC2)C1 ZINC000532214158 406056446 /nfs/dbraw/zinc/05/64/46/406056446.db2.gz XCLAHHMDSOSKKO-INIZCTEOSA-N 1 3 317.481 2.155 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000518810773 406161036 /nfs/dbraw/zinc/16/10/36/406161036.db2.gz YQXREGDVRLWDDF-NVXWUHKLSA-N 1 3 319.493 2.194 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000518810773 406161040 /nfs/dbraw/zinc/16/10/40/406161040.db2.gz YQXREGDVRLWDDF-NVXWUHKLSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@@H](NC1CCN(C(=O)NC2CCCCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000567647161 406112703 /nfs/dbraw/zinc/11/27/03/406112703.db2.gz WVRATQCAPUZAEL-HUUCEWRRSA-N 1 3 322.497 2.081 20 0 DEADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000567675015 406116507 /nfs/dbraw/zinc/11/65/07/406116507.db2.gz WNGIENOFRRJPAD-HYVNUMGLSA-N 1 3 303.450 2.265 20 0 DEADHO C[C@@H]1CCC[C@H]([NH2+]CC(=O)NCCN2CCCCCC2)[C@H]1C ZINC000516986460 406118192 /nfs/dbraw/zinc/11/81/92/406118192.db2.gz MILRKPHYJFSMJR-IKGGRYGDSA-N 1 3 309.498 2.393 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]CCCc2cncn2C)[C@H](C)C1 ZINC000518214146 406132003 /nfs/dbraw/zinc/13/20/03/406132003.db2.gz ZCQDMXCQMVAMEV-AEFFLSMTSA-N 1 3 322.497 2.079 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCCN(C)C1 ZINC000533485778 406146328 /nfs/dbraw/zinc/14/63/28/406146328.db2.gz OAKQRJGZTWJHGI-SJORKVTESA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCCN(C)C1 ZINC000533485778 406146332 /nfs/dbraw/zinc/14/63/32/406146332.db2.gz OAKQRJGZTWJHGI-SJORKVTESA-N 1 3 324.513 2.138 20 0 DEADHO CN1CCCC[C@H]1CC[N@H+](C)CC(C)(C)CN1CCOCC1 ZINC000533560334 406154194 /nfs/dbraw/zinc/15/41/94/406154194.db2.gz QOZUXRCENWOKDM-KRWDZBQOSA-N 1 3 311.514 2.151 20 0 DEADHO CN1CCCC[C@H]1CC[N@@H+](C)CC(C)(C)CN1CCOCC1 ZINC000533560334 406154199 /nfs/dbraw/zinc/15/41/99/406154199.db2.gz QOZUXRCENWOKDM-KRWDZBQOSA-N 1 3 311.514 2.151 20 0 DEADHO CN(CC[C@@H]1CCCC[N@@H+]1C)CC(C)(C)CN1CCOCC1 ZINC000533560334 406154203 /nfs/dbraw/zinc/15/42/03/406154203.db2.gz QOZUXRCENWOKDM-KRWDZBQOSA-N 1 3 311.514 2.151 20 0 DEADHO CN(CC[C@@H]1CCCC[N@H+]1C)CC(C)(C)CN1CCOCC1 ZINC000533560334 406154207 /nfs/dbraw/zinc/15/42/07/406154207.db2.gz QOZUXRCENWOKDM-KRWDZBQOSA-N 1 3 311.514 2.151 20 0 DEADHO CCCC[N@H+](C)CCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000485307096 406182757 /nfs/dbraw/zinc/18/27/57/406182757.db2.gz CLZFLBXMFJZMGM-UHFFFAOYSA-N 1 3 324.513 2.378 20 0 DEADHO CCCC[N@@H+](C)CCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000485307096 406182760 /nfs/dbraw/zinc/18/27/60/406182760.db2.gz CLZFLBXMFJZMGM-UHFFFAOYSA-N 1 3 324.513 2.378 20 0 DEADHO CN1CCC(N2CCC([NH2+][C@H]3CCOC(C)(C)C3)CC2)CC1 ZINC000634678669 406222398 /nfs/dbraw/zinc/22/23/98/406222398.db2.gz APWOHAQKWKGHOG-INIZCTEOSA-N 1 3 309.498 2.092 20 0 DEADHO CC1(C)CNCC[C@H]([NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000634734114 406254855 /nfs/dbraw/zinc/25/48/55/406254855.db2.gz XEGDDIOLIUQWDK-AWEZNQCLSA-N 1 3 308.495 2.480 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000520313697 406281845 /nfs/dbraw/zinc/28/18/45/406281845.db2.gz JALYJGHXTKKELD-HNNXBMFYSA-N 1 3 321.490 2.028 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000520313697 406281853 /nfs/dbraw/zinc/28/18/53/406281853.db2.gz JALYJGHXTKKELD-HNNXBMFYSA-N 1 3 321.490 2.028 20 0 DEADHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)C[C@@H]1CCc2ncnn21 ZINC000639894715 406304260 /nfs/dbraw/zinc/30/42/60/406304260.db2.gz GNRPXKLLTQTVNV-KRWDZBQOSA-N 1 3 313.449 2.349 20 0 DEADHO CC[N@H+](Cc1ccc(CN(C)C)cc1)C[C@@H]1CCc2ncnn21 ZINC000639894715 406304266 /nfs/dbraw/zinc/30/42/66/406304266.db2.gz GNRPXKLLTQTVNV-KRWDZBQOSA-N 1 3 313.449 2.349 20 0 DEADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1CCc2ncnn21 ZINC000639894715 406304269 /nfs/dbraw/zinc/30/42/69/406304269.db2.gz GNRPXKLLTQTVNV-KRWDZBQOSA-N 1 3 313.449 2.349 20 0 DEADHO NCc1cn([C@H]2CC[N@H+](Cc3cc4ccccc4s3)C2)nn1 ZINC000635000615 406393190 /nfs/dbraw/zinc/39/31/90/406393190.db2.gz RVVSBDNWNRRTLC-AWEZNQCLSA-N 1 3 313.430 2.399 20 0 DEADHO NCc1cn([C@H]2CC[N@@H+](Cc3cc4ccccc4s3)C2)nn1 ZINC000635000615 406393195 /nfs/dbraw/zinc/39/31/95/406393195.db2.gz RVVSBDNWNRRTLC-AWEZNQCLSA-N 1 3 313.430 2.399 20 0 DEADHO Cc1oc2ccccc2c1C[N@@H+]1CC[C@H](n2cc(CN)nn2)C1 ZINC000635000659 406393532 /nfs/dbraw/zinc/39/35/32/406393532.db2.gz SNEIYTVVGHMEFT-AWEZNQCLSA-N 1 3 311.389 2.238 20 0 DEADHO Cc1oc2ccccc2c1C[N@H+]1CC[C@H](n2cc(CN)nn2)C1 ZINC000635000659 406393537 /nfs/dbraw/zinc/39/35/37/406393537.db2.gz SNEIYTVVGHMEFT-AWEZNQCLSA-N 1 3 311.389 2.238 20 0 DEADHO Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000635008088 406396657 /nfs/dbraw/zinc/39/66/57/406396657.db2.gz ZISQHXUYRPAXEZ-BZUAXINKSA-N 1 3 324.490 2.264 20 0 DEADHO CC(C)[C@@H]1C[C@H](Nc2cc(N3CCNCC3)cc[nH+]2)CCO1 ZINC000635006168 406397304 /nfs/dbraw/zinc/39/73/04/406397304.db2.gz AUBBTJRCDRVWDH-ZBFHGGJFSA-N 1 3 304.438 2.107 20 0 DEADHO COC[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)C1CCCC1 ZINC000635007635 406397874 /nfs/dbraw/zinc/39/78/74/406397874.db2.gz FSBYGJUHORQEDM-INIZCTEOSA-N 1 3 304.438 2.108 20 0 DEADHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(S(C)(=O)=O)cc1 ZINC000635010693 406398373 /nfs/dbraw/zinc/39/83/73/406398373.db2.gz ATUMLGLJPDKNHJ-SLHHOWHOSA-N 1 3 322.474 2.066 20 0 DEADHO COc1ccc2c(c1)C[C@@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)CO2 ZINC000635008899 406398866 /nfs/dbraw/zinc/39/88/66/406398866.db2.gz FMUJJKDTMOFRBU-HUUCEWRRSA-N 1 3 304.434 2.367 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000523218653 406419538 /nfs/dbraw/zinc/41/95/38/406419538.db2.gz RENAIKHLXSNMRM-IRXDYDNUSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000523218653 406419542 /nfs/dbraw/zinc/41/95/42/406419542.db2.gz RENAIKHLXSNMRM-IRXDYDNUSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@H](NC(=O)NCC[NH2+]C1CCCCCC1)C1=CCN(C)CC1 ZINC000521841753 406368356 /nfs/dbraw/zinc/36/83/56/406368356.db2.gz KNINPAFRJFIYLI-HNNXBMFYSA-N 1 3 322.497 2.248 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)[C@H]1CC[NH2+][C@@H]1C)c1ccccc1 ZINC000521867622 406371032 /nfs/dbraw/zinc/37/10/32/406371032.db2.gz MNBCJWSFWUVVAM-LZWOXQAQSA-N 1 3 303.450 2.230 20 0 DEADHO C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000525223961 406477240 /nfs/dbraw/zinc/47/72/40/406477240.db2.gz YLLSFXNUPOADNK-AEFFLSMTSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000525223961 406477246 /nfs/dbraw/zinc/47/72/46/406477246.db2.gz YLLSFXNUPOADNK-AEFFLSMTSA-N 1 3 315.461 2.061 20 0 DEADHO CC1CCC(N2CCN(C(=O)N[C@H]3CC[C@H](C[NH3+])C3)CC2)CC1 ZINC000570817437 406443109 /nfs/dbraw/zinc/44/31/09/406443109.db2.gz WQFHNXYWVQCUGT-YZUHTNEWSA-N 1 3 322.497 2.020 20 0 DEADHO COCCc1ncc(CN2CCC(CC[NH+](C)C)CC2)s1 ZINC000637964026 406498511 /nfs/dbraw/zinc/49/85/11/406498511.db2.gz FQPCZGHQVZRNGZ-UHFFFAOYSA-N 1 3 311.495 2.496 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N(C)CCC[NH3+])CCN1Cc1ccccc1 ZINC000571626093 406544392 /nfs/dbraw/zinc/54/43/92/406544392.db2.gz SMXMBVZGBORWAO-WBVHZDCISA-N 1 3 318.465 2.030 20 0 DEADHO CC(C)CC[C@@H](N)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000638053011 406545490 /nfs/dbraw/zinc/54/54/90/406545490.db2.gz DYECVOWNCPHJNI-QGZVFWFLSA-N 1 3 305.466 2.388 20 0 DEADHO CC(C)CC[C@@H](N)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000638053011 406545494 /nfs/dbraw/zinc/54/54/94/406545494.db2.gz DYECVOWNCPHJNI-QGZVFWFLSA-N 1 3 305.466 2.388 20 0 DEADHO CC[NH+](CC)Cc1cccc(NC(=O)[C@@]2(C)C[C@H](OC)CN2)c1 ZINC000638065849 406552492 /nfs/dbraw/zinc/55/24/92/406552492.db2.gz BUSYMWRJSIZAEY-FUHWJXTLSA-N 1 3 319.449 2.234 20 0 DEADHO O=C(Nc1cccc2c1CC[NH2+]C2)[C@@H]1CNCc2ccccc21 ZINC000571282225 406501840 /nfs/dbraw/zinc/50/18/40/406501840.db2.gz CTLMUZYWMNSALY-QGZVFWFLSA-N 1 3 307.397 2.158 20 0 DEADHO CC[C@](C)(CN1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)OC ZINC000637984422 406508769 /nfs/dbraw/zinc/50/87/69/406508769.db2.gz FWBRJXXHQLKERV-OKZBNKHCSA-N 1 3 311.514 2.292 20 0 DEADHO CO[C@@H](CN1CC[C@H](C[NH+]2CCCCC2)C1)C1CCOCC1 ZINC000638120042 406580518 /nfs/dbraw/zinc/58/05/18/406580518.db2.gz CBANIRWJFCLEAT-AEFFLSMTSA-N 1 3 310.482 2.236 20 0 DEADHO CO[C@@H](C[N@@H+]1CC[C@H](CN2CCCCC2)C1)C1CCOCC1 ZINC000638120042 406580522 /nfs/dbraw/zinc/58/05/22/406580522.db2.gz CBANIRWJFCLEAT-AEFFLSMTSA-N 1 3 310.482 2.236 20 0 DEADHO CO[C@@H](C[N@H+]1CC[C@H](CN2CCCCC2)C1)C1CCOCC1 ZINC000638120042 406580527 /nfs/dbraw/zinc/58/05/27/406580527.db2.gz CBANIRWJFCLEAT-AEFFLSMTSA-N 1 3 310.482 2.236 20 0 DEADHO CC[NH2+][C@H](C)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000638123862 406582579 /nfs/dbraw/zinc/58/25/79/406582579.db2.gz RJYUPBVLWXOPJO-UMVBOHGHSA-N 1 3 309.479 2.245 20 0 DEADHO C[NH+](C)CCCCC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000552114955 406687047 /nfs/dbraw/zinc/68/70/47/406687047.db2.gz HQNMYGOXLXBOMK-GOSISDBHSA-N 1 3 317.477 2.499 20 0 DEADHO CC1(C)C[NH2+][C@H]1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000645803484 406640390 /nfs/dbraw/zinc/64/03/90/406640390.db2.gz DQZYACGEEILXAI-HNNXBMFYSA-N 1 3 321.490 2.074 20 0 DEADHO CC1(C)CCN(CC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000553146255 406739142 /nfs/dbraw/zinc/73/91/42/406739142.db2.gz HAPDASADRJLDQO-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO C[NH+](C)C/C=C\C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000491861896 406752493 /nfs/dbraw/zinc/75/24/93/406752493.db2.gz BCGXHAGMGKMNRY-UVCVVPOWSA-N 1 3 321.490 2.194 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)CN2CCC(C)(C)C2)[NH+](C)C)cc1 ZINC000553392117 406756787 /nfs/dbraw/zinc/75/67/87/406756787.db2.gz PWXHCHOUZSYVRN-QGZVFWFLSA-N 1 3 317.477 2.446 20 0 DEADHO CCc1nc(C)c(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)o1 ZINC000641825576 406902146 /nfs/dbraw/zinc/90/21/46/406902146.db2.gz ZNYLRDRQWPXNEL-OAHLLOKOSA-N 1 3 307.438 2.136 20 0 DEADHO CN1C[C@@H](N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000647177614 406966079 /nfs/dbraw/zinc/96/60/79/406966079.db2.gz GMTVIVRUQJXBAO-IRXDYDNUSA-N 1 3 313.445 2.004 20 0 DEADHO CN1C[C@@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000647177614 406966082 /nfs/dbraw/zinc/96/60/82/406966082.db2.gz GMTVIVRUQJXBAO-IRXDYDNUSA-N 1 3 313.445 2.004 20 0 DEADHO CC[C@@H]1CN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000647010018 406940248 /nfs/dbraw/zinc/94/02/48/406940248.db2.gz MWESOOUTXFINLD-FGTMMUONSA-N 1 3 315.461 2.237 20 0 DEADHO CCCN1CCN(c2ccccc2CN[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000647552197 407019623 /nfs/dbraw/zinc/01/96/23/407019623.db2.gz MCZVFLRKGCSJAF-SJORKVTESA-N 1 3 318.509 2.434 20 0 DEADHO CCCN1CCN(c2ccccc2CN[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000647552195 407019891 /nfs/dbraw/zinc/01/98/91/407019891.db2.gz MCZVFLRKGCSJAF-IAGOWNOFSA-N 1 3 318.509 2.434 20 0 DEADHO COc1ccccc1C(C)(C)CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000643457601 407002150 /nfs/dbraw/zinc/00/21/50/407002150.db2.gz PPOCPKXMYXQPNR-IIAWOOMASA-N 1 3 306.450 2.315 20 0 DEADHO COc1ccccc1C(C)(C)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)N ZINC000643457601 407002153 /nfs/dbraw/zinc/00/21/53/407002153.db2.gz PPOCPKXMYXQPNR-IIAWOOMASA-N 1 3 306.450 2.315 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000643489641 407006898 /nfs/dbraw/zinc/00/68/98/407006898.db2.gz POYVATQUZNWKOE-IREHDKGXSA-N 1 3 304.434 2.249 20 0 DEADHO CC(C)(C)CCNC(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978054 407092640 /nfs/dbraw/zinc/09/26/40/407092640.db2.gz LTCQLDFQFVXMKG-CVEARBPZSA-N 1 3 309.498 2.250 20 0 DEADHO C[C@H]1C[C@@H](CCNC(=O)CNC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000644156696 407097288 /nfs/dbraw/zinc/09/72/88/407097288.db2.gz LOALCLWBHUGYAH-DOTOQJQBSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H]1C[C@@H](CCNC(=O)CNC2CC2)C[N@H+]1Cc1ccccc1 ZINC000644156696 407097290 /nfs/dbraw/zinc/09/72/90/407097290.db2.gz LOALCLWBHUGYAH-DOTOQJQBSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC[C@H]1CSc2ccccc2O1 ZINC000647800766 407053584 /nfs/dbraw/zinc/05/35/84/407053584.db2.gz KGVORFSIWHRCCK-ZQDZILKHSA-N 1 3 322.474 2.272 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC[C@H]1CSc2ccccc2O1 ZINC000647800766 407053587 /nfs/dbraw/zinc/05/35/87/407053587.db2.gz KGVORFSIWHRCCK-ZQDZILKHSA-N 1 3 322.474 2.272 20 0 DEADHO CCN1CCN(C[C@@H](C)CNc2[nH+]ccc3[nH]ccc32)CC1 ZINC000647857783 407062375 /nfs/dbraw/zinc/06/23/75/407062375.db2.gz LFKVZDLCYDNITD-AWEZNQCLSA-N 1 3 301.438 2.248 20 0 DEADHO CC[C@@H]1CN(CCC(=O)N2CCc3sccc3C2)CC[C@H]1[NH3+] ZINC000647936454 407079593 /nfs/dbraw/zinc/07/95/93/407079593.db2.gz FHKFWLKNZQXZMR-UKRRQHHQSA-N 1 3 321.490 2.082 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@@H](N)c1ccccc1 ZINC000648181045 407132157 /nfs/dbraw/zinc/13/21/57/407132157.db2.gz XPHWZPHNESWSGL-NUEKZKHPSA-N 1 3 301.434 2.113 20 0 DEADHO [NH3+]CC1(CC(=O)N2CCN(c3ccncc3)CC2)CCCCC1 ZINC000645221527 407248848 /nfs/dbraw/zinc/24/88/48/407248848.db2.gz PXJAUHZDYUGCLS-UHFFFAOYSA-N 1 3 316.449 2.030 20 0 DEADHO CC[C@@H](NCCN1CC[NH2+]CC1)c1ccccc1OC(F)F ZINC000420383388 286908086 /nfs/dbraw/zinc/90/80/86/286908086.db2.gz ZNZRGEZMKAFMJO-CQSZACIVSA-N 1 3 313.392 2.234 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000247371673 287009540 /nfs/dbraw/zinc/00/95/40/287009540.db2.gz RZBQQHNVHVJPRZ-DLBZAZTESA-N 1 3 324.513 2.234 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000247371673 287009541 /nfs/dbraw/zinc/00/95/41/287009541.db2.gz RZBQQHNVHVJPRZ-DLBZAZTESA-N 1 3 324.513 2.234 20 0 DEADHO CC[C@@]1(C(=O)Nc2ccc(OCCN(C)C)cc2)CCC[NH2+]1 ZINC000128888761 196001157 /nfs/dbraw/zinc/00/11/57/196001157.db2.gz VDYCXKCLBPMJJK-KRWDZBQOSA-N 1 3 305.422 2.098 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CCCCN2)C1 ZINC000237683322 287272665 /nfs/dbraw/zinc/27/26/65/287272665.db2.gz KLBRRPFAYMILIU-IXDOHACOSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CCCCN2)C1 ZINC000237683322 287272666 /nfs/dbraw/zinc/27/26/66/287272666.db2.gz KLBRRPFAYMILIU-IXDOHACOSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000290182359 287314906 /nfs/dbraw/zinc/31/49/06/287314906.db2.gz PRAZRFJCDWVSHC-RDJZCZTQSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)N1CCC[C@H](C)C1 ZINC000189853779 225066906 /nfs/dbraw/zinc/06/69/06/225066906.db2.gz NMOMHKSRDKXFAW-HOTGVXAUSA-N 1 3 324.513 2.233 20 0 DEADHO CC[C@@]1(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CCC[NH2+]1 ZINC000192548982 287409663 /nfs/dbraw/zinc/40/96/63/287409663.db2.gz VYGRJMRIIWDDLD-HKUYNNGSSA-N 1 3 311.429 2.488 20 0 DEADHO C[C@H](C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)N1[C@H](C)CC[C@@H]1C ZINC000413668569 228355372 /nfs/dbraw/zinc/35/53/72/228355372.db2.gz KAAOCLHZOKXLHX-QKPAOTATSA-N 1 3 309.498 2.436 20 0 DEADHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H](CO)Cc1c[nH]c2ccccc12 ZINC000415090020 228628768 /nfs/dbraw/zinc/62/87/68/228628768.db2.gz ZOIDFPBTRMNNBH-KBMXLJTQSA-N 1 3 301.434 2.192 20 0 DEADHO C[C@H](CC[NH3+])NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000417825887 229115617 /nfs/dbraw/zinc/11/56/17/229115617.db2.gz BTIQKMJGDYTZJL-VYDXJSESSA-N 1 3 318.465 2.076 20 0 DEADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000417885273 229134186 /nfs/dbraw/zinc/13/41/86/229134186.db2.gz YDNYZDDRJGSXAS-YOEHRIQHSA-N 1 3 322.497 2.020 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000418094242 229217479 /nfs/dbraw/zinc/21/74/79/229217479.db2.gz DNBACZFPEHKTMX-KKUMJFAQSA-N 1 3 310.486 2.018 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418321370 229309776 /nfs/dbraw/zinc/30/97/76/229309776.db2.gz RSBKAHYMRSSDQS-QGZVFWFLSA-N 1 3 324.513 2.140 20 0 DEADHO C[C@H]1[C@@H](NC(=O)NC(C)(C)CC[NH3+])CCN1Cc1ccccc1 ZINC000422623549 230156603 /nfs/dbraw/zinc/15/66/03/230156603.db2.gz WMSGVBKFUUZRMD-HOCLYGCPSA-N 1 3 318.465 2.076 20 0 DEADHO C[C@@H]1C[C@@H](C)N(CCC(=O)Nc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000422632005 230160443 /nfs/dbraw/zinc/16/04/43/230160443.db2.gz GFIALQFLOLLOEZ-MCIONIFRSA-N 1 3 307.413 2.460 20 0 DEADHO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccc(F)cc2)C[C@@H]1CN ZINC000422632005 230160448 /nfs/dbraw/zinc/16/04/48/230160448.db2.gz GFIALQFLOLLOEZ-MCIONIFRSA-N 1 3 307.413 2.460 20 0 DEADHO C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccc(F)cc2)C[C@@H]1CN ZINC000422632005 230160450 /nfs/dbraw/zinc/16/04/50/230160450.db2.gz GFIALQFLOLLOEZ-MCIONIFRSA-N 1 3 307.413 2.460 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)NC1CC[NH+](CC2CC2)CC1 ZINC000422699816 230170420 /nfs/dbraw/zinc/17/04/20/230170420.db2.gz BFLMPNWQQYQQRU-ZDUSSCGKSA-N 1 3 302.466 2.374 20 0 DEADHO NC[C@H]1CCC[C@H]1[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000422702108 230171093 /nfs/dbraw/zinc/17/10/93/230171093.db2.gz DFLCWSYLUVWVMT-HZPDHXFCSA-N 1 3 311.539 2.455 20 0 DEADHO c1ccc(CCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000422732474 230181091 /nfs/dbraw/zinc/18/10/91/230181091.db2.gz OLOCQVTVCUUMPN-MJGOQNOKSA-N 1 3 309.413 2.470 20 0 DEADHO COc1ccc([C@@H](CN[C@H](C)C2C[NH2+]C2)N2CCCC2)cc1 ZINC000422762215 230194523 /nfs/dbraw/zinc/19/45/23/230194523.db2.gz SCEZPEQVYXBQAC-RDTXWAMCSA-N 1 3 303.450 2.030 20 0 DEADHO Cc1cccc(N2CCC([NH2+][C@H](C)[C@@H]3CCCCN3)CC2)n1 ZINC000422769242 230199572 /nfs/dbraw/zinc/19/95/72/230199572.db2.gz VJYKHGBBDZCTCD-WBVHZDCISA-N 1 3 302.466 2.479 20 0 DEADHO Cc1cccc(N2CCC(N[C@H](C)[C@@H]3CCCC[NH2+]3)CC2)n1 ZINC000422769242 230199579 /nfs/dbraw/zinc/19/95/79/230199579.db2.gz VJYKHGBBDZCTCD-WBVHZDCISA-N 1 3 302.466 2.479 20 0 DEADHO CN(C)C(=O)c1cccc(CCN[C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422777383 230205632 /nfs/dbraw/zinc/20/56/32/230205632.db2.gz FMKKGRYZCSMMIO-DLBZAZTESA-N 1 3 303.450 2.181 20 0 DEADHO Cc1cccc([C@H](CN[C@H](C)C[C@@H](C)[NH3+])N2CCOCC2)c1 ZINC000422870538 230252095 /nfs/dbraw/zinc/25/20/95/230252095.db2.gz YVXQTWDMWGPZGX-NUJGCVRESA-N 1 3 305.466 2.084 20 0 DEADHO Cc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])c(N2CCOCC2)c1 ZINC000422869636 230252737 /nfs/dbraw/zinc/25/27/37/230252737.db2.gz WMXVHVOACISHJQ-AEFFLSMTSA-N 1 3 317.477 2.439 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NCc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000422908793 230273257 /nfs/dbraw/zinc/27/32/57/230273257.db2.gz ZHRSGFBFMTYPHA-XHSDSOJGSA-N 1 3 305.466 2.123 20 0 DEADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3CCC[C@H]3C[NH3+])c2)CCO1 ZINC000422908100 230273630 /nfs/dbraw/zinc/27/36/30/230273630.db2.gz YAPFJVGMQZEBFM-AYOQOUSVSA-N 1 3 317.477 2.124 20 0 DEADHO N[C@@H]1CCC[C@@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000422933618 230282622 /nfs/dbraw/zinc/28/26/22/230282622.db2.gz BNQQRIANZBNZHO-MOPGFXCFSA-N 1 3 316.493 2.058 20 0 DEADHO COc1cc([C@H](C)[NH2+][C@H]2CCCCC[C@@H]2N)ccc1OCCO ZINC000422970879 230300856 /nfs/dbraw/zinc/30/08/56/230300856.db2.gz HIHBHCIRGVUVPV-BPUTZDHNSA-N 1 3 322.449 2.377 20 0 DEADHO [NH3+]C[C@H]1CCC[C@@H]1NCCOc1ccc(C(F)(F)F)cn1 ZINC000422986921 230305764 /nfs/dbraw/zinc/30/57/64/230305764.db2.gz DVUITWVSVAIHAO-PWSUYJOCSA-N 1 3 303.328 2.196 20 0 DEADHO [NH3+]C[C@H]1CCC[C@@H]1NCCOc1ncccc1C(F)(F)F ZINC000422996009 230309701 /nfs/dbraw/zinc/30/97/01/230309701.db2.gz KUGFMFPHHOLKCB-PWSUYJOCSA-N 1 3 303.328 2.196 20 0 DEADHO [NH3+]C[C@H]1CCC[C@@H]1NCCOc1cccc(C(F)(F)F)n1 ZINC000423013180 230316658 /nfs/dbraw/zinc/31/66/58/230316658.db2.gz MGHNBDAWNPLUQJ-MNOVXSKESA-N 1 3 303.328 2.196 20 0 DEADHO Cc1ccccc1C[C@H](CO)N[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423062531 230334603 /nfs/dbraw/zinc/33/46/03/230334603.db2.gz UJXQQYZTAQVPSZ-DBVUQKKJSA-N 1 3 312.457 2.447 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCc1ccccc1OC(F)F ZINC000423072879 230338077 /nfs/dbraw/zinc/33/80/77/230338077.db2.gz QIMYOXVDSCGKFH-FPMFFAJLSA-N 1 3 314.376 2.172 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000423072879 230338080 /nfs/dbraw/zinc/33/80/80/230338080.db2.gz QIMYOXVDSCGKFH-FPMFFAJLSA-N 1 3 314.376 2.172 20 0 DEADHO c1cc2cc(CCN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)ccc2[nH]1 ZINC000423093691 230347697 /nfs/dbraw/zinc/34/76/97/230347697.db2.gz ABAUKJMDQKNXCG-YTQUADARSA-N 1 3 313.445 2.457 20 0 DEADHO O[C@@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000423114355 230354799 /nfs/dbraw/zinc/35/47/99/230354799.db2.gz VHKUSNIDIPLOCL-YDZRNGNQSA-N 1 3 302.462 2.490 20 0 DEADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)CC[N@@H+]1C ZINC000648798857 424909067 /nfs/dbraw/zinc/90/90/67/424909067.db2.gz AUVIPZJBWYYLSR-KBAYOESNSA-N 1 3 315.461 2.060 20 0 DEADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)CC[N@H+]1C ZINC000648798857 424909070 /nfs/dbraw/zinc/90/90/70/424909070.db2.gz AUVIPZJBWYYLSR-KBAYOESNSA-N 1 3 315.461 2.060 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)N(C)C)cc1 ZINC000648719856 424897630 /nfs/dbraw/zinc/89/76/30/424897630.db2.gz OTOREMZLGAWGFB-OLMNPRSZSA-N 1 3 317.477 2.308 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)N(C)C)cc1 ZINC000648719856 424897632 /nfs/dbraw/zinc/89/76/32/424897632.db2.gz OTOREMZLGAWGFB-OLMNPRSZSA-N 1 3 317.477 2.308 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000648746959 424901388 /nfs/dbraw/zinc/90/13/88/424901388.db2.gz WHEFDSPRJBRZSY-BURFUSLBSA-N 1 3 315.461 2.278 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000648746959 424901389 /nfs/dbraw/zinc/90/13/89/424901389.db2.gz WHEFDSPRJBRZSY-BURFUSLBSA-N 1 3 315.461 2.278 20 0 DEADHO C[C@@H]1CCN(C)CCN1C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416162650 424954902 /nfs/dbraw/zinc/95/49/02/424954902.db2.gz VSIYGQQTXJZPAV-NVXWUHKLSA-N 1 3 303.450 2.232 20 0 DEADHO C[C@H]1CCN[C@H](C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000649328721 424994225 /nfs/dbraw/zinc/99/42/25/424994225.db2.gz CNAVSPCQNXGSCQ-YOEHRIQHSA-N 1 3 319.449 2.344 20 0 DEADHO CC(C)(C)c1n[nH]cc1CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650706625 425039756 /nfs/dbraw/zinc/03/97/56/425039756.db2.gz OLYUTWQVZDJMNN-CWRNSKLLSA-N 1 3 320.481 2.426 20 0 DEADHO CCCn1cc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cn1 ZINC000650723779 425042486 /nfs/dbraw/zinc/04/24/86/425042486.db2.gz TYOPCHREEXOUJE-BRWVUGGUSA-N 1 3 306.454 2.154 20 0 DEADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000660612024 425175336 /nfs/dbraw/zinc/17/53/36/425175336.db2.gz QPBBAMORCQSEFX-BZUAXINKSA-N 1 3 324.513 2.421 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000660634253 425184043 /nfs/dbraw/zinc/18/40/43/425184043.db2.gz NOEQTECKLPWXJX-HUUCEWRRSA-N 1 3 310.486 2.033 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000660634253 425184048 /nfs/dbraw/zinc/18/40/48/425184048.db2.gz NOEQTECKLPWXJX-HUUCEWRRSA-N 1 3 310.486 2.033 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)N[C@H]2CCC[NH2+]CC2)c1 ZINC000666858115 425198602 /nfs/dbraw/zinc/19/86/02/425198602.db2.gz YADYVPBYLKXKTQ-KBPBESRZSA-N 1 3 305.422 2.144 20 0 DEADHO CN(C)C(=O)CCCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000653493258 425158465 /nfs/dbraw/zinc/15/84/65/425158465.db2.gz PSRYZWVLHZVMLU-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2CCOc2ccccc2)C1 ZINC000652361029 425249449 /nfs/dbraw/zinc/24/94/49/425249449.db2.gz WSYIVYMUVAWTGL-BPQIPLTHSA-N 1 3 304.434 2.426 20 0 DEADHO CN(C)Cc1cccc(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000653936360 425257742 /nfs/dbraw/zinc/25/77/42/425257742.db2.gz SAPRBDQGKZANFV-FZNQNYSPSA-N 1 3 304.438 2.210 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000653955137 425259629 /nfs/dbraw/zinc/25/96/29/425259629.db2.gz LUVBLEXJZCNYPU-BRWVUGGUSA-N 1 3 322.497 2.033 20 0 DEADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000653955137 425259632 /nfs/dbraw/zinc/25/96/32/425259632.db2.gz LUVBLEXJZCNYPU-BRWVUGGUSA-N 1 3 322.497 2.033 20 0 DEADHO C[N@@H+]1CC[C@H](NC[C@]2(CO)CCc3ccccc32)[C@H]2CCC[C@@H]21 ZINC000652227561 425218282 /nfs/dbraw/zinc/21/82/82/425218282.db2.gz JXDJVKXTKNZHGN-GTAWCEEGSA-N 1 3 314.473 2.325 20 0 DEADHO C[N@H+]1CC[C@H](NC[C@]2(CO)CCc3ccccc32)[C@H]2CCC[C@@H]21 ZINC000652227561 425218285 /nfs/dbraw/zinc/21/82/85/425218285.db2.gz JXDJVKXTKNZHGN-GTAWCEEGSA-N 1 3 314.473 2.325 20 0 DEADHO COCc1csc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000657364276 425318465 /nfs/dbraw/zinc/31/84/65/425318465.db2.gz KHYQXWYDKSMEMU-CQSZACIVSA-N 1 3 324.490 2.485 20 0 DEADHO CC[NH+](CC)CCCNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654347000 425330379 /nfs/dbraw/zinc/33/03/79/425330379.db2.gz OLFQLHMDFTZUML-CVEARBPZSA-N 1 3 310.486 2.034 20 0 DEADHO CC1CCN(CCNC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654374480 425335887 /nfs/dbraw/zinc/33/58/87/425335887.db2.gz OQHBJNQCGOKOAM-IAGOWNOFSA-N 1 3 322.497 2.034 20 0 DEADHO CC1CCN(CCNC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000654374480 425335890 /nfs/dbraw/zinc/33/58/90/425335890.db2.gz OQHBJNQCGOKOAM-IAGOWNOFSA-N 1 3 322.497 2.034 20 0 DEADHO C[NH+](C)CC1CCC(NC(=O)NC[C@@H]2CCN2C(C)(C)C)CC1 ZINC000660941182 425282181 /nfs/dbraw/zinc/28/21/81/425282181.db2.gz UJGBICKPJMFAAN-GPANFISMSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1CCCC1 ZINC000664120465 425310472 /nfs/dbraw/zinc/31/04/72/425310472.db2.gz ULSZCGMKXSKQIE-LSDHHAIUSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1CCCC1 ZINC000664120465 425310476 /nfs/dbraw/zinc/31/04/76/425310476.db2.gz ULSZCGMKXSKQIE-LSDHHAIUSA-N 1 3 312.502 2.136 20 0 DEADHO CC[NH+]1CCC(CNC(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000654419225 425347894 /nfs/dbraw/zinc/34/78/94/425347894.db2.gz NHUQQFMURBNIFZ-IAGOWNOFSA-N 1 3 322.497 2.034 20 0 DEADHO CCC[NH+]1CCC(NC(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000654460081 425359354 /nfs/dbraw/zinc/35/93/54/425359354.db2.gz KXABCFOFHYBCHV-IRXDYDNUSA-N 1 3 322.497 2.177 20 0 DEADHO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@H]2CCN3CCC[C@H]3C2)cn1 ZINC000657691515 425387529 /nfs/dbraw/zinc/38/75/29/425387529.db2.gz STCMUCITUZCVDU-XSLAGTTESA-N 1 3 302.466 2.348 20 0 DEADHO Cn1cc(C[C@@H]2CCC[C@@H]2N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000657691515 425387533 /nfs/dbraw/zinc/38/75/33/425387533.db2.gz STCMUCITUZCVDU-XSLAGTTESA-N 1 3 302.466 2.348 20 0 DEADHO Cn1cc(C[C@@H]2CCC[C@@H]2N[C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000657691515 425387534 /nfs/dbraw/zinc/38/75/34/425387534.db2.gz STCMUCITUZCVDU-XSLAGTTESA-N 1 3 302.466 2.348 20 0 DEADHO CCC[NH+]1CCC(CNC(=O)NC[C@H]2CCN2C(C)(C)C)CC1 ZINC000661401105 425398789 /nfs/dbraw/zinc/39/87/89/425398789.db2.gz NNJSNBMYWLISQX-MRXNPFEDSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CCO1 ZINC000657612890 425375633 /nfs/dbraw/zinc/37/56/33/425375633.db2.gz DLVIVOHMTYLBSK-QAPCUYQASA-N 1 3 303.450 2.451 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000654728258 425423114 /nfs/dbraw/zinc/42/31/14/425423114.db2.gz CCLPQEHXXZFISL-IXDOHACOSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@H](CCNC(=O)NC[C@@H]1CCN1C(C)(C)C)[NH+]1CCCCC1 ZINC000664643425 425430030 /nfs/dbraw/zinc/43/00/30/425430030.db2.gz FOQMUCOAOLCJNL-CVEARBPZSA-N 1 3 324.513 2.423 20 0 DEADHO c1cc2n(n1)CCC[C@@H]2NCC1CC[NH+](C2CCOCC2)CC1 ZINC000658071782 425434643 /nfs/dbraw/zinc/43/46/43/425434643.db2.gz ZFEGHYWXHWRTEF-KRWDZBQOSA-N 1 3 318.465 2.199 20 0 DEADHO CC(C)n1cc([C@@H](C)N[C@@H](C)CN(C)CCC[NH+](C)C)cn1 ZINC000658110444 425440337 /nfs/dbraw/zinc/44/03/37/425440337.db2.gz XKDUUWLBEVENKV-JKSUJKDBSA-N 1 3 309.502 2.387 20 0 DEADHO C[C@H]([NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)C1CCOCC1 ZINC000658138354 425444645 /nfs/dbraw/zinc/44/46/45/425444645.db2.gz JHDMTTZYJGJVLV-KXBFYZLASA-N 1 3 318.461 2.158 20 0 DEADHO C[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1ccc(OCCN(C)C)cc1 ZINC000658160308 425447970 /nfs/dbraw/zinc/44/79/70/425447970.db2.gz NCEWWFYEHNVDRK-CABCVRRESA-N 1 3 306.450 2.439 20 0 DEADHO O=C(NCCC1CC[NH2+]CC1)c1cccc(CN2CCCC2)c1 ZINC000653271648 425448688 /nfs/dbraw/zinc/44/86/88/425448688.db2.gz CZBCCELEUNBKDI-UHFFFAOYSA-N 1 3 315.461 2.402 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CCN1C ZINC000658168547 425450579 /nfs/dbraw/zinc/45/05/79/425450579.db2.gz XNTPBBQWFPKYRH-QFBILLFUSA-N 1 3 316.493 2.366 20 0 DEADHO C[C@H](Cn1cccn1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165365 425451043 /nfs/dbraw/zinc/45/10/43/425451043.db2.gz ITJIDIBEKQZUBA-MRXNPFEDSA-N 1 3 313.449 2.168 20 0 DEADHO C[C@H]1CCN(CC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000654949536 425470624 /nfs/dbraw/zinc/47/06/24/425470624.db2.gz WEJBHEPNHBDTKE-AOCRQIFASA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)(C)N1CCC([NH2+]CC(C)(C)[C@]2(O)CCCOC2)CC1 ZINC000658307748 425471293 /nfs/dbraw/zinc/47/12/93/425471293.db2.gz BPHFMXULJLHPDN-SFHVURJKSA-N 1 3 312.498 2.407 20 0 DEADHO CC(C)(C)[NH+]1CCC(NCC(C)(C)[C@]2(O)CCCOC2)CC1 ZINC000658307748 425471297 /nfs/dbraw/zinc/47/12/97/425471297.db2.gz BPHFMXULJLHPDN-SFHVURJKSA-N 1 3 312.498 2.407 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000664915550 425478609 /nfs/dbraw/zinc/47/86/09/425478609.db2.gz IFDFHDKJQXDEDY-JKSUJKDBSA-N 1 3 312.502 2.233 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000664915550 425478613 /nfs/dbraw/zinc/47/86/13/425478613.db2.gz IFDFHDKJQXDEDY-JKSUJKDBSA-N 1 3 312.502 2.233 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C1CC1)C1CCC1 ZINC000665082409 425502426 /nfs/dbraw/zinc/50/24/26/425502426.db2.gz RWPULHLPQVADJI-WMLDXEAASA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C1CC1)C1CCC1 ZINC000665082409 425502429 /nfs/dbraw/zinc/50/24/29/425502429.db2.gz RWPULHLPQVADJI-WMLDXEAASA-N 1 3 324.513 2.136 20 0 DEADHO C[C@H](NCC12CC(C1)C[NH2+]2)c1ccc(OCCN(C)C)cc1 ZINC000665278075 425534331 /nfs/dbraw/zinc/53/43/31/425534331.db2.gz URWQIVLEGKGCTA-SYJJWHGVSA-N 1 3 303.450 2.030 20 0 DEADHO C[NH2+]CCCC(=O)N1CCC(N[C@H](C)c2ccc(C)o2)CC1 ZINC000665285735 425535257 /nfs/dbraw/zinc/53/52/57/425535257.db2.gz VHDXGQOIQDSXQB-CQSZACIVSA-N 1 3 307.438 2.229 20 0 DEADHO C[NH2+]CCCC(=O)N1CCC(N[C@H](C)c2csc(C)n2)CC1 ZINC000665289774 425537795 /nfs/dbraw/zinc/53/77/95/425537795.db2.gz XAOSNUCPGAMYKG-GFCCVEGCSA-N 1 3 324.494 2.093 20 0 DEADHO CCN(C(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1)[C@H]1CCN(C)C1 ZINC000664981383 425489258 /nfs/dbraw/zinc/48/92/58/425489258.db2.gz ABSMUWSNOWRYOZ-IRXDYDNUSA-N 1 3 324.513 2.233 20 0 DEADHO CCN(C(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1)[C@@H]1CCN(C)C1 ZINC000664981382 425489772 /nfs/dbraw/zinc/48/97/72/425489772.db2.gz ABSMUWSNOWRYOZ-DLBZAZTESA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)(C)N1CC[C@H]1CNC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000665356554 425552400 /nfs/dbraw/zinc/55/24/00/425552400.db2.gz SOIZKBZHBAMOHV-AWEZNQCLSA-N 1 3 310.486 2.033 20 0 DEADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000659315868 425575536 /nfs/dbraw/zinc/57/55/36/425575536.db2.gz WHVFMPXXMWGJQU-BPQIPLTHSA-N 1 3 313.445 2.164 20 0 DEADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000659315868 425575541 /nfs/dbraw/zinc/57/55/41/425575541.db2.gz WHVFMPXXMWGJQU-BPQIPLTHSA-N 1 3 313.445 2.164 20 0 DEADHO O[C@@H]1CCN(C2CC[NH+](CCCOCc3ccccc3)CC2)C1 ZINC000662153722 425577256 /nfs/dbraw/zinc/57/72/56/425577256.db2.gz TUMNEOYYNUIXSD-LJQANCHMSA-N 1 3 318.461 2.124 20 0 DEADHO [NH3+][C@@H]1Cc2ccccc2N(C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000659326450 425578864 /nfs/dbraw/zinc/57/88/64/425578864.db2.gz ZXRQNNSJXWWOGB-NVXWUHKLSA-N 1 3 307.397 2.138 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000655495090 425581647 /nfs/dbraw/zinc/58/16/47/425581647.db2.gz SPIOTUKGWAXVCT-UHFFFAOYSA-N 1 3 301.434 2.236 20 0 DEADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000665552587 425593190 /nfs/dbraw/zinc/59/31/90/425593190.db2.gz FGHVSEFMGVMRSH-BZUAXINKSA-N 1 3 322.497 2.127 20 0 DEADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000665553924 425595387 /nfs/dbraw/zinc/59/53/87/425595387.db2.gz BZSCXQIZJQKGHV-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@H]2CCN(C(C)(C)C)C2)C1 ZINC000665555563 425596295 /nfs/dbraw/zinc/59/62/95/425596295.db2.gz GPAZWZMZMQHQEL-GJZGRUSLSA-N 1 3 310.486 2.031 20 0 DEADHO CN(CC(C)(C)[NH3+])C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000659422968 425600325 /nfs/dbraw/zinc/60/03/25/425600325.db2.gz HGHVRVKRPXVXFK-MRXNPFEDSA-N 1 3 318.465 2.202 20 0 DEADHO C[NH2+]C[C@H](C)NC(=O)NCc1ccccc1CN1CCCCC1 ZINC000659429293 425601173 /nfs/dbraw/zinc/60/11/73/425601173.db2.gz PTEMBNIDGUFPPK-HNNXBMFYSA-N 1 3 318.465 2.080 20 0 DEADHO CN(CC(C)(C)[NH3+])C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000659436150 425602736 /nfs/dbraw/zinc/60/27/36/425602736.db2.gz PWABDAPWHLAUEB-MRXNPFEDSA-N 1 3 318.465 2.202 20 0 DEADHO COc1ccccc1C[C@H](C)[N@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662257830 425603366 /nfs/dbraw/zinc/60/33/66/425603366.db2.gz QRAVRSSRDXCFPZ-GOEBONIOSA-N 1 3 304.434 2.079 20 0 DEADHO COc1ccccc1C[C@H](C)[N@@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662257830 425603368 /nfs/dbraw/zinc/60/33/68/425603368.db2.gz QRAVRSSRDXCFPZ-GOEBONIOSA-N 1 3 304.434 2.079 20 0 DEADHO CC[C@@H]([NH2+]C)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000662462363 425656772 /nfs/dbraw/zinc/65/67/72/425656772.db2.gz IXSLHYVDOWNEKE-WMLDXEAASA-N 1 3 303.450 2.326 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3c(s2)CCNC3)C1 ZINC000662486936 425664317 /nfs/dbraw/zinc/66/43/17/425664317.db2.gz YNMPMQOQCNUKBG-CYBMUJFWSA-N 1 3 321.490 2.198 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc3c(s2)CCNC3)C1 ZINC000662486936 425664320 /nfs/dbraw/zinc/66/43/20/425664320.db2.gz YNMPMQOQCNUKBG-CYBMUJFWSA-N 1 3 321.490 2.198 20 0 DEADHO CN[C@@H](C)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000662501615 425666762 /nfs/dbraw/zinc/66/67/62/425666762.db2.gz CQWNFLYYVDTHNO-CGTJXYLNSA-N 1 3 315.461 2.107 20 0 DEADHO CN[C@@H](C)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000662501615 425666771 /nfs/dbraw/zinc/66/67/71/425666771.db2.gz CQWNFLYYVDTHNO-CGTJXYLNSA-N 1 3 315.461 2.107 20 0 DEADHO CC[C@@H]([NH2+]C)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000662504358 425669240 /nfs/dbraw/zinc/66/92/40/425669240.db2.gz FBLWYIQFRZSUBR-OAHLLOKOSA-N 1 3 311.857 2.228 20 0 DEADHO O=C(c1cccc2c1CNC2)N1CCC([NH+]2CCCCC2)CC1 ZINC000662525078 425673926 /nfs/dbraw/zinc/67/39/26/425673926.db2.gz QQLHDGQSKVVORE-UHFFFAOYSA-N 1 3 313.445 2.380 20 0 DEADHO COc1ccnc(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)c1OC ZINC000662282601 425612382 /nfs/dbraw/zinc/61/23/82/425612382.db2.gz HPGODCLTVKGCAF-ZDUSSCGKSA-N 1 3 305.422 2.063 20 0 DEADHO c1cc(CN2CCS[C@@H]3COCC[C@H]32)c2c(c1)C[NH2+]CC2 ZINC000662283989 425613921 /nfs/dbraw/zinc/61/39/21/425613921.db2.gz DVPRDKINZAHGSJ-IAGOWNOFSA-N 1 3 304.459 2.039 20 0 DEADHO C[NH2+]C[C@H](C)NC(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000659483253 425614577 /nfs/dbraw/zinc/61/45/77/425614577.db2.gz VUOMBHOOFDURDI-RDJZCZTQSA-N 1 3 320.481 2.050 20 0 DEADHO CC[C@@H](C)N[C@H](CNC(=O)N(C)CC(C)(C)[NH3+])c1ccco1 ZINC000659491654 425615131 /nfs/dbraw/zinc/61/51/31/425615131.db2.gz CNYCSCPGAOUNHR-CHWSQXEVSA-N 1 3 310.442 2.088 20 0 DEADHO C[C@H](NC(=O)NCC1([NH3+])CCCC1)[C@H](c1ccccc1)N(C)C ZINC000659492861 425615339 /nfs/dbraw/zinc/61/53/39/425615339.db2.gz RZQFGXAVBSLOAU-GOEBONIOSA-N 1 3 318.465 2.249 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)NCC2([NH3+])CCCC2)cc1 ZINC000659512908 425619129 /nfs/dbraw/zinc/61/91/29/425619129.db2.gz RUIFMROAKZLDMS-INIZCTEOSA-N 1 3 318.465 2.381 20 0 DEADHO CCCCC[N@@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662334720 425627884 /nfs/dbraw/zinc/62/78/84/425627884.db2.gz CFOCHQKFEDIIMD-OAHLLOKOSA-N 1 3 305.470 2.189 20 0 DEADHO CCCCC[N@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662334720 425627887 /nfs/dbraw/zinc/62/78/87/425627887.db2.gz CFOCHQKFEDIIMD-OAHLLOKOSA-N 1 3 305.470 2.189 20 0 DEADHO C[C@H]1CCCCN1CC[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000655691039 425629779 /nfs/dbraw/zinc/62/97/79/425629779.db2.gz NKHUPMKODPJBOF-WMZOPIPTSA-N 1 3 309.498 2.094 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)NCC1([NH3+])CCCC1 ZINC000659579350 425631388 /nfs/dbraw/zinc/63/13/88/425631388.db2.gz ZYDIUFGEHUEHAW-UHFFFAOYSA-N 1 3 310.486 2.165 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662360431 425632116 /nfs/dbraw/zinc/63/21/16/425632116.db2.gz HAEHUSULRVSNIC-SJORKVTESA-N 1 3 315.461 2.279 20 0 DEADHO CCCN1CC[C@H](NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000659610297 425636541 /nfs/dbraw/zinc/63/65/41/425636541.db2.gz NTNVFIMGJRLUMT-IXDOHACOSA-N 1 3 322.497 2.034 20 0 DEADHO CCCCN1CCCC[C@@H]1C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000655715026 425637161 /nfs/dbraw/zinc/63/71/61/425637161.db2.gz HWHJFIPLHMQYQS-RTBURBONSA-N 1 3 323.525 2.484 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C[C@@H]1NCc2ccccc21 ZINC000662386760 425638307 /nfs/dbraw/zinc/63/83/07/425638307.db2.gz HNGQZWYJRPQUBY-PBHICJAKSA-N 1 3 301.434 2.212 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCNC(=O)C[C@@H]1NCc2ccccc21 ZINC000662386760 425638309 /nfs/dbraw/zinc/63/83/09/425638309.db2.gz HNGQZWYJRPQUBY-PBHICJAKSA-N 1 3 301.434 2.212 20 0 DEADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CC1([NH3+])CC1 ZINC000662789531 425736870 /nfs/dbraw/zinc/73/68/70/425736870.db2.gz ZCZXHUNNRNAUGS-UHFFFAOYSA-N 1 3 309.841 2.112 20 0 DEADHO CN(C)[C@H](CNC(=O)C1([NH2+]C2CC2)CCC1)c1ccccc1 ZINC000662661493 425706005 /nfs/dbraw/zinc/70/60/05/425706005.db2.gz RAZWNFYNZCJNPU-MRXNPFEDSA-N 1 3 301.434 2.080 20 0 DEADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662750214 425727835 /nfs/dbraw/zinc/72/78/35/425727835.db2.gz LEDZRHFVGMGFPW-BZSNNMDCSA-N 1 3 315.461 2.094 20 0 DEADHO N[C@@H]1CCC[C@@H]([NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)C1 ZINC000656199049 425729624 /nfs/dbraw/zinc/72/96/24/425729624.db2.gz CXXPGKFEMSKNEN-TZMCWYRMSA-N 1 3 324.856 2.132 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2CCN2C(C)(C)C)CC1 ZINC000660248664 425775654 /nfs/dbraw/zinc/77/56/54/425775654.db2.gz SAUNFCORCSYUQQ-HNNXBMFYSA-N 1 3 310.486 2.031 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000660325315 425793172 /nfs/dbraw/zinc/79/31/72/425793172.db2.gz VOGRDZBAWAYFQW-QGZVFWFLSA-N 1 3 318.465 2.032 20 0 DEADHO O=C(N[C@@H]1CCN(C2CCCCC2)C1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000662874982 425753562 /nfs/dbraw/zinc/75/35/62/425753562.db2.gz MFRPKVKEOSAIIO-MVJTYMMSSA-N 1 3 319.493 2.430 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000662886457 425756721 /nfs/dbraw/zinc/75/67/21/425756721.db2.gz FTNRRSZSVSGJMZ-YVSFHVDLSA-N 1 3 307.482 2.144 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000660450123 425816495 /nfs/dbraw/zinc/81/64/95/425816495.db2.gz CPQOKORCCYIBJV-CVEARBPZSA-N 1 3 324.513 2.280 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000660450123 425816496 /nfs/dbraw/zinc/81/64/96/425816496.db2.gz CPQOKORCCYIBJV-CVEARBPZSA-N 1 3 324.513 2.280 20 0 DEADHO CN1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000660472468 425819013 /nfs/dbraw/zinc/81/90/13/425819013.db2.gz LBQWGFFYGPJYKX-QZTJIDSGSA-N 1 3 309.498 2.048 20 0 DEADHO CN1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000660472468 425819016 /nfs/dbraw/zinc/81/90/16/425819016.db2.gz LBQWGFFYGPJYKX-QZTJIDSGSA-N 1 3 309.498 2.048 20 0 DEADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000370766520 269082592 /nfs/dbraw/zinc/08/25/92/269082592.db2.gz NDBDOEWLZBJVOZ-KRWDZBQOSA-N 1 3 315.461 2.381 20 0 DEADHO C[C@@H](CNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)N(C)Cc1ccccc1 ZINC000390715010 269098203 /nfs/dbraw/zinc/09/82/03/269098203.db2.gz KHPTYLOFEYAKOP-VYDXJSESSA-N 1 3 303.450 2.011 20 0 DEADHO C[C@@H]1C[C@H](C)N(CCC(=O)Nc2cccc(F)c2)C[C@@H]1C[NH3+] ZINC000397433975 269106407 /nfs/dbraw/zinc/10/64/07/269106407.db2.gz BDCHTQWDWGWLFC-RDBSUJKOSA-N 1 3 307.413 2.460 20 0 DEADHO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2cccc(F)c2)C[C@@H]1CN ZINC000397433975 269106408 /nfs/dbraw/zinc/10/64/08/269106408.db2.gz BDCHTQWDWGWLFC-RDBSUJKOSA-N 1 3 307.413 2.460 20 0 DEADHO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2cccc(F)c2)C[C@@H]1CN ZINC000397433975 269106409 /nfs/dbraw/zinc/10/64/09/269106409.db2.gz BDCHTQWDWGWLFC-RDBSUJKOSA-N 1 3 307.413 2.460 20 0 DEADHO CCN1CC[C@H](C[NH2+]C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)C1 ZINC000496707492 269243291 /nfs/dbraw/zinc/24/32/91/269243291.db2.gz HEOIUJVLLYDVAY-IIDMSEBBSA-N 1 3 323.481 2.175 20 0 DEADHO CC(C)COC(=O)N1CCCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000496883406 269262701 /nfs/dbraw/zinc/26/27/01/269262701.db2.gz LSNKLURZESERCF-INIZCTEOSA-N 1 3 311.470 2.176 20 0 DEADHO O=C1OCCN1CCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000497293351 269298961 /nfs/dbraw/zinc/29/89/61/269298961.db2.gz NFKNRIVXNRLTGE-UHFFFAOYSA-N 1 3 309.454 2.215 20 0 DEADHO O=C1OCCN1CCCNC1CC[NH+](C2CCCCC2)CC1 ZINC000497293351 269298962 /nfs/dbraw/zinc/29/89/62/269298962.db2.gz NFKNRIVXNRLTGE-UHFFFAOYSA-N 1 3 309.454 2.215 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@H]3C3CCC3)CC2)CC1 ZINC000515304024 269348730 /nfs/dbraw/zinc/34/87/30/269348730.db2.gz FEPYCWZHMLSKDF-ZWKOTPCHSA-N 1 3 319.493 2.097 20 0 DEADHO CSc1ccc(OC[C@H](O)CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000516049958 269356411 /nfs/dbraw/zinc/35/64/11/269356411.db2.gz FQICWTISYLKYSA-RRFJBIMHSA-N 1 3 324.490 2.221 20 0 DEADHO CSc1ccc(OC[C@H](O)CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000516049958 269356413 /nfs/dbraw/zinc/35/64/13/269356413.db2.gz FQICWTISYLKYSA-RRFJBIMHSA-N 1 3 324.490 2.221 20 0 DEADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)COc1ccccc1 ZINC000516643012 269366918 /nfs/dbraw/zinc/36/69/18/269366918.db2.gz SVSJUDXVDVFTOI-XGXHKWSGSA-N 1 3 318.461 2.327 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000293782694 274161666 /nfs/dbraw/zinc/16/16/66/274161666.db2.gz TZLTUYOVNDEJQH-KBPBESRZSA-N 1 3 307.438 2.200 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)NC[C@H](C)C[NH+](C)C ZINC000293782694 274161669 /nfs/dbraw/zinc/16/16/69/274161669.db2.gz TZLTUYOVNDEJQH-KBPBESRZSA-N 1 3 307.438 2.200 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000418350029 276057985 /nfs/dbraw/zinc/05/79/85/276057985.db2.gz KTGPUACMEHXUCX-GRDNDAEWSA-N 1 3 318.465 2.189 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC000074253799 277385447 /nfs/dbraw/zinc/38/54/47/277385447.db2.gz HKWUDVUFWIGATN-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000177671599 277385464 /nfs/dbraw/zinc/38/54/64/277385464.db2.gz MQVQOQBPGIMUPE-HOCLYGCPSA-N 1 3 322.497 2.031 20 0 DEADHO CC(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000423800335 277393924 /nfs/dbraw/zinc/39/39/24/277393924.db2.gz LKIMCNZTNQBGQW-NCOADZHNSA-N 1 3 307.482 2.144 20 0 DEADHO C[C@H](CNC(=O)C1CC[NH+](C2CC2)CC1)N1CCCC[C@@H]1C ZINC000338771005 278197499 /nfs/dbraw/zinc/19/74/99/278197499.db2.gz MAHSWRLPGMJSEN-LSDHHAIUSA-N 1 3 307.482 2.240 20 0 DEADHO CC1(C)CC[C@@H]1[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000284078978 278271227 /nfs/dbraw/zinc/27/12/27/278271227.db2.gz BAKHDIPMTUEFRK-KRWDZBQOSA-N 1 3 302.466 2.372 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000418232425 278979759 /nfs/dbraw/zinc/97/97/59/278979759.db2.gz DPQYNPCQBFDEFM-ULQDDVLXSA-N 1 3 324.513 2.266 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)C1 ZINC000246334080 279035253 /nfs/dbraw/zinc/03/52/53/279035253.db2.gz BSKDCLZXGGZKPL-BBWFWOEESA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)C1 ZINC000246334080 279035254 /nfs/dbraw/zinc/03/52/54/279035254.db2.gz BSKDCLZXGGZKPL-BBWFWOEESA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)C[C@H](CN(C)C)NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106534890 279129292 /nfs/dbraw/zinc/12/92/92/279129292.db2.gz HSKYDSUASHHATM-JKSUJKDBSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)C[C@H](CN(C)C)NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106534890 279129293 /nfs/dbraw/zinc/12/92/93/279129293.db2.gz HSKYDSUASHHATM-JKSUJKDBSA-N 1 3 324.513 2.279 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000354654283 279266685 /nfs/dbraw/zinc/26/66/85/279266685.db2.gz GPVNDIXWHASMJY-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccs1 ZINC000299725310 279303111 /nfs/dbraw/zinc/30/31/11/279303111.db2.gz PVRURGOOYJWLBM-CQSZACIVSA-N 1 3 309.479 2.236 20 0 DEADHO CCN1CCN(c2ccc(F)cc2[C@H](C)NCCC[NH2+]C)CC1 ZINC000420373720 279374389 /nfs/dbraw/zinc/37/43/89/279374389.db2.gz MYAKOBMUZPPEHX-HNNXBMFYSA-N 1 3 322.472 2.228 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000272255666 279408266 /nfs/dbraw/zinc/40/82/66/279408266.db2.gz MESFIHGERKQUPL-WMLDXEAASA-N 1 3 301.434 2.092 20 0 DEADHO C[C@@H]1CN(C2CCOCC2)CCN1CC[C@H]1CCCC[N@@H+]1C ZINC000369636246 288135325 /nfs/dbraw/zinc/13/53/25/288135325.db2.gz DWSYLNMMPXSSAD-IAGOWNOFSA-N 1 3 309.498 2.046 20 0 DEADHO C[C@@H]1CN(C2CCOCC2)CCN1CC[C@H]1CCCC[N@H+]1C ZINC000369636246 288135326 /nfs/dbraw/zinc/13/53/26/288135326.db2.gz DWSYLNMMPXSSAD-IAGOWNOFSA-N 1 3 309.498 2.046 20 0 DEADHO C[C@@H]1CN(CC2CC[NH+](CC[C@@H]3CCCO3)CC2)C[C@@H](C)O1 ZINC000189057685 288153463 /nfs/dbraw/zinc/15/34/63/288153463.db2.gz RVLRORBPUCEPCS-NUJGCVRESA-N 1 3 310.482 2.377 20 0 DEADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000423067128 279734974 /nfs/dbraw/zinc/73/49/74/279734974.db2.gz YNXGDWVFSUCFMG-GXTWGEPZSA-N 1 3 307.404 2.238 20 0 DEADHO C[C@H]1CCN[C@H](C(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000423360785 279739213 /nfs/dbraw/zinc/73/92/13/279739213.db2.gz QXODPIVTCOKDGJ-YOEHRIQHSA-N 1 3 307.482 2.145 20 0 DEADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000488663953 280098882 /nfs/dbraw/zinc/09/88/82/280098882.db2.gz HCFKRFIGKBUSGZ-JKSUJKDBSA-N 1 3 324.513 2.233 20 0 DEADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000488663953 280098883 /nfs/dbraw/zinc/09/88/83/280098883.db2.gz HCFKRFIGKBUSGZ-JKSUJKDBSA-N 1 3 324.513 2.233 20 0 DEADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433607629 280099915 /nfs/dbraw/zinc/09/99/15/280099915.db2.gz IEQLQWPPBIEJOD-GDBMZVCRSA-N 1 3 310.486 2.033 20 0 DEADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433607629 280099916 /nfs/dbraw/zinc/09/99/16/280099916.db2.gz IEQLQWPPBIEJOD-GDBMZVCRSA-N 1 3 310.486 2.033 20 0 DEADHO CC(C)[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N(C)C ZINC000268445817 280176180 /nfs/dbraw/zinc/17/61/80/280176180.db2.gz NXERMSHXFXKRDE-GOSISDBHSA-N 1 3 317.477 2.485 20 0 DEADHO CC[C@@H]1CCCC[C@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414205336 280273195 /nfs/dbraw/zinc/27/31/95/280273195.db2.gz XKUVTDPCPGFFDO-QZTJIDSGSA-N 1 3 323.525 2.341 20 0 DEADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000417317949 280279234 /nfs/dbraw/zinc/27/92/34/280279234.db2.gz XSGDWYHGSMIQHF-HZPDHXFCSA-N 1 3 312.502 2.122 20 0 DEADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000418120765 280279753 /nfs/dbraw/zinc/27/97/53/280279753.db2.gz WDIMGTMSHFVRRO-HZPDHXFCSA-N 1 3 310.486 2.018 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000417705043 281056066 /nfs/dbraw/zinc/05/60/66/281056066.db2.gz RWDLKPINRCCWJE-ULQDDVLXSA-N 1 3 324.513 2.315 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCN1CCC(C)CC1 ZINC000303505434 281056292 /nfs/dbraw/zinc/05/62/92/281056292.db2.gz AXIWZCAANXPHTF-KRWDZBQOSA-N 1 3 324.513 2.282 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NCCN1CCC(C)CC1 ZINC000303505434 281056293 /nfs/dbraw/zinc/05/62/93/281056293.db2.gz AXIWZCAANXPHTF-KRWDZBQOSA-N 1 3 324.513 2.282 20 0 DEADHO Cc1nc2c(s1)[C@H]([NH2+]C1CCN(CCN(C)C)CC1)CCC2 ZINC000150987413 282042867 /nfs/dbraw/zinc/04/28/67/282042867.db2.gz TWVXTSFCKUXZIJ-MRXNPFEDSA-N 1 3 322.522 2.445 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@H]2CCC[NH2+][C@H]2C)N(C)C)cc1 ZINC000342696738 288563024 /nfs/dbraw/zinc/56/30/24/288563024.db2.gz RLBFYMHIYOLQCC-WBAXXEDZSA-N 1 3 317.477 2.356 20 0 DEADHO C[C@@]1(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CCCC[NH2+]1 ZINC000237584955 289141488 /nfs/dbraw/zinc/14/14/88/289141488.db2.gz MRRAYXMUEDOADP-MJGOQNOKSA-N 1 3 315.461 2.472 20 0 DEADHO C[C@H](C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)N1CCCCCC1 ZINC000353045320 289262159 /nfs/dbraw/zinc/26/21/59/289262159.db2.gz GXKVVCFHOUVLOE-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H](C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[C@H](N)c1ccccc1 ZINC000178809191 289301538 /nfs/dbraw/zinc/30/15/38/289301538.db2.gz QWPNELQOBUMUBE-JZXOWHBKSA-N 1 3 315.461 2.267 20 0 DEADHO CN(C)[C@H]1CCCN(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000105126326 289355996 /nfs/dbraw/zinc/35/59/96/289355996.db2.gz URYKYJCQXDSUJB-DLBZAZTESA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H](CC(=O)NCCN1[C@@H](C)CCC[C@@H]1C)C1CC[NH2+]CC1 ZINC000430886871 289422683 /nfs/dbraw/zinc/42/26/83/289422683.db2.gz CLMVCRMALAUMIN-PMPSAXMXSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCCCCS(C)(=O)=O ZINC000423058993 289726442 /nfs/dbraw/zinc/72/64/42/289726442.db2.gz DRHARXDRGIYHQY-CABCVRRESA-N 1 3 304.500 2.102 20 0 DEADHO C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1CCCO1 ZINC000422829157 290031963 /nfs/dbraw/zinc/03/19/63/290031963.db2.gz HFVGIISJBJYXNZ-DNMXQMFDSA-N 1 3 302.418 2.399 20 0 DEADHO COc1cc2[nH]c(CCC[NH2+][C@H](C)C3CNC3)cc2c(OC)c1 ZINC000422861674 295028768 /nfs/dbraw/zinc/02/87/68/295028768.db2.gz JJOLHSVFRVTANH-GFCCVEGCSA-N 1 3 317.433 2.315 20 0 DEADHO COc1cc2[nH]c(CCCN[C@H](C)C3C[NH2+]C3)cc2c(OC)c1 ZINC000422861674 295028772 /nfs/dbraw/zinc/02/87/72/295028772.db2.gz JJOLHSVFRVTANH-GFCCVEGCSA-N 1 3 317.433 2.315 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]2C2CCCCC2)C1 ZINC000414679275 295215928 /nfs/dbraw/zinc/21/59/28/295215928.db2.gz RUAVYYCYYQRIEF-RDJZCZTQSA-N 1 3 307.482 2.228 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]2C2CCCCC2)C1 ZINC000414679275 295215932 /nfs/dbraw/zinc/21/59/32/295215932.db2.gz RUAVYYCYYQRIEF-RDJZCZTQSA-N 1 3 307.482 2.228 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCN1C ZINC000340866383 297277085 /nfs/dbraw/zinc/27/70/85/297277085.db2.gz GBBKUTPFRUDJBU-OLZOCXBDSA-N 1 3 310.486 2.078 20 0 DEADHO C[C@H](C(=O)N1CCCCCC1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420335551 298016044 /nfs/dbraw/zinc/01/60/44/298016044.db2.gz HZCAAYOOJKMDJP-IKGGRYGDSA-N 1 3 307.482 2.099 20 0 DEADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NC(C)(C)C[NH3+])N(C)C ZINC000418189412 302137989 /nfs/dbraw/zinc/13/79/89/302137989.db2.gz VLSZJTRXORLFEA-UKRRQHHQSA-N 1 3 306.454 2.023 20 0 DEADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCC1([NH3+])CCC1)N(C)C ZINC000418176437 302138086 /nfs/dbraw/zinc/13/80/86/302138086.db2.gz GZGVCWYZOMHVQE-GDBMZVCRSA-N 1 3 318.465 2.167 20 0 DEADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NC1CC[NH2+]CC1)N(C)C ZINC000418188956 302138094 /nfs/dbraw/zinc/13/80/94/302138094.db2.gz VAMOHAMFFVRSQS-RHSMWYFYSA-N 1 3 318.465 2.037 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)CN(C)C(C)C)[NH+](C)C ZINC000357851551 302202435 /nfs/dbraw/zinc/20/24/35/302202435.db2.gz ASJKEYFCELPRQW-YJBOKZPZSA-N 1 3 305.466 2.443 20 0 DEADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCCN(C)CCC(F)(F)F)C1 ZINC001424321541 1173758949 /nfs/dbraw/zinc/75/89/49/1173758949.db2.gz PKCUNSIKPSICFA-CYBMUJFWSA-N 1 3 323.403 2.061 20 0 DEADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)CCC(F)(F)F)C1 ZINC001424321541 1173758950 /nfs/dbraw/zinc/75/89/50/1173758950.db2.gz PKCUNSIKPSICFA-CYBMUJFWSA-N 1 3 323.403 2.061 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCC2CCCC2)[C@@H](C)C1 ZINC001424481241 1173804729 /nfs/dbraw/zinc/80/47/29/1173804729.db2.gz IIHSGHSOXAARHP-RDJZCZTQSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000565593460 325814844 /nfs/dbraw/zinc/81/48/44/325814844.db2.gz XGAAMDXWTYCCIH-QXSJWSMHSA-N 1 3 316.511 2.243 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H](N)Cc2ccccc2)C1 ZINC000574449833 326155669 /nfs/dbraw/zinc/15/56/69/326155669.db2.gz CIQBAQRDHJAELB-ZWKOTPCHSA-N 1 3 317.477 2.137 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@H](N)Cc2ccccc2)C1 ZINC000574449833 326155672 /nfs/dbraw/zinc/15/56/72/326155672.db2.gz CIQBAQRDHJAELB-ZWKOTPCHSA-N 1 3 317.477 2.137 20 0 DEADHO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000576118405 326271182 /nfs/dbraw/zinc/27/11/82/326271182.db2.gz JYWYHSHABDLAKX-YJBOKZPZSA-N 1 3 315.461 2.237 20 0 DEADHO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Cl)C1=CCN(C)CC1 ZINC000576745885 326315547 /nfs/dbraw/zinc/31/55/47/326315547.db2.gz CBTGLZQPZRNEGG-DZGCQCFKSA-N 1 3 324.852 2.320 20 0 DEADHO C[NH+](C)CC1(C(=O)N[C@H]2CCN(CCCF)C2)CCCCC1 ZINC001376148073 1159170790 /nfs/dbraw/zinc/17/07/90/1159170790.db2.gz OWHQCSBURUKLOJ-HNNXBMFYSA-N 1 3 313.461 2.049 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000583379657 332374300 /nfs/dbraw/zinc/37/43/00/332374300.db2.gz JYNQMNWQCWVDJR-GJZGRUSLSA-N 1 3 320.481 2.406 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000582903452 337213508 /nfs/dbraw/zinc/21/35/08/337213508.db2.gz AVIMHKOECXJDSW-YQQAZPJKSA-N 1 3 320.481 2.495 20 0 DEADHO COc1cccc2c1CCC[C@@H]2[NH2+]C[C@H](O)CN1CCCC1 ZINC000583003543 337227618 /nfs/dbraw/zinc/22/76/18/337227618.db2.gz NOMVQFWTYCTGPA-YOEHRIQHSA-N 1 3 304.434 2.119 20 0 DEADHO COc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H](O)CN1CCCC1 ZINC000583003540 337227639 /nfs/dbraw/zinc/22/76/39/337227639.db2.gz NOMVQFWTYCTGPA-PBHICJAKSA-N 1 3 304.434 2.119 20 0 DEADHO CC[C@@H](F)C[NH2+][C@@H](CNC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001376237451 1159268114 /nfs/dbraw/zinc/26/81/14/1159268114.db2.gz DZKMAMVZNBHHKX-CABCVRRESA-N 1 3 313.461 2.093 20 0 DEADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000398108174 337305574 /nfs/dbraw/zinc/30/55/74/337305574.db2.gz BZWUZASGUHAKHD-LMSBXDPUSA-N 1 3 315.461 2.011 20 0 DEADHO CC(C)[NH2+]CC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000398161523 337307676 /nfs/dbraw/zinc/30/76/76/337307676.db2.gz SDRHAEJSIRYAJM-DOTOQJQBSA-N 1 3 303.450 2.011 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000584528270 337356372 /nfs/dbraw/zinc/35/63/72/337356372.db2.gz KVWWYYFEMHJUKY-GVDBMIGSSA-N 1 3 307.482 2.097 20 0 DEADHO CCC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000584579171 337367688 /nfs/dbraw/zinc/36/76/88/337367688.db2.gz QLKVYIMJEWROKO-UHFFFAOYSA-N 1 3 316.449 2.328 20 0 DEADHO C[C@H]([NH2+]CCC1CC1)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001376324969 1159337662 /nfs/dbraw/zinc/33/76/62/1159337662.db2.gz BZJRJXIIXDYVRB-HOCLYGCPSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[N@H+](C)CC1CC2(CCC2)C1 ZINC001378236551 1152241077 /nfs/dbraw/zinc/24/10/77/1152241077.db2.gz RMCVEILZUZMPAL-HNNXBMFYSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[N@@H+](C)CC1CC2(CCC2)C1 ZINC001378236551 1152241079 /nfs/dbraw/zinc/24/10/79/1152241079.db2.gz RMCVEILZUZMPAL-HNNXBMFYSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccsc1 ZINC001378306556 1152286800 /nfs/dbraw/zinc/28/68/00/1152286800.db2.gz XCHXDWRGOASWQV-HIFRSBDPSA-N 1 3 309.479 2.074 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]C[C@@H](F)CC ZINC001397724742 1160421707 /nfs/dbraw/zinc/42/17/07/1160421707.db2.gz KNGCSFYYDOBIRW-PMPSAXMXSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)N(C)CC(=O)N[C@]1(C[NH2+]CC2CC2)CCCC[C@H]1C ZINC001378432781 1152326982 /nfs/dbraw/zinc/32/69/82/1152326982.db2.gz ORISQWUGMVFOJC-QAPCUYQASA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H](F)CC[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001378454716 1152335828 /nfs/dbraw/zinc/33/58/28/1152335828.db2.gz XYAGVZVDVQJTPD-KLHDSHLOSA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)C[N@H+](C)C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001377762396 1160810591 /nfs/dbraw/zinc/81/05/91/1160810591.db2.gz NXEMFUYHUXISHO-QGZVFWFLSA-N 1 3 309.498 2.155 20 0 DEADHO CC(C)C[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001377762396 1160810594 /nfs/dbraw/zinc/81/05/94/1160810594.db2.gz NXEMFUYHUXISHO-QGZVFWFLSA-N 1 3 309.498 2.155 20 0 DEADHO C[C@@H](C[NH2+]CC1CC2(CCC2)C1)N(C)C(=O)[C@H]1CCCN1C ZINC001378747566 1152433935 /nfs/dbraw/zinc/43/39/35/1152433935.db2.gz AVSUKUNEUCHUHX-GOEBONIOSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000443062713 533724802 /nfs/dbraw/zinc/72/48/02/533724802.db2.gz VEMZLXJPIIIWMX-SOUVJXGZSA-N 1 3 321.440 2.452 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC1CCN(CCF)CC1 ZINC001401074236 1161867712 /nfs/dbraw/zinc/86/77/12/1161867712.db2.gz JQEFFNZDAGMKBQ-INIZCTEOSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC1CCN(CCF)CC1 ZINC001401074236 1161867713 /nfs/dbraw/zinc/86/77/13/1161867713.db2.gz JQEFFNZDAGMKBQ-INIZCTEOSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000443648857 533898482 /nfs/dbraw/zinc/89/84/82/533898482.db2.gz GKEZTTSPHKSQDR-JKSUJKDBSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)N1CCC(C)CC1 ZINC000189969222 533910248 /nfs/dbraw/zinc/91/02/48/533910248.db2.gz SHPWUKTXITXCCG-INIZCTEOSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N(CCC[NH3+])Cc2ccccc2)CCN1C ZINC000417757247 533920059 /nfs/dbraw/zinc/92/00/59/533920059.db2.gz SXQYVWZYOADBFU-NVXWUHKLSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@@H]1CCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)C[C@@H]1C[NH3+] ZINC000417840515 533936792 /nfs/dbraw/zinc/93/67/92/533936792.db2.gz OKYPULJESJWAJY-VNQPRFMTSA-N 1 3 303.450 2.156 20 0 DEADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C)c(F)c1 ZINC001378838659 1152463355 /nfs/dbraw/zinc/46/33/55/1152463355.db2.gz ADLSWUHAPQQLCL-HNNXBMFYSA-N 1 3 323.456 2.412 20 0 DEADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(F)ccc1C ZINC001378839810 1152463573 /nfs/dbraw/zinc/46/35/73/1152463573.db2.gz FGYINYDWSPVWOF-HNNXBMFYSA-N 1 3 323.456 2.412 20 0 DEADHO COc1ccccc1N1CC[C@H](CN[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422849883 534151165 /nfs/dbraw/zinc/15/11/65/534151165.db2.gz MMMDODLOISNNHM-XHSDSOJGSA-N 1 3 303.450 2.109 20 0 DEADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1ccc(F)cc1 ZINC000422759839 534389667 /nfs/dbraw/zinc/38/96/67/534389667.db2.gz LRMVEXIMNGIALM-WZGPROSRSA-N 1 3 320.452 2.487 20 0 DEADHO CC(C)OC[C@H](C)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000337340940 519773312 /nfs/dbraw/zinc/77/33/12/519773312.db2.gz PWFDKAWIKMKLQK-KRWDZBQOSA-N 1 3 319.493 2.337 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000339461804 519852668 /nfs/dbraw/zinc/85/26/68/519852668.db2.gz MDIIVUYDWBCEPK-IAGOWNOFSA-N 1 3 307.482 2.051 20 0 DEADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)C1(N)Cc2ccccc2C1 ZINC000163429206 520627563 /nfs/dbraw/zinc/62/75/63/520627563.db2.gz AQQPACZTOPDDNM-OAHLLOKOSA-N 1 3 317.477 2.109 20 0 DEADHO c1ncc(CCN2CCC(OCC[NH+]3CCCC3)CC2)s1 ZINC000411297021 534540360 /nfs/dbraw/zinc/54/03/60/534540360.db2.gz HPAICOOBWBQKGE-UHFFFAOYSA-N 1 3 309.479 2.262 20 0 DEADHO CCCN(C)CC(=O)N1CCC2(C1)CC[NH+](CCCF)CC2 ZINC001402008931 1162214918 /nfs/dbraw/zinc/21/49/18/1162214918.db2.gz VNMIXFDLFPVKCU-UHFFFAOYSA-N 1 3 313.461 2.002 20 0 DEADHO CC[NH+]1CCC(N(C)C[C@@H](O)COCc2ccccc2F)CC1 ZINC000106388429 521562157 /nfs/dbraw/zinc/56/21/57/521562157.db2.gz CRJBYJKPQYHSCY-QGZVFWFLSA-N 1 3 324.440 2.119 20 0 DEADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2cnc(C)nc2C)CC1 ZINC000154477861 521680593 /nfs/dbraw/zinc/68/05/93/521680593.db2.gz PBSKSXBEJMYVGX-HNNXBMFYSA-N 1 3 319.497 2.162 20 0 DEADHO CC[C@H](C)[C@@H](C)N(CC(=O)NC1CC[NH+](CC)CC1)C1CC1 ZINC000104966214 521803768 /nfs/dbraw/zinc/80/37/68/521803768.db2.gz CEYWEXZEDKCVPC-LSDHHAIUSA-N 1 3 309.498 2.486 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H](C)NCCF ZINC001402044514 1162226556 /nfs/dbraw/zinc/22/65/56/1162226556.db2.gz OANKUYYMEPLRNI-LSDHHAIUSA-N 1 3 301.450 2.047 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H](C)NCCF ZINC001402044514 1162226557 /nfs/dbraw/zinc/22/65/57/1162226557.db2.gz OANKUYYMEPLRNI-LSDHHAIUSA-N 1 3 301.450 2.047 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001402068238 1162235082 /nfs/dbraw/zinc/23/50/82/1162235082.db2.gz AJRYAKIGBODLAA-MRXNPFEDSA-N 1 3 309.498 2.343 20 0 DEADHO COc1cc(OC)cc(OCCCN(C)C[C@H]2CCC[NH2+]C2)c1 ZINC000339430639 522868332 /nfs/dbraw/zinc/86/83/32/522868332.db2.gz HQCMZFYLBUAWFK-HNNXBMFYSA-N 1 3 322.449 2.404 20 0 DEADHO COc1cc(OC)cc(OCCC[N@H+](C)C[C@H]2CCCNC2)c1 ZINC000339430639 522868343 /nfs/dbraw/zinc/86/83/43/522868343.db2.gz HQCMZFYLBUAWFK-HNNXBMFYSA-N 1 3 322.449 2.404 20 0 DEADHO COc1cc(OC)cc(OCCC[N@@H+](C)C[C@H]2CCCNC2)c1 ZINC000339430639 522868352 /nfs/dbraw/zinc/86/83/52/522868352.db2.gz HQCMZFYLBUAWFK-HNNXBMFYSA-N 1 3 322.449 2.404 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000422870862 534720076 /nfs/dbraw/zinc/72/00/76/534720076.db2.gz CKGAIIIWMOEYPD-QGZVFWFLSA-N 1 3 307.482 2.275 20 0 DEADHO CC(C)(C(=O)N1CCC[C@@H](CC[NH3+])C1)[C@H](N)c1ccccc1 ZINC000417814359 527505357 /nfs/dbraw/zinc/50/53/57/527505357.db2.gz APSUBSPWWWTHKV-GOEBONIOSA-N 1 3 303.450 2.300 20 0 DEADHO CC(C)(C(=O)NCC1([NH3+])CCCCC1)[C@@H](N)c1ccccc1 ZINC000417813360 527516551 /nfs/dbraw/zinc/51/65/51/527516551.db2.gz PQAFQCWZGBPGFZ-HNNXBMFYSA-N 1 3 303.450 2.490 20 0 DEADHO CCCN(CC[NH+](CC)CC)C(=O)NC[C@H](N)c1ccccc1 ZINC000418422706 528076163 /nfs/dbraw/zinc/07/61/63/528076163.db2.gz DSBMEIFKTVBKDP-KRWDZBQOSA-N 1 3 320.481 2.450 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)NC1CC[NH2+]CC1 ZINC000418307403 528083610 /nfs/dbraw/zinc/08/36/10/528083610.db2.gz LHSMTAMDJWUXLR-UHFFFAOYSA-N 1 3 310.486 2.036 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418322609 528084193 /nfs/dbraw/zinc/08/41/93/528084193.db2.gz TXOPQUPVYAAUAH-KRWDZBQOSA-N 1 3 324.513 2.284 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)NCC[C@@H]2CC[NH2+]C2)cc1 ZINC000418340227 528143105 /nfs/dbraw/zinc/14/31/05/528143105.db2.gz CFHUGDDOEFUDHC-WMLDXEAASA-N 1 3 318.465 2.109 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)NCC[C@H]2CCC[NH2+]2)cc1 ZINC000418348273 528143448 /nfs/dbraw/zinc/14/34/48/528143448.db2.gz JAYRTJYZPQCNBQ-IAGOWNOFSA-N 1 3 318.465 2.251 20 0 DEADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H](O)CC)CC1 ZINC000422084906 528248231 /nfs/dbraw/zinc/24/82/31/528248231.db2.gz LOEGLMMHRVXUCG-QGZVFWFLSA-N 1 3 305.466 2.079 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])c1ccsc1 ZINC000417006581 528276015 /nfs/dbraw/zinc/27/60/15/528276015.db2.gz JSYXWVNMFBPXKZ-OUCADQQQSA-N 1 3 312.483 2.166 20 0 DEADHO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000418443719 528299393 /nfs/dbraw/zinc/29/93/93/528299393.db2.gz NRCMKSVEIQXBPQ-KRWDZBQOSA-N 1 3 324.513 2.267 20 0 DEADHO CC[NH2+][C@H](C)CNC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000418350187 528409942 /nfs/dbraw/zinc/40/99/42/528409942.db2.gz KZMVXJYMTGYSMC-CJNGLKHVSA-N 1 3 306.454 2.107 20 0 DEADHO CCC[NH2+]CCNC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000417705303 528491522 /nfs/dbraw/zinc/49/15/22/528491522.db2.gz NTEGLSLCVJZDOT-OAHLLOKOSA-N 1 3 320.481 2.415 20 0 DEADHO CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000418188390 528513267 /nfs/dbraw/zinc/51/32/67/528513267.db2.gz UGAJQMBVYMVZCC-USXIJHARSA-N 1 3 320.481 2.350 20 0 DEADHO CCOc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443057035 528538354 /nfs/dbraw/zinc/53/83/54/528538354.db2.gz FCDTYKHFGZMCTP-HUUCEWRRSA-N 1 3 319.449 2.473 20 0 DEADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000417309520 528942653 /nfs/dbraw/zinc/94/26/53/528942653.db2.gz ISVKRBPPMOZXST-SJORKVTESA-N 1 3 320.481 2.414 20 0 DEADHO CC(C)N(Cc1ccccc1)C(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000443058182 528948132 /nfs/dbraw/zinc/94/81/32/528948132.db2.gz JQMHWURPEIHAGS-GOSISDBHSA-N 1 3 317.477 2.484 20 0 DEADHO CCN(C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420342888 528953587 /nfs/dbraw/zinc/95/35/87/528953587.db2.gz QKCOLBWELLKTQH-SJORKVTESA-N 1 3 315.461 2.361 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000417586302 529009892 /nfs/dbraw/zinc/00/98/92/529009892.db2.gz QQIMUQISOPJUPT-DLBZAZTESA-N 1 3 322.497 2.034 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC[C@@H]([NH2+]C)C1)c1ccco1 ZINC000418167749 529182449 /nfs/dbraw/zinc/18/24/49/529182449.db2.gz NADXWWUPBOKGRO-RRFJBIMHSA-N 1 3 322.453 2.102 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@H](C)C1)c1ccco1 ZINC000418171004 529182594 /nfs/dbraw/zinc/18/25/94/529182594.db2.gz TVKOQENVTTZMSI-CBBWQLFWSA-N 1 3 322.453 2.088 20 0 DEADHO CCCN1CCN(c2ccccc2C[N@H+](CC)C[C@H](C)O)CC1 ZINC000348744639 534935913 /nfs/dbraw/zinc/93/59/13/534935913.db2.gz ZTYNBLLRFYFWAD-KRWDZBQOSA-N 1 3 319.493 2.421 20 0 DEADHO CCCN1CCN(c2ccccc2C[N@@H+](CC)C[C@H](C)O)CC1 ZINC000348744639 534935921 /nfs/dbraw/zinc/93/59/21/534935921.db2.gz ZTYNBLLRFYFWAD-KRWDZBQOSA-N 1 3 319.493 2.421 20 0 DEADHO CC(C)[NH+](CCN(C)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C)C(C)C ZINC000355960594 535059916 /nfs/dbraw/zinc/05/99/16/535059916.db2.gz LAKXGFJIABCTCN-RDJZCZTQSA-N 1 3 324.513 2.229 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](C3CCOCC3)C2)CC1 ZINC000377119406 535198270 /nfs/dbraw/zinc/19/82/70/535198270.db2.gz JDVPQHOUYYVAPN-IBGZPJMESA-N 1 3 323.525 2.151 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](C3CCOCC3)C2)CC1 ZINC000377119406 535198277 /nfs/dbraw/zinc/19/82/77/535198277.db2.gz JDVPQHOUYYVAPN-IBGZPJMESA-N 1 3 323.525 2.151 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCCN1CCC(C)CC1 ZINC000357609158 535231683 /nfs/dbraw/zinc/23/16/83/535231683.db2.gz PAZIZYTZAMOAPS-MRXNPFEDSA-N 1 3 312.502 2.138 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCCN1CCC(C)CC1 ZINC000357609158 535231686 /nfs/dbraw/zinc/23/16/86/535231686.db2.gz PAZIZYTZAMOAPS-MRXNPFEDSA-N 1 3 312.502 2.138 20 0 DEADHO CCN1CCC(N(C)C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000358632976 535455753 /nfs/dbraw/zinc/45/57/53/535455753.db2.gz QGSQFRNGPVSUSI-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CC[NH+](CC)CCNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000340656903 535532560 /nfs/dbraw/zinc/53/25/60/535532560.db2.gz FAGRCOHRNKHXIN-UHFFFAOYSA-N 1 3 312.502 2.092 20 0 DEADHO CC[C@@H](C)N[C@H](CNC(=O)NC1CC[NH+](C)CC1)c1ccco1 ZINC000349579722 535604366 /nfs/dbraw/zinc/60/43/66/535604366.db2.gz XQBCWJZNAXIMEC-UKRRQHHQSA-N 1 3 322.453 2.102 20 0 DEADHO CC[C@]1(C(=O)Nc2cccc(OCCN(C)C)c2)CCC[NH2+]1 ZINC000262375225 535882559 /nfs/dbraw/zinc/88/25/59/535882559.db2.gz XXSLFWLKYFCDDU-QGZVFWFLSA-N 1 3 305.422 2.098 20 0 DEADHO CC[C@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)[C@H]1CCOC1 ZINC000359218373 535920450 /nfs/dbraw/zinc/92/04/50/535920450.db2.gz BJZFZIJFKKNKGO-FHWLQOOXSA-N 1 3 318.461 2.158 20 0 DEADHO CN(C)Cc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000371512488 535998777 /nfs/dbraw/zinc/99/87/77/535998777.db2.gz XIHGOVWLFNGJQZ-IRXDYDNUSA-N 1 3 301.434 2.105 20 0 DEADHO CN(C)Cc1ccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000371512488 535998782 /nfs/dbraw/zinc/99/87/82/535998782.db2.gz XIHGOVWLFNGJQZ-IRXDYDNUSA-N 1 3 301.434 2.105 20 0 DEADHO CC[C@@]1(C(=O)NCCCN(C)Cc2ccccc2)CC[NH2+]C1 ZINC000368510010 536024080 /nfs/dbraw/zinc/02/40/80/536024080.db2.gz GESVWMNJMDWOJM-GOSISDBHSA-N 1 3 303.450 2.014 20 0 DEADHO CC[C@H]1CC[C@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000348374895 536099873 /nfs/dbraw/zinc/09/98/73/536099873.db2.gz GKOLJRWEDOVMLL-DOTOQJQBSA-N 1 3 303.450 2.256 20 0 DEADHO CC1(CN2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)COC1 ZINC001414038754 1152545031 /nfs/dbraw/zinc/54/50/31/1152545031.db2.gz QUJJFDJRZKFBTR-MJGOQNOKSA-N 1 3 300.446 2.477 20 0 DEADHO CC1(CN2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)COC1 ZINC001414038754 1152545022 /nfs/dbraw/zinc/54/50/22/1152545022.db2.gz QUJJFDJRZKFBTR-MJGOQNOKSA-N 1 3 300.446 2.477 20 0 DEADHO Cc1cccc(C[NH2+][C@@H](C)CCNC(=O)CN(C)C2CCC2)c1 ZINC001368717521 1148611308 /nfs/dbraw/zinc/61/13/08/1148611308.db2.gz LOTXASZMYCADIK-INIZCTEOSA-N 1 3 317.477 2.464 20 0 DEADHO C[C@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]CCc1cccs1 ZINC001379211879 1152591032 /nfs/dbraw/zinc/59/10/32/1152591032.db2.gz CPFFMSPNYLVQJX-LSDHHAIUSA-N 1 3 323.506 2.069 20 0 DEADHO CC[N@H+](CCCF)CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001368773836 1148649679 /nfs/dbraw/zinc/64/96/79/1148649679.db2.gz CVAOMZWPUFYGNB-UHFFFAOYSA-N 1 3 315.477 2.247 20 0 DEADHO CC[N@@H+](CCCF)CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001368773836 1148649685 /nfs/dbraw/zinc/64/96/85/1148649685.db2.gz CVAOMZWPUFYGNB-UHFFFAOYSA-N 1 3 315.477 2.247 20 0 DEADHO C[C@H](C[NH2+][C@H](C)c1cccc(F)c1)NC(=O)CN(C)C1CCC1 ZINC001379382999 1152617422 /nfs/dbraw/zinc/61/74/22/1152617422.db2.gz NBCKOIBQJSLSIM-ZIAGYGMSSA-N 1 3 321.440 2.465 20 0 DEADHO C[C@@H]([NH2+]C[C@H](C)NC(=O)CN(C)C1CCC1)c1ccccc1F ZINC001379513421 1152635200 /nfs/dbraw/zinc/63/52/00/1152635200.db2.gz AZZPGQQOMMNHPK-UONOGXRCSA-N 1 3 321.440 2.465 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[N@H+](C)C[C@H](C)CC(C)C ZINC001381620756 1153158681 /nfs/dbraw/zinc/15/86/81/1153158681.db2.gz IDDCKZDYHBWPBB-KGLIPLIRSA-N 1 3 308.470 2.379 20 0 DEADHO CCCCN1CCC([NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000892687693 625380992 /nfs/dbraw/zinc/38/09/92/625380992.db2.gz QTGYKOPPYOEELU-JKSUJKDBSA-N 1 3 314.445 2.474 20 0 DEADHO CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]12 ZINC001026425054 625449176 /nfs/dbraw/zinc/44/91/76/625449176.db2.gz BEYOJDIAONAHQP-FGTMMUONSA-N 1 3 315.461 2.208 20 0 DEADHO CC1(C)[C@H](NC[C@H](O)CCc2ccccc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925648793 625504553 /nfs/dbraw/zinc/50/45/53/625504553.db2.gz XWIWQYUCFQXJSL-ZJPYXAASSA-N 1 3 302.462 2.346 20 0 DEADHO CC1(C)[C@H]([NH2+]C[C@H](O)CCc2ccccc2)[C@@H]2CCCN[C@@H]21 ZINC000925648793 625504561 /nfs/dbraw/zinc/50/45/61/625504561.db2.gz XWIWQYUCFQXJSL-ZJPYXAASSA-N 1 3 302.462 2.346 20 0 DEADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@H](O)c1ccc(Cl)c(F)c1 ZINC000925654314 625530614 /nfs/dbraw/zinc/53/06/14/625530614.db2.gz AQPHFTPWCKFBQK-SQJLCCANSA-N 1 3 312.816 2.442 20 0 DEADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@H](O)c1ccc(Cl)c(F)c1 ZINC000925654314 625530620 /nfs/dbraw/zinc/53/06/20/625530620.db2.gz AQPHFTPWCKFBQK-SQJLCCANSA-N 1 3 312.816 2.442 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@H](C[NH2+]CC3CCC3)C2)CCC1 ZINC001024016652 625543379 /nfs/dbraw/zinc/54/33/79/625543379.db2.gz LNXOHYADMQSXOT-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO CCn1cc(CNCC2CC[NH+](Cc3cccs3)CC2)nn1 ZINC000892753145 625548921 /nfs/dbraw/zinc/54/89/21/625548921.db2.gz SCLWJDGCWKQQBI-UHFFFAOYSA-N 1 3 319.478 2.361 20 0 DEADHO O[C@@H](CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)Cc1ccccc1 ZINC000925671341 625590557 /nfs/dbraw/zinc/59/05/57/625590557.db2.gz PGBNMYLLJAHABO-QRVBRYPASA-N 1 3 302.462 2.348 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC000969955268 623018168 /nfs/dbraw/zinc/01/81/68/623018168.db2.gz NZISBNQBAXNNJM-SJLPKXTDSA-N 1 3 319.493 2.409 20 0 DEADHO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC000970105837 623129615 /nfs/dbraw/zinc/12/96/15/623129615.db2.gz USUWHPODSXFYLG-NVXWUHKLSA-N 1 3 312.417 2.294 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001020981875 623237156 /nfs/dbraw/zinc/23/71/56/623237156.db2.gz RAKVWTGDEQIXLJ-SHTZXODSSA-N 1 3 316.449 2.078 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CC2CCCC2)C1)N(C)C ZINC001024162748 625645514 /nfs/dbraw/zinc/64/55/14/625645514.db2.gz ZNHYKBHQKBZDQS-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC000970530223 623523832 /nfs/dbraw/zinc/52/38/32/623523832.db2.gz WXDAIGNMDREKCO-NVXWUHKLSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021680657 623950654 /nfs/dbraw/zinc/95/06/54/623950654.db2.gz YYVVJBAMYDRYCT-WBVHZDCISA-N 1 3 316.449 2.231 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021680657 623950662 /nfs/dbraw/zinc/95/06/62/623950662.db2.gz YYVVJBAMYDRYCT-WBVHZDCISA-N 1 3 316.449 2.231 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N1C[C@@H]([NH3+])C[C@@H]1C)c1ccsc1 ZINC000891349348 624047669 /nfs/dbraw/zinc/04/76/69/624047669.db2.gz TXIUUNKPKSPNMG-AEGPPILISA-N 1 3 324.494 2.262 20 0 DEADHO C[N@H+](CC1CCCCCC1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972429904 625073002 /nfs/dbraw/zinc/07/30/02/625073002.db2.gz UORUUYNEBDDZEZ-QGZVFWFLSA-N 1 3 318.465 2.455 20 0 DEADHO C[N@@H+](CC1CCCCCC1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972429904 625073007 /nfs/dbraw/zinc/07/30/07/625073007.db2.gz UORUUYNEBDDZEZ-QGZVFWFLSA-N 1 3 318.465 2.455 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC2)C1 ZINC001023130394 625164761 /nfs/dbraw/zinc/16/47/61/625164761.db2.gz LYBSJYARBCGTMF-IYBDPMFKSA-N 1 3 301.434 2.009 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001023401986 625253922 /nfs/dbraw/zinc/25/39/22/625253922.db2.gz CKMFQGVDGPIFCT-ZWKOTPCHSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001023401986 625253927 /nfs/dbraw/zinc/25/39/27/625253927.db2.gz CKMFQGVDGPIFCT-ZWKOTPCHSA-N 1 3 321.509 2.489 20 0 DEADHO CN(CC(=O)N1C[C@@H]2CC[C@H]([NH2+]CC3CCC3)[C@H]2C1)C1CCC1 ZINC001026285205 625261907 /nfs/dbraw/zinc/26/19/07/625261907.db2.gz YCKFJHVZRBAKFE-SZMVWBNQSA-N 1 3 319.493 2.097 20 0 DEADHO CCO[C@@H]1C[C@@H](NCc2cccc(C[N@H+](C)CC)c2)[C@H]1OC ZINC000892937966 625740727 /nfs/dbraw/zinc/74/07/27/625740727.db2.gz JQEHPEPSVZJSSX-KZNAEPCWSA-N 1 3 306.450 2.420 20 0 DEADHO CCO[C@@H]1C[C@@H](NCc2cccc(C[N@@H+](C)CC)c2)[C@H]1OC ZINC000892937966 625740730 /nfs/dbraw/zinc/74/07/30/625740730.db2.gz JQEHPEPSVZJSSX-KZNAEPCWSA-N 1 3 306.450 2.420 20 0 DEADHO Cc1cccc(C)c1C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001019774888 625832179 /nfs/dbraw/zinc/83/21/79/625832179.db2.gz MIPKMUYCNDVYIK-KRWDZBQOSA-N 1 3 315.461 2.090 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC1 ZINC001024523390 625837806 /nfs/dbraw/zinc/83/78/06/625837806.db2.gz PXJLSWFCVBLQTG-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CC1 ZINC001024523390 625837812 /nfs/dbraw/zinc/83/78/12/625837812.db2.gz PXJLSWFCVBLQTG-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC)C[C@H]21 ZINC000978947692 634461513 /nfs/dbraw/zinc/46/15/13/634461513.db2.gz IKTQCVMRSAEVRR-ZJPYXAASSA-N 1 3 321.509 2.345 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCC)C[C@H]21 ZINC000978947692 634461515 /nfs/dbraw/zinc/46/15/15/634461515.db2.gz IKTQCVMRSAEVRR-ZJPYXAASSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)C2CC([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC000999410322 634587247 /nfs/dbraw/zinc/58/72/47/634587247.db2.gz VAXLYIBIIRERAR-OOHWJJMZSA-N 1 3 321.509 2.343 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)C2CC([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC000999410319 634587385 /nfs/dbraw/zinc/58/73/85/634587385.db2.gz VAXLYIBIIRERAR-ODIFPOPNSA-N 1 3 321.509 2.343 20 0 DEADHO C[C@H]([NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1)c1ccccc1 ZINC000999832314 634691367 /nfs/dbraw/zinc/69/13/67/634691367.db2.gz DKQORXBGAKZRLS-ZLPCBKJTSA-N 1 3 315.461 2.422 20 0 DEADHO Cc1ccccc1C[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000999833608 634692157 /nfs/dbraw/zinc/69/21/57/634692157.db2.gz NQMWRZSJOZFGMU-UHFFFAOYSA-N 1 3 315.461 2.170 20 0 DEADHO CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC000979708969 634745634 /nfs/dbraw/zinc/74/56/34/634745634.db2.gz GBLMABBPTKTZGU-ULQDDVLXSA-N 1 3 321.509 2.488 20 0 DEADHO CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC000979708969 634745639 /nfs/dbraw/zinc/74/56/39/634745639.db2.gz GBLMABBPTKTZGU-ULQDDVLXSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CC2CCCC2)C1)N(C)C ZINC001000113849 634750339 /nfs/dbraw/zinc/75/03/39/634750339.db2.gz TWWCWWIHNSYYPC-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CCC1([NH+]2CCCC2)CCN(C(=O)N[C@H]2CCN(C)[C@H]2C)CC1 ZINC000925346380 634772217 /nfs/dbraw/zinc/77/22/17/634772217.db2.gz UAVJCAQOPNGDFF-HOTGVXAUSA-N 1 3 322.497 2.129 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001000217535 634795997 /nfs/dbraw/zinc/79/59/97/634795997.db2.gz HMDSNJZMVOGYDI-SJORKVTESA-N 1 3 321.440 2.247 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1C[C@H]([NH2+]CC2CCCC2)C(C)(C)C1 ZINC000996300271 633232188 /nfs/dbraw/zinc/23/21/88/633232188.db2.gz LCZQZPJRVSEPDR-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1CCN(CC(=O)N2C[C@H]([NH2+]CC3CCCC3)C(C)(C)C2)C1 ZINC000996302113 633233035 /nfs/dbraw/zinc/23/30/35/633233035.db2.gz WANGNSKMTADICT-RDJZCZTQSA-N 1 3 321.509 2.345 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccsc2)C1)C1CC1 ZINC001026888186 633248232 /nfs/dbraw/zinc/24/82/32/633248232.db2.gz ACIGZELMMCRINI-BBRMVZONSA-N 1 3 321.490 2.026 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2C)C1)N(C)C ZINC001026917125 633262178 /nfs/dbraw/zinc/26/21/78/633262178.db2.gz WRLIJAFSZJKIEU-FUHWJXTLSA-N 1 3 317.477 2.273 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2cccc(C)c2)C1)N(C)C ZINC001026916253 633262393 /nfs/dbraw/zinc/26/23/93/633262393.db2.gz FXDGNMLIJPZQIZ-QZTJIDSGSA-N 1 3 317.477 2.273 20 0 DEADHO CC1(C)C[C@@H](NCC2(S(C)(=O)=O)CCCCC2)C[C@@H]([NH3+])C1 ZINC000925706744 633268258 /nfs/dbraw/zinc/26/82/58/633268258.db2.gz FYGAPODZVREUBH-KGLIPLIRSA-N 1 3 316.511 2.230 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC)C(C)(C)C1 ZINC000996504489 633269676 /nfs/dbraw/zinc/26/96/76/633269676.db2.gz DPJOZVRNAIEFBE-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2ccccc2C)CC1)N(C)C ZINC000996712551 633366246 /nfs/dbraw/zinc/36/62/46/633366246.db2.gz QKLJYJIPIWPACN-GOSISDBHSA-N 1 3 317.477 2.416 20 0 DEADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2ccc(C)cc2)CC1)N(C)C ZINC000996717327 633373173 /nfs/dbraw/zinc/37/31/73/633373173.db2.gz KSTNQIVXUCFORM-GOSISDBHSA-N 1 3 317.477 2.416 20 0 DEADHO CC(C)[NH2+]C[C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027064375 633385477 /nfs/dbraw/zinc/38/54/77/633385477.db2.gz CMXLEFRALJZDGU-PBHICJAKSA-N 1 3 313.461 2.045 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001027069897 633418862 /nfs/dbraw/zinc/41/88/62/633418862.db2.gz DPVGNYMXYIQSGS-HOCLYGCPSA-N 1 3 309.498 2.201 20 0 DEADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001027217424 633500276 /nfs/dbraw/zinc/50/02/76/633500276.db2.gz KFCQUZSTTOIJJH-INIZCTEOSA-N 1 3 319.493 2.101 20 0 DEADHO CC(=O)OC[C@H](C)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000893411806 633513599 /nfs/dbraw/zinc/51/35/99/633513599.db2.gz IJCNOVOXXGCDFZ-DAYGRLMNSA-N 1 3 304.434 2.438 20 0 DEADHO CC(=O)OC[C@H](C)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000893411806 633513601 /nfs/dbraw/zinc/51/36/01/633513601.db2.gz IJCNOVOXXGCDFZ-DAYGRLMNSA-N 1 3 304.434 2.438 20 0 DEADHO O=C(CN1CCCC1)N1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC000997307399 633705333 /nfs/dbraw/zinc/70/53/33/633705333.db2.gz QCRBQWWZEYGATC-UHFFFAOYSA-N 1 3 319.424 2.002 20 0 DEADHO CC1CC(C[N@H+](C)[C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001027441349 633791944 /nfs/dbraw/zinc/79/19/44/633791944.db2.gz DYRACEIGBBXJGE-LEOMRAHMSA-N 1 3 321.509 2.440 20 0 DEADHO CC1CC(C[N@@H+](C)[C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001027441349 633791949 /nfs/dbraw/zinc/79/19/49/633791949.db2.gz DYRACEIGBBXJGE-LEOMRAHMSA-N 1 3 321.509 2.440 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[NH2+]CC2CC2)CC1 ZINC000998290277 634201702 /nfs/dbraw/zinc/20/17/02/634201702.db2.gz RRXMBMSIABRHOG-KRWDZBQOSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCC[N@@H+]2CCCC2(C)C)C1 ZINC000837174005 650170900 /nfs/dbraw/zinc/17/09/00/650170900.db2.gz BOMMOKBTKRQUFX-KRWDZBQOSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCC[N@H+]2CCCC2(C)C)C1 ZINC000837174005 650170901 /nfs/dbraw/zinc/17/09/01/650170901.db2.gz BOMMOKBTKRQUFX-KRWDZBQOSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)=CCN1CCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001027993456 635181532 /nfs/dbraw/zinc/18/15/32/635181532.db2.gz STXKECPOEVKCOX-MRXNPFEDSA-N 1 3 305.466 2.162 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CCC[C@H]([NH2+]CCF)C1)N1CCCCC1 ZINC000981090482 635305034 /nfs/dbraw/zinc/30/50/34/635305034.db2.gz CQGQSGQYVONLMS-LSDHHAIUSA-N 1 3 313.461 2.237 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000931767069 635360304 /nfs/dbraw/zinc/36/03/04/635360304.db2.gz BTYMUNWMHLNNJT-IAGOWNOFSA-N 1 3 307.482 2.336 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC2CCC2)C1 ZINC001001005570 635376969 /nfs/dbraw/zinc/37/69/69/635376969.db2.gz DVTKDZKVVYBEHS-IAGOWNOFSA-N 1 3 307.482 2.242 20 0 DEADHO [NH3+]C1CCN(CCN[C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000925817730 635602440 /nfs/dbraw/zinc/60/24/40/635602440.db2.gz WFCOIZUFARHPSL-INIZCTEOSA-N 1 3 305.470 2.044 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CCC[N@H+](CC1CCCC1)C2)N(C)C ZINC000981841997 635687456 /nfs/dbraw/zinc/68/74/56/635687456.db2.gz QJTOBGXJGWYHNL-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CCC[N@@H+](CC1CCCC1)C2)N(C)C ZINC000981841997 635687460 /nfs/dbraw/zinc/68/74/60/635687460.db2.gz QJTOBGXJGWYHNL-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC1CC[NH+](CCC2CC2)CC1 ZINC001002793143 635799551 /nfs/dbraw/zinc/79/95/51/635799551.db2.gz UXVRHBHQQRXLIF-KRWDZBQOSA-N 1 3 307.482 2.240 20 0 DEADHO CCS(=O)(=O)c1ccccc1CCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000925835155 635848547 /nfs/dbraw/zinc/84/85/47/635848547.db2.gz QVBCLUAWOFKIGC-GOEBONIOSA-N 1 3 324.490 2.000 20 0 DEADHO Cc1cc([C@@H](C)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c(C)o1 ZINC000925854747 635955038 /nfs/dbraw/zinc/95/50/38/635955038.db2.gz SJXKIBXYOBPSGR-OCCSQVGLSA-N 1 3 306.406 2.232 20 0 DEADHO CC(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@@]2(C)C1 ZINC000982296672 635955101 /nfs/dbraw/zinc/95/51/01/635955101.db2.gz XBIQXNQYKGVEMZ-QRQLOZEOSA-N 1 3 321.509 2.153 20 0 DEADHO CC(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@@]2(C)C1 ZINC000982296672 635955104 /nfs/dbraw/zinc/95/51/04/635955104.db2.gz XBIQXNQYKGVEMZ-QRQLOZEOSA-N 1 3 321.509 2.153 20 0 DEADHO COC(=O)[C@](C)(CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000893942958 636070955 /nfs/dbraw/zinc/07/09/55/636070955.db2.gz ODBDYLZYDITFFB-RGPMPMONSA-N 1 3 316.445 2.332 20 0 DEADHO COC(=O)[C@](C)(CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000893942958 636070957 /nfs/dbraw/zinc/07/09/57/636070957.db2.gz ODBDYLZYDITFFB-RGPMPMONSA-N 1 3 316.445 2.332 20 0 DEADHO COC(=O)[C@](C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1 ZINC000893942958 636070962 /nfs/dbraw/zinc/07/09/62/636070962.db2.gz ODBDYLZYDITFFB-RGPMPMONSA-N 1 3 316.445 2.332 20 0 DEADHO COC(=O)[C@H]1[C@@H](CN2CCC(C[N@H+](C)C(C)C)CC2)C1(F)F ZINC000893966760 636077879 /nfs/dbraw/zinc/07/78/79/636077879.db2.gz DWJAIWFQTFIFQD-ZIAGYGMSSA-N 1 3 318.408 2.093 20 0 DEADHO COC(=O)[C@H]1[C@@H](CN2CCC(C[N@@H+](C)C(C)C)CC2)C1(F)F ZINC000893966760 636077880 /nfs/dbraw/zinc/07/78/80/636077880.db2.gz DWJAIWFQTFIFQD-ZIAGYGMSSA-N 1 3 318.408 2.093 20 0 DEADHO COC(OC)[C@@H](C)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000922310843 636078118 /nfs/dbraw/zinc/07/81/18/636078118.db2.gz JCFIMSGMOMTEFE-OAHLLOKOSA-N 1 3 322.449 2.258 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC001028334253 636134958 /nfs/dbraw/zinc/13/49/58/636134958.db2.gz ZSDJYYMZDNDCKZ-MRXNPFEDSA-N 1 3 303.450 2.352 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC001028334253 636134960 /nfs/dbraw/zinc/13/49/60/636134960.db2.gz ZSDJYYMZDNDCKZ-MRXNPFEDSA-N 1 3 303.450 2.352 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cncs3)C2)[C@H]1C(C)C ZINC000922392336 636154846 /nfs/dbraw/zinc/15/48/46/636154846.db2.gz CYKULGMDCKEURA-KLHDSHLOSA-N 1 3 309.479 2.103 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cncs3)C2)[C@H]1C(C)C ZINC000922392336 636154848 /nfs/dbraw/zinc/15/48/48/636154848.db2.gz CYKULGMDCKEURA-KLHDSHLOSA-N 1 3 309.479 2.103 20 0 DEADHO CC(C)=CC[NH+]1CCC(NC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001004201941 636220684 /nfs/dbraw/zinc/22/06/84/636220684.db2.gz BLMRUOXMBIFDBL-HZPDHXFCSA-N 1 3 307.482 2.406 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001028580529 636376415 /nfs/dbraw/zinc/37/64/15/636376415.db2.gz XWFGPQNFRSWKON-ZWKOTPCHSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001028580529 636376422 /nfs/dbraw/zinc/37/64/22/636376422.db2.gz XWFGPQNFRSWKON-ZWKOTPCHSA-N 1 3 321.509 2.489 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001004371563 636398811 /nfs/dbraw/zinc/39/88/11/636398811.db2.gz PHYJYVZXKSTYEF-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001004371563 636398814 /nfs/dbraw/zinc/39/88/14/636398814.db2.gz PHYJYVZXKSTYEF-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO CC1([NH+]2CCC2)CCC(NCc2cc3c(cn2)OCCO3)CC1 ZINC000922847307 636439309 /nfs/dbraw/zinc/43/93/09/636439309.db2.gz ZNOJJJUZDSKQKZ-UHFFFAOYSA-N 1 3 317.433 2.349 20 0 DEADHO CCC(CC)(C[NH3+])NC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000841848376 636447593 /nfs/dbraw/zinc/44/75/93/636447593.db2.gz HWWKALFKOPLGML-LBPRGKRZSA-N 1 3 312.845 2.067 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001004540575 636482051 /nfs/dbraw/zinc/48/20/51/636482051.db2.gz SWHZADXFLBAGIF-IAGOWNOFSA-N 1 3 309.498 2.296 20 0 DEADHO CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001004540575 636482053 /nfs/dbraw/zinc/48/20/53/636482053.db2.gz SWHZADXFLBAGIF-IAGOWNOFSA-N 1 3 309.498 2.296 20 0 DEADHO CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001004543646 636483773 /nfs/dbraw/zinc/48/37/73/636483773.db2.gz QIGNJDOWANFJEB-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001004543646 636483774 /nfs/dbraw/zinc/48/37/74/636483774.db2.gz QIGNJDOWANFJEB-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H]2C[N@H+](C(C)C)C[C@H]2CC1)N(C)C ZINC000946633276 636500008 /nfs/dbraw/zinc/50/00/08/636500008.db2.gz PMDLFBYJFLBBHH-BBWFWOEESA-N 1 3 309.498 2.151 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H]2C[N@@H+](C(C)C)C[C@H]2CC1)N(C)C ZINC000946633276 636500011 /nfs/dbraw/zinc/50/00/11/636500011.db2.gz PMDLFBYJFLBBHH-BBWFWOEESA-N 1 3 309.498 2.151 20 0 DEADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000261826664 636563883 /nfs/dbraw/zinc/56/38/83/636563883.db2.gz NXFASFQBJJNWFX-HOCLYGCPSA-N 1 3 301.434 2.092 20 0 DEADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1cn2c(n1)CCCC2 ZINC000925021935 636882737 /nfs/dbraw/zinc/88/27/37/636882737.db2.gz CHTOAJCAAIQMCQ-CVEARBPZSA-N 1 3 320.481 2.107 20 0 DEADHO C[C@@H](NCCCC[N@H+]1CCC[C@H]1CO)c1cn2c(n1)CCCC2 ZINC000925021935 636882740 /nfs/dbraw/zinc/88/27/40/636882740.db2.gz CHTOAJCAAIQMCQ-CVEARBPZSA-N 1 3 320.481 2.107 20 0 DEADHO C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc([O-])cc(F)c1 ZINC000925024152 636894157 /nfs/dbraw/zinc/89/41/57/636894157.db2.gz RHDOKEJDPQTFRT-CZUORRHYSA-N 1 3 310.413 2.419 20 0 DEADHO C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc([O-])cc(F)c1 ZINC000925024152 636894163 /nfs/dbraw/zinc/89/41/63/636894163.db2.gz RHDOKEJDPQTFRT-CZUORRHYSA-N 1 3 310.413 2.419 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)CN2CCC[C@@H]2C)CC1 ZINC001005992708 637049060 /nfs/dbraw/zinc/04/90/60/637049060.db2.gz VGAOKOSBHKIZRZ-CVEARBPZSA-N 1 3 309.498 2.440 20 0 DEADHO Cc1ccc([C@H]2CSCCN2C[C@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923316362 637107153 /nfs/dbraw/zinc/10/71/53/637107153.db2.gz PCEJLPVYULCJIR-IAGOWNOFSA-N 1 3 318.486 2.463 20 0 DEADHO O[C@H](CCc1ccccc1)CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000923329749 637112521 /nfs/dbraw/zinc/11/25/21/637112521.db2.gz YGLNKXFPQMIOIP-GUDVDZBRSA-N 1 3 302.462 2.444 20 0 DEADHO NC1(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CCC1 ZINC000923333751 637120314 /nfs/dbraw/zinc/12/03/14/637120314.db2.gz SHJBHRSSFLMQIM-LLVKDONJSA-N 1 3 319.232 2.204 20 0 DEADHO O[C@@H](CN1CCC([C@H]2CCC[NH2+]2)CC1)c1ccc(F)cc1F ZINC000923364077 637136919 /nfs/dbraw/zinc/13/69/19/637136919.db2.gz GWNYRKNMIWUAQK-SJORKVTESA-N 1 3 310.388 2.462 20 0 DEADHO Cc1cccc(OC[C@H](O)CN2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000923381082 637148372 /nfs/dbraw/zinc/14/83/72/637148372.db2.gz BHCSVAGEQLXQJQ-LTIDMASMSA-N 1 3 306.450 2.040 20 0 DEADHO Cc1cccc(C)c1OC[C@@H](O)CN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000923387285 637154942 /nfs/dbraw/zinc/15/49/42/637154942.db2.gz IGTPWMWLAYGOBE-LNLFQRSKSA-N 1 3 318.461 2.104 20 0 DEADHO [NH3+]C[C@]12CCC[C@H]1CN(C[C@@H](O)COc1ccccc1Cl)C2 ZINC000923387973 637155380 /nfs/dbraw/zinc/15/53/80/637155380.db2.gz PTEDSYBCAWJNMS-VBQJREDUSA-N 1 3 324.852 2.141 20 0 DEADHO [NH3+]CC[C@H]1CCN([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000923482295 637203230 /nfs/dbraw/zinc/20/32/30/637203230.db2.gz PVDFAHCWIWQDCP-SWLSCSKDSA-N 1 3 307.825 2.116 20 0 DEADHO CSc1ccc(NC(=O)[C@@H](C)N2CC[C@H](CC[NH3+])C2)cc1 ZINC000923484884 637205744 /nfs/dbraw/zinc/20/57/44/637205744.db2.gz CGLJJNATKSJJDR-OLZOCXBDSA-N 1 3 307.463 2.406 20 0 DEADHO C[C@@H](C(=O)NCc1ccccc1Cl)N1CC[C@H](CC[NH3+])C1 ZINC000923488703 637208772 /nfs/dbraw/zinc/20/87/72/637208772.db2.gz UCUNIZFRQQOHCA-STQMWFEESA-N 1 3 309.841 2.015 20 0 DEADHO C[C@H]1CN(CC(=O)N(Cc2ccccc2)C2CC2)CC[C@H]1C[NH3+] ZINC000923500408 637217787 /nfs/dbraw/zinc/21/77/87/637217787.db2.gz PZRRFSQIVJMCFB-RDJZCZTQSA-N 1 3 315.461 2.094 20 0 DEADHO C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923501588 637218297 /nfs/dbraw/zinc/21/82/97/637218297.db2.gz TZFWBTVXPWFWQX-IIAWOOMASA-N 1 3 321.440 2.262 20 0 DEADHO C[C@@H]([NH2+]CC1CCC1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001029173690 637292597 /nfs/dbraw/zinc/29/25/97/637292597.db2.gz QMGYLGJCFMNTGE-OAHLLOKOSA-N 1 3 307.482 2.099 20 0 DEADHO c1ccc([C@@H]2C[C@H](NC[C@@H]3COCO3)CC[N@@H+]2C2CC2)cc1 ZINC000894889958 637297026 /nfs/dbraw/zinc/29/70/26/637297026.db2.gz QKSPCEVDPKKWAN-NXHRZFHOSA-N 1 3 302.418 2.317 20 0 DEADHO c1ccc([C@@H]2C[C@H](NC[C@@H]3COCO3)CC[N@H+]2C2CC2)cc1 ZINC000894889958 637297030 /nfs/dbraw/zinc/29/70/30/637297030.db2.gz QKSPCEVDPKKWAN-NXHRZFHOSA-N 1 3 302.418 2.317 20 0 DEADHO O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001029356486 637648329 /nfs/dbraw/zinc/64/83/29/637648329.db2.gz ODSLSFRIQFNJOL-ZJPYXAASSA-N 1 3 317.477 2.089 20 0 DEADHO O=C([C@H]1CC[C@H]2CCCC[N@H+]21)N1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001029356486 637648339 /nfs/dbraw/zinc/64/83/39/637648339.db2.gz ODSLSFRIQFNJOL-ZJPYXAASSA-N 1 3 317.477 2.089 20 0 DEADHO COc1ccc(OC)c([C@H](O)C[N@H+](C)C[C@@H]2CCCN(C)C2)c1 ZINC000741252597 637957265 /nfs/dbraw/zinc/95/72/65/637957265.db2.gz RHHAXWDNKMXHKO-RHSMWYFYSA-N 1 3 322.449 2.011 20 0 DEADHO COc1ccc(OC)c([C@H](O)C[N@@H+](C)C[C@@H]2CCCN(C)C2)c1 ZINC000741252597 637957272 /nfs/dbraw/zinc/95/72/72/637957272.db2.gz RHHAXWDNKMXHKO-RHSMWYFYSA-N 1 3 322.449 2.011 20 0 DEADHO CN(C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)[C@H]1CCCN(C)C1 ZINC000895963808 638286500 /nfs/dbraw/zinc/28/65/00/638286500.db2.gz JAJHNGPVHFXQNG-IRXDYDNUSA-N 1 3 322.497 2.129 20 0 DEADHO CN(C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)[C@H]1CCCN(C)C1 ZINC000895963808 638286503 /nfs/dbraw/zinc/28/65/03/638286503.db2.gz JAJHNGPVHFXQNG-IRXDYDNUSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CC3CCCCC3)C2)C1 ZINC000984804950 638693995 /nfs/dbraw/zinc/69/39/95/638693995.db2.gz QLRJQYBSVRTGNR-SZMVWBNQSA-N 1 3 321.509 2.393 20 0 DEADHO CCc1ccc2nccc(N3CCN(C)CC[N@H+](C)CC3)c2c1 ZINC000897094315 639164919 /nfs/dbraw/zinc/16/49/19/639164919.db2.gz LIMCEPFGJPBGAJ-UHFFFAOYSA-N 1 3 312.461 2.481 20 0 DEADHO CCc1ccc2nccc(N3CCN(C)CC[N@@H+](C)CC3)c2c1 ZINC000897094315 639164921 /nfs/dbraw/zinc/16/49/21/639164921.db2.gz LIMCEPFGJPBGAJ-UHFFFAOYSA-N 1 3 312.461 2.481 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(Cl)nc2)CC1 ZINC000179105076 639463609 /nfs/dbraw/zinc/46/36/09/639463609.db2.gz NMAXQFXOCMKXIK-KBPBESRZSA-N 1 3 310.873 2.412 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CCCC2)C1)N(C)C ZINC001029843736 639541296 /nfs/dbraw/zinc/54/12/96/639541296.db2.gz ONBMYUCREILBCC-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCC2)C1)N(C)C ZINC001029843736 639541300 /nfs/dbraw/zinc/54/13/00/639541300.db2.gz ONBMYUCREILBCC-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H]1[C@H]([NH2+]CCC2CC2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987255259 640144095 /nfs/dbraw/zinc/14/40/95/640144095.db2.gz NWJGCQRGYMFFLW-DOTOQJQBSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1[C@H]([NH2+]CC2=CCCCC2)CCN1C(=O)CN1CCCC1 ZINC000987522150 640213421 /nfs/dbraw/zinc/21/34/21/640213421.db2.gz FVPHYYBHSQSGDH-DOTOQJQBSA-N 1 3 305.466 2.162 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CC2CC2)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC000987565651 640223576 /nfs/dbraw/zinc/22/35/76/640223576.db2.gz FMMGBAGZKZQOSN-KSSFIOAISA-N 1 3 315.461 2.351 20 0 DEADHO CC(C)CC[NH+]1CCC(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC000763012494 640491149 /nfs/dbraw/zinc/49/11/49/640491149.db2.gz LUGMOCSMCKEATO-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H]1C[C@H]([NH2+]Cc2ccccc2)CN1C(=O)CN(C)C1CCC1 ZINC000988966466 640698919 /nfs/dbraw/zinc/69/89/19/640698919.db2.gz LYDPVKYPZMDNHO-RDJZCZTQSA-N 1 3 315.461 2.250 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC[N@H+](CC3CC3)CC2)c1 ZINC000989730429 641210444 /nfs/dbraw/zinc/21/04/44/641210444.db2.gz WRYZMHOKXXUXMR-UHFFFAOYSA-N 1 3 315.461 2.306 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC[N@@H+](CC3CC3)CC2)c1 ZINC000989730429 641210446 /nfs/dbraw/zinc/21/04/46/641210446.db2.gz WRYZMHOKXXUXMR-UHFFFAOYSA-N 1 3 315.461 2.306 20 0 DEADHO CCc1noc(C)c1[C@@H](C)NCCN1CCC([NH+](C)C)CC1 ZINC000769874320 641304302 /nfs/dbraw/zinc/30/43/02/641304302.db2.gz KOYHDONDAGWZOU-CYBMUJFWSA-N 1 3 308.470 2.222 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000900333903 642323950 /nfs/dbraw/zinc/32/39/50/642323950.db2.gz FXLDVUVSFFOACV-DOTOQJQBSA-N 1 3 313.445 2.034 20 0 DEADHO COc1ccc(NC(=O)[C@@H]2CCCN2CC[C@H]2CC[NH2+]C2)cc1 ZINC000842472387 650747771 /nfs/dbraw/zinc/74/77/71/650747771.db2.gz XONMNELXBUMRTI-PBHICJAKSA-N 1 3 317.433 2.098 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000900560309 642414487 /nfs/dbraw/zinc/41/44/87/642414487.db2.gz HLUBOLKZABMDFR-OAHLLOKOSA-N 1 3 304.438 2.067 20 0 DEADHO CN(C)Cc1ccc(-c2noc(CO[C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000842570908 650767307 /nfs/dbraw/zinc/76/73/07/650767307.db2.gz FVQOOZUVEXASLP-OAHLLOKOSA-N 1 3 316.405 2.067 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781403484 642747547 /nfs/dbraw/zinc/74/75/47/642747547.db2.gz YLHBMUGUOPNVRV-HUUCEWRRSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000781403484 642747551 /nfs/dbraw/zinc/74/75/51/642747551.db2.gz YLHBMUGUOPNVRV-HUUCEWRRSA-N 1 3 307.482 2.240 20 0 DEADHO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000903107096 643251382 /nfs/dbraw/zinc/25/13/82/643251382.db2.gz LNUIGEJLLHUSPU-RTBURBONSA-N 1 3 318.461 2.300 20 0 DEADHO CC(C)O[C@@]1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCOC1 ZINC000903224669 643287446 /nfs/dbraw/zinc/28/74/46/643287446.db2.gz ZVAFBRJKDRXFAB-NXCDMZCRSA-N 1 3 308.466 2.318 20 0 DEADHO CC(C)O[C@@]1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCOC1 ZINC000903224669 643287449 /nfs/dbraw/zinc/28/74/49/643287449.db2.gz ZVAFBRJKDRXFAB-NXCDMZCRSA-N 1 3 308.466 2.318 20 0 DEADHO CN1C[C@H](CC[NH2+]C2CCN(C3CCCCC3)CC2)CC1=O ZINC000903217950 643292721 /nfs/dbraw/zinc/29/27/21/643292721.db2.gz GOEPVYHOZHGEHB-OAHLLOKOSA-N 1 3 307.482 2.242 20 0 DEADHO FC(F)(F)[C@@H]1CC[C@H](CN2CCC([C@@H]3CC[NH2+]C3)CC2)O1 ZINC000903452303 643356805 /nfs/dbraw/zinc/35/68/05/643356805.db2.gz KZAORPRAAOVLSW-MCIONIFRSA-N 1 3 306.372 2.418 20 0 DEADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@@H](C)c1ccc(F)c(F)c1)C2 ZINC000903493201 643369339 /nfs/dbraw/zinc/36/93/39/643369339.db2.gz PACGUVNUXHHSBV-AKENFEQQSA-N 1 3 324.371 2.238 20 0 DEADHO Cc1cc([C@H]2CCCN2C[C@H]2CC3(CO2)CC[NH2+]CC3)on1 ZINC000903721873 643438972 /nfs/dbraw/zinc/43/89/72/643438972.db2.gz FRVPVGIHMZQERE-HUUCEWRRSA-N 1 3 305.422 2.279 20 0 DEADHO Cc1nc(C(C)(C)NC[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)sc1C ZINC000903742172 643450627 /nfs/dbraw/zinc/45/06/27/643450627.db2.gz VMCSTQVEJBKOMT-XJKSGUPXSA-N 1 3 309.479 2.353 20 0 DEADHO CC(C)N1CCC[C@H](N2CCCC[C@H]2C2(C[NH3+])CCC2)C1=O ZINC000903816562 643464887 /nfs/dbraw/zinc/46/48/87/643464887.db2.gz ZFTGZSRYJMQKSC-HOTGVXAUSA-N 1 3 307.482 2.369 20 0 DEADHO Cc1cc(NC(=O)CC[N@@H+]2CCCC[C@H]2C2(CN)CCC2)no1 ZINC000903813812 643470559 /nfs/dbraw/zinc/47/05/59/643470559.db2.gz IQWQPKIVGLLWLJ-AWEZNQCLSA-N 1 3 320.437 2.295 20 0 DEADHO Cc1cc(NC(=O)CC[N@H+]2CCCC[C@H]2C2(CN)CCC2)no1 ZINC000903813812 643470563 /nfs/dbraw/zinc/47/05/63/643470563.db2.gz IQWQPKIVGLLWLJ-AWEZNQCLSA-N 1 3 320.437 2.295 20 0 DEADHO Cc1cc(NC(=O)CCN2CCCC[C@H]2C2(C[NH3+])CCC2)no1 ZINC000903813812 643470565 /nfs/dbraw/zinc/47/05/65/643470565.db2.gz IQWQPKIVGLLWLJ-AWEZNQCLSA-N 1 3 320.437 2.295 20 0 DEADHO C(CN1CC[NH2+]CCC12CCOCC2)C1SCCS1 ZINC000903818924 643471879 /nfs/dbraw/zinc/47/18/79/643471879.db2.gz YKFVFNFWQWKMHE-UHFFFAOYSA-N 1 3 302.509 2.027 20 0 DEADHO NC[C@]12CC[C@H]1CC[N@@H+]2CCCc1nc(-c2ccccc2)no1 ZINC000903855488 643485339 /nfs/dbraw/zinc/48/53/39/643485339.db2.gz OHZANNYVVZOKTN-MAUKXSAKSA-N 1 3 312.417 2.482 20 0 DEADHO NC[C@]12CC[C@H]1CC[N@H+]2CCCc1nc(-c2ccccc2)no1 ZINC000903855488 643485345 /nfs/dbraw/zinc/48/53/45/643485345.db2.gz OHZANNYVVZOKTN-MAUKXSAKSA-N 1 3 312.417 2.482 20 0 DEADHO CCSCC[C@@H](C)[N@H+](C)C[C@H](CN)Cc1cnn(C)c1C ZINC000903899501 643501677 /nfs/dbraw/zinc/50/16/77/643501677.db2.gz SMLJUBLDWXAJPB-HIFRSBDPSA-N 1 3 312.527 2.309 20 0 DEADHO CCSCC[C@@H](C)[N@@H+](C)C[C@H](CN)Cc1cnn(C)c1C ZINC000903899501 643501692 /nfs/dbraw/zinc/50/16/92/643501692.db2.gz SMLJUBLDWXAJPB-HIFRSBDPSA-N 1 3 312.527 2.309 20 0 DEADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN(CC1CC1)CC1CCC1 ZINC000903915371 643506336 /nfs/dbraw/zinc/50/63/36/643506336.db2.gz BLBRTDFHTFJCMW-MRXNPFEDSA-N 1 3 303.454 2.215 20 0 DEADHO CCOc1ccc(C[NH2+]C[C@H]2CNCCC2(F)F)cc1OC ZINC000903953502 643528024 /nfs/dbraw/zinc/52/80/24/643528024.db2.gz GULUSOAMARVHGD-CYBMUJFWSA-N 1 3 314.376 2.428 20 0 DEADHO CN(C[C@H]1C[C@@H]([NH3+])C1)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000904316485 643635112 /nfs/dbraw/zinc/63/51/12/643635112.db2.gz NEDJFGFZIMTLAZ-VUCTXSBTSA-N 1 3 302.397 2.318 20 0 DEADHO COc1ccccc1-n1nccc1CN1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904411987 643662742 /nfs/dbraw/zinc/66/27/42/643662742.db2.gz YPHGMCVXKUXEMP-GJZGRUSLSA-N 1 3 314.433 2.298 20 0 DEADHO N[C@@H](CC1CCCCC1)C(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000843458814 650979541 /nfs/dbraw/zinc/97/95/41/650979541.db2.gz IUVJVFZREPBKOH-INIZCTEOSA-N 1 3 319.453 2.044 20 0 DEADHO C[C@H]([NH3+])c1ccc(NC(=O)c2ccc3c(c2)OCCNC3)cc1 ZINC000911847681 645854432 /nfs/dbraw/zinc/85/44/32/645854432.db2.gz RLHDTKJSEPWILK-LBPRGKRZSA-N 1 3 311.385 2.441 20 0 DEADHO C[C@@H](CNC(=O)NC[C@@H]1CCCCN1C)[N@@H+]1CCCC[C@H]1C ZINC000911974218 645897734 /nfs/dbraw/zinc/89/77/34/645897734.db2.gz SRFIUXMLAZRTQM-PMPSAXMXSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H](CNC(=O)NC[C@@H]1CCCCN1C)[N@H+]1CCCC[C@H]1C ZINC000911974218 645897735 /nfs/dbraw/zinc/89/77/35/645897735.db2.gz SRFIUXMLAZRTQM-PMPSAXMXSA-N 1 3 310.486 2.033 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC000912285963 646009176 /nfs/dbraw/zinc/00/91/76/646009176.db2.gz ZCLVOQFKUVZVFC-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC000912285963 646009181 /nfs/dbraw/zinc/00/91/81/646009181.db2.gz ZCLVOQFKUVZVFC-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@@H]1CN(C(=O)c2ccc(NC3=NCCC3)cc2)CC[NH2+]1 ZINC000912766381 646161387 /nfs/dbraw/zinc/16/13/87/646161387.db2.gz VTDLHJRNLQDOOQ-INIZCTEOSA-N 1 3 314.433 2.361 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)N(C)C ZINC000913428722 646351110 /nfs/dbraw/zinc/35/11/10/646351110.db2.gz DKYOSWLUIPWZLX-SZMVWBNQSA-N 1 3 317.477 2.211 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)N(C)C ZINC000913428722 646351120 /nfs/dbraw/zinc/35/11/20/646351120.db2.gz DKYOSWLUIPWZLX-SZMVWBNQSA-N 1 3 317.477 2.211 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000813522515 646782347 /nfs/dbraw/zinc/78/23/47/646782347.db2.gz YIEMBLQHTCWSHV-GDBMZVCRSA-N 1 3 303.450 2.278 20 0 DEADHO CC(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]21 ZINC000992715171 647194048 /nfs/dbraw/zinc/19/40/48/647194048.db2.gz RVSVYCXWGUGJKR-KBAYOESNSA-N 1 3 321.509 2.343 20 0 DEADHO CN(CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CC3)[C@@H]2C1)C1CCC1 ZINC000992716792 647195090 /nfs/dbraw/zinc/19/50/90/647195090.db2.gz UHFYSYXWKHNLCE-CGTJXYLNSA-N 1 3 319.493 2.097 20 0 DEADHO COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000817893188 647373595 /nfs/dbraw/zinc/37/35/95/647373595.db2.gz QKQBICUBJNLMRL-YVEFUNNKSA-N 1 3 315.417 2.242 20 0 DEADHO Cc1ccc(N2CCC[C@H](N[C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])C2)cc1 ZINC000817897670 647375136 /nfs/dbraw/zinc/37/51/36/647375136.db2.gz VCEUHNBCTSLUNV-RNIPGJKVSA-N 1 3 317.477 2.306 20 0 DEADHO COc1cccc([C@H](O)CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000817905623 647378013 /nfs/dbraw/zinc/37/80/13/647378013.db2.gz QLMRBNXQLYEJDI-BSDSXHPESA-N 1 3 304.434 2.239 20 0 DEADHO C[C@H](CC(=O)Nc1cccnc1Cl)N[C@H]1CC[NH2+]C[C@H]1C ZINC000817972282 647397447 /nfs/dbraw/zinc/39/74/47/647397447.db2.gz VVVQXILSNHPYQF-UTUOFQBUSA-N 1 3 310.829 2.040 20 0 DEADHO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H]1CCNC[C@H]1C ZINC000817972282 647397452 /nfs/dbraw/zinc/39/74/52/647397452.db2.gz VVVQXILSNHPYQF-UTUOFQBUSA-N 1 3 310.829 2.040 20 0 DEADHO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H]1CCCCNC1 ZINC000817984389 647400860 /nfs/dbraw/zinc/40/08/60/647400860.db2.gz RXVSFHPCJNPNOM-NWDGAFQWSA-N 1 3 310.829 2.184 20 0 DEADHO Cc1cc(=O)oc2cc(OCC[NH2+][C@@H]3CCCC[C@H]3N)ccc12 ZINC000818340725 647456249 /nfs/dbraw/zinc/45/62/49/647456249.db2.gz RPIAMEYNBHOAJR-HZPDHXFCSA-N 1 3 316.401 2.340 20 0 DEADHO COCC[N@H+](C)CCCNC[C@H](O)c1ccc(F)cc1Cl ZINC000818954718 647548896 /nfs/dbraw/zinc/54/88/96/647548896.db2.gz UZXRCUFHLYDCFD-HNNXBMFYSA-N 1 3 318.820 2.070 20 0 DEADHO COCC[N@@H+](C)CCCNC[C@H](O)c1ccc(F)cc1Cl ZINC000818954718 647548898 /nfs/dbraw/zinc/54/88/98/647548898.db2.gz UZXRCUFHLYDCFD-HNNXBMFYSA-N 1 3 318.820 2.070 20 0 DEADHO C[C@@H]1[C@H](NC(=O)C23CCCN2CCC3)CCC[N@@H+]1CC1CCC1 ZINC000993526033 647690553 /nfs/dbraw/zinc/69/05/53/647690553.db2.gz GAIMEXDTUOSJGD-NVXWUHKLSA-N 1 3 319.493 2.384 20 0 DEADHO C[C@@H]1[C@H](NC(=O)C23CCCN2CCC3)CCC[N@H+]1CC1CCC1 ZINC000993526033 647690558 /nfs/dbraw/zinc/69/05/58/647690558.db2.gz GAIMEXDTUOSJGD-NVXWUHKLSA-N 1 3 319.493 2.384 20 0 DEADHO C[C@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCCN1CCC(F)(F)F ZINC000994415096 647945439 /nfs/dbraw/zinc/94/54/39/647945439.db2.gz ZYFJWPAQEVOINU-QWHCGFSZSA-N 1 3 321.387 2.004 20 0 DEADHO C[C@H]1[C@H](NC(=O)CN2CCCC2)CCC[N@@H+]1CCC(F)(F)F ZINC000994415096 647945440 /nfs/dbraw/zinc/94/54/40/647945440.db2.gz ZYFJWPAQEVOINU-QWHCGFSZSA-N 1 3 321.387 2.004 20 0 DEADHO C[C@H]1[C@H](NC(=O)CN2CCCC2)CCC[N@H+]1CCC(F)(F)F ZINC000994415096 647945442 /nfs/dbraw/zinc/94/54/42/647945442.db2.gz ZYFJWPAQEVOINU-QWHCGFSZSA-N 1 3 321.387 2.004 20 0 DEADHO C[NH+](C)CCOc1ccc(-c2noc([C@@H]3C[C@H]4C[C@H]4N3)n2)cc1 ZINC000822722143 648272158 /nfs/dbraw/zinc/27/21/58/648272158.db2.gz BPZGLNGGOXFCLD-YUELXQCFSA-N 1 3 314.389 2.100 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CCN1C ZINC000921222856 648281355 /nfs/dbraw/zinc/28/13/55/648281355.db2.gz WCRPBVJUKYOIMJ-PBHICJAKSA-N 1 3 322.497 2.175 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC000826833032 648933640 /nfs/dbraw/zinc/93/36/40/648933640.db2.gz WLIZXTDWAXQRST-IKGGRYGDSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000940917996 648970716 /nfs/dbraw/zinc/97/07/16/648970716.db2.gz HXNHONXLZOQDDE-DLBZAZTESA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000940917996 648970717 /nfs/dbraw/zinc/97/07/17/648970717.db2.gz HXNHONXLZOQDDE-DLBZAZTESA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCCN(C[C@H]2CCCO2)CC1 ZINC000827406830 649029754 /nfs/dbraw/zinc/02/97/54/649029754.db2.gz QGONHPDBUCAJNB-RTBURBONSA-N 1 3 323.525 2.436 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1CN1CCCN(C[C@H]2CCCO2)CC1 ZINC000827406830 649029759 /nfs/dbraw/zinc/02/97/59/649029759.db2.gz QGONHPDBUCAJNB-RTBURBONSA-N 1 3 323.525 2.436 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CCCCC[NH3+])C1 ZINC000827548594 649049002 /nfs/dbraw/zinc/04/90/02/649049002.db2.gz GUUMHVIDJCVMRD-DOTOQJQBSA-N 1 3 303.450 2.457 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000827548763 649049070 /nfs/dbraw/zinc/04/90/70/649049070.db2.gz KNCVDCWJCIPGAG-KBRIMQKVSA-N 1 3 301.434 2.066 20 0 DEADHO Cc1cccc(CN2CC[C@H](NC(=O)CC[NH2+]C(C)(C)C)C2)c1 ZINC000828215874 649150643 /nfs/dbraw/zinc/15/06/43/649150643.db2.gz KCPMZQPCCYUUKS-KRWDZBQOSA-N 1 3 317.477 2.464 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc(Cl)n1 ZINC000828506399 649188356 /nfs/dbraw/zinc/18/83/56/649188356.db2.gz CCZHQHBBHDSTST-RISCZKNCSA-N 1 3 324.856 2.032 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc(Cl)n1 ZINC000828506399 649188360 /nfs/dbraw/zinc/18/83/60/649188360.db2.gz CCZHQHBBHDSTST-RISCZKNCSA-N 1 3 324.856 2.032 20 0 DEADHO C[S@](=O)CC[N@@H+]1CCC2(C1)CCN(Cc1ccccc1)CC2 ZINC000830012481 649383706 /nfs/dbraw/zinc/38/37/06/649383706.db2.gz AGOLDPLKDOZIBB-QFIPXVFZSA-N 1 3 320.502 2.353 20 0 DEADHO C[S@](=O)CC[N@H+]1CCC2(C1)CCN(Cc1ccccc1)CC2 ZINC000830012481 649383708 /nfs/dbraw/zinc/38/37/08/649383708.db2.gz AGOLDPLKDOZIBB-QFIPXVFZSA-N 1 3 320.502 2.353 20 0 DEADHO C[C@@H](NC1CC1)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000831480984 649600646 /nfs/dbraw/zinc/60/06/46/649600646.db2.gz LGYSMYOKZDRJSB-CYBMUJFWSA-N 1 3 305.422 2.096 20 0 DEADHO CC[NH+](CC)CC1CCN(C[C@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844279236 651103453 /nfs/dbraw/zinc/10/34/53/651103453.db2.gz RSBXGBDPWADCIY-INIZCTEOSA-N 1 3 309.454 2.023 20 0 DEADHO COc1ccc2c(CN3CCC(CC[NH3+])CC3)cc(=O)oc2c1 ZINC000846227413 651316594 /nfs/dbraw/zinc/31/65/94/651316594.db2.gz QWOWWKFSTXODBW-UHFFFAOYSA-N 1 3 316.401 2.362 20 0 DEADHO COC(=O)Cc1ccccc1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000848572921 651473055 /nfs/dbraw/zinc/47/30/55/651473055.db2.gz NRVVPFXVSVSNQZ-KSZLIROESA-N 1 3 316.445 2.365 20 0 DEADHO COC(=O)Cc1ccccc1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000848572921 651473057 /nfs/dbraw/zinc/47/30/57/651473057.db2.gz NRVVPFXVSVSNQZ-KSZLIROESA-N 1 3 316.445 2.365 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](SC)C(C)(C)C ZINC000849018100 651583962 /nfs/dbraw/zinc/58/39/62/651583962.db2.gz UZIYLYJTDNEGBJ-QWHCGFSZSA-N 1 3 300.516 2.362 20 0 DEADHO COc1ccc(CCNC(=[NH2+])NCCN2CCCC2(C)C)cc1 ZINC000849039008 651591858 /nfs/dbraw/zinc/59/18/58/651591858.db2.gz CNKUUHHSSFTSBU-UHFFFAOYSA-N 1 3 318.465 2.226 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(C)cc1 ZINC000849045273 651593704 /nfs/dbraw/zinc/59/37/04/651593704.db2.gz HGSYKLOTGBYCDG-YESZJQIVSA-N 1 3 300.450 2.449 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C)c1OC ZINC000849049392 651595528 /nfs/dbraw/zinc/59/55/28/651595528.db2.gz OICBHGIMOIRRHB-HNNXBMFYSA-N 1 3 304.438 2.102 20 0 DEADHO [NH2+]=C(NCc1cccnc1)NC1CCN(Cc2ccccc2)CC1 ZINC000849056347 651596632 /nfs/dbraw/zinc/59/66/32/651596632.db2.gz GBZDMDQZAYABPQ-UHFFFAOYSA-N 1 3 323.444 2.360 20 0 DEADHO COc1cncc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000850144746 651841906 /nfs/dbraw/zinc/84/19/06/651841906.db2.gz LMUFDJQVHMJXAQ-GJZGRUSLSA-N 1 3 307.438 2.069 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NOCC3CCC3)CC2)CC1 ZINC000856351455 651904007 /nfs/dbraw/zinc/90/40/07/651904007.db2.gz JRHRPLYLRCJRAT-UHFFFAOYSA-N 1 3 323.481 2.031 20 0 DEADHO CCCN1CC[C@@H](C[NH2+]C2CCC(NC(=O)OCC)CC2)C1 ZINC000850426481 651927033 /nfs/dbraw/zinc/92/70/33/651927033.db2.gz CNXFNVGGDZBRMO-FHERZECASA-N 1 3 311.470 2.365 20 0 DEADHO [NH3+]CCCCCCCN[C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000857087791 652048869 /nfs/dbraw/zinc/04/88/69/652048869.db2.gz VNGUKDZIMKQGRP-INIZCTEOSA-N 1 3 310.463 2.155 20 0 DEADHO C[C@H]([NH3+])CCNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000857112005 652053990 /nfs/dbraw/zinc/05/39/90/652053990.db2.gz BMWQZVQMPBURBR-JKSUJKDBSA-N 1 3 318.465 2.030 20 0 DEADHO COc1cccc([C@H](CNc2ccnc(CO)c2)[NH+](C)C)c1 ZINC000858316267 652302894 /nfs/dbraw/zinc/30/28/94/652302894.db2.gz QBDYOSXCFDMYCW-KRWDZBQOSA-N 1 3 301.390 2.297 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@H]2CCN2C(C)(C)C)C1 ZINC000852223165 652367015 /nfs/dbraw/zinc/36/70/15/652367015.db2.gz IBZFQOMGOCWFAZ-RRFJBIMHSA-N 1 3 310.486 2.031 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC1CCC1)C(C)C ZINC001392220332 1156895914 /nfs/dbraw/zinc/89/59/14/1156895914.db2.gz YCWRUBHRYBZXCQ-IAGOWNOFSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1cccc(C)c1)N(C)C ZINC001392681600 1157329331 /nfs/dbraw/zinc/32/93/31/1157329331.db2.gz DEYSJLXFXFTDRF-WBVHZDCISA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1cccc(C)c1)N(C)C ZINC001392681600 1157329341 /nfs/dbraw/zinc/32/93/41/1157329341.db2.gz DEYSJLXFXFTDRF-WBVHZDCISA-N 1 3 305.466 2.272 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]CCC(F)(F)F)CC1 ZINC001392895973 1157524297 /nfs/dbraw/zinc/52/42/97/1157524297.db2.gz GFMSJCTWDVFOIK-GFCCVEGCSA-N 1 3 321.387 2.050 20 0 DEADHO CC[C@H](C(=O)N[C@@]1(C)CC[N@H+](CCC2CC2)C1)N(CC)CC ZINC001393110280 1157691910 /nfs/dbraw/zinc/69/19/10/1157691910.db2.gz GJUUCBVQPPUQHD-AEFFLSMTSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)N[C@@]1(C)CC[N@@H+](CCC2CC2)C1)N(CC)CC ZINC001393110280 1157691920 /nfs/dbraw/zinc/69/19/20/1157691920.db2.gz GJUUCBVQPPUQHD-AEFFLSMTSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CC[NH2+]C(C)(C)C ZINC000389987744 685436805 /nfs/dbraw/zinc/43/68/05/685436805.db2.gz MXPUYTJAUBGNPE-RDJZCZTQSA-N 1 3 317.477 2.401 20 0 DEADHO CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCCCN1C ZINC001054045311 693820907 /nfs/dbraw/zinc/82/09/07/693820907.db2.gz OCJMVEPLRKAMOD-QZTJIDSGSA-N 1 3 315.461 2.034 20 0 DEADHO CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCCCN1C ZINC001054045311 693820910 /nfs/dbraw/zinc/82/09/10/693820910.db2.gz OCJMVEPLRKAMOD-QZTJIDSGSA-N 1 3 315.461 2.034 20 0 DEADHO CC[C@@H](N)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000130541071 684189725 /nfs/dbraw/zinc/18/97/25/684189725.db2.gz MBYVXFRSVSYDPD-QGZVFWFLSA-N 1 3 318.465 2.140 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)CCCCC[NH3+])CN1Cc1ccccc1 ZINC000155795638 684279886 /nfs/dbraw/zinc/27/98/86/684279886.db2.gz UYYZFQHCRTXEST-DOTOQJQBSA-N 1 3 303.450 2.285 20 0 DEADHO CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001054197455 693879124 /nfs/dbraw/zinc/87/91/24/693879124.db2.gz BWJNUYAQZUONET-FUHWJXTLSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001054197455 693879130 /nfs/dbraw/zinc/87/91/30/693879130.db2.gz BWJNUYAQZUONET-FUHWJXTLSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001054198001 693879866 /nfs/dbraw/zinc/87/98/66/693879866.db2.gz NCVVWHGLEUSRRO-MJGOQNOKSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001054198001 693879868 /nfs/dbraw/zinc/87/98/68/693879868.db2.gz NCVVWHGLEUSRRO-MJGOQNOKSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[N@H+](C)C[C@@H](O)CN1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859926756 685854771 /nfs/dbraw/zinc/85/47/71/685854771.db2.gz MZONCSYKTOZDSZ-ZSYWTGECSA-N 1 3 302.462 2.423 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H](O)CN1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859926756 685854778 /nfs/dbraw/zinc/85/47/78/685854778.db2.gz MZONCSYKTOZDSZ-ZSYWTGECSA-N 1 3 302.462 2.423 20 0 DEADHO COCc1cc([C@H](C)[NH2+]CC2(N)CCOCC2)ccc1OC ZINC000863542515 686518177 /nfs/dbraw/zinc/51/81/77/686518177.db2.gz WFBCYSRKVRITNQ-ZDUSSCGKSA-N 1 3 308.422 2.000 20 0 DEADHO C[C@@H](CNC(=[NH2+])Nc1ccc(CCO)cc1)N1CCC(C)CC1 ZINC000864456997 686727673 /nfs/dbraw/zinc/72/76/73/686727673.db2.gz OVLLCGUQFWKZEQ-HNNXBMFYSA-N 1 3 318.465 2.278 20 0 DEADHO CCO[C@H](CC[NH+](C)C)CNCc1cnc(Cl)c(F)c1 ZINC000865487715 687231423 /nfs/dbraw/zinc/23/14/23/687231423.db2.gz OPFSZXBVWSRWTL-GFCCVEGCSA-N 1 3 303.809 2.321 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001015973761 687486992 /nfs/dbraw/zinc/48/69/92/687486992.db2.gz RQZNOCDLQWBSCR-IAGOWNOFSA-N 1 3 307.482 2.242 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001015973761 687486996 /nfs/dbraw/zinc/48/69/96/687486996.db2.gz RQZNOCDLQWBSCR-IAGOWNOFSA-N 1 3 307.482 2.242 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H](c2ccccn2)C(C)C)CC1 ZINC000866231223 687502021 /nfs/dbraw/zinc/50/20/21/687502021.db2.gz STFKRQONRHTYIK-SFHVURJKSA-N 1 3 304.482 2.396 20 0 DEADHO C[C@@H](F)CC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001016333128 687595280 /nfs/dbraw/zinc/59/52/80/687595280.db2.gz TZTHTTTVDOPYJR-PBHICJAKSA-N 1 3 321.440 2.300 20 0 DEADHO C[C@@H](F)CC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001016333128 687595286 /nfs/dbraw/zinc/59/52/86/687595286.db2.gz TZTHTTTVDOPYJR-PBHICJAKSA-N 1 3 321.440 2.300 20 0 DEADHO Fc1ccc(N2CCN(CC[C@H]3CCC[NH2+]C3)CC2)c(F)c1 ZINC000866702688 687658824 /nfs/dbraw/zinc/65/88/24/687658824.db2.gz FKNYJAQDXVMDQY-CQSZACIVSA-N 1 3 309.404 2.477 20 0 DEADHO CC(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001016614485 687665008 /nfs/dbraw/zinc/66/50/08/687665008.db2.gz ORECRZDUUDPMGE-IRXDYDNUSA-N 1 3 321.509 2.486 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001016951719 687741338 /nfs/dbraw/zinc/74/13/38/687741338.db2.gz SOVQETFRRBJGIY-INIZCTEOSA-N 1 3 316.449 2.031 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001017128718 687797222 /nfs/dbraw/zinc/79/72/22/687797222.db2.gz URKQRTGLANIOPD-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001017128718 687797228 /nfs/dbraw/zinc/79/72/28/687797228.db2.gz URKQRTGLANIOPD-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)CC2CCC2)C1)N(C)C ZINC001017211035 687824951 /nfs/dbraw/zinc/82/49/51/687824951.db2.gz GTWUJRKVJADOTR-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC2CCC2)C1)N(C)C ZINC001017211035 687824958 /nfs/dbraw/zinc/82/49/58/687824958.db2.gz GTWUJRKVJADOTR-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001017550280 687909916 /nfs/dbraw/zinc/90/99/16/687909916.db2.gz WMROZAWKBURGDQ-TVFCKZIOSA-N 1 3 319.493 2.336 20 0 DEADHO CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001017550280 687909923 /nfs/dbraw/zinc/90/99/23/687909923.db2.gz WMROZAWKBURGDQ-TVFCKZIOSA-N 1 3 319.493 2.336 20 0 DEADHO CC[C@@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001017704534 687942506 /nfs/dbraw/zinc/94/25/06/687942506.db2.gz XTKLUQFVFWFRQI-ZACQAIPSSA-N 1 3 319.493 2.336 20 0 DEADHO CC(C)(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001018182263 688072406 /nfs/dbraw/zinc/07/24/06/688072406.db2.gz ZAYGROWRQNDAOX-IYBDPMFKSA-N 1 3 319.493 2.194 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC001019241648 688305292 /nfs/dbraw/zinc/30/52/92/688305292.db2.gz QVKHOBOYBMITPS-BPQIPLTHSA-N 1 3 315.461 2.341 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1)N(C)C ZINC001019394461 688345385 /nfs/dbraw/zinc/34/53/85/688345385.db2.gz HOBAVPCLUZHIBH-JQFCIGGWSA-N 1 3 321.440 2.417 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001019437218 688356213 /nfs/dbraw/zinc/35/62/13/688356213.db2.gz IENDRQDTHUXIEQ-CABCVRRESA-N 1 3 312.417 2.212 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CCC2)C1 ZINC001019468177 688362918 /nfs/dbraw/zinc/36/29/18/688362918.db2.gz JPNNYZKYGLGFQM-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC001029000802 688548791 /nfs/dbraw/zinc/54/87/91/688548791.db2.gz KCSVQVPMNHBFCJ-QGZVFWFLSA-N 1 3 315.461 2.210 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC001029000802 688548792 /nfs/dbraw/zinc/54/87/92/688548792.db2.gz KCSVQVPMNHBFCJ-QGZVFWFLSA-N 1 3 315.461 2.210 20 0 DEADHO CC1CCN(CC(=O)N2CCC3(CC2)CC[NH+](C)CC3)CC1 ZINC000870508123 688584799 /nfs/dbraw/zinc/58/47/99/688584799.db2.gz SGUMPOFJTAOTJC-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO O=C(CCC12CC(C1)C[NH2+]2)N1CCN(CC2CCCCC2)CC1 ZINC000870874431 688674259 /nfs/dbraw/zinc/67/42/59/688674259.db2.gz APRYLWPVWJUIDG-UHFFFAOYSA-N 1 3 319.493 2.243 20 0 DEADHO O=C(NC1C[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1)c1ccn2cncc2c1 ZINC001030618894 688726023 /nfs/dbraw/zinc/72/60/23/688726023.db2.gz XPMIQXDUNAJAAM-IJEWVQPXSA-N 1 3 324.428 2.185 20 0 DEADHO COc1ccccc1N1CC[C@@H](N(C)CCCCCC[NH3+])C1=O ZINC000872155727 688940020 /nfs/dbraw/zinc/94/00/20/688940020.db2.gz UTVCYEKSOAELOY-MRXNPFEDSA-N 1 3 319.449 2.251 20 0 DEADHO COc1ccccc1[C@H]1CSCCCN1CCOCC[NH3+] ZINC000872157273 688941563 /nfs/dbraw/zinc/94/15/63/688941563.db2.gz JMQUSBHVMSNZLT-OAHLLOKOSA-N 1 3 310.463 2.151 20 0 DEADHO C[C@@H](F)CC[NH+]1CC(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001032207161 689082961 /nfs/dbraw/zinc/08/29/61/689082961.db2.gz FSRBPVZWBHEEEK-CQSZACIVSA-N 1 3 321.440 2.158 20 0 DEADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001032492868 689167032 /nfs/dbraw/zinc/16/70/32/689167032.db2.gz BKVKLXGJCZFWMS-ULQDDVLXSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001032492868 689167035 /nfs/dbraw/zinc/16/70/35/689167035.db2.gz BKVKLXGJCZFWMS-ULQDDVLXSA-N 1 3 307.482 2.048 20 0 DEADHO C[C@@H](NC[C@H]1C[C@H]([NH3+])C1)c1ncc(Br)cc1F ZINC000873255246 689195848 /nfs/dbraw/zinc/19/58/48/689195848.db2.gz FIXYKBUQXUCMEG-NQMVMOMDSA-N 1 3 302.191 2.371 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(CC=C(C)C)C2)CC[N@@H+]1C ZINC001033098045 689385720 /nfs/dbraw/zinc/38/57/20/689385720.db2.gz BAHNMKBYESHGPY-YESZJQIVSA-N 1 3 307.482 2.216 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(CC=C(C)C)C2)CC[N@H+]1C ZINC001033098045 689385724 /nfs/dbraw/zinc/38/57/24/689385724.db2.gz BAHNMKBYESHGPY-YESZJQIVSA-N 1 3 307.482 2.216 20 0 DEADHO CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001033296725 689452272 /nfs/dbraw/zinc/45/22/72/689452272.db2.gz YEYQVNCTVJDIKD-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001033296725 689452275 /nfs/dbraw/zinc/45/22/75/689452275.db2.gz YEYQVNCTVJDIKD-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001033415717 689493601 /nfs/dbraw/zinc/49/36/01/689493601.db2.gz KEOXMWDHJLTOQX-SJLPKXTDSA-N 1 3 315.461 2.204 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001033415717 689493602 /nfs/dbraw/zinc/49/36/02/689493602.db2.gz KEOXMWDHJLTOQX-SJLPKXTDSA-N 1 3 315.461 2.204 20 0 DEADHO CCCN(C(=O)NC1CCC(C)([NH+](C)C)CC1)[C@@H]1CCN(C)C1 ZINC000876108066 689762282 /nfs/dbraw/zinc/76/22/82/689762282.db2.gz OMRWECZYRIQEKO-UPTPFMHGSA-N 1 3 324.513 2.375 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001034331651 689812782 /nfs/dbraw/zinc/81/27/82/689812782.db2.gz UUWZWQLILMFEQZ-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001034331651 689812786 /nfs/dbraw/zinc/81/27/86/689812786.db2.gz UUWZWQLILMFEQZ-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)(C(=O)N[C@H]1CCCC[N@H+](CC2CC2)C1)N1CCCC1 ZINC001034340494 689815419 /nfs/dbraw/zinc/81/54/19/689815419.db2.gz PHVWDLKJYODGAD-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)(C(=O)N[C@H]1CCCC[N@@H+](CC2CC2)C1)N1CCCC1 ZINC001034340494 689815421 /nfs/dbraw/zinc/81/54/21/689815421.db2.gz PHVWDLKJYODGAD-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CCN(CC2CCCCC2)CC1 ZINC000876718764 689913810 /nfs/dbraw/zinc/91/38/10/689913810.db2.gz SZYCZZQABYWPBX-JJEJIETFSA-N 1 3 319.493 2.267 20 0 DEADHO CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001034732772 689936305 /nfs/dbraw/zinc/93/63/05/689936305.db2.gz JKDCGIYBDYEKFH-CKEIUWERSA-N 1 3 313.461 2.236 20 0 DEADHO C[C@@H](COc1ccccc1)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000876976011 689987429 /nfs/dbraw/zinc/98/74/29/689987429.db2.gz LJEILLMRKAXVTE-HNNXBMFYSA-N 1 3 306.450 2.279 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1)N(C)C ZINC001034971017 690001390 /nfs/dbraw/zinc/00/13/90/690001390.db2.gz AQCNIIHWIFHSDY-IAGOWNOFSA-N 1 3 303.450 2.107 20 0 DEADHO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)[C@H](N)CC(F)F ZINC000877030213 690001782 /nfs/dbraw/zinc/00/17/82/690001782.db2.gz BOXQPZIWYNKSFD-UMVBOHGHSA-N 1 3 323.387 2.112 20 0 DEADHO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)[C@H](N)CC(F)F ZINC000877030213 690001784 /nfs/dbraw/zinc/00/17/84/690001784.db2.gz BOXQPZIWYNKSFD-UMVBOHGHSA-N 1 3 323.387 2.112 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CC[NH2+]C1CC1 ZINC000877030725 690002054 /nfs/dbraw/zinc/00/20/54/690002054.db2.gz KVCVNWYUILTRPH-SJLPKXTDSA-N 1 3 313.445 2.271 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000877030575 690002220 /nfs/dbraw/zinc/00/22/20/690002220.db2.gz IKWSMCCSRHLIOR-GKLJAUDBSA-N 1 3 301.434 2.113 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)C1CC[NH2+]CC1 ZINC000877033192 690002693 /nfs/dbraw/zinc/00/26/93/690002693.db2.gz RVYGNFFXGULYLC-SJLPKXTDSA-N 1 3 313.445 2.129 20 0 DEADHO COc1c(C)cnc(CNCCCC[N@@H+]2CCC[C@@H]2CO)c1C ZINC000877041748 690005749 /nfs/dbraw/zinc/00/57/49/690005749.db2.gz NEYBCRBZRDSJRD-MRXNPFEDSA-N 1 3 321.465 2.034 20 0 DEADHO COc1c(C)cnc(CNCCCC[N@H+]2CCC[C@@H]2CO)c1C ZINC000877041748 690005755 /nfs/dbraw/zinc/00/57/55/690005755.db2.gz NEYBCRBZRDSJRD-MRXNPFEDSA-N 1 3 321.465 2.034 20 0 DEADHO CC1(C)CC[C@H](CNC(=O)C[C@H]2NCc3ccccc32)[NH2+]C1 ZINC000877153463 690031724 /nfs/dbraw/zinc/03/17/24/690031724.db2.gz HPOFIVVIVUOVDC-GDBMZVCRSA-N 1 3 301.434 2.115 20 0 DEADHO CC1(C)CC(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCCC2)C1 ZINC001035125516 690033726 /nfs/dbraw/zinc/03/37/26/690033726.db2.gz IVGOPVLWAGUJLN-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H](F)CC[N@@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001035231824 690067768 /nfs/dbraw/zinc/06/77/68/690067768.db2.gz SPXMFWMEBXASFK-CQSZACIVSA-N 1 3 322.428 2.015 20 0 DEADHO C[C@@H](F)CC[N@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001035231824 690067773 /nfs/dbraw/zinc/06/77/73/690067773.db2.gz SPXMFWMEBXASFK-CQSZACIVSA-N 1 3 322.428 2.015 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000877403900 690103628 /nfs/dbraw/zinc/10/36/28/690103628.db2.gz WKVIMOHNUUWSRD-XHSDSOJGSA-N 1 3 307.482 2.288 20 0 DEADHO CN(CC(=O)N[C@H]1CCCCC12CC[NH2+]CC2)CC(C)(C)C ZINC000877408293 690104834 /nfs/dbraw/zinc/10/48/34/690104834.db2.gz JWFCYWPYPNDZOP-HNNXBMFYSA-N 1 3 309.498 2.393 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000877450409 690116508 /nfs/dbraw/zinc/11/65/08/690116508.db2.gz GWMOARLIYSEFBB-DOTOQJQBSA-N 1 3 309.498 2.474 20 0 DEADHO CN1CC[C@]2(CC[N@H+](C[C@H]3CCCN3C(=O)OC(C)(C)C)C2)C1 ZINC000877546865 690148375 /nfs/dbraw/zinc/14/83/75/690148375.db2.gz XPPGEBUYEUYWSC-QAPCUYQASA-N 1 3 323.481 2.414 20 0 DEADHO CN1CC[C@]2(CC[N@@H+](C[C@H]3CCCN3C(=O)OC(C)(C)C)C2)C1 ZINC000877546865 690148376 /nfs/dbraw/zinc/14/83/76/690148376.db2.gz XPPGEBUYEUYWSC-QAPCUYQASA-N 1 3 323.481 2.414 20 0 DEADHO COCCN(Cc1ccc(OC)c(O)c1)CC1CC[NH+](C)CC1 ZINC000877665633 690183371 /nfs/dbraw/zinc/18/33/71/690183371.db2.gz ZOMVEMQJSHJZGP-UHFFFAOYSA-N 1 3 322.449 2.191 20 0 DEADHO CC[C@H](C)N(CC(=O)NC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000877939339 690266210 /nfs/dbraw/zinc/26/62/10/690266210.db2.gz VUYPIHUNCPHACX-INIZCTEOSA-N 1 3 317.477 2.498 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CCC3CC3)[C@H](C)C2)CC1 ZINC001036224905 690294988 /nfs/dbraw/zinc/29/49/88/690294988.db2.gz MJAYKDBORUXGTA-SJLPKXTDSA-N 1 3 321.509 2.345 20 0 DEADHO CC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001036306021 690316035 /nfs/dbraw/zinc/31/60/35/690316035.db2.gz VWFMXBFEHLLEND-RHSMWYFYSA-N 1 3 303.450 2.208 20 0 DEADHO CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001036403102 690342084 /nfs/dbraw/zinc/34/20/84/690342084.db2.gz ZUOBXLDTXLQCLX-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](NCC(=O)NC1CC[NH+](C)CC1)c1cccc(C2CC2)c1 ZINC000878659542 690469287 /nfs/dbraw/zinc/46/92/87/690469287.db2.gz DTOCCJPQSCSDBQ-AWEZNQCLSA-N 1 3 315.461 2.425 20 0 DEADHO O[C@@H]1CCN(C2CC[NH+](CC[C@@H]3CCCC3(F)F)CC2)C1 ZINC000878992795 690544106 /nfs/dbraw/zinc/54/41/06/690544106.db2.gz DGHRJNMTSYHRGG-DZGCQCFKSA-N 1 3 302.409 2.343 20 0 DEADHO Cc1cccc([C@@H](NCC(=O)NC2CC[NH+](C)CC2)C(C)C)c1 ZINC000879052733 690558611 /nfs/dbraw/zinc/55/86/11/690558611.db2.gz FGENELJHCIIYHD-IBGZPJMESA-N 1 3 317.477 2.492 20 0 DEADHO C[C@H](C(=O)NC1CCCC1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248409 690602483 /nfs/dbraw/zinc/60/24/83/690602483.db2.gz MZRNDQUDYDLYBJ-OAHLLOKOSA-N 1 3 307.482 2.242 20 0 DEADHO CN1CC[NH+](C2CCN(CCSc3ccccc3)CC2)CC1 ZINC000879592069 690683152 /nfs/dbraw/zinc/68/31/52/690683152.db2.gz CXLULLZFOBKBGL-UHFFFAOYSA-N 1 3 319.518 2.491 20 0 DEADHO CCC(CC)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001038238833 690751787 /nfs/dbraw/zinc/75/17/87/690751787.db2.gz IUBKGZZUHGBQCJ-IAGOWNOFSA-N 1 3 309.498 2.486 20 0 DEADHO CCC(CC)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001038238833 690751792 /nfs/dbraw/zinc/75/17/92/690751792.db2.gz IUBKGZZUHGBQCJ-IAGOWNOFSA-N 1 3 309.498 2.486 20 0 DEADHO O=C(NC[C@H]1CCN1CC1CC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038247164 690755991 /nfs/dbraw/zinc/75/59/91/690755991.db2.gz HFPNCCQYONIFDW-SJLPKXTDSA-N 1 3 319.493 2.242 20 0 DEADHO O=C(NC[C@H]1CCN1CC1CC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038247164 690755994 /nfs/dbraw/zinc/75/59/94/690755994.db2.gz HFPNCCQYONIFDW-SJLPKXTDSA-N 1 3 319.493 2.242 20 0 DEADHO C[N@@H+]1CC[C@@H]2CN([C@H]3CCCN(c4ccccc4)C3=O)C[C@@H]2C1 ZINC000931440031 694396689 /nfs/dbraw/zinc/39/66/89/694396689.db2.gz SIPOCOVMPAKHOC-RYRKJORJSA-N 1 3 313.445 2.066 20 0 DEADHO C[N@H+]1CC[C@@H]2CN([C@H]3CCCN(c4ccccc4)C3=O)C[C@@H]2C1 ZINC000931440031 694396691 /nfs/dbraw/zinc/39/66/91/694396691.db2.gz SIPOCOVMPAKHOC-RYRKJORJSA-N 1 3 313.445 2.066 20 0 DEADHO O=C(NC[C@@H]1CCN1CCC1CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001038348141 690790801 /nfs/dbraw/zinc/79/08/01/690790801.db2.gz AKSQLTAJPAPXEF-ZWKOTPCHSA-N 1 3 319.493 2.384 20 0 DEADHO O=C(NC[C@@H]1CCN1CCC1CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001038348141 690790804 /nfs/dbraw/zinc/79/08/04/690790804.db2.gz AKSQLTAJPAPXEF-ZWKOTPCHSA-N 1 3 319.493 2.384 20 0 DEADHO CC[C@H](C)CN1CC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001038393667 690804697 /nfs/dbraw/zinc/80/46/97/690804697.db2.gz JAPYFFJFLPVCFS-JKSUJKDBSA-N 1 3 307.482 2.099 20 0 DEADHO CCC(CC)CN1CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001038456534 690827234 /nfs/dbraw/zinc/82/72/34/690827234.db2.gz WHBCCDLHCVEGFR-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1cccc(C)c1OCCCN1CCC(O)(C[NH+](C)C)CC1 ZINC000931485436 694409645 /nfs/dbraw/zinc/40/96/45/694409645.db2.gz IDSCLBIBRJISPB-UHFFFAOYSA-N 1 3 320.477 2.461 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001038782274 690924408 /nfs/dbraw/zinc/92/44/08/690924408.db2.gz RJIZKDJXJOODPO-SJORKVTESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001038782274 690924412 /nfs/dbraw/zinc/92/44/12/690924412.db2.gz RJIZKDJXJOODPO-SJORKVTESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC1CC1 ZINC001038783481 690924985 /nfs/dbraw/zinc/92/49/85/690924985.db2.gz XUFNKCVMVOZBIW-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCC1CC1 ZINC001038783481 690924988 /nfs/dbraw/zinc/92/49/88/690924988.db2.gz XUFNKCVMVOZBIW-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCN2CC2CC(C)C2)CC1 ZINC001038867641 690949712 /nfs/dbraw/zinc/94/97/12/690949712.db2.gz AQDRSBNETHNMHF-HTWSVDAQSA-N 1 3 321.509 2.343 20 0 DEADHO CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001039163364 691036748 /nfs/dbraw/zinc/03/67/48/691036748.db2.gz BEYPJLWJAPMDEO-SJLPKXTDSA-N 1 3 321.509 2.299 20 0 DEADHO CCC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001039163364 691036752 /nfs/dbraw/zinc/03/67/52/691036752.db2.gz BEYPJLWJAPMDEO-SJLPKXTDSA-N 1 3 321.509 2.299 20 0 DEADHO CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039172775 691039091 /nfs/dbraw/zinc/03/90/91/691039091.db2.gz DZFOBEPQHHPSRJ-SFHVURJKSA-N 1 3 321.509 2.443 20 0 DEADHO CCCC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039172775 691039094 /nfs/dbraw/zinc/03/90/94/691039094.db2.gz DZFOBEPQHHPSRJ-SFHVURJKSA-N 1 3 321.509 2.443 20 0 DEADHO CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001040240444 691218377 /nfs/dbraw/zinc/21/83/77/691218377.db2.gz FZHGPSKGVYGNDN-PKOBYXMFSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001040240444 691218378 /nfs/dbraw/zinc/21/83/78/691218378.db2.gz FZHGPSKGVYGNDN-PKOBYXMFSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC(C)C)C2)N(C)C ZINC001040261926 691222339 /nfs/dbraw/zinc/22/23/39/691222339.db2.gz QNIZDHZXSDBKQI-AEFFLSMTSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC(C)C)C2)N(C)C ZINC001040261926 691222340 /nfs/dbraw/zinc/22/23/40/691222340.db2.gz QNIZDHZXSDBKQI-AEFFLSMTSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001040396995 691242259 /nfs/dbraw/zinc/24/22/59/691242259.db2.gz XNTRUFVEJSQIPQ-IEBWSBKVSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001040396995 691242262 /nfs/dbraw/zinc/24/22/62/691242262.db2.gz XNTRUFVEJSQIPQ-IEBWSBKVSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001041358880 691366489 /nfs/dbraw/zinc/36/64/89/691366489.db2.gz RFMHZBGTBLPMQC-HKUYNNGSSA-N 1 3 319.493 2.217 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001041358880 691366494 /nfs/dbraw/zinc/36/64/94/691366494.db2.gz RFMHZBGTBLPMQC-HKUYNNGSSA-N 1 3 319.493 2.217 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@@]2(CC[N@H+](CC3CCCC3)C2)C1 ZINC001041712536 691414388 /nfs/dbraw/zinc/41/43/88/691414388.db2.gz PTHUDGBDXHYXFY-GOSISDBHSA-N 1 3 316.449 2.067 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@@]2(CC[N@@H+](CC3CCCC3)C2)C1 ZINC001041712536 691414390 /nfs/dbraw/zinc/41/43/90/691414390.db2.gz PTHUDGBDXHYXFY-GOSISDBHSA-N 1 3 316.449 2.067 20 0 DEADHO COC[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)[C@H]1CCCOC1 ZINC000883237691 691463279 /nfs/dbraw/zinc/46/32/79/691463279.db2.gz IEXQIYDOYPIHDR-SQNIBIBYSA-N 1 3 310.482 2.140 20 0 DEADHO C[C@@H]1[C@H](C(=O)N(C)C2CN(CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001042746709 691647512 /nfs/dbraw/zinc/64/75/12/691647512.db2.gz KOVHUHYSYHXVAZ-CRAIPNDOSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H]1[C@H](C(=O)N(C)C2CN(CC3CCCCCC3)C2)CC[N@H+]1C ZINC001042746709 691647514 /nfs/dbraw/zinc/64/75/14/691647514.db2.gz KOVHUHYSYHXVAZ-CRAIPNDOSA-N 1 3 321.509 2.440 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[NH2+]CC1(C)C)c1ccsc1 ZINC000884188888 691677698 /nfs/dbraw/zinc/67/76/98/691677698.db2.gz RLSZCKRXJBEXPZ-HUUCEWRRSA-N 1 3 323.506 2.493 20 0 DEADHO N[C@H](CC1CC1)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000884274984 691697822 /nfs/dbraw/zinc/69/78/22/691697822.db2.gz ZJWBBEGDWUZBSL-GFCCVEGCSA-N 1 3 301.312 2.230 20 0 DEADHO CN(C)Cc1ccoc1C(=O)N(C)C1C[NH+](CC2CCCC2)C1 ZINC001043668020 691728910 /nfs/dbraw/zinc/72/89/10/691728910.db2.gz UCZMOVCOFKRLIB-UHFFFAOYSA-N 1 3 319.449 2.288 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC2CCC2)CCN1C(=O)CN(C)C1CCC1 ZINC001044628623 691861658 /nfs/dbraw/zinc/86/16/58/691861658.db2.gz IQCXIVUUJAUQQL-GDBMZVCRSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@@H](C)C1 ZINC001044742220 691880724 /nfs/dbraw/zinc/88/07/24/691880724.db2.gz HCIMWFXLGAMCDH-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO CC1CC(C[NH2+]C[C@@H]2CCCN2C(=O)C2(N(C)C)CCC2)C1 ZINC001045067172 691934941 /nfs/dbraw/zinc/93/49/41/691934941.db2.gz LXFBZMRHOBYLEZ-GPANFISMSA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccsc1)C1CC1 ZINC001045067258 691934999 /nfs/dbraw/zinc/93/49/99/691934999.db2.gz ISZHTMLOUMRIRI-JKSUJKDBSA-N 1 3 321.490 2.169 20 0 DEADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]C/C=C\c2cccc(F)c2)C1 ZINC000885970628 691974458 /nfs/dbraw/zinc/97/44/58/691974458.db2.gz FSGRLCLOLFTCDO-CPCLXONGSA-N 1 3 319.424 2.016 20 0 DEADHO C([C@H]1CCC2(CCOCC2)CO1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886876183 692218624 /nfs/dbraw/zinc/21/86/24/692218624.db2.gz TUMSWBCWILVONB-MJGOQNOKSA-N 1 3 322.493 2.428 20 0 DEADHO [NH2+]=C(NCC1CC1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000887358100 692344013 /nfs/dbraw/zinc/34/40/13/692344013.db2.gz RKROFPFETRMIAY-UHFFFAOYSA-N 1 3 318.387 2.316 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H](C2CC[NH+](CC)CC2)C1)N(C)C ZINC001047244791 692401686 /nfs/dbraw/zinc/40/16/86/692401686.db2.gz UJFFLKAIFXDYJZ-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@@H]([NH2+]CC1CCCC1)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047864269 692502740 /nfs/dbraw/zinc/50/27/40/692502740.db2.gz LNDXVPYBYIYXLH-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CC3CCCC3)C[C@@H]2C1 ZINC001049056899 692753793 /nfs/dbraw/zinc/75/37/93/692753793.db2.gz CVURLXWVDIOOAX-NXHRZFHOSA-N 1 3 319.493 2.051 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CC3CCCC3)C[C@@H]2C1 ZINC001049056899 692753795 /nfs/dbraw/zinc/75/37/95/692753795.db2.gz CVURLXWVDIOOAX-NXHRZFHOSA-N 1 3 319.493 2.051 20 0 DEADHO CCC(CC)C[N@H+]1C[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C1 ZINC001049059093 692754081 /nfs/dbraw/zinc/75/40/81/692754081.db2.gz NHKOXIWGUAVCBO-RYQLBKOJSA-N 1 3 321.509 2.155 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C1 ZINC001049059093 692754084 /nfs/dbraw/zinc/75/40/84/692754084.db2.gz NHKOXIWGUAVCBO-RYQLBKOJSA-N 1 3 321.509 2.155 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C(C)C)C[C@@H]2C1 ZINC001049097135 692762819 /nfs/dbraw/zinc/76/28/19/692762819.db2.gz GPROCHBOMZFIIB-BBWFWOEESA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C1 ZINC001049097135 692762821 /nfs/dbraw/zinc/76/28/21/692762821.db2.gz GPROCHBOMZFIIB-BBWFWOEESA-N 1 3 307.482 2.048 20 0 DEADHO COC(=O)[C@@H]1[C@H](CN2CCC(CCC[NH+](C)C)CC2)C1(F)F ZINC000894057496 692975203 /nfs/dbraw/zinc/97/52/03/692975203.db2.gz KXLTWDQFQBXIBP-KBPBESRZSA-N 1 3 318.408 2.095 20 0 DEADHO COCCC[NH+]1CCC(N[C@@H](C)C2(Br)CC2)CC1 ZINC000924911020 693200403 /nfs/dbraw/zinc/20/04/03/693200403.db2.gz AFTVEKKUGUCUFP-LBPRGKRZSA-N 1 3 319.287 2.393 20 0 DEADHO C[C@H]1[C@H](NC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)CCN1C ZINC000925060676 693220996 /nfs/dbraw/zinc/22/09/96/693220996.db2.gz OCPJJEKZXNLPHA-UERKLNTKSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CC[NH+](CCC1CC1)CC2 ZINC001050663117 693226656 /nfs/dbraw/zinc/22/66/56/693226656.db2.gz QUTUGEPOEAWFGA-MRXNPFEDSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CC[NH+](CC2CCC2)CC3)C1 ZINC001050662963 693227007 /nfs/dbraw/zinc/22/70/07/693227007.db2.gz NZLIMQUYBHSBNY-MRXNPFEDSA-N 1 3 319.493 2.053 20 0 DEADHO CC[C@H](C)C[NH+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001050663385 693227647 /nfs/dbraw/zinc/22/76/47/693227647.db2.gz SLJOVJLVXPEASW-DLBZAZTESA-N 1 3 321.509 2.441 20 0 DEADHO CC1(C)[C@@H](NC[C@@H](CO)Cc2ccc(F)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925500870 693284015 /nfs/dbraw/zinc/28/40/15/693284015.db2.gz GYUGVRQKDSMIAI-RANZSIQMSA-N 1 3 320.452 2.343 20 0 DEADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@@H](CO)Cc1ccc(F)cc1 ZINC000925500870 693284019 /nfs/dbraw/zinc/28/40/19/693284019.db2.gz GYUGVRQKDSMIAI-RANZSIQMSA-N 1 3 320.452 2.343 20 0 DEADHO C[C@@H](c1ccncc1)N1CCC(N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925608508 693307800 /nfs/dbraw/zinc/30/78/00/693307800.db2.gz ZCINJSXFMQKGQM-MAUKXSAKSA-N 1 3 314.477 2.481 20 0 DEADHO C[C@@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccnc(Cl)c1 ZINC000925850297 693352579 /nfs/dbraw/zinc/35/25/79/693352579.db2.gz IBYLAQYMNUOXKF-YPMHNXCESA-N 1 3 323.824 2.071 20 0 DEADHO CC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(OC)n1 ZINC000926357169 693435970 /nfs/dbraw/zinc/43/59/70/693435970.db2.gz NOIZUEHFTPOEPM-OAHLLOKOSA-N 1 3 320.481 2.157 20 0 DEADHO C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1CCC2(CCOCC2)O1 ZINC000927011681 693543165 /nfs/dbraw/zinc/54/31/65/693543165.db2.gz DYRWBODDJRRFBX-KRWDZBQOSA-N 1 3 308.466 2.179 20 0 DEADHO CC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052701354 693599013 /nfs/dbraw/zinc/59/90/13/693599013.db2.gz DNDGULBPPGWQDA-WMLDXEAASA-N 1 3 313.461 2.190 20 0 DEADHO CC[N@H+]1CCC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052701354 693599016 /nfs/dbraw/zinc/59/90/16/693599016.db2.gz DNDGULBPPGWQDA-WMLDXEAASA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053037904 693674374 /nfs/dbraw/zinc/67/43/74/693674374.db2.gz CJFZWZLSJNEROW-JKSUJKDBSA-N 1 3 318.465 2.311 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053037904 693674376 /nfs/dbraw/zinc/67/43/76/693674376.db2.gz CJFZWZLSJNEROW-JKSUJKDBSA-N 1 3 318.465 2.311 20 0 DEADHO CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099824 693689467 /nfs/dbraw/zinc/68/94/67/693689467.db2.gz ZNNXUQWYIKXYLQ-RDJZCZTQSA-N 1 3 318.465 2.455 20 0 DEADHO CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099824 693689471 /nfs/dbraw/zinc/68/94/71/693689471.db2.gz ZNNXUQWYIKXYLQ-RDJZCZTQSA-N 1 3 318.465 2.455 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21 ZINC000932416347 694609955 /nfs/dbraw/zinc/60/99/55/694609955.db2.gz OKDHKIBTMVJKSL-AEFFLSMTSA-N 1 3 315.461 2.379 20 0 DEADHO O=C(CCC[NH+]1CCCC1)N1CC[C@H](NCc2ccsc2)C1 ZINC001402463683 1162361670 /nfs/dbraw/zinc/36/16/70/1162361670.db2.gz KAWURJFSGXEPSY-INIZCTEOSA-N 1 3 321.490 2.315 20 0 DEADHO C[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2CCC(F)(F)F ZINC001402549899 1162389433 /nfs/dbraw/zinc/38/94/33/1162389433.db2.gz NTPAGXWEHAKNJW-YHWZYXNKSA-N 1 3 321.387 2.002 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2C)C1)N(C)C ZINC001402599000 1162406174 /nfs/dbraw/zinc/40/61/74/1162406174.db2.gz XRQHMICVSVEQRW-FGTMMUONSA-N 1 3 317.477 2.380 20 0 DEADHO CCC[N@H+](C)CCCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001402652516 1162428901 /nfs/dbraw/zinc/42/89/01/1162428901.db2.gz GKEREUPFKOVCPA-QGZVFWFLSA-N 1 3 315.477 2.389 20 0 DEADHO CCC[N@@H+](C)CCCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001402652516 1162428902 /nfs/dbraw/zinc/42/89/02/1162428902.db2.gz GKEREUPFKOVCPA-QGZVFWFLSA-N 1 3 315.477 2.389 20 0 DEADHO CC[C@H](c1ccccc1)N1CCN(C[C@@H](O)C[N@H+](C)CC)CC1 ZINC001413964916 1151871576 /nfs/dbraw/zinc/87/15/76/1151871576.db2.gz NHNVQOUNKSZOHB-RBUKOAKNSA-N 1 3 319.493 2.068 20 0 DEADHO CC[C@H](c1ccccc1)N1CCN(C[C@@H](O)C[N@@H+](C)CC)CC1 ZINC001413964916 1151871577 /nfs/dbraw/zinc/87/15/77/1151871577.db2.gz NHNVQOUNKSZOHB-RBUKOAKNSA-N 1 3 319.493 2.068 20 0 DEADHO CCC(CC)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001402768651 1162465798 /nfs/dbraw/zinc/46/57/98/1162465798.db2.gz FTNDDEDGLMRJHD-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CCN(C)C(=O)CCN1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001414039462 1152544834 /nfs/dbraw/zinc/54/48/34/1152544834.db2.gz XKYUNRSLSHVLTC-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCN(C)C(=O)CC[N@@H+]1CCC[C@@H]1CCN1CCC(C)CC1 ZINC001414039462 1152544840 /nfs/dbraw/zinc/54/48/40/1152544840.db2.gz XKYUNRSLSHVLTC-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCN(C)C(=O)CC[N@H+]1CCC[C@@H]1CCN1CCC(C)CC1 ZINC001414039462 1152544843 /nfs/dbraw/zinc/54/48/43/1152544843.db2.gz XKYUNRSLSHVLTC-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@H](C(=O)N[C@H](C[NH2+]Cc1csc(C)c1)C1CC1)N(C)C ZINC001379919063 1152713484 /nfs/dbraw/zinc/71/34/84/1152713484.db2.gz KWHSWASSYCEERC-HZPDHXFCSA-N 1 3 323.506 2.381 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1csc(C)c1 ZINC001380283990 1152781349 /nfs/dbraw/zinc/78/13/49/1152781349.db2.gz JWZQGXQRVNYNKY-INIZCTEOSA-N 1 3 323.506 2.479 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](C(C)C)C1 ZINC001380475235 1152818537 /nfs/dbraw/zinc/81/85/37/1152818537.db2.gz XZBAORKQEGPTQG-FUHWJXTLSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@H+](C(C)C)C1 ZINC001380475235 1152818540 /nfs/dbraw/zinc/81/85/40/1152818540.db2.gz XZBAORKQEGPTQG-FUHWJXTLSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CC2(C1)CCN(C/C=C\Cl)CC2 ZINC001380803456 1152859021 /nfs/dbraw/zinc/85/90/21/1152859021.db2.gz MJHTWNXOFYSAGY-YWEYNIOJSA-N 1 3 313.873 2.005 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CC2(C1)CCN(C/C=C\Cl)CC2 ZINC001380803456 1152859023 /nfs/dbraw/zinc/85/90/23/1152859023.db2.gz MJHTWNXOFYSAGY-YWEYNIOJSA-N 1 3 313.873 2.005 20 0 DEADHO C[C@@H](CC[NH+](C)C)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001362261390 1152863509 /nfs/dbraw/zinc/86/35/09/1152863509.db2.gz QQABEZXFBJOHKN-WMZOPIPTSA-N 1 3 317.477 2.307 20 0 DEADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC[C@@H]3N(C)CCCC3(C)C)C[N@@H+]2C1 ZINC001362429230 1152902927 /nfs/dbraw/zinc/90/29/27/1152902927.db2.gz WRTCBPCESRDVBC-NCOADZHNSA-N 1 3 321.509 2.343 20 0 DEADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC[C@@H]3N(C)CCCC3(C)C)C[N@H+]2C1 ZINC001362429230 1152902930 /nfs/dbraw/zinc/90/29/30/1152902930.db2.gz WRTCBPCESRDVBC-NCOADZHNSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC001362442118 1152909318 /nfs/dbraw/zinc/90/93/18/1152909318.db2.gz RSFHORBIOLVAQR-MRXNPFEDSA-N 1 3 321.465 2.290 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](C(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC001362442118 1152909328 /nfs/dbraw/zinc/90/93/28/1152909328.db2.gz RSFHORBIOLVAQR-MRXNPFEDSA-N 1 3 321.465 2.290 20 0 DEADHO C[C@H](CNC(=O)CC[NH+](C)C)N(C)[C@H]1CCc2c1cccc2F ZINC001381572930 1153134924 /nfs/dbraw/zinc/13/49/24/1153134924.db2.gz ZZQPBYLJHQDHIQ-DYVFJYSZSA-N 1 3 321.440 2.201 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[N@@H+](C)C[C@H](C)CC(C)C ZINC001381620756 1153158679 /nfs/dbraw/zinc/15/86/79/1153158679.db2.gz IDDCKZDYHBWPBB-KGLIPLIRSA-N 1 3 308.470 2.379 20 0 DEADHO Cc1cccc(CN2C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C2)c1 ZINC001381878478 1153260991 /nfs/dbraw/zinc/26/09/91/1153260991.db2.gz RSLOEORLFJCQFV-KRWDZBQOSA-N 1 3 317.477 2.273 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCC3CC3)C[C@H]2C1 ZINC001381921514 1153274833 /nfs/dbraw/zinc/27/48/33/1153274833.db2.gz BHGADLMHZXTYMJ-KZNAEPCWSA-N 1 3 321.509 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCC3CC3)C[C@H]2C1 ZINC001381921514 1153274837 /nfs/dbraw/zinc/27/48/37/1153274837.db2.gz BHGADLMHZXTYMJ-KZNAEPCWSA-N 1 3 321.509 2.345 20 0 DEADHO CC1CC(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)CN(C)C2CCC2)C1 ZINC001382019556 1153319621 /nfs/dbraw/zinc/31/96/21/1153319621.db2.gz OXMBDUWQCAJIPL-JMLCCBQJSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)c1cnc(CNC2CCN(CC[NH+](C)C)CC2)s1 ZINC001363349282 1153350465 /nfs/dbraw/zinc/35/04/65/1153350465.db2.gz GUSJUFJRFPUNBH-UHFFFAOYSA-N 1 3 310.511 2.382 20 0 DEADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(F)cc1 ZINC001382087703 1153351671 /nfs/dbraw/zinc/35/16/71/1153351671.db2.gz DDUMGIZZSUPFNH-CQSZACIVSA-N 1 3 321.440 2.247 20 0 DEADHO Cc1ccccc1CNC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001363369950 1153365380 /nfs/dbraw/zinc/36/53/80/1153365380.db2.gz VLLDAZZGCXVELO-UHFFFAOYSA-N 1 3 303.450 2.027 20 0 DEADHO Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)[C@H]2C)c1 ZINC001382313339 1153421128 /nfs/dbraw/zinc/42/11/28/1153421128.db2.gz SUTVCCQBVNZQKS-FUHWJXTLSA-N 1 3 317.477 2.414 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(C(C)(C)CC)CC2)C1 ZINC001363468933 1153422437 /nfs/dbraw/zinc/42/24/37/1153422437.db2.gz MDOQWTILXQXXBY-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCN(C(C)(C)CC)CC2)C1 ZINC001363468933 1153422440 /nfs/dbraw/zinc/42/24/40/1153422440.db2.gz MDOQWTILXQXXBY-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@@H](CNCc1ccccn1)C(C)(C)C ZINC001382515396 1153460305 /nfs/dbraw/zinc/46/03/05/1153460305.db2.gz AXHDAFNFKCGYLK-INIZCTEOSA-N 1 3 320.481 2.044 20 0 DEADHO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001363579267 1153469744 /nfs/dbraw/zinc/46/97/44/1153469744.db2.gz GIQIMEPEHKVOCG-DLBZAZTESA-N 1 3 307.482 2.336 20 0 DEADHO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001363579267 1153469748 /nfs/dbraw/zinc/46/97/48/1153469748.db2.gz GIQIMEPEHKVOCG-DLBZAZTESA-N 1 3 307.482 2.336 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]Cc2ccccc2)C1 ZINC001382588708 1153476567 /nfs/dbraw/zinc/47/65/67/1153476567.db2.gz FLYNYMMGOHUUJC-UHFFFAOYSA-N 1 3 303.450 2.106 20 0 DEADHO COC(=O)C1CC([NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC001363676005 1153548277 /nfs/dbraw/zinc/54/82/77/1153548277.db2.gz JAKNNFPDGLHJCY-CCGTUFIJSA-N 1 3 316.445 2.296 20 0 DEADHO C[NH+]1CCC(N2CC[C@@H](NCc3cc(F)ccc3F)C2)CC1 ZINC001363861546 1153676547 /nfs/dbraw/zinc/67/65/47/1153676547.db2.gz FDJIEHWPBDOMLP-OAHLLOKOSA-N 1 3 309.404 2.223 20 0 DEADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)C[C@@H]1C ZINC001363928556 1153726656 /nfs/dbraw/zinc/72/66/56/1153726656.db2.gz FEWMDYWIKBQPKB-KMIMBKNBSA-N 1 3 308.466 2.284 20 0 DEADHO CC(C)C[NH2+][C@H](CNC(=O)[C@H]1CCCCN1C(C)C)C1CC1 ZINC001389669300 1155391829 /nfs/dbraw/zinc/39/18/29/1155391829.db2.gz FRUDQMHFAMGJAJ-IAGOWNOFSA-N 1 3 309.498 2.390 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]([NH2+]CC2CCCCC2)C2CC2)C1 ZINC001389675703 1155393594 /nfs/dbraw/zinc/39/35/94/1155393594.db2.gz YMQULAKHEKBXSV-YJBOKZPZSA-N 1 3 321.509 2.393 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1)C1CC1)N(C)C ZINC001389684389 1155395414 /nfs/dbraw/zinc/39/54/14/1155395414.db2.gz FKJNPRRNNABAGY-MSOLQXFVSA-N 1 3 317.477 2.257 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1)N(C)C ZINC001389902517 1155466968 /nfs/dbraw/zinc/46/69/68/1155466968.db2.gz QYFUVLDOAANFKU-BZSNNMDCSA-N 1 3 317.477 2.380 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCc3ccccc32)C1)N(C)C ZINC001389904034 1155467625 /nfs/dbraw/zinc/46/76/25/1155467625.db2.gz ZSRJICSEKNRGAJ-JOCBIADPSA-N 1 3 315.461 2.251 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C1)N(C)C ZINC001390012811 1155499782 /nfs/dbraw/zinc/49/97/82/1155499782.db2.gz SVXGDMPCLJGZEE-KKBVYLPWSA-N 1 3 321.440 2.464 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001370912784 1155631343 /nfs/dbraw/zinc/63/13/43/1155631343.db2.gz STJANZYFANZHSI-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001403105141 1162719056 /nfs/dbraw/zinc/71/90/56/1162719056.db2.gz PHMLBQWXWRSECE-ZDUSSCGKSA-N 1 3 311.857 2.276 20 0 DEADHO C[C@@H](CNC(=O)CC[NH+](C)C)NCc1ccc(F)c(Cl)c1 ZINC001390470858 1155741445 /nfs/dbraw/zinc/74/14/45/1155741445.db2.gz RVSGGANBQXFVAQ-NSHDSACASA-N 1 3 315.820 2.025 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC001390512730 1155777824 /nfs/dbraw/zinc/77/78/24/1155777824.db2.gz XBEYPLSETGBMRL-CYBMUJFWSA-N 1 3 311.857 2.276 20 0 DEADHO CC1CC(C[NH2+]C[C@H]2CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001390592643 1155809904 /nfs/dbraw/zinc/80/99/04/1155809904.db2.gz NBIDGPLDHBGBBS-AQFXKWCLSA-N 1 3 323.525 2.449 20 0 DEADHO Cc1ccc(C)c(C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001371432510 1155852105 /nfs/dbraw/zinc/85/21/05/1155852105.db2.gz UMSJKBFJCXAREH-AEFFLSMTSA-N 1 3 319.493 2.484 20 0 DEADHO CC[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCc1ccns1 ZINC001391695110 1156704224 /nfs/dbraw/zinc/70/42/24/1156704224.db2.gz PLNLHQBDNSKGFY-ZIAGYGMSSA-N 1 3 324.494 2.002 20 0 DEADHO CC[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCc1ccns1 ZINC001391695110 1156704236 /nfs/dbraw/zinc/70/42/36/1156704236.db2.gz PLNLHQBDNSKGFY-ZIAGYGMSSA-N 1 3 324.494 2.002 20 0 DEADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC1CC2(CCC2)C1 ZINC001391715719 1156725617 /nfs/dbraw/zinc/72/56/17/1156725617.db2.gz BKCMEKGLTRGNLO-DOTOQJQBSA-N 1 3 321.509 2.393 20 0 DEADHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccccc1F ZINC001391720257 1156736674 /nfs/dbraw/zinc/73/66/74/1156736674.db2.gz MNFFIAVSNYSQOU-GDBMZVCRSA-N 1 3 321.440 2.152 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@@H]1CCc2ccccc21)N(C)C ZINC001372970186 1156830836 /nfs/dbraw/zinc/83/08/36/1156830836.db2.gz VEHHNGJVEAITMV-SJORKVTESA-N 1 3 303.450 2.062 20 0 DEADHO Cc1ccc(CC[N@@H+](C)[C@H](C)CNC(=O)CN(C)C(C)C)cc1 ZINC001403214831 1162821408 /nfs/dbraw/zinc/82/14/08/1162821408.db2.gz AFFYVOFBZUPSFV-QGZVFWFLSA-N 1 3 319.493 2.314 20 0 DEADHO Cc1ccc(CC[N@H+](C)[C@H](C)CNC(=O)CN(C)C(C)C)cc1 ZINC001403214831 1162821409 /nfs/dbraw/zinc/82/14/09/1162821409.db2.gz AFFYVOFBZUPSFV-QGZVFWFLSA-N 1 3 319.493 2.314 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC1CCC2(CC2)CC1)N(C)C ZINC001392508129 1157082107 /nfs/dbraw/zinc/08/21/07/1157082107.db2.gz DATPSTFPFXKGMV-ZBFHGGJFSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CC1)N(C)C ZINC001403314918 1162848268 /nfs/dbraw/zinc/84/82/68/1162848268.db2.gz MSQSGDFLMIUIAV-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CCCCC[N@H+]1CC1CC1)N(C)C ZINC001403314918 1162848269 /nfs/dbraw/zinc/84/82/69/1162848269.db2.gz MSQSGDFLMIUIAV-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001403360645 1162862634 /nfs/dbraw/zinc/86/26/34/1162862634.db2.gz NSLGSBGVPPHAPP-HZPDHXFCSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001403360645 1162862635 /nfs/dbraw/zinc/86/26/35/1162862635.db2.gz NSLGSBGVPPHAPP-HZPDHXFCSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001392959519 1157568520 /nfs/dbraw/zinc/56/85/20/1157568520.db2.gz ABWPSUZLBJROHR-UHFFFAOYSA-N 1 3 307.482 2.145 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)C[NH2+][C@H]1CCc2ccccc21 ZINC001374106524 1157629869 /nfs/dbraw/zinc/62/98/69/1157629869.db2.gz XUIGADMWHQOPRJ-QAPCUYQASA-N 1 3 317.477 2.358 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+][C@@H](C)c1ccccc1 ZINC001374112391 1157633882 /nfs/dbraw/zinc/63/38/82/1157633882.db2.gz NRAWNBWXXJZMJL-HOTGVXAUSA-N 1 3 305.466 2.430 20 0 DEADHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001374246275 1157762625 /nfs/dbraw/zinc/76/26/25/1157762625.db2.gz CZTCOEXMGXPRFS-RHSMWYFYSA-N 1 3 323.456 2.411 20 0 DEADHO C[C@H](c1cccc(F)c1)N(C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001374556751 1157898981 /nfs/dbraw/zinc/89/89/81/1157898981.db2.gz SUHQCAVVQFJRJN-ZBFHGGJFSA-N 1 3 321.440 2.229 20 0 DEADHO C[C@H](c1cccc(F)c1)N(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374556751 1157898982 /nfs/dbraw/zinc/89/89/82/1157898982.db2.gz SUHQCAVVQFJRJN-ZBFHGGJFSA-N 1 3 321.440 2.229 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)CC[NH+](C)C)CCN1Cc1cccc(F)c1 ZINC001393787783 1157980642 /nfs/dbraw/zinc/98/06/42/1157980642.db2.gz SBKUQGVPFOPUDT-RHSMWYFYSA-N 1 3 321.440 2.247 20 0 DEADHO CC[N@H+](CC(C)C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001393857189 1158025179 /nfs/dbraw/zinc/02/51/79/1158025179.db2.gz GABQSOHHHIBHEN-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@@H+](CC(C)C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001393857189 1158025186 /nfs/dbraw/zinc/02/51/86/1158025186.db2.gz GABQSOHHHIBHEN-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC1CC1 ZINC001393868443 1158031966 /nfs/dbraw/zinc/03/19/66/1158031966.db2.gz GPNFNMVPAGRMJC-IEBWSBKVSA-N 1 3 315.461 2.110 20 0 DEADHO Cc1cc(C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)cs1 ZINC001374897152 1158080734 /nfs/dbraw/zinc/08/07/34/1158080734.db2.gz ANNQHXDZEZAEPH-WFASDCNBSA-N 1 3 311.495 2.237 20 0 DEADHO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)C(C)C)cc1 ZINC001394004504 1158154524 /nfs/dbraw/zinc/15/45/24/1158154524.db2.gz PZAXMNLFERQEMC-HUUCEWRRSA-N 1 3 321.465 2.018 20 0 DEADHO Cc1cc(F)ccc1CN(C)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001394102444 1158284112 /nfs/dbraw/zinc/28/41/12/1158284112.db2.gz LORALSFBRVMFLQ-OAHLLOKOSA-N 1 3 323.456 2.412 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1cccc(C)c1)N(C)C ZINC001394126761 1158319162 /nfs/dbraw/zinc/31/91/62/1158319162.db2.gz NETRFSHFIJHJIC-WBVHZDCISA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1cccc(C)c1)N(C)C ZINC001394126761 1158319170 /nfs/dbraw/zinc/31/91/70/1158319170.db2.gz NETRFSHFIJHJIC-WBVHZDCISA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@H](c1ccccc1)N1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001375344229 1158518971 /nfs/dbraw/zinc/51/89/71/1158518971.db2.gz YLQAYDDIPAUXGN-DLBZAZTESA-N 1 3 303.450 2.280 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2)[C@H]1C ZINC001394673570 1158666141 /nfs/dbraw/zinc/66/61/41/1158666141.db2.gz LCVDFEGJUGMCMM-WBVHZDCISA-N 1 3 303.450 2.106 20 0 DEADHO Cc1cc(C[NH2+]C2(CNC(=O)CN(C)C3CCC3)CC2)cs1 ZINC001375430084 1158671654 /nfs/dbraw/zinc/67/16/54/1158671654.db2.gz WUDZEPQPMUPDLK-UHFFFAOYSA-N 1 3 321.490 2.279 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCc2ccccc2)C1)N(C)C ZINC001375517310 1158795994 /nfs/dbraw/zinc/79/59/94/1158795994.db2.gz DQTGCHCMFQUNRS-FGTMMUONSA-N 1 3 317.477 2.054 20 0 DEADHO CN(C)C1(C(=O)N(C)C2CC([NH2+]CCC(F)(F)F)C2)CCC1 ZINC001394852894 1158814342 /nfs/dbraw/zinc/81/43/42/1158814342.db2.gz HEINYNJSIIZPHY-UHFFFAOYSA-N 1 3 321.387 2.002 20 0 DEADHO C[NH+](C)CCC(=O)N1CCC2(C1)CCN(C/C=C\Cl)CC2 ZINC001375637082 1158835181 /nfs/dbraw/zinc/83/51/81/1158835181.db2.gz WTAZLFPTRDKMCE-BAQGIRSFSA-N 1 3 313.873 2.005 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCC2)[C@@H]1C)N(CC)CC ZINC001375662005 1158841479 /nfs/dbraw/zinc/84/14/79/1158841479.db2.gz NCTINTTWPXGIFJ-PVAVHDDUSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CCC2)[C@@H]1C)N(CC)CC ZINC001375662005 1158841480 /nfs/dbraw/zinc/84/14/80/1158841480.db2.gz NCTINTTWPXGIFJ-PVAVHDDUSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)NCc1ccsc1 ZINC001403569563 1163009737 /nfs/dbraw/zinc/00/97/37/1163009737.db2.gz XWDQKOCMOGUSGP-CZUORRHYSA-N 1 3 321.490 2.026 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)C1)N(C)C ZINC001376140093 1159161642 /nfs/dbraw/zinc/16/16/42/1159161642.db2.gz CWBNRMQRONBLNW-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)C1)N(C)C ZINC001376140093 1159161661 /nfs/dbraw/zinc/16/16/61/1159161661.db2.gz CWBNRMQRONBLNW-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C)C[NH+]1CCC2(C[C@@H]2NC(=O)C2(N(C)C)CCC2)CC1 ZINC001376175334 1159190126 /nfs/dbraw/zinc/19/01/26/1159190126.db2.gz UUUWNTKKNGHRHH-HOTGVXAUSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](N[C@H]1CCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1F ZINC001376386718 1159378768 /nfs/dbraw/zinc/37/87/68/1159378768.db2.gz ACTWDGNPZYHWJX-GJZGRUSLSA-N 1 3 321.440 2.419 20 0 DEADHO CN(C)C1(C(=O)NCC2([NH2+]Cc3ccccc3)CCC2)CCC1 ZINC001376735446 1159741842 /nfs/dbraw/zinc/74/18/42/1159741842.db2.gz CXPRSPLNXQNPCV-UHFFFAOYSA-N 1 3 315.461 2.299 20 0 DEADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1C ZINC001403634755 1163065497 /nfs/dbraw/zinc/06/54/97/1163065497.db2.gz MYVOZPSWNDSBFA-OAHLLOKOSA-N 1 3 323.456 2.412 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001376955679 1159855366 /nfs/dbraw/zinc/85/53/66/1159855366.db2.gz WBYTZLDKKSEFNN-HNNXBMFYSA-N 1 3 309.498 2.203 20 0 DEADHO CN(CCC[N@H+](C)CC1CC(C)(C)C1)C(=O)[C@H]1CCCN1C ZINC001376966250 1159858705 /nfs/dbraw/zinc/85/87/05/1159858705.db2.gz MXZMFQWKUJSRJR-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CN(CCC[N@@H+](C)CC1CC(C)(C)C1)C(=O)[C@H]1CCCN1C ZINC001376966250 1159858706 /nfs/dbraw/zinc/85/87/06/1159858706.db2.gz MXZMFQWKUJSRJR-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([N@H+](C)CC2CCCC2)C1 ZINC001376997840 1159870206 /nfs/dbraw/zinc/87/02/06/1159870206.db2.gz PVUVQZYCIQXTFG-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([N@@H+](C)CC2CCCC2)C1 ZINC001376997840 1159870207 /nfs/dbraw/zinc/87/02/07/1159870207.db2.gz PVUVQZYCIQXTFG-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CN(C[C@@H]1CCN1CCCC1CCC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001396996034 1159893605 /nfs/dbraw/zinc/89/36/05/1159893605.db2.gz JLDAKFDBWIVFBO-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001377100048 1159899168 /nfs/dbraw/zinc/89/91/68/1159899168.db2.gz MBNMTFVKRQCVTG-ZBFHGGJFSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+]CC1CCCCC1 ZINC001377102282 1159899842 /nfs/dbraw/zinc/89/98/42/1159899842.db2.gz XGKUDZQAZXLIBG-CYBMUJFWSA-N 1 3 306.454 2.325 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C/C=C/Cl)C1 ZINC001397119474 1160000811 /nfs/dbraw/zinc/00/08/11/1160000811.db2.gz HPORNLWPFSWLJS-KDKXTZIQSA-N 1 3 313.873 2.096 20 0 DEADHO Cc1ccc(CC[N@@H+](C)CCNC(=O)CN(C)C2CCC2)cc1 ZINC001377170883 1160008931 /nfs/dbraw/zinc/00/89/31/1160008931.db2.gz NGCICFQDEKQDHX-UHFFFAOYSA-N 1 3 317.477 2.070 20 0 DEADHO Cc1ccc(CC[N@H+](C)CCNC(=O)CN(C)C2CCC2)cc1 ZINC001377170883 1160008938 /nfs/dbraw/zinc/00/89/38/1160008938.db2.gz NGCICFQDEKQDHX-UHFFFAOYSA-N 1 3 317.477 2.070 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2CC[C@@H]([NH2+]C/C=C/Cl)C2)CCC1 ZINC001397159558 1160024126 /nfs/dbraw/zinc/02/41/26/1160024126.db2.gz PCJBWUSXXXJVKJ-JNGJTHOISA-N 1 3 313.873 2.098 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC[N@@H+]1CCC1CC1 ZINC001397184766 1160041097 /nfs/dbraw/zinc/04/10/97/1160041097.db2.gz ONUICVOLCFJEOO-BBWFWOEESA-N 1 3 309.498 2.342 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC[N@H+]1CCC1CC1 ZINC001397184766 1160041104 /nfs/dbraw/zinc/04/11/04/1160041104.db2.gz ONUICVOLCFJEOO-BBWFWOEESA-N 1 3 309.498 2.342 20 0 DEADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)cc1 ZINC001397471832 1160271408 /nfs/dbraw/zinc/27/14/08/1160271408.db2.gz MYANRIISINYMDV-SJLPKXTDSA-N 1 3 317.477 2.272 20 0 DEADHO CC(C)C[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001397628095 1160370956 /nfs/dbraw/zinc/37/09/56/1160370956.db2.gz JAEDMULTBLILCS-XLAORIBOSA-N 1 3 323.525 2.495 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC2)C1)N1CCCCCC1 ZINC001397677391 1160394825 /nfs/dbraw/zinc/39/48/25/1160394825.db2.gz QISQEIUBOIIHHL-XIRDDKMYSA-N 1 3 307.482 2.145 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001397688246 1160400844 /nfs/dbraw/zinc/40/08/44/1160400844.db2.gz POUJKECRLWBUTC-FVQBIDKESA-N 1 3 309.498 2.247 20 0 DEADHO CC(C)CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001377602022 1160578923 /nfs/dbraw/zinc/57/89/23/1160578923.db2.gz NRZOPOHFGSHQAZ-NVXWUHKLSA-N 1 3 309.498 2.343 20 0 DEADHO C[N@H+](CCC(C)(C)C)C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001377660703 1160687444 /nfs/dbraw/zinc/68/74/44/1160687444.db2.gz JUFPZVMOCKRXAG-HNNXBMFYSA-N 1 3 306.454 2.311 20 0 DEADHO C[N@@H+](CCC(C)(C)C)C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001377660703 1160687453 /nfs/dbraw/zinc/68/74/53/1160687453.db2.gz JUFPZVMOCKRXAG-HNNXBMFYSA-N 1 3 306.454 2.311 20 0 DEADHO CC(C)[C@H](C(=O)NC1CC(C[NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001377736757 1160800765 /nfs/dbraw/zinc/80/07/65/1160800765.db2.gz QZIHEELLPTWZEP-BDVYOWHSSA-N 1 3 323.525 2.493 20 0 DEADHO CC[C@H](C(=O)N1CCC(CN(C)CCF)CC1)[NH+](CC)CC ZINC001377795406 1160828802 /nfs/dbraw/zinc/82/88/02/1160828802.db2.gz HHCDPDGHLZZLBK-MRXNPFEDSA-N 1 3 315.477 2.247 20 0 DEADHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001398297819 1160849074 /nfs/dbraw/zinc/84/90/74/1160849074.db2.gz IODNOWKEPYIIKP-MSOLQXFVSA-N 1 3 315.461 2.252 20 0 DEADHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001398297819 1160849078 /nfs/dbraw/zinc/84/90/78/1160849078.db2.gz IODNOWKEPYIIKP-MSOLQXFVSA-N 1 3 315.461 2.252 20 0 DEADHO C[C@@H](NCc1ccns1)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001377918742 1160871063 /nfs/dbraw/zinc/87/10/63/1160871063.db2.gz VLOVFIJVWWHCTA-KGLIPLIRSA-N 1 3 324.494 2.002 20 0 DEADHO CC[C@H](C(=O)NC[C@H]([NH2+]CC1CC(C)(C)C1)C1CC1)N(C)C ZINC001398444479 1160892489 /nfs/dbraw/zinc/89/24/89/1160892489.db2.gz HEYGNWDMZIOTQK-JKSUJKDBSA-N 1 3 309.498 2.247 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001398534061 1160953239 /nfs/dbraw/zinc/95/32/39/1160953239.db2.gz DXHZANDDSGFBNC-BZSNNMDCSA-N 1 3 317.477 2.318 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2CC)C1 ZINC001398666470 1161042557 /nfs/dbraw/zinc/04/25/57/1161042557.db2.gz AWXQTYYGHSVAMZ-HDICACEKSA-N 1 3 317.477 2.328 20 0 DEADHO C[C@H]1CC[N@H+](CC(=O)NCCN(C)C/C=C\c2ccccc2)C1 ZINC001399576022 1161462996 /nfs/dbraw/zinc/46/29/96/1161462996.db2.gz GCPOKNDHGSDBPD-SKHCZCESSA-N 1 3 315.461 2.090 20 0 DEADHO C[C@H]1CC[N@@H+](CC(=O)NCCN(C)C/C=C\c2ccccc2)C1 ZINC001399576022 1161463001 /nfs/dbraw/zinc/46/30/01/1161463001.db2.gz GCPOKNDHGSDBPD-SKHCZCESSA-N 1 3 315.461 2.090 20 0 DEADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)[C@H](C)c1cccc(F)c1 ZINC001399831559 1161581674 /nfs/dbraw/zinc/58/16/74/1161581674.db2.gz VFLQPZOGEHIDFT-ZBFHGGJFSA-N 1 3 321.440 2.277 20 0 DEADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@H](C)c1cccc(F)c1 ZINC001399831559 1161581679 /nfs/dbraw/zinc/58/16/79/1161581679.db2.gz VFLQPZOGEHIDFT-ZBFHGGJFSA-N 1 3 321.440 2.277 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CC[N@H+](CC2CCC2)C1)N1CCCC1 ZINC001399918019 1161607237 /nfs/dbraw/zinc/60/72/37/1161607237.db2.gz KXQHZAUCXYNFKJ-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CC[N@@H+](CC2CCC2)C1)N1CCCC1 ZINC001399918019 1161607238 /nfs/dbraw/zinc/60/72/38/1161607238.db2.gz KXQHZAUCXYNFKJ-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)[C@@H](C(=O)NCCN(Cc1ccccc1)C1CC1)[NH+](C)C ZINC001400036486 1161638678 /nfs/dbraw/zinc/63/86/78/1161638678.db2.gz AKPOEPIVLSTZGK-SFHVURJKSA-N 1 3 317.477 2.353 20 0 DEADHO CCC[NH2+][C@H](CNC(=O)CN1CC[C@@H](C)C1)c1ccccc1 ZINC001400093825 1161651712 /nfs/dbraw/zinc/65/17/12/1161651712.db2.gz CESXKMOWBMPZMP-NVXWUHKLSA-N 1 3 303.450 2.185 20 0 DEADHO CC[C@@H](C(=O)NCC1C[NH+]([C@H]2CCc3ccccc32)C1)N(C)C ZINC001400545471 1161767675 /nfs/dbraw/zinc/76/76/75/1161767675.db2.gz SDXXFCIJEKYJSG-ROUUACIJSA-N 1 3 315.461 2.062 20 0 DEADHO C[C@@H](C[NH2+]Cc1ccc(CF)cc1)N(C)C(=O)CN1CCCC1 ZINC001401254510 1161906684 /nfs/dbraw/zinc/90/66/84/1161906684.db2.gz DWKSINVLHXGLTQ-HNNXBMFYSA-N 1 3 321.440 2.188 20 0 DEADHO C[N@H+](CCC1CCN(C(=O)Cc2c[nH]cn2)CC1)CC1CCC1 ZINC001401303378 1161921060 /nfs/dbraw/zinc/92/10/60/1161921060.db2.gz CDMVRJLTKZEFPT-UHFFFAOYSA-N 1 3 318.465 2.313 20 0 DEADHO C[N@@H+](CCC1CCN(C(=O)Cc2c[nH]cn2)CC1)CC1CCC1 ZINC001401303378 1161921061 /nfs/dbraw/zinc/92/10/61/1161921061.db2.gz CDMVRJLTKZEFPT-UHFFFAOYSA-N 1 3 318.465 2.313 20 0 DEADHO CN(CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC001401368289 1161955354 /nfs/dbraw/zinc/95/53/54/1161955354.db2.gz VEXDTGAUOVGDAV-SFHVURJKSA-N 1 3 317.477 2.451 20 0 DEADHO CN(CCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC001401368289 1161955362 /nfs/dbraw/zinc/95/53/62/1161955362.db2.gz VEXDTGAUOVGDAV-SFHVURJKSA-N 1 3 317.477 2.451 20 0 DEADHO C[C@@H](c1ccccc1)N(C)CCN(C)C(=O)CCC[NH+](C)C ZINC001401387502 1161967670 /nfs/dbraw/zinc/96/76/70/1161967670.db2.gz YUOLCYPBXWCGMD-INIZCTEOSA-N 1 3 305.466 2.480 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001402013253 1162216624 /nfs/dbraw/zinc/21/66/24/1162216624.db2.gz JZUAFWPMWRJXBK-SFHVURJKSA-N 1 3 307.482 2.053 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001402013253 1162216627 /nfs/dbraw/zinc/21/66/27/1162216627.db2.gz JZUAFWPMWRJXBK-SFHVURJKSA-N 1 3 307.482 2.053 20 0 DEADHO CCCC[NH+]1CCC(C)(CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001402200892 1162284629 /nfs/dbraw/zinc/28/46/29/1162284629.db2.gz GPOMSDKXBGYFRI-UHFFFAOYSA-N 1 3 306.454 2.279 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@@H]1CC[N@H+](C/C=C/Cl)C1)N(C)C ZINC001404511340 1163690891 /nfs/dbraw/zinc/69/08/91/1163690891.db2.gz ITXSFYLWNVBKLP-VZLFFANISA-N 1 3 315.889 2.153 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@@H]1CC[N@@H+](C/C=C/Cl)C1)N(C)C ZINC001404511340 1163690895 /nfs/dbraw/zinc/69/08/95/1163690895.db2.gz ITXSFYLWNVBKLP-VZLFFANISA-N 1 3 315.889 2.153 20 0 DEADHO CCN(C(=O)CN1CC[C@@H](C)C1)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001405173982 1163990081 /nfs/dbraw/zinc/99/00/81/1163990081.db2.gz BUPSQNFTZRBNAC-NVXWUHKLSA-N 1 3 307.482 2.051 20 0 DEADHO CCN(C(=O)CN1CC[C@@H](C)C1)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001405173982 1163990086 /nfs/dbraw/zinc/99/00/86/1163990086.db2.gz BUPSQNFTZRBNAC-NVXWUHKLSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1csc(C)c1)N(C)C ZINC001405734255 1164209378 /nfs/dbraw/zinc/20/93/78/1164209378.db2.gz ORKRAPHGKFNJDA-DOMZBBRYSA-N 1 3 311.495 2.239 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCN2C)cc1 ZINC001405793130 1164241808 /nfs/dbraw/zinc/24/18/08/1164241808.db2.gz JWBMJFSKSGVINU-RDJZCZTQSA-N 1 3 303.450 2.026 20 0 DEADHO Cc1ccc(F)c(CNC[C@H](C)N(C)C(=O)CCC[NH+](C)C)c1 ZINC001405875039 1164304552 /nfs/dbraw/zinc/30/45/52/1164304552.db2.gz TYZBOYOKAOWPAF-HNNXBMFYSA-N 1 3 323.456 2.412 20 0 DEADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(F)cc1C ZINC001405904435 1164324470 /nfs/dbraw/zinc/32/44/70/1164324470.db2.gz RYLIRIBUEVWMJA-OAHLLOKOSA-N 1 3 323.456 2.412 20 0 DEADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001405918808 1164335196 /nfs/dbraw/zinc/33/51/96/1164335196.db2.gz ORHNFGARZCBING-UONOGXRCSA-N 1 3 319.440 2.199 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@H](C)c1cccc(C)c1)N(C)C ZINC001406378408 1164560419 /nfs/dbraw/zinc/56/04/19/1164560419.db2.gz KAWLRQJWILLJFB-BFYDXBDKSA-N 1 3 305.466 2.491 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CC1CCC(C)CC1)N(C)C ZINC001406397785 1164567063 /nfs/dbraw/zinc/56/70/63/1164567063.db2.gz VPYKTGOATALKBN-MNAZLIDISA-N 1 3 311.514 2.493 20 0 DEADHO CCc1ccc(C[NH2+]C[C@@H](C)NC(=O)CN2CC[C@H](C)C2)cc1 ZINC001406404608 1164571858 /nfs/dbraw/zinc/57/18/58/1164571858.db2.gz ZZXLKOBGQQQYOJ-JKSUJKDBSA-N 1 3 317.477 2.185 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001406416197 1164580244 /nfs/dbraw/zinc/58/02/44/1164580244.db2.gz IJUXOVDWQSEXDF-CJNGLKHVSA-N 1 3 309.429 2.069 20 0 DEADHO CCc1ccc(C[NH2+]C[C@H](C)NC(=O)CN(C)C2CCC2)cc1 ZINC001406480702 1164631941 /nfs/dbraw/zinc/63/19/41/1164631941.db2.gz MCKGUTPKMWZJAA-HNNXBMFYSA-N 1 3 317.477 2.328 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001406732446 1164810167 /nfs/dbraw/zinc/81/01/67/1164810167.db2.gz YKTKDELQQPNNRZ-MAUKXSAKSA-N 1 3 317.477 2.451 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001406732446 1164810171 /nfs/dbraw/zinc/81/01/71/1164810171.db2.gz YKTKDELQQPNNRZ-MAUKXSAKSA-N 1 3 317.477 2.451 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@@]1(C)CCCN(Cc2ccsc2)C1 ZINC001407297530 1165094504 /nfs/dbraw/zinc/09/45/04/1165094504.db2.gz LPBSAESYNVDAIZ-QGZVFWFLSA-N 1 3 323.506 2.418 20 0 DEADHO CCCN1Cc2ccc(CNC(=O)CC[N@H+](C)CC)cc2C1 ZINC001408061711 1165457775 /nfs/dbraw/zinc/45/77/75/1165457775.db2.gz XICUXUFACXVFKB-UHFFFAOYSA-N 1 3 303.450 2.370 20 0 DEADHO CCCN1Cc2ccc(CNC(=O)CC[N@@H+](C)CC)cc2C1 ZINC001408061711 1165457777 /nfs/dbraw/zinc/45/77/77/1165457777.db2.gz XICUXUFACXVFKB-UHFFFAOYSA-N 1 3 303.450 2.370 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]2C[N@@H+](C)CCC2CC2)C1 ZINC001408353159 1165608043 /nfs/dbraw/zinc/60/80/43/1165608043.db2.gz IIQTWFPIINLNBB-WBVHZDCISA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]2C[N@H+](C)CCC2CC2)C1 ZINC001408353159 1165608040 /nfs/dbraw/zinc/60/80/40/1165608040.db2.gz IIQTWFPIINLNBB-WBVHZDCISA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H](CC[NH+](C)C)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC001417643839 1167104784 /nfs/dbraw/zinc/10/47/84/1167104784.db2.gz IVNMFJDQVITHEB-CVEARBPZSA-N 1 3 305.466 2.211 20 0 DEADHO C[C@H](F)CC[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001417841039 1167249248 /nfs/dbraw/zinc/24/92/48/1167249248.db2.gz QCCGXCCDILHEMX-UONOGXRCSA-N 1 3 310.417 2.061 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CC1CCC1 ZINC001417892979 1167287771 /nfs/dbraw/zinc/28/77/71/1167287771.db2.gz RWJARQJVPNVMDS-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)NC1CCC([NH2+]Cc2cncs2)CC1)N(C)C ZINC001418189318 1167471813 /nfs/dbraw/zinc/47/18/13/1167471813.db2.gz BVRZZMXXMVEZDU-PIMMBPRGSA-N 1 3 324.494 2.000 20 0 DEADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001418232327 1167507038 /nfs/dbraw/zinc/50/70/38/1167507038.db2.gz DEURKTCZIAUHHE-KBPBESRZSA-N 1 3 321.440 2.465 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CNC(=O)CN(C)C2CCC2)cc1 ZINC001418237022 1167510725 /nfs/dbraw/zinc/51/07/25/1167510725.db2.gz RGWODXONJWHWMR-HNNXBMFYSA-N 1 3 303.450 2.074 20 0 DEADHO C[C@@H](c1cccc(Cl)c1)N(C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001418519170 1167755761 /nfs/dbraw/zinc/75/57/61/1167755761.db2.gz JASFUOLRJSVKJL-ZFWWWQNUSA-N 1 3 323.868 2.401 20 0 DEADHO C[C@@H](c1cccc(Cl)c1)N(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001418519170 1167755772 /nfs/dbraw/zinc/75/57/72/1167755772.db2.gz JASFUOLRJSVKJL-ZFWWWQNUSA-N 1 3 323.868 2.401 20 0 DEADHO CC[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001418619383 1167847347 /nfs/dbraw/zinc/84/73/47/1167847347.db2.gz TUBAGRZEVFCKRK-MWDXBVQZSA-N 1 3 309.498 2.390 20 0 DEADHO CCC[N@H+](CCNC(=O)[C@@H]1CCCN1C)Cc1cccc(F)c1 ZINC001418709756 1167901816 /nfs/dbraw/zinc/90/18/16/1167901816.db2.gz HXNHDEIVXQDOAJ-KRWDZBQOSA-N 1 3 321.440 2.248 20 0 DEADHO CCC[N@@H+](CCNC(=O)[C@@H]1CCCN1C)Cc1cccc(F)c1 ZINC001418709756 1167901823 /nfs/dbraw/zinc/90/18/23/1167901823.db2.gz HXNHDEIVXQDOAJ-KRWDZBQOSA-N 1 3 321.440 2.248 20 0 DEADHO Cc1cc(C)cc(CN2CCC[C@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001419093776 1168197453 /nfs/dbraw/zinc/19/74/53/1168197453.db2.gz PCHUSVGTTHSWJS-SFHVURJKSA-N 1 3 317.477 2.336 20 0 DEADHO CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]CC1CC(F)(F)C1 ZINC001419265331 1168358978 /nfs/dbraw/zinc/35/89/78/1168358978.db2.gz VWUWNEMVPDAMEA-KGLIPLIRSA-N 1 3 319.440 2.102 20 0 DEADHO CCCN(C(=O)[C@H](F)CN(CC)CC)C1CC[NH+](CC)CC1 ZINC001419285941 1168374225 /nfs/dbraw/zinc/37/42/25/1168374225.db2.gz QCLXJQMQGAYJEO-MRXNPFEDSA-N 1 3 315.477 2.389 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@@H]([NH2+]Cc2ccsc2)C2CC2)C1 ZINC001419288736 1168376816 /nfs/dbraw/zinc/37/68/16/1168376816.db2.gz DJTRFSXGYYRPNX-XJKSGUPXSA-N 1 3 321.490 2.074 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](C[N@H+](C)CCCF)C1)N(C)C ZINC001419336202 1168409479 /nfs/dbraw/zinc/40/94/79/1168409479.db2.gz CLNWJIVNMBUVJK-HOTGVXAUSA-N 1 3 315.477 2.103 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CCCF)C1)N(C)C ZINC001419336202 1168409484 /nfs/dbraw/zinc/40/94/84/1168409484.db2.gz CLNWJIVNMBUVJK-HOTGVXAUSA-N 1 3 315.477 2.103 20 0 DEADHO CN(CC(=O)NC1CCC([NH2+]CC2CC2)CC1)CC(C)(C)C ZINC001419686756 1168802568 /nfs/dbraw/zinc/80/25/68/1168802568.db2.gz VFDWFTXTTOYKDY-UHFFFAOYSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H](C[NH2+]CC1CCC(C)CC1)N(C)C(=O)Cc1c[nH]cn1 ZINC001419718520 1168818433 /nfs/dbraw/zinc/81/84/33/1168818433.db2.gz BAPGFBJUWWECHI-SHARSMKWSA-N 1 3 306.454 2.215 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001419756704 1168834515 /nfs/dbraw/zinc/83/45/15/1168834515.db2.gz NBOFZPXPBIFKSE-WMLDXEAASA-N 1 3 321.440 2.294 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CC2CCC2)CCC1 ZINC001420087090 1169152910 /nfs/dbraw/zinc/15/29/10/1169152910.db2.gz MADJWQGCAPJVPW-HZPDHXFCSA-N 1 3 307.482 2.145 20 0 DEADHO CCN(CC[NH2+][C@@H](C)c1ccc(F)cc1)C(=O)[C@@H]1CCCN1C ZINC001420242762 1169273871 /nfs/dbraw/zinc/27/38/71/1169273871.db2.gz SIJOLPOWVUVYEV-YOEHRIQHSA-N 1 3 321.440 2.419 20 0 DEADHO CCN(CC[NH2+][C@@H](C)c1ccc(F)cc1)C(=O)[C@H]1CCCN1C ZINC001420242758 1169274265 /nfs/dbraw/zinc/27/42/65/1169274265.db2.gz SIJOLPOWVUVYEV-WMLDXEAASA-N 1 3 321.440 2.419 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](C)CC1CCC2(CC2)CC1)N(C)C ZINC001420297085 1169332597 /nfs/dbraw/zinc/33/25/97/1169332597.db2.gz FCIZRVKAKVWHSR-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](C)CC1CCC2(CC2)CC1)N(C)C ZINC001420297085 1169332604 /nfs/dbraw/zinc/33/26/04/1169332604.db2.gz FCIZRVKAKVWHSR-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccccc1)N(C)C ZINC001420299366 1169335057 /nfs/dbraw/zinc/33/50/57/1169335057.db2.gz IPFAVPMEBDEKRE-VYDXJSESSA-N 1 3 305.466 2.428 20 0 DEADHO CCC[N@@H+]1CC[C@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001420544377 1169761111 /nfs/dbraw/zinc/76/11/11/1169761111.db2.gz MTPSIJXHXQCMJX-PBHICJAKSA-N 1 3 313.461 2.047 20 0 DEADHO CCC[N@H+]1CC[C@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001420544377 1169761121 /nfs/dbraw/zinc/76/11/21/1169761121.db2.gz MTPSIJXHXQCMJX-PBHICJAKSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CC1CC2(CCC2)C1)N(C)C ZINC001420630592 1169840687 /nfs/dbraw/zinc/84/06/87/1169840687.db2.gz GVMNRWHBBMXANH-HOCLYGCPSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CC1CC2(CCC2)C1)N(C)C ZINC001420630592 1169840691 /nfs/dbraw/zinc/84/06/91/1169840691.db2.gz GVMNRWHBBMXANH-HOCLYGCPSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[N@H+](Cc2ccccc2)C2CC2)C1 ZINC001420683083 1169867078 /nfs/dbraw/zinc/86/70/78/1169867078.db2.gz OXJRQKTZXUAZDG-MRXNPFEDSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[N@@H+](Cc2ccccc2)C2CC2)C1 ZINC001420683083 1169867079 /nfs/dbraw/zinc/86/70/79/1169867079.db2.gz OXJRQKTZXUAZDG-MRXNPFEDSA-N 1 3 315.461 2.109 20 0 DEADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@H+](Cc2ccsc2)C1)N(C)C ZINC001420864382 1171297462 /nfs/dbraw/zinc/29/74/62/1171297462.db2.gz ARCGCQFQGNUBPM-HOCLYGCPSA-N 1 3 323.506 2.417 20 0 DEADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@@H+](Cc2ccsc2)C1)N(C)C ZINC001420864382 1171297472 /nfs/dbraw/zinc/29/74/72/1171297472.db2.gz ARCGCQFQGNUBPM-HOCLYGCPSA-N 1 3 323.506 2.417 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCC2CC2)C1 ZINC001420942846 1171369049 /nfs/dbraw/zinc/36/90/49/1171369049.db2.gz BCNOKDXBPFAPOO-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCC2CC2)C1 ZINC001420942846 1171369055 /nfs/dbraw/zinc/36/90/55/1171369055.db2.gz BCNOKDXBPFAPOO-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+](C)CCC(=O)NCC1(N[C@H](C)c2ccc(F)cc2)CC1 ZINC001420990231 1171406567 /nfs/dbraw/zinc/40/65/67/1171406567.db2.gz FGACHFGEEXFGCN-CQSZACIVSA-N 1 3 321.440 2.467 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCC1(N[C@H](C)c2ccc(F)cc2)CC1 ZINC001420990231 1171406581 /nfs/dbraw/zinc/40/65/81/1171406581.db2.gz FGACHFGEEXFGCN-CQSZACIVSA-N 1 3 321.440 2.467 20 0 DEADHO CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001421295465 1171685249 /nfs/dbraw/zinc/68/52/49/1171685249.db2.gz GFQSDTFWNSBILF-WMZOPIPTSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001421295465 1171685261 /nfs/dbraw/zinc/68/52/61/1171685261.db2.gz GFQSDTFWNSBILF-WMZOPIPTSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCc1ccccc1F ZINC001421466449 1171811770 /nfs/dbraw/zinc/81/17/70/1171811770.db2.gz CRUUEQTVFULOBQ-ZBFHGGJFSA-N 1 3 321.440 2.152 20 0 DEADHO CC[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCc1ccccc1F ZINC001421466449 1171811771 /nfs/dbraw/zinc/81/17/71/1171811771.db2.gz CRUUEQTVFULOBQ-ZBFHGGJFSA-N 1 3 321.440 2.152 20 0 DEADHO CC[C@@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1ccccc1F ZINC001421473495 1171813959 /nfs/dbraw/zinc/81/39/59/1171813959.db2.gz SQENGLXEMJYWMQ-HOCLYGCPSA-N 1 3 309.429 2.150 20 0 DEADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCc1cc(C)ccc1F ZINC001421483322 1171817544 /nfs/dbraw/zinc/81/75/44/1171817544.db2.gz AOZQIEIZXIKMBN-GOEBONIOSA-N 1 3 321.440 2.070 20 0 DEADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1cc(C)ccc1F ZINC001421483322 1171817546 /nfs/dbraw/zinc/81/75/46/1171817546.db2.gz AOZQIEIZXIKMBN-GOEBONIOSA-N 1 3 321.440 2.070 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(C)c1 ZINC001421665372 1171889640 /nfs/dbraw/zinc/88/96/40/1171889640.db2.gz CVGMVAUQJGWWPP-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001421667099 1171890627 /nfs/dbraw/zinc/89/06/27/1171890627.db2.gz QVMWFQLVHPIHDN-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H](C[NH2+]CC1CC2(CCC2)C1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001421900544 1172106154 /nfs/dbraw/zinc/10/61/54/1172106154.db2.gz CYVOIPPZRUQZPB-OAHLLOKOSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](C[NH2+]Cc1ccsc1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001421938316 1172155665 /nfs/dbraw/zinc/15/56/65/1172155665.db2.gz FXTRGOOJKJNLFF-KBPBESRZSA-N 1 3 309.479 2.026 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001422584143 1172729418 /nfs/dbraw/zinc/72/94/18/1172729418.db2.gz BZOLZXSTIOBLFN-KGLIPLIRSA-N 1 3 309.429 2.323 20 0 DEADHO C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001422661042 1172797474 /nfs/dbraw/zinc/79/74/74/1172797474.db2.gz ONLGWIARIWMXBC-KBPBESRZSA-N 1 3 321.440 2.465 20 0 DEADHO C[C@@H]1C[C@H](NCCF)CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001423337440 1173261404 /nfs/dbraw/zinc/26/14/04/1173261404.db2.gz WBAILBLWMBOLAM-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC2CCCC2)C[C@H]1C ZINC001423454975 1173359397 /nfs/dbraw/zinc/35/93/97/1173359397.db2.gz ROPZKEJXIGJALF-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@@H+](CC[C@H](C)F)CC1 ZINC001424275975 1173732670 /nfs/dbraw/zinc/73/26/70/1173732670.db2.gz GTZMISIMANAMEF-GJZGRUSLSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@H+](CC[C@H](C)F)CC1 ZINC001424275975 1173732675 /nfs/dbraw/zinc/73/26/75/1173732675.db2.gz GTZMISIMANAMEF-GJZGRUSLSA-N 1 3 301.450 2.045 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]CC1CC1)C1CC1 ZINC001425482350 1174336205 /nfs/dbraw/zinc/33/62/05/1174336205.db2.gz DQDHEWORDFSLCV-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1ccc(F)cc1C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCN1C ZINC001425554837 1174369669 /nfs/dbraw/zinc/36/96/69/1174369669.db2.gz XFOLINFPKOTUHJ-PBHICJAKSA-N 1 3 321.440 2.165 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001425642307 1174428766 /nfs/dbraw/zinc/42/87/66/1174428766.db2.gz UJWPFTNFOYTAGJ-WMLDXEAASA-N 1 3 323.456 2.348 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)[C@H]1C ZINC001425880038 1174494156 /nfs/dbraw/zinc/49/41/56/1174494156.db2.gz BFGSJOMDYBNGNF-WBVHZDCISA-N 1 3 321.509 2.486 20 0 DEADHO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001434536656 1178801065 /nfs/dbraw/zinc/80/10/65/1178801065.db2.gz NIFHXDKLDUYJRW-DQPJANOFSA-N 1 3 310.482 2.421 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC=C(Cl)Cl)N(C)C ZINC001437377771 1179772415 /nfs/dbraw/zinc/77/24/15/1179772415.db2.gz FPGFFPRWFIGIRJ-YPMHNXCESA-N 1 3 324.296 2.376 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001437955484 1180107939 /nfs/dbraw/zinc/10/79/39/1180107939.db2.gz CWONCTURIJMXJM-CGZBRXJRSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@@H+](CC2CC(C)C2)C1 ZINC001437955484 1180107945 /nfs/dbraw/zinc/10/79/45/1180107945.db2.gz CWONCTURIJMXJM-CGZBRXJRSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)CC[N@H+](C)CCCC2CCC2)C1 ZINC001438920335 1180850704 /nfs/dbraw/zinc/85/07/04/1180850704.db2.gz UWZYKOUPFZXQKO-MRXNPFEDSA-N 1 3 309.498 2.299 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)CC[N@@H+](C)CCCC2CCC2)C1 ZINC001438920335 1180850705 /nfs/dbraw/zinc/85/07/05/1180850705.db2.gz UWZYKOUPFZXQKO-MRXNPFEDSA-N 1 3 309.498 2.299 20 0 DEADHO CN(C)C1(C(=O)NC[C@]2(C)CCC[N@H+](CC3CCC3)C2)CCC1 ZINC001439936175 1181316208 /nfs/dbraw/zinc/31/62/08/1181316208.db2.gz WNMQQEMIZFEQIK-SFHVURJKSA-N 1 3 321.509 2.489 20 0 DEADHO CN(C)C1(C(=O)NC[C@]2(C)CCC[N@@H+](CC3CCC3)C2)CCC1 ZINC001439936175 1181316215 /nfs/dbraw/zinc/31/62/15/1181316215.db2.gz WNMQQEMIZFEQIK-SFHVURJKSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H](NCCF)c1ccc(CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001440224008 1181388776 /nfs/dbraw/zinc/38/87/76/1181388776.db2.gz PFTAAGGHOVYAGK-AWEZNQCLSA-N 1 3 321.440 2.265 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001440997824 1181820035 /nfs/dbraw/zinc/82/00/35/1181820035.db2.gz KGEUPIWLOJFYPH-CRAIPNDOSA-N 1 3 317.477 2.452 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001440997824 1181820038 /nfs/dbraw/zinc/82/00/38/1181820038.db2.gz KGEUPIWLOJFYPH-CRAIPNDOSA-N 1 3 317.477 2.452 20 0 DEADHO NCC1(C[NH2+][C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)CC1 ZINC001580243587 1181895870 /nfs/dbraw/zinc/89/58/70/1181895870.db2.gz LGYDVLOWHIWKJT-IACUBPJLSA-N 1 3 307.235 2.416 20 0 DEADHO [NH3+]CC1(CN[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)CC1 ZINC001580243587 1181895874 /nfs/dbraw/zinc/89/58/74/1181895874.db2.gz LGYDVLOWHIWKJT-IACUBPJLSA-N 1 3 307.235 2.416 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@@H]([NH2+]CC2CCCC2)C2CC2)C1 ZINC001441225970 1181902978 /nfs/dbraw/zinc/90/29/78/1181902978.db2.gz MVWLUTMUDWKLLL-RHSMWYFYSA-N 1 3 307.482 2.003 20 0 DEADHO CC(C)C[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001441388323 1181971009 /nfs/dbraw/zinc/97/10/09/1181971009.db2.gz ZVGHRJTWZQGVKI-JYJNAYRXSA-N 1 3 309.498 2.390 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001441410631 1181981258 /nfs/dbraw/zinc/98/12/58/1181981258.db2.gz DXHZANDDSGFBNC-KZNAEPCWSA-N 1 3 317.477 2.318 20 0 DEADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccsc1 ZINC001441540595 1182049963 /nfs/dbraw/zinc/04/99/63/1182049963.db2.gz RJSSTVINHXKOEJ-ZDUSSCGKSA-N 1 3 309.479 2.169 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CN(C)C(C)C)cc1F ZINC001441658483 1182117358 /nfs/dbraw/zinc/11/73/58/1182117358.db2.gz NRXVQTLVQFAFGN-OAHLLOKOSA-N 1 3 323.456 2.411 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccns2)C1 ZINC001442198510 1182362434 /nfs/dbraw/zinc/36/24/34/1182362434.db2.gz GLPSNMNAQPZWQL-UONOGXRCSA-N 1 3 324.494 2.002 20 0 DEADHO C[C@H](CC[NH+](C)C)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC001442350495 1182431607 /nfs/dbraw/zinc/43/16/07/1182431607.db2.gz GFHQBLDUOZELMD-OAHLLOKOSA-N 1 3 323.456 2.304 20 0 DEADHO C[C@@H]([NH2+]CCC1CC1)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001443124570 1182854621 /nfs/dbraw/zinc/85/46/21/1182854621.db2.gz PVIIJHZCYCVNEX-JKSUJKDBSA-N 1 3 321.509 2.345 20 0 DEADHO CCC[N@H+](C)CCC(=O)NCC1CN(Cc2ccccc2C)C1 ZINC001443637690 1183065020 /nfs/dbraw/zinc/06/50/20/1183065020.db2.gz YUPRHGIAGFTBDZ-UHFFFAOYSA-N 1 3 317.477 2.275 20 0 DEADHO CCC[N@@H+](C)CCC(=O)NCC1CN(Cc2ccccc2C)C1 ZINC001443637690 1183065026 /nfs/dbraw/zinc/06/50/26/1183065026.db2.gz YUPRHGIAGFTBDZ-UHFFFAOYSA-N 1 3 317.477 2.275 20 0 DEADHO CN(C(=O)CC[NH+](C)C)[C@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001443815639 1183143372 /nfs/dbraw/zinc/14/33/72/1183143372.db2.gz KMERULVNFIVXPA-KRWDZBQOSA-N 1 3 321.440 2.141 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[N@H+](C)[C@H]1CCc2ccccc21 ZINC001445064643 1183753073 /nfs/dbraw/zinc/75/30/73/1183753073.db2.gz KUPVGISYTAXZTQ-SFHVURJKSA-N 1 3 317.477 2.406 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001445064643 1183753076 /nfs/dbraw/zinc/75/30/76/1183753076.db2.gz KUPVGISYTAXZTQ-SFHVURJKSA-N 1 3 317.477 2.406 20 0 DEADHO C[C@@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccc(F)cc1 ZINC001448729748 1185386546 /nfs/dbraw/zinc/38/65/46/1185386546.db2.gz UQMLNZZTWTVYBI-GJZGRUSLSA-N 1 3 321.440 2.104 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001449011738 1185483489 /nfs/dbraw/zinc/48/34/89/1185483489.db2.gz IBOPPFLJTXXJNZ-AEFFLSMTSA-N 1 3 317.477 2.414 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001449062641 1185513859 /nfs/dbraw/zinc/51/38/59/1185513859.db2.gz NLIIPQVFGRURBP-IAGOWNOFSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]CC=C(Cl)Cl)C1 ZINC001449406774 1185703727 /nfs/dbraw/zinc/70/37/27/1185703727.db2.gz STOZPQLZSARKBK-UHFFFAOYSA-N 1 3 322.280 2.225 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccccc1C ZINC001406418658 1164582646 /nfs/dbraw/zinc/58/26/46/1164582646.db2.gz COHUPOZGVVFAKH-CVEARBPZSA-N 1 3 305.466 2.492 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCc2cccs2)C1)N(C)C ZINC001370545995 1149808502 /nfs/dbraw/zinc/80/85/02/1149808502.db2.gz JATYBTCHRISTRK-IIAWOOMASA-N 1 3 323.506 2.114 20 0 DEADHO COC1(CNCc2ccncc2OCCC[NH+](C)C)CCC1 ZINC001330622568 1149215275 /nfs/dbraw/zinc/21/52/75/1149215275.db2.gz SHEQPVCHGFWIIF-UHFFFAOYSA-N 1 3 307.438 2.071 20 0 DEADHO Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)cs1 ZINC001370716703 1149829037 /nfs/dbraw/zinc/82/90/37/1149829037.db2.gz YHLCBGGXZRSWGE-OWCLPIDISA-N 1 3 323.506 2.380 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](CNCCF)C(C)(C)C)[NH+]1CCCC1 ZINC001332897954 1149918788 /nfs/dbraw/zinc/91/87/88/1149918788.db2.gz FNGPCWPTUWNMIK-CABCVRRESA-N 1 3 315.477 2.197 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]C/C=C/Cl)[C@H](C)C1)N(C)C ZINC001106633777 782820029 /nfs/dbraw/zinc/82/00/29/782820029.db2.gz UTAUBTJPLBZSOC-ZQXYTJGRSA-N 1 3 315.889 2.009 20 0 DEADHO CC[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001106669058 782843939 /nfs/dbraw/zinc/84/39/39/782843939.db2.gz VNNSDEWKEIHWRU-GVDBMIGSSA-N 1 3 323.525 2.449 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC2CCCC2)[C@H](C)C1 ZINC001106778300 782930971 /nfs/dbraw/zinc/93/09/71/782930971.db2.gz FVSMOQXIUDZTGB-NVXWUHKLSA-N 1 3 309.498 2.203 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC2CC(C)(C)C2)[C@H](C)C1 ZINC001106784259 782932807 /nfs/dbraw/zinc/93/28/07/782932807.db2.gz DRQYTQSBCRFKBW-NVXWUHKLSA-N 1 3 323.525 2.449 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC[N@H+](CC2CC2)CC(C)(C)C1 ZINC001089492429 783158151 /nfs/dbraw/zinc/15/81/51/783158151.db2.gz JZEWFZIBBFZOGS-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1 ZINC001089492429 783158154 /nfs/dbraw/zinc/15/81/54/783158154.db2.gz JZEWFZIBBFZOGS-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089491818 783158173 /nfs/dbraw/zinc/15/81/73/783158173.db2.gz VUMFUXGWJYBYFE-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089491818 783158176 /nfs/dbraw/zinc/15/81/76/783158176.db2.gz VUMFUXGWJYBYFE-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CCC(CC)C[N@@H+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001072979775 790352503 /nfs/dbraw/zinc/35/25/03/790352503.db2.gz LESAGHWFTPNVDJ-MRXNPFEDSA-N 1 3 321.509 2.441 20 0 DEADHO CCC(CC)C[N@H+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001072979775 790352514 /nfs/dbraw/zinc/35/25/14/790352514.db2.gz LESAGHWFTPNVDJ-MRXNPFEDSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)CC[NH2+]CC1(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001167232682 776786502 /nfs/dbraw/zinc/78/65/02/776786502.db2.gz MGCLKZQJNHGMOW-MRXNPFEDSA-N 1 3 309.498 2.250 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CCF)CC1 ZINC001167385666 776980047 /nfs/dbraw/zinc/98/00/47/776980047.db2.gz NIZMMRARVXEIAA-HNNXBMFYSA-N 1 3 313.461 2.095 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]CCc2cccs2)C1 ZINC001211286541 777029211 /nfs/dbraw/zinc/02/92/11/777029211.db2.gz VYZOPSGZUMMWSA-HNNXBMFYSA-N 1 3 323.506 2.211 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+]CC[C@@H](C)F ZINC001167628094 777406796 /nfs/dbraw/zinc/40/67/96/777406796.db2.gz WCPKEMFJMIWJQL-HUUCEWRRSA-N 1 3 301.450 2.093 20 0 DEADHO Cc1nc([C@@H]2CCC[NH2+]C2)cc(-n2nc(CN)c3ccccc32)n1 ZINC001167696379 777873782 /nfs/dbraw/zinc/87/37/82/777873782.db2.gz GGPYUWKLHQOYPT-CYBMUJFWSA-N 1 3 322.416 2.050 20 0 DEADHO CCC(CC)C[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104732551 778051844 /nfs/dbraw/zinc/05/18/44/778051844.db2.gz XIUPRJJTPOJUSJ-GDBMZVCRSA-N 1 3 320.481 2.463 20 0 DEADHO CC(C)C[N@@H+]1CCC2(CN(C(=O)CN3[C@H](C)CC[C@H]3C)C2)C1 ZINC001073454516 790665325 /nfs/dbraw/zinc/66/53/25/790665325.db2.gz NUQBRZXHGOFFFX-HZPDHXFCSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)C[N@H+]1CCC2(CN(C(=O)CN3[C@H](C)CC[C@H]3C)C2)C1 ZINC001073454516 790665332 /nfs/dbraw/zinc/66/53/32/790665332.db2.gz NUQBRZXHGOFFFX-HZPDHXFCSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)C[N@@H+]1CCC2(CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001073454517 790665764 /nfs/dbraw/zinc/66/57/64/790665764.db2.gz NUQBRZXHGOFFFX-IYBDPMFKSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)C[N@H+]1CCC2(CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001073454517 790665767 /nfs/dbraw/zinc/66/57/67/790665767.db2.gz NUQBRZXHGOFFFX-IYBDPMFKSA-N 1 3 307.482 2.050 20 0 DEADHO Nc1nc2cc(-n3cc(CC[NH3+])c4cc(O)ccc43)ccc2[nH]1 ZINC001167986227 779166316 /nfs/dbraw/zinc/16/63/16/779166316.db2.gz QDRVUOPNHAUBFH-UHFFFAOYSA-N 1 3 307.357 2.296 20 0 DEADHO COC(=O)[C@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C[C@@H]1C ZINC001168001727 779247516 /nfs/dbraw/zinc/24/75/16/779247516.db2.gz GQKMYCBWEBVJDP-JDACHINLSA-N 1 3 306.450 2.133 20 0 DEADHO COC(=O)[C@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@@H]1C ZINC001168001727 779247522 /nfs/dbraw/zinc/24/75/22/779247522.db2.gz GQKMYCBWEBVJDP-JDACHINLSA-N 1 3 306.450 2.133 20 0 DEADHO COC(=O)[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C[C@@H]1C ZINC001168001727 779247529 /nfs/dbraw/zinc/24/75/29/779247529.db2.gz GQKMYCBWEBVJDP-JDACHINLSA-N 1 3 306.450 2.133 20 0 DEADHO COC(=O)[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C[C@@H]1C ZINC001168001727 779247535 /nfs/dbraw/zinc/24/75/35/779247535.db2.gz GQKMYCBWEBVJDP-JDACHINLSA-N 1 3 306.450 2.133 20 0 DEADHO C[C@H]1CC(n2[n-]c(=O)nc2C[NH3+])C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168018340 779379253 /nfs/dbraw/zinc/37/92/53/779379253.db2.gz CYOJLAGDIRXBFW-STQMWFEESA-N 1 3 315.421 2.057 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@@H]2C1 ZINC001088212700 779775181 /nfs/dbraw/zinc/77/51/81/779775181.db2.gz IOPDDUWWFDLYGN-IKGGRYGDSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@@H]2C1 ZINC001088212700 779775191 /nfs/dbraw/zinc/77/51/91/779775191.db2.gz IOPDDUWWFDLYGN-IKGGRYGDSA-N 1 3 307.482 2.051 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(C)C)CC[C@@H]2C1 ZINC001088212634 779775827 /nfs/dbraw/zinc/77/58/27/779775827.db2.gz FDQCUUUMIFWEKF-SQNIBIBYSA-N 1 3 321.509 2.297 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(C)C)CC[C@@H]2C1 ZINC001088212634 779775831 /nfs/dbraw/zinc/77/58/31/779775831.db2.gz FDQCUUUMIFWEKF-SQNIBIBYSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC([N@H+](C)CCC2CC2)CC1 ZINC000985645648 779982164 /nfs/dbraw/zinc/98/21/64/779982164.db2.gz ATTSIFUHPJNSQP-OAHLLOKOSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC([N@@H+](C)CCC2CC2)CC1 ZINC000985645648 779982170 /nfs/dbraw/zinc/98/21/70/779982170.db2.gz ATTSIFUHPJNSQP-OAHLLOKOSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[C@H](C(=O)N1CCCCC[C@H]([NH2+]CC2CC2)C1)N(C)C ZINC001088376635 780040234 /nfs/dbraw/zinc/04/02/34/780040234.db2.gz MAUWLKHZDMHBNT-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCCCC[C@H]([NH2+]CC3CCC3)C2)C1 ZINC001088381724 780050891 /nfs/dbraw/zinc/05/08/91/780050891.db2.gz KYJIKLFKJMKEAV-WMZOPIPTSA-N 1 3 321.509 2.489 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CCCF)CC1 ZINC001168335422 780851927 /nfs/dbraw/zinc/85/19/27/780851927.db2.gz IGCHEAAIYVKPOR-OAHLLOKOSA-N 1 3 313.461 2.097 20 0 DEADHO C[C@@H]1CN(C/C=C/Cl)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102520335 781049152 /nfs/dbraw/zinc/04/91/52/781049152.db2.gz GKKLPPQYXXVDFP-OCESRQBRSA-N 1 3 315.889 2.155 20 0 DEADHO CCC(CC)C(=O)N1CC[C@@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC001168365656 781056388 /nfs/dbraw/zinc/05/63/88/781056388.db2.gz CIWKCZMFQVQPTK-GOSISDBHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001076083662 781112528 /nfs/dbraw/zinc/11/25/28/781112528.db2.gz MDLKKYAVPVWZCK-KSZLIROESA-N 1 3 319.493 2.050 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001076083662 781112532 /nfs/dbraw/zinc/11/25/32/781112532.db2.gz MDLKKYAVPVWZCK-KSZLIROESA-N 1 3 319.493 2.050 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC(C)C2)C1 ZINC001086102443 784410513 /nfs/dbraw/zinc/41/05/13/784410513.db2.gz XMJVNKJDQNCJRB-YOHUBWIESA-N 1 3 321.509 2.391 20 0 DEADHO CCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(C)C ZINC001114921303 784491589 /nfs/dbraw/zinc/49/15/89/784491589.db2.gz KGHPNGZYPLQDFK-XWTMOSNGSA-N 1 3 321.509 2.486 20 0 DEADHO CCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(C)C ZINC001114921303 784491596 /nfs/dbraw/zinc/49/15/96/784491596.db2.gz KGHPNGZYPLQDFK-XWTMOSNGSA-N 1 3 321.509 2.486 20 0 DEADHO CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000968680927 784537051 /nfs/dbraw/zinc/53/70/51/784537051.db2.gz FHCPWYUUXDHWPH-YOEHRIQHSA-N 1 3 303.450 2.208 20 0 DEADHO CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000968680927 784537058 /nfs/dbraw/zinc/53/70/58/784537058.db2.gz FHCPWYUUXDHWPH-YOEHRIQHSA-N 1 3 303.450 2.208 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CCC1)N(C)C ZINC001074066858 791036782 /nfs/dbraw/zinc/03/67/82/791036782.db2.gz RXOLFFNCNQJYDG-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCC1)N(C)C ZINC001074066858 791036788 /nfs/dbraw/zinc/03/67/88/791036788.db2.gz RXOLFFNCNQJYDG-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1)N(C)C ZINC000969076996 784716713 /nfs/dbraw/zinc/71/67/13/784716713.db2.gz HOBAVPCLUZHIBH-IAOVAPTHSA-N 1 3 321.440 2.417 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001007741587 784987758 /nfs/dbraw/zinc/98/77/58/784987758.db2.gz BZZSMNDOWYEVPU-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001007741587 784987762 /nfs/dbraw/zinc/98/77/62/784987762.db2.gz BZZSMNDOWYEVPU-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO COCC[N@@H+]1CCO[C@@H]2CN(Cc3sccc3C)CC[C@@H]2C1 ZINC001204019708 785004635 /nfs/dbraw/zinc/00/46/35/785004635.db2.gz OJBMRCYWMFYTDT-HZPDHXFCSA-N 1 3 324.490 2.226 20 0 DEADHO COCC[N@H+]1CCO[C@@H]2CN(Cc3sccc3C)CC[C@@H]2C1 ZINC001204019708 785004645 /nfs/dbraw/zinc/00/46/45/785004645.db2.gz OJBMRCYWMFYTDT-HZPDHXFCSA-N 1 3 324.490 2.226 20 0 DEADHO CC(=O)N1CCCCC12CCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169138990 785055834 /nfs/dbraw/zinc/05/58/34/785055834.db2.gz LJODIICJXARLGX-BCDXTJNWSA-N 1 3 319.493 2.479 20 0 DEADHO CC(=O)N1CCCCC12CCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169138990 785055836 /nfs/dbraw/zinc/05/58/36/785055836.db2.gz LJODIICJXARLGX-BCDXTJNWSA-N 1 3 319.493 2.479 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CN(c3ccccc3)CCO1)C2 ZINC001169111912 785057019 /nfs/dbraw/zinc/05/70/19/785057019.db2.gz QVVFOYGZHSIUAN-QXCFHYIPSA-N 1 3 315.461 2.107 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CN(c3ccccc3)CCO1)C2 ZINC001169111910 785057134 /nfs/dbraw/zinc/05/71/34/785057134.db2.gz QVVFOYGZHSIUAN-NQYYFHDYSA-N 1 3 315.461 2.107 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001008746078 785292348 /nfs/dbraw/zinc/29/23/48/785292348.db2.gz HMDRVWQOSZFZHW-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001008746078 785292355 /nfs/dbraw/zinc/29/23/55/785292355.db2.gz HMDRVWQOSZFZHW-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](F)C[NH2+]CCCC[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001171254301 791149095 /nfs/dbraw/zinc/14/90/95/791149095.db2.gz QPYCGQQSWKEIJR-GJZGRUSLSA-N 1 3 315.477 2.483 20 0 DEADHO CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)N(C)CC)C2 ZINC001109464135 785887900 /nfs/dbraw/zinc/88/79/00/785887900.db2.gz NJNIZFCOJLYNID-WCVJEAGWSA-N 1 3 309.498 2.484 20 0 DEADHO CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)N(C)CC)C2 ZINC001109464135 785887914 /nfs/dbraw/zinc/88/79/14/785887914.db2.gz NJNIZFCOJLYNID-WCVJEAGWSA-N 1 3 309.498 2.484 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001015393820 787031681 /nfs/dbraw/zinc/03/16/81/787031681.db2.gz WAOSMQIULIZKOE-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001015393820 787031688 /nfs/dbraw/zinc/03/16/88/787031688.db2.gz WAOSMQIULIZKOE-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)[C@@H](C(=O)NCC[NH2+]CC1CCC(C)(C)CC1)C1CC1 ZINC001129437301 787213827 /nfs/dbraw/zinc/21/38/27/787213827.db2.gz YOEQDLLDIRULQX-MRXNPFEDSA-N 1 3 309.498 2.249 20 0 DEADHO CC(C)[C@@H](C(=O)NCCN[C@H](C)c1ccccc1F)[NH+](C)C ZINC001129953324 787264026 /nfs/dbraw/zinc/26/40/26/787264026.db2.gz HNMSGAURKKBRNI-CJNGLKHVSA-N 1 3 309.429 2.179 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC[NH2+][C@H]1CCc2ccccc21 ZINC001130424900 787386187 /nfs/dbraw/zinc/38/61/87/787386187.db2.gz FVEZGSZKIZHCFZ-INIZCTEOSA-N 1 3 303.450 2.110 20 0 DEADHO CCc1cccc(C[NH2+]CCNC(=O)C(C)(C)N(C)CC)c1 ZINC001130418919 787392876 /nfs/dbraw/zinc/39/28/76/787392876.db2.gz CHKNZTSFUTVUKY-UHFFFAOYSA-N 1 3 305.466 2.185 20 0 DEADHO CC(C)=CCN1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132240334 787992323 /nfs/dbraw/zinc/99/23/23/787992323.db2.gz FKLHOIUDQZGMGN-HZPDHXFCSA-N 1 3 307.482 2.264 20 0 DEADHO C[C@H](NCCNC(=O)CCC[NH+](C)C)c1ccc(F)c(F)c1 ZINC001133051661 788263398 /nfs/dbraw/zinc/26/33/98/788263398.db2.gz KCHDYTCOCGJNLE-LBPRGKRZSA-N 1 3 313.392 2.073 20 0 DEADHO CCC[NH2+]C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1C ZINC001133120796 788286455 /nfs/dbraw/zinc/28/64/55/788286455.db2.gz BEWAOYXCHZADMD-CVEARBPZSA-N 1 3 311.514 2.449 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCC[NH2+][C@@H]1CCCc2ccccc21 ZINC001133823431 788619775 /nfs/dbraw/zinc/61/97/75/788619775.db2.gz GGKUUASKZKIYSI-MAUKXSAKSA-N 1 3 315.461 2.254 20 0 DEADHO Cc1cccc(Cl)c1CNCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133845697 788638268 /nfs/dbraw/zinc/63/82/68/788638268.db2.gz LUJFINDFTXZESV-ZDUSSCGKSA-N 1 3 323.868 2.196 20 0 DEADHO Cc1cccc(Cl)c1CNCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133845697 788638272 /nfs/dbraw/zinc/63/82/72/788638272.db2.gz LUJFINDFTXZESV-ZDUSSCGKSA-N 1 3 323.868 2.196 20 0 DEADHO CCCCC[NH2+]CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001133856705 788641415 /nfs/dbraw/zinc/64/14/15/788641415.db2.gz OFYXNLWVLMJPKX-INIZCTEOSA-N 1 3 301.450 2.095 20 0 DEADHO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])[C@@H](N[C@H]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001170736964 788804703 /nfs/dbraw/zinc/80/47/03/788804703.db2.gz UTSXCIBMSBLTFR-KHMAMNHCSA-N 1 3 323.481 2.347 20 0 DEADHO C[C@H](C[C@@H](C)[NH2+]CCCCCF)NC(=O)C1(N(C)C)CCC1 ZINC001134583314 788989176 /nfs/dbraw/zinc/98/91/76/788989176.db2.gz ILSLWMQDPTUHGK-HUUCEWRRSA-N 1 3 315.477 2.483 20 0 DEADHO CCOCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)N(C)CC ZINC001134772464 789072918 /nfs/dbraw/zinc/07/29/18/789072918.db2.gz DOECKHJWNUKJRZ-LSDHHAIUSA-N 1 3 315.502 2.016 20 0 DEADHO C[C@@H](C[C@H](C)[NH2+]CCC1CC1)NC(=O)CN1CCC(C)(C)C1 ZINC001135477120 789364318 /nfs/dbraw/zinc/36/43/18/789364318.db2.gz QXOGDCGREYGITQ-GJZGRUSLSA-N 1 3 309.498 2.391 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+]Cc1ccc(CC(C)C)cc1 ZINC001135513029 789381633 /nfs/dbraw/zinc/38/16/33/789381633.db2.gz DFRSOGHADLVJBC-UHFFFAOYSA-N 1 3 319.493 2.433 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccsc1 ZINC001135705549 789460162 /nfs/dbraw/zinc/46/01/62/789460162.db2.gz FGBUPOBPHDGFQK-UONOGXRCSA-N 1 3 311.495 2.463 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1c(C)noc1C ZINC001135744272 789475466 /nfs/dbraw/zinc/47/54/66/789475466.db2.gz YNWBAWYYQFABMK-OLZOCXBDSA-N 1 3 324.469 2.006 20 0 DEADHO CCCCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)CCC ZINC001135979282 789581945 /nfs/dbraw/zinc/58/19/45/789581945.db2.gz DQWLPXZZOUDWAQ-HOTGVXAUSA-N 1 3 315.502 2.018 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCOC(C)C ZINC001135979800 789582075 /nfs/dbraw/zinc/58/20/75/789582075.db2.gz JBPFAYWEAYBGCF-JKSUJKDBSA-N 1 3 315.502 2.016 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC(F)(F)F ZINC001136031839 789600923 /nfs/dbraw/zinc/60/09/23/789600923.db2.gz RCYYALKSEYVKGJ-UWVGGRQHSA-N 1 3 320.359 2.086 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccsc1 ZINC001136030759 789601101 /nfs/dbraw/zinc/60/11/01/789601101.db2.gz BOLGJCUWSIXPFN-VXGBXAGGSA-N 1 3 320.462 2.395 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCCC1 ZINC001136031455 789601521 /nfs/dbraw/zinc/60/15/21/789601521.db2.gz LLYSIHNGZVTEDH-OLZOCXBDSA-N 1 3 306.454 2.324 20 0 DEADHO C[C@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C[N@@H+]1CC1CC1 ZINC001071738620 789899894 /nfs/dbraw/zinc/89/98/94/789899894.db2.gz FXGWJVFNAZFTGU-GOEBONIOSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C[N@H+]1CC1CC1 ZINC001071738620 789899899 /nfs/dbraw/zinc/89/98/99/789899899.db2.gz FXGWJVFNAZFTGU-GOEBONIOSA-N 1 3 307.482 2.240 20 0 DEADHO CCCCC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001147749563 791617081 /nfs/dbraw/zinc/61/70/81/791617081.db2.gz XOZXXCCDGIEMQE-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CCCCC[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001147749563 791617091 /nfs/dbraw/zinc/61/70/91/791617091.db2.gz XOZXXCCDGIEMQE-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@]2(C)C1 ZINC001091666853 791637971 /nfs/dbraw/zinc/63/79/71/791637971.db2.gz ISFLQAIDHBUUDC-AOIWGVFYSA-N 1 3 321.509 2.440 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@]2(C)C1 ZINC001091666853 791637973 /nfs/dbraw/zinc/63/79/73/791637973.db2.gz ISFLQAIDHBUUDC-AOIWGVFYSA-N 1 3 321.509 2.440 20 0 DEADHO CCCCCC[N@@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001148286745 791729251 /nfs/dbraw/zinc/72/92/51/791729251.db2.gz XXYYOUGYSQPPID-KRWDZBQOSA-N 1 3 321.509 2.443 20 0 DEADHO CCCCCC[N@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001148286745 791729253 /nfs/dbraw/zinc/72/92/53/791729253.db2.gz XXYYOUGYSQPPID-KRWDZBQOSA-N 1 3 321.509 2.443 20 0 DEADHO CC(C)=CC[N@H+]1C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@]2(C)C1 ZINC001091735088 791772972 /nfs/dbraw/zinc/77/29/72/791772972.db2.gz ITNIWIOKKGIEPR-AEFFLSMTSA-N 1 3 319.493 2.217 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@]2(C)C1 ZINC001091735088 791772977 /nfs/dbraw/zinc/77/29/77/791772977.db2.gz ITNIWIOKKGIEPR-AEFFLSMTSA-N 1 3 319.493 2.217 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](CC(CC)CC)C2 ZINC001148651623 791781606 /nfs/dbraw/zinc/78/16/06/791781606.db2.gz LEVFDFLCSRJHIQ-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](CC(CC)CC)C2 ZINC001148651623 791781611 /nfs/dbraw/zinc/78/16/11/791781611.db2.gz LEVFDFLCSRJHIQ-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CC/C=C/CC[N@@H+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001148838913 791809733 /nfs/dbraw/zinc/80/97/33/791809733.db2.gz HMNNGSMELYKETO-VOTSOKGWSA-N 1 3 307.482 2.217 20 0 DEADHO CC/C=C/CC[N@H+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001148838913 791809738 /nfs/dbraw/zinc/80/97/38/791809738.db2.gz HMNNGSMELYKETO-VOTSOKGWSA-N 1 3 307.482 2.217 20 0 DEADHO CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCCN3C)C2)CC1 ZINC001086908372 791846361 /nfs/dbraw/zinc/84/63/61/791846361.db2.gz ZEELEMUSMXDXGG-HOTGVXAUSA-N 1 3 307.482 2.194 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C[C@H]1C)CC[NH+](C(C)C)CC2)N(C)C ZINC001086943049 791857972 /nfs/dbraw/zinc/85/79/72/791857972.db2.gz INUZZTGUUSSSGJ-CVEARBPZSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001086942433 791858042 /nfs/dbraw/zinc/85/80/42/791858042.db2.gz QSUXUDBQYAYKOG-IAGOWNOFSA-N 1 3 321.509 2.440 20 0 DEADHO CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@]2(C)C1 ZINC001092071503 791928600 /nfs/dbraw/zinc/92/86/00/791928600.db2.gz YIXYMBBBTMUSMZ-LMMKCTJWSA-N 1 3 321.509 2.440 20 0 DEADHO CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@]2(C)C1 ZINC001092071503 791928604 /nfs/dbraw/zinc/92/86/04/791928604.db2.gz YIXYMBBBTMUSMZ-LMMKCTJWSA-N 1 3 321.509 2.440 20 0 DEADHO CCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCN2CCC)[C@H](C)C1 ZINC001092658214 792104232 /nfs/dbraw/zinc/10/42/32/792104232.db2.gz LQLSLWQTCNCDEX-BRWVUGGUSA-N 1 3 309.498 2.345 20 0 DEADHO CCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCN2CCC)[C@H](C)C1 ZINC001092658214 792104239 /nfs/dbraw/zinc/10/42/39/792104239.db2.gz LQLSLWQTCNCDEX-BRWVUGGUSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C1CCC1)C2 ZINC001099446304 792209866 /nfs/dbraw/zinc/20/98/66/792209866.db2.gz LNOMJGFKHJIUJH-YJBOKZPZSA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)C1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC3CC3)C2)CCC1 ZINC001099447209 792210766 /nfs/dbraw/zinc/21/07/66/792210766.db2.gz ZBJFNLDLIXMYJG-WMZOPIPTSA-N 1 3 319.493 2.099 20 0 DEADHO CN(C)[C@H](C(=O)NCC1CC([NH2+]CC2CC(C)(C)C2)C1)C1CC1 ZINC001100408110 792633843 /nfs/dbraw/zinc/63/38/43/792633843.db2.gz VLIPFRCYJAFCEQ-IMRCBTMISA-N 1 3 321.509 2.247 20 0 DEADHO CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N1CCCC1)C2 ZINC001110161926 793043861 /nfs/dbraw/zinc/04/38/61/793043861.db2.gz YSWLDWZPSJNJCX-QZWWFDLISA-N 1 3 307.482 2.238 20 0 DEADHO CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N1CCCC1)C2 ZINC001110161926 793043873 /nfs/dbraw/zinc/04/38/73/793043873.db2.gz YSWLDWZPSJNJCX-QZWWFDLISA-N 1 3 307.482 2.238 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC1)N1CCCC1 ZINC001110161474 793055746 /nfs/dbraw/zinc/05/57/46/793055746.db2.gz GUILCWNXFZIOKK-VSZNYVQBSA-N 1 3 319.493 2.238 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC1)N1CCCC1 ZINC001110161474 793055754 /nfs/dbraw/zinc/05/57/54/793055754.db2.gz GUILCWNXFZIOKK-VSZNYVQBSA-N 1 3 319.493 2.238 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1conc1C)N(C)C ZINC001171501555 793115220 /nfs/dbraw/zinc/11/52/20/793115220.db2.gz SZEBBDSAGGLGAY-XJKSGUPXSA-N 1 3 324.469 2.088 20 0 DEADHO C[NH+]1C(C)(C)CC(n2c3c(sc2=N)CNCC3)CC1(C)C ZINC001171639462 793172563 /nfs/dbraw/zinc/17/25/63/793172563.db2.gz KSSSSVXYRBBINI-UHFFFAOYSA-N 1 3 308.495 2.499 20 0 DEADHO CC1(C)C[C@@H](NCCn2ccnn2)CC[N@@H+]1Cc1ccccc1 ZINC001171966605 793260655 /nfs/dbraw/zinc/26/06/55/793260655.db2.gz VUEJRLKXWKVIEW-KRWDZBQOSA-N 1 3 313.449 2.311 20 0 DEADHO CC1(C)C[C@@H](NCCn2ccnn2)CC[N@H+]1Cc1ccccc1 ZINC001171966605 793260663 /nfs/dbraw/zinc/26/06/63/793260663.db2.gz VUEJRLKXWKVIEW-KRWDZBQOSA-N 1 3 313.449 2.311 20 0 DEADHO O=C1C[C@@H](NC2CC[NH+](CC3CCCC3)CC2)CCN1C1CC1 ZINC001172004891 793277682 /nfs/dbraw/zinc/27/76/82/793277682.db2.gz LFYSJNQLOHIFDS-KRWDZBQOSA-N 1 3 319.493 2.384 20 0 DEADHO O=C1C[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)CCN1C1CC1 ZINC001172004891 793277689 /nfs/dbraw/zinc/27/76/89/793277689.db2.gz LFYSJNQLOHIFDS-KRWDZBQOSA-N 1 3 319.493 2.384 20 0 DEADHO CC(=O)NCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172063651 793316360 /nfs/dbraw/zinc/31/63/60/793316360.db2.gz APBGZXYHMQGXID-REPLKXPHSA-N 1 3 315.461 2.298 20 0 DEADHO CC(=O)NCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172063651 793316370 /nfs/dbraw/zinc/31/63/70/793316370.db2.gz APBGZXYHMQGXID-REPLKXPHSA-N 1 3 315.461 2.298 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCNC(=O)c1cccs1)C2 ZINC001172109134 793332930 /nfs/dbraw/zinc/33/29/30/793332930.db2.gz GWHXTNYYXQUGTB-ZSOGYDGISA-N 1 3 307.463 2.083 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCNC(=O)c1cccs1)C2 ZINC001172109134 793332936 /nfs/dbraw/zinc/33/29/36/793332936.db2.gz GWHXTNYYXQUGTB-ZSOGYDGISA-N 1 3 307.463 2.083 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H](CO)Cc1ccc(F)cc1F)C2 ZINC001172114622 793335679 /nfs/dbraw/zinc/33/56/79/793335679.db2.gz RIYHTDKRAVGLSK-VQHPVUNQSA-N 1 3 324.415 2.473 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H](CO)Cc1ccc(F)cc1F)C2 ZINC001172114622 793335688 /nfs/dbraw/zinc/33/56/88/793335688.db2.gz RIYHTDKRAVGLSK-VQHPVUNQSA-N 1 3 324.415 2.473 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCN1CCCC(F)(F)C1)C2 ZINC001172116547 793336513 /nfs/dbraw/zinc/33/65/13/793336513.db2.gz HRHXSLHQIYUPJH-QDMKHBRRSA-N 1 3 301.425 2.322 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCN1CCCC(F)(F)C1)C2 ZINC001172116547 793336519 /nfs/dbraw/zinc/33/65/19/793336519.db2.gz HRHXSLHQIYUPJH-QDMKHBRRSA-N 1 3 301.425 2.322 20 0 DEADHO [NH3+]C1(CC2CCC2)CCN([C@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172161368 793356302 /nfs/dbraw/zinc/35/63/02/793356302.db2.gz VEWFHUGTTYQVBT-HOTGVXAUSA-N 1 3 305.466 2.123 20 0 DEADHO COCCC[NH+]1CCC(NCc2cccc3c2cnn3C)CC1 ZINC001172249099 793388219 /nfs/dbraw/zinc/38/82/19/793388219.db2.gz HONANKMUCXUTJA-UHFFFAOYSA-N 1 3 316.449 2.164 20 0 DEADHO Cc1nccn1-c1ccc(CN2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206166678 793448310 /nfs/dbraw/zinc/44/83/10/793448310.db2.gz UGFMLBQDIWATEM-DLBZAZTESA-N 1 3 302.397 2.442 20 0 DEADHO CO[C@@H]1CCC[C@@H]([NH2+]C2CCN(CC3CCOCC3)CC2)C1 ZINC001172926938 793534979 /nfs/dbraw/zinc/53/49/79/793534979.db2.gz ULQUXCHKHJPYTH-QZTJIDSGSA-N 1 3 310.482 2.425 20 0 DEADHO CC[NH+](CC)C1CCC(N2Cc3ccnn3CC[C@@H]2CO)CC1 ZINC001173114174 793582499 /nfs/dbraw/zinc/58/24/99/793582499.db2.gz YLQKTFJMSAOFQN-LEOMRAHMSA-N 1 3 320.481 2.103 20 0 DEADHO CC[NH+](CC)C1CCC(N2Cc3ccnn3CC[C@H]2CO)CC1 ZINC001173114173 793582526 /nfs/dbraw/zinc/58/25/26/793582526.db2.gz YLQKTFJMSAOFQN-HTWSVDAQSA-N 1 3 320.481 2.103 20 0 DEADHO CC(C)CC[N@H+]1C[C@@H](CNC(=O)CN2CCC[C@H]2C)[C@H](C)C1 ZINC001102368021 793587269 /nfs/dbraw/zinc/58/72/69/793587269.db2.gz AODKKGKGBVEINW-BRWVUGGUSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)CC[N@@H+]1C[C@@H](CNC(=O)CN2CCC[C@H]2C)[C@H](C)C1 ZINC001102368021 793587272 /nfs/dbraw/zinc/58/72/72/793587272.db2.gz AODKKGKGBVEINW-BRWVUGGUSA-N 1 3 309.498 2.201 20 0 DEADHO CCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C)N2CCCCCC2)[C@H](C)C1 ZINC001102430107 793612901 /nfs/dbraw/zinc/61/29/01/793612901.db2.gz FKCCZYWXRKLQBU-BRWVUGGUSA-N 1 3 309.498 2.345 20 0 DEADHO CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)N2CCCCCC2)[C@H](C)C1 ZINC001102430107 793612908 /nfs/dbraw/zinc/61/29/08/793612908.db2.gz FKCCZYWXRKLQBU-BRWVUGGUSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN1C[C@@H]2C[NH+]([C@@H]3COc4cccc(OC)c4C3)C[C@H]2C1 ZINC001173169089 793630713 /nfs/dbraw/zinc/63/07/13/793630713.db2.gz XAHODYJEDRHBLW-OAGGEKHMSA-N 1 3 316.445 2.272 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[N@H+](CC[C@@H](C)F)C[C@H]1C ZINC001103676961 794188241 /nfs/dbraw/zinc/18/82/41/794188241.db2.gz COTZAQLNTANSLS-UMVBOHGHSA-N 1 3 324.444 2.083 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[N@@H+](CC[C@@H](C)F)C[C@H]1C ZINC001103676961 794188245 /nfs/dbraw/zinc/18/82/45/794188245.db2.gz COTZAQLNTANSLS-UMVBOHGHSA-N 1 3 324.444 2.083 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccccn1 ZINC001175768717 794283907 /nfs/dbraw/zinc/28/39/07/794283907.db2.gz MVKZHYNGMPAABF-MRXNPFEDSA-N 1 3 320.481 2.188 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1cnc(C)o1 ZINC001176285708 794390876 /nfs/dbraw/zinc/39/08/76/794390876.db2.gz PKJDFXBAXBPLOK-AWEZNQCLSA-N 1 3 324.469 2.089 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176971507 794543422 /nfs/dbraw/zinc/54/34/22/794543422.db2.gz AKZPHXMJOUPAGK-MRXNPFEDSA-N 1 3 305.466 2.492 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)[C@@H]1C ZINC001179987344 795215081 /nfs/dbraw/zinc/21/50/81/795215081.db2.gz QWLIQQZXOXDYTL-RDJZCZTQSA-N 1 3 307.482 2.408 20 0 DEADHO CCCN(C)CC(=O)NCCCCCC[NH2+]C[C@H](CC)OC ZINC001180123917 795245295 /nfs/dbraw/zinc/24/52/95/795245295.db2.gz NURXLILAWSURBK-INIZCTEOSA-N 1 3 315.502 2.019 20 0 DEADHO CCCN(C)CC(=O)NCCCCCC[NH2+]C/C=C/Cl ZINC001180124519 795245589 /nfs/dbraw/zinc/24/55/89/795245589.db2.gz YVMGLYPZJYGTAP-CMDGGOBGSA-N 1 3 303.878 2.347 20 0 DEADHO O=C(CN1CCCC1)NCCCCCC[NH2+]Cc1nccs1 ZINC001180274365 795268809 /nfs/dbraw/zinc/26/88/09/795268809.db2.gz AFOYLVJGDUILGA-UHFFFAOYSA-N 1 3 324.494 2.005 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CC[C@@H](C)F)CCCCC1 ZINC001120069156 795401722 /nfs/dbraw/zinc/40/17/22/795401722.db2.gz WJNLOILNWGMPRO-CYBMUJFWSA-N 1 3 324.444 2.417 20 0 DEADHO CCCC[NH2+]C[C@]1(C)CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001181746575 795531024 /nfs/dbraw/zinc/53/10/24/795531024.db2.gz QLCRKXGAAJMXCQ-NVXWUHKLSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001181755778 795533410 /nfs/dbraw/zinc/53/34/10/795533410.db2.gz VYLIKZUYCHOULT-UWWQBHOKSA-N 1 3 309.498 2.057 20 0 DEADHO CC(C)C[NH2+]C1CC2(CC(NC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001121237734 795606992 /nfs/dbraw/zinc/60/69/92/795606992.db2.gz CBOHVNMHHCVUBK-UHFFFAOYSA-N 1 3 307.482 2.144 20 0 DEADHO CC(C)N(C)CC(=O)NC1CC2(C1)CC([NH2+]CCC1CC1)C2 ZINC001122242548 795739206 /nfs/dbraw/zinc/73/92/06/795739206.db2.gz ICSHBMSHJRGEKX-UHFFFAOYSA-N 1 3 307.482 2.144 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CC(C)C2)C1 ZINC001182932596 795785802 /nfs/dbraw/zinc/78/58/02/795785802.db2.gz BRDGJWWOVQGCSF-MPLMCADHSA-N 1 3 323.525 2.449 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@@H](NC/C=C\Cl)C1 ZINC001183254826 795840237 /nfs/dbraw/zinc/84/02/37/795840237.db2.gz HDNZFFQVVBERAK-JBLNNTITSA-N 1 3 313.873 2.192 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@@H](NC/C=C\Cl)C1 ZINC001183254826 795840244 /nfs/dbraw/zinc/84/02/44/795840244.db2.gz HDNZFFQVVBERAK-JBLNNTITSA-N 1 3 313.873 2.192 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001183765043 795926898 /nfs/dbraw/zinc/92/68/98/795926898.db2.gz MYIXMNREFHBPEE-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001183760407 795927000 /nfs/dbraw/zinc/92/70/00/795927000.db2.gz YIYFNGSEGXTQND-MRXNPFEDSA-N 1 3 303.450 2.107 20 0 DEADHO COc1cc(C)c(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)cc1OC ZINC001138437936 796219435 /nfs/dbraw/zinc/21/94/35/796219435.db2.gz SNZIBVXOBRFHQU-ZBFHGGJFSA-N 1 3 304.434 2.396 20 0 DEADHO COc1cc(C)c(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)cc1OC ZINC001138437936 796219442 /nfs/dbraw/zinc/21/94/42/796219442.db2.gz SNZIBVXOBRFHQU-ZBFHGGJFSA-N 1 3 304.434 2.396 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001185651259 796299351 /nfs/dbraw/zinc/29/93/51/796299351.db2.gz VNKXJDBAQDCZFP-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC001187321978 796517264 /nfs/dbraw/zinc/51/72/64/796517264.db2.gz KLEWOGRZKSKTLT-AEFFLSMTSA-N 1 3 315.461 2.206 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCCCCF)C1 ZINC001188138846 796630817 /nfs/dbraw/zinc/63/08/17/796630817.db2.gz FAXBJCSHVJAHIR-HZPDHXFCSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H](NC/C=C\Cl)C1)[NH+]1CCCC1 ZINC001188139610 796631733 /nfs/dbraw/zinc/63/17/33/796631733.db2.gz PWHKHCIGVCSJTI-JFOCPDPESA-N 1 3 313.873 2.050 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CCc1ccccc1F ZINC001161226600 796816614 /nfs/dbraw/zinc/81/66/14/796816614.db2.gz KRHMFQXERLMENS-UHFFFAOYSA-N 1 3 323.456 2.194 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC[NH2+]CCC1=CCCCC1 ZINC001152146378 797150145 /nfs/dbraw/zinc/15/01/45/797150145.db2.gz JBHUXUJTKLXZPA-HZPDHXFCSA-N 1 3 307.482 2.456 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC[NH2+]CCCCC(F)(F)F ZINC001152149445 797150838 /nfs/dbraw/zinc/15/08/38/797150838.db2.gz XTZLWDPSVPRNKT-BETUJISGSA-N 1 3 323.403 2.298 20 0 DEADHO C[C@@H](NCCNC(=O)CCC[NH+]1CCCC1)c1cccc(F)c1 ZINC001152237599 797161424 /nfs/dbraw/zinc/16/14/24/797161424.db2.gz RBWSQVQSIGIWJX-OAHLLOKOSA-N 1 3 321.440 2.469 20 0 DEADHO CCC/C=C/CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001191728060 797247869 /nfs/dbraw/zinc/24/78/69/797247869.db2.gz VINSOSABCCKWHI-YMPXZSTISA-N 1 3 307.482 2.360 20 0 DEADHO CCC/C=C/CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001191728060 797247874 /nfs/dbraw/zinc/24/78/74/797247874.db2.gz VINSOSABCCKWHI-YMPXZSTISA-N 1 3 307.482 2.360 20 0 DEADHO CN(Cc1cccc(Cl)c1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192151612 797326681 /nfs/dbraw/zinc/32/66/81/797326681.db2.gz AHMDFCGUIVYXJN-INIZCTEOSA-N 1 3 323.868 2.324 20 0 DEADHO CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001192354249 797370167 /nfs/dbraw/zinc/37/01/67/797370167.db2.gz KRTYMIWPYOEVOR-LZCSOBMZSA-N 1 3 307.482 2.217 20 0 DEADHO CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001192354249 797370175 /nfs/dbraw/zinc/37/01/75/797370175.db2.gz KRTYMIWPYOEVOR-LZCSOBMZSA-N 1 3 307.482 2.217 20 0 DEADHO C[N@H+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192551200 797405255 /nfs/dbraw/zinc/40/52/55/797405255.db2.gz OUVKWWMMONAAMV-OAHLLOKOSA-N 1 3 306.454 2.311 20 0 DEADHO C[N@@H+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192551200 797405259 /nfs/dbraw/zinc/40/52/59/797405259.db2.gz OUVKWWMMONAAMV-OAHLLOKOSA-N 1 3 306.454 2.311 20 0 DEADHO c1ccc([C@H](CNc2ncc3c(n2)CCNC3)[NH+]2CCCC2)cc1 ZINC001156529200 798022641 /nfs/dbraw/zinc/02/26/41/798022641.db2.gz DBPCHGNZNKJYIB-SFHVURJKSA-N 1 3 323.444 2.371 20 0 DEADHO CCN(Cc1ccsc1)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001156890501 798102811 /nfs/dbraw/zinc/10/28/11/798102811.db2.gz NFNFFTWEJPSTMQ-UKRRQHHQSA-N 1 3 309.479 2.026 20 0 DEADHO CCN(Cc1ccsc1)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001156890501 798102813 /nfs/dbraw/zinc/10/28/13/798102813.db2.gz NFNFFTWEJPSTMQ-UKRRQHHQSA-N 1 3 309.479 2.026 20 0 DEADHO CC/C=C\CC[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001197048621 798137854 /nfs/dbraw/zinc/13/78/54/798137854.db2.gz FVUZUTPVAIQKSD-ZPUOCTKUSA-N 1 3 309.498 2.463 20 0 DEADHO CC/C=C\CC[N@H+]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001197048621 798137860 /nfs/dbraw/zinc/13/78/60/798137860.db2.gz FVUZUTPVAIQKSD-ZPUOCTKUSA-N 1 3 309.498 2.463 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CCCN(CCc2ccccc2)CC1 ZINC001197692180 798226274 /nfs/dbraw/zinc/22/62/74/798226274.db2.gz QYGMQIKUQFXLPX-UHFFFAOYSA-N 1 3 317.477 2.105 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CCCN(CCc2ccccc2)CC1 ZINC001197692180 798226279 /nfs/dbraw/zinc/22/62/79/798226279.db2.gz QYGMQIKUQFXLPX-UHFFFAOYSA-N 1 3 317.477 2.105 20 0 DEADHO CN(Cc1ccc(-n2cnc3ccc(C[NH3+])cc32)nc1)C1CC1 ZINC001158013240 798327641 /nfs/dbraw/zinc/32/76/41/798327641.db2.gz ZMPKJWKLWMYFIZ-UHFFFAOYSA-N 1 3 307.401 2.473 20 0 DEADHO C[C@@H](F)CC[NH2+]CCCNC(=O)C(C)(C)N1CCCCC1 ZINC001158079539 798338056 /nfs/dbraw/zinc/33/80/56/798338056.db2.gz FHPCIRPXKNRKCE-CQSZACIVSA-N 1 3 301.450 2.095 20 0 DEADHO Cc1csc2ncnc(N3CCC([N@@H+]4CC[C@H](N)C4)CC3)c12 ZINC001158259926 798368809 /nfs/dbraw/zinc/36/88/09/798368809.db2.gz XMYYCFHBRNFGKB-LBPRGKRZSA-N 1 3 317.462 2.002 20 0 DEADHO Cc1csc2ncnc(N3CCC([N@H+]4CC[C@H](N)C4)CC3)c12 ZINC001158259926 798368815 /nfs/dbraw/zinc/36/88/15/798368815.db2.gz XMYYCFHBRNFGKB-LBPRGKRZSA-N 1 3 317.462 2.002 20 0 DEADHO CN(C)C1(C(=O)NCCC[NH2+]Cc2ccc(Cl)cc2)CCC1 ZINC001159853202 798618935 /nfs/dbraw/zinc/61/89/35/798618935.db2.gz AKZHNDZYBFNWNE-UHFFFAOYSA-N 1 3 323.868 2.420 20 0 DEADHO Cc1ccc(F)c(C[NH2+]CCCNC(=O)[C@@H](C2CC2)N(C)C)c1 ZINC001159933040 798628315 /nfs/dbraw/zinc/62/83/15/798628315.db2.gz YIXZKPQXVHAQOU-QGZVFWFLSA-N 1 3 321.440 2.070 20 0 DEADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1c1ccc(F)cc1F ZINC001160939586 798766198 /nfs/dbraw/zinc/76/61/98/798766198.db2.gz COAWAOCXULEPRP-GJZGRUSLSA-N 1 3 311.376 2.085 20 0 DEADHO CCC(CC)C[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001201525215 798769865 /nfs/dbraw/zinc/76/98/65/798769865.db2.gz DEHYYKQRPHOEJE-UHFFFAOYSA-N 1 3 319.493 2.247 20 0 DEADHO CCC(CC)C[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001201525215 798769871 /nfs/dbraw/zinc/76/98/71/798769871.db2.gz DEHYYKQRPHOEJE-UHFFFAOYSA-N 1 3 319.493 2.247 20 0 DEADHO Clc1cc(N[C@H]2CC[N@@H+](C3CCC3)C2)c2c(n1)CNCC2 ZINC001161177172 798805829 /nfs/dbraw/zinc/80/58/29/798805829.db2.gz KJDBYAUHBLWEFE-NSHDSACASA-N 1 3 306.841 2.419 20 0 DEADHO Clc1cc(N[C@H]2CC[N@H+](C3CCC3)C2)c2c(n1)CNCC2 ZINC001161177172 798805833 /nfs/dbraw/zinc/80/58/33/798805833.db2.gz KJDBYAUHBLWEFE-NSHDSACASA-N 1 3 306.841 2.419 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC([NH2+]CCC(F)(F)F)CC1)N(C)C ZINC001202353637 798872517 /nfs/dbraw/zinc/87/25/17/798872517.db2.gz PAWGNRDVLYGUIP-CYBMUJFWSA-N 1 3 323.403 2.106 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@@H](C)F ZINC001110738346 799001712 /nfs/dbraw/zinc/00/17/12/799001712.db2.gz BBLRBBCREVOOPK-TUVASFSCSA-N 1 3 313.461 2.186 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@@H](C)F ZINC001110738346 799001720 /nfs/dbraw/zinc/00/17/20/799001720.db2.gz BBLRBBCREVOOPK-TUVASFSCSA-N 1 3 313.461 2.186 20 0 DEADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC[C@@H](C)F ZINC001110738346 799001727 /nfs/dbraw/zinc/00/17/27/799001727.db2.gz BBLRBBCREVOOPK-TUVASFSCSA-N 1 3 313.461 2.186 20 0 DEADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC[C@@H](C)F ZINC001110738346 799001732 /nfs/dbraw/zinc/00/17/32/799001732.db2.gz BBLRBBCREVOOPK-TUVASFSCSA-N 1 3 313.461 2.186 20 0 DEADHO CN1CCC[C@](C)(Nc2nc(Cl)cc(C3CC[NH2+]CC3)n2)C1 ZINC001162342986 799066324 /nfs/dbraw/zinc/06/63/24/799066324.db2.gz YTQSCNOJKXETEH-INIZCTEOSA-N 1 3 323.872 2.493 20 0 DEADHO CC[NH+](CC)CCNC(=N)Nc1cnc(-c2ccccc2)cn1 ZINC001163128366 799253423 /nfs/dbraw/zinc/25/34/23/799253423.db2.gz HVXUDQRSSHHCNL-UHFFFAOYSA-N 1 3 312.421 2.422 20 0 DEADHO CCOc1cc[nH+]c(N2CCC(C)(N3CCOCC3)CC2)c1 ZINC001165135180 799660750 /nfs/dbraw/zinc/66/07/50/799660750.db2.gz RELOJTWWAAWKRS-UHFFFAOYSA-N 1 3 305.422 2.171 20 0 DEADHO CC[C@H](C)C[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001165485454 799735874 /nfs/dbraw/zinc/73/58/74/799735874.db2.gz WWICJSHFESXRHE-GOEBONIOSA-N 1 3 309.498 2.249 20 0 DEADHO CC(C)[C@H](C(=O)NCCC[NH2+]C/C=C\c1ccccc1)N(C)C ZINC001166004078 799811846 /nfs/dbraw/zinc/81/18/46/799811846.db2.gz FHXYOAJUBLCRCB-XSZJWBAASA-N 1 3 317.477 2.382 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CC1)N(C)C ZINC001110994262 799816154 /nfs/dbraw/zinc/81/61/54/799816154.db2.gz VLZUGRSWBCMRRY-WCXIOVBPSA-N 1 3 307.482 2.094 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1)N(C)C ZINC001110994262 799816157 /nfs/dbraw/zinc/81/61/57/799816157.db2.gz VLZUGRSWBCMRRY-WCXIOVBPSA-N 1 3 307.482 2.094 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CCC1=CCCCC1 ZINC001166626812 799905042 /nfs/dbraw/zinc/90/50/42/799905042.db2.gz JYDHYGYVZNCLJN-INIZCTEOSA-N 1 3 307.482 2.457 20 0 DEADHO C[C@@H]([NH2+]CCCNC(=O)CN1CCC[C@@H]1C)c1cccc(F)c1 ZINC001166645834 799909174 /nfs/dbraw/zinc/90/91/74/799909174.db2.gz VPIBDXDCUWAKAO-LSDHHAIUSA-N 1 3 321.440 2.467 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]C/C=C/c2ccccc2)C1 ZINC001166667947 799915973 /nfs/dbraw/zinc/91/59/73/799915973.db2.gz MKHZKVMJTOYXOM-MPNRVQBSSA-N 1 3 315.461 2.138 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+][C@H]2CCc3ccccc32)C1 ZINC001166678411 799917551 /nfs/dbraw/zinc/91/75/51/799917551.db2.gz UYXLEFALZIDUIT-QAPCUYQASA-N 1 3 315.461 2.112 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)CN2CC[C@H](C)C2)cc1F ZINC001166677429 799918644 /nfs/dbraw/zinc/91/86/44/799918644.db2.gz JKLGTLHTLAQBLR-AWEZNQCLSA-N 1 3 321.440 2.072 20 0 DEADHO C[C@@H](F)CC[NH2+]CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001166687003 799921421 /nfs/dbraw/zinc/92/14/21/799921421.db2.gz GQLHBZHPYBTMFI-CJNGLKHVSA-N 1 3 319.440 2.043 20 0 DEADHO CN(CC(=O)NCCC[NH2+]Cc1cccc(F)c1)CC(C)(C)C ZINC001166744249 799938478 /nfs/dbraw/zinc/93/84/78/799938478.db2.gz NMVFTPRDWDDHOK-UHFFFAOYSA-N 1 3 323.456 2.400 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+]CCCc1ccc(C)cc1)N(C)C ZINC001166858368 799966890 /nfs/dbraw/zinc/96/68/90/799966890.db2.gz RNNDFOQSCURLOW-SFHVURJKSA-N 1 3 319.493 2.364 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001166866851 799968766 /nfs/dbraw/zinc/96/87/66/799968766.db2.gz XBUCSPLIXLHBGN-AWEZNQCLSA-N 1 3 319.440 2.248 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+]C[C@H]1CCCC(F)(F)C1)N(C)C ZINC001166866829 799969107 /nfs/dbraw/zinc/96/91/07/799969107.db2.gz VZTUKTYDCOCYCS-KBPBESRZSA-N 1 3 319.440 2.248 20 0 DEADHO CCN(CC)CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CC2)C12CCC2 ZINC001203521452 800069683 /nfs/dbraw/zinc/06/96/83/800069683.db2.gz JGACODFQWRWYFP-CVEARBPZSA-N 1 3 307.482 2.145 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1C[C@H]([NH2+]CC=C(C)C)C12CCC2 ZINC001203524569 800069830 /nfs/dbraw/zinc/06/98/30/800069830.db2.gz XAMZXFZGHCVSTE-JKSUJKDBSA-N 1 3 307.482 2.311 20 0 DEADHO CN1CCCC[C@H]1CC[NH+]1CCC(N2CCCOC2=O)CC1 ZINC000933622958 800141023 /nfs/dbraw/zinc/14/10/23/800141023.db2.gz JNVBGUJUKUIYJI-HNNXBMFYSA-N 1 3 309.454 2.168 20 0 DEADHO CCOC(=O)COc1cccc(CN2CCC[C@](C)([NH3+])CC2)c1 ZINC001205288521 800336158 /nfs/dbraw/zinc/33/61/58/800336158.db2.gz KXRFKXBZRJWXPM-SFHVURJKSA-N 1 3 320.433 2.332 20 0 DEADHO CCOC(=O)c1ccnc(CN2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205636493 800390919 /nfs/dbraw/zinc/39/09/19/800390919.db2.gz CWTCEAWIEIYRMN-UKRRQHHQSA-N 1 3 305.422 2.065 20 0 DEADHO Nc1ccc(OC(F)(F)F)cc1C[N@H+]1CC[C@H](N)[C@@H](F)CC1 ZINC001206174241 800483935 /nfs/dbraw/zinc/48/39/35/800483935.db2.gz MUJATNTXBVNTJE-AAEUAGOBSA-N 1 3 321.318 2.429 20 0 DEADHO Nc1ccc(OC(F)(F)F)cc1C[N@@H+]1CC[C@H](N)[C@@H](F)CC1 ZINC001206174241 800483937 /nfs/dbraw/zinc/48/39/37/800483937.db2.gz MUJATNTXBVNTJE-AAEUAGOBSA-N 1 3 321.318 2.429 20 0 DEADHO CC(C)(CN1C[C@H](O)[C@@H](C[NH3+])C1)Sc1ccc(Cl)cc1 ZINC001206507052 800545390 /nfs/dbraw/zinc/54/53/90/800545390.db2.gz YOVYTRQTFOXXNL-FZMZJTMJSA-N 1 3 314.882 2.462 20 0 DEADHO C[C@]1(C[NH3+])CCCCN(Cc2ccccc2N2CCOCC2)C1 ZINC001206556632 800554664 /nfs/dbraw/zinc/55/46/64/800554664.db2.gz UDGOWTPRQWSMPX-LJQANCHMSA-N 1 3 317.477 2.474 20 0 DEADHO CCCN(C)CC(=O)N1CCC(C[NH2+]CC2CCCC2)CC1 ZINC001206890561 800617798 /nfs/dbraw/zinc/61/77/98/800617798.db2.gz XSISRVNUMOGCAZ-UHFFFAOYSA-N 1 3 309.498 2.347 20 0 DEADHO CC[N@H+](CCNC(=O)OC(C)(C)C)CC(C)(C)CN(C)C ZINC001207288535 800725265 /nfs/dbraw/zinc/72/52/65/800725265.db2.gz RPXDMQOFAHFAPV-UHFFFAOYSA-N 1 3 301.475 2.421 20 0 DEADHO CC[N@@H+](CCNC(=O)OC(C)(C)C)CC(C)(C)CN(C)C ZINC001207288535 800725269 /nfs/dbraw/zinc/72/52/69/800725269.db2.gz RPXDMQOFAHFAPV-UHFFFAOYSA-N 1 3 301.475 2.421 20 0 DEADHO c1nc(COCC2CC2)c2n1CCCN(CC1CC[NH2+]CC1)C2 ZINC001207437760 800751963 /nfs/dbraw/zinc/75/19/63/800751963.db2.gz YUEDGABLQAXZNW-UHFFFAOYSA-N 1 3 318.465 2.015 20 0 DEADHO CC1(C[N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)COC1 ZINC001207799891 800838197 /nfs/dbraw/zinc/83/81/97/800838197.db2.gz HIEMNWPUYFFLPI-ROUUACIJSA-N 1 3 300.446 2.477 20 0 DEADHO CC1(C[N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)COC1 ZINC001207799891 800838202 /nfs/dbraw/zinc/83/82/02/800838202.db2.gz HIEMNWPUYFFLPI-ROUUACIJSA-N 1 3 300.446 2.477 20 0 DEADHO CC1(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)COC1 ZINC001207799891 800838207 /nfs/dbraw/zinc/83/82/07/800838207.db2.gz HIEMNWPUYFFLPI-ROUUACIJSA-N 1 3 300.446 2.477 20 0 DEADHO CC1(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)COC1 ZINC001207799891 800838215 /nfs/dbraw/zinc/83/82/15/800838215.db2.gz HIEMNWPUYFFLPI-ROUUACIJSA-N 1 3 300.446 2.477 20 0 DEADHO Cc1n[nH]cc1C[NH+]1C[C@H]2CN(Cc3cccs3)C[C@@H]2C1 ZINC001209553945 801215090 /nfs/dbraw/zinc/21/50/90/801215090.db2.gz RYNYOEXQGZIBKI-GJZGRUSLSA-N 1 3 302.447 2.343 20 0 DEADHO CC[NH+](CC)[C@H](C(=O)N[C@@H]1CN(CCCF)C[C@H]1C)C(C)C ZINC001209585986 801227686 /nfs/dbraw/zinc/22/76/86/801227686.db2.gz ULSQCDGRIOERDG-OAGGEKHMSA-N 1 3 315.477 2.149 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]CCCCCF)C1 ZINC001209631873 801237999 /nfs/dbraw/zinc/23/79/99/801237999.db2.gz HOEWUGCSTNWXRV-JKSUJKDBSA-N 1 3 313.461 2.191 20 0 DEADHO C[C@H](F)CC[NH2+][C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209660309 801249080 /nfs/dbraw/zinc/24/90/80/801249080.db2.gz PJLPNPUZXXRBFE-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001210217664 801353073 /nfs/dbraw/zinc/35/30/73/801353073.db2.gz KTDVLMPLVLSJDO-QGZVFWFLSA-N 1 3 321.440 2.248 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC[C@H](C)F ZINC001230284792 801382162 /nfs/dbraw/zinc/38/21/62/801382162.db2.gz VGNLOYPRYQQXHG-RRFJBIMHSA-N 1 3 301.450 2.092 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CC2)CC1 ZINC001230628533 801441784 /nfs/dbraw/zinc/44/17/84/801441784.db2.gz JFTFDEMABYOVDQ-SFHVURJKSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CC2)CC1 ZINC001230628533 801441788 /nfs/dbraw/zinc/44/17/88/801441788.db2.gz JFTFDEMABYOVDQ-SFHVURJKSA-N 1 3 321.509 2.440 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC=C(C)C)C1 ZINC001211258188 801537516 /nfs/dbraw/zinc/53/75/16/801537516.db2.gz ZUOGGINZPJDKOV-SJORKVTESA-N 1 3 307.482 2.408 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@H]2CCCCN2C)C1 ZINC001211319803 801546860 /nfs/dbraw/zinc/54/68/60/801546860.db2.gz FHTNOHGFDQSCMW-BRWVUGGUSA-N 1 3 324.513 2.138 20 0 DEADHO CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001214904610 801774272 /nfs/dbraw/zinc/77/42/72/801774272.db2.gz ATFYAQQVBOZSDL-TXVACFFHSA-N 1 3 309.498 2.365 20 0 DEADHO CCN1C[C@@H]2C[N@@H+](Cc3ccc(NC(C)=O)cc3C)C[C@@H]2C1 ZINC001232189742 801810843 /nfs/dbraw/zinc/81/08/43/801810843.db2.gz MEMSIYPUPCCTPI-CALCHBBNSA-N 1 3 301.434 2.337 20 0 DEADHO CCN1C[C@@H]2C[N@H+](Cc3ccc(NC(C)=O)cc3C)C[C@@H]2C1 ZINC001232189742 801810851 /nfs/dbraw/zinc/81/08/51/801810851.db2.gz MEMSIYPUPCCTPI-CALCHBBNSA-N 1 3 301.434 2.337 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001216499811 801981075 /nfs/dbraw/zinc/98/10/75/801981075.db2.gz SLZVOTADXSFCQB-RHSMWYFYSA-N 1 3 321.440 2.104 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCC2)C1 ZINC001216851786 802033423 /nfs/dbraw/zinc/03/34/23/802033423.db2.gz IIHSGHSOXAARHP-NVXWUHKLSA-N 1 3 309.498 2.343 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc(C(F)F)nc1 ZINC001218655716 802223002 /nfs/dbraw/zinc/22/30/02/802223002.db2.gz IFEWXNOCXDNQRJ-NSHDSACASA-N 1 3 300.353 2.017 20 0 DEADHO CCc1cc(Br)cc(NC(=O)[C@H](N)CCC[NH3+])c1 ZINC001218978526 802268003 /nfs/dbraw/zinc/26/80/03/802268003.db2.gz RCNZTEFMCCRVCF-GFCCVEGCSA-N 1 3 314.227 2.016 20 0 DEADHO Cc1cc(Cl)c(NC(=O)[C@@H](N)CCCC[NH+](C)C)cc1O ZINC001219033774 802276097 /nfs/dbraw/zinc/27/60/97/802276097.db2.gz QFUYRWBJMGIXRE-LBPRGKRZSA-N 1 3 313.829 2.352 20 0 DEADHO N[C@@H](CC1CCC1)C(=O)Nc1ccc(N2CCC[C@H]([NH3+])C2)cc1 ZINC001219236691 802301893 /nfs/dbraw/zinc/30/18/93/802301893.db2.gz YRURJZJLTUDLRH-YOEHRIQHSA-N 1 3 316.449 2.070 20 0 DEADHO C[C@@H](NC(=O)[C@@H](N)CCCC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001219996902 802400562 /nfs/dbraw/zinc/40/05/62/802400562.db2.gz FPZQFYKECXYHGE-LIFKJRKOSA-N 1 3 307.482 2.164 20 0 DEADHO O=C(N[C@H]1CCC[C@]2(CC[NH2+]C2)C1)c1cc2c(s1)CNCC2 ZINC001220168087 802419696 /nfs/dbraw/zinc/41/96/96/802419696.db2.gz XRIMPKMZRKXIGO-GUYCJALGSA-N 1 3 319.474 2.046 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)N(C)C[C@H]1CC[N@@H+]1CCC(C)C ZINC001234644656 802439829 /nfs/dbraw/zinc/43/98/29/802439829.db2.gz WJKQUXFOPKJHGZ-HZPDHXFCSA-N 1 3 315.477 2.245 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)N(C)C[C@H]1CC[N@H+]1CCC(C)C ZINC001234644656 802439835 /nfs/dbraw/zinc/43/98/35/802439835.db2.gz WJKQUXFOPKJHGZ-HZPDHXFCSA-N 1 3 315.477 2.245 20 0 DEADHO N[C@@H](CCCc1ccccc1)C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220777372 802496929 /nfs/dbraw/zinc/49/69/29/802496929.db2.gz OCWWBVGAURZMPV-UHOSZYNNSA-N 1 3 315.461 2.257 20 0 DEADHO CC(C)[C@@]1(C(=O)NCCc2cnc3cc[nH]cc2-3)CCC[NH2+]C1 ZINC001220866170 802506542 /nfs/dbraw/zinc/50/65/42/802506542.db2.gz RVONVCYLUWOUTJ-GOSISDBHSA-N 1 3 314.433 2.247 20 0 DEADHO CC(C)[C@@]1(C(=O)NCCc2c[nH]c3ccncc23)CCC[NH2+]C1 ZINC001220866170 802506545 /nfs/dbraw/zinc/50/65/45/802506545.db2.gz RVONVCYLUWOUTJ-GOSISDBHSA-N 1 3 314.433 2.247 20 0 DEADHO [NH3+][C@@H](CC1CCC1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001221063481 802525733 /nfs/dbraw/zinc/52/57/33/802525733.db2.gz XHKWSNBIQLFJLR-ROUUACIJSA-N 1 3 315.461 2.285 20 0 DEADHO N[C@@H](CC1CCC1)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001221063481 802525734 /nfs/dbraw/zinc/52/57/34/802525734.db2.gz XHKWSNBIQLFJLR-ROUUACIJSA-N 1 3 315.461 2.285 20 0 DEADHO N[C@@H](CC1CCC1)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001221063481 802525735 /nfs/dbraw/zinc/52/57/35/802525735.db2.gz XHKWSNBIQLFJLR-ROUUACIJSA-N 1 3 315.461 2.285 20 0 DEADHO CC(C)Cc1ccc([C@@H](C)NC(=O)[C@@H](N)CSCC[NH3+])cc1 ZINC001221295363 802550943 /nfs/dbraw/zinc/55/09/43/802550943.db2.gz GZXFSKPKAXBFRC-CJNGLKHVSA-N 1 3 323.506 2.082 20 0 DEADHO CCCN1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001221876863 802624070 /nfs/dbraw/zinc/62/40/70/802624070.db2.gz YPMPBWAXLJYHKF-ZACQAIPSSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)=CCC[C@H](C)CC[N@@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001222521520 802700487 /nfs/dbraw/zinc/70/04/87/802700487.db2.gz ULMRLVGZUHYCQP-QFBILLFUSA-N 1 3 319.493 2.171 20 0 DEADHO CC(C)=CCC[C@H](C)CC[N@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001222521520 802700495 /nfs/dbraw/zinc/70/04/95/802700495.db2.gz ULMRLVGZUHYCQP-QFBILLFUSA-N 1 3 319.493 2.171 20 0 DEADHO [NH3+]CC1(F)CCN(Cc2ccc(O)c(OCC3CC3)c2)CC1 ZINC001222548464 802705349 /nfs/dbraw/zinc/70/53/49/802705349.db2.gz NCAGUULUWXWVMW-UHFFFAOYSA-N 1 3 308.397 2.444 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001223458186 802792001 /nfs/dbraw/zinc/79/20/01/802792001.db2.gz ZRJMEGJVBCCZBC-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1CC[NH+](CC[C@H](C)F)CC1)N(C)C ZINC001223533808 802798462 /nfs/dbraw/zinc/79/84/62/802798462.db2.gz QGYLZVPRTKJBTF-HOCLYGCPSA-N 1 3 315.477 2.149 20 0 DEADHO CC(C)[NH+]1CCC(CNC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001224738741 802899992 /nfs/dbraw/zinc/89/99/92/802899992.db2.gz CTOALXKQVJVUAE-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1CC[NH+](CC2CCC2)CC1 ZINC001225541368 802979869 /nfs/dbraw/zinc/97/98/69/802979869.db2.gz AWDURWZGKFDKOE-HOTGVXAUSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/Cl)C1CC1 ZINC001226801445 803162907 /nfs/dbraw/zinc/16/29/07/803162907.db2.gz XIVFHXREYNQGCZ-JKPKCLDKSA-N 1 3 313.873 2.096 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(F)(F)F)N(C)C ZINC001227057178 803193850 /nfs/dbraw/zinc/19/38/50/803193850.db2.gz PNDHWIPVADUWNE-JHJVBQTASA-N 1 3 323.403 2.296 20 0 DEADHO CN(C)[C@@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)C1CC1 ZINC001227798432 803281248 /nfs/dbraw/zinc/28/12/48/803281248.db2.gz XWEFCQRTLQQEHL-QGZVFWFLSA-N 1 3 307.482 2.097 20 0 DEADHO C[NH+](C)[C@@H](C(=O)NC1CCN(Cc2ccsc2)CC1)C1CC1 ZINC001227816647 803284006 /nfs/dbraw/zinc/28/40/06/803284006.db2.gz GOJQROKGYIQANJ-MRXNPFEDSA-N 1 3 321.490 2.169 20 0 DEADHO CC/C=C\CC[NH+]1CCC(NC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001227818611 803284203 /nfs/dbraw/zinc/28/42/03/803284203.db2.gz XNTPERXTDXZGDD-KEGWNNHHSA-N 1 3 307.482 2.264 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)[C@H]1CCCN(C)C1 ZINC001334126010 1150203684 /nfs/dbraw/zinc/20/36/84/1150203684.db2.gz NKOSLHPOFCYBJN-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(C)[C@H]1CCCN(C)C1 ZINC001334126010 1150203690 /nfs/dbraw/zinc/20/36/90/1150203690.db2.gz NKOSLHPOFCYBJN-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO CCc1cccc(CN2CCC[C@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001369839453 1149265223 /nfs/dbraw/zinc/26/52/23/1149265223.db2.gz BOQWQHOHCNVCDT-SFHVURJKSA-N 1 3 317.477 2.281 20 0 DEADHO CC[C@H](C)C[NH2+][C@@H](CNC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001417991108 1167349122 /nfs/dbraw/zinc/34/91/22/1167349122.db2.gz JRTDEZPQOJAQLS-HOCLYGCPSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001418074033 1167396997 /nfs/dbraw/zinc/39/69/97/1167396997.db2.gz SQMNEUIQSUAVBU-KLHDSHLOSA-N 1 3 313.461 2.234 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001418169045 1167456454 /nfs/dbraw/zinc/45/64/54/1167456454.db2.gz JCTUDBKSDSWCRN-HUUCEWRRSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)[C@@H]1CC(=O)N(CN2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)C1 ZINC001335253902 1150390080 /nfs/dbraw/zinc/39/00/80/1150390080.db2.gz PZEKGVRWQQONPC-YLFCFFPRSA-N 1 3 307.482 2.111 20 0 DEADHO CC(C)(C)OC(=O)NOCCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001335567671 1150458213 /nfs/dbraw/zinc/45/82/13/1150458213.db2.gz KEPOFCFMJSJDAK-UONOGXRCSA-N 1 3 313.442 2.049 20 0 DEADHO CC(C)(C)OC(=O)NOCCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001335567671 1150458220 /nfs/dbraw/zinc/45/82/20/1150458220.db2.gz KEPOFCFMJSJDAK-UONOGXRCSA-N 1 3 313.442 2.049 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001420549739 1169774284 /nfs/dbraw/zinc/77/42/84/1169774284.db2.gz CUEYXHBUXPBUGO-QGZVFWFLSA-N 1 3 309.498 2.347 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001420549739 1169774291 /nfs/dbraw/zinc/77/42/91/1169774291.db2.gz CUEYXHBUXPBUGO-QGZVFWFLSA-N 1 3 309.498 2.347 20 0 DEADHO C[C@H](NC/C(Cl)=C/Cl)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001368332840 1148416051 /nfs/dbraw/zinc/41/60/51/1148416051.db2.gz JHUKZUXCCHIWLC-WJOSTPCTSA-N 1 3 322.280 2.084 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)C[C@@H]2CC[N@@H+]2CC2CC(C)(C)C2)C1 ZINC001368397548 1148432602 /nfs/dbraw/zinc/43/26/02/1148432602.db2.gz FZLFZMJXIHUFAE-RDJZCZTQSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)C[C@@H]2CC[N@H+]2CC2CC(C)(C)C2)C1 ZINC001368397548 1148432604 /nfs/dbraw/zinc/43/26/04/1148432604.db2.gz FZLFZMJXIHUFAE-RDJZCZTQSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)(C)[C@]1(C[NH3+])CCN(Cc2cccn(C(F)F)c2=O)C1 ZINC001575114957 1069369392 /nfs/dbraw/zinc/36/93/92/1069369392.db2.gz AQZIDMIHCPRKNQ-INIZCTEOSA-N 1 3 313.392 2.440 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC001575141680 1069377935 /nfs/dbraw/zinc/37/79/35/1069377935.db2.gz YALNJHSUNILRIG-CQSZACIVSA-N 1 3 320.437 2.018 20 0 DEADHO CC(C)(C)N1CC[C@H]1CNC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC001575141678 1069378319 /nfs/dbraw/zinc/37/83/19/1069378319.db2.gz YALNJHSUNILRIG-AWEZNQCLSA-N 1 3 320.437 2.018 20 0 DEADHO C[C@@H](c1cccc(-c2nnn[n-]2)c1)[N@H+](C)CC1CC[NH+](C)CC1 ZINC001603733070 1070065710 /nfs/dbraw/zinc/06/57/10/1070065710.db2.gz UHDHISGGUAOGHT-ZDUSSCGKSA-N 1 3 314.437 2.201 20 0 DEADHO C[C@@H](c1cccc(-c2nnn[n-]2)c1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001603733070 1070065724 /nfs/dbraw/zinc/06/57/24/1070065724.db2.gz UHDHISGGUAOGHT-ZDUSSCGKSA-N 1 3 314.437 2.201 20 0 DEADHO C[C@@H](c1cccc(-c2nn[n-]n2)c1)[N@H+](C)CC1CC[NH+](C)CC1 ZINC001603733070 1070065743 /nfs/dbraw/zinc/06/57/43/1070065743.db2.gz UHDHISGGUAOGHT-ZDUSSCGKSA-N 1 3 314.437 2.201 20 0 DEADHO C[C@@H](c1cccc(-c2nn[n-]n2)c1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001603733070 1070065760 /nfs/dbraw/zinc/06/57/60/1070065760.db2.gz UHDHISGGUAOGHT-ZDUSSCGKSA-N 1 3 314.437 2.201 20 0 DEADHO CC[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(-c2nnn[n-]2)cc1 ZINC001604056890 1070191229 /nfs/dbraw/zinc/19/12/29/1070191229.db2.gz XMHHZHBNMPGQKJ-GJZGRUSLSA-N 1 3 312.421 2.050 20 0 DEADHO CC[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(-c2nn[n-]n2)cc1 ZINC001604056890 1070191234 /nfs/dbraw/zinc/19/12/34/1070191234.db2.gz XMHHZHBNMPGQKJ-GJZGRUSLSA-N 1 3 312.421 2.050 20 0 DEADHO CC[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(-c2nnn[n-]2)cc1 ZINC001604056891 1070191347 /nfs/dbraw/zinc/19/13/47/1070191347.db2.gz XMHHZHBNMPGQKJ-HUUCEWRRSA-N 1 3 312.421 2.050 20 0 DEADHO CC[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(-c2nn[n-]n2)cc1 ZINC001604056891 1070191353 /nfs/dbraw/zinc/19/13/53/1070191353.db2.gz XMHHZHBNMPGQKJ-HUUCEWRRSA-N 1 3 312.421 2.050 20 0 DEADHO CN(CCCN(C)C(=O)C12CC[NH+](CC1)C2)Cc1ccsc1 ZINC001368562129 1148498265 /nfs/dbraw/zinc/49/82/65/1148498265.db2.gz LHNYQXYWNFOJNG-UHFFFAOYSA-N 1 3 321.490 2.124 20 0 DEADHO CC(C)=CC[NH+]1CCC(C)(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001499997839 1058420933 /nfs/dbraw/zinc/42/09/33/1058420933.db2.gz UPXMQMJFKQKWGD-MRXNPFEDSA-N 1 3 307.482 2.265 20 0 DEADHO CN(C)C1(C(=O)N[C@@H](C[NH2+]CC2CC2)C2CCCC2)CCC1 ZINC001500094202 1058485215 /nfs/dbraw/zinc/48/52/15/1058485215.db2.gz APAMERUOLOZKSI-INIZCTEOSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]C/C=C\Cl)CC1 ZINC001501722961 1059666931 /nfs/dbraw/zinc/66/69/31/1059666931.db2.gz LKWKCYWEPXTNNM-SCTOHVPUSA-N 1 3 315.889 2.344 20 0 DEADHO CC/C=C\CC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001505409191 1060544779 /nfs/dbraw/zinc/54/47/79/1060544779.db2.gz LDKJPDQPZCEIHB-QGZUEGPWSA-N 1 3 304.438 2.279 20 0 DEADHO CCCN(C)CC(=O)NC1CC(C[NH2+]Cc2ccccc2)C1 ZINC001505531305 1060682161 /nfs/dbraw/zinc/68/21/61/1060682161.db2.gz YNGGLLYXASMCNP-UHFFFAOYSA-N 1 3 303.450 2.013 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(F)cc1C ZINC001505735482 1060913767 /nfs/dbraw/zinc/91/37/67/1060913767.db2.gz MMAXCEPBKRAVLZ-GJZGRUSLSA-N 1 3 323.456 2.459 20 0 DEADHO Cc1ccc(F)c(C[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001505760042 1060937268 /nfs/dbraw/zinc/93/72/68/1060937268.db2.gz FSSQWUGUMYERFL-CABCVRRESA-N 1 3 323.456 2.457 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001477295351 1061161921 /nfs/dbraw/zinc/16/19/21/1061161921.db2.gz SNZHTVGXWAVPMW-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001477295351 1061161932 /nfs/dbraw/zinc/16/19/32/1061161932.db2.gz SNZHTVGXWAVPMW-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO CC(C)[C@H](CNC(=O)N[C@@H]1CCN(C)[C@H]1C)[NH+]1CCCCCC1 ZINC001479376545 1061423081 /nfs/dbraw/zinc/42/30/81/1061423081.db2.gz QCLTZXRVUJWGOC-BBWFWOEESA-N 1 3 324.513 2.279 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2csc(C)c2)[C@@H]1C ZINC001479723798 1061641352 /nfs/dbraw/zinc/64/13/52/1061641352.db2.gz RPVAZHDMKCIDGG-ZBFHGGJFSA-N 1 3 323.506 2.477 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2csc(C)c2)[C@@H]1C ZINC001479723798 1061641364 /nfs/dbraw/zinc/64/13/64/1061641364.db2.gz RPVAZHDMKCIDGG-ZBFHGGJFSA-N 1 3 323.506 2.477 20 0 DEADHO C[N@H+](CCCF)CCCNC(=O)C(C)(C)N1CCCCC1 ZINC001479772220 1061725494 /nfs/dbraw/zinc/72/54/94/1061725494.db2.gz MCTZWXUCBVYRQY-UHFFFAOYSA-N 1 3 301.450 2.049 20 0 DEADHO C[N@@H+](CCCF)CCCNC(=O)C(C)(C)N1CCCCC1 ZINC001479772220 1061725514 /nfs/dbraw/zinc/72/55/14/1061725514.db2.gz MCTZWXUCBVYRQY-UHFFFAOYSA-N 1 3 301.450 2.049 20 0 DEADHO CN(C/C=C\Cl)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001506960194 1062600496 /nfs/dbraw/zinc/60/04/96/1062600496.db2.gz HJGJAKWWJOXTOQ-BAQGIRSFSA-N 1 3 313.873 2.004 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]C/C=C\Cl)C1 ZINC001480360702 1062712629 /nfs/dbraw/zinc/71/26/29/1062712629.db2.gz ADTRUGRHCSDVQG-DGPIVGRDSA-N 1 3 313.873 2.051 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCCC1CCCC1 ZINC001480536150 1062997811 /nfs/dbraw/zinc/99/78/11/1062997811.db2.gz COEPYBGSWROMFQ-HOTGVXAUSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccsc2)[C@H]1C ZINC001507299693 1063053595 /nfs/dbraw/zinc/05/35/95/1063053595.db2.gz WOYHSCKYXAINTN-HIFRSBDPSA-N 1 3 309.479 2.167 20 0 DEADHO CN(CC(=O)N1CC[C@@H](C[NH2+]C/C=C\Cl)C1)CC(C)(C)C ZINC001480664848 1063158343 /nfs/dbraw/zinc/15/83/43/1063158343.db2.gz FQXZVJAOHRBXND-VSKVDJIOSA-N 1 3 315.889 2.155 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[C@H]1CCC[N@H+]1CC(C)C ZINC001480834106 1063425579 /nfs/dbraw/zinc/42/55/79/1063425579.db2.gz IXCUDWUWPKVXQT-HNNXBMFYSA-N 1 3 306.454 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[C@H]1CCC[N@@H+]1CC(C)C ZINC001480834106 1063425597 /nfs/dbraw/zinc/42/55/97/1063425597.db2.gz IXCUDWUWPKVXQT-HNNXBMFYSA-N 1 3 306.454 2.277 20 0 DEADHO CC[NH2+]C[C@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)(C)C ZINC001508026865 1063504359 /nfs/dbraw/zinc/50/43/59/1063504359.db2.gz XGTGGQZPMRATLX-SUMWQHHRSA-N 1 3 315.477 2.339 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)CC[NH2+]CCCCC(F)(F)F)C1 ZINC001493694635 1063922357 /nfs/dbraw/zinc/92/23/57/1063922357.db2.gz GZEAPQNBFARBAB-ZDUSSCGKSA-N 1 3 323.403 2.109 20 0 DEADHO CCCCC[N@@H+]1CC[C@H](N(CC)C(=O)CN2CC[C@@H](C)C2)C1 ZINC001494910513 1064566743 /nfs/dbraw/zinc/56/67/43/1064566743.db2.gz NIRHMKBKBSTSFL-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCCC[N@H+]1CC[C@H](N(CC)C(=O)CN2CC[C@@H](C)C2)C1 ZINC001494910513 1064566760 /nfs/dbraw/zinc/56/67/60/1064566760.db2.gz NIRHMKBKBSTSFL-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCF ZINC001568147931 1064671474 /nfs/dbraw/zinc/67/14/74/1064671474.db2.gz VDDMPDXXABUXTL-HZPDHXFCSA-N 1 3 313.461 2.190 20 0 DEADHO CC[C@H](C(=O)NCc1ccc(C[NH2+]CC(C)C)cc1)N(C)C ZINC001495490996 1064943039 /nfs/dbraw/zinc/94/30/39/1064943039.db2.gz ZNAKBWLRNUGDLA-QGZVFWFLSA-N 1 3 305.466 2.389 20 0 DEADHO CCN(CC[NH2+]Cc1ccc(C)cc1C)C(=O)CN1CCCC1 ZINC001568797523 1065123697 /nfs/dbraw/zinc/12/36/97/1065123697.db2.gz HDLDAJQZDCCQKP-UHFFFAOYSA-N 1 3 317.477 2.337 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+]C/C=C\CNC(=O)CN2CCCC2)c1 ZINC001568963556 1065215807 /nfs/dbraw/zinc/21/58/07/1065215807.db2.gz CZQOJKIZCYYPDA-CWIOURORSA-N 1 3 315.461 2.414 20 0 DEADHO CN(CCC[NH2+]CC1CC2(CCC2)C1)C(=O)CN1CCCC1 ZINC001569267262 1065403243 /nfs/dbraw/zinc/40/32/43/1065403243.db2.gz PIBJIGRIFYCGNQ-UHFFFAOYSA-N 1 3 307.482 2.101 20 0 DEADHO CC(C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCc1ccccc1F ZINC001496646614 1065616001 /nfs/dbraw/zinc/61/60/01/1065616001.db2.gz ZTNOPDTXBPNLAY-RDJZCZTQSA-N 1 3 321.440 2.008 20 0 DEADHO CC(C)[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1ccccc1F ZINC001496646614 1065616012 /nfs/dbraw/zinc/61/60/12/1065616012.db2.gz ZTNOPDTXBPNLAY-RDJZCZTQSA-N 1 3 321.440 2.008 20 0 DEADHO CCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001569825776 1065746337 /nfs/dbraw/zinc/74/63/37/1065746337.db2.gz IYYRANHGQSFMKP-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C)cc2)C1)N(C)C ZINC001368601978 1148518810 /nfs/dbraw/zinc/51/88/10/1148518810.db2.gz AYJKBLOHOAXTIO-KZNAEPCWSA-N 1 3 317.477 2.320 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC(C[NH3+])(c2ccccc2)CC1)N(C)C ZINC001575402044 1066289118 /nfs/dbraw/zinc/28/91/18/1066289118.db2.gz NUIWHDBXRYGIBQ-QGZVFWFLSA-N 1 3 317.477 2.092 20 0 DEADHO CC(C)[C@H](CN)C[NH2+]CCCCn1cc(Br)cn1 ZINC001575422775 1066296662 /nfs/dbraw/zinc/29/66/62/1066296662.db2.gz LZOYRWBHDFVPGY-GFCCVEGCSA-N 1 3 317.275 2.246 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)CN(C)C(C)C)C2)cc1 ZINC001368606669 1148521792 /nfs/dbraw/zinc/52/17/92/1148521792.db2.gz HXQBNJCLXHXTBY-IYARVYRRSA-N 1 3 317.477 2.320 20 0 DEADHO C[C@@H]1[C@H](NC(=O)c2ccccc2CC2CC[NH2+]CC2)CCN1C ZINC001576588203 1066639450 /nfs/dbraw/zinc/63/94/50/1066639450.db2.gz SJYBZGUJLZORTD-RDTXWAMCSA-N 1 3 315.461 2.051 20 0 DEADHO C[C@@H]1CCN(CCc2ccc3c(c2)OC(F)(F)O3)C[C@@H]1C[NH3+] ZINC001576731715 1066674319 /nfs/dbraw/zinc/67/43/19/1066674319.db2.gz NHITXHDJAZNFCP-YPMHNXCESA-N 1 3 312.360 2.467 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(CCc1ccccc1)CCN(C)C ZINC001577303656 1066810887 /nfs/dbraw/zinc/81/08/87/1066810887.db2.gz FDVIJCAIYQALTL-MSOLQXFVSA-N 1 3 317.477 2.007 20 0 DEADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC001577307189 1066813042 /nfs/dbraw/zinc/81/30/42/1066813042.db2.gz AABUXZJTIHGWPR-DJIMGWMZSA-N 1 3 303.450 2.011 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CC[C@@H](C)F ZINC001498658728 1066825757 /nfs/dbraw/zinc/82/57/57/1066825757.db2.gz QOPXEYNFIIBXFW-CABCVRRESA-N 1 3 301.450 2.047 20 0 DEADHO CCC[C@@H]1CN(C[C@@H]([NH3+])CCOC)CCN1Cc1ccccc1 ZINC001577381216 1066828817 /nfs/dbraw/zinc/82/88/17/1066828817.db2.gz QUJRNOVTNBKMEJ-RBUKOAKNSA-N 1 3 319.493 2.337 20 0 DEADHO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CC(C)(C)CN)C1 ZINC001577671970 1066902576 /nfs/dbraw/zinc/90/25/76/1066902576.db2.gz RJFYSDDDSFNBGZ-GFCCVEGCSA-N 1 3 323.403 2.094 20 0 DEADHO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](CC(C)(C)CN)C1 ZINC001577671970 1066902584 /nfs/dbraw/zinc/90/25/84/1066902584.db2.gz RJFYSDDDSFNBGZ-GFCCVEGCSA-N 1 3 323.403 2.094 20 0 DEADHO CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(CC(C)(C)C[NH3+])C1 ZINC001577671970 1066902590 /nfs/dbraw/zinc/90/25/90/1066902590.db2.gz RJFYSDDDSFNBGZ-GFCCVEGCSA-N 1 3 323.403 2.094 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC001577770305 1066924310 /nfs/dbraw/zinc/92/43/10/1066924310.db2.gz DPLMMINNWQLKPA-LMMKCTJWSA-N 1 3 315.461 2.036 20 0 DEADHO CCOC1CC2(C1)CCN(Cc1ccc(N3CC[NH2+]CC3)o1)C2 ZINC001578097504 1066983528 /nfs/dbraw/zinc/98/35/28/1066983528.db2.gz CIJZQXLHHZJLIT-UHFFFAOYSA-N 1 3 319.449 2.080 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC001578410020 1067088763 /nfs/dbraw/zinc/08/87/63/1067088763.db2.gz BTNNCJAJODMEAA-JFIYKMOQSA-N 1 3 315.461 2.110 20 0 DEADHO CN(C)C[C@@H]1CCc2ccccc2N1C(=O)CC1([NH3+])CCC1 ZINC001578412883 1067091595 /nfs/dbraw/zinc/09/15/95/1067091595.db2.gz WHDYPVZUQPVJFB-HNNXBMFYSA-N 1 3 301.434 2.168 20 0 DEADHO CN(C)CCN(Cc1ccsc1)C(=O)CC[NH2+]CC1CC1 ZINC001578418715 1067092087 /nfs/dbraw/zinc/09/20/87/1067092087.db2.gz PTRZYNCJTDKFPL-UHFFFAOYSA-N 1 3 309.479 2.028 20 0 DEADHO CN(Cc1cc(C(C)(C)C)[nH]n1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001578486422 1067118020 /nfs/dbraw/zinc/11/80/20/1067118020.db2.gz VSNOMSYSKHORAJ-HNNXBMFYSA-N 1 3 320.481 2.298 20 0 DEADHO C[NH2+]CC[C@@H]1CCCCN1CCC(=O)Nc1ccc(OC)cc1 ZINC001578676563 1067148276 /nfs/dbraw/zinc/14/82/76/1067148276.db2.gz GFLYVXSZMOAARH-INIZCTEOSA-N 1 3 319.449 2.488 20 0 DEADHO CCc1cccc(CN(C)C[C@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001483381166 1078493560 /nfs/dbraw/zinc/49/35/60/1078493560.db2.gz HHOJJHIRNKLRGR-HNNXBMFYSA-N 1 3 305.466 2.137 20 0 DEADHO CC(C)[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001499610401 1067276541 /nfs/dbraw/zinc/27/65/41/1067276541.db2.gz POVLGLWWARHTCS-SFHVURJKSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[N@H+]1CC[C@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001499610401 1067276551 /nfs/dbraw/zinc/27/65/51/1067276551.db2.gz POVLGLWWARHTCS-SFHVURJKSA-N 1 3 309.498 2.297 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)CC(C)(C)C[NH3+])C2)cc1 ZINC001579691043 1067405235 /nfs/dbraw/zinc/40/52/35/1067405235.db2.gz IWFOTWAKJGVWCK-MRXNPFEDSA-N 1 3 303.450 2.061 20 0 DEADHO Cn1ccc(-c2nc(CNC[C@@H]3CCC[NH2+]CC3)cs2)n1 ZINC001579971034 1067464018 /nfs/dbraw/zinc/46/40/18/1067464018.db2.gz JATBJPRMJLMWBX-GFCCVEGCSA-N 1 3 305.451 2.023 20 0 DEADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3cn4ccnc4s3)CC2)C1 ZINC001580200672 1067522552 /nfs/dbraw/zinc/52/25/52/1067522552.db2.gz SWXVIZVSNOABIS-HIFRSBDPSA-N 1 3 320.462 2.114 20 0 DEADHO NCC1(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)CC1 ZINC001580244099 1067537048 /nfs/dbraw/zinc/53/70/48/1067537048.db2.gz PFAKBWFGFJIDOT-OAHLLOKOSA-N 1 3 311.433 2.390 20 0 DEADHO NCC1(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)CC1 ZINC001580244099 1067537056 /nfs/dbraw/zinc/53/70/56/1067537056.db2.gz PFAKBWFGFJIDOT-OAHLLOKOSA-N 1 3 311.433 2.390 20 0 DEADHO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1ccc(C(F)F)nc1)CC2 ZINC001580257349 1067544107 /nfs/dbraw/zinc/54/41/07/1067544107.db2.gz KFJKTINBCGYRHU-CYBMUJFWSA-N 1 3 311.376 2.349 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CCCF)C1CC1 ZINC001483593447 1078616919 /nfs/dbraw/zinc/61/69/19/1078616919.db2.gz WTKYAXSRMJTQLP-HOTGVXAUSA-N 1 3 313.461 2.093 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@@H]2C(CNC(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC001570932274 1068162240 /nfs/dbraw/zinc/16/22/40/1068162240.db2.gz RQDJBSWINSKXQD-IQVOGUSBSA-N 1 3 319.493 2.121 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@@H]2C(CNC(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC001570932274 1068162244 /nfs/dbraw/zinc/16/22/44/1068162244.db2.gz RQDJBSWINSKXQD-IQVOGUSBSA-N 1 3 319.493 2.121 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@H]1CCN1CC/C=C/c1ccccc1 ZINC001483675719 1078775248 /nfs/dbraw/zinc/77/52/48/1078775248.db2.gz DLVCACMCONPRTI-WGLAMXGCSA-N 1 3 315.461 2.232 20 0 DEADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2C[C@@H](F)CN2)CC1 ZINC001573590010 1069044331 /nfs/dbraw/zinc/04/43/31/1069044331.db2.gz MOWQLVIMXPFABN-FRFSOERESA-N 1 3 319.424 2.028 20 0 DEADHO CC[C@@H]1CN(C(=O)NC[C@H](C)[NH+]2CCCCC2)[C@H](CC)CN1 ZINC001573717804 1069077665 /nfs/dbraw/zinc/07/76/65/1069077665.db2.gz HUSZPCJMIQVGRR-ARFHVFGLSA-N 1 3 310.486 2.033 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001267430853 1078850568 /nfs/dbraw/zinc/85/05/68/1078850568.db2.gz XBNGTMSVOJMSNT-INIZCTEOSA-N 1 3 309.429 2.044 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H](CC)CNC(=O)C(C)(C)N1CCCC1 ZINC001419224379 1078901889 /nfs/dbraw/zinc/90/18/89/1078901889.db2.gz PCDXJMPLIVAVFE-ZIAGYGMSSA-N 1 3 301.450 2.093 20 0 DEADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC2(C[NH2+]C2)CC1 ZINC001548565990 1072690068 /nfs/dbraw/zinc/69/00/68/1072690068.db2.gz FTOSOTGHJWXQRG-UHFFFAOYSA-N 1 3 313.445 2.108 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC001548577102 1072693474 /nfs/dbraw/zinc/69/34/74/1072693474.db2.gz BCKPNOSDVXBXAJ-YOEHRIQHSA-N 1 3 301.434 2.340 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001272573604 1078972227 /nfs/dbraw/zinc/97/22/27/1078972227.db2.gz JJSZVHHDILDIOR-INIZCTEOSA-N 1 3 316.449 2.281 20 0 DEADHO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@@]3(CN)C2)cc1 ZINC001549118147 1073030169 /nfs/dbraw/zinc/03/01/69/1073030169.db2.gz WMSUPVJJUQUZPB-KBXCAEBGSA-N 1 3 317.433 2.085 20 0 DEADHO COc1ccc(NC(=O)CC[N@H+]2C[C@@H]3CCC[C@@]3(CN)C2)cc1 ZINC001549118147 1073030177 /nfs/dbraw/zinc/03/01/77/1073030177.db2.gz WMSUPVJJUQUZPB-KBXCAEBGSA-N 1 3 317.433 2.085 20 0 DEADHO CC[N@H+](CCN1CCCCC1)C[C@@H]1[C@@H](C)CNCC1(F)F ZINC001235960221 1079059873 /nfs/dbraw/zinc/05/98/73/1079059873.db2.gz HJBAJFNBEWZTJH-LSDHHAIUSA-N 1 3 303.441 2.285 20 0 DEADHO CC[N@@H+](CCN1CCCCC1)C[C@@H]1[C@@H](C)CNCC1(F)F ZINC001235960221 1079059877 /nfs/dbraw/zinc/05/98/77/1079059877.db2.gz HJBAJFNBEWZTJH-LSDHHAIUSA-N 1 3 303.441 2.285 20 0 DEADHO CCN(CC[NH+]1CCCCC1)C[C@@H]1[C@@H](C)CNCC1(F)F ZINC001235960221 1079059883 /nfs/dbraw/zinc/05/98/83/1079059883.db2.gz HJBAJFNBEWZTJH-LSDHHAIUSA-N 1 3 303.441 2.285 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC1([NH2+]CC[C@@H](C)F)CC1 ZINC001483772569 1079102572 /nfs/dbraw/zinc/10/25/72/1079102572.db2.gz ALKPLSXOADOLJA-CABCVRRESA-N 1 3 313.461 2.236 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001550233113 1073523944 /nfs/dbraw/zinc/52/39/44/1073523944.db2.gz JKKBYGXOOITQKJ-AEFFLSMTSA-N 1 3 307.482 2.276 20 0 DEADHO CCN(CCF)CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001649437225 1079118697 /nfs/dbraw/zinc/11/86/97/1079118697.db2.gz OGLCXXJAWKIAPT-MRXNPFEDSA-N 1 3 313.461 2.191 20 0 DEADHO CCN(CCF)CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001649437225 1079118699 /nfs/dbraw/zinc/11/86/99/1079118699.db2.gz OGLCXXJAWKIAPT-MRXNPFEDSA-N 1 3 313.461 2.191 20 0 DEADHO CCc1ccc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@@H]2O)o1 ZINC001550422292 1073647381 /nfs/dbraw/zinc/64/73/81/1073647381.db2.gz RKBHPYXCWXVVMV-XDNAFOTISA-N 1 3 306.450 2.411 20 0 DEADHO CCc1ccc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@@H]2O)o1 ZINC001550422292 1073647386 /nfs/dbraw/zinc/64/73/86/1073647386.db2.gz RKBHPYXCWXVVMV-XDNAFOTISA-N 1 3 306.450 2.411 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NCc1cnn(C(C)C)c1)[C@@H](O)C2 ZINC001550422560 1073647555 /nfs/dbraw/zinc/64/75/55/1073647555.db2.gz YYMXWMCTSSXGBJ-OWSLCNJRSA-N 1 3 320.481 2.033 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NCc1cnn(C(C)C)c1)[C@@H](O)C2 ZINC001550422560 1073647556 /nfs/dbraw/zinc/64/75/56/1073647556.db2.gz YYMXWMCTSSXGBJ-OWSLCNJRSA-N 1 3 320.481 2.033 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]1C[NH2+]CCCC1CCC1 ZINC001483947309 1079201688 /nfs/dbraw/zinc/20/16/88/1079201688.db2.gz YLOWDUAURUQBFY-INIZCTEOSA-N 1 3 304.438 2.113 20 0 DEADHO C[C@H]1C[C@@H](C[NH2+]C2CCC(C)(N3CCOCC3)CC2)CCO1 ZINC001551382894 1074198800 /nfs/dbraw/zinc/19/88/00/1074198800.db2.gz YFJFPDAZNKVXCQ-VYMRPNJYSA-N 1 3 310.482 2.425 20 0 DEADHO C[C@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)c1nccn1C ZINC001551387787 1074200837 /nfs/dbraw/zinc/20/08/37/1074200837.db2.gz CNHWTLRFMZWTQG-UQPPLGOBSA-N 1 3 306.454 2.104 20 0 DEADHO C[C@H](NC1CCC(C)([NH+]2CCOCC2)CC1)c1nccn1C ZINC001551387787 1074200844 /nfs/dbraw/zinc/20/08/44/1074200844.db2.gz CNHWTLRFMZWTQG-UQPPLGOBSA-N 1 3 306.454 2.104 20 0 DEADHO C[C@@H]1NCCN(C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)[C@H]1C ZINC001551476836 1074233261 /nfs/dbraw/zinc/23/32/61/1074233261.db2.gz HUACJZBJEDNFMQ-WMTDPASSSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H](C(=O)N[C@@]1(C)CC[N@H+](CC2CC2)C1)N1CCCCCC1 ZINC001484060266 1079274275 /nfs/dbraw/zinc/27/42/75/1079274275.db2.gz HEVHNHQZPRRPNH-YJBOKZPZSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H](C(=O)N[C@@]1(C)CC[N@@H+](CC2CC2)C1)N1CCCCCC1 ZINC001484060266 1079274279 /nfs/dbraw/zinc/27/42/79/1079274279.db2.gz HEVHNHQZPRRPNH-YJBOKZPZSA-N 1 3 307.482 2.242 20 0 DEADHO N[C@@H](CC1CCCCC1)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001649852788 1079266038 /nfs/dbraw/zinc/26/60/38/1079266038.db2.gz RVHIRQJFRMDLLQ-INIZCTEOSA-N 1 3 307.482 2.276 20 0 DEADHO CN(C)Cc1cccc(NC(=O)[C@H]2C[C@@H]2C2CC[NH2+]CC2)c1 ZINC001552167076 1074482304 /nfs/dbraw/zinc/48/23/04/1074482304.db2.gz KHZFIJLIOHMILR-SJORKVTESA-N 1 3 301.434 2.322 20 0 DEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCO[C@H]2c2cnn(C)c2)C1 ZINC001552381505 1074560517 /nfs/dbraw/zinc/56/05/17/1074560517.db2.gz PWOFKSUXWGXOSK-BZZMCLGOSA-N 1 3 320.481 2.350 20 0 DEADHO [NH3+][C@H]1C[C@@H](c2ccccc2)N(C(=O)c2cccc3c2CNC3)C1 ZINC001552433152 1074576076 /nfs/dbraw/zinc/57/60/76/1074576076.db2.gz GEHVAZJLGATANW-YJBOKZPZSA-N 1 3 307.397 2.204 20 0 DEADHO [NH3+]Cc1ccccc1NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC001646831175 1074639392 /nfs/dbraw/zinc/63/93/92/1074639392.db2.gz BHMQXZVTAQMVKJ-KRWDZBQOSA-N 1 3 324.428 2.391 20 0 DEADHO CC1(C)[C@H](NC(=O)[C@@H](N)CC2CCCCC2)[C@H]2CCC[NH2+][C@H]21 ZINC001649980175 1079335631 /nfs/dbraw/zinc/33/56/31/1079335631.db2.gz XHSOSMXPHWCVEW-CAOSSQGBSA-N 1 3 307.482 2.177 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC001553548744 1074912472 /nfs/dbraw/zinc/91/24/72/1074912472.db2.gz IXYIMXNSJOEDMN-HZPDHXFCSA-N 1 3 322.497 2.082 20 0 DEADHO CCCN(C)CC(=O)NC[C@@]1(C)CCC[N@H+](CCC2CC2)C1 ZINC001484175964 1079347018 /nfs/dbraw/zinc/34/70/18/1079347018.db2.gz YVHQTXRIMYWRGH-GOSISDBHSA-N 1 3 309.498 2.347 20 0 DEADHO CCCN(C)CC(=O)NC[C@@]1(C)CCC[N@@H+](CCC2CC2)C1 ZINC001484175964 1079347020 /nfs/dbraw/zinc/34/70/20/1079347020.db2.gz YVHQTXRIMYWRGH-GOSISDBHSA-N 1 3 309.498 2.347 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC001414174831 1079365640 /nfs/dbraw/zinc/36/56/40/1079365640.db2.gz QFXSATQZXWLSHO-JDEYZFBPSA-N 1 3 308.466 2.177 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@@H]1CNCCF)[NH+](CC)CC ZINC001566947545 1075396105 /nfs/dbraw/zinc/39/61/05/1075396105.db2.gz AEQHXNYHVLCFIL-HUUCEWRRSA-N 1 3 301.450 2.047 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CCC1 ZINC001369299401 1148895177 /nfs/dbraw/zinc/89/51/77/1148895177.db2.gz XXQVKCZKQVHWLI-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(-c2nnn[n-]2)c1 ZINC001589980191 1076541560 /nfs/dbraw/zinc/54/15/60/1076541560.db2.gz ZFTQYPNYDYLFMP-OKSWLAIDSA-N 1 3 312.421 2.048 20 0 DEADHO C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(-c2nn[n-]n2)c1 ZINC001589980191 1076541565 /nfs/dbraw/zinc/54/15/65/1076541565.db2.gz ZFTQYPNYDYLFMP-OKSWLAIDSA-N 1 3 312.421 2.048 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC001650413644 1079603127 /nfs/dbraw/zinc/60/31/27/1079603127.db2.gz QCXKTENWTGDNHO-BZUAXINKSA-N 1 3 307.482 2.369 20 0 DEADHO Cc1ccccc1C[NH2+]CCN(C)C(=O)CN1CCC(C)CC1 ZINC001481294607 1079674913 /nfs/dbraw/zinc/67/49/13/1079674913.db2.gz CDEHXBWADSXHNU-UHFFFAOYSA-N 1 3 317.477 2.275 20 0 DEADHO C[C@H]([NH2+]CCN(C)C(=O)CN1CCCC1)c1cccc(F)c1 ZINC001481314221 1079709313 /nfs/dbraw/zinc/70/93/13/1079709313.db2.gz BKSBQMNMLCSRGM-AWEZNQCLSA-N 1 3 307.413 2.031 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2ccccc2C)CCC1 ZINC001484660200 1079716195 /nfs/dbraw/zinc/71/61/95/1079716195.db2.gz XTNGUKVFKIPJTR-UHFFFAOYSA-N 1 3 317.477 2.465 20 0 DEADHO CCC1([NH2+]C/C=C\Cl)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001484810193 1079802558 /nfs/dbraw/zinc/80/25/58/1079802558.db2.gz RLSMLRSNOGMXJX-UQYHUFHVSA-N 1 3 313.873 2.194 20 0 DEADHO CC[C@@H](C(=O)N1CCC(C)([NH2+]CCCCCF)CC1)N(C)C ZINC001484926400 1079858297 /nfs/dbraw/zinc/85/82/97/1079858297.db2.gz AVQJEDHPTYPPGW-HNNXBMFYSA-N 1 3 315.477 2.437 20 0 DEADHO CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001481451283 1079875503 /nfs/dbraw/zinc/87/55/03/1079875503.db2.gz PWKXTJPZSIPZER-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001481451283 1079875506 /nfs/dbraw/zinc/87/55/06/1079875506.db2.gz PWKXTJPZSIPZER-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]1CCN(CC(=O)NC2CC(C[NH2+]CCC(C)(C)C)C2)C1 ZINC001485102762 1079974883 /nfs/dbraw/zinc/97/48/83/1079974883.db2.gz RHSJTVKRNMKZGE-FHERZECASA-N 1 3 309.498 2.249 20 0 DEADHO CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@@H]2C1 ZINC001656832373 1080127520 /nfs/dbraw/zinc/12/75/20/1080127520.db2.gz APDHGRJBFFCEBE-IKGGRYGDSA-N 1 3 309.498 2.297 20 0 DEADHO CCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@@H]2C1 ZINC001656832373 1080127523 /nfs/dbraw/zinc/12/75/23/1080127523.db2.gz APDHGRJBFFCEBE-IKGGRYGDSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001268193591 1080179475 /nfs/dbraw/zinc/17/94/75/1080179475.db2.gz WCRDZUODDGCVKV-GOEBONIOSA-N 1 3 306.454 2.215 20 0 DEADHO CC(C)N(C)CC(=O)NC1(C[NH2+]C/C=C/Cl)CCCCC1 ZINC001485459423 1080227939 /nfs/dbraw/zinc/22/79/39/1080227939.db2.gz QMPMJZSXVBFANC-JXMROGBWSA-N 1 3 315.889 2.488 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]C/C=C/Cl)CCC1 ZINC001268278242 1080258380 /nfs/dbraw/zinc/25/83/80/1080258380.db2.gz NEZMVQQMLUZEPG-KGYRSLOKSA-N 1 3 313.873 2.098 20 0 DEADHO CC(C)=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001485612919 1080332617 /nfs/dbraw/zinc/33/26/17/1080332617.db2.gz TWWUDXJAUSRKPQ-OSYLJGHBSA-N 1 3 319.493 2.121 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001485612919 1080332625 /nfs/dbraw/zinc/33/26/25/1080332625.db2.gz TWWUDXJAUSRKPQ-OSYLJGHBSA-N 1 3 319.493 2.121 20 0 DEADHO CC(C)=CC[N@@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001485758499 1080410914 /nfs/dbraw/zinc/41/09/14/1080410914.db2.gz MXCUZUKYXVGGBB-UHFFFAOYSA-N 1 3 307.482 2.360 20 0 DEADHO CC(C)=CC[N@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001485758499 1080410917 /nfs/dbraw/zinc/41/09/17/1080410917.db2.gz MXCUZUKYXVGGBB-UHFFFAOYSA-N 1 3 307.482 2.360 20 0 DEADHO CN(C/C=C/Cl)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001485766229 1080421877 /nfs/dbraw/zinc/42/18/77/1080421877.db2.gz CVAYTFLAAFQLBJ-RRFAQUSLSA-N 1 3 313.873 2.004 20 0 DEADHO CN(C/C=C/Cl)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001485766229 1080421881 /nfs/dbraw/zinc/42/18/81/1080421881.db2.gz CVAYTFLAAFQLBJ-RRFAQUSLSA-N 1 3 313.873 2.004 20 0 DEADHO CC/C=C/CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001481749137 1080437032 /nfs/dbraw/zinc/43/70/32/1080437032.db2.gz OVLFZSXKVIPUBG-IBHATUTGSA-N 1 3 309.498 2.462 20 0 DEADHO CC/C=C/CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001481749137 1080437033 /nfs/dbraw/zinc/43/70/33/1080437033.db2.gz OVLFZSXKVIPUBG-IBHATUTGSA-N 1 3 309.498 2.462 20 0 DEADHO C[C@H]1CCN(CC(=O)NC2(C[NH2+]C/C=C\Cl)CCCC2)C1 ZINC001481903809 1080592066 /nfs/dbraw/zinc/59/20/66/1080592066.db2.gz JUIRFFZNNQXKBQ-VCDPDADVSA-N 1 3 313.873 2.099 20 0 DEADHO CC(C)C[NH2+]C[C@@](C)(NC(=O)[C@H]1CCCN1C(C)C)C1CC1 ZINC001481930703 1080619599 /nfs/dbraw/zinc/61/95/99/1080619599.db2.gz IKHKRKXMRPXJLW-SJLPKXTDSA-N 1 3 309.498 2.390 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+]CCCCCF)C2)CCC1 ZINC001662641348 1080626204 /nfs/dbraw/zinc/62/62/04/1080626204.db2.gz RGOBHWPVSVBNCU-HNNXBMFYSA-N 1 3 313.461 2.049 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]CCC(C)(C)C)C2)C1 ZINC001662686048 1080634738 /nfs/dbraw/zinc/63/47/38/1080634738.db2.gz VLISJHUMZLRLSN-CVEARBPZSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@H](C(=O)N[C@](C)(C[NH2+]CCF)C1CC1)N1CCCCCC1 ZINC001481945160 1080634878 /nfs/dbraw/zinc/63/48/78/1080634878.db2.gz WUKOYQADMLMQRG-RHSMWYFYSA-N 1 3 313.461 2.095 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CNCc1ccsc1 ZINC001268547455 1080743178 /nfs/dbraw/zinc/74/31/78/1080743178.db2.gz HCKQMUIVCSRFMN-MJSXRHKHSA-N 1 3 321.490 2.385 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CNCc1ccsc1 ZINC001268547455 1080743187 /nfs/dbraw/zinc/74/31/87/1080743187.db2.gz HCKQMUIVCSRFMN-MJSXRHKHSA-N 1 3 321.490 2.385 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[N@H+](CC3=CCCCC3)C2)C1 ZINC001663620079 1080789603 /nfs/dbraw/zinc/78/96/03/1080789603.db2.gz KDPFCCCNJUMUML-SJLPKXTDSA-N 1 3 319.493 2.267 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001663620079 1080789607 /nfs/dbraw/zinc/78/96/07/1080789607.db2.gz KDPFCCCNJUMUML-SJLPKXTDSA-N 1 3 319.493 2.267 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)CC[NH2+]CC1CCC(C)CC1)N(C)C ZINC001663996505 1080846704 /nfs/dbraw/zinc/84/67/04/1080846704.db2.gz XACSZJRWZSGEHV-JCYILVPMSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[NH2+]Cc1cccc(Cl)c1 ZINC001664394713 1080903824 /nfs/dbraw/zinc/90/38/24/1080903824.db2.gz GOXQRGRSYFIMFP-UHFFFAOYSA-N 1 3 311.857 2.228 20 0 DEADHO C[C@H](C[NH2+]C/C=C\Cl)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001268661664 1080921915 /nfs/dbraw/zinc/92/19/15/1080921915.db2.gz DSTLZWGZMXCKEW-BRDDXIKOSA-N 1 3 319.852 2.046 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCCCCF)C1 ZINC001665549784 1081039203 /nfs/dbraw/zinc/03/92/03/1081039203.db2.gz ZOHDDKOSHFORQX-HZPDHXFCSA-N 1 3 313.461 2.191 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCCCCF)C1 ZINC001665549784 1081039208 /nfs/dbraw/zinc/03/92/08/1081039208.db2.gz ZOHDDKOSHFORQX-HZPDHXFCSA-N 1 3 313.461 2.191 20 0 DEADHO C[C@@H]([NH2+]CCCF)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001667332654 1081239414 /nfs/dbraw/zinc/23/94/14/1081239414.db2.gz OVAKHMUYJWNJQX-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H](CC[NH2+]Cc1ccccc1F)NC(=O)C1(N(C)C)CCC1 ZINC001668088235 1081314227 /nfs/dbraw/zinc/31/42/27/1081314227.db2.gz WLMYIQALVUKTBJ-AWEZNQCLSA-N 1 3 321.440 2.294 20 0 DEADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(CC2CCCCC2)C1 ZINC000950363379 1081317784 /nfs/dbraw/zinc/31/77/84/1081317784.db2.gz FPDMTGONFVSXQT-CRAIPNDOSA-N 1 3 321.509 2.440 20 0 DEADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(CC2CCCCC2)C1 ZINC000950363379 1081317788 /nfs/dbraw/zinc/31/77/88/1081317788.db2.gz FPDMTGONFVSXQT-CRAIPNDOSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H](CC[NH2+]CCC2CC2)C1)N(C)C ZINC001269770318 1081362602 /nfs/dbraw/zinc/36/26/02/1081362602.db2.gz JCKVLZFTHREUOK-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CCN(CC[NH2+]Cc1ccccc1)C(=O)CN1CCC(C)CC1 ZINC001668597023 1081372236 /nfs/dbraw/zinc/37/22/36/1081372236.db2.gz QFUVWDINMZVXDI-UHFFFAOYSA-N 1 3 317.477 2.357 20 0 DEADHO CC[C@@H](C(=O)N1CCC(CC[NH2+]CC2CCC2)CC1)N(C)C ZINC001269935848 1081404592 /nfs/dbraw/zinc/40/45/92/1081404592.db2.gz YYALVVZJHHVBJD-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001672315154 1081581869 /nfs/dbraw/zinc/58/18/69/1081581869.db2.gz HRRHFTGWDFHENU-DZEZYYDTSA-N 1 3 318.465 2.383 20 0 DEADHO CCCCC[NH2+]CC[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001672863702 1081713916 /nfs/dbraw/zinc/71/39/16/1081713916.db2.gz RIVKRKFQGNVANO-IRXDYDNUSA-N 1 3 309.498 2.347 20 0 DEADHO CCCCC[NH+]1CC2(C1)CCN(C(=O)[C@H](CC)N(C)C)CC2 ZINC001270863730 1081766658 /nfs/dbraw/zinc/76/66/58/1081766658.db2.gz KZPCESBDPAXUCH-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC001648969305 1081973241 /nfs/dbraw/zinc/97/32/41/1081973241.db2.gz NSCHIWYBBYVYEE-OGCZYDBJSA-N 1 3 313.445 2.079 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H](C[N@H+](C)CC=C(C)C)C1)N(C)C ZINC001266459011 1082050521 /nfs/dbraw/zinc/05/05/21/1082050521.db2.gz IDRMQRCTJAEILO-IAGOWNOFSA-N 1 3 309.498 2.463 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC=C(C)C)C1)N(C)C ZINC001266459011 1082050529 /nfs/dbraw/zinc/05/05/29/1082050529.db2.gz IDRMQRCTJAEILO-IAGOWNOFSA-N 1 3 309.498 2.463 20 0 DEADHO CN(CC[NH2+]CCC1CCCCCC1)C(=O)[C@H]1CCCN1C ZINC001266659841 1082256300 /nfs/dbraw/zinc/25/63/00/1082256300.db2.gz IHYAOUOMHFLAHC-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@H](F)CC[NH2+]C[C@@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001266870918 1082418147 /nfs/dbraw/zinc/41/81/47/1082418147.db2.gz QJYQHUDFCAPFSN-CABCVRRESA-N 1 3 313.461 2.190 20 0 DEADHO C[NH+](C)CCC(=O)NC/C=C/CN[C@H]1CCc2c1cccc2F ZINC001483054862 1082671106 /nfs/dbraw/zinc/67/11/06/1082671106.db2.gz SJCDZGQEFKRXPA-IDOMTICXSA-N 1 3 319.424 2.027 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccsc1 ZINC001483197590 1082800545 /nfs/dbraw/zinc/80/05/45/1082800545.db2.gz MYAIRZQVMJTSLT-UKRRQHHQSA-N 1 3 309.479 2.217 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N(C)CC(C)(C)C[NH2+]CC1CC1 ZINC001409438163 1082890681 /nfs/dbraw/zinc/89/06/81/1082890681.db2.gz DQZDBNQROOPCMA-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[N@H+](C)[C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001409617960 1082988942 /nfs/dbraw/zinc/98/89/42/1082988942.db2.gz NOAHQLNSXSKUTP-RHSMWYFYSA-N 1 3 315.477 2.291 20 0 DEADHO CC(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001409617960 1082988945 /nfs/dbraw/zinc/98/89/45/1082988945.db2.gz NOAHQLNSXSKUTP-RHSMWYFYSA-N 1 3 315.477 2.291 20 0 DEADHO C[NH+]1CCC(C)(CN2C[C@@H]3CN(C4CCCC4)C[C@H](C2)O3)CC1 ZINC001276453950 1083444282 /nfs/dbraw/zinc/44/42/82/1083444282.db2.gz PVATVRGJTLUAKL-HDICACEKSA-N 1 3 321.509 2.046 20 0 DEADHO Cc1cncc(CN[C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)c1 ZINC001276624429 1083520042 /nfs/dbraw/zinc/52/00/42/1083520042.db2.gz XSJNAADMTBHRHK-MOPGFXCFSA-N 1 3 316.493 2.476 20 0 DEADHO Cc1ncccc1CN1CCC[C@]2(CC[N@@H+](CCN(C)C)C2)C1 ZINC001276623310 1083520771 /nfs/dbraw/zinc/52/07/71/1083520771.db2.gz RQKWZLZZMMCWCE-LJQANCHMSA-N 1 3 316.493 2.240 20 0 DEADHO Cc1ncccc1CN1CCC[C@]2(CC[N@H+](CCN(C)C)C2)C1 ZINC001276623310 1083520777 /nfs/dbraw/zinc/52/07/77/1083520777.db2.gz RQKWZLZZMMCWCE-LJQANCHMSA-N 1 3 316.493 2.240 20 0 DEADHO CCCC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1CC ZINC001276737897 1083578940 /nfs/dbraw/zinc/57/89/40/1083578940.db2.gz CNLXGJGZEPIMDG-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1cccc(CCN2CC3(C2)CC[N@@H+](CCN(C)C)C3)c1 ZINC001276739730 1083580784 /nfs/dbraw/zinc/58/07/84/1083580784.db2.gz VKMHXYPQZRZRLP-UHFFFAOYSA-N 1 3 301.478 2.107 20 0 DEADHO Cc1cccc(CCN2CC3(C2)CC[N@H+](CCN(C)C)C3)c1 ZINC001276739730 1083580793 /nfs/dbraw/zinc/58/07/93/1083580793.db2.gz VKMHXYPQZRZRLP-UHFFFAOYSA-N 1 3 301.478 2.107 20 0 DEADHO CN1CC[C@]2(C1)CCC[N@H+](Cc1ccc(-n3nccn3)cc1)C2 ZINC001277254008 1083873671 /nfs/dbraw/zinc/87/36/71/1083873671.db2.gz MFOFJRPIBVYGLS-SFHVURJKSA-N 1 3 311.433 2.185 20 0 DEADHO CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(-n3nccn3)cc1)C2 ZINC001277254008 1083873681 /nfs/dbraw/zinc/87/36/81/1083873681.db2.gz MFOFJRPIBVYGLS-SFHVURJKSA-N 1 3 311.433 2.185 20 0 DEADHO C(N[C@]12CC[C@]([NH2+]C3CCCC3)(C1)CCC2)[C@H]1COCCO1 ZINC001277526940 1084017840 /nfs/dbraw/zinc/01/78/40/1084017840.db2.gz RNKZMUDQTZYFOT-KSZLIROESA-N 1 3 308.466 2.369 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])c1 ZINC001649112061 1084132531 /nfs/dbraw/zinc/13/25/31/1084132531.db2.gz RGPAWVGHMGFYEQ-FUHWJXTLSA-N 1 3 301.434 2.092 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)NCc2ccsc2)C1 ZINC001491561023 1084147590 /nfs/dbraw/zinc/14/75/90/1084147590.db2.gz WUIHRONIDDUPEL-GOEBONIOSA-N 1 3 323.506 2.464 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](C)NCc2ccsc2)C1 ZINC001491561023 1084147596 /nfs/dbraw/zinc/14/75/96/1084147596.db2.gz WUIHRONIDDUPEL-GOEBONIOSA-N 1 3 323.506 2.464 20 0 DEADHO CC(=O)NCCN1CCC2(CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001277910702 1084243178 /nfs/dbraw/zinc/24/31/78/1084243178.db2.gz UNTFWCJFRQWYOX-UHFFFAOYSA-N 1 3 307.482 2.243 20 0 DEADHO CC(=O)NCCN1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001277910702 1084243187 /nfs/dbraw/zinc/24/31/87/1084243187.db2.gz UNTFWCJFRQWYOX-UHFFFAOYSA-N 1 3 307.482 2.243 20 0 DEADHO OC[C@@]12C[NH2+]C[C@@H]1CN(CCC13CC4CC(CC(C4)C1)C3)C2 ZINC001235001487 1084266914 /nfs/dbraw/zinc/26/69/14/1084266914.db2.gz MADKGXAGPMVRJQ-JTRADQNDSA-N 1 3 304.478 2.107 20 0 DEADHO c1ccc2c(c1)CC(CN1CCOC[C@@]3(CCC[NH2+]C3)C1)C2 ZINC001235005584 1084269053 /nfs/dbraw/zinc/26/90/53/1084269053.db2.gz FMQHADFABPFGIN-LJQANCHMSA-N 1 3 300.446 2.103 20 0 DEADHO c1ccc2c(c1)CC(CN1CCOC[C@]3(CCC[NH2+]C3)C1)C2 ZINC001235005582 1084269241 /nfs/dbraw/zinc/26/92/41/1084269241.db2.gz FMQHADFABPFGIN-IBGZPJMESA-N 1 3 300.446 2.103 20 0 DEADHO CCOC(=O)c1ccc(CCCN2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235033507 1084281297 /nfs/dbraw/zinc/28/12/97/1084281297.db2.gz XLQNAQWSUBXWTJ-IBGZPJMESA-N 1 3 316.445 2.481 20 0 DEADHO FC1(F)CCNC[C@]12CC[N@H+](Cc1ccc3c(c1)NCC3)C2 ZINC001235090082 1084307185 /nfs/dbraw/zinc/30/71/85/1084307185.db2.gz AGLPOEJRAMXRKH-INIZCTEOSA-N 1 3 307.388 2.475 20 0 DEADHO FC1(F)CCNC[C@]12CC[N@@H+](Cc1ccc3c(c1)NCC3)C2 ZINC001235090082 1084307192 /nfs/dbraw/zinc/30/71/92/1084307192.db2.gz AGLPOEJRAMXRKH-INIZCTEOSA-N 1 3 307.388 2.475 20 0 DEADHO C[C@H](F)CC[NH2+][C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001491457454 1084325734 /nfs/dbraw/zinc/32/57/34/1084325734.db2.gz SSTYLEJHARDDMJ-KBPBESRZSA-N 1 3 301.450 2.093 20 0 DEADHO C[C@@H](CC[NH2+]CCc1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001272832337 1084340698 /nfs/dbraw/zinc/34/06/98/1084340698.db2.gz ZYRCGBFMAUEMPI-INIZCTEOSA-N 1 3 317.477 2.198 20 0 DEADHO CC(C)CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C1CC1)N(C)C ZINC001235356664 1084405105 /nfs/dbraw/zinc/40/51/05/1084405105.db2.gz XHBVGWCOUKBGMX-IAGOWNOFSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C1CC1)N(C)C ZINC001235356664 1084405109 /nfs/dbraw/zinc/40/51/09/1084405109.db2.gz XHBVGWCOUKBGMX-IAGOWNOFSA-N 1 3 309.498 2.296 20 0 DEADHO CC1(C)[NH2+]C[C@@H](CN2CCN[C@@H](c3ccc(Cl)cc3)C2)O1 ZINC001235787766 1084531599 /nfs/dbraw/zinc/53/15/99/1084531599.db2.gz HAKSJDQLSXAYEU-LSDHHAIUSA-N 1 3 309.841 2.011 20 0 DEADHO c1ccc([C@@H]2CN(C[C@@H]3Cc4ccccc4C[NH2+]3)CCN2)cc1 ZINC001235858967 1084551202 /nfs/dbraw/zinc/55/12/02/1084551202.db2.gz KMNVVMNTGZADOR-PMACEKPBSA-N 1 3 307.441 2.347 20 0 DEADHO CC[NH2+][C@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C12CCC2 ZINC001078819831 1084899407 /nfs/dbraw/zinc/89/94/07/1084899407.db2.gz RWQQMKYYWIURMA-IRXDYDNUSA-N 1 3 315.461 2.399 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC2CC(C)(C)C2)C[C@H]1C ZINC001486131589 1085080009 /nfs/dbraw/zinc/08/00/09/1085080009.db2.gz WJKOBQWXTWAISS-ZBFHGGJFSA-N 1 3 309.498 2.343 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccccc1 ZINC000960489257 1085310619 /nfs/dbraw/zinc/31/06/19/1085310619.db2.gz TUAFEROOHARIMW-MSOLQXFVSA-N 1 3 315.461 2.204 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccccc1 ZINC000960489257 1085310626 /nfs/dbraw/zinc/31/06/26/1085310626.db2.gz TUAFEROOHARIMW-MSOLQXFVSA-N 1 3 315.461 2.204 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961185772 1085628130 /nfs/dbraw/zinc/62/81/30/1085628130.db2.gz QCEGTEDQECQLEM-DLBZAZTESA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961185772 1085628138 /nfs/dbraw/zinc/62/81/38/1085628138.db2.gz QCEGTEDQECQLEM-DLBZAZTESA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@H](C(=O)N1CCC([C@H]2CCC[N@H+](CC)C2)CC1)N(C)C ZINC000961380170 1085712227 /nfs/dbraw/zinc/71/22/27/1085712227.db2.gz ZHIUKVHKHNVAOZ-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+](CC)C2)CC1)N(C)C ZINC000961380170 1085712233 /nfs/dbraw/zinc/71/22/33/1085712233.db2.gz ZHIUKVHKHNVAOZ-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc(C)nc1C)N(C)C ZINC001273019584 1085983011 /nfs/dbraw/zinc/98/30/11/1085983011.db2.gz YBHSDQTVTRSNJD-PBHICJAKSA-N 1 3 320.481 2.023 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+][C@H](C)c1ccccc1C ZINC001128533068 1086186156 /nfs/dbraw/zinc/18/61/56/1086186156.db2.gz FVJVGWAAZRULGB-NVXWUHKLSA-N 1 3 323.456 2.442 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC2CC(C[NH2+]CC3CC3)C2)c1 ZINC000962806584 1086244690 /nfs/dbraw/zinc/24/46/90/1086244690.db2.gz BZMRGIPWYSRFJN-UHFFFAOYSA-N 1 3 315.461 2.256 20 0 DEADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000700798734 1086333481 /nfs/dbraw/zinc/33/34/81/1086333481.db2.gz BKHZIOJYNABBQN-HUUCEWRRSA-N 1 3 311.470 2.317 20 0 DEADHO C[N@@H+]1CCCC[C@H](CN[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000700798734 1086333491 /nfs/dbraw/zinc/33/34/91/1086333491.db2.gz BKHZIOJYNABBQN-HUUCEWRRSA-N 1 3 311.470 2.317 20 0 DEADHO C[N@H+]1CCCC[C@H](CN[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000700798734 1086333503 /nfs/dbraw/zinc/33/35/03/1086333503.db2.gz BKHZIOJYNABBQN-HUUCEWRRSA-N 1 3 311.470 2.317 20 0 DEADHO CCc1ccccc1CC[NH2+]CCCNC(=O)CN(CC)CC ZINC001168756470 1086522749 /nfs/dbraw/zinc/52/27/49/1086522749.db2.gz ZPNDHJDROIFYHN-UHFFFAOYSA-N 1 3 319.493 2.229 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C ZINC001114794603 1088531341 /nfs/dbraw/zinc/53/13/41/1088531341.db2.gz LTJNHMKBKORPBX-LTIDMASMSA-N 1 3 309.498 2.055 20 0 DEADHO CCC(CC)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C ZINC001114794603 1088531356 /nfs/dbraw/zinc/53/13/56/1088531356.db2.gz LTJNHMKBKORPBX-LTIDMASMSA-N 1 3 309.498 2.055 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC3=CCCCC3)C[C@H]21)N(C)C ZINC001114794481 1088531656 /nfs/dbraw/zinc/53/16/56/1088531656.db2.gz JGUAFNYBGFORCK-VSZNYVQBSA-N 1 3 319.493 2.119 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3=CCCCC3)C[C@H]21)N(C)C ZINC001114794481 1088531674 /nfs/dbraw/zinc/53/16/74/1088531674.db2.gz JGUAFNYBGFORCK-VSZNYVQBSA-N 1 3 319.493 2.119 20 0 DEADHO CC[N@H+](CC1CC1)CC1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000957753250 1088598921 /nfs/dbraw/zinc/59/89/21/1088598921.db2.gz FTHBCQZZMJWCSI-MRXNPFEDSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+](CC1CC1)CC1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000957753250 1088598929 /nfs/dbraw/zinc/59/89/29/1088598929.db2.gz FTHBCQZZMJWCSI-MRXNPFEDSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CC2)C1 ZINC001082943649 1090109473 /nfs/dbraw/zinc/10/94/73/1090109473.db2.gz UWTAMRQCSFUCRC-OIISXLGYSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001084701902 1090402289 /nfs/dbraw/zinc/40/22/89/1090402289.db2.gz XAPMBKMLJXLUSF-KZNAEPCWSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001084701902 1090402292 /nfs/dbraw/zinc/40/22/92/1090402292.db2.gz XAPMBKMLJXLUSF-KZNAEPCWSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]C/C=C\Cl)C(C)(C)C1)N(C)C ZINC001411101125 1091342653 /nfs/dbraw/zinc/34/26/53/1091342653.db2.gz KPSAFLYVRUXDPG-JUBSNLHESA-N 1 3 315.889 2.152 20 0 DEADHO CC(C)N(CC[N@@H+](C)CC[C@@H](C)F)C(=O)CN1CC[C@@H](C)C1 ZINC001411195712 1091404886 /nfs/dbraw/zinc/40/48/86/1091404886.db2.gz RWSQLMUKKYRNOB-HZPDHXFCSA-N 1 3 315.477 2.245 20 0 DEADHO CC(C)N(CC[N@H+](C)CC[C@@H](C)F)C(=O)CN1CC[C@@H](C)C1 ZINC001411195712 1091404895 /nfs/dbraw/zinc/40/48/95/1091404895.db2.gz RWSQLMUKKYRNOB-HZPDHXFCSA-N 1 3 315.477 2.245 20 0 DEADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001411250781 1091470986 /nfs/dbraw/zinc/47/09/86/1091470986.db2.gz YSEKQVWQBDWAGY-GPANFISMSA-N 1 3 309.498 2.342 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1(C2CC[NH+](C(C)C)CC2)CC1 ZINC001411253839 1091474856 /nfs/dbraw/zinc/47/48/56/1091474856.db2.gz FKSHGGQYBFEOJE-UHFFFAOYSA-N 1 3 304.438 2.030 20 0 DEADHO CN(C[C@@H]1CCN1CCCF)C(=O)CCC[NH+]1CCCCC1 ZINC001440257804 1091476821 /nfs/dbraw/zinc/47/68/21/1091476821.db2.gz VMKYRRCVCTUOJV-INIZCTEOSA-N 1 3 313.461 2.145 20 0 DEADHO c1c[nH]c(CN2CCC3(CN(CCC[NH+]4CCCCC4)C3)C2)c1 ZINC001276049446 1091484822 /nfs/dbraw/zinc/48/48/22/1091484822.db2.gz WZTKVXRILADMOD-UHFFFAOYSA-N 1 3 316.493 2.398 20 0 DEADHO COCCOC[NH2+][C@@]12CC[C@@](NCc3ccc(C)[nH]3)(C1)CCC2 ZINC001276074215 1091510538 /nfs/dbraw/zinc/51/05/38/1091510538.db2.gz PJOXEXWBORZPHP-MSOLQXFVSA-N 1 3 321.465 2.468 20 0 DEADHO CC(C)CC[NH+]1CCC2(CCCN(CC(=O)N(C)C)C2)CC1 ZINC001275096473 1091553920 /nfs/dbraw/zinc/55/39/20/1091553920.db2.gz KAIKIAGJJFOXEX-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO FC(F)(F)CC[NH+]1CCC2(CN(CCn3ccnc3)C2)CC1 ZINC001275164283 1091593052 /nfs/dbraw/zinc/59/30/52/1091593052.db2.gz HHZJGQRSLDKRLV-UHFFFAOYSA-N 1 3 316.371 2.233 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)[C@H](N)CC3CCCCC3)C[C@H]2C1 ZINC001649143683 1091654568 /nfs/dbraw/zinc/65/45/68/1091654568.db2.gz WOSHUJIWCUJPEO-BRSBDYLESA-N 1 3 321.509 2.473 20 0 DEADHO COCc1ccc(CN2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)s1 ZINC001275398780 1091714824 /nfs/dbraw/zinc/71/48/24/1091714824.db2.gz GIPFZDALZSJOLE-IRXDYDNUSA-N 1 3 323.506 2.105 20 0 DEADHO Cc1ccc(F)c(CN2CC[C@H]3C[N@@H+](CCN(C)C)C[C@H]32)c1 ZINC001276247932 1091738739 /nfs/dbraw/zinc/73/87/39/1091738739.db2.gz SERKNQDRHGACFN-MAUKXSAKSA-N 1 3 305.441 2.202 20 0 DEADHO Cc1ccc(F)c(CN2CC[C@H]3C[N@H+](CCN(C)C)C[C@H]32)c1 ZINC001276247932 1091738748 /nfs/dbraw/zinc/73/87/48/1091738748.db2.gz SERKNQDRHGACFN-MAUKXSAKSA-N 1 3 305.441 2.202 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)[C@@H]2CCC[N@H+](CC3CCC3)CC2)C1 ZINC000948767211 1091924630 /nfs/dbraw/zinc/92/46/30/1091924630.db2.gz SHUULAZCRDPAQV-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)[C@@H]2CCC[N@@H+](CC3CCC3)CC2)C1 ZINC000948767211 1091924640 /nfs/dbraw/zinc/92/46/40/1091924640.db2.gz SHUULAZCRDPAQV-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO CN(CC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)CC(C)(C)C ZINC001411612636 1091924953 /nfs/dbraw/zinc/92/49/53/1091924953.db2.gz NJNVRCJDZOSULH-KRWDZBQOSA-N 1 3 319.493 2.253 20 0 DEADHO CCN(CC[NH2+]Cc1ccc(C)cc1)C(=O)CN1CC[C@@H](C)C1 ZINC001273609655 1091951994 /nfs/dbraw/zinc/95/19/94/1091951994.db2.gz BIVRFJWDAIRBOM-QGZVFWFLSA-N 1 3 317.477 2.275 20 0 DEADHO CCC[NH2+]CCN(CC)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001273611167 1091954427 /nfs/dbraw/zinc/95/44/27/1091954427.db2.gz UVLKHBIIKFXLOD-MRXNPFEDSA-N 1 3 301.450 2.047 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(CCN(C)C)C2CCCC2)C1 ZINC001411752937 1092075872 /nfs/dbraw/zinc/07/58/72/1092075872.db2.gz URYUFVIZZNHVGH-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)N(CCN(C)C)C2CCCC2)C1 ZINC001411752937 1092075882 /nfs/dbraw/zinc/07/58/82/1092075882.db2.gz URYUFVIZZNHVGH-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CC[NH+](CC2CC2)CC1 ZINC001006444498 1092186326 /nfs/dbraw/zinc/18/63/26/1092186326.db2.gz URFZNTXPTSELSB-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO CC1CC(C[NH2+][C@H]2C[C@@H](CNC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001488741175 1092707292 /nfs/dbraw/zinc/70/72/92/1092707292.db2.gz NSZZVAJPTDXCAN-STONLHKKSA-N 1 3 307.482 2.001 20 0 DEADHO CCCCC[NH+]1CCC(N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC001490416772 1093372089 /nfs/dbraw/zinc/37/20/89/1093372089.db2.gz RDFKVPHRYRUBTH-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@H]1CNCC(F)(F)[C@@H]1CN1CC[NH2+][C@H](c2ccccc2)C1 ZINC001236428531 1138361373 /nfs/dbraw/zinc/36/13/73/1138361373.db2.gz MBJSNRVWSHAKOS-IMJJTQAJSA-N 1 3 309.404 2.124 20 0 DEADHO CCOC(=O)[C@@H]1CN(Cc2ccc(Cl)cc2)CCC12C[NH2+]C2 ZINC001237412828 1138617008 /nfs/dbraw/zinc/61/70/08/1138617008.db2.gz VJVCSKMVBCCWBR-HNNXBMFYSA-N 1 3 322.836 2.315 20 0 DEADHO CCOC(=O)Cc1ccc(C[NH+]2CCC3(CN(C)C3)CC2)cc1 ZINC001237486017 1138653788 /nfs/dbraw/zinc/65/37/88/1138653788.db2.gz SGRLWCOKHNYTNY-UHFFFAOYSA-N 1 3 316.445 2.320 20 0 DEADHO NCCC[NH2+]CCCNC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC001239253233 1139005559 /nfs/dbraw/zinc/00/55/59/1139005559.db2.gz UNVIUDCRFABMQU-UHFFFAOYSA-N 1 3 318.343 2.155 20 0 DEADHO CN1CCN(Cc2cccc(-c3ccc4c(n3)C[NH2+]CC4)c2)CC1 ZINC001240287758 1139319461 /nfs/dbraw/zinc/31/94/61/1139319461.db2.gz UIHHCJKTPLRJIL-UHFFFAOYSA-N 1 3 322.456 2.142 20 0 DEADHO CN1CC=C(c2ccccc2C(=O)N[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001241333339 1139788873 /nfs/dbraw/zinc/78/88/73/1139788873.db2.gz RFJKKIHDKTVZDL-WKILWMFISA-N 1 3 313.445 2.405 20 0 DEADHO CN(C)Cc1cccc(-c2ccc(CN3CC[NH2+]CC3)cc2)n1 ZINC001241978336 1139868111 /nfs/dbraw/zinc/86/81/11/1139868111.db2.gz KMDHTYYKLJSEAT-UHFFFAOYSA-N 1 3 310.445 2.215 20 0 DEADHO CCc1ccc(C[NH2+][C@H](C)CNC(=O)CN(C)C(C)C)cc1 ZINC001491682523 1140248130 /nfs/dbraw/zinc/24/81/30/1140248130.db2.gz MMZGUHYDIRUUOR-OAHLLOKOSA-N 1 3 305.466 2.184 20 0 DEADHO CCCCC[NH2+]CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001318908645 1140462737 /nfs/dbraw/zinc/46/27/37/1140462737.db2.gz UASHDUGRYFBHAA-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)c1ccc(OC[C@H](O)CNC[C@H]2CCC[NH2+]C2)cc1 ZINC001245983676 1140841124 /nfs/dbraw/zinc/84/11/24/1140841124.db2.gz UEOXICAPJCOGQO-DOTOQJQBSA-N 1 3 306.450 2.139 20 0 DEADHO CCCC[C@@H](CC)COC[C@@H](O)CNC1(C[NH3+])CCCC1 ZINC001245995901 1140843895 /nfs/dbraw/zinc/84/38/95/1140843895.db2.gz SVNPXUWLEMNWPB-CVEARBPZSA-N 1 3 300.487 2.441 20 0 DEADHO O[C@H](CN[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1)C(F)(F)F ZINC001246004529 1140844954 /nfs/dbraw/zinc/84/49/54/1140844954.db2.gz ZNXXAHAXYGYWLH-KGLIPLIRSA-N 1 3 320.330 2.379 20 0 DEADHO Cc1ccccc1OC[C@H](O)CN1CCCC[C@](C)(C[NH3+])C1 ZINC001246019308 1140846897 /nfs/dbraw/zinc/84/68/97/1140846897.db2.gz DHZFHKUETIUHRV-SJLPKXTDSA-N 1 3 306.450 2.186 20 0 DEADHO C[C@@H]1CC[C@H](NCCSCc2ccc(CN(C)C)o2)C[NH2+]1 ZINC001246081820 1140858347 /nfs/dbraw/zinc/85/83/47/1140858347.db2.gz IHMHTGLOKLGNQM-KGLIPLIRSA-N 1 3 311.495 2.305 20 0 DEADHO C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)NC1 ZINC001246107633 1140861949 /nfs/dbraw/zinc/86/19/49/1140861949.db2.gz SRQOOOKPVZZYBO-BPQIPLTHSA-N 1 3 315.461 2.269 20 0 DEADHO c1ccc(CC2CCC(N[C@H]3CO[C@@H]4C[NH2+]C[C@H]34)CC2)cc1 ZINC001246145469 1140866108 /nfs/dbraw/zinc/86/61/08/1140866108.db2.gz CGQNSDKBAZQXDI-QCRHNUIXSA-N 1 3 300.446 2.364 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]C2CCC3(CCC(=O)N3CC3CC3)CC2)CCN1 ZINC001246157193 1140867861 /nfs/dbraw/zinc/86/78/61/1140867861.db2.gz OLWCKACXEAHQGL-HCMQPCSISA-N 1 3 319.493 2.430 20 0 DEADHO FC1(F)CNCC[C@@H]1C[NH2+][C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246225262 1140874719 /nfs/dbraw/zinc/87/47/19/1140874719.db2.gz BGJUBGWVKRPPHZ-BRWVUGGUSA-N 1 3 323.431 2.184 20 0 DEADHO FC1(F)CNCC[C@@H]1C[NH2+][C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246225264 1140874978 /nfs/dbraw/zinc/87/49/78/1140874978.db2.gz BGJUBGWVKRPPHZ-IXDOHACOSA-N 1 3 323.431 2.184 20 0 DEADHO O=C(c1ccccc1)N1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246247181 1140877945 /nfs/dbraw/zinc/87/79/45/1140877945.db2.gz RFVDDTBGQQVMAZ-KTGAGVNESA-N 1 3 313.445 2.164 20 0 DEADHO COc1cccc(CN2CCC([NH2+][C@@H]3CCCNC3)CC2)c1 ZINC001246347489 1140886304 /nfs/dbraw/zinc/88/63/04/1140886304.db2.gz CETALTSOQLNSFI-QGZVFWFLSA-N 1 3 303.450 2.001 20 0 DEADHO Cc1ccnc(C2(CN[C@H]3CC[NH2+][C@H](C)C3)CCOCC2)c1 ZINC001246389565 1140893013 /nfs/dbraw/zinc/89/30/13/1140893013.db2.gz OAYBGNXHDPVZOA-CVEARBPZSA-N 1 3 303.450 2.168 20 0 DEADHO Cc1ccnc(C2(C[NH2+][C@H]3CCN[C@H](C)C3)CCOCC2)c1 ZINC001246389565 1140893014 /nfs/dbraw/zinc/89/30/14/1140893014.db2.gz OAYBGNXHDPVZOA-CVEARBPZSA-N 1 3 303.450 2.168 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]C[C@H]2CNCC(C)(C)O2)CN1Cc1ccccc1 ZINC001246411318 1140895557 /nfs/dbraw/zinc/89/55/57/1140895557.db2.gz BOXCPSOBJXTKIW-CGTJXYLNSA-N 1 3 317.477 2.006 20 0 DEADHO Cc1ccc(C2(CN[C@H]3CC[NH2+][C@H](C)C3)CCOCC2)nc1 ZINC001246437954 1140898592 /nfs/dbraw/zinc/89/85/92/1140898592.db2.gz GLNMLLMHRNEOJU-CVEARBPZSA-N 1 3 303.450 2.168 20 0 DEADHO Cc1ccc(C2(C[NH2+][C@H]3CCN[C@H](C)C3)CCOCC2)nc1 ZINC001246437954 1140898594 /nfs/dbraw/zinc/89/85/94/1140898594.db2.gz GLNMLLMHRNEOJU-CVEARBPZSA-N 1 3 303.450 2.168 20 0 DEADHO CC[C@H](C(=O)N(CC)CC[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001320767853 1140916995 /nfs/dbraw/zinc/91/69/95/1140916995.db2.gz WLWGZBOALANYAA-QGZVFWFLSA-N 1 3 323.456 2.412 20 0 DEADHO C[C@@H]1C[C@H](N[C@H](CN(C)C)C23CC4CC(CC(C4)C2)C3)C[NH2+]1 ZINC001246491807 1140920577 /nfs/dbraw/zinc/92/05/77/1140920577.db2.gz UKFLTPOCWPJKCP-SYJGMQFJSA-N 1 3 305.510 2.473 20 0 DEADHO N[C@@H]1CC[N@@H+](C2CCN(CCc3ccccc3)CC2)CC[C@@H]1F ZINC001246589512 1140993909 /nfs/dbraw/zinc/99/39/09/1140993909.db2.gz SJELBTOLVMTKOL-RBUKOAKNSA-N 1 3 319.468 2.455 20 0 DEADHO N[C@@H]1CC[N@H+](C2CCN(CCc3ccccc3)CC2)CC[C@@H]1F ZINC001246589512 1140993923 /nfs/dbraw/zinc/99/39/23/1140993923.db2.gz SJELBTOLVMTKOL-RBUKOAKNSA-N 1 3 319.468 2.455 20 0 DEADHO CCc1ccc(C[C@@H](C)N2CCNC3(CC[NH2+]CC3)C2)cc1 ZINC001246594115 1140996859 /nfs/dbraw/zinc/99/68/59/1140996859.db2.gz JBPNYNSBAAFFGJ-MRXNPFEDSA-N 1 3 301.478 2.207 20 0 DEADHO c1ccc(OC2CCC(N3CCN[C@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC001246638021 1141019204 /nfs/dbraw/zinc/01/92/04/1141019204.db2.gz RJPXCQPPSUEGIO-KVZIAJEVSA-N 1 3 315.461 2.014 20 0 DEADHO Cc1cc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCCN2C)c(C)s1 ZINC001320997179 1141023210 /nfs/dbraw/zinc/02/32/10/1141023210.db2.gz HYUKLSFXIKBIMA-APHBUQMISA-N 1 3 321.490 2.221 20 0 DEADHO Cc1cc(C)cc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCCN2C)c1 ZINC001320999216 1141024738 /nfs/dbraw/zinc/02/47/38/1141024738.db2.gz SPBWHYCPZHLHIU-XDXAGZTOSA-N 1 3 315.461 2.160 20 0 DEADHO F[C@@H]1CNCC[C@H]1N(Cc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC001246843630 1141083477 /nfs/dbraw/zinc/08/34/77/1141083477.db2.gz GPOIGDONERXEQK-RCCFBDPRSA-N 1 3 305.441 2.331 20 0 DEADHO COc1cc2c(cc1OC)[C@@H](CN(C)[C@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246873782 1141097118 /nfs/dbraw/zinc/09/71/18/1141097118.db2.gz ATUAKPXABBRZGM-YUELXQCFSA-N 1 3 304.434 2.416 20 0 DEADHO COc1cc2c(cc1OC)[C@@H](C[N@H+](C)[C@H]1CCN[C@H](C)C1)C2 ZINC001246873782 1141097126 /nfs/dbraw/zinc/09/71/26/1141097126.db2.gz ATUAKPXABBRZGM-YUELXQCFSA-N 1 3 304.434 2.416 20 0 DEADHO COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)[C@H]1CCN[C@H](C)C1)C2 ZINC001246873782 1141097137 /nfs/dbraw/zinc/09/71/37/1141097137.db2.gz ATUAKPXABBRZGM-YUELXQCFSA-N 1 3 304.434 2.416 20 0 DEADHO CN(Cc1ccccc1F)C1CCN([C@H]2CCC[NH2+]C2)CC1 ZINC001246908299 1141116654 /nfs/dbraw/zinc/11/66/54/1141116654.db2.gz GZLSQNHANFWLBD-KRWDZBQOSA-N 1 3 305.441 2.474 20 0 DEADHO C[NH+](C)[C@@H]1C[C@@H](NC[C@@H](O)CCOCc2ccccc2)C1(C)C ZINC001336835075 1142590713 /nfs/dbraw/zinc/59/07/13/1142590713.db2.gz ZKFXCYJFBHNRIT-RCCFBDPRSA-N 1 3 320.477 2.273 20 0 DEADHO O[C@H](C[NH2+]C1CCN(CC2CCC2)CC1)COCc1ccco1 ZINC001252659061 1142804328 /nfs/dbraw/zinc/80/43/28/1142804328.db2.gz XAVOTZCZKLVHEP-QGZVFWFLSA-N 1 3 322.449 2.011 20 0 DEADHO CCN(CC)C[C@@H](O)C[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC001253207789 1142854203 /nfs/dbraw/zinc/85/42/03/1142854203.db2.gz JSKMHQBIOJRHKV-WMZOPIPTSA-N 1 3 306.450 2.439 20 0 DEADHO C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)C[NH2+]C(C)(C)C ZINC001253407481 1142869837 /nfs/dbraw/zinc/86/98/37/1142869837.db2.gz LNTGYICNIWLLBM-HIFRSBDPSA-N 1 3 303.450 2.438 20 0 DEADHO C[C@H](Cc1c[nH]c2ccccc12)[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253407481 1142869839 /nfs/dbraw/zinc/86/98/39/1142869839.db2.gz LNTGYICNIWLLBM-HIFRSBDPSA-N 1 3 303.450 2.438 20 0 DEADHO C[N@@H+]1CCC[C@@H](n2nc(C(F)(F)F)c3c2CNCC3)CC1 ZINC001254530179 1143229841 /nfs/dbraw/zinc/22/98/41/1143229841.db2.gz UTHDLJDEDLJRQS-SNVBAGLBSA-N 1 3 302.344 2.204 20 0 DEADHO C[N@H+]1CCC[C@@H](n2nc(C(F)(F)F)c3c2CNCC3)CC1 ZINC001254530179 1143229860 /nfs/dbraw/zinc/22/98/60/1143229860.db2.gz UTHDLJDEDLJRQS-SNVBAGLBSA-N 1 3 302.344 2.204 20 0 DEADHO N=c1ncc(CN)cn1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255130372 1143440607 /nfs/dbraw/zinc/44/06/07/1143440607.db2.gz CZFCWHOZUIJAGF-BCDXTJNWSA-N 1 3 323.444 2.189 20 0 DEADHO N=c1ncc(CN)cn1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255130372 1143440626 /nfs/dbraw/zinc/44/06/26/1143440626.db2.gz CZFCWHOZUIJAGF-BCDXTJNWSA-N 1 3 323.444 2.189 20 0 DEADHO CC[NH+](CC)CCSCC(=O)Nc1cccc2c1CNC2 ZINC001340882274 1143480314 /nfs/dbraw/zinc/48/03/14/1143480314.db2.gz SNRTWGGRVARFQT-UHFFFAOYSA-N 1 3 307.463 2.303 20 0 DEADHO C[C@H](CN)C[N@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001255229129 1143520167 /nfs/dbraw/zinc/52/01/67/1143520167.db2.gz JHHMOPMZCXFZAA-KBXIAJHMSA-N 1 3 311.470 2.444 20 0 DEADHO C[C@H](CN)C[N@@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001255229129 1143520185 /nfs/dbraw/zinc/52/01/85/1143520185.db2.gz JHHMOPMZCXFZAA-KBXIAJHMSA-N 1 3 311.470 2.444 20 0 DEADHO CCCN1C[C@@H]2C[N@H+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C[C@@H]2C1 ZINC001255609154 1143780779 /nfs/dbraw/zinc/78/07/79/1143780779.db2.gz REUHZMBGBPEPOO-XHSDSOJGSA-N 1 3 323.481 2.269 20 0 DEADHO CCCN1C[C@@H]2C[N@@H+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C[C@@H]2C1 ZINC001255609154 1143780786 /nfs/dbraw/zinc/78/07/86/1143780786.db2.gz REUHZMBGBPEPOO-XHSDSOJGSA-N 1 3 323.481 2.269 20 0 DEADHO Cc1ccnc(O[C@@H]2CCN(C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)n1 ZINC001255682570 1143802011 /nfs/dbraw/zinc/80/20/11/1143802011.db2.gz MMSXVAXRAHXEHS-FCLJQHQZSA-N 1 3 316.449 2.253 20 0 DEADHO Cc1ccnc(O[C@@H]2CCN(C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)n1 ZINC001255682570 1143802012 /nfs/dbraw/zinc/80/20/12/1143802012.db2.gz MMSXVAXRAHXEHS-FCLJQHQZSA-N 1 3 316.449 2.253 20 0 DEADHO CC(C)C(=O)N(C)C1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001256630665 1143858650 /nfs/dbraw/zinc/85/86/50/1143858650.db2.gz GPMMFNKNKKWGFC-SJPCQFCGSA-N 1 3 307.482 2.190 20 0 DEADHO CC(C)C(=O)N(C)C1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001256630665 1143858651 /nfs/dbraw/zinc/85/86/51/1143858651.db2.gz GPMMFNKNKKWGFC-SJPCQFCGSA-N 1 3 307.482 2.190 20 0 DEADHO c1cnc2c(n1)CCC[C@H]2[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256681597 1143861923 /nfs/dbraw/zinc/86/19/23/1143861923.db2.gz YHFNLMGXYUPMAY-VMBOVVBDSA-N 1 3 316.449 2.087 20 0 DEADHO C[N@H+](CCc1ccccn1)C1CCC(N2CCOCC2)CC1 ZINC001256689418 1143862390 /nfs/dbraw/zinc/86/23/90/1143862390.db2.gz VPPRHSIIIZQJJP-UHFFFAOYSA-N 1 3 303.450 2.199 20 0 DEADHO C[N@@H+](CCc1ccccn1)C1CCC(N2CCOCC2)CC1 ZINC001256689418 1143862391 /nfs/dbraw/zinc/86/23/91/1143862391.db2.gz VPPRHSIIIZQJJP-UHFFFAOYSA-N 1 3 303.450 2.199 20 0 DEADHO C1CC2(CO1)CC[NH+](C1CCC(N3CCOCC3)CC1)CC2 ZINC001256688507 1143862555 /nfs/dbraw/zinc/86/25/55/1143862555.db2.gz CIGGCPCUGJOECI-UHFFFAOYSA-N 1 3 308.466 2.132 20 0 DEADHO Cc1ncccc1C[N@@H+](C)C1CCC(N2CCOCC2)CC1 ZINC001256697067 1143863238 /nfs/dbraw/zinc/86/32/38/1143863238.db2.gz SOENNJCGMWGDEZ-UHFFFAOYSA-N 1 3 303.450 2.465 20 0 DEADHO Cc1ncccc1C[N@H+](C)C1CCC(N2CCOCC2)CC1 ZINC001256697067 1143863239 /nfs/dbraw/zinc/86/32/39/1143863239.db2.gz SOENNJCGMWGDEZ-UHFFFAOYSA-N 1 3 303.450 2.465 20 0 DEADHO O[C@@H]1CCN(C2CC[NH+](CCc3ccccc3)CC2)CC[C@@H]1F ZINC001258140879 1143977491 /nfs/dbraw/zinc/97/74/91/1143977491.db2.gz MGBUDKCDMFLRRO-RBUKOAKNSA-N 1 3 320.452 2.488 20 0 DEADHO C[C@H](Cc1cccnc1)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001258617339 1144026040 /nfs/dbraw/zinc/02/60/40/1144026040.db2.gz GQQXGVCYRIEBEJ-MRXNPFEDSA-N 1 3 317.477 2.493 20 0 DEADHO C[C@H]1C[C@H]([N@H+]2CCC(=O)N(CCN(C)C)CC2)CC(C)(C)C1 ZINC001258700368 1144034134 /nfs/dbraw/zinc/03/41/34/1144034134.db2.gz LSZISZCDRWXCSQ-HOTGVXAUSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H]1C[C@H]([N@@H+]2CCC(=O)N(CCN(C)C)CC2)CC(C)(C)C1 ZINC001258700368 1144034138 /nfs/dbraw/zinc/03/41/38/1144034138.db2.gz LSZISZCDRWXCSQ-HOTGVXAUSA-N 1 3 309.498 2.297 20 0 DEADHO CCCN1CCC([N@@H+]2CC[C@@H](Oc3nccc(C)n3)C2)CC1 ZINC001258777899 1144041181 /nfs/dbraw/zinc/04/11/81/1144041181.db2.gz MCNBAAFEUBKHFH-MRXNPFEDSA-N 1 3 304.438 2.113 20 0 DEADHO CCCN1CCC([N@H+]2CC[C@@H](Oc3nccc(C)n3)C2)CC1 ZINC001258777899 1144041182 /nfs/dbraw/zinc/04/11/82/1144041182.db2.gz MCNBAAFEUBKHFH-MRXNPFEDSA-N 1 3 304.438 2.113 20 0 DEADHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1CCC[NH2+]CCCF ZINC001264021262 1144443284 /nfs/dbraw/zinc/44/32/84/1144443284.db2.gz OKKTYHZHLVSMKQ-GDBMZVCRSA-N 1 3 324.444 2.309 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCCC[C@@H]([NH2+]CCCF)C2)C1 ZINC001264122873 1144474258 /nfs/dbraw/zinc/47/42/58/1144474258.db2.gz VTJIVDBPEMTIQP-HZPDHXFCSA-N 1 3 313.461 2.049 20 0 DEADHO CC/C=C\CC[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001264403179 1144529524 /nfs/dbraw/zinc/52/95/24/1144529524.db2.gz HBGZATLBAQQHFT-AXLMZEGOSA-N 1 3 307.482 2.169 20 0 DEADHO CN(CCCNC(=O)CC[NH+](C)C)Cc1ccc(Cl)s1 ZINC001265917589 1144756885 /nfs/dbraw/zinc/75/68/85/1144756885.db2.gz UXOBTZPQHMPRSC-UHFFFAOYSA-N 1 3 317.886 2.291 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]CCC(C)(C)C)C1)N(C)C ZINC001265987084 1144777870 /nfs/dbraw/zinc/77/78/70/1144777870.db2.gz SSPITHGUJBSLPI-HOTGVXAUSA-N 1 3 311.514 2.447 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCC2CC2)C1 ZINC001266041228 1144798661 /nfs/dbraw/zinc/79/86/61/1144798661.db2.gz QSKRCUBBMHSBGX-IAGOWNOFSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)=CC[NH+]1CCC(N(C)C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001266194672 1144812826 /nfs/dbraw/zinc/81/28/26/1144812826.db2.gz FBNLQXXQXLGVTI-KRWDZBQOSA-N 1 3 309.498 2.462 20 0 DEADHO CC(C)CCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001281410101 1144887897 /nfs/dbraw/zinc/88/78/97/1144887897.db2.gz WICUWAMYPRROJD-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC001364205755 1145076725 /nfs/dbraw/zinc/07/67/25/1145076725.db2.gz UZGYOYSRYOEVCX-BZUAXINKSA-N 1 3 310.486 2.033 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC001364205755 1145076728 /nfs/dbraw/zinc/07/67/28/1145076728.db2.gz UZGYOYSRYOEVCX-BZUAXINKSA-N 1 3 310.486 2.033 20 0 DEADHO CC1CC[NH+](CC[C@@H]2CCCN2C(=O)CN2CCCC2)CC1 ZINC001364469922 1145275425 /nfs/dbraw/zinc/27/54/25/1145275425.db2.gz YAFXZXLTCKFADL-KRWDZBQOSA-N 1 3 307.482 2.195 20 0 DEADHO CC[C@H](C(=O)N(C)[C@H](C[NH2+]CCC(F)(F)F)C1CC1)N(C)C ZINC001283505689 1145483062 /nfs/dbraw/zinc/48/30/62/1145483062.db2.gz ARHYTBWQXLIWGI-CHWSQXEVSA-N 1 3 323.403 2.106 20 0 DEADHO COC1(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CCCCCC1 ZINC001364706626 1145490744 /nfs/dbraw/zinc/49/07/44/1145490744.db2.gz HJQDXUCTYVSRFM-QGZVFWFLSA-N 1 3 310.482 2.257 20 0 DEADHO COC1(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)CCCCCC1 ZINC001364706626 1145490757 /nfs/dbraw/zinc/49/07/57/1145490757.db2.gz HJQDXUCTYVSRFM-QGZVFWFLSA-N 1 3 310.482 2.257 20 0 DEADHO CN(C)C(=O)CC[NH+]1CCC(NC/C=C\c2ccccc2)CC1 ZINC001364859936 1145634845 /nfs/dbraw/zinc/63/48/45/1145634845.db2.gz CLMPTKSAIDHVFL-TWGQIWQCSA-N 1 3 315.461 2.232 20 0 DEADHO C[NH+]1CCC(N2CC[C@@H](NCc3ccc(F)cc3F)C2)CC1 ZINC001365362055 1145859004 /nfs/dbraw/zinc/85/90/04/1145859004.db2.gz ZFJNFKPWYJHQEX-OAHLLOKOSA-N 1 3 309.404 2.223 20 0 DEADHO CN1C[C@@H]2CC[C@H]([NH2+]C3CCN(C(=O)OC(C)(C)C)CC3)[C@@H]2C1 ZINC001365503983 1145882657 /nfs/dbraw/zinc/88/26/57/1145882657.db2.gz LAFYANAJMRNVBW-IMJJTQAJSA-N 1 3 323.481 2.316 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC1CCC(C)CC1 ZINC001480475184 1151829158 /nfs/dbraw/zinc/82/91/58/1151829158.db2.gz OYUYSRPKESGEPR-PCKAHOCUSA-N 1 3 309.498 2.391 20 0 DEADHO CCc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)CN(C)C(C)C)C2)c1 ZINC001366129338 1147070066 /nfs/dbraw/zinc/07/00/66/1147070066.db2.gz DUNPHQPUZSCBAH-IYARVYRRSA-N 1 3 317.477 2.326 20 0 DEADHO CN(CC(=O)NC1CCC([NH2+]C/C=C\Cl)CC1)C1CCC1 ZINC001366244709 1147153782 /nfs/dbraw/zinc/15/37/82/1147153782.db2.gz VFZMNAMZSHXDQZ-KMKOMSMNSA-N 1 3 313.873 2.240 20 0 DEADHO CN(CCNC(=O)CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC001366541025 1147339376 /nfs/dbraw/zinc/33/93/76/1147339376.db2.gz NRJVGHXKMGPHDF-QGZVFWFLSA-N 1 3 303.450 2.109 20 0 DEADHO CN(CCNC(=O)CC[C@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC001366541025 1147339383 /nfs/dbraw/zinc/33/93/83/1147339383.db2.gz NRJVGHXKMGPHDF-QGZVFWFLSA-N 1 3 303.450 2.109 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](C)[C@H]1CCCc2ccccc21)N(C)C ZINC001366582544 1147372613 /nfs/dbraw/zinc/37/26/13/1147372613.db2.gz GLXLHLGIJVCBLH-ROUUACIJSA-N 1 3 317.477 2.452 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](C)[C@H]1CCCc2ccccc21)N(C)C ZINC001366582544 1147372614 /nfs/dbraw/zinc/37/26/14/1147372614.db2.gz GLXLHLGIJVCBLH-ROUUACIJSA-N 1 3 317.477 2.452 20 0 DEADHO CC[NH+](CC)CCO[C@H]1CCN(CCCOC(F)(F)F)C1 ZINC001307521489 1147427456 /nfs/dbraw/zinc/42/74/56/1147427456.db2.gz PBSIPBFPYBYLEB-ZDUSSCGKSA-N 1 3 312.376 2.346 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[N@H+](Cc3ccsc3)C2)C1 ZINC001366693714 1147487356 /nfs/dbraw/zinc/48/73/56/1147487356.db2.gz CELVDVIKKADYNU-LSDHHAIUSA-N 1 3 321.490 2.028 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[N@@H+](Cc3ccsc3)C2)C1 ZINC001366693714 1147487357 /nfs/dbraw/zinc/48/73/57/1147487357.db2.gz CELVDVIKKADYNU-LSDHHAIUSA-N 1 3 321.490 2.028 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[N@H+](CC2CC(C)(C)C2)C2CC2)C1 ZINC001366753053 1147540381 /nfs/dbraw/zinc/54/03/81/1147540381.db2.gz YHWIAEAMDMAYME-HNNXBMFYSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[N@@H+](CC2CC(C)(C)C2)C2CC2)C1 ZINC001366753053 1147540390 /nfs/dbraw/zinc/54/03/90/1147540390.db2.gz YHWIAEAMDMAYME-HNNXBMFYSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([C@@H](C)[NH2+]CC2CCC2)CC1 ZINC001366791846 1147562903 /nfs/dbraw/zinc/56/29/03/1147562903.db2.gz PGUBEYXELJPHDP-OAHLLOKOSA-N 1 3 309.498 2.343 20 0 DEADHO CN(CCCNC(=O)CC[C@H]1CCC[N@@H+]1C)CCC(F)(F)F ZINC001316828890 1147610019 /nfs/dbraw/zinc/61/00/19/1147610019.db2.gz MKRSCULAIHYNIH-CYBMUJFWSA-N 1 3 323.403 2.251 20 0 DEADHO CN(CCCNC(=O)CC[C@H]1CCC[N@H+]1C)CCC(F)(F)F ZINC001316828890 1147610020 /nfs/dbraw/zinc/61/00/20/1147610020.db2.gz MKRSCULAIHYNIH-CYBMUJFWSA-N 1 3 323.403 2.251 20 0 DEADHO CC(C)[C@H](C(=O)NCC1C[NH+](CC2CC3(CCC3)C2)C1)N(C)C ZINC001366981197 1147628146 /nfs/dbraw/zinc/62/81/46/1147628146.db2.gz YRDDCRCVCOEPKN-QGZVFWFLSA-N 1 3 321.509 2.201 20 0 DEADHO CC[C@@H](C(=O)NC1(C[NH2+]Cc2ccns2)CCCC1)N(C)C ZINC001367161966 1147658683 /nfs/dbraw/zinc/65/86/83/1147658683.db2.gz AFYFOVDJOAHJLA-AWEZNQCLSA-N 1 3 324.494 2.002 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCCc2ccccc2)C1)N(C)C ZINC001317114936 1147661361 /nfs/dbraw/zinc/66/13/61/1147661361.db2.gz HIYVREHVQUJXEI-FGTMMUONSA-N 1 3 317.477 2.196 20 0 DEADHO CC(C)CCC[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001317159773 1147668214 /nfs/dbraw/zinc/66/82/14/1147668214.db2.gz MJEKHKUEFMRNBN-OAHLLOKOSA-N 1 3 306.454 2.217 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1C)N(C)C ZINC001367297552 1147675356 /nfs/dbraw/zinc/67/53/56/1147675356.db2.gz YVUFWDHHMAVJSZ-RHSMWYFYSA-N 1 3 305.466 2.177 20 0 DEADHO CCCC[NH2+][C@H](C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001480792063 1147676322 /nfs/dbraw/zinc/67/63/22/1147676322.db2.gz IIMJURNNHLGJCO-PBHICJAKSA-N 1 3 315.477 2.483 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2ccns2)CCCC1 ZINC001367325860 1147678628 /nfs/dbraw/zinc/67/86/28/1147678628.db2.gz YUYYVUUSSDMRJL-UHFFFAOYSA-N 1 3 324.494 2.004 20 0 DEADHO C[C@@H](C[NH2+]CC1CCCCCC1)N(C)C(=O)[C@@H]1CCCN1C ZINC001367362724 1147684158 /nfs/dbraw/zinc/68/41/58/1147684158.db2.gz VHNLQNWKNOUPAD-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1 ZINC001367403493 1147689746 /nfs/dbraw/zinc/68/97/46/1147689746.db2.gz IXKGWAHTZWPLBO-INIZCTEOSA-N 1 3 303.450 2.027 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](C[NH2+]CCCC2CCCC2)C1 ZINC001317341242 1147693055 /nfs/dbraw/zinc/69/30/55/1147693055.db2.gz SMSWFRYRBFRMHL-INIZCTEOSA-N 1 3 318.465 2.361 20 0 DEADHO Cc1cccc(C[N@@H+](C)CCN(C)C(=O)CN(C)C2CCC2)c1 ZINC001367516559 1147707118 /nfs/dbraw/zinc/70/71/18/1147707118.db2.gz PLQNQEGJIOTEHW-UHFFFAOYSA-N 1 3 317.477 2.370 20 0 DEADHO Cc1cccc(C[N@H+](C)CCN(C)C(=O)CN(C)C2CCC2)c1 ZINC001367516559 1147707119 /nfs/dbraw/zinc/70/71/19/1147707119.db2.gz PLQNQEGJIOTEHW-UHFFFAOYSA-N 1 3 317.477 2.370 20 0 DEADHO Cc1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001367827482 1147754541 /nfs/dbraw/zinc/75/45/41/1147754541.db2.gz ADUQCONGEKPMIB-DOTOQJQBSA-N 1 3 317.477 2.273 20 0 DEADHO Cc1ccccc1C[N@H+](C)C[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001367827482 1147754543 /nfs/dbraw/zinc/75/45/43/1147754543.db2.gz ADUQCONGEKPMIB-DOTOQJQBSA-N 1 3 317.477 2.273 20 0 DEADHO CC(C)[C@H](C(=O)NCC1([NH2+]CCc2cccs2)CC1)N(C)C ZINC001368035773 1147837682 /nfs/dbraw/zinc/83/76/82/1147837682.db2.gz IVDGNXWOSFWJBH-OAHLLOKOSA-N 1 3 323.506 2.115 20 0 DEADHO [NH3+]CCCCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC001325354575 1147895233 /nfs/dbraw/zinc/89/52/33/1147895233.db2.gz MFZSQBSIURZEHI-QGZVFWFLSA-N 1 3 318.465 2.252 20 0 DEADHO CCCCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001326222689 1148059028 /nfs/dbraw/zinc/05/90/28/1148059028.db2.gz DQGCHUMVFRCAOW-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@]1(C)CC[NH2+]C1)N(C)C ZINC000612909788 361948762 /nfs/dbraw/zinc/94/87/62/361948762.db2.gz OWNDCTPPXOEEMF-QILLFSRXSA-N 1 3 318.465 2.037 20 0 DEADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(C2CCCC2)CC1 ZINC000079292047 185163849 /nfs/dbraw/zinc/16/38/49/185163849.db2.gz FVTNJGWNQLVNGT-INIZCTEOSA-N 1 3 322.497 2.131 20 0 DEADHO CN(C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000360025895 282185518 /nfs/dbraw/zinc/18/55/18/282185518.db2.gz VJSMOMXHTYLKPN-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000360025895 282185520 /nfs/dbraw/zinc/18/55/20/282185520.db2.gz VJSMOMXHTYLKPN-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO CC[C@H](NCC1(N2CCSCC2)CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422849954 529592379 /nfs/dbraw/zinc/59/23/79/529592379.db2.gz VHTXOGXGVGFIJD-HOTGVXAUSA-N 1 3 311.539 2.468 20 0 DEADHO CC[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)C1CCCC1 ZINC000414204300 529592492 /nfs/dbraw/zinc/59/24/92/529592492.db2.gz WDKZTFDXHJAIOW-SFHVURJKSA-N 1 3 323.525 2.341 20 0 DEADHO CC[C@H](NCCc1ccc(OCCN(C)C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422743471 529607353 /nfs/dbraw/zinc/60/73/53/529607353.db2.gz RKJJZSPHKGCLND-OALUTQOASA-N 1 3 319.493 2.290 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000417824221 529610973 /nfs/dbraw/zinc/61/09/73/529610973.db2.gz AXZUNYHFVVERRR-JKSUJKDBSA-N 1 3 303.450 2.143 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000417828761 529613504 /nfs/dbraw/zinc/61/35/04/529613504.db2.gz HQPLKLSPLGBTDF-QGPMSJSTSA-N 1 3 317.477 2.391 20 0 DEADHO CC[C@H](C)CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000422203415 529661328 /nfs/dbraw/zinc/66/13/28/529661328.db2.gz IIAUHWNXYVQMRE-HOTGVXAUSA-N 1 3 312.502 2.090 20 0 DEADHO CC[C@H](C)CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000422203415 529661329 /nfs/dbraw/zinc/66/13/29/529661329.db2.gz IIAUHWNXYVQMRE-HOTGVXAUSA-N 1 3 312.502 2.090 20 0 DEADHO C[C@H]1CCC[C@H](C[NH+]2CCC(C(=O)NCCN(C)C)CC2)C1 ZINC000092803413 185342415 /nfs/dbraw/zinc/34/24/15/185342415.db2.gz RQPZRJAJUPVIDK-HOTGVXAUSA-N 1 3 309.498 2.203 20 0 DEADHO C[N@@H+]1CCC[C@]2(CCN(C[C@H](O)Cc3ccc(F)cc3)C2)C1 ZINC000292903263 530065328 /nfs/dbraw/zinc/06/53/28/530065328.db2.gz GTFWNMWJPXEZJD-MSOLQXFVSA-N 1 3 306.425 2.147 20 0 DEADHO C[N@H+]1CCC[C@]2(CCN(C[C@H](O)Cc3ccc(F)cc3)C2)C1 ZINC000292903263 530065329 /nfs/dbraw/zinc/06/53/29/530065329.db2.gz GTFWNMWJPXEZJD-MSOLQXFVSA-N 1 3 306.425 2.147 20 0 DEADHO CCC[NH+]1CCC(N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000126763742 539478520 /nfs/dbraw/zinc/47/85/20/539478520.db2.gz YKERQNHSQQMJRI-QGZVFWFLSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H](NC(=O)N1C[C@H](C[NH3+])C[C@@H]1C)[C@@H](c1ccccc1)N(C)C ZINC000418184178 299138549 /nfs/dbraw/zinc/13/85/49/299138549.db2.gz PNQWOHKFXZQJKC-JKQORVJESA-N 1 3 318.465 2.057 20 0 DEADHO CC(C)CCN(C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000157693224 539572802 /nfs/dbraw/zinc/57/28/02/539572802.db2.gz HISSCPKHOKZNAR-KRWDZBQOSA-N 1 3 305.466 2.383 20 0 DEADHO C[C@H]1CCN(C(=O)CC2([NH3+])CCC2)CCN1Cc1ccccc1 ZINC000237546711 539747096 /nfs/dbraw/zinc/74/70/96/539747096.db2.gz YOZZQILEOUBTRS-INIZCTEOSA-N 1 3 315.461 2.381 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000237922048 539751389 /nfs/dbraw/zinc/75/13/89/539751389.db2.gz DIKTYXITNNRMPN-MJBXVCDLSA-N 1 3 307.463 2.129 20 0 DEADHO [NH3+]C1(CC(=O)NC2CCN(Cc3ccccc3)CC2)CCC1 ZINC000237993049 539752825 /nfs/dbraw/zinc/75/28/25/539752825.db2.gz WRYYPNTXZXUXCY-UHFFFAOYSA-N 1 3 301.434 2.039 20 0 DEADHO [NH3+]C1(CC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CCC1 ZINC000238012129 539752899 /nfs/dbraw/zinc/75/28/99/539752899.db2.gz RKRNPBIWGNNKGH-INIZCTEOSA-N 1 3 301.434 2.039 20 0 DEADHO C[NH+]1CCC(C(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000174553526 282686716 /nfs/dbraw/zinc/68/67/16/282686716.db2.gz GNUFRKIGUCQAHM-GOSISDBHSA-N 1 3 315.461 2.282 20 0 DEADHO C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(-n2cncn2)cc1 ZINC000152476825 186077605 /nfs/dbraw/zinc/07/76/05/186077605.db2.gz HONZXFJQWBDGCM-GJZGRUSLSA-N 1 3 311.433 2.402 20 0 DEADHO C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(-n2cncn2)cc1 ZINC000152476825 186077607 /nfs/dbraw/zinc/07/76/07/186077607.db2.gz HONZXFJQWBDGCM-GJZGRUSLSA-N 1 3 311.433 2.402 20 0 DEADHO CC(CN(C)CC1CCOCC1)C[N@H+](C)CC1CCOCC1 ZINC000155903333 186121904 /nfs/dbraw/zinc/12/19/04/186121904.db2.gz SDQWIFRYTLMBDB-UHFFFAOYSA-N 1 3 312.498 2.339 20 0 DEADHO CC(CN(C)CC1CCOCC1)C[N@@H+](C)CC1CCOCC1 ZINC000155903333 186121905 /nfs/dbraw/zinc/12/19/05/186121905.db2.gz SDQWIFRYTLMBDB-UHFFFAOYSA-N 1 3 312.498 2.339 20 0 DEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H](N)C(C)(C)C)CC1 ZINC000164140441 186149897 /nfs/dbraw/zinc/14/98/97/186149897.db2.gz UJDGPPCAOUFNLA-QGZVFWFLSA-N 1 3 317.477 2.449 20 0 DEADHO COCCOCCC[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000268749193 186377468 /nfs/dbraw/zinc/37/74/68/186377468.db2.gz UFSWUJOIEIEHLT-MRXNPFEDSA-N 1 3 324.465 2.331 20 0 DEADHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)C[C@@H]1CCNC(=O)CC1 ZINC000626063552 366033617 /nfs/dbraw/zinc/03/36/17/366033617.db2.gz HTOYDTWHZXHSHX-SFHVURJKSA-N 1 3 317.477 2.486 20 0 DEADHO CC[N@H+](Cc1ccc(CN(C)C)cc1)C[C@@H]1CCNC(=O)CC1 ZINC000626063552 366033625 /nfs/dbraw/zinc/03/36/25/366033625.db2.gz HTOYDTWHZXHSHX-SFHVURJKSA-N 1 3 317.477 2.486 20 0 DEADHO C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000287216454 219387300 /nfs/dbraw/zinc/38/73/00/219387300.db2.gz RAVONMILIANNPI-RDJZCZTQSA-N 1 3 318.465 2.073 20 0 DEADHO CNC(=O)c1cccc(CN2CCC(CC[NH+](C)C)CC2)c1 ZINC000073165662 191287542 /nfs/dbraw/zinc/28/75/42/191287542.db2.gz PHDSPLHQDQVDCO-UHFFFAOYSA-N 1 3 303.450 2.210 20 0 DEADHO CCN1CCC(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000042910541 354208743 /nfs/dbraw/zinc/20/87/43/354208743.db2.gz GPLRKKPFCCYVEJ-UHFFFAOYSA-N 1 3 310.486 2.079 20 0 DEADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CC[C@H]2C2CC2)c1 ZINC000348106585 540020485 /nfs/dbraw/zinc/02/04/85/540020485.db2.gz HYDLHQBCDWFLOB-ZWKOTPCHSA-N 1 3 315.461 2.256 20 0 DEADHO C[C@@H](CNC(=O)NC1CCN(C2CC2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000048395069 354351163 /nfs/dbraw/zinc/35/11/63/354351163.db2.gz ZQWLTFSPZSTINO-GJZGRUSLSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H](CNC(=O)NC1CCN(C2CC2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000048395069 354351164 /nfs/dbraw/zinc/35/11/64/354351164.db2.gz ZQWLTFSPZSTINO-GJZGRUSLSA-N 1 3 322.497 2.175 20 0 DEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CC[C@H]2C2CC2)cc1 ZINC000348388655 540022196 /nfs/dbraw/zinc/02/21/96/540022196.db2.gz KLKDPAXOUPWPME-ZWKOTPCHSA-N 1 3 315.461 2.256 20 0 DEADHO CC[C@H](CNC(=[NH2+])NCCc1ccc(OC)cc1)N1CCCC1 ZINC000066245293 354705616 /nfs/dbraw/zinc/70/56/16/354705616.db2.gz AYJJOCLJDJNDCF-MRXNPFEDSA-N 1 3 318.465 2.226 20 0 DEADHO C[C@@H](C[NH3+])NC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000417213825 295896259 /nfs/dbraw/zinc/89/62/59/295896259.db2.gz JTXLDNWKJZAGPU-RDJZCZTQSA-N 1 3 318.465 2.106 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000378200503 540120756 /nfs/dbraw/zinc/12/07/56/540120756.db2.gz FHQLZJSURXNQOM-FGTMMUONSA-N 1 3 315.461 2.285 20 0 DEADHO CC(C)[NH2+]CC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000379663387 540122156 /nfs/dbraw/zinc/12/21/56/540122156.db2.gz LEXFOMZZUUVYLM-NVXWUHKLSA-N 1 3 303.450 2.154 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000382730153 540123489 /nfs/dbraw/zinc/12/34/89/540123489.db2.gz ZVHYUTIUUUILHH-LPHOPBHVSA-N 1 3 315.461 2.109 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(F)c1Cl ZINC000080061077 355345064 /nfs/dbraw/zinc/34/50/64/355345064.db2.gz YCVWVIZNTCTILI-UHFFFAOYSA-N 1 3 315.820 2.045 20 0 DEADHO CC(C)N1CCCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000085418325 355493006 /nfs/dbraw/zinc/49/30/06/355493006.db2.gz RIAHKLNISWPYRG-OAHLLOKOSA-N 1 3 312.502 2.088 20 0 DEADHO O=C(NCCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000089640655 355539621 /nfs/dbraw/zinc/53/96/21/355539621.db2.gz JXEKPODGODPLGS-UONOGXRCSA-N 1 3 307.463 2.084 20 0 DEADHO O=C(NCCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000089640655 355539622 /nfs/dbraw/zinc/53/96/22/355539622.db2.gz JXEKPODGODPLGS-UONOGXRCSA-N 1 3 307.463 2.084 20 0 DEADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)N(C)C)cc1 ZINC000417300262 540165917 /nfs/dbraw/zinc/16/59/17/540165917.db2.gz AGDMQOUKVVXBTR-ULQDDVLXSA-N 1 3 318.465 2.167 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)NCCCCC[NH+]2CCCC2)CCN1C ZINC000454636551 291075997 /nfs/dbraw/zinc/07/59/97/291075997.db2.gz FJZOMRXEIJJLDF-HOTGVXAUSA-N 1 3 310.486 2.034 20 0 DEADHO CC(C)[C@@H](CNC1CCN(CC(F)F)CC1)[NH+]1CCCC1 ZINC000132990062 355853816 /nfs/dbraw/zinc/85/38/16/355853816.db2.gz OMPLMCWGRHYAMK-OAHLLOKOSA-N 1 3 303.441 2.426 20 0 DEADHO Cc1cc(NC(=O)CNC2CC2)ccc1OCC[NH+]1CCCC1 ZINC000154665464 355944064 /nfs/dbraw/zinc/94/40/64/355944064.db2.gz OTUSISQDFQRANN-UHFFFAOYSA-N 1 3 317.433 2.160 20 0 DEADHO CCO[C@@H]1C[C@@H]([NH2+]CCCCN2CCN(CC)CC2)C1(C)C ZINC000181493246 356083987 /nfs/dbraw/zinc/08/39/87/356083987.db2.gz YRPDTQUSWRIKNE-IAGOWNOFSA-N 1 3 311.514 2.197 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2ccnn2C)[C@H](C)C1 ZINC000248744340 356324488 /nfs/dbraw/zinc/32/44/88/356324488.db2.gz ARXKTTNJPRMFDG-OAGGEKHMSA-N 1 3 308.470 2.208 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NC1CCN(C2CC2)CC1 ZINC000357642535 535305671 /nfs/dbraw/zinc/30/56/71/535305671.db2.gz VYLQGJRNFSDZGH-CQSZACIVSA-N 1 3 310.486 2.033 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC1CCN(C2CC2)CC1 ZINC000357642535 535305679 /nfs/dbraw/zinc/30/56/79/535305679.db2.gz VYLQGJRNFSDZGH-CQSZACIVSA-N 1 3 310.486 2.033 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000458785791 283174645 /nfs/dbraw/zinc/17/46/45/283174645.db2.gz KVNPPNQTWJXCJB-HZPDHXFCSA-N 1 3 312.502 2.231 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000458785791 283174648 /nfs/dbraw/zinc/17/46/48/283174648.db2.gz KVNPPNQTWJXCJB-HZPDHXFCSA-N 1 3 312.502 2.231 20 0 DEADHO CCC[C@H](N)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000236937970 202080798 /nfs/dbraw/zinc/08/07/98/202080798.db2.gz UDVRYZLNLMCKCW-INIZCTEOSA-N 1 3 307.438 2.473 20 0 DEADHO CCC[C@@H]([NH3+])C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000236938117 202081197 /nfs/dbraw/zinc/08/11/97/202081197.db2.gz HRLXXRMCWXWGLS-MRXNPFEDSA-N 1 3 303.450 2.067 20 0 DEADHO CCC[C@@H]([NH3+])C(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000236958977 202092841 /nfs/dbraw/zinc/09/28/41/202092841.db2.gz XXDRCAHVXVTJME-DLBZAZTESA-N 1 3 303.450 2.067 20 0 DEADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000423770165 283199181 /nfs/dbraw/zinc/19/91/81/283199181.db2.gz ZOSFZHWDCONUFE-XYZLTOARSA-N 1 3 321.509 2.329 20 0 DEADHO CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@@H](N)Cc1ccccc1 ZINC000423769481 283199208 /nfs/dbraw/zinc/19/92/08/283199208.db2.gz YKROKRIDFVWLGN-SFHVURJKSA-N 1 3 317.477 2.279 20 0 DEADHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H](N)Cc1ccccc1 ZINC000423769481 283199210 /nfs/dbraw/zinc/19/92/10/283199210.db2.gz YKROKRIDFVWLGN-SFHVURJKSA-N 1 3 317.477 2.279 20 0 DEADHO CC[C@H](C)[C@H]([NH3+])C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000237021580 202124788 /nfs/dbraw/zinc/12/47/88/202124788.db2.gz UAGSPLAJOQJIRU-YOEHRIQHSA-N 1 3 317.477 2.313 20 0 DEADHO CN(C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN(C)C1 ZINC000578451761 356819451 /nfs/dbraw/zinc/81/94/51/356819451.db2.gz OCWGMMWVPVSMHW-MSOLQXFVSA-N 1 3 315.461 2.061 20 0 DEADHO CN(C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN(C)C1 ZINC000578451761 356819453 /nfs/dbraw/zinc/81/94/53/356819453.db2.gz OCWGMMWVPVSMHW-MSOLQXFVSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@H](CN1CCN(c2ccccc2)CC1)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000578668612 356854363 /nfs/dbraw/zinc/85/43/63/356854363.db2.gz JIFWVDWDBWMPAS-SQNIBIBYSA-N 1 3 316.493 2.057 20 0 DEADHO O=C(NCCCCC[NH+]1CCCC1)N1CC[C@@H](N2CCCC2)C1 ZINC000579563257 356994041 /nfs/dbraw/zinc/99/40/41/356994041.db2.gz CMFVRSQQRKMQCY-QGZVFWFLSA-N 1 3 322.497 2.132 20 0 DEADHO CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000360120165 283234033 /nfs/dbraw/zinc/23/40/33/283234033.db2.gz STDZHADFPMJJDP-CVEARBPZSA-N 1 3 312.502 2.233 20 0 DEADHO CCCN(CC[NH+]1CCCCCC1)C(=O)NCCN(C)C1CC1 ZINC000358626874 283253799 /nfs/dbraw/zinc/25/37/99/283253799.db2.gz FIIZIAOBEBCQQJ-UHFFFAOYSA-N 1 3 324.513 2.378 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000418800391 283254358 /nfs/dbraw/zinc/25/43/58/283254358.db2.gz WQVMYEQOPLJXEO-IRXDYDNUSA-N 1 3 324.513 2.411 20 0 DEADHO C[NH2+]CC1CCN([C@@H](C)C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000430948036 283257158 /nfs/dbraw/zinc/25/71/58/283257158.db2.gz DFBAUCXHCJTWIA-ZDUSSCGKSA-N 1 3 323.868 2.276 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)N1CCCCC1 ZINC000591162624 357683333 /nfs/dbraw/zinc/68/33/33/357683333.db2.gz ZWMGZKKEEGWBHK-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+](C(C)C)C1)N1CCCCC1 ZINC000591162624 357683335 /nfs/dbraw/zinc/68/33/35/357683335.db2.gz ZWMGZKKEEGWBHK-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)N1CCCCC1 ZINC000591162626 357683551 /nfs/dbraw/zinc/68/35/51/357683551.db2.gz ZWMGZKKEEGWBHK-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)N1CCCCC1 ZINC000591162626 357683554 /nfs/dbraw/zinc/68/35/54/357683554.db2.gz ZWMGZKKEEGWBHK-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO C[NH2+]CCC1CCN(C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000655973552 540297387 /nfs/dbraw/zinc/29/73/87/540297387.db2.gz GYYBLSMIIMTWFU-DLBZAZTESA-N 1 3 322.497 2.034 20 0 DEADHO CC1CC[NH+](CCCNC(=O)NC[C@H]2CCN2C(C)(C)C)CC1 ZINC000661397382 540318880 /nfs/dbraw/zinc/31/88/80/540318880.db2.gz PDECAXORFMSGEL-MRXNPFEDSA-N 1 3 324.513 2.280 20 0 DEADHO CCCN1CC[C@H](NC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000661954407 540324456 /nfs/dbraw/zinc/32/44/56/540324456.db2.gz WMJYCNORALIOBY-IRXDYDNUSA-N 1 3 324.513 2.138 20 0 DEADHO CCCN1CC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000661954407 540324459 /nfs/dbraw/zinc/32/44/59/540324459.db2.gz WMJYCNORALIOBY-IRXDYDNUSA-N 1 3 324.513 2.138 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000344722812 283338095 /nfs/dbraw/zinc/33/80/95/283338095.db2.gz LSUGYLPUSINDMF-WBVHZDCISA-N 1 3 307.482 2.194 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000344722812 283338099 /nfs/dbraw/zinc/33/80/99/283338099.db2.gz LSUGYLPUSINDMF-WBVHZDCISA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2(N)CC2)cc1 ZINC000237347874 202240021 /nfs/dbraw/zinc/24/00/21/202240021.db2.gz YBURCPRZSXPXCE-CQSZACIVSA-N 1 3 301.434 2.169 20 0 DEADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2(N)CC2)cc1 ZINC000237347874 202240025 /nfs/dbraw/zinc/24/00/25/202240025.db2.gz YBURCPRZSXPXCE-CQSZACIVSA-N 1 3 301.434 2.169 20 0 DEADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccnc1 ZINC000180644566 199189717 /nfs/dbraw/zinc/18/97/17/199189717.db2.gz ZUYCWYSIYBXLOQ-BEFAXECRSA-N 1 3 311.429 2.499 20 0 DEADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccnc1 ZINC000180644566 199189719 /nfs/dbraw/zinc/18/97/19/199189719.db2.gz ZUYCWYSIYBXLOQ-BEFAXECRSA-N 1 3 311.429 2.499 20 0 DEADHO CSC1(CNCc2c(C3CC3)cnn2C)CC[NH+](C)CC1 ZINC000594945828 358365851 /nfs/dbraw/zinc/36/58/51/358365851.db2.gz YAXQARLQCRTEFL-UHFFFAOYSA-N 1 3 308.495 2.215 20 0 DEADHO COC(=O)c1cc(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)cs1 ZINC000595893257 358574366 /nfs/dbraw/zinc/57/43/66/358574366.db2.gz QBLPDVMRRWCYDI-LBPRGKRZSA-N 1 3 308.447 2.499 20 0 DEADHO CCC[NH2+]CCNC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000418359025 283388747 /nfs/dbraw/zinc/38/87/47/283388747.db2.gz RUTCZJGMLNGPKU-INIZCTEOSA-N 1 3 306.454 2.109 20 0 DEADHO COC(=O)c1ccc(CNCC2CC[NH+](CC3CC3)CC2)o1 ZINC000597247795 358868903 /nfs/dbraw/zinc/86/89/03/358868903.db2.gz CWGUOVPKRGLHAS-UHFFFAOYSA-N 1 3 306.406 2.278 20 0 DEADHO C[C@H](NC(=O)Nc1cccc2c1CCNC2)C1CC[NH+](C)CC1 ZINC000667753046 540520842 /nfs/dbraw/zinc/52/08/42/540520842.db2.gz BKFPDKPZIZVGCW-ZDUSSCGKSA-N 1 3 316.449 2.184 20 0 DEADHO CNCc1cccc(NC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000667783822 540525576 /nfs/dbraw/zinc/52/55/76/540525576.db2.gz GEZKHYNRDJFRPN-MRXNPFEDSA-N 1 3 304.438 2.400 20 0 DEADHO C[C@]1(C(=O)NCCCN2CCc3ccccc3C2)CCCC[NH2+]1 ZINC000237552197 202280938 /nfs/dbraw/zinc/28/09/38/202280938.db2.gz CQAZTFJEZYJOAW-LJQANCHMSA-N 1 3 315.461 2.083 20 0 DEADHO C[C@H]1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000237552235 202281023 /nfs/dbraw/zinc/28/10/23/202281023.db2.gz VFQWEOBCOVVHQL-QFBILLFUSA-N 1 3 315.461 2.109 20 0 DEADHO [NH3+][C@H]1CC[C@H](C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000237892995 202383097 /nfs/dbraw/zinc/38/30/97/202383097.db2.gz FXUGUWSXVVVQTJ-GJZGRUSLSA-N 1 3 321.490 2.204 20 0 DEADHO CCOC(=O)C1(C)CC(NC[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000601284229 359994553 /nfs/dbraw/zinc/99/45/53/359994553.db2.gz HANFVUNRJXMIEZ-HJOIGYKYSA-N 1 3 308.466 2.430 20 0 DEADHO CCOC(=O)C1(C)CC(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000601284229 359994555 /nfs/dbraw/zinc/99/45/55/359994555.db2.gz HANFVUNRJXMIEZ-HJOIGYKYSA-N 1 3 308.466 2.430 20 0 DEADHO CCOC(=O)C1(C)CC([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C1 ZINC000601284229 359994558 /nfs/dbraw/zinc/99/45/58/359994558.db2.gz HANFVUNRJXMIEZ-HJOIGYKYSA-N 1 3 308.466 2.430 20 0 DEADHO CC(=O)Nc1cccc(CN2CCC(OCC[NH+](C)C)CC2)c1 ZINC000601761809 360137570 /nfs/dbraw/zinc/13/75/70/360137570.db2.gz ODENJUVZDWTWJI-UHFFFAOYSA-N 1 3 319.449 2.188 20 0 DEADHO CC(C)c1cc(N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)ncn1 ZINC000603927573 360875542 /nfs/dbraw/zinc/87/55/42/360875542.db2.gz TZWTVSMSMCCOMV-MRXNPFEDSA-N 1 3 317.481 2.205 20 0 DEADHO CC(C)C[C@@H](N)C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000669520357 540851308 /nfs/dbraw/zinc/85/13/08/540851308.db2.gz VHRMFBXELDNMPI-USXIJHARSA-N 1 3 321.440 2.008 20 0 DEADHO C[NH+](C)CCOc1ccc(CN2CC(C3CCOCC3)C2)cc1 ZINC000669715377 540882350 /nfs/dbraw/zinc/88/23/50/540882350.db2.gz ITDNXUZGZHEXPC-UHFFFAOYSA-N 1 3 318.461 2.485 20 0 DEADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(C(=O)C3CCCC3)C2)[C@H]2CCC[C@@H]21 ZINC000671750884 541007428 /nfs/dbraw/zinc/00/74/28/541007428.db2.gz NVYCBLABHHPFFA-BDXSIMOUSA-N 1 3 319.493 2.240 20 0 DEADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(C(=O)C3CCCC3)C2)[C@H]2CCC[C@@H]21 ZINC000671750884 541007430 /nfs/dbraw/zinc/00/74/30/541007430.db2.gz NVYCBLABHHPFFA-BDXSIMOUSA-N 1 3 319.493 2.240 20 0 DEADHO C(CN1CCOCC1)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000608492392 361224646 /nfs/dbraw/zinc/22/46/46/361224646.db2.gz ZEZSQGVMBYZDDQ-UHFFFAOYSA-N 1 3 323.525 2.297 20 0 DEADHO C[C@H]([NH3+])CCC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000193307564 201026167 /nfs/dbraw/zinc/02/61/67/201026167.db2.gz VGFZGIQPVSYOOA-AWEZNQCLSA-N 1 3 321.490 2.344 20 0 DEADHO C[C@H]([NH3+])CCC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000193311313 201027171 /nfs/dbraw/zinc/02/71/71/201027171.db2.gz GELMJEGNGCQZCO-HNNXBMFYSA-N 1 3 303.450 2.237 20 0 DEADHO C[C@H](NC(=O)N[C@H]1CCCN(C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000672754212 541060685 /nfs/dbraw/zinc/06/06/85/541060685.db2.gz SOFFGCPQLYTCPJ-XIRDDKMYSA-N 1 3 318.465 2.071 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000675197074 541300619 /nfs/dbraw/zinc/30/06/19/541300619.db2.gz GJIMELYMLGFWCM-MRXNPFEDSA-N 1 3 324.513 2.472 20 0 DEADHO CN(C)[C@H](CNC(=O)CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000621641492 364485581 /nfs/dbraw/zinc/48/55/81/364485581.db2.gz LIGMIOXWDQNLIE-ROUUACIJSA-N 1 3 317.477 2.055 20 0 DEADHO O=C(CC[C@H]1CCC[NH2+]C1)N1CCC[C@H]1CN1CCCCC1 ZINC000621642176 364487198 /nfs/dbraw/zinc/48/71/98/364487198.db2.gz GUZYSUJFNWVOTD-SJORKVTESA-N 1 3 307.482 2.243 20 0 DEADHO COCC1(NCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000675763469 541379994 /nfs/dbraw/zinc/37/99/94/541379994.db2.gz MLLNHEHGMVUING-UHFFFAOYSA-N 1 3 304.434 2.430 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000623067725 364873988 /nfs/dbraw/zinc/87/39/88/364873988.db2.gz KZBBGWFFODYILM-BHYGNILZSA-N 1 3 316.449 2.339 20 0 DEADHO C(COC[C@H]1CCOC1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000675836858 541389344 /nfs/dbraw/zinc/38/93/44/541389344.db2.gz KOTNUWZCKSTBDL-INIZCTEOSA-N 1 3 310.482 2.426 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000676542507 541468692 /nfs/dbraw/zinc/46/86/92/541468692.db2.gz NFSPYUIQKDAEAR-GVDBMIGSSA-N 1 3 324.513 2.233 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000676542507 541468695 /nfs/dbraw/zinc/46/86/95/541468695.db2.gz NFSPYUIQKDAEAR-GVDBMIGSSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000629545454 367243411 /nfs/dbraw/zinc/24/34/11/367243411.db2.gz BQRKOLSPWBMLTN-DZUCGIPZSA-N 1 3 305.470 2.363 20 0 DEADHO Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000629564935 367255485 /nfs/dbraw/zinc/25/54/85/367255485.db2.gz LYLHCEOHISRLMF-QYZOEREBSA-N 1 3 318.461 2.261 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)CN(C)C2CCC2)[NH+](C)C)cc1 ZINC000629953693 367394933 /nfs/dbraw/zinc/39/49/33/367394933.db2.gz ZCQBVCGEGLDPDB-QGZVFWFLSA-N 1 3 303.450 2.198 20 0 DEADHO CN(C)c1ccncc1CNc1cnn(C2CC[NH+](C)CC2)c1 ZINC000631224723 368087962 /nfs/dbraw/zinc/08/79/62/368087962.db2.gz AZASVXAWQNFVBE-UHFFFAOYSA-N 1 3 314.437 2.223 20 0 DEADHO CC(C)Cc1ccc(C[N@@H+]2CC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000631845981 368423238 /nfs/dbraw/zinc/42/32/38/368423238.db2.gz PIHQOWSLBMWYHT-SFHVURJKSA-N 1 3 313.449 2.382 20 0 DEADHO CC(C)Cc1ccc(C[N@H+]2CC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000631845981 368423245 /nfs/dbraw/zinc/42/32/45/368423245.db2.gz PIHQOWSLBMWYHT-SFHVURJKSA-N 1 3 313.449 2.382 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H](N)c1ccccc1 ZINC000262049320 203183935 /nfs/dbraw/zinc/18/39/35/203183935.db2.gz CTGXUHGTZIAGIK-SVGFKBNWSA-N 1 3 301.434 2.066 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H](N)c1ccccc1 ZINC000262049320 203183939 /nfs/dbraw/zinc/18/39/39/203183939.db2.gz CTGXUHGTZIAGIK-SVGFKBNWSA-N 1 3 301.434 2.066 20 0 DEADHO Cc1cccnc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093177947 193212139 /nfs/dbraw/zinc/21/21/39/193212139.db2.gz QWTIEVNRSTZLCQ-UHFFFAOYSA-N 1 3 303.450 2.467 20 0 DEADHO C[C@@H]([NH2+]C[C@H](O)C1CCC1)c1cccc(OCCN(C)C)c1 ZINC000453394628 245114109 /nfs/dbraw/zinc/11/41/09/245114109.db2.gz WJUFFWONWCCGCV-KDOFPFPSSA-N 1 3 306.450 2.439 20 0 DEADHO CN1CCC(N2CC[C@H]([NH2+]C3CC(OC(C)(C)C)C3)C2)CC1 ZINC000679339876 541841756 /nfs/dbraw/zinc/84/17/56/541841756.db2.gz LAKAXBNJIOHPCG-UQPPLGOBSA-N 1 3 309.498 2.091 20 0 DEADHO C[C@@H](Cc1ccccc1F)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282522734 217060272 /nfs/dbraw/zinc/06/02/72/217060272.db2.gz ZUFANSFRFZCFGU-HNNXBMFYSA-N 1 3 307.457 2.372 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[C@H](N)c2ccccc2)C1 ZINC000262663561 284344336 /nfs/dbraw/zinc/34/43/36/284344336.db2.gz HVISDKKDSVDMJP-ZOBUZTSGSA-N 1 3 303.450 2.123 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[C@H](N)c2ccccc2)C1 ZINC000262663561 284344338 /nfs/dbraw/zinc/34/43/38/284344338.db2.gz HVISDKKDSVDMJP-ZOBUZTSGSA-N 1 3 303.450 2.123 20 0 DEADHO CCCN(C)CC(=O)N(C)C1CCC([NH2+]CC[C@@H](C)F)CC1 ZINC001368899155 1148756123 /nfs/dbraw/zinc/75/61/23/1148756123.db2.gz LNIZUEKYNZWHRL-QQFBHYJXSA-N 1 3 315.477 2.436 20 0 DEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530219651 284376886 /nfs/dbraw/zinc/37/68/86/284376886.db2.gz MJIHNPKPQMXVIA-BPQIPLTHSA-N 1 3 314.477 2.166 20 0 DEADHO CN(CC1CCN(C)CC1)C(=O)NCCCCC[NH+]1CCCC1 ZINC000455118525 246392661 /nfs/dbraw/zinc/39/26/61/246392661.db2.gz PJMFEVOOTWUPHL-UHFFFAOYSA-N 1 3 324.513 2.236 20 0 DEADHO CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000680878025 542060616 /nfs/dbraw/zinc/06/06/16/542060616.db2.gz SUEUKBDATCQSDE-KRWDZBQOSA-N 1 3 324.513 2.234 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)CC1 ZINC000101660322 193833303 /nfs/dbraw/zinc/83/33/03/193833303.db2.gz ZXIKFRCVWSDOPZ-OAGGEKHMSA-N 1 3 309.498 2.484 20 0 DEADHO CC1CCN(CCC[NH2+]C2CCN(c3cnccn3)CC2)CC1 ZINC000531689515 284597410 /nfs/dbraw/zinc/59/74/10/284597410.db2.gz NFDSUNDLEIIWOC-UHFFFAOYSA-N 1 3 317.481 2.157 20 0 DEADHO N[C@@H]1CCC[C@@H]([NH2+]CCCNC(=O)/C=C\c2ccccc2)C1 ZINC000493193149 249245643 /nfs/dbraw/zinc/24/56/43/249245643.db2.gz SGBCMETWAGDNIV-SCEITDHKSA-N 1 3 301.434 2.066 20 0 DEADHO CC(C)[C@H](CNC(=O)[C@@H](C)[C@@H](C)[NH3+])N1CCc2ccccc2C1 ZINC000493768706 249394567 /nfs/dbraw/zinc/39/45/67/249394567.db2.gz PSKOGHOTLHCPNV-DAYGRLMNSA-N 1 3 317.477 2.169 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(C)CC1 ZINC000431563716 284686755 /nfs/dbraw/zinc/68/67/55/284686755.db2.gz IWBYVPQBQDZWMW-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@H](C)C[NH2+]C)c1cccc(OC)c1 ZINC000163967081 284771251 /nfs/dbraw/zinc/77/12/51/284771251.db2.gz BQFYHIIDMUTXBB-PBHICJAKSA-N 1 3 321.465 2.050 20 0 DEADHO C[C@H](CNC(=O)NC1CCN(C2CC2)CC1)C[NH+]1CCCCC1 ZINC000057042181 184025693 /nfs/dbraw/zinc/02/56/93/184025693.db2.gz NLSMPUNLSLPBMZ-OAHLLOKOSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000042909551 207353405 /nfs/dbraw/zinc/35/34/05/207353405.db2.gz CJQBMTWZPJKJCN-CQSZACIVSA-N 1 3 324.513 2.327 20 0 DEADHO O=C1CC[C@H]2C[N@H+](CCCN3CCCCC3)CC[C@@H]2N1C1CC1 ZINC000249358429 296330795 /nfs/dbraw/zinc/33/07/95/296330795.db2.gz LIHVCCRRVFVVAF-WMZOPIPTSA-N 1 3 319.493 2.338 20 0 DEADHO O=C1CC[C@H]2C[N@@H+](CCCN3CCCCC3)CC[C@@H]2N1C1CC1 ZINC000249358429 296330797 /nfs/dbraw/zinc/33/07/97/296330797.db2.gz LIHVCCRRVFVVAF-WMZOPIPTSA-N 1 3 319.493 2.338 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc(C)c1 ZINC000346619493 285249115 /nfs/dbraw/zinc/24/91/15/285249115.db2.gz JQIVWFOIPMBLFP-GOSISDBHSA-N 1 3 317.477 2.483 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc(C)c1 ZINC000346619493 285249120 /nfs/dbraw/zinc/24/91/20/285249120.db2.gz JQIVWFOIPMBLFP-GOSISDBHSA-N 1 3 317.477 2.483 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CC=CCC1 ZINC000346616297 285280553 /nfs/dbraw/zinc/28/05/53/285280553.db2.gz FGFVLIXHVBJEAD-IRXDYDNUSA-N 1 3 307.482 2.217 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CC=CCC1 ZINC000346616297 285280556 /nfs/dbraw/zinc/28/05/56/285280556.db2.gz FGFVLIXHVBJEAD-IRXDYDNUSA-N 1 3 307.482 2.217 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000683850712 542504686 /nfs/dbraw/zinc/50/46/86/542504686.db2.gz BIHIVLOCDGIAOV-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CCN1CC[C@@H]([NH2+]CC2(N3CCCCC3)CCOCC2)[C@H](C)C1 ZINC000089594290 285376645 /nfs/dbraw/zinc/37/66/45/285376645.db2.gz LXLMVRIGIBTRBY-QZTJIDSGSA-N 1 3 323.525 2.341 20 0 DEADHO COc1ccc(C)cc1CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422784480 533384896 /nfs/dbraw/zinc/38/48/96/533384896.db2.gz MGMHVKOZGIXNSR-RCCFBDPRSA-N 1 3 318.461 2.293 20 0 DEADHO COc1cccc(N2CC[C@H]([NH2+][C@H]3CCCC[C@H]3CN)C2)c1 ZINC000422719571 533588484 /nfs/dbraw/zinc/58/84/84/533588484.db2.gz YVUVJNVVSLIQAQ-MPGHIAIKSA-N 1 3 303.450 2.381 20 0 DEADHO COc1cccc(N2CC[C@H](N[C@H]3CCCC[C@H]3C[NH3+])C2)c1 ZINC000422719571 533588494 /nfs/dbraw/zinc/58/84/94/533588494.db2.gz YVUVJNVVSLIQAQ-MPGHIAIKSA-N 1 3 303.450 2.381 20 0 DEADHO COc1cccc(NC(=O)CCN2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1 ZINC000422625201 533598723 /nfs/dbraw/zinc/59/87/23/533598723.db2.gz AXKGGWGXTYMNCJ-ZNMIVQPWSA-N 1 3 319.449 2.329 20 0 DEADHO COc1cccc(NC(=O)CC[N@@H+]2C[C@H](CN)[C@@H](C)C[C@H]2C)c1 ZINC000422625201 533598727 /nfs/dbraw/zinc/59/87/27/533598727.db2.gz AXKGGWGXTYMNCJ-ZNMIVQPWSA-N 1 3 319.449 2.329 20 0 DEADHO COc1cccc(NC(=O)CC[N@H+]2C[C@H](CN)[C@@H](C)C[C@H]2C)c1 ZINC000422625201 533598732 /nfs/dbraw/zinc/59/87/32/533598732.db2.gz AXKGGWGXTYMNCJ-ZNMIVQPWSA-N 1 3 319.449 2.329 20 0 DEADHO CC[C@@H](C)[C@@H](N)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000163854253 132123928 /nfs/dbraw/zinc/12/39/28/132123928.db2.gz FXDHQEQWLCZNKN-RHSMWYFYSA-N 1 3 303.450 2.272 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](OC)C2)CC1 ZINC000353856186 133007039 /nfs/dbraw/zinc/00/70/39/133007039.db2.gz POVSENUMJPEIPD-KRWDZBQOSA-N 1 3 303.450 2.049 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@H](OC)C2)CC1 ZINC000353856186 133007040 /nfs/dbraw/zinc/00/70/40/133007040.db2.gz POVSENUMJPEIPD-KRWDZBQOSA-N 1 3 303.450 2.049 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](OC)C2)CC1 ZINC000353856193 133007060 /nfs/dbraw/zinc/00/70/60/133007060.db2.gz POVSENUMJPEIPD-QGZVFWFLSA-N 1 3 303.450 2.049 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](OC)C2)CC1 ZINC000353856193 133007061 /nfs/dbraw/zinc/00/70/61/133007061.db2.gz POVSENUMJPEIPD-QGZVFWFLSA-N 1 3 303.450 2.049 20 0 DEADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCN(C)Cc1ccccc1 ZINC000355406475 133024327 /nfs/dbraw/zinc/02/43/27/133024327.db2.gz BSPXOVNWHGFXCN-HZPDHXFCSA-N 1 3 303.450 2.107 20 0 DEADHO C[C@H](NC(=O)C1CCN(C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358108764 133121746 /nfs/dbraw/zinc/12/17/46/133121746.db2.gz WUSILAXJGMLMAN-GOEBONIOSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](NC(=O)C1CCN(C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358108764 133121747 /nfs/dbraw/zinc/12/17/47/133121747.db2.gz WUSILAXJGMLMAN-GOEBONIOSA-N 1 3 307.482 2.097 20 0 DEADHO COC1(C[NH2+]C2CCN(C3CCN(C)CC3)CC2)CCCCC1 ZINC000359738800 133141825 /nfs/dbraw/zinc/14/18/25/133141825.db2.gz IWAQDBVNUBKQEH-UHFFFAOYSA-N 1 3 323.525 2.484 20 0 DEADHO Cc1cccc(CN(CCN(C)C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000362747832 133249018 /nfs/dbraw/zinc/24/90/18/133249018.db2.gz NFLWCVINNUNEDI-WMZOPIPTSA-N 1 3 317.477 2.083 20 0 DEADHO Cc1cccc(CN(CCN(C)C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000362747832 133249019 /nfs/dbraw/zinc/24/90/19/133249019.db2.gz NFLWCVINNUNEDI-WMZOPIPTSA-N 1 3 317.477 2.083 20 0 DEADHO Cc1ccc(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)c(OCCN(C)C)c1 ZINC000362819662 133252851 /nfs/dbraw/zinc/25/28/51/133252851.db2.gz GDUXRKIHSLOPOG-GJZGRUSLSA-N 1 3 319.449 2.072 20 0 DEADHO Cc1ccc(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)c(OCCN(C)C)c1 ZINC000362819662 133252852 /nfs/dbraw/zinc/25/28/52/133252852.db2.gz GDUXRKIHSLOPOG-GJZGRUSLSA-N 1 3 319.449 2.072 20 0 DEADHO Cc1cccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000376203679 133286585 /nfs/dbraw/zinc/28/65/85/133286585.db2.gz QTMVMHDOLLQFCC-PKOBYXMFSA-N 1 3 301.478 2.453 20 0 DEADHO C[C@H](NC(=O)N1CCCC12CCN(C)CC2)C(C)(C)C[NH+](C)C ZINC000376818924 133308840 /nfs/dbraw/zinc/30/88/40/133308840.db2.gz OLGXSKHCHZEVGK-HNNXBMFYSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC3(CCC3)CC2)CC1 ZINC000377396046 133328762 /nfs/dbraw/zinc/32/87/62/133328762.db2.gz XYEMYMRDCJVPCP-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO COC[C@H](O)CNCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000563880978 292077973 /nfs/dbraw/zinc/07/79/73/292077973.db2.gz IMQLOXKEHGOEJL-CRAIPNDOSA-N 1 3 306.450 2.158 20 0 DEADHO COC[C@H](O)CNCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000563880978 292077974 /nfs/dbraw/zinc/07/79/74/292077974.db2.gz IMQLOXKEHGOEJL-CRAIPNDOSA-N 1 3 306.450 2.158 20 0 DEADHO [NH3+][C@H]1CCC[C@@H](N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)C1 ZINC000564470392 292096640 /nfs/dbraw/zinc/09/66/40/292096640.db2.gz LLTDTUSUGBDRPT-YNEHKIRRSA-N 1 3 321.387 2.179 20 0 DEADHO N[C@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)C1 ZINC000564470392 292096641 /nfs/dbraw/zinc/09/66/41/292096641.db2.gz LLTDTUSUGBDRPT-YNEHKIRRSA-N 1 3 321.387 2.179 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000564823003 292113065 /nfs/dbraw/zinc/11/30/65/292113065.db2.gz PISDURBPPHPBCQ-NBMJBFSESA-N 1 3 317.477 2.245 20 0 DEADHO O[C@H]1CCCC[C@@H]1N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000564825862 292113505 /nfs/dbraw/zinc/11/35/05/292113505.db2.gz NGISJYBIAHZCEV-UIBIWLFHSA-N 1 3 302.418 2.135 20 0 DEADHO C[C@@H]1CC[C@@H](C[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)O1 ZINC000190503983 145043502 /nfs/dbraw/zinc/04/35/02/145043502.db2.gz ORNSQSLPFOZOJX-CBZIJGRNSA-N 1 3 310.482 2.375 20 0 DEADHO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000192606702 145076456 /nfs/dbraw/zinc/07/64/56/145076456.db2.gz HACLXTWHDRBCAV-KXBFYZLASA-N 1 3 318.461 2.158 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCN(c2ncccc2F)C1 ZINC000246881100 145117800 /nfs/dbraw/zinc/11/78/00/145117800.db2.gz DJIMMDOEBZNKQI-NYTXWWLZSA-N 1 3 306.429 2.118 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCN(c2ncccc2F)C1 ZINC000246881100 145117801 /nfs/dbraw/zinc/11/78/01/145117801.db2.gz DJIMMDOEBZNKQI-NYTXWWLZSA-N 1 3 306.429 2.118 20 0 DEADHO CC[N@@H+]1CC[C@@H](NCCNC(=O)c2ccc(C)cc2)[C@@H](C)C1 ZINC000247213139 145129851 /nfs/dbraw/zinc/12/98/51/145129851.db2.gz XBAKVEZBCDIWPR-DOTOQJQBSA-N 1 3 303.450 2.045 20 0 DEADHO CC[N@H+]1CC[C@@H](NCCNC(=O)c2ccc(C)cc2)[C@@H](C)C1 ZINC000247213139 145129852 /nfs/dbraw/zinc/12/98/52/145129852.db2.gz XBAKVEZBCDIWPR-DOTOQJQBSA-N 1 3 303.450 2.045 20 0 DEADHO [NH3+]C[C@@H]1CN(CCC(=O)NC2CCCC2)C[C@H]1c1ccccc1 ZINC000261619979 145211370 /nfs/dbraw/zinc/21/13/70/145211370.db2.gz CVYWRPSLBVINNP-AEFFLSMTSA-N 1 3 315.461 2.110 20 0 DEADHO Cc1[nH]nc2ncc(CN3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)cc12 ZINC000261697958 145217667 /nfs/dbraw/zinc/21/76/67/145217667.db2.gz LJDLFXIMXFBLPQ-AEFFLSMTSA-N 1 3 321.428 2.441 20 0 DEADHO c1sc2ccccc2c1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261717700 145219942 /nfs/dbraw/zinc/21/99/42/145219942.db2.gz PUFSOABLCAHEII-HNNXBMFYSA-N 1 3 301.459 2.381 20 0 DEADHO C[C@@H]([NH3+])C1CCN(CC(=O)N(C)[C@H](C)c2ccccc2)CC1 ZINC000261860079 145235111 /nfs/dbraw/zinc/23/51/11/145235111.db2.gz FSOUPCCJMBCJJW-HUUCEWRRSA-N 1 3 303.450 2.265 20 0 DEADHO C[NH2+]CC1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000261952338 145246577 /nfs/dbraw/zinc/24/65/77/145246577.db2.gz NIRBPYXOFMNWLI-UHFFFAOYSA-N 1 3 308.422 2.144 20 0 DEADHO C[NH2+]CCC1CCN([C@@H](C)C(=O)NCc2ccc(C)cc2)CC1 ZINC000261977035 145248698 /nfs/dbraw/zinc/24/86/98/145248698.db2.gz GMQQVQBVSAIFSX-INIZCTEOSA-N 1 3 317.477 2.321 20 0 DEADHO COC(=O)c1cccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000261996553 145250768 /nfs/dbraw/zinc/25/07/68/145250768.db2.gz UOKMRGCNODHCOT-QGZVFWFLSA-N 1 3 302.418 2.437 20 0 DEADHO C[NH2+]CCC1CCN([C@@H](C)C(=O)NCc2ccccc2)CC1 ZINC000262015931 145253487 /nfs/dbraw/zinc/25/34/87/145253487.db2.gz WARDAGMTIVAVMI-HNNXBMFYSA-N 1 3 303.450 2.013 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCN(Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000262084039 145259732 /nfs/dbraw/zinc/25/97/32/145259732.db2.gz FTYKKGZCQQYMLI-ZVZYQTTQSA-N 1 3 304.434 2.414 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(N2CCCC2=O)cc1 ZINC000262344746 145278231 /nfs/dbraw/zinc/27/82/31/145278231.db2.gz USAJLFQTOSKOSQ-NVXWUHKLSA-N 1 3 301.434 2.421 20 0 DEADHO CC(C)C[C@H](N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309695416 145351176 /nfs/dbraw/zinc/35/11/76/145351176.db2.gz DURVMCGEFGJTTN-ROUUACIJSA-N 1 3 317.477 2.388 20 0 DEADHO CC(C)C[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309695416 145351177 /nfs/dbraw/zinc/35/11/77/145351177.db2.gz DURVMCGEFGJTTN-ROUUACIJSA-N 1 3 317.477 2.388 20 0 DEADHO C[C@H](C(=O)N1CC[C@H]([NH+]2CCCC2)C1)[C@H](N)c1ccccc1 ZINC000316525681 145362992 /nfs/dbraw/zinc/36/29/92/145362992.db2.gz JVKXSGQWMVHCCI-XIRDDKMYSA-N 1 3 301.434 2.019 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)c2ccc3c(c2)CNC3)CC1 ZINC000317085977 145364526 /nfs/dbraw/zinc/36/45/26/145364526.db2.gz YSDSVNVVLQWZEU-UHFFFAOYSA-N 1 3 301.434 2.284 20 0 DEADHO CCN(C[C@H](O)C[N@H+](C)CC)[C@@H](C)Cc1ccc(OC)cc1 ZINC000565165520 292139592 /nfs/dbraw/zinc/13/95/92/292139592.db2.gz QVWNIEKFUCJLAV-DOTOQJQBSA-N 1 3 308.466 2.261 20 0 DEADHO CCN(C[C@H](O)C[N@@H+](C)CC)[C@@H](C)Cc1ccc(OC)cc1 ZINC000565165520 292139593 /nfs/dbraw/zinc/13/95/93/292139593.db2.gz QVWNIEKFUCJLAV-DOTOQJQBSA-N 1 3 308.466 2.261 20 0 DEADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)C2CCN(C)CC2)C1 ZINC000345003323 145967440 /nfs/dbraw/zinc/96/74/40/145967440.db2.gz OOKAIMIHEOVCAF-BFYDXBDKSA-N 1 3 307.482 2.192 20 0 DEADHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccc(OCc2nccn2C)cc1 ZINC000346687815 146124871 /nfs/dbraw/zinc/12/48/71/146124871.db2.gz WSLYMMPWYQTUKA-ZBFHGGJFSA-N 1 3 314.433 2.168 20 0 DEADHO O=C(NCc1ccccc1)C1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000346827185 146148516 /nfs/dbraw/zinc/14/85/16/146148516.db2.gz HSVINGZJAQXJJE-KRWDZBQOSA-N 1 3 315.461 2.014 20 0 DEADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(Oc4cnccn4)cc3)C[C@H]12 ZINC000346833846 146150030 /nfs/dbraw/zinc/15/00/30/146150030.db2.gz MRFNORCYKHFQBX-BHYGNILZSA-N 1 3 310.401 2.438 20 0 DEADHO C[C@H](NC[C@@H]1CCCC(=O)N1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348406612 146266687 /nfs/dbraw/zinc/26/66/87/146266687.db2.gz TYPPUIDOIBOFMC-SZMVWBNQSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H](NC[C@@H]1CCCC(=O)N1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348406612 146266688 /nfs/dbraw/zinc/26/66/88/146266688.db2.gz TYPPUIDOIBOFMC-SZMVWBNQSA-N 1 3 315.461 2.155 20 0 DEADHO CCCCOCC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000348850929 146320848 /nfs/dbraw/zinc/32/08/48/146320848.db2.gz WUJASJPNZXIAHI-UHFFFAOYSA-N 1 3 311.514 2.153 20 0 DEADHO C[C@H](C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)[C@@H](N)c1ccccc1 ZINC000349003508 146339023 /nfs/dbraw/zinc/33/90/23/146339023.db2.gz QTPSLJQERSOISZ-WBHUJUFNSA-N 1 3 324.428 2.172 20 0 DEADHO C[C@@H](CC(=O)NC[C@H]1NCCc2ccccc21)C1CC[NH2+]CC1 ZINC000357245489 147071671 /nfs/dbraw/zinc/07/16/71/147071671.db2.gz UWMIAWKRLNBDLM-KBXCAEBGSA-N 1 3 315.461 2.015 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000358601783 147164318 /nfs/dbraw/zinc/16/43/18/147164318.db2.gz ZAROMYDHUJXROT-HNNXBMFYSA-N 1 3 323.506 2.418 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000358601783 147164321 /nfs/dbraw/zinc/16/43/21/147164321.db2.gz ZAROMYDHUJXROT-HNNXBMFYSA-N 1 3 323.506 2.418 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000359224422 147284941 /nfs/dbraw/zinc/28/49/41/147284941.db2.gz IGQRRIZQZSOMCF-RDJZCZTQSA-N 1 3 322.497 2.177 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000359224422 147284943 /nfs/dbraw/zinc/28/49/43/147284943.db2.gz IGQRRIZQZSOMCF-RDJZCZTQSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H](Cc1ccccc1C(F)(F)F)NC[C@H](O)C[NH+](C)C ZINC000360841009 147393971 /nfs/dbraw/zinc/39/39/71/147393971.db2.gz PXESMHNGUOQFEV-AAEUAGOBSA-N 1 3 304.356 2.149 20 0 DEADHO CC(C)[C@]1(C)C[C@H]1NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000565701529 292176584 /nfs/dbraw/zinc/17/65/84/292176584.db2.gz IRRCLZTVBLWABE-NEWSRXKRSA-N 1 3 316.445 2.174 20 0 DEADHO COc1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000370697288 148045783 /nfs/dbraw/zinc/04/57/83/148045783.db2.gz KCSIBRPASHAKIR-QFBILLFUSA-N 1 3 317.477 2.153 20 0 DEADHO COc1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000370697288 148045786 /nfs/dbraw/zinc/04/57/86/148045786.db2.gz KCSIBRPASHAKIR-QFBILLFUSA-N 1 3 317.477 2.153 20 0 DEADHO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@]1(F)CCNC1 ZINC000371270386 148079044 /nfs/dbraw/zinc/07/90/44/148079044.db2.gz DXZRGSVZBLETNH-GOSISDBHSA-N 1 3 319.424 2.355 20 0 DEADHO CC(C)[NH2+]C1CCN(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000111838602 401725497 /nfs/dbraw/zinc/72/54/97/401725497.db2.gz GOFJSPVVPLBDQX-HZPDHXFCSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)C[C@@H]1CCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000074995354 401746307 /nfs/dbraw/zinc/74/63/07/401746307.db2.gz UGMCHFKBJGHORZ-INIZCTEOSA-N 1 3 309.498 2.343 20 0 DEADHO CCC(=O)N1CC[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000126357600 401691151 /nfs/dbraw/zinc/69/11/51/401691151.db2.gz GDIFVRZWPQSQAV-INIZCTEOSA-N 1 3 307.482 2.384 20 0 DEADHO CCN1CCC(NC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000129008215 401797770 /nfs/dbraw/zinc/79/77/70/401797770.db2.gz LFJRGWCOZXZVTD-MRXNPFEDSA-N 1 3 324.513 2.138 20 0 DEADHO CCN1CCC(NC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000129008215 401797773 /nfs/dbraw/zinc/79/77/73/401797773.db2.gz LFJRGWCOZXZVTD-MRXNPFEDSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cccc(F)c1 ZINC000128157188 401765328 /nfs/dbraw/zinc/76/53/28/401765328.db2.gz JASKLKWUUAXVPY-HIFRSBDPSA-N 1 3 307.413 2.064 20 0 DEADHO CC[C@@]1(C)CCCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000075998167 401776619 /nfs/dbraw/zinc/77/66/19/401776619.db2.gz YRTIEUFDVXPEIM-SFHVURJKSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(CN2CCCC2=O)cc1 ZINC000128516887 401780794 /nfs/dbraw/zinc/78/07/94/401780794.db2.gz OMLVOSUGUHGEMU-QAPCUYQASA-N 1 3 315.461 2.239 20 0 DEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(CN2CCCC2=O)cc1 ZINC000128516887 401780796 /nfs/dbraw/zinc/78/07/96/401780796.db2.gz OMLVOSUGUHGEMU-QAPCUYQASA-N 1 3 315.461 2.239 20 0 DEADHO CN(C)C[C@H]1CC[N@H+](CCCOc2ccc3c(c2)OCO3)C1 ZINC000113515654 401781134 /nfs/dbraw/zinc/78/11/34/401781134.db2.gz AQXKDZOXPMLOIG-CQSZACIVSA-N 1 3 306.406 2.068 20 0 DEADHO CN(C)C[C@H]1CC[N@@H+](CCCOc2ccc3c(c2)OCO3)C1 ZINC000113515654 401781136 /nfs/dbraw/zinc/78/11/36/401781136.db2.gz AQXKDZOXPMLOIG-CQSZACIVSA-N 1 3 306.406 2.068 20 0 DEADHO CC[C@@H]1CCCC[C@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000077777931 401830711 /nfs/dbraw/zinc/83/07/11/401830711.db2.gz QWUISUWDYCWDFZ-HZPDHXFCSA-N 1 3 312.502 2.090 20 0 DEADHO CC[NH+](CC)CCN(CC(C)C)C(=O)NC1CCN(C)CC1 ZINC000079205601 401871276 /nfs/dbraw/zinc/87/12/76/401871276.db2.gz ZMDVQBNKPJPCRM-UHFFFAOYSA-N 1 3 312.502 2.090 20 0 DEADHO CN1CC[C@@H](N2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000116276642 401847678 /nfs/dbraw/zinc/84/76/78/401847678.db2.gz LQBLEQFXABMRRM-GOSISDBHSA-N 1 3 315.461 2.061 20 0 DEADHO CN1CC[C@@H](N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000116276642 401847680 /nfs/dbraw/zinc/84/76/80/401847680.db2.gz LQBLEQFXABMRRM-GOSISDBHSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@H](CNC(=O)N(C)CC1CC[NH+](C)CC1)N1CCC(C)CC1 ZINC000078441858 401851506 /nfs/dbraw/zinc/85/15/06/401851506.db2.gz AITBPHSIMWGEFP-MRXNPFEDSA-N 1 3 324.513 2.090 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(Cl)c1 ZINC000078489930 401853303 /nfs/dbraw/zinc/85/33/03/401853303.db2.gz XOQAXNAXLSBKIJ-UHFFFAOYSA-N 1 3 312.845 2.297 20 0 DEADHO C[NH+](C)CC[C@@H](NC(=O)N1CC[C@@H](N2CCCC2)C1)C(C)(C)C ZINC000116567266 401854807 /nfs/dbraw/zinc/85/48/07/401854807.db2.gz BEWTWWCNIIYSOT-HZPDHXFCSA-N 1 3 324.513 2.233 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]CC(C)(C)CN(C)C)[C@H](C)C1 ZINC000132127218 401862478 /nfs/dbraw/zinc/86/24/78/401862478.db2.gz PIWKGMVKCKLIEC-IAGOWNOFSA-N 1 3 313.530 2.301 20 0 DEADHO COc1cc(Br)c(CNCCCC[NH3+])cc1OC ZINC000037715396 401916366 /nfs/dbraw/zinc/91/63/66/401916366.db2.gz DHYLJVLRUSJERS-UHFFFAOYSA-N 1 3 317.227 2.295 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCNC(=O)CC1CCCCC1 ZINC000089666719 401957002 /nfs/dbraw/zinc/95/70/02/401957002.db2.gz WQHCBHQDRNIQKH-HLLBOEOZSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCNC(=O)CC1CCCCC1 ZINC000089666719 401957005 /nfs/dbraw/zinc/95/70/05/401957005.db2.gz WQHCBHQDRNIQKH-HLLBOEOZSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000045409796 401957053 /nfs/dbraw/zinc/95/70/53/401957053.db2.gz SUMUZAXWOBKIHA-UHFFFAOYSA-N 1 3 322.497 2.033 20 0 DEADHO COc1ccc2c(c1)[C@H]([NH2+]C1CCN(CCN(C)C)CC1)CC2 ZINC000150962268 402007167 /nfs/dbraw/zinc/00/71/67/402007167.db2.gz LGQYSSZFLKZTNJ-LJQANCHMSA-N 1 3 317.477 2.298 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1ccccc1OCCN(C)C ZINC000122330815 402073230 /nfs/dbraw/zinc/07/32/30/402073230.db2.gz UTNMDYTUZJCCDT-NUJGCVRESA-N 1 3 319.493 2.445 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1ccccc1OCCN(C)C ZINC000122330815 402073232 /nfs/dbraw/zinc/07/32/32/402073232.db2.gz UTNMDYTUZJCCDT-NUJGCVRESA-N 1 3 319.493 2.445 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CN1C1CC1 ZINC000122177609 402065256 /nfs/dbraw/zinc/06/52/56/402065256.db2.gz JLLLBRFGHJLZBF-UKRRQHHQSA-N 1 3 322.497 2.174 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc3c2OCO3)C[C@H](C)O1 ZINC000067452657 402159492 /nfs/dbraw/zinc/15/94/92/402159492.db2.gz NVUVVUAYLOOABW-GASCZTMLSA-N 1 3 320.433 2.394 20 0 DEADHO COc1ccc(C[NH+]2CCC(CNCc3ncc[nH]3)CC2)cc1 ZINC000067694921 402167794 /nfs/dbraw/zinc/16/77/94/402167794.db2.gz RDCLXRFMLMRBCI-UHFFFAOYSA-N 1 3 314.433 2.420 20 0 DEADHO CCN1CCN(CCCC[NH2+][C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000154532268 402217117 /nfs/dbraw/zinc/21/71/17/402217117.db2.gz QMQXMHUOASQVRG-INIZCTEOSA-N 1 3 311.514 2.340 20 0 DEADHO C[C@@H]([NH2+]C[C@H]1CCCN1C)c1cccc(OCCN(C)C)c1 ZINC000154551217 402218184 /nfs/dbraw/zinc/21/81/84/402218184.db2.gz HRWVURMGUAARAB-NVXWUHKLSA-N 1 3 305.466 2.372 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])[C@H](C)CC)N(C)C)cc1 ZINC000155605862 402262438 /nfs/dbraw/zinc/26/24/38/402262438.db2.gz XHKVWRZNHMPJRQ-XYPHTWIQSA-N 1 3 305.466 2.341 20 0 DEADHO C[C@H](CNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)N(C)C1CC1 ZINC000105126341 402205933 /nfs/dbraw/zinc/20/59/33/402205933.db2.gz XJOKXFYUUIRSLP-RHSMWYFYSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H]1CCC[C@@](CNC(=O)N2CCC[C@H](N(C)C)C2)([NH+](C)C)C1 ZINC000105173816 402207057 /nfs/dbraw/zinc/20/70/57/402207057.db2.gz IMSRKYLWAHDOKQ-SOLBZPMBSA-N 1 3 324.513 2.233 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000176559131 402319405 /nfs/dbraw/zinc/31/94/05/402319405.db2.gz SKMPCWICJAXYGY-DOTOQJQBSA-N 1 3 322.497 2.129 20 0 DEADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000176559145 402319525 /nfs/dbraw/zinc/31/95/25/402319525.db2.gz SKMPCWICJAXYGY-RDJZCZTQSA-N 1 3 322.497 2.129 20 0 DEADHO c1ccc(CCN2CC[C@H](C[NH2+]CC3=CCCOC3)C2)cc1 ZINC000176834711 402341611 /nfs/dbraw/zinc/34/16/11/402341611.db2.gz OCYIQMZUHIGPOY-GOSISDBHSA-N 1 3 300.446 2.487 20 0 DEADHO c1ccc(CC[N@@H+]2CC[C@H](CNCC3=CCCOC3)C2)cc1 ZINC000176834711 402341613 /nfs/dbraw/zinc/34/16/13/402341613.db2.gz OCYIQMZUHIGPOY-GOSISDBHSA-N 1 3 300.446 2.487 20 0 DEADHO c1ccc(CC[N@H+]2CC[C@H](CNCC3=CCCOC3)C2)cc1 ZINC000176834711 402341615 /nfs/dbraw/zinc/34/16/15/402341615.db2.gz OCYIQMZUHIGPOY-GOSISDBHSA-N 1 3 300.446 2.487 20 0 DEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)NC[C@H](C)N(C)C1CC1 ZINC000185373559 402348087 /nfs/dbraw/zinc/34/80/87/402348087.db2.gz YGUAHXQMJWHTRD-CABCVRRESA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185790855 402377722 /nfs/dbraw/zinc/37/77/22/402377722.db2.gz VTJISZJMHZTDHH-MRXNPFEDSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@H](CC(=O)NC[C@@H](C)N1CCC(C)CC1)C1CC[NH2+]CC1 ZINC000236723471 402378519 /nfs/dbraw/zinc/37/85/19/402378519.db2.gz DAHVNUDCEXDAPF-HZPDHXFCSA-N 1 3 309.498 2.249 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CN)c1ccccc1 ZINC000236749586 402380436 /nfs/dbraw/zinc/38/04/36/402380436.db2.gz XLGKXVCDUIFZJX-MSOLQXFVSA-N 1 3 317.477 2.500 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CN)c1ccccc1 ZINC000236749586 402380437 /nfs/dbraw/zinc/38/04/37/402380437.db2.gz XLGKXVCDUIFZJX-MSOLQXFVSA-N 1 3 317.477 2.500 20 0 DEADHO CCCC[C@@H](N)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000236767793 402381487 /nfs/dbraw/zinc/38/14/87/402381487.db2.gz LOPQNQYKJMZVSW-QZTJIDSGSA-N 1 3 317.477 2.185 20 0 DEADHO CCCC[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000236767793 402381489 /nfs/dbraw/zinc/38/14/89/402381489.db2.gz LOPQNQYKJMZVSW-QZTJIDSGSA-N 1 3 317.477 2.185 20 0 DEADHO CCC[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000236874768 402386647 /nfs/dbraw/zinc/38/66/47/402386647.db2.gz YXPTXHAAQKPQCM-IRXDYDNUSA-N 1 3 319.449 2.076 20 0 DEADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000186094465 402400682 /nfs/dbraw/zinc/40/06/82/402400682.db2.gz PQZAIAYRFYXJNN-ULQDDVLXSA-N 1 3 324.513 2.375 20 0 DEADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000186094430 402400851 /nfs/dbraw/zinc/40/08/51/402400851.db2.gz PQZAIAYRFYXJNN-YESZJQIVSA-N 1 3 324.513 2.375 20 0 DEADHO C[C@H]1C[C@H](NC(=O)C2(N)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000237562221 402413191 /nfs/dbraw/zinc/41/31/91/402413191.db2.gz MFNLPZWMTLOICP-DOTOQJQBSA-N 1 3 315.461 2.427 20 0 DEADHO C[C@H]1C[C@H](NC(=O)C2(N)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000237562221 402413195 /nfs/dbraw/zinc/41/31/95/402413195.db2.gz MFNLPZWMTLOICP-DOTOQJQBSA-N 1 3 315.461 2.427 20 0 DEADHO [NH3+]C1(C(=O)NC2CCN(Cc3ccccc3)CC2)CCCC1 ZINC000237907674 402425908 /nfs/dbraw/zinc/42/59/08/402425908.db2.gz ZNICLZUCIFICMD-UHFFFAOYSA-N 1 3 301.434 2.039 20 0 DEADHO O=C(NC[C@@H]1CCC[NH2+]C1)c1cccc(CN2CCCC2)c1 ZINC000237939631 402426475 /nfs/dbraw/zinc/42/64/75/402426475.db2.gz FNLGVHOKDKCOLT-MRXNPFEDSA-N 1 3 301.434 2.012 20 0 DEADHO O=C(CC1CC[NH2+]CC1)N1CCN(CC2CCCCC2)CC1 ZINC000238130578 402439086 /nfs/dbraw/zinc/43/90/86/402439086.db2.gz WGBAEMNYPKGSAI-UHFFFAOYSA-N 1 3 307.482 2.101 20 0 DEADHO CC(C)[C@@]1(C)C[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000185927779 402390237 /nfs/dbraw/zinc/39/02/37/402390237.db2.gz IFNHOMCQUUQEAA-PKOBYXMFSA-N 1 3 321.509 2.343 20 0 DEADHO CC[NH2+]CC1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000237043006 402392949 /nfs/dbraw/zinc/39/29/49/402392949.db2.gz ZSXQLQGXRXRTBE-UHFFFAOYSA-N 1 3 303.450 2.210 20 0 DEADHO CCN1CCC[C@H](NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000246113379 402511257 /nfs/dbraw/zinc/51/12/57/402511257.db2.gz HWZGUDJKDNIHJJ-IRXDYDNUSA-N 1 3 322.497 2.034 20 0 DEADHO CCN1CCC[C@H](NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000246113379 402511258 /nfs/dbraw/zinc/51/12/58/402511258.db2.gz HWZGUDJKDNIHJJ-IRXDYDNUSA-N 1 3 322.497 2.034 20 0 DEADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000245392665 402454792 /nfs/dbraw/zinc/45/47/92/402454792.db2.gz BISLOYBBHCQFRL-DOTOQJQBSA-N 1 3 320.481 2.319 20 0 DEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000245392665 402454794 /nfs/dbraw/zinc/45/47/94/402454794.db2.gz BISLOYBBHCQFRL-DOTOQJQBSA-N 1 3 320.481 2.319 20 0 DEADHO CN1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1=O ZINC000245675737 402478588 /nfs/dbraw/zinc/47/85/88/402478588.db2.gz HZZLZZMFSVSIRV-ZJPYXAASSA-N 1 3 313.445 2.002 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)C[C@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000166330297 402483894 /nfs/dbraw/zinc/48/38/94/402483894.db2.gz QWQRYJVKRRMLMF-QZTJIDSGSA-N 1 3 315.461 2.390 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)C(C)(C)C[NH3+])CCN1Cc1ccccc1 ZINC000167542050 402491612 /nfs/dbraw/zinc/49/16/12/402491612.db2.gz LNARLHFWEKZEQX-GDBMZVCRSA-N 1 3 303.450 2.141 20 0 DEADHO C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000167544861 402492245 /nfs/dbraw/zinc/49/22/45/402492245.db2.gz UPSCXGJTARAMAC-YQQAZPJKSA-N 1 3 303.450 2.011 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000245894252 402494497 /nfs/dbraw/zinc/49/44/97/402494497.db2.gz MVHIVOSIOIRUFG-AEFFLSMTSA-N 1 3 317.477 2.498 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000245894252 402494499 /nfs/dbraw/zinc/49/44/99/402494499.db2.gz MVHIVOSIOIRUFG-AEFFLSMTSA-N 1 3 317.477 2.498 20 0 DEADHO CC(C)[NH2+]CCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000169119042 402500100 /nfs/dbraw/zinc/50/01/00/402500100.db2.gz SCKWVPNKKOBQAA-WMZOPIPTSA-N 1 3 317.477 2.401 20 0 DEADHO Cc1ccc2cc(CN(CCO)C3CC[NH+](C)CC3)ccc2n1 ZINC000189502702 402541665 /nfs/dbraw/zinc/54/16/65/402541665.db2.gz QPGIVLXQOKOOQL-UHFFFAOYSA-N 1 3 313.445 2.432 20 0 DEADHO CC[NH+](CC)CCCN1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000170794139 402526096 /nfs/dbraw/zinc/52/60/96/402526096.db2.gz RRMAQRUJJFORMW-KSZLIROESA-N 1 3 311.514 2.292 20 0 DEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)[C@@H](CN)c2ccccc2)C1 ZINC000178705142 402528750 /nfs/dbraw/zinc/52/87/50/402528750.db2.gz WDDMVJAIIIBXBQ-WMZOPIPTSA-N 1 3 317.477 2.357 20 0 DEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@@H](CN)c2ccccc2)C1 ZINC000178705142 402528752 /nfs/dbraw/zinc/52/87/52/402528752.db2.gz WDDMVJAIIIBXBQ-WMZOPIPTSA-N 1 3 317.477 2.357 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000248865501 402611841 /nfs/dbraw/zinc/61/18/41/402611841.db2.gz GPQLNWQRKODMND-BRWVUGGUSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000248865501 402611844 /nfs/dbraw/zinc/61/18/44/402611844.db2.gz GPQLNWQRKODMND-BRWVUGGUSA-N 1 3 324.513 2.280 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000182698052 402709284 /nfs/dbraw/zinc/70/92/84/402709284.db2.gz FLLFSPOGOAMLQT-WBVHZDCISA-N 1 3 309.498 2.474 20 0 DEADHO CC[NH+](CC)CCCC1CCN(CC(=O)N(C)C2CC2)CC1 ZINC000182744782 402713781 /nfs/dbraw/zinc/71/37/81/402713781.db2.gz SGDVQFZCGKIDAM-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000261610532 402714463 /nfs/dbraw/zinc/71/44/63/402714463.db2.gz AYVLGQUXVFGBNK-NJAFHUGGSA-N 1 3 315.461 2.328 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000172613175 402666302 /nfs/dbraw/zinc/66/63/02/402666302.db2.gz HHCLXKHKOGZQHG-UHFFFAOYSA-N 1 3 303.450 2.354 20 0 DEADHO CN1CCC[C@H](C[N@H+](C)C[C@@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000172820072 402677186 /nfs/dbraw/zinc/67/71/86/402677186.db2.gz DSNVOCYCNQPIGC-DOTOQJQBSA-N 1 3 317.433 2.285 20 0 DEADHO CN1CCC[C@H](C[N@@H+](C)C[C@@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000172820072 402677190 /nfs/dbraw/zinc/67/71/90/402677190.db2.gz DSNVOCYCNQPIGC-DOTOQJQBSA-N 1 3 317.433 2.285 20 0 DEADHO CN(C)Cc1cccc(C(=O)Nc2ccc(OCC[NH3+])cc2)c1 ZINC000183262074 402751834 /nfs/dbraw/zinc/75/18/34/402751834.db2.gz RYAGMULNHRMVRS-UHFFFAOYSA-N 1 3 313.401 2.338 20 0 DEADHO CN(C)[C@H](CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+])c1ccccc1 ZINC000263296076 402755432 /nfs/dbraw/zinc/75/54/32/402755432.db2.gz WIXVJXYCEWMNTG-JFIYKMOQSA-N 1 3 303.450 2.313 20 0 DEADHO CC[C@@H](C)[C@H](C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000183530697 402773926 /nfs/dbraw/zinc/77/39/26/402773926.db2.gz HQZNBGSEQBBWNY-CABCVRRESA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)N(C)C1CC1 ZINC000175732560 402827259 /nfs/dbraw/zinc/82/72/59/402827259.db2.gz HDHHYTQMMJACPU-AWEZNQCLSA-N 1 3 322.497 2.175 20 0 DEADHO CCN1CCC[C@H](NC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000194135146 402785762 /nfs/dbraw/zinc/78/57/62/402785762.db2.gz JJFHWGGBVXAXMD-KRWDZBQOSA-N 1 3 318.465 2.032 20 0 DEADHO CC[NH+](CC)CCOc1ccc(NC(=O)/C=C/CN(C)C)cc1 ZINC000265588277 402931217 /nfs/dbraw/zinc/93/12/17/402931217.db2.gz AHNGBFGETNGQEA-BQYQJAHWSA-N 1 3 319.449 2.464 20 0 DEADHO C[N@H+](CCCN1CCCCC1)[C@H](CC(N)=O)c1ccccc1 ZINC000280501195 403006621 /nfs/dbraw/zinc/00/66/21/403006621.db2.gz MXRBPTWMYWGNEV-QGZVFWFLSA-N 1 3 303.450 2.411 20 0 DEADHO C[N@@H+](CCCN1CCCCC1)[C@H](CC(N)=O)c1ccccc1 ZINC000280501195 403006623 /nfs/dbraw/zinc/00/66/23/403006623.db2.gz MXRBPTWMYWGNEV-QGZVFWFLSA-N 1 3 303.450 2.411 20 0 DEADHO Cc1ccncc1CNCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000280308325 402986406 /nfs/dbraw/zinc/98/64/06/402986406.db2.gz OMUHCNFWRATRQG-IBGZPJMESA-N 1 3 311.429 2.246 20 0 DEADHO Cc1ccncc1CNCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000280308325 402986408 /nfs/dbraw/zinc/98/64/08/402986408.db2.gz OMUHCNFWRATRQG-IBGZPJMESA-N 1 3 311.429 2.246 20 0 DEADHO Cc1ccnc(NCCCN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000268303374 403071751 /nfs/dbraw/zinc/07/17/51/403071751.db2.gz HVRYYQACGBVQEG-UHFFFAOYSA-N 1 3 311.433 2.409 20 0 DEADHO CC(C)[C@H](C)[N@H+](C)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000274656143 403075265 /nfs/dbraw/zinc/07/52/65/403075265.db2.gz ODQZJBMCJHJCFG-DOTOQJQBSA-N 1 3 305.466 2.382 20 0 DEADHO CC(C)[C@H](C)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000274656143 403075266 /nfs/dbraw/zinc/07/52/66/403075266.db2.gz ODQZJBMCJHJCFG-DOTOQJQBSA-N 1 3 305.466 2.382 20 0 DEADHO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@H](C1CC1)N1CCCC1 ZINC000566638644 292257667 /nfs/dbraw/zinc/25/76/67/292257667.db2.gz SKEBFXPDYKKTKD-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@H](C1CC1)N1CCCC1 ZINC000566638644 292257668 /nfs/dbraw/zinc/25/76/68/292257668.db2.gz SKEBFXPDYKKTKD-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO COc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)CN1CCCC1)CCC2 ZINC000268824318 403118256 /nfs/dbraw/zinc/11/82/56/403118256.db2.gz ISGYPNUJJROENH-MAUKXSAKSA-N 1 3 304.434 2.119 20 0 DEADHO OC1CCN(Cc2ccccc2C[NH2+]CC2=CCCOC2)CC1 ZINC000269266084 403126138 /nfs/dbraw/zinc/12/61/38/403126138.db2.gz DIKFSHNIXVEOKO-UHFFFAOYSA-N 1 3 316.445 2.080 20 0 DEADHO OC1CC[NH+](Cc2ccccc2CNCC2=CCCOC2)CC1 ZINC000269266084 403126142 /nfs/dbraw/zinc/12/61/42/403126142.db2.gz DIKFSHNIXVEOKO-UHFFFAOYSA-N 1 3 316.445 2.080 20 0 DEADHO Cc1ccccc1C[C@@H]([NH2+]CC1(O)CCN(C)CC1)C1CC1 ZINC000284190643 403252930 /nfs/dbraw/zinc/25/29/30/403252930.db2.gz GEIYJBVBRAJVQE-GOSISDBHSA-N 1 3 302.462 2.362 20 0 DEADHO COC1CC([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)C1 ZINC000342836094 403366761 /nfs/dbraw/zinc/36/67/61/403366761.db2.gz GKEGUOOXFCRVIK-UHFFFAOYSA-N 1 3 304.434 2.427 20 0 DEADHO c1cnn(CC[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c1 ZINC000285763433 403374117 /nfs/dbraw/zinc/37/41/17/403374117.db2.gz ZODQIKZRYJIPGN-IBGZPJMESA-N 1 3 310.445 2.481 20 0 DEADHO c1cnn(CC[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c1 ZINC000285763433 403374121 /nfs/dbraw/zinc/37/41/21/403374121.db2.gz ZODQIKZRYJIPGN-IBGZPJMESA-N 1 3 310.445 2.481 20 0 DEADHO Cc1cc(NC(=O)[C@H](C)C[NH3+])ccc1OCCN1CCCC1 ZINC000285787730 403380338 /nfs/dbraw/zinc/38/03/38/403380338.db2.gz OKGJNASXTJUDCI-CQSZACIVSA-N 1 3 305.422 2.003 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)N(CC)CC ZINC000339459583 403383446 /nfs/dbraw/zinc/38/34/46/403383446.db2.gz BCECHQFBKYWRGU-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@](O)(CNC1CC[NH+](C2CC2)CC1)c1ccc(F)cc1F ZINC000298475876 403391500 /nfs/dbraw/zinc/39/15/00/403391500.db2.gz PFNCANRRRSJHQA-KRWDZBQOSA-N 1 3 310.388 2.389 20 0 DEADHO CC[NH+](CC)Cc1cccc(CNC[C@@H](C)S(C)(=O)=O)c1 ZINC000566850669 292272357 /nfs/dbraw/zinc/27/23/57/292272357.db2.gz NXSDQDZOUCRMHA-CQSZACIVSA-N 1 3 312.479 2.051 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2CC(C)(C)[C@H]3CCC[C@H]32)CC1 ZINC000339715251 403427714 /nfs/dbraw/zinc/42/77/14/403427714.db2.gz CGPYQRQEZJHRQK-DLBZAZTESA-N 1 3 321.509 2.486 20 0 DEADHO CC[NH+](CC)C[C@H](C)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000339945928 403501640 /nfs/dbraw/zinc/50/16/40/403501640.db2.gz VGJDSHIMRBCSEM-HNNXBMFYSA-N 1 3 320.481 2.278 20 0 DEADHO C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000287391818 403589621 /nfs/dbraw/zinc/58/96/21/403589621.db2.gz VNZYRRKRVIWJMQ-RDJZCZTQSA-N 1 3 318.465 2.073 20 0 DEADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H](O)C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000340286686 403576796 /nfs/dbraw/zinc/57/67/96/403576796.db2.gz TZBKUBCUWNWGFB-BFYDXBDKSA-N 1 3 312.498 2.215 20 0 DEADHO C[C@H](C[N@H+](C)CC1CCCCC1)NC(=O)C1(N(C)C)CCC1 ZINC001422828799 1172879042 /nfs/dbraw/zinc/87/90/42/1172879042.db2.gz UUZJBIYSTWQRBB-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](C[N@@H+](C)CC1CCCCC1)NC(=O)C1(N(C)C)CCC1 ZINC001422828799 1172879048 /nfs/dbraw/zinc/87/90/48/1172879048.db2.gz UUZJBIYSTWQRBB-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CCCCCN1CCCC1 ZINC000340477393 403623878 /nfs/dbraw/zinc/62/38/78/403623878.db2.gz VYGRXONFXCJZDC-CVEARBPZSA-N 1 3 316.511 2.198 20 0 DEADHO c1cc(N2CCC([NH2+]C[C@@H]3CCN(C4CC4)C3)CC2)ccn1 ZINC000294256338 403685028 /nfs/dbraw/zinc/68/50/28/403685028.db2.gz QKUHDFZTVDUJER-HNNXBMFYSA-N 1 3 300.450 2.124 20 0 DEADHO CN(CCCNC(=O)C[C@@H]1CCC[C@H]1[NH3+])Cc1ccccc1 ZINC000294261650 403687290 /nfs/dbraw/zinc/68/72/90/403687290.db2.gz ZZTCJPUCTBMGQX-DLBZAZTESA-N 1 3 303.450 2.142 20 0 DEADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC2=CCN(C)CC2)C1 ZINC000343712260 403702289 /nfs/dbraw/zinc/70/22/89/403702289.db2.gz HMAGRGIRZATSGD-HNNXBMFYSA-N 1 3 322.497 2.058 20 0 DEADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC2=CCN(C)CC2)C1 ZINC000343712260 403702294 /nfs/dbraw/zinc/70/22/94/403702294.db2.gz HMAGRGIRZATSGD-HNNXBMFYSA-N 1 3 322.497 2.058 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CCN1C ZINC000340935882 403704024 /nfs/dbraw/zinc/70/40/24/403704024.db2.gz IUNFJDSSOUEZTK-PVAVHDDUSA-N 1 3 324.513 2.279 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H](C)N2CCCC[C@H]2C)C1 ZINC000340934630 403704069 /nfs/dbraw/zinc/70/40/69/403704069.db2.gz MCMGPHUFOGYRRB-IXDOHACOSA-N 1 3 324.513 2.375 20 0 DEADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000333250371 403707296 /nfs/dbraw/zinc/70/72/96/403707296.db2.gz GQHLTHJPSZGJHN-IAGOWNOFSA-N 1 3 309.498 2.129 20 0 DEADHO C[C@H](Cn1cc(Br)cn1)NCc1ccc(C[NH3+])cc1 ZINC000567110496 292289770 /nfs/dbraw/zinc/28/97/70/292289770.db2.gz IELKEVPHCKJXNB-LLVKDONJSA-N 1 3 323.238 2.283 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CCCN1C ZINC000343763211 403722461 /nfs/dbraw/zinc/72/24/61/403722461.db2.gz HZWNGSPKPZQXCT-HYVNUMGLSA-N 1 3 324.513 2.279 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000347493776 403730084 /nfs/dbraw/zinc/73/00/84/403730084.db2.gz REZNOHANXJVLAA-KRWDZBQOSA-N 1 3 324.513 2.234 20 0 DEADHO O=C(NCC[NH2+]C1CCCCCC1)c1ccc2c(c1)CNC2 ZINC000347529019 403742684 /nfs/dbraw/zinc/74/26/84/403742684.db2.gz XAUZHTBVGVNXKG-UHFFFAOYSA-N 1 3 301.434 2.332 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000343813451 403743396 /nfs/dbraw/zinc/74/33/96/403743396.db2.gz CHCVYSYTMDWPGP-CVEARBPZSA-N 1 3 312.502 2.280 20 0 DEADHO CSc1ccc(OC[C@H](O)C[NH2+]CC[C@H](C)N(C)C)cc1 ZINC001120583361 782007568 /nfs/dbraw/zinc/00/75/68/782007568.db2.gz VLCUIRUPRQHICV-UONOGXRCSA-N 1 3 312.479 2.078 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000303479914 403755185 /nfs/dbraw/zinc/75/51/85/403755185.db2.gz PPYCJBIQWHRMLS-IAGOWNOFSA-N 1 3 324.513 2.425 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000303479914 403755189 /nfs/dbraw/zinc/75/51/89/403755189.db2.gz PPYCJBIQWHRMLS-IAGOWNOFSA-N 1 3 324.513 2.425 20 0 DEADHO NC[C@@H](NC(=O)[C@]12CCC[C@@H]1C[NH2+]C2)c1ccc2ccccc2c1 ZINC000295104337 403761332 /nfs/dbraw/zinc/76/13/32/403761332.db2.gz VIXRGRPTMUFXHO-GGPKGHCWSA-N 1 3 323.440 2.346 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000351627302 403813924 /nfs/dbraw/zinc/81/39/24/403813924.db2.gz GDRHKZQUGYPTGQ-CVEARBPZSA-N 1 3 324.513 2.233 20 0 DEADHO CCC[NH2+][C@@H](C)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000295268739 403822210 /nfs/dbraw/zinc/82/22/10/403822210.db2.gz VNRLHZWFDICUPR-LSDHHAIUSA-N 1 3 323.506 2.464 20 0 DEADHO C[C@@H]1CN(C(=O)NCCN2CCC3(CCCCC3)CC2)C[C@@H]1[NH3+] ZINC000333719827 403831922 /nfs/dbraw/zinc/83/19/22/403831922.db2.gz GLCDBKUXEVBOQS-CVEARBPZSA-N 1 3 322.497 2.021 20 0 DEADHO CN1CCC[C@@]2(CCN(C(=O)N[C@@H](C[NH3+])C3CCCCC3)C2)C1 ZINC000333764013 403851691 /nfs/dbraw/zinc/85/16/91/403851691.db2.gz AXAKFMZMAKHLDX-FUHWJXTLSA-N 1 3 322.497 2.021 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000344042685 403870467 /nfs/dbraw/zinc/87/04/67/403870467.db2.gz BMFHNTZGIYNOCB-KONPQCLYSA-N 1 3 309.498 2.486 20 0 DEADHO CCCNC(=O)CC[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000347879546 403927149 /nfs/dbraw/zinc/92/71/49/403927149.db2.gz OPLHYKXHMQZUDK-AEFFLSMTSA-N 1 3 317.477 2.403 20 0 DEADHO CCCNC(=O)CCN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347879546 403927157 /nfs/dbraw/zinc/92/71/57/403927157.db2.gz OPLHYKXHMQZUDK-AEFFLSMTSA-N 1 3 317.477 2.403 20 0 DEADHO CCCNC(=O)CCN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347879546 403927165 /nfs/dbraw/zinc/92/71/65/403927165.db2.gz OPLHYKXHMQZUDK-AEFFLSMTSA-N 1 3 317.477 2.403 20 0 DEADHO O[C@@H](CNC1CC(c2cc(F)cc(F)c2)C1)C[NH+]1CCCC1 ZINC000347884659 403930040 /nfs/dbraw/zinc/93/00/40/403930040.db2.gz XCKSRQRHYJUKMO-IMRCBTMISA-N 1 3 310.388 2.257 20 0 DEADHO COCCN(C)Cc1cc(Cl)cc(C[N@H+](C)CCOC)c1 ZINC000295456254 403935979 /nfs/dbraw/zinc/93/59/79/403935979.db2.gz HLXORZPYDKFTRJ-UHFFFAOYSA-N 1 3 314.857 2.496 20 0 DEADHO COCCN(C)Cc1cc(Cl)cc(C[N@@H+](C)CCOC)c1 ZINC000295456254 403935985 /nfs/dbraw/zinc/93/59/85/403935985.db2.gz HLXORZPYDKFTRJ-UHFFFAOYSA-N 1 3 314.857 2.496 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000344240299 404001187 /nfs/dbraw/zinc/00/11/87/404001187.db2.gz BZIMABYRYNDSGQ-MAUKXSAKSA-N 1 3 315.461 2.280 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000290076380 404030802 /nfs/dbraw/zinc/03/08/02/404030802.db2.gz VUMCPVBNUPHELJ-ILXRZTDVSA-N 1 3 321.490 2.389 20 0 DEADHO C[C@@H]1C[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000344193598 403970317 /nfs/dbraw/zinc/97/03/17/403970317.db2.gz NSYBLHBALJYKIJ-NXHRZFHOSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1C[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000344193598 403970320 /nfs/dbraw/zinc/97/03/20/403970320.db2.gz NSYBLHBALJYKIJ-NXHRZFHOSA-N 1 3 315.461 2.107 20 0 DEADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000290232008 404092732 /nfs/dbraw/zinc/09/27/32/404092732.db2.gz URQXMGYAPYTLQO-LSDHHAIUSA-N 1 3 319.449 2.262 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccncc1C ZINC000296057340 404073247 /nfs/dbraw/zinc/07/32/47/404073247.db2.gz PAOZHUHJZYSQTK-GOSISDBHSA-N 1 3 304.482 2.238 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccncc1C ZINC000296057340 404073252 /nfs/dbraw/zinc/07/32/52/404073252.db2.gz PAOZHUHJZYSQTK-GOSISDBHSA-N 1 3 304.482 2.238 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]C[C@]2(C)CCOC2)CC1 ZINC000344390675 404104235 /nfs/dbraw/zinc/10/42/35/404104235.db2.gz XTEUYVJASTUMHN-IBGZPJMESA-N 1 3 317.477 2.345 20 0 DEADHO Cc1ccc(NC(=O)[C@H](C)NC2CC2)c(OCC[NH+](C)C)c1 ZINC000296171210 404125742 /nfs/dbraw/zinc/12/57/42/404125742.db2.gz XEGCIJLSDACGKR-ZDUSSCGKSA-N 1 3 305.422 2.014 20 0 DEADHO C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C)N1[C@@H](C)CC[C@@H]1C ZINC000412338494 404253496 /nfs/dbraw/zinc/25/34/96/404253496.db2.gz AQKJYECEXLEONH-ZOFXXKQRSA-N 1 3 307.482 2.333 20 0 DEADHO Cc1ncc([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)c(C)n1 ZINC000329191223 404259396 /nfs/dbraw/zinc/25/93/96/404259396.db2.gz SFADDGMAGGDEOK-MORSLUCNSA-N 1 3 318.465 2.122 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@H](C)[NH2+]C1CC1)c1ccsc1 ZINC000296489182 404272826 /nfs/dbraw/zinc/27/28/26/404272826.db2.gz QLOBHHJPFAOQNC-WFASDCNBSA-N 1 3 309.479 2.388 20 0 DEADHO C[C@H](C(=O)NC[C@@H]1N(C)CCCC1(C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000344715641 404325009 /nfs/dbraw/zinc/32/50/09/404325009.db2.gz PACOKGZKZDJKPO-QXSJWSMHSA-N 1 3 309.498 2.484 20 0 DEADHO C[C@H](C(=O)NC[C@@H]1N(C)CCCC1(C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000344715641 404325014 /nfs/dbraw/zinc/32/50/14/404325014.db2.gz PACOKGZKZDJKPO-QXSJWSMHSA-N 1 3 309.498 2.484 20 0 DEADHO C[C@H]1CN(C(=O)CC2CCN(C)CC2)CC[N@@H+](C2CCC2)C1 ZINC000344780890 404363778 /nfs/dbraw/zinc/36/37/78/404363778.db2.gz VNRLRUZGALTUOG-OAHLLOKOSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1CN(C(=O)CC2CCN(C)CC2)CC[N@H+](C2CCC2)C1 ZINC000344780890 404363783 /nfs/dbraw/zinc/36/37/83/404363783.db2.gz VNRLRUZGALTUOG-OAHLLOKOSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CN(C(=O)CC2CCN(C)CC2)CC[N@@H+](C2CCC2)C1 ZINC000344780889 404364514 /nfs/dbraw/zinc/36/45/14/404364514.db2.gz VNRLRUZGALTUOG-HNNXBMFYSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CN(C(=O)CC2CCN(C)CC2)CC[N@H+](C2CCC2)C1 ZINC000344780889 404364516 /nfs/dbraw/zinc/36/45/16/404364516.db2.gz VNRLRUZGALTUOG-HNNXBMFYSA-N 1 3 307.482 2.051 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCCOc3ccc4c(c3)OCO4)C[C@@H]21 ZINC000342116816 404377769 /nfs/dbraw/zinc/37/77/69/404377769.db2.gz YTZFFYVAGUJJHO-VNQPRFMTSA-N 1 3 318.417 2.243 20 0 DEADHO CC[C@@H](C(N)=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291436493 404384378 /nfs/dbraw/zinc/38/43/78/404384378.db2.gz JYTAGJQPVVZCMX-KRWDZBQOSA-N 1 3 315.461 2.238 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)CN1CCCCC1 ZINC000350475830 404397968 /nfs/dbraw/zinc/39/79/68/404397968.db2.gz DDBJXZQUPJELJZ-JKSUJKDBSA-N 1 3 310.486 2.034 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)CN1CCCCC1 ZINC000350475830 404397976 /nfs/dbraw/zinc/39/79/76/404397976.db2.gz DDBJXZQUPJELJZ-JKSUJKDBSA-N 1 3 310.486 2.034 20 0 DEADHO COc1cc2nccc(N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)c2cc1OC ZINC000413315454 404423050 /nfs/dbraw/zinc/42/30/50/404423050.db2.gz KSZMGFLANCHJRS-BLLLJJGKSA-N 1 3 313.401 2.392 20 0 DEADHO COc1cc2nccc(N3C[C@@H]4CC[N@@H+](C)[C@@H]4C3)c2cc1OC ZINC000413315454 404423056 /nfs/dbraw/zinc/42/30/56/404423056.db2.gz KSZMGFLANCHJRS-BLLLJJGKSA-N 1 3 313.401 2.392 20 0 DEADHO CCC(CC)[C@H](CNC(=O)NCCN(C)C1CC1)[NH+]1CCCC1 ZINC000352664326 404527012 /nfs/dbraw/zinc/52/70/12/404527012.db2.gz MIZKNKNVFJRBQA-KRWDZBQOSA-N 1 3 324.513 2.280 20 0 DEADHO Cc1[nH]nc2ncc(CN3CCC(CC[NH+](C)C)CC3)cc12 ZINC000352653210 404518353 /nfs/dbraw/zinc/51/83/53/404518353.db2.gz UWPJEGKVTKVXJU-UHFFFAOYSA-N 1 3 301.438 2.430 20 0 DEADHO CC[C@@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cn1 ZINC000352749964 404593329 /nfs/dbraw/zinc/59/33/29/404593329.db2.gz VBYBQUYHIVRRJS-HZPDHXFCSA-N 1 3 309.429 2.498 20 0 DEADHO CC[C@@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cn1 ZINC000352749964 404593341 /nfs/dbraw/zinc/59/33/41/404593341.db2.gz VBYBQUYHIVRRJS-HZPDHXFCSA-N 1 3 309.429 2.498 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000345098033 404546709 /nfs/dbraw/zinc/54/67/09/404546709.db2.gz DMALZLAACFCKEJ-IXDOHACOSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H]1CCC[C@@H](C)C1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414205930 404548676 /nfs/dbraw/zinc/54/86/76/404548676.db2.gz XVYJUJAWEZUEQX-IAGOWNOFSA-N 1 3 323.525 2.197 20 0 DEADHO COCC[N@H+](C)CC[C@@H](NCC1(C)COC1)c1ccccc1 ZINC000352812672 404640980 /nfs/dbraw/zinc/64/09/80/404640980.db2.gz GXVKFAQCCNXEQD-QGZVFWFLSA-N 1 3 306.450 2.322 20 0 DEADHO COCC[N@@H+](C)CC[C@@H](NCC1(C)COC1)c1ccccc1 ZINC000352812672 404640987 /nfs/dbraw/zinc/64/09/87/404640987.db2.gz GXVKFAQCCNXEQD-QGZVFWFLSA-N 1 3 306.450 2.322 20 0 DEADHO Cc1cnn(CC[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000373955071 404655426 /nfs/dbraw/zinc/65/54/26/404655426.db2.gz UGAZPZYXEWGSDD-IAGOWNOFSA-N 1 3 320.481 2.013 20 0 DEADHO CCc1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)cn1 ZINC000352781332 404616248 /nfs/dbraw/zinc/61/62/48/404616248.db2.gz YZVJPQHYGOVMBM-QZTJIDSGSA-N 1 3 303.450 2.111 20 0 DEADHO CC(=O)NCCN(Cc1ccsc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414767988 404728362 /nfs/dbraw/zinc/72/83/62/404728362.db2.gz ULOWIXYABWRUOO-UKRRQHHQSA-N 1 3 309.479 2.074 20 0 DEADHO COc1cc2c(c(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)c1)O[C@@H](C)C2 ZINC000414768435 404729188 /nfs/dbraw/zinc/72/91/88/404729188.db2.gz LOTHLQYJQCWRIR-SOUVJXGZSA-N 1 3 316.445 2.450 20 0 DEADHO CCCN1CCN(c2ccccc2CN(C)C2CC([NH3+])C2)CC1 ZINC000414780004 404733110 /nfs/dbraw/zinc/73/31/10/404733110.db2.gz SBMCHEFZQWDSRO-UHFFFAOYSA-N 1 3 316.493 2.140 20 0 DEADHO CN(Cc1ccccc1N(C)C1CCN(C)CC1)C1CC([NH3+])C1 ZINC000414783026 404733986 /nfs/dbraw/zinc/73/39/86/404733986.db2.gz YRKBFCUVCMXWLT-UHFFFAOYSA-N 1 3 316.493 2.139 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)CCN(C)C1CC1 ZINC000353059268 404734082 /nfs/dbraw/zinc/73/40/82/404734082.db2.gz VRFRQPSVCMQJSV-KRWDZBQOSA-N 1 3 324.513 2.377 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(C)CCN(C)C1CC1 ZINC000353059268 404734089 /nfs/dbraw/zinc/73/40/89/404734089.db2.gz VRFRQPSVCMQJSV-KRWDZBQOSA-N 1 3 324.513 2.377 20 0 DEADHO CCOc1cccc(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414792838 404736889 /nfs/dbraw/zinc/73/68/89/404736889.db2.gz SVUCTLYCPNZSIE-MRXNPFEDSA-N 1 3 304.434 2.273 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc(OC[C@H]2CCCO2)cc1 ZINC000414803274 404739133 /nfs/dbraw/zinc/73/91/33/404739133.db2.gz WJADETQWOMTOIJ-JQHSSLGASA-N 1 3 304.434 2.461 20 0 DEADHO CCN1CCN(c2ccccc2CNCC([NH3+])(CC)CC)CC1 ZINC000414810415 404740032 /nfs/dbraw/zinc/74/00/32/404740032.db2.gz NVOHZHXNXDVMOJ-UHFFFAOYSA-N 1 3 318.509 2.436 20 0 DEADHO C[C@H]([NH3+])CCN[C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000414825926 404743073 /nfs/dbraw/zinc/74/30/73/404743073.db2.gz UQOGDLCNNCDACA-STQMWFEESA-N 1 3 311.857 2.404 20 0 DEADHO COc1ccc(OC(F)F)c(CNCC[C@H]2CC[NH2+]C2)c1 ZINC000414831751 404743460 /nfs/dbraw/zinc/74/34/60/404743460.db2.gz NSQXTSQLUJBPCI-LLVKDONJSA-N 1 3 300.349 2.386 20 0 DEADHO COc1ccc(CNCC[C@H]2CCC[NH2+]C2)c(OC)c1OC ZINC000414855681 404749553 /nfs/dbraw/zinc/74/95/53/404749553.db2.gz XFEOBJRHCQUCNR-CYBMUJFWSA-N 1 3 308.422 2.192 20 0 DEADHO C[C@H](CC(=O)NCCc1ccccc1)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414858383 404749934 /nfs/dbraw/zinc/74/99/34/404749934.db2.gz RSJWJRZGPIUYMJ-NUJGCVRESA-N 1 3 317.477 2.102 20 0 DEADHO CCC[NH2+]CCNCc1ccccc1N(C)C1CCN(C)CC1 ZINC000414876504 404755851 /nfs/dbraw/zinc/75/58/51/404755851.db2.gz WADPYZSQAGKFGD-UHFFFAOYSA-N 1 3 318.509 2.306 20 0 DEADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NC[C@@H](C)C[NH3+] ZINC000414885846 404757865 /nfs/dbraw/zinc/75/78/65/404757865.db2.gz XPGNCBMXKGAHPB-QWHCGFSZSA-N 1 3 311.857 2.261 20 0 DEADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H](C)CN ZINC000414885846 404757867 /nfs/dbraw/zinc/75/78/67/404757867.db2.gz XPGNCBMXKGAHPB-QWHCGFSZSA-N 1 3 311.857 2.261 20 0 DEADHO CN(C)CCOc1cccc(NC(=O)N[C@@H](C[NH3+])C(C)(C)C)c1 ZINC000414892241 404760745 /nfs/dbraw/zinc/76/07/45/404760745.db2.gz WXDFBYSRWZUNTJ-HNNXBMFYSA-N 1 3 322.453 2.122 20 0 DEADHO Cc1csc(N2CCC([NH2+]C[C@]3(C)CCCNC3)CC2)n1 ZINC000414902394 404762220 /nfs/dbraw/zinc/76/22/20/404762220.db2.gz HGVAYRISUOMWNS-MRXNPFEDSA-N 1 3 308.495 2.400 20 0 DEADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)N1CCC[C@@H]2CCCC[C@H]21 ZINC000358519955 404765347 /nfs/dbraw/zinc/76/53/47/404765347.db2.gz ULITUBUOKCKBDT-DLBZAZTESA-N 1 3 319.493 2.243 20 0 DEADHO C[C@H](CN(C)C)NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000358522245 404765555 /nfs/dbraw/zinc/76/55/55/404765555.db2.gz JZIBQFSXRNZYSF-IKGGRYGDSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H](CN(C)C)NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000358522245 404765558 /nfs/dbraw/zinc/76/55/58/404765558.db2.gz JZIBQFSXRNZYSF-IKGGRYGDSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(-n2ccnc2)c(F)c1 ZINC000356873951 404713017 /nfs/dbraw/zinc/71/30/17/404713017.db2.gz XDBNXIONFQTQTR-XJKSGUPXSA-N 1 3 302.397 2.441 20 0 DEADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(-n2ccnc2)c(F)c1 ZINC000356873951 404713021 /nfs/dbraw/zinc/71/30/21/404713021.db2.gz XDBNXIONFQTQTR-XJKSGUPXSA-N 1 3 302.397 2.441 20 0 DEADHO Cc1cccc(C(C)(C)[NH2+]C[C@H]2CCCN(C(=O)CN)C2)c1 ZINC000414713205 404714685 /nfs/dbraw/zinc/71/46/85/404714685.db2.gz TYRKNZJECCAWGL-OAHLLOKOSA-N 1 3 303.450 2.017 20 0 DEADHO C[C@@H]1C[C@H](CNC(C)(C)c2cn(-c3ccccc3)nn2)CC[NH2+]1 ZINC000414713810 404715156 /nfs/dbraw/zinc/71/51/56/404715156.db2.gz UKWSUNFNWWCXRM-HUUCEWRRSA-N 1 3 313.449 2.480 20 0 DEADHO CC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H](C)Cc1ccsc1 ZINC000414752346 404724351 /nfs/dbraw/zinc/72/43/51/404724351.db2.gz BRXIVWBKPGLCES-ZBFHGGJFSA-N 1 3 323.506 2.198 20 0 DEADHO CC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H](C)Cc1ccsc1 ZINC000414752346 404724355 /nfs/dbraw/zinc/72/43/55/404724355.db2.gz BRXIVWBKPGLCES-ZBFHGGJFSA-N 1 3 323.506 2.198 20 0 DEADHO CC(C)C[C@H]([NH3+])CN(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000414754458 404725023 /nfs/dbraw/zinc/72/50/23/404725023.db2.gz GBKFNISIVZKACM-BZSNNMDCSA-N 1 3 304.482 2.380 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)N[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414959708 404777042 /nfs/dbraw/zinc/77/70/42/404777042.db2.gz XNKZUFGRFXHWHY-KCQAQPDRSA-N 1 3 305.422 2.142 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCN[C@@H](C)C2)c1 ZINC000414959708 404777044 /nfs/dbraw/zinc/77/70/44/404777044.db2.gz XNKZUFGRFXHWHY-KCQAQPDRSA-N 1 3 305.422 2.142 20 0 DEADHO CC(C)N1CCc2nc(CN[C@@H]3CC[C@@H](C[NH3+])C3)sc2C1 ZINC000415040736 404794175 /nfs/dbraw/zinc/79/41/75/404794175.db2.gz PHIIKHCYMMMBRD-CHWSQXEVSA-N 1 3 308.495 2.127 20 0 DEADHO [NH3+]C[C@@H]1CC[C@H](NCc2cn(-c3ccc(F)cc3Cl)nn2)C1 ZINC000415048707 404795727 /nfs/dbraw/zinc/79/57/27/404795727.db2.gz XFMVKGWQWCSBTP-PWSUYJOCSA-N 1 3 323.803 2.277 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000376079756 404799445 /nfs/dbraw/zinc/79/94/45/404799445.db2.gz GQFLYWFTFQZEKS-XHSDSOJGSA-N 1 3 322.497 2.033 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000376079756 404799449 /nfs/dbraw/zinc/79/94/49/404799449.db2.gz GQFLYWFTFQZEKS-XHSDSOJGSA-N 1 3 322.497 2.033 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCCN(C(C)C)CC1 ZINC000359925010 404809968 /nfs/dbraw/zinc/80/99/68/404809968.db2.gz PVKVXGLDVDVVIQ-INIZCTEOSA-N 1 3 312.502 2.233 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCCN(C(C)C)CC1 ZINC000359925010 404809972 /nfs/dbraw/zinc/80/99/72/404809972.db2.gz PVKVXGLDVDVVIQ-INIZCTEOSA-N 1 3 312.502 2.233 20 0 DEADHO CCN1CCN(c2cccc(NC[C@]3(C)CC[NH2+]C3)c2)CC1 ZINC000415116838 404811187 /nfs/dbraw/zinc/81/11/87/404811187.db2.gz ZXEOIIFYDSILPB-GOSISDBHSA-N 1 3 302.466 2.240 20 0 DEADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3cccc4c3NCC4)CC2)C1 ZINC000415128308 404814117 /nfs/dbraw/zinc/81/41/17/404814117.db2.gz SEXNBPAPBJWZLR-ZWKOTPCHSA-N 1 3 315.461 2.373 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000415566032 404885900 /nfs/dbraw/zinc/88/59/00/404885900.db2.gz IPBRXVWEDUUTPE-OAHLLOKOSA-N 1 3 304.438 2.053 20 0 DEADHO C[C@H]1OCC[C@@]1(O)CNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000378224405 404900747 /nfs/dbraw/zinc/90/07/47/404900747.db2.gz IMUXKIYMBODLBE-XYVMCAHJSA-N 1 3 310.482 2.159 20 0 DEADHO CN1CC[C@H]([NH2+]Cc2ccccc2OCCO)[C@H]2CCC[C@@H]21 ZINC000353513874 404853554 /nfs/dbraw/zinc/85/35/54/404853554.db2.gz FRZMBRWVISTHDA-IKGGRYGDSA-N 1 3 304.434 2.020 20 0 DEADHO CN(C[C@H]1CCCN(C)C1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000360934454 404856312 /nfs/dbraw/zinc/85/63/12/404856312.db2.gz JVXQNUXIFUYNDP-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000361083002 404909658 /nfs/dbraw/zinc/90/96/58/404909658.db2.gz WYTJFFORILXIBA-MAUKXSAKSA-N 1 3 317.477 2.385 20 0 DEADHO [NH3+]C1(CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)CCC1 ZINC000416788588 404910334 /nfs/dbraw/zinc/91/03/34/404910334.db2.gz QQMNSHGUIKGHIG-MRXNPFEDSA-N 1 3 316.449 2.004 20 0 DEADHO CC[C@H](N)C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423903670 404921739 /nfs/dbraw/zinc/92/17/39/404921739.db2.gz NKTKGMDQEJPUOA-OIISXLGYSA-N 1 3 303.450 2.141 20 0 DEADHO CC[C@H](N)C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423903670 404921744 /nfs/dbraw/zinc/92/17/44/404921744.db2.gz NKTKGMDQEJPUOA-OIISXLGYSA-N 1 3 303.450 2.141 20 0 DEADHO COc1cccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000378309871 404924875 /nfs/dbraw/zinc/92/48/75/404924875.db2.gz BZZWYQZZGUFMQF-QFBILLFUSA-N 1 3 317.477 2.153 20 0 DEADHO COc1cccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000378309871 404924881 /nfs/dbraw/zinc/92/48/81/404924881.db2.gz BZZWYQZZGUFMQF-QFBILLFUSA-N 1 3 317.477 2.153 20 0 DEADHO C[C@@H](C(=O)NCC1CC[NH+](C2CC2)CC1)[C@@H](N)c1ccccc1 ZINC000423911616 404926475 /nfs/dbraw/zinc/92/64/75/404926475.db2.gz ITNKYWXVXPBIEF-RDTXWAMCSA-N 1 3 315.461 2.313 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000416829762 404927150 /nfs/dbraw/zinc/92/71/50/404927150.db2.gz NNEAZIIZNPCEAO-GJZGRUSLSA-N 1 3 310.486 2.020 20 0 DEADHO CCN(CC)[C@H](CNC(=O)NCC1([NH3+])CCC1)c1ccccc1 ZINC000416832490 404928227 /nfs/dbraw/zinc/92/82/27/404928227.db2.gz BSWGCTRHDSBGET-MRXNPFEDSA-N 1 3 318.465 2.250 20 0 DEADHO CCC([NH3+])(CC)CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000416844974 404931715 /nfs/dbraw/zinc/93/17/15/404931715.db2.gz QSWYDRQGWWKNAV-INIZCTEOSA-N 1 3 318.465 2.078 20 0 DEADHO CC[NH2+]CC1CCN(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)CC1 ZINC000417016641 405003331 /nfs/dbraw/zinc/00/33/31/405003331.db2.gz OFNSZTOPLCRKIX-JKSUJKDBSA-N 1 3 324.513 2.138 20 0 DEADHO N[C@H]1Cc2ccccc2N(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000424072263 404995653 /nfs/dbraw/zinc/99/56/53/404995653.db2.gz FUCSYAZGYJYVBC-VFORCBIJSA-N 1 3 313.445 2.057 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000417005591 404996177 /nfs/dbraw/zinc/99/61/77/404996177.db2.gz JBIYQTZEHGAPOJ-UONOGXRCSA-N 1 3 312.483 2.168 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)CNC3)[C@H](C)C1 ZINC000415986071 404996245 /nfs/dbraw/zinc/99/62/45/404996245.db2.gz AQDGNNOIUWQTHZ-DYVFJYSZSA-N 1 3 316.449 2.484 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)CNC3)[C@H](C)C1 ZINC000415986071 404996248 /nfs/dbraw/zinc/99/62/48/404996248.db2.gz AQDGNNOIUWQTHZ-DYVFJYSZSA-N 1 3 316.449 2.484 20 0 DEADHO C[C@@H](CNC(=O)NCC1([NH3+])CCCCC1)N1CCC[C@@H](C)C1 ZINC000417009331 404999324 /nfs/dbraw/zinc/99/93/24/404999324.db2.gz KGOZIDKQXQFGDU-CABCVRRESA-N 1 3 310.486 2.068 20 0 DEADHO CN1CCC[C@@H](CNC(=O)NC(C)(C)C[NH3+])[C@@H]1c1cccs1 ZINC000417736480 405094857 /nfs/dbraw/zinc/09/48/57/405094857.db2.gz MTIUHTLAIXDMTA-GXTWGEPZSA-N 1 3 324.494 2.168 20 0 DEADHO Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000391147268 405048601 /nfs/dbraw/zinc/04/86/01/405048601.db2.gz VAXJTJSWEFAVBH-WMZOPIPTSA-N 1 3 318.461 2.117 20 0 DEADHO Cc1cccc(C)c1OC[C@@H](O)CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000391147268 405048602 /nfs/dbraw/zinc/04/86/02/405048602.db2.gz VAXJTJSWEFAVBH-WMZOPIPTSA-N 1 3 318.461 2.117 20 0 DEADHO Cc1cccc(C)c1OC[C@@H](O)CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000391147268 405048608 /nfs/dbraw/zinc/04/86/08/405048608.db2.gz VAXJTJSWEFAVBH-WMZOPIPTSA-N 1 3 318.461 2.117 20 0 DEADHO C[C@H](NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424285558 405057816 /nfs/dbraw/zinc/05/78/16/405057816.db2.gz FUGITNUGFPYQMT-HOTGVXAUSA-N 1 3 315.461 2.328 20 0 DEADHO C[C@@H]1CC2(CN1CC(=O)N(C)CC1CCCCC1)CC[NH2+]CC2 ZINC000424298139 405060842 /nfs/dbraw/zinc/06/08/42/405060842.db2.gz TZBODPNGUZFNHX-MRXNPFEDSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H]1CC2(CN1CC(=O)N1[C@H](C)CCC[C@@H]1C)CC[NH2+]CC2 ZINC000424294450 405060979 /nfs/dbraw/zinc/06/09/79/405060979.db2.gz QKBDDNZDFMNFHD-XHSDSOJGSA-N 1 3 307.482 2.240 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)NC2(C)CC[NH2+]CC2)N(C)C)cc1 ZINC000417311931 405085751 /nfs/dbraw/zinc/08/57/51/405085751.db2.gz MPQISGURQYYBOA-MRXNPFEDSA-N 1 3 318.465 2.039 20 0 DEADHO Cc1ccc([C@H](CNC(=O)NCC[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000417312440 405086419 /nfs/dbraw/zinc/08/64/19/405086419.db2.gz NSLZIURKHBBLCM-SJORKVTESA-N 1 3 318.465 2.039 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000417328267 405087610 /nfs/dbraw/zinc/08/76/10/405087610.db2.gz MCLGOWUGYWJLBA-UGUYLWEFSA-N 1 3 310.486 2.018 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+])N(C)Cc1ccccc1 ZINC000424464698 405103164 /nfs/dbraw/zinc/10/31/64/405103164.db2.gz QKMHQUHNCJPELH-DJIMGWMZSA-N 1 3 318.465 2.076 20 0 DEADHO C[C@H]1CCN(C(=O)NCCCC[NH3+])CCN1Cc1ccccc1 ZINC000418504812 405129656 /nfs/dbraw/zinc/12/96/56/405129656.db2.gz BEQQEPYSCOJAGB-INIZCTEOSA-N 1 3 318.465 2.031 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@H](C)CCC[NH3+])c1ccco1 ZINC000418169521 405114838 /nfs/dbraw/zinc/11/48/38/405114838.db2.gz QCYPPTNSMYRQJT-MJBXVCDLSA-N 1 3 310.442 2.135 20 0 DEADHO CC[NH2+][C@H](C)CNC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000418179849 405115729 /nfs/dbraw/zinc/11/57/29/405115729.db2.gz JXRIIFHAMAUVFW-HLLBOEOZSA-N 1 3 320.481 2.283 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000418602095 405134617 /nfs/dbraw/zinc/13/46/17/405134617.db2.gz MBZGCDVDFIATGF-HOTGVXAUSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@@H](CCCC[NH3+])NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000418686086 405165783 /nfs/dbraw/zinc/16/57/83/405165783.db2.gz BUARMWZYIYKYRH-INIZCTEOSA-N 1 3 324.513 2.411 20 0 DEADHO C[C@@H]1CN(CC2CC[NH+](CC[C@@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000437701453 405215414 /nfs/dbraw/zinc/21/54/14/405215414.db2.gz OLVYZRAESSCIKD-SOLBZPMBSA-N 1 3 310.482 2.234 20 0 DEADHO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000452114777 405176149 /nfs/dbraw/zinc/17/61/49/405176149.db2.gz ALZVWPZAHMQZDC-LUKYLMHMSA-N 1 3 309.498 2.342 20 0 DEADHO C[C@@H]1C[C@H](N[C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)CC[N@@H+]1C ZINC000453343318 405290653 /nfs/dbraw/zinc/29/06/53/405290653.db2.gz DIYONYPQBFFKOA-OVYGPGRDSA-N 1 3 320.481 2.453 20 0 DEADHO C[C@@H]1C[C@H](N[C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)CC[N@H+]1C ZINC000453343318 405290654 /nfs/dbraw/zinc/29/06/54/405290654.db2.gz DIYONYPQBFFKOA-OVYGPGRDSA-N 1 3 320.481 2.453 20 0 DEADHO C[C@H]1CCCN(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000438551853 405249990 /nfs/dbraw/zinc/24/99/90/405249990.db2.gz JAZREBFMDYULMD-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1CCCN(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000438551853 405249991 /nfs/dbraw/zinc/24/99/91/405249991.db2.gz JAZREBFMDYULMD-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000438853556 405255987 /nfs/dbraw/zinc/25/59/87/405255987.db2.gz POYPXEAEDDFFBK-RDJZCZTQSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000438853556 405255989 /nfs/dbraw/zinc/25/59/89/405255989.db2.gz POYPXEAEDDFFBK-RDJZCZTQSA-N 1 3 324.513 2.279 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN2CCC(c3cc[nH]n3)CC2)cc1 ZINC000420307300 405312915 /nfs/dbraw/zinc/31/29/15/405312915.db2.gz BLDBZPZECPKHJM-MRXNPFEDSA-N 1 3 314.433 2.340 20 0 DEADHO CN(CC[C@H]1CC[NH2+]C1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000420311022 405314677 /nfs/dbraw/zinc/31/46/77/405314677.db2.gz VRYAABQUUXKTMI-WBVHZDCISA-N 1 3 301.434 2.113 20 0 DEADHO COc1ccc([C@@H](C[NH3+])CN2CCC(c3c[nH]cn3)CC2)cc1 ZINC000420328285 405321458 /nfs/dbraw/zinc/32/14/58/405321458.db2.gz ZWBGZERYVSZAID-INIZCTEOSA-N 1 3 314.433 2.340 20 0 DEADHO COc1ccc([C@@H](CN)C[NH+]2CCC(c3c[nH]cn3)CC2)cc1 ZINC000420328285 405321459 /nfs/dbraw/zinc/32/14/59/405321459.db2.gz ZWBGZERYVSZAID-INIZCTEOSA-N 1 3 314.433 2.340 20 0 DEADHO COc1cccc(CCC[N@@H+]2C[C@@H](CN)C3(C2)CCOCC3)c1 ZINC000420329848 405322053 /nfs/dbraw/zinc/32/20/53/405322053.db2.gz PDOLWGXKHXAMPP-QGZVFWFLSA-N 1 3 318.461 2.315 20 0 DEADHO COc1cccc(CCC[N@H+]2C[C@@H](CN)C3(C2)CCOCC3)c1 ZINC000420329848 405322055 /nfs/dbraw/zinc/32/20/55/405322055.db2.gz PDOLWGXKHXAMPP-QGZVFWFLSA-N 1 3 318.461 2.315 20 0 DEADHO CN(C)C(=O)[C@@H](c1ccccc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420334995 405323688 /nfs/dbraw/zinc/32/36/88/405323688.db2.gz HAMSAZDKBOHTJD-QZTJIDSGSA-N 1 3 315.461 2.280 20 0 DEADHO Fc1ccc([C@H](CC(F)(F)F)NCCN2CC[NH2+]CC2)cc1 ZINC000420374568 405336947 /nfs/dbraw/zinc/33/69/47/405336947.db2.gz OCYSNAOGADNABO-AWEZNQCLSA-N 1 3 319.346 2.314 20 0 DEADHO [NH3+]C[C@H](NCCC(=O)N1CCc2ccccc21)C1CCCCC1 ZINC000420377727 405337572 /nfs/dbraw/zinc/33/75/72/405337572.db2.gz WKIKJSZEUAIRGR-KRWDZBQOSA-N 1 3 315.461 2.463 20 0 DEADHO [NH3+]C[C@@H](NCCOCC(F)(F)C(F)F)C1CCCCC1 ZINC000420379689 405338166 /nfs/dbraw/zinc/33/81/66/405338166.db2.gz XYKLJWGMNBBUAQ-LLVKDONJSA-N 1 3 300.340 2.401 20 0 DEADHO CCC[N@@H+]1CC[C@H](CNC(=O)NCCN2CCCC(C)(C)C2)C1 ZINC000445241206 405349608 /nfs/dbraw/zinc/34/96/08/405349608.db2.gz HCTRWVCNFYBGGQ-MRXNPFEDSA-N 1 3 324.513 2.140 20 0 DEADHO CCC[N@H+]1CC[C@H](CNC(=O)NCCN2CCCC(C)(C)C2)C1 ZINC000445241206 405349610 /nfs/dbraw/zinc/34/96/10/405349610.db2.gz HCTRWVCNFYBGGQ-MRXNPFEDSA-N 1 3 324.513 2.140 20 0 DEADHO CN(C)C1(CNC(=O)NCCC[NH2+]C2CCCCC2)CCC1 ZINC000446619556 405387092 /nfs/dbraw/zinc/38/70/92/405387092.db2.gz HAWZSOQUQGEBJQ-UHFFFAOYSA-N 1 3 310.486 2.082 20 0 DEADHO CN(C)CCOc1cccc(NC(=O)C[C@H]2CCC[NH2+]CC2)c1 ZINC000427266095 405397907 /nfs/dbraw/zinc/39/79/07/405397907.db2.gz GXSCNOQOTCNIPI-HNNXBMFYSA-N 1 3 319.449 2.345 20 0 DEADHO C[C@H]1CN(C(=O)C2C[NH+](C3CCCCC3)C2)CCN(C2CC2)C1 ZINC000457829872 405473758 /nfs/dbraw/zinc/47/37/58/405473758.db2.gz ZUAJUEBMFCAKQZ-OAHLLOKOSA-N 1 3 319.493 2.194 20 0 DEADHO C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1CCN1C1CCCC1)CC2 ZINC000635763237 405484624 /nfs/dbraw/zinc/48/46/24/405484624.db2.gz GHBLODSKLNLJLY-INIZCTEOSA-N 1 3 305.466 2.090 20 0 DEADHO C[N@H+]1CCCC12CCN(C(=O)[C@@H]1CCN1C1CCCC1)CC2 ZINC000635763237 405484628 /nfs/dbraw/zinc/48/46/28/405484628.db2.gz GHBLODSKLNLJLY-INIZCTEOSA-N 1 3 305.466 2.090 20 0 DEADHO CC[C@H]1CCCCN1C(=O)[C@@H](C)N1CCC2(CC[NH2+]C2)CC1 ZINC000431014408 405561231 /nfs/dbraw/zinc/56/12/31/405561231.db2.gz NJDPAKMPFWKQEX-CVEARBPZSA-N 1 3 307.482 2.242 20 0 DEADHO CC1(C)CCCN(CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000635862174 405563501 /nfs/dbraw/zinc/56/35/01/405563501.db2.gz NABPBEUZDOTNJA-UHFFFAOYSA-N 1 3 307.482 2.101 20 0 DEADHO CN1CCC[C@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)[C@H]1c1cccs1 ZINC000430807934 405510506 /nfs/dbraw/zinc/51/05/06/405510506.db2.gz VUQAZSTVMIQVTP-KMFMINBZSA-N 1 3 321.490 2.247 20 0 DEADHO CC1CCN(CCC[NH2+]C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000568594168 292351218 /nfs/dbraw/zinc/35/12/18/292351218.db2.gz VNXKAZXIRXJLCO-GOSISDBHSA-N 1 3 308.441 2.441 20 0 DEADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H](CN)c1ccccc1 ZINC000430894114 405522448 /nfs/dbraw/zinc/52/24/48/405522448.db2.gz LOKLMXRPVUQCQC-UXLLHSPISA-N 1 3 303.450 2.108 20 0 DEADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@@H](CN)c1ccccc1 ZINC000430894114 405522457 /nfs/dbraw/zinc/52/24/57/405522457.db2.gz LOKLMXRPVUQCQC-UXLLHSPISA-N 1 3 303.450 2.108 20 0 DEADHO [NH3+]Cc1cn([C@H]2CCCN(Cc3cc4ccccc4o3)C2)nn1 ZINC000556963547 405564970 /nfs/dbraw/zinc/56/49/70/405564970.db2.gz OHVPEYQUSDTHMI-HNNXBMFYSA-N 1 3 311.389 2.320 20 0 DEADHO NCc1cn([C@H]2CCC[N@H+](Cc3cc4ccccc4o3)C2)nn1 ZINC000556963547 405564977 /nfs/dbraw/zinc/56/49/77/405564977.db2.gz OHVPEYQUSDTHMI-HNNXBMFYSA-N 1 3 311.389 2.320 20 0 DEADHO NCc1cn([C@H]2CCC[N@@H+](Cc3cc4ccccc4o3)C2)nn1 ZINC000556963547 405564983 /nfs/dbraw/zinc/56/49/83/405564983.db2.gz OHVPEYQUSDTHMI-HNNXBMFYSA-N 1 3 311.389 2.320 20 0 DEADHO C[C@@H]([NH3+])C1CCN([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000430928128 405530770 /nfs/dbraw/zinc/53/07/70/405530770.db2.gz SNXGDNSMHHVVGQ-CXAGYDPISA-N 1 3 301.434 2.066 20 0 DEADHO C[C@@H](CC(=O)Nc1ccc2c(c1)OCCNC2)[C@H]1CCC[NH2+]C1 ZINC000638667878 405604678 /nfs/dbraw/zinc/60/46/78/405604678.db2.gz FGMCEUZEMYQSNE-KBPBESRZSA-N 1 3 317.433 2.133 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000458817630 405607093 /nfs/dbraw/zinc/60/70/93/405607093.db2.gz TVWXSFQLJZTBDZ-AEFFLSMTSA-N 1 3 324.513 2.234 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000458817630 405607098 /nfs/dbraw/zinc/60/70/98/405607098.db2.gz TVWXSFQLJZTBDZ-AEFFLSMTSA-N 1 3 324.513 2.234 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000458817637 405607847 /nfs/dbraw/zinc/60/78/47/405607847.db2.gz TVWXSFQLJZTBDZ-FUHWJXTLSA-N 1 3 324.513 2.234 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000458817637 405607857 /nfs/dbraw/zinc/60/78/57/405607857.db2.gz TVWXSFQLJZTBDZ-FUHWJXTLSA-N 1 3 324.513 2.234 20 0 DEADHO CO[C@H](C[NH2+]Cc1ccccc1CN1CCC(O)CC1)C1CC1 ZINC000638721300 405634481 /nfs/dbraw/zinc/63/44/81/405634481.db2.gz YSIQDUADBJYOIE-LJQANCHMSA-N 1 3 318.461 2.158 20 0 DEADHO C[C@@H](CCC[NH3+])NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000449574193 405622430 /nfs/dbraw/zinc/62/24/30/405622430.db2.gz VXGKZKAPFUJEQR-HOCLYGCPSA-N 1 3 321.440 2.281 20 0 DEADHO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000449520785 405595733 /nfs/dbraw/zinc/59/57/33/405595733.db2.gz QEQISTWJXHJKGA-BXUZGUMPSA-N 1 3 305.397 2.318 20 0 DEADHO C[C@@H]([NH3+])C(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000638663997 405603002 /nfs/dbraw/zinc/60/30/02/405603002.db2.gz KRPYAHWQEODQJF-PELKAZGASA-N 1 3 304.221 2.060 20 0 DEADHO O=C(NCCCCC[NH+]1CCCC1)[C@@H]1CCN1C1CCCC1 ZINC000635967304 405641819 /nfs/dbraw/zinc/64/18/19/405641819.db2.gz YQWNYHPFSIVQGX-KRWDZBQOSA-N 1 3 307.482 2.386 20 0 DEADHO CO[C@H](CNC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)CC(C)C ZINC000638747114 405648315 /nfs/dbraw/zinc/64/83/15/405648315.db2.gz AONSIQARFWGFRY-RCCFBDPRSA-N 1 3 312.498 2.405 20 0 DEADHO CC[C@@H]([NH2+]Cc1ccccc1N1CCN(CC)CC1)[C@@H](O)CC ZINC000449642250 405653297 /nfs/dbraw/zinc/65/32/97/405653297.db2.gz WRWHQALPEGFPOT-MJGOQNOKSA-N 1 3 319.493 2.468 20 0 DEADHO C[NH+](C)[C@H]1CCC[C@H](NC[C@H](O)COCc2ccccc2)C1 ZINC000580710282 405670890 /nfs/dbraw/zinc/67/08/90/405670890.db2.gz YKNXTRCAERHQDH-BZSNNMDCSA-N 1 3 306.450 2.027 20 0 DEADHO CN(C)[C@H]1CCC[C@H]([NH2+]C[C@H](O)COCc2ccccc2)C1 ZINC000580710282 405670894 /nfs/dbraw/zinc/67/08/94/405670894.db2.gz YKNXTRCAERHQDH-BZSNNMDCSA-N 1 3 306.450 2.027 20 0 DEADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NC[C@@H]1CCCCO1 ZINC000422708470 405675348 /nfs/dbraw/zinc/67/53/48/405675348.db2.gz XSCHQADLUVPOAT-QILLFSRXSA-N 1 3 302.418 2.401 20 0 DEADHO C/C=C/C[C@H](CO)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423044770 405697221 /nfs/dbraw/zinc/69/72/21/405697221.db2.gz AXCLHZQIRNUUEM-KHFHEFGLSA-N 1 3 302.418 2.159 20 0 DEADHO C[C@H](NCCCN1CC[NH2+]CC1)c1cc(F)c(F)c(F)c1 ZINC000423178547 405711743 /nfs/dbraw/zinc/71/17/43/405711743.db2.gz KZHJAAOMXDJZEQ-NSHDSACASA-N 1 3 301.356 2.050 20 0 DEADHO Fc1cccc2c1SCC[C@H]2NCCCN1CC[NH2+]CC1 ZINC000423174591 405711774 /nfs/dbraw/zinc/71/17/74/405711774.db2.gz BFQNNXZEKMCPRJ-OAHLLOKOSA-N 1 3 309.454 2.248 20 0 DEADHO COc1cccc2cc([C@H](C)NCCCN3CC[NH2+]CC3)oc21 ZINC000423179344 405712355 /nfs/dbraw/zinc/71/23/55/405712355.db2.gz MCAZTTUFWHKOGW-AWEZNQCLSA-N 1 3 317.433 2.387 20 0 DEADHO CC[NH+](CC)CCSCC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000457125262 405712370 /nfs/dbraw/zinc/71/23/70/405712370.db2.gz QJPYJYLOEOLPMI-OAHLLOKOSA-N 1 3 315.527 2.003 20 0 DEADHO COc1cc(F)cc(C[C@H](C)[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)c1 ZINC000423159156 405705475 /nfs/dbraw/zinc/70/54/75/405705475.db2.gz FKCHCMNSKRKCEA-IYVPYFHTSA-N 1 3 310.413 2.107 20 0 DEADHO COc1cc(F)cc(C[C@H](C)N[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])c1 ZINC000423159156 405705481 /nfs/dbraw/zinc/70/54/81/405705481.db2.gz FKCHCMNSKRKCEA-IYVPYFHTSA-N 1 3 310.413 2.107 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2C2CCCCC2)CC[N@@H+]1C ZINC000633673430 405781474 /nfs/dbraw/zinc/78/14/74/405781474.db2.gz FDQQZNKTZVFVEE-YESZJQIVSA-N 1 3 307.482 2.240 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2C2CCCCC2)CC[N@H+]1C ZINC000633673430 405781483 /nfs/dbraw/zinc/78/14/83/405781483.db2.gz FDQQZNKTZVFVEE-YESZJQIVSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccs1 ZINC000423389967 405786381 /nfs/dbraw/zinc/78/63/81/405786381.db2.gz NWJSAEPOPKGTRS-CMPLNLGQSA-N 1 3 307.385 2.235 20 0 DEADHO C[C@@H]([NH2+][C@H]1CCN[C@H](C)C1)c1cccc(N2CCOCC2)c1 ZINC000423400151 405790380 /nfs/dbraw/zinc/79/03/80/405790380.db2.gz WLEYPMRKKFZBSP-INMHGKMJSA-N 1 3 303.450 2.314 20 0 DEADHO Cc1ccccc1[C@@H](C)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423397286 405790728 /nfs/dbraw/zinc/79/07/28/405790728.db2.gz UPGJZHGFBAJOBH-HIFRSBDPSA-N 1 3 315.383 2.482 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CC1(C[NH3+])CC1 ZINC000423420461 405799814 /nfs/dbraw/zinc/79/98/14/405799814.db2.gz XEGLSAWHDVKRBF-NVXWUHKLSA-N 1 3 315.461 2.142 20 0 DEADHO C[N@H+](CCCCNC(=O)N1CCN(C2CCCC2)CC1)C1CC1 ZINC000459210742 405803255 /nfs/dbraw/zinc/80/32/55/405803255.db2.gz YMIWWXOEDREYBH-UHFFFAOYSA-N 1 3 322.497 2.131 20 0 DEADHO C[N@@H+](CCCCNC(=O)N1CCN(C2CCCC2)CC1)C1CC1 ZINC000459210742 405803267 /nfs/dbraw/zinc/80/32/67/405803267.db2.gz YMIWWXOEDREYBH-UHFFFAOYSA-N 1 3 322.497 2.131 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])C2)cc1 ZINC000639001976 405812451 /nfs/dbraw/zinc/81/24/51/405812451.db2.gz SUDXONTZWKKUAE-NJAFHUGGSA-N 1 3 317.477 2.305 20 0 DEADHO CC[NH2+]CCCNC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000584042905 405813073 /nfs/dbraw/zinc/81/30/73/405813073.db2.gz GJOYEPGSHGXROX-WBVHZDCISA-N 1 3 320.481 2.285 20 0 DEADHO CCN1C[C@@H](C)[C@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000423478560 405819449 /nfs/dbraw/zinc/81/94/49/405819449.db2.gz TXJMPCUHDTVJFP-IWKCEXAMSA-N 1 3 319.468 2.449 20 0 DEADHO c1ccc([C@H](C[C@H]2CCOC2)[NH2+]C[C@@H]2CNCCCO2)cc1 ZINC000423485767 405823401 /nfs/dbraw/zinc/82/34/01/405823401.db2.gz BFQGYBFUMGXBOS-NJAFHUGGSA-N 1 3 304.434 2.122 20 0 DEADHO C[NH+](C)CC1(C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)CC1 ZINC000636127865 405763393 /nfs/dbraw/zinc/76/33/93/405763393.db2.gz HGQKQCFMFPZCLC-SFHVURJKSA-N 1 3 315.461 2.109 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H](N)c1ccccc1 ZINC000423348429 405770483 /nfs/dbraw/zinc/77/04/83/405770483.db2.gz TVJSPCOTPBKWLB-IXDOHACOSA-N 1 3 315.461 2.456 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H](N)c1ccccc1 ZINC000423348429 405770489 /nfs/dbraw/zinc/77/04/89/405770489.db2.gz TVJSPCOTPBKWLB-IXDOHACOSA-N 1 3 315.461 2.456 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H]2C[C@H](C)CC[NH2+]2)N(C)C)cc1 ZINC000423348790 405770598 /nfs/dbraw/zinc/77/05/98/405770598.db2.gz UZXKAGNKPFRFRA-OIISXLGYSA-N 1 3 303.450 2.102 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423663035 405898669 /nfs/dbraw/zinc/89/86/69/405898669.db2.gz NOJFJGXIPQYTNJ-SHTZXODSSA-N 1 3 303.450 2.243 20 0 DEADHO CC(C)[C@@H](C[NH3+])C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000433139168 405876701 /nfs/dbraw/zinc/87/67/01/405876701.db2.gz WAOWCOOVHFSOPX-KGLIPLIRSA-N 1 3 309.479 2.232 20 0 DEADHO Cc1nc2cc(NC(=O)CCCN3CCC([NH3+])CC3)ccc2[nH]1 ZINC000433137863 405877050 /nfs/dbraw/zinc/87/70/50/405877050.db2.gz VKBLGQAMBGXBAZ-UHFFFAOYSA-N 1 3 315.421 2.013 20 0 DEADHO Cc1nc2ccc(NC(=O)CCCN3CCC([NH3+])CC3)cc2[nH]1 ZINC000433137863 405877052 /nfs/dbraw/zinc/87/70/52/405877052.db2.gz VKBLGQAMBGXBAZ-UHFFFAOYSA-N 1 3 315.421 2.013 20 0 DEADHO CN1CC=C(C[NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000495367336 405884369 /nfs/dbraw/zinc/88/43/69/405884369.db2.gz OWQKSQZCUOMFMJ-CABCVRRESA-N 1 3 309.454 2.284 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459291277 405837997 /nfs/dbraw/zinc/83/79/97/405837997.db2.gz HJZSEDZTAXKVLW-QGZVFWFLSA-N 1 3 324.513 2.236 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459291277 405838000 /nfs/dbraw/zinc/83/80/00/405838000.db2.gz HJZSEDZTAXKVLW-QGZVFWFLSA-N 1 3 324.513 2.236 20 0 DEADHO C[C@@H]1C[C@H](NC[C@H](Cc2ccccc2Cl)C(N)=O)CC[N@@H+]1C ZINC000639042119 405838069 /nfs/dbraw/zinc/83/80/69/405838069.db2.gz RYXZNQXNNPGRRG-VHDGCEQUSA-N 1 3 323.868 2.056 20 0 DEADHO C[C@@H]1C[C@H](NC[C@H](Cc2ccccc2Cl)C(N)=O)CC[N@H+]1C ZINC000639042119 405838073 /nfs/dbraw/zinc/83/80/73/405838073.db2.gz RYXZNQXNNPGRRG-VHDGCEQUSA-N 1 3 323.868 2.056 20 0 DEADHO C[C@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1cn[nH]c1 ZINC000423547483 405851431 /nfs/dbraw/zinc/85/14/31/405851431.db2.gz DIYZHPQKILKSMR-HNNXBMFYSA-N 1 3 313.449 2.054 20 0 DEADHO O=C(CCC1CC[NH2+]CC1)N1CCN(C2CCCCC2)CC1 ZINC000423717243 405926406 /nfs/dbraw/zinc/92/64/06/405926406.db2.gz ZKAVLURCKDBGPE-UHFFFAOYSA-N 1 3 307.482 2.243 20 0 DEADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000423736921 405935680 /nfs/dbraw/zinc/93/56/80/405935680.db2.gz CFYRVLJWCWRSKR-INIZCTEOSA-N 1 3 323.868 2.372 20 0 DEADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H](N)C1CCC1 ZINC000423746327 405942567 /nfs/dbraw/zinc/94/25/67/405942567.db2.gz QWFBRRIEYOUCQT-QGZVFWFLSA-N 1 3 303.450 2.224 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(CO)cc1 ZINC000639170957 405943648 /nfs/dbraw/zinc/94/36/48/405943648.db2.gz MFNCLJIYICYPSG-IBGZPJMESA-N 1 3 319.493 2.027 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(CO)cc1 ZINC000639170957 405943652 /nfs/dbraw/zinc/94/36/52/405943652.db2.gz MFNCLJIYICYPSG-IBGZPJMESA-N 1 3 319.493 2.027 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000423772243 405955130 /nfs/dbraw/zinc/95/51/30/405955130.db2.gz KSIBCFQYWAUNJN-OWCLPIDISA-N 1 3 323.868 2.447 20 0 DEADHO C[C@H]1CCCN(CCNC(=O)NC(C)(C)CCC[NH+](C)C)C1 ZINC000457698640 405957067 /nfs/dbraw/zinc/95/70/67/405957067.db2.gz VTMMKPWMNUYRPZ-HNNXBMFYSA-N 1 3 312.502 2.138 20 0 DEADHO C[NH+](C)[C@H](CC(=O)N[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000433298745 405914600 /nfs/dbraw/zinc/91/46/00/405914600.db2.gz ADLUJAGQAUWOLT-DOTOQJQBSA-N 1 3 301.434 2.032 20 0 DEADHO C[C@H](CC(=O)N1CCN(C2CCCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000423707744 405921829 /nfs/dbraw/zinc/92/18/29/405921829.db2.gz FDMODDGEBBKGLI-SJORKVTESA-N 1 3 321.509 2.489 20 0 DEADHO COc1cccc([C@@H](C)[NH2+]CCCCN2CCN(C)CC2)c1 ZINC000531940092 406025323 /nfs/dbraw/zinc/02/53/23/406025323.db2.gz ZQZKMYALELZHOX-MRXNPFEDSA-N 1 3 305.466 2.373 20 0 DEADHO CC(C)(C)C1CC([NH2+]CC(=O)NCCN2CCCCCC2)C1 ZINC000459590573 405971161 /nfs/dbraw/zinc/97/11/61/405971161.db2.gz NNUFYOQCMMJJJX-UHFFFAOYSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCN(C2CCOCC2)C[C@H]1C ZINC000450884725 405986815 /nfs/dbraw/zinc/98/68/15/405986815.db2.gz SSVDGGYKXHHEMN-IEBWSBKVSA-N 1 3 323.525 2.434 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1CN1CCN(C2CCOCC2)C[C@H]1C ZINC000450884725 405986817 /nfs/dbraw/zinc/98/68/17/405986817.db2.gz SSVDGGYKXHHEMN-IEBWSBKVSA-N 1 3 323.525 2.434 20 0 DEADHO CC[N@@H+]1CC[C@H](NC[C@H](CO)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000459759710 406035362 /nfs/dbraw/zinc/03/53/62/406035362.db2.gz TXAFEEOGMMCEBH-LESCRADOSA-N 1 3 306.450 2.091 20 0 DEADHO CC[N@H+]1CC[C@H](NC[C@H](CO)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000459759710 406035366 /nfs/dbraw/zinc/03/53/66/406035366.db2.gz TXAFEEOGMMCEBH-LESCRADOSA-N 1 3 306.450 2.091 20 0 DEADHO C[C@@H](NC(=O)NC[C@H]1CCCCN1C1CC1)C(C)(C)C[NH+](C)C ZINC000433906435 405996398 /nfs/dbraw/zinc/99/63/98/405996398.db2.gz FSSISBZKAFNBLM-GDBMZVCRSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@H](NC(=O)NC[C@H]1CCCCN1C1CC1)C(C)(C)C[NH+](C)C ZINC000433906436 405996719 /nfs/dbraw/zinc/99/67/19/405996719.db2.gz FSSISBZKAFNBLM-GOEBONIOSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@H](CC(=O)NCCc1ccccc1)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000532530988 406083728 /nfs/dbraw/zinc/08/37/28/406083728.db2.gz AZYVNWGDSRZWNY-IAGOWNOFSA-N 1 3 317.477 2.055 20 0 DEADHO C[C@H](CC(=O)NCCc1ccccc1)NCC[N@H+]1CC[C@@H](C)C1 ZINC000532530988 406083729 /nfs/dbraw/zinc/08/37/29/406083729.db2.gz AZYVNWGDSRZWNY-IAGOWNOFSA-N 1 3 317.477 2.055 20 0 DEADHO CC(C)(O)CN1CCC([NH2+]C[C@H]2CCN2C2CCCCC2)CC1 ZINC000639346619 406058661 /nfs/dbraw/zinc/05/86/61/406058661.db2.gz UDPKKHQTNRHTMW-GOSISDBHSA-N 1 3 323.525 2.218 20 0 DEADHO CO[C@]1(C[NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CCOC1 ZINC000639360523 406064631 /nfs/dbraw/zinc/06/46/31/406064631.db2.gz XASFMUUNBLWNLT-UHOSZYNNSA-N 1 3 318.461 2.150 20 0 DEADHO CO[C@]1(CNC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CCOC1 ZINC000639360523 406064633 /nfs/dbraw/zinc/06/46/33/406064633.db2.gz XASFMUUNBLWNLT-UHOSZYNNSA-N 1 3 318.461 2.150 20 0 DEADHO CO[C@]1(CNC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCOC1 ZINC000639360523 406064636 /nfs/dbraw/zinc/06/46/36/406064636.db2.gz XASFMUUNBLWNLT-UHOSZYNNSA-N 1 3 318.461 2.150 20 0 DEADHO COc1ccccc1C1(CNC[C@H](O)C[N@H+](C)C2CC2)CCC1 ZINC000567710886 406124259 /nfs/dbraw/zinc/12/42/59/406124259.db2.gz UWADODUGLZOBCX-INIZCTEOSA-N 1 3 318.461 2.162 20 0 DEADHO COc1ccccc1C1(CNC[C@H](O)C[N@@H+](C)C2CC2)CCC1 ZINC000567710886 406124261 /nfs/dbraw/zinc/12/42/61/406124261.db2.gz UWADODUGLZOBCX-INIZCTEOSA-N 1 3 318.461 2.162 20 0 DEADHO C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000484686518 406181449 /nfs/dbraw/zinc/18/14/49/406181449.db2.gz CASDKNINGNCSAD-ZOBUZTSGSA-N 1 3 318.465 2.071 20 0 DEADHO C[C@H](NC(=O)CC1CCN(C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000487051254 406200547 /nfs/dbraw/zinc/20/05/47/406200547.db2.gz ZOLGEPMTSCKTGD-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](NC(=O)CC1CCN(C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000487051254 406200551 /nfs/dbraw/zinc/20/05/51/406200551.db2.gz ZOLGEPMTSCKTGD-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN(CCN(C)C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000568190935 406207925 /nfs/dbraw/zinc/20/79/25/406207925.db2.gz UDFRAIOXWHUFHB-UHFFFAOYSA-N 1 3 305.466 2.205 20 0 DEADHO O[C@]1(CN2CC[C@@]3(CC3(F)F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639723571 406221765 /nfs/dbraw/zinc/22/17/65/406221765.db2.gz NCRBZWXUJVPUCM-IAGOWNOFSA-N 1 3 322.399 2.355 20 0 DEADHO O[C@]1(CN2CC[C@@]3(CC3(F)F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639723571 406221768 /nfs/dbraw/zinc/22/17/68/406221768.db2.gz NCRBZWXUJVPUCM-IAGOWNOFSA-N 1 3 322.399 2.355 20 0 DEADHO CN1CCC(N2CCC([NH2+][C@@H]3CCOC(C)(C)C3)CC2)CC1 ZINC000634678670 406222329 /nfs/dbraw/zinc/22/23/29/406222329.db2.gz APWOHAQKWKGHOG-MRXNPFEDSA-N 1 3 309.498 2.092 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)C1 ZINC000569239536 406225791 /nfs/dbraw/zinc/22/57/91/406225791.db2.gz YRGORHIBUKAZNB-KZNAEPCWSA-N 1 3 315.461 2.080 20 0 DEADHO CC[C@@H]1CN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCCO1 ZINC000639623933 406175258 /nfs/dbraw/zinc/17/52/58/406175258.db2.gz VQRIDCAFXSHCOY-RTBURBONSA-N 1 3 318.461 2.124 20 0 DEADHO CC[C@@H]1CN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCCO1 ZINC000639623933 406175261 /nfs/dbraw/zinc/17/52/61/406175261.db2.gz VQRIDCAFXSHCOY-RTBURBONSA-N 1 3 318.461 2.124 20 0 DEADHO C[NH+]1CCC2(CCN(C[C@@H]3COc4ccccc4O3)C2)CC1 ZINC000639756562 406236930 /nfs/dbraw/zinc/23/69/30/406236930.db2.gz XCIXZCHIZOGTQA-OAHLLOKOSA-N 1 3 302.418 2.244 20 0 DEADHO C[C@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639757043 406237979 /nfs/dbraw/zinc/23/79/79/406237979.db2.gz CLMZKRUZYLAQTI-IRXDYDNUSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H](CCN1CCC[C@](O)(C[NH+](C)C)C1)OCc1ccccc1 ZINC000639765540 406242845 /nfs/dbraw/zinc/24/28/45/406242845.db2.gz IYSITLWKGMPRGY-HKUYNNGSSA-N 1 3 320.477 2.370 20 0 DEADHO O[C@@H](C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)CN1CCCC1 ZINC000634723615 406247668 /nfs/dbraw/zinc/24/76/68/406247668.db2.gz YYJLWYCYYVAOOS-BBWFWOEESA-N 1 3 324.852 2.216 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCC[NH2+]C1CC1 ZINC000637329253 406261928 /nfs/dbraw/zinc/26/19/28/406261928.db2.gz IOSRHSBVTDQAOX-UHFFFAOYSA-N 1 3 318.465 2.032 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000632845866 406287640 /nfs/dbraw/zinc/28/76/40/406287640.db2.gz UYQIJPGMTFTQAZ-INIZCTEOSA-N 1 3 322.497 2.131 20 0 DEADHO CC(C)[C@@H]1C[C@H](NC[C@@H](O)C[NH+]2CCC(C)CC2)CS1 ZINC000488422982 406318362 /nfs/dbraw/zinc/31/83/62/406318362.db2.gz AMZJTIUUBBXCAV-XHSDSOJGSA-N 1 3 300.512 2.199 20 0 DEADHO C[NH+]1CCC(C)(CNC(=O)NC[C@@H]2CCN2C2CCCC2)CC1 ZINC000637473426 406321240 /nfs/dbraw/zinc/32/12/40/406321240.db2.gz DMQVYWXOFHUXBF-INIZCTEOSA-N 1 3 322.497 2.034 20 0 DEADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000488592548 406334506 /nfs/dbraw/zinc/33/45/06/406334506.db2.gz HUDVHGXBGBJEDP-LUKYLMHMSA-N 1 3 324.513 2.088 20 0 DEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000488592548 406334507 /nfs/dbraw/zinc/33/45/07/406334507.db2.gz HUDVHGXBGBJEDP-LUKYLMHMSA-N 1 3 324.513 2.088 20 0 DEADHO COc1ccc([C@@H](CO)CNC2CC[NH+](CC3CC3)CC2)cc1 ZINC000570175236 406357584 /nfs/dbraw/zinc/35/75/84/406357584.db2.gz OULDUDDMDXSCDO-QGZVFWFLSA-N 1 3 318.461 2.235 20 0 DEADHO c1cnc2c(c1)CCC[C@@H]2Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635007202 406397827 /nfs/dbraw/zinc/39/78/27/406397827.db2.gz FIWAZKCOWIGVLZ-INIZCTEOSA-N 1 3 309.417 2.376 20 0 DEADHO C[C@H](CN[C@@H]1CCCCC[C@@H]1[NH3+])c1ccc(S(C)(=O)=O)cc1 ZINC000635012486 406400279 /nfs/dbraw/zinc/40/02/79/406400279.db2.gz MPOKHZHHHALIRN-XOKHGSTOSA-N 1 3 324.490 2.443 20 0 DEADHO c1nc2cc(CNC3CC[NH+](C[C@@H]4CCOC4)CC3)ccc2[nH]1 ZINC000522962500 406415607 /nfs/dbraw/zinc/41/56/07/406415607.db2.gz HHRGVWZPRPCCNN-HNNXBMFYSA-N 1 3 314.433 2.153 20 0 DEADHO c1nc2ccc(CNC3CC[NH+](C[C@@H]4CCOC4)CC3)cc2[nH]1 ZINC000522962500 406415611 /nfs/dbraw/zinc/41/56/11/406415611.db2.gz HHRGVWZPRPCCNN-HNNXBMFYSA-N 1 3 314.433 2.153 20 0 DEADHO CC(C)[NH2+]CCCNC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000570697595 406428526 /nfs/dbraw/zinc/42/85/26/406428526.db2.gz UEYQRGDLUYOWHQ-INIZCTEOSA-N 1 3 310.486 2.034 20 0 DEADHO C[NH+](C)[C@H]1CCC[C@@H](NC[C@@H](O)COCc2ccccc2)C1 ZINC000570274219 406369888 /nfs/dbraw/zinc/36/98/88/406369888.db2.gz YKNXTRCAERHQDH-FGTMMUONSA-N 1 3 306.450 2.027 20 0 DEADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C[C@@H](O)COCc2ccccc2)C1 ZINC000570274219 406369891 /nfs/dbraw/zinc/36/98/91/406369891.db2.gz YKNXTRCAERHQDH-FGTMMUONSA-N 1 3 306.450 2.027 20 0 DEADHO C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000525223963 406476934 /nfs/dbraw/zinc/47/69/34/406476934.db2.gz YLLSFXNUPOADNK-SJLPKXTDSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000525223963 406476940 /nfs/dbraw/zinc/47/69/40/406476940.db2.gz YLLSFXNUPOADNK-SJLPKXTDSA-N 1 3 315.461 2.061 20 0 DEADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000635267900 406480895 /nfs/dbraw/zinc/48/08/95/406480895.db2.gz UVMWJEXTRJFVEV-QZTJIDSGSA-N 1 3 315.461 2.109 20 0 DEADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000635267900 406480897 /nfs/dbraw/zinc/48/08/97/406480897.db2.gz UVMWJEXTRJFVEV-QZTJIDSGSA-N 1 3 315.461 2.109 20 0 DEADHO CC(C)CC[NH+]1CCC(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC000571175276 406488033 /nfs/dbraw/zinc/48/80/33/406488033.db2.gz CFPBRMBXIFCMQG-INIZCTEOSA-N 1 3 309.498 2.203 20 0 DEADHO CC[C@H](CNC(=O)CC[NH2+]C1CC1)N1CCc2ccccc2C1 ZINC000570816210 406442978 /nfs/dbraw/zinc/44/29/78/406442978.db2.gz MHCITNYGPUECPD-GOSISDBHSA-N 1 3 315.461 2.082 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCCC1CCCC1 ZINC000524904794 406464388 /nfs/dbraw/zinc/46/43/88/406464388.db2.gz DUXBFVPDHPJPIW-UHFFFAOYSA-N 1 3 312.502 2.092 20 0 DEADHO CCOC[C@@H](O)CNCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000571754873 406560425 /nfs/dbraw/zinc/56/04/25/406560425.db2.gz PLXNAVVDJASJMU-IBGZPJMESA-N 1 3 320.477 2.406 20 0 DEADHO C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)N1CCCC1 ZINC000549037127 406572145 /nfs/dbraw/zinc/57/21/45/406572145.db2.gz GGBWVJIKQVYFIU-INIZCTEOSA-N 1 3 315.461 2.497 20 0 DEADHO C[C@H]1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000638132213 406586307 /nfs/dbraw/zinc/58/63/07/406586307.db2.gz UYXVPPBDCZMNJC-MAUKXSAKSA-N 1 3 313.445 2.157 20 0 DEADHO CC(C)C1CCC(N2CCN(C(=O)CCC3C[NH2+]C3)CC2)CC1 ZINC000638133097 406587799 /nfs/dbraw/zinc/58/77/99/406587799.db2.gz ZBKIQPRRIOFRNH-UHFFFAOYSA-N 1 3 321.509 2.345 20 0 DEADHO CN(C)CCN1CCC([NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000527637099 406699423 /nfs/dbraw/zinc/69/94/23/406699423.db2.gz WCTXMAPBZXJUAD-UHFFFAOYSA-N 1 3 300.450 2.284 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H]2[NH2+]CC2(C)C)N2CCCC2)cc1 ZINC000645801909 406638713 /nfs/dbraw/zinc/63/87/13/406638713.db2.gz QJAULSRCBHHDBJ-DLBZAZTESA-N 1 3 315.461 2.246 20 0 DEADHO CC[C@H]1CCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000553189979 406742084 /nfs/dbraw/zinc/74/20/84/406742084.db2.gz SVLGWOWPVWVRAE-INIZCTEOSA-N 1 3 321.509 2.441 20 0 DEADHO C[NH+]1CCC([C@H]2CCN(C(=O)[C@@H]3CCN3C3CCCC3)C2)CC1 ZINC000635735961 406717018 /nfs/dbraw/zinc/71/70/18/406717018.db2.gz MTHCUQPOMXOFKE-WMZOPIPTSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@@H](C(=O)N(C)C1CCCCC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420317937 286740143 /nfs/dbraw/zinc/74/01/43/286740143.db2.gz PGOBNGPGFBFWTG-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000646181048 406810012 /nfs/dbraw/zinc/81/00/12/406810012.db2.gz RGADBJPYFBYRBX-YQQAZPJKSA-N 1 3 318.465 2.249 20 0 DEADHO CCC[C@@](C)(N)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000646279080 406833580 /nfs/dbraw/zinc/83/35/80/406833580.db2.gz WSPCKLXBPNGEBL-QGZVFWFLSA-N 1 3 307.438 2.473 20 0 DEADHO C[C@@H](C(=O)N[C@H](CN1CCCCC1)c1ccccc1)[C@H](C)[NH3+] ZINC000646409848 406858984 /nfs/dbraw/zinc/85/89/84/406858984.db2.gz AQGBZRMAYXIWDT-HLLBOEOZSA-N 1 3 303.450 2.313 20 0 DEADHO F[C@@H]1CN[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000643538707 407012554 /nfs/dbraw/zinc/01/25/54/407012554.db2.gz SHELXGNONHDGGG-FKSLSLAPSA-N 1 3 317.452 2.472 20 0 DEADHO CN(C)c1ncc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647543653 407017481 /nfs/dbraw/zinc/01/74/81/407017481.db2.gz QWNYJSIYLNDUAN-KBPBESRZSA-N 1 3 308.495 2.421 20 0 DEADHO COCCCn1nccc1CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543796 407017534 /nfs/dbraw/zinc/01/75/34/407017534.db2.gz SAYREQBPNCJKDY-SJORKVTESA-N 1 3 320.481 2.131 20 0 DEADHO CC[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1nnc2n1CCCCC2 ZINC000647790393 407051340 /nfs/dbraw/zinc/05/13/40/407051340.db2.gz XOFKZZBIAYMCPX-FPCVCCKLSA-N 1 3 317.481 2.433 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000643453293 407002526 /nfs/dbraw/zinc/00/25/26/407002526.db2.gz YVAOXWDIOUUWKP-XNJGSVPQSA-N 1 3 309.404 2.379 20 0 DEADHO Cc1cccc(C)c1OC[C@H](O)CN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000643464011 407003780 /nfs/dbraw/zinc/00/37/80/407003780.db2.gz UNSLXPAJPBIDHP-XKQJLSEDSA-N 1 3 306.450 2.021 20 0 DEADHO CN(C)C[C@@H]1CC[N@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647970865 407089616 /nfs/dbraw/zinc/08/96/16/407089616.db2.gz JJOLSEPGPGHBOK-CVEARBPZSA-N 1 3 309.498 2.155 20 0 DEADHO CN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647970865 407089618 /nfs/dbraw/zinc/08/96/18/407089618.db2.gz JJOLSEPGPGHBOK-CVEARBPZSA-N 1 3 309.498 2.155 20 0 DEADHO C[NH+](C)C[C@@H]1CCN(C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647970865 407089619 /nfs/dbraw/zinc/08/96/19/407089619.db2.gz JJOLSEPGPGHBOK-CVEARBPZSA-N 1 3 309.498 2.155 20 0 DEADHO CCC(CC)NC(=O)[C@H](C)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976537 407091558 /nfs/dbraw/zinc/09/15/58/407091558.db2.gz PTHXFFMXILSSIO-HRCADAONSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@@H]1CCCCN1C(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647974923 407091867 /nfs/dbraw/zinc/09/18/67/407091867.db2.gz BZLMLCPGPDNURE-RCCFBDPRSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H](C(=O)N1CCCCC1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978470 407092562 /nfs/dbraw/zinc/09/25/62/407092562.db2.gz SOFUKQYUKCXZOV-IXDOHACOSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1CCCCN1C(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977149 407092964 /nfs/dbraw/zinc/09/29/64/407092964.db2.gz YKPCVSBEHGUUHW-ZACQAIPSSA-N 1 3 307.482 2.099 20 0 DEADHO CC[C@@H]1CN(CCC(=O)N2CCc3sccc3C2)CC[C@@H]1[NH3+] ZINC000647936453 407079169 /nfs/dbraw/zinc/07/91/69/407079169.db2.gz FHKFWLKNZQXZMR-HIFRSBDPSA-N 1 3 321.490 2.082 20 0 DEADHO COc1ccccc1[C@H](N)CNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000644092716 407085575 /nfs/dbraw/zinc/08/55/75/407085575.db2.gz SGQNBFNABFPGAH-HZPDHXFCSA-N 1 3 319.449 2.109 20 0 DEADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc(C)cc2C)C1 ZINC000644530203 407137195 /nfs/dbraw/zinc/13/71/95/407137195.db2.gz WIOBJUFEUDTHPT-QZTJIDSGSA-N 1 3 320.477 2.365 20 0 DEADHO C[C@@H](O)C[NH2+]CCCOC1CCN(Cc2ccccc2)CC1 ZINC000644584422 407146766 /nfs/dbraw/zinc/14/67/66/407146766.db2.gz YEEFATIUQDQPCZ-MRXNPFEDSA-N 1 3 306.450 2.028 20 0 DEADHO CCc1cccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@H](N(C)C)C2)c1 ZINC000644583783 407146887 /nfs/dbraw/zinc/14/68/87/407146887.db2.gz IKCVEVPNXNTTDY-OKZBNKHCSA-N 1 3 320.477 2.451 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000645509428 407287330 /nfs/dbraw/zinc/28/73/30/407287330.db2.gz CIDPDTPQVUURMB-HZPDHXFCSA-N 1 3 312.502 2.233 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000645509428 407287331 /nfs/dbraw/zinc/28/73/31/407287331.db2.gz CIDPDTPQVUURMB-HZPDHXFCSA-N 1 3 312.502 2.233 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000358113738 287011572 /nfs/dbraw/zinc/01/15/72/287011572.db2.gz PKWIECWZDSZJTK-DOTOQJQBSA-N 1 3 322.497 2.201 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000358113738 287011576 /nfs/dbraw/zinc/01/15/76/287011576.db2.gz PKWIECWZDSZJTK-DOTOQJQBSA-N 1 3 322.497 2.201 20 0 DEADHO C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N)COCc1ccccc1 ZINC000422772489 298785818 /nfs/dbraw/zinc/78/58/18/298785818.db2.gz ZCKMAHLUGJEBCP-CYGHRXIMSA-N 1 3 306.450 2.181 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2(N)CCCC2)C1 ZINC000178740639 287271447 /nfs/dbraw/zinc/27/14/47/287271447.db2.gz JDUPOUJHRXNZGF-CVEARBPZSA-N 1 3 307.482 2.371 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C2(N)CCCC2)C1 ZINC000178740639 287271449 /nfs/dbraw/zinc/27/14/49/287271449.db2.gz JDUPOUJHRXNZGF-CVEARBPZSA-N 1 3 307.482 2.371 20 0 DEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN(C)CC[C@@H]2C)C1 ZINC000355504775 287343827 /nfs/dbraw/zinc/34/38/27/287343827.db2.gz IRIRSGYMFATACQ-CVEARBPZSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN(C)CC[C@@H]2C)C1 ZINC000355504775 287343828 /nfs/dbraw/zinc/34/38/28/287343828.db2.gz IRIRSGYMFATACQ-CVEARBPZSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H]1CSC[C@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000295871394 225331554 /nfs/dbraw/zinc/33/15/54/225331554.db2.gz XHXGPUXZVNMAFB-KBXCAEBGSA-N 1 3 320.502 2.484 20 0 DEADHO Cc1ccc([C@H](CNC(=O)NC2CCC([NH3+])CC2)N(C)C)cc1 ZINC000417313353 229007025 /nfs/dbraw/zinc/00/70/25/229007025.db2.gz PDNYWFRYFOZMJG-JCYILVPMSA-N 1 3 318.465 2.167 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)NCCCC[NH3+])CCN1Cc1ccccc1 ZINC000417837435 229120230 /nfs/dbraw/zinc/12/02/30/229120230.db2.gz MKEKHOUHEDXELK-RDJZCZTQSA-N 1 3 318.465 2.078 20 0 DEADHO N[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000417698917 229070754 /nfs/dbraw/zinc/07/07/54/229070754.db2.gz FESICSPXUKFZQZ-RDJZCZTQSA-N 1 3 316.449 2.003 20 0 DEADHO N[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000417698917 229070756 /nfs/dbraw/zinc/07/07/56/229070756.db2.gz FESICSPXUKFZQZ-RDJZCZTQSA-N 1 3 316.449 2.003 20 0 DEADHO CN(C)C(=O)c1ccccc1C[N@@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000418068335 229210190 /nfs/dbraw/zinc/21/01/90/229210190.db2.gz PVUIPBVLMFWZIV-IBGZPJMESA-N 1 3 315.461 2.306 20 0 DEADHO CN(C)C(=O)c1ccccc1C[N@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000418068335 229210192 /nfs/dbraw/zinc/21/01/92/229210192.db2.gz PVUIPBVLMFWZIV-IBGZPJMESA-N 1 3 315.461 2.306 20 0 DEADHO COCCN(C)CC[C@H](N[C@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000422712705 230171433 /nfs/dbraw/zinc/17/14/33/230171433.db2.gz ITIYNODABHIWFF-SQNIBIBYSA-N 1 3 305.466 2.165 20 0 DEADHO COCCN(C)CC[C@@H](NC1CC[NH2+]CC1)c1ccccc1 ZINC000422719817 230176444 /nfs/dbraw/zinc/17/64/44/230176444.db2.gz RNYIEBXEBZUHCI-GOSISDBHSA-N 1 3 305.466 2.038 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000422872125 230252150 /nfs/dbraw/zinc/25/21/50/230252150.db2.gz FTWVSBZBKDMATQ-UHFFFAOYSA-N 1 3 315.461 2.352 20 0 DEADHO Cc1ccc(OCCCC[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)N)cc1 ZINC000422896820 230267278 /nfs/dbraw/zinc/26/72/78/230267278.db2.gz IQIVOVFDTLPNPR-KBAYOESNSA-N 1 3 306.450 2.496 20 0 DEADHO Cc1cc(C)n(-c2ccc(CN[C@H]3CCCC[C@H]3C[NH3+])cn2)n1 ZINC000422897411 230268018 /nfs/dbraw/zinc/26/80/18/230268018.db2.gz JOSHGKZFOLIVIZ-IRXDYDNUSA-N 1 3 313.449 2.491 20 0 DEADHO C[C@H](C[C@H]1COCCN1)[NH2+]C[C@@H]1CCCN1CC1CCCCC1 ZINC000422910452 230272473 /nfs/dbraw/zinc/27/24/73/230272473.db2.gz QLZMEYQXDHFVNC-NEWSRXKRSA-N 1 3 323.525 2.388 20 0 DEADHO C[C@H](C[C@H]1COCCN1)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000422910452 230272476 /nfs/dbraw/zinc/27/24/76/230272476.db2.gz QLZMEYQXDHFVNC-NEWSRXKRSA-N 1 3 323.525 2.388 20 0 DEADHO C[C@H](C[C@H]1COCCN1)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000422910452 230272481 /nfs/dbraw/zinc/27/24/81/230272481.db2.gz QLZMEYQXDHFVNC-NEWSRXKRSA-N 1 3 323.525 2.388 20 0 DEADHO Fc1ccc(CC[NH2+]C2CCNCC2)cc1Br ZINC000422933154 230282184 /nfs/dbraw/zinc/28/21/84/230282184.db2.gz HFDJKDNOJDABJC-UHFFFAOYSA-N 1 3 301.203 2.472 20 0 DEADHO Fc1ccc(CCNC2CC[NH2+]CC2)cc1Br ZINC000422933154 230282189 /nfs/dbraw/zinc/28/21/89/230282189.db2.gz HFDJKDNOJDABJC-UHFFFAOYSA-N 1 3 301.203 2.472 20 0 DEADHO C[C@@H](NCCc1ccc(F)c(Br)c1)C1C[NH2+]C1 ZINC000422944589 230287311 /nfs/dbraw/zinc/28/73/11/230287311.db2.gz ZYHABOQOMBUCCP-SECBINFHSA-N 1 3 301.203 2.328 20 0 DEADHO C[C@@H]([NH2+]CCc1ccc(F)c(Br)c1)C1CNC1 ZINC000422944589 230287317 /nfs/dbraw/zinc/28/73/17/230287317.db2.gz ZYHABOQOMBUCCP-SECBINFHSA-N 1 3 301.203 2.328 20 0 DEADHO Cc1nccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422953983 230294486 /nfs/dbraw/zinc/29/44/86/230294486.db2.gz GTWGOEMXSGOCBC-QWHCGFSZSA-N 1 3 301.438 2.341 20 0 DEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000423010407 230314814 /nfs/dbraw/zinc/31/48/14/230314814.db2.gz GEWZBZISUJMEDU-BZSNNMDCSA-N 1 3 315.461 2.142 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000423017128 230317770 /nfs/dbraw/zinc/31/77/70/230317770.db2.gz OCXOCJSPTFSYLL-KKBVYLPWSA-N 1 3 301.434 2.457 20 0 DEADHO C[C@@H](C(=O)N[C@H]1CC[N@H+](CCCF)[C@@H]1C)N1CCCCCC1 ZINC001088897814 782028969 /nfs/dbraw/zinc/02/89/69/782028969.db2.gz YGSSOOMAIDSAHX-PMPSAXMXSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H](C(=O)N[C@H]1CC[N@@H+](CCCF)[C@@H]1C)N1CCCCCC1 ZINC001088897814 782028981 /nfs/dbraw/zinc/02/89/81/782028981.db2.gz YGSSOOMAIDSAHX-PMPSAXMXSA-N 1 3 313.461 2.190 20 0 DEADHO Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1 ZINC000423057911 230332578 /nfs/dbraw/zinc/33/25/78/230332578.db2.gz ILOXXSDJKQNDQY-MAUKXSAKSA-N 1 3 313.445 2.411 20 0 DEADHO [NH3+][C@H]1CCC[C@H]1NCCCOc1ccc(C(F)(F)F)cn1 ZINC000423070570 230336378 /nfs/dbraw/zinc/33/63/78/230336378.db2.gz GFNKBEZALPZQPC-NWDGAFQWSA-N 1 3 303.328 2.339 20 0 DEADHO Cc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1S(C)(=O)=O ZINC000423072061 230337751 /nfs/dbraw/zinc/33/77/51/230337751.db2.gz GPAVKLPTYJOBNE-LSDHHAIUSA-N 1 3 310.463 2.006 20 0 DEADHO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2CN)cc1S(C)(=O)=O ZINC000423072061 230337755 /nfs/dbraw/zinc/33/77/55/230337755.db2.gz GPAVKLPTYJOBNE-LSDHHAIUSA-N 1 3 310.463 2.006 20 0 DEADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000423067129 230338289 /nfs/dbraw/zinc/33/82/89/230338289.db2.gz YNXGDWVFSUCFMG-JSGCOSHPSA-N 1 3 307.404 2.238 20 0 DEADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(N2CCOCC2)c1 ZINC000423139000 230362143 /nfs/dbraw/zinc/36/21/43/230362143.db2.gz UTXSIFQYLDFEBP-ZWKOTPCHSA-N 1 3 303.450 2.273 20 0 DEADHO CN(C(=O)Cc1c[nH]cn1)C1CCC([NH2+]C/C=C/Cl)CC1 ZINC001368905264 1148759667 /nfs/dbraw/zinc/75/96/67/1148759667.db2.gz SZTAALIXCKWFMW-FARCUNLSSA-N 1 3 310.829 2.064 20 0 DEADHO O[C@@H]1CCCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000305723570 424893050 /nfs/dbraw/zinc/89/30/50/424893050.db2.gz DYLMICSOVDOVIQ-QGZVFWFLSA-N 1 3 304.434 2.118 20 0 DEADHO CC[C@H](NCc1ccc(OCC[NH+](C)C)cc1)[C@H](O)C(F)F ZINC000648694019 424894506 /nfs/dbraw/zinc/89/45/06/424894506.db2.gz RLWOCMQNYQTVKJ-GJZGRUSLSA-N 1 3 316.392 2.121 20 0 DEADHO C[C@H]1CCN(C)CCN1C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416162647 424955114 /nfs/dbraw/zinc/95/51/14/424955114.db2.gz VSIYGQQTXJZPAV-DOTOQJQBSA-N 1 3 303.450 2.232 20 0 DEADHO CCC[N@@H+](CCc1scnc1C)CCN1CCN(CC)CC1 ZINC000344138136 424986653 /nfs/dbraw/zinc/98/66/53/424986653.db2.gz XANYYSBYZHVSEP-UHFFFAOYSA-N 1 3 324.538 2.344 20 0 DEADHO CCC[N@H+](CCc1scnc1C)CCN1CCN(CC)CC1 ZINC000344138136 424986655 /nfs/dbraw/zinc/98/66/55/424986655.db2.gz XANYYSBYZHVSEP-UHFFFAOYSA-N 1 3 324.538 2.344 20 0 DEADHO C[C@H]1C[C@@H](N(C)C(=O)[C@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000649330136 424995727 /nfs/dbraw/zinc/99/57/27/424995727.db2.gz ZKLANLBNMRQAMU-RYQLBKOJSA-N 1 3 315.461 2.250 20 0 DEADHO Cc1nc(C)c(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000650706981 425039726 /nfs/dbraw/zinc/03/97/26/425039726.db2.gz WFNWMOHPHAEMGS-ZNMIVQPWSA-N 1 3 309.479 2.478 20 0 DEADHO CC[N@H+](CCCNC(=O)N[C@@H]1CCCN(C)C1)C1CCCCC1 ZINC000650725383 425042529 /nfs/dbraw/zinc/04/25/29/425042529.db2.gz ZLJXNXNJPOAQFK-MRXNPFEDSA-N 1 3 324.513 2.425 20 0 DEADHO CC[N@@H+](CCCNC(=O)N[C@@H]1CCCN(C)C1)C1CCCCC1 ZINC000650725383 425042531 /nfs/dbraw/zinc/04/25/31/425042531.db2.gz ZLJXNXNJPOAQFK-MRXNPFEDSA-N 1 3 324.513 2.425 20 0 DEADHO CCOc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)nc1 ZINC000650724052 425042752 /nfs/dbraw/zinc/04/27/52/425042752.db2.gz XPTVUZWFGCLYAL-BMGDILEWSA-N 1 3 319.449 2.341 20 0 DEADHO COc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1O ZINC000650721938 425042924 /nfs/dbraw/zinc/04/29/24/425042924.db2.gz GYLCRSFNAKUTFE-DAYGRLMNSA-N 1 3 320.433 2.262 20 0 DEADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000650757950 425049032 /nfs/dbraw/zinc/04/90/32/425049032.db2.gz FJUKFYJCRWNBKF-CQSZACIVSA-N 1 3 322.416 2.233 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000660634247 425184318 /nfs/dbraw/zinc/18/43/18/425184318.db2.gz NOEQTECKLPWXJX-CABCVRRESA-N 1 3 310.486 2.033 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000660634247 425184320 /nfs/dbraw/zinc/18/43/20/425184320.db2.gz NOEQTECKLPWXJX-CABCVRRESA-N 1 3 310.486 2.033 20 0 DEADHO O=C1CC[C@@H](CN2CCC([NH2+]Cc3ccccc3)CC2)CCN1 ZINC000660678934 425205285 /nfs/dbraw/zinc/20/52/85/425205285.db2.gz GVBUBDJQIGHAQA-QGZVFWFLSA-N 1 3 315.461 2.157 20 0 DEADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2cc3cnccc3o2)CC1 ZINC000651733471 425145043 /nfs/dbraw/zinc/14/50/43/425145043.db2.gz IKTLBTZPWUGYHX-IAGOWNOFSA-N 1 3 315.417 2.295 20 0 DEADHO COC[C@@H](CC(C)(C)C)[NH2+]CC1(O)CCN(C(C)C)CC1 ZINC000651732565 425145190 /nfs/dbraw/zinc/14/51/90/425145190.db2.gz ZLGLXXLDXJHDGI-OAHLLOKOSA-N 1 3 300.487 2.263 20 0 DEADHO CC(C)CN(C)CCC[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000651865963 425149872 /nfs/dbraw/zinc/14/98/72/425149872.db2.gz OKGMAYHPDZFBGY-UHFFFAOYSA-N 1 3 321.465 2.452 20 0 DEADHO CC(C)C[N@H+](C)CCCNC1CCN(C(=O)c2ccoc2)CC1 ZINC000651865963 425149873 /nfs/dbraw/zinc/14/98/73/425149873.db2.gz OKGMAYHPDZFBGY-UHFFFAOYSA-N 1 3 321.465 2.452 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC1CCN(C(=O)c2ccoc2)CC1 ZINC000651865963 425149874 /nfs/dbraw/zinc/14/98/74/425149874.db2.gz OKGMAYHPDZFBGY-UHFFFAOYSA-N 1 3 321.465 2.452 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000666662544 425156045 /nfs/dbraw/zinc/15/60/45/425156045.db2.gz COXAIJDOLRKFKP-INIZCTEOSA-N 1 3 324.513 2.375 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000666662544 425156048 /nfs/dbraw/zinc/15/60/48/425156048.db2.gz COXAIJDOLRKFKP-INIZCTEOSA-N 1 3 324.513 2.375 20 0 DEADHO CC(C)N(C)C[C@@H](O)C[N@H+](C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000660555384 425157352 /nfs/dbraw/zinc/15/73/52/425157352.db2.gz YHDWWAQYFAKMFQ-ZIFCJYIRSA-N 1 3 322.493 2.174 20 0 DEADHO CC(C)N(C)C[C@@H](O)C[N@@H+](C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000660555384 425157357 /nfs/dbraw/zinc/15/73/57/425157357.db2.gz YHDWWAQYFAKMFQ-ZIFCJYIRSA-N 1 3 322.493 2.174 20 0 DEADHO COC1([C@H](C)[NH2+]C[C@H]2CCCN(CC3CC3)C2)CCOCC1 ZINC000663465295 425163859 /nfs/dbraw/zinc/16/38/59/425163859.db2.gz JGWAFZYIIYAVML-DOTOQJQBSA-N 1 3 310.482 2.282 20 0 DEADHO COC1([C@H](C)NC[C@H]2CCC[N@H+](CC3CC3)C2)CCOCC1 ZINC000663465295 425163864 /nfs/dbraw/zinc/16/38/64/425163864.db2.gz JGWAFZYIIYAVML-DOTOQJQBSA-N 1 3 310.482 2.282 20 0 DEADHO COC1([C@H](C)NC[C@H]2CCC[N@@H+](CC3CC3)C2)CCOCC1 ZINC000663465295 425163869 /nfs/dbraw/zinc/16/38/69/425163869.db2.gz JGWAFZYIIYAVML-DOTOQJQBSA-N 1 3 310.482 2.282 20 0 DEADHO C[NH2+]Cc1ccccc1CNC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000652291439 425232402 /nfs/dbraw/zinc/23/24/02/425232402.db2.gz TXCGIVPJEKRYKM-QGZVFWFLSA-N 1 3 318.465 2.030 20 0 DEADHO CCN(C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCN(C)C1 ZINC000663799630 425238927 /nfs/dbraw/zinc/23/89/27/425238927.db2.gz DUJCHIIKZHHEPQ-YYIAUSFCSA-N 1 3 324.513 2.088 20 0 DEADHO CCN(C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCN(C)C1 ZINC000663799630 425238931 /nfs/dbraw/zinc/23/89/31/425238931.db2.gz DUJCHIIKZHHEPQ-YYIAUSFCSA-N 1 3 324.513 2.088 20 0 DEADHO CCN1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000660819026 425244483 /nfs/dbraw/zinc/24/44/83/425244483.db2.gz HEENDPCVZQXATG-INIZCTEOSA-N 1 3 322.497 2.177 20 0 DEADHO CCN1CCC(NC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000660819026 425244488 /nfs/dbraw/zinc/24/44/88/425244488.db2.gz HEENDPCVZQXATG-INIZCTEOSA-N 1 3 322.497 2.177 20 0 DEADHO NC[C@]12CCC[C@H]1C[N@H+](CCC(=O)NCC1CCCCC1)C2 ZINC000652352111 425244632 /nfs/dbraw/zinc/24/46/32/425244632.db2.gz GNFNWOWYOGLIHT-WMZOPIPTSA-N 1 3 307.482 2.134 20 0 DEADHO NC[C@]12CCC[C@H]1C[N@@H+](CCC(=O)NCC1CCCCC1)C2 ZINC000652352111 425244637 /nfs/dbraw/zinc/24/46/37/425244637.db2.gz GNFNWOWYOGLIHT-WMZOPIPTSA-N 1 3 307.482 2.134 20 0 DEADHO COc1cccc(NC(=O)CC[N@@H+]2CCC[C@H](C)[C@@H]2CCN)c1 ZINC000652354628 425248375 /nfs/dbraw/zinc/24/83/75/425248375.db2.gz CZUNISJJUBEKBE-YOEHRIQHSA-N 1 3 319.449 2.473 20 0 DEADHO COc1cccc(NC(=O)CC[N@H+]2CCC[C@H](C)[C@@H]2CCN)c1 ZINC000652354628 425248376 /nfs/dbraw/zinc/24/83/76/425248376.db2.gz CZUNISJJUBEKBE-YOEHRIQHSA-N 1 3 319.449 2.473 20 0 DEADHO COc1cccc(NC(=O)CCN2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000652354628 425248377 /nfs/dbraw/zinc/24/83/77/425248377.db2.gz CZUNISJJUBEKBE-YOEHRIQHSA-N 1 3 319.449 2.473 20 0 DEADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2CCOc2ccccc2)C1 ZINC000652361032 425249487 /nfs/dbraw/zinc/24/94/87/425249487.db2.gz WSYIVYMUVAWTGL-NXHRZFHOSA-N 1 3 304.434 2.426 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@]3(C)CC3(C)C)CC2)CC1 ZINC000663876650 425257590 /nfs/dbraw/zinc/25/75/90/425257590.db2.gz JVCKXTXAGWCRPZ-GOSISDBHSA-N 1 3 322.497 2.033 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000653955139 425259718 /nfs/dbraw/zinc/25/97/18/425259718.db2.gz LUVBLEXJZCNYPU-IXDOHACOSA-N 1 3 322.497 2.033 20 0 DEADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000653955139 425259722 /nfs/dbraw/zinc/25/97/22/425259722.db2.gz LUVBLEXJZCNYPU-IXDOHACOSA-N 1 3 322.497 2.033 20 0 DEADHO CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)[C@H]1CCN(CC)C1 ZINC000663692437 425214143 /nfs/dbraw/zinc/21/41/43/425214143.db2.gz GEQRUZOCAMUGRH-HOTGVXAUSA-N 1 3 312.502 2.088 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)NCCC1(C[NH3+])CC1 ZINC000652234905 425221543 /nfs/dbraw/zinc/22/15/43/425221543.db2.gz OFLJGIIKXNNDIN-UHFFFAOYSA-N 1 3 310.486 2.023 20 0 DEADHO CC[C@@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)CO1 ZINC000657378458 425320014 /nfs/dbraw/zinc/32/00/14/425320014.db2.gz WVXLMKZZNQBRIC-IAGOWNOFSA-N 1 3 309.498 2.094 20 0 DEADHO c1cc(CNCC2CC[NH+](C3CC3)CC2)n(-c2ccncc2)n1 ZINC000657450489 425336987 /nfs/dbraw/zinc/33/69/87/425336987.db2.gz WCGCZVGRJCBKGB-UHFFFAOYSA-N 1 3 311.433 2.231 20 0 DEADHO c1nc2n(c1C[NH2+]C[C@@H]1CCN(Cc3ccccc3)C1)CCC2 ZINC000657452849 425338264 /nfs/dbraw/zinc/33/82/64/425338264.db2.gz LANZDALYRCKWHS-KRWDZBQOSA-N 1 3 310.445 2.441 20 0 DEADHO CC[C@H]1C[C@@H]([NH2+]CCc2ccc(OCCN(C)C)cc2)CO1 ZINC000657351694 425313905 /nfs/dbraw/zinc/31/39/05/425313905.db2.gz SIJSCDLJUCNOMS-SJORKVTESA-N 1 3 306.450 2.327 20 0 DEADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654422851 425349338 /nfs/dbraw/zinc/34/93/38/425349338.db2.gz RFDJADPPKXAGCI-JYJNAYRXSA-N 1 3 310.486 2.033 20 0 DEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654422851 425349341 /nfs/dbraw/zinc/34/93/41/425349341.db2.gz RFDJADPPKXAGCI-JYJNAYRXSA-N 1 3 310.486 2.033 20 0 DEADHO CO[C@H](CNC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCOC1 ZINC000657540953 425360505 /nfs/dbraw/zinc/36/05/05/425360505.db2.gz JSXUVHYNBAYROP-CRAIPNDOSA-N 1 3 310.482 2.425 20 0 DEADHO CO[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1CCOC1 ZINC000657540953 425360510 /nfs/dbraw/zinc/36/05/10/425360510.db2.gz JSXUVHYNBAYROP-CRAIPNDOSA-N 1 3 310.482 2.425 20 0 DEADHO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCN3CCC[C@@H]3C2)cn1 ZINC000657691514 425387633 /nfs/dbraw/zinc/38/76/33/425387633.db2.gz STCMUCITUZCVDU-MLHJIOFPSA-N 1 3 302.466 2.348 20 0 DEADHO Cn1cc(C[C@@H]2CCC[C@@H]2N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000657691514 425387636 /nfs/dbraw/zinc/38/76/36/425387636.db2.gz STCMUCITUZCVDU-MLHJIOFPSA-N 1 3 302.466 2.348 20 0 DEADHO Cn1cc(C[C@@H]2CCC[C@@H]2N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000657691514 425387639 /nfs/dbraw/zinc/38/76/39/425387639.db2.gz STCMUCITUZCVDU-MLHJIOFPSA-N 1 3 302.466 2.348 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654603651 425395924 /nfs/dbraw/zinc/39/59/24/425395924.db2.gz LPULHMMDDYGEBZ-SJORKVTESA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654603651 425395926 /nfs/dbraw/zinc/39/59/26/425395926.db2.gz LPULHMMDDYGEBZ-SJORKVTESA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)[NH+](CCNC(=O)NC[C@H]1CCN1C(C)(C)C)C(C)C ZINC000661398024 425398017 /nfs/dbraw/zinc/39/80/17/425398017.db2.gz SJIMLUQHTAVXPA-OAHLLOKOSA-N 1 3 312.502 2.277 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000661406166 425399886 /nfs/dbraw/zinc/39/98/86/425399886.db2.gz IPIMXBSOSJZEQB-UONOGXRCSA-N 1 3 310.486 2.031 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661406166 425399891 /nfs/dbraw/zinc/39/98/91/425399891.db2.gz IPIMXBSOSJZEQB-UONOGXRCSA-N 1 3 310.486 2.031 20 0 DEADHO Cc1nocc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613609 425377542 /nfs/dbraw/zinc/37/75/42/425377542.db2.gz NZVOMVNAXIIECF-UHFFFAOYSA-N 1 3 300.406 2.380 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654566373 425383363 /nfs/dbraw/zinc/38/33/63/425383363.db2.gz AWUXNNJLJOTFBP-IXDOHACOSA-N 1 3 324.513 2.423 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654566373 425383367 /nfs/dbraw/zinc/38/33/67/425383367.db2.gz AWUXNNJLJOTFBP-IXDOHACOSA-N 1 3 324.513 2.423 20 0 DEADHO COCCC[C@@H](C)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658138246 425443342 /nfs/dbraw/zinc/44/33/42/425443342.db2.gz JBXAXQHUHARDRR-QAPCUYQASA-N 1 3 306.450 2.158 20 0 DEADHO CC(C)(C(=O)N1CCC(CC[NH3+])CC1)[C@H](N)c1ccccc1 ZINC000653256288 425445772 /nfs/dbraw/zinc/44/57/72/425445772.db2.gz KMKXCHODFRYBGB-MRXNPFEDSA-N 1 3 303.450 2.300 20 0 DEADHO CCOC1CC([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000658164476 425450249 /nfs/dbraw/zinc/45/02/49/425450249.db2.gz DOERBSVKOIQCJQ-UHFFFAOYSA-N 1 3 303.450 2.451 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000654933776 425469348 /nfs/dbraw/zinc/46/93/48/425469348.db2.gz BHMFCGPVCOZACB-SFHVURJKSA-N 1 3 317.477 2.307 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000654933776 425469353 /nfs/dbraw/zinc/46/93/53/425469353.db2.gz BHMFCGPVCOZACB-SFHVURJKSA-N 1 3 317.477 2.307 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000654933775 425469780 /nfs/dbraw/zinc/46/97/80/425469780.db2.gz BHMFCGPVCOZACB-GOSISDBHSA-N 1 3 317.477 2.307 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000654933775 425469784 /nfs/dbraw/zinc/46/97/84/425469784.db2.gz BHMFCGPVCOZACB-GOSISDBHSA-N 1 3 317.477 2.307 20 0 DEADHO CC(C)(C)O[C@@H]1C[C@@H](NC[C@@H](O)C[NH+]2CCCC2)C12CCC2 ZINC000661850309 425513898 /nfs/dbraw/zinc/51/38/98/425513898.db2.gz ZYMVMKWDOQVXEQ-BZUAXINKSA-N 1 3 310.482 2.159 20 0 DEADHO CN(C)CCOc1cccc(NC(=O)NCC2([NH3+])CCCC2)c1 ZINC000658985911 425516172 /nfs/dbraw/zinc/51/61/72/425516172.db2.gz NDFAKMRRDIIYRZ-UHFFFAOYSA-N 1 3 320.437 2.020 20 0 DEADHO C[C@@H]1C[C@@H](N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CN1C1CC1 ZINC000665254347 425529141 /nfs/dbraw/zinc/52/91/41/425529141.db2.gz OESNSNHAGXAFQY-ZQNRLITLSA-N 1 3 317.452 2.486 20 0 DEADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2CN(C)C[C@@H]2C)cc1 ZINC000665255297 425530915 /nfs/dbraw/zinc/53/09/15/425530915.db2.gz OEJJGEONIZWMCB-UDTPNQRGSA-N 1 3 317.477 2.071 20 0 DEADHO COC[C@@H](CCC[NH3+])NCc1cc(-c2ccccc2OC)no1 ZINC000665299572 425539159 /nfs/dbraw/zinc/53/91/59/425539159.db2.gz PLGZWZPLOAWVMT-CYBMUJFWSA-N 1 3 319.405 2.194 20 0 DEADHO CN(C(=O)NC[C@@H]1CCN1C(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000665357352 425551599 /nfs/dbraw/zinc/55/15/99/425551599.db2.gz KUECKDCJBUAYGW-QGPPMGRFSA-N 1 3 322.497 2.126 20 0 DEADHO CN(C(=O)NC[C@@H]1CCN1C(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000665357352 425551601 /nfs/dbraw/zinc/55/16/01/425551601.db2.gz KUECKDCJBUAYGW-QGPPMGRFSA-N 1 3 322.497 2.126 20 0 DEADHO [NH3+]C[C@H](NC(=O)C[C@H]1NCc2ccccc21)C1CCCCC1 ZINC000659297588 425570553 /nfs/dbraw/zinc/57/05/53/425570553.db2.gz QEDZVTHLSOCDII-SJORKVTESA-N 1 3 301.434 2.245 20 0 DEADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C[C@@H]1NCc2ccccc21 ZINC000659318799 425575358 /nfs/dbraw/zinc/57/53/58/425575358.db2.gz HUBLHONVCSANOH-KSSFIOAISA-N 1 3 315.461 2.410 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655467775 425576034 /nfs/dbraw/zinc/57/60/34/425576034.db2.gz JNSXPRIPLKKTKM-IEBWSBKVSA-N 1 3 321.509 2.347 20 0 DEADHO COC[C@H](C[N@@H+]1CCCC[C@H]1[C@@H](CN)Cc1ccccc1)OC ZINC000662271063 425610802 /nfs/dbraw/zinc/61/08/02/425610802.db2.gz QEURHGQYBKXQMX-QYZOEREBSA-N 1 3 320.477 2.320 20 0 DEADHO COC[C@H](C[N@H+]1CCCC[C@H]1[C@@H](CN)Cc1ccccc1)OC ZINC000662271063 425610806 /nfs/dbraw/zinc/61/08/06/425610806.db2.gz QEURHGQYBKXQMX-QYZOEREBSA-N 1 3 320.477 2.320 20 0 DEADHO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C[C@H]1NCc2ccccc21 ZINC000659325981 425578223 /nfs/dbraw/zinc/57/82/23/425578223.db2.gz PSOPLSXHTGTISV-RTBURBONSA-N 1 3 321.424 2.306 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN(CCC2CC2)CC2CC2)CC1 ZINC000662178854 425583637 /nfs/dbraw/zinc/58/36/37/425583637.db2.gz ICYJMLGLZSWOQW-UHFFFAOYSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N(C)CC(C)(C)[NH3+])CN1Cc1ccccc1 ZINC000659468661 425611154 /nfs/dbraw/zinc/61/11/54/425611154.db2.gz DBAVYQLYQORJJR-GDBMZVCRSA-N 1 3 318.465 2.028 20 0 DEADHO COc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662249714 425602944 /nfs/dbraw/zinc/60/29/44/425602944.db2.gz YIPQCQFYJXPYGV-IAGOWNOFSA-N 1 3 302.418 2.353 20 0 DEADHO COc1ccc([C@H]2CCC[N@H+]2C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662249714 425602945 /nfs/dbraw/zinc/60/29/45/425602945.db2.gz YIPQCQFYJXPYGV-IAGOWNOFSA-N 1 3 302.418 2.353 20 0 DEADHO c1ccc(COC[C@@H]2CC[N@H+](C[C@@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662256806 425604564 /nfs/dbraw/zinc/60/45/64/425604564.db2.gz KXIXFTGENKLDHP-MSOLQXFVSA-N 1 3 316.445 2.046 20 0 DEADHO c1ccc(COC[C@@H]2CC[N@@H+](C[C@@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662256806 425604567 /nfs/dbraw/zinc/60/45/67/425604567.db2.gz KXIXFTGENKLDHP-MSOLQXFVSA-N 1 3 316.445 2.046 20 0 DEADHO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCC3(CNC3)O2)C1(CC)CC ZINC000662259355 425604826 /nfs/dbraw/zinc/60/48/26/425604826.db2.gz VPKGWXFTBYPMFP-ARFHVFGLSA-N 1 3 310.482 2.423 20 0 DEADHO CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCC3(CNC3)O2)C1(CC)CC ZINC000662259355 425604830 /nfs/dbraw/zinc/60/48/30/425604830.db2.gz VPKGWXFTBYPMFP-ARFHVFGLSA-N 1 3 310.482 2.423 20 0 DEADHO CN(C)CC1(C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CCCC1 ZINC000655755354 425646290 /nfs/dbraw/zinc/64/62/90/425646290.db2.gz ZLUSWVSIARDGTP-SFHVURJKSA-N 1 3 323.525 2.341 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000662425219 425647624 /nfs/dbraw/zinc/64/76/24/425647624.db2.gz CDKKNASHFKGEFF-DLBZAZTESA-N 1 3 303.450 2.246 20 0 DEADHO CCCCN(C)C[C@H](C)[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000655768326 425649989 /nfs/dbraw/zinc/64/99/89/425649989.db2.gz VSAUEHUJTTVKDX-FUHWJXTLSA-N 1 3 311.514 2.340 20 0 DEADHO CC[C@@H]([NH2+]C)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000662462361 425656899 /nfs/dbraw/zinc/65/68/99/425656899.db2.gz IXSLHYVDOWNEKE-RHSMWYFYSA-N 1 3 303.450 2.326 20 0 DEADHO C[NH2+][C@@H](C)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000662468487 425658878 /nfs/dbraw/zinc/65/88/78/425658878.db2.gz OQCJWDFIAFWQGN-ZOBUZTSGSA-N 1 3 303.450 2.106 20 0 DEADHO CN1CCC[C@@H](CNC(=O)C[C@H]2CC[NH2+]C2)[C@@H]1c1cccs1 ZINC000662474213 425659508 /nfs/dbraw/zinc/65/95/08/425659508.db2.gz UOCLJPSDKIMXLX-JKIFEVAISA-N 1 3 321.490 2.247 20 0 DEADHO C[C@]1(c2cccc(F)c2)CCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662285823 425614160 /nfs/dbraw/zinc/61/41/60/425614160.db2.gz NLSCQBAXYSENKJ-SJORKVTESA-N 1 3 304.409 2.310 20 0 DEADHO CCC[C@H](C)NC(=O)[C@H](C)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290242 425614296 /nfs/dbraw/zinc/61/42/96/425614296.db2.gz BLJVVYPIMGWXEA-ZOBUZTSGSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)CCNC(=O)[C@H](C)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294581 425615715 /nfs/dbraw/zinc/61/57/15/425615715.db2.gz CNDQFUHVFJSHOP-DOTOQJQBSA-N 1 3 309.498 2.249 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@H](C)[C@H]2CCO)cc1 ZINC000662302880 425619606 /nfs/dbraw/zinc/61/96/06/425619606.db2.gz PAUFJSLWCBTHRA-YXJHDRRASA-N 1 3 306.450 2.220 20 0 DEADHO CCOCCN1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662329216 425624338 /nfs/dbraw/zinc/62/43/38/425624338.db2.gz ZXNMWHFVRJWWIJ-UHFFFAOYSA-N 1 3 306.454 2.093 20 0 DEADHO O=C(C[C@H]1NCc2ccccc21)NCCC[NH+]1CCCCC1 ZINC000662356541 425631218 /nfs/dbraw/zinc/63/12/18/425631218.db2.gz PIVOWQPMDKVGNW-QGZVFWFLSA-N 1 3 301.434 2.213 20 0 DEADHO CCCCN1CCC([NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000655703575 425633148 /nfs/dbraw/zinc/63/31/48/425633148.db2.gz ROVIOARBWJQQRD-IBGZPJMESA-N 1 3 323.525 2.484 20 0 DEADHO CC[C@H]1C[C@H](C)CN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665759414 425640543 /nfs/dbraw/zinc/64/05/43/425640543.db2.gz FZZBAWHNNZWSBO-JYJNAYRXSA-N 1 3 312.502 2.088 20 0 DEADHO CC[C@H]1C[C@H](C)CN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665759414 425640546 /nfs/dbraw/zinc/64/05/46/425640546.db2.gz FZZBAWHNNZWSBO-JYJNAYRXSA-N 1 3 312.502 2.088 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662788350 425735227 /nfs/dbraw/zinc/73/52/27/425735227.db2.gz JIBNRFDRQVYABX-QGZVFWFLSA-N 1 3 317.477 2.485 20 0 DEADHO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)C[C@@H](O)CN(C)C(C)C ZINC000660099141 425736113 /nfs/dbraw/zinc/73/61/13/425736113.db2.gz FCIDUFHCKDATLU-ARFHVFGLSA-N 1 3 300.487 2.213 20 0 DEADHO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)C[C@@H](O)CN(C)C(C)C ZINC000660099141 425736114 /nfs/dbraw/zinc/73/61/14/425736114.db2.gz FCIDUFHCKDATLU-ARFHVFGLSA-N 1 3 300.487 2.213 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H](CN)c2ccc(F)cc2)C1 ZINC000662592731 425689179 /nfs/dbraw/zinc/68/91/79/425689179.db2.gz JRBAJHGBFUJNDS-CZUORRHYSA-N 1 3 321.440 2.105 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@H](CN)c2ccc(F)cc2)C1 ZINC000662592731 425689184 /nfs/dbraw/zinc/68/91/84/425689184.db2.gz JRBAJHGBFUJNDS-CZUORRHYSA-N 1 3 321.440 2.105 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc3c(s2)CCNC3)C1 ZINC000662593114 425689600 /nfs/dbraw/zinc/68/96/00/425689600.db2.gz LLMDOZGFHGGMCY-LBPRGKRZSA-N 1 3 321.490 2.244 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cc3c(s2)CCNC3)C1 ZINC000662593114 425689602 /nfs/dbraw/zinc/68/96/02/425689602.db2.gz LLMDOZGFHGGMCY-LBPRGKRZSA-N 1 3 321.490 2.244 20 0 DEADHO [NH3+]C1(CNC(=O)N[C@H]2CCCN3CCCC[C@@H]23)CCCCCC1 ZINC000655961136 425694466 /nfs/dbraw/zinc/69/44/66/425694466.db2.gz IELVPLAWFKWIBG-HOTGVXAUSA-N 1 3 322.497 2.354 20 0 DEADHO CCC[NH2+][C@@H](C)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000662658147 425704767 /nfs/dbraw/zinc/70/47/67/425704767.db2.gz BTQALDQCAXAQAW-FUHWJXTLSA-N 1 3 317.477 2.150 20 0 DEADHO CC(C)[NH+]1CCC(N(C)C(=O)c2cccc3c2CNC3)CC1 ZINC000662672597 425709229 /nfs/dbraw/zinc/70/92/29/425709229.db2.gz CDRHUVSOQJEQLQ-UHFFFAOYSA-N 1 3 301.434 2.235 20 0 DEADHO C[NH+](C)CCOc1ccc(NC(=O)C2(NC3CC3)CCC2)cc1 ZINC000662673391 425709385 /nfs/dbraw/zinc/70/93/85/425709385.db2.gz JSKTULDQQAVQFJ-UHFFFAOYSA-N 1 3 317.433 2.240 20 0 DEADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C[C@H]1NCc2ccccc21 ZINC000662684223 425712953 /nfs/dbraw/zinc/71/29/53/425712953.db2.gz CDWQBRPDYTVNJP-RHSMWYFYSA-N 1 3 301.434 2.021 20 0 DEADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C[C@H]1NCc2ccccc21 ZINC000662684223 425712954 /nfs/dbraw/zinc/71/29/54/425712954.db2.gz CDWQBRPDYTVNJP-RHSMWYFYSA-N 1 3 301.434 2.021 20 0 DEADHO C[C@@H]1CCC[C@@](CNC(=O)C2(N)CC3(CCC3)C2)([NH+](C)C)C1 ZINC000662692226 425714450 /nfs/dbraw/zinc/71/44/50/425714450.db2.gz NAQPFNMSZLPIEG-RHSMWYFYSA-N 1 3 307.482 2.275 20 0 DEADHO O=C(C[C@H]1NCc2ccccc21)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000662698913 425715972 /nfs/dbraw/zinc/71/59/72/425715972.db2.gz UYLIVVPQCCBGLC-FUHWJXTLSA-N 1 3 313.445 2.308 20 0 DEADHO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000662837267 425744853 /nfs/dbraw/zinc/74/48/53/425744853.db2.gz HUDZVVAAFJXGSC-YVSFHVDLSA-N 1 3 307.482 2.417 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cccc(F)c1 ZINC000656540777 425789104 /nfs/dbraw/zinc/78/91/04/425789104.db2.gz RGUASSRUZOHGTN-ZDUSSCGKSA-N 1 3 310.417 2.219 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cccc(F)c1 ZINC000656540777 425789108 /nfs/dbraw/zinc/78/91/08/425789108.db2.gz RGUASSRUZOHGTN-ZDUSSCGKSA-N 1 3 310.417 2.219 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662847009 425749463 /nfs/dbraw/zinc/74/94/63/425749463.db2.gz XJJQYIMXYRRNAU-IAGOWNOFSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)N1CCN(C2CC[NH+](C[C@H]3CCC[C@@H](O)C3)CC2)CC1 ZINC000660151674 425752535 /nfs/dbraw/zinc/75/25/35/425752535.db2.gz VJXHKCVUICTLOB-PKOBYXMFSA-N 1 3 323.525 2.028 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662883425 425757095 /nfs/dbraw/zinc/75/70/95/425757095.db2.gz JUYQONKRZBKWEV-SJORKVTESA-N 1 3 317.433 2.160 20 0 DEADHO C[C@@H]1CCCN(C(=O)c2cccc3c2CCNC3)[C@@H]1CCC[NH3+] ZINC000662893397 425759613 /nfs/dbraw/zinc/75/96/13/425759613.db2.gz ZONCGONBPWHSAH-RDTXWAMCSA-N 1 3 315.461 2.312 20 0 DEADHO COC[C@H](CN1CCN(c2ccnc3ccccc32)CC1)OC ZINC000660531435 425827682 /nfs/dbraw/zinc/82/76/82/425827682.db2.gz SELUEEZGVULLEO-HNNXBMFYSA-N 1 3 315.417 2.018 20 0 DEADHO COC[C@H](C[NH+]1CCN(c2ccnc3ccccc32)CC1)OC ZINC000660531435 425827684 /nfs/dbraw/zinc/82/76/84/425827684.db2.gz SELUEEZGVULLEO-HNNXBMFYSA-N 1 3 315.417 2.018 20 0 DEADHO COC[C@H](CN1CCN(c2cc[nH+]c3ccccc32)CC1)OC ZINC000660531435 425827686 /nfs/dbraw/zinc/82/76/86/425827686.db2.gz SELUEEZGVULLEO-HNNXBMFYSA-N 1 3 315.417 2.018 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)c1ccccc1 ZINC000663402166 425836010 /nfs/dbraw/zinc/83/60/10/425836010.db2.gz IPLNLZGASSKDCD-HOTGVXAUSA-N 1 3 320.481 2.319 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)c1ccccc1 ZINC000663402166 425836012 /nfs/dbraw/zinc/83/60/12/425836012.db2.gz IPLNLZGASSKDCD-HOTGVXAUSA-N 1 3 320.481 2.319 20 0 DEADHO c1cc(CN2CCCOCC2)cc(C[N@@H+]2CCCOCC2)c1 ZINC000374026566 269090874 /nfs/dbraw/zinc/09/08/74/269090874.db2.gz HGFNUZKBDAIXJK-UHFFFAOYSA-N 1 3 304.434 2.131 20 0 DEADHO c1cc(CN2CCCOCC2)cc(C[N@H+]2CCCOCC2)c1 ZINC000374026566 269090877 /nfs/dbraw/zinc/09/08/77/269090877.db2.gz HGFNUZKBDAIXJK-UHFFFAOYSA-N 1 3 304.434 2.131 20 0 DEADHO OC1(C[NH2+][C@H]2CCSC2)CCN(Cc2ccccc2)CC1 ZINC000397498083 269106511 /nfs/dbraw/zinc/10/65/11/269106511.db2.gz SDYYCIFPVGWOQE-INIZCTEOSA-N 1 3 306.475 2.109 20 0 DEADHO CC[C@H](COC)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397498589 269106697 /nfs/dbraw/zinc/10/66/97/269106697.db2.gz SWHGDWZLDDQVKH-QGZVFWFLSA-N 1 3 306.450 2.028 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000398101701 269107933 /nfs/dbraw/zinc/10/79/33/269107933.db2.gz ZLEIDLZBTBBCMV-NJAFHUGGSA-N 1 3 317.477 2.244 20 0 DEADHO CN1CCC[C@H]2C[N@H+](CCCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000496352842 269213345 /nfs/dbraw/zinc/21/33/45/269213345.db2.gz VIYZYKGBRRUWGY-LSDHHAIUSA-N 1 3 311.470 2.317 20 0 DEADHO CN1CCC[C@H]2C[N@@H+](CCCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000496352842 269213347 /nfs/dbraw/zinc/21/33/47/269213347.db2.gz VIYZYKGBRRUWGY-LSDHHAIUSA-N 1 3 311.470 2.317 20 0 DEADHO CN(CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)C(=O)OC(C)(C)C ZINC000496366718 269214741 /nfs/dbraw/zinc/21/47/41/269214741.db2.gz RLZBIOXDINEGBE-ZNMIVQPWSA-N 1 3 311.470 2.316 20 0 DEADHO CN(CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)C(=O)OC(C)(C)C ZINC000496366718 269214742 /nfs/dbraw/zinc/21/47/42/269214742.db2.gz RLZBIOXDINEGBE-ZNMIVQPWSA-N 1 3 311.470 2.316 20 0 DEADHO COC(=O)Nc1ccc(CC[NH2+][C@H]2CCNCC[C@@H]2C)cc1 ZINC000496976369 269272958 /nfs/dbraw/zinc/27/29/58/269272958.db2.gz GKWYNDAHISQFPG-BBRMVZONSA-N 1 3 305.422 2.385 20 0 DEADHO COC(=O)Nc1ccc(CCN[C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000496976369 269272960 /nfs/dbraw/zinc/27/29/60/269272960.db2.gz GKWYNDAHISQFPG-BBRMVZONSA-N 1 3 305.422 2.385 20 0 DEADHO CCOC(=O)N1CCC(N[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000497136463 269290697 /nfs/dbraw/zinc/29/06/97/269290697.db2.gz USTXMBRDANEJMF-PBHICJAKSA-N 1 3 319.449 2.155 20 0 DEADHO C[NH2+]Cc1ccc(NC(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000514720284 269329352 /nfs/dbraw/zinc/32/93/52/269329352.db2.gz WHRZYQGRYWJJSX-INIZCTEOSA-N 1 3 302.422 2.108 20 0 DEADHO C[NH2+][C@@H](C)C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000514799408 269332630 /nfs/dbraw/zinc/33/26/30/269332630.db2.gz URRJAZWGKABKIL-WMLDXEAASA-N 1 3 317.477 2.184 20 0 DEADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)COc1ccccc1 ZINC000516643009 269366872 /nfs/dbraw/zinc/36/68/72/269366872.db2.gz SVSJUDXVDVFTOI-NXWXRZEISA-N 1 3 318.461 2.327 20 0 DEADHO O=C(CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)NC1CCCCC1 ZINC000517356250 269383671 /nfs/dbraw/zinc/38/36/71/269383671.db2.gz SRPLMDXEGXIODL-BRWVUGGUSA-N 1 3 307.482 2.336 20 0 DEADHO N[C@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)C1CCC1 ZINC000517918616 269394789 /nfs/dbraw/zinc/39/47/89/269394789.db2.gz CSIFLLJSNCDGLU-KRWDZBQOSA-N 1 3 301.434 2.391 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000518358367 269398347 /nfs/dbraw/zinc/39/83/47/269398347.db2.gz KJJVKAXZNBBPNN-DLBZAZTESA-N 1 3 303.450 2.137 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000518358367 269398348 /nfs/dbraw/zinc/39/83/48/269398348.db2.gz KJJVKAXZNBBPNN-DLBZAZTESA-N 1 3 303.450 2.137 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCc1nc(-c2ccncc2)cs1 ZINC000519767363 269427068 /nfs/dbraw/zinc/42/70/68/269427068.db2.gz VVNUGUOXJGJSNR-KBPBESRZSA-N 1 3 302.447 2.465 20 0 DEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000519767363 269427069 /nfs/dbraw/zinc/42/70/69/269427069.db2.gz VVNUGUOXJGJSNR-KBPBESRZSA-N 1 3 302.447 2.465 20 0 DEADHO CC[C@H](C)[C@@H](N)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000246513184 287651250 /nfs/dbraw/zinc/65/12/50/287651250.db2.gz QQTUUILIGGMBPE-YESZJQIVSA-N 1 3 309.498 2.474 20 0 DEADHO CC[NH+](CC)CCOCCNCc1cnc2cccc(C)n12 ZINC000350264884 273636436 /nfs/dbraw/zinc/63/64/36/273636436.db2.gz LJHXEOWRJPWFPP-UHFFFAOYSA-N 1 3 304.438 2.091 20 0 DEADHO CC(C)N1CCN(C2CC[NH+](C[C@H]3CC[C@H](C)O3)CC2)CC1 ZINC000373694143 275949691 /nfs/dbraw/zinc/94/96/91/275949691.db2.gz DYSJCFVEIXMBDE-FUHWJXTLSA-N 1 3 309.498 2.044 20 0 DEADHO C[C@@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)CN1 ZINC000272558983 287873200 /nfs/dbraw/zinc/87/32/00/287873200.db2.gz NKIDWTZKGIOTOH-CVEARBPZSA-N 1 3 315.461 2.107 20 0 DEADHO CN(C)C/C=C\C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491909810 276750933 /nfs/dbraw/zinc/75/09/33/276750933.db2.gz XJNQAZBCUVXSQH-PXAMLJHWSA-N 1 3 307.482 2.219 20 0 DEADHO CN1CCC2(CC1)C[C@H]([NH2+]CC1(O)CCC1)c1ccccc1O2 ZINC000378443526 277035713 /nfs/dbraw/zinc/03/57/13/277035713.db2.gz SROOVGBXYCEVMW-INIZCTEOSA-N 1 3 316.445 2.479 20 0 DEADHO CN1CCCN(CCC[NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000128237470 277051650 /nfs/dbraw/zinc/05/16/50/277051650.db2.gz IOBYVKKWGBKXOV-GOSISDBHSA-N 1 3 305.441 2.430 20 0 DEADHO COC(=O)[C@@](C)(CNC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000459494275 277112766 /nfs/dbraw/zinc/11/27/66/277112766.db2.gz JCEKDJJHNOTPCJ-IBGZPJMESA-N 1 3 316.445 2.334 20 0 DEADHO C[N@H+]1C[C@H]2CN(C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC000193616470 277198244 /nfs/dbraw/zinc/19/82/44/277198244.db2.gz BRAFSBVOQASWSD-OAGGEKHMSA-N 1 3 323.481 2.127 20 0 DEADHO C[N@@H+]1C[C@H]2CN(C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC000193616470 277198246 /nfs/dbraw/zinc/19/82/46/277198246.db2.gz BRAFSBVOQASWSD-OAGGEKHMSA-N 1 3 323.481 2.127 20 0 DEADHO C[C@@H](N)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000237466433 277596590 /nfs/dbraw/zinc/59/65/90/277596590.db2.gz ZOFMTGVSGIFNGZ-CQSZACIVSA-N 1 3 311.429 2.379 20 0 DEADHO C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](N)c1ccccc1 ZINC000178815543 278135181 /nfs/dbraw/zinc/13/51/81/278135181.db2.gz QPFIHTHLOVIRLV-DIECFANBSA-N 1 3 303.450 2.264 20 0 DEADHO C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H](N)c1ccccc1 ZINC000178815543 278135183 /nfs/dbraw/zinc/13/51/83/278135183.db2.gz QPFIHTHLOVIRLV-DIECFANBSA-N 1 3 303.450 2.264 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000422982519 278226903 /nfs/dbraw/zinc/22/69/03/278226903.db2.gz QZEDAFWZRHLZAM-GJZGRUSLSA-N 1 3 305.466 2.429 20 0 DEADHO CC(C)(C)[C@H](N)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000164030882 278526689 /nfs/dbraw/zinc/52/66/89/278526689.db2.gz PARVGSVOGUZSKN-HZPDHXFCSA-N 1 3 303.450 2.313 20 0 DEADHO CC[C@H](O)CC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000124316129 288099930 /nfs/dbraw/zinc/09/99/30/288099930.db2.gz NDOLIOWTOQEJSB-SFHVURJKSA-N 1 3 319.493 2.468 20 0 DEADHO CC(C)C[C@H](C)N(C)C(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420323219 279099171 /nfs/dbraw/zinc/09/91/71/279099171.db2.gz FWNPWHJTPFHICJ-YESZJQIVSA-N 1 3 309.498 2.201 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000417586303 279269425 /nfs/dbraw/zinc/26/94/25/279269425.db2.gz QQIMUQISOPJUPT-IAGOWNOFSA-N 1 3 322.497 2.034 20 0 DEADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000433958167 279292553 /nfs/dbraw/zinc/29/25/53/279292553.db2.gz NCNMJIGFAPMTKM-DOTOQJQBSA-N 1 3 322.497 2.034 20 0 DEADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000433958167 279292554 /nfs/dbraw/zinc/29/25/54/279292554.db2.gz NCNMJIGFAPMTKM-DOTOQJQBSA-N 1 3 322.497 2.034 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc(C)c1 ZINC000346619495 279329512 /nfs/dbraw/zinc/32/95/12/279329512.db2.gz JQIVWFOIPMBLFP-SFHVURJKSA-N 1 3 317.477 2.483 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc(C)c1 ZINC000346619495 279329514 /nfs/dbraw/zinc/32/95/14/279329514.db2.gz JQIVWFOIPMBLFP-SFHVURJKSA-N 1 3 317.477 2.483 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)N(C)C1CC1 ZINC000361512020 279343673 /nfs/dbraw/zinc/34/36/73/279343673.db2.gz WOCZWKOCVFRVOJ-CABCVRRESA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)N(C)C1CC1 ZINC000361512020 279343675 /nfs/dbraw/zinc/34/36/75/279343675.db2.gz WOCZWKOCVFRVOJ-CABCVRRESA-N 1 3 307.482 2.240 20 0 DEADHO CCN1CCN(CCCC[NH2+]C2CCC(COC)CC2)CC1 ZINC000449078281 279356475 /nfs/dbraw/zinc/35/64/75/279356475.db2.gz LPYMVKPCSNPKQR-UHFFFAOYSA-N 1 3 311.514 2.199 20 0 DEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCCN(c2ccnn2C)C1 ZINC000423085684 279367788 /nfs/dbraw/zinc/36/77/88/279367788.db2.gz KGVNNWIYTLZAMC-IXDOHACOSA-N 1 3 319.497 2.289 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000358105758 279380052 /nfs/dbraw/zinc/38/00/52/279380052.db2.gz ISUYCXRQXGAHPA-HOCLYGCPSA-N 1 3 310.486 2.031 20 0 DEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000358105758 279380053 /nfs/dbraw/zinc/38/00/53/279380053.db2.gz ISUYCXRQXGAHPA-HOCLYGCPSA-N 1 3 310.486 2.031 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N(C)CCC[NH+]1CCCC1 ZINC000341231841 280248747 /nfs/dbraw/zinc/24/87/47/280248747.db2.gz WLWXDLDBQBCPAO-QGZVFWFLSA-N 1 3 324.513 2.378 20 0 DEADHO CC[C@H]1CCC[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000414207319 288226534 /nfs/dbraw/zinc/22/65/34/288226534.db2.gz ZLNVFLCPPLESMS-ROUUACIJSA-N 1 3 323.525 2.341 20 0 DEADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000423063133 280493423 /nfs/dbraw/zinc/49/34/23/280493423.db2.gz VOORSWBUUKEPPM-GFOYENJGSA-N 1 3 314.429 2.399 20 0 DEADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CCN(C2CCCC2)CC1 ZINC000418639391 281000061 /nfs/dbraw/zinc/00/00/61/281000061.db2.gz MARFLAZRLYJXOV-INIZCTEOSA-N 1 3 322.497 2.034 20 0 DEADHO C[NH+](C)CCCOc1ccc(CNCC2=CCCOC2)cc1 ZINC000127028179 281847333 /nfs/dbraw/zinc/84/73/33/281847333.db2.gz NMXGDEUEEJNFFZ-UHFFFAOYSA-N 1 3 304.434 2.453 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000342763899 288847429 /nfs/dbraw/zinc/84/74/29/288847429.db2.gz FBZKDROMPUALMT-SZMVWBNQSA-N 1 3 315.461 2.328 20 0 DEADHO CN(C)[C@@H]1CCCN(C(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000105128102 289292275 /nfs/dbraw/zinc/29/22/75/289292275.db2.gz NJFNQCYJVHTOEA-QGZVFWFLSA-N 1 3 324.513 2.377 20 0 DEADHO CN(C)[C@@H]1CCCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000105128102 289292279 /nfs/dbraw/zinc/29/22/79/289292279.db2.gz NJFNQCYJVHTOEA-QGZVFWFLSA-N 1 3 324.513 2.377 20 0 DEADHO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000373879756 289293811 /nfs/dbraw/zinc/29/38/11/289293811.db2.gz DPDWUCDCYAKEGO-SJORKVTESA-N 1 3 307.482 2.336 20 0 DEADHO C[C@H]1CCC[C@@H](C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000414488949 290471320 /nfs/dbraw/zinc/47/13/20/290471320.db2.gz VCKVICWUWLBNMT-ZWKOTPCHSA-N 1 3 323.525 2.199 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C1CC[NH+](CCC2CC2)CC1)N(C)C ZINC001423656827 1173470236 /nfs/dbraw/zinc/47/02/36/1173470236.db2.gz PXQAUSZMRMAJEW-RHSMWYFYSA-N 1 3 309.498 2.343 20 0 DEADHO COc1cc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1C ZINC000422787155 294979384 /nfs/dbraw/zinc/97/93/84/294979384.db2.gz RBXLSJPQOBQUDP-FGTMMUONSA-N 1 3 318.461 2.293 20 0 DEADHO COc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2CN)c(OC)c1OC ZINC000422698852 295121255 /nfs/dbraw/zinc/12/12/55/295121255.db2.gz BKFYGUABHLUHAB-HUUCEWRRSA-N 1 3 322.449 2.362 20 0 DEADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CNCCCO2)cc1OC ZINC000423484768 295239724 /nfs/dbraw/zinc/23/97/24/295239724.db2.gz AFEWELUCYICLDT-IJEWVQPXSA-N 1 3 322.449 2.164 20 0 DEADHO COc1ccc([C@H](C)[C@H](C)NC[C@H]2C[NH2+]CCCO2)cc1OC ZINC000423484768 295239725 /nfs/dbraw/zinc/23/97/25/295239725.db2.gz AFEWELUCYICLDT-IJEWVQPXSA-N 1 3 322.449 2.164 20 0 DEADHO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000237842467 295273630 /nfs/dbraw/zinc/27/36/30/295273630.db2.gz WIAOOEHYESWBJC-IAGOWNOFSA-N 1 3 301.434 2.140 20 0 DEADHO N[C@@H](CC1CCCCC1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000423418546 295294594 /nfs/dbraw/zinc/29/45/94/295294594.db2.gz HOEFWHRKLDFYIE-SJORKVTESA-N 1 3 307.482 2.228 20 0 DEADHO C[C@H](C1CC1)N(C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)C1CC1 ZINC000420323684 298249267 /nfs/dbraw/zinc/24/92/67/298249267.db2.gz GSUFORQNFREIBE-OIISXLGYSA-N 1 3 319.493 2.097 20 0 DEADHO [NH3+]CC1(CC(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000423302426 303370378 /nfs/dbraw/zinc/37/03/78/303370378.db2.gz HNHVJCFEWQEPBI-MRXNPFEDSA-N 1 3 301.434 2.069 20 0 DEADHO CCn1nnc(C)c1C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000573413844 326053859 /nfs/dbraw/zinc/05/38/59/326053859.db2.gz AMMVXVCKHDLHQC-UHFFFAOYSA-N 1 3 314.437 2.008 20 0 DEADHO C[C@@H]1CN(Cc2cccc(CN[C@H]3CCC[C@H]([NH3+])C3)c2)CCO1 ZINC000573742303 326087729 /nfs/dbraw/zinc/08/77/29/326087729.db2.gz TYYJUIAGXFRQAL-MNEFBYGVSA-N 1 3 317.477 2.267 20 0 DEADHO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1cccc2c1CCNC2 ZINC000574545239 326165554 /nfs/dbraw/zinc/16/55/54/326165554.db2.gz PQQXMAZNSCQTTF-CYBMUJFWSA-N 1 3 304.438 2.184 20 0 DEADHO COC[C@H](O)CNCc1ccccc1C[NH+]1CCCCCC1 ZINC000574868844 326194898 /nfs/dbraw/zinc/19/48/98/326194898.db2.gz AHVWYMCHERPLFD-GOSISDBHSA-N 1 3 306.450 2.160 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000574906773 326199691 /nfs/dbraw/zinc/19/96/91/326199691.db2.gz KDHFUNTVMZRHHS-ULQDDVLXSA-N 1 3 322.497 2.164 20 0 DEADHO C[C@@H]1CCN(CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000575210228 326229278 /nfs/dbraw/zinc/22/92/78/326229278.db2.gz AAZMPVVBYJRCMQ-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1CCN(CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000575210228 326229280 /nfs/dbraw/zinc/22/92/80/326229280.db2.gz AAZMPVVBYJRCMQ-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000576104515 326269307 /nfs/dbraw/zinc/26/93/07/326269307.db2.gz OHYXFLFNTHNXLD-IRXDYDNUSA-N 1 3 303.450 2.457 20 0 DEADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000584111684 331794952 /nfs/dbraw/zinc/79/49/52/331794952.db2.gz PBNCUQLIJMRLKZ-ZIAGYGMSSA-N 1 3 322.453 2.011 20 0 DEADHO COc1cc2c(cc1C[NH2+]C[C@@H]1CCCN(C)C1)O[C@@H](C)C2 ZINC000378881862 333060231 /nfs/dbraw/zinc/06/02/31/333060231.db2.gz HNAGTGMNHBWOFQ-KBPBESRZSA-N 1 3 304.434 2.450 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388436100 333306229 /nfs/dbraw/zinc/30/62/29/333306229.db2.gz DDFZAFZXEOXQAJ-ROUUACIJSA-N 1 3 317.477 2.340 20 0 DEADHO Cc1cc(NC(=O)CCCC[NH+](C)C)n(C2CCN(C)CC2)n1 ZINC000583180719 337257139 /nfs/dbraw/zinc/25/71/39/337257139.db2.gz SXZDUVQXRVPGRJ-UHFFFAOYSA-N 1 3 321.469 2.129 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000583274760 337300287 /nfs/dbraw/zinc/30/02/87/337300287.db2.gz OMSHICYQLPWZIK-AWEZNQCLSA-N 1 3 304.438 2.387 20 0 DEADHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)COc2cc(C)cc(C)c2)C1 ZINC000584585439 337369257 /nfs/dbraw/zinc/36/92/57/337369257.db2.gz DVDVSIUKZNBZIP-ROUUACIJSA-N 1 3 320.477 2.365 20 0 DEADHO CCCC[N@H+](C)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000583881019 337375940 /nfs/dbraw/zinc/37/59/40/337375940.db2.gz PSWSPILUZVYDMY-MRXNPFEDSA-N 1 3 309.498 2.299 20 0 DEADHO CCCC[N@@H+](C)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000583881019 337375941 /nfs/dbraw/zinc/37/59/41/337375941.db2.gz PSWSPILUZVYDMY-MRXNPFEDSA-N 1 3 309.498 2.299 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CC3)CC2)CCC1 ZINC001376596297 1159586863 /nfs/dbraw/zinc/58/68/63/1159586863.db2.gz CYDKDLRPGLIEOD-WKILWMFISA-N 1 3 307.482 2.145 20 0 DEADHO CC[C@H](CNC(=O)[C@@H](CC)N(C)C)[NH2+]Cc1cc(F)ccc1C ZINC001378261959 1152259825 /nfs/dbraw/zinc/25/98/25/1152259825.db2.gz KMRZEJJVMFMWTN-IAGOWNOFSA-N 1 3 323.456 2.459 20 0 DEADHO CC[C@@H](F)C[NH2+]CC1(NC(=O)CN(C)C2CCC2)CCCC1 ZINC001378355982 1152303721 /nfs/dbraw/zinc/30/37/21/1152303721.db2.gz RBEFGJHSBIPPOK-CQSZACIVSA-N 1 3 313.461 2.237 20 0 DEADHO CC(C)C[NH2+][C@H](CCN(C)C(=O)CN1CC[C@H](C)C1)C(C)C ZINC001378371231 1152307973 /nfs/dbraw/zinc/30/79/73/1152307973.db2.gz AWUYLXLBEPXWHK-DLBZAZTESA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]C/C=C/Cl)CC1)N(C)C ZINC001378449708 1152333209 /nfs/dbraw/zinc/33/32/09/1152333209.db2.gz BAGVCLYCRIZOQU-VIXMMLAKSA-N 1 3 315.889 2.342 20 0 DEADHO CC[C@H](C(=O)NCc1ccc(C[NH2+]CC2CC2)cc1)N(C)C ZINC001378473429 1152342896 /nfs/dbraw/zinc/34/28/96/1152342896.db2.gz ZULVRBYILWIJRB-QGZVFWFLSA-N 1 3 303.450 2.143 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]Cc1ccc(F)cc1 ZINC001378612706 1152394333 /nfs/dbraw/zinc/39/43/33/1152394333.db2.gz XREUOKXABXSTPI-GJZGRUSLSA-N 1 3 321.440 2.009 20 0 DEADHO CC(C)C[NH+]1CCC([C@@H](C)NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001369558395 1149037985 /nfs/dbraw/zinc/03/79/85/1149037985.db2.gz CQLSXTHBBVDSNB-HZPDHXFCSA-N 1 3 309.498 2.201 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C1CC[NH+](CC[C@H](C)F)CC1 ZINC001369568682 1149043388 /nfs/dbraw/zinc/04/33/88/1149043388.db2.gz JWBXWDIBJPUVBP-STQMWFEESA-N 1 3 324.444 2.225 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]Cc2ccns2)CCCC1)N(C)C ZINC001378693236 1152416947 /nfs/dbraw/zinc/41/69/47/1152416947.db2.gz VRLUASSSCKLCQH-CQSZACIVSA-N 1 3 324.494 2.002 20 0 DEADHO CN(C)C1(C(=O)NCC2([NH2+]C/C=C\Cl)CCCC2)CCC1 ZINC001378694809 1152417420 /nfs/dbraw/zinc/41/74/20/1152417420.db2.gz SIDMSCNFUQBDHI-WDZFZDKYSA-N 1 3 313.873 2.242 20 0 DEADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000443062711 533726201 /nfs/dbraw/zinc/72/62/01/533726201.db2.gz VEMZLXJPIIIWMX-KKUMJFAQSA-N 1 3 321.440 2.452 20 0 DEADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H](CN)c1ccccc1 ZINC000430894113 533735027 /nfs/dbraw/zinc/73/50/27/533735027.db2.gz LOKLMXRPVUQCQC-INMHGKMJSA-N 1 3 303.450 2.108 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[N@H+](CC1CC(C)C1)C1CC1)N(C)C ZINC001400011978 1161632809 /nfs/dbraw/zinc/63/28/09/1161632809.db2.gz ZMWJLYPJWXCEOP-DQPZFDDXSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[N@@H+](CC1CC(C)C1)C1CC1)N(C)C ZINC001400011978 1161632812 /nfs/dbraw/zinc/63/28/12/1161632812.db2.gz ZMWJLYPJWXCEOP-DQPZFDDXSA-N 1 3 309.498 2.199 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)CCC)C[C@@H]2C1 ZINC001378778972 1152444345 /nfs/dbraw/zinc/44/43/45/1152444345.db2.gz HTTBEDOABGLXBT-GVDBMIGSSA-N 1 3 309.498 2.345 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)CCC)C[C@@H]2C1 ZINC001378778972 1152444348 /nfs/dbraw/zinc/44/43/48/1152444348.db2.gz HTTBEDOABGLXBT-GVDBMIGSSA-N 1 3 309.498 2.345 20 0 DEADHO COc1cccc([C@H](CN[C@H]2CC[NH2+]CC[C@@H]2C)N(C)C)c1 ZINC000422726123 533781388 /nfs/dbraw/zinc/78/13/88/533781388.db2.gz DCJWZQRXEGWDRG-WBAXXEDZSA-N 1 3 305.466 2.276 20 0 DEADHO COc1ccc(C[C@H](C)CN[C@H]2C[NH2+]CC[C@@H]2C)cc1OC ZINC000423027934 533788786 /nfs/dbraw/zinc/78/87/86/533788786.db2.gz RYPXZXCXLGWYBR-DZKIICNBSA-N 1 3 306.450 2.470 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000428940993 533819463 /nfs/dbraw/zinc/81/94/63/533819463.db2.gz STPHDTKTVIOZGZ-HNNXBMFYSA-N 1 3 322.497 2.034 20 0 DEADHO Cc1ccc(F)c(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCN2C)c1 ZINC001378807819 1152452438 /nfs/dbraw/zinc/45/24/38/1152452438.db2.gz UOEAMWPIUFTYJB-RHSMWYFYSA-N 1 3 321.440 2.165 20 0 DEADHO C[C@H](C[NH3+])CNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000417695120 534040887 /nfs/dbraw/zinc/04/08/87/534040887.db2.gz TYCDZZBAJDXQRG-HUUCEWRRSA-N 1 3 318.465 2.106 20 0 DEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCc1ccc2c(c1)OCCO2 ZINC000422930058 534069831 /nfs/dbraw/zinc/06/98/31/534069831.db2.gz RYWARKXQQBPXQF-ZBFHGGJFSA-N 1 3 304.434 2.368 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccccc1OCCN(C)C ZINC000422817445 534074358 /nfs/dbraw/zinc/07/43/58/534074358.db2.gz DALFOBNRUDGZLQ-NVXWUHKLSA-N 1 3 305.466 2.105 20 0 DEADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCCN1CCCCCC1=O ZINC000422750836 534175617 /nfs/dbraw/zinc/17/56/17/534175617.db2.gz DQGFOVCOYIECJW-FUHWJXTLSA-N 1 3 317.477 2.327 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(C(=O)N(C)C)CCCC1 ZINC000422736024 534350769 /nfs/dbraw/zinc/35/07/69/534350769.db2.gz VNBQALQLYWYSDK-CYBMUJFWSA-N 1 3 318.465 2.148 20 0 DEADHO FC(F)(F)CN1CCC(C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000188505461 534387705 /nfs/dbraw/zinc/38/77/05/534387705.db2.gz KSZOQZYKGKQFIU-HUUCEWRRSA-N 1 3 319.415 2.477 20 0 DEADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccc(F)cc1 ZINC000422759837 534389048 /nfs/dbraw/zinc/38/90/48/534389048.db2.gz LRMVEXIMNGIALM-GDAAHCPNSA-N 1 3 320.452 2.487 20 0 DEADHO COCC[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)C(C)(C)C ZINC000338348916 521972457 /nfs/dbraw/zinc/97/24/57/521972457.db2.gz MQEPYXPJQVSHHJ-KRWDZBQOSA-N 1 3 313.530 2.443 20 0 DEADHO Cc1sccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000294783261 534622383 /nfs/dbraw/zinc/62/23/83/534622383.db2.gz SBFZJMWGRPPPJZ-UHFFFAOYSA-N 1 3 321.490 2.345 20 0 DEADHO C[N@H+](CCC1CCN(C(=O)CN2CCCC2)CC1)CC1CCC1 ZINC001378913914 1152488879 /nfs/dbraw/zinc/48/88/79/1152488879.db2.gz CRLFOEOWHOHHJJ-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO C[N@@H+](CCC1CCN(C(=O)CN2CCCC2)CC1)CC1CCC1 ZINC001378913914 1152488880 /nfs/dbraw/zinc/48/88/80/1152488880.db2.gz CRLFOEOWHOHHJJ-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000423508917 534637882 /nfs/dbraw/zinc/63/78/82/534637882.db2.gz LQJFQJHPOHTJIF-MRXNPFEDSA-N 1 3 305.422 2.260 20 0 DEADHO Cc1cccc(CN2CCCC[C@H]2C(=O)N2CCC([NH3+])CC2)c1 ZINC000364888723 524389597 /nfs/dbraw/zinc/38/95/97/524389597.db2.gz OLDZNIIBMNTWKE-SFHVURJKSA-N 1 3 315.461 2.299 20 0 DEADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2C[C@H](C)NC[C@@H]2C)c1 ZINC000417401509 527841953 /nfs/dbraw/zinc/84/19/53/527841953.db2.gz LMWILCWOTVXBEJ-GJZGRUSLSA-N 1 3 318.465 2.030 20 0 DEADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2C[C@H](C)NC[C@@H]2C)c1 ZINC000417401509 527841957 /nfs/dbraw/zinc/84/19/57/527841957.db2.gz LMWILCWOTVXBEJ-GJZGRUSLSA-N 1 3 318.465 2.030 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418578794 528082245 /nfs/dbraw/zinc/08/22/45/528082245.db2.gz JKKVLNUBPDDVNP-CVEARBPZSA-N 1 3 310.486 2.164 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000294695619 528143702 /nfs/dbraw/zinc/14/37/02/528143702.db2.gz AMZWNGWZERSSNY-KBRIMQKVSA-N 1 3 303.450 2.314 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000295233658 528144448 /nfs/dbraw/zinc/14/44/48/528144448.db2.gz SDQNVQFRRURDJF-LMMKCTJWSA-N 1 3 315.461 2.316 20 0 DEADHO CC1CCC(N2CCN(C(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)CC2)CC1 ZINC000418596723 528193987 /nfs/dbraw/zinc/19/39/87/528193987.db2.gz HFSMBKZKOFAEOR-VUROTCPHSA-N 1 3 322.497 2.033 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)[C@H](C)NC1CC1)c1ccccc1 ZINC000294831336 528277771 /nfs/dbraw/zinc/27/77/71/528277771.db2.gz SGZSEDORPRCFNE-WMLDXEAASA-N 1 3 303.450 2.326 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)NC1CC1)c1ccccc1 ZINC000294831334 528278039 /nfs/dbraw/zinc/27/80/39/528278039.db2.gz SGZSEDORPRCFNE-RHSMWYFYSA-N 1 3 303.450 2.326 20 0 DEADHO CC[NH+](CC)[C@H](CN[C@@H](C1CC1)[C@@H]1CNCCO1)CC(C)C ZINC000422822911 528280279 /nfs/dbraw/zinc/28/02/79/528280279.db2.gz BVBJRWZPOYWIPO-BZSNNMDCSA-N 1 3 311.514 2.100 20 0 DEADHO CCN(CC)[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1)CC(C)C ZINC000422822911 528280284 /nfs/dbraw/zinc/28/02/84/528280284.db2.gz BVBJRWZPOYWIPO-BZSNNMDCSA-N 1 3 311.514 2.100 20 0 DEADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000448031611 528284227 /nfs/dbraw/zinc/28/42/27/528284227.db2.gz RDPPJWASVFKDOJ-JKSUJKDBSA-N 1 3 324.513 2.233 20 0 DEADHO CC[NH2+]CCNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000417739999 528316366 /nfs/dbraw/zinc/31/63/66/528316366.db2.gz RFGFGXDMPDWZTK-UKRRQHHQSA-N 1 3 324.494 2.040 20 0 DEADHO CC(C)[C@@H](CN[C@H](C)C[C@@H]1COCCN1)[NH+]1CCCCCC1 ZINC000422964874 528465483 /nfs/dbraw/zinc/46/54/83/528465483.db2.gz MXOZKWXMOHUADE-KZNAEPCWSA-N 1 3 311.514 2.244 20 0 DEADHO CC(C)[C@@H](C[NH2+][C@H](C)C[C@@H]1COCCN1)N1CCCCCC1 ZINC000422964874 528465486 /nfs/dbraw/zinc/46/54/86/528465486.db2.gz MXOZKWXMOHUADE-KZNAEPCWSA-N 1 3 311.514 2.244 20 0 DEADHO CCOC(=O)C1([C@H](C)NCc2ccccc2F)CC[NH2+]CC1 ZINC000422760406 528611795 /nfs/dbraw/zinc/61/17/95/528611795.db2.gz MCTNPIJCFXSQQN-ZDUSSCGKSA-N 1 3 308.397 2.237 20 0 DEADHO CCCC[C@@H](C[NH3+])NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000418462262 528804747 /nfs/dbraw/zinc/80/47/47/528804747.db2.gz JXWYNLZQPWRJNF-HNNXBMFYSA-N 1 3 312.502 2.267 20 0 DEADHO CCCC[C@@H](C[NH3+])N[C@@H](C)Cn1cc(Br)cn1 ZINC000414811487 528820081 /nfs/dbraw/zinc/82/00/81/528820081.db2.gz JFYUUXZYZJOWPZ-JQWIXIFHSA-N 1 3 303.248 2.141 20 0 DEADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000417577365 528943308 /nfs/dbraw/zinc/94/33/08/528943308.db2.gz JGAJJACGQIYSNN-DOTOQJQBSA-N 1 3 320.481 2.324 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)c1ccco1 ZINC000418159331 529182249 /nfs/dbraw/zinc/18/22/49/529182249.db2.gz CEFJHIXOMUJOFU-GBJTYRQASA-N 1 3 322.453 2.088 20 0 DEADHO CC1CC[NH+](CCCNC(=O)[C@@H](CN)c2ccc(F)cc2)CC1 ZINC000358867659 535279529 /nfs/dbraw/zinc/27/95/29/535279529.db2.gz UGRVEPXQBGNVAX-KRWDZBQOSA-N 1 3 321.440 2.106 20 0 DEADHO CC1CC[NH+](Cc2ccccc2CNC(=O)C2(N)CCC2)CC1 ZINC000449322515 535281622 /nfs/dbraw/zinc/28/16/22/535281622.db2.gz PQPDOCMIBKQNAD-UHFFFAOYSA-N 1 3 315.461 2.416 20 0 DEADHO CC[NH2+]CC1CCN(Cc2cc3c(c(OC)c2)OCO3)CC1 ZINC000262062254 535460111 /nfs/dbraw/zinc/46/01/11/535460111.db2.gz FBQRJLOOOMNCEC-UHFFFAOYSA-N 1 3 306.406 2.245 20 0 DEADHO CCN(C(=O)/C=C/C[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000373421661 535652119 /nfs/dbraw/zinc/65/21/19/535652119.db2.gz JDNMOIHHLYSGEN-VEGGFIAOSA-N 1 3 315.461 2.227 20 0 DEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261926476 535865185 /nfs/dbraw/zinc/86/51/85/535865185.db2.gz ZMJCCVUIKDQRBF-DOTOQJQBSA-N 1 3 321.440 2.233 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000449205830 536023316 /nfs/dbraw/zinc/02/33/16/536023316.db2.gz OEXHUABZZRNELH-ZWKOTPCHSA-N 1 3 315.461 2.210 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000362476110 536042183 /nfs/dbraw/zinc/04/21/83/536042183.db2.gz FWWIIDPLQAUSMO-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO CC(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCN1C(C)C ZINC001379014867 1152532278 /nfs/dbraw/zinc/53/22/78/1152532278.db2.gz OCBWPGWRLNKCAR-IRXDYDNUSA-N 1 3 309.498 2.342 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)CC[NH+](C)C)CCN1Cc1ccsc1 ZINC001368691527 1148580426 /nfs/dbraw/zinc/58/04/26/1148580426.db2.gz JZPRQGNNIFXBCO-UKRRQHHQSA-N 1 3 309.479 2.169 20 0 DEADHO CN(CC(=O)N(C)C1CC[NH+](CCC2CC2)CC1)C1CCC1 ZINC001369749847 1149140748 /nfs/dbraw/zinc/14/07/48/1149140748.db2.gz BPSQAYXYUDAERI-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NCc1nccs1 ZINC001368723647 1148616374 /nfs/dbraw/zinc/61/63/74/1148616374.db2.gz UNOINIUPMJOWPB-KBPBESRZSA-N 1 3 324.494 2.000 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NCc1nccs1 ZINC001368723647 1148616386 /nfs/dbraw/zinc/61/63/86/1148616386.db2.gz UNOINIUPMJOWPB-KBPBESRZSA-N 1 3 324.494 2.000 20 0 DEADHO Cc1nc(CCNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)n[nH]1 ZINC001414134442 1152564364 /nfs/dbraw/zinc/56/43/64/1152564364.db2.gz JQWHNOJUNGLGKM-XJKSGUPXSA-N 1 3 305.470 2.288 20 0 DEADHO Cc1n[nH]c(CCNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)n1 ZINC001414134442 1152564367 /nfs/dbraw/zinc/56/43/67/1152564367.db2.gz JQWHNOJUNGLGKM-XJKSGUPXSA-N 1 3 305.470 2.288 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1 ZINC001379326777 1152609285 /nfs/dbraw/zinc/60/92/85/1152609285.db2.gz JBFRPSUNHFRQSC-FUHWJXTLSA-N 1 3 317.477 2.498 20 0 DEADHO CC[C@H](F)CNC1(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001380152433 1152757938 /nfs/dbraw/zinc/75/79/38/1152757938.db2.gz MNDVEQHKSJCPIT-CABCVRRESA-N 1 3 313.461 2.237 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@H+](CC1CCC1)C2 ZINC001381936454 1153279823 /nfs/dbraw/zinc/27/98/23/1153279823.db2.gz FTHKSGDVUBDXOE-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC001381936454 1153279831 /nfs/dbraw/zinc/27/98/31/1153279831.db2.gz FTHKSGDVUBDXOE-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001008166225 625367220 /nfs/dbraw/zinc/36/72/20/625367220.db2.gz ZELURJKQWQBLGL-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001008166225 625367222 /nfs/dbraw/zinc/36/72/22/625367222.db2.gz ZELURJKQWQBLGL-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CN1CCC[C@@H](C[NH2+][C@@H]2CCOC23CCOCC3)C1 ZINC000925585879 625414098 /nfs/dbraw/zinc/41/40/98/625414098.db2.gz AVDQYZRDVDNLHF-DLBZAZTESA-N 1 3 310.482 2.282 20 0 DEADHO CC[NH2+]C1CCC(NC(=O)c2ccccc2CN(C)C)CC1 ZINC001026610942 625560379 /nfs/dbraw/zinc/56/03/79/625560379.db2.gz YRQLRUVZNSYYSW-UHFFFAOYSA-N 1 3 303.450 2.399 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000969949302 623015744 /nfs/dbraw/zinc/01/57/44/623015744.db2.gz QHNMRLJZEOBLPF-RHSMWYFYSA-N 1 3 319.424 2.001 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CCC3CCCC3)C2)C1 ZINC000969954554 623017216 /nfs/dbraw/zinc/01/72/16/623017216.db2.gz GNPYBKRHCCYCBC-DOTOQJQBSA-N 1 3 307.482 2.099 20 0 DEADHO Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC000969954148 623017616 /nfs/dbraw/zinc/01/76/16/623017616.db2.gz AGVNFXHNVYZFPO-SJLPKXTDSA-N 1 3 315.461 2.027 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CCC3CCCC3)C2)C1 ZINC000969954557 623017753 /nfs/dbraw/zinc/01/77/53/623017753.db2.gz GNPYBKRHCCYCBC-NVXWUHKLSA-N 1 3 307.482 2.099 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2)C1)N(C)C ZINC000969989265 623041374 /nfs/dbraw/zinc/04/13/74/623041374.db2.gz KIXJRDWSTOPCTA-SJORKVTESA-N 1 3 303.450 2.026 20 0 DEADHO Cc1ccccc1CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC000788008605 623239469 /nfs/dbraw/zinc/23/94/69/623239469.db2.gz MZCUBJNQHJPNSF-UHFFFAOYSA-N 1 3 301.478 2.454 20 0 DEADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000179420543 625645425 /nfs/dbraw/zinc/64/54/25/625645425.db2.gz VXJQUFNIEDOPST-GJZGRUSLSA-N 1 3 311.470 2.317 20 0 DEADHO CN1CCC[C@H]1CC[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000179420543 625645431 /nfs/dbraw/zinc/64/54/31/625645431.db2.gz VXJQUFNIEDOPST-GJZGRUSLSA-N 1 3 311.470 2.317 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC ZINC001021274430 623462711 /nfs/dbraw/zinc/46/27/11/623462711.db2.gz XUIYYUKPGQDDAN-NPYXIHBLSA-N 1 3 307.482 2.382 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC ZINC001021274430 623462714 /nfs/dbraw/zinc/46/27/14/623462714.db2.gz XUIYYUKPGQDDAN-NPYXIHBLSA-N 1 3 307.482 2.382 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCCF)C1 ZINC000970528738 623522108 /nfs/dbraw/zinc/52/21/08/623522108.db2.gz JGPFDCNLGGXXLH-ZBFHGGJFSA-N 1 3 313.461 2.045 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CC2)C1 ZINC001024278674 625686284 /nfs/dbraw/zinc/68/62/84/625686284.db2.gz QNNFUSWEEKXFHJ-SJORKVTESA-N 1 3 307.482 2.099 20 0 DEADHO CC[NH2+]C[C@@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001024279112 625686312 /nfs/dbraw/zinc/68/63/12/625686312.db2.gz YFBHMCNUGIMRIH-HNNXBMFYSA-N 1 3 303.450 2.210 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1 ZINC001026726269 625689178 /nfs/dbraw/zinc/68/91/78/625689178.db2.gz UZCDUIGNBOODEL-ROUUACIJSA-N 1 3 315.461 2.027 20 0 DEADHO CN(C)[C@@H](CNC(=O)N(C)[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000891476044 624211536 /nfs/dbraw/zinc/21/15/36/624211536.db2.gz LPYNDBQLVAVFRD-SJORKVTESA-N 1 3 318.465 2.025 20 0 DEADHO CN(C)[C@@H](CNC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000891476044 624211540 /nfs/dbraw/zinc/21/15/40/624211540.db2.gz LPYNDBQLVAVFRD-SJORKVTESA-N 1 3 318.465 2.025 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)CN1C1CC1 ZINC000891658923 624519704 /nfs/dbraw/zinc/51/97/04/624519704.db2.gz BCPXKBQQDASFKI-HBUWYVDXSA-N 1 3 322.497 2.018 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC2CCCC2)C1)N(C)C ZINC000971728875 624524813 /nfs/dbraw/zinc/52/48/13/624524813.db2.gz GNZULBQEBVWFRC-IRXDYDNUSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC2CCCC2)C1)N(C)C ZINC000971728875 624524817 /nfs/dbraw/zinc/52/48/17/624524817.db2.gz GNZULBQEBVWFRC-IRXDYDNUSA-N 1 3 309.498 2.296 20 0 DEADHO CN(C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)[C@@H]1CCCN(C)C1 ZINC000891888098 624646810 /nfs/dbraw/zinc/64/68/10/624646810.db2.gz DAVZNBIKKWKDED-SJORKVTESA-N 1 3 324.513 2.233 20 0 DEADHO CCN(C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C)[C@@H]1CC[NH2+]C1 ZINC000891894768 624649654 /nfs/dbraw/zinc/64/96/54/624649654.db2.gz RZTJXLRKKPDHFQ-OIISXLGYSA-N 1 3 318.465 2.071 20 0 DEADHO CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972334202 624932645 /nfs/dbraw/zinc/93/26/45/624932645.db2.gz FUJPEHGLAKKBKQ-WMLDXEAASA-N 1 3 313.461 2.142 20 0 DEADHO CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972334202 624932647 /nfs/dbraw/zinc/93/26/47/624932647.db2.gz FUJPEHGLAKKBKQ-WMLDXEAASA-N 1 3 313.461 2.142 20 0 DEADHO CC(C)=CCN1CCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001024761288 625042212 /nfs/dbraw/zinc/04/22/12/625042212.db2.gz DZEIFXSNTIHAOB-MRXNPFEDSA-N 1 3 305.466 2.019 20 0 DEADHO CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]12 ZINC001026265886 625239515 /nfs/dbraw/zinc/23/95/15/625239515.db2.gz BCUAVCVUCUGTEE-OWCLPIDISA-N 1 3 307.482 2.097 20 0 DEADHO CN(CC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CCC3CC3)[C@H]2C1)C1CCC1 ZINC001026285016 625262151 /nfs/dbraw/zinc/26/21/51/625262151.db2.gz WXCJWGFGDOCHAW-RYQLBKOJSA-N 1 3 319.493 2.097 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2CC2)C1 ZINC001027694193 634448478 /nfs/dbraw/zinc/44/84/78/634448478.db2.gz TZMMSXYYGKXZTN-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2CC2)C1 ZINC001027694193 634448481 /nfs/dbraw/zinc/44/84/81/634448481.db2.gz TZMMSXYYGKXZTN-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CC[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)c1ccccc1 ZINC001019774783 625831995 /nfs/dbraw/zinc/83/19/95/625831995.db2.gz IEUYUXVYVNIHSQ-ZWKOTPCHSA-N 1 3 315.461 2.424 20 0 DEADHO CC(C)C[NH2+][C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000999150627 634494960 /nfs/dbraw/zinc/49/49/60/634494960.db2.gz BSADRGJPPTVOQX-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCc2ccccc2)C1)N(C)C ZINC001000218975 634798249 /nfs/dbraw/zinc/79/82/49/634798249.db2.gz OCYHAODWDTXXNL-MSOLQXFVSA-N 1 3 317.477 2.150 20 0 DEADHO CN(CC(=O)N1C[C@H]([NH2+]CC2CCC2)C(C)(C)C1)C1CCC1 ZINC000995919517 633140024 /nfs/dbraw/zinc/14/00/24/633140024.db2.gz ROWNRUBVWCZZRI-INIZCTEOSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]CC2CCCC2)C(C)(C)C1)N(C)C ZINC000995947282 633144491 /nfs/dbraw/zinc/14/44/91/633144491.db2.gz JOOPWUZVHDJNLT-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CC1CCCCC1 ZINC000996354426 633246204 /nfs/dbraw/zinc/24/62/04/633246204.db2.gz HLMZBRRMCJXYDX-MRXNPFEDSA-N 1 3 318.465 2.359 20 0 DEADHO CC[NH2+][C@@H]1CN(C(=O)c2ccccc2CN(C)C)CC1(C)C ZINC000996669481 633344012 /nfs/dbraw/zinc/34/40/12/633344012.db2.gz GDXFLNAVPCQLES-MRXNPFEDSA-N 1 3 303.450 2.208 20 0 DEADHO CC[C@H](C(=O)N1CCC([NH2+]CC2=CCCCC2)CC1)N(C)C ZINC000996711800 633365634 /nfs/dbraw/zinc/36/56/34/633365634.db2.gz LDFYEEJYJHCQLV-QGZVFWFLSA-N 1 3 307.482 2.408 20 0 DEADHO CCN1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000975067246 633405698 /nfs/dbraw/zinc/40/56/98/633405698.db2.gz WYCVKRCOERMGQE-QGZVFWFLSA-N 1 3 317.477 2.251 20 0 DEADHO CC[C@@H](C(=O)N1CCC([NH2+]CC2CCCCC2)CC1)N(C)C ZINC000997014845 633561846 /nfs/dbraw/zinc/56/18/46/633561846.db2.gz LSGOYDRAOUAPEI-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CC1CC(C[N@H+](C)[C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001027440987 633790842 /nfs/dbraw/zinc/79/08/42/633790842.db2.gz OUTWBSZUHGQSLF-JCYILVPMSA-N 1 3 321.509 2.440 20 0 DEADHO CC1CC(C[N@@H+](C)[C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001027440987 633790845 /nfs/dbraw/zinc/79/08/45/633790845.db2.gz OUTWBSZUHGQSLF-JCYILVPMSA-N 1 3 321.509 2.440 20 0 DEADHO CC[NH2+]CC1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000998080903 634133057 /nfs/dbraw/zinc/13/30/57/634133057.db2.gz FMIYVROUHZANRN-QGZVFWFLSA-N 1 3 313.461 2.047 20 0 DEADHO CC1CC(C[NH2+]CC2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC000998082025 634136051 /nfs/dbraw/zinc/13/60/51/634136051.db2.gz NCAAUEUSUMTDMM-UPTPFMHGSA-N 1 3 321.509 2.345 20 0 DEADHO CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027577392 634185888 /nfs/dbraw/zinc/18/58/88/634185888.db2.gz LESWNOWDIIZWMN-RHSMWYFYSA-N 1 3 313.461 2.142 20 0 DEADHO CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027577392 634185892 /nfs/dbraw/zinc/18/58/92/634185892.db2.gz LESWNOWDIIZWMN-RHSMWYFYSA-N 1 3 313.461 2.142 20 0 DEADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]CCC2CCCC2)C1 ZINC000998536346 634318410 /nfs/dbraw/zinc/31/84/10/634318410.db2.gz RZUMRYQYNFAWJZ-JCYILVPMSA-N 1 3 307.482 2.240 20 0 DEADHO CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C[C@@H]2C1 ZINC000980173744 634879277 /nfs/dbraw/zinc/87/92/77/634879277.db2.gz SRYGNVAZJVUZRF-BBWFWOEESA-N 1 3 321.509 2.488 20 0 DEADHO CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C[C@@H]2C1 ZINC000980173744 634879281 /nfs/dbraw/zinc/87/92/81/634879281.db2.gz SRYGNVAZJVUZRF-BBWFWOEESA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)CC1(C[NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)CCCC1 ZINC000893589194 634888242 /nfs/dbraw/zinc/88/82/42/634888242.db2.gz ZNANICNDYFFGGV-HUUCEWRRSA-N 1 3 314.445 2.332 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3nc[nH]c3C)C[C@@H]2C1 ZINC000980229124 634906258 /nfs/dbraw/zinc/90/62/58/634906258.db2.gz IQHFPNHYYWAKCA-ARFHVFGLSA-N 1 3 318.465 2.277 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3nc[nH]c3C)C[C@@H]2C1 ZINC000980229124 634906261 /nfs/dbraw/zinc/90/62/61/634906261.db2.gz IQHFPNHYYWAKCA-ARFHVFGLSA-N 1 3 318.465 2.277 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC(C)C ZINC001027918816 634965235 /nfs/dbraw/zinc/96/52/35/634965235.db2.gz QINOHSVTKACGRG-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC(C)C ZINC001027918816 634965240 /nfs/dbraw/zinc/96/52/40/634965240.db2.gz QINOHSVTKACGRG-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCC1 ZINC001027919410 634966124 /nfs/dbraw/zinc/96/61/24/634966124.db2.gz VWKHMCISOQSFCC-DLBZAZTESA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCC1 ZINC001027919410 634966127 /nfs/dbraw/zinc/96/61/27/634966127.db2.gz VWKHMCISOQSFCC-DLBZAZTESA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CC1 ZINC001027986163 635170175 /nfs/dbraw/zinc/17/01/75/635170175.db2.gz SWLHRSLKYKAJOC-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CC1 ZINC001027986163 635170177 /nfs/dbraw/zinc/17/01/77/635170177.db2.gz SWLHRSLKYKAJOC-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCN(CC[C@H](C)F)CC1 ZINC000981283187 635421554 /nfs/dbraw/zinc/42/15/54/635421554.db2.gz ONJJVOMSFJWQIY-JKSUJKDBSA-N 1 3 313.461 2.143 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCN(CC[C@H](C)F)CC1 ZINC000981283187 635421558 /nfs/dbraw/zinc/42/15/58/635421558.db2.gz ONJJVOMSFJWQIY-JKSUJKDBSA-N 1 3 313.461 2.143 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1=CC[N@H+](CC2CC2)CC1 ZINC001001229565 635430897 /nfs/dbraw/zinc/43/08/97/635430897.db2.gz LMOFOVVRMXHEND-GOSISDBHSA-N 1 3 319.493 2.408 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1=CC[N@@H+](CC2CC2)CC1 ZINC001001229565 635430902 /nfs/dbraw/zinc/43/09/02/635430902.db2.gz LMOFOVVRMXHEND-GOSISDBHSA-N 1 3 319.493 2.408 20 0 DEADHO C[C@H](F)CCN1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000981369092 635456072 /nfs/dbraw/zinc/45/60/72/635456072.db2.gz APDYYJBUSIOGBZ-JKSUJKDBSA-N 1 3 313.461 2.143 20 0 DEADHO C[C@H](F)CCN1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000981369092 635456076 /nfs/dbraw/zinc/45/60/76/635456076.db2.gz APDYYJBUSIOGBZ-JKSUJKDBSA-N 1 3 313.461 2.143 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CCC[N@H+](CCC1CC1)C2)N(C)C ZINC000981841649 635688128 /nfs/dbraw/zinc/68/81/28/635688128.db2.gz IPVGCAOOLUDQTL-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CCC[N@@H+](CCC1CC1)C2)N(C)C ZINC000981841649 635688131 /nfs/dbraw/zinc/68/81/31/635688131.db2.gz IPVGCAOOLUDQTL-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CCCN1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000981957029 635764513 /nfs/dbraw/zinc/76/45/13/635764513.db2.gz CLVDZXCSJKGFDX-KRWDZBQOSA-N 1 3 313.461 2.143 20 0 DEADHO CCCN1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000981957029 635764514 /nfs/dbraw/zinc/76/45/14/635764514.db2.gz CLVDZXCSJKGFDX-KRWDZBQOSA-N 1 3 313.461 2.143 20 0 DEADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCCN(CC2=CCCCC2)CC1 ZINC000981960424 635769692 /nfs/dbraw/zinc/76/96/92/635769692.db2.gz VNBKNLBGIZFEER-WMZOPIPTSA-N 1 3 319.493 2.219 20 0 DEADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCCN(CC2=CCCCC2)CC1 ZINC000981960424 635769694 /nfs/dbraw/zinc/76/96/94/635769694.db2.gz VNBKNLBGIZFEER-WMZOPIPTSA-N 1 3 319.493 2.219 20 0 DEADHO CC(C)C[N@@H+]1CCCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC000982011876 635809047 /nfs/dbraw/zinc/80/90/47/635809047.db2.gz LVINOQHODBNFKQ-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)C[N@H+]1CCCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC000982011876 635809054 /nfs/dbraw/zinc/80/90/54/635809054.db2.gz LVINOQHODBNFKQ-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC1CC[NH+](CCC(C)C)CC1 ZINC001002956601 635860062 /nfs/dbraw/zinc/86/00/62/635860062.db2.gz WSNHXZAMXCJGIB-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)N1C[C@]2(C)C[N@H+](CC3CCC3)C[C@]2(C)C1)N(C)C ZINC000982306581 635960234 /nfs/dbraw/zinc/96/02/34/635960234.db2.gz UJPHASYDRKPDCG-QRQLOZEOSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@H](C(=O)N1C[C@]2(C)C[N@@H+](CC3CCC3)C[C@]2(C)C1)N(C)C ZINC000982306581 635960236 /nfs/dbraw/zinc/96/02/36/635960236.db2.gz UJPHASYDRKPDCG-QRQLOZEOSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@H]1CCN(CC(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001003629019 636007746 /nfs/dbraw/zinc/00/77/46/636007746.db2.gz WXCQHWYOUYQFFX-INIZCTEOSA-N 1 3 321.509 2.489 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1CC[NH+](CCCC2CCC2)CC1 ZINC001004053695 636135346 /nfs/dbraw/zinc/13/53/46/636135346.db2.gz PDZRDVKIMNREEM-UHFFFAOYSA-N 1 3 318.465 2.422 20 0 DEADHO CCc1ccc(CN[C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)o1 ZINC000922388600 636142210 /nfs/dbraw/zinc/14/22/10/636142210.db2.gz RKBHPYXCWXVVMV-BRSBDYLESA-N 1 3 306.450 2.411 20 0 DEADHO CCc1ccc(CN[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)o1 ZINC000922388600 636142213 /nfs/dbraw/zinc/14/22/13/636142213.db2.gz RKBHPYXCWXVVMV-BRSBDYLESA-N 1 3 306.450 2.411 20 0 DEADHO COc1ccccc1CN[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922390154 636152762 /nfs/dbraw/zinc/15/27/62/636152762.db2.gz XTGKHNJUKFOOFB-RWQQGDIJSA-N 1 3 318.461 2.265 20 0 DEADHO COc1ccccc1CN[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922390154 636152766 /nfs/dbraw/zinc/15/27/66/636152766.db2.gz XTGKHNJUKFOOFB-RWQQGDIJSA-N 1 3 318.461 2.265 20 0 DEADHO Cc1cc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)sn1 ZINC000922391663 636153775 /nfs/dbraw/zinc/15/37/75/636153775.db2.gz XYASLAUIJUAEIM-FPCVCCKLSA-N 1 3 309.479 2.021 20 0 DEADHO Cc1cc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)sn1 ZINC000922391663 636153780 /nfs/dbraw/zinc/15/37/80/636153780.db2.gz XYASLAUIJUAEIM-FPCVCCKLSA-N 1 3 309.479 2.021 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3ccns3)C2)[C@H]1C(C)C ZINC000922392077 636153909 /nfs/dbraw/zinc/15/39/09/636153909.db2.gz CSGVPKKNCQVBRV-KLHDSHLOSA-N 1 3 309.479 2.103 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3ccns3)C2)[C@H]1C(C)C ZINC000922392077 636153912 /nfs/dbraw/zinc/15/39/12/636153912.db2.gz CSGVPKKNCQVBRV-KLHDSHLOSA-N 1 3 309.479 2.103 20 0 DEADHO CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982553698 636261989 /nfs/dbraw/zinc/26/19/89/636261989.db2.gz PANALZLGGCUMED-YTQUADARSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982553698 636261991 /nfs/dbraw/zinc/26/19/91/636261991.db2.gz PANALZLGGCUMED-YTQUADARSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN(C/C=C\Cl)C1 ZINC001028537558 636329569 /nfs/dbraw/zinc/32/95/69/636329569.db2.gz NIYYMLVSXZXESE-FEGLDZKKSA-N 1 3 313.873 2.050 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN(C/C=C\Cl)C1 ZINC001028537558 636329572 /nfs/dbraw/zinc/32/95/72/636329572.db2.gz NIYYMLVSXZXESE-FEGLDZKKSA-N 1 3 313.873 2.050 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001028537187 636329738 /nfs/dbraw/zinc/32/97/38/636329738.db2.gz JBRDMAFBBXPVPX-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001028537187 636329741 /nfs/dbraw/zinc/32/97/41/636329741.db2.gz JBRDMAFBBXPVPX-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001028579769 636372647 /nfs/dbraw/zinc/37/26/47/636372647.db2.gz IKTRRCFRRGXNKO-IRXDYDNUSA-N 1 3 307.482 2.099 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001028579769 636372651 /nfs/dbraw/zinc/37/26/51/636372651.db2.gz IKTRRCFRRGXNKO-IRXDYDNUSA-N 1 3 307.482 2.099 20 0 DEADHO CN(C)c1nccc(CNC2CCC(C)([NH+]3CCC3)CC2)n1 ZINC000922846395 636438399 /nfs/dbraw/zinc/43/83/99/636438399.db2.gz ZOAKRMMBRKJVER-UHFFFAOYSA-N 1 3 303.454 2.039 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001004474472 636464395 /nfs/dbraw/zinc/46/43/95/636464395.db2.gz OSHQWDHAXCZCFH-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001004474472 636464396 /nfs/dbraw/zinc/46/43/96/636464396.db2.gz OSHQWDHAXCZCFH-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CCN(C(=O)CN(C)C3CCC3)CC[C@@H]2C1 ZINC000946623584 636475075 /nfs/dbraw/zinc/47/50/75/636475075.db2.gz MSTKSBGVEJQADT-CALCHBBNSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)C3CCC3)CC[C@@H]2C1 ZINC000946623584 636475077 /nfs/dbraw/zinc/47/50/77/636475077.db2.gz MSTKSBGVEJQADT-CALCHBBNSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]([NH2+]CC1CCC1)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001004942821 636614911 /nfs/dbraw/zinc/61/49/11/636614911.db2.gz BDHMMOCLOPYJMA-CJNGLKHVSA-N 1 3 304.438 2.112 20 0 DEADHO CN(Cc1ccc(OC(F)F)cc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923298642 637098748 /nfs/dbraw/zinc/09/87/48/637098748.db2.gz YADPGANPNRKRNS-AWEZNQCLSA-N 1 3 312.360 2.098 20 0 DEADHO c1csc(CN(C[C@H]2CCCO2)C[C@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923302727 637101725 /nfs/dbraw/zinc/10/17/25/637101725.db2.gz VHGRLUTZLAYLCW-HUUCEWRRSA-N 1 3 322.474 2.108 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCN(C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000923331627 637124732 /nfs/dbraw/zinc/12/47/32/637124732.db2.gz NHFOQGQLFSZPJX-UBHSHLNASA-N 1 3 316.367 2.278 20 0 DEADHO COC(=O)c1cncc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000923358270 637132707 /nfs/dbraw/zinc/13/27/07/637132707.db2.gz GMMAPZWSOJAUCF-HZPDHXFCSA-N 1 3 317.433 2.080 20 0 DEADHO C[C@]1(C[NH3+])CCN(C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000923355091 637134923 /nfs/dbraw/zinc/13/49/23/637134923.db2.gz GRFXCQOWOMTQNJ-HUUCEWRRSA-N 1 3 316.367 2.280 20 0 DEADHO Cc1cccc(OC[C@H](O)CN[C@H](C[NH3+])C2CCCCC2)c1 ZINC000923372040 637142490 /nfs/dbraw/zinc/14/24/90/637142490.db2.gz FCUANURAXMQAEW-SJLPKXTDSA-N 1 3 306.450 2.232 20 0 DEADHO C[C@@H]1CN(C[C@@H](O)COc2cccc3ccccc32)C[C@@H]1C[NH3+] ZINC000923412398 637166810 /nfs/dbraw/zinc/16/68/10/637166810.db2.gz VKLHATOTENTNDX-HYVNUMGLSA-N 1 3 314.429 2.106 20 0 DEADHO Cc1ccc(N2CCC[C@H](N3CC[C@H](C[NH3+])[C@H](C)C3)C2=O)cc1 ZINC000923497439 637214272 /nfs/dbraw/zinc/21/42/72/637214272.db2.gz LQGSWHFWGVNWII-NUJGCVRESA-N 1 3 315.461 2.407 20 0 DEADHO Cc1ccc([C@H](C)NC(=O)CN2CC[C@H](C[NH3+])[C@H](C)C2)cc1C ZINC000923503426 637215485 /nfs/dbraw/zinc/21/54/85/637215485.db2.gz IBNFAOUQBQLZAQ-SOLBZPMBSA-N 1 3 317.477 2.397 20 0 DEADHO CCOC(=O)C1(C(F)(F)F)CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000923524502 637229715 /nfs/dbraw/zinc/22/97/15/637229715.db2.gz GNFILTCRVXBINM-LBPRGKRZSA-N 1 3 322.371 2.194 20 0 DEADHO C[C@@H]([NH2+]CC1CCC1)C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001029144014 637274655 /nfs/dbraw/zinc/27/46/55/637274655.db2.gz AMUDGWMPEKEJTJ-HZPDHXFCSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]([NH2+][C@H]1C(=O)NCC1(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000895324637 637931050 /nfs/dbraw/zinc/93/10/50/637931050.db2.gz QXQBJLHSTQJOIZ-XIRDDKMYSA-N 1 3 315.461 2.011 20 0 DEADHO Cn1nc(C(F)(F)F)c(CNCC[C@@H]2CC[NH2+]C2)c1Cl ZINC000841036816 650411000 /nfs/dbraw/zinc/41/10/00/650411000.db2.gz PKEHQCXFHNYBIO-QMMMGPOBSA-N 1 3 310.751 2.182 20 0 DEADHO COc1ccc([C@@H](NC(C)C)C(=O)NCC[N@H+](C)C(C)C)cc1 ZINC000896071785 638340759 /nfs/dbraw/zinc/34/07/59/638340759.db2.gz AHPMZTXQJLKTIW-QGZVFWFLSA-N 1 3 321.465 2.191 20 0 DEADHO COc1ccc([C@@H](NC(C)C)C(=O)NCC[N@@H+](C)C(C)C)cc1 ZINC000896071785 638340765 /nfs/dbraw/zinc/34/07/65/638340765.db2.gz AHPMZTXQJLKTIW-QGZVFWFLSA-N 1 3 321.465 2.191 20 0 DEADHO CC1CC(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000984811709 638694956 /nfs/dbraw/zinc/69/49/56/638694956.db2.gz AACIDHPCMQABHX-GWEOLNPGSA-N 1 3 321.509 2.249 20 0 DEADHO O=C([C@H]1CCC[C@H]2CCC[N@@H+]21)N1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001029510229 639012087 /nfs/dbraw/zinc/01/20/87/639012087.db2.gz RGLVFKMFNJRWJK-WNRNVDISSA-N 1 3 317.477 2.089 20 0 DEADHO O=C([C@H]1CCC[C@H]2CCC[N@H+]21)N1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001029510229 639012092 /nfs/dbraw/zinc/01/20/92/639012092.db2.gz RGLVFKMFNJRWJK-WNRNVDISSA-N 1 3 317.477 2.089 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2ccsc2)C1)N(C)C ZINC001029843376 639539989 /nfs/dbraw/zinc/53/99/89/639539989.db2.gz ITAJEIGBAOARRU-ZBFHGGJFSA-N 1 3 323.506 2.369 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccsc2)C1)N(C)C ZINC001029843376 639539993 /nfs/dbraw/zinc/53/99/93/639539993.db2.gz ITAJEIGBAOARRU-ZBFHGGJFSA-N 1 3 323.506 2.369 20 0 DEADHO CN(CCF)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000985702435 639591246 /nfs/dbraw/zinc/59/12/46/639591246.db2.gz RAWLJVKYHNXKGD-UHFFFAOYSA-N 1 3 321.440 2.254 20 0 DEADHO CC1CC(C[N@H+](C)CC2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001029947339 639921306 /nfs/dbraw/zinc/92/13/06/639921306.db2.gz NKRFHHGCBSREHH-VMWRSERWSA-N 1 3 321.509 2.297 20 0 DEADHO CC1CC(C[N@@H+](C)CC2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001029947339 639921309 /nfs/dbraw/zinc/92/13/09/639921309.db2.gz NKRFHHGCBSREHH-VMWRSERWSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987065181 640071769 /nfs/dbraw/zinc/07/17/69/640071769.db2.gz IBSCQZJSQLDJAS-YOEHRIQHSA-N 1 3 316.449 2.422 20 0 DEADHO CC(C)(C)OC(=O)NC1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000897423896 640093584 /nfs/dbraw/zinc/09/35/84/640093584.db2.gz SFJUXENHTWPSIR-KBPBESRZSA-N 1 3 309.454 2.260 20 0 DEADHO CC(C)(C)OC(=O)NC1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000897423896 640093588 /nfs/dbraw/zinc/09/35/88/640093588.db2.gz SFJUXENHTWPSIR-KBPBESRZSA-N 1 3 309.454 2.260 20 0 DEADHO C[C@H]1C[C@H]([NH2+]Cc2ccsc2)CN1C(=O)CN(C)C1CCC1 ZINC000988955443 640695790 /nfs/dbraw/zinc/69/57/90/640695790.db2.gz KAOOJPCPINXXCJ-ZFWWWQNUSA-N 1 3 321.490 2.311 20 0 DEADHO C[C@@H](F)CCN1CCCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000989734816 641210469 /nfs/dbraw/zinc/21/04/69/641210469.db2.gz FNXUURWXILZKOG-MRXNPFEDSA-N 1 3 313.461 2.145 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]CC2=CCCCC2)CC1 ZINC000990276326 641429958 /nfs/dbraw/zinc/42/99/58/641429958.db2.gz HBYCTQUJENYBNS-QGZVFWFLSA-N 1 3 305.466 2.162 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]CC2CCCCC2)CC1 ZINC000990277480 641430071 /nfs/dbraw/zinc/43/00/71/641430071.db2.gz OQPFXSBBOPICDY-KRWDZBQOSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)CCN1 ZINC000841060996 641504416 /nfs/dbraw/zinc/50/44/16/641504416.db2.gz CYUKVLHGZZOSGH-WBVHZDCISA-N 1 3 316.493 2.452 20 0 DEADHO O=C(NCC[NH+]1CCCC1)c1ccc(NC2=NCCC2)cc1 ZINC000900011237 642236463 /nfs/dbraw/zinc/23/64/63/642236463.db2.gz OZEHPXLXMSHAEI-UHFFFAOYSA-N 1 3 300.406 2.116 20 0 DEADHO CN(C(=O)c1ccc(NC2=NCCC2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000900830027 642484878 /nfs/dbraw/zinc/48/48/78/642484878.db2.gz MGIKCLCFOJITSA-MRXNPFEDSA-N 1 3 314.433 2.457 20 0 DEADHO CN(C(=O)c1ccc(NC2=NCCC2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000900830027 642484879 /nfs/dbraw/zinc/48/48/79/642484879.db2.gz MGIKCLCFOJITSA-MRXNPFEDSA-N 1 3 314.433 2.457 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000901362124 642638314 /nfs/dbraw/zinc/63/83/14/642638314.db2.gz SGHASCZIEBSLIM-NJAFHUGGSA-N 1 3 317.477 2.353 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000901362124 642638317 /nfs/dbraw/zinc/63/83/17/642638317.db2.gz SGHASCZIEBSLIM-NJAFHUGGSA-N 1 3 317.477 2.353 20 0 DEADHO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000783252943 642987642 /nfs/dbraw/zinc/98/76/42/642987642.db2.gz WZACSJJSWOYKSP-QAPCUYQASA-N 1 3 315.461 2.400 20 0 DEADHO CNc1ccccc1C[NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000902338803 643000138 /nfs/dbraw/zinc/00/01/38/643000138.db2.gz XYHHWIYCOBVQOV-MSOLQXFVSA-N 1 3 303.450 2.196 20 0 DEADHO CC1(C)C[NH2+]CC[C@@H](N[C@@H]2CCN(c3ncccc3F)C2)C1 ZINC000902345870 643002889 /nfs/dbraw/zinc/00/28/89/643002889.db2.gz MVEUESLCIWJRPL-ZIAGYGMSSA-N 1 3 306.429 2.167 20 0 DEADHO CC1(C)C[NH2+]CC[C@H](N[C@@H](CO)Cc2c[nH]c3ccccc23)C1 ZINC000902358773 643018475 /nfs/dbraw/zinc/01/84/75/643018475.db2.gz DBQYXTFUNYZUNS-JKSUJKDBSA-N 1 3 315.461 2.439 20 0 DEADHO CC1(C)C[NH2+]CC[C@@H](NCc2cccc(N3CCOCC3)c2)C1 ZINC000902389786 643027102 /nfs/dbraw/zinc/02/71/02/643027102.db2.gz YMRMMBSHTOXNML-QGZVFWFLSA-N 1 3 317.477 2.391 20 0 DEADHO COc1ccc([C@H](CO)CN[C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000902391561 643027927 /nfs/dbraw/zinc/02/79/27/643027927.db2.gz YLOBYNWNRPACCM-JKSUJKDBSA-N 1 3 306.450 2.139 20 0 DEADHO CC1(C)C[NH2+]CC[C@@H](NCCn2ccc(C(F)(F)F)n2)C1 ZINC000902402696 643030633 /nfs/dbraw/zinc/03/06/33/643030633.db2.gz BMTSPKNIQARRMT-LLVKDONJSA-N 1 3 304.360 2.270 20 0 DEADHO Cc1cc(OCC(=O)NC2CC[NH+](C(C)C)CC2)c(C)c(C)n1 ZINC000902418651 643033660 /nfs/dbraw/zinc/03/36/60/643033660.db2.gz QHGKFETYNPRGJJ-UHFFFAOYSA-N 1 3 319.449 2.375 20 0 DEADHO CCN1CC[C@H](C[NH2+][C@@H](C)C2(NC(=O)OC(C)(C)C)CC2)C1 ZINC000903073742 643247941 /nfs/dbraw/zinc/24/79/41/643247941.db2.gz QCRGPCFMTCBHMQ-UONOGXRCSA-N 1 3 311.470 2.364 20 0 DEADHO C1CC1[N@H+]1[C@@H]2CC[C@H]1CC(N[C@@H]1CCCN3CCSC[C@H]13)C2 ZINC000903224350 643295725 /nfs/dbraw/zinc/29/57/25/643295725.db2.gz UWNVXQHQSYNRJM-MOUFXGFKSA-N 1 3 321.534 2.314 20 0 DEADHO C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC(N[C@@H]1CCCN3CCSC[C@H]13)C2 ZINC000903224350 643295730 /nfs/dbraw/zinc/29/57/30/643295730.db2.gz UWNVXQHQSYNRJM-MOUFXGFKSA-N 1 3 321.534 2.314 20 0 DEADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC3CC(CC(N)=O)C3)CC2)C1 ZINC000903261718 643303719 /nfs/dbraw/zinc/30/37/19/643303719.db2.gz VYNLZOOPUADBKG-RKHAHWSXSA-N 1 3 307.482 2.273 20 0 DEADHO C[C@@H]1C[C@@H]1c1noc(CC2CCN(C[C@@H]3C[NH2+]C[C@H]3C)CC2)n1 ZINC000903460785 643352954 /nfs/dbraw/zinc/35/29/54/643352954.db2.gz HZZXVTKNOGZLTD-VDERGJSUSA-N 1 3 318.465 2.303 20 0 DEADHO NCc1cn([C@H]2CCC[N@H+](Cc3ccccc3CF)C2)nn1 ZINC000903759592 643451896 /nfs/dbraw/zinc/45/18/96/643451896.db2.gz AXEIVBKQJBTRRT-INIZCTEOSA-N 1 3 303.385 2.043 20 0 DEADHO NCc1cn([C@H]2CCC[N@@H+](Cc3ccccc3CF)C2)nn1 ZINC000903759592 643451901 /nfs/dbraw/zinc/45/19/01/643451901.db2.gz AXEIVBKQJBTRRT-INIZCTEOSA-N 1 3 303.385 2.043 20 0 DEADHO COc1ccccc1C1(NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903764644 643453332 /nfs/dbraw/zinc/45/33/32/643453332.db2.gz URUWCCCJHMLILE-HNNXBMFYSA-N 1 3 316.445 2.433 20 0 DEADHO Cc1cncc([C@@H]2CCCN2C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)c1 ZINC000903781097 643460244 /nfs/dbraw/zinc/46/02/44/643460244.db2.gz NSMHFEWNUHUMRS-BZSNNMDCSA-N 1 3 301.434 2.296 20 0 DEADHO C[C@H]1CCC[C@H](C)N1C(=O)CN1CCC(C(C)(C)C[NH3+])CC1 ZINC000903788605 643463844 /nfs/dbraw/zinc/46/38/44/643463844.db2.gz BDMVDPHHEDRKIV-GJZGRUSLSA-N 1 3 309.498 2.473 20 0 DEADHO C(CN1CCOC[C@@H]1C[C@@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903827865 643474050 /nfs/dbraw/zinc/47/40/50/643474050.db2.gz YZUSNWHHPWUCKQ-KKGYMGPXSA-N 1 3 308.466 2.177 20 0 DEADHO Cc1c(C[C@@H](C[NH3+])CN(C)Cc2ccc(C)cc2)cnn1C ZINC000903873562 643492848 /nfs/dbraw/zinc/49/28/48/643492848.db2.gz SKSRBZJDMDYNDG-KRWDZBQOSA-N 1 3 300.450 2.286 20 0 DEADHO c1cc([C@H]2CNCCO2)ccc1NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903933678 643514203 /nfs/dbraw/zinc/51/42/03/643514203.db2.gz VDJBWMZRWZPKPY-FXANMCRTSA-N 1 3 301.434 2.290 20 0 DEADHO CCOc1cc(C[NH2+]C[C@@H]2CNCCC2(F)F)ccc1OC ZINC000903954091 643528171 /nfs/dbraw/zinc/52/81/71/643528171.db2.gz PXWPMTVEBLOPEU-ZDUSSCGKSA-N 1 3 314.376 2.428 20 0 DEADHO COc1ccc(CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)c(OC)c1 ZINC000904389141 643651478 /nfs/dbraw/zinc/65/14/78/643651478.db2.gz IHJPZRQOLXRMEE-MRXNPFEDSA-N 1 3 320.433 2.034 20 0 DEADHO C[C@@H](C[NH+]1CCNCCNCC1)c1ccc(C(F)(F)F)cc1 ZINC000904396420 643653305 /nfs/dbraw/zinc/65/33/05/643653305.db2.gz OHVTYMXQQYLHRA-ZDUSSCGKSA-N 1 3 315.383 2.304 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000905287469 643858182 /nfs/dbraw/zinc/85/81/82/643858182.db2.gz AVCQBBWNIVVYDX-UKRRQHHQSA-N 1 3 304.438 2.115 20 0 DEADHO CN(C(=O)C(C)(C)N1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000908155249 644755263 /nfs/dbraw/zinc/75/52/63/644755263.db2.gz HPEDLVKNNHYPOO-XYPWUTKMSA-N 1 3 307.482 2.335 20 0 DEADHO CN(C(=O)C(C)(C)N1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000908155249 644755269 /nfs/dbraw/zinc/75/52/69/644755269.db2.gz HPEDLVKNNHYPOO-XYPWUTKMSA-N 1 3 307.482 2.335 20 0 DEADHO CN1CC[C@H]([NH2+]C[C@H](O)COc2cccc(F)c2)[C@H]2CCC[C@@H]21 ZINC000796700590 644779232 /nfs/dbraw/zinc/77/92/32/644779232.db2.gz FLPWXXIQSOSRGC-RANZSIQMSA-N 1 3 322.424 2.028 20 0 DEADHO CCc1noc(C)c1[C@H](C)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000799727201 645214216 /nfs/dbraw/zinc/21/42/16/645214216.db2.gz ZDXYBMIIRLDHLX-ZDUSSCGKSA-N 1 3 308.470 2.222 20 0 DEADHO CCc1noc(C)c1[C@H](C)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000799727201 645214220 /nfs/dbraw/zinc/21/42/20/645214220.db2.gz ZDXYBMIIRLDHLX-ZDUSSCGKSA-N 1 3 308.470 2.222 20 0 DEADHO CC[N@@H+]1CCCN(C(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000910281328 645386998 /nfs/dbraw/zinc/38/69/98/645386998.db2.gz JZJMEMIFEBTKRA-OAHLLOKOSA-N 1 3 303.450 2.305 20 0 DEADHO CC[N@H+]1CCCN(C(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000910281328 645387004 /nfs/dbraw/zinc/38/70/04/645387004.db2.gz JZJMEMIFEBTKRA-OAHLLOKOSA-N 1 3 303.450 2.305 20 0 DEADHO CC(C)(C)OC(=O)N1CCC[C@H](CCN2C[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000801913198 645460694 /nfs/dbraw/zinc/46/06/94/645460694.db2.gz RUZUQJFUHNSKTB-BZUAXINKSA-N 1 3 323.481 2.175 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000912193388 645987101 /nfs/dbraw/zinc/98/71/01/645987101.db2.gz JIFZJGNSJLZCKC-OAHLLOKOSA-N 1 3 310.486 2.033 20 0 DEADHO C[NH+](C)[C@@H](CC(=O)N[C@]1(C)CN2CCC1CC2)c1ccccc1 ZINC000912378572 646039393 /nfs/dbraw/zinc/03/93/93/646039393.db2.gz RZYSJSBBPVRPID-PKOBYXMFSA-N 1 3 315.461 2.280 20 0 DEADHO C[N@H+](CCC(=O)N[C@]1(C)CN2CCC1CC2)C1CCCCC1 ZINC000912378976 646039864 /nfs/dbraw/zinc/03/98/64/646039864.db2.gz UZSMIJIZVCSMJL-GOSISDBHSA-N 1 3 307.482 2.242 20 0 DEADHO C[N@@H+](CCC(=O)N[C@]1(C)CN2CCC1CC2)C1CCCCC1 ZINC000912378976 646039867 /nfs/dbraw/zinc/03/98/67/646039867.db2.gz UZSMIJIZVCSMJL-GOSISDBHSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000912524876 646097041 /nfs/dbraw/zinc/09/70/41/646097041.db2.gz XXGRBWWQKFMXFC-YESZJQIVSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000912524876 646097044 /nfs/dbraw/zinc/09/70/44/646097044.db2.gz XXGRBWWQKFMXFC-YESZJQIVSA-N 1 3 307.482 2.240 20 0 DEADHO O=C(NC[C@@H]1CCN1C1CCCC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000913160176 646277778 /nfs/dbraw/zinc/27/77/78/646277778.db2.gz VGWLRZKZNXWNAQ-IKGGRYGDSA-N 1 3 305.466 2.136 20 0 DEADHO O=C(NC[C@@H]1CCN1C1CCCC1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000913160176 646277783 /nfs/dbraw/zinc/27/77/83/646277783.db2.gz VGWLRZKZNXWNAQ-IKGGRYGDSA-N 1 3 305.466 2.136 20 0 DEADHO C[C@@H]1CCCCN1CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810141552 646331027 /nfs/dbraw/zinc/33/10/27/646331027.db2.gz BITGTEDVOZIOJL-PBHICJAKSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H]1CCCCN1CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810141552 646331030 /nfs/dbraw/zinc/33/10/30/646331030.db2.gz BITGTEDVOZIOJL-PBHICJAKSA-N 1 3 313.461 2.190 20 0 DEADHO CCCN1CC[C@H]1CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001388642773 1155052545 /nfs/dbraw/zinc/05/25/45/1155052545.db2.gz VHAVMFHWGLTVHY-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810246523 646344237 /nfs/dbraw/zinc/34/42/37/646344237.db2.gz BPWJLDAXJVFNLR-RHSMWYFYSA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810246523 646344240 /nfs/dbraw/zinc/34/42/40/646344240.db2.gz BPWJLDAXJVFNLR-RHSMWYFYSA-N 1 3 313.461 2.045 20 0 DEADHO COC(=O)[C@@H]1CCCC[C@@H]1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000929695883 646940544 /nfs/dbraw/zinc/94/05/44/646940544.db2.gz IUKNPTJPEOSLDK-BRWVUGGUSA-N 1 3 308.466 2.384 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCN1C ZINC000914100980 647155247 /nfs/dbraw/zinc/15/52/47/647155247.db2.gz UNLDUOCJPXYDQN-TWMKSMIVSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCN1C ZINC000914100980 647155249 /nfs/dbraw/zinc/15/52/49/647155249.db2.gz UNLDUOCJPXYDQN-TWMKSMIVSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]21 ZINC000992714751 647194189 /nfs/dbraw/zinc/19/41/89/647194189.db2.gz RDLGWYWMNMNZFH-HYVNUMGLSA-N 1 3 307.482 2.096 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000817898660 647376223 /nfs/dbraw/zinc/37/62/23/647376223.db2.gz IXJXVVSLWSEXSX-APPDUMDISA-N 1 3 303.381 2.372 20 0 DEADHO COc1cccc([C@H](O)C[NH2+][C@H](C)c2ccc(CN)nc2C)c1 ZINC000817904968 647378326 /nfs/dbraw/zinc/37/83/26/647378326.db2.gz JCGQXMUYQLQKKZ-KZULUSFZSA-N 1 3 315.417 2.242 20 0 DEADHO C[C@H](CC(=O)Nc1cccnc1Cl)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000817970330 647396819 /nfs/dbraw/zinc/39/68/19/647396819.db2.gz RMWXZGRTRREDCT-IJLUTSLNSA-N 1 3 310.829 2.312 20 0 DEADHO N[C@@H](CC1CCCCC1)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000818543191 647477204 /nfs/dbraw/zinc/47/72/04/647477204.db2.gz KLFZZDOTRVPAMQ-INIZCTEOSA-N 1 3 305.422 2.260 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CCN(CCF)CC(C)(C)C1)[NH+](C)C ZINC001388844089 1155135070 /nfs/dbraw/zinc/13/50/70/1155135070.db2.gz WXIKYEOVUYZWBW-LSDHHAIUSA-N 1 3 315.477 2.149 20 0 DEADHO Cc1ccccc1[C@H](O)CNCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000819265000 647621159 /nfs/dbraw/zinc/62/11/59/647621159.db2.gz KIJCEDWSNOJNJH-FUHWJXTLSA-N 1 3 306.450 2.119 20 0 DEADHO Cc1ccccc1[C@H](O)CNCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000819265000 647621161 /nfs/dbraw/zinc/62/11/61/647621161.db2.gz KIJCEDWSNOJNJH-FUHWJXTLSA-N 1 3 306.450 2.119 20 0 DEADHO Cc1ccc([C@@H](CNC(=S)NCCC[NH+](C)C)N(C)C)cc1 ZINC000921269001 648284253 /nfs/dbraw/zinc/28/42/53/648284253.db2.gz OULFZDKMBCKEBA-MRXNPFEDSA-N 1 3 322.522 2.014 20 0 DEADHO C[NH+](C)CC1CCN(C[C@@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC000827787058 649086066 /nfs/dbraw/zinc/08/60/66/649086066.db2.gz PHHPOMLKPRYXHK-QGZVFWFLSA-N 1 3 323.481 2.414 20 0 DEADHO Cc1ccc([C@H](CNC(=O)C[C@H]([NH3+])C2CC2)N2CCCC2)cc1 ZINC000827920403 649106090 /nfs/dbraw/zinc/10/60/90/649106090.db2.gz YQWSXVIMXYNLOP-ROUUACIJSA-N 1 3 315.461 2.376 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC2CCCC2)C1 ZINC000995180080 649108711 /nfs/dbraw/zinc/10/87/11/649108711.db2.gz DAAGRIOONZGIRO-JKSUJKDBSA-N 1 3 318.465 2.325 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(Cl)n1 ZINC000830462888 649449042 /nfs/dbraw/zinc/44/90/42/649449042.db2.gz ANBYIYUUDNWMRJ-IACUBPJLSA-N 1 3 324.856 2.032 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(Cl)n1 ZINC000830462888 649449043 /nfs/dbraw/zinc/44/90/43/649449043.db2.gz ANBYIYUUDNWMRJ-IACUBPJLSA-N 1 3 324.856 2.032 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CCC(C)C)C[C@H]1C ZINC000944443117 649526811 /nfs/dbraw/zinc/52/68/11/649526811.db2.gz GQHOIENUOACYEO-UKRRQHHQSA-N 1 3 306.454 2.133 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CCC(C)C)C[C@H]1C ZINC000944443117 649526812 /nfs/dbraw/zinc/52/68/12/649526812.db2.gz GQHOIENUOACYEO-UKRRQHHQSA-N 1 3 306.454 2.133 20 0 DEADHO [NH3+]CCCCCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000831094878 649537606 /nfs/dbraw/zinc/53/76/06/649537606.db2.gz PUQNZFNCIJGRHG-KRWDZBQOSA-N 1 3 318.465 2.079 20 0 DEADHO CC[C@@H]1CN(C)CCCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000846988979 651367224 /nfs/dbraw/zinc/36/72/24/651367224.db2.gz OGEIXISSALUWRS-RHSMWYFYSA-N 1 3 313.461 2.142 20 0 DEADHO CC[C@@H]1CN(C)CCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000846988979 651367226 /nfs/dbraw/zinc/36/72/26/651367226.db2.gz OGEIXISSALUWRS-RHSMWYFYSA-N 1 3 313.461 2.142 20 0 DEADHO COC(=O)Cc1ccccc1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000848572922 651472938 /nfs/dbraw/zinc/47/29/38/651472938.db2.gz NRVVPFXVSVSNQZ-KURKYZTESA-N 1 3 316.445 2.365 20 0 DEADHO COC(=O)Cc1ccccc1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000848572922 651472940 /nfs/dbraw/zinc/47/29/40/651472940.db2.gz NRVVPFXVSVSNQZ-KURKYZTESA-N 1 3 316.445 2.365 20 0 DEADHO COCCCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000848989193 651573005 /nfs/dbraw/zinc/57/30/05/651573005.db2.gz DTWZWVDYCWUHCR-UHFFFAOYSA-N 1 3 318.465 2.192 20 0 DEADHO CCN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)[C@H]1CC[N@H+](CC)C1 ZINC000855487543 651708088 /nfs/dbraw/zinc/70/80/88/651708088.db2.gz WUHMVIZWMZKEDE-YOEHRIQHSA-N 1 3 313.461 2.142 20 0 DEADHO CCN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000855487543 651708091 /nfs/dbraw/zinc/70/80/91/651708091.db2.gz WUHMVIZWMZKEDE-YOEHRIQHSA-N 1 3 313.461 2.142 20 0 DEADHO Cc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)nn1 ZINC000850362402 651911429 /nfs/dbraw/zinc/91/14/29/651911429.db2.gz NFFRLBJMPSUGDO-UHFFFAOYSA-N 1 3 311.433 2.182 20 0 DEADHO C[C@@H](CNC(=O)C[C@@H]1NCc2ccccc21)[NH+]1CCCCC1 ZINC000852792722 652458044 /nfs/dbraw/zinc/45/80/44/652458044.db2.gz AHGLMHFGRKQYPX-YOEHRIQHSA-N 1 3 301.434 2.212 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H](O)c1cccc2ccccc21 ZINC000854221000 652659706 /nfs/dbraw/zinc/65/97/06/652659706.db2.gz DQJQRDIWZAVBEX-NOENWEJRSA-N 1 3 314.429 2.215 20 0 DEADHO CC[N@H+](C)CCC(=O)NC1(CNCc2ccns2)CCCC1 ZINC001391769864 1156794601 /nfs/dbraw/zinc/79/46/01/1156794601.db2.gz LZIRMIICQDEZAS-UHFFFAOYSA-N 1 3 324.494 2.004 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC1(CNCc2ccns2)CCCC1 ZINC001391769864 1156794622 /nfs/dbraw/zinc/79/46/22/1156794622.db2.gz LZIRMIICQDEZAS-UHFFFAOYSA-N 1 3 324.494 2.004 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]([NH3+])CC1CC1 ZINC000382751556 685405785 /nfs/dbraw/zinc/40/57/85/685405785.db2.gz CBRBZFGCJKDXQZ-CRAIPNDOSA-N 1 3 315.461 2.237 20 0 DEADHO CC1(C)OC[C@H](CNC2CC[NH+](CCc3ccccc3)CC2)O1 ZINC000391082166 685443708 /nfs/dbraw/zinc/44/37/08/685443708.db2.gz OTLDWISKTDTEIW-SFHVURJKSA-N 1 3 318.461 2.435 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)NC/C=C/Cl)[NH+]1CCCC1 ZINC001394563739 1158636218 /nfs/dbraw/zinc/63/62/18/1158636218.db2.gz BQAXZNSPOIHADQ-PEGRTIRESA-N 1 3 315.889 2.296 20 0 DEADHO C[C@H]1[C@H](NC(=O)c2ccc(NC3=NCCC3)cc2)CC[N@@H+]1C ZINC000928428346 693776826 /nfs/dbraw/zinc/77/68/26/693776826.db2.gz MNCCJNQVCJNDQZ-SWLSCSKDSA-N 1 3 300.406 2.113 20 0 DEADHO C[C@H]1[C@H](NC(=O)c2ccc(NC3=NCCC3)cc2)CC[N@H+]1C ZINC000928428346 693776828 /nfs/dbraw/zinc/77/68/28/693776828.db2.gz MNCCJNQVCJNDQZ-SWLSCSKDSA-N 1 3 300.406 2.113 20 0 DEADHO O=C1OCCN1CCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000079979108 683977320 /nfs/dbraw/zinc/97/73/20/683977320.db2.gz FACSBNLXEYCIPG-UHFFFAOYSA-N 1 3 309.454 2.027 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)N(C)C ZINC000133934517 684224039 /nfs/dbraw/zinc/22/40/39/684224039.db2.gz LVJVDGLCAZETFG-ULQDDVLXSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)N(C)C ZINC000133934517 684224040 /nfs/dbraw/zinc/22/40/40/684224040.db2.gz LVJVDGLCAZETFG-ULQDDVLXSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H]([NH3+])CN(C)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000861567105 686146697 /nfs/dbraw/zinc/14/66/97/686146697.db2.gz AUJGLLBBHDPETB-DOTOQJQBSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1[NH2+]CC1CCC1 ZINC001054650566 694014512 /nfs/dbraw/zinc/01/45/12/694014512.db2.gz RQQVZCAFEPRDOR-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CCC1CCCC1 ZINC001054735086 694035745 /nfs/dbraw/zinc/03/57/45/694035745.db2.gz HOTQJVPXLSMTNI-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO COc1ccc([C@H](CN)C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)cc1 ZINC000866702999 687658730 /nfs/dbraw/zinc/65/87/30/687658730.db2.gz CUHMAHMYVRBUPG-XHSDSOJGSA-N 1 3 306.475 2.422 20 0 DEADHO COc1ccc([C@H](CN)C[N@H+]2CC[C@H]3CSC[C@@H]3C2)cc1 ZINC000866702999 687658731 /nfs/dbraw/zinc/65/87/31/687658731.db2.gz CUHMAHMYVRBUPG-XHSDSOJGSA-N 1 3 306.475 2.422 20 0 DEADHO CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001016861056 687720956 /nfs/dbraw/zinc/72/09/56/687720956.db2.gz NNEQLRVSKRKWGL-JKSUJKDBSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)[N@H+](C)C[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001017209588 687824272 /nfs/dbraw/zinc/82/42/72/687824272.db2.gz QSNINCIYWGTZDW-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[N@@H+](C)C[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001017209588 687824277 /nfs/dbraw/zinc/82/42/77/687824277.db2.gz QSNINCIYWGTZDW-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CC1(C)[C@@H]([NH3+])c2ccccc2N1C(=O)[C@@H](N)Cc1ccccc1 ZINC000867988974 687863095 /nfs/dbraw/zinc/86/30/95/687863095.db2.gz YRAQEZOENRXSFE-RDJZCZTQSA-N 1 3 309.413 2.382 20 0 DEADHO CC(C)[NH+]1CCC(CCNC(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000868364632 687992273 /nfs/dbraw/zinc/99/22/73/687992273.db2.gz AGJGOPFKGGGNCM-INIZCTEOSA-N 1 3 322.497 2.033 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001018635098 688190320 /nfs/dbraw/zinc/19/03/20/688190320.db2.gz NBFUMINOZYUKKR-DLBZAZTESA-N 1 3 307.482 2.242 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001018635290 688190832 /nfs/dbraw/zinc/19/08/32/688190832.db2.gz OVXMYPXEMVMHBT-JKSUJKDBSA-N 1 3 321.852 2.125 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1)C1CC1 ZINC001018966292 688262562 /nfs/dbraw/zinc/26/25/62/688262562.db2.gz GAACRQAUAZGBDW-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1)C1CC1 ZINC001018966376 688262619 /nfs/dbraw/zinc/26/26/19/688262619.db2.gz GSZVRYDODVTONK-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cc1 ZINC001018964988 688262966 /nfs/dbraw/zinc/26/29/66/688262966.db2.gz RSJWHEDCNLNWSY-ZWKOTPCHSA-N 1 3 315.461 2.026 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCc3ccccc32)C1)N(C)C ZINC001019032164 688273555 /nfs/dbraw/zinc/27/35/55/688273555.db2.gz JOHZQNZGSUZXGD-RYQLBKOJSA-N 1 3 315.461 2.205 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccccc2C)C1)N(C)C ZINC001019033148 688273665 /nfs/dbraw/zinc/27/36/65/688273665.db2.gz AZSDGCAQTYBFKS-DLBZAZTESA-N 1 3 303.450 2.026 20 0 DEADHO O=C(N1CC[C@H](NCc2ccsc2)C1)C12CCC[NH+]1CCC2 ZINC001019087689 688282358 /nfs/dbraw/zinc/28/23/58/688282358.db2.gz AIOBRINUNOMKBT-HNNXBMFYSA-N 1 3 319.474 2.067 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001019382591 688343064 /nfs/dbraw/zinc/34/30/64/688343064.db2.gz CTSXWTVFNOIZSO-QAPCUYQASA-N 1 3 315.461 2.027 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001019383034 688343092 /nfs/dbraw/zinc/34/30/92/688343092.db2.gz TWNIXAKZXRITMR-RDJZCZTQSA-N 1 3 305.466 2.019 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001019381068 688343466 /nfs/dbraw/zinc/34/34/66/688343466.db2.gz XFOCRXIXUOIPEI-AEFFLSMTSA-N 1 3 315.461 2.170 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001019383484 688343545 /nfs/dbraw/zinc/34/35/45/688343545.db2.gz GNPYBKRHCCYCBC-WBVHZDCISA-N 1 3 307.482 2.099 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC[C@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001019386928 688344059 /nfs/dbraw/zinc/34/40/59/688344059.db2.gz YTINYMBBXDWGAF-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001019435292 688355950 /nfs/dbraw/zinc/35/59/50/688355950.db2.gz AFPCFEWRKRNVSY-MAUKXSAKSA-N 1 3 324.428 2.220 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001019435796 688356546 /nfs/dbraw/zinc/35/65/46/688356546.db2.gz MZXWHBMZDGCYHQ-HNNXBMFYSA-N 1 3 316.449 2.113 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2)C1 ZINC001019820450 688413606 /nfs/dbraw/zinc/41/36/06/688413606.db2.gz KRRLWOBHFLNQBC-ROUUACIJSA-N 1 3 315.461 2.252 20 0 DEADHO [NH3+][C@H]1CC[C@@H](C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000870853891 688667550 /nfs/dbraw/zinc/66/75/50/688667550.db2.gz HHTQSMZHPFBINN-FGTMMUONSA-N 1 3 315.461 2.457 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870901699 688681496 /nfs/dbraw/zinc/68/14/96/688681496.db2.gz COVUUKNXRJKUQI-OKILXGFUSA-N 1 3 309.479 2.156 20 0 DEADHO Cc1cccc(CN2CC[C@@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC000870908295 688683384 /nfs/dbraw/zinc/68/33/84/688683384.db2.gz ZPJJIUXHGYHYNT-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO COc1ccc(OC)c([C@H](O)[C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000872137887 688934602 /nfs/dbraw/zinc/93/46/02/688934602.db2.gz RLIHRTWQVKGPJF-KYZVSKTDSA-N 1 3 322.449 2.198 20 0 DEADHO COc1ccc(OC)c([C@H](O)[C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000872137887 688934604 /nfs/dbraw/zinc/93/46/04/688934604.db2.gz RLIHRTWQVKGPJF-KYZVSKTDSA-N 1 3 322.449 2.198 20 0 DEADHO CN(CCCCCC[NH3+])CC(=O)N(C)Cc1ccc(F)cc1 ZINC000872154962 688939787 /nfs/dbraw/zinc/93/97/87/688939787.db2.gz HLPWCXUXOFCHEU-UHFFFAOYSA-N 1 3 309.429 2.235 20 0 DEADHO C[C@H]([NH2+]C[C@@H](O)CC(C)(C)O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000872205337 688951956 /nfs/dbraw/zinc/95/19/56/688951956.db2.gz BRXSXAJIPIULKH-SZMVWBNQSA-N 1 3 320.477 2.009 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1C[NH+](CC2CCC2)C1 ZINC001032026523 689044905 /nfs/dbraw/zinc/04/49/05/689044905.db2.gz GSRBNRWNULSHBB-QGZVFWFLSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1cccc([C@@H](C)N2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001032185636 689079874 /nfs/dbraw/zinc/07/98/74/689079874.db2.gz AQXOJULCNSJWDA-CRAIPNDOSA-N 1 3 315.461 2.056 20 0 DEADHO Cc1cccc([C@@H](C)N2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001032185636 689079876 /nfs/dbraw/zinc/07/98/76/689079876.db2.gz AQXOJULCNSJWDA-CRAIPNDOSA-N 1 3 315.461 2.056 20 0 DEADHO C[C@H](F)CC[NH+]1CC(CNC(=O)c2ccccc2CN(C)C)C1 ZINC001032206860 689082878 /nfs/dbraw/zinc/08/28/78/689082878.db2.gz LUKFIUJQZRDGEE-AWEZNQCLSA-N 1 3 321.440 2.158 20 0 DEADHO CN(C)Cc1ccsc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC1 ZINC001032430886 689149566 /nfs/dbraw/zinc/14/95/66/689149566.db2.gz HFZIYAJDULMJRR-GJZGRUSLSA-N 1 3 319.474 2.118 20 0 DEADHO CN(C)Cc1ccsc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CC1 ZINC001032430886 689149568 /nfs/dbraw/zinc/14/95/68/689149568.db2.gz HFZIYAJDULMJRR-GJZGRUSLSA-N 1 3 319.474 2.118 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CC2)C1 ZINC001032443563 689152566 /nfs/dbraw/zinc/15/25/66/689152566.db2.gz XWGRYLPKACAGLX-BZSNNMDCSA-N 1 3 319.493 2.050 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CC2)C1 ZINC001032443563 689152568 /nfs/dbraw/zinc/15/25/68/689152568.db2.gz XWGRYLPKACAGLX-BZSNNMDCSA-N 1 3 319.493 2.050 20 0 DEADHO COCCO[C@@H]1CCCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873207410 689183519 /nfs/dbraw/zinc/18/35/19/689183519.db2.gz BASNKQOTJLMNDA-CQSZACIVSA-N 1 3 310.463 2.021 20 0 DEADHO CC[C@@H](C)CN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001032557865 689185744 /nfs/dbraw/zinc/18/57/44/689185744.db2.gz TZJUBUYUXOZTSG-PMPSAXMXSA-N 1 3 307.482 2.192 20 0 DEADHO Cc1cncc([C@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)c1 ZINC000873243469 689192171 /nfs/dbraw/zinc/19/21/71/689192171.db2.gz LPLNZMNZHZIDNY-AWEZNQCLSA-N 1 3 322.416 2.280 20 0 DEADHO c1csc([C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2nnc[n-]2)c1 ZINC000873261681 689196824 /nfs/dbraw/zinc/19/68/24/689196824.db2.gz QLOBFSDHABYUCA-GFQSEFKGSA-N 1 3 303.435 2.076 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1COc2cccc(Br)c2C1 ZINC000873273084 689199530 /nfs/dbraw/zinc/19/95/30/689199530.db2.gz YKDYAXLPNUFMAN-GARJFASQSA-N 1 3 313.239 2.468 20 0 DEADHO C[C@H](N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12)C1C[NH2+]C1 ZINC000873274544 689200029 /nfs/dbraw/zinc/20/00/29/689200029.db2.gz DOQOBQSRABQBNW-QZGALJGZSA-N 1 3 307.235 2.285 20 0 DEADHO c1cnc2c(c1)CCC[C@@H]2NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873293397 689203775 /nfs/dbraw/zinc/20/37/75/689203775.db2.gz LVQXWBMMIFXHAE-CVEARBPZSA-N 1 3 301.434 2.207 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCCC1 ZINC001032626480 689205880 /nfs/dbraw/zinc/20/58/80/689205880.db2.gz GUHDQOMMFWGCOX-SZMVWBNQSA-N 1 3 319.493 2.336 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCCC1 ZINC001032626480 689205882 /nfs/dbraw/zinc/20/58/82/689205882.db2.gz GUHDQOMMFWGCOX-SZMVWBNQSA-N 1 3 319.493 2.336 20 0 DEADHO CC[C@@H](C(=O)N[C@]1(C)CCN(CCCF)C1)[NH+](CC)CC ZINC001375847527 1158889913 /nfs/dbraw/zinc/88/99/13/1158889913.db2.gz XQYXOOOSIDYSRW-GOEBONIOSA-N 1 3 301.450 2.047 20 0 DEADHO CC[C@@H](C(=O)N[C@]1(C)CC[N@H+](CCCF)C1)N(CC)CC ZINC001375847527 1158889915 /nfs/dbraw/zinc/88/99/15/1158889915.db2.gz XQYXOOOSIDYSRW-GOEBONIOSA-N 1 3 301.450 2.047 20 0 DEADHO CC[C@@H](C(=O)N[C@]1(C)CC[N@@H+](CCCF)C1)N(CC)CC ZINC001375847527 1158889918 /nfs/dbraw/zinc/88/99/18/1158889918.db2.gz XQYXOOOSIDYSRW-GOEBONIOSA-N 1 3 301.450 2.047 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CC34CCC4)CC2)CC1 ZINC000874778654 689486863 /nfs/dbraw/zinc/48/68/63/689486863.db2.gz QUUWHMVRMBPCRT-KRWDZBQOSA-N 1 3 319.493 2.242 20 0 DEADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000874834517 689509339 /nfs/dbraw/zinc/50/93/39/689509339.db2.gz SJCSZJJMDBXVHM-GVDBMIGSSA-N 1 3 305.466 2.089 20 0 DEADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000874834517 689509341 /nfs/dbraw/zinc/50/93/41/689509341.db2.gz SJCSZJJMDBXVHM-GVDBMIGSSA-N 1 3 305.466 2.089 20 0 DEADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000874836131 689509737 /nfs/dbraw/zinc/50/97/37/689509737.db2.gz BQZHTUFTAOPAKI-IAGOWNOFSA-N 1 3 301.434 2.057 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001033588821 689552855 /nfs/dbraw/zinc/55/28/55/689552855.db2.gz LCFBAVQZWGODAG-KGLIPLIRSA-N 1 3 306.454 2.266 20 0 DEADHO CC[C@@H](C)C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001033588821 689552858 /nfs/dbraw/zinc/55/28/58/689552858.db2.gz LCFBAVQZWGODAG-KGLIPLIRSA-N 1 3 306.454 2.266 20 0 DEADHO CCC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033683446 689583038 /nfs/dbraw/zinc/58/30/38/689583038.db2.gz HGEGXGRLESOBKM-KRWDZBQOSA-N 1 3 303.450 2.305 20 0 DEADHO CCC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033683446 689583040 /nfs/dbraw/zinc/58/30/40/689583040.db2.gz HGEGXGRLESOBKM-KRWDZBQOSA-N 1 3 303.450 2.305 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N(C)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001033684086 689583727 /nfs/dbraw/zinc/58/37/27/689583727.db2.gz CTBXDCDLFKPKKT-KRWDZBQOSA-N 1 3 315.461 2.305 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N(C)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001033684086 689583731 /nfs/dbraw/zinc/58/37/31/689583731.db2.gz CTBXDCDLFKPKKT-KRWDZBQOSA-N 1 3 315.461 2.305 20 0 DEADHO CCN(C(=O)[C@H]1CCCN1C(C)C)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001033827576 689628919 /nfs/dbraw/zinc/62/89/19/689628919.db2.gz GJQBRCQSKFKFMB-IAGOWNOFSA-N 1 3 307.482 2.192 20 0 DEADHO CCN(C(=O)[C@H]1CCCN1C(C)C)[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001033827576 689628921 /nfs/dbraw/zinc/62/89/21/689628921.db2.gz GJQBRCQSKFKFMB-IAGOWNOFSA-N 1 3 307.482 2.192 20 0 DEADHO CN(C)C[C@@H]1CC[N@H+](CC23CC(C2)CN3C(=O)OC(C)(C)C)C1 ZINC000876730657 689918553 /nfs/dbraw/zinc/91/85/53/689918553.db2.gz IYQUFHRLNNZUCW-SYJJWHGVSA-N 1 3 323.481 2.269 20 0 DEADHO CN(C)C[C@@H]1CC[N@@H+](CC23CC(C2)CN3C(=O)OC(C)(C)C)C1 ZINC000876730657 689918556 /nfs/dbraw/zinc/91/85/56/689918556.db2.gz IYQUFHRLNNZUCW-SYJJWHGVSA-N 1 3 323.481 2.269 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1 ZINC001034786769 689947887 /nfs/dbraw/zinc/94/78/87/689947887.db2.gz SRWVANPRDFWMBA-SHTZXODSSA-N 1 3 304.438 2.078 20 0 DEADHO COc1c(C)cnc(CNCCCC[N@@H+]2CCC[C@H]2CO)c1C ZINC000877041747 690005438 /nfs/dbraw/zinc/00/54/38/690005438.db2.gz NEYBCRBZRDSJRD-INIZCTEOSA-N 1 3 321.465 2.034 20 0 DEADHO COc1c(C)cnc(CNCCCC[N@H+]2CCC[C@H]2CO)c1C ZINC000877041747 690005441 /nfs/dbraw/zinc/00/54/41/690005441.db2.gz NEYBCRBZRDSJRD-INIZCTEOSA-N 1 3 321.465 2.034 20 0 DEADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CC2CCC2)C1 ZINC001035048788 690021316 /nfs/dbraw/zinc/02/13/16/690021316.db2.gz WIIJOGKSIXACGS-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+][C@H]1CCc2ccccc21 ZINC001035063239 690023884 /nfs/dbraw/zinc/02/38/84/690023884.db2.gz SLEVROIWGIVEKO-AEFFLSMTSA-N 1 3 324.428 2.220 20 0 DEADHO C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1)c1ccccc1 ZINC001035126362 690034058 /nfs/dbraw/zinc/03/40/58/690034058.db2.gz ZKFBGQDQWBRTPN-SJLPKXTDSA-N 1 3 315.461 2.424 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)CCCCC[NH3+])C2)cc1 ZINC000877221044 690049008 /nfs/dbraw/zinc/04/90/08/690049008.db2.gz MRJUZIMZYFWJKD-QGZVFWFLSA-N 1 3 303.450 2.205 20 0 DEADHO CC[C@H](C(=O)N1CCC2(CC[N@H+](CC3CCC3)C2)CC1)N(C)C ZINC001035196894 690056049 /nfs/dbraw/zinc/05/60/49/690056049.db2.gz GFZQBVUAYBCORI-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N1CCC2(CC[N@@H+](CC3CCC3)C2)CC1)N(C)C ZINC001035196894 690056051 /nfs/dbraw/zinc/05/60/51/690056051.db2.gz GFZQBVUAYBCORI-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[N@@H+]1CCC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001035194274 690056715 /nfs/dbraw/zinc/05/67/15/690056715.db2.gz YHQWKQWVYISWSX-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[N@H+]1CCC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001035194274 690056719 /nfs/dbraw/zinc/05/67/19/690056719.db2.gz YHQWKQWVYISWSX-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N1CCC2(CC[N@H+](CCCF)C2)CC1)N(C)C ZINC001035197494 690057621 /nfs/dbraw/zinc/05/76/21/690057621.db2.gz OXWSIMNCSONVIP-OAHLLOKOSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@H](C(=O)N1CCC2(CC[N@@H+](CCCF)C2)CC1)N(C)C ZINC001035197494 690057624 /nfs/dbraw/zinc/05/76/24/690057624.db2.gz OXWSIMNCSONVIP-OAHLLOKOSA-N 1 3 313.461 2.001 20 0 DEADHO CC(C)=CC[N@@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001035231044 690067488 /nfs/dbraw/zinc/06/74/88/690067488.db2.gz HDFJNBPKGBKSGA-UHFFFAOYSA-N 1 3 316.449 2.233 20 0 DEADHO CC(C)=CC[N@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001035231044 690067492 /nfs/dbraw/zinc/06/74/92/690067492.db2.gz HDFJNBPKGBKSGA-UHFFFAOYSA-N 1 3 316.449 2.233 20 0 DEADHO N[C@H](CC(F)F)C(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000877452692 690117339 /nfs/dbraw/zinc/11/73/39/690117339.db2.gz QMCRHFGEOXNYOO-KWCYVHTRSA-N 1 3 317.424 2.115 20 0 DEADHO CC(C)=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCCN1C)CC2 ZINC001035732676 690163714 /nfs/dbraw/zinc/16/37/14/690163714.db2.gz ICMFZHVQJWAEGJ-QGZVFWFLSA-N 1 3 319.493 2.361 20 0 DEADHO CCCC[NH+]1CC2(C1)CCN(C(=O)CN1CCC[C@@H]1C)CC2 ZINC001035799197 690179668 /nfs/dbraw/zinc/17/96/68/690179668.db2.gz VUNDRCLTECUYSY-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO CN1CC[NH+](C2CCN(Cc3ccc4[nH]ccc4c3)CC2)CC1 ZINC000877745871 690213328 /nfs/dbraw/zinc/21/33/28/690213328.db2.gz BPDMOJACMUXBSM-UHFFFAOYSA-N 1 3 312.461 2.380 20 0 DEADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1[NH2+]CCC1CC1 ZINC001036183244 690283871 /nfs/dbraw/zinc/28/38/71/690283871.db2.gz RHXWCXANPOGQBE-RDJZCZTQSA-N 1 3 321.509 2.345 20 0 DEADHO CN1CCCC[C@@H]1CC[N@H+](C)CCc1ccc(C(N)=O)cc1 ZINC000878136299 690321430 /nfs/dbraw/zinc/32/14/30/690321430.db2.gz VPFKUYGJRGOBRC-QGZVFWFLSA-N 1 3 303.450 2.134 20 0 DEADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCc1ccc(C(N)=O)cc1 ZINC000878136299 690321432 /nfs/dbraw/zinc/32/14/32/690321432.db2.gz VPFKUYGJRGOBRC-QGZVFWFLSA-N 1 3 303.450 2.134 20 0 DEADHO CC[N@@H+]1CC[C@@H](N(C)CCc2ccc(C(N)=O)cc2)C[C@H]1C ZINC000878163534 690331360 /nfs/dbraw/zinc/33/13/60/690331360.db2.gz SSMSJDOCWVPGCT-RHSMWYFYSA-N 1 3 303.450 2.133 20 0 DEADHO CC[N@H+]1CC[C@@H](N(C)CCc2ccc(C(N)=O)cc2)C[C@H]1C ZINC000878163534 690331361 /nfs/dbraw/zinc/33/13/61/690331361.db2.gz SSMSJDOCWVPGCT-RHSMWYFYSA-N 1 3 303.450 2.133 20 0 DEADHO CC(=O)Oc1ccc(C[NH+]2C[C@@]3(C)CN(C)C[C@]3(C)C2)cc1 ZINC000931310613 694364490 /nfs/dbraw/zinc/36/44/90/694364490.db2.gz GEIZUTMJQRYNJU-QZTJIDSGSA-N 1 3 302.418 2.386 20 0 DEADHO C[C@@H]1[C@@H](c2ccccc2)CCN1CC(=O)NC1CC[NH+](C)CC1 ZINC000878176019 690336440 /nfs/dbraw/zinc/33/64/40/690336440.db2.gz AYTCATJSDUIGCU-QAPCUYQASA-N 1 3 315.461 2.075 20 0 DEADHO C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)[C@H]1C[NH2+]CC1CCC1 ZINC001036557161 690385528 /nfs/dbraw/zinc/38/55/28/690385528.db2.gz YEUGQCZHMOXAMC-QAPCUYQASA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H](O)CCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000878536143 690435546 /nfs/dbraw/zinc/43/55/46/690435546.db2.gz NUAZJUWWLQFDPK-OTWHNJEPSA-N 1 3 302.462 2.457 20 0 DEADHO CC(C)[C@@H](O)CCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000878536143 690435548 /nfs/dbraw/zinc/43/55/48/690435548.db2.gz NUAZJUWWLQFDPK-OTWHNJEPSA-N 1 3 302.462 2.457 20 0 DEADHO CCC(CC)C[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001036829703 690490948 /nfs/dbraw/zinc/49/09/48/690490948.db2.gz JWNRVGQCQRUCSL-DOTOQJQBSA-N 1 3 318.465 2.311 20 0 DEADHO CCC(CC)C[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001036829703 690490951 /nfs/dbraw/zinc/49/09/51/690490951.db2.gz JWNRVGQCQRUCSL-DOTOQJQBSA-N 1 3 318.465 2.311 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC1CC1)N1CCCC1 ZINC001037056893 690562307 /nfs/dbraw/zinc/56/23/07/690562307.db2.gz NHUMNGVCPQMASS-HZPDHXFCSA-N 1 3 307.482 2.145 20 0 DEADHO COc1ccc([C@H]2CN(CC[C@H]3CCC[N@@H+]3C)CCN2)cc1 ZINC000879519958 690660043 /nfs/dbraw/zinc/66/00/43/690660043.db2.gz CLINLOAOWWQDIF-SJLPKXTDSA-N 1 3 303.450 2.126 20 0 DEADHO COc1ccc([C@H]2CN(CC[C@H]3CCC[N@H+]3C)CCN2)cc1 ZINC000879519958 690660046 /nfs/dbraw/zinc/66/00/46/690660046.db2.gz CLINLOAOWWQDIF-SJLPKXTDSA-N 1 3 303.450 2.126 20 0 DEADHO COc1cccc([C@H]2CN(CC[C@@H]3CCC[N@@H+]3C)CCN2)c1 ZINC000879523418 690661571 /nfs/dbraw/zinc/66/15/71/690661571.db2.gz CNUPSKFLKFERMC-FUHWJXTLSA-N 1 3 303.450 2.126 20 0 DEADHO COc1cccc([C@H]2CN(CC[C@@H]3CCC[N@H+]3C)CCN2)c1 ZINC000879523418 690661575 /nfs/dbraw/zinc/66/15/75/690661575.db2.gz CNUPSKFLKFERMC-FUHWJXTLSA-N 1 3 303.450 2.126 20 0 DEADHO O=C(NC[C@H]1CCN1CCC1CCCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001038259429 690760508 /nfs/dbraw/zinc/76/05/08/690760508.db2.gz AJPQGSMMLQNENJ-MSOLQXFVSA-N 1 3 319.493 2.099 20 0 DEADHO CC1CC(CN2CC[C@@H]2CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001038394213 690804723 /nfs/dbraw/zinc/80/47/23/690804723.db2.gz NMQFHVQQENMEQA-OFLPRAFFSA-N 1 3 319.493 2.099 20 0 DEADHO CN1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1=CCCCC1 ZINC001038408444 690808720 /nfs/dbraw/zinc/80/87/20/690808720.db2.gz KFNVAPNIZCXFNP-DLBZAZTESA-N 1 3 305.466 2.162 20 0 DEADHO CN1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1=CCCCC1 ZINC001038408444 690808725 /nfs/dbraw/zinc/80/87/25/690808725.db2.gz KFNVAPNIZCXFNP-DLBZAZTESA-N 1 3 305.466 2.162 20 0 DEADHO CCCCN1CC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038701047 690901021 /nfs/dbraw/zinc/90/10/21/690901021.db2.gz UYBBBDHASQVFDW-GOSISDBHSA-N 1 3 317.477 2.395 20 0 DEADHO CN(CCCC[NH+]1CCCCC1)C[C@H](O)c1ccc(F)cn1 ZINC000880517056 690915808 /nfs/dbraw/zinc/91/58/08/690915808.db2.gz IXJGQPTZBQCCMW-KRWDZBQOSA-N 1 3 309.429 2.452 20 0 DEADHO CCCCN1CC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001038818580 690933039 /nfs/dbraw/zinc/93/30/39/690933039.db2.gz PKENHVRYQPMPLF-QGZVFWFLSA-N 1 3 303.450 2.352 20 0 DEADHO CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC001039135930 691030591 /nfs/dbraw/zinc/03/05/91/691030591.db2.gz JEINNOAOXFNLFU-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC001039135930 691030596 /nfs/dbraw/zinc/03/05/96/691030596.db2.gz JEINNOAOXFNLFU-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001039159288 691035228 /nfs/dbraw/zinc/03/52/28/691035228.db2.gz JEINNOAOXFNLFU-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001039159288 691035231 /nfs/dbraw/zinc/03/52/31/691035231.db2.gz JEINNOAOXFNLFU-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C(C)C)N(C)C ZINC001039294340 691076144 /nfs/dbraw/zinc/07/61/44/691076144.db2.gz VWYCSEZIYGXGOJ-NPYXIHBLSA-N 1 3 309.498 2.483 20 0 DEADHO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCC(C)(C)C1 ZINC001039298457 691076839 /nfs/dbraw/zinc/07/68/39/691076839.db2.gz XTGLCGXCDZGEJV-MQVJKMGUSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C(C)C)CC2 ZINC001039373725 691091612 /nfs/dbraw/zinc/09/16/12/691091612.db2.gz KYQKGZGTYRTZET-IXDOHACOSA-N 1 3 307.482 2.333 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1C[N@H+](C(C)C)CC2 ZINC001039373725 691091615 /nfs/dbraw/zinc/09/16/15/691091615.db2.gz KYQKGZGTYRTZET-IXDOHACOSA-N 1 3 307.482 2.333 20 0 DEADHO CC[N@H+](CC1CC1)C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001039489168 691117613 /nfs/dbraw/zinc/11/76/13/691117613.db2.gz OERRCCBXLBFIRB-HNNXBMFYSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@@H+](CC1CC1)C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001039489168 691117616 /nfs/dbraw/zinc/11/76/16/691117616.db2.gz OERRCCBXLBFIRB-HNNXBMFYSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040241617 691219563 /nfs/dbraw/zinc/21/95/63/691219563.db2.gz PZNKRGGHEBXVRP-GOSISDBHSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040241617 691219565 /nfs/dbraw/zinc/21/95/65/691219565.db2.gz PZNKRGGHEBXVRP-GOSISDBHSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](C(C)C)C2)N(C)C ZINC001040378255 691239265 /nfs/dbraw/zinc/23/92/65/691239265.db2.gz DEORTLXRAGPPOQ-SJLPKXTDSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](C(C)C)C2)N(C)C ZINC001040378255 691239268 /nfs/dbraw/zinc/23/92/68/691239268.db2.gz DEORTLXRAGPPOQ-SJLPKXTDSA-N 1 3 309.498 2.296 20 0 DEADHO CN(C)C1(C(=O)N2CCC3(C2)CC[NH+](CC2CC2)CC3)CCC1 ZINC001040725748 691282425 /nfs/dbraw/zinc/28/24/25/691282425.db2.gz GDQCZKWSUOXRNR-UHFFFAOYSA-N 1 3 319.493 2.195 20 0 DEADHO CC(C)C[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC1 ZINC001040730162 691282972 /nfs/dbraw/zinc/28/29/72/691282972.db2.gz SDDNZRFEULGNHZ-QGZVFWFLSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC3(C2)CC[NH+](CC2CC2)CC3)C1 ZINC001040849342 691292555 /nfs/dbraw/zinc/29/25/55/691292555.db2.gz QMZNXIMDGZKZNA-INIZCTEOSA-N 1 3 319.493 2.053 20 0 DEADHO CC[C@@H](C(=O)N1CCC2(C1)CC[NH+](CC1CCC1)CC2)N(C)C ZINC001040853345 691293229 /nfs/dbraw/zinc/29/32/29/691293229.db2.gz MKWLXILXTCGJNC-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001041671076 691407567 /nfs/dbraw/zinc/40/75/67/691407567.db2.gz LDRRPWTWJMUZRI-GOSISDBHSA-N 1 3 307.482 2.053 20 0 DEADHO CCC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001041671076 691407569 /nfs/dbraw/zinc/40/75/69/691407569.db2.gz LDRRPWTWJMUZRI-GOSISDBHSA-N 1 3 307.482 2.053 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001041674122 691408616 /nfs/dbraw/zinc/40/86/16/691408616.db2.gz IEFUPKJGUYNIGL-MJGOQNOKSA-N 1 3 319.493 2.361 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001041674122 691408618 /nfs/dbraw/zinc/40/86/18/691408618.db2.gz IEFUPKJGUYNIGL-MJGOQNOKSA-N 1 3 319.493 2.361 20 0 DEADHO COCc1c(C)cc(C)c(C[NH2+]CC2(O)CCN(C)CC2)c1C ZINC000883016877 691411898 /nfs/dbraw/zinc/41/18/98/691411898.db2.gz ORDTXTLNIFIMBF-UHFFFAOYSA-N 1 3 320.477 2.305 20 0 DEADHO CCCC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001041756330 691424944 /nfs/dbraw/zinc/42/49/44/691424944.db2.gz FYUYAOLXRXCLFI-IBGZPJMESA-N 1 3 321.509 2.443 20 0 DEADHO CCCC[N@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001041756330 691424947 /nfs/dbraw/zinc/42/49/47/691424947.db2.gz FYUYAOLXRXCLFI-IBGZPJMESA-N 1 3 321.509 2.443 20 0 DEADHO C[N@@H+]1CC[C@@H](NC[C@H]2CCC3(CCOCC3)CO2)CC1(C)C ZINC000883253059 691465834 /nfs/dbraw/zinc/46/58/34/691465834.db2.gz HDEJXYLBXUGYJU-HZPDHXFCSA-N 1 3 310.482 2.425 20 0 DEADHO C[N@H+]1CC[C@@H](NC[C@H]2CCC3(CCOCC3)CO2)CC1(C)C ZINC000883253059 691465836 /nfs/dbraw/zinc/46/58/36/691465836.db2.gz HDEJXYLBXUGYJU-HZPDHXFCSA-N 1 3 310.482 2.425 20 0 DEADHO CN1CC[C@H]([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000883361501 691489789 /nfs/dbraw/zinc/48/97/89/691489789.db2.gz FIWDWSSSPWTRQE-RCWTZXSCSA-N 1 3 316.314 2.007 20 0 DEADHO C[N@@H+]1CC[C@H](NC[C@H](O)C(F)(F)C(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000883361501 691489790 /nfs/dbraw/zinc/48/97/90/691489790.db2.gz FIWDWSSSPWTRQE-RCWTZXSCSA-N 1 3 316.314 2.007 20 0 DEADHO C[N@H+]1CC[C@H](NC[C@H](O)C(F)(F)C(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000883361501 691489791 /nfs/dbraw/zinc/48/97/91/691489791.db2.gz FIWDWSSSPWTRQE-RCWTZXSCSA-N 1 3 316.314 2.007 20 0 DEADHO CC(C)(C(=O)N1CC[C@H]2CC[N@H+](CC3CC3)[C@H]2C1)N1CCCC1 ZINC001042188911 691533159 /nfs/dbraw/zinc/53/31/59/691533159.db2.gz XLRBRKMBUNHYOZ-SJORKVTESA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)(C(=O)N1CC[C@H]2CC[N@@H+](CC3CC3)[C@H]2C1)N1CCCC1 ZINC001042188911 691533160 /nfs/dbraw/zinc/53/31/60/691533160.db2.gz XLRBRKMBUNHYOZ-SJORKVTESA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000884178033 691674889 /nfs/dbraw/zinc/67/48/89/691674889.db2.gz BADPUXNGXJOCSY-DLBZAZTESA-N 1 3 319.493 2.285 20 0 DEADHO N[C@@H](CC1CC1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000884181459 691676456 /nfs/dbraw/zinc/67/64/56/691676456.db2.gz GQGAKXPAGJRIKS-SFHVURJKSA-N 1 3 315.461 2.416 20 0 DEADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H](N)CC1CC1 ZINC000884186058 691677070 /nfs/dbraw/zinc/67/70/70/691677070.db2.gz PAECTKGFMJTDPO-QGZVFWFLSA-N 1 3 303.450 2.270 20 0 DEADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](N)CC1CC1 ZINC000884186058 691677074 /nfs/dbraw/zinc/67/70/74/691677074.db2.gz PAECTKGFMJTDPO-QGZVFWFLSA-N 1 3 303.450 2.270 20 0 DEADHO [NH3+][C@@H](CC1CC1)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000884189699 691678083 /nfs/dbraw/zinc/67/80/83/691678083.db2.gz LCUXKNUWQAEPCG-ZWKOTPCHSA-N 1 3 315.461 2.457 20 0 DEADHO CN(C)C[C@H](NC(=O)[C@H]([NH3+])CC1CC1)c1ccc(Cl)cc1 ZINC000884313166 691707387 /nfs/dbraw/zinc/70/73/87/691707387.db2.gz XXJSWOZNOYVNDM-CABCVRRESA-N 1 3 309.841 2.186 20 0 DEADHO CC(C)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H](C)C1 ZINC001044795025 691888172 /nfs/dbraw/zinc/88/81/72/691888172.db2.gz ZCYBTHBOLWYSEN-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CCF)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC001044869422 691899876 /nfs/dbraw/zinc/89/98/76/691899876.db2.gz ZKEDFEVQOBIQOY-RHSMWYFYSA-N 1 3 321.440 2.300 20 0 DEADHO CC[NH+]1CCC(C)(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001045647266 692009822 /nfs/dbraw/zinc/00/98/22/692009822.db2.gz YTFPWCDFCDORJL-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001045791010 692028179 /nfs/dbraw/zinc/02/81/79/692028179.db2.gz ZDLHTPAWWWCSRI-FGTMMUONSA-N 1 3 319.493 2.336 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001045791010 692028184 /nfs/dbraw/zinc/02/81/84/692028184.db2.gz ZDLHTPAWWWCSRI-FGTMMUONSA-N 1 3 319.493 2.336 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC ZINC001045789865 692028298 /nfs/dbraw/zinc/02/82/98/692028298.db2.gz WWIBEENSPJUVFY-IKGGRYGDSA-N 1 3 307.482 2.336 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC ZINC001045789865 692028303 /nfs/dbraw/zinc/02/83/03/692028303.db2.gz WWIBEENSPJUVFY-IKGGRYGDSA-N 1 3 307.482 2.336 20 0 DEADHO C[C@@H]1OC[C@]2(CC[C@@H](CNC3CC[NH+](CC4CC4)CC3)O2)[C@H]1C ZINC000886771210 692188248 /nfs/dbraw/zinc/18/82/48/692188248.db2.gz DRXDDRKYVSYIPD-STEAMIEHSA-N 1 3 322.493 2.423 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@]2(C)CC[N@H+](CCCF)C2)c1 ZINC001046851215 692316484 /nfs/dbraw/zinc/31/64/84/692316484.db2.gz DOEROINUAPSQND-GOSISDBHSA-N 1 3 321.440 2.302 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@]2(C)CC[N@@H+](CCCF)C2)c1 ZINC001046851215 692316487 /nfs/dbraw/zinc/31/64/87/692316487.db2.gz DOEROINUAPSQND-GOSISDBHSA-N 1 3 321.440 2.302 20 0 DEADHO CC(C)[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC001048481613 692627438 /nfs/dbraw/zinc/62/74/38/692627438.db2.gz ZWYIRBYWNPTABZ-DOTOQJQBSA-N 1 3 317.477 2.454 20 0 DEADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+](CC4CCCC4)C[C@@H]3C2)CCC1 ZINC001048859971 692711971 /nfs/dbraw/zinc/71/19/71/692711971.db2.gz AWJVYQRQWSUXFE-CALCHBBNSA-N 1 3 319.493 2.051 20 0 DEADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+](CC4CCCC4)C[C@@H]3C2)CCC1 ZINC001048859971 692711974 /nfs/dbraw/zinc/71/19/74/692711974.db2.gz AWJVYQRQWSUXFE-CALCHBBNSA-N 1 3 319.493 2.051 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001049531958 692914441 /nfs/dbraw/zinc/91/44/41/692914441.db2.gz FOSDHTHXDHNDLX-ZACQAIPSSA-N 1 3 309.498 2.438 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001049531958 692914442 /nfs/dbraw/zinc/91/44/42/692914442.db2.gz FOSDHTHXDHNDLX-ZACQAIPSSA-N 1 3 309.498 2.438 20 0 DEADHO CCN1CCN(CCC[NH2+]Cc2ccc(CC(C)C)nc2)CC1 ZINC000893327674 692967273 /nfs/dbraw/zinc/96/72/73/692967273.db2.gz NLFSESWTSYDTFK-UHFFFAOYSA-N 1 3 318.509 2.397 20 0 DEADHO CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCCN1C(C)C ZINC001049766502 692992877 /nfs/dbraw/zinc/99/28/77/692992877.db2.gz LSBGBQSCCMVWRH-BBWFWOEESA-N 1 3 307.482 2.335 20 0 DEADHO CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCCN1C(C)C ZINC001049766502 692992880 /nfs/dbraw/zinc/99/28/80/692992880.db2.gz LSBGBQSCCMVWRH-BBWFWOEESA-N 1 3 307.482 2.335 20 0 DEADHO CO[C@H](C[NH2+][C@@H](CCN(C)C)c1cccnc1)C1CCOCC1 ZINC000896716741 693011126 /nfs/dbraw/zinc/01/11/26/693011126.db2.gz LBCHNRPANDXGBX-ZWKOTPCHSA-N 1 3 321.465 2.106 20 0 DEADHO CCCC[NH+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)CC1 ZINC001050543787 693204424 /nfs/dbraw/zinc/20/44/24/693204424.db2.gz LWFMLSABKGMMQW-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CCCC[NH+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001050544736 693204606 /nfs/dbraw/zinc/20/46/06/693204606.db2.gz VKOWZUNWDBNNEV-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000925235336 693245266 /nfs/dbraw/zinc/24/52/66/693245266.db2.gz SOHIEBRIYILADR-PBWFPOADSA-N 1 3 311.470 2.220 20 0 DEADHO Cc1ncc2c(n1)CC[C@H](N[C@H]1[C@@H]3CCC[NH2+][C@@H]3C1(C)C)C2 ZINC000925535042 693290600 /nfs/dbraw/zinc/29/06/00/693290600.db2.gz BGEBCPUGHJITJX-FSDCSDTHSA-N 1 3 300.450 2.009 20 0 DEADHO Cc1ncc2c(n1)CC[C@H]([NH2+][C@H]1[C@@H]3CCCN[C@@H]3C1(C)C)C2 ZINC000925535042 693290605 /nfs/dbraw/zinc/29/06/05/693290605.db2.gz BGEBCPUGHJITJX-FSDCSDTHSA-N 1 3 300.450 2.009 20 0 DEADHO COc1ccccc1N1CC[C@H](N[C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925554229 693295926 /nfs/dbraw/zinc/29/59/26/693295926.db2.gz ZWXYERNWJZKLJB-RRQGHBQHSA-N 1 3 301.434 2.133 20 0 DEADHO Cc1ccc(N2CCC[C@H](N[C@H]3C[C@@H]([NH3+])CC(C)(C)C3)C2)nn1 ZINC000925619951 693310460 /nfs/dbraw/zinc/31/04/60/693310460.db2.gz CETWBOLCUXKDHM-PMPSAXMXSA-N 1 3 317.481 2.249 20 0 DEADHO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H]2CCNC23CCC3)C1 ZINC000925646504 693316097 /nfs/dbraw/zinc/31/60/97/693316097.db2.gz VPHALQWGBCBRLY-KKUMJFAQSA-N 1 3 309.454 2.118 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000926144571 693404282 /nfs/dbraw/zinc/40/42/82/693404282.db2.gz FMCYXWUKLSYKAX-LSVZVQIISA-N 1 3 323.481 2.173 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@]1(C)CCC[N@H+](CCC2CC2)C1 ZINC001402234506 1162299934 /nfs/dbraw/zinc/29/99/34/1162299934.db2.gz XLUBFCALWFNRGX-SFHVURJKSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@]1(C)CCC[N@@H+](CCC2CC2)C1 ZINC001402234506 1162299937 /nfs/dbraw/zinc/29/99/37/1162299937.db2.gz XLUBFCALWFNRGX-SFHVURJKSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1nc(CCNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)n[nH]1 ZINC001414134408 1152564242 /nfs/dbraw/zinc/56/42/42/1152564242.db2.gz JQWHNOJUNGLGKM-BBRMVZONSA-N 1 3 305.470 2.288 20 0 DEADHO Cc1n[nH]c(CCNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)n1 ZINC001414134408 1152564245 /nfs/dbraw/zinc/56/42/45/1152564245.db2.gz JQWHNOJUNGLGKM-BBRMVZONSA-N 1 3 305.470 2.288 20 0 DEADHO Cc1cccc(CCCN2CC[C@@H]2CNC(=O)CC[NH+](C)C)c1 ZINC001380022775 1152733260 /nfs/dbraw/zinc/73/32/60/1152733260.db2.gz YVTBLVLQMHKGEH-GOSISDBHSA-N 1 3 317.477 2.070 20 0 DEADHO CC(C)CCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001380201872 1152767442 /nfs/dbraw/zinc/76/74/42/1152767442.db2.gz DLYUQWZWYGIXPM-GOSISDBHSA-N 1 3 318.465 2.313 20 0 DEADHO CC(C)CCC[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001380201872 1152767443 /nfs/dbraw/zinc/76/74/43/1152767443.db2.gz DLYUQWZWYGIXPM-GOSISDBHSA-N 1 3 318.465 2.313 20 0 DEADHO C[C@H]1CCN(CC(=O)NC2(C)CC[NH+](CC3CCCC3)CC2)C1 ZINC001380304243 1152785196 /nfs/dbraw/zinc/78/51/96/1152785196.db2.gz FJDUAPOJJQELLY-INIZCTEOSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC(C)([NH2+]C/C=C\Cl)CC1 ZINC001381131415 1152921077 /nfs/dbraw/zinc/92/10/77/1152921077.db2.gz WBOACAIDEBZNBI-YVMONPNESA-N 1 3 301.862 2.050 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC001362630368 1153017856 /nfs/dbraw/zinc/01/78/56/1153017856.db2.gz FKLOISPGYSODMM-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC001362630368 1153017861 /nfs/dbraw/zinc/01/78/61/1153017861.db2.gz FKLOISPGYSODMM-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001362635934 1153020369 /nfs/dbraw/zinc/02/03/69/1153020369.db2.gz ZNNIHDTXTYFQTH-OAGGEKHMSA-N 1 3 309.498 2.343 20 0 DEADHO CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001402901671 1162525961 /nfs/dbraw/zinc/52/59/61/1162525961.db2.gz WHRNZKOHEVXIAL-IAGOWNOFSA-N 1 3 315.461 2.253 20 0 DEADHO CCCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC001363248744 1153292929 /nfs/dbraw/zinc/29/29/29/1153292929.db2.gz ZFSQGVPYBHWGEB-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC1CC[NH+](CC[C@H]2CCCN2C[C@H](O)C2(O)CCCC2)CC1 ZINC001363286858 1153313675 /nfs/dbraw/zinc/31/36/75/1153313675.db2.gz GPDVTAVNXAXCIL-MSOLQXFVSA-N 1 3 324.509 2.239 20 0 DEADHO CC1CCN(CC[C@H]2CCC[N@@H+]2C[C@H](O)C2(O)CCCC2)CC1 ZINC001363286858 1153313682 /nfs/dbraw/zinc/31/36/82/1153313682.db2.gz GPDVTAVNXAXCIL-MSOLQXFVSA-N 1 3 324.509 2.239 20 0 DEADHO CC1CCN(CC[C@H]2CCC[N@H+]2C[C@H](O)C2(O)CCCC2)CC1 ZINC001363286858 1153313687 /nfs/dbraw/zinc/31/36/87/1153313687.db2.gz GPDVTAVNXAXCIL-MSOLQXFVSA-N 1 3 324.509 2.239 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]Cc2ccccc2)C[C@H]1C ZINC001382312924 1153421319 /nfs/dbraw/zinc/42/13/19/1153421319.db2.gz MPYZYYKIVICNJP-NVXWUHKLSA-N 1 3 303.450 2.106 20 0 DEADHO CCC(CC)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC001382371282 1153438004 /nfs/dbraw/zinc/43/80/04/1153438004.db2.gz VFAFRDBJYLOIEU-OAHLLOKOSA-N 1 3 306.454 2.215 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001363516930 1153442541 /nfs/dbraw/zinc/44/25/41/1153442541.db2.gz WTNXCGITXCFTMS-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001382562985 1153471840 /nfs/dbraw/zinc/47/18/40/1153471840.db2.gz VMMAPSZYVIUVIW-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001388758575 1155081739 /nfs/dbraw/zinc/08/17/39/1155081739.db2.gz HHBHGDWLQMFGMI-JKSUJKDBSA-N 1 3 318.465 2.325 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CC1)C1CC1 ZINC001389679672 1155394388 /nfs/dbraw/zinc/39/43/88/1155394388.db2.gz XQYYGOPJWWZZNW-SJORKVTESA-N 1 3 307.482 2.144 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001390156029 1155548189 /nfs/dbraw/zinc/54/81/89/1155548189.db2.gz DGOVOHDADQAVFJ-BBRMVZONSA-N 1 3 318.465 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001390156029 1155548210 /nfs/dbraw/zinc/54/82/10/1155548210.db2.gz DGOVOHDADQAVFJ-BBRMVZONSA-N 1 3 318.465 2.277 20 0 DEADHO CC(C)C[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)N(C)C ZINC001371041569 1155667011 /nfs/dbraw/zinc/66/70/11/1155667011.db2.gz ILKMSKUVRWVSKQ-AVEIZBFRSA-N 1 3 323.525 2.301 20 0 DEADHO CC(C)C[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)N(C)C ZINC001371041569 1155667018 /nfs/dbraw/zinc/66/70/18/1155667018.db2.gz ILKMSKUVRWVSKQ-AVEIZBFRSA-N 1 3 323.525 2.301 20 0 DEADHO CCc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001390395928 1155699909 /nfs/dbraw/zinc/69/99/09/1155699909.db2.gz JNZZXOLCALSDII-QAPCUYQASA-N 1 3 319.493 2.430 20 0 DEADHO Cc1cc(C)cc(C[NH2+][C@@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001390399917 1155700956 /nfs/dbraw/zinc/70/09/56/1155700956.db2.gz LYGLJLGRUMIOGG-INIZCTEOSA-N 1 3 317.477 2.382 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001390405782 1155704087 /nfs/dbraw/zinc/70/40/87/1155704087.db2.gz RPNWTNDZHJWDPZ-KGLIPLIRSA-N 1 3 321.440 2.465 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC1CCCCCC1 ZINC001371362586 1155834134 /nfs/dbraw/zinc/83/41/34/1155834134.db2.gz JXUSFUZPHFYEMZ-HZPDHXFCSA-N 1 3 309.498 2.393 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001371554228 1155871124 /nfs/dbraw/zinc/87/11/24/1155871124.db2.gz CTZKMAJVVBFCCO-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001371610277 1155884038 /nfs/dbraw/zinc/88/40/38/1155884038.db2.gz DOVZXFWNRJFJEQ-RDJZCZTQSA-N 1 3 309.498 2.203 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](CC)C[C@H]1CCC(F)(F)C1)N(C)C ZINC001390966377 1156016195 /nfs/dbraw/zinc/01/61/95/1156016195.db2.gz RQBAXXQTSDVRDR-KBPBESRZSA-N 1 3 319.440 2.200 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](CC)C[C@H]1CCC(F)(F)C1)N(C)C ZINC001390966377 1156016202 /nfs/dbraw/zinc/01/62/02/1156016202.db2.gz RQBAXXQTSDVRDR-KBPBESRZSA-N 1 3 319.440 2.200 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001391395558 1156382058 /nfs/dbraw/zinc/38/20/58/1156382058.db2.gz VDZOUWPKTFMAGK-JKSUJKDBSA-N 1 3 313.461 2.047 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001391395558 1156382062 /nfs/dbraw/zinc/38/20/62/1156382062.db2.gz VDZOUWPKTFMAGK-JKSUJKDBSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CC1CC(C)C1 ZINC001391719687 1156732458 /nfs/dbraw/zinc/73/24/58/1156732458.db2.gz RDXIERKFWDNLLC-GPANFISMSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccccc1 ZINC001391721019 1156739321 /nfs/dbraw/zinc/73/93/21/1156739321.db2.gz OEKUDMWIOOMKDF-NVXWUHKLSA-N 1 3 303.450 2.013 20 0 DEADHO CC[C@H](C(=O)N(C)CC[NH2+][C@@H]1CCc2ccc(F)cc21)N(C)C ZINC001372933348 1156824124 /nfs/dbraw/zinc/82/41/24/1156824124.db2.gz CZFJCGNPAMIMFA-IAGOWNOFSA-N 1 3 321.440 2.201 20 0 DEADHO CC[C@H](C(=O)N(C)CC[NH2+][C@H](C)c1ccc(F)cc1)N(C)C ZINC001372933030 1156824332 /nfs/dbraw/zinc/82/43/32/1156824332.db2.gz CTICPKSQWSODSL-CZUORRHYSA-N 1 3 309.429 2.275 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1C)N(C)C ZINC001392105469 1156868538 /nfs/dbraw/zinc/86/85/38/1156868538.db2.gz ZEYAHRSVNXNTIZ-RDJZCZTQSA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001403243813 1162826114 /nfs/dbraw/zinc/82/61/14/1162826114.db2.gz JOVGNSAFCFWVTA-CABCVRRESA-N 1 3 315.477 2.151 20 0 DEADHO Cc1ccccc1CN(C)CCN(C)C(=O)CCC[NH+](C)C ZINC001392301053 1157004139 /nfs/dbraw/zinc/00/41/39/1157004139.db2.gz UJMNKEBQRKGIJJ-UHFFFAOYSA-N 1 3 305.466 2.227 20 0 DEADHO CCN(CC[NH2+][C@H]1CCc2ccccc21)C(=O)CN(C)C(C)C ZINC001392459961 1157056546 /nfs/dbraw/zinc/05/65/46/1157056546.db2.gz PGWJTAHIEMHCRJ-SFHVURJKSA-N 1 3 317.477 2.452 20 0 DEADHO CN(Cc1cccc(F)c1)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001403320090 1162849739 /nfs/dbraw/zinc/84/97/39/1162849739.db2.gz CTCUWJJHQQCRTQ-KRWDZBQOSA-N 1 3 321.440 2.200 20 0 DEADHO C[C@H](CN(C)Cc1cccc(F)c1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001392724507 1157372505 /nfs/dbraw/zinc/37/25/05/1157372505.db2.gz OPPOJYAEJITDJU-GDBMZVCRSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@H](CN(C)Cc1cccc(F)c1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001392724507 1157372515 /nfs/dbraw/zinc/37/25/15/1157372515.db2.gz OPPOJYAEJITDJU-GDBMZVCRSA-N 1 3 321.440 2.104 20 0 DEADHO CC(C)[NH2+]C[C@H](NC(=O)c1cccc(CN(C)C)c1)C1CC1 ZINC001392800454 1157425204 /nfs/dbraw/zinc/42/52/04/1157425204.db2.gz LVVLEEUMRSVMMT-KRWDZBQOSA-N 1 3 303.450 2.255 20 0 DEADHO CC[C@H](F)C[NH+]1CCC(CCNC(=O)[C@H](CC)N(C)C)CC1 ZINC001373949005 1157492837 /nfs/dbraw/zinc/49/28/37/1157492837.db2.gz JURBOUQMLGOIEP-HOTGVXAUSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1F)N(C)C ZINC001374074641 1157599328 /nfs/dbraw/zinc/59/93/28/1157599328.db2.gz PBBSQGFVGIJOOV-RHSMWYFYSA-N 1 3 323.456 2.254 20 0 DEADHO CC[C@@H](C(=O)NCC1(C)CC[NH+](CCC2CC2)CC1)N(C)C ZINC001393189276 1157747881 /nfs/dbraw/zinc/74/78/81/1157747881.db2.gz XAVNHYCBIMHFAD-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H]([NH2+]CCC1CC1)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001374392740 1157837038 /nfs/dbraw/zinc/83/70/38/1157837038.db2.gz HQIJCPVCVSHJFX-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CCC[N@H+](CC2CCC2)CC1)N(C)C ZINC001393605178 1157878610 /nfs/dbraw/zinc/87/86/10/1157878610.db2.gz YYFYTCJTERLEDN-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC2CCC2)CC1)N(C)C ZINC001393605178 1157878613 /nfs/dbraw/zinc/87/86/13/1157878613.db2.gz YYFYTCJTERLEDN-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1cccc(F)c1)N(C)C ZINC001374935874 1158100887 /nfs/dbraw/zinc/10/08/87/1158100887.db2.gz PDODHCPDPJJQJW-XEZPLFJOSA-N 1 3 309.429 2.321 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)cc1C ZINC001374962687 1158131753 /nfs/dbraw/zinc/13/17/53/1158131753.db2.gz IOVGBQWXIVZUEI-WMZOPIPTSA-N 1 3 319.493 2.484 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cccc(C)c1 ZINC001393999779 1158150279 /nfs/dbraw/zinc/15/02/79/1158150279.db2.gz OVEODGLEAKWZNH-HZPDHXFCSA-N 1 3 305.466 2.320 20 0 DEADHO C[C@@H](NCc1cncs1)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001394010684 1158161270 /nfs/dbraw/zinc/16/12/70/1158161270.db2.gz XOHGZTDAEUPDBK-KGLIPLIRSA-N 1 3 324.494 2.002 20 0 DEADHO CN(C)C1(C(=O)NCC2([NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)CCC1 ZINC001375428205 1158594889 /nfs/dbraw/zinc/59/48/89/1158594889.db2.gz BMJRNBICYJAAQI-OWCLPIDISA-N 1 3 319.493 2.145 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC3CCC3)[C@H]2C1 ZINC001394681039 1158672381 /nfs/dbraw/zinc/67/23/81/1158672381.db2.gz CMGCBBRFLSEQJZ-BZSNNMDCSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)N(CC[N@H+](C)CC1CCCC1)C(=O)CN1CCCC1 ZINC001394812770 1158801443 /nfs/dbraw/zinc/80/14/43/1158801443.db2.gz KHOCQRJKNPOFJU-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)N(CC[N@@H+](C)CC1CCCC1)C(=O)CN1CCCC1 ZINC001394812770 1158801445 /nfs/dbraw/zinc/80/14/45/1158801445.db2.gz KHOCQRJKNPOFJU-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO COC(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)cc1C ZINC001414118750 1158810024 /nfs/dbraw/zinc/81/00/24/1158810024.db2.gz LHSWAAKGTFBZFY-HYVNUMGLSA-N 1 3 302.418 2.211 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]2C1 ZINC001375633417 1158833707 /nfs/dbraw/zinc/83/37/07/1158833707.db2.gz QGBATXXVEIXTPK-SJORKVTESA-N 1 3 323.525 2.401 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]2C1 ZINC001375633417 1158833708 /nfs/dbraw/zinc/83/37/08/1158833708.db2.gz QGBATXXVEIXTPK-SJORKVTESA-N 1 3 323.525 2.401 20 0 DEADHO CCCC[NH+]1CCC2(C[C@H]2NC(=O)C2(N(C)C)CCC2)CC1 ZINC001376176886 1159192398 /nfs/dbraw/zinc/19/23/98/1159192398.db2.gz YRVRYBGAQANHAR-OAHLLOKOSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]([NH2+]CCC1CC1)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001376324975 1159337314 /nfs/dbraw/zinc/33/73/14/1159337314.db2.gz BZJRJXIIXDYVRB-ZBFHGGJFSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1)N(C)C ZINC001376405726 1159391338 /nfs/dbraw/zinc/39/13/38/1159391338.db2.gz ZVIBBOJSDIHDJO-ULQDDVLXSA-N 1 3 303.450 2.010 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001376405442 1159391755 /nfs/dbraw/zinc/39/17/55/1159391755.db2.gz XTGTXXTXHALYDN-MGPQQGTHSA-N 1 3 317.424 2.000 20 0 DEADHO C[C@@H](CN(C)C(=O)CN(C)CC(C)(C)C)[NH2+]CC1CC(C)C1 ZINC001403597066 1163035428 /nfs/dbraw/zinc/03/54/28/1163035428.db2.gz RUYKTROQMOCTLN-PCKAHOCUSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001376512037 1159490388 /nfs/dbraw/zinc/49/03/88/1159490388.db2.gz LVZRUSRPRAKXKQ-XYPHTWIQSA-N 1 3 321.440 2.464 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NC[C@H]1CCCC[N@@H+]1CC1CC1 ZINC001376572609 1159556669 /nfs/dbraw/zinc/55/66/69/1159556669.db2.gz FOFKGUDRCOHDGO-CVEARBPZSA-N 1 3 313.461 2.047 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NC[C@H]1CCCC[N@H+]1CC1CC1 ZINC001376572609 1159556686 /nfs/dbraw/zinc/55/66/86/1159556686.db2.gz FOFKGUDRCOHDGO-CVEARBPZSA-N 1 3 313.461 2.047 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2CCC[C@@H]([NH2+]CC3CCC3)C2)CCC1 ZINC001376957840 1159856735 /nfs/dbraw/zinc/85/67/35/1159856735.db2.gz GXGSKOVEYIOCLT-CVEARBPZSA-N 1 3 307.482 2.288 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCC(C)(C)C)C1)N(C)C ZINC001397122371 1160003464 /nfs/dbraw/zinc/00/34/64/1160003464.db2.gz NMQIXHIWTKLJFX-JYJNAYRXSA-N 1 3 311.514 2.493 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001397128610 1160007400 /nfs/dbraw/zinc/00/74/00/1160007400.db2.gz JAEDMULTBLILCS-BRSBDYLESA-N 1 3 323.525 2.495 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001397168293 1160029712 /nfs/dbraw/zinc/02/97/12/1160029712.db2.gz HJLKIZOWWWHMAS-QWHCGFSZSA-N 1 3 323.403 2.155 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCCC2CCC2)C1)N(C)C ZINC001377468373 1160396868 /nfs/dbraw/zinc/39/68/68/1160396868.db2.gz MCWBGWNANRJNMS-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCCC2CCC2)C1)N(C)C ZINC001377468373 1160396876 /nfs/dbraw/zinc/39/68/76/1160396876.db2.gz MCWBGWNANRJNMS-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CC=C(Cl)Cl ZINC001377487946 1160420386 /nfs/dbraw/zinc/42/03/86/1160420386.db2.gz CUYBQKJTLHMJBF-RYUDHWBXSA-N 1 3 322.280 2.132 20 0 DEADHO C[C@H](c1ccc(F)cc1)N(C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001403731047 1163120977 /nfs/dbraw/zinc/12/09/77/1163120977.db2.gz IQBOTTNERZONIS-HUUCEWRRSA-N 1 3 321.440 2.277 20 0 DEADHO C[C@H](c1ccc(F)cc1)N(C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001403731047 1163120982 /nfs/dbraw/zinc/12/09/82/1163120982.db2.gz IQBOTTNERZONIS-HUUCEWRRSA-N 1 3 321.440 2.277 20 0 DEADHO Cc1cccc(C)c1CN(CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001377555887 1160542080 /nfs/dbraw/zinc/54/20/80/1160542080.db2.gz SZLTVHDJHQTLFJ-UHFFFAOYSA-N 1 3 317.477 2.336 20 0 DEADHO CN(Cc1cccc(F)c1)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001377660433 1160689576 /nfs/dbraw/zinc/68/95/76/1160689576.db2.gz IJPPWXYVKIAAAB-KRWDZBQOSA-N 1 3 321.440 2.200 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2F)[C@H]1C ZINC001403762903 1163148299 /nfs/dbraw/zinc/14/82/99/1163148299.db2.gz GLYNWUQCFAXDHQ-PBHICJAKSA-N 1 3 321.440 2.247 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC001377829027 1160841244 /nfs/dbraw/zinc/84/12/44/1160841244.db2.gz RLOQNCUJNMVOOI-UONOGXRCSA-N 1 3 321.440 2.293 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccsc2)C[C@H]1C ZINC001403767407 1163157826 /nfs/dbraw/zinc/15/78/26/1163157826.db2.gz ZDXCPFYJXWTKIR-HIFRSBDPSA-N 1 3 309.479 2.169 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)[C@H]1C ZINC001403771839 1163165255 /nfs/dbraw/zinc/16/52/55/1163165255.db2.gz PVHWJBMEHAYDGA-ZBFHGGJFSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)C/C=C\c1ccccc1)N(C)C ZINC001378129660 1161040780 /nfs/dbraw/zinc/04/07/80/1161040780.db2.gz KFNXFTDMSBEIGU-JBOJFFHUSA-N 1 3 317.477 2.477 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)C/C=C\c1ccccc1)N(C)C ZINC001378129660 1161040789 /nfs/dbraw/zinc/04/07/89/1161040789.db2.gz KFNXFTDMSBEIGU-JBOJFFHUSA-N 1 3 317.477 2.477 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001398968311 1161171446 /nfs/dbraw/zinc/17/14/46/1161171446.db2.gz WNZIORFRBNYGKQ-OCCSQVGLSA-N 1 3 317.424 2.000 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CNC(=O)CN2CC[C@@H](C)C2)cc1F ZINC001399023132 1161193803 /nfs/dbraw/zinc/19/38/03/1161193803.db2.gz KPGXLSFMNUDFDJ-UKRRQHHQSA-N 1 3 321.440 2.070 20 0 DEADHO CN(CCNC(=O)CC[NH+](C)C)[C@H]1CCc2ccc(Cl)cc21 ZINC001399572026 1161461016 /nfs/dbraw/zinc/46/10/16/1161461016.db2.gz RDBQPVHVPKCFOH-INIZCTEOSA-N 1 3 323.868 2.327 20 0 DEADHO CC(C)[C@H](C(=O)NCC[N@H+](CC1CC(C)C1)C1CC1)N(C)C ZINC001400027840 1161636435 /nfs/dbraw/zinc/63/64/35/1161636435.db2.gz ZMWJLYPJWXCEOP-VMBOVVBDSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)[C@H](C(=O)NCC[N@@H+](CC1CC(C)C1)C1CC1)N(C)C ZINC001400027840 1161636439 /nfs/dbraw/zinc/63/64/39/1161636439.db2.gz ZMWJLYPJWXCEOP-VMBOVVBDSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]CC1CC(C)(C)C1)N(C)C ZINC001401144253 1161882211 /nfs/dbraw/zinc/88/22/11/1161882211.db2.gz KVJBJMBEBHPVJB-ZBFHGGJFSA-N 1 3 311.514 2.351 20 0 DEADHO C[C@@H](C[NH2+]Cc1ccc(Cl)cc1)N(C)C(=O)CN1CCCC1 ZINC001401260790 1161908052 /nfs/dbraw/zinc/90/80/52/1161908052.db2.gz OTIXPZAQLINOGO-AWEZNQCLSA-N 1 3 323.868 2.372 20 0 DEADHO Cc1ccc(C)c(C[NH2+]C[C@H](C)NC(=O)CN2CC[C@H](C)C2)c1 ZINC001401707408 1162085406 /nfs/dbraw/zinc/08/54/06/1162085406.db2.gz KZTXQCJLKMDOBL-RDJZCZTQSA-N 1 3 317.477 2.240 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1)N(C)C ZINC001401936440 1162188932 /nfs/dbraw/zinc/18/89/32/1162188932.db2.gz MMFUCOREOWIBTE-HOTGVXAUSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+]1CC1CC(C)(C)C1)N(C)C ZINC001401936440 1162188937 /nfs/dbraw/zinc/18/89/37/1162188937.db2.gz MMFUCOREOWIBTE-HOTGVXAUSA-N 1 3 309.498 2.199 20 0 DEADHO C[NH+](C)CCC(=O)NCC1(N[C@H]2CCc3c2cccc3F)CC1 ZINC001401960731 1162197795 /nfs/dbraw/zinc/19/77/95/1162197795.db2.gz HZJZJPWRPRMERC-INIZCTEOSA-N 1 3 319.424 2.003 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2ccccc2C)C1 ZINC001402093513 1162245054 /nfs/dbraw/zinc/24/50/54/1162245054.db2.gz SVWJDSJHBLPGJI-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2ccccc2C)C1 ZINC001402093513 1162245059 /nfs/dbraw/zinc/24/50/59/1162245059.db2.gz SVWJDSJHBLPGJI-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO CCC[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001403974593 1163344272 /nfs/dbraw/zinc/34/42/72/1163344272.db2.gz NWDXUYHSKNAXTK-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](F)C[N@@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001404494642 1163681611 /nfs/dbraw/zinc/68/16/11/1163681611.db2.gz BGVIHTPMTCHBGC-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](F)C[N@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001404494642 1163681621 /nfs/dbraw/zinc/68/16/21/1163681621.db2.gz BGVIHTPMTCHBGC-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cccc(C)c1 ZINC001405409598 1164075976 /nfs/dbraw/zinc/07/59/76/1164075976.db2.gz YVKFPECFHHVTNS-QGZVFWFLSA-N 1 3 317.477 2.464 20 0 DEADHO CC[C@H](C)C[NH2+]C[C@](C)(NC(=O)Cc1nc[nH]c1C)C1CC1 ZINC001405466124 1164105760 /nfs/dbraw/zinc/10/57/60/1164105760.db2.gz MWBMHGFDDJEINI-SJCJKPOMSA-N 1 3 306.454 2.181 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001405670610 1164180417 /nfs/dbraw/zinc/18/04/17/1164180417.db2.gz RLESJQMWLXSDKO-SUMWQHHRSA-N 1 3 323.456 2.316 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)c1cccc(F)c1 ZINC001406422084 1164586240 /nfs/dbraw/zinc/58/62/40/1164586240.db2.gz NXIDKMNYSGGJCZ-KGLIPLIRSA-N 1 3 309.429 2.323 20 0 DEADHO C[C@@H](C[N@H+](C)CCc1ccccc1)NC(=O)CN(C)C1CCC1 ZINC001406629685 1164745942 /nfs/dbraw/zinc/74/59/42/1164745942.db2.gz FTRBLNRRHHEQAZ-INIZCTEOSA-N 1 3 317.477 2.150 20 0 DEADHO C[C@@H](C[N@@H+](C)CCc1ccccc1)NC(=O)CN(C)C1CCC1 ZINC001406629685 1164745947 /nfs/dbraw/zinc/74/59/47/1164745947.db2.gz FTRBLNRRHHEQAZ-INIZCTEOSA-N 1 3 317.477 2.150 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(C)cc1)N(C)C ZINC001406661091 1164773411 /nfs/dbraw/zinc/77/34/11/1164773411.db2.gz GNWILGLOTSGOHK-RDJZCZTQSA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(C)cc1)N(C)C ZINC001406661091 1164773413 /nfs/dbraw/zinc/77/34/13/1164773413.db2.gz GNWILGLOTSGOHK-RDJZCZTQSA-N 1 3 305.466 2.272 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CC(C)C2)CC1 ZINC001406915583 1164882609 /nfs/dbraw/zinc/88/26/09/1164882609.db2.gz FCBZZKCBYHYYNE-UYSNPLJNSA-N 1 3 307.482 2.144 20 0 DEADHO Cc1ccc(C[NH2+]C2(CNC(=O)CN(C)C(C)C)CCC2)cc1 ZINC001407821988 1165330159 /nfs/dbraw/zinc/33/01/59/1165330159.db2.gz MTPYWUDBPUJJCR-UHFFFAOYSA-N 1 3 317.477 2.464 20 0 DEADHO CC[C@@H](F)C[N@@H+]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001407863825 1165353113 /nfs/dbraw/zinc/35/31/13/1165353113.db2.gz ZGYQDLONQAJEOD-HUUCEWRRSA-N 1 3 313.461 2.190 20 0 DEADHO CC[C@@H](F)C[N@H+]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001407863825 1165353121 /nfs/dbraw/zinc/35/31/21/1165353121.db2.gz ZGYQDLONQAJEOD-HUUCEWRRSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CCc1cccs1 ZINC001408197930 1165528900 /nfs/dbraw/zinc/52/89/00/1165528900.db2.gz IYOUFIXYPCDREP-AWEZNQCLSA-N 1 3 323.506 2.259 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]([C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001408358153 1165613238 /nfs/dbraw/zinc/61/32/38/1165613238.db2.gz OFSCMJQVEGBLSX-ZWKOTPCHSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]([C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001408358153 1165613245 /nfs/dbraw/zinc/61/32/45/1165613245.db2.gz OFSCMJQVEGBLSX-ZWKOTPCHSA-N 1 3 321.509 2.297 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC12CC[NH+](C[C@H](C)CC)CC2 ZINC001417960220 1167327996 /nfs/dbraw/zinc/32/79/96/1167327996.db2.gz ZYZHLZRYLFDGGX-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C/C=C\Cl)C1 ZINC001418070723 1167394514 /nfs/dbraw/zinc/39/45/14/1167394514.db2.gz IFCYDAVUAIRXIP-MLRXNPTLSA-N 1 3 313.873 2.239 20 0 DEADHO C[C@H](CC[NH+](C)C)C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC001418356404 1167591086 /nfs/dbraw/zinc/59/10/86/1167591086.db2.gz LIQIUQLSPVCQNM-APWZRJJASA-N 1 3 317.477 2.355 20 0 DEADHO CC(C)[NH2+]CCc1ccc(CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001418359857 1167595096 /nfs/dbraw/zinc/59/50/96/1167595096.db2.gz OWSCEZCGAZBDCF-INIZCTEOSA-N 1 3 317.477 2.185 20 0 DEADHO CCc1cccc(C[N@H+](C)CCNC(=O)CN(C)C2CCC2)c1 ZINC001418465030 1167678449 /nfs/dbraw/zinc/67/84/49/1167678449.db2.gz KGAGWVVHTPCCDR-UHFFFAOYSA-N 1 3 317.477 2.281 20 0 DEADHO CCc1cccc(C[N@@H+](C)CCNC(=O)CN(C)C2CCC2)c1 ZINC001418465030 1167678452 /nfs/dbraw/zinc/67/84/52/1167678452.db2.gz KGAGWVVHTPCCDR-UHFFFAOYSA-N 1 3 317.477 2.281 20 0 DEADHO CN(CCNC(=O)CC[NH+](C)C)[C@H]1CCCc2ccc(F)cc21 ZINC001418492459 1167707344 /nfs/dbraw/zinc/70/73/44/1167707344.db2.gz SFELDBPHFZJRFW-KRWDZBQOSA-N 1 3 321.440 2.203 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CC2CCCCC2)C1)N(C)C ZINC001418674491 1167877464 /nfs/dbraw/zinc/87/74/64/1167877464.db2.gz RAOXNDKWILXWJC-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](CC2CCCCC2)C1)N(C)C ZINC001418674491 1167877465 /nfs/dbraw/zinc/87/74/65/1167877465.db2.gz RAOXNDKWILXWJC-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([C@@H](C)[NH2+]C/C=C\Cl)CC1 ZINC001418841007 1168002217 /nfs/dbraw/zinc/00/22/17/1168002217.db2.gz CXPBTQSUTDHRKZ-BMWLXYDHSA-N 1 3 315.889 2.296 20 0 DEADHO C[C@@H]([NH2+]C/C=C/Cl)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001418845498 1168004326 /nfs/dbraw/zinc/00/43/26/1168004326.db2.gz NMIDXSMKIIBXCB-DJRXTCLHSA-N 1 3 313.873 2.050 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC2C[NH+](CCC3CCCCC3)C2)C1 ZINC001419032159 1168146159 /nfs/dbraw/zinc/14/61/59/1168146159.db2.gz SFFKUUPCBGCDFJ-MRXNPFEDSA-N 1 3 321.509 2.347 20 0 DEADHO CC[C@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1cccc(F)c1 ZINC001419256294 1168351383 /nfs/dbraw/zinc/35/13/83/1168351383.db2.gz GIMTYBOWVPSQRC-CVEARBPZSA-N 1 3 309.429 2.150 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2c(C)cccc2C)C1)N(C)C ZINC001419510366 1168556826 /nfs/dbraw/zinc/55/68/26/1168556826.db2.gz CEDNWARSNVSEEP-JZXOWHBKSA-N 1 3 317.477 2.380 20 0 DEADHO CC[N@H+](C)CCC(=O)NCC1(NCc2ccns2)CCCC1 ZINC001419623265 1168700021 /nfs/dbraw/zinc/70/00/21/1168700021.db2.gz QGAAIMJGUHFRDU-UHFFFAOYSA-N 1 3 324.494 2.004 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCC1(NCc2ccns2)CCCC1 ZINC001419623265 1168700034 /nfs/dbraw/zinc/70/00/34/1168700034.db2.gz QGAAIMJGUHFRDU-UHFFFAOYSA-N 1 3 324.494 2.004 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCN2C)c(C)c1 ZINC001419652792 1168758627 /nfs/dbraw/zinc/75/86/27/1168758627.db2.gz PTZVUDOPOVYIDW-FUHWJXTLSA-N 1 3 317.477 2.334 20 0 DEADHO C[C@H](C[NH2+]Cc1cccc(Cl)c1)N(C)C(=O)[C@H]1CCCN1C ZINC001419698230 1168806791 /nfs/dbraw/zinc/80/67/91/1168806791.db2.gz IOJNCXFVCDLJLK-CZUORRHYSA-N 1 3 323.868 2.371 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)cc1C ZINC001419843685 1168870224 /nfs/dbraw/zinc/87/02/24/1168870224.db2.gz SYRATMHBPIGSEZ-FUHWJXTLSA-N 1 3 319.493 2.484 20 0 DEADHO C[C@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CC=C(Cl)Cl ZINC001420128400 1169181649 /nfs/dbraw/zinc/18/16/49/1169181649.db2.gz CUYBQKJTLHMJBF-NWDGAFQWSA-N 1 3 322.280 2.132 20 0 DEADHO C[C@H](c1ccccc1)[N@H+](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001420296628 1169332764 /nfs/dbraw/zinc/33/27/64/1169332764.db2.gz QYIAHHPJHOIJHU-HZPDHXFCSA-N 1 3 303.450 2.137 20 0 DEADHO C[C@H](c1ccccc1)[N@@H+](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001420296628 1169332774 /nfs/dbraw/zinc/33/27/74/1169332774.db2.gz QYIAHHPJHOIJHU-HZPDHXFCSA-N 1 3 303.450 2.137 20 0 DEADHO CCc1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](CC)N(C)C)c1 ZINC001420311348 1169347133 /nfs/dbraw/zinc/34/71/33/1169347133.db2.gz QJVHQUJINDOKHE-RHSMWYFYSA-N 1 3 305.466 2.184 20 0 DEADHO C[C@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)CN1CC[C@@H](C)C1 ZINC001420339218 1169377513 /nfs/dbraw/zinc/37/75/13/1169377513.db2.gz PULJGQLPQVPVME-HUUCEWRRSA-N 1 3 307.482 2.003 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@@H]2CC[N@H+](CCC3CCCC3)C2)C1 ZINC001420551905 1169781498 /nfs/dbraw/zinc/78/14/98/1169781498.db2.gz VIUVWCXOATVDDU-WMZOPIPTSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@@H]2CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001420551905 1169781503 /nfs/dbraw/zinc/78/15/03/1169781503.db2.gz VIUVWCXOATVDDU-WMZOPIPTSA-N 1 3 321.509 2.347 20 0 DEADHO CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCN1C(C)C)c1ccccc1 ZINC001420758733 1171118743 /nfs/dbraw/zinc/11/87/43/1171118743.db2.gz FOXNGFBGXRXRKV-IRXDYDNUSA-N 1 3 303.450 2.326 20 0 DEADHO CC[C@H](C)C[N@@H+]1CC[C@@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001420886698 1171320678 /nfs/dbraw/zinc/32/06/78/1171320678.db2.gz JJEBRMSKUGFJHR-DZGCQCFKSA-N 1 3 306.454 2.135 20 0 DEADHO CC[C@H](C)C[N@H+]1CC[C@@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001420886698 1171320685 /nfs/dbraw/zinc/32/06/85/1171320685.db2.gz JJEBRMSKUGFJHR-DZGCQCFKSA-N 1 3 306.454 2.135 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001421759602 1171972032 /nfs/dbraw/zinc/97/20/32/1171972032.db2.gz OLZVZPQICSQBGS-WBVHZDCISA-N 1 3 323.525 2.495 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+]CC1CCC(C)CC1 ZINC001421771253 1171983714 /nfs/dbraw/zinc/98/37/14/1171983714.db2.gz WFWUAARHRBJPKS-CGZBRXJRSA-N 1 3 311.514 2.495 20 0 DEADHO CCCCN1Cc2ccc(CNC(=O)CC[NH+](C)C)cc2C1 ZINC001422014208 1172232815 /nfs/dbraw/zinc/23/28/15/1172232815.db2.gz YCBIYOYRUAJFPJ-UHFFFAOYSA-N 1 3 303.450 2.370 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]([NH2+]CC1CC(C)(C)C1)C(C)C ZINC001422141500 1172337601 /nfs/dbraw/zinc/33/76/01/1172337601.db2.gz QBWXBCLHCGGDEK-MRXNPFEDSA-N 1 3 320.481 2.427 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001422268303 1172451096 /nfs/dbraw/zinc/45/10/96/1172451096.db2.gz IYMYSCXOMYIWRA-JKSUJKDBSA-N 1 3 311.514 2.495 20 0 DEADHO CCCC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001422722400 1172830169 /nfs/dbraw/zinc/83/01/69/1172830169.db2.gz AQQONKNHIAWKHD-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCc2ccccc2)[C@H]1C ZINC001423334807 1173256292 /nfs/dbraw/zinc/25/62/92/1173256292.db2.gz ZJUYKBLFVRJNCE-SJLPKXTDSA-N 1 3 317.477 2.150 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CCC(F)(F)F)CN1C(=O)CN(C)C1CCC1 ZINC001423340764 1173264648 /nfs/dbraw/zinc/26/46/48/1173264648.db2.gz XCJHUOCFPCSMFA-RYUDHWBXSA-N 1 3 321.387 2.002 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001423637427 1173459979 /nfs/dbraw/zinc/45/99/79/1173459979.db2.gz JHKQPYZUMYVXKX-ZBFHGGJFSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccsc2)C1)N(C)C ZINC001423683257 1173488009 /nfs/dbraw/zinc/48/80/09/1173488009.db2.gz SZMPSNADYVMAOC-GPANFISMSA-N 1 3 323.506 2.413 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1C[N@@H+](C(C)C)CCC1(F)F)N(C)C ZINC001423721747 1173511297 /nfs/dbraw/zinc/51/12/97/1173511297.db2.gz AAGMGBLUIGBVHV-KBPBESRZSA-N 1 3 319.440 2.054 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1C[N@H+](C(C)C)CCC1(F)F)N(C)C ZINC001423721747 1173511300 /nfs/dbraw/zinc/51/13/00/1173511300.db2.gz AAGMGBLUIGBVHV-KBPBESRZSA-N 1 3 319.440 2.054 20 0 DEADHO C[C@@H]([NH2+]Cc1cccc(F)c1)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001424789949 1173933269 /nfs/dbraw/zinc/93/32/69/1173933269.db2.gz GPRXWKVFZNHFBU-KGLIPLIRSA-N 1 3 321.440 2.293 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)Cc1ccc(Cl)cc1 ZINC001425066411 1174160925 /nfs/dbraw/zinc/16/09/25/1174160925.db2.gz HDVWFFBGQJHJSO-UKRRQHHQSA-N 1 3 323.868 2.228 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)Cc1ccc(Cl)cc1 ZINC001425066411 1174160932 /nfs/dbraw/zinc/16/09/32/1174160932.db2.gz HDVWFFBGQJHJSO-UKRRQHHQSA-N 1 3 323.868 2.228 20 0 DEADHO CC(C)[C@H](CCN(C)C(=O)Cc1c[nH]cn1)[NH2+]C/C=C\Cl ZINC001425146572 1174195402 /nfs/dbraw/zinc/19/54/02/1174195402.db2.gz DBAALNCUEKRXPL-SDQPKGBYSA-N 1 3 312.845 2.167 20 0 DEADHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1csc(C)c1)N(C)C ZINC001425593805 1174388753 /nfs/dbraw/zinc/38/87/53/1174388753.db2.gz KATPLABOZZSDPP-SWLSCSKDSA-N 1 3 311.495 2.333 20 0 DEADHO Cc1ccc(F)c(CN[C@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001425688413 1174461145 /nfs/dbraw/zinc/46/11/45/1174461145.db2.gz WMVXERXRBKJAAI-HUUCEWRRSA-N 1 3 321.440 2.022 20 0 DEADHO Cc1ccc(F)c(CN[C@H](C)CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001425688413 1174461147 /nfs/dbraw/zinc/46/11/47/1174461147.db2.gz WMVXERXRBKJAAI-HUUCEWRRSA-N 1 3 321.440 2.022 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCc2ccccc2)C[C@H]1C ZINC001425911438 1174509705 /nfs/dbraw/zinc/50/97/05/1174509705.db2.gz KFDZFYPSIDKIAA-AEFFLSMTSA-N 1 3 317.477 2.150 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]CCC(F)(F)F)C(C)(C)C1)N(C)C ZINC001425966441 1174541362 /nfs/dbraw/zinc/54/13/62/1174541362.db2.gz XGMRISDLHRGLNX-VXGBXAGGSA-N 1 3 323.403 2.106 20 0 DEADHO CC[C@H](C(=O)N(C)C1CC([NH2+]CCc2ccccc2)C1)N(C)C ZINC001426226513 1174660023 /nfs/dbraw/zinc/66/00/23/1174660023.db2.gz LHUCPYCUWIKWLG-DAWZGUTISA-N 1 3 317.477 2.148 20 0 DEADHO CN(C)CC(C)(C)C[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC001434498967 1178677618 /nfs/dbraw/zinc/67/76/18/1178677618.db2.gz GOYBGXQDBOACLP-UHFFFAOYSA-N 1 3 305.401 2.084 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C/C=C/Cl)C1 ZINC001436383373 1179071790 /nfs/dbraw/zinc/07/17/90/1179071790.db2.gz DVFQCOLBDHSRJM-CEKYNELTSA-N 1 3 313.873 2.098 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C1CC[NH+](CC2CCCC2)CC1 ZINC001436708099 1179197764 /nfs/dbraw/zinc/19/77/64/1179197764.db2.gz UMXNVZPIJCMEGR-UHFFFAOYSA-N 1 3 309.498 2.440 20 0 DEADHO Cc1cccc(CN2CC[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001436730071 1179206608 /nfs/dbraw/zinc/20/66/08/1179206608.db2.gz KFHXEBKKQVLPRO-KRWDZBQOSA-N 1 3 303.450 2.027 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H](NC/C=C\Cl)C1)[NH+](CC)CC ZINC001436875710 1179286451 /nfs/dbraw/zinc/28/64/51/1179286451.db2.gz LBKXPBJNWYZZNM-VTLBSYCISA-N 1 3 301.862 2.050 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001436974353 1179324832 /nfs/dbraw/zinc/32/48/32/1179324832.db2.gz BXGBTBXZDZWZNZ-IXDOHACOSA-N 1 3 321.440 2.149 20 0 DEADHO C[C@H](F)CCN(C)CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001437500469 1179826023 /nfs/dbraw/zinc/82/60/23/1179826023.db2.gz XRMDECJMQJZDHS-HNNXBMFYSA-N 1 3 315.477 2.295 20 0 DEADHO CN(CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)Cc1ccccc1 ZINC001437542789 1179840964 /nfs/dbraw/zinc/84/09/64/1179840964.db2.gz VDLAYLQOTWLFIE-ROUUACIJSA-N 1 3 317.477 2.355 20 0 DEADHO CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)CC1CC2(CCC2)C1 ZINC001437626912 1179868916 /nfs/dbraw/zinc/86/89/16/1179868916.db2.gz UDWMXVPASNUBHZ-INIZCTEOSA-N 1 3 321.509 2.347 20 0 DEADHO CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)CC1CC2(CCC2)C1 ZINC001437626912 1179868917 /nfs/dbraw/zinc/86/89/17/1179868917.db2.gz UDWMXVPASNUBHZ-INIZCTEOSA-N 1 3 321.509 2.347 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](CC)Cc1cccc(C)c1)N(C)C ZINC001437626339 1179868932 /nfs/dbraw/zinc/86/89/32/1179868932.db2.gz PRTSBSRKQVDUJT-KRWDZBQOSA-N 1 3 305.466 2.273 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](CC)Cc1cccc(C)c1)N(C)C ZINC001437626339 1179868934 /nfs/dbraw/zinc/86/89/34/1179868934.db2.gz PRTSBSRKQVDUJT-KRWDZBQOSA-N 1 3 305.466 2.273 20 0 DEADHO CCCC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001437708091 1179895730 /nfs/dbraw/zinc/89/57/30/1179895730.db2.gz PWRUMJDRGQEHON-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CCCC[N@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001437708091 1179895732 /nfs/dbraw/zinc/89/57/32/1179895732.db2.gz PWRUMJDRGQEHON-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC001437721775 1179902042 /nfs/dbraw/zinc/90/20/42/1179902042.db2.gz KXJHXOWTXUTHCS-CQSZACIVSA-N 1 3 323.868 2.230 20 0 DEADHO CCCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1ccsc1 ZINC001437751984 1179942931 /nfs/dbraw/zinc/94/29/31/1179942931.db2.gz LSTRQVHBIJJAIO-GDBMZVCRSA-N 1 3 323.506 2.417 20 0 DEADHO CCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1ccsc1 ZINC001437751984 1179942942 /nfs/dbraw/zinc/94/29/42/1179942942.db2.gz LSTRQVHBIJJAIO-GDBMZVCRSA-N 1 3 323.506 2.417 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)c1cccc(C)c1 ZINC001439172856 1180911813 /nfs/dbraw/zinc/91/18/13/1180911813.db2.gz COBREYKKKIKPCN-CVEARBPZSA-N 1 3 305.466 2.492 20 0 DEADHO C[C@H](C[N@H+](C)CCC1CC1)NC(=O)C(C)(C)N1CCCCC1 ZINC001439324992 1181022404 /nfs/dbraw/zinc/02/24/04/1181022404.db2.gz JKPKDGXOGOAMAZ-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](C[N@@H+](C)CCC1CC1)NC(=O)C(C)(C)N1CCCCC1 ZINC001439324992 1181022407 /nfs/dbraw/zinc/02/24/07/1181022407.db2.gz JKPKDGXOGOAMAZ-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CN(CC(=O)NCC1([NH2+]Cc2cccc(F)c2)CC1)C1CCC1 ZINC001439624779 1181173832 /nfs/dbraw/zinc/17/38/32/1181173832.db2.gz ZYVVWMPSQCSKFL-UHFFFAOYSA-N 1 3 319.424 2.048 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@]2(CC[N@H+](CC3CCCC3)C2)C1 ZINC001439720185 1181209516 /nfs/dbraw/zinc/20/95/16/1181209516.db2.gz WORHPLXSLJSLLD-IBGZPJMESA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@]2(CC[N@@H+](CC3CCCC3)C2)C1 ZINC001439720185 1181209520 /nfs/dbraw/zinc/20/95/20/1181209520.db2.gz WORHPLXSLJSLLD-IBGZPJMESA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001440136014 1181364974 /nfs/dbraw/zinc/36/49/74/1181364974.db2.gz MSGBBNKAVSVBFW-RDJZCZTQSA-N 1 3 323.525 2.447 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCC(C)C)C1 ZINC001440412075 1181494791 /nfs/dbraw/zinc/49/47/91/1181494791.db2.gz PPMCHXZEUTYQOD-LSDHHAIUSA-N 1 3 306.454 2.181 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)CC[N@@H+]1CC1CCC1 ZINC001440649693 1181626725 /nfs/dbraw/zinc/62/67/25/1181626725.db2.gz KHRKACUSYLBWSP-GDBMZVCRSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)CC[N@H+]1CC1CCC1 ZINC001440649693 1181626730 /nfs/dbraw/zinc/62/67/30/1181626730.db2.gz KHRKACUSYLBWSP-GDBMZVCRSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H](CNC(=O)CCC[NH+](C)C)N(C)Cc1cccc(F)c1 ZINC001440955776 1181796685 /nfs/dbraw/zinc/79/66/85/1181796685.db2.gz CNGAHAMGBWCFOE-CQSZACIVSA-N 1 3 309.429 2.104 20 0 DEADHO CC(C)C[NH2+][C@H](CNC(=O)C(C)(C)N1CCCCC1)C1CC1 ZINC001441201894 1181893046 /nfs/dbraw/zinc/89/30/46/1181893046.db2.gz XAPMSZZGNFOHJS-MRXNPFEDSA-N 1 3 309.498 2.391 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]C/C=C/Cl)C1CC1 ZINC001441203171 1181893679 /nfs/dbraw/zinc/89/36/79/1181893679.db2.gz NTVVCCGIJKLSQK-GMLRFVCHSA-N 1 3 313.873 2.098 20 0 DEADHO [NH3+]CC1(CCNCc2ncc(Br)cc2F)CC1 ZINC001580244204 1181898384 /nfs/dbraw/zinc/89/83/84/1181898384.db2.gz MUYSUFKPEBMZBP-UHFFFAOYSA-N 1 3 302.191 2.202 20 0 DEADHO CN(CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CCC2)C1)CC(C)(C)C ZINC001441366522 1181959020 /nfs/dbraw/zinc/95/90/20/1181959020.db2.gz RMNWFYIRFMCHSC-WKILWMFISA-N 1 3 309.498 2.249 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CC3CC(C)(C)C3)C2)CCC1 ZINC001441385645 1181968484 /nfs/dbraw/zinc/96/84/84/1181968484.db2.gz QVLJJYOLDGOBGX-SHTZXODSSA-N 1 3 307.482 2.144 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001441388322 1181971670 /nfs/dbraw/zinc/97/16/70/1181971670.db2.gz ZVGHRJTWZQGVKI-BZUAXINKSA-N 1 3 309.498 2.390 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1)N(C)C ZINC001441403993 1181979499 /nfs/dbraw/zinc/97/94/99/1181979499.db2.gz ZSYLZUDZUAUWNE-SWHNLWLKSA-N 1 3 309.498 2.390 20 0 DEADHO CCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)CCC)C1 ZINC001441477012 1182013831 /nfs/dbraw/zinc/01/38/31/1182013831.db2.gz MQGCKZMDWFOQMA-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)CCC)C1 ZINC001441477012 1182013838 /nfs/dbraw/zinc/01/38/38/1182013838.db2.gz MQGCKZMDWFOQMA-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO Cc1ccc(F)c(CN[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@H]2C)c1 ZINC001441823439 1182176865 /nfs/dbraw/zinc/17/68/65/1182176865.db2.gz MOIDAMZMLVGKLO-WMLDXEAASA-N 1 3 321.440 2.165 20 0 DEADHO C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC001441913683 1182247993 /nfs/dbraw/zinc/24/79/93/1182247993.db2.gz DOGMMJBTJALMQZ-ZIAGYGMSSA-N 1 3 313.461 2.045 20 0 DEADHO Cc1ccc(C[N@@H+](C)CCNC(=O)C2(N(C)C)CCC2)cc1C ZINC001442411324 1182459973 /nfs/dbraw/zinc/45/99/73/1182459973.db2.gz DZISWPVKEYOYDE-UHFFFAOYSA-N 1 3 317.477 2.336 20 0 DEADHO Cc1ccc(C[N@H+](C)CCNC(=O)C2(N(C)C)CCC2)cc1C ZINC001442411324 1182459976 /nfs/dbraw/zinc/45/99/76/1182459976.db2.gz DZISWPVKEYOYDE-UHFFFAOYSA-N 1 3 317.477 2.336 20 0 DEADHO CCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001442874232 1182759988 /nfs/dbraw/zinc/75/99/88/1182759988.db2.gz AOPWWWPMSZSKLG-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO CCCC[N@H+]1CC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001442874232 1182760000 /nfs/dbraw/zinc/76/00/00/1182760000.db2.gz AOPWWWPMSZSKLG-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@H]([NH2+]CCN(C)C(=O)CN1CC[C@H](C)C1)c1ccc(F)cc1 ZINC001443081729 1182843826 /nfs/dbraw/zinc/84/38/26/1182843826.db2.gz RZDBVNLQFPOMAI-LSDHHAIUSA-N 1 3 321.440 2.277 20 0 DEADHO C[C@@H]([NH2+]CCN(C)C(=O)C1(N(C)C)CCC1)c1cccc(F)c1 ZINC001443084549 1182844281 /nfs/dbraw/zinc/84/42/81/1182844281.db2.gz ZQDLZHBVDNPQLN-CQSZACIVSA-N 1 3 321.440 2.419 20 0 DEADHO CN(C(=O)CC[NH+](C)C)[C@@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001443815642 1183142830 /nfs/dbraw/zinc/14/28/30/1183142830.db2.gz KMERULVNFIVXPA-QGZVFWFLSA-N 1 3 321.440 2.141 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC2CCC2)C1 ZINC001445127770 1183788375 /nfs/dbraw/zinc/78/83/75/1183788375.db2.gz LFKVUMSQOXBTTR-IRXDYDNUSA-N 1 3 307.482 2.051 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC2CCC2)C1 ZINC001445127770 1183788378 /nfs/dbraw/zinc/78/83/78/1183788378.db2.gz LFKVUMSQOXBTTR-IRXDYDNUSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H](C[NH2+]CC1CCC1)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001445607006 1183931896 /nfs/dbraw/zinc/93/18/96/1183931896.db2.gz UUBNSLBONJDYEM-SUMWQHHRSA-N 1 3 313.461 2.093 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCC1(C)CC[NH+](C(C)C)CC1 ZINC001446632063 1184462221 /nfs/dbraw/zinc/46/22/21/1184462221.db2.gz YZLVJECHJXDCQO-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](F)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@H+](C)CC ZINC001447039424 1184614744 /nfs/dbraw/zinc/61/47/44/1184614744.db2.gz KDLDXVLFSCHRPA-HRCADAONSA-N 1 3 313.461 2.142 20 0 DEADHO CC[C@H](F)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001447039424 1184614748 /nfs/dbraw/zinc/61/47/48/1184614748.db2.gz KDLDXVLFSCHRPA-HRCADAONSA-N 1 3 313.461 2.142 20 0 DEADHO CCC1([NH2+]CCC2CC2)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001447428552 1184770842 /nfs/dbraw/zinc/77/08/42/1184770842.db2.gz CKOZJQDLNKEBOT-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[NH2+][C@@H](C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001447672746 1184841279 /nfs/dbraw/zinc/84/12/79/1184841279.db2.gz CFYMKALTNADIRM-XJKSGUPXSA-N 1 3 301.450 2.093 20 0 DEADHO C[C@@H]1[C@@H]([NH2+]CCC(C)(C)C)CCN1C(=O)CN(C)C1CCC1 ZINC001448970404 1185465187 /nfs/dbraw/zinc/46/51/87/1185465187.db2.gz BLFRRPBOODJAIG-ZBFHGGJFSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H]1[C@H]([NH2+]CC2CCC2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001448982226 1185470466 /nfs/dbraw/zinc/47/04/66/1185470466.db2.gz MLDUKWYYNNYHDU-GOEBONIOSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCC2CCCC2)C[C@@H]1C ZINC001449009857 1185484460 /nfs/dbraw/zinc/48/44/60/1185484460.db2.gz HFZDOCZBLNCJQV-RDJZCZTQSA-N 1 3 309.498 2.486 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1C[C@H](NC/C=C\Cl)C[C@@H]1C ZINC001449023226 1185493170 /nfs/dbraw/zinc/49/31/70/1185493170.db2.gz WOMXUMVZEAXZKQ-BPIHMUFXSA-N 1 3 301.862 2.050 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](NC/C=C\Cl)C[C@@H]1C ZINC001449023226 1185493176 /nfs/dbraw/zinc/49/31/76/1185493176.db2.gz WOMXUMVZEAXZKQ-BPIHMUFXSA-N 1 3 301.862 2.050 20 0 DEADHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC1CCCCC1 ZINC001405314365 1164048421 /nfs/dbraw/zinc/04/84/21/1164048421.db2.gz YECFPRQCYALJKE-NVXWUHKLSA-N 1 3 309.498 2.393 20 0 DEADHO CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001106132581 782386541 /nfs/dbraw/zinc/38/65/41/782386541.db2.gz CPUPYPFLYZDRCC-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106255642 782579964 /nfs/dbraw/zinc/57/99/64/782579964.db2.gz BTVBQHSZVMFTPM-HZPDHXFCSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1C[NH2+]CC1CC1 ZINC001075332878 776552614 /nfs/dbraw/zinc/55/26/14/776552614.db2.gz ISUOUIFAGUXVFY-RDJZCZTQSA-N 1 3 321.509 2.203 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+]C/C=C\Cl ZINC001167633453 777410849 /nfs/dbraw/zinc/41/08/49/777410849.db2.gz CMZJUFBJZXVHBN-PODYEWJSSA-N 1 3 301.862 2.098 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC2CC2)C1 ZINC001104809681 778191566 /nfs/dbraw/zinc/19/15/66/778191566.db2.gz NLKDLUNHAAPPER-NVXWUHKLSA-N 1 3 309.498 2.203 20 0 DEADHO NC(=[NH2+])N(c1ccc(F)cc1)c1ccc2c(c1)COC21CNC1 ZINC001167994560 779214943 /nfs/dbraw/zinc/21/49/43/779214943.db2.gz LSWOGLKEDFFCQM-UHFFFAOYSA-N 1 3 312.348 2.186 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@@H+]1CC ZINC001087839442 779479224 /nfs/dbraw/zinc/47/92/24/779479224.db2.gz BGQHPQQQENFHME-DLBZAZTESA-N 1 3 303.450 2.351 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@H+]1CC ZINC001087839442 779479230 /nfs/dbraw/zinc/47/92/30/779479230.db2.gz BGQHPQQQENFHME-DLBZAZTESA-N 1 3 303.450 2.351 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001087992073 779619494 /nfs/dbraw/zinc/61/94/94/779619494.db2.gz BTPWTRBKFTUCOP-SJORKVTESA-N 1 3 319.493 2.217 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001087992073 779619498 /nfs/dbraw/zinc/61/94/98/779619498.db2.gz BTPWTRBKFTUCOP-SJORKVTESA-N 1 3 319.493 2.217 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCC3CC3)CC[C@@H]2C1)N(C)C ZINC001088002808 779627423 /nfs/dbraw/zinc/62/74/23/779627423.db2.gz UXXIIBWBSVBRJF-SQNIBIBYSA-N 1 3 321.509 2.153 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCC3CC3)CC[C@@H]2C1)N(C)C ZINC001088002808 779627425 /nfs/dbraw/zinc/62/74/25/779627425.db2.gz UXXIIBWBSVBRJF-SQNIBIBYSA-N 1 3 321.509 2.153 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CCC3CC3)CC[C@@H]2C1 ZINC001088105774 779705569 /nfs/dbraw/zinc/70/55/69/779705569.db2.gz CEZPIMDXJPIXPA-NXHRZFHOSA-N 1 3 319.493 2.051 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CCC3CC3)CC[C@@H]2C1 ZINC001088105774 779705573 /nfs/dbraw/zinc/70/55/73/779705573.db2.gz CEZPIMDXJPIXPA-NXHRZFHOSA-N 1 3 319.493 2.051 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC=C(C)C)CC[C@@H]2C1)N(C)C ZINC001088109419 779706758 /nfs/dbraw/zinc/70/67/58/779706758.db2.gz DRDZKILJKSKMBR-IKGGRYGDSA-N 1 3 307.482 2.073 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC=C(C)C)CC[C@@H]2C1)N(C)C ZINC001088109419 779706769 /nfs/dbraw/zinc/70/67/69/779706769.db2.gz DRDZKILJKSKMBR-IKGGRYGDSA-N 1 3 307.482 2.073 20 0 DEADHO CC1(C)CCN(CC(=O)N2CCCCC[C@H]([NH2+]CC3CC3)C2)C1 ZINC001088381199 780047078 /nfs/dbraw/zinc/04/70/78/780047078.db2.gz ZFFVGMMRVNMINU-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CC1CC(C[NH2+][C@H]2CCCCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001088390683 780062866 /nfs/dbraw/zinc/06/28/66/780062866.db2.gz SKUWTLADXLPGGT-GPANFISMSA-N 1 3 318.465 2.359 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)[C@H]1C ZINC001088562773 780478252 /nfs/dbraw/zinc/47/82/52/780478252.db2.gz MGQJNMZBNZDMQH-IKGGRYGDSA-N 1 3 307.482 2.404 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)[C@H]1C ZINC001088562773 780478257 /nfs/dbraw/zinc/47/82/57/780478257.db2.gz MGQJNMZBNZDMQH-IKGGRYGDSA-N 1 3 307.482 2.404 20 0 DEADHO C[NH+](C)C1CCC(NCc2ccccc2S(C)(=O)=O)CC1 ZINC001168304099 780816878 /nfs/dbraw/zinc/81/68/78/780816878.db2.gz PBQPMHSRYRPQQH-UHFFFAOYSA-N 1 3 310.463 2.053 20 0 DEADHO C[NH+](C)C1CCC(NCc2ccn(CC(F)(F)F)n2)CC1 ZINC001168305696 780821465 /nfs/dbraw/zinc/82/14/65/780821465.db2.gz KQRZRKJUMVSCHU-UHFFFAOYSA-N 1 3 304.360 2.408 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(CCCF)[C@@H]1C ZINC001088693271 780827688 /nfs/dbraw/zinc/82/76/88/780827688.db2.gz SIYZYNAPSOKWNZ-OWCLPIDISA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(CCCF)[C@@H]1C ZINC001088693271 780827693 /nfs/dbraw/zinc/82/76/93/780827693.db2.gz SIYZYNAPSOKWNZ-OWCLPIDISA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCF)[C@@H]1C ZINC001088693271 780827700 /nfs/dbraw/zinc/82/77/00/780827700.db2.gz SIYZYNAPSOKWNZ-OWCLPIDISA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCCF)[C@@H]1C ZINC001088693271 780827707 /nfs/dbraw/zinc/82/77/07/780827707.db2.gz SIYZYNAPSOKWNZ-OWCLPIDISA-N 1 3 313.461 2.045 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CC2CCC2)[C@@H](C)C1 ZINC000947980667 783283890 /nfs/dbraw/zinc/28/38/90/783283890.db2.gz QZDIQQXTTLQJRP-WFASDCNBSA-N 1 3 304.438 2.030 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CC2CCC2)[C@@H](C)C1 ZINC000947980667 783283900 /nfs/dbraw/zinc/28/39/00/783283900.db2.gz QZDIQQXTTLQJRP-WFASDCNBSA-N 1 3 304.438 2.030 20 0 DEADHO CN(C(=O)[C@@H]1CCCN1C)[C@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000948246154 783391054 /nfs/dbraw/zinc/39/10/54/783391054.db2.gz WJWYLFYPQOYNGT-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C(=O)[C@@H]1CCCN1C)[C@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000948246154 783391068 /nfs/dbraw/zinc/39/10/68/783391068.db2.gz WJWYLFYPQOYNGT-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1 ZINC001085405837 783670501 /nfs/dbraw/zinc/67/05/01/783670501.db2.gz ATKGIBLDVLTCGD-HZPDHXFCSA-N 1 3 318.465 2.468 20 0 DEADHO CC(C)CN1CC[C@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001085668622 783942424 /nfs/dbraw/zinc/94/24/24/783942424.db2.gz HQOIWWPKCCJPRF-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)N1CC[C@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085918249 784211367 /nfs/dbraw/zinc/21/13/67/784211367.db2.gz YIBITATZVYYJMS-KRWDZBQOSA-N 1 3 307.482 2.050 20 0 DEADHO Cc1cc(CNCCNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)cs1 ZINC001129329663 784609784 /nfs/dbraw/zinc/60/97/84/784609784.db2.gz ZGXSDQMHQOIFPK-MRXNPFEDSA-N 1 3 323.506 2.240 20 0 DEADHO Cc1cc(CNCCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)cs1 ZINC001129329663 784609787 /nfs/dbraw/zinc/60/97/87/784609787.db2.gz ZGXSDQMHQOIFPK-MRXNPFEDSA-N 1 3 323.506 2.240 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000968904110 784644163 /nfs/dbraw/zinc/64/41/63/784644163.db2.gz JONHOFJIMGCUBG-QGZVFWFLSA-N 1 3 315.461 2.170 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000968912451 784646810 /nfs/dbraw/zinc/64/68/10/784646810.db2.gz HLOUXSNFZSPJES-MSOLQXFVSA-N 1 3 315.461 2.026 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2C)C1)N(C)C ZINC000969074549 784716599 /nfs/dbraw/zinc/71/65/99/784716599.db2.gz INACWZMFJYHOGN-IAGOWNOFSA-N 1 3 321.440 2.165 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001007327989 784888315 /nfs/dbraw/zinc/88/83/15/784888315.db2.gz OOFROVVKYRSVBC-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001007327989 784888324 /nfs/dbraw/zinc/88/83/24/784888324.db2.gz OOFROVVKYRSVBC-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO CCCN1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001007498669 784936854 /nfs/dbraw/zinc/93/68/54/784936854.db2.gz LMDHPSKYEZZESK-RDJZCZTQSA-N 1 3 307.482 2.384 20 0 DEADHO CCCN1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001007498669 784936855 /nfs/dbraw/zinc/93/68/55/784936855.db2.gz LMDHPSKYEZZESK-RDJZCZTQSA-N 1 3 307.482 2.384 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@@H]1CCN1C(=O)OC(C)(C)C)C2 ZINC001169089254 785039709 /nfs/dbraw/zinc/03/97/09/785039709.db2.gz AEDYDWQXCWIYJU-XGUBFFRZSA-N 1 3 309.454 2.211 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@@H]1CCN1C(=O)OC(C)(C)C)C2 ZINC001169089254 785039717 /nfs/dbraw/zinc/03/97/17/785039717.db2.gz AEDYDWQXCWIYJU-XGUBFFRZSA-N 1 3 309.454 2.211 20 0 DEADHO COC(=O)Cc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC001169119837 785042354 /nfs/dbraw/zinc/04/23/54/785042354.db2.gz XMXUYLFCPKYMIS-BJWYYQGGSA-N 1 3 302.418 2.117 20 0 DEADHO C[C@H](C(=O)N[C@H]1CCCN(CCCF)C1)[NH+]1CCCCCC1 ZINC001008749454 785294595 /nfs/dbraw/zinc/29/45/95/785294595.db2.gz SONFOLUIPZQJOC-CVEARBPZSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(N(C)C)CCC1)C2 ZINC001108702903 785501442 /nfs/dbraw/zinc/50/14/42/785501442.db2.gz FYYSDBOBSSJKTA-ULQDDVLXSA-N 1 3 319.493 2.406 20 0 DEADHO CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CC(C)(C)C)C2 ZINC001108764788 785531682 /nfs/dbraw/zinc/53/16/82/785531682.db2.gz WXHINFATOUZVDH-JYJNAYRXSA-N 1 3 309.498 2.343 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC2CC2)C1 ZINC001112548736 786157022 /nfs/dbraw/zinc/15/70/22/786157022.db2.gz OKSBKNMUZFTQMU-HKUYNNGSSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@H](F)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001014422219 786578946 /nfs/dbraw/zinc/57/89/46/786578946.db2.gz GWRLRBBMAQVFMA-GJZGRUSLSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H](F)CC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001014422219 786578954 /nfs/dbraw/zinc/57/89/54/786578954.db2.gz GWRLRBBMAQVFMA-GJZGRUSLSA-N 1 3 313.461 2.190 20 0 DEADHO CC1CC(C[N@@H+]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C2)C1 ZINC001015503321 787086194 /nfs/dbraw/zinc/08/61/94/787086194.db2.gz JVBGNFZJSMXAAT-GPANFISMSA-N 1 3 307.482 2.097 20 0 DEADHO CC1CC(C[N@H+]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C2)C1 ZINC001015503321 787086205 /nfs/dbraw/zinc/08/62/05/787086205.db2.gz JVBGNFZJSMXAAT-GPANFISMSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]([NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C)c1cccc(Cl)c1 ZINC001129437352 787213691 /nfs/dbraw/zinc/21/36/91/787213691.db2.gz ZFMPNNBZKUJYBG-MLGOLLRUSA-N 1 3 323.868 2.447 20 0 DEADHO Cc1ccc(CNCCNC(=O)[C@H](C2CC2)[NH+](C)C)c(Cl)c1 ZINC001129443024 787215409 /nfs/dbraw/zinc/21/54/09/787215409.db2.gz GTQXDCVPYIOIPJ-INIZCTEOSA-N 1 3 323.868 2.194 20 0 DEADHO C[C@@H](NCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)c1cccc(F)c1 ZINC001129855523 787252099 /nfs/dbraw/zinc/25/20/99/787252099.db2.gz GWOQGCJLZPSLQC-PBHICJAKSA-N 1 3 321.440 2.467 20 0 DEADHO C[C@@H](NCCNC(=O)CC[C@@H]1CCC[N@H+]1C)c1cccc(F)c1 ZINC001129855523 787252104 /nfs/dbraw/zinc/25/21/04/787252104.db2.gz GWOQGCJLZPSLQC-PBHICJAKSA-N 1 3 321.440 2.467 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCCC[C@@](C)(F)C1 ZINC001157915356 787291348 /nfs/dbraw/zinc/29/13/48/787291348.db2.gz SLKWVMGGVIUNAT-GOEBONIOSA-N 1 3 301.450 2.223 20 0 DEADHO CCOC(=O)C1=C(Nc2ccc(C3([NH3+])CCC3)cc2)CCNC1 ZINC001170518092 787484395 /nfs/dbraw/zinc/48/43/95/787484395.db2.gz ZFWKZHBAJXGLOB-UHFFFAOYSA-N 1 3 315.417 2.247 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)N(Cc2ccccc2)C1 ZINC001132411426 788065186 /nfs/dbraw/zinc/06/51/86/788065186.db2.gz ZIJGLVJZOGYOBQ-SJLPKXTDSA-N 1 3 317.477 2.498 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)N(Cc2ccccc2)C1 ZINC001132411426 788065196 /nfs/dbraw/zinc/06/51/96/788065196.db2.gz ZIJGLVJZOGYOBQ-SJLPKXTDSA-N 1 3 317.477 2.498 20 0 DEADHO O=C(NCCNC/C=C/Cl)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132794648 788197347 /nfs/dbraw/zinc/19/73/47/788197347.db2.gz CVNCGTQRIQVMSZ-BOSPYUDASA-N 1 3 313.873 2.242 20 0 DEADHO O=C(NCCNC/C=C/Cl)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001132794648 788197350 /nfs/dbraw/zinc/19/73/50/788197350.db2.gz CVNCGTQRIQVMSZ-BOSPYUDASA-N 1 3 313.873 2.242 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@@H]1C ZINC001133194427 788313735 /nfs/dbraw/zinc/31/37/35/788313735.db2.gz FLTBMDVLACYPRQ-ROUUACIJSA-N 1 3 323.525 2.449 20 0 DEADHO COC(=O)c1ccc(CN(C)CC2CC[NH+](C)CC2)c(OC)c1 ZINC001137453402 788363433 /nfs/dbraw/zinc/36/34/33/788363433.db2.gz SUHODTUNUSYOJF-UHFFFAOYSA-N 1 3 320.433 2.255 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC2CCC2)C1 ZINC001133345376 788375900 /nfs/dbraw/zinc/37/59/00/788375900.db2.gz BHDKTAFMSKLJMF-RDJZCZTQSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@H](C(=O)NCCN[C@H](C)c1ccccc1F)[NH+](C)C ZINC001133434023 788429858 /nfs/dbraw/zinc/42/98/58/788429858.db2.gz HNMSGAURKKBRNI-CZUORRHYSA-N 1 3 309.429 2.179 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001133823542 788620203 /nfs/dbraw/zinc/62/02/03/788620203.db2.gz IVIRVUSERZLLDO-UONOGXRCSA-N 1 3 317.424 2.002 20 0 DEADHO Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001133851143 788633411 /nfs/dbraw/zinc/63/34/11/788633411.db2.gz XSUSXHCNEKKDOQ-WBVHZDCISA-N 1 3 317.477 2.412 20 0 DEADHO CN(CC(=O)NCC[NH2+]CCc1ccccc1F)CC(C)(C)C ZINC001133906506 788665958 /nfs/dbraw/zinc/66/59/58/788665958.db2.gz ZBDYPMOLZNSOKH-UHFFFAOYSA-N 1 3 323.456 2.052 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+][C@@H](C)c1ccc(Cl)cc1)N(C)C ZINC001133968319 788697090 /nfs/dbraw/zinc/69/70/90/788697090.db2.gz VGUFCEYBHZSDEC-WFASDCNBSA-N 1 3 311.857 2.447 20 0 DEADHO C[C@H](C[C@@H](C)[NH2+]C/C=C\Cl)NC(=O)C1(N(C)C)CCC1 ZINC001134582905 788987603 /nfs/dbraw/zinc/98/76/03/788987603.db2.gz BICOROYGVATREW-KPRDYVAISA-N 1 3 301.862 2.096 20 0 DEADHO CCCCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(CC)CC ZINC001135705675 789460236 /nfs/dbraw/zinc/46/02/36/789460236.db2.gz HUMOEYDYIGVMCC-CVEARBPZSA-N 1 3 315.502 2.018 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCOC(C)C ZINC001135706688 789460774 /nfs/dbraw/zinc/46/07/74/789460774.db2.gz ZRANTOJLJGVOMC-HOTGVXAUSA-N 1 3 315.502 2.016 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001135746132 789475180 /nfs/dbraw/zinc/47/51/80/789475180.db2.gz DPNWDSBUZREBCS-CHWSQXEVSA-N 1 3 319.440 2.246 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCCCOC ZINC001135980637 789581211 /nfs/dbraw/zinc/58/12/11/789581211.db2.gz QXZONVSVEXXOQP-JKSUJKDBSA-N 1 3 315.502 2.018 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccsc1 ZINC001136030756 789601249 /nfs/dbraw/zinc/60/12/49/789601249.db2.gz BOLGJCUWSIXPFN-NEPJUHHUSA-N 1 3 320.462 2.395 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)C2(N(C)C)CCCC2)CC1 ZINC001136258065 789674715 /nfs/dbraw/zinc/67/47/15/789674715.db2.gz IXKWGFLZTRYNPV-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CC2=CCCCC2)CCN1C(=O)[C@@H]1CCCN1C ZINC001074563106 791231580 /nfs/dbraw/zinc/23/15/80/791231580.db2.gz WWFRPVYAFJBYKL-XIRDDKMYSA-N 1 3 305.466 2.160 20 0 DEADHO Cc1cncc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001146590863 791317780 /nfs/dbraw/zinc/31/77/80/791317780.db2.gz CMPIOHNHBLZYDW-CVEARBPZSA-N 1 3 320.481 2.103 20 0 DEADHO C[C@H]1[C@@H]([NH2+][C@@H]2CCc3ccccc32)CCN1C(=O)Cc1c[nH]cn1 ZINC001074918419 791386665 /nfs/dbraw/zinc/38/66/65/791386665.db2.gz OIRQEMZWAWJFOI-DOPJRALCSA-N 1 3 324.428 2.219 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC ZINC001098191484 791590287 /nfs/dbraw/zinc/59/02/87/791590287.db2.gz IDGOKVLUDWNETI-NCOADZHNSA-N 1 3 307.482 2.382 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC ZINC001098191484 791590291 /nfs/dbraw/zinc/59/02/91/791590291.db2.gz IDGOKVLUDWNETI-NCOADZHNSA-N 1 3 307.482 2.382 20 0 DEADHO CC/C=C/CC[N@@H+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001147731352 791598000 /nfs/dbraw/zinc/59/80/00/791598000.db2.gz HGFIFKFJWMGBJY-SNAWJCMRSA-N 1 3 319.493 2.361 20 0 DEADHO CC/C=C/CC[N@H+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001147731352 791598010 /nfs/dbraw/zinc/59/80/10/791598010.db2.gz HGFIFKFJWMGBJY-SNAWJCMRSA-N 1 3 319.493 2.361 20 0 DEADHO CCC(CC)[NH+]1CCC(Nc2ncc3c(n2)CCNC3)CC1 ZINC001161095234 791703807 /nfs/dbraw/zinc/70/38/07/791703807.db2.gz RTWRWXOQOHECRY-UHFFFAOYSA-N 1 3 303.454 2.187 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](CC1CC(C)(C)C1)C2 ZINC001148651960 791781464 /nfs/dbraw/zinc/78/14/64/791781464.db2.gz UEECTFUAMSHPML-UHFFFAOYSA-N 1 3 321.509 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](CC1CC(C)(C)C1)C2 ZINC001148651960 791781468 /nfs/dbraw/zinc/78/14/68/791781468.db2.gz UEECTFUAMSHPML-UHFFFAOYSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@]2(C)C1 ZINC001091740843 791784644 /nfs/dbraw/zinc/78/46/44/791784644.db2.gz MBUXOXBJPHMXFM-APWZRJJASA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)CC[N@H+]1C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@]2(C)C1 ZINC001091740843 791784647 /nfs/dbraw/zinc/78/46/47/791784647.db2.gz MBUXOXBJPHMXFM-APWZRJJASA-N 1 3 321.509 2.297 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001148638680 791787293 /nfs/dbraw/zinc/78/72/93/791787293.db2.gz MXUKYPQTRQSPND-CYBMUJFWSA-N 1 3 311.857 2.449 20 0 DEADHO CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001086941718 791856593 /nfs/dbraw/zinc/85/65/93/791856593.db2.gz ALPVNEKCUJZOLY-HZPDHXFCSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)C[C@]2(C)C1 ZINC001091910375 791898596 /nfs/dbraw/zinc/89/85/96/791898596.db2.gz VAPXKSSWNCCISU-QAPCUYQASA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)C[C@]2(C)C1 ZINC001091910375 791898598 /nfs/dbraw/zinc/89/85/98/791898598.db2.gz VAPXKSSWNCCISU-QAPCUYQASA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)N1CCCC1)C2 ZINC001111462154 791982025 /nfs/dbraw/zinc/98/20/25/791982025.db2.gz IFGVZZVVGHHJKI-ZJPYXAASSA-N 1 3 321.509 2.484 20 0 DEADHO CC(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)N1CCCC1)C2 ZINC001111462154 791982028 /nfs/dbraw/zinc/98/20/28/791982028.db2.gz IFGVZZVVGHHJKI-ZJPYXAASSA-N 1 3 321.509 2.484 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC1CC([NH2+]Cc2ccccc2)C1 ZINC001100459911 792665057 /nfs/dbraw/zinc/66/50/57/792665057.db2.gz FBCDSPQGWKGWTN-UHFFFAOYSA-N 1 3 317.477 2.401 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC2CC2)[C@H](C)C1 ZINC001094088650 792723605 /nfs/dbraw/zinc/72/36/05/792723605.db2.gz GCEWJUXZAKMFPP-KBAYOESNSA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@@H](C(=O)NCC1CC([NH2+]CC=C(Cl)Cl)C1)N(C)C ZINC001100684348 792787473 /nfs/dbraw/zinc/78/74/73/792787473.db2.gz DFUDUBZTFSBWNP-MCIGGMRASA-N 1 3 322.280 2.130 20 0 DEADHO CCN(CC)CC(=O)NCC1CC([NH2+]Cc2csc(C)c2)C1 ZINC001100770712 792834522 /nfs/dbraw/zinc/83/45/22/792834522.db2.gz LFLFJYAVMBLMSV-UHFFFAOYSA-N 1 3 323.506 2.383 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC)CC2 ZINC001094430874 792916679 /nfs/dbraw/zinc/91/66/79/792916679.db2.gz YLEZAQVVJIULPE-LZLYRXPVSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC)CC2 ZINC001094430874 792916683 /nfs/dbraw/zinc/91/66/83/792916683.db2.gz YLEZAQVVJIULPE-LZLYRXPVSA-N 1 3 307.482 2.242 20 0 DEADHO C[N@H+]1C[C@H]2CN([C@@H]3CCc4cc(F)c(F)c(F)c4C3)C[C@H]2C1 ZINC001171544005 793114441 /nfs/dbraw/zinc/11/44/41/793114441.db2.gz QJYGCZCETNZOOA-FRRDWIJNSA-N 1 3 310.363 2.455 20 0 DEADHO C[N@@H+]1C[C@H]2CN([C@@H]3CCc4cc(F)c(F)c(F)c4C3)C[C@H]2C1 ZINC001171544005 793114443 /nfs/dbraw/zinc/11/44/43/793114443.db2.gz QJYGCZCETNZOOA-FRRDWIJNSA-N 1 3 310.363 2.455 20 0 DEADHO CCCCC[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101364288 793134103 /nfs/dbraw/zinc/13/41/03/793134103.db2.gz QTSHVKSIACUKRH-LMMKCTJWSA-N 1 3 321.509 2.441 20 0 DEADHO CCCCC[N@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101364288 793134105 /nfs/dbraw/zinc/13/41/05/793134105.db2.gz QTSHVKSIACUKRH-LMMKCTJWSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368748 793135781 /nfs/dbraw/zinc/13/57/81/793135781.db2.gz LBEVMTCLOXESSK-QAPCUYQASA-N 1 3 309.498 2.155 20 0 DEADHO CCC[N@H+]1C[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368748 793135787 /nfs/dbraw/zinc/13/57/87/793135787.db2.gz LBEVMTCLOXESSK-QAPCUYQASA-N 1 3 309.498 2.155 20 0 DEADHO C[NH+]1C(C)(C)CC(N[C@@H]2CCN(c3ccncn3)C2)CC1(C)C ZINC001171626926 793156177 /nfs/dbraw/zinc/15/61/77/793156177.db2.gz HOFRTRAEMUGXIA-CQSZACIVSA-N 1 3 317.481 2.296 20 0 DEADHO CN(C)C(=O)[C@H]1CCC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171637411 793170907 /nfs/dbraw/zinc/17/09/07/793170907.db2.gz MQRYOKMYYDXDJN-AWEZNQCLSA-N 1 3 309.498 2.438 20 0 DEADHO CN(C)C(=O)[C@H]1CCC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171637411 793170913 /nfs/dbraw/zinc/17/09/13/793170913.db2.gz MQRYOKMYYDXDJN-AWEZNQCLSA-N 1 3 309.498 2.438 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1ccc(C)c(F)c1 ZINC001171762629 793198685 /nfs/dbraw/zinc/19/86/85/793198685.db2.gz IRIUTQPZOZASFB-UHFFFAOYSA-N 1 3 309.429 2.072 20 0 DEADHO C[C@H](CN)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171877280 793225638 /nfs/dbraw/zinc/22/56/38/793225638.db2.gz LNSHVBVXUQVDDH-WBVHZDCISA-N 1 3 303.450 2.208 20 0 DEADHO C[C@H](CN)C[N@@H+](C)[C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171877280 793225644 /nfs/dbraw/zinc/22/56/44/793225644.db2.gz LNSHVBVXUQVDDH-WBVHZDCISA-N 1 3 303.450 2.208 20 0 DEADHO CCN1CC[C@@H](N2CCC([NH3+])(Cc3ccccc3)CC2)CC1=O ZINC001172029691 793296366 /nfs/dbraw/zinc/29/63/66/793296366.db2.gz DHTLOQDETMDPPW-QGZVFWFLSA-N 1 3 315.461 2.033 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[C@@H](Oc3ncc(F)cn3)C1)C2 ZINC001172133973 793323848 /nfs/dbraw/zinc/32/38/48/793323848.db2.gz UXFQHPSEPCGDCJ-QKPAOTATSA-N 1 3 320.412 2.084 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[C@@H](Oc3ncc(F)cn3)C1)C2 ZINC001172133973 793323860 /nfs/dbraw/zinc/32/38/60/793323860.db2.gz UXFQHPSEPCGDCJ-QKPAOTATSA-N 1 3 320.412 2.084 20 0 DEADHO COCCC[NH+]1CCC(N2CC[C@H](c3ccncc3)C2)CC1 ZINC001172255416 793390890 /nfs/dbraw/zinc/39/08/90/793390890.db2.gz QJICDPBKCYLKMU-KRWDZBQOSA-N 1 3 303.450 2.372 20 0 DEADHO CC(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048911 793486880 /nfs/dbraw/zinc/48/68/80/793486880.db2.gz UREMDPZAUQDTIZ-DJIMGWMZSA-N 1 3 309.498 2.057 20 0 DEADHO CC(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048911 793486886 /nfs/dbraw/zinc/48/68/86/793486886.db2.gz UREMDPZAUQDTIZ-DJIMGWMZSA-N 1 3 309.498 2.057 20 0 DEADHO CC(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102330324 793578295 /nfs/dbraw/zinc/57/82/95/793578295.db2.gz OWBJVYGOZOAANS-BRWVUGGUSA-N 1 3 311.514 2.303 20 0 DEADHO CC(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102330324 793578302 /nfs/dbraw/zinc/57/83/02/793578302.db2.gz OWBJVYGOZOAANS-BRWVUGGUSA-N 1 3 311.514 2.303 20 0 DEADHO CCCN1C[C@@H]2C[NH+]([C@H]3COc4cccc(OC)c4C3)C[C@H]2C1 ZINC001173169088 793629622 /nfs/dbraw/zinc/62/96/22/793629622.db2.gz XAHODYJEDRHBLW-BZUAXINKSA-N 1 3 316.445 2.272 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001102531852 793644108 /nfs/dbraw/zinc/64/41/08/793644108.db2.gz IRRZQDBBLDSUSH-QNQFUXMYSA-N 1 3 318.465 2.301 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001102531852 793644115 /nfs/dbraw/zinc/64/41/15/793644115.db2.gz IRRZQDBBLDSUSH-QNQFUXMYSA-N 1 3 318.465 2.301 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C)N(C)C ZINC001103111567 793945485 /nfs/dbraw/zinc/94/54/85/793945485.db2.gz BVCRVLIELAQYED-NXHRZFHOSA-N 1 3 323.525 2.447 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C)N(C)C ZINC001103111567 793945490 /nfs/dbraw/zinc/94/54/90/793945490.db2.gz BVCRVLIELAQYED-NXHRZFHOSA-N 1 3 323.525 2.447 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](CCCF)C[C@H]1C ZINC001103156371 793960959 /nfs/dbraw/zinc/96/09/59/793960959.db2.gz ABPYPVZNJQSHDT-HUUCEWRRSA-N 1 3 315.477 2.151 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](CCCF)C[C@H]1C ZINC001103156371 793960964 /nfs/dbraw/zinc/96/09/64/793960964.db2.gz ABPYPVZNJQSHDT-HUUCEWRRSA-N 1 3 315.477 2.151 20 0 DEADHO C[C@@H]1C[N@H+](CCF)C[C@H]1CCNC(=O)CN(C)CC(C)(C)C ZINC001103438570 794093273 /nfs/dbraw/zinc/09/32/73/794093273.db2.gz QHSJRGNGUYJKLA-HUUCEWRRSA-N 1 3 315.477 2.008 20 0 DEADHO C[C@@H]1C[N@@H+](CCF)C[C@H]1CCNC(=O)CN(C)CC(C)(C)C ZINC001103438570 794093281 /nfs/dbraw/zinc/09/32/81/794093281.db2.gz QHSJRGNGUYJKLA-HUUCEWRRSA-N 1 3 315.477 2.008 20 0 DEADHO CC[NH2+]CCCC[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001175262587 794172081 /nfs/dbraw/zinc/17/20/81/794172081.db2.gz HWTZFWWJJRQZEW-PBHICJAKSA-N 1 3 315.477 2.483 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)CCCC[NH2+]Cc1conc1C ZINC001175768743 794284083 /nfs/dbraw/zinc/28/40/83/794284083.db2.gz MZJPWSDXSZGTEP-CQSZACIVSA-N 1 3 324.469 2.089 20 0 DEADHO CC(C)CCC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC001178902266 795027094 /nfs/dbraw/zinc/02/70/94/795027094.db2.gz IFGZLEWVGOXAOL-RDJZCZTQSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H]1C ZINC001179549731 795135756 /nfs/dbraw/zinc/13/57/56/795135756.db2.gz HWMGFTVRWJNBQW-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](F)CC[NH2+]CCCCCCNC(=O)CN1CCC[C@H]1C ZINC001179580782 795145383 /nfs/dbraw/zinc/14/53/83/795145383.db2.gz PQUMVUQZFJPNLU-HZPDHXFCSA-N 1 3 315.477 2.485 20 0 DEADHO CCN1CCN(C[C@H](C)CNC(=[NH2+])Nc2ccccc2C)CC1 ZINC001118350339 795180563 /nfs/dbraw/zinc/18/05/63/795180563.db2.gz LIKMBLQRFQRCCZ-OAHLLOKOSA-N 1 3 317.481 2.205 20 0 DEADHO Cc1ncc(C[NH2+]CCCCCCNC(=O)CN(C)C(C)C)o1 ZINC001180369437 795291756 /nfs/dbraw/zinc/29/17/56/795291756.db2.gz FSJYPYSWXGWFNP-UHFFFAOYSA-N 1 3 324.469 2.089 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CC[C@H](C)F)CCCCC1 ZINC001120069157 795401836 /nfs/dbraw/zinc/40/18/36/795401836.db2.gz WJNLOILNWGMPRO-ZDUSSCGKSA-N 1 3 324.444 2.417 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001120470377 795467053 /nfs/dbraw/zinc/46/70/53/795467053.db2.gz QJJZRKUJESMHFO-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001120470377 795467059 /nfs/dbraw/zinc/46/70/59/795467059.db2.gz QJJZRKUJESMHFO-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001120470376 795467590 /nfs/dbraw/zinc/46/75/90/795467590.db2.gz QJJZRKUJESMHFO-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001120470376 795467592 /nfs/dbraw/zinc/46/75/92/795467592.db2.gz QJJZRKUJESMHFO-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001181755417 795534042 /nfs/dbraw/zinc/53/40/42/795534042.db2.gz QHUDZPMYZQSRJG-SZVBFZGTSA-N 1 3 321.509 2.367 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCC2)C1)N(C)C ZINC001181801216 795542165 /nfs/dbraw/zinc/54/21/65/795542165.db2.gz QNHQDAPNGQHKJF-HHXXYDBFSA-N 1 3 323.525 2.447 20 0 DEADHO CCN(CC)CC(=O)NC1CC2(C1)CC([NH2+]CC=C(C)C)C2 ZINC001121935159 795706983 /nfs/dbraw/zinc/70/69/83/795706983.db2.gz JMDFKUACNKGADH-UHFFFAOYSA-N 1 3 307.482 2.311 20 0 DEADHO CCCC[NH2+]C[C@]1(C)CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001182630187 795715321 /nfs/dbraw/zinc/71/53/21/795715321.db2.gz RLFBWQCCTVVPOZ-LZLYRXPVSA-N 1 3 309.498 2.203 20 0 DEADHO CC(=N)N(Cc1cccc(C[NH3+])c1)C(=O)[C@@H](C(C)C)N(C)C ZINC001183366661 795867024 /nfs/dbraw/zinc/86/70/24/795867024.db2.gz VVUXESSNVXMAQS-MRXNPFEDSA-N 1 3 304.438 2.057 20 0 DEADHO O=C(CCC[NH+]1CCCCC1)NCCNCc1cccc(F)c1 ZINC001151361504 795941417 /nfs/dbraw/zinc/94/14/17/795941417.db2.gz JMBCKOOPGKHONY-UHFFFAOYSA-N 1 3 321.440 2.298 20 0 DEADHO CC(C)[NH2+]C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001185171783 796202525 /nfs/dbraw/zinc/20/25/25/796202525.db2.gz YDZVTEAWRFOFNZ-JKSUJKDBSA-N 1 3 311.514 2.447 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H](C[NH2+]CCC2CC2)[C@H](C)C1 ZINC001185348816 796236220 /nfs/dbraw/zinc/23/62/20/796236220.db2.gz SKXKBQHQFLPWGH-WBVHZDCISA-N 1 3 309.498 2.203 20 0 DEADHO CC(=O)[C@H]1CCCN(Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001138773089 796273119 /nfs/dbraw/zinc/27/31/19/796273119.db2.gz QACDETAMICPVHX-KRWDZBQOSA-N 1 3 304.434 2.428 20 0 DEADHO CC(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001186082223 796353932 /nfs/dbraw/zinc/35/39/32/796353932.db2.gz GKHDPLYULCFHML-IAGOWNOFSA-N 1 3 309.498 2.486 20 0 DEADHO CCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN(CC)CC)C2)cc1 ZINC001186497156 796408799 /nfs/dbraw/zinc/40/87/99/796408799.db2.gz ZIZOUDBDJPXNOT-GOSISDBHSA-N 1 3 317.477 2.281 20 0 DEADHO CCC[NH+](CCC)CCN1CCN(CC2(CC)COC2)CC1 ZINC001202962490 796414871 /nfs/dbraw/zinc/41/48/71/796414871.db2.gz IXULVPIBZCQCAC-UHFFFAOYSA-N 1 3 311.514 2.153 20 0 DEADHO CCN(CC)CC(=O)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC001203006276 796483482 /nfs/dbraw/zinc/48/34/82/796483482.db2.gz XDFPPZDUUSZPSC-UHFFFAOYSA-N 1 3 303.450 2.109 20 0 DEADHO CC(C)C[NH2+][C@@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203028332 796514645 /nfs/dbraw/zinc/51/46/45/796514645.db2.gz LTTIGPUZZGYYQM-HUUCEWRRSA-N 1 3 307.482 2.144 20 0 DEADHO Cc1cc(F)ccc1C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188158516 796641081 /nfs/dbraw/zinc/64/10/81/796641081.db2.gz REMQGIOJCMODCD-QGZVFWFLSA-N 1 3 321.440 2.165 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001189389951 796816039 /nfs/dbraw/zinc/81/60/39/796816039.db2.gz MNECKQSMXWJJOG-HZPDHXFCSA-N 1 3 309.498 2.440 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001189389951 796816043 /nfs/dbraw/zinc/81/60/43/796816043.db2.gz MNECKQSMXWJJOG-HZPDHXFCSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC[NH2+]CCCc1ccccc1 ZINC001152146823 797150949 /nfs/dbraw/zinc/15/09/49/797150949.db2.gz JWVRVNZDQKRBQR-IAGOWNOFSA-N 1 3 317.477 2.198 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC[NH2+]CC2CCCC2)c1 ZINC001152245681 797162482 /nfs/dbraw/zinc/16/24/82/797162482.db2.gz KQCDYIVEEKECLL-UHFFFAOYSA-N 1 3 303.450 2.258 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)c1ccccc1 ZINC001152459098 797191009 /nfs/dbraw/zinc/19/10/09/797191009.db2.gz YQKVQVWPGFONDK-NVXWUHKLSA-N 1 3 303.450 2.328 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCCF ZINC001153727866 797382377 /nfs/dbraw/zinc/38/23/77/797382377.db2.gz GVPCKOJSSFJIFE-CABCVRRESA-N 1 3 301.450 2.047 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCCF ZINC001153727866 797382384 /nfs/dbraw/zinc/38/23/84/797382384.db2.gz GVPCKOJSSFJIFE-CABCVRRESA-N 1 3 301.450 2.047 20 0 DEADHO CC(C)C[C@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192550254 797404583 /nfs/dbraw/zinc/40/45/83/797404583.db2.gz FYHSRQSGRRBYAH-GOEBONIOSA-N 1 3 306.454 2.167 20 0 DEADHO CC(C)C[C@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192550254 797404587 /nfs/dbraw/zinc/40/45/87/797404587.db2.gz FYHSRQSGRRBYAH-GOEBONIOSA-N 1 3 306.454 2.167 20 0 DEADHO CC(C)c1cccc2cc(C(=O)N(CCCC[NH3+])C(=N)N)[nH]c21 ZINC001154099664 797462653 /nfs/dbraw/zinc/46/26/53/797462653.db2.gz XLGOJTQTAXNOBD-UHFFFAOYSA-N 1 3 315.421 2.366 20 0 DEADHO CC[N@H+](CC[C@@H](C)F)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001155086007 797677398 /nfs/dbraw/zinc/67/73/98/797677398.db2.gz XRILXTQFSNBHFC-RBSFLKMASA-N 1 3 303.466 2.147 20 0 DEADHO CC[N@@H+](CC[C@@H](C)F)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001155086007 797677403 /nfs/dbraw/zinc/67/74/03/797677403.db2.gz XRILXTQFSNBHFC-RBSFLKMASA-N 1 3 303.466 2.147 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(F)cc2)C1 ZINC001194284376 797710001 /nfs/dbraw/zinc/71/00/01/797710001.db2.gz GZWXTIRZBKGNGQ-KRWDZBQOSA-N 1 3 321.440 2.199 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001194284376 797710004 /nfs/dbraw/zinc/71/00/04/797710004.db2.gz GZWXTIRZBKGNGQ-KRWDZBQOSA-N 1 3 321.440 2.199 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)CC2CC3(CCC3)C2)C1 ZINC001194295501 797710640 /nfs/dbraw/zinc/71/06/40/797710640.db2.gz QLXPBBFUXLWQDR-QGZVFWFLSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)CC2CC3(CCC3)C2)C1 ZINC001194295501 797710642 /nfs/dbraw/zinc/71/06/42/797710642.db2.gz QLXPBBFUXLWQDR-QGZVFWFLSA-N 1 3 321.509 2.440 20 0 DEADHO CCN(CC)CC(=O)N1CCC(C[NH2+]CCCCCF)CC1 ZINC001206654039 797710934 /nfs/dbraw/zinc/71/09/34/797710934.db2.gz UCCMFIJKRKHXHS-UHFFFAOYSA-N 1 3 315.477 2.296 20 0 DEADHO CN(C)Cc1ccnc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)c1 ZINC001155390481 797746956 /nfs/dbraw/zinc/74/69/56/797746956.db2.gz PPPSCQKFJOWDJL-MRXNPFEDSA-N 1 3 318.465 2.104 20 0 DEADHO O=C(C[C@H]1CCCC[NH2+]1)N1CCN(CC2CCCCC2)CC1 ZINC001157578344 798235154 /nfs/dbraw/zinc/23/51/54/798235154.db2.gz CKYGSGJQZGHLPG-QGZVFWFLSA-N 1 3 307.482 2.243 20 0 DEADHO CC(C)N(C)CC(=O)NCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001152439634 798317661 /nfs/dbraw/zinc/31/76/61/798317661.db2.gz QCBGCLOSZZRSCQ-ZDUSSCGKSA-N 1 3 311.857 2.447 20 0 DEADHO CCc1ccccc1C[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159915023 798625116 /nfs/dbraw/zinc/62/51/16/798625116.db2.gz GFSCAUDVEHJMCK-SFHVURJKSA-N 1 3 317.477 2.185 20 0 DEADHO C[C@@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C)c1ccc(F)cc1 ZINC001159931467 798627770 /nfs/dbraw/zinc/62/77/70/798627770.db2.gz DDMGWXAVWQFQJH-CXAGYDPISA-N 1 3 321.440 2.323 20 0 DEADHO C[C@@H]([NH2+]CCCNC(=O)CN(C)C1CCC1)c1ccccc1 ZINC001160003654 798638827 /nfs/dbraw/zinc/63/88/27/798638827.db2.gz YMNNHTSDHCAOAL-OAHLLOKOSA-N 1 3 303.450 2.328 20 0 DEADHO Cc1cccc(C)c1C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160421545 798686549 /nfs/dbraw/zinc/68/65/49/798686549.db2.gz VFRHIEVOIVEYTJ-SFHVURJKSA-N 1 3 319.493 2.486 20 0 DEADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](C[C@@H]3CC=CCC3)CC[C@@H]21 ZINC001201418237 798752486 /nfs/dbraw/zinc/75/24/86/798752486.db2.gz ZTAYFNSFZSXEEP-BDXSIMOUSA-N 1 3 315.465 2.029 20 0 DEADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](C[C@@H]3CC=CCC3)CC[C@@H]21 ZINC001201418237 798752488 /nfs/dbraw/zinc/75/24/88/798752488.db2.gz ZTAYFNSFZSXEEP-BDXSIMOUSA-N 1 3 315.465 2.029 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+]Cc1cc(C)ccc1C)N(C)C ZINC001160877340 798753548 /nfs/dbraw/zinc/75/35/48/798753548.db2.gz UXCJMJGZNWVITF-QGZVFWFLSA-N 1 3 305.466 2.240 20 0 DEADHO CN1CCN(c2cc(Nc3ccc4nccn4c3)cc[nH+]2)CC1 ZINC001201650382 798784785 /nfs/dbraw/zinc/78/47/85/798784785.db2.gz AGHSTAWAKYHAOW-UHFFFAOYSA-N 1 3 308.389 2.225 20 0 DEADHO COC(=O)CCN(CCCc1ccccc1)CCC[NH+](C)C ZINC001201662800 798787118 /nfs/dbraw/zinc/78/71/18/798787118.db2.gz KHSYDGNHUXGQJN-UHFFFAOYSA-N 1 3 306.450 2.436 20 0 DEADHO CCC[N@H+]1CC=C(CCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001161220171 798812564 /nfs/dbraw/zinc/81/25/64/798812564.db2.gz XGYFMUBTRVMEIY-UHFFFAOYSA-N 1 3 307.482 2.267 20 0 DEADHO CCC[N@@H+]1CC=C(CCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001161220171 798812569 /nfs/dbraw/zinc/81/25/69/798812569.db2.gz XGYFMUBTRVMEIY-UHFFFAOYSA-N 1 3 307.482 2.267 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]Cc1ccc(OC)cc1 ZINC001161251653 798816275 /nfs/dbraw/zinc/81/62/75/798816275.db2.gz SXJVILCVTXAEBP-UHFFFAOYSA-N 1 3 321.465 2.021 20 0 DEADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](CCC(C)(C)C)CC2 ZINC001202073764 798828013 /nfs/dbraw/zinc/82/80/13/798828013.db2.gz USRTWPSKKSGHGG-UHFFFAOYSA-N 1 3 319.493 2.247 20 0 DEADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](CCC(C)(C)C)CC2 ZINC001202073764 798828016 /nfs/dbraw/zinc/82/80/16/798828016.db2.gz USRTWPSKKSGHGG-UHFFFAOYSA-N 1 3 319.493 2.247 20 0 DEADHO CC(C)=CC[N@H+]1CC=C(CCNC(=O)CN2CCCC2)CC1 ZINC001161875260 798955571 /nfs/dbraw/zinc/95/55/71/798955571.db2.gz VOQBSRSZXAWUFT-UHFFFAOYSA-N 1 3 305.466 2.187 20 0 DEADHO CC(C)=CC[N@@H+]1CC=C(CCNC(=O)CN2CCCC2)CC1 ZINC001161875260 798955575 /nfs/dbraw/zinc/95/55/75/798955575.db2.gz VOQBSRSZXAWUFT-UHFFFAOYSA-N 1 3 305.466 2.187 20 0 DEADHO CC(C)N(C)CC(=O)NCCC1=CC[N@H+](CC2CCC2)CC1 ZINC001161947043 798976223 /nfs/dbraw/zinc/97/62/23/798976223.db2.gz UHTZWCZOAJTKFN-UHFFFAOYSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)N(C)CC(=O)NCCC1=CC[N@@H+](CC2CCC2)CC1 ZINC001161947043 798976228 /nfs/dbraw/zinc/97/62/28/798976228.db2.gz UHTZWCZOAJTKFN-UHFFFAOYSA-N 1 3 307.482 2.265 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@H](C)F ZINC001110738348 799002574 /nfs/dbraw/zinc/00/25/74/799002574.db2.gz BBLRBBCREVOOPK-YJNKXOJESA-N 1 3 313.461 2.186 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@H](C)F ZINC001110738348 799002580 /nfs/dbraw/zinc/00/25/80/799002580.db2.gz BBLRBBCREVOOPK-YJNKXOJESA-N 1 3 313.461 2.186 20 0 DEADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC[C@H](C)F ZINC001110738348 799002590 /nfs/dbraw/zinc/00/25/90/799002590.db2.gz BBLRBBCREVOOPK-YJNKXOJESA-N 1 3 313.461 2.186 20 0 DEADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC[C@H](C)F ZINC001110738348 799002594 /nfs/dbraw/zinc/00/25/94/799002594.db2.gz BBLRBBCREVOOPK-YJNKXOJESA-N 1 3 313.461 2.186 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]21 ZINC001114489004 799147989 /nfs/dbraw/zinc/14/79/89/799147989.db2.gz XDLCHQQDZLEGII-ZSHCYNCHSA-N 1 3 321.509 2.199 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]21 ZINC001114489004 799147993 /nfs/dbraw/zinc/14/79/93/799147993.db2.gz XDLCHQQDZLEGII-ZSHCYNCHSA-N 1 3 321.509 2.199 20 0 DEADHO CC[C@H](F)C[NH2+]C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001202540390 799165664 /nfs/dbraw/zinc/16/56/64/799165664.db2.gz XJJBSIRRBMAIGE-AWEZNQCLSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)[C@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000878205344 799202838 /nfs/dbraw/zinc/20/28/38/799202838.db2.gz LQLDRYVHWACXRI-SFHVURJKSA-N 1 3 321.440 2.323 20 0 DEADHO COc1cccc([C@@H](C[NH3+])Nc2cc(CN(C)C)ccn2)c1 ZINC001163311762 799307268 /nfs/dbraw/zinc/30/72/68/799307268.db2.gz FPIBQVPFSWQENZ-MRXNPFEDSA-N 1 3 300.406 2.264 20 0 DEADHO Cc1nc(N2CCCC2)cc(N2CCC[C@](C)(C[NH3+])CC2)n1 ZINC001164242729 799551082 /nfs/dbraw/zinc/55/10/82/799551082.db2.gz PJWRFGRGYBNOTD-KRWDZBQOSA-N 1 3 303.454 2.341 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C)cc1F ZINC001166011162 799812292 /nfs/dbraw/zinc/81/22/92/799812292.db2.gz YRERDOQHWMGYNY-QGZVFWFLSA-N 1 3 323.456 2.316 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001166627128 799904158 /nfs/dbraw/zinc/90/41/58/799904158.db2.gz QNWPHBCVLPBQJX-MAUKXSAKSA-N 1 3 315.461 2.254 20 0 DEADHO CCc1ccccc1C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166633391 799907260 /nfs/dbraw/zinc/90/72/60/799907260.db2.gz FIMOUWXUFSQZGE-INIZCTEOSA-N 1 3 317.477 2.329 20 0 DEADHO c1c2ccccc2n(-c2ncnc3c2CCNC3)c1[C@H]1CCC[NH2+]1 ZINC001166650451 799911997 /nfs/dbraw/zinc/91/19/97/799911997.db2.gz DSIFZGPQXUFGGI-OAHLLOKOSA-N 1 3 319.412 2.491 20 0 DEADHO Cc1cc(C)cc(C[NH2+]CCCNC(=O)CN2CC[C@H](C)C2)c1 ZINC001166667875 799915955 /nfs/dbraw/zinc/91/59/55/799915955.db2.gz KEEDUCMCJCELCB-HNNXBMFYSA-N 1 3 317.477 2.241 20 0 DEADHO C[C@H]([NH2+]CCCNC(=O)CN1CC[C@H](C)C1)c1ccccc1 ZINC001166677330 799918102 /nfs/dbraw/zinc/91/81/02/799918102.db2.gz HSQUIEDSTSCRKW-HOTGVXAUSA-N 1 3 303.450 2.185 20 0 DEADHO CC(C)(C)N1CC[C@](F)(C(=O)NCCC[NH2+]CC2CCC2)C1 ZINC001166687408 799921612 /nfs/dbraw/zinc/92/16/12/799921612.db2.gz QGLKTATYBAYLAV-QGZVFWFLSA-N 1 3 313.461 2.095 20 0 DEADHO C[C@H](F)CC[NH2+]CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001166687005 799921961 /nfs/dbraw/zinc/92/19/61/799921961.db2.gz GQLHBZHPYBTMFI-XJKSGUPXSA-N 1 3 319.440 2.043 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C ZINC001166866006 799967964 /nfs/dbraw/zinc/96/79/64/799967964.db2.gz LGAQVVVVUQVZPM-KRWDZBQOSA-N 1 3 316.449 2.104 20 0 DEADHO CCC[NH2+][C@@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C12CCC2 ZINC001203427005 800046335 /nfs/dbraw/zinc/04/63/35/800046335.db2.gz SCNLPUMHVXDDHI-CABCVRRESA-N 1 3 309.498 2.391 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1C[C@H]([NH2+]C/C=C/Cl)C12CCC2 ZINC001203523412 800070093 /nfs/dbraw/zinc/07/00/93/800070093.db2.gz QZLSEEJPRLXCTM-YESVKVCSSA-N 1 3 313.873 2.098 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCC(C)C)C12CCC2 ZINC001203630234 800093753 /nfs/dbraw/zinc/09/37/53/800093753.db2.gz FNPNPNDGSBOBAP-HZPDHXFCSA-N 1 3 309.498 2.391 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]C/C=C/Cl)C12CCC2 ZINC001203651323 800101050 /nfs/dbraw/zinc/10/10/50/800101050.db2.gz MWRYFVJTGUNTKQ-QLNSKBQOSA-N 1 3 313.873 2.098 20 0 DEADHO Cc1cc(CN2CCN(CC3CC[NH+](C)CC3)CC2)oc1C ZINC001204541538 800227302 /nfs/dbraw/zinc/22/73/02/800227302.db2.gz MMYPGCRSKGIMJB-UHFFFAOYSA-N 1 3 305.466 2.356 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CCC2CCCC2)CC1 ZINC001204798929 800259254 /nfs/dbraw/zinc/25/92/54/800259254.db2.gz OVBWKOBDBOYRNP-GOSISDBHSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)Oc1ccc(CN2CCC[C@@](O)(C[NH3+])CC2)c(F)c1 ZINC001205248363 800329884 /nfs/dbraw/zinc/32/98/84/800329884.db2.gz ONTQVAWSGFYYRJ-KRWDZBQOSA-N 1 3 310.413 2.289 20 0 DEADHO C[C@@H](F)CC[NH2+]CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001205469423 800361082 /nfs/dbraw/zinc/36/10/82/800361082.db2.gz CTNIPOIWIPNKBO-CQSZACIVSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H]1CN(Cc2cnn3ccc(Cl)nc23)CCC[C@H]1C[NH3+] ZINC001206036126 800462704 /nfs/dbraw/zinc/46/27/04/800462704.db2.gz GXGCMYBACJYQFS-NEPJUHHUSA-N 1 3 307.829 2.190 20 0 DEADHO Cc1cccnc1N1CCC[N@@H+](CC(C)(C)CN(C)C)CC1 ZINC001207285884 800724027 /nfs/dbraw/zinc/72/40/27/800724027.db2.gz PPDMJQMMKXEXBU-UHFFFAOYSA-N 1 3 304.482 2.490 20 0 DEADHO Cc1cccnc1N1CCC[N@H+](CC(C)(C)CN(C)C)CC1 ZINC001207285884 800724032 /nfs/dbraw/zinc/72/40/32/800724032.db2.gz PPDMJQMMKXEXBU-UHFFFAOYSA-N 1 3 304.482 2.490 20 0 DEADHO Cc1cc(OC2CC[NH+](CC(C)(C)CN(C)C)CC2)ncn1 ZINC001207284220 800724047 /nfs/dbraw/zinc/72/40/47/800724047.db2.gz MBHBFZOTQLFEIS-UHFFFAOYSA-N 1 3 306.454 2.216 20 0 DEADHO c1coc(C[N@H+]2C[C@@H]3C[C@@H](CN(C[C@@H]4CCCOC4)C3)C2)c1 ZINC001207469987 800761063 /nfs/dbraw/zinc/76/10/63/800761063.db2.gz WYWCQLYKRYRJEK-YESZJQIVSA-N 1 3 304.434 2.460 20 0 DEADHO c1coc(C[N@@H+]2C[C@@H]3C[C@@H](CN(C[C@@H]4CCCOC4)C3)C2)c1 ZINC001207469987 800761068 /nfs/dbraw/zinc/76/10/68/800761068.db2.gz WYWCQLYKRYRJEK-YESZJQIVSA-N 1 3 304.434 2.460 20 0 DEADHO COC(=O)CCN(Cc1ccco1)CC1(C)CC[NH+](C)CC1 ZINC001208106609 800913008 /nfs/dbraw/zinc/91/30/08/800913008.db2.gz IDOQSQHDOHWZLM-UHFFFAOYSA-N 1 3 308.422 2.377 20 0 DEADHO CN1C(=O)CCC12CCN(CC1(C[NH+](C)C)CCCC1)CC2 ZINC001208188720 800926949 /nfs/dbraw/zinc/92/69/49/800926949.db2.gz NGONZMIOXPNYHQ-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+]CCC(C)(C)C)C2)CCC1 ZINC001208331270 800956554 /nfs/dbraw/zinc/95/65/54/800956554.db2.gz PBLCBBIBNMTFJV-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001208335128 800957732 /nfs/dbraw/zinc/95/77/32/800957732.db2.gz QIXNGUCAKWVJKJ-SDKBWNRFSA-N 1 3 307.482 2.264 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001208454597 800986520 /nfs/dbraw/zinc/98/65/20/800986520.db2.gz YWPPKAWWZINXBR-KBPBESRZSA-N 1 3 301.450 2.045 20 0 DEADHO CN1CCC[C@@H](C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)C1 ZINC001208618005 801038290 /nfs/dbraw/zinc/03/82/90/801038290.db2.gz QVSAQSDOIUYSNJ-OCCSQVGLSA-N 1 3 308.388 2.354 20 0 DEADHO C[NH+](C)CC1(C(=O)N2CCC[C@@H](NCCF)C2)CCCCC1 ZINC001208747503 801061580 /nfs/dbraw/zinc/06/15/80/801061580.db2.gz CATQUPPJOJOXQV-OAHLLOKOSA-N 1 3 313.461 2.049 20 0 DEADHO COCCCCN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001209216530 801154229 /nfs/dbraw/zinc/15/42/29/801154229.db2.gz YNPQZHKQFMZCLF-MSOLQXFVSA-N 1 3 310.482 2.093 20 0 DEADHO COCCCCN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001209216530 801154231 /nfs/dbraw/zinc/15/42/31/801154231.db2.gz YNPQZHKQFMZCLF-MSOLQXFVSA-N 1 3 310.482 2.093 20 0 DEADHO CC(C)CCC[NH2+][C@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001209631955 801238254 /nfs/dbraw/zinc/23/82/54/801238254.db2.gz IWGOSPMGAIXLGB-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001209633366 801240573 /nfs/dbraw/zinc/24/05/73/801240573.db2.gz TTZZBCBYJNDZQF-OLZOCXBDSA-N 1 3 321.387 2.004 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CCC(C)(C)C)C2)C1 ZINC001209642498 801243308 /nfs/dbraw/zinc/24/33/08/801243308.db2.gz OCOZLANMMFGRAO-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1CN(Cc2c[nH+]ccc2N)CCC[C@]1(O)C(F)(F)F ZINC001209729389 801266190 /nfs/dbraw/zinc/26/61/90/801266190.db2.gz JIDZMKDGKPXYCS-ZWNOBZJWSA-N 1 3 303.328 2.019 20 0 DEADHO CCN(CC)CC(=O)NC1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001229678249 801303810 /nfs/dbraw/zinc/30/38/10/801303810.db2.gz AFASUGAZNOZGNX-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CCN(CC)CC(=O)NC1CC[NH+](CCCC2CCC2)CC1 ZINC001229678906 801303973 /nfs/dbraw/zinc/30/39/73/801303973.db2.gz NCSULCCJDJVWLE-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001210219077 801353091 /nfs/dbraw/zinc/35/30/91/801353091.db2.gz SMTMFFLXUKAHFS-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CC[C@H](F)CN[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211240766 801535442 /nfs/dbraw/zinc/53/54/42/801535442.db2.gz PMHFPDPPJRSKFH-HOTGVXAUSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C)N1CCCC1 ZINC001211376239 801557023 /nfs/dbraw/zinc/55/70/23/801557023.db2.gz IJZVNKVMACQIIZ-NXHRZFHOSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C)N1CCCC1 ZINC001211376239 801557029 /nfs/dbraw/zinc/55/70/29/801557029.db2.gz IJZVNKVMACQIIZ-NXHRZFHOSA-N 1 3 321.509 2.343 20 0 DEADHO CCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001214634589 801742276 /nfs/dbraw/zinc/74/22/76/801742276.db2.gz QJLRAGRYJOWHFR-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO c1ccc(CN2CC[C@H]3C[N@@H+](CCc4cnccn4)C[C@H]3C2)cc1 ZINC000402749423 801906059 /nfs/dbraw/zinc/90/60/59/801906059.db2.gz YJWXMDOKYCBDBP-RBUKOAKNSA-N 1 3 322.456 2.473 20 0 DEADHO c1ccc(CN2CC[C@H]3C[N@H+](CCc4cnccn4)C[C@H]3C2)cc1 ZINC000402749423 801906065 /nfs/dbraw/zinc/90/60/65/801906065.db2.gz YJWXMDOKYCBDBP-RBUKOAKNSA-N 1 3 322.456 2.473 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCC2)C1 ZINC001216002541 801925296 /nfs/dbraw/zinc/92/52/96/801925296.db2.gz UPOJFGMNHVJNBB-NVXWUHKLSA-N 1 3 309.498 2.345 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC(C)C)C1 ZINC001216845089 802031867 /nfs/dbraw/zinc/03/18/67/802031867.db2.gz WZQKIISIBLPDNB-ZACQAIPSSA-N 1 3 309.498 2.343 20 0 DEADHO Nc1cccc(C[NH+]2C[C@H]3CN(Cc4cccs4)C[C@@H]3C2)n1 ZINC001233369398 802093162 /nfs/dbraw/zinc/09/31/62/802093162.db2.gz MXQSSEBHCPLZPR-KBPBESRZSA-N 1 3 314.458 2.289 20 0 DEADHO c1ccc2c(c1)CNC[C@@H]2OC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001217940394 802120703 /nfs/dbraw/zinc/12/07/03/802120703.db2.gz FGUMWXBPQJGVEW-WMZOPIPTSA-N 1 3 316.445 2.396 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cc(CC(C)(C)C)no1 ZINC001218520055 802196369 /nfs/dbraw/zinc/19/63/69/802196369.db2.gz IYHVVZXTOKXVII-ZDUSSCGKSA-N 1 3 310.442 2.261 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc(-n2cccc2)cc1 ZINC001218814177 802245034 /nfs/dbraw/zinc/24/50/34/802245034.db2.gz NZNDDQPQQTZQHS-KRWDZBQOSA-N 1 3 314.433 2.475 20 0 DEADHO CCCc1nc2ccc(NC(=O)[C@H](N)C3CC[NH2+]CC3)cc2o1 ZINC001218867877 802252343 /nfs/dbraw/zinc/25/23/43/802252343.db2.gz UPBJNRIIPQEEKH-MRXNPFEDSA-N 1 3 316.405 2.046 20 0 DEADHO CC(C)(C[NH3+])c1ccc(NC(=O)C2(N)Cc3ccccc3C2)cc1 ZINC001218899360 802256133 /nfs/dbraw/zinc/25/61/33/802256133.db2.gz YVPCZHKCHVXPJF-UHFFFAOYSA-N 1 3 323.440 2.358 20 0 DEADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001218993039 802272409 /nfs/dbraw/zinc/27/24/09/802272409.db2.gz IOCHMFWWCWZQLQ-SFHVURJKSA-N 1 3 313.376 2.328 20 0 DEADHO CC(C)(C)OC(=O)c1ccccc1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001219308657 802309416 /nfs/dbraw/zinc/30/94/16/802309416.db2.gz FGUIOSZQCXNHFW-ZDUSSCGKSA-N 1 3 321.421 2.037 20 0 DEADHO Cc1ccc([C@H](C)NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)nc1 ZINC001220267042 802436437 /nfs/dbraw/zinc/43/64/37/802436437.db2.gz ZAVYAIHUZSDXPB-GJZGRUSLSA-N 1 3 306.454 2.063 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H](N)CCCC[NH+](C)C)c2ccccc21 ZINC001220333276 802445394 /nfs/dbraw/zinc/44/53/94/802445394.db2.gz SULZHLBFUVBLDD-COXVUDFISA-N 1 3 303.450 2.410 20 0 DEADHO [NH3+]C12CCC(C(=O)NCCc3cnc4cc[nH]cc3-4)(CC1)CC2 ZINC001220865744 802506192 /nfs/dbraw/zinc/50/61/92/802506192.db2.gz JPSYNXVFRCFEMF-UHFFFAOYSA-N 1 3 312.417 2.273 20 0 DEADHO [NH3+]C12CCC(C(=O)NCCc3c[nH]c4ccncc34)(CC1)CC2 ZINC001220865744 802506199 /nfs/dbraw/zinc/50/61/99/802506199.db2.gz JPSYNXVFRCFEMF-UHFFFAOYSA-N 1 3 312.417 2.273 20 0 DEADHO CCc1ccc(CN(CC[NH3+])C(=O)[C@@H](N)CC2CCC2)cc1 ZINC001220905602 802511663 /nfs/dbraw/zinc/51/16/63/802511663.db2.gz ZPVUABHVFLVQBS-KRWDZBQOSA-N 1 3 303.450 2.054 20 0 DEADHO Cc1ccccc1CC(C)(C)CNC(=O)[C@@H](N)CCCC[NH3+] ZINC001221160524 802533541 /nfs/dbraw/zinc/53/35/41/802533541.db2.gz TTXWZXNFSQWUFR-INIZCTEOSA-N 1 3 305.466 2.136 20 0 DEADHO CC(C)Cc1ccc([C@H](C)NC(=O)[C@H](N)C2CC[NH2+]CC2)cc1 ZINC001221295926 802550816 /nfs/dbraw/zinc/55/08/16/802550816.db2.gz UHTFBQPPWVGZGY-KBXCAEBGSA-N 1 3 317.477 2.389 20 0 DEADHO c1cc2n(c1CN1CCCC[C@@]3(CCCC[NH2+]C3)C1)CCNC2 ZINC001222168133 802650358 /nfs/dbraw/zinc/65/03/58/802650358.db2.gz VGUIOHNIHSIBHX-LJQANCHMSA-N 1 3 316.493 2.337 20 0 DEADHO CC(C)CC[NH+]1CCC(CNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001223471924 802792946 /nfs/dbraw/zinc/79/29/46/802792946.db2.gz HHZZICIMZXVGBO-KRWDZBQOSA-N 1 3 309.498 2.201 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC1CC[NH+](CC2CCC2)CC1 ZINC001223654597 802806084 /nfs/dbraw/zinc/80/60/84/802806084.db2.gz NCTDYSVGDOHOPD-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1CCCN(Cc2cccc(C)c2)C1 ZINC001369850081 1149274688 /nfs/dbraw/zinc/27/46/88/1149274688.db2.gz YFYYEIBPOMPIFT-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCCN(Cc2cccc(C)c2)C1 ZINC001369850081 1149274696 /nfs/dbraw/zinc/27/46/96/1149274696.db2.gz YFYYEIBPOMPIFT-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CC[C@@H](F)CN1CCC2(C[C@@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001370086769 1149383109 /nfs/dbraw/zinc/38/31/09/1149383109.db2.gz FKEXOQWDXQYQQG-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CC[C@@H](C)F)N(C)C ZINC001418817174 1167984476 /nfs/dbraw/zinc/98/44/76/1167984476.db2.gz JJZDLPUORKKABA-OWCLPIDISA-N 1 3 315.477 2.388 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)CC[C@@H](C)F)N(C)C ZINC001418817174 1167984481 /nfs/dbraw/zinc/98/44/81/1167984481.db2.gz JJZDLPUORKKABA-OWCLPIDISA-N 1 3 315.477 2.388 20 0 DEADHO CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001419994584 1169043996 /nfs/dbraw/zinc/04/39/96/1169043996.db2.gz OAJVBZGHUWHWGU-NVXWUHKLSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@H](NC/C(Cl)=C/Cl)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001368332831 1148415825 /nfs/dbraw/zinc/41/58/25/1148415825.db2.gz JHUKZUXCCHIWLC-JTXXYJNRSA-N 1 3 322.280 2.084 20 0 DEADHO O=C(CCC[NH+]1CCCC1)NCC1(NC/C=C\Cl)CCC1 ZINC001368494803 1148467195 /nfs/dbraw/zinc/46/71/95/1148467195.db2.gz GPOOZHHZHZDHNH-UITAMQMPSA-N 1 3 313.873 2.243 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)CC1)N(C)C ZINC001368512299 1148472376 /nfs/dbraw/zinc/47/23/76/1148472376.db2.gz KACHXPIDRHXVHE-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)CC1)N(C)C ZINC001368512299 1148472377 /nfs/dbraw/zinc/47/23/77/1148472377.db2.gz KACHXPIDRHXVHE-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001328766469 1148833457 /nfs/dbraw/zinc/83/34/57/1148833457.db2.gz XFGHGAMJWYYYKJ-IAGOWNOFSA-N 1 3 309.498 2.462 20 0 DEADHO CC(C)=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001328766469 1148833458 /nfs/dbraw/zinc/83/34/58/1148833458.db2.gz XFGHGAMJWYYYKJ-IAGOWNOFSA-N 1 3 309.498 2.462 20 0 DEADHO CC/C=C/CC[NH2+]CC1CC(NC(=O)CN2CC[C@H](C)C2)C1 ZINC001328915974 1148847656 /nfs/dbraw/zinc/84/76/56/1148847656.db2.gz UIACITNGSIWGSE-MGXIWDSBSA-N 1 3 307.482 2.169 20 0 DEADHO Cc1cccc(CN2CC[C@H](NC(=O)[C@@H](C)CC[NH+](C)C)C2)c1 ZINC001454311774 1057478057 /nfs/dbraw/zinc/47/80/57/1057478057.db2.gz KGHGTVOGFYTVPV-WMZOPIPTSA-N 1 3 317.477 2.273 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC001500281308 1058666260 /nfs/dbraw/zinc/66/62/60/1058666260.db2.gz UHNYNTPLGLHZHI-IBGZPJMESA-N 1 3 317.477 2.499 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC001500281308 1058666275 /nfs/dbraw/zinc/66/62/75/1058666275.db2.gz UHNYNTPLGLHZHI-IBGZPJMESA-N 1 3 317.477 2.499 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC001467687193 1059683532 /nfs/dbraw/zinc/68/35/32/1059683532.db2.gz OCFKZHDHMYACQA-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO Cc1cc(CN(C)C[C@H]2CCCN2C(=O)CC[NH+](C)C)cs1 ZINC001505444720 1060609205 /nfs/dbraw/zinc/60/92/05/1060609205.db2.gz GOFWRZCILYQICE-MRXNPFEDSA-N 1 3 323.506 2.431 20 0 DEADHO CN(C)C1(C(=O)NC2CC(C[NH2+]Cc3ccsc3)C2)CCC1 ZINC001505501651 1060661678 /nfs/dbraw/zinc/66/16/78/1060661678.db2.gz DOOVTJAFKZUAAY-UHFFFAOYSA-N 1 3 321.490 2.217 20 0 DEADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]CC1=CCCCC1 ZINC001505625771 1060790891 /nfs/dbraw/zinc/79/08/91/1060790891.db2.gz NNBWVYFQPMFMQO-LSDHHAIUSA-N 1 3 307.482 2.454 20 0 DEADHO Cc1cc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)n[nH]1 ZINC001474000631 1060790813 /nfs/dbraw/zinc/79/08/13/1060790813.db2.gz KXPZXAMXLLRWLZ-UHFFFAOYSA-N 1 3 314.433 2.483 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+]Cc2ccnc(F)c2)CC1 ZINC001474651327 1060909926 /nfs/dbraw/zinc/90/99/26/1060909926.db2.gz LLAAMUXFUKZRAJ-UHFFFAOYSA-N 1 3 307.413 2.344 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001505737180 1060915535 /nfs/dbraw/zinc/91/55/35/1060915535.db2.gz BHTNQBXQAOIBJD-NWDGAFQWSA-N 1 3 306.454 2.180 20 0 DEADHO CN(CC(=O)N(C)CC(C)(C)C[NH2+]CC1CC1)CC(C)(C)C ZINC001505833389 1061014081 /nfs/dbraw/zinc/01/40/81/1061014081.db2.gz FUPVUSOUBRMQFJ-UHFFFAOYSA-N 1 3 311.514 2.449 20 0 DEADHO CCCC[NH2+][C@H]1CCCCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001479691939 1061605208 /nfs/dbraw/zinc/60/52/08/1061605208.db2.gz GZATVSBYUJETIS-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001506065273 1061634743 /nfs/dbraw/zinc/63/47/43/1061634743.db2.gz MGSMMLVGNBAHLH-CRAIPNDOSA-N 1 3 317.477 2.451 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001506065273 1061634751 /nfs/dbraw/zinc/63/47/51/1061634751.db2.gz MGSMMLVGNBAHLH-CRAIPNDOSA-N 1 3 317.477 2.451 20 0 DEADHO CN(CC(=O)N1CCC[C@@H](C[NH2+]C/C=C/Cl)C1)C1CCC1 ZINC001480286230 1062587947 /nfs/dbraw/zinc/58/79/47/1062587947.db2.gz OOFVJIHYPIOFRP-PXYYCUNGSA-N 1 3 313.873 2.051 20 0 DEADHO C[C@H](CN(C)C(=O)CCC[NH+]1CCCC1)NC/C=C\Cl ZINC001507161540 1062933444 /nfs/dbraw/zinc/93/34/44/1062933444.db2.gz LYFLLABJYOBWIZ-IQCBXXCUSA-N 1 3 301.862 2.051 20 0 DEADHO Cc1cccc(Cl)c1CN[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001480590929 1063081596 /nfs/dbraw/zinc/08/15/96/1063081596.db2.gz XZBHOQSOPBXIPF-UONOGXRCSA-N 1 3 323.868 2.194 20 0 DEADHO Cc1cccc(Cl)c1CN[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001480590929 1063081618 /nfs/dbraw/zinc/08/16/18/1063081618.db2.gz XZBHOQSOPBXIPF-UONOGXRCSA-N 1 3 323.868 2.194 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C[C@@H]1C ZINC001507326767 1063101852 /nfs/dbraw/zinc/10/18/52/1063101852.db2.gz GPDYEVUOEZIBLG-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]C/C(Cl)=C\Cl)C1 ZINC001480675871 1063174282 /nfs/dbraw/zinc/17/42/82/1063174282.db2.gz JJGRQLFLFAONPD-ALFJJAPYSA-N 1 3 322.280 2.085 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[C@@H]2CCC[N@@H+]2CC2CC2)C1 ZINC001480830091 1063413180 /nfs/dbraw/zinc/41/31/80/1063413180.db2.gz HPMUTMPLUNKPJB-DOTOQJQBSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[C@@H]2CCC[N@H+]2CC2CC2)C1 ZINC001480830091 1063413184 /nfs/dbraw/zinc/41/31/84/1063413184.db2.gz HPMUTMPLUNKPJB-DOTOQJQBSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C1CC[NH+](CC[C@H](C)F)CC1 ZINC001508091784 1063549111 /nfs/dbraw/zinc/54/91/11/1063549111.db2.gz PMVNHVCESGCUSB-GJZGRUSLSA-N 1 3 315.477 2.291 20 0 DEADHO CC[C@H](F)CN1CC[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001493269746 1063681853 /nfs/dbraw/zinc/68/18/53/1063681853.db2.gz YTFHKRYCOJQECD-HOTGVXAUSA-N 1 3 313.461 2.049 20 0 DEADHO Cc1ccc(CC[NH2+]CCN(C)C(=O)C2(N(C)C)CCC2)cc1 ZINC001493574256 1063871021 /nfs/dbraw/zinc/87/10/21/1063871021.db2.gz DWKJWIPYADETJJ-UHFFFAOYSA-N 1 3 317.477 2.070 20 0 DEADHO CN(CC(=O)N(C)CC[NH2+]CC1CC(C)(C)C1)CC(C)(C)C ZINC001493694881 1063922069 /nfs/dbraw/zinc/92/20/69/1063922069.db2.gz AJLLZOXGILYJPB-UHFFFAOYSA-N 1 3 311.514 2.449 20 0 DEADHO CN(CCNC(=O)C(C)(C)[NH+]1CCCC1)CC1=CCCCC1 ZINC001567296579 1064138737 /nfs/dbraw/zinc/13/87/37/1064138737.db2.gz PTLDDJHSWBZZTB-UHFFFAOYSA-N 1 3 307.482 2.409 20 0 DEADHO CC(C)=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001567621627 1064285813 /nfs/dbraw/zinc/28/58/13/1064285813.db2.gz XAMXLVBUKPSWIB-DOTOQJQBSA-N 1 3 307.482 2.264 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@](C)(C[NH2+]CC1CCCC1)C1CC1 ZINC001495296119 1064814978 /nfs/dbraw/zinc/81/49/78/1064814978.db2.gz BYJIKSZOFACHLG-GOSISDBHSA-N 1 3 318.465 2.325 20 0 DEADHO Cc1cccc(C[NH2+]C/C=C/CNC(=O)C2(N(C)C)CCC2)c1 ZINC001568861986 1065163797 /nfs/dbraw/zinc/16/37/97/1065163797.db2.gz CQRJZEFHBMNZDA-SNAWJCMRSA-N 1 3 315.461 2.241 20 0 DEADHO Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCCN2C)cc1 ZINC001569229944 1065380228 /nfs/dbraw/zinc/38/02/28/1065380228.db2.gz MOIVUQYZCAUXGX-QGZVFWFLSA-N 1 3 303.450 2.027 20 0 DEADHO CCCCCN1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001569369621 1065465082 /nfs/dbraw/zinc/46/50/82/1065465082.db2.gz IKBLJTUHDMWMBC-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO CCCCCN1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001569369621 1065465089 /nfs/dbraw/zinc/46/50/89/1065465089.db2.gz IKBLJTUHDMWMBC-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO CCCCC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001569478679 1065533271 /nfs/dbraw/zinc/53/32/71/1065533271.db2.gz MGWOZAXNQDFFCM-MJGOQNOKSA-N 1 3 321.509 2.443 20 0 DEADHO CCCCC[N@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001569478679 1065533285 /nfs/dbraw/zinc/53/32/85/1065533285.db2.gz MGWOZAXNQDFFCM-MJGOQNOKSA-N 1 3 321.509 2.443 20 0 DEADHO CC/C=C\CC[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001569685148 1065670555 /nfs/dbraw/zinc/67/05/55/1065670555.db2.gz LXCOJRQAIKBGQB-CHYADLBTSA-N 1 3 304.438 2.137 20 0 DEADHO C[C@H](c1ccccc1)N(C)CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001496817348 1065732202 /nfs/dbraw/zinc/73/22/02/1065732202.db2.gz XFBPBPFXVPRHOD-IAGOWNOFSA-N 1 3 317.477 2.480 20 0 DEADHO C[C@H](c1ccccc1)N(C)CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001496817348 1065732211 /nfs/dbraw/zinc/73/22/11/1065732211.db2.gz XFBPBPFXVPRHOD-IAGOWNOFSA-N 1 3 317.477 2.480 20 0 DEADHO CCCCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001569824213 1065744316 /nfs/dbraw/zinc/74/43/16/1065744316.db2.gz OLNWEOWGZGXGRZ-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@H]2CN(C(=O)CN(C)CCC)C[C@H]2C1 ZINC001569881340 1065789052 /nfs/dbraw/zinc/78/90/52/1065789052.db2.gz CEANHQQDGKYQKC-BORUEMGLSA-N 1 3 307.482 2.075 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@H]2CN(C(=O)CN(C)CCC)C[C@H]2C1 ZINC001569881340 1065789062 /nfs/dbraw/zinc/78/90/62/1065789062.db2.gz CEANHQQDGKYQKC-BORUEMGLSA-N 1 3 307.482 2.075 20 0 DEADHO CCN(CCNC/C=C/Cl)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001497463899 1066106955 /nfs/dbraw/zinc/10/69/55/1066106955.db2.gz JFKLOGDTDATYNU-LOWQCSRCSA-N 1 3 315.889 2.440 20 0 DEADHO CCN(CCNC/C=C/Cl)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001497463899 1066106959 /nfs/dbraw/zinc/10/69/59/1066106959.db2.gz JFKLOGDTDATYNU-LOWQCSRCSA-N 1 3 315.889 2.440 20 0 DEADHO CCN(CC[NH2+][C@@H](C)c1ccccc1)C(=O)CN1CCCC1 ZINC001497495224 1066115328 /nfs/dbraw/zinc/11/53/28/1066115328.db2.gz ALDXXUSVDYLXGN-INIZCTEOSA-N 1 3 303.450 2.282 20 0 DEADHO C[C@H]1CCN(CC(=O)NC/C=C\C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001497679726 1066232177 /nfs/dbraw/zinc/23/21/77/1066232177.db2.gz IWDZDGDOEHDJFT-YPQKKHBXSA-N 1 3 319.493 2.171 20 0 DEADHO CC(C)N(C)CC(=O)NC/C=C\C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001497763297 1066293786 /nfs/dbraw/zinc/29/37/86/1066293786.db2.gz LAZALBMTYKCKRC-YVACAVLKSA-N 1 3 321.440 2.489 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC1CC(C)(C)C1 ZINC001498051809 1066479583 /nfs/dbraw/zinc/47/95/83/1066479583.db2.gz XQWYGTIOYRIICH-GOEBONIOSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]C/C=C/c1ccccc1)N(C)C ZINC001498054503 1066480905 /nfs/dbraw/zinc/48/09/05/1066480905.db2.gz RWYSXYLAEGUQKG-RHSNYOTESA-N 1 3 317.477 2.380 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CNCc1ccns1 ZINC001498133395 1066521894 /nfs/dbraw/zinc/52/18/94/1066521894.db2.gz VGIBIQKIDVYLNY-DZGCQCFKSA-N 1 3 324.494 2.000 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CNCc1ccns1 ZINC001498133395 1066521901 /nfs/dbraw/zinc/52/19/01/1066521901.db2.gz VGIBIQKIDVYLNY-DZGCQCFKSA-N 1 3 324.494 2.000 20 0 DEADHO CC1(C)CCN(CCNC(=O)[C@@H]2[NH2+]CC[C@@H]3CCCC[C@H]23)C1 ZINC001576439421 1066606978 /nfs/dbraw/zinc/60/69/78/1066606978.db2.gz ASDVHEHRFLJBLG-HRCADAONSA-N 1 3 307.482 2.003 20 0 DEADHO Cc1cccc(C[N@@H+](C)C[C@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001498314465 1066627964 /nfs/dbraw/zinc/62/79/64/1066627964.db2.gz TZCZDKLHNWHDLW-INIZCTEOSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1cccc(C[N@H+](C)C[C@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001498314465 1066627966 /nfs/dbraw/zinc/62/79/66/1066627966.db2.gz TZCZDKLHNWHDLW-INIZCTEOSA-N 1 3 317.477 2.416 20 0 DEADHO C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](N)C2)CCN1C(=O)OC(C)(C)C ZINC001576600241 1066643516 /nfs/dbraw/zinc/64/35/16/1066643516.db2.gz ZUOQWRIENZUNPW-ILXRZTDVSA-N 1 3 311.470 2.445 20 0 DEADHO C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](N)C2)CCN1C(=O)OC(C)(C)C ZINC001576600241 1066643520 /nfs/dbraw/zinc/64/35/20/1066643520.db2.gz ZUOQWRIENZUNPW-ILXRZTDVSA-N 1 3 311.470 2.445 20 0 DEADHO C[C@@H]1C[C@H]1c1noc(CC2CCN(CC(C)(C)C[NH3+])CC2)n1 ZINC001576636436 1066650463 /nfs/dbraw/zinc/65/04/63/1066650463.db2.gz VPNJYMBDWXYBTP-TZMCWYRMSA-N 1 3 306.454 2.432 20 0 DEADHO C[C@@H]1CCN(C[C@@H]2CC[NH2+]C2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001576729273 1066672589 /nfs/dbraw/zinc/67/25/89/1066672589.db2.gz IWYZLNXBDLXNEU-RBSFLKMASA-N 1 3 311.470 2.079 20 0 DEADHO Cc1ccc(CN(C)C[C@@H](C)NC(=O)CC[NH+](C)C)cc1F ZINC001498394808 1066677554 /nfs/dbraw/zinc/67/75/54/1066677554.db2.gz MFGNVGNQENAIHC-CQSZACIVSA-N 1 3 309.429 2.022 20 0 DEADHO CCC(CC)(C[NH3+])CNC[C@@]1(COC)OCCc2ccccc21 ZINC001577052559 1066754447 /nfs/dbraw/zinc/75/44/47/1066754447.db2.gz WXJLTCYHKZLASX-IBGZPJMESA-N 1 3 320.477 2.456 20 0 DEADHO CC1CC(C[NH2+]C[C@H](NC(=O)C2(N(C)C)CCC2)C2CC2)C1 ZINC001498770244 1066877395 /nfs/dbraw/zinc/87/73/95/1066877395.db2.gz MQRWULPNJSWKSV-XUJLQICISA-N 1 3 307.482 2.001 20 0 DEADHO CCCn1cc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c(C)n1 ZINC001577622334 1066887357 /nfs/dbraw/zinc/88/73/57/1066887357.db2.gz LPVFLRZAIVVVGB-ROUUACIJSA-N 1 3 320.481 2.320 20 0 DEADHO CC[NH2+][C@H](C)C(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001577800755 1066929664 /nfs/dbraw/zinc/92/96/64/1066929664.db2.gz YHSVSFJBNXFPLO-NVXWUHKLSA-N 1 3 303.450 2.107 20 0 DEADHO CCOC(=O)[C@@H]1CN(CCCCCCC[NH3+])CCC1(F)F ZINC001577935739 1066955482 /nfs/dbraw/zinc/95/54/82/1066955482.db2.gz DEDJUMVUQSXABA-ZDUSSCGKSA-N 1 3 306.397 2.416 20 0 DEADHO C[NH+](C)Cc1ccc(NC(=O)C2(N)CC2)cc1C(F)(F)F ZINC001578421312 1067093474 /nfs/dbraw/zinc/09/34/74/1067093474.db2.gz OIZHKLMCDNRFJG-UHFFFAOYSA-N 1 3 301.312 2.197 20 0 DEADHO CN1CC[C@H]([NH2+]C[C@H](N)CC(F)F)[C@H]1c1ccc(F)cc1 ZINC001578525324 1067123256 /nfs/dbraw/zinc/12/32/56/1067123256.db2.gz VVVHAQRBCLQAAV-VNHYZAJKSA-N 1 3 301.356 2.143 20 0 DEADHO CN1CC[C@H](NC[C@H]([NH3+])CC(F)F)[C@H]1c1ccc(F)cc1 ZINC001578525324 1067123259 /nfs/dbraw/zinc/12/32/59/1067123259.db2.gz VVVHAQRBCLQAAV-VNHYZAJKSA-N 1 3 301.356 2.143 20 0 DEADHO CN(C(=O)N[C@H](CCC[NH3+])c1ccccc1)[C@@H]1CCCN(C)C1 ZINC001578528507 1067125345 /nfs/dbraw/zinc/12/53/45/1067125345.db2.gz HGARZUKHNGUPQL-IAGOWNOFSA-N 1 3 318.465 2.202 20 0 DEADHO CNC[C@@H](O)C[NH2+][C@H](COc1c(C)cccc1C)C(C)(C)C ZINC001578654009 1067144862 /nfs/dbraw/zinc/14/48/62/1067144862.db2.gz GSYVLMUTMKLGPB-HZPDHXFCSA-N 1 3 308.466 2.267 20 0 DEADHO COC(=O)[C@H](C)Oc1ccc(C[NH2+][C@@H]2[C@H](C)CCN[C@H]2C)cc1 ZINC001578769467 1067166987 /nfs/dbraw/zinc/16/69/87/1067166987.db2.gz XXVDTLIXRUQEDS-XJIUQZFPSA-N 1 3 320.433 2.103 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN2CC[C@@H](C(C)(C)C)[C@H](O)C2)cc1 ZINC001579193937 1067253654 /nfs/dbraw/zinc/25/36/54/1067253654.db2.gz IBZIAWYCQSXLGK-KBAYOESNSA-N 1 3 320.477 2.466 20 0 DEADHO COc1cccc(NC(=O)CC[NH2+][C@H]2CCCC[C@@H]2CN)c1 ZINC001579280698 1067285961 /nfs/dbraw/zinc/28/59/61/1067285961.db2.gz NXYAGDFKXFDPNU-CJNGLKHVSA-N 1 3 305.422 2.131 20 0 DEADHO COc1cccc(NC(=O)CCN[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC001579280698 1067285971 /nfs/dbraw/zinc/28/59/71/1067285971.db2.gz NXYAGDFKXFDPNU-CJNGLKHVSA-N 1 3 305.422 2.131 20 0 DEADHO CSc1ccc([C@@H](CNC(=O)C2([NH3+])CCC2)N(C)C)cc1 ZINC001579388408 1067325073 /nfs/dbraw/zinc/32/50/73/1067325073.db2.gz ZHSBHJRSKDJFHA-CQSZACIVSA-N 1 3 307.463 2.009 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)[C@H]1[NH2+]CC1(C)C ZINC001579737802 1067414003 /nfs/dbraw/zinc/41/40/03/1067414003.db2.gz PKGKHILLFOOBIA-HYVNUMGLSA-N 1 3 313.445 2.127 20 0 DEADHO Cc1nnsc1[C@H](C)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001579915707 1067451914 /nfs/dbraw/zinc/45/19/14/1067451914.db2.gz RZHGIDPMHMPEDE-XUXIUFHCSA-N 1 3 310.467 2.126 20 0 DEADHO N[C@@H](C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)C1CCC1 ZINC001580109070 1067496609 /nfs/dbraw/zinc/49/66/09/1067496609.db2.gz JWQQXECDWHXPCE-QGZVFWFLSA-N 1 3 307.482 2.228 20 0 DEADHO [NH3+]C1(CCN2CCCC[C@@H]2[C@@H](O)c2ccccc2)CCOCC1 ZINC001580144480 1067509155 /nfs/dbraw/zinc/50/91/55/1067509155.db2.gz SDAGZPVBJPRPPP-MSOLQXFVSA-N 1 3 318.461 2.473 20 0 DEADHO [NH3+][C@@H]1C[C@@H](NCCc2cnc3ccccc3c2)C12CCOCC2 ZINC001580162643 1067512882 /nfs/dbraw/zinc/51/28/82/1067512882.db2.gz CONWBCCSYPEQHD-QZTJIDSGSA-N 1 3 311.429 2.263 20 0 DEADHO [NH3+][C@@H]1C[C@@H](NCCc2ccc3c(c2)OCCCO3)C12CCC2 ZINC001580165300 1067515251 /nfs/dbraw/zinc/51/52/51/1067515251.db2.gz UOEGOQXFAQJPGA-IAGOWNOFSA-N 1 3 302.418 2.250 20 0 DEADHO CN(CCC[NH2+][C@@H]1CCc2ccccc21)C(=O)[C@@H]1CCCN1C ZINC001483455844 1078544151 /nfs/dbraw/zinc/54/41/51/1078544151.db2.gz FVQYBRFMUYSSCJ-MSOLQXFVSA-N 1 3 315.461 2.206 20 0 DEADHO CN(C)C1(C(=O)N(C)[C@H](C[NH2+]C/C=C\Cl)C2CC2)CCC1 ZINC001571361514 1068248463 /nfs/dbraw/zinc/24/84/63/1068248463.db2.gz PXDUAIQMEWWHMH-XTXQVDMPSA-N 1 3 313.873 2.050 20 0 DEADHO C[C@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001496155333 1078760933 /nfs/dbraw/zinc/76/09/33/1078760933.db2.gz TWKJYVAVTKTOJO-HZPDHXFCSA-N 1 3 307.482 2.265 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@@H]1CCN1CC/C=C\c1ccccc1 ZINC001483675718 1078775456 /nfs/dbraw/zinc/77/54/56/1078775456.db2.gz DLVCACMCONPRTI-TWVNLXSWSA-N 1 3 315.461 2.232 20 0 DEADHO C[NH+](C)CCCNC[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001656625464 1080107557 /nfs/dbraw/zinc/10/75/57/1080107557.db2.gz XQACQXSHTNPOCB-NSHDSACASA-N 1 3 309.401 2.076 20 0 DEADHO Cc1ccccc1C[NH2+]CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001267384227 1078818388 /nfs/dbraw/zinc/81/83/88/1078818388.db2.gz NUGCCYJBZOMLLS-UHFFFAOYSA-N 1 3 303.450 2.027 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@H]1CCCCN1C ZINC001519752866 1069071614 /nfs/dbraw/zinc/07/16/14/1069071614.db2.gz LXJUFVMBMXVJRZ-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC[C@H]1CCCCN1C ZINC001519752866 1069071616 /nfs/dbraw/zinc/07/16/16/1069071616.db2.gz LXJUFVMBMXVJRZ-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO Cc1ccc(CC[NH2+]CCN(C)C(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001267425462 1078844204 /nfs/dbraw/zinc/84/42/04/1078844204.db2.gz YCANBCQDWQEZFN-GOSISDBHSA-N 1 3 319.493 2.172 20 0 DEADHO C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1nc2c(s1)CNCC2 ZINC001574796594 1069266058 /nfs/dbraw/zinc/26/60/58/1069266058.db2.gz YHUKAYJDVIKIKD-AWEZNQCLSA-N 1 3 320.506 2.143 20 0 DEADHO C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1nc2c(s1)CNCC2 ZINC001574796594 1069266066 /nfs/dbraw/zinc/26/60/66/1069266066.db2.gz YHUKAYJDVIKIKD-AWEZNQCLSA-N 1 3 320.506 2.143 20 0 DEADHO CC(C)=CCN(C)CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001480951276 1078899378 /nfs/dbraw/zinc/89/93/78/1078899378.db2.gz UVJRAWDPTFFERJ-UHFFFAOYSA-N 1 3 303.450 2.376 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001544170000 1072520180 /nfs/dbraw/zinc/52/01/80/1072520180.db2.gz UBPOJUWEWZLEMV-KBPBESRZSA-N 1 3 306.454 2.135 20 0 DEADHO N[C@H](C(=O)N1C[C@@H](CC[NH3+])c2ccccc21)C1CCCCC1 ZINC001548578781 1072694821 /nfs/dbraw/zinc/69/48/21/1072694821.db2.gz MFBVHBGCEZDGRW-PBHICJAKSA-N 1 3 301.434 2.373 20 0 DEADHO CCn1cc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CCN[C@H](C)C2)cn1 ZINC001549338486 1073131182 /nfs/dbraw/zinc/13/11/82/1073131182.db2.gz RDFBMCACNKFGKL-MUIFIZLQSA-N 1 3 306.454 2.101 20 0 DEADHO CC[NH+](CC)CC1CCN(C(=O)[C@@H](N)C2CCCCC2)CC1 ZINC001645892891 1079041623 /nfs/dbraw/zinc/04/16/23/1079041623.db2.gz MGYPFBSAAJQSRO-KRWDZBQOSA-N 1 3 309.498 2.474 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001168762653 1087180389 /nfs/dbraw/zinc/18/03/89/1087180389.db2.gz FPVYOJHGVRQKFR-GFCCVEGCSA-N 1 3 324.296 2.008 20 0 DEADHO CC[N@H+](CCNC(=O)c1cccc(CN(C)C)c1)CC(C)C ZINC001481019599 1079069195 /nfs/dbraw/zinc/06/91/95/1079069195.db2.gz YLQJKSMEWICBCO-UHFFFAOYSA-N 1 3 305.466 2.456 20 0 DEADHO CC[N@@H+](CCNC(=O)c1cccc(CN(C)C)c1)CC(C)C ZINC001481019599 1079069199 /nfs/dbraw/zinc/06/91/99/1079069199.db2.gz YLQJKSMEWICBCO-UHFFFAOYSA-N 1 3 305.466 2.456 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CCCC[NH2+]C3)C2)cc1 ZINC001550101506 1073427022 /nfs/dbraw/zinc/42/70/22/1073427022.db2.gz SUWAJHYRVJMVMQ-MSOLQXFVSA-N 1 3 315.461 2.075 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)NC12CC(C[NH3+])(C1)C2 ZINC001550118847 1073434755 /nfs/dbraw/zinc/43/47/55/1073434755.db2.gz JDLOOMCVYOQKRF-UHFFFAOYSA-N 1 3 313.401 2.106 20 0 DEADHO CCn1ccnc1[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC001550129758 1073445351 /nfs/dbraw/zinc/44/53/51/1073445351.db2.gz WPXGSCDLQRSJTE-VVLHAWIVSA-N 1 3 318.465 2.007 20 0 DEADHO CCn1ccnc1[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC001550129758 1073445356 /nfs/dbraw/zinc/44/53/56/1073445356.db2.gz WPXGSCDLQRSJTE-VVLHAWIVSA-N 1 3 318.465 2.007 20 0 DEADHO N[C@@H](CC1CCCCC1)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001550233116 1073523755 /nfs/dbraw/zinc/52/37/55/1073523755.db2.gz JKKBYGXOOITQKJ-FUHWJXTLSA-N 1 3 307.482 2.276 20 0 DEADHO CCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001649434773 1079116820 /nfs/dbraw/zinc/11/68/20/1079116820.db2.gz JEHAHHQDTYAIBA-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CC[NH2+]CCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001649440204 1079119633 /nfs/dbraw/zinc/11/96/33/1079119633.db2.gz MFUYMENBWPJIBE-QGZVFWFLSA-N 1 3 315.477 2.293 20 0 DEADHO CCc1ccc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@@H]2O)o1 ZINC001550422291 1073646462 /nfs/dbraw/zinc/64/64/62/1073646462.db2.gz RKBHPYXCWXVVMV-OWSLCNJRSA-N 1 3 306.450 2.411 20 0 DEADHO CCc1ccc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@@H]2O)o1 ZINC001550422291 1073646468 /nfs/dbraw/zinc/64/64/68/1073646468.db2.gz RKBHPYXCWXVVMV-OWSLCNJRSA-N 1 3 306.450 2.411 20 0 DEADHO CCCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001649696023 1079158949 /nfs/dbraw/zinc/15/89/49/1079158949.db2.gz AICZXKFBKMAYMH-DLBZAZTESA-N 1 3 307.482 2.338 20 0 DEADHO CCn1ccnc1[C@@H]1OCC[C@@H]1[NH2+]C1CCN(CC2CC2)CC1 ZINC001550664408 1073782657 /nfs/dbraw/zinc/78/26/57/1073782657.db2.gz DAURPYGAOMWWDS-DLBZAZTESA-N 1 3 318.465 2.197 20 0 DEADHO Cc1cc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)cnc1F ZINC001550667966 1073786775 /nfs/dbraw/zinc/78/67/75/1073786775.db2.gz VGJIGKKAKHQVEO-CBZIJGRNSA-N 1 3 321.440 2.098 20 0 DEADHO Cc1cc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)cnc1F ZINC001550667966 1073786783 /nfs/dbraw/zinc/78/67/83/1073786783.db2.gz VGJIGKKAKHQVEO-CBZIJGRNSA-N 1 3 321.440 2.098 20 0 DEADHO Nc1c(F)cccc1CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC001550704830 1073815470 /nfs/dbraw/zinc/81/54/70/1073815470.db2.gz IRZUJQAAOAKZEZ-ZBFHGGJFSA-N 1 3 307.413 2.126 20 0 DEADHO Nc1c(F)cccc1CN1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC001550705664 1073817785 /nfs/dbraw/zinc/81/77/85/1073817785.db2.gz ZKNMQICOEZILOI-FVQBIDKESA-N 1 3 307.413 2.269 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC001550800721 1073880682 /nfs/dbraw/zinc/88/06/82/1073880682.db2.gz BNQUMNVVJAMDDD-DOTOQJQBSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC001550800721 1073880693 /nfs/dbraw/zinc/88/06/93/1073880693.db2.gz BNQUMNVVJAMDDD-DOTOQJQBSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC001550800723 1073881680 /nfs/dbraw/zinc/88/16/80/1073881680.db2.gz BNQUMNVVJAMDDD-NVXWUHKLSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC001550800723 1073881686 /nfs/dbraw/zinc/88/16/86/1073881686.db2.gz BNQUMNVVJAMDDD-NVXWUHKLSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)C[C@@H](C[NH2+]CC1CCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001496290547 1079203248 /nfs/dbraw/zinc/20/32/48/1079203248.db2.gz XPTPIULZNAIKEL-WBVHZDCISA-N 1 3 309.498 2.249 20 0 DEADHO COc1ccc(C[NH2+]C2CCC(C)(N3CCOCC3)CC2)cn1 ZINC001551238564 1074128543 /nfs/dbraw/zinc/12/85/43/1074128543.db2.gz ZNAGNTWFNCNMDH-UHFFFAOYSA-N 1 3 319.449 2.213 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@H]2CN(Cc3cc4c(cn3)OCCO4)C[C@@H]2C1 ZINC001551263253 1074140422 /nfs/dbraw/zinc/14/04/22/1074140422.db2.gz UTZIXOSXBIRQAA-OFQRWUPVSA-N 1 3 317.433 2.015 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCN3C3CCCC3)C[C@H]2C1 ZINC001551322119 1074167570 /nfs/dbraw/zinc/16/75/70/1074167570.db2.gz MEMZPDGBGCWJEB-AHCXZYCDSA-N 1 3 319.493 2.192 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001551328228 1074172858 /nfs/dbraw/zinc/17/28/58/1074172858.db2.gz MBRSYYDNXBKVDW-LUKYLMHMSA-N 1 3 307.482 2.050 20 0 DEADHO CCC[C@@H](C(=O)N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3)N(C)C ZINC001551869285 1074401861 /nfs/dbraw/zinc/40/18/61/1074401861.db2.gz BGAYTMYXUFCQFY-RYQLBKOJSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[C@@H](C(=O)N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3)N(C)C ZINC001551869285 1074401866 /nfs/dbraw/zinc/40/18/66/1074401866.db2.gz BGAYTMYXUFCQFY-RYQLBKOJSA-N 1 3 307.482 2.051 20 0 DEADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@H]1CCCC[NH2+]C1 ZINC001552413780 1074572163 /nfs/dbraw/zinc/57/21/63/1074572163.db2.gz BEELIZXFDUABJA-ZWKOTPCHSA-N 1 3 315.461 2.329 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)C2=CCC[NH2+]CC2)N(C)C)cc1 ZINC001646738984 1074588964 /nfs/dbraw/zinc/58/89/64/1074588964.db2.gz ZORBLVHZXVIXKL-GOSISDBHSA-N 1 3 315.461 2.278 20 0 DEADHO CC(C)=CC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001671230453 1074679854 /nfs/dbraw/zinc/67/98/54/1074679854.db2.gz FMGHNXKZSNZEEK-CVEARBPZSA-N 1 3 307.482 2.406 20 0 DEADHO O=C(N[C@@H]1CC[NH2+]C2(CCCCC2)C1)c1cccc2c1CNC2 ZINC001552926304 1074696893 /nfs/dbraw/zinc/69/68/93/1074696893.db2.gz WCOHREAUGDRRLY-OAHLLOKOSA-N 1 3 313.445 2.475 20 0 DEADHO CCCN1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001647106587 1074797253 /nfs/dbraw/zinc/79/72/53/1074797253.db2.gz REWBWHHPCBEVQX-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001647106587 1074797259 /nfs/dbraw/zinc/79/72/59/1074797259.db2.gz REWBWHHPCBEVQX-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CCN1CCC[C@@H](NC(=O)N2CCCC[C@H]2C2(C[NH3+])CCC2)C1 ZINC001553442349 1074874251 /nfs/dbraw/zinc/87/42/51/1074874251.db2.gz YURSZWMCVVAXSJ-CVEARBPZSA-N 1 3 322.497 2.164 20 0 DEADHO CSc1ccc(OC[C@H](O)CNC[C@H]2CCC[N@H+](C)C2)cc1 ZINC001647565025 1074947656 /nfs/dbraw/zinc/94/76/56/1074947656.db2.gz WQUOPHUDUSPOTM-HUUCEWRRSA-N 1 3 324.490 2.080 20 0 DEADHO CSc1ccc(OC[C@H](O)CNC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001647565025 1074947657 /nfs/dbraw/zinc/94/76/57/1074947657.db2.gz WQUOPHUDUSPOTM-HUUCEWRRSA-N 1 3 324.490 2.080 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNCCF ZINC001566942233 1075394705 /nfs/dbraw/zinc/39/47/05/1075394705.db2.gz HVXVADYHWCTVJQ-CVEARBPZSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNCCF ZINC001566942233 1075394711 /nfs/dbraw/zinc/39/47/11/1075394711.db2.gz HVXVADYHWCTVJQ-CVEARBPZSA-N 1 3 313.461 2.047 20 0 DEADHO [NH3+]CCN1CCC(N[C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC001580310378 1075899561 /nfs/dbraw/zinc/89/95/61/1075899561.db2.gz PAZDNXSTBPUMII-CYBMUJFWSA-N 1 3 313.367 2.104 20 0 DEADHO CCCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001484338126 1079548436 /nfs/dbraw/zinc/54/84/36/1079548436.db2.gz GFZKRBTZDQAHFB-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO [NH3+]CC[C@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC001650402687 1079591506 /nfs/dbraw/zinc/59/15/06/1079591506.db2.gz SFZPLUMBGAEQDG-HNNXBMFYSA-N 1 3 301.434 2.093 20 0 DEADHO CC(C)CC[C@H]([NH3+])C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC001650442575 1079627403 /nfs/dbraw/zinc/62/74/03/1079627403.db2.gz MPNNMFHZNKOOIR-HOTGVXAUSA-N 1 3 309.429 2.308 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCC1 ZINC001267952950 1079633482 /nfs/dbraw/zinc/63/34/82/1079633482.db2.gz AJUDXTHXPWWCOF-SJORKVTESA-N 1 3 307.482 2.242 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001484620318 1079690780 /nfs/dbraw/zinc/69/07/80/1079690780.db2.gz RMESYTKBMWFVPF-CYBMUJFWSA-N 1 3 323.403 2.251 20 0 DEADHO CC/C=C/CC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001484886942 1079836885 /nfs/dbraw/zinc/83/68/85/1079836885.db2.gz DCNUGDHCQZQIER-BUWFCSEKSA-N 1 3 307.482 2.264 20 0 DEADHO CN(CC(=O)N1CCC(C)([NH2+]C/C=C\Cl)CC1)C1CCC1 ZINC001484918637 1079860949 /nfs/dbraw/zinc/86/09/49/1079860949.db2.gz VVAQTZSBPHHGFJ-WTKPLQERSA-N 1 3 313.873 2.194 20 0 DEADHO CC(C)=CC[NH2+]C1(C)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001484918680 1079861144 /nfs/dbraw/zinc/86/11/44/1079861144.db2.gz XDDHHMVYGUOPJB-UHFFFAOYSA-N 1 3 307.482 2.408 20 0 DEADHO COc1ccc(C[NH+]2CCC(CNCc3cc[nH]n3)CC2)cc1 ZINC000066991233 1079870470 /nfs/dbraw/zinc/87/04/70/1079870470.db2.gz JOTMMJOWIJYUKS-UHFFFAOYSA-N 1 3 314.433 2.420 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001481461364 1079905006 /nfs/dbraw/zinc/90/50/06/1079905006.db2.gz BGVMARQMCHOHKO-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001481461364 1079905014 /nfs/dbraw/zinc/90/50/14/1079905014.db2.gz BGVMARQMCHOHKO-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001485041046 1079925692 /nfs/dbraw/zinc/92/56/92/1079925692.db2.gz RMESYTKBMWFVPF-ZDUSSCGKSA-N 1 3 323.403 2.251 20 0 DEADHO CCCN1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000069468223 1079962312 /nfs/dbraw/zinc/96/23/12/1079962312.db2.gz XDAWAVLOGDHOBP-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000069468223 1079962318 /nfs/dbraw/zinc/96/23/18/1079962318.db2.gz XDAWAVLOGDHOBP-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](CNCC=C(Cl)Cl)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268062798 1080001380 /nfs/dbraw/zinc/00/13/80/1080001380.db2.gz DWJFZSBNWLKYRH-QJPTWQEYSA-N 1 3 322.280 2.082 20 0 DEADHO C[C@@H](CNCC=C(Cl)Cl)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268062798 1080001388 /nfs/dbraw/zinc/00/13/88/1080001388.db2.gz DWJFZSBNWLKYRH-QJPTWQEYSA-N 1 3 322.280 2.082 20 0 DEADHO CC[C@@H](F)C[NH2+]CC[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001268167215 1080151571 /nfs/dbraw/zinc/15/15/71/1080151571.db2.gz QQUMWNUOGLNFEA-CVEARBPZSA-N 1 3 315.477 2.436 20 0 DEADHO Cc1ccccc1CN1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC000072905800 1080166144 /nfs/dbraw/zinc/16/61/44/1080166144.db2.gz QBNQJAXUSUVCMS-UHFFFAOYSA-N 1 3 317.477 2.371 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)C1C[NH+](CCCCCF)C1 ZINC001485510137 1080270757 /nfs/dbraw/zinc/27/07/57/1080270757.db2.gz QSSGPFSBXOLMKO-CQSZACIVSA-N 1 3 313.461 2.047 20 0 DEADHO CCCCCC[NH+]1CC([C@H](C)NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001485525367 1080281541 /nfs/dbraw/zinc/28/15/41/1080281541.db2.gz FQWJOLAEPLVYCB-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]CCC(C)(C)C)C2)CCC1 ZINC001485686499 1080367785 /nfs/dbraw/zinc/36/77/85/1080367785.db2.gz VXYNHDSJMUJLDB-SHTZXODSSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001485695132 1080379233 /nfs/dbraw/zinc/37/92/33/1080379233.db2.gz BWIVGPSOJQYJGC-WKILWMFISA-N 1 3 311.514 2.495 20 0 DEADHO C[C@H](CC[NH2+]Cc1ccc(F)cc1)NC(=O)CN(C)C1CCC1 ZINC001268371265 1080382304 /nfs/dbraw/zinc/38/23/04/1080382304.db2.gz AHENHZVHFCNQQH-CQSZACIVSA-N 1 3 321.440 2.294 20 0 DEADHO CN1C[C@@H]2CC[C@@H]([NH2+]CCCc3ccc4c(c3)CCO4)[C@@H]2C1 ZINC001660929601 1080416579 /nfs/dbraw/zinc/41/65/79/1080416579.db2.gz XCBLUSVRNIUJIK-RCCFBDPRSA-N 1 3 300.446 2.484 20 0 DEADHO CC/C=C\CC[N@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001485761673 1080418207 /nfs/dbraw/zinc/41/82/07/1080418207.db2.gz XYZVPMDHTIAAJF-KEGWNNHHSA-N 1 3 307.482 2.360 20 0 DEADHO CC/C=C\CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001485761673 1080418212 /nfs/dbraw/zinc/41/82/12/1080418212.db2.gz XYZVPMDHTIAAJF-KEGWNNHHSA-N 1 3 307.482 2.360 20 0 DEADHO CCN(CC[NH2+]C/C=C\c1ccccc1)C(=O)[C@@H]1CCCN1C ZINC001268438498 1080467145 /nfs/dbraw/zinc/46/71/45/1080467145.db2.gz JCBPRTFJHADRAN-VTSXBNNFSA-N 1 3 315.461 2.232 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1)N(C)C ZINC001661499679 1080488013 /nfs/dbraw/zinc/48/80/13/1080488013.db2.gz ZHLRWYADCUXTFE-BRWVUGGUSA-N 1 3 307.482 2.310 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)NCc1ccns1 ZINC001481817598 1080523592 /nfs/dbraw/zinc/52/35/92/1080523592.db2.gz YBUUUMITEDLYMG-HIFRSBDPSA-N 1 3 324.494 2.002 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)NCc1ccns1 ZINC001481817598 1080523598 /nfs/dbraw/zinc/52/35/98/1080523598.db2.gz YBUUUMITEDLYMG-HIFRSBDPSA-N 1 3 324.494 2.002 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CCC(C)(C)C)[C@H](C)C1 ZINC001107040120 1080555727 /nfs/dbraw/zinc/55/57/27/1080555727.db2.gz DKBVNDULMPYPMN-HZPDHXFCSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@](C)(C[NH2+]CC1CC1)C1CC1 ZINC001481932192 1080621054 /nfs/dbraw/zinc/62/10/54/1080621054.db2.gz VFZTXYZLKOSDDB-SJLPKXTDSA-N 1 3 307.482 2.144 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CCc2ccccc2)C1)N(C)C ZINC001662650622 1080627715 /nfs/dbraw/zinc/62/77/15/1080627715.db2.gz SPISAYCGKLGTSM-ZWKOTPCHSA-N 1 3 317.477 2.007 20 0 DEADHO C[C@@H]([NH2+]C/C=C\CNC(=O)[C@H]1CCCN1C)c1cccc(F)c1 ZINC001268575972 1080791485 /nfs/dbraw/zinc/79/14/85/1080791485.db2.gz RVTFFKXJTMBXJO-SWTGODCJSA-N 1 3 319.424 2.243 20 0 DEADHO Cc1ccc(C[NH2+]CCN(C)C(=O)[C@H](C(C)C)N(C)C)cc1F ZINC001663996034 1080846927 /nfs/dbraw/zinc/84/69/27/1080846927.db2.gz PNEKLHFLSHEWLM-KRWDZBQOSA-N 1 3 323.456 2.268 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001482141968 1080858206 /nfs/dbraw/zinc/85/82/06/1080858206.db2.gz HEFIQBZFBXPLMX-CVEARBPZSA-N 1 3 317.477 2.179 20 0 DEADHO CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001268619293 1080896431 /nfs/dbraw/zinc/89/64/31/1080896431.db2.gz SRPYSCHXVUTUSL-JTGQJZMRSA-N 1 3 321.440 2.236 20 0 DEADHO CCCCC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001665676895 1081060845 /nfs/dbraw/zinc/06/08/45/1081060845.db2.gz PCRKLWLKTJMTBT-AWEZNQCLSA-N 1 3 306.454 2.410 20 0 DEADHO CCCCC[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001665676895 1081060854 /nfs/dbraw/zinc/06/08/54/1081060854.db2.gz PCRKLWLKTJMTBT-AWEZNQCLSA-N 1 3 306.454 2.410 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](CC[NH2+]CC2CC2)C1 ZINC001666172860 1081130789 /nfs/dbraw/zinc/13/07/89/1081130789.db2.gz MVQSFKQCTJBINI-QZTJIDSGSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@H](F)C[NH2+]CC[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001668061778 1081311429 /nfs/dbraw/zinc/31/14/29/1081311429.db2.gz XNBMREXCCTUUSE-CABCVRRESA-N 1 3 315.477 2.483 20 0 DEADHO CC[C@@H](F)CNCCN(CC)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001668575735 1081369938 /nfs/dbraw/zinc/36/99/38/1081369938.db2.gz VPNKUUPWWWUPFT-HZPDHXFCSA-N 1 3 315.477 2.437 20 0 DEADHO Cc1cc(Cl)ccc1CNC/C=C\CNC(=O)CC[NH+](C)C ZINC001669020754 1081419697 /nfs/dbraw/zinc/41/96/97/1081419697.db2.gz IXUPIZWRQJDBFU-PLNGDYQASA-N 1 3 323.868 2.362 20 0 DEADHO CCC[NH2+]Cc1ccc(CNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001270082032 1081445841 /nfs/dbraw/zinc/44/58/41/1081445841.db2.gz NDCYCFRCUVRPOC-QGZVFWFLSA-N 1 3 305.466 2.389 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCC(C)C ZINC001270193835 1081471085 /nfs/dbraw/zinc/47/10/85/1081471085.db2.gz NFPYTHTYPNBJQT-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCCCC[NH2+]C[C@@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001671346776 1081513865 /nfs/dbraw/zinc/51/38/65/1081513865.db2.gz LCEYKHYKWQBGMK-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)CC[N@H+]1CC=C(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001284976660 1081531736 /nfs/dbraw/zinc/53/17/36/1081531736.db2.gz LVURSEKDSGYMCP-KRWDZBQOSA-N 1 3 309.498 2.367 20 0 DEADHO CC(C)CC[N@@H+]1CC=C(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001284976660 1081531741 /nfs/dbraw/zinc/53/17/41/1081531741.db2.gz LVURSEKDSGYMCP-KRWDZBQOSA-N 1 3 309.498 2.367 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC001482292115 1081536472 /nfs/dbraw/zinc/53/64/72/1081536472.db2.gz LEIQGYRYPDKDGJ-INIZCTEOSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C[NH2+]C(C)C)C1CCCCC1 ZINC001482413553 1081801023 /nfs/dbraw/zinc/80/10/23/1081801023.db2.gz OHVUJDSNJUCMMF-MRXNPFEDSA-N 1 3 306.454 2.324 20 0 DEADHO CCC(=O)N1CCC([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000089158209 1081910767 /nfs/dbraw/zinc/91/07/67/1081910767.db2.gz FFXJSJQEBZWXEX-UHFFFAOYSA-N 1 3 307.482 2.384 20 0 DEADHO CC(C)C[C@@H]([NH3+])CC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC001648962378 1081949728 /nfs/dbraw/zinc/94/97/28/1081949728.db2.gz RACWNTBXYZDBOJ-SJORKVTESA-N 1 3 303.450 2.141 20 0 DEADHO CCCC[C@H](CC)CN1CCC12CN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001271222726 1081994206 /nfs/dbraw/zinc/99/42/06/1081994206.db2.gz FCTPRYHNBRBITJ-IRXDYDNUSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[C@H](CC)CN1CCC12CN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001271222726 1081994210 /nfs/dbraw/zinc/99/42/10/1081994210.db2.gz FCTPRYHNBRBITJ-IRXDYDNUSA-N 1 3 321.509 2.441 20 0 DEADHO CN1CC2(C1)CCN(C(=O)CC[N@H+](C)Cc1ccccc1)CC2 ZINC001271295742 1082007176 /nfs/dbraw/zinc/00/71/76/1082007176.db2.gz XGLHVMVJWBCZPO-UHFFFAOYSA-N 1 3 315.461 2.063 20 0 DEADHO CN1CC2(C1)CCN(C(=O)CC[N@@H+](C)Cc1ccccc1)CC2 ZINC001271295742 1082007184 /nfs/dbraw/zinc/00/71/84/1082007184.db2.gz XGLHVMVJWBCZPO-UHFFFAOYSA-N 1 3 315.461 2.063 20 0 DEADHO CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001271673757 1082106431 /nfs/dbraw/zinc/10/64/31/1082106431.db2.gz MDALBBYJLBETKI-LSDHHAIUSA-N 1 3 306.454 2.073 20 0 DEADHO CC(C)[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC1CC(C)C1 ZINC001482534287 1082171005 /nfs/dbraw/zinc/17/10/05/1082171005.db2.gz RIEKVDWYKOIAAU-UYSNPLJNSA-N 1 3 309.498 2.247 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](N)C2CCCCCC2)C1 ZINC001648976702 1082331888 /nfs/dbraw/zinc/33/18/88/1082331888.db2.gz ZEJBPESNMAJKCA-RDJZCZTQSA-N 1 3 309.498 2.474 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](N)C2CCCCCC2)C1 ZINC001648976702 1082331895 /nfs/dbraw/zinc/33/18/95/1082331895.db2.gz ZEJBPESNMAJKCA-RDJZCZTQSA-N 1 3 309.498 2.474 20 0 DEADHO CC(C)=CC[NH2+]C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001266790336 1082345614 /nfs/dbraw/zinc/34/56/14/1082345614.db2.gz GJFCIUKYZMLBDK-MRXNPFEDSA-N 1 3 307.482 2.265 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1C ZINC001409437396 1082889150 /nfs/dbraw/zinc/88/91/50/1082889150.db2.gz QXWCSAFDTCDSGB-CVEARBPZSA-N 1 3 305.466 2.320 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C1CCC([NH2+]C/C=C\Cl)CC1 ZINC001409457453 1082900983 /nfs/dbraw/zinc/90/09/83/1082900983.db2.gz UKWLFTSKHBWSNV-YHYXMXQVSA-N 1 3 315.889 2.438 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)C(C)C)cc1 ZINC001409477478 1082911020 /nfs/dbraw/zinc/91/10/20/1082911020.db2.gz SYHQLQZDANDWFS-CVEARBPZSA-N 1 3 305.466 2.318 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CCCF ZINC001409631224 1082992326 /nfs/dbraw/zinc/99/23/26/1082992326.db2.gz LKKKRGIJNFQTSZ-CABCVRRESA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CCCF ZINC001409631224 1082992327 /nfs/dbraw/zinc/99/23/27/1082992327.db2.gz LKKKRGIJNFQTSZ-CABCVRRESA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@H+](C)CCc1ccccc1F ZINC001409682202 1083019103 /nfs/dbraw/zinc/01/91/03/1083019103.db2.gz GMOREUIJRJZANN-OAHLLOKOSA-N 1 3 323.456 2.145 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@@H+](C)CCc1ccccc1F ZINC001409682202 1083019106 /nfs/dbraw/zinc/01/91/06/1083019106.db2.gz GMOREUIJRJZANN-OAHLLOKOSA-N 1 3 323.456 2.145 20 0 DEADHO CCC[N@@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436525 1083394292 /nfs/dbraw/zinc/39/42/92/1083394292.db2.gz BKOXTENSHDSIHS-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO CCC[N@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436525 1083394305 /nfs/dbraw/zinc/39/43/05/1083394305.db2.gz BKOXTENSHDSIHS-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC1)CC2)N(C)C ZINC001107444505 1083400725 /nfs/dbraw/zinc/40/07/25/1083400725.db2.gz LTHIVGUHTZVEKK-ZIFCJYIRSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC1)CC2)N(C)C ZINC001107444505 1083400730 /nfs/dbraw/zinc/40/07/30/1083400730.db2.gz LTHIVGUHTZVEKK-ZIFCJYIRSA-N 1 3 321.509 2.343 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2CC[NH+]2CCC(C)CC2)C1 ZINC001413411010 1083567292 /nfs/dbraw/zinc/56/72/92/1083567292.db2.gz FWPIUPASINEEPY-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO [NH3+]C[C@]1(O)CCCN(CCc2ccccc2C(F)(F)F)CC1 ZINC001205208219 1083757919 /nfs/dbraw/zinc/75/79/19/1083757919.db2.gz CAXIBULHPDRQKP-HNNXBMFYSA-N 1 3 316.367 2.424 20 0 DEADHO CCN(CC)CC[C@@H](C)[NH2+]C1CCN(C(=O)C(F)(F)F)CC1 ZINC001255954603 1083977673 /nfs/dbraw/zinc/97/76/73/1083977673.db2.gz FTNMCLBWTOYGDJ-GFCCVEGCSA-N 1 3 323.403 2.250 20 0 DEADHO [NH3+]C[C@]1(O)CCCN(Cc2ccc(OC(F)F)cc2F)CC1 ZINC001205247450 1084132313 /nfs/dbraw/zinc/13/23/13/1084132313.db2.gz HYUOKMAZKBGJJT-HNNXBMFYSA-N 1 3 318.339 2.103 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)NCc2ccsc2)C1 ZINC001491561024 1084147659 /nfs/dbraw/zinc/14/76/59/1084147659.db2.gz WUIHRONIDDUPEL-HOCLYGCPSA-N 1 3 323.506 2.464 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](C)NCc2ccsc2)C1 ZINC001491561024 1084147664 /nfs/dbraw/zinc/14/76/64/1084147664.db2.gz WUIHRONIDDUPEL-HOCLYGCPSA-N 1 3 323.506 2.464 20 0 DEADHO CN(CC(=O)N1CCCC[C@H]1C[NH2+]CCC1CC1)C1CCC1 ZINC001491251611 1084183416 /nfs/dbraw/zinc/18/34/16/1084183416.db2.gz WKZVNVSQDXFGBB-KRWDZBQOSA-N 1 3 307.482 2.242 20 0 DEADHO CN1CC2(C1)CC[NH+](Cc1cccc(N3CCOCC3)c1)CC2 ZINC001235082791 1084303032 /nfs/dbraw/zinc/30/30/32/1084303032.db2.gz KOIOXOAPUVZIFH-UHFFFAOYSA-N 1 3 315.461 2.051 20 0 DEADHO CC[N@H+](CCN1CCCCC1)C[C@H]1[C@H](C)CNCC1(F)F ZINC001235960200 1084571611 /nfs/dbraw/zinc/57/16/11/1084571611.db2.gz HJBAJFNBEWZTJH-CABCVRRESA-N 1 3 303.441 2.285 20 0 DEADHO CC[N@@H+](CCN1CCCCC1)C[C@H]1[C@H](C)CNCC1(F)F ZINC001235960200 1084571619 /nfs/dbraw/zinc/57/16/19/1084571619.db2.gz HJBAJFNBEWZTJH-CABCVRRESA-N 1 3 303.441 2.285 20 0 DEADHO CCN(CC[NH+]1CCCCC1)C[C@H]1[C@H](C)CNCC1(F)F ZINC001235960200 1084571628 /nfs/dbraw/zinc/57/16/28/1084571628.db2.gz HJBAJFNBEWZTJH-CABCVRRESA-N 1 3 303.441 2.285 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)C1CC[NH+](CCC2CC2)CC1 ZINC001486446313 1085317107 /nfs/dbraw/zinc/31/71/07/1085317107.db2.gz GWDKQVCCWSBWMD-HNNXBMFYSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]2C[N@H+](C)CC2CCCC2)C1 ZINC000960864574 1085488359 /nfs/dbraw/zinc/48/83/59/1085488359.db2.gz OLCFVRLVTHEKEL-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]2C[N@@H+](C)CC2CCCC2)C1 ZINC000960864574 1085488364 /nfs/dbraw/zinc/48/83/64/1085488364.db2.gz OLCFVRLVTHEKEL-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC1 ZINC000961031749 1085545712 /nfs/dbraw/zinc/54/57/12/1085545712.db2.gz ONZGJXJZHIAIPM-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC1 ZINC000961031749 1085545716 /nfs/dbraw/zinc/54/57/16/1085545716.db2.gz ONZGJXJZHIAIPM-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961189190 1085629488 /nfs/dbraw/zinc/62/94/88/1085629488.db2.gz YJKGOFLJIFMTPS-CVEARBPZSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961189190 1085629497 /nfs/dbraw/zinc/62/94/97/1085629497.db2.gz YJKGOFLJIFMTPS-CVEARBPZSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H](CC[NH2+]CCC1CCCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001273017609 1085971575 /nfs/dbraw/zinc/97/15/75/1085971575.db2.gz BXGUGLTZPMKLNU-JKSUJKDBSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)C2CCC([NH2+]CC3CCC3)CC2)C1 ZINC000963902612 1086592201 /nfs/dbraw/zinc/59/22/01/1086592201.db2.gz OIVPMKZQOHUFFI-FAEJEUNOSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)CCN1CC[C@]2(CCC[N@@H+]2CCC2CCCC2)C1=O ZINC001273167935 1087146009 /nfs/dbraw/zinc/14/60/09/1087146009.db2.gz UFUCFHFSJORGRA-GOSISDBHSA-N 1 3 307.482 2.195 20 0 DEADHO CN(C)CCN1CC[C@]2(CCC[N@H+]2CCC2CCCC2)C1=O ZINC001273167935 1087146013 /nfs/dbraw/zinc/14/60/13/1087146013.db2.gz UFUCFHFSJORGRA-GOSISDBHSA-N 1 3 307.482 2.195 20 0 DEADHO CC[NH2+]C[C@@H]1c2ccccc2CCN1C(=O)CN(C)C1CCC1 ZINC000958791786 1089187195 /nfs/dbraw/zinc/18/71/95/1089187195.db2.gz VYWBOMXLDQLSFS-GOSISDBHSA-N 1 3 315.461 2.206 20 0 DEADHO CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1c1ccccc1 ZINC001081179845 1089369673 /nfs/dbraw/zinc/36/96/73/1089369673.db2.gz NLUZLIOFBQYIFE-BPQIPLTHSA-N 1 3 315.461 2.075 20 0 DEADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC1=CCCCC1 ZINC001082559968 1090009439 /nfs/dbraw/zinc/00/94/39/1090009439.db2.gz VDXHJPXQSBPECT-OLMNPRSZSA-N 1 3 319.493 2.264 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCC2)C1)N(C)C ZINC001082589588 1090012204 /nfs/dbraw/zinc/01/22/04/1090012204.db2.gz HUANUMJNRANWBA-DJIMGWMZSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CC1=CCCCC1 ZINC001082742970 1090066014 /nfs/dbraw/zinc/06/60/14/1090066014.db2.gz YWAJKYOVZWULFX-LZLYRXPVSA-N 1 3 319.493 2.265 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccsc3)C2)C1 ZINC001082742503 1090066723 /nfs/dbraw/zinc/06/67/23/1090066723.db2.gz HWTAWJDBOUCMNB-IIAWOOMASA-N 1 3 321.490 2.026 20 0 DEADHO CCCN1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084853370 1090477344 /nfs/dbraw/zinc/47/73/44/1090477344.db2.gz LDOWOTHOYQOXGE-KURKYZTESA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC3CC3)[C@H]2C1 ZINC001084939040 1090530620 /nfs/dbraw/zinc/53/06/20/1090530620.db2.gz PQBVAEKNZNZWAS-SQNIBIBYSA-N 1 3 319.493 2.192 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC3CC3)[C@H]2C1 ZINC001084939040 1090530627 /nfs/dbraw/zinc/53/06/27/1090530627.db2.gz PQBVAEKNZNZWAS-SQNIBIBYSA-N 1 3 319.493 2.192 20 0 DEADHO CC(C)=CC[NH2+]C1(C)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001274374959 1091212209 /nfs/dbraw/zinc/21/22/09/1091212209.db2.gz GCBRXGNZZYBQFU-MRXNPFEDSA-N 1 3 307.482 2.265 20 0 DEADHO CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001274512257 1091277485 /nfs/dbraw/zinc/27/74/85/1091277485.db2.gz VNNQGVBMUXJQJD-TUYSUELWSA-N 1 3 303.450 2.097 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CCCC1 ZINC001412350613 1091339464 /nfs/dbraw/zinc/33/94/64/1091339464.db2.gz BWGDCJRTAQGBPE-HNNXBMFYSA-N 1 3 307.482 2.384 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CCCC1 ZINC001412350613 1091339476 /nfs/dbraw/zinc/33/94/76/1091339476.db2.gz BWGDCJRTAQGBPE-HNNXBMFYSA-N 1 3 307.482 2.384 20 0 DEADHO CN(C[C@H]1CCN1CCCF)C(=O)CCC[NH+]1CCCCC1 ZINC001440257819 1091476778 /nfs/dbraw/zinc/47/67/78/1091476778.db2.gz VMKYRRCVCTUOJV-MRXNPFEDSA-N 1 3 313.461 2.145 20 0 DEADHO Cc1ccc(C[NH2+]CCCN(C)C(=O)CN(C)C2CCC2)cc1 ZINC001276047894 1091484566 /nfs/dbraw/zinc/48/45/66/1091484566.db2.gz HFLBPAMVLQYWKX-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]C/C=C/Cl)C1 ZINC001275030841 1091520058 /nfs/dbraw/zinc/52/00/58/1091520058.db2.gz ADTRUGRHCSDVQG-OYROCLPXSA-N 1 3 313.873 2.051 20 0 DEADHO CCC[C@@H](C)C[NH+]1CCC2(CCN(CC(=O)N(C)C)C2)CC1 ZINC001275074027 1091542287 /nfs/dbraw/zinc/54/22/87/1091542287.db2.gz ODXNBVUFWHVCAR-MRXNPFEDSA-N 1 3 309.498 2.299 20 0 DEADHO Cc1cc(F)ccc1CN1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001276120258 1091560173 /nfs/dbraw/zinc/56/01/73/1091560173.db2.gz LEXPHFDYWHOWJB-UHFFFAOYSA-N 1 3 305.441 2.203 20 0 DEADHO C[NH+](C)CCN1CC2(C1)CCCN(Cc1cccc(F)c1)C2 ZINC001275298604 1091658328 /nfs/dbraw/zinc/65/83/28/1091658328.db2.gz TUIXNDDVFHMTME-UHFFFAOYSA-N 1 3 305.441 2.285 20 0 DEADHO Cc1cc(O)cc(C)c1CN1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001275371867 1091696856 /nfs/dbraw/zinc/69/68/56/1091696856.db2.gz VHYYDZGXPQHXSH-CALCHBBNSA-N 1 3 317.477 2.219 20 0 DEADHO Cc1cccc([C@H](C)[NH2+]CCCN(C)C(=O)Cc2c[nH]cn2)c1 ZINC001276245849 1091734638 /nfs/dbraw/zinc/73/46/38/1091734638.db2.gz XLSSGFVODOQOAV-HNNXBMFYSA-N 1 3 314.433 2.460 20 0 DEADHO CCc1ccccc1CN1CC2(C1)CC[N@H+](CCN(C)C)C2 ZINC001275438866 1091747075 /nfs/dbraw/zinc/74/70/75/1091747075.db2.gz ASJSXWZLNFZOMW-UHFFFAOYSA-N 1 3 301.478 2.318 20 0 DEADHO CCc1ccccc1CN1CC2(C1)CC[N@@H+](CCN(C)C)C2 ZINC001275438866 1091747083 /nfs/dbraw/zinc/74/70/83/1091747083.db2.gz ASJSXWZLNFZOMW-UHFFFAOYSA-N 1 3 301.478 2.318 20 0 DEADHO CN(C)CCN1CC[C@@]2(CC[N@H+](CC3CCCCC3)C2)C1=O ZINC001273509232 1091891723 /nfs/dbraw/zinc/89/17/23/1091891723.db2.gz MLLSMJZKHARTEY-GOSISDBHSA-N 1 3 307.482 2.053 20 0 DEADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](CC3CCCCC3)C2)C1=O ZINC001273509232 1091891729 /nfs/dbraw/zinc/89/17/29/1091891729.db2.gz MLLSMJZKHARTEY-GOSISDBHSA-N 1 3 307.482 2.053 20 0 DEADHO CN(C)CCN1CC[C@]2(CCC[N@H+](CC(C)(C)C)CC2)C1=O ZINC001273533169 1091906889 /nfs/dbraw/zinc/90/68/89/1091906889.db2.gz USSRAWIEKVSUHI-GOSISDBHSA-N 1 3 309.498 2.299 20 0 DEADHO CN(C)CCN1CC[C@]2(CCC[N@@H+](CC(C)(C)C)CC2)C1=O ZINC001273533169 1091906896 /nfs/dbraw/zinc/90/68/96/1091906896.db2.gz USSRAWIEKVSUHI-GOSISDBHSA-N 1 3 309.498 2.299 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N(C)[C@@H]1CCC[N@H+](CC2CC2)CC1 ZINC000948775556 1091929166 /nfs/dbraw/zinc/92/91/66/1091929166.db2.gz LHTQDKHQUPLLMI-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N(C)[C@@H]1CCC[N@@H+](CC2CC2)CC1 ZINC000948775556 1091929173 /nfs/dbraw/zinc/92/91/73/1091929173.db2.gz LHTQDKHQUPLLMI-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C(=O)Cc1c[nH]cn1)[C@@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000948813201 1091951296 /nfs/dbraw/zinc/95/12/96/1091951296.db2.gz WIWQEQBKVSKUPK-MRXNPFEDSA-N 1 3 304.438 2.065 20 0 DEADHO CN(C(=O)Cc1c[nH]cn1)[C@@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000948813201 1091951304 /nfs/dbraw/zinc/95/13/04/1091951304.db2.gz WIWQEQBKVSKUPK-MRXNPFEDSA-N 1 3 304.438 2.065 20 0 DEADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CCCN1C1CCCC1 ZINC001411640212 1091952927 /nfs/dbraw/zinc/95/29/27/1091952927.db2.gz BMNZOUMPVMTQNM-IXDOHACOSA-N 1 3 305.466 2.136 20 0 DEADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CCCN1C1CCCC1 ZINC001411640212 1091952932 /nfs/dbraw/zinc/95/29/32/1091952932.db2.gz BMNZOUMPVMTQNM-IXDOHACOSA-N 1 3 305.466 2.136 20 0 DEADHO CN(C)CC[N@@H+]1CCC[C@@]2(CCCN(Cc3ccccn3)C2)C1 ZINC001275873774 1092255624 /nfs/dbraw/zinc/25/56/24/1092255624.db2.gz PKDPHULQWYBPKT-LJQANCHMSA-N 1 3 316.493 2.321 20 0 DEADHO CN(C)CC[N@H+]1CCC[C@@]2(CCCN(Cc3ccccn3)C2)C1 ZINC001275873774 1092255636 /nfs/dbraw/zinc/25/56/36/1092255636.db2.gz PKDPHULQWYBPKT-LJQANCHMSA-N 1 3 316.493 2.321 20 0 DEADHO C[NH+](C)CCN1CC2(C1)CCN(Cc1cc(F)cc(F)c1)CC2 ZINC001275936648 1092348143 /nfs/dbraw/zinc/34/81/43/1092348143.db2.gz ASLKNZPMAZPMCK-UHFFFAOYSA-N 1 3 323.431 2.424 20 0 DEADHO C[NH+](C)CCN1CC[C@@]2(C1)CCCN(Cc1cccc(F)n1)C2 ZINC001275957474 1092376678 /nfs/dbraw/zinc/37/66/78/1092376678.db2.gz YMGUUONSCAJJCV-GOSISDBHSA-N 1 3 320.456 2.070 20 0 DEADHO CCN(CCF)CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001490348839 1093296087 /nfs/dbraw/zinc/29/60/87/1093296087.db2.gz IHJPELRBCXNNDE-OAHLLOKOSA-N 1 3 301.450 2.047 20 0 DEADHO CCN(CCF)CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001490348839 1093296093 /nfs/dbraw/zinc/29/60/93/1093296093.db2.gz IHJPELRBCXNNDE-OAHLLOKOSA-N 1 3 301.450 2.047 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]([NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001490742272 1093501083 /nfs/dbraw/zinc/50/10/83/1093501083.db2.gz NUISSROTNQBVAS-MRXNPFEDSA-N 1 3 309.498 2.247 20 0 DEADHO CN(CCF)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001490766042 1093518884 /nfs/dbraw/zinc/51/88/84/1093518884.db2.gz XGHAWUJPBFHKGB-HNNXBMFYSA-N 1 3 313.461 2.001 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC(C)C ZINC001421029377 1171439605 /nfs/dbraw/zinc/43/96/05/1171439605.db2.gz LFYJAGPNBGPCKO-CALCHBBNSA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC(C)C ZINC001421029377 1171439607 /nfs/dbraw/zinc/43/96/07/1171439607.db2.gz LFYJAGPNBGPCKO-CALCHBBNSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H](CN1CC2(C1)CC[N@H+](CCN(C)C)C2)CC(F)(F)F ZINC001278183339 1138819170 /nfs/dbraw/zinc/81/91/70/1138819170.db2.gz FPKJRQKZEVYOBN-ZDUSSCGKSA-N 1 3 307.404 2.144 20 0 DEADHO C[C@H](CN1CC2(C1)CC[N@@H+](CCN(C)C)C2)CC(F)(F)F ZINC001278183339 1138819171 /nfs/dbraw/zinc/81/91/71/1138819171.db2.gz FPKJRQKZEVYOBN-ZDUSSCGKSA-N 1 3 307.404 2.144 20 0 DEADHO CCc1ccc(C[NH2+][C@@H](C)CNC(=O)CN(C)C(C)C)cc1 ZINC001491682522 1140247539 /nfs/dbraw/zinc/24/75/39/1140247539.db2.gz MMZGUHYDIRUUOR-HNNXBMFYSA-N 1 3 305.466 2.184 20 0 DEADHO Cc1ccc(C)c(C[NH2+][C@H](C)CNC(=O)CN(C)C(C)C)c1 ZINC001491682297 1140247967 /nfs/dbraw/zinc/24/79/67/1140247967.db2.gz KGMVZCNJLZJPGX-MRXNPFEDSA-N 1 3 305.466 2.238 20 0 DEADHO [NH3+]C[C@@]1(F)CCCN(C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC001246019664 1140847054 /nfs/dbraw/zinc/84/70/54/1140847054.db2.gz JFSLYWIUSAKHKJ-HUUCEWRRSA-N 1 3 302.340 2.151 20 0 DEADHO [NH3+]C[C@@H]1CCCCN(C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC001246038813 1140852436 /nfs/dbraw/zinc/85/24/36/1140852436.db2.gz YZSLZCQVGMTISX-ZFWWWQNUSA-N 1 3 312.841 2.141 20 0 DEADHO Fc1cc(CN[C@@H]2CCNC3(C[NH2+]C3)C2)c(Cl)cc1Cl ZINC001246076911 1140857791 /nfs/dbraw/zinc/85/77/91/1140857791.db2.gz PTOVUVWOEMDNEH-SNVBAGLBSA-N 1 3 318.223 2.316 20 0 DEADHO COc1ccc(Br)c(CC[NH2+]C2CCNCC2)c1 ZINC001246110138 1140861941 /nfs/dbraw/zinc/86/19/41/1140861941.db2.gz RGILLIZZEPMQSM-UHFFFAOYSA-N 1 3 313.239 2.342 20 0 DEADHO COc1ccc(Br)c(CCNC2CC[NH2+]CC2)c1 ZINC001246110138 1140861943 /nfs/dbraw/zinc/86/19/43/1140861943.db2.gz RGILLIZZEPMQSM-UHFFFAOYSA-N 1 3 313.239 2.342 20 0 DEADHO C[C@@H]1CC[C@H](CNC2CCN(Cc3ccncc3)CC2)[NH2+]C1 ZINC001246117026 1140863263 /nfs/dbraw/zinc/86/32/63/1140863263.db2.gz YXESDCLGZZXWSG-CRAIPNDOSA-N 1 3 302.466 2.024 20 0 DEADHO Clc1cccc2c1CC[C@@H]([NH2+][C@@H]1[C@H]3CNC[C@@H]1COC3)C2 ZINC001246144969 1140866300 /nfs/dbraw/zinc/86/63/00/1140866300.db2.gz CKHYQWMRDPTPOK-OEUWWYETSA-N 1 3 306.837 2.021 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)CCNC/C(Cl)=C/Cl)[NH+](C)C ZINC001320545364 1140878002 /nfs/dbraw/zinc/87/80/02/1140878002.db2.gz WRFKTQCTSOZFGL-PPHUXIPZSA-N 1 3 324.296 2.376 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC2CCN(C(=O)c3ccccc3)CC2)CCN1 ZINC001246371000 1140889724 /nfs/dbraw/zinc/88/97/24/1140889724.db2.gz YZWCRYMVOPPUIH-CRAIPNDOSA-N 1 3 315.461 2.269 20 0 DEADHO COc1ccc2c(c1)OC[C@H](CNC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246476180 1140914198 /nfs/dbraw/zinc/91/41/98/1140914198.db2.gz XLSRTLBVTUPGBC-NTQSIJHJSA-N 1 3 302.418 2.119 20 0 DEADHO COc1cc2c(cc1OC)[C@@H](CNC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246527672 1140934567 /nfs/dbraw/zinc/93/45/67/1140934567.db2.gz UEJXYHAPBVIEHS-JKXDFHQYSA-N 1 3 302.418 2.216 20 0 DEADHO C[C@H]1C[N@@H+]([C@H]2CCCN(C(=O)c3ccccc3)CC2)C[C@H]1CN ZINC001246543032 1140947036 /nfs/dbraw/zinc/94/70/36/1140947036.db2.gz RJMNSEWZLJSZCV-JQHSSLGASA-N 1 3 315.461 2.208 20 0 DEADHO C[C@H]1C[N@H+]([C@H]2CCCN(C(=O)c3ccccc3)CC2)C[C@H]1CN ZINC001246543032 1140947045 /nfs/dbraw/zinc/94/70/45/1140947045.db2.gz RJMNSEWZLJSZCV-JQHSSLGASA-N 1 3 315.461 2.208 20 0 DEADHO NC[C@@H]1CCCC[N@@H+]([C@@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001246579670 1140985223 /nfs/dbraw/zinc/98/52/23/1140985223.db2.gz CUNOEBHRVKEQFV-ZWKOTPCHSA-N 1 3 315.461 2.238 20 0 DEADHO NC[C@@H]1CCCC[N@H+]([C@@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001246579670 1140985243 /nfs/dbraw/zinc/98/52/43/1140985243.db2.gz CUNOEBHRVKEQFV-ZWKOTPCHSA-N 1 3 315.461 2.238 20 0 DEADHO CCOC(=O)[C@@]12C[N@@H+]([C@H]3CCC(C)(C)C3)C[C@@H]1CNCCC2 ZINC001246596815 1140995730 /nfs/dbraw/zinc/99/57/30/1140995730.db2.gz QZQHDHIDWIHQRF-MPGHIAIKSA-N 1 3 308.466 2.430 20 0 DEADHO CCOC(=O)[C@@]12C[N@H+]([C@H]3CCC(C)(C)C3)C[C@@H]1CNCCC2 ZINC001246596815 1140995741 /nfs/dbraw/zinc/99/57/41/1140995741.db2.gz QZQHDHIDWIHQRF-MPGHIAIKSA-N 1 3 308.466 2.430 20 0 DEADHO CCOC(=O)[C@@]12C[N@@H+]([C@H]3CC[C@H](CC)C3)C[C@@H]1CNCCC2 ZINC001246609891 1141002899 /nfs/dbraw/zinc/00/28/99/1141002899.db2.gz PLXLNMNIECJJRB-OVWQWFNUSA-N 1 3 308.466 2.430 20 0 DEADHO CCOC(=O)[C@@]12C[N@H+]([C@H]3CC[C@H](CC)C3)C[C@@H]1CNCCC2 ZINC001246609891 1141002915 /nfs/dbraw/zinc/00/29/15/1141002915.db2.gz PLXLNMNIECJJRB-OVWQWFNUSA-N 1 3 308.466 2.430 20 0 DEADHO CCC[C@H](C)CC[C@H](C)[N@@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246624893 1141009533 /nfs/dbraw/zinc/00/95/33/1141009533.db2.gz GNLYPHSOFSUIGA-RLFYNMQTSA-N 1 3 307.482 2.003 20 0 DEADHO CCC[C@H](C)CC[C@H](C)[N@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246624893 1141009547 /nfs/dbraw/zinc/00/95/47/1141009547.db2.gz GNLYPHSOFSUIGA-RLFYNMQTSA-N 1 3 307.482 2.003 20 0 DEADHO Fc1ccc2c(c1)CC[C@H](N1CC[NH2+]C[C@]3(CCCCN3)C1)C2 ZINC001246637092 1141016585 /nfs/dbraw/zinc/01/65/85/1141016585.db2.gz XSSKYLFZYDRHQV-RBUKOAKNSA-N 1 3 317.452 2.101 20 0 DEADHO c1ccc(CC2CCC(N3CCN[C@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC001246647140 1141023426 /nfs/dbraw/zinc/02/34/26/1141023426.db2.gz ZBSHDOCPHRKHOC-MHJFOBGBSA-N 1 3 313.489 2.425 20 0 DEADHO Cc1cc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCCN2C)c(C)s1 ZINC001320997181 1141024311 /nfs/dbraw/zinc/02/43/11/1141024311.db2.gz HYUKLSFXIKBIMA-DWTRPJMMSA-N 1 3 321.490 2.221 20 0 DEADHO COC(=O)c1ccc(C[C@H](C)[N@@H+]2C[C@H]3CCC[C@@]3(N)C2)cc1 ZINC001246667748 1141029758 /nfs/dbraw/zinc/02/97/58/1141029758.db2.gz UZPYNTGVWXJRGY-FDQGKXFDSA-N 1 3 302.418 2.217 20 0 DEADHO COC(=O)c1ccc(C[C@H](C)[N@H+]2C[C@H]3CCC[C@@]3(N)C2)cc1 ZINC001246667748 1141029767 /nfs/dbraw/zinc/02/97/67/1141029767.db2.gz UZPYNTGVWXJRGY-FDQGKXFDSA-N 1 3 302.418 2.217 20 0 DEADHO CCOC(=O)[C@H]1C[N@@H+]([C@H]2CCN[C@@H](C)C2)C[C@H]2CCCC[C@@H]12 ZINC001246673941 1141032324 /nfs/dbraw/zinc/03/23/24/1141032324.db2.gz QYYYBEBIXQMNJU-NNXHMXCWSA-N 1 3 308.466 2.428 20 0 DEADHO CCOC(=O)[C@H]1C[N@H+]([C@H]2CCN[C@@H](C)C2)C[C@H]2CCCC[C@@H]12 ZINC001246673941 1141032335 /nfs/dbraw/zinc/03/23/35/1141032335.db2.gz QYYYBEBIXQMNJU-NNXHMXCWSA-N 1 3 308.466 2.428 20 0 DEADHO CCOC(=O)c1ccc(C[C@H](C)[N@@H+]2C[C@@H]3CC[C@@]3(N)C2)cc1 ZINC001246859908 1141091200 /nfs/dbraw/zinc/09/12/00/1141091200.db2.gz LTUGKKJGVPBEDP-QANKJYHBSA-N 1 3 302.418 2.217 20 0 DEADHO CCOC(=O)c1ccc(C[C@H](C)[N@H+]2C[C@@H]3CC[C@@]3(N)C2)cc1 ZINC001246859908 1141091206 /nfs/dbraw/zinc/09/12/06/1141091206.db2.gz LTUGKKJGVPBEDP-QANKJYHBSA-N 1 3 302.418 2.217 20 0 DEADHO c1cc(CN2CCC(N3CC[C@H]4[NH2+]CCC[C@@H]4C3)CC2)ccn1 ZINC001247013103 1141244365 /nfs/dbraw/zinc/24/43/65/1141244365.db2.gz FUIPEGUPIABIKD-IEBWSBKVSA-N 1 3 314.477 2.120 20 0 DEADHO CC(C)=CC[NH2+]C[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001321992638 1141378636 /nfs/dbraw/zinc/37/86/36/1141378636.db2.gz YZBJHKFTYVNTAY-WMLDXEAASA-N 1 3 313.461 2.259 20 0 DEADHO c1ccc2c(c1)cccc2-c1noc([C@H]2CNCC23C[NH2+]C3)n1 ZINC001247832749 1141545114 /nfs/dbraw/zinc/54/51/14/1141545114.db2.gz YQFZFUXFFXOILA-OAHLLOKOSA-N 1 3 306.369 2.166 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]C/C=C\Cl ZINC001322372867 1141547219 /nfs/dbraw/zinc/54/72/19/1141547219.db2.gz UXKJRRKXWRQEJM-ALCJFRFOSA-N 1 3 324.856 2.278 20 0 DEADHO CN1CCN(C2(c3ccc(CCC[NH+](C)C)cc3)CC2)CC1 ZINC001250165118 1142089494 /nfs/dbraw/zinc/08/94/94/1142089494.db2.gz RVVKATGTBYYHIE-UHFFFAOYSA-N 1 3 301.478 2.417 20 0 DEADHO OCCCOCCN[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001336753958 1142559233 /nfs/dbraw/zinc/55/92/33/1142559233.db2.gz CCFDRVJURKZXJA-PKOBYXMFSA-N 1 3 318.461 2.343 20 0 DEADHO OCCCOCCN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001336753958 1142559245 /nfs/dbraw/zinc/55/92/45/1142559245.db2.gz CCFDRVJURKZXJA-PKOBYXMFSA-N 1 3 318.461 2.343 20 0 DEADHO CC(C)=CC[NH2+][C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)CC1(C)C ZINC001278684448 1142823362 /nfs/dbraw/zinc/82/33/62/1142823362.db2.gz DALCSKCDECJAGX-JKSUJKDBSA-N 1 3 309.498 2.365 20 0 DEADHO CCN(CC)C[C@H](O)C[NH2+][C@@H](C)COc1cc(C)cc(C)c1 ZINC001253202334 1142853671 /nfs/dbraw/zinc/85/36/71/1142853671.db2.gz HGGWVCAWBLVEGP-DLBZAZTESA-N 1 3 308.466 2.363 20 0 DEADHO CC[NH+](CC)C[C@@H](O)CN[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001253208746 1142854034 /nfs/dbraw/zinc/85/40/34/1142854034.db2.gz STMZDGNWJJRXQS-FGTMMUONSA-N 1 3 306.450 2.199 20 0 DEADHO CC[NH+](CC)C[C@H](O)CNCC1(Cc2ccccn2)CCC1 ZINC001253213936 1142855200 /nfs/dbraw/zinc/85/52/00/1142855200.db2.gz WZIJYQPHSZCSLO-QGZVFWFLSA-N 1 3 305.466 2.087 20 0 DEADHO COc1ccc(CC(C)(C)NC[C@H](O)C[NH2+]C(C)(C)C)cc1 ZINC001253410560 1142870296 /nfs/dbraw/zinc/87/02/96/1142870296.db2.gz LHTUJQBXKVMDPL-OAHLLOKOSA-N 1 3 308.466 2.355 20 0 DEADHO Cc1ccc(OC[C@@H](O)CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001253843909 1142983583 /nfs/dbraw/zinc/98/35/83/1142983583.db2.gz USJARCJTHYJCCG-MHORFTMASA-N 1 3 318.461 2.340 20 0 DEADHO Cc1ccc(OC[C@@H](O)CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001253843909 1142983602 /nfs/dbraw/zinc/98/36/02/1142983602.db2.gz USJARCJTHYJCCG-MHORFTMASA-N 1 3 318.461 2.340 20 0 DEADHO CCOC(=O)[C@H](CN[C@H]1CCC[N@@H+](C)CC1)c1ccccc1 ZINC001254508436 1143151061 /nfs/dbraw/zinc/15/10/61/1143151061.db2.gz JAANIDAFJSZXSI-DLBZAZTESA-N 1 3 304.434 2.407 20 0 DEADHO CCOC(=O)[C@H](C[NH2+][C@H]1CCCN(C)CC1)c1ccccc1 ZINC001254508436 1143151035 /nfs/dbraw/zinc/15/10/35/1143151035.db2.gz JAANIDAFJSZXSI-DLBZAZTESA-N 1 3 304.434 2.407 20 0 DEADHO CCOC(=O)[C@H](CN[C@H]1CCC[N@H+](C)CC1)c1ccccc1 ZINC001254508436 1143151047 /nfs/dbraw/zinc/15/10/47/1143151047.db2.gz JAANIDAFJSZXSI-DLBZAZTESA-N 1 3 304.434 2.407 20 0 DEADHO COC(=O)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255128949 1143432331 /nfs/dbraw/zinc/43/23/31/1143432331.db2.gz RSVZDCCRDBDZEY-OSYLJGHBSA-N 1 3 302.418 2.335 20 0 DEADHO COC(=O)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255128949 1143432340 /nfs/dbraw/zinc/43/23/40/1143432340.db2.gz RSVZDCCRDBDZEY-OSYLJGHBSA-N 1 3 302.418 2.335 20 0 DEADHO Cc1cc([C@H]([NH3+])CC(=O)N2[C@H](C)CN[C@H](C)[C@H]2C)cc(Cl)n1 ZINC001341031735 1143525615 /nfs/dbraw/zinc/52/56/15/1143525615.db2.gz XBHGGXPSFFSXDI-HKUMRIAESA-N 1 3 324.856 2.031 20 0 DEADHO Cc1cc([C@H]([NH3+])CC(=O)N2[C@H](C)CN[C@@H](C)[C@H]2C)cc(Cl)n1 ZINC001341031734 1143526754 /nfs/dbraw/zinc/52/67/54/1143526754.db2.gz XBHGGXPSFFSXDI-GFQSEFKGSA-N 1 3 324.856 2.031 20 0 DEADHO CN1CC[C@H](c2nnc([C@@H]3CC[N@H+](Cc4ccccc4)C3)o2)C1 ZINC001255422870 1143613951 /nfs/dbraw/zinc/61/39/51/1143613951.db2.gz YMUODNNORBDXOJ-JKSUJKDBSA-N 1 3 312.417 2.478 20 0 DEADHO CN1CC[C@H](c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)C1 ZINC001255422870 1143613959 /nfs/dbraw/zinc/61/39/59/1143613959.db2.gz YMUODNNORBDXOJ-JKSUJKDBSA-N 1 3 312.417 2.478 20 0 DEADHO CC/C=C/CCN1CC[C@@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001479240623 1143802929 /nfs/dbraw/zinc/80/29/29/1143802929.db2.gz IIVJMFJBJHZHTQ-FYCOFBDGSA-N 1 3 307.482 2.217 20 0 DEADHO CCN(CC)CC[C@H](C)[NH2+]C1CCN(c2ncccn2)CC1 ZINC001255943227 1143815951 /nfs/dbraw/zinc/81/59/51/1143815951.db2.gz KUNYBEITBOKJLK-HNNXBMFYSA-N 1 3 305.470 2.155 20 0 DEADHO CC[NH+](CC)CC[C@@H](C)N[C@H]1CCN(Cc2ccncc2)C1 ZINC001255954362 1143816501 /nfs/dbraw/zinc/81/65/01/1143816501.db2.gz VJXPLZGSJABLFW-AEFFLSMTSA-N 1 3 304.482 2.366 20 0 DEADHO CC[NH+](CC)CC[C@@H](C)N1CCC(C)(N2CCOCC2)CC1 ZINC001255963165 1143817551 /nfs/dbraw/zinc/81/75/51/1143817551.db2.gz DPALOOFIFJYXLI-QGZVFWFLSA-N 1 3 311.514 2.294 20 0 DEADHO NCCC[N@H+](C1CCCCC1)C1CCN(c2ncccn2)CC1 ZINC001256046092 1143824777 /nfs/dbraw/zinc/82/47/77/1143824777.db2.gz YUTULARJGCOQLS-UHFFFAOYSA-N 1 3 317.481 2.429 20 0 DEADHO NCCC[N@@H+](C1CCCCC1)C1CCN(c2ncccn2)CC1 ZINC001256046092 1143824779 /nfs/dbraw/zinc/82/47/79/1143824779.db2.gz YUTULARJGCOQLS-UHFFFAOYSA-N 1 3 317.481 2.429 20 0 DEADHO CC(C)CC[C@@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001256364323 1143844867 /nfs/dbraw/zinc/84/48/67/1143844867.db2.gz IYCRMLFMWMWZNR-BDXSIMOUSA-N 1 3 319.497 2.497 20 0 DEADHO CC(C)CC[C@@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001256364323 1143844868 /nfs/dbraw/zinc/84/48/68/1143844868.db2.gz IYCRMLFMWMWZNR-BDXSIMOUSA-N 1 3 319.497 2.497 20 0 DEADHO C[C@H](Cc1ccccn1)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001256405917 1143846745 /nfs/dbraw/zinc/84/67/45/1143846745.db2.gz QQYHJVVMBRNZPQ-JFIYKMOQSA-N 1 3 303.450 2.246 20 0 DEADHO CCOC(=O)CC1(N)CC[NH+](C2CCC(OCC)CC2)CC1 ZINC001256436547 1143848814 /nfs/dbraw/zinc/84/88/14/1143848814.db2.gz IVEGIFSGXSCQEH-UHFFFAOYSA-N 1 3 312.454 2.081 20 0 DEADHO c1ccc2c(c1)CC([NH2+]C1CCC(N3CCOCC3)CC1)C2 ZINC001256675792 1143861278 /nfs/dbraw/zinc/86/12/78/1143861278.db2.gz IMPSZZIJYKSGHR-UHFFFAOYSA-N 1 3 300.446 2.387 20 0 DEADHO OCC[C@@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1ccccc1 ZINC001256677796 1143861380 /nfs/dbraw/zinc/86/13/80/1143861380.db2.gz PERHETQPIRJEQB-CTWPCTMYSA-N 1 3 318.461 2.343 20 0 DEADHO O[C@H](CC[NH2+]C1CCC(N2CCOCC2)CC1)c1ccccc1 ZINC001256679115 1143861755 /nfs/dbraw/zinc/86/17/55/1143861755.db2.gz DFEKVZIGDYHNGZ-CTWPCTMYSA-N 1 3 318.461 2.343 20 0 DEADHO Clc1ccc(C[NH2+]C2CCC(N3CCOCC3)CC2)nc1 ZINC001256679465 1143861860 /nfs/dbraw/zinc/86/18/60/1143861860.db2.gz LYRFPISUPRTAAC-UHFFFAOYSA-N 1 3 309.841 2.468 20 0 DEADHO Clc1cncc(C[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256683776 1143862001 /nfs/dbraw/zinc/86/20/01/1143862001.db2.gz HDKPGGZXDWNLQJ-UHFFFAOYSA-N 1 3 309.841 2.468 20 0 DEADHO CCCCCN1CC[NH+](C2CCC(N3CCOCC3)CC2)CC1 ZINC001256694872 1143863121 /nfs/dbraw/zinc/86/31/21/1143863121.db2.gz HTBDTVCXYSEQHR-UHFFFAOYSA-N 1 3 323.525 2.438 20 0 DEADHO CC[N@H+](C1CCC(N2CCOCC2)CC1)C1CCN(C)CC1 ZINC001256694618 1143863391 /nfs/dbraw/zinc/86/33/91/1143863391.db2.gz AEXHWUZELKKQGN-UHFFFAOYSA-N 1 3 309.498 2.046 20 0 DEADHO CC[N@@H+](C1CCC(N2CCOCC2)CC1)C1CCN(C)CC1 ZINC001256694618 1143863393 /nfs/dbraw/zinc/86/33/93/1143863393.db2.gz AEXHWUZELKKQGN-UHFFFAOYSA-N 1 3 309.498 2.046 20 0 DEADHO C[C@H](Cc1ccncc1)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001256730148 1143864516 /nfs/dbraw/zinc/86/45/16/1143864516.db2.gz RJZBAOULFRZLEY-MRXNPFEDSA-N 1 3 317.477 2.493 20 0 DEADHO CCOC(=O)[C@H]1CC[C@H]([NH+]2CCC(N)(c3cccnc3)CC2)C1 ZINC001257049546 1143883085 /nfs/dbraw/zinc/88/30/85/1143883085.db2.gz WYVAJANFQMFNDR-HOCLYGCPSA-N 1 3 317.433 2.063 20 0 DEADHO CC(C)[NH+]1CCC(N2C[C@H]3[C@H](CN3C(=O)OC(C)(C)C)C2)CC1 ZINC001257224164 1143894807 /nfs/dbraw/zinc/89/48/07/1143894807.db2.gz QLJQLMHRZMFVRC-HOCLYGCPSA-N 1 3 323.481 2.410 20 0 DEADHO O[C@H]1CCN(C2CC[NH+](CCc3ccccc3)CC2)CC[C@@H]1F ZINC001258140878 1143977988 /nfs/dbraw/zinc/97/79/88/1143977988.db2.gz MGBUDKCDMFLRRO-OALUTQOASA-N 1 3 320.452 2.488 20 0 DEADHO COC(=O)CC[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001258358789 1143996016 /nfs/dbraw/zinc/99/60/16/1143996016.db2.gz SCBZQBVPFMVXEG-OAHLLOKOSA-N 1 3 319.449 2.225 20 0 DEADHO COC(=O)c1cc(CNCC2=CC[N@H+](C)CC2)[nH]c1C(C)C ZINC001262110126 1144291456 /nfs/dbraw/zinc/29/14/56/1144291456.db2.gz SEJCANMXVRXEHH-UHFFFAOYSA-N 1 3 305.422 2.276 20 0 DEADHO COC(=O)c1cc(CNCC2=CC[N@@H+](C)CC2)[nH]c1C(C)C ZINC001262110126 1144291460 /nfs/dbraw/zinc/29/14/60/1144291460.db2.gz SEJCANMXVRXEHH-UHFFFAOYSA-N 1 3 305.422 2.276 20 0 DEADHO C[C@@H](NC(=O)N1CCC(C(C)(C)C[NH3+])CC1)C1=CCN(C)CC1 ZINC001262579978 1144320748 /nfs/dbraw/zinc/32/07/48/1144320748.db2.gz FTCPDKFWHPIBRB-CQSZACIVSA-N 1 3 322.497 2.043 20 0 DEADHO C[C@H](NC(=O)N1CCC(C(C)(C)C[NH3+])CC1)C1=CCN(C)CC1 ZINC001262579977 1144320871 /nfs/dbraw/zinc/32/08/71/1144320871.db2.gz FTCPDKFWHPIBRB-AWEZNQCLSA-N 1 3 322.497 2.043 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)NCCCCCC1CC[NH2+]CC1 ZINC001262591735 1144322022 /nfs/dbraw/zinc/32/20/22/1144322022.db2.gz VURGOSAIYLYYPI-KRWDZBQOSA-N 1 3 324.513 2.330 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCCCCF)C1)N(C)C ZINC001265217104 1144668704 /nfs/dbraw/zinc/66/87/04/1144668704.db2.gz RTCHVWCEEFQQDY-CVEARBPZSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCCCCF)C1)N(C)C ZINC001265217104 1144668705 /nfs/dbraw/zinc/66/87/05/1144668705.db2.gz RTCHVWCEEFQQDY-CVEARBPZSA-N 1 3 315.477 2.293 20 0 DEADHO CN(CC(=O)N1CCCC[C@@H]1C[NH2+]C/C=C\Cl)C1CCC1 ZINC001265674032 1144725948 /nfs/dbraw/zinc/72/59/48/1144725948.db2.gz QHTAJODDEGMMAH-HMZQOCAUSA-N 1 3 313.873 2.194 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1CCC ZINC001265717282 1144733833 /nfs/dbraw/zinc/73/38/33/1144733833.db2.gz YBWMYRCOVSWMHO-HOIGQRGTSA-N 1 3 319.493 2.264 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1CCC ZINC001265717282 1144733836 /nfs/dbraw/zinc/73/38/36/1144733836.db2.gz YBWMYRCOVSWMHO-HOIGQRGTSA-N 1 3 319.493 2.264 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001265964010 1144770867 /nfs/dbraw/zinc/77/08/67/1144770867.db2.gz PCJDWZPJJLGTDZ-QZTJIDSGSA-N 1 3 319.493 2.409 20 0 DEADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]CCCC(C)(C)C)C1 ZINC001279274132 1144819965 /nfs/dbraw/zinc/81/99/65/1144819965.db2.gz PLSSDHHDXVGUAC-UYSNPLJNSA-N 1 3 309.498 2.486 20 0 DEADHO CC/C=C/CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001279999814 1144830748 /nfs/dbraw/zinc/83/07/48/1144830748.db2.gz PKHHVRATCCDUSH-ADDHZHGLSA-N 1 3 307.482 2.265 20 0 DEADHO CC/C=C/CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001279999815 1144830851 /nfs/dbraw/zinc/83/08/51/1144830851.db2.gz PKHHVRATCCDUSH-FDRQBBGKSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCCC[C@@]23CCCOC3)CC1 ZINC001364542084 1145327218 /nfs/dbraw/zinc/32/72/18/1145327218.db2.gz XAFREUHWTQVXQR-IBGZPJMESA-N 1 3 323.525 2.438 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCCC[C@@]23CCCOC3)CC1 ZINC001364542084 1145327224 /nfs/dbraw/zinc/32/72/24/1145327224.db2.gz XAFREUHWTQVXQR-IBGZPJMESA-N 1 3 323.525 2.438 20 0 DEADHO CC[NH+](CC)CC[C@H](C)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC001364606242 1145374227 /nfs/dbraw/zinc/37/42/27/1145374227.db2.gz QNWDHJNWDMSDSF-RDJZCZTQSA-N 1 3 324.513 2.423 20 0 DEADHO CN1C[C@@H]2CC[C@H]([NH2+]C3CC(CNC(=O)OC(C)(C)C)C3)[C@H]2C1 ZINC001364736055 1145525580 /nfs/dbraw/zinc/52/55/80/1145525580.db2.gz XUJNXNPQFLJHBP-NQBOGQKCSA-N 1 3 323.481 2.220 20 0 DEADHO CN1C[C@@H]2CC[C@H]([NH2+]C3CCN(c4nccs4)CC3)[C@@H]2C1 ZINC001364930693 1145688826 /nfs/dbraw/zinc/68/88/26/1145688826.db2.gz IZVQSEOWGVCLCW-CFVMTHIKSA-N 1 3 306.479 2.042 20 0 DEADHO COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]C[C@@H]3CCCN(CC4CC4)C3)[C@H]2C1 ZINC001364982776 1145730858 /nfs/dbraw/zinc/73/08/58/1145730858.db2.gz FRYOGAOJBYXFQG-PNKHAZJDSA-N 1 3 320.477 2.286 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001365323044 1145846922 /nfs/dbraw/zinc/84/69/22/1145846922.db2.gz YWCZZMZQBIQCGI-HOTGVXAUSA-N 1 3 324.513 2.375 20 0 DEADHO CC[C@H](C)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001480665442 1146023268 /nfs/dbraw/zinc/02/32/68/1146023268.db2.gz LPLKRPBYRCNHQW-HOTGVXAUSA-N 1 3 311.514 2.449 20 0 DEADHO CC(C)[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001365859816 1146031613 /nfs/dbraw/zinc/03/16/13/1146031613.db2.gz HEIRWYVVGBUILK-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C2(N(C)C)CCC2)CC1 ZINC001366006515 1147004612 /nfs/dbraw/zinc/00/46/12/1147004612.db2.gz JOGOZHXNUOZAKA-INIZCTEOSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001366133826 1147071527 /nfs/dbraw/zinc/07/15/27/1147071527.db2.gz ZQNZIKXLAMVHMD-AKFGQJDVSA-N 1 3 315.461 2.278 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1)N(C)C ZINC001366137479 1147073414 /nfs/dbraw/zinc/07/34/14/1147073414.db2.gz WOILTGWDNSFLLK-HJWJTTGWSA-N 1 3 303.450 2.325 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001366168528 1147089498 /nfs/dbraw/zinc/08/94/98/1147089498.db2.gz SXOUGUYMVGAZCW-CALCHBBNSA-N 1 3 321.440 2.235 20 0 DEADHO CC[C@@H](C(=O)NC1CCC([NH2+]C/C=C/Cl)CC1)N(C)C ZINC001366244560 1147154335 /nfs/dbraw/zinc/15/43/35/1147154335.db2.gz ZMMWDVZNFDVHIS-GPZWKFEJSA-N 1 3 301.862 2.096 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001366352730 1147230250 /nfs/dbraw/zinc/23/02/50/1147230250.db2.gz NNKCTRYEZBEFFU-CZUORRHYSA-N 1 3 309.429 2.091 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](C)Cc1ccc(C)cc1C)N(C)C ZINC001366584204 1147374257 /nfs/dbraw/zinc/37/42/57/1147374257.db2.gz PSFDGAIYZITWTB-KRWDZBQOSA-N 1 3 305.466 2.192 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](C)Cc1ccc(C)cc1C)N(C)C ZINC001366584204 1147374262 /nfs/dbraw/zinc/37/42/62/1147374262.db2.gz PSFDGAIYZITWTB-KRWDZBQOSA-N 1 3 305.466 2.192 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](Cc1cccc(C)c1)C1CC1)N(C)C ZINC001366752688 1147539321 /nfs/dbraw/zinc/53/93/21/1147539321.db2.gz WPWCURQAAKZRDB-SFHVURJKSA-N 1 3 317.477 2.416 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](Cc1cccc(C)c1)C1CC1)N(C)C ZINC001366752688 1147539327 /nfs/dbraw/zinc/53/93/27/1147539327.db2.gz WPWCURQAAKZRDB-SFHVURJKSA-N 1 3 317.477 2.416 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](Cc1ccccc1)C1CC1)N(C)C ZINC001366758461 1147545268 /nfs/dbraw/zinc/54/52/68/1147545268.db2.gz PXDWVLYIBRUFEA-KRWDZBQOSA-N 1 3 303.450 2.107 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](Cc1ccccc1)C1CC1)N(C)C ZINC001366758461 1147545277 /nfs/dbraw/zinc/54/52/77/1147545277.db2.gz PXDWVLYIBRUFEA-KRWDZBQOSA-N 1 3 303.450 2.107 20 0 DEADHO CC[C@@H](C)C[NH2+][C@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001366782316 1147557732 /nfs/dbraw/zinc/55/77/32/1147557732.db2.gz LKOURPXUYKPPHP-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CN(C)C1(C(=O)N2CCCCC[C@H]([NH2+]CCCF)C2)CCC1 ZINC001316774954 1147578522 /nfs/dbraw/zinc/57/85/22/1147578522.db2.gz XLZSOIJDWRPPCH-HNNXBMFYSA-N 1 3 313.461 2.191 20 0 DEADHO CC[C@H](F)CN(C)CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001316826116 1147608666 /nfs/dbraw/zinc/60/86/66/1147608666.db2.gz YBSRSWARBASQML-HNNXBMFYSA-N 1 3 315.477 2.437 20 0 DEADHO CC[N@H+](CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001316924598 1147632783 /nfs/dbraw/zinc/63/27/83/1147632783.db2.gz XCXMMYQIRXQCHJ-KRWDZBQOSA-N 1 3 313.461 2.190 20 0 DEADHO CC[N@@H+](CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001316924598 1147632785 /nfs/dbraw/zinc/63/27/85/1147632785.db2.gz XCXMMYQIRXQCHJ-KRWDZBQOSA-N 1 3 313.461 2.190 20 0 DEADHO CC[C@H](CNC(=O)CC[NH+](C)C)N[C@H](C)c1ccccc1F ZINC001367129223 1147653849 /nfs/dbraw/zinc/65/38/49/1147653849.db2.gz SFOZXLITQJGXTP-ZIAGYGMSSA-N 1 3 309.429 2.323 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]CC1CCCCC1 ZINC001367268586 1147671904 /nfs/dbraw/zinc/67/19/04/1147671904.db2.gz BHBJANCSLRBXTJ-HOTGVXAUSA-N 1 3 309.498 2.250 20 0 DEADHO C[N@H+](CCC1CC1)CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001367445299 1147694906 /nfs/dbraw/zinc/69/49/06/1147694906.db2.gz ALZXECSJJRASIP-UHFFFAOYSA-N 1 3 318.465 2.313 20 0 DEADHO C[N@@H+](CCC1CC1)CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001367445299 1147694907 /nfs/dbraw/zinc/69/49/07/1147694907.db2.gz ALZXECSJJRASIP-UHFFFAOYSA-N 1 3 318.465 2.313 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(CC=C(C)C)C1CC1 ZINC001317552583 1147724366 /nfs/dbraw/zinc/72/43/66/1147724366.db2.gz XWNZGXNVWVLBHS-KRWDZBQOSA-N 1 3 307.482 2.408 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(CC=C(C)C)C1CC1 ZINC001317552583 1147724367 /nfs/dbraw/zinc/72/43/67/1147724367.db2.gz XWNZGXNVWVLBHS-KRWDZBQOSA-N 1 3 307.482 2.408 20 0 DEADHO Cc1cc(C[NH2+]CCN(C)C(=O)CN(C)C2CCC2)c(C)s1 ZINC001317595241 1147730672 /nfs/dbraw/zinc/73/06/72/1147730672.db2.gz ORLWDJPDVRQQBW-UHFFFAOYSA-N 1 3 323.506 2.397 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001317627107 1147735120 /nfs/dbraw/zinc/73/51/20/1147735120.db2.gz NLWWLCXIGVPOET-QGZVFWFLSA-N 1 3 323.456 2.268 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCc2c1cccc2F)N(C)C ZINC001367738779 1147735606 /nfs/dbraw/zinc/73/56/06/1147735606.db2.gz DOIXKDBSDHGUBZ-AFAVFJNCSA-N 1 3 321.440 2.248 20 0 DEADHO Cc1cc(C[NH2+]C[C@H](C)NC(=O)CN(C)C2CCC2)c(C)s1 ZINC001367741346 1147735910 /nfs/dbraw/zinc/73/59/10/1147735910.db2.gz VPOJVYWFPLAZNB-LBPRGKRZSA-N 1 3 323.506 2.444 20 0 DEADHO C[C@H](C[N@H+](C)CCCC1CCC1)NC(=O)C1(N(C)C)CCC1 ZINC001367805779 1147749754 /nfs/dbraw/zinc/74/97/54/1147749754.db2.gz MRUZQFDLYWDQRX-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](C[N@@H+](C)CCCC1CCC1)NC(=O)C1(N(C)C)CCC1 ZINC001367805779 1147749755 /nfs/dbraw/zinc/74/97/55/1147749755.db2.gz MRUZQFDLYWDQRX-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](C[N@H+](C)CC1CC1)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001367834863 1147756229 /nfs/dbraw/zinc/75/62/29/1147756229.db2.gz OBQTWENNPUAARA-CXAGYDPISA-N 1 3 313.461 2.045 20 0 DEADHO C[C@H](C[N@@H+](C)CC1CC1)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001367834863 1147756231 /nfs/dbraw/zinc/75/62/31/1147756231.db2.gz OBQTWENNPUAARA-CXAGYDPISA-N 1 3 313.461 2.045 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[N@H+](C)Cc1cccc(C)c1 ZINC001367845816 1147759300 /nfs/dbraw/zinc/75/93/00/1147759300.db2.gz KDIPBBGPSVBLJP-MRXNPFEDSA-N 1 3 305.466 2.273 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[N@@H+](C)Cc1cccc(C)c1 ZINC001367845816 1147759302 /nfs/dbraw/zinc/75/93/02/1147759302.db2.gz KDIPBBGPSVBLJP-MRXNPFEDSA-N 1 3 305.466 2.273 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001368119910 1148249431 /nfs/dbraw/zinc/24/94/31/1148249431.db2.gz SXGMZSUZBHQNFL-OAHLLOKOSA-N 1 3 309.479 2.171 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CC2CC2)CC1 ZINC001368200119 1148321100 /nfs/dbraw/zinc/32/11/00/1148321100.db2.gz BWUDOPAKUZIMBR-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)N(C)CC(=O)NCC1(C)CC[NH+](CCC2CC2)CC1 ZINC001368207108 1148325553 /nfs/dbraw/zinc/32/55/53/1148325553.db2.gz BJGIHSOIGDRGRU-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H](N)C2CCC2)CC1 ZINC000423317356 230484360 /nfs/dbraw/zinc/48/43/60/230484360.db2.gz ATNJBYFHBVPOQO-GOSISDBHSA-N 1 3 315.461 2.203 20 0 DEADHO C[NH+](C)Cc1cccc(CN[C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000293770403 282148769 /nfs/dbraw/zinc/14/87/69/282148769.db2.gz ZUASXFQLSOOVPY-SJORKVTESA-N 1 3 324.490 2.194 20 0 DEADHO CN1CC[C@@H]2CCN(C(=O)C[C@@H](c3ccccc3)[NH+](C)C)[C@H]2C1 ZINC000416203972 282168664 /nfs/dbraw/zinc/16/86/64/282168664.db2.gz ZPGBLVHZAVEYCM-SQNIBIBYSA-N 1 3 315.461 2.232 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000418033745 529449644 /nfs/dbraw/zinc/44/96/44/529449644.db2.gz NRWARGLCYNIVLG-IRXDYDNUSA-N 1 3 320.481 2.180 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000417547960 529610160 /nfs/dbraw/zinc/61/01/60/529610160.db2.gz HNFJGCXWIXHEQM-GUYCJALGSA-N 1 3 318.465 2.031 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000417547960 529610163 /nfs/dbraw/zinc/61/01/63/529610163.db2.gz HNFJGCXWIXHEQM-GUYCJALGSA-N 1 3 318.465 2.031 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000417547961 529614982 /nfs/dbraw/zinc/61/49/82/529614982.db2.gz HNFJGCXWIXHEQM-SUMWQHHRSA-N 1 3 318.465 2.031 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000417547961 529614985 /nfs/dbraw/zinc/61/49/85/529614985.db2.gz HNFJGCXWIXHEQM-SUMWQHHRSA-N 1 3 318.465 2.031 20 0 DEADHO CCCN(CCN(C)C)C(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000625281869 365713357 /nfs/dbraw/zinc/71/33/57/365713357.db2.gz UOCAXTJKBZEBEL-ZWKOTPCHSA-N 1 3 317.477 2.132 20 0 DEADHO CCCN(CCN(C)C)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000625281869 365713366 /nfs/dbraw/zinc/71/33/66/365713366.db2.gz UOCAXTJKBZEBEL-ZWKOTPCHSA-N 1 3 317.477 2.132 20 0 DEADHO C[C@@H]1CCC[C@@H](C[NH+]2CCC(C(=O)NCCN(C)C)CC2)C1 ZINC000092803415 185342281 /nfs/dbraw/zinc/34/22/81/185342281.db2.gz RQPZRJAJUPVIDK-HZPDHXFCSA-N 1 3 309.498 2.203 20 0 DEADHO Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C1CCC(O)CC1 ZINC000095427044 185361901 /nfs/dbraw/zinc/36/19/01/185361901.db2.gz FXCGJBGIMRISKV-FAFZWHIHSA-N 1 3 318.461 2.261 20 0 DEADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000422023645 529966350 /nfs/dbraw/zinc/96/63/50/529966350.db2.gz PLBJBZDDKXGJGF-GOSISDBHSA-N 1 3 324.428 2.413 20 0 DEADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000422023645 529966352 /nfs/dbraw/zinc/96/63/52/529966352.db2.gz PLBJBZDDKXGJGF-GOSISDBHSA-N 1 3 324.428 2.413 20 0 DEADHO C[NH2+]CCCNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000417735109 529968536 /nfs/dbraw/zinc/96/85/36/529968536.db2.gz KXJOBLRPXIULQZ-DZGCQCFKSA-N 1 3 324.494 2.040 20 0 DEADHO C[NH2+]CCc1ccccc1C(=O)Nc1ccc2c(c1)CNCC2 ZINC000422543769 529979630 /nfs/dbraw/zinc/97/96/30/529979630.db2.gz SOVSAEVYRJCFEZ-UHFFFAOYSA-N 1 3 309.413 2.347 20 0 DEADHO C[N@@H+]1CCC[C@@]2(CCN(CCC(=O)Nc3ccccc3)C2)C1 ZINC000293077670 530059409 /nfs/dbraw/zinc/05/94/09/530059409.db2.gz WBBYQGOROAIKKG-GOSISDBHSA-N 1 3 301.434 2.433 20 0 DEADHO C[N@H+]1CCC[C@@]2(CCN(CCC(=O)Nc3ccccc3)C2)C1 ZINC000293077670 530059410 /nfs/dbraw/zinc/05/94/10/530059410.db2.gz WBBYQGOROAIKKG-GOSISDBHSA-N 1 3 301.434 2.433 20 0 DEADHO C[C@H](O)CCN(C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000093481919 539430451 /nfs/dbraw/zinc/43/04/51/539430451.db2.gz DAFQBCKODOVYHK-INIZCTEOSA-N 1 3 306.450 2.364 20 0 DEADHO CCN(CC)CC(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000615439966 362608043 /nfs/dbraw/zinc/60/80/43/362608043.db2.gz GRXGVLJSBPOGAT-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO COc1ccc(OC)c(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166361155 539609229 /nfs/dbraw/zinc/60/92/29/539609229.db2.gz PDDHDHFQHGXDPB-HZPDHXFCSA-N 1 3 304.434 2.463 20 0 DEADHO COc1ccc(OC)c(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166361155 539609232 /nfs/dbraw/zinc/60/92/32/539609232.db2.gz PDDHDHFQHGXDPB-HZPDHXFCSA-N 1 3 304.434 2.463 20 0 DEADHO CO[C@H]1CCN(Cc2ccc(C[N@@H+]3CC[C@H](OC)C3)cc2)C1 ZINC000267831651 186370084 /nfs/dbraw/zinc/37/00/84/186370084.db2.gz RIIJXBHCHRFVEO-ROUUACIJSA-N 1 3 304.434 2.128 20 0 DEADHO CO[C@H]1CCN(Cc2ccc(C[N@H+]3CC[C@H](OC)C3)cc2)C1 ZINC000267831651 186370085 /nfs/dbraw/zinc/37/00/85/186370085.db2.gz RIIJXBHCHRFVEO-ROUUACIJSA-N 1 3 304.434 2.128 20 0 DEADHO CN(C(=O)C1([NH3+])CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309752101 539879064 /nfs/dbraw/zinc/87/90/64/539879064.db2.gz ZUIBNCWDEMBUFI-KRWDZBQOSA-N 1 3 315.461 2.381 20 0 DEADHO CN(CCOc1ccc2ccccc2c1)CCN1CC[NH2+]CC1 ZINC000321551446 539900055 /nfs/dbraw/zinc/90/00/55/539900055.db2.gz DZFAPZOVDYRCGU-UHFFFAOYSA-N 1 3 313.445 2.056 20 0 DEADHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000072858811 191241563 /nfs/dbraw/zinc/24/15/63/191241563.db2.gz PORRDVDNFHOTNW-AWEZNQCLSA-N 1 3 307.413 2.428 20 0 DEADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000072858811 191241564 /nfs/dbraw/zinc/24/15/64/191241564.db2.gz PORRDVDNFHOTNW-AWEZNQCLSA-N 1 3 307.413 2.428 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CCCCN1CC ZINC000357816691 535242460 /nfs/dbraw/zinc/24/24/60/535242460.db2.gz ZLCHGKNLRSAORM-HOTGVXAUSA-N 1 3 312.502 2.280 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CCCCN1CC ZINC000357816691 535242464 /nfs/dbraw/zinc/24/24/64/535242464.db2.gz ZLCHGKNLRSAORM-HOTGVXAUSA-N 1 3 312.502 2.280 20 0 DEADHO C[NH+](C)[C@@H](CNC(=O)NCCN1CCCCC1)C1CCCCC1 ZINC000045196274 354251756 /nfs/dbraw/zinc/25/17/56/354251756.db2.gz FUWAPJLYBYXHNL-KRWDZBQOSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@H](CCN1CCC[C@@](C)(O)CC1)[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000348379200 540022104 /nfs/dbraw/zinc/02/21/04/540022104.db2.gz UJQSSZHIZKOZOC-KZNAEPCWSA-N 1 3 312.498 2.239 20 0 DEADHO C[C@H](CCN1CCC[C@@](C)(O)CC1)[N@H+]1CCC[C@@](C)(O)CC1 ZINC000348379200 540022107 /nfs/dbraw/zinc/02/21/07/540022107.db2.gz UJQSSZHIZKOZOC-KZNAEPCWSA-N 1 3 312.498 2.239 20 0 DEADHO C[C@H](CC[N@@H+]1CCC[C@@](C)(O)CC1)N1CCC[C@@](C)(O)CC1 ZINC000348379200 540022109 /nfs/dbraw/zinc/02/21/09/540022109.db2.gz UJQSSZHIZKOZOC-KZNAEPCWSA-N 1 3 312.498 2.239 20 0 DEADHO C[C@H](CC[N@H+]1CCC[C@@](C)(O)CC1)N1CCC[C@@](C)(O)CC1 ZINC000348379200 540022113 /nfs/dbraw/zinc/02/21/13/540022113.db2.gz UJQSSZHIZKOZOC-KZNAEPCWSA-N 1 3 312.498 2.239 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)N1CCCCC1 ZINC000236806228 202019239 /nfs/dbraw/zinc/01/92/39/202019239.db2.gz WDWVNNFXNRBGEU-GOSISDBHSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1CCN(C)CCN1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000355477070 283063517 /nfs/dbraw/zinc/06/35/17/283063517.db2.gz SMWVLBQZGDFOSK-RDJZCZTQSA-N 1 3 324.513 2.233 20 0 DEADHO Cc1ccccc1[C@@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000077750815 355225011 /nfs/dbraw/zinc/22/50/11/355225011.db2.gz NXERBPKFYIGVDR-MRXNPFEDSA-N 1 3 320.481 2.191 20 0 DEADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000073726245 191348209 /nfs/dbraw/zinc/34/82/09/191348209.db2.gz RQNQCAQFAHOLOB-SFHVURJKSA-N 1 3 315.461 2.109 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2c2ccccc2)C1 ZINC000414740973 540156671 /nfs/dbraw/zinc/15/66/71/540156671.db2.gz RNLJWFAOVWPGKH-AEFFLSMTSA-N 1 3 315.461 2.411 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2c2ccccc2)C1 ZINC000414740973 540156674 /nfs/dbraw/zinc/15/66/74/540156674.db2.gz RNLJWFAOVWPGKH-AEFFLSMTSA-N 1 3 315.461 2.411 20 0 DEADHO CC[C@@H](C(=O)N1CCC([NH2+]CCCN)CC1)c1ccccc1 ZINC000415120531 540159008 /nfs/dbraw/zinc/15/90/08/540159008.db2.gz YJDVYDOAKUCJTH-QGZVFWFLSA-N 1 3 303.450 2.110 20 0 DEADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc(F)cn2)CC1 ZINC000092739011 355649069 /nfs/dbraw/zinc/64/90/69/355649069.db2.gz YRFZFKZITHQYCK-HNNXBMFYSA-N 1 3 308.445 2.289 20 0 DEADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000447963599 540186856 /nfs/dbraw/zinc/18/68/56/540186856.db2.gz NOWHOUVFJRUGJD-HUUCEWRRSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)N(C)C1CC1 ZINC000105070661 355719462 /nfs/dbraw/zinc/71/94/62/355719462.db2.gz AVWWAPNIQFRVNW-GFCCVEGCSA-N 1 3 310.486 2.078 20 0 DEADHO Cc1cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1C ZINC000119654773 355787074 /nfs/dbraw/zinc/78/70/74/355787074.db2.gz IZHOSMDICHDMDU-UHFFFAOYSA-N 1 3 306.454 2.261 20 0 DEADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C12CCCN1CCC2 ZINC000370526243 283126028 /nfs/dbraw/zinc/12/60/28/283126028.db2.gz CJVSYZAMSKVKSJ-BZUAXINKSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)N1 ZINC000168773754 355978333 /nfs/dbraw/zinc/97/83/33/355978333.db2.gz LUFQNFIBQMOZPY-IYBDPMFKSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@H]1C[C@@H](NCCc2nnc(-c3ccccc3)o2)CC[N@@H+]1C ZINC000181562157 356085617 /nfs/dbraw/zinc/08/56/17/356085617.db2.gz KPKFDJFRBRXQCM-ZFWWWQNUSA-N 1 3 300.406 2.351 20 0 DEADHO C[C@H]1C[C@@H](NCCc2nnc(-c3ccccc3)o2)CC[N@H+]1C ZINC000181562157 356085620 /nfs/dbraw/zinc/08/56/20/356085620.db2.gz KPKFDJFRBRXQCM-ZFWWWQNUSA-N 1 3 300.406 2.351 20 0 DEADHO C[C@H](CCNC(=O)NC[C@H](C)N(C)C1CC1)[NH+]1CCCCC1 ZINC000181711114 356091488 /nfs/dbraw/zinc/09/14/88/356091488.db2.gz XNHMJLWUQVTATA-CABCVRRESA-N 1 3 310.486 2.033 20 0 DEADHO CCS(=O)(=O)C[C@@H](C)[NH2+]CC1CCN(CCC(C)C)CC1 ZINC000183086339 356160110 /nfs/dbraw/zinc/16/01/10/356160110.db2.gz RREAHSMZLZDGLA-OAHLLOKOSA-N 1 3 318.527 2.157 20 0 DEADHO CCC[C@H](CC)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195280882 356252353 /nfs/dbraw/zinc/25/23/53/356252353.db2.gz XVGXBORHEMRLMD-HNNXBMFYSA-N 1 3 324.513 2.423 20 0 DEADHO CC(C)[C@@H](C(=O)Nc1ccc(OCCN(C)C)cc1)[C@H](C)[NH3+] ZINC000399674826 283153683 /nfs/dbraw/zinc/15/36/83/283153683.db2.gz TWOJQYSKCXHVLU-XJKSGUPXSA-N 1 3 307.438 2.185 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)[C@H](N)c2ccccc2)C1 ZINC000316262220 356428440 /nfs/dbraw/zinc/42/84/40/356428440.db2.gz FVLDLNNBLQHKFK-ZOBUZTSGSA-N 1 3 303.450 2.169 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)[C@H](N)c2ccccc2)C1 ZINC000316262220 356428445 /nfs/dbraw/zinc/42/84/45/356428445.db2.gz FVLDLNNBLQHKFK-ZOBUZTSGSA-N 1 3 303.450 2.169 20 0 DEADHO C[C@@H](C(=O)NCC[NH+]1CCCCCC1)[C@@H](N)c1ccccc1 ZINC000316533746 356430079 /nfs/dbraw/zinc/43/00/79/356430079.db2.gz KUHQSESDMCHJRT-NVXWUHKLSA-N 1 3 303.450 2.315 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CNCc2ccccc21 ZINC000321001774 356447964 /nfs/dbraw/zinc/44/79/64/356447964.db2.gz NDPNPDCCYYBFQK-CRAIPNDOSA-N 1 3 315.461 2.254 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CNCc2ccccc21 ZINC000321001774 356447965 /nfs/dbraw/zinc/44/79/65/356447965.db2.gz NDPNPDCCYYBFQK-CRAIPNDOSA-N 1 3 315.461 2.254 20 0 DEADHO COc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H](C)CN(C)C)cc1 ZINC000291663684 404469306 /nfs/dbraw/zinc/46/93/06/404469306.db2.gz FLYIIPIPCDOKTO-CYBMUJFWSA-N 1 3 302.422 2.373 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000236828666 202029771 /nfs/dbraw/zinc/02/97/71/202029771.db2.gz ZHVQZUSDGWXGEH-IRXDYDNUSA-N 1 3 303.450 2.328 20 0 DEADHO CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000236934770 202079406 /nfs/dbraw/zinc/07/94/06/202079406.db2.gz BODAKCGCSAJPOB-OLMNPRSZSA-N 1 3 317.477 2.313 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C1CC[NH2+]CC1 ZINC000236924019 202073188 /nfs/dbraw/zinc/07/31/88/202073188.db2.gz LKJAFJWFUKCTIK-UHFFFAOYSA-N 1 3 303.450 2.096 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)[C@@]2(C)CCC[NH2+]C2)N(C)C)cc1 ZINC000236959786 202095232 /nfs/dbraw/zinc/09/52/32/202095232.db2.gz RSWGREFMZQBXAC-MJGOQNOKSA-N 1 3 317.477 2.358 20 0 DEADHO CC[C@H]([NH3+])C(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC000236961685 202095543 /nfs/dbraw/zinc/09/55/43/202095543.db2.gz IKBPGEVKMRLMOK-AWEZNQCLSA-N 1 3 307.463 2.220 20 0 DEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc(C[NH3+])cc1 ZINC000237012806 202122644 /nfs/dbraw/zinc/12/26/44/202122644.db2.gz YOWIGLHYPIVUCH-GOSISDBHSA-N 1 3 311.429 2.048 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)N(C)C)cc1 ZINC000236980450 202107038 /nfs/dbraw/zinc/10/70/38/202107038.db2.gz UIRYAGQBAMDIDG-ZACQAIPSSA-N 1 3 303.450 2.095 20 0 DEADHO C[C@H](C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)[C@H](N)c1ccccc1 ZINC000423786550 283202716 /nfs/dbraw/zinc/20/27/16/283202716.db2.gz UAEOMBQXUKFLAZ-RANZSIQMSA-N 1 3 315.461 2.265 20 0 DEADHO C[C@H](C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)[C@H](N)c1ccccc1 ZINC000423786550 283202719 /nfs/dbraw/zinc/20/27/19/283202719.db2.gz UAEOMBQXUKFLAZ-RANZSIQMSA-N 1 3 315.461 2.265 20 0 DEADHO CN(C)C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000423783100 283200990 /nfs/dbraw/zinc/20/09/90/283200990.db2.gz ZVVRDDPMSLPEDP-BMFZPTHFSA-N 1 3 323.868 2.434 20 0 DEADHO CC[C@H](C)[C@H]([NH3+])C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000237019957 202125985 /nfs/dbraw/zinc/12/59/85/202125985.db2.gz MBZPVIZBNUPOGE-VBQJREDUSA-N 1 3 318.465 2.097 20 0 DEADHO CCOC[C@@H](O)C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000381981922 356673906 /nfs/dbraw/zinc/67/39/06/356673906.db2.gz MZURMVBQIPWZCS-MOPGFXCFSA-N 1 3 320.477 2.276 20 0 DEADHO CCOC[C@@H](O)CNC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000381981922 356673907 /nfs/dbraw/zinc/67/39/07/356673907.db2.gz MZURMVBQIPWZCS-MOPGFXCFSA-N 1 3 320.477 2.276 20 0 DEADHO CCOC[C@@H](O)CNC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000381981922 356673911 /nfs/dbraw/zinc/67/39/11/356673911.db2.gz MZURMVBQIPWZCS-MOPGFXCFSA-N 1 3 320.477 2.276 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CC[NH2+]C1CC1 ZINC000382767863 356677885 /nfs/dbraw/zinc/67/78/85/356677885.db2.gz YESOUVGNAAOGOW-INIZCTEOSA-N 1 3 315.461 2.252 20 0 DEADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000387403933 356704203 /nfs/dbraw/zinc/70/42/03/356704203.db2.gz BEFSVLLKEDWZAS-HOTGVXAUSA-N 1 3 305.466 2.430 20 0 DEADHO CCN(CC[NH3+])C(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000626922394 366360530 /nfs/dbraw/zinc/36/05/30/366360530.db2.gz VTJGBEVEEYYHHY-MRXNPFEDSA-N 1 3 306.454 2.060 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cccc(N2CCOCC2)c1 ZINC000578062632 356754877 /nfs/dbraw/zinc/75/48/77/356754877.db2.gz FIXQGYVUZIYAPH-FUHWJXTLSA-N 1 3 303.450 2.130 20 0 DEADHO CCCN(CCC[NH+](C)C)C(=O)NC[C@@H](N)c1ccccc1 ZINC000418424606 283219769 /nfs/dbraw/zinc/21/97/69/283219769.db2.gz GZGYBEMEDSSENB-MRXNPFEDSA-N 1 3 306.454 2.060 20 0 DEADHO C[C@H]1C[C@@H]1N1CCN(C(=O)NCC2([NH3+])CCCCC2)C[C@@H](C)C1 ZINC000578744132 356866115 /nfs/dbraw/zinc/86/61/15/356866115.db2.gz IZTAUSRGRBZYRQ-JYJNAYRXSA-N 1 3 322.497 2.020 20 0 DEADHO Cn1cc([C@H](N[C@H]2CC[C@H](C[NH3+])C2)c2cccc(F)c2)cn1 ZINC000579825504 357036743 /nfs/dbraw/zinc/03/67/43/357036743.db2.gz IWIQMEJDBLEIKY-AFAVFJNCSA-N 1 3 302.397 2.366 20 0 DEADHO O[C@H](CNC1CC[NH+](C2CC2)CC1)COc1ccc(Cl)cc1 ZINC000580769038 357078098 /nfs/dbraw/zinc/07/80/98/357078098.db2.gz FROAICUNYZCDAT-MRXNPFEDSA-N 1 3 324.852 2.296 20 0 DEADHO O[C@@H](C[NH2+]CC1CCN(c2ccncc2)CC1)CC(F)(F)F ZINC000581365474 357174495 /nfs/dbraw/zinc/17/44/95/357174495.db2.gz SWJULRQKOBSRBM-CQSZACIVSA-N 1 3 317.355 2.201 20 0 DEADHO C[C@@](O)(C[NH2+]CC1CCN(c2ccncc2)CC1)C(F)(F)F ZINC000581305311 357163820 /nfs/dbraw/zinc/16/38/20/357163820.db2.gz CFDFEGJVAXULIX-CQSZACIVSA-N 1 3 317.355 2.201 20 0 DEADHO N[C@@H]1Cc2ccccc2N(C(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000581365010 357174303 /nfs/dbraw/zinc/17/43/03/357174303.db2.gz ZMSQBKHZHNMGME-SJORKVTESA-N 1 3 309.413 2.383 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](C)C[C@@H]3C)CC2)CC1 ZINC000581378587 357177869 /nfs/dbraw/zinc/17/78/69/357177869.db2.gz NYMOCZUYYWLRIJ-HOTGVXAUSA-N 1 3 321.509 2.440 20 0 DEADHO Cc1cccc(CCNCC(=O)NCC[NH+]2CCCCCC2)c1 ZINC000449340932 283272582 /nfs/dbraw/zinc/27/25/82/283272582.db2.gz RJBHEJANUKDVKB-UHFFFAOYSA-N 1 3 317.477 2.119 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000449346657 283274106 /nfs/dbraw/zinc/27/41/06/283274106.db2.gz OLSHAOSYXMBBSB-IJEWVQPXSA-N 1 3 303.450 2.088 20 0 DEADHO C[C@H]1CN(CCOCC2CCCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000459366643 283299334 /nfs/dbraw/zinc/29/93/34/283299334.db2.gz CWOITZUNOOEDQS-PKOBYXMFSA-N 1 3 323.525 2.151 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc3nccn32)C[C@H](C)O1 ZINC000179596761 199061227 /nfs/dbraw/zinc/06/12/27/199061227.db2.gz OTACPXXHLBIZTM-IYBDPMFKSA-N 1 3 316.449 2.313 20 0 DEADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000661954271 540324676 /nfs/dbraw/zinc/32/46/76/540324676.db2.gz JDVYYTLSDYEBMG-DLBZAZTESA-N 1 3 318.465 2.073 20 0 DEADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000661954271 540324679 /nfs/dbraw/zinc/32/46/79/540324679.db2.gz JDVYYTLSDYEBMG-DLBZAZTESA-N 1 3 318.465 2.073 20 0 DEADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000662685975 540332976 /nfs/dbraw/zinc/33/29/76/540332976.db2.gz JKBZHKKIPBGJSV-JKSUJKDBSA-N 1 3 319.449 2.310 20 0 DEADHO CCN(C(=O)NCC1(C[NH+](C)C)CCCC1)[C@H]1CCN(CC)C1 ZINC000664662842 540347485 /nfs/dbraw/zinc/34/74/85/540347485.db2.gz QLGDFGBXQZCPED-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO CCC[N@H+](C)CC(C)(C)NC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000665270002 540349632 /nfs/dbraw/zinc/34/96/32/540349632.db2.gz QHWWCWWOSPIGBO-HZPDHXFCSA-N 1 3 324.513 2.423 20 0 DEADHO CCC[N@@H+](C)CC(C)(C)NC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000665270002 540349634 /nfs/dbraw/zinc/34/96/34/540349634.db2.gz QHWWCWWOSPIGBO-HZPDHXFCSA-N 1 3 324.513 2.423 20 0 DEADHO COC(=O)COc1ccc(CN2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1 ZINC000593317218 358053283 /nfs/dbraw/zinc/05/32/83/358053283.db2.gz SJADISXSCZXCTJ-PBHICJAKSA-N 1 3 320.433 2.188 20 0 DEADHO CCCN1CC[C@@H](NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC000666928551 540365558 /nfs/dbraw/zinc/36/55/58/540365558.db2.gz NZYPHTHHMUQTPE-QGZVFWFLSA-N 1 3 324.513 2.233 20 0 DEADHO CCCN1CC[C@@H](NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)C1 ZINC000666928551 540365559 /nfs/dbraw/zinc/36/55/59/540365559.db2.gz NZYPHTHHMUQTPE-QGZVFWFLSA-N 1 3 324.513 2.233 20 0 DEADHO COc1cc2c(c(CN[C@H]3CC34CC[NH2+]CC4)c1)O[C@H](C)C2 ZINC000666952392 540369475 /nfs/dbraw/zinc/36/94/75/540369475.db2.gz UWVSREYBYJVGJV-WBMJQRKESA-N 1 3 302.418 2.250 20 0 DEADHO COc1cc2c(c(CN[C@@H]3CC34CC[NH2+]CC4)c1)O[C@@H](C)C2 ZINC000666952389 540369628 /nfs/dbraw/zinc/36/96/28/540369628.db2.gz UWVSREYBYJVGJV-BLLLJJGKSA-N 1 3 302.418 2.250 20 0 DEADHO COC(=O)c1ccccc1OCCN1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000593730836 358132875 /nfs/dbraw/zinc/13/28/75/358132875.db2.gz ICKHRCKZAQILRK-ZBFHGGJFSA-N 1 3 320.433 2.301 20 0 DEADHO CN(C(=O)C1CC[NH2+]CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000237291632 202219869 /nfs/dbraw/zinc/21/98/69/202219869.db2.gz RBWHJRNPAKZIJS-SFHVURJKSA-N 1 3 315.461 2.109 20 0 DEADHO CCC[NH2+][C@@H](C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000294869000 283395805 /nfs/dbraw/zinc/39/58/05/283395805.db2.gz WNQMRUSKCKEIDN-DOTOQJQBSA-N 1 3 303.450 2.328 20 0 DEADHO NCc1cccc(NC(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000667730813 540515976 /nfs/dbraw/zinc/51/59/76/540515976.db2.gz BHTVGFDSDIJAIF-UHFFFAOYSA-N 1 3 302.422 2.141 20 0 DEADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000186873575 200025474 /nfs/dbraw/zinc/02/54/74/200025474.db2.gz GYZFEPCWWITBGQ-WMLDXEAASA-N 1 3 301.434 2.010 20 0 DEADHO COCCc1ccc(OC[C@H](C)[NH2+]CC2=CCN(C)CC2)cc1 ZINC000667924150 540550598 /nfs/dbraw/zinc/55/05/98/540550598.db2.gz GQVUZUYIXDUBDB-INIZCTEOSA-N 1 3 318.461 2.494 20 0 DEADHO CN1CCC(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)(N2CCCCC2)CC1 ZINC000667880670 540544071 /nfs/dbraw/zinc/54/40/71/540544071.db2.gz XUOZQUWYIYPWDX-ZWKOTPCHSA-N 1 3 321.509 2.094 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H](C)Cc2ccccc2F)CC1 ZINC000187766001 200154218 /nfs/dbraw/zinc/15/42/18/200154218.db2.gz ZDKLAVOFFNJFRC-INIZCTEOSA-N 1 3 307.457 2.374 20 0 DEADHO C[C@@H](Cc1ccccc1F)[NH2+]CCCN1CCCN(C)CC1 ZINC000187968092 200184757 /nfs/dbraw/zinc/18/47/57/200184757.db2.gz KYUARYVFIPZYQL-INIZCTEOSA-N 1 3 307.457 2.374 20 0 DEADHO C[C@@H]1CCC[C@@](CNC(=O)[C@@H](N)Cc2ccccc2)([NH+](C)C)C1 ZINC000237597837 202298190 /nfs/dbraw/zinc/29/81/90/202298190.db2.gz PVABZRLGWMRYDV-HHXXYDBFSA-N 1 3 317.477 2.183 20 0 DEADHO CC[C@@H]1CN(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC[C@@H]1[NH3+] ZINC000668562697 540689387 /nfs/dbraw/zinc/68/93/87/540689387.db2.gz PYOWECCKCMDTHD-PVAVHDDUSA-N 1 3 318.465 2.058 20 0 DEADHO FC(F)(F)c1cc(CNCC2CC[NH+](C3CC3)CC2)[nH]n1 ZINC000441338771 238020030 /nfs/dbraw/zinc/02/00/30/238020030.db2.gz XHAZVBNTFSUUBK-UHFFFAOYSA-N 1 3 302.344 2.393 20 0 DEADHO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)N1CCC[C@H](CC[NH3+])C1 ZINC000443065316 238100746 /nfs/dbraw/zinc/10/07/46/238100746.db2.gz ZORGBSNYNOWHQE-BRWVUGGUSA-N 1 3 317.477 2.356 20 0 DEADHO C[NH+](C)CCC(=O)N[C@@H]1CC[C@H](CNC/C(Cl)=C\Cl)C1 ZINC001369416859 1148960810 /nfs/dbraw/zinc/96/08/10/1148960810.db2.gz HLKUKTYLIDJIHJ-NUBPSFNZSA-N 1 3 322.280 2.132 20 0 DEADHO CC(C)([NH3+])CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669483764 540841850 /nfs/dbraw/zinc/84/18/50/540841850.db2.gz LRYIUPLMZCRXCI-INIZCTEOSA-N 1 3 318.465 2.250 20 0 DEADHO C[C@@H](CC[NH3+])NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669483727 540842100 /nfs/dbraw/zinc/84/21/00/540842100.db2.gz KALZCEZDNDRXPJ-RDJZCZTQSA-N 1 3 318.465 2.250 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H]1CCCC[NH2+]1)c1ccco1 ZINC000669584155 540869412 /nfs/dbraw/zinc/86/94/12/540869412.db2.gz SMLSZFWUTJTPOO-ZNMIVQPWSA-N 1 3 322.453 2.150 20 0 DEADHO CN1CCN(CC[NH2+][C@@H]2CCCc3cccnc32)CC1(C)C ZINC000669618835 540874426 /nfs/dbraw/zinc/87/44/26/540874426.db2.gz NHIQWYGGTWLTNN-MRXNPFEDSA-N 1 3 302.466 2.075 20 0 DEADHO COCC[N@H+](C)CCCC1CCN(Cc2ccnc(N)c2)CC1 ZINC000193460242 201055096 /nfs/dbraw/zinc/05/50/96/201055096.db2.gz STGAMKMZGTYESU-UHFFFAOYSA-N 1 3 320.481 2.234 20 0 DEADHO COCC[N@@H+](C)CCCC1CCN(Cc2ccnc(N)c2)CC1 ZINC000193460242 201055097 /nfs/dbraw/zinc/05/50/97/201055097.db2.gz STGAMKMZGTYESU-UHFFFAOYSA-N 1 3 320.481 2.234 20 0 DEADHO C[C@@H](NC(=O)C12CCCN1CCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000367967344 296041052 /nfs/dbraw/zinc/04/10/52/296041052.db2.gz UOHUDRADHMMMSM-HZPDHXFCSA-N 1 3 319.493 2.384 20 0 DEADHO C[C@@H](NC(=O)C12CCCN1CCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000367967344 296041053 /nfs/dbraw/zinc/04/10/53/296041053.db2.gz UOHUDRADHMMMSM-HZPDHXFCSA-N 1 3 319.493 2.384 20 0 DEADHO CO[C@@H]1CCC[C@H](NCc2ccncc2OCCC[NH+](C)C)C1 ZINC000673852067 541151130 /nfs/dbraw/zinc/15/11/30/541151130.db2.gz ZZXUNUOWZZRPDI-DLBZAZTESA-N 1 3 321.465 2.459 20 0 DEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NCC1([NH+](C)C)CCCC1 ZINC000447961259 239187142 /nfs/dbraw/zinc/18/71/42/239187142.db2.gz GLRXMFOBANIDDA-OAHLLOKOSA-N 1 3 324.513 2.280 20 0 DEADHO CCOc1cncc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000621336813 364358430 /nfs/dbraw/zinc/35/84/30/364358430.db2.gz AAJRERDNVDVTPI-HOTGVXAUSA-N 1 3 321.465 2.459 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@@H](CC[NH3+])C2)c1 ZINC000623057135 364871262 /nfs/dbraw/zinc/87/12/62/364871262.db2.gz AYGHBAPUJHNTQX-AWEZNQCLSA-N 1 3 304.438 2.341 20 0 DEADHO CN(C)CCN(C)CCC[NH2+]C/C=C/c1ccc(F)cc1F ZINC000623087666 364879369 /nfs/dbraw/zinc/87/93/69/364879369.db2.gz BMGUWEWCWVKCSP-GQCTYLIASA-N 1 3 311.420 2.451 20 0 DEADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](C)NC2CC2)CC1 ZINC000449129246 240090041 /nfs/dbraw/zinc/09/00/41/240090041.db2.gz URMSVBQRNBEFFV-LSDHHAIUSA-N 1 3 315.461 2.469 20 0 DEADHO NC(=O)[C@H]1CCCN(CCC[NH2+]Cc2cccc3ccoc32)C1 ZINC000449133236 240096376 /nfs/dbraw/zinc/09/63/76/240096376.db2.gz CUGUJOVNMQKNQF-INIZCTEOSA-N 1 3 315.417 2.110 20 0 DEADHO CN1CCCC[C@@H](C[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)C1 ZINC000623655809 365119920 /nfs/dbraw/zinc/11/99/20/365119920.db2.gz GBDABOLWSWYGBK-INIZCTEOSA-N 1 3 315.461 2.400 20 0 DEADHO C[NH+](C)CCN1CCC(N[C@@H]2CCCc3scnc32)CC1 ZINC000623860264 365201683 /nfs/dbraw/zinc/20/16/83/365201683.db2.gz PNBJESJZLUFAHS-CQSZACIVSA-N 1 3 308.495 2.136 20 0 DEADHO C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121336 365295985 /nfs/dbraw/zinc/29/59/85/365295985.db2.gz UEPLABAFRYQUMS-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@H](CC(=O)N1CCCCCC1)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624121336 365295987 /nfs/dbraw/zinc/29/59/87/365295987.db2.gz UEPLABAFRYQUMS-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@H](CC(=O)N1CCCCCC1)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624121336 365295989 /nfs/dbraw/zinc/29/59/89/365295989.db2.gz UEPLABAFRYQUMS-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CCN1CCC(F)(F)F ZINC001422134868 1172332291 /nfs/dbraw/zinc/33/22/91/1172332291.db2.gz WSVDFVDSJFCKID-OLZOCXBDSA-N 1 3 323.403 2.250 20 0 DEADHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000449816531 241113825 /nfs/dbraw/zinc/11/38/25/241113825.db2.gz XZTFRRZSYNTUBR-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000449816531 241113834 /nfs/dbraw/zinc/11/38/34/241113834.db2.gz XZTFRRZSYNTUBR-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000629520640 367233391 /nfs/dbraw/zinc/23/33/91/367233391.db2.gz XCYASXXBAVCHQZ-RISCZKNCSA-N 1 3 312.408 2.229 20 0 DEADHO CC(C)(C)c1ccccc1OCC[NH2+]C[C@@H](O)CN1CCCC1 ZINC000629563772 367253533 /nfs/dbraw/zinc/25/35/33/367253533.db2.gz RBELBHJVGVKIDB-MRXNPFEDSA-N 1 3 320.477 2.409 20 0 DEADHO Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000629564932 367254504 /nfs/dbraw/zinc/25/45/04/367254504.db2.gz LYLHCEOHISRLMF-FHWLQOOXSA-N 1 3 318.461 2.261 20 0 DEADHO CC[C@H](C[NH2+]C[C@@H](O)CN1CCCC1)Oc1ccccc1C ZINC000629568667 367255508 /nfs/dbraw/zinc/25/55/08/367255508.db2.gz SOFHFZNRVJLRQA-IAGOWNOFSA-N 1 3 306.450 2.199 20 0 DEADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)Cc1ccccc1 ZINC000629959647 367400475 /nfs/dbraw/zinc/40/04/75/367400475.db2.gz HRSIIOIPGHPTKE-HNNXBMFYSA-N 1 3 303.450 2.107 20 0 DEADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)Cc1ccccc1 ZINC000629959647 367400478 /nfs/dbraw/zinc/40/04/78/367400478.db2.gz HRSIIOIPGHPTKE-HNNXBMFYSA-N 1 3 303.450 2.107 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)N(C)Cc2ccccc2)CC[N@@H+]1C ZINC000631222818 368088009 /nfs/dbraw/zinc/08/80/09/368088009.db2.gz VBSNGGIHGMAGPJ-RYQLBKOJSA-N 1 3 317.477 2.353 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)N(C)Cc2ccccc2)CC[N@H+]1C ZINC000631222818 368088019 /nfs/dbraw/zinc/08/80/19/368088019.db2.gz VBSNGGIHGMAGPJ-RYQLBKOJSA-N 1 3 317.477 2.353 20 0 DEADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccccc1N(C)C ZINC000093942169 296115086 /nfs/dbraw/zinc/11/50/86/296115086.db2.gz JUPPHAYITYWBJW-MRXNPFEDSA-N 1 3 318.509 2.429 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+](CCO)C2CCCC2)cc1 ZINC000678120745 541680382 /nfs/dbraw/zinc/68/03/82/541680382.db2.gz ZRMLPIPUQHTKLH-UHFFFAOYSA-N 1 3 306.450 2.364 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+](CCO)C2CCCC2)cc1 ZINC000678120745 541680384 /nfs/dbraw/zinc/68/03/84/541680384.db2.gz ZRMLPIPUQHTKLH-UHFFFAOYSA-N 1 3 306.450 2.364 20 0 DEADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccccc2-n2cncn2)[C@H](C)C1 ZINC000678278077 541705215 /nfs/dbraw/zinc/70/52/15/541705215.db2.gz SYTIOBMYQVQWPT-NVXWUHKLSA-N 1 3 313.449 2.429 20 0 DEADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccccc2-n2cncn2)[C@H](C)C1 ZINC000678278077 541705220 /nfs/dbraw/zinc/70/52/20/541705220.db2.gz SYTIOBMYQVQWPT-NVXWUHKLSA-N 1 3 313.449 2.429 20 0 DEADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000275126231 212137298 /nfs/dbraw/zinc/13/72/98/212137298.db2.gz LGLSLCGKWITXFF-YJBOKZPZSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])CN1Cc1ccccc1 ZINC000261724785 203103100 /nfs/dbraw/zinc/10/31/00/203103100.db2.gz KKNCJINSFDNNOR-LAVFITLUSA-N 1 3 315.461 2.283 20 0 DEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261748072 203107675 /nfs/dbraw/zinc/10/76/75/203107675.db2.gz IUQXVIFFULGZCN-NVXWUHKLSA-N 1 3 321.440 2.091 20 0 DEADHO COCOc1ccc(OC)cc1CN(C)CC1CC[NH+](C)CC1 ZINC000093089181 193202256 /nfs/dbraw/zinc/20/22/56/193202256.db2.gz JXVNLLYZGUAZEH-UHFFFAOYSA-N 1 3 322.449 2.452 20 0 DEADHO C[C@@H]([NH2+][C@H](CO)CC1CC1)c1ccc(OCCN(C)C)cc1 ZINC000678607578 541750535 /nfs/dbraw/zinc/75/05/35/541750535.db2.gz QUFTXAIMFBNODP-PBHICJAKSA-N 1 3 306.450 2.439 20 0 DEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000262369193 203275378 /nfs/dbraw/zinc/27/53/78/203275378.db2.gz LMBAJKSFYLGRIB-DOTOQJQBSA-N 1 3 321.440 2.233 20 0 DEADHO CN(C)CCN(Cc1ccccc1F)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262351639 203270713 /nfs/dbraw/zinc/27/07/13/203270713.db2.gz JEAAQUMFLFJRNR-HOCLYGCPSA-N 1 3 321.440 2.233 20 0 DEADHO CN(C)C[C@H](NC(=O)C[C@@H]1CCCC[C@H]1[NH3+])c1ccccc1 ZINC000262501157 203311512 /nfs/dbraw/zinc/31/15/12/203311512.db2.gz MAJPEQOWAGSIRM-BBWFWOEESA-N 1 3 303.450 2.313 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)[C@H]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000262651635 203366201 /nfs/dbraw/zinc/36/62/01/203366201.db2.gz RGQXLYAYIXFXIF-BPUTZDHNSA-N 1 3 303.450 2.359 20 0 DEADHO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000678939480 541787315 /nfs/dbraw/zinc/78/73/15/541787315.db2.gz NAKCHIQCOUTNNV-KXBFYZLASA-N 1 3 317.477 2.199 20 0 DEADHO CCCN1CCC([NH2+][C@H](C)C(=O)NCCc2ccccc2)CC1 ZINC000453424394 245127136 /nfs/dbraw/zinc/12/71/36/245127136.db2.gz GLCAVMWACNKWQU-MRXNPFEDSA-N 1 3 317.477 2.198 20 0 DEADHO C[NH+](C)CCOc1ccc(CCNCc2ccc(CO)o2)cc1 ZINC000266216067 205191354 /nfs/dbraw/zinc/19/13/54/205191354.db2.gz PQFXINHVQJOMBB-UHFFFAOYSA-N 1 3 318.417 2.045 20 0 DEADHO O=C1[C@H](N2CCC([C@H]3CCC[NH2+]3)CC2)CCN1C1CCCCC1 ZINC000530226071 284378839 /nfs/dbraw/zinc/37/88/39/284378839.db2.gz VUAOPIMTTUBYQA-QZTJIDSGSA-N 1 3 319.493 2.384 20 0 DEADHO COc1ccccc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530248692 284385528 /nfs/dbraw/zinc/38/55/28/284385528.db2.gz OFVUYXCSJHBGCO-QGZVFWFLSA-N 1 3 304.434 2.286 20 0 DEADHO C[C@H](CNC(=O)NC(C)(C)C[NH+]1CCCC1)N1CCC(C)CC1 ZINC000458042670 248123431 /nfs/dbraw/zinc/12/34/31/248123431.db2.gz FWYDQDVJLCRKJF-MRXNPFEDSA-N 1 3 324.513 2.280 20 0 DEADHO N[C@@H]1CCC[C@H]([NH2+]CCCNC(=O)/C=C/c2ccccc2)C1 ZINC000493193147 249245576 /nfs/dbraw/zinc/24/55/76/249245576.db2.gz SGBCMETWAGDNIV-IYWWOYPTSA-N 1 3 301.434 2.066 20 0 DEADHO O=C(/C=C\c1ccccc1)NCCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000493711634 249370628 /nfs/dbraw/zinc/37/06/28/249370628.db2.gz DOFKDJVBCXDSJW-QENLYCQESA-N 1 3 313.445 2.079 20 0 DEADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCNC(=O)CC1 ZINC000450758076 284691185 /nfs/dbraw/zinc/69/11/85/284691185.db2.gz NLRKNNIDPFHTPS-IXDOHACOSA-N 1 3 309.498 2.393 20 0 DEADHO CC[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc2c(c1)CCO2 ZINC000268996112 207154250 /nfs/dbraw/zinc/15/42/50/207154250.db2.gz NUMXQLCJFATBLF-INIZCTEOSA-N 1 3 304.434 2.119 20 0 DEADHO C[C@H](CNC(=O)C1CCN(Cc2ccccc2)CC1)C[NH+](C)C ZINC000294393499 224007958 /nfs/dbraw/zinc/00/79/58/224007958.db2.gz WQLKFOBZRKLTGK-MRXNPFEDSA-N 1 3 317.477 2.213 20 0 DEADHO CN1CCC(C[N@H+](C)Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000537636991 285009173 /nfs/dbraw/zinc/00/91/73/285009173.db2.gz AIWCDWCZDVMZBR-UHFFFAOYSA-N 1 3 317.412 2.180 20 0 DEADHO CN1CCC(C[N@@H+](C)Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000537636991 285009175 /nfs/dbraw/zinc/00/91/75/285009175.db2.gz AIWCDWCZDVMZBR-UHFFFAOYSA-N 1 3 317.412 2.180 20 0 DEADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H](C)NC1CC1 ZINC000294946607 285099151 /nfs/dbraw/zinc/09/91/51/285099151.db2.gz FBJMSPDZIDSRTO-CQSZACIVSA-N 1 3 303.450 2.237 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)N(CCN(C)C)C(C)C)CC1 ZINC000159220248 197337288 /nfs/dbraw/zinc/33/72/88/197337288.db2.gz QATWOHNUQNMTEK-UHFFFAOYSA-N 1 3 312.502 2.090 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000158617298 197289056 /nfs/dbraw/zinc/28/90/56/197289056.db2.gz RXKYQLVEJMZZAX-UHFFFAOYSA-N 1 3 322.497 2.177 20 0 DEADHO CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000157171504 197167212 /nfs/dbraw/zinc/16/72/12/197167212.db2.gz KPJDXMRZIIGCJN-KRWDZBQOSA-N 1 3 320.481 2.271 20 0 DEADHO COc1cc2nccc(NCC(C)(C)[NH+](C)C)c2cc1OC ZINC000413026156 533146273 /nfs/dbraw/zinc/14/62/73/533146273.db2.gz IOBHNPFLZHBGNZ-UHFFFAOYSA-N 1 3 303.406 2.426 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000155315689 197043092 /nfs/dbraw/zinc/04/30/92/197043092.db2.gz XBRCQGINUHPSIV-MSOLQXFVSA-N 1 3 315.461 2.305 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000155315689 197043093 /nfs/dbraw/zinc/04/30/93/197043093.db2.gz XBRCQGINUHPSIV-MSOLQXFVSA-N 1 3 315.461 2.305 20 0 DEADHO C[C@@]1(C(=O)N[C@H](CN)c2ccc3ccccc3c2)CCC[NH2+]C1 ZINC000294736285 224201211 /nfs/dbraw/zinc/20/12/11/224201211.db2.gz DQKDOIDQFNKGEP-IEBWSBKVSA-N 1 3 311.429 2.346 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@@]1(C)CC ZINC000342574954 285247802 /nfs/dbraw/zinc/24/78/02/285247802.db2.gz QYXOMIBVEUFGMJ-SOLBZPMBSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@@]1(C)CC ZINC000342574954 285247805 /nfs/dbraw/zinc/24/78/05/285247805.db2.gz QYXOMIBVEUFGMJ-SOLBZPMBSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccccc1C ZINC000346631590 285280917 /nfs/dbraw/zinc/28/09/17/285280917.db2.gz YQKNWRKSZNEUDP-KRWDZBQOSA-N 1 3 317.477 2.483 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccccc1C ZINC000346631590 285280921 /nfs/dbraw/zinc/28/09/21/285280921.db2.gz YQKNWRKSZNEUDP-KRWDZBQOSA-N 1 3 317.477 2.483 20 0 DEADHO COc1ccc(-n2ccc(CN[C@@H](C)CCCC[NH3+])n2)cc1 ZINC000422936358 533215619 /nfs/dbraw/zinc/21/56/19/533215619.db2.gz BKZBPPBBLPJKTH-AWEZNQCLSA-N 1 3 302.422 2.488 20 0 DEADHO CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000544875702 285380232 /nfs/dbraw/zinc/38/02/32/285380232.db2.gz LHTWFVALFPZKBT-QZTJIDSGSA-N 1 3 315.461 2.061 20 0 DEADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000544875702 285380233 /nfs/dbraw/zinc/38/02/33/285380233.db2.gz LHTWFVALFPZKBT-QZTJIDSGSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@@H](NC1CC1)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000296171479 533335413 /nfs/dbraw/zinc/33/54/13/533335413.db2.gz XHGATOOZPPBQOB-CQSZACIVSA-N 1 3 301.434 2.404 20 0 DEADHO C[C@@H](NC(C)(C)CNC(=O)NC[C@@H](C)C[NH3+])c1ccccc1 ZINC000417710074 533322605 /nfs/dbraw/zinc/32/26/05/533322605.db2.gz UGXWIRQSALEFDC-UONOGXRCSA-N 1 3 306.454 2.010 20 0 DEADHO C[C@@H]([NH2+]C1CC1)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000295614826 533331782 /nfs/dbraw/zinc/33/17/82/533331782.db2.gz GNGAAMQNWBMXII-CYBMUJFWSA-N 1 3 323.868 2.371 20 0 DEADHO COc1cccc(N2CC[C@@H]([NH2+][C@H](C)[C@@H]3CCCCN3)C2)c1 ZINC000422701479 533582853 /nfs/dbraw/zinc/58/28/53/533582853.db2.gz BZSDGDTUXJFEPO-RKVPGOIHSA-N 1 3 303.450 2.394 20 0 DEADHO C[C@@H](CCC[NH3+])NC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418501565 533551115 /nfs/dbraw/zinc/55/11/15/533551115.db2.gz RGURGQNWLAYLQN-GUYCJALGSA-N 1 3 314.433 2.266 20 0 DEADHO C[C@@H](CCNC(=O)NC[C@@H](N)c1ccccc1)[NH+]1CCCCC1 ZINC000418022467 533600588 /nfs/dbraw/zinc/60/05/88/533600588.db2.gz RDNNZUXUOWBGPP-DOTOQJQBSA-N 1 3 318.465 2.250 20 0 DEADHO COC(=O)COc1ccc(CN2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1 ZINC000422565318 533558660 /nfs/dbraw/zinc/55/86/60/533558660.db2.gz YIPHMULHEDNXDH-FMKPAKJESA-N 1 3 320.433 2.044 20 0 DEADHO C[C@H]1CCNC[C@@H]1[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000422969373 533670980 /nfs/dbraw/zinc/67/09/80/533670980.db2.gz UGWJVRKEGCCONA-KXBFYZLASA-N 1 3 318.461 2.470 20 0 DEADHO C[C@H]1CC[NH2+]C[C@@H]1NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000423098919 533671281 /nfs/dbraw/zinc/67/12/81/533671281.db2.gz DKFUYCKYECMMHX-KXBFYZLASA-N 1 3 317.477 2.247 20 0 DEADHO CN1CCN(CC[NH2+]Cc2cccc3cnccc32)CC1(C)C ZINC000685043223 542702757 /nfs/dbraw/zinc/70/27/57/542702757.db2.gz SECIDWCLYHYWLE-UHFFFAOYSA-N 1 3 312.461 2.350 20 0 DEADHO CN1CCC(N2CC[C@@H]([NH2+]CC3Cc4ccccc4C3)C2)CC1 ZINC000685841397 542759146 /nfs/dbraw/zinc/75/91/46/542759146.db2.gz RXXOXHIUYNMTJB-LJQANCHMSA-N 1 3 313.489 2.160 20 0 DEADHO CCc1cc(N2CCC(N[C@@H](C)C[C@H]3CCC[NH2+]3)CC2)ncn1 ZINC000562747884 292008513 /nfs/dbraw/zinc/00/85/13/292008513.db2.gz KBEYDEJUWYHRMJ-WMLDXEAASA-N 1 3 317.481 2.128 20 0 DEADHO CC(C)Cn1cc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cn1 ZINC000562751400 292008771 /nfs/dbraw/zinc/00/87/71/292008771.db2.gz QYXFLZBOWPJLRU-MSOLQXFVSA-N 1 3 320.481 2.257 20 0 DEADHO COC(=O)c1ccc(CN2CCC(OCC[NH+](C)C)CC2)cc1 ZINC000353525520 132981866 /nfs/dbraw/zinc/98/18/66/132981866.db2.gz GTBMFRBZOIFXET-UHFFFAOYSA-N 1 3 320.433 2.016 20 0 DEADHO CCCN1CCC([NH2+]CC(C)(C)N2CCC(OC)CC2)CC1 ZINC000360238965 133170788 /nfs/dbraw/zinc/17/07/88/133170788.db2.gz PTDQPRYGXYKHTQ-UHFFFAOYSA-N 1 3 311.514 2.340 20 0 DEADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000362403737 133228204 /nfs/dbraw/zinc/22/82/04/133228204.db2.gz QCBLIPDHBYMKFH-UHFFFAOYSA-N 1 3 315.461 2.063 20 0 DEADHO C[C@H]1C[C@H](NC(=O)N2CCN(C3CCCCC3)CC2)CC[N@@H+]1C ZINC000362723645 133247844 /nfs/dbraw/zinc/24/78/44/133247844.db2.gz NIJZIAIYHGXISE-JKSUJKDBSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H]1C[C@H](NC(=O)N2CCN(C3CCCCC3)CC2)CC[N@H+]1C ZINC000362723645 133247845 /nfs/dbraw/zinc/24/78/45/133247845.db2.gz NIJZIAIYHGXISE-JKSUJKDBSA-N 1 3 322.497 2.129 20 0 DEADHO CC[C@@H](C(=O)N1CCC(C)([NH2+]CC[C@@H](C)F)CC1)N(C)C ZINC001368660267 1148557874 /nfs/dbraw/zinc/55/78/74/1148557874.db2.gz XFNYNMGVVMIGMG-KGLIPLIRSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000247033442 145124447 /nfs/dbraw/zinc/12/44/47/145124447.db2.gz RECZERHAMNSLJA-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000247033442 145124448 /nfs/dbraw/zinc/12/44/48/145124448.db2.gz RECZERHAMNSLJA-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000249010733 145176116 /nfs/dbraw/zinc/17/61/16/145176116.db2.gz JKXBBCKRWYIBCE-XPCVCDNBSA-N 1 3 309.479 2.231 20 0 DEADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)CC1CC[NH2+]CC1 ZINC000261541152 145205826 /nfs/dbraw/zinc/20/58/26/145205826.db2.gz FRBYVZRVADUKBM-HNNXBMFYSA-N 1 3 303.450 2.013 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000261404233 145205868 /nfs/dbraw/zinc/20/58/68/145205868.db2.gz ODULNNCTYRTPKE-DOTOQJQBSA-N 1 3 324.513 2.423 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000261404233 145205870 /nfs/dbraw/zinc/20/58/70/145205870.db2.gz ODULNNCTYRTPKE-DOTOQJQBSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H](NC(=O)C1(N)CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261557594 145207902 /nfs/dbraw/zinc/20/79/02/145207902.db2.gz XNOUFLZMWBEJTH-WBVHZDCISA-N 1 3 315.461 2.285 20 0 DEADHO C[C@@H](NC(=O)C1(N)CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261557594 145207904 /nfs/dbraw/zinc/20/79/04/145207904.db2.gz XNOUFLZMWBEJTH-WBVHZDCISA-N 1 3 315.461 2.285 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261638314 145212447 /nfs/dbraw/zinc/21/24/47/145212447.db2.gz FNFVGJKPWGUFEM-ATLSCFEFSA-N 1 3 315.461 2.060 20 0 DEADHO [NH3+][C@@H]1CC[C@H]2CN(CCC(=O)Nc3cccc(Cl)c3)C[C@@H]12 ZINC000261733416 145221246 /nfs/dbraw/zinc/22/12/46/145221246.db2.gz RJQBRXJNVOGSND-NILFDRSVSA-N 1 3 307.825 2.338 20 0 DEADHO CN(C)C[C@@H](NC(=O)c1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000261825665 145231374 /nfs/dbraw/zinc/23/13/74/145231374.db2.gz HPUOKHUYXXYYJI-GOSISDBHSA-N 1 3 309.413 2.323 20 0 DEADHO C[C@H]([NH3+])C1CCN(CC(=O)N2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC000261858088 145234584 /nfs/dbraw/zinc/23/45/84/145234584.db2.gz FKZSSOXWIKVNRL-BHYGNILZSA-N 1 3 307.482 2.227 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000261896188 145238662 /nfs/dbraw/zinc/23/86/62/145238662.db2.gz UMFJXNWUISFUCP-NUJGCVRESA-N 1 3 315.461 2.328 20 0 DEADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1oc2ccccc2c1CN(C)C ZINC000261901042 145239132 /nfs/dbraw/zinc/23/91/32/145239132.db2.gz WSONFHVGZKQQOL-OLZOCXBDSA-N 1 3 315.417 2.304 20 0 DEADHO COC(=O)c1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000262005855 145252017 /nfs/dbraw/zinc/25/20/17/145252017.db2.gz VVIAXVLFXSMIID-KRWDZBQOSA-N 1 3 302.418 2.437 20 0 DEADHO O=C(Nc1ccc(F)cc1)C1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000262023512 145253748 /nfs/dbraw/zinc/25/37/48/145253748.db2.gz WLLVBBYAVZDMIL-CQSZACIVSA-N 1 3 319.424 2.476 20 0 DEADHO C[NH2+]CCC1CCN(Cc2cc3c(c(OC)c2)OCO3)CC1 ZINC000262042993 145256282 /nfs/dbraw/zinc/25/62/82/145256282.db2.gz CBYJKZBUIBIXDH-UHFFFAOYSA-N 1 3 306.406 2.245 20 0 DEADHO C[C@H](CC(=O)NC[C@H]1NCCc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000262302597 145274989 /nfs/dbraw/zinc/27/49/89/145274989.db2.gz BQAZBWHBDPDPSN-UWWQBHOKSA-N 1 3 315.461 2.015 20 0 DEADHO CCC[C@](C)(N)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000262329363 145277227 /nfs/dbraw/zinc/27/72/27/145277227.db2.gz UVDWVNBWRPTVLM-SFHVURJKSA-N 1 3 303.450 2.416 20 0 DEADHO O=C(CNCC1CC1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000262671502 145299021 /nfs/dbraw/zinc/29/90/21/145299021.db2.gz RTTXBEVRFGZYFP-UHFFFAOYSA-N 1 3 307.482 2.101 20 0 DEADHO O=C(CNCC1CC1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000262671502 145299022 /nfs/dbraw/zinc/29/90/22/145299022.db2.gz RTTXBEVRFGZYFP-UHFFFAOYSA-N 1 3 307.482 2.101 20 0 DEADHO C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)COC[C@@H]1CCCO1 ZINC000316121029 145362250 /nfs/dbraw/zinc/36/22/50/145362250.db2.gz LPAVTXSKFMELCZ-WNRNVDISSA-N 1 3 310.482 2.473 20 0 DEADHO Cn1cc(CCN2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000336729425 145397390 /nfs/dbraw/zinc/39/73/90/145397390.db2.gz XJYYNRKPSSUESK-WOJBJXKFSA-N 1 3 324.472 2.417 20 0 DEADHO Cn1cc(CCN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000336729425 145397392 /nfs/dbraw/zinc/39/73/92/145397392.db2.gz XJYYNRKPSSUESK-WOJBJXKFSA-N 1 3 324.472 2.417 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000342700569 145660243 /nfs/dbraw/zinc/66/02/43/145660243.db2.gz IECOJRCYFLPWCL-JQHSSLGASA-N 1 3 315.461 2.328 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]CC[C@H]2CCCN2C)[C@H](C)C1 ZINC000346605965 146109284 /nfs/dbraw/zinc/10/92/84/146109284.db2.gz JEBYWIBYZJJNLQ-KURKYZTESA-N 1 3 311.514 2.197 20 0 DEADHO C[NH2+]CCC1CCN(Cc2cn(-c3ccncc3)nc2C)CC1 ZINC000346693579 146125324 /nfs/dbraw/zinc/12/53/24/146125324.db2.gz OCKDKUYDZZVANV-UHFFFAOYSA-N 1 3 313.449 2.397 20 0 DEADHO Cc1cccc(NC(=O)[C@@H]2CCCN(C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000346842632 146152334 /nfs/dbraw/zinc/15/23/34/146152334.db2.gz IILQCOLINJVQHU-JKSUJKDBSA-N 1 3 316.449 2.040 20 0 DEADHO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](C[C@H]3CCCNC3)C2)n1 ZINC000346842632 146152335 /nfs/dbraw/zinc/15/23/35/146152335.db2.gz IILQCOLINJVQHU-JKSUJKDBSA-N 1 3 316.449 2.040 20 0 DEADHO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](C[C@H]3CCCNC3)C2)n1 ZINC000346842632 146152336 /nfs/dbraw/zinc/15/23/36/146152336.db2.gz IILQCOLINJVQHU-JKSUJKDBSA-N 1 3 316.449 2.040 20 0 DEADHO COC(=O)[C@H](C)CN(Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000346848841 146153118 /nfs/dbraw/zinc/15/31/18/146153118.db2.gz OGUOIHRODLIHNH-WBVHZDCISA-N 1 3 304.434 2.297 20 0 DEADHO C[NH2+]CC1CCN(Cc2cc(OC)cc3c2O[C@H](C)C3)CC1 ZINC000347019049 146181751 /nfs/dbraw/zinc/18/17/51/146181751.db2.gz LPMJJNSHWMFIKY-CYBMUJFWSA-N 1 3 304.434 2.450 20 0 DEADHO CC(=O)N1CC[C@H](N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000348099999 146216771 /nfs/dbraw/zinc/21/67/71/146216771.db2.gz YMNXWQGDRKCMKB-SNRMKQJTSA-N 1 3 315.461 2.107 20 0 DEADHO CC(=O)N1CC[C@H](N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000348099999 146216773 /nfs/dbraw/zinc/21/67/73/146216773.db2.gz YMNXWQGDRKCMKB-SNRMKQJTSA-N 1 3 315.461 2.107 20 0 DEADHO c1cc2c(cc1CN1CCC([C@H]3CC[NH2+]C3)CC1)OCCO2 ZINC000357055429 147031239 /nfs/dbraw/zinc/03/12/39/147031239.db2.gz RIAYHUZFIDWNOO-INIZCTEOSA-N 1 3 302.418 2.279 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357093296 147041112 /nfs/dbraw/zinc/04/11/12/147041112.db2.gz XYGFTXHYBIRSJU-HLLBOEOZSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000358870138 147222856 /nfs/dbraw/zinc/22/28/56/147222856.db2.gz ZMXIWGNMKOGJTK-CKEIUWERSA-N 1 3 321.440 2.105 20 0 DEADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000358870138 147222859 /nfs/dbraw/zinc/22/28/59/147222859.db2.gz ZMXIWGNMKOGJTK-CKEIUWERSA-N 1 3 321.440 2.105 20 0 DEADHO CCCCN1CCCC[C@@H]1CNC(=O)c1csc(CC[NH3+])n1 ZINC000358889357 147224936 /nfs/dbraw/zinc/22/49/36/147224936.db2.gz UOEPPTOWJKDGLA-CYBMUJFWSA-N 1 3 324.494 2.029 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccco1 ZINC000359550928 147350016 /nfs/dbraw/zinc/35/00/16/147350016.db2.gz YVXHUXCWERUIDC-SQWLQELKSA-N 1 3 309.454 2.411 20 0 DEADHO Cc1noc(Cl)c1CCC(=O)NCc1ccc(C[NH3+])cc1 ZINC000565660774 292175546 /nfs/dbraw/zinc/17/55/46/292175546.db2.gz PYVZUNYUDCEFNV-UHFFFAOYSA-N 1 3 307.781 2.344 20 0 DEADHO C[C@H](C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)[C@H](N)c1ccccc1 ZINC000371227698 148075433 /nfs/dbraw/zinc/07/54/33/148075433.db2.gz FDUMAZGHXZOVDA-WBAXXEDZSA-N 1 3 315.461 2.313 20 0 DEADHO C[NH2+]CCCC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000372106345 148170824 /nfs/dbraw/zinc/17/08/24/148170824.db2.gz YRHRRNSKYYFWJW-XJKSGUPXSA-N 1 3 309.479 2.247 20 0 DEADHO C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@@H](N)c1ccccc1 ZINC000565940730 292192360 /nfs/dbraw/zinc/19/23/60/292192360.db2.gz PSASWOMHXFMEAI-WQANXHIZSA-N 1 3 323.440 2.194 20 0 DEADHO Cc1nccnc1CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000565945149 292192575 /nfs/dbraw/zinc/19/25/75/292192575.db2.gz WAGWBFHEOQIFTL-HKUYNNGSSA-N 1 3 324.428 2.173 20 0 DEADHO OC1(CCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000566088755 292203909 /nfs/dbraw/zinc/20/39/09/292203909.db2.gz JLINBDQVZXVISH-MAUKXSAKSA-N 1 3 302.418 2.137 20 0 DEADHO COC[C@@H](O)CNCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000566105318 292206044 /nfs/dbraw/zinc/20/60/44/292206044.db2.gz GTUSMPOARGJSFB-BXWFABGCSA-N 1 3 320.477 2.261 20 0 DEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CCN(C)CC2)C1 ZINC000111797629 401724146 /nfs/dbraw/zinc/72/41/46/401724146.db2.gz ALWGNMDOZUVFMN-OAHLLOKOSA-N 1 3 324.513 2.280 20 0 DEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CCN(C)CC2)C1 ZINC000111797629 401724149 /nfs/dbraw/zinc/72/41/49/401724149.db2.gz ALWGNMDOZUVFMN-OAHLLOKOSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)[NH2+]C1CCN(C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000111798891 401724271 /nfs/dbraw/zinc/72/42/71/401724271.db2.gz UCFZJBTUXLZYEV-UHFFFAOYSA-N 1 3 324.513 2.423 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)N(C)C ZINC000126502212 401697417 /nfs/dbraw/zinc/69/74/17/401697417.db2.gz CKRIRAYGFUEERE-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000126666335 401703246 /nfs/dbraw/zinc/70/32/46/401703246.db2.gz DFLROOJUXHDPIG-WMZOPIPTSA-N 1 3 319.493 2.194 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000126666335 401703249 /nfs/dbraw/zinc/70/32/49/401703249.db2.gz DFLROOJUXHDPIG-WMZOPIPTSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)CCN(CC(=O)NC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000114454279 401799813 /nfs/dbraw/zinc/79/98/13/401799813.db2.gz WPIOALPIQBJERW-UHFFFAOYSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCC(=O)NCc1ccccc1 ZINC000129237321 401800712 /nfs/dbraw/zinc/80/07/12/401800712.db2.gz VZWLOALLICDJFD-BFYDXBDKSA-N 1 3 303.450 2.011 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCC(=O)NCc1ccccc1 ZINC000129237321 401800715 /nfs/dbraw/zinc/80/07/15/401800715.db2.gz VZWLOALLICDJFD-BFYDXBDKSA-N 1 3 303.450 2.011 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]CCN2CCCCC2)[C@H](C)C1 ZINC000128236169 401768217 /nfs/dbraw/zinc/76/82/17/401768217.db2.gz ZBYDNBCHCTUBCH-QZTJIDSGSA-N 1 3 311.514 2.199 20 0 DEADHO CCOCCC[N@@H+]1CC[C@@H](NCCN2CCCCC2)[C@H](C)C1 ZINC000128236169 401768221 /nfs/dbraw/zinc/76/82/21/401768221.db2.gz ZBYDNBCHCTUBCH-QZTJIDSGSA-N 1 3 311.514 2.199 20 0 DEADHO CCOCCC[N@H+]1CC[C@@H](NCCN2CCCCC2)[C@H](C)C1 ZINC000128236169 401768223 /nfs/dbraw/zinc/76/82/23/401768223.db2.gz ZBYDNBCHCTUBCH-QZTJIDSGSA-N 1 3 311.514 2.199 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H]3CCC[C@@H]32)CC1 ZINC000075768600 401768524 /nfs/dbraw/zinc/76/85/24/401768524.db2.gz RMBHBZNHMAFCDI-WBVHZDCISA-N 1 3 307.482 2.240 20 0 DEADHO O=C(NCCN1CCCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010691254 401771514 /nfs/dbraw/zinc/77/15/14/401771514.db2.gz KBDAKVOFFUYBNX-UHFFFAOYSA-N 1 3 315.461 2.498 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCN(CC)C1CC1 ZINC000113404472 401778153 /nfs/dbraw/zinc/77/81/53/401778153.db2.gz GIFAIASFECMTSI-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NCCN(CC)C1CC1 ZINC000113404472 401778154 /nfs/dbraw/zinc/77/81/54/401778154.db2.gz GIFAIASFECMTSI-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO O=C(C[C@H]1CC[NH2+]C1)NC[C@H](c1cccs1)N1CCCC1 ZINC000130305170 401826680 /nfs/dbraw/zinc/82/66/80/401826680.db2.gz QXENGZSOUBEYRI-ZIAGYGMSSA-N 1 3 307.463 2.001 20 0 DEADHO CC[C@@H]1CCC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000077856363 401834790 /nfs/dbraw/zinc/83/47/90/401834790.db2.gz HCXUKYPFKDXBHM-CVEARBPZSA-N 1 3 312.502 2.090 20 0 DEADHO CC[C@H]1CCC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000077856364 401834846 /nfs/dbraw/zinc/83/48/46/401834846.db2.gz HCXUKYPFKDXBHM-HOTGVXAUSA-N 1 3 312.502 2.090 20 0 DEADHO C[C@H](CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)N(C)C1CC1 ZINC000116545996 401854359 /nfs/dbraw/zinc/85/43/59/401854359.db2.gz BRPOHLSQNIVYHP-UKRRQHHQSA-N 1 3 312.502 2.135 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)CC1 ZINC000081257908 401894968 /nfs/dbraw/zinc/89/49/68/401894968.db2.gz HOCARRLTOQLRIE-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@]1(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)CCC[NH2+]1 ZINC000134576972 401906994 /nfs/dbraw/zinc/90/69/94/401906994.db2.gz MTQYAGVZBYMEEV-AEFFLSMTSA-N 1 3 303.450 2.246 20 0 DEADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cncc(F)c2)CC1 ZINC000121326442 402028850 /nfs/dbraw/zinc/02/88/50/402028850.db2.gz WUUPTCLQXFRUBA-LSDHHAIUSA-N 1 3 308.445 2.145 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCN1CCc2ccccc2C1 ZINC000121739903 402050696 /nfs/dbraw/zinc/05/06/96/402050696.db2.gz BCFBHEDFUITFIP-MDZRGWNJSA-N 1 3 301.478 2.363 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCN1CCc2ccccc2C1 ZINC000121739903 402050698 /nfs/dbraw/zinc/05/06/98/402050698.db2.gz BCFBHEDFUITFIP-MDZRGWNJSA-N 1 3 301.478 2.363 20 0 DEADHO Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000120871874 402005445 /nfs/dbraw/zinc/00/54/45/402005445.db2.gz FVOJHCCGISPFGB-GJZGRUSLSA-N 1 3 323.506 2.112 20 0 DEADHO C[C@@H](C(=O)N(C)C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821314 402009600 /nfs/dbraw/zinc/00/96/00/402009600.db2.gz DKVDECJFLKDIDS-HNNXBMFYSA-N 1 3 318.465 2.097 20 0 DEADHO C[C@@H](C(=O)NC1CCCC1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123265530 402118793 /nfs/dbraw/zinc/11/87/93/402118793.db2.gz ZJMYGLMQNOZSPB-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+](CCNC(=O)NC[C@@H](c1ccccc1)N(C)C)C1CC1 ZINC000101974084 402159748 /nfs/dbraw/zinc/15/97/48/402159748.db2.gz DTAWORWIRWGQMO-KRWDZBQOSA-N 1 3 318.465 2.073 20 0 DEADHO CC[N@@H+](CCNC(=O)NC[C@@H](c1ccccc1)N(C)C)C1CC1 ZINC000101974084 402159749 /nfs/dbraw/zinc/15/97/49/402159749.db2.gz DTAWORWIRWGQMO-KRWDZBQOSA-N 1 3 318.465 2.073 20 0 DEADHO CC[NH+](CC)CCNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000067704327 402169034 /nfs/dbraw/zinc/16/90/34/402169034.db2.gz HFHBDLYTVGAHMW-KRWDZBQOSA-N 1 3 320.481 2.239 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)NC[C@H](C)N2CCC(C)CC2)CC1 ZINC000067707819 402169104 /nfs/dbraw/zinc/16/91/04/402169104.db2.gz RTVLHDOMEWUMMV-INIZCTEOSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@H](C)CCC[C@H]2C)CC1 ZINC000125161101 402216750 /nfs/dbraw/zinc/21/67/50/402216750.db2.gz SRSUHLIASYXBOK-HZPDHXFCSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000155629960 402263494 /nfs/dbraw/zinc/26/34/94/402263494.db2.gz NMNRXHNAWNPHOD-YOEHRIQHSA-N 1 3 303.450 2.272 20 0 DEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCN(C)C2)C1 ZINC000108562960 402256917 /nfs/dbraw/zinc/25/69/17/402256917.db2.gz QRJYBRRCFMJLSS-CVEARBPZSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCN(C)C2)C1 ZINC000108562960 402256918 /nfs/dbraw/zinc/25/69/18/402256918.db2.gz QRJYBRRCFMJLSS-CVEARBPZSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000105186204 402207075 /nfs/dbraw/zinc/20/70/75/402207075.db2.gz UNNYQFYAVLQFTR-QKPAOTATSA-N 1 3 324.513 2.135 20 0 DEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000105186204 402207077 /nfs/dbraw/zinc/20/70/77/402207077.db2.gz UNNYQFYAVLQFTR-QKPAOTATSA-N 1 3 324.513 2.135 20 0 DEADHO CC(C)C[C@H](N)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000236646310 402371030 /nfs/dbraw/zinc/37/10/30/402371030.db2.gz WSHVHCTZWNROQX-MSOLQXFVSA-N 1 3 317.477 2.340 20 0 DEADHO CC(C)C[C@H](N)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000236646310 402371033 /nfs/dbraw/zinc/37/10/33/402371033.db2.gz WSHVHCTZWNROQX-MSOLQXFVSA-N 1 3 317.477 2.340 20 0 DEADHO CC(C)C[C@H](N)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000236656557 402371651 /nfs/dbraw/zinc/37/16/51/402371651.db2.gz WXZGDZUNJXZZBS-SJORKVTESA-N 1 3 309.498 2.330 20 0 DEADHO C[C@@H](CNC(=O)C[C@H](N)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000236716699 402377461 /nfs/dbraw/zinc/37/74/61/402377461.db2.gz XKZBVTDMXHNUER-RDJZCZTQSA-N 1 3 303.450 2.313 20 0 DEADHO CC1CCN([C@H](CNC(=O)C(C)(C)[NH3+])c2ccccc2)CC1 ZINC000236726151 402378121 /nfs/dbraw/zinc/37/81/21/402378121.db2.gz RWUFRKYVYPBVBU-MRXNPFEDSA-N 1 3 303.450 2.313 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000236828050 402384422 /nfs/dbraw/zinc/38/44/22/402384422.db2.gz FMLPZYNUCXJZDN-IAGOWNOFSA-N 1 3 315.461 2.316 20 0 DEADHO CN1CCC[C@H]1CC[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000185194518 402332590 /nfs/dbraw/zinc/33/25/90/402332590.db2.gz GZSNOXIAXUCCPQ-LSDHHAIUSA-N 1 3 311.470 2.364 20 0 DEADHO C[N@@H+]1CCC[C@H]1CCN[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000185194518 402332592 /nfs/dbraw/zinc/33/25/92/402332592.db2.gz GZSNOXIAXUCCPQ-LSDHHAIUSA-N 1 3 311.470 2.364 20 0 DEADHO C[N@H+]1CCC[C@H]1CCN[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000185194518 402332595 /nfs/dbraw/zinc/33/25/95/402332595.db2.gz GZSNOXIAXUCCPQ-LSDHHAIUSA-N 1 3 311.470 2.364 20 0 DEADHO CN1CCC[C@@H]1CC[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000185194541 402332791 /nfs/dbraw/zinc/33/27/91/402332791.db2.gz GZSNOXIAXUCCPQ-CABCVRRESA-N 1 3 311.470 2.364 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCN[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000185194541 402332793 /nfs/dbraw/zinc/33/27/93/402332793.db2.gz GZSNOXIAXUCCPQ-CABCVRRESA-N 1 3 311.470 2.364 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCN[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000185194541 402332796 /nfs/dbraw/zinc/33/27/96/402332796.db2.gz GZSNOXIAXUCCPQ-CABCVRRESA-N 1 3 311.470 2.364 20 0 DEADHO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CCCN1CCCC1)C1CC1 ZINC000185215785 402335407 /nfs/dbraw/zinc/33/54/07/402335407.db2.gz DCAPJYVNGDOMAY-OAHLLOKOSA-N 1 3 311.470 2.365 20 0 DEADHO CC(C)(C)OC(=O)NC[C@@H](NCCC[NH+]1CCCC1)C1CC1 ZINC000185215785 402335409 /nfs/dbraw/zinc/33/54/09/402335409.db2.gz DCAPJYVNGDOMAY-OAHLLOKOSA-N 1 3 311.470 2.365 20 0 DEADHO COc1ccsc1[C@H](C)NCCN1CCC([NH+](C)C)CC1 ZINC000186186989 402408822 /nfs/dbraw/zinc/40/88/22/402408822.db2.gz PBLPJPOYZQRFJJ-ZDUSSCGKSA-N 1 3 311.495 2.433 20 0 DEADHO C[C@H]1CCC[C@@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000162474073 402421148 /nfs/dbraw/zinc/42/11/48/402421148.db2.gz PJRMIQIHVSTFJT-JKSUJKDBSA-N 1 3 321.509 2.488 20 0 DEADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000237974109 402429399 /nfs/dbraw/zinc/42/93/99/402429399.db2.gz MGZKHCHXKUGLSW-IRXDYDNUSA-N 1 3 301.434 2.082 20 0 DEADHO CCCN1CCC([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000162841136 402433821 /nfs/dbraw/zinc/43/38/21/402433821.db2.gz YHCCQFHHHNTZLP-IRXDYDNUSA-N 1 3 311.514 2.340 20 0 DEADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+][C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000177793430 402436853 /nfs/dbraw/zinc/43/68/53/402436853.db2.gz DUGUGMRMTDCXIG-JYYAWHABSA-N 1 3 301.434 2.110 20 0 DEADHO CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000237042987 402392971 /nfs/dbraw/zinc/39/29/71/402392971.db2.gz BODAKCGCSAJPOB-WBAXXEDZSA-N 1 3 317.477 2.313 20 0 DEADHO C[C@H]1C[C@@H](NCCNC(=O)c2ccccc2Cl)CC[N@@H+]1C ZINC000178168460 402467141 /nfs/dbraw/zinc/46/71/41/402467141.db2.gz CRKUJQUAYBJVPL-STQMWFEESA-N 1 3 309.841 2.142 20 0 DEADHO C[C@H]1C[C@@H](NCCNC(=O)c2ccccc2Cl)CC[N@H+]1C ZINC000178168460 402467143 /nfs/dbraw/zinc/46/71/43/402467143.db2.gz CRKUJQUAYBJVPL-STQMWFEESA-N 1 3 309.841 2.142 20 0 DEADHO C[C@H](N)C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000164847110 402469732 /nfs/dbraw/zinc/46/97/32/402469732.db2.gz HTNHTSCUFQRWDE-ZNMIVQPWSA-N 1 3 303.450 2.128 20 0 DEADHO C[C@H](N)C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000164847110 402469734 /nfs/dbraw/zinc/46/97/34/402469734.db2.gz HTNHTSCUFQRWDE-ZNMIVQPWSA-N 1 3 303.450 2.128 20 0 DEADHO CSCC[C@H](N)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000165925710 402479903 /nfs/dbraw/zinc/47/99/03/402479903.db2.gz KBCBTXWTZYVMTB-INIZCTEOSA-N 1 3 321.490 2.344 20 0 DEADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccc2c(c1)OCO2 ZINC000166054928 402481306 /nfs/dbraw/zinc/48/13/06/402481306.db2.gz FVROXOQQQUEFQY-DZGCQCFKSA-N 1 3 308.422 2.423 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCC[NH2+]2)CCN1Cc1ccccc1 ZINC000167540930 402491597 /nfs/dbraw/zinc/49/15/97/402491597.db2.gz ZZCJTBQENXFEKV-NJAFHUGGSA-N 1 3 315.461 2.298 20 0 DEADHO COCCC[C@@H](C)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000178414784 402496096 /nfs/dbraw/zinc/49/60/96/402496096.db2.gz ZULRHHHGVPJBGI-QGZVFWFLSA-N 1 3 319.493 2.339 20 0 DEADHO CC[N@@H+]1CC[C@H](NCCN2CCc3sccc3C2)[C@@H](C)C1 ZINC000247247497 402561498 /nfs/dbraw/zinc/56/14/98/402561498.db2.gz ZIOGEWGNZFTXAZ-HOCLYGCPSA-N 1 3 307.507 2.426 20 0 DEADHO CC[N@H+]1CC[C@H](NCCN2CCc3sccc3C2)[C@@H](C)C1 ZINC000247247497 402561500 /nfs/dbraw/zinc/56/15/00/402561500.db2.gz ZIOGEWGNZFTXAZ-HOCLYGCPSA-N 1 3 307.507 2.426 20 0 DEADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)NC1CCN(C2CC2)CC1 ZINC000188286582 402518965 /nfs/dbraw/zinc/51/89/65/402518965.db2.gz WMJFNDVVBNIFCF-HNNXBMFYSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000246396539 402529511 /nfs/dbraw/zinc/52/95/11/402529511.db2.gz JIFNUBDYDZKHAA-IAGOWNOFSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000246396539 402529512 /nfs/dbraw/zinc/52/95/12/402529512.db2.gz JIFNUBDYDZKHAA-IAGOWNOFSA-N 1 3 324.513 2.234 20 0 DEADHO CC[N@@H+]1CC[C@@H](N(C)C[C@@H](O)COCc2ccccc2)[C@@H](C)C1 ZINC000246506881 402534695 /nfs/dbraw/zinc/53/46/95/402534695.db2.gz IAHKKXHDENWOOU-QXAKKESOSA-N 1 3 320.477 2.226 20 0 DEADHO CC[N@H+]1CC[C@@H](N(C)C[C@@H](O)COCc2ccccc2)[C@@H](C)C1 ZINC000246506881 402534698 /nfs/dbraw/zinc/53/46/98/402534698.db2.gz IAHKKXHDENWOOU-QXAKKESOSA-N 1 3 320.477 2.226 20 0 DEADHO NC1(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCCC1 ZINC000178761133 402535940 /nfs/dbraw/zinc/53/59/40/402535940.db2.gz DGXPVYVLVLUJPN-INIZCTEOSA-N 1 3 307.482 2.373 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@@H](N[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247670516 402574184 /nfs/dbraw/zinc/57/41/84/402574184.db2.gz ZITKHBDGIDWIRM-QLFBSQMISA-N 1 3 311.470 2.458 20 0 DEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247670516 402574186 /nfs/dbraw/zinc/57/41/86/402574186.db2.gz ZITKHBDGIDWIRM-QLFBSQMISA-N 1 3 311.470 2.458 20 0 DEADHO CC[N@@H+]1CC[C@H](NC[C@H](CC(C)C)N2CCOCC2)[C@@H](C)C1 ZINC000247946382 402578590 /nfs/dbraw/zinc/57/85/90/402578590.db2.gz HOZLYWJWLQVQJE-BZSNNMDCSA-N 1 3 311.514 2.053 20 0 DEADHO CC[N@H+]1CC[C@H](NC[C@H](CC(C)C)N2CCOCC2)[C@@H](C)C1 ZINC000247946382 402578591 /nfs/dbraw/zinc/57/85/91/402578591.db2.gz HOZLYWJWLQVQJE-BZSNNMDCSA-N 1 3 311.514 2.053 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCN(C)[C@H](C)C2)[C@@H](C)C1 ZINC000248123400 402582692 /nfs/dbraw/zinc/58/26/92/402582692.db2.gz NPTCEKTZVJBGRS-MLHJIOFPSA-N 1 3 311.514 2.196 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NCCC[NH+]1CCCCC1 ZINC000171899090 402632554 /nfs/dbraw/zinc/63/25/54/402632554.db2.gz UQSOYIRQKJOSAF-INIZCTEOSA-N 1 3 310.486 2.036 20 0 DEADHO C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000192099475 402711019 /nfs/dbraw/zinc/71/10/19/402711019.db2.gz BWKTYQLCGYRHRA-YQQAZPJKSA-N 1 3 303.450 2.093 20 0 DEADHO C[C@@H]([NH3+])[C@H](C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000192113893 402712681 /nfs/dbraw/zinc/71/26/81/402712681.db2.gz HUUVPJSXNAGEKN-KYHPRHEASA-N 1 3 317.477 2.481 20 0 DEADHO [NH3+]CC[C@@H]1CCCN(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)C1 ZINC000261952273 402720101 /nfs/dbraw/zinc/72/01/01/402720101.db2.gz NHEBYVYENDCHJI-ULQDDVLXSA-N 1 3 307.482 2.228 20 0 DEADHO CC[N@H+](C)CCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000173561782 402703191 /nfs/dbraw/zinc/70/31/91/402703191.db2.gz GLPWADOLMZBZOU-UHFFFAOYSA-N 1 3 303.406 2.176 20 0 DEADHO CC[N@@H+](C)CCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000173561782 402703194 /nfs/dbraw/zinc/70/31/94/402703194.db2.gz GLPWADOLMZBZOU-UHFFFAOYSA-N 1 3 303.406 2.176 20 0 DEADHO CN(c1ccccc1C[NH2+]CCCCCO)C1CCN(C)CC1 ZINC000192902090 402756076 /nfs/dbraw/zinc/75/60/76/402756076.db2.gz RKMZDDSUIYSCAE-UHFFFAOYSA-N 1 3 319.493 2.469 20 0 DEADHO O=C(N1CCCN(C2CCCC2)CC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262372355 402724972 /nfs/dbraw/zinc/72/49/72/402724972.db2.gz LXCNEZCVXZKNFU-QFBILLFUSA-N 1 3 319.493 2.243 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000175565828 402817893 /nfs/dbraw/zinc/81/78/93/402817893.db2.gz UVAKUMJCJIPQOM-HZPDHXFCSA-N 1 3 324.513 2.423 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175807578 402834509 /nfs/dbraw/zinc/83/45/09/402834509.db2.gz NDZBWEHPEKBOFJ-QGZVFWFLSA-N 1 3 322.497 2.177 20 0 DEADHO CC[N@@H+]1CC[C@H](N[C@@H]2COc3cc(OC)ccc3C2)[C@@H](C)C1 ZINC000271416476 402869240 /nfs/dbraw/zinc/86/92/40/402869240.db2.gz BIFCVOCGTWNKGZ-QRTARXTBSA-N 1 3 304.434 2.319 20 0 DEADHO CC[N@H+]1CC[C@H](N[C@@H]2COc3cc(OC)ccc3C2)[C@@H](C)C1 ZINC000271416476 402869242 /nfs/dbraw/zinc/86/92/42/402869242.db2.gz BIFCVOCGTWNKGZ-QRTARXTBSA-N 1 3 304.434 2.319 20 0 DEADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1cncc(F)c1 ZINC000271457425 402872910 /nfs/dbraw/zinc/87/29/10/402872910.db2.gz FOERRWVGWJTMTE-VUCTXSBTSA-N 1 3 307.413 2.249 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C12CCC[NH+]1CCC2 ZINC000278825493 402875852 /nfs/dbraw/zinc/87/58/52/402875852.db2.gz RNAQMGQJHFZGQN-MRXNPFEDSA-N 1 3 315.461 2.252 20 0 DEADHO CN(Cc1ccc(C[N@H+](C)[C@H]2CCOC2)cc1)[C@H]1CCOC1 ZINC000264429171 402877688 /nfs/dbraw/zinc/87/76/88/402877688.db2.gz NQRYVTNEIPERBU-ROUUACIJSA-N 1 3 304.434 2.128 20 0 DEADHO CN(Cc1ccc(C[N@@H+](C)[C@H]2CCOC2)cc1)[C@H]1CCOC1 ZINC000264429171 402877690 /nfs/dbraw/zinc/87/76/90/402877690.db2.gz NQRYVTNEIPERBU-ROUUACIJSA-N 1 3 304.434 2.128 20 0 DEADHO OCc1ccc(C[NH2+]CC2CCN(c3ccncc3)CC2)o1 ZINC000271524624 402879160 /nfs/dbraw/zinc/87/91/60/402879160.db2.gz NLWKUKFAECHCHN-UHFFFAOYSA-N 1 3 301.390 2.173 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272230548 402912202 /nfs/dbraw/zinc/91/22/02/402912202.db2.gz DUNRLONXRGLVCA-FUHWJXTLSA-N 1 3 317.477 2.355 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272230548 402912203 /nfs/dbraw/zinc/91/22/03/402912203.db2.gz DUNRLONXRGLVCA-FUHWJXTLSA-N 1 3 317.477 2.355 20 0 DEADHO CCOC(=O)CCC[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000280558946 403013136 /nfs/dbraw/zinc/01/31/36/403013136.db2.gz UUKGKJUJVSUCSQ-HDICACEKSA-N 1 3 316.445 2.394 20 0 DEADHO CCOC(=O)CCC[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000280558946 403013138 /nfs/dbraw/zinc/01/31/38/403013138.db2.gz UUKGKJUJVSUCSQ-HDICACEKSA-N 1 3 316.445 2.394 20 0 DEADHO C[N@H+]1CC=C(CNCc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000275679624 403115027 /nfs/dbraw/zinc/11/50/27/403115027.db2.gz ZSNUZFGBVWMFNR-UHFFFAOYSA-N 1 3 314.408 2.422 20 0 DEADHO C[N@@H+]1CC=C(CNCc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000275679624 403115029 /nfs/dbraw/zinc/11/50/29/403115029.db2.gz ZSNUZFGBVWMFNR-UHFFFAOYSA-N 1 3 314.408 2.422 20 0 DEADHO C[C@H]([NH3+])CCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000277428622 403216585 /nfs/dbraw/zinc/21/65/85/403216585.db2.gz BWWYLDKFJKUIBP-HLLBOEOZSA-N 1 3 303.450 2.141 20 0 DEADHO Cc1cc(C[N@H+]2CCC[C@@H](N(C)C)CC2)ccc1-n1cncn1 ZINC000277558312 403230646 /nfs/dbraw/zinc/23/06/46/403230646.db2.gz RMWUCZXYRGSOMJ-QGZVFWFLSA-N 1 3 313.449 2.492 20 0 DEADHO Cc1cc(C[N@@H+]2CCC[C@@H](N(C)C)CC2)ccc1-n1cncn1 ZINC000277558312 403230647 /nfs/dbraw/zinc/23/06/47/403230647.db2.gz RMWUCZXYRGSOMJ-QGZVFWFLSA-N 1 3 313.449 2.492 20 0 DEADHO c1cnn(CC[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c1 ZINC000285763438 403373785 /nfs/dbraw/zinc/37/37/85/403373785.db2.gz ZODQIKZRYJIPGN-LJQANCHMSA-N 1 3 310.445 2.481 20 0 DEADHO c1cnn(CC[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c1 ZINC000285763438 403373788 /nfs/dbraw/zinc/37/37/88/403373788.db2.gz ZODQIKZRYJIPGN-LJQANCHMSA-N 1 3 310.445 2.481 20 0 DEADHO CCC(CC)[C@H](CNC(=O)N1CCCN(C)CC1)[NH+]1CCCC1 ZINC000339644963 403404590 /nfs/dbraw/zinc/40/45/90/403404590.db2.gz PRZUNBROULONJQ-KRWDZBQOSA-N 1 3 324.513 2.234 20 0 DEADHO c1cc(N2CCC([NH2+]CCCOC[C@@H]3CCCO3)CC2)ccn1 ZINC000298554191 403412741 /nfs/dbraw/zinc/41/27/41/403412741.db2.gz VDSPWIMAANJCAH-SFHVURJKSA-N 1 3 319.449 2.226 20 0 DEADHO C[C@H](CCNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)[NH+]1CCCCC1 ZINC000345672783 403430817 /nfs/dbraw/zinc/43/08/17/403430817.db2.gz SIJFDEJCBHTZLI-BFYDXBDKSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H]1[C@H](NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CCCN1C ZINC000345753745 403470176 /nfs/dbraw/zinc/47/01/76/403470176.db2.gz QPXVVCJWSUZYDF-IXDOHACOSA-N 1 3 322.497 2.129 20 0 DEADHO C[NH+](C)CCC1CCN(C[C@H](O)COc2ccccc2F)CC1 ZINC000298839151 403471953 /nfs/dbraw/zinc/47/19/53/403471953.db2.gz FGBRDHBQLUMVOD-INIZCTEOSA-N 1 3 324.440 2.229 20 0 DEADHO C[C@@H]1[C@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)CCCN1C ZINC000345765111 403475131 /nfs/dbraw/zinc/47/51/31/403475131.db2.gz YRXQFVHCNKURSL-NVXWUHKLSA-N 1 3 324.513 2.233 20 0 DEADHO CN1CC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC000346337761 403585479 /nfs/dbraw/zinc/58/54/79/403585479.db2.gz ZMNHMETZDIYDAO-LPHOPBHVSA-N 1 3 319.493 2.195 20 0 DEADHO CN1CC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC000346337761 403585482 /nfs/dbraw/zinc/58/54/82/403585482.db2.gz ZMNHMETZDIYDAO-LPHOPBHVSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(CN(C)C)cc1 ZINC000287396998 403590139 /nfs/dbraw/zinc/59/01/39/403590139.db2.gz YREDZFGJDIUSBK-QAPCUYQASA-N 1 3 315.461 2.447 20 0 DEADHO C[C@@H](C(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1)N1CCCCCC1 ZINC000346179017 403577717 /nfs/dbraw/zinc/57/77/17/403577717.db2.gz GFVZVDXIUQWRPT-XWTMOSNGSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H](C(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1)N1CCCCCC1 ZINC000346179017 403577720 /nfs/dbraw/zinc/57/77/20/403577720.db2.gz GFVZVDXIUQWRPT-XWTMOSNGSA-N 1 3 321.509 2.440 20 0 DEADHO COC(C)(C)[C@@H](C)[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000340518514 403634764 /nfs/dbraw/zinc/63/47/64/403634764.db2.gz UKSIBSWLYSNXEL-RHSMWYFYSA-N 1 3 306.450 2.156 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000340551833 403644290 /nfs/dbraw/zinc/64/42/90/403644290.db2.gz YEIWSDZNRODAJO-JZXOWHBKSA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC2CCC(C[NH3+])CC2)c1 ZINC000343587024 403652266 /nfs/dbraw/zinc/65/22/66/403652266.db2.gz CXVIURQVGWHPNT-UHFFFAOYSA-N 1 3 303.450 2.243 20 0 DEADHO COc1ccc([C@H](NCC2=CCN(C)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423018447 286375695 /nfs/dbraw/zinc/37/56/95/286375695.db2.gz QXQJGMNEERHBSP-MOPGFXCFSA-N 1 3 315.461 2.340 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NCC2([NH+](C)C)CCCCC2)CCCN1C ZINC000343652697 403678654 /nfs/dbraw/zinc/67/86/54/403678654.db2.gz LKPKHPDVDUDQOE-HUUCEWRRSA-N 1 3 310.486 2.033 20 0 DEADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3cccc4c3OCO4)CC2)C1 ZINC000333195425 403690786 /nfs/dbraw/zinc/69/07/86/403690786.db2.gz WDAPZUGVCRQNFX-RDJZCZTQSA-N 1 3 318.417 2.134 20 0 DEADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3cccc4c3OCO4)CC2)C1 ZINC000333195426 403691331 /nfs/dbraw/zinc/69/13/31/403691331.db2.gz WDAPZUGVCRQNFX-WBVHZDCISA-N 1 3 318.417 2.134 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000340938682 403705037 /nfs/dbraw/zinc/70/50/37/403705037.db2.gz NUIIVORRUKNLQS-TWMKSMIVSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000340938682 403705040 /nfs/dbraw/zinc/70/50/40/403705040.db2.gz NUIIVORRUKNLQS-TWMKSMIVSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H](c1ccccn1)N1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000343717201 403705933 /nfs/dbraw/zinc/70/59/33/403705933.db2.gz RXUFYYAOKCADQY-HOTGVXAUSA-N 1 3 302.466 2.243 20 0 DEADHO C[C@@H](c1ccccn1)N1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000343717201 403705935 /nfs/dbraw/zinc/70/59/35/403705935.db2.gz RXUFYYAOKCADQY-HOTGVXAUSA-N 1 3 302.466 2.243 20 0 DEADHO C[NH+]1CCC(C)(CNC(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000333337406 403727662 /nfs/dbraw/zinc/72/76/62/403727662.db2.gz PDGIKHHDKGNHRJ-UHFFFAOYSA-N 1 3 302.422 2.143 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)CCN1C ZINC000340995810 403728343 /nfs/dbraw/zinc/72/83/43/403728343.db2.gz SACMSKQLBVUDMB-OAGGEKHMSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NCCC[N@H+]2CCCC[C@H]2C)CCN1C ZINC000340995810 403728346 /nfs/dbraw/zinc/72/83/46/403728346.db2.gz SACMSKQLBVUDMB-OAGGEKHMSA-N 1 3 310.486 2.033 20 0 DEADHO C[NH+](C)CCC1CCN(Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000295062838 403747711 /nfs/dbraw/zinc/74/77/11/403747711.db2.gz ADYWFLGSCDNTBI-UHFFFAOYSA-N 1 3 317.433 2.181 20 0 DEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)CNC3)C[C@@H]1C ZINC000347608586 403772656 /nfs/dbraw/zinc/77/26/56/403772656.db2.gz CPDCGGOTCGTPCX-SUMWQHHRSA-N 1 3 301.434 2.235 20 0 DEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)CNC3)C[C@@H]1C ZINC000347608586 403772660 /nfs/dbraw/zinc/77/26/60/403772660.db2.gz CPDCGGOTCGTPCX-SUMWQHHRSA-N 1 3 301.434 2.235 20 0 DEADHO CCN1CC[C@H]([N@H+](C)Cc2ccc3c(c2)oc(=O)n3C)C[C@@H]1C ZINC000351643458 403824600 /nfs/dbraw/zinc/82/46/00/403824600.db2.gz DIJCOMARKWJDGD-ZFWWWQNUSA-N 1 3 317.433 2.436 20 0 DEADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)oc(=O)n3C)C[C@@H]1C ZINC000351643458 403824608 /nfs/dbraw/zinc/82/46/08/403824608.db2.gz DIJCOMARKWJDGD-ZFWWWQNUSA-N 1 3 317.433 2.436 20 0 DEADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccncc1OCCN(C)C ZINC000343930685 403797226 /nfs/dbraw/zinc/79/72/26/403797226.db2.gz MEDMMSMNKHRAFA-IRXDYDNUSA-N 1 3 321.465 2.317 20 0 DEADHO COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccncc1OCCN(C)C ZINC000344080574 403896164 /nfs/dbraw/zinc/89/61/64/403896164.db2.gz OJSQHAOTUQIKFD-RDJZCZTQSA-N 1 3 321.465 2.317 20 0 DEADHO CCO[C@@H]1C[C@H](NCc2ccncc2OCC[NH+](C)C)C1(C)C ZINC000344026529 403857482 /nfs/dbraw/zinc/85/74/82/403857482.db2.gz GSGYUQHRJCSCAO-DLBZAZTESA-N 1 3 321.465 2.315 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000344057872 403880477 /nfs/dbraw/zinc/88/04/77/403880477.db2.gz JFVQTZHYMVVFIE-IYBDPMFKSA-N 1 3 321.465 2.433 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000344057872 403880478 /nfs/dbraw/zinc/88/04/78/403880478.db2.gz JFVQTZHYMVVFIE-IYBDPMFKSA-N 1 3 321.465 2.433 20 0 DEADHO CSc1ccccc1NC(=O)CCN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351853158 403962022 /nfs/dbraw/zinc/96/20/22/403962022.db2.gz NXHQBSPOUNEHRY-QWHCGFSZSA-N 1 3 307.463 2.406 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCN(CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000351852297 403962266 /nfs/dbraw/zinc/96/22/66/403962266.db2.gz MQSJXWXSSMBXCT-QILLFSRXSA-N 1 3 315.461 2.239 20 0 DEADHO C[C@@H](O)CN(Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H](C)CO ZINC000411613092 403911237 /nfs/dbraw/zinc/91/12/37/403911237.db2.gz JBIABWOTIPWGQD-DLBZAZTESA-N 1 3 320.477 2.236 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN[C@@H](CC(F)(F)F)C(C)C)CC1 ZINC000411623547 403913674 /nfs/dbraw/zinc/91/36/74/403913674.db2.gz ZMNIIYWRGKNWLG-ZDUSSCGKSA-N 1 3 323.403 2.154 20 0 DEADHO CCC[N@H+](CCO)Cc1ccccc1N1CCN(CC)CC1 ZINC000305727856 403920156 /nfs/dbraw/zinc/92/01/56/403920156.db2.gz IRYXLRMCAHLZQX-UHFFFAOYSA-N 1 3 305.466 2.033 20 0 DEADHO CCC[N@@H+](CCO)Cc1ccccc1N1CCN(CC)CC1 ZINC000305727856 403920158 /nfs/dbraw/zinc/92/01/58/403920158.db2.gz IRYXLRMCAHLZQX-UHFFFAOYSA-N 1 3 305.466 2.033 20 0 DEADHO CCC[N@H+](CCN1CCN(CC)CC1)C[C@@H]1CCO[C@H](C)C1 ZINC000344174684 403957913 /nfs/dbraw/zinc/95/79/13/403957913.db2.gz WSOZBANOISLFFT-QZTJIDSGSA-N 1 3 311.514 2.151 20 0 DEADHO CCC[N@@H+](CCN1CCN(CC)CC1)C[C@@H]1CCO[C@H](C)C1 ZINC000344174684 403957918 /nfs/dbraw/zinc/95/79/18/403957918.db2.gz WSOZBANOISLFFT-QZTJIDSGSA-N 1 3 311.514 2.151 20 0 DEADHO CC(C)N1CC[C@@H](C[NH2+]C2CCN(c3ccccn3)CC2)C1 ZINC000314866139 404003071 /nfs/dbraw/zinc/00/30/71/404003071.db2.gz FLVAQNZJCJWVQE-INIZCTEOSA-N 1 3 302.466 2.370 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccncc1C ZINC000296057343 404074247 /nfs/dbraw/zinc/07/42/47/404074247.db2.gz PAOZHUHJZYSQTK-SFHVURJKSA-N 1 3 304.482 2.238 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccncc1C ZINC000296057343 404074251 /nfs/dbraw/zinc/07/42/51/404074251.db2.gz PAOZHUHJZYSQTK-SFHVURJKSA-N 1 3 304.482 2.238 20 0 DEADHO CCN1CCN(c2ccc(NC(=O)CC(C)(C)[NH3+])c(C)c2)CC1 ZINC000321616703 404076904 /nfs/dbraw/zinc/07/69/04/404076904.db2.gz NHOJLZCJLDXUHX-UHFFFAOYSA-N 1 3 318.465 2.203 20 0 DEADHO COc1cc(OC)c(OC)cc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000324441296 404100012 /nfs/dbraw/zinc/10/00/12/404100012.db2.gz JGLMGONXJUROFD-OKILXGFUSA-N 1 3 320.433 2.144 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCCN(C(C)C)CC1)[NH+]1CCCCC1 ZINC000354874732 404071800 /nfs/dbraw/zinc/07/18/00/404071800.db2.gz BAFVPRWFBJKYQJ-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@@H+]1CC[C@@H](CN[C@@H]2COc3ccc(OC)cc3C2)C1 ZINC000296126293 404105235 /nfs/dbraw/zinc/10/52/35/404105235.db2.gz VNVHXDGZAMUHMX-HOCLYGCPSA-N 1 3 304.434 2.320 20 0 DEADHO CCC[N@H+]1CC[C@@H](CN[C@@H]2COc3ccc(OC)cc3C2)C1 ZINC000296126293 404105242 /nfs/dbraw/zinc/10/52/42/404105242.db2.gz VNVHXDGZAMUHMX-HOCLYGCPSA-N 1 3 304.434 2.320 20 0 DEADHO CCCN1CC[C@@H](C[NH2+][C@@H]2COc3ccc(OC)cc3C2)C1 ZINC000296126293 404105250 /nfs/dbraw/zinc/10/52/50/404105250.db2.gz VNVHXDGZAMUHMX-HOCLYGCPSA-N 1 3 304.434 2.320 20 0 DEADHO COCc1ccccc1/C=C(\C)C[NH2+]C[C@H](O)CN1CCCC1 ZINC000352211724 404217938 /nfs/dbraw/zinc/21/79/38/404217938.db2.gz LVEWCKOUIIKPBO-SKTWIKFTSA-N 1 3 318.461 2.283 20 0 DEADHO CCC[N@H+](CC)CCNC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000352145189 404174705 /nfs/dbraw/zinc/17/47/05/404174705.db2.gz DZLDAWWHFRHEEI-OAHLLOKOSA-N 1 3 312.502 2.090 20 0 DEADHO CCC[N@@H+](CC)CCNC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000352145189 404174713 /nfs/dbraw/zinc/17/47/13/404174713.db2.gz DZLDAWWHFRHEEI-OAHLLOKOSA-N 1 3 312.502 2.090 20 0 DEADHO CC(C)N1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000349935303 404265463 /nfs/dbraw/zinc/26/54/63/404265463.db2.gz POWYUHHAWAFSQK-INIZCTEOSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)N1CCCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000349935303 404265471 /nfs/dbraw/zinc/26/54/71/404265471.db2.gz POWYUHHAWAFSQK-INIZCTEOSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H](NC1CC1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000296476710 404265829 /nfs/dbraw/zinc/26/58/29/404265829.db2.gz PTDIMPHUECZSLE-HNNXBMFYSA-N 1 3 315.461 2.155 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000290671137 404266921 /nfs/dbraw/zinc/26/69/21/404266921.db2.gz SSIYEFGXDFFHQH-GOSISDBHSA-N 1 3 315.461 2.210 20 0 DEADHO C[C@H](C(=O)N[C@@H](C)CC[NH3+])N1CCC(Cc2ccccc2)CC1 ZINC000349983119 404284401 /nfs/dbraw/zinc/28/44/01/404284401.db2.gz APDAZBONQMTXPK-JKSUJKDBSA-N 1 3 317.477 2.183 20 0 DEADHO CC(C)CCO[C@@H]1CCCC[C@H]1NC[C@H](O)C[N@H+](C)C1CC1 ZINC000352365198 404318632 /nfs/dbraw/zinc/31/86/32/404318632.db2.gz OLKSKARGRPFRSP-RCCFBDPRSA-N 1 3 312.498 2.405 20 0 DEADHO CC(C)CCO[C@@H]1CCCC[C@H]1NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000352365198 404318638 /nfs/dbraw/zinc/31/86/38/404318638.db2.gz OLKSKARGRPFRSP-RCCFBDPRSA-N 1 3 312.498 2.405 20 0 DEADHO COc1ccc(NC(=O)CCN2CCCC[C@H]2CC[NH3+])cc1 ZINC000352477411 404398954 /nfs/dbraw/zinc/39/89/54/404398954.db2.gz LDWAIQDYNFEPOG-HNNXBMFYSA-N 1 3 305.422 2.227 20 0 DEADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCC(C)(C)OCCO)CC2)C1 ZINC000352488752 404406468 /nfs/dbraw/zinc/40/64/68/404406468.db2.gz UEQBSCRRHBWVAB-DOTOQJQBSA-N 1 3 312.498 2.407 20 0 DEADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]CC(C)(C)OCCO)CC2)C1 ZINC000352488752 404406478 /nfs/dbraw/zinc/40/64/78/404406478.db2.gz UEQBSCRRHBWVAB-DOTOQJQBSA-N 1 3 312.498 2.407 20 0 DEADHO CC(C)[C@@H](CNC(=O)NCCN(C)C1CC1)[NH+]1CCCCCC1 ZINC000352656302 404519701 /nfs/dbraw/zinc/51/97/01/404519701.db2.gz MIXVJIQJNVLHNL-QGZVFWFLSA-N 1 3 324.513 2.280 20 0 DEADHO c1ccc2cc(CCN3CCN([C@@H]4CC[NH2+]C4)CC3)ccc2c1 ZINC000352519116 404432251 /nfs/dbraw/zinc/43/22/51/404432251.db2.gz LYUKHCZNOJLGGX-HXUWFJFHSA-N 1 3 309.457 2.362 20 0 DEADHO COCCOc1ccc(CNCC2=CC[N@H+](C)CC2)cc1OC ZINC000345160498 404583758 /nfs/dbraw/zinc/58/37/58/404583758.db2.gz GBSCERCLGKCYFQ-UHFFFAOYSA-N 1 3 320.433 2.072 20 0 DEADHO COCCOc1ccc(CNCC2=CC[N@@H+](C)CC2)cc1OC ZINC000345160498 404583765 /nfs/dbraw/zinc/58/37/65/404583765.db2.gz GBSCERCLGKCYFQ-UHFFFAOYSA-N 1 3 320.433 2.072 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000345098029 404546923 /nfs/dbraw/zinc/54/69/23/404546923.db2.gz DMALZLAACFCKEJ-BRWVUGGUSA-N 1 3 322.497 2.129 20 0 DEADHO CN(C[C@H](O)CN1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000351500182 404611206 /nfs/dbraw/zinc/61/12/06/404611206.db2.gz WTXAPPKJGMAXFH-MJGOQNOKSA-N 1 3 323.525 2.030 20 0 DEADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000567518420 292319743 /nfs/dbraw/zinc/31/97/43/292319743.db2.gz PWMOPQWOUIUWQH-YJBOKZPZSA-N 1 3 317.477 2.203 20 0 DEADHO CCN(Cc1ccc(C(=O)NCC2([NH3+])CCC2)cc1)C1CC1 ZINC000342599220 404670343 /nfs/dbraw/zinc/67/03/43/404670343.db2.gz UZOFMRPAYOMTNR-UHFFFAOYSA-N 1 3 301.434 2.282 20 0 DEADHO C[C@H]1[C@H](NC(=O)c2ccc(Nc3ccncc3)cc2)CCC[N@@H+]1C ZINC000345313865 404671210 /nfs/dbraw/zinc/67/12/10/404671210.db2.gz HGLOIUOBXFIZDG-KBXCAEBGSA-N 1 3 324.428 2.460 20 0 DEADHO C[C@H]1[C@H](NC(=O)c2ccc(Nc3ccncc3)cc2)CCC[N@H+]1C ZINC000345313865 404671212 /nfs/dbraw/zinc/67/12/12/404671212.db2.gz HGLOIUOBXFIZDG-KBXCAEBGSA-N 1 3 324.428 2.460 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)c2ccc(Nc3ccncc3)cc2)CCC[N@@H+]1C ZINC000345313866 404671270 /nfs/dbraw/zinc/67/12/70/404671270.db2.gz HGLOIUOBXFIZDG-KDOFPFPSSA-N 1 3 324.428 2.460 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)c2ccc(Nc3ccncc3)cc2)CCC[N@H+]1C ZINC000345313866 404671274 /nfs/dbraw/zinc/67/12/74/404671274.db2.gz HGLOIUOBXFIZDG-KDOFPFPSSA-N 1 3 324.428 2.460 20 0 DEADHO Fc1ccc(CCN2CCC([NH2+]C3CCNCC3)CC2)cc1 ZINC000414775992 404731599 /nfs/dbraw/zinc/73/15/99/404731599.db2.gz DWDYJHKNPOLBEB-UHFFFAOYSA-N 1 3 305.441 2.174 20 0 DEADHO C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CC[C@H](N3CCNCC3)C2)C1 ZINC000414780812 404733416 /nfs/dbraw/zinc/73/34/16/404733416.db2.gz HEQMJFRAZCBSQV-AABGKKOBSA-N 1 3 313.489 2.476 20 0 DEADHO C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CC[C@H](N3CCNCC3)C2)C1 ZINC000414780812 404733419 /nfs/dbraw/zinc/73/34/19/404733419.db2.gz HEQMJFRAZCBSQV-AABGKKOBSA-N 1 3 313.489 2.476 20 0 DEADHO COc1cc2c(cc1CN1CCC[C@@H]([C@H]3CC[NH2+]C3)C1)OCO2 ZINC000414783534 404734261 /nfs/dbraw/zinc/73/42/61/404734261.db2.gz PZDSGVDHPIGTIA-UONOGXRCSA-N 1 3 318.417 2.245 20 0 DEADHO O[C@@H]1C[NH2+]C[C@@H]1CNCC(Cc1ccccc1)Cc1ccccc1 ZINC000414787361 404735764 /nfs/dbraw/zinc/73/57/64/404735764.db2.gz MQLGEDQAQHCXRW-LEWJYISDSA-N 1 3 324.468 2.258 20 0 DEADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC(C)(C)N ZINC000414799238 404738840 /nfs/dbraw/zinc/73/88/40/404738840.db2.gz GGRNSGPYERJYEU-JTQLQIEISA-N 1 3 313.829 2.393 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000414803278 404739327 /nfs/dbraw/zinc/73/93/27/404739327.db2.gz WJADETQWOMTOIJ-SZMVWBNQSA-N 1 3 304.434 2.461 20 0 DEADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](C)CN(C)C)C1 ZINC000353105888 404743915 /nfs/dbraw/zinc/74/39/15/404743915.db2.gz AGNOSVLYUIINSW-CABCVRRESA-N 1 3 312.502 2.136 20 0 DEADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](C)CN(C)C)C1 ZINC000353105888 404743918 /nfs/dbraw/zinc/74/39/18/404743918.db2.gz AGNOSVLYUIINSW-CABCVRRESA-N 1 3 312.502 2.136 20 0 DEADHO C[C@@H](C(=O)NCCN(C)Cc1ccccc1)[NH+]1CCCCCC1 ZINC000357815434 404744739 /nfs/dbraw/zinc/74/47/39/404744739.db2.gz XVLZRKCSZBFLHY-KRWDZBQOSA-N 1 3 317.477 2.499 20 0 DEADHO C[C@H](C[NH3+])CN[C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000414885839 404758347 /nfs/dbraw/zinc/75/83/47/404758347.db2.gz XPGNCBMXKGAHPB-CHWSQXEVSA-N 1 3 311.857 2.261 20 0 DEADHO C[C@H](CN)C[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000414885839 404758351 /nfs/dbraw/zinc/75/83/51/404758351.db2.gz XPGNCBMXKGAHPB-CHWSQXEVSA-N 1 3 311.857 2.261 20 0 DEADHO [NH3+]CCCCNCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000414904712 404763156 /nfs/dbraw/zinc/76/31/56/404763156.db2.gz NHHLWYCPBITUGM-UHFFFAOYSA-N 1 3 314.220 2.403 20 0 DEADHO CCC1CN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000568226659 292323425 /nfs/dbraw/zinc/32/34/25/292323425.db2.gz GTTHHZTYRPPGAJ-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H](C(=O)NC1CCC(C)CC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358503416 404765238 /nfs/dbraw/zinc/76/52/38/404765238.db2.gz GCICKOQWICHXEE-PCKAHOCUSA-N 1 3 307.482 2.145 20 0 DEADHO CCc1nc(CN2CCN(C[C@H]3CC[NH2+][C@H](C)C3)CC2)cs1 ZINC000414684104 404708421 /nfs/dbraw/zinc/70/84/21/404708421.db2.gz CPERHJGOOCLRJP-CABCVRRESA-N 1 3 322.522 2.211 20 0 DEADHO CC(C)(CCc1ccccc1)[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000414704135 404711933 /nfs/dbraw/zinc/71/19/33/404711933.db2.gz JJUGTIQHSBLBHU-QGZVFWFLSA-N 1 3 317.477 2.185 20 0 DEADHO CCN(CC(=O)NCc1ccc(F)cc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414728427 404718293 /nfs/dbraw/zinc/71/82/93/404718293.db2.gz CLIHZHMXXOBZRV-ZBFHGGJFSA-N 1 3 321.440 2.152 20 0 DEADHO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414732242 404718923 /nfs/dbraw/zinc/71/89/23/404718923.db2.gz IHENPJYRYRLGRT-RBSFLKMASA-N 1 3 324.490 2.471 20 0 DEADHO Cc1ccc(C(=O)N2CCN(C[C@H]3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000414736029 404720476 /nfs/dbraw/zinc/72/04/76/404720476.db2.gz CNFJZTIAZQTDIS-IRXDYDNUSA-N 1 3 315.461 2.141 20 0 DEADHO C[C@@H]1C[C@@H](CN2CCC[C@H](Oc3ncccc3F)C2)CC[NH2+]1 ZINC000414740906 404721472 /nfs/dbraw/zinc/72/14/72/404721472.db2.gz KHUNGPMVBQLXHM-ILXRZTDVSA-N 1 3 307.413 2.452 20 0 DEADHO C[C@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)CC12CCCCC2 ZINC000414759499 404725681 /nfs/dbraw/zinc/72/56/81/404725681.db2.gz OMBOSZBTEPGDGE-IRXDYDNUSA-N 1 3 321.509 2.476 20 0 DEADHO C[C@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)CC12CCCCC2 ZINC000414759499 404725683 /nfs/dbraw/zinc/72/56/83/404725683.db2.gz OMBOSZBTEPGDGE-IRXDYDNUSA-N 1 3 321.509 2.476 20 0 DEADHO COC[C@@]1(C[NH2+][C@H](C)CCc2ccc(OC)c(O)c2)CCCN1 ZINC000414958630 404776356 /nfs/dbraw/zinc/77/63/56/404776356.db2.gz RHHFEBNPJFDMKS-KDOFPFPSSA-N 1 3 322.449 2.080 20 0 DEADHO COc1ccc(CNCCC[C@H]2CCC[NH2+]2)c(OC)c1OC ZINC000414966137 404778228 /nfs/dbraw/zinc/77/82/28/404778228.db2.gz GBWLKFGNVZGBFW-AWEZNQCLSA-N 1 3 308.422 2.334 20 0 DEADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000358865652 404778315 /nfs/dbraw/zinc/77/83/15/404778315.db2.gz NMAVBRYMUGMSEZ-JKIFEVAISA-N 1 3 321.440 2.247 20 0 DEADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000358865652 404778318 /nfs/dbraw/zinc/77/83/18/404778318.db2.gz NMAVBRYMUGMSEZ-JKIFEVAISA-N 1 3 321.440 2.247 20 0 DEADHO Cc1ccc(C)c(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000414990225 404782388 /nfs/dbraw/zinc/78/23/88/404782388.db2.gz RJTBSQSUJQVKHO-HNNXBMFYSA-N 1 3 315.383 2.229 20 0 DEADHO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000359237410 404787348 /nfs/dbraw/zinc/78/73/48/404787348.db2.gz PKGRMUAODRDZNI-INIZCTEOSA-N 1 3 324.513 2.233 20 0 DEADHO CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000353372933 404816202 /nfs/dbraw/zinc/81/62/02/404816202.db2.gz PRNMHHZMVZGMCG-MRXNPFEDSA-N 1 3 322.497 2.131 20 0 DEADHO [NH3+]CC1(O)CCN(Cc2ccccc2OC2CCCC2)CC1 ZINC000415140182 404817742 /nfs/dbraw/zinc/81/77/42/404817742.db2.gz JWFJFCLJEIUFOE-UHFFFAOYSA-N 1 3 304.434 2.294 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCCC12CCN(C)CC2 ZINC000360137866 404819667 /nfs/dbraw/zinc/81/96/67/404819667.db2.gz XVUXFKQUXLSIBY-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCCC12CCN(C)CC2 ZINC000360137866 404819670 /nfs/dbraw/zinc/81/96/70/404819670.db2.gz XVUXFKQUXLSIBY-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCCC12CCN(C)CC2 ZINC000360137867 404819728 /nfs/dbraw/zinc/81/97/28/404819728.db2.gz XVUXFKQUXLSIBY-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCCC12CCN(C)CC2 ZINC000360137867 404819730 /nfs/dbraw/zinc/81/97/30/404819730.db2.gz XVUXFKQUXLSIBY-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H]([NH2+]C(C)(C)CNC(=O)C(N)C(F)(F)F)c1ccccc1 ZINC000353441088 404832196 /nfs/dbraw/zinc/83/21/96/404832196.db2.gz DYYHYYVPDQRDLV-JQWIXIFHSA-N 1 3 317.355 2.122 20 0 DEADHO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccccc2CCN(C)C)C1 ZINC000415559915 404884625 /nfs/dbraw/zinc/88/46/25/404884625.db2.gz FLUPFFJZDDRXKN-OAHLLOKOSA-N 1 3 304.438 2.006 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000360897409 404847460 /nfs/dbraw/zinc/84/74/60/404847460.db2.gz XVPFHSKVLBPKTG-HZPDHXFCSA-N 1 3 312.502 2.090 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000360897409 404847462 /nfs/dbraw/zinc/84/74/62/404847462.db2.gz XVPFHSKVLBPKTG-HZPDHXFCSA-N 1 3 312.502 2.090 20 0 DEADHO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415881208 404961181 /nfs/dbraw/zinc/96/11/81/404961181.db2.gz HOPPUIZTUWJIBP-CYBMUJFWSA-N 1 3 304.438 2.184 20 0 DEADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415881208 404961185 /nfs/dbraw/zinc/96/11/85/404961185.db2.gz HOPPUIZTUWJIBP-CYBMUJFWSA-N 1 3 304.438 2.184 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C12CCCN1CCC2 ZINC000353760575 404961480 /nfs/dbraw/zinc/96/14/80/404961480.db2.gz JEUYOCUCZLABSI-INIZCTEOSA-N 1 3 307.482 2.386 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)C12CCCN1CCC2 ZINC000353760575 404961482 /nfs/dbraw/zinc/96/14/82/404961482.db2.gz JEUYOCUCZLABSI-INIZCTEOSA-N 1 3 307.482 2.386 20 0 DEADHO CCC[N@H+](CC)CCNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415886678 404962016 /nfs/dbraw/zinc/96/20/16/404962016.db2.gz VMYMYYRHNIWYSE-UHFFFAOYSA-N 1 3 304.438 2.186 20 0 DEADHO CCC[N@@H+](CC)CCNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415886678 404962023 /nfs/dbraw/zinc/96/20/23/404962023.db2.gz VMYMYYRHNIWYSE-UHFFFAOYSA-N 1 3 304.438 2.186 20 0 DEADHO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000415886156 404962650 /nfs/dbraw/zinc/96/26/50/404962650.db2.gz UDSQRMFOPRGJBI-CQSZACIVSA-N 1 3 316.449 2.138 20 0 DEADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000415886156 404962655 /nfs/dbraw/zinc/96/26/55/404962655.db2.gz UDSQRMFOPRGJBI-CQSZACIVSA-N 1 3 316.449 2.138 20 0 DEADHO CCCC[N@H+](C)CC1CCN(CCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000378439966 404964502 /nfs/dbraw/zinc/96/45/02/404964502.db2.gz XNVRMKLCMXQLBO-KDURUIRLSA-N 1 3 323.525 2.294 20 0 DEADHO CCCC[N@@H+](C)CC1CCN(CCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000378439966 404964505 /nfs/dbraw/zinc/96/45/05/404964505.db2.gz XNVRMKLCMXQLBO-KDURUIRLSA-N 1 3 323.525 2.294 20 0 DEADHO CN(C)[C@H](CNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000416797851 404914861 /nfs/dbraw/zinc/91/48/61/404914861.db2.gz BOHFRSRQIFRIPA-HYVNUMGLSA-N 1 3 318.465 2.106 20 0 DEADHO CCc1ccc([C@H](CNC(=O)NC[C@@H](C)C[NH2+]C)N(C)C)cc1 ZINC000416832531 404927732 /nfs/dbraw/zinc/92/77/32/404927732.db2.gz BZFXAEFGVRNXFA-YOEHRIQHSA-N 1 3 320.481 2.006 20 0 DEADHO CC[NH2+][C@H](C)CNC(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000416836621 404929182 /nfs/dbraw/zinc/92/91/82/404929182.db2.gz GULZMAIYKAMNSK-WBVHZDCISA-N 1 3 320.481 2.367 20 0 DEADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC000353705390 404931596 /nfs/dbraw/zinc/93/15/96/404931596.db2.gz GTNVNGIDDBXQFQ-WMZOPIPTSA-N 1 3 319.493 2.051 20 0 DEADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC000353705390 404931599 /nfs/dbraw/zinc/93/15/99/404931599.db2.gz GTNVNGIDDBXQFQ-WMZOPIPTSA-N 1 3 319.493 2.051 20 0 DEADHO C[C@H]([NH3+])c1ccc(NC(=O)Nc2ccnn2CCN(C)C)cc1 ZINC000415764673 404936471 /nfs/dbraw/zinc/93/64/71/404936471.db2.gz ZYBYLIDOOIOSKN-LBPRGKRZSA-N 1 3 316.409 2.108 20 0 DEADHO CCCN(C(=O)N[C@H](C)CN1CCCCC1)C1CC[NH2+]CC1 ZINC000417018436 405004322 /nfs/dbraw/zinc/00/43/22/405004322.db2.gz HXSOPAYCNUGXOQ-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO CCCN(C(=O)NCc1cccc(CN(C)C)c1)[C@H]1CC[NH2+]C1 ZINC000417064288 405024349 /nfs/dbraw/zinc/02/43/49/405024349.db2.gz JLTNXJUURJELKW-KRWDZBQOSA-N 1 3 318.465 2.032 20 0 DEADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000568288820 292329879 /nfs/dbraw/zinc/32/98/79/292329879.db2.gz KUFWPGKHGJYFPD-HZPDHXFCSA-N 1 3 312.502 2.122 20 0 DEADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000568288818 292330024 /nfs/dbraw/zinc/33/00/24/292330024.db2.gz KUFWPGKHGJYFPD-CVEARBPZSA-N 1 3 312.502 2.122 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)N1C[C@@H](C)NC[C@@H]1C)CC(C)C ZINC000416961415 404978333 /nfs/dbraw/zinc/97/83/33/404978333.db2.gz SDCGDEHHKNTQTN-PMPSAXMXSA-N 1 3 312.502 2.135 20 0 DEADHO C[C@H](CNC(=O)N1CCCC[C@H]1[C@H](C)[NH3+])N1CCC[C@@H](C)C1 ZINC000417003167 404994966 /nfs/dbraw/zinc/99/49/66/404994966.db2.gz BFDJNCOCDUUSNX-WCVJEAGWSA-N 1 3 310.486 2.018 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)N1CCN[C@H](C)C1)c1ccsc1 ZINC000417008634 404999093 /nfs/dbraw/zinc/99/90/93/404999093.db2.gz MFQQUODSATXMKP-HIFRSBDPSA-N 1 3 324.494 2.134 20 0 DEADHO CCCN(C(=O)NC[C@@H](C)N1CCC[C@H](C)C1)C1CC[NH2+]CC1 ZINC000417009046 404999162 /nfs/dbraw/zinc/99/91/62/404999162.db2.gz JTTMDDTYZBQVEF-JKSUJKDBSA-N 1 3 324.513 2.280 20 0 DEADHO CCN(CCC(=O)Nc1ccc(OC)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435630597 404999316 /nfs/dbraw/zinc/99/93/16/404999316.db2.gz XQPUHMSARZPOAG-INIZCTEOSA-N 1 3 319.449 2.488 20 0 DEADHO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1)[C@H]1CCCNCC1 ZINC000435630597 404999320 /nfs/dbraw/zinc/99/93/20/404999320.db2.gz XQPUHMSARZPOAG-INIZCTEOSA-N 1 3 319.449 2.488 20 0 DEADHO CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1)[C@H]1CCCNCC1 ZINC000435630597 404999323 /nfs/dbraw/zinc/99/93/23/404999323.db2.gz XQPUHMSARZPOAG-INIZCTEOSA-N 1 3 319.449 2.488 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000417733949 405095451 /nfs/dbraw/zinc/09/54/51/405095451.db2.gz JMDHNJJHUXBDFW-VNHYZAJKSA-N 1 3 324.494 2.168 20 0 DEADHO COC(=O)CC1CC([NH2+]Cc2ccc(OCCN(C)C)cc2)C1 ZINC000424264785 405051996 /nfs/dbraw/zinc/05/19/96/405051996.db2.gz IVKFTGKDBBKKRR-UHFFFAOYSA-N 1 3 320.433 2.058 20 0 DEADHO C[C@@H]1CC2(CN1CC(=O)N(C)c1ccccc1)CC[NH2+]CC2 ZINC000424296581 405060963 /nfs/dbraw/zinc/06/09/63/405060963.db2.gz RYYHTEDCJKPKNL-OAHLLOKOSA-N 1 3 301.434 2.113 20 0 DEADHO COc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000436242766 405062626 /nfs/dbraw/zinc/06/26/26/405062626.db2.gz ORGPZCALADLMHF-HUUCEWRRSA-N 1 3 307.438 2.069 20 0 DEADHO COCC[NH+]1CCC(NCc2c[nH]nc2-c2ccsc2)CC1 ZINC000436273287 405066101 /nfs/dbraw/zinc/06/61/01/405066101.db2.gz JKIHBWUDHSQYPZ-UHFFFAOYSA-N 1 3 320.462 2.339 20 0 DEADHO COC1(CN2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CCCC1 ZINC000361558443 405130616 /nfs/dbraw/zinc/13/06/16/405130616.db2.gz WWTGTAHVCUQHLA-HDICACEKSA-N 1 3 323.525 2.436 20 0 DEADHO COC1(CN2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CCCC1 ZINC000361558443 405130620 /nfs/dbraw/zinc/13/06/20/405130620.db2.gz WWTGTAHVCUQHLA-HDICACEKSA-N 1 3 323.525 2.436 20 0 DEADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NC(C)(C)C[NH3+] ZINC000418035648 405109634 /nfs/dbraw/zinc/10/96/34/405109634.db2.gz PPNZOYUMDQNWAF-MRXNPFEDSA-N 1 3 320.481 2.180 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)N(C)C1CC1 ZINC000361512022 405109974 /nfs/dbraw/zinc/10/99/74/405109974.db2.gz WOCZWKOCVFRVOJ-HUUCEWRRSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)N(C)C1CC1 ZINC000361512022 405109975 /nfs/dbraw/zinc/10/99/75/405109975.db2.gz WOCZWKOCVFRVOJ-HUUCEWRRSA-N 1 3 307.482 2.240 20 0 DEADHO CC[NH2+][C@H](C)CNC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000418169593 405114119 /nfs/dbraw/zinc/11/41/19/405114119.db2.gz MYDYIFAYQIUCRV-MRXNPFEDSA-N 1 3 324.513 2.330 20 0 DEADHO C[NH2+]C[C@H](C)CNC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000418161578 405114946 /nfs/dbraw/zinc/11/49/46/405114946.db2.gz BYZKPYZIWQMSKE-JLJPHGGASA-N 1 3 320.481 2.141 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(CC3CCCCC3)CC2)CC[NH2+]1 ZINC000418601056 405134687 /nfs/dbraw/zinc/13/46/87/405134687.db2.gz LHPTXPSCIAZFIF-WBVHZDCISA-N 1 3 322.497 2.034 20 0 DEADHO CN1CCC2(CCCN2C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418633329 405144311 /nfs/dbraw/zinc/14/43/11/405144311.db2.gz DFAMWGQGODRQIY-HNNXBMFYSA-N 1 3 322.497 2.034 20 0 DEADHO CC[C@@H]([NH3+])CNC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000418715902 405178659 /nfs/dbraw/zinc/17/86/59/405178659.db2.gz RRFWBPSTUPCWAI-MRXNPFEDSA-N 1 3 318.465 2.030 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418715713 405179311 /nfs/dbraw/zinc/17/93/11/405179311.db2.gz ITKKMDACYOVATL-HZPDHXFCSA-N 1 3 324.513 2.267 20 0 DEADHO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000452114778 405175981 /nfs/dbraw/zinc/17/59/81/405175981.db2.gz ALZVWPZAHMQZDC-VVLHAWIVSA-N 1 3 309.498 2.342 20 0 DEADHO CC[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccsc1 ZINC000453089679 405282879 /nfs/dbraw/zinc/28/28/79/405282879.db2.gz BLHRSRUYVKCMEZ-DZGCQCFKSA-N 1 3 309.479 2.376 20 0 DEADHO CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)C1(C)C ZINC000368155221 405230259 /nfs/dbraw/zinc/23/02/59/405230259.db2.gz YKFUUSWKNQWKAX-BPQIPLTHSA-N 1 3 323.525 2.337 20 0 DEADHO CN(C)CCOc1ccc(CC[NH2+]CC[C@H]2CCOC2)cc1 ZINC000438219494 405237885 /nfs/dbraw/zinc/23/78/85/405237885.db2.gz MDBGSOFXOIASDF-KRWDZBQOSA-N 1 3 306.450 2.186 20 0 DEADHO c1ccc(OCCN2CCN(CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000420298781 405310765 /nfs/dbraw/zinc/31/07/65/405310765.db2.gz HSEOFBIIEITPAI-GOSISDBHSA-N 1 3 317.477 2.073 20 0 DEADHO O=C(c1ccccc1)N1CCCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420299016 405310929 /nfs/dbraw/zinc/31/09/29/405310929.db2.gz GAQQALQKPQEWLD-QGZVFWFLSA-N 1 3 315.461 2.224 20 0 DEADHO CO[C@@]1(C)C[C@H]([N@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)C1(C)C ZINC000420301120 405311619 /nfs/dbraw/zinc/31/16/19/405311619.db2.gz LAXYAQPHNUWFHP-DWRORGKVSA-N 1 3 320.477 2.053 20 0 DEADHO CO[C@@]1(C)C[C@H]([N@@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)C1(C)C ZINC000420301120 405311621 /nfs/dbraw/zinc/31/16/21/405311621.db2.gz LAXYAQPHNUWFHP-DWRORGKVSA-N 1 3 320.477 2.053 20 0 DEADHO CO[C@@]1(C)C[C@H](N(C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1(C)C ZINC000420301120 405311623 /nfs/dbraw/zinc/31/16/23/405311623.db2.gz LAXYAQPHNUWFHP-DWRORGKVSA-N 1 3 320.477 2.053 20 0 DEADHO COC(=O)c1ccc(F)c(CN2CCC3(C2)CC[NH2+]CC3)c1 ZINC000420306990 405312906 /nfs/dbraw/zinc/31/29/06/405312906.db2.gz LNJFWPNCZICZKM-UHFFFAOYSA-N 1 3 306.381 2.188 20 0 DEADHO CC1CCC(NC(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000420330625 405321964 /nfs/dbraw/zinc/32/19/64/405321964.db2.gz AZHQRRDWBJHGGV-VUROTCPHSA-N 1 3 307.482 2.003 20 0 DEADHO O=C1[C@H](N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCN1c1ccccc1 ZINC000420330554 405322306 /nfs/dbraw/zinc/32/23/06/405322306.db2.gz QCDFZEROVMOZCW-XYJFISCASA-N 1 3 313.445 2.113 20 0 DEADHO C[C@H](C(=O)N(C)c1ccccc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420332498 405322528 /nfs/dbraw/zinc/32/25/28/405322528.db2.gz DAYHMSVSGFFEIJ-ZACQAIPSSA-N 1 3 315.461 2.359 20 0 DEADHO CC1CCC(N(C)C(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000420333197 405323326 /nfs/dbraw/zinc/32/33/26/405323326.db2.gz FEEAZJLMKODWPR-QLOLRVAOSA-N 1 3 321.509 2.345 20 0 DEADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)NCC1CCCCC1 ZINC000420341416 405325749 /nfs/dbraw/zinc/32/57/49/405325749.db2.gz OFOGOVVNGFRJCR-SJORKVTESA-N 1 3 307.482 2.004 20 0 DEADHO CCc1ccccc1NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420341784 405325854 /nfs/dbraw/zinc/32/58/54/405325854.db2.gz QFAOUIYVDQALJV-IYBDPMFKSA-N 1 3 301.434 2.119 20 0 DEADHO CN(Cc1cccs1)C(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420345792 405326930 /nfs/dbraw/zinc/32/69/30/405326930.db2.gz WRAREYMQQDJVNC-HUUCEWRRSA-N 1 3 321.490 2.028 20 0 DEADHO CC1CCN(CCNC(=O)NCCCCC[NH+]2CCCC2)CC1 ZINC000454324557 405328880 /nfs/dbraw/zinc/32/88/80/405328880.db2.gz QGUWOBLJTZSTNN-UHFFFAOYSA-N 1 3 324.513 2.284 20 0 DEADHO [NH3+]CCOCCN1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000420362137 405332484 /nfs/dbraw/zinc/33/24/84/405332484.db2.gz ALLZWPKBCLELIA-CYBMUJFWSA-N 1 3 309.479 2.177 20 0 DEADHO [NH3+]CCOCCN1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000420369410 405334902 /nfs/dbraw/zinc/33/49/02/405334902.db2.gz IXNNVTYPYVKPLU-CQSZACIVSA-N 1 3 312.841 2.406 20 0 DEADHO [NH3+][C@H]1CCO[C@@H](C2CCN(CCOc3ccccc3F)CC2)C1 ZINC000420379050 405338386 /nfs/dbraw/zinc/33/83/86/405338386.db2.gz AKRUTVUQSWYJGP-MAUKXSAKSA-N 1 3 322.424 2.423 20 0 DEADHO Cc1ncsc1CCN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420383534 405339479 /nfs/dbraw/zinc/33/94/79/405339479.db2.gz QXNQTPZHIGZGLX-HOCLYGCPSA-N 1 3 309.479 2.212 20 0 DEADHO CC(CN(C)CC1(O)CCCC1)C[N@H+](C)CC1(O)CCCC1 ZINC000443870057 405339927 /nfs/dbraw/zinc/33/99/27/405339927.db2.gz SEAHLWZQFJNOEH-UHFFFAOYSA-N 1 3 312.498 2.096 20 0 DEADHO CC(CN(C)CC1(O)CCCC1)C[N@@H+](C)CC1(O)CCCC1 ZINC000443870057 405339929 /nfs/dbraw/zinc/33/99/29/405339929.db2.gz SEAHLWZQFJNOEH-UHFFFAOYSA-N 1 3 312.498 2.096 20 0 DEADHO NCc1cn([C@@H]2CCC[N@H+](CCCc3ccsc3)C2)nn1 ZINC000420390281 405341994 /nfs/dbraw/zinc/34/19/94/405341994.db2.gz ZGGXQGXPBFPPQG-OAHLLOKOSA-N 1 3 305.451 2.068 20 0 DEADHO NCc1cn([C@@H]2CCC[N@@H+](CCCc3ccsc3)C2)nn1 ZINC000420390281 405341997 /nfs/dbraw/zinc/34/19/97/405341997.db2.gz ZGGXQGXPBFPPQG-OAHLLOKOSA-N 1 3 305.451 2.068 20 0 DEADHO CC(=O)c1c(C)cc(C)c(CN2CCC(O)(C[NH3+])CC2)c1C ZINC000420399009 405343908 /nfs/dbraw/zinc/34/39/08/405343908.db2.gz AXLPFFJIVSUEEO-UHFFFAOYSA-N 1 3 304.434 2.100 20 0 DEADHO CN(C[C@H]1CCCN1C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000420757899 405379444 /nfs/dbraw/zinc/37/94/44/405379444.db2.gz GQJLEYXNCWCANP-CQSZACIVSA-N 1 3 310.486 2.031 20 0 DEADHO CN(C[C@@H]1CCCN1C)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000420782192 405383294 /nfs/dbraw/zinc/38/32/94/405383294.db2.gz COZGYYIDTBRBMH-KRWDZBQOSA-N 1 3 324.513 2.378 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@H]1CCCN1C ZINC000420785914 405383836 /nfs/dbraw/zinc/38/38/36/405383836.db2.gz IQJIOIHJDXTPKJ-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@H]1CCCN1C ZINC000420785914 405383837 /nfs/dbraw/zinc/38/38/37/405383837.db2.gz IQJIOIHJDXTPKJ-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)C[C@@H]1CCCN1C ZINC000420785513 405383847 /nfs/dbraw/zinc/38/38/47/405383847.db2.gz UPTZVSQLPXIJCJ-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(C)C[C@@H]1CCCN1C ZINC000420785513 405383850 /nfs/dbraw/zinc/38/38/50/405383850.db2.gz UPTZVSQLPXIJCJ-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO CN(C[C@H]1CCCN1C)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000420814905 405389732 /nfs/dbraw/zinc/38/97/32/405389732.db2.gz XLUCJHQDJWTJCE-QGZVFWFLSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCCN(CCCOc2ccc3c(c2)OCO3)C1 ZINC000430584742 405461649 /nfs/dbraw/zinc/46/16/49/405461649.db2.gz PZGKMTUPRSAKIV-KBPBESRZSA-N 1 3 306.406 2.243 20 0 DEADHO C[C@H](N)[C@H]1CCCC[N@@H+]1CCCOc1ccc2c(c1)OCO2 ZINC000430635378 405474284 /nfs/dbraw/zinc/47/42/84/405474284.db2.gz GTZQQNOLHAZZTF-DZGCQCFKSA-N 1 3 306.406 2.386 20 0 DEADHO C[C@H](N)[C@H]1CCCC[N@H+]1CCCOc1ccc2c(c1)OCO2 ZINC000430635378 405474293 /nfs/dbraw/zinc/47/42/93/405474293.db2.gz GTZQQNOLHAZZTF-DZGCQCFKSA-N 1 3 306.406 2.386 20 0 DEADHO C[NH+](C)Cc1cccc(CNC[C@@H](O)COc2ccccc2)c1 ZINC000577721664 405499778 /nfs/dbraw/zinc/49/97/78/405499778.db2.gz ZDHLFCJXWFOIDI-GOSISDBHSA-N 1 3 314.429 2.278 20 0 DEADHO CC(C)C[C@@H](CN(C)C)NC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449332304 405523562 /nfs/dbraw/zinc/52/35/62/405523562.db2.gz QWIHJISNELTWLQ-PKOBYXMFSA-N 1 3 317.477 2.010 20 0 DEADHO Cc1ccc(CN(C)C)cc1NC(=O)COC1CCC([NH3+])CC1 ZINC000449367703 405529545 /nfs/dbraw/zinc/52/95/45/405529545.db2.gz YCIXKXUGWJPZPQ-UHFFFAOYSA-N 1 3 319.449 2.282 20 0 DEADHO Cc1ccc(CNC(=O)[C@H](C)N2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000430924982 405529877 /nfs/dbraw/zinc/52/98/77/405529877.db2.gz CDVJSOSSGKHHRA-GJZGRUSLSA-N 1 3 303.450 2.059 20 0 DEADHO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CCC2(CC[NH2+]C2)CC1 ZINC000431038326 405565359 /nfs/dbraw/zinc/56/53/59/405565359.db2.gz RYPQLEIZLAQYBM-OWCLPIDISA-N 1 3 307.482 2.145 20 0 DEADHO COc1ccc(CN2CCC3(CC[NH2+]C3)CC2)c(OC)c1OC ZINC000430938970 405536822 /nfs/dbraw/zinc/53/68/22/405536822.db2.gz DSXDXCWFOBOFSC-UHFFFAOYSA-N 1 3 320.433 2.288 20 0 DEADHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)COc2cccc(CC)c2)C1 ZINC000577947837 405541484 /nfs/dbraw/zinc/54/14/84/405541484.db2.gz DIXPPQUSSUIXAK-ROUUACIJSA-N 1 3 320.477 2.310 20 0 DEADHO C[C@@H]([NH3+])C1CCN(CC(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000430955148 405546177 /nfs/dbraw/zinc/54/61/77/405546177.db2.gz YKTMDRXLBVGTHU-OAHLLOKOSA-N 1 3 315.461 2.237 20 0 DEADHO C[N@@H+]1CCC[C@H](CCNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000458699788 405547505 /nfs/dbraw/zinc/54/75/05/405547505.db2.gz CTCDUXXUTJCQCA-WBVHZDCISA-N 1 3 322.497 2.034 20 0 DEADHO C[N@H+]1CCC[C@H](CCNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000458699788 405547512 /nfs/dbraw/zinc/54/75/12/405547512.db2.gz CTCDUXXUTJCQCA-WBVHZDCISA-N 1 3 322.497 2.034 20 0 DEADHO C[N@@H+]1CCC[C@@H](CCNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000458699782 405548571 /nfs/dbraw/zinc/54/85/71/405548571.db2.gz CTCDUXXUTJCQCA-DOTOQJQBSA-N 1 3 322.497 2.034 20 0 DEADHO C[N@H+]1CCC[C@@H](CCNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000458699782 405548575 /nfs/dbraw/zinc/54/85/75/405548575.db2.gz CTCDUXXUTJCQCA-DOTOQJQBSA-N 1 3 322.497 2.034 20 0 DEADHO CCc1ccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000580049359 405574179 /nfs/dbraw/zinc/57/41/79/405574179.db2.gz LAQWDQYBHNUJGV-ZDUSSCGKSA-N 1 3 321.412 2.236 20 0 DEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCNC(=O)/C=C\c1ccccc1 ZINC000493824794 405576797 /nfs/dbraw/zinc/57/67/97/405576797.db2.gz ZXCTVVRJGSYVGT-ILJUCERVSA-N 1 3 315.461 2.184 20 0 DEADHO CCCN1CC[C@@H](NC(=O)N2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000633355947 405590701 /nfs/dbraw/zinc/59/07/01/405590701.db2.gz DBVKVSJWFOGPEI-MRXNPFEDSA-N 1 3 322.497 2.131 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(C)CC3)CC2)CC1 ZINC000557426708 405596406 /nfs/dbraw/zinc/59/64/06/405596406.db2.gz ULFJVSSODNLSOX-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C)[C@H](CNC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)OC ZINC000638747155 405647617 /nfs/dbraw/zinc/64/76/17/405647617.db2.gz BCNMZQZOZCQNFY-RANZSIQMSA-N 1 3 312.498 2.405 20 0 DEADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCCN3CCC(O)CC3)CC2)C1 ZINC000449646923 405658331 /nfs/dbraw/zinc/65/83/31/405658331.db2.gz OUTFGQYVUCKKOB-FUHWJXTLSA-N 1 3 323.525 2.076 20 0 DEADHO COCC(C)(C)C[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000494190633 405659043 /nfs/dbraw/zinc/65/90/43/405659043.db2.gz CKZLJZGZUIMPSE-KRWDZBQOSA-N 1 3 306.450 2.015 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000580713827 405671426 /nfs/dbraw/zinc/67/14/26/405671426.db2.gz ABVBFNLJVLYZEB-SJORKVTESA-N 1 3 321.509 2.486 20 0 DEADHO O=C1NCCN(CCC2CC[NH2+]CC2)[C@H]1CC1CCCCC1 ZINC000422628532 405674297 /nfs/dbraw/zinc/67/42/97/405674297.db2.gz AXHQDMXZOJMWSS-KRWDZBQOSA-N 1 3 307.482 2.147 20 0 DEADHO C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1F)CN1CCCCC1 ZINC000582176427 405685476 /nfs/dbraw/zinc/68/54/76/405685476.db2.gz SRRIGVRHWDWZTP-HZPDHXFCSA-N 1 3 324.440 2.277 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H]1SCCc2ccccc21 ZINC000422842096 405686520 /nfs/dbraw/zinc/68/65/20/405686520.db2.gz XOSOAQXWYNHIQP-SJWGOKEGSA-N 1 3 306.475 2.359 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000422842096 405686524 /nfs/dbraw/zinc/68/65/24/405686524.db2.gz XOSOAQXWYNHIQP-SJWGOKEGSA-N 1 3 306.475 2.359 20 0 DEADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NC1CCN(C)CC1 ZINC000431869854 405688413 /nfs/dbraw/zinc/68/84/13/405688413.db2.gz GYRNGYBJCFLVAK-NVXWUHKLSA-N 1 3 324.513 2.280 20 0 DEADHO Cc1cccc(N2CCC([NH2+][C@H]3CCCC[C@H]3CN)CC2)n1 ZINC000422771700 405682163 /nfs/dbraw/zinc/68/21/63/405682163.db2.gz YGMRUHGETJFQRL-RDJZCZTQSA-N 1 3 302.466 2.466 20 0 DEADHO C[C@@H]([NH3+])CC(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000638831983 405700690 /nfs/dbraw/zinc/70/06/90/405700690.db2.gz OCVFERNHYSBVSV-ZWNOBZJWSA-N 1 3 317.355 2.162 20 0 DEADHO C[C@@H](CNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)N(C)C ZINC000459040592 405710091 /nfs/dbraw/zinc/71/00/91/405710091.db2.gz MAOWBYGCEIHPLW-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H](CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)N(C)C ZINC000459040592 405710099 /nfs/dbraw/zinc/71/00/99/405710099.db2.gz MAOWBYGCEIHPLW-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO CCCOc1c(OC)cc(CCN[C@@H](C)C2C[NH2+]C2)cc1OC ZINC000423150510 405703281 /nfs/dbraw/zinc/70/32/81/405703281.db2.gz ITNBWPOFHJQGPO-ZDUSSCGKSA-N 1 3 322.449 2.233 20 0 DEADHO CCCOc1c(OC)cc(CC[NH2+][C@@H](C)C2CNC2)cc1OC ZINC000423150510 405703286 /nfs/dbraw/zinc/70/32/86/405703286.db2.gz ITNBWPOFHJQGPO-ZDUSSCGKSA-N 1 3 322.449 2.233 20 0 DEADHO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000449708791 405703670 /nfs/dbraw/zinc/70/36/70/405703670.db2.gz WORQWSFEHVYFKR-QGZVFWFLSA-N 1 3 315.461 2.400 20 0 DEADHO C[C@H]1CCN(CCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000558853551 405704896 /nfs/dbraw/zinc/70/48/96/405704896.db2.gz JNQIWOMLXKMCPF-INIZCTEOSA-N 1 3 315.461 2.354 20 0 DEADHO CCOC(=O)C1([C@@H](C)NCc2cnc(C)cc2C)CC[NH2+]CC1 ZINC000423162831 405708084 /nfs/dbraw/zinc/70/80/84/405708084.db2.gz QIVGXDYKXRZIPK-OAHLLOKOSA-N 1 3 319.449 2.109 20 0 DEADHO C[C@H](CC(=O)N(C)c1ccccc1)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000423207513 405722633 /nfs/dbraw/zinc/72/26/33/405722633.db2.gz CVCGKTZWMYHPOF-OAGGEKHMSA-N 1 3 303.450 2.406 20 0 DEADHO C[C@H]1CCN[C@H](C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000423313804 405757838 /nfs/dbraw/zinc/75/78/38/405757838.db2.gz UXXKJAWTPKSQKD-YJBOKZPZSA-N 1 3 315.461 2.287 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000423365333 405777644 /nfs/dbraw/zinc/77/76/44/405777644.db2.gz BNGGHNYHWXBHKH-RDBSUJKOSA-N 1 3 305.422 2.142 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000423365333 405777651 /nfs/dbraw/zinc/77/76/51/405777651.db2.gz BNGGHNYHWXBHKH-RDBSUJKOSA-N 1 3 305.422 2.142 20 0 DEADHO C[C@@H](NC(C)(C)CNC(=O)CC1(C[NH3+])CC1)c1ccccc1 ZINC000423376618 405782297 /nfs/dbraw/zinc/78/22/97/405782297.db2.gz JNAJAIMXWAJPEF-CQSZACIVSA-N 1 3 303.450 2.361 20 0 DEADHO C[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(F)c1 ZINC000423384825 405785215 /nfs/dbraw/zinc/78/52/15/405785215.db2.gz KGSHGUMZLHMTQV-BXUZGUMPSA-N 1 3 319.346 2.312 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)CS1 ZINC000638976145 405791973 /nfs/dbraw/zinc/79/19/73/405791973.db2.gz FPARBDVWAMRAIW-KBRIMQKVSA-N 1 3 306.475 2.237 20 0 DEADHO Cc1cc(NC(=O)C2(C)C[NH2+]C2)ccc1OCCN1CCCC1 ZINC000423409594 405796664 /nfs/dbraw/zinc/79/66/64/405796664.db2.gz BZZCYAVBBAHLGQ-UHFFFAOYSA-N 1 3 317.433 2.018 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](N)CC2CCCCC2)C1 ZINC000423420232 405799024 /nfs/dbraw/zinc/79/90/24/405799024.db2.gz AHRRLFJDNYLDHL-DLBZAZTESA-N 1 3 309.498 2.474 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](N)CC2CCCCC2)C1 ZINC000423420232 405799031 /nfs/dbraw/zinc/79/90/31/405799031.db2.gz AHRRLFJDNYLDHL-DLBZAZTESA-N 1 3 309.498 2.474 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423437536 405806377 /nfs/dbraw/zinc/80/63/77/405806377.db2.gz UHXYPCMYEBNECF-XKQJLSEDSA-N 1 3 301.434 2.405 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000639006759 405818036 /nfs/dbraw/zinc/81/80/36/405818036.db2.gz ZBSTVERDBVEICX-FUHWJXTLSA-N 1 3 315.461 2.075 20 0 DEADHO COc1cc([C@H](C)NCC2=CC[NH2+]CC2)cc(OC)c1OC ZINC000423329727 405763550 /nfs/dbraw/zinc/76/35/50/405763550.db2.gz BLESNZRKWPKMNM-LBPRGKRZSA-N 1 3 306.406 2.283 20 0 DEADHO C[NH2+]CCc1ccccc1C(=O)NCCN1CCCC[C@H]1C ZINC000423337148 405765061 /nfs/dbraw/zinc/76/50/61/405765061.db2.gz TVCBHOMFPMPOQG-OAHLLOKOSA-N 1 3 303.450 2.053 20 0 DEADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](N)C1CCC1 ZINC000423339232 405767316 /nfs/dbraw/zinc/76/73/16/405767316.db2.gz SESMXCCVKKUPDI-KRWDZBQOSA-N 1 3 303.450 2.270 20 0 DEADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](N)C1CCC1 ZINC000423339232 405767320 /nfs/dbraw/zinc/76/73/20/405767320.db2.gz SESMXCCVKKUPDI-KRWDZBQOSA-N 1 3 303.450 2.270 20 0 DEADHO COc1cc(NC(C)=O)ccc1[C@@H](C)NCC1=CC[NH2+]CC1 ZINC000423339515 405767597 /nfs/dbraw/zinc/76/75/97/405767597.db2.gz IXLOVIRKXSSANA-GFCCVEGCSA-N 1 3 303.406 2.224 20 0 DEADHO C[C@@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)[C@@H]2CCCC[C@@H]12 ZINC000560957223 405879705 /nfs/dbraw/zinc/87/97/05/405879705.db2.gz NZEAIAVNYRFMCH-LTIDMASMSA-N 1 3 307.482 2.084 20 0 DEADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)[C@@H]2CCCC[C@@H]12 ZINC000560957223 405879710 /nfs/dbraw/zinc/87/97/10/405879710.db2.gz NZEAIAVNYRFMCH-LTIDMASMSA-N 1 3 307.482 2.084 20 0 DEADHO C[C@H](CCN1CCC2(CCO2)CC1)[NH+]1CCC2(CCO2)CC1 ZINC000560930233 405880172 /nfs/dbraw/zinc/88/01/72/405880172.db2.gz FIZNDYVSEXJBDU-MRXNPFEDSA-N 1 3 308.466 2.275 20 0 DEADHO CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)CN2CCCC2)[C@]12CCCO2 ZINC000639101777 405882506 /nfs/dbraw/zinc/88/25/06/405882506.db2.gz DWFDFDZZFHOUJR-JFIYKMOQSA-N 1 3 310.482 2.425 20 0 DEADHO CC(C)N1CC[C@@H](N(C)C(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000457531215 405884927 /nfs/dbraw/zinc/88/49/27/405884927.db2.gz IJHGRADZPJAAKI-QGZVFWFLSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459309277 405846040 /nfs/dbraw/zinc/84/60/40/405846040.db2.gz NDUOOXONIKKOLO-CVEARBPZSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459309277 405846047 /nfs/dbraw/zinc/84/60/47/405846047.db2.gz NDUOOXONIKKOLO-CVEARBPZSA-N 1 3 324.513 2.090 20 0 DEADHO CN[C@H](CC(C)(C)C)C(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000639068127 405857640 /nfs/dbraw/zinc/85/76/40/405857640.db2.gz QXPATJUUMGUBDX-UKRRQHHQSA-N 1 3 303.450 2.490 20 0 DEADHO COC(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1 ZINC000496374810 405967005 /nfs/dbraw/zinc/96/70/05/405967005.db2.gz MIPPCNZYHUMOAM-OWCLPIDISA-N 1 3 309.454 2.118 20 0 DEADHO C[NH+](C)Cc1ccc(CNC(=O)C[C@H](N)c2ccccc2)cc1 ZINC000423736605 405936295 /nfs/dbraw/zinc/93/62/95/405936295.db2.gz SPAYBRSIOIFRSZ-SFHVURJKSA-N 1 3 311.429 2.455 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)C[C@@H]2CCC[NH2+]CC2)cc1 ZINC000423735133 405936436 /nfs/dbraw/zinc/93/64/36/405936436.db2.gz RPGSTFGFIPTDPC-OAHLLOKOSA-N 1 3 303.450 2.144 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(C(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC000531288018 405938653 /nfs/dbraw/zinc/93/86/53/405938653.db2.gz VXDWOAMALMZUJU-HZPDHXFCSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(C(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC000531288018 405938661 /nfs/dbraw/zinc/93/86/61/405938661.db2.gz VXDWOAMALMZUJU-HZPDHXFCSA-N 1 3 309.498 2.438 20 0 DEADHO Cc1cc(CN(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)sn1 ZINC000639172227 405943924 /nfs/dbraw/zinc/94/39/24/405943924.db2.gz JEOIFNZHXSIVCM-HNNXBMFYSA-N 1 3 308.495 2.052 20 0 DEADHO C[C@@H]([NH3+])CCC(=O)N(CCCc1ccccc1)CCN(C)C ZINC000423752762 405946287 /nfs/dbraw/zinc/94/62/87/405946287.db2.gz WFRQPELPMYEVNO-MRXNPFEDSA-N 1 3 305.466 2.137 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)CCC1CC[NH2+]CC1 ZINC000423773335 405956249 /nfs/dbraw/zinc/95/62/49/405956249.db2.gz LTCXLPUWIYGXHK-UHFFFAOYSA-N 1 3 323.506 2.418 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000423773967 405956866 /nfs/dbraw/zinc/95/68/66/405956866.db2.gz KFZFADJXCMSIQI-LAQRGFTBSA-N 1 3 315.461 2.011 20 0 DEADHO O=C(CNCC1CC1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423777440 405960611 /nfs/dbraw/zinc/96/06/11/405960611.db2.gz RIUYMRDUEHVDPB-UHFFFAOYSA-N 1 3 301.434 2.263 20 0 DEADHO CO[C@@H](CNCCC[N@@H+]1CCCO[C@@H](C)C1)Cc1ccccc1 ZINC000639121238 405900226 /nfs/dbraw/zinc/90/02/26/405900226.db2.gz OBRXAHMVFRIMGZ-PKOBYXMFSA-N 1 3 320.477 2.335 20 0 DEADHO CO[C@@H](CNCCC[N@H+]1CCCO[C@@H](C)C1)Cc1ccccc1 ZINC000639121238 405900227 /nfs/dbraw/zinc/90/02/27/405900227.db2.gz OBRXAHMVFRIMGZ-PKOBYXMFSA-N 1 3 320.477 2.335 20 0 DEADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccccc1CN(C)C ZINC000433300673 405916451 /nfs/dbraw/zinc/91/64/51/405916451.db2.gz UBBLBFCCJPHPPY-MRXNPFEDSA-N 1 3 305.466 2.454 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cccc(N2CCOC2=O)c1 ZINC000497142179 406015677 /nfs/dbraw/zinc/01/56/77/406015677.db2.gz FLQIPODGBFIBRC-HOCLYGCPSA-N 1 3 303.406 2.250 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccccc2CO)[C@@H](C)C1 ZINC000531952705 406027905 /nfs/dbraw/zinc/02/79/05/406027905.db2.gz NOOBXJRFGVVGQY-QFBILLFUSA-N 1 3 320.477 2.406 20 0 DEADHO CC[C@H]([NH2+]CCCCN1CCN(CC)CC1)C1CCOCC1 ZINC000531685203 405993703 /nfs/dbraw/zinc/99/37/03/405993703.db2.gz RTVZUHGQQNMCSS-SFHVURJKSA-N 1 3 311.514 2.199 20 0 DEADHO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000433948924 406001995 /nfs/dbraw/zinc/00/19/95/406001995.db2.gz HKWMTZRMTYPUHB-HOTGVXAUSA-N 1 3 320.481 2.493 20 0 DEADHO COc1cccc2c1CC[C@H]2[NH2+]CCCCN1CCN(C)CC1 ZINC000532196747 406055245 /nfs/dbraw/zinc/05/52/45/406055245.db2.gz NAGRAKOTUVKDBP-GOSISDBHSA-N 1 3 317.477 2.300 20 0 DEADHO N[C@H]1CCC[C@@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000565593399 406074223 /nfs/dbraw/zinc/07/42/23/406074223.db2.gz UOJXIWCJAUEHIZ-STQMWFEESA-N 1 3 306.797 2.402 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccsc1 ZINC000518891730 406164160 /nfs/dbraw/zinc/16/41/60/406164160.db2.gz BWTAMGAKBZBDOZ-HIFRSBDPSA-N 1 3 309.479 2.199 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccsc1 ZINC000518891730 406164165 /nfs/dbraw/zinc/16/41/65/406164165.db2.gz BWTAMGAKBZBDOZ-HIFRSBDPSA-N 1 3 309.479 2.199 20 0 DEADHO C[NH+](C)[C@H]1CCCN(C(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000637370103 406282998 /nfs/dbraw/zinc/28/29/98/406282998.db2.gz LWMFIEVDZUSXSI-SJORKVTESA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000488354250 406314064 /nfs/dbraw/zinc/31/40/64/406314064.db2.gz KXXJFUCGXYQTGX-DAXOMENPSA-N 1 3 323.868 2.257 20 0 DEADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000488354250 406314068 /nfs/dbraw/zinc/31/40/68/406314068.db2.gz KXXJFUCGXYQTGX-DAXOMENPSA-N 1 3 323.868 2.257 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000520807759 406317116 /nfs/dbraw/zinc/31/71/16/406317116.db2.gz QTZBNVPFERPXEW-AHIWAGSCSA-N 1 3 314.433 2.265 20 0 DEADHO COC[C@@](C)(CO)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000639957195 406332926 /nfs/dbraw/zinc/33/29/26/406332926.db2.gz KXYBJHDIDFFQGO-GOSISDBHSA-N 1 3 306.450 2.160 20 0 DEADHO C[C@@H]1C[C@@H]1CN1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000488290018 406308070 /nfs/dbraw/zinc/30/80/70/406308070.db2.gz GVTDFPHSABTSDU-IAGOWNOFSA-N 1 3 317.477 2.405 20 0 DEADHO CC1(F)CCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000640072900 406384050 /nfs/dbraw/zinc/38/40/50/406384050.db2.gz JQQSZFQIXOWLFZ-SFHVURJKSA-N 1 3 306.425 2.447 20 0 DEADHO CC1(F)CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000640072900 406384052 /nfs/dbraw/zinc/38/40/52/406384052.db2.gz JQQSZFQIXOWLFZ-SFHVURJKSA-N 1 3 306.425 2.447 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489213579 406384929 /nfs/dbraw/zinc/38/49/29/406384929.db2.gz HVZPVFKPKYNTCB-YVSFHVDLSA-N 1 3 324.513 2.421 20 0 DEADHO CC1(C)[C@H](Nc2cc(N3CCNCC3)cc[nH+]2)[C@@H]2CCCO[C@H]21 ZINC000635008912 406399035 /nfs/dbraw/zinc/39/90/35/406399035.db2.gz LECMBSXBIPSBTL-USXIJHARSA-N 1 3 316.449 2.107 20 0 DEADHO C[C@H](CN[C@H]1CCCCC[C@@H]1[NH3+])c1ccc(S(C)(=O)=O)cc1 ZINC000635012479 406399363 /nfs/dbraw/zinc/39/93/63/406399363.db2.gz MPOKHZHHHALIRN-COXVUDFISA-N 1 3 324.490 2.443 20 0 DEADHO CC(C)(CNC(=O)C12CCC[NH+](CCC1)C2)N1CCCCC1 ZINC000635111933 406428476 /nfs/dbraw/zinc/42/84/76/406428476.db2.gz NCMJHQHPJSQAAE-UHFFFAOYSA-N 1 3 307.482 2.243 20 0 DEADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000635267902 406480862 /nfs/dbraw/zinc/48/08/62/406480862.db2.gz UVMWJEXTRJFVEV-ROUUACIJSA-N 1 3 315.461 2.109 20 0 DEADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000635267902 406480866 /nfs/dbraw/zinc/48/08/66/406480866.db2.gz UVMWJEXTRJFVEV-ROUUACIJSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)CN1Cc1ccccc1 ZINC000571191652 406489083 /nfs/dbraw/zinc/48/90/83/406489083.db2.gz SSXAGGUFRHHESV-SJLPKXTDSA-N 1 3 317.477 2.498 20 0 DEADHO N[C@H](CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000637831307 406438041 /nfs/dbraw/zinc/43/80/41/406438041.db2.gz BZRWAGKUFSEOMT-RBUKOAKNSA-N 1 3 323.440 2.325 20 0 DEADHO N[C@H](CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000637831307 406438042 /nfs/dbraw/zinc/43/80/42/406438042.db2.gz BZRWAGKUFSEOMT-RBUKOAKNSA-N 1 3 323.440 2.325 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)[NH+](C)C ZINC000571804143 406568702 /nfs/dbraw/zinc/56/87/02/406568702.db2.gz IXZYXAJGZVZQDV-ROUUACIJSA-N 1 3 317.477 2.306 20 0 DEADHO C[NH+](C)CC1(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000635568925 406595190 /nfs/dbraw/zinc/59/51/90/406595190.db2.gz OSQPAASNGRJEHK-QGZVFWFLSA-N 1 3 315.461 2.109 20 0 DEADHO CCC[C@H](C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1)OC ZINC000638152109 406595880 /nfs/dbraw/zinc/59/58/80/406595880.db2.gz IULKFVDYONFHRS-GOSISDBHSA-N 1 3 311.514 2.292 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)CC(C)(C)C ZINC000635588836 406605824 /nfs/dbraw/zinc/60/58/24/406605824.db2.gz JLTISOBBEYRQFI-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)(C[NH+]1CCCC1)NC(=O)Nc1cccc2c1CCNC2 ZINC000572130958 406609929 /nfs/dbraw/zinc/60/99/29/406609929.db2.gz SDMCUTUXGYCYIP-UHFFFAOYSA-N 1 3 316.449 2.328 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N1C[C@@H]([NH3+])C[C@@H]1C)c1ccccc1 ZINC000635528743 406576637 /nfs/dbraw/zinc/57/66/37/406576637.db2.gz WGZXKILARPFXHM-BHYGNILZSA-N 1 3 318.465 2.201 20 0 DEADHO Cc1cc(CN2CCC(OCC[NH+]3CCCC3)CC2)ccn1 ZINC000527532290 406651031 /nfs/dbraw/zinc/65/10/31/406651031.db2.gz CVFUPUDPCURWJQ-UHFFFAOYSA-N 1 3 303.450 2.467 20 0 DEADHO O=C(Cc1cccc2c1CC[NH2+]C2)Nc1ccc2c(c1)CNC2 ZINC000638258521 406654264 /nfs/dbraw/zinc/65/42/64/406654264.db2.gz JOJKZAOBUZRLKV-UHFFFAOYSA-N 1 3 307.397 2.117 20 0 DEADHO CC1(C)C[NH2+][C@@H]1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000645808325 406641646 /nfs/dbraw/zinc/64/16/46/406641646.db2.gz IDUQARLPSCAYSM-DZGCQCFKSA-N 1 3 321.490 2.074 20 0 DEADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)/C=C\CN(C)C)c1ccccc1 ZINC000491873090 406757387 /nfs/dbraw/zinc/75/73/87/406757387.db2.gz SUYQCTFAJVEDFZ-HMVFGEFZSA-N 1 3 303.450 2.350 20 0 DEADHO C[N@@H+]1CCC[C@H]1CCN1CC[C@H](C(=O)NCc2ccccc2)C1 ZINC000646056983 406760971 /nfs/dbraw/zinc/76/09/71/406760971.db2.gz POJNPYAKOJVXLU-ROUUACIJSA-N 1 3 315.461 2.109 20 0 DEADHO C[N@H+]1CCC[C@H]1CCN1CC[C@H](C(=O)NCc2ccccc2)C1 ZINC000646056983 406760975 /nfs/dbraw/zinc/76/09/75/406760975.db2.gz POJNPYAKOJVXLU-ROUUACIJSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000646071472 406768697 /nfs/dbraw/zinc/76/86/97/406768697.db2.gz PIXXONWMMNYQGP-KNCOVGOOSA-N 1 3 321.490 2.245 20 0 DEADHO C[C@@H](C[NH2+]C1CCN(CC(C)(C)O)CC1)N1CCCC[C@@H]1C ZINC000638361609 406724154 /nfs/dbraw/zinc/72/41/54/406724154.db2.gz RSDZOKUYBIOTAR-HOTGVXAUSA-N 1 3 311.514 2.074 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)[NH+](C)C ZINC000298122568 286743366 /nfs/dbraw/zinc/74/33/66/286743366.db2.gz AZLXVGNLPXIZJZ-GJZGRUSLSA-N 1 3 311.857 2.399 20 0 DEADHO CSCC1CCC(NCc2nnc(C3CC[NH2+]CC3)[nH]2)CC1 ZINC000577500249 406838860 /nfs/dbraw/zinc/83/88/60/406838860.db2.gz ABEJXALMBQEIMC-UHFFFAOYSA-N 1 3 323.510 2.283 20 0 DEADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000646212936 406818494 /nfs/dbraw/zinc/81/84/94/406818494.db2.gz WODKAIFWNARZEF-ZIAGYGMSSA-N 1 3 324.444 2.025 20 0 DEADHO O=C(C[NH2+]C1CC1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000646408947 406858753 /nfs/dbraw/zinc/85/87/53/406858753.db2.gz UUVHLUZZIFCXHZ-KRWDZBQOSA-N 1 3 301.434 2.082 20 0 DEADHO C[C@@H]1CCC[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)CC1 ZINC000641762497 406887392 /nfs/dbraw/zinc/88/73/92/406887392.db2.gz LCXXLSTWBPCHAU-MSOLQXFVSA-N 1 3 323.525 2.341 20 0 DEADHO CCN(CCNC(=O)N(C)CCCC[NH+]1CCCCC1)C1CC1 ZINC000641783026 406891163 /nfs/dbraw/zinc/89/11/63/406891163.db2.gz HKDYVQJCCJUJRV-UHFFFAOYSA-N 1 3 324.513 2.378 20 0 DEADHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CO[C@@H](C)C3)cc2)CC1 ZINC000647172336 406964333 /nfs/dbraw/zinc/96/43/33/406964333.db2.gz SNBZNMULPIVNEX-QFBILLFUSA-N 1 3 317.477 2.091 20 0 DEADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H]2CO[C@H](C)C2)CC1 ZINC000647172157 406964451 /nfs/dbraw/zinc/96/44/51/406964451.db2.gz KPCSSONNBKBBRG-VQIMIIECSA-N 1 3 317.477 2.091 20 0 DEADHO C[C@@H](N[C@H]1CCC[NH2+]CC1)c1cccc(N2CCOCC2)c1 ZINC000643521672 407009784 /nfs/dbraw/zinc/00/97/84/407009784.db2.gz UJZQQXWNXTTYHO-WBVHZDCISA-N 1 3 303.450 2.316 20 0 DEADHO Cc1ccc([C@@H](CCn2cncn2)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000643522110 407010784 /nfs/dbraw/zinc/01/07/84/407010784.db2.gz HYNSTEVDQDIMLA-ZWKOTPCHSA-N 1 3 313.449 2.450 20 0 DEADHO CC[C@@H]([NH2+][C@@H](C)C1CCN(C)CC1)C(=O)NCc1cccs1 ZINC000647333243 406987778 /nfs/dbraw/zinc/98/77/78/406987778.db2.gz OMPPWWVWIXEZOT-XJKSGUPXSA-N 1 3 323.506 2.463 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)CCN1C ZINC000647344405 406989186 /nfs/dbraw/zinc/98/91/86/406989186.db2.gz PXCXUGUPVDTEAB-OWYHZJEWSA-N 1 3 301.478 2.404 20 0 DEADHO FC(F)CN1CCC(N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000643459978 407003127 /nfs/dbraw/zinc/00/31/27/407003127.db2.gz FXJJBFRAPZAOKD-RRFJBIMHSA-N 1 3 301.425 2.226 20 0 DEADHO CCOc1ccc2c(c1)[C@@H](N[C@@H](CCC[NH3+])COC)CCO2 ZINC000643482532 407005368 /nfs/dbraw/zinc/00/53/68/407005368.db2.gz ZKYYNZYHPSWVCK-BBRMVZONSA-N 1 3 308.422 2.252 20 0 DEADHO O[C@@H]1CCCC[C@H]1N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643482558 407005803 /nfs/dbraw/zinc/00/58/03/407005803.db2.gz NGISJYBIAHZCEV-KONPQCLYSA-N 1 3 302.418 2.135 20 0 DEADHO C[C@@H](NC[C@H]1CCCC[NH2+]1)c1ccc(OCCN(C)C)cc1 ZINC000643501749 407008581 /nfs/dbraw/zinc/00/85/81/407008581.db2.gz PGGJTLKMWHSKMQ-NVXWUHKLSA-N 1 3 305.466 2.420 20 0 DEADHO CN(C)C[C@H]1CC[N@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647970867 407089954 /nfs/dbraw/zinc/08/99/54/407089954.db2.gz JJOLSEPGPGHBOK-HZPDHXFCSA-N 1 3 309.498 2.155 20 0 DEADHO CN(C)C[C@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647970867 407089955 /nfs/dbraw/zinc/08/99/55/407089955.db2.gz JJOLSEPGPGHBOK-HZPDHXFCSA-N 1 3 309.498 2.155 20 0 DEADHO C[NH+](C)C[C@H]1CCN(C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647970867 407089956 /nfs/dbraw/zinc/08/99/56/407089956.db2.gz JJOLSEPGPGHBOK-HZPDHXFCSA-N 1 3 309.498 2.155 20 0 DEADHO CC(C)CCNC(=O)[C@H](C)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976395 407091592 /nfs/dbraw/zinc/09/15/92/407091592.db2.gz NSPALAHUNRQHQY-GVDBMIGSSA-N 1 3 309.498 2.249 20 0 DEADHO CCOCCN1CCN(c2[nH+]ccc3[nH]ccc32)C[C@H]1CC ZINC000647867204 407064304 /nfs/dbraw/zinc/06/43/04/407064304.db2.gz BLWMDXWQFIVIKV-CQSZACIVSA-N 1 3 302.422 2.500 20 0 DEADHO CN(C)C[C@@H](NC(=O)[C@H]1[NH2+]CC1(C)C)c1ccc(Cl)cc1 ZINC000648153924 407127197 /nfs/dbraw/zinc/12/71/97/407127197.db2.gz GCAVLGQOOBYWQO-ZIAGYGMSSA-N 1 3 309.841 2.057 20 0 DEADHO OC1CCN(Cc2ccc(C[NH2+]CC3(O)CCCC3)cc2)CC1 ZINC000644564380 407143382 /nfs/dbraw/zinc/14/33/82/407143382.db2.gz OAXNFQUZWUOYKX-UHFFFAOYSA-N 1 3 318.461 2.038 20 0 DEADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2NCC2(C)C)cc1 ZINC000645225725 407249442 /nfs/dbraw/zinc/24/94/42/407249442.db2.gz IMSCYQKKQRUGKU-MRXNPFEDSA-N 1 3 303.450 2.143 20 0 DEADHO CCCN(C(=O)NC1CC([NH+]2CCCCC2)C1)[C@H]1CCN(C)C1 ZINC000645486513 407284753 /nfs/dbraw/zinc/28/47/53/407284753.db2.gz OAJMDJOXKRNXGA-CGZBRXJRSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H](C[NH+](C)C)NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000287216453 286818361 /nfs/dbraw/zinc/81/83/61/286818361.db2.gz RAVONMILIANNPI-DOTOQJQBSA-N 1 3 318.465 2.073 20 0 DEADHO CC[C@@H](NCC1(N2CCSCC2)CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422849953 286903899 /nfs/dbraw/zinc/90/38/99/286903899.db2.gz VHTXOGXGVGFIJD-CVEARBPZSA-N 1 3 311.539 2.468 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000353530128 287013477 /nfs/dbraw/zinc/01/34/77/287013477.db2.gz TZJDDKOJFVZRLD-IXDOHACOSA-N 1 3 307.482 2.003 20 0 DEADHO C[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCCC1)N1CCC(C)CC1 ZINC000129004152 196011362 /nfs/dbraw/zinc/01/13/62/196011362.db2.gz GKMNLAOQRTUBEN-DLBZAZTESA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](CN)C[NH2+][C@@H](C)CCCCN1C(=O)c2ccccc2C1=O ZINC000414876335 228577823 /nfs/dbraw/zinc/57/78/23/228577823.db2.gz LFJFULQSYDGHEZ-KGLIPLIRSA-N 1 3 317.433 2.026 20 0 DEADHO COCCOc1ccccc1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415005339 228610627 /nfs/dbraw/zinc/61/06/27/228610627.db2.gz JERIXHOIRVIYLA-DLBZAZTESA-N 1 3 304.434 2.190 20 0 DEADHO CC[C@@H](F)CN[C@@H](C)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001423174099 1173142720 /nfs/dbraw/zinc/14/27/20/1173142720.db2.gz SCRFEJFMDZMSDL-LSDHHAIUSA-N 1 3 301.450 2.047 20 0 DEADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000416848065 228910359 /nfs/dbraw/zinc/91/03/59/228910359.db2.gz KYPDXFGLYLOAPY-LSDHHAIUSA-N 1 3 310.486 2.033 20 0 DEADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[NH2+][C@H](C)C2)N(C)C)cc1 ZINC000417301700 229005313 /nfs/dbraw/zinc/00/53/13/229005313.db2.gz BVAWSWYEUGEUIB-PVAVHDDUSA-N 1 3 318.465 2.037 20 0 DEADHO CN(C[C@H]1CCCN1C)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000422036156 230056567 /nfs/dbraw/zinc/05/65/67/230056567.db2.gz MUKFDJGQPVHTLH-IAGOWNOFSA-N 1 3 303.450 2.232 20 0 DEADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Oc1cccc(F)c1 ZINC000422789413 230209063 /nfs/dbraw/zinc/20/90/63/230209063.db2.gz OLRFPYCKIDUMET-BNEJOLLZSA-N 1 3 322.424 2.340 20 0 DEADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Oc1ccccc1F ZINC000422790555 230210779 /nfs/dbraw/zinc/21/07/79/230210779.db2.gz PJCUYWIIYPGXCK-YALNPMBYSA-N 1 3 322.424 2.340 20 0 DEADHO Cc1cccc([C@H](C[NH2+][C@H]2CCC[C@@H]2CN)N2CCOCC2)c1 ZINC000422860239 230247864 /nfs/dbraw/zinc/24/78/64/230247864.db2.gz LDOVTICGUARNGJ-QYZOEREBSA-N 1 3 317.477 2.085 20 0 DEADHO C[C@H](C[C@@H]1COCCN1)[NH2+]C[C@H]1CCCN1CC1CCCCC1 ZINC000422910451 230273740 /nfs/dbraw/zinc/27/37/40/230273740.db2.gz QLZMEYQXDHFVNC-BHIYHBOVSA-N 1 3 323.525 2.388 20 0 DEADHO C[C@H](C[C@@H]1COCCN1)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000422910451 230273744 /nfs/dbraw/zinc/27/37/44/230273744.db2.gz QLZMEYQXDHFVNC-BHIYHBOVSA-N 1 3 323.525 2.388 20 0 DEADHO C[C@H](C[C@@H]1COCCN1)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000422910451 230273749 /nfs/dbraw/zinc/27/37/49/230273749.db2.gz QLZMEYQXDHFVNC-BHIYHBOVSA-N 1 3 323.525 2.388 20 0 DEADHO CSC1(CN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])CCOCC1 ZINC000422927482 230280739 /nfs/dbraw/zinc/28/07/39/230280739.db2.gz ZDKYDBYTCAUXHC-GDBMZVCRSA-N 1 3 308.491 2.447 20 0 DEADHO COc1cc(OC)cc(OCCC[NH2+][C@@H]2CCC[C@@H]2CN)c1 ZINC000422931574 230283508 /nfs/dbraw/zinc/28/35/08/230283508.db2.gz XWFIKFKHUYHWEK-CXAGYDPISA-N 1 3 308.422 2.190 20 0 DEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000422955155 230292502 /nfs/dbraw/zinc/29/25/02/230292502.db2.gz ITQFQEBEDAFPIC-QAPCUYQASA-N 1 3 315.461 2.416 20 0 DEADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCN(C(=O)C1CCC1)C1CC1 ZINC000422958784 230296331 /nfs/dbraw/zinc/29/63/31/230296331.db2.gz PYDPEEWJCJRRTR-YOEHRIQHSA-N 1 3 307.482 2.145 20 0 DEADHO [NH3+]C[C@H]1CCC[C@H]1NCCOc1cccc(C(F)(F)F)n1 ZINC000423013179 230317941 /nfs/dbraw/zinc/31/79/41/230317941.db2.gz MGHNBDAWNPLUQJ-GHMZBOCLSA-N 1 3 303.328 2.196 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000423051630 230330576 /nfs/dbraw/zinc/33/05/76/230330576.db2.gz NTCKVJVRFIIXIY-ZLIFDBKOSA-N 1 3 319.424 2.202 20 0 DEADHO O[C@@]1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[C@@H](C(F)(F)F)C1 ZINC000423059621 230332460 /nfs/dbraw/zinc/33/24/60/230332460.db2.gz GDDHLNXOWPXUBD-YIPFDTCYSA-N 1 3 306.372 2.343 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]1NCCCOc1ccc(C(F)(F)F)cn1 ZINC000423070569 230337582 /nfs/dbraw/zinc/33/75/82/230337582.db2.gz GFNKBEZALPZQPC-NEPJUHHUSA-N 1 3 303.328 2.339 20 0 DEADHO C[C@H](NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)C1C[NH2+]C1 ZINC000423075298 230340504 /nfs/dbraw/zinc/34/05/04/230340504.db2.gz OFMVKAQOGMGRPC-DOPJRALCSA-N 1 3 306.425 2.097 20 0 DEADHO C[C@H]([NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)C1CNC1 ZINC000423075298 230340508 /nfs/dbraw/zinc/34/05/08/230340508.db2.gz OFMVKAQOGMGRPC-DOPJRALCSA-N 1 3 306.425 2.097 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC000634456912 424843676 /nfs/dbraw/zinc/84/36/76/424843676.db2.gz MXOKXSQJTLCTFJ-GOSISDBHSA-N 1 3 315.461 2.027 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000155674724 424862451 /nfs/dbraw/zinc/86/24/51/424862451.db2.gz JHZOTRVOEUTGFX-QAETUUGQSA-N 1 3 309.498 2.473 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000155674724 424862454 /nfs/dbraw/zinc/86/24/54/424862454.db2.gz JHZOTRVOEUTGFX-QAETUUGQSA-N 1 3 309.498 2.473 20 0 DEADHO C[C@H]1C[C@H](NC(=O)CCC(C)(C)[NH3+])CN1Cc1ccccc1 ZINC000398102965 424922721 /nfs/dbraw/zinc/92/27/21/424922721.db2.gz ZWQACYZKMPEUIS-HOCLYGCPSA-N 1 3 303.450 2.283 20 0 DEADHO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)[C@H]1CCCCN1C1CCCC1 ZINC000648922189 424928851 /nfs/dbraw/zinc/92/88/51/424928851.db2.gz XDDYRYGNFUSCHD-FUHWJXTLSA-N 1 3 319.493 2.384 20 0 DEADHO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CCCCN1C1CCCC1 ZINC000648922189 424928852 /nfs/dbraw/zinc/92/88/52/424928852.db2.gz XDDYRYGNFUSCHD-FUHWJXTLSA-N 1 3 319.493 2.384 20 0 DEADHO CN(C)CCOc1cccc(NC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)c1 ZINC000407362317 424932648 /nfs/dbraw/zinc/93/26/48/424932648.db2.gz IBNKNWLSUCKFPA-IRXDYDNUSA-N 1 3 317.433 2.096 20 0 DEADHO CC[C@@H](CNC(=O)CCC(C)(C)[NH3+])N1CCc2ccccc2C1 ZINC000649292895 424985610 /nfs/dbraw/zinc/98/56/10/424985610.db2.gz KQXSYDJKCXSGRP-KRWDZBQOSA-N 1 3 317.477 2.457 20 0 DEADHO CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@H]1CNCCC1(F)F ZINC000649298861 424987003 /nfs/dbraw/zinc/98/70/03/424987003.db2.gz DAMPGMXOLOJEBZ-AWEZNQCLSA-N 1 3 319.440 2.058 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CNCc3ccccc32)[C@@H](C)C1 ZINC000649340709 424996649 /nfs/dbraw/zinc/99/66/49/424996649.db2.gz KSVXQSOXSXDLAV-WBAXXEDZSA-N 1 3 315.461 2.062 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CNCc3ccccc32)[C@@H](C)C1 ZINC000649340709 424996652 /nfs/dbraw/zinc/99/66/52/424996652.db2.gz KSVXQSOXSXDLAV-WBAXXEDZSA-N 1 3 315.461 2.062 20 0 DEADHO CCC(CC)(C[NH3+])C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000649342709 424997471 /nfs/dbraw/zinc/99/74/71/424997471.db2.gz KGTJZOTWPASWKV-QGZVFWFLSA-N 1 3 317.477 2.484 20 0 DEADHO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)C1 ZINC000649342933 424998283 /nfs/dbraw/zinc/99/82/83/424998283.db2.gz XTUYFLBRWOABAM-KBAYOESNSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000649363543 425001296 /nfs/dbraw/zinc/00/12/96/425001296.db2.gz FMQFKIKNQVFORG-VVLHAWIVSA-N 1 3 307.482 2.097 20 0 DEADHO CCCn1cc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cn1 ZINC000650706148 425039278 /nfs/dbraw/zinc/03/92/78/425039278.db2.gz FDKRIFBVYBBVJN-YESZJQIVSA-N 1 3 306.454 2.011 20 0 DEADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2cnc3ccccn23)C1 ZINC000650722251 425042561 /nfs/dbraw/zinc/04/25/61/425042561.db2.gz NXAWVRKYVXTPTO-HYVNUMGLSA-N 1 3 314.433 2.195 20 0 DEADHO COC[C@@H]1C[C@@H](O)CN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000649745803 425073525 /nfs/dbraw/zinc/07/35/25/425073525.db2.gz ZIYPSWWPUMUSEA-RBUKOAKNSA-N 1 3 318.461 2.254 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000651197061 425115096 /nfs/dbraw/zinc/11/50/96/425115096.db2.gz UXIQZRPVULBGDD-INIZCTEOSA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000651197061 425115097 /nfs/dbraw/zinc/11/50/97/425115097.db2.gz UXIQZRPVULBGDD-INIZCTEOSA-N 1 3 324.513 2.090 20 0 DEADHO CC[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccncc1 ZINC000651228260 425119525 /nfs/dbraw/zinc/11/95/25/425119525.db2.gz FVNHDYIBKKKEEM-SJLPKXTDSA-N 1 3 302.466 2.291 20 0 DEADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000660588705 425170580 /nfs/dbraw/zinc/17/05/80/425170580.db2.gz ZRPRIAJRUBQZML-HOTGVXAUSA-N 1 3 312.502 2.136 20 0 DEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000660588705 425170584 /nfs/dbraw/zinc/17/05/84/425170584.db2.gz ZRPRIAJRUBQZML-HOTGVXAUSA-N 1 3 312.502 2.136 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)C1 ZINC000660610519 425175106 /nfs/dbraw/zinc/17/51/06/425175106.db2.gz AEARUNWLULVZDS-OAGGEKHMSA-N 1 3 310.486 2.033 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000666757101 425177375 /nfs/dbraw/zinc/17/73/75/425177375.db2.gz OQCMHYFLEKOTAR-MRXNPFEDSA-N 1 3 312.502 2.088 20 0 DEADHO CCN(C(=O)NC1CC[NH+](CC(C)C)CC1)[C@H]1CCN(CC)C1 ZINC000663552933 425183292 /nfs/dbraw/zinc/18/32/92/425183292.db2.gz OSHBUBDZFIDHNU-KRWDZBQOSA-N 1 3 324.513 2.233 20 0 DEADHO CCCN1CCN(c2ccccc2CN(C)CC(C)(C)[NH3+])CC1 ZINC000656784243 425188666 /nfs/dbraw/zinc/18/86/66/425188666.db2.gz BNAHEBAMPWEZJQ-UHFFFAOYSA-N 1 3 318.509 2.388 20 0 DEADHO CNC(=O)c1ccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000656785928 425189030 /nfs/dbraw/zinc/18/90/30/425189030.db2.gz NJNVANSSHWXODZ-GOSISDBHSA-N 1 3 315.461 2.258 20 0 DEADHO CC[N@H+](C)C[C@@H](O)CN[C@H](CN1CCCCC1)c1ccccc1 ZINC000653612320 425190890 /nfs/dbraw/zinc/19/08/90/425190890.db2.gz KFNDIFDZUBGSMQ-RBUKOAKNSA-N 1 3 319.493 2.116 20 0 DEADHO CC[N@@H+](C)C[C@@H](O)CN[C@H](CN1CCCCC1)c1ccccc1 ZINC000653612320 425190896 /nfs/dbraw/zinc/19/08/96/425190896.db2.gz KFNDIFDZUBGSMQ-RBUKOAKNSA-N 1 3 319.493 2.116 20 0 DEADHO Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@]3(CCN(C)C3)C2)cc1 ZINC000660654377 425195381 /nfs/dbraw/zinc/19/53/81/425195381.db2.gz HGZJYZGIDUSLBS-IEBWSBKVSA-N 1 3 318.461 2.152 20 0 DEADHO Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@]3(CCN(C)C3)C2)cc1 ZINC000660654377 425195386 /nfs/dbraw/zinc/19/53/86/425195386.db2.gz HGZJYZGIDUSLBS-IEBWSBKVSA-N 1 3 318.461 2.152 20 0 DEADHO CCN(C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)[C@@H]1CCN(C)C1 ZINC000663626995 425199470 /nfs/dbraw/zinc/19/94/70/425199470.db2.gz ARYDWQAGQGBDCT-SJORKVTESA-N 1 3 324.513 2.233 20 0 DEADHO CCCN1CC[C@H](NC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000660666561 425200836 /nfs/dbraw/zinc/20/08/36/425200836.db2.gz RRFNPNITCCKGSZ-IRXDYDNUSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCC[C@H]1COc1ccccc1 ZINC000660670954 425202642 /nfs/dbraw/zinc/20/26/42/425202642.db2.gz IIPCLVOXBXBYNX-DLBZAZTESA-N 1 3 306.450 2.231 20 0 DEADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCC[C@H]1COc1ccccc1 ZINC000660670954 425202644 /nfs/dbraw/zinc/20/26/44/425202644.db2.gz IIPCLVOXBXBYNX-DLBZAZTESA-N 1 3 306.450 2.231 20 0 DEADHO c1cc2c(ccnc2N2CC[NH+](CC3CCOCC3)CC2)[nH]1 ZINC000663639965 425204465 /nfs/dbraw/zinc/20/44/65/425204465.db2.gz ZNIMZVFEAOYYQE-UHFFFAOYSA-N 1 3 300.406 2.112 20 0 DEADHO OC[C@]1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCc2ccccc21 ZINC000651884757 425150887 /nfs/dbraw/zinc/15/08/87/425150887.db2.gz PGIIOPFRQUXNEU-YQVWRLOYSA-N 1 3 300.446 2.079 20 0 DEADHO OC[C@]1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCc2ccccc21 ZINC000651884757 425150888 /nfs/dbraw/zinc/15/08/88/425150888.db2.gz PGIIOPFRQUXNEU-YQVWRLOYSA-N 1 3 300.446 2.079 20 0 DEADHO CC[N@@H+]1CC[C@H](NC[C@@]2(CO)CCc3ccccc32)[C@H](C)C1 ZINC000651884095 425150940 /nfs/dbraw/zinc/15/09/40/425150940.db2.gz ZWRQDYVRGOIOIG-AYOQOUSVSA-N 1 3 302.462 2.183 20 0 DEADHO CC[N@H+]1CC[C@H](NC[C@@]2(CO)CCc3ccccc32)[C@H](C)C1 ZINC000651884095 425150941 /nfs/dbraw/zinc/15/09/41/425150941.db2.gz ZWRQDYVRGOIOIG-AYOQOUSVSA-N 1 3 302.462 2.183 20 0 DEADHO CC[N@H+](CCCNC1CCN(C(N)=O)CC1)C1CCCCC1 ZINC000651910470 425151844 /nfs/dbraw/zinc/15/18/44/425151844.db2.gz VDKAKTDLZCTQCC-UHFFFAOYSA-N 1 3 310.486 2.164 20 0 DEADHO CC[N@@H+](CCCNC1CCN(C(N)=O)CC1)C1CCCCC1 ZINC000651910470 425151845 /nfs/dbraw/zinc/15/18/45/425151845.db2.gz VDKAKTDLZCTQCC-UHFFFAOYSA-N 1 3 310.486 2.164 20 0 DEADHO CN(CCN(C)C1CC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000666663114 425156127 /nfs/dbraw/zinc/15/61/27/425156127.db2.gz JQIUIXRQZLHBFG-OAHLLOKOSA-N 1 3 322.497 2.129 20 0 DEADHO CN(CCN(C)C1CC1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000666663114 425156130 /nfs/dbraw/zinc/15/61/30/425156130.db2.gz JQIUIXRQZLHBFG-OAHLLOKOSA-N 1 3 322.497 2.129 20 0 DEADHO [NH3+]C[C@]12CCC[C@H]1CN([C@@H]1CCCN(c3ccccc3)C1=O)C2 ZINC000652352037 425244150 /nfs/dbraw/zinc/24/41/50/425244150.db2.gz XPROUBNRWKKRMQ-WDYCEAGBSA-N 1 3 313.445 2.243 20 0 DEADHO NC[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCCN(c3ccccc3)C1=O)C2 ZINC000652352037 425244154 /nfs/dbraw/zinc/24/41/54/425244154.db2.gz XPROUBNRWKKRMQ-WDYCEAGBSA-N 1 3 313.445 2.243 20 0 DEADHO NC[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCCN(c3ccccc3)C1=O)C2 ZINC000652352037 425244157 /nfs/dbraw/zinc/24/41/57/425244157.db2.gz XPROUBNRWKKRMQ-WDYCEAGBSA-N 1 3 313.445 2.243 20 0 DEADHO Cc1c2cccc(C)c2oc1CN(C)CCN1CC[NH2+]CC1 ZINC000652358542 425246741 /nfs/dbraw/zinc/24/67/41/425246741.db2.gz QDMFNEJZUHXQMZ-UHFFFAOYSA-N 1 3 301.434 2.387 20 0 DEADHO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nccc2[nH]ccc21 ZINC000663852121 425252556 /nfs/dbraw/zinc/25/25/56/425252556.db2.gz NZAFEOXUTHQUMU-CYBMUJFWSA-N 1 3 300.406 2.252 20 0 DEADHO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nccc2[nH]ccc21 ZINC000663852121 425252560 /nfs/dbraw/zinc/25/25/60/425252560.db2.gz NZAFEOXUTHQUMU-CYBMUJFWSA-N 1 3 300.406 2.252 20 0 DEADHO C[C@@H](NC(=O)N[C@@H](C)CN1CCC(C)CC1)C1CC[NH+](C)CC1 ZINC000660852904 425256499 /nfs/dbraw/zinc/25/64/99/425256499.db2.gz LAUBGJKTNAIHSC-JKSUJKDBSA-N 1 3 324.513 2.136 20 0 DEADHO CN(CCN1CCCCC1)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000652205287 425213501 /nfs/dbraw/zinc/21/35/01/425213501.db2.gz SPWUSDPGVBJPFR-MRXNPFEDSA-N 1 3 310.486 2.021 20 0 DEADHO CC[N@H+](CCCNC(=O)N1CCN[C@H](C)[C@H]1C)C1CCCCC1 ZINC000652227804 425217478 /nfs/dbraw/zinc/21/74/78/425217478.db2.gz OJRJMVNYIJGHHS-HZPDHXFCSA-N 1 3 324.513 2.423 20 0 DEADHO CC[N@@H+](CCCNC(=O)N1CCN[C@H](C)[C@H]1C)C1CCCCC1 ZINC000652227804 425217482 /nfs/dbraw/zinc/21/74/82/425217482.db2.gz OJRJMVNYIJGHHS-HZPDHXFCSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H]1CCC[N@H+](CCNC(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000654374190 425336178 /nfs/dbraw/zinc/33/61/78/425336178.db2.gz LRSFPARGFQWEJV-IXDOHACOSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000654374190 425336181 /nfs/dbraw/zinc/33/61/81/425336181.db2.gz LRSFPARGFQWEJV-IXDOHACOSA-N 1 3 322.497 2.034 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N(CC)[C@H]1CCN(C)C1 ZINC000663963137 425276389 /nfs/dbraw/zinc/27/63/89/425276389.db2.gz RHIVWUAJTWRBHO-INIZCTEOSA-N 1 3 312.502 2.234 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000664043460 425294740 /nfs/dbraw/zinc/29/47/40/425294740.db2.gz KFVIVCDDEVAZNW-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000664043460 425294742 /nfs/dbraw/zinc/29/47/42/425294742.db2.gz KFVIVCDDEVAZNW-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1(C)CCCC1 ZINC000664046268 425296787 /nfs/dbraw/zinc/29/67/87/425296787.db2.gz VQGTULRPVXBVQG-HNNXBMFYSA-N 1 3 312.502 2.138 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1(C)CCCC1 ZINC000664046268 425296792 /nfs/dbraw/zinc/29/67/92/425296792.db2.gz VQGTULRPVXBVQG-HNNXBMFYSA-N 1 3 312.502 2.138 20 0 DEADHO C[C@H](CNCc1ccnn1-c1ccncc1)C[NH+]1CCCCC1 ZINC000657317199 425301466 /nfs/dbraw/zinc/30/14/66/425301466.db2.gz ULXHMMLVEOVXJP-MRXNPFEDSA-N 1 3 313.449 2.479 20 0 DEADHO Cn1nc(C(F)(F)F)cc1CNCC[C@H]1CCC[N@H+](C)C1 ZINC000657491059 425348709 /nfs/dbraw/zinc/34/87/09/425348709.db2.gz BJUVYPZRKLGMDY-LLVKDONJSA-N 1 3 304.360 2.260 20 0 DEADHO Cn1nc(C(F)(F)F)cc1CNCC[C@H]1CCC[N@@H+](C)C1 ZINC000657491059 425348713 /nfs/dbraw/zinc/34/87/13/425348713.db2.gz BJUVYPZRKLGMDY-LLVKDONJSA-N 1 3 304.360 2.260 20 0 DEADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654405659 425344765 /nfs/dbraw/zinc/34/47/65/425344765.db2.gz SVDHDTCLHYMWLR-XHSDSOJGSA-N 1 3 310.486 2.033 20 0 DEADHO CN(C)CCC[N@H+](C)CCNc1cnc2cc(F)c(F)cc2n1 ZINC000664247246 425344900 /nfs/dbraw/zinc/34/49/00/425344900.db2.gz HOEWMIGJIPGZFR-UHFFFAOYSA-N 1 3 323.391 2.203 20 0 DEADHO CN(C)CCC[N@@H+](C)CCNc1cnc2cc(F)c(F)cc2n1 ZINC000664247246 425344903 /nfs/dbraw/zinc/34/49/03/425344903.db2.gz HOEWMIGJIPGZFR-UHFFFAOYSA-N 1 3 323.391 2.203 20 0 DEADHO C[N@H+](CCCCNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12)C1CC1 ZINC000654588212 425391779 /nfs/dbraw/zinc/39/17/79/425391779.db2.gz SJSIENGGEHOHSC-SJORKVTESA-N 1 3 322.497 2.177 20 0 DEADHO C[N@@H+](CCCCNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12)C1CC1 ZINC000654588212 425391783 /nfs/dbraw/zinc/39/17/83/425391783.db2.gz SJSIENGGEHOHSC-SJORKVTESA-N 1 3 322.497 2.177 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+]CC2CCC(O)CC2)cc1 ZINC000657739474 425395002 /nfs/dbraw/zinc/39/50/02/425395002.db2.gz CWIOPDMSNULEOH-UHFFFAOYSA-N 1 3 306.450 2.268 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]CC2)C1 ZINC000653112974 425408213 /nfs/dbraw/zinc/40/82/13/425408213.db2.gz OLWTUFIXCGBPBU-NXHRZFHOSA-N 1 3 315.461 2.328 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCC(C)(C)C1 ZINC000664563878 425411878 /nfs/dbraw/zinc/41/18/78/425411878.db2.gz AKNSUVLJYZTCNQ-GJZGRUSLSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCC(C)(C)C1 ZINC000664563878 425411881 /nfs/dbraw/zinc/41/18/81/425411881.db2.gz AKNSUVLJYZTCNQ-GJZGRUSLSA-N 1 3 312.502 2.136 20 0 DEADHO Cc1ccc2nc(CN[C@@H](C)CN(C)CCC[NH+](C)C)cn2c1 ZINC000657572843 425368127 /nfs/dbraw/zinc/36/81/27/425368127.db2.gz HXUGOOIXWUXRGN-INIZCTEOSA-N 1 3 317.481 2.004 20 0 DEADHO Cc1cnccc1CNCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657597322 425374070 /nfs/dbraw/zinc/37/40/70/425374070.db2.gz UDKISUQYYSIRAS-IBGZPJMESA-N 1 3 311.429 2.246 20 0 DEADHO Cc1cnccc1CNCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657597322 425374075 /nfs/dbraw/zinc/37/40/75/425374075.db2.gz UDKISUQYYSIRAS-IBGZPJMESA-N 1 3 311.429 2.246 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CCO1 ZINC000657612889 425375012 /nfs/dbraw/zinc/37/50/12/425375012.db2.gz DLVIVOHMTYLBSK-MAUKXSAKSA-N 1 3 303.450 2.451 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654562864 425382218 /nfs/dbraw/zinc/38/22/18/425382218.db2.gz QPWPAXUDACFFLM-GVDBMIGSSA-N 1 3 322.497 2.177 20 0 DEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654562864 425382223 /nfs/dbraw/zinc/38/22/23/425382223.db2.gz QPWPAXUDACFFLM-GVDBMIGSSA-N 1 3 322.497 2.177 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654569595 425383285 /nfs/dbraw/zinc/38/32/85/425383285.db2.gz KXQHBQNHMQDDAP-BRWVUGGUSA-N 1 3 324.513 2.423 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654569595 425383287 /nfs/dbraw/zinc/38/32/87/425383287.db2.gz KXQHBQNHMQDDAP-BRWVUGGUSA-N 1 3 324.513 2.423 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000653176023 425426149 /nfs/dbraw/zinc/42/61/49/425426149.db2.gz IAPHXJQTRQSFLG-WBVHZDCISA-N 1 3 305.466 2.417 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000653176023 425426153 /nfs/dbraw/zinc/42/61/53/425426153.db2.gz IAPHXJQTRQSFLG-WBVHZDCISA-N 1 3 305.466 2.417 20 0 DEADHO CN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654735733 425428612 /nfs/dbraw/zinc/42/86/12/425428612.db2.gz UGQLMCKUDYOYOA-IAGOWNOFSA-N 1 3 322.497 2.131 20 0 DEADHO CC(C)(C[NH+]1CCCC1)NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654737638 425430066 /nfs/dbraw/zinc/43/00/66/425430066.db2.gz LPBRKGHCCPBQLM-CVEARBPZSA-N 1 3 322.497 2.177 20 0 DEADHO C[NH+](C)CCCC(C)(C)NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654738997 425430151 /nfs/dbraw/zinc/43/01/51/425430151.db2.gz WELMCCOVUFJYBI-CVEARBPZSA-N 1 3 324.513 2.423 20 0 DEADHO CC(=O)NCc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000658074117 425433721 /nfs/dbraw/zinc/43/37/21/425433721.db2.gz RVHAFLQUQNOJMY-UHFFFAOYSA-N 1 3 315.461 2.287 20 0 DEADHO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc2c(s1)CCNC2 ZINC000664718752 425441910 /nfs/dbraw/zinc/44/19/10/425441910.db2.gz JRCUIXWQTWWOQS-UHFFFAOYSA-N 1 3 309.479 2.244 20 0 DEADHO CCC[N@@H+](C)CC(C)(C)NC(=O)c1cc2c(s1)CCNC2 ZINC000664718752 425441912 /nfs/dbraw/zinc/44/19/12/425441912.db2.gz JRCUIXWQTWWOQS-UHFFFAOYSA-N 1 3 309.479 2.244 20 0 DEADHO CCN(C(=O)NCC(C)(C)C[NH+]1CCCC1)[C@@H]1CCN(CC)C1 ZINC000664744874 425447821 /nfs/dbraw/zinc/44/78/21/425447821.db2.gz VIKXATHUNQYKKT-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO CN(CCN1CCCCC1)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000653274485 425448320 /nfs/dbraw/zinc/44/83/20/425448320.db2.gz HCFFPBROSCGXJL-QGZVFWFLSA-N 1 3 303.450 2.411 20 0 DEADHO CCN1CCC([NH2+]CC2CCN(Cc3ccncc3)CC2)CC1 ZINC000658165335 425449556 /nfs/dbraw/zinc/44/95/56/425449556.db2.gz IOEZMDDMBGZQPN-UHFFFAOYSA-N 1 3 316.493 2.368 20 0 DEADHO CCN(C(=O)NC[C@H]1CCCCN1C1CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000664760661 425450077 /nfs/dbraw/zinc/45/00/77/425450077.db2.gz ZASZDXLTPZSTQZ-IAGOWNOFSA-N 1 3 322.497 2.129 20 0 DEADHO CCN(C(=O)NC[C@H]1CCCCN1C1CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000664760661 425450081 /nfs/dbraw/zinc/45/00/81/425450081.db2.gz ZASZDXLTPZSTQZ-IAGOWNOFSA-N 1 3 322.497 2.129 20 0 DEADHO CCN(C(=O)NC1CC([NH+]2CCCCC2)C1)[C@H]1CCN(CC)C1 ZINC000664792416 425455335 /nfs/dbraw/zinc/45/53/35/425455335.db2.gz RJUAMGAZBFMOIL-CGZBRXJRSA-N 1 3 322.497 2.129 20 0 DEADHO CCCN1CC[C@H]([NH2+][C@@H]2CCN(CCCOCC)C[C@H]2C)C1 ZINC000658286463 425466667 /nfs/dbraw/zinc/46/66/67/425466667.db2.gz AEHAQNIJFWLVBI-FGTMMUONSA-N 1 3 311.514 2.197 20 0 DEADHO C[C@H](CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C)[NH+](C)C ZINC000664868071 425468991 /nfs/dbraw/zinc/46/89/91/425468991.db2.gz VTTNRTOHCYCPEU-VYDXJSESSA-N 1 3 320.481 2.317 20 0 DEADHO CCCN1CC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000661858777 425515194 /nfs/dbraw/zinc/51/51/94/425515194.db2.gz VPGKUBVPLYMFTJ-HZPDHXFCSA-N 1 3 322.497 2.177 20 0 DEADHO CCCN1CC[C@@H](NC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000661858777 425515196 /nfs/dbraw/zinc/51/51/96/425515196.db2.gz VPGKUBVPLYMFTJ-HZPDHXFCSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000661896173 425520568 /nfs/dbraw/zinc/52/05/68/425520568.db2.gz FFIULXXXDPHNOX-INIZCTEOSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)Nc1cccc(C[NH3+])c1 ZINC000659018123 425521255 /nfs/dbraw/zinc/52/12/55/425521255.db2.gz LJPJUBMGJWFRQD-AWEZNQCLSA-N 1 3 304.438 2.387 20 0 DEADHO Fc1cccc([C@@H]2CCNC[C@@H]2[NH2+]C2CCN(C3CC3)CC2)c1 ZINC000665254316 425529404 /nfs/dbraw/zinc/52/94/04/425529404.db2.gz NDQBRKXGJQOVLR-OALUTQOASA-N 1 3 317.452 2.488 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCc1nsc2ccccc12 ZINC000665276482 425534306 /nfs/dbraw/zinc/53/43/06/425534306.db2.gz DNGYUUHPQBKFTK-FPMFFAJLSA-N 1 3 305.447 2.181 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCc1nsc2ccccc12 ZINC000665276482 425534310 /nfs/dbraw/zinc/53/43/10/425534310.db2.gz DNGYUUHPQBKFTK-FPMFFAJLSA-N 1 3 305.447 2.181 20 0 DEADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000665360882 425551847 /nfs/dbraw/zinc/55/18/47/425551847.db2.gz FGJREUYQULNDFS-ZBFHGGJFSA-N 1 3 324.513 2.231 20 0 DEADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000665364780 425554574 /nfs/dbraw/zinc/55/45/74/425554574.db2.gz WZDOPCBIMSMUPJ-HOTGVXAUSA-N 1 3 324.513 2.375 20 0 DEADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000665364780 425554578 /nfs/dbraw/zinc/55/45/78/425554578.db2.gz WZDOPCBIMSMUPJ-HOTGVXAUSA-N 1 3 324.513 2.375 20 0 DEADHO CC(C)(C)N1CC[C@H]1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000665367133 425554924 /nfs/dbraw/zinc/55/49/24/425554924.db2.gz QVCKJUXROPBWLQ-HOTGVXAUSA-N 1 3 322.497 2.129 20 0 DEADHO CC1CCC(N2CCN(C(=O)[C@H]3C[C@@]34CCC[NH2+]C4)CC2)CC1 ZINC000655448361 425569670 /nfs/dbraw/zinc/56/96/70/425569670.db2.gz GIJNMRNAIGTHPI-HTPOPCQBSA-N 1 3 319.493 2.099 20 0 DEADHO CO[C@@H](C[NH+]1CCC(N2CC[C@@H](O)C2)CC1)C1CCCCC1 ZINC000662148887 425575810 /nfs/dbraw/zinc/57/58/10/425575810.db2.gz LIMCTALNNRDZAF-MSOLQXFVSA-N 1 3 310.482 2.113 20 0 DEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C[C@H]1NCc2ccccc21 ZINC000659325700 425578781 /nfs/dbraw/zinc/57/87/81/425578781.db2.gz XKCKPWZHDYYNQG-XYPHTWIQSA-N 1 3 301.434 2.020 20 0 DEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C[C@H]1NCc2ccccc21 ZINC000659325700 425578784 /nfs/dbraw/zinc/57/87/84/425578784.db2.gz XKCKPWZHDYYNQG-XYPHTWIQSA-N 1 3 301.434 2.020 20 0 DEADHO CN[C@@H](C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659381840 425591276 /nfs/dbraw/zinc/59/12/76/425591276.db2.gz MXBRDCXHIBNKPN-RDJZCZTQSA-N 1 3 315.461 2.013 20 0 DEADHO CN[C@@H](C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659381840 425591282 /nfs/dbraw/zinc/59/12/82/425591282.db2.gz MXBRDCXHIBNKPN-RDJZCZTQSA-N 1 3 315.461 2.013 20 0 DEADHO CN(CC(C)(C)[NH3+])C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000659427884 425600238 /nfs/dbraw/zinc/60/02/38/425600238.db2.gz TUTMGQFXJZHNBT-CYBMUJFWSA-N 1 3 324.494 2.264 20 0 DEADHO Fc1cccc(C[C@H]2CCC[N@@H+]2C[C@@H]2CCC3(CNC3)O2)c1 ZINC000662251920 425602839 /nfs/dbraw/zinc/60/28/39/425602839.db2.gz IOEBISBTMHBQTF-SJORKVTESA-N 1 3 304.409 2.354 20 0 DEADHO Fc1cccc(C[C@H]2CCC[N@H+]2C[C@@H]2CCC3(CNC3)O2)c1 ZINC000662251920 425602844 /nfs/dbraw/zinc/60/28/44/425602844.db2.gz IOEBISBTMHBQTF-SJORKVTESA-N 1 3 304.409 2.354 20 0 DEADHO COc1ccccc1C[C@@H](C)[N@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662257829 425604397 /nfs/dbraw/zinc/60/43/97/425604397.db2.gz QRAVRSSRDXCFPZ-GDBMZVCRSA-N 1 3 304.434 2.079 20 0 DEADHO COc1ccccc1C[C@@H](C)[N@@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662257829 425604401 /nfs/dbraw/zinc/60/44/01/425604401.db2.gz QRAVRSSRDXCFPZ-GDBMZVCRSA-N 1 3 304.434 2.079 20 0 DEADHO Fc1ccc(CC[N@H+](C[C@H]2CCC3(CNC3)O2)C2CC2)cc1 ZINC000662256418 425604590 /nfs/dbraw/zinc/60/45/90/425604590.db2.gz VVHAUIKHTZWYJI-QGZVFWFLSA-N 1 3 304.409 2.354 20 0 DEADHO Fc1ccc(CC[N@@H+](C[C@H]2CCC3(CNC3)O2)C2CC2)cc1 ZINC000662256418 425604592 /nfs/dbraw/zinc/60/45/92/425604592.db2.gz VVHAUIKHTZWYJI-QGZVFWFLSA-N 1 3 304.409 2.354 20 0 DEADHO COc1ccccc1[C@H]1CCCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258946 425605059 /nfs/dbraw/zinc/60/50/59/425605059.db2.gz YWCXQZPWENYJOB-GDBMZVCRSA-N 1 3 302.418 2.353 20 0 DEADHO CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000659453255 425606602 /nfs/dbraw/zinc/60/66/02/425606602.db2.gz IDNZBSPFHBYEEN-NVXWUHKLSA-N 1 3 320.481 2.180 20 0 DEADHO CC[C@@H]([NH2+]C)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000662421205 425647124 /nfs/dbraw/zinc/64/71/24/425647124.db2.gz VNTXSSPJNZSOKI-DLBZAZTESA-N 1 3 303.450 2.155 20 0 DEADHO CCC[NH+]1CCC(CNC(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662432295 425650386 /nfs/dbraw/zinc/65/03/86/425650386.db2.gz PXBVAGYHTAOWTC-GOSISDBHSA-N 1 3 315.461 2.459 20 0 DEADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(CCOCc2ccccc2)CC1 ZINC000662281341 425612585 /nfs/dbraw/zinc/61/25/85/425612585.db2.gz JQOCHOIWMXNQKP-RTBURBONSA-N 1 3 318.461 2.422 20 0 DEADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3cc(C4CC4)no3)C2)C1 ZINC000662283713 425613647 /nfs/dbraw/zinc/61/36/47/425613647.db2.gz CRRYFDHZMRZKCQ-VBQJREDUSA-N 1 3 305.422 2.270 20 0 DEADHO CC(C)N(C(=O)CN1CCC([C@@H]2CCC[NH2+]C2)CC1)C(C)C ZINC000662290071 425614683 /nfs/dbraw/zinc/61/46/83/425614683.db2.gz HWZPKFOLNVVVII-QGZVFWFLSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](C(=O)N1CCCCC1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292194 425616428 /nfs/dbraw/zinc/61/64/28/425616428.db2.gz CBCSJCPVGGDYNO-WBVHZDCISA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292920 425616955 /nfs/dbraw/zinc/61/69/55/425616955.db2.gz BXVDDLYUNGXTDY-JZXOWHBKSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000659512514 425619084 /nfs/dbraw/zinc/61/90/84/425619084.db2.gz PQFZQFBJBQLGFC-IAGOWNOFSA-N 1 3 320.481 2.482 20 0 DEADHO CN(CCN1CCO[C@H](CCC[NH+](C)C)C1)Cc1ccccc1 ZINC000662326507 425624422 /nfs/dbraw/zinc/62/44/22/425624422.db2.gz VCUFTMJMIPPZCF-LJQANCHMSA-N 1 3 319.493 2.161 20 0 DEADHO CN(C)c1cccc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655708526 425634769 /nfs/dbraw/zinc/63/47/69/425634769.db2.gz JYWQIRCUMOSZAF-IBGZPJMESA-N 1 3 317.477 2.486 20 0 DEADHO C[C@@H]1CCC[C@@H](C)N1CC[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000655710493 425635631 /nfs/dbraw/zinc/63/56/31/425635631.db2.gz CEHQYXOVKMLLBN-JFIYKMOQSA-N 1 3 309.498 2.092 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cccc3c2CNC3)C1 ZINC000662386603 425637911 /nfs/dbraw/zinc/63/79/11/425637911.db2.gz KTFHXUOLPKRFBI-HUUCEWRRSA-N 1 3 315.461 2.388 20 0 DEADHO CC(C)[C@H]([NH3+])CCNC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000659624765 425638451 /nfs/dbraw/zinc/63/84/51/425638451.db2.gz TZDPXFZPCXLSRJ-QGZVFWFLSA-N 1 3 320.481 2.133 20 0 DEADHO CC1=C(C)CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000665762935 425640734 /nfs/dbraw/zinc/64/07/34/425640734.db2.gz UYKFWRAVYWHGQN-INIZCTEOSA-N 1 3 310.486 2.010 20 0 DEADHO CC1=C(C)CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000665762935 425640735 /nfs/dbraw/zinc/64/07/35/425640735.db2.gz UYKFWRAVYWHGQN-INIZCTEOSA-N 1 3 310.486 2.010 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC2(C1)CCCCC2 ZINC000665760463 425641152 /nfs/dbraw/zinc/64/11/52/425641152.db2.gz JCEWRWAKKGXRGT-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC2(C1)CCCCC2 ZINC000665760463 425641156 /nfs/dbraw/zinc/64/11/56/425641156.db2.gz JCEWRWAKKGXRGT-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO [NH3+]C1(CNC(=O)c2cc3c(s2)CCNC3)CCCCCC1 ZINC000662398315 425641957 /nfs/dbraw/zinc/64/19/57/425641957.db2.gz PXTMUXHWSVNRBW-UHFFFAOYSA-N 1 3 307.463 2.175 20 0 DEADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000662659035 425704702 /nfs/dbraw/zinc/70/47/02/425704702.db2.gz MUPQMLHSUWDUKD-KRWDZBQOSA-N 1 3 315.461 2.033 20 0 DEADHO CC(C)C[C@@H](N)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000662658859 425704739 /nfs/dbraw/zinc/70/47/39/425704739.db2.gz KNMFJLZPFPNBRW-ZWKOTPCHSA-N 1 3 317.477 2.135 20 0 DEADHO CC(C)C[C@@H](N)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000662658859 425704742 /nfs/dbraw/zinc/70/47/42/425704742.db2.gz KNMFJLZPFPNBRW-ZWKOTPCHSA-N 1 3 317.477 2.135 20 0 DEADHO C[C@@H](CNC(=O)c1cccc2c1CCNC2)[N@@H+]1CCCC[C@H]1C ZINC000662678566 425711121 /nfs/dbraw/zinc/71/11/21/425711121.db2.gz GFPPGOMMPZFTRT-CABCVRRESA-N 1 3 315.461 2.325 20 0 DEADHO C[C@@H](CNC(=O)c1cccc2c1CCNC2)[N@H+]1CCCC[C@H]1C ZINC000662678566 425711122 /nfs/dbraw/zinc/71/11/22/425711122.db2.gz GFPPGOMMPZFTRT-CABCVRRESA-N 1 3 315.461 2.325 20 0 DEADHO O=C(CCC1CC[NH2+]CC1)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000662685724 425712381 /nfs/dbraw/zinc/71/23/81/425712381.db2.gz GYMNNQJZVNZIRC-QGZVFWFLSA-N 1 3 317.433 2.066 20 0 DEADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C[C@@H]1NCc2ccccc21 ZINC000662694846 425713806 /nfs/dbraw/zinc/71/38/06/425713806.db2.gz UHLPKOBPFCWOGX-YJBOKZPZSA-N 1 3 315.461 2.458 20 0 DEADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C[C@@H]1NCc2ccccc21 ZINC000662694845 425713877 /nfs/dbraw/zinc/71/38/77/425713877.db2.gz UHLPKOBPFCWOGX-QAPCUYQASA-N 1 3 315.461 2.458 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000662694470 425714396 /nfs/dbraw/zinc/71/43/96/425714396.db2.gz QVYUVGYMDQNKMK-JKSUJKDBSA-N 1 3 309.498 2.249 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2[NH2+]CCC2(C)C)C1 ZINC000662696875 425715415 /nfs/dbraw/zinc/71/54/15/425715415.db2.gz XSHWVQVWEYOSDH-PVAVHDDUSA-N 1 3 315.461 2.326 20 0 DEADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C1(NC2CC2)CCC1 ZINC000662695951 425716392 /nfs/dbraw/zinc/71/63/92/425716392.db2.gz RAVGZHLWDAMVEA-RBSFLKMASA-N 1 3 307.482 2.144 20 0 DEADHO CCCN1CC[C@@H](NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)C1 ZINC000662702671 425717068 /nfs/dbraw/zinc/71/70/68/425717068.db2.gz CDBJQZFRKAVZLI-IAGOWNOFSA-N 1 3 315.461 2.279 20 0 DEADHO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000662837264 425744744 /nfs/dbraw/zinc/74/47/44/425744744.db2.gz HUDZVVAAFJXGSC-HZMVEIRTSA-N 1 3 307.482 2.417 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662836091 425744820 /nfs/dbraw/zinc/74/48/20/425744820.db2.gz VNPMIBVMNRHTOS-ZACQAIPSSA-N 1 3 307.482 2.417 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662836091 425744822 /nfs/dbraw/zinc/74/48/22/425744822.db2.gz VNPMIBVMNRHTOS-ZACQAIPSSA-N 1 3 307.482 2.417 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]2CC2CCCC2)C1 ZINC000656194566 425727908 /nfs/dbraw/zinc/72/79/08/425727908.db2.gz KNEDCBLEJIIOEI-IRXDYDNUSA-N 1 3 307.482 2.228 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]2CC2CCCC2)C1 ZINC000656194566 425727909 /nfs/dbraw/zinc/72/79/09/425727909.db2.gz KNEDCBLEJIIOEI-IRXDYDNUSA-N 1 3 307.482 2.228 20 0 DEADHO N[C@@H]1CCC[C@@H]([NH2+]CCCN2CCN(c3ccccc3)CC2)C1 ZINC000656197142 425728201 /nfs/dbraw/zinc/72/82/01/425728201.db2.gz IOCSZHYDKBVJLS-QZTJIDSGSA-N 1 3 316.493 2.058 20 0 DEADHO O=C(NCC1CC[NH+](CC2CC2)CC1)c1cccc2c1CNC2 ZINC000662983204 425771742 /nfs/dbraw/zinc/77/17/42/425771742.db2.gz WPABLVATAXQVOE-UHFFFAOYSA-N 1 3 313.445 2.142 20 0 DEADHO FC(F)CN1CCC([NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000656493890 425782349 /nfs/dbraw/zinc/78/23/49/425782349.db2.gz QTPYYOGODAGEFN-UHFFFAOYSA-N 1 3 324.419 2.370 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000660402474 425808378 /nfs/dbraw/zinc/80/83/78/425808378.db2.gz HGVOHSWKBKEURF-IAGOWNOFSA-N 1 3 324.513 2.425 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000660402474 425808381 /nfs/dbraw/zinc/80/83/81/425808381.db2.gz HGVOHSWKBKEURF-IAGOWNOFSA-N 1 3 324.513 2.425 20 0 DEADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)CCC(C)(C)[NH3+])C1 ZINC000662872002 425753158 /nfs/dbraw/zinc/75/31/58/425753158.db2.gz HKPIJHOOCFAOCL-QGZVFWFLSA-N 1 3 317.477 2.279 20 0 DEADHO CCC(CC)(C[NH3+])C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000662881665 425754344 /nfs/dbraw/zinc/75/43/44/425754344.db2.gz AKJVLAKOEUXLJV-OAHLLOKOSA-N 1 3 305.422 2.051 20 0 DEADHO CC(CCN(C)Cc1cn[nH]c1)CC[N@H+](C)Cc1cn[nH]c1 ZINC000663320764 425827511 /nfs/dbraw/zinc/82/75/11/425827511.db2.gz LAIGQHSSEGFODV-UHFFFAOYSA-N 1 3 304.442 2.113 20 0 DEADHO CC(CCN(C)Cc1cn[nH]c1)CC[N@@H+](C)Cc1cn[nH]c1 ZINC000663320764 425827513 /nfs/dbraw/zinc/82/75/13/425827513.db2.gz LAIGQHSSEGFODV-UHFFFAOYSA-N 1 3 304.442 2.113 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCCC[C@@H]1C ZINC000663417279 425837214 /nfs/dbraw/zinc/83/72/14/425837214.db2.gz ZUHWCWVYHNHEDX-JYJNAYRXSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCCC[C@@H]1C ZINC000663417279 425837215 /nfs/dbraw/zinc/83/72/15/425837215.db2.gz ZUHWCWVYHNHEDX-JYJNAYRXSA-N 1 3 312.502 2.136 20 0 DEADHO Cc1ccc([C@H](CNC(=O)C(C)(C)C[NH3+])N2CCCC2)cc1 ZINC000237786876 268603524 /nfs/dbraw/zinc/60/35/24/268603524.db2.gz NQZPXMXULASDJP-INIZCTEOSA-N 1 3 303.450 2.233 20 0 DEADHO C[NH+]1CCC(CNCc2ccnn2-c2ccc(F)cc2)CC1 ZINC000354336207 269035225 /nfs/dbraw/zinc/03/52/25/269035225.db2.gz WKKKDZITALPPOA-UHFFFAOYSA-N 1 3 302.397 2.443 20 0 DEADHO C[C@H](c1ccc(OC(F)F)cc1)N1CCC(O)(C[NH3+])CC1 ZINC000397002162 269104661 /nfs/dbraw/zinc/10/46/61/269104661.db2.gz IPBPQFHAXVNYKR-LLVKDONJSA-N 1 3 300.349 2.135 20 0 DEADHO COc1ccc2cc(CN3CCC(O)(C[NH3+])CC3)ccc2c1 ZINC000397016211 269105027 /nfs/dbraw/zinc/10/50/27/269105027.db2.gz PNZDKHJZUWUWOW-UHFFFAOYSA-N 1 3 300.402 2.134 20 0 DEADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000397517750 269106997 /nfs/dbraw/zinc/10/69/97/269106997.db2.gz STEMERCBZJLNCK-WMZOPIPTSA-N 1 3 318.461 2.171 20 0 DEADHO C[C@H]1C[C@@H](NCCN2CCCC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000515065074 269342408 /nfs/dbraw/zinc/34/24/08/269342408.db2.gz NYWKDPPREGNIDT-WMZOPIPTSA-N 1 3 315.461 2.252 20 0 DEADHO C[C@H]1C[C@@H](NCCN2CCCC2=O)CC[N@H+]1Cc1ccccc1 ZINC000515065074 269342409 /nfs/dbraw/zinc/34/24/09/269342409.db2.gz NYWKDPPREGNIDT-WMZOPIPTSA-N 1 3 315.461 2.252 20 0 DEADHO COCCOc1ccc(CN2CCC(CC[NH3+])CC2)cc1OC ZINC000516574162 269364336 /nfs/dbraw/zinc/36/43/36/269364336.db2.gz LKECRAINZXGZDH-UHFFFAOYSA-N 1 3 322.449 2.281 20 0 DEADHO CC(C)(C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@@H](N)c1ccccc1 ZINC000516916597 269372300 /nfs/dbraw/zinc/37/23/00/269372300.db2.gz XVGDEGDHENMOLY-BBWFWOEESA-N 1 3 315.461 2.217 20 0 DEADHO Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCC(CC[NH3+])CC1 ZINC000517241026 269380677 /nfs/dbraw/zinc/38/06/77/269380677.db2.gz PLEBMDCJHNTBDR-MRXNPFEDSA-N 1 3 317.477 2.403 20 0 DEADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)CNC1CC1 ZINC000517238830 269380683 /nfs/dbraw/zinc/38/06/83/269380683.db2.gz HRCQURAZQKWUAM-HUUCEWRRSA-N 1 3 315.461 2.011 20 0 DEADHO O=C1Nc2ccccc2CC[C@@H]1N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420321461 275024974 /nfs/dbraw/zinc/02/49/74/275024974.db2.gz VGQWRJMFOBNDEM-AEFFLSMTSA-N 1 3 313.445 2.261 20 0 DEADHO O[C@H]1C[NH2+]C[C@@H]1CNCCCc1c(Cl)cccc1Cl ZINC000346022452 275059144 /nfs/dbraw/zinc/05/91/44/275059144.db2.gz VAVLSWMLUPVMTL-HZMBPMFUSA-N 1 3 303.233 2.096 20 0 DEADHO CC(C)[C@](C)(O)CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422982028 276037887 /nfs/dbraw/zinc/03/78/87/276037887.db2.gz VESPDGQPKFZVKA-NXHRZFHOSA-N 1 3 304.434 2.239 20 0 DEADHO CC1CCC(N2CCN(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)CC2)CC1 ZINC000418598262 276190199 /nfs/dbraw/zinc/19/01/99/276190199.db2.gz YQXHCKIHRRWXHV-JCCCHCCOSA-N 1 3 322.497 2.162 20 0 DEADHO CC1CCC(N2CCN(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)CC2)CC1 ZINC000418598264 276190240 /nfs/dbraw/zinc/19/02/40/276190240.db2.gz YQXHCKIHRRWXHV-YZUHTNEWSA-N 1 3 322.497 2.162 20 0 DEADHO CCOC(=O)c1csc(CC[NH2+][C@@H]2CCCCC[C@H]2N)n1 ZINC000423065743 276303572 /nfs/dbraw/zinc/30/35/72/276303572.db2.gz BWPPDLXSSLNKPP-VXGBXAGGSA-N 1 3 311.451 2.112 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)[C@H](C)C1 ZINC000352901166 276316259 /nfs/dbraw/zinc/31/62/59/276316259.db2.gz LBPSBCRGUILLNT-KCITZHQASA-N 1 3 323.525 2.196 20 0 DEADHO CC[C@H](CS(=O)(=O)c1ccccc1)NC1CCC(C[NH3+])CC1 ZINC000423006796 276572385 /nfs/dbraw/zinc/57/23/85/276572385.db2.gz WKRCWEPSPCETKT-HWOWSKLDSA-N 1 3 324.490 2.346 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000417353575 287929652 /nfs/dbraw/zinc/92/96/52/287929652.db2.gz JLBKQGHOAQOVRT-IRXDYDNUSA-N 1 3 318.465 2.168 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CCN(C(C)C)C2)CC1 ZINC000457589918 277383751 /nfs/dbraw/zinc/38/37/51/277383751.db2.gz YLGVJPAKCZSECI-QGZVFWFLSA-N 1 3 324.513 2.231 20 0 DEADHO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357075375 277547216 /nfs/dbraw/zinc/54/72/16/277547216.db2.gz HJPBLQJRRYVNBH-DFGXFYAUSA-N 1 3 321.509 2.201 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)NC[C@@]1(C)CCC[NH2+]C1 ZINC000423329656 278057339 /nfs/dbraw/zinc/05/73/39/278057339.db2.gz NABDKJSYKVQWCD-KSSFIOAISA-N 1 3 319.449 2.392 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423329656 278057340 /nfs/dbraw/zinc/05/73/40/278057340.db2.gz NABDKJSYKVQWCD-KSSFIOAISA-N 1 3 319.449 2.392 20 0 DEADHO CC1(C)CCCN[C@H]1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000423333794 278222668 /nfs/dbraw/zinc/22/26/68/278222668.db2.gz OOMCQUUYRLKFHF-INIZCTEOSA-N 1 3 307.482 2.288 20 0 DEADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H](N)C3CCC3)C2)CC1 ZINC000423359327 278546650 /nfs/dbraw/zinc/54/66/50/278546650.db2.gz OWYLFYKSAHKWND-DOTOQJQBSA-N 1 3 307.482 2.084 20 0 DEADHO CC(C)(CNC(=O)NCCC[C@@H]1CCC[NH2+]1)N1CCCCC1 ZINC000416822854 278616586 /nfs/dbraw/zinc/61/65/86/278616586.db2.gz GGLAOLFSDLVOHS-HNNXBMFYSA-N 1 3 310.486 2.082 20 0 DEADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000340896262 288096463 /nfs/dbraw/zinc/09/64/63/288096463.db2.gz IVWLMPICQOPGNM-KBAYOESNSA-N 1 3 315.461 2.137 20 0 DEADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000340896262 288096465 /nfs/dbraw/zinc/09/64/65/288096465.db2.gz IVWLMPICQOPGNM-KBAYOESNSA-N 1 3 315.461 2.137 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H]1CCN(CCOC)C1 ZINC000346433500 279121111 /nfs/dbraw/zinc/12/11/11/279121111.db2.gz HMYKJGMAGIOWMS-KSZLIROESA-N 1 3 311.514 2.197 20 0 DEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCCN(c2ccnn2C)C1 ZINC000423085681 279368014 /nfs/dbraw/zinc/36/80/14/279368014.db2.gz KGVNNWIYTLZAMC-IKGGRYGDSA-N 1 3 319.497 2.289 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](OC)C2)CC1 ZINC000091772718 279375410 /nfs/dbraw/zinc/37/54/10/279375410.db2.gz PFVBRGXTWOYXKL-SFHVURJKSA-N 1 3 317.477 2.439 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](OC)C2)CC1 ZINC000091772718 279375412 /nfs/dbraw/zinc/37/54/12/279375412.db2.gz PFVBRGXTWOYXKL-SFHVURJKSA-N 1 3 317.477 2.439 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+][C@@H](C)CC(C)(C)O)CC1 ZINC000449447702 279375586 /nfs/dbraw/zinc/37/55/86/279375586.db2.gz BERGJEKLPUTXFO-INIZCTEOSA-N 1 3 319.493 2.468 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000491002971 279376586 /nfs/dbraw/zinc/37/65/86/279376586.db2.gz LRGXNMRBTKEYRK-HOTGVXAUSA-N 1 3 324.513 2.231 20 0 DEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000491002971 279376590 /nfs/dbraw/zinc/37/65/90/279376590.db2.gz LRGXNMRBTKEYRK-HOTGVXAUSA-N 1 3 324.513 2.231 20 0 DEADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000351849586 280097935 /nfs/dbraw/zinc/09/79/35/280097935.db2.gz PGOUUFPTVPDPBT-CABCVRRESA-N 1 3 312.502 2.088 20 0 DEADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000351849586 280097938 /nfs/dbraw/zinc/09/79/38/280097938.db2.gz PGOUUFPTVPDPBT-CABCVRRESA-N 1 3 312.502 2.088 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCCCC1 ZINC000362676732 280160499 /nfs/dbraw/zinc/16/04/99/280160499.db2.gz ZMEDNIBRSPSATE-IXDOHACOSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCCCC1 ZINC000362676732 280160503 /nfs/dbraw/zinc/16/05/03/280160503.db2.gz ZMEDNIBRSPSATE-IXDOHACOSA-N 1 3 307.482 2.192 20 0 DEADHO O=C1Nc2ccccc2CC[C@@H]1N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420319519 280303807 /nfs/dbraw/zinc/30/38/07/280303807.db2.gz AKCASQQRGYWFFT-JZXOWHBKSA-N 1 3 313.445 2.261 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)C[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000163603545 288548336 /nfs/dbraw/zinc/54/83/36/288548336.db2.gz HINHCGNHIDQZOJ-DLBZAZTESA-N 1 3 303.450 2.110 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000342764084 288847434 /nfs/dbraw/zinc/84/74/34/288847434.db2.gz FSGGMMBYADOOHH-SOUVJXGZSA-N 1 3 321.490 2.389 20 0 DEADHO CN1CC[C@@H]2CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H]2C1 ZINC000353404642 289182664 /nfs/dbraw/zinc/18/26/64/289182664.db2.gz HSXIZECXJFWXJK-OAGGEKHMSA-N 1 3 324.513 2.088 20 0 DEADHO CN(C)C[C@H](NC(=O)NCC1([NH3+])CCC1)c1ccc(Cl)cc1 ZINC000418506652 289207724 /nfs/dbraw/zinc/20/77/24/289207724.db2.gz GVNCURAZZIOOOZ-AWEZNQCLSA-N 1 3 324.856 2.123 20 0 DEADHO COc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2CN)c(OC)c1OC ZINC000422698850 295121883 /nfs/dbraw/zinc/12/18/83/295121883.db2.gz BKFYGUABHLUHAB-CABCVRRESA-N 1 3 322.449 2.362 20 0 DEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000422821450 295255977 /nfs/dbraw/zinc/25/59/77/295255977.db2.gz WHEQVWVSHKEQKG-KBPBESRZSA-N 1 3 307.404 2.368 20 0 DEADHO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000237941033 295320062 /nfs/dbraw/zinc/32/00/62/295320062.db2.gz BNJLOXYWBOYSHJ-MCIONIFRSA-N 1 3 307.463 2.129 20 0 DEADHO Cc1cc(Cl)c2c(c1)[C@@H](NCCN1CC[NH2+]CC1)CCCO2 ZINC000423201978 301284070 /nfs/dbraw/zinc/28/40/70/301284070.db2.gz JXMRHDQGNHHRBH-INIZCTEOSA-N 1 3 323.868 2.357 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H]([NH3+])C(C)C)N(C)C ZINC000418162234 302200803 /nfs/dbraw/zinc/20/08/03/302200803.db2.gz CMFUGZSZPLAECH-OIISXLGYSA-N 1 3 320.481 2.269 20 0 DEADHO Cc1nn(C)cc1[C@H](C)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000247149682 302801383 /nfs/dbraw/zinc/80/13/83/302801383.db2.gz WZIJAPZKNHHCMU-KKUMJFAQSA-N 1 3 308.470 2.269 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccnc(OC2CCOCC2)c1 ZINC000572951652 326002239 /nfs/dbraw/zinc/00/22/39/326002239.db2.gz KWBZYWGPWIDSTJ-DOTOQJQBSA-N 1 3 319.449 2.247 20 0 DEADHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)COc2c(C)cccc2C)C1 ZINC000573358793 326049657 /nfs/dbraw/zinc/04/96/57/326049657.db2.gz STDFIGWSVCJILF-ROUUACIJSA-N 1 3 320.477 2.365 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H](CO)Cc2cc(F)c(F)c(F)c2)C1 ZINC000573933743 326107197 /nfs/dbraw/zinc/10/71/97/326107197.db2.gz IQHHOSKPXNOCHS-JHJVBQTASA-N 1 3 316.367 2.114 20 0 DEADHO C[C@H](C[NH2+]C1CCC(N2CCC(C)CC2)CC1)S(C)(=O)=O ZINC000576100761 326269195 /nfs/dbraw/zinc/26/91/95/326269195.db2.gz BXIJGWDKQOQFMF-QQFBHYJXSA-N 1 3 316.511 2.052 20 0 DEADHO OC[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCC1 ZINC000576218793 326277464 /nfs/dbraw/zinc/27/74/64/326277464.db2.gz UUQZNQSLFOXXCJ-LNLFQRSKSA-N 1 3 316.445 2.383 20 0 DEADHO C[N@H+](C[C@H](O)CNCC1(Sc2ccccc2)CC1)C1CC1 ZINC000577172221 326347091 /nfs/dbraw/zinc/34/70/91/326347091.db2.gz MGSGLSTYJORFBF-OAHLLOKOSA-N 1 3 306.475 2.356 20 0 DEADHO C[N@@H+](C[C@H](O)CNCC1(Sc2ccccc2)CC1)C1CC1 ZINC000577172221 326347092 /nfs/dbraw/zinc/34/70/92/326347092.db2.gz MGSGLSTYJORFBF-OAHLLOKOSA-N 1 3 306.475 2.356 20 0 DEADHO CO[C@@H]1COC[C@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000583379032 332374092 /nfs/dbraw/zinc/37/40/92/332374092.db2.gz BDZIRDVIURHWLA-QZTJIDSGSA-N 1 3 304.434 2.176 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000582773715 337146463 /nfs/dbraw/zinc/14/64/63/337146463.db2.gz FIPXFOONMWYKIP-KRWDZBQOSA-N 1 3 316.449 2.328 20 0 DEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000582773715 337146464 /nfs/dbraw/zinc/14/64/64/337146464.db2.gz FIPXFOONMWYKIP-KRWDZBQOSA-N 1 3 316.449 2.328 20 0 DEADHO CC(C)[NH2+]CCC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000582954266 337222090 /nfs/dbraw/zinc/22/20/90/337222090.db2.gz LLJDXNHAWYNLKK-UHFFFAOYSA-N 1 3 303.328 2.491 20 0 DEADHO C[C@@H](CC[NH2+]C[C@H](O)COc1ccc(F)cc1)N1CCCCC1 ZINC000583020746 337225785 /nfs/dbraw/zinc/22/57/85/337225785.db2.gz WOEBKHSZQLPRIV-RDJZCZTQSA-N 1 3 324.440 2.420 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCCC[NH2+]2)CN1Cc1ccccc1 ZINC000398009919 337303876 /nfs/dbraw/zinc/30/38/76/337303876.db2.gz CFUHHTORTUNKIK-NJAFHUGGSA-N 1 3 315.461 2.298 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@H]1CCC[NH2+]1)N(C)C ZINC000583742469 337327981 /nfs/dbraw/zinc/32/79/81/337327981.db2.gz UQOHQMVZRPZXTA-ZOBUZTSGSA-N 1 3 318.465 2.037 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H]1CCC[NH2+]1)N(C)C ZINC000583742466 337328045 /nfs/dbraw/zinc/32/80/45/337328045.db2.gz UQOHQMVZRPZXTA-INMHGKMJSA-N 1 3 318.465 2.037 20 0 DEADHO Cc1ccc(NC(=O)N[C@H](C)C[C@@H](C)[NH3+])c(OCCN(C)C)c1 ZINC000577492667 341912516 /nfs/dbraw/zinc/91/25/16/341912516.db2.gz NDVDPBAZUKNZJB-ZIAGYGMSSA-N 1 3 322.453 2.183 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C1CC[NH+](CCC2CC2)CC1)N(C)C ZINC001369570622 1149044343 /nfs/dbraw/zinc/04/43/43/1149044343.db2.gz PXQAUSZMRMAJEW-YOEHRIQHSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CNC(=O)CN(C)C(C)C)cc1F ZINC001399156309 1161262669 /nfs/dbraw/zinc/26/26/69/1161262669.db2.gz HFWYSUBCRHJKIY-AWEZNQCLSA-N 1 3 309.429 2.069 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)NCC1([NH3+])CCC1)c1ccccc1 ZINC000417712425 533784016 /nfs/dbraw/zinc/78/40/16/533784016.db2.gz WZNCDTJUROIRKA-AWEZNQCLSA-N 1 3 318.465 2.296 20 0 DEADHO C[C@H](CC[NH3+])NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000418525413 533897447 /nfs/dbraw/zinc/89/74/47/533897447.db2.gz MIJWMNQOEOTRAM-HZPDHXFCSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)N1CCCC[C@H]1C ZINC000443625057 533911949 /nfs/dbraw/zinc/91/19/49/533911949.db2.gz HJJHIKDZCHEAHW-NCOADZHNSA-N 1 3 324.513 2.231 20 0 DEADHO C[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)N1CCCC[C@H]1C ZINC000443625057 533911952 /nfs/dbraw/zinc/91/19/52/533911952.db2.gz HJJHIKDZCHEAHW-NCOADZHNSA-N 1 3 324.513 2.231 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CC[C@H](CNC/C(Cl)=C\Cl)C1 ZINC001442142048 1182343565 /nfs/dbraw/zinc/34/35/65/1182343565.db2.gz BAMPOFLNQYDBTI-FMNNIJNLSA-N 1 3 322.280 2.085 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](CNC/C(Cl)=C\Cl)C1 ZINC001442142048 1182343572 /nfs/dbraw/zinc/34/35/72/1182343572.db2.gz BAMPOFLNQYDBTI-FMNNIJNLSA-N 1 3 322.280 2.085 20 0 DEADHO C[C@H](NCc1cccc(OCCN(C)C)c1)[C@@H]1CCCC[NH2+]1 ZINC000422896200 533929183 /nfs/dbraw/zinc/92/91/83/533929183.db2.gz HPJVQEZONTYEFE-YJBOKZPZSA-N 1 3 305.466 2.247 20 0 DEADHO Cc1ccc(CNC(=O)[C@H](C)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443058213 534040862 /nfs/dbraw/zinc/04/08/62/534040862.db2.gz JTXVZBRBWPJIOB-RDJZCZTQSA-N 1 3 303.450 2.061 20 0 DEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000422954726 534072353 /nfs/dbraw/zinc/07/23/53/534072353.db2.gz IDWMDGCGDBFSSX-NVXWUHKLSA-N 1 3 315.461 2.334 20 0 DEADHO COc1ccccc1N1CC[C@H](C[NH2+][C@H]2CCNCC[C@H]2C)C1 ZINC000422857526 534150378 /nfs/dbraw/zinc/15/03/78/534150378.db2.gz YKEYIAYQJXVPLI-ZACQAIPSSA-N 1 3 317.477 2.499 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C)cc1C ZINC001401676347 1162072181 /nfs/dbraw/zinc/07/21/81/1162072181.db2.gz XCEBOYKYQGUMEN-MRXNPFEDSA-N 1 3 305.466 2.238 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)N[C@H](C)CCC[NH3+])N(C)C)cc1 ZINC000417312624 534220349 /nfs/dbraw/zinc/22/03/49/534220349.db2.gz NYFRWAOFIJALMD-GDBMZVCRSA-N 1 3 306.454 2.024 20 0 DEADHO C[C@H](C[NH2+][C@H](C)c1ccccc1F)N(C)C(=O)CN1CCCC1 ZINC001378853882 1152468780 /nfs/dbraw/zinc/46/87/80/1152468780.db2.gz PKHWNTFUMSUJDX-HUUCEWRRSA-N 1 3 321.440 2.419 20 0 DEADHO CC[NH+](CC)[C@H](C)CNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000487858989 517642361 /nfs/dbraw/zinc/64/23/61/517642361.db2.gz NGZIUWSCNRSYHW-QBPKDAKJSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@@H]1CN(C(C)(C)CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000422797398 534436102 /nfs/dbraw/zinc/43/61/02/534436102.db2.gz MJUNRHQVOPADQI-HSFUPAIVSA-N 1 3 323.525 2.385 20 0 DEADHO CC[NH+](CC)CC1CCN([C@@H]2CCCN(C(C)C)C2=O)CC1 ZINC000336855618 520587876 /nfs/dbraw/zinc/58/78/76/520587876.db2.gz IQXONOWRQMIGSL-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CCN1CCC(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000337344356 521574628 /nfs/dbraw/zinc/57/46/28/521574628.db2.gz TXWOKSCIGIXDCJ-HUUCEWRRSA-N 1 3 310.486 2.033 20 0 DEADHO CCN1CCC(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000337344356 521574635 /nfs/dbraw/zinc/57/46/35/521574635.db2.gz TXWOKSCIGIXDCJ-HUUCEWRRSA-N 1 3 310.486 2.033 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000111882996 521601666 /nfs/dbraw/zinc/60/16/66/521601666.db2.gz QGMYIBDTAUZHTD-IRXDYDNUSA-N 1 3 322.497 2.131 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000155672777 521950420 /nfs/dbraw/zinc/95/04/20/521950420.db2.gz TUXURALEZWZRIF-SZMVWBNQSA-N 1 3 317.477 2.041 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000155672777 521950423 /nfs/dbraw/zinc/95/04/23/521950423.db2.gz TUXURALEZWZRIF-SZMVWBNQSA-N 1 3 317.477 2.041 20 0 DEADHO COC1(CCN2CCN(C3CC[NH+](C(C)C)CC3)CC2)CCC1 ZINC000339043653 522593453 /nfs/dbraw/zinc/59/34/53/522593453.db2.gz NAVVKJACJQAREE-UHFFFAOYSA-N 1 3 323.525 2.436 20 0 DEADHO Cc1cnccc1C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000294964135 534708852 /nfs/dbraw/zinc/70/88/52/534708852.db2.gz CPVQUVFJJUELOE-QZTJIDSGSA-N 1 3 303.450 2.248 20 0 DEADHO C[C@H](CN1CCOCC1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000156725396 524357343 /nfs/dbraw/zinc/35/73/43/524357343.db2.gz DCICLCQSRWAWPT-MRXNPFEDSA-N 1 3 309.498 2.094 20 0 DEADHO C[C@@H](CN1CCN(C)CC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000154895149 524621007 /nfs/dbraw/zinc/62/10/07/524621007.db2.gz MPRGDXCSBDYYLJ-KRWDZBQOSA-N 1 3 322.541 2.009 20 0 DEADHO Cc1ccccc1C[NH+]1CCC(CN2CCN(C)CC2)CC1 ZINC000369510328 525137418 /nfs/dbraw/zinc/13/74/18/525137418.db2.gz FDLPIXCSAWPRTC-UHFFFAOYSA-N 1 3 301.478 2.454 20 0 DEADHO CC(C)(CC[NH3+])NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000422590632 527024756 /nfs/dbraw/zinc/02/47/56/527024756.db2.gz ATHLAJGIFADCLR-MRXNPFEDSA-N 1 3 318.465 2.078 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]CC2(N(C)C)CC2)CC1 ZINC000418117384 527711233 /nfs/dbraw/zinc/71/12/33/527711233.db2.gz STSVFLBVJKPIOX-UHFFFAOYSA-N 1 3 316.493 2.012 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000418448013 527831348 /nfs/dbraw/zinc/83/13/48/527831348.db2.gz IYOSZXSWHOVXBR-DOTOQJQBSA-N 1 3 318.465 2.060 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000418448013 527831354 /nfs/dbraw/zinc/83/13/54/527831354.db2.gz IYOSZXSWHOVXBR-DOTOQJQBSA-N 1 3 318.465 2.060 20 0 DEADHO CC[NH2+]CCNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000417675565 528311633 /nfs/dbraw/zinc/31/16/33/528311633.db2.gz CDOILOYTLFQBAG-HNNXBMFYSA-N 1 3 318.465 2.121 20 0 DEADHO CCN(CCNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1)C1CC1 ZINC000417434279 528487039 /nfs/dbraw/zinc/48/70/39/528487039.db2.gz XALXLPLFTJABPX-RDJZCZTQSA-N 1 3 322.497 2.034 20 0 DEADHO CCC[NH2+]CCNC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000418174500 528499400 /nfs/dbraw/zinc/49/94/00/528499400.db2.gz FBDGWOYCKFMZOA-DOTOQJQBSA-N 1 3 320.481 2.285 20 0 DEADHO CCC[NH2+]CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000418174502 528499420 /nfs/dbraw/zinc/49/94/20/528499420.db2.gz FBDGWOYCKFMZOA-RDJZCZTQSA-N 1 3 320.481 2.285 20 0 DEADHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000417309515 528809551 /nfs/dbraw/zinc/80/95/51/528809551.db2.gz ISVKRBPPMOZXST-DLBZAZTESA-N 1 3 320.481 2.414 20 0 DEADHO CCCn1nc(C)c(C[NH2+]CCN2CCN(C)C(C)(C)C2)c1C ZINC000441361978 528877076 /nfs/dbraw/zinc/87/70/76/528877076.db2.gz ZZYDGXHNXUFSGP-UHFFFAOYSA-N 1 3 321.513 2.026 20 0 DEADHO CC(C)[C@H]([NH3+])CNC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000417708501 529057698 /nfs/dbraw/zinc/05/76/98/529057698.db2.gz SCYBSJRGZNUUOF-GDBMZVCRSA-N 1 3 320.481 2.398 20 0 DEADHO CCN(C(=O)[C@H]1CC[NH2+]1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000444159168 529062728 /nfs/dbraw/zinc/06/27/28/529062728.db2.gz ITLGKFPEZJOCLX-USXIJHARSA-N 1 3 301.434 2.032 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@](C)(C[NH3+])C1)c1ccco1 ZINC000418169449 529182502 /nfs/dbraw/zinc/18/25/02/529182502.db2.gz PWYSVQASQAZBJA-JJRVBVJISA-N 1 3 322.453 2.089 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)NCC1([NH3+])CCCCC1 ZINC000417697622 529200798 /nfs/dbraw/zinc/20/07/98/529200798.db2.gz ICEHHWTWZSVXKM-HNNXBMFYSA-N 1 3 310.486 2.212 20 0 DEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@H](C)NC[C@@H]2C)C1 ZINC000417590249 529296849 /nfs/dbraw/zinc/29/68/49/529296849.db2.gz WFEDPMWERRQKSM-HRCADAONSA-N 1 3 324.513 2.279 20 0 DEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@H](C)NC[C@@H]2C)C1 ZINC000417590249 529296853 /nfs/dbraw/zinc/29/68/53/529296853.db2.gz WFEDPMWERRQKSM-HRCADAONSA-N 1 3 324.513 2.279 20 0 DEADHO CC[C@H](CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])Oc1ccccc1F ZINC000422821289 529369530 /nfs/dbraw/zinc/36/95/30/529369530.db2.gz VIRKQXBVRRJKNM-DSJMHWKBSA-N 1 3 310.413 2.325 20 0 DEADHO CC(C)[C@H](CN[C@H](C)C[C@H]1CCCCC[NH2+]1)N1CCN(C)CC1 ZINC000321029377 535021553 /nfs/dbraw/zinc/02/15/53/535021553.db2.gz WMIBLVNNXOQGQO-QRVBRYPASA-N 1 3 324.557 2.159 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCOC[C@@H](C3CCC3)C2)CC1 ZINC000368354439 535198721 /nfs/dbraw/zinc/19/87/21/535198721.db2.gz IRXAYWOSXAWILN-IBGZPJMESA-N 1 3 323.525 2.151 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCOC[C@@H](C3CCC3)C2)CC1 ZINC000368354439 535198723 /nfs/dbraw/zinc/19/87/23/535198723.db2.gz IRXAYWOSXAWILN-IBGZPJMESA-N 1 3 323.525 2.151 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000358145803 535231163 /nfs/dbraw/zinc/23/11/63/535231163.db2.gz TWCYPQPPJVTGPP-NVXWUHKLSA-N 1 3 324.513 2.423 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000358145803 535231167 /nfs/dbraw/zinc/23/11/67/535231167.db2.gz TWCYPQPPJVTGPP-NVXWUHKLSA-N 1 3 324.513 2.423 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC[C@@H](O)COC(C)C ZINC000348321087 535578067 /nfs/dbraw/zinc/57/80/67/535578067.db2.gz RXLRKHWFFSXXEB-BBWFWOEESA-N 1 3 300.487 2.263 20 0 DEADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COC(C)C ZINC000348321087 535578071 /nfs/dbraw/zinc/57/80/71/535578071.db2.gz RXLRKHWFFSXXEB-BBWFWOEESA-N 1 3 300.487 2.263 20 0 DEADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](N)CC(F)F)cc1 ZINC000319159135 535606809 /nfs/dbraw/zinc/60/68/09/535606809.db2.gz FKHNWKVIZIDLAJ-AWEZNQCLSA-N 1 3 313.392 2.127 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)[C@H](N)CC(F)F)c1ccccc1 ZINC000319362704 535676259 /nfs/dbraw/zinc/67/62/59/535676259.db2.gz SPKGAJZEGOPGPY-ZIAGYGMSSA-N 1 3 313.392 2.168 20 0 DEADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccnc(OCCN(C)C)c1 ZINC000354651818 535681549 /nfs/dbraw/zinc/68/15/49/535681549.db2.gz QUVFBBCEUISUNG-IRXDYDNUSA-N 1 3 321.465 2.317 20 0 DEADHO CC[N@H+](CCC1CCN(C(=O)/C=C/CN(C)C)CC1)CC1CC1 ZINC000492362023 535713257 /nfs/dbraw/zinc/71/32/57/535713257.db2.gz FLHNQECVAUKGBM-AATRIKPKSA-N 1 3 321.509 2.465 20 0 DEADHO CC[N@@H+](CCC1CCN(C(=O)/C=C/CN(C)C)CC1)CC1CC1 ZINC000492362023 535713262 /nfs/dbraw/zinc/71/32/62/535713262.db2.gz FLHNQECVAUKGBM-AATRIKPKSA-N 1 3 321.509 2.465 20 0 DEADHO CCN1CC[C@H]([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000246877805 535768122 /nfs/dbraw/zinc/76/81/22/535768122.db2.gz CXSYDXYEGDOCEF-XSLAGTTESA-N 1 3 311.514 2.196 20 0 DEADHO CN(C)CCOc1ccc(NC(=O)[C@@H]2CCCCC[NH2+]2)cc1 ZINC000316117690 535909287 /nfs/dbraw/zinc/90/92/87/535909287.db2.gz IZOXPSMYFIAFFI-INIZCTEOSA-N 1 3 305.422 2.098 20 0 DEADHO CCn1nnc(C)c1CNCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000449084799 535914290 /nfs/dbraw/zinc/91/42/90/535914290.db2.gz YVWAGYOYZKLSPE-GASCZTMLSA-N 1 3 307.486 2.454 20 0 DEADHO CCn1nnc(C)c1CNCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000449084799 535914295 /nfs/dbraw/zinc/91/42/95/535914295.db2.gz YVWAGYOYZKLSPE-GASCZTMLSA-N 1 3 307.486 2.454 20 0 DEADHO CC[C@H]1CC[C@H]1[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000348115271 536100121 /nfs/dbraw/zinc/10/01/21/536100121.db2.gz UQUHQVZZQPOMTB-DOTOQJQBSA-N 1 3 303.450 2.256 20 0 DEADHO COc1cc(C)ccc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000449326049 536647033 /nfs/dbraw/zinc/64/70/33/536647033.db2.gz RWJYNXMSXORIEQ-UHFFFAOYSA-N 1 3 319.493 2.461 20 0 DEADHO CO[C@@H]1CCN(C/C=C/C[N@@H+]2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000451580083 536679583 /nfs/dbraw/zinc/67/95/83/536679583.db2.gz ZKWOVIOIXZFXLL-LSNRLGPVSA-N 1 3 310.482 2.256 20 0 DEADHO CO[C@@H]1CCN(C/C=C/C[N@H+]2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000451580083 536679585 /nfs/dbraw/zinc/67/95/85/536679585.db2.gz ZKWOVIOIXZFXLL-LSNRLGPVSA-N 1 3 310.482 2.256 20 0 DEADHO CO[C@@H]1CC[N@@H+](C/C=C/CN2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000451580083 536679588 /nfs/dbraw/zinc/67/95/88/536679588.db2.gz ZKWOVIOIXZFXLL-LSNRLGPVSA-N 1 3 310.482 2.256 20 0 DEADHO CO[C@@H]1CC[N@H+](C/C=C/CN2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000451580083 536679590 /nfs/dbraw/zinc/67/95/90/536679590.db2.gz ZKWOVIOIXZFXLL-LSNRLGPVSA-N 1 3 310.482 2.256 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1cccc(F)c1)C(C)C)N(C)C ZINC001378997139 1152522899 /nfs/dbraw/zinc/52/28/99/1152522899.db2.gz ILYSDMPRXWUKBF-SJORKVTESA-N 1 3 323.456 2.396 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccc(F)cc1)C(C)C)N(C)C ZINC001379005379 1152527083 /nfs/dbraw/zinc/52/70/83/1152527083.db2.gz ZXKVUFNOCHUGAN-IRXDYDNUSA-N 1 3 323.456 2.396 20 0 DEADHO CC1CCN(CC[C@@H]2CCC[N@@H+]2C[C@]2(O)CCCOC2)CC1 ZINC001414038059 1152544350 /nfs/dbraw/zinc/54/43/50/1152544350.db2.gz UACHAULMBMANAN-ZWKOTPCHSA-N 1 3 310.482 2.114 20 0 DEADHO CC1CCN(CC[C@@H]2CCC[N@H+]2C[C@]2(O)CCCOC2)CC1 ZINC001414038059 1152544352 /nfs/dbraw/zinc/54/43/52/1152544352.db2.gz UACHAULMBMANAN-ZWKOTPCHSA-N 1 3 310.482 2.114 20 0 DEADHO CCC[NH2+][C@@H](C)CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001379211203 1152591080 /nfs/dbraw/zinc/59/10/80/1152591080.db2.gz BSBICRADJXMUAG-BBRMVZONSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC1CC(C)(C)C1)N(C)C ZINC001379278207 1152601156 /nfs/dbraw/zinc/60/11/56/1152601156.db2.gz ASDZFBHGWNOLFM-GOEBONIOSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)CCC1CC1)N(C)C ZINC001368811660 1148680656 /nfs/dbraw/zinc/68/06/56/1148680656.db2.gz DWGAJIVXTUZPID-DLBZAZTESA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CCC1CC1)N(C)C ZINC001368811660 1148680661 /nfs/dbraw/zinc/68/06/61/1148680661.db2.gz DWGAJIVXTUZPID-DLBZAZTESA-N 1 3 309.498 2.296 20 0 DEADHO C[C@H](C[NH2+][C@@H](C)c1cccc(F)c1)NC(=O)CN(C)C1CCC1 ZINC001379382997 1152617395 /nfs/dbraw/zinc/61/73/95/1152617395.db2.gz NBCKOIBQJSLSIM-KGLIPLIRSA-N 1 3 321.440 2.465 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001379505699 1152634407 /nfs/dbraw/zinc/63/44/07/1152634407.db2.gz DVVXRMLFARZGMA-KBPBESRZSA-N 1 3 301.450 2.093 20 0 DEADHO COc1ccc([C@@H](CCO)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000893266836 625342728 /nfs/dbraw/zinc/34/27/28/625342728.db2.gz USGPEGHQOXQUSV-YCXXCVGLSA-N 1 3 304.434 2.334 20 0 DEADHO CC1CC(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000972613421 625354829 /nfs/dbraw/zinc/35/48/29/625354829.db2.gz WBROMFODFZXTLE-DAWZGUTISA-N 1 3 321.509 2.297 20 0 DEADHO CC1CC(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000972613421 625354831 /nfs/dbraw/zinc/35/48/31/625354831.db2.gz WBROMFODFZXTLE-DAWZGUTISA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)CCN1CCC([NH2+]CCNC(=O)c2ccco2)CC1 ZINC000924595383 625436546 /nfs/dbraw/zinc/43/65/46/625436546.db2.gz NFGYADJOFMYQQK-UHFFFAOYSA-N 1 3 307.438 2.110 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000931133378 625557561 /nfs/dbraw/zinc/55/75/61/625557561.db2.gz BNVLEDMCPTXXRZ-KRWDZBQOSA-N 1 3 303.450 2.454 20 0 DEADHO CC(C)=CCN1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000969650641 622865715 /nfs/dbraw/zinc/86/57/15/622865715.db2.gz SSBGIXDCDVNPIP-DOTOQJQBSA-N 1 3 307.482 2.262 20 0 DEADHO CC(C)=CCN1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000969650641 622865719 /nfs/dbraw/zinc/86/57/19/622865719.db2.gz SSBGIXDCDVNPIP-DOTOQJQBSA-N 1 3 307.482 2.262 20 0 DEADHO CC(C)=CCN1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000969650648 622865917 /nfs/dbraw/zinc/86/59/17/622865917.db2.gz SSBGIXDCDVNPIP-WBVHZDCISA-N 1 3 307.482 2.262 20 0 DEADHO CC(C)=CCN1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000969650648 622865922 /nfs/dbraw/zinc/86/59/22/622865922.db2.gz SSBGIXDCDVNPIP-WBVHZDCISA-N 1 3 307.482 2.262 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1CN(CC=C(C)C)C1 ZINC000969792801 622922849 /nfs/dbraw/zinc/92/28/49/622922849.db2.gz LPEXLEMFBDAHNE-DOTOQJQBSA-N 1 3 307.482 2.264 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1CN(CC=C(C)C)C1 ZINC000969792801 622922851 /nfs/dbraw/zinc/92/28/51/622922851.db2.gz LPEXLEMFBDAHNE-DOTOQJQBSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCc2cccs2)C1)N(C)C ZINC000969845291 622947122 /nfs/dbraw/zinc/94/71/22/622947122.db2.gz YNMSNJKOJQBMIG-GDBMZVCRSA-N 1 3 323.506 2.067 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000970102949 623121345 /nfs/dbraw/zinc/12/13/45/623121345.db2.gz IENDRQDTHUXIEQ-LSDHHAIUSA-N 1 3 312.417 2.212 20 0 DEADHO CN1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccsc2)CC1(C)C ZINC000972859395 625634708 /nfs/dbraw/zinc/63/47/08/625634708.db2.gz IBNAGRORAASUFW-LSDHHAIUSA-N 1 3 321.490 2.169 20 0 DEADHO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccsc2)CC1(C)C ZINC000972859395 625634712 /nfs/dbraw/zinc/63/47/12/625634712.db2.gz IBNAGRORAASUFW-LSDHHAIUSA-N 1 3 321.490 2.169 20 0 DEADHO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccsc2)CC1(C)C ZINC000972859395 625634715 /nfs/dbraw/zinc/63/47/15/625634715.db2.gz IBNAGRORAASUFW-LSDHHAIUSA-N 1 3 321.490 2.169 20 0 DEADHO CC[NH2+]C[C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001024156102 625641497 /nfs/dbraw/zinc/64/14/97/625641497.db2.gz IDDNZGRTCVRUPH-YOEHRIQHSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H](N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)c1ccccc1F ZINC001021045246 623309820 /nfs/dbraw/zinc/30/98/20/623309820.db2.gz YMKMRZOCQRXOEA-LXTVHRRPSA-N 1 3 319.424 2.075 20 0 DEADHO C[C@@H](N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)c1ccccc1F ZINC001021045246 623309828 /nfs/dbraw/zinc/30/98/28/623309828.db2.gz YMKMRZOCQRXOEA-LXTVHRRPSA-N 1 3 319.424 2.075 20 0 DEADHO CC(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC000970530225 623523581 /nfs/dbraw/zinc/52/35/81/623523581.db2.gz WXDAIGNMDREKCO-WBVHZDCISA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCC2)C1 ZINC000970529568 623523733 /nfs/dbraw/zinc/52/37/33/623523733.db2.gz PWZOJRIUDUKDIP-QAPCUYQASA-N 1 3 321.509 2.486 20 0 DEADHO C[C@@H]1C[C@@H](Nc2ccncc2CO)CC[N@@H+]1Cc1ccccc1 ZINC000892845217 625660593 /nfs/dbraw/zinc/66/05/93/625660593.db2.gz AZGFIGAUVOTIQV-QAPCUYQASA-N 1 3 311.429 2.461 20 0 DEADHO C[C@@H]1C[C@@H](Nc2ccncc2CO)CC[N@H+]1Cc1ccccc1 ZINC000892845217 625660596 /nfs/dbraw/zinc/66/05/96/625660596.db2.gz AZGFIGAUVOTIQV-QAPCUYQASA-N 1 3 311.429 2.461 20 0 DEADHO C[C@H]1CCCN1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001021380616 623577641 /nfs/dbraw/zinc/57/76/41/623577641.db2.gz NEQNETPMHYKRCB-MIGBEJBISA-N 1 3 319.493 2.382 20 0 DEADHO C[C@H]1CCCN1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001021380616 623577644 /nfs/dbraw/zinc/57/76/44/623577644.db2.gz NEQNETPMHYKRCB-MIGBEJBISA-N 1 3 319.493 2.382 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C ZINC001021447425 623634276 /nfs/dbraw/zinc/63/42/76/623634276.db2.gz LLENGHDCVLLMQM-GOOCMWNKSA-N 1 3 304.438 2.028 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C ZINC001021447425 623634278 /nfs/dbraw/zinc/63/42/78/623634278.db2.gz LLENGHDCVLLMQM-GOOCMWNKSA-N 1 3 304.438 2.028 20 0 DEADHO CC[NH+](CC)CCN(CCOC)c1cc(N)ncc1Cl ZINC000892852757 625665080 /nfs/dbraw/zinc/66/50/80/625665080.db2.gz FXEORKLHWGGUAL-UHFFFAOYSA-N 1 3 300.834 2.112 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)C1CCCN(C2CC2)C1=O ZINC000924050660 624115692 /nfs/dbraw/zinc/11/56/92/624115692.db2.gz IDICUMUPLWUJPU-HOTGVXAUSA-N 1 3 322.449 2.194 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H]1COC(=O)C1CCCN(C2CC2)C1=O ZINC000924050660 624115693 /nfs/dbraw/zinc/11/56/93/624115693.db2.gz IDICUMUPLWUJPU-HOTGVXAUSA-N 1 3 322.449 2.194 20 0 DEADHO C[C@@H]1C[C@H](NCCN(C(=O)OC(C)(C)C)C2CC2)CC[N@@H+]1C ZINC000160912312 624153320 /nfs/dbraw/zinc/15/33/20/624153320.db2.gz LNKKHWLLJCAXIU-ZIAGYGMSSA-N 1 3 311.470 2.458 20 0 DEADHO C[C@@H]1C[C@H](NCCN(C(=O)OC(C)(C)C)C2CC2)CC[N@H+]1C ZINC000160912312 624153322 /nfs/dbraw/zinc/15/33/22/624153322.db2.gz LNKKHWLLJCAXIU-ZIAGYGMSSA-N 1 3 311.470 2.458 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892458100 625709750 /nfs/dbraw/zinc/70/97/50/625709750.db2.gz UWYPFFXFIJBFNU-UHFFFAOYSA-N 1 3 322.497 2.260 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC2CC(C)(C)C2)C1)C1CC1 ZINC000971686608 624506622 /nfs/dbraw/zinc/50/66/22/624506622.db2.gz UHCPOSLHJBHAAX-SJORKVTESA-N 1 3 321.509 2.296 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C1)C1CC1 ZINC000971686608 624506624 /nfs/dbraw/zinc/50/66/24/624506624.db2.gz UHCPOSLHJBHAAX-SJORKVTESA-N 1 3 321.509 2.296 20 0 DEADHO CCC1([NH3+])CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000891865635 624633887 /nfs/dbraw/zinc/63/38/87/624633887.db2.gz RSVMDRBKLBCFCZ-AWEZNQCLSA-N 1 3 310.486 2.020 20 0 DEADHO C[C@@H](NC(=O)N1CCCC[C@H]1C[NH3+])[C@H](c1ccccc1)N(C)C ZINC000891895016 624649749 /nfs/dbraw/zinc/64/97/49/624649749.db2.gz ZTNSKYZRGFZCCM-HYVNUMGLSA-N 1 3 318.465 2.201 20 0 DEADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cnn(C)c2C2CC2)C1 ZINC000892145802 624795710 /nfs/dbraw/zinc/79/57/10/624795710.db2.gz URCMMPMJSSPCNY-QGZVFWFLSA-N 1 3 320.481 2.230 20 0 DEADHO Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@@H]3C)C2)cs1 ZINC001022712132 624864303 /nfs/dbraw/zinc/86/43/03/624864303.db2.gz JQWRYTOYXANAFQ-VBNZEHGJSA-N 1 3 321.490 2.278 20 0 DEADHO CC(C)N1CCN(CCC[NH2+][C@@H]2CCOC23CCCC3)CC1 ZINC000934384376 624869886 /nfs/dbraw/zinc/86/98/86/624869886.db2.gz CXCQWMRQDZXSIO-QGZVFWFLSA-N 1 3 309.498 2.094 20 0 DEADHO C[N@H+](CC1CCC1)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972339074 624934312 /nfs/dbraw/zinc/93/43/12/624934312.db2.gz KMUWGGYWZPGOLP-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO C[N@@H+](CC1CCC1)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972339074 624934316 /nfs/dbraw/zinc/93/43/16/624934316.db2.gz KMUWGGYWZPGOLP-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO C[N@H+](CC1CCC1)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972339073 624934435 /nfs/dbraw/zinc/93/44/35/624934435.db2.gz KMUWGGYWZPGOLP-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO C[N@@H+](CC1CCC1)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972339073 624934437 /nfs/dbraw/zinc/93/44/37/624934437.db2.gz KMUWGGYWZPGOLP-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CN(C)[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1)C1CC1 ZINC001024986672 625127819 /nfs/dbraw/zinc/12/78/19/625127819.db2.gz ZOQIZAZYFDIOKY-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001023130758 625164935 /nfs/dbraw/zinc/16/49/35/625164935.db2.gz GKKAWMDPXGJMGW-FGTMMUONSA-N 1 3 315.461 2.298 20 0 DEADHO CC(C)[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CCC1)N(C)C ZINC001025073611 625194123 /nfs/dbraw/zinc/19/41/23/625194123.db2.gz NNCYUGUTHAUGQX-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO F[C@H]1CC2(CC[C@H]1[NH2+]C1CCN(CC3CC3)CC1)OCCO2 ZINC000892624878 625201882 /nfs/dbraw/zinc/20/18/82/625201882.db2.gz YJFNFZDZQVTASI-JKSUJKDBSA-N 1 3 312.429 2.084 20 0 DEADHO CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001023364558 625239348 /nfs/dbraw/zinc/23/93/48/625239348.db2.gz LJMPTTPBISWHJT-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001023364558 625239351 /nfs/dbraw/zinc/23/93/51/625239351.db2.gz LJMPTTPBISWHJT-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC1 ZINC001025168841 625242348 /nfs/dbraw/zinc/24/23/48/625242348.db2.gz ZAENHKNRGXVQKN-IAGOWNOFSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCCF ZINC001024436281 625762514 /nfs/dbraw/zinc/76/25/14/625762514.db2.gz BBXSBNOHXKXHQU-HOTGVXAUSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCCF ZINC001024436281 625762518 /nfs/dbraw/zinc/76/25/18/625762518.db2.gz BBXSBNOHXKXHQU-HOTGVXAUSA-N 1 3 313.461 2.190 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)cc1C ZINC001019774991 625831585 /nfs/dbraw/zinc/83/15/85/625831585.db2.gz QUQMKYOXKVJBFS-SFHVURJKSA-N 1 3 315.461 2.090 20 0 DEADHO CN(C)[C@H](CNC1[C@@H]2CC[C@H]1C[N@@H+](C)C2)c1cccc(F)c1 ZINC000924533595 625832983 /nfs/dbraw/zinc/83/29/83/625832983.db2.gz YWIVIAXRJYMAHV-FZBAJKBMSA-N 1 3 305.441 2.358 20 0 DEADHO CN(C)[C@H](CNC1[C@@H]2CC[C@H]1C[N@H+](C)C2)c1cccc(F)c1 ZINC000924533595 625832990 /nfs/dbraw/zinc/83/29/90/625832990.db2.gz YWIVIAXRJYMAHV-FZBAJKBMSA-N 1 3 305.441 2.358 20 0 DEADHO CN(CC(=O)N1CCC[C@H]([NH2+]Cc2ccsc2)C1)C1CCC1 ZINC000999379108 634573866 /nfs/dbraw/zinc/57/38/66/634573866.db2.gz PPTKQFBOCUKWBB-HNNXBMFYSA-N 1 3 321.490 2.313 20 0 DEADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]CCC2=CCCCC2)C1 ZINC000999475298 634603529 /nfs/dbraw/zinc/60/35/29/634603529.db2.gz VMSAGKWKULSREU-UHFFFAOYSA-N 1 3 316.449 2.422 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2csc(C)c2)C1)N(C)C ZINC000999481163 634607444 /nfs/dbraw/zinc/60/74/44/634607444.db2.gz CGWACHBLSSHSTH-JKSUJKDBSA-N 1 3 323.506 2.477 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC000999481083 634607549 /nfs/dbraw/zinc/60/75/49/634607549.db2.gz AEYZNYFCTREDHY-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCc2ccccc2)C1)N(C)C ZINC000999490066 634619512 /nfs/dbraw/zinc/61/95/12/634619512.db2.gz OCYHAODWDTXXNL-ZWKOTPCHSA-N 1 3 317.477 2.150 20 0 DEADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]CC2CC3(CCC3)C2)C1 ZINC000999833675 634692105 /nfs/dbraw/zinc/69/21/05/634692105.db2.gz OXZBBADUTFPNKN-UHFFFAOYSA-N 1 3 319.493 2.242 20 0 DEADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]([NH2+]CC3CCC3)C2)C1 ZINC001000198933 634786931 /nfs/dbraw/zinc/78/69/31/634786931.db2.gz MCDYEPAUDNOXSD-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO CCC[NH2+][C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001000210086 634794248 /nfs/dbraw/zinc/79/42/48/634794248.db2.gz QNLPVYLTOOPNLB-PBHICJAKSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC2CCCC2)C1)N(C)C ZINC001026901130 633248917 /nfs/dbraw/zinc/24/89/17/633248917.db2.gz JCMJYBXXEFQYDO-IRXDYDNUSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H](C(=O)N1C[C@H]([NH2+]CC2CC2)C(C)(C)C1)N1CCCCCC1 ZINC000996381353 633251118 /nfs/dbraw/zinc/25/11/18/633251118.db2.gz UVMZIUQQNKIEIV-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[NH2+][C@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)CC1(C)C ZINC000996381755 633251137 /nfs/dbraw/zinc/25/11/37/633251137.db2.gz YHWBMKFHNQDQLF-CVEARBPZSA-N 1 3 309.498 2.484 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001026916216 633262238 /nfs/dbraw/zinc/26/22/38/633262238.db2.gz DPVGNYMXYIQSGS-GOEBONIOSA-N 1 3 309.498 2.201 20 0 DEADHO CN(C)C1(C(=O)N2CCC([NH2+]Cc3ccsc3)CC2)CCC1 ZINC000996667789 633339516 /nfs/dbraw/zinc/33/95/16/633339516.db2.gz YKFCAPKITNAUTQ-UHFFFAOYSA-N 1 3 321.490 2.313 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]CC3=CCCCC3)C2)C1 ZINC001027065052 633386005 /nfs/dbraw/zinc/38/60/05/633386005.db2.gz PPSZETPFFLSHLE-WMZOPIPTSA-N 1 3 319.493 2.267 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]CC3=CCCCC3)C2)C1 ZINC001027065051 633386262 /nfs/dbraw/zinc/38/62/62/633386262.db2.gz PPSZETPFFLSHLE-SJLPKXTDSA-N 1 3 319.493 2.267 20 0 DEADHO CC(C)[NH2+]C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001027233996 633505960 /nfs/dbraw/zinc/50/59/60/633505960.db2.gz NSSPRUADFWDFOI-INIZCTEOSA-N 1 3 303.450 2.208 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC([NH2+]CC2CCCC2)CC1)N(C)C ZINC000996967000 633543076 /nfs/dbraw/zinc/54/30/76/633543076.db2.gz ZFWRVANATHBOSS-QGZVFWFLSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]CC3CCCCC3)CC2)C1 ZINC000997008803 633561073 /nfs/dbraw/zinc/56/10/73/633561073.db2.gz XFEYZJLFBOZTTR-MRXNPFEDSA-N 1 3 321.509 2.489 20 0 DEADHO CC1CCN(CC(=O)N2CCC([NH2+]CCC3CC3)CC2)CC1 ZINC000997116378 633596176 /nfs/dbraw/zinc/59/61/76/633596176.db2.gz XUJQIGFYHBGOAC-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO CN(C(=O)NC1CC[NH+](C2CCCC2)CC1)[C@H]1CCCN(C)C1 ZINC000893436546 633637377 /nfs/dbraw/zinc/63/73/77/633637377.db2.gz KFKQCJRCNASUSQ-KRWDZBQOSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2CC2)C1 ZINC001027409806 633747565 /nfs/dbraw/zinc/74/75/65/633747565.db2.gz NYINXGDZLRAUIB-IRXDYDNUSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2CC2)C1 ZINC001027409806 633747566 /nfs/dbraw/zinc/74/75/66/633747566.db2.gz NYINXGDZLRAUIB-IRXDYDNUSA-N 1 3 307.482 2.192 20 0 DEADHO CC1CC(C[N@H+](C)[C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001027440988 633790466 /nfs/dbraw/zinc/79/04/66/633790466.db2.gz OUTWBSZUHGQSLF-OFLPRAFFSA-N 1 3 321.509 2.440 20 0 DEADHO CC1CC(C[N@@H+](C)[C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001027440988 633790470 /nfs/dbraw/zinc/79/04/70/633790470.db2.gz OUTWBSZUHGQSLF-OFLPRAFFSA-N 1 3 321.509 2.440 20 0 DEADHO Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCN3C)C2)cs1 ZINC000998553040 634324940 /nfs/dbraw/zinc/32/49/40/634324940.db2.gz UZTGVUJRKIERSK-UYSNPLJNSA-N 1 3 321.490 2.230 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC1CC1 ZINC001027879813 634852758 /nfs/dbraw/zinc/85/27/58/634852758.db2.gz YNQRCHMRPVSDTI-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1CC1 ZINC001027879813 634852763 /nfs/dbraw/zinc/85/27/63/634852763.db2.gz YNQRCHMRPVSDTI-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO C[N@H+](CC1CC2(CCC2)C1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980404465 634988776 /nfs/dbraw/zinc/98/87/76/634988776.db2.gz BEQZCMGTKWYZSI-QGZVFWFLSA-N 1 3 319.493 2.195 20 0 DEADHO C[N@@H+](CC1CC2(CCC2)C1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980404465 634988778 /nfs/dbraw/zinc/98/87/78/634988778.db2.gz BEQZCMGTKWYZSI-QGZVFWFLSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc2c(c1)CCC(=O)N2 ZINC000925781275 635142954 /nfs/dbraw/zinc/14/29/54/635142954.db2.gz XUXBSIGPKGTYJA-RISCZKNCSA-N 1 3 323.387 2.467 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCC2=CCN(CC=C(C)C)CC2)CC[N@@H+]1C ZINC001000697657 635268684 /nfs/dbraw/zinc/26/86/84/635268684.db2.gz ZCOYPAZFNQMQQR-ZWKOTPCHSA-N 1 3 319.493 2.431 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCC2=CCN(CC=C(C)C)CC2)CC[N@H+]1C ZINC001000697657 635268690 /nfs/dbraw/zinc/26/86/90/635268690.db2.gz ZCOYPAZFNQMQQR-ZWKOTPCHSA-N 1 3 319.493 2.431 20 0 DEADHO C[NH+](C)C1CCN(CCNCc2nccc3c2CCCC3)CC1 ZINC000921814906 635390567 /nfs/dbraw/zinc/39/05/67/635390567.db2.gz DKYUTBCZEOICOP-UHFFFAOYSA-N 1 3 316.493 2.076 20 0 DEADHO CC(C)=CCN1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000981369399 635456340 /nfs/dbraw/zinc/45/63/40/635456340.db2.gz KLKFYDCCCPDAJN-QGZVFWFLSA-N 1 3 307.482 2.361 20 0 DEADHO CC(C)=CCN1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000981369399 635456345 /nfs/dbraw/zinc/45/63/45/635456345.db2.gz KLKFYDCCCPDAJN-QGZVFWFLSA-N 1 3 307.482 2.361 20 0 DEADHO CCCC[NH+]1CCC(CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001001394616 635476795 /nfs/dbraw/zinc/47/67/95/635476795.db2.gz ZGNAWGNJNJLHJL-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCN2C(C)C)c(F)c1 ZINC001001525264 635522394 /nfs/dbraw/zinc/52/23/94/635522394.db2.gz WATWTUFAXFKUGR-KRWDZBQOSA-N 1 3 321.440 2.424 20 0 DEADHO CC(C)(C(=O)N1CCC[N@H+](CCC2CC2)CC1)N1CCCC1 ZINC000981741044 635622679 /nfs/dbraw/zinc/62/26/79/635622679.db2.gz NUYSRCJOYINWNC-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)(C(=O)N1CCC[N@@H+](CCC2CC2)CC1)N1CCCC1 ZINC000981741044 635622683 /nfs/dbraw/zinc/62/26/83/635622683.db2.gz NUYSRCJOYINWNC-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001016328558 635783179 /nfs/dbraw/zinc/78/31/79/635783179.db2.gz DVPYKJHYBIOANZ-KRWDZBQOSA-N 1 3 315.461 2.352 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001016328558 635783187 /nfs/dbraw/zinc/78/31/87/635783187.db2.gz DVPYKJHYBIOANZ-KRWDZBQOSA-N 1 3 315.461 2.352 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@H+](CCC1CC1)C2 ZINC000982011803 635811411 /nfs/dbraw/zinc/81/14/11/635811411.db2.gz JPBDKXTWWOQLRV-INIZCTEOSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@@H+](CCC1CC1)C2 ZINC000982011803 635811414 /nfs/dbraw/zinc/81/14/14/635811414.db2.gz JPBDKXTWWOQLRV-INIZCTEOSA-N 1 3 319.493 2.195 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@H+](CC1CC(C)C1)C2)N(C)C ZINC000982019494 635814844 /nfs/dbraw/zinc/81/48/44/635814844.db2.gz XPQVEXJBQATJBR-JCYILVPMSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](CC1CC(C)C1)C2)N(C)C ZINC000982019494 635814850 /nfs/dbraw/zinc/81/48/50/635814850.db2.gz XPQVEXJBQATJBR-JCYILVPMSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C1(C[NH3+])CCCC1 ZINC000261532286 635879858 /nfs/dbraw/zinc/87/98/58/635879858.db2.gz ABWIDDVFTCHNRK-OAHLLOKOSA-N 1 3 303.450 2.142 20 0 DEADHO CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC000982277421 635940028 /nfs/dbraw/zinc/94/00/28/635940028.db2.gz HJAGQQKQFPXJDF-QRQLOZEOSA-N 1 3 321.509 2.440 20 0 DEADHO CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC000982277421 635940029 /nfs/dbraw/zinc/94/00/29/635940029.db2.gz HJAGQQKQFPXJDF-QRQLOZEOSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(F)cc(F)c1 ZINC000925850858 635950190 /nfs/dbraw/zinc/95/01/90/635950190.db2.gz CKNJENONKGQJKQ-IAQYHMDHSA-N 1 3 324.371 2.301 20 0 DEADHO C[NH+](C)CC1CCN(C[C@@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000929283637 636015325 /nfs/dbraw/zinc/01/53/25/636015325.db2.gz VDXZIJROZMPUHZ-LLVKDONJSA-N 1 3 318.330 2.209 20 0 DEADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1nccc2c1CCCC2 ZINC000922241774 636026870 /nfs/dbraw/zinc/02/68/70/636026870.db2.gz JIIDEYMFVUGDCG-INIZCTEOSA-N 1 3 318.509 2.322 20 0 DEADHO Cc1cnc(Cl)c(CN[C@@H](C)CN(C)CCC[NH+](C)C)c1 ZINC000922244665 636029914 /nfs/dbraw/zinc/02/99/14/636029914.db2.gz XMOFTJMLJBTZTD-AWEZNQCLSA-N 1 3 312.889 2.405 20 0 DEADHO COC(=O)[C@@H]1[C@H](CN2CCC(C[N@H+](C)C(C)C)CC2)C1(F)F ZINC000893966755 636077642 /nfs/dbraw/zinc/07/76/42/636077642.db2.gz DWJAIWFQTFIFQD-KBPBESRZSA-N 1 3 318.408 2.093 20 0 DEADHO COC(=O)[C@@H]1[C@H](CN2CCC(C[N@@H+](C)C(C)C)CC2)C1(F)F ZINC000893966755 636077647 /nfs/dbraw/zinc/07/76/47/636077647.db2.gz DWJAIWFQTFIFQD-KBPBESRZSA-N 1 3 318.408 2.093 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CCC[N@@H+]2CCCF)c1 ZINC001028334385 636135380 /nfs/dbraw/zinc/13/53/80/636135380.db2.gz XSACTDYKDDMSMB-QGZVFWFLSA-N 1 3 321.440 2.302 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CCC[N@H+]2CCCF)c1 ZINC001028334385 636135383 /nfs/dbraw/zinc/13/53/83/636135383.db2.gz XSACTDYKDDMSMB-QGZVFWFLSA-N 1 3 321.440 2.302 20 0 DEADHO CCc1ccc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)o1 ZINC000922388599 636141925 /nfs/dbraw/zinc/14/19/25/636141925.db2.gz RKBHPYXCWXVVMV-BDXSIMOUSA-N 1 3 306.450 2.411 20 0 DEADHO CCc1ccc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)o1 ZINC000922388599 636141928 /nfs/dbraw/zinc/14/19/28/636141928.db2.gz RKBHPYXCWXVVMV-BDXSIMOUSA-N 1 3 306.450 2.411 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1C)c1ccco1 ZINC000922424140 636166372 /nfs/dbraw/zinc/16/63/72/636166372.db2.gz LKJVGCHQKSHRDR-ZQDZILKHSA-N 1 3 322.453 2.101 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C)c1ccco1 ZINC000922424140 636166374 /nfs/dbraw/zinc/16/63/74/636166374.db2.gz LKJVGCHQKSHRDR-ZQDZILKHSA-N 1 3 322.453 2.101 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN(C/C=C/Cl)C1 ZINC001028537560 636329531 /nfs/dbraw/zinc/32/95/31/636329531.db2.gz NIYYMLVSXZXESE-SJPZSHDVSA-N 1 3 313.873 2.050 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN(C/C=C/Cl)C1 ZINC001028537560 636329535 /nfs/dbraw/zinc/32/95/35/636329535.db2.gz NIYYMLVSXZXESE-SJPZSHDVSA-N 1 3 313.873 2.050 20 0 DEADHO CN(C)C1(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CCC1 ZINC000158698271 636368910 /nfs/dbraw/zinc/36/89/10/636368910.db2.gz MEGCUGWEERKINV-UHFFFAOYSA-N 1 3 315.461 2.035 20 0 DEADHO CN(C)C1(C(=O)NCCC[N@H+]2CCc3ccccc3C2)CCC1 ZINC000158698271 636368916 /nfs/dbraw/zinc/36/89/16/636368916.db2.gz MEGCUGWEERKINV-UHFFFAOYSA-N 1 3 315.461 2.035 20 0 DEADHO CCO[C@H](C[NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1)CN(C)C ZINC000922757024 636379590 /nfs/dbraw/zinc/37/95/90/636379590.db2.gz AHXCGKLUEKVNJH-NZSAHSFTSA-N 1 3 319.493 2.206 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CC2)CC1 ZINC001004371166 636399233 /nfs/dbraw/zinc/39/92/33/636399233.db2.gz JZPPFVVWMCCMHW-QZTJIDSGSA-N 1 3 319.493 2.194 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC2CC2)CC1 ZINC001004371166 636399237 /nfs/dbraw/zinc/39/92/37/636399237.db2.gz JZPPFVVWMCCMHW-QZTJIDSGSA-N 1 3 319.493 2.194 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CC2)CC1 ZINC001004371164 636399262 /nfs/dbraw/zinc/39/92/62/636399262.db2.gz JZPPFVVWMCCMHW-MSOLQXFVSA-N 1 3 319.493 2.194 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC2CC2)CC1 ZINC001004371164 636399268 /nfs/dbraw/zinc/39/92/68/636399268.db2.gz JZPPFVVWMCCMHW-MSOLQXFVSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946633109 636499270 /nfs/dbraw/zinc/49/92/70/636499270.db2.gz IQBFGDZZRZVDOM-KSZLIROESA-N 1 3 323.525 2.399 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946633109 636499272 /nfs/dbraw/zinc/49/92/72/636499272.db2.gz IQBFGDZZRZVDOM-KSZLIROESA-N 1 3 323.525 2.399 20 0 DEADHO COC1(OC)CC[C@@H]1NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000924940652 636607612 /nfs/dbraw/zinc/60/76/12/636607612.db2.gz NXAUVAYFRRWACA-KRWDZBQOSA-N 1 3 322.449 2.258 20 0 DEADHO C[C@H]([NH2+]CC1CC1)[C@@H]1CCCCN1C(=O)CN1CCC(C)(C)C1 ZINC001004936648 636617244 /nfs/dbraw/zinc/61/72/44/636617244.db2.gz HAXBSKRMWBQBEJ-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO CCN1CCN(CCC[NH2+]Cc2cccc3c2NCCC3)CC1 ZINC000894385866 636976674 /nfs/dbraw/zinc/97/66/74/636976674.db2.gz WGKOZGLTBFPQCE-UHFFFAOYSA-N 1 3 316.493 2.162 20 0 DEADHO CCOc1ccc(CN(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000894459454 637050871 /nfs/dbraw/zinc/05/08/71/637050871.db2.gz IVWWLHQNXSUKEW-MRXNPFEDSA-N 1 3 321.465 2.279 20 0 DEADHO [NH3+]C[C@H]1CCCN(C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000923282402 637083584 /nfs/dbraw/zinc/08/35/84/637083584.db2.gz VJHXFNAYJPVMNV-HIFRSBDPSA-N 1 3 316.367 2.280 20 0 DEADHO C[C@H](CN)[N@H+](C)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000923290625 637092985 /nfs/dbraw/zinc/09/29/85/637092985.db2.gz MOZRSJABRZEPSE-HUUCEWRRSA-N 1 3 311.429 2.434 20 0 DEADHO C[C@H](CN)[N@@H+](C)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000923290625 637092990 /nfs/dbraw/zinc/09/29/90/637092990.db2.gz MOZRSJABRZEPSE-HUUCEWRRSA-N 1 3 311.429 2.434 20 0 DEADHO c1ccc([C@@H]2CSCCN2C[C@@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923300181 637093877 /nfs/dbraw/zinc/09/38/77/637093877.db2.gz DABDXWSLYWSKKV-HOTGVXAUSA-N 1 3 304.459 2.155 20 0 DEADHO CC(C)[C@](C)(C[NH3+])NC[C@@H](O)COc1ccccc1Cl ZINC000923295648 637096799 /nfs/dbraw/zinc/09/67/99/637096799.db2.gz CWUXEOFUYYTTHF-DOMZBBRYSA-N 1 3 300.830 2.043 20 0 DEADHO CCCN(C[C@@H](O)COc1cccc(C)c1)C1CC[NH2+]CC1 ZINC000923328567 637112297 /nfs/dbraw/zinc/11/22/97/637112297.db2.gz WHBYDHUAYFTALR-QGZVFWFLSA-N 1 3 306.450 2.199 20 0 DEADHO CCC[N@H+](C[C@@H](O)COc1cccc(C)c1)C1CCNCC1 ZINC000923328567 637112298 /nfs/dbraw/zinc/11/22/98/637112298.db2.gz WHBYDHUAYFTALR-QGZVFWFLSA-N 1 3 306.450 2.199 20 0 DEADHO CCC[N@@H+](C[C@@H](O)COc1cccc(C)c1)C1CCNCC1 ZINC000923328567 637112300 /nfs/dbraw/zinc/11/23/00/637112300.db2.gz WHBYDHUAYFTALR-QGZVFWFLSA-N 1 3 306.450 2.199 20 0 DEADHO Cc1ccc(Cl)c(OC[C@H](O)CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000923330963 637113616 /nfs/dbraw/zinc/11/36/16/637113616.db2.gz DVUPOOCUEAGWIC-DSJMHWKBSA-N 1 3 324.852 2.057 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]2CN(C[C@H](O)COc3ccc(Cl)cc3)C[C@@H]21 ZINC000923333411 637120134 /nfs/dbraw/zinc/12/01/34/637120134.db2.gz QTEYASXJRLEHDC-NQZOLGFYSA-N 1 3 324.852 2.139 20 0 DEADHO C[C@]1(C[NH3+])CCN(C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000923355092 637134978 /nfs/dbraw/zinc/13/49/78/637134978.db2.gz GRFXCQOWOMTQNJ-LSDHHAIUSA-N 1 3 316.367 2.280 20 0 DEADHO C[C@@H]1CCN[C@H](C)[C@H]1[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC000923369550 637140723 /nfs/dbraw/zinc/14/07/23/637140723.db2.gz KPEIWLQRFCCQMB-IDMWTJEOSA-N 1 3 300.805 2.489 20 0 DEADHO CCc1onc(C)c1CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000923380080 637147727 /nfs/dbraw/zinc/14/77/27/637147727.db2.gz UXSBPUZRVJXATO-PBHICJAKSA-N 1 3 307.438 2.264 20 0 DEADHO Fc1ccccc1CN(CC1CC1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923386862 637155288 /nfs/dbraw/zinc/15/52/88/637155288.db2.gz BNJQJZRVWCZUIL-INIZCTEOSA-N 1 3 304.409 2.416 20 0 DEADHO C[C@H](C(=O)NCc1ccccc1Cl)N1CC[C@@H](CC[NH3+])C1 ZINC000923488697 637208918 /nfs/dbraw/zinc/20/89/18/637208918.db2.gz UCUNIZFRQQOHCA-CHWSQXEVSA-N 1 3 309.841 2.015 20 0 DEADHO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[C@@H](CC[NH3+])C1 ZINC000923493021 637210359 /nfs/dbraw/zinc/21/03/59/637210359.db2.gz RVMPOOKFXODJNL-HQLMBJAVSA-N 1 3 319.493 2.131 20 0 DEADHO C[C@@H]1CN(CC(=O)NCCCC2CCCCC2)CC[C@@H]1C[NH3+] ZINC000923498943 637216400 /nfs/dbraw/zinc/21/64/00/637216400.db2.gz RCRMUVVJKOREKQ-NVXWUHKLSA-N 1 3 309.498 2.380 20 0 DEADHO C[C@@H]1CN([C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC[C@@H]1C[NH3+] ZINC000923501044 637217587 /nfs/dbraw/zinc/21/75/87/637217587.db2.gz YUSDUVIMHULOQY-XJKCOSOUSA-N 1 3 321.852 2.362 20 0 DEADHO CC(C)N(Cc1ccccc1)C(=O)CN1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923503506 637224297 /nfs/dbraw/zinc/22/42/97/637224297.db2.gz JKQAHMNSGQSQGT-SJLPKXTDSA-N 1 3 317.477 2.340 20 0 DEADHO C[C@H]([NH2+]CC1CCC1)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001029107368 637238944 /nfs/dbraw/zinc/23/89/44/637238944.db2.gz LZAUCHHNVUEPMZ-KBXCAEBGSA-N 1 3 321.509 2.343 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(C)C)C1 ZINC001029436913 638003628 /nfs/dbraw/zinc/00/36/28/638003628.db2.gz MTANABNPNNFIDT-ZACQAIPSSA-N 1 3 307.482 2.192 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(C)C)C1 ZINC001029436913 638003630 /nfs/dbraw/zinc/00/36/30/638003630.db2.gz MTANABNPNNFIDT-ZACQAIPSSA-N 1 3 307.482 2.192 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)NC[C@@H]2CCN2C(C)(C)C)C1 ZINC000895627906 638120772 /nfs/dbraw/zinc/12/07/72/638120772.db2.gz STBKVJGPNKXOOG-HOTGVXAUSA-N 1 3 324.513 2.233 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@@H]2CCN[C@@H](C)C2)C1 ZINC000841061837 650418627 /nfs/dbraw/zinc/41/86/27/650418627.db2.gz NOJFTCCKESMZDL-QNWHQSFQSA-N 1 3 304.381 2.084 20 0 DEADHO CN(C)c1ccc(N2CCC([NH2+][C@H]3CCCCNC3)CC2)cc1 ZINC000841091123 650428871 /nfs/dbraw/zinc/42/88/71/650428871.db2.gz UOALFYKSDSZYGL-KRWDZBQOSA-N 1 3 316.493 2.453 20 0 DEADHO CN(C)c1ccc(N2CCC(N[C@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000841091123 650428872 /nfs/dbraw/zinc/42/88/72/650428872.db2.gz UOALFYKSDSZYGL-KRWDZBQOSA-N 1 3 316.493 2.453 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H](N[C@@H]2CCCC[NH2+]C2)C1 ZINC000841091378 650428931 /nfs/dbraw/zinc/42/89/31/650428931.db2.gz WNDGUPKIRSVOQH-JHJVBQTASA-N 1 3 304.381 2.085 20 0 DEADHO CC(C)[NH+]1CCC(N2CCN(CCCCCCO)CC2)CC1 ZINC000749461352 638652065 /nfs/dbraw/zinc/65/20/65/638652065.db2.gz VZTJFPBWDDKGCO-UHFFFAOYSA-N 1 3 311.514 2.030 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H](N)CC3CCCCC3)CC[C@@H]21 ZINC000262483173 639280544 /nfs/dbraw/zinc/28/05/44/639280544.db2.gz KCWJLVRMKOSTEW-IKGGRYGDSA-N 1 3 307.482 2.227 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H](N)CC3CCCCC3)CC[C@@H]21 ZINC000262483173 639280548 /nfs/dbraw/zinc/28/05/48/639280548.db2.gz KCWJLVRMKOSTEW-IKGGRYGDSA-N 1 3 307.482 2.227 20 0 DEADHO CC1CC(C[N@H+](C)C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC000985467224 639450928 /nfs/dbraw/zinc/45/09/28/639450928.db2.gz JKTYIWQYFZQTOF-JMLCCBQJSA-N 1 3 321.509 2.296 20 0 DEADHO CC1CC(C[N@@H+](C)C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC000985467224 639450931 /nfs/dbraw/zinc/45/09/31/639450931.db2.gz JKTYIWQYFZQTOF-JMLCCBQJSA-N 1 3 321.509 2.296 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(N(C)CCF)CC1 ZINC000985686472 639582667 /nfs/dbraw/zinc/58/26/67/639582667.db2.gz MDBQHAQROJYMMW-MRXNPFEDSA-N 1 3 313.461 2.142 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC(N(C)CCF)CC1 ZINC000985686472 639582683 /nfs/dbraw/zinc/58/26/83/639582683.db2.gz MDBQHAQROJYMMW-MRXNPFEDSA-N 1 3 313.461 2.142 20 0 DEADHO C[N@@H+](Cc1ccccc1)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029905489 639756903 /nfs/dbraw/zinc/75/69/03/639756903.db2.gz OEEGNZYOZUUTBT-GOSISDBHSA-N 1 3 315.461 2.063 20 0 DEADHO C[N@H+](Cc1ccccc1)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029905489 639756904 /nfs/dbraw/zinc/75/69/04/639756904.db2.gz OEEGNZYOZUUTBT-GOSISDBHSA-N 1 3 315.461 2.063 20 0 DEADHO CN1CCCC[C@H]1CC[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000839576653 639759549 /nfs/dbraw/zinc/75/95/49/639759549.db2.gz PYIIFUJYNPWNAC-JKSUJKDBSA-N 1 3 306.454 2.030 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC(C[N@H+](C)CC3CCC3)CC2)C1 ZINC001029995707 640022601 /nfs/dbraw/zinc/02/26/01/640022601.db2.gz VOXLUBBTDJOVLM-INIZCTEOSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC(C[N@@H+](C)CC3CCC3)CC2)C1 ZINC001029995707 640022602 /nfs/dbraw/zinc/02/26/02/640022602.db2.gz VOXLUBBTDJOVLM-INIZCTEOSA-N 1 3 321.509 2.299 20 0 DEADHO CC1CC(C[N@H+](C)CC2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001030013681 640050085 /nfs/dbraw/zinc/05/00/85/640050085.db2.gz PCSBRYHINPXQHC-UHFFFAOYSA-N 1 3 321.509 2.299 20 0 DEADHO CC1CC(C[N@@H+](C)CC2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001030013681 640050089 /nfs/dbraw/zinc/05/00/89/640050089.db2.gz PCSBRYHINPXQHC-UHFFFAOYSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@@H]1[C@@H]([NH2+]CCC2CC2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987255266 640143793 /nfs/dbraw/zinc/14/37/93/640143793.db2.gz NWJGCQRGYMFFLW-WBVHZDCISA-N 1 3 307.482 2.097 20 0 DEADHO C[NH2+]CCN(C)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000841820431 650570374 /nfs/dbraw/zinc/57/03/74/650570374.db2.gz NMKVRLOLDPXCBO-QGZVFWFLSA-N 1 3 318.465 2.074 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)N2CCCC[C@@H]2CC[NH3+])cc(Cl)n1 ZINC000841851643 650580252 /nfs/dbraw/zinc/58/02/52/650580252.db2.gz RVTAUVDIYGJBDF-KGLIPLIRSA-N 1 3 324.856 2.163 20 0 DEADHO CN(C(=O)NC[C@@H]1N(C)CCCC1(C)C)C1CCC([NH3+])CC1 ZINC000841891763 650595695 /nfs/dbraw/zinc/59/56/95/650595695.db2.gz UJVLVZSHKBVLKS-NRXISQOPSA-N 1 3 310.486 2.018 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](O)c2ccco2)[C@@H](C)C1 ZINC000764767189 640690721 /nfs/dbraw/zinc/69/07/21/640690721.db2.gz GFOIHRGWRSASRF-JYJNAYRXSA-N 1 3 310.438 2.040 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)CN1C(=O)CN(C)C1CCC1 ZINC000988957248 640696510 /nfs/dbraw/zinc/69/65/10/640696510.db2.gz XHKAWVUDVDFIKP-HOCLYGCPSA-N 1 3 321.509 2.486 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2)CN1C(=O)CN(C)C1CCC1 ZINC000988966470 640698728 /nfs/dbraw/zinc/69/87/28/640698728.db2.gz LYDPVKYPZMDNHO-WBVHZDCISA-N 1 3 315.461 2.250 20 0 DEADHO COc1ccc2c(c1)[nH+]ccc2N1CCN(CC(C)(C)O)CC1 ZINC000765485976 640783032 /nfs/dbraw/zinc/78/30/32/640783032.db2.gz OQWNQMOCJYNUAN-UHFFFAOYSA-N 1 3 315.417 2.136 20 0 DEADHO COc1ccc([C@@H](NC(C)C)C(=O)NC[C@H](C)C[NH+](C)C)cc1 ZINC000897823308 640945643 /nfs/dbraw/zinc/94/56/43/640945643.db2.gz CLTYYPLKLHKMDI-WMLDXEAASA-N 1 3 321.465 2.048 20 0 DEADHO COc1ccc2c(c1)[nH+]ccc2N1C[C@H](C)N(CCO)C[C@H]1C ZINC000842046126 650634093 /nfs/dbraw/zinc/63/40/93/650634093.db2.gz PVEJXMLXXFBPKG-UONOGXRCSA-N 1 3 315.417 2.135 20 0 DEADHO CCc1noc(C)c1[C@H](C)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000769870934 641303400 /nfs/dbraw/zinc/30/34/00/641303400.db2.gz CBRSNXSFECFZPW-DZGCQCFKSA-N 1 3 320.481 2.365 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001014507783 641367249 /nfs/dbraw/zinc/36/72/49/641367249.db2.gz LBXFDWMVUQONKM-FGTMMUONSA-N 1 3 319.493 2.408 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(CC3=CCCCC3)C2)CC[N@H+]1C ZINC001014507783 641367253 /nfs/dbraw/zinc/36/72/53/641367253.db2.gz LBXFDWMVUQONKM-FGTMMUONSA-N 1 3 319.493 2.408 20 0 DEADHO CN(CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)Cc1ccccc1 ZINC000900338308 642326139 /nfs/dbraw/zinc/32/61/39/642326139.db2.gz VJAOFPUSFRKYGZ-MSOLQXFVSA-N 1 3 315.461 2.252 20 0 DEADHO CN(CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)Cc1ccccc1 ZINC000900338308 642326144 /nfs/dbraw/zinc/32/61/44/642326144.db2.gz VJAOFPUSFRKYGZ-MSOLQXFVSA-N 1 3 315.461 2.252 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@]23CC[NH2+]C3)c1 ZINC000900487883 642385259 /nfs/dbraw/zinc/38/52/59/642385259.db2.gz KBUULNMCSVOTCB-QGZVFWFLSA-N 1 3 302.422 2.108 20 0 DEADHO CC(C)CNC(=O)C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000781885457 642795393 /nfs/dbraw/zinc/79/53/93/642795393.db2.gz PBPOUVUTPPWOOK-UHFFFAOYSA-N 1 3 309.498 2.347 20 0 DEADHO CNc1ccccc1CNC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000902139459 642919979 /nfs/dbraw/zinc/91/99/79/642919979.db2.gz RPRWADJRMFXSJF-UHFFFAOYSA-N 1 3 316.493 2.377 20 0 DEADHO C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000783252937 642987497 /nfs/dbraw/zinc/98/74/97/642987497.db2.gz WZACSJJSWOYKSP-CRAIPNDOSA-N 1 3 315.461 2.400 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@H]2CNCC2(C)C)C1 ZINC000902451981 643046273 /nfs/dbraw/zinc/04/62/73/643046273.db2.gz ZMEHUZQOLSLUFL-UPJWGTAASA-N 1 3 318.408 2.331 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCOC1CCSCC1 ZINC000902521277 643063743 /nfs/dbraw/zinc/06/37/43/643063743.db2.gz QXOGHCZYPUOADA-GFCCVEGCSA-N 1 3 309.479 2.412 20 0 DEADHO C[C@@H](NCC1(O)CC[NH+](C)CC1)c1ccc(C(F)(F)F)cn1 ZINC000902815840 643156221 /nfs/dbraw/zinc/15/62/21/643156221.db2.gz WYFOXZWUTZXYRI-LLVKDONJSA-N 1 3 317.355 2.208 20 0 DEADHO CCN1CC[C@H](C[NH2+][C@H](C)C2(NC(=O)OC(C)(C)C)CC2)C1 ZINC000903073745 643247457 /nfs/dbraw/zinc/24/74/57/643247457.db2.gz QCRGPCFMTCBHMQ-ZIAGYGMSSA-N 1 3 311.470 2.364 20 0 DEADHO CN1CCN(CC[NH2+][C@@H](c2ccccn2)C2CC2)CC1(C)C ZINC000903166979 643279555 /nfs/dbraw/zinc/27/95/55/643279555.db2.gz GMSXBXYOKYYCRZ-QGZVFWFLSA-N 1 3 302.466 2.148 20 0 DEADHO CC(C)O[C@]1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCOC1 ZINC000903224670 643287383 /nfs/dbraw/zinc/28/73/83/643287383.db2.gz ZVAFBRJKDRXFAB-ONQFOCNCSA-N 1 3 308.466 2.318 20 0 DEADHO CC(C)O[C@]1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCOC1 ZINC000903224670 643287389 /nfs/dbraw/zinc/28/73/89/643287389.db2.gz ZVAFBRJKDRXFAB-ONQFOCNCSA-N 1 3 308.466 2.318 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000903435734 643349020 /nfs/dbraw/zinc/34/90/20/643349020.db2.gz XILAEROTUKJJQY-HIFRSBDPSA-N 1 3 319.424 2.332 20 0 DEADHO CN(CCOc1ccc(Cl)cc1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717849 643438084 /nfs/dbraw/zinc/43/80/84/643438084.db2.gz DZNATUXVDPHZIC-DLBZAZTESA-N 1 3 324.852 2.419 20 0 DEADHO NC(=O)c1ccc(CN2CCCC[C@H]2C2(C[NH3+])CCC2)cc1 ZINC000903812963 643470547 /nfs/dbraw/zinc/47/05/47/643470547.db2.gz BXJNECIYRVRRPZ-INIZCTEOSA-N 1 3 301.434 2.269 20 0 DEADHO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C[C@H](N)CC(F)F ZINC000903872875 643492884 /nfs/dbraw/zinc/49/28/84/643492884.db2.gz KTEJCIJDYLVZKD-DGCLKSJQSA-N 1 3 309.364 2.243 20 0 DEADHO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)C[C@H](N)CC(F)F ZINC000903872875 643492885 /nfs/dbraw/zinc/49/28/85/643492885.db2.gz KTEJCIJDYLVZKD-DGCLKSJQSA-N 1 3 309.364 2.243 20 0 DEADHO Cc1c(C[C@H](CN)C[NH2+]C[C@@H](C)Cc2cccs2)cnn1C ZINC000903924271 643510222 /nfs/dbraw/zinc/51/02/22/643510222.db2.gz BAKGWXPBLVZQFT-DZGCQCFKSA-N 1 3 320.506 2.376 20 0 DEADHO Cc1c(C[C@H](C[NH3+])CN2CCC(C3CCC3)CC2)cnn1C ZINC000903932291 643514352 /nfs/dbraw/zinc/51/43/52/643514352.db2.gz AFWYNQWIFJLIRV-OAHLLOKOSA-N 1 3 304.482 2.358 20 0 DEADHO CN(C)C(=O)c1cccc(CNCc2ccc(CC[NH3+])cc2)c1 ZINC000904353179 643642871 /nfs/dbraw/zinc/64/28/71/643642871.db2.gz HUBVIOAYEKIJDD-UHFFFAOYSA-N 1 3 311.429 2.179 20 0 DEADHO CCN1CCN(c2ccc(NC3CC(C[NH3+])C3)c(C)c2)CC1 ZINC000904359030 643644055 /nfs/dbraw/zinc/64/40/55/643644055.db2.gz WKYGYLZOHRXWGC-UHFFFAOYSA-N 1 3 302.466 2.286 20 0 DEADHO COc1cc(OC)c(CN2CC[C@H](C[NH3+])[C@@H](C)C2)c(OC)c1 ZINC000904411518 643662221 /nfs/dbraw/zinc/66/22/21/643662221.db2.gz LKCGIZSBBRDCQO-QWHCGFSZSA-N 1 3 308.422 2.129 20 0 DEADHO c1nn2c(c1-c1cccc(OCC[NH+]3CCCC3)c1)CNCC2 ZINC000904876084 643748944 /nfs/dbraw/zinc/74/89/44/643748944.db2.gz SUCPSVAVIPLKCK-UHFFFAOYSA-N 1 3 312.417 2.128 20 0 DEADHO CC(C)[NH+]1CCC(NC[C@H](O)CC[C@H](O)c2ccccc2)CC1 ZINC000905028934 643775986 /nfs/dbraw/zinc/77/59/86/643775986.db2.gz UYBFWQPDLJJIRH-MOPGFXCFSA-N 1 3 320.477 2.324 20 0 DEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)CCOCc2ccccc2)C1 ZINC000905157225 643801366 /nfs/dbraw/zinc/80/13/66/643801366.db2.gz YFPQVQMVQYNLHH-OTWHNJEPSA-N 1 3 320.477 2.417 20 0 DEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)CC[C@H](O)c2ccccc2)C1 ZINC000905157387 643801411 /nfs/dbraw/zinc/80/14/11/643801411.db2.gz ZUPHAOQQYQOQHK-MANSERQUSA-N 1 3 320.477 2.324 20 0 DEADHO C[C@@H](CCNC[C@@H](O)C1(O)CCCC1)[N@H+](C)Cc1ccccc1 ZINC000905144172 643810841 /nfs/dbraw/zinc/81/08/41/643810841.db2.gz FHNGZIHLPWGKGR-FUHWJXTLSA-N 1 3 320.477 2.153 20 0 DEADHO C[C@@H](CCNC[C@@H](O)C1(O)CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000905144172 643810843 /nfs/dbraw/zinc/81/08/43/643810843.db2.gz FHNGZIHLPWGKGR-FUHWJXTLSA-N 1 3 320.477 2.153 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@@H](O)CCC2(O)CCC2)C1 ZINC000905181699 643815722 /nfs/dbraw/zinc/81/57/22/643815722.db2.gz ORZBNAJMOKYHJF-SJORKVTESA-N 1 3 312.498 2.000 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@@H](O)CCC2(O)CCC2)C1 ZINC000905181699 643815727 /nfs/dbraw/zinc/81/57/27/643815727.db2.gz ORZBNAJMOKYHJF-SJORKVTESA-N 1 3 312.498 2.000 20 0 DEADHO CC(C)(C[NH2+]C[C@@H](O)CC1(CO)CCCC1)CN1CCCC1 ZINC000905234231 643845750 /nfs/dbraw/zinc/84/57/50/643845750.db2.gz YFJUXUYTBGWSQU-INIZCTEOSA-N 1 3 312.498 2.002 20 0 DEADHO CC(C)(CNC[C@@H](O)CC1(CO)CCCC1)C[NH+]1CCCC1 ZINC000905234231 643845752 /nfs/dbraw/zinc/84/57/52/643845752.db2.gz YFJUXUYTBGWSQU-INIZCTEOSA-N 1 3 312.498 2.002 20 0 DEADHO CC1CCN(CCC[NH2+]C[C@H](O)CC2(O)CCCCC2)CC1 ZINC000905889795 644073390 /nfs/dbraw/zinc/07/33/90/644073390.db2.gz PDZCIAZJSAFQGT-QGZVFWFLSA-N 1 3 312.498 2.144 20 0 DEADHO O=C(NC[C@@H]1CCN1C1CCCC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000913160177 646277661 /nfs/dbraw/zinc/27/76/61/646277661.db2.gz VGWLRZKZNXWNAQ-IXDOHACOSA-N 1 3 305.466 2.136 20 0 DEADHO O=C(NC[C@@H]1CCN1C1CCCC1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000913160177 646277667 /nfs/dbraw/zinc/27/76/67/646277667.db2.gz VGWLRZKZNXWNAQ-IXDOHACOSA-N 1 3 305.466 2.136 20 0 DEADHO C[C@H](C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1)N1CCCCCC1 ZINC000913290556 646317888 /nfs/dbraw/zinc/31/78/88/646317888.db2.gz YSUCRXZCKRLTEE-NJAFHUGGSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810281563 646347408 /nfs/dbraw/zinc/34/74/08/646347408.db2.gz BIJSVNIGHZJDKQ-PBHICJAKSA-N 1 3 313.461 2.188 20 0 DEADHO CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]21 ZINC000992859219 647308657 /nfs/dbraw/zinc/30/86/57/647308657.db2.gz MPNOEUSQCSHSTJ-OKZBNKHCSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000817892950 647373775 /nfs/dbraw/zinc/37/37/75/647373775.db2.gz AGFNMXCDYKWZDM-MGHWNKPDSA-N 1 3 320.477 2.359 20 0 DEADHO COc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(CN)nc2C)cc1 ZINC000817901492 647377141 /nfs/dbraw/zinc/37/71/41/647377141.db2.gz VYHFGWONRSCZFW-XIKOKIGWSA-N 1 3 315.417 2.242 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000817901436 647377158 /nfs/dbraw/zinc/37/71/58/647377158.db2.gz VPZQCZDMGBHVPP-OPQQBVKSSA-N 1 3 306.328 2.334 20 0 DEADHO O[C@]1(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CCc2ccccc21 ZINC000817917658 647381434 /nfs/dbraw/zinc/38/14/34/647381434.db2.gz RHEWYUCREJJUJG-KANFNMMFSA-N 1 3 300.446 2.331 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(N2CCOC2=O)cc1 ZINC000817921937 647381951 /nfs/dbraw/zinc/38/19/51/647381951.db2.gz LEBXDIOAJIVAJC-GOEBONIOSA-N 1 3 303.406 2.250 20 0 DEADHO CC(C)=CCN1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994252630 647857366 /nfs/dbraw/zinc/85/73/66/647857366.db2.gz MKAPIBKOKWMYKE-HOTGVXAUSA-N 1 3 305.466 2.018 20 0 DEADHO CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)[C@@H]1C ZINC000994481992 647967433 /nfs/dbraw/zinc/96/74/33/647967433.db2.gz CZPQHSGFUAQDCV-YOEHRIQHSA-N 1 3 303.450 2.351 20 0 DEADHO CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)[C@@H]1C ZINC000994481992 647967434 /nfs/dbraw/zinc/96/74/34/647967434.db2.gz CZPQHSGFUAQDCV-YOEHRIQHSA-N 1 3 303.450 2.351 20 0 DEADHO O[C@@H](CN1CCC[C@H]1Cc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000917640999 648019741 /nfs/dbraw/zinc/01/97/41/648019741.db2.gz UYHIJKUKBSCVAJ-ZWKOTPCHSA-N 1 3 306.425 2.289 20 0 DEADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1[NH2+]CC1CC1 ZINC000939806448 648728804 /nfs/dbraw/zinc/72/88/04/648728804.db2.gz IMLZFLMHUKSXIY-RDTXWAMCSA-N 1 3 315.461 2.208 20 0 DEADHO CC(C)C[C@@H](N)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000827248804 649000652 /nfs/dbraw/zinc/00/06/52/649000652.db2.gz DLFRWXGOUZYMQC-QGZVFWFLSA-N 1 3 318.465 2.140 20 0 DEADHO CC(C)C[C@@H](N)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000827248804 649000654 /nfs/dbraw/zinc/00/06/54/649000654.db2.gz DLFRWXGOUZYMQC-QGZVFWFLSA-N 1 3 318.465 2.140 20 0 DEADHO CCc1ccc2nccc(NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)c2c1 ZINC000827496396 649043216 /nfs/dbraw/zinc/04/32/16/649043216.db2.gz JDIDHSRGFLFANC-CVEARBPZSA-N 1 3 311.429 2.494 20 0 DEADHO CCc1ccc2nccc(NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)c2c1 ZINC000827496396 649043219 /nfs/dbraw/zinc/04/32/19/649043219.db2.gz JDIDHSRGFLFANC-CVEARBPZSA-N 1 3 311.429 2.494 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CCCCC[NH3+])C1 ZINC000827548595 649049115 /nfs/dbraw/zinc/04/91/15/649049115.db2.gz GUUMHVIDJCVMRD-NVXWUHKLSA-N 1 3 303.450 2.457 20 0 DEADHO N[C@@H](CC(F)F)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000827864943 649096997 /nfs/dbraw/zinc/09/69/97/649096997.db2.gz ZJAIWJCNSKSMGX-AWEZNQCLSA-N 1 3 317.424 2.130 20 0 DEADHO Cc1ccc([C@H](CNC(=O)C[C@@H]([NH3+])C2CC2)N2CCCC2)cc1 ZINC000827920400 649106036 /nfs/dbraw/zinc/10/60/36/649106036.db2.gz YQWSXVIMXYNLOP-MSOLQXFVSA-N 1 3 315.461 2.376 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000831621355 649618945 /nfs/dbraw/zinc/61/89/45/649618945.db2.gz NCEMNIZXKKJKRO-UHFFFAOYSA-N 1 3 309.498 2.491 20 0 DEADHO CN(C)Cc1cccc(C(=O)Nc2cccc(OCC[NH3+])c2)c1 ZINC000832603786 649727903 /nfs/dbraw/zinc/72/79/03/649727903.db2.gz NCUSHXHXTQWANU-UHFFFAOYSA-N 1 3 313.401 2.338 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@](C)(OC)c1ccccc1 ZINC000849035565 651590851 /nfs/dbraw/zinc/59/08/51/651590851.db2.gz MZDNATWJDRZHFS-WMZOPIPTSA-N 1 3 318.465 2.146 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(C)CC1(Cl)Cl ZINC000849035723 651590888 /nfs/dbraw/zinc/59/08/88/651590888.db2.gz OIMXIMRLUPNCLN-PWSUYJOCSA-N 1 3 307.269 2.169 20 0 DEADHO CCN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[C@H]1CC[N@H+](CC)C1 ZINC000855487542 651708459 /nfs/dbraw/zinc/70/84/59/651708459.db2.gz WUHMVIZWMZKEDE-WMLDXEAASA-N 1 3 313.461 2.142 20 0 DEADHO CCN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000855487542 651708464 /nfs/dbraw/zinc/70/84/64/651708464.db2.gz WUHMVIZWMZKEDE-WMLDXEAASA-N 1 3 313.461 2.142 20 0 DEADHO CCCN(C)CC(=O)NC1CCC([NH2+]CC[C@@H](C)F)CC1 ZINC001371074630 1155683848 /nfs/dbraw/zinc/68/38/48/1155683848.db2.gz VNXXYYAMBDPDPS-WLYUNCDWSA-N 1 3 301.450 2.093 20 0 DEADHO CC[C@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001391826669 1156810993 /nfs/dbraw/zinc/81/09/93/1156810993.db2.gz NCNRLCFPROJUHF-QKPAOTATSA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](CC2CCC2)CC1(C)C ZINC001393758216 1157954853 /nfs/dbraw/zinc/95/48/53/1157954853.db2.gz CMBLRWFYHVNXPO-MRXNPFEDSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](CC2CCC2)CC1(C)C ZINC001393758216 1157954863 /nfs/dbraw/zinc/95/48/63/1157954863.db2.gz CMBLRWFYHVNXPO-MRXNPFEDSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](F)CN1CCCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001394217085 1158378482 /nfs/dbraw/zinc/37/84/82/1158378482.db2.gz RKAGLQFJIJCFHC-LSDHHAIUSA-N 1 3 301.450 2.047 20 0 DEADHO CC(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001394383702 1158460451 /nfs/dbraw/zinc/46/04/51/1158460451.db2.gz OPEOVHCXFQSVFS-BRWVUGGUSA-N 1 3 309.498 2.390 20 0 DEADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001394544600 1158624463 /nfs/dbraw/zinc/62/44/63/1158624463.db2.gz UOQSERKBUZLESB-CQSZACIVSA-N 1 3 309.429 2.104 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)CCN1C ZINC000928429693 693777627 /nfs/dbraw/zinc/77/76/27/693777627.db2.gz CZILVCNRUNEHGE-JLSDUUJJSA-N 1 3 315.461 2.318 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)CCN1C ZINC000928429693 693777629 /nfs/dbraw/zinc/77/76/29/693777629.db2.gz CZILVCNRUNEHGE-JLSDUUJJSA-N 1 3 315.461 2.318 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(F)cc1C ZINC000087001343 684013367 /nfs/dbraw/zinc/01/33/67/684013367.db2.gz OGFGKGSFWGKMMO-MRXNPFEDSA-N 1 3 306.429 2.065 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](CC(C)C)C2)C1)N(C)C ZINC001054154832 693864883 /nfs/dbraw/zinc/86/48/83/693864883.db2.gz WIEMDEGPUHVERG-AEFFLSMTSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CC(C)C)C2)C1)N(C)C ZINC001054154832 693864886 /nfs/dbraw/zinc/86/48/86/693864886.db2.gz WIEMDEGPUHVERG-AEFFLSMTSA-N 1 3 309.498 2.297 20 0 DEADHO CCCN1Cc2ccc(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)cc2C1 ZINC001054281610 693912519 /nfs/dbraw/zinc/91/25/19/693912519.db2.gz RUZVASDTSURMOC-KBXCAEBGSA-N 1 3 315.461 2.226 20 0 DEADHO CCCN1Cc2ccc(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)cc2C1 ZINC001054281610 693912521 /nfs/dbraw/zinc/91/25/21/693912521.db2.gz RUZVASDTSURMOC-KBXCAEBGSA-N 1 3 315.461 2.226 20 0 DEADHO C[C@@H]1CN(CCN(C)Cc2ccc(C[NH+](C)C)cc2)C[C@@H](C)O1 ZINC000859211886 685681363 /nfs/dbraw/zinc/68/13/63/685681363.db2.gz BZEOBENDHGNAQP-IAGOWNOFSA-N 1 3 319.493 2.289 20 0 DEADHO Cc1ccc([C@H](CNC(=O)N(C)C[C@@H](C)[NH3+])N2CCCC2)cc1 ZINC000861568749 686146411 /nfs/dbraw/zinc/14/64/11/686146411.db2.gz ZSMTYBPQWYEVSN-WBVHZDCISA-N 1 3 318.465 2.121 20 0 DEADHO COCC(COC)[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000929754982 694020562 /nfs/dbraw/zinc/02/05/62/694020562.db2.gz RYTSGFGSDJQLGR-QGZVFWFLSA-N 1 3 306.450 2.102 20 0 DEADHO COCC(COC)[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000929754982 694020566 /nfs/dbraw/zinc/02/05/66/694020566.db2.gz RYTSGFGSDJQLGR-QGZVFWFLSA-N 1 3 306.450 2.102 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN[C@H]2C)C1 ZINC000863488391 686509080 /nfs/dbraw/zinc/50/90/80/686509080.db2.gz PIMZAAHYZGCYRD-UMSGYPCISA-N 1 3 304.381 2.084 20 0 DEADHO CN(CCNC(=[NH2+])Nc1ccc(CCO)cc1)C1CCCCC1 ZINC000864452339 686724752 /nfs/dbraw/zinc/72/47/52/686724752.db2.gz NFBYARGDKBNHPX-UHFFFAOYSA-N 1 3 318.465 2.422 20 0 DEADHO C[C@@H](CNC(=[NH2+])Nc1ccc(CCO)cc1)N1CCC[C@H](C)C1 ZINC000864453231 686725868 /nfs/dbraw/zinc/72/58/68/686725868.db2.gz LOFCUAIPBDSSDZ-GJZGRUSLSA-N 1 3 318.465 2.278 20 0 DEADHO CCN1CC[C@H](C[NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)C1 ZINC000865417582 687204411 /nfs/dbraw/zinc/20/44/11/687204411.db2.gz QFIMVJXZOQIGFY-KSTDHSDQSA-N 1 3 323.481 2.317 20 0 DEADHO CC(=O)NCC1CCC([NH2+]CC(C)(C)CN2CCCC2)CC1 ZINC000865540882 687252672 /nfs/dbraw/zinc/25/26/72/687252672.db2.gz CWQFBBFNPLOWDG-UHFFFAOYSA-N 1 3 309.498 2.393 20 0 DEADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)[C@H]1CC ZINC001375611400 1158828051 /nfs/dbraw/zinc/82/80/51/1158828051.db2.gz CVMHCUJTTVMMLR-BBWFWOEESA-N 1 3 309.498 2.486 20 0 DEADHO CCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)[C@H]1CC ZINC001375611400 1158828052 /nfs/dbraw/zinc/82/80/52/1158828052.db2.gz CVMHCUJTTVMMLR-BBWFWOEESA-N 1 3 309.498 2.486 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001015976314 687488079 /nfs/dbraw/zinc/48/80/79/687488079.db2.gz LWVXENJMVRNMAA-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001015976314 687488081 /nfs/dbraw/zinc/48/80/81/687488081.db2.gz LWVXENJMVRNMAA-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+][C@H](c2ccccn2)C(C)C)CC1 ZINC000866232272 687502522 /nfs/dbraw/zinc/50/25/22/687502522.db2.gz JDXALGZYCGBDGJ-AEFFLSMTSA-N 1 3 304.482 2.394 20 0 DEADHO CCN1CC[C@@H]([NH2+]Cc2cc3c([nH]c2=O)CCCC3)[C@H](C)C1 ZINC000866641102 687636330 /nfs/dbraw/zinc/63/63/30/687636330.db2.gz OOTFIVADXWHLGR-CZUORRHYSA-N 1 3 303.450 2.486 20 0 DEADHO NC(=O)c1ccc(CCN(CCC[NH3+])Cc2ccccc2)cc1 ZINC000866663224 687644958 /nfs/dbraw/zinc/64/49/58/687644958.db2.gz BWZFQLBUHCTLOO-UHFFFAOYSA-N 1 3 311.429 2.179 20 0 DEADHO C[NH2+]C[C@@](C)(O)CN1CCC[C@@H](c2ccccc2OC)CC1 ZINC000866717707 687663660 /nfs/dbraw/zinc/66/36/60/687663660.db2.gz MXYKZNLHCQKCLK-CRAIPNDOSA-N 1 3 306.450 2.235 20 0 DEADHO CC(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001016821047 687710165 /nfs/dbraw/zinc/71/01/65/687710165.db2.gz WXSKRSKRENYONV-SJORKVTESA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1)N(C)C ZINC001019034557 688274699 /nfs/dbraw/zinc/27/46/99/688274699.db2.gz HFJKBKJFLSDXOJ-XOKHGSTOSA-N 1 3 321.440 2.417 20 0 DEADHO CC[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)c1ccccc1 ZINC001019241662 688305518 /nfs/dbraw/zinc/30/55/18/688305518.db2.gz RTRPVIGIXQBJDX-RCCFBDPRSA-N 1 3 315.461 2.422 20 0 DEADHO O=C(CC[NH+]1CCCCC1)N1CC[C@H](NCc2ccsc2)C1 ZINC001019815979 688413311 /nfs/dbraw/zinc/41/33/11/688413311.db2.gz PMJULIHKEDYKCL-INIZCTEOSA-N 1 3 321.490 2.315 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001028845926 688545035 /nfs/dbraw/zinc/54/50/35/688545035.db2.gz UDLUQBIUKFOLLK-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001028845926 688545036 /nfs/dbraw/zinc/54/50/36/688545036.db2.gz UDLUQBIUKFOLLK-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CCCC2)C1 ZINC001029674681 688564675 /nfs/dbraw/zinc/56/46/75/688564675.db2.gz IJRICZJULMUACK-DLBZAZTESA-N 1 3 307.482 2.051 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001029674681 688564677 /nfs/dbraw/zinc/56/46/77/688564677.db2.gz IJRICZJULMUACK-DLBZAZTESA-N 1 3 307.482 2.051 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CCCC2)C1)C1CC1 ZINC001029756144 688572930 /nfs/dbraw/zinc/57/29/30/688572930.db2.gz RJRMTWKEDUDMAY-SJLPKXTDSA-N 1 3 321.509 2.297 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CCCC2)C1)C1CC1 ZINC001029756144 688572932 /nfs/dbraw/zinc/57/29/32/688572932.db2.gz RJRMTWKEDUDMAY-SJLPKXTDSA-N 1 3 321.509 2.297 20 0 DEADHO O=C(CC[NH2+]CC1CC1)NC[C@H](c1cccs1)N1CCCC1 ZINC000870854356 688668257 /nfs/dbraw/zinc/66/82/57/688668257.db2.gz XKKSMAZXUCZINP-OAHLLOKOSA-N 1 3 321.490 2.391 20 0 DEADHO Cc1ccc([C@H](CNC(=O)CCC23CC(C2)C[NH2+]3)N(C)C)cc1 ZINC000870875049 688674875 /nfs/dbraw/zinc/67/48/75/688674875.db2.gz UJXKGBRUWKNGKZ-RMXPPQQLSA-N 1 3 315.461 2.246 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870926416 688688780 /nfs/dbraw/zinc/68/87/80/688688780.db2.gz CNKJLCPFIUTHKY-DZJNRPSUSA-N 1 3 315.461 2.141 20 0 DEADHO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000870989680 688705458 /nfs/dbraw/zinc/70/54/58/688705458.db2.gz MMFSBXMDQGMHIP-APWZRJJASA-N 1 3 315.461 2.097 20 0 DEADHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1cc(O)ccc1F ZINC000872040875 688917602 /nfs/dbraw/zinc/91/76/02/688917602.db2.gz NWJXEZOHFDSNIB-ZDUSSCGKSA-N 1 3 309.429 2.208 20 0 DEADHO CC(C)(C)[C@]1(CN)CC[N@H+](C[C@H]2CC3(CO2)CCOCC3)C1 ZINC000872144966 688936185 /nfs/dbraw/zinc/93/61/85/688936185.db2.gz JUBZQFDVVMUQIL-QAPCUYQASA-N 1 3 310.482 2.269 20 0 DEADHO CC(C)(C)[C@]1(CN)CC[N@@H+](C[C@H]2CC3(CO2)CCOCC3)C1 ZINC000872144966 688936186 /nfs/dbraw/zinc/93/61/86/688936186.db2.gz JUBZQFDVVMUQIL-QAPCUYQASA-N 1 3 310.482 2.269 20 0 DEADHO CC(C)(O)C[C@@H](O)CNCc1ccccc1C[NH+]1CCCCC1 ZINC000872198435 688949734 /nfs/dbraw/zinc/94/97/34/688949734.db2.gz XVQGDEGTIDUWHG-GOSISDBHSA-N 1 3 320.477 2.284 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCC1C[NH+](CC2CCCC2)C1 ZINC001031665741 688976344 /nfs/dbraw/zinc/97/63/44/688976344.db2.gz GGMUBIFKZPHYBE-KRWDZBQOSA-N 1 3 307.482 2.097 20 0 DEADHO C(N[C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1CC2(CO1)CCOCC2 ZINC000873250248 689194446 /nfs/dbraw/zinc/19/44/46/689194446.db2.gz FJTZDMJORZMUHR-QZWWFDLISA-N 1 3 308.466 2.082 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001033472432 689513731 /nfs/dbraw/zinc/51/37/31/689513731.db2.gz VPBHUKSLBHZFJU-DLBZAZTESA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001033472432 689513734 /nfs/dbraw/zinc/51/37/34/689513734.db2.gz VPBHUKSLBHZFJU-DLBZAZTESA-N 1 3 309.498 2.438 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000876728565 689918297 /nfs/dbraw/zinc/91/82/97/689918297.db2.gz PKRCZPTZINVHOI-OKILXGFUSA-N 1 3 305.422 2.213 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@]23CCC[C@H]2[NH2+]CC3)N(C)C)cc1 ZINC000876732476 689920036 /nfs/dbraw/zinc/92/00/36/689920036.db2.gz XDYGAQWJGYPLEO-LMMKCTJWSA-N 1 3 315.461 2.246 20 0 DEADHO CN(C)CCN(C(=O)CCC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000876742419 689923586 /nfs/dbraw/zinc/92/35/86/689923586.db2.gz XURBLMPSKWSUCN-UHFFFAOYSA-N 1 3 301.434 2.113 20 0 DEADHO CN1CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)C2(CCCCC2)C1 ZINC000876778675 689935359 /nfs/dbraw/zinc/93/53/59/689935359.db2.gz LNWJOFKKDDBLPF-WAVCKPEOSA-N 1 3 305.466 2.019 20 0 DEADHO CN(C)C[C@H](NC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C)c1ccc(Cl)cc1 ZINC000876881553 689963074 /nfs/dbraw/zinc/96/30/74/689963074.db2.gz JRRKMYXMVBNPDJ-KKUMJFAQSA-N 1 3 323.868 2.432 20 0 DEADHO c1ccc([C@@H]2C[C@@H](NC[C@H]3COCCO3)CC[N@@H+]2C2CC2)cc1 ZINC000876951877 689981127 /nfs/dbraw/zinc/98/11/27/689981127.db2.gz QLUWFXHLDZSQFP-WDSOQIARSA-N 1 3 316.445 2.360 20 0 DEADHO c1ccc([C@@H]2C[C@@H](NC[C@H]3COCCO3)CC[N@H+]2C2CC2)cc1 ZINC000876951877 689981131 /nfs/dbraw/zinc/98/11/31/689981131.db2.gz QLUWFXHLDZSQFP-WDSOQIARSA-N 1 3 316.445 2.360 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1)C1CC1 ZINC001034959666 689998919 /nfs/dbraw/zinc/99/89/19/689998919.db2.gz FRCVOOZWVNWMOB-QZTJIDSGSA-N 1 3 319.493 2.408 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@H](C)[NH2+]C1CC1 ZINC000877030275 690002347 /nfs/dbraw/zinc/00/23/47/690002347.db2.gz DPUDYCRCMBNCMJ-FDQGKXFDSA-N 1 3 313.445 2.270 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N2CCCCC[C@H]([NH3+])C2)cc(Cl)n1 ZINC000877126575 690024264 /nfs/dbraw/zinc/02/42/64/690024264.db2.gz OCGBXOMEUUTXFY-UONOGXRCSA-N 1 3 324.856 2.163 20 0 DEADHO CC1CC(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCC(C)CC2)C1 ZINC001035086624 690028534 /nfs/dbraw/zinc/02/85/34/690028534.db2.gz YHBGXOSDVPQMPT-DAWZGUTISA-N 1 3 321.509 2.345 20 0 DEADHO CCC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@@H]1C)CC2 ZINC001035228320 690066582 /nfs/dbraw/zinc/06/65/82/690066582.db2.gz IMFRYABGVXCWMT-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@@H]1C)CC2 ZINC001035228320 690066585 /nfs/dbraw/zinc/06/65/85/690066585.db2.gz IMFRYABGVXCWMT-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@@H]1C)CC2 ZINC001035228318 690067275 /nfs/dbraw/zinc/06/72/75/690067275.db2.gz IKMPEQRFZSOGST-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@@H]1C)CC2 ZINC001035228318 690067279 /nfs/dbraw/zinc/06/72/79/690067279.db2.gz IKMPEQRFZSOGST-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000877451491 690116404 /nfs/dbraw/zinc/11/64/04/690116404.db2.gz NJBCXWGACCFKIK-GVDBMIGSSA-N 1 3 315.461 2.408 20 0 DEADHO N[C@H](CC(F)F)C(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000877452691 690117256 /nfs/dbraw/zinc/11/72/56/690117256.db2.gz QMCRHFGEOXNYOO-IACUBPJLSA-N 1 3 317.424 2.115 20 0 DEADHO CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](C1CC1)N(C)C)CC2 ZINC001035721162 690161092 /nfs/dbraw/zinc/16/10/92/690161092.db2.gz RLPMWQKQSGBCKP-NVXWUHKLSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)CC[NH+]1CC2(C1)CCN(C(=O)CN1CCC[C@@H]1C)CC2 ZINC001035799110 690179817 /nfs/dbraw/zinc/17/98/17/690179817.db2.gz TWZDREZYXYZERL-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CCn1nc(C)c(CN(CCOC)CC2CC[NH+](C)CC2)c1C ZINC000877665189 690183642 /nfs/dbraw/zinc/18/36/42/690183642.db2.gz KWGVUFJFSHPQMF-UHFFFAOYSA-N 1 3 322.497 2.310 20 0 DEADHO CCCC[NH+]1CC2(C1)CCN(C(=O)CN1CCC(C)CC1)CC2 ZINC001035824077 690185760 /nfs/dbraw/zinc/18/57/60/690185760.db2.gz QMDNJAROIOYOAN-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1[NH2+]CC1CCC1 ZINC001036183591 690284452 /nfs/dbraw/zinc/28/44/52/690284452.db2.gz SLBYGVXXAXUTGG-WBVHZDCISA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001036229200 690296166 /nfs/dbraw/zinc/29/61/66/690296166.db2.gz HLCUCQDDSONVSL-IAGOWNOFSA-N 1 3 309.498 2.201 20 0 DEADHO COC(=O)[C@@H]1CCCC[C@@H]1CN1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931317177 694366467 /nfs/dbraw/zinc/36/64/67/694366467.db2.gz NJFZRAFHXCWTKZ-JOCBIADPSA-N 1 3 308.466 2.239 20 0 DEADHO CN(CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC2CCC2)C1)C1CCC1 ZINC001036737980 690454422 /nfs/dbraw/zinc/45/44/22/690454422.db2.gz ZASIPNKIZDEUDK-FUHWJXTLSA-N 1 3 319.493 2.194 20 0 DEADHO CN(CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC2CCC2)C1)C1CCC1 ZINC001036737980 690454425 /nfs/dbraw/zinc/45/44/25/690454425.db2.gz ZASIPNKIZDEUDK-FUHWJXTLSA-N 1 3 319.493 2.194 20 0 DEADHO CCC(CC)NC(=O)[C@H](C)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248936 690602457 /nfs/dbraw/zinc/60/24/57/690602457.db2.gz ZKOHZICAFBHILG-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[C@H](C)NC(=O)[C@@H](C)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248452 690602535 /nfs/dbraw/zinc/60/25/35/690602535.db2.gz OYPZSAZDFYITPY-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO C[NH+]1CCC(NC(=O)CN2CCC[C@H](C3CCC3)CC2)CC1 ZINC000879426190 690639133 /nfs/dbraw/zinc/63/91/33/690639133.db2.gz COZVHXOKFFJPMF-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO CCC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1CC ZINC001037924707 690641319 /nfs/dbraw/zinc/64/13/19/690641319.db2.gz AWKHNSCIYUDTOH-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO CCc1ccccc1CN1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001038096008 690701809 /nfs/dbraw/zinc/70/18/09/690701809.db2.gz OYPNUDQWPKGLAH-QZTJIDSGSA-N 1 3 315.461 2.034 20 0 DEADHO CCc1ccccc1CN1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001038096008 690701811 /nfs/dbraw/zinc/70/18/11/690701811.db2.gz OYPNUDQWPKGLAH-QZTJIDSGSA-N 1 3 315.461 2.034 20 0 DEADHO CC(C)CN(CC(=O)Nc1nccs1)CC1CC[NH+](C)CC1 ZINC000879704009 690710699 /nfs/dbraw/zinc/71/06/99/690710699.db2.gz ICJGVPOBICSHBI-UHFFFAOYSA-N 1 3 324.494 2.381 20 0 DEADHO CC(C)CN1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038249708 690757698 /nfs/dbraw/zinc/75/76/98/690757698.db2.gz WEOCSOXARVIMNM-FUHWJXTLSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CN1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038249708 690757703 /nfs/dbraw/zinc/75/77/03/690757703.db2.gz WEOCSOXARVIMNM-FUHWJXTLSA-N 1 3 321.509 2.488 20 0 DEADHO C[NH+](C)CC1(O)CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000931486761 694410318 /nfs/dbraw/zinc/41/03/18/694410318.db2.gz JVSDURYZOLTOCG-UHFFFAOYSA-N 1 3 312.841 2.107 20 0 DEADHO Cc1ccc(C)c(OCCN2CCC(O)(C[NH+](C)C)CC2)c1 ZINC000931487205 694410642 /nfs/dbraw/zinc/41/06/42/694410642.db2.gz VXUCMBUSJLVHLA-UHFFFAOYSA-N 1 3 306.450 2.071 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039236567 691063724 /nfs/dbraw/zinc/06/37/24/691063724.db2.gz DOYZYRWUFWGTAF-NVXWUHKLSA-N 1 3 318.465 2.311 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039236567 691063725 /nfs/dbraw/zinc/06/37/25/691063725.db2.gz DOYZYRWUFWGTAF-NVXWUHKLSA-N 1 3 318.465 2.311 20 0 DEADHO CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)N(C)C ZINC001039389646 691095791 /nfs/dbraw/zinc/09/57/91/691095791.db2.gz DSTVBSKNOGTLQS-IKGGRYGDSA-N 1 3 309.498 2.438 20 0 DEADHO CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)N(C)C ZINC001039389646 691095793 /nfs/dbraw/zinc/09/57/93/691095793.db2.gz DSTVBSKNOGTLQS-IKGGRYGDSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[C@H](C)C1 ZINC001039437629 691105691 /nfs/dbraw/zinc/10/56/91/691105691.db2.gz RQGZIAMMYAQKTR-KSZLIROESA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[C@H](C)C1 ZINC001039437629 691105694 /nfs/dbraw/zinc/10/56/94/691105694.db2.gz RQGZIAMMYAQKTR-KSZLIROESA-N 1 3 321.509 2.440 20 0 DEADHO CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001039486623 691118039 /nfs/dbraw/zinc/11/80/39/691118039.db2.gz ONGAZRDPWAINOQ-KRWDZBQOSA-N 1 3 307.482 2.050 20 0 DEADHO CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001039486623 691118040 /nfs/dbraw/zinc/11/80/40/691118040.db2.gz ONGAZRDPWAINOQ-KRWDZBQOSA-N 1 3 307.482 2.050 20 0 DEADHO CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001040396508 691242531 /nfs/dbraw/zinc/24/25/31/691242531.db2.gz UPYLOHDSXLMNCB-HKUYNNGSSA-N 1 3 321.509 2.443 20 0 DEADHO CCCC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001040396508 691242535 /nfs/dbraw/zinc/24/25/35/691242535.db2.gz UPYLOHDSXLMNCB-HKUYNNGSSA-N 1 3 321.509 2.443 20 0 DEADHO CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040422445 691245997 /nfs/dbraw/zinc/24/59/97/691245997.db2.gz MZDRWCZZLDTPBJ-KRWDZBQOSA-N 1 3 304.438 2.067 20 0 DEADHO CCCC[N@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040422445 691246001 /nfs/dbraw/zinc/24/60/01/691246001.db2.gz MZDRWCZZLDTPBJ-KRWDZBQOSA-N 1 3 304.438 2.067 20 0 DEADHO COc1ccccc1C[C@](C)(CO)NCC[C@@H]1CCC[N@@H+]1C ZINC000931602059 694436570 /nfs/dbraw/zinc/43/65/70/694436570.db2.gz AULGMAUBBGZTOZ-FUHWJXTLSA-N 1 3 306.450 2.063 20 0 DEADHO COc1ccccc1C[C@](C)(CO)NCC[C@@H]1CCC[N@H+]1C ZINC000931602059 694436574 /nfs/dbraw/zinc/43/65/74/694436574.db2.gz AULGMAUBBGZTOZ-FUHWJXTLSA-N 1 3 306.450 2.063 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC2(C1)CC[NH+](CCC1CC1)CC2 ZINC001040869940 691294195 /nfs/dbraw/zinc/29/41/95/691294195.db2.gz RMONVMHLPIKMJN-UHFFFAOYSA-N 1 3 316.449 2.067 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041356471 691366392 /nfs/dbraw/zinc/36/63/92/691366392.db2.gz YEHITWLWKSOOCF-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C)C[N@H+]1CC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041356471 691366394 /nfs/dbraw/zinc/36/63/94/691366394.db2.gz YEHITWLWKSOOCF-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001041679052 691409213 /nfs/dbraw/zinc/40/92/13/691409213.db2.gz KGKIWHFQBWVHID-IEBWSBKVSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001041679052 691409216 /nfs/dbraw/zinc/40/92/16/691409216.db2.gz KGKIWHFQBWVHID-IEBWSBKVSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001041757150 691424650 /nfs/dbraw/zinc/42/46/50/691424650.db2.gz PLHNPXQJNJWAHB-LJQANCHMSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)C[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001041757150 691424653 /nfs/dbraw/zinc/42/46/53/691424653.db2.gz PLHNPXQJNJWAHB-LJQANCHMSA-N 1 3 321.509 2.299 20 0 DEADHO CN1CC[C@@H]([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)CC1(C)C ZINC000883362967 691489505 /nfs/dbraw/zinc/48/95/05/691489505.db2.gz RVYUADDBESOZKO-BDAKNGLRSA-N 1 3 304.303 2.007 20 0 DEADHO CN(C[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000883423886 691505262 /nfs/dbraw/zinc/50/52/62/691505262.db2.gz XVSVGSJGXGDYME-BZSNNMDCSA-N 1 3 305.441 2.283 20 0 DEADHO CC(C)(C)[C@@]1(CN)CC[N@H+](C[C@@H]2CCC3(CCOCC3)O2)C1 ZINC000883438828 691510284 /nfs/dbraw/zinc/51/02/84/691510284.db2.gz DCVQNGNMDQDFPX-DOTOQJQBSA-N 1 3 310.482 2.412 20 0 DEADHO CC(C)(C)[C@@]1(CN)CC[N@@H+](C[C@@H]2CCC3(CCOCC3)O2)C1 ZINC000883438828 691510288 /nfs/dbraw/zinc/51/02/88/691510288.db2.gz DCVQNGNMDQDFPX-DOTOQJQBSA-N 1 3 310.482 2.412 20 0 DEADHO O=C(CC[N@@H+]1CCNCCC12CCC2)Nc1ccc(F)cc1 ZINC000883457865 691516213 /nfs/dbraw/zinc/51/62/13/691516213.db2.gz PVADYYUGTYRHCS-UHFFFAOYSA-N 1 3 305.397 2.372 20 0 DEADHO O=C(CC[N@H+]1CCNCCC12CCC2)Nc1ccc(F)cc1 ZINC000883457865 691516215 /nfs/dbraw/zinc/51/62/15/691516215.db2.gz PVADYYUGTYRHCS-UHFFFAOYSA-N 1 3 305.397 2.372 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@H]21 ZINC001042185386 691531888 /nfs/dbraw/zinc/53/18/88/691531888.db2.gz BIHKKOJMNHGFHI-HZPDHXFCSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@H]21 ZINC001042185386 691531891 /nfs/dbraw/zinc/53/18/91/691531891.db2.gz BIHKKOJMNHGFHI-HZPDHXFCSA-N 1 3 307.482 2.194 20 0 DEADHO N[C@@H](CC1CC1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000884180984 691675782 /nfs/dbraw/zinc/67/57/82/691675782.db2.gz RIKBWMOOQMJQKD-KRWDZBQOSA-N 1 3 301.434 2.026 20 0 DEADHO CC[NH+](CC)CCOc1ccc(NC(=O)[C@H](N)CC2CC2)cc1 ZINC000884183264 691676513 /nfs/dbraw/zinc/67/65/13/691676513.db2.gz HNFFWMWLPHWQLX-QGZVFWFLSA-N 1 3 319.449 2.473 20 0 DEADHO CC(C)(CNC(=O)[C@H]([NH3+])CC1CC1)N1CCc2ccccc2C1 ZINC000884188562 691677587 /nfs/dbraw/zinc/67/75/87/691677587.db2.gz KGRIALUMMSQJRF-QGZVFWFLSA-N 1 3 315.461 2.067 20 0 DEADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H](N)CC2CC2)c1 ZINC000884187655 691677778 /nfs/dbraw/zinc/67/77/78/691677778.db2.gz LDWXBMQTMVACPP-KRWDZBQOSA-N 1 3 303.450 2.272 20 0 DEADHO CC1(C)C[NH2+]C[C@H]1C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000884189799 691678099 /nfs/dbraw/zinc/67/80/99/691678099.db2.gz NEQRWPQYHPSNKY-DLBZAZTESA-N 1 3 315.461 2.185 20 0 DEADHO CC(C)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H](C)C1 ZINC001044795026 691888457 /nfs/dbraw/zinc/88/84/57/691888457.db2.gz ZCYBTHBOLWYSEN-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CN1CCCC1 ZINC001044857177 691898252 /nfs/dbraw/zinc/89/82/52/691898252.db2.gz FTCZBQQGFLPCMK-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO CCN1CCN(CCC[NH2+]C/C=C/c2cccc(F)c2)CC1 ZINC000885922526 691963053 /nfs/dbraw/zinc/96/30/53/691963053.db2.gz DFQOWBVBJYVAEE-QPJJXVBHSA-N 1 3 305.441 2.456 20 0 DEADHO CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001045966990 692064343 /nfs/dbraw/zinc/06/43/43/692064343.db2.gz KULRBSQAVHUUQG-AEFFLSMTSA-N 1 3 307.482 2.053 20 0 DEADHO CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001045966990 692064345 /nfs/dbraw/zinc/06/43/45/692064345.db2.gz KULRBSQAVHUUQG-AEFFLSMTSA-N 1 3 307.482 2.053 20 0 DEADHO CC(C)[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045969296 692065573 /nfs/dbraw/zinc/06/55/73/692065573.db2.gz NPKAWJGVGUEJGX-KRWDZBQOSA-N 1 3 304.438 2.065 20 0 DEADHO CC(C)[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045969296 692065576 /nfs/dbraw/zinc/06/55/76/692065576.db2.gz NPKAWJGVGUEJGX-KRWDZBQOSA-N 1 3 304.438 2.065 20 0 DEADHO OC[C@@H](CCF)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886633377 692141583 /nfs/dbraw/zinc/14/15/83/692141583.db2.gz UKSOPVNPOYKCEX-MLHJIOFPSA-N 1 3 306.425 2.350 20 0 DEADHO OC[C@@H](CCF)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886633377 692141586 /nfs/dbraw/zinc/14/15/86/692141586.db2.gz UKSOPVNPOYKCEX-MLHJIOFPSA-N 1 3 306.425 2.350 20 0 DEADHO OC[C@@H](CCF)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886633377 692141589 /nfs/dbraw/zinc/14/15/89/692141589.db2.gz UKSOPVNPOYKCEX-MLHJIOFPSA-N 1 3 306.425 2.350 20 0 DEADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(CCSC(F)(F)F)CC1 ZINC000886839276 692206622 /nfs/dbraw/zinc/20/66/22/692206622.db2.gz ALNUEVSZCOCEDR-VXGBXAGGSA-N 1 3 312.401 2.458 20 0 DEADHO CN(C)[C@H](CNC(=O)C[NH2+]C1(C2CC2)CCC1)c1ccccc1 ZINC000887147513 692291920 /nfs/dbraw/zinc/29/19/20/692291920.db2.gz PVBHNAJVUJXKEH-QGZVFWFLSA-N 1 3 315.461 2.328 20 0 DEADHO Cc1ccc(CN2CC[C@@](C)(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001046834925 692312658 /nfs/dbraw/zinc/31/26/58/692312658.db2.gz XYDSQCYEGMCALS-PKOBYXMFSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccc(CN2CC[C@@](C)(NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001046834925 692312662 /nfs/dbraw/zinc/31/26/62/692312662.db2.gz XYDSQCYEGMCALS-PKOBYXMFSA-N 1 3 315.461 2.027 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H](C2CC[NH+](CC)CC2)C1)N(C)C ZINC001047244786 692402095 /nfs/dbraw/zinc/40/20/95/692402095.db2.gz UJFFLKAIFXDYJZ-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]CC1CCC1 ZINC001048415151 692614477 /nfs/dbraw/zinc/61/44/77/692614477.db2.gz AGHOQAXIHIZXCQ-FUHWJXTLSA-N 1 3 321.509 2.203 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049849750 693022157 /nfs/dbraw/zinc/02/21/57/693022157.db2.gz PRROHQJMXDZRNY-LSDHHAIUSA-N 1 3 318.465 2.409 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049849750 693022159 /nfs/dbraw/zinc/02/21/59/693022159.db2.gz PRROHQJMXDZRNY-LSDHHAIUSA-N 1 3 318.465 2.409 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049849748 693022248 /nfs/dbraw/zinc/02/22/48/693022248.db2.gz PRROHQJMXDZRNY-HUUCEWRRSA-N 1 3 318.465 2.409 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049849748 693022249 /nfs/dbraw/zinc/02/22/49/693022249.db2.gz PRROHQJMXDZRNY-HUUCEWRRSA-N 1 3 318.465 2.409 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCC3)CC2)C1 ZINC001050367523 693166506 /nfs/dbraw/zinc/16/65/06/693166506.db2.gz NGWWMZNZWICTMX-KBAYOESNSA-N 1 3 321.509 2.393 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cnn(C3CCC3)c2)CC1 ZINC000924656596 693166713 /nfs/dbraw/zinc/16/67/13/693166713.db2.gz BPFNOIJSYZBHLA-INIZCTEOSA-N 1 3 319.497 2.286 20 0 DEADHO CC(C)C[NH+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001050661206 693226618 /nfs/dbraw/zinc/22/66/18/693226618.db2.gz PQVJVPCONIIITP-UHFFFAOYSA-N 1 3 321.509 2.299 20 0 DEADHO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925498595 693283279 /nfs/dbraw/zinc/28/32/79/693283279.db2.gz HBNRYCSSXGWJEY-OWSLCNJRSA-N 1 3 321.509 2.391 20 0 DEADHO c1ccn2c(c1)nnc2CCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925512085 693286246 /nfs/dbraw/zinc/28/62/46/693286246.db2.gz ZEWMZLDREBAZGE-JKSUJKDBSA-N 1 3 313.449 2.030 20 0 DEADHO N[C@H]1C[C@H]([NH2+]CCc2ccn(-c3ccc(F)cc3)n2)C12CCC2 ZINC000925524573 693288768 /nfs/dbraw/zinc/28/87/68/693288768.db2.gz VQECNDACIXOXON-IRXDYDNUSA-N 1 3 314.408 2.413 20 0 DEADHO C[C@H](c1ccncc1)N1CCC(N[C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925607407 693307761 /nfs/dbraw/zinc/30/77/61/693307761.db2.gz PIEIPLRKWFPJOL-RHSMWYFYSA-N 1 3 302.466 2.337 20 0 DEADHO CN1CC[C@@H](CN[C@H]2CC[NH2+]C23CCCC3)[C@@H]1c1cccnc1 ZINC000925685982 693324228 /nfs/dbraw/zinc/32/42/28/693324228.db2.gz OTWVZUIWRVPTNI-BZSNNMDCSA-N 1 3 314.477 2.339 20 0 DEADHO CC[C@@H]1COC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000926695240 693493537 /nfs/dbraw/zinc/49/35/37/693493537.db2.gz ZGFBEVHVMVBJFU-QZTJIDSGSA-N 1 3 303.450 2.308 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 ZINC000926801732 693513576 /nfs/dbraw/zinc/51/35/76/693513576.db2.gz PFVPBJVEEXUUHJ-WSTAPGMRSA-N 1 3 323.481 2.220 20 0 DEADHO C[C@H](N[C@@H]1CC(=O)N(CC2CC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000926866352 693520583 /nfs/dbraw/zinc/52/05/83/693520583.db2.gz OZPWRCUFQPHVNF-KBXCAEBGSA-N 1 3 315.461 2.410 20 0 DEADHO C[C@@H](N[C@H]1CC(=O)N(CC2CC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000926866356 693520678 /nfs/dbraw/zinc/52/06/78/693520678.db2.gz OZPWRCUFQPHVNF-KDOFPFPSSA-N 1 3 315.461 2.410 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC(C)C)CC1 ZINC001052425729 693531204 /nfs/dbraw/zinc/53/12/04/693531204.db2.gz BURIGNHIQFVJEX-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(C)C)CC1 ZINC001052425729 693531207 /nfs/dbraw/zinc/53/12/07/693531207.db2.gz BURIGNHIQFVJEX-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]C[C@@H](O)CC2CCCC2)C[C@@H](C)O1 ZINC001346192932 1150950253 /nfs/dbraw/zinc/95/02/53/1150950253.db2.gz YONRILBWLNVOHL-NUJGCVRESA-N 1 3 312.498 2.407 20 0 DEADHO C[C@@H](F)CC[N@@H+]1CCC[C@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001402600712 1162406529 /nfs/dbraw/zinc/40/65/29/1162406529.db2.gz BPRHUBLWDYDNNA-CABCVRRESA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H](F)CC[N@H+]1CCC[C@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001402600712 1162406532 /nfs/dbraw/zinc/40/65/32/1162406532.db2.gz BPRHUBLWDYDNNA-CABCVRRESA-N 1 3 313.461 2.190 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]CC(C)C)CC1 ZINC001402781833 1162470735 /nfs/dbraw/zinc/47/07/35/1162470735.db2.gz MTRIRJDZVZNDIM-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001402798012 1162474931 /nfs/dbraw/zinc/47/49/31/1162474931.db2.gz XGTTUXKFEPBIGR-FUHWJXTLSA-N 1 3 317.477 2.273 20 0 DEADHO CCCCN1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001379981872 1152723806 /nfs/dbraw/zinc/72/38/06/1152723806.db2.gz HHSYIRZKUPDLJM-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO Cc1cc(CNC2(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC2)cs1 ZINC001380141920 1152755996 /nfs/dbraw/zinc/75/59/96/1152755996.db2.gz ZJTOPKVKNVBCJL-OAHLLOKOSA-N 1 3 323.506 2.381 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2ccc(C)c(F)c2)CC1 ZINC001380160399 1152759840 /nfs/dbraw/zinc/75/98/40/1152759840.db2.gz SWVKETJFVDOHLA-UHFFFAOYSA-N 1 3 321.440 2.214 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1(C)CC[NH+](CC2CC2)CC1 ZINC001380324056 1152788680 /nfs/dbraw/zinc/78/86/80/1152788680.db2.gz YHKVHHGYICBCPA-HUUCEWRRSA-N 1 3 307.482 2.240 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001362324995 1152877822 /nfs/dbraw/zinc/87/78/22/1152877822.db2.gz HSDUYZZCCPBBSH-GXTWGEPZSA-N 1 3 304.438 2.030 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001362324995 1152877823 /nfs/dbraw/zinc/87/78/23/1152877823.db2.gz HSDUYZZCCPBBSH-GXTWGEPZSA-N 1 3 304.438 2.030 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1[NH2+]C/C=C\Cl ZINC001381100244 1152908141 /nfs/dbraw/zinc/90/81/41/1152908141.db2.gz GIVCSACQMZLYEU-WJDZFGBRSA-N 1 3 315.889 2.153 20 0 DEADHO CC(C)CC[NH2+]C1(C)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001381114469 1152914325 /nfs/dbraw/zinc/91/43/25/1152914325.db2.gz WTKSEDNSSHNADX-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CC2)CC1(C)C)N(C)C ZINC001381135823 1152922698 /nfs/dbraw/zinc/92/26/98/1152922698.db2.gz RDTKOLAFGHDSTJ-HZPDHXFCSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC1(C)C)N(C)C ZINC001381135823 1152922703 /nfs/dbraw/zinc/92/27/03/1152922703.db2.gz RDTKOLAFGHDSTJ-HZPDHXFCSA-N 1 3 309.498 2.199 20 0 DEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001362635926 1153020099 /nfs/dbraw/zinc/02/00/99/1153020099.db2.gz ZNNIHDTXTYFQTH-ARFHVFGLSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](NC(=O)CCC[NH+]1CCCC1)[C@H](C)NCc1cncs1 ZINC001381445674 1153065742 /nfs/dbraw/zinc/06/57/42/1153065742.db2.gz GIPCKUQZMMIRHQ-UONOGXRCSA-N 1 3 324.494 2.002 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)NCCN2CCCC(C)(C)C2)C1 ZINC001363063102 1153205125 /nfs/dbraw/zinc/20/51/25/1153205125.db2.gz DWTUWBWWBJFWRV-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](C(=O)NCCN2CCCC(C)(C)C2)C1 ZINC001363063102 1153205133 /nfs/dbraw/zinc/20/51/33/1153205133.db2.gz DWTUWBWWBJFWRV-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C1C[NH+](CC2CCCCC2)C1 ZINC001381832287 1153242690 /nfs/dbraw/zinc/24/26/90/1153242690.db2.gz WIFNGZMNDIBACQ-HNNXBMFYSA-N 1 3 309.498 2.343 20 0 DEADHO CCN1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C(C)(C)C1 ZINC001381865727 1153255445 /nfs/dbraw/zinc/25/54/45/1153255445.db2.gz GNDDXAOOSFMZAG-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCC(F)(F)F ZINC001382161501 1153382789 /nfs/dbraw/zinc/38/27/89/1153382789.db2.gz DKAIPPOUGXIUTA-OLZOCXBDSA-N 1 3 323.403 2.250 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001363516932 1153442077 /nfs/dbraw/zinc/44/20/77/1153442077.db2.gz WTNXCGITXCFTMS-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[NH+]1CCC([C@@H](C)NC(=O)Cc2nc[nH]c2C)CC1 ZINC001382553348 1153468906 /nfs/dbraw/zinc/46/89/06/1153468906.db2.gz WAXCRIZGSSHUJR-CYBMUJFWSA-N 1 3 306.454 2.277 20 0 DEADHO CC(C)N(C)CC(=O)NCc1ccc(C[NH2+]CC2CC2)cc1F ZINC001382599245 1153478881 /nfs/dbraw/zinc/47/88/81/1153478881.db2.gz NRPBXRMCAAVVDH-UHFFFAOYSA-N 1 3 321.440 2.282 20 0 DEADHO CC(C)[C@@H](C(=O)NC1CC(C[NH2+]CC2CCCC2)C1)N(C)C ZINC001402945769 1162562312 /nfs/dbraw/zinc/56/23/12/1162562312.db2.gz KNXWAJDYXCOLNM-JCYILVPMSA-N 1 3 309.498 2.247 20 0 DEADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001363846216 1153664748 /nfs/dbraw/zinc/66/47/48/1153664748.db2.gz CKPUYBFUWPKETR-IEBWSBKVSA-N 1 3 320.477 2.490 20 0 DEADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001363846216 1153664751 /nfs/dbraw/zinc/66/47/51/1153664751.db2.gz CKPUYBFUWPKETR-IEBWSBKVSA-N 1 3 320.477 2.490 20 0 DEADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12)C1CN(C(=O)OC(C)(C)C)C1 ZINC001363940857 1153733269 /nfs/dbraw/zinc/73/32/69/1153733269.db2.gz QESYYVQTVCYIJA-LQKXBSAESA-N 1 3 323.481 2.172 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001389822120 1155443523 /nfs/dbraw/zinc/44/35/23/1155443523.db2.gz UTWHWNYIJXQODG-WBVHZDCISA-N 1 3 303.450 2.280 20 0 DEADHO CC[C@H](C)C[NH2+]C[C@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001370913398 1155631283 /nfs/dbraw/zinc/63/12/83/1155631283.db2.gz STJANZYFANZHSI-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001390620612 1155816431 /nfs/dbraw/zinc/81/64/31/1155816431.db2.gz VHYHZOYGFLWMNR-WKSPHBBESA-N 1 3 310.829 2.030 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CCC(F)(F)F ZINC001390725595 1155851174 /nfs/dbraw/zinc/85/11/74/1155851174.db2.gz DBTWVWOQMVPQOQ-QWHCGFSZSA-N 1 3 323.403 2.298 20 0 DEADHO CC[C@@H](F)CN[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001371542672 1155868957 /nfs/dbraw/zinc/86/89/57/1155868957.db2.gz DWZKAUNHMJLSOW-CVEARBPZSA-N 1 3 313.461 2.191 20 0 DEADHO Cc1cccc([C@@H](C)N(C)CCNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001390815149 1155880717 /nfs/dbraw/zinc/88/07/17/1155880717.db2.gz ZFDGKAWYWBXIEW-MRXNPFEDSA-N 1 3 317.477 2.446 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1)N(C)C ZINC001391108902 1156120543 /nfs/dbraw/zinc/12/05/43/1156120543.db2.gz YCNYIALYOVWADK-GDBMZVCRSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1)N(C)C ZINC001391108902 1156120556 /nfs/dbraw/zinc/12/05/56/1156120556.db2.gz YCNYIALYOVWADK-GDBMZVCRSA-N 1 3 309.498 2.201 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](C)CCC1CCCC1 ZINC001372246328 1156324233 /nfs/dbraw/zinc/32/42/33/1156324233.db2.gz QJFWOWIJDSWKQI-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](C)CCC1CCCC1 ZINC001372246328 1156324237 /nfs/dbraw/zinc/32/42/37/1156324237.db2.gz QJFWOWIJDSWKQI-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC(C[N@H+](C)C/C=C\Cl)CC1 ZINC001391365382 1156362642 /nfs/dbraw/zinc/36/26/42/1156362642.db2.gz MXQHBGYIKWXZNT-YVMONPNESA-N 1 3 315.889 2.250 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC(C[N@@H+](C)C/C=C\Cl)CC1 ZINC001391365382 1156362646 /nfs/dbraw/zinc/36/26/46/1156362646.db2.gz MXQHBGYIKWXZNT-YVMONPNESA-N 1 3 315.889 2.250 20 0 DEADHO C[C@@H](F)CC[N@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001391365400 1156362961 /nfs/dbraw/zinc/36/29/61/1156362961.db2.gz NMSYZTQOZLEVRK-OAHLLOKOSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@@H](F)CC[N@@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001391365400 1156362965 /nfs/dbraw/zinc/36/29/65/1156362965.db2.gz NMSYZTQOZLEVRK-OAHLLOKOSA-N 1 3 313.461 2.001 20 0 DEADHO Cc1cccc(CN2CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001391501542 1156471794 /nfs/dbraw/zinc/47/17/94/1156471794.db2.gz HEWWRPJUZGGXCT-GOSISDBHSA-N 1 3 317.477 2.129 20 0 DEADHO CC[N@H+](C)CCC(=O)NCC1CN([C@H](C)c2ccccc2C)C1 ZINC001391513074 1156481558 /nfs/dbraw/zinc/48/15/58/1156481558.db2.gz XKDHLZVUNGHWDZ-MRXNPFEDSA-N 1 3 317.477 2.446 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCC1CN([C@H](C)c2ccccc2C)C1 ZINC001391513074 1156481571 /nfs/dbraw/zinc/48/15/71/1156481571.db2.gz XKDHLZVUNGHWDZ-MRXNPFEDSA-N 1 3 317.477 2.446 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001391583169 1156560929 /nfs/dbraw/zinc/56/09/29/1156560929.db2.gz BDAOONGLOLQPNU-DOTOQJQBSA-N 1 3 303.450 2.280 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@H]1CCc2ccccc21)N(C)C ZINC001372970183 1156830750 /nfs/dbraw/zinc/83/07/50/1156830750.db2.gz VEHHNGJVEAITMV-IRXDYDNUSA-N 1 3 303.450 2.062 20 0 DEADHO C[C@H]([NH2+]C/C=C\Cl)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001372994207 1156834326 /nfs/dbraw/zinc/83/43/26/1156834326.db2.gz NMIDXSMKIIBXCB-ZTFRSORNSA-N 1 3 313.873 2.050 20 0 DEADHO CC(C)[C@H](CNC(=O)CN(C)C(C)C)[NH2+]CC1CC(C)(C)C1 ZINC001392247618 1156913143 /nfs/dbraw/zinc/91/31/43/1156913143.db2.gz DPJVLCPVFUDKHR-INIZCTEOSA-N 1 3 311.514 2.493 20 0 DEADHO C[C@@H](c1ccccc1)[NH+]1CC(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001373515338 1157078082 /nfs/dbraw/zinc/07/80/82/1157078082.db2.gz VYGUFPACWVESQC-HNNXBMFYSA-N 1 3 315.461 2.280 20 0 DEADHO C[C@@H](CNCc1ccccc1F)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001392573737 1157151875 /nfs/dbraw/zinc/15/18/75/1157151875.db2.gz FGRLTWOPXHJMRT-GOEBONIOSA-N 1 3 321.440 2.294 20 0 DEADHO C[C@@H](CNCc1ccccc1F)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001392573737 1157151894 /nfs/dbraw/zinc/15/18/94/1157151894.db2.gz FGRLTWOPXHJMRT-GOEBONIOSA-N 1 3 321.440 2.294 20 0 DEADHO CC[N@H+](C)CCC(=O)N(C)[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001373688161 1157269948 /nfs/dbraw/zinc/26/99/48/1157269948.db2.gz PAWLPPXRLLLSQD-GOSISDBHSA-N 1 3 317.477 2.370 20 0 DEADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001373688161 1157269954 /nfs/dbraw/zinc/26/99/54/1157269954.db2.gz PAWLPPXRLLLSQD-GOSISDBHSA-N 1 3 317.477 2.370 20 0 DEADHO C[C@H](F)CC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001392661359 1157309995 /nfs/dbraw/zinc/30/99/95/1157309995.db2.gz WGQITTRESXRIEB-GJZGRUSLSA-N 1 3 315.477 2.436 20 0 DEADHO C[C@H](F)CC[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001392661359 1157310006 /nfs/dbraw/zinc/31/00/06/1157310006.db2.gz WGQITTRESXRIEB-GJZGRUSLSA-N 1 3 315.477 2.436 20 0 DEADHO C[C@@H](CN(C)Cc1ccc(CF)cc1)NC(=O)CC[NH+](C)C ZINC001392686559 1157336929 /nfs/dbraw/zinc/33/69/29/1157336929.db2.gz HRYNPCWSSMKLTJ-AWEZNQCLSA-N 1 3 309.429 2.044 20 0 DEADHO CC(C)C[C@@H](C)C[NH+]1CC([C@@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001403341566 1162856084 /nfs/dbraw/zinc/85/60/84/1162856084.db2.gz CKNYFCYUZARNNO-HZPDHXFCSA-N 1 3 311.514 2.445 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC2CCC2)[C@H](CC)C1 ZINC001392811641 1157430317 /nfs/dbraw/zinc/43/03/17/1157430317.db2.gz LDOMBWWHRMJTLU-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[NH2+]Cc1ccc(CNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001373932449 1157475149 /nfs/dbraw/zinc/47/51/49/1157475149.db2.gz IXANSOTWTWSLBD-QGZVFWFLSA-N 1 3 305.466 2.387 20 0 DEADHO Cc1cccc(C[NH2+][C@H](C)CCNC(=O)CN(C)C2CCC2)c1 ZINC001403401520 1162872850 /nfs/dbraw/zinc/87/28/50/1162872850.db2.gz LOTXASZMYCADIK-MRXNPFEDSA-N 1 3 317.477 2.464 20 0 DEADHO CC[C@@H](F)CN1CCC(C)(CNC(=O)CC[N@H+](C)CC)CC1 ZINC001393184511 1157733643 /nfs/dbraw/zinc/73/36/43/1157733643.db2.gz IIDOLBZQYDXMFO-OAHLLOKOSA-N 1 3 315.477 2.295 20 0 DEADHO CC[C@@H](F)CN1CCC(C)(CNC(=O)CC[N@@H+](C)CC)CC1 ZINC001393184511 1157733655 /nfs/dbraw/zinc/73/36/55/1157733655.db2.gz IIDOLBZQYDXMFO-OAHLLOKOSA-N 1 3 315.477 2.295 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCN2C)cc1 ZINC001374271008 1157789520 /nfs/dbraw/zinc/78/95/20/1157789520.db2.gz JWBMJFSKSGVINU-NVXWUHKLSA-N 1 3 303.450 2.026 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CNCc1cncs1 ZINC001374821609 1158043329 /nfs/dbraw/zinc/04/33/29/1158043329.db2.gz MWPVOCKUODMRLP-HIFRSBDPSA-N 1 3 324.494 2.000 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CNCc1cncs1 ZINC001374821609 1158043336 /nfs/dbraw/zinc/04/33/36/1158043336.db2.gz MWPVOCKUODMRLP-HIFRSBDPSA-N 1 3 324.494 2.000 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001374931746 1158098351 /nfs/dbraw/zinc/09/83/51/1158098351.db2.gz PUDBKMJQAUIOBQ-DOTOQJQBSA-N 1 3 305.466 2.176 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccccc1C ZINC001374962050 1158131925 /nfs/dbraw/zinc/13/19/25/1158131925.db2.gz COHUPOZGVVFAKH-HOTGVXAUSA-N 1 3 305.466 2.492 20 0 DEADHO C[C@H](C[N@H+](C)CC1CCCCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001375102876 1158316667 /nfs/dbraw/zinc/31/66/67/1158316667.db2.gz MICLTAPKZWSYTH-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](C[N@@H+](C)CC1CCCCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001375102876 1158316673 /nfs/dbraw/zinc/31/66/73/1158316673.db2.gz MICLTAPKZWSYTH-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)CN(C)Cc1cccc(F)c1)[NH+](C)C ZINC001375148887 1158353158 /nfs/dbraw/zinc/35/31/58/1158353158.db2.gz KBZZIHDQVFALSL-YOEHRIQHSA-N 1 3 323.456 2.348 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001394370489 1158437487 /nfs/dbraw/zinc/43/74/87/1158437487.db2.gz QZIHEELLPTWZEP-DJIMGWMZSA-N 1 3 323.525 2.493 20 0 DEADHO CN(C)C1(C(=O)N[C@@H](C[NH2+]CC2CCC2)C(C)(C)C)CCC1 ZINC001394821888 1158804811 /nfs/dbraw/zinc/80/48/11/1158804811.db2.gz MORSMEPGVJQKMK-HNNXBMFYSA-N 1 3 309.498 2.391 20 0 DEADHO CCCN(C)CC(=O)N1CCCCC[C@@H]([NH2+]C[C@H](F)CC)C1 ZINC001375653766 1158839550 /nfs/dbraw/zinc/83/95/50/1158839550.db2.gz WACYVLYOBIGDEA-HZPDHXFCSA-N 1 3 315.477 2.437 20 0 DEADHO C[N@H+](CCC(=O)N[C@@H]1CCN(CCCF)C1)C1CCCCC1 ZINC001376144829 1159167334 /nfs/dbraw/zinc/16/73/34/1159167334.db2.gz JXPZSOQBOVYJOY-OAHLLOKOSA-N 1 3 313.461 2.191 20 0 DEADHO C[N@@H+](CCC(=O)N[C@@H]1CCN(CCCF)C1)C1CCCCC1 ZINC001376144829 1159167350 /nfs/dbraw/zinc/16/73/50/1159167350.db2.gz JXPZSOQBOVYJOY-OAHLLOKOSA-N 1 3 313.461 2.191 20 0 DEADHO C[C@H](CN(C)C(=O)CN(C)CC(C)(C)C)[NH2+]CC1CC(C)C1 ZINC001403597064 1163036256 /nfs/dbraw/zinc/03/62/56/1163036256.db2.gz RUYKTROQMOCTLN-HWOWSKLDSA-N 1 3 311.514 2.447 20 0 DEADHO C[C@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]CC1CCCCC1 ZINC001403600365 1163038613 /nfs/dbraw/zinc/03/86/13/1163038613.db2.gz OJOSLYXSMFQJIY-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H](C(C)C)N(C)C ZINC001376582197 1159571071 /nfs/dbraw/zinc/57/10/71/1159571071.db2.gz RMQOUIKEAYVNQS-KRWDZBQOSA-N 1 3 305.466 2.341 20 0 DEADHO CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](C(C)C)N(C)C ZINC001376582197 1159571094 /nfs/dbraw/zinc/57/10/94/1159571094.db2.gz RMQOUIKEAYVNQS-KRWDZBQOSA-N 1 3 305.466 2.341 20 0 DEADHO CCc1ccccc1C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001376751161 1159763477 /nfs/dbraw/zinc/76/34/77/1159763477.db2.gz WHIPQODRDSTLIY-YJBOKZPZSA-N 1 3 319.493 2.430 20 0 DEADHO Cc1ccc(CC[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001376804288 1159806967 /nfs/dbraw/zinc/80/69/67/1159806967.db2.gz PVBZVNZAUPYZSF-SJLPKXTDSA-N 1 3 319.493 2.218 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001397610007 1160361348 /nfs/dbraw/zinc/36/13/48/1160361348.db2.gz DMXOKKYETJBKJA-FZNQNYSPSA-N 1 3 309.498 2.247 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2cccc(F)c2)C1)N(C)C ZINC001377469423 1160398404 /nfs/dbraw/zinc/39/84/04/1160398404.db2.gz QVXGFCDMWDUEBI-WBVHZDCISA-N 1 3 321.440 2.104 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2cccc(F)c2)C1)N(C)C ZINC001377469423 1160398410 /nfs/dbraw/zinc/39/84/10/1160398410.db2.gz QVXGFCDMWDUEBI-WBVHZDCISA-N 1 3 321.440 2.104 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCC2)[C@@H]1C)N1CCCC1 ZINC001397791532 1160506058 /nfs/dbraw/zinc/50/60/58/1160506058.db2.gz FHVVGKZUPHWSJQ-NJAFHUGGSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CCC2)[C@@H]1C)N1CCCC1 ZINC001397791532 1160506079 /nfs/dbraw/zinc/50/60/79/1160506079.db2.gz FHVVGKZUPHWSJQ-NJAFHUGGSA-N 1 3 321.509 2.486 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@@H]([NH2+]CC2CC2)c2ccccc2)C1 ZINC001377613404 1160591012 /nfs/dbraw/zinc/59/10/12/1160591012.db2.gz MOAFJWONLQZOQK-MAUKXSAKSA-N 1 3 315.461 2.185 20 0 DEADHO CC(C)CCC[N@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001377666776 1160695720 /nfs/dbraw/zinc/69/57/20/1160695720.db2.gz HWHDVJLXAMSVTC-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)CCC[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001377666776 1160695729 /nfs/dbraw/zinc/69/57/29/1160695729.db2.gz HWHDVJLXAMSVTC-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@H]([NH2+]Cc1cccc(F)c1)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001377829016 1160841367 /nfs/dbraw/zinc/84/13/67/1160841367.db2.gz RLOQNCUJNMVOOI-KGLIPLIRSA-N 1 3 321.440 2.293 20 0 DEADHO CCCN(C(=O)Cc1c[nH]cn1)C1CC[NH+](CC[C@H](C)F)CC1 ZINC001398362741 1160865562 /nfs/dbraw/zinc/86/55/62/1160865562.db2.gz BZGWNPMJTUUGFR-AWEZNQCLSA-N 1 3 324.444 2.403 20 0 DEADHO C[C@@H]1C[C@@H](NC/C=C\Cl)CN1C(=O)CCC[NH+]1CCCC1 ZINC001403768057 1163157294 /nfs/dbraw/zinc/15/72/94/1163157294.db2.gz GYOIDFYYPFJRFA-JFOCPDPESA-N 1 3 313.873 2.194 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]([NH2+]Cc2ccccc2)C2CC2)CCC1 ZINC001398418712 1160883473 /nfs/dbraw/zinc/88/34/73/1160883473.db2.gz XTLZFOVAYBDCHV-KRWDZBQOSA-N 1 3 315.461 2.155 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2F)C1)N(C)C ZINC001398615573 1161019134 /nfs/dbraw/zinc/01/91/34/1161019134.db2.gz SVTDWRIXYKRKDG-HLLBOEOZSA-N 1 3 321.440 2.211 20 0 DEADHO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1)c1ccccc1 ZINC001398631314 1161026993 /nfs/dbraw/zinc/02/69/93/1161026993.db2.gz XOMFOYBXZUHEQS-BHYGNILZSA-N 1 3 315.461 2.469 20 0 DEADHO Cc1ccc(CC[NH2+][C@H]2C[C@@H](NC(=O)CN(C)C(C)C)C2)cc1 ZINC001398664262 1161041635 /nfs/dbraw/zinc/04/16/35/1161041635.db2.gz JIQALNGAVWBLHD-HDICACEKSA-N 1 3 317.477 2.115 20 0 DEADHO Cc1ccc(CC[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001398950635 1161164557 /nfs/dbraw/zinc/16/45/57/1161164557.db2.gz PVBZVNZAUPYZSF-AEFFLSMTSA-N 1 3 319.493 2.218 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](C)CC1CCCCC1 ZINC001399658838 1161508049 /nfs/dbraw/zinc/50/80/49/1161508049.db2.gz YUUORAFOGCYPOW-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](C)CC1CCCCC1 ZINC001399658838 1161508055 /nfs/dbraw/zinc/50/80/55/1161508055.db2.gz YUUORAFOGCYPOW-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]([NH2+]CC1CC1)c1ccccc1)N(C)C ZINC001400078156 1161647654 /nfs/dbraw/zinc/64/76/54/1161647654.db2.gz DFVFQNIMBVHVPR-ROUUACIJSA-N 1 3 317.477 2.430 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001401249967 1161905313 /nfs/dbraw/zinc/90/53/13/1161905313.db2.gz CLTKCCPJVBWQMK-WBVHZDCISA-N 1 3 305.466 2.272 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCN(C)CCc1cccs1 ZINC001403784961 1163180853 /nfs/dbraw/zinc/18/08/53/1163180853.db2.gz LKTZDOACWHNLNQ-GASCZTMLSA-N 1 3 323.506 2.211 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCN(C)CCc1cccs1 ZINC001403784961 1163180863 /nfs/dbraw/zinc/18/08/63/1163180863.db2.gz LKTZDOACWHNLNQ-GASCZTMLSA-N 1 3 323.506 2.211 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC[N@H+](CC2CC2)C2CC2)c1 ZINC001404293894 1163562948 /nfs/dbraw/zinc/56/29/48/1163562948.db2.gz FFMNPXSPFSPIEJ-UHFFFAOYSA-N 1 3 315.461 2.352 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC[N@@H+](CC2CC2)C2CC2)c1 ZINC001404293894 1163562957 /nfs/dbraw/zinc/56/29/57/1163562957.db2.gz FFMNPXSPFSPIEJ-UHFFFAOYSA-N 1 3 315.461 2.352 20 0 DEADHO CC[C@@H](F)C[N@@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001404494645 1163681757 /nfs/dbraw/zinc/68/17/57/1163681757.db2.gz BGVIHTPMTCHBGC-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@@H](F)C[N@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001404494645 1163681760 /nfs/dbraw/zinc/68/17/60/1163681760.db2.gz BGVIHTPMTCHBGC-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001405732647 1164208667 /nfs/dbraw/zinc/20/86/67/1164208667.db2.gz NQKDGEQQWUEDMZ-ZBFHGGJFSA-N 1 3 309.498 2.249 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccccc1 ZINC001405896256 1164318905 /nfs/dbraw/zinc/31/89/05/1164318905.db2.gz BYORRCKSTYREQL-AEFFLSMTSA-N 1 3 317.477 2.498 20 0 DEADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1NC/C(Cl)=C\Cl ZINC001406000176 1164379606 /nfs/dbraw/zinc/37/96/06/1164379606.db2.gz QVCDYDOYZHWFRG-BQFYNABESA-N 1 3 322.280 2.084 20 0 DEADHO C[C@@H](CN[C@@H](C)c1ccccc1F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001406514571 1164649679 /nfs/dbraw/zinc/64/96/79/1164649679.db2.gz DGVKGXMSKXDFNB-KBPBESRZSA-N 1 3 321.440 2.323 20 0 DEADHO Cc1cc(CN(C)C[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)c(C)s1 ZINC001406713967 1164806202 /nfs/dbraw/zinc/80/62/02/1164806202.db2.gz YYOZJPFVHOUPKW-DOMZBBRYSA-N 1 3 323.506 2.253 20 0 DEADHO Cc1cc(CN(C)C[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)c(C)s1 ZINC001406713967 1164806207 /nfs/dbraw/zinc/80/62/07/1164806207.db2.gz YYOZJPFVHOUPKW-DOMZBBRYSA-N 1 3 323.506 2.253 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CCC1)C1CC1 ZINC001406757834 1164820089 /nfs/dbraw/zinc/82/00/89/1164820089.db2.gz JIIMBQGHAXRNFG-SJORKVTESA-N 1 3 307.482 2.144 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]CC1CC1 ZINC001407528328 1165183649 /nfs/dbraw/zinc/18/36/49/1165183649.db2.gz DFHMQDBJBXQTBZ-GOEBONIOSA-N 1 3 309.498 2.058 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]1C[N@H+](C)CCC1CC1)C1CCC1 ZINC001408332995 1165596002 /nfs/dbraw/zinc/59/60/02/1165596002.db2.gz DPNFXHGLXZYUJU-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]1C[N@@H+](C)CCC1CC1)C1CCC1 ZINC001408332995 1165596008 /nfs/dbraw/zinc/59/60/08/1165596008.db2.gz DPNFXHGLXZYUJU-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC001408350740 1165606884 /nfs/dbraw/zinc/60/68/84/1165606884.db2.gz BQGIBFBAMMUVPC-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC001408350740 1165606891 /nfs/dbraw/zinc/60/68/91/1165606891.db2.gz BQGIBFBAMMUVPC-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO Cc1cccc(C)c1CN(C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001418460595 1167675756 /nfs/dbraw/zinc/67/57/56/1167675756.db2.gz KJILZINKBGVTDZ-IAGOWNOFSA-N 1 3 317.477 2.192 20 0 DEADHO Cc1cccc(C)c1CN(C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001418460595 1167675762 /nfs/dbraw/zinc/67/57/62/1167675762.db2.gz KJILZINKBGVTDZ-IAGOWNOFSA-N 1 3 317.477 2.192 20 0 DEADHO C[C@H](c1cccc(F)c1)N(C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001418497271 1167719889 /nfs/dbraw/zinc/71/98/89/1167719889.db2.gz YKWNINPRJFQWOI-LSDHHAIUSA-N 1 3 321.440 2.277 20 0 DEADHO C[C@H](c1cccc(F)c1)N(C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001418497271 1167719895 /nfs/dbraw/zinc/71/98/95/1167719895.db2.gz YKWNINPRJFQWOI-LSDHHAIUSA-N 1 3 321.440 2.277 20 0 DEADHO CN(CC(=O)NC[C@H]1CC[N@H+](CC2CCC2)C1)CC(C)(C)C ZINC001418675129 1167878033 /nfs/dbraw/zinc/87/80/33/1167878033.db2.gz SNKVUTPUSQUTME-MRXNPFEDSA-N 1 3 309.498 2.203 20 0 DEADHO CN(CC(=O)NC[C@H]1CC[N@@H+](CC2CCC2)C1)CC(C)(C)C ZINC001418675129 1167878037 /nfs/dbraw/zinc/87/80/37/1167878037.db2.gz SNKVUTPUSQUTME-MRXNPFEDSA-N 1 3 309.498 2.203 20 0 DEADHO CCCN(C)CC(=O)N1CCCCC[C@@H]([NH2+]CC[C@H](C)F)C1 ZINC001418778187 1167957231 /nfs/dbraw/zinc/95/72/31/1167957231.db2.gz XMMJJRGOJXLZQZ-JKSUJKDBSA-N 1 3 315.477 2.437 20 0 DEADHO C[C@@H]([NH2+]C/C=C\Cl)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001418845495 1168004075 /nfs/dbraw/zinc/00/40/75/1168004075.db2.gz NMIDXSMKIIBXCB-BPELZBTASA-N 1 3 313.873 2.050 20 0 DEADHO C[NH+](C)Cc1ccc(C(=O)NCC[C@H]2CCN(CCF)C2)cc1 ZINC001418905452 1168057837 /nfs/dbraw/zinc/05/78/37/1168057837.db2.gz HRRKPHIGRBBFOS-INIZCTEOSA-N 1 3 321.440 2.160 20 0 DEADHO Cc1ccccc1[C@@H](C)N1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001419029137 1168144467 /nfs/dbraw/zinc/14/44/67/1168144467.db2.gz CQYNTWUYGGOOJC-MRXNPFEDSA-N 1 3 317.477 2.446 20 0 DEADHO CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]CC1CC(F)(F)C1 ZINC001419265335 1168358331 /nfs/dbraw/zinc/35/83/31/1168358331.db2.gz VWUWNEMVPDAMEA-UONOGXRCSA-N 1 3 319.440 2.102 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@H](C[N@H+](C)CCCF)C2)CCC1 ZINC001419350582 1168416428 /nfs/dbraw/zinc/41/64/28/1168416428.db2.gz VZWSGUJCUIGCSR-OAHLLOKOSA-N 1 3 313.461 2.001 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@H](C[N@@H+](C)CCCF)C2)CCC1 ZINC001419350582 1168416429 /nfs/dbraw/zinc/41/64/29/1168416429.db2.gz VZWSGUJCUIGCSR-OAHLLOKOSA-N 1 3 313.461 2.001 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]([NH2+]Cc2ccccc2)C1 ZINC001419364915 1168424920 /nfs/dbraw/zinc/42/49/20/1168424920.db2.gz AQKWRTUHDCYAQT-DLBZAZTESA-N 1 3 321.440 2.057 20 0 DEADHO CCCN(C)CC(=O)N1CCC2(C[NH+](CC3CCCC3)C2)CC1 ZINC001419636781 1168723820 /nfs/dbraw/zinc/72/38/20/1168723820.db2.gz RDJSSMKDGNJKOD-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO C[C@H](C[NH2+]CC1CCCCC1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001419714471 1168816237 /nfs/dbraw/zinc/81/62/37/1168816237.db2.gz GDXANZCMFUWVKL-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](C[NH2+]CC1CC2(CCC2)C1)N(C)C(=O)CN1CCCC1 ZINC001419747774 1168831247 /nfs/dbraw/zinc/83/12/47/1168831247.db2.gz OYNIBQGCDXAMBP-HNNXBMFYSA-N 1 3 307.482 2.099 20 0 DEADHO CCN(CC[NH2+][C@H]1CCc2ccccc21)C(=O)[C@H]1CCCN1C ZINC001420243627 1169273665 /nfs/dbraw/zinc/27/36/65/1169273665.db2.gz TXDYELWOOILOAK-ZWKOTPCHSA-N 1 3 315.461 2.206 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC1CC(C)(C)C1 ZINC001420284256 1169319960 /nfs/dbraw/zinc/31/99/60/1169319960.db2.gz PGYSHNUTJYZNTM-GDBMZVCRSA-N 1 3 309.498 2.390 20 0 DEADHO CN(CCNC(=O)CCC[NH+](C)C)Cc1ccc2cc[nH]c2c1 ZINC001420290507 1169325996 /nfs/dbraw/zinc/32/59/96/1169325996.db2.gz CPPADZXHQRSTJB-UHFFFAOYSA-N 1 3 316.449 2.058 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001420546588 1169767332 /nfs/dbraw/zinc/76/73/32/1169767332.db2.gz QESIUNDFOQVURU-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001420546588 1169767345 /nfs/dbraw/zinc/76/73/45/1169767345.db2.gz QESIUNDFOQVURU-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CC[N@H+](CC2CC2)C1)N1CCCCC1 ZINC001420633102 1169842635 /nfs/dbraw/zinc/84/26/35/1169842635.db2.gz AOELPJRHWUEIDI-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CC[N@@H+](CC2CC2)C1)N1CCCCC1 ZINC001420633102 1169842637 /nfs/dbraw/zinc/84/26/37/1169842637.db2.gz AOELPJRHWUEIDI-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H](C(=O)N[C@H](C[NH2+]CC1CC1)C1CC1)N1CCCCCC1 ZINC001420775591 1171143981 /nfs/dbraw/zinc/14/39/81/1171143981.db2.gz XYFGLZDGKIGFHM-WMLDXEAASA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]Cc1ccccc1F)C1CC1 ZINC001420801486 1171172240 /nfs/dbraw/zinc/17/22/40/1171172240.db2.gz UPUFTBQUBVKOGM-KRWDZBQOSA-N 1 3 321.440 2.150 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]C[C@H]2CCC(F)(F)C2)CC1)N(C)C ZINC001420994371 1171411926 /nfs/dbraw/zinc/41/19/26/1171411926.db2.gz IOXFETLHKTWHQC-STQMWFEESA-N 1 3 317.424 2.000 20 0 DEADHO C[NH+](C)CCC(=O)N1CCC[C@H]1CNCc1ccccc1Cl ZINC001421132006 1171518808 /nfs/dbraw/zinc/51/88/08/1171518808.db2.gz YTBDZLATYZXHKD-HNNXBMFYSA-N 1 3 323.868 2.372 20 0 DEADHO CC[C@@H](C(=O)NCC1(C)CC[NH+](CC2CCC2)CC1)N(C)C ZINC001421273034 1171657602 /nfs/dbraw/zinc/65/76/02/1171657602.db2.gz AXOSHNZMHRVFLQ-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](CNCc1ccccc1Cl)N(C)C(=O)CC[NH+](C)C ZINC001421930303 1172142045 /nfs/dbraw/zinc/14/20/45/1172142045.db2.gz JLZSQNQLLRNJIA-CYBMUJFWSA-N 1 3 311.857 2.228 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C[NH2+]CC1CC(C)C1)CC(C)C ZINC001422019984 1172236848 /nfs/dbraw/zinc/23/68/48/1172236848.db2.gz SWCLPIRDMJBDKH-AVVWSFFYSA-N 1 3 320.481 2.427 20 0 DEADHO CC[C@H](C(=O)N(C)CC[N@H+](C)[C@@H](C)c1ccccc1)N(C)C ZINC001422172849 1172371312 /nfs/dbraw/zinc/37/13/12/1172371312.db2.gz BAXCBCYNTBCUPH-DOTOQJQBSA-N 1 3 305.466 2.478 20 0 DEADHO CC[C@H](C(=O)N(C)CC[N@@H+](C)[C@@H](C)c1ccccc1)N(C)C ZINC001422172849 1172371323 /nfs/dbraw/zinc/37/13/23/1172371323.db2.gz BAXCBCYNTBCUPH-DOTOQJQBSA-N 1 3 305.466 2.478 20 0 DEADHO CC(C)C[C@H](C)C[N@H+](C)CCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001422201380 1172388292 /nfs/dbraw/zinc/38/82/92/1172388292.db2.gz QVMOEFBJIZVHGY-SJORKVTESA-N 1 3 311.514 2.401 20 0 DEADHO CC(C)C[C@H](C)C[N@@H+](C)CCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001422201380 1172388300 /nfs/dbraw/zinc/38/83/00/1172388300.db2.gz QVMOEFBJIZVHGY-SJORKVTESA-N 1 3 311.514 2.401 20 0 DEADHO Cc1cc(CN(C)C[C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)cs1 ZINC001422878580 1172894069 /nfs/dbraw/zinc/89/40/69/1172894069.db2.gz PMMQXZRHJOQTDJ-KGLIPLIRSA-N 1 3 323.506 2.335 20 0 DEADHO Cc1cc(CN(C)C[C@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)cs1 ZINC001422878580 1172894073 /nfs/dbraw/zinc/89/40/73/1172894073.db2.gz PMMQXZRHJOQTDJ-KGLIPLIRSA-N 1 3 323.506 2.335 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2)C1 ZINC001422922350 1172939016 /nfs/dbraw/zinc/93/90/16/1172939016.db2.gz ZRIRAEHRTZHMMB-QAQDUYKDSA-N 1 3 303.450 2.011 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCc2cccs2)C[C@H]1C ZINC001423349446 1173280064 /nfs/dbraw/zinc/28/00/64/1173280064.db2.gz IICNRYQDBOJEFA-HUUCEWRRSA-N 1 3 323.506 2.210 20 0 DEADHO Cc1cc(C[NH2+][C@@H](C)CCNC(=O)CN(C)C(C)C)cs1 ZINC001424625929 1173850673 /nfs/dbraw/zinc/85/06/73/1173850673.db2.gz UYVSAXGGLUQWCO-ZDUSSCGKSA-N 1 3 311.495 2.381 20 0 DEADHO CCCN1CCc2ccccc2[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001424719880 1173886216 /nfs/dbraw/zinc/88/62/16/1173886216.db2.gz ARMPXIOHSDTOGA-SFHVURJKSA-N 1 3 317.477 2.454 20 0 DEADHO CCCN1CCc2ccccc2[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001424719880 1173886220 /nfs/dbraw/zinc/88/62/20/1173886220.db2.gz ARMPXIOHSDTOGA-SFHVURJKSA-N 1 3 317.477 2.454 20 0 DEADHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)Cc1cccc(F)c1 ZINC001425059305 1174154401 /nfs/dbraw/zinc/15/44/01/1174154401.db2.gz RJAWPOJAIFUTAY-ZBFHGGJFSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)Cc1cccc(F)c1 ZINC001425059305 1174154409 /nfs/dbraw/zinc/15/44/09/1174154409.db2.gz RJAWPOJAIFUTAY-ZBFHGGJFSA-N 1 3 321.440 2.104 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CC1CC1)C1CC1 ZINC001425482344 1174336138 /nfs/dbraw/zinc/33/61/38/1174336138.db2.gz DQDHEWORDFSLCV-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(F)cc2)C[C@@H]1C ZINC001425896094 1174503505 /nfs/dbraw/zinc/50/35/05/1174503505.db2.gz UCJIJWWXCMGMKP-WMLDXEAASA-N 1 3 321.440 2.245 20 0 DEADHO OC1(C[NH+]2CCCCC2)CCN(C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC001434502733 1178691729 /nfs/dbraw/zinc/69/17/29/1178691729.db2.gz AKFDTFLQWWNNDF-QZTJIDSGSA-N 1 3 322.493 2.257 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@H](F)CC)C1 ZINC001436345851 1179055434 /nfs/dbraw/zinc/05/54/34/1179055434.db2.gz OARQOBOQAOLNJI-WCVJEAGWSA-N 1 3 313.461 2.093 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2C)C1)N(C)C ZINC001436395223 1179079673 /nfs/dbraw/zinc/07/96/73/1179079673.db2.gz GBMVXMSNWRCSAD-KBAYOESNSA-N 1 3 317.477 2.320 20 0 DEADHO Cc1cc(CN2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)c(C)s1 ZINC001436688732 1179190181 /nfs/dbraw/zinc/19/01/81/1179190181.db2.gz JTPRCNDKGAUGBH-MRXNPFEDSA-N 1 3 323.506 2.397 20 0 DEADHO Cc1cccc(C)c1C[NH2+][C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001437142110 1179476852 /nfs/dbraw/zinc/47/68/52/1179476852.db2.gz CJLGGNHGLNTRAO-INIZCTEOSA-N 1 3 317.477 2.382 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)NC/C=C/Cl ZINC001437173228 1179516672 /nfs/dbraw/zinc/51/66/72/1179516672.db2.gz VGRNDHURULGBDQ-RSPDNQDQSA-N 1 3 315.889 2.486 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)NC/C=C/Cl ZINC001437173228 1179516681 /nfs/dbraw/zinc/51/66/81/1179516681.db2.gz VGRNDHURULGBDQ-RSPDNQDQSA-N 1 3 315.889 2.486 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)NC/C=C\Cl ZINC001437173230 1179517380 /nfs/dbraw/zinc/51/73/80/1179517380.db2.gz VGRNDHURULGBDQ-SZNGSJQDSA-N 1 3 315.889 2.486 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)NC/C=C\Cl ZINC001437173230 1179517389 /nfs/dbraw/zinc/51/73/89/1179517389.db2.gz VGRNDHURULGBDQ-SZNGSJQDSA-N 1 3 315.889 2.486 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[N@H+](C)CCC2CCCCC2)C1 ZINC001437515596 1179832127 /nfs/dbraw/zinc/83/21/27/1179832127.db2.gz BPBLUIVYIDWWGO-INIZCTEOSA-N 1 3 309.498 2.347 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[N@@H+](C)CCC2CCCCC2)C1 ZINC001437515596 1179832130 /nfs/dbraw/zinc/83/21/30/1179832130.db2.gz BPBLUIVYIDWWGO-INIZCTEOSA-N 1 3 309.498 2.347 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCC1C[NH+](CCCC(C)C)C1 ZINC001438122033 1180205836 /nfs/dbraw/zinc/20/58/36/1180205836.db2.gz RAUKYSNILUERAO-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1cccc(C)c1 ZINC001438367838 1180373273 /nfs/dbraw/zinc/37/32/73/1180373273.db2.gz BOJUAFJSFIVWOZ-KRWDZBQOSA-N 1 3 305.466 2.320 20 0 DEADHO CN(C)C1(C(=O)N(C)CC[N@H+](C)CCC2CCCC2)CCC1 ZINC001438884131 1180840803 /nfs/dbraw/zinc/84/08/03/1180840803.db2.gz UXCJRBQNNOCKDS-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CN(C)C1(C(=O)N(C)CC[N@@H+](C)CCC2CCCC2)CCC1 ZINC001438884131 1180840805 /nfs/dbraw/zinc/84/08/05/1180840805.db2.gz UXCJRBQNNOCKDS-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@H](CN[C@@H](C)c1ccccc1F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001439142006 1180895165 /nfs/dbraw/zinc/89/51/65/1180895165.db2.gz DGVKGXMSKXDFNB-KGLIPLIRSA-N 1 3 321.440 2.323 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(C2CC2)cc1 ZINC001439286767 1180992079 /nfs/dbraw/zinc/99/20/79/1180992079.db2.gz WQMXAURFMYVCNX-HNNXBMFYSA-N 1 3 317.477 2.499 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[N@@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001439398078 1181070031 /nfs/dbraw/zinc/07/00/31/1181070031.db2.gz QMKMOVGUJVMECP-KBPBESRZSA-N 1 3 319.440 2.200 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001439398078 1181070026 /nfs/dbraw/zinc/07/00/26/1181070026.db2.gz QMKMOVGUJVMECP-KBPBESRZSA-N 1 3 319.440 2.200 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCC1 ZINC001439535005 1181130565 /nfs/dbraw/zinc/13/05/65/1181130565.db2.gz HSYXIXKQMXOLFD-HOTGVXAUSA-N 1 3 313.461 2.047 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1CC[N@H+]1CC1CCCC1 ZINC001439535005 1181130566 /nfs/dbraw/zinc/13/05/66/1181130566.db2.gz HSYXIXKQMXOLFD-HOTGVXAUSA-N 1 3 313.461 2.047 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN1[C@@H]1CCc2ccccc21 ZINC001439558056 1181143086 /nfs/dbraw/zinc/14/30/86/1181143086.db2.gz DJEZXFOKWUAYCT-FUHWJXTLSA-N 1 3 315.461 2.206 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1[C@@H]1CCc2ccccc21 ZINC001439558056 1181143090 /nfs/dbraw/zinc/14/30/90/1181143090.db2.gz DJEZXFOKWUAYCT-FUHWJXTLSA-N 1 3 315.461 2.206 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)C[C@@H]2CC[N@@H+]2CCCC2CCC2)C1 ZINC001440241501 1181398411 /nfs/dbraw/zinc/39/84/11/1181398411.db2.gz JPBSCVUFXLJAFU-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)C[C@@H]2CC[N@H+]2CCCC2CCC2)C1 ZINC001440241501 1181398420 /nfs/dbraw/zinc/39/84/20/1181398420.db2.gz JPBSCVUFXLJAFU-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001440485416 1181552117 /nfs/dbraw/zinc/55/21/17/1181552117.db2.gz UAKASUGUDJFNKR-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001440485416 1181552121 /nfs/dbraw/zinc/55/21/21/1181552121.db2.gz UAKASUGUDJFNKR-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001440611805 1181612581 /nfs/dbraw/zinc/61/25/81/1181612581.db2.gz XQUCQXHKSQWNIL-JKSUJKDBSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCC1 ZINC001440750855 1181675025 /nfs/dbraw/zinc/67/50/25/1181675025.db2.gz TTWCJXPCZFQJHH-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCC1 ZINC001440750855 1181675033 /nfs/dbraw/zinc/67/50/33/1181675033.db2.gz TTWCJXPCZFQJHH-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)CCC1CCCC1 ZINC001440937074 1181783228 /nfs/dbraw/zinc/78/32/28/1181783228.db2.gz PSFONMYJYHVHJH-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)CCC1CCCC1 ZINC001440937074 1181783233 /nfs/dbraw/zinc/78/32/33/1181783233.db2.gz PSFONMYJYHVHJH-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](CNC(=O)CC[NH+](C)C)N(C)Cc1ccc2cc[nH]c2c1 ZINC001440961892 1181801333 /nfs/dbraw/zinc/80/13/33/1181801333.db2.gz GQPHYZJLUCAOHQ-AWEZNQCLSA-N 1 3 316.449 2.056 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)Cc1ccc(CF)cc1 ZINC001441006573 1181823339 /nfs/dbraw/zinc/82/33/39/1181823339.db2.gz CNTBDXZOKPDRFL-RHSMWYFYSA-N 1 3 321.440 2.044 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)Cc1ccc(CF)cc1 ZINC001441006573 1181823343 /nfs/dbraw/zinc/82/33/43/1181823343.db2.gz CNTBDXZOKPDRFL-RHSMWYFYSA-N 1 3 321.440 2.044 20 0 DEADHO CC[C@H](C)C[N@H+](C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001441386826 1181970536 /nfs/dbraw/zinc/97/05/36/1181970536.db2.gz NJBLHFLZYOLALO-HOTGVXAUSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C)C[N@@H+](C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001441386826 1181970539 /nfs/dbraw/zinc/97/05/39/1181970539.db2.gz NJBLHFLZYOLALO-HOTGVXAUSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001441509919 1182032502 /nfs/dbraw/zinc/03/25/02/1182032502.db2.gz MQBSJEOFIPNWPA-VQHPVUNQSA-N 1 3 309.498 2.247 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)NCc1ccccc1F)[NH+](C)C ZINC001441591556 1182078831 /nfs/dbraw/zinc/07/88/31/1182078831.db2.gz HFUMXVOYCPODEP-RHSMWYFYSA-N 1 3 323.456 2.348 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC(C)C ZINC001441675515 1182124212 /nfs/dbraw/zinc/12/42/12/1182124212.db2.gz MPBJCGCIJLOZKY-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CC1CC(F)(F)C1 ZINC001441918955 1182250621 /nfs/dbraw/zinc/25/06/21/1182250621.db2.gz MRWIPMCZBBJIAK-LBPRGKRZSA-N 1 3 317.424 2.000 20 0 DEADHO C[C@@H](NCCN(C)C(=O)CC[NH+](C)C)c1ccccc1Cl ZINC001443080134 1182843228 /nfs/dbraw/zinc/84/32/28/1182843228.db2.gz PESAYGVFJOZYDX-CYBMUJFWSA-N 1 3 311.857 2.401 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001443273762 1182899457 /nfs/dbraw/zinc/89/94/57/1182899457.db2.gz RNMJJKJMBNBSGH-ZWKOTPCHSA-N 1 3 321.509 2.489 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001443273762 1182899459 /nfs/dbraw/zinc/89/94/59/1182899459.db2.gz RNMJJKJMBNBSGH-ZWKOTPCHSA-N 1 3 321.509 2.489 20 0 DEADHO CN(CC(=O)NCC1C[NH+](CCC2CCCCC2)C1)C1CCC1 ZINC001443590217 1183043716 /nfs/dbraw/zinc/04/37/16/1183043716.db2.gz VUUHEYSPOKBMDV-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]C/C=C\Cl ZINC001444810026 1183564270 /nfs/dbraw/zinc/56/42/70/1183564270.db2.gz VGIOHFZSZAQKSR-PTENIASDSA-N 1 3 313.873 2.050 20 0 DEADHO CC[N@H+](C)CCC(=O)N(C)CCN(C)[C@H](C)c1ccccc1 ZINC001445066621 1183754771 /nfs/dbraw/zinc/75/47/71/1183754771.db2.gz TYOVLGOKPFXVQK-MRXNPFEDSA-N 1 3 305.466 2.480 20 0 DEADHO CC[N@@H+](C)CCC(=O)N(C)CCN(C)[C@H](C)c1ccccc1 ZINC001445066621 1183754780 /nfs/dbraw/zinc/75/47/80/1183754780.db2.gz TYOVLGOKPFXVQK-MRXNPFEDSA-N 1 3 305.466 2.480 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccccc1 ZINC001445101625 1183773217 /nfs/dbraw/zinc/77/32/17/1183773217.db2.gz CHWPTSRXEWNNNT-ZWKOTPCHSA-N 1 3 317.477 2.403 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001445432357 1183870223 /nfs/dbraw/zinc/87/02/23/1183870223.db2.gz MDPROCNBRMUIKA-DOMZBBRYSA-N 1 3 311.857 2.275 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cc(C)cc(C)c1)N(C)C ZINC001445603142 1183929998 /nfs/dbraw/zinc/92/99/98/1183929998.db2.gz BFEIBVCPBPDLBJ-RDJZCZTQSA-N 1 3 305.466 2.238 20 0 DEADHO CC(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCCCN1C(C)C)C1CC1 ZINC001445978274 1184159881 /nfs/dbraw/zinc/15/98/81/1184159881.db2.gz JFEPRIYDSZEUGF-DLBZAZTESA-N 1 3 309.498 2.390 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NC[C@H]1CC[N@@H+]1CCC(C)(C)C ZINC001446050034 1184198852 /nfs/dbraw/zinc/19/88/52/1184198852.db2.gz CZXWNUHNOOQKBW-HUUCEWRRSA-N 1 3 315.477 2.293 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NC[C@H]1CC[N@H+]1CCC(C)(C)C ZINC001446050034 1184198857 /nfs/dbraw/zinc/19/88/57/1184198857.db2.gz CZXWNUHNOOQKBW-HUUCEWRRSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccsc2)C1 ZINC001446620873 1184454960 /nfs/dbraw/zinc/45/49/60/1184454960.db2.gz YZWYOGDDQQVGEU-KRWDZBQOSA-N 1 3 323.506 2.417 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H](C2CC[NH+](CC)CC2)C1 ZINC001446926294 1184580228 /nfs/dbraw/zinc/58/02/28/1184580228.db2.gz SVEPOGNCDMZMOQ-KRWDZBQOSA-N 1 3 309.498 2.299 20 0 DEADHO CC[C@H](F)CN1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001447437300 1184774642 /nfs/dbraw/zinc/77/46/42/1184774642.db2.gz GULOSAZEGNXLKS-RDJZCZTQSA-N 1 3 313.461 2.001 20 0 DEADHO CCCN(C)CC(=O)N1CCC2(CC1)CC[NH+](CCF)CC2 ZINC001447698123 1184845829 /nfs/dbraw/zinc/84/58/29/1184845829.db2.gz HQRMCHNPPDQRIC-UHFFFAOYSA-N 1 3 313.461 2.002 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H]2CC[N@H+](CCC)C2)C1 ZINC001447773825 1184867907 /nfs/dbraw/zinc/86/79/07/1184867907.db2.gz MOGLGDWFRKHYMI-DLBZAZTESA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H]2CC[N@@H+](CCC)C2)C1 ZINC001447773825 1184867908 /nfs/dbraw/zinc/86/79/08/1184867908.db2.gz MOGLGDWFRKHYMI-DLBZAZTESA-N 1 3 309.498 2.299 20 0 DEADHO C[NH+](C)CC1CCN(c2ncccc2CN2CCCC2)CC1 ZINC001165041987 721950879 /nfs/dbraw/zinc/95/08/79/721950879.db2.gz GFUGJNJFRFQUHD-UHFFFAOYSA-N 1 3 302.466 2.455 20 0 DEADHO CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001370521541 1149804530 /nfs/dbraw/zinc/80/45/30/1149804530.db2.gz GALPIGGYUVMUDT-YHUYYLMFSA-N 1 3 313.461 2.234 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001370547154 1149808524 /nfs/dbraw/zinc/80/85/24/1149808524.db2.gz KMUGZAKUCOXZKU-JYJNAYRXSA-N 1 3 309.498 2.246 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2C[N@H+](C)CC2CC2)C1 ZINC001089227058 782294173 /nfs/dbraw/zinc/29/41/73/782294173.db2.gz PMLAREOJLWWKKY-WBVHZDCISA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2C[N@@H+](C)CC2CC2)C1 ZINC001089227058 782294181 /nfs/dbraw/zinc/29/41/81/782294181.db2.gz PMLAREOJLWWKKY-WBVHZDCISA-N 1 3 307.482 2.051 20 0 DEADHO CN(CC(=O)N1CCC[C@H]1C[N@@H+](C)CCCF)CC(C)(C)C ZINC001408358717 1165613127 /nfs/dbraw/zinc/61/31/27/1165613127.db2.gz WZBVIOAWYLPULY-HNNXBMFYSA-N 1 3 315.477 2.247 20 0 DEADHO CC(C)(C(=O)NCC[NH2+]CC1CC(C)(C)C1)N1CCCCC1 ZINC001127322488 782656055 /nfs/dbraw/zinc/65/60/55/782656055.db2.gz QMNBUXJLHXSAQA-UHFFFAOYSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)(C(=O)NCC[NH2+]CCc1cccs1)N1CCCCC1 ZINC001127327298 782670175 /nfs/dbraw/zinc/67/01/75/782670175.db2.gz JGTSJMOZZAIYHN-UHFFFAOYSA-N 1 3 323.506 2.261 20 0 DEADHO CC(C)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001073035826 790408966 /nfs/dbraw/zinc/40/89/66/790408966.db2.gz VNQVVAMYDSBGHQ-QGZVFWFLSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001073035826 790408972 /nfs/dbraw/zinc/40/89/72/790408972.db2.gz VNQVVAMYDSBGHQ-QGZVFWFLSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C/C=C/Cl)C1)N(C)C ZINC001104690313 778024601 /nfs/dbraw/zinc/02/46/01/778024601.db2.gz DFPBSHHJIOVACA-OUONAIIESA-N 1 3 315.889 2.153 20 0 DEADHO CC(C)CC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104732464 778051435 /nfs/dbraw/zinc/05/14/35/778051435.db2.gz VWQSGAJHONNPAB-HUUCEWRRSA-N 1 3 306.454 2.073 20 0 DEADHO CN(C)CCN(C(=O)[C@H]1CC12CCCCC2)[C@@H]1CCC[NH2+]C1 ZINC001161444841 778091351 /nfs/dbraw/zinc/09/13/51/778091351.db2.gz KWOXUJDMXFIYGM-HZPDHXFCSA-N 1 3 307.482 2.099 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC=C(C)C)C1 ZINC001104809252 778191552 /nfs/dbraw/zinc/19/15/52/778191552.db2.gz CGYAYKRRJHCJNH-IAGOWNOFSA-N 1 3 309.498 2.369 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C/C=C\Cl)C1 ZINC001104812451 778193732 /nfs/dbraw/zinc/19/37/32/778193732.db2.gz PJPWGODGIOACRI-JHSOUAKNSA-N 1 3 315.889 2.155 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CC2)C1 ZINC001105067078 778322777 /nfs/dbraw/zinc/32/27/77/778322777.db2.gz LTQPWFUXAGQMSM-NXHRZFHOSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001112529815 778608505 /nfs/dbraw/zinc/60/85/05/778608505.db2.gz QHZMVTWWYZJJTM-AOIWGVFYSA-N 1 3 321.509 2.203 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCC1CC1)C2 ZINC001073462693 790671828 /nfs/dbraw/zinc/67/18/28/790671828.db2.gz XCHQLSKICRDXKA-KRWDZBQOSA-N 1 3 319.493 2.195 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCC1CC1)C2 ZINC001073462693 790671834 /nfs/dbraw/zinc/67/18/34/790671834.db2.gz XCHQLSKICRDXKA-KRWDZBQOSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@H](Cc1cnccn1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167966687 779117284 /nfs/dbraw/zinc/11/72/84/779117284.db2.gz ZIEOBNQVYGQGFH-PNFOFYCQSA-N 1 3 300.450 2.403 20 0 DEADHO C[C@H](Cc1cnccn1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167966687 779117285 /nfs/dbraw/zinc/11/72/85/779117285.db2.gz ZIEOBNQVYGQGFH-PNFOFYCQSA-N 1 3 300.450 2.403 20 0 DEADHO C[C@H]1CC([NH2+]CC(=O)N(C)C)C[C@H](C)N1Cc1ccccc1 ZINC001168006288 779273275 /nfs/dbraw/zinc/27/32/75/779273275.db2.gz MTHWKYWNIYQHPL-GJZGRUSLSA-N 1 3 303.450 2.106 20 0 DEADHO C[C@@H]1CC(NCCn2ccnn2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168007743 779280441 /nfs/dbraw/zinc/28/04/41/779280441.db2.gz UGABIZBUIOYSAF-HZPDHXFCSA-N 1 3 313.449 2.309 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CCN1C/C=C\Cl ZINC001087626317 779384472 /nfs/dbraw/zinc/38/44/72/779384472.db2.gz ULFUGLYXABAVNS-QBOOLDRTSA-N 1 3 313.873 2.192 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CCN1C/C=C\Cl ZINC001087626317 779384475 /nfs/dbraw/zinc/38/44/75/779384475.db2.gz ULFUGLYXABAVNS-QBOOLDRTSA-N 1 3 313.873 2.192 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]2C1 ZINC001088002501 779627196 /nfs/dbraw/zinc/62/71/96/779627196.db2.gz IRXVEFCREXSSMQ-SQNIBIBYSA-N 1 3 323.525 2.399 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]2C1 ZINC001088002501 779627199 /nfs/dbraw/zinc/62/71/99/779627199.db2.gz IRXVEFCREXSSMQ-SQNIBIBYSA-N 1 3 323.525 2.399 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)CC[C@@H]2C1 ZINC001088212836 779776101 /nfs/dbraw/zinc/77/61/01/779776101.db2.gz URNJJKSDWQZXOQ-FGTMMUONSA-N 1 3 319.493 2.051 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC3CC3)CC[C@@H]2C1 ZINC001088212836 779776103 /nfs/dbraw/zinc/77/61/03/779776103.db2.gz URNJJKSDWQZXOQ-FGTMMUONSA-N 1 3 319.493 2.051 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC([N@H+](C)CC2CCCC2)CC1)C1CC1 ZINC000985467014 779848138 /nfs/dbraw/zinc/84/81/38/779848138.db2.gz GEYQTJABAZXXEM-GOSISDBHSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC([N@@H+](C)CC2CCCC2)CC1)C1CC1 ZINC000985467014 779848144 /nfs/dbraw/zinc/84/81/44/779848144.db2.gz GEYQTJABAZXXEM-GOSISDBHSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)C1(C(=O)N2CCCCC[C@H]([NH2+]CC3CC3)C2)CCC1 ZINC001088326773 779958179 /nfs/dbraw/zinc/95/81/79/779958179.db2.gz XQDLWRSMEAEGCJ-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CN(CC(=O)N1CCCCC[C@H]([NH2+]CC2CC2)C1)C1CCC1 ZINC001088327431 779960253 /nfs/dbraw/zinc/96/02/53/779960253.db2.gz NCYJXRFMEBPECW-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCCC[C@H]([NH2+]CC3CC3)C2)C1 ZINC001088381736 780051073 /nfs/dbraw/zinc/05/10/73/780051073.db2.gz LIVCRRKPTLARNS-WBVHZDCISA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001076322104 781216326 /nfs/dbraw/zinc/21/63/26/781216326.db2.gz GLVPGFYKNZYVAD-FGTMMUONSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001076322104 781216329 /nfs/dbraw/zinc/21/63/29/781216329.db2.gz GLVPGFYKNZYVAD-FGTMMUONSA-N 1 3 321.509 2.440 20 0 DEADHO CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001085332278 783642317 /nfs/dbraw/zinc/64/23/17/783642317.db2.gz QXLYMVLXZPKWFU-CKEIUWERSA-N 1 3 313.461 2.236 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCC1 ZINC001085628914 783904648 /nfs/dbraw/zinc/90/46/48/783904648.db2.gz HPJMTLZQIGCAKL-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCC1 ZINC001085628914 783904651 /nfs/dbraw/zinc/90/46/51/783904651.db2.gz HPJMTLZQIGCAKL-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CCN1CC1CCC1 ZINC001085628914 783904657 /nfs/dbraw/zinc/90/46/57/783904657.db2.gz HPJMTLZQIGCAKL-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CCN1CC1CCC1 ZINC001085628914 783904661 /nfs/dbraw/zinc/90/46/61/783904661.db2.gz HPJMTLZQIGCAKL-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO CCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001085778796 784067830 /nfs/dbraw/zinc/06/78/30/784067830.db2.gz HRCGEVSGGTYOCV-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO CCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001085778796 784067831 /nfs/dbraw/zinc/06/78/31/784067831.db2.gz HRCGEVSGGTYOCV-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001085778795 784068079 /nfs/dbraw/zinc/06/80/79/784068079.db2.gz HRCGEVSGGTYOCV-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001085778795 784068086 /nfs/dbraw/zinc/06/80/86/784068086.db2.gz HRCGEVSGGTYOCV-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000967926518 784177622 /nfs/dbraw/zinc/17/76/22/784177622.db2.gz XKZLIBCPHNVXSE-SJORKVTESA-N 1 3 307.482 2.242 20 0 DEADHO CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCN1CC(C)C ZINC000968928284 784654647 /nfs/dbraw/zinc/65/46/47/784654647.db2.gz HDORGHLLOZDLJS-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCN1CC(C)C ZINC000968928284 784654650 /nfs/dbraw/zinc/65/46/50/784654650.db2.gz HDORGHLLOZDLJS-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCCN(c3ccccn3)CC1)C2 ZINC001169124542 785047809 /nfs/dbraw/zinc/04/78/09/785047809.db2.gz FBLLVYCYYQTVMJ-BJWYYQGGSA-N 1 3 300.450 2.219 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCCN(c3ccccn3)CC1)C2 ZINC001169124542 785047815 /nfs/dbraw/zinc/04/78/15/785047815.db2.gz FBLLVYCYYQTVMJ-BJWYYQGGSA-N 1 3 300.450 2.219 20 0 DEADHO CCCN1CCC[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001008505670 785224710 /nfs/dbraw/zinc/22/47/10/785224710.db2.gz BRXBQXXPIVLTDV-RHSMWYFYSA-N 1 3 313.461 2.190 20 0 DEADHO CCCN1CCC[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001008505670 785224716 /nfs/dbraw/zinc/22/47/16/785224716.db2.gz BRXBQXXPIVLTDV-RHSMWYFYSA-N 1 3 313.461 2.190 20 0 DEADHO CC(=O)N1CCC[C@H](N(Cc2ccccc2)C[C@@H](C)C[NH3+])C1 ZINC001169585469 785264820 /nfs/dbraw/zinc/26/48/20/785264820.db2.gz ICVZBIYAKPKSSC-YJBOKZPZSA-N 1 3 303.450 2.094 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001008746082 785291800 /nfs/dbraw/zinc/29/18/00/785291800.db2.gz HMDRVWQOSZFZHW-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001008746082 785291807 /nfs/dbraw/zinc/29/18/07/785291807.db2.gz HMDRVWQOSZFZHW-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)C1(C(=O)NCC[NH2+]Cc2ccc(Cl)s2)CCC1 ZINC001129350599 785442540 /nfs/dbraw/zinc/44/25/40/785442540.db2.gz CMLMTUQPRBQLIW-UHFFFAOYSA-N 1 3 315.870 2.092 20 0 DEADHO C[C@H]1CCC[C@H](CC[NH2+]CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001129364611 785542060 /nfs/dbraw/zinc/54/20/60/785542060.db2.gz YJPGBQVTGSZKBH-JKSUJKDBSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C(C)C)C2 ZINC001108830305 785557762 /nfs/dbraw/zinc/55/77/62/785557762.db2.gz IWSBZKMEALCIIY-ULQDDVLXSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001015054720 786877799 /nfs/dbraw/zinc/87/77/99/786877799.db2.gz ZGYUQWJTJAZEEM-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001015054720 786877812 /nfs/dbraw/zinc/87/78/12/786877812.db2.gz ZGYUQWJTJAZEEM-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO CC[N@H+]1CC=C(c2cnc(NCC3CN(C)C3)c(C)c2)CC1 ZINC001170253883 786889000 /nfs/dbraw/zinc/88/90/00/786889000.db2.gz SJDLUUIOCVVNGR-UHFFFAOYSA-N 1 3 300.450 2.473 20 0 DEADHO CC[N@@H+]1CC=C(c2cnc(NCC3CN(C)C3)c(C)c2)CC1 ZINC001170253883 786889007 /nfs/dbraw/zinc/88/90/07/786889007.db2.gz SJDLUUIOCVVNGR-UHFFFAOYSA-N 1 3 300.450 2.473 20 0 DEADHO CN1CC(CNc2[nH+]c(N3CCOCC3)cc3ccccc32)C1 ZINC001170253798 786889275 /nfs/dbraw/zinc/88/92/75/786889275.db2.gz RPOTVVVLPZPKGQ-UHFFFAOYSA-N 1 3 312.417 2.045 20 0 DEADHO CN(CC(=O)NCC[NH2+]CCc1ccccc1Cl)C1CCC1 ZINC001129534882 787225552 /nfs/dbraw/zinc/22/55/52/787225552.db2.gz BRWLMEJUJOYRHR-UHFFFAOYSA-N 1 3 323.868 2.073 20 0 DEADHO CC[C@@H]([NH2+]CCNC(=O)[C@H](C(C)C)N(C)C)c1ccccc1 ZINC001129950397 787262556 /nfs/dbraw/zinc/26/25/56/787262556.db2.gz SAVNSASHAAZCMM-SJORKVTESA-N 1 3 305.466 2.430 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[NH2+][C@@H](C)c1ccc(F)cc1)N(C)C ZINC001129950287 787262848 /nfs/dbraw/zinc/26/28/48/787262848.db2.gz QMDWWHYKLFMNGZ-BBRMVZONSA-N 1 3 309.429 2.179 20 0 DEADHO CCCc1ccc(C[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001129947149 787264981 /nfs/dbraw/zinc/26/49/81/787264981.db2.gz LWTQNNBLUKMPED-SFHVURJKSA-N 1 3 319.493 2.431 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CCCc1ccccc1 ZINC001130422183 787387055 /nfs/dbraw/zinc/38/70/55/787387055.db2.gz ZWRHWPNJNJHWCW-UHFFFAOYSA-N 1 3 305.466 2.055 20 0 DEADHO C[C@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)CN1Cc1ccccc1 ZINC001132269273 787997553 /nfs/dbraw/zinc/99/75/53/787997553.db2.gz ICLMDDWDYADMBE-FUHWJXTLSA-N 1 3 317.477 2.498 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC=C(C)C)C1 ZINC001133253309 788341085 /nfs/dbraw/zinc/34/10/85/788341085.db2.gz FPFXSRODKMJAKK-IRXDYDNUSA-N 1 3 309.498 2.369 20 0 DEADHO Cc1cccc(CCC[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001133419697 788409814 /nfs/dbraw/zinc/40/98/14/788409814.db2.gz UXPUEQDBASAQOG-GOSISDBHSA-N 1 3 319.493 2.220 20 0 DEADHO CC(C)c1ccccc1C[NH2+]CCNC(=O)CN1CC[C@@H](C)C1 ZINC001133846383 788638699 /nfs/dbraw/zinc/63/86/99/788638699.db2.gz ZTPVWPOFBFIWSX-MRXNPFEDSA-N 1 3 317.477 2.358 20 0 DEADHO Cc1ccc(C[NH2+]CCNC(=O)CN2CCC(C)(C)C2)cc1C ZINC001133897064 788663811 /nfs/dbraw/zinc/66/38/11/788663811.db2.gz XOIAQZFVLOZZJE-UHFFFAOYSA-N 1 3 317.477 2.241 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+][C@@H]1CCCc2ccc(F)cc21)N(C)C ZINC001133963499 788694196 /nfs/dbraw/zinc/69/41/96/788694196.db2.gz WXQHKMNSKYJHRH-SJORKVTESA-N 1 3 321.440 2.249 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+][C@H](C)c1ccc(F)c(F)c1)N(C)C ZINC001133966238 788696680 /nfs/dbraw/zinc/69/66/80/788696680.db2.gz ZCKUVLSGSRVGDB-ABAIWWIYSA-N 1 3 313.392 2.072 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+]Cc1ccccc1C(C)C)N(C)C ZINC001133966235 788696820 /nfs/dbraw/zinc/69/68/20/788696820.db2.gz ZBBFWNYRKRZCRZ-KRWDZBQOSA-N 1 3 305.466 2.356 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccnc1 ZINC001134774245 789075230 /nfs/dbraw/zinc/07/52/30/789075230.db2.gz WUIBDSJJLNWWBS-HUUCEWRRSA-N 1 3 320.481 2.185 20 0 DEADHO CCCCCCN(C)CC(=O)NCC[NH2+]CCCOC(C)C ZINC001135437829 789342592 /nfs/dbraw/zinc/34/25/92/789342592.db2.gz YCTAUSZRZKEZEE-UHFFFAOYSA-N 1 3 315.502 2.019 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+]Cc1ccc(C(F)F)cc1 ZINC001135510856 789380857 /nfs/dbraw/zinc/38/08/57/789380857.db2.gz GTTQBQLMQNKPGI-UHFFFAOYSA-N 1 3 313.392 2.172 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1c(C)noc1C ZINC001135744273 789475652 /nfs/dbraw/zinc/47/56/52/789475652.db2.gz YNWBAWYYQFABMK-QWHCGFSZSA-N 1 3 324.469 2.006 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC(F)(F)F ZINC001135747753 789476903 /nfs/dbraw/zinc/47/69/03/789476903.db2.gz UNXUHVIIPUYCBP-NEPJUHHUSA-N 1 3 311.392 2.154 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCCCF ZINC001136032245 789600803 /nfs/dbraw/zinc/60/08/03/789600803.db2.gz YANNPRKVPIAHIB-STQMWFEESA-N 1 3 312.433 2.273 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1 ZINC001136031843 789601538 /nfs/dbraw/zinc/60/15/38/789601538.db2.gz RECFQBKVNXIEND-KGLIPLIRSA-N 1 3 314.433 2.334 20 0 DEADHO CN(CC(=O)N1CC2(C1)CC[N@H+](CC1CCCC1)C2)C1CCC1 ZINC001072815681 790258037 /nfs/dbraw/zinc/25/80/37/790258037.db2.gz BZMQNKXOOIURJO-UHFFFAOYSA-N 1 3 319.493 2.195 20 0 DEADHO CN(CC(=O)N1CC2(C1)CC[N@@H+](CC1CCCC1)C2)C1CCC1 ZINC001072815681 790258040 /nfs/dbraw/zinc/25/80/40/790258040.db2.gz BZMQNKXOOIURJO-UHFFFAOYSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C)c1ccccc1 ZINC001074803781 791314948 /nfs/dbraw/zinc/31/49/48/791314948.db2.gz NLMLBLWJMUGWOC-MXSMSXNCSA-N 1 3 315.461 2.421 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCC3CCCC3)[C@@H]2C)C1 ZINC001074878148 791364105 /nfs/dbraw/zinc/36/41/05/791364105.db2.gz CJIXUZRFPWZQOI-RYRKJORJSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2)[C@@H]1C)N(C)C ZINC001074888492 791371663 /nfs/dbraw/zinc/37/16/63/791371663.db2.gz FOTQJPARCSZAJU-SZMVWBNQSA-N 1 3 317.477 2.414 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)C(C)(C)N(C)CC)C2)C1 ZINC001147819467 791630380 /nfs/dbraw/zinc/63/03/80/791630380.db2.gz FDWWIJLFYFNFLY-OAHLLOKOSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCC2(CN(C(=O)C(C)(C)N(C)CC)C2)C1 ZINC001147819467 791630389 /nfs/dbraw/zinc/63/03/89/791630389.db2.gz FDWWIJLFYFNFLY-OAHLLOKOSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001091738085 791783905 /nfs/dbraw/zinc/78/39/05/791783905.db2.gz PQUHGIFZDYVDOK-LMMKCTJWSA-N 1 3 321.509 2.153 20 0 DEADHO CC(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001091738085 791783909 /nfs/dbraw/zinc/78/39/09/791783909.db2.gz PQUHGIFZDYVDOK-LMMKCTJWSA-N 1 3 321.509 2.153 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+][C@H]1CCc2c1cccc2Cl ZINC001148639060 791786518 /nfs/dbraw/zinc/78/65/18/791786518.db2.gz ZGHVOYYUXQBCLB-INIZCTEOSA-N 1 3 323.868 2.375 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CC3CCC3)C[C@@]2(C)C1)N(C)C ZINC001091758830 791813628 /nfs/dbraw/zinc/81/36/28/791813628.db2.gz NENIVASLJBOLFO-AOIWGVFYSA-N 1 3 321.509 2.153 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC3CCC3)C[C@@]2(C)C1)N(C)C ZINC001091758830 791813630 /nfs/dbraw/zinc/81/36/30/791813630.db2.gz NENIVASLJBOLFO-AOIWGVFYSA-N 1 3 321.509 2.153 20 0 DEADHO CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@]2(C)C1 ZINC001092303056 791974193 /nfs/dbraw/zinc/97/41/93/791974193.db2.gz PLBBJQBOUGGBOH-NUJGCVRESA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@]2(C)C1 ZINC001092303056 791974199 /nfs/dbraw/zinc/97/41/99/791974199.db2.gz PLBBJQBOUGGBOH-NUJGCVRESA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CCC2)C1)N(C)C ZINC001099453922 792212367 /nfs/dbraw/zinc/21/23/67/792212367.db2.gz WYJUYAJBQUQYQC-SCTDSRPQSA-N 1 3 321.509 2.345 20 0 DEADHO CN(C)[C@H](C(=O)NCC1CC([NH2+]CCCC2CCC2)C1)C1CC1 ZINC001100407611 792634152 /nfs/dbraw/zinc/63/41/52/792634152.db2.gz CFIKJMONKWEVMP-VJFUWPCTSA-N 1 3 321.509 2.391 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1CC([NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001100426618 792643429 /nfs/dbraw/zinc/64/34/29/792643429.db2.gz RLEDSLZFAUXAKA-PREGVCBESA-N 1 3 323.525 2.493 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CC3CCCC3)[C@H](C)C2)C1 ZINC001094042182 792699214 /nfs/dbraw/zinc/69/92/14/792699214.db2.gz MXCVVVYUXOTCMY-JFIYKMOQSA-N 1 3 321.509 2.203 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC2CC([NH2+]Cc3ccsc3)C2)C1 ZINC001100678262 792783937 /nfs/dbraw/zinc/78/39/37/792783937.db2.gz FHHKDHSVKQXHCW-IUDNXUCKSA-N 1 3 321.490 2.074 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC1CC([NH2+]CCCF)C1 ZINC001100729814 792816009 /nfs/dbraw/zinc/81/60/09/792816009.db2.gz QOZPFUAAFUBKKK-GPANFISMSA-N 1 3 313.461 2.093 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1CC([NH2+]C[C@H](C)CC(C)C)C1 ZINC001100918108 792918752 /nfs/dbraw/zinc/91/87/52/792918752.db2.gz DVKPEQBDUMTDLI-IUDNXUCKSA-N 1 3 320.481 2.427 20 0 DEADHO CCCCC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101476153 793173980 /nfs/dbraw/zinc/17/39/80/793173980.db2.gz FLLKLBHZPNUIKB-AEFFLSMTSA-N 1 3 309.498 2.297 20 0 DEADHO CCCCC[N@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101476153 793173990 /nfs/dbraw/zinc/17/39/90/793173990.db2.gz FLLKLBHZPNUIKB-AEFFLSMTSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001101595770 793260252 /nfs/dbraw/zinc/26/02/52/793260252.db2.gz RSWYUMZWACNIIJ-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO O[C@@H](CF)CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172079542 793311956 /nfs/dbraw/zinc/31/19/56/793311956.db2.gz OWMZIBSFHMVADD-MHORFTMASA-N 1 3 306.425 2.492 20 0 DEADHO O[C@@H](CF)CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172079542 793311964 /nfs/dbraw/zinc/31/19/64/793311964.db2.gz OWMZIBSFHMVADD-MHORFTMASA-N 1 3 306.425 2.492 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@]1(O)CCOc3ccccc31)C2 ZINC001172112747 793334690 /nfs/dbraw/zinc/33/46/90/793334690.db2.gz ZQPUVQKPVZFTAX-YYAJDYIMSA-N 1 3 316.445 2.262 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@]1(O)CCOc3ccccc31)C2 ZINC001172112747 793334702 /nfs/dbraw/zinc/33/47/02/793334702.db2.gz ZQPUVQKPVZFTAX-YYAJDYIMSA-N 1 3 316.445 2.262 20 0 DEADHO O=C1CC[C@@H]2C[C@H]([N@@H+]3CCCC[C@@H]3CCN3CCCC3)CCN12 ZINC001172178726 793361739 /nfs/dbraw/zinc/36/17/39/793361739.db2.gz NYJKGXFWTHDAKU-KZNAEPCWSA-N 1 3 319.493 2.480 20 0 DEADHO O=C1CC[C@@H]2C[C@H]([N@H+]3CCCC[C@@H]3CCN3CCCC3)CCN12 ZINC001172178726 793361749 /nfs/dbraw/zinc/36/17/49/793361749.db2.gz NYJKGXFWTHDAKU-KZNAEPCWSA-N 1 3 319.493 2.480 20 0 DEADHO CC[N@H+]([C@H]1CCOC1)C1CCN(C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172230016 793373911 /nfs/dbraw/zinc/37/39/11/793373911.db2.gz SIILUXDKGZDBPL-OOKSDGMUSA-N 1 3 308.466 2.272 20 0 DEADHO CC[N@@H+]([C@H]1CCOC1)C1CCN(C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172230016 793373922 /nfs/dbraw/zinc/37/39/22/793373922.db2.gz SIILUXDKGZDBPL-OOKSDGMUSA-N 1 3 308.466 2.272 20 0 DEADHO COCCC[NH+]1CCC(N[C@@H]2CCc3ccccc3[C@@H]2O)CC1 ZINC001172246764 793386419 /nfs/dbraw/zinc/38/64/19/793386419.db2.gz STUBUUVKLDOCRO-MOPGFXCFSA-N 1 3 318.461 2.125 20 0 DEADHO CCCCC[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048667 793487272 /nfs/dbraw/zinc/48/72/72/793487272.db2.gz KOFXPBUXMXJJKC-OIISXLGYSA-N 1 3 309.498 2.201 20 0 DEADHO CCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048667 793487273 /nfs/dbraw/zinc/48/72/73/793487273.db2.gz KOFXPBUXMXJJKC-OIISXLGYSA-N 1 3 309.498 2.201 20 0 DEADHO CCCOC1CCC([NH2+]CCN2CCN(C(C)C)CC2)CC1 ZINC001173090598 793569133 /nfs/dbraw/zinc/56/91/33/793569133.db2.gz ZGJZNNNALYKRNJ-UHFFFAOYSA-N 1 3 311.514 2.340 20 0 DEADHO CC(C)=CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102330095 793575652 /nfs/dbraw/zinc/57/56/52/793575652.db2.gz BHZXJQBSNMZIPV-BRWVUGGUSA-N 1 3 309.498 2.223 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102330095 793575657 /nfs/dbraw/zinc/57/56/57/793575657.db2.gz BHZXJQBSNMZIPV-BRWVUGGUSA-N 1 3 309.498 2.223 20 0 DEADHO CC[NH+](CC)C1CCC(N2CC(N3C[C@@H](C)O[C@@H](C)C3)C2)CC1 ZINC001173115466 793582179 /nfs/dbraw/zinc/58/21/79/793582179.db2.gz CZCYIKCOYXAFJP-OQSMONGASA-N 1 3 323.525 2.433 20 0 DEADHO C[C@H](CN)C[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173414060 793715424 /nfs/dbraw/zinc/71/54/24/793715424.db2.gz XRGTXPPTZHPPAF-GFCCVEGCSA-N 1 3 309.841 2.129 20 0 DEADHO C[NH+]1CCN(c2cccnc2Nc2ccc3nccn3c2)CC1 ZINC001174278152 793952765 /nfs/dbraw/zinc/95/27/65/793952765.db2.gz IULYVGJBSMKVML-UHFFFAOYSA-N 1 3 308.389 2.225 20 0 DEADHO CC[C@H](C(=O)NCC[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1C)N(C)C ZINC001103140268 793953916 /nfs/dbraw/zinc/95/39/16/793953916.db2.gz VRJLHPRTPSQGAV-BRWVUGGUSA-N 1 3 309.498 2.367 20 0 DEADHO CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](CC=C(C)C)C[C@H]1C)N(C)C ZINC001103140268 793953920 /nfs/dbraw/zinc/95/39/20/793953920.db2.gz VRJLHPRTPSQGAV-BRWVUGGUSA-N 1 3 309.498 2.367 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]CCCC1CCCC1 ZINC001174682732 794039151 /nfs/dbraw/zinc/03/91/51/794039151.db2.gz LSLIVDXDDVHMQC-UHFFFAOYSA-N 1 3 306.454 2.327 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]Cc1ccc(C)c(F)c1 ZINC001174691512 794042593 /nfs/dbraw/zinc/04/25/93/794042593.db2.gz NAEVFBYCVZQIEH-UHFFFAOYSA-N 1 3 318.396 2.004 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCC[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C ZINC001103434350 794093203 /nfs/dbraw/zinc/09/32/03/794093203.db2.gz ZYTWULUIUZYWJV-JFIYKMOQSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCC[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C ZINC001103434350 794093213 /nfs/dbraw/zinc/09/32/13/794093213.db2.gz ZYTWULUIUZYWJV-JFIYKMOQSA-N 1 3 321.509 2.345 20 0 DEADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C ZINC001103663655 794181195 /nfs/dbraw/zinc/18/11/95/794181195.db2.gz MLBYSQNZZSUMAM-NVXWUHKLSA-N 1 3 309.498 2.203 20 0 DEADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C ZINC001103663655 794181201 /nfs/dbraw/zinc/18/12/01/794181201.db2.gz MLBYSQNZZSUMAM-NVXWUHKLSA-N 1 3 309.498 2.203 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](CC2CC2)C[C@H]1C ZINC001103756951 794214908 /nfs/dbraw/zinc/21/49/08/794214908.db2.gz GYZXXUVQESWDQN-KBAYOESNSA-N 1 3 321.509 2.345 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](CC2CC2)C[C@H]1C ZINC001103756951 794214914 /nfs/dbraw/zinc/21/49/14/794214914.db2.gz GYZXXUVQESWDQN-KBAYOESNSA-N 1 3 321.509 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]CCCCOC ZINC001176283905 794389605 /nfs/dbraw/zinc/38/96/05/794389605.db2.gz APXKZZIQRFPJQA-MRXNPFEDSA-N 1 3 315.502 2.019 20 0 DEADHO CN(CCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)Cc1ccccc1 ZINC000693722620 794516626 /nfs/dbraw/zinc/51/66/26/794516626.db2.gz NIYJWLINRNUYDR-FGTMMUONSA-N 1 3 301.478 2.485 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[NH2+]Cc1cc2ccccc2o1 ZINC001176981052 794547873 /nfs/dbraw/zinc/54/78/73/794547873.db2.gz ZBBIIJUEPURMKR-UHFFFAOYSA-N 1 3 317.433 2.369 20 0 DEADHO CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001112399543 794622305 /nfs/dbraw/zinc/62/23/05/794622305.db2.gz YQTMTGYKFHFRMH-SCTDSRPQSA-N 1 3 321.509 2.345 20 0 DEADHO CCC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)Cc3nc[nH]c3C)[C@@H]2C1 ZINC001115170718 794695909 /nfs/dbraw/zinc/69/59/09/794695909.db2.gz WVLCEUCLYQFFOI-JBJOMVJOSA-N 1 3 316.449 2.053 20 0 DEADHO CCC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)Cc3nc[nH]c3C)[C@@H]2C1 ZINC001115170718 794695913 /nfs/dbraw/zinc/69/59/13/794695913.db2.gz WVLCEUCLYQFFOI-JBJOMVJOSA-N 1 3 316.449 2.053 20 0 DEADHO CN(C)C1(C(=O)NCC2([NH2+]CCCF)CCCCC2)CCC1 ZINC001115571667 794825031 /nfs/dbraw/zinc/82/50/31/794825031.db2.gz JUFDIWTWXKQXFC-UHFFFAOYSA-N 1 3 313.461 2.239 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CCCC2CCC2)CCN1C(=O)[C@H]1CCCN1C ZINC001178359093 794908958 /nfs/dbraw/zinc/90/89/58/794908958.db2.gz BJWPKKXTLXPFRF-BHYGNILZSA-N 1 3 307.482 2.240 20 0 DEADHO CC[C@H](C(=O)NCCCCCC[NH2+]Cc1cnc(C)o1)N(C)C ZINC001178816250 795014264 /nfs/dbraw/zinc/01/42/64/795014264.db2.gz YTXWUXFKFADNNH-MRXNPFEDSA-N 1 3 324.469 2.089 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCC(F)(F)F)[C@@H]1C ZINC001179534398 795126510 /nfs/dbraw/zinc/12/65/10/795126510.db2.gz KIPVVRODNMIIJL-AGIUHOORSA-N 1 3 321.387 2.002 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCCC2CCC2)[C@@H]1C)N(C)C ZINC001179553957 795136879 /nfs/dbraw/zinc/13/68/79/795136879.db2.gz ICSYUFOGEUPSFI-XIRDDKMYSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@H](F)C[NH2+]CCCCCCNC(=O)CN1CC[C@@H](C)C1 ZINC001179586838 795139094 /nfs/dbraw/zinc/13/90/94/795139094.db2.gz UDHDXUUWHCAGFP-CVEARBPZSA-N 1 3 315.477 2.343 20 0 DEADHO CC[C@@H](C(=O)NCCCCCC[NH2+]CCOC(C)C)N(C)C ZINC001179609110 795143108 /nfs/dbraw/zinc/14/31/08/795143108.db2.gz ILSZPGGYZNYSNA-INIZCTEOSA-N 1 3 315.502 2.018 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C ZINC001179617502 795144229 /nfs/dbraw/zinc/14/42/29/795144229.db2.gz JAEQMVKFEDYFEG-YCPHGPKFSA-N 1 3 306.454 2.213 20 0 DEADHO CC[C@@H](F)C[NH2+]CCCCCCNC(=O)CN1CCC[C@@H]1C ZINC001179581014 795145108 /nfs/dbraw/zinc/14/51/08/795145108.db2.gz ZOULBAJVFTXZCD-JKSUJKDBSA-N 1 3 315.477 2.485 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C)c2)[C@@H]1C ZINC001179982612 795213958 /nfs/dbraw/zinc/21/39/58/795213958.db2.gz BKVRQJGYAUHTNQ-WMZOPIPTSA-N 1 3 317.477 2.416 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)[C@@H]1C ZINC001180226579 795258738 /nfs/dbraw/zinc/25/87/38/795258738.db2.gz BFGSJOMDYBNGNF-RDJZCZTQSA-N 1 3 321.509 2.486 20 0 DEADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CCN(CC2CCCCC2)CC1 ZINC001182008845 795592771 /nfs/dbraw/zinc/59/27/71/795592771.db2.gz NQWBPWRZFFSBQD-SFHVURJKSA-N 1 3 319.493 2.053 20 0 DEADHO CCCC[NH2+]C1CC2(CC(NC(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001121729035 795680532 /nfs/dbraw/zinc/68/05/32/795680532.db2.gz XBSGNTLZAKGCBG-LMBQMVEXSA-N 1 3 309.498 2.390 20 0 DEADHO CC(C)CC[NH2+]C1CC2(CC(NC(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001121772904 795686057 /nfs/dbraw/zinc/68/60/57/795686057.db2.gz KKQBFDAKPIZCHG-FIXVGMIGSA-N 1 3 321.509 2.391 20 0 DEADHO O=C(NCCc1c[nH]c2ccncc12)[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001182561515 795706723 /nfs/dbraw/zinc/70/67/23/795706723.db2.gz VGOOUZBCZYHJJF-KRWDZBQOSA-N 1 3 312.417 2.096 20 0 DEADHO O=C(NCCc1c[nH]c2ccncc12)[C@@H]1CCC[N@H+]1CC1CC1 ZINC001182561515 795706727 /nfs/dbraw/zinc/70/67/27/795706727.db2.gz VGOOUZBCZYHJJF-KRWDZBQOSA-N 1 3 312.417 2.096 20 0 DEADHO CCCCC[NH2+]C1CC2(CC(NC(=O)Cc3nc[nH]c3C)C2)C1 ZINC001122118532 795727698 /nfs/dbraw/zinc/72/76/98/795727698.db2.gz OPDXPLDYMWEZDT-UHFFFAOYSA-N 1 3 318.465 2.468 20 0 DEADHO CC[C@H](F)C[NH2+]C1CC2(CC(NC(=O)CN(C)C(C)C)C2)C1 ZINC001122249209 795739718 /nfs/dbraw/zinc/73/97/18/795739718.db2.gz PJGKMQXJIQHBHC-DPGVGJJJSA-N 1 3 313.461 2.092 20 0 DEADHO COc1cc(CN2CCC[C@@](O)(C[NH3+])CC2)ccc1SC ZINC001205255113 795806172 /nfs/dbraw/zinc/80/61/72/795806172.db2.gz HAHBZPRNTISOMP-INIZCTEOSA-N 1 3 310.463 2.093 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H](NC/C=C\Cl)C2)C1 ZINC001185091279 796180130 /nfs/dbraw/zinc/18/01/30/796180130.db2.gz SKRRZYDWZOYLIW-FEGLDZKKSA-N 1 3 313.873 2.051 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@H](NC/C=C\Cl)C2)C1 ZINC001185091279 796180133 /nfs/dbraw/zinc/18/01/33/796180133.db2.gz SKRRZYDWZOYLIW-FEGLDZKKSA-N 1 3 313.873 2.051 20 0 DEADHO C[C@H](C(=O)N1CC[C@@H](NC/C=C/Cl)C1)[NH+]1CCCCCC1 ZINC001186074875 796353176 /nfs/dbraw/zinc/35/31/76/796353176.db2.gz JSNRZXCJNROGDW-OCESRQBRSA-N 1 3 313.873 2.194 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2ccsc2)C1 ZINC001187298321 796520327 /nfs/dbraw/zinc/52/03/27/796520327.db2.gz BMWSHLATHBXMMJ-OAHLLOKOSA-N 1 3 309.479 2.171 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2ccsc2)C1 ZINC001187298321 796520330 /nfs/dbraw/zinc/52/03/30/796520330.db2.gz BMWSHLATHBXMMJ-OAHLLOKOSA-N 1 3 309.479 2.171 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@H](NC/C=C/Cl)C1)[NH+]1CCCC1 ZINC001188139611 796631908 /nfs/dbraw/zinc/63/19/08/796631908.db2.gz PWHKHCIGVCSJTI-ZWXLGZMVSA-N 1 3 313.873 2.050 20 0 DEADHO CCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001188157965 796640047 /nfs/dbraw/zinc/64/00/47/796640047.db2.gz AZDCLZXSROPPBE-GOSISDBHSA-N 1 3 317.477 2.280 20 0 DEADHO CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190675388 797056421 /nfs/dbraw/zinc/05/64/21/797056421.db2.gz LZEKTQMVUVROCK-KEGWNNHHSA-N 1 3 307.482 2.360 20 0 DEADHO CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190675388 797056428 /nfs/dbraw/zinc/05/64/28/797056428.db2.gz LZEKTQMVUVROCK-KEGWNNHHSA-N 1 3 307.482 2.360 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)CC2CC(C)C2)C1 ZINC001191030466 797127367 /nfs/dbraw/zinc/12/73/67/797127367.db2.gz SUFMAOCPARMMAE-GPANFISMSA-N 1 3 309.498 2.296 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)CC2CC(C)C2)C1 ZINC001191030466 797127368 /nfs/dbraw/zinc/12/73/68/797127368.db2.gz SUFMAOCPARMMAE-GPANFISMSA-N 1 3 309.498 2.296 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)CC2CCCC2)C1 ZINC001190997000 797128523 /nfs/dbraw/zinc/12/85/23/797128523.db2.gz PKSFKSRLNDNQOX-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)CC2CCCC2)C1 ZINC001190997000 797128526 /nfs/dbraw/zinc/12/85/26/797128526.db2.gz PKSFKSRLNDNQOX-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C)c(C)c1 ZINC001152458196 797191031 /nfs/dbraw/zinc/19/10/31/797191031.db2.gz MNZHPVXTDUWAHJ-SFHVURJKSA-N 1 3 317.477 2.384 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]CCC1=CCCCC1 ZINC001152457027 797191171 /nfs/dbraw/zinc/19/11/71/797191171.db2.gz ABUKQTSMSOBRCQ-KRWDZBQOSA-N 1 3 307.482 2.457 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCC1CC1 ZINC001153721022 797381856 /nfs/dbraw/zinc/38/18/56/797381856.db2.gz RGJYNSYZGHJWDK-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCC1CC1 ZINC001153721022 797381863 /nfs/dbraw/zinc/38/18/63/797381863.db2.gz RGJYNSYZGHJWDK-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)CCCCCF)C1 ZINC001192970567 797484152 /nfs/dbraw/zinc/48/41/52/797484152.db2.gz VPLDHBRTYJOYHI-HNNXBMFYSA-N 1 3 301.450 2.001 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)CCCCCF)C1 ZINC001192970567 797484155 /nfs/dbraw/zinc/48/41/55/797484155.db2.gz VPLDHBRTYJOYHI-HNNXBMFYSA-N 1 3 301.450 2.001 20 0 DEADHO [NH3+]Cc1cnc2c(ccn2-c2cc(Cl)nc3c2CCNC3)c1 ZINC001156600025 798038708 /nfs/dbraw/zinc/03/87/08/798038708.db2.gz HAYXZINYTSLPBS-UHFFFAOYSA-N 1 3 313.792 2.178 20 0 DEADHO CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001156617757 798044111 /nfs/dbraw/zinc/04/41/11/798044111.db2.gz QYKASRJTEVQMGW-HSBSLETESA-N 1 3 306.454 2.444 20 0 DEADHO CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001156617757 798044116 /nfs/dbraw/zinc/04/41/16/798044116.db2.gz QYKASRJTEVQMGW-HSBSLETESA-N 1 3 306.454 2.444 20 0 DEADHO CC/C=C\CC[N@@H+]1CCCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001197158914 798157487 /nfs/dbraw/zinc/15/74/87/798157487.db2.gz YITUMOFUNUXCHX-CHYADLBTSA-N 1 3 307.482 2.219 20 0 DEADHO CC/C=C\CC[N@H+]1CCCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001197158914 798157490 /nfs/dbraw/zinc/15/74/90/798157490.db2.gz YITUMOFUNUXCHX-CHYADLBTSA-N 1 3 307.482 2.219 20 0 DEADHO CC1([NH3+])CN(C(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)C1 ZINC001157643644 798247683 /nfs/dbraw/zinc/24/76/83/798247683.db2.gz FTPIIYOIBBTMRD-AWEZNQCLSA-N 1 3 321.852 2.112 20 0 DEADHO CC(C)(C)C1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001157689261 798258424 /nfs/dbraw/zinc/25/84/24/798258424.db2.gz RKUUEFBFAWFMKH-OAHLLOKOSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)(C)C1CCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001157689261 798258428 /nfs/dbraw/zinc/25/84/28/798258428.db2.gz RKUUEFBFAWFMKH-OAHLLOKOSA-N 1 3 307.482 2.145 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CC[C@H](C)F)N(C)C ZINC001158117823 798346634 /nfs/dbraw/zinc/34/66/34/798346634.db2.gz JJZDLPUORKKABA-ARFHVFGLSA-N 1 3 315.477 2.388 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC[C@H](C)F)N(C)C ZINC001158117823 798346639 /nfs/dbraw/zinc/34/66/39/798346639.db2.gz JJZDLPUORKKABA-ARFHVFGLSA-N 1 3 315.477 2.388 20 0 DEADHO CCCN[C@H](CNC(=O)CC[N@H+](C)CC)c1ccccc1OC ZINC001198953315 798418713 /nfs/dbraw/zinc/41/87/13/798418713.db2.gz NMIQCUATQXQPHH-MRXNPFEDSA-N 1 3 321.465 2.194 20 0 DEADHO CCCN[C@H](CNC(=O)CC[N@@H+](C)CC)c1ccccc1OC ZINC001198953315 798418719 /nfs/dbraw/zinc/41/87/19/798418719.db2.gz NMIQCUATQXQPHH-MRXNPFEDSA-N 1 3 321.465 2.194 20 0 DEADHO C[N@H+](CCC1CC1)C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001158533969 798423526 /nfs/dbraw/zinc/42/35/26/798423526.db2.gz OMOKLSZOCCQMBN-MRXNPFEDSA-N 1 3 304.438 2.065 20 0 DEADHO C[N@@H+](CCC1CC1)C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001158533969 798423533 /nfs/dbraw/zinc/42/35/33/798423533.db2.gz OMOKLSZOCCQMBN-MRXNPFEDSA-N 1 3 304.438 2.065 20 0 DEADHO Cc1nc(C)c(C)c(N(C2CC[NH2+]CC2)C2CCN(C)CC2)n1 ZINC001158589425 798434260 /nfs/dbraw/zinc/43/42/60/798434260.db2.gz PQVKWUZOLCFLAQ-UHFFFAOYSA-N 1 3 317.481 2.054 20 0 DEADHO CC[N@@H+]1CCCC[C@@H]1c1ccc(N[C@H](C)[C@H]2CNCCO2)nc1 ZINC001159502916 798574792 /nfs/dbraw/zinc/57/47/92/798574792.db2.gz QQQDNTOCRKJIHD-DJIMGWMZSA-N 1 3 318.465 2.417 20 0 DEADHO CC[N@H+]1CCCC[C@@H]1c1ccc(N[C@H](C)[C@H]2CNCCO2)nc1 ZINC001159502916 798574795 /nfs/dbraw/zinc/57/47/95/798574795.db2.gz QQQDNTOCRKJIHD-DJIMGWMZSA-N 1 3 318.465 2.417 20 0 DEADHO CN(C)[C@@H](C(=O)NCCC[NH2+]Cc1ccc(CF)cc1)C1CC1 ZINC001159915329 798624911 /nfs/dbraw/zinc/62/49/11/798624911.db2.gz JOPBIRVBXUOFNC-QGZVFWFLSA-N 1 3 321.440 2.092 20 0 DEADHO CC(C)C[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001160367641 798680064 /nfs/dbraw/zinc/68/00/64/798680064.db2.gz QNYMUBNWMHTMED-QGZVFWFLSA-N 1 3 307.482 2.121 20 0 DEADHO CC(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001160367641 798680066 /nfs/dbraw/zinc/68/00/66/798680066.db2.gz QNYMUBNWMHTMED-QGZVFWFLSA-N 1 3 307.482 2.121 20 0 DEADHO CC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001201053089 798711197 /nfs/dbraw/zinc/71/11/97/798711197.db2.gz KKKFKQVLYKTSKS-KEGWNNHHSA-N 1 3 307.482 2.264 20 0 DEADHO [NH3+]Cc1ccccc1CNc1cc(Cl)nc2c1CCNC2 ZINC001160907883 798760032 /nfs/dbraw/zinc/76/00/32/798760032.db2.gz DXNLSPUVJGNITD-UHFFFAOYSA-N 1 3 302.809 2.452 20 0 DEADHO CN(CC(=O)N1CCC(C2CC[NH2+]CC2)CC1)C1CCCC1 ZINC001161205156 798809978 /nfs/dbraw/zinc/80/99/78/798809978.db2.gz JDZIMFUFHGMCRL-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CCc1ccc(C)cc1 ZINC001161250678 798816899 /nfs/dbraw/zinc/81/68/99/798816899.db2.gz BSBKQLIWJGGCBZ-UHFFFAOYSA-N 1 3 319.493 2.364 20 0 DEADHO Cc1ccc(CN(C(=O)C2(N)CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161396709 798846698 /nfs/dbraw/zinc/84/66/98/798846698.db2.gz PIKAGNXBIJDFDO-WKILWMFISA-N 1 3 301.434 2.085 20 0 DEADHO CN(C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)[C@H]1CCc2ccccc21 ZINC001161543764 798880914 /nfs/dbraw/zinc/88/09/14/798880914.db2.gz SEZYABLONVMBSB-IRXDYDNUSA-N 1 3 313.445 2.007 20 0 DEADHO CN(C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)[C@H]1CCc2ccccc21 ZINC001161543764 798880920 /nfs/dbraw/zinc/88/09/20/798880920.db2.gz SEZYABLONVMBSB-IRXDYDNUSA-N 1 3 313.445 2.007 20 0 DEADHO CN1CCN(CCCNc2cc(N3CCCCC3)cc[nH+]2)CC1 ZINC001161703676 798916694 /nfs/dbraw/zinc/91/66/94/798916694.db2.gz KVQSEODYUTVJJC-UHFFFAOYSA-N 1 3 317.481 2.121 20 0 DEADHO NCc1cn(-c2ccc(CO[C@@H]3CCCC[C@H]3[NH3+])cc2)cn1 ZINC001162304782 799056110 /nfs/dbraw/zinc/05/61/10/799056110.db2.gz ZPCWASXYDWCICC-IAGOWNOFSA-N 1 3 300.406 2.118 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)C(C)(C)N(C)CC)[C@@H]2C1 ZINC001114488427 799147855 /nfs/dbraw/zinc/14/78/55/799147855.db2.gz NGQBHVJABUZALL-NPSSGITNSA-N 1 3 307.482 2.119 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)C(C)(C)N(C)CC)[C@@H]2C1 ZINC001114488427 799147857 /nfs/dbraw/zinc/14/78/57/799147857.db2.gz NGQBHVJABUZALL-NPSSGITNSA-N 1 3 307.482 2.119 20 0 DEADHO c1ccc([C@@H]2[NH2+]CC[C@H]2Nc2cc(N3CCOCC3)ccn2)cc1 ZINC001163209606 799277863 /nfs/dbraw/zinc/27/78/63/799277863.db2.gz OKPULQOAERWMNB-MJGOQNOKSA-N 1 3 324.428 2.433 20 0 DEADHO Cc1cc2cc[nH]c2c(NCC2(N(C)C)CC[NH+](C)CC2)n1 ZINC001164206943 799538553 /nfs/dbraw/zinc/53/85/53/799538553.db2.gz MAXQLIHEYALCLV-UHFFFAOYSA-N 1 3 301.438 2.309 20 0 DEADHO CN1CCC(CNc2cc3nc[nH]c3cc2F)([NH+](C)C)CC1 ZINC001164217591 799542867 /nfs/dbraw/zinc/54/28/67/799542867.db2.gz YHNUDLGNZGEGMS-UHFFFAOYSA-N 1 3 305.401 2.140 20 0 DEADHO CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN1CC(C)C)C2 ZINC001095668919 799687731 /nfs/dbraw/zinc/68/77/31/799687731.db2.gz XTFAHMONUWADMQ-QZWWFDLISA-N 1 3 307.482 2.238 20 0 DEADHO CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN1CC(C)C)C2 ZINC001095668919 799687733 /nfs/dbraw/zinc/68/77/33/799687733.db2.gz XTFAHMONUWADMQ-QZWWFDLISA-N 1 3 307.482 2.238 20 0 DEADHO C[C@@H](F)CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001095684525 799694595 /nfs/dbraw/zinc/69/45/95/799694595.db2.gz JINIMVVQAXKXQX-WCVJEAGWSA-N 1 3 323.456 2.084 20 0 DEADHO CC(C)[C@H](C(=O)NCCC[NH2+]CCc1ccccc1F)N(C)C ZINC001166009882 799812438 /nfs/dbraw/zinc/81/24/38/799812438.db2.gz ASRZXSZDQLFADO-QGZVFWFLSA-N 1 3 323.456 2.050 20 0 DEADHO CC(C)[C@H](C(=O)NCCC[NH2+][C@@H](C)c1ccccc1)N(C)C ZINC001166010663 799812547 /nfs/dbraw/zinc/81/25/47/799812547.db2.gz RLPDRVXKHPDKRR-DOTOQJQBSA-N 1 3 305.466 2.430 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C)cc1C ZINC001166010221 799812832 /nfs/dbraw/zinc/81/28/32/799812832.db2.gz LRRUAADQBGAPOY-GOSISDBHSA-N 1 3 319.493 2.486 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(C)C)N(CC)CC ZINC001111018220 799833005 /nfs/dbraw/zinc/83/30/05/799833005.db2.gz NGUORNZLQSAKMZ-VQHPVUNQSA-N 1 3 309.498 2.484 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(C)C)N(CC)CC ZINC001111018220 799833013 /nfs/dbraw/zinc/83/30/13/799833013.db2.gz NGUORNZLQSAKMZ-VQHPVUNQSA-N 1 3 309.498 2.484 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CCCc1ccccc1 ZINC001166645011 799909199 /nfs/dbraw/zinc/90/91/99/799909199.db2.gz LODNSZCGBYSYDN-QGZVFWFLSA-N 1 3 317.477 2.199 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166668185 799915261 /nfs/dbraw/zinc/91/52/61/799915261.db2.gz UMPHTASFPUBCAE-RDJZCZTQSA-N 1 3 317.477 2.494 20 0 DEADHO Cc1ccc(F)c(C[NH2+]CCCNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001166677150 799918012 /nfs/dbraw/zinc/91/80/12/799918012.db2.gz FYKQDOOGUDQIBH-OAHLLOKOSA-N 1 3 321.440 2.072 20 0 DEADHO CC(C)N1CCN(CCC[NH+]2CCC(O)(C3CCC3)CC2)CC1 ZINC000932817635 799943390 /nfs/dbraw/zinc/94/33/90/799943390.db2.gz IQAFCVVYCADQMS-UHFFFAOYSA-N 1 3 323.525 2.030 20 0 DEADHO Cc1nc(N2CCCC2)cc(N2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC001166900344 799974668 /nfs/dbraw/zinc/97/46/68/799974668.db2.gz KQRBMEKDFDRWFV-MRXNPFEDSA-N 1 3 315.465 2.354 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000933269705 800056699 /nfs/dbraw/zinc/05/66/99/800056699.db2.gz SRJDVNQIXONWDN-QGZVFWFLSA-N 1 3 307.482 2.336 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000933269705 800056706 /nfs/dbraw/zinc/05/67/06/800056706.db2.gz SRJDVNQIXONWDN-QGZVFWFLSA-N 1 3 307.482 2.336 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC=C(C)C)C12CCC2 ZINC001203650338 800099822 /nfs/dbraw/zinc/09/98/22/800099822.db2.gz GSQRGAKFKRTEIF-HOTGVXAUSA-N 1 3 307.482 2.311 20 0 DEADHO C[N@@H+]1C[C@@H]2CN(C[C@H]3CCN(C(=O)OC(C)(C)C)C3)C[C@]2(C)C1 ZINC000933732541 800173946 /nfs/dbraw/zinc/17/39/46/800173946.db2.gz REPKLRLFZCCOMH-RKVPGOIHSA-N 1 3 323.481 2.127 20 0 DEADHO C[N@H+]1C[C@@H]2CN(C[C@H]3CCN(C(=O)OC(C)(C)C)C3)C[C@]2(C)C1 ZINC000933732541 800173949 /nfs/dbraw/zinc/17/39/49/800173949.db2.gz REPKLRLFZCCOMH-RKVPGOIHSA-N 1 3 323.481 2.127 20 0 DEADHO C[N@@H+]1C[C@@H]2CN(C[C@@H]3CCCN(C(=O)C(C)(C)C)C3)C[C@]2(C)C1 ZINC000933734453 800175244 /nfs/dbraw/zinc/17/52/44/800175244.db2.gz SVCXAPFEJSATPT-FCEWJHQRSA-N 1 3 321.509 2.155 20 0 DEADHO C[N@H+]1C[C@@H]2CN(C[C@@H]3CCCN(C(=O)C(C)(C)C)C3)C[C@]2(C)C1 ZINC000933734453 800175248 /nfs/dbraw/zinc/17/52/48/800175248.db2.gz SVCXAPFEJSATPT-FCEWJHQRSA-N 1 3 321.509 2.155 20 0 DEADHO CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001204793871 800257831 /nfs/dbraw/zinc/25/78/31/800257831.db2.gz PSWSLFPOXJVNHN-LAQIPUCWSA-N 1 3 307.482 2.265 20 0 DEADHO CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001204793872 800258056 /nfs/dbraw/zinc/25/80/56/800258056.db2.gz PSWSLFPOXJVNHN-VGOKWCNXSA-N 1 3 307.482 2.265 20 0 DEADHO CCOc1ccc(CN2CCC[C@](O)(C[NH3+])CC2)cc1Cl ZINC001205220032 800320866 /nfs/dbraw/zinc/32/08/66/800320866.db2.gz IUCYLXPFXYUVNR-MRXNPFEDSA-N 1 3 312.841 2.414 20 0 DEADHO CC(C)Oc1ccc(CN2CCC[C@](O)(C[NH3+])CC2)c(F)c1 ZINC001205248364 800329723 /nfs/dbraw/zinc/32/97/23/800329723.db2.gz ONTQVAWSGFYYRJ-QGZVFWFLSA-N 1 3 310.413 2.289 20 0 DEADHO C[C@H]1CCN(Cc2cnnn2Cc2ccccc2)CC[C@@H]1C[NH3+] ZINC001205638548 800391092 /nfs/dbraw/zinc/39/10/92/800391092.db2.gz PDAJWFDNXKOKNI-DOTOQJQBSA-N 1 3 313.449 2.133 20 0 DEADHO C[C@@H]1CC[C@@H](CN)[N@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC001205807032 800424028 /nfs/dbraw/zinc/42/40/28/800424028.db2.gz XJJCWDXNWUTGSM-APWZRJJASA-N 1 3 317.477 2.078 20 0 DEADHO C[C@@H]1CC[C@@H](CN)[N@@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC001205807032 800424035 /nfs/dbraw/zinc/42/40/35/800424035.db2.gz XJJCWDXNWUTGSM-APWZRJJASA-N 1 3 317.477 2.078 20 0 DEADHO N[C@H]1CC[N@H+](Cc2ccc(C(=O)N3CCCC3)cc2)CC[C@H]1F ZINC001206165601 800482752 /nfs/dbraw/zinc/48/27/52/800482752.db2.gz ORKOJVOZZQNPGU-SJORKVTESA-N 1 3 319.424 2.184 20 0 DEADHO N[C@H]1CC[N@@H+](Cc2ccc(C(=O)N3CCCC3)cc2)CC[C@H]1F ZINC001206165601 800482754 /nfs/dbraw/zinc/48/27/54/800482754.db2.gz ORKOJVOZZQNPGU-SJORKVTESA-N 1 3 319.424 2.184 20 0 DEADHO CCOC(=O)c1ccc(CCC[N@@H+]2CCNC[C@H](C)C2)cc1 ZINC001206269259 800499515 /nfs/dbraw/zinc/49/95/15/800499515.db2.gz IVZNMBSAWKGACH-HNNXBMFYSA-N 1 3 304.434 2.337 20 0 DEADHO CCOC(=O)c1ccc(CCC[N@H+]2CCNC[C@H](C)C2)cc1 ZINC001206269259 800499516 /nfs/dbraw/zinc/49/95/16/800499516.db2.gz IVZNMBSAWKGACH-HNNXBMFYSA-N 1 3 304.434 2.337 20 0 DEADHO CC(C)CC[NH2+]CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001206275139 800499807 /nfs/dbraw/zinc/49/98/07/800499807.db2.gz OFJVIRXUEFQLOO-INIZCTEOSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)CCC[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001206404383 800525977 /nfs/dbraw/zinc/52/59/77/800525977.db2.gz ZZUIHGMNKKMHKL-UHFFFAOYSA-N 1 3 306.454 2.217 20 0 DEADHO CCOC(=O)[C@H]1CN(CC2CC[NH+](CC)CC2)CCC1(F)F ZINC001206846615 800604919 /nfs/dbraw/zinc/60/49/19/800604919.db2.gz KGKIFIHJIJJGJY-CQSZACIVSA-N 1 3 318.408 2.239 20 0 DEADHO CCCN(C)CC(=O)N1CCC(C[NH2+]Cc2ccsc2)CC1 ZINC001206890195 800618635 /nfs/dbraw/zinc/61/86/35/800618635.db2.gz FHVKPEIBXRDUTO-UHFFFAOYSA-N 1 3 323.506 2.418 20 0 DEADHO c1ccc(C[NH+]2CCC(CN3CCC4(C3)OCCO4)CC2)cc1 ZINC001207291495 800724908 /nfs/dbraw/zinc/72/49/08/800724908.db2.gz PXBRRYYOKIBOFD-UHFFFAOYSA-N 1 3 316.445 2.347 20 0 DEADHO CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCCN2CC1CC[NH2+]CC1 ZINC001207435731 800751425 /nfs/dbraw/zinc/75/14/25/800751425.db2.gz KXWHIDSLHWYZBR-HUUCEWRRSA-N 1 3 309.454 2.070 20 0 DEADHO CN1CC[NH+](C2CCN(CCCc3ccccc3F)CC2)CC1 ZINC001207492843 800767650 /nfs/dbraw/zinc/76/76/50/800767650.db2.gz DLIIPSJJAKSMRJ-UHFFFAOYSA-N 1 3 319.468 2.470 20 0 DEADHO c1cnn(CCCN2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001208077690 800908391 /nfs/dbraw/zinc/90/83/91/800908391.db2.gz AIPZAXQDELZIMY-OALUTQOASA-N 1 3 310.445 2.337 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]CCCCCF)C2)CCC1 ZINC001208331199 800956822 /nfs/dbraw/zinc/95/68/22/800956822.db2.gz NKOIQBZPDAZNFA-OAHLLOKOSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001208334356 800958036 /nfs/dbraw/zinc/95/80/36/800958036.db2.gz IQVRULYLYNXWHE-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CC[NH+]1CCC(CN2CCN(c3cccc(O)c3)CC2)CC1 ZINC001208601228 801024776 /nfs/dbraw/zinc/02/47/76/801024776.db2.gz KRGQKLWCVCINCN-UHFFFAOYSA-N 1 3 303.450 2.246 20 0 DEADHO C[NH+]1CCC2(CN(CCOCCOCc3ccccc3)C2)CC1 ZINC001208750851 801063136 /nfs/dbraw/zinc/06/31/36/801063136.db2.gz SJKFEMGYWDDCEF-UHFFFAOYSA-N 1 3 318.461 2.247 20 0 DEADHO CC(C)Oc1ncccc1CC[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC001208800786 801071495 /nfs/dbraw/zinc/07/14/95/801071495.db2.gz XQBQRVGUNVJVSE-SFHVURJKSA-N 1 3 303.450 2.439 20 0 DEADHO CC(C)Oc1ncccc1CC[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC001208800786 801071501 /nfs/dbraw/zinc/07/15/01/801071501.db2.gz XQBQRVGUNVJVSE-SFHVURJKSA-N 1 3 303.450 2.439 20 0 DEADHO CC(=O)N[C@H]1CCC[N@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208948595 801101036 /nfs/dbraw/zinc/10/10/36/801101036.db2.gz HBLWHNASRKKQMX-MOPGFXCFSA-N 1 3 315.461 2.109 20 0 DEADHO CC(=O)N[C@H]1CCC[N@@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208948595 801101039 /nfs/dbraw/zinc/10/10/39/801101039.db2.gz HBLWHNASRKKQMX-MOPGFXCFSA-N 1 3 315.461 2.109 20 0 DEADHO c1cc(CN2CCCN(CCC[NH+]3CCCCC3)CC2)ccn1 ZINC001209447719 801193083 /nfs/dbraw/zinc/19/30/83/801193083.db2.gz DUHPKMCIDHZEAR-UHFFFAOYSA-N 1 3 316.493 2.465 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCCCCF)C1)N(C)C ZINC001209670325 801250457 /nfs/dbraw/zinc/25/04/57/801250457.db2.gz YRWXCGKPDZYJQD-CABCVRRESA-N 1 3 301.450 2.047 20 0 DEADHO CCN(CC)CC(=O)NC1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001229678960 801303551 /nfs/dbraw/zinc/30/35/51/801303551.db2.gz PHCSIRXAIKGOMX-IXDOHACOSA-N 1 3 321.509 2.345 20 0 DEADHO O[C@H]1CNCC[N@H+](Cc2ccccc2CCc2ccccc2)C1 ZINC001210476264 801408246 /nfs/dbraw/zinc/40/82/46/801408246.db2.gz TXPCJMARBPNUDH-FQEVSTJZSA-N 1 3 310.441 2.238 20 0 DEADHO O[C@H]1CNCC[N@@H+](Cc2ccccc2CCc2ccccc2)C1 ZINC001210476264 801408255 /nfs/dbraw/zinc/40/82/55/801408255.db2.gz TXPCJMARBPNUDH-FQEVSTJZSA-N 1 3 310.441 2.238 20 0 DEADHO O[C@@H]1CNCC[N@H+](Cc2ccccc2CCc2ccccc2)C1 ZINC001210476265 801408813 /nfs/dbraw/zinc/40/88/13/801408813.db2.gz TXPCJMARBPNUDH-HXUWFJFHSA-N 1 3 310.441 2.238 20 0 DEADHO O[C@@H]1CNCC[N@@H+](Cc2ccccc2CCc2ccccc2)C1 ZINC001210476265 801408816 /nfs/dbraw/zinc/40/88/16/801408816.db2.gz TXPCJMARBPNUDH-HXUWFJFHSA-N 1 3 310.441 2.238 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CCF)CC1 ZINC001230617640 801438352 /nfs/dbraw/zinc/43/83/52/801438352.db2.gz DWUCKYDJINVYJZ-MRXNPFEDSA-N 1 3 313.461 2.001 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@H]2CCC[N@H+]2CCF)CC1 ZINC001230617640 801438354 /nfs/dbraw/zinc/43/83/54/801438354.db2.gz DWUCKYDJINVYJZ-MRXNPFEDSA-N 1 3 313.461 2.001 20 0 DEADHO CCC[N@H+](CCCNC(=O)CN(CC)CC)Cc1cccnc1 ZINC001230871990 801517210 /nfs/dbraw/zinc/51/72/10/801517210.db2.gz XEBXNBADGVASOD-UHFFFAOYSA-N 1 3 320.481 2.142 20 0 DEADHO CCC[N@@H+](CCCNC(=O)CN(CC)CC)Cc1cccnc1 ZINC001230871990 801517215 /nfs/dbraw/zinc/51/72/15/801517215.db2.gz XEBXNBADGVASOD-UHFFFAOYSA-N 1 3 320.481 2.142 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCC(C)C)C1 ZINC001211256529 801537794 /nfs/dbraw/zinc/53/77/94/801537794.db2.gz IBRGHZDSFLIKEX-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001211267995 801541072 /nfs/dbraw/zinc/54/10/72/801541072.db2.gz FVIOXTKOAVVTBD-QGZVFWFLSA-N 1 3 321.440 2.247 20 0 DEADHO CC(C)CCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847878 801766027 /nfs/dbraw/zinc/76/60/27/801766027.db2.gz WICUWAMYPRROJD-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001214855564 801767370 /nfs/dbraw/zinc/76/73/70/801767370.db2.gz GSPSEJWNUROGCB-OIISXLGYSA-N 1 3 309.498 2.199 20 0 DEADHO Cc1ccc(F)c(CN[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)c1 ZINC001215461281 801863835 /nfs/dbraw/zinc/86/38/35/801863835.db2.gz ZEBALIFRQSQDTN-RHSMWYFYSA-N 1 3 321.440 2.022 20 0 DEADHO CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001215474357 801864742 /nfs/dbraw/zinc/86/47/42/801864742.db2.gz NSQBNYYUOGZUQA-DJIMGWMZSA-N 1 3 311.514 2.445 20 0 DEADHO C[NH+]1CCC(C2CCN(Cc3[nH]nc4c3CCC4)CC2)CC1 ZINC001232427589 801877661 /nfs/dbraw/zinc/87/76/61/801877661.db2.gz YDUSWUVFVCSKFY-UHFFFAOYSA-N 1 3 302.466 2.452 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001216001428 801925796 /nfs/dbraw/zinc/92/57/96/801925796.db2.gz AXLBTOWVFJOXQA-GDBMZVCRSA-N 1 3 309.498 2.201 20 0 DEADHO CN(C)c1ccncc1NC(=O)[C@H]1C[NH2+]C[C@H](c2ccccc2)C1 ZINC001218562883 802205084 /nfs/dbraw/zinc/20/50/84/802205084.db2.gz FNUQTERRAWOGHJ-HZPDHXFCSA-N 1 3 324.428 2.479 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccc2ncn(C)c2c1 ZINC001218885992 802253953 /nfs/dbraw/zinc/25/39/53/802253953.db2.gz PFJKLYWRSIYDSU-AWEZNQCLSA-N 1 3 317.437 2.007 20 0 DEADHO COc1ccc(-c2ccccc2NC(=O)[C@@H](N)CCC[NH3+])cc1 ZINC001218953748 802263473 /nfs/dbraw/zinc/26/34/73/802263473.db2.gz SLNYRAOVBCLEDW-INIZCTEOSA-N 1 3 313.401 2.367 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cc(F)cc2cccnc21 ZINC001218968008 802266653 /nfs/dbraw/zinc/26/66/53/802266653.db2.gz GPKKQMOWCWQARB-AWEZNQCLSA-N 1 3 318.396 2.372 20 0 DEADHO O=C(Nc1ccc2cc(F)ccc2c1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218982201 802269453 /nfs/dbraw/zinc/26/94/53/802269453.db2.gz OINSBQXYAGHJJH-RDTXWAMCSA-N 1 3 313.376 2.117 20 0 DEADHO Cc1nc2cc(NC(=O)[C@H](N)C3CC[NH2+]CC3)c(C)cc2s1 ZINC001219105360 802282393 /nfs/dbraw/zinc/28/23/93/802282393.db2.gz GXCYAJRYBQHEDY-OAHLLOKOSA-N 1 3 318.446 2.179 20 0 DEADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC001219347881 802316229 /nfs/dbraw/zinc/31/62/29/802316229.db2.gz UAAQMEHXDBFUSK-KRWDZBQOSA-N 1 3 301.365 2.183 20 0 DEADHO CC/C=C\CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001234403837 802370951 /nfs/dbraw/zinc/37/09/51/802370951.db2.gz ZTSSMVQQCLTTQN-SKACODALSA-N 1 3 307.482 2.216 20 0 DEADHO CC/C=C\CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001234403837 802370958 /nfs/dbraw/zinc/37/09/58/802370958.db2.gz ZTSSMVQQCLTTQN-SKACODALSA-N 1 3 307.482 2.216 20 0 DEADHO O=C(N[C@H]1CCC[C@]2(CC[NH2+]C2)C1)c1csc2c1CCNC2 ZINC001220167008 802418669 /nfs/dbraw/zinc/41/86/69/802418669.db2.gz JJGXLLIMPRYNKY-SJCJKPOMSA-N 1 3 319.474 2.046 20 0 DEADHO O=C(N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)c1csc2c1CCNC2 ZINC001220167009 802418917 /nfs/dbraw/zinc/41/89/17/802418917.db2.gz JJGXLLIMPRYNKY-SJKOYZFVSA-N 1 3 319.474 2.046 20 0 DEADHO N[C@@H](C(=O)N[C@@H](c1ccccc1)C1CCCC1)C1CC[NH2+]CC1 ZINC001220441091 802460804 /nfs/dbraw/zinc/46/08/04/802460804.db2.gz RBDDVMHRCGCWGN-MSOLQXFVSA-N 1 3 315.461 2.361 20 0 DEADHO Cc1cc(C)cc([C@@H](C)NC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)c1 ZINC001220557659 802473758 /nfs/dbraw/zinc/47/37/58/802473758.db2.gz RPCJJMZXRWCGOA-NVXWUHKLSA-N 1 3 315.461 2.355 20 0 DEADHO Cc1cc(C)cc([C@@H](C)NC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)c1 ZINC001220557659 802473762 /nfs/dbraw/zinc/47/37/62/802473762.db2.gz RPCJJMZXRWCGOA-NVXWUHKLSA-N 1 3 315.461 2.355 20 0 DEADHO [NH3+][C@@]12CC[C@@](NC(=O)c3csc([C@@H]4CCCN4)n3)(C1)CCC2 ZINC001220780566 802497830 /nfs/dbraw/zinc/49/78/30/802497830.db2.gz HJPBPSDYKXICFT-KNXALSJPSA-N 1 3 320.462 2.102 20 0 DEADHO N[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CCCCC1 ZINC001220918677 802512487 /nfs/dbraw/zinc/51/24/87/802512487.db2.gz BGVKVBYCGJKFIU-WBVHZDCISA-N 1 3 307.482 2.417 20 0 DEADHO N[C@H](C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CCCCC1 ZINC001220918677 802512492 /nfs/dbraw/zinc/51/24/92/802512492.db2.gz BGVKVBYCGJKFIU-WBVHZDCISA-N 1 3 307.482 2.417 20 0 DEADHO CCOc1ccc([C@@H](C)NC(=O)[C@@H](N)CCCC[NH+](C)C)cc1 ZINC001221084830 802527181 /nfs/dbraw/zinc/52/71/81/802527181.db2.gz USDCZBWVQAPEKA-PBHICJAKSA-N 1 3 321.465 2.322 20 0 DEADHO CC(C)Cc1ccc([C@H](C)NC(=O)[C@@H](N)CSCC[NH3+])cc1 ZINC001221295362 802550711 /nfs/dbraw/zinc/55/07/11/802550711.db2.gz GZXFSKPKAXBFRC-BBRMVZONSA-N 1 3 323.506 2.082 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC3CCC3)C[C@H]21 ZINC001221657296 802601393 /nfs/dbraw/zinc/60/13/93/802601393.db2.gz QQUJWAFMQXGNHV-HZPDHXFCSA-N 1 3 307.482 2.050 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC3CCC3)C[C@H]21 ZINC001221657296 802601397 /nfs/dbraw/zinc/60/13/97/802601397.db2.gz QQUJWAFMQXGNHV-HZPDHXFCSA-N 1 3 307.482 2.050 20 0 DEADHO CCOC(=O)[C@@]12C[N@H+](C[C@H]3CC=CCC3)C[C@@H]1CNCCC2 ZINC001222125562 802647365 /nfs/dbraw/zinc/64/73/65/802647365.db2.gz PKQKNCXTCDZUMJ-BQFCYCMXSA-N 1 3 306.450 2.207 20 0 DEADHO CCOC(=O)[C@@]12C[N@@H+](C[C@H]3CC=CCC3)C[C@@H]1CNCCC2 ZINC001222125562 802647367 /nfs/dbraw/zinc/64/73/67/802647367.db2.gz PKQKNCXTCDZUMJ-BQFCYCMXSA-N 1 3 306.450 2.207 20 0 DEADHO CC(C)=CCC[C@@H](C)CCN1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001222514763 802699975 /nfs/dbraw/zinc/69/99/75/802699975.db2.gz DOTDWFPTTLKELR-MRXNPFEDSA-N 1 3 307.482 2.313 20 0 DEADHO CC[C@H](C)C[NH+]1CCC(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001223458185 802792173 /nfs/dbraw/zinc/79/21/73/802792173.db2.gz ZRJMEGJVBCCZBC-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO CC1CC(C[NH+]2CCC(CNC(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001223472750 802792757 /nfs/dbraw/zinc/79/27/57/802792757.db2.gz UVQZVQULSZLHSP-UHFFFAOYSA-N 1 3 321.509 2.345 20 0 DEADHO CCCCC[NH+]1CCC(CNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001223472984 802793135 /nfs/dbraw/zinc/79/31/35/802793135.db2.gz ZJILWYQSKHVPRZ-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)NCC1CC[NH+](CCC(F)(F)F)CC1 ZINC001225252986 802947709 /nfs/dbraw/zinc/94/77/09/802947709.db2.gz XUMUXBGAZRJFDZ-UHFFFAOYSA-N 1 3 323.403 2.109 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C/C=C\Cl)CCC1 ZINC001226765533 803155711 /nfs/dbraw/zinc/15/57/11/803155711.db2.gz DIUUSCNEJBMSGO-FLFDDASRSA-N 1 3 313.873 2.240 20 0 DEADHO CC[C@H](F)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N(C)CC ZINC001227150426 803208646 /nfs/dbraw/zinc/20/86/46/803208646.db2.gz RIGIDMPCJSDGCE-RRFJBIMHSA-N 1 3 315.477 2.482 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cncs1)N(C)C ZINC001228661418 803389408 /nfs/dbraw/zinc/38/94/08/803389408.db2.gz SQIDSCSJHHXIFL-KFWWJZLASA-N 1 3 324.494 2.000 20 0 DEADHO C[C@H](CNC(=O)CC[NH+](C)C)N[C@H](C)c1ccccc1Cl ZINC001418270207 1167534978 /nfs/dbraw/zinc/53/49/78/1167534978.db2.gz UAEUORJXTNNXOP-CHWSQXEVSA-N 1 3 311.857 2.447 20 0 DEADHO CCCc1ccc(CN2CC[C@@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001370017832 1149350786 /nfs/dbraw/zinc/35/07/86/1149350786.db2.gz OGPPXNWIQXIPBR-GOSISDBHSA-N 1 3 317.477 2.281 20 0 DEADHO C[NH+](C)CCC(=O)N[C@H]1CCN(Cc2ccccc2C2CC2)C1 ZINC001370020088 1149351833 /nfs/dbraw/zinc/35/18/33/1149351833.db2.gz RUXROVXLQPYOHU-KRWDZBQOSA-N 1 3 315.461 2.206 20 0 DEADHO CC[C@@H](C(=O)N1CCCCC[C@H]([NH2+]C/C=C/Cl)C1)N(C)C ZINC001418788553 1167962382 /nfs/dbraw/zinc/96/23/82/1167962382.db2.gz HKEMCGAYYKLMOP-VFDMCBIDSA-N 1 3 315.889 2.440 20 0 DEADHO C[C@H](CC[NH2+]C[C@@H](O)c1ccccc1Br)N(C)C ZINC001335422331 1150411887 /nfs/dbraw/zinc/41/18/87/1150411887.db2.gz QORZPUHRYSHCBO-BXUZGUMPSA-N 1 3 315.255 2.412 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H](C[N@H+](C)CCC3CC3)C2)C1 ZINC001370302309 1149505200 /nfs/dbraw/zinc/50/52/00/1149505200.db2.gz IKAWRZXXIPFZKN-SJLPKXTDSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H](C[N@@H+](C)CCC3CC3)C2)C1 ZINC001370302309 1149505219 /nfs/dbraw/zinc/50/52/19/1149505219.db2.gz IKAWRZXXIPFZKN-SJLPKXTDSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H](C[N@H+](C)CCC3CC3)C2)C1 ZINC001370302310 1149505508 /nfs/dbraw/zinc/50/55/08/1149505508.db2.gz IKAWRZXXIPFZKN-WMZOPIPTSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H](C[N@@H+](C)CCC3CC3)C2)C1 ZINC001370302310 1149505534 /nfs/dbraw/zinc/50/55/34/1149505534.db2.gz IKAWRZXXIPFZKN-WMZOPIPTSA-N 1 3 321.509 2.299 20 0 DEADHO CCC[NH2+][C@@H](C)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC001328130120 1148727891 /nfs/dbraw/zinc/72/78/91/1148727891.db2.gz AYTPUMQDBNJNMM-HNNXBMFYSA-N 1 3 318.465 2.155 20 0 DEADHO CCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001368238454 1148399972 /nfs/dbraw/zinc/39/99/72/1148399972.db2.gz GPIRNHQAABOTEJ-ZIAGYGMSSA-N 1 3 319.440 2.200 20 0 DEADHO CCCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001368238454 1148399976 /nfs/dbraw/zinc/39/99/76/1148399976.db2.gz GPIRNHQAABOTEJ-ZIAGYGMSSA-N 1 3 319.440 2.200 20 0 DEADHO CC[C@H](C(=O)N(C)C[C@@H]1CCN1CC1CCC1)[NH+](CC)CC ZINC001368395229 1148431627 /nfs/dbraw/zinc/43/16/27/1148431627.db2.gz BMOFASIWTXNYPY-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[NH2+][C@@H](C)c1ccc(CNC(=O)CN(C)C2CCC2)cc1 ZINC001368411312 1148437807 /nfs/dbraw/zinc/43/78/07/1148437807.db2.gz IAZZIYBLVUFSRK-AWEZNQCLSA-N 1 3 303.450 2.458 20 0 DEADHO CC(C)(C)OC(=O)N1C[C@@H]2CN(C[C@@H]3CCC[NH2+]C3)C[C@]2(C)C1 ZINC001575207449 1069390975 /nfs/dbraw/zinc/39/09/75/1069390975.db2.gz YUOMKFJXFVVDNW-RVKKMQEKSA-N 1 3 323.481 2.175 20 0 DEADHO Cc1cc(CN(C)[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)c(C)s1 ZINC001425079344 1174168115 /nfs/dbraw/zinc/16/81/15/1174168115.db2.gz SGOHRWHQYLHILY-IUODEOHRSA-N 1 3 323.506 2.253 20 0 DEADHO Cc1cc(CN(C)[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)c(C)s1 ZINC001425079344 1174168123 /nfs/dbraw/zinc/16/81/23/1174168123.db2.gz SGOHRWHQYLHILY-IUODEOHRSA-N 1 3 323.506 2.253 20 0 DEADHO C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC001603656320 1070021866 /nfs/dbraw/zinc/02/18/66/1070021866.db2.gz GLKHUYUTCJYDBJ-LLVKDONJSA-N 1 3 318.400 2.046 20 0 DEADHO C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(-c2nn[n-]n2)cc1F ZINC001603656320 1070021877 /nfs/dbraw/zinc/02/18/77/1070021877.db2.gz GLKHUYUTCJYDBJ-LLVKDONJSA-N 1 3 318.400 2.046 20 0 DEADHO C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001603649834 1070017857 /nfs/dbraw/zinc/01/78/57/1070017857.db2.gz GKZBOYCXFZUZAE-UWTIGNOOSA-N 1 3 314.437 2.390 20 0 DEADHO C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001603649834 1070017868 /nfs/dbraw/zinc/01/78/68/1070017868.db2.gz GKZBOYCXFZUZAE-UWTIGNOOSA-N 1 3 314.437 2.390 20 0 DEADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[N@@H+](C)CC[C@H](C)F ZINC001368976254 1148814378 /nfs/dbraw/zinc/81/43/78/1148814378.db2.gz HMSPDNRPJISEIC-UONOGXRCSA-N 1 3 303.466 2.149 20 0 DEADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[N@H+](C)CC[C@H](C)F ZINC001368976254 1148814380 /nfs/dbraw/zinc/81/43/80/1148814380.db2.gz HMSPDNRPJISEIC-UONOGXRCSA-N 1 3 303.466 2.149 20 0 DEADHO CCC[NH+]1CC([C@@H](C)NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001369088200 1148846580 /nfs/dbraw/zinc/84/65/80/1148846580.db2.gz HPWUMDZTRVFTRN-CXAGYDPISA-N 1 3 313.461 2.045 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@H]1CN(Cc2ccccc2)CC1(C)C ZINC001369114447 1148851475 /nfs/dbraw/zinc/85/14/75/1148851475.db2.gz JLGLZUKQDXVQDX-KRWDZBQOSA-N 1 3 317.477 2.355 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]C/C=C/Cl)C[C@H]1C ZINC001499858153 1058329663 /nfs/dbraw/zinc/32/96/63/1058329663.db2.gz RVYVLYJTACTHRD-UMGRQFOVSA-N 1 3 301.862 2.048 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccsc1 ZINC001499955322 1058398880 /nfs/dbraw/zinc/39/88/80/1058398880.db2.gz QATJYEAGHHCKLO-HNNXBMFYSA-N 1 3 309.479 2.169 20 0 DEADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)C1 ZINC001461119847 1058586296 /nfs/dbraw/zinc/58/62/96/1058586296.db2.gz GKGRZEDVNBTOCO-MRXNPFEDSA-N 1 3 315.461 2.400 20 0 DEADHO COc1cc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)ccc1F ZINC001461342738 1058642263 /nfs/dbraw/zinc/64/22/63/1058642263.db2.gz DRUDAPDELIKFAW-SJORKVTESA-N 1 3 322.424 2.302 20 0 DEADHO CC(C)(C)CC[NH2+]CC[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001501648530 1059605346 /nfs/dbraw/zinc/60/53/46/1059605346.db2.gz ZVSMAWDWUWFZCE-MRXNPFEDSA-N 1 3 309.498 2.347 20 0 DEADHO CC(C)(C(=O)NCC1([NH2+]C/C=C/Cl)CCC1)N1CCCC1 ZINC001501989159 1059836826 /nfs/dbraw/zinc/83/68/26/1059836826.db2.gz WAXFGMHPHZIGNJ-RMKNXTFCSA-N 1 3 313.873 2.242 20 0 DEADHO CN(CCC[N@H+](C)CCC1CCCC1)C(=O)CN1CCCC1 ZINC001502396770 1060107308 /nfs/dbraw/zinc/10/73/08/1060107308.db2.gz DXFXOPJKKRVSLT-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CN(CCC[N@@H+](C)CCC1CCCC1)C(=O)CN1CCCC1 ZINC001502396770 1060107323 /nfs/dbraw/zinc/10/73/23/1060107323.db2.gz DXFXOPJKKRVSLT-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CC[C@@H](C)C[N@H+](C)C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001505434436 1060591199 /nfs/dbraw/zinc/59/11/99/1060591199.db2.gz QXZOZZQHHRBDDD-NVXWUHKLSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C)C[N@@H+](C)C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001505434436 1060591216 /nfs/dbraw/zinc/59/12/16/1060591216.db2.gz QXZOZZQHHRBDDD-NVXWUHKLSA-N 1 3 309.498 2.440 20 0 DEADHO CCCCN1CCC([NH2+]Cc2ccc3c(c2)nnn3C)CC1 ZINC001473961192 1060783056 /nfs/dbraw/zinc/78/30/56/1060783056.db2.gz XCZXUHQOMVHHNU-UHFFFAOYSA-N 1 3 301.438 2.322 20 0 DEADHO CN(C[C@@H]1CCN1CCCCCF)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001479260150 1061337514 /nfs/dbraw/zinc/33/75/14/1061337514.db2.gz GRQPSFRSUSELFB-CVEARBPZSA-N 1 3 313.461 2.001 20 0 DEADHO CN(C[C@@H]1CCN1CCCCCF)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001479260150 1061337535 /nfs/dbraw/zinc/33/75/35/1061337535.db2.gz GRQPSFRSUSELFB-CVEARBPZSA-N 1 3 313.461 2.001 20 0 DEADHO CN(C)C1(C(=O)N2CCC([N@H+](C)C/C=C/Cl)CC2)CCC1 ZINC001369185322 1148863952 /nfs/dbraw/zinc/86/39/52/1148863952.db2.gz WWLPCBBURSFBIH-BJMVGYQFSA-N 1 3 313.873 2.146 20 0 DEADHO CN(C)C1(C(=O)N2CCC([N@@H+](C)C/C=C/Cl)CC2)CCC1 ZINC001369185322 1148863955 /nfs/dbraw/zinc/86/39/55/1148863955.db2.gz WWLPCBBURSFBIH-BJMVGYQFSA-N 1 3 313.873 2.146 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[N@H+](C)CCCF ZINC001479800239 1061795003 /nfs/dbraw/zinc/79/50/03/1061795003.db2.gz JMDGNROGWKSLBC-OAHLLOKOSA-N 1 3 301.450 2.047 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)CCCF ZINC001479800239 1061795024 /nfs/dbraw/zinc/79/50/24/1061795024.db2.gz JMDGNROGWKSLBC-OAHLLOKOSA-N 1 3 301.450 2.047 20 0 DEADHO CCC[N@H+](CC)CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001479854532 1061921100 /nfs/dbraw/zinc/92/11/00/1061921100.db2.gz IPMLFZIQEGTYJT-KRWDZBQOSA-N 1 3 315.477 2.437 20 0 DEADHO CCC[N@@H+](CC)CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001479854532 1061921118 /nfs/dbraw/zinc/92/11/18/1061921118.db2.gz IPMLFZIQEGTYJT-KRWDZBQOSA-N 1 3 315.477 2.437 20 0 DEADHO C[NH+](C)CCC(=O)NC1(CNCc2cncs2)CCCCC1 ZINC001506519889 1062073740 /nfs/dbraw/zinc/07/37/40/1062073740.db2.gz XUFDVMSRQRUZFW-UHFFFAOYSA-N 1 3 324.494 2.004 20 0 DEADHO CN(CCF)C[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001480087833 1062305056 /nfs/dbraw/zinc/30/50/56/1062305056.db2.gz RGAQVXRHMHBTHE-MRXNPFEDSA-N 1 3 313.461 2.002 20 0 DEADHO CC(C)=CC[N@H+]1CCC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001480255252 1062536054 /nfs/dbraw/zinc/53/60/54/1062536054.db2.gz SGQMEPONEXJPAM-INIZCTEOSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)=CC[N@@H+]1CCC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001480255252 1062536070 /nfs/dbraw/zinc/53/60/70/1062536070.db2.gz SGQMEPONEXJPAM-INIZCTEOSA-N 1 3 307.482 2.265 20 0 DEADHO C[C@H](CCC[NH2+]Cc1ccsc1)NC(=O)CN1CC[C@@H](C)C1 ZINC001506938516 1062558595 /nfs/dbraw/zinc/55/85/95/1062558595.db2.gz TWGSTDDKRRCHRQ-HUUCEWRRSA-N 1 3 323.506 2.464 20 0 DEADHO CN(C/C=C/Cl)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001506960195 1062602615 /nfs/dbraw/zinc/60/26/15/1062602615.db2.gz HJGJAKWWJOXTOQ-FPYGCLRLSA-N 1 3 313.873 2.004 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC1CC1)N1CCCC1 ZINC001480331948 1062667223 /nfs/dbraw/zinc/66/72/23/1062667223.db2.gz OFSPAKHJJPSZNV-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CCCC[N@H+]1CC1CC1)N1CCCC1 ZINC001480331948 1062667235 /nfs/dbraw/zinc/66/72/35/1062667235.db2.gz OFSPAKHJJPSZNV-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N(C)[C@H](C[NH2+]CC1CCCC1)C1CC1 ZINC001507037246 1062704897 /nfs/dbraw/zinc/70/48/97/1062704897.db2.gz SEDVCFYBNSEGIT-QGZVFWFLSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]C/C=C\Cl ZINC001480461838 1062894750 /nfs/dbraw/zinc/89/47/50/1062894750.db2.gz OUFIFYKFFIIKOI-WSROAFLRSA-N 1 3 301.862 2.098 20 0 DEADHO Cc1cccc(Cl)c1CN[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001480590927 1063081511 /nfs/dbraw/zinc/08/15/11/1063081511.db2.gz XZBHOQSOPBXIPF-KBPBESRZSA-N 1 3 323.868 2.194 20 0 DEADHO Cc1cccc(Cl)c1CN[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001480590927 1063081534 /nfs/dbraw/zinc/08/15/34/1063081534.db2.gz XZBHOQSOPBXIPF-KBPBESRZSA-N 1 3 323.868 2.194 20 0 DEADHO Cc1ccc(F)c(CN[C@H]2C[C@H](C)N(C(=O)CC[NH+](C)C)C2)c1 ZINC001507319693 1063088636 /nfs/dbraw/zinc/08/86/36/1063088636.db2.gz KYGCJQCGKLOUPT-HOCLYGCPSA-N 1 3 321.440 2.165 20 0 DEADHO CN(CC(=O)N1C[C@H]([NH2+]CC2CC2)C(C)(C)C1)CC(C)(C)C ZINC001507446193 1063296692 /nfs/dbraw/zinc/29/66/92/1063296692.db2.gz QEMDVIOBRQALCD-HNNXBMFYSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)N(CC[N@H+](C)CCCF)C(=O)CN1CCC(C)CC1 ZINC001507849759 1063438240 /nfs/dbraw/zinc/43/82/40/1063438240.db2.gz NHSVZOKDOSMOKD-UHFFFAOYSA-N 1 3 315.477 2.247 20 0 DEADHO CC(C)N(CC[N@@H+](C)CCCF)C(=O)CN1CCC(C)CC1 ZINC001507849759 1063438266 /nfs/dbraw/zinc/43/82/66/1063438266.db2.gz NHSVZOKDOSMOKD-UHFFFAOYSA-N 1 3 315.477 2.247 20 0 DEADHO CC(C)(C)[C@@H](C[NH2+]CC1CC1)NC(=O)C(C)(C)N1CCCC1 ZINC001507990365 1063491699 /nfs/dbraw/zinc/49/16/99/1063491699.db2.gz LGRCQRJSNUMECL-OAHLLOKOSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C1CC[NH+](CC[C@H](C)F)CC1)N(C)C ZINC001508062623 1063530424 /nfs/dbraw/zinc/53/04/24/1063530424.db2.gz HBQVHKHJGXTTQY-SQWLQELKSA-N 1 3 315.477 2.291 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[N@H+](CC2CCCCC2)C2CC2)C1 ZINC001493413866 1063782383 /nfs/dbraw/zinc/78/23/83/1063782383.db2.gz JXMFQAKUOZXAAG-MRXNPFEDSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[N@@H+](CC2CCCCC2)C2CC2)C1 ZINC001493413866 1063782389 /nfs/dbraw/zinc/78/23/89/1063782389.db2.gz JXMFQAKUOZXAAG-MRXNPFEDSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)CC[NH2+]C/C=C\c1ccccc1)N(C)C ZINC001493586384 1063874014 /nfs/dbraw/zinc/87/40/14/1063874014.db2.gz PNXUIHABLRJVHG-DVESRUBUSA-N 1 3 317.477 2.334 20 0 DEADHO Cc1ccc(C[NH2+]CCN(C)C(=O)CN(C)C(C)C)c(C)c1 ZINC001493806988 1063969287 /nfs/dbraw/zinc/96/92/87/1063969287.db2.gz SOMVTAJOLUCJMQ-UHFFFAOYSA-N 1 3 305.466 2.192 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]([NH2+]CCCF)c2ccccc2)CCC1 ZINC001493889988 1064013055 /nfs/dbraw/zinc/01/30/55/1064013055.db2.gz WAOXGLBKEZATSK-INIZCTEOSA-N 1 3 321.440 2.277 20 0 DEADHO Cc1ccc(CN2CC(CNC(=O)CCC[NH+](C)C)C2)c(C)c1 ZINC001494585878 1064336699 /nfs/dbraw/zinc/33/66/99/1064336699.db2.gz QXYIKXSBBAYUKT-UHFFFAOYSA-N 1 3 317.477 2.193 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC2C[NH+](CC3CCCCCC3)C2)C1 ZINC001494594465 1064341765 /nfs/dbraw/zinc/34/17/65/1064341765.db2.gz RUVVMQKUGTWCCG-INIZCTEOSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC2C[NH+](CC3CCCCCC3)C2)C1 ZINC001494594468 1064341910 /nfs/dbraw/zinc/34/19/10/1064341910.db2.gz RUVVMQKUGTWCCG-MRXNPFEDSA-N 1 3 321.509 2.347 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCF)CC1 ZINC001568106142 1064649192 /nfs/dbraw/zinc/64/91/92/1064649192.db2.gz MFHXZNSMTKTAGU-BZUAXINKSA-N 1 3 313.461 2.237 20 0 DEADHO CC(C)=CCN(C)CCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001568501429 1064916778 /nfs/dbraw/zinc/91/67/78/1064916778.db2.gz LTXORELWBUWKNZ-IAGOWNOFSA-N 1 3 309.498 2.463 20 0 DEADHO C[C@H](CC[NH2+]CC1CC(C)(C)C1)NC(=O)CN1CC[C@H](C)C1 ZINC001568678763 1065043088 /nfs/dbraw/zinc/04/30/88/1065043088.db2.gz XWGNUIXVJZUQFH-LSDHHAIUSA-N 1 3 309.498 2.249 20 0 DEADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+]Cc1ccc(F)cc1 ZINC001495681386 1065050966 /nfs/dbraw/zinc/05/09/66/1065050966.db2.gz AHYKUKGJWNJCKA-CQSZACIVSA-N 1 3 321.440 2.152 20 0 DEADHO CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001568775734 1065111155 /nfs/dbraw/zinc/11/11/55/1065111155.db2.gz IXLZLACUGWAZJO-KRWDZBQOSA-N 1 3 323.456 2.412 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C/CNCCC(F)(F)F ZINC001568867022 1065166228 /nfs/dbraw/zinc/16/62/28/1065166228.db2.gz ZRPVWGYSWNCULS-YWVDXFKGSA-N 1 3 321.387 2.075 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC/C=C/CNCCC(F)(F)F ZINC001568867022 1065166231 /nfs/dbraw/zinc/16/62/31/1065166231.db2.gz ZRPVWGYSWNCULS-YWVDXFKGSA-N 1 3 321.387 2.075 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C\CNCCC(F)(F)F ZINC001568867021 1065166580 /nfs/dbraw/zinc/16/65/80/1065166580.db2.gz ZRPVWGYSWNCULS-XQJDBVBESA-N 1 3 321.387 2.075 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC/C=C\CNCCC(F)(F)F ZINC001568867021 1065166587 /nfs/dbraw/zinc/16/65/87/1065166587.db2.gz ZRPVWGYSWNCULS-XQJDBVBESA-N 1 3 321.387 2.075 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C/CNC/C=C/Cl)C1 ZINC001568905496 1065184561 /nfs/dbraw/zinc/18/45/61/1065184561.db2.gz ZRZTUCAZLQWVIX-GTGMGGRMSA-N 1 3 313.873 2.123 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)NC/C=C/CNC/C=C/Cl)C1 ZINC001568905496 1065184565 /nfs/dbraw/zinc/18/45/65/1065184565.db2.gz ZRZTUCAZLQWVIX-GTGMGGRMSA-N 1 3 313.873 2.123 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC/C=C\C[NH2+]CCCC(C)(C)C)C1 ZINC001568920613 1065191180 /nfs/dbraw/zinc/19/11/80/1065191180.db2.gz YPFGHIXCZNCFFL-OGZRUICASA-N 1 3 309.498 2.417 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]C/C=C\Cl ZINC001569565700 1065596609 /nfs/dbraw/zinc/59/66/09/1065596609.db2.gz CMFZOGUSBLUHIZ-XDHNQJSPSA-N 1 3 313.873 2.194 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC2CCCC2)C1 ZINC001496869255 1065766222 /nfs/dbraw/zinc/76/62/22/1065766222.db2.gz PJQFJSYVQHENED-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC2CCCC2)C1 ZINC001496869255 1065766235 /nfs/dbraw/zinc/76/62/35/1065766235.db2.gz PJQFJSYVQHENED-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]CC1CC(C)(C)C1)N(C)C ZINC001497266770 1065998694 /nfs/dbraw/zinc/99/86/94/1065998694.db2.gz ZQUPBKSBOMFLNE-GDBMZVCRSA-N 1 3 311.514 2.493 20 0 DEADHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC1=CCCCC1 ZINC001570467628 1066083954 /nfs/dbraw/zinc/08/39/54/1066083954.db2.gz NSQVEFIPSINSMX-CVEARBPZSA-N 1 3 307.482 2.313 20 0 DEADHO CC(C)[C@H](C(=O)NC/C=C/C[NH2+]CC1CC(C)(C)C1)N(C)C ZINC001497671183 1066225321 /nfs/dbraw/zinc/22/53/21/1066225321.db2.gz FTYFYOODGMMUQN-KXPUMZMLSA-N 1 3 309.498 2.271 20 0 DEADHO CC(C)[C@@H](C[NH3+])CNC[C@@H](O)c1cccc(Br)c1 ZINC001575422851 1066297586 /nfs/dbraw/zinc/29/75/86/1066297586.db2.gz NMMWKKHWISGEHK-GXTWGEPZSA-N 1 3 315.255 2.303 20 0 DEADHO CC(C)(N)C[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001575354307 1066273303 /nfs/dbraw/zinc/27/33/03/1066273303.db2.gz MLMUSAZWXUWTRP-BFHYXJOUSA-N 1 3 311.470 2.349 20 0 DEADHO CC(C)(N)C[N@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001575354307 1066273308 /nfs/dbraw/zinc/27/33/08/1066273308.db2.gz MLMUSAZWXUWTRP-BFHYXJOUSA-N 1 3 311.470 2.349 20 0 DEADHO CC(C)N(C)CC(=O)NC/C=C\C[NH2+][C@@H](C)c1ccccc1 ZINC001497766278 1066296100 /nfs/dbraw/zinc/29/61/00/1066296100.db2.gz UUMCLUWKHJELNP-QWGSZXSUSA-N 1 3 303.450 2.350 20 0 DEADHO CC1(C)CCC[C@](O)(C[NH2+][C@@H]2C[C@@H](N)C23CCOCC3)CC1 ZINC001576427679 1066603469 /nfs/dbraw/zinc/60/34/69/1066603469.db2.gz ZUVFCBIQDLMYKX-BFYDXBDKSA-N 1 3 310.482 2.194 20 0 DEADHO C[C@H]1[C@H](NC(=O)c2ccccc2CC2CC[NH2+]CC2)CCN1C ZINC001576588200 1066639515 /nfs/dbraw/zinc/63/95/15/1066639515.db2.gz SJYBZGUJLZORTD-KBXCAEBGSA-N 1 3 315.461 2.051 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CNCCO2)CCN1Cc1ccccc1 ZINC001576622387 1066646875 /nfs/dbraw/zinc/64/68/75/1066646875.db2.gz DBCLNAPMHKIVKX-BHIYHBOVSA-N 1 3 317.477 2.008 20 0 DEADHO C[C@H]1CN(CC2(C[NH3+])CC2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001576802103 1066693185 /nfs/dbraw/zinc/69/31/85/1066693185.db2.gz WCYIMRCILIXOLZ-UONOGXRCSA-N 1 3 311.470 2.208 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CCCF)CCC1 ZINC001498487492 1066739773 /nfs/dbraw/zinc/73/97/73/1066739773.db2.gz RAMNWTHWUHXZOI-CABCVRRESA-N 1 3 313.461 2.095 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC001498505464 1066751110 /nfs/dbraw/zinc/75/11/10/1066751110.db2.gz SAEILCZLUNFZHF-DLBZAZTESA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001368606126 1148522616 /nfs/dbraw/zinc/52/26/16/1148522616.db2.gz FRGUAFJTRCWQQF-JCNLHEQBSA-N 1 3 321.440 2.150 20 0 DEADHO CCO[C@@H]1C[C@](CO)([NH2+]C[C@H](N)CCC(C)(C)C)C1(C)C ZINC001578086969 1066978950 /nfs/dbraw/zinc/97/89/50/1066978950.db2.gz AYXXKUCTKCDSBN-CKEIUWERSA-N 1 3 300.487 2.296 20 0 DEADHO CC[C@@H]1CN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)C[C@H](C)N1 ZINC001578227207 1067025986 /nfs/dbraw/zinc/02/59/86/1067025986.db2.gz ZNVDRSIOVYOTFZ-RRQGHBQHSA-N 1 3 315.461 2.278 20 0 DEADHO CN(C(=O)[C@H]1CCCC[C@H]1[NH3+])[C@@H]1CCN(Cc2ccccc2)C1 ZINC001578385993 1067076243 /nfs/dbraw/zinc/07/62/43/1067076243.db2.gz KDSWSTHZWNRGLA-FGTMMUONSA-N 1 3 315.461 2.237 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)[C@@H](N)C3CCCCC3)C[C@H]2C1 ZINC001578410689 1067090271 /nfs/dbraw/zinc/09/02/71/1067090271.db2.gz JRMQQECPZTZQQW-VQHPVUNQSA-N 1 3 307.482 2.083 20 0 DEADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCN2CCCC2CCC2)C1 ZINC001499099848 1067094801 /nfs/dbraw/zinc/09/48/01/1067094801.db2.gz IAWKTHKDKMYBRM-DLBZAZTESA-N 1 3 307.482 2.099 20 0 DEADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CCN2CCCC2CCC2)C1 ZINC001499099848 1067094814 /nfs/dbraw/zinc/09/48/14/1067094814.db2.gz IAWKTHKDKMYBRM-DLBZAZTESA-N 1 3 307.482 2.099 20 0 DEADHO CN1CC[C@H]([NH2+]C[C@H](N)CC(F)F)[C@@H]1c1ccc(F)cc1 ZINC001578525322 1067123471 /nfs/dbraw/zinc/12/34/71/1067123471.db2.gz VVVHAQRBCLQAAV-IPYPFGDCSA-N 1 3 301.356 2.143 20 0 DEADHO CN1CC[C@H](NC[C@H]([NH3+])CC(F)F)[C@@H]1c1ccc(F)cc1 ZINC001578525322 1067123474 /nfs/dbraw/zinc/12/34/74/1067123474.db2.gz VVVHAQRBCLQAAV-IPYPFGDCSA-N 1 3 301.356 2.143 20 0 DEADHO CN1CC[C@H]([NH2+]C[C@@H](N)CC(F)F)[C@H]1c1ccc(F)cc1 ZINC001578525323 1067123510 /nfs/dbraw/zinc/12/35/10/1067123510.db2.gz VVVHAQRBCLQAAV-KCQAQPDRSA-N 1 3 301.356 2.143 20 0 DEADHO CN1CC[C@H](NC[C@@H]([NH3+])CC(F)F)[C@H]1c1ccc(F)cc1 ZINC001578525323 1067123513 /nfs/dbraw/zinc/12/35/13/1067123513.db2.gz VVVHAQRBCLQAAV-KCQAQPDRSA-N 1 3 301.356 2.143 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)N(CCC[NH3+])CC1CCCC1 ZINC001578529241 1067124313 /nfs/dbraw/zinc/12/43/13/1067124313.db2.gz RQJUZAZAAYVRSZ-MRXNPFEDSA-N 1 3 310.486 2.021 20 0 DEADHO CN(C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)[C@H]1CCCN(C)C1 ZINC001578528312 1067125106 /nfs/dbraw/zinc/12/51/06/1067125106.db2.gz CVEXLDFBHBZLAZ-IRXDYDNUSA-N 1 3 315.461 2.231 20 0 DEADHO Cn1c(C(=O)NC[C@H]2CCCCN2C)ccc1[C@@H]1CCCC[NH2+]1 ZINC001578529461 1067126317 /nfs/dbraw/zinc/12/63/17/1067126317.db2.gz VKDPRXIWJOUHQI-CABCVRRESA-N 1 3 318.465 2.054 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CCC2CCCCC2)CC1 ZINC001499430533 1067216884 /nfs/dbraw/zinc/21/68/84/1067216884.db2.gz OLJXBSULPBGJPD-UHFFFAOYSA-N 1 3 318.465 2.469 20 0 DEADHO COCC[N@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@@H]1CC[C@H](C)C1 ZINC001579032646 1067224521 /nfs/dbraw/zinc/22/45/21/1067224521.db2.gz CFKJDAUHRABKAF-NQYYFHDYSA-N 1 3 320.477 2.054 20 0 DEADHO COCC[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@@H]1CC[C@H](C)C1 ZINC001579032646 1067224522 /nfs/dbraw/zinc/22/45/22/1067224522.db2.gz CFKJDAUHRABKAF-NQYYFHDYSA-N 1 3 320.477 2.054 20 0 DEADHO C[C@@H](C[N@H+](C)CCc1ccccc1)NC(=O)CN1CC[C@@H](C)C1 ZINC001483384594 1078497553 /nfs/dbraw/zinc/49/75/53/1078497553.db2.gz QIPWYNFWWTYBHJ-SJORKVTESA-N 1 3 317.477 2.007 20 0 DEADHO C[C@@H](C[N@@H+](C)CCc1ccccc1)NC(=O)CN1CC[C@@H](C)C1 ZINC001483384594 1078497558 /nfs/dbraw/zinc/49/75/58/1078497558.db2.gz QIPWYNFWWTYBHJ-SJORKVTESA-N 1 3 317.477 2.007 20 0 DEADHO C[NH+](C)CCCCC(=O)N1CC[C@H](NCc2ccsc2)C1 ZINC001267022740 1078507726 /nfs/dbraw/zinc/50/77/26/1078507726.db2.gz NQBAQVOQLMMWMD-HNNXBMFYSA-N 1 3 309.479 2.171 20 0 DEADHO FC(F)(F)Cc1ncc(CN2CCC3(C[NH2+]C3)CC2)s1 ZINC001580018517 1067473187 /nfs/dbraw/zinc/47/31/87/1067473187.db2.gz ISURFNQIAHYHEA-UHFFFAOYSA-N 1 3 305.369 2.433 20 0 DEADHO C[C@H]([NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C)c1ccccc1F ZINC001483456256 1078544941 /nfs/dbraw/zinc/54/49/41/1078544941.db2.gz QZMOSUBMNWHVBL-YOEHRIQHSA-N 1 3 321.440 2.419 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CCCF ZINC001570691666 1068071109 /nfs/dbraw/zinc/07/11/09/1068071109.db2.gz YJCOVFZYFVTQJT-HNNXBMFYSA-N 1 3 315.477 2.295 20 0 DEADHO CN(CC(=O)N[C@@H]1CC[C@H](C[NH2+]C/C=C\Cl)C1)C1CCC1 ZINC001571535759 1068404229 /nfs/dbraw/zinc/40/42/29/1068404229.db2.gz GMAXOYHEKADPPP-SSNWNQLTSA-N 1 3 313.873 2.098 20 0 DEADHO CC[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@@H+]3C2)[C@H](CC)CN1 ZINC001573718621 1069079121 /nfs/dbraw/zinc/07/91/21/1069079121.db2.gz LOPRUNGWBWRFPS-MZBWOGCUSA-N 1 3 307.482 2.096 20 0 DEADHO CC[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@H+]3C2)[C@H](CC)CN1 ZINC001573718621 1069079123 /nfs/dbraw/zinc/07/91/23/1069079123.db2.gz LOPRUNGWBWRFPS-MZBWOGCUSA-N 1 3 307.482 2.096 20 0 DEADHO CC1CC[NH+](CCCNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001540421772 1072410279 /nfs/dbraw/zinc/41/02/79/1072410279.db2.gz SJPKGPSLMHBPFV-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CCCCC[N@@H+]1CCC[C@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001272469920 1078903068 /nfs/dbraw/zinc/90/30/68/1078903068.db2.gz CKQOTRIOYZSARU-GOSISDBHSA-N 1 3 309.498 2.443 20 0 DEADHO CCCCC[N@H+]1CCC[C@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001272469920 1078903072 /nfs/dbraw/zinc/90/30/72/1078903072.db2.gz CKQOTRIOYZSARU-GOSISDBHSA-N 1 3 309.498 2.443 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC001645516651 1078906699 /nfs/dbraw/zinc/90/66/99/1078906699.db2.gz GFQNESSFKLBPNX-JKSUJKDBSA-N 1 3 307.482 2.099 20 0 DEADHO Cc1nccn1-c1ccncc1NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001645584325 1078926742 /nfs/dbraw/zinc/92/67/42/1078926742.db2.gz YIIMQCFVIYUQJJ-BETUJISGSA-N 1 3 313.405 2.387 20 0 DEADHO Cc1nccn1-c1ccncc1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001645584325 1078926745 /nfs/dbraw/zinc/92/67/45/1078926745.db2.gz YIIMQCFVIYUQJJ-BETUJISGSA-N 1 3 313.405 2.387 20 0 DEADHO [NH3+]CC[C@@H]1CN(C(=O)[C@@H]2CNCc3ccccc32)c2ccccc21 ZINC001548578297 1072694734 /nfs/dbraw/zinc/69/47/34/1072694734.db2.gz KBKIQIIQBVZWJY-CRAIPNDOSA-N 1 3 321.424 2.353 20 0 DEADHO [NH3+]C[C@]12CCC[C@@H]1CN(Cc1ccc(C(=O)NC3CC3)cc1)C2 ZINC001549087491 1073011607 /nfs/dbraw/zinc/01/16/07/1073011607.db2.gz NCSAAJUQEGPCOJ-APWZRJJASA-N 1 3 313.445 2.140 20 0 DEADHO C[C@@H]1C[C@H](N[C@H]2CCCC[C@H]2NC(=O)c2ccccc2)CC[NH2+]1 ZINC001549337700 1073129180 /nfs/dbraw/zinc/12/91/80/1073129180.db2.gz IQCULGPCSIQRML-NRSFXHEJSA-N 1 3 315.461 2.458 20 0 DEADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2NC(=O)c2ccccc2)CCN1 ZINC001549337700 1073129184 /nfs/dbraw/zinc/12/91/84/1073129184.db2.gz IQCULGPCSIQRML-NRSFXHEJSA-N 1 3 315.461 2.458 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CCC(F)(F)F)CC1 ZINC001483793324 1079123985 /nfs/dbraw/zinc/12/39/85/1079123985.db2.gz AZHJJILQKMZBFV-TXEJJXNPSA-N 1 3 321.387 2.050 20 0 DEADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1(NCc2ccsc2)CC1 ZINC001483793664 1079124509 /nfs/dbraw/zinc/12/45/09/1079124509.db2.gz KQRJOOAFZAESQH-ZIAGYGMSSA-N 1 3 321.490 2.359 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3cccnc3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550423411 1073648971 /nfs/dbraw/zinc/64/89/71/1073648971.db2.gz MQEIRSFFIKNFAP-XDNAFOTISA-N 1 3 303.450 2.041 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3cccnc3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550423411 1073648973 /nfs/dbraw/zinc/64/89/73/1073648973.db2.gz MQEIRSFFIKNFAP-XDNAFOTISA-N 1 3 303.450 2.041 20 0 DEADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cc(C)ns3)C2)[C@H]1C(C)C ZINC001550424054 1073649413 /nfs/dbraw/zinc/64/94/13/1073649413.db2.gz XNUXFXKYGHKEFZ-NXOAAHMSSA-N 1 3 323.506 2.411 20 0 DEADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cc(C)ns3)C2)[C@H]1C(C)C ZINC001550424054 1073649419 /nfs/dbraw/zinc/64/94/19/1073649419.db2.gz XNUXFXKYGHKEFZ-NXOAAHMSSA-N 1 3 323.506 2.411 20 0 DEADHO CCn1cc(O[C@H]2CCC[C@@H]2NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC001550675350 1073795438 /nfs/dbraw/zinc/79/54/38/1073795438.db2.gz WFSCCVCFDOBHQN-SGTLBZGDSA-N 1 3 318.465 2.418 20 0 DEADHO CCn1cc(O[C@H]2CCC[C@@H]2NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC001550675350 1073795445 /nfs/dbraw/zinc/79/54/45/1073795445.db2.gz WFSCCVCFDOBHQN-SGTLBZGDSA-N 1 3 318.465 2.418 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C1CCCC1 ZINC001550865651 1073922167 /nfs/dbraw/zinc/92/21/67/1073922167.db2.gz CXLYLCPBPMWKCM-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C1CCCC1 ZINC001550865651 1073922174 /nfs/dbraw/zinc/92/21/74/1073922174.db2.gz CXLYLCPBPMWKCM-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO CC1([NH+]2CCC2)CCC(NCc2cc3c(cn2)OCO3)CC1 ZINC001551204081 1074106402 /nfs/dbraw/zinc/10/64/02/1074106402.db2.gz GLWXVMXDXAKVLI-UHFFFAOYSA-N 1 3 303.406 2.307 20 0 DEADHO COc1cc([C@@H](C)NC2CCC(C)([NH+]3CCOCC3)CC2)on1 ZINC001551398661 1074205185 /nfs/dbraw/zinc/20/51/85/1074205185.db2.gz HYSVKZSYBMBRDZ-TUBUQKNSSA-N 1 3 323.437 2.367 20 0 DEADHO CCC[N@H+](CCNC(=O)C(C)(C)N1CCCCC1)CC1CC1 ZINC001481136776 1079243823 /nfs/dbraw/zinc/24/38/23/1079243823.db2.gz PBVRRAUIMBBICV-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CCC[N@@H+](CCNC(=O)C(C)(C)N1CCCCC1)CC1CC1 ZINC001481136776 1079243827 /nfs/dbraw/zinc/24/38/27/1079243827.db2.gz PBVRRAUIMBBICV-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO COc1cccc(N2CCC([NH2+][C@H]3CCC[C@@H]3CN)CC2)c1 ZINC001649839059 1079253996 /nfs/dbraw/zinc/25/39/96/1079253996.db2.gz NMAJCNGHXSNIHO-KDOFPFPSSA-N 1 3 303.450 2.381 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001369276560 1148888783 /nfs/dbraw/zinc/88/87/83/1148888783.db2.gz CNMIUZQWLTUVRK-CABCVRRESA-N 1 3 314.433 2.458 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001551875663 1074403966 /nfs/dbraw/zinc/40/39/66/1074403966.db2.gz MAUHDFINIMXOPP-RWQQGDIJSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001551875663 1074403967 /nfs/dbraw/zinc/40/39/67/1074403967.db2.gz MAUHDFINIMXOPP-RWQQGDIJSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@@H](C(=O)N[C@]1(C)CC[N@H+](CC2CC2)C1)N1CCCCCC1 ZINC001484060264 1079274257 /nfs/dbraw/zinc/27/42/57/1079274257.db2.gz HEVHNHQZPRRPNH-MAUKXSAKSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H](C(=O)N[C@]1(C)CC[N@@H+](CC2CC2)C1)N1CCCCCC1 ZINC001484060264 1079274262 /nfs/dbraw/zinc/27/42/62/1079274262.db2.gz HEVHNHQZPRRPNH-MAUKXSAKSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@H]1C[C@H]([NH2+]Cc2cccc(CN3CCN(C)CC3)c2)CO1 ZINC001649879004 1079280417 /nfs/dbraw/zinc/28/04/17/1079280417.db2.gz PPEVUPZIKCULOR-OALUTQOASA-N 1 3 317.477 2.091 20 0 DEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCO[C@H]2c2ccnn2C)C1 ZINC001552381059 1074560279 /nfs/dbraw/zinc/56/02/79/1074560279.db2.gz OGUIVOKKELYPJC-KYHPRHEASA-N 1 3 320.481 2.350 20 0 DEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCO[C@@H]2c2cnn(C)c2)C1 ZINC001552381507 1074560892 /nfs/dbraw/zinc/56/08/92/1074560892.db2.gz PWOFKSUXWGXOSK-OWLYRPNTSA-N 1 3 320.481 2.350 20 0 DEADHO CCn1nccc1[C@@H]1OCCC[C@@H]1C[NH+]1CCC(N(C)C)CC1 ZINC001552520013 1074593969 /nfs/dbraw/zinc/59/39/69/1074593969.db2.gz XFPYVKQGYDRXLL-CRAIPNDOSA-N 1 3 320.481 2.397 20 0 DEADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H]2CCCO[C@H]2c2cnn(C)c2)C1 ZINC001552525073 1074595153 /nfs/dbraw/zinc/59/51/53/1074595153.db2.gz DQROZYSJEZWVTI-LZLYRXPVSA-N 1 3 320.481 2.161 20 0 DEADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCCO[C@H]2c2cnn(C)c2)C1 ZINC001552525073 1074595161 /nfs/dbraw/zinc/59/51/61/1074595161.db2.gz DQROZYSJEZWVTI-LZLYRXPVSA-N 1 3 320.481 2.161 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C[C@H]2CCCO[C@H]2c2cnn(C)c2)C1 ZINC001552525073 1074595169 /nfs/dbraw/zinc/59/51/69/1074595169.db2.gz DQROZYSJEZWVTI-LZLYRXPVSA-N 1 3 320.481 2.161 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@H]2CCCO[C@H]2c2cnn(C)c2)C1 ZINC001552525073 1074595179 /nfs/dbraw/zinc/59/51/79/1074595179.db2.gz DQROZYSJEZWVTI-LZLYRXPVSA-N 1 3 320.481 2.161 20 0 DEADHO CN(C)C[C@H](NC(=O)C1=CCC[NH2+]CC1)c1ccc(Cl)cc1 ZINC001646752829 1074599285 /nfs/dbraw/zinc/59/92/85/1074599285.db2.gz QVNSSUZPPUGVGB-INIZCTEOSA-N 1 3 321.852 2.369 20 0 DEADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H]2CCCO[C@@H]2c2nccn2C)C1 ZINC001552530734 1074601468 /nfs/dbraw/zinc/60/14/68/1074601468.db2.gz ZKTFZLRRNSFDOP-BBWFWOEESA-N 1 3 320.481 2.161 20 0 DEADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCCO[C@@H]2c2nccn2C)C1 ZINC001552530734 1074601472 /nfs/dbraw/zinc/60/14/72/1074601472.db2.gz ZKTFZLRRNSFDOP-BBWFWOEESA-N 1 3 320.481 2.161 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C[C@H]2CCCO[C@@H]2c2nccn2C)C1 ZINC001552530734 1074601478 /nfs/dbraw/zinc/60/14/78/1074601478.db2.gz ZKTFZLRRNSFDOP-BBWFWOEESA-N 1 3 320.481 2.161 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@H]2CCCO[C@@H]2c2nccn2C)C1 ZINC001552530734 1074601481 /nfs/dbraw/zinc/60/14/81/1074601481.db2.gz ZKTFZLRRNSFDOP-BBWFWOEESA-N 1 3 320.481 2.161 20 0 DEADHO C[C@H]1CN[C@@H](C)[C@H](C)N1C(=O)c1ccc([C@H]2CCCC[NH2+]2)n1C ZINC001646795015 1074622221 /nfs/dbraw/zinc/62/22/21/1074622221.db2.gz LMJYTIPNKPQNTI-ZQDZILKHSA-N 1 3 318.465 2.051 20 0 DEADHO [NH3+]Cc1ccccc1NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC001646831178 1074639177 /nfs/dbraw/zinc/63/91/77/1074639177.db2.gz BHMQXZVTAQMVKJ-QGZVFWFLSA-N 1 3 324.428 2.391 20 0 DEADHO CC1(C)[C@@H]2NCCC[C@H]2[C@H]1[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC001553026685 1074741514 /nfs/dbraw/zinc/74/15/14/1074741514.db2.gz XAKUTBOQPRYKMG-MGPQQGTHSA-N 1 3 319.415 2.379 20 0 DEADHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001369280944 1148890357 /nfs/dbraw/zinc/89/03/57/1148890357.db2.gz BPDJAJIXNNDJKS-RHSMWYFYSA-N 1 3 323.456 2.411 20 0 DEADHO C[C@H]1CN(C(=O)c2ccc3c(c2)CNC3)CCN1c1cc[nH+]cc1 ZINC001647377000 1074901908 /nfs/dbraw/zinc/90/19/08/1074901908.db2.gz PKEWTIRHPCDBEX-AWEZNQCLSA-N 1 3 322.412 2.036 20 0 DEADHO CO[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001647548647 1074944855 /nfs/dbraw/zinc/94/48/55/1074944855.db2.gz VQIQHUXBBHLTPC-RTBURBONSA-N 1 3 317.477 2.091 20 0 DEADHO CN(C)[C@@H]1CCC[N@H+](C[C@H](O)CC[C@H](O)c2ccccc2)CC1 ZINC001650057194 1079383468 /nfs/dbraw/zinc/38/34/68/1079383468.db2.gz CCQKPNYVBTZEDI-QRVBRYPASA-N 1 3 320.477 2.277 20 0 DEADHO CN(C)[C@@H]1CCC[N@@H+](C[C@H](O)CC[C@H](O)c2ccccc2)CC1 ZINC001650057194 1079383473 /nfs/dbraw/zinc/38/34/73/1079383473.db2.gz CCQKPNYVBTZEDI-QRVBRYPASA-N 1 3 320.477 2.277 20 0 DEADHO CC(=O)OC[C@@H](C)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001650077002 1079397937 /nfs/dbraw/zinc/39/79/37/1079397937.db2.gz RCCVCQFRGQVVKI-OAHLLOKOSA-N 1 3 320.433 2.202 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001567154480 1075447200 /nfs/dbraw/zinc/44/72/00/1075447200.db2.gz FLHBALZGAKVJEE-VZLFFANISA-N 1 3 313.873 2.051 20 0 DEADHO O[C@@H]1CCCN(C[C@@]23C[C@@H]2C[NH2+]C3)[C@@H]1CCc1ccccc1 ZINC001580879701 1076011800 /nfs/dbraw/zinc/01/18/00/1076011800.db2.gz CPZKTGVEUPFKMQ-MKXGPGLRSA-N 1 3 300.446 2.054 20 0 DEADHO Cc1cc(-c2nnn[n-]2)cc(C)c1C[N@H+](C)CCCCCC[NH3+] ZINC001591847065 1076792300 /nfs/dbraw/zinc/79/23/00/1076792300.db2.gz SNPWXENOZUIIFT-UHFFFAOYSA-N 1 3 316.453 2.434 20 0 DEADHO Cc1cc(-c2nnn[n-]2)cc(C)c1C[N@@H+](C)CCCCCC[NH3+] ZINC001591847065 1076792302 /nfs/dbraw/zinc/79/23/02/1076792302.db2.gz SNPWXENOZUIIFT-UHFFFAOYSA-N 1 3 316.453 2.434 20 0 DEADHO Cc1cc(-c2nn[n-]n2)cc(C)c1C[N@H+](C)CCCCCC[NH3+] ZINC001591847065 1076792304 /nfs/dbraw/zinc/79/23/04/1076792304.db2.gz SNPWXENOZUIIFT-UHFFFAOYSA-N 1 3 316.453 2.434 20 0 DEADHO Cc1cc(-c2nn[n-]n2)cc(C)c1C[N@@H+](C)CCCCCC[NH3+] ZINC001591847065 1076792306 /nfs/dbraw/zinc/79/23/06/1076792306.db2.gz SNPWXENOZUIIFT-UHFFFAOYSA-N 1 3 316.453 2.434 20 0 DEADHO [NH3+]CCC[C@@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001592745347 1076957842 /nfs/dbraw/zinc/95/78/42/1076957842.db2.gz PHXLYJQLPSMQMG-QGZVFWFLSA-N 1 3 322.416 2.437 20 0 DEADHO [NH3+]CCC[C@@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001592745347 1076957846 /nfs/dbraw/zinc/95/78/46/1076957846.db2.gz PHXLYJQLPSMQMG-QGZVFWFLSA-N 1 3 322.416 2.437 20 0 DEADHO c1c(C[NH+]2CCCC2)cc(-c2nnn[n-]2)cc1C[NH+]1CCCC1 ZINC001593543297 1077020419 /nfs/dbraw/zinc/02/04/19/1077020419.db2.gz JIIKUXOHWHIMEN-UHFFFAOYSA-N 1 3 312.421 2.058 20 0 DEADHO Cc1ccc(CN(C)C)cc1NC(=O)C1([C@@H](C)[NH3+])CCOCC1 ZINC001650339033 1079539709 /nfs/dbraw/zinc/53/97/09/1079539709.db2.gz QJVCPCNTQSTJTE-CQSZACIVSA-N 1 3 319.449 2.139 20 0 DEADHO CC(C)[C@H]1CN(C(=O)[C@H]2CCCCC23CC[NH2+]CC3)CCN1 ZINC001650343521 1079544869 /nfs/dbraw/zinc/54/48/69/1079544869.db2.gz NWAKLXPDNUJBPL-HZPDHXFCSA-N 1 3 307.482 2.003 20 0 DEADHO CC(C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001484338776 1079548461 /nfs/dbraw/zinc/54/84/61/1079548461.db2.gz OQUDQSJYVXRJMG-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CCCCC[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001484370175 1079567431 /nfs/dbraw/zinc/56/74/31/1079567431.db2.gz ZCIRGZYKURORCG-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCCC[C@@]23CCC[NH2+]C3)c1 ZINC001650443000 1079627665 /nfs/dbraw/zinc/62/76/65/1079627665.db2.gz VDKPZUGIHQRNKX-IBGZPJMESA-N 1 3 315.461 2.497 20 0 DEADHO CC[C@H](C(=O)N(C)CC[NH2+]Cc1ccccc1C1CC1)N(C)C ZINC001481304376 1079693044 /nfs/dbraw/zinc/69/30/44/1079693044.db2.gz RMHKZLYJNSUAQC-GOSISDBHSA-N 1 3 317.477 2.452 20 0 DEADHO C[C@@H]([NH2+]CCC1CC1)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001481334772 1079730524 /nfs/dbraw/zinc/73/05/24/1079730524.db2.gz NDUSLGJBWMEMPY-OAHLLOKOSA-N 1 3 321.509 2.488 20 0 DEADHO CN(CCC[N@H+](C)CC1CC(C)(C)C1)C(=O)[C@@H]1CCCN1C ZINC001484736533 1079769172 /nfs/dbraw/zinc/76/91/72/1079769172.db2.gz MXZMFQWKUJSRJR-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CN(CCC[N@@H+](C)CC1CC(C)(C)C1)C(=O)[C@@H]1CCCN1C ZINC001484736533 1079769177 /nfs/dbraw/zinc/76/91/77/1079769177.db2.gz MXZMFQWKUJSRJR-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO COCCN(C)CCC[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001655273860 1079993011 /nfs/dbraw/zinc/99/30/11/1079993011.db2.gz JYWANQKMCKYUBX-PKOBYXMFSA-N 1 3 319.493 2.380 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@@H]2CC[NH2+]CCCF)C1 ZINC001268163900 1080141710 /nfs/dbraw/zinc/14/17/10/1080141710.db2.gz RXNBZXFLZLEEID-HZPDHXFCSA-N 1 3 313.461 2.049 20 0 DEADHO CN(CCN(C)C(=O)C1(C[NH+](C)C)CC1)CC1=CCCCC1 ZINC001268246817 1080230263 /nfs/dbraw/zinc/23/02/63/1080230263.db2.gz BSEUUJMVTSKQDZ-UHFFFAOYSA-N 1 3 307.482 2.219 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001485651997 1080344618 /nfs/dbraw/zinc/34/46/18/1080344618.db2.gz APQIACJGLXEQGY-ULQDDVLXSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001485651997 1080344623 /nfs/dbraw/zinc/34/46/23/1080344623.db2.gz APQIACJGLXEQGY-ULQDDVLXSA-N 1 3 321.509 2.343 20 0 DEADHO CC[N@H+](CCCNC(=O)CN1CC[C@H](C)C1)CC1CC(C)C1 ZINC001660589021 1080362458 /nfs/dbraw/zinc/36/24/58/1080362458.db2.gz HWIGAVAKHHARFI-GTPINHCMSA-N 1 3 309.498 2.203 20 0 DEADHO CC[N@@H+](CCCNC(=O)CN1CC[C@H](C)C1)CC1CC(C)C1 ZINC001660589021 1080362466 /nfs/dbraw/zinc/36/24/66/1080362466.db2.gz HWIGAVAKHHARFI-GTPINHCMSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)[NH2+]CCCN(Cc1ccccc1)C(=O)Cc1c[nH]cn1 ZINC001485768149 1080423708 /nfs/dbraw/zinc/42/37/08/1080423708.db2.gz BZSACHDJSGWZBE-UHFFFAOYSA-N 1 3 314.433 2.369 20 0 DEADHO CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107042263 1080556488 /nfs/dbraw/zinc/55/64/88/1080556488.db2.gz DFVRGDYSPUEGOK-NVXWUHKLSA-N 1 3 311.514 2.447 20 0 DEADHO CC[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001482020836 1080696294 /nfs/dbraw/zinc/69/62/94/1080696294.db2.gz LYILPDXMVQHZKO-QAETUUGQSA-N 1 3 309.498 2.391 20 0 DEADHO CCCCCC[N@@H+]1CC[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001663634307 1080793488 /nfs/dbraw/zinc/79/34/88/1080793488.db2.gz QOUGMWACFRRWTP-OAHLLOKOSA-N 1 3 306.454 2.279 20 0 DEADHO CCCCCC[N@H+]1CC[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001663634307 1080793497 /nfs/dbraw/zinc/79/34/97/1080793497.db2.gz QOUGMWACFRRWTP-OAHLLOKOSA-N 1 3 306.454 2.279 20 0 DEADHO CC1CC(C[NH2+]C/C=C\CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001268591458 1080837328 /nfs/dbraw/zinc/83/73/28/1080837328.db2.gz QUHYQBDSNUYXCG-SREVYHEPSA-N 1 3 309.498 2.272 20 0 DEADHO CCc1ccc(C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001664169876 1080870494 /nfs/dbraw/zinc/87/04/94/1080870494.db2.gz RTQANRAMXXFMCW-GOSISDBHSA-N 1 3 319.493 2.383 20 0 DEADHO CC[C@H](C(=O)NC/C=C/C[NH2+][C@H](C)c1ccc(F)cc1)N(C)C ZINC001268617829 1080895819 /nfs/dbraw/zinc/89/58/19/1080895819.db2.gz OTATWIPVCQMRPX-CMFPSAGXSA-N 1 3 321.440 2.489 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001664740707 1080952269 /nfs/dbraw/zinc/95/22/69/1080952269.db2.gz JKDJYMLIWIDMCT-IAGOWNOFSA-N 1 3 307.482 2.123 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001664740707 1080952274 /nfs/dbraw/zinc/95/22/74/1080952274.db2.gz JKDJYMLIWIDMCT-IAGOWNOFSA-N 1 3 307.482 2.123 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)C1CC[NH+](CC(C)C)CC1 ZINC001006445569 1081164779 /nfs/dbraw/zinc/16/47/79/1081164779.db2.gz JXJSXDMFJZISIQ-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CCC(CC)CN1CC(N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000950363892 1081318226 /nfs/dbraw/zinc/31/82/26/1081318226.db2.gz VZBPEXCXRRHLEY-RHSMWYFYSA-N 1 3 309.498 2.296 20 0 DEADHO CCC(CC)CN1CC(N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000950363892 1081318229 /nfs/dbraw/zinc/31/82/29/1081318229.db2.gz VZBPEXCXRRHLEY-RHSMWYFYSA-N 1 3 309.498 2.296 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CC[NH2+]Cc1ccccc1C ZINC001668288802 1081337902 /nfs/dbraw/zinc/33/79/02/1081337902.db2.gz NPJKPHOJSVFMBC-AWEZNQCLSA-N 1 3 314.433 2.254 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)NC[C@@H]1CCCCN1C ZINC001668301034 1081338776 /nfs/dbraw/zinc/33/87/76/1081338776.db2.gz ATUVHTGRYHHNHT-INIZCTEOSA-N 1 3 312.502 2.282 20 0 DEADHO CC[C@H](C)C[NH2+]CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001269839504 1081378374 /nfs/dbraw/zinc/37/83/74/1081378374.db2.gz ZKGAGVRQXNNEPQ-RDJZCZTQSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CCC[NH2+]Cc1ccc(F)cc1 ZINC001670358038 1081512322 /nfs/dbraw/zinc/51/23/22/1081512322.db2.gz ZSVGRVWLTUBGGW-UHFFFAOYSA-N 1 3 309.429 2.104 20 0 DEADHO CN(C)C1(C(=O)N[C@H](C[NH2+]CCCF)C2CCCC2)CCC1 ZINC001671536242 1081522026 /nfs/dbraw/zinc/52/20/26/1081522026.db2.gz MPAYVOQRGMZQLD-OAHLLOKOSA-N 1 3 313.461 2.095 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]CC=C(C)C)CCC1 ZINC001673172068 1081743692 /nfs/dbraw/zinc/74/36/92/1081743692.db2.gz IIJOQGRWDMKSMQ-MRXNPFEDSA-N 1 3 307.482 2.456 20 0 DEADHO C[C@@H](C[NH2+]CCC1=CCCCC1)N(C)C(=O)[C@H]1CCCN1C ZINC001270921887 1081839573 /nfs/dbraw/zinc/83/95/73/1081839573.db2.gz PVHAVMUFAIMWOM-DOTOQJQBSA-N 1 3 307.482 2.408 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC[C@@H](C)F)N(C)C ZINC001674396377 1081866473 /nfs/dbraw/zinc/86/64/73/1081866473.db2.gz IQPNBHNIEVXJCH-ILXRZTDVSA-N 1 3 301.450 2.045 20 0 DEADHO CCCCC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001271402004 1082030738 /nfs/dbraw/zinc/03/07/38/1082030738.db2.gz BGHJQOJRVHWEMY-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO OC1(C[NH+]2CC3(CCC3)C2)CCN(Cc2ccccc2)CC1 ZINC000397484507 1082074918 /nfs/dbraw/zinc/07/49/18/1082074918.db2.gz AXXUUKBTLGMNNH-UHFFFAOYSA-N 1 3 300.446 2.499 20 0 DEADHO CC(C)CCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001271673756 1082106441 /nfs/dbraw/zinc/10/64/41/1082106441.db2.gz MDALBBYJLBETKI-GJZGRUSLSA-N 1 3 306.454 2.073 20 0 DEADHO CC(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCN1C(C)C)C1CC1 ZINC001670469369 1082145329 /nfs/dbraw/zinc/14/53/29/1082145329.db2.gz IKRDDZJGPIHMRD-IRXDYDNUSA-N 1 3 309.498 2.390 20 0 DEADHO CC[NH2+]CCN(Cc1ccccc1)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC001271827418 1082166486 /nfs/dbraw/zinc/16/64/86/1082166486.db2.gz ZPVYELBGSKTMJD-CALCHBBNSA-N 1 3 317.477 2.498 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](N)C2CCCCCC2)C1 ZINC001648976703 1082332477 /nfs/dbraw/zinc/33/24/77/1082332477.db2.gz ZEJBPESNMAJKCA-WBVHZDCISA-N 1 3 309.498 2.474 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](N)C2CCCCCC2)C1 ZINC001648976703 1082332485 /nfs/dbraw/zinc/33/24/85/1082332485.db2.gz ZEJBPESNMAJKCA-WBVHZDCISA-N 1 3 309.498 2.474 20 0 DEADHO CCC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nc[nH]c1C ZINC001266904696 1082444913 /nfs/dbraw/zinc/44/49/13/1082444913.db2.gz WVLCEUCLYQFFOI-QTNZTWSISA-N 1 3 316.449 2.053 20 0 DEADHO CCC/C=C/CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nc[nH]c1C ZINC001266904696 1082444918 /nfs/dbraw/zinc/44/49/18/1082444918.db2.gz WVLCEUCLYQFFOI-QTNZTWSISA-N 1 3 316.449 2.053 20 0 DEADHO C[C@@H](CC[NH2+]Cc1ccccc1F)NC(=O)CN1CC[C@@H](C)C1 ZINC001482870844 1082537841 /nfs/dbraw/zinc/53/78/41/1082537841.db2.gz HNILLTMNLYZUSM-CABCVRRESA-N 1 3 321.440 2.152 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccccc1F)N(C)C ZINC001482874626 1082539619 /nfs/dbraw/zinc/53/96/19/1082539619.db2.gz JXGNIDOKINCBAW-BBRMVZONSA-N 1 3 309.429 2.150 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]CC[C@@H](C)NC(=O)CN(C)C(C)C ZINC001482902824 1082553907 /nfs/dbraw/zinc/55/39/07/1082553907.db2.gz UPSLJIIXXHDIHN-OAHLLOKOSA-N 1 3 323.456 2.459 20 0 DEADHO CC1CCN(CC(=O)NC/C=C/C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001483077370 1082693252 /nfs/dbraw/zinc/69/32/52/1082693252.db2.gz JHEZYHRJHHYEGH-SNAWJCMRSA-N 1 3 321.509 2.417 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]CC[C@@H]1CC1(Cl)Cl)N(C)C ZINC001483140581 1082771757 /nfs/dbraw/zinc/77/17/57/1082771757.db2.gz NWGYTJVLPBOPHQ-IJLUTSLNSA-N 1 3 324.296 2.005 20 0 DEADHO C[C@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[N@H+](C)CC1CC1 ZINC001409616590 1082987702 /nfs/dbraw/zinc/98/77/02/1082987702.db2.gz KOEGMBYNLOXOCM-DYVFJYSZSA-N 1 3 313.461 2.045 20 0 DEADHO C[C@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[N@@H+](C)CC1CC1 ZINC001409616590 1082987706 /nfs/dbraw/zinc/98/77/06/1082987706.db2.gz KOEGMBYNLOXOCM-DYVFJYSZSA-N 1 3 313.461 2.045 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCc2ccccc21 ZINC001483285707 1083073969 /nfs/dbraw/zinc/07/39/69/1083073969.db2.gz HWLGJOCTDCMAHB-WMLDXEAASA-N 1 3 303.450 2.110 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccccc1 ZINC001276403818 1083383895 /nfs/dbraw/zinc/38/38/95/1083383895.db2.gz AKROMBJZZVQAIP-SFHVURJKSA-N 1 3 317.477 2.499 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CC1CC(C)C1 ZINC001276405877 1083402476 /nfs/dbraw/zinc/40/24/76/1083402476.db2.gz SBUJLODGIPFZRZ-JCYILVPMSA-N 1 3 309.498 2.345 20 0 DEADHO CC1(C[NH+]2CCC3(CCCN(Cc4cn[nH]c4)C3)CC2)COC1 ZINC001276415255 1083421111 /nfs/dbraw/zinc/42/11/11/1083421111.db2.gz GCKAZYJQXYBCRM-UHFFFAOYSA-N 1 3 318.465 2.124 20 0 DEADHO CCN(CC(=O)N1CCCCCC1)CC1CC[NH+](CC)CC1 ZINC001413211824 1083442936 /nfs/dbraw/zinc/44/29/36/1083442936.db2.gz DWZGDZQINCOAGP-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CC(C)=CCN1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001276601624 1083509929 /nfs/dbraw/zinc/50/99/29/1083509929.db2.gz QOGYWKVCTLAOBV-HNNXBMFYSA-N 1 3 307.482 2.121 20 0 DEADHO CN(C)C(=O)[C@@H]1CCC[C@]12CCN(CCC[NH+]1CCCCC1)C2 ZINC001277183726 1083835859 /nfs/dbraw/zinc/83/58/59/1083835859.db2.gz POJBNVREJFQPTC-PKOBYXMFSA-N 1 3 321.509 2.443 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2C)C1)N(C)C ZINC001490904120 1083884207 /nfs/dbraw/zinc/88/42/07/1083884207.db2.gz QLKRUCODUGKHRC-BRWVUGGUSA-N 1 3 321.440 2.211 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+]C/C=C\Cl)CC1)N(C)C ZINC001272763066 1083962248 /nfs/dbraw/zinc/96/22/48/1083962248.db2.gz MEVFVOBUFWZDQC-DTQGZOLVSA-N 1 3 315.889 2.344 20 0 DEADHO CN1CCC([N@@H+]2CCC[C@@]3(CN(C4CCCC4)CCO3)C2)CC1 ZINC001277627044 1084065780 /nfs/dbraw/zinc/06/57/80/1084065780.db2.gz MMUVDJVNYOBQFH-IBGZPJMESA-N 1 3 321.509 2.190 20 0 DEADHO CN1CCC([N@H+]2CCC[C@@]3(CN(C4CCCC4)CCO3)C2)CC1 ZINC001277627044 1084065786 /nfs/dbraw/zinc/06/57/86/1084065786.db2.gz MMUVDJVNYOBQFH-IBGZPJMESA-N 1 3 321.509 2.190 20 0 DEADHO CCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCN1C(C)C ZINC001277647589 1084075627 /nfs/dbraw/zinc/07/56/27/1084075627.db2.gz SWZRWRXFKSJXER-SJORKVTESA-N 1 3 309.498 2.486 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@@H](C[NH2+]C/C=C/Cl)C2)CCC1 ZINC001491153994 1084114433 /nfs/dbraw/zinc/11/44/33/1084114433.db2.gz PHNYFQMRTXCWQT-KVEVGEHQSA-N 1 3 313.873 2.051 20 0 DEADHO OC[C@@]12C[NH2+]C[C@@H]1CN(CC(c1ccccc1)c1ccccc1)C2 ZINC001235000957 1084267493 /nfs/dbraw/zinc/26/74/93/1084267493.db2.gz ILKHDPFGFNDXMT-CTNGQTDRSA-N 1 3 322.452 2.332 20 0 DEADHO C[C@@H](F)CC[NH2+][C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001491457457 1084325999 /nfs/dbraw/zinc/32/59/99/1084325999.db2.gz SSTYLEJHARDDMJ-ZIAGYGMSSA-N 1 3 301.450 2.093 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]CC1CC(C)(C)C1)N(C)C ZINC001272845924 1084373205 /nfs/dbraw/zinc/37/32/05/1084373205.db2.gz ZQUPBKSBOMFLNE-ZBFHGGJFSA-N 1 3 311.514 2.493 20 0 DEADHO OCCCC[NH+]1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC001235613448 1084477480 /nfs/dbraw/zinc/47/74/80/1084477480.db2.gz XNKMKGYYPTZJQR-UHFFFAOYSA-N 1 3 303.450 2.142 20 0 DEADHO CCOc1ccc(CN2CCC[C@@H](N3CC([NH3+])C3)C2)cc1CC ZINC001236074277 1084604903 /nfs/dbraw/zinc/60/49/03/1084604903.db2.gz WMMOLUCIOQTHNV-GOSISDBHSA-N 1 3 317.477 2.255 20 0 DEADHO Cc1cc(N2CCN(CCCC[NH3+])CC2)n(-c2ccccc2)n1 ZINC001236104102 1084612445 /nfs/dbraw/zinc/61/24/45/1084612445.db2.gz ZYCZXIHHAWPJHI-UHFFFAOYSA-N 1 3 313.449 2.042 20 0 DEADHO Cc1cc(CN2CCC(N3CC[NH2+]CC3)CC2)cc(C)c1F ZINC001236128168 1084619136 /nfs/dbraw/zinc/61/91/36/1084619136.db2.gz MJOVJJYTDOCBHB-UHFFFAOYSA-N 1 3 305.441 2.312 20 0 DEADHO CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)C12CCC2 ZINC001078626670 1084771697 /nfs/dbraw/zinc/77/16/97/1084771697.db2.gz SXEXHELJJZYHAI-LSDHHAIUSA-N 1 3 307.482 2.288 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1C[NH2+]Cc1ccccc1 ZINC000960150774 1085130126 /nfs/dbraw/zinc/13/01/26/1085130126.db2.gz NVRVWSVNBRBBJS-KRWDZBQOSA-N 1 3 312.417 2.123 20 0 DEADHO CCC[NH+]1CCC([C@H](C)NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001486447806 1085318795 /nfs/dbraw/zinc/31/87/95/1085318795.db2.gz NWDXUYHSKNAXTK-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(C)C ZINC000961948613 1085917795 /nfs/dbraw/zinc/91/77/95/1085917795.db2.gz TWPFDYNEEUADOD-VVLHAWIVSA-N 1 3 307.482 2.096 20 0 DEADHO CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(C)C ZINC000961948613 1085917803 /nfs/dbraw/zinc/91/78/03/1085917803.db2.gz TWPFDYNEEUADOD-VVLHAWIVSA-N 1 3 307.482 2.096 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C1C[NH+](CCc2ccccc2)C1 ZINC001409958774 1086003548 /nfs/dbraw/zinc/00/35/48/1086003548.db2.gz AZPWUBHVAGZJPN-INIZCTEOSA-N 1 3 317.477 2.006 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NC1CC(C[NH2+]CC2CC(C)(C)C2)C1 ZINC000962306651 1086060098 /nfs/dbraw/zinc/06/00/98/1086060098.db2.gz PTLPRMZWUBYCBR-HPUBIQBYSA-N 1 3 321.509 2.391 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1CC(C[NH2+]CC2=CCCCC2)C1 ZINC000962599094 1086180466 /nfs/dbraw/zinc/18/04/66/1086180466.db2.gz VBHGEYCSVYDXIO-UHFFFAOYSA-N 1 3 316.449 2.245 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+]Cc1cc(C)cc(C)c1 ZINC001128532944 1086186441 /nfs/dbraw/zinc/18/64/41/1086186441.db2.gz BRZDENBYXRZXHW-QGZVFWFLSA-N 1 3 323.456 2.189 20 0 DEADHO CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1CN(C)C ZINC000962781978 1086233449 /nfs/dbraw/zinc/23/34/49/1086233449.db2.gz VISFPTZBFGPKMB-PIIMJCKOSA-N 1 3 315.461 2.208 20 0 DEADHO CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1CN(C)C ZINC000962781978 1086233458 /nfs/dbraw/zinc/23/34/58/1086233458.db2.gz VISFPTZBFGPKMB-PIIMJCKOSA-N 1 3 315.461 2.208 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CC[NH2+]CCC1CCCC1 ZINC001273148539 1087011406 /nfs/dbraw/zinc/01/14/06/1087011406.db2.gz BEXBXTUGQRBSJD-CYBMUJFWSA-N 1 3 306.454 2.325 20 0 DEADHO CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000957516758 1088370423 /nfs/dbraw/zinc/37/04/23/1088370423.db2.gz BKEMGCINQXSHIZ-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)CC1 ZINC000957559346 1088406528 /nfs/dbraw/zinc/40/65/28/1088406528.db2.gz GKFMUSSQOORFKR-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[NH+]1CCC2(CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC000957612205 1088458792 /nfs/dbraw/zinc/45/87/92/1088458792.db2.gz KAFQRPKEOIRNCJ-UHFFFAOYSA-N 1 3 304.438 2.067 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(C)C)C[C@H]1C ZINC001080021879 1088567080 /nfs/dbraw/zinc/56/70/80/1088567080.db2.gz WMYZSZCYUIZMAY-ZACQAIPSSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(C)C)C[C@H]1C ZINC001080021879 1088567090 /nfs/dbraw/zinc/56/70/90/1088567090.db2.gz WMYZSZCYUIZMAY-ZACQAIPSSA-N 1 3 309.498 2.199 20 0 DEADHO C[C@@H]1C[C@H]([N@H+]2CCC(=O)N(CCN(C)C)CC2)CC(C)(C)C1 ZINC001258700367 1089017517 /nfs/dbraw/zinc/01/75/17/1089017517.db2.gz LSZISZCDRWXCSQ-CVEARBPZSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@@H]1C[C@H]([N@@H+]2CCC(=O)N(CCN(C)C)CC2)CC(C)(C)C1 ZINC001258700367 1089017533 /nfs/dbraw/zinc/01/75/33/1089017533.db2.gz LSZISZCDRWXCSQ-CVEARBPZSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001084338495 1090271292 /nfs/dbraw/zinc/27/12/92/1090271292.db2.gz SPBWPUIBAAJXKP-BRWVUGGUSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001084338495 1090271296 /nfs/dbraw/zinc/27/12/96/1090271296.db2.gz SPBWPUIBAAJXKP-BRWVUGGUSA-N 1 3 307.482 2.048 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC(C)C)C[C@H]2C1 ZINC001410183390 1090386900 /nfs/dbraw/zinc/38/69/00/1090386900.db2.gz LOFWDAGQCWYCKV-GVDBMIGSSA-N 1 3 309.498 2.201 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC(C)C)C[C@H]2C1 ZINC001410183390 1090386907 /nfs/dbraw/zinc/38/69/07/1090386907.db2.gz LOFWDAGQCWYCKV-GVDBMIGSSA-N 1 3 309.498 2.201 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC3CC3)[C@H]2C1 ZINC001084953361 1090543553 /nfs/dbraw/zinc/54/35/53/1090543553.db2.gz GTCKLTKQDHYOHO-SQNIBIBYSA-N 1 3 319.493 2.194 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC3CC3)[C@H]2C1 ZINC001084953361 1090543555 /nfs/dbraw/zinc/54/35/55/1090543555.db2.gz GTCKLTKQDHYOHO-SQNIBIBYSA-N 1 3 319.493 2.194 20 0 DEADHO CCCN(C(=O)c1cccc(CC[NH+](C)C)c1)[C@H]1CCN(C)C1 ZINC001412264841 1091266843 /nfs/dbraw/zinc/26/68/43/1091266843.db2.gz BOPOLKPYHDZNKE-SFHVURJKSA-N 1 3 317.477 2.347 20 0 DEADHO C[C@H](C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1)N1CCCCCC1 ZINC001412339633 1091328565 /nfs/dbraw/zinc/32/85/65/1091328565.db2.gz VLYBUCSWWDGWPS-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO c1n[nH]cc1CN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cnc2cc[nH]cc1-2 ZINC001276129918 1091579932 /nfs/dbraw/zinc/57/99/32/1091579932.db2.gz XLRQWMNERNPLGI-ROUUACIJSA-N 1 3 322.416 2.135 20 0 DEADHO c1n[nH]cc1CN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cnc2cc[nH]cc1-2 ZINC001276129918 1091579939 /nfs/dbraw/zinc/57/99/39/1091579939.db2.gz XLRQWMNERNPLGI-ROUUACIJSA-N 1 3 322.416 2.135 20 0 DEADHO Cc1cc(CN[C@@]23CC[C@@]([NH2+]Cc4cn[nH]c4)(C2)CCC3)n[nH]1 ZINC001275208433 1091613613 /nfs/dbraw/zinc/61/36/13/1091613613.db2.gz LMOJKZHBGRNQRE-SJORKVTESA-N 1 3 314.437 2.166 20 0 DEADHO Cc1cc(C[NH2+][C@@]23CC[C@@](NCc4cn[nH]c4)(C2)CCC3)[nH]n1 ZINC001275208433 1091613618 /nfs/dbraw/zinc/61/36/18/1091613618.db2.gz LMOJKZHBGRNQRE-SJORKVTESA-N 1 3 314.437 2.166 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NC1CC(C[NH2+]C/C=C\Cl)C1 ZINC001275331676 1091675489 /nfs/dbraw/zinc/67/54/89/1091675489.db2.gz OQINMDVBZVYAHB-HXEIOBHDSA-N 1 3 313.873 2.098 20 0 DEADHO Cc1cc(CN2CC[C@H]3C[N@@H+](CCN(C)C)C[C@H]32)ccc1F ZINC001276229731 1091719319 /nfs/dbraw/zinc/71/93/19/1091719319.db2.gz APEWUUPLMIOMBX-FUHWJXTLSA-N 1 3 305.441 2.202 20 0 DEADHO Cc1cc(CN2CC[C@H]3C[N@H+](CCN(C)C)C[C@H]32)ccc1F ZINC001276229731 1091719322 /nfs/dbraw/zinc/71/93/22/1091719322.db2.gz APEWUUPLMIOMBX-FUHWJXTLSA-N 1 3 305.441 2.202 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]CCCN(C)C(=O)Cc1c[nH]cn1 ZINC001276245758 1091735570 /nfs/dbraw/zinc/73/55/70/1091735570.db2.gz UKXOSORFUSHVHI-UHFFFAOYSA-N 1 3 318.396 2.038 20 0 DEADHO Cc1nc(C)c(CN2CCCC3(CN(CC[NH+](C)C)C3)C2)s1 ZINC001276271465 1091757252 /nfs/dbraw/zinc/75/72/52/1091757252.db2.gz QHJQDWQQSYSRJP-UHFFFAOYSA-N 1 3 322.522 2.219 20 0 DEADHO C[C@H](C[N@H+](C)CC1=CCCCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001275649551 1091941895 /nfs/dbraw/zinc/94/18/95/1091941895.db2.gz VZXGHGHMPVOGBT-HZPDHXFCSA-N 1 3 307.482 2.265 20 0 DEADHO C[C@H](C[N@@H+](C)CC1=CCCCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001275649551 1091941900 /nfs/dbraw/zinc/94/19/00/1091941900.db2.gz VZXGHGHMPVOGBT-HZPDHXFCSA-N 1 3 307.482 2.265 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCCC2CCC2)C1)C1CC1 ZINC001190652795 1091951266 /nfs/dbraw/zinc/95/12/66/1091951266.db2.gz AVDZGBLDSJCEPM-QZTJIDSGSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCC2)C1)C1CC1 ZINC001190652795 1091951271 /nfs/dbraw/zinc/95/12/71/1091951271.db2.gz AVDZGBLDSJCEPM-QZTJIDSGSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)=CC[N@H+]1CCC[C@H](N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000948813238 1091951907 /nfs/dbraw/zinc/95/19/07/1091951907.db2.gz XQGJCKSVHGJDIZ-INIZCTEOSA-N 1 3 304.438 2.231 20 0 DEADHO CC(C)=CC[N@@H+]1CCC[C@H](N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000948813238 1091951911 /nfs/dbraw/zinc/95/19/11/1091951911.db2.gz XQGJCKSVHGJDIZ-INIZCTEOSA-N 1 3 304.438 2.231 20 0 DEADHO CCN(CC[NH2+]CCC1CC1)C(=O)[C@@H]1CCCCN1C(C)C ZINC001273646876 1091971707 /nfs/dbraw/zinc/97/17/07/1091971707.db2.gz ZZJGPYFFIFBTSQ-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCCCN1C ZINC000948932406 1092004990 /nfs/dbraw/zinc/00/49/90/1092004990.db2.gz IZCAVBNVHGDVGO-ZWKOTPCHSA-N 1 3 315.461 2.206 20 0 DEADHO CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCCCN1C ZINC000948932406 1092004999 /nfs/dbraw/zinc/00/49/99/1092004999.db2.gz IZCAVBNVHGDVGO-ZWKOTPCHSA-N 1 3 315.461 2.206 20 0 DEADHO C[C@H](F)CCN1CC[C@@H]1CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001488698894 1092694867 /nfs/dbraw/zinc/69/48/67/1092694867.db2.gz MCGFUQNFAHTILI-JKSUJKDBSA-N 1 3 313.461 2.143 20 0 DEADHO CC[C@H](C(=O)NCCC[N@H+](C)Cc1cccc(F)c1)N(C)C ZINC001490214883 1093228818 /nfs/dbraw/zinc/22/88/18/1093228818.db2.gz WVODRNYKLXMDFZ-MRXNPFEDSA-N 1 3 309.429 2.104 20 0 DEADHO CC[C@H](C(=O)NCCC[N@@H+](C)Cc1cccc(F)c1)N(C)C ZINC001490214883 1093228827 /nfs/dbraw/zinc/22/88/27/1093228827.db2.gz WVODRNYKLXMDFZ-MRXNPFEDSA-N 1 3 309.429 2.104 20 0 DEADHO CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001490552724 1093415298 /nfs/dbraw/zinc/41/52/98/1093415298.db2.gz DQFBSEFFIZZJDS-JFDDCEBESA-N 1 3 307.482 2.408 20 0 DEADHO CC/C=C/CC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001490552724 1093415303 /nfs/dbraw/zinc/41/53/03/1093415303.db2.gz DQFBSEFFIZZJDS-JFDDCEBESA-N 1 3 307.482 2.408 20 0 DEADHO COCC1(CNC[C@H](O)C[NH2+]C(C)(C)C)CCC(F)(F)CC1 ZINC001253410744 1093723191 /nfs/dbraw/zinc/72/31/91/1093723191.db2.gz SONWOYSBDKUIAT-ZDUSSCGKSA-N 1 3 322.440 2.167 20 0 DEADHO COCC1(C[NH2+]C[C@H](O)CNC(C)(C)C)CCC(F)(F)CC1 ZINC001253410744 1093723195 /nfs/dbraw/zinc/72/31/95/1093723195.db2.gz SONWOYSBDKUIAT-ZDUSSCGKSA-N 1 3 322.440 2.167 20 0 DEADHO CC(C)[C@@H](C(=O)NC/C=C/C[NH2+]CC1=CCCCC1)N(C)C ZINC001274105722 1093800014 /nfs/dbraw/zinc/80/00/14/1093800014.db2.gz NLSGHTVZOOJMSX-IJDCCNJMSA-N 1 3 307.482 2.335 20 0 DEADHO CC(C)CCCN1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001420838952 1171250838 /nfs/dbraw/zinc/25/08/38/1171250838.db2.gz YXGOLXMIWZPYLU-IAGOWNOFSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CCCN1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001420838952 1171250853 /nfs/dbraw/zinc/25/08/53/1171250853.db2.gz YXGOLXMIWZPYLU-IAGOWNOFSA-N 1 3 309.498 2.486 20 0 DEADHO CCO[C@H](CC[NH+](C)C)CNCc1cccc2c1OCCCO2 ZINC000150980615 1138190327 /nfs/dbraw/zinc/19/03/27/1138190327.db2.gz DOQVYFHBIOXHMB-MRXNPFEDSA-N 1 3 322.449 2.294 20 0 DEADHO COC(=O)c1c(F)ccc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1F ZINC001236322336 1138352132 /nfs/dbraw/zinc/35/21/32/1138352132.db2.gz YHTSNNRJIULNGX-TXEJJXNPSA-N 1 3 324.371 2.183 20 0 DEADHO CS(=O)(=O)c1ccc(C2CCN(CCCC[NH3+])CC2)cc1 ZINC001237017111 1138481595 /nfs/dbraw/zinc/48/15/95/1138481595.db2.gz XJMILYJZDWQCKE-UHFFFAOYSA-N 1 3 310.463 2.008 20 0 DEADHO C[N@@H+]1CCC2(C1)CCN(C[C@H]1COc3ccccc3O1)CC2 ZINC001278059517 1138512109 /nfs/dbraw/zinc/51/21/09/1138512109.db2.gz HDXJPBHYZQOIIO-HNNXBMFYSA-N 1 3 302.418 2.244 20 0 DEADHO C[N@H+]1CCC2(C1)CCN(C[C@H]1COc3ccccc3O1)CC2 ZINC001278059517 1138512113 /nfs/dbraw/zinc/51/21/13/1138512113.db2.gz HDXJPBHYZQOIIO-HNNXBMFYSA-N 1 3 302.418 2.244 20 0 DEADHO CC(C)c1cccc(CN2CCC(=O)N(CC[NH+](C)C)CC2)c1 ZINC001237461021 1138639771 /nfs/dbraw/zinc/63/97/71/1138639771.db2.gz DDHKAKKNKOHEFF-UHFFFAOYSA-N 1 3 317.477 2.406 20 0 DEADHO CCC[NH+](CCC)CCN1CCN(Cc2cn[nH]c2CC)CC1 ZINC001237660201 1138742759 /nfs/dbraw/zinc/74/27/59/1138742759.db2.gz WQVMLMNWGUVUFP-UHFFFAOYSA-N 1 3 321.513 2.212 20 0 DEADHO C[C@@H](CN1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C)CC(F)(F)F ZINC001278185554 1138820531 /nfs/dbraw/zinc/82/05/31/1138820531.db2.gz VWQZNLRULUKSOE-MCIONIFRSA-N 1 3 307.404 2.285 20 0 DEADHO CN(C)C(=O)CN1CCCC2(CC[NH+](CCCCF)CC2)C1 ZINC001278208410 1138836897 /nfs/dbraw/zinc/83/68/97/1138836897.db2.gz WVHZIJUZZQYZKW-UHFFFAOYSA-N 1 3 313.461 2.002 20 0 DEADHO C[C@H](NC(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC001239308219 1139017554 /nfs/dbraw/zinc/01/75/54/1139017554.db2.gz UBVAXNFKORHFBD-DOTOQJQBSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CC2CCC2)CN1C(=O)CN(C)CC(C)(C)C ZINC001369407062 1148941388 /nfs/dbraw/zinc/94/13/88/1148941388.db2.gz RRRZOWGFHJWNMO-GOEBONIOSA-N 1 3 309.498 2.343 20 0 DEADHO CN1CC=C(c2ccc3c(c2)COC2(CC[NH2+]CC2)O3)CC1 ZINC001241322831 1139787811 /nfs/dbraw/zinc/78/78/11/1139787811.db2.gz TYPSEIDQTQNTOC-UHFFFAOYSA-N 1 3 300.402 2.394 20 0 DEADHO CN1CC=C(c2ccc(C(=O)N[C@H]3CC[C@H]([NH3+])CC3)cc2)CC1 ZINC001241333359 1139788617 /nfs/dbraw/zinc/78/86/17/1139788617.db2.gz SJJXIAAYPXYICT-IYARVYRRSA-N 1 3 313.445 2.405 20 0 DEADHO CN1CCC=C(c2cccc(C(=O)N[C@H]3CC[C@H]([NH3+])CC3)c2)C1 ZINC001241571590 1139828684 /nfs/dbraw/zinc/82/86/84/1139828684.db2.gz AKRQTTDSPFAYLM-IYARVYRRSA-N 1 3 313.445 2.405 20 0 DEADHO Fc1c(CN2CCCC2)cccc1-c1cnn(C2C[NH2+]C2)c1 ZINC001241614449 1139835186 /nfs/dbraw/zinc/83/51/86/1139835186.db2.gz OECRYECSMCYGGQ-UHFFFAOYSA-N 1 3 300.381 2.429 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCC(F)(F)F ZINC001319193765 1140522787 /nfs/dbraw/zinc/52/27/87/1140522787.db2.gz FVVUKUMCWNLMLV-OLZOCXBDSA-N 1 3 323.403 2.155 20 0 DEADHO CC(C)Oc1ccccc1OC[C@@H](O)C[NH2+]CC1(N)CCCC1 ZINC001245976644 1140840266 /nfs/dbraw/zinc/84/02/66/1140840266.db2.gz VIEPXKYKUNIXIS-HNNXBMFYSA-N 1 3 322.449 2.075 20 0 DEADHO Cc1ccc(OC[C@H](O)CN2CCCC[C@@](C)(C[NH3+])C2)cc1 ZINC001246025359 1140848957 /nfs/dbraw/zinc/84/89/57/1140848957.db2.gz XKVKFYQIZUTDOG-AEFFLSMTSA-N 1 3 306.450 2.186 20 0 DEADHO O[C@@]1(C[NH2+]C2CCC(Oc3ccccc3)CC2)CCNC[C@@H]1F ZINC001246086530 1140859198 /nfs/dbraw/zinc/85/91/98/1140859198.db2.gz DBLOMFJSUNTUNW-DQVOVIAYSA-N 1 3 322.424 2.029 20 0 DEADHO O[C@@]1(CN[C@@H]2CCc3cc(Cl)ccc3C2)CCCC[NH2+]C1 ZINC001246090993 1140860046 /nfs/dbraw/zinc/86/00/46/1140860046.db2.gz CLBCLQOJLQSGER-SJORKVTESA-N 1 3 308.853 2.292 20 0 DEADHO O[C@@]1(C[NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CCCCNC1 ZINC001246090993 1140860047 /nfs/dbraw/zinc/86/00/47/1140860047.db2.gz CLBCLQOJLQSGER-SJORKVTESA-N 1 3 308.853 2.292 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001246207849 1140873150 /nfs/dbraw/zinc/87/31/50/1140873150.db2.gz ZFDMXIIKLZRTQX-ZACQAIPSSA-N 1 3 301.434 2.037 20 0 DEADHO CC(C)(C)OC(=O)Cc1ccc(CC[NH2+]C2CCNCC2)cc1 ZINC001246322901 1140883796 /nfs/dbraw/zinc/88/37/96/1140883796.db2.gz HVHWICHHYUKMKS-UHFFFAOYSA-N 1 3 318.461 2.455 20 0 DEADHO COc1ccc(CN2CCC([NH2+][C@@H]3CCCNC3)CC2)cc1F ZINC001246359881 1140888280 /nfs/dbraw/zinc/88/82/80/1140888280.db2.gz DHSLYTRXIXPXRY-MRXNPFEDSA-N 1 3 321.440 2.140 20 0 DEADHO COc1ccc(CN2CCC(N[C@@H]3CCC[NH2+]C3)CC2)cc1F ZINC001246359881 1140888281 /nfs/dbraw/zinc/88/82/81/1140888281.db2.gz DHSLYTRXIXPXRY-MRXNPFEDSA-N 1 3 321.440 2.140 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CNCC(C)(C)O2)CN1Cc1ccccc1 ZINC001246411319 1140895160 /nfs/dbraw/zinc/89/51/60/1140895160.db2.gz BOXCPSOBJXTKIW-KBAYOESNSA-N 1 3 317.477 2.006 20 0 DEADHO C[C@@H]1C[C@H](N[C@@H](CN(C)C)C23CC4CC(CC(C4)C2)C3)C[NH2+]1 ZINC001246491789 1140922154 /nfs/dbraw/zinc/92/21/54/1140922154.db2.gz UKFLTPOCWPJKCP-CAMSKFJASA-N 1 3 305.510 2.473 20 0 DEADHO COc1cc2c(cc1OC)[C@H](CNC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246527676 1140936035 /nfs/dbraw/zinc/93/60/35/1140936035.db2.gz UEJXYHAPBVIEHS-RDGKXADDSA-N 1 3 302.418 2.216 20 0 DEADHO CCOC(=O)c1ccc(C[C@@H](C)[N@@H+]2CCNC[C@H](C)C2)cc1 ZINC001246575945 1140977815 /nfs/dbraw/zinc/97/78/15/1140977815.db2.gz YATPGRYWGWGJPK-LSDHHAIUSA-N 1 3 304.434 2.336 20 0 DEADHO CCOC(=O)c1ccc(C[C@@H](C)[N@H+]2CCNC[C@H](C)C2)cc1 ZINC001246575945 1140977826 /nfs/dbraw/zinc/97/78/26/1140977826.db2.gz YATPGRYWGWGJPK-LSDHHAIUSA-N 1 3 304.434 2.336 20 0 DEADHO CCN(CC[NH2+]Cc1ccccc1)C(=O)[C@@H](C(C)C)N(C)C ZINC001320902501 1140981651 /nfs/dbraw/zinc/98/16/51/1140981651.db2.gz USJFHGBRBSPYEB-QGZVFWFLSA-N 1 3 305.466 2.211 20 0 DEADHO NC[C@H]1CCCC[N@@H+]([C@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001246579664 1140984651 /nfs/dbraw/zinc/98/46/51/1140984651.db2.gz CUNOEBHRVKEQFV-MSOLQXFVSA-N 1 3 315.461 2.238 20 0 DEADHO NC[C@H]1CCCC[N@H+]([C@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001246579664 1140984674 /nfs/dbraw/zinc/98/46/74/1140984674.db2.gz CUNOEBHRVKEQFV-MSOLQXFVSA-N 1 3 315.461 2.238 20 0 DEADHO CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2[C@H]2CCN[C@H](C)C2)O1 ZINC001246746293 1141050887 /nfs/dbraw/zinc/05/08/87/1141050887.db2.gz OVPGEBOWYABINE-CWQOZTLDSA-N 1 3 310.482 2.421 20 0 DEADHO CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2[C@H]2CCN[C@H](C)C2)O1 ZINC001246746293 1141050897 /nfs/dbraw/zinc/05/08/97/1141050897.db2.gz OVPGEBOWYABINE-CWQOZTLDSA-N 1 3 310.482 2.421 20 0 DEADHO C[NH2+]CC[C@H](C)N1CCCn2cnc(CNC3CCCC3)c2C1 ZINC001246767161 1141053017 /nfs/dbraw/zinc/05/30/17/1141053017.db2.gz CYJOIXGMQWVQLV-HNNXBMFYSA-N 1 3 319.497 2.119 20 0 DEADHO F[C@@H]1CNCC[C@H]1N(Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246846517 1141085347 /nfs/dbraw/zinc/08/53/47/1141085347.db2.gz OIRCJTGAXCQOOC-RHQZKXFESA-N 1 3 317.452 2.472 20 0 DEADHO CCOC(=O)c1ccc(C[C@H](C)N2CC[C@@H](C[NH2+]C)C2)cc1 ZINC001246861867 1141093920 /nfs/dbraw/zinc/09/39/20/1141093920.db2.gz FNOLYGQLYOPJIB-HOCLYGCPSA-N 1 3 304.434 2.336 20 0 DEADHO CC[C@H](F)CNC/C=C/CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001321315546 1141148965 /nfs/dbraw/zinc/14/89/65/1141148965.db2.gz OTMGMFJKBXTDLX-JFDDCEBESA-N 1 3 313.461 2.117 20 0 DEADHO CC[C@H](F)CNC/C=C\CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001321315547 1141151942 /nfs/dbraw/zinc/15/19/42/1141151942.db2.gz OTMGMFJKBXTDLX-KJPDOMRESA-N 1 3 313.461 2.117 20 0 DEADHO CC(C)(C)c1ccc(-c2noc([C@@H]3CNCC34C[NH2+]C4)n2)cc1 ZINC001247832233 1141543618 /nfs/dbraw/zinc/54/36/18/1141543618.db2.gz WOKOMISZESYFMZ-AWEZNQCLSA-N 1 3 312.417 2.311 20 0 DEADHO Cc1ccccc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001322442623 1141589441 /nfs/dbraw/zinc/58/94/41/1141589441.db2.gz OCRPIRUANLWNNG-KRWDZBQOSA-N 1 3 303.450 2.027 20 0 DEADHO CN(C)C1(C(=O)N(C)CCC[NH2+]Cc2ccccc2)CCC1 ZINC001322543625 1141625479 /nfs/dbraw/zinc/62/54/79/1141625479.db2.gz MFSKFDHJAFBFDD-UHFFFAOYSA-N 1 3 303.450 2.109 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+]CCC2=CCCCC2)CC1 ZINC001323615953 1141870160 /nfs/dbraw/zinc/87/01/60/1141870160.db2.gz DOUZNLNKSQBVCU-UHFFFAOYSA-N 1 3 307.482 2.456 20 0 DEADHO CN1CCN(c2ccc3[nH]c([C@H]4CCC[N@H+](C)C4)nc3c2)CC1 ZINC001250571445 1142240514 /nfs/dbraw/zinc/24/05/14/1142240514.db2.gz ZHEOYVOVHZKTOD-AWEZNQCLSA-N 1 3 313.449 2.124 20 0 DEADHO CN1CCN(c2ccc3[nH]c([C@H]4CCC[N@@H+](C)C4)nc3c2)CC1 ZINC001250571445 1142240530 /nfs/dbraw/zinc/24/05/30/1142240530.db2.gz ZHEOYVOVHZKTOD-AWEZNQCLSA-N 1 3 313.449 2.124 20 0 DEADHO CC(C)c1ccc(OC[C@H](O)CN[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC001250784642 1142313368 /nfs/dbraw/zinc/31/33/68/1142313368.db2.gz FITBKUMKIRVIKA-SUMDDJOVSA-N 1 3 320.477 2.480 20 0 DEADHO CC(C)c1ccc(OC[C@H](O)CN[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC001250784642 1142313375 /nfs/dbraw/zinc/31/33/75/1142313375.db2.gz FITBKUMKIRVIKA-SUMDDJOVSA-N 1 3 320.477 2.480 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@@H](O)COc1cccc(F)c1)C2 ZINC001250826748 1142328742 /nfs/dbraw/zinc/32/87/42/1142328742.db2.gz LAILXRQLJICDRA-YYIAUSFCSA-N 1 3 322.424 2.170 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@@H](O)COc1cccc(F)c1)C2 ZINC001250826748 1142328750 /nfs/dbraw/zinc/32/87/50/1142328750.db2.gz LAILXRQLJICDRA-YYIAUSFCSA-N 1 3 322.424 2.170 20 0 DEADHO OCCCOCCN[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001336753956 1142558974 /nfs/dbraw/zinc/55/89/74/1142558974.db2.gz CCFDRVJURKZXJA-IEBWSBKVSA-N 1 3 318.461 2.343 20 0 DEADHO OCCCOCCN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001336753956 1142558982 /nfs/dbraw/zinc/55/89/82/1142558982.db2.gz CCFDRVJURKZXJA-IEBWSBKVSA-N 1 3 318.461 2.343 20 0 DEADHO CCN(CC)C[C@H](O)C[N@@H+]1CC[C@H](c2ccccc2OC)C1 ZINC001253175073 1142849508 /nfs/dbraw/zinc/84/95/08/1142849508.db2.gz DPPFYHGZWIQIHE-HOTGVXAUSA-N 1 3 306.450 2.187 20 0 DEADHO CCN(CC)C[C@H](O)C[N@H+]1CC[C@H](c2ccccc2OC)C1 ZINC001253175073 1142849510 /nfs/dbraw/zinc/84/95/10/1142849510.db2.gz DPPFYHGZWIQIHE-HOTGVXAUSA-N 1 3 306.450 2.187 20 0 DEADHO CC[NH+](CC)C[C@@H](O)CNc1ccncc1Oc1ccccc1 ZINC001253178559 1142850404 /nfs/dbraw/zinc/85/04/04/1142850404.db2.gz IKNMRJAERHBOOE-HNNXBMFYSA-N 1 3 315.417 2.410 20 0 DEADHO CCN(CC)C[C@@H](O)C[NH2+][C@@H](C)COc1cc(C)cc(C)c1 ZINC001253202344 1142853782 /nfs/dbraw/zinc/85/37/82/1142853782.db2.gz HGGWVCAWBLVEGP-IRXDYDNUSA-N 1 3 308.466 2.363 20 0 DEADHO Cc1[nH]c2ccc(O)cc2c1CCNC[C@H](O)C[NH2+]C(C)(C)C ZINC001253412840 1142870271 /nfs/dbraw/zinc/87/02/71/1142870271.db2.gz UTAYFGDSPBFELD-AWEZNQCLSA-N 1 3 319.449 2.063 20 0 DEADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C[C@@H](O)C(C)(C)C)C2 ZINC001253723157 1142898466 /nfs/dbraw/zinc/89/84/66/1142898466.db2.gz DKAPYRDOKOUPDF-LMMKCTJWSA-N 1 3 324.509 2.074 20 0 DEADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C[C@@H](O)C(C)(C)C)C2 ZINC001253723157 1142898468 /nfs/dbraw/zinc/89/84/68/1142898468.db2.gz DKAPYRDOKOUPDF-LMMKCTJWSA-N 1 3 324.509 2.074 20 0 DEADHO CC(C)[C@H](O)C[N@@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001253768681 1142920707 /nfs/dbraw/zinc/92/07/07/1142920707.db2.gz WKFAYJKIUWDALT-IPMKNSEASA-N 1 3 302.462 2.457 20 0 DEADHO CC(C)[C@H](O)C[N@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001253768681 1142920725 /nfs/dbraw/zinc/92/07/25/1142920725.db2.gz WKFAYJKIUWDALT-IPMKNSEASA-N 1 3 302.462 2.457 20 0 DEADHO CC(C)[C@H](O)CN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001253768681 1142920739 /nfs/dbraw/zinc/92/07/39/1142920739.db2.gz WKFAYJKIUWDALT-IPMKNSEASA-N 1 3 302.462 2.457 20 0 DEADHO CC(C)[C@H](O)CN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001253768681 1142920756 /nfs/dbraw/zinc/92/07/56/1142920756.db2.gz WKFAYJKIUWDALT-IPMKNSEASA-N 1 3 302.462 2.457 20 0 DEADHO Cc1ccc(OC[C@H](O)CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001253845710 1142985818 /nfs/dbraw/zinc/98/58/18/1142985818.db2.gz USJARCJTHYJCCG-ZJPYXAASSA-N 1 3 318.461 2.340 20 0 DEADHO Cc1ccc(OC[C@H](O)CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001253845710 1142985837 /nfs/dbraw/zinc/98/58/37/1142985837.db2.gz USJARCJTHYJCCG-ZJPYXAASSA-N 1 3 318.461 2.340 20 0 DEADHO COC(=O)C[C@H]([NH2+][C@H]1CCCN(C)CC1)c1cccc(OC)c1 ZINC001254511464 1143168859 /nfs/dbraw/zinc/16/88/59/1143168859.db2.gz ADMXBCPULBZGCS-RDJZCZTQSA-N 1 3 320.433 2.373 20 0 DEADHO Cc1cccc(N2CCCN([C@H]3CCC[N@@H+](C)CC3)CC2)n1 ZINC001254529584 1143217892 /nfs/dbraw/zinc/21/78/92/1143217892.db2.gz OGAXSEXJLLLTSH-KRWDZBQOSA-N 1 3 302.466 2.386 20 0 DEADHO Cc1cccc(N2CCCN([C@H]3CCC[N@H+](C)CC3)CC2)n1 ZINC001254529584 1143217931 /nfs/dbraw/zinc/21/79/31/1143217931.db2.gz OGAXSEXJLLLTSH-KRWDZBQOSA-N 1 3 302.466 2.386 20 0 DEADHO Cc1nccnc1O[C@H]1CCC[N@@H+]([C@@H]2CCCN(C)CC2)C1 ZINC001254532077 1143231230 /nfs/dbraw/zinc/23/12/30/1143231230.db2.gz OSVGPTNEEGCBBR-CVEARBPZSA-N 1 3 304.438 2.113 20 0 DEADHO Cc1nccnc1O[C@H]1CCC[N@H+]([C@@H]2CCCN(C)CC2)C1 ZINC001254532077 1143231253 /nfs/dbraw/zinc/23/12/53/1143231253.db2.gz OSVGPTNEEGCBBR-CVEARBPZSA-N 1 3 304.438 2.113 20 0 DEADHO COC(C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)OC ZINC001255127481 1143433345 /nfs/dbraw/zinc/43/33/45/1143433345.db2.gz XEUIWQMZFNSBCF-OSYLJGHBSA-N 1 3 304.434 2.391 20 0 DEADHO CN1CCN(Cc2cccc(C[NH2+][C@@H]3CCSC3)c2)CC1 ZINC001255269450 1143531817 /nfs/dbraw/zinc/53/18/17/1143531817.db2.gz IOGZJWDNNZBICC-QGZVFWFLSA-N 1 3 305.491 2.029 20 0 DEADHO CCN(CC)CC[C@@H](C)[NH2+]C1CCN(c2cc(C)ncn2)CC1 ZINC001255951323 1143816429 /nfs/dbraw/zinc/81/64/29/1143816429.db2.gz IFWGTQQABKXDAI-OAHLLOKOSA-N 1 3 319.497 2.464 20 0 DEADHO CCN1C(=O)CCC12CCN(C1CC[NH+](C3CC3)CC1)CC2 ZINC001256077080 1143827671 /nfs/dbraw/zinc/82/76/71/1143827671.db2.gz MVDHWRSWQUXLMH-UHFFFAOYSA-N 1 3 305.466 2.090 20 0 DEADHO C(CN1CCCCCC1)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256677313 1143861431 /nfs/dbraw/zinc/86/14/31/1143861431.db2.gz BWUIHDPBWLEIQL-UHFFFAOYSA-N 1 3 309.498 2.095 20 0 DEADHO C1CO[C@H]2CC[N@@H+](C3CCC(N4CCOCC4)CC3)C[C@H]2C1 ZINC001256689399 1143862357 /nfs/dbraw/zinc/86/23/57/1143862357.db2.gz VKORWLACOVBXIW-CPFNUKBASA-N 1 3 308.466 2.131 20 0 DEADHO C1CO[C@H]2CC[N@H+](C3CCC(N4CCOCC4)CC3)C[C@H]2C1 ZINC001256689399 1143862359 /nfs/dbraw/zinc/86/23/59/1143862359.db2.gz VKORWLACOVBXIW-CPFNUKBASA-N 1 3 308.466 2.131 20 0 DEADHO C[C@H](CN)C[NH2+]C1CCN(c2ncccc2C(F)(F)F)CC1 ZINC001256881291 1143872857 /nfs/dbraw/zinc/87/28/57/1143872857.db2.gz HJAATOMZVDRPDN-LLVKDONJSA-N 1 3 316.371 2.254 20 0 DEADHO COC(=O)c1ccc(CN)n1[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256904985 1143874375 /nfs/dbraw/zinc/87/43/75/1143874375.db2.gz LWECISRKGKFHHQ-HNNXBMFYSA-N 1 3 305.422 2.313 20 0 DEADHO COC(=O)c1ccc(CN)n1[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256904985 1143874376 /nfs/dbraw/zinc/87/43/76/1143874376.db2.gz LWECISRKGKFHHQ-HNNXBMFYSA-N 1 3 305.422 2.313 20 0 DEADHO C[C@@H]1CC([NH2+]C2CCN(CC3CCOCC3)CC2)C[C@@H](C)O1 ZINC001257083698 1143886207 /nfs/dbraw/zinc/88/62/07/1143886207.db2.gz JRWOOWBCXIAPQS-HUUCEWRRSA-N 1 3 310.482 2.423 20 0 DEADHO COC(=O)CC[C@@H](C)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001258357583 1143995271 /nfs/dbraw/zinc/99/52/71/1143995271.db2.gz KNURLAOYHLTVEK-OAHLLOKOSA-N 1 3 319.449 2.225 20 0 DEADHO COC(=O)[C@H](C[NH3+])CN[C@H](C)Cc1ccc(Cl)cc1Cl ZINC001258674586 1144033344 /nfs/dbraw/zinc/03/33/44/1144033344.db2.gz ANILVYVXMYQGCT-MWLCHTKSSA-N 1 3 319.232 2.262 20 0 DEADHO Cc1noc(CCNC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000382375525 1144387606 /nfs/dbraw/zinc/38/76/06/1144387606.db2.gz HURFBCXNMLHSGM-UHFFFAOYSA-N 1 3 300.406 2.175 20 0 DEADHO CCC/C=C\CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001263820598 1144400389 /nfs/dbraw/zinc/40/03/89/1144400389.db2.gz CGNMSLYJJOQTQC-QVOWHETESA-N 1 3 307.482 2.217 20 0 DEADHO CCC/C=C\CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001263820598 1144400393 /nfs/dbraw/zinc/40/03/93/1144400393.db2.gz CGNMSLYJJOQTQC-QVOWHETESA-N 1 3 307.482 2.217 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001264403262 1144530054 /nfs/dbraw/zinc/53/00/54/1144530054.db2.gz JNDUQGRVJSDYRB-RYQLBKOJSA-N 1 3 319.493 2.313 20 0 DEADHO CC1(C)OC[C@@H](CNC2CC[NH+](CCc3ccccc3)CC2)O1 ZINC000391082159 1144614330 /nfs/dbraw/zinc/61/43/30/1144614330.db2.gz OTLDWISKTDTEIW-GOSISDBHSA-N 1 3 318.461 2.435 20 0 DEADHO C[C@@H]1CCC[NH2+][C@@H]1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000391773997 1144664053 /nfs/dbraw/zinc/66/40/53/1144664053.db2.gz AQCNYDZXWSNERC-NJAFHUGGSA-N 1 3 315.461 2.328 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCCCC(F)(F)F)C1)N(C)C ZINC001265454630 1144704893 /nfs/dbraw/zinc/70/48/93/1144704893.db2.gz XQDMSWKJKZTDQD-QWHCGFSZSA-N 1 3 323.403 2.250 20 0 DEADHO CC(C)(C(=O)N1CCC[C@@H](C[NH2+]CCF)C1)N1CCCCC1 ZINC001265609023 1144717743 /nfs/dbraw/zinc/71/77/43/1144717743.db2.gz IJJKFGXHJWRLLT-HNNXBMFYSA-N 1 3 313.461 2.049 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H](C[NH2+]C/C=C/Cl)C1)N(C)C ZINC001265633600 1144719741 /nfs/dbraw/zinc/71/97/41/1144719741.db2.gz ZQFFBSDXYPHQGZ-OCESRQBRSA-N 1 3 315.889 2.153 20 0 DEADHO Cc1ccc(C[N@@H+](C)CCCNC(=O)CN(C)C(C)C)cc1F ZINC001265978120 1144775281 /nfs/dbraw/zinc/77/52/81/1144775281.db2.gz BVEVFWPFONDPRT-UHFFFAOYSA-N 1 3 323.456 2.412 20 0 DEADHO Cc1ccc(C[N@H+](C)CCCNC(=O)CN(C)C(C)C)cc1F ZINC001265978120 1144775285 /nfs/dbraw/zinc/77/52/85/1144775285.db2.gz BVEVFWPFONDPRT-UHFFFAOYSA-N 1 3 323.456 2.412 20 0 DEADHO CC/C=C/CC[NH+]1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC001266193449 1144812773 /nfs/dbraw/zinc/81/27/73/1144812773.db2.gz KMNYINXXGZFRIV-SNAWJCMRSA-N 1 3 304.438 2.231 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCC(F)(F)F)N(C)C ZINC001280452345 1144840434 /nfs/dbraw/zinc/84/04/34/1144840434.db2.gz ZONYYIIVSFBVOK-OLZOCXBDSA-N 1 3 323.403 2.250 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CCC2CC2)C1)N(C)C ZINC001317162264 1144915128 /nfs/dbraw/zinc/91/51/28/1144915128.db2.gz MTWAOTPBBWUWSV-IRXDYDNUSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)=CC[NH2+][C@H](CCN(C)C(=O)Cc1c[nH]cn1)C(C)C ZINC001282569046 1145088266 /nfs/dbraw/zinc/08/82/66/1145088266.db2.gz RBEUAKNBXKLRLH-MRXNPFEDSA-N 1 3 306.454 2.381 20 0 DEADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccccc2N(C)C)CC1 ZINC001364578323 1145355946 /nfs/dbraw/zinc/35/59/46/1145355946.db2.gz YRLIDGXGIYABRW-QGZVFWFLSA-N 1 3 318.509 2.116 20 0 DEADHO CC[NH+]1CCC(CN2CCN(Cc3cccc(O)c3)CC2)CC1 ZINC001364647689 1145401033 /nfs/dbraw/zinc/40/10/33/1145401033.db2.gz PNFWUHIRNBKCIZ-UHFFFAOYSA-N 1 3 317.477 2.242 20 0 DEADHO Cc1ncsc1CCN1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001364840283 1145621610 /nfs/dbraw/zinc/62/16/10/1145621610.db2.gz XTTOWKHTKARAHZ-UHFFFAOYSA-N 1 3 323.506 2.307 20 0 DEADHO C[C@@H](CC[NH2+]C1CC2(C[C@H]2NC(=O)OC(C)(C)C)C1)N(C)C ZINC001364988196 1145735206 /nfs/dbraw/zinc/73/52/06/1145735206.db2.gz WHWSWZAIZPRHEZ-XCCIUEIHSA-N 1 3 311.470 2.362 20 0 DEADHO CC[C@@H](F)CN[C@H]1CN(C(=O)CCCC[NH+](C)C)CC1(C)C ZINC001284345655 1145839892 /nfs/dbraw/zinc/83/98/92/1145839892.db2.gz BWTFBFKVHPXSCA-CABCVRRESA-N 1 3 315.477 2.293 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC1CCC(C)CC1 ZINC001480475181 1151829303 /nfs/dbraw/zinc/82/93/03/1151829303.db2.gz OYUYSRPKESGEPR-HWOWSKLDSA-N 1 3 309.498 2.391 20 0 DEADHO CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001491827704 1146905595 /nfs/dbraw/zinc/90/55/95/1146905595.db2.gz MUQVIBXDHUXXPI-LZCSOBMZSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C1CC[NH+](CC[C@@H](C)F)CC1)N(C)C ZINC001365931889 1146919027 /nfs/dbraw/zinc/91/90/27/1146919027.db2.gz LSIPPFLWUOTYBH-GDBMZVCRSA-N 1 3 315.477 2.244 20 0 DEADHO C[C@H](N[C@H](CNC(=O)CC[NH+](C)C)C1CC1)c1ccccc1F ZINC001366062025 1147033269 /nfs/dbraw/zinc/03/32/69/1147033269.db2.gz NKTYRVSZIJZICR-SUMWQHHRSA-N 1 3 321.440 2.323 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NC/C=C\Cl)C1 ZINC001366098023 1147053189 /nfs/dbraw/zinc/05/31/89/1147053189.db2.gz HTZWITVIQPJPOT-FEGLDZKKSA-N 1 3 313.873 2.050 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NC/C=C\Cl)C1 ZINC001366098023 1147053193 /nfs/dbraw/zinc/05/31/93/1147053193.db2.gz HTZWITVIQPJPOT-FEGLDZKKSA-N 1 3 313.873 2.050 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001366102080 1147056474 /nfs/dbraw/zinc/05/64/74/1147056474.db2.gz KQBCOKMLQIINKU-KRWDZBQOSA-N 1 3 321.440 2.188 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CCC[N@H+](CC3CCCC3)C2)C1 ZINC001366179608 1147097210 /nfs/dbraw/zinc/09/72/10/1147097210.db2.gz MDYVOZBSTRNULO-AEFFLSMTSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CCC[N@@H+](CC3CCCC3)C2)C1 ZINC001366179608 1147097216 /nfs/dbraw/zinc/09/72/16/1147097216.db2.gz MDYVOZBSTRNULO-AEFFLSMTSA-N 1 3 321.509 2.347 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001366369808 1147239608 /nfs/dbraw/zinc/23/96/08/1147239608.db2.gz UVHMFOKNABFRCR-OAHLLOKOSA-N 1 3 317.477 2.110 20 0 DEADHO CC[C@@H](F)CN[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001366386464 1147246846 /nfs/dbraw/zinc/24/68/46/1147246846.db2.gz QNRWHRYIGWWCCN-SJORKVTESA-N 1 3 321.440 2.300 20 0 DEADHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCC1CCCC1 ZINC001366488458 1147307784 /nfs/dbraw/zinc/30/77/84/1147307784.db2.gz QSCBJMRGVMDJFQ-CVEARBPZSA-N 1 3 309.498 2.393 20 0 DEADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001366491957 1147309873 /nfs/dbraw/zinc/30/98/73/1147309873.db2.gz ZFFCLTRBRZBLEC-YOEHRIQHSA-N 1 3 323.456 2.459 20 0 DEADHO Cc1ccccc1CN(C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001366554490 1147348716 /nfs/dbraw/zinc/34/87/16/1147348716.db2.gz RBNJDCWLPASILB-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](C)[C@@H]1CCc2c1cccc2F)N(C)C ZINC001366564546 1147357770 /nfs/dbraw/zinc/35/77/70/1147357770.db2.gz VPNMEBWDJJSMDT-DLBZAZTESA-N 1 3 321.440 2.201 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](C)[C@@H]1CCc2c1cccc2F)N(C)C ZINC001366564546 1147357775 /nfs/dbraw/zinc/35/77/75/1147357775.db2.gz VPNMEBWDJJSMDT-DLBZAZTESA-N 1 3 321.440 2.201 20 0 DEADHO Cc1ccc(C)c([C@@H](C)[NH2+]CCN(C)C(=O)Cc2c[nH]cn2)c1 ZINC001366777279 1147554772 /nfs/dbraw/zinc/55/47/72/1147554772.db2.gz XPTBKPHDKSYWAS-OAHLLOKOSA-N 1 3 314.433 2.378 20 0 DEADHO C[C@@H]([NH2+]CCC1CC1)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001366788652 1147560760 /nfs/dbraw/zinc/56/07/60/1147560760.db2.gz FAQIFRNJCOTFDP-RHSMWYFYSA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)C1(C(=O)NCCC[N@H+](C)C[C@@H]2CC[C@H]3C[C@H]3C2)CCC1 ZINC001316829810 1147609990 /nfs/dbraw/zinc/60/99/90/1147609990.db2.gz KBRCZDQTJCBZLM-IXDOHACOSA-N 1 3 321.509 2.345 20 0 DEADHO CN(C)C1(C(=O)NCCC[N@@H+](C)C[C@@H]2CC[C@H]3C[C@H]3C2)CCC1 ZINC001316829810 1147609994 /nfs/dbraw/zinc/60/99/94/1147609994.db2.gz KBRCZDQTJCBZLM-IXDOHACOSA-N 1 3 321.509 2.345 20 0 DEADHO CN(CCCNC(=O)CC[NH+]1CCCCC1)CCC(F)(F)F ZINC001316871310 1147617655 /nfs/dbraw/zinc/61/76/55/1147617655.db2.gz WCGVIZBPWOOROR-UHFFFAOYSA-N 1 3 323.403 2.253 20 0 DEADHO CN(CC(=O)NCC1C[NH+](CCCC(C)(C)C)C1)C1CCC1 ZINC001366968041 1147626536 /nfs/dbraw/zinc/62/65/36/1147626536.db2.gz BICCGEJJPISMTB-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1C[NH+](CC2CC(C)(C)C2)C1 ZINC001366990789 1147629388 /nfs/dbraw/zinc/62/93/88/1147629388.db2.gz WVHVWBVXPDIJDA-GJZGRUSLSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)=CCN1CCC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001316944114 1147636352 /nfs/dbraw/zinc/63/63/52/1147636352.db2.gz NYYRTDQODQBGLC-DLBZAZTESA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)=CCN1CCC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001316944114 1147636354 /nfs/dbraw/zinc/63/63/54/1147636354.db2.gz NYYRTDQODQBGLC-DLBZAZTESA-N 1 3 307.482 2.408 20 0 DEADHO CC[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CCC(F)(F)F ZINC001367113923 1147651669 /nfs/dbraw/zinc/65/16/69/1147651669.db2.gz OYKGFJSKQSNZAE-LBPRGKRZSA-N 1 3 323.403 2.298 20 0 DEADHO C[C@H](C[NH2+]CC1CCC2(CC2)CC1)N(C)C(=O)[C@@H]1CCCN1C ZINC001367362555 1147684362 /nfs/dbraw/zinc/68/43/62/1147684362.db2.gz UOTLEVRFFKWZEA-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCCC2CCCC2)C1 ZINC001317313311 1147689555 /nfs/dbraw/zinc/68/95/55/1147689555.db2.gz PELICWRSEWEQSG-QZTJIDSGSA-N 1 3 321.509 2.489 20 0 DEADHO Cc1ccc(F)c(CNC[C@H](C)N(C)C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001367408738 1147690324 /nfs/dbraw/zinc/69/03/24/1147690324.db2.gz VCMRCWURXYOCGM-LSDHHAIUSA-N 1 3 321.440 2.022 20 0 DEADHO Cc1ccc(F)c(CNC[C@H](C)N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001367408738 1147690326 /nfs/dbraw/zinc/69/03/26/1147690326.db2.gz VCMRCWURXYOCGM-LSDHHAIUSA-N 1 3 321.440 2.022 20 0 DEADHO C[C@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)C(C)(C)N1CCCC1 ZINC001367694549 1147728207 /nfs/dbraw/zinc/72/82/07/1147728207.db2.gz SZQXVGCWFFHPLB-GFCCVEGCSA-N 1 3 317.424 2.000 20 0 DEADHO CN(CC[NH2+]CC/C=C/c1ccccc1)C(=O)CN1CCCC1 ZINC001317661586 1147740449 /nfs/dbraw/zinc/74/04/49/1147740449.db2.gz ORQXDTYDXUEKJA-VZUCSPMQSA-N 1 3 315.461 2.234 20 0 DEADHO CC(C)=CC[N@@H+](C)C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001317840056 1147756863 /nfs/dbraw/zinc/75/68/63/1147756863.db2.gz NSCABPBQZORMGK-INIZCTEOSA-N 1 3 307.482 2.217 20 0 DEADHO CC(C)=CC[N@H+](C)C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001317840056 1147756865 /nfs/dbraw/zinc/75/68/65/1147756865.db2.gz NSCABPBQZORMGK-INIZCTEOSA-N 1 3 307.482 2.217 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[N@H+](C)CCc1cccs1)N(C)C ZINC001367855976 1147761871 /nfs/dbraw/zinc/76/18/71/1147761871.db2.gz ZWLALXDHQAJWLK-UKRRQHHQSA-N 1 3 311.495 2.067 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[N@@H+](C)CCc1cccs1)N(C)C ZINC001367855976 1147761873 /nfs/dbraw/zinc/76/18/73/1147761873.db2.gz ZWLALXDHQAJWLK-UKRRQHHQSA-N 1 3 311.495 2.067 20 0 DEADHO O=C(CCCC[NH+]1CCCC1)N1C[C@@H]2C[C@H]1CN2CCC1CC1 ZINC001318232402 1147802279 /nfs/dbraw/zinc/80/22/79/1147802279.db2.gz HLARYDNEWUBFGX-ROUUACIJSA-N 1 3 319.493 2.338 20 0 DEADHO CC(C)(C(=O)NCC1([NH2+]CC2CCC2)CC1)N1CCCCC1 ZINC001368001644 1147824439 /nfs/dbraw/zinc/82/44/39/1147824439.db2.gz FWGBZGWOYKXPOR-UHFFFAOYSA-N 1 3 307.482 2.289 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+][C@H](C)c2cccc(F)c2)CC1)N(C)C ZINC001368015062 1147829186 /nfs/dbraw/zinc/82/91/86/1147829186.db2.gz RCZTWSVVNHDWCL-CZUORRHYSA-N 1 3 321.440 2.465 20 0 DEADHO CCc1cccc(C[NH2+]C2(CNC(=O)[C@@H](CC)N(C)C)CC2)c1 ZINC001368026594 1147834820 /nfs/dbraw/zinc/83/48/20/1147834820.db2.gz GQBDHRDQIBMYNO-QGZVFWFLSA-N 1 3 317.477 2.328 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC1([NH2+]CCC2CC2)CC1 ZINC001368030276 1147836337 /nfs/dbraw/zinc/83/63/37/1147836337.db2.gz KGGJOVBBKZUNEM-INIZCTEOSA-N 1 3 307.482 2.288 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1[C@H]1CC[N@H+](CC2CC2)C1 ZINC001368040929 1147839177 /nfs/dbraw/zinc/83/91/77/1147839177.db2.gz BWXISDYJGDPYQZ-ZWKOTPCHSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001368040929 1147839180 /nfs/dbraw/zinc/83/91/80/1147839180.db2.gz BWXISDYJGDPYQZ-ZWKOTPCHSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)=CC[NH2+]CC[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001326365657 1148085495 /nfs/dbraw/zinc/08/54/95/1148085495.db2.gz UDDOZPHNGAMUGI-IRXDYDNUSA-N 1 3 307.482 2.123 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCC(F)(F)F)C[C@@H]1C ZINC001368105228 1148229578 /nfs/dbraw/zinc/22/95/78/1148229578.db2.gz LNFBCNLNHGODBJ-STQMWFEESA-N 1 3 323.403 2.250 20 0 DEADHO CCCN(C)CC(=O)NC1(C)CC[NH+](CC2CC(C)C2)CC1 ZINC001368128999 1148259502 /nfs/dbraw/zinc/25/95/02/1148259502.db2.gz VHJZWTBDWQIBQY-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)C2CCN(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000278301228 214076377 /nfs/dbraw/zinc/07/63/77/214076377.db2.gz RZFVRZAMLQCQGI-YJBOKZPZSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H](Cn1cccn1)NCc1ccccc1OCC[NH+](C)C ZINC000138249754 282099024 /nfs/dbraw/zinc/09/90/24/282099024.db2.gz LEMDJOWZUZJKGY-OAHLLOKOSA-N 1 3 302.422 2.002 20 0 DEADHO CN(C)CCOc1ccccc1CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422833588 282111117 /nfs/dbraw/zinc/11/11/17/282111117.db2.gz YZKPIIZJEPCTBQ-IAGOWNOFSA-N 1 3 305.466 2.377 20 0 DEADHO CN(C)C[C@@H](NC(=O)CC1(C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000423778449 282116927 /nfs/dbraw/zinc/11/69/27/282116927.db2.gz SYMACOMMQIAHDW-CQSZACIVSA-N 1 3 309.841 2.188 20 0 DEADHO CC[C@@H](C)N[C@H](CNC(=O)N1CCC(C[NH3+])CC1)c1ccco1 ZINC000418169499 529375425 /nfs/dbraw/zinc/37/54/25/529375425.db2.gz QALKNTIBLRHERI-UKRRQHHQSA-N 1 3 322.453 2.089 20 0 DEADHO C[C@@]1(NC(=O)NCCN2CCC3(CCCCC3)CC2)CC[NH2+]C1 ZINC000612907063 361947946 /nfs/dbraw/zinc/94/79/46/361947946.db2.gz MDCITTGWOHLYOM-QGZVFWFLSA-N 1 3 322.497 2.084 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@]1(C)CC[NH2+]C1)N(C)C ZINC000612909790 361948756 /nfs/dbraw/zinc/94/87/56/361948756.db2.gz OWNDCTPPXOEEMF-UWWQBHOKSA-N 1 3 318.465 2.037 20 0 DEADHO COC[C@H](Cc1ccccc1)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278712903 214345687 /nfs/dbraw/zinc/34/56/87/214345687.db2.gz VRDWETPWPPCLHS-MJGOQNOKSA-N 1 3 320.477 2.335 20 0 DEADHO COC[C@H](Cc1ccccc1)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000278712903 214345689 /nfs/dbraw/zinc/34/56/89/214345689.db2.gz VRDWETPWPPCLHS-MJGOQNOKSA-N 1 3 320.477 2.335 20 0 DEADHO CC[C@@H]([NH3+])CNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000417353577 529561628 /nfs/dbraw/zinc/56/16/28/529561628.db2.gz JLBKQGHOAQOVRT-SJORKVTESA-N 1 3 318.465 2.168 20 0 DEADHO CC[C@H](NCC1(N2CCCCC2)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422951752 529592730 /nfs/dbraw/zinc/59/27/30/529592730.db2.gz AAOPLGAJMMTIFO-IRXDYDNUSA-N 1 3 309.498 2.142 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000417832208 529616006 /nfs/dbraw/zinc/61/60/06/529616006.db2.gz KXWQOJGDQJISEQ-HPBDAGMYSA-N 1 3 315.461 2.286 20 0 DEADHO CCc1ccc(CN(C)C(=O)CN2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443076515 529633107 /nfs/dbraw/zinc/63/31/07/529633107.db2.gz SOMJIWSDCCRGLU-QGZVFWFLSA-N 1 3 317.477 2.268 20 0 DEADHO CN(CCN(C)C1CC1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418461776 529901670 /nfs/dbraw/zinc/90/16/70/529901670.db2.gz MJBJFBPGPGJDAU-UHFFFAOYSA-N 1 3 310.486 2.034 20 0 DEADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448259789 529948503 /nfs/dbraw/zinc/94/85/03/529948503.db2.gz GWFSNDOPUMAXOC-HZPDHXFCSA-N 1 3 324.513 2.090 20 0 DEADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448259789 529948505 /nfs/dbraw/zinc/94/85/05/529948505.db2.gz GWFSNDOPUMAXOC-HZPDHXFCSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000195113143 282367999 /nfs/dbraw/zinc/36/79/99/282367999.db2.gz UAVGXQCOAGWQMJ-DNVCBOLYSA-N 1 3 318.461 2.158 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+]2CCC[C@@H](CCO)C2)cc1 ZINC000093105860 539429455 /nfs/dbraw/zinc/42/94/55/539429455.db2.gz VCKRVYXCRCCMAZ-INIZCTEOSA-N 1 3 306.450 2.221 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+]2CCC[C@@H](CCO)C2)cc1 ZINC000093105860 539429459 /nfs/dbraw/zinc/42/94/59/539429459.db2.gz VCKRVYXCRCCMAZ-INIZCTEOSA-N 1 3 306.450 2.221 20 0 DEADHO Clc1cc2c(c(Cl)c1)[C@H](NCCN1CC[NH2+]CC1)CC2 ZINC000423207110 282500918 /nfs/dbraw/zinc/50/09/18/282500918.db2.gz QZNMJJWOTPLLDI-CQSZACIVSA-N 1 3 314.260 2.476 20 0 DEADHO CCN1CC[C@@H](NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000616307528 362822805 /nfs/dbraw/zinc/82/28/05/362822805.db2.gz QXKZRXKTGQPMQF-QZTJIDSGSA-N 1 3 315.461 2.076 20 0 DEADHO NC(=O)N[C@@H]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000331305866 233014789 /nfs/dbraw/zinc/01/47/89/233014789.db2.gz AWBMABHPHMMXRU-QGZVFWFLSA-N 1 3 316.449 2.329 20 0 DEADHO CC(C)C[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000236720557 539738901 /nfs/dbraw/zinc/73/89/01/539738901.db2.gz ZXDRUZPUHJLSQF-ZWKOTPCHSA-N 1 3 317.477 2.041 20 0 DEADHO CC(C)C[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000236720557 539738906 /nfs/dbraw/zinc/73/89/06/539738906.db2.gz ZXDRUZPUHJLSQF-ZWKOTPCHSA-N 1 3 317.477 2.041 20 0 DEADHO COc1ccc([C@H](CNC(=O)CC(C)(C)[NH3+])N2CCCC2)cc1 ZINC000237256634 539744839 /nfs/dbraw/zinc/74/48/39/539744839.db2.gz FAGVPDGZNXOPDD-INIZCTEOSA-N 1 3 319.449 2.076 20 0 DEADHO C[C@H]1C[C@H](NC(=O)CC2([NH3+])CCC2)CN1Cc1ccccc1 ZINC000237562612 539746700 /nfs/dbraw/zinc/74/67/00/539746700.db2.gz HHCJFMVNOUFOOF-HOCLYGCPSA-N 1 3 301.434 2.037 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)CC2([NH3+])CCC2)CCN1Cc1ccccc1 ZINC000237530087 539746872 /nfs/dbraw/zinc/74/68/72/539746872.db2.gz AJXQLZXJKQDDGI-RDJZCZTQSA-N 1 3 315.461 2.427 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(C)[C@H]2CCN(C(C)C)C2)C1 ZINC000458530808 535130440 /nfs/dbraw/zinc/13/04/40/535130440.db2.gz IMRJQXRVHPKLGA-IRXDYDNUSA-N 1 3 324.513 2.088 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N(C)[C@H]2CCN(C(C)C)C2)C1 ZINC000458530808 535130449 /nfs/dbraw/zinc/13/04/49/535130449.db2.gz IMRJQXRVHPKLGA-IRXDYDNUSA-N 1 3 324.513 2.088 20 0 DEADHO CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H](N)C(C)C)cc1 ZINC000164305357 186154967 /nfs/dbraw/zinc/15/49/67/186154967.db2.gz PNPJAGKDQVFWRH-INIZCTEOSA-N 1 3 307.438 2.329 20 0 DEADHO CC[NH+](CC)C[C@H](C)NC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000625943923 365967889 /nfs/dbraw/zinc/96/78/89/365967889.db2.gz YMMZXZBQYNSGIH-ZDUSSCGKSA-N 1 3 320.437 2.020 20 0 DEADHO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)N1CCCCCC1 ZINC000616995284 362985903 /nfs/dbraw/zinc/98/59/03/362985903.db2.gz ONJXEBBADAFKIU-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)N1CCCCCC1 ZINC000616995284 362985908 /nfs/dbraw/zinc/98/59/08/362985908.db2.gz ONJXEBBADAFKIU-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000172712952 198140531 /nfs/dbraw/zinc/14/05/31/198140531.db2.gz GREDPVPAMVYORL-QGZVFWFLSA-N 1 3 303.450 2.056 20 0 DEADHO CC(C)(CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)C1(O)CCCC1 ZINC000333286800 539954859 /nfs/dbraw/zinc/95/48/59/539954859.db2.gz NMNSYKONSLORII-ARFHVFGLSA-N 1 3 310.482 2.064 20 0 DEADHO C[C@H](C[NH2+]Cc1ccsc1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001421938332 1172155352 /nfs/dbraw/zinc/15/53/52/1172155352.db2.gz FXTRGOOJKJNLFF-ZIAGYGMSSA-N 1 3 309.479 2.026 20 0 DEADHO OC[C@@H](Cc1ccccc1)N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000317879970 282880141 /nfs/dbraw/zinc/88/01/41/282880141.db2.gz YVZAKXNICZGWLD-NCXUSEDFSA-N 1 3 302.462 2.490 20 0 DEADHO COC1(C[C@@H](C)[NH2+]Cc2ccncc2OCCN(C)C)CCC1 ZINC000343992019 540008967 /nfs/dbraw/zinc/00/89/67/540008967.db2.gz QQRUMCUXBYXWSJ-OAHLLOKOSA-N 1 3 321.465 2.459 20 0 DEADHO C[C@H](CNC[C@@H]1C[NH2+]C[C@@H]1O)Cc1ccc(C(C)(C)C)cc1 ZINC000345992264 540014751 /nfs/dbraw/zinc/01/47/51/540014751.db2.gz APKJUAXUADDDEP-LESCRADOSA-N 1 3 304.478 2.333 20 0 DEADHO CCN(C(=O)c1cccc(CN(C)C)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000617928105 363314693 /nfs/dbraw/zinc/31/46/93/363314693.db2.gz JLPCMPHZDBJDEH-QGZVFWFLSA-N 1 3 303.450 2.305 20 0 DEADHO CCN(C(=O)c1cccc(CN(C)C)c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000617928105 363314698 /nfs/dbraw/zinc/31/46/98/363314698.db2.gz JLPCMPHZDBJDEH-QGZVFWFLSA-N 1 3 303.450 2.305 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)C[C@H]2CSCC[NH2+]2)cc1 ZINC000236767088 202000090 /nfs/dbraw/zinc/00/00/90/202000090.db2.gz PNKSGRFUODJOJS-JKSUJKDBSA-N 1 3 321.490 2.021 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000357877230 535255707 /nfs/dbraw/zinc/25/57/07/535255707.db2.gz UPKUMLWMGYNDME-QAPCUYQASA-N 1 3 305.466 2.444 20 0 DEADHO CC[NH+](CC)Cc1ccc(C(=O)NC2CCN(C)CC2)cc1 ZINC000054147901 354455112 /nfs/dbraw/zinc/45/51/12/354455112.db2.gz CEXZMGXYLLLDKN-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO C[C@H](C(=O)N1CCCCCC1)N1CCC(CC[NH+](C)C)CC1 ZINC000056524043 354536091 /nfs/dbraw/zinc/53/60/91/354536091.db2.gz GTQCGJTYQVBXHU-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@H](C(=O)NCc1ccccc1)N1CCC(CC[NH+](C)C)CC1 ZINC000056523679 354536125 /nfs/dbraw/zinc/53/61/25/354536125.db2.gz NGWFMUNKRHHVTM-INIZCTEOSA-N 1 3 317.477 2.355 20 0 DEADHO C[C@H]1CCC[C@H](C)N1C(=O)CN1CCC(CC[NH+](C)C)CC1 ZINC000056525128 354536259 /nfs/dbraw/zinc/53/62/59/354536259.db2.gz BGUKRLDTLDPWRQ-HOTGVXAUSA-N 1 3 309.498 2.440 20 0 DEADHO CCC[NH+]1CCC(N(C)C(=O)NCCN2CCC(C)CC2)CC1 ZINC000066178433 354703367 /nfs/dbraw/zinc/70/33/67/354703367.db2.gz CIWFKZBCTBKWQF-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO CCC[C@@H](N)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000236808273 202020968 /nfs/dbraw/zinc/02/09/68/202020968.db2.gz YEKGZFBLBQJMKT-OAHLLOKOSA-N 1 3 302.422 2.269 20 0 DEADHO CC(C)N1CCC([N@H+](C)C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000073895207 354990590 /nfs/dbraw/zinc/99/05/90/354990590.db2.gz KGKGKAZFVMTTRB-KRWDZBQOSA-N 1 3 324.440 2.370 20 0 DEADHO CC(C)N1CCC([N@@H+](C)C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000073895207 354990594 /nfs/dbraw/zinc/99/05/94/354990594.db2.gz KGKGKAZFVMTTRB-KRWDZBQOSA-N 1 3 324.440 2.370 20 0 DEADHO C[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)N1CCCCCC1 ZINC000074317285 355021809 /nfs/dbraw/zinc/02/18/09/355021809.db2.gz HZPIVTFXRHNLER-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)N1CCCCCC1 ZINC000074317285 355021810 /nfs/dbraw/zinc/02/18/10/355021810.db2.gz HZPIVTFXRHNLER-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO COc1cc(NCCN[C@H]2CC[N@H+](C)C[C@@H]2C)cc(OC)c1 ZINC000090719339 355567223 /nfs/dbraw/zinc/56/72/23/355567223.db2.gz FAHGKDBNUFYBLF-GUYCJALGSA-N 1 3 307.438 2.046 20 0 DEADHO COc1cc(NCCN[C@H]2CC[N@@H+](C)C[C@@H]2C)cc(OC)c1 ZINC000090719339 355567224 /nfs/dbraw/zinc/56/72/24/355567224.db2.gz FAHGKDBNUFYBLF-GUYCJALGSA-N 1 3 307.438 2.046 20 0 DEADHO CO[C@@H]1CCN(CC[C@H](C)[N@@H+]2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000451565207 540190600 /nfs/dbraw/zinc/19/06/00/540190600.db2.gz LIDNYHLOZYVWHN-RZFLPCETSA-N 1 3 312.498 2.479 20 0 DEADHO CO[C@@H]1CCN(CC[C@H](C)[N@H+]2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000451565207 540190602 /nfs/dbraw/zinc/19/06/02/540190602.db2.gz LIDNYHLOZYVWHN-RZFLPCETSA-N 1 3 312.498 2.479 20 0 DEADHO CO[C@@H]1CC[N@@H+](CC[C@H](C)N2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000451565207 540190605 /nfs/dbraw/zinc/19/06/05/540190605.db2.gz LIDNYHLOZYVWHN-RZFLPCETSA-N 1 3 312.498 2.479 20 0 DEADHO CO[C@@H]1CC[N@H+](CC[C@H](C)N2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000451565207 540190607 /nfs/dbraw/zinc/19/06/07/540190607.db2.gz LIDNYHLOZYVWHN-RZFLPCETSA-N 1 3 312.498 2.479 20 0 DEADHO CC(C)Cc1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000103211828 355714488 /nfs/dbraw/zinc/71/44/88/355714488.db2.gz HXUOPUWFRYYHCF-UHFFFAOYSA-N 1 3 319.493 2.451 20 0 DEADHO Cc1ccc(NC(=O)CC[NH2+]C(C)C)c(OCCN(C)C)c1 ZINC000169087821 355979141 /nfs/dbraw/zinc/97/91/41/355979141.db2.gz YLYVCFVQYOONDC-UHFFFAOYSA-N 1 3 307.438 2.262 20 0 DEADHO COCC1=CCN(CCCC[N@H+]2CC=C(COC)CC2)CC1 ZINC000185839237 356212266 /nfs/dbraw/zinc/21/22/66/356212266.db2.gz DBFNDYJFDUSGRY-UHFFFAOYSA-N 1 3 308.466 2.324 20 0 DEADHO COCC1=CCN(CCCC[N@@H+]2CC=C(COC)CC2)CC1 ZINC000185839237 356212269 /nfs/dbraw/zinc/21/22/69/356212269.db2.gz DBFNDYJFDUSGRY-UHFFFAOYSA-N 1 3 308.466 2.324 20 0 DEADHO C[C@@H](CCNC(=O)NC1CCN(C2CC2)CC1)[NH+]1CCCCC1 ZINC000184777218 356197885 /nfs/dbraw/zinc/19/78/85/356197885.db2.gz SFDOJQDWPRGJTG-HNNXBMFYSA-N 1 3 322.497 2.177 20 0 DEADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)CNC2CC2)CC1 ZINC000237192155 356295304 /nfs/dbraw/zinc/29/53/04/356295304.db2.gz QYPBEPQZYZEWJN-UHFFFAOYSA-N 1 3 315.461 2.109 20 0 DEADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)CNC2CC2)CC1 ZINC000237192155 356295310 /nfs/dbraw/zinc/29/53/10/356295310.db2.gz QYPBEPQZYZEWJN-UHFFFAOYSA-N 1 3 315.461 2.109 20 0 DEADHO CC(C)[C@H](C(=O)Nc1ccc(OCCN(C)C)cc1)[C@H](C)[NH3+] ZINC000399674821 283153878 /nfs/dbraw/zinc/15/38/78/283153878.db2.gz TWOJQYSKCXHVLU-BBRMVZONSA-N 1 3 307.438 2.185 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCCN1)Cc1ccccc1 ZINC000236828529 202028825 /nfs/dbraw/zinc/02/88/25/202028825.db2.gz YFMXWGKMEJXJDG-MSOLQXFVSA-N 1 3 317.477 2.198 20 0 DEADHO CCC[C@@H]([NH3+])C(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000236953195 202091879 /nfs/dbraw/zinc/09/18/79/202091879.db2.gz XXDRCAHVXVTJME-IAGOWNOFSA-N 1 3 303.450 2.067 20 0 DEADHO Cc1ccc(F)c(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423155589 283195858 /nfs/dbraw/zinc/19/58/58/283195858.db2.gz QUZRGQHKPFKUDG-KBAYOESNSA-N 1 3 306.425 2.423 20 0 DEADHO C[C@H](CC(=O)N(C)[C@H](C)C1CCN(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000423768375 283197953 /nfs/dbraw/zinc/19/79/53/283197953.db2.gz XDCPOWNCHCFDKR-INMHGKMJSA-N 1 3 309.498 2.201 20 0 DEADHO CN(C)C[C@@H](NC(=O)C[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000237017180 202123706 /nfs/dbraw/zinc/12/37/06/202123706.db2.gz YMBDAHDBYMCWLM-ZWKOTPCHSA-N 1 3 311.429 2.496 20 0 DEADHO C[NH+](C)CCCOc1cccc(NC(=O)[C@]2(C)CCCCN2)c1 ZINC000237109393 202155633 /nfs/dbraw/zinc/15/56/33/202155633.db2.gz DIAOQQZHFJMGPA-SFHVURJKSA-N 1 3 319.449 2.488 20 0 DEADHO CCC[NH+](CCC)CCCN[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000351979067 283214162 /nfs/dbraw/zinc/21/41/62/283214162.db2.gz HJOWANRSRJQFJB-HZPDHXFCSA-N 1 3 318.527 2.444 20 0 DEADHO CN(C)CCN1CCC([NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000237166216 202172756 /nfs/dbraw/zinc/17/27/56/202172756.db2.gz NUYVNNHOFAGVHS-UHFFFAOYSA-N 1 3 300.450 2.284 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CC23CC[NH2+]CC3)N(C)C)cc1 ZINC000237194485 202185220 /nfs/dbraw/zinc/18/52/20/202185220.db2.gz QDRVCFIGAKEISI-DLBZAZTESA-N 1 3 315.461 2.104 20 0 DEADHO C[NH+](C)CCOc1ccc(NC(=O)[C@@]2(C)CCCCN2)cc1 ZINC000237198222 202187328 /nfs/dbraw/zinc/18/73/28/202187328.db2.gz HHJWBSQRAAFLEJ-QGZVFWFLSA-N 1 3 305.422 2.098 20 0 DEADHO C[NH2+]C[C@@H](C)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000237203557 202188768 /nfs/dbraw/zinc/18/87/68/202188768.db2.gz RTQPBFUAMBDCIY-SJLPKXTDSA-N 1 3 317.477 2.431 20 0 DEADHO CNCC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000237244425 202202757 /nfs/dbraw/zinc/20/27/57/202202757.db2.gz OSEWDNBYHUIJGB-GASCZTMLSA-N 1 3 303.450 2.000 20 0 DEADHO CNCC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000237244425 202202760 /nfs/dbraw/zinc/20/27/60/202202760.db2.gz OSEWDNBYHUIJGB-GASCZTMLSA-N 1 3 303.450 2.000 20 0 DEADHO CCN(Cc1cccc(F)c1)C(=O)CN1CCC([C@H](C)[NH3+])CC1 ZINC000430950957 283257492 /nfs/dbraw/zinc/25/74/92/283257492.db2.gz SZOKYEHWAHCIFB-AWEZNQCLSA-N 1 3 321.440 2.233 20 0 DEADHO C[C@@H](CNC(=O)N(C)[C@@H](C)C1CCN(C)CC1)C[NH+]1CCCC1 ZINC000351700396 295947849 /nfs/dbraw/zinc/94/78/49/295947849.db2.gz RBPIJXFSLYIUFV-HOTGVXAUSA-N 1 3 324.513 2.090 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccccc1Cl ZINC000590798321 357614013 /nfs/dbraw/zinc/61/40/13/357614013.db2.gz IMRXRBFXOBOWLS-UHFFFAOYSA-N 1 3 312.845 2.297 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000591447514 357725027 /nfs/dbraw/zinc/72/50/27/357725027.db2.gz OMJHUOIVVXQZNO-ZWKOTPCHSA-N 1 3 315.461 2.109 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000591447514 357725030 /nfs/dbraw/zinc/72/50/30/357725030.db2.gz OMJHUOIVVXQZNO-ZWKOTPCHSA-N 1 3 315.461 2.109 20 0 DEADHO CCOC(=O)C1([C@@H](C)NCc2cc(C(C)C)no2)CC[NH2+]CC1 ZINC000591567840 357736535 /nfs/dbraw/zinc/73/65/35/357736535.db2.gz WHXAIFPMMFOBSK-CYBMUJFWSA-N 1 3 323.437 2.209 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000591865249 357769409 /nfs/dbraw/zinc/76/94/09/357769409.db2.gz OAYDNOXBPIPFDK-ZWKOTPCHSA-N 1 3 315.461 2.282 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000591865249 357769416 /nfs/dbraw/zinc/76/94/16/357769416.db2.gz OAYDNOXBPIPFDK-ZWKOTPCHSA-N 1 3 315.461 2.282 20 0 DEADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654487557 540288287 /nfs/dbraw/zinc/28/82/87/540288287.db2.gz MQMCQJDRSSTIDK-ZACQAIPSSA-N 1 3 322.497 2.177 20 0 DEADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000654487455 540288381 /nfs/dbraw/zinc/28/83/81/540288381.db2.gz JAYOXGXZNCGNDG-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO CCCN(C(=O)N[C@H]1CCCN2CCCC[C@H]12)C1CC[NH2+]CC1 ZINC000655974246 540297668 /nfs/dbraw/zinc/29/76/68/540297668.db2.gz OHDSAJZSURBQNG-DLBZAZTESA-N 1 3 322.497 2.177 20 0 DEADHO O[C@H]1CCN(Cc2ccc(C[NH2+]C3CC(CF)(CF)C3)cc2)C1 ZINC000658138921 540307459 /nfs/dbraw/zinc/30/74/59/540307459.db2.gz OXAQCDMZXZMYQA-KRWDZBQOSA-N 1 3 324.415 2.431 20 0 DEADHO COC(=O)c1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)[nH]1 ZINC000592433834 357876111 /nfs/dbraw/zinc/87/61/11/357876111.db2.gz ZMSWZYSQCJMVRS-ZIAGYGMSSA-N 1 3 305.422 2.013 20 0 DEADHO [NH3+]CCC[C@@H](NC(=O)c1cccc2c1CNC2)c1ccccc1 ZINC000662572407 540332010 /nfs/dbraw/zinc/33/20/10/540332010.db2.gz XKHPRZMAZNIHBM-GOSISDBHSA-N 1 3 309.413 2.500 20 0 DEADHO CC1(C)CC[NH2+][C@@H]1C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000662690970 540333652 /nfs/dbraw/zinc/33/36/52/540333652.db2.gz POLWSOPUCFJJRP-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CC1(C)CC[NH2+][C@H]1C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000662690967 540334015 /nfs/dbraw/zinc/33/40/15/540334015.db2.gz POLWSOPUCFJJRP-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CCC[NH+]1CCC(N(C)C(=O)c2cc3c(s2)CCNC3)CC1 ZINC000662689790 540334023 /nfs/dbraw/zinc/33/40/23/540334023.db2.gz IDBIRUVZMRFEGH-UHFFFAOYSA-N 1 3 321.490 2.340 20 0 DEADHO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)c1cccc2c1CCNC2 ZINC000662824603 540335761 /nfs/dbraw/zinc/33/57/61/540335761.db2.gz XHGGODPRGPFMSP-IBGZPJMESA-N 1 3 321.424 2.031 20 0 DEADHO CC1(C[N@@H+]2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)CCC1 ZINC000663512853 540340495 /nfs/dbraw/zinc/34/04/95/540340495.db2.gz OMDCNUVJLTXDTB-HNNXBMFYSA-N 1 3 317.481 2.189 20 0 DEADHO CC1(C[N@H+]2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)CCC1 ZINC000663512853 540340498 /nfs/dbraw/zinc/34/04/98/540340498.db2.gz OMDCNUVJLTXDTB-HNNXBMFYSA-N 1 3 317.481 2.189 20 0 DEADHO CCCN1CC[C@@H](NC(=O)N2CCC(C[NH+](CC)CC)CC2)C1 ZINC000666928855 540365242 /nfs/dbraw/zinc/36/52/42/540365242.db2.gz VHWHWMCPZQEKJB-QGZVFWFLSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H](F)CN2)CCN1Cc1ccccc1 ZINC000666946927 540368003 /nfs/dbraw/zinc/36/80/03/540368003.db2.gz SUHXXXWSSVVCJQ-SPUZQDLCSA-N 1 3 305.441 2.329 20 0 DEADHO NCc1cn([C@@H]2CCC[N@H+](Cc3nccc4ccccc43)C2)nn1 ZINC000667040476 540384756 /nfs/dbraw/zinc/38/47/56/540384756.db2.gz SSUZHEAFRZYSPJ-MRXNPFEDSA-N 1 3 322.416 2.122 20 0 DEADHO NCc1cn([C@@H]2CCC[N@@H+](Cc3nccc4ccccc43)C2)nn1 ZINC000667040476 540384758 /nfs/dbraw/zinc/38/47/58/540384758.db2.gz SSUZHEAFRZYSPJ-MRXNPFEDSA-N 1 3 322.416 2.122 20 0 DEADHO C[C@H]1C[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)CCN1C ZINC000361778962 291138436 /nfs/dbraw/zinc/13/84/36/291138436.db2.gz AYRKEHUITLGOMB-GOEBONIOSA-N 1 3 322.497 2.175 20 0 DEADHO C[NH+](C)C1(CNC(=O)N[C@H]2CCN(CC3CC3)C2)CCCCC1 ZINC000594952871 358367400 /nfs/dbraw/zinc/36/74/00/358367400.db2.gz UDIGQQZYQICUAN-INIZCTEOSA-N 1 3 322.497 2.034 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@H]2CCSc3ccccc32)C1 ZINC000415104303 283418210 /nfs/dbraw/zinc/41/82/10/283418210.db2.gz LAOUQKDUDPYEDP-ZFWWWQNUSA-N 1 3 319.474 2.010 20 0 DEADHO CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000186747436 200003127 /nfs/dbraw/zinc/00/31/27/200003127.db2.gz MKDNOMZEBZZRMH-GOSISDBHSA-N 1 3 315.461 2.204 20 0 DEADHO CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000186747436 200003128 /nfs/dbraw/zinc/00/31/28/200003128.db2.gz MKDNOMZEBZZRMH-GOSISDBHSA-N 1 3 315.461 2.204 20 0 DEADHO c1cc(N2CCN(CCC[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)CC2)ccn1 ZINC000667822237 540535209 /nfs/dbraw/zinc/53/52/09/540535209.db2.gz ACHDKHDFRMHQSE-NEWSRXKRSA-N 1 3 314.477 2.372 20 0 DEADHO C[NH+](C)CCOc1ccc(CN[C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000667791088 540527078 /nfs/dbraw/zinc/52/70/78/540527078.db2.gz CRWAAXITKUOPQJ-SJLPKXTDSA-N 1 3 304.434 2.284 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000667791088 540527082 /nfs/dbraw/zinc/52/70/82/540527082.db2.gz CRWAAXITKUOPQJ-SJLPKXTDSA-N 1 3 304.434 2.284 20 0 DEADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1oc2ccccc2c1CN(C)C ZINC000186873754 200025352 /nfs/dbraw/zinc/02/53/52/200025352.db2.gz RDWAFPJDICRYIN-SWLSCSKDSA-N 1 3 315.417 2.222 20 0 DEADHO CN(C)CC(C)(C)C[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000187089049 200059976 /nfs/dbraw/zinc/05/99/76/200059976.db2.gz FZERBRABECAIMT-UHFFFAOYSA-N 1 3 303.450 2.273 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)N(C)C ZINC000187467538 200115605 /nfs/dbraw/zinc/11/56/05/200115605.db2.gz DLFREYWNBKIFCH-QZTJIDSGSA-N 1 3 317.477 2.353 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)N(C)C ZINC000187467538 200115607 /nfs/dbraw/zinc/11/56/07/200115607.db2.gz DLFREYWNBKIFCH-QZTJIDSGSA-N 1 3 317.477 2.353 20 0 DEADHO N[C@@H](CC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000237878672 202376801 /nfs/dbraw/zinc/37/68/01/202376801.db2.gz NUALLFHNSWGAOM-AEFFLSMTSA-N 1 3 315.461 2.411 20 0 DEADHO C[C@H](C(=O)NCc1ccccc1Cl)N1CCC[C@@H](CC[NH3+])C1 ZINC000443064293 238100683 /nfs/dbraw/zinc/10/06/83/238100683.db2.gz XWNYAHUIACRTPM-KGLIPLIRSA-N 1 3 323.868 2.406 20 0 DEADHO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC[C@H](CC[NH3+])C1 ZINC000443061983 238101131 /nfs/dbraw/zinc/10/11/31/238101131.db2.gz SWUCLTVSBOGIHP-DLBZAZTESA-N 1 3 317.477 2.403 20 0 DEADHO CC[C@@H]1CN(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)CC[C@H]1[NH3+] ZINC000669469297 540838884 /nfs/dbraw/zinc/83/88/84/540838884.db2.gz WJBGUIOKWKDPKD-QKPAOTATSA-N 1 3 310.486 2.018 20 0 DEADHO N[C@H](CC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000669519654 540850710 /nfs/dbraw/zinc/85/07/10/540850710.db2.gz LVLBJYDQBURHGR-OKZBNKHCSA-N 1 3 315.461 2.315 20 0 DEADHO CN1CCN(CC[NH2+][C@H]2CCCc3cccnc32)CC1(C)C ZINC000669618834 540874421 /nfs/dbraw/zinc/87/44/21/540874421.db2.gz NHIQWYGGTWLTNN-INIZCTEOSA-N 1 3 302.466 2.075 20 0 DEADHO Cc1ccc([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)c(C)n1 ZINC000669618811 540874444 /nfs/dbraw/zinc/87/44/44/540874444.db2.gz UXJNQNZXZFZWJA-OAHLLOKOSA-N 1 3 304.482 2.375 20 0 DEADHO COc1cccc(CNCC2(O)CC[NH+](C(C)C)CC2)c1F ZINC000669683255 540879383 /nfs/dbraw/zinc/87/93/83/540879383.db2.gz FACCYTRZXMUHCG-UHFFFAOYSA-N 1 3 310.413 2.159 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000605989032 360992787 /nfs/dbraw/zinc/99/27/87/360992787.db2.gz WHBBALFSEMCUKU-SJORKVTESA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H](NCC1=CC[N@H+](C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000271895530 209305708 /nfs/dbraw/zinc/30/57/08/209305708.db2.gz UBEWAVSLFPGTLF-CYBMUJFWSA-N 1 3 308.447 2.003 20 0 DEADHO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000271895530 209305711 /nfs/dbraw/zinc/30/57/11/209305711.db2.gz UBEWAVSLFPGTLF-CYBMUJFWSA-N 1 3 308.447 2.003 20 0 DEADHO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000671727131 541004767 /nfs/dbraw/zinc/00/47/67/541004767.db2.gz IUHJEPVDUCMHFO-NVXWUHKLSA-N 1 3 306.450 2.389 20 0 DEADHO C[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000671727133 541005142 /nfs/dbraw/zinc/00/51/42/541005142.db2.gz IUHJEPVDUCMHFO-WBVHZDCISA-N 1 3 306.450 2.389 20 0 DEADHO CN1CCC(N2CC[C@@H]([N@H+](C)C[C@@]3(C)CCCS3)C2)CC1 ZINC000628278876 366790845 /nfs/dbraw/zinc/79/08/45/366790845.db2.gz LHPRTGPMKDDTFJ-IAGOWNOFSA-N 1 3 311.539 2.372 20 0 DEADHO CN1CCC(N2CC[C@@H]([N@@H+](C)C[C@@]3(C)CCCS3)C2)CC1 ZINC000628278876 366790847 /nfs/dbraw/zinc/79/08/47/366790847.db2.gz LHPRTGPMKDDTFJ-IAGOWNOFSA-N 1 3 311.539 2.372 20 0 DEADHO CN(C)CCN(C)CCC[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000628283205 366792173 /nfs/dbraw/zinc/79/21/73/366792173.db2.gz JKLRZHXXOJBSCU-UHFFFAOYSA-N 1 3 302.466 2.483 20 0 DEADHO CN(C)CCN(C)CCC[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000628283205 366792177 /nfs/dbraw/zinc/79/21/77/366792177.db2.gz JKLRZHXXOJBSCU-UHFFFAOYSA-N 1 3 302.466 2.483 20 0 DEADHO O=C(C[C@H]1CCC[NH2+]1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000194017964 201164270 /nfs/dbraw/zinc/16/42/70/201164270.db2.gz UFKICZOCUFFUDX-IAGOWNOFSA-N 1 3 301.434 2.082 20 0 DEADHO COC(=O)C[C@@H]1CCCN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000611274273 361570027 /nfs/dbraw/zinc/57/00/27/361570027.db2.gz JQJSLGFCRCIKEA-INIZCTEOSA-N 1 3 320.433 2.155 20 0 DEADHO CN1C[C@@H]2C[N@@H+](Cc3ccc(Oc4cnccn4)cc3)C[C@@H]2C1 ZINC000194541075 201246836 /nfs/dbraw/zinc/24/68/36/201246836.db2.gz PQVWVPLYQBZNST-IYBDPMFKSA-N 1 3 310.401 2.262 20 0 DEADHO CN1C[C@@H]2C[N@H+](Cc3ccc(Oc4cnccn4)cc3)C[C@@H]2C1 ZINC000194541075 201246838 /nfs/dbraw/zinc/24/68/38/201246838.db2.gz PQVWVPLYQBZNST-IYBDPMFKSA-N 1 3 310.401 2.262 20 0 DEADHO OC1CCN(Cc2ccccc2C[NH2+]C[C@@H]2CCC=CO2)CC1 ZINC000194494811 201239084 /nfs/dbraw/zinc/23/90/84/201239084.db2.gz DNGKNFAYJPCUCV-IBGZPJMESA-N 1 3 316.445 2.426 20 0 DEADHO C[C@H]1[C@@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)CCCN1C ZINC000343600281 291286172 /nfs/dbraw/zinc/28/61/72/291286172.db2.gz JVVNKFJZOAOMHJ-GJZGRUSLSA-N 1 3 310.486 2.033 20 0 DEADHO CCO[C@@H](CC[NH+](C)C)CNCc1nn(C)c2ccccc12 ZINC000674711243 541238481 /nfs/dbraw/zinc/23/84/81/541238481.db2.gz XRTQUCGNFZBAEU-AWEZNQCLSA-N 1 3 304.438 2.020 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000621106521 364257512 /nfs/dbraw/zinc/25/75/12/364257512.db2.gz MYHLCBSHTYFOHG-HLLBOEOZSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000621106521 364257518 /nfs/dbraw/zinc/25/75/18/364257518.db2.gz MYHLCBSHTYFOHG-HLLBOEOZSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@H]1CN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC[NH2+]1 ZINC000621152158 364280858 /nfs/dbraw/zinc/28/08/58/364280858.db2.gz QMWSBVQFJGDLIA-MSOLQXFVSA-N 1 3 315.461 2.107 20 0 DEADHO CCCc1ccc(C[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)s1 ZINC000621334434 364359033 /nfs/dbraw/zinc/35/90/33/364359033.db2.gz FWAXOGUZXGTUMW-CQSZACIVSA-N 1 3 323.506 2.378 20 0 DEADHO CC(=O)N1CC[C@@H](N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000621742508 364533793 /nfs/dbraw/zinc/53/37/93/364533793.db2.gz YMNXWQGDRKCMKB-ZYSHUDEJSA-N 1 3 315.461 2.107 20 0 DEADHO CC(=O)N1CC[C@@H](N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000621742508 364533796 /nfs/dbraw/zinc/53/37/96/364533796.db2.gz YMNXWQGDRKCMKB-ZYSHUDEJSA-N 1 3 315.461 2.107 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@H](C[NH3+])C2CCCC2)c1 ZINC000623062719 364872083 /nfs/dbraw/zinc/87/20/83/364872083.db2.gz YQHURHHGZUZKAG-MRXNPFEDSA-N 1 3 304.438 2.387 20 0 DEADHO CN(C)Cc1cccc(NC(=O)NC[C@@]2(C)CCC[NH2+]C2)c1 ZINC000623062022 364872596 /nfs/dbraw/zinc/87/25/96/364872596.db2.gz JHHMXJTZQAOXPY-KRWDZBQOSA-N 1 3 304.438 2.259 20 0 DEADHO C(COC[C@@H]1CCOC1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000675836859 541389301 /nfs/dbraw/zinc/38/93/01/541389301.db2.gz KOTNUWZCKSTBDL-MRXNPFEDSA-N 1 3 310.482 2.426 20 0 DEADHO FC(F)CN1CCC(C[NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000623089479 364881689 /nfs/dbraw/zinc/88/16/89/364881689.db2.gz JQUHGCBRXXUUEC-CABCVRRESA-N 1 3 301.425 2.180 20 0 DEADHO Cc1cccc(CC[NH2+][C@@H](CC(C)C)C(=O)NCCN(C)C)c1 ZINC000449202951 240184717 /nfs/dbraw/zinc/18/47/17/240184717.db2.gz JLMDKKCLQHDSDH-SFHVURJKSA-N 1 3 319.493 2.220 20 0 DEADHO Cc1cccc(CC[NH+]2CCC(CN3CCN(C)CC3)CC2)c1 ZINC000449325614 240369775 /nfs/dbraw/zinc/36/97/75/240369775.db2.gz ODXJCTBEUVMLCR-UHFFFAOYSA-N 1 3 315.505 2.497 20 0 DEADHO CN1CCC(N2CC[C@@H]([NH2+]Cc3ccc4cc[nH]c4c3)C2)CC1 ZINC000623416103 365022121 /nfs/dbraw/zinc/02/21/21/365022121.db2.gz JMMOOMHMHABUFA-QGZVFWFLSA-N 1 3 312.461 2.426 20 0 DEADHO C[NH+]1CCC(CCNC(=O)NC[C@@H]2CCN2C2CCCC2)CC1 ZINC000623720317 365146549 /nfs/dbraw/zinc/14/65/49/365146549.db2.gz CEEXPKQEAOCSTM-KRWDZBQOSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624377085 365401615 /nfs/dbraw/zinc/40/16/15/365401615.db2.gz KEUGNIVTYWPVRX-DLBZAZTESA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624377085 365401619 /nfs/dbraw/zinc/40/16/19/365401619.db2.gz KEUGNIVTYWPVRX-DLBZAZTESA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H](NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[C@@H](c1ccccc1)N(C)C ZINC000418190476 296086973 /nfs/dbraw/zinc/08/69/73/296086973.db2.gz WHKPKHQSRPUHTJ-SRABZTEZSA-N 1 3 318.465 2.118 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1CCCN1CC(F)F ZINC000629520642 367233270 /nfs/dbraw/zinc/23/32/70/367233270.db2.gz XCYASXXBAVCHQZ-SMDDNHRTSA-N 1 3 312.408 2.229 20 0 DEADHO Cc1ccc(C(C)(C)CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)nc1 ZINC000629524855 367235143 /nfs/dbraw/zinc/23/51/43/367235143.db2.gz VEAZVIOQCSDRRZ-BRWVUGGUSA-N 1 3 317.477 2.414 20 0 DEADHO CC[C@@H](C[NH2+]C[C@@H](O)CN1CCCC1)Oc1cccc(F)c1 ZINC000629562616 367253087 /nfs/dbraw/zinc/25/30/87/367253087.db2.gz DSLPTSCPRAFNSG-CVEARBPZSA-N 1 3 310.413 2.029 20 0 DEADHO C[C@H](C[NH2+]C[C@H](O)CN1CCCC1)Oc1cccc(Cl)c1 ZINC000629563616 367253486 /nfs/dbraw/zinc/25/34/86/367253486.db2.gz HLEDNDMYBYBEOB-HIFRSBDPSA-N 1 3 312.841 2.154 20 0 DEADHO CC[C@@H](C[NH2+]C[C@H](O)CN1CCCC1)Oc1ccccc1F ZINC000629567585 367254963 /nfs/dbraw/zinc/25/49/63/367254963.db2.gz YTIGVWOCDIJTOY-GJZGRUSLSA-N 1 3 310.413 2.029 20 0 DEADHO COc1ccc2c(c1)CCC[C@@H]2CNC[C@H](O)C[NH+]1CCCC1 ZINC000629574109 367257231 /nfs/dbraw/zinc/25/72/31/367257231.db2.gz LQWYNIVJYHFQKH-SJORKVTESA-N 1 3 318.461 2.161 20 0 DEADHO C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000271762810 209192617 /nfs/dbraw/zinc/19/26/17/209192617.db2.gz BLEACSMUOLUVFB-HOTGVXAUSA-N 1 3 320.481 2.146 20 0 DEADHO O=C([C@H]1CCCN1C1CC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000426875567 296108019 /nfs/dbraw/zinc/10/80/19/296108019.db2.gz OLOVJAKNCSQTEY-NVXWUHKLSA-N 1 3 305.466 2.090 20 0 DEADHO C[C@@H](NC(=O)N1CCCN(C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000288190683 220007650 /nfs/dbraw/zinc/00/76/50/220007650.db2.gz QCXAGCMEEIPDCO-WBVHZDCISA-N 1 3 318.465 2.025 20 0 DEADHO NCc1cn([C@@H]2CC[N@@H+]([C@@H]3CCCc4ccc(F)cc43)C2)nn1 ZINC000631844958 368420547 /nfs/dbraw/zinc/42/05/47/368420547.db2.gz QGKNCKJHWGTCNV-NVXWUHKLSA-N 1 3 315.396 2.200 20 0 DEADHO NCc1cn([C@@H]2CC[N@H+]([C@@H]3CCCc4ccc(F)cc43)C2)nn1 ZINC000631844958 368420551 /nfs/dbraw/zinc/42/05/51/368420551.db2.gz QGKNCKJHWGTCNV-NVXWUHKLSA-N 1 3 315.396 2.200 20 0 DEADHO O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@@H](N2CCCC2)C1 ZINC000363597046 296122989 /nfs/dbraw/zinc/12/29/89/296122989.db2.gz JSRFTLDCGSLIAN-FUHWJXTLSA-N 1 3 319.493 2.338 20 0 DEADHO O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CC[C@@H](N2CCCC2)C1 ZINC000363597046 296122991 /nfs/dbraw/zinc/12/29/91/296122991.db2.gz JSRFTLDCGSLIAN-FUHWJXTLSA-N 1 3 319.493 2.338 20 0 DEADHO CN(C(=O)C1CC[NH2+]CC1)C1CCN(Cc2ccccc2)CC1 ZINC000261539063 203075484 /nfs/dbraw/zinc/07/54/84/203075484.db2.gz BLMBUNLPPLXNOS-UHFFFAOYSA-N 1 3 315.461 2.109 20 0 DEADHO O=C(CC[C@@H]1CC[NH2+]C1)N1CCCN(Cc2ccccc2)CC1 ZINC000261902051 203147347 /nfs/dbraw/zinc/14/73/47/203147347.db2.gz VDMXQOPDKNLGRX-QGZVFWFLSA-N 1 3 315.461 2.111 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H](N)c1ccccc1 ZINC000262049319 203184833 /nfs/dbraw/zinc/18/48/33/203184833.db2.gz CTGXUHGTZIAGIK-RKTXRCNFSA-N 1 3 301.434 2.066 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H](N)c1ccccc1 ZINC000262049319 203184837 /nfs/dbraw/zinc/18/48/37/203184837.db2.gz CTGXUHGTZIAGIK-RKTXRCNFSA-N 1 3 301.434 2.066 20 0 DEADHO C[C@H](C(=O)N[C@H](C[NH3+])C1CCCCC1)[C@@H](N)c1ccccc1 ZINC000262600816 203346110 /nfs/dbraw/zinc/34/61/10/203346110.db2.gz PCOWWZHOPODVCR-IAOVAPTHSA-N 1 3 303.450 2.346 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccccc2N(C)C)CC1 ZINC000093942322 193330831 /nfs/dbraw/zinc/33/08/31/193330831.db2.gz RVYUGUNIEWMFOX-QGZVFWFLSA-N 1 3 318.509 2.431 20 0 DEADHO C[C@@H]([NH2+]CCC1(CO)CC1)c1cccc(OCCN(C)C)c1 ZINC000453371953 245100773 /nfs/dbraw/zinc/10/07/73/245100773.db2.gz YOYDJQZHFAKEGM-OAHLLOKOSA-N 1 3 306.450 2.440 20 0 DEADHO CN1CCC(CC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000529716369 284248434 /nfs/dbraw/zinc/24/84/34/284248434.db2.gz AZMMSKDGEVSWNE-QGZVFWFLSA-N 1 3 307.482 2.242 20 0 DEADHO CN1CCC(CC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000529716369 284248436 /nfs/dbraw/zinc/24/84/36/284248436.db2.gz AZMMSKDGEVSWNE-QGZVFWFLSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)(C)CC(=O)N1CCC([NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000530179255 284360967 /nfs/dbraw/zinc/36/09/67/284360967.db2.gz RGXCJCCWZLPZCU-OAHLLOKOSA-N 1 3 307.482 2.288 20 0 DEADHO CNC[C@](C)(O)C[N@@H+]1C[C@H](c2cccc(OC)c2)C(C)(C)C1 ZINC000530230549 284381321 /nfs/dbraw/zinc/38/13/21/284381321.db2.gz HQXVLXXSWNHORU-AEFFLSMTSA-N 1 3 306.450 2.091 20 0 DEADHO CNC[C@](C)(O)C[N@H+]1C[C@H](c2cccc(OC)c2)C(C)(C)C1 ZINC000530230549 284381324 /nfs/dbraw/zinc/38/13/24/284381324.db2.gz HQXVLXXSWNHORU-AEFFLSMTSA-N 1 3 306.450 2.091 20 0 DEADHO COc1ccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530241756 284383837 /nfs/dbraw/zinc/38/38/37/284383837.db2.gz QTXGJPQZDZEFBN-SFHVURJKSA-N 1 3 304.434 2.286 20 0 DEADHO CCN1CCN(Cc2ccccc2C[NH2+]C2CSC2)CC1 ZINC000679839354 541916407 /nfs/dbraw/zinc/91/64/07/541916407.db2.gz QLZCVHNVOOUWDQ-UHFFFAOYSA-N 1 3 305.491 2.029 20 0 DEADHO C[C@@H](NC(=O)N1CC[C@]2(C1)CCCN(C)C2)C(C)(C)C[NH+](C)C ZINC000458533128 248359854 /nfs/dbraw/zinc/35/98/54/248359854.db2.gz XEBADBCPHQADTG-CRAIPNDOSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C2CCN(C3CC3)CC2)C1 ZINC000494315417 249492338 /nfs/dbraw/zinc/49/23/38/249492338.db2.gz UDZVLVQGUALJLW-HOTGVXAUSA-N 1 3 321.509 2.345 20 0 DEADHO CN1CCC[C@@H](NC(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000682108508 542265445 /nfs/dbraw/zinc/26/54/45/542265445.db2.gz AIGACNSNTPVLCT-OAHLLOKOSA-N 1 3 304.438 2.006 20 0 DEADHO C[C@@H]([NH2+]CCCC(=O)N(C)C)c1ccc(OCCN(C)C)cc1 ZINC000268852039 207020394 /nfs/dbraw/zinc/02/03/94/207020394.db2.gz TWUGZMYABIVEQN-OAHLLOKOSA-N 1 3 321.465 2.146 20 0 DEADHO CC(C)[NH+]1CCC(NC[C@@H](CO)Cc2ccc(F)cc2)CC1 ZINC000268873245 207041739 /nfs/dbraw/zinc/04/17/39/207041739.db2.gz VXNJVEXDPOPFCN-INIZCTEOSA-N 1 3 308.441 2.439 20 0 DEADHO COCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000268962986 207125124 /nfs/dbraw/zinc/12/51/24/207125124.db2.gz YAYYLHBLYHCKSS-YJBOKZPZSA-N 1 3 324.465 2.065 20 0 DEADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCCOC1CCOCC1 ZINC000422915679 532994253 /nfs/dbraw/zinc/99/42/53/532994253.db2.gz BKABNQVRLXCTOR-QAPCUYQASA-N 1 3 306.450 2.120 20 0 DEADHO COc1ccc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1O ZINC000556963703 291853247 /nfs/dbraw/zinc/85/32/47/291853247.db2.gz YGEXKGSKKUQKDQ-YJBOKZPZSA-N 1 3 320.433 2.119 20 0 DEADHO CC(C)(C)N1CCC([NH2+]CCC(=O)Nc2ccccn2)CC1 ZINC000540814219 285128727 /nfs/dbraw/zinc/12/87/27/285128727.db2.gz QYGWMRBLYUOETO-UHFFFAOYSA-N 1 3 304.438 2.263 20 0 DEADHO CC(=O)N1CC[C@@H](NC[C@H]2CCC[N@@H+](C)C2)c2ccccc2C1 ZINC000541844480 285187989 /nfs/dbraw/zinc/18/79/89/285187989.db2.gz IWKLTDBJHJXHOD-VQIMIIECSA-N 1 3 315.461 2.411 20 0 DEADHO CC(=O)N1CC[C@@H](NC[C@H]2CCC[N@H+](C)C2)c2ccccc2C1 ZINC000541844480 285187994 /nfs/dbraw/zinc/18/79/94/285187994.db2.gz IWKLTDBJHJXHOD-VQIMIIECSA-N 1 3 315.461 2.411 20 0 DEADHO COCCOCc1ccc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000292717408 533142201 /nfs/dbraw/zinc/14/22/01/533142201.db2.gz DXLNQNFXPOZUKQ-LJQANCHMSA-N 1 3 318.461 2.377 20 0 DEADHO COCCOCc1ccc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000292717408 533142210 /nfs/dbraw/zinc/14/22/10/533142210.db2.gz DXLNQNFXPOZUKQ-LJQANCHMSA-N 1 3 318.461 2.377 20 0 DEADHO COc1cc2nccc(NCC[N@H+](C)C3CC3)c2cc1OC ZINC000413073747 533145656 /nfs/dbraw/zinc/14/56/56/533145656.db2.gz NBLHEZZVDAQRSI-UHFFFAOYSA-N 1 3 301.390 2.180 20 0 DEADHO COc1cc2nccc(NCC[N@@H+](C)C3CC3)c2cc1OC ZINC000413073747 533145659 /nfs/dbraw/zinc/14/56/59/533145659.db2.gz NBLHEZZVDAQRSI-UHFFFAOYSA-N 1 3 301.390 2.180 20 0 DEADHO C[C@H]1C[N@H+](CCCNCc2[nH]nc3ccccc32)CCCO1 ZINC000683344606 542434010 /nfs/dbraw/zinc/43/40/10/542434010.db2.gz ZBBQWNFNGJMRHU-AWEZNQCLSA-N 1 3 302.422 2.153 20 0 DEADHO C[C@H]1C[N@@H+](CCCNCc2[nH]nc3ccccc32)CCCO1 ZINC000683344606 542434012 /nfs/dbraw/zinc/43/40/12/542434012.db2.gz ZBBQWNFNGJMRHU-AWEZNQCLSA-N 1 3 302.422 2.153 20 0 DEADHO C[C@H]1CN(CCC[NH2+]Cc2[nH]nc3ccccc32)CCCO1 ZINC000683344606 542434014 /nfs/dbraw/zinc/43/40/14/542434014.db2.gz ZBBQWNFNGJMRHU-AWEZNQCLSA-N 1 3 302.422 2.153 20 0 DEADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ncc(C)s1 ZINC000449326257 285250917 /nfs/dbraw/zinc/25/09/17/285250917.db2.gz UDVPGYAMDLMJHE-OAHLLOKOSA-N 1 3 310.511 2.299 20 0 DEADHO Cc1ccc(C[C@@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000542780547 285249210 /nfs/dbraw/zinc/24/92/10/285249210.db2.gz UWXNFKZOFRCKJD-QGZVFWFLSA-N 1 3 319.493 2.125 20 0 DEADHO COCCOCc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000289611048 221100835 /nfs/dbraw/zinc/10/08/35/221100835.db2.gz DYRMDFXNNQKHAQ-SFHVURJKSA-N 1 3 318.461 2.424 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC000348542110 285339398 /nfs/dbraw/zinc/33/93/98/285339398.db2.gz ASDRYJLCNYLKQD-RTBURBONSA-N 1 3 317.477 2.174 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC000348542110 285339399 /nfs/dbraw/zinc/33/93/99/285339399.db2.gz ASDRYJLCNYLKQD-RTBURBONSA-N 1 3 317.477 2.174 20 0 DEADHO COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)CO2 ZINC000297598702 533274379 /nfs/dbraw/zinc/27/43/79/533274379.db2.gz HYIZZFCMUHCQHU-OWCLPIDISA-N 1 3 304.434 2.461 20 0 DEADHO C[C@@H](NC(C)(C)CNC(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000417622750 533322860 /nfs/dbraw/zinc/32/28/60/533322860.db2.gz IRJHFCDIKSLKQB-GDBMZVCRSA-N 1 3 318.465 2.167 20 0 DEADHO C[C@@H](CC(=O)Nc1ccc2c(c1)CNCC2)[C@@H]1CCC[NH2+]C1 ZINC000429337038 533447594 /nfs/dbraw/zinc/44/75/94/533447594.db2.gz SFMQIDUKUBQMNP-DZGCQCFKSA-N 1 3 301.434 2.297 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCN(C)CC[C@H]2C)C1 ZINC000355472416 133028659 /nfs/dbraw/zinc/02/86/59/133028659.db2.gz DUMQHCQXLLOAMG-IXDOHACOSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCN(C)CC[C@H]2C)C1 ZINC000355472416 133028660 /nfs/dbraw/zinc/02/86/60/133028660.db2.gz DUMQHCQXLLOAMG-IXDOHACOSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H](CNC(=O)NCC1([NH+](C)C)CCCCC1)N(C)C1CC1 ZINC000356093357 133065186 /nfs/dbraw/zinc/06/51/86/133065186.db2.gz JXHXRSCRLAVIRH-CQSZACIVSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000356238618 133073969 /nfs/dbraw/zinc/07/39/69/133073969.db2.gz WKCQRAZUIDIGJV-FUHWJXTLSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000356238618 133073970 /nfs/dbraw/zinc/07/39/70/133073970.db2.gz WKCQRAZUIDIGJV-FUHWJXTLSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000358093253 133120622 /nfs/dbraw/zinc/12/06/22/133120622.db2.gz LOZDSIKYKFZHSY-GJZGRUSLSA-N 1 3 312.502 2.135 20 0 DEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000358093253 133120623 /nfs/dbraw/zinc/12/06/23/133120623.db2.gz LOZDSIKYKFZHSY-GJZGRUSLSA-N 1 3 312.502 2.135 20 0 DEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCc1nnc2n1CCCCC2 ZINC000562958644 292019682 /nfs/dbraw/zinc/01/96/82/292019682.db2.gz HPYAJZPBTTVKBT-CVEARBPZSA-N 1 3 319.497 2.447 20 0 DEADHO Cc1cc(C)cc(NC(=[NH2+])NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000360574162 133191232 /nfs/dbraw/zinc/19/12/32/133191232.db2.gz YCORVOOFYAYXIR-JKSUJKDBSA-N 1 3 302.422 2.103 20 0 DEADHO C[C@]1(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CCC[NH2+]C1 ZINC000362573255 133239751 /nfs/dbraw/zinc/23/97/51/133239751.db2.gz QKOYCPJYXITCSW-AWEZNQCLSA-N 1 3 315.339 2.492 20 0 DEADHO C[C@@H](C[NH2+]C1CCN(c2nccs2)CC1)CN1CCCC1 ZINC000376268875 133289045 /nfs/dbraw/zinc/28/90/45/133289045.db2.gz WXTYUHRKYSOQFF-AWEZNQCLSA-N 1 3 308.495 2.433 20 0 DEADHO C[C@H](O)C[NH2+]CCCOC1CCN(Cc2ccccc2)CC1 ZINC000562990433 292022481 /nfs/dbraw/zinc/02/24/81/292022481.db2.gz YEEFATIUQDQPCZ-INIZCTEOSA-N 1 3 306.450 2.028 20 0 DEADHO CC[C@@H](C)CCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000377131038 133319776 /nfs/dbraw/zinc/31/97/76/133319776.db2.gz UBQCIVLHMOANHU-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000563536700 292062049 /nfs/dbraw/zinc/06/20/49/292062049.db2.gz DIPSUCUACSZSGU-GJZGRUSLSA-N 1 3 303.450 2.141 20 0 DEADHO CN[C@@H](C)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000564738048 292108478 /nfs/dbraw/zinc/10/84/78/292108478.db2.gz VYRKNRBWQIARDD-HNNXBMFYSA-N 1 3 303.450 2.287 20 0 DEADHO [NH3+]CCCN(Cc1ccccc1)C(=O)[C@H]1CNCc2ccccc21 ZINC000564948651 292122863 /nfs/dbraw/zinc/12/28/63/292122863.db2.gz HQPZJHQPGPDXGI-IBGZPJMESA-N 1 3 323.440 2.251 20 0 DEADHO CC(C)[C@H](C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)[NH+](C)C ZINC000565027091 292128103 /nfs/dbraw/zinc/12/81/03/292128103.db2.gz IXZYXAJGZVZQDV-ZWKOTPCHSA-N 1 3 317.477 2.306 20 0 DEADHO Cc1c[nH+]ccc1N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000192804968 145079357 /nfs/dbraw/zinc/07/93/57/145079357.db2.gz HZDVROWTTIINEP-IBGZPJMESA-N 1 3 311.429 2.463 20 0 DEADHO CC[N@@H+]1CC[C@H](NCCNC(=O)CC2CCCCC2)[C@@H](C)C1 ZINC000246510775 145105161 /nfs/dbraw/zinc/10/51/61/145105161.db2.gz UAWGHNIDLSMZKT-RDJZCZTQSA-N 1 3 309.498 2.393 20 0 DEADHO CC[N@H+]1CC[C@H](NCCNC(=O)CC2CCCCC2)[C@@H](C)C1 ZINC000246510775 145105162 /nfs/dbraw/zinc/10/51/62/145105162.db2.gz UAWGHNIDLSMZKT-RDJZCZTQSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000247401404 145136079 /nfs/dbraw/zinc/13/60/79/145136079.db2.gz RCDGLULTMGDLGJ-RHSMWYFYSA-N 1 3 303.450 2.207 20 0 DEADHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000247401404 145136080 /nfs/dbraw/zinc/13/60/80/145136080.db2.gz RCDGLULTMGDLGJ-RHSMWYFYSA-N 1 3 303.450 2.207 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000261539039 145205875 /nfs/dbraw/zinc/20/58/75/145205875.db2.gz BKRACTRHMPRPSU-INMHGKMJSA-N 1 3 303.450 2.011 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261708860 145218794 /nfs/dbraw/zinc/21/87/94/145218794.db2.gz KFHGCUZAAYTEBT-FGTMMUONSA-N 1 3 315.461 2.062 20 0 DEADHO COc1ccccc1N1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000261979401 145249233 /nfs/dbraw/zinc/24/92/33/145249233.db2.gz REJGZKMGJLLBRF-MRXNPFEDSA-N 1 3 303.450 2.207 20 0 DEADHO Cc1ccc(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1C ZINC000262130528 145264464 /nfs/dbraw/zinc/26/44/64/145264464.db2.gz YCWBENVNSOCYQI-QGZVFWFLSA-N 1 3 303.450 2.123 20 0 DEADHO CCC[C@](C)(N)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000262712216 145301358 /nfs/dbraw/zinc/30/13/58/145301358.db2.gz RQOSZPUFZVILQX-AEFFLSMTSA-N 1 3 309.498 2.474 20 0 DEADHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)[C@H]1CCCO1 ZINC000346473036 146088391 /nfs/dbraw/zinc/08/83/91/146088391.db2.gz DWRUBZAXPIYDDF-QFBILLFUSA-N 1 3 317.477 2.091 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]CC[C@@H]2CCCN2C)[C@@H](C)C1 ZINC000346605960 146109402 /nfs/dbraw/zinc/10/94/02/146109402.db2.gz JEBYWIBYZJJNLQ-BZSNNMDCSA-N 1 3 311.514 2.197 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cc(-n4ccnc4)cs3)C[C@H]21 ZINC000346851828 146153635 /nfs/dbraw/zinc/15/36/35/146153635.db2.gz RDDYQNNYDOYASO-DAXOMENPSA-N 1 3 302.447 2.493 20 0 DEADHO Cn1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(-c2ccncc2)n1 ZINC000346857554 146154712 /nfs/dbraw/zinc/15/47/12/146154712.db2.gz WYCQHSIYYZGACW-BHYGNILZSA-N 1 3 311.433 2.041 20 0 DEADHO CCN1CCN(c2ccccc2CN(C)C2CC[NH2+]CC2)CC1 ZINC000347050277 146186331 /nfs/dbraw/zinc/18/63/31/146186331.db2.gz QMHCEODBFJXICY-UHFFFAOYSA-N 1 3 316.493 2.012 20 0 DEADHO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000348374902 146262772 /nfs/dbraw/zinc/26/27/72/146262772.db2.gz GKOLJRWEDOVMLL-WBVHZDCISA-N 1 3 303.450 2.256 20 0 DEADHO CC(=O)Nc1cccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000357091039 147039703 /nfs/dbraw/zinc/03/97/03/147039703.db2.gz VTCPULXUTGAWML-QGZVFWFLSA-N 1 3 301.434 2.467 20 0 DEADHO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357105183 147042659 /nfs/dbraw/zinc/04/26/59/147042659.db2.gz NKUSSAGCWRLIFI-KBAYOESNSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)C1C[NH2+]C1 ZINC000357238678 147070166 /nfs/dbraw/zinc/07/01/66/147070166.db2.gz IVAUVBKYTJYZOL-RVKKMQEKSA-N 1 3 315.461 2.011 20 0 DEADHO N[C@@H](CC(=O)N(CCC[NH3+])CC1CCCC1)c1ccccc1 ZINC000357361267 147094588 /nfs/dbraw/zinc/09/45/88/147094588.db2.gz FLEZPSBHWJWATF-KRWDZBQOSA-N 1 3 303.450 2.444 20 0 DEADHO C[C@H]1C[C@@H](NCCc2ncn(C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000358371853 147121281 /nfs/dbraw/zinc/12/12/81/147121281.db2.gz AYVAPQVWGCWGEM-RDJZCZTQSA-N 1 3 313.449 2.000 20 0 DEADHO C[C@H]1C[C@@H](NCCc2ncn(C)n2)CC[N@H+]1Cc1ccccc1 ZINC000358371853 147121282 /nfs/dbraw/zinc/12/12/82/147121282.db2.gz AYVAPQVWGCWGEM-RDJZCZTQSA-N 1 3 313.449 2.000 20 0 DEADHO C[C@@H]1C[C@H](NCCc2ncn(C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000358371852 147121721 /nfs/dbraw/zinc/12/17/21/147121721.db2.gz AYVAPQVWGCWGEM-NVXWUHKLSA-N 1 3 313.449 2.000 20 0 DEADHO C[C@@H]1C[C@H](NCCc2ncn(C)n2)CC[N@H+]1Cc1ccccc1 ZINC000358371852 147121723 /nfs/dbraw/zinc/12/17/23/147121723.db2.gz AYVAPQVWGCWGEM-NVXWUHKLSA-N 1 3 313.449 2.000 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000358417835 147130456 /nfs/dbraw/zinc/13/04/56/147130456.db2.gz FGYAQAOMBAGSNN-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000358417835 147130459 /nfs/dbraw/zinc/13/04/59/147130459.db2.gz FGYAQAOMBAGSNN-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000358601785 147164753 /nfs/dbraw/zinc/16/47/53/147164753.db2.gz ZAROMYDHUJXROT-OAHLLOKOSA-N 1 3 323.506 2.418 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000358601785 147164755 /nfs/dbraw/zinc/16/47/55/147164755.db2.gz ZAROMYDHUJXROT-OAHLLOKOSA-N 1 3 323.506 2.418 20 0 DEADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000359014074 147247174 /nfs/dbraw/zinc/24/71/74/147247174.db2.gz KMCWLRIUKPBMHP-NZSAHSFTSA-N 1 3 301.478 2.438 20 0 DEADHO C[C@H]1CC(C(=O)N(CC[NH3+])CCc2ccccc2)C[C@H](C)O1 ZINC000565659800 292175471 /nfs/dbraw/zinc/17/54/71/292175471.db2.gz HEWSEVSHHBIGCC-GJZGRUSLSA-N 1 3 304.434 2.220 20 0 DEADHO CC(C)([NH3+])CC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000370763104 148053238 /nfs/dbraw/zinc/05/32/38/148053238.db2.gz FFETXJABORLYBW-MRXNPFEDSA-N 1 3 303.450 2.142 20 0 DEADHO CC(C)(C(=O)NCc1ccc(C[NH3+])cc1)[C@H](N)c1ccccc1 ZINC000565892764 292189182 /nfs/dbraw/zinc/18/91/82/292189182.db2.gz MTADNIBWYHQJIV-QGZVFWFLSA-N 1 3 311.429 2.488 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NCc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000566009802 292197304 /nfs/dbraw/zinc/19/73/04/292197304.db2.gz MIKTXYLGQSJOMR-NWDGAFQWSA-N 1 3 316.405 2.063 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCCCN2CC)CC1 ZINC000111847957 401726028 /nfs/dbraw/zinc/72/60/28/401726028.db2.gz SXFWABBNFBWKKO-KRWDZBQOSA-N 1 3 324.513 2.425 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NCCC[NH+]2CCC(C)CC2)CN1C1CC1 ZINC000127361891 401731105 /nfs/dbraw/zinc/73/11/05/401731105.db2.gz MDCRXKWHZLHESC-HZPDHXFCSA-N 1 3 322.497 2.033 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000111445455 401716196 /nfs/dbraw/zinc/71/61/96/401716196.db2.gz FTBIDQNJWWGWCD-HNNXBMFYSA-N 1 3 324.513 2.469 20 0 DEADHO C[NH+](C)C[C@@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000114400452 401797970 /nfs/dbraw/zinc/79/79/70/401797970.db2.gz HOHGBATWTMMQBI-KRWDZBQOSA-N 1 3 315.461 2.306 20 0 DEADHO C[NH+](C)CCCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000114675107 401805973 /nfs/dbraw/zinc/80/59/73/401805973.db2.gz KMZNFIKSGAJJJI-INIZCTEOSA-N 1 3 321.440 2.106 20 0 DEADHO C[C@H](CC[NH2+]C[C@H](O)COc1ccccc1)N1CCCCC1 ZINC000566132052 292208770 /nfs/dbraw/zinc/20/87/70/292208770.db2.gz JFNNKWZKRXIFQV-SJORKVTESA-N 1 3 306.450 2.280 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000113616225 401784125 /nfs/dbraw/zinc/78/41/25/401784125.db2.gz COEIRVMIIUFWOD-HUUCEWRRSA-N 1 3 310.486 2.033 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000113616225 401784127 /nfs/dbraw/zinc/78/41/27/401784127.db2.gz COEIRVMIIUFWOD-HUUCEWRRSA-N 1 3 310.486 2.033 20 0 DEADHO CCN(C)CCNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000113605513 401784138 /nfs/dbraw/zinc/78/41/38/401784138.db2.gz NVWQWCZYFFVVOA-OAHLLOKOSA-N 1 3 320.481 2.367 20 0 DEADHO C[C@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000132209004 401863927 /nfs/dbraw/zinc/86/39/27/401863927.db2.gz ZKLANLBNMRQAMU-JQHSSLGASA-N 1 3 315.461 2.250 20 0 DEADHO CC[C@@]1(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)CCC[NH2+]1 ZINC000134603096 401907934 /nfs/dbraw/zinc/90/79/34/401907934.db2.gz QGCUSKMVZYBNQH-QAPCUYQASA-N 1 3 303.450 2.155 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@]2(C)CCC[NH2+]C2)CN1Cc1ccccc1 ZINC000120448739 401990332 /nfs/dbraw/zinc/99/03/32/401990332.db2.gz KJNNQQXRYMOGOM-HHXXYDBFSA-N 1 3 315.461 2.155 20 0 DEADHO COc1cc(CN(C)CC2CC[NH+](C)CC2)cc(OC)c1OC ZINC000093089195 402012219 /nfs/dbraw/zinc/01/22/19/402012219.db2.gz BBWQSYJZFWLVQW-UHFFFAOYSA-N 1 3 322.449 2.486 20 0 DEADHO COc1cc(C[N@H+](C)CC2CCN(C)CC2)cc(OC)c1OC ZINC000093089195 402012220 /nfs/dbraw/zinc/01/22/20/402012220.db2.gz BBWQSYJZFWLVQW-UHFFFAOYSA-N 1 3 322.449 2.486 20 0 DEADHO COc1cc(C[N@@H+](C)CC2CCN(C)CC2)cc(OC)c1OC ZINC000093089195 402012222 /nfs/dbraw/zinc/01/22/22/402012222.db2.gz BBWQSYJZFWLVQW-UHFFFAOYSA-N 1 3 322.449 2.486 20 0 DEADHO Cc1ccccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050802142 402030081 /nfs/dbraw/zinc/03/00/81/402030081.db2.gz ICXIKXAVRHZXRV-UHFFFAOYSA-N 1 3 315.461 2.283 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1ccccc1OCCN(C)C ZINC000122331050 402073266 /nfs/dbraw/zinc/07/32/66/402073266.db2.gz UTNMDYTUZJCCDT-RYRKJORJSA-N 1 3 319.493 2.445 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1ccccc1OCCN(C)C ZINC000122331050 402073267 /nfs/dbraw/zinc/07/32/67/402073267.db2.gz UTNMDYTUZJCCDT-RYRKJORJSA-N 1 3 319.493 2.445 20 0 DEADHO CCN(CC)CC(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000066725651 402140714 /nfs/dbraw/zinc/14/07/14/402140714.db2.gz SQEXMJGZBYMLAQ-UHFFFAOYSA-N 1 3 305.466 2.439 20 0 DEADHO CCN(CC)CC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000103132264 402179241 /nfs/dbraw/zinc/17/92/41/402179241.db2.gz SCLQLROVFLLGLL-GOSISDBHSA-N 1 3 317.477 2.009 20 0 DEADHO CCN(CC)CC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000103132264 402179244 /nfs/dbraw/zinc/17/92/44/402179244.db2.gz SCLQLROVFLLGLL-GOSISDBHSA-N 1 3 317.477 2.009 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](Cc1ccccc1)[NH+](CC)CC)N(C)C ZINC000124765125 402196152 /nfs/dbraw/zinc/19/61/52/402196152.db2.gz HEUFJOSCLNLGKY-MSOLQXFVSA-N 1 3 319.493 2.396 20 0 DEADHO CC[C@H](C)[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000101998144 402160803 /nfs/dbraw/zinc/16/08/03/402160803.db2.gz YRCJTMZZEWQYDQ-GJZGRUSLSA-N 1 3 324.513 2.279 20 0 DEADHO Cc1cc2ncc([C@H](C)[NH2+]C[C@@H]3CCN(C4CC4)C3)c(C)n2n1 ZINC000124363037 402176292 /nfs/dbraw/zinc/17/62/92/402176292.db2.gz DJYDGAWHFVZXTJ-ZFWWWQNUSA-N 1 3 313.449 2.481 20 0 DEADHO CN1CCC[C@H](CNC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000108552891 402257307 /nfs/dbraw/zinc/25/73/07/402257307.db2.gz GZCFLIFVOSFSMS-MRXNPFEDSA-N 1 3 324.513 2.282 20 0 DEADHO CN1CCC[C@H](CNC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000108552891 402257310 /nfs/dbraw/zinc/25/73/10/402257310.db2.gz GZCFLIFVOSFSMS-MRXNPFEDSA-N 1 3 324.513 2.282 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(OC)cc2)CC1 ZINC000154312422 402205184 /nfs/dbraw/zinc/20/51/84/402205184.db2.gz MEYJEWUPKRUMIG-INIZCTEOSA-N 1 3 305.466 2.373 20 0 DEADHO C[C@H](CNC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)N(C)C1CC1 ZINC000105173846 402206919 /nfs/dbraw/zinc/20/69/19/402206919.db2.gz JBLBYIPXORGAFC-IIDMSEBBSA-N 1 3 324.513 2.279 20 0 DEADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cccc(CN4CCCC4)c3)C[C@@H]12 ZINC000185060033 402321349 /nfs/dbraw/zinc/32/13/49/402321349.db2.gz IKSIPACQMHCERK-KZNAEPCWSA-N 1 3 313.445 2.092 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000236697323 402375337 /nfs/dbraw/zinc/37/53/37/402375337.db2.gz XFAQHOYWCFMENI-GOSISDBHSA-N 1 3 317.477 2.185 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000236757833 402380672 /nfs/dbraw/zinc/38/06/72/402380672.db2.gz XVBZLOLXEQQQMU-QGZVFWFLSA-N 1 3 303.450 2.457 20 0 DEADHO C[C@@H]1CCN(C(=O)C(C)(C)C[NH3+])CCN1Cc1ccccc1 ZINC000237428671 402408373 /nfs/dbraw/zinc/40/83/73/402408373.db2.gz ZNMJADTVDOOKDA-OAHLLOKOSA-N 1 3 303.450 2.094 20 0 DEADHO C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc([O-])cc(F)c2)CC1 ZINC000186218881 402412136 /nfs/dbraw/zinc/41/21/36/402412136.db2.gz XUTGWCWGQFYKNV-ZDUSSCGKSA-N 1 3 310.413 2.056 20 0 DEADHO C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc([O-])cc(F)c2)CC1 ZINC000186218881 402412140 /nfs/dbraw/zinc/41/21/40/402412140.db2.gz XUTGWCWGQFYKNV-ZDUSSCGKSA-N 1 3 310.413 2.056 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)C2(N)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000237566273 402413561 /nfs/dbraw/zinc/41/35/61/402413561.db2.gz MFNLPZWMTLOICP-WBVHZDCISA-N 1 3 315.461 2.427 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)C2(N)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000237566273 402413563 /nfs/dbraw/zinc/41/35/63/402413563.db2.gz MFNLPZWMTLOICP-WBVHZDCISA-N 1 3 315.461 2.427 20 0 DEADHO N[C@H](CC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000237837454 402423056 /nfs/dbraw/zinc/42/30/56/402423056.db2.gz NPSDEKMQHQXFNK-IAGOWNOFSA-N 1 3 301.434 2.163 20 0 DEADHO CCN(CC)[C@H](CNC(=O)C[NH2+]CC1CC1)c1ccsc1 ZINC000164902848 402470340 /nfs/dbraw/zinc/47/03/40/402470340.db2.gz YYOJPRLBNGHLAH-OAHLLOKOSA-N 1 3 309.479 2.247 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@H]([NH3+])C(C)C)N2CCCC2)cc1 ZINC000166322818 402483978 /nfs/dbraw/zinc/48/39/78/402483978.db2.gz OFZWODRRYHMMPL-IAGOWNOFSA-N 1 3 303.450 2.231 20 0 DEADHO CN(C)C(=O)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245785981 402487765 /nfs/dbraw/zinc/48/77/65/402487765.db2.gz ZMTQEYNLDFEUEX-NNZMDNLPSA-N 1 3 315.461 2.250 20 0 DEADHO CN(C)C(=O)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245785981 402487766 /nfs/dbraw/zinc/48/77/66/402487766.db2.gz ZMTQEYNLDFEUEX-NNZMDNLPSA-N 1 3 315.461 2.250 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000169118387 402500248 /nfs/dbraw/zinc/50/02/48/402500248.db2.gz DMIMMEUDAZPVCW-NXHRZFHOSA-N 1 3 315.461 2.013 20 0 DEADHO CC(C)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000247014823 402553461 /nfs/dbraw/zinc/55/34/61/402553461.db2.gz HFMBIBNBNUKQLW-SOLBZPMBSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000247014823 402553463 /nfs/dbraw/zinc/55/34/63/402553463.db2.gz HFMBIBNBNUKQLW-SOLBZPMBSA-N 1 3 321.509 2.486 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@H]2CCCN(C)C2)C1 ZINC000247259030 402561704 /nfs/dbraw/zinc/56/17/04/402561704.db2.gz WWLPFFDVVTUDOF-IAGOWNOFSA-N 1 3 324.513 2.140 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H]2CCCN(C)C2)C1 ZINC000247259030 402561707 /nfs/dbraw/zinc/56/17/07/402561707.db2.gz WWLPFFDVVTUDOF-IAGOWNOFSA-N 1 3 324.513 2.140 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H]3CCC[C@H]32)CC1 ZINC000247567967 402572548 /nfs/dbraw/zinc/57/25/48/402572548.db2.gz RMBHBZNHMAFCDI-DOTOQJQBSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000246491970 402533998 /nfs/dbraw/zinc/53/39/98/402533998.db2.gz SOVQILGYXMPWMZ-SJORKVTESA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000246491970 402534001 /nfs/dbraw/zinc/53/40/01/402534001.db2.gz SOVQILGYXMPWMZ-SJORKVTESA-N 1 3 324.513 2.280 20 0 DEADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000190207420 402584795 /nfs/dbraw/zinc/58/47/95/402584795.db2.gz XHHOIIVXTUPGGQ-HOTGVXAUSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)C[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000249584158 402635362 /nfs/dbraw/zinc/63/53/62/402635362.db2.gz SHZTZWBRMMBCON-KBAYOESNSA-N 1 3 315.461 2.155 20 0 DEADHO Cc1ccc(C(=O)NCCN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000249745770 402640029 /nfs/dbraw/zinc/64/00/29/402640029.db2.gz ZMYYRYWEAZRNNR-BFYDXBDKSA-N 1 3 303.450 2.043 20 0 DEADHO Cc1ccc(C(=O)NCCN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000249745770 402640031 /nfs/dbraw/zinc/64/00/31/402640031.db2.gz ZMYYRYWEAZRNNR-BFYDXBDKSA-N 1 3 303.450 2.043 20 0 DEADHO CO[C@H](C)CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000191139281 402644641 /nfs/dbraw/zinc/64/46/41/402644641.db2.gz JSBLQKXOKGDAPV-OAHLLOKOSA-N 1 3 305.466 2.342 20 0 DEADHO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000262030307 402721308 /nfs/dbraw/zinc/72/13/08/402721308.db2.gz YTQHQVBSYIGDSZ-USXIJHARSA-N 1 3 303.450 2.313 20 0 DEADHO Cc1ccccc1CN1CCC(NC(=O)[C@H](C)[C@H](C)[NH3+])CC1 ZINC000192093937 402710900 /nfs/dbraw/zinc/71/09/00/402710900.db2.gz IYFQRECHNTWNAI-CABCVRRESA-N 1 3 303.450 2.059 20 0 DEADHO [NH3+]C1(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CCCCC1 ZINC000261557545 402713742 /nfs/dbraw/zinc/71/37/42/402713742.db2.gz XJYXVKQWTMKTIV-INIZCTEOSA-N 1 3 301.434 2.039 20 0 DEADHO CCC[C@](C)([NH3+])C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000262015905 402721529 /nfs/dbraw/zinc/72/15/29/402721529.db2.gz WZPJMIMTPSJTDG-WMZOPIPTSA-N 1 3 303.450 2.457 20 0 DEADHO C[C@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)[C@H](C[NH3+])C1 ZINC000261877097 402718602 /nfs/dbraw/zinc/71/86/02/402718602.db2.gz SYOFMKVDEAAMPG-YJBOKZPZSA-N 1 3 315.461 2.482 20 0 DEADHO COCCC[C@@H](C)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000182264396 402677467 /nfs/dbraw/zinc/67/74/67/402677467.db2.gz SBNINMMZXSJPDA-QAPCUYQASA-N 1 3 306.450 2.158 20 0 DEADHO CCCC[N@H+](C)CC1CCN([C@H]2CCN(C(C)C)C2=O)CC1 ZINC000175110295 402780295 /nfs/dbraw/zinc/78/02/95/402780295.db2.gz JXBWENCTJDFKPK-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CCCC[N@@H+](C)CC1CCN([C@H]2CCN(C(C)C)C2=O)CC1 ZINC000175110295 402780297 /nfs/dbraw/zinc/78/02/97/402780297.db2.gz JXBWENCTJDFKPK-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO O=C(C[NH2+]CC1CC1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000263271175 402752752 /nfs/dbraw/zinc/75/27/52/402752752.db2.gz PDJQBWROFGLGNR-SFHVURJKSA-N 1 3 315.461 2.157 20 0 DEADHO CN(C)[C@H](CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])c1ccccc1 ZINC000263296077 402755273 /nfs/dbraw/zinc/75/52/73/402755273.db2.gz WIXVJXYCEWMNTG-JZXOWHBKSA-N 1 3 303.450 2.313 20 0 DEADHO CC[C@H](C)[C@@H](C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000183530681 402774074 /nfs/dbraw/zinc/77/40/74/402774074.db2.gz HQZNBGSEQBBWNY-LSDHHAIUSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](CC(=O)N(CCN(C)C)C1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000262318580 402724363 /nfs/dbraw/zinc/72/43/63/402724363.db2.gz QRLJVHWPAOXJAB-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](C[S@](C)=O)N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000184306951 402834393 /nfs/dbraw/zinc/83/43/93/402834393.db2.gz QSGIBEVILZBMEP-YPENRWOSSA-N 1 3 312.479 2.045 20 0 DEADHO CN(C)C/C=C/C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000271310719 402856589 /nfs/dbraw/zinc/85/65/89/402856589.db2.gz WVTOSCOFZCVPHX-RMKNXTFCSA-N 1 3 301.434 2.381 20 0 DEADHO OC1CCC([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CC1 ZINC000278903088 402883917 /nfs/dbraw/zinc/88/39/17/402883917.db2.gz IYAJKWIKFGUGNX-UHFFFAOYSA-N 1 3 318.461 2.036 20 0 DEADHO Cc1n[nH]c(CC[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)n1 ZINC000272482060 402942567 /nfs/dbraw/zinc/94/25/67/402942567.db2.gz AZLXTDRSLJGAEO-PBHICJAKSA-N 1 3 313.449 2.156 20 0 DEADHO Cc1nc(CC[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)n[nH]1 ZINC000272482060 402942568 /nfs/dbraw/zinc/94/25/68/402942568.db2.gz AZLXTDRSLJGAEO-PBHICJAKSA-N 1 3 313.449 2.156 20 0 DEADHO CN(C)CCOc1cc(C[NH2+]C2CC(OC(C)(C)C)C2)ccn1 ZINC000272560758 402952879 /nfs/dbraw/zinc/95/28/79/402952879.db2.gz DWZUKDYPRAIVAJ-UHFFFAOYSA-N 1 3 321.465 2.458 20 0 DEADHO CN(C)CCN1CCC([NH2+]CC2=Cc3ccccc3OC2)CC1 ZINC000338713126 404493560 /nfs/dbraw/zinc/49/35/60/404493560.db2.gz HNYUFVZTRKGGTF-UHFFFAOYSA-N 1 3 315.461 2.078 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H]2CCCC[NH2+]2)N2CCCC2)cc1 ZINC000237624651 292254372 /nfs/dbraw/zinc/25/43/72/292254372.db2.gz QOXRAIKQVWJWBG-MSOLQXFVSA-N 1 3 315.461 2.390 20 0 DEADHO C[C@@H]([NH2+]CCNC(=O)C1CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274825140 403091367 /nfs/dbraw/zinc/09/13/67/403091367.db2.gz CEPPEXOYWYGGIO-QAPCUYQASA-N 1 3 315.461 2.013 20 0 DEADHO C[C@@H](NCCNC(=O)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274825140 403091370 /nfs/dbraw/zinc/09/13/70/403091370.db2.gz CEPPEXOYWYGGIO-QAPCUYQASA-N 1 3 315.461 2.013 20 0 DEADHO C[C@@H](NCCNC(=O)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274825140 403091372 /nfs/dbraw/zinc/09/13/72/403091372.db2.gz CEPPEXOYWYGGIO-QAPCUYQASA-N 1 3 315.461 2.013 20 0 DEADHO C[C@H](CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)N(C)Cc1ccccc1 ZINC000280779212 403036039 /nfs/dbraw/zinc/03/60/39/403036039.db2.gz IDJCYGAHLYECRP-SZVBFZGTSA-N 1 3 315.461 2.013 20 0 DEADHO CNC(=O)C[C@H](C)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000268477400 403087047 /nfs/dbraw/zinc/08/70/47/403087047.db2.gz NZZUTMOSAMWWCI-HNNXBMFYSA-N 1 3 303.450 2.287 20 0 DEADHO [NH3+]CC[C@H]1CCCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000281934848 403105736 /nfs/dbraw/zinc/10/57/36/403105736.db2.gz KRLLEZICBQGERU-QZTJIDSGSA-N 1 3 315.461 2.238 20 0 DEADHO COCCN(C)CC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000268826492 403118357 /nfs/dbraw/zinc/11/83/57/403118357.db2.gz IMYBVMSODHFHOF-IEBWSBKVSA-N 1 3 319.493 2.065 20 0 DEADHO CCN1CC[C@@H]([NH2+]CC2(N(C)C)Cc3ccccc3C2)[C@@H](C)C1 ZINC000268886961 403120956 /nfs/dbraw/zinc/12/09/56/403120956.db2.gz LOMXQBSDRBOVKW-QFBILLFUSA-N 1 3 315.505 2.406 20 0 DEADHO C[C@H]1CN(C(=O)C2CCN(Cc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000269275343 403126938 /nfs/dbraw/zinc/12/69/38/403126938.db2.gz OJWAXURITXAGKN-YJBOKZPZSA-N 1 3 315.461 2.094 20 0 DEADHO CN(C)C1(CNC(=O)CCCCCC[NH3+])Cc2ccccc2C1 ZINC000269261909 403125674 /nfs/dbraw/zinc/12/56/74/403125674.db2.gz MVXCXKGNYKLHHU-UHFFFAOYSA-N 1 3 317.477 2.111 20 0 DEADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1cccc(O)c1 ZINC000282263062 403137880 /nfs/dbraw/zinc/13/78/80/403137880.db2.gz KBFATPJAHYLDFS-VHSSKADRSA-N 1 3 304.434 2.421 20 0 DEADHO OC[C@H](Cc1c[nH]c2ccccc12)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000269939035 403177273 /nfs/dbraw/zinc/17/72/73/403177273.db2.gz FXEGLSAKKOKXJD-YESZJQIVSA-N 1 3 313.445 2.288 20 0 DEADHO OC[C@H](Cc1c[nH]c2ccccc12)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000269939035 403177274 /nfs/dbraw/zinc/17/72/74/403177274.db2.gz FXEGLSAKKOKXJD-YESZJQIVSA-N 1 3 313.445 2.288 20 0 DEADHO O=C(NCC[NH2+]C1CCCCCC1)[C@@H]1CNCc2ccccc21 ZINC000566795356 292268682 /nfs/dbraw/zinc/26/86/82/292268682.db2.gz LGZSGSTWSJSSTN-GOSISDBHSA-N 1 3 315.461 2.302 20 0 DEADHO O=C(NCCNC1CC[NH+](C2CC2)CC1)c1ccccc1Cl ZINC000298334380 403360496 /nfs/dbraw/zinc/36/04/96/403360496.db2.gz IXZCIGIRZDFXTH-UHFFFAOYSA-N 1 3 321.852 2.286 20 0 DEADHO CCN(Cc1ccc(C(=O)NC[C@@H]2CC[NH2+]C2)cc1)C1CC1 ZINC000342747945 403332825 /nfs/dbraw/zinc/33/28/25/403332825.db2.gz WVSGIGVRVVEAAA-OAHLLOKOSA-N 1 3 301.434 2.010 20 0 DEADHO OC[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccc(F)cc1 ZINC000339067783 403342235 /nfs/dbraw/zinc/34/22/35/403342235.db2.gz IHOFLSBADYXUQX-JQHSSLGASA-N 1 3 306.425 2.193 20 0 DEADHO OC[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccc(F)cc1 ZINC000339067783 403342239 /nfs/dbraw/zinc/34/22/39/403342239.db2.gz IHOFLSBADYXUQX-JQHSSLGASA-N 1 3 306.425 2.193 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)N(C)C ZINC000298634538 403429763 /nfs/dbraw/zinc/42/97/63/403429763.db2.gz QUONULMQIHEUQF-BPQIPLTHSA-N 1 3 317.477 2.353 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N(C)C ZINC000298634538 403429768 /nfs/dbraw/zinc/42/97/68/403429768.db2.gz QUONULMQIHEUQF-BPQIPLTHSA-N 1 3 317.477 2.353 20 0 DEADHO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN2CCCC2)c(C)c1OC ZINC000285918499 403411258 /nfs/dbraw/zinc/41/12/58/403411258.db2.gz DPOJYDHGXYAKLI-HUUCEWRRSA-N 1 3 322.449 2.120 20 0 DEADHO CN(C)CCN1CCC([NH2+]CCc2cccc(Cl)c2)CC1 ZINC000298555342 403412649 /nfs/dbraw/zinc/41/26/49/403412649.db2.gz VHULUEWWSXHFNT-UHFFFAOYSA-N 1 3 309.885 2.498 20 0 DEADHO C[C@H](NC1CCN(c2cc[nH+]cc2)CC1)c1nnc2ccccn21 ZINC000298573910 403416866 /nfs/dbraw/zinc/41/68/66/403416866.db2.gz XEMNVKRFRJFOFQ-AWEZNQCLSA-N 1 3 322.416 2.444 20 0 DEADHO C[C@@H](NC1CCN(c2cc[nH+]cc2)CC1)c1nnc2ccccn21 ZINC000298573914 403417264 /nfs/dbraw/zinc/41/72/64/403417264.db2.gz XEMNVKRFRJFOFQ-CQSZACIVSA-N 1 3 322.416 2.444 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000298739456 403452706 /nfs/dbraw/zinc/45/27/06/403452706.db2.gz OIIJPUPPOXQDFS-SJORKVTESA-N 1 3 316.449 2.497 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000298739456 403452709 /nfs/dbraw/zinc/45/27/09/403452709.db2.gz OIIJPUPPOXQDFS-SJORKVTESA-N 1 3 316.449 2.497 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000293404327 403462858 /nfs/dbraw/zinc/46/28/58/403462858.db2.gz SDLCLHGAXFNMPA-OAHLLOKOSA-N 1 3 324.469 2.082 20 0 DEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000293404327 403462864 /nfs/dbraw/zinc/46/28/64/403462864.db2.gz SDLCLHGAXFNMPA-OAHLLOKOSA-N 1 3 324.469 2.082 20 0 DEADHO CC(C)[C@H](C)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000339992602 403518671 /nfs/dbraw/zinc/51/86/71/403518671.db2.gz SCFDHCBPYBZVBG-HNNXBMFYSA-N 1 3 324.513 2.231 20 0 DEADHO C[C@@H](CNC(=O)N1CCC(C[NH+](C)C)CC1)N1CCC(C)CC1 ZINC000339993635 403519489 /nfs/dbraw/zinc/51/94/89/403519489.db2.gz XTZIOGOICABIJK-INIZCTEOSA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)N1CCCCC1 ZINC000346336560 403585664 /nfs/dbraw/zinc/58/56/64/403585664.db2.gz XYSGTIIRAJCWJJ-WMZOPIPTSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)N1CCCCC1 ZINC000346336560 403585666 /nfs/dbraw/zinc/58/56/66/403585666.db2.gz XYSGTIIRAJCWJJ-WMZOPIPTSA-N 1 3 307.482 2.051 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2c(C)nn(C)c2C)[C@@H](C)C1 ZINC000346568454 403595030 /nfs/dbraw/zinc/59/50/30/403595030.db2.gz OSWSBIRPLGSXMH-KBXCAEBGSA-N 1 3 322.497 2.264 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000299978353 403580794 /nfs/dbraw/zinc/58/07/94/403580794.db2.gz ICSAFARELJQBPZ-CABCVRRESA-N 1 3 311.470 2.316 20 0 DEADHO CC(C)[N@H+]1CC[C@H](CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000299978353 403580796 /nfs/dbraw/zinc/58/07/96/403580796.db2.gz ICSAFARELJQBPZ-CABCVRRESA-N 1 3 311.470 2.316 20 0 DEADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000299978353 403580798 /nfs/dbraw/zinc/58/07/98/403580798.db2.gz ICSAFARELJQBPZ-CABCVRRESA-N 1 3 311.470 2.316 20 0 DEADHO COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000269051517 286356031 /nfs/dbraw/zinc/35/60/31/286356031.db2.gz RHFADIKUWCLAAB-GJZGRUSLSA-N 1 3 306.450 2.234 20 0 DEADHO COC(C)(C)[C@H](C)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000340518517 403634599 /nfs/dbraw/zinc/63/45/99/403634599.db2.gz UKSIBSWLYSNXEL-YOEHRIQHSA-N 1 3 306.450 2.156 20 0 DEADHO C[C@@H](CNC(=O)c1oc2ccccc2c1CN(C)C)C[NH+](C)C ZINC000294300492 403697003 /nfs/dbraw/zinc/69/70/03/403697003.db2.gz RGZDRBDRKWKZLJ-ZDUSSCGKSA-N 1 3 317.433 2.422 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000340938688 403705552 /nfs/dbraw/zinc/70/55/52/403705552.db2.gz NUIIVORRUKNLQS-YYIAUSFCSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000340938688 403705557 /nfs/dbraw/zinc/70/55/57/403705557.db2.gz NUIIVORRUKNLQS-YYIAUSFCSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+](C)C)cc2)CCN1C ZINC000340998658 403729428 /nfs/dbraw/zinc/72/94/28/403729428.db2.gz ZHZFPHVXUXBLBC-PBHICJAKSA-N 1 3 318.465 2.030 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000303479913 403755542 /nfs/dbraw/zinc/75/55/42/403755542.db2.gz PPYCJBIQWHRMLS-DLBZAZTESA-N 1 3 324.513 2.425 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000303479913 403755549 /nfs/dbraw/zinc/75/55/49/403755549.db2.gz PPYCJBIQWHRMLS-DLBZAZTESA-N 1 3 324.513 2.425 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)CC[C@@H]2CCC[NH2+]2)cc1 ZINC000295243556 403809395 /nfs/dbraw/zinc/80/93/95/403809395.db2.gz SWPDQJSTFCCJAP-IRXDYDNUSA-N 1 3 303.450 2.458 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N1CCN(C)CC[C@H]1C)C(C)C ZINC000347725644 403827604 /nfs/dbraw/zinc/82/76/04/403827604.db2.gz UHKAANCCIAHETO-MRXNPFEDSA-N 1 3 312.502 2.231 20 0 DEADHO C[C@H](c1ccccn1)[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343990676 403831016 /nfs/dbraw/zinc/83/10/16/403831016.db2.gz URIUDOYNZDMDFQ-NUJGCVRESA-N 1 3 302.466 2.100 20 0 DEADHO C[C@H](c1ccccn1)[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343990676 403831020 /nfs/dbraw/zinc/83/10/20/403831020.db2.gz URIUDOYNZDMDFQ-NUJGCVRESA-N 1 3 302.466 2.100 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000341155544 403799751 /nfs/dbraw/zinc/79/97/51/403799751.db2.gz FKZQLDKLKPLQSF-HRCADAONSA-N 1 3 310.486 2.033 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000341155544 403799755 /nfs/dbraw/zinc/79/97/55/403799755.db2.gz FKZQLDKLKPLQSF-HRCADAONSA-N 1 3 310.486 2.033 20 0 DEADHO COc1cccc([C@H](C)[NH2+]C[C@@H](O)CN2CCC(C)CC2)c1 ZINC000304731567 403799853 /nfs/dbraw/zinc/79/98/53/403799853.db2.gz RFENUZWROYFFLU-DOTOQJQBSA-N 1 3 306.450 2.439 20 0 DEADHO COC[C@H](C)NC(=[NH2+])NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000361805006 403875954 /nfs/dbraw/zinc/87/59/54/403875954.db2.gz WETAFIPLNIEJAK-RDJZCZTQSA-N 1 3 318.465 2.047 20 0 DEADHO CC(C)[C@@H](C(=O)NC1CC[NH+](CC2CC2)CC1)N1CCCCC1 ZINC000354570547 403881703 /nfs/dbraw/zinc/88/17/03/403881703.db2.gz FESUOVJRAVVVQJ-SFHVURJKSA-N 1 3 321.509 2.488 20 0 DEADHO CN1CCCC[C@H]1CC[N@H+](C)CCC(=O)Nc1cccnc1 ZINC000361824286 403890305 /nfs/dbraw/zinc/89/03/05/403890305.db2.gz BPSIEJZOSFJFFV-INIZCTEOSA-N 1 3 304.438 2.216 20 0 DEADHO CN1CCCC[C@H]1CC[N@@H+](C)CCC(=O)Nc1cccnc1 ZINC000361824286 403890310 /nfs/dbraw/zinc/89/03/10/403890310.db2.gz BPSIEJZOSFJFFV-INIZCTEOSA-N 1 3 304.438 2.216 20 0 DEADHO CC(C)C[C@H](N)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336654590 403911802 /nfs/dbraw/zinc/91/18/02/403911802.db2.gz CDTCBKIYYKSLMA-NXHRZFHOSA-N 1 3 317.477 2.387 20 0 DEADHO CC(C)C[C@H](N)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336654590 403911809 /nfs/dbraw/zinc/91/18/09/403911809.db2.gz CDTCBKIYYKSLMA-NXHRZFHOSA-N 1 3 317.477 2.387 20 0 DEADHO CN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000354642014 403922775 /nfs/dbraw/zinc/92/27/75/403922775.db2.gz PTGOVFUZTJQKAM-KRWDZBQOSA-N 1 3 322.497 2.131 20 0 DEADHO CN(C)CCN(C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)C1CCCC1 ZINC000344144036 403938513 /nfs/dbraw/zinc/93/85/13/403938513.db2.gz VTMIHFSDHRXFGH-DLBZAZTESA-N 1 3 322.497 2.129 20 0 DEADHO CN(C)CCN(C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)C1CCCC1 ZINC000344144036 403938515 /nfs/dbraw/zinc/93/85/15/403938515.db2.gz VTMIHFSDHRXFGH-DLBZAZTESA-N 1 3 322.497 2.129 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000362405767 403953885 /nfs/dbraw/zinc/95/38/85/403953885.db2.gz XEUZSTPCQDNOES-JLSDUUJJSA-N 1 3 317.477 2.166 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000362405767 403953892 /nfs/dbraw/zinc/95/38/92/403953892.db2.gz XEUZSTPCQDNOES-JLSDUUJJSA-N 1 3 317.477 2.166 20 0 DEADHO CC(C)N1CCN(CCC[NH+]2CCC([C@H]3CCOC3)CC2)CC1 ZINC000369196881 403998874 /nfs/dbraw/zinc/99/88/74/403998874.db2.gz HBWMTLMNGKLGOR-IBGZPJMESA-N 1 3 323.525 2.151 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000290090203 404035411 /nfs/dbraw/zinc/03/54/11/404035411.db2.gz WSSIQDVVUJLEDR-FGTMMUONSA-N 1 3 315.461 2.328 20 0 DEADHO CCC[N@H+](CCOc1ccccc1)CCN1CCN(CC)CC1 ZINC000344190942 403968298 /nfs/dbraw/zinc/96/82/98/403968298.db2.gz XZXKUKXGDLGEOT-UHFFFAOYSA-N 1 3 319.493 2.415 20 0 DEADHO CCC[N@@H+](CCOc1ccccc1)CCN1CCN(CC)CC1 ZINC000344190942 403968300 /nfs/dbraw/zinc/96/83/00/403968300.db2.gz XZXKUKXGDLGEOT-UHFFFAOYSA-N 1 3 319.493 2.415 20 0 DEADHO CCC[C@@]1(CO)CCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000337470363 404048044 /nfs/dbraw/zinc/04/80/44/404048044.db2.gz OZZBSFYXXZUPFU-SFHVURJKSA-N 1 3 311.514 2.030 20 0 DEADHO CCC[C@@]1(CO)CCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000337470363 404048052 /nfs/dbraw/zinc/04/80/52/404048052.db2.gz OZZBSFYXXZUPFU-SFHVURJKSA-N 1 3 311.514 2.030 20 0 DEADHO CCN1CC[C@H]([N@H+](C)CCCCCS(=O)(=O)CC)C[C@@H]1C ZINC000354861107 404062372 /nfs/dbraw/zinc/06/23/72/404062372.db2.gz QGBCQOSFKBGRCT-HOTGVXAUSA-N 1 3 318.527 2.396 20 0 DEADHO CCN1CC[C@H]([N@@H+](C)CCCCCS(=O)(=O)CC)C[C@@H]1C ZINC000354861107 404062379 /nfs/dbraw/zinc/06/23/79/404062379.db2.gz QGBCQOSFKBGRCT-HOTGVXAUSA-N 1 3 318.527 2.396 20 0 DEADHO Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCN(C3CC3)C2)c(C)c1 ZINC000321072852 404073425 /nfs/dbraw/zinc/07/34/25/404073425.db2.gz PZBWASUTXNQJAR-WMZOPIPTSA-N 1 3 318.461 2.117 20 0 DEADHO Cc1ccc(OC[C@@H](O)CNC[C@@H]2CC[N@@H+](C3CC3)C2)c(C)c1 ZINC000321072852 404073436 /nfs/dbraw/zinc/07/34/36/404073436.db2.gz PZBWASUTXNQJAR-WMZOPIPTSA-N 1 3 318.461 2.117 20 0 DEADHO Cc1ccc(OC[C@@H](O)CNC[C@@H]2CC[N@H+](C3CC3)C2)c(C)c1 ZINC000321072852 404073447 /nfs/dbraw/zinc/07/34/47/404073447.db2.gz PZBWASUTXNQJAR-WMZOPIPTSA-N 1 3 318.461 2.117 20 0 DEADHO CCC[N@@H+]1CC[C@H](CN[C@@H]2COc3ccc(OC)cc3C2)C1 ZINC000296126297 404105593 /nfs/dbraw/zinc/10/55/93/404105593.db2.gz VNVHXDGZAMUHMX-ZBFHGGJFSA-N 1 3 304.434 2.320 20 0 DEADHO CCC[N@H+]1CC[C@H](CN[C@@H]2COc3ccc(OC)cc3C2)C1 ZINC000296126297 404105601 /nfs/dbraw/zinc/10/56/01/404105601.db2.gz VNVHXDGZAMUHMX-ZBFHGGJFSA-N 1 3 304.434 2.320 20 0 DEADHO CCCN1CC[C@H](C[NH2+][C@@H]2COc3ccc(OC)cc3C2)C1 ZINC000296126297 404105609 /nfs/dbraw/zinc/10/56/09/404105609.db2.gz VNVHXDGZAMUHMX-ZBFHGGJFSA-N 1 3 304.434 2.320 20 0 DEADHO COCCOc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000290312031 404119911 /nfs/dbraw/zinc/11/99/11/404119911.db2.gz CFEXHPMPEINFDC-MAUKXSAKSA-N 1 3 306.450 2.484 20 0 DEADHO COCCOc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000290312031 404119920 /nfs/dbraw/zinc/11/99/20/404119920.db2.gz CFEXHPMPEINFDC-MAUKXSAKSA-N 1 3 306.450 2.484 20 0 DEADHO CCS(=O)(=O)C[C@H](C)[NH2+]CCCCN1CCCC[C@@H]1C ZINC000341756530 404153835 /nfs/dbraw/zinc/15/38/35/404153835.db2.gz DVSLAAITUHCVHM-GJZGRUSLSA-N 1 3 304.500 2.054 20 0 DEADHO COC(=O)c1coc(CN2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000369719998 404206475 /nfs/dbraw/zinc/20/64/75/404206475.db2.gz CYJDPILPCSHOKP-UHFFFAOYSA-N 1 3 306.406 2.374 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000349959311 404274507 /nfs/dbraw/zinc/27/45/07/404274507.db2.gz IQAOHKOGSBTKGK-SJORKVTESA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H](Cc1ccc(O)cc1)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000352389054 404335437 /nfs/dbraw/zinc/33/54/37/404335437.db2.gz ZGRXZJVFDKWWAI-QAPCUYQASA-N 1 3 306.450 2.006 20 0 DEADHO C[C@H]1CCN(C)CCN1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000355474892 404340138 /nfs/dbraw/zinc/34/01/38/404340138.db2.gz JDOWUKIWGPWDHD-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H]1CCN(C)CCN1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000355474892 404340141 /nfs/dbraw/zinc/34/01/41/404340141.db2.gz JDOWUKIWGPWDHD-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCN(C)CC[C@@H]2C)C1 ZINC000355472414 404340904 /nfs/dbraw/zinc/34/09/04/404340904.db2.gz DUMQHCQXLLOAMG-BBWFWOEESA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCN(C)CC[C@@H]2C)C1 ZINC000355472414 404340906 /nfs/dbraw/zinc/34/09/06/404340906.db2.gz DUMQHCQXLLOAMG-BBWFWOEESA-N 1 3 324.513 2.090 20 0 DEADHO Cc1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000370148445 404350878 /nfs/dbraw/zinc/35/08/78/404350878.db2.gz KVYSJFYQZCFOBT-MJGOQNOKSA-N 1 3 301.478 2.453 20 0 DEADHO CC(C)N1CCCN(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000356290574 404427954 /nfs/dbraw/zinc/42/79/54/404427954.db2.gz FYIWAPJUNVQOQC-KRWDZBQOSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)N1CCCN(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000356290574 404427958 /nfs/dbraw/zinc/42/79/58/404427958.db2.gz FYIWAPJUNVQOQC-KRWDZBQOSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H]1CN(CCC2CC[NH+](CCn3cccn3)CC2)C[C@H](C)O1 ZINC000370205814 404368554 /nfs/dbraw/zinc/36/85/54/404368554.db2.gz FXAUQGHAUCOKKO-CALCHBBNSA-N 1 3 320.481 2.094 20 0 DEADHO [NH3+][C@@H]1CCC[C@H]2CN(CCCOc3ccc4c(c3)OCO4)C[C@H]21 ZINC000342116815 404377646 /nfs/dbraw/zinc/37/76/46/404377646.db2.gz YTZFFYVAGUJJHO-NUEKZKHPSA-N 1 3 318.417 2.243 20 0 DEADHO CN(CCN1CCCC1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338537723 404386750 /nfs/dbraw/zinc/38/67/50/404386750.db2.gz PRKXZVFFIZXVFE-UHFFFAOYSA-N 1 3 315.461 2.450 20 0 DEADHO [NH3+]CC[C@H]1CCCCN1CCCOc1ccc2c(c1)OCO2 ZINC000352487800 404406978 /nfs/dbraw/zinc/40/69/78/404406978.db2.gz JBLLGONWJIWFDG-CQSZACIVSA-N 1 3 306.406 2.388 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352653382 404518761 /nfs/dbraw/zinc/51/87/61/404518761.db2.gz UENJINMIXLSDNX-SJLPKXTDSA-N 1 3 317.477 2.355 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352653382 404518770 /nfs/dbraw/zinc/51/87/70/404518770.db2.gz UENJINMIXLSDNX-SJLPKXTDSA-N 1 3 317.477 2.355 20 0 DEADHO CC(C)[C@@H](CNC(=O)NCCN(C)C1CC1)[NH+]1CCC(C)CC1 ZINC000352665801 404527903 /nfs/dbraw/zinc/52/79/03/404527903.db2.gz SMCNVCYMFXDEKC-QGZVFWFLSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H]1CCCN1C ZINC000338757028 404524518 /nfs/dbraw/zinc/52/45/18/404524518.db2.gz JLVDLIAERIOKIU-JKSUJKDBSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H]1CCCN1C ZINC000338757028 404524526 /nfs/dbraw/zinc/52/45/26/404524526.db2.gz JLVDLIAERIOKIU-JKSUJKDBSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@@H]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C[C@H]1C ZINC000414196384 404545022 /nfs/dbraw/zinc/54/50/22/404545022.db2.gz OUFNHMGSGPVEMD-KZNAEPCWSA-N 1 3 323.525 2.197 20 0 DEADHO CC(C)[C@@H]1CCC[C@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414200936 404547012 /nfs/dbraw/zinc/54/70/12/404547012.db2.gz SAOHOKBESNFBLF-ZWKOTPCHSA-N 1 3 323.525 2.197 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000291915487 404579200 /nfs/dbraw/zinc/57/92/00/404579200.db2.gz RCNZLUGEGBFAGP-QAPCUYQASA-N 1 3 315.461 2.107 20 0 DEADHO CC(=O)NCCc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000356674097 404649887 /nfs/dbraw/zinc/64/98/87/404649887.db2.gz APHGPVHKFHXYET-DOXZYTNZSA-N 1 3 317.477 2.499 20 0 DEADHO CC(=O)NCCc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000356674097 404649896 /nfs/dbraw/zinc/64/98/96/404649896.db2.gz APHGPVHKFHXYET-DOXZYTNZSA-N 1 3 317.477 2.499 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H](c2ccc(F)cc2)N2CCOCC2)C1 ZINC000567487753 292318078 /nfs/dbraw/zinc/31/80/78/292318078.db2.gz YXQOBZJMGBENIY-SQNIBIBYSA-N 1 3 321.440 2.059 20 0 DEADHO Cc1c(F)cccc1NC(=O)CCN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351482120 404597132 /nfs/dbraw/zinc/59/71/32/404597132.db2.gz YXWDGDUTCWRKRX-GUTXKFCHSA-N 1 3 305.397 2.132 20 0 DEADHO CN(C[C@@H](O)CN1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000351500181 404612353 /nfs/dbraw/zinc/61/23/53/404612353.db2.gz WTXAPPKJGMAXFH-IEBWSBKVSA-N 1 3 323.525 2.030 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000338923210 404626246 /nfs/dbraw/zinc/62/62/46/404626246.db2.gz GXHOUJKBUZTKTI-INIZCTEOSA-N 1 3 307.482 2.097 20 0 DEADHO O=C(c1cccc(CN2CCCC2)c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000365358432 404631352 /nfs/dbraw/zinc/63/13/52/404631352.db2.gz OKOXLQBVZZJIQX-AEFFLSMTSA-N 1 3 313.445 2.106 20 0 DEADHO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414561778 404682677 /nfs/dbraw/zinc/68/26/77/404682677.db2.gz ZTTWBNZPTIEQBS-KDOFPFPSSA-N 1 3 315.461 2.130 20 0 DEADHO CC(=O)NCCN(Cc1ccc(C)s1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414770484 404729578 /nfs/dbraw/zinc/72/95/78/404729578.db2.gz YCIIAOMTKLIRPI-CZUORRHYSA-N 1 3 323.506 2.383 20 0 DEADHO CCOc1c(Cl)cccc1CNCCCN1CC[NH2+]CC1 ZINC000414774412 404730668 /nfs/dbraw/zinc/73/06/68/404730668.db2.gz BDHHEYYWJTZTOQ-UHFFFAOYSA-N 1 3 311.857 2.124 20 0 DEADHO COC(=O)c1cc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)oc1C ZINC000414774090 404730720 /nfs/dbraw/zinc/73/07/20/404730720.db2.gz FGCUAXFJSBTUBG-ZIAGYGMSSA-N 1 3 306.406 2.196 20 0 DEADHO COc1cc(C[NH2+][C@H](C)CN)ccc1OCc1ccncc1 ZINC000414940270 404771036 /nfs/dbraw/zinc/77/10/36/404771036.db2.gz ZMAFJUSWAIRSAA-CYBMUJFWSA-N 1 3 301.390 2.106 20 0 DEADHO CCOC(=O)COc1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000414795710 404737663 /nfs/dbraw/zinc/73/76/63/404737663.db2.gz GZFDPOXQEUDJQQ-NVXWUHKLSA-N 1 3 320.433 2.236 20 0 DEADHO CCCN1CCN(c2ccccc2CNC[C@H]([NH3+])C(C)C)CC1 ZINC000414794105 404737864 /nfs/dbraw/zinc/73/78/64/404737864.db2.gz LJEZGVJDMGEXHK-SFHVURJKSA-N 1 3 318.509 2.292 20 0 DEADHO NC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000414795338 404738119 /nfs/dbraw/zinc/73/81/19/404738119.db2.gz GSECEKLBAWPCHM-AEFFLSMTSA-N 1 3 302.466 2.153 20 0 DEADHO NC[C@H]1CCC[C@H]1[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000414813651 404740506 /nfs/dbraw/zinc/74/05/06/404740506.db2.gz YOGWLFMXYYFQMR-IEBWSBKVSA-N 1 3 301.478 2.411 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000414839439 404746136 /nfs/dbraw/zinc/74/61/36/404746136.db2.gz XMKMIKZGAAPSJH-KBPBESRZSA-N 1 3 305.422 2.002 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCNC2)cc1 ZINC000414839439 404746141 /nfs/dbraw/zinc/74/61/41/404746141.db2.gz XMKMIKZGAAPSJH-KBPBESRZSA-N 1 3 305.422 2.002 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353117116 404746233 /nfs/dbraw/zinc/74/62/33/404746233.db2.gz ZTJLKIQCVRRHLB-TVXGVJEUSA-N 1 3 322.497 2.127 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353117116 404746237 /nfs/dbraw/zinc/74/62/37/404746237.db2.gz ZTJLKIQCVRRHLB-TVXGVJEUSA-N 1 3 322.497 2.127 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000357857063 404746829 /nfs/dbraw/zinc/74/68/29/404746829.db2.gz DAPAVMPWOOGCGG-KKUMJFAQSA-N 1 3 310.486 2.031 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000357857063 404746830 /nfs/dbraw/zinc/74/68/30/404746830.db2.gz DAPAVMPWOOGCGG-KKUMJFAQSA-N 1 3 310.486 2.031 20 0 DEADHO Cc1csc(N2CCC([NH2+][C@H](C)[C@H]3CCCNC3)CC2)n1 ZINC000414846301 404748065 /nfs/dbraw/zinc/74/80/65/404748065.db2.gz DXQPGTQEIMSISN-KGLIPLIRSA-N 1 3 308.495 2.398 20 0 DEADHO CN(c1ccccc1CN[C@H]1CCC[NH2+]C1)C1CCN(C)CC1 ZINC000414871312 404753304 /nfs/dbraw/zinc/75/33/04/404753304.db2.gz ULBPCHNTQOEAJE-KRWDZBQOSA-N 1 3 316.493 2.059 20 0 DEADHO c1cc(CNCCN2CC[NH2+]CC2)cc(OC2CCCC2)c1 ZINC000414874199 404754923 /nfs/dbraw/zinc/75/49/23/404754923.db2.gz YSLXOAVCSLNGRT-UHFFFAOYSA-N 1 3 303.450 2.003 20 0 DEADHO CN(CC[NH2+]C(C)(C)C)C1CCN(CCc2ccccn2)CC1 ZINC000414689655 404708709 /nfs/dbraw/zinc/70/87/09/404708709.db2.gz LNISDEFPUMCACT-UHFFFAOYSA-N 1 3 318.509 2.408 20 0 DEADHO C[C@@H]1C[C@@H](CN2CCN(c3cc(F)ccc3F)CC2)CC[NH2+]1 ZINC000414702921 404711622 /nfs/dbraw/zinc/71/16/22/404711622.db2.gz VNNYESJXJXPUQX-KGLIPLIRSA-N 1 3 309.404 2.475 20 0 DEADHO Cc1ccc(C)c([C@H](C)[N@H+](C)C[C@H]2CCCN(C(=O)CN)C2)c1 ZINC000414709447 404713005 /nfs/dbraw/zinc/71/30/05/404713005.db2.gz RFHQOAVFGIMKFG-DLBZAZTESA-N 1 3 317.477 2.494 20 0 DEADHO Cc1ccc(C)c([C@H](C)[N@@H+](C)C[C@H]2CCCN(C(=O)CN)C2)c1 ZINC000414709447 404713009 /nfs/dbraw/zinc/71/30/09/404713009.db2.gz RFHQOAVFGIMKFG-DLBZAZTESA-N 1 3 317.477 2.494 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CCCC1CCOCC1 ZINC000375067949 404716546 /nfs/dbraw/zinc/71/65/46/404716546.db2.gz FZYKXEBPZUZCAL-SQNIBIBYSA-N 1 3 310.482 2.377 20 0 DEADHO C[C@@H](C(=O)N1CCC2(CCC[N@@H+]2C)CC1)N1[C@H](C)CC[C@@H]1C ZINC000375202049 404719125 /nfs/dbraw/zinc/71/91/25/404719125.db2.gz OQXQETJLEJUMKP-XHSDSOJGSA-N 1 3 307.482 2.335 20 0 DEADHO C[C@@H](C(=O)N1CCC2(CCC[N@H+]2C)CC1)N1[C@H](C)CC[C@@H]1C ZINC000375202049 404719129 /nfs/dbraw/zinc/71/91/29/404719129.db2.gz OQXQETJLEJUMKP-XHSDSOJGSA-N 1 3 307.482 2.335 20 0 DEADHO CSc1ccccc1C[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414747808 404722514 /nfs/dbraw/zinc/72/25/14/404722514.db2.gz SVIAUZPAGMIRRQ-AWEZNQCLSA-N 1 3 321.490 2.038 20 0 DEADHO CSc1ccccc1C[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414747808 404722516 /nfs/dbraw/zinc/72/25/16/404722516.db2.gz SVIAUZPAGMIRRQ-AWEZNQCLSA-N 1 3 321.490 2.038 20 0 DEADHO COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@]1(COC)CCCN1 ZINC000414936308 404770477 /nfs/dbraw/zinc/77/04/77/404770477.db2.gz BYIFHHHBXTZTRW-ROUUACIJSA-N 1 3 324.440 2.132 20 0 DEADHO COc1ccc(F)c(N2CCN(C[C@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000414752000 404724436 /nfs/dbraw/zinc/72/44/36/404724436.db2.gz BLYGBQWGRDHPNC-CABCVRRESA-N 1 3 321.440 2.344 20 0 DEADHO CC[C@H]1CCCCN1C(=O)CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357066699 404726110 /nfs/dbraw/zinc/72/61/10/404726110.db2.gz CBDSAZFGMYCLFB-IRXDYDNUSA-N 1 3 307.482 2.099 20 0 DEADHO COC[C@@]1(C[NH2+][C@@H](C)CCc2ccc(OC)c(O)c2)CCCN1 ZINC000414958631 404776502 /nfs/dbraw/zinc/77/65/02/404776502.db2.gz RHHFEBNPJFDMKS-KSSFIOAISA-N 1 3 322.449 2.080 20 0 DEADHO O=C1CC[C@@H](NCc2ccc(Cl)cc2)[C@H](C2CC[NH2+]CC2)N1 ZINC000414981916 404780956 /nfs/dbraw/zinc/78/09/56/404780956.db2.gz CLZJEWVBWDKWER-WBVHZDCISA-N 1 3 321.852 2.076 20 0 DEADHO CO[C@]1(C[NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)CCOC1 ZINC000359431737 404793619 /nfs/dbraw/zinc/79/36/19/404793619.db2.gz UVJNXZWZXGWZNP-NXHRZFHOSA-N 1 3 310.482 2.425 20 0 DEADHO Fc1cccc(Cl)c1CCC[NH2+]C[C@@H]1CNCCCO1 ZINC000415042038 404794328 /nfs/dbraw/zinc/79/43/28/404794328.db2.gz QBMMDAOWVIVIBX-GFCCVEGCSA-N 1 3 300.805 2.380 20 0 DEADHO CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000353467802 404838231 /nfs/dbraw/zinc/83/82/31/404838231.db2.gz AHVMBFAOGUKNFU-PVAVHDDUSA-N 1 3 303.450 2.312 20 0 DEADHO CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000353638793 404896843 /nfs/dbraw/zinc/89/68/43/404896843.db2.gz ORGQJJQNJLWPSN-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@H](CO)[C@H]3CCOC3)CC2)C1 ZINC000360882566 404844358 /nfs/dbraw/zinc/84/43/58/404844358.db2.gz FLERRNLVLPWIHH-DFEOGRTESA-N 1 3 324.509 2.264 20 0 DEADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@@H](CO)[C@H]3CCOC3)CC2)C1 ZINC000360882566 404844363 /nfs/dbraw/zinc/84/43/63/404844363.db2.gz FLERRNLVLPWIHH-DFEOGRTESA-N 1 3 324.509 2.264 20 0 DEADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@H](CO)[C@@H]2CCOC2)CC1 ZINC000360883993 404844417 /nfs/dbraw/zinc/84/44/17/404844417.db2.gz MIRCLCFOROGEOX-VXNCWWDNSA-N 1 3 324.509 2.264 20 0 DEADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@H](CO)[C@@H]3CCOC3)CC2)C1 ZINC000360882567 404844781 /nfs/dbraw/zinc/84/47/81/404844781.db2.gz FLERRNLVLPWIHH-MTNOOBJLSA-N 1 3 324.509 2.264 20 0 DEADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@H](CO)[C@@H]3CCOC3)CC2)C1 ZINC000360882567 404844783 /nfs/dbraw/zinc/84/47/83/404844783.db2.gz FLERRNLVLPWIHH-MTNOOBJLSA-N 1 3 324.509 2.264 20 0 DEADHO C(CN1CC[C@H]([C@@H]2CCOC2)C1)C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000367187897 404958670 /nfs/dbraw/zinc/95/86/70/404958670.db2.gz UFGXESATTWKFCB-SEXKYXSUSA-N 1 3 322.493 2.093 20 0 DEADHO C(CN1CC[C@H]([C@@H]2CCOC2)C1)C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000367187897 404958671 /nfs/dbraw/zinc/95/86/71/404958671.db2.gz UFGXESATTWKFCB-SEXKYXSUSA-N 1 3 322.493 2.093 20 0 DEADHO C(CN1CC[C@@H]([C@H]2CCOC2)C1)C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000367187897 404958675 /nfs/dbraw/zinc/95/86/75/404958675.db2.gz UFGXESATTWKFCB-SEXKYXSUSA-N 1 3 322.493 2.093 20 0 DEADHO C(CN1CC[C@@H]([C@H]2CCOC2)C1)C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000367187897 404958679 /nfs/dbraw/zinc/95/86/79/404958679.db2.gz UFGXESATTWKFCB-SEXKYXSUSA-N 1 3 322.493 2.093 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415889930 404961532 /nfs/dbraw/zinc/96/15/32/404961532.db2.gz CPMQRGBMJLDMOP-ZDUSSCGKSA-N 1 3 304.438 2.183 20 0 DEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415889930 404961538 /nfs/dbraw/zinc/96/15/38/404961538.db2.gz CPMQRGBMJLDMOP-ZDUSSCGKSA-N 1 3 304.438 2.183 20 0 DEADHO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000415895217 404964408 /nfs/dbraw/zinc/96/44/08/404964408.db2.gz MWRNPWHECLBVFI-QGZVFWFLSA-N 1 3 316.449 2.280 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC000361078917 404907280 /nfs/dbraw/zinc/90/72/80/404907280.db2.gz IXJNDZKONLRJMQ-UHFFFAOYSA-N 1 3 317.433 2.228 20 0 DEADHO CC[N@H+](Cc1ccc(C(=O)N2CCN[C@H](C)[C@H]2C)cc1)C1CC1 ZINC000434667715 404920742 /nfs/dbraw/zinc/92/07/42/404920742.db2.gz YKSCPZIRZWUKSI-HUUCEWRRSA-N 1 3 315.461 2.493 20 0 DEADHO CC[N@@H+](Cc1ccc(C(=O)N2CCN[C@H](C)[C@H]2C)cc1)C1CC1 ZINC000434667715 404920745 /nfs/dbraw/zinc/92/07/45/404920745.db2.gz YKSCPZIRZWUKSI-HUUCEWRRSA-N 1 3 315.461 2.493 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000423938603 404936731 /nfs/dbraw/zinc/93/67/31/404936731.db2.gz JPDDKZOSTWBXKS-GOSISDBHSA-N 1 3 317.477 2.485 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000361275565 405004905 /nfs/dbraw/zinc/00/49/05/405004905.db2.gz XPDMJSIKFYHGRM-GASCZTMLSA-N 1 3 307.482 2.382 20 0 DEADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000367308296 405005876 /nfs/dbraw/zinc/00/58/76/405005876.db2.gz CIMGDRZUVKJBOL-HOTGVXAUSA-N 1 3 316.449 2.216 20 0 DEADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000367308296 405005881 /nfs/dbraw/zinc/00/58/81/405005881.db2.gz CIMGDRZUVKJBOL-HOTGVXAUSA-N 1 3 316.449 2.216 20 0 DEADHO COc1ccsc1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000354041027 405016086 /nfs/dbraw/zinc/01/60/86/405016086.db2.gz QMRDJPDAHMUMTL-GJZGRUSLSA-N 1 3 323.506 2.215 20 0 DEADHO COc1ccsc1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000354041027 405016091 /nfs/dbraw/zinc/01/60/91/405016091.db2.gz QMRDJPDAHMUMTL-GJZGRUSLSA-N 1 3 323.506 2.215 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000417074753 405027019 /nfs/dbraw/zinc/02/70/19/405027019.db2.gz UOYQBYOSNCOFER-WMLDXEAASA-N 1 3 318.465 2.017 20 0 DEADHO C[C@@H](CNC(=O)C[C@H](c1ccccc1)[NH+](C)C)N(C)C1CC1 ZINC000435926795 405028622 /nfs/dbraw/zinc/02/86/22/405028622.db2.gz KTOBENRIAWRQFK-WMLDXEAASA-N 1 3 303.450 2.278 20 0 DEADHO C[C@@H](CCNC(=O)[C@@H]1C[C@H](C)CCN1)[N@H+](C)Cc1ccccc1 ZINC000379680374 405030127 /nfs/dbraw/zinc/03/01/27/405030127.db2.gz MEJJAJYOHJAQNE-RYRKJORJSA-N 1 3 317.477 2.401 20 0 DEADHO C[C@@H](CCNC(=O)[C@@H]1C[C@H](C)CCN1)[N@@H+](C)Cc1ccccc1 ZINC000379680374 405030130 /nfs/dbraw/zinc/03/01/30/405030130.db2.gz MEJJAJYOHJAQNE-RYRKJORJSA-N 1 3 317.477 2.401 20 0 DEADHO C[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1ccc(OCCN(C)C)cc1 ZINC000361345812 405032018 /nfs/dbraw/zinc/03/20/18/405032018.db2.gz KVQQVKRBZODJLM-KDOFPFPSSA-N 1 3 306.450 2.439 20 0 DEADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000382716241 405032306 /nfs/dbraw/zinc/03/23/06/405032306.db2.gz DQUWPJKRHKOGBK-SOLBZPMBSA-N 1 3 315.461 2.107 20 0 DEADHO COC1CCN(C(C)(C)C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)CC1 ZINC000361209251 404974729 /nfs/dbraw/zinc/97/47/29/404974729.db2.gz RQIRJTGMBWISBU-HLLBOEOZSA-N 1 3 311.514 2.194 20 0 DEADHO C[NH2+]Cc1cccc(NC(=O)N[C@H](C)CN2CCCCC2)c1 ZINC000415938496 404978058 /nfs/dbraw/zinc/97/80/58/404978058.db2.gz YZXSFQXASWVKFS-CQSZACIVSA-N 1 3 304.438 2.402 20 0 DEADHO CC[C@H](C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)N(CC)CC ZINC000424039949 404980164 /nfs/dbraw/zinc/98/01/64/404980164.db2.gz FCFOUZGTRRUYFE-CMPFZWEDSA-N 1 3 321.509 2.377 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000424040915 404981235 /nfs/dbraw/zinc/98/12/35/404981235.db2.gz MMAWTVJYLGDKJQ-CVEARBPZSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1[C@@H](NC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CCCN1C ZINC000415977661 404992135 /nfs/dbraw/zinc/99/21/35/404992135.db2.gz SWDARRHNPNHVCN-FZMZJTMJSA-N 1 3 320.412 2.076 20 0 DEADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000417003163 404994653 /nfs/dbraw/zinc/99/46/53/404994653.db2.gz BFDJNCOCDUUSNX-KLHDSHLOSA-N 1 3 310.486 2.018 20 0 DEADHO Cc1ccc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cn1 ZINC000361262323 404998303 /nfs/dbraw/zinc/99/83/03/404998303.db2.gz MFYOHYXFYHUFSA-UHFFFAOYSA-N 1 3 316.493 2.240 20 0 DEADHO C[C@H](CC[NH3+])NC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000417735124 405094750 /nfs/dbraw/zinc/09/47/50/405094750.db2.gz KZAHPOHKDOOINM-IPYPFGDCSA-N 1 3 324.494 2.168 20 0 DEADHO Cc1cc(CN)cc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000424438847 405095025 /nfs/dbraw/zinc/09/50/25/405095025.db2.gz QPCDESBIZSEYRQ-OAHLLOKOSA-N 1 3 316.449 2.403 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1(C[NH3+])CCCC1 ZINC000389943796 405042000 /nfs/dbraw/zinc/04/20/00/405042000.db2.gz PRDFQGIXUVFKJV-WBVHZDCISA-N 1 3 315.461 2.142 20 0 DEADHO CCn1nc(C)c(CN2CC[C@@H](OCC[NH+](CC)CC)C2)c1C ZINC000354097973 405042898 /nfs/dbraw/zinc/04/28/98/405042898.db2.gz UHRDICCBIGAUJV-QGZVFWFLSA-N 1 3 322.497 2.453 20 0 DEADHO CC(C)N(CCN1CCCOCC1)CC[NH+]1CCCCCC1 ZINC000361379057 405047131 /nfs/dbraw/zinc/04/71/31/405047131.db2.gz TWXLIHZENLEVEW-UHFFFAOYSA-N 1 3 311.514 2.295 20 0 DEADHO C[C@H](NCc1c(Br)cnn1C)C1CC[NH+](C)CC1 ZINC000396465158 405056212 /nfs/dbraw/zinc/05/62/12/405056212.db2.gz SDIGUJRHNROXSI-JTQLQIEISA-N 1 3 315.259 2.003 20 0 DEADHO COc1cccc(NC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424294459 405060649 /nfs/dbraw/zinc/06/06/49/405060649.db2.gz QMKIFQOZSRPLMH-CQSZACIVSA-N 1 3 317.433 2.098 20 0 DEADHO COc1cccc(NC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424294458 405061700 /nfs/dbraw/zinc/06/17/00/405061700.db2.gz QMKIFQOZSRPLMH-AWEZNQCLSA-N 1 3 317.433 2.098 20 0 DEADHO CC1CCN([C@H](CNC(=O)N(C)CC[NH3+])c2ccccc2)CC1 ZINC000417218481 405066139 /nfs/dbraw/zinc/06/61/39/405066139.db2.gz SZTRNUBYIZEGNH-QGZVFWFLSA-N 1 3 318.465 2.060 20 0 DEADHO CC[NH2+][C@H](C)CNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000417221457 405066595 /nfs/dbraw/zinc/06/65/95/405066595.db2.gz NNBPRLUUSPEJHY-VYDXJSESSA-N 1 3 318.465 2.119 20 0 DEADHO CC[NH2+][C@H](C)CNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000417221456 405067292 /nfs/dbraw/zinc/06/72/92/405067292.db2.gz NNBPRLUUSPEJHY-INMHGKMJSA-N 1 3 318.465 2.119 20 0 DEADHO C[C@H](C(=O)N1CCCC[C@H]1C[NH+](C)C)[C@H](N)c1ccccc1 ZINC000404909930 405069187 /nfs/dbraw/zinc/06/91/87/405069187.db2.gz BLLDTIPHKYSGDT-XIRDDKMYSA-N 1 3 303.450 2.265 20 0 DEADHO C[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000418511135 405130481 /nfs/dbraw/zinc/13/04/81/405130481.db2.gz IXZGHTOJURGASW-HLLBOEOZSA-N 1 3 318.465 2.028 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000418647939 405149110 /nfs/dbraw/zinc/14/91/10/405149110.db2.gz HGXLDANQHNKMAR-CXAGYDPISA-N 1 3 318.465 2.018 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418663812 405157381 /nfs/dbraw/zinc/15/73/81/405157381.db2.gz YXKXYVXJOKYBDF-KRWDZBQOSA-N 1 3 320.481 2.448 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418651297 405151295 /nfs/dbraw/zinc/15/12/95/405151295.db2.gz LMSHZNHYHXRZTE-UKPHBRMFSA-N 1 3 318.465 2.066 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418716609 405178921 /nfs/dbraw/zinc/17/89/21/405178921.db2.gz JFVHRPALVGBOGK-IAGOWNOFSA-N 1 3 324.513 2.411 20 0 DEADHO CN(C)CCN(C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)C1CCCC1 ZINC000418729455 405183883 /nfs/dbraw/zinc/18/38/83/405183883.db2.gz RRHFYLQIZURIRQ-LSDHHAIUSA-N 1 3 310.486 2.020 20 0 DEADHO C[C@H](CCCC[NH3+])NC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000418692659 405169035 /nfs/dbraw/zinc/16/90/35/405169035.db2.gz IRAIQYMMTKMTCA-LSDHHAIUSA-N 1 3 310.486 2.020 20 0 DEADHO C[C@H](CCCc1cccnc1)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000453072745 405281876 /nfs/dbraw/zinc/28/18/76/405281876.db2.gz FZJQEUMNKZGZKC-QGZVFWFLSA-N 1 3 318.509 2.408 20 0 DEADHO CN(C)CCN(C)CCC[N@H+](C)C[C@H]1CCOc2ccccc21 ZINC000368142710 405229414 /nfs/dbraw/zinc/22/94/14/405229414.db2.gz MSDVYTXDAPPCSI-QGZVFWFLSA-N 1 3 319.493 2.368 20 0 DEADHO CN(C)CCN(C)CCC[N@@H+](C)C[C@H]1CCOc2ccccc21 ZINC000368142710 405229416 /nfs/dbraw/zinc/22/94/16/405229416.db2.gz MSDVYTXDAPPCSI-QGZVFWFLSA-N 1 3 319.493 2.368 20 0 DEADHO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000419328825 405239175 /nfs/dbraw/zinc/23/91/75/405239175.db2.gz AKDRQCLGXLKWKT-KYHPRHEASA-N 1 3 317.477 2.382 20 0 DEADHO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000419328825 405239176 /nfs/dbraw/zinc/23/91/76/405239176.db2.gz AKDRQCLGXLKWKT-KYHPRHEASA-N 1 3 317.477 2.382 20 0 DEADHO COC(=O)c1cc2cc(CN3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)ccc2o1 ZINC000420299719 405310864 /nfs/dbraw/zinc/31/08/64/405310864.db2.gz BLLZJFMEZPMKRT-QEJZJMRPSA-N 1 3 314.385 2.389 20 0 DEADHO CN(CC[C@@H]1CC[NH2+]C1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000420305543 405312332 /nfs/dbraw/zinc/31/23/32/405312332.db2.gz PNRTVRKAAMISNZ-XJKSGUPXSA-N 1 3 321.852 2.377 20 0 DEADHO CCOc1ccccc1NC(=O)CCN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000420306357 405312827 /nfs/dbraw/zinc/31/28/27/405312827.db2.gz AJYBHCDAHHZXLR-UONOGXRCSA-N 1 3 305.422 2.083 20 0 DEADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCCc1ccsc1 ZINC000420308539 405313496 /nfs/dbraw/zinc/31/34/96/405313496.db2.gz KLLRQBMVBJWXFR-OAHLLOKOSA-N 1 3 309.479 2.000 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN2C[C@H]3CCCCN3C[C@H]2C)cc1 ZINC000420318039 405317053 /nfs/dbraw/zinc/31/70/53/405317053.db2.gz NQLUZRNOOIRJNU-KBAYOESNSA-N 1 3 317.477 2.296 20 0 DEADHO COC(=O)CCN1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000420316537 405317155 /nfs/dbraw/zinc/31/71/55/405317155.db2.gz SXTGSVADPLXNOJ-DLBZAZTESA-N 1 3 304.434 2.222 20 0 DEADHO COC(=O)CC[N@@H+]1CCCC[C@@H]1[C@H](CN)Cc1ccccc1 ZINC000420316537 405317157 /nfs/dbraw/zinc/31/71/57/405317157.db2.gz SXTGSVADPLXNOJ-DLBZAZTESA-N 1 3 304.434 2.222 20 0 DEADHO COC(=O)CC[N@H+]1CCCC[C@@H]1[C@H](CN)Cc1ccccc1 ZINC000420316537 405317159 /nfs/dbraw/zinc/31/71/59/405317159.db2.gz SXTGSVADPLXNOJ-DLBZAZTESA-N 1 3 304.434 2.222 20 0 DEADHO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329429 405321658 /nfs/dbraw/zinc/32/16/58/405321658.db2.gz GTIJFMXNVAWXBS-YLALRLGGSA-N 1 3 321.509 2.247 20 0 DEADHO CCc1cccc(OCCN2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420329854 405322134 /nfs/dbraw/zinc/32/21/34/405322134.db2.gz PEASIMPWBFREBI-QGZVFWFLSA-N 1 3 318.461 2.315 20 0 DEADHO C[C@H](NC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420330981 405322189 /nfs/dbraw/zinc/32/21/89/405322189.db2.gz BGFKSFAYXIGXNL-RYQLBKOJSA-N 1 3 315.461 2.185 20 0 DEADHO CC(C)CN(C(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)C(C)C ZINC000420333752 405323230 /nfs/dbraw/zinc/32/32/30/405323230.db2.gz SWMACRZEMKWPTC-IAGOWNOFSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@H]1CC[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)[C@H](CN)C1 ZINC000420333093 405323508 /nfs/dbraw/zinc/32/35/08/405323508.db2.gz JWTHLEQOBJXGKG-NHYWBVRUSA-N 1 3 311.376 2.353 20 0 DEADHO C[C@H]1CC[N@@H+](CCC(=O)Nc2cc(F)cc(F)c2)[C@H](CN)C1 ZINC000420333093 405323510 /nfs/dbraw/zinc/32/35/10/405323510.db2.gz JWTHLEQOBJXGKG-NHYWBVRUSA-N 1 3 311.376 2.353 20 0 DEADHO [NH3+]C[C@H]1CN(CCCOc2ccccc2)CC12CCOCC2 ZINC000420336749 405324636 /nfs/dbraw/zinc/32/46/36/405324636.db2.gz WFUKZKYSMBOIAL-INIZCTEOSA-N 1 3 304.434 2.143 20 0 DEADHO NC[C@H]1C[N@H+](CCCOc2ccccc2)CC12CCOCC2 ZINC000420336749 405324638 /nfs/dbraw/zinc/32/46/38/405324638.db2.gz WFUKZKYSMBOIAL-INIZCTEOSA-N 1 3 304.434 2.143 20 0 DEADHO NC[C@H]1C[N@@H+](CCCOc2ccccc2)CC12CCOCC2 ZINC000420336749 405324641 /nfs/dbraw/zinc/32/46/41/405324641.db2.gz WFUKZKYSMBOIAL-INIZCTEOSA-N 1 3 304.434 2.143 20 0 DEADHO Cc1ccc(F)cc1NC(=O)[C@@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420340495 405325559 /nfs/dbraw/zinc/32/55/59/405325559.db2.gz PNXPYXGWJSGREY-KFWWJZLASA-N 1 3 319.424 2.393 20 0 DEADHO Fc1ccc2c(c1)[C@@H](N1CC[C@H](N3CC[NH2+]CC3)C1)CCC2 ZINC000420351586 405329012 /nfs/dbraw/zinc/32/90/12/405329012.db2.gz XKLRTUYMHIGDBN-WMZOPIPTSA-N 1 3 303.425 2.183 20 0 DEADHO [NH3+]CCOCCN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000420360349 405331167 /nfs/dbraw/zinc/33/11/67/405331167.db2.gz LYINTHDGAJHBAG-JTQLQIEISA-N 1 3 323.384 2.317 20 0 DEADHO CCC1(CC)[C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C[C@@H]1OC ZINC000442878829 405337426 /nfs/dbraw/zinc/33/74/26/405337426.db2.gz VBLHHZKMSCWPHD-HOTGVXAUSA-N 1 3 311.514 2.196 20 0 DEADHO C[C@H](C(=O)N1CCCc2ccccc21)N1CCC[C@@H](CC[NH3+])C1 ZINC000443059375 405338120 /nfs/dbraw/zinc/33/81/20/405338120.db2.gz MORFOLLYFSVLEA-CVEARBPZSA-N 1 3 315.461 2.415 20 0 DEADHO C[C@H]1CCN(CCc2nc(-c3ccccc3)no2)C[C@H]1C[NH3+] ZINC000420390722 405341683 /nfs/dbraw/zinc/34/16/83/405341683.db2.gz AGGHTZLZFQYSRL-DZGCQCFKSA-N 1 3 300.406 2.196 20 0 DEADHO CCC[N@H+](CC)CCNC(=O)NCCN1CCCC(C)(C)C1 ZINC000445103419 405345854 /nfs/dbraw/zinc/34/58/54/405345854.db2.gz BJYJXMKSGLRGJC-UHFFFAOYSA-N 1 3 312.502 2.140 20 0 DEADHO CCC[N@@H+](CC)CCNC(=O)NCCN1CCCC(C)(C)C1 ZINC000445103419 405345856 /nfs/dbraw/zinc/34/58/56/405345856.db2.gz BJYJXMKSGLRGJC-UHFFFAOYSA-N 1 3 312.502 2.140 20 0 DEADHO Cc1c(F)cccc1NC(=O)CCN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420419878 405348030 /nfs/dbraw/zinc/34/80/30/405348030.db2.gz XZJHLUWCDCPNEU-GXTWGEPZSA-N 1 3 307.413 2.379 20 0 DEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C[C@H]1CCCN1C ZINC000420804640 405387960 /nfs/dbraw/zinc/38/79/60/405387960.db2.gz NRELNPSOBRFVGQ-VVLHAWIVSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C[C@H]1CCCN1C ZINC000420804640 405387962 /nfs/dbraw/zinc/38/79/62/405387962.db2.gz NRELNPSOBRFVGQ-VVLHAWIVSA-N 1 3 324.513 2.088 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420838731 405393673 /nfs/dbraw/zinc/39/36/73/405393673.db2.gz LWIHOIMGSCQRFZ-GPANFISMSA-N 1 3 324.513 2.279 20 0 DEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000455471574 405414421 /nfs/dbraw/zinc/41/44/21/405414421.db2.gz JAHLIIYWELHPSR-WTXIUTQJSA-N 1 3 322.497 2.031 20 0 DEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000455471574 405414424 /nfs/dbraw/zinc/41/44/24/405414424.db2.gz JAHLIIYWELHPSR-WTXIUTQJSA-N 1 3 322.497 2.031 20 0 DEADHO N[C@H]1CCCCC[C@@H]1[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000577720363 405497456 /nfs/dbraw/zinc/49/74/56/405497456.db2.gz UFAYTRJLCSIEDH-ROUUACIJSA-N 1 3 302.466 2.296 20 0 DEADHO [NH3+][C@H]1CCCCC[C@@H]1NC1CCN(Cc2ccncc2)CC1 ZINC000577720363 405497461 /nfs/dbraw/zinc/49/74/61/405497461.db2.gz UFAYTRJLCSIEDH-ROUUACIJSA-N 1 3 302.466 2.296 20 0 DEADHO CN(C)C(=O)CCN[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638452746 405478456 /nfs/dbraw/zinc/47/84/56/405478456.db2.gz CDTZWKXBLVSERJ-SJLPKXTDSA-N 1 3 315.461 2.422 20 0 DEADHO CN(C)C(=O)CCN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638452746 405478463 /nfs/dbraw/zinc/47/84/63/405478463.db2.gz CDTZWKXBLVSERJ-SJLPKXTDSA-N 1 3 315.461 2.422 20 0 DEADHO CO[C@H](C[NH2+]C1CCN(C2CCN(C)CC2)CC1)C1CCCC1 ZINC000638458431 405481218 /nfs/dbraw/zinc/48/12/18/405481218.db2.gz DEOGDUZSOWCEQY-LJQANCHMSA-N 1 3 323.525 2.340 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000458046199 405481873 /nfs/dbraw/zinc/48/18/73/405481873.db2.gz LFHIZLUKLKCWPK-SJORKVTESA-N 1 3 324.513 2.231 20 0 DEADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000458046199 405481880 /nfs/dbraw/zinc/48/18/80/405481880.db2.gz LFHIZLUKLKCWPK-SJORKVTESA-N 1 3 324.513 2.231 20 0 DEADHO CO[C@]1(C[NH2+]CC2CCN(Cc3cccs3)CC2)CCOC1 ZINC000638457867 405481821 /nfs/dbraw/zinc/48/18/21/405481821.db2.gz ZSBFXNDAPPLVBG-KRWDZBQOSA-N 1 3 324.490 2.355 20 0 DEADHO C[NH+](C)C1CCC(NC(=O)NC[C@H]2CCN2C2CCCC2)CC1 ZINC000528022180 405482450 /nfs/dbraw/zinc/48/24/50/405482450.db2.gz HDQQCXGOFMGDMQ-VMBOVVBDSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H](NC(=O)[C@H](C)N1CCC2(CC[NH2+]C2)CC1)c1ccccc1 ZINC000431013233 405559919 /nfs/dbraw/zinc/55/99/19/405559919.db2.gz ICZPTXDRNKIMHA-CVEARBPZSA-N 1 3 315.461 2.328 20 0 DEADHO CC(C)(O)C[NH+]1CCC(NCCc2ccc(F)cc2F)CC1 ZINC000638593808 405561553 /nfs/dbraw/zinc/56/15/53/405561553.db2.gz WKGNRACEVTVZEW-UHFFFAOYSA-N 1 3 312.404 2.332 20 0 DEADHO C[C@@H](CNC(=O)[C@@H](CN)c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000430749786 405502908 /nfs/dbraw/zinc/50/29/08/405502908.db2.gz XIWPMTSYRDBXOZ-VYDXJSESSA-N 1 3 303.450 2.108 20 0 DEADHO C[C@@H](CNC(=O)[C@@H](CN)c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000430749786 405502916 /nfs/dbraw/zinc/50/29/16/405502916.db2.gz XIWPMTSYRDBXOZ-VYDXJSESSA-N 1 3 303.450 2.108 20 0 DEADHO CC(C)(C(=O)N[C@H]1CC[NH2+]C12CCC2)[C@H](N)c1ccccc1 ZINC000638508801 405516657 /nfs/dbraw/zinc/51/66/57/405516657.db2.gz BCLMQWSORMTPGO-LSDHHAIUSA-N 1 3 301.434 2.113 20 0 DEADHO Cc1ccc(-c2noc(CCCN3CC[C@H](C[NH3+])C3)n2)cc1F ZINC000430940851 405539752 /nfs/dbraw/zinc/53/97/52/405539752.db2.gz RTNFBJVQPQGBGB-CYBMUJFWSA-N 1 3 318.396 2.397 20 0 DEADHO C[C@H]([NH3+])C1CCN([C@@H](C)C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000430968144 405550736 /nfs/dbraw/zinc/55/07/36/405550736.db2.gz XDHOYASYZDAQAE-STQMWFEESA-N 1 3 323.868 2.404 20 0 DEADHO CCN(CCC[NH+]1CCCC1)C(=O)[C@H]1CCN1C1CCCC1 ZINC000635851358 405555186 /nfs/dbraw/zinc/55/51/86/405555186.db2.gz CUOKFKOYHVIUNZ-QGZVFWFLSA-N 1 3 307.482 2.338 20 0 DEADHO C[C@H](C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)N1CCCCCC1 ZINC000638672833 405610412 /nfs/dbraw/zinc/61/04/12/405610412.db2.gz ZOPTUXLTJFOLAR-CQSZACIVSA-N 1 3 317.433 2.372 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C2([NH3+])CCCC2)C1 ZINC000431061840 405569905 /nfs/dbraw/zinc/56/99/05/405569905.db2.gz MKCDDBXCAWCVPF-GOEBONIOSA-N 1 3 301.434 2.210 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000458790597 405594277 /nfs/dbraw/zinc/59/42/77/405594277.db2.gz QEWJUAUZAQIXRA-AEFFLSMTSA-N 1 3 324.513 2.234 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000458790597 405594281 /nfs/dbraw/zinc/59/42/81/405594281.db2.gz QEWJUAUZAQIXRA-AEFFLSMTSA-N 1 3 324.513 2.234 20 0 DEADHO CC[NH+]1CCC(N[C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)CC1 ZINC000449654679 405663461 /nfs/dbraw/zinc/66/34/61/405663461.db2.gz FIERGTRFAXWELV-IKGGRYGDSA-N 1 3 320.481 2.454 20 0 DEADHO CC(C)CN1CCC[C@H](C[NH2+][C@H](C)C[C@@H]2CCCC(=O)N2)C1 ZINC000638788463 405670690 /nfs/dbraw/zinc/67/06/90/405670690.db2.gz KIQWLNKWCFBMJH-ZACQAIPSSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)CC[C@H](N)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638800964 405675707 /nfs/dbraw/zinc/67/57/07/405675707.db2.gz RGANSIQJEAWGGG-ROUUACIJSA-N 1 3 317.477 2.388 20 0 DEADHO CC(C)CC[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638800964 405675714 /nfs/dbraw/zinc/67/57/14/405675714.db2.gz RGANSIQJEAWGGG-ROUUACIJSA-N 1 3 317.477 2.388 20 0 DEADHO CC[C@H](C)[C@H](O)CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422712002 405675773 /nfs/dbraw/zinc/67/57/73/405675773.db2.gz NPGGTFMPZMLDLB-KMANFZQXSA-N 1 3 304.434 2.239 20 0 DEADHO CC(C)CC[C@H](N)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638800955 405675939 /nfs/dbraw/zinc/67/59/39/405675939.db2.gz RGANSIQJEAWGGG-MSOLQXFVSA-N 1 3 317.477 2.388 20 0 DEADHO CC(C)CC[C@H](N)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638800955 405675945 /nfs/dbraw/zinc/67/59/45/405675945.db2.gz RGANSIQJEAWGGG-MSOLQXFVSA-N 1 3 317.477 2.388 20 0 DEADHO CC(C)[C@@H](C[NH2+][C@@H](C1CC1)[C@H]1CNCCO1)N1CCC(C)CC1 ZINC000422842021 405686332 /nfs/dbraw/zinc/68/63/32/405686332.db2.gz DZHKMKCNTORLTJ-QRVBRYPASA-N 1 3 323.525 2.100 20 0 DEADHO CC(C)[C@@H](CN[C@@H](C1CC1)[C@H]1CNCCO1)[NH+]1CCC(C)CC1 ZINC000422842021 405686340 /nfs/dbraw/zinc/68/63/40/405686340.db2.gz DZHKMKCNTORLTJ-QRVBRYPASA-N 1 3 323.525 2.100 20 0 DEADHO Cc1ccc([C@H](CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])N2CCCC2)o1 ZINC000422885176 405689079 /nfs/dbraw/zinc/68/90/79/405689079.db2.gz YISIUYXSNJMTEX-HZMVEIRTSA-N 1 3 321.465 2.067 20 0 DEADHO C[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)[C@@H]1CCCCN1 ZINC000422902963 405690802 /nfs/dbraw/zinc/69/08/02/405690802.db2.gz VJLXFGZJRJWGJQ-YJBOKZPZSA-N 1 3 302.466 2.166 20 0 DEADHO C[C@H](NC1CCN(Cc2ccccn2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422902963 405690811 /nfs/dbraw/zinc/69/08/11/405690811.db2.gz VJLXFGZJRJWGJQ-YJBOKZPZSA-N 1 3 302.466 2.166 20 0 DEADHO Cc1ccnc(-c2nnc([C@H](C)[NH2+][C@H](C)CCCC[NH3+])[n-]2)c1 ZINC000423080079 405700348 /nfs/dbraw/zinc/70/03/48/405700348.db2.gz BIHNZZNQYHXEJH-OLZOCXBDSA-N 1 3 302.426 2.343 20 0 DEADHO O=C(C[C@H]1NCc2ccccc21)NCc1cccc2c1CC[NH2+]C2 ZINC000638846023 405709606 /nfs/dbraw/zinc/70/96/06/405709606.db2.gz MXIHNOMLOAZQLU-LJQANCHMSA-N 1 3 321.424 2.183 20 0 DEADHO CC1([NH+]2CCCC2)CCN(C(=O)[C@H](CN)c2ccccc2)CC1 ZINC000638859557 405721090 /nfs/dbraw/zinc/72/10/90/405721090.db2.gz OMUYPQDENITFKS-QGZVFWFLSA-N 1 3 315.461 2.206 20 0 DEADHO CCN1CCN(CCC[NH2+]Cc2cc3ccccc3n2C)CC1 ZINC000638853599 405717877 /nfs/dbraw/zinc/71/78/77/405717877.db2.gz ONFLNIIGNMXPSS-UHFFFAOYSA-N 1 3 314.477 2.296 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC(C)(N3CCOCC3)CC2)C1 ZINC000528727444 405726349 /nfs/dbraw/zinc/72/63/49/405726349.db2.gz FHRNZKDPHWFLAX-QZTJIDSGSA-N 1 3 323.525 2.151 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H](CO)Cc2c(F)cccc2Cl)C1 ZINC000583332290 405732730 /nfs/dbraw/zinc/73/27/30/405732730.db2.gz BOTBFTXWMAOZHV-JHJVBQTASA-N 1 3 314.832 2.490 20 0 DEADHO C[NH+](C)CC(C)(C)CNC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000423297224 405751197 /nfs/dbraw/zinc/75/11/97/405751197.db2.gz JFNHHVYBTGRIFW-OAHLLOKOSA-N 1 3 305.466 2.417 20 0 DEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2NCCCC2(C)C)C1 ZINC000423316429 405758434 /nfs/dbraw/zinc/75/84/34/405758434.db2.gz ATNTVIJECVUJOI-HOTGVXAUSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2NCCCC2(C)C)C1 ZINC000423316429 405758439 /nfs/dbraw/zinc/75/84/39/405758439.db2.gz ATNTVIJECVUJOI-HOTGVXAUSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@@H]1CCN[C@@H](C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000423313801 405759074 /nfs/dbraw/zinc/75/90/74/405759074.db2.gz UXXKJAWTPKSQKD-CRAIPNDOSA-N 1 3 315.461 2.287 20 0 DEADHO COc1cc([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)ccn1 ZINC000559920501 405760086 /nfs/dbraw/zinc/76/00/86/405760086.db2.gz AKOCHJJSHPCYMG-IAOVAPTHSA-N 1 3 319.449 2.119 20 0 DEADHO CC[C@](C)(C[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)OC ZINC000638977276 405793701 /nfs/dbraw/zinc/79/37/01/405793701.db2.gz QIMILUVEEYKHON-QZTJIDSGSA-N 1 3 306.450 2.158 20 0 DEADHO C[C@@H](C[NH2+]C[C@H](O)COc1ccccc1)CN1CCCCC1 ZINC000583989225 405800912 /nfs/dbraw/zinc/80/09/12/405800912.db2.gz LWXVYKIXDSGKHK-IRXDYDNUSA-N 1 3 306.450 2.138 20 0 DEADHO C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000423447952 405808317 /nfs/dbraw/zinc/80/83/17/405808317.db2.gz DLUZFEKPPXQSAA-NJAPINKUSA-N 1 3 319.424 2.123 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000639006770 405818768 /nfs/dbraw/zinc/81/87/68/405818768.db2.gz ZBSTVERDBVEICX-WMZOPIPTSA-N 1 3 315.461 2.075 20 0 DEADHO c1ccc([C@H](C[C@H]2CCOC2)[NH2+]C[C@H]2CNCCCO2)cc1 ZINC000423485769 405823536 /nfs/dbraw/zinc/82/35/36/405823536.db2.gz BFQGYBFUMGXBOS-NXHRZFHOSA-N 1 3 304.434 2.122 20 0 DEADHO CCN(CC)[C@H](CNC(=O)CC1(C[NH3+])CC1)c1ccsc1 ZINC000423342619 405769471 /nfs/dbraw/zinc/76/94/71/405769471.db2.gz ZBXPQMSJDMIOGS-CQSZACIVSA-N 1 3 309.479 2.376 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CCN(C2CC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000423352873 405773482 /nfs/dbraw/zinc/77/34/82/405773482.db2.gz ANQCEQBUKVSSOU-ZBFHGGJFSA-N 1 3 301.434 2.066 20 0 DEADHO CN(C)CCN1CCC([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000459364296 405874566 /nfs/dbraw/zinc/87/45/66/405874566.db2.gz KBBHZPALYVMCBG-UHFFFAOYSA-N 1 3 309.885 2.498 20 0 DEADHO CCc1cc(N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc[nH+]1 ZINC000450406978 405882413 /nfs/dbraw/zinc/88/24/13/405882413.db2.gz HGWXUAKQMLDTLE-MAUKXSAKSA-N 1 3 302.466 2.106 20 0 DEADHO O=C(NCCNC1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000459387264 405882906 /nfs/dbraw/zinc/88/29/06/405882906.db2.gz MUCJLMJHUFJVQZ-UHFFFAOYSA-N 1 3 321.852 2.286 20 0 DEADHO CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)CN2CCCC2)[C@]12CCCO2 ZINC000639101780 405883070 /nfs/dbraw/zinc/88/30/70/405883070.db2.gz DWFDFDZZFHOUJR-LZLYRXPVSA-N 1 3 310.482 2.425 20 0 DEADHO Cc1cccc(CN2CC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC000636328102 405896117 /nfs/dbraw/zinc/89/61/17/405896117.db2.gz SABYSYPWHFGRRP-ROUUACIJSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1cccc(CN2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000636328102 405896125 /nfs/dbraw/zinc/89/61/25/405896125.db2.gz SABYSYPWHFGRRP-ROUUACIJSA-N 1 3 315.461 2.027 20 0 DEADHO CC(C)CC(C)(C)CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000530757340 405855472 /nfs/dbraw/zinc/85/54/72/405855472.db2.gz FWOZAMDWAISVPU-UHFFFAOYSA-N 1 3 314.518 2.194 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H]2CSCCN2Cc2ccccc2)C1 ZINC000568781925 292367536 /nfs/dbraw/zinc/36/75/36/292367536.db2.gz AOWIIVWAZPTXRI-KZNAEPCWSA-N 1 3 319.518 2.464 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423724976 405929206 /nfs/dbraw/zinc/92/92/06/405929206.db2.gz SBXPXQXLWHIEHB-IXDOHACOSA-N 1 3 307.482 2.132 20 0 DEADHO CO[C@H](C[N@@H+]1CC[C@H](C2CCN(C)CC2)C1)C1CCOCC1 ZINC000639176602 405947487 /nfs/dbraw/zinc/94/74/87/405947487.db2.gz HZNSLBVFNUATPH-ZWKOTPCHSA-N 1 3 310.482 2.092 20 0 DEADHO CO[C@H](C[N@H+]1CC[C@H](C2CCN(C)CC2)C1)C1CCOCC1 ZINC000639176602 405947492 /nfs/dbraw/zinc/94/74/92/405947492.db2.gz HZNSLBVFNUATPH-ZWKOTPCHSA-N 1 3 310.482 2.092 20 0 DEADHO Cc1cccc2c1OC[C@H](NC1CC[NH+](CC(C)(C)O)CC1)C2 ZINC000639194338 405962679 /nfs/dbraw/zinc/96/26/79/405962679.db2.gz AMCKOXIRTCCDJR-QGZVFWFLSA-N 1 3 318.461 2.123 20 0 DEADHO C[N@H+](CCNC(=O)NC[C@@H]1CCCCN1C1CC1)C1CCCC1 ZINC000433604093 405963078 /nfs/dbraw/zinc/96/30/78/405963078.db2.gz PMUFEQZSWOYMJY-KRWDZBQOSA-N 1 3 322.497 2.177 20 0 DEADHO C[N@@H+](CCNC(=O)NC[C@@H]1CCCCN1C1CC1)C1CCCC1 ZINC000433604093 405963082 /nfs/dbraw/zinc/96/30/82/405963082.db2.gz PMUFEQZSWOYMJY-KRWDZBQOSA-N 1 3 322.497 2.177 20 0 DEADHO C[N@H+](CCNC(=O)NC[C@H]1CCCCN1C1CC1)C1CCCC1 ZINC000433604094 405963326 /nfs/dbraw/zinc/96/33/26/405963326.db2.gz PMUFEQZSWOYMJY-QGZVFWFLSA-N 1 3 322.497 2.177 20 0 DEADHO C[N@@H+](CCNC(=O)NC[C@H]1CCCCN1C1CC1)C1CCCC1 ZINC000433604094 405963330 /nfs/dbraw/zinc/96/33/30/405963330.db2.gz PMUFEQZSWOYMJY-QGZVFWFLSA-N 1 3 322.497 2.177 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)NC(C)(C)CN(C)C)CC1 ZINC000457711590 405965325 /nfs/dbraw/zinc/96/53/25/405965325.db2.gz BNHQCABAZFNLNN-UHFFFAOYSA-N 1 3 312.502 2.138 20 0 DEADHO CN1CCN(CC[NH2+]CC2Cc3ccccc3C2)CC1(C)C ZINC000562205572 405965388 /nfs/dbraw/zinc/96/53/88/405965388.db2.gz IEWABTYXDLRISR-UHFFFAOYSA-N 1 3 301.478 2.017 20 0 DEADHO C[NH+](C)[C@@H](CC(=O)N[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000433298747 405914570 /nfs/dbraw/zinc/91/45/70/405914570.db2.gz ADLUJAGQAUWOLT-RDJZCZTQSA-N 1 3 301.434 2.032 20 0 DEADHO [NH3+][C@@H]1CCC[C@H]1Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000568856510 292372280 /nfs/dbraw/zinc/37/22/80/292372280.db2.gz OAMAYTDZYYAPGM-QZTJIDSGSA-N 1 3 303.450 2.183 20 0 DEADHO CN1[C@@H]2CC[C@H]1CN(C(=O)CC[N@H+](C)C1CCCCC1)CC2 ZINC000562303099 405979586 /nfs/dbraw/zinc/97/95/86/405979586.db2.gz JGYPTRKYLBXWSV-SJORKVTESA-N 1 3 307.482 2.336 20 0 DEADHO CN1[C@@H]2CC[C@H]1CN(C(=O)CC[N@@H+](C)C1CCCCC1)CC2 ZINC000562303099 405979592 /nfs/dbraw/zinc/97/95/92/405979592.db2.gz JGYPTRKYLBXWSV-SJORKVTESA-N 1 3 307.482 2.336 20 0 DEADHO C[C@@H](CC(=O)Nc1cccc(F)c1)NCC[N@@H+]1CC[C@H](C)C1 ZINC000531729002 405999681 /nfs/dbraw/zinc/99/96/81/405999681.db2.gz ZSTZDUQGWQPYMY-KBPBESRZSA-N 1 3 307.413 2.474 20 0 DEADHO C[C@@H](CC(=O)Nc1cccc(F)c1)NCC[N@H+]1CC[C@H](C)C1 ZINC000531729002 405999687 /nfs/dbraw/zinc/99/96/87/405999687.db2.gz ZSTZDUQGWQPYMY-KBPBESRZSA-N 1 3 307.413 2.474 20 0 DEADHO C[C@@H](CNC(=O)NC[C@H]1CCCCN1C1CC1)C[NH+]1CCCC1 ZINC000433928172 406000614 /nfs/dbraw/zinc/00/06/14/406000614.db2.gz XLXCRGYVEPAZAG-DOTOQJQBSA-N 1 3 322.497 2.034 20 0 DEADHO C[NH+]1CCC(CCNC(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000433923206 406000743 /nfs/dbraw/zinc/00/07/43/406000743.db2.gz YAMFJWCLIZFKLO-KRWDZBQOSA-N 1 3 322.497 2.034 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000433947350 406001685 /nfs/dbraw/zinc/00/16/85/406001685.db2.gz CRQATWXYOAAXLW-IAGOWNOFSA-N 1 3 322.497 2.129 20 0 DEADHO O[C@@H]1CCC[C@@H]1[NH+]1CCC(NCc2ccc3[nH]cnc3c2)CC1 ZINC000531759837 406002037 /nfs/dbraw/zinc/00/20/37/406002037.db2.gz STWVBRHIYBUTSI-ZWKOTPCHSA-N 1 3 314.433 2.030 20 0 DEADHO O[C@@H]1CCC[C@@H]1[NH+]1CCC(NCc2ccc3nc[nH]c3c2)CC1 ZINC000531759837 406002045 /nfs/dbraw/zinc/00/20/45/406002045.db2.gz STWVBRHIYBUTSI-ZWKOTPCHSA-N 1 3 314.433 2.030 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000462002253 406082984 /nfs/dbraw/zinc/08/29/84/406082984.db2.gz LDSWWWZJIJKEHL-BZUAXINKSA-N 1 3 312.502 2.088 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000462002253 406082986 /nfs/dbraw/zinc/08/29/86/406082986.db2.gz LDSWWWZJIJKEHL-BZUAXINKSA-N 1 3 312.502 2.088 20 0 DEADHO CN(C)Cc1ccc(-c2noc(C[C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000516487898 406092622 /nfs/dbraw/zinc/09/26/22/406092622.db2.gz CJYMLKJVNQCRMB-AWEZNQCLSA-N 1 3 300.406 2.340 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000516554974 406098223 /nfs/dbraw/zinc/09/82/23/406098223.db2.gz GYUMDMSYLTTXNE-LSDHHAIUSA-N 1 3 310.486 2.020 20 0 DEADHO C[NH+]1CCC(CNC(=O)NC[C@H]2CCN2C2CCCCC2)CC1 ZINC000636734300 406067366 /nfs/dbraw/zinc/06/73/66/406067366.db2.gz VLNCCHPAXJCKKV-QGZVFWFLSA-N 1 3 322.497 2.034 20 0 DEADHO CC(C)COC[C@@H](O)CNCc1cccc(C[NH+]2CCCC2)c1 ZINC000567677788 406117988 /nfs/dbraw/zinc/11/79/88/406117988.db2.gz AALHWMCJUIRLRX-IBGZPJMESA-N 1 3 320.477 2.406 20 0 DEADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCOCCN(C)C)c(C)c1 ZINC000472616598 406140954 /nfs/dbraw/zinc/14/09/54/406140954.db2.gz MNHQRIJJXGYQPS-INIZCTEOSA-N 1 3 321.465 2.188 20 0 DEADHO O[C@@]1(CNCCc2ccoc2)CC[N@H+](Cc2ccccc2)C1 ZINC000634649144 406206182 /nfs/dbraw/zinc/20/61/82/406206182.db2.gz HSHWSCLDVNZBHR-GOSISDBHSA-N 1 3 300.402 2.049 20 0 DEADHO O[C@@]1(CNCCc2ccoc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634649144 406206186 /nfs/dbraw/zinc/20/61/86/406206186.db2.gz HSHWSCLDVNZBHR-GOSISDBHSA-N 1 3 300.402 2.049 20 0 DEADHO NC[C@@H]1C[N@H+](Cc2cccc3ncccc23)CC12CCOCC2 ZINC000634688114 406225438 /nfs/dbraw/zinc/22/54/38/406225438.db2.gz IMUSJXLYXZTIOK-MRXNPFEDSA-N 1 3 311.429 2.422 20 0 DEADHO NC[C@@H]1C[N@@H+](Cc2cccc3ncccc23)CC12CCOCC2 ZINC000634688114 406225442 /nfs/dbraw/zinc/22/54/42/406225442.db2.gz IMUSJXLYXZTIOK-MRXNPFEDSA-N 1 3 311.429 2.422 20 0 DEADHO [NH3+]C[C@@H]1CN(Cc2cccc3ncccc23)CC12CCOCC2 ZINC000634688114 406225446 /nfs/dbraw/zinc/22/54/46/406225446.db2.gz IMUSJXLYXZTIOK-MRXNPFEDSA-N 1 3 311.429 2.422 20 0 DEADHO C[N@H+](C[C@H](O)CNCC1(c2ccc(Cl)cc2)CC1)C1CC1 ZINC000519696733 406236565 /nfs/dbraw/zinc/23/65/65/406236565.db2.gz COTCVTCWLRTHOG-MRXNPFEDSA-N 1 3 308.853 2.416 20 0 DEADHO C[N@@H+](C[C@H](O)CNCC1(c2ccc(Cl)cc2)CC1)C1CC1 ZINC000519696733 406236569 /nfs/dbraw/zinc/23/65/69/406236569.db2.gz COTCVTCWLRTHOG-MRXNPFEDSA-N 1 3 308.853 2.416 20 0 DEADHO CCOCC[C@H](O)C[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000634724854 406249155 /nfs/dbraw/zinc/24/91/55/406249155.db2.gz YVOALJIMTZYDNT-QRQLOZEOSA-N 1 3 320.477 2.132 20 0 DEADHO CCOCC[C@H](O)CNC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000634724854 406249160 /nfs/dbraw/zinc/24/91/60/406249160.db2.gz YVOALJIMTZYDNT-QRQLOZEOSA-N 1 3 320.477 2.132 20 0 DEADHO CCOCC[C@H](O)CNC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000634724854 406249165 /nfs/dbraw/zinc/24/91/65/406249165.db2.gz YVOALJIMTZYDNT-QRQLOZEOSA-N 1 3 320.477 2.132 20 0 DEADHO [NH3+]C[C@H]1CCC[C@H]1NCCc1nc(-c2ccncc2)cs1 ZINC000519767386 406250647 /nfs/dbraw/zinc/25/06/47/406250647.db2.gz VVNUGUOXJGJSNR-ZIAGYGMSSA-N 1 3 302.447 2.465 20 0 DEADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000519767386 406250653 /nfs/dbraw/zinc/25/06/53/406250653.db2.gz VVNUGUOXJGJSNR-ZIAGYGMSSA-N 1 3 302.447 2.465 20 0 DEADHO CN(C)C[C@@H]1COC2(CCCC2)CN1CCC[NH+]1CCCCC1 ZINC000639877102 406295240 /nfs/dbraw/zinc/29/52/40/406295240.db2.gz HRYNSOUUSNWVTO-GOSISDBHSA-N 1 3 323.525 2.438 20 0 DEADHO Cc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)c(N2CCOCC2)c1 ZINC000520252734 406279782 /nfs/dbraw/zinc/27/97/82/406279782.db2.gz FCHCMACDMBYDIU-DLBZAZTESA-N 1 3 303.450 2.191 20 0 DEADHO CC[NH+](CC)C[C@H](C)NC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000488562839 406330718 /nfs/dbraw/zinc/33/07/18/406330718.db2.gz SOXJFZHXPPVWPX-WCXIOVBPSA-N 1 3 324.513 2.088 20 0 DEADHO CC[NH+](CC)C[C@H](C)NC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000488562693 406330880 /nfs/dbraw/zinc/33/08/80/406330880.db2.gz SGGFWSMTVGULQC-HOTGVXAUSA-N 1 3 324.513 2.233 20 0 DEADHO CC1(F)CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000640072899 406384309 /nfs/dbraw/zinc/38/43/09/406384309.db2.gz JQQSZFQIXOWLFZ-GOSISDBHSA-N 1 3 306.425 2.447 20 0 DEADHO CC1(F)CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000640072899 406384314 /nfs/dbraw/zinc/38/43/14/406384314.db2.gz JQQSZFQIXOWLFZ-GOSISDBHSA-N 1 3 306.425 2.447 20 0 DEADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N[C@@H]1CCC[NH2+]C1)N(C)C ZINC000570427911 406393501 /nfs/dbraw/zinc/39/35/01/406393501.db2.gz CWNGARLUOVXXOG-BFYDXBDKSA-N 1 3 318.465 2.037 20 0 DEADHO Cc1oc2ccccc2c1C[N@@H+]1CC[C@@H](n2cc(CN)nn2)C1 ZINC000635000660 406394236 /nfs/dbraw/zinc/39/42/36/406394236.db2.gz SNEIYTVVGHMEFT-CQSZACIVSA-N 1 3 311.389 2.238 20 0 DEADHO Cc1oc2ccccc2c1C[N@H+]1CC[C@@H](n2cc(CN)nn2)C1 ZINC000635000660 406394240 /nfs/dbraw/zinc/39/42/40/406394240.db2.gz SNEIYTVVGHMEFT-CQSZACIVSA-N 1 3 311.389 2.238 20 0 DEADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000522145778 406394568 /nfs/dbraw/zinc/39/45/68/406394568.db2.gz WRHIQCQHNSVTBV-HNNXBMFYSA-N 1 3 323.868 2.182 20 0 DEADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000522145778 406394573 /nfs/dbraw/zinc/39/45/73/406394573.db2.gz WRHIQCQHNSVTBV-HNNXBMFYSA-N 1 3 323.868 2.182 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccnc(N2CCSCC2)c1 ZINC000635007107 406396758 /nfs/dbraw/zinc/39/67/58/406396758.db2.gz FARUZFFCIWXHMG-CVEARBPZSA-N 1 3 320.506 2.242 20 0 DEADHO CC1(C)CNCC[C@@H]([NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000635010558 406398720 /nfs/dbraw/zinc/39/87/20/406398720.db2.gz KEZOOYCRRNUKSC-QGZVFWFLSA-N 1 3 316.493 2.414 20 0 DEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000570562360 406409197 /nfs/dbraw/zinc/40/91/97/406409197.db2.gz BHWNMUNVDWLOPS-QEJZJMRPSA-N 1 3 315.383 2.171 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000571550578 406534469 /nfs/dbraw/zinc/53/44/69/406534469.db2.gz FVSSVKDQTYHAAQ-ZOCIIQOWSA-N 1 3 310.445 2.255 20 0 DEADHO CC[NH2+][C@@H](C)C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000638063378 406552045 /nfs/dbraw/zinc/55/20/45/406552045.db2.gz MFZOONWHDARSOC-HNNXBMFYSA-N 1 3 303.450 2.074 20 0 DEADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCCN(c2ccncc2)CC1 ZINC000640445279 406505570 /nfs/dbraw/zinc/50/55/70/406505570.db2.gz IKMHIXIRVOSUTH-OAHLLOKOSA-N 1 3 318.465 2.287 20 0 DEADHO CO[C@](C)(CN1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)C1CC1 ZINC000637984674 406508829 /nfs/dbraw/zinc/50/88/29/406508829.db2.gz JWIZVMALRSWUQM-JENIJYKNSA-N 1 3 323.525 2.292 20 0 DEADHO c1cc(N2CCN(CCC[NH2+][C@@H]3CCC[C@H]4C[C@H]43)CC2)ccn1 ZINC000549034791 406572064 /nfs/dbraw/zinc/57/20/64/406572064.db2.gz ACHDKHDFRMHQSE-QXAKKESOSA-N 1 3 314.477 2.372 20 0 DEADHO CC[NH2+][C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000638119401 406579603 /nfs/dbraw/zinc/57/96/03/406579603.db2.gz QLLNZQNTVFCXMR-ZMSDIMECSA-N 1 3 303.450 2.011 20 0 DEADHO Cc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cs1 ZINC000640637565 406592359 /nfs/dbraw/zinc/59/23/59/406592359.db2.gz OSZBLFQJZVIULT-LBPRGKRZSA-N 1 3 312.483 2.450 20 0 DEADHO Cc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cs1 ZINC000640637565 406592360 /nfs/dbraw/zinc/59/23/60/406592360.db2.gz OSZBLFQJZVIULT-LBPRGKRZSA-N 1 3 312.483 2.450 20 0 DEADHO CC[NH2+][C@H](C)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000638302179 406684867 /nfs/dbraw/zinc/68/48/67/406684867.db2.gz GNZFDAMAWMUPPK-OAHLLOKOSA-N 1 3 318.465 2.154 20 0 DEADHO CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000646011998 406742113 /nfs/dbraw/zinc/74/21/13/406742113.db2.gz DOJDTEMHRHMRRU-DJIMGWMZSA-N 1 3 303.450 2.313 20 0 DEADHO CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000646012001 406742151 /nfs/dbraw/zinc/74/21/51/406742151.db2.gz DOJDTEMHRHMRRU-USXIJHARSA-N 1 3 303.450 2.313 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](NC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)C1 ZINC000569258898 292401474 /nfs/dbraw/zinc/40/14/74/292401474.db2.gz MTZABORGQNYYJQ-RQJABVFESA-N 1 3 306.410 2.027 20 0 DEADHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000527815420 406761162 /nfs/dbraw/zinc/76/11/62/406761162.db2.gz LPKMCVWNZWOYJB-OIISXLGYSA-N 1 3 322.497 2.031 20 0 DEADHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000527815420 406761166 /nfs/dbraw/zinc/76/11/66/406761166.db2.gz LPKMCVWNZWOYJB-OIISXLGYSA-N 1 3 322.497 2.031 20 0 DEADHO CO[C@]1(CNCc2cccc(C[N@H+](C)C(C)C)c2)CCOC1 ZINC000638433912 406769987 /nfs/dbraw/zinc/76/99/87/406769987.db2.gz DZWNOIMICXKLGP-SFHVURJKSA-N 1 3 306.450 2.422 20 0 DEADHO CO[C@]1(CNCc2cccc(C[N@@H+](C)C(C)C)c2)CCOC1 ZINC000638433912 406769994 /nfs/dbraw/zinc/76/99/94/406769994.db2.gz DZWNOIMICXKLGP-SFHVURJKSA-N 1 3 306.450 2.422 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NC3CCCC3)CC2)CC1 ZINC000552857358 406726928 /nfs/dbraw/zinc/72/69/28/406726928.db2.gz NCWTZOGNBGHDMB-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1cnn(CCCCCN2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000646104772 406781923 /nfs/dbraw/zinc/78/19/23/406781923.db2.gz XSQPBSDCJIMKPC-UHFFFAOYSA-N 1 3 320.481 2.158 20 0 DEADHO C[NH2+]CCCC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000646409881 406860231 /nfs/dbraw/zinc/86/02/31/406860231.db2.gz CCWLKFZRUKYGPW-KRWDZBQOSA-N 1 3 303.450 2.329 20 0 DEADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc2c(c1)CNC2 ZINC000646427717 406863154 /nfs/dbraw/zinc/86/31/54/406863154.db2.gz LKDVUAAROLBINP-ZDUSSCGKSA-N 1 3 301.434 2.092 20 0 DEADHO CCc1nc(C)c(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)o1 ZINC000641799681 406894657 /nfs/dbraw/zinc/89/46/57/406894657.db2.gz PAFVUUZGCUAPBT-CABCVRRESA-N 1 3 307.438 2.264 20 0 DEADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCCCc1nc(-c2ccccc2)no1 ZINC000641804936 406896897 /nfs/dbraw/zinc/89/68/97/406896897.db2.gz MHDATSBQHAHMOY-KGLIPLIRSA-N 1 3 300.406 2.385 20 0 DEADHO CCN1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C)o2)C1 ZINC000647171933 406964306 /nfs/dbraw/zinc/96/43/06/406964306.db2.gz AZSZSOLQHWWKEL-CQSZACIVSA-N 1 3 302.422 2.420 20 0 DEADHO COc1cccc(-c2n[nH]cc2CN2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000647509010 407009636 /nfs/dbraw/zinc/00/96/36/407009636.db2.gz FNONOBHFCMBFJM-QWHCGFSZSA-N 1 3 300.406 2.254 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647974994 407091653 /nfs/dbraw/zinc/09/16/53/407091653.db2.gz FJZJYWOTMAAGKB-XDNAFOTISA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](C(=O)N1CCCCC1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978469 407092466 /nfs/dbraw/zinc/09/24/66/407092466.db2.gz SOFUKQYUKCXZOV-IKGGRYGDSA-N 1 3 307.482 2.099 20 0 DEADHO CC[C@@H]1CN(CCCOc2ccc3c(c2)OCO3)CC[C@@H]1[NH3+] ZINC000647936773 407079467 /nfs/dbraw/zinc/07/94/67/407079467.db2.gz KXKTYBNKQKIKPC-HIFRSBDPSA-N 1 3 306.406 2.243 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CC[NH2+]C12CCCC2)[C@H](N)c1ccccc1 ZINC000648205700 407138226 /nfs/dbraw/zinc/13/82/26/407138226.db2.gz LLIOKVCTKWMBIS-IMJJTQAJSA-N 1 3 301.434 2.113 20 0 DEADHO CC(C)[NH+](CCCNC(=O)[C@@H](N)Cc1ccccc1)C(C)C ZINC000569689448 292435024 /nfs/dbraw/zinc/43/50/24/292435024.db2.gz JZINPVLXZBZTNE-KRWDZBQOSA-N 1 3 305.466 2.182 20 0 DEADHO C[C@H](Cn1cccn1)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000569684256 292434197 /nfs/dbraw/zinc/43/41/97/292434197.db2.gz MDVKNZYDICZCRH-UWWQBHOKSA-N 1 3 312.417 2.117 20 0 DEADHO CN(C)C[C@](C)(O)C[NH2+]CC(C)(C)CN(C)Cc1ccccc1 ZINC000131370393 196162514 /nfs/dbraw/zinc/16/25/14/196162514.db2.gz RCLZOXZDEBOQLK-LJQANCHMSA-N 1 3 321.509 2.047 20 0 DEADHO CC[C@]1(C)C[C@@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000134071851 196359308 /nfs/dbraw/zinc/35/93/08/196359308.db2.gz BYARMCXYMYLFFX-SJLPKXTDSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](CC[NH+](C)C)NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000299367180 229078355 /nfs/dbraw/zinc/07/83/55/229078355.db2.gz LIEHKAHFPXECRD-MRXNPFEDSA-N 1 3 320.481 2.100 20 0 DEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)NC[C@@H](N)c1ccccc1 ZINC000418037278 229196726 /nfs/dbraw/zinc/19/67/26/229196726.db2.gz GIQUXXQWIDAYFP-NVXWUHKLSA-N 1 3 318.465 2.250 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000418191049 229261137 /nfs/dbraw/zinc/26/11/37/229261137.db2.gz XCIGTUZCPVQLEL-IJEWVQPXSA-N 1 3 306.454 2.104 20 0 DEADHO C[C@H](C[NH3+])N(C)C(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000418251947 229286085 /nfs/dbraw/zinc/28/60/85/229286085.db2.gz XJRXPFJVFVOBMN-OAHLLOKOSA-N 1 3 318.465 2.030 20 0 DEADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418587870 229396610 /nfs/dbraw/zinc/39/66/10/229396610.db2.gz RJROYBSGENZHOI-CABCVRRESA-N 1 3 324.494 2.091 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccccc1N1CCOCC1 ZINC000422696142 230167313 /nfs/dbraw/zinc/16/73/13/230167313.db2.gz QVENNSDEJJOTNH-RDJZCZTQSA-N 1 3 303.450 2.130 20 0 DEADHO Cc1ccc(N2CCC(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)nc1 ZINC000422779821 230204548 /nfs/dbraw/zinc/20/45/48/230204548.db2.gz IXYDGIJNDMROEB-SJPCQFCGSA-N 1 3 300.450 2.231 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1cn2ccccc2n1 ZINC000422821545 230226929 /nfs/dbraw/zinc/22/69/29/230226929.db2.gz WXMSSYAYUCQUAY-ZDUSSCGKSA-N 1 3 309.417 2.390 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCCOc1ccc(F)cc1 ZINC000422834336 230233563 /nfs/dbraw/zinc/23/35/63/230233563.db2.gz NSPTZCYKRNUHLJ-RRQGHBQHSA-N 1 3 310.413 2.327 20 0 DEADHO Fc1cc(F)cc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422849125 230242928 /nfs/dbraw/zinc/24/29/28/230242928.db2.gz UPPBNUMBIDIGBQ-GVDBMIGSSA-N 1 3 310.388 2.254 20 0 DEADHO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCCCC[C@@H]3N)cn2)CCO1 ZINC000422881467 230257015 /nfs/dbraw/zinc/25/70/15/230257015.db2.gz NTDMOBIDJULEFV-HYVNUMGLSA-N 1 3 318.465 2.056 20 0 DEADHO C[C@@H]1CN(c2ccc(C[NH2+][C@H]3CCCCC[C@@H]3N)cn2)CCO1 ZINC000422881469 230257382 /nfs/dbraw/zinc/25/73/82/230257382.db2.gz NTDMOBIDJULEFV-PVAVHDDUSA-N 1 3 318.465 2.056 20 0 DEADHO C[C@@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H](C)Oc1cccc(Cl)c1 ZINC000422920488 230278493 /nfs/dbraw/zinc/27/84/93/230278493.db2.gz MFQGTTUBDZEUAN-AVRGHOLYSA-N 1 3 312.841 2.449 20 0 DEADHO Fc1cccc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1F ZINC000422957635 230292936 /nfs/dbraw/zinc/29/29/36/230292936.db2.gz NUELONXRZGIDKE-FVQBIDKESA-N 1 3 310.388 2.254 20 0 DEADHO Cc1nccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422953981 230293354 /nfs/dbraw/zinc/29/33/54/230293354.db2.gz GTWGOEMXSGOCBC-CHWSQXEVSA-N 1 3 301.438 2.341 20 0 DEADHO CCc1noc(-c2ccc(CCN[C@H](C)C3C[NH2+]C3)cc2)n1 ZINC000422960136 230296413 /nfs/dbraw/zinc/29/64/13/230296413.db2.gz VHOAEQCJZGMOPQ-GFCCVEGCSA-N 1 3 300.406 2.039 20 0 DEADHO CCc1noc(-c2ccc(CC[NH2+][C@H](C)C3CNC3)cc2)n1 ZINC000422960136 230296416 /nfs/dbraw/zinc/29/64/16/230296416.db2.gz VHOAEQCJZGMOPQ-GFCCVEGCSA-N 1 3 300.406 2.039 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC1(c2ccc(F)cc2F)CC1 ZINC000423010522 230315108 /nfs/dbraw/zinc/31/51/08/230315108.db2.gz GTAKNAZAEWNOOA-DETPVDSQSA-N 1 3 310.388 2.338 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1(c2ccc(F)cc2F)CC1 ZINC000423010522 230315113 /nfs/dbraw/zinc/31/51/13/230315113.db2.gz GTAKNAZAEWNOOA-DETPVDSQSA-N 1 3 310.388 2.338 20 0 DEADHO Cc1cccc(C[C@H](CO)N[C@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000423062292 230334624 /nfs/dbraw/zinc/33/46/24/230334624.db2.gz SUZFCZCKSAGMGN-PWIZWCRZSA-N 1 3 312.457 2.447 20 0 DEADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCc1cn2c(n1)SCC2 ZINC000423068537 230338067 /nfs/dbraw/zinc/33/80/67/230338067.db2.gz KGUZTVXVTJOSHP-ZIAGYGMSSA-N 1 3 308.495 2.432 20 0 DEADHO Cc1c2ccccc2n(C)c1CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000423083324 230344931 /nfs/dbraw/zinc/34/49/31/230344931.db2.gz FUYMCDCKNAAINW-NUEKZKHPSA-N 1 3 301.434 2.329 20 0 DEADHO O=C1C[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)[C@@H]2CCCCN12 ZINC000423115545 230357390 /nfs/dbraw/zinc/35/73/90/230357390.db2.gz NMDZBIOKGUROHM-ALYAQQCSSA-N 1 3 305.466 2.040 20 0 DEADHO CC[N@@H+]1CC[C@H](NCCNc2ccc3ccccc3n2)[C@H](C)C1 ZINC000358391741 424823203 /nfs/dbraw/zinc/82/32/03/424823203.db2.gz FMLPALBXLWUDAK-WBVHZDCISA-N 1 3 312.461 2.967 20 0 DEADHO CC[N@H+]1CC[C@H](NCCNc2ccc3ccccc3n2)[C@H](C)C1 ZINC000358391741 424823206 /nfs/dbraw/zinc/82/32/06/424823206.db2.gz FMLPALBXLWUDAK-WBVHZDCISA-N 1 3 312.461 2.967 20 0 DEADHO CN(CCNC(=O)[C@H]1C[NH2+]Cc2ccccc21)Cc1ccccc1 ZINC000386765907 424912557 /nfs/dbraw/zinc/91/25/57/424912557.db2.gz JKDKXPJACPQHCM-IBGZPJMESA-N 1 3 323.440 2.122 20 0 DEADHO O=C(C[C@@H]1CC[NH2+]C1)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000309924350 424894207 /nfs/dbraw/zinc/89/42/07/424894207.db2.gz WYHUKGWNEWIAQF-ZWKOTPCHSA-N 1 3 315.461 2.014 20 0 DEADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000649371036 425003291 /nfs/dbraw/zinc/00/32/91/425003291.db2.gz GDUZDFCWVYPFKA-VXGBXAGGSA-N 1 3 303.406 2.350 20 0 DEADHO c1ccc(N2CC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)nc1 ZINC000415088177 424950019 /nfs/dbraw/zinc/95/00/19/424950019.db2.gz UWVZEMDIXYUSOS-YLFCFFPRSA-N 1 3 300.450 2.171 20 0 DEADHO C[C@H](N)C[C@H](C)[NH2+]CCCNc1ccc(C(F)(F)F)cn1 ZINC000422832267 424987534 /nfs/dbraw/zinc/98/75/34/424987534.db2.gz LAGMHZWMRCPQPP-QWRGUYRKSA-N 1 3 304.360 2.618 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000422832267 424987536 /nfs/dbraw/zinc/98/75/36/424987536.db2.gz LAGMHZWMRCPQPP-QWRGUYRKSA-N 1 3 304.360 2.618 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H]2CCCCCN2)C1 ZINC000649307201 424989207 /nfs/dbraw/zinc/98/92/07/424989207.db2.gz ADSFEXKRWXAJKO-OAGGEKHMSA-N 1 3 309.498 2.391 20 0 DEADHO CCN(C(=O)[C@H]1CCC[NH2+]1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000649305993 424990298 /nfs/dbraw/zinc/99/02/98/424990298.db2.gz SMUXJMUGAWUNQW-CGTJXYLNSA-N 1 3 315.461 2.422 20 0 DEADHO CN(C(=O)[C@H]1[NH2+]CC1(C)C)C1CCN(Cc2ccccc2)CC1 ZINC000649322942 424992423 /nfs/dbraw/zinc/99/24/23/424992423.db2.gz XNKAARHRHYSROB-QGZVFWFLSA-N 1 3 315.461 2.107 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCN(c2ccncc2)CC1 ZINC000649351903 424998926 /nfs/dbraw/zinc/99/89/26/424998926.db2.gz OHEYDSPSIZTOTA-GOSISDBHSA-N 1 3 302.466 2.467 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1CN1CCN(c2ccncc2)CC1 ZINC000649351903 424998928 /nfs/dbraw/zinc/99/89/28/424998928.db2.gz OHEYDSPSIZTOTA-GOSISDBHSA-N 1 3 302.466 2.467 20 0 DEADHO COCCNC1CC[NH+](C[C@H]2CCOc3ccccc32)CC1 ZINC000650704744 425038159 /nfs/dbraw/zinc/03/81/59/425038159.db2.gz XLUWRAHKSZYMJZ-OAHLLOKOSA-N 1 3 304.434 2.253 20 0 DEADHO CC(C)n1nccc1CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708326 425039044 /nfs/dbraw/zinc/03/90/44/425039044.db2.gz XWEWTQDTMPIOPT-ZMSDIMECSA-N 1 3 306.454 2.182 20 0 DEADHO CN1CCC[C@@H]1C[N@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000649548490 425039151 /nfs/dbraw/zinc/03/91/51/425039151.db2.gz ZEFIALPUPBQDRA-LJQANCHMSA-N 1 3 316.493 2.115 20 0 DEADHO CN1CCC[C@@H]1C[N@@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000649548490 425039153 /nfs/dbraw/zinc/03/91/53/425039153.db2.gz ZEFIALPUPBQDRA-LJQANCHMSA-N 1 3 316.493 2.115 20 0 DEADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2ccc3c(c2)CCO3)C1 ZINC000650722072 425043193 /nfs/dbraw/zinc/04/31/93/425043193.db2.gz JYVRUMOABLQGFL-ZIFCJYIRSA-N 1 3 316.445 2.482 20 0 DEADHO CN(CCN1CCCCC1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000651073245 425097211 /nfs/dbraw/zinc/09/72/11/425097211.db2.gz ZBEKYZUHMMMDQI-UHFFFAOYSA-N 1 3 322.497 2.131 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)N(C)CCN2CCCCC2)CC1 ZINC000650927723 425079014 /nfs/dbraw/zinc/07/90/14/425079014.db2.gz PXIFXZLGYPFGGE-UHFFFAOYSA-N 1 3 324.513 2.236 20 0 DEADHO C[C@H](CCNC(=O)N(C)CCN1CCCCC1)[NH+]1CCCCC1 ZINC000651026855 425090748 /nfs/dbraw/zinc/09/07/48/425090748.db2.gz NFYOMYQSYVECDX-QGZVFWFLSA-N 1 3 324.513 2.378 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000660591632 425169833 /nfs/dbraw/zinc/16/98/33/425169833.db2.gz JHFCTARKLITCCG-INIZCTEOSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000660591632 425169837 /nfs/dbraw/zinc/16/98/37/425169837.db2.gz JHFCTARKLITCCG-INIZCTEOSA-N 1 3 324.513 2.280 20 0 DEADHO Cc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000663502500 425173802 /nfs/dbraw/zinc/17/38/02/425173802.db2.gz HZFLARWBLJMUMD-YJBOKZPZSA-N 1 3 315.461 2.159 20 0 DEADHO CC(C)[C@H](N)CC[NH2+][C@@H](C)CCN1C(=O)c2ccccc2C1=O ZINC000663502380 425175067 /nfs/dbraw/zinc/17/50/67/425175067.db2.gz HLNGNMJEMKIPPK-XJKSGUPXSA-N 1 3 317.433 2.024 20 0 DEADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)CCN1C(=O)c2ccccc2C1=O ZINC000663502380 425175071 /nfs/dbraw/zinc/17/50/71/425175071.db2.gz HLNGNMJEMKIPPK-XJKSGUPXSA-N 1 3 317.433 2.024 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000660610525 425175628 /nfs/dbraw/zinc/17/56/28/425175628.db2.gz AEARUNWLULVZDS-OWCLPIDISA-N 1 3 310.486 2.033 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000660610525 425175631 /nfs/dbraw/zinc/17/56/31/425175631.db2.gz AEARUNWLULVZDS-OWCLPIDISA-N 1 3 310.486 2.033 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000666758218 425177197 /nfs/dbraw/zinc/17/71/97/425177197.db2.gz LSXLENGWFPEYRL-SJORKVTESA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000666758218 425177203 /nfs/dbraw/zinc/17/72/03/425177203.db2.gz LSXLENGWFPEYRL-SJORKVTESA-N 1 3 324.513 2.090 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H](C3CCCCC3)C2)C1 ZINC000656791317 425190377 /nfs/dbraw/zinc/19/03/77/425190377.db2.gz XEZCZWSGKUPUMZ-NVXWUHKLSA-N 1 3 307.482 2.086 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H](C3CCCCC3)C2)C1 ZINC000656791317 425190380 /nfs/dbraw/zinc/19/03/80/425190380.db2.gz XEZCZWSGKUPUMZ-NVXWUHKLSA-N 1 3 307.482 2.086 20 0 DEADHO CN(CCN1CCCC1)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000666665002 425156397 /nfs/dbraw/zinc/15/63/97/425156397.db2.gz RMEWXVKDRYOVJU-INIZCTEOSA-N 1 3 322.497 2.131 20 0 DEADHO CN(CCN1CCCC1)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000666665002 425156400 /nfs/dbraw/zinc/15/64/00/425156400.db2.gz RMEWXVKDRYOVJU-INIZCTEOSA-N 1 3 322.497 2.131 20 0 DEADHO CCCN1CCN(c2ccccc2C[NH2+][C@H](CO)CCF)CC1 ZINC000652018477 425163163 /nfs/dbraw/zinc/16/31/63/425163163.db2.gz UNAHEXRYEZGMLH-KRWDZBQOSA-N 1 3 323.456 2.029 20 0 DEADHO CC(C)c1ccnc(N2CCN(C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)n1 ZINC000666699839 425164301 /nfs/dbraw/zinc/16/43/01/425164301.db2.gz YHXINJQCRUZVQN-JKSUJKDBSA-N 1 3 317.481 2.110 20 0 DEADHO [NH3+]CC1(CCNC(=O)N2CCN(CC3CCCCC3)CC2)CC1 ZINC000652242384 425222258 /nfs/dbraw/zinc/22/22/58/425222258.db2.gz KRKUDMMINUAXJC-UHFFFAOYSA-N 1 3 322.497 2.023 20 0 DEADHO CCN(C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCN(C)C1 ZINC000663787708 425235742 /nfs/dbraw/zinc/23/57/42/425235742.db2.gz KFKRGBJILRGMBB-HZPDHXFCSA-N 1 3 324.513 2.233 20 0 DEADHO CCN(C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCN(C)C1 ZINC000663787708 425235745 /nfs/dbraw/zinc/23/57/45/425235745.db2.gz KFKRGBJILRGMBB-HZPDHXFCSA-N 1 3 324.513 2.233 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000660795722 425239221 /nfs/dbraw/zinc/23/92/21/425239221.db2.gz DIIZGWNSIODOFY-MRXNPFEDSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000660825307 425247417 /nfs/dbraw/zinc/24/74/17/425247417.db2.gz UKYSWYTXIMHODR-LSDHHAIUSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H](CNC(=O)NC[C@@H]1CCN1C(C)(C)C)C[NH+]1CCCCC1 ZINC000660833003 425249820 /nfs/dbraw/zinc/24/98/20/425249820.db2.gz JHKJFGMOSJVUSQ-CVEARBPZSA-N 1 3 324.513 2.280 20 0 DEADHO COc1cnccc1N1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000663866316 425255262 /nfs/dbraw/zinc/25/52/62/425255262.db2.gz JMCQIUQDCDXVTN-UHFFFAOYSA-N 1 3 309.373 2.293 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)NC[C@@H]2CCN2C(C)(C)C)CC1 ZINC000660857194 425258114 /nfs/dbraw/zinc/25/81/14/425258114.db2.gz HSTHFXWUJQJNAL-INIZCTEOSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCN2C(C)(C)C)C1 ZINC000660890653 425269957 /nfs/dbraw/zinc/26/99/57/425269957.db2.gz RSJYXKSIBSSXGK-HOTGVXAUSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCN2C(C)(C)C)C1 ZINC000660890653 425269959 /nfs/dbraw/zinc/26/99/59/425269959.db2.gz RSJYXKSIBSSXGK-HOTGVXAUSA-N 1 3 324.513 2.136 20 0 DEADHO COCc1csc(C[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)c1 ZINC000657358129 425316243 /nfs/dbraw/zinc/31/62/43/425316243.db2.gz BSIUGVPOMONPIE-OAHLLOKOSA-N 1 3 323.506 2.153 20 0 DEADHO CN1CCN(CCCC[NH2+]Cc2cc3ccncc3s2)CC1 ZINC000657308149 425300467 /nfs/dbraw/zinc/30/04/67/425300467.db2.gz OVTFTPWOTPHSTD-UHFFFAOYSA-N 1 3 318.490 2.414 20 0 DEADHO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CO1 ZINC000657350626 425311633 /nfs/dbraw/zinc/31/16/33/425311633.db2.gz VFAMJDHZLPELSI-MJGOQNOKSA-N 1 3 318.461 2.300 20 0 DEADHO Cn1ncc(C2CCC2)c1CNCCCC[N@@H+]1CCC[C@H]1CO ZINC000657356621 425313850 /nfs/dbraw/zinc/31/38/50/425313850.db2.gz OUVLACOUOCRRBJ-INIZCTEOSA-N 1 3 320.481 2.014 20 0 DEADHO Cn1ncc(C2CCC2)c1CNCCCC[N@H+]1CCC[C@H]1CO ZINC000657356621 425313854 /nfs/dbraw/zinc/31/38/54/425313854.db2.gz OUVLACOUOCRRBJ-INIZCTEOSA-N 1 3 320.481 2.014 20 0 DEADHO Cn1nc(C(F)(F)F)cc1CNCC[C@@H]1CCC[N@H+](C)C1 ZINC000657491067 425349111 /nfs/dbraw/zinc/34/91/11/425349111.db2.gz BJUVYPZRKLGMDY-NSHDSACASA-N 1 3 304.360 2.260 20 0 DEADHO Cn1nc(C(F)(F)F)cc1CNCC[C@@H]1CCC[N@@H+](C)C1 ZINC000657491067 425349115 /nfs/dbraw/zinc/34/91/15/425349115.db2.gz BJUVYPZRKLGMDY-NSHDSACASA-N 1 3 304.360 2.260 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](C)C3CC3)CC2)CC1 ZINC000654598716 425394339 /nfs/dbraw/zinc/39/43/39/425394339.db2.gz BVHQOTSFKSNVGG-HNNXBMFYSA-N 1 3 321.509 2.345 20 0 DEADHO CNC(=O)CC1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCCC1 ZINC000657762550 425397550 /nfs/dbraw/zinc/39/75/50/425397550.db2.gz KUMWFGSWCXKWBH-HOTGVXAUSA-N 1 3 307.482 2.289 20 0 DEADHO CNC(=O)CC1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CCCCC1 ZINC000657762550 425397554 /nfs/dbraw/zinc/39/75/54/425397554.db2.gz KUMWFGSWCXKWBH-HOTGVXAUSA-N 1 3 307.482 2.289 20 0 DEADHO CNC(=O)CC1(C[NH2+][C@H]2CCN3CCC[C@H]3C2)CCCCC1 ZINC000657762550 425397557 /nfs/dbraw/zinc/39/75/57/425397557.db2.gz KUMWFGSWCXKWBH-HOTGVXAUSA-N 1 3 307.482 2.289 20 0 DEADHO CN(C)c1ccncc1CNCC1CC[NH+](CC2CC2)CC1 ZINC000657813574 425404469 /nfs/dbraw/zinc/40/44/69/425404469.db2.gz SGYLDHATGHVWQI-UHFFFAOYSA-N 1 3 302.466 2.359 20 0 DEADHO CCCCN1CCCC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653113995 425409513 /nfs/dbraw/zinc/40/95/13/425409513.db2.gz VHTWDFRVWZFLQU-IXDOHACOSA-N 1 3 307.482 2.288 20 0 DEADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H](C)Cn2cncn2)c1 ZINC000657855911 425410240 /nfs/dbraw/zinc/41/02/40/425410240.db2.gz JFHCOMFSSPZFQO-OAHLLOKOSA-N 1 3 301.438 2.297 20 0 DEADHO CC(C)[N@H+](C)Cc1cccc(CN[C@H](C)Cn2cncn2)c1 ZINC000657855911 425410244 /nfs/dbraw/zinc/41/02/44/425410244.db2.gz JFHCOMFSSPZFQO-OAHLLOKOSA-N 1 3 301.438 2.297 20 0 DEADHO O[C@H]1CCN(Cc2ccc(C[NH2+]C3CCSCC3)cc2)C1 ZINC000657595677 425371493 /nfs/dbraw/zinc/37/14/93/425371493.db2.gz RPROUWIERXRMDC-KRWDZBQOSA-N 1 3 306.475 2.238 20 0 DEADHO CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654732770 425427522 /nfs/dbraw/zinc/42/75/22/425427522.db2.gz GFGBFBHXRHANLG-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO CCCCC[N@H+](CCNC(=O)C1(N)CC1)Cc1ccccc1 ZINC000653200353 425432327 /nfs/dbraw/zinc/43/23/27/425432327.db2.gz BFDAGTYCPDBFFS-UHFFFAOYSA-N 1 3 303.450 2.286 20 0 DEADHO CCCCC[N@@H+](CCNC(=O)C1(N)CC1)Cc1ccccc1 ZINC000653200353 425432331 /nfs/dbraw/zinc/43/23/31/425432331.db2.gz BFDAGTYCPDBFFS-UHFFFAOYSA-N 1 3 303.450 2.286 20 0 DEADHO [NH3+]CC1(CCNC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000653221393 425437891 /nfs/dbraw/zinc/43/78/91/425437891.db2.gz VPHLJGZTBHFWEH-UHFFFAOYSA-N 1 3 301.434 2.141 20 0 DEADHO C[C@H]([NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)[C@]1(C)CCCO1 ZINC000658134311 425442455 /nfs/dbraw/zinc/44/24/55/425442455.db2.gz ACTYJUPQRGTCEG-SNRMKQJTSA-N 1 3 318.461 2.300 20 0 DEADHO COC[C@@H](CC(C)C)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658139875 425444724 /nfs/dbraw/zinc/44/47/24/425444724.db2.gz NGQPHDUEGVLIQB-MOPGFXCFSA-N 1 3 320.477 2.404 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CC[C@H](C3CCCCC3)C2)CC1 ZINC000661586498 425448389 /nfs/dbraw/zinc/44/83/89/425448389.db2.gz QIFKOFZOSOHDTH-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000661898789 425521694 /nfs/dbraw/zinc/52/16/94/425521694.db2.gz SIEXQTSUCLPCHH-ULQDDVLXSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000661898789 425521697 /nfs/dbraw/zinc/52/16/97/425521697.db2.gz SIEXQTSUCLPCHH-ULQDDVLXSA-N 1 3 322.497 2.033 20 0 DEADHO CC(C)N1CCN(CCC[NH+]2CCC3(CCCC3=O)CC2)CC1 ZINC000661957939 425529720 /nfs/dbraw/zinc/52/97/20/425529720.db2.gz MATZPQLGPIVGAD-UHFFFAOYSA-N 1 3 321.509 2.238 20 0 DEADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H](C)[C@@H]2CCOC2)cc1F ZINC000665259781 425532629 /nfs/dbraw/zinc/53/26/29/425532629.db2.gz PWHLNVFPUWHKJN-GUSZCTEKSA-N 1 3 322.424 2.294 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCc1nsc2ccccc12 ZINC000665276483 425534248 /nfs/dbraw/zinc/53/42/48/425534248.db2.gz DNGYUUHPQBKFTK-IACUBPJLSA-N 1 3 305.447 2.181 20 0 DEADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCc1nsc2ccccc12 ZINC000665276483 425534251 /nfs/dbraw/zinc/53/42/51/425534251.db2.gz DNGYUUHPQBKFTK-IACUBPJLSA-N 1 3 305.447 2.181 20 0 DEADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C1C[NH+](C2CCCCC2)C1 ZINC000655349916 425539902 /nfs/dbraw/zinc/53/99/02/425539902.db2.gz MKVGBLDRUZTDHO-MSOLQXFVSA-N 1 3 319.493 2.384 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000655351054 425541945 /nfs/dbraw/zinc/54/19/45/425541945.db2.gz KHCMZFXJUYQXGK-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1=CCCCC1 ZINC000664981569 425489579 /nfs/dbraw/zinc/48/95/79/425489579.db2.gz XGVDGANZFSBAFE-HNNXBMFYSA-N 1 3 310.486 2.058 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1=CCCCC1 ZINC000664981569 425489582 /nfs/dbraw/zinc/48/95/82/425489582.db2.gz XGVDGANZFSBAFE-HNNXBMFYSA-N 1 3 310.486 2.058 20 0 DEADHO COC[C@H](C[N@@H+]1CCCC[C@@H]1[C@H](CN)Cc1ccccc1)OC ZINC000662271061 425610472 /nfs/dbraw/zinc/61/04/72/425610472.db2.gz QEURHGQYBKXQMX-GBESFXJTSA-N 1 3 320.477 2.320 20 0 DEADHO COC[C@H](C[N@H+]1CCCC[C@@H]1[C@H](CN)Cc1ccccc1)OC ZINC000662271061 425610474 /nfs/dbraw/zinc/61/04/74/425610474.db2.gz QEURHGQYBKXQMX-GBESFXJTSA-N 1 3 320.477 2.320 20 0 DEADHO O[C@@H]1CC[N@@H+](C2CCN(C[C@H]3CCc4ccccc4C3)CC2)C1 ZINC000662152439 425576250 /nfs/dbraw/zinc/57/62/50/425576250.db2.gz DOELZRBTSZNFHT-OXJNMPFZSA-N 1 3 314.473 2.323 20 0 DEADHO O[C@@H]1CC[N@H+](C2CCN(C[C@H]3CCc4ccccc4C3)CC2)C1 ZINC000662152439 425576252 /nfs/dbraw/zinc/57/62/52/425576252.db2.gz DOELZRBTSZNFHT-OXJNMPFZSA-N 1 3 314.473 2.323 20 0 DEADHO O[C@H]1CC[N@@H+](C2CCN(C[C@@H]3CCc4ccccc4C3)CC2)C1 ZINC000662152441 425576781 /nfs/dbraw/zinc/57/67/81/425576781.db2.gz DOELZRBTSZNFHT-UZLBHIALSA-N 1 3 314.473 2.323 20 0 DEADHO O[C@H]1CC[N@H+](C2CCN(C[C@@H]3CCc4ccccc4C3)CC2)C1 ZINC000662152441 425576784 /nfs/dbraw/zinc/57/67/84/425576784.db2.gz DOELZRBTSZNFHT-UZLBHIALSA-N 1 3 314.473 2.323 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000655494632 425581028 /nfs/dbraw/zinc/58/10/28/425581028.db2.gz LSBUFLLCBBCCCJ-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO CN1CC[C@@H](NC(=O)NCC2([NH3+])CCCC2)[C@@H]1c1ccccc1 ZINC000659473394 425611536 /nfs/dbraw/zinc/61/15/36/425611536.db2.gz JDBJSPXPYFBXRV-CVEARBPZSA-N 1 3 316.449 2.003 20 0 DEADHO CCC[N@H+](C[C@@H]1CCC2(CNC2)O1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000662256031 425603398 /nfs/dbraw/zinc/60/33/98/425603398.db2.gz IGPYKXNRGNCWRC-XHSDSOJGSA-N 1 3 310.482 2.423 20 0 DEADHO CCC[N@@H+](C[C@@H]1CCC2(CNC2)O1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000662256031 425603399 /nfs/dbraw/zinc/60/33/99/425603399.db2.gz IGPYKXNRGNCWRC-XHSDSOJGSA-N 1 3 310.482 2.423 20 0 DEADHO O[C@H]([C@@H]1CCCN1Cc1cccc2c1CC[NH2+]C2)C(F)(F)F ZINC000662258984 425604480 /nfs/dbraw/zinc/60/44/80/425604480.db2.gz ZRQZWHLITWAWCU-LSDHHAIUSA-N 1 3 314.351 2.220 20 0 DEADHO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662261912 425606281 /nfs/dbraw/zinc/60/62/81/425606281.db2.gz CGXTUWMLNMWYLR-IAGOWNOFSA-N 1 3 315.461 2.238 20 0 DEADHO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662261912 425606285 /nfs/dbraw/zinc/60/62/85/425606285.db2.gz CGXTUWMLNMWYLR-IAGOWNOFSA-N 1 3 315.461 2.238 20 0 DEADHO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662261921 425607024 /nfs/dbraw/zinc/60/70/24/425607024.db2.gz CGXTUWMLNMWYLR-SJORKVTESA-N 1 3 315.461 2.238 20 0 DEADHO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662261921 425607026 /nfs/dbraw/zinc/60/70/26/425607026.db2.gz CGXTUWMLNMWYLR-SJORKVTESA-N 1 3 315.461 2.238 20 0 DEADHO CC1(C)CN(C[C@H]2CCC3(C[NH2+]C3)O2)CC[C@H]1C(F)(F)F ZINC000662280898 425611683 /nfs/dbraw/zinc/61/16/83/425611683.db2.gz GXDCHGFPHISKEX-VXGBXAGGSA-N 1 3 306.372 2.418 20 0 DEADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)N[C@@H]3CCN(C4CC4)C3)cc21 ZINC000662410373 425644690 /nfs/dbraw/zinc/64/46/90/425644690.db2.gz RILCRPATWMFQFK-JKSUJKDBSA-N 1 3 313.445 2.032 20 0 DEADHO CCCN(CC)C[C@@H](C)[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000655769934 425650130 /nfs/dbraw/zinc/65/01/30/425650130.db2.gz SOEORWKFZRTRFQ-AEFFLSMTSA-N 1 3 311.514 2.340 20 0 DEADHO C[C@H](NC(=O)c1cc2c(s1)CCNC2)C(C)(C)C[NH+](C)C ZINC000662473876 425659855 /nfs/dbraw/zinc/65/98/55/425659855.db2.gz OTJKRGBWQZWDCI-NSHDSACASA-N 1 3 309.479 2.100 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CCN1C ZINC000662475805 425661462 /nfs/dbraw/zinc/66/14/62/425661462.db2.gz POCZOMYVVVHTAU-KBRIMQKVSA-N 1 3 315.461 2.278 20 0 DEADHO CC[NH+](CC)CC1CCN([C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000659843176 425665770 /nfs/dbraw/zinc/66/57/70/425665770.db2.gz MOGDRXXJTMIKSN-FGTMMUONSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]([NH2+]C[C@@H]1CCC2(CNC2)O1)c1cccc(-n2cccn2)c1 ZINC000662281347 425612150 /nfs/dbraw/zinc/61/21/50/425612150.db2.gz JSNIBQQTNBXDHC-YOEHRIQHSA-N 1 3 312.417 2.044 20 0 DEADHO CCC(CC)NC(=O)[C@@H](C)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290850 425613609 /nfs/dbraw/zinc/61/36/09/425613609.db2.gz LYWZUKGISHKOFK-GDBMZVCRSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H]1CCCCN1C(=O)CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290426 425613867 /nfs/dbraw/zinc/61/38/67/425613867.db2.gz UXJBXPUNIWWYFP-DOTOQJQBSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1CCCCN1C(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293239 425615587 /nfs/dbraw/zinc/61/55/87/425615587.db2.gz DSZZMFZFBMSAFG-WBVHZDCISA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000659491864 425615567 /nfs/dbraw/zinc/61/55/67/425615567.db2.gz DYNAWXLDSLSFGV-UAGQMJEPSA-N 1 3 320.481 2.350 20 0 DEADHO C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295738 425615810 /nfs/dbraw/zinc/61/58/10/425615810.db2.gz RZEQHUWMTDNTNY-NJAFHUGGSA-N 1 3 321.509 2.393 20 0 DEADHO COc1ccc([C@@H](CN)C[N@@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000662314182 425621927 /nfs/dbraw/zinc/62/19/27/425621927.db2.gz AYLOOVPAUVFAAT-WMZOPIPTSA-N 1 3 304.434 2.240 20 0 DEADHO COc1ccc([C@@H](CN)C[N@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000662314182 425621930 /nfs/dbraw/zinc/62/19/30/425621930.db2.gz AYLOOVPAUVFAAT-WMZOPIPTSA-N 1 3 304.434 2.240 20 0 DEADHO CN(C)C1(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)CCCCC1 ZINC000655690238 425629554 /nfs/dbraw/zinc/62/95/54/425629554.db2.gz IYTFPUMWXHJRMN-QGZVFWFLSA-N 1 3 309.498 2.094 20 0 DEADHO C[C@@H]1CCCCN1CC[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000655690934 425630425 /nfs/dbraw/zinc/63/04/25/425630425.db2.gz NKHUPMKODPJBOF-AEFFLSMTSA-N 1 3 309.498 2.094 20 0 DEADHO C[C@H](C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)N1CCC[C@@H](C)C1 ZINC000655690101 425630493 /nfs/dbraw/zinc/63/04/93/425630493.db2.gz VMNQEYQRBSQUJP-ZHALLVOQSA-N 1 3 323.525 2.340 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659570577 425630676 /nfs/dbraw/zinc/63/06/76/425630676.db2.gz IFZGJKJGXOEISS-UHFFFAOYSA-N 1 3 310.486 2.021 20 0 DEADHO CN(C)CCN(Cc1ccccc1)C(=O)NCC1([NH3+])CCCC1 ZINC000659571794 425630723 /nfs/dbraw/zinc/63/07/23/425630723.db2.gz UKYUPSFXBHNGCL-UHFFFAOYSA-N 1 3 318.465 2.031 20 0 DEADHO CN(CC[NH2+]C1CCN([C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000655700260 425630907 /nfs/dbraw/zinc/63/09/07/425630907.db2.gz JHVZFHWCWHIRHD-GOSISDBHSA-N 1 3 309.498 2.094 20 0 DEADHO CN(CCCN(C)C(=O)NCC1([NH3+])CCCC1)Cc1ccco1 ZINC000659579291 425631605 /nfs/dbraw/zinc/63/16/05/425631605.db2.gz YTSDBKYJXKUXHG-UHFFFAOYSA-N 1 3 322.453 2.014 20 0 DEADHO CN(CC[NH2+]C1CCN([C@H]2CCOC2)CC1)C1CCCCC1 ZINC000655700261 425631848 /nfs/dbraw/zinc/63/18/48/425631848.db2.gz JHVZFHWCWHIRHD-SFHVURJKSA-N 1 3 309.498 2.094 20 0 DEADHO C[C@@H](C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)CN1CCCCC1 ZINC000655696677 425631891 /nfs/dbraw/zinc/63/18/91/425631891.db2.gz IUFYJOINRANPIV-PKOBYXMFSA-N 1 3 323.525 2.341 20 0 DEADHO C[C@@H]1CCC[C@](C[NH2+]C2CCN([C@@H]3CCOC3)CC2)(N(C)C)C1 ZINC000655697795 425632216 /nfs/dbraw/zinc/63/22/16/425632216.db2.gz VYRKEZWPIOZACW-QRQLOZEOSA-N 1 3 323.525 2.340 20 0 DEADHO CN(C)CCN(C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)C1CC1 ZINC000662541708 425678889 /nfs/dbraw/zinc/67/88/89/425678889.db2.gz LFOUNLGJQZKOHP-MRXNPFEDSA-N 1 3 315.461 2.231 20 0 DEADHO C[C@@H]1CCC[C@@H](C)N1CC[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000655710495 425635770 /nfs/dbraw/zinc/63/57/70/425635770.db2.gz CEHQYXOVKMLLBN-NUJGCVRESA-N 1 3 309.498 2.092 20 0 DEADHO CC(C)[C@H]([NH3+])CCNC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000659623802 425639075 /nfs/dbraw/zinc/63/90/75/425639075.db2.gz LRHZJPBDOAAIKS-OFLPRAFFSA-N 1 3 324.513 2.266 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC(C2CCCC2)C1 ZINC000665763136 425640859 /nfs/dbraw/zinc/64/08/59/425640859.db2.gz ZFPOFTJDCJNBRN-HNNXBMFYSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(C2CCCC2)C1 ZINC000665763136 425640861 /nfs/dbraw/zinc/64/08/61/425640861.db2.gz ZFPOFTJDCJNBRN-HNNXBMFYSA-N 1 3 324.513 2.090 20 0 DEADHO O=C(NC1CC([NH+]2CCCCC2)C1)c1cccc2c1CCNC2 ZINC000662794771 425737265 /nfs/dbraw/zinc/73/72/65/425737265.db2.gz SVEFJEISWYKYGF-UHFFFAOYSA-N 1 3 313.445 2.079 20 0 DEADHO CO[C@H](CN1CCN(C2CC[NH+](C(C)C)CC2)CC1)C1CCC1 ZINC000660107904 425739864 /nfs/dbraw/zinc/73/98/64/425739864.db2.gz SDJKPAFSDAWFOM-LJQANCHMSA-N 1 3 323.525 2.292 20 0 DEADHO O=C(N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1(NC2CC2)CCC1 ZINC000662805885 425741509 /nfs/dbraw/zinc/74/15/09/425741509.db2.gz OJZWLRRABQOAJF-PBHICJAKSA-N 1 3 317.477 2.136 20 0 DEADHO O=C(N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1(NC2CC2)CCC1 ZINC000662805885 425741512 /nfs/dbraw/zinc/74/15/12/425741512.db2.gz OJZWLRRABQOAJF-PBHICJAKSA-N 1 3 317.477 2.136 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000662811660 425741588 /nfs/dbraw/zinc/74/15/88/425741588.db2.gz ABFAVZMYYSPKKE-BPQIPLTHSA-N 1 3 313.445 2.212 20 0 DEADHO N[C@H](CC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)c1ccccc1 ZINC000662587582 425687405 /nfs/dbraw/zinc/68/74/05/425687405.db2.gz HYTXAONHZYIDGQ-QZTJIDSGSA-N 1 3 315.461 2.315 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662593279 425689443 /nfs/dbraw/zinc/68/94/43/425689443.db2.gz NDTMFPGYSCQEDZ-YOEHRIQHSA-N 1 3 315.461 2.458 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662593279 425689446 /nfs/dbraw/zinc/68/94/46/425689446.db2.gz NDTMFPGYSCQEDZ-YOEHRIQHSA-N 1 3 315.461 2.458 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000655962662 425694667 /nfs/dbraw/zinc/69/46/67/425694667.db2.gz AFCNPVSTVXAPTA-GJZGRUSLSA-N 1 3 310.486 2.020 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000655970829 425697092 /nfs/dbraw/zinc/69/70/92/425697092.db2.gz XRUFJBBTQCGKKN-UHFFFAOYSA-N 1 3 318.465 2.161 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@H]2[NH2+]CCC2(C)C)N(C)C)cc1 ZINC000662663984 425705920 /nfs/dbraw/zinc/70/59/20/425705920.db2.gz RKTIYJNPAABWMS-DLBZAZTESA-N 1 3 317.477 2.356 20 0 DEADHO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cccc2c1CNC2 ZINC000662668882 425707462 /nfs/dbraw/zinc/70/74/62/425707462.db2.gz RTZWQDOTKMOKBN-HNNXBMFYSA-N 1 3 313.445 2.427 20 0 DEADHO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1cccc2c1CNC2 ZINC000662668882 425707465 /nfs/dbraw/zinc/70/74/65/425707465.db2.gz RTZWQDOTKMOKBN-HNNXBMFYSA-N 1 3 313.445 2.427 20 0 DEADHO O=C(NCCC[NH+]1CCCCCC1)c1cccc2c1CCNC2 ZINC000662667086 425707621 /nfs/dbraw/zinc/70/76/21/425707621.db2.gz XLJDLDSUYBICGV-UHFFFAOYSA-N 1 3 315.461 2.328 20 0 DEADHO O=C(N[C@@H]1CCN(C2CCCCC2)C1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000662669436 425707831 /nfs/dbraw/zinc/70/78/31/425707831.db2.gz ZEOJRGYGWONYHU-DJIMGWMZSA-N 1 3 305.466 2.040 20 0 DEADHO C[NH+](C)CCOc1cccc(NC(=O)C2(NC3CC3)CCC2)c1 ZINC000662673867 425709156 /nfs/dbraw/zinc/70/91/56/425709156.db2.gz UFFULJQCYDYRAJ-UHFFFAOYSA-N 1 3 317.433 2.240 20 0 DEADHO CCC[NH+]1CCC(N(C)C(=O)c2cccc3c2CNC3)CC1 ZINC000662691390 425713834 /nfs/dbraw/zinc/71/38/34/425713834.db2.gz RHAPECWPJHVEOW-UHFFFAOYSA-N 1 3 301.434 2.236 20 0 DEADHO C[C@H]1CCC[C@@](CNC(=O)C2(NC3CC3)CCC2)([NH+](C)C)C1 ZINC000662694074 425714706 /nfs/dbraw/zinc/71/47/06/425714706.db2.gz ZILOTUZROUHJCL-WMLDXEAASA-N 1 3 307.482 2.288 20 0 DEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200556 425729167 /nfs/dbraw/zinc/72/91/67/425729167.db2.gz QNYACZSPVCTGQE-DZVNLGKHSA-N 1 3 311.514 2.385 20 0 DEADHO COc1cc(OC)cc(OCCC[NH2+][C@H]2CCC[C@@H](N)C2)c1 ZINC000656197903 425729270 /nfs/dbraw/zinc/72/92/70/425729270.db2.gz OYMLFFDAVCDOPN-KGLIPLIRSA-N 1 3 308.422 2.332 20 0 DEADHO COc1cc(OC)cc(OCCCN[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000656197903 425729273 /nfs/dbraw/zinc/72/92/73/425729273.db2.gz OYMLFFDAVCDOPN-KGLIPLIRSA-N 1 3 308.422 2.332 20 0 DEADHO [NH3+][C@H]1CCC[C@@H](NCCOc2ncccc2C(F)(F)F)C1 ZINC000656198445 425729716 /nfs/dbraw/zinc/72/97/16/425729716.db2.gz XPGUUPCPESXJRW-WDEREUQCSA-N 1 3 303.328 2.339 20 0 DEADHO N[C@H]1CCC[C@@H]([NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)C1 ZINC000656199044 425729750 /nfs/dbraw/zinc/72/97/50/425729750.db2.gz CXXPGKFEMSKNEN-GXTWGEPZSA-N 1 3 324.856 2.132 20 0 DEADHO [NH3+]C[C@H](C(=O)N[C@H]1CCCN2CCCC[C@H]12)c1ccc(F)cc1 ZINC000662839682 425745605 /nfs/dbraw/zinc/74/56/05/425745605.db2.gz STEQHGDUNXIFQU-YESZJQIVSA-N 1 3 319.424 2.001 20 0 DEADHO [NH3+]C[C@H](C(=O)N[C@H]1CCCN2CCCC[C@@H]12)c1ccc(F)cc1 ZINC000662839681 425745887 /nfs/dbraw/zinc/74/58/87/425745887.db2.gz STEQHGDUNXIFQU-ULQDDVLXSA-N 1 3 319.424 2.001 20 0 DEADHO CCN1CCN(CCNc2c(C)c[nH+]c3c(C)cccc23)CC1 ZINC000663398319 425835673 /nfs/dbraw/zinc/83/56/73/425835673.db2.gz QDELMPPTVSNWCN-UHFFFAOYSA-N 1 3 312.461 2.323 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCCC[C@H]1C ZINC000663417281 425837252 /nfs/dbraw/zinc/83/72/52/425837252.db2.gz ZUHWCWVYHNHEDX-PMPSAXMXSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCCC[C@H]1C ZINC000663417281 425837253 /nfs/dbraw/zinc/83/72/53/425837253.db2.gz ZUHWCWVYHNHEDX-PMPSAXMXSA-N 1 3 312.502 2.136 20 0 DEADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]C3CCNCC3)C[C@@H]2C1 ZINC000401120925 269111970 /nfs/dbraw/zinc/11/19/70/269111970.db2.gz LLNPKCLQLCTGHW-LZWOXQAQSA-N 1 3 323.481 2.364 20 0 DEADHO CC(C)([NH3+])CN[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000401125629 269112025 /nfs/dbraw/zinc/11/20/25/269112025.db2.gz NPJYUCJDCMBOHT-BFHYXJOUSA-N 1 3 311.470 2.349 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000423142586 269115639 /nfs/dbraw/zinc/11/56/39/269115639.db2.gz AQBMIXFYCYFRIR-NWDGAFQWSA-N 1 3 318.870 2.219 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)C[C@H](c2ccccc2)[NH+](C)C)CN1C1CC1 ZINC000433384543 269135543 /nfs/dbraw/zinc/13/55/43/269135543.db2.gz KRPCQNUJHDLJQS-QGPMSJSTSA-N 1 3 315.461 2.421 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@@H]2CN(C)C(=O)O2)CC1 ZINC000495732932 269173097 /nfs/dbraw/zinc/17/30/97/269173097.db2.gz YKLIVBJYVMXCIC-WBVHZDCISA-N 1 3 323.481 2.414 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@@H]2CN(C)C(=O)O2)CC1 ZINC000495732932 269173098 /nfs/dbraw/zinc/17/30/98/269173098.db2.gz YKLIVBJYVMXCIC-WBVHZDCISA-N 1 3 323.481 2.414 20 0 DEADHO CNCCC[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000497126594 269289078 /nfs/dbraw/zinc/28/90/78/269289078.db2.gz HSWXNAWHGMXOFS-OAHLLOKOSA-N 1 3 305.422 2.239 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000517739158 269391231 /nfs/dbraw/zinc/39/12/31/269391231.db2.gz LKXFVKVHPUOAEW-JKSUJKDBSA-N 1 3 307.482 2.097 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000517892506 269393976 /nfs/dbraw/zinc/39/39/76/269393976.db2.gz UZEUDGXCMABHOL-CQSZACIVSA-N 1 3 320.437 2.020 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC(N2CCOC[C@H]2C)CC1 ZINC000517957161 269395369 /nfs/dbraw/zinc/39/53/69/269395369.db2.gz NPLAJCSWKBUKLN-IEBWSBKVSA-N 1 3 323.525 2.434 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1CN1CCC(N2CCOC[C@H]2C)CC1 ZINC000517957161 269395370 /nfs/dbraw/zinc/39/53/70/269395370.db2.gz NPLAJCSWKBUKLN-IEBWSBKVSA-N 1 3 323.525 2.434 20 0 DEADHO Brc1ccc2c(c1)CC[C@@H](N[C@@H]1[C@H]3C[NH2+]C[C@H]31)C2 ZINC000423421088 275370735 /nfs/dbraw/zinc/37/07/35/275370735.db2.gz CAOYNSMFTOHRBG-KBXIAJHMSA-N 1 3 307.235 2.114 20 0 DEADHO CCC[NH+]1CCC(CNC(=O)[C@@H](C2CC2)N2CCCC2)CC1 ZINC000123831283 276003861 /nfs/dbraw/zinc/00/38/61/276003861.db2.gz GLMPXIZFGUUHCO-QGZVFWFLSA-N 1 3 307.482 2.099 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000343582052 276011565 /nfs/dbraw/zinc/01/15/65/276011565.db2.gz ZBVLULCEMUOKIO-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000343582052 276011566 /nfs/dbraw/zinc/01/15/66/276011566.db2.gz ZBVLULCEMUOKIO-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CCC[C@](C)([NH3+])C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000353440294 276051434 /nfs/dbraw/zinc/05/14/34/276051434.db2.gz NKSSUVMSRPZBSF-KYJSFNMBSA-N 1 3 303.450 2.456 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000418351424 276057968 /nfs/dbraw/zinc/05/79/68/276057968.db2.gz LRXZZJDDNVZWKN-KBRIMQKVSA-N 1 3 318.465 2.189 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[C@@H](N)c2ccccc2)C1 ZINC000262663559 276072341 /nfs/dbraw/zinc/07/23/41/276072341.db2.gz HVISDKKDSVDMJP-HLLBOEOZSA-N 1 3 303.450 2.123 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[C@@H](N)c2ccccc2)C1 ZINC000262663559 276072342 /nfs/dbraw/zinc/07/23/42/276072342.db2.gz HVISDKKDSVDMJP-HLLBOEOZSA-N 1 3 303.450 2.123 20 0 DEADHO CC1(C)CCC[NH2+][C@H]1CNC1CCN(CC(F)(F)F)CC1 ZINC000414921439 276107264 /nfs/dbraw/zinc/10/72/64/276107264.db2.gz BIENNKQCZJWTLP-ZDUSSCGKSA-N 1 3 307.404 2.381 20 0 DEADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CNC3)C12CCOCC2 ZINC000423365339 276345865 /nfs/dbraw/zinc/34/58/65/276345865.db2.gz BDBXCGZVFTVNTL-QZTJIDSGSA-N 1 3 316.445 2.354 20 0 DEADHO CCN(CCNC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000101981500 276346682 /nfs/dbraw/zinc/34/66/82/276346682.db2.gz QKDSBASMSORIPI-IYBDPMFKSA-N 1 3 324.513 2.138 20 0 DEADHO CCN(CCNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000101981500 276346683 /nfs/dbraw/zinc/34/66/83/276346683.db2.gz QKDSBASMSORIPI-IYBDPMFKSA-N 1 3 324.513 2.138 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccccc2N(C)C)CC1 ZINC000093942391 276385537 /nfs/dbraw/zinc/38/55/37/276385537.db2.gz BXRROUUIMSWBKG-IRXDYDNUSA-N 1 3 318.509 2.429 20 0 DEADHO CN1CCC(O)(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000269364383 277032064 /nfs/dbraw/zinc/03/20/64/277032064.db2.gz QDSHKLMTUWTXQK-UHFFFAOYSA-N 1 3 320.330 2.391 20 0 DEADHO COC(=O)C1(C[N@H+](C)CC2CCN(c3ccncc3)CC2)CC1 ZINC000450647009 277308261 /nfs/dbraw/zinc/30/82/61/277308261.db2.gz WIFLKDVLLKPONK-UHFFFAOYSA-N 1 3 317.433 2.183 20 0 DEADHO COC(=O)C1(C[N@@H+](C)CC2CCN(c3ccncc3)CC2)CC1 ZINC000450647009 277308264 /nfs/dbraw/zinc/30/82/64/277308264.db2.gz WIFLKDVLLKPONK-UHFFFAOYSA-N 1 3 317.433 2.183 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)N1CCCCC1 ZINC000353388833 277860503 /nfs/dbraw/zinc/86/05/03/277860503.db2.gz QBFBEPVEUAQAAA-ZWKOTPCHSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@]2(C)CCCCN2)C1 ZINC000357803846 277965384 /nfs/dbraw/zinc/96/53/84/277965384.db2.gz WPECOAUYTLVROO-RKVPGOIHSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)[C@](C)(O)CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422982027 277987566 /nfs/dbraw/zinc/98/75/66/277987566.db2.gz VESPDGQPKFZVKA-KBAYOESNSA-N 1 3 304.434 2.239 20 0 DEADHO C[C@@H]1C[C@H](CCNC(=O)C(C)(C)N)C[N@@H+]1Cc1ccccc1 ZINC000423908087 278009754 /nfs/dbraw/zinc/00/97/54/278009754.db2.gz SAXURUZMUOYFQN-ZBFHGGJFSA-N 1 3 303.450 2.141 20 0 DEADHO C[C@@H]1C[C@H](CCNC(=O)C(C)(C)N)C[N@H+]1Cc1ccccc1 ZINC000423908087 278009758 /nfs/dbraw/zinc/00/97/58/278009758.db2.gz SAXURUZMUOYFQN-ZBFHGGJFSA-N 1 3 303.450 2.141 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423213954 278057635 /nfs/dbraw/zinc/05/76/35/278057635.db2.gz KTOAPDGGQQFERD-RRFJBIMHSA-N 1 3 319.449 2.390 20 0 DEADHO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357075377 278145498 /nfs/dbraw/zinc/14/54/98/278145498.db2.gz HJPBLQJRRYVNBH-KYHPRHEASA-N 1 3 321.509 2.201 20 0 DEADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000305765859 288102791 /nfs/dbraw/zinc/10/27/91/288102791.db2.gz FHIRZEOEQNTEJN-QWXYKEQDSA-N 1 3 323.525 2.073 20 0 DEADHO CC[NH+](CC)CCCNC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000249291502 279098006 /nfs/dbraw/zinc/09/80/06/279098006.db2.gz AAQWLTGSDHSAJB-HZPDHXFCSA-N 1 3 312.502 2.138 20 0 DEADHO CC(C)C[C@H](C[NH3+])NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000418452189 279137983 /nfs/dbraw/zinc/13/79/83/279137983.db2.gz WYCMHOYZRRCZSH-OAHLLOKOSA-N 1 3 312.502 2.123 20 0 DEADHO CC[N@H+](CCNC(=O)NC[C@H](c1ccccc1)N(C)C)C(C)C ZINC000102547098 279198848 /nfs/dbraw/zinc/19/88/48/279198848.db2.gz VSPRROIWWSVOGB-QGZVFWFLSA-N 1 3 320.481 2.319 20 0 DEADHO CC[N@@H+](CCNC(=O)NC[C@H](c1ccccc1)N(C)C)C(C)C ZINC000102547098 279198853 /nfs/dbraw/zinc/19/88/53/279198853.db2.gz VSPRROIWWSVOGB-QGZVFWFLSA-N 1 3 320.481 2.319 20 0 DEADHO CCN(CCNC(=O)N[C@H](CCC[NH3+])c1ccccc1)C1CC1 ZINC000417429821 279201634 /nfs/dbraw/zinc/20/16/34/279201634.db2.gz NXBOEZBKWHWZAG-QGZVFWFLSA-N 1 3 318.465 2.250 20 0 DEADHO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357075376 279210618 /nfs/dbraw/zinc/21/06/18/279210618.db2.gz HJPBLQJRRYVNBH-HPFXQQBRSA-N 1 3 321.509 2.201 20 0 DEADHO CC(C)N(C(=O)CN1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000262003191 279278861 /nfs/dbraw/zinc/27/88/61/279278861.db2.gz VLQSVCLFCCSXNJ-INIZCTEOSA-N 1 3 303.450 2.489 20 0 DEADHO C[C@H](CNC(=O)NCCC[N@@H+]1CCCC[C@H]1C)N(C)C1CC1 ZINC000105088954 279334589 /nfs/dbraw/zinc/33/45/89/279334589.db2.gz WQOKJTIAHAUYNO-HUUCEWRRSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H](CNC(=O)NCCC[N@H+]1CCCC[C@H]1C)N(C)C1CC1 ZINC000105088954 279334590 /nfs/dbraw/zinc/33/45/90/279334590.db2.gz WQOKJTIAHAUYNO-HUUCEWRRSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H](Cc1c(Cl)cccc1Cl)NC[C@H]1C[NH2+]CCN1C ZINC000414976827 279377393 /nfs/dbraw/zinc/37/73/93/279377393.db2.gz ORSHZXCRVJQTOA-VXGBXAGGSA-N 1 3 316.276 2.418 20 0 DEADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2COCCO2)CC1 ZINC000449093960 279381238 /nfs/dbraw/zinc/38/12/38/279381238.db2.gz XQNJFDUBIWBSET-APWZRJJASA-N 1 3 318.461 2.087 20 0 DEADHO C[C@H]([NH3+])CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000417851395 279398044 /nfs/dbraw/zinc/39/80/44/279398044.db2.gz YMIOJUBDYXMHSD-UXLLHSPISA-N 1 3 318.465 2.076 20 0 DEADHO C[C@@H]1CN(CC2CC[NH+](CCCn3ccnc3)CC2)C[C@H](C)O1 ZINC000183171293 288152513 /nfs/dbraw/zinc/15/25/13/288152513.db2.gz DTYDNKARYXZMEM-CALCHBBNSA-N 1 3 320.481 2.094 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@H]1CCC[N@H+](C)C1)N1CCCCC1 ZINC000458175261 280171891 /nfs/dbraw/zinc/17/18/91/280171891.db2.gz SRSQQGDMQWJCCE-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@H]1CCC[N@@H+](C)C1)N1CCCCC1 ZINC000458175261 280171894 /nfs/dbraw/zinc/17/18/94/280171894.db2.gz SRSQQGDMQWJCCE-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000416804026 280279698 /nfs/dbraw/zinc/27/96/98/280279698.db2.gz JRMRZMYMIWBTFQ-SJORKVTESA-N 1 3 320.481 2.304 20 0 DEADHO Cc1cccc(C[C@H](CO)N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423058336 281219953 /nfs/dbraw/zinc/21/99/53/281219953.db2.gz JKICTSPWDFUWTM-YDZRNGNQSA-N 1 3 302.462 2.409 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)NC(C)(C)CCC[NH3+] ZINC000418649298 281458005 /nfs/dbraw/zinc/45/80/05/281458005.db2.gz JAZUZFYXTXURLW-HNNXBMFYSA-N 1 3 306.454 2.066 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(Cl)ccc1F ZINC000103211109 281651562 /nfs/dbraw/zinc/65/15/62/281651562.db2.gz WGUWNDVPMFOKEO-UHFFFAOYSA-N 1 3 315.820 2.045 20 0 DEADHO Cc1nc2c(s1)[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)CCC2 ZINC000442875883 282043589 /nfs/dbraw/zinc/04/35/89/282043589.db2.gz UNMNAAFASYHZKW-CQSZACIVSA-N 1 3 322.522 2.445 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H]([NH3+])C1CC1)N(C)C ZINC000418177599 292686165 /nfs/dbraw/zinc/68/61/65/292686165.db2.gz HYJAKHXYQUBVOH-COXVUDFISA-N 1 3 318.465 2.023 20 0 DEADHO C[NH+](C)C1(CNC(=O)NCCN2CCCC(C)(C)C2)CCCC1 ZINC000444891895 289050787 /nfs/dbraw/zinc/05/07/87/289050787.db2.gz ZPBMORRMLGCLJZ-UHFFFAOYSA-N 1 3 324.513 2.282 20 0 DEADHO CN1CC[C@@H]2CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]2C1 ZINC000353404643 289182918 /nfs/dbraw/zinc/18/29/18/289182918.db2.gz HSXIZECXJFWXJK-PMPSAXMXSA-N 1 3 324.513 2.088 20 0 DEADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCCN2CCCC(C)(C)C2)C1 ZINC000445106295 289379720 /nfs/dbraw/zinc/37/97/20/289379720.db2.gz FWOFATRUPVNECF-HOTGVXAUSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000416801877 289775648 /nfs/dbraw/zinc/77/56/48/289775648.db2.gz HCYGSLNATZBZSQ-XIRDDKMYSA-N 1 3 318.465 2.201 20 0 DEADHO CN1CCC(C[NH2+][C@@H]2CCC23CCCC3)(N2CCOCC2)CC1 ZINC000414204019 289879197 /nfs/dbraw/zinc/87/91/97/289879197.db2.gz VYXXROJYYASIFU-QGZVFWFLSA-N 1 3 321.509 2.095 20 0 DEADHO COC[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000422938371 293162757 /nfs/dbraw/zinc/16/27/57/293162757.db2.gz PMMNARMZUTTWND-SOLBZPMBSA-N 1 3 302.418 2.257 20 0 DEADHO COc1ccc([C@@H]2CCNC[C@@H]2[NH2+][C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000423338366 295224895 /nfs/dbraw/zinc/22/48/95/295224895.db2.gz RLCJHCGKFUVTFJ-JZGRTCEGSA-N 1 3 317.477 2.213 20 0 DEADHO COc1cccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)N)c1 ZINC000423008267 295289125 /nfs/dbraw/zinc/28/91/25/295289125.db2.gz ZQMBKJCHKDQMBU-RRQGHBQHSA-N 1 3 306.450 2.315 20 0 DEADHO COc1cccc(C(C)(C)CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])c1 ZINC000423008267 295289127 /nfs/dbraw/zinc/28/91/27/295289127.db2.gz ZQMBKJCHKDQMBU-RRQGHBQHSA-N 1 3 306.450 2.315 20 0 DEADHO [NH3+][C@H](C(=O)NC[C@H](c1cccs1)N1CCCC1)C1CCC1 ZINC000423303773 295328711 /nfs/dbraw/zinc/32/87/11/295328711.db2.gz JMNDRKQKVXBWEI-HIFRSBDPSA-N 1 3 307.463 2.129 20 0 DEADHO N[C@H](CC(F)F)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000345796910 295329777 /nfs/dbraw/zinc/32/97/77/295329777.db2.gz LMJKRPWLPRLUNU-ZIAGYGMSSA-N 1 3 317.424 2.084 20 0 DEADHO CN(C)C1(C(=O)NC[C@@]2(C)CCC[N@H+](CCCF)C2)CCC1 ZINC001423688145 1173491740 /nfs/dbraw/zinc/49/17/40/1173491740.db2.gz PJCNJNKKXQEHFF-MRXNPFEDSA-N 1 3 313.461 2.049 20 0 DEADHO CN(C)C1(C(=O)NC[C@@]2(C)CCC[N@@H+](CCCF)C2)CCC1 ZINC001423688145 1173491745 /nfs/dbraw/zinc/49/17/45/1173491745.db2.gz PJCNJNKKXQEHFF-MRXNPFEDSA-N 1 3 313.461 2.049 20 0 DEADHO C[C@H](C(=O)NC[C@H](C)[NH+]1CCC(C)CC1)N1CCCCCC1 ZINC000078724340 298161393 /nfs/dbraw/zinc/16/13/93/298161393.db2.gz LDJNCSLMJHPLGP-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCCCN(C)c1ccccc1 ZINC000422744413 298982209 /nfs/dbraw/zinc/98/22/09/298982209.db2.gz VZUJTZDFNWAMGG-SZMVWBNQSA-N 1 3 305.466 2.245 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H]2CCCCC[NH2+]2)N(C)C)cc1 ZINC000372485140 301796389 /nfs/dbraw/zinc/79/63/89/301796389.db2.gz POIJZGGQNQRVHD-SJORKVTESA-N 1 3 303.450 2.246 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC([NH3+])CC1)N(C)C ZINC000418179833 302203103 /nfs/dbraw/zinc/20/31/03/302203103.db2.gz JXBXCLOHXUJQSQ-YOEHRIQHSA-N 1 3 318.465 2.119 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)N(C)C ZINC000487374694 302206752 /nfs/dbraw/zinc/20/67/52/302206752.db2.gz GIYQLYWVFUYTFU-ATLSCFEFSA-N 1 3 317.477 2.300 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)N(C)C ZINC000487374694 302206753 /nfs/dbraw/zinc/20/67/53/302206753.db2.gz GIYQLYWVFUYTFU-ATLSCFEFSA-N 1 3 317.477 2.300 20 0 DEADHO O=C(C[C@@H]1CCC[NH2+]1)NC[C@H](c1cccs1)N1CCCC1 ZINC000163624010 303642266 /nfs/dbraw/zinc/64/22/66/303642266.db2.gz CHCFYRIRCLDNKK-UONOGXRCSA-N 1 3 307.463 2.143 20 0 DEADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000573320690 326044543 /nfs/dbraw/zinc/04/45/43/326044543.db2.gz FXZQNLYZGZBNKW-OFQRWUPVSA-N 1 3 321.490 2.074 20 0 DEADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](O)COc2c(C)cccc2C)C1 ZINC000573358794 326049401 /nfs/dbraw/zinc/04/94/01/326049401.db2.gz STDFIGWSVCJILF-ZWKOTPCHSA-N 1 3 320.477 2.365 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000573562152 326069433 /nfs/dbraw/zinc/06/94/33/326069433.db2.gz NVCHAOSKBYKRAI-LSDHHAIUSA-N 1 3 320.481 2.322 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000574032696 326116336 /nfs/dbraw/zinc/11/63/36/326116336.db2.gz PPDGYCLBDUPTHR-WMZOPIPTSA-N 1 3 308.441 2.439 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000574032696 326116339 /nfs/dbraw/zinc/11/63/39/326116339.db2.gz PPDGYCLBDUPTHR-WMZOPIPTSA-N 1 3 308.441 2.439 20 0 DEADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000574032696 326116341 /nfs/dbraw/zinc/11/63/41/326116341.db2.gz PPDGYCLBDUPTHR-WMZOPIPTSA-N 1 3 308.441 2.439 20 0 DEADHO O[C@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)Cc1cccc(Cl)c1 ZINC000575981558 326260551 /nfs/dbraw/zinc/26/05/51/326260551.db2.gz RJSPREDHXZKTOO-YOEHRIQHSA-N 1 3 308.853 2.317 20 0 DEADHO O[C@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)Cc1cccc(Cl)c1 ZINC000575981558 326260554 /nfs/dbraw/zinc/26/05/54/326260554.db2.gz RJSPREDHXZKTOO-YOEHRIQHSA-N 1 3 308.853 2.317 20 0 DEADHO O[C@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)Cc1cccc(Cl)c1 ZINC000575981558 326260557 /nfs/dbraw/zinc/26/05/57/326260557.db2.gz RJSPREDHXZKTOO-YOEHRIQHSA-N 1 3 308.853 2.317 20 0 DEADHO C[C@@H]1C[C@@H](NCc2ccncc2OCCC[NH+](C)C)C[C@H](C)O1 ZINC000576074123 326267677 /nfs/dbraw/zinc/26/76/77/326267677.db2.gz QHDCNYMYIVJNDB-SCAQPMJSSA-N 1 3 321.465 2.458 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000576090768 326268367 /nfs/dbraw/zinc/26/83/67/326268367.db2.gz JYLVBPCWKXUSCC-AWEZNQCLSA-N 1 3 316.449 2.389 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000576090768 326268369 /nfs/dbraw/zinc/26/83/69/326268369.db2.gz JYLVBPCWKXUSCC-AWEZNQCLSA-N 1 3 316.449 2.389 20 0 DEADHO CNC(=O)c1cccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000576805264 326319886 /nfs/dbraw/zinc/31/98/86/326319886.db2.gz INNBHTWQMNLZFW-RCCFBDPRSA-N 1 3 315.461 2.099 20 0 DEADHO C[NH+](C)CCc1ccc(CNC(=O)CN2CCC(C)(C)C2)cc1 ZINC000576955985 326332567 /nfs/dbraw/zinc/33/25/67/326332567.db2.gz UEGBYLXFYWVQNZ-UHFFFAOYSA-N 1 3 317.477 2.139 20 0 DEADHO C[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)CCN1Cc1ccccc1 ZINC000583417337 332395743 /nfs/dbraw/zinc/39/57/43/332395743.db2.gz ZCNQMYUTWKAOEO-FUHWJXTLSA-N 1 3 317.477 2.498 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1 ZINC000582605125 337112721 /nfs/dbraw/zinc/11/27/21/337112721.db2.gz BSNIQTVFGNLMPP-RBUKOAKNSA-N 1 3 323.440 2.315 20 0 DEADHO N[C@@H](CC(=O)NCC[NH2+]C1CCCCCC1)Cc1ccccc1 ZINC000582775271 337146186 /nfs/dbraw/zinc/14/61/86/337146186.db2.gz WREZULFQGOWHRT-QGZVFWFLSA-N 1 3 317.477 2.375 20 0 DEADHO CN(C)CCN1CCC([NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000582974999 337225033 /nfs/dbraw/zinc/22/50/33/337225033.db2.gz JMXQRYZISBIIFT-UHFFFAOYSA-N 1 3 300.450 2.284 20 0 DEADHO CCC[NH+]1CCN(c2ccccc2CN[C@H]2C[C@H]2OCC)CC1 ZINC000583122754 337244194 /nfs/dbraw/zinc/24/41/94/337244194.db2.gz VASUTWZDAQVWAI-PKOBYXMFSA-N 1 3 317.477 2.486 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[N@H+](C)C/C=C/Cl)C1 ZINC001376287361 1159316765 /nfs/dbraw/zinc/31/67/65/1159316765.db2.gz DZIOAOGFZDBNMH-PMGBHYCQSA-N 1 3 315.889 2.250 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[N@@H+](C)C/C=C/Cl)C1 ZINC001376287361 1159316774 /nfs/dbraw/zinc/31/67/74/1159316774.db2.gz DZIOAOGFZDBNMH-PMGBHYCQSA-N 1 3 315.889 2.250 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001398283407 1160843594 /nfs/dbraw/zinc/84/35/94/1160843594.db2.gz CPJKNBWSPCRKLC-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[N@@H+](C)[C@@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001378146955 1161055649 /nfs/dbraw/zinc/05/56/49/1161055649.db2.gz SFOCITAFMUOBJN-BBRMVZONSA-N 1 3 301.450 2.044 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415939788 533821749 /nfs/dbraw/zinc/82/17/49/533821749.db2.gz RHXPGSPHSAGKGS-AWEZNQCLSA-N 1 3 320.437 2.020 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000417531860 533826775 /nfs/dbraw/zinc/82/67/75/533826775.db2.gz JUKGFUIMAVLLMK-QXSJWSMHSA-N 1 3 310.486 2.066 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CCN1C ZINC000417754108 533931485 /nfs/dbraw/zinc/93/14/85/533931485.db2.gz PDRYNKSYRSFWQG-OIISXLGYSA-N 1 3 318.465 2.249 20 0 DEADHO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414732236 534067613 /nfs/dbraw/zinc/06/76/13/534067613.db2.gz IHENPJYRYRLGRT-ILXRZTDVSA-N 1 3 324.490 2.471 20 0 DEADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C)c(F)c1 ZINC001378838662 1152463545 /nfs/dbraw/zinc/46/35/45/1152463545.db2.gz ADLSWUHAPQQLCL-OAHLLOKOSA-N 1 3 323.456 2.412 20 0 DEADHO COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2CN)C1 ZINC000422852891 534150963 /nfs/dbraw/zinc/15/09/63/534150963.db2.gz ROBVXROJPCAKKC-OWCLPIDISA-N 1 3 303.450 2.239 20 0 DEADHO COc1ccccc1N1CC[C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422847850 534151064 /nfs/dbraw/zinc/15/10/64/534151064.db2.gz JBJBTENXKBTTHT-VPSFDDGASA-N 1 3 315.461 2.394 20 0 DEADHO C[C@H]([NH3+])C1CCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)CC1 ZINC000417793343 534172033 /nfs/dbraw/zinc/17/20/33/534172033.db2.gz ZXVVSQUFRMOFJO-XJKSGUPXSA-N 1 3 303.450 2.298 20 0 DEADHO C[C@@H]1CN(C(=O)c2ccc(Nc3ccncc3)cc2)C[C@@H](C)[NH2+]1 ZINC000429367279 534420608 /nfs/dbraw/zinc/42/06/08/534420608.db2.gz NGHGJFCLWZJEPN-ZIAGYGMSSA-N 1 3 310.401 2.070 20 0 DEADHO CCC[C@@H](N)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000246529552 520724445 /nfs/dbraw/zinc/72/44/45/520724445.db2.gz RTWXAFHWLNNHEB-ATLSCFEFSA-N 1 3 317.477 2.387 20 0 DEADHO CCC[C@@H](N)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000246529552 520724455 /nfs/dbraw/zinc/72/44/55/520724455.db2.gz RTWXAFHWLNNHEB-ATLSCFEFSA-N 1 3 317.477 2.387 20 0 DEADHO CC[N@H+](Cc1ccc(C(=O)NCCN(C)C2CC2)cc1)C1CC1 ZINC000338078232 521301980 /nfs/dbraw/zinc/30/19/80/521301980.db2.gz ADWKZCFGGAVMHM-UHFFFAOYSA-N 1 3 315.461 2.495 20 0 DEADHO CC[N@@H+](Cc1ccc(C(=O)NCCN(C)C2CC2)cc1)C1CC1 ZINC000338078232 521301985 /nfs/dbraw/zinc/30/19/85/521301985.db2.gz ADWKZCFGGAVMHM-UHFFFAOYSA-N 1 3 315.461 2.495 20 0 DEADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC1(SC)CCN(C)CC1 ZINC000359261398 521355160 /nfs/dbraw/zinc/35/51/60/521355160.db2.gz MWNIUMDJTOJEJT-ZDUSSCGKSA-N 1 3 315.527 2.097 20 0 DEADHO CCN1CCC(NC(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000339523437 521575741 /nfs/dbraw/zinc/57/57/41/521575741.db2.gz VBBQWMPUCJVYBA-UHFFFAOYSA-N 1 3 324.513 2.425 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@H]1CSCCN1Cc1ccccc1 ZINC000423076130 534712198 /nfs/dbraw/zinc/71/21/98/534712198.db2.gz QLTGFIOGCSVHFR-BBWFWOEESA-N 1 3 305.491 2.073 20 0 DEADHO CN1CCC(O)(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000337342454 523780081 /nfs/dbraw/zinc/78/00/81/523780081.db2.gz RIURLTGUWNODDA-DOTOQJQBSA-N 1 3 303.450 2.154 20 0 DEADHO Cc1cncc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000364792906 526191399 /nfs/dbraw/zinc/19/13/99/526191399.db2.gz SRUFBNJDZUKTNT-UHFFFAOYSA-N 1 3 316.493 2.240 20 0 DEADHO CC(=O)Nc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)N)cn1 ZINC000423088290 526987692 /nfs/dbraw/zinc/98/76/92/526987692.db2.gz PTTPUAUIYXSCKL-CXAGYDPISA-N 1 3 312.417 2.088 20 0 DEADHO CC(C)(C(=O)N1CCC[C@H](CC[NH3+])C1)[C@@H](N)c1ccccc1 ZINC000417814361 527506460 /nfs/dbraw/zinc/50/64/60/527506460.db2.gz APSUBSPWWWTHKV-ZBFHGGJFSA-N 1 3 303.450 2.300 20 0 DEADHO CC1(C)C[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)CO1 ZINC000417967264 527744537 /nfs/dbraw/zinc/74/45/37/527744537.db2.gz UZZAGDYRINHOAP-KRWDZBQOSA-N 1 3 318.461 2.300 20 0 DEADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)C1 ZINC000423001132 527987700 /nfs/dbraw/zinc/98/77/00/527987700.db2.gz WRPIVMSVQUWHFQ-MKXGPGLRSA-N 1 3 323.525 2.101 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)cc1 ZINC000417793189 528133750 /nfs/dbraw/zinc/13/37/50/528133750.db2.gz KEAWPIVMNMIHMV-COXVUDFISA-N 1 3 303.450 2.314 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)[C@H]2C[C@H](C)CC[NH2+]2)cc1 ZINC000417793191 528134545 /nfs/dbraw/zinc/13/45/45/528134545.db2.gz KEAWPIVMNMIHMV-XOKHGSTOSA-N 1 3 303.450 2.314 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)CC1(C[NH3+])CC1)c1ccsc1 ZINC000423342618 528236564 /nfs/dbraw/zinc/23/65/64/528236564.db2.gz ZBXPQMSJDMIOGS-AWEZNQCLSA-N 1 3 309.479 2.376 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)[C@H](N)C1CCC1)Cc1ccccc1 ZINC000423328002 528276863 /nfs/dbraw/zinc/27/68/63/528276863.db2.gz NOYNGIUKKVHPJS-ZWKOTPCHSA-N 1 3 317.477 2.183 20 0 DEADHO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000418424736 528299106 /nfs/dbraw/zinc/29/91/06/528299106.db2.gz IBJVKAZFJKPJQU-HNNXBMFYSA-N 1 3 310.486 2.020 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418242896 528315028 /nfs/dbraw/zinc/31/50/28/528315028.db2.gz VLHZUJRKDMKKTG-ULQDDVLXSA-N 1 3 324.513 2.314 20 0 DEADHO CCC[NH2+][C@@H](C)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000295774210 528534992 /nfs/dbraw/zinc/53/49/92/528534992.db2.gz QZEGKSBHIRKVBU-AWEZNQCLSA-N 1 3 309.429 2.104 20 0 DEADHO CCN(Cc1ccc(C(=O)N[C@@H]2CCC[NH2+]C2)cc1)C1CC1 ZINC000428129452 528774520 /nfs/dbraw/zinc/77/45/20/528774520.db2.gz OTBHVAJKMHCPCY-MRXNPFEDSA-N 1 3 301.434 2.153 20 0 DEADHO CCN(Cc1ccc(C(=O)NC[C@H]2CCC[NH2+]2)cc1)C1CC1 ZINC000429106835 528775793 /nfs/dbraw/zinc/77/57/93/528775793.db2.gz XQDQPYFOFVNHFB-MRXNPFEDSA-N 1 3 301.434 2.153 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC1CC[NH2+]CC1 ZINC000418303671 528779155 /nfs/dbraw/zinc/77/91/55/528779155.db2.gz DMTBTYIEPGUDAT-UHFFFAOYSA-N 1 3 318.465 2.032 20 0 DEADHO CCN(Cc1cccc(F)c1)C(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000443059689 528807478 /nfs/dbraw/zinc/80/74/78/528807478.db2.gz QDJQZSGHZFREIC-OAHLLOKOSA-N 1 3 321.440 2.235 20 0 DEADHO CCC([NH3+])(CC)CNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000418442688 528929895 /nfs/dbraw/zinc/92/98/95/528929895.db2.gz TYOMRDGZAFGLRI-UHFFFAOYSA-N 1 3 324.513 2.411 20 0 DEADHO CCN(C(=O)[C@@H](C)N1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000443058695 529034898 /nfs/dbraw/zinc/03/48/98/529034898.db2.gz LBTPPMPUBGHWGS-CVEARBPZSA-N 1 3 303.450 2.489 20 0 DEADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000448044431 529084619 /nfs/dbraw/zinc/08/46/19/529084619.db2.gz TXIZINYDFMFJKX-HZPDHXFCSA-N 1 3 324.513 2.138 20 0 DEADHO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000448044431 529084623 /nfs/dbraw/zinc/08/46/23/529084623.db2.gz TXIZINYDFMFJKX-HZPDHXFCSA-N 1 3 324.513 2.138 20 0 DEADHO CC1(C)C[C@@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CO1 ZINC000417824528 529139849 /nfs/dbraw/zinc/13/98/49/529139849.db2.gz ACLPJVWCMPFHFO-QGZVFWFLSA-N 1 3 318.461 2.300 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](N)c1ccccc1 ZINC000417709276 529272644 /nfs/dbraw/zinc/27/26/44/529272644.db2.gz WOKHGEMVUSQTQL-SJORKVTESA-N 1 3 318.465 2.250 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](N)c1ccccc1 ZINC000417709276 529272645 /nfs/dbraw/zinc/27/26/45/529272645.db2.gz WOKHGEMVUSQTQL-SJORKVTESA-N 1 3 318.465 2.250 20 0 DEADHO CC[C@H](CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+])Oc1ccccc1C ZINC000422918391 529369556 /nfs/dbraw/zinc/36/95/56/529369556.db2.gz HJAMHFNLDJZUDL-VVLHAWIVSA-N 1 3 306.450 2.494 20 0 DEADHO CC(C)(CNC(=O)C1CC[NH+](C2CC2)CC1)N1CCCCC1 ZINC000493631503 535095014 /nfs/dbraw/zinc/09/50/14/535095014.db2.gz CPIWLPFHTQMWIL-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)N1CCN(CCC[NH+]2CCC(OCC3CC3)CC2)CC1 ZINC000375594658 535199692 /nfs/dbraw/zinc/19/96/92/535199692.db2.gz BKJPHUHROOZZLR-UHFFFAOYSA-N 1 3 323.525 2.294 20 0 DEADHO CC1CCC(N(C)C(=O)CN2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000358515603 535260400 /nfs/dbraw/zinc/26/04/00/535260400.db2.gz ZPDKKWDKUHNNNG-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO CC[C@H](C)[C@@H](C)[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000249281544 535835157 /nfs/dbraw/zinc/83/51/57/535835157.db2.gz GSPUXTJQLNESNY-ZMSDIMECSA-N 1 3 305.466 2.430 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000371763388 536027146 /nfs/dbraw/zinc/02/71/46/536027146.db2.gz YLMAALMGHZYWQD-SJORKVTESA-N 1 3 301.434 2.105 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000371763388 536027149 /nfs/dbraw/zinc/02/71/49/536027149.db2.gz YLMAALMGHZYWQD-SJORKVTESA-N 1 3 301.434 2.105 20 0 DEADHO CO[C@@]1(C[NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)CCOC1 ZINC000359416172 536834376 /nfs/dbraw/zinc/83/43/76/536834376.db2.gz JBSYXXYCZOBETB-CRAIPNDOSA-N 1 3 322.449 2.083 20 0 DEADHO CC[C@H](C(=O)NC[C@H]([NH2+]CC1CC(F)(F)C1)C(C)C)N(C)C ZINC001378968012 1152511064 /nfs/dbraw/zinc/51/10/64/1152511064.db2.gz OXNOPIPNCTXPNQ-UONOGXRCSA-N 1 3 319.440 2.102 20 0 DEADHO C[C@@H]1[C@@H](NCCF)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001425874140 1174491908 /nfs/dbraw/zinc/49/19/08/1174491908.db2.gz HIEKAWNCPJGGAF-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO CCC(CC)C[NH2+]C1CC(N(C)C(=O)CN2CC[C@H](C)C2)C1 ZINC001426219458 1174655091 /nfs/dbraw/zinc/65/50/91/1174655091.db2.gz QBQBFCVGPPVBSK-OOHWJJMZSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(C)nc1C)N(C)C ZINC001368740679 1148630141 /nfs/dbraw/zinc/63/01/41/1148630141.db2.gz GBPGBJCKRKXSJC-GUYCJALGSA-N 1 3 320.481 2.023 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001368774967 1148649896 /nfs/dbraw/zinc/64/98/96/1148649896.db2.gz RDDGKKAJKOVDOL-HOCLYGCPSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC001379321763 1152608356 /nfs/dbraw/zinc/60/83/56/1152608356.db2.gz JENFGNVYVVMYHX-YJBOKZPZSA-N 1 3 317.477 2.451 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001381939137 1153281680 /nfs/dbraw/zinc/28/16/80/1153281680.db2.gz VYQSCDRIDSAGMR-ULQDDVLXSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001381939137 1153281686 /nfs/dbraw/zinc/28/16/86/1153281686.db2.gz VYQSCDRIDSAGMR-ULQDDVLXSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)CC[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC001382352441 1153433077 /nfs/dbraw/zinc/43/30/77/1153433077.db2.gz BYTFXVQGYVAMCT-INIZCTEOSA-N 1 3 309.498 2.343 20 0 DEADHO FC(F)(F)CN1CCC(C[NH2+][C@H]2CCNC23CCC3)CC1 ZINC000925646781 625499461 /nfs/dbraw/zinc/49/94/61/625499461.db2.gz WEJRYPJDCNLIQI-ZDUSSCGKSA-N 1 3 305.388 2.135 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@@H](C[NH2+]CC3CCCC3)C2)CCC1 ZINC001024017014 625543015 /nfs/dbraw/zinc/54/30/15/625543015.db2.gz RMYKBWVRYNMBQE-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CC1(C)[C@@H](N[C@H](CCO)Cc2ccccc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925661400 625565323 /nfs/dbraw/zinc/56/53/23/625565323.db2.gz DDJXPZWKKXDKSJ-BDXSIMOUSA-N 1 3 302.462 2.346 20 0 DEADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+][C@H](CCO)Cc1ccccc1 ZINC000925661400 625565331 /nfs/dbraw/zinc/56/53/31/625565331.db2.gz DDJXPZWKKXDKSJ-BDXSIMOUSA-N 1 3 302.462 2.346 20 0 DEADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(CC2=CCCCC2)C1 ZINC000969703007 622891138 /nfs/dbraw/zinc/89/11/38/622891138.db2.gz CPICBJGYOFCOLR-HDMKZQKVSA-N 1 3 319.493 2.264 20 0 DEADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(CC2=CCCCC2)C1 ZINC000969703007 622891142 /nfs/dbraw/zinc/89/11/42/622891142.db2.gz CPICBJGYOFCOLR-HDMKZQKVSA-N 1 3 319.493 2.264 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1 ZINC001020587887 622926212 /nfs/dbraw/zinc/92/62/12/622926212.db2.gz YQMZIDCUBJVBSW-XIRDDKMYSA-N 1 3 307.482 2.288 20 0 DEADHO Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)cs1 ZINC001020588851 622927082 /nfs/dbraw/zinc/92/70/82/622927082.db2.gz OHQMRSZOFVAYBF-RCBQFDQVSA-N 1 3 321.490 2.135 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC000969949703 623016054 /nfs/dbraw/zinc/01/60/54/623016054.db2.gz XFOCRXIXUOIPEI-SJLPKXTDSA-N 1 3 315.461 2.170 20 0 DEADHO CN1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccsc2)CC1(C)C ZINC000972859394 625635195 /nfs/dbraw/zinc/63/51/95/625635195.db2.gz IBNAGRORAASUFW-HUUCEWRRSA-N 1 3 321.490 2.169 20 0 DEADHO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccsc2)CC1(C)C ZINC000972859394 625635196 /nfs/dbraw/zinc/63/51/96/625635196.db2.gz IBNAGRORAASUFW-HUUCEWRRSA-N 1 3 321.490 2.169 20 0 DEADHO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccsc2)CC1(C)C ZINC000972859394 625635199 /nfs/dbraw/zinc/63/51/99/625635199.db2.gz IBNAGRORAASUFW-HUUCEWRRSA-N 1 3 321.490 2.169 20 0 DEADHO CC[NH2+]C[C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001024156099 625641538 /nfs/dbraw/zinc/64/15/38/625641538.db2.gz IDDNZGRTCVRUPH-PBHICJAKSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)C[NH2+][C@H]1C[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001021090172 623335252 /nfs/dbraw/zinc/33/52/52/623335252.db2.gz FPFBAMYWZKNPQJ-WKILWMFISA-N 1 3 303.450 2.255 20 0 DEADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)c1ccccc1 ZINC000970718419 623640058 /nfs/dbraw/zinc/64/00/58/623640058.db2.gz UNYSIMMQZNRFEV-NVXWUHKLSA-N 1 3 301.434 2.034 20 0 DEADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)c1cccc(F)c1 ZINC000970719653 623641825 /nfs/dbraw/zinc/64/18/25/623641825.db2.gz KGZNUKDGVSGVHM-WMLDXEAASA-N 1 3 319.424 2.173 20 0 DEADHO C[C@@H](NC(=O)c1ccccc1CN(C)C)C1C[NH+](CCCF)C1 ZINC000970928879 623797178 /nfs/dbraw/zinc/79/71/78/623797178.db2.gz NJWLQTIXFABEET-CQSZACIVSA-N 1 3 321.440 2.158 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CC2)C1 ZINC001024278673 625686459 /nfs/dbraw/zinc/68/64/59/625686459.db2.gz QNNFUSWEEKXFHJ-IRXDYDNUSA-N 1 3 307.482 2.099 20 0 DEADHO CC[NH2+]C[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001024276455 625685760 /nfs/dbraw/zinc/68/57/60/625685760.db2.gz HHQYIKGEVDDPBL-INIZCTEOSA-N 1 3 303.450 2.210 20 0 DEADHO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000926119497 623991602 /nfs/dbraw/zinc/99/16/02/623991602.db2.gz KQYDLEBNWKGSOV-WCVJEAGWSA-N 1 3 307.482 2.286 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCC2CCCC2)C1 ZINC000971200461 624068211 /nfs/dbraw/zinc/06/82/11/624068211.db2.gz GQDLUWMWBABTCI-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCC2CCCC2)C1 ZINC000971200461 624068213 /nfs/dbraw/zinc/06/82/13/624068213.db2.gz GQDLUWMWBABTCI-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO Cc1ccccc1C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000971202405 624068547 /nfs/dbraw/zinc/06/85/47/624068547.db2.gz WPESHPKMTXHGTA-ZWKOTPCHSA-N 1 3 315.461 2.122 20 0 DEADHO Cc1ccccc1C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000971202405 624068548 /nfs/dbraw/zinc/06/85/48/624068548.db2.gz WPESHPKMTXHGTA-ZWKOTPCHSA-N 1 3 315.461 2.122 20 0 DEADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1 ZINC000971204800 624069968 /nfs/dbraw/zinc/06/99/68/624069968.db2.gz OTMJGWRFJYJZLQ-MSOLQXFVSA-N 1 3 315.461 2.122 20 0 DEADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1 ZINC000971204800 624069971 /nfs/dbraw/zinc/06/99/71/624069971.db2.gz OTMJGWRFJYJZLQ-MSOLQXFVSA-N 1 3 315.461 2.122 20 0 DEADHO C[C@@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000050796792 624080444 /nfs/dbraw/zinc/08/04/44/624080444.db2.gz CJZBCHZJSWRZJY-AWEZNQCLSA-N 1 3 307.482 2.097 20 0 DEADHO Cn1nc2c(c1CN1CCC(CCC[NH+](C)C)CC1)CCC2 ZINC000892121855 624788923 /nfs/dbraw/zinc/78/89/23/624788923.db2.gz WBNFFSIXWAYXPG-UHFFFAOYSA-N 1 3 304.482 2.463 20 0 DEADHO COCC[N@H+](C)CCCC1CCN(c2ccncc2CO)CC1 ZINC000893056343 625083123 /nfs/dbraw/zinc/08/31/23/625083123.db2.gz MSSYMFMKXOAQAT-UHFFFAOYSA-N 1 3 321.465 2.149 20 0 DEADHO COCC[N@@H+](C)CCCC1CCN(c2ccncc2CO)CC1 ZINC000893056343 625083124 /nfs/dbraw/zinc/08/31/24/625083124.db2.gz MSSYMFMKXOAQAT-UHFFFAOYSA-N 1 3 321.465 2.149 20 0 DEADHO CC(C)CN1CCC([NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000892531975 625107855 /nfs/dbraw/zinc/10/78/55/625107855.db2.gz GNHHCDDXXCMIGW-HZPDHXFCSA-N 1 3 314.445 2.330 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC001023025027 625138241 /nfs/dbraw/zinc/13/82/41/625138241.db2.gz RGDQBOUGXGNQJB-UXLLHSPISA-N 1 3 324.428 2.185 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001007326712 625218924 /nfs/dbraw/zinc/21/89/24/625218924.db2.gz IUGRNLSCGJYAQD-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001007326712 625218927 /nfs/dbraw/zinc/21/89/27/625218927.db2.gz IUGRNLSCGJYAQD-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO FC(F)CN1CCC([NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925534030 625237682 /nfs/dbraw/zinc/23/76/82/625237682.db2.gz IPMMINCYUNFDNX-HZPDHXFCSA-N 1 3 315.452 2.474 20 0 DEADHO F[C@@H]1CC2(CC[C@H]1[NH2+]CCCN1CCCCC1)OCCO2 ZINC000892461837 625722726 /nfs/dbraw/zinc/72/27/26/625722726.db2.gz JUDQJZVAZKUOKA-HUUCEWRRSA-N 1 3 300.418 2.086 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CC1 ZINC001024470483 625800126 /nfs/dbraw/zinc/80/01/26/625800126.db2.gz ZWOMOZAFTKMBPJ-SJORKVTESA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CC1 ZINC001024470483 625800136 /nfs/dbraw/zinc/80/01/36/625800136.db2.gz ZWOMOZAFTKMBPJ-SJORKVTESA-N 1 3 307.482 2.242 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1)C1CCC1 ZINC000999365192 634575768 /nfs/dbraw/zinc/57/57/68/634575768.db2.gz PYDCBCNVQZMELM-QGZVFWFLSA-N 1 3 315.461 2.252 20 0 DEADHO Cc1cccc(C[NH2+]C2CC(N(C)C(=O)Cc3c[nH]cn3)C2)c1 ZINC000999469373 634602122 /nfs/dbraw/zinc/60/21/22/634602122.db2.gz LCCJRUVVPDPMRC-UHFFFAOYSA-N 1 3 312.417 2.040 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC000999488906 634618655 /nfs/dbraw/zinc/61/86/55/634618655.db2.gz HMDSNJZMVOGYDI-IAGOWNOFSA-N 1 3 321.440 2.247 20 0 DEADHO CCCN1CCC([NH2+]C[C@H](O)c2cc(OC)ccc2OC)CC1 ZINC000236778015 634669525 /nfs/dbraw/zinc/66/95/25/634669525.db2.gz GBAVEUQCJMIOKX-KRWDZBQOSA-N 1 3 322.449 2.201 20 0 DEADHO CCC1([NH+]2CCCC2)CCN(C(=O)N[C@@H]2CCN(C)[C@H]2C)CC1 ZINC000925346670 634772158 /nfs/dbraw/zinc/77/21/58/634772158.db2.gz UAVJCAQOPNGDFF-JKSUJKDBSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001000195956 634784479 /nfs/dbraw/zinc/78/44/79/634784479.db2.gz BMXYPEHJQBELHH-FUHWJXTLSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)(C(=O)N1C[C@H]([NH2+]CC2CC2)C(C)(C)C1)N1CCCC1 ZINC000996132820 633192006 /nfs/dbraw/zinc/19/20/06/633192006.db2.gz GLDQMXJYNZUPON-HNNXBMFYSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]([NH2+]CCC2CC2)C(C)(C)C1 ZINC000996300389 633232326 /nfs/dbraw/zinc/23/23/26/633232326.db2.gz LGAOOGQEOIYZHD-ZBFHGGJFSA-N 1 3 307.482 2.097 20 0 DEADHO CN(CC(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2)C1)C1CCC1 ZINC001026891521 633244437 /nfs/dbraw/zinc/24/44/37/633244437.db2.gz XHTZKIICGQQGFG-KRWDZBQOSA-N 1 3 315.461 2.109 20 0 DEADHO CN(CC(=O)N1CCC([NH2+]CC2CCCC2)CC1)C1CCC1 ZINC000996666318 633341528 /nfs/dbraw/zinc/34/15/28/633341528.db2.gz QGKWQEQVAIATTA-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2ccsc2)CC1)N(C)C ZINC000996711761 633365556 /nfs/dbraw/zinc/36/55/56/633365556.db2.gz LAIOMRPCIQHLKL-OAHLLOKOSA-N 1 3 309.479 2.169 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC001027063580 633385043 /nfs/dbraw/zinc/38/50/43/633385043.db2.gz NVYKXMKOTIZCSS-WMZOPIPTSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]CC3CC(C)(C)C3)CC2)C1 ZINC000997007839 633560199 /nfs/dbraw/zinc/56/01/99/633560199.db2.gz QUXXYMHGGQWWSZ-OAHLLOKOSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccccc2F)CC1)N(C)C ZINC000997011399 633561515 /nfs/dbraw/zinc/56/15/15/633561515.db2.gz ZBEUAJBZTSMUHC-KRWDZBQOSA-N 1 3 321.440 2.247 20 0 DEADHO Cc1cccc(C[NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)c1 ZINC000997040410 633563156 /nfs/dbraw/zinc/56/31/56/633563156.db2.gz GLRRVHGBANSPNL-UHFFFAOYSA-N 1 3 312.417 2.041 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2)C1)N(C)C ZINC001027462323 633829985 /nfs/dbraw/zinc/82/99/85/633829985.db2.gz WHRNFSSNGABCOE-QZTJIDSGSA-N 1 3 317.477 2.450 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2)C1)N(C)C ZINC001027462323 633829991 /nfs/dbraw/zinc/82/99/91/633829991.db2.gz WHRNFSSNGABCOE-QZTJIDSGSA-N 1 3 317.477 2.450 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H]([N@H+](C)CCC2CC2)C1)N(C)C ZINC001027562976 634150640 /nfs/dbraw/zinc/15/06/40/634150640.db2.gz CDVRUALJMZFGDS-DLBZAZTESA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CCC2CC2)C1)N(C)C ZINC001027562976 634150642 /nfs/dbraw/zinc/15/06/42/634150642.db2.gz CDVRUALJMZFGDS-DLBZAZTESA-N 1 3 309.498 2.296 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CC2CCC2)CC1 ZINC000998289463 634201689 /nfs/dbraw/zinc/20/16/89/634201689.db2.gz MHXQZIVEINYDOJ-GOSISDBHSA-N 1 3 321.509 2.489 20 0 DEADHO COCCCN1CCC([NH2+]Cc2cccc3c2OCC3)CC1 ZINC000921652952 634252499 /nfs/dbraw/zinc/25/24/99/634252499.db2.gz CWIBUICIHXNUQE-UHFFFAOYSA-N 1 3 304.434 2.212 20 0 DEADHO C([NH2+][C@@H]1CCNC[C@H]1C1CCCC1)[C@@H]1CC2(CO1)CCOCC2 ZINC000925735520 634253922 /nfs/dbraw/zinc/25/39/22/634253922.db2.gz VFZVXTSFFJEYGY-OKZBNKHCSA-N 1 3 322.493 2.330 20 0 DEADHO C(N[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@@H]1CC2(CO1)CCOCC2 ZINC000925735520 634253925 /nfs/dbraw/zinc/25/39/25/634253925.db2.gz VFZVXTSFFJEYGY-OKZBNKHCSA-N 1 3 322.493 2.330 20 0 DEADHO C([NH2+][C@H]1CCNC[C@H]1C1CCCC1)[C@H]1CC2(CO1)CCOCC2 ZINC000925735521 634254010 /nfs/dbraw/zinc/25/40/10/634254010.db2.gz VFZVXTSFFJEYGY-SQNIBIBYSA-N 1 3 322.493 2.330 20 0 DEADHO C(N[C@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@H]1CC2(CO1)CCOCC2 ZINC000925735521 634254013 /nfs/dbraw/zinc/25/40/13/634254013.db2.gz VFZVXTSFFJEYGY-SQNIBIBYSA-N 1 3 322.493 2.330 20 0 DEADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]CC2CCCCC2)C1 ZINC000998534689 634317464 /nfs/dbraw/zinc/31/74/64/634317464.db2.gz GSPKBAMATRYRKT-OFLPRAFFSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCC1 ZINC001027879618 634852928 /nfs/dbraw/zinc/85/29/28/634852928.db2.gz VOUOIPOMGLCFKG-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCC1 ZINC001027879618 634852931 /nfs/dbraw/zinc/85/29/31/634852931.db2.gz VOUOIPOMGLCFKG-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO CN(C)CC1(C[NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)CCCC1 ZINC000893589196 634887830 /nfs/dbraw/zinc/88/78/30/634887830.db2.gz ZNANICNDYFFGGV-LSDHHAIUSA-N 1 3 314.445 2.332 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC(C)C)C[C@H]2C1 ZINC000980233040 634908563 /nfs/dbraw/zinc/90/85/63/634908563.db2.gz RTKMUPPUXKSADG-BZUAXINKSA-N 1 3 318.465 2.133 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC(C)C)C[C@H]2C1 ZINC000980233040 634908566 /nfs/dbraw/zinc/90/85/66/634908566.db2.gz RTKMUPPUXKSADG-BZUAXINKSA-N 1 3 318.465 2.133 20 0 DEADHO C[N@H+](CC1CC2(CCC2)C1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980404464 634988668 /nfs/dbraw/zinc/98/86/68/634988668.db2.gz BEQZCMGTKWYZSI-KRWDZBQOSA-N 1 3 319.493 2.195 20 0 DEADHO C[N@@H+](CC1CC2(CCC2)C1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980404464 634988671 /nfs/dbraw/zinc/98/86/71/634988671.db2.gz BEQZCMGTKWYZSI-KRWDZBQOSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc2c(c1)CCC(=O)N2 ZINC000925781273 635142744 /nfs/dbraw/zinc/14/27/44/635142744.db2.gz XUXBSIGPKGTYJA-BXUZGUMPSA-N 1 3 323.387 2.467 20 0 DEADHO [NH3+]CCc1ccccc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309981581 635715555 /nfs/dbraw/zinc/71/55/55/635715555.db2.gz PYJMSAYQZSKKHX-GOSISDBHSA-N 1 3 323.440 2.192 20 0 DEADHO CC(C)C[N@@H+]1CCCC2(CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000982161270 635892971 /nfs/dbraw/zinc/89/29/71/635892971.db2.gz MHWCQZRQIYWONW-CALCHBBNSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)C[N@H+]1CCCC2(CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000982161270 635892974 /nfs/dbraw/zinc/89/29/74/635892974.db2.gz MHWCQZRQIYWONW-CALCHBBNSA-N 1 3 321.509 2.440 20 0 DEADHO CCC(CC)C[NH+]1CCC(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001003631852 636007979 /nfs/dbraw/zinc/00/79/79/636007979.db2.gz WAXNNXURUZWQCD-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982557163 636264323 /nfs/dbraw/zinc/26/43/23/636264323.db2.gz MLRJJSIQDYEPOJ-QRQLOZEOSA-N 1 3 321.509 2.299 20 0 DEADHO CCCC[N@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982557163 636264328 /nfs/dbraw/zinc/26/43/28/636264328.db2.gz MLRJJSIQDYEPOJ-QRQLOZEOSA-N 1 3 321.509 2.299 20 0 DEADHO CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982557164 636264529 /nfs/dbraw/zinc/26/45/29/636264529.db2.gz MLRJJSIQDYEPOJ-YTQUADARSA-N 1 3 321.509 2.299 20 0 DEADHO CCCC[N@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982557164 636264531 /nfs/dbraw/zinc/26/45/31/636264531.db2.gz MLRJJSIQDYEPOJ-YTQUADARSA-N 1 3 321.509 2.299 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001028579893 636372968 /nfs/dbraw/zinc/37/29/68/636372968.db2.gz KXBJPIMDDMGRFO-DLBZAZTESA-N 1 3 307.482 2.099 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001028579893 636372970 /nfs/dbraw/zinc/37/29/70/636372970.db2.gz KXBJPIMDDMGRFO-DLBZAZTESA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001004372991 636399873 /nfs/dbraw/zinc/39/98/73/636399873.db2.gz TZTFDFGYRPADLP-MSOLQXFVSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001004372991 636399876 /nfs/dbraw/zinc/39/98/76/636399876.db2.gz TZTFDFGYRPADLP-MSOLQXFVSA-N 1 3 321.509 2.440 20 0 DEADHO CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001004547419 636484704 /nfs/dbraw/zinc/48/47/04/636484704.db2.gz MUZKSAUVVVYPAM-WBVHZDCISA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001004547419 636484707 /nfs/dbraw/zinc/48/47/07/636484707.db2.gz MUZKSAUVVVYPAM-WBVHZDCISA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Cl)cc1F ZINC000186863368 636576102 /nfs/dbraw/zinc/57/61/02/636576102.db2.gz SWXMGEJJERSFRN-ZDUSSCGKSA-N 1 3 312.820 2.368 20 0 DEADHO COC(=O)c1cc(C[NH2+]C[C@@H]2CCCN(C)C2)[nH]c1C(C)C ZINC000894254217 636576169 /nfs/dbraw/zinc/57/61/69/636576169.db2.gz LUNHWRMDNRHWHI-ZDUSSCGKSA-N 1 3 307.438 2.356 20 0 DEADHO CC(C)[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779223 636646289 /nfs/dbraw/zinc/64/62/89/636646289.db2.gz KDEATWOMDSKRBM-ZACQAIPSSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779223 636646291 /nfs/dbraw/zinc/64/62/91/636646291.db2.gz KDEATWOMDSKRBM-ZACQAIPSSA-N 1 3 307.482 2.050 20 0 DEADHO Cc1nn(C(C)C)c(C)c1CN(C)CCC[N@H+](C)CCN(C)C ZINC000894523033 637088277 /nfs/dbraw/zinc/08/82/77/637088277.db2.gz AONVBZJHFKJVHK-UHFFFAOYSA-N 1 3 323.529 2.396 20 0 DEADHO Cc1nn(C(C)C)c(C)c1CN(C)CCC[N@@H+](C)CCN(C)C ZINC000894523033 637088280 /nfs/dbraw/zinc/08/82/80/637088280.db2.gz AONVBZJHFKJVHK-UHFFFAOYSA-N 1 3 323.529 2.396 20 0 DEADHO C[C@@](C[NH3+])(NC[C@H](O)Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000923295659 637096904 /nfs/dbraw/zinc/09/69/04/637096904.db2.gz DFBLZKSMASJWEE-CABCVRRESA-N 1 3 316.367 2.326 20 0 DEADHO COC(=O)c1ccc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)cc1C ZINC000894593455 637125817 /nfs/dbraw/zinc/12/58/17/637125817.db2.gz LSZAYWJPCARQBX-GOSISDBHSA-N 1 3 302.418 2.309 20 0 DEADHO COC(=O)c1ccc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)cc1C ZINC000894593455 637125823 /nfs/dbraw/zinc/12/58/23/637125823.db2.gz LSZAYWJPCARQBX-GOSISDBHSA-N 1 3 302.418 2.309 20 0 DEADHO CC(C)(C)[C@H](C[NH3+])NC[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000923366985 637138867 /nfs/dbraw/zinc/13/88/67/637138867.db2.gz CFKGFQZYVADYRK-SZMVWBNQSA-N 1 3 320.477 2.405 20 0 DEADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000923423216 637170065 /nfs/dbraw/zinc/17/00/65/637170065.db2.gz WCTLOIGSFWXXOB-OWLYRPNTSA-N 1 3 318.461 2.157 20 0 DEADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000923423216 637170068 /nfs/dbraw/zinc/17/00/68/637170068.db2.gz WCTLOIGSFWXXOB-OWLYRPNTSA-N 1 3 318.461 2.157 20 0 DEADHO CSc1ccc(NC(=O)[C@@H](C)N2CC[C@@H](CC[NH3+])C2)cc1 ZINC000923484883 637205537 /nfs/dbraw/zinc/20/55/37/637205537.db2.gz CGLJJNATKSJJDR-CHWSQXEVSA-N 1 3 307.463 2.406 20 0 DEADHO CSc1ccc(NC(=O)[C@H](C)N2CC[C@H](CC[NH3+])C2)cc1 ZINC000923484886 637205824 /nfs/dbraw/zinc/20/58/24/637205824.db2.gz CGLJJNATKSJJDR-STQMWFEESA-N 1 3 307.463 2.406 20 0 DEADHO CCC[C@H](NC(=O)CN1CC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000923490824 637209841 /nfs/dbraw/zinc/20/98/41/637209841.db2.gz VWHMDDZHECRACT-RDJZCZTQSA-N 1 3 303.450 2.315 20 0 DEADHO C[C@@H]1CN([C@H]2CCCN(c3ccccc3)C2=O)CC[C@H]1C[NH3+] ZINC000923497888 637215368 /nfs/dbraw/zinc/21/53/68/637215368.db2.gz NDLILLYYUMPEJK-VYDXJSESSA-N 1 3 301.434 2.099 20 0 DEADHO C[C@H]1CN(CC(=O)NCCCC2CCCCC2)CC[C@@H]1C[NH3+] ZINC000923498941 637216286 /nfs/dbraw/zinc/21/62/86/637216286.db2.gz RCRMUVVJKOREKQ-DOTOQJQBSA-N 1 3 309.498 2.380 20 0 DEADHO CC(C)N(C(=O)CN1CC[C@H](C[NH3+])[C@H](C)C1)c1ccccc1 ZINC000923508576 637221896 /nfs/dbraw/zinc/22/18/96/637221896.db2.gz NPHHDABMZFBLSZ-HZPDHXFCSA-N 1 3 303.450 2.345 20 0 DEADHO C[N@@H+]1CCC[C@H](CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000838150621 637472580 /nfs/dbraw/zinc/47/25/80/637472580.db2.gz VGICNNPBGHEYTI-RHSMWYFYSA-N 1 3 313.461 2.047 20 0 DEADHO C[N@H+]1CCC[C@H](CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000838150621 637472585 /nfs/dbraw/zinc/47/25/85/637472585.db2.gz VGICNNPBGHEYTI-RHSMWYFYSA-N 1 3 313.461 2.047 20 0 DEADHO COC(=O)[C@H]1[C@H](CN(C)CCCC[NH+]2CCCCC2)C1(F)F ZINC000895683450 638149378 /nfs/dbraw/zinc/14/93/78/638149378.db2.gz LQSWZSFADXXBFU-UONOGXRCSA-N 1 3 318.408 2.239 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H](NC[C@H]2CCCC[NH2+]2)C1 ZINC000841033608 650410348 /nfs/dbraw/zinc/41/03/48/650410348.db2.gz XGICVJFWKHHAOY-JHJVBQTASA-N 1 3 304.381 2.085 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@H]1NC1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000841059031 650417877 /nfs/dbraw/zinc/41/78/77/650417877.db2.gz JVQKAXSNTSOXJK-DNVCBOLYSA-N 1 3 316.493 2.309 20 0 DEADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000896202300 638413750 /nfs/dbraw/zinc/41/37/50/638413750.db2.gz GSGXYXILFYRNGQ-LPMVOBIJSA-N 1 3 322.497 2.127 20 0 DEADHO C[C@H]1CNCC[C@H]1[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000841063424 650419645 /nfs/dbraw/zinc/41/96/45/650419645.db2.gz JBLPAFMYWPUZEF-HNAYVOBHSA-N 1 3 316.493 2.309 20 0 DEADHO COc1ccc([C@@H](NC(C)C)C(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000896708414 638649262 /nfs/dbraw/zinc/64/92/62/638649262.db2.gz RMZSDBOXMZWCCS-WMLDXEAASA-N 1 3 321.465 2.191 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CC3CC(C)(C)C3)C2)C1 ZINC000984802448 638695206 /nfs/dbraw/zinc/69/52/06/638695206.db2.gz AFDFLEHVHDIFNF-ZOBUZTSGSA-N 1 3 321.509 2.249 20 0 DEADHO N[C@@H](CC1CCCCC1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000262557440 639485886 /nfs/dbraw/zinc/48/58/86/639485886.db2.gz UNHZYFMGNDJUMY-SJORKVTESA-N 1 3 307.482 2.371 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccsc2)C1)N(C)C ZINC001029843375 639540339 /nfs/dbraw/zinc/54/03/39/639540339.db2.gz ITAJEIGBAOARRU-HOCLYGCPSA-N 1 3 323.506 2.369 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccsc2)C1)N(C)C ZINC001029843375 639540344 /nfs/dbraw/zinc/54/03/44/639540344.db2.gz ITAJEIGBAOARRU-HOCLYGCPSA-N 1 3 323.506 2.369 20 0 DEADHO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000925204814 639584306 /nfs/dbraw/zinc/58/43/06/639584306.db2.gz GYAPVDFQVOHCAA-ZBFHGGJFSA-N 1 3 307.482 2.430 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CCC2)C1 ZINC001029910612 639766830 /nfs/dbraw/zinc/76/68/30/639766830.db2.gz SNLKIBAJMDESCW-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CCC2)C1 ZINC001029910612 639766833 /nfs/dbraw/zinc/76/68/33/639766833.db2.gz SNLKIBAJMDESCW-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1[C@H]([NH2+]Cc2ccccc2)CCN1C(=O)CN(C)C1CCC1 ZINC000986358228 639886055 /nfs/dbraw/zinc/88/60/55/639886055.db2.gz XKJQFXIROZMWHF-MAUKXSAKSA-N 1 3 315.461 2.250 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CC2CCCCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987060631 640070713 /nfs/dbraw/zinc/07/07/13/640070713.db2.gz VVFLZAIIDAMWLA-BBRMVZONSA-N 1 3 304.438 2.112 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987064896 640071595 /nfs/dbraw/zinc/07/15/95/640071595.db2.gz GKUBAZWKJPNAJJ-BBRMVZONSA-N 1 3 316.449 2.112 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CC2=CCCCC2)CCN1C(=O)CN1CCCC1 ZINC000987522161 640213441 /nfs/dbraw/zinc/21/34/41/640213441.db2.gz FVPHYYBHSQSGDH-RDJZCZTQSA-N 1 3 305.466 2.162 20 0 DEADHO CCC[C@@H]1CNCCN1C(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000841849280 650578488 /nfs/dbraw/zinc/57/84/88/650578488.db2.gz GMKSLCOYOJCGDA-ZIAGYGMSSA-N 1 3 324.856 2.034 20 0 DEADHO CCC([NH3+])(CC)CNC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000841849042 650578552 /nfs/dbraw/zinc/57/85/52/650578552.db2.gz MZLPJHSTOOCHBY-LBPRGKRZSA-N 1 3 312.845 2.067 20 0 DEADHO CN1c2ccc(CN[C@@H]3CCCC[C@H]3C[NH3+])cc2CCC1=O ZINC000841027647 640840198 /nfs/dbraw/zinc/84/01/98/640840198.db2.gz DPURAPALYORWCN-JKSUJKDBSA-N 1 3 301.434 2.203 20 0 DEADHO COCOc1ccc(OC)cc1C[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000766473438 640886440 /nfs/dbraw/zinc/88/64/40/640886440.db2.gz IMRWEQBTUHXKHK-ZFWWWQNUSA-N 1 3 308.422 2.250 20 0 DEADHO COc1ccc(CNCc2ccc(CC[NH3+])cc2)cc1OC ZINC000841035978 640914076 /nfs/dbraw/zinc/91/40/76/640914076.db2.gz MIBCDBZRHYPKHN-UHFFFAOYSA-N 1 3 300.402 2.495 20 0 DEADHO COC(=O)C[C@H](Cc1ccccc1)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000898302862 641094256 /nfs/dbraw/zinc/09/42/56/641094256.db2.gz IQBHYKGFWWQLJW-XIRDDKMYSA-N 1 3 304.434 2.233 20 0 DEADHO COC(=O)C[C@H](Cc1ccccc1)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000898302862 641094260 /nfs/dbraw/zinc/09/42/60/641094260.db2.gz IQBHYKGFWWQLJW-XIRDDKMYSA-N 1 3 304.434 2.233 20 0 DEADHO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)cc1 ZINC000989800943 641229657 /nfs/dbraw/zinc/22/96/57/641229657.db2.gz WDLHACKRLXILAX-FUHWJXTLSA-N 1 3 315.461 2.170 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)CN1C(=O)CN1CCCC1 ZINC000989800854 641229949 /nfs/dbraw/zinc/22/99/49/641229949.db2.gz WCVOXRLCMYNIEK-DOTOQJQBSA-N 1 3 305.466 2.162 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CCC2CCCC2)CN1C(=O)CN1CCCC1 ZINC000989795781 641234651 /nfs/dbraw/zinc/23/46/51/641234651.db2.gz BMKIZKKRYFDKIK-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO CCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000989827143 641249265 /nfs/dbraw/zinc/24/92/65/641249265.db2.gz YZWDAIFVPCBJNY-YOEHRIQHSA-N 1 3 303.450 2.351 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC000990245353 641410657 /nfs/dbraw/zinc/41/06/57/641410657.db2.gz VBNUBEMPKLYAQT-QGZVFWFLSA-N 1 3 319.424 2.001 20 0 DEADHO COCCN(C)CCC[NH2+][C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000924655499 641547915 /nfs/dbraw/zinc/54/79/15/641547915.db2.gz KHIQOWAXWBAXOD-HKUYNNGSSA-N 1 3 319.493 2.207 20 0 DEADHO CSC1CC([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000924722454 641631666 /nfs/dbraw/zinc/63/16/66/641631666.db2.gz MIXKUFWVLBYSGD-UHFFFAOYSA-N 1 3 319.518 2.418 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])c1 ZINC000900486891 642384625 /nfs/dbraw/zinc/38/46/25/642384625.db2.gz UCEOJBSYJVTXSX-WMLDXEAASA-N 1 3 302.422 2.093 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900695924 642440235 /nfs/dbraw/zinc/44/02/35/642440235.db2.gz TXSNHJVXZQWQBT-OAHLLOKOSA-N 1 3 300.406 2.115 20 0 DEADHO C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900695924 642440240 /nfs/dbraw/zinc/44/02/40/642440240.db2.gz TXSNHJVXZQWQBT-OAHLLOKOSA-N 1 3 300.406 2.115 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000900708032 642448374 /nfs/dbraw/zinc/44/83/74/642448374.db2.gz GUUBQFKPCCTULS-HUUCEWRRSA-N 1 3 304.438 2.065 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000900708032 642448377 /nfs/dbraw/zinc/44/83/77/642448377.db2.gz GUUBQFKPCCTULS-HUUCEWRRSA-N 1 3 304.438 2.065 20 0 DEADHO CCOCOc1ccc(CNC2CC[NH+](CCOC)CC2)cc1 ZINC000782951697 642944348 /nfs/dbraw/zinc/94/43/48/642944348.db2.gz CNDGGMDXQYSQQC-UHFFFAOYSA-N 1 3 322.449 2.260 20 0 DEADHO CC1(C)C[NH2+]CC[C@@H](NCCCS(=O)(=O)c2ccccc2)C1 ZINC000902318334 642989319 /nfs/dbraw/zinc/98/93/19/642989319.db2.gz HDKCLOVCEYOCCK-OAHLLOKOSA-N 1 3 324.490 2.218 20 0 DEADHO Cn1c(=O)ccc2c1CCC[C@@H]2N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902392097 643028157 /nfs/dbraw/zinc/02/81/57/643028157.db2.gz KEITVHZQMJWDID-HIFRSBDPSA-N 1 3 303.450 2.131 20 0 DEADHO O=C1Nc2ccccc2C12CCC([NH2+][C@@H]1C[C@H]3CC[C@@H]1N3)CC2 ZINC000902473094 643041221 /nfs/dbraw/zinc/04/12/21/643041221.db2.gz QRFKUZAEOWBIPF-MRROESCDSA-N 1 3 311.429 2.302 20 0 DEADHO c1ccc(CN2CCC(NC[C@@H]3CCCCC[NH2+]3)CC2)nc1 ZINC000902484973 643057089 /nfs/dbraw/zinc/05/70/89/643057089.db2.gz XRFMTZSZCGMNHK-KRWDZBQOSA-N 1 3 302.466 2.168 20 0 DEADHO CC(C)(CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C(=O)N1CCCC1 ZINC000903206109 643287796 /nfs/dbraw/zinc/28/77/96/643287796.db2.gz HGZHATXBTGGGNH-ZXFUBFMLSA-N 1 3 319.493 2.382 20 0 DEADHO CC(C)(CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(=O)N1CCCC1 ZINC000903206109 643287799 /nfs/dbraw/zinc/28/77/99/643287799.db2.gz HGZHATXBTGGGNH-ZXFUBFMLSA-N 1 3 319.493 2.382 20 0 DEADHO O[C@H]1C[C@](CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)(c2ccccc2)C1 ZINC000903275828 643307121 /nfs/dbraw/zinc/30/71/21/643307121.db2.gz DEJZTTXWKNCQEL-RDGPPVDQSA-N 1 3 300.446 2.296 20 0 DEADHO O[C@H]1C[C@](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)(c2ccccc2)C1 ZINC000903275828 643307123 /nfs/dbraw/zinc/30/71/23/643307123.db2.gz DEJZTTXWKNCQEL-RDGPPVDQSA-N 1 3 300.446 2.296 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H]1CN(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000903434294 643348098 /nfs/dbraw/zinc/34/80/98/643348098.db2.gz ANMLZLXWTMSDKM-WBVHZDCISA-N 1 3 315.461 2.079 20 0 DEADHO FC(F)(F)SCCN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903505430 643366898 /nfs/dbraw/zinc/36/68/98/643366898.db2.gz BESVAWFFUKXRDY-BETUJISGSA-N 1 3 323.428 2.140 20 0 DEADHO CC[C@](C)(NC[C@@H]1C[C@]2(CC[NH2+]C2)CO1)c1nc(C)cs1 ZINC000903740125 643450548 /nfs/dbraw/zinc/45/05/48/643450548.db2.gz DWHWTBPMEDUBGZ-BPUTZDHNSA-N 1 3 309.479 2.435 20 0 DEADHO c1cc([C@@H]2CCCN2C[C@@H]2CC3(CO2)CC[NH2+]CC3)ccn1 ZINC000903753969 643450636 /nfs/dbraw/zinc/45/06/36/643450636.db2.gz ZMGMRDMGGXHVPA-IRXDYDNUSA-N 1 3 301.434 2.377 20 0 DEADHO c1cc(CN2CCCC[C@H]2C2OCCO2)c2c(c1)C[NH2+]CC2 ZINC000903888680 643490139 /nfs/dbraw/zinc/49/01/39/643490139.db2.gz IYUXNFVYIPCHPQ-KRWDZBQOSA-N 1 3 302.418 2.060 20 0 DEADHO CC(C)([NH3+])CCNCc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000903939184 643509281 /nfs/dbraw/zinc/50/92/81/643509281.db2.gz SYUBGCVYKPHQMI-UHFFFAOYSA-N 1 3 316.405 2.065 20 0 DEADHO Cc1c(C[C@@H](C[NH3+])CN2CCC(C3CCC3)CC2)cnn1C ZINC000903932290 643514117 /nfs/dbraw/zinc/51/41/17/643514117.db2.gz AFWYNQWIFJLIRV-HNNXBMFYSA-N 1 3 304.482 2.358 20 0 DEADHO Cc1nn(C)c2nc(Cl)c(CN3C[C@@H](C)[C@H](CC[NH3+])C3)cc12 ZINC000903977373 643533305 /nfs/dbraw/zinc/53/33/05/643533305.db2.gz PUOCKIYOQMVOFP-ZYHUDNBSSA-N 1 3 321.856 2.347 20 0 DEADHO CCN(CC(=O)NCc1ccc(F)cc1)CC1CC[NH+](C)CC1 ZINC000788474724 643614381 /nfs/dbraw/zinc/61/43/81/643614381.db2.gz SYNMULQCEQXHPE-UHFFFAOYSA-N 1 3 321.440 2.106 20 0 DEADHO COC(=O)c1ccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1C ZINC000904301979 643630432 /nfs/dbraw/zinc/63/04/32/643630432.db2.gz QVGFRONNRXBONU-UAGQMJEPSA-N 1 3 302.418 2.341 20 0 DEADHO C[C@@]1(CN2C[C@@H]3COC[C@]3(c3ccccc3)C2)CCC[NH2+]C1 ZINC000904389244 643651745 /nfs/dbraw/zinc/65/17/45/643651745.db2.gz VJRSSWPJMWDRPF-QRVBRYPASA-N 1 3 300.446 2.276 20 0 DEADHO Cc1cc(CN2CCC3(CO[C@H](C[NH3+])C3)CC2)cnc1Cl ZINC000904392315 643652485 /nfs/dbraw/zinc/65/24/85/643652485.db2.gz PJTOZEOULADEFE-AWEZNQCLSA-N 1 3 309.841 2.373 20 0 DEADHO COCCC[NH+]1CCC(NC[C@@H](O)c2cccc(C)c2)CC1 ZINC000905088392 643780301 /nfs/dbraw/zinc/78/03/01/643780301.db2.gz IEEXTQGNZADWHG-GOSISDBHSA-N 1 3 306.450 2.119 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@@H](O)C[C@@H](O)c2ccccc2)C1 ZINC000905069418 643787237 /nfs/dbraw/zinc/78/72/37/643787237.db2.gz CWSGOMSOPMSWJV-NZSAHSFTSA-N 1 3 320.477 2.181 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC[C@@H](O)C[C@@H](O)c2ccccc2)C1 ZINC000905069418 643787238 /nfs/dbraw/zinc/78/72/38/643787238.db2.gz CWSGOMSOPMSWJV-NZSAHSFTSA-N 1 3 320.477 2.181 20 0 DEADHO C[C@@](O)(C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C(F)F ZINC000905097910 643799606 /nfs/dbraw/zinc/79/96/06/643799606.db2.gz ONSRCDOWVJNRPP-DOTOQJQBSA-N 1 3 312.404 2.157 20 0 DEADHO Cc1cc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)n(C)n1 ZINC000793529689 644267897 /nfs/dbraw/zinc/26/78/97/644267897.db2.gz TXJVCGUBIXEVEJ-OWCLPIDISA-N 1 3 308.470 2.269 20 0 DEADHO Cc1ccc(N2CC[C@H](N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)C2=O)cc1 ZINC000843367119 650959189 /nfs/dbraw/zinc/95/91/89/650959189.db2.gz AGWZUHKFRUVTPZ-OWLYRPNTSA-N 1 3 313.445 2.160 20 0 DEADHO Cc1ccc(N2CC[C@H](N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)C2=O)cc1 ZINC000843367120 650959283 /nfs/dbraw/zinc/95/92/83/650959283.db2.gz AGWZUHKFRUVTPZ-RANZSIQMSA-N 1 3 313.445 2.160 20 0 DEADHO CC(C)(C)OC(=O)N1CCC[C@@H](CCN2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000801913199 645460436 /nfs/dbraw/zinc/46/04/36/645460436.db2.gz RUZUQJFUHNSKTB-HRCADAONSA-N 1 3 323.481 2.175 20 0 DEADHO CCC[NH+](CCC)CCCC(=O)N[C@]1(C)CN2CCC1CC2 ZINC000912380193 646040133 /nfs/dbraw/zinc/04/01/33/646040133.db2.gz QWMHAECGUOBQLW-GOSISDBHSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000912524874 646097379 /nfs/dbraw/zinc/09/73/79/646097379.db2.gz XXGRBWWQKFMXFC-ULQDDVLXSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000912524874 646097381 /nfs/dbraw/zinc/09/73/81/646097381.db2.gz XXGRBWWQKFMXFC-ULQDDVLXSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000812311340 646630466 /nfs/dbraw/zinc/63/04/66/646630466.db2.gz ZUSJTIREHPHSGJ-CJNGLKHVSA-N 1 3 301.450 2.044 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000812311340 646630468 /nfs/dbraw/zinc/63/04/68/646630468.db2.gz ZUSJTIREHPHSGJ-CJNGLKHVSA-N 1 3 301.450 2.044 20 0 DEADHO C[C@H](CN[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1)C[NH+](C)C ZINC000813877050 646817898 /nfs/dbraw/zinc/81/78/98/646817898.db2.gz JFVSVGSNTLKULY-AOIWGVFYSA-N 1 3 319.493 2.063 20 0 DEADHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1)CN(C)C ZINC000813877050 646817901 /nfs/dbraw/zinc/81/79/01/646817901.db2.gz JFVSVGSNTLKULY-AOIWGVFYSA-N 1 3 319.493 2.063 20 0 DEADHO COC[C@@H](CCC[NH3+])NCc1ccc(Br)cc1F ZINC000817891916 647372809 /nfs/dbraw/zinc/37/28/09/647372809.db2.gz PSZJMFQTSHCEFL-GFCCVEGCSA-N 1 3 319.218 2.432 20 0 DEADHO COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000817893186 647373539 /nfs/dbraw/zinc/37/35/39/647373539.db2.gz QKQBICUBJNLMRL-SJKOYZFVSA-N 1 3 315.417 2.242 20 0 DEADHO COc1ccc([C@H](C)[NH2+]C[C@@H](N)C2CC2)cc1Cn1cccn1 ZINC000817965974 647395861 /nfs/dbraw/zinc/39/58/61/647395861.db2.gz XYGJEXNGAWXELI-SUMWQHHRSA-N 1 3 314.433 2.328 20 0 DEADHO COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)N)cc1Cn1cccn1 ZINC000817978138 647398599 /nfs/dbraw/zinc/39/85/99/647398599.db2.gz WXXPLCNRGRGURY-MCIONIFRSA-N 1 3 302.422 2.326 20 0 DEADHO COCCC[NH+]1CCC(NC[C@H](O)c2cc(C)cc(C)c2)CC1 ZINC000819007052 647562229 /nfs/dbraw/zinc/56/22/29/647562229.db2.gz QWEYMWNFFMHTFO-IBGZPJMESA-N 1 3 320.477 2.427 20 0 DEADHO CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H]1C ZINC000994504710 647972953 /nfs/dbraw/zinc/97/29/53/647972953.db2.gz YBCRWNMDJSKPEK-YOEHRIQHSA-N 1 3 303.450 2.351 20 0 DEADHO CC[N@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H]1C ZINC000994504710 647972955 /nfs/dbraw/zinc/97/29/55/647972955.db2.gz YBCRWNMDJSKPEK-YOEHRIQHSA-N 1 3 303.450 2.351 20 0 DEADHO CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC000994504707 647973245 /nfs/dbraw/zinc/97/32/45/647973245.db2.gz YBCRWNMDJSKPEK-RHSMWYFYSA-N 1 3 303.450 2.351 20 0 DEADHO CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC000994504707 647973248 /nfs/dbraw/zinc/97/32/48/647973248.db2.gz YBCRWNMDJSKPEK-RHSMWYFYSA-N 1 3 303.450 2.351 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)CCN1C ZINC000921362323 648294000 /nfs/dbraw/zinc/29/40/00/648294000.db2.gz IYBIZAJWBZBIDG-VXLLPVPCSA-N 1 3 322.497 2.175 20 0 DEADHO CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H]2CCN(C)[C@@H]2C)CC1 ZINC000921362773 648294133 /nfs/dbraw/zinc/29/41/33/648294133.db2.gz ATRKKHXXKHFSBH-NVXWUHKLSA-N 1 3 324.513 2.136 20 0 DEADHO CCC[NH2+][C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC000939806242 648728588 /nfs/dbraw/zinc/72/85/88/648728588.db2.gz DVOYUTKSQGRYHN-RHSMWYFYSA-N 1 3 303.450 2.208 20 0 DEADHO [NH3+][C@H](CC(=O)NC[C@H](c1cccs1)N1CCCC1)C1CC1 ZINC000825796096 648812458 /nfs/dbraw/zinc/81/24/58/648812458.db2.gz VCHYHVXKQYQNDH-ZIAGYGMSSA-N 1 3 307.463 2.129 20 0 DEADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C[C@H]([NH3+])C1CC1 ZINC000831411781 649588615 /nfs/dbraw/zinc/58/86/15/649588615.db2.gz IPZOIDNTOCSCKN-INIZCTEOSA-N 1 3 323.868 2.358 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000834792000 649845739 /nfs/dbraw/zinc/84/57/39/649845739.db2.gz BQYLGWJTQWEPRW-WMTDPASSSA-N 1 3 307.482 2.382 20 0 DEADHO Clc1ccc(CN2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)cn1 ZINC000844221573 651095789 /nfs/dbraw/zinc/09/57/89/651095789.db2.gz GPFOAZYZRPJJKQ-HNNXBMFYSA-N 1 3 322.884 2.242 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@H]1CC[N@H+](C)C1 ZINC000854515116 651493075 /nfs/dbraw/zinc/49/30/75/651493075.db2.gz PRRVDUCVEGVHCG-YXJHDRRASA-N 1 3 313.445 2.081 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000854515116 651493078 /nfs/dbraw/zinc/49/30/78/651493078.db2.gz PRRVDUCVEGVHCG-YXJHDRRASA-N 1 3 313.445 2.081 20 0 DEADHO CCc1ccc(NC(=[NH2+])NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000848999700 651576479 /nfs/dbraw/zinc/57/64/79/651576479.db2.gz GQSFXAKKGOPVBA-CVEARBPZSA-N 1 3 302.422 2.048 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCc2ccccc2C1 ZINC000849009306 651580833 /nfs/dbraw/zinc/58/08/33/651580833.db2.gz UGFWCALBQAQCLK-MAUKXSAKSA-N 1 3 314.477 2.390 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000849044641 651593520 /nfs/dbraw/zinc/59/35/20/651593520.db2.gz AZFKEUYDCQLHCR-BFYDXBDKSA-N 1 3 304.413 2.222 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCc3cn[nH]c32)C[C@H](C)O1 ZINC000857860270 652189258 /nfs/dbraw/zinc/18/92/58/652189258.db2.gz TUQJDBAIUJOVEM-IJEWVQPXSA-N 1 3 306.454 2.266 20 0 DEADHO CN1CC[C@H]([NH2+]Cc2ccccc2N2CCOCC2)CC1(C)C ZINC000858113182 652257227 /nfs/dbraw/zinc/25/72/27/652257227.db2.gz OPLBFICNKMQYSH-KRWDZBQOSA-N 1 3 317.477 2.486 20 0 DEADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000854229782 652661846 /nfs/dbraw/zinc/66/18/46/652661846.db2.gz XFDZUVABMLAGLM-HNKHHVNMSA-N 1 3 310.388 2.349 20 0 DEADHO CC(C)CC[N@H+](C)C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001391358316 1156356117 /nfs/dbraw/zinc/35/61/17/1156356117.db2.gz UCTUXXKKIRURSN-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001391358316 1156356126 /nfs/dbraw/zinc/35/61/26/1156356126.db2.gz UCTUXXKKIRURSN-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001391359122 1156356608 /nfs/dbraw/zinc/35/66/08/1156356608.db2.gz ZIQGXSKGYRECFZ-SJORKVTESA-N 1 3 311.514 2.399 20 0 DEADHO CC(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001391359122 1156356615 /nfs/dbraw/zinc/35/66/15/1156356615.db2.gz ZIQGXSKGYRECFZ-SJORKVTESA-N 1 3 311.514 2.399 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001372683838 1156682536 /nfs/dbraw/zinc/68/25/36/1156682536.db2.gz RUGZXRALQJCMRR-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C[NH2+]CC1CCC1)CC(C)C ZINC001374366904 1157829183 /nfs/dbraw/zinc/82/91/83/1157829183.db2.gz WEEVUINOAYAYHN-OAHLLOKOSA-N 1 3 306.454 2.181 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)[C@H](C)C1 ZINC001393788795 1157983133 /nfs/dbraw/zinc/98/31/33/1157983133.db2.gz PRHXHCTZCMTZOL-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)[C@H](C)C1 ZINC001393788795 1157983140 /nfs/dbraw/zinc/98/31/40/1157983140.db2.gz PRHXHCTZCMTZOL-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)(C)CC[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001375337334 1158503696 /nfs/dbraw/zinc/50/36/96/1158503696.db2.gz SXLXGKSKSHNMES-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)(C)CC[N@H+]1CC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001375337334 1158503708 /nfs/dbraw/zinc/50/37/08/1158503708.db2.gz SXLXGKSKSHNMES-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](CNC(=O)c1cccn1C1CC[NH2+]CC1)N1CCCCC1 ZINC000390340095 685439900 /nfs/dbraw/zinc/43/99/00/685439900.db2.gz FZUIXQPLBOJMJW-OAHLLOKOSA-N 1 3 318.465 2.017 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CCN1C ZINC000928437550 693778553 /nfs/dbraw/zinc/77/85/53/693778553.db2.gz QXPOAGZJZMQPTP-NJAFHUGGSA-N 1 3 315.461 2.075 20 0 DEADHO CC[N@H+](CCNC(=O)Nc1ccc2c(c1)OCCNC2)C(C)C ZINC000859756434 685816183 /nfs/dbraw/zinc/81/61/83/685816183.db2.gz NHYKYEZXNLVLNG-UHFFFAOYSA-N 1 3 320.437 2.020 20 0 DEADHO CC[N@@H+](CCNC(=O)Nc1ccc2c(c1)OCCNC2)C(C)C ZINC000859756434 685816186 /nfs/dbraw/zinc/81/61/86/685816186.db2.gz NHYKYEZXNLVLNG-UHFFFAOYSA-N 1 3 320.437 2.020 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N(C)C[C@H](C)[NH3+])c1ccsc1 ZINC000861554303 686144351 /nfs/dbraw/zinc/14/43/51/686144351.db2.gz NZGGQOLKPRLART-GXTWGEPZSA-N 1 3 312.483 2.120 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@H](N[C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000863484915 686508827 /nfs/dbraw/zinc/50/88/27/686508827.db2.gz PYQWCZNNOCTHKA-FVCCEPFGSA-N 1 3 304.381 2.084 20 0 DEADHO CN1CC[NH+](CCCNCc2c(Cl)cncc2Cl)CC1 ZINC000865405849 687199585 /nfs/dbraw/zinc/19/95/85/687199585.db2.gz YQPAXPUXYJPCFT-UHFFFAOYSA-N 1 3 317.264 2.116 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]Cc2cn(C3CC3)cn2)C[C@H](C)O1 ZINC000865471107 687225260 /nfs/dbraw/zinc/22/52/60/687225260.db2.gz KPGZPJMQOWDRGY-GASCZTMLSA-N 1 3 306.454 2.197 20 0 DEADHO C[C@@H](C(=O)N[C@@H]1CC[N@H+](CCC2CC2)C1)N1CCCCCC1 ZINC001015795309 687425785 /nfs/dbraw/zinc/42/57/85/687425785.db2.gz OOHMDICGSHXNOD-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCC2CC2)C1)N1CCCCCC1 ZINC001015795309 687425789 /nfs/dbraw/zinc/42/57/89/687425789.db2.gz OOHMDICGSHXNOD-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@H](C(=O)N(C)c1ccc(C)cc1)N1CCC(C[NH3+])CC1 ZINC000866661956 687644230 /nfs/dbraw/zinc/64/42/30/687644230.db2.gz LVGRVQMDSZWHBP-QGZVFWFLSA-N 1 3 303.450 2.407 20 0 DEADHO CC(C)(C)[C@]1(CN)CC[N@H+](CCC(=O)Nc2cccnc2)C1 ZINC000866705806 687659492 /nfs/dbraw/zinc/65/94/92/687659492.db2.gz BVAIFMPXVPKPPT-KRWDZBQOSA-N 1 3 304.438 2.107 20 0 DEADHO CC(C)(C)[C@]1(CN)CC[N@@H+](CCC(=O)Nc2cccnc2)C1 ZINC000866705806 687659495 /nfs/dbraw/zinc/65/94/95/687659495.db2.gz BVAIFMPXVPKPPT-KRWDZBQOSA-N 1 3 304.438 2.107 20 0 DEADHO CC(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001016614486 687664790 /nfs/dbraw/zinc/66/47/90/687664790.db2.gz ORECRZDUUDPMGE-SJORKVTESA-N 1 3 321.509 2.486 20 0 DEADHO C[C@@H]([NH3+])[C@H](C)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000867997904 687869103 /nfs/dbraw/zinc/86/91/03/687869103.db2.gz MAJCKSNTZJCXGD-ZMSDIMECSA-N 1 3 303.450 2.141 20 0 DEADHO CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001017632761 687929248 /nfs/dbraw/zinc/92/92/48/687929248.db2.gz NCFOPGKNZHGFKA-YESZJQIVSA-N 1 3 307.482 2.336 20 0 DEADHO CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001017632761 687929250 /nfs/dbraw/zinc/92/92/50/687929250.db2.gz NCFOPGKNZHGFKA-YESZJQIVSA-N 1 3 307.482 2.336 20 0 DEADHO CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[C@H](C)C1 ZINC001017944433 688007874 /nfs/dbraw/zinc/00/78/74/688007874.db2.gz LAWBZJLVWJRHKX-RYQLBKOJSA-N 1 3 321.509 2.440 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[C@H](C)C1 ZINC001017944433 688007879 /nfs/dbraw/zinc/00/78/79/688007879.db2.gz LAWBZJLVWJRHKX-RYQLBKOJSA-N 1 3 321.509 2.440 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001018633980 688190333 /nfs/dbraw/zinc/19/03/33/688190333.db2.gz DMBKHYDYNWYNPN-DLBZAZTESA-N 1 3 319.493 2.242 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001018637133 688191538 /nfs/dbraw/zinc/19/15/38/688191538.db2.gz XKZLIBCPHNVXSE-IRXDYDNUSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cs1 ZINC001018963236 688263209 /nfs/dbraw/zinc/26/32/09/688263209.db2.gz FSKPOFKIGLUFOL-HNNXBMFYSA-N 1 3 321.490 2.231 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2C)C1)N(C)C ZINC001019032094 688273578 /nfs/dbraw/zinc/27/35/78/688273578.db2.gz FOZCSYRSEWKQGK-DLBZAZTESA-N 1 3 321.440 2.165 20 0 DEADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](NCc2ccccc2F)C1 ZINC001019380814 688343639 /nfs/dbraw/zinc/34/36/39/688343639.db2.gz NHPUPVUVAQQEOH-ZBFHGGJFSA-N 1 3 319.424 2.001 20 0 DEADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NCc2ccccc2F)C1 ZINC001019380814 688343641 /nfs/dbraw/zinc/34/36/41/688343641.db2.gz NHPUPVUVAQQEOH-ZBFHGGJFSA-N 1 3 319.424 2.001 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)N(C)C)cc1 ZINC000870854373 688668352 /nfs/dbraw/zinc/66/83/52/688668352.db2.gz YIWFQVCJTHKUSL-FGTMMUONSA-N 1 3 317.477 2.485 20 0 DEADHO C[C@H](NC(=O)c1cccc(CN2CCCC2)c1)C1CC[NH2+]CC1 ZINC000870986152 688703858 /nfs/dbraw/zinc/70/38/58/688703858.db2.gz GRGOVWKFIMLQLV-HNNXBMFYSA-N 1 3 315.461 2.400 20 0 DEADHO CC(C)(C)[C@]1(CN)CC[N@H+](C[C@@H]2CC3(CO2)CCOCC3)C1 ZINC000872144967 688935729 /nfs/dbraw/zinc/93/57/29/688935729.db2.gz JUBZQFDVVMUQIL-YJBOKZPZSA-N 1 3 310.482 2.269 20 0 DEADHO CC(C)(C)[C@]1(CN)CC[N@@H+](C[C@@H]2CC3(CO2)CCOCC3)C1 ZINC000872144967 688935731 /nfs/dbraw/zinc/93/57/31/688935731.db2.gz JUBZQFDVVMUQIL-YJBOKZPZSA-N 1 3 310.482 2.269 20 0 DEADHO CN(CCCCCC[NH3+])CC(=O)N(C)Cc1ccccc1F ZINC000872154941 688939321 /nfs/dbraw/zinc/93/93/21/688939321.db2.gz FYOAUHHWKKHQHN-UHFFFAOYSA-N 1 3 309.429 2.235 20 0 DEADHO Cc1c(-c2cc(CN(C)CCCCCC[NH3+])on2)cnn1C ZINC000872155739 688940457 /nfs/dbraw/zinc/94/04/57/688940457.db2.gz VMYNRJNSKSFJMB-UHFFFAOYSA-N 1 3 305.426 2.334 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCC1C[NH+](CCCC2CCC2)C1 ZINC001031666342 688976703 /nfs/dbraw/zinc/97/67/03/688976703.db2.gz NBZZGXMMQCAVTN-SFHVURJKSA-N 1 3 321.509 2.488 20 0 DEADHO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000872303538 688977846 /nfs/dbraw/zinc/97/78/46/688977846.db2.gz KKJIXQNBKJRDAO-GVDBMIGSSA-N 1 3 317.433 2.194 20 0 DEADHO CC(C)=CCN1CC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001032026329 689045092 /nfs/dbraw/zinc/04/50/92/689045092.db2.gz CEVUPOSCRHLMBL-QGZVFWFLSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)=CCN1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001032026329 689045096 /nfs/dbraw/zinc/04/50/96/689045096.db2.gz CEVUPOSCRHLMBL-QGZVFWFLSA-N 1 3 307.482 2.264 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CN(CCCF)C1 ZINC001032117727 689066024 /nfs/dbraw/zinc/06/60/24/689066024.db2.gz KFXYDXRCSONWIZ-MRXNPFEDSA-N 1 3 313.461 2.049 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC1CN(CCCF)C1 ZINC001032117727 689066027 /nfs/dbraw/zinc/06/60/27/689066027.db2.gz KFXYDXRCSONWIZ-MRXNPFEDSA-N 1 3 313.461 2.049 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC2C[NH+](CCC3CC3)C2)c1 ZINC001032207276 689083337 /nfs/dbraw/zinc/08/33/37/689083337.db2.gz KLOFMVVHNJMWDV-UHFFFAOYSA-N 1 3 315.461 2.210 20 0 DEADHO c1c(C[NH2+]CCc2cn3ccccc3n2)sc2c1CNCC2 ZINC000873211943 689185515 /nfs/dbraw/zinc/18/55/15/689185515.db2.gz UHZWPULECDAZKA-UHFFFAOYSA-N 1 3 312.442 2.374 20 0 DEADHO c1cnc2cccc(CN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)c2c1 ZINC000873284975 689202878 /nfs/dbraw/zinc/20/28/78/689202878.db2.gz WJYFWOLMJCFSGH-QXAKKESOSA-N 1 3 311.429 2.482 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)CC[NH2+]C(C)(C)C)N(C)C)cc1 ZINC000930909924 694269527 /nfs/dbraw/zinc/26/95/27/694269527.db2.gz HNDLKZHWKDWXKR-MRXNPFEDSA-N 1 3 305.466 2.492 20 0 DEADHO CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001032799697 689263785 /nfs/dbraw/zinc/26/37/85/689263785.db2.gz IIWSUGAGYUBFSG-ROUUACIJSA-N 1 3 315.461 2.447 20 0 DEADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000874840012 689512819 /nfs/dbraw/zinc/51/28/19/689512819.db2.gz ZATRGNLEECJPQA-CGTJXYLNSA-N 1 3 319.493 2.336 20 0 DEADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000874840012 689512822 /nfs/dbraw/zinc/51/28/22/689512822.db2.gz ZATRGNLEECJPQA-CGTJXYLNSA-N 1 3 319.493 2.336 20 0 DEADHO CC(C)=CCN1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033473994 689514672 /nfs/dbraw/zinc/51/46/72/689514672.db2.gz DNKOLUDLLISLKC-KRWDZBQOSA-N 1 3 307.482 2.217 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC2)CC1 ZINC001034659447 689921146 /nfs/dbraw/zinc/92/11/46/689921146.db2.gz UUKUZZSEMDXNOC-ULQDDVLXSA-N 1 3 307.482 2.288 20 0 DEADHO O=C1C[C@H](NC2CC[NH+](CC3CCCCC3)CC2)CCCN1 ZINC000876993690 689993317 /nfs/dbraw/zinc/99/33/17/689993317.db2.gz NIFGEQYQDBZYET-QGZVFWFLSA-N 1 3 307.482 2.289 20 0 DEADHO O=C1C[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CCCN1 ZINC000876993690 689993320 /nfs/dbraw/zinc/99/33/20/689993320.db2.gz NIFGEQYQDBZYET-QGZVFWFLSA-N 1 3 307.482 2.289 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001034975547 690003181 /nfs/dbraw/zinc/00/31/81/690003181.db2.gz SQPWMRGVJTWDEC-IAGOWNOFSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)N2CCCCC[C@H]([NH3+])C2)cc(Cl)n1 ZINC000877126573 690024401 /nfs/dbraw/zinc/02/44/01/690024401.db2.gz OCGBXOMEUUTXFY-KBPBESRZSA-N 1 3 324.856 2.163 20 0 DEADHO Cc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCCC2)c1 ZINC001035126371 690033682 /nfs/dbraw/zinc/03/36/82/690033682.db2.gz ZPFQJDCZURVLSN-GOSISDBHSA-N 1 3 315.461 2.171 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001035166557 690045804 /nfs/dbraw/zinc/04/58/04/690045804.db2.gz QBHSQUGJYWCISR-IAGOWNOFSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001035166557 690045805 /nfs/dbraw/zinc/04/58/05/690045805.db2.gz QBHSQUGJYWCISR-IAGOWNOFSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@@H](C)C1)CC2 ZINC001035226665 690065341 /nfs/dbraw/zinc/06/53/41/690065341.db2.gz JIVHUPLMGIZBPG-QGZVFWFLSA-N 1 3 321.509 2.443 20 0 DEADHO CCCC[N@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@@H](C)C1)CC2 ZINC001035226665 690065342 /nfs/dbraw/zinc/06/53/42/690065342.db2.gz JIVHUPLMGIZBPG-QGZVFWFLSA-N 1 3 321.509 2.443 20 0 DEADHO CN(C)C1(C(=O)N2CCC3(C[NH+](CCC4CC4)C3)CC2)CCC1 ZINC001035720696 690160938 /nfs/dbraw/zinc/16/09/38/690160938.db2.gz PKIUAJHNMLMPTC-UHFFFAOYSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC2(C[NH+](CC3CCC3)C2)CC1 ZINC001035798784 690179024 /nfs/dbraw/zinc/17/90/24/690179024.db2.gz OZLRLKAWHRUXAX-MRXNPFEDSA-N 1 3 319.493 2.195 20 0 DEADHO CC[NH+]1CC2(C1)CCN(C(=O)c1cccc(CN(C)C)c1)CC2 ZINC001035854999 690194136 /nfs/dbraw/zinc/19/41/36/690194136.db2.gz DJOHGULGWCQQCZ-UHFFFAOYSA-N 1 3 315.461 2.306 20 0 DEADHO CC(C)[NH+]1CCC(CCNCc2cn3cccnc3n2)CC1 ZINC000877696912 690194709 /nfs/dbraw/zinc/19/47/09/690194709.db2.gz BAFGDLSHABDKCO-UHFFFAOYSA-N 1 3 301.438 2.329 20 0 DEADHO C[N@@H+]1CC[C@@H]2CN(CCC3CN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000877742985 690211799 /nfs/dbraw/zinc/21/17/99/690211799.db2.gz SNYOQVXRTXQDAJ-HZPDHXFCSA-N 1 3 323.481 2.269 20 0 DEADHO C[N@H+]1CC[C@@H]2CN(CCC3CN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000877742985 690211803 /nfs/dbraw/zinc/21/18/03/690211803.db2.gz SNYOQVXRTXQDAJ-HZPDHXFCSA-N 1 3 323.481 2.269 20 0 DEADHO CN1CC[C@@H]2C[N@H+](CCC3CN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000877742985 690211805 /nfs/dbraw/zinc/21/18/05/690211805.db2.gz SNYOQVXRTXQDAJ-HZPDHXFCSA-N 1 3 323.481 2.269 20 0 DEADHO CN1CC[C@@H]2C[N@@H+](CCC3CN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000877742985 690211810 /nfs/dbraw/zinc/21/18/10/690211810.db2.gz SNYOQVXRTXQDAJ-HZPDHXFCSA-N 1 3 323.481 2.269 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CC1CCCC1 ZINC001036063294 690250267 /nfs/dbraw/zinc/25/02/67/690250267.db2.gz JBMGFVCVQOQVPC-MAUKXSAKSA-N 1 3 321.509 2.488 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C[C@H]3CCC4(CCOCC4)O3)CC[C@H]21 ZINC000878196497 690343840 /nfs/dbraw/zinc/34/38/40/690343840.db2.gz CYLSJWBRGDPVJW-BRWVUGGUSA-N 1 3 308.466 2.131 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C[C@H]3CCC4(CCOCC4)O3)CC[C@H]21 ZINC000878196497 690343843 /nfs/dbraw/zinc/34/38/43/690343843.db2.gz CYLSJWBRGDPVJW-BRWVUGGUSA-N 1 3 308.466 2.131 20 0 DEADHO C[C@@H]1CN(C[C@@H]2CCC(C)(C)CO2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000878324298 690378989 /nfs/dbraw/zinc/37/89/89/690378989.db2.gz KLPCCVJXODXOBQ-SQNIBIBYSA-N 1 3 323.525 2.149 20 0 DEADHO CC[C@@](C)(NCC(=O)NC1CC[NH+](C)CC1)c1ccccc1 ZINC000878362277 690388162 /nfs/dbraw/zinc/38/81/62/690388162.db2.gz QXJNGHORKXJHOL-GOSISDBHSA-N 1 3 303.450 2.112 20 0 DEADHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1C[NH2+]CC1CCCC1 ZINC001036580196 690390748 /nfs/dbraw/zinc/39/07/48/690390748.db2.gz YHRLFPDWYLMCOR-RHSMWYFYSA-N 1 3 318.465 2.359 20 0 DEADHO C[C@@H](NCC(=O)NC1CC[NH+](C)CC1)c1cccc(C2CC2)c1 ZINC000878659543 690469318 /nfs/dbraw/zinc/46/93/18/690469318.db2.gz DTOCCJPQSCSDBQ-CQSZACIVSA-N 1 3 315.461 2.425 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@H]21 ZINC001036820813 690485426 /nfs/dbraw/zinc/48/54/26/690485426.db2.gz PBAKPCBEZBCVHT-HZPDHXFCSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@H]21 ZINC001036820813 690485428 /nfs/dbraw/zinc/48/54/28/690485428.db2.gz PBAKPCBEZBCVHT-HZPDHXFCSA-N 1 3 307.482 2.051 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@H]21 ZINC001036855012 690499897 /nfs/dbraw/zinc/49/98/97/690499897.db2.gz ULFFENYQUVZDEJ-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@H]21 ZINC001036855012 690499899 /nfs/dbraw/zinc/49/98/99/690499899.db2.gz ULFFENYQUVZDEJ-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO COc1cccc([C@@H]2CN(CC[C@H]3CCC[N@@H+]3C)CCN2)c1 ZINC000879523416 690661959 /nfs/dbraw/zinc/66/19/59/690661959.db2.gz CNUPSKFLKFERMC-AEFFLSMTSA-N 1 3 303.450 2.126 20 0 DEADHO COc1cccc([C@@H]2CN(CC[C@H]3CCC[N@H+]3C)CCN2)c1 ZINC000879523416 690661961 /nfs/dbraw/zinc/66/19/61/690661961.db2.gz CNUPSKFLKFERMC-AEFFLSMTSA-N 1 3 303.450 2.126 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2CC2CC3(CCC3)C2)CC[N@@H+]1C ZINC001038265491 690762434 /nfs/dbraw/zinc/76/24/34/690762434.db2.gz KPXJJDJQVMQRRH-HYVNUMGLSA-N 1 3 319.493 2.097 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2CC2CC3(CCC3)C2)CC[N@H+]1C ZINC001038265491 690762438 /nfs/dbraw/zinc/76/24/38/690762438.db2.gz KPXJJDJQVMQRRH-HYVNUMGLSA-N 1 3 319.493 2.097 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC(CC)CC ZINC001038325198 690780844 /nfs/dbraw/zinc/78/08/44/690780844.db2.gz CVCLVACLVWWMMJ-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CC(CC)CC ZINC001038325198 690780848 /nfs/dbraw/zinc/78/08/48/690780848.db2.gz CVCLVACLVWWMMJ-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN1CC1CCC1 ZINC001038440506 690823437 /nfs/dbraw/zinc/82/34/37/690823437.db2.gz CXKXCAAURJWICF-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN1CC1CCC1 ZINC001038440506 690823440 /nfs/dbraw/zinc/82/34/40/690823440.db2.gz CXKXCAAURJWICF-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N1CC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038558025 690858114 /nfs/dbraw/zinc/85/81/14/690858114.db2.gz XSTWGCMLZDQTEZ-INIZCTEOSA-N 1 3 303.450 2.003 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CCN2CC2CCC2)C1 ZINC001038623234 690879476 /nfs/dbraw/zinc/87/94/76/690879476.db2.gz KANJXTKBBXJEOZ-DLBZAZTESA-N 1 3 307.482 2.099 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CCN2CC2CCC2)C1 ZINC001038623234 690879479 /nfs/dbraw/zinc/87/94/79/690879479.db2.gz KANJXTKBBXJEOZ-DLBZAZTESA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)Oc1ccc(CN2CCC(O)(C[NH+](C)C)CC2)cc1 ZINC000931485530 694409608 /nfs/dbraw/zinc/40/96/08/694409608.db2.gz MCWFFGKUUUYSIM-UHFFFAOYSA-N 1 3 306.450 2.362 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2CCC2CCCCCC2)C1 ZINC001039028851 690998509 /nfs/dbraw/zinc/99/85/09/690998509.db2.gz RTGAHUMFSQOFOR-ROUUACIJSA-N 1 3 321.509 2.489 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2CCC2CCCCCC2)C1 ZINC001039028851 690998510 /nfs/dbraw/zinc/99/85/10/690998510.db2.gz RTGAHUMFSQOFOR-ROUUACIJSA-N 1 3 321.509 2.489 20 0 DEADHO CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001039113334 691022199 /nfs/dbraw/zinc/02/21/99/691022199.db2.gz LQLIJIJSGHTLLO-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001039113334 691022203 /nfs/dbraw/zinc/02/22/03/691022203.db2.gz LQLIJIJSGHTLLO-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001039154110 691034667 /nfs/dbraw/zinc/03/46/67/691034667.db2.gz PXXJVFAJSFHLEO-IAGOWNOFSA-N 1 3 309.498 2.153 20 0 DEADHO CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001039154110 691034670 /nfs/dbraw/zinc/03/46/70/691034670.db2.gz PXXJVFAJSFHLEO-IAGOWNOFSA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039165324 691037382 /nfs/dbraw/zinc/03/73/82/691037382.db2.gz OPHYUPMNNPZMJL-SJLPKXTDSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039165324 691037384 /nfs/dbraw/zinc/03/73/84/691037384.db2.gz OPHYUPMNNPZMJL-SJLPKXTDSA-N 1 3 321.509 2.440 20 0 DEADHO CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C1CC1)N(C)C ZINC001039288644 691075694 /nfs/dbraw/zinc/07/56/94/691075694.db2.gz DJEISMNZUCDSBK-NPYXIHBLSA-N 1 3 307.482 2.238 20 0 DEADHO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCC(C)CC1 ZINC001039304757 691077563 /nfs/dbraw/zinc/07/75/63/691077563.db2.gz WVCCSOZFYURJMW-ALOPSCKCSA-N 1 3 307.482 2.240 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC([NH+](CC2CC2)CC2CC2)CC1 ZINC001039483980 691117327 /nfs/dbraw/zinc/11/73/27/691117327.db2.gz KKDPIKRPBGUUOH-GOSISDBHSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040240755 691219516 /nfs/dbraw/zinc/21/95/16/691219516.db2.gz IRBIPTJPMRTHQM-LJQANCHMSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040240755 691219518 /nfs/dbraw/zinc/21/95/18/691219518.db2.gz IRBIPTJPMRTHQM-LJQANCHMSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)C1 ZINC001040395339 691242222 /nfs/dbraw/zinc/24/22/22/691242222.db2.gz OHNXZPWGYVQQOP-QFBILLFUSA-N 1 3 319.493 2.053 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)C1 ZINC001040395339 691242225 /nfs/dbraw/zinc/24/22/25/691242225.db2.gz OHNXZPWGYVQQOP-QFBILLFUSA-N 1 3 319.493 2.053 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CC3CCC3)C2)C1)N(C)C ZINC001041378833 691368606 /nfs/dbraw/zinc/36/86/06/691368606.db2.gz MFTZCUQGZIHTIY-HKUYNNGSSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CC3CCC3)C2)C1)N(C)C ZINC001041378833 691368610 /nfs/dbraw/zinc/36/86/10/691368610.db2.gz MFTZCUQGZIHTIY-HKUYNNGSSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001041679053 691409437 /nfs/dbraw/zinc/40/94/37/691409437.db2.gz KGKIWHFQBWVHID-MJGOQNOKSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)CC[N@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001041679053 691409440 /nfs/dbraw/zinc/40/94/40/691409440.db2.gz KGKIWHFQBWVHID-MJGOQNOKSA-N 1 3 321.509 2.299 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@]3(CC[N@H+](CC4CC4)C3)C2)CC1 ZINC001041757334 691425094 /nfs/dbraw/zinc/42/50/94/691425094.db2.gz SFVVPWXYNQXCKD-LJQANCHMSA-N 1 3 319.493 2.053 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@]3(CC[N@@H+](CC4CC4)C3)C2)CC1 ZINC001041757334 691425096 /nfs/dbraw/zinc/42/50/96/691425096.db2.gz SFVVPWXYNQXCKD-LJQANCHMSA-N 1 3 319.493 2.053 20 0 DEADHO CN1CC[C@@H]([NH2+]Cc2ccc(N3CCNC3=O)cc2)CC1(C)C ZINC000883280606 691471075 /nfs/dbraw/zinc/47/10/75/691471075.db2.gz ISZBYYYCTGGKOL-OAHLLOKOSA-N 1 3 316.449 2.179 20 0 DEADHO CN1CC[C@@H]([NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)CC1(C)C ZINC000883362970 691489719 /nfs/dbraw/zinc/48/97/19/691489719.db2.gz RVYUADDBESOZKO-RKDXNWHRSA-N 1 3 304.303 2.007 20 0 DEADHO [NH3+][C@@H](CC1CC1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000884189495 691678108 /nfs/dbraw/zinc/67/81/08/691678108.db2.gz HDQCAUFXZJDEDK-DLBZAZTESA-N 1 3 301.434 2.067 20 0 DEADHO N[C@@H](CC1CC1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000884189495 691678112 /nfs/dbraw/zinc/67/81/12/691678112.db2.gz HDQCAUFXZJDEDK-DLBZAZTESA-N 1 3 301.434 2.067 20 0 DEADHO N[C@H](CC1CC1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000884202035 691681075 /nfs/dbraw/zinc/68/10/75/691681075.db2.gz OOEBZQDRIMSEAA-QGZVFWFLSA-N 1 3 307.482 2.275 20 0 DEADHO C[NH2+]CCOc1cccc(C(=O)Nc2ccc3c(c2)CNC3)c1 ZINC000884299374 691703324 /nfs/dbraw/zinc/70/33/24/691703324.db2.gz SHOORFKVGPELCV-UHFFFAOYSA-N 1 3 311.385 2.140 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001044959778 691919730 /nfs/dbraw/zinc/91/97/30/691919730.db2.gz MFHRIKKEGUYKRS-IRXDYDNUSA-N 1 3 319.424 2.001 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1)N(C)C ZINC001045203726 691951154 /nfs/dbraw/zinc/95/11/54/691951154.db2.gz LJPORYUBODUXEB-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1)N(C)C ZINC001045841844 692035187 /nfs/dbraw/zinc/03/51/87/692035187.db2.gz OQXFJCZSGSYLRV-FGTMMUONSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1)N(C)C ZINC001045841844 692035190 /nfs/dbraw/zinc/03/51/90/692035190.db2.gz OQXFJCZSGSYLRV-FGTMMUONSA-N 1 3 321.509 2.438 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@]2(CC[N@@H+](C(C)C)C2)C1)N(C)C ZINC001045946957 692059904 /nfs/dbraw/zinc/05/99/04/692059904.db2.gz GDMQCSKNTIFZQJ-SJLPKXTDSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@]2(CC[N@H+](C(C)C)C2)C1)N(C)C ZINC001045946957 692059906 /nfs/dbraw/zinc/05/99/06/692059906.db2.gz GDMQCSKNTIFZQJ-SJLPKXTDSA-N 1 3 309.498 2.440 20 0 DEADHO CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001045966993 692064696 /nfs/dbraw/zinc/06/46/96/692064696.db2.gz KULRBSQAVHUUQG-WMZOPIPTSA-N 1 3 307.482 2.053 20 0 DEADHO CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001045966993 692064700 /nfs/dbraw/zinc/06/47/00/692064700.db2.gz KULRBSQAVHUUQG-WMZOPIPTSA-N 1 3 307.482 2.053 20 0 DEADHO CC(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045969599 692065548 /nfs/dbraw/zinc/06/55/48/692065548.db2.gz USLVGRHKIQAVDX-SFHVURJKSA-N 1 3 318.465 2.313 20 0 DEADHO CC(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045969599 692065551 /nfs/dbraw/zinc/06/55/51/692065551.db2.gz USLVGRHKIQAVDX-SFHVURJKSA-N 1 3 318.465 2.313 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H](C2CC[NH+](CC)CC2)C1)N(C)C ZINC001047257796 692403183 /nfs/dbraw/zinc/40/31/83/692403183.db2.gz UJFFLKAIFXDYJZ-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H]([NH2+]CC1CC(C)(C)C1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048067116 692541937 /nfs/dbraw/zinc/54/19/37/692541937.db2.gz ROBTUCMPXUSRQO-DOTOQJQBSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC3=CCCCC3)C[C@@H]2C1)N(C)C ZINC001048888904 692716941 /nfs/dbraw/zinc/71/69/41/692716941.db2.gz AOMQNFLKJWLCMZ-FGTMMUONSA-N 1 3 319.493 2.217 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CC3=CCCCC3)C[C@@H]2C1)N(C)C ZINC001048888904 692716944 /nfs/dbraw/zinc/71/69/44/692716944.db2.gz AOMQNFLKJWLCMZ-FGTMMUONSA-N 1 3 319.493 2.217 20 0 DEADHO CC(C)(C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CC1)N1CCCC1 ZINC001049640215 692949131 /nfs/dbraw/zinc/94/91/31/692949131.db2.gz TZOGVLQYFYOCRI-DLBZAZTESA-N 1 3 319.493 2.336 20 0 DEADHO CC(C)(C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CC1)N1CCCC1 ZINC001049640215 692949134 /nfs/dbraw/zinc/94/91/34/692949134.db2.gz TZOGVLQYFYOCRI-DLBZAZTESA-N 1 3 319.493 2.336 20 0 DEADHO CCN1CC[C@@H](C[NH2+]C2CC(CNC(=O)OC(C)(C)C)C2)C1 ZINC000924707895 693175039 /nfs/dbraw/zinc/17/50/39/693175039.db2.gz WCTRFTTVGYSGJL-NFOMZHRRSA-N 1 3 311.470 2.221 20 0 DEADHO CN1CCCN(C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000925036121 693216220 /nfs/dbraw/zinc/21/62/20/693216220.db2.gz AJMHJGYWLKJCCP-UHFFFAOYSA-N 1 3 322.497 2.131 20 0 DEADHO C[C@@H]1OC[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)[C@@H]1C ZINC000925224183 693243325 /nfs/dbraw/zinc/24/33/25/693243325.db2.gz YGRXACANZFOURC-VCBZYWHSSA-N 1 3 318.461 2.156 20 0 DEADHO CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)CC1 ZINC001050765677 693246835 /nfs/dbraw/zinc/24/68/35/693246835.db2.gz WGESZYZANGEAHI-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO CN(C)C(=O)C1(C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)CCCC1 ZINC000925488324 693281303 /nfs/dbraw/zinc/28/13/03/693281303.db2.gz RTCCCOFDVVHNIF-IRXDYDNUSA-N 1 3 321.509 2.393 20 0 DEADHO C(C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1)COC[C@H]1CCOC1 ZINC000925523885 693288272 /nfs/dbraw/zinc/28/82/72/693288272.db2.gz VXWFAVGQNJTBDK-BPQIPLTHSA-N 1 3 310.482 2.188 20 0 DEADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1CCN(c3ncccc3Cl)C1)[NH2+]2 ZINC000925550809 693294809 /nfs/dbraw/zinc/29/48/09/693294809.db2.gz CNOCILIBBOSGCD-GADBESIXSA-N 1 3 320.868 2.432 20 0 DEADHO CCN(CC)C(=O)CCC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925597290 693306613 /nfs/dbraw/zinc/30/66/13/693306613.db2.gz MOHDFVVBKFWJNR-SJORKVTESA-N 1 3 309.498 2.393 20 0 DEADHO C[C@H](c1ccncc1)N1CCC(N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925608509 693307977 /nfs/dbraw/zinc/30/79/77/693307977.db2.gz ZCINJSXFMQKGQM-QAPCUYQASA-N 1 3 314.477 2.481 20 0 DEADHO OC1(C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)Cc2ccccc2C1 ZINC000925610749 693308559 /nfs/dbraw/zinc/30/85/59/693308559.db2.gz HNGWKMLGXAFMIO-RTBURBONSA-N 1 3 314.473 2.274 20 0 DEADHO OC1(CN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)Cc2ccccc2C1 ZINC000925610749 693308563 /nfs/dbraw/zinc/30/85/63/693308563.db2.gz HNGWKMLGXAFMIO-RTBURBONSA-N 1 3 314.473 2.274 20 0 DEADHO C[C@@H]1NCCC[C@H]1[NH2+]C[C@@H]1CSCCN1Cc1ccccc1 ZINC000925651267 693317803 /nfs/dbraw/zinc/31/78/03/693317803.db2.gz ZHRKURXUCJDMEP-CGTJXYLNSA-N 1 3 319.518 2.334 20 0 DEADHO CC1(C)[C@H](NCCc2cccc3c2OCCO3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925876123 693358489 /nfs/dbraw/zinc/35/84/89/693358489.db2.gz XLMCZQXJDWRZFO-FHLIZLRMSA-N 1 3 316.445 2.367 20 0 DEADHO CC1(C)[C@H]([NH2+]CCc2cccc3c2OCCO3)[C@@H]2CCCN[C@@H]21 ZINC000925876123 693358491 /nfs/dbraw/zinc/35/84/91/693358491.db2.gz XLMCZQXJDWRZFO-FHLIZLRMSA-N 1 3 316.445 2.367 20 0 DEADHO C[C@@H](NCc1cc(N)ccn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000925772547 693339083 /nfs/dbraw/zinc/33/90/83/693339083.db2.gz TYMJDYFRUXODHB-CQSZACIVSA-N 1 3 314.433 2.455 20 0 DEADHO C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccccc1-n1ccnn1 ZINC000925779328 693341124 /nfs/dbraw/zinc/34/11/24/693341124.db2.gz XBKULCNBEHNKEQ-QWHCGFSZSA-N 1 3 321.375 2.163 20 0 DEADHO COc1ccc(Cl)cc1[C@H](C)NCCN1CCC([NH3+])CC1 ZINC000925812624 693345890 /nfs/dbraw/zinc/34/58/90/693345890.db2.gz XHADXKDKJPAICG-LBPRGKRZSA-N 1 3 311.857 2.422 20 0 DEADHO CC1(C)C[C@@H](N)C[C@H]([NH2+]CCc2ccccc2S(C)(=O)=O)C1 ZINC000925828881 693349011 /nfs/dbraw/zinc/34/90/11/693349011.db2.gz JJKITOREYJYNHN-GJZGRUSLSA-N 1 3 324.490 2.128 20 0 DEADHO CC1(C)C[C@@H]([NH3+])C[C@H](NCCc2ccccc2S(C)(=O)=O)C1 ZINC000925828881 693349017 /nfs/dbraw/zinc/34/90/17/693349017.db2.gz JJKITOREYJYNHN-GJZGRUSLSA-N 1 3 324.490 2.128 20 0 DEADHO C[C@@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)nc1 ZINC000925852594 693353245 /nfs/dbraw/zinc/35/32/45/693353245.db2.gz OYPXNSAHHRLOMH-YPMHNXCESA-N 1 3 323.824 2.071 20 0 DEADHO C[C@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)nc1 ZINC000925852583 693353639 /nfs/dbraw/zinc/35/36/39/693353639.db2.gz OYPXNSAHHRLOMH-AAEUAGOBSA-N 1 3 323.824 2.071 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CCC[N@H+](CCC2CC2)CC1 ZINC001052713481 693601899 /nfs/dbraw/zinc/60/18/99/693601899.db2.gz YEQLBANBQZEHNX-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC001052713481 693601902 /nfs/dbraw/zinc/60/19/02/693601902.db2.gz YEQLBANBQZEHNX-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[N@H+](CC2CCC2)CC1 ZINC001052899324 693644141 /nfs/dbraw/zinc/64/41/41/693644141.db2.gz QYRGEYOPXIVGSI-HNNXBMFYSA-N 1 3 304.438 2.031 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC001052899324 693644143 /nfs/dbraw/zinc/64/41/43/693644143.db2.gz QYRGEYOPXIVGSI-HNNXBMFYSA-N 1 3 304.438 2.031 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(CF)cc2)C1)N(C)C ZINC001402519804 1162377612 /nfs/dbraw/zinc/37/76/12/1162377612.db2.gz RGISXRWXDJFKRW-ULQDDVLXSA-N 1 3 321.440 2.233 20 0 DEADHO CC[C@H](C)C[NH2+]C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001402708470 1162446556 /nfs/dbraw/zinc/44/65/56/1162446556.db2.gz YRJUKXXLFCBIEB-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](F)C[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001402770289 1162465892 /nfs/dbraw/zinc/46/58/92/1162465892.db2.gz NJCLDNZSDIQJSV-HUUCEWRRSA-N 1 3 315.477 2.291 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]CCC(C)(C)C)CC1 ZINC001402772168 1162467232 /nfs/dbraw/zinc/46/72/32/1162467232.db2.gz NCTLLPHBLIRANM-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)NC1(C[NH2+]Cc2cncs2)CCCC1 ZINC001378376397 1152309258 /nfs/dbraw/zinc/30/92/58/1152309258.db2.gz UGEQXARETFLYAZ-UHFFFAOYSA-N 1 3 324.494 2.002 20 0 DEADHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1C[NH+](CC2CCC2)C1 ZINC001378544297 1152370594 /nfs/dbraw/zinc/37/05/94/1152370594.db2.gz VJXMQFUZZIXLRV-CQSZACIVSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H](C[N@H+](C)CCc1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001379674449 1152670594 /nfs/dbraw/zinc/67/05/94/1152670594.db2.gz BZBZVQRSSQHNJM-INIZCTEOSA-N 1 3 317.477 2.150 20 0 DEADHO C[C@@H](C[N@@H+](C)CCc1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001379674449 1152670598 /nfs/dbraw/zinc/67/05/98/1152670598.db2.gz BZBZVQRSSQHNJM-INIZCTEOSA-N 1 3 317.477 2.150 20 0 DEADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]Cc2ccc(C)cc2)C1 ZINC001380176434 1152762577 /nfs/dbraw/zinc/76/25/77/1152762577.db2.gz LFOQJVHXRWLDGE-UHFFFAOYSA-N 1 3 317.477 2.416 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](C[C@@H](C)CC(C)C)C[C@@H]2C1)N(C)C ZINC001380701818 1152846656 /nfs/dbraw/zinc/84/66/56/1152846656.db2.gz CFMBEGQIXPDGLO-FJIDUMEYSA-N 1 3 323.525 2.399 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](C[C@@H](C)CC(C)C)C[C@@H]2C1)N(C)C ZINC001380701818 1152846658 /nfs/dbraw/zinc/84/66/58/1152846658.db2.gz CFMBEGQIXPDGLO-FJIDUMEYSA-N 1 3 323.525 2.399 20 0 DEADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)CC1CC2(CCC2)C1 ZINC001381533883 1153113008 /nfs/dbraw/zinc/11/30/08/1153113008.db2.gz KDVOAZALBLIMQP-HNNXBMFYSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)CC1CC2(CCC2)C1 ZINC001381533883 1153113012 /nfs/dbraw/zinc/11/30/12/1153113012.db2.gz KDVOAZALBLIMQP-HNNXBMFYSA-N 1 3 321.509 2.488 20 0 DEADHO C[NH+]1CCC(N2CC[C@H](NCc3cccc(F)c3F)C2)CC1 ZINC001363362620 1153360096 /nfs/dbraw/zinc/36/00/96/1153360096.db2.gz ZSCQSEMSKNGJSN-AWEZNQCLSA-N 1 3 309.404 2.223 20 0 DEADHO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC001363401606 1153380520 /nfs/dbraw/zinc/38/05/20/1153380520.db2.gz VZNIWMDOMSNKMG-KSZLIROESA-N 1 3 315.461 2.375 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C[C@H]1C ZINC001382317690 1153422083 /nfs/dbraw/zinc/42/20/83/1153422083.db2.gz UGMNZQIGWVHYHR-WBVHZDCISA-N 1 3 321.509 2.486 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC001382364954 1153437119 /nfs/dbraw/zinc/43/71/19/1153437119.db2.gz SUTBJNRJTZMVIZ-KGLIPLIRSA-N 1 3 313.461 2.045 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1C[C@H](NC[C@H](F)CC)C(C)(C)C1 ZINC001382377211 1153439525 /nfs/dbraw/zinc/43/95/25/1153439525.db2.gz LXTBITWZEBHWCG-CABCVRRESA-N 1 3 315.477 2.293 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](NC[C@H](F)CC)C(C)(C)C1 ZINC001382377211 1153439527 /nfs/dbraw/zinc/43/95/27/1153439527.db2.gz LXTBITWZEBHWCG-CABCVRRESA-N 1 3 315.477 2.293 20 0 DEADHO CC[NH+]1CCC(CNCC(=O)N2CCCc3ccccc32)CC1 ZINC001363597362 1153477934 /nfs/dbraw/zinc/47/79/34/1153477934.db2.gz JISSQVSVLRGNPD-UHFFFAOYSA-N 1 3 315.461 2.287 20 0 DEADHO C[NH+]1CCC(CN[C@@H](CC(N)=O)c2ccccc2Cl)CC1 ZINC001363599859 1153479681 /nfs/dbraw/zinc/47/96/81/1153479681.db2.gz BTWUIDCGPDCSQP-HNNXBMFYSA-N 1 3 309.841 2.188 20 0 DEADHO CN(CC(C)(C)C[NH+](C)C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001363852357 1153668904 /nfs/dbraw/zinc/66/89/04/1153668904.db2.gz WVCYXUOLBOYFKJ-QGZVFWFLSA-N 1 3 315.477 2.245 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+]C[C@H](CO)CC2CC2)CC1 ZINC001363917466 1153720249 /nfs/dbraw/zinc/72/02/49/1153720249.db2.gz HLRLNUKYMUTULH-WWDZGPRUSA-N 1 3 310.482 2.018 20 0 DEADHO Cc1cc(F)ccc1C[NH2+][C@@H](C)[C@H](C)NC(=O)CN(C)C(C)C ZINC001403035076 1162645441 /nfs/dbraw/zinc/64/54/41/1162645441.db2.gz KFHLEJBUGXHZGF-GJZGRUSLSA-N 1 3 323.456 2.457 20 0 DEADHO C[C@H](F)CC[NH2+]CC(C)(C)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001570682836 1155004764 /nfs/dbraw/zinc/00/47/64/1155004764.db2.gz FMTVEMSJQWKVDV-GJZGRUSLSA-N 1 3 315.477 2.151 20 0 DEADHO CCCN1CC[C@@H]1CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001388642777 1155052840 /nfs/dbraw/zinc/05/28/40/1155052840.db2.gz VHAVMFHWGLTVHY-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCC2CC2)C1)N(CC)CC ZINC001389395357 1155329332 /nfs/dbraw/zinc/32/93/32/1155329332.db2.gz UWXHADZRVZUBBC-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)C1)N(CC)CC ZINC001389395357 1155329336 /nfs/dbraw/zinc/32/93/36/1155329336.db2.gz UWXHADZRVZUBBC-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@@H]([NH2+]CC2CCCCC2)C2CC2)C1 ZINC001389675700 1155393168 /nfs/dbraw/zinc/39/31/68/1155393168.db2.gz YMQULAKHEKBXSV-CRAIPNDOSA-N 1 3 321.509 2.393 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001389895675 1155465187 /nfs/dbraw/zinc/46/51/87/1155465187.db2.gz GIQZBQHSQCVVEP-IYARVYRRSA-N 1 3 317.477 2.382 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1cc(C)cc(C)c1)N(C)C ZINC001403093367 1162705120 /nfs/dbraw/zinc/70/51/20/1162705120.db2.gz ZXMVJNNXSXHJKE-RDJZCZTQSA-N 1 3 305.466 2.238 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@H+](CCCF)CC[C@@H]21 ZINC001389954108 1155481194 /nfs/dbraw/zinc/48/11/94/1155481194.db2.gz NMLHHNWPECJGIO-HOTGVXAUSA-N 1 3 313.461 2.001 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@@H+](CCCF)CC[C@@H]21 ZINC001389954108 1155481198 /nfs/dbraw/zinc/48/11/98/1155481198.db2.gz NMLHHNWPECJGIO-HOTGVXAUSA-N 1 3 313.461 2.001 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001390009858 1155498312 /nfs/dbraw/zinc/49/83/12/1155498312.db2.gz KMUGZAKUCOXZKU-OWCLPIDISA-N 1 3 309.498 2.246 20 0 DEADHO CC(C)C[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C ZINC001371041580 1155666925 /nfs/dbraw/zinc/66/69/25/1155666925.db2.gz ILKMSKUVRWVSKQ-QXDIGNSFSA-N 1 3 323.525 2.301 20 0 DEADHO CC(C)C[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C ZINC001371041580 1155666927 /nfs/dbraw/zinc/66/69/27/1155666927.db2.gz ILKMSKUVRWVSKQ-QXDIGNSFSA-N 1 3 323.525 2.301 20 0 DEADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]C/C=C/c1ccccc1 ZINC001371213985 1155791713 /nfs/dbraw/zinc/79/17/13/1155791713.db2.gz SKSAIXYPBPMYQU-OJXHRBAXSA-N 1 3 315.461 2.278 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001390531620 1155795549 /nfs/dbraw/zinc/79/55/49/1155795549.db2.gz FDCHBTXRYBGNBZ-UONOGXRCSA-N 1 3 319.440 2.246 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001371258048 1155808436 /nfs/dbraw/zinc/80/84/36/1155808436.db2.gz UHOOLVSVKLSDHK-XJKSGUPXSA-N 1 3 309.429 2.069 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC001390592031 1155809262 /nfs/dbraw/zinc/80/92/62/1155809262.db2.gz ABBAJDJFNOMZHQ-AWEZNQCLSA-N 1 3 309.479 2.026 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001371424529 1155850021 /nfs/dbraw/zinc/85/00/21/1155850021.db2.gz IKENUZOOKSYMIY-HNNXBMFYSA-N 1 3 309.498 2.393 20 0 DEADHO CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)CCC1CCCC1 ZINC001390958907 1156009642 /nfs/dbraw/zinc/00/96/42/1156009642.db2.gz NTJMXUJVPJTPFJ-INIZCTEOSA-N 1 3 309.498 2.347 20 0 DEADHO CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)CCC1CCCC1 ZINC001390958907 1156009648 /nfs/dbraw/zinc/00/96/48/1156009648.db2.gz NTJMXUJVPJTPFJ-INIZCTEOSA-N 1 3 309.498 2.347 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cccc(F)c1)N(C)C ZINC001371829661 1156035563 /nfs/dbraw/zinc/03/55/63/1156035563.db2.gz UFBPWGBRVZJHHE-RHSMWYFYSA-N 1 3 323.456 2.396 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CC[N@H+](CCC2CC2)C1)N1CCCCC1 ZINC001391087417 1156095572 /nfs/dbraw/zinc/09/55/72/1156095572.db2.gz WBKJVHWDYNFWCR-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CC[N@@H+](CCC2CC2)C1)N1CCCCC1 ZINC001391087417 1156095581 /nfs/dbraw/zinc/09/55/81/1156095581.db2.gz WBKJVHWDYNFWCR-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CCN(CCNC(=O)CC[NH+](C)C)[C@H]1CCc2c1cccc2F ZINC001372408293 1156393745 /nfs/dbraw/zinc/39/37/45/1156393745.db2.gz JRLJVTTTZZZSNL-KRWDZBQOSA-N 1 3 321.440 2.203 20 0 DEADHO CCCN(C)CC(=O)NCC1C[NH+]([C@H](C)c2ccccc2)C1 ZINC001391514101 1156481089 /nfs/dbraw/zinc/48/10/89/1156481089.db2.gz HHMGJBOVTMACCT-OAHLLOKOSA-N 1 3 303.450 2.137 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001372683838 1156682519 /nfs/dbraw/zinc/68/25/19/1156682519.db2.gz RUGZXRALQJCMRR-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[N@H+](C)CCC1CCCC1 ZINC001403166506 1162803087 /nfs/dbraw/zinc/80/30/87/1162803087.db2.gz DHPAGECGKCPHAG-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[N@@H+](C)CCC1CCCC1 ZINC001403166506 1162803089 /nfs/dbraw/zinc/80/30/89/1162803089.db2.gz DHPAGECGKCPHAG-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)N1CCC([C@H](C)[NH2+]C/C=C/Cl)CC1)N(C)C ZINC001372993472 1156834354 /nfs/dbraw/zinc/83/43/54/1156834354.db2.gz JAYPWDSFGFPKSK-YQKVRLQISA-N 1 3 315.889 2.296 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)CN(C)C(C)C)c(C)c1 ZINC001391967121 1156842834 /nfs/dbraw/zinc/84/28/34/1156842834.db2.gz OUBKBPAIXVQJGU-MRXNPFEDSA-N 1 3 319.493 2.486 20 0 DEADHO CN(CC[N@H+](C)CC1CC(C)(C)C1)C(=O)CN(C)C1CCC1 ZINC001392284359 1156980370 /nfs/dbraw/zinc/98/03/70/1156980370.db2.gz MAHBHNSVPLHVFT-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CN(CC[N@@H+](C)CC1CC(C)(C)C1)C(=O)CN(C)C1CCC1 ZINC001392284359 1156980387 /nfs/dbraw/zinc/98/03/87/1156980387.db2.gz MAHBHNSVPLHVFT-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1CN([C@@H](C)c2ccccc2)C1)[NH+](C)C ZINC001373547709 1157090737 /nfs/dbraw/zinc/09/07/37/1157090737.db2.gz WAIXXBYSAYUTKZ-YJBOKZPZSA-N 1 3 317.477 2.382 20 0 DEADHO C[C@@H](C[N@H+](C)CC1CCC1)NC(=O)C(C)(C)N1CCCCC1 ZINC001392660365 1157308777 /nfs/dbraw/zinc/30/87/77/1157308777.db2.gz SXTOKGNWTNZQMM-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](C[N@@H+](C)CC1CCC1)NC(=O)C(C)(C)N1CCCCC1 ZINC001392660365 1157308785 /nfs/dbraw/zinc/30/87/85/1157308785.db2.gz SXTOKGNWTNZQMM-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)C(C)C)C[C@@]2(C)C1 ZINC001403397366 1162872147 /nfs/dbraw/zinc/87/21/47/1162872147.db2.gz DYXNHOYVNMFSOQ-HDICACEKSA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)C(C)C)C[C@@]2(C)C1 ZINC001403397366 1162872148 /nfs/dbraw/zinc/87/21/48/1162872148.db2.gz DYXNHOYVNMFSOQ-HDICACEKSA-N 1 3 309.498 2.153 20 0 DEADHO C[N@@H+]1CCCC[C@H]1C(=O)NCC1(NCC=C(Cl)Cl)CC1 ZINC001392926947 1157543841 /nfs/dbraw/zinc/54/38/41/1157543841.db2.gz VGPJSOTVPXCVCT-NSHDSACASA-N 1 3 320.264 2.028 20 0 DEADHO C[N@H+]1CCCC[C@H]1C(=O)NCC1(NCC=C(Cl)Cl)CC1 ZINC001392926947 1157543845 /nfs/dbraw/zinc/54/38/45/1157543845.db2.gz VGPJSOTVPXCVCT-NSHDSACASA-N 1 3 320.264 2.028 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001374031045 1157554519 /nfs/dbraw/zinc/55/45/19/1157554519.db2.gz RWBWZIWNHVHOGB-MRXNPFEDSA-N 1 3 317.477 2.321 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC1CC(C)(C)C1)N(C)C ZINC001403424022 1162878579 /nfs/dbraw/zinc/87/85/79/1162878579.db2.gz YBBUUQKZDCTQRF-ZBFHGGJFSA-N 1 3 311.514 2.493 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@@H](C)CNC(=O)CN(C)C(C)C ZINC001374111459 1157633026 /nfs/dbraw/zinc/63/30/26/1157633026.db2.gz DHDSQCKBOQMMLX-OAHLLOKOSA-N 1 3 305.466 2.177 20 0 DEADHO C[C@@H](NC[C@H](C)N(C)C(=O)CC[NH+](C)C)c1ccccc1F ZINC001374277848 1157797912 /nfs/dbraw/zinc/79/79/12/1157797912.db2.gz RMYSFFKDYSILJW-UONOGXRCSA-N 1 3 309.429 2.275 20 0 DEADHO CC[C@@H](F)CNC[C@@H](C)N(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001374306475 1157808202 /nfs/dbraw/zinc/80/82/02/1157808202.db2.gz MJRWOOIGWIMRIX-GDBMZVCRSA-N 1 3 315.477 2.291 20 0 DEADHO CC[C@@H](F)CNC[C@H](C)N(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001374306479 1157808420 /nfs/dbraw/zinc/80/84/20/1157808420.db2.gz MJRWOOIGWIMRIX-GOEBONIOSA-N 1 3 315.477 2.291 20 0 DEADHO Cc1cc(C[NH2+]C[C@H](C)N(C)C(=O)CN2CCCC2)cs1 ZINC001374323139 1157812486 /nfs/dbraw/zinc/81/24/86/1157812486.db2.gz APOXRSJLNCONPG-ZDUSSCGKSA-N 1 3 309.479 2.089 20 0 DEADHO CC[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1cnccc1C)N(C)C ZINC001393639589 1157892056 /nfs/dbraw/zinc/89/20/56/1157892056.db2.gz ATTBZTGSIUURHZ-KRWDZBQOSA-N 1 3 320.481 2.011 20 0 DEADHO CC[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1cnccc1C)N(C)C ZINC001393639589 1157892057 /nfs/dbraw/zinc/89/20/57/1157892057.db2.gz ATTBZTGSIUURHZ-KRWDZBQOSA-N 1 3 320.481 2.011 20 0 DEADHO Cc1ccc(F)c(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCCN2C)c1 ZINC001393798163 1157992966 /nfs/dbraw/zinc/99/29/66/1157992966.db2.gz RCYPGRHISHYUBW-YOEHRIQHSA-N 1 3 321.440 2.213 20 0 DEADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+][C@H]1CCc2ccccc21)N(C)C ZINC001393814277 1158006278 /nfs/dbraw/zinc/00/62/78/1158006278.db2.gz FBAKDGBDNMVJIJ-WBAXXEDZSA-N 1 3 317.477 2.499 20 0 DEADHO CC[N@H+](CC1CC1)CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001393860594 1158026627 /nfs/dbraw/zinc/02/66/27/1158026627.db2.gz RPGKUMUURCXRPM-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@@H+](CC1CC1)CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001393860594 1158026635 /nfs/dbraw/zinc/02/66/35/1158026635.db2.gz RPGKUMUURCXRPM-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@@H](C[NH2+]Cc1cccc(Cl)c1)NC(=O)CN(C)C1CCC1 ZINC001374898866 1158082430 /nfs/dbraw/zinc/08/24/30/1158082430.db2.gz KHDYDFLTSQLWHM-ZDUSSCGKSA-N 1 3 323.868 2.419 20 0 DEADHO C[C@@H](CNCc1ccc(Cl)s1)NC(=O)CCC[NH+](C)C ZINC001374927576 1158095466 /nfs/dbraw/zinc/09/54/66/1158095466.db2.gz XZWSFKKOLOXBND-NSHDSACASA-N 1 3 317.886 2.338 20 0 DEADHO C[C@@H]([NH2+]CC1CC1)[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001393992853 1158143136 /nfs/dbraw/zinc/14/31/36/1158143136.db2.gz FHBDUCFNBACXEQ-KGLIPLIRSA-N 1 3 303.450 2.255 20 0 DEADHO Cc1cccc(C[N@@H+](C)[C@H](C)CNC(=O)CN(C)C(C)C)c1 ZINC001394138503 1158330512 /nfs/dbraw/zinc/33/05/12/1158330512.db2.gz GZKFFJSDFLZHAS-MRXNPFEDSA-N 1 3 305.466 2.272 20 0 DEADHO Cc1cccc(C[N@H+](C)[C@H](C)CNC(=O)CN(C)C(C)C)c1 ZINC001394138503 1158330519 /nfs/dbraw/zinc/33/05/19/1158330519.db2.gz GZKFFJSDFLZHAS-MRXNPFEDSA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21)N(C)C ZINC001394342989 1158419384 /nfs/dbraw/zinc/41/93/84/1158419384.db2.gz QTPMRGGYGZPHSF-JONQDZQNSA-N 1 3 309.498 2.057 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21)N(C)C ZINC001394342989 1158419386 /nfs/dbraw/zinc/41/93/86/1158419386.db2.gz QTPMRGGYGZPHSF-JONQDZQNSA-N 1 3 309.498 2.057 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CCC2CC2)CN1C(=O)CN(C)CC(C)(C)C ZINC001394671014 1158664386 /nfs/dbraw/zinc/66/43/86/1158664386.db2.gz OXVLJHVFTOUYPM-GDBMZVCRSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](C(=O)NCC1(NC/C=C/Cl)CC1)[NH+]1CCCC1 ZINC001375553647 1158811168 /nfs/dbraw/zinc/81/11/68/1158811168.db2.gz DFKYDNVMMHGPMJ-LHRNQBEKSA-N 1 3 313.873 2.098 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](CC2CC2)CC(C)(C)C1 ZINC001375685643 1158848468 /nfs/dbraw/zinc/84/84/68/1158848468.db2.gz CVJCTVSKJLCRCZ-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1 ZINC001375685643 1158848469 /nfs/dbraw/zinc/84/84/69/1158848469.db2.gz CVJCTVSKJLCRCZ-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1cccc([C@@H](C)N(C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001403568966 1163008471 /nfs/dbraw/zinc/00/84/71/1163008471.db2.gz USRAZYDAUFFLIR-JFIYKMOQSA-N 1 3 317.477 2.444 20 0 DEADHO Cc1cccc([C@@H](C)N(C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001403568966 1163008479 /nfs/dbraw/zinc/00/84/79/1163008479.db2.gz USRAZYDAUFFLIR-JFIYKMOQSA-N 1 3 317.477 2.444 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccccc2)C1)N(C)C ZINC001376469138 1159453183 /nfs/dbraw/zinc/45/31/83/1159453183.db2.gz ICKNREHSDPYKBS-KSZLIROESA-N 1 3 317.477 2.052 20 0 DEADHO CC(C)N1Cc2ccc(CNC(=O)C[C@@H]3CC[N@H+](C)C3)cc2C1 ZINC001377210530 1160036693 /nfs/dbraw/zinc/03/66/93/1160036693.db2.gz DMHHWGRDADQABF-INIZCTEOSA-N 1 3 315.461 2.369 20 0 DEADHO CC(C)N1Cc2ccc(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)cc2C1 ZINC001377210530 1160036702 /nfs/dbraw/zinc/03/67/02/1160036702.db2.gz DMHHWGRDADQABF-INIZCTEOSA-N 1 3 315.461 2.369 20 0 DEADHO CCCN(C)CC(=O)NCC[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001377252272 1160081112 /nfs/dbraw/zinc/08/11/12/1160081112.db2.gz AXCMWEWEAQBNSB-UHFFFAOYSA-N 1 3 316.449 2.058 20 0 DEADHO CCCN(C)CC(=O)NCC[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001377252272 1160081125 /nfs/dbraw/zinc/08/11/25/1160081125.db2.gz AXCMWEWEAQBNSB-UHFFFAOYSA-N 1 3 316.449 2.058 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CC[N@H+](CCC2CC2)C1)N1CCCC1 ZINC001377445554 1160374779 /nfs/dbraw/zinc/37/47/79/1160374779.db2.gz LXSCSCSXWWHKKZ-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CC[N@@H+](CCC2CC2)C1)N1CCCC1 ZINC001377445554 1160374787 /nfs/dbraw/zinc/37/47/87/1160374787.db2.gz LXSCSCSXWWHKKZ-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC2)C1)N1CCCCCC1 ZINC001397677386 1160395260 /nfs/dbraw/zinc/39/52/60/1160395260.db2.gz QISQEIUBOIIHHL-DJIMGWMZSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC=C(Cl)Cl ZINC001377487945 1160419888 /nfs/dbraw/zinc/41/98/88/1160419888.db2.gz CUYBQKJTLHMJBF-NEPJUHHUSA-N 1 3 322.280 2.132 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC[N@H+](CCCF)CC(C)(C)C1)N(C)C ZINC001397805322 1160530230 /nfs/dbraw/zinc/53/02/30/1160530230.db2.gz HMDXZROEFUHJRJ-LSDHHAIUSA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC[N@@H+](CCCF)CC(C)(C)C1)N(C)C ZINC001397805322 1160530246 /nfs/dbraw/zinc/53/02/46/1160530246.db2.gz HMDXZROEFUHJRJ-LSDHHAIUSA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@H](C(=O)NCC[C@H]1CC[N@H+](CCC(F)(F)F)C1)N(C)C ZINC001377714757 1160777586 /nfs/dbraw/zinc/77/75/86/1160777586.db2.gz CWVQARPMELJPGD-QWHCGFSZSA-N 1 3 323.403 2.107 20 0 DEADHO CC[C@H](C(=O)NCC[C@H]1CC[N@@H+](CCC(F)(F)F)C1)N(C)C ZINC001377714757 1160777601 /nfs/dbraw/zinc/77/76/01/1160777601.db2.gz CWVQARPMELJPGD-QWHCGFSZSA-N 1 3 323.403 2.107 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCC(C)C)C1 ZINC001398283407 1160843589 /nfs/dbraw/zinc/84/35/89/1160843589.db2.gz CPJKNBWSPCRKLC-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](F)CC[NH+]1CC(CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001377971557 1160887463 /nfs/dbraw/zinc/88/74/63/1160887463.db2.gz PMXGFCMGCZNEOP-AWEZNQCLSA-N 1 3 313.461 2.047 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]([NH2+]CCC(C)(C)C)C1CC1 ZINC001398452444 1160895247 /nfs/dbraw/zinc/89/52/47/1160895247.db2.gz OKGNPZBSWGHZMZ-HNNXBMFYSA-N 1 3 306.454 2.181 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001398578108 1160997972 /nfs/dbraw/zinc/99/79/72/1160997972.db2.gz OGGLYABURCPZRC-JHJVBQTASA-N 1 3 321.387 2.050 20 0 DEADHO CCC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001398674911 1161050523 /nfs/dbraw/zinc/05/05/23/1161050523.db2.gz BVLZPFJPXJUPCJ-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CCC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001398674911 1161050531 /nfs/dbraw/zinc/05/05/31/1161050531.db2.gz BVLZPFJPXJUPCJ-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)[N@H+](C)[C@@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001378146955 1161055645 /nfs/dbraw/zinc/05/56/45/1161055645.db2.gz SFOCITAFMUOBJN-BBRMVZONSA-N 1 3 301.450 2.044 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](CCC(F)(F)F)C1)N(C)C ZINC001398708528 1161068416 /nfs/dbraw/zinc/06/84/16/1161068416.db2.gz QBEUPTSLSVBEIX-OLZOCXBDSA-N 1 3 323.403 2.107 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CCC(F)(F)F)C1)N(C)C ZINC001398708528 1161068424 /nfs/dbraw/zinc/06/84/24/1161068424.db2.gz QBEUPTSLSVBEIX-OLZOCXBDSA-N 1 3 323.403 2.107 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001398794183 1161104565 /nfs/dbraw/zinc/10/45/65/1161104565.db2.gz IONFZPMOKLSJFZ-GOEBONIOSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001398794183 1161104566 /nfs/dbraw/zinc/10/45/66/1161104566.db2.gz IONFZPMOKLSJFZ-GOEBONIOSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001398919552 1161150311 /nfs/dbraw/zinc/15/03/11/1161150311.db2.gz KJQZVBDELWGLME-PBHICJAKSA-N 1 3 321.440 2.293 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001399170460 1161266826 /nfs/dbraw/zinc/26/68/26/1161266826.db2.gz SKQMPLQBAGZMMW-CLOOOTJHSA-N 1 3 303.450 2.134 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCC2CCCC2)C1)N(C)C ZINC001399926066 1161609333 /nfs/dbraw/zinc/60/93/33/1161609333.db2.gz CBPMIAKRMXWCQJ-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCC2CCCC2)C1)N(C)C ZINC001399926066 1161609335 /nfs/dbraw/zinc/60/93/35/1161609335.db2.gz CBPMIAKRMXWCQJ-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)NCCF ZINC001400806735 1161825197 /nfs/dbraw/zinc/82/51/97/1161825197.db2.gz PWKAHCFSSFKQDY-CABCVRRESA-N 1 3 313.461 2.095 20 0 DEADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)NCCF ZINC001400806735 1161825198 /nfs/dbraw/zinc/82/51/98/1161825198.db2.gz PWKAHCFSSFKQDY-CABCVRRESA-N 1 3 313.461 2.095 20 0 DEADHO CC[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CC[C@H](C)F ZINC001400809423 1161825837 /nfs/dbraw/zinc/82/58/37/1161825837.db2.gz UPKBJJYNTYEWFM-LSDHHAIUSA-N 1 3 315.477 2.483 20 0 DEADHO CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCc1ccccc1F ZINC001400861897 1161836826 /nfs/dbraw/zinc/83/68/26/1161836826.db2.gz SRDWZEQFRVFBOH-INIZCTEOSA-N 1 3 321.440 2.152 20 0 DEADHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1csc(C)c1 ZINC001400866981 1161837703 /nfs/dbraw/zinc/83/77/03/1161837703.db2.gz UHACYHJBSXMARF-CJNGLKHVSA-N 1 3 323.506 2.383 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001401148563 1161882946 /nfs/dbraw/zinc/88/29/46/1161882946.db2.gz XPJZSDVNQZKBGZ-MAUKXSAKSA-N 1 3 319.493 2.423 20 0 DEADHO Cc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)CN2CCCC2)c1 ZINC001401259679 1161908079 /nfs/dbraw/zinc/90/80/79/1161908079.db2.gz NFXVPUPNZKYPRE-MRXNPFEDSA-N 1 3 303.450 2.027 20 0 DEADHO CN(CC[N@H+](C)CC1CC2(CCC2)C1)C(=O)CN(C)C1CCC1 ZINC001401367053 1161954841 /nfs/dbraw/zinc/95/48/41/1161954841.db2.gz GCWCTAZWSCHCAA-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CN(CC[N@@H+](C)CC1CC2(CCC2)C1)C(=O)CN(C)C1CCC1 ZINC001401367053 1161954859 /nfs/dbraw/zinc/95/48/59/1161954859.db2.gz GCWCTAZWSCHCAA-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H](C[NH2+]CC1CCC2(CC2)CC1)NC(=O)CN1CC[C@H](C)C1 ZINC001401645742 1162057756 /nfs/dbraw/zinc/05/77/56/1162057756.db2.gz AZVUKZMJXBKXFJ-JKSUJKDBSA-N 1 3 321.509 2.393 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(C)cc1 ZINC001401673618 1162069977 /nfs/dbraw/zinc/06/99/77/1162069977.db2.gz RQYLBOJNBHKQPS-AEFFLSMTSA-N 1 3 317.477 2.464 20 0 DEADHO C[C@H](C[N@H+](C)CCCF)NC(=O)c1cccc(CN(C)C)c1 ZINC001401830831 1162147883 /nfs/dbraw/zinc/14/78/83/1162147883.db2.gz TYAURIACMGJFAL-CQSZACIVSA-N 1 3 309.429 2.158 20 0 DEADHO C[C@H](C[N@@H+](C)CCCF)NC(=O)c1cccc(CN(C)C)c1 ZINC001401830831 1162147884 /nfs/dbraw/zinc/14/78/84/1162147884.db2.gz TYAURIACMGJFAL-CQSZACIVSA-N 1 3 309.429 2.158 20 0 DEADHO O=C(CCC[NH+]1CCCC1)NCC1(NCc2ccccc2)CC1 ZINC001401983203 1162207281 /nfs/dbraw/zinc/20/72/81/1162207281.db2.gz BWQMRNBCZWSITR-UHFFFAOYSA-N 1 3 315.461 2.301 20 0 DEADHO CC(C)N(C)CC(=O)N[C@](C)(C[NH2+]CC1CCCC1)C1CC1 ZINC001405471175 1164108671 /nfs/dbraw/zinc/10/86/71/1164108671.db2.gz GCILLYYWITVPKF-GOSISDBHSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)[C@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1cccc(F)c1 ZINC001406088541 1164436515 /nfs/dbraw/zinc/43/65/15/1164436515.db2.gz XUTLDPVJOQLAGC-KRWDZBQOSA-N 1 3 323.456 2.396 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]21 ZINC001406184553 1164496737 /nfs/dbraw/zinc/49/67/37/1164496737.db2.gz MQVYBCIZFNJTIP-CVEARBPZSA-N 1 3 309.498 2.297 20 0 DEADHO CCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]21 ZINC001406184553 1164496740 /nfs/dbraw/zinc/49/67/40/1164496740.db2.gz MQVYBCIZFNJTIP-CVEARBPZSA-N 1 3 309.498 2.297 20 0 DEADHO CCCC[NH+]1CCC2(CCN(C(=O)CN(C)C(C)C)C2)CC1 ZINC001407026190 1164930915 /nfs/dbraw/zinc/93/09/15/1164930915.db2.gz LQLUBAROUCJJRI-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO Cc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)CN(C)C(C)C)cs1 ZINC001407115383 1164986604 /nfs/dbraw/zinc/98/66/04/1164986604.db2.gz ZTGIMRBKXGKCDG-INIZCTEOSA-N 1 3 323.506 2.477 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)CCN1Cc1ccc(F)cc1 ZINC001408181836 1165521459 /nfs/dbraw/zinc/52/14/59/1165521459.db2.gz KVZJZJZTOYAAIV-YOEHRIQHSA-N 1 3 321.440 2.247 20 0 DEADHO CN(CC(=O)N1CCC[C@H]1C[N@H+](C)CCCF)CC(C)(C)C ZINC001408358717 1165613123 /nfs/dbraw/zinc/61/31/23/1165613123.db2.gz WZBVIOAWYLPULY-HNNXBMFYSA-N 1 3 315.477 2.247 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2C)C1)N(C)C ZINC001417776462 1167205806 /nfs/dbraw/zinc/20/58/06/1167205806.db2.gz GBMVXMSNWRCSAD-JQHSSLGASA-N 1 3 317.477 2.320 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC[N@@H+]1CCC1CC1 ZINC001417826947 1167239670 /nfs/dbraw/zinc/23/96/70/1167239670.db2.gz ONUICVOLCFJEOO-GVDBMIGSSA-N 1 3 309.498 2.342 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC[N@H+]1CCC1CC1 ZINC001417826947 1167239677 /nfs/dbraw/zinc/23/96/77/1167239677.db2.gz ONUICVOLCFJEOO-GVDBMIGSSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)CC[NH+]1CCC(N(C)C(=O)CN(C)C2CCC2)CC1 ZINC001417896954 1167290891 /nfs/dbraw/zinc/29/08/91/1167290891.db2.gz UXXQYZYQSCUQEI-UHFFFAOYSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001418049770 1167382490 /nfs/dbraw/zinc/38/24/90/1167382490.db2.gz GLZCJPWKJZIRTE-RDJZCZTQSA-N 1 3 303.450 2.278 20 0 DEADHO CCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001418174659 1167462501 /nfs/dbraw/zinc/46/25/01/1167462501.db2.gz MVZFDVBFVDBALR-UKRRQHHQSA-N 1 3 306.454 2.277 20 0 DEADHO CCCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001418174659 1167462504 /nfs/dbraw/zinc/46/25/04/1167462504.db2.gz MVZFDVBFVDBALR-UKRRQHHQSA-N 1 3 306.454 2.277 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(CF)cc1 ZINC001418232167 1167507446 /nfs/dbraw/zinc/50/74/46/1167507446.db2.gz CFUMBJDTOUVZFV-CQSZACIVSA-N 1 3 321.440 2.235 20 0 DEADHO C[C@@H](F)CCN1CC[C@@H]1CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001418601012 1167836169 /nfs/dbraw/zinc/83/61/69/1167836169.db2.gz INZCCVNJBOKRNT-HZPDHXFCSA-N 1 3 313.461 2.143 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC=C(Cl)Cl)C1 ZINC001418666111 1167873086 /nfs/dbraw/zinc/87/30/86/1167873086.db2.gz LQCIJMORCVPYBP-TXEJJXNPSA-N 1 3 322.280 2.130 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](CC1CCC1)C1CC1 ZINC001418798517 1167968250 /nfs/dbraw/zinc/96/82/50/1167968250.db2.gz IGAFKOPQNKXDHX-KRWDZBQOSA-N 1 3 307.482 2.242 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](CC1CCC1)C1CC1 ZINC001418798517 1167968258 /nfs/dbraw/zinc/96/82/58/1167968258.db2.gz IGAFKOPQNKXDHX-KRWDZBQOSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCCN1C)c1ccccc1 ZINC001418819644 1167987319 /nfs/dbraw/zinc/98/73/19/1167987319.db2.gz YZEZSICKSJGWKT-IAGOWNOFSA-N 1 3 303.450 2.280 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001418908374 1168059955 /nfs/dbraw/zinc/05/99/55/1168059955.db2.gz OBJFKCLJMZDMKZ-IAGOWNOFSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[N@H+](C(C)C)C1 ZINC001418908374 1168059959 /nfs/dbraw/zinc/05/99/59/1168059959.db2.gz OBJFKCLJMZDMKZ-IAGOWNOFSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]([NH2+]Cc2ccsc2)C2CC2)C1 ZINC001419288722 1168376898 /nfs/dbraw/zinc/37/68/98/1168376898.db2.gz DJTRFSXGYYRPNX-BBRMVZONSA-N 1 3 321.490 2.074 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]([NH2+]Cc2ccsc2)C2CC2)C1 ZINC001419288727 1168377163 /nfs/dbraw/zinc/37/71/63/1168377163.db2.gz DJTRFSXGYYRPNX-CJNGLKHVSA-N 1 3 321.490 2.074 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]([NH2+]C/C=C\Cl)C2)c1 ZINC001419432044 1168469868 /nfs/dbraw/zinc/46/98/68/1168469868.db2.gz AQJOFHRIEHGUFO-DXWSVVLPSA-N 1 3 321.852 2.351 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCC1)N(C)C ZINC001419605240 1168663383 /nfs/dbraw/zinc/66/33/83/1168663383.db2.gz AYWIYOHFGZWNPM-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCC1)N(C)C ZINC001419605240 1168663404 /nfs/dbraw/zinc/66/34/04/1168663404.db2.gz AYWIYOHFGZWNPM-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)NC1CCC([NH2+]Cc2cncs2)CC1 ZINC001419670203 1168782826 /nfs/dbraw/zinc/78/28/26/1168782826.db2.gz CVBWKIYQSCMBNZ-UHFFFAOYSA-N 1 3 324.494 2.000 20 0 DEADHO CC[C@H](F)C[NH2+][C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001419744828 1168829634 /nfs/dbraw/zinc/82/96/34/1168829634.db2.gz JJLKIKUSZHJFFL-KBPBESRZSA-N 1 3 301.450 2.093 20 0 DEADHO CC[C@@H](F)C[NH2+][C@@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001419930095 1168948795 /nfs/dbraw/zinc/94/87/95/1168948795.db2.gz NZNVXMVWQMPIAO-XJKSGUPXSA-N 1 3 309.429 2.204 20 0 DEADHO CCN(CC[NH2+][C@H](C)c1ccc(F)cc1)C(=O)[C@H]1CCCN1C ZINC001420242754 1169273380 /nfs/dbraw/zinc/27/33/80/1169273380.db2.gz SIJOLPOWVUVYEV-RHSMWYFYSA-N 1 3 321.440 2.419 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)NC(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001420436548 1169547809 /nfs/dbraw/zinc/54/78/09/1169547809.db2.gz KTIDXWJLUFGIDB-INIZCTEOSA-N 1 3 317.477 2.382 20 0 DEADHO Cc1ccc(F)c(CNC[C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001420510269 1169690622 /nfs/dbraw/zinc/69/06/22/1169690622.db2.gz XRJVSYZTPUBZGT-GJZGRUSLSA-N 1 3 321.440 2.070 20 0 DEADHO Cc1ccc(F)c(CNC[C@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001420510269 1169690630 /nfs/dbraw/zinc/69/06/30/1169690630.db2.gz XRJVSYZTPUBZGT-GJZGRUSLSA-N 1 3 321.440 2.070 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@H]1CCN(Cc2cccc(Cl)c2)C1 ZINC001420536996 1169743407 /nfs/dbraw/zinc/74/34/07/1169743407.db2.gz LRDNYZZOSCZQRH-OAHLLOKOSA-N 1 3 323.868 2.230 20 0 DEADHO C[C@H](C[N@H+](C)CC1CC(C)C1)NC(=O)C(C)(C)N1CCCC1 ZINC001420615092 1169829087 /nfs/dbraw/zinc/82/90/87/1169829087.db2.gz RVGKTQJYIGCOSK-HWOWSKLDSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](C[N@@H+](C)CC1CC(C)C1)NC(=O)C(C)(C)N1CCCC1 ZINC001420615092 1169829088 /nfs/dbraw/zinc/82/90/88/1169829088.db2.gz RVGKTQJYIGCOSK-HWOWSKLDSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@H](C)c1ccccc1C ZINC001420736291 1171093908 /nfs/dbraw/zinc/09/39/08/1171093908.db2.gz CTLFIHJTQACCRM-MRXNPFEDSA-N 1 3 305.466 2.446 20 0 DEADHO CC[C@H](C(=O)N[C@H](C[NH2+]Cc1cccc(F)c1)C1CC1)N(C)C ZINC001420783830 1171151563 /nfs/dbraw/zinc/15/15/63/1171151563.db2.gz KZMSSLYASKWYDQ-IAGOWNOFSA-N 1 3 321.440 2.150 20 0 DEADHO Cc1cccc(C[NH2+]C2(CNC(=O)CN(C)C3CCC3)CC2)c1 ZINC001420960209 1171381877 /nfs/dbraw/zinc/38/18/77/1171381877.db2.gz PYZNEZNRWPJOGG-UHFFFAOYSA-N 1 3 315.461 2.218 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2ccc(C)cc2)CC1 ZINC001420996063 1171413527 /nfs/dbraw/zinc/41/35/27/1171413527.db2.gz UKPOTMCDPSOSFG-UHFFFAOYSA-N 1 3 303.450 2.075 20 0 DEADHO CC(C)N(C)CC(=O)NC1(C)CC[NH+](CC[C@@H](C)F)CC1 ZINC001421160935 1171541359 /nfs/dbraw/zinc/54/13/59/1171541359.db2.gz VWDUURAELQBYFQ-CQSZACIVSA-N 1 3 301.450 2.045 20 0 DEADHO CC[C@H](CNC(=O)[C@H]1CCCCN1C(C)C)[NH2+]C/C=C/Cl ZINC001421459123 1171808315 /nfs/dbraw/zinc/80/83/15/1171808315.db2.gz XIUBZXHRHZZFOY-VIGJRRFGSA-N 1 3 315.889 2.486 20 0 DEADHO C[C@@H](C[NH2+]CC1CC2(CCC2)C1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001421900541 1172105769 /nfs/dbraw/zinc/10/57/69/1172105769.db2.gz CYVOIPPZRUQZPB-HNNXBMFYSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](C[NH2+]CC1CCC(C)CC1)N(C)C(=O)CN1CCCC1 ZINC001421988036 1172211053 /nfs/dbraw/zinc/21/10/53/1172211053.db2.gz GGBDZIXEMJECKP-CGZBRXJRSA-N 1 3 309.498 2.345 20 0 DEADHO COCc1ccc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC001422669859 1172801988 /nfs/dbraw/zinc/80/19/88/1172801988.db2.gz WCJZEMJJQFAECA-GOSISDBHSA-N 1 3 318.461 2.424 20 0 DEADHO CN(C)CC1(C[NH2+]Cc2ccc3c(c2)nnn3C)CCCC1 ZINC001422783850 1172860328 /nfs/dbraw/zinc/86/03/28/1172860328.db2.gz AZJQUAUORPBFIN-UHFFFAOYSA-N 1 3 301.438 2.180 20 0 DEADHO C[C@H](C[N@H+](C)CC1CC(C)(C)C1)NC(=O)CN1CC[C@@H](C)C1 ZINC001422876604 1172892944 /nfs/dbraw/zinc/89/29/44/1172892944.db2.gz LWXGUIXGFVKFHH-HUUCEWRRSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@H](C[N@@H+](C)CC1CC(C)(C)C1)NC(=O)CN1CC[C@@H](C)C1 ZINC001422876604 1172892946 /nfs/dbraw/zinc/89/29/46/1172892946.db2.gz LWXGUIXGFVKFHH-HUUCEWRRSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)C[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001422920507 1172935922 /nfs/dbraw/zinc/93/59/22/1172935922.db2.gz XDBQEVLMYXSYAV-XMTFNYHQSA-N 1 3 323.525 2.495 20 0 DEADHO Cc1ccccc1C[NH2+][C@H](C)CN(C)C(=O)CN(C)C(C)C ZINC001423172309 1173142420 /nfs/dbraw/zinc/14/24/20/1173142420.db2.gz OMDNBGITJFWCLI-MRXNPFEDSA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCC(F)(F)F)C(C)(C)C1)N(C)C ZINC001423408119 1173335706 /nfs/dbraw/zinc/33/57/06/1173335706.db2.gz XGMRISDLHRGLNX-NWDGAFQWSA-N 1 3 323.403 2.106 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCCC1)C2 ZINC001423931270 1173579223 /nfs/dbraw/zinc/57/92/23/1173579223.db2.gz PAUWWUAHYVYSSN-KSZLIROESA-N 1 3 321.509 2.488 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCCC1)C2 ZINC001423931270 1173579230 /nfs/dbraw/zinc/57/92/30/1173579230.db2.gz PAUWWUAHYVYSSN-KSZLIROESA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)C1(C(=O)NCC2([NH2+]Cc3ccsc3)CCC2)CCC1 ZINC001424185687 1173690177 /nfs/dbraw/zinc/69/01/77/1173690177.db2.gz RPAXEXCBHJHZRZ-UHFFFAOYSA-N 1 3 321.490 2.361 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](CC[C@H](C)F)CC1(C)C ZINC001424514971 1173816803 /nfs/dbraw/zinc/81/68/03/1173816803.db2.gz RYVDRJMKGLXAPN-GJZGRUSLSA-N 1 3 315.477 2.293 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](CC[C@H](C)F)CC1(C)C ZINC001424514971 1173816807 /nfs/dbraw/zinc/81/68/07/1173816807.db2.gz RYVDRJMKGLXAPN-GJZGRUSLSA-N 1 3 315.477 2.293 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001424788260 1173929689 /nfs/dbraw/zinc/92/96/89/1173929689.db2.gz FJFDRCQEEHRDID-KBPBESRZSA-N 1 3 321.440 2.293 20 0 DEADHO Cc1cccc(C[N@@H+](C)[C@@H](C)CNC(=O)CN2CC[C@H](C)C2)c1 ZINC001425013285 1174108221 /nfs/dbraw/zinc/10/82/21/1174108221.db2.gz RHRYVYJANCAMJS-IRXDYDNUSA-N 1 3 317.477 2.273 20 0 DEADHO Cc1cccc(C[N@H+](C)[C@@H](C)CNC(=O)CN2CC[C@H](C)C2)c1 ZINC001425013285 1174108228 /nfs/dbraw/zinc/10/82/28/1174108228.db2.gz RHRYVYJANCAMJS-IRXDYDNUSA-N 1 3 317.477 2.273 20 0 DEADHO C[C@H](NC(=O)C(C)(C)N1CCCCC1)C1C[NH+](CC2CCC2)C1 ZINC001425226019 1174246556 /nfs/dbraw/zinc/24/65/56/1174246556.db2.gz VAAPMXLFFDCDRZ-HNNXBMFYSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001425960065 1174538851 /nfs/dbraw/zinc/53/88/51/1174538851.db2.gz QCOPNJZFURCKKX-HZPDHXFCSA-N 1 3 309.498 2.391 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]C/C=C\Cl)C1 ZINC001426244509 1174667459 /nfs/dbraw/zinc/66/74/59/1174667459.db2.gz IVGKCXSQFYSZDB-FXODUFCOSA-N 1 3 313.873 2.192 20 0 DEADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C1(N(C)C)CCCC1 ZINC001433662200 1177918443 /nfs/dbraw/zinc/91/84/43/1177918443.db2.gz FZWBXDKNRZAJGV-OAGGEKHMSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1ccc(CC[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001436883792 1179289394 /nfs/dbraw/zinc/28/93/94/1179289394.db2.gz YQNMDWOVGLIVOK-SFHVURJKSA-N 1 3 317.477 2.068 20 0 DEADHO C[C@@H](F)CCN(C)CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001437500470 1179826125 /nfs/dbraw/zinc/82/61/25/1179826125.db2.gz XRMDECJMQJZDHS-OAHLLOKOSA-N 1 3 315.477 2.295 20 0 DEADHO C[C@@H]([NH2+]CCN(C)C(=O)CN(C)C1CCC1)c1cccc(F)c1 ZINC001437853389 1180031261 /nfs/dbraw/zinc/03/12/61/1180031261.db2.gz ZBOJOHXFCOMFKK-CQSZACIVSA-N 1 3 321.440 2.419 20 0 DEADHO CC1CC(C[NH+]2CC(CNC(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001438126990 1180206770 /nfs/dbraw/zinc/20/67/70/1180206770.db2.gz ZDWLRWKAROKHON-UHFFFAOYSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1C[NH+](CCCC2CCC2)C1 ZINC001438158399 1180219056 /nfs/dbraw/zinc/21/90/56/1180219056.db2.gz JQHQOGXFZOCJJC-IYBDPMFKSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](CNC(=O)[C@H]1CCCCN1CC)[NH2+]Cc1cncs1 ZINC001438373073 1180377876 /nfs/dbraw/zinc/37/78/76/1180377876.db2.gz JZSJEJXFVGMWEG-UKRRQHHQSA-N 1 3 324.494 2.002 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncs2)CC1 ZINC001438444388 1180436747 /nfs/dbraw/zinc/43/67/47/1180436747.db2.gz CVBWKIYQSCMBNZ-HDJSIYSDSA-N 1 3 324.494 2.000 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)CN(C)C2CCC2)cc1 ZINC001438501172 1180499444 /nfs/dbraw/zinc/49/94/44/1180499444.db2.gz VBSYAZPQFWRLLA-INIZCTEOSA-N 1 3 317.477 2.321 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[N@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001438935258 1180857305 /nfs/dbraw/zinc/85/73/05/1180857305.db2.gz CQIKSUHYLSVUFJ-CQSZACIVSA-N 1 3 319.440 2.152 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[N@@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001438935258 1180857306 /nfs/dbraw/zinc/85/73/06/1180857306.db2.gz CQIKSUHYLSVUFJ-CQSZACIVSA-N 1 3 319.440 2.152 20 0 DEADHO CCc1cccc(C[N@H+](C)CCN(C)C(=O)CN(C)C(C)C)c1 ZINC001438935220 1180857507 /nfs/dbraw/zinc/85/75/07/1180857507.db2.gz BZDFMJLNJAULHM-UHFFFAOYSA-N 1 3 319.493 2.479 20 0 DEADHO CCc1cccc(C[N@@H+](C)CCN(C)C(=O)CN(C)C(C)C)c1 ZINC001438935220 1180857509 /nfs/dbraw/zinc/85/75/09/1180857509.db2.gz BZDFMJLNJAULHM-UHFFFAOYSA-N 1 3 319.493 2.479 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[N@H+](C)[C@H]1CCc2ccccc21 ZINC001438939266 1180859421 /nfs/dbraw/zinc/85/94/21/1180859421.db2.gz UDOGLCHCRUUTDV-SFHVURJKSA-N 1 3 317.477 2.404 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001438939266 1180859424 /nfs/dbraw/zinc/85/94/24/1180859424.db2.gz UDOGLCHCRUUTDV-SFHVURJKSA-N 1 3 317.477 2.404 20 0 DEADHO C[C@H](C[N@H+](C)CC1CCCCC1)NC(=O)CN(C)C1CCC1 ZINC001439329927 1181023991 /nfs/dbraw/zinc/02/39/91/1181023991.db2.gz HLRMOUKHYXEWNR-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](C[N@@H+](C)CC1CCCCC1)NC(=O)CN(C)C1CCC1 ZINC001439329927 1181023996 /nfs/dbraw/zinc/02/39/96/1181023996.db2.gz HLRMOUKHYXEWNR-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](C[N@H+](C)CC1CCCCC1)NC(=O)CN(C)C1CCC1 ZINC001439329926 1181024494 /nfs/dbraw/zinc/02/44/94/1181024494.db2.gz HLRMOUKHYXEWNR-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](C[N@@H+](C)CC1CCCCC1)NC(=O)CN(C)C1CCC1 ZINC001439329926 1181024499 /nfs/dbraw/zinc/02/44/99/1181024499.db2.gz HLRMOUKHYXEWNR-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NC[C@H]1CC[N@@H+]1CC1CCCC1 ZINC001439535001 1181130426 /nfs/dbraw/zinc/13/04/26/1181130426.db2.gz HSYXIXKQMXOLFD-CVEARBPZSA-N 1 3 313.461 2.047 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NC[C@H]1CC[N@H+]1CC1CCCC1 ZINC001439535001 1181130431 /nfs/dbraw/zinc/13/04/31/1181130431.db2.gz HSYXIXKQMXOLFD-CVEARBPZSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)[C@H](C(=O)NCC1(NCc2cccc(F)c2)CC1)[NH+](C)C ZINC001439643057 1181182972 /nfs/dbraw/zinc/18/29/72/1181182972.db2.gz ANFPBYRJYICMRC-MRXNPFEDSA-N 1 3 321.440 2.150 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001440133011 1181363935 /nfs/dbraw/zinc/36/39/35/1181363935.db2.gz YBTPNSCCUYZVHF-QDMKHBRRSA-N 1 3 304.438 2.028 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001440133011 1181363944 /nfs/dbraw/zinc/36/39/44/1181363944.db2.gz YBTPNSCCUYZVHF-QDMKHBRRSA-N 1 3 304.438 2.028 20 0 DEADHO C[C@@H](F)CC[NH2+]C1(C)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001440597588 1181606307 /nfs/dbraw/zinc/60/63/07/1181606307.db2.gz HLLFLVQUZIVGLN-CQSZACIVSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)CCC1CCCC1 ZINC001440937066 1181783790 /nfs/dbraw/zinc/78/37/90/1181783790.db2.gz PSFONMYJYHVHJH-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)CCC1CCCC1 ZINC001440937066 1181783794 /nfs/dbraw/zinc/78/37/94/1181783794.db2.gz PSFONMYJYHVHJH-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](CC[NH+](C)C)C(=O)NCCCN1CCc2ccccc2C1 ZINC001441298370 1181935700 /nfs/dbraw/zinc/93/57/00/1181935700.db2.gz PELRLEAYMXSXOO-INIZCTEOSA-N 1 3 317.477 2.139 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(CC)cc2)C1 ZINC001441360745 1181956982 /nfs/dbraw/zinc/95/69/82/1181956982.db2.gz DBSAJTAHSGPLGX-SFHVURJKSA-N 1 3 317.477 2.281 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]CCc1ccccc1F ZINC001441647890 1182111487 /nfs/dbraw/zinc/11/14/87/1182111487.db2.gz CVHFOPIBASDEAT-OAHLLOKOSA-N 1 3 323.456 2.145 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001441844628 1182210754 /nfs/dbraw/zinc/21/07/54/1182210754.db2.gz HUEJBDDDGADVFP-HOCLYGCPSA-N 1 3 309.498 2.390 20 0 DEADHO CCc1cccc(C[NH2+][C@@H](C)CNC(=O)[C@@H](CC)N(C)C)c1 ZINC001441848603 1182213165 /nfs/dbraw/zinc/21/31/65/1182213165.db2.gz GHYIFNKHSPBKTL-WMLDXEAASA-N 1 3 305.466 2.184 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccccc2)C[C@H]1C ZINC001441880721 1182231117 /nfs/dbraw/zinc/23/11/17/1182231117.db2.gz SXSFBUHPSLBKKJ-NVXWUHKLSA-N 1 3 303.450 2.107 20 0 DEADHO C[C@@H](N[C@@H](C)CNC(=O)CCC[NH+](C)C)c1ccccc1F ZINC001441948097 1182265033 /nfs/dbraw/zinc/26/50/33/1182265033.db2.gz AGEMWQVKNWHUCC-UONOGXRCSA-N 1 3 309.429 2.323 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001442005542 1182282386 /nfs/dbraw/zinc/28/23/86/1182282386.db2.gz FYUUXBTWFGOIJP-WFASDCNBSA-N 1 3 311.857 2.275 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C1CC[NH+](CC2CCC2)CC1 ZINC001442205861 1182366497 /nfs/dbraw/zinc/36/64/97/1182366497.db2.gz VLIIVQHKTGJDNZ-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1cc(Cl)ccc1CN(C)CCNC(=O)CC[NH+](C)C ZINC001442505864 1182504062 /nfs/dbraw/zinc/50/40/62/1182504062.db2.gz WJEMJSRVMDXNTF-UHFFFAOYSA-N 1 3 311.857 2.148 20 0 DEADHO CC[N@H+](C)CCC(=O)NCCN(C)Cc1c(C)cccc1C ZINC001442573359 1182546190 /nfs/dbraw/zinc/54/61/90/1182546190.db2.gz WBKBZSVVVBKDIG-UHFFFAOYSA-N 1 3 305.466 2.193 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCCN(C)Cc1c(C)cccc1C ZINC001442573359 1182546200 /nfs/dbraw/zinc/54/62/00/1182546200.db2.gz WBKBZSVVVBKDIG-UHFFFAOYSA-N 1 3 305.466 2.193 20 0 DEADHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCc1ccccc1 ZINC001443990682 1183243821 /nfs/dbraw/zinc/24/38/21/1183243821.db2.gz VHJBSEODADOOJR-SJLPKXTDSA-N 1 3 317.477 2.055 20 0 DEADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCc1ccccc1Cl ZINC001444044229 1183271239 /nfs/dbraw/zinc/27/12/39/1183271239.db2.gz RVNJIHCVTSMWOK-GJZGRUSLSA-N 1 3 323.868 2.276 20 0 DEADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1ccccc1Cl ZINC001444044229 1183271242 /nfs/dbraw/zinc/27/12/42/1183271242.db2.gz RVNJIHCVTSMWOK-GJZGRUSLSA-N 1 3 323.868 2.276 20 0 DEADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCc1ccccc1Cl ZINC001444044236 1183271523 /nfs/dbraw/zinc/27/15/23/1183271523.db2.gz RVNJIHCVTSMWOK-LSDHHAIUSA-N 1 3 323.868 2.276 20 0 DEADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1ccccc1Cl ZINC001444044236 1183271528 /nfs/dbraw/zinc/27/15/28/1183271528.db2.gz RVNJIHCVTSMWOK-LSDHHAIUSA-N 1 3 323.868 2.276 20 0 DEADHO C[C@H](C[NH2+][C@H]1CCc2ccccc21)N(C)C(=O)Cc1c[nH]cn1 ZINC001444677220 1183513834 /nfs/dbraw/zinc/51/38/34/1183513834.db2.gz DRCFXWVYDKKHPS-DYVFJYSZSA-N 1 3 312.417 2.076 20 0 DEADHO C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1)c1ccc(F)cc1 ZINC001444728713 1183533234 /nfs/dbraw/zinc/53/32/34/1183533234.db2.gz NYLOZCRSDMKVIO-LSDHHAIUSA-N 1 3 321.440 2.419 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCC(F)(F)F)[C@H](C)C1 ZINC001444792974 1183556175 /nfs/dbraw/zinc/55/61/75/1183556175.db2.gz RWRNJXMIUVZSCG-CHWSQXEVSA-N 1 3 323.403 2.107 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)CC[N@H+](C)CCc2cccs2)C1 ZINC001445035444 1183729396 /nfs/dbraw/zinc/72/93/96/1183729396.db2.gz QDFBPPVWTONGNU-HNNXBMFYSA-N 1 3 323.506 2.023 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)CC[N@@H+](C)CCc2cccs2)C1 ZINC001445035444 1183729401 /nfs/dbraw/zinc/72/94/01/1183729401.db2.gz QDFBPPVWTONGNU-HNNXBMFYSA-N 1 3 323.506 2.023 20 0 DEADHO C[C@@H](c1ccccc1)N(C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001445072845 1183758907 /nfs/dbraw/zinc/75/89/07/1183758907.db2.gz ROMKANKBGFZFHW-INIZCTEOSA-N 1 3 315.461 2.234 20 0 DEADHO C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]1CNC/C(Cl)=C\Cl ZINC001445114902 1183781238 /nfs/dbraw/zinc/78/12/38/1183781238.db2.gz PYTZNWNIDNMGDP-HIZVYSOWSA-N 1 3 322.280 2.132 20 0 DEADHO Cc1ccc(F)c(CNC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC001445484245 1183884164 /nfs/dbraw/zinc/88/41/64/1183884164.db2.gz VVCYLLAGUORVTD-PBHICJAKSA-N 1 3 323.456 2.315 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001445573845 1183912579 /nfs/dbraw/zinc/91/25/79/1183912579.db2.gz HUFXKCQEBHKFHE-SWLSCSKDSA-N 1 3 311.857 2.275 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCCC1)N(C)C ZINC001446062049 1184205450 /nfs/dbraw/zinc/20/54/50/1184205450.db2.gz XVXBILYEOIAVON-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+]1CC1CCCCC1)N(C)C ZINC001446062049 1184205456 /nfs/dbraw/zinc/20/54/56/1184205456.db2.gz XVXBILYEOIAVON-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](F)CN1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)CC ZINC001447039437 1184614840 /nfs/dbraw/zinc/61/48/40/1184614840.db2.gz KDLDXVLFSCHRPA-XHSDSOJGSA-N 1 3 313.461 2.142 20 0 DEADHO CC[C@H](F)CN1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001447039437 1184614845 /nfs/dbraw/zinc/61/48/45/1184614845.db2.gz KDLDXVLFSCHRPA-XHSDSOJGSA-N 1 3 313.461 2.142 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccsc2)C1 ZINC001447533504 1184802896 /nfs/dbraw/zinc/80/28/96/1184802896.db2.gz CYNMPZDDPMLCJE-DZGCQCFKSA-N 1 3 309.479 2.026 20 0 DEADHO CC[C@H](C(=O)N1CCC(C)([NH2+]CC[C@H](C)F)CC1)N(C)C ZINC001447548015 1184807413 /nfs/dbraw/zinc/80/74/13/1184807413.db2.gz XFNYNMGVVMIGMG-UONOGXRCSA-N 1 3 301.450 2.045 20 0 DEADHO C[C@H](NC(=O)CN(C)C1CCC1)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC001448303601 1185155241 /nfs/dbraw/zinc/15/52/41/1185155241.db2.gz KLODYONDKIAIIX-AWEZNQCLSA-N 1 3 321.509 2.343 20 0 DEADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCN2CCCC(C)(C)C2)C1 ZINC001448507215 1185264203 /nfs/dbraw/zinc/26/42/03/1185264203.db2.gz GPENVNJEELLDOA-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCN2CCCC(C)(C)C2)C1 ZINC001448507217 1185264478 /nfs/dbraw/zinc/26/44/78/1185264478.db2.gz GPENVNJEELLDOA-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]CC1CC1)C1CC1 ZINC001448605067 1185318555 /nfs/dbraw/zinc/31/85/55/1185318555.db2.gz SZZBJOQXURUZJT-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1C[C@@H](NCc2ccsc2)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001449027050 1185495847 /nfs/dbraw/zinc/49/58/47/1185495847.db2.gz NKLXOFVDCDGPRO-DZGCQCFKSA-N 1 3 321.490 2.169 20 0 DEADHO CC(C)N(CCN(C)Cc1ccccc1)C(=O)CC[NH+](C)C ZINC001449263813 1185599135 /nfs/dbraw/zinc/59/91/35/1185599135.db2.gz BXVIHUXFCBCPIH-UHFFFAOYSA-N 1 3 305.466 2.307 20 0 DEADHO CC(C)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)N(C)C ZINC001370581532 1149813945 /nfs/dbraw/zinc/81/39/45/1149813945.db2.gz HOVSYDZNCKJRNI-NPYXIHBLSA-N 1 3 307.482 2.094 20 0 DEADHO CC(C)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)N(C)C ZINC001370581532 1149813946 /nfs/dbraw/zinc/81/39/46/1149813946.db2.gz HOVSYDZNCKJRNI-NPYXIHBLSA-N 1 3 307.482 2.094 20 0 DEADHO CC(C)=CCN1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001332197396 1149833037 /nfs/dbraw/zinc/83/30/37/1149833037.db2.gz BJMRZGKUENMCEB-HOTGVXAUSA-N 1 3 307.482 2.264 20 0 DEADHO CC/C=C\CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC001332425268 1149859154 /nfs/dbraw/zinc/85/91/54/1149859154.db2.gz ZDQCJYFHBKACGU-IYKSTZQJSA-N 1 3 304.438 2.135 20 0 DEADHO CC(C)[C@H](C(=O)N1CC2(C1)CC[N@H+](CC1CC(C)C1)C2)N(C)C ZINC001072953080 790324025 /nfs/dbraw/zinc/32/40/25/790324025.db2.gz NEYFVFKLSTWFHF-OFLPRAFFSA-N 1 3 321.509 2.153 20 0 DEADHO CC(C)[C@H](C(=O)N1CC2(C1)CC[N@@H+](CC1CC(C)C1)C2)N(C)C ZINC001072953080 790324034 /nfs/dbraw/zinc/32/40/34/790324034.db2.gz NEYFVFKLSTWFHF-OFLPRAFFSA-N 1 3 321.509 2.153 20 0 DEADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCC(C)(C)C ZINC001106249668 782569888 /nfs/dbraw/zinc/56/98/88/782569888.db2.gz MURUUGGWLNLQFJ-DJIMGWMZSA-N 1 3 323.525 2.447 20 0 DEADHO O=C(NCCNC/C=C/Cl)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127345179 782733368 /nfs/dbraw/zinc/73/33/68/782733368.db2.gz XXXDLDSPUSUDOK-YOIVXCQUSA-N 1 3 313.873 2.099 20 0 DEADHO O=C(NCCNC/C=C/Cl)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127345179 782733378 /nfs/dbraw/zinc/73/33/78/782733378.db2.gz XXXDLDSPUSUDOK-YOIVXCQUSA-N 1 3 313.873 2.099 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089491815 783157483 /nfs/dbraw/zinc/15/74/83/783157483.db2.gz VUMFUXGWJYBYFE-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[N@H+]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089491815 783157486 /nfs/dbraw/zinc/15/74/86/783157486.db2.gz VUMFUXGWJYBYFE-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H](C[NH2+]CC3CC3)[C@@H](C)C2)CC1 ZINC001075349194 776634344 /nfs/dbraw/zinc/63/43/44/776634344.db2.gz SZCBLBZCBSQUAS-FUHWJXTLSA-N 1 3 321.509 2.203 20 0 DEADHO CC(=O)OC(C)(C)CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001209148882 776669719 /nfs/dbraw/zinc/66/97/19/776669719.db2.gz NVENAKFAEKGBJV-UHFFFAOYSA-N 1 3 305.422 2.326 20 0 DEADHO CC1CC(C[NH2+]CC2(CCNC(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001167232388 776784712 /nfs/dbraw/zinc/78/47/12/776784712.db2.gz AYLJKZSYJHGHNG-GTPINHCMSA-N 1 3 321.509 2.250 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]CCCCCF)C1 ZINC001211278318 777029301 /nfs/dbraw/zinc/02/93/01/777029301.db2.gz RMBRPUWVMKVFJB-OAHLLOKOSA-N 1 3 301.450 2.047 20 0 DEADHO CC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC001075458291 777427668 /nfs/dbraw/zinc/42/76/68/777427668.db2.gz BFNNBANRMWIFRA-HNNXBMFYSA-N 1 3 318.465 2.313 20 0 DEADHO CC[N@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC001075458291 777427673 /nfs/dbraw/zinc/42/76/73/777427673.db2.gz BFNNBANRMWIFRA-HNNXBMFYSA-N 1 3 318.465 2.313 20 0 DEADHO C[NH+]1CCC(CN2CCN(Cc3ccc(Cl)cn3)CC2)CC1 ZINC001136932340 790541070 /nfs/dbraw/zinc/54/10/70/790541070.db2.gz FEWWDGXSAGPANH-UHFFFAOYSA-N 1 3 322.884 2.194 20 0 DEADHO CCC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001104832994 778206327 /nfs/dbraw/zinc/20/63/27/778206327.db2.gz GUPAEZCHKKBGSZ-IAGOWNOFSA-N 1 3 309.498 2.203 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](F)CC)C1 ZINC001104938608 778266285 /nfs/dbraw/zinc/26/62/85/778266285.db2.gz XNDHIFBHJNBXRU-BZUAXINKSA-N 1 3 315.477 2.151 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](F)CC)C1 ZINC001104938609 778266465 /nfs/dbraw/zinc/26/64/65/778266465.db2.gz XNDHIFBHJNBXRU-OAGGEKHMSA-N 1 3 315.477 2.151 20 0 DEADHO CCc1cc(NC(=N)NCCCC[NH3+])nnc1-c1ccccc1 ZINC001167880377 778743089 /nfs/dbraw/zinc/74/30/89/778743089.db2.gz JZTRYHIPWZKCJO-UHFFFAOYSA-N 1 3 312.421 2.381 20 0 DEADHO N=C(NCCCC[NH3+])Nc1nc(Cl)nc2cc(F)ccc21 ZINC001167880040 778743330 /nfs/dbraw/zinc/74/33/30/778743330.db2.gz ZUXWDCFWMIMZQJ-UHFFFAOYSA-N 1 3 310.764 2.097 20 0 DEADHO N=C(NCCCC[NH3+])Nc1ncnc(Cl)c1-c1ccccc1 ZINC001167879180 778743351 /nfs/dbraw/zinc/74/33/51/778743351.db2.gz ZFHVZWVJWCLMQT-UHFFFAOYSA-N 1 3 318.812 2.472 20 0 DEADHO C[C@@H](Cc1cnccn1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167966688 779117309 /nfs/dbraw/zinc/11/73/09/779117309.db2.gz ZIEOBNQVYGQGFH-ZVRJUHEZSA-N 1 3 300.450 2.403 20 0 DEADHO C[C@@H](Cc1cnccn1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167966688 779117311 /nfs/dbraw/zinc/11/73/11/779117311.db2.gz ZIEOBNQVYGQGFH-ZVRJUHEZSA-N 1 3 300.450 2.403 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@@H]2C1 ZINC001087993184 779618925 /nfs/dbraw/zinc/61/89/25/779618925.db2.gz DMIRXFBSFOCHJP-FGTMMUONSA-N 1 3 321.509 2.153 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@@H]2C1 ZINC001087993184 779618928 /nfs/dbraw/zinc/61/89/28/779618928.db2.gz DMIRXFBSFOCHJP-FGTMMUONSA-N 1 3 321.509 2.153 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]2C1 ZINC001088095545 779696921 /nfs/dbraw/zinc/69/69/21/779696921.db2.gz UIPUELPBXMMDDM-FGTMMUONSA-N 1 3 321.509 2.319 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]2C1 ZINC001088095545 779696927 /nfs/dbraw/zinc/69/69/27/779696927.db2.gz UIPUELPBXMMDDM-FGTMMUONSA-N 1 3 321.509 2.319 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@@H]2C1 ZINC001088105821 779705910 /nfs/dbraw/zinc/70/59/10/779705910.db2.gz DJOVRTXZGACMGM-ZACQAIPSSA-N 1 3 307.482 2.051 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@@H]2C1 ZINC001088105821 779705917 /nfs/dbraw/zinc/70/59/17/779705917.db2.gz DJOVRTXZGACMGM-ZACQAIPSSA-N 1 3 307.482 2.051 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C(C)C)CC[C@@H]2C1 ZINC001088212772 779775751 /nfs/dbraw/zinc/77/57/51/779775751.db2.gz OTUADHLJXQTGJI-IKGGRYGDSA-N 1 3 307.482 2.050 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C(C)C)CC[C@@H]2C1 ZINC001088212772 779775757 /nfs/dbraw/zinc/77/57/57/779775757.db2.gz OTUADHLJXQTGJI-IKGGRYGDSA-N 1 3 307.482 2.050 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(C)C)CC[C@@H]2C1 ZINC001088212633 779775976 /nfs/dbraw/zinc/77/59/76/779775976.db2.gz FDQCUUUMIFWEKF-FGTMMUONSA-N 1 3 321.509 2.297 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(C)C)CC[C@@H]2C1 ZINC001088212633 779775979 /nfs/dbraw/zinc/77/59/79/779775979.db2.gz FDQCUUUMIFWEKF-FGTMMUONSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2CCCCC[C@@H](NCCF)C2)CC[N@@H+]1C ZINC001088317370 779941278 /nfs/dbraw/zinc/94/12/78/779941278.db2.gz ZPLVIHQHNNKINE-OWCLPIDISA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2CCCCC[C@@H](NCCF)C2)CC[N@H+]1C ZINC001088317370 779941284 /nfs/dbraw/zinc/94/12/84/779941284.db2.gz ZPLVIHQHNNKINE-OWCLPIDISA-N 1 3 313.461 2.047 20 0 DEADHO CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN2CC[C@H](C)C2)CCC1 ZINC001105563189 780765564 /nfs/dbraw/zinc/76/55/64/780765564.db2.gz GILAZCMOSVUUKI-IRXDYDNUSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]CCC(F)(F)F)CC1 ZINC001168344398 780860797 /nfs/dbraw/zinc/86/07/97/780860797.db2.gz ATBPRWDGBSCGDQ-UHFFFAOYSA-N 1 3 323.403 2.155 20 0 DEADHO CCOC(=O)c1ccc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC001142599413 781032567 /nfs/dbraw/zinc/03/25/67/781032567.db2.gz ICEUVCNSQAYUKL-GOSISDBHSA-N 1 3 302.418 2.391 20 0 DEADHO CCOC(=O)c1ccc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC001142599413 781032576 /nfs/dbraw/zinc/03/25/76/781032576.db2.gz ICEUVCNSQAYUKL-GOSISDBHSA-N 1 3 302.418 2.391 20 0 DEADHO CCN(CC)C(=O)[C@H]1CCCN(C2CC[NH+](CC3CC3)CC2)C1 ZINC001168372489 781651033 /nfs/dbraw/zinc/65/10/33/781651033.db2.gz YURVPYUTVFJJQN-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCC[NH2+]CCCCC(F)(F)F ZINC001127067149 781713177 /nfs/dbraw/zinc/71/31/77/781713177.db2.gz XCIBUGYULNUDLM-ZDUSSCGKSA-N 1 3 323.403 2.298 20 0 DEADHO Cc1nnc([C@@H]2CCC[N@@H+](C3CCN(CC4CC4)CC3)C2)o1 ZINC001168388713 781776778 /nfs/dbraw/zinc/77/67/78/781776778.db2.gz GZUNKZJJKPHAGP-OAHLLOKOSA-N 1 3 304.438 2.432 20 0 DEADHO Cc1nnc([C@@H]2CCC[N@H+](C3CCN(CC4CC4)CC3)C2)o1 ZINC001168388713 781776788 /nfs/dbraw/zinc/77/67/88/781776788.db2.gz GZUNKZJJKPHAGP-OAHLLOKOSA-N 1 3 304.438 2.432 20 0 DEADHO c1ccc(O[C@H]2CC[N@@H+](C3CCN(CC4CC4)CC3)C2)nc1 ZINC001168389604 781778207 /nfs/dbraw/zinc/77/82/07/781778207.db2.gz TUKMHNGTLBOHJN-KRWDZBQOSA-N 1 3 301.434 2.409 20 0 DEADHO c1ccc(O[C@H]2CC[N@H+](C3CCN(CC4CC4)CC3)C2)nc1 ZINC001168389604 781778215 /nfs/dbraw/zinc/77/82/15/781778215.db2.gz TUKMHNGTLBOHJN-KRWDZBQOSA-N 1 3 301.434 2.409 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC2CC(C)(C)C2)[C@H](C)C1 ZINC001106910923 783421590 /nfs/dbraw/zinc/42/15/90/783421590.db2.gz VTILJVNVOQEUJO-NVXWUHKLSA-N 1 3 323.525 2.449 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1 ZINC001085405994 783669822 /nfs/dbraw/zinc/66/98/22/783669822.db2.gz JLHLSZCUKCHMIR-HUUCEWRRSA-N 1 3 304.438 2.078 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCF)c1 ZINC001085432445 783681340 /nfs/dbraw/zinc/68/13/40/783681340.db2.gz YCSQMDIUTHYWGV-IAGOWNOFSA-N 1 3 321.440 2.348 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC000968989945 784683241 /nfs/dbraw/zinc/68/32/41/784683241.db2.gz NTAPHUNMNZHXJN-SJORKVTESA-N 1 3 321.440 2.102 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C)C1)N(C)C ZINC000969074396 784716505 /nfs/dbraw/zinc/71/65/05/784716505.db2.gz AZSDGCAQTYBFKS-IAGOWNOFSA-N 1 3 303.450 2.026 20 0 DEADHO C[C@@H]1C[C@H](NCC[C@H]2CCC[N@@H+]2C)CN1C(=O)OC(C)(C)C ZINC001168818250 784927689 /nfs/dbraw/zinc/92/76/89/784927689.db2.gz RJGNCYBIBNKHLY-QLFBSQMISA-N 1 3 311.470 2.458 20 0 DEADHO C[C@@H]1C[C@H](NCC[C@H]2CCC[N@H+]2C)CN1C(=O)OC(C)(C)C ZINC001168818250 784927696 /nfs/dbraw/zinc/92/76/96/784927696.db2.gz RJGNCYBIBNKHLY-QLFBSQMISA-N 1 3 311.470 2.458 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCCN2C)CN1C(=O)OC(C)(C)C ZINC001168818250 784927699 /nfs/dbraw/zinc/92/76/99/784927699.db2.gz RJGNCYBIBNKHLY-QLFBSQMISA-N 1 3 311.470 2.458 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H](CO)Cc1ccc(Cl)cc1)C2 ZINC001169098383 785032044 /nfs/dbraw/zinc/03/20/44/785032044.db2.gz GVMNYSUHFQQBBP-VQHPVUNQSA-N 1 3 308.853 2.458 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H](CO)Cc1ccc(Cl)cc1)C2 ZINC001169098383 785032052 /nfs/dbraw/zinc/03/20/52/785032052.db2.gz GVMNYSUHFQQBBP-VQHPVUNQSA-N 1 3 308.853 2.458 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC001169077859 785035904 /nfs/dbraw/zinc/03/59/04/785035904.db2.gz AULNFOLTMPYXTH-XQLPTFJDSA-N 1 3 309.454 2.211 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC001169077859 785035911 /nfs/dbraw/zinc/03/59/11/785035911.db2.gz AULNFOLTMPYXTH-XQLPTFJDSA-N 1 3 309.454 2.211 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)C2 ZINC001169089666 785039076 /nfs/dbraw/zinc/03/90/76/785039076.db2.gz FNDUQNORHVEUDK-BCDXTJNWSA-N 1 3 315.461 2.238 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCN(Cc3ccncc3)CC1)C2 ZINC001169124531 785048468 /nfs/dbraw/zinc/04/84/68/785048468.db2.gz DZPQMIDVTVWGGJ-REPLKXPHSA-N 1 3 314.477 2.215 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCN(Cc3ccncc3)CC1)C2 ZINC001169124531 785048480 /nfs/dbraw/zinc/04/84/80/785048480.db2.gz DZPQMIDVTVWGGJ-REPLKXPHSA-N 1 3 314.477 2.215 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCCN(CCCF)C2)C1 ZINC001008277153 785159825 /nfs/dbraw/zinc/15/98/25/785159825.db2.gz MRJIOXFHGQQIIX-CVEARBPZSA-N 1 3 313.461 2.049 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCCN(CCCF)C2)C1 ZINC001008277153 785159828 /nfs/dbraw/zinc/15/98/28/785159828.db2.gz MRJIOXFHGQQIIX-CVEARBPZSA-N 1 3 313.461 2.049 20 0 DEADHO C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCCN(CCCF)C2)cc1 ZINC001008881421 785322643 /nfs/dbraw/zinc/32/26/43/785322643.db2.gz LKBDPSSDGIDSTN-KRWDZBQOSA-N 1 3 321.440 2.302 20 0 DEADHO CC[C@@H]([NH2+]CCNC(=O)C1(N(C)C)CCC1)c1ccc(F)cc1 ZINC001129363085 785534246 /nfs/dbraw/zinc/53/42/46/785534246.db2.gz FLZGLPNGRBGIHK-MRXNPFEDSA-N 1 3 321.440 2.467 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC1)N(CC)CC ZINC001109714694 785995219 /nfs/dbraw/zinc/99/52/19/785995219.db2.gz SRBSQKQEAFZJTQ-TWMKSMIVSA-N 1 3 307.482 2.238 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC1)N(CC)CC ZINC001109714694 785995225 /nfs/dbraw/zinc/99/52/25/785995225.db2.gz SRBSQKQEAFZJTQ-TWMKSMIVSA-N 1 3 307.482 2.238 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+]CCNC(=O)[C@H](C2CC2)N(C)C)c1 ZINC001129442689 787215686 /nfs/dbraw/zinc/21/56/86/787215686.db2.gz CYTHDLNCOWRBIZ-PBHICJAKSA-N 1 3 303.450 2.102 20 0 DEADHO O=C(NCCNCc1ccc(F)cc1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130186205 787308786 /nfs/dbraw/zinc/30/87/86/787308786.db2.gz CTKXMPCAYYKZRA-IAGOWNOFSA-N 1 3 319.424 2.048 20 0 DEADHO O=C(NCCNCc1ccc(F)cc1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130186205 787308795 /nfs/dbraw/zinc/30/87/95/787308795.db2.gz CTKXMPCAYYKZRA-IAGOWNOFSA-N 1 3 319.424 2.048 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CC1CCC2(CC2)CC1 ZINC001130427989 787389028 /nfs/dbraw/zinc/38/90/28/787389028.db2.gz XRENVCQSWJEPEN-UHFFFAOYSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)C1=[NH+]CCc2ccc(N[C@@H](C)[C@@H]3CNCCO3)cc21 ZINC001170574650 787664990 /nfs/dbraw/zinc/66/49/90/787664990.db2.gz NGVZOVDFXVZLFY-GUYCJALGSA-N 1 3 301.434 2.477 20 0 DEADHO C[N@H+](CCC(=O)NCCNC/C=C\Cl)C1CCCCC1 ZINC001131822476 787751818 /nfs/dbraw/zinc/75/18/18/787751818.db2.gz OQPPNPHVDNSZLX-UITAMQMPSA-N 1 3 301.862 2.099 20 0 DEADHO C[N@@H+](CCC(=O)NCCNC/C=C\Cl)C1CCCCC1 ZINC001131822476 787751829 /nfs/dbraw/zinc/75/18/29/787751829.db2.gz OQPPNPHVDNSZLX-UITAMQMPSA-N 1 3 301.862 2.099 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC2CC2)C1 ZINC001132153960 787946454 /nfs/dbraw/zinc/94/64/54/787946454.db2.gz VKKNHHAMNXXYDD-GDBMZVCRSA-N 1 3 309.498 2.486 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC2CC2)C1 ZINC001132153960 787946455 /nfs/dbraw/zinc/94/64/55/787946455.db2.gz VKKNHHAMNXXYDD-GDBMZVCRSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC1 ZINC001097405662 788096514 /nfs/dbraw/zinc/09/65/14/788096514.db2.gz PBIACWIUVRDDQU-BDXSIMOUSA-N 1 3 319.493 2.238 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC1 ZINC001097405662 788096519 /nfs/dbraw/zinc/09/65/19/788096519.db2.gz PBIACWIUVRDDQU-BDXSIMOUSA-N 1 3 319.493 2.238 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC1 ZINC001097405666 788096808 /nfs/dbraw/zinc/09/68/08/788096808.db2.gz PBIACWIUVRDDQU-ZJPYXAASSA-N 1 3 319.493 2.238 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC1 ZINC001097405666 788096817 /nfs/dbraw/zinc/09/68/17/788096817.db2.gz PBIACWIUVRDDQU-ZJPYXAASSA-N 1 3 319.493 2.238 20 0 DEADHO CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCCN1CCC3)C2 ZINC001097430044 788101866 /nfs/dbraw/zinc/10/18/66/788101866.db2.gz FIAUZGLDBLIXAV-VQHPVUNQSA-N 1 3 319.493 2.382 20 0 DEADHO CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCCN1CCC3)C2 ZINC001097430044 788101868 /nfs/dbraw/zinc/10/18/68/788101868.db2.gz FIAUZGLDBLIXAV-VQHPVUNQSA-N 1 3 319.493 2.382 20 0 DEADHO CC(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001086694533 788192813 /nfs/dbraw/zinc/19/28/13/788192813.db2.gz WYODXKOMXZKYAL-GVDBMIGSSA-N 1 3 309.498 2.390 20 0 DEADHO CCCC[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1C ZINC001132888366 788219103 /nfs/dbraw/zinc/21/91/03/788219103.db2.gz MRFUHQINZWHIGS-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1C ZINC001133120960 788288070 /nfs/dbraw/zinc/28/80/70/788288070.db2.gz CRFXEZAZNKOYOZ-DLBZAZTESA-N 1 3 323.525 2.449 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC2)C1 ZINC001086712241 788616715 /nfs/dbraw/zinc/61/67/15/788616715.db2.gz WSWLUJPLNTXFGL-BBWFWOEESA-N 1 3 307.482 2.145 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]CC1CCC(C)(C)CC1 ZINC001133819930 788618101 /nfs/dbraw/zinc/61/81/01/788618101.db2.gz RWDLJXPBZRVLIM-OAHLLOKOSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]CCc1ccccc1Cl ZINC001133824007 788629992 /nfs/dbraw/zinc/62/99/92/788629992.db2.gz VUNWIBDYCQUCJQ-AWEZNQCLSA-N 1 3 323.868 2.073 20 0 DEADHO CCCCC[NH2+]CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001133856706 788641253 /nfs/dbraw/zinc/64/12/53/788641253.db2.gz OFYXNLWVLMJPKX-MRXNPFEDSA-N 1 3 301.450 2.095 20 0 DEADHO CC1(C)CCN(CC(=O)NCC[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001133896301 788662410 /nfs/dbraw/zinc/66/24/10/788662410.db2.gz HVBYJCNEFGQCIS-UHFFFAOYSA-N 1 3 321.509 2.395 20 0 DEADHO Cc1ccc(CC[NH2+]CCNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001133899658 788669571 /nfs/dbraw/zinc/66/95/71/788669571.db2.gz QUGQPANANADKMS-UHFFFAOYSA-N 1 3 319.493 2.221 20 0 DEADHO C[C@H](C[C@@H](C)[NH2+]Cc1ccns1)NC(=O)C1(N(C)C)CCC1 ZINC001134582884 788987236 /nfs/dbraw/zinc/98/72/36/788987236.db2.gz BDZSGFMQPMMWIZ-CHWSQXEVSA-N 1 3 324.494 2.000 20 0 DEADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1cnc(C)o1 ZINC001134772586 789074337 /nfs/dbraw/zinc/07/43/37/789074337.db2.gz GIKNFGXQZSRPDC-OLZOCXBDSA-N 1 3 324.469 2.086 20 0 DEADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1cnc(C)o1 ZINC001134772586 789074342 /nfs/dbraw/zinc/07/43/42/789074342.db2.gz GIKNFGXQZSRPDC-OLZOCXBDSA-N 1 3 324.469 2.086 20 0 DEADHO C[C@H](C[C@H](C)NC(=O)CC[NH+](C)C)NC/C(Cl)=C/Cl ZINC001135371671 789303695 /nfs/dbraw/zinc/30/36/95/789303695.db2.gz HKHBYONVFSFBND-IESZJLAKSA-N 1 3 310.269 2.130 20 0 DEADHO C[C@H](C[C@@H](C)[NH2+]CCC1CC1)NC(=O)CN1CCC(C)(C)C1 ZINC001135477121 789364846 /nfs/dbraw/zinc/36/48/46/789364846.db2.gz QXOGDCGREYGITQ-HUUCEWRRSA-N 1 3 309.498 2.391 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cnccc1C ZINC001135976461 789587266 /nfs/dbraw/zinc/58/72/66/789587266.db2.gz JXEXPBCOBFOGDN-JKSUJKDBSA-N 1 3 320.481 2.105 20 0 DEADHO C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C[NH2+]CC1CC1 ZINC001072364880 790124633 /nfs/dbraw/zinc/12/46/33/790124633.db2.gz BAJXEUXAFFFQMS-WBVHZDCISA-N 1 3 321.509 2.203 20 0 DEADHO CCC[NH2+][C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001074880551 791365161 /nfs/dbraw/zinc/36/51/61/791365161.db2.gz HGFMCHMNFNGLKY-ZQIUZPCESA-N 1 3 313.461 2.188 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCNC/C=C/Cl ZINC001147359571 791515901 /nfs/dbraw/zinc/51/59/01/791515901.db2.gz SMWAQVZITHPAMH-OWNNVSBGSA-N 1 3 301.862 2.099 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1C(=O)NCCNC/C=C/Cl ZINC001147359571 791515902 /nfs/dbraw/zinc/51/59/02/791515902.db2.gz SMWAQVZITHPAMH-OWNNVSBGSA-N 1 3 301.862 2.099 20 0 DEADHO CC(C)C[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001148352032 791735475 /nfs/dbraw/zinc/73/54/75/791735475.db2.gz YFGMDUWKDNJHCH-OAHLLOKOSA-N 1 3 318.465 2.169 20 0 DEADHO CC(C)C[C@@H](C)C[N@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001148352032 791735479 /nfs/dbraw/zinc/73/54/79/791735479.db2.gz YFGMDUWKDNJHCH-OAHLLOKOSA-N 1 3 318.465 2.169 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001148458150 791749920 /nfs/dbraw/zinc/74/99/20/791749920.db2.gz LQLLSIPQIOIQSR-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001148458150 791749925 /nfs/dbraw/zinc/74/99/25/791749925.db2.gz LQLLSIPQIOIQSR-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CC(C)=CC[N@H+]1C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@]2(C)C1 ZINC001091740824 791784825 /nfs/dbraw/zinc/78/48/25/791784825.db2.gz KRWVQGMRMMUQCA-APWZRJJASA-N 1 3 319.493 2.217 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@]2(C)C1 ZINC001091740824 791784827 /nfs/dbraw/zinc/78/48/27/791784827.db2.gz KRWVQGMRMMUQCA-APWZRJJASA-N 1 3 319.493 2.217 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+]Cc1cccc2ccccc21 ZINC001148638974 791786543 /nfs/dbraw/zinc/78/65/43/791786543.db2.gz WBGCBDJJJSGBEC-UHFFFAOYSA-N 1 3 313.445 2.387 20 0 DEADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@H+](CCC1CCCC1)C2 ZINC001148843902 791810309 /nfs/dbraw/zinc/81/03/09/791810309.db2.gz JKPAJZZZLGUWIA-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@@H+](CCC1CCCC1)C2 ZINC001148843902 791810314 /nfs/dbraw/zinc/81/03/14/791810314.db2.gz JKPAJZZZLGUWIA-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001086942435 791857487 /nfs/dbraw/zinc/85/74/87/791857487.db2.gz QSUXUDBQYAYKOG-SJORKVTESA-N 1 3 321.509 2.440 20 0 DEADHO CCC[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001086945597 791858800 /nfs/dbraw/zinc/85/88/00/791858800.db2.gz FPHHETSECGGDAQ-AWEZNQCLSA-N 1 3 304.438 2.065 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001091985646 791913080 /nfs/dbraw/zinc/91/30/80/791913080.db2.gz CCOKLFMFFMSKIS-NUJGCVRESA-N 1 3 309.498 2.009 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001091985646 791913082 /nfs/dbraw/zinc/91/30/82/791913082.db2.gz CCOKLFMFFMSKIS-NUJGCVRESA-N 1 3 309.498 2.009 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C(C)C)N1CCCC1 ZINC001111462485 791988901 /nfs/dbraw/zinc/98/89/01/791988901.db2.gz ZMRGIUVGZNYBTQ-WCXIOVBPSA-N 1 3 307.482 2.237 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C(C)C)N1CCCC1 ZINC001111462485 791988907 /nfs/dbraw/zinc/98/89/07/791988907.db2.gz ZMRGIUVGZNYBTQ-WCXIOVBPSA-N 1 3 307.482 2.237 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC)C1 ZINC001099443462 792208222 /nfs/dbraw/zinc/20/82/22/792208222.db2.gz YSLYOTCWKFYGPN-BQFCYCMXSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CC2)C1)N(C)C ZINC001099449658 792210608 /nfs/dbraw/zinc/21/06/08/792210608.db2.gz UEFLFMLZVQMBHL-LNLFQRSKSA-N 1 3 321.509 2.201 20 0 DEADHO CC(C)CCC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001100426633 792642642 /nfs/dbraw/zinc/64/26/42/792642642.db2.gz SFHIYASPARJOCU-JCYILVPMSA-N 1 3 311.514 2.493 20 0 DEADHO CC[C@H](C)C[NH2+]C1CC(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001100562535 792722459 /nfs/dbraw/zinc/72/24/59/792722459.db2.gz QKASINZNBKTWGY-FHERZECASA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001094088960 792723653 /nfs/dbraw/zinc/72/36/53/792723653.db2.gz YNEJEYSYAVQGOV-ZACQAIPSSA-N 1 3 309.498 2.342 20 0 DEADHO CC[C@@H](C(=O)NCC1CC([NH2+]Cc2cccc(C)c2)C1)N(C)C ZINC001100683712 792786908 /nfs/dbraw/zinc/78/69/08/792786908.db2.gz OEVLNEHVDZFVTJ-ABHNRTSZSA-N 1 3 317.477 2.320 20 0 DEADHO CC[C@H](C)C[N@@H+]1C[C@@H]2CN(C(=O)CN(CC)CC)C[C@]2(C)C1 ZINC001101400022 793143353 /nfs/dbraw/zinc/14/33/53/793143353.db2.gz CRGXKEZACYERDK-JZXOWHBKSA-N 1 3 309.498 2.155 20 0 DEADHO CC[C@H](C)C[N@H+]1C[C@@H]2CN(C(=O)CN(CC)CC)C[C@]2(C)C1 ZINC001101400022 793143356 /nfs/dbraw/zinc/14/33/56/793143356.db2.gz CRGXKEZACYERDK-JZXOWHBKSA-N 1 3 309.498 2.155 20 0 DEADHO CN(C)C(=O)[C@@H]1CCC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171637412 793171170 /nfs/dbraw/zinc/17/11/70/793171170.db2.gz MQRYOKMYYDXDJN-CQSZACIVSA-N 1 3 309.498 2.438 20 0 DEADHO CN(C)C(=O)[C@@H]1CCC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171637412 793171173 /nfs/dbraw/zinc/17/11/73/793171173.db2.gz MQRYOKMYYDXDJN-CQSZACIVSA-N 1 3 309.498 2.438 20 0 DEADHO CC[NH2+]CC(C)(C)C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001101574033 793240624 /nfs/dbraw/zinc/24/06/24/793240624.db2.gz OEFVNMURTXSSQK-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N1CCC(C(C)(C)C[NH2+]CCF)CC1 ZINC001101591353 793253724 /nfs/dbraw/zinc/25/37/24/793253724.db2.gz VECHCXSQQRBIQC-UHFFFAOYSA-N 1 3 315.477 2.152 20 0 DEADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)N1CCN(CC[NH3+])CC1 ZINC001171958844 793259093 /nfs/dbraw/zinc/25/90/93/793259093.db2.gz JSWSIRNKSHJHME-CYBMUJFWSA-N 1 3 315.383 2.213 20 0 DEADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)N1CCN(CC[NH3+])CC1 ZINC001171958845 793259908 /nfs/dbraw/zinc/25/99/08/793259908.db2.gz JSWSIRNKSHJHME-ZDUSSCGKSA-N 1 3 315.383 2.213 20 0 DEADHO Cc1ccnc(O[C@H]2CCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)n1 ZINC001172132671 793321219 /nfs/dbraw/zinc/32/12/19/793321219.db2.gz MMSXVAXRAHXEHS-YVSFHVDLSA-N 1 3 316.449 2.253 20 0 DEADHO Cc1ccnc(O[C@H]2CCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)n1 ZINC001172132671 793321229 /nfs/dbraw/zinc/32/12/29/793321229.db2.gz MMSXVAXRAHXEHS-YVSFHVDLSA-N 1 3 316.449 2.253 20 0 DEADHO O=C1CC[C@@H]2C[C@H]([N@@H+]3CCCC[C@H]3CCN3CCCC3)CCN12 ZINC001172178727 793362159 /nfs/dbraw/zinc/36/21/59/793362159.db2.gz NYJKGXFWTHDAKU-RCCFBDPRSA-N 1 3 319.493 2.480 20 0 DEADHO O=C1CC[C@@H]2C[C@H]([N@H+]3CCCC[C@H]3CCN3CCCC3)CCN12 ZINC001172178727 793362166 /nfs/dbraw/zinc/36/21/66/793362166.db2.gz NYJKGXFWTHDAKU-RCCFBDPRSA-N 1 3 319.493 2.480 20 0 DEADHO COC(=O)CCN(CCC[NH+](C)C)[C@H](C)CCOCC(C)C ZINC001172471577 793424257 /nfs/dbraw/zinc/42/42/57/793424257.db2.gz SDJJZAICYNPXGR-MRXNPFEDSA-N 1 3 316.486 2.254 20 0 DEADHO CC[C@@H](CC(C)C)N1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001172402137 793425046 /nfs/dbraw/zinc/42/50/46/793425046.db2.gz NAVZOJUNULRXOR-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](CC(C)C)N1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001172402137 793425048 /nfs/dbraw/zinc/42/50/48/793425048.db2.gz NAVZOJUNULRXOR-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1nccn1-c1ccccc1CN1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206172947 793474001 /nfs/dbraw/zinc/47/40/01/793474001.db2.gz DBJYLHAAIWPGNF-HOTGVXAUSA-N 1 3 302.397 2.442 20 0 DEADHO CCCN1C[C@@H]2C[NH+]([C@@H]3CCC[C@H](C(=O)OC)CC3)C[C@H]2C1 ZINC001172804980 793512701 /nfs/dbraw/zinc/51/27/01/793512701.db2.gz YBPOVLOUGVTAOI-YLFCFFPRSA-N 1 3 308.466 2.382 20 0 DEADHO CCCCC[N@H+]1C[C@@H](CNC(=O)CN2CCC[C@H]2C)[C@H](C)C1 ZINC001102368487 793587867 /nfs/dbraw/zinc/58/78/67/793587867.db2.gz WJDSUPGXILOYHC-BRWVUGGUSA-N 1 3 309.498 2.345 20 0 DEADHO CCCCC[N@@H+]1C[C@@H](CNC(=O)CN2CCC[C@H]2C)[C@H](C)C1 ZINC001102368487 793587877 /nfs/dbraw/zinc/58/78/77/793587877.db2.gz WJDSUPGXILOYHC-BRWVUGGUSA-N 1 3 309.498 2.345 20 0 DEADHO CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(CN(C)C)c1)C2 ZINC001095060985 793633452 /nfs/dbraw/zinc/63/34/52/793633452.db2.gz MWSHRXDNYVJSOW-JQHSSLGASA-N 1 3 315.461 2.351 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CC(CC)CC)C[C@H]1C ZINC001102525196 793642662 /nfs/dbraw/zinc/64/26/62/793642662.db2.gz PNVNJDBYDKGZKW-NVXWUHKLSA-N 1 3 311.514 2.449 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CC(CC)CC)C[C@H]1C ZINC001102525196 793642667 /nfs/dbraw/zinc/64/26/67/793642667.db2.gz PNVNJDBYDKGZKW-NVXWUHKLSA-N 1 3 311.514 2.449 20 0 DEADHO CC[C@H]1CC[C@H](N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2[NH3+])C1 ZINC001173273516 793653386 /nfs/dbraw/zinc/65/33/86/793653386.db2.gz FPNLGKXLZYTJBJ-XQLPTFJDSA-N 1 3 311.470 2.491 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1C ZINC001102600592 793668847 /nfs/dbraw/zinc/66/88/47/793668847.db2.gz LOGZFMWJDYNZTJ-GDBMZVCRSA-N 1 3 323.506 2.272 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1C ZINC001102600592 793668853 /nfs/dbraw/zinc/66/88/53/793668853.db2.gz LOGZFMWJDYNZTJ-GDBMZVCRSA-N 1 3 323.506 2.272 20 0 DEADHO C[C@@H]1C[N@H+](CC2CCC2)C[C@H]1CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001103088214 793935607 /nfs/dbraw/zinc/93/56/07/793935607.db2.gz YWDXPIWSLLGYRD-ZTFGCOKTSA-N 1 3 321.509 2.201 20 0 DEADHO C[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001103088214 793935608 /nfs/dbraw/zinc/93/56/08/793935608.db2.gz YWDXPIWSLLGYRD-ZTFGCOKTSA-N 1 3 321.509 2.201 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[N@H+](CC[C@H](C)F)C[C@H]1C ZINC001103676962 794188550 /nfs/dbraw/zinc/18/85/50/794188550.db2.gz COTZAQLNTANSLS-VNHYZAJKSA-N 1 3 324.444 2.083 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[N@@H+](CC[C@H](C)F)C[C@H]1C ZINC001103676962 794188553 /nfs/dbraw/zinc/18/85/53/794188553.db2.gz COTZAQLNTANSLS-VNHYZAJKSA-N 1 3 324.444 2.083 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ocnc1C ZINC001176284273 794389182 /nfs/dbraw/zinc/38/91/82/794389182.db2.gz FFIAISWPYKRLJP-CQSZACIVSA-N 1 3 324.469 2.089 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1cnc(C)o1 ZINC001176285709 794390612 /nfs/dbraw/zinc/39/06/12/794390612.db2.gz PKJDFXBAXBPLOK-CQSZACIVSA-N 1 3 324.469 2.089 20 0 DEADHO CC[C@H](F)C[NH2+]CCCC[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001176350376 794411329 /nfs/dbraw/zinc/41/13/29/794411329.db2.gz CHUISRUVLHPLKO-JSGCOSHPSA-N 1 3 312.433 2.273 20 0 DEADHO Cc1oncc1C[NH2+]CCCC[C@H](C)NC(=O)CN(C)C(C)C ZINC001176753215 794496352 /nfs/dbraw/zinc/49/63/52/794496352.db2.gz CXXUCBAUWRRNSF-AWEZNQCLSA-N 1 3 324.469 2.088 20 0 DEADHO CC(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C1CCC1)C2 ZINC001112399087 794622826 /nfs/dbraw/zinc/62/28/26/794622826.db2.gz AXDNHYRNMZIVCY-LPHOPBHVSA-N 1 3 321.509 2.345 20 0 DEADHO CCN(CC)CC(=O)N(CCC[NH2+]CCF)CC1CCCC1 ZINC001177445961 794678117 /nfs/dbraw/zinc/67/81/17/794678117.db2.gz VPTDNNNZNWHAHG-UHFFFAOYSA-N 1 3 315.477 2.296 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCCCC3)C[C@H]21 ZINC001115304210 794729522 /nfs/dbraw/zinc/72/95/22/794729522.db2.gz PKMODQZCOILCAQ-DZFIZOCASA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCCCC3)C[C@H]21 ZINC001115304210 794729524 /nfs/dbraw/zinc/72/95/24/794729524.db2.gz PKMODQZCOILCAQ-DZFIZOCASA-N 1 3 321.509 2.343 20 0 DEADHO CN1CCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1nccs1 ZINC001178045447 794804963 /nfs/dbraw/zinc/80/49/63/794804963.db2.gz LZKWTHCMOOIHRR-AWEZNQCLSA-N 1 3 324.494 2.004 20 0 DEADHO CC[C@H](F)C[NH2+]CCCCCCNC(=O)C1(N(C)C)CCC1 ZINC001178693238 794977189 /nfs/dbraw/zinc/97/71/89/794977189.db2.gz MJWCWPKWHGLHKZ-HNNXBMFYSA-N 1 3 315.477 2.485 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCCCCC[NH2+]CCC2CC2)C1 ZINC001179586469 795137837 /nfs/dbraw/zinc/13/78/37/795137837.db2.gz PAOKUWHDULQQCT-MRXNPFEDSA-N 1 3 309.498 2.395 20 0 DEADHO CC[C@@H](C(=O)NCCCCCC[NH2+]Cc1cc(C)no1)N(C)C ZINC001179609502 795142537 /nfs/dbraw/zinc/14/25/37/795142537.db2.gz SDGOIYUPHMWMJK-INIZCTEOSA-N 1 3 324.469 2.089 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2F)[C@@H]1C ZINC001179763626 795174732 /nfs/dbraw/zinc/17/47/32/795174732.db2.gz NECIXBANAZAHHK-YOEHRIQHSA-N 1 3 321.440 2.247 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC=C(Cl)Cl)[C@@H]1C ZINC001179860970 795194343 /nfs/dbraw/zinc/19/43/43/795194343.db2.gz FHHRQYVMHDKXPD-RYUDHWBXSA-N 1 3 322.280 2.226 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC=C(Cl)Cl)[C@@H]1C ZINC001179860970 795194346 /nfs/dbraw/zinc/19/43/46/795194346.db2.gz FHHRQYVMHDKXPD-RYUDHWBXSA-N 1 3 322.280 2.226 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)[C@H]2C)c1 ZINC001180222686 795259313 /nfs/dbraw/zinc/25/93/13/795259313.db2.gz SUTVCCQBVNZQKS-WMZOPIPTSA-N 1 3 317.477 2.414 20 0 DEADHO C[C@@H](C(=O)N1CCC2(CCC[N@@H+]2CC2CC2)CC1)N1CCCC1 ZINC001180577739 795324647 /nfs/dbraw/zinc/32/46/47/795324647.db2.gz CTYNHDIQMXCPQS-INIZCTEOSA-N 1 3 319.493 2.338 20 0 DEADHO C[C@@H](C(=O)N1CCC2(CCC[N@H+]2CC2CC2)CC1)N1CCCC1 ZINC001180577739 795324651 /nfs/dbraw/zinc/32/46/51/795324651.db2.gz CTYNHDIQMXCPQS-INIZCTEOSA-N 1 3 319.493 2.338 20 0 DEADHO O=C(CC12CCC[NH+]1CCC2)NCCc1cnc2cc[nH]cc1-2 ZINC001181111093 795421477 /nfs/dbraw/zinc/42/14/77/795421477.db2.gz WLKYGIBZGTZSDQ-UHFFFAOYSA-N 1 3 312.417 2.240 20 0 DEADHO O=C(CC12CCC[NH+]1CCC2)NCCc1c[nH]c2ccncc12 ZINC001181111093 795421480 /nfs/dbraw/zinc/42/14/80/795421480.db2.gz WLKYGIBZGTZSDQ-UHFFFAOYSA-N 1 3 312.417 2.240 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001181994610 795576738 /nfs/dbraw/zinc/57/67/38/795576738.db2.gz LSZUKSHBFQWGAN-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO CC[C@H](C(=O)NC1CC2(C1)CC([NH2+]C[C@@H](F)CC)C2)N(C)C ZINC001121302008 795614237 /nfs/dbraw/zinc/61/42/37/795614237.db2.gz KANNWRSYIDPDGR-BSTUBKLYSA-N 1 3 313.461 2.092 20 0 DEADHO CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@H](CC)N(C)C)C2)C1 ZINC001121798639 795689310 /nfs/dbraw/zinc/68/93/10/795689310.db2.gz SNFOEAISLHJWPJ-UICTUYQUSA-N 1 3 309.498 2.390 20 0 DEADHO CC(C)N(C)CC(=O)NC1CC2(C1)CC([NH2+]CC[C@H](C)F)C2 ZINC001122249307 795739172 /nfs/dbraw/zinc/73/91/72/795739172.db2.gz SGFXLWXWJSPEPK-DPGVGJJJSA-N 1 3 313.461 2.092 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1C[NH2+]CCF ZINC001185170727 796202494 /nfs/dbraw/zinc/20/24/94/796202494.db2.gz RECUTEPLZGVLCX-GJZGRUSLSA-N 1 3 315.477 2.008 20 0 DEADHO Cc1ccc(CN[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)c(Cl)c1 ZINC001185408722 796259515 /nfs/dbraw/zinc/25/95/15/796259515.db2.gz XGSQGLRQROLUOU-OAHLLOKOSA-N 1 3 323.868 2.291 20 0 DEADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@@H](C)CCc1ccccc1 ZINC001186033938 796351475 /nfs/dbraw/zinc/35/14/75/796351475.db2.gz MGHZBRVEHAUECY-HNNXBMFYSA-N 1 3 318.465 2.319 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CCCc2ccccc2)C1 ZINC001186452544 796403238 /nfs/dbraw/zinc/40/32/38/796403238.db2.gz QXYVZQWVGBDEPZ-GOSISDBHSA-N 1 3 317.477 2.152 20 0 DEADHO C[NH+]1CCC(CN2CCN(Cc3ccncc3Cl)CC2)CC1 ZINC001139849549 796436524 /nfs/dbraw/zinc/43/65/24/796436524.db2.gz LQJMZDJQUDWOFO-UHFFFAOYSA-N 1 3 322.884 2.194 20 0 DEADHO O=C(CCC[NH+]1CCCCC1)N1CC[C@@H](NC/C=C/Cl)C1 ZINC001187921286 796603438 /nfs/dbraw/zinc/60/34/38/796603438.db2.gz CREDXLQLMFGIOG-SBJJXXPASA-N 1 3 313.873 2.196 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001188139069 796630987 /nfs/dbraw/zinc/63/09/87/796630987.db2.gz HEXPEQRDANYIKU-RHSMWYFYSA-N 1 3 321.440 2.417 20 0 DEADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1c(C)cc(F)cc1C ZINC001189310001 796805263 /nfs/dbraw/zinc/80/52/63/796805263.db2.gz JIJSJQFCFQRSRK-UHFFFAOYSA-N 1 3 308.401 2.120 20 0 DEADHO CC/C=C/CC[N@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190675390 797056718 /nfs/dbraw/zinc/05/67/18/797056718.db2.gz LZEKTQMVUVROCK-RTRPANQVSA-N 1 3 307.482 2.360 20 0 DEADHO CC/C=C/CC[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190675390 797056726 /nfs/dbraw/zinc/05/67/26/797056726.db2.gz LZEKTQMVUVROCK-RTRPANQVSA-N 1 3 307.482 2.360 20 0 DEADHO CC(C)=CCN(C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001190744020 797068373 /nfs/dbraw/zinc/06/83/73/797068373.db2.gz OHSAUBOGENKYMC-IRXDYDNUSA-N 1 3 307.482 2.360 20 0 DEADHO CC(C)=CCN(C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001190744020 797068381 /nfs/dbraw/zinc/06/83/81/797068381.db2.gz OHSAUBOGENKYMC-IRXDYDNUSA-N 1 3 307.482 2.360 20 0 DEADHO CC/C=C/CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001190776034 797074119 /nfs/dbraw/zinc/07/41/19/797074119.db2.gz MHAWUEVZLIDPDC-AFYXXPPBSA-N 1 3 309.498 2.462 20 0 DEADHO CC/C=C/CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001190776034 797074124 /nfs/dbraw/zinc/07/41/24/797074124.db2.gz MHAWUEVZLIDPDC-AFYXXPPBSA-N 1 3 309.498 2.462 20 0 DEADHO CC(C)N(C)CC(=O)NCC[NH2+]CC[C@H]1CCc2ccccc21 ZINC001152433241 797187317 /nfs/dbraw/zinc/18/73/17/797187317.db2.gz ZDUCHEPFFPBUNK-QGZVFWFLSA-N 1 3 317.477 2.153 20 0 DEADHO CN(Cc1cccc(F)c1)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192037547 797310102 /nfs/dbraw/zinc/31/01/02/797310102.db2.gz HQVKUEDZRLPNOI-KRWDZBQOSA-N 1 3 321.440 2.200 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2cccc(C)c2)C1 ZINC001193622647 797594110 /nfs/dbraw/zinc/59/41/10/797594110.db2.gz QIWWUYBIQUPRIE-SFHVURJKSA-N 1 3 317.477 2.370 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(C)c2)C1 ZINC001193622647 797594113 /nfs/dbraw/zinc/59/41/13/797594113.db2.gz QIWWUYBIQUPRIE-SFHVURJKSA-N 1 3 317.477 2.370 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)CCc2cccs2)C1 ZINC001193643388 797599357 /nfs/dbraw/zinc/59/93/57/797599357.db2.gz UMXKPXMWAFWJHO-HNNXBMFYSA-N 1 3 323.506 2.165 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)CCc2cccs2)C1 ZINC001193643388 797599362 /nfs/dbraw/zinc/59/93/62/797599362.db2.gz UMXKPXMWAFWJHO-HNNXBMFYSA-N 1 3 323.506 2.165 20 0 DEADHO CCN(CC)CC(=O)NC[C@@H](C)[N@H+](CC)CCCCCF ZINC001155900338 797876354 /nfs/dbraw/zinc/87/63/54/797876354.db2.gz MVXZBIDPZVOHGU-OAHLLOKOSA-N 1 3 303.466 2.295 20 0 DEADHO CCN(CC)CC(=O)NC[C@@H](C)[N@@H+](CC)CCCCCF ZINC001155900338 797876361 /nfs/dbraw/zinc/87/63/61/797876361.db2.gz MVXZBIDPZVOHGU-OAHLLOKOSA-N 1 3 303.466 2.295 20 0 DEADHO CCN(Cc1csc(C)c1)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001156890562 798102686 /nfs/dbraw/zinc/10/26/86/798102686.db2.gz OYEHTWOJNVVMAO-CZUORRHYSA-N 1 3 323.506 2.335 20 0 DEADHO CCN(Cc1csc(C)c1)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001156890562 798102688 /nfs/dbraw/zinc/10/26/88/798102688.db2.gz OYEHTWOJNVVMAO-CZUORRHYSA-N 1 3 323.506 2.335 20 0 DEADHO Cc1ccc(CN2CCCN(C(=O)CC[NH+](C)C)CC2)cc1C ZINC001197044649 798137433 /nfs/dbraw/zinc/13/74/33/798137433.db2.gz VGMPUBXZJZUFMJ-UHFFFAOYSA-N 1 3 317.477 2.289 20 0 DEADHO Cc1ccc(CN2CCCN(C(=O)CC[NH+](C)C)CC2)c(C)c1 ZINC001197049883 798138171 /nfs/dbraw/zinc/13/81/71/798138171.db2.gz YRIXTCJKQCHMGF-UHFFFAOYSA-N 1 3 317.477 2.289 20 0 DEADHO O=C([C@H]1CCCC[NH2+]C1)N1CCN(CC2CCCCC2)CC1 ZINC001157579365 798234568 /nfs/dbraw/zinc/23/45/68/798234568.db2.gz MXTHMHFZLCNNOA-KRWDZBQOSA-N 1 3 307.482 2.101 20 0 DEADHO C[C@H](F)CCN1CCCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001198244391 798302477 /nfs/dbraw/zinc/30/24/77/798302477.db2.gz YERAZYPCTQVJCK-INIZCTEOSA-N 1 3 313.461 2.145 20 0 DEADHO CC(C)N(C)CC(=O)NCC[NH2+]Cc1ccccc1C1CC1 ZINC001152433216 798309417 /nfs/dbraw/zinc/30/94/17/798309417.db2.gz XZIXLTRDRFSBNJ-UHFFFAOYSA-N 1 3 303.450 2.110 20 0 DEADHO Cc1ccnc(CCNc2cccc(N3CCC([NH3+])CC3)n2)c1 ZINC001158433133 798406584 /nfs/dbraw/zinc/40/65/84/798406584.db2.gz GETCNIPFDKJLHQ-UHFFFAOYSA-N 1 3 311.433 2.367 20 0 DEADHO COc1ccccc1[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]C(C)C ZINC001198994630 798427788 /nfs/dbraw/zinc/42/77/88/798427788.db2.gz YUCBNAKLWKOLFS-MRXNPFEDSA-N 1 3 321.465 2.191 20 0 DEADHO CN(C)[C@H](C(=O)NCCC[NH2+]CCC1CCCCC1)C1CC1 ZINC001159915631 798625168 /nfs/dbraw/zinc/62/51/68/798625168.db2.gz LDTFUTBIQJHWEG-KRWDZBQOSA-N 1 3 309.498 2.393 20 0 DEADHO CCN(CC[NH+](CC)CC)C(=S)NCCN1CCCCC1 ZINC001200424773 798635806 /nfs/dbraw/zinc/63/58/06/798635806.db2.gz CFOMDJIAPMYHAG-UHFFFAOYSA-N 1 3 314.543 2.011 20 0 DEADHO CN(C)[C@H](C(=O)NCCC1=CC[N@H+](CC2CCC2)CC1)C1CC1 ZINC001160359917 798679067 /nfs/dbraw/zinc/67/90/67/798679067.db2.gz GFQVYYLVJDBOQJ-SFHVURJKSA-N 1 3 319.493 2.265 20 0 DEADHO CN(C)[C@H](C(=O)NCCC1=CC[N@@H+](CC2CCC2)CC1)C1CC1 ZINC001160359917 798679070 /nfs/dbraw/zinc/67/90/70/798679070.db2.gz GFQVYYLVJDBOQJ-SFHVURJKSA-N 1 3 319.493 2.265 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC[NH2+]C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001160426493 798686462 /nfs/dbraw/zinc/68/64/62/798686462.db2.gz GKBZOASUBLBFTO-KGLIPLIRSA-N 1 3 319.440 2.104 20 0 DEADHO Cc1cc(C)cc(C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001160421488 798686695 /nfs/dbraw/zinc/68/66/95/798686695.db2.gz SIISYABJRMEXPF-SFHVURJKSA-N 1 3 319.493 2.486 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1cccc(F)c1)N(C)C ZINC001160428278 798687448 /nfs/dbraw/zinc/68/74/48/798687448.db2.gz YNCHZVZZXAUCRR-INIZCTEOSA-N 1 3 309.429 2.008 20 0 DEADHO N[C@H](CC(=O)N1CCC([NH3+])CC1)c1ccc(Cl)cc1Cl ZINC001160513638 798697339 /nfs/dbraw/zinc/69/73/39/798697339.db2.gz HJUAIOJEWPCKOP-CYBMUJFWSA-N 1 3 316.232 2.333 20 0 DEADHO CN(C)C1(C(=O)N2CCC([NH2+]CCC(C)(C)C)CC2)CCC1 ZINC001201037528 798708908 /nfs/dbraw/zinc/70/89/08/798708908.db2.gz KQDGSOZLWSALJY-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C(=O)[C@H](N)C12CC3CC(CC(C3)C1)C2)[C@H]1CC[NH2+]C1 ZINC001161353690 798834620 /nfs/dbraw/zinc/83/46/20/798834620.db2.gz WQQIWAHCRMODHX-XSXXDBAGSA-N 1 3 319.493 2.129 20 0 DEADHO C[C@]1(C[NH3+])CCCN(C(=O)[C@H]2CCC[C@H](c3ccccc3)N2)C1 ZINC001161487758 798869246 /nfs/dbraw/zinc/86/92/46/798869246.db2.gz IJMBSHOCLPTJDH-ZHALLVOQSA-N 1 3 315.461 2.457 20 0 DEADHO Cc1cnc(N[C@H]2CC[C@H](NC(=O)C[NH+](C)C)CC2)c(C)c1 ZINC001161669960 798907598 /nfs/dbraw/zinc/90/75/98/798907598.db2.gz PRMULTBOTGFYNT-SHTZXODSSA-N 1 3 304.438 2.099 20 0 DEADHO NCc1cc(N[C@H](c2cccc(F)c2)C2CC[NH2+]CC2)ncn1 ZINC001161820627 798943776 /nfs/dbraw/zinc/94/37/76/798943776.db2.gz MYRWFZCMPMSKRU-KRWDZBQOSA-N 1 3 315.396 2.227 20 0 DEADHO C[C@H]1C[NH2+]CCC[C@@H]1CNc1ccc2c(c1)COC21CNC1 ZINC001162472000 799096364 /nfs/dbraw/zinc/09/63/64/799096364.db2.gz SQUVQFCPYQSYGK-UONOGXRCSA-N 1 3 301.434 2.063 20 0 DEADHO CCC[NH2+]CCN(CCc1ccccc1)C(=O)CN(C)C(C)C ZINC001163007019 799221249 /nfs/dbraw/zinc/22/12/49/799221249.db2.gz MWEJGFIWSZNOSE-UHFFFAOYSA-N 1 3 319.493 2.398 20 0 DEADHO CCN(CC)CCNC(=[NH2+])Nc1ncnc2scc(C)c21 ZINC001163122126 799251865 /nfs/dbraw/zinc/25/18/65/799251865.db2.gz BPNXQGMUTKTIKH-UHFFFAOYSA-N 1 3 306.439 2.278 20 0 DEADHO CC[NH+](CC)CCNC(=N)Nc1ccc(-c2ccccc2)nn1 ZINC001163122622 799252076 /nfs/dbraw/zinc/25/20/76/799252076.db2.gz NVYAHWYFFJAAGF-UHFFFAOYSA-N 1 3 312.421 2.422 20 0 DEADHO CC(C)(C)CCC[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001202667007 799354123 /nfs/dbraw/zinc/35/41/23/799354123.db2.gz DZTGEHMFRXNHOH-UHFFFAOYSA-N 1 3 306.454 2.359 20 0 DEADHO Cc1nc(N2CCN(C)C[C@@H]2c2ccccc2)cc(N(C)C)[nH+]1 ZINC001163670032 799401165 /nfs/dbraw/zinc/40/11/65/799401165.db2.gz ZNLGJUJPBPJIPD-MRXNPFEDSA-N 1 3 311.433 2.344 20 0 DEADHO Cc1c(C)n(-c2ncc3c(n2)CNCC3)c2ccc(C[NH3+])cc12 ZINC001163755351 799424390 /nfs/dbraw/zinc/42/43/90/799424390.db2.gz BVZCAENIUMQRJY-UHFFFAOYSA-N 1 3 307.401 2.142 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC1 ZINC001095668456 799687645 /nfs/dbraw/zinc/68/76/45/799687645.db2.gz PBIACWIUVRDDQU-VSZNYVQBSA-N 1 3 319.493 2.238 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC1 ZINC001095668456 799687659 /nfs/dbraw/zinc/68/76/59/799687659.db2.gz PBIACWIUVRDDQU-VSZNYVQBSA-N 1 3 319.493 2.238 20 0 DEADHO CC[C@H](C(=O)NCCC1(C[NH2+]CC2CCCC2)CC1)N(C)C ZINC001165719018 799766274 /nfs/dbraw/zinc/76/62/74/799766274.db2.gz XESIBSCHOSJVKC-MRXNPFEDSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CC1CCC(C)CC1 ZINC001166626208 799905336 /nfs/dbraw/zinc/90/53/36/799905336.db2.gz CHIMZHPPHLVWAS-CGZBRXJRSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[NH2+][C@@H]2CCc3ccccc32)C1 ZINC001166678409 799918612 /nfs/dbraw/zinc/91/86/12/799918612.db2.gz UYXLEFALZIDUIT-MAUKXSAKSA-N 1 3 315.461 2.112 20 0 DEADHO CC(C)(C)CCC[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203709772 800110256 /nfs/dbraw/zinc/11/02/56/800110256.db2.gz ZHUBJRBRBBPNKG-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H]1CN(Cc2n[nH]c3cc(Br)ccc32)C[C@H]1C[NH3+] ZINC001205145734 800304518 /nfs/dbraw/zinc/30/45/18/800304518.db2.gz DHSZJOXRMYUFMS-VHSXEESVSA-N 1 3 323.238 2.352 20 0 DEADHO COC(=O)c1ccc(CN2CCC[C@@](F)(C[NH3+])CC2)s1 ZINC001205570798 800379384 /nfs/dbraw/zinc/37/93/84/800379384.db2.gz PEGCPYSZRRZRLO-AWEZNQCLSA-N 1 3 300.399 2.188 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC(C[NH2+]CC[C@@H](C)F)CC1)N(C)C ZINC001206175802 800484910 /nfs/dbraw/zinc/48/49/10/800484910.db2.gz CLQNFIQEDPRGFY-GDBMZVCRSA-N 1 3 315.477 2.149 20 0 DEADHO CN(CC(=O)N1CCC(C[NH2+]CCCF)CC1)CC(C)(C)C ZINC001206301234 800505017 /nfs/dbraw/zinc/50/50/17/800505017.db2.gz JXQZUVGBCHEJBL-UHFFFAOYSA-N 1 3 315.477 2.152 20 0 DEADHO C[C@]1(C[NH3+])CCCCN(Cc2cccc(N3CCOCC3)c2)C1 ZINC001206572544 800556552 /nfs/dbraw/zinc/55/65/52/800556552.db2.gz CLZISLFFBDPCIU-LJQANCHMSA-N 1 3 317.477 2.474 20 0 DEADHO C[NH+]1CCC(CCN2CCN(c3ccc(O)cc3)CC2)CC1 ZINC001207479946 800763202 /nfs/dbraw/zinc/76/32/02/800763202.db2.gz QHERCJGYIXQXGO-UHFFFAOYSA-N 1 3 303.450 2.246 20 0 DEADHO COC(=O)[C@@H]1CN(CCC2CC[NH+](C)CC2)Cc2ccccc21 ZINC001207487957 800766262 /nfs/dbraw/zinc/76/62/62/800766262.db2.gz ZVZOFMKLTQIBAT-GOSISDBHSA-N 1 3 316.445 2.491 20 0 DEADHO CN(C)C[C@H](NC(=O)CC[NH2+]C(C)(C)C)c1ccc(F)cc1 ZINC000935985064 800819878 /nfs/dbraw/zinc/81/98/78/800819878.db2.gz OFENQZLYSMQYRQ-HNNXBMFYSA-N 1 3 309.429 2.323 20 0 DEADHO Cc1ccc2c(n1)N(C)CCN(CC1(C)CC[NH+](C)CC1)C2 ZINC001208106629 800913681 /nfs/dbraw/zinc/91/36/81/800913681.db2.gz GCJAXTXAZCEHDR-UHFFFAOYSA-N 1 3 302.466 2.374 20 0 DEADHO CCOCC[NH+](CCOCC)CC1(CN(C)C)CCCC1 ZINC001208186605 800925035 /nfs/dbraw/zinc/92/50/35/800925035.db2.gz WOJNWEKFHUYSJA-UHFFFAOYSA-N 1 3 300.487 2.483 20 0 DEADHO CCC(CC)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001208334056 800957473 /nfs/dbraw/zinc/95/74/73/800957473.db2.gz DPNVLDGWAADREZ-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001208335127 800957786 /nfs/dbraw/zinc/95/77/86/800957786.db2.gz QIXNGUCAKWVJKJ-MBZYTVFJSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)C(=O)N1CCC[C@@]12CCN(C[C@H]1CCC[N@H+](C)C1)C2 ZINC001208608672 801030231 /nfs/dbraw/zinc/03/02/31/801030231.db2.gz RIZOPFHVRFAMJV-WMZOPIPTSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)C(=O)N1CCC[C@@]12CCN(C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001208608672 801030237 /nfs/dbraw/zinc/03/02/37/801030237.db2.gz RIZOPFHVRFAMJV-WMZOPIPTSA-N 1 3 307.482 2.051 20 0 DEADHO CN(CC1C[NH+](C[C@H]2CCCN(C)C2)C1)C(=O)OC(C)(C)C ZINC001208608424 801030402 /nfs/dbraw/zinc/03/04/02/801030402.db2.gz SKXAYRXKURGCTF-AWEZNQCLSA-N 1 3 311.470 2.127 20 0 DEADHO C[N@@H+]1CCC[C@@H](CN2CC[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)C1 ZINC001208608889 801032065 /nfs/dbraw/zinc/03/20/65/801032065.db2.gz XHCNLGPIZRZLEX-PMPSAXMXSA-N 1 3 323.481 2.412 20 0 DEADHO C[N@H+]1CCC[C@@H](CN2CC[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)C1 ZINC001208608889 801032073 /nfs/dbraw/zinc/03/20/73/801032073.db2.gz XHCNLGPIZRZLEX-PMPSAXMXSA-N 1 3 323.481 2.412 20 0 DEADHO C[N@@H+]1CCC[C@H](CN2CCC(NC(=O)C3CCCCC3)CC2)C1 ZINC001208616728 801035972 /nfs/dbraw/zinc/03/59/72/801035972.db2.gz LJCFFEWTVNGNLI-INIZCTEOSA-N 1 3 321.509 2.489 20 0 DEADHO C[N@H+]1CCC[C@H](CN2CCC(NC(=O)C3CCCCC3)CC2)C1 ZINC001208616728 801035977 /nfs/dbraw/zinc/03/59/77/801035977.db2.gz LJCFFEWTVNGNLI-INIZCTEOSA-N 1 3 321.509 2.489 20 0 DEADHO COC(=O)[C@H]1CCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208932052 801097216 /nfs/dbraw/zinc/09/72/16/801097216.db2.gz NRLNWPODAIQCRZ-MSOLQXFVSA-N 1 3 316.445 2.394 20 0 DEADHO COC(=O)[C@H]1CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208932052 801097222 /nfs/dbraw/zinc/09/72/22/801097222.db2.gz NRLNWPODAIQCRZ-MSOLQXFVSA-N 1 3 316.445 2.394 20 0 DEADHO CC(=O)N[C@@H]1CCC[N@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208948601 801100380 /nfs/dbraw/zinc/10/03/80/801100380.db2.gz HBLWHNASRKKQMX-RBUKOAKNSA-N 1 3 315.461 2.109 20 0 DEADHO CC(=O)N[C@@H]1CCC[N@@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208948601 801100383 /nfs/dbraw/zinc/10/03/83/801100383.db2.gz HBLWHNASRKKQMX-RBUKOAKNSA-N 1 3 315.461 2.109 20 0 DEADHO c1ccc(C[N@H+]2CC[C@H](CN3CC[C@H]4COC[C@@H]4C3)C2)cc1 ZINC001208952217 801100484 /nfs/dbraw/zinc/10/04/84/801100484.db2.gz HYGIOBNQPADZKE-FHWLQOOXSA-N 1 3 300.446 2.477 20 0 DEADHO c1ccc(C[N@@H+]2CC[C@H](CN3CC[C@H]4COC[C@@H]4C3)C2)cc1 ZINC001208952217 801100486 /nfs/dbraw/zinc/10/04/86/801100486.db2.gz HYGIOBNQPADZKE-FHWLQOOXSA-N 1 3 300.446 2.477 20 0 DEADHO C[C@H](N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)c1ccccc1F ZINC001209446475 801192467 /nfs/dbraw/zinc/19/24/67/801192467.db2.gz RNYCKKUIFOSIKQ-LSDHHAIUSA-N 1 3 321.440 2.419 20 0 DEADHO C[C@H](F)CC[NH+]1CCC(NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001229214083 801243282 /nfs/dbraw/zinc/24/32/82/801243282.db2.gz AIQUPZRMJOQVMX-AWEZNQCLSA-N 1 3 315.477 2.293 20 0 DEADHO CCC/C=C/CC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001209836304 801293040 /nfs/dbraw/zinc/29/30/40/801293040.db2.gz JLISNHMJIRBHIL-RGDDUWESSA-N 1 3 304.438 2.279 20 0 DEADHO CN1CCN(c2cc[nH+]cc2Nc2ccc3[nH]cnc3c2)CC1 ZINC001209847742 801295143 /nfs/dbraw/zinc/29/51/43/801295143.db2.gz GZBKJMLOZGHOIR-UHFFFAOYSA-N 1 3 308.389 2.453 20 0 DEADHO CN1CCN(c2cc[nH+]cc2Nc2ccc3nc[nH]c3c2)CC1 ZINC001209847742 801295150 /nfs/dbraw/zinc/29/51/50/801295150.db2.gz GZBKJMLOZGHOIR-UHFFFAOYSA-N 1 3 308.389 2.453 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/Cl)N(C)C ZINC001229746122 801313070 /nfs/dbraw/zinc/31/30/70/801313070.db2.gz HQTYRVLNPUSXFF-WWPRXLICSA-N 1 3 301.862 2.096 20 0 DEADHO C[C@@H]1CNCC(F)(F)[C@H]1C[N@@H+]1CCNC[C@H]1c1ccccc1 ZINC001210194751 801349698 /nfs/dbraw/zinc/34/96/98/801349698.db2.gz ANPCNWJXZCLRSH-KBMXLJTQSA-N 1 3 309.404 2.124 20 0 DEADHO C[C@@H]1CNCC(F)(F)[C@H]1C[N@H+]1CCNC[C@H]1c1ccccc1 ZINC001210194751 801349706 /nfs/dbraw/zinc/34/97/06/801349706.db2.gz ANPCNWJXZCLRSH-KBMXLJTQSA-N 1 3 309.404 2.124 20 0 DEADHO Cc1cn2cc(Nc3ccnc(N4CC[NH2+]CC4)c3)ccc2n1 ZINC001210262565 801360167 /nfs/dbraw/zinc/36/01/67/801360167.db2.gz GWTOQRCIQKRMKJ-UHFFFAOYSA-N 1 3 308.389 2.191 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211270226 801540990 /nfs/dbraw/zinc/54/09/90/801540990.db2.gz YQIMTQJBTHLGSK-GOSISDBHSA-N 1 3 317.477 2.416 20 0 DEADHO CN(C)Cc1cc(F)cc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC001232149840 801801418 /nfs/dbraw/zinc/80/14/18/801801418.db2.gz ORQRMQDXFMCCTD-GOSISDBHSA-N 1 3 305.441 2.415 20 0 DEADHO CN(C)Cc1cc(F)cc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC001232149840 801801428 /nfs/dbraw/zinc/80/14/28/801801428.db2.gz ORQRMQDXFMCCTD-GOSISDBHSA-N 1 3 305.441 2.415 20 0 DEADHO CN(C)Cc1cc(F)cc(CN2CCC[C@@H]3C[N@H+](C)C[C@@H]32)c1 ZINC001232146616 801801614 /nfs/dbraw/zinc/80/16/14/801801614.db2.gz VYTDCDRVOHIVJW-AEFFLSMTSA-N 1 3 305.441 2.413 20 0 DEADHO CN(C)Cc1cc(F)cc(CN2CCC[C@@H]3C[N@@H+](C)C[C@@H]32)c1 ZINC001232146616 801801621 /nfs/dbraw/zinc/80/16/21/801801621.db2.gz VYTDCDRVOHIVJW-AEFFLSMTSA-N 1 3 305.441 2.413 20 0 DEADHO CC[C@H](C)C[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001215563861 801877157 /nfs/dbraw/zinc/87/71/57/801877157.db2.gz SXCQUSCUNMHGKU-ARFHVFGLSA-N 1 3 311.514 2.447 20 0 DEADHO C[N@@H+](Cc1ccc([O-])c2[nH]c(=O)ccc12)CC1CC[NH+](C)CC1 ZINC001233293577 802066212 /nfs/dbraw/zinc/06/62/12/802066212.db2.gz BJAHLWMPQWSCNW-UHFFFAOYSA-N 1 3 315.417 2.420 20 0 DEADHO C[N@H+](Cc1ccc([O-])c2[nH]c(=O)ccc12)CC1CC[NH+](C)CC1 ZINC001233293577 802066218 /nfs/dbraw/zinc/06/62/18/802066218.db2.gz BJAHLWMPQWSCNW-UHFFFAOYSA-N 1 3 315.417 2.420 20 0 DEADHO Clc1cccc(-c2nnc(CNCC3CC[NH2+]CC3)o2)c1 ZINC001217758388 802113144 /nfs/dbraw/zinc/11/31/44/802113144.db2.gz YRAPPDBWIIOGBM-UHFFFAOYSA-N 1 3 306.797 2.479 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cccc2cn(C)nc21 ZINC001218888869 802253120 /nfs/dbraw/zinc/25/31/20/802253120.db2.gz LNBWICZOHCDYMS-AWEZNQCLSA-N 1 3 317.437 2.007 20 0 DEADHO CCc1cc(Br)cc(NC(=O)[C@@H](N)CCC[NH3+])c1 ZINC001218978527 802268204 /nfs/dbraw/zinc/26/82/04/802268204.db2.gz RCNZTEFMCCRVCF-LBPRGKRZSA-N 1 3 314.227 2.016 20 0 DEADHO [NH3+]Cc1ccc(NC(=O)C2CCN(Cc3ccncc3)CC2)cc1 ZINC001219343895 802314498 /nfs/dbraw/zinc/31/44/98/802314498.db2.gz ZTSNPFWRTLCGSC-UHFFFAOYSA-N 1 3 324.428 2.391 20 0 DEADHO N[C@@H](CCCC[NH3+])C(=O)Nc1ccccc1-c1nccs1 ZINC001219405063 802324336 /nfs/dbraw/zinc/32/43/36/802324336.db2.gz PAXAWWMOHHLOGU-LBPRGKRZSA-N 1 3 304.419 2.205 20 0 DEADHO c1ccc2c(c1)OC[C@H](CN1CCC([C@@H]3CCC[NH2+]3)CC1)O2 ZINC000316305417 802506675 /nfs/dbraw/zinc/50/66/75/802506675.db2.gz WOPFFBOMGWUEQD-HOTGVXAUSA-N 1 3 302.418 2.290 20 0 DEADHO CC(C)c1ccc([C@@H](C)NC(=O)[C@@H](N)C2CC[NH2+]CC2)cc1 ZINC001220964937 802516119 /nfs/dbraw/zinc/51/61/19/802516119.db2.gz UVLZJNALCVIKQN-DYVFJYSZSA-N 1 3 303.450 2.314 20 0 DEADHO COc1ccc(C)cc1NC(=O)CN(C)C1CCC([NH3+])CC1 ZINC000316757777 802523718 /nfs/dbraw/zinc/52/37/18/802523718.db2.gz IPSNRLVINBAUKO-UHFFFAOYSA-N 1 3 305.422 2.144 20 0 DEADHO CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001221631129 802598626 /nfs/dbraw/zinc/59/86/26/802598626.db2.gz CQZBCPNIHNZORT-ZACQAIPSSA-N 1 3 309.498 2.296 20 0 DEADHO CCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001221631129 802598628 /nfs/dbraw/zinc/59/86/28/802598628.db2.gz CQZBCPNIHNZORT-ZACQAIPSSA-N 1 3 309.498 2.296 20 0 DEADHO Nc1ccc(OC(F)(F)F)cc1CN1CCC(F)(C[NH3+])CC1 ZINC001222539305 802704443 /nfs/dbraw/zinc/70/44/43/802704443.db2.gz WLWFMLYJOKTBAP-UHFFFAOYSA-N 1 3 321.318 2.430 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001224402848 802864273 /nfs/dbraw/zinc/86/42/73/802864273.db2.gz QVUKGIYYHROMOJ-NVXWUHKLSA-N 1 3 311.514 2.447 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2CC2)CCC1 ZINC001226766785 803155245 /nfs/dbraw/zinc/15/52/45/803155245.db2.gz PXXCSAZTWMBMML-HZPDHXFCSA-N 1 3 307.482 2.288 20 0 DEADHO CC(C)CCC[NH+]1CCC(NC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001227817166 803283705 /nfs/dbraw/zinc/28/37/05/803283705.db2.gz KFHWZSAZABWUMC-KRWDZBQOSA-N 1 3 309.498 2.343 20 0 DEADHO CN(C)[C@H](C(=O)NC1CC[NH+](CC2=CCCCC2)CC1)C1CC1 ZINC001227818107 803284247 /nfs/dbraw/zinc/28/42/47/803284247.db2.gz QNJAJYIKAMOSPA-SFHVURJKSA-N 1 3 319.493 2.408 20 0 DEADHO CC1CC(C[NH+]2CCC(NC(=O)CN(C)C3CCC3)CC2)C1 ZINC001227833340 803286428 /nfs/dbraw/zinc/28/64/28/803286428.db2.gz WFPDURQBJNQYMQ-UHFFFAOYSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001370060664 1149372232 /nfs/dbraw/zinc/37/22/32/1149372232.db2.gz KKNXWTQHVAPTLD-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001370060664 1149372239 /nfs/dbraw/zinc/37/22/39/1149372239.db2.gz KKNXWTQHVAPTLD-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](COC(=O)C2CCCN(C3CC3)C2=O)C1 ZINC001345072026 1150863062 /nfs/dbraw/zinc/86/30/62/1150863062.db2.gz SUUWYRBISWXBHF-HOCLYGCPSA-N 1 3 322.449 2.051 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](COC(=O)C2CCCN(C3CC3)C2=O)C1 ZINC001345072026 1150863063 /nfs/dbraw/zinc/86/30/63/1150863063.db2.gz SUUWYRBISWXBHF-HOCLYGCPSA-N 1 3 322.449 2.051 20 0 DEADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001404536790 1163699743 /nfs/dbraw/zinc/69/97/43/1163699743.db2.gz SQPCCSDBKMRSBR-CYBMUJFWSA-N 1 3 323.403 2.109 20 0 DEADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC001404536790 1163699747 /nfs/dbraw/zinc/69/97/47/1163699747.db2.gz SQPCCSDBKMRSBR-CYBMUJFWSA-N 1 3 323.403 2.109 20 0 DEADHO CC(C)CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001404594891 1163735354 /nfs/dbraw/zinc/73/53/54/1163735354.db2.gz PTQAAULSNQRNMY-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001404594891 1163735369 /nfs/dbraw/zinc/73/53/69/1163735369.db2.gz PTQAAULSNQRNMY-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H](C(=O)Nc1ccc(F)cc1F)N(C)CC1CC[NH2+]CC1 ZINC001575082387 1069359018 /nfs/dbraw/zinc/35/90/18/1069359018.db2.gz NLHVVHNLUCSUJC-LLVKDONJSA-N 1 3 311.376 2.223 20 0 DEADHO CC(C)(C)N1CC[C@](F)(C(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC001575141658 1069377224 /nfs/dbraw/zinc/37/72/24/1069377224.db2.gz XRLGNFFBADITLD-GOSISDBHSA-N 1 3 319.424 2.483 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1)N(C)C ZINC001454883227 1057607508 /nfs/dbraw/zinc/60/75/08/1057607508.db2.gz VMAIFABTSLWTIY-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1)N(C)C ZINC001454883227 1057607511 /nfs/dbraw/zinc/60/75/11/1057607511.db2.gz VMAIFABTSLWTIY-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO Cn1nnc2cc(CN[C@H](CC[NH+](C)C)C(C)(C)C)ccc21 ZINC001461194312 1058608279 /nfs/dbraw/zinc/60/82/79/1058608279.db2.gz PJULEYVPUUUMBM-MRXNPFEDSA-N 1 3 303.454 2.424 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CCC(F)(F)F)C1)N(C)C ZINC001500393034 1058745367 /nfs/dbraw/zinc/74/53/67/1058745367.db2.gz KKQZTKUSDVZYJX-OCCSQVGLSA-N 1 3 323.403 2.107 20 0 DEADHO c1ccc2c(c1)CO[C@@H]2CNC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001462660312 1058876912 /nfs/dbraw/zinc/87/69/12/1058876912.db2.gz JEBJMIANWYHTLM-PKOBYXMFSA-N 1 3 316.445 2.491 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C/C=C/Cl)C2 ZINC001501007507 1059198552 /nfs/dbraw/zinc/19/85/52/1059198552.db2.gz DRMIVIUGQJULSM-POZMBQRDSA-N 1 3 313.873 2.050 20 0 DEADHO CCCC[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001501143692 1059327459 /nfs/dbraw/zinc/32/74/59/1059327459.db2.gz SNMREFNAOGDOLU-SJORKVTESA-N 1 3 309.498 2.203 20 0 DEADHO CC[C@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001368574864 1148502943 /nfs/dbraw/zinc/50/29/43/1148502943.db2.gz RVCGTWZJIBJGSE-KKUMJFAQSA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCN(C3CC3)C[C@H](C)C2)C1 ZINC001468521423 1059803166 /nfs/dbraw/zinc/80/31/66/1059803166.db2.gz CQAPGDPPRDQSOK-HOTGVXAUSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](C(=O)N2CCN(C3CC3)C[C@H](C)C2)C1 ZINC001468521423 1059803181 /nfs/dbraw/zinc/80/31/81/1059803181.db2.gz CQAPGDPPRDQSOK-HOTGVXAUSA-N 1 3 307.482 2.050 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@H]1CCCN(C/C=C/Cl)CC1 ZINC001502135725 1059981804 /nfs/dbraw/zinc/98/18/04/1059981804.db2.gz PUDPMSBDDZWRGL-KVEVGEHQSA-N 1 3 301.862 2.051 20 0 DEADHO CC[C@@H](F)C[NH2+]C1(CC)CCN(C(=O)CN2CCCC2)CC1 ZINC001502515856 1060161464 /nfs/dbraw/zinc/16/14/64/1060161464.db2.gz PJTBMERQYSOTFM-OAHLLOKOSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)c1cccc(CN[C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001505686593 1060868037 /nfs/dbraw/zinc/86/80/37/1060868037.db2.gz RIENTUSCQMABPV-HUUCEWRRSA-N 1 3 320.481 2.140 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)CC(C)(C)C[NH2+]CC2CCC2)C1 ZINC001505833811 1061015972 /nfs/dbraw/zinc/01/59/72/1061015972.db2.gz SAVQTCGCKCPUAR-HNNXBMFYSA-N 1 3 309.498 2.203 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC001477831259 1061193066 /nfs/dbraw/zinc/19/30/66/1061193066.db2.gz KEJPRDBAWKIBSH-UHFFFAOYSA-N 1 3 324.513 2.377 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC001477831259 1061193082 /nfs/dbraw/zinc/19/30/82/1061193082.db2.gz KEJPRDBAWKIBSH-UHFFFAOYSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[N@H+](C)CC1=CCCCC1 ZINC001506002215 1061249676 /nfs/dbraw/zinc/24/96/76/1061249676.db2.gz QNPRAZOGXMXCHU-HZPDHXFCSA-N 1 3 307.482 2.265 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[N@@H+](C)CC1=CCCCC1 ZINC001506002215 1061249693 /nfs/dbraw/zinc/24/96/93/1061249693.db2.gz QNPRAZOGXMXCHU-HZPDHXFCSA-N 1 3 307.482 2.265 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC[C@H]1CC=CCC1 ZINC001478957381 1061274870 /nfs/dbraw/zinc/27/48/70/1061274870.db2.gz PQNTYXFRLLATFI-IRXDYDNUSA-N 1 3 324.513 2.304 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC[C@H]1CC=CCC1 ZINC001478957381 1061274890 /nfs/dbraw/zinc/27/48/90/1061274890.db2.gz PQNTYXFRLLATFI-IRXDYDNUSA-N 1 3 324.513 2.304 20 0 DEADHO CCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001479270919 1061348637 /nfs/dbraw/zinc/34/86/37/1061348637.db2.gz PZRFDVSZYSTGAM-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]([NH2+]Cc1ccsc1)C1CC1 ZINC001480065720 1062264018 /nfs/dbraw/zinc/26/40/18/1062264018.db2.gz KBDFOPRSXWHKQA-OAHLLOKOSA-N 1 3 309.479 2.073 20 0 DEADHO C[C@H](C(=O)NC[C@H](C)[NH2+]CCC(F)(F)F)N1CCCCCC1 ZINC001480548622 1063018302 /nfs/dbraw/zinc/01/83/02/1063018302.db2.gz MOGREUVJCOCLPA-QWHCGFSZSA-N 1 3 323.403 2.298 20 0 DEADHO C[C@H]1[C@H](NCc2ccccc2F)CCN1C(=O)CCC[NH+](C)C ZINC001507290894 1063042742 /nfs/dbraw/zinc/04/27/42/1063042742.db2.gz RFUCYQKICVBOPK-WMLDXEAASA-N 1 3 321.440 2.247 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2csc(C)c2)C[C@H]1C ZINC001507329256 1063104865 /nfs/dbraw/zinc/10/48/65/1063104865.db2.gz UGTHWJLUDCINKV-CJNGLKHVSA-N 1 3 323.506 2.477 20 0 DEADHO CN(CC(=O)N1CC[C@H](C[NH2+]C/C=C\Cl)C1)CC(C)(C)C ZINC001480664845 1063160170 /nfs/dbraw/zinc/16/01/70/1063160170.db2.gz FQXZVJAOHRBXND-BRLPQQTGSA-N 1 3 315.889 2.155 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CCCF)C(C)(C)C ZINC001507949831 1063476312 /nfs/dbraw/zinc/47/63/12/1063476312.db2.gz CMAISEGXDBYFLA-HUUCEWRRSA-N 1 3 315.477 2.341 20 0 DEADHO C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CC1)N1CCCCCC1 ZINC001493139536 1063599259 /nfs/dbraw/zinc/59/92/59/1063599259.db2.gz IFTSMGZOFHMJAU-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CC1)N1CCCCCC1 ZINC001493139536 1063599269 /nfs/dbraw/zinc/59/92/69/1063599269.db2.gz IFTSMGZOFHMJAU-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN(C)CC(=O)NCC1=CC[N@H+](Cc2ccccc2)CC1 ZINC001508228547 1063622080 /nfs/dbraw/zinc/62/20/80/1063622080.db2.gz HKLZYLSETPMAFC-UHFFFAOYSA-N 1 3 315.461 2.277 20 0 DEADHO CCCN(C)CC(=O)NCC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001508228547 1063622084 /nfs/dbraw/zinc/62/20/84/1063622084.db2.gz HKLZYLSETPMAFC-UHFFFAOYSA-N 1 3 315.461 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001494073568 1064112669 /nfs/dbraw/zinc/11/26/69/1064112669.db2.gz AODLHRFVDWMHKK-OAHLLOKOSA-N 1 3 306.454 2.135 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001494073568 1064112677 /nfs/dbraw/zinc/11/26/77/1064112677.db2.gz AODLHRFVDWMHKK-OAHLLOKOSA-N 1 3 306.454 2.135 20 0 DEADHO CN(CC[NH2+]CC1CCC(C)(C)CC1)C(=O)[C@H]1CCCN1C ZINC001567476206 1064216640 /nfs/dbraw/zinc/21/66/40/1064216640.db2.gz XEDMPISBCNDLER-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)NCC1C[NH+](CCC2=CCCCC2)C1)N(C)C ZINC001494567559 1064322409 /nfs/dbraw/zinc/32/24/09/1064322409.db2.gz TVNWEUQXYXJZLA-QGZVFWFLSA-N 1 3 307.482 2.265 20 0 DEADHO CCCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCN(CC=C(C)C)C1 ZINC001567692885 1064350245 /nfs/dbraw/zinc/35/02/45/1064350245.db2.gz HPAQBTAORQNOOH-IRXDYDNUSA-N 1 3 307.482 2.217 20 0 DEADHO CCCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(CC=C(C)C)C1 ZINC001567692885 1064350261 /nfs/dbraw/zinc/35/02/61/1064350261.db2.gz HPAQBTAORQNOOH-IRXDYDNUSA-N 1 3 307.482 2.217 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CCCCCF)C1 ZINC001567734922 1064387402 /nfs/dbraw/zinc/38/74/02/1064387402.db2.gz HVJZDPRZWKOFRX-HZPDHXFCSA-N 1 3 313.461 2.001 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCCCCF)C1 ZINC001567734922 1064387411 /nfs/dbraw/zinc/38/74/11/1064387411.db2.gz HVJZDPRZWKOFRX-HZPDHXFCSA-N 1 3 313.461 2.001 20 0 DEADHO CC/C=C/CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CCC)C1 ZINC001494709618 1064426568 /nfs/dbraw/zinc/42/65/68/1064426568.db2.gz KNZJMJXTYLHLLD-CSLAMCDYSA-N 1 3 307.482 2.408 20 0 DEADHO CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CCC)C1 ZINC001494709618 1064426576 /nfs/dbraw/zinc/42/65/76/1064426576.db2.gz KNZJMJXTYLHLLD-CSLAMCDYSA-N 1 3 307.482 2.408 20 0 DEADHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccc(F)cc1 ZINC001495059718 1064673026 /nfs/dbraw/zinc/67/30/26/1064673026.db2.gz VOZWBGZMWJHKPI-YOEHRIQHSA-N 1 3 321.440 2.152 20 0 DEADHO C[C@H](C(=O)NC[C@H](C)C[NH2+]CCC1CC1)N1CCCCCC1 ZINC001568196402 1064696306 /nfs/dbraw/zinc/69/63/06/1064696306.db2.gz FALJHUZMQMQVGW-HZPDHXFCSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@@H](CC[NH2+]Cc1ccccc1)NC(=O)CN1CC[C@H](C)C1 ZINC001568678209 1065043451 /nfs/dbraw/zinc/04/34/51/1065043451.db2.gz MVLSZHVESWVJNG-HOTGVXAUSA-N 1 3 303.450 2.013 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]CC=C(Cl)Cl)N(C)C ZINC001568700394 1065061363 /nfs/dbraw/zinc/06/13/63/1065061363.db2.gz ZEVMWEKRUHEZPV-WDEREUQCSA-N 1 3 310.269 2.130 20 0 DEADHO CCN(CC[NH2+]CC1CC(C)(C)C1)C(=O)[C@H](C(C)C)N(C)C ZINC001568749803 1065098897 /nfs/dbraw/zinc/09/88/97/1065098897.db2.gz QWFPUTLMYILQAN-INIZCTEOSA-N 1 3 311.514 2.447 20 0 DEADHO CN1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCCC1CCCC1 ZINC001568826994 1065141561 /nfs/dbraw/zinc/14/15/61/1065141561.db2.gz JRNPHURZXXWSAA-BDUNBXCCSA-N 1 3 307.482 2.313 20 0 DEADHO C[C@H](CNCCF)N(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001496059655 1065256940 /nfs/dbraw/zinc/25/69/40/1065256940.db2.gz ATTPWXMPNHINNC-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H](CNCCF)N(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001496059655 1065256944 /nfs/dbraw/zinc/25/69/44/1065256944.db2.gz ATTPWXMPNHINNC-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CN2CCCC2)cc1F ZINC001496229962 1065351639 /nfs/dbraw/zinc/35/16/39/1065351639.db2.gz OBEVNQUWXUBVTR-HNNXBMFYSA-N 1 3 321.440 2.166 20 0 DEADHO CN(CCC[NH2+]CCC1=CCCCC1)C(=O)Cc1c[nH]cn1 ZINC001569243881 1065389070 /nfs/dbraw/zinc/38/90/70/1065389070.db2.gz APHYRDPFUDXAAE-UHFFFAOYSA-N 1 3 304.438 2.281 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@@H]2CC[NH2+]CC2CCC2)C1 ZINC001496410790 1065453688 /nfs/dbraw/zinc/45/36/88/1065453688.db2.gz DXYZUXCOBQLUND-SJLPKXTDSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H](c1ccccc1)N(C)CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001496817347 1065730716 /nfs/dbraw/zinc/73/07/16/1065730716.db2.gz XFBPBPFXVPRHOD-DLBZAZTESA-N 1 3 317.477 2.480 20 0 DEADHO C[C@@H](c1ccccc1)N(C)CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001496817347 1065730729 /nfs/dbraw/zinc/73/07/29/1065730729.db2.gz XFBPBPFXVPRHOD-DLBZAZTESA-N 1 3 317.477 2.480 20 0 DEADHO CCCN(C)CC(=O)N1CCC(CC)([NH2+]CC[C@@H](C)F)CC1 ZINC001368598119 1148516494 /nfs/dbraw/zinc/51/64/94/1148516494.db2.gz LMSZOIMVUDFUNF-OAHLLOKOSA-N 1 3 315.477 2.437 20 0 DEADHO CCN(CC[NH2+]Cc1cccc(F)c1)C(=O)CN1CC[C@@H](C)C1 ZINC001497454241 1066103029 /nfs/dbraw/zinc/10/30/29/1066103029.db2.gz KNGHDYFAXZQIAC-OAHLLOKOSA-N 1 3 321.440 2.106 20 0 DEADHO CC1CCN(CC(=O)NC/C=C/C[NH2+]Cc2ccsc2)CC1 ZINC001497714629 1066258014 /nfs/dbraw/zinc/25/80/14/1066258014.db2.gz OHSZQTPFVMLKEM-NSCUHMNNSA-N 1 3 321.490 2.242 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC1=CCCCC1 ZINC001497816435 1066341050 /nfs/dbraw/zinc/34/10/50/1066341050.db2.gz QWJUAHUINJHUCQ-NVXWUHKLSA-N 1 3 307.482 2.454 20 0 DEADHO CC(C)C[C@@H]1C[C@@H](NCc2nc3c(s2)C[NH2+]CC3)CCO1 ZINC001575548984 1066346113 /nfs/dbraw/zinc/34/61/13/1066346113.db2.gz BTWQAUHQEYLPQJ-QWHCGFSZSA-N 1 3 309.479 2.472 20 0 DEADHO CCc1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](CC)N(C)C)c1 ZINC001497912977 1066410306 /nfs/dbraw/zinc/41/03/06/1066410306.db2.gz QJVHQUJINDOKHE-PBHICJAKSA-N 1 3 305.466 2.184 20 0 DEADHO C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]2CCN2C2CCCC2)cc1 ZINC001576164343 1066507183 /nfs/dbraw/zinc/50/71/83/1066507183.db2.gz MTVLVHAZJRJIGG-SUMWQHHRSA-N 1 3 301.434 2.453 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H]1CN1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC001576806795 1066693162 /nfs/dbraw/zinc/69/31/62/1066693162.db2.gz JLOWBLOWLHSDPR-NTDBWNAOSA-N 1 3 301.478 2.437 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[N@H+](C)CC1CCCCC1 ZINC001498446839 1066712295 /nfs/dbraw/zinc/71/22/95/1066712295.db2.gz YYCMFXOMXWCDMD-ZDUSSCGKSA-N 1 3 306.454 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[N@@H+](C)CC1CCCCC1 ZINC001498446839 1066712306 /nfs/dbraw/zinc/71/23/06/1066712306.db2.gz YYCMFXOMXWCDMD-ZDUSSCGKSA-N 1 3 306.454 2.277 20 0 DEADHO CCC[C@@H]1CCCC[C@H]1C[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC001577377787 1066828982 /nfs/dbraw/zinc/82/89/82/1066828982.db2.gz XHYOMLTYYYCLKB-ZACQAIPSSA-N 1 3 309.498 2.380 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]CCC(F)(F)F)C1CC1)N(C)C ZINC001498856378 1066923421 /nfs/dbraw/zinc/92/34/21/1066923421.db2.gz DCXYJERBOLODMH-STQMWFEESA-N 1 3 323.403 2.009 20 0 DEADHO C[NH+](C)[C@@H]1C[C@@H](NC(=O)C[C@H](N)c2ccccc2)C12CCC2 ZINC001578411208 1067089441 /nfs/dbraw/zinc/08/94/41/1067089441.db2.gz RARKJXBICJVLPB-ARFHVFGLSA-N 1 3 301.434 2.066 20 0 DEADHO C[NH+](C)[C@@H]1C[C@H](NC(=O)C[C@H](N)c2ccccc2)C12CCC2 ZINC001578411210 1067089465 /nfs/dbraw/zinc/08/94/65/1067089465.db2.gz RARKJXBICJVLPB-HRCADAONSA-N 1 3 301.434 2.066 20 0 DEADHO CN(C)Cc1ccc(NC(=O)C2(C[NH3+])CC2)cc1C(F)(F)F ZINC001578421496 1067094938 /nfs/dbraw/zinc/09/49/38/1067094938.db2.gz SLZSEJKYOURCAF-UHFFFAOYSA-N 1 3 315.339 2.444 20 0 DEADHO CN(Cc1ccc(C(N)=O)cc1)Cc1cccc2c1CC[NH2+]C2 ZINC001578489457 1067117406 /nfs/dbraw/zinc/11/74/06/1067117406.db2.gz QLEKUPOMJWWLSU-UHFFFAOYSA-N 1 3 309.413 2.063 20 0 DEADHO C[NH2+]CC[C@H]1CCCCN1CCC(=O)Nc1ccc(OC)cc1 ZINC001578676564 1067148374 /nfs/dbraw/zinc/14/83/74/1067148374.db2.gz GFLYVXSZMOAARH-MRXNPFEDSA-N 1 3 319.449 2.488 20 0 DEADHO CC[C@H](C(=O)N(C)CC[NH2+]Cc1ccc2c(c1)CCC2)N(C)C ZINC001266988668 1078482583 /nfs/dbraw/zinc/48/25/83/1078482583.db2.gz NJGLMZHVDJYHTL-GOSISDBHSA-N 1 3 317.477 2.064 20 0 DEADHO Cc1cccc(C[NH2+]C2(CNC(=O)CN3CC[C@H](C)C3)CC2)c1 ZINC001499352400 1067194492 /nfs/dbraw/zinc/19/44/92/1067194492.db2.gz MYPAFBBEIPDYRI-INIZCTEOSA-N 1 3 315.461 2.075 20 0 DEADHO Cc1ccc2c(CCNCc3cc(C4C[NH2+]C4)no3)c[nH]c2c1 ZINC001579737009 1067413747 /nfs/dbraw/zinc/41/37/47/1067413747.db2.gz KBFQEWABXMNISM-UHFFFAOYSA-N 1 3 310.401 2.483 20 0 DEADHO [NH3+][C@@H](CN[C@@H]1CCO[C@@H](c2ccccn2)C1)CC(F)(F)F ZINC001580133381 1067505413 /nfs/dbraw/zinc/50/54/13/1067505413.db2.gz XEMOHEISAQKFET-NQBHXWOUSA-N 1 3 303.328 2.171 20 0 DEADHO [NH3+]C1(CCN2CCCC[C@H]2[C@H](O)c2ccccc2)CCOCC1 ZINC001580144486 1067508582 /nfs/dbraw/zinc/50/85/82/1067508582.db2.gz SDAGZPVBJPRPPP-ZWKOTPCHSA-N 1 3 318.461 2.473 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]C/C=C/Cl ZINC001483442710 1078536785 /nfs/dbraw/zinc/53/67/85/1078536785.db2.gz HJNNUIXEWAROOD-OVPGCVMQSA-N 1 3 315.889 2.345 20 0 DEADHO NC[C@@]12C[N@H+](C[C@@H]3CCC4(CCOCC4)CO3)C[C@H]1CCCC2 ZINC001580255007 1067542414 /nfs/dbraw/zinc/54/24/14/1067542414.db2.gz GTMMQLDGKWIJNO-AOIWGVFYSA-N 1 3 322.493 2.413 20 0 DEADHO NC[C@@]12C[N@@H+](C[C@@H]3CCC4(CCOCC4)CO3)C[C@H]1CCCC2 ZINC001580255007 1067542422 /nfs/dbraw/zinc/54/24/22/1067542422.db2.gz GTMMQLDGKWIJNO-AOIWGVFYSA-N 1 3 322.493 2.413 20 0 DEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)N1CCCc2ccccc21 ZINC001580261981 1067546449 /nfs/dbraw/zinc/54/64/49/1067546449.db2.gz ONGIQIKIOTZGGC-SJORKVTESA-N 1 3 315.461 2.463 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCC(=O)N1CCCc2ccccc21 ZINC001580261981 1067546456 /nfs/dbraw/zinc/54/64/56/1067546456.db2.gz ONGIQIKIOTZGGC-SJORKVTESA-N 1 3 315.461 2.463 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC([C@H](C)[NH2+]CCCF)CC1)N(C)C ZINC001267189960 1078653068 /nfs/dbraw/zinc/65/30/68/1078653068.db2.gz BIFYSYLLVREXEE-HOCLYGCPSA-N 1 3 315.477 2.149 20 0 DEADHO CC(C)=CC[NH2+][C@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001267223135 1078676835 /nfs/dbraw/zinc/67/68/35/1078676835.db2.gz WVDHEJGEUXPJII-MRXNPFEDSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)N(C/C=C\Cl)CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001267257831 1078703970 /nfs/dbraw/zinc/70/39/70/1078703970.db2.gz WZTIAIKYKNQOAD-OVUXIIJLSA-N 1 3 315.889 2.296 20 0 DEADHO CC(C)N(C/C=C\Cl)CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001267257831 1078703977 /nfs/dbraw/zinc/70/39/77/1078703977.db2.gz WZTIAIKYKNQOAD-OVUXIIJLSA-N 1 3 315.889 2.296 20 0 DEADHO CC(C)N(C/C=C/Cl)CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001267257832 1078704607 /nfs/dbraw/zinc/70/46/07/1078704607.db2.gz WZTIAIKYKNQOAD-VZLFFANISA-N 1 3 315.889 2.296 20 0 DEADHO CC(C)N(C/C=C/Cl)CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001267257832 1078704609 /nfs/dbraw/zinc/70/46/09/1078704609.db2.gz WZTIAIKYKNQOAD-VZLFFANISA-N 1 3 315.889 2.296 20 0 DEADHO CC1CC(C[N@H+]2CC=C(CNC(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001571695330 1068486315 /nfs/dbraw/zinc/48/63/15/1068486315.db2.gz KQNVJKLDLRYKGN-KLHKWILBSA-N 1 3 319.493 2.123 20 0 DEADHO CC1CC(C[N@@H+]2CC=C(CNC(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001571695330 1068486323 /nfs/dbraw/zinc/48/63/23/1068486323.db2.gz KQNVJKLDLRYKGN-KLHKWILBSA-N 1 3 319.493 2.123 20 0 DEADHO CCCN(C)CC(=O)NCC[N@H+](C)Cc1ccc(C)cc1C ZINC001480937513 1078810164 /nfs/dbraw/zinc/81/01/64/1078810164.db2.gz MBJJFWBAVPXFNO-UHFFFAOYSA-N 1 3 305.466 2.193 20 0 DEADHO CCCN(C)CC(=O)NCC[N@@H+](C)Cc1ccc(C)cc1C ZINC001480937513 1078810169 /nfs/dbraw/zinc/81/01/69/1078810169.db2.gz MBJJFWBAVPXFNO-UHFFFAOYSA-N 1 3 305.466 2.193 20 0 DEADHO CC(C)Cc1ccc([C@H](CNC(=O)[C@H]2CC[NH2+]C2)N(C)C)cc1 ZINC001573518484 1069027973 /nfs/dbraw/zinc/02/79/73/1069027973.db2.gz MEKLEGPWSYGKTB-ROUUACIJSA-N 1 3 317.477 2.214 20 0 DEADHO CC(C)[C@H](C(=O)NCCN(C)Cc1ccccc1)[NH+]1CCCC1 ZINC001480952134 1078903871 /nfs/dbraw/zinc/90/38/71/1078903871.db2.gz XDLQYGTWHGWHPE-GOSISDBHSA-N 1 3 317.477 2.355 20 0 DEADHO CC(C)N(CCF)CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001267510576 1078940685 /nfs/dbraw/zinc/94/06/85/1078940685.db2.gz VGWKMEQYPXPGOB-JKSUJKDBSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)N(CCF)CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001267510576 1078940689 /nfs/dbraw/zinc/94/06/89/1078940689.db2.gz VGWKMEQYPXPGOB-JKSUJKDBSA-N 1 3 313.461 2.190 20 0 DEADHO CN1CCC[C@H](N[C@@H](C[NH3+])c2ccc(Br)cc2)C1 ZINC001255471751 1083796307 /nfs/dbraw/zinc/79/63/07/1083796307.db2.gz GFPDPESAJISNGI-KBPBESRZSA-N 1 3 312.255 2.133 20 0 DEADHO c1cc([C@@H]2OCCC[C@@H]2CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)n[nH]1 ZINC001548942983 1072953462 /nfs/dbraw/zinc/95/34/62/1072953462.db2.gz DZJNZLVERBININ-WBTNSWJXSA-N 1 3 304.438 2.094 20 0 DEADHO c1cc([C@@H]2OCCC[C@@H]2CN[C@H]2CC[N@H+]3CCC[C@H]3C2)n[nH]1 ZINC001548942983 1072953467 /nfs/dbraw/zinc/95/34/67/1072953467.db2.gz DZJNZLVERBININ-WBTNSWJXSA-N 1 3 304.438 2.094 20 0 DEADHO NC[C@]12CCC[C@@H]1C[N@H+](CCC(=O)NCC1CCCCC1)C2 ZINC001549115454 1073027840 /nfs/dbraw/zinc/02/78/40/1073027840.db2.gz GNFNWOWYOGLIHT-AEFFLSMTSA-N 1 3 307.482 2.134 20 0 DEADHO NC[C@]12CCC[C@@H]1C[N@@H+](CCC(=O)NCC1CCCCC1)C2 ZINC001549115454 1073027850 /nfs/dbraw/zinc/02/78/50/1073027850.db2.gz GNFNWOWYOGLIHT-AEFFLSMTSA-N 1 3 307.482 2.134 20 0 DEADHO NC[C@@]12CCC[C@@H]1C[N@H+](CCC(=O)Nc1ccc(F)cc1)C2 ZINC001549116199 1073028034 /nfs/dbraw/zinc/02/80/34/1073028034.db2.gz MCGVIGDOMGUXON-CXAGYDPISA-N 1 3 305.397 2.215 20 0 DEADHO NC[C@@]12CCC[C@@H]1C[N@@H+](CCC(=O)Nc1ccc(F)cc1)C2 ZINC001549116199 1073028039 /nfs/dbraw/zinc/02/80/39/1073028039.db2.gz MCGVIGDOMGUXON-CXAGYDPISA-N 1 3 305.397 2.215 20 0 DEADHO [NH3+][C@@H]1CCCCC[C@H]1C(=O)Nc1ccc2c(c1)CNCCO2 ZINC001549901584 1073324155 /nfs/dbraw/zinc/32/41/55/1073324155.db2.gz DCBFIJROLMVHCY-HUUCEWRRSA-N 1 3 303.406 2.015 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+][C@@H](C)c2ccc(F)cc2)CC1)N(C)C ZINC001483784385 1079119001 /nfs/dbraw/zinc/11/90/01/1079119001.db2.gz SDHOXIOFHFTZLW-BBRMVZONSA-N 1 3 321.440 2.465 20 0 DEADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cncs3)C2)[C@H]1C(C)C ZINC001550422773 1073648411 /nfs/dbraw/zinc/64/84/11/1073648411.db2.gz CYKULGMDCKEURA-JONQDZQNSA-N 1 3 309.479 2.103 20 0 DEADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cncs3)C2)[C@H]1C(C)C ZINC001550422773 1073648418 /nfs/dbraw/zinc/64/84/18/1073648418.db2.gz CYKULGMDCKEURA-JONQDZQNSA-N 1 3 309.479 2.103 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3cnc(C)s3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550423992 1073649815 /nfs/dbraw/zinc/64/98/15/1073649815.db2.gz WIHXZFVAFUXEOJ-TWMKSMIVSA-N 1 3 323.506 2.411 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3cnc(C)s3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550423992 1073649816 /nfs/dbraw/zinc/64/98/16/1073649816.db2.gz WIHXZFVAFUXEOJ-TWMKSMIVSA-N 1 3 323.506 2.411 20 0 DEADHO COC1(OC)CC[C@@H]1[NH2+]C[C@H]1CN(C)C[C@H]1c1ccccc1 ZINC001550512205 1073683946 /nfs/dbraw/zinc/68/39/46/1073683946.db2.gz STJSOSCGYVRRKU-ULQDDVLXSA-N 1 3 304.434 2.073 20 0 DEADHO CCC[C@H](C)[C@@H](CO)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001414170796 1079144139 /nfs/dbraw/zinc/14/41/39/1079144139.db2.gz ZYLADMVUEDRHRF-PBHCIXSXSA-N 1 3 312.498 2.407 20 0 DEADHO C[C@]1(CN2C[C@H]3COC[C@]3(c3ccccc3)C2)CCC[NH2+]C1 ZINC001551401565 1074206130 /nfs/dbraw/zinc/20/61/30/1074206130.db2.gz VJRSSWPJMWDRPF-FHWLQOOXSA-N 1 3 300.446 2.276 20 0 DEADHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)NCc1ccccc1Cl ZINC001369276905 1148888765 /nfs/dbraw/zinc/88/87/65/1148888765.db2.gz LZJHSJSDIWBDCN-ZDUSSCGKSA-N 1 3 311.857 2.228 20 0 DEADHO CC(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001369276023 1148888663 /nfs/dbraw/zinc/88/86/63/1148888663.db2.gz MCMVYAMOOMVYDC-WMLDXEAASA-N 1 3 315.477 2.291 20 0 DEADHO CN1CCCC[C@H](C[NH2+]C[C@H](O)COCc2ccccc2F)C1 ZINC001646526002 1074470580 /nfs/dbraw/zinc/47/05/80/1074470580.db2.gz OOQODHYPNLGERE-WBVHZDCISA-N 1 3 324.440 2.025 20 0 DEADHO C[N@@H+]1CCCC[C@H](CNC[C@H](O)COCc2ccccc2F)C1 ZINC001646526002 1074470584 /nfs/dbraw/zinc/47/05/84/1074470584.db2.gz OOQODHYPNLGERE-WBVHZDCISA-N 1 3 324.440 2.025 20 0 DEADHO C[N@H+]1CCCC[C@H](CNC[C@H](O)COCc2ccccc2F)C1 ZINC001646526002 1074470588 /nfs/dbraw/zinc/47/05/88/1074470588.db2.gz OOQODHYPNLGERE-WBVHZDCISA-N 1 3 324.440 2.025 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC001646617538 1074503276 /nfs/dbraw/zinc/50/32/76/1074503276.db2.gz CUJNQKOWMRZYIA-DLBZAZTESA-N 1 3 303.450 2.280 20 0 DEADHO C[C@@H]1CN(C(=O)NC2CCC(C)(C[NH3+])CC2)CCN(C2CC2)C1 ZINC001552345298 1074548899 /nfs/dbraw/zinc/54/88/99/1074548899.db2.gz MSSMZYOSAJKGJS-SYJJWHGVSA-N 1 3 322.497 2.020 20 0 DEADHO CCn1cc([C@@H]2OCC[C@@H]2CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC001552375445 1074559005 /nfs/dbraw/zinc/55/90/05/1074559005.db2.gz IOLMWWYWVUNZHJ-NRSFXHEJSA-N 1 3 318.465 2.197 20 0 DEADHO CCn1cc([C@@H]2OCC[C@@H]2CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC001552375445 1074559012 /nfs/dbraw/zinc/55/90/12/1074559012.db2.gz IOLMWWYWVUNZHJ-NRSFXHEJSA-N 1 3 318.465 2.197 20 0 DEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCO[C@@H]2c2ccnn2C)C1 ZINC001552381054 1074560416 /nfs/dbraw/zinc/56/04/16/1074560416.db2.gz OGUIVOKKELYPJC-CUSZFKRNSA-N 1 3 320.481 2.350 20 0 DEADHO CC[C@@H](N)C(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001646821794 1074635205 /nfs/dbraw/zinc/63/52/05/1074635205.db2.gz ZEGNBYMOERAHDB-QGZVFWFLSA-N 1 3 315.461 2.337 20 0 DEADHO CCCN1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC001647106586 1074797763 /nfs/dbraw/zinc/79/77/63/1074797763.db2.gz REWBWHHPCBEVQX-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001647106586 1074797765 /nfs/dbraw/zinc/79/77/65/1074797765.db2.gz REWBWHHPCBEVQX-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN1CCCC[C@H]1C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC001647245976 1074856137 /nfs/dbraw/zinc/85/61/37/1074856137.db2.gz KUJCJIOYXVQWAB-RDJZCZTQSA-N 1 3 309.498 2.440 20 0 DEADHO CN(C)[C@@H]1CCC[N@H+](C[C@@H](O)CC[C@@H](O)c2ccccc2)CC1 ZINC001650057192 1079383707 /nfs/dbraw/zinc/38/37/07/1079383707.db2.gz CCQKPNYVBTZEDI-CEXWTWQISA-N 1 3 320.477 2.277 20 0 DEADHO CN(C)[C@@H]1CCC[N@@H+](C[C@@H](O)CC[C@@H](O)c2ccccc2)CC1 ZINC001650057192 1079383715 /nfs/dbraw/zinc/38/37/15/1079383715.db2.gz CCQKPNYVBTZEDI-CEXWTWQISA-N 1 3 320.477 2.277 20 0 DEADHO CC(C)=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001566877703 1075372332 /nfs/dbraw/zinc/37/23/32/1075372332.db2.gz DFRKFECDKOJBQZ-DLBZAZTESA-N 1 3 309.498 2.367 20 0 DEADHO CC(C)=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001566877703 1075372334 /nfs/dbraw/zinc/37/23/34/1075372334.db2.gz DFRKFECDKOJBQZ-DLBZAZTESA-N 1 3 309.498 2.367 20 0 DEADHO CC(C)=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001566903702 1075379730 /nfs/dbraw/zinc/37/97/30/1075379730.db2.gz SJZQCVKIFZUMIB-DLBZAZTESA-N 1 3 309.498 2.367 20 0 DEADHO C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589955254 1076534587 /nfs/dbraw/zinc/53/45/87/1076534587.db2.gz LBZPYUNPZILPCK-JQRITLKVSA-N 1 3 314.437 2.390 20 0 DEADHO C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589955254 1076534594 /nfs/dbraw/zinc/53/45/94/1076534594.db2.gz LBZPYUNPZILPCK-JQRITLKVSA-N 1 3 314.437 2.390 20 0 DEADHO C[NH+](C)CCC1CC[NH+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001591015605 1076704208 /nfs/dbraw/zinc/70/42/08/1076704208.db2.gz ISNSNKYLQONBMU-UHFFFAOYSA-N 1 3 314.437 2.030 20 0 DEADHO C[NH+](C)CCC1CC[NH+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001591015605 1076704210 /nfs/dbraw/zinc/70/42/10/1076704210.db2.gz ISNSNKYLQONBMU-UHFFFAOYSA-N 1 3 314.437 2.030 20 0 DEADHO C[C@@H](c1cccc(-c2nnn[n-]2)c1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC001609140860 1077770308 /nfs/dbraw/zinc/77/03/08/1077770308.db2.gz VUIISVVPRWJIBH-ZDUSSCGKSA-N 1 3 314.437 2.201 20 0 DEADHO C[C@@H](c1cccc(-c2nn[n-]n2)c1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC001609140860 1077770312 /nfs/dbraw/zinc/77/03/12/1077770312.db2.gz VUIISVVPRWJIBH-ZDUSSCGKSA-N 1 3 314.437 2.201 20 0 DEADHO CCCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001484338125 1079548055 /nfs/dbraw/zinc/54/80/55/1079548055.db2.gz GFZKRBTZDQAHFB-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)C[NH2+]C/C=C/Cl ZINC001268015014 1079697044 /nfs/dbraw/zinc/69/70/44/1079697044.db2.gz FAOILCBXCRFGDD-LHRNQBEKSA-N 1 3 323.868 2.456 20 0 DEADHO CC[C@H](F)C[N@@H+]1CCC[C@@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001484716585 1079741414 /nfs/dbraw/zinc/74/14/14/1079741414.db2.gz NAVUZYDNNUVLQA-LSDHHAIUSA-N 1 3 313.461 2.190 20 0 DEADHO CC[C@H](F)C[N@H+]1CCC[C@@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001484716585 1079741425 /nfs/dbraw/zinc/74/14/25/1079741425.db2.gz NAVUZYDNNUVLQA-LSDHHAIUSA-N 1 3 313.461 2.190 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001481462566 1079909511 /nfs/dbraw/zinc/90/95/11/1079909511.db2.gz SZYYUIHSBGHEAB-QZTJIDSGSA-N 1 3 321.509 2.489 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001481462566 1079909517 /nfs/dbraw/zinc/90/95/17/1079909517.db2.gz SZYYUIHSBGHEAB-QZTJIDSGSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H](C[NH2+]CCC1CCCC1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001268085446 1080040718 /nfs/dbraw/zinc/04/07/18/1080040718.db2.gz IQLPCWYKFJXWHD-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](NCc1sccc1Cl)[C@H](C)NC(=O)CC[NH+](C)C ZINC001485190975 1080055476 /nfs/dbraw/zinc/05/54/76/1080055476.db2.gz RTZWZAGPFHBIBD-MNOVXSKESA-N 1 3 317.886 2.336 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC000982011640 1080182614 /nfs/dbraw/zinc/18/26/14/1080182614.db2.gz HCZKTYGLVXNJOJ-IAGOWNOFSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC000982011640 1080182622 /nfs/dbraw/zinc/18/26/22/1080182622.db2.gz HCZKTYGLVXNJOJ-IAGOWNOFSA-N 1 3 321.509 2.441 20 0 DEADHO O=C(CC[NH+]1CCCCC1)NCC1CN(CC2=CCCCC2)C1 ZINC001481669007 1080276337 /nfs/dbraw/zinc/27/63/37/1080276337.db2.gz BTHDILOPVODNRH-UHFFFAOYSA-N 1 3 319.493 2.411 20 0 DEADHO CCc1cccc(CN2CC([C@@H](C)NC(=O)CC[NH+](C)C)C2)c1 ZINC001485523379 1080280079 /nfs/dbraw/zinc/28/00/79/1080280079.db2.gz RUDWGCCEMUQDDJ-OAHLLOKOSA-N 1 3 317.477 2.137 20 0 DEADHO C[C@H](CC[NH2+]CC[C@H](C)F)NC(=O)C(C)(C)N1CCCCC1 ZINC001268364065 1080376194 /nfs/dbraw/zinc/37/61/94/1080376194.db2.gz APSIQVNOUIVPAZ-LSDHHAIUSA-N 1 3 315.477 2.483 20 0 DEADHO C[C@H](CCC[NH2+]CCF)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001485739317 1080400767 /nfs/dbraw/zinc/40/07/67/1080400767.db2.gz PYOZXTPPWMLWRZ-CJNGLKHVSA-N 1 3 319.440 2.043 20 0 DEADHO CN(C)C1(C(=O)N(C)[C@@H](C[NH2+]CC2CCCC2)C2CC2)CCC1 ZINC001485813739 1080485913 /nfs/dbraw/zinc/48/59/13/1080485913.db2.gz MFSJICGRKTXWPL-KRWDZBQOSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1)N(C)C ZINC001661499681 1080487528 /nfs/dbraw/zinc/48/75/28/1080487528.db2.gz ZHLRWYADCUXTFE-ULQDDVLXSA-N 1 3 307.482 2.310 20 0 DEADHO CCN(CC[NH2+]CC(C)C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001268478991 1080590587 /nfs/dbraw/zinc/59/05/87/1080590587.db2.gz ABHZNIFYNKVYCI-QGZVFWFLSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)=CC[NH2+][C@@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001662425582 1080608285 /nfs/dbraw/zinc/60/82/85/1080608285.db2.gz SNQDDRIAZHGBTJ-HNNXBMFYSA-N 1 3 303.450 2.422 20 0 DEADHO CC[C@H](C(=O)N(CC)CC[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001268493078 1080628510 /nfs/dbraw/zinc/62/85/10/1080628510.db2.gz QXBVHEPKFBXLBT-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)N(CC)CC[NH2+]Cc1cccc(F)c1)N(C)C ZINC001268493110 1080628935 /nfs/dbraw/zinc/62/89/35/1080628935.db2.gz SFLPIXHIRYPTTI-MRXNPFEDSA-N 1 3 309.429 2.104 20 0 DEADHO CNC(=O)c1ccc(CNCc2cccc(C[NH+](C)C)c2)cc1 ZINC000078543231 1080639515 /nfs/dbraw/zinc/63/95/15/1080639515.db2.gz JGLGIZDPZUUKRA-UHFFFAOYSA-N 1 3 311.429 2.398 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](CC[NH2+]CC3CCC3)C2)C1 ZINC001481983731 1080668102 /nfs/dbraw/zinc/66/81/02/1080668102.db2.gz KISNVIMYWGPEJK-AEFFLSMTSA-N 1 3 321.509 2.347 20 0 DEADHO Cc1cccc(C[NH2+]C/C=C/CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001268552458 1080748438 /nfs/dbraw/zinc/74/84/38/1080748438.db2.gz PXATVKCCQSURAS-DKFQHHCZSA-N 1 3 317.477 2.343 20 0 DEADHO CC(C)=CCN1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001663513065 1080761562 /nfs/dbraw/zinc/76/15/62/1080761562.db2.gz RITSXCXCLQMIKZ-INIZCTEOSA-N 1 3 307.482 2.408 20 0 DEADHO C[C@H]1CCN(CC(=O)NC/C=C\C[NH2+]CC2=CCCCC2)C1 ZINC001268590643 1080835646 /nfs/dbraw/zinc/83/56/46/1080835646.db2.gz HZUGQDFNHGPTAR-KJPDOMRESA-N 1 3 305.466 2.091 20 0 DEADHO Cc1ccc(F)c(CNCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC001663995536 1080847462 /nfs/dbraw/zinc/84/74/62/1080847462.db2.gz IHBLXMRFSKHECI-KRWDZBQOSA-N 1 3 323.456 2.268 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]C/C=C\c1ccccc1)N(C)C ZINC001268711712 1080945449 /nfs/dbraw/zinc/94/54/49/1080945449.db2.gz RPRXPIVOQWJGTF-UKGUVBINSA-N 1 3 303.450 2.134 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(CCCCCF)C2)CC[N@@H+]1C ZINC001664993508 1080982266 /nfs/dbraw/zinc/98/22/66/1080982266.db2.gz OTYZIMTVZMJLPT-BZUAXINKSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(CCCCCF)C2)CC[N@H+]1C ZINC001664993508 1080982272 /nfs/dbraw/zinc/98/22/72/1080982272.db2.gz OTYZIMTVZMJLPT-BZUAXINKSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)=CC[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001667291378 1081234447 /nfs/dbraw/zinc/23/44/47/1081234447.db2.gz WWHBOKAYLLHSRA-INIZCTEOSA-N 1 3 304.438 2.279 20 0 DEADHO CC[C@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCCF ZINC001269470981 1081258483 /nfs/dbraw/zinc/25/84/83/1081258483.db2.gz CWGWZWDZMRQAGQ-CZUORRHYSA-N 1 3 319.440 2.043 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1csc(C)c1)N(C)C ZINC001668106941 1081316422 /nfs/dbraw/zinc/31/64/22/1081316422.db2.gz QPJBZCQYEWSAPP-IUODEOHRSA-N 1 3 311.495 2.381 20 0 DEADHO CC[C@H](C(=O)N(CC)CC[NH2+]C[C@H]1CCC(F)(F)C1)N(C)C ZINC001668618876 1081372977 /nfs/dbraw/zinc/37/29/77/1081372977.db2.gz CFBKZXDOHJLYNZ-UONOGXRCSA-N 1 3 319.440 2.200 20 0 DEADHO Cc1ccc(C)c(C[NH2+]CCCN(C)C(=O)[C@H]2CCCN2C)c1 ZINC001670042272 1081492479 /nfs/dbraw/zinc/49/24/79/1081492479.db2.gz WOWFJTTVANIPQJ-GOSISDBHSA-N 1 3 317.477 2.336 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2ccccc2)C1 ZINC001672917323 1081721596 /nfs/dbraw/zinc/72/15/96/1081721596.db2.gz VCPSOPKEWLPGEW-GOSISDBHSA-N 1 3 317.477 2.355 20 0 DEADHO CCCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001672917603 1081722319 /nfs/dbraw/zinc/72/23/19/1081722319.db2.gz XVGUTGLWEIUAES-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H](C[NH2+]CC1CCC2(CC2)CC1)N(C)C(=O)Cc1c[nH]cn1 ZINC001482334885 1081729819 /nfs/dbraw/zinc/72/98/19/1081729819.db2.gz CLDCDBGXOJTYOS-CQSZACIVSA-N 1 3 318.465 2.359 20 0 DEADHO CC(C)C[C@@H](CNCCF)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001482395472 1081790111 /nfs/dbraw/zinc/79/01/11/1081790111.db2.gz KQOPYKCSJOYRSM-HOTGVXAUSA-N 1 3 315.477 2.341 20 0 DEADHO CN(CC(=O)NC1CC(C[NH2+]CCC2CC2)C1)CC(C)(C)C ZINC001674582967 1081891553 /nfs/dbraw/zinc/89/15/53/1081891553.db2.gz DJYLSRFCPALDIR-UHFFFAOYSA-N 1 3 309.498 2.249 20 0 DEADHO O=C(CCCC[NH+]1CCCC1)N[C@@H]1CCCN(CCCF)C1 ZINC001266252769 1081917991 /nfs/dbraw/zinc/91/79/91/1081917991.db2.gz ZVINORJCWDMQEI-MRXNPFEDSA-N 1 3 313.461 2.193 20 0 DEADHO COCCN(C)CCC[NH2+]Cc1cc(OC)cc2c1O[C@@H](C)C2 ZINC001648786316 1081927900 /nfs/dbraw/zinc/92/79/00/1081927900.db2.gz VMFYYTOZPBNDRQ-AWEZNQCLSA-N 1 3 322.449 2.077 20 0 DEADHO CN(CCNC(=O)C12CCC[NH+]1CCC2)CC1=CCCCC1 ZINC001266293113 1081948234 /nfs/dbraw/zinc/94/82/34/1081948234.db2.gz JGVJXOPQUQFVAE-UHFFFAOYSA-N 1 3 305.466 2.163 20 0 DEADHO CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001671257279 1081973645 /nfs/dbraw/zinc/97/36/45/1081973645.db2.gz QBOQFROPYIIMJR-XPQDNOAISA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC1CC(C)C1 ZINC001482534283 1082171199 /nfs/dbraw/zinc/17/11/99/1082171199.db2.gz RIEKVDWYKOIAAU-GPANFISMSA-N 1 3 309.498 2.247 20 0 DEADHO CCCCCC[N@H+]1C[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C1 ZINC001271880584 1082179249 /nfs/dbraw/zinc/17/92/49/1082179249.db2.gz RLYPJGYWMHYKON-OKZBNKHCSA-N 1 3 321.509 2.299 20 0 DEADHO CCCCCC[N@@H+]1C[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C1 ZINC001271880584 1082179250 /nfs/dbraw/zinc/17/92/50/1082179250.db2.gz RLYPJGYWMHYKON-OKZBNKHCSA-N 1 3 321.509 2.299 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001271930702 1082197942 /nfs/dbraw/zinc/19/79/42/1082197942.db2.gz ABJGUTLRQNQBSN-WMZOPIPTSA-N 1 3 307.482 2.195 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001271930702 1082197944 /nfs/dbraw/zinc/19/79/44/1082197944.db2.gz ABJGUTLRQNQBSN-WMZOPIPTSA-N 1 3 307.482 2.195 20 0 DEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c(s2)CNCC3)C[C@@H]1C ZINC001648975563 1082278457 /nfs/dbraw/zinc/27/84/57/1082278457.db2.gz UCCJSBLJTDFMBF-GXTWGEPZSA-N 1 3 321.490 2.339 20 0 DEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc3c(s2)CNCC3)C[C@@H]1C ZINC001648975563 1082278466 /nfs/dbraw/zinc/27/84/66/1082278466.db2.gz UCCJSBLJTDFMBF-GXTWGEPZSA-N 1 3 321.490 2.339 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CC[NH2+]Cc1cccc(F)c1 ZINC001482890203 1082548483 /nfs/dbraw/zinc/54/84/83/1082548483.db2.gz LMTGALGMFRSXFD-GFCCVEGCSA-N 1 3 318.396 2.084 20 0 DEADHO CC[C@H](C(=O)NC/C=C/C[NH2+][C@@H]1CCc2ccccc21)N(C)C ZINC001483024644 1082628250 /nfs/dbraw/zinc/62/82/50/1082628250.db2.gz WLWJTTQBRCACME-HNGSOEQISA-N 1 3 315.461 2.276 20 0 DEADHO C[C@H](NCCF)[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001409382602 1082859551 /nfs/dbraw/zinc/85/95/51/1082859551.db2.gz SFQIEMGSAMAWON-STQMWFEESA-N 1 3 301.450 2.092 20 0 DEADHO C[C@H](NCCF)[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001409382602 1082859547 /nfs/dbraw/zinc/85/95/47/1082859547.db2.gz SFQIEMGSAMAWON-STQMWFEESA-N 1 3 301.450 2.092 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)NCc1ccccc1F ZINC001409433867 1082887121 /nfs/dbraw/zinc/88/71/21/1082887121.db2.gz XDRSLVXNEBKXKD-ZIAGYGMSSA-N 1 3 309.429 2.150 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H](C)NCc1ccccc1F ZINC001409433867 1082887124 /nfs/dbraw/zinc/88/71/24/1082887124.db2.gz XDRSLVXNEBKXKD-ZIAGYGMSSA-N 1 3 309.429 2.150 20 0 DEADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[N@H+](C)CC1CC1 ZINC001409700309 1083024054 /nfs/dbraw/zinc/02/40/54/1083024054.db2.gz XYBLEHUFRSLZFL-AWEZNQCLSA-N 1 3 303.450 2.208 20 0 DEADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[N@@H+](C)CC1CC1 ZINC001409700309 1083024058 /nfs/dbraw/zinc/02/40/58/1083024058.db2.gz XYBLEHUFRSLZFL-AWEZNQCLSA-N 1 3 303.450 2.208 20 0 DEADHO CCc1cccc(C[NH2+]C[C@H](C)NC(=O)CN2CC[C@H](C)C2)c1 ZINC001483266628 1083064456 /nfs/dbraw/zinc/06/44/56/1083064456.db2.gz QILWKHKZUORBJM-HOTGVXAUSA-N 1 3 317.477 2.185 20 0 DEADHO CN1C[C@@H]2CC[C@@H]([NH2+]C3CCN(CCC(F)(F)F)CC3)[C@H]2C1 ZINC001413191989 1083424819 /nfs/dbraw/zinc/42/48/19/1083424819.db2.gz XELAIWDBYNJHIY-AEGPPILISA-N 1 3 319.415 2.333 20 0 DEADHO c1c[nH]c(CN2CC[C@H]3C[N@H+](C[C@H]4CCCO4)C[C@H]3CC2)c1 ZINC001276428112 1083426446 /nfs/dbraw/zinc/42/64/46/1083426446.db2.gz CKOAUSPWJBOXBQ-SOLBZPMBSA-N 1 3 303.450 2.338 20 0 DEADHO c1c[nH]c(CN2CC[C@H]3C[N@@H+](C[C@H]4CCCO4)C[C@H]3CC2)c1 ZINC001276428112 1083426452 /nfs/dbraw/zinc/42/64/52/1083426452.db2.gz CKOAUSPWJBOXBQ-SOLBZPMBSA-N 1 3 303.450 2.338 20 0 DEADHO c1n[nH]cc1CN1CCCC2(CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC001276429112 1083427567 /nfs/dbraw/zinc/42/75/67/1083427567.db2.gz UFNRLDHUOPCQMT-QGZVFWFLSA-N 1 3 318.465 2.267 20 0 DEADHO C[C@@H](C(=O)N1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@H]1C)[NH+](C)C ZINC001413220676 1083448357 /nfs/dbraw/zinc/44/83/57/1083448357.db2.gz DAFVACGXLSLXPA-HZMVEIRTSA-N 1 3 317.477 2.446 20 0 DEADHO COCCN(Cc1ccc(C)c(OC)n1)CC1CC[NH+](C)CC1 ZINC001413237793 1083461931 /nfs/dbraw/zinc/46/19/31/1083461931.db2.gz ZKDBHIWGVOETQR-UHFFFAOYSA-N 1 3 321.465 2.189 20 0 DEADHO CN(C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCOC(C)(C)C1 ZINC001276671707 1083541530 /nfs/dbraw/zinc/54/15/30/1083541530.db2.gz NQLNMSKOLSZXRF-OOKSDGMUSA-N 1 3 323.525 2.338 20 0 DEADHO CN(C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCOC(C)(C)C1 ZINC001276671707 1083541541 /nfs/dbraw/zinc/54/15/41/1083541541.db2.gz NQLNMSKOLSZXRF-OOKSDGMUSA-N 1 3 323.525 2.338 20 0 DEADHO Nc1ccncc1CN1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001276714234 1083565382 /nfs/dbraw/zinc/56/53/82/1083565382.db2.gz ZQZPFEJCFXIGBV-UHFFFAOYSA-N 1 3 300.450 2.335 20 0 DEADHO CC/C=C\CCN1CC[C@H]2C[C@]21C(=O)N1CCC([NH+](C)C)CC1 ZINC001277528864 1084018824 /nfs/dbraw/zinc/01/88/24/1084018824.db2.gz AZCOHHKWUQSSEJ-JEVUSQKCSA-N 1 3 319.493 2.360 20 0 DEADHO CN1CCN(C(=O)[C@@H]2[NH2+]CC[C@H]3CCCC[C@@H]32)CCC1(C)C ZINC001649044386 1084025273 /nfs/dbraw/zinc/02/52/73/1084025273.db2.gz QCPKSBAGIHIIEQ-OWCLPIDISA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)NCc1ccsc1 ZINC001491494943 1084346575 /nfs/dbraw/zinc/34/65/75/1084346575.db2.gz JKVYAYJZRZDYNR-CQSZACIVSA-N 1 3 321.490 2.218 20 0 DEADHO C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)NCc1ccsc1 ZINC001491494942 1084347696 /nfs/dbraw/zinc/34/76/96/1084347696.db2.gz JKVYAYJZRZDYNR-AWEZNQCLSA-N 1 3 321.490 2.218 20 0 DEADHO Cc1cc(CN(C)C2CC[NH+](C)CC2)cc(C)c1OCCO ZINC001235357299 1084404317 /nfs/dbraw/zinc/40/43/17/1084404317.db2.gz HVWMCHWEFPXEDI-UHFFFAOYSA-N 1 3 306.450 2.201 20 0 DEADHO Brc1cccc([C@H]2CN(C[C@@H]3CC[NH2+]C3)CCN2)c1 ZINC001235795743 1084530902 /nfs/dbraw/zinc/53/09/02/1084530902.db2.gz PPVOCWLTVLWNOB-IUODEOHRSA-N 1 3 324.266 2.005 20 0 DEADHO F[C@@H]1CNCC[C@H]1N(Cc1ccccc1)C[C@H]1CCCC[NH2+]1 ZINC001235937744 1084569148 /nfs/dbraw/zinc/56/91/48/1084569148.db2.gz UAYRJYZHVBCASU-KZNAEPCWSA-N 1 3 305.441 2.331 20 0 DEADHO Cc1ccc(OC(C)C)cc1CN(C)CCN1CC[NH2+]CC1 ZINC001236081562 1084608387 /nfs/dbraw/zinc/60/83/87/1084608387.db2.gz QSDHYQRFCFFYQL-UHFFFAOYSA-N 1 3 305.466 2.119 20 0 DEADHO C[NH+](C)CCN1C[C@@]2(CC1=O)CCCCN2Cc1cccs1 ZINC001272932000 1084852702 /nfs/dbraw/zinc/85/27/02/1084852702.db2.gz HJVHCHQWUIUWNX-KRWDZBQOSA-N 1 3 321.490 2.267 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccccc2)C(C)(C)C1 ZINC001486246646 1085163253 /nfs/dbraw/zinc/16/32/53/1085163253.db2.gz OSEVTWUNDGDYJZ-KRWDZBQOSA-N 1 3 317.477 2.355 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC ZINC000960273067 1085176214 /nfs/dbraw/zinc/17/62/14/1085176214.db2.gz MDBLIEMPAUBUMM-FGTMMUONSA-N 1 3 315.461 2.253 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C[NH2+]C/C=C\Cl)C(C)(C)C ZINC001486420074 1085292612 /nfs/dbraw/zinc/29/26/12/1085292612.db2.gz PNVHEHSVFQGUBM-MEJMFZKBSA-N 1 3 303.878 2.201 20 0 DEADHO C[C@H](NC(=O)CN1CC[C@@H](C)C1)C1CC[NH+](CC2CCC2)CC1 ZINC001486449422 1085320711 /nfs/dbraw/zinc/32/07/11/1085320711.db2.gz WXPQBEQMCGIUKI-CVEARBPZSA-N 1 3 321.509 2.345 20 0 DEADHO CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961178276 1085626978 /nfs/dbraw/zinc/62/69/78/1085626978.db2.gz CIVVHHHENOEZGA-SJORKVTESA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961178276 1085626983 /nfs/dbraw/zinc/62/69/83/1085626983.db2.gz CIVVHHHENOEZGA-SJORKVTESA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961235926 1085647580 /nfs/dbraw/zinc/64/75/80/1085647580.db2.gz XIYSBHCFVHHVOI-CVEARBPZSA-N 1 3 318.465 2.169 20 0 DEADHO CC(C)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961235926 1085647595 /nfs/dbraw/zinc/64/75/95/1085647595.db2.gz XIYSBHCFVHHVOI-CVEARBPZSA-N 1 3 318.465 2.169 20 0 DEADHO CC[NH2+]C1CC2(CC(NC(=O)c3ccccc3CN(C)C)C2)C1 ZINC000965932850 1085699360 /nfs/dbraw/zinc/69/93/60/1085699360.db2.gz ABXQOFDIGPXZJB-UHFFFAOYSA-N 1 3 315.461 2.399 20 0 DEADHO CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC000961374328 1085710543 /nfs/dbraw/zinc/71/05/43/1085710543.db2.gz LBIJPGJFTDENNM-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC000961374328 1085710547 /nfs/dbraw/zinc/71/05/47/1085710547.db2.gz LBIJPGJFTDENNM-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CC3)C[C@H]21)N1CCCCCC1 ZINC000961958749 1085921387 /nfs/dbraw/zinc/92/13/87/1085921387.db2.gz OOIJJTJEGVGISN-DZJNRPSUSA-N 1 3 319.493 2.097 20 0 DEADHO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CC3)C[C@H]21)N1CCCCCC1 ZINC000961958749 1085921398 /nfs/dbraw/zinc/92/13/98/1085921398.db2.gz OOIJJTJEGVGISN-DZJNRPSUSA-N 1 3 319.493 2.097 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@@H]1CCc2ccccc21 ZINC001128532935 1086186563 /nfs/dbraw/zinc/18/65/63/1086186563.db2.gz BPDSLJUZUHJACG-DLBZAZTESA-N 1 3 321.440 2.060 20 0 DEADHO CC(C)CN1C[C@@]2(CC1=O)CCCCN2C[C@H]1CCC[N@H+](C)C1 ZINC001273143484 1086678293 /nfs/dbraw/zinc/67/82/93/1086678293.db2.gz HTLOJQVOFJOSIH-HKUYNNGSSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)CN1C[C@@]2(CC1=O)CCCCN2C[C@H]1CCC[N@@H+](C)C1 ZINC001273143484 1086678297 /nfs/dbraw/zinc/67/82/97/1086678297.db2.gz HTLOJQVOFJOSIH-HKUYNNGSSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[N@H+](CC2CC2)CC1(C)C)N(CC)CC ZINC001410029441 1087814629 /nfs/dbraw/zinc/81/46/29/1087814629.db2.gz QULSXLDHLOPIOQ-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[N@@H+](CC2CC2)CC1(C)C)N(CC)CC ZINC001410029441 1087814648 /nfs/dbraw/zinc/81/46/48/1087814648.db2.gz QULSXLDHLOPIOQ-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000718081985 1087987590 /nfs/dbraw/zinc/98/75/90/1087987590.db2.gz OGECRPAMCWAZPO-VDHUWJSZSA-N 1 3 315.461 2.141 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCN(CC3CCCC3)CC2)C1 ZINC000957325591 1088173000 /nfs/dbraw/zinc/17/30/00/1088173000.db2.gz QGCMBJUUGFDJJO-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001079681282 1088313465 /nfs/dbraw/zinc/31/34/65/1088313465.db2.gz FJNXRPYKYRZQTP-BRWVUGGUSA-N 1 3 307.482 2.262 20 0 DEADHO CC(C)=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001079681282 1088313472 /nfs/dbraw/zinc/31/34/72/1088313472.db2.gz FJNXRPYKYRZQTP-BRWVUGGUSA-N 1 3 307.482 2.262 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21)N(C)C ZINC001114794611 1088531095 /nfs/dbraw/zinc/53/10/95/1088531095.db2.gz MBLQRNGNVDMAFQ-FXUDXRNXSA-N 1 3 309.498 2.055 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21)N(C)C ZINC001114794611 1088531107 /nfs/dbraw/zinc/53/11/07/1088531107.db2.gz MBLQRNGNVDMAFQ-FXUDXRNXSA-N 1 3 309.498 2.055 20 0 DEADHO CC[N@H+](CC1CCN(C(=O)CN(C)C2CCC2)CC1)C(C)C ZINC000957720791 1088573191 /nfs/dbraw/zinc/57/31/91/1088573191.db2.gz XAAYZCLQOMUIFO-UHFFFAOYSA-N 1 3 309.498 2.440 20 0 DEADHO CC[N@@H+](CC1CCN(C(=O)CN(C)C2CCC2)CC1)C(C)C ZINC000957720791 1088573198 /nfs/dbraw/zinc/57/31/98/1088573198.db2.gz XAAYZCLQOMUIFO-UHFFFAOYSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C)C1)N(C)C ZINC001082747156 1090054857 /nfs/dbraw/zinc/05/48/57/1090054857.db2.gz BDSGVKSMXUOUNC-NXHRZFHOSA-N 1 3 317.477 2.272 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3CCC)[C@@H]2C1 ZINC001084389058 1090286598 /nfs/dbraw/zinc/28/65/98/1090286598.db2.gz QFJSHYKIMBDORN-BRWVUGGUSA-N 1 3 307.482 2.194 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3CCC)[C@@H]2C1 ZINC001084389058 1090286603 /nfs/dbraw/zinc/28/66/03/1090286603.db2.gz QFJSHYKIMBDORN-BRWVUGGUSA-N 1 3 307.482 2.194 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2)[C@H]1C ZINC001410873590 1091180783 /nfs/dbraw/zinc/18/07/83/1091180783.db2.gz VLDBVERXCGIHQN-NVXWUHKLSA-N 1 3 303.450 2.107 20 0 DEADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H](C)N1CCCCCC1 ZINC001412339646 1091328452 /nfs/dbraw/zinc/32/84/52/1091328452.db2.gz VLYBUCSWWDGWPS-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1ccc(CN2CCC3(C[NH+](CCn4ccnc4)C3)CC2)[nH]1 ZINC001276073857 1091510247 /nfs/dbraw/zinc/51/02/47/1091510247.db2.gz GZEBNORACDHVJH-UHFFFAOYSA-N 1 3 313.449 2.118 20 0 DEADHO CCCC[C@@H](CC)C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C)CC3)[C@@H]2C1 ZINC001275044703 1091526682 /nfs/dbraw/zinc/52/66/82/1091526682.db2.gz FDRLYAOBMJPGJS-BRWVUGGUSA-N 1 3 321.509 2.345 20 0 DEADHO CCCC[C@@H](CC)C[N@H+]1C[C@H]2C(=O)NC3(CCN(C)CC3)[C@@H]2C1 ZINC001275044703 1091526692 /nfs/dbraw/zinc/52/66/92/1091526692.db2.gz FDRLYAOBMJPGJS-BRWVUGGUSA-N 1 3 321.509 2.345 20 0 DEADHO COc1ccccc1CN1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001275252864 1091639269 /nfs/dbraw/zinc/63/92/69/1091639269.db2.gz KIJISUHTIBUGIX-UHFFFAOYSA-N 1 3 317.477 2.155 20 0 DEADHO CC(C)CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001190653498 1091951171 /nfs/dbraw/zinc/95/11/71/1091951171.db2.gz CYVMCLAFWHRFBL-SJORKVTESA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001190653498 1091951179 /nfs/dbraw/zinc/95/11/79/1091951179.db2.gz CYVMCLAFWHRFBL-SJORKVTESA-N 1 3 309.498 2.296 20 0 DEADHO CC[C@H](C)[N@@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001273924161 1092515719 /nfs/dbraw/zinc/51/57/19/1092515719.db2.gz YWVAXTLHDZBULH-KXBFYZLASA-N 1 3 315.461 2.337 20 0 DEADHO CC[C@H](C)[N@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001273924161 1092515734 /nfs/dbraw/zinc/51/57/34/1092515734.db2.gz YWVAXTLHDZBULH-KXBFYZLASA-N 1 3 315.461 2.337 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)N1CCCC1 ZINC001488648864 1092659024 /nfs/dbraw/zinc/65/90/24/1092659024.db2.gz VVJZOCTUKNSEEV-HZPDHXFCSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C)C[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)N1CCCC1 ZINC001488648864 1092659031 /nfs/dbraw/zinc/65/90/31/1092659031.db2.gz VVJZOCTUKNSEEV-HZPDHXFCSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@@H+](C)CCC(F)(F)F)C1 ZINC001420949317 1171374465 /nfs/dbraw/zinc/37/44/65/1171374465.db2.gz LZDJGKDGWBBYIK-CYBMUJFWSA-N 1 3 323.403 2.059 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC001421005898 1171423009 /nfs/dbraw/zinc/42/30/09/1171423009.db2.gz HZEIGSPJOQXGNW-QGZVFWFLSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001421005898 1171423021 /nfs/dbraw/zinc/42/30/21/1171423021.db2.gz HZEIGSPJOQXGNW-QGZVFWFLSA-N 1 3 309.498 2.296 20 0 DEADHO CN(C)CCC[N@@H+]1CCC[C@]2(CCN(Cc3ccc[nH]3)C2)C1 ZINC001278049171 1138499192 /nfs/dbraw/zinc/49/91/92/1138499192.db2.gz HPDVOLIMARCQPG-SFHVURJKSA-N 1 3 304.482 2.254 20 0 DEADHO CN(C)CCC[N@H+]1CCC[C@]2(CCN(Cc3ccc[nH]3)C2)C1 ZINC001278049171 1138499201 /nfs/dbraw/zinc/49/92/01/1138499201.db2.gz HPDVOLIMARCQPG-SFHVURJKSA-N 1 3 304.482 2.254 20 0 DEADHO CCc1ccc(NC(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)cc1 ZINC001239216269 1138990931 /nfs/dbraw/zinc/99/09/31/1138990931.db2.gz NLZPAUMHSQGQNC-INIZCTEOSA-N 1 3 316.449 2.245 20 0 DEADHO CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)NCCF ZINC001421449086 1171804278 /nfs/dbraw/zinc/80/42/78/1171804278.db2.gz HJTVWEZOJFMSSD-ZBFHGGJFSA-N 1 3 313.461 2.237 20 0 DEADHO CC[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)NCCF ZINC001421449086 1171804281 /nfs/dbraw/zinc/80/42/81/1171804281.db2.gz HJTVWEZOJFMSSD-ZBFHGGJFSA-N 1 3 313.461 2.237 20 0 DEADHO CC[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)[NH2+]CCCF ZINC001318582925 1140369153 /nfs/dbraw/zinc/36/91/53/1140369153.db2.gz WETVUAPSMMTHMY-GJZGRUSLSA-N 1 3 301.450 2.095 20 0 DEADHO CC[C@@H](C(=O)N1CCC(CC[NH2+]C/C=C/Cl)CC1)N(C)C ZINC001318929438 1140470915 /nfs/dbraw/zinc/47/09/15/1140470915.db2.gz QCTGAKMNZMNVIY-BOSPYUDASA-N 1 3 315.889 2.297 20 0 DEADHO CCCC[C@H](CC)COC[C@H](O)CNC[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001245987079 1140842194 /nfs/dbraw/zinc/84/21/94/1140842194.db2.gz BDWLEMJRXOVJOX-VSZNYVQBSA-N 1 3 314.514 2.416 20 0 DEADHO CC(C)c1ccc(OC[C@@H](O)CNC[C@@H]2C[NH2+]C[C@@H](C)C2)cc1 ZINC001245994170 1140843587 /nfs/dbraw/zinc/84/35/87/1140843587.db2.gz QIDGMTMDZDOAAA-BQFCYCMXSA-N 1 3 320.477 2.385 20 0 DEADHO C[C@H]1CN(C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C[C@H]1C[NH3+] ZINC001246015403 1140845745 /nfs/dbraw/zinc/84/57/45/1140845745.db2.gz GVUDYUDTQUHYKQ-ZMSDIMECSA-N 1 3 320.477 2.250 20 0 DEADHO CCCC[C@H](CC)COC[C@H](O)CN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001246018493 1140847178 /nfs/dbraw/zinc/84/71/78/1140847178.db2.gz DSMBZHMONYSRFK-XMTFNYHQSA-N 1 3 314.514 2.497 20 0 DEADHO C[C@]1(C[NH3+])CCCCN(C[C@H](O)COc2ccc(F)cc2)C1 ZINC001246018881 1140847233 /nfs/dbraw/zinc/84/72/33/1140847233.db2.gz CLOQSEGBWLSGGW-DOTOQJQBSA-N 1 3 310.413 2.016 20 0 DEADHO C[C@@]1(C[NH3+])CCCCN(C[C@H](O)COc2ccc(F)cc2)C1 ZINC001246018883 1140847487 /nfs/dbraw/zinc/84/74/87/1140847487.db2.gz CLOQSEGBWLSGGW-RDJZCZTQSA-N 1 3 310.413 2.016 20 0 DEADHO [NH3+]C[C@]1(F)CCCN(C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC001246019659 1140847674 /nfs/dbraw/zinc/84/76/74/1140847674.db2.gz JFSLYWIUSAKHKJ-CABCVRRESA-N 1 3 302.340 2.151 20 0 DEADHO CC(C)C[C@@H](Cc1ccccc1)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246078332 1140857680 /nfs/dbraw/zinc/85/76/80/1140857680.db2.gz AHWWNWDAOCWOFS-OKZBNKHCSA-N 1 3 308.441 2.296 20 0 DEADHO C[C@@H]1C[C@H](NCCN2CCC(Cc3ccccc3)CC2)C[NH2+]1 ZINC001246091602 1140860143 /nfs/dbraw/zinc/86/01/43/1140860143.db2.gz FPHIITNFOYFKAO-APWZRJJASA-N 1 3 301.478 2.281 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cccc(F)c1)N(C)C ZINC001320463085 1140868674 /nfs/dbraw/zinc/86/86/74/1140868674.db2.gz DZDOCEIGOHBNAY-XJKSGUPXSA-N 1 3 309.429 2.150 20 0 DEADHO COc1ccccc1C1(C[NH2+][C@@H]2CCN[C@@H](C)C2)CCOCC1 ZINC001246268058 1140880056 /nfs/dbraw/zinc/88/00/56/1140880056.db2.gz GYPUTENNICTSLY-JKSUJKDBSA-N 1 3 318.461 2.474 20 0 DEADHO Nc1ncc(CC[NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)s1 ZINC001246320176 1140883905 /nfs/dbraw/zinc/88/39/05/1140883905.db2.gz HOOJOJWGLOULQS-HUUCEWRRSA-N 1 3 316.474 2.221 20 0 DEADHO Nc1ncc(CCN[C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)s1 ZINC001246320176 1140883906 /nfs/dbraw/zinc/88/39/06/1140883906.db2.gz HOOJOJWGLOULQS-HUUCEWRRSA-N 1 3 316.474 2.221 20 0 DEADHO c1ccc(CC2(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCOCC2)nc1 ZINC001246375129 1140890247 /nfs/dbraw/zinc/89/02/47/1140890247.db2.gz OUIUZLYVCBOVAY-FKEKPDDDSA-N 1 3 301.434 2.046 20 0 DEADHO CC(C)C[C@H](Cc1ccccc1)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246416818 1140896123 /nfs/dbraw/zinc/89/61/23/1140896123.db2.gz MHJZRWGORVMIJU-SJORKVTESA-N 1 3 305.466 2.216 20 0 DEADHO C[C@@H](CC(F)(F)F)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001246521428 1140933878 /nfs/dbraw/zinc/93/38/78/1140933878.db2.gz VHCIJNQQMUAHIM-RYUDHWBXSA-N 1 3 309.376 2.037 20 0 DEADHO C[C@]1([NH3+])CCCN([C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001246548030 1140953180 /nfs/dbraw/zinc/95/31/80/1140953180.db2.gz FBZAVKFYJDOGKR-HKUYNNGSSA-N 1 3 315.461 2.495 20 0 DEADHO COC(=O)c1ccc(C[C@@H](C)N2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001246611531 1141003871 /nfs/dbraw/zinc/00/38/71/1141003871.db2.gz UWPLGHIFWYNVPL-DNVCBOLYSA-N 1 3 316.445 2.480 20 0 DEADHO Cc1cc(C)cc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCCN2C)c1 ZINC001320999214 1141025728 /nfs/dbraw/zinc/02/57/28/1141025728.db2.gz SPBWHYCPZHLHIU-SHCNBLLESA-N 1 3 315.461 2.160 20 0 DEADHO CCOC(=O)[C@H]1C[N@@H+]([C@H]2CCN[C@H](C)C2)C[C@H]2CCCC[C@@H]12 ZINC001246673945 1141032433 /nfs/dbraw/zinc/03/24/33/1141032433.db2.gz QYYYBEBIXQMNJU-UUAJXVIYSA-N 1 3 308.466 2.428 20 0 DEADHO CCOC(=O)[C@H]1C[N@H+]([C@H]2CCN[C@H](C)C2)C[C@H]2CCCC[C@@H]12 ZINC001246673945 1141032444 /nfs/dbraw/zinc/03/24/44/1141032444.db2.gz QYYYBEBIXQMNJU-UUAJXVIYSA-N 1 3 308.466 2.428 20 0 DEADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCOC(=O)N(C)C ZINC001321394809 1141226411 /nfs/dbraw/zinc/22/64/11/1141226411.db2.gz QMZIELQWXJVKOS-RDJZCZTQSA-N 1 3 319.449 2.185 20 0 DEADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCOC(=O)N(C)C ZINC001321394809 1141226427 /nfs/dbraw/zinc/22/64/27/1141226427.db2.gz QMZIELQWXJVKOS-RDJZCZTQSA-N 1 3 319.449 2.185 20 0 DEADHO CN(C)Cc1ccc(-c2noc(COC3CC[NH2+]CC3)n2)cc1 ZINC001248074524 1141687826 /nfs/dbraw/zinc/68/78/26/1141687826.db2.gz MADHKHOYOGISKZ-UHFFFAOYSA-N 1 3 316.405 2.067 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccnc2N(C)C)C[C@H](C)O1 ZINC001323376581 1141847623 /nfs/dbraw/zinc/84/76/23/1141847623.db2.gz IRBJJIALMXTFAM-IYBDPMFKSA-N 1 3 320.481 2.127 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](NC[C@@H](O)COCc2ccccc2)[C@H](C)C1 ZINC001252310263 1142682054 /nfs/dbraw/zinc/68/20/54/1142682054.db2.gz IOFGIEIHZWHRGF-BHIYHBOVSA-N 1 3 320.477 2.273 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](NC[C@@H](O)COCc2ccccc2)[C@H](C)C1 ZINC001252310263 1142682069 /nfs/dbraw/zinc/68/20/69/1142682069.db2.gz IOFGIEIHZWHRGF-BHIYHBOVSA-N 1 3 320.477 2.273 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CC1(C)C ZINC001278684444 1142822940 /nfs/dbraw/zinc/82/29/40/1142822940.db2.gz DALCSKCDECJAGX-CVEARBPZSA-N 1 3 309.498 2.365 20 0 DEADHO CC[NH+](CC)C[C@H](O)CNC[C@H](c1ccccc1)N1CCCC1 ZINC001253202935 1142853542 /nfs/dbraw/zinc/85/35/42/1142853542.db2.gz COHROQPVQBJTHQ-RTBURBONSA-N 1 3 319.493 2.116 20 0 DEADHO CCN(CC)C[C@H](O)C[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC001253207786 1142853887 /nfs/dbraw/zinc/85/38/87/1142853887.db2.gz JSKMHQBIOJRHKV-AEFFLSMTSA-N 1 3 306.450 2.439 20 0 DEADHO CC[NH+](CC)C[C@H](O)CNC1(Cc2ccc(OC)cc2)CCC1 ZINC001253214112 1142854846 /nfs/dbraw/zinc/85/48/46/1142854846.db2.gz NQLOVFRWNUQNHD-QGZVFWFLSA-N 1 3 320.477 2.453 20 0 DEADHO CCN(CC)C[C@H](O)C[NH2+][C@H]1CSc2cc(OC)ccc2C1 ZINC001253216158 1142855434 /nfs/dbraw/zinc/85/54/34/1142855434.db2.gz IWSBRGUJZODYBW-HUUCEWRRSA-N 1 3 324.490 2.004 20 0 DEADHO CC(C)CC1(C[NH2+]C[C@H](O)CNC(C)(C)C)CCOCC1 ZINC001253411087 1142870536 /nfs/dbraw/zinc/87/05/36/1142870536.db2.gz ADAONXGOBXESHF-HNNXBMFYSA-N 1 3 300.487 2.168 20 0 DEADHO COC1CC[NH+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001254030035 1143028731 /nfs/dbraw/zinc/02/87/31/1143028731.db2.gz UHPNWVGYKBAZBT-UHFFFAOYSA-N 1 3 318.461 2.124 20 0 DEADHO NCCC[NH2+]CCCCn1cc(-c2ccc(Cl)s2)nn1 ZINC001254162609 1143051264 /nfs/dbraw/zinc/05/12/64/1143051264.db2.gz FHJFIFHYAAAYJN-UHFFFAOYSA-N 1 3 313.858 2.379 20 0 DEADHO CN1CCC[C@@H]([NH2+]Cc2ccccc2N2CCOCC2)CC1 ZINC001254501524 1143143744 /nfs/dbraw/zinc/14/37/44/1143143744.db2.gz UTFKIMGFWICRRW-QGZVFWFLSA-N 1 3 303.450 2.097 20 0 DEADHO CCOC(=O)[C@@H](C[NH2+][C@H]1CCCN(C)CC1)c1ccccc1 ZINC001254508439 1143156078 /nfs/dbraw/zinc/15/60/78/1143156078.db2.gz JAANIDAFJSZXSI-IRXDYDNUSA-N 1 3 304.434 2.407 20 0 DEADHO CCOC(=O)[C@@H](CN[C@H]1CCC[N@H+](C)CC1)c1ccccc1 ZINC001254508439 1143156105 /nfs/dbraw/zinc/15/61/05/1143156105.db2.gz JAANIDAFJSZXSI-IRXDYDNUSA-N 1 3 304.434 2.407 20 0 DEADHO CCOC(=O)[C@@H](CN[C@H]1CCC[N@@H+](C)CC1)c1ccccc1 ZINC001254508439 1143156112 /nfs/dbraw/zinc/15/61/12/1143156112.db2.gz JAANIDAFJSZXSI-IRXDYDNUSA-N 1 3 304.434 2.407 20 0 DEADHO COc1cccnc1O[C@@H]1CCC[N@@H+]([C@@H]2CCCN(C)CC2)C1 ZINC001254532178 1143225187 /nfs/dbraw/zinc/22/51/87/1143225187.db2.gz QTHQVSMJGGWRKM-HZPDHXFCSA-N 1 3 319.449 2.418 20 0 DEADHO COc1cccnc1O[C@@H]1CCC[N@H+]([C@@H]2CCCN(C)CC2)C1 ZINC001254532178 1143225210 /nfs/dbraw/zinc/22/52/10/1143225210.db2.gz QTHQVSMJGGWRKM-HZPDHXFCSA-N 1 3 319.449 2.418 20 0 DEADHO Fc1cccnc1N(C1CC[NH2+]CC1)[C@@H]1CC2CCN(CC2)C1 ZINC001254867713 1143347764 /nfs/dbraw/zinc/34/77/64/1143347764.db2.gz LARWYLPEOCBVOE-MRXNPFEDSA-N 1 3 318.440 2.263 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001340961549 1143507743 /nfs/dbraw/zinc/50/77/43/1143507743.db2.gz VPKNYDXTERVOGQ-QWHCGFSZSA-N 1 3 323.403 2.237 20 0 DEADHO CN1CCN(Cc2ccccc2C[NH2+][C@H]2CCSC2)CC1 ZINC001255269860 1143532621 /nfs/dbraw/zinc/53/26/21/1143532621.db2.gz PQHTWJYBTASLSK-KRWDZBQOSA-N 1 3 305.491 2.029 20 0 DEADHO CC(C)CNC(=O)C[NH2+][C@H]1CCCN(Cc2ccccc2)CC1 ZINC001255390353 1143590103 /nfs/dbraw/zinc/59/01/03/1143590103.db2.gz BDIQOAUVNQTKMB-SFHVURJKSA-N 1 3 317.477 2.403 20 0 DEADHO N=c1ncc(CN)cn1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255392009 1143590349 /nfs/dbraw/zinc/59/03/49/1143590349.db2.gz XFUVRIKYLMYGQT-QGZVFWFLSA-N 1 3 311.433 2.048 20 0 DEADHO N=c1ncc(CN)cn1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255392009 1143590362 /nfs/dbraw/zinc/59/03/62/1143590362.db2.gz XFUVRIKYLMYGQT-QGZVFWFLSA-N 1 3 311.433 2.048 20 0 DEADHO Cc1ccnc(O[C@H]2CCN(C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)n1 ZINC001255682571 1143801798 /nfs/dbraw/zinc/80/17/98/1143801798.db2.gz MMSXVAXRAHXEHS-WFVVYAPDSA-N 1 3 316.449 2.253 20 0 DEADHO Cc1ccnc(O[C@H]2CCN(C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)n1 ZINC001255682571 1143801800 /nfs/dbraw/zinc/80/18/00/1143801800.db2.gz MMSXVAXRAHXEHS-WFVVYAPDSA-N 1 3 316.449 2.253 20 0 DEADHO CC[NH+](CC)CC[C@@H](C)N[C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC001255953623 1143816840 /nfs/dbraw/zinc/81/68/40/1143816840.db2.gz MCEBLVVICIILOR-NVXWUHKLSA-N 1 3 318.465 2.006 20 0 DEADHO CCOC(=O)N1CC[C@@H]([NH2+]C2CCN(CC3CCC3)CC2)C1 ZINC001256023868 1143822678 /nfs/dbraw/zinc/82/26/78/1143822678.db2.gz VMZUUCSADYSWAV-MRXNPFEDSA-N 1 3 309.454 2.071 20 0 DEADHO c1ccc(N(C2CC[NH2+]CC2)C2CCN(C3CC3)CC2)nc1 ZINC001256082091 1143828974 /nfs/dbraw/zinc/82/89/74/1143828974.db2.gz RKYYZUKHZXSARM-UHFFFAOYSA-N 1 3 300.450 2.267 20 0 DEADHO CN(C)Cc1ccc(CSCC[NH2+]C2CCN(C)CC2)o1 ZINC001256194983 1143834122 /nfs/dbraw/zinc/83/41/22/1143834122.db2.gz SKHYBIHSUJGNMY-UHFFFAOYSA-N 1 3 311.495 2.258 20 0 DEADHO C[C@H]1C[C@H](N2CCC(=O)N(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256552131 1143853760 /nfs/dbraw/zinc/85/37/60/1143853760.db2.gz ZEAPTGMORBGNJK-FUHWJXTLSA-N 1 3 315.461 2.204 20 0 DEADHO C[C@H]1C[C@H](N2CCC(=O)N(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256552131 1143853761 /nfs/dbraw/zinc/85/37/61/1143853761.db2.gz ZEAPTGMORBGNJK-FUHWJXTLSA-N 1 3 315.461 2.204 20 0 DEADHO CN(C)C(=O)[C@@H]1CC12CC[NH+](C1CCN(C(C)(C)C)CC1)CC2 ZINC001256570281 1143854712 /nfs/dbraw/zinc/85/47/12/1143854712.db2.gz DMEOOQJSNSQJMU-INIZCTEOSA-N 1 3 321.509 2.440 20 0 DEADHO COc1ccc2c(c1)c(CN)nn2C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256621317 1143857711 /nfs/dbraw/zinc/85/77/11/1143857711.db2.gz QCBGJSWGPJGXMS-FUNVUKJBSA-N 1 3 300.406 2.301 20 0 DEADHO COc1ccc2c(c1)c(CN)nn2C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256621317 1143857712 /nfs/dbraw/zinc/85/77/12/1143857712.db2.gz QCBGJSWGPJGXMS-FUNVUKJBSA-N 1 3 300.406 2.301 20 0 DEADHO c1nc2ccccn2c1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256677122 1143861365 /nfs/dbraw/zinc/86/13/65/1143861365.db2.gz KWVFQBLCNHOZBC-UHFFFAOYSA-N 1 3 314.433 2.067 20 0 DEADHO COc1ccc(C[NH2+]C2CCC(N3CCOCC3)CC2)cc1O ZINC001256681524 1143861776 /nfs/dbraw/zinc/86/17/76/1143861776.db2.gz URDNZZDEAIGVFI-UHFFFAOYSA-N 1 3 320.433 2.134 20 0 DEADHO COc1cccc(C[C@@H](CO)NC2CC[NH+](C(C)C)CC2)c1 ZINC001257208019 1143892914 /nfs/dbraw/zinc/89/29/14/1143892914.db2.gz CLVMMNTVRLAIOL-KRWDZBQOSA-N 1 3 306.450 2.061 20 0 DEADHO CN1CCN(Cc2cccc(C[NH2+][C@H]3CCCSC3)c2)CC1 ZINC001257660404 1143942401 /nfs/dbraw/zinc/94/24/01/1143942401.db2.gz ZIXNJYSQGTURMG-SFHVURJKSA-N 1 3 319.518 2.419 20 0 DEADHO CC(C)C[NH+]1CCC(N2CCCc3ccc(CN)nc32)CC1 ZINC001258007224 1143964261 /nfs/dbraw/zinc/96/42/61/1143964261.db2.gz RVDWPKWKZRGVLY-UHFFFAOYSA-N 1 3 302.466 2.413 20 0 DEADHO CCN(C(C)=O)C1CC[NH+](C2CCN(CC(C)C)CC2)CC1 ZINC001258018358 1143966560 /nfs/dbraw/zinc/96/65/60/1143966560.db2.gz LVSPXBPWTCCZFG-UHFFFAOYSA-N 1 3 309.498 2.440 20 0 DEADHO COC(=O)CC[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001258358785 1143995657 /nfs/dbraw/zinc/99/56/57/1143995657.db2.gz SCBZQBVPFMVXEG-HNNXBMFYSA-N 1 3 319.449 2.225 20 0 DEADHO CN(CCCCCC[NH3+])CC(=O)N[C@@H]1CCOc2ccccc21 ZINC001261890724 1144280166 /nfs/dbraw/zinc/28/01/66/1144280166.db2.gz MPXYWSHROJZKJA-MRXNPFEDSA-N 1 3 319.449 2.077 20 0 DEADHO C[C@@H]1CCC[NH2+][C@@H]1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000390782742 1144613111 /nfs/dbraw/zinc/61/31/11/1144613111.db2.gz SIHFZJVDISYSNX-NJAFHUGGSA-N 1 3 315.461 2.155 20 0 DEADHO CN(CC(=O)N1CCCC[C@@H]1C[NH2+]C/C=C/Cl)C1CCC1 ZINC001265674031 1144725880 /nfs/dbraw/zinc/72/58/80/1144725880.db2.gz QHTAJODDEGMMAH-FUVBFXSKSA-N 1 3 313.873 2.194 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001265895614 1144751836 /nfs/dbraw/zinc/75/18/36/1144751836.db2.gz ODGJEFNFNBLXGL-IRXDYDNUSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001265961873 1144770745 /nfs/dbraw/zinc/77/07/45/1144770745.db2.gz IZJBFEJJGSWFOJ-HNNXBMFYSA-N 1 3 314.433 2.460 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[N@H+](C)[C@@H](C)c1ccccc1 ZINC001265961873 1144770756 /nfs/dbraw/zinc/77/07/56/1144770756.db2.gz IZJBFEJJGSWFOJ-HNNXBMFYSA-N 1 3 314.433 2.460 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]CCC(C)(C)C)C1)N(C)C ZINC001266013214 1144786890 /nfs/dbraw/zinc/78/68/90/1144786890.db2.gz SSPITHGUJBSLPI-JKSUJKDBSA-N 1 3 311.514 2.447 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[C@@H]2CCC[N@@H+]2CC2CCC2)C1 ZINC001266234738 1144817270 /nfs/dbraw/zinc/81/72/70/1144817270.db2.gz JXHAWYBXAHYMHP-FUHWJXTLSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[C@@H]2CCC[N@H+]2CC2CCC2)C1 ZINC001266234738 1144817271 /nfs/dbraw/zinc/81/72/71/1144817271.db2.gz JXHAWYBXAHYMHP-FUHWJXTLSA-N 1 3 321.509 2.489 20 0 DEADHO CN(CC(=O)NC1(C[NH2+]CCF)CCCCC1)CC(C)(C)C ZINC001282625031 1145099427 /nfs/dbraw/zinc/09/94/27/1145099427.db2.gz PPPCPZFSIYVILD-UHFFFAOYSA-N 1 3 315.477 2.343 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC001364475263 1145280401 /nfs/dbraw/zinc/28/04/01/1145280401.db2.gz FOKGCDVBMIXVLB-SJORKVTESA-N 1 3 324.513 2.280 20 0 DEADHO CC[NH2+]C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@H]1C ZINC001364647159 1145399895 /nfs/dbraw/zinc/39/98/95/1145399895.db2.gz WZZBWEDGPNYMRG-QAPCUYQASA-N 1 3 317.477 2.456 20 0 DEADHO CC(C)N(C)CC(=O)N(C)[C@H](C[NH2+]CCC(F)(F)F)C1CC1 ZINC001283556970 1145517876 /nfs/dbraw/zinc/51/78/76/1145517876.db2.gz MKGHEFZYNXRGMH-CYBMUJFWSA-N 1 3 323.403 2.106 20 0 DEADHO CC(C)(C)OC(=O)N[C@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC001364926193 1145682086 /nfs/dbraw/zinc/68/20/86/1145682086.db2.gz UYUOMTZHUFVVSN-TUVASFSCSA-N 1 3 309.454 2.259 20 0 DEADHO CC(C)(C)OC(=O)N[C@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC001364926193 1145682090 /nfs/dbraw/zinc/68/20/90/1145682090.db2.gz UYUOMTZHUFVVSN-TUVASFSCSA-N 1 3 309.454 2.259 20 0 DEADHO Cc1cc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)ccc1-n1cncn1 ZINC001364929018 1145684806 /nfs/dbraw/zinc/68/48/06/1145684806.db2.gz DDVBBVHRKLPYAF-IXDOHACOSA-N 1 3 311.433 2.006 20 0 DEADHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001491856888 1146923217 /nfs/dbraw/zinc/92/32/17/1146923217.db2.gz PYSSBHFZIMDMSF-GOSISDBHSA-N 1 3 319.493 2.411 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1)N(C)C ZINC001365971777 1146961291 /nfs/dbraw/zinc/96/12/91/1146961291.db2.gz BSQGALVJXMGUIC-HZPDHXFCSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1)N(C)C ZINC001365971777 1146961310 /nfs/dbraw/zinc/96/13/10/1146961310.db2.gz BSQGALVJXMGUIC-HZPDHXFCSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cncs2)C1 ZINC001491894553 1146962339 /nfs/dbraw/zinc/96/23/39/1146962339.db2.gz ANSXVHFWARDZAS-KBPBESRZSA-N 1 3 324.494 2.000 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C)c(F)c2)C1)N(C)C ZINC001366128637 1147070007 /nfs/dbraw/zinc/07/00/07/1147070007.db2.gz XTAYZZYGHDKDHU-ZOBUZTSGSA-N 1 3 321.440 2.211 20 0 DEADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC001366176289 1147094387 /nfs/dbraw/zinc/09/43/87/1147094387.db2.gz FLHUFCJHEANKGS-ZDUSSCGKSA-N 1 3 323.403 2.109 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)c1ccccc1 ZINC001366286449 1147192946 /nfs/dbraw/zinc/19/29/46/1147192946.db2.gz LTRKCMJWRMOUPO-CABCVRRESA-N 1 3 303.450 2.326 20 0 DEADHO Cc1ccc(F)c(CN[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC001366345907 1147225908 /nfs/dbraw/zinc/22/59/08/1147225908.db2.gz KNRKINIZXMNDHB-YOEHRIQHSA-N 1 3 323.456 2.315 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001366413739 1147258523 /nfs/dbraw/zinc/25/85/23/1147258523.db2.gz XNOOFDJXIICZKX-QGZVFWFLSA-N 1 3 317.477 2.273 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]CCC(F)(F)F)N(C)C ZINC001366463505 1147295655 /nfs/dbraw/zinc/29/56/55/1147295655.db2.gz LPBIQUNFDPTRMG-RYUDHWBXSA-N 1 3 311.392 2.009 20 0 DEADHO CC(C)[C@H](C(=O)NCCCN(C)Cc1ccsc1)[NH+](C)C ZINC001316846501 1147371523 /nfs/dbraw/zinc/37/15/23/1147371523.db2.gz IDMZWWFYYANLLD-OAHLLOKOSA-N 1 3 311.495 2.272 20 0 DEADHO Cc1ccccc1CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001366759147 1147544769 /nfs/dbraw/zinc/54/47/69/1147544769.db2.gz HJAMOOSNIGDBIC-KRWDZBQOSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccccc1CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001366759147 1147544770 /nfs/dbraw/zinc/54/47/70/1147544770.db2.gz HJAMOOSNIGDBIC-KRWDZBQOSA-N 1 3 315.461 2.027 20 0 DEADHO CC(C)CCC[NH+]1CC(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001366965849 1147626416 /nfs/dbraw/zinc/62/64/16/1147626416.db2.gz YLSIOXDSJVKBKG-QGZVFWFLSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H](C[NH2+]CCC2CC2)C1)N(C)C ZINC001317162263 1147668383 /nfs/dbraw/zinc/66/83/83/1147668383.db2.gz MTWAOTPBBWUWSV-IAGOWNOFSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(C)c1)N(C)C ZINC001367379708 1147686184 /nfs/dbraw/zinc/68/61/84/1147686184.db2.gz IFMRJUKRRSVNBU-WBVHZDCISA-N 1 3 305.466 2.272 20 0 DEADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+]CC1CC2(CCC2)C1 ZINC001367399429 1147689235 /nfs/dbraw/zinc/68/92/35/1147689235.db2.gz KEWBOOWPSRWJSR-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CCCC1 ZINC001367416938 1147691370 /nfs/dbraw/zinc/69/13/70/1147691370.db2.gz SDDYEFNVWYDISB-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC2CCCC2)C[C@H]1C ZINC001368111878 1148238702 /nfs/dbraw/zinc/23/87/02/1148238702.db2.gz XRNTWDCMHXZGNX-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@]1(C)CCC[N@@H+](CC[C@H](C)F)C1 ZINC001368234442 1148348487 /nfs/dbraw/zinc/34/84/87/1148348487.db2.gz XVXMDGWSLIWKLT-SUMWQHHRSA-N 1 3 324.444 2.227 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@]1(C)CCC[N@H+](CC[C@H](C)F)C1 ZINC001368234442 1148348495 /nfs/dbraw/zinc/34/84/95/1148348495.db2.gz XVXMDGWSLIWKLT-SUMWQHHRSA-N 1 3 324.444 2.227 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)N[C@]1(C)CC[NH2+]C1)c1ccccc1 ZINC000612881460 361939662 /nfs/dbraw/zinc/93/96/62/361939662.db2.gz TYEVYANBFUIEQH-KBXCAEBGSA-N 1 3 318.465 2.167 20 0 DEADHO CC[C@H](C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C)[NH+](C)C ZINC000294601012 529609237 /nfs/dbraw/zinc/60/92/37/529609237.db2.gz XMQJQFWTSVBVEY-HZPDHXFCSA-N 1 3 323.506 2.468 20 0 DEADHO CC[C@H](N[C@H](C)C[C@@H](C)[NH3+])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000422882435 529665236 /nfs/dbraw/zinc/66/52/36/529665236.db2.gz AUBWWUMTZBRZCB-FPAYPSAMSA-N 1 3 319.493 2.381 20 0 DEADHO CN(C)[C@H](CNC(=O)N[C@H]1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000416817617 282243476 /nfs/dbraw/zinc/24/34/76/282243476.db2.gz YVQJYZFFFHBNCJ-YESZJQIVSA-N 1 3 318.465 2.106 20 0 DEADHO O=C(NCC12CCC[NH+]1CCC2)[C@H]1CCCN1C1CCCC1 ZINC000614226218 362322525 /nfs/dbraw/zinc/32/25/25/362322525.db2.gz NEBSMJLYPQVPKY-MRXNPFEDSA-N 1 3 305.466 2.138 20 0 DEADHO C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000195113155 282368160 /nfs/dbraw/zinc/36/81/60/282368160.db2.gz UAVGXQCOAGWQMJ-HNAYVOBHSA-N 1 3 318.461 2.158 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+](C)[C@H](CO)C(C)(C)C)cc1 ZINC000093821789 539432017 /nfs/dbraw/zinc/43/20/17/539432017.db2.gz YKUMJEYOFKWSLT-QGZVFWFLSA-N 1 3 308.466 2.466 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+](C)[C@H](CO)C(C)(C)C)cc1 ZINC000093821789 539432020 /nfs/dbraw/zinc/43/20/20/539432020.db2.gz YKUMJEYOFKWSLT-QGZVFWFLSA-N 1 3 308.466 2.466 20 0 DEADHO C[C@@H](C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C)[C@H](N)c1ccccc1 ZINC000422541988 295755997 /nfs/dbraw/zinc/75/59/97/295755997.db2.gz PDZRIHNRMVATGA-VUBIOHBQSA-N 1 3 303.450 2.154 20 0 DEADHO C[C@@H](CN(C)C)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000286895216 219214076 /nfs/dbraw/zinc/21/40/76/219214076.db2.gz GMTQMUFBFYMVLE-HNNXBMFYSA-N 1 3 303.450 2.352 20 0 DEADHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H](C)CN(C)C)cc1 ZINC000286953335 219241642 /nfs/dbraw/zinc/24/16/42/219241642.db2.gz KSCVXEXMJQVKAF-HNNXBMFYSA-N 1 3 321.465 2.087 20 0 DEADHO NC(=O)N[C@H]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000331305863 233019861 /nfs/dbraw/zinc/01/98/61/233019861.db2.gz AWBMABHPHMMXRU-KRWDZBQOSA-N 1 3 316.449 2.329 20 0 DEADHO C[C@H](O)C[C@@H]1CCCN1CC[C@H](C)[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000246748851 539766337 /nfs/dbraw/zinc/76/63/37/539766337.db2.gz PZSBUVMVELBCQC-ATIWLJMLSA-N 1 3 312.498 2.236 20 0 DEADHO C[C@H](O)C[C@@H]1CCCN1CC[C@H](C)[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000246748851 539766341 /nfs/dbraw/zinc/76/63/41/539766341.db2.gz PZSBUVMVELBCQC-ATIWLJMLSA-N 1 3 312.498 2.236 20 0 DEADHO C[C@H](O)C[C@@H]1CCCN1[C@@H](C)CC[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000246748851 539766344 /nfs/dbraw/zinc/76/63/44/539766344.db2.gz PZSBUVMVELBCQC-ATIWLJMLSA-N 1 3 312.498 2.236 20 0 DEADHO C[C@H](O)C[C@@H]1CCCN1[C@@H](C)CC[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000246748851 539766348 /nfs/dbraw/zinc/76/63/48/539766348.db2.gz PZSBUVMVELBCQC-ATIWLJMLSA-N 1 3 312.498 2.236 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)[C@H](N)Cc1ccccc1)CC(C)C ZINC000164406032 186158832 /nfs/dbraw/zinc/15/88/32/186158832.db2.gz CTWRPSSUZUXLOM-QZTJIDSGSA-N 1 3 319.493 2.429 20 0 DEADHO COC(C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C)OC ZINC000189961482 186255553 /nfs/dbraw/zinc/25/55/53/186255553.db2.gz SATNWJDXHJKHKJ-HUUCEWRRSA-N 1 3 306.450 2.352 20 0 DEADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1oc2ccccc2c1CN(C)C ZINC000262841911 186311517 /nfs/dbraw/zinc/31/15/17/186311517.db2.gz RKMBCJMMADJCTE-WFASDCNBSA-N 1 3 315.417 2.222 20 0 DEADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000262850291 186313273 /nfs/dbraw/zinc/31/32/73/186313273.db2.gz ZKWBRUVXJOSHGQ-JZXOWHBKSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000262850291 186313276 /nfs/dbraw/zinc/31/32/76/186313276.db2.gz ZKWBRUVXJOSHGQ-JZXOWHBKSA-N 1 3 315.461 2.107 20 0 DEADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)[C@@H](C)OC)cc2)CC1 ZINC000268760755 186382204 /nfs/dbraw/zinc/38/22/04/186382204.db2.gz GXXKJCRDGAEMPV-IAGOWNOFSA-N 1 3 319.493 2.337 20 0 DEADHO C[C@@H](NCCc1ccc(OCC[NH+](C)C)cc1)c1ncc[nH]1 ZINC000285947773 539825837 /nfs/dbraw/zinc/82/58/37/539825837.db2.gz FZXNXFGWCOETNF-CQSZACIVSA-N 1 3 302.422 2.243 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000617349455 363104813 /nfs/dbraw/zinc/10/48/13/363104813.db2.gz OYFKLDGWQUFDQY-MRXNPFEDSA-N 1 3 303.450 2.351 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000617349455 363104817 /nfs/dbraw/zinc/10/48/17/363104817.db2.gz OYFKLDGWQUFDQY-MRXNPFEDSA-N 1 3 303.450 2.351 20 0 DEADHO C[C@H]1CCC[C@@](CNC(=O)[C@H](N)Cc2ccccc2)([NH+](C)C)C1 ZINC000320656406 539896890 /nfs/dbraw/zinc/89/68/90/539896890.db2.gz PVABZRLGWMRYDV-KVSKMBFKSA-N 1 3 317.477 2.183 20 0 DEADHO CC(C)[NH+]1CCC(N(C)C(=O)c2cccc3c2CCNC3)CC1 ZINC000322756695 539903694 /nfs/dbraw/zinc/90/36/94/539903694.db2.gz BYMOTXDICINPHT-UHFFFAOYSA-N 1 3 315.461 2.277 20 0 DEADHO Cc1cc([C@H](C)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cs1 ZINC000333252213 539953304 /nfs/dbraw/zinc/95/33/04/539953304.db2.gz HAGQJOLFUABHGQ-MJEQTWJJSA-N 1 3 321.490 2.354 20 0 DEADHO C(CN1CCCN(C[C@H]2CCCO2)CC1)C[NH+]1CCCCC1 ZINC000682027119 542252787 /nfs/dbraw/zinc/25/27/87/542252787.db2.gz HFFLLQKRDCUQCX-GOSISDBHSA-N 1 3 309.498 2.049 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)[C@@H](N)c2ccccc2)C1 ZINC000236789615 202010282 /nfs/dbraw/zinc/01/02/82/202010282.db2.gz ZCBGHPAOAPUQGP-LZLYRXPVSA-N 1 3 317.477 2.417 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H](C)[C@@H](N)c2ccccc2)C1 ZINC000236789615 202010284 /nfs/dbraw/zinc/01/02/84/202010284.db2.gz ZCBGHPAOAPUQGP-LZLYRXPVSA-N 1 3 317.477 2.417 20 0 DEADHO CCCN(C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000417009044 283003978 /nfs/dbraw/zinc/00/39/78/283003978.db2.gz JTTMDDTYZBQVEF-HZPDHXFCSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H](CNC(=O)NC1CCN(C2CC2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000061655430 354631079 /nfs/dbraw/zinc/63/10/79/354631079.db2.gz QHLJTZDRDUCXGW-LSDHHAIUSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](CNC(=O)NC1CCN(C2CC2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000061655430 354631084 /nfs/dbraw/zinc/63/10/84/354631084.db2.gz QHLJTZDRDUCXGW-LSDHHAIUSA-N 1 3 322.497 2.033 20 0 DEADHO COc1nc(C)cc(C)c1CN(C)CCCN(C)CC[NH+](C)C ZINC000344075503 283042148 /nfs/dbraw/zinc/04/21/48/283042148.db2.gz VATMPLBUHBEWJY-UHFFFAOYSA-N 1 3 322.497 2.022 20 0 DEADHO C[C@H]1C[C@@H](C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC[NH2+]1 ZINC000262447482 291044418 /nfs/dbraw/zinc/04/44/18/291044418.db2.gz UIMQJMTUVQLREE-RYQLBKOJSA-N 1 3 315.461 2.328 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000074652871 355040968 /nfs/dbraw/zinc/04/09/68/355040968.db2.gz KOBKSAZVZWYNKP-DLBZAZTESA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)[NH+]1CCC(N(C)C(=O)[C@H](CN)c2ccc(F)cc2)CC1 ZINC000358859115 283074348 /nfs/dbraw/zinc/07/43/48/283074348.db2.gz BAXOBBPGDABECU-QGZVFWFLSA-N 1 3 321.440 2.199 20 0 DEADHO CC(C)[NH+](CCCNC(=O)NC[C@H]1CCCN(C)C1)C(C)C ZINC000074878867 191376609 /nfs/dbraw/zinc/37/66/09/191376609.db2.gz HAVGSQOKURJBLP-MRXNPFEDSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000079609809 355320952 /nfs/dbraw/zinc/32/09/52/355320952.db2.gz NWOZLVZTIDVKGZ-MRXNPFEDSA-N 1 3 324.513 2.092 20 0 DEADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000081475312 355431065 /nfs/dbraw/zinc/43/10/65/355431065.db2.gz LSKMCKRXXOXSPZ-SFHVURJKSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000085386973 355493616 /nfs/dbraw/zinc/49/36/16/355493616.db2.gz GKEZTTSPHKSQDR-HOTGVXAUSA-N 1 3 324.513 2.233 20 0 DEADHO O[C@H](CNC1CC[NH+](C2CCCCC2)CC1)C1CCOCC1 ZINC000090056410 355554337 /nfs/dbraw/zinc/55/43/37/355554337.db2.gz CTEHJDZOOGSOKC-GOSISDBHSA-N 1 3 310.482 2.161 20 0 DEADHO O[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)C1CCOCC1 ZINC000090056410 355554339 /nfs/dbraw/zinc/55/43/39/355554339.db2.gz CTEHJDZOOGSOKC-GOSISDBHSA-N 1 3 310.482 2.161 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)N(C)Cc1ccccc1 ZINC000417591722 540167596 /nfs/dbraw/zinc/16/75/96/540167596.db2.gz SLHMGVFILOAOCV-DJIMGWMZSA-N 1 3 318.465 2.076 20 0 DEADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccccc1N(C)C ZINC000093942312 355691394 /nfs/dbraw/zinc/69/13/94/355691394.db2.gz FBVQKXOSCKVHDZ-KRWDZBQOSA-N 1 3 318.509 2.431 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000452567996 540193788 /nfs/dbraw/zinc/19/37/88/540193788.db2.gz ATTUARMXFQAMRC-CVEARBPZSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000452567996 540193790 /nfs/dbraw/zinc/19/37/90/540193790.db2.gz ATTUARMXFQAMRC-CVEARBPZSA-N 1 3 307.482 2.194 20 0 DEADHO CSc1ccccc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000119719950 355788322 /nfs/dbraw/zinc/78/83/22/355788322.db2.gz QTYWGSRUVNPNNC-UHFFFAOYSA-N 1 3 324.494 2.366 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc2[nH]ccc21 ZINC000120037612 355788807 /nfs/dbraw/zinc/78/88/07/355788807.db2.gz DJYFPRDFKRQYTB-UHFFFAOYSA-N 1 3 317.437 2.125 20 0 DEADHO CC(C)[C@H](CNC1CCN(CC(F)F)CC1)[NH+]1CCCC1 ZINC000132990226 355854113 /nfs/dbraw/zinc/85/41/13/355854113.db2.gz OMPLMCWGRHYAMK-HNNXBMFYSA-N 1 3 303.441 2.426 20 0 DEADHO OC[C@@H]1CCC[N@@H+]1CCCCNCc1scnc1C1CC1 ZINC000487310977 540212108 /nfs/dbraw/zinc/21/21/08/540212108.db2.gz ZRXSIXQFPAMDQJ-AWEZNQCLSA-N 1 3 309.479 2.347 20 0 DEADHO OC[C@@H]1CCC[N@H+]1CCCCNCc1scnc1C1CC1 ZINC000487310977 540212112 /nfs/dbraw/zinc/21/21/12/540212112.db2.gz ZRXSIXQFPAMDQJ-AWEZNQCLSA-N 1 3 309.479 2.347 20 0 DEADHO COc1ccc(C[C@@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1 ZINC000128255404 355827664 /nfs/dbraw/zinc/82/76/64/355827664.db2.gz IVDRUUNNWMIUFD-QGZVFWFLSA-N 1 3 319.493 2.243 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)CCC[NH+](C)C ZINC000186753039 356212702 /nfs/dbraw/zinc/21/27/02/356212702.db2.gz NHDBOTHKRXSUQO-MRXNPFEDSA-N 1 3 320.481 2.100 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H](C)N(C)Cc1ccccc1)[C@H](C)[NH3+] ZINC000399387847 283152042 /nfs/dbraw/zinc/15/20/42/283152042.db2.gz REJCLVXLMCBYGN-VYDXJSESSA-N 1 3 305.466 2.243 20 0 DEADHO [NH3+][C@@H](CCC(=O)N1CC[C@H](N2CCCC2)C1)c1ccccc1 ZINC000237928961 356302221 /nfs/dbraw/zinc/30/22/21/356302221.db2.gz MKQSDDGRXIUPQX-IRXDYDNUSA-N 1 3 301.434 2.163 20 0 DEADHO CN(C)[C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000314784802 356419587 /nfs/dbraw/zinc/41/95/87/356419587.db2.gz BRLLLVIVWCUGCL-RDJZCZTQSA-N 1 3 303.450 2.185 20 0 DEADHO CC(C)[NH+](CCNC(=O)[C@H]1CNCc2ccccc21)C(C)C ZINC000316075476 356427828 /nfs/dbraw/zinc/42/78/28/356427828.db2.gz OXGQCVNUXHGKTO-KRWDZBQOSA-N 1 3 303.450 2.108 20 0 DEADHO CCc1cccc(OC[C@H](O)CN[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000317423557 356434266 /nfs/dbraw/zinc/43/42/66/356434266.db2.gz OKKUREYVYGKMKV-HYVNUMGLSA-N 1 3 306.450 2.061 20 0 DEADHO CCc1cccc(OC[C@H](O)CN[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000317423557 356434273 /nfs/dbraw/zinc/43/42/73/356434273.db2.gz OKKUREYVYGKMKV-HYVNUMGLSA-N 1 3 306.450 2.061 20 0 DEADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H](N)CCSC)c1 ZINC000236905787 202063305 /nfs/dbraw/zinc/06/33/05/202063305.db2.gz JGUKYRJNMDYCNX-INIZCTEOSA-N 1 3 323.506 2.225 20 0 DEADHO CN(C(=O)CC[NH2+]C1CC1)C1CCN(Cc2ccccc2)CC1 ZINC000381811497 356673297 /nfs/dbraw/zinc/67/32/97/356673297.db2.gz APBIOWICFPAKEZ-UHFFFAOYSA-N 1 3 315.461 2.252 20 0 DEADHO CCOC[C@H](O)C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000381981927 356673775 /nfs/dbraw/zinc/67/37/75/356673775.db2.gz MZURMVBQIPWZCS-RBUKOAKNSA-N 1 3 320.477 2.276 20 0 DEADHO CCOC[C@H](O)CNC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000381981927 356673777 /nfs/dbraw/zinc/67/37/77/356673777.db2.gz MZURMVBQIPWZCS-RBUKOAKNSA-N 1 3 320.477 2.276 20 0 DEADHO CCOC[C@H](O)CNC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000381981927 356673779 /nfs/dbraw/zinc/67/37/79/356673779.db2.gz MZURMVBQIPWZCS-RBUKOAKNSA-N 1 3 320.477 2.276 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)CC[NH2+]C1CC1)c1ccccc1 ZINC000386228432 356695326 /nfs/dbraw/zinc/69/53/26/356695326.db2.gz GPTQZAQXMSMTDI-KRWDZBQOSA-N 1 3 303.450 2.328 20 0 DEADHO CN(C)[C@@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000237138543 202163678 /nfs/dbraw/zinc/16/36/78/202163678.db2.gz GFLPTTFCOQRSSL-MSOLQXFVSA-N 1 3 311.429 2.496 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNCCC(N)=O)C1 ZINC000578064076 356755222 /nfs/dbraw/zinc/75/52/22/356755222.db2.gz REBCDHSAYVFNFG-GASCZTMLSA-N 1 3 303.450 2.130 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNCCC(N)=O)C1 ZINC000578064076 356755225 /nfs/dbraw/zinc/75/52/25/356755225.db2.gz REBCDHSAYVFNFG-GASCZTMLSA-N 1 3 303.450 2.130 20 0 DEADHO COc1cccc2c1CCC[C@H]2[NH2+]CC1(O)CCN(C)CC1 ZINC000578590430 356839059 /nfs/dbraw/zinc/83/90/59/356839059.db2.gz KNJQXKAXKKGGBA-MRXNPFEDSA-N 1 3 304.434 2.119 20 0 DEADHO C[NH+](C)CCOc1ccc(NC(=O)[C@]2(C)CCCCN2)cc1 ZINC000237198997 202187139 /nfs/dbraw/zinc/18/71/39/202187139.db2.gz HHJWBSQRAAFLEJ-KRWDZBQOSA-N 1 3 305.422 2.098 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CNCc2ccccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000579586295 356999233 /nfs/dbraw/zinc/99/92/33/356999233.db2.gz INIPFZPWRAWPPB-IIDMSEBBSA-N 1 3 315.461 2.110 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CNCc2ccccc21)[N@H+]1CCC[C@@H](C)C1 ZINC000579586295 356999236 /nfs/dbraw/zinc/99/92/36/356999236.db2.gz INIPFZPWRAWPPB-IIDMSEBBSA-N 1 3 315.461 2.110 20 0 DEADHO C[C@H](Cn1ccnc1)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000579580563 356996891 /nfs/dbraw/zinc/99/68/91/356996891.db2.gz AOMUSDHDXYXJBH-HFTRVMKXSA-N 1 3 312.417 2.117 20 0 DEADHO CC(C)N1CC[C@@H](C[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000580766360 357077549 /nfs/dbraw/zinc/07/75/49/357077549.db2.gz BIENOIUWXSPBTR-AWEZNQCLSA-N 1 3 308.495 2.432 20 0 DEADHO CC[NH+]1CCC(CNC(=O)NC[C@H](C)N2CCC(C)CC2)CC1 ZINC000581679430 357230348 /nfs/dbraw/zinc/23/03/48/357230348.db2.gz XPTFHXVRUSKQTR-INIZCTEOSA-N 1 3 324.513 2.138 20 0 DEADHO [NH3+][C@H]1CCC[C@H](NCc2ccc(CN3CCCC3=O)cc2)C1 ZINC000584729880 357299832 /nfs/dbraw/zinc/29/98/32/357299832.db2.gz HKLWLYLGRPMPIZ-IRXDYDNUSA-N 1 3 301.434 2.169 20 0 DEADHO NCc1cn([C@@H]2CCC[N@H+](Cc3ccc4c(c3)CCC4)C2)nn1 ZINC000581990995 357280232 /nfs/dbraw/zinc/28/02/32/357280232.db2.gz LKBHPXDJDXHYGS-GOSISDBHSA-N 1 3 311.433 2.063 20 0 DEADHO NCc1cn([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)CCC4)C2)nn1 ZINC000581990995 357280238 /nfs/dbraw/zinc/28/02/38/357280238.db2.gz LKBHPXDJDXHYGS-GOSISDBHSA-N 1 3 311.433 2.063 20 0 DEADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000661954273 540324257 /nfs/dbraw/zinc/32/42/57/540324257.db2.gz JDVYYTLSDYEBMG-IAGOWNOFSA-N 1 3 318.465 2.073 20 0 DEADHO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000661954273 540324261 /nfs/dbraw/zinc/32/42/61/540324261.db2.gz JDVYYTLSDYEBMG-IAGOWNOFSA-N 1 3 318.465 2.073 20 0 DEADHO CC(C)C[C@H](C[NH3+])CC(=O)N1CCc2ccccc2[C@H]1CN ZINC000662823748 540335004 /nfs/dbraw/zinc/33/50/04/540335004.db2.gz SRDOOIXZEWSHDG-WMLDXEAASA-N 1 3 303.450 2.082 20 0 DEADHO CC[C@@H]([NH2+]C)C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000662824330 540335432 /nfs/dbraw/zinc/33/54/32/540335432.db2.gz WKEBNOOVJQGLGH-QGZVFWFLSA-N 1 3 318.465 2.145 20 0 DEADHO CCCN1CC[C@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000666925322 540363837 /nfs/dbraw/zinc/36/38/37/540363837.db2.gz WFHNUFXKYUMBME-KRWDZBQOSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H](NC1CCN([C@@H](C)c2ccncc2)CC1)[C@H]1CCC[NH2+]1 ZINC000422971487 299272695 /nfs/dbraw/zinc/27/26/95/299272695.db2.gz YKUMRSHLQQWBPJ-RLFYNMQTSA-N 1 3 302.466 2.337 20 0 DEADHO CCN(CC[NH3+])C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000626985565 366391223 /nfs/dbraw/zinc/39/12/23/366391223.db2.gz XAEGSIPUOUXRCO-DZGCQCFKSA-N 1 3 324.494 2.121 20 0 DEADHO CCN(CC[NH3+])C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000627015093 366405288 /nfs/dbraw/zinc/40/52/88/366405288.db2.gz JLPGDFDZJAZYCX-KRWDZBQOSA-N 1 3 320.481 2.133 20 0 DEADHO CCC[NH+]1CCC(CNC(=O)Nc2cccc(CN)c2)CC1 ZINC000667729264 540515548 /nfs/dbraw/zinc/51/55/48/540515548.db2.gz AUZBVCJOZGBWKC-UHFFFAOYSA-N 1 3 304.438 2.389 20 0 DEADHO C[C@H]1CCC[C@@](CNC(=O)[C@@H](N)Cc2ccccc2)([NH+](C)C)C1 ZINC000237528947 202272241 /nfs/dbraw/zinc/27/22/41/202272241.db2.gz PVABZRLGWMRYDV-VDZJLULYSA-N 1 3 317.477 2.183 20 0 DEADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCCCCS(C)(=O)=O ZINC000423058996 296001827 /nfs/dbraw/zinc/00/18/27/296001827.db2.gz DRHARXDRGIYHQY-LSDHHAIUSA-N 1 3 304.500 2.102 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000237896812 202382639 /nfs/dbraw/zinc/38/26/39/202382639.db2.gz XQCVYUVMSFYUDK-FUHWJXTLSA-N 1 3 315.461 2.069 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000601346415 360013365 /nfs/dbraw/zinc/01/33/65/360013365.db2.gz KYVXQBQVBYVJRY-HZPDHXFCSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1cccc(OCCN(C)C)c1 ZINC000189294511 200377996 /nfs/dbraw/zinc/37/79/96/200377996.db2.gz VOIHRIACVLUIPJ-VYDXJSESSA-N 1 3 306.450 2.439 20 0 DEADHO [NH3+]C[C@H]1CCCN1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000668661150 540706200 /nfs/dbraw/zinc/70/62/00/540706200.db2.gz QLHIABDHXMKJTL-ZIAGYGMSSA-N 1 3 322.478 2.018 20 0 DEADHO COc1ncc(CNCC2(SC)CC[NH+](C)CC2)s1 ZINC000602667237 360485304 /nfs/dbraw/zinc/48/53/04/360485304.db2.gz OUMCJTHPRROEJY-UHFFFAOYSA-N 1 3 301.481 2.069 20 0 DEADHO CC(C)(C[NH+]1CCC(N2CC[C@H](O)C2)CC1)c1ccccc1 ZINC000668739051 540721798 /nfs/dbraw/zinc/72/17/98/540721798.db2.gz IRZPVYVWQXAOPJ-SFHVURJKSA-N 1 3 302.462 2.495 20 0 DEADHO Cc1ccc([C@H](CNC(=O)N2CCC(C)([NH3+])CC2)N(C)C)cc1 ZINC000669418902 540829589 /nfs/dbraw/zinc/82/95/89/540829589.db2.gz BOFVBQRXERIBQT-INIZCTEOSA-N 1 3 318.465 2.121 20 0 DEADHO CCCCN(C)CCNC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669477966 540840900 /nfs/dbraw/zinc/84/09/00/540840900.db2.gz LTUJIPOJEFLPLS-DLBZAZTESA-N 1 3 324.513 2.140 20 0 DEADHO O=C(NCC[NH2+]C1CCCCCC1)N[C@@H]1CCN(CC2CC2)C1 ZINC000669490857 540843767 /nfs/dbraw/zinc/84/37/67/540843767.db2.gz BKULTBZBPRKFLU-QGZVFWFLSA-N 1 3 322.497 2.082 20 0 DEADHO CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](N)c1ccccc1 ZINC000669512545 540849384 /nfs/dbraw/zinc/84/93/84/540849384.db2.gz ZNTMTMGPUKZKBU-OWCLPIDISA-N 1 3 301.434 2.066 20 0 DEADHO C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669483534 540841916 /nfs/dbraw/zinc/84/19/16/540841916.db2.gz AQLVAQBWFPTRGH-YQQAZPJKSA-N 1 3 318.465 2.249 20 0 DEADHO C[C@H]1CCC[N@H+](CCNC(=O)NCCN2CCCC(C)(C)C2)C1 ZINC000444846305 238333363 /nfs/dbraw/zinc/33/33/63/238333363.db2.gz IISYOCCRUNDEFK-INIZCTEOSA-N 1 3 324.513 2.140 20 0 DEADHO C[C@H]1CCC[N@@H+](CCNC(=O)NCCN2CCCC(C)(C)C2)C1 ZINC000444846305 238333373 /nfs/dbraw/zinc/33/33/73/238333373.db2.gz IISYOCCRUNDEFK-INIZCTEOSA-N 1 3 324.513 2.140 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1ccco1 ZINC000607638960 361100538 /nfs/dbraw/zinc/10/05/38/361100538.db2.gz HHLKVPLVLHEOFK-JKSUJKDBSA-N 1 3 321.465 2.258 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1ccco1 ZINC000607638960 361100544 /nfs/dbraw/zinc/10/05/44/361100544.db2.gz HHLKVPLVLHEOFK-JKSUJKDBSA-N 1 3 321.465 2.258 20 0 DEADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(C(=O)C3CCCC3)C2)[C@@H]2CCC[C@@H]21 ZINC000671750885 541007547 /nfs/dbraw/zinc/00/75/47/541007547.db2.gz NVYCBLABHHPFFA-OWSLCNJRSA-N 1 3 319.493 2.240 20 0 DEADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(C(=O)C3CCCC3)C2)[C@@H]2CCC[C@@H]21 ZINC000671750885 541007549 /nfs/dbraw/zinc/00/75/49/541007549.db2.gz NVYCBLABHHPFFA-OWSLCNJRSA-N 1 3 319.493 2.240 20 0 DEADHO CC[NH+](CC)CCSCC(=O)N1CCCC[C@@H]1CN(C)C ZINC000610258873 361375867 /nfs/dbraw/zinc/37/58/67/361375867.db2.gz FHMLMUVXFXQUFQ-OAHLLOKOSA-N 1 3 315.527 2.004 20 0 DEADHO [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000449326997 240369017 /nfs/dbraw/zinc/36/90/17/240369017.db2.gz AXKXBMAENZDQFO-YESZJQIVSA-N 1 3 307.482 2.371 20 0 DEADHO CN(C)C[C@H](NC(=O)CCCC[NH+](C)C)c1ccc(F)cc1 ZINC000673341093 541101342 /nfs/dbraw/zinc/10/13/42/541101342.db2.gz YMXYEKVBXPISJY-INIZCTEOSA-N 1 3 309.429 2.277 20 0 DEADHO COCCCOc1cccc(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)c1 ZINC000194538487 201246618 /nfs/dbraw/zinc/24/66/18/201246618.db2.gz XTEDCTVFUCQVDY-CALCHBBNSA-N 1 3 304.434 2.095 20 0 DEADHO COCCCOc1cccc(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)c1 ZINC000194538487 201246620 /nfs/dbraw/zinc/24/66/20/201246620.db2.gz XTEDCTVFUCQVDY-CALCHBBNSA-N 1 3 304.434 2.095 20 0 DEADHO CC[C@@H](CN1CCCC1)NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000675174425 541295808 /nfs/dbraw/zinc/29/58/08/541295808.db2.gz AYNUAURJPWUYIF-AWEZNQCLSA-N 1 3 324.513 2.469 20 0 DEADHO C[C@H](NC(=O)N(CCN(C)C)C1CCCC1)C1CC[NH+](C)CC1 ZINC000675190366 541299387 /nfs/dbraw/zinc/29/93/87/541299387.db2.gz KLBAGNFGSCFRCF-HNNXBMFYSA-N 1 3 324.513 2.233 20 0 DEADHO CCCN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000619900705 363898461 /nfs/dbraw/zinc/89/84/61/363898461.db2.gz YFKGGNAPFCXYHP-CVEARBPZSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000619900705 363898464 /nfs/dbraw/zinc/89/84/64/363898464.db2.gz YFKGGNAPFCXYHP-CVEARBPZSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H](NC(=O)N(C)CC(C)(C)C[NH3+])[C@H](c1ccccc1)N(C)C ZINC000418161626 296053548 /nfs/dbraw/zinc/05/35/48/296053548.db2.gz CCJPUBCRAHZGOB-GDBMZVCRSA-N 1 3 320.481 2.304 20 0 DEADHO CC[C@@H](C(=O)NCC1CC[NH+](CC2CC2)CC1)N(CC)CC ZINC000620931494 364205912 /nfs/dbraw/zinc/20/59/12/364205912.db2.gz FJZLMIAFRPRHPX-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO O=C(CC[C@H]1CCC[NH2+]C1)N1CCN(CC2CCCCC2)CC1 ZINC000621641299 364485473 /nfs/dbraw/zinc/48/54/73/364485473.db2.gz GKNHHQDAFJTYKH-QGZVFWFLSA-N 1 3 321.509 2.491 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000622092957 364660348 /nfs/dbraw/zinc/66/03/48/364660348.db2.gz PDHBGSCJSZGFOC-HOTGVXAUSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000622092957 364660351 /nfs/dbraw/zinc/66/03/51/364660351.db2.gz PDHBGSCJSZGFOC-HOTGVXAUSA-N 1 3 322.497 2.129 20 0 DEADHO CCC[NH2+][C@@H](C)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000449082311 240025865 /nfs/dbraw/zinc/02/58/65/240025865.db2.gz MIUVAYPKECGOGD-DOTOQJQBSA-N 1 3 303.450 2.328 20 0 DEADHO C[C@H](Cc1coc2ccccc12)NC[C@@H](O)C[NH+]1CCCC1 ZINC000449095287 240049057 /nfs/dbraw/zinc/04/90/57/240049057.db2.gz XNSVCWWGIZXNDD-GDBMZVCRSA-N 1 3 302.418 2.410 20 0 DEADHO C[C@H](Cc1coc2ccccc12)NC[C@H](O)C[NH+]1CCCC1 ZINC000449095290 240049861 /nfs/dbraw/zinc/04/98/61/240049861.db2.gz XNSVCWWGIZXNDD-ZBFHGGJFSA-N 1 3 302.418 2.410 20 0 DEADHO COc1cccc(OC)c1OCCCCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000675896067 541392860 /nfs/dbraw/zinc/39/28/60/541392860.db2.gz XZXCOFFNUASMHI-GJZGRUSLSA-N 1 3 320.433 2.014 20 0 DEADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]Cc2cccc3ccoc32)C1 ZINC000449133237 240096294 /nfs/dbraw/zinc/09/62/94/240096294.db2.gz CUGUJOVNMQKNQF-MRXNPFEDSA-N 1 3 315.417 2.110 20 0 DEADHO CCCN1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000624380693 365402977 /nfs/dbraw/zinc/40/29/77/365402977.db2.gz OYRHAPYVMCSHDB-RDJZCZTQSA-N 1 3 322.497 2.177 20 0 DEADHO CCCN1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000624380693 365402980 /nfs/dbraw/zinc/40/29/80/365402980.db2.gz OYRHAPYVMCSHDB-RDJZCZTQSA-N 1 3 322.497 2.177 20 0 DEADHO [NH3+]CCCOCCNCc1ccc(-c2ccncc2)cc1F ZINC000629401521 367191581 /nfs/dbraw/zinc/19/15/81/367191581.db2.gz RJSABCIPDBCEFN-UHFFFAOYSA-N 1 3 303.381 2.343 20 0 DEADHO C[C@]1(CNC[C@@H](O)C[NH+]2CCCC2)CCCc2ccccc21 ZINC000629577694 367258222 /nfs/dbraw/zinc/25/82/22/367258222.db2.gz ZHDCAYQCMFDYOD-IEBWSBKVSA-N 1 3 302.462 2.327 20 0 DEADHO O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@@H](N2CCCC2)C1 ZINC000372968132 296103389 /nfs/dbraw/zinc/10/33/89/296103389.db2.gz XVTGYAJWBXMLAL-QZTJIDSGSA-N 1 3 319.493 2.480 20 0 DEADHO O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CC[C@@H](N2CCCC2)C1 ZINC000372968132 296103390 /nfs/dbraw/zinc/10/33/90/296103390.db2.gz XVTGYAJWBXMLAL-QZTJIDSGSA-N 1 3 319.493 2.480 20 0 DEADHO C[NH+](C)CCOc1ccccc1CNCc1ccc(=O)[nH]c1 ZINC000631056959 367992111 /nfs/dbraw/zinc/99/21/11/367992111.db2.gz PLNCFUGZSYWWGF-UHFFFAOYSA-N 1 3 301.390 2.017 20 0 DEADHO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc(=O)[nH]c2)[C@@H](C)C1 ZINC000631074170 368003001 /nfs/dbraw/zinc/00/30/01/368003001.db2.gz SVVBGJGIHZDEMR-GOEBONIOSA-N 1 3 307.438 2.014 20 0 DEADHO CCOCCC[N@H+]1CC[C@@H](NCc2ccc(=O)[nH]c2)[C@@H](C)C1 ZINC000631074170 368003008 /nfs/dbraw/zinc/00/30/08/368003008.db2.gz SVVBGJGIHZDEMR-GOEBONIOSA-N 1 3 307.438 2.014 20 0 DEADHO COc1ccc2c(c1)CC[C@@H]2[NH2+]CCCCN1CCN(C)CC1 ZINC000631567200 368291479 /nfs/dbraw/zinc/29/14/79/368291479.db2.gz VIRXBIBTICHTJX-IBGZPJMESA-N 1 3 317.477 2.300 20 0 DEADHO C[C@@H](c1ccncc1)[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000677905104 541645568 /nfs/dbraw/zinc/64/55/68/541645568.db2.gz NFNPAUUQCFJETH-SOLBZPMBSA-N 1 3 302.466 2.100 20 0 DEADHO C[C@@H](c1ccncc1)[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000677905104 541645569 /nfs/dbraw/zinc/64/55/69/541645569.db2.gz NFNPAUUQCFJETH-SOLBZPMBSA-N 1 3 302.466 2.100 20 0 DEADHO CN(CC[N@H+](C)CCC1CCCC1)C(=O)CN(C)C1CCC1 ZINC001422169221 1172365950 /nfs/dbraw/zinc/36/59/50/1172365950.db2.gz PQFGGPBFHLHJIY-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CN(CC[N@@H+](C)CCC1CCCC1)C(=O)CN(C)C1CCC1 ZINC001422169221 1172365955 /nfs/dbraw/zinc/36/59/55/1172365955.db2.gz PQFGGPBFHLHJIY-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)OC1CC([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C1 ZINC000275155013 212155603 /nfs/dbraw/zinc/15/56/03/212155603.db2.gz UNUZUUUIMBPBEI-XBMUEBEBSA-N 1 3 318.461 2.299 20 0 DEADHO [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000261815176 203122650 /nfs/dbraw/zinc/12/26/50/203122650.db2.gz SFBYTGYGPCABBG-RBSFLKMASA-N 1 3 321.490 2.376 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262337811 203266227 /nfs/dbraw/zinc/26/62/27/203266227.db2.gz GLNXAYIDRRWGPK-UXLLHSPISA-N 1 3 303.450 2.011 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000262563085 203332242 /nfs/dbraw/zinc/33/22/42/203332242.db2.gz APRQXLGQPRAMDO-CGTJXYLNSA-N 1 3 315.461 2.237 20 0 DEADHO C[C@H](C(=O)N[C@@H](C[NH3+])C1CCCCC1)[C@H](N)c1ccccc1 ZINC000262600818 203345930 /nfs/dbraw/zinc/34/59/30/203345930.db2.gz PCOWWZHOPODVCR-JQFCIGGWSA-N 1 3 303.450 2.346 20 0 DEADHO C[NH2+]CCCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000262633318 203358152 /nfs/dbraw/zinc/35/81/52/203358152.db2.gz GFYSKSSMMWBWFQ-WBVHZDCISA-N 1 3 303.450 2.155 20 0 DEADHO N[C@H](Cc1ccccc1)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000262683440 203380216 /nfs/dbraw/zinc/38/02/16/203380216.db2.gz WWSNANJOEDIOSN-GOSISDBHSA-N 1 3 317.477 2.329 20 0 DEADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@]3(C)CCC(=O)N3)CC2)C1 ZINC000453406467 245123465 /nfs/dbraw/zinc/12/34/65/245123465.db2.gz QZSCTKCVHJSBTK-UWWQBHOKSA-N 1 3 307.482 2.288 20 0 DEADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@@]3(C)CCC(=O)N3)CC2)C1 ZINC000453406467 245123478 /nfs/dbraw/zinc/12/34/78/245123478.db2.gz QZSCTKCVHJSBTK-UWWQBHOKSA-N 1 3 307.482 2.288 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCC1 ZINC001422251903 1172440061 /nfs/dbraw/zinc/44/00/61/1172440061.db2.gz JVWGBOPWTFSYTH-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CO[C@H](Cc1ccc(F)cc1)CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000530218858 284376438 /nfs/dbraw/zinc/37/64/38/284376438.db2.gz NRONOVLRUCLKPY-XOYOTBSWSA-N 1 3 306.425 2.442 20 0 DEADHO C[C@H](NC(=O)N[C@@H]1CCCN(C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000679687120 541900425 /nfs/dbraw/zinc/90/04/25/541900425.db2.gz XGNIPORZYYPFKH-ARFHVFGLSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](NC(=O)N[C@@H]1CCCN(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000679687120 541900428 /nfs/dbraw/zinc/90/04/28/541900428.db2.gz XGNIPORZYYPFKH-ARFHVFGLSA-N 1 3 322.497 2.033 20 0 DEADHO CCN(CC)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000267495588 206104546 /nfs/dbraw/zinc/10/45/46/206104546.db2.gz XBNAKYVINWPKFD-WMZOPIPTSA-N 1 3 317.477 2.355 20 0 DEADHO CCN(CC)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000267495588 206104550 /nfs/dbraw/zinc/10/45/50/206104550.db2.gz XBNAKYVINWPKFD-WMZOPIPTSA-N 1 3 317.477 2.355 20 0 DEADHO CC[NH+](CC)CCCN1CCNC[C@@H]1c1ccccc1OC ZINC000420319604 284592815 /nfs/dbraw/zinc/59/28/15/284592815.db2.gz XXQAVHHCTNRUFK-QGZVFWFLSA-N 1 3 305.466 2.373 20 0 DEADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCCCCC[NH+]1CCCC1 ZINC000458838463 248516131 /nfs/dbraw/zinc/51/61/31/248516131.db2.gz CGTLHCDVTHPQMM-IAGOWNOFSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H](NC1(C(=O)Nc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000681744713 542199017 /nfs/dbraw/zinc/19/90/17/542199017.db2.gz CDGPALHJCLRCOR-CQSZACIVSA-N 1 3 301.434 2.478 20 0 DEADHO C[C@H](CNC(=O)NCc1cccc(CN(C)C)c1)[N@H+](C)C1CC1 ZINC000105141172 194077563 /nfs/dbraw/zinc/07/75/63/194077563.db2.gz JVMOOOLYSXDJSY-CQSZACIVSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@H](CNC(=O)NCc1cccc(CN(C)C)c1)[N@@H+](C)C1CC1 ZINC000105141172 194077564 /nfs/dbraw/zinc/07/75/64/194077564.db2.gz JVMOOOLYSXDJSY-CQSZACIVSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@H](CNC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)N(C)C1CC1 ZINC000105128443 194075458 /nfs/dbraw/zinc/07/54/58/194075458.db2.gz ISNXEBGOFOTBOC-BZUAXINKSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CCc2ccc(OCCN(C)C)cc2)CCN1C ZINC000268850170 207018650 /nfs/dbraw/zinc/01/86/50/207018650.db2.gz FTJXGHXPDHLQAU-WMZOPIPTSA-N 1 3 319.493 2.242 20 0 DEADHO CC[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc2c(c1)CCO2 ZINC000268879775 207049041 /nfs/dbraw/zinc/04/90/41/207049041.db2.gz XMJNMDRSAQEXLU-SJORKVTESA-N 1 3 304.434 2.119 20 0 DEADHO CC[C@@H](COC)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000269116007 207253764 /nfs/dbraw/zinc/25/37/64/207253764.db2.gz WNWCNLFQUSQEGX-KRWDZBQOSA-N 1 3 306.450 2.158 20 0 DEADHO CC[C@H](C)[N@H+](C)CCNC(=O)NCCN(C)Cc1ccccc1 ZINC000066187883 184396030 /nfs/dbraw/zinc/39/60/30/184396030.db2.gz CEONLVIQAVTCQG-INIZCTEOSA-N 1 3 320.481 2.148 20 0 DEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NCCN(C)Cc1ccccc1 ZINC000066187883 184396031 /nfs/dbraw/zinc/39/60/31/184396031.db2.gz CEONLVIQAVTCQG-INIZCTEOSA-N 1 3 320.481 2.148 20 0 DEADHO C[NH2+]CCCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000269252062 207391082 /nfs/dbraw/zinc/39/10/82/207391082.db2.gz HGAQFFWOSPCSSK-WBVHZDCISA-N 1 3 303.450 2.013 20 0 DEADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](N)C(C)C ZINC000269253152 207392258 /nfs/dbraw/zinc/39/22/58/207392258.db2.gz IEHZHGQRUMZHKP-ZWKOTPCHSA-N 1 3 317.477 2.340 20 0 DEADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](N)C(C)C ZINC000269253152 207392265 /nfs/dbraw/zinc/39/22/65/207392265.db2.gz IEHZHGQRUMZHKP-ZWKOTPCHSA-N 1 3 317.477 2.340 20 0 DEADHO C[C@@H]1CCCC[C@@H]1OCCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422710705 296345151 /nfs/dbraw/zinc/34/51/51/296345151.db2.gz MADSUQZTNIQONM-SFFUCWETSA-N 1 3 310.482 2.328 20 0 DEADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCc1cn2ccccc2n1 ZINC000422819986 532995006 /nfs/dbraw/zinc/99/50/06/532995006.db2.gz OREWYUHEMHPGQU-QAPCUYQASA-N 1 3 308.429 2.425 20 0 DEADHO C[NH+](C)CCCCC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000556939941 291852029 /nfs/dbraw/zinc/85/20/29/291852029.db2.gz LPVOWMDKYIYPMA-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CSc1nnc(CCCN[C@@H]2CCC[C@@H]2[NH3+])n1CC(C)C ZINC000422730519 533085961 /nfs/dbraw/zinc/08/59/61/533085961.db2.gz MCLYVDODALJRSB-QWHCGFSZSA-N 1 3 311.499 2.058 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000158130903 197246243 /nfs/dbraw/zinc/24/62/43/197246243.db2.gz MBKMYTWROYCHQL-MRXNPFEDSA-N 1 3 312.502 2.088 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CC=CCC1 ZINC000346616294 285247657 /nfs/dbraw/zinc/24/76/57/285247657.db2.gz FGFVLIXHVBJEAD-DLBZAZTESA-N 1 3 307.482 2.217 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CC=CCC1 ZINC000346616294 285247663 /nfs/dbraw/zinc/24/76/63/285247663.db2.gz FGFVLIXHVBJEAD-DLBZAZTESA-N 1 3 307.482 2.217 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000340936669 285258384 /nfs/dbraw/zinc/25/83/84/285258384.db2.gz KCHOGYKHWAPNBH-IAGOWNOFSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)C1 ZINC000120518201 195182079 /nfs/dbraw/zinc/18/20/79/195182079.db2.gz GSSDPWLNFVZNJD-IKGGRYGDSA-N 1 3 324.513 2.088 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)C1 ZINC000120518201 195182082 /nfs/dbraw/zinc/18/20/82/195182082.db2.gz GSSDPWLNFVZNJD-IKGGRYGDSA-N 1 3 324.513 2.088 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)CC(F)F ZINC000411820499 285280506 /nfs/dbraw/zinc/28/05/06/285280506.db2.gz HIMRTCCCCJPCFR-KGLIPLIRSA-N 1 3 319.440 2.152 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)CC(F)F ZINC000411820499 285280508 /nfs/dbraw/zinc/28/05/08/285280508.db2.gz HIMRTCCCCJPCFR-KGLIPLIRSA-N 1 3 319.440 2.152 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(C)cn1 ZINC000349061683 285281746 /nfs/dbraw/zinc/28/17/46/285281746.db2.gz JFRQDFIBHPFXOU-SFHVURJKSA-N 1 3 304.482 2.238 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(C)cn1 ZINC000349061683 285281749 /nfs/dbraw/zinc/28/17/49/285281749.db2.gz JFRQDFIBHPFXOU-SFHVURJKSA-N 1 3 304.482 2.238 20 0 DEADHO C[C@H](NCCOC[C@H]1CCCO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543458454 285289092 /nfs/dbraw/zinc/28/90/92/285289092.db2.gz DMRMGBCBWRQVQD-LZLYRXPVSA-N 1 3 310.482 2.425 20 0 DEADHO C[C@H](NCCOC[C@H]1CCCO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543458454 285289096 /nfs/dbraw/zinc/28/90/96/285289096.db2.gz DMRMGBCBWRQVQD-LZLYRXPVSA-N 1 3 310.482 2.425 20 0 DEADHO C[C@H]([NH2+]CCOC[C@H]1CCCO1)[C@@H]1CCCN(C2CCC2)C1 ZINC000543458454 285289103 /nfs/dbraw/zinc/28/91/03/285289103.db2.gz DMRMGBCBWRQVQD-LZLYRXPVSA-N 1 3 310.482 2.425 20 0 DEADHO C[C@@H](C(=O)N1CCc2ccccc21)N1CCC[C@@H](CC[NH3+])C1 ZINC000443056171 533219468 /nfs/dbraw/zinc/21/94/68/533219468.db2.gz CDEWFTDNOOXAPA-GJZGRUSLSA-N 1 3 301.434 2.025 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000684141501 542556989 /nfs/dbraw/zinc/55/69/89/542556989.db2.gz YOGVIGQERCMUEP-CVEARBPZSA-N 1 3 324.513 2.279 20 0 DEADHO COc1ccc2c(c1)[C@@H](NCCOCC[NH+](C)C)CCS2 ZINC000447591513 533289753 /nfs/dbraw/zinc/28/97/53/533289753.db2.gz IJORFWPRTWDPPU-HNNXBMFYSA-N 1 3 310.463 2.400 20 0 DEADHO CSCC[C@@H](N[C@H](C)CCC[NH3+])c1nnc2ccccn21 ZINC000422798996 533614470 /nfs/dbraw/zinc/61/44/70/533614470.db2.gz UPGUVPMMWJRVGB-CHWSQXEVSA-N 1 3 307.467 2.241 20 0 DEADHO O=C(NCCN1CCCCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175559683 132513891 /nfs/dbraw/zinc/51/38/91/132513891.db2.gz YYGZFUCHBWFWIG-UHFFFAOYSA-N 1 3 322.497 2.179 20 0 DEADHO CC[NH+]1CCC(CNC(=O)Nc2ccccc2CNC)CC1 ZINC000562770614 292009541 /nfs/dbraw/zinc/00/95/41/292009541.db2.gz DQKOHOAPGYGPKI-UHFFFAOYSA-N 1 3 304.438 2.259 20 0 DEADHO C[C@H](CNC(=O)NCC1([NH+](C)C)CCCCCC1)N(C)C1CC1 ZINC000356120692 133066966 /nfs/dbraw/zinc/06/69/66/133066966.db2.gz VSBUPXSQXZWZQP-OAHLLOKOSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@]2(C)CCCCN2)C1 ZINC000357803845 133101255 /nfs/dbraw/zinc/10/12/55/133101255.db2.gz WPECOAUYTLVROO-DAYGRLMNSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@]2(C)CCCCN2)C1 ZINC000357803845 133101256 /nfs/dbraw/zinc/10/12/56/133101256.db2.gz WPECOAUYTLVROO-DAYGRLMNSA-N 1 3 309.498 2.391 20 0 DEADHO COC1(CNC2CC[NH+](C[C@H]3CCOC3)CC2)CCCCC1 ZINC000359719516 133140997 /nfs/dbraw/zinc/14/09/97/133140997.db2.gz LMVBNJSTXYVLIR-MRXNPFEDSA-N 1 3 310.482 2.426 20 0 DEADHO NCc1cn([C@H]2CCC[N@H+](Cc3cccc(C4CC4)c3)C2)nn1 ZINC000562955366 292019315 /nfs/dbraw/zinc/01/93/15/292019315.db2.gz AOHLWKAJWRTZSM-SFHVURJKSA-N 1 3 311.433 2.451 20 0 DEADHO NCc1cn([C@H]2CCC[N@@H+](Cc3cccc(C4CC4)c3)C2)nn1 ZINC000562955366 292019316 /nfs/dbraw/zinc/01/93/16/292019316.db2.gz AOHLWKAJWRTZSM-SFHVURJKSA-N 1 3 311.433 2.451 20 0 DEADHO N[C@H](CC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000377345155 133326973 /nfs/dbraw/zinc/32/69/73/133326973.db2.gz KBGYFGDGJZAOJS-IAGOWNOFSA-N 1 3 301.434 2.067 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000377666277 133339790 /nfs/dbraw/zinc/33/97/90/133339790.db2.gz BJOWLXCTWHQTBQ-QGZVFWFLSA-N 1 3 313.461 2.188 20 0 DEADHO CC(C)N1CCCN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000563206098 292039191 /nfs/dbraw/zinc/03/91/91/292039191.db2.gz JOSLEQYCYBUVPR-KRWDZBQOSA-N 1 3 303.450 2.409 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000563621299 292066896 /nfs/dbraw/zinc/06/68/96/292066896.db2.gz XHSQHEDQEOYZRI-SFHVURJKSA-N 1 3 315.461 2.112 20 0 DEADHO CCN1CC[C@H](C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)C1 ZINC000246805660 145114933 /nfs/dbraw/zinc/11/49/33/145114933.db2.gz AHZLVAFIOOJAQO-LMMKCTJWSA-N 1 3 316.493 2.223 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000247475342 145138659 /nfs/dbraw/zinc/13/86/59/145138659.db2.gz IAQVCBAOQHDMHA-IAGOWNOFSA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000247475342 145138660 /nfs/dbraw/zinc/13/86/60/145138660.db2.gz IAQVCBAOQHDMHA-IAGOWNOFSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H]([NH3+])CC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000261715491 145220116 /nfs/dbraw/zinc/22/01/16/145220116.db2.gz DUSZCYOJRBYZPU-LPHOPBHVSA-N 1 3 315.461 2.238 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCC(=O)Nc3ccccc3F)C[C@H]21 ZINC000262124082 145264026 /nfs/dbraw/zinc/26/40/26/145264026.db2.gz KYPCTTRQZMYTNI-UMVBOHGHSA-N 1 3 305.397 2.214 20 0 DEADHO COc1ccccc1N1CCN(C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000262451185 145285213 /nfs/dbraw/zinc/28/52/13/145285213.db2.gz HVQZZZRNKUWQJP-CVEARBPZSA-N 1 3 303.450 2.205 20 0 DEADHO CN(CCNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+])Cc1ccccc1 ZINC000263017035 145318112 /nfs/dbraw/zinc/31/81/12/145318112.db2.gz QLEFCFHRJQQEAM-SJLPKXTDSA-N 1 3 303.450 2.142 20 0 DEADHO c1cn(CCN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000310009561 145352088 /nfs/dbraw/zinc/35/20/88/145352088.db2.gz JOJGSYVZYYHGLV-RBUKOAKNSA-N 1 3 310.445 2.337 20 0 DEADHO c1cn(CCN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000310009561 145352089 /nfs/dbraw/zinc/35/20/89/145352089.db2.gz JOJGSYVZYYHGLV-RBUKOAKNSA-N 1 3 310.445 2.337 20 0 DEADHO CC1CC[NH+](CCCNC(=O)c2ccc3c(c2)CNC3)CC1 ZINC000317007028 145364436 /nfs/dbraw/zinc/36/44/36/145364436.db2.gz AKBUYFHCMOJDSQ-UHFFFAOYSA-N 1 3 301.434 2.142 20 0 DEADHO [NH3+][C@@H]1CC[C@@H]2CN(CCCc3nc(-c4cccs4)no3)C[C@@H]12 ZINC000319483638 145372110 /nfs/dbraw/zinc/37/21/10/145372110.db2.gz UWDFTODBILKBCU-JHJVBQTASA-N 1 3 318.446 2.400 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000346100790 146016018 /nfs/dbraw/zinc/01/60/18/146016018.db2.gz DLIUBFUKPYCAQN-HOTGVXAUSA-N 1 3 317.477 2.280 20 0 DEADHO c1cncc(CN2CCC(N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)c1 ZINC000346106689 146016684 /nfs/dbraw/zinc/01/66/84/146016684.db2.gz SKTSXANJXAFMJD-RBUKOAKNSA-N 1 3 314.477 2.262 20 0 DEADHO c1cncc(CN2CCC(N[C@H]3CC[N@H+]4CCCC[C@H]34)CC2)c1 ZINC000346106689 146016686 /nfs/dbraw/zinc/01/66/86/146016686.db2.gz SKTSXANJXAFMJD-RBUKOAKNSA-N 1 3 314.477 2.262 20 0 DEADHO Cc1nc(COc2ccc(CN3CCC(C[NH3+])CC3)cc2)no1 ZINC000346691035 146125016 /nfs/dbraw/zinc/12/50/16/146125016.db2.gz VNPMHAUOPTUYNI-UHFFFAOYSA-N 1 3 316.405 2.128 20 0 DEADHO COc1ccc(-c2n[nH]cc2CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000346853663 146153724 /nfs/dbraw/zinc/15/37/24/146153724.db2.gz MBGNHLMVWOVARQ-JQFCIGGWSA-N 1 3 312.417 2.254 20 0 DEADHO c1ccc(CN2C[C@H]3C[NH+](CCOCC4CC4)C[C@@H]3C2)cc1 ZINC000348306871 146252516 /nfs/dbraw/zinc/25/25/16/146252516.db2.gz MTKLIKRTFBPSTR-RTBURBONSA-N 1 3 300.446 2.477 20 0 DEADHO C[C@H](N[C@H](CO)[C@H]1CCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348364810 146261574 /nfs/dbraw/zinc/26/15/74/146261574.db2.gz CSZFUHZZBFIJSX-GDAAHCPNSA-N 1 3 318.461 2.027 20 0 DEADHO C[C@H](N[C@H](CO)[C@H]1CCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348364810 146261575 /nfs/dbraw/zinc/26/15/75/146261575.db2.gz CSZFUHZZBFIJSX-GDAAHCPNSA-N 1 3 318.461 2.027 20 0 DEADHO Cn1nnc2cc(C[N@@H+]3CC[C@H](C4CCN(C)CC4)C3)ccc21 ZINC000349153442 146355003 /nfs/dbraw/zinc/35/50/03/146355003.db2.gz SFYSUUAJIBJRIL-INIZCTEOSA-N 1 3 313.449 2.132 20 0 DEADHO Cn1nnc2cc(C[N@H+]3CC[C@H](C4CCN(C)CC4)C3)ccc21 ZINC000349153442 146355006 /nfs/dbraw/zinc/35/50/06/146355006.db2.gz SFYSUUAJIBJRIL-INIZCTEOSA-N 1 3 313.449 2.132 20 0 DEADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCCN3CCCOCC3)CC2)C1 ZINC000349341407 146370951 /nfs/dbraw/zinc/37/09/51/146370951.db2.gz BNQKZKDZDMSFCF-HKUYNNGSSA-N 1 3 323.525 2.341 20 0 DEADHO CN(C)CC[NH+]1CCC(CNCc2ncc(Cl)s2)CC1 ZINC000349607896 146389677 /nfs/dbraw/zinc/38/96/77/146389677.db2.gz DTRMEEBVEJTRBB-UHFFFAOYSA-N 1 3 316.902 2.160 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)[C@@]12C[NH2+]C[C@@H]1CCCC2 ZINC000357241355 147071094 /nfs/dbraw/zinc/07/10/94/147071094.db2.gz KRTAAVVMDCOLMF-JZXOWHBKSA-N 1 3 307.482 2.147 20 0 DEADHO N[C@H](CC(=O)N(CCC[NH3+])CC1CCCC1)c1ccccc1 ZINC000357361268 147094170 /nfs/dbraw/zinc/09/41/70/147094170.db2.gz FLEZPSBHWJWATF-QGZVFWFLSA-N 1 3 303.450 2.444 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC000358557505 147156177 /nfs/dbraw/zinc/15/61/77/147156177.db2.gz UHFWJRUKFWVVNK-QGZVFWFLSA-N 1 3 305.466 2.310 20 0 DEADHO C[C@@H]1C[C@H](C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000358691936 147182963 /nfs/dbraw/zinc/18/29/63/147182963.db2.gz NWRISIGWHUDSFR-NXHRZFHOSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H](CN)c2ccc(F)cc2)cc1 ZINC000358744317 147194994 /nfs/dbraw/zinc/19/49/94/147194994.db2.gz NSFKNPCMWDKRAT-SJKOYZFVSA-N 1 3 315.392 2.204 20 0 DEADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000358761531 147199141 /nfs/dbraw/zinc/19/91/41/147199141.db2.gz WVUVIIRCPIYBGQ-CVEARBPZSA-N 1 3 324.513 2.090 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000359291042 147300221 /nfs/dbraw/zinc/30/02/21/147300221.db2.gz QJGBSNYPCFIQBK-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO CO[C@H](CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+])c1cccc(Cl)c1 ZINC000422919370 286013144 /nfs/dbraw/zinc/01/31/44/286013144.db2.gz JSHMPZNJKPRSBF-DANNLKNASA-N 1 3 312.841 2.369 20 0 DEADHO CCc1nc(CN(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cs1 ZINC000372371025 148199855 /nfs/dbraw/zinc/19/98/55/148199855.db2.gz SSHIDDZRLJASQR-INIZCTEOSA-N 1 3 322.522 2.306 20 0 DEADHO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000279777192 286023045 /nfs/dbraw/zinc/02/30/45/286023045.db2.gz SVUAKSHGUXPCEU-MJGOQNOKSA-N 1 3 319.493 2.380 20 0 DEADHO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2NCCCC[NH3+])cc1 ZINC000423335006 292185814 /nfs/dbraw/zinc/18/58/14/292185814.db2.gz TUZYLCDTTKSIGD-IAGOWNOFSA-N 1 3 324.490 2.408 20 0 DEADHO C[C@@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@@H](N)c1ccccc1 ZINC000565940731 292192244 /nfs/dbraw/zinc/19/22/44/292192244.db2.gz PSASWOMHXFMEAI-ZWQIFLOQSA-N 1 3 323.440 2.194 20 0 DEADHO CC(C)[NH2+]C1CCN(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000111838604 401725506 /nfs/dbraw/zinc/72/55/06/401725506.db2.gz GOFJSPVVPLBDQX-JKSUJKDBSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)NCCC[NH+]2CCC(C)CC2)CN1C1CC1 ZINC000127361392 401731218 /nfs/dbraw/zinc/73/12/18/401731218.db2.gz MDCRXKWHZLHESC-JKSUJKDBSA-N 1 3 322.497 2.033 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(OC)nc2)[C@H](C)C1 ZINC000126395906 401692715 /nfs/dbraw/zinc/69/27/15/401692715.db2.gz XLDZVXKAYBDWBC-NVXWUHKLSA-N 1 3 321.465 2.317 20 0 DEADHO CC(C)[C@H](CNC(=O)NC1CCN(C)CC1)[NH+]1CCCCCC1 ZINC000126443519 401694495 /nfs/dbraw/zinc/69/44/95/401694495.db2.gz YSZUQDNBNCOYFB-KRWDZBQOSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)C[NH+]1CCCCC1 ZINC000126766624 401707031 /nfs/dbraw/zinc/70/70/31/401707031.db2.gz BSCYFRHEZSXHOY-PMPSAXMXSA-N 1 3 322.497 2.033 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)C(C)C ZINC000126984206 401715699 /nfs/dbraw/zinc/71/56/99/401715699.db2.gz MCWULZIXIQRAPC-JKSUJKDBSA-N 1 3 324.513 2.420 20 0 DEADHO CC1CCN(CCNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000073659681 401719742 /nfs/dbraw/zinc/71/97/42/401719742.db2.gz KOENHAFOAFUVJK-QGZVFWFLSA-N 1 3 324.513 2.234 20 0 DEADHO CC1CCN(CCNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000073659681 401719745 /nfs/dbraw/zinc/71/97/45/401719745.db2.gz KOENHAFOAFUVJK-QGZVFWFLSA-N 1 3 324.513 2.234 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000073661196 401719879 /nfs/dbraw/zinc/71/98/79/401719879.db2.gz UYTNOQNJMBILOR-QGZVFWFLSA-N 1 3 324.513 2.425 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000073661196 401719881 /nfs/dbraw/zinc/71/98/81/401719881.db2.gz UYTNOQNJMBILOR-QGZVFWFLSA-N 1 3 324.513 2.425 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)NCCC[NH+](CC)CC ZINC000113577572 401782624 /nfs/dbraw/zinc/78/26/24/401782624.db2.gz OYHLTWBATPIMRO-MRXNPFEDSA-N 1 3 312.502 2.282 20 0 DEADHO CC[C@@]1(C(=O)NC2CCN(Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000128701873 401788622 /nfs/dbraw/zinc/78/86/22/401788622.db2.gz PWYKQSQXKFJERU-IBGZPJMESA-N 1 3 315.461 2.299 20 0 DEADHO CN(CCC(=O)N(C)c1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000135096804 401926860 /nfs/dbraw/zinc/92/68/60/401926860.db2.gz GMDBKVZWGPDUGA-INIZCTEOSA-N 1 3 303.450 2.313 20 0 DEADHO CN(CCC(=O)N(C)c1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000135096804 401926863 /nfs/dbraw/zinc/92/68/63/401926863.db2.gz GMDBKVZWGPDUGA-INIZCTEOSA-N 1 3 303.450 2.313 20 0 DEADHO C[C@@H](CNC(=O)N[C@@H](C)CN1CCCCC1)C[NH+]1CCCCC1 ZINC000079689620 401879729 /nfs/dbraw/zinc/87/97/29/401879729.db2.gz TXUHFUUFZQUKKY-IRXDYDNUSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC000137482436 401983604 /nfs/dbraw/zinc/98/36/04/401983604.db2.gz MNKNUHYNNUCZKL-MAUKXSAKSA-N 1 3 315.461 2.107 20 0 DEADHO COc1cc(NCCN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc(OC)c1 ZINC000090719744 401987113 /nfs/dbraw/zinc/98/71/13/401987113.db2.gz FEBUCYYYXAKRLL-HBUWYVDXSA-N 1 3 321.465 2.434 20 0 DEADHO COc1cc(NCCN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc(OC)c1 ZINC000090719744 401987114 /nfs/dbraw/zinc/98/71/14/401987114.db2.gz FEBUCYYYXAKRLL-HBUWYVDXSA-N 1 3 321.465 2.434 20 0 DEADHO CN(C)Cc1cccc(NC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000044277238 401941033 /nfs/dbraw/zinc/94/10/33/401941033.db2.gz UZDYHGHHSWCDDV-UHFFFAOYSA-N 1 3 316.449 2.497 20 0 DEADHO COc1cc(CN2CCC(C[NH3+])CC2)ccc1OC(F)F ZINC000044514146 401944695 /nfs/dbraw/zinc/94/46/95/401944695.db2.gz OCDXBTWZSHCTAQ-UHFFFAOYSA-N 1 3 300.349 2.467 20 0 DEADHO CN(C(=O)c1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCCN(C)C1 ZINC000151156056 402020076 /nfs/dbraw/zinc/02/00/76/402020076.db2.gz ZFIORIOVQKYYKO-GOSISDBHSA-N 1 3 315.461 2.449 20 0 DEADHO COCC[N@H+](C)CCCC1CCN(Cc2c[nH]nc2C)CC1 ZINC000093769495 402020320 /nfs/dbraw/zinc/02/03/20/402020320.db2.gz DZFKFRXQYOMSPY-UHFFFAOYSA-N 1 3 308.470 2.289 20 0 DEADHO COCC[N@@H+](C)CCCC1CCN(Cc2c[nH]nc2C)CC1 ZINC000093769495 402020322 /nfs/dbraw/zinc/02/03/22/402020322.db2.gz DZFKFRXQYOMSPY-UHFFFAOYSA-N 1 3 308.470 2.289 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@H]3C=CCC3)CC2)CC1 ZINC000050801363 402030151 /nfs/dbraw/zinc/03/01/51/402030151.db2.gz LSYXHAMEHSVNGM-HNNXBMFYSA-N 1 3 305.466 2.018 20 0 DEADHO CC(C)COC[C@H](O)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000151407841 402034461 /nfs/dbraw/zinc/03/44/61/402034461.db2.gz RQRUWNGGVOJGLL-GOSISDBHSA-N 1 3 312.498 2.407 20 0 DEADHO CCN(C)CCNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000123864914 402150860 /nfs/dbraw/zinc/15/08/60/402150860.db2.gz AUMHPSGJFQVYMW-UHFFFAOYSA-N 1 3 324.513 2.280 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCN1CCN(CCc2ccccc2)CC1 ZINC000124781306 402196646 /nfs/dbraw/zinc/19/66/46/402196646.db2.gz OEFXVXQQJIIDMH-LJQANCHMSA-N 1 3 301.478 2.331 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCN1CCN(CCc2ccccc2)CC1 ZINC000124781306 402196650 /nfs/dbraw/zinc/19/66/50/402196650.db2.gz OEFXVXQQJIIDMH-LJQANCHMSA-N 1 3 301.478 2.331 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccccc2OC)CC1 ZINC000154261445 402202056 /nfs/dbraw/zinc/20/20/56/402202056.db2.gz DMJGFICXGVSFGB-MRXNPFEDSA-N 1 3 305.466 2.373 20 0 DEADHO CCN(CCNC(=O)NCc1ccc(C[NH+](C)C)cc1)C1CC1 ZINC000101976377 402159553 /nfs/dbraw/zinc/15/95/53/402159553.db2.gz ZGZOJOJPKRDYLB-UHFFFAOYSA-N 1 3 318.465 2.032 20 0 DEADHO CC[N@H+](CCNC(=O)NC[C@H](c1ccccc1)N(C)C)C1CC1 ZINC000101974088 402159630 /nfs/dbraw/zinc/15/96/30/402159630.db2.gz DTAWORWIRWGQMO-QGZVFWFLSA-N 1 3 318.465 2.073 20 0 DEADHO CC[N@@H+](CCNC(=O)NC[C@H](c1ccccc1)N(C)C)C1CC1 ZINC000101974088 402159632 /nfs/dbraw/zinc/15/96/32/402159632.db2.gz DTAWORWIRWGQMO-QGZVFWFLSA-N 1 3 318.465 2.073 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)NCC[N@@H+](C)C(C)C)N(C)C)cc1 ZINC000102005154 402161411 /nfs/dbraw/zinc/16/14/11/402161411.db2.gz GQSCRFNCJRBXLP-QGZVFWFLSA-N 1 3 320.481 2.237 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)NCC[N@H+](C)C(C)C)N(C)C)cc1 ZINC000102005154 402161414 /nfs/dbraw/zinc/16/14/14/402161414.db2.gz GQSCRFNCJRBXLP-QGZVFWFLSA-N 1 3 320.481 2.237 20 0 DEADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000124224967 402170144 /nfs/dbraw/zinc/17/01/44/402170144.db2.gz BPCVTGQRTPDXOL-HOTGVXAUSA-N 1 3 313.449 2.393 20 0 DEADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000124224967 402170145 /nfs/dbraw/zinc/17/01/45/402170145.db2.gz BPCVTGQRTPDXOL-HOTGVXAUSA-N 1 3 313.449 2.393 20 0 DEADHO CCCCNC(=O)C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000125132613 402215098 /nfs/dbraw/zinc/21/50/98/402215098.db2.gz IJLCPNNNCHNHQP-UHFFFAOYSA-N 1 3 309.498 2.491 20 0 DEADHO [NH3+]CC[C@@H]1CCCN(CC(=O)NCc2ccc(Cl)cc2)C1 ZINC000070170474 402257927 /nfs/dbraw/zinc/25/79/27/402257927.db2.gz BNYUPGOAJMJMDC-AWEZNQCLSA-N 1 3 309.841 2.017 20 0 DEADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc2c(c1)OCO2 ZINC000154346478 402207792 /nfs/dbraw/zinc/20/77/92/402207792.db2.gz FEEYOLBSQMLONO-HNNXBMFYSA-N 1 3 319.449 2.094 20 0 DEADHO CCC[NH+]1CCC(N(C)CCC(=O)Nc2cc(C)on2)CC1 ZINC000109786261 402275920 /nfs/dbraw/zinc/27/59/20/402275920.db2.gz VYLUULFHSBUSFU-UHFFFAOYSA-N 1 3 308.426 2.118 20 0 DEADHO CN1CCC(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000176146769 402283717 /nfs/dbraw/zinc/28/37/17/402283717.db2.gz PTNFVSHIBQYGLD-UHFFFAOYSA-N 1 3 322.497 2.177 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)CCC3CCC3)CC2)CC1 ZINC000176289546 402297518 /nfs/dbraw/zinc/29/75/18/402297518.db2.gz FIRAEOLFJKMBKG-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000176559162 402319330 /nfs/dbraw/zinc/31/93/30/402319330.db2.gz SKMPCWICJAXYGY-NVXWUHKLSA-N 1 3 322.497 2.129 20 0 DEADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)C3(N)CCCC3)C2)CC1 ZINC000236628145 402369157 /nfs/dbraw/zinc/36/91/57/402369157.db2.gz HCTVJCAAALGDOV-MRXNPFEDSA-N 1 3 307.482 2.228 20 0 DEADHO CC1CCN([C@H](CNC(=O)[C@@H]2CC[NH2+]C2)c2cccs2)CC1 ZINC000236660665 402371973 /nfs/dbraw/zinc/37/19/73/402371973.db2.gz GHGBKIRNOMTNLQ-HUUCEWRRSA-N 1 3 321.490 2.247 20 0 DEADHO CC(C)[C@@H](C[NH3+])C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000236675681 402373412 /nfs/dbraw/zinc/37/34/12/402373412.db2.gz XARGGYGJWQAKLM-IAGOWNOFSA-N 1 3 303.450 2.171 20 0 DEADHO CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000236941651 402388754 /nfs/dbraw/zinc/38/87/54/402388754.db2.gz YTQHQVBSYIGDSZ-PVAVHDDUSA-N 1 3 303.450 2.313 20 0 DEADHO CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000236725175 402378062 /nfs/dbraw/zinc/37/80/62/402378062.db2.gz YJWAYEUBFNJMLG-UAGQMJEPSA-N 1 3 303.450 2.139 20 0 DEADHO CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)CC1CC[NH2+]CC1 ZINC000236723913 402378152 /nfs/dbraw/zinc/37/81/52/402378152.db2.gz FGRBUAHZHSAUNL-UHFFFAOYSA-N 1 3 314.433 2.133 20 0 DEADHO CC1CCC(N2CCN(C(=O)[C@]3(C)CCC[NH2+]C3)CC2)CC1 ZINC000236789047 402382525 /nfs/dbraw/zinc/38/25/25/402382525.db2.gz WSTWAVOIYNSNDJ-LEOMRAHMSA-N 1 3 307.482 2.099 20 0 DEADHO CCCC[C@H]([NH3+])C(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000236810008 402383733 /nfs/dbraw/zinc/38/37/33/402383733.db2.gz WRSORBQVISMKSX-ROUUACIJSA-N 1 3 317.477 2.457 20 0 DEADHO CC(C)(C)OC(=O)NC[C@H]([NH2+]CCCN1CCCC1)C1CC1 ZINC000185215767 402335653 /nfs/dbraw/zinc/33/56/53/402335653.db2.gz DCAPJYVNGDOMAY-HNNXBMFYSA-N 1 3 311.470 2.365 20 0 DEADHO CC(C)(C)OC(=O)NC[C@H](NCCC[NH+]1CCCC1)C1CC1 ZINC000185215767 402335655 /nfs/dbraw/zinc/33/56/55/402335655.db2.gz DCAPJYVNGDOMAY-HNNXBMFYSA-N 1 3 311.470 2.365 20 0 DEADHO C[C@H](C(=O)NCCC[NH+]1CCCCC1)[C@@H](N)c1ccccc1 ZINC000177461083 402404909 /nfs/dbraw/zinc/40/49/09/402404909.db2.gz LSDYVWMAQVMYQR-DOTOQJQBSA-N 1 3 303.450 2.315 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@H]3CCCC[C@@H]3C2)CC1 ZINC000177546134 402414905 /nfs/dbraw/zinc/41/49/05/402414905.db2.gz KFGLMBWILZSYBU-HZPDHXFCSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](CC(=O)NCc1cccc(CN(C)C)c1)[C@H]1CCC[NH2+]C1 ZINC000237665878 402417137 /nfs/dbraw/zinc/41/71/37/402417137.db2.gz JDRWCQKVGZFWJT-QAPCUYQASA-N 1 3 317.477 2.390 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000245201619 402452037 /nfs/dbraw/zinc/45/20/37/402452037.db2.gz KVJMSEARNKVUNX-JJTUDDRGSA-N 1 3 309.498 2.484 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000245201619 402452038 /nfs/dbraw/zinc/45/20/38/402452038.db2.gz KVJMSEARNKVUNX-JJTUDDRGSA-N 1 3 309.498 2.484 20 0 DEADHO CCO[C@H]1C[C@@](N)(C(=O)Nc2cccc(CN(C)C)c2)C1(C)C ZINC000186711226 402458459 /nfs/dbraw/zinc/45/84/59/402458459.db2.gz SOMTYCAMWGWOSL-MAUKXSAKSA-N 1 3 319.449 2.219 20 0 DEADHO CCO[C@H]1C[C@@](N)(C(=O)Nc2cccc(C[NH+](C)C)c2)C1(C)C ZINC000186711226 402458462 /nfs/dbraw/zinc/45/84/62/402458462.db2.gz SOMTYCAMWGWOSL-MAUKXSAKSA-N 1 3 319.449 2.219 20 0 DEADHO C[C@@H](CC(=O)N[C@H](CN(C)C)c1ccccc1)C1CC[NH2+]CC1 ZINC000163870484 402458888 /nfs/dbraw/zinc/45/88/88/402458888.db2.gz FVDJERPVMVTYHT-MAUKXSAKSA-N 1 3 317.477 2.431 20 0 DEADHO CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)cc1 ZINC000245615617 402474576 /nfs/dbraw/zinc/47/45/76/402474576.db2.gz XUMHFTDGHGKREU-JKIFEVAISA-N 1 3 324.490 2.299 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H](N)c1ccccc1 ZINC000167718658 402493832 /nfs/dbraw/zinc/49/38/32/402493832.db2.gz CENGYMQJXSAOPU-YXJHDRRASA-N 1 3 315.461 2.456 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@@H](N)c1ccccc1 ZINC000167718658 402493834 /nfs/dbraw/zinc/49/38/34/402493834.db2.gz CENGYMQJXSAOPU-YXJHDRRASA-N 1 3 315.461 2.456 20 0 DEADHO CC(C)([NH3+])C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000167843183 402494159 /nfs/dbraw/zinc/49/41/59/402494159.db2.gz RTKPSHGBIJXXBF-UHFFFAOYSA-N 1 3 323.868 2.406 20 0 DEADHO C[C@H](N)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000168571603 402497259 /nfs/dbraw/zinc/49/72/59/402497259.db2.gz CFIKWNHHHAGSIM-INIZCTEOSA-N 1 3 317.477 2.185 20 0 DEADHO CCC[C@@H](N)C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000169121680 402500885 /nfs/dbraw/zinc/50/08/85/402500885.db2.gz RTWXAFHWLNNHEB-YQQAZPJKSA-N 1 3 317.477 2.387 20 0 DEADHO C[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H](N)c1ccccc1 ZINC000246836384 402546878 /nfs/dbraw/zinc/54/68/78/402546878.db2.gz ZQSNDFDCYULBNN-AVAUJXNBSA-N 1 3 315.461 2.454 20 0 DEADHO C[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H](N)c1ccccc1 ZINC000246836384 402546880 /nfs/dbraw/zinc/54/68/80/402546880.db2.gz ZQSNDFDCYULBNN-AVAUJXNBSA-N 1 3 315.461 2.454 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000247071097 402555743 /nfs/dbraw/zinc/55/57/43/402555743.db2.gz WXRWGROBVBMEHX-UGUYLWEFSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000247071097 402555744 /nfs/dbraw/zinc/55/57/44/402555744.db2.gz WXRWGROBVBMEHX-UGUYLWEFSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@H](CNC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000246186783 402516892 /nfs/dbraw/zinc/51/68/92/402516892.db2.gz HXWVACKMOFTFKH-IXDOHACOSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246311595 402524975 /nfs/dbraw/zinc/52/49/75/402524975.db2.gz BWTZQXASAMLXHE-KLHDSHLOSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000246311595 402524978 /nfs/dbraw/zinc/52/49/78/402524978.db2.gz BWTZQXASAMLXHE-KLHDSHLOSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@H](CNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000246368123 402527505 /nfs/dbraw/zinc/52/75/05/402527505.db2.gz QORTUEGBHXJOEB-VQHPVUNQSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@H](CNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000246368123 402527507 /nfs/dbraw/zinc/52/75/07/402527507.db2.gz QORTUEGBHXJOEB-VQHPVUNQSA-N 1 3 324.513 2.088 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000178723100 402530946 /nfs/dbraw/zinc/53/09/46/402530946.db2.gz DPQUBVSULKBDLA-KRWDZBQOSA-N 1 3 317.477 2.309 20 0 DEADHO CC[NH+](CC)CCn1ccc2cc(NC(=O)CNC)ccc21 ZINC000178733014 402531898 /nfs/dbraw/zinc/53/18/98/402531898.db2.gz VXVWUYXHGWIEFA-UHFFFAOYSA-N 1 3 302.422 2.141 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000246512961 402534779 /nfs/dbraw/zinc/53/47/79/402534779.db2.gz UBRDBPLRRNIDOE-DLBZAZTESA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000246512961 402534780 /nfs/dbraw/zinc/53/47/80/402534780.db2.gz UBRDBPLRRNIDOE-DLBZAZTESA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N(C)CCN(C)C1CC1 ZINC000248586374 402597441 /nfs/dbraw/zinc/59/74/41/402597441.db2.gz VVSXHGCXBWWWKL-OAGGEKHMSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000251736162 402649472 /nfs/dbraw/zinc/64/94/72/402649472.db2.gz PQZAIAYRFYXJNN-ZACQAIPSSA-N 1 3 324.513 2.375 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000252651849 402660202 /nfs/dbraw/zinc/66/02/02/402660202.db2.gz WIKTUZSEYVFGDG-CABCVRRESA-N 1 3 312.502 2.136 20 0 DEADHO C[C@@H]([NH3+])[C@@H](C)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000192101284 402711135 /nfs/dbraw/zinc/71/11/35/402711135.db2.gz MAJCKSNTZJCXGD-INMHGKMJSA-N 1 3 303.450 2.141 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000173860630 402715723 /nfs/dbraw/zinc/71/57/23/402715723.db2.gz MFPYQUAHWVTNIL-DLBZAZTESA-N 1 3 324.513 2.234 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000173860630 402715724 /nfs/dbraw/zinc/71/57/24/402715724.db2.gz MFPYQUAHWVTNIL-DLBZAZTESA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)N(C)C1CC1 ZINC000172583210 402664459 /nfs/dbraw/zinc/66/44/59/402664459.db2.gz BSXVIROGYRVAQT-OAHLLOKOSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)N(C)C1CC1 ZINC000172583210 402664461 /nfs/dbraw/zinc/66/44/61/402664461.db2.gz BSXVIROGYRVAQT-OAHLLOKOSA-N 1 3 322.497 2.129 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)C1 ZINC000253545719 402668192 /nfs/dbraw/zinc/66/81/92/402668192.db2.gz BKXDQKRXAOHURS-NCOADZHNSA-N 1 3 309.498 2.438 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)C1 ZINC000253545719 402668194 /nfs/dbraw/zinc/66/81/94/402668194.db2.gz BKXDQKRXAOHURS-NCOADZHNSA-N 1 3 309.498 2.438 20 0 DEADHO C[C@@]1(C[NH3+])CCN(CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000261905750 402719384 /nfs/dbraw/zinc/71/93/84/402719384.db2.gz XAGGYSUYZNGSIT-HKUYNNGSSA-N 1 3 315.461 2.241 20 0 DEADHO C[C@@]1(CN)CC[N@H+](CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000261905750 402719386 /nfs/dbraw/zinc/71/93/86/402719386.db2.gz XAGGYSUYZNGSIT-HKUYNNGSSA-N 1 3 315.461 2.241 20 0 DEADHO C[C@@]1(CN)CC[N@@H+](CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000261905750 402719389 /nfs/dbraw/zinc/71/93/89/402719389.db2.gz XAGGYSUYZNGSIT-HKUYNNGSSA-N 1 3 315.461 2.241 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000174164348 402729538 /nfs/dbraw/zinc/72/95/38/402729538.db2.gz JCDRJOJDEMTFOC-OAHLLOKOSA-N 1 3 310.486 2.033 20 0 DEADHO CSCC[C@@H](N)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000262766464 402730655 /nfs/dbraw/zinc/73/06/55/402730655.db2.gz HLPMIFZALRNQRU-HZPDHXFCSA-N 1 3 317.458 2.036 20 0 DEADHO CCC[C@H](N)C(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000263018959 402741224 /nfs/dbraw/zinc/74/12/24/402741224.db2.gz ZSYYFZWRZPFMBO-LSDHHAIUSA-N 1 3 321.490 2.346 20 0 DEADHO CN(C(=O)[C@@H]1CCCN1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000264038921 402833058 /nfs/dbraw/zinc/83/30/58/402833058.db2.gz BKQLFMLJLSJCRG-SFHVURJKSA-N 1 3 315.461 2.204 20 0 DEADHO Cc1ccc([C@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])N(C)C)cc1 ZINC000261817500 292251835 /nfs/dbraw/zinc/25/18/35/292251835.db2.gz SHIMOGNZFGDMDZ-BBWFWOEESA-N 1 3 303.450 2.231 20 0 DEADHO CN(C)Cc1ccc(C(=O)NCC2(C)CC[NH+](C)CC2)cc1 ZINC000272499883 402945139 /nfs/dbraw/zinc/94/51/39/402945139.db2.gz GOGKTFBCIVYQLE-UHFFFAOYSA-N 1 3 303.450 2.210 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272250647 402914792 /nfs/dbraw/zinc/91/47/92/402914792.db2.gz IGUWIWPDNQTJNE-AEFFLSMTSA-N 1 3 317.477 2.353 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272250647 402914795 /nfs/dbraw/zinc/91/47/95/402914795.db2.gz IGUWIWPDNQTJNE-AEFFLSMTSA-N 1 3 317.477 2.353 20 0 DEADHO CN1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1=O ZINC000272281384 402918122 /nfs/dbraw/zinc/91/81/22/402918122.db2.gz AFTWSCOOMDMBJR-XLAORIBOSA-N 1 3 313.445 2.002 20 0 DEADHO CN1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1=O ZINC000272281369 402918387 /nfs/dbraw/zinc/91/83/87/402918387.db2.gz AFTWSCOOMDMBJR-FJIDUMEYSA-N 1 3 313.445 2.002 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000272314107 402922301 /nfs/dbraw/zinc/92/23/01/402922301.db2.gz SGHASCZIEBSLIM-KBAYOESNSA-N 1 3 317.477 2.353 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000272314107 402922303 /nfs/dbraw/zinc/92/23/03/402922303.db2.gz SGHASCZIEBSLIM-KBAYOESNSA-N 1 3 317.477 2.353 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)N(C)C)cc1 ZINC000237147971 292254308 /nfs/dbraw/zinc/25/43/08/292254308.db2.gz JKDRXNKYGOMZAT-BBWFWOEESA-N 1 3 303.450 2.231 20 0 DEADHO CC(C)[N@H+](C)CC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000282998131 403164594 /nfs/dbraw/zinc/16/45/94/403164594.db2.gz QWEGQFIDDJVJAF-HNNXBMFYSA-N 1 3 311.857 2.399 20 0 DEADHO CC(C)[N@@H+](C)CC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000282998131 403164596 /nfs/dbraw/zinc/16/45/96/403164596.db2.gz QWEGQFIDDJVJAF-HNNXBMFYSA-N 1 3 311.857 2.399 20 0 DEADHO COC[C@@H]([NH2+]Cc1ccnc(OCCN(C)C)c1)C1CCCC1 ZINC000275914804 403132563 /nfs/dbraw/zinc/13/25/63/403132563.db2.gz UZTMHNVAWLRPCX-QGZVFWFLSA-N 1 3 321.465 2.317 20 0 DEADHO CC[NH+]1CCC(N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)CC1 ZINC000282375611 403147825 /nfs/dbraw/zinc/14/78/25/403147825.db2.gz IQIFIEMNIIAKOX-QGZVFWFLSA-N 1 3 316.449 2.367 20 0 DEADHO CCN(C)C(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000276177979 403151524 /nfs/dbraw/zinc/15/15/24/403151524.db2.gz GIFPSVBKQHCOKL-HOTGVXAUSA-N 1 3 317.477 2.211 20 0 DEADHO COC(=O)c1ccc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)o1 ZINC000270483205 403194437 /nfs/dbraw/zinc/19/44/37/403194437.db2.gz OIOBOOLVUYPWIE-AWEZNQCLSA-N 1 3 306.406 2.230 20 0 DEADHO CO[C@H]1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000271187125 403275542 /nfs/dbraw/zinc/27/55/42/403275542.db2.gz NVCHJXSLTMDPGR-SFHVURJKSA-N 1 3 317.477 2.438 20 0 DEADHO COc1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(OC)c1 ZINC000339071087 403343279 /nfs/dbraw/zinc/34/32/79/403343279.db2.gz PTNPECWXRIPOLR-CVEARBPZSA-N 1 3 304.434 2.463 20 0 DEADHO COc1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(OC)c1 ZINC000339071087 403343285 /nfs/dbraw/zinc/34/32/85/403343285.db2.gz PTNPECWXRIPOLR-CVEARBPZSA-N 1 3 304.434 2.463 20 0 DEADHO CC[NH+]1CCC(N[C@H](C)[C@@H](Cc2ccccc2)C(=O)OC)CC1 ZINC000342845259 403369985 /nfs/dbraw/zinc/36/99/85/403369985.db2.gz XBEYZJFAJIIXMN-CRAIPNDOSA-N 1 3 318.461 2.481 20 0 DEADHO O=C([C@@H](C1CC1)N1CCCC1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000339204508 403373966 /nfs/dbraw/zinc/37/39/66/403373966.db2.gz HETWDPGBADYCBV-GOSISDBHSA-N 1 3 319.493 2.195 20 0 DEADHO O=C([C@@H](C1CC1)N1CCCC1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000339204508 403373971 /nfs/dbraw/zinc/37/39/71/403373971.db2.gz HETWDPGBADYCBV-GOSISDBHSA-N 1 3 319.493 2.195 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCCCC1 ZINC000342944497 403406184 /nfs/dbraw/zinc/40/61/84/403406184.db2.gz PVWZFGJJBFQPOB-RDJZCZTQSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCCCC1 ZINC000342944497 403406187 /nfs/dbraw/zinc/40/61/87/403406187.db2.gz PVWZFGJJBFQPOB-RDJZCZTQSA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)CC1CC[NH2+]CC1 ZINC000286138586 403457883 /nfs/dbraw/zinc/45/78/83/403457883.db2.gz PJEGVVHQQQNDCP-UHFFFAOYSA-N 1 3 321.440 2.106 20 0 DEADHO CC(C)[C@@H]1C[N@H+](CCCN2CCN(C(C)C)CC2)CCCO1 ZINC000339826193 403463022 /nfs/dbraw/zinc/46/30/22/403463022.db2.gz LZVXPPYDXAPIBF-SFHVURJKSA-N 1 3 311.514 2.149 20 0 DEADHO CC(C)[C@@H]1C[N@@H+](CCCN2CCN(C(C)C)CC2)CCCO1 ZINC000339826193 403463027 /nfs/dbraw/zinc/46/30/27/403463027.db2.gz LZVXPPYDXAPIBF-SFHVURJKSA-N 1 3 311.514 2.149 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000345898905 403524648 /nfs/dbraw/zinc/52/46/48/403524648.db2.gz GHNKFGBFBVTAAH-BRWVUGGUSA-N 1 3 307.482 2.336 20 0 DEADHO CN(C)CC1(C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)CCCC1 ZINC000293638174 403525977 /nfs/dbraw/zinc/52/59/77/403525977.db2.gz NQLKGXXLQWESSY-UHFFFAOYSA-N 1 3 317.433 2.229 20 0 DEADHO CC[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)N(C)C ZINC000299143050 403532781 /nfs/dbraw/zinc/53/27/81/403532781.db2.gz YINHWLUZXHDEHQ-INIZCTEOSA-N 1 3 309.429 2.056 20 0 DEADHO CN(C)Cc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000345876930 403518117 /nfs/dbraw/zinc/51/81/17/403518117.db2.gz BIGVPZPSZFROTA-IRXDYDNUSA-N 1 3 301.434 2.105 20 0 DEADHO CN(C)Cc1ccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000345876930 403518122 /nfs/dbraw/zinc/51/81/22/403518122.db2.gz BIGVPZPSZFROTA-IRXDYDNUSA-N 1 3 301.434 2.105 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000343431525 403587182 /nfs/dbraw/zinc/58/71/82/403587182.db2.gz GASYSUXPSQGPQI-MORSLUCNSA-N 1 3 311.429 2.344 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000343431528 403587560 /nfs/dbraw/zinc/58/75/60/403587560.db2.gz GASYSUXPSQGPQI-VHSSKADRSA-N 1 3 311.429 2.344 20 0 DEADHO C[C@@H](CN(C)C)NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000287239813 403557325 /nfs/dbraw/zinc/55/73/25/403557325.db2.gz AYJPVNPAFCQGHT-GJZGRUSLSA-N 1 3 320.481 2.365 20 0 DEADHO COCCN(C)CCC[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000340175282 403571645 /nfs/dbraw/zinc/57/16/45/403571645.db2.gz DKYFQQFGECHYPT-RBUKOAKNSA-N 1 3 319.493 2.380 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000340551840 403644172 /nfs/dbraw/zinc/64/41/72/403644172.db2.gz YEIWSDZNRODAJO-NUJGCVRESA-N 1 3 309.498 2.488 20 0 DEADHO Cc1cc(N2CCC([NH2+][C@H](C)[C@H]3CCCCN3)CC2)nc(C)n1 ZINC000333254916 403708116 /nfs/dbraw/zinc/70/81/16/403708116.db2.gz HRCHBHUATFRKKZ-RHSMWYFYSA-N 1 3 317.481 2.182 20 0 DEADHO Cc1cc(N2CCC(N[C@H](C)[C@H]3CCCC[NH2+]3)CC2)nc(C)n1 ZINC000333254916 403708119 /nfs/dbraw/zinc/70/81/19/403708119.db2.gz HRCHBHUATFRKKZ-RHSMWYFYSA-N 1 3 317.481 2.182 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000340903750 403692555 /nfs/dbraw/zinc/69/25/55/403692555.db2.gz SNKOFAKOBZSRLN-BPQIPLTHSA-N 1 3 317.477 2.383 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000340903750 403692556 /nfs/dbraw/zinc/69/25/56/403692556.db2.gz SNKOFAKOBZSRLN-BPQIPLTHSA-N 1 3 317.477 2.383 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CCN1C ZINC000340989844 403725010 /nfs/dbraw/zinc/72/50/10/403725010.db2.gz SNSMIVMRGWRAKE-BBWFWOEESA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CCN1C ZINC000340989844 403725016 /nfs/dbraw/zinc/72/50/16/403725016.db2.gz SNSMIVMRGWRAKE-BBWFWOEESA-N 1 3 324.513 2.423 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000347493322 403729707 /nfs/dbraw/zinc/72/97/07/403729707.db2.gz MAMQOEKPFKMDGX-HOTGVXAUSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000333367254 403735814 /nfs/dbraw/zinc/73/58/14/403735814.db2.gz UMFKBLTUTWNQCQ-UHFFFAOYSA-N 1 3 316.449 2.327 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCN1CCC(C)CC1 ZINC000302990149 403744927 /nfs/dbraw/zinc/74/49/27/403744927.db2.gz LDPONCYRNSOHNS-IRXDYDNUSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCN1CCC(C)CC1 ZINC000302990149 403744931 /nfs/dbraw/zinc/74/49/31/403744931.db2.gz LDPONCYRNSOHNS-IRXDYDNUSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](CNC(=O)NCCN1CCC(C)CC1)[NH+]1CCC(C)CC1 ZINC000303082865 403746637 /nfs/dbraw/zinc/74/66/37/403746637.db2.gz WHILDMSEXFCOIG-QGZVFWFLSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CCN1C ZINC000341183513 403811373 /nfs/dbraw/zinc/81/13/73/403811373.db2.gz AGVYFJXQCVXZQL-IKGGRYGDSA-N 1 3 322.497 2.129 20 0 DEADHO Cc1ccccc1OC[C@H](O)CN1CCC(C[NH+](C)C)CC1 ZINC000341194036 403819285 /nfs/dbraw/zinc/81/92/85/403819285.db2.gz RJCWVHZHALWLBJ-QGZVFWFLSA-N 1 3 306.450 2.008 20 0 DEADHO CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000341195758 403820263 /nfs/dbraw/zinc/82/02/63/403820263.db2.gz IETRWDUDOJTMJA-NVXWUHKLSA-N 1 3 324.513 2.233 20 0 DEADHO CCN1CC[C@H]([N@H+](C)Cc2ccc3c(c2)oc(=O)n3C)C[C@H]1C ZINC000351643456 403824026 /nfs/dbraw/zinc/82/40/26/403824026.db2.gz DIJCOMARKWJDGD-HIFRSBDPSA-N 1 3 317.433 2.436 20 0 DEADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)oc(=O)n3C)C[C@H]1C ZINC000351643456 403824030 /nfs/dbraw/zinc/82/40/30/403824030.db2.gz DIJCOMARKWJDGD-HIFRSBDPSA-N 1 3 317.433 2.436 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(OCCN(C)C)cc2)[C@@H](C)O1 ZINC000295169946 403783092 /nfs/dbraw/zinc/78/30/92/403783092.db2.gz LGTONZCIHBMSEH-IIDMSEBBSA-N 1 3 306.450 2.325 20 0 DEADHO C[C@H](CNC(=O)N(C)CCC[NH+]1CCCC1)N1CCCC[C@@H]1C ZINC000347640427 403787428 /nfs/dbraw/zinc/78/74/28/403787428.db2.gz XWEDNMGCTZGEPV-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO CCOC[C@H]1CCC[C@H]1[NH2+]Cc1ccncc1OCCN(C)C ZINC000343930684 403797029 /nfs/dbraw/zinc/79/70/29/403797029.db2.gz MEDMMSMNKHRAFA-IAGOWNOFSA-N 1 3 321.465 2.317 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CCN1C ZINC000341210934 403835124 /nfs/dbraw/zinc/83/51/24/403835124.db2.gz WMCVOHCBMBYWJL-ZACQAIPSSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H](NCc1ccncc1OCCC[NH+](C)C)[C@H]1CCCOC1 ZINC000344011548 403844937 /nfs/dbraw/zinc/84/49/37/403844937.db2.gz DSSNPDRRRJQAST-WBVHZDCISA-N 1 3 321.465 2.317 20 0 DEADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC3(O)CCOCC3)CC2)C1 ZINC000305171081 403860554 /nfs/dbraw/zinc/86/05/54/403860554.db2.gz ZTESFDDXIJPPNI-WBVHZDCISA-N 1 3 310.482 2.161 20 0 DEADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CC3(O)CCOCC3)CC2)C1 ZINC000305171081 403860563 /nfs/dbraw/zinc/86/05/63/403860563.db2.gz ZTESFDDXIJPPNI-WBVHZDCISA-N 1 3 310.482 2.161 20 0 DEADHO CC[C@@H](NCC(=O)NC1CC[NH+](CC)CC1)c1ccccc1 ZINC000411451295 403861576 /nfs/dbraw/zinc/86/15/76/403861576.db2.gz FVJXAERGFXTUGE-QGZVFWFLSA-N 1 3 303.450 2.328 20 0 DEADHO Cc1cc(N2CCC(N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)n[nH]1 ZINC000333809955 403869687 /nfs/dbraw/zinc/86/96/87/403869687.db2.gz JCFQEGHPBYPFRH-IXDOHACOSA-N 1 3 317.481 2.197 20 0 DEADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000341283665 403883863 /nfs/dbraw/zinc/88/38/63/403883863.db2.gz CCBVQKPVBISJMZ-BBRMVZONSA-N 1 3 322.497 2.031 20 0 DEADHO CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000351769213 403907214 /nfs/dbraw/zinc/90/72/14/403907214.db2.gz KDMIZJRZDHLIOX-QGZVFWFLSA-N 1 3 324.513 2.378 20 0 DEADHO COC(=O)c1cc(CN2CCC(CCC[NH+](C)C)CC2)cn1C ZINC000347875713 403924299 /nfs/dbraw/zinc/92/42/99/403924299.db2.gz XDJIEWLZJDNZRW-UHFFFAOYSA-N 1 3 321.465 2.366 20 0 DEADHO CCN1C[C@H]([NH2+]CCc2ccc(OCCN(C)C)cc2)[C@@H](C)C1 ZINC000344143471 403936843 /nfs/dbraw/zinc/93/68/43/403936843.db2.gz ANRRSJQBKDZZSG-LPHOPBHVSA-N 1 3 319.493 2.099 20 0 DEADHO [NH3+]CCCOC1CCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC000336867380 403941615 /nfs/dbraw/zinc/94/16/15/403941615.db2.gz MQKFCIDPLNAFRE-UHFFFAOYSA-N 1 3 314.433 2.202 20 0 DEADHO CC(C)C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)N1CCOCC1 ZINC000336868156 403942466 /nfs/dbraw/zinc/94/24/66/403942466.db2.gz RLPIUCMZHSCTJK-AKHDSKFASA-N 1 3 323.525 2.244 20 0 DEADHO C[C@H](C[NH+](C)C)NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000351825925 403943988 /nfs/dbraw/zinc/94/39/88/403943988.db2.gz CASDKNINGNCSAD-HLLBOEOZSA-N 1 3 318.465 2.071 20 0 DEADHO CCN(Cc1ccc(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1)C1CC1 ZINC000351827930 403945530 /nfs/dbraw/zinc/94/55/30/403945530.db2.gz SOIWSDUWBXUBAZ-YOEHRIQHSA-N 1 3 315.461 2.480 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCC[C@@H](C)C1 ZINC000337389729 403992392 /nfs/dbraw/zinc/99/23/92/403992392.db2.gz YZCXQVONTUATIG-QBPKDAKJSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCC[C@@H](C)C1 ZINC000337389729 403992397 /nfs/dbraw/zinc/99/23/97/403992397.db2.gz YZCXQVONTUATIG-QBPKDAKJSA-N 1 3 322.497 2.033 20 0 DEADHO CCN1CCC(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[C@H](C)C2)CC1 ZINC000411860627 403995998 /nfs/dbraw/zinc/99/59/98/403995998.db2.gz DYDYLAFXVZBSJR-JYJNAYRXSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000347954247 403975807 /nfs/dbraw/zinc/97/58/07/403975807.db2.gz NWHUDZPAQINDDM-QGZVFWFLSA-N 1 3 303.450 2.351 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000347954247 403975810 /nfs/dbraw/zinc/97/58/10/403975810.db2.gz NWHUDZPAQINDDM-QGZVFWFLSA-N 1 3 303.450 2.351 20 0 DEADHO C[NH+](C)CCCOc1cnccc1CNC[C@@H]1CCC=CO1 ZINC000290131541 404054022 /nfs/dbraw/zinc/05/40/22/404054022.db2.gz JSIPSBNTMDNCEN-INIZCTEOSA-N 1 3 305.422 2.194 20 0 DEADHO C[C@@H](c1ccccc1)N(C)C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000324510365 404100758 /nfs/dbraw/zinc/10/07/58/404100758.db2.gz UDCSDBKSEXJHJN-RYQLBKOJSA-N 1 3 315.461 2.137 20 0 DEADHO COc1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c(OC)c1OC ZINC000324488253 404100901 /nfs/dbraw/zinc/10/09/01/404100901.db2.gz PRXFEBHZAHFUJU-OKILXGFUSA-N 1 3 320.433 2.144 20 0 DEADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCN(C)Cc1ccccc1 ZINC000290154197 404062296 /nfs/dbraw/zinc/06/22/96/404062296.db2.gz LLSDNVQQHDVQPY-ROUUACIJSA-N 1 3 317.477 2.259 20 0 DEADHO CCN1CCN(CCCC[NH2+][C@H]2CCC[C@@H]2CCOC)CC1 ZINC000337518822 404073150 /nfs/dbraw/zinc/07/31/50/404073150.db2.gz NTUMLUTYARYZLY-MSOLQXFVSA-N 1 3 311.514 2.199 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+]CCCCN2CCN(CCO)CC2)c1 ZINC000341943442 404270863 /nfs/dbraw/zinc/27/08/63/404270863.db2.gz AKZAWNSRIIIKJK-GOSISDBHSA-N 1 3 319.493 2.036 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N1CCN(C)CC[C@@H]1C ZINC000355398577 404330604 /nfs/dbraw/zinc/33/06/04/404330604.db2.gz BLJFPKVGHAFRMQ-INIZCTEOSA-N 1 3 312.502 2.234 20 0 DEADHO C[C@@H]1CCN(C)CCN1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000350050883 404306386 /nfs/dbraw/zinc/30/63/86/404306386.db2.gz SCSUMSHPDCLVKE-QGZVFWFLSA-N 1 3 324.513 2.378 20 0 DEADHO CCN1CCN(CCCC[NH2+]C2CCC3(CCCO3)CC2)CC1 ZINC000370060614 404320708 /nfs/dbraw/zinc/32/07/08/404320708.db2.gz PVIDMEIVANPAKH-UHFFFAOYSA-N 1 3 323.525 2.486 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000350476713 404398071 /nfs/dbraw/zinc/39/80/71/404398071.db2.gz FMERUVMQEAEZBK-VPSFDDGASA-N 1 3 322.497 2.127 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000350476713 404398081 /nfs/dbraw/zinc/39/80/81/404398081.db2.gz FMERUVMQEAEZBK-VPSFDDGASA-N 1 3 322.497 2.127 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000342342908 404521946 /nfs/dbraw/zinc/52/19/46/404521946.db2.gz YMGFZJMMRNZFAJ-PBHICJAKSA-N 1 3 322.497 2.081 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000338754932 404522850 /nfs/dbraw/zinc/52/28/50/404522850.db2.gz IAFIYBLROPIVBV-OAHLLOKOSA-N 1 3 311.857 2.401 20 0 DEADHO C[C@@H]1CN(C2CCN(CC[C@H]3CCCC[N@@H+]3C)CC2)CCO1 ZINC000351225419 404532791 /nfs/dbraw/zinc/53/27/91/404532791.db2.gz LMWSJRLJORJNJH-IAGOWNOFSA-N 1 3 309.498 2.046 20 0 DEADHO C[C@@H]1CN(C2CCN(CC[C@H]3CCCC[N@H+]3C)CC2)CCO1 ZINC000351225419 404532796 /nfs/dbraw/zinc/53/27/96/404532796.db2.gz LMWSJRLJORJNJH-IAGOWNOFSA-N 1 3 309.498 2.046 20 0 DEADHO C[C@@H]1CN(C2CC[NH+](CC[C@H]3CCCCN3C)CC2)CCO1 ZINC000351225419 404532804 /nfs/dbraw/zinc/53/28/04/404532804.db2.gz LMWSJRLJORJNJH-IAGOWNOFSA-N 1 3 309.498 2.046 20 0 DEADHO C[C@@H](CNC(=O)N(C)CC1CC[NH+](C)CC1)N1CCCC[C@@H]1C ZINC000351347385 404557746 /nfs/dbraw/zinc/55/77/46/404557746.db2.gz AHXJGOPPDZXAHN-HOTGVXAUSA-N 1 3 324.513 2.233 20 0 DEADHO O=C(CC[C@@H]1CCC[NH2+]1)N1CCCN(Cc2ccccc2)CC1 ZINC000291946730 404594475 /nfs/dbraw/zinc/59/44/75/404594475.db2.gz VASFPFURZMDVEZ-SFHVURJKSA-N 1 3 315.461 2.253 20 0 DEADHO CCCN(CC)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000567483933 292317244 /nfs/dbraw/zinc/31/72/44/292317244.db2.gz DHTUITRYSGNUTB-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CSc1ccccc1NC(=O)CCN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351493173 404605340 /nfs/dbraw/zinc/60/53/40/404605340.db2.gz MEZHZWDRQPGCJG-BFHYXJOUSA-N 1 3 319.474 2.406 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)CN1C1CC1 ZINC000297806078 404629632 /nfs/dbraw/zinc/62/96/32/404629632.db2.gz XUXBIQPWCHRNRH-GOEBONIOSA-N 1 3 300.450 2.265 20 0 DEADHO Cc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414673879 404704981 /nfs/dbraw/zinc/70/49/81/404704981.db2.gz CZNKYKHLFHOBMD-WMZOPIPTSA-N 1 3 315.461 2.329 20 0 DEADHO Cc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414673879 404704984 /nfs/dbraw/zinc/70/49/84/404704984.db2.gz CZNKYKHLFHOBMD-WMZOPIPTSA-N 1 3 315.461 2.329 20 0 DEADHO C[C@H](c1ccccc1F)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414679251 404706655 /nfs/dbraw/zinc/70/66/55/404706655.db2.gz RPBZJYCFORHDFV-KGLIPLIRSA-N 1 3 307.413 2.016 20 0 DEADHO C[C@H](c1ccccc1F)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414679251 404706658 /nfs/dbraw/zinc/70/66/58/404706658.db2.gz RPBZJYCFORHDFV-KGLIPLIRSA-N 1 3 307.413 2.016 20 0 DEADHO Clc1scc(CNCCCN2CC[NH2+]CC2)c1Cl ZINC000414780594 404733241 /nfs/dbraw/zinc/73/32/41/404733241.db2.gz LSXTWQISLBQGCN-UHFFFAOYSA-N 1 3 308.278 2.440 20 0 DEADHO C[C@H](N)CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000414820145 404741860 /nfs/dbraw/zinc/74/18/60/404741860.db2.gz IUKMSKMKSJUFAZ-LBPRGKRZSA-N 1 3 309.841 2.272 20 0 DEADHO FC(F)Oc1cc2c(cc1CNCC[C@@H]1CC[NH2+]C1)OCO2 ZINC000414841495 404746464 /nfs/dbraw/zinc/74/64/64/404746464.db2.gz YBZCZGFNMMDWLN-JTQLQIEISA-N 1 3 314.332 2.106 20 0 DEADHO CC(C)C[C@H](C[NH3+])N[C@@H](C)CC(=O)NCCc1ccccc1 ZINC000414855881 404749660 /nfs/dbraw/zinc/74/96/60/404749660.db2.gz XTOBGDXLPYOVOL-DOTOQJQBSA-N 1 3 305.466 2.087 20 0 DEADHO C[C@H](NC(=O)NC[C@H](C)[NH+]1CCC(C)CC1)C1=CCN(C)CC1 ZINC000358101083 404754162 /nfs/dbraw/zinc/75/41/62/404754162.db2.gz QSRFFPIGEMMQAT-HOTGVXAUSA-N 1 3 322.497 2.056 20 0 DEADHO C[C@H](C[NH3+])CN[C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000414885843 404758123 /nfs/dbraw/zinc/75/81/23/404758123.db2.gz XPGNCBMXKGAHPB-OLZOCXBDSA-N 1 3 311.857 2.261 20 0 DEADHO C[C@H](CN)C[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000414885843 404758126 /nfs/dbraw/zinc/75/81/26/404758126.db2.gz XPGNCBMXKGAHPB-OLZOCXBDSA-N 1 3 311.857 2.261 20 0 DEADHO C[NH+](C)CCOc1ccc(NC(=O)C23CCCN2CCC3)cc1 ZINC000366187054 404769611 /nfs/dbraw/zinc/76/96/11/404769611.db2.gz PEZZEVYPYQWAMZ-UHFFFAOYSA-N 1 3 317.433 2.194 20 0 DEADHO CC(C)C[C@H]1CCCCC[N@@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414714351 404715228 /nfs/dbraw/zinc/71/52/28/404715228.db2.gz VKCCBLIYINAZAV-IAGOWNOFSA-N 1 3 309.498 2.474 20 0 DEADHO CC(C)C[C@H]1CCCCC[N@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414714351 404715229 /nfs/dbraw/zinc/71/52/29/404715229.db2.gz VKCCBLIYINAZAV-IAGOWNOFSA-N 1 3 309.498 2.474 20 0 DEADHO CC[C@@H](Cc1ccccc1)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414718249 404716350 /nfs/dbraw/zinc/71/63/50/404716350.db2.gz ZAURLILJORMRRY-ROUUACIJSA-N 1 3 317.477 2.137 20 0 DEADHO CC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414718249 404716353 /nfs/dbraw/zinc/71/63/53/404716353.db2.gz ZAURLILJORMRRY-ROUUACIJSA-N 1 3 317.477 2.137 20 0 DEADHO CCN(CC(=O)Nc1ccccc1OC)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414745443 404721870 /nfs/dbraw/zinc/72/18/70/404721870.db2.gz XWJCHTQNJFOXFY-HUUCEWRRSA-N 1 3 319.449 2.344 20 0 DEADHO CC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H](C)Cc1ccsc1 ZINC000414752343 404724081 /nfs/dbraw/zinc/72/40/81/404724081.db2.gz BRXIVWBKPGLCES-GOEBONIOSA-N 1 3 323.506 2.198 20 0 DEADHO CC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H](C)Cc1ccsc1 ZINC000414752343 404724085 /nfs/dbraw/zinc/72/40/85/404724085.db2.gz BRXIVWBKPGLCES-GOEBONIOSA-N 1 3 323.506 2.198 20 0 DEADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@H](O)CN1CCCC1 ZINC000353227158 404776194 /nfs/dbraw/zinc/77/61/94/404776194.db2.gz AMFQIPCMWPWAQL-KSSFIOAISA-N 1 3 318.461 2.464 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)CCN(C)C1CC1 ZINC000353228215 404776217 /nfs/dbraw/zinc/77/62/17/404776217.db2.gz CFDOLKTWISDPCV-QGZVFWFLSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N(C)CCN(C)C1CC1 ZINC000353228215 404776219 /nfs/dbraw/zinc/77/62/19/404776219.db2.gz CFDOLKTWISDPCV-QGZVFWFLSA-N 1 3 324.513 2.233 20 0 DEADHO CCN1CCN(c2ccccc2CN[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414961852 404776976 /nfs/dbraw/zinc/77/69/76/404776976.db2.gz ZFDPFVMVKULCEL-WMZOPIPTSA-N 1 3 316.493 2.059 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)N(C)C ZINC000359248174 404788281 /nfs/dbraw/zinc/78/82/81/404788281.db2.gz GXOJRSOINVWURN-YYIAUSFCSA-N 1 3 309.498 2.436 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)N(C)C ZINC000359248174 404788283 /nfs/dbraw/zinc/78/82/83/404788283.db2.gz GXOJRSOINVWURN-YYIAUSFCSA-N 1 3 309.498 2.436 20 0 DEADHO Cc1nn(C)c(CN[C@@H](C)CCCC[NH3+])c1Br ZINC000415019441 404789339 /nfs/dbraw/zinc/78/93/39/404789339.db2.gz VXNIMUQBSXTICZ-VIFPVBQESA-N 1 3 303.248 2.098 20 0 DEADHO Cc1nn(C)c(OCC(F)(F)F)c1CN[C@@H](C)CCCC[NH3+] ZINC000415022645 404789465 /nfs/dbraw/zinc/78/94/65/404789465.db2.gz ZXUUXBZMQBFLHR-JTQLQIEISA-N 1 3 322.375 2.277 20 0 DEADHO COc1ccccc1N1CCC([NH2+]C[C@@H]2CCCNC2)CC1 ZINC000415088973 404804810 /nfs/dbraw/zinc/80/48/10/404804810.db2.gz VYCMAMQNVFIUKT-OAHLLOKOSA-N 1 3 303.450 2.253 20 0 DEADHO COc1ccccc1CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415118117 404811539 /nfs/dbraw/zinc/81/15/39/404811539.db2.gz DPURQYOXLYGQTK-AEFFLSMTSA-N 1 3 304.434 2.414 20 0 DEADHO COc1ccccc1CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415118120 404811688 /nfs/dbraw/zinc/81/16/88/404811688.db2.gz DPURQYOXLYGQTK-FUHWJXTLSA-N 1 3 304.434 2.414 20 0 DEADHO COc1ccc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000415130619 404814765 /nfs/dbraw/zinc/81/47/65/404814765.db2.gz XLBKOAHIUBMIAJ-AEFFLSMTSA-N 1 3 304.434 2.414 20 0 DEADHO COCC1(CNCc2ccc(OC)cc2Cl)CC[NH2+]CC1 ZINC000414950503 404773447 /nfs/dbraw/zinc/77/34/47/404773447.db2.gz FFZWAHGGUUQYTB-UHFFFAOYSA-N 1 3 312.841 2.454 20 0 DEADHO COc1cc(C[NH2+][C@@H](C)CN)ccc1OCc1ccncc1 ZINC000414949418 404773603 /nfs/dbraw/zinc/77/36/03/404773603.db2.gz ZMAFJUSWAIRSAA-ZDUSSCGKSA-N 1 3 301.390 2.106 20 0 DEADHO C[C@H]1CCN(C(=O)Nc2ccccc2CCN(C)C)[C@H](C[NH3+])C1 ZINC000415554045 404881443 /nfs/dbraw/zinc/88/14/43/404881443.db2.gz AXTQTWSXRQIZKU-HOCLYGCPSA-N 1 3 318.465 2.382 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](COC)C2)CC1 ZINC000353613670 404884165 /nfs/dbraw/zinc/88/41/65/404884165.db2.gz OVPWJEQBBOJWGZ-QGZVFWFLSA-N 1 3 317.477 2.297 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](COC)C2)CC1 ZINC000353613670 404884176 /nfs/dbraw/zinc/88/41/76/404884176.db2.gz OVPWJEQBBOJWGZ-QGZVFWFLSA-N 1 3 317.477 2.297 20 0 DEADHO CC(C)[C@](C)(C[NH3+])NC(=O)Nc1ccccc1CCN(C)C ZINC000415561060 404884270 /nfs/dbraw/zinc/88/42/70/404884270.db2.gz GCUOUOOCJKMKQR-KRWDZBQOSA-N 1 3 306.454 2.286 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000415582481 404889684 /nfs/dbraw/zinc/88/96/84/404889684.db2.gz UGSBUQCGSUKIAL-SFHVURJKSA-N 1 3 318.465 2.302 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000360897407 404847642 /nfs/dbraw/zinc/84/76/42/404847642.db2.gz XVPFHSKVLBPKTG-HOTGVXAUSA-N 1 3 312.502 2.090 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000360897407 404847644 /nfs/dbraw/zinc/84/76/44/404847644.db2.gz XVPFHSKVLBPKTG-HOTGVXAUSA-N 1 3 312.502 2.090 20 0 DEADHO N[C@@H]1CCC[C@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000568252791 292326923 /nfs/dbraw/zinc/32/69/23/292326923.db2.gz XBFUJYDCXISJDF-CHWSQXEVSA-N 1 3 306.797 2.402 20 0 DEADHO CN1CC[C@H]([NH2+]Cc2ccccc2OCCO)[C@H]2CCC[C@H]21 ZINC000353513875 404853800 /nfs/dbraw/zinc/85/38/00/404853800.db2.gz FRZMBRWVISTHDA-IXDOHACOSA-N 1 3 304.434 2.020 20 0 DEADHO CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000415921847 404972743 /nfs/dbraw/zinc/97/27/43/404972743.db2.gz RKKQMZWPOIQVJH-YOEHRIQHSA-N 1 3 316.449 2.354 20 0 DEADHO O=C(C[NH2+][C@H]1CCC[C@H]1C1CC1)NCCN1CCCCCC1 ZINC000353667000 404910014 /nfs/dbraw/zinc/91/00/14/404910014.db2.gz BFZJZNVHEQORGS-IRXDYDNUSA-N 1 3 307.482 2.147 20 0 DEADHO C[C@H]1C[C@@H](CCNC(=O)C2(N)CCC2)C[N@@H+]1Cc1ccccc1 ZINC000423902017 404921497 /nfs/dbraw/zinc/92/14/97/404921497.db2.gz LLUOMGUXPOKXGF-DOTOQJQBSA-N 1 3 315.461 2.285 20 0 DEADHO C[C@H]1C[C@@H](CCNC(=O)C2(N)CCC2)C[N@H+]1Cc1ccccc1 ZINC000423902017 404921503 /nfs/dbraw/zinc/92/15/03/404921503.db2.gz LLUOMGUXPOKXGF-DOTOQJQBSA-N 1 3 315.461 2.285 20 0 DEADHO CC(C)(CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)N1CCCCC1 ZINC000416839041 404930741 /nfs/dbraw/zinc/93/07/41/404930741.db2.gz ZWJKVYUCSVXHDI-WKILWMFISA-N 1 3 324.513 2.315 20 0 DEADHO CC[NH2+][C@H](C)CNC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000416845342 404933213 /nfs/dbraw/zinc/93/32/13/404933213.db2.gz RNJSVQSASVKCCB-RHSMWYFYSA-N 1 3 320.481 2.149 20 0 DEADHO CC[NH2+]CC1CCN(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)CC1 ZINC000417016635 405003405 /nfs/dbraw/zinc/00/34/05/405003405.db2.gz OFNSZTOPLCRKIX-CVEARBPZSA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000379660718 405028107 /nfs/dbraw/zinc/02/81/07/405028107.db2.gz CTWLGSUDULWYBJ-SZMVWBNQSA-N 1 3 317.477 2.387 20 0 DEADHO CC(C)[C@@H](C[NH3+])C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000382716644 405032101 /nfs/dbraw/zinc/03/21/01/405032101.db2.gz FJLJDZOYUXYRDX-FUHWJXTLSA-N 1 3 317.477 2.340 20 0 DEADHO CN(CC[N@@H+](C)C1CC1)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000354081590 405034588 /nfs/dbraw/zinc/03/45/88/405034588.db2.gz GBCJCHPBRPCBRR-UHFFFAOYSA-N 1 3 324.428 2.413 20 0 DEADHO NC1(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)CCCCC1 ZINC000424031162 404976713 /nfs/dbraw/zinc/97/67/13/404976713.db2.gz AFYPRSZQJFHDDR-JKSUJKDBSA-N 1 3 319.424 2.131 20 0 DEADHO CSC1(CNC(=O)Nc2ccc(C[NH3+])cc2)CCN(C)CC1 ZINC000415952690 404982711 /nfs/dbraw/zinc/98/27/11/404982711.db2.gz GCGMYDMGVYDMFZ-UHFFFAOYSA-N 1 3 322.478 2.094 20 0 DEADHO CC[C@]1(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC000389856465 405041969 /nfs/dbraw/zinc/04/19/69/405041969.db2.gz AEBBJWNVOBPYPI-VDZJLULYSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H]1CC2(CN1C(=O)C[C@@H](N)c1ccccc1)CC[NH2+]CC2 ZINC000424236079 405046243 /nfs/dbraw/zinc/04/62/43/405046243.db2.gz LCTJLNPUGWWVKE-GOEBONIOSA-N 1 3 301.434 2.067 20 0 DEADHO [NH3+]C[C@@H](CN1CCC(c2c[nH]cn2)CC1)c1ccc(F)cc1 ZINC000424274857 405054511 /nfs/dbraw/zinc/05/45/11/405054511.db2.gz AKYKNVCXUOEULX-HNNXBMFYSA-N 1 3 302.397 2.471 20 0 DEADHO NC[C@@H](C[NH+]1CCC(c2c[nH]cn2)CC1)c1ccc(F)cc1 ZINC000424274857 405054516 /nfs/dbraw/zinc/05/45/16/405054516.db2.gz AKYKNVCXUOEULX-HNNXBMFYSA-N 1 3 302.397 2.471 20 0 DEADHO C[C@@H](NCc1c(Br)cnn1C)C1CC[NH+](C)CC1 ZINC000396465159 405056983 /nfs/dbraw/zinc/05/69/83/405056983.db2.gz SDIGUJRHNROXSI-SNVBAGLBSA-N 1 3 315.259 2.003 20 0 DEADHO C[C@@H]1CC2(CN1CC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)CC[NH2+]CC2 ZINC000424291213 405059306 /nfs/dbraw/zinc/05/93/06/405059306.db2.gz NFTNFJKTLJADIN-NCOADZHNSA-N 1 3 321.509 2.391 20 0 DEADHO CC[NH2+][C@H](C)CNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000417221455 405066983 /nfs/dbraw/zinc/06/69/83/405066983.db2.gz NNBPRLUUSPEJHY-HLLBOEOZSA-N 1 3 318.465 2.119 20 0 DEADHO C[C@@H](CNC(=O)NC[C@H](N)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000417309150 405085611 /nfs/dbraw/zinc/08/56/11/405085611.db2.gz IHZGDPABPHZOHY-RDJZCZTQSA-N 1 3 318.465 2.106 20 0 DEADHO C[C@H](CNC(=O)NC1CCC([NH3+])CC1)N(C)Cc1ccccc1 ZINC000417575646 405092025 /nfs/dbraw/zinc/09/20/25/405092025.db2.gz GKQUPCRDHKENSD-ODIFPOPNSA-N 1 3 318.465 2.076 20 0 DEADHO COC1(C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)CCCC1 ZINC000361577397 405141467 /nfs/dbraw/zinc/14/14/67/405141467.db2.gz KPCYRRZYFUHWNA-UHFFFAOYSA-N 1 3 323.525 2.436 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418650575 405150792 /nfs/dbraw/zinc/15/07/92/405150792.db2.gz KNAKXAFYNDFFPT-WBVHZDCISA-N 1 3 318.465 2.080 20 0 DEADHO O=C(NCCC[C@@H]1CCC[NH2+]1)N1CCC[C@H]1CN1CCCCC1 ZINC000418752514 405192860 /nfs/dbraw/zinc/19/28/60/405192860.db2.gz TUQLAOICYYVGGP-IRXDYDNUSA-N 1 3 322.497 2.179 20 0 DEADHO CN1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437758678 405218228 /nfs/dbraw/zinc/21/82/28/405218228.db2.gz AFIBAUILIZCJAQ-SJORKVTESA-N 1 3 322.497 2.177 20 0 DEADHO CN1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437758678 405218232 /nfs/dbraw/zinc/21/82/32/405218232.db2.gz AFIBAUILIZCJAQ-SJORKVTESA-N 1 3 322.497 2.177 20 0 DEADHO CN1CC[C@@H]2CN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)C[C@@H]21 ZINC000452970850 405267665 /nfs/dbraw/zinc/26/76/65/405267665.db2.gz GENUOZPIPVBXSI-MSOLQXFVSA-N 1 3 313.445 2.059 20 0 DEADHO C[C@H](CC(N)=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453138332 405286390 /nfs/dbraw/zinc/28/63/90/405286390.db2.gz JAYDAUDOXPKELH-SPUZQDLCSA-N 1 3 315.461 2.283 20 0 DEADHO C[C@H](CC(N)=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453138332 405286391 /nfs/dbraw/zinc/28/63/91/405286391.db2.gz JAYDAUDOXPKELH-SPUZQDLCSA-N 1 3 315.461 2.283 20 0 DEADHO CN(C)C(=O)[C@H](NCCCC[N@H+](C)C1CC1)c1ccccc1 ZINC000419298937 405236866 /nfs/dbraw/zinc/23/68/66/405236866.db2.gz JCUJHGYYLRJLOU-QGZVFWFLSA-N 1 3 303.450 2.280 20 0 DEADHO CN(C)C(=O)[C@H](NCCCC[N@@H+](C)C1CC1)c1ccccc1 ZINC000419298937 405236868 /nfs/dbraw/zinc/23/68/68/405236868.db2.gz JCUJHGYYLRJLOU-QGZVFWFLSA-N 1 3 303.450 2.280 20 0 DEADHO CN1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC000425057697 405239320 /nfs/dbraw/zinc/23/93/20/405239320.db2.gz BIBANQYRCCVXQY-RYQLBKOJSA-N 1 3 319.493 2.336 20 0 DEADHO CN1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC000425057697 405239321 /nfs/dbraw/zinc/23/93/21/405239321.db2.gz BIBANQYRCCVXQY-RYQLBKOJSA-N 1 3 319.493 2.336 20 0 DEADHO C[C@H]1CCCN(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000438551851 405250060 /nfs/dbraw/zinc/25/00/60/405250060.db2.gz JAZREBFMDYULMD-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1CCCN(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000438551851 405250062 /nfs/dbraw/zinc/25/00/62/405250062.db2.gz JAZREBFMDYULMD-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)COC1CC[NH+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC000420297355 405310282 /nfs/dbraw/zinc/31/02/82/405310282.db2.gz DARNVFFTGCDWRD-OALUTQOASA-N 1 3 320.477 2.054 20 0 DEADHO CN(C)C(=O)CCN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000420312055 405315664 /nfs/dbraw/zinc/31/56/64/405315664.db2.gz OCIXKSYAUWASIE-HNNXBMFYSA-N 1 3 321.490 2.171 20 0 DEADHO CCOC(=O)CCCC[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000420315807 405316199 /nfs/dbraw/zinc/31/61/99/405316199.db2.gz MRDOBISARPAMKK-SJORKVTESA-N 1 3 304.434 2.394 20 0 DEADHO CCOC(=O)CCCC[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000420315807 405316203 /nfs/dbraw/zinc/31/62/03/405316203.db2.gz MRDOBISARPAMKK-SJORKVTESA-N 1 3 304.434 2.394 20 0 DEADHO CCOC(=O)CCCCN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000420315807 405316206 /nfs/dbraw/zinc/31/62/06/405316206.db2.gz MRDOBISARPAMKK-SJORKVTESA-N 1 3 304.434 2.394 20 0 DEADHO CCc1nc(CN2CCN(CC[C@H]3CCC[NH2+]C3)CC2)cs1 ZINC000420326576 405320870 /nfs/dbraw/zinc/32/08/70/405320870.db2.gz XOWNGZCZKQYRQZ-OAHLLOKOSA-N 1 3 322.522 2.213 20 0 DEADHO CC[C@@H]1CCCCN1C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420333835 405323296 /nfs/dbraw/zinc/32/32/96/405323296.db2.gz FVGWWSCHOHXUGP-IXDOHACOSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)CN(CC(C)C)C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420334990 405323721 /nfs/dbraw/zinc/32/37/21/405323721.db2.gz HAGLXOWFBQUZEL-ROUUACIJSA-N 1 3 323.525 2.449 20 0 DEADHO NC[C@H]1C[N@H+](C[C@H]2CCCC(F)(F)C2)CC12CCOCC2 ZINC000420334281 405324011 /nfs/dbraw/zinc/32/40/11/405324011.db2.gz UDEAJKXRFAILCU-KBPBESRZSA-N 1 3 302.409 2.499 20 0 DEADHO NC[C@H]1C[N@@H+](C[C@H]2CCCC(F)(F)C2)CC12CCOCC2 ZINC000420334281 405324013 /nfs/dbraw/zinc/32/40/13/405324013.db2.gz UDEAJKXRFAILCU-KBPBESRZSA-N 1 3 302.409 2.499 20 0 DEADHO C[C@@H](CN1CCCCCC1)NCc1cc(C2CC[NH2+]CC2)no1 ZINC000425895150 405327431 /nfs/dbraw/zinc/32/74/31/405327431.db2.gz IAAYCXLMWKWWGU-HNNXBMFYSA-N 1 3 320.481 2.496 20 0 DEADHO CCC1(CC)[C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C[C@@H]1OC ZINC000442878828 405337346 /nfs/dbraw/zinc/33/73/46/405337346.db2.gz VBLHHZKMSCWPHD-CVEARBPZSA-N 1 3 311.514 2.196 20 0 DEADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(CCOc2ccccc2)CC1 ZINC000420382965 405338976 /nfs/dbraw/zinc/33/89/76/405338976.db2.gz QCHUKXHWXOMXKQ-MSOLQXFVSA-N 1 3 304.434 2.284 20 0 DEADHO Cc1c(F)cccc1NC(=O)CCN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420420591 405348582 /nfs/dbraw/zinc/34/85/82/405348582.db2.gz XZJHLUWCDCPNEU-TZMCWYRMSA-N 1 3 307.413 2.379 20 0 DEADHO CCC[N@H+](C)CC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000439764927 405291976 /nfs/dbraw/zinc/29/19/76/405291976.db2.gz YRGQYJOOFHYPSO-OAHLLOKOSA-N 1 3 318.465 2.065 20 0 DEADHO CCC[N@@H+](C)CC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000439764927 405291979 /nfs/dbraw/zinc/29/19/79/405291979.db2.gz YRGQYJOOFHYPSO-OAHLLOKOSA-N 1 3 318.465 2.065 20 0 DEADHO CCCN(C)CC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000439764927 405291981 /nfs/dbraw/zinc/29/19/81/405291981.db2.gz YRGQYJOOFHYPSO-OAHLLOKOSA-N 1 3 318.465 2.065 20 0 DEADHO O=C(C[C@H]1CCC[NH2+]CC1)N1CCC[C@@H]1CN1CCCCC1 ZINC000427320364 405399495 /nfs/dbraw/zinc/39/94/95/405399495.db2.gz LZKKXIUUWSEHSG-DLBZAZTESA-N 1 3 307.482 2.243 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC000448434606 405420912 /nfs/dbraw/zinc/42/09/12/405420912.db2.gz HNGOGEBHJGTCNV-IXDOHACOSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC000448434606 405420914 /nfs/dbraw/zinc/42/09/14/405420914.db2.gz HNGOGEBHJGTCNV-IXDOHACOSA-N 1 3 309.498 2.343 20 0 DEADHO CCN1CCC([N@@H+]2CCCN(CCOCC(C)C)CC2)CC1 ZINC000420986031 405421444 /nfs/dbraw/zinc/42/14/44/405421444.db2.gz XHZSQLQGSKWTCR-UHFFFAOYSA-N 1 3 311.514 2.151 20 0 DEADHO CCN1CCC([N@H+]2CCCN(CCOCC(C)C)CC2)CC1 ZINC000420986031 405421445 /nfs/dbraw/zinc/42/14/45/405421445.db2.gz XHZSQLQGSKWTCR-UHFFFAOYSA-N 1 3 311.514 2.151 20 0 DEADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CC[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000426455707 405361035 /nfs/dbraw/zinc/36/10/35/405361035.db2.gz BSWSXHIKNYOHIS-FGTMMUONSA-N 1 3 315.461 2.280 20 0 DEADHO CN(C)[C@H](CNC(=O)C[N@H+]1CC[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000426455707 405361038 /nfs/dbraw/zinc/36/10/38/405361038.db2.gz BSWSXHIKNYOHIS-FGTMMUONSA-N 1 3 315.461 2.280 20 0 DEADHO C[C@@H](N[C@H](CO)CC(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000429461245 405431469 /nfs/dbraw/zinc/43/14/69/405431469.db2.gz IHIWATCLVIJAEV-OCCSQVGLSA-N 1 3 316.392 2.294 20 0 DEADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCC(=O)N2CCc3ccccc32)C1 ZINC000430595641 405463782 /nfs/dbraw/zinc/46/37/82/405463782.db2.gz YEBWSRQBTIJWMC-GDBMZVCRSA-N 1 3 301.434 2.025 20 0 DEADHO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N1CCC(C[NH3+])CC1 ZINC000430619609 405467141 /nfs/dbraw/zinc/46/71/41/405467141.db2.gz ABTACDNSIPPFGY-HUUCEWRRSA-N 1 3 303.450 2.231 20 0 DEADHO C[C@H](N)[C@H]1CCCC[N@@H+]1CCC(=O)N1CCc2sccc2C1 ZINC000430649139 405480095 /nfs/dbraw/zinc/48/00/95/405480095.db2.gz IFIHYBWWDHRODV-DZGCQCFKSA-N 1 3 321.490 2.225 20 0 DEADHO C[C@H](N)[C@H]1CCCC[N@H+]1CCC(=O)N1CCc2sccc2C1 ZINC000430649139 405480099 /nfs/dbraw/zinc/48/00/99/405480099.db2.gz IFIHYBWWDHRODV-DZGCQCFKSA-N 1 3 321.490 2.225 20 0 DEADHO CO[C@@H](C[NH2+]C1CCN(C2CCN(C)CC2)CC1)CC(C)C ZINC000638459193 405481334 /nfs/dbraw/zinc/48/13/34/405481334.db2.gz IJMWTSYYNSTKSB-GOSISDBHSA-N 1 3 311.514 2.196 20 0 DEADHO C[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)C1=CCN(C)CC1 ZINC000458644461 405520979 /nfs/dbraw/zinc/52/09/79/405520979.db2.gz XPJYDVSUBHOYRA-AWEZNQCLSA-N 1 3 310.486 2.056 20 0 DEADHO CCO[C@@H]1C[C@@H](NC[C@H]2CCC[N@@H+](C(C)C)C2)[C@]12CCCO2 ZINC000638566161 405550188 /nfs/dbraw/zinc/55/01/88/405550188.db2.gz CFNNECUCAOGIAF-BRSBDYLESA-N 1 3 310.482 2.423 20 0 DEADHO CCO[C@@H]1C[C@@H](NC[C@H]2CCC[N@H+](C(C)C)C2)[C@]12CCCO2 ZINC000638566161 405550197 /nfs/dbraw/zinc/55/01/97/405550197.db2.gz CFNNECUCAOGIAF-BRSBDYLESA-N 1 3 310.482 2.423 20 0 DEADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)[C@]12CCCO2 ZINC000638566161 405550203 /nfs/dbraw/zinc/55/02/03/405550203.db2.gz CFNNECUCAOGIAF-BRSBDYLESA-N 1 3 310.482 2.423 20 0 DEADHO C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000638668974 405606956 /nfs/dbraw/zinc/60/69/56/405606956.db2.gz UQVWZBQJTKRJDS-CQSZACIVSA-N 1 3 305.422 2.131 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C2([NH3+])CCCC2)C1 ZINC000431061842 405570200 /nfs/dbraw/zinc/57/02/00/405570200.db2.gz MKCDDBXCAWCVPF-ZBFHGGJFSA-N 1 3 301.434 2.210 20 0 DEADHO C[C@H]1CN(C(=O)N[C@H](C[NH3+])C2CCCC2)CCN(C2CCC2)C1 ZINC000557218765 405586943 /nfs/dbraw/zinc/58/69/43/405586943.db2.gz AJPZVSHZPQUPAS-RHSMWYFYSA-N 1 3 322.497 2.020 20 0 DEADHO CCc1ccc([C@H](CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])N(C)C)cc1 ZINC000422733278 405678340 /nfs/dbraw/zinc/67/83/40/405678340.db2.gz QUIWQFGKUZDMRD-PIKADFDJSA-N 1 3 319.493 2.194 20 0 DEADHO CC1(C)CCC[N@@H+]1CCNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000457048174 405670355 /nfs/dbraw/zinc/67/03/55/405670355.db2.gz DNOGNIWXEQNNEG-INIZCTEOSA-N 1 3 307.482 2.384 20 0 DEADHO CC1(C)CCC[N@H+]1CCNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000457048174 405670362 /nfs/dbraw/zinc/67/03/62/405670362.db2.gz DNOGNIWXEQNNEG-INIZCTEOSA-N 1 3 307.482 2.384 20 0 DEADHO CC1(C)CCCN1CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000457048174 405670368 /nfs/dbraw/zinc/67/03/68/405670368.db2.gz DNOGNIWXEQNNEG-INIZCTEOSA-N 1 3 307.482 2.384 20 0 DEADHO CC1(C)CCCN1CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000457048174 405670374 /nfs/dbraw/zinc/67/03/74/405670374.db2.gz DNOGNIWXEQNNEG-INIZCTEOSA-N 1 3 307.482 2.384 20 0 DEADHO CCN(CC)[C@H](CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])c1ccccc1 ZINC000422730237 405677966 /nfs/dbraw/zinc/67/79/66/405677966.db2.gz JKYXRLSDMIJZEY-QXCFHYIPSA-N 1 3 319.493 2.411 20 0 DEADHO CO[C@@]1(CNCC[C@@H](C)[N@H+](C)Cc2ccccc2)CCOC1 ZINC000638725332 405636436 /nfs/dbraw/zinc/63/64/36/405636436.db2.gz DNBXIWIKWUKNLC-SJLPKXTDSA-N 1 3 306.450 2.292 20 0 DEADHO CO[C@@]1(CNCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CCOC1 ZINC000638725332 405636445 /nfs/dbraw/zinc/63/64/45/405636445.db2.gz DNBXIWIKWUKNLC-SJLPKXTDSA-N 1 3 306.450 2.292 20 0 DEADHO Cc1cc(N2CCC([NH2+][C@@H]3CCCC[C@@H]3CN)CC2)nc(C)n1 ZINC000422840229 405687114 /nfs/dbraw/zinc/68/71/14/405687114.db2.gz SJDCQTMQMMCHBG-NVXWUHKLSA-N 1 3 317.481 2.169 20 0 DEADHO C[C@H]([NH3+])c1ccc(C(=O)N2CCOc3ccc(CN)cc32)cc1 ZINC000638807623 405680404 /nfs/dbraw/zinc/68/04/04/405680404.db2.gz NWMYVUBWIZUWTE-LBPRGKRZSA-N 1 3 311.385 2.204 20 0 DEADHO C[C@H](NCCCN1CC[NH2+]CC1)c1ccccc1OC(F)F ZINC000423174589 405711972 /nfs/dbraw/zinc/71/19/72/405711972.db2.gz BEZFOTGCOBTTCR-ZDUSSCGKSA-N 1 3 313.392 2.234 20 0 DEADHO C[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)N(C)C ZINC000459049496 405714586 /nfs/dbraw/zinc/71/45/86/405714586.db2.gz YYAYMJVKOCZDOI-IRXDYDNUSA-N 1 3 324.513 2.090 20 0 DEADHO CC[NH+](CC)C[C@H]1CCN(C(=O)C[C@@H](N)Cc2ccccc2)C1 ZINC000583497890 405748318 /nfs/dbraw/zinc/74/83/18/405748318.db2.gz NIKSGEPFLKLUHZ-MSOLQXFVSA-N 1 3 317.477 2.137 20 0 DEADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@H](N)C2CCC2)c1 ZINC000423318273 405758319 /nfs/dbraw/zinc/75/83/19/405758319.db2.gz DKAARTGLVYFDCK-QGZVFWFLSA-N 1 3 303.450 2.272 20 0 DEADHO CC(C)[C@H](C(=O)N1CCN(CC2CCCCC2)CC1)[C@H](C)[NH3+] ZINC000423321164 405759697 /nfs/dbraw/zinc/75/96/97/405759697.db2.gz MWWNMWISINLOPR-RDJZCZTQSA-N 1 3 309.498 2.330 20 0 DEADHO C[C@@H]1CCN[C@H](C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000423366762 405779004 /nfs/dbraw/zinc/77/90/04/405779004.db2.gz CWBXPMXHQHIARL-KURKYZTESA-N 1 3 321.509 2.489 20 0 DEADHO FC(F)(F)[C@H](CN[C@@H]1CCc2ccccc21)N1CC[NH2+]CC1 ZINC000423392311 405787235 /nfs/dbraw/zinc/78/72/35/405787235.db2.gz QBYKMKRMTATZSB-CABCVRRESA-N 1 3 313.367 2.100 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CCC[C@H]3C[NH3+])C2)cc1 ZINC000639005896 405818002 /nfs/dbraw/zinc/81/80/02/405818002.db2.gz QSZCFZHGWWBONN-BZSNNMDCSA-N 1 3 315.461 2.061 20 0 DEADHO CC(C)(CNC(=O)[C@@H]([NH3+])C1CCC1)N1CCc2ccccc2C1 ZINC000423332726 405766068 /nfs/dbraw/zinc/76/60/68/405766068.db2.gz QZEFIWOXLLKPDB-KRWDZBQOSA-N 1 3 315.461 2.067 20 0 DEADHO CCN1C[C@H](C)[C@H](N[C@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)C1 ZINC000423337705 405768003 /nfs/dbraw/zinc/76/80/03/405768003.db2.gz RJJJEIDEBOVYFS-KLIQENQMSA-N 1 3 317.477 2.071 20 0 DEADHO CCc1cc(NCc2ccccc2CN2CC[C@@H](O)C2)cc[nH+]1 ZINC000450431923 405892550 /nfs/dbraw/zinc/89/25/50/405892550.db2.gz CPYPJHZXQVJJHP-LJQANCHMSA-N 1 3 311.429 2.245 20 0 DEADHO CCC[N@H+](C)CC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000530589514 405832741 /nfs/dbraw/zinc/83/27/41/405832741.db2.gz XWTDUOOHRIGHPQ-OAHLLOKOSA-N 1 3 311.857 2.401 20 0 DEADHO CCC[N@@H+](C)CC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000530589514 405832745 /nfs/dbraw/zinc/83/27/45/405832745.db2.gz XWTDUOOHRIGHPQ-OAHLLOKOSA-N 1 3 311.857 2.401 20 0 DEADHO CCn1cc([C@H]2OCCC[C@@H]2N[C@@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000639079790 405868729 /nfs/dbraw/zinc/86/87/29/405868729.db2.gz NENCBXIGULSNKR-MXASKKJJSA-N 1 3 306.454 2.195 20 0 DEADHO CCn1cc([C@H]2OCCC[C@@H]2N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000639079790 405868736 /nfs/dbraw/zinc/86/87/36/405868736.db2.gz NENCBXIGULSNKR-MXASKKJJSA-N 1 3 306.454 2.195 20 0 DEADHO CCn1cccc(C[NH2+]C2CCN(c3ccncc3)CC2)c1=O ZINC000459497999 405930378 /nfs/dbraw/zinc/93/03/78/405930378.db2.gz AGMCOTDTBVVQEL-UHFFFAOYSA-N 1 3 312.417 2.022 20 0 DEADHO CC(C)CN(C(=O)c1ccc(C[NH3+])cc1)C1CCN(C)CC1 ZINC000423738983 405937723 /nfs/dbraw/zinc/93/77/23/405937723.db2.gz CMKVNZCDINUKRT-UHFFFAOYSA-N 1 3 303.450 2.338 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000423760805 405951939 /nfs/dbraw/zinc/95/19/39/405951939.db2.gz NQPHPUBCHOSQLJ-MRXNPFEDSA-N 1 3 309.498 2.347 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000423765004 405955380 /nfs/dbraw/zinc/95/53/80/405955380.db2.gz UICDIGZJDQTXNC-IAGOWNOFSA-N 1 3 309.498 2.332 20 0 DEADHO CCC[NH2+][C@@H](C)C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000423775527 405957747 /nfs/dbraw/zinc/95/77/47/405957747.db2.gz OZZIKBZZMSUCEM-WFASDCNBSA-N 1 3 311.857 2.447 20 0 DEADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000423781545 405965028 /nfs/dbraw/zinc/96/50/28/405965028.db2.gz KZIWFEWJAYHEQK-FUCKSNOFSA-N 1 3 319.493 2.083 20 0 DEADHO C[C@@H]1C[C@@H](Nc2cccc(CN3CC[C@@H](O)C3)c2)CC[N@@H+]1C ZINC000639198461 405965411 /nfs/dbraw/zinc/96/54/11/405965411.db2.gz QDRYEVLKWJZUTP-FHLIZLRMSA-N 1 3 303.450 2.148 20 0 DEADHO C[C@@H]1C[C@@H](Nc2cccc(CN3CC[C@@H](O)C3)c2)CC[N@H+]1C ZINC000639198461 405965417 /nfs/dbraw/zinc/96/54/17/405965417.db2.gz QDRYEVLKWJZUTP-FHLIZLRMSA-N 1 3 303.450 2.148 20 0 DEADHO CCC[N@H+](CCN1CCN(CC)CC1)CC1CCC(=O)CC1 ZINC000451039608 406027674 /nfs/dbraw/zinc/02/76/74/406027674.db2.gz YWBVREADRFTLDE-UHFFFAOYSA-N 1 3 309.498 2.095 20 0 DEADHO CCC[N@@H+](CCN1CCN(CC)CC1)CC1CCC(=O)CC1 ZINC000451039608 406027676 /nfs/dbraw/zinc/02/76/76/406027676.db2.gz YWBVREADRFTLDE-UHFFFAOYSA-N 1 3 309.498 2.095 20 0 DEADHO Cc1nnsc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000639312390 406039571 /nfs/dbraw/zinc/03/95/71/406039571.db2.gz XQSRTMASAVBTKB-UHFFFAOYSA-N 1 3 317.462 2.243 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCCNC(=O)C1 ZINC000639358737 406063402 /nfs/dbraw/zinc/06/34/02/406063402.db2.gz ATMIRNRLGLFWHF-BPQIPLTHSA-N 1 3 315.461 2.013 20 0 DEADHO CC1CCC(N2CCN(C(=O)NC[C@H]3CCCC[NH2+]3)CC2)CC1 ZINC000634260414 406072240 /nfs/dbraw/zinc/07/22/40/406072240.db2.gz SHUGORSXTQIRJI-AQFXKWCLSA-N 1 3 322.497 2.034 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1)[NH+](C)C ZINC000634276090 406078397 /nfs/dbraw/zinc/07/83/97/406078397.db2.gz WKWYUXWUYLTOCD-IRXDYDNUSA-N 1 3 303.450 2.026 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)CC[NH2+]C(C)C ZINC000518524647 406143692 /nfs/dbraw/zinc/14/36/92/406143692.db2.gz IOQRBKJRUDDFDK-UHFFFAOYSA-N 1 3 305.466 2.485 20 0 DEADHO [NH3+][C@H](CCC(=O)NC[C@@H]1NCCc2ccccc21)c1ccccc1 ZINC000567871722 406152020 /nfs/dbraw/zinc/15/20/20/406152020.db2.gz JTKZHYRQTZUAOT-MOPGFXCFSA-N 1 3 323.440 2.470 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000478921049 406157801 /nfs/dbraw/zinc/15/78/01/406157801.db2.gz BJIROKZHKVUVQW-MVJTYMMSSA-N 1 3 315.461 2.326 20 0 DEADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCC(=O)N(C)C)C2)s1 ZINC000567994930 406177240 /nfs/dbraw/zinc/17/72/40/406177240.db2.gz YLRWIZNCSGBWFS-OAHLLOKOSA-N 1 3 323.506 2.289 20 0 DEADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCC(=O)N(C)C)C2)s1 ZINC000567994930 406177243 /nfs/dbraw/zinc/17/72/43/406177243.db2.gz YLRWIZNCSGBWFS-OAHLLOKOSA-N 1 3 323.506 2.289 20 0 DEADHO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000568106399 406193646 /nfs/dbraw/zinc/19/36/46/406193646.db2.gz PMTWKYDUDQBRBY-ZWKOTPCHSA-N 1 3 315.461 2.099 20 0 DEADHO COCCn1cc(CN2CCC(C[N@H+](C)C(C)C)CC2)cn1 ZINC000535083286 406211642 /nfs/dbraw/zinc/21/16/42/406211642.db2.gz YWGIANDXJHTAOJ-UHFFFAOYSA-N 1 3 308.470 2.082 20 0 DEADHO COCCn1cc(CN2CCC(C[N@@H+](C)C(C)C)CC2)cn1 ZINC000535083286 406211648 /nfs/dbraw/zinc/21/16/48/406211648.db2.gz YWGIANDXJHTAOJ-UHFFFAOYSA-N 1 3 308.470 2.082 20 0 DEADHO CC[NH+](CC)CCO[C@H]1CCN(CCc2ccncc2C)C1 ZINC000519600743 406219613 /nfs/dbraw/zinc/21/96/13/406219613.db2.gz SSEHCGDKVMYCGG-SFHVURJKSA-N 1 3 305.466 2.365 20 0 DEADHO CC[N@@H+]1CC[C@H](NCCn2ccc(C(F)(F)F)n2)[C@H](C)C1 ZINC000634687459 406225633 /nfs/dbraw/zinc/22/56/33/406225633.db2.gz LRFKEYSHYYQIGP-NEPJUHHUSA-N 1 3 304.360 2.222 20 0 DEADHO CC[N@H+]1CC[C@H](NCCn2ccc(C(F)(F)F)n2)[C@H](C)C1 ZINC000634687459 406225635 /nfs/dbraw/zinc/22/56/35/406225635.db2.gz LRFKEYSHYYQIGP-NEPJUHHUSA-N 1 3 304.360 2.222 20 0 DEADHO C[C@@H]1CCCC[C@H]1N(C)C(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639757041 406238319 /nfs/dbraw/zinc/23/83/19/406238319.db2.gz CLMZKRUZYLAQTI-IAGOWNOFSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCC1CCC1 ZINC000487757787 406261481 /nfs/dbraw/zinc/26/14/81/406261481.db2.gz ZQBCWVIEUROPDR-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCC1CCC1 ZINC000487757787 406261483 /nfs/dbraw/zinc/26/14/83/406261483.db2.gz ZQBCWVIEUROPDR-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1cccc2c1CCNC2 ZINC000569556934 406268694 /nfs/dbraw/zinc/26/86/94/406268694.db2.gz SPALQIRGDWICET-CQSZACIVSA-N 1 3 316.449 2.328 20 0 DEADHO CN(Cc1ccccc1)C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC000569071584 292386932 /nfs/dbraw/zinc/38/69/32/292386932.db2.gz SIISVCYWXLMXAV-KRWDZBQOSA-N 1 3 315.461 2.109 20 0 DEADHO CN(Cc1ccccc1)C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC000569071584 292386934 /nfs/dbraw/zinc/38/69/34/292386934.db2.gz SIISVCYWXLMXAV-KRWDZBQOSA-N 1 3 315.461 2.109 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000634761108 406270814 /nfs/dbraw/zinc/27/08/14/406270814.db2.gz SMJYDPLTCRVLJX-MRXNPFEDSA-N 1 3 303.450 2.256 20 0 DEADHO CC1(C)C[NH2+]CC[C@@H](NC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000634763702 406271168 /nfs/dbraw/zinc/27/11/68/406271168.db2.gz BHKVLUOMBZWADE-GDBMZVCRSA-N 1 3 301.434 2.115 20 0 DEADHO C[C@@H](C[NH2+]C[C@H](O)COc1ccc(F)cc1)CN1CCCCC1 ZINC000569712493 406294471 /nfs/dbraw/zinc/29/44/71/406294471.db2.gz HQCZNAZICCHLBV-RDJZCZTQSA-N 1 3 324.440 2.277 20 0 DEADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCN2C2CCCC2)CC[N@@H+]1C ZINC000637474859 406321585 /nfs/dbraw/zinc/32/15/85/406321585.db2.gz JPIIZUBRXQTJAV-OIISXLGYSA-N 1 3 322.497 2.127 20 0 DEADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCN2C2CCCC2)CC[N@H+]1C ZINC000637474859 406321591 /nfs/dbraw/zinc/32/15/91/406321591.db2.gz JPIIZUBRXQTJAV-OIISXLGYSA-N 1 3 322.497 2.127 20 0 DEADHO COc1cccc([C@@H](C)[NH2+]C[C@H](O)[C@@H](N)Cc2ccccc2)c1 ZINC000569817592 406306515 /nfs/dbraw/zinc/30/65/15/406306515.db2.gz REVOTPARIFKZHM-CCKFTAQKSA-N 1 3 314.429 2.277 20 0 DEADHO C[C@@H](C[N@@H+]1CC[C@H](n2cc(CN)nn2)C1)c1cccc(Cl)c1 ZINC000635000010 406393317 /nfs/dbraw/zinc/39/33/17/406393317.db2.gz FGAUBBHZEWUIFH-LRDDRELGSA-N 1 3 319.840 2.441 20 0 DEADHO C[C@@H](C[N@H+]1CC[C@H](n2cc(CN)nn2)C1)c1cccc(Cl)c1 ZINC000635000010 406393322 /nfs/dbraw/zinc/39/33/22/406393322.db2.gz FGAUBBHZEWUIFH-LRDDRELGSA-N 1 3 319.840 2.441 20 0 DEADHO CCO[C@H]1C[C@@H](Nc2cc(N3CCNCC3)cc[nH+]2)C12CCC2 ZINC000635008832 406396969 /nfs/dbraw/zinc/39/69/69/406396969.db2.gz KYLTZJLDNACMKV-CVEARBPZSA-N 1 3 316.449 2.251 20 0 DEADHO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)c1ccc(S(C)(=O)=O)cc1 ZINC000635010957 406398877 /nfs/dbraw/zinc/39/88/77/406398877.db2.gz CCFNBNBLJJIAMD-UKPHBRMFSA-N 1 3 324.490 2.301 20 0 DEADHO C[C@H](CN[C@H]1CCCCC[C@H]1[NH3+])c1ccc(S(C)(=O)=O)cc1 ZINC000635012487 406399745 /nfs/dbraw/zinc/39/97/45/406399745.db2.gz MPOKHZHHHALIRN-XYPHTWIQSA-N 1 3 324.490 2.443 20 0 DEADHO C[C@H]1C[C@H](NC(=O)N2CCC(C)([NH+]3CCCC3)CC2)CCN1C ZINC000633092782 406379240 /nfs/dbraw/zinc/37/92/40/406379240.db2.gz LXZQXHXDLALRTB-JKSUJKDBSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)N1CCC[C@H](C)C1 ZINC000635301276 406491577 /nfs/dbraw/zinc/49/15/77/406491577.db2.gz WQUWOCPBGNXMMZ-JKSUJKDBSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCN1C1CCCC1 ZINC000635125646 406433025 /nfs/dbraw/zinc/43/30/25/406433025.db2.gz NMBYAENOYRMVKZ-WBVHZDCISA-N 1 3 307.482 2.384 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCN1C1CCCC1 ZINC000635125646 406433030 /nfs/dbraw/zinc/43/30/30/406433030.db2.gz NMBYAENOYRMVKZ-WBVHZDCISA-N 1 3 307.482 2.384 20 0 DEADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CNCc2ccccc21 ZINC000570799020 406440636 /nfs/dbraw/zinc/44/06/36/406440636.db2.gz BAJSSSRTGQUWRZ-KSSFIOAISA-N 1 3 315.461 2.062 20 0 DEADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CNCc2ccccc21 ZINC000570799019 406441053 /nfs/dbraw/zinc/44/10/53/406441053.db2.gz BAJSSSRTGQUWRZ-KDOFPFPSSA-N 1 3 315.461 2.062 20 0 DEADHO CC[C@@H](C)N[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)c1ccco1 ZINC000640300951 406458168 /nfs/dbraw/zinc/45/81/68/406458168.db2.gz WPDUJORZFPVRAW-KGLIPLIRSA-N 1 3 307.438 2.167 20 0 DEADHO C[C@@H](Cc1ccccc1F)[NH2+]Cc1nnc(C2CC[NH2+]CC2)[n-]1 ZINC000571551309 406535618 /nfs/dbraw/zinc/53/56/18/406535618.db2.gz HIEATEOBOQPYJS-LBPRGKRZSA-N 1 3 317.412 2.132 20 0 DEADHO CC1=CCN(CCNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000548719554 406543368 /nfs/dbraw/zinc/54/33/68/406543368.db2.gz DSLVNKNWDDPPAG-UHFFFAOYSA-N 1 3 307.482 2.409 20 0 DEADHO CC1=CCN(CCNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000548719554 406543373 /nfs/dbraw/zinc/54/33/73/406543373.db2.gz DSLVNKNWDDPPAG-UHFFFAOYSA-N 1 3 307.482 2.409 20 0 DEADHO CO[C@](C)(CN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)C1CC1 ZINC000637984677 406508486 /nfs/dbraw/zinc/50/84/86/406508486.db2.gz JWIZVMALRSWUQM-ZIFCJYIRSA-N 1 3 323.525 2.292 20 0 DEADHO CO[C@](C)(CN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)C1CC1 ZINC000637984677 406508490 /nfs/dbraw/zinc/50/84/90/406508490.db2.gz JWIZVMALRSWUQM-ZIFCJYIRSA-N 1 3 323.525 2.292 20 0 DEADHO CC[C@](C)(CN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)OC ZINC000637984416 406508560 /nfs/dbraw/zinc/50/85/60/406508560.db2.gz FWBRJXXHQLKERV-FGTMMUONSA-N 1 3 311.514 2.292 20 0 DEADHO CC[C@](C)(CN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)OC ZINC000637984416 406508563 /nfs/dbraw/zinc/50/85/63/406508563.db2.gz FWBRJXXHQLKERV-FGTMMUONSA-N 1 3 311.514 2.292 20 0 DEADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(Cl)cn1 ZINC000548483309 406521803 /nfs/dbraw/zinc/52/18/03/406521803.db2.gz ZGKPZAFTXLDIRJ-AWEZNQCLSA-N 1 3 310.873 2.413 20 0 DEADHO C[C@H]1CCC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000527202718 406595311 /nfs/dbraw/zinc/59/53/11/406595311.db2.gz ZBEAATJHGFLDKU-HOTGVXAUSA-N 1 3 312.502 2.090 20 0 DEADHO CSC[C@H](O)C[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000572028878 406596846 /nfs/dbraw/zinc/59/68/46/406596846.db2.gz JMEFEUPMIHDQDZ-CQSZACIVSA-N 1 3 314.520 2.274 20 0 DEADHO O=C([C@H]1CCN1C1CCCC1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000635612541 406623751 /nfs/dbraw/zinc/62/37/51/406623751.db2.gz IPGFSNCIEFOOQC-SJLPKXTDSA-N 1 3 319.493 2.338 20 0 DEADHO C[NH+](C)CCC1CCN(C(=O)[C@H]2CCN2C2CCCC2)CC1 ZINC000635558914 406590736 /nfs/dbraw/zinc/59/07/36/406590736.db2.gz OLQYFZAKIMXCIV-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cscc1Cl ZINC000640777738 406654213 /nfs/dbraw/zinc/65/42/13/406654213.db2.gz HFQCUBUBZQPCMV-UHFFFAOYSA-N 1 3 318.874 2.359 20 0 DEADHO C[C@H](C[C@H]1COCCN1)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000572392392 406661508 /nfs/dbraw/zinc/66/15/08/406661508.db2.gz FBJBUHQPEYTKPH-CCKFTAQKSA-N 1 3 313.445 2.196 20 0 DEADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)/C=C\CN(C)C ZINC000491687914 406668756 /nfs/dbraw/zinc/66/87/56/406668756.db2.gz YNFJHJJQDQGLLQ-FLIBITNWSA-N 1 3 303.450 2.261 20 0 DEADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)/C=C\CN(C)C ZINC000491687914 406668759 /nfs/dbraw/zinc/66/87/59/406668759.db2.gz YNFJHJJQDQGLLQ-FLIBITNWSA-N 1 3 303.450 2.261 20 0 DEADHO CCN1CCC([N@@H+]2CCCN(CCC[C@H]3CCOC3)CC2)CC1 ZINC000645929113 406704077 /nfs/dbraw/zinc/70/40/77/406704077.db2.gz RRMAMHMLUHRCDD-SFHVURJKSA-N 1 3 323.525 2.295 20 0 DEADHO CCN1CCC([N@H+]2CCCN(CCC[C@H]3CCOC3)CC2)CC1 ZINC000645929113 406704084 /nfs/dbraw/zinc/70/40/84/406704084.db2.gz RRMAMHMLUHRCDD-SFHVURJKSA-N 1 3 323.525 2.295 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)CC[NH2+]C2CC2)CC1 ZINC000572541753 406689969 /nfs/dbraw/zinc/68/99/69/406689969.db2.gz IKJPFDXRWASVHR-HNNXBMFYSA-N 1 3 315.461 2.470 20 0 DEADHO O=C(N1CCN(C2CCCCC2)CC1)C12CCC[NH+](CCC1)C2 ZINC000635704307 406691940 /nfs/dbraw/zinc/69/19/40/406691940.db2.gz RXYFYHJGIIVKGG-UHFFFAOYSA-N 1 3 319.493 2.339 20 0 DEADHO CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000646012000 406742427 /nfs/dbraw/zinc/74/24/27/406742427.db2.gz DOJDTEMHRHMRRU-UAGQMJEPSA-N 1 3 303.450 2.313 20 0 DEADHO Cc1cccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@H](N(C)C)C2)c1 ZINC000572870279 406754907 /nfs/dbraw/zinc/75/49/07/406754907.db2.gz JCCHVIRIFYFRFQ-YESZJQIVSA-N 1 3 306.450 2.197 20 0 DEADHO CC(C)CC[C@@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000638412821 406756786 /nfs/dbraw/zinc/75/67/86/406756786.db2.gz MLWOZLLUYSDYFT-BRWVUGGUSA-N 1 3 321.440 2.151 20 0 DEADHO CCN1CCN(CCCC[NH2+]C[C@@H](OC)C2CCCC2)CC1 ZINC000638359718 406722927 /nfs/dbraw/zinc/72/29/27/406722927.db2.gz MDYHITVGKJHVGA-GOSISDBHSA-N 1 3 311.514 2.199 20 0 DEADHO COc1cccc(C)c1C[NH2+]CCCCN1CCN(C)CC1 ZINC000638359665 406723181 /nfs/dbraw/zinc/72/31/81/406723181.db2.gz KWBVLAVCLVHJJK-UHFFFAOYSA-N 1 3 305.466 2.121 20 0 DEADHO C[NH+]1CCC2(CC1)CN(CCCOCc1ccccc1)CCO2 ZINC000646105669 406781890 /nfs/dbraw/zinc/78/18/90/406781890.db2.gz BUHLMEKTRISRNK-UHFFFAOYSA-N 1 3 318.461 2.390 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)[C@H](C)[NH3+] ZINC000646105926 406782814 /nfs/dbraw/zinc/78/28/14/406782814.db2.gz MDBSMRGAKOZYEO-SZMVWBNQSA-N 1 3 317.477 2.339 20 0 DEADHO CC(C)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000646215678 406818242 /nfs/dbraw/zinc/81/82/42/406818242.db2.gz MQMOGEDWUGHEIM-IRXDYDNUSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2[NH2+]CC2(C)C)CCN1Cc1ccccc1 ZINC000646176401 406809093 /nfs/dbraw/zinc/80/90/93/406809093.db2.gz ULIVBOHANLYHAR-PVAVHDDUSA-N 1 3 315.461 2.154 20 0 DEADHO CCCN[C@@H](C)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000646278963 406833979 /nfs/dbraw/zinc/83/39/79/406833979.db2.gz RBLKNQUPDWVACO-AWEZNQCLSA-N 1 3 307.438 2.344 20 0 DEADHO CC[C@H](CNC(=O)[C@H]([NH3+])CC(C)C)N1CCc2ccccc2C1 ZINC000646407976 406858786 /nfs/dbraw/zinc/85/87/86/406858786.db2.gz CUQGQBDALOJFKG-QZTJIDSGSA-N 1 3 317.477 2.313 20 0 DEADHO CC1(C)[C@H]([NH3+])C[C@H]1NCCCc1nc(-c2ccccc2)no1 ZINC000641804946 406897013 /nfs/dbraw/zinc/89/70/13/406897013.db2.gz MHDATSBQHAHMOY-ZIAGYGMSSA-N 1 3 300.406 2.385 20 0 DEADHO CC(C)Cn1nccc1C[NH2+]CCCN1CCCO[C@H](C)C1 ZINC000647206050 406971976 /nfs/dbraw/zinc/97/19/76/406971976.db2.gz FLHUTRMENBGBBG-MRXNPFEDSA-N 1 3 308.470 2.130 20 0 DEADHO CC[C@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)CC[C@H]1[NH3+] ZINC000647009520 406940320 /nfs/dbraw/zinc/94/03/20/406940320.db2.gz FETPZSPSHJKAFT-FUHWJXTLSA-N 1 3 315.461 2.482 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000643537697 407012123 /nfs/dbraw/zinc/01/21/23/407012123.db2.gz OJOYHFCUIASPMH-UBDQQSCGSA-N 1 3 305.441 2.187 20 0 DEADHO C[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000643538683 407012251 /nfs/dbraw/zinc/01/22/51/407012251.db2.gz RPKAZPUXJGTKOT-RANZSIQMSA-N 1 3 305.441 2.187 20 0 DEADHO COCCc1nc(C)c([C@@H](C)N[C@H]2CC23CC[NH2+]CC3)s1 ZINC000643536363 407012491 /nfs/dbraw/zinc/01/24/91/407012491.db2.gz TXICQPBQIQUGAW-YPMHNXCESA-N 1 3 309.479 2.433 20 0 DEADHO COCCCn1nccc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543794 407017548 /nfs/dbraw/zinc/01/75/48/407017548.db2.gz SAYREQBPNCJKDY-IAGOWNOFSA-N 1 3 320.481 2.131 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccccc1CN1CCCC1=O ZINC000643460562 407003277 /nfs/dbraw/zinc/00/32/77/407003277.db2.gz JGEWBPDIEWUXLA-QAPCUYQASA-N 1 3 315.461 2.416 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCCN(Cc2ccc(OCCN(C)C)cc2)C1 ZINC000647496698 407007406 /nfs/dbraw/zinc/00/74/06/407007406.db2.gz BHMXWYDTJYBYSN-RDJZCZTQSA-N 1 3 305.466 2.186 20 0 DEADHO C[C@@H]([NH2+]CC1(N)CCCCCC1)c1cccc(-n2cnnn2)c1 ZINC000643498577 407008377 /nfs/dbraw/zinc/00/83/77/407008377.db2.gz DRWNETFUOXGCAQ-CQSZACIVSA-N 1 3 314.437 2.365 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1 ZINC000648055221 407110556 /nfs/dbraw/zinc/11/05/56/407110556.db2.gz UZZVNCYWBXBSAN-AEFFLSMTSA-N 1 3 304.434 2.238 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1 ZINC000648055221 407110558 /nfs/dbraw/zinc/11/05/58/407110558.db2.gz UZZVNCYWBXBSAN-AEFFLSMTSA-N 1 3 304.434 2.238 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC[C@@H]1CSc2ccccc2O1 ZINC000647800763 407053522 /nfs/dbraw/zinc/05/35/22/407053522.db2.gz KGVORFSIWHRCCK-LJISPDSOSA-N 1 3 322.474 2.272 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC[C@@H]1CSc2ccccc2O1 ZINC000647800763 407053523 /nfs/dbraw/zinc/05/35/23/407053523.db2.gz KGVORFSIWHRCCK-LJISPDSOSA-N 1 3 322.474 2.272 20 0 DEADHO C[C@@H](NC[C@@H](O)COCc1ccccc1)C(C)(C)C[NH+](C)C ZINC000644574208 407144665 /nfs/dbraw/zinc/14/46/65/407144665.db2.gz URQJXXABPFQCDG-NVXWUHKLSA-N 1 3 308.466 2.130 20 0 DEADHO CCc1cccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)c1 ZINC000644583781 407145885 /nfs/dbraw/zinc/14/58/85/407145885.db2.gz IKCVEVPNXNTTDY-FGTMMUONSA-N 1 3 320.477 2.451 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1[NH2+]CC1(C)C)c1ccccc1 ZINC000645183740 407243290 /nfs/dbraw/zinc/24/32/90/407243290.db2.gz QNXOQMCHJIABKN-HOTGVXAUSA-N 1 3 303.450 2.184 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H]1[NH2+]CC1(C)C)c1ccccc1 ZINC000645183739 407243431 /nfs/dbraw/zinc/24/34/31/407243431.db2.gz QNXOQMCHJIABKN-CVEARBPZSA-N 1 3 303.450 2.184 20 0 DEADHO CCCN(C(=O)NC1CCC(C[NH+](C)C)CC1)[C@@H]1CCN(C)C1 ZINC000645381109 407271722 /nfs/dbraw/zinc/27/17/22/407271722.db2.gz DJOIVKMMUZUTCT-OFLPRAFFSA-N 1 3 324.513 2.233 20 0 DEADHO CCCN(C(=O)NCC[C@@H](C)[NH+]1CCCCC1)[C@@H]1CCN(C)C1 ZINC000645427653 407277460 /nfs/dbraw/zinc/27/74/60/407277460.db2.gz MOTQERFBRGGYJM-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H]1[NH2+]CC1(C)C)c1ccsc1 ZINC000645485164 407284314 /nfs/dbraw/zinc/28/43/14/407284314.db2.gz HXXKTMOTHZWKGH-KGLIPLIRSA-N 1 3 309.479 2.245 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)NC/C=C/Cl ZINC001423075290 1173059095 /nfs/dbraw/zinc/05/90/95/1173059095.db2.gz FOHJIOKTXXXPLN-VKGGURKZSA-N 1 3 315.889 2.296 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)NC/C=C/Cl ZINC001423075290 1173059099 /nfs/dbraw/zinc/05/90/99/1173059099.db2.gz FOHJIOKTXXXPLN-VKGGURKZSA-N 1 3 315.889 2.296 20 0 DEADHO CC[C@@H]1C[C@@H](CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CCO1 ZINC000357003657 287282518 /nfs/dbraw/zinc/28/25/18/287282518.db2.gz ZQLARMLJKILJTN-GBESFXJTSA-N 1 3 323.525 2.294 20 0 DEADHO CC[C@@H]1C[C@@H](CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CCO1 ZINC000357003657 287282520 /nfs/dbraw/zinc/28/25/20/287282520.db2.gz ZQLARMLJKILJTN-GBESFXJTSA-N 1 3 323.525 2.294 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000291167467 222189518 /nfs/dbraw/zinc/18/95/18/222189518.db2.gz JPJNNQVRRWCNSD-SFHVURJKSA-N 1 3 317.477 2.387 20 0 DEADHO NC(=O)C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000297472756 227215509 /nfs/dbraw/zinc/21/55/09/227215509.db2.gz RHWNIQSSWURYDB-GOSISDBHSA-N 1 3 324.428 2.257 20 0 DEADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)N(C)C)cc1 ZINC000417317898 229008628 /nfs/dbraw/zinc/00/86/28/229008628.db2.gz XOFADRFNOJJOCU-PVAVHDDUSA-N 1 3 318.465 2.024 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)N(C)[C@H](C)C[NH3+])N2CCCC2)cc1 ZINC000417355057 229013693 /nfs/dbraw/zinc/01/36/93/229013693.db2.gz NCQCKEKILMMWEW-NVXWUHKLSA-N 1 3 318.465 2.121 20 0 DEADHO C[C@H]1C[C@H](NC(=O)NCCCC[NH3+])CCN1Cc1ccccc1 ZINC000417837428 229119854 /nfs/dbraw/zinc/11/98/54/229119854.db2.gz MKEKHOUHEDXELK-DOTOQJQBSA-N 1 3 318.465 2.078 20 0 DEADHO CN(C)C(=O)c1ccccc1CNCC[C@@H]1CCC[N@H+](C)C1 ZINC000418086528 229215509 /nfs/dbraw/zinc/21/55/09/229215509.db2.gz CXYPLAWWIFTPIH-HNNXBMFYSA-N 1 3 303.450 2.210 20 0 DEADHO CN(C)C(=O)c1ccccc1CNCC[C@@H]1CCC[N@@H+](C)C1 ZINC000418086528 229215514 /nfs/dbraw/zinc/21/55/14/229215514.db2.gz CXYPLAWWIFTPIH-HNNXBMFYSA-N 1 3 303.450 2.210 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@H](C)CC[NH3+])N(C)C ZINC000418176447 229255573 /nfs/dbraw/zinc/25/55/73/229255573.db2.gz HAJLBMBVAIPYNQ-FMKPAKJESA-N 1 3 306.454 2.023 20 0 DEADHO Clc1ccc(CN2CCN(CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000420294557 229638214 /nfs/dbraw/zinc/63/82/14/229638214.db2.gz BDSOCKGJIYYOBW-HNNXBMFYSA-N 1 3 307.869 2.457 20 0 DEADHO COCCN(C)CC[C@H](N[C@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000422718801 230177366 /nfs/dbraw/zinc/17/73/66/230177366.db2.gz QCATWKUAGREOAC-WDSOQIARSA-N 1 3 319.493 2.284 20 0 DEADHO CN(C)C(=O)C1(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CCCC1 ZINC000422729863 230181896 /nfs/dbraw/zinc/18/18/96/230181896.db2.gz LDLMWZMJVDVEKL-HRCADAONSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCc1nc(C(C)(C)C)cs1 ZINC000422736496 230183890 /nfs/dbraw/zinc/18/38/90/230183890.db2.gz GHCYWOCEQVAOKK-AVGNSLFASA-N 1 3 311.495 2.325 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCCn1ccc2ccccc21 ZINC000422755505 230193345 /nfs/dbraw/zinc/19/33/45/230193345.db2.gz ICRQROFYBYEDMP-XIRDDKMYSA-N 1 3 301.434 2.373 20 0 DEADHO COc1ccc(CN2CCC(C[NH2+][C@@H]3CCC[C@H]3N)CC2)cc1 ZINC000422789401 230209367 /nfs/dbraw/zinc/20/93/67/230209367.db2.gz WOBYGPXCUOBSQU-RTBURBONSA-N 1 3 317.477 2.377 20 0 DEADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](CO)Cc1c(F)cccc1Cl ZINC000422798173 230212942 /nfs/dbraw/zinc/21/29/42/230212942.db2.gz QALXBGHKEVFFON-WQGACYEGSA-N 1 3 314.832 2.347 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H](CO)Cc1c(F)cccc1Cl ZINC000422798173 230212947 /nfs/dbraw/zinc/21/29/47/230212947.db2.gz QALXBGHKEVFFON-WQGACYEGSA-N 1 3 314.832 2.347 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@@H]1NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000422858133 230245720 /nfs/dbraw/zinc/24/57/20/230245720.db2.gz IMONHOMYIUAWKO-DYVFJYSZSA-N 1 3 319.424 2.018 20 0 DEADHO O=C1CCCCN1CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000422864768 230248435 /nfs/dbraw/zinc/24/84/35/230248435.db2.gz VYTCFSCKMUAQAM-BRWVUGGUSA-N 1 3 307.482 2.289 20 0 DEADHO O=C1CCCCN1CCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422864768 230248441 /nfs/dbraw/zinc/24/84/41/230248441.db2.gz VYTCFSCKMUAQAM-BRWVUGGUSA-N 1 3 307.482 2.289 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cccc(N2CCCC2=O)c1 ZINC000422866052 230251104 /nfs/dbraw/zinc/25/11/04/230251104.db2.gz POTXIVIIMNMHBM-RDJZCZTQSA-N 1 3 301.434 2.421 20 0 DEADHO Cc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])c(N2CCOCC2)c1 ZINC000422869637 230253073 /nfs/dbraw/zinc/25/30/73/230253073.db2.gz WMXVHVOACISHJQ-FUHWJXTLSA-N 1 3 317.477 2.439 20 0 DEADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)COc1ccc(F)cc1 ZINC000422902419 230269055 /nfs/dbraw/zinc/26/90/55/230269055.db2.gz UTUFLHJDYMKPMU-VDHUWJSZSA-N 1 3 322.424 2.076 20 0 DEADHO C[C@@H]([NH3+])C[C@@H](C)NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000422936042 230285387 /nfs/dbraw/zinc/28/53/87/230285387.db2.gz HTQVJFRIHYMABU-HUUCEWRRSA-N 1 3 324.900 2.177 20 0 DEADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCc1cccc(C(N)=O)c1 ZINC000422949327 230290244 /nfs/dbraw/zinc/29/02/44/230290244.db2.gz VAFMWSQFOLMSHN-RHSMWYFYSA-N 1 3 303.450 2.228 20 0 DEADHO C[C@H](C[C@H](C)N)[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000422958017 230294364 /nfs/dbraw/zinc/29/43/64/230294364.db2.gz WOYRRVLIPVXMKQ-UONOGXRCSA-N 1 3 310.486 2.209 20 0 DEADHO C[C@@H](Nc1cccc(CN2CCC(CO)CC2)c1)[C@@H]1CCC[NH2+]1 ZINC000422975546 230300532 /nfs/dbraw/zinc/30/05/32/230300532.db2.gz BKBSKPDERMBAEP-BEFAXECRSA-N 1 3 317.477 2.443 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)[C@@H](O)Cc1ccccc1 ZINC000422992504 230307786 /nfs/dbraw/zinc/30/77/86/230307786.db2.gz CSRWVFMAPFZAPU-RFUYNDQBSA-N 1 3 313.445 2.491 20 0 DEADHO COc1cccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)c1 ZINC000423008265 230314439 /nfs/dbraw/zinc/31/44/39/230314439.db2.gz ZQMBKJCHKDQMBU-IAOVAPTHSA-N 1 3 306.450 2.315 20 0 DEADHO COc1cccc(C(C)(C)CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])c1 ZINC000423008265 230314442 /nfs/dbraw/zinc/31/44/42/230314442.db2.gz ZQMBKJCHKDQMBU-IAOVAPTHSA-N 1 3 306.450 2.315 20 0 DEADHO O[C@@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000423114352 230355082 /nfs/dbraw/zinc/35/50/82/230355082.db2.gz VHKUSNIDIPLOCL-AKHDSKFASA-N 1 3 302.462 2.490 20 0 DEADHO O=C1C[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)[C@H]2CCCCN12 ZINC000423115548 230357080 /nfs/dbraw/zinc/35/70/80/230357080.db2.gz NMDZBIOKGUROHM-OVYGPGRDSA-N 1 3 305.466 2.040 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193698590 424870193 /nfs/dbraw/zinc/87/01/93/424870193.db2.gz WNTWNBFPNSUCHM-OAHLLOKOSA-N 1 3 322.497 2.034 20 0 DEADHO CN(CCNC(=O)[C@@H]1C[NH2+]Cc2ccccc21)Cc1ccccc1 ZINC000386765912 424912599 /nfs/dbraw/zinc/91/25/99/424912599.db2.gz JKDKXPJACPQHCM-LJQANCHMSA-N 1 3 323.440 2.122 20 0 DEADHO Cc1ccc(OC[C@H](O)CN[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000388728651 424914444 /nfs/dbraw/zinc/91/44/44/424914444.db2.gz BDWJHXAVBWUYJI-IXDOHACOSA-N 1 3 306.450 2.115 20 0 DEADHO Cc1ccc(OC[C@H](O)CN[C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000388728651 424914445 /nfs/dbraw/zinc/91/44/45/424914445.db2.gz BDWJHXAVBWUYJI-IXDOHACOSA-N 1 3 306.450 2.115 20 0 DEADHO Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H](C)CN2CCCC2)c(C)c1 ZINC000390172739 424916992 /nfs/dbraw/zinc/91/69/92/424916992.db2.gz GCMCEQWSQQFYFW-WMZOPIPTSA-N 1 3 320.477 2.365 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CC1([NH3+])CCC1 ZINC000398109174 424922488 /nfs/dbraw/zinc/92/24/88/424922488.db2.gz CKAPIRURPICCRU-WBVHZDCISA-N 1 3 315.461 2.285 20 0 DEADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)CC(C)(C)[NH3+] ZINC000649377118 425004337 /nfs/dbraw/zinc/00/43/37/425004337.db2.gz PNWKQRNQEZGSOS-UHFFFAOYSA-N 1 3 318.465 2.274 20 0 DEADHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000415086172 424948851 /nfs/dbraw/zinc/94/88/51/424948851.db2.gz JHNBPUFCRPAKHX-PVAVHDDUSA-N 1 3 307.482 2.288 20 0 DEADHO CC(C)([NH3+])CCC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000649287968 424984328 /nfs/dbraw/zinc/98/43/28/424984328.db2.gz UTQNKUSSMOYIFI-UHFFFAOYSA-N 1 3 317.477 2.327 20 0 DEADHO C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCCC[C@H]1C ZINC000649293040 424986887 /nfs/dbraw/zinc/98/68/87/424986887.db2.gz XRJSNCQMWZCIIX-YQFWSFKMSA-N 1 3 307.482 2.001 20 0 DEADHO CC(C)([NH3+])CCC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000649293915 424987250 /nfs/dbraw/zinc/98/72/50/424987250.db2.gz REHJGTRKCWFGCR-MRXNPFEDSA-N 1 3 303.450 2.457 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000649363830 425001112 /nfs/dbraw/zinc/00/11/12/425001112.db2.gz PUKAXPGBYODJFN-IXDOHACOSA-N 1 3 307.482 2.099 20 0 DEADHO COc1ccc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1O ZINC000650705807 425038000 /nfs/dbraw/zinc/03/80/00/425038000.db2.gz WLRVXAOCFCKWOF-HDMKZQKVSA-N 1 3 320.433 2.119 20 0 DEADHO CCc1ncc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000650707777 425040296 /nfs/dbraw/zinc/04/02/96/425040296.db2.gz MXTGTOVDFZCPSF-GUTXKFCHSA-N 1 3 309.479 2.424 20 0 DEADHO Cn1c(=O)ccc2c1CCC[C@H]2N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000650724740 425042683 /nfs/dbraw/zinc/04/26/83/425042683.db2.gz LNWSYSNVOUQKSY-RKTXRCNFSA-N 1 3 315.461 2.273 20 0 DEADHO COc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1O ZINC000650721940 425043132 /nfs/dbraw/zinc/04/31/32/425043132.db2.gz GYLCRSFNAKUTFE-IIDMSEBBSA-N 1 3 320.433 2.262 20 0 DEADHO CCO[C@H]1C[C@@H](NCc2ccc(C[NH3+])cc2F)C12CCOCC2 ZINC000650754532 425047304 /nfs/dbraw/zinc/04/73/04/425047304.db2.gz LCRDOOBGXXZIHM-SJORKVTESA-N 1 3 322.424 2.348 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000666761316 425176852 /nfs/dbraw/zinc/17/68/52/425176852.db2.gz VVULNVWWMHSTAM-DLBZAZTESA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000666761316 425176856 /nfs/dbraw/zinc/17/68/56/425176856.db2.gz VVULNVWWMHSTAM-DLBZAZTESA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)NC(=O)CC[NH+]1CCC(NCc2ccccc2)CC1 ZINC000660680363 425204183 /nfs/dbraw/zinc/20/41/83/425204183.db2.gz XELRYVWPGWSGHG-UHFFFAOYSA-N 1 3 303.450 2.155 20 0 DEADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]Cc2cc3cnccc3o2)CC1 ZINC000651733473 425144953 /nfs/dbraw/zinc/14/49/53/425144953.db2.gz IKTLBTZPWUGYHX-SJORKVTESA-N 1 3 315.417 2.295 20 0 DEADHO CN1CCCN(CCC[NH2+]Cc2cccc3c2CCC3)CC1 ZINC000651953158 425153610 /nfs/dbraw/zinc/15/36/10/425153610.db2.gz UIQVLKOYSAOGMR-UHFFFAOYSA-N 1 3 301.478 2.293 20 0 DEADHO CC[N@H+](C)C[C@H](O)CN1CCCC[C@H]1Cc1ccc(OC)cc1 ZINC000653779295 425225527 /nfs/dbraw/zinc/22/55/27/425225527.db2.gz SXADNTGFCPAAIR-ROUUACIJSA-N 1 3 320.477 2.405 20 0 DEADHO CC[N@@H+](C)C[C@H](O)CN1CCCC[C@H]1Cc1ccc(OC)cc1 ZINC000653779295 425225529 /nfs/dbraw/zinc/22/55/29/425225529.db2.gz SXADNTGFCPAAIR-ROUUACIJSA-N 1 3 320.477 2.405 20 0 DEADHO NC[C@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1ccc(F)cc1)C2 ZINC000652351628 425244300 /nfs/dbraw/zinc/24/43/00/425244300.db2.gz MCGVIGDOMGUXON-GUYCJALGSA-N 1 3 305.397 2.215 20 0 DEADHO NC[C@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1ccc(F)cc1)C2 ZINC000652351628 425244303 /nfs/dbraw/zinc/24/43/03/425244303.db2.gz MCGVIGDOMGUXON-GUYCJALGSA-N 1 3 305.397 2.215 20 0 DEADHO CCN1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000660819030 425244793 /nfs/dbraw/zinc/24/47/93/425244793.db2.gz HEENDPCVZQXATG-MRXNPFEDSA-N 1 3 322.497 2.177 20 0 DEADHO CCN1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000660819030 425244795 /nfs/dbraw/zinc/24/47/95/425244795.db2.gz HEENDPCVZQXATG-MRXNPFEDSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000660826172 425247975 /nfs/dbraw/zinc/24/79/75/425247975.db2.gz XYFXCYKJPFLJPY-LSDHHAIUSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000660826172 425247979 /nfs/dbraw/zinc/24/79/79/425247979.db2.gz XYFXCYKJPFLJPY-LSDHHAIUSA-N 1 3 310.486 2.033 20 0 DEADHO CCN(CCC[NH2+][C@@H]1CCCS(=O)(=O)C1)C1CCCCC1 ZINC000652238243 425220575 /nfs/dbraw/zinc/22/05/75/425220575.db2.gz ZCTQVMINXKCEIE-OAHLLOKOSA-N 1 3 316.511 2.198 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1ccc(OC(F)F)cn1 ZINC000664196211 425329701 /nfs/dbraw/zinc/32/97/01/425329701.db2.gz HUFQYAQASTVCNP-LBPRGKRZSA-N 1 3 316.396 2.367 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1ccc(OC(F)F)cn1 ZINC000664196211 425329702 /nfs/dbraw/zinc/32/97/02/425329702.db2.gz HUFQYAQASTVCNP-LBPRGKRZSA-N 1 3 316.396 2.367 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1nc2c(cccc2F)n1C ZINC000664197098 425329924 /nfs/dbraw/zinc/32/99/24/425329924.db2.gz YZWVAESXRONQNZ-ZDUSSCGKSA-N 1 3 321.444 2.396 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1nc2c(cccc2F)n1C ZINC000664197098 425329928 /nfs/dbraw/zinc/32/99/28/425329928.db2.gz YZWVAESXRONQNZ-ZDUSSCGKSA-N 1 3 321.444 2.396 20 0 DEADHO CN1CC=C(C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000657428097 425330896 /nfs/dbraw/zinc/33/08/96/425330896.db2.gz YDAPKQLNPIBXMG-SFHVURJKSA-N 1 3 302.418 2.206 20 0 DEADHO CC[NH+](CC)CCCNC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654347002 425331518 /nfs/dbraw/zinc/33/15/18/425331518.db2.gz OLFQLHMDFTZUML-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000661370758 425392853 /nfs/dbraw/zinc/39/28/53/425392853.db2.gz TWIYBSKIWNCWIW-JYJNAYRXSA-N 1 3 322.497 2.175 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000661370758 425392858 /nfs/dbraw/zinc/39/28/58/425392858.db2.gz TWIYBSKIWNCWIW-JYJNAYRXSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CC2CCC1CC2 ZINC000664476542 425394193 /nfs/dbraw/zinc/39/41/93/425394193.db2.gz BGABQDBRBGHMMC-ZGRYLRDCSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CC2CCC1CC2 ZINC000664476542 425394195 /nfs/dbraw/zinc/39/41/95/425394195.db2.gz BGABQDBRBGHMMC-ZGRYLRDCSA-N 1 3 324.513 2.136 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCN2C(C)(C)C)C1 ZINC000661399486 425399001 /nfs/dbraw/zinc/39/90/01/425399001.db2.gz JLTMRBQMGRVVHH-HZPDHXFCSA-N 1 3 324.513 2.233 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCN2C(C)(C)C)C1 ZINC000661399486 425399004 /nfs/dbraw/zinc/39/90/04/425399004.db2.gz JLTMRBQMGRVVHH-HZPDHXFCSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000661405826 425400410 /nfs/dbraw/zinc/40/04/10/425400410.db2.gz HASKCUCWBAQOKE-KBPBESRZSA-N 1 3 310.486 2.031 20 0 DEADHO CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000661405826 425400412 /nfs/dbraw/zinc/40/04/12/425400412.db2.gz HASKCUCWBAQOKE-KBPBESRZSA-N 1 3 310.486 2.031 20 0 DEADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@H]1CCC[NH2+]CC1 ZINC000653106177 425405375 /nfs/dbraw/zinc/40/53/75/425405375.db2.gz WLRXQNLCTBNDSI-LSDHHAIUSA-N 1 3 321.490 2.391 20 0 DEADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)Cn1cncn1 ZINC000657825931 425406925 /nfs/dbraw/zinc/40/69/25/425406925.db2.gz GDEJXPIREZPCEY-HNNXBMFYSA-N 1 3 301.438 2.298 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000653112311 425407453 /nfs/dbraw/zinc/40/74/53/425407453.db2.gz UYIWHWJBIJZQTJ-IAGOWNOFSA-N 1 3 303.450 2.104 20 0 DEADHO OC[C@H]1[C@@H]2CN(Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@H]12 ZINC000664566479 425412566 /nfs/dbraw/zinc/41/25/66/425412566.db2.gz ZQGRMFUOZYGTEW-BWTSREIZSA-N 1 3 300.446 2.343 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000654481832 425364300 /nfs/dbraw/zinc/36/43/00/425364300.db2.gz PLGFNTDXQLEXLB-GJZGRUSLSA-N 1 3 322.497 2.127 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000654481832 425364304 /nfs/dbraw/zinc/36/43/04/425364304.db2.gz PLGFNTDXQLEXLB-GJZGRUSLSA-N 1 3 322.497 2.127 20 0 DEADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cc(F)c(F)c(F)c1 ZINC000657573624 425368024 /nfs/dbraw/zinc/36/80/24/425368024.db2.gz MUZKJWFESNGQBC-LBPRGKRZSA-N 1 3 317.399 2.466 20 0 DEADHO Cc1ncsc1CNCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657594699 425371530 /nfs/dbraw/zinc/37/15/30/425371530.db2.gz KLIDNBIVYOUGAT-INIZCTEOSA-N 1 3 317.458 2.308 20 0 DEADHO Cc1ncsc1CNCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657594699 425371534 /nfs/dbraw/zinc/37/15/34/425371534.db2.gz KLIDNBIVYOUGAT-INIZCTEOSA-N 1 3 317.458 2.308 20 0 DEADHO O[C@H]1CCN(Cc2ccc(C[NH2+]C[C@@H]3CCSC3)cc2)C1 ZINC000657594829 425371790 /nfs/dbraw/zinc/37/17/90/425371790.db2.gz CZCHRGXYIFMLIG-IRXDYDNUSA-N 1 3 306.475 2.096 20 0 DEADHO CCC[N@H+](C)CC(C)(C)NC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000664367113 425371935 /nfs/dbraw/zinc/37/19/35/425371935.db2.gz HBAKMMXQGAHTCD-KGLIPLIRSA-N 1 3 310.486 2.031 20 0 DEADHO CCC[N@@H+](C)CC(C)(C)NC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000664367113 425371937 /nfs/dbraw/zinc/37/19/37/425371937.db2.gz HBAKMMXQGAHTCD-KGLIPLIRSA-N 1 3 310.486 2.031 20 0 DEADHO Cc1cnccc1CNCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657597323 425374180 /nfs/dbraw/zinc/37/41/80/425374180.db2.gz UDKISUQYYSIRAS-LJQANCHMSA-N 1 3 311.429 2.246 20 0 DEADHO Cc1cnccc1CNCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657597323 425374184 /nfs/dbraw/zinc/37/41/84/425374184.db2.gz UDKISUQYYSIRAS-LJQANCHMSA-N 1 3 311.429 2.246 20 0 DEADHO Cc1ncc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)n1C ZINC000657613708 425377613 /nfs/dbraw/zinc/37/76/13/425377613.db2.gz PRRKHVQHWQISBS-UHFFFAOYSA-N 1 3 313.449 2.125 20 0 DEADHO CCC[N@H+](C)CC(C)(C)NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000664629244 425423959 /nfs/dbraw/zinc/42/39/59/425423959.db2.gz KAGQSXXTOKTZSM-AWEZNQCLSA-N 1 3 310.486 2.056 20 0 DEADHO CCC[N@@H+](C)CC(C)(C)NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000664629244 425423962 /nfs/dbraw/zinc/42/39/62/425423962.db2.gz KAGQSXXTOKTZSM-AWEZNQCLSA-N 1 3 310.486 2.056 20 0 DEADHO CN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654735735 425429087 /nfs/dbraw/zinc/42/90/87/425429087.db2.gz UGQLMCKUDYOYOA-IRXDYDNUSA-N 1 3 322.497 2.131 20 0 DEADHO C[NH2+]Cc1ccccc1CNC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000653210717 425434591 /nfs/dbraw/zinc/43/45/91/425434591.db2.gz GKHGJBFOSPSJIR-KBXCAEBGSA-N 1 3 311.429 2.358 20 0 DEADHO C[NH2+]CCc1ccccc1C(=O)N(C)CCN1CCCCC1 ZINC000653274472 425448407 /nfs/dbraw/zinc/44/84/07/425448407.db2.gz GUDVWSNGTUVPJB-UHFFFAOYSA-N 1 3 303.450 2.006 20 0 DEADHO c1ccc2c(CCN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)noc2c1 ZINC000665232500 425523409 /nfs/dbraw/zinc/52/34/09/425523409.db2.gz OCZNEILDWFKYCO-OWCLPIDISA-N 1 3 315.417 2.117 20 0 DEADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@@H]1CCCCN1 ZINC000665240944 425527633 /nfs/dbraw/zinc/52/76/33/425527633.db2.gz WICKYLRXTZHCNV-LPHOPBHVSA-N 1 3 316.493 2.414 20 0 DEADHO C[C@@H](NCC12CC(C1)C[NH2+]2)c1ccc(OCCN(C)C)cc1 ZINC000665278074 425533447 /nfs/dbraw/zinc/53/34/47/425533447.db2.gz URWQIVLEGKGCTA-KSTDHSDQSA-N 1 3 303.450 2.030 20 0 DEADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)[C@H](c1ccccc1)N1CCOCC1 ZINC000665280703 425535733 /nfs/dbraw/zinc/53/57/33/425535733.db2.gz JFIOMSMEAUUIRN-QXAKKESOSA-N 1 3 319.493 2.411 20 0 DEADHO C[NH+](C)CCCC(C)(C)NC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000665356145 425552097 /nfs/dbraw/zinc/55/20/97/425552097.db2.gz IOQMBYYEXALWOL-AWEZNQCLSA-N 1 3 312.502 2.279 20 0 DEADHO c1ccc([C@H](C[C@H]2CCOC2)[NH2+]C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662283463 425611796 /nfs/dbraw/zinc/61/17/96/425611796.db2.gz TZQQQEGTPXYNNQ-NXHRZFHOSA-N 1 3 316.445 2.265 20 0 DEADHO CC(C)(C)N1CC[C@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000665365639 425554007 /nfs/dbraw/zinc/55/40/07/425554007.db2.gz IJTGRTARWGMTSW-HOTGVXAUSA-N 1 3 322.497 2.129 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCN2C(C)(C)C)C[C@H]1C ZINC000665364131 425555150 /nfs/dbraw/zinc/55/51/50/425555150.db2.gz KIXKCLZISWIPGJ-PMPSAXMXSA-N 1 3 324.513 2.373 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCN2C(C)(C)C)C[C@H]1C ZINC000665364131 425555153 /nfs/dbraw/zinc/55/51/53/425555153.db2.gz KIXKCLZISWIPGJ-PMPSAXMXSA-N 1 3 324.513 2.373 20 0 DEADHO C[C@@H]1C[C@H](N(C)C(=O)C[C@H]2NCc3ccccc32)CC[N@@H+]1C ZINC000659264931 425563353 /nfs/dbraw/zinc/56/33/53/425563353.db2.gz WLJNKYVRKCDYLO-FRFSOERESA-N 1 3 301.434 2.162 20 0 DEADHO C[C@@H]1C[C@H](N(C)C(=O)C[C@H]2NCc3ccccc32)CC[N@H+]1C ZINC000659264931 425563356 /nfs/dbraw/zinc/56/33/56/425563356.db2.gz WLJNKYVRKCDYLO-FRFSOERESA-N 1 3 301.434 2.162 20 0 DEADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C[C@H]1NCc2ccccc21 ZINC000659318797 425575122 /nfs/dbraw/zinc/57/51/22/425575122.db2.gz HUBLHONVCSANOH-KBXCAEBGSA-N 1 3 315.461 2.410 20 0 DEADHO CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000665554038 425595924 /nfs/dbraw/zinc/59/59/24/425595924.db2.gz DUXYSMFVMNPPKO-OAHLLOKOSA-N 1 3 312.502 2.233 20 0 DEADHO CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CCN(C(C)(C)C)C2)CC1 ZINC000665556753 425596372 /nfs/dbraw/zinc/59/63/72/425596372.db2.gz CYMJTRDKUOFDCT-HNNXBMFYSA-N 1 3 324.513 2.375 20 0 DEADHO COc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662254157 425601743 /nfs/dbraw/zinc/60/17/43/425601743.db2.gz MOWBJUOVYIVWDR-IRXDYDNUSA-N 1 3 316.445 2.223 20 0 DEADHO COc1ccccc1C[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662254157 425601747 /nfs/dbraw/zinc/60/17/47/425601747.db2.gz MOWBJUOVYIVWDR-IRXDYDNUSA-N 1 3 316.445 2.223 20 0 DEADHO CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)C[C@H]1CCC2(CNC2)O1 ZINC000662254332 425602691 /nfs/dbraw/zinc/60/26/91/425602691.db2.gz HIRKOFUSJAOUAL-QZTJIDSGSA-N 1 3 318.461 2.027 20 0 DEADHO CC(C)[C@@H](CO)[N@H+](Cc1ccccc1)C[C@H]1CCC2(CNC2)O1 ZINC000662254332 425602696 /nfs/dbraw/zinc/60/26/96/425602696.db2.gz HIRKOFUSJAOUAL-QZTJIDSGSA-N 1 3 318.461 2.027 20 0 DEADHO CCC[N@H+](C[C@@H]1CCC2(CNC2)O1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000662255988 425604515 /nfs/dbraw/zinc/60/45/15/425604515.db2.gz HHDOZPXGTWVGMV-CAOSSQGBSA-N 1 3 308.466 2.033 20 0 DEADHO CCC[N@@H+](C[C@@H]1CCC2(CNC2)O1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000662255988 425604519 /nfs/dbraw/zinc/60/45/19/425604519.db2.gz HHDOZPXGTWVGMV-CAOSSQGBSA-N 1 3 308.466 2.033 20 0 DEADHO C[C@H](CCNC(=O)Nc1cccc(OCCN(C)C)c1)[NH+](C)C ZINC000665601882 425605476 /nfs/dbraw/zinc/60/54/76/425605476.db2.gz HBMONGZVBLIMPJ-CQSZACIVSA-N 1 3 322.453 2.089 20 0 DEADHO Cc1nn(-c2ccc(C)cc2)cc1CNCCOCC[NH+](C)C ZINC000655759921 425648117 /nfs/dbraw/zinc/64/81/17/425648117.db2.gz UGALWHPDIBLXIP-UHFFFAOYSA-N 1 3 316.449 2.157 20 0 DEADHO CC(C)[NH2+]CC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000662437016 425651908 /nfs/dbraw/zinc/65/19/08/425651908.db2.gz LUCZLBPIKHTYMN-UHFFFAOYSA-N 1 3 317.477 2.152 20 0 DEADHO C[NH+](C)CC1CCC(NC(=O)c2cc3c(s2)CCNC3)CC1 ZINC000662506796 425669375 /nfs/dbraw/zinc/66/93/75/425669375.db2.gz FTZUHFIUOBVWPK-UHFFFAOYSA-N 1 3 321.490 2.244 20 0 DEADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc2c1CNC2 ZINC000662526318 425673983 /nfs/dbraw/zinc/67/39/83/425673983.db2.gz CILGSBSVEFLGQT-CYBMUJFWSA-N 1 3 301.434 2.092 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)c2cccc3c2CNC3)CC1 ZINC000662523796 425674707 /nfs/dbraw/zinc/67/47/07/425674707.db2.gz FICNHUHSFSEPQW-UHFFFAOYSA-N 1 3 301.434 2.140 20 0 DEADHO CN(CCN(C)C1CC1)C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662538735 425677291 /nfs/dbraw/zinc/67/72/91/425677291.db2.gz RPICMXDDLNQYOC-MRXNPFEDSA-N 1 3 315.461 2.231 20 0 DEADHO CC1(C)CN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC[C@@H]1C(F)(F)F ZINC000662280897 425612416 /nfs/dbraw/zinc/61/24/16/425612416.db2.gz GXDCHGFPHISKEX-RYUDHWBXSA-N 1 3 306.372 2.418 20 0 DEADHO c1cc(CN2CCS[C@@H]3COCC[C@@H]32)c2c(c1)C[NH2+]CC2 ZINC000662283985 425614149 /nfs/dbraw/zinc/61/41/49/425614149.db2.gz DVPRDKINZAHGSJ-DLBZAZTESA-N 1 3 304.459 2.039 20 0 DEADHO CC(C)[C@H]([NH3+])CCNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000659491861 425615544 /nfs/dbraw/zinc/61/55/44/425615544.db2.gz DYNAWXLDSLSFGV-DJIMGWMZSA-N 1 3 320.481 2.350 20 0 DEADHO CC(C)N1CCC[C@H](N2CCC([C@H]3CCC[NH2+]C3)CC2)C1=O ZINC000662292568 425615731 /nfs/dbraw/zinc/61/57/31/425615731.db2.gz OCYCXXUPVFBSOW-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N1CCC[C@@H](N2CCC([C@H]3CCC[NH2+]C3)CC2)C1=O ZINC000662292566 425615911 /nfs/dbraw/zinc/61/59/11/425615911.db2.gz OCYCXXUPVFBSOW-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1CCCCN1C(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293237 425616351 /nfs/dbraw/zinc/61/63/51/425616351.db2.gz DSZZMFZFBMSAFG-NVXWUHKLSA-N 1 3 307.482 2.099 20 0 DEADHO CNC(=O)c1cccc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662298041 425617477 /nfs/dbraw/zinc/61/74/77/425617477.db2.gz UHCLTOOUUGXSGA-GOSISDBHSA-N 1 3 315.461 2.258 20 0 DEADHO C[C@@H]1CCCN(Cc2nc(-c3ccccn3)no2)[C@@H]1CCC[NH3+] ZINC000662313289 425621436 /nfs/dbraw/zinc/62/14/36/425621436.db2.gz JOWVSSQAXSCCHN-UKRRQHHQSA-N 1 3 315.421 2.471 20 0 DEADHO CN(C)C1(C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)CCCC1 ZINC000655682757 425627741 /nfs/dbraw/zinc/62/77/41/425627741.db2.gz JINUVFINJWMBFC-QGZVFWFLSA-N 1 3 309.498 2.094 20 0 DEADHO c1c(N2CCNCC2)n[nH]c1[C@H]1CCC[N@@H+](CCC2CCC2)C1 ZINC000662337643 425627836 /nfs/dbraw/zinc/62/78/36/425627836.db2.gz MLVMLWMOEYXNJS-INIZCTEOSA-N 1 3 317.481 2.189 20 0 DEADHO c1c(N2CCNCC2)n[nH]c1[C@H]1CCC[N@H+](CCC2CCC2)C1 ZINC000662337643 425627838 /nfs/dbraw/zinc/62/78/38/425627838.db2.gz MLVMLWMOEYXNJS-INIZCTEOSA-N 1 3 317.481 2.189 20 0 DEADHO C[C@@H]1CCCCN1CC[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000655691038 425629843 /nfs/dbraw/zinc/62/98/43/425629843.db2.gz NKHUPMKODPJBOF-SJLPKXTDSA-N 1 3 309.498 2.094 20 0 DEADHO O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CCN(C2CCCC2)CC1 ZINC000662377503 425636525 /nfs/dbraw/zinc/63/65/25/425636525.db2.gz ISGIZRKWRDUUAO-SFHVURJKSA-N 1 3 313.445 2.308 20 0 DEADHO CC(C)N1CCC[C@H](C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000655717059 425637580 /nfs/dbraw/zinc/63/75/80/425637580.db2.gz TWQUWYSSTFOBQP-IEBWSBKVSA-N 1 3 323.525 2.340 20 0 DEADHO CC[C@@H]1C[C@@H](C)CN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665759415 425640653 /nfs/dbraw/zinc/64/06/53/425640653.db2.gz FZZBAWHNNZWSBO-OWCLPIDISA-N 1 3 312.502 2.088 20 0 DEADHO CC[C@@H]1C[C@@H](C)CN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665759415 425640655 /nfs/dbraw/zinc/64/06/55/425640655.db2.gz FZZBAWHNNZWSBO-OWCLPIDISA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC2(CCC2)C[C@@H]1C ZINC000665763084 425641650 /nfs/dbraw/zinc/64/16/50/425641650.db2.gz YEWFRDHDYMGMMQ-HOTGVXAUSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC2(CCC2)C[C@@H]1C ZINC000665763084 425641655 /nfs/dbraw/zinc/64/16/55/425641655.db2.gz YEWFRDHDYMGMMQ-HOTGVXAUSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)CN(C(=O)c1cc(C(C)(C)N)no1)C1CC[NH+](C)CC1 ZINC000662789014 425735763 /nfs/dbraw/zinc/73/57/63/425735763.db2.gz ZDNWEBJLWMRCRG-UHFFFAOYSA-N 1 3 322.453 2.061 20 0 DEADHO CC(C)C[C@H](C[NH3+])CC(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000662577674 425684582 /nfs/dbraw/zinc/68/45/82/425684582.db2.gz YKGFBBXSOFYZSR-JLJPHGGASA-N 1 3 321.440 2.090 20 0 DEADHO CN(CCCNC(=O)[C@H]1[NH2+]CCC1(C)C)Cc1ccccc1 ZINC000662670717 425707168 /nfs/dbraw/zinc/70/71/68/425707168.db2.gz IFXQOROOXCOAFB-MRXNPFEDSA-N 1 3 303.450 2.013 20 0 DEADHO NC[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC000662667953 425707344 /nfs/dbraw/zinc/70/73/44/425707344.db2.gz FCOHGTLQGOAWJA-AEFFLSMTSA-N 1 3 315.461 2.252 20 0 DEADHO NC[C@H](C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000662667953 425707347 /nfs/dbraw/zinc/70/73/47/425707347.db2.gz FCOHGTLQGOAWJA-AEFFLSMTSA-N 1 3 315.461 2.252 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C1(NC2CC2)CCC1 ZINC000662683991 425711856 /nfs/dbraw/zinc/71/18/56/425711856.db2.gz VCWFTSQNKKUKCX-OAHLLOKOSA-N 1 3 307.482 2.432 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C1(NC2CC2)CCC1 ZINC000662683991 425711860 /nfs/dbraw/zinc/71/18/60/425711860.db2.gz VCWFTSQNKKUKCX-OAHLLOKOSA-N 1 3 307.482 2.432 20 0 DEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc3c2CNC3)[C@@H](C)C1 ZINC000662745332 425728634 /nfs/dbraw/zinc/72/86/34/425728634.db2.gz KLHYWFCGECDCTQ-SUMWQHHRSA-N 1 3 301.434 2.092 20 0 DEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc3c2CNC3)[C@@H](C)C1 ZINC000662745332 425728637 /nfs/dbraw/zinc/72/86/37/425728637.db2.gz KLHYWFCGECDCTQ-SUMWQHHRSA-N 1 3 301.434 2.092 20 0 DEADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662750216 425728905 /nfs/dbraw/zinc/72/89/05/425728905.db2.gz LEDZRHFVGMGFPW-KZNAEPCWSA-N 1 3 315.461 2.094 20 0 DEADHO CCN1CC[C@@H](N2CCC(CCC[NH+]3CCCC3)CC2)C1=O ZINC000660120825 425744933 /nfs/dbraw/zinc/74/49/33/425744933.db2.gz IYMSEANPTBOVDV-QGZVFWFLSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@H](CNC(=O)NC[C@H]1CCN1C(C)(C)C)[N@@H+]1CCCC[C@H]1C ZINC000660341910 425798212 /nfs/dbraw/zinc/79/82/12/425798212.db2.gz HFJJWIRGWHLPGH-BZUAXINKSA-N 1 3 324.513 2.421 20 0 DEADHO C[C@H](CNC(=O)NC[C@H]1CCN1C(C)(C)C)[N@H+]1CCCC[C@H]1C ZINC000660341910 425798214 /nfs/dbraw/zinc/79/82/14/425798214.db2.gz HFJJWIRGWHLPGH-BZUAXINKSA-N 1 3 324.513 2.421 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000660402478 425809155 /nfs/dbraw/zinc/80/91/55/425809155.db2.gz HGVOHSWKBKEURF-IRXDYDNUSA-N 1 3 324.513 2.425 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000660402478 425809157 /nfs/dbraw/zinc/80/91/57/425809157.db2.gz HGVOHSWKBKEURF-IRXDYDNUSA-N 1 3 324.513 2.425 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCN(C3CCOCC3)C[C@H]2C)C1 ZINC000660428288 425811959 /nfs/dbraw/zinc/81/19/59/425811959.db2.gz CCNSMXIPOCHQOB-FGTMMUONSA-N 1 3 323.525 2.149 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCN2CCN(C3CCOCC3)C[C@H]2C)C1 ZINC000660428288 425811962 /nfs/dbraw/zinc/81/19/62/425811962.db2.gz CCNSMXIPOCHQOB-FGTMMUONSA-N 1 3 323.525 2.149 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662843837 425747864 /nfs/dbraw/zinc/74/78/64/425747864.db2.gz VQQFYISYVISJSL-IAGOWNOFSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)N(C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000660195671 425763501 /nfs/dbraw/zinc/76/35/01/425763501.db2.gz AQJYJYTXRIJMQP-MAUKXSAKSA-N 1 3 316.449 2.224 20 0 DEADHO COc1cc2nccc(N3CC[C@H]4CC[NH2+][C@@H]4C3)c2cc1OC ZINC000663240606 425820719 /nfs/dbraw/zinc/82/07/19/425820719.db2.gz WMJCZEIOAZBKEX-IUODEOHRSA-N 1 3 313.401 2.440 20 0 DEADHO CCC[N@@H+]1CC[C@@H](CNCCC(=O)N(C)c2ccccc2)C1 ZINC000663358961 425831525 /nfs/dbraw/zinc/83/15/25/425831525.db2.gz BIPFBXDNNFTNOH-INIZCTEOSA-N 1 3 303.450 2.361 20 0 DEADHO CCC[N@H+]1CC[C@@H](CNCCC(=O)N(C)c2ccccc2)C1 ZINC000663358961 425831527 /nfs/dbraw/zinc/83/15/27/425831527.db2.gz BIPFBXDNNFTNOH-INIZCTEOSA-N 1 3 303.450 2.361 20 0 DEADHO CCCN1CC[C@@H](C[NH2+]CCC(=O)N(C)c2ccccc2)C1 ZINC000663358961 425831529 /nfs/dbraw/zinc/83/15/29/425831529.db2.gz BIPFBXDNNFTNOH-INIZCTEOSA-N 1 3 303.450 2.361 20 0 DEADHO CN(C(=O)CC[NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000663357097 425831755 /nfs/dbraw/zinc/83/17/55/425831755.db2.gz ANHYJEVXRFAJLR-HNNXBMFYSA-N 1 3 301.434 2.113 20 0 DEADHO CN(C(=O)CCNC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000663357097 425831757 /nfs/dbraw/zinc/83/17/57/425831757.db2.gz ANHYJEVXRFAJLR-HNNXBMFYSA-N 1 3 301.434 2.113 20 0 DEADHO CN(C(=O)CCNC[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000663357097 425831760 /nfs/dbraw/zinc/83/17/60/425831760.db2.gz ANHYJEVXRFAJLR-HNNXBMFYSA-N 1 3 301.434 2.113 20 0 DEADHO CCc1cc(NCCN2CCN(CC)CC2)c2ccccc2[nH+]1 ZINC000663400089 425835410 /nfs/dbraw/zinc/83/54/10/425835410.db2.gz YEOHVPFAMOOIPT-UHFFFAOYSA-N 1 3 312.461 2.269 20 0 DEADHO CCN(C(=O)NC[C@@H](c1ccccc1)N(C)C)[C@@H]1CC[N@H+](C)C1 ZINC000663417705 425837734 /nfs/dbraw/zinc/83/77/34/425837734.db2.gz XNKBRQHJSYORRZ-SJORKVTESA-N 1 3 318.465 2.025 20 0 DEADHO CCN(C(=O)NC[C@@H](c1ccccc1)N(C)C)[C@@H]1CC[N@@H+](C)C1 ZINC000663417705 425837735 /nfs/dbraw/zinc/83/77/35/425837735.db2.gz XNKBRQHJSYORRZ-SJORKVTESA-N 1 3 318.465 2.025 20 0 DEADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](N)C1CCC1 ZINC000399021987 269110691 /nfs/dbraw/zinc/11/06/91/269110691.db2.gz IFOSJTDLJFABFG-FUHWJXTLSA-N 1 3 315.461 2.094 20 0 DEADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](N)C1CCC1 ZINC000399021987 269110693 /nfs/dbraw/zinc/11/06/93/269110693.db2.gz IFOSJTDLJFABFG-FUHWJXTLSA-N 1 3 315.461 2.094 20 0 DEADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000514722164 269329051 /nfs/dbraw/zinc/32/90/51/269329051.db2.gz SUBVIEJIQJCSSV-UFBFGSQYSA-N 1 3 301.312 2.101 20 0 DEADHO C[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H]1CCCc2ccccc21 ZINC000514781964 269331236 /nfs/dbraw/zinc/33/12/36/269331236.db2.gz PZRHHFSGOPZEEG-MAUKXSAKSA-N 1 3 315.461 2.193 20 0 DEADHO C[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H]1CCCc2ccccc21 ZINC000514781964 269331237 /nfs/dbraw/zinc/33/12/37/269331237.db2.gz PZRHHFSGOPZEEG-MAUKXSAKSA-N 1 3 315.461 2.193 20 0 DEADHO C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1)C1=CCN(C)CC1 ZINC000517232097 269380199 /nfs/dbraw/zinc/38/01/99/269380199.db2.gz WAMZNLGCLNLLRD-BBRMVZONSA-N 1 3 324.852 2.320 20 0 DEADHO C(CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)O[C@H]1CCCCO1 ZINC000248850415 275393108 /nfs/dbraw/zinc/39/31/08/275393108.db2.gz WDMVRZXKYJQQEZ-JQHSSLGASA-N 1 3 308.466 2.478 20 0 DEADHO C(CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)O[C@H]1CCCCO1 ZINC000248850415 275393109 /nfs/dbraw/zinc/39/31/09/275393109.db2.gz WDMVRZXKYJQQEZ-JQHSSLGASA-N 1 3 308.466 2.478 20 0 DEADHO CC(C)[C@H](CO)CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423105399 275700834 /nfs/dbraw/zinc/70/08/34/275700834.db2.gz ILOMRVLJNYADDH-QILLFSRXSA-N 1 3 304.434 2.096 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000262557042 275749252 /nfs/dbraw/zinc/74/92/52/275749252.db2.gz ZLTAXISSDDBZTN-YESZJQIVSA-N 1 3 303.450 2.444 20 0 DEADHO CC1CC[NH+](CCCCNCc2cnc(N(C)C)n2C)CC1 ZINC000414293150 275938798 /nfs/dbraw/zinc/93/87/98/275938798.db2.gz VLQUGTUVXZZYQH-UHFFFAOYSA-N 1 3 307.486 2.088 20 0 DEADHO CC(CN1CCC[C@](C)(O)CC1)C[N@@H+]1CCC[C@](C)(O)CC1 ZINC000348392202 276093297 /nfs/dbraw/zinc/09/32/97/276093297.db2.gz APRBAHVYBNNIKT-ROUUACIJSA-N 1 3 312.498 2.096 20 0 DEADHO CC(CN1CCC[C@](C)(O)CC1)C[N@H+]1CCC[C@](C)(O)CC1 ZINC000348392202 276093298 /nfs/dbraw/zinc/09/32/98/276093298.db2.gz APRBAHVYBNNIKT-ROUUACIJSA-N 1 3 312.498 2.096 20 0 DEADHO CCN1CC[C@@H]([NH2+]Cc2cccc(C(=O)N(C)C)c2)[C@H](C)C1 ZINC000347215525 276216902 /nfs/dbraw/zinc/21/69/02/276216902.db2.gz YGPSAMHDMDOSNI-RHSMWYFYSA-N 1 3 303.450 2.208 20 0 DEADHO CCO[C@@H]1C[C@@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)C12CCC2 ZINC000181775568 276344304 /nfs/dbraw/zinc/34/43/04/276344304.db2.gz YSHBEHYTIYWEKY-CGTJXYLNSA-N 1 3 322.493 2.425 20 0 DEADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C2CCCC2)CC1 ZINC000111883013 276363071 /nfs/dbraw/zinc/36/30/71/276363071.db2.gz YRBCFDFIHPADPW-QGZVFWFLSA-N 1 3 322.497 2.131 20 0 DEADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C2CCCC2)CC1 ZINC000111883013 276363073 /nfs/dbraw/zinc/36/30/73/276363073.db2.gz YRBCFDFIHPADPW-QGZVFWFLSA-N 1 3 322.497 2.131 20 0 DEADHO CCN1CCO[C@@H](CN[C@H](C)C[C@@H](C)[NH3+])[C@@H]1c1ccccc1 ZINC000423100333 276391020 /nfs/dbraw/zinc/39/10/20/276391020.db2.gz GREFQMRWZQPTCI-LMSBXDPUSA-N 1 3 305.466 2.164 20 0 DEADHO CCS(=O)(=O)c1c(Cl)cccc1CN[C@H](C)CCC[NH3+] ZINC000415017128 276506990 /nfs/dbraw/zinc/50/69/90/276506990.db2.gz DXRUNOLORWWWNV-LLVKDONJSA-N 1 3 318.870 2.351 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000377739429 277140467 /nfs/dbraw/zinc/14/04/67/277140467.db2.gz BATOYLASVBSKCB-DLBZAZTESA-N 1 3 321.509 2.203 20 0 DEADHO CC(C)(C[C@@H]1CCCN([C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1)C(N)=O ZINC000453286812 277305019 /nfs/dbraw/zinc/30/50/19/277305019.db2.gz RHNZJROUFFEOSP-ARFHVFGLSA-N 1 3 307.482 2.227 20 0 DEADHO CC(C)(C[C@@H]1CCCN([C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1)C(N)=O ZINC000453286812 277305020 /nfs/dbraw/zinc/30/50/20/277305020.db2.gz RHNZJROUFFEOSP-ARFHVFGLSA-N 1 3 307.482 2.227 20 0 DEADHO CC(C)(C[C@@H]1CCC[N@@H+]([C@@H]2CCN3CCC[C@@H]3C2)C1)C(N)=O ZINC000453286812 277305021 /nfs/dbraw/zinc/30/50/21/277305021.db2.gz RHNZJROUFFEOSP-ARFHVFGLSA-N 1 3 307.482 2.227 20 0 DEADHO CC(C)(C[C@@H]1CCC[N@H+]([C@@H]2CCN3CCC[C@@H]3C2)C1)C(N)=O ZINC000453286812 277305022 /nfs/dbraw/zinc/30/50/22/277305022.db2.gz RHNZJROUFFEOSP-ARFHVFGLSA-N 1 3 307.482 2.227 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)N1CCCCC1 ZINC000343630483 277861292 /nfs/dbraw/zinc/86/12/92/277861292.db2.gz UGVVHRKCVIBEDH-AEFFLSMTSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C23CCCN2CCC3)C1 ZINC000377633754 278002908 /nfs/dbraw/zinc/00/29/08/278002908.db2.gz LJBMDQBDFFKQIM-IYBDPMFKSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C23CCCN2CCC3)C1 ZINC000377633754 278002909 /nfs/dbraw/zinc/00/29/09/278002909.db2.gz LJBMDQBDFFKQIM-IYBDPMFKSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)N(C)C1CC1 ZINC000361512021 278281038 /nfs/dbraw/zinc/28/10/38/278281038.db2.gz WOCZWKOCVFRVOJ-GJZGRUSLSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)N(C)C1CC1 ZINC000361512021 278281041 /nfs/dbraw/zinc/28/10/41/278281041.db2.gz WOCZWKOCVFRVOJ-GJZGRUSLSA-N 1 3 307.482 2.240 20 0 DEADHO CC1(C)C[C@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)C(C)(C)O1 ZINC000133112772 278388018 /nfs/dbraw/zinc/38/80/18/278388018.db2.gz AGCBRBZDAGFWKO-ZBFHGGJFSA-N 1 3 310.482 2.423 20 0 DEADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000277398508 278453566 /nfs/dbraw/zinc/45/35/66/278453566.db2.gz DQUSMFZVTAFHAW-MAUKXSAKSA-N 1 3 315.461 2.013 20 0 DEADHO CC[C@H](N[C@H](C)C1C[NH2+]C1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000423012412 288076494 /nfs/dbraw/zinc/07/64/94/288076494.db2.gz KUTCRPLKJATEOQ-JLSDUUJJSA-N 1 3 313.449 2.152 20 0 DEADHO CC[C@H]([NH2+][C@H](C)C1CNC1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000423012412 288076496 /nfs/dbraw/zinc/07/64/96/288076496.db2.gz KUTCRPLKJATEOQ-JLSDUUJJSA-N 1 3 313.449 2.152 20 0 DEADHO CCC[NH2+]CCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000416844054 278840570 /nfs/dbraw/zinc/84/05/70/278840570.db2.gz PLFFQCIXGUEOJY-CQSZACIVSA-N 1 3 324.494 2.184 20 0 DEADHO CCN1CCCN(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000428704850 279286676 /nfs/dbraw/zinc/28/66/76/279286676.db2.gz ZZTUGEDKUHXUKT-BRWVUGGUSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000343782152 288122446 /nfs/dbraw/zinc/12/24/46/288122446.db2.gz CFHDHFYQAZMJMW-VKJFTORMSA-N 1 3 319.493 2.240 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000343782152 288122450 /nfs/dbraw/zinc/12/24/50/288122450.db2.gz CFHDHFYQAZMJMW-VKJFTORMSA-N 1 3 319.493 2.240 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CC=CCC1 ZINC000346616298 279329066 /nfs/dbraw/zinc/32/90/66/279329066.db2.gz FGFVLIXHVBJEAD-SJORKVTESA-N 1 3 307.482 2.217 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CC=CCC1 ZINC000346616298 279329068 /nfs/dbraw/zinc/32/90/68/279329068.db2.gz FGFVLIXHVBJEAD-SJORKVTESA-N 1 3 307.482 2.217 20 0 DEADHO C[C@H]([NH3+])C1CCN([C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000430932345 279394419 /nfs/dbraw/zinc/39/44/19/279394419.db2.gz FEGLJQZSEMOTNQ-WMLDXEAASA-N 1 3 301.434 2.241 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C[C@@H](C)O1 ZINC000194007303 288161543 /nfs/dbraw/zinc/16/15/43/288161543.db2.gz WJNAAGUFLFJPPL-DUQPFJRNSA-N 1 3 322.493 2.423 20 0 DEADHO C[C@]1(C[NH3+])CCN(CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000261905762 280154075 /nfs/dbraw/zinc/15/40/75/280154075.db2.gz XAGGYSUYZNGSIT-PKOBYXMFSA-N 1 3 315.461 2.241 20 0 DEADHO C[C@]1(CN)CC[N@H+](CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000261905762 280154077 /nfs/dbraw/zinc/15/40/77/280154077.db2.gz XAGGYSUYZNGSIT-PKOBYXMFSA-N 1 3 315.461 2.241 20 0 DEADHO C[C@]1(CN)CC[N@@H+](CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000261905762 280154080 /nfs/dbraw/zinc/15/40/80/280154080.db2.gz XAGGYSUYZNGSIT-PKOBYXMFSA-N 1 3 315.461 2.241 20 0 DEADHO CC(C)[C@H](CNC(=O)N1CCNC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC000417013512 280243579 /nfs/dbraw/zinc/24/35/79/280243579.db2.gz YPISIYJFRGGVIO-INIZCTEOSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)[C@H](CNC(=O)[C@@H](C)[C@H](C)[NH3+])N1CCc2ccccc2C1 ZINC000493768707 280249490 /nfs/dbraw/zinc/24/94/90/280249490.db2.gz PSKOGHOTLHCPNV-MPGHIAIKSA-N 1 3 317.477 2.169 20 0 DEADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000418120768 280279764 /nfs/dbraw/zinc/27/97/64/280279764.db2.gz WDIMGTMSHFVRRO-JKSUJKDBSA-N 1 3 310.486 2.018 20 0 DEADHO CC[C@@H]1OCC[C@H]1N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423170691 280584812 /nfs/dbraw/zinc/58/48/12/280584812.db2.gz MRWHYFVJLXSHJE-MUQADHOPSA-N 1 3 302.418 2.399 20 0 DEADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCCN2CCCCC2)C1 ZINC000078988592 281585478 /nfs/dbraw/zinc/58/54/78/281585478.db2.gz INFPUIFPPOKEEJ-IRXDYDNUSA-N 1 3 324.513 2.140 20 0 DEADHO CN1CC[C@H]2CCN(C(=O)NCC[NH2+]C3CCCCCC3)[C@@H]2C1 ZINC000418457137 290229888 /nfs/dbraw/zinc/22/98/88/290229888.db2.gz GORWNNUTBMWLMV-DOTOQJQBSA-N 1 3 322.497 2.034 20 0 DEADHO COc1ccc([C@@H](C)C[N@@H+]2C[C@@H](CN)C3(C2)CCOCC3)cc1 ZINC000414772282 295205285 /nfs/dbraw/zinc/20/52/85/295205285.db2.gz BQUKHNGWFLZZJJ-DOTOQJQBSA-N 1 3 318.461 2.486 20 0 DEADHO COc1ccc([C@@H](C)C[N@H+]2C[C@@H](CN)C3(C2)CCOCC3)cc1 ZINC000414772282 295205286 /nfs/dbraw/zinc/20/52/86/295205286.db2.gz BQUKHNGWFLZZJJ-DOTOQJQBSA-N 1 3 318.461 2.486 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2cccs2)C1 ZINC000414674265 295216114 /nfs/dbraw/zinc/21/61/14/295216114.db2.gz DLCZXKJZIAAANW-UONOGXRCSA-N 1 3 307.463 2.082 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2cccs2)C1 ZINC000414674265 295216115 /nfs/dbraw/zinc/21/61/15/295216115.db2.gz DLCZXKJZIAAANW-UONOGXRCSA-N 1 3 307.463 2.082 20 0 DEADHO COc1ccc([C@H](CN2CCCC2)NC(=O)CC[C@H](C)[NH3+])cc1 ZINC000423892938 295241362 /nfs/dbraw/zinc/24/13/62/295241362.db2.gz KRPHKLCRAZAXDI-YOEHRIQHSA-N 1 3 319.449 2.076 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC2CCN(C)CC2)C1 ZINC000071923107 297357725 /nfs/dbraw/zinc/35/77/25/297357725.db2.gz MPECKXVDQNSMFG-IYBDPMFKSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC2CCN(C)CC2)C1 ZINC000071923107 297357730 /nfs/dbraw/zinc/35/77/30/297357730.db2.gz MPECKXVDQNSMFG-IYBDPMFKSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1)C1C[NH2+]C1 ZINC000262440183 298158666 /nfs/dbraw/zinc/15/86/66/298158666.db2.gz UUVAVRAHKDJYBI-XEZPLFJOSA-N 1 3 321.490 2.103 20 0 DEADHO C[C@H](CC(=O)NC[C@H](C)N1CCCC[C@@H]1C)C1CC[NH2+]CC1 ZINC000430746127 298302854 /nfs/dbraw/zinc/30/28/54/298302854.db2.gz BGNXTRVBBWEVLN-PMPSAXMXSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000350521042 298565075 /nfs/dbraw/zinc/56/50/75/298565075.db2.gz VUCWODMBPNCGNA-ZACQAIPSSA-N 1 3 322.497 2.129 20 0 DEADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000458758075 302138485 /nfs/dbraw/zinc/13/84/85/302138485.db2.gz FMXPGXCWAGOVIR-YQQAZPJKSA-N 1 3 320.481 2.236 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@@H](C[NH3+])C1CC1)N(C)C ZINC000418176014 302201452 /nfs/dbraw/zinc/20/14/52/302201452.db2.gz GQJOQBNXGKAZGI-COXVUDFISA-N 1 3 318.465 2.023 20 0 DEADHO Fc1cccc(F)c1CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422697156 303134369 /nfs/dbraw/zinc/13/43/69/303134369.db2.gz UBPIKWGEOQRIPQ-IAOVAPTHSA-N 1 3 310.388 2.254 20 0 DEADHO NCCC[N@H+](CCC(=O)Nc1cccnc1)CC1CCCC1 ZINC000352519402 303377242 /nfs/dbraw/zinc/37/72/42/303377242.db2.gz OJVPBODPJHIOOB-UHFFFAOYSA-N 1 3 304.438 2.251 20 0 DEADHO NCCC[N@@H+](CCC(=O)Nc1cccnc1)CC1CCCC1 ZINC000352519402 303377243 /nfs/dbraw/zinc/37/72/43/303377243.db2.gz OJVPBODPJHIOOB-UHFFFAOYSA-N 1 3 304.438 2.251 20 0 DEADHO [NH3+]CCCN(CCC(=O)Nc1cccnc1)CC1CCCC1 ZINC000352519402 303377245 /nfs/dbraw/zinc/37/72/45/303377245.db2.gz OJVPBODPJHIOOB-UHFFFAOYSA-N 1 3 304.438 2.251 20 0 DEADHO C[C@H](NC1CCN(C(=O)NC2CCCCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000567647162 325835154 /nfs/dbraw/zinc/83/51/54/325835154.db2.gz WVRATQCAPUZAEL-LSDHHAIUSA-N 1 3 322.497 2.081 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](NCCOc2ccc(C(F)(F)F)cn2)C1 ZINC000573020894 326012995 /nfs/dbraw/zinc/01/29/95/326012995.db2.gz YYNNSRRWYXGROE-NEPJUHHUSA-N 1 3 303.328 2.339 20 0 DEADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000573562151 326069395 /nfs/dbraw/zinc/06/93/95/326069395.db2.gz NVCHAOSKBYKRAI-HUUCEWRRSA-N 1 3 320.481 2.322 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H]1CC[NH2+][C@H]1C)c1ccsc1 ZINC000573601463 326073835 /nfs/dbraw/zinc/07/38/35/326073835.db2.gz IUFGXLTVJJTOPH-AEGPPILISA-N 1 3 309.479 2.245 20 0 DEADHO [NH3+][C@H]1CCC[C@@H](NCc2cccc(CN3CCCC3=O)c2)C1 ZINC000573981038 326111726 /nfs/dbraw/zinc/11/17/26/326111726.db2.gz ICNARVSBGIKJAX-DLBZAZTESA-N 1 3 301.434 2.169 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000575879309 326253383 /nfs/dbraw/zinc/25/33/83/326253383.db2.gz PWJHKTQWOKRLRW-GOSISDBHSA-N 1 3 317.477 2.395 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)CN[C@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000576389731 326289877 /nfs/dbraw/zinc/28/98/77/326289877.db2.gz AMXRUFBHLFCADW-RYQLBKOJSA-N 1 3 320.477 2.424 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC000576389731 326289879 /nfs/dbraw/zinc/28/98/79/326289879.db2.gz AMXRUFBHLFCADW-RYQLBKOJSA-N 1 3 320.477 2.424 20 0 DEADHO N[C@H]1CCC[C@@H]([NH2+]C2CCN(C(=O)NC3CCCCC3)CC2)C1 ZINC000576478799 326297230 /nfs/dbraw/zinc/29/72/30/326297230.db2.gz CGMVCPBMIFSPIS-WMLDXEAASA-N 1 3 322.497 2.353 20 0 DEADHO N[C@H]1CCC[C@H]([NH2+]C2CCN(C(=O)NC3CCCCC3)CC2)C1 ZINC000576478800 326297380 /nfs/dbraw/zinc/29/73/80/326297380.db2.gz CGMVCPBMIFSPIS-YOEHRIQHSA-N 1 3 322.497 2.353 20 0 DEADHO C[C@H]1COCCN1C1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000576955040 326332537 /nfs/dbraw/zinc/33/25/37/326332537.db2.gz VZHKVQFQTDOFNL-DLBZAZTESA-N 1 3 309.498 2.046 20 0 DEADHO C[C@H]1COCCN1C1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000576955040 326332539 /nfs/dbraw/zinc/33/25/39/326332539.db2.gz VZHKVQFQTDOFNL-DLBZAZTESA-N 1 3 309.498 2.046 20 0 DEADHO C[C@H]1COCCN1C1CC[NH+](CC[C@H]2CCCCN2C)CC1 ZINC000576955040 326332540 /nfs/dbraw/zinc/33/25/40/326332540.db2.gz VZHKVQFQTDOFNL-DLBZAZTESA-N 1 3 309.498 2.046 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000583379659 332374276 /nfs/dbraw/zinc/37/42/76/332374276.db2.gz JYNQMNWQCWVDJR-LSDHHAIUSA-N 1 3 320.481 2.406 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000583379658 332374363 /nfs/dbraw/zinc/37/43/63/332374363.db2.gz JYNQMNWQCWVDJR-HUUCEWRRSA-N 1 3 320.481 2.406 20 0 DEADHO Cc1ccccc1CCNC(=O)[C@@H](C)N1CCC(CC[NH3+])CC1 ZINC000583569837 335734355 /nfs/dbraw/zinc/73/43/55/335734355.db2.gz PDSZHIZOFSMPHB-MRXNPFEDSA-N 1 3 317.477 2.103 20 0 DEADHO NC[C@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000582719667 337124868 /nfs/dbraw/zinc/12/48/68/337124868.db2.gz BCBQDQAJJVFYLN-TUVASFSCSA-N 1 3 320.437 2.274 20 0 DEADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CNCc2ccccc21 ZINC000584466551 337347076 /nfs/dbraw/zinc/34/70/76/337347076.db2.gz BDONUPXFWASECX-RKVPGOIHSA-N 1 3 315.461 2.110 20 0 DEADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CNCc2ccccc21 ZINC000584466551 337347077 /nfs/dbraw/zinc/34/70/77/337347077.db2.gz BDONUPXFWASECX-RKVPGOIHSA-N 1 3 315.461 2.110 20 0 DEADHO CC1=CCC[C@H](C)[C@H]1C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000191058888 337398825 /nfs/dbraw/zinc/39/88/25/337398825.db2.gz RBZTVMLOVFOBNB-WMZOPIPTSA-N 1 3 321.509 2.369 20 0 DEADHO CCCN(C)CC(=O)N1CCC(C[N@H+](C)CC[C@@H](C)F)CC1 ZINC001377787560 1160824461 /nfs/dbraw/zinc/82/44/61/1160824461.db2.gz GNGFPCFSKPWFBX-OAHLLOKOSA-N 1 3 315.477 2.247 20 0 DEADHO CCCN(C)CC(=O)N1CCC(C[N@@H+](C)CC[C@@H](C)F)CC1 ZINC001377787560 1160824464 /nfs/dbraw/zinc/82/44/64/1160824464.db2.gz GNGFPCFSKPWFBX-OAHLLOKOSA-N 1 3 315.477 2.247 20 0 DEADHO CC(C)C[NH+]1CCC([C@@H](C)NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001369558398 1149037916 /nfs/dbraw/zinc/03/79/16/1149037916.db2.gz CQLSXTHBBVDSNB-JKSUJKDBSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)c2ccccc2CN(C)C)CC[N@@H+]1CCCF ZINC001089060386 782142091 /nfs/dbraw/zinc/14/20/91/782142091.db2.gz IVQBDRFUMYTJFZ-PBHICJAKSA-N 1 3 321.440 2.300 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)c2ccccc2CN(C)C)CC[N@H+]1CCCF ZINC001089060386 782142093 /nfs/dbraw/zinc/14/20/93/782142093.db2.gz IVQBDRFUMYTJFZ-PBHICJAKSA-N 1 3 321.440 2.300 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)NCC(C)(C)[NH3+])c1ccccc1 ZINC000417699696 533783762 /nfs/dbraw/zinc/78/37/62/533783762.db2.gz HUNUBDAFUHDUSJ-ZDUSSCGKSA-N 1 3 306.454 2.152 20 0 DEADHO C[C@H]([NH2+]C1CC1)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000295929714 533794375 /nfs/dbraw/zinc/79/43/75/533794375.db2.gz FNCMTJWXGURODH-HNNXBMFYSA-N 1 3 315.461 2.250 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCC2CC2)C1 ZINC001401300775 1161920180 /nfs/dbraw/zinc/92/01/80/1161920180.db2.gz YWEDTFZLOUPCQM-RDJZCZTQSA-N 1 3 309.498 2.343 20 0 DEADHO COc1cc(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])c2ccccc2n1 ZINC000423011126 533900202 /nfs/dbraw/zinc/90/02/02/533900202.db2.gz ZBURJYLUEZTETE-DAXOMENPSA-N 1 3 315.417 2.085 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCNC(=O)c1ccccc1Cl ZINC000422958365 534069360 /nfs/dbraw/zinc/06/93/60/534069360.db2.gz XKWWBUHYAZTKOD-DOMZBBRYSA-N 1 3 309.841 2.048 20 0 DEADHO C[C@@H]1CCNC[C@H]1[NH2+]C[C@@H]1CSCCN1Cc1ccccc1 ZINC000423073773 534102239 /nfs/dbraw/zinc/10/22/39/534102239.db2.gz JRVHWPALNDGAFM-KBAYOESNSA-N 1 3 319.518 2.192 20 0 DEADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+][C@H]1CCc2ccccc21 ZINC001378841551 1152464216 /nfs/dbraw/zinc/46/42/16/1152464216.db2.gz JTDWWLDEHAGCQQ-QAPCUYQASA-N 1 3 317.477 2.452 20 0 DEADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000422960948 534180718 /nfs/dbraw/zinc/18/07/18/534180718.db2.gz AFTBBTBZMRPXTM-UAGQMJEPSA-N 1 3 301.434 2.430 20 0 DEADHO C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC[C@H](CC[NH3+])C1 ZINC000443076438 534291994 /nfs/dbraw/zinc/29/19/94/534291994.db2.gz SCELKLGAWRLQMU-NVXWUHKLSA-N 1 3 303.450 2.094 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000105100492 519676154 /nfs/dbraw/zinc/67/61/54/519676154.db2.gz MGAINZKWVNVVOQ-HNNXBMFYSA-N 1 3 322.497 2.033 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000105100492 519676156 /nfs/dbraw/zinc/67/61/56/519676156.db2.gz MGAINZKWVNVVOQ-HNNXBMFYSA-N 1 3 322.497 2.033 20 0 DEADHO CCC[N@@H+]1CC[C@H](CNC(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000338278714 519862717 /nfs/dbraw/zinc/86/27/17/519862717.db2.gz GLGOPRYHIMSAPW-MRXNPFEDSA-N 1 3 324.513 2.282 20 0 DEADHO CCC[N@H+]1CC[C@H](CNC(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000338278714 519862718 /nfs/dbraw/zinc/86/27/18/519862718.db2.gz GLGOPRYHIMSAPW-MRXNPFEDSA-N 1 3 324.513 2.282 20 0 DEADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000338472478 520718235 /nfs/dbraw/zinc/71/82/35/520718235.db2.gz YPGAGPAKFAQSNM-CVEARBPZSA-N 1 3 312.502 2.136 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NCCC[NH2+]C1CCCCC1 ZINC000111882865 521594092 /nfs/dbraw/zinc/59/40/92/521594092.db2.gz WGXUUMYLRDJFKV-QGZVFWFLSA-N 1 3 324.513 2.472 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001402013245 1162216548 /nfs/dbraw/zinc/21/65/48/1162216548.db2.gz JZUAFWPMWRJXBK-GOSISDBHSA-N 1 3 307.482 2.053 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001402013245 1162216551 /nfs/dbraw/zinc/21/65/51/1162216551.db2.gz JZUAFWPMWRJXBK-GOSISDBHSA-N 1 3 307.482 2.053 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]CCCn2ccnc2C)[C@@H](C)C1 ZINC000338009028 521707262 /nfs/dbraw/zinc/70/72/62/521707262.db2.gz AXCKZSYWBWGHNR-FUHWJXTLSA-N 1 3 322.497 2.308 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)NCCC[NH+]2CCCC2)cc1 ZINC000339345456 521906248 /nfs/dbraw/zinc/90/62/48/521906248.db2.gz HPHKTTKVMDHEPR-UHFFFAOYSA-N 1 3 318.465 2.033 20 0 DEADHO CN1CCC[C@@H]1CNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000111841735 523826926 /nfs/dbraw/zinc/82/69/26/523826926.db2.gz BYQMOKOIKHWJDV-MRXNPFEDSA-N 1 3 310.486 2.036 20 0 DEADHO CCc1cc(OC)ccc1CNC1CC[NH+](CCOC)CC1 ZINC000337340265 523837706 /nfs/dbraw/zinc/83/77/06/523837706.db2.gz PGUWUWFVFYXREY-UHFFFAOYSA-N 1 3 306.450 2.458 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@@H](CC)N(C)C)[NH+](C)C)cc1 ZINC000124588661 524048735 /nfs/dbraw/zinc/04/87/35/524048735.db2.gz WZXKRROOSTVCCJ-SJORKVTESA-N 1 3 305.466 2.308 20 0 DEADHO C[C@@H]1CCC[C@@](CNC(=O)N(C)CCN2CCCC2)([NH+](C)C)C1 ZINC000112745377 524339337 /nfs/dbraw/zinc/33/93/37/524339337.db2.gz DPDSMXJLQWVRIP-SJLPKXTDSA-N 1 3 324.513 2.234 20 0 DEADHO Cc1cccc(CN2CCCC[C@@H]2C(=O)N2CCC([NH3+])CC2)c1 ZINC000364888722 524389731 /nfs/dbraw/zinc/38/97/31/524389731.db2.gz OLDZNIIBMNTWKE-GOSISDBHSA-N 1 3 315.461 2.299 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CN1Cc1ccccc1 ZINC000246245522 525431501 /nfs/dbraw/zinc/43/15/01/525431501.db2.gz JHXVMGJPGKAEQX-DDBAPUKQSA-N 1 3 315.461 2.283 20 0 DEADHO C[C@@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)NC/C=C\Cl ZINC001425596135 1174391191 /nfs/dbraw/zinc/39/11/91/1174391191.db2.gz NUGCQKUTMVTHOV-PODYEWJSSA-N 1 3 313.873 2.051 20 0 DEADHO CC(=O)c1ccc(CN(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000297361074 527274930 /nfs/dbraw/zinc/27/49/30/527274930.db2.gz CAKVEOSPFYGYDR-HNNXBMFYSA-N 1 3 318.461 2.414 20 0 DEADHO CC1(C)C[C@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CO1 ZINC000417824527 527744794 /nfs/dbraw/zinc/74/47/94/527744794.db2.gz ACLPJVWCMPFHFO-KRWDZBQOSA-N 1 3 318.461 2.300 20 0 DEADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCN[C@H](C)[C@@H]2C)c1 ZINC000417404665 527842433 /nfs/dbraw/zinc/84/24/33/527842433.db2.gz OYJRZLLVLGCUOB-CABCVRRESA-N 1 3 318.465 2.030 20 0 DEADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCN[C@H](C)[C@@H]2C)c1 ZINC000417404665 527842443 /nfs/dbraw/zinc/84/24/43/527842443.db2.gz OYJRZLLVLGCUOB-CABCVRRESA-N 1 3 318.465 2.030 20 0 DEADHO CCCC(=O)Nc1ccc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1 ZINC000422881395 527960456 /nfs/dbraw/zinc/96/04/56/527960456.db2.gz NMKZDMYGVNKVPB-RRQGHBQHSA-N 1 3 319.449 2.267 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418427530 528082560 /nfs/dbraw/zinc/08/25/60/528082560.db2.gz OFBZDFVZFGWABL-SJORKVTESA-N 1 3 324.513 2.411 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)NCC[C@H]2CCC[NH2+]2)cc1 ZINC000418348274 528132611 /nfs/dbraw/zinc/13/26/11/528132611.db2.gz JAYRTJYZPQCNBQ-SJORKVTESA-N 1 3 318.465 2.251 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000418318455 528142208 /nfs/dbraw/zinc/14/22/08/528142208.db2.gz AGURISQNUPXZSL-QGZVFWFLSA-N 1 3 318.465 2.190 20 0 DEADHO CC[NH2+]CC1CCN([C@H](C)C(=O)N2CCCC[C@H]2CC)CC1 ZINC000430558901 528289869 /nfs/dbraw/zinc/28/98/69/528289869.db2.gz ZGBBNIKWGFIMPT-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@H](N)c1ccccc1 ZINC000418200355 528351655 /nfs/dbraw/zinc/35/16/55/528351655.db2.gz PWQHPHGIJAQSAI-ZBFHGGJFSA-N 1 3 306.454 2.106 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H](N)c1ccccc1 ZINC000418200355 528351657 /nfs/dbraw/zinc/35/16/57/528351657.db2.gz PWQHPHGIJAQSAI-ZBFHGGJFSA-N 1 3 306.454 2.106 20 0 DEADHO CCN(Cc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1)C1CC1 ZINC000429179844 528773154 /nfs/dbraw/zinc/77/31/54/528773154.db2.gz HBVKLLNCDAQNTE-RDTXWAMCSA-N 1 3 315.461 2.480 20 0 DEADHO CC(C)[NH+](CCN(C)C(=O)NC[C@@H](N)c1ccccc1)C(C)C ZINC000418424970 528888429 /nfs/dbraw/zinc/88/84/29/528888429.db2.gz HJRJKAIMZXPFJP-QGZVFWFLSA-N 1 3 320.481 2.447 20 0 DEADHO CC[NH+]1CCC(NC(=O)CNC(C)(C)c2cccs2)CC1 ZINC000411535648 528979661 /nfs/dbraw/zinc/97/96/61/528979661.db2.gz RQSHMTCKEFBHLU-UHFFFAOYSA-N 1 3 309.479 2.173 20 0 DEADHO CC(C)[C@H](CN[C@H](C)C[C@@H]1CCCCC[NH2+]1)N1CCOCC1 ZINC000422801334 529016362 /nfs/dbraw/zinc/01/63/62/529016362.db2.gz FGIGFPDZTGVDJB-SQNIBIBYSA-N 1 3 311.514 2.244 20 0 DEADHO CCN1CCCN(C(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000428688954 529023235 /nfs/dbraw/zinc/02/32/35/529023235.db2.gz HDKZIOBWJSBZMI-UHFFFAOYSA-N 1 3 324.513 2.378 20 0 DEADHO CC(C)N1CCc2nc(CN3CCC[C@@H](CC[NH3+])C3)sc2C1 ZINC000442926377 529084759 /nfs/dbraw/zinc/08/47/59/529084759.db2.gz YPCFBMOKIQQHRO-AWEZNQCLSA-N 1 3 322.522 2.470 20 0 DEADHO CC[C@@H](O)CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000422088243 529232546 /nfs/dbraw/zinc/23/25/46/529232546.db2.gz SBRBSWXOXZUJOY-QGZVFWFLSA-N 1 3 305.466 2.078 20 0 DEADHO CC[C@@H](O)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000422088243 529232547 /nfs/dbraw/zinc/23/25/47/529232547.db2.gz SBRBSWXOXZUJOY-QGZVFWFLSA-N 1 3 305.466 2.078 20 0 DEADHO CC[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C)c1)N(C)C ZINC000413380335 529273832 /nfs/dbraw/zinc/27/38/32/529273832.db2.gz NEVTWWCFTBVEMB-KRWDZBQOSA-N 1 3 305.466 2.225 20 0 DEADHO CC(C)N1CCc2nc(CN3CCC([C@@H](C)[NH3+])CC3)sc2C1 ZINC000347069212 535252154 /nfs/dbraw/zinc/25/21/54/535252154.db2.gz OQWLMZVHQBSFJY-CYBMUJFWSA-N 1 3 322.522 2.469 20 0 DEADHO CCNC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000192673441 535423677 /nfs/dbraw/zinc/42/36/77/535423677.db2.gz QMFXBUVTSVOUND-ALOPSCKCSA-N 1 3 301.434 2.151 20 0 DEADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC000450758078 535577424 /nfs/dbraw/zinc/57/74/24/535577424.db2.gz NLRKNNIDPFHTPS-ULQDDVLXSA-N 1 3 309.498 2.393 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1N[C@H]1CCN(CCOC)C1 ZINC000346433501 535580152 /nfs/dbraw/zinc/58/01/52/535580152.db2.gz HMYKJGMAGIOWMS-OKZBNKHCSA-N 1 3 311.514 2.197 20 0 DEADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000262714040 535847019 /nfs/dbraw/zinc/84/70/19/535847019.db2.gz TUXURALEZWZRIF-CGTJXYLNSA-N 1 3 317.477 2.041 20 0 DEADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000262714040 535847022 /nfs/dbraw/zinc/84/70/22/535847022.db2.gz TUXURALEZWZRIF-CGTJXYLNSA-N 1 3 317.477 2.041 20 0 DEADHO CCc1cccc(NC(=[NH2+])NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000360572871 535893718 /nfs/dbraw/zinc/89/37/18/535893718.db2.gz NLMZIAPAFJNWCL-HZPDHXFCSA-N 1 3 302.422 2.048 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000362762196 536041604 /nfs/dbraw/zinc/04/16/04/536041604.db2.gz GSCHPGQYWBNNLG-KRWDZBQOSA-N 1 3 315.461 2.449 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458206225 536044023 /nfs/dbraw/zinc/04/40/23/536044023.db2.gz IPEKYDXQDDRBKO-OAHLLOKOSA-N 1 3 303.450 2.210 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458206225 536044025 /nfs/dbraw/zinc/04/40/25/536044025.db2.gz IPEKYDXQDDRBKO-OAHLLOKOSA-N 1 3 303.450 2.210 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]([NH2+]CC1CC(C)(C)C1)C(C)C)N(C)C ZINC001378999736 1152524329 /nfs/dbraw/zinc/52/43/29/1152524329.db2.gz NOAOWOVOJOCRCC-HZPDHXFCSA-N 1 3 311.514 2.493 20 0 DEADHO CN(C)C[C@H]1CC[N@H+](CC2(c3ccc4c(c3)OCO4)CC2)C1 ZINC001414137913 1152565968 /nfs/dbraw/zinc/56/59/68/1152565968.db2.gz VOJAZDYXXOVKFJ-CQSZACIVSA-N 1 3 302.418 2.330 20 0 DEADHO CN(C)C[C@H]1CC[N@@H+](CC2(c3ccc4c(c3)OCO4)CC2)C1 ZINC001414137913 1152565971 /nfs/dbraw/zinc/56/59/71/1152565971.db2.gz VOJAZDYXXOVKFJ-CQSZACIVSA-N 1 3 302.418 2.330 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@@H+](CC3CCCC3)CC[C@@H]2C1 ZINC001368734565 1148626967 /nfs/dbraw/zinc/62/69/67/1148626967.db2.gz CSYWDTMGCFLVLF-MSOLQXFVSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@H+](CC3CCCC3)CC[C@@H]2C1 ZINC001368734565 1148626974 /nfs/dbraw/zinc/62/69/74/1148626974.db2.gz CSYWDTMGCFLVLF-MSOLQXFVSA-N 1 3 321.509 2.297 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CN(C)C2CCC2)cc1 ZINC001379146720 1152581362 /nfs/dbraw/zinc/58/13/62/1152581362.db2.gz MAUAZDREGPIFOT-INIZCTEOSA-N 1 3 317.477 2.416 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CCCCN1C ZINC001426954498 1174895686 /nfs/dbraw/zinc/89/56/86/1174895686.db2.gz MJXFOPYNOFYZBY-CVEARBPZSA-N 1 3 310.486 2.034 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1CCCCN1C ZINC001426954498 1174895688 /nfs/dbraw/zinc/89/56/88/1174895688.db2.gz MJXFOPYNOFYZBY-CVEARBPZSA-N 1 3 310.486 2.034 20 0 DEADHO CC[C@H](C(=O)NC1CC(C[NH2+]Cc2ccccc2)C1)N(C)C ZINC001368809402 1148680392 /nfs/dbraw/zinc/68/03/92/1148680392.db2.gz KRPXZRAMPPPADX-OFLPRAFFSA-N 1 3 303.450 2.011 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CCC1CC1)N(C)C ZINC001368811666 1148681401 /nfs/dbraw/zinc/68/14/01/1148681401.db2.gz DWGAJIVXTUZPID-SJORKVTESA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CCC1CC1)N(C)C ZINC001368811666 1148681408 /nfs/dbraw/zinc/68/14/08/1148681408.db2.gz DWGAJIVXTUZPID-SJORKVTESA-N 1 3 309.498 2.296 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@H](C)c1cccc(C)c1)N(C)C ZINC001379416181 1152621079 /nfs/dbraw/zinc/62/10/79/1152621079.db2.gz KAWLRQJWILLJFB-INMHGKMJSA-N 1 3 305.466 2.491 20 0 DEADHO Cc1cc(C[NH2+]C[C@H](C)NC(=O)CN2CC[C@H](C)C2)c(C)s1 ZINC001379549779 1152640578 /nfs/dbraw/zinc/64/05/78/1152640578.db2.gz FIDZMXNWNZZYEN-STQMWFEESA-N 1 3 323.506 2.301 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C1CC[NH+](CC2CCC2)CC1)N(C)C ZINC001369789442 1149194602 /nfs/dbraw/zinc/19/46/02/1149194602.db2.gz QTQFWOSBTIHSCQ-KRWDZBQOSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001381939143 1153281558 /nfs/dbraw/zinc/28/15/58/1153281558.db2.gz VYQSCDRIDSAGMR-YESZJQIVSA-N 1 3 309.498 2.199 20 0 DEADHO CCOC(=O)N1CCC([C@H](C)[NH2+][C@H]2CCNC23CCC3)CC1 ZINC000925641734 625484492 /nfs/dbraw/zinc/48/44/92/625484492.db2.gz AKROKDRVQVPUEN-ZFWWWQNUSA-N 1 3 309.454 2.118 20 0 DEADHO FC(F)(F)CN1CCC(C[NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000925646780 625498958 /nfs/dbraw/zinc/49/89/58/625498958.db2.gz WEJRYPJDCNLIQI-CYBMUJFWSA-N 1 3 305.388 2.135 20 0 DEADHO C[C@H]1CCN(CC(=O)NC2CCC([NH2+]CC3CCC3)CC2)C1 ZINC001026560638 625523093 /nfs/dbraw/zinc/52/30/93/625523093.db2.gz ABOJDJHVPBUAHE-OOHWJJMZSA-N 1 3 307.482 2.145 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2)C1)N(C)C ZINC001024039026 625555272 /nfs/dbraw/zinc/55/52/72/625555272.db2.gz MVQQCCJCKIJNTH-QZTJIDSGSA-N 1 3 317.477 2.355 20 0 DEADHO C[N@@H+]1CC[C@@H]2CN(C[C@@H](O)c3cc4ccccc4o3)C[C@@H]2C1 ZINC000319360678 625567647 /nfs/dbraw/zinc/56/76/47/625567647.db2.gz BCXAWVXDBQIIJW-OWCLPIDISA-N 1 3 300.402 2.350 20 0 DEADHO C[N@H+]1CC[C@@H]2CN(C[C@@H](O)c3cc4ccccc4o3)C[C@@H]2C1 ZINC000319360678 625567649 /nfs/dbraw/zinc/56/76/49/625567649.db2.gz BCXAWVXDBQIIJW-OWCLPIDISA-N 1 3 300.402 2.350 20 0 DEADHO CC(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001020587893 622926520 /nfs/dbraw/zinc/92/65/20/622926520.db2.gz YXAVFJKSTVFIPR-CKEIUWERSA-N 1 3 313.461 2.092 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001020587911 622926619 /nfs/dbraw/zinc/92/66/19/622926619.db2.gz ZZXAVSPFOJRESB-DJIMGWMZSA-N 1 3 319.493 2.288 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCC2)C1 ZINC000970176941 623279740 /nfs/dbraw/zinc/27/97/40/623279740.db2.gz JPNNYZKYGLGFQM-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H](N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)c1ccccc1F ZINC001021045244 623310253 /nfs/dbraw/zinc/31/02/53/623310253.db2.gz YMKMRZOCQRXOEA-AJNGGQMLSA-N 1 3 319.424 2.075 20 0 DEADHO C[C@H](N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)c1ccccc1F ZINC001021045244 623310259 /nfs/dbraw/zinc/31/02/59/623310259.db2.gz YMKMRZOCQRXOEA-AJNGGQMLSA-N 1 3 319.424 2.075 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)CC[NH2+]C(C)(C)C ZINC000309727737 625638577 /nfs/dbraw/zinc/63/85/77/625638577.db2.gz OABIDIZPULBSGG-OAHLLOKOSA-N 1 3 305.466 2.401 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1 ZINC001021096098 623344974 /nfs/dbraw/zinc/34/49/74/623344974.db2.gz GKKAWMDPXGJMGW-BZSNNMDCSA-N 1 3 315.461 2.298 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2ccsc2)C1)N(C)C ZINC001024162559 625645272 /nfs/dbraw/zinc/64/52/72/625645272.db2.gz WKESJTWRGOYUTN-HOCLYGCPSA-N 1 3 323.506 2.417 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001021274300 623461877 /nfs/dbraw/zinc/46/18/77/623461877.db2.gz RGFCONRGIIODQX-HMQMGEFJSA-N 1 3 307.482 2.381 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001021274300 623461879 /nfs/dbraw/zinc/46/18/79/623461879.db2.gz RGFCONRGIIODQX-HMQMGEFJSA-N 1 3 307.482 2.381 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001026735117 625699877 /nfs/dbraw/zinc/69/98/77/625699877.db2.gz YVXUWFJDYKADKU-QZTJIDSGSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001022712741 624865394 /nfs/dbraw/zinc/86/53/94/624865394.db2.gz YQMZIDCUBJVBSW-OIISXLGYSA-N 1 3 307.482 2.288 20 0 DEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000892286862 624939470 /nfs/dbraw/zinc/93/94/70/624939470.db2.gz TTWYFZUKKWSNPC-YVSFHVDLSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000892286862 624939471 /nfs/dbraw/zinc/93/94/71/624939471.db2.gz TTWYFZUKKWSNPC-YVSFHVDLSA-N 1 3 324.513 2.088 20 0 DEADHO CC(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC000972484293 625119094 /nfs/dbraw/zinc/11/90/94/625119094.db2.gz BHIWBEHVGHMDLH-DLBZAZTESA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC000972484293 625119097 /nfs/dbraw/zinc/11/90/97/625119097.db2.gz BHIWBEHVGHMDLH-DLBZAZTESA-N 1 3 309.498 2.438 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001023402894 625254984 /nfs/dbraw/zinc/25/49/84/625254984.db2.gz VUAZSRKVRDUREL-MSOLQXFVSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001023402894 625254991 /nfs/dbraw/zinc/25/49/91/625254991.db2.gz VUAZSRKVRDUREL-MSOLQXFVSA-N 1 3 321.509 2.489 20 0 DEADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CC4CCC4)[C@@H]3C2)CCC1 ZINC001026282000 625255060 /nfs/dbraw/zinc/25/50/60/625255060.db2.gz LYOWVZDQJGQCOE-BBWFWOEESA-N 1 3 319.493 2.097 20 0 DEADHO CC[NH+](CC)Cc1ccc(CNC2CC(S(C)(=O)=O)C2)cc1 ZINC000892459305 625719567 /nfs/dbraw/zinc/71/95/67/625719567.db2.gz AQQORDRASJPJBX-UHFFFAOYSA-N 1 3 324.490 2.194 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCC3CC3)C[C@H]2CC1 ZINC000946518493 634507491 /nfs/dbraw/zinc/50/74/91/634507491.db2.gz USUNSXHPPJSTGD-KSZLIROESA-N 1 3 319.493 2.051 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCC3CC3)C[C@H]2CC1 ZINC000946518493 634507498 /nfs/dbraw/zinc/50/74/98/634507498.db2.gz USUNSXHPPJSTGD-KSZLIROESA-N 1 3 319.493 2.051 20 0 DEADHO CC(C)[NH2+]C1CC(N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000999399720 634579713 /nfs/dbraw/zinc/57/97/13/634579713.db2.gz GMQWFYIPYQSDBE-KVULBXGLSA-N 1 3 313.461 2.186 20 0 DEADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]CC2CC3(CCC3)C2)C1 ZINC000999474061 634602914 /nfs/dbraw/zinc/60/29/14/634602914.db2.gz PYWBFQUSEUJRAK-UHFFFAOYSA-N 1 3 316.449 2.112 20 0 DEADHO O=C(c1cccc(CN2CCCC2)c1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424032434 634614709 /nfs/dbraw/zinc/61/47/09/634614709.db2.gz VSUUZUAXPZHSKG-IBGZPJMESA-N 1 3 313.445 2.251 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCC2CCCC2)C1)N(C)C ZINC000999491482 634619611 /nfs/dbraw/zinc/61/96/11/634619611.db2.gz VIPWJIWBOKPXKQ-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO [NH3+]CC1(CC(=O)N2CCN(C3CCCC3)CC2)CCCCC1 ZINC000185356242 634649562 /nfs/dbraw/zinc/64/95/62/634649562.db2.gz RDGSTQJYQASUJW-UHFFFAOYSA-N 1 3 307.482 2.373 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CC3CCCC3)C2)C1 ZINC001000189204 634783616 /nfs/dbraw/zinc/78/36/16/634783616.db2.gz DESIZRNQGVKEOT-RDJZCZTQSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]CC2CCCC2)C(C)(C)C1 ZINC000996300270 633232290 /nfs/dbraw/zinc/23/22/90/633232290.db2.gz LCZQZPJRVSEPDR-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001027068667 633383704 /nfs/dbraw/zinc/38/37/04/633383704.db2.gz AMNULHMRTVYDTL-WBVHZDCISA-N 1 3 321.440 2.104 20 0 DEADHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001027217672 633500687 /nfs/dbraw/zinc/50/06/87/633500687.db2.gz NOSWOUQDILGCAP-GOSISDBHSA-N 1 3 321.509 2.491 20 0 DEADHO CCN1CCN(CCC[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)CC1 ZINC000921526036 633584462 /nfs/dbraw/zinc/58/44/62/633584462.db2.gz DEVUBNJEININOS-MRXNPFEDSA-N 1 3 317.477 2.127 20 0 DEADHO CC1CCN(CC(=O)N2CCC(C[NH2+]CC3CCC3)CC2)CC1 ZINC000998175628 634161016 /nfs/dbraw/zinc/16/10/16/634161016.db2.gz NYAIZNNBLJLFGO-UHFFFAOYSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([N@H+](C)CC3CCC3)C2)C1 ZINC001027576346 634183833 /nfs/dbraw/zinc/18/38/33/634183833.db2.gz NHWGXPRMOXFYCU-NVXWUHKLSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([N@@H+](C)CC3CCC3)C2)C1 ZINC001027576346 634183835 /nfs/dbraw/zinc/18/38/35/634183835.db2.gz NHWGXPRMOXFYCU-NVXWUHKLSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2)C1)N(C)C ZINC001027578856 634191032 /nfs/dbraw/zinc/19/10/32/634191032.db2.gz WHRNFSSNGABCOE-ROUUACIJSA-N 1 3 317.477 2.450 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2)C1)N(C)C ZINC001027578856 634191035 /nfs/dbraw/zinc/19/10/35/634191035.db2.gz WHRNFSSNGABCOE-ROUUACIJSA-N 1 3 317.477 2.450 20 0 DEADHO CC(C)[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C[C@@H]2C1 ZINC000980144375 634860980 /nfs/dbraw/zinc/86/09/80/634860980.db2.gz AAAFGBNVODLFBX-GVDBMIGSSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C[C@@H]2C1 ZINC000980144375 634860983 /nfs/dbraw/zinc/86/09/83/634860983.db2.gz AAAFGBNVODLFBX-GVDBMIGSSA-N 1 3 321.509 2.486 20 0 DEADHO CC[NH2+]C[C@H]1C[C@@H](C)N(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000980811038 635163961 /nfs/dbraw/zinc/16/39/61/635163961.db2.gz GLDNZMYKPIVWBK-GDBMZVCRSA-N 1 3 303.450 2.208 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000981143813 635330172 /nfs/dbraw/zinc/33/01/72/635330172.db2.gz WGSDAFZQCZGISS-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000981143813 635330179 /nfs/dbraw/zinc/33/01/79/635330179.db2.gz WGSDAFZQCZGISS-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CCC[C@H]([NH2+]CCF)C1 ZINC000981541324 635522960 /nfs/dbraw/zinc/52/29/60/635522960.db2.gz JZICGJZNWRZWDI-HOTGVXAUSA-N 1 3 321.440 2.348 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCN(CCCF)CC2)C1 ZINC000981806045 635662586 /nfs/dbraw/zinc/66/25/86/635662586.db2.gz LLIXBGVLDYRXEQ-MRXNPFEDSA-N 1 3 313.461 2.002 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCCN(CCCF)CC2)C1 ZINC000981806045 635662592 /nfs/dbraw/zinc/66/25/92/635662592.db2.gz LLIXBGVLDYRXEQ-MRXNPFEDSA-N 1 3 313.461 2.002 20 0 DEADHO CCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC000981812957 635666165 /nfs/dbraw/zinc/66/61/65/635666165.db2.gz ZORXVUQHZVXWIA-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CCCC[N@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC000981812957 635666169 /nfs/dbraw/zinc/66/61/69/635666169.db2.gz ZORXVUQHZVXWIA-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CCCC[N@@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC000981826001 635672668 /nfs/dbraw/zinc/67/26/68/635672668.db2.gz XTVIDWURTDSRGC-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CCCC[N@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC000981826001 635672671 /nfs/dbraw/zinc/67/26/71/635672671.db2.gz XTVIDWURTDSRGC-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCCN(CC2=CCCCC2)CC1 ZINC000981960421 635769849 /nfs/dbraw/zinc/76/98/49/635769849.db2.gz VNBKNLBGIZFEER-SJLPKXTDSA-N 1 3 319.493 2.219 20 0 DEADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCCN(CC2=CCCCC2)CC1 ZINC000981960421 635769852 /nfs/dbraw/zinc/76/98/52/635769852.db2.gz VNBKNLBGIZFEER-SJLPKXTDSA-N 1 3 319.493 2.219 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCCC2(CN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC000982019466 635815007 /nfs/dbraw/zinc/81/50/07/635815007.db2.gz XBRNFHMCGVOTTJ-CVEARBPZSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCCC2(CN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC000982019466 635815010 /nfs/dbraw/zinc/81/50/10/635815010.db2.gz XBRNFHMCGVOTTJ-CVEARBPZSA-N 1 3 309.498 2.297 20 0 DEADHO O=C(NC1CCN(C/C=C/Cl)CC1)c1ccn2c[nH+]cc2c1 ZINC001003249826 635928015 /nfs/dbraw/zinc/92/80/15/635928015.db2.gz BFOPBHKFNRFEGS-ORCRQEGFSA-N 1 3 318.808 2.281 20 0 DEADHO CC[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)N3CCCCC3)C[C@@]2(C)C1 ZINC000982281104 635942726 /nfs/dbraw/zinc/94/27/26/635942726.db2.gz NOPJMTREHDPGGP-KDURUIRLSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)N3CCCCC3)C[C@@]2(C)C1 ZINC000982281104 635942727 /nfs/dbraw/zinc/94/27/27/635942727.db2.gz NOPJMTREHDPGGP-KDURUIRLSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(F)cc(F)c1 ZINC000925850859 635950028 /nfs/dbraw/zinc/95/00/28/635950028.db2.gz CKNJENONKGQJKQ-NHYWBVRUSA-N 1 3 324.371 2.301 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](C(C)C)C[C@]2(C)C1 ZINC000982292348 635950527 /nfs/dbraw/zinc/95/05/27/635950527.db2.gz GUWKFFLCTXSCIZ-YTQUADARSA-N 1 3 321.509 2.440 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](C(C)C)C[C@]2(C)C1 ZINC000982292348 635950530 /nfs/dbraw/zinc/95/05/30/635950530.db2.gz GUWKFFLCTXSCIZ-YTQUADARSA-N 1 3 321.509 2.440 20 0 DEADHO COC(=O)[C@@](C)(CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000893942957 636071162 /nfs/dbraw/zinc/07/11/62/636071162.db2.gz ODBDYLZYDITFFB-PHSGOXPASA-N 1 3 316.445 2.332 20 0 DEADHO COC(=O)[C@@](C)(CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000893942957 636071165 /nfs/dbraw/zinc/07/11/65/636071165.db2.gz ODBDYLZYDITFFB-PHSGOXPASA-N 1 3 316.445 2.332 20 0 DEADHO COC(=O)[C@@](C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1 ZINC000893942957 636071166 /nfs/dbraw/zinc/07/11/66/636071166.db2.gz ODBDYLZYDITFFB-PHSGOXPASA-N 1 3 316.445 2.332 20 0 DEADHO Cc1ccnc(N)c1C[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000894096114 636111456 /nfs/dbraw/zinc/11/14/56/636111456.db2.gz UEUDRXGRMABNBD-RHSMWYFYSA-N 1 3 300.450 2.421 20 0 DEADHO Cc1ccnc(N)c1C[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000894096114 636111458 /nfs/dbraw/zinc/11/14/58/636111458.db2.gz UEUDRXGRMABNBD-RHSMWYFYSA-N 1 3 300.450 2.421 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1ccccc1F)C2 ZINC000922389653 636150989 /nfs/dbraw/zinc/15/09/89/636150989.db2.gz VKALYUWTHJCNRS-ZJPYXAASSA-N 1 3 306.425 2.395 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1ccccc1F)C2 ZINC000922389653 636150990 /nfs/dbraw/zinc/15/09/90/636150990.db2.gz VKALYUWTHJCNRS-ZJPYXAASSA-N 1 3 306.425 2.395 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cc(C)ns3)C2)[C@H]1C(C)C ZINC000922396530 636157626 /nfs/dbraw/zinc/15/76/26/636157626.db2.gz XNUXFXKYGHKEFZ-QBPKDAKJSA-N 1 3 323.506 2.411 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cc(C)ns3)C2)[C@H]1C(C)C ZINC000922396530 636157627 /nfs/dbraw/zinc/15/76/27/636157627.db2.gz XNUXFXKYGHKEFZ-QBPKDAKJSA-N 1 3 323.506 2.411 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC1CC[NH+](CCCF)CC1 ZINC001004201340 636220499 /nfs/dbraw/zinc/22/04/99/636220499.db2.gz NDTFLMXMHJVPIP-UHFFFAOYSA-N 1 3 321.440 2.302 20 0 DEADHO CC[C@@H](C(=O)N1C[C@]2(C)C[N@H+](CC=C(C)C)C[C@]2(C)C1)N(C)C ZINC000982560890 636265542 /nfs/dbraw/zinc/26/55/42/636265542.db2.gz PUNUZGRCCVJYLY-YTQUADARSA-N 1 3 321.509 2.463 20 0 DEADHO CC[C@@H](C(=O)N1C[C@]2(C)C[N@@H+](CC=C(C)C)C[C@]2(C)C1)N(C)C ZINC000982560890 636265546 /nfs/dbraw/zinc/26/55/46/636265546.db2.gz PUNUZGRCCVJYLY-YTQUADARSA-N 1 3 321.509 2.463 20 0 DEADHO CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)N(C)C)C[C@@]2(C)C1 ZINC000982560424 636265781 /nfs/dbraw/zinc/26/57/81/636265781.db2.gz IZWGRRQKZIWARP-RYQLBKOJSA-N 1 3 309.498 2.297 20 0 DEADHO CCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)N(C)C)C[C@@]2(C)C1 ZINC000982560424 636265783 /nfs/dbraw/zinc/26/57/83/636265783.db2.gz IZWGRRQKZIWARP-RYQLBKOJSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001028536337 636328239 /nfs/dbraw/zinc/32/82/39/636328239.db2.gz AFSPPMUBQZSOTL-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001028536337 636328246 /nfs/dbraw/zinc/32/82/46/636328246.db2.gz AFSPPMUBQZSOTL-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN(C/C=C/Cl)C1 ZINC001028537559 636329446 /nfs/dbraw/zinc/32/94/46/636329446.db2.gz NIYYMLVSXZXESE-HYBGQWMJSA-N 1 3 313.873 2.050 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN(C/C=C/Cl)C1 ZINC001028537559 636329450 /nfs/dbraw/zinc/32/94/50/636329450.db2.gz NIYYMLVSXZXESE-HYBGQWMJSA-N 1 3 313.873 2.050 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001004372997 636399819 /nfs/dbraw/zinc/39/98/19/636399819.db2.gz TZTFDFGYRPADLP-QZTJIDSGSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001004372997 636399822 /nfs/dbraw/zinc/39/98/22/636399822.db2.gz TZTFDFGYRPADLP-QZTJIDSGSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C(=O)[C@@H]1CCCN1C)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001005182046 636685545 /nfs/dbraw/zinc/68/55/45/636685545.db2.gz CILKPIBYJJLKJL-KRWDZBQOSA-N 1 3 321.509 2.440 20 0 DEADHO CN1CCC(O)(C[NH2+]Cc2cc3c(cccc3O)s2)CC1 ZINC000894305480 636768745 /nfs/dbraw/zinc/76/87/45/636768745.db2.gz VDRYEDQHNIGWAH-UHFFFAOYSA-N 1 3 306.431 2.153 20 0 DEADHO C[C@@H]([NH2+]CC1CCCC1)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001029065920 637025470 /nfs/dbraw/zinc/02/54/70/637025470.db2.gz NBKYKRZOOZRVBU-QAPCUYQASA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@]12C[C@@H]1CCCC2 ZINC000923200635 637029078 /nfs/dbraw/zinc/02/90/78/637029078.db2.gz AOXAIXUTFAUBOK-XYJFISCASA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@]12C[C@@H]1CCCC2 ZINC000923200635 637029084 /nfs/dbraw/zinc/02/90/84/637029084.db2.gz AOXAIXUTFAUBOK-XYJFISCASA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@]12C[C@H]1CCCC2 ZINC000923200630 637029399 /nfs/dbraw/zinc/02/93/99/637029399.db2.gz AOXAIXUTFAUBOK-JZXOWHBKSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@]12C[C@H]1CCCC2 ZINC000923200630 637029410 /nfs/dbraw/zinc/02/94/10/637029410.db2.gz AOXAIXUTFAUBOK-JZXOWHBKSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)C2CC[NH+](CCC3CC3)CC2)C1 ZINC001005992761 637048417 /nfs/dbraw/zinc/04/84/17/637048417.db2.gz VJGNWECWTRQFEJ-OAHLLOKOSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+](CCCN1CCCC1)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894471594 637059054 /nfs/dbraw/zinc/05/90/54/637059054.db2.gz LJCGMFBDXZWMCW-HOTGVXAUSA-N 1 3 314.445 2.428 20 0 DEADHO CC[N@@H+](CCCN1CCCC1)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894471594 637059061 /nfs/dbraw/zinc/05/90/61/637059061.db2.gz LJCGMFBDXZWMCW-HOTGVXAUSA-N 1 3 314.445 2.428 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)c1 ZINC000923280939 637080597 /nfs/dbraw/zinc/08/05/97/637080597.db2.gz KIDFHTTWZYCTTJ-SJORKVTESA-N 1 3 301.434 2.057 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)c1 ZINC000923280939 637080601 /nfs/dbraw/zinc/08/06/01/637080601.db2.gz KIDFHTTWZYCTTJ-SJORKVTESA-N 1 3 301.434 2.057 20 0 DEADHO CCc1nc(C)c([C@@H](C)N(C)C[C@@H]2CC3(C[NH2+]C3)CO2)s1 ZINC000923325433 637117906 /nfs/dbraw/zinc/11/79/06/637117906.db2.gz ULKJWKQKPOSNMH-OLZOCXBDSA-N 1 3 309.479 2.385 20 0 DEADHO CCCN(C[C@H](O)COc1ccccc1F)C1CC[NH2+]CC1 ZINC000923327455 637119270 /nfs/dbraw/zinc/11/92/70/637119270.db2.gz PVKVXBHGCHRPAM-HNNXBMFYSA-N 1 3 310.413 2.029 20 0 DEADHO CCC[N@H+](C[C@H](O)COc1ccccc1F)C1CCNCC1 ZINC000923327455 637119274 /nfs/dbraw/zinc/11/92/74/637119274.db2.gz PVKVXBHGCHRPAM-HNNXBMFYSA-N 1 3 310.413 2.029 20 0 DEADHO CCC[N@@H+](C[C@H](O)COc1ccccc1F)C1CCNCC1 ZINC000923327455 637119280 /nfs/dbraw/zinc/11/92/80/637119280.db2.gz PVKVXBHGCHRPAM-HNNXBMFYSA-N 1 3 310.413 2.029 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)CN2CC[C@H]([C@H](C)[NH3+])C2)c1C ZINC000923333535 637120146 /nfs/dbraw/zinc/12/01/46/637120146.db2.gz XQMKQQHPDMDDGR-YESZJQIVSA-N 1 3 306.450 2.021 20 0 DEADHO CN(C(=O)Cc1c[nH]cn1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001006065184 637144704 /nfs/dbraw/zinc/14/47/04/637144704.db2.gz OCAKGYJSUBOIQP-UHFFFAOYSA-N 1 3 318.465 2.455 20 0 DEADHO Cc1ccc(OC[C@H](O)CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(C)c1 ZINC000923385414 637154483 /nfs/dbraw/zinc/15/44/83/637154483.db2.gz AURCMGWXKVQKGS-SCTDSRPQSA-N 1 3 318.461 2.104 20 0 DEADHO CC(C)(C)[C@@]1(C[NH3+])CCN(C[C@H](O)COc2ccccc2F)C1 ZINC000923416247 637161921 /nfs/dbraw/zinc/16/19/21/637161921.db2.gz UYEVXOJQTIJMPE-KBXCAEBGSA-N 1 3 324.440 2.262 20 0 DEADHO C[C@@H]1CN(C[C@H](O)Cc2ccccc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000923410389 637164523 /nfs/dbraw/zinc/16/45/23/637164523.db2.gz GKLYIKNWSSEMOJ-MRVWCRGKSA-N 1 3 316.367 2.135 20 0 DEADHO FC(F)(F)c1ccc(CCCN2CCNCC[NH2+]CC2)cc1 ZINC000923463985 637193078 /nfs/dbraw/zinc/19/30/78/637193078.db2.gz YJLAMQZAIFJNIB-UHFFFAOYSA-N 1 3 315.383 2.133 20 0 DEADHO FC(F)(F)c1ccc(CCC[NH+]2CCNCCNCC2)cc1 ZINC000923463985 637193082 /nfs/dbraw/zinc/19/30/82/637193082.db2.gz YJLAMQZAIFJNIB-UHFFFAOYSA-N 1 3 315.383 2.133 20 0 DEADHO Cc1ccc([C@@H](NC(=O)CN2CC[C@H](CC[NH3+])C2)C2CC2)cc1 ZINC000923484914 637205904 /nfs/dbraw/zinc/20/59/04/637205904.db2.gz CUHXCLLGLWUTJK-HNAYVOBHSA-N 1 3 315.461 2.233 20 0 DEADHO CCN(CC)C(=O)[C@@H](C)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923504522 637219697 /nfs/dbraw/zinc/21/96/97/637219697.db2.gz ZMRPAIBESXOWRD-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CCCCNC(=O)[C@@H](C)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923504218 637219857 /nfs/dbraw/zinc/21/98/57/637219857.db2.gz VEILMVVKTZMCMD-CVEARBPZSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000895099223 637556941 /nfs/dbraw/zinc/55/69/41/637556941.db2.gz YYEQYIQRHHLRRA-IRXDYDNUSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](CC[NH2+]Cc1ccc(Cl)cc1-n1cncn1)N(C)C ZINC000895293458 637897522 /nfs/dbraw/zinc/89/75/22/637897522.db2.gz LYJCLJJIJPNUND-LBPRGKRZSA-N 1 3 307.829 2.351 20 0 DEADHO CN(C)c1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]3CN)CC2)cc1 ZINC000841031750 650409601 /nfs/dbraw/zinc/40/96/01/650409601.db2.gz WLNBQMNCBNBAPE-HNAYVOBHSA-N 1 3 316.493 2.438 20 0 DEADHO CN1c2ccc(CNCc3ccc(CC[NH3+])cc3)cc2CCC1=O ZINC000841033307 650410382 /nfs/dbraw/zinc/41/03/82/650410382.db2.gz MYTKIOXRDXPMKO-UHFFFAOYSA-N 1 3 323.440 2.387 20 0 DEADHO Cn1nc(C(F)(F)F)c(CNCC[C@H]2CC[NH2+]C2)c1Cl ZINC000841036523 650410929 /nfs/dbraw/zinc/41/09/29/650410929.db2.gz PKEHQCXFHNYBIO-MRVPVSSYSA-N 1 3 310.751 2.182 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@H]2CCN[C@H](C)C2)C1 ZINC000841061836 650418702 /nfs/dbraw/zinc/41/87/02/650418702.db2.gz NOJFTCCKESMZDL-NDBYEHHHSA-N 1 3 304.381 2.084 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@@H]1NC1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000841062718 650418850 /nfs/dbraw/zinc/41/88/50/650418850.db2.gz BIZVGHTUAUQFQN-KXBFYZLASA-N 1 3 316.493 2.452 20 0 DEADHO CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]CCCNC2CC2)C1 ZINC000841091118 650428781 /nfs/dbraw/zinc/42/87/81/650428781.db2.gz UNCSOGOXUZMAPA-WCQYABFASA-N 1 3 304.381 2.085 20 0 DEADHO C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)N1CCCCC1 ZINC000749206755 638623504 /nfs/dbraw/zinc/62/35/04/638623504.db2.gz BBOWZRPWIGEMOZ-DOTOQJQBSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)N1CCCCC1 ZINC000749206755 638623509 /nfs/dbraw/zinc/62/35/09/638623509.db2.gz BBOWZRPWIGEMOZ-DOTOQJQBSA-N 1 3 307.482 2.384 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(Cl)nc2)CC1 ZINC000179105088 639463447 /nfs/dbraw/zinc/46/34/47/639463447.db2.gz NMAXQFXOCMKXIK-KGLIPLIRSA-N 1 3 310.873 2.412 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C[N@H+](C)CC2CCCC2)C1 ZINC001029840496 639535270 /nfs/dbraw/zinc/53/52/70/639535270.db2.gz BLDJUXVRAJYCSI-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001029840496 639535273 /nfs/dbraw/zinc/53/52/73/639535273.db2.gz BLDJUXVRAJYCSI-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO C[N@H+](CC1CC(C)(C)C1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675914 639576970 /nfs/dbraw/zinc/57/69/70/639576970.db2.gz YMNANHJZWYQDIR-UHFFFAOYSA-N 1 3 318.465 2.311 20 0 DEADHO C[N@@H+](CC1CC(C)(C)C1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675914 639576972 /nfs/dbraw/zinc/57/69/72/639576972.db2.gz YMNANHJZWYQDIR-UHFFFAOYSA-N 1 3 318.465 2.311 20 0 DEADHO C[C@@H]1[C@H]([NH2+]CC2CCCC2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986933585 640019695 /nfs/dbraw/zinc/01/96/95/640019695.db2.gz CDXJUCRAGSOIMR-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)[C@H]2C)cc1 ZINC000987065138 640071396 /nfs/dbraw/zinc/07/13/96/640071396.db2.gz HXLVAKVEIOCTSC-YOEHRIQHSA-N 1 3 312.417 2.040 20 0 DEADHO CC(C)(C)OC(=O)NC1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000897423899 640093601 /nfs/dbraw/zinc/09/36/01/640093601.db2.gz SFJUXENHTWPSIR-ZIAGYGMSSA-N 1 3 309.454 2.260 20 0 DEADHO CC(C)(C)OC(=O)NC1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000897423899 640093602 /nfs/dbraw/zinc/09/36/02/640093602.db2.gz SFJUXENHTWPSIR-ZIAGYGMSSA-N 1 3 309.454 2.260 20 0 DEADHO C[C@@H]1[C@H]([NH2+]Cc2cccc(F)c2)CCN1C(=O)CN1CCCC1 ZINC000987520144 640211214 /nfs/dbraw/zinc/21/12/14/640211214.db2.gz BKBAWCGRZAWJFE-RHSMWYFYSA-N 1 3 319.424 2.001 20 0 DEADHO Cc1cnc(C)c(NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000762794540 640460847 /nfs/dbraw/zinc/46/08/47/640460847.db2.gz OPBKIWQUGDJAMB-UHFFFAOYSA-N 1 3 303.454 2.064 20 0 DEADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC000762980111 640489364 /nfs/dbraw/zinc/48/93/64/640489364.db2.gz UULWDALIQOQEMR-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1cccc(-n2cnnn2)c1 ZINC000766474191 640886195 /nfs/dbraw/zinc/88/61/95/640886195.db2.gz SEAHFYAADZBURD-NUEKZKHPSA-N 1 3 314.437 2.186 20 0 DEADHO COc1ccc([C@@H](NC(C)C)C(=O)NC(C)(C)C[NH+](C)C)cc1 ZINC000897949594 640984109 /nfs/dbraw/zinc/98/41/09/640984109.db2.gz WMFWADPHDASQRB-MRXNPFEDSA-N 1 3 321.465 2.191 20 0 DEADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CCCN(CCCF)CC2)C1 ZINC000989483052 641121290 /nfs/dbraw/zinc/12/12/90/641121290.db2.gz KLEGMAMZPUHPNZ-HOTGVXAUSA-N 1 3 313.461 2.001 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000926904072 641460973 /nfs/dbraw/zinc/46/09/73/641460973.db2.gz DHZXLBGRKNWFEY-IZXDZPFWSA-N 1 3 306.372 2.416 20 0 DEADHO CN(C)Cc1ccccc1CNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000899990659 642231421 /nfs/dbraw/zinc/23/14/21/642231421.db2.gz PAYHQKUOSFQHPC-QZTJIDSGSA-N 1 3 315.461 2.381 20 0 DEADHO CN(C)Cc1ccccc1CNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000899990659 642231423 /nfs/dbraw/zinc/23/14/23/642231423.db2.gz PAYHQKUOSFQHPC-QZTJIDSGSA-N 1 3 315.461 2.381 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])c1 ZINC000900480447 642382898 /nfs/dbraw/zinc/38/28/98/642382898.db2.gz QILQJERHLHDTLP-CRAIPNDOSA-N 1 3 316.449 2.483 20 0 DEADHO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900524466 642389854 /nfs/dbraw/zinc/38/98/54/642389854.db2.gz ZOBHSODSWQHCFR-INIZCTEOSA-N 1 3 314.433 2.457 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900986228 642537456 /nfs/dbraw/zinc/53/74/56/642537456.db2.gz ZPLJQKGOEUEVET-VVLHAWIVSA-N 1 3 305.466 2.089 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000900986228 642537459 /nfs/dbraw/zinc/53/74/59/642537459.db2.gz ZPLJQKGOEUEVET-VVLHAWIVSA-N 1 3 305.466 2.089 20 0 DEADHO Cn1c(=O)ccc2c1CCC[C@H]2N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902392094 643027653 /nfs/dbraw/zinc/02/76/53/643027653.db2.gz KEITVHZQMJWDID-DZGCQCFKSA-N 1 3 303.450 2.131 20 0 DEADHO COc1ccc2c(c1)C[C@H](C)C[C@H]2[NH2+]C[C@H](O)CN1CCCC1 ZINC000902762341 643128507 /nfs/dbraw/zinc/12/85/07/643128507.db2.gz LWQOUBXEBLPUTM-URLQWDBASA-N 1 3 318.461 2.365 20 0 DEADHO CN1CCN(CCCC[NH2+][C@@H](c2ccccn2)C2CC2)CC1 ZINC000903065447 643235451 /nfs/dbraw/zinc/23/54/51/643235451.db2.gz GSVVMRFKDYHEFC-GOSISDBHSA-N 1 3 302.466 2.150 20 0 DEADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NC3CC(CC(N)=O)C3)CC2)C1 ZINC000903261719 643303785 /nfs/dbraw/zinc/30/37/85/643303785.db2.gz VYNLZOOPUADBKG-VFNXUKNFSA-N 1 3 307.482 2.273 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000903434508 643348162 /nfs/dbraw/zinc/34/81/62/643348162.db2.gz GUULXAAIIXTQRP-RPVQJOFSSA-N 1 3 306.425 2.427 20 0 DEADHO Clc1ccc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)nc1 ZINC000903507026 643378008 /nfs/dbraw/zinc/37/80/08/643378008.db2.gz KBXFEEFGMTXJQX-CALCHBBNSA-N 1 3 320.868 2.136 20 0 DEADHO CN(CCOc1cccc(Cl)c1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718433 643437783 /nfs/dbraw/zinc/43/77/83/643437783.db2.gz MLJFSNQTEMGGCV-DLBZAZTESA-N 1 3 324.852 2.419 20 0 DEADHO C[C@H]1CCCN(C(=O)C2CCN(C[C@@H]3CCCC[NH2+]C3)CC2)C1 ZINC000903723618 643439877 /nfs/dbraw/zinc/43/98/77/643439877.db2.gz XBRBCMANJAEDFG-DLBZAZTESA-N 1 3 321.509 2.347 20 0 DEADHO Cc1cc(C)nc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000903760665 643452875 /nfs/dbraw/zinc/45/28/75/643452875.db2.gz JEIYMHPKIHNLTI-SJLPKXTDSA-N 1 3 303.450 2.417 20 0 DEADHO NC[C@@]12CC[C@@H]1CC[N@@H+]2CCCc1nc(-c2ccccc2)no1 ZINC000903855489 643485830 /nfs/dbraw/zinc/48/58/30/643485830.db2.gz OHZANNYVVZOKTN-QAPCUYQASA-N 1 3 312.417 2.482 20 0 DEADHO NC[C@@]12CC[C@@H]1CC[N@H+]2CCCc1nc(-c2ccccc2)no1 ZINC000903855489 643485832 /nfs/dbraw/zinc/48/58/32/643485832.db2.gz OHZANNYVVZOKTN-QAPCUYQASA-N 1 3 312.417 2.482 20 0 DEADHO O=C(C1CCCCC1)N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903888800 643490149 /nfs/dbraw/zinc/49/01/49/643490149.db2.gz LFZQUGBBMGYQIU-ZNXRZULTSA-N 1 3 319.493 2.242 20 0 DEADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CC[C@@H](c2ccccc2)C1 ZINC000903884040 643496524 /nfs/dbraw/zinc/49/65/24/643496524.db2.gz PVDBZJXMVKTKDK-IAGOWNOFSA-N 1 3 311.433 2.192 20 0 DEADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN[C@@H]1C[C@@H]1C1CCCCC1 ZINC000903927370 643510997 /nfs/dbraw/zinc/51/09/97/643510997.db2.gz RGDFBOLJDUEGJG-DJIMGWMZSA-N 1 3 303.454 2.261 20 0 DEADHO Cc1ccc(NC(=O)C[C@@H](C)NC[C@@H]2C[NH2+]C[C@H]2C)c(C)c1 ZINC000903968368 643538084 /nfs/dbraw/zinc/53/80/84/643538084.db2.gz UKBAMDKJKLOGQV-OAGGEKHMSA-N 1 3 303.450 2.466 20 0 DEADHO COc1ccccc1N1CCN(CC2CC[NH+](C)CC2)CC1 ZINC000788471074 643612749 /nfs/dbraw/zinc/61/27/49/643612749.db2.gz SSVLPJNBCGBVPC-UHFFFAOYSA-N 1 3 303.450 2.159 20 0 DEADHO COC(=O)c1ccc2c(c1)OCCN(C[C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC000904475385 643677788 /nfs/dbraw/zinc/67/77/88/643677788.db2.gz OJWAHJSNNYPSAO-UONOGXRCSA-N 1 3 318.417 2.056 20 0 DEADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000905053653 643772610 /nfs/dbraw/zinc/77/26/10/643772610.db2.gz BVGYFLUESYGBHY-ROUUACIJSA-N 1 3 320.477 2.324 20 0 DEADHO CN1CCN(C2CC[NH+]([C@H]3C[C@H]3c3cccc(F)c3)CC2)CC1 ZINC000906594276 644297655 /nfs/dbraw/zinc/29/76/55/644297655.db2.gz CTYVGDGIQFIDKN-OALUTQOASA-N 1 3 317.452 2.393 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000908147340 644752466 /nfs/dbraw/zinc/75/24/66/644752466.db2.gz PGKVANGGAMKORE-LJQANCHMSA-N 1 3 324.428 2.077 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000908147340 644752469 /nfs/dbraw/zinc/75/24/69/644752469.db2.gz PGKVANGGAMKORE-LJQANCHMSA-N 1 3 324.428 2.077 20 0 DEADHO CN1CC[C@H]([NH2+]C[C@H](O)COc2cccc(F)c2)[C@H]2CCC[C@H]21 ZINC000796700593 644779460 /nfs/dbraw/zinc/77/94/60/644779460.db2.gz FLPWXXIQSOSRGC-XOYOTBSWSA-N 1 3 322.424 2.028 20 0 DEADHO Cc1cc(=O)oc2cc(OCCN[C@](C)(C[NH3+])C(C)C)ccc12 ZINC000843356014 650956542 /nfs/dbraw/zinc/95/65/42/650956542.db2.gz ASLGRFBJHSHKEY-GOSISDBHSA-N 1 3 318.417 2.443 20 0 DEADHO C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000798499088 645027163 /nfs/dbraw/zinc/02/71/63/645027163.db2.gz LOBUOOXMCIQVAK-BHIYHBOVSA-N 1 3 301.478 2.438 20 0 DEADHO C[NH+]1CCC2(CCCN(CC(=O)NC3CCCCC3)C2)CC1 ZINC000799178774 645139727 /nfs/dbraw/zinc/13/97/27/645139727.db2.gz JOXHRTGRIVOASV-UHFFFAOYSA-N 1 3 307.482 2.243 20 0 DEADHO COc1ccccc1[C@@H](N)CNC(=O)[C@@H]([NH3+])C1CCCCCC1 ZINC000911664275 645769068 /nfs/dbraw/zinc/76/90/68/645769068.db2.gz KZEFAGJYNIOXCP-RDJZCZTQSA-N 1 3 319.449 2.109 20 0 DEADHO COC(C[N@H+](C)C[C@@H]1CCN(Cc2ccc(C)s2)C1)OC ZINC000809559245 646236686 /nfs/dbraw/zinc/23/66/86/646236686.db2.gz KVXFWTABDRGXEW-AWEZNQCLSA-N 1 3 312.479 2.429 20 0 DEADHO COC(C[N@@H+](C)C[C@@H]1CCN(Cc2ccc(C)s2)C1)OC ZINC000809559245 646236692 /nfs/dbraw/zinc/23/66/92/646236692.db2.gz KVXFWTABDRGXEW-AWEZNQCLSA-N 1 3 312.479 2.429 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)N(C)C ZINC000913428720 646351313 /nfs/dbraw/zinc/35/13/13/646351313.db2.gz DKYOSWLUIPWZLX-NXHRZFHOSA-N 1 3 317.477 2.211 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)N(C)C ZINC000913428720 646351316 /nfs/dbraw/zinc/35/13/16/646351316.db2.gz DKYOSWLUIPWZLX-NXHRZFHOSA-N 1 3 317.477 2.211 20 0 DEADHO CC(C)[N@@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@H]12 ZINC000992014802 646828370 /nfs/dbraw/zinc/82/83/70/646828370.db2.gz SGCVRFYVYRJANO-YQVWRLOYSA-N 1 3 319.493 2.382 20 0 DEADHO CC(C)[N@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@H]12 ZINC000992014802 646828374 /nfs/dbraw/zinc/82/83/74/646828374.db2.gz SGCVRFYVYRJANO-YQVWRLOYSA-N 1 3 319.493 2.382 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001015052815 646892880 /nfs/dbraw/zinc/89/28/80/646892880.db2.gz NYSJSBRHRKHANU-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001015052815 646892882 /nfs/dbraw/zinc/89/28/82/646892882.db2.gz NYSJSBRHRKHANU-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCCCc3cnn(C)n3)CC2)C1 ZINC000815639984 647037715 /nfs/dbraw/zinc/03/77/15/647037715.db2.gz MOGUYAFNSDKDDB-MAUKXSAKSA-N 1 3 319.497 2.380 20 0 DEADHO C[C@@H]1C[C@H](C)N(Cc2ccc3c(c2)CCC(=O)N3C)C[C@@H]1C[NH3+] ZINC000817866265 647369207 /nfs/dbraw/zinc/36/92/07/647369207.db2.gz WLBIIUWCHFVCLX-KEYYUXOJSA-N 1 3 315.461 2.401 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H](O)c1ccccc1C(F)(F)F ZINC000817889973 647371981 /nfs/dbraw/zinc/37/19/81/647371981.db2.gz RDKPKDVKGFNTCI-LEWSCRJBSA-N 1 3 302.340 2.456 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@](C)(O)c1cccs1 ZINC000817911569 647379949 /nfs/dbraw/zinc/37/99/49/647379949.db2.gz CLQYFKXXIFFSLF-BZNIZROVSA-N 1 3 305.447 2.469 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000817916915 647380986 /nfs/dbraw/zinc/38/09/86/647380986.db2.gz JQBHSFQNNXYEAO-ORAYPTAESA-N 1 3 311.429 2.333 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000817918036 647381016 /nfs/dbraw/zinc/38/10/16/647381016.db2.gz GMQMDEFTWOTFHS-SWLSCSKDSA-N 1 3 305.422 2.185 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H](O)c1ccccc1Br ZINC000817937331 647388070 /nfs/dbraw/zinc/38/80/70/647388070.db2.gz YGIZRZLTOVQYGW-OPQQBVKSSA-N 1 3 301.228 2.198 20 0 DEADHO C[C@H]([NH2+][C@@H]1CNCC[C@@H]1C)c1ccc(N2CCOC2=O)cc1 ZINC000817968038 647396856 /nfs/dbraw/zinc/39/68/56/647396856.db2.gz NQMJRNCEPOMQQL-HEHGZKQESA-N 1 3 303.406 2.292 20 0 DEADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(N2CCNC2=O)cc1 ZINC000818616441 647489450 /nfs/dbraw/zinc/48/94/50/647489450.db2.gz XKTRPUQPBWZMCX-APHBMKBZSA-N 1 3 302.422 2.137 20 0 DEADHO O[C@@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(F)c1 ZINC000819062423 647575798 /nfs/dbraw/zinc/57/57/98/647575798.db2.gz PRLKVKBUXKETKW-MSOLQXFVSA-N 1 3 322.424 2.092 20 0 DEADHO Cc1ccccc1[C@H](O)C[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000819085425 647580386 /nfs/dbraw/zinc/58/03/86/647580386.db2.gz UZHTXHOJPHSPBC-VQIMIIECSA-N 1 3 318.461 2.119 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCCCCCC1 ZINC000820062348 647777310 /nfs/dbraw/zinc/77/73/10/647777310.db2.gz BICIRFVPKYDDQZ-INIZCTEOSA-N 1 3 312.502 2.234 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCCCCCC1 ZINC000820062348 647777313 /nfs/dbraw/zinc/77/73/13/647777313.db2.gz BICIRFVPKYDDQZ-INIZCTEOSA-N 1 3 312.502 2.234 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCCN1CCC(F)(F)F ZINC000994415095 647945341 /nfs/dbraw/zinc/94/53/41/647945341.db2.gz ZYFJWPAQEVOINU-OLZOCXBDSA-N 1 3 321.387 2.004 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)CN2CCCC2)CCC[N@@H+]1CCC(F)(F)F ZINC000994415095 647945345 /nfs/dbraw/zinc/94/53/45/647945345.db2.gz ZYFJWPAQEVOINU-OLZOCXBDSA-N 1 3 321.387 2.004 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)CN2CCCC2)CCC[N@H+]1CCC(F)(F)F ZINC000994415095 647945348 /nfs/dbraw/zinc/94/53/48/647945348.db2.gz ZYFJWPAQEVOINU-OLZOCXBDSA-N 1 3 321.387 2.004 20 0 DEADHO C[C@H](CNC(=O)N1CCN(C2CCCC2)CC1)[NH+]1CCCCC1 ZINC000918122396 648057766 /nfs/dbraw/zinc/05/77/66/648057766.db2.gz QKQSFXRNGAQKIF-MRXNPFEDSA-N 1 3 322.497 2.131 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000824826989 648658263 /nfs/dbraw/zinc/65/82/63/648658263.db2.gz VUIGQZZLOYZJIL-LUKYLMHMSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000824826989 648658268 /nfs/dbraw/zinc/65/82/68/648658268.db2.gz VUIGQZZLOYZJIL-LUKYLMHMSA-N 1 3 309.498 2.201 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC2)CC1(C)C ZINC000940788964 648941962 /nfs/dbraw/zinc/94/19/62/648941962.db2.gz GHGKKRDOQIIQJU-IRXDYDNUSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC2)CC1(C)C ZINC000940788964 648941965 /nfs/dbraw/zinc/94/19/65/648941965.db2.gz GHGKKRDOQIIQJU-IRXDYDNUSA-N 1 3 321.509 2.488 20 0 DEADHO CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000940918421 648971571 /nfs/dbraw/zinc/97/15/71/648971571.db2.gz PKSYLICUNSRCLT-IAGOWNOFSA-N 1 3 321.509 2.488 20 0 DEADHO CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000940918421 648971573 /nfs/dbraw/zinc/97/15/73/648971573.db2.gz PKSYLICUNSRCLT-IAGOWNOFSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1C[N@H+](CCC2CC2)CC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942555679 649245800 /nfs/dbraw/zinc/24/58/00/649245800.db2.gz OHMWXEZANHTWEL-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1C[N@@H+](CCC2CC2)CC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942555679 649245803 /nfs/dbraw/zinc/24/58/03/649245803.db2.gz OHMWXEZANHTWEL-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO CN(CCN1CCCCC1)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000846613471 651341069 /nfs/dbraw/zinc/34/10/69/651341069.db2.gz FWMGDSJBPCEZIT-QGZVFWFLSA-N 1 3 313.461 2.143 20 0 DEADHO CN(CCN1CCCCC1)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000846613471 651341070 /nfs/dbraw/zinc/34/10/70/651341070.db2.gz FWMGDSJBPCEZIT-QGZVFWFLSA-N 1 3 313.461 2.143 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](NC[C@H](O)c2cccc(Br)c2)C1 ZINC000848719859 651498079 /nfs/dbraw/zinc/49/80/79/651498079.db2.gz FQHRAVNTUHEEJB-RDBSUJKOSA-N 1 3 313.239 2.342 20 0 DEADHO CC(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCCN1C(C)C)C1CC1 ZINC001389669304 1155391910 /nfs/dbraw/zinc/39/19/10/1155391910.db2.gz FRUDQMHFAMGJAJ-IRXDYDNUSA-N 1 3 309.498 2.390 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000848992636 651574222 /nfs/dbraw/zinc/57/42/22/651574222.db2.gz NWXLTNSBUPWWBC-QKPAOTATSA-N 1 3 310.486 2.178 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@]1(F)c1ccccc1 ZINC000849044643 651593611 /nfs/dbraw/zinc/59/36/11/651593611.db2.gz AZFKEUYDCQLHCR-INMHGKMJSA-N 1 3 304.413 2.222 20 0 DEADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000855285401 651664719 /nfs/dbraw/zinc/66/47/19/651664719.db2.gz FBOAWBNZTRJKPP-CXAGYDPISA-N 1 3 313.461 2.188 20 0 DEADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000855285401 651664726 /nfs/dbraw/zinc/66/47/26/651664726.db2.gz FBOAWBNZTRJKPP-CXAGYDPISA-N 1 3 313.461 2.188 20 0 DEADHO COCCC[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856599021 651955628 /nfs/dbraw/zinc/95/56/28/651955628.db2.gz LVIOAFDAKOSJKL-SFHVURJKSA-N 1 3 321.465 2.411 20 0 DEADHO COCCC[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856599021 651955631 /nfs/dbraw/zinc/95/56/31/651955631.db2.gz LVIOAFDAKOSJKL-SFHVURJKSA-N 1 3 321.465 2.411 20 0 DEADHO CC[N@H+](C[C@H](O)CN(C)C(C)C)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000852065637 652330197 /nfs/dbraw/zinc/33/01/97/652330197.db2.gz HTHDZWVZMYNOER-CGTJXYLNSA-N 1 3 308.466 2.132 20 0 DEADHO CC[N@@H+](C[C@H](O)CN(C)C(C)C)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000852065637 652330203 /nfs/dbraw/zinc/33/02/03/652330203.db2.gz HTHDZWVZMYNOER-CGTJXYLNSA-N 1 3 308.466 2.132 20 0 DEADHO Cc1ccc([C@H](CNC(=O)C=C2CC[NH2+]CC2)N(C)C)cc1 ZINC000852861411 652471527 /nfs/dbraw/zinc/47/15/27/652471527.db2.gz UZTYRVUQMWTWIM-KRWDZBQOSA-N 1 3 301.434 2.024 20 0 DEADHO CC(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN(C)C(C)C)C2 ZINC001393395321 1157819682 /nfs/dbraw/zinc/81/96/82/1157819682.db2.gz OPJLYYUZAZXQSU-BJWYYQGGSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN(C)C(C)C)C2 ZINC001393395321 1157819687 /nfs/dbraw/zinc/81/96/87/1157819687.db2.gz OPJLYYUZAZXQSU-BJWYYQGGSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@H+](CC2CCC2)CC1(C)C ZINC001393758215 1157955427 /nfs/dbraw/zinc/95/54/27/1157955427.db2.gz CMBLRWFYHVNXPO-INIZCTEOSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@@H+](CC2CCC2)CC1(C)C ZINC001393758215 1157955435 /nfs/dbraw/zinc/95/54/35/1157955435.db2.gz CMBLRWFYHVNXPO-INIZCTEOSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)[N@H+](C)CCC1CC1 ZINC001394115564 1158307828 /nfs/dbraw/zinc/30/78/28/1158307828.db2.gz XIQDUZNTNVRIGC-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)[N@@H+](C)CCC1CC1 ZINC001394115564 1158307837 /nfs/dbraw/zinc/30/78/37/1158307837.db2.gz XIQDUZNTNVRIGC-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCCC1)C1CC1 ZINC001375225207 1158389944 /nfs/dbraw/zinc/38/99/44/1158389944.db2.gz OZCMXQDBYJXJEF-INIZCTEOSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H](CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1)NCCF ZINC001394512104 1158601441 /nfs/dbraw/zinc/60/14/41/1158601441.db2.gz OKFNCQQARMJRPQ-ZDUSSCGKSA-N 1 3 301.450 2.045 20 0 DEADHO C[C@@H](CN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1)NCCF ZINC001394512104 1158601449 /nfs/dbraw/zinc/60/14/49/1158601449.db2.gz OKFNCQQARMJRPQ-ZDUSSCGKSA-N 1 3 301.450 2.045 20 0 DEADHO C[C@@H]1CCN(C(=O)C[C@H]([NH3+])C2CC2)CCN1Cc1ccccc1 ZINC000382684090 685405638 /nfs/dbraw/zinc/40/56/38/685405638.db2.gz DKEQDGZCFDGIJO-QAPCUYQASA-N 1 3 315.461 2.237 20 0 DEADHO CN(CCNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000386746362 685418972 /nfs/dbraw/zinc/41/89/72/685418972.db2.gz FJCIMFXJSZJNGP-SJORKVTESA-N 1 3 303.450 2.142 20 0 DEADHO C[C@@H]([NH3+])[C@@H]1CCN(CCOc2cccc(Br)c2)C1 ZINC000127194147 684161158 /nfs/dbraw/zinc/16/11/58/684161158.db2.gz ISCWZDQGTHOJHK-VXGBXAGGSA-N 1 3 313.239 2.497 20 0 DEADHO CC(C)[NH+](CCSCCCN1CCN(C)CC1)C(C)C ZINC000131253217 684198142 /nfs/dbraw/zinc/19/81/42/684198142.db2.gz MSCGYFKRQYDNDX-UHFFFAOYSA-N 1 3 301.544 2.476 20 0 DEADHO CC(C)CC[NH+]1CCN(C(=O)c2ccn3cncc3c2)CC1 ZINC000151637423 684264473 /nfs/dbraw/zinc/26/44/73/684264473.db2.gz ILXSLBULVREIRP-UHFFFAOYSA-N 1 3 300.406 2.138 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)C2(N(C)C)CCC2)[NH+](C)C)cc1 ZINC000158809467 684303824 /nfs/dbraw/zinc/30/38/24/684303824.db2.gz JXVFQOOUSHKLDX-MRXNPFEDSA-N 1 3 303.450 2.198 20 0 DEADHO CC(C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001054198258 693879275 /nfs/dbraw/zinc/87/92/75/693879275.db2.gz TZGGGQCPABRGHZ-FUHWJXTLSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001054198258 693879282 /nfs/dbraw/zinc/87/92/82/693879282.db2.gz TZGGGQCPABRGHZ-FUHWJXTLSA-N 1 3 307.482 2.051 20 0 DEADHO CN(CCOC1CCOCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212895 685682646 /nfs/dbraw/zinc/68/26/46/685682646.db2.gz KTIFZWFFRZKCGI-UHFFFAOYSA-N 1 3 306.450 2.376 20 0 DEADHO O=C(OCC12CCC[NH+](CCC1)C2)C1CCN(C2CC2)CC1 ZINC000861360836 686064454 /nfs/dbraw/zinc/06/44/54/686064454.db2.gz IWAZSGVGZGPGON-UHFFFAOYSA-N 1 3 306.450 2.280 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CCC1CCCC1 ZINC001054734077 694034667 /nfs/dbraw/zinc/03/46/67/694034667.db2.gz ACIVFYWYZPOQPH-QAPCUYQASA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]Cc1ccccc1 ZINC001054734773 694035551 /nfs/dbraw/zinc/03/55/51/694035551.db2.gz GNFUJEBBGIDWGA-RDJZCZTQSA-N 1 3 315.461 2.107 20 0 DEADHO CC[C@@H](CNC(=[NH2+])Nc1ccc(CCO)cc1)N1CCCC1 ZINC000864454028 686725507 /nfs/dbraw/zinc/72/55/07/686725507.db2.gz RSXQAHZRHVYQAE-INIZCTEOSA-N 1 3 304.438 2.032 20 0 DEADHO C[C@@H]1CN(CCc2cccc(F)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000930138065 694097930 /nfs/dbraw/zinc/09/79/30/694097930.db2.gz WRUMVWBZQKLUNN-VQIMIIECSA-N 1 3 319.468 2.326 20 0 DEADHO C[C@@H]1C[N@H+](CCc2cccc(F)c2)CC[C@H]1N1CCN(C)CC1 ZINC000930138065 694097932 /nfs/dbraw/zinc/09/79/32/694097932.db2.gz WRUMVWBZQKLUNN-VQIMIIECSA-N 1 3 319.468 2.326 20 0 DEADHO C[C@@H]1C[N@@H+](CCc2cccc(F)c2)CC[C@H]1N1CCN(C)CC1 ZINC000930138065 694097936 /nfs/dbraw/zinc/09/79/36/694097936.db2.gz WRUMVWBZQKLUNN-VQIMIIECSA-N 1 3 319.468 2.326 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001015794485 687423959 /nfs/dbraw/zinc/42/39/59/687423959.db2.gz HKXONHFDKAALDG-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001015794485 687423963 /nfs/dbraw/zinc/42/39/63/687423963.db2.gz HKXONHFDKAALDG-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO Cc1ccccc1CN1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001015998811 687493872 /nfs/dbraw/zinc/49/38/72/687493872.db2.gz QXNGUXSVMBVTTE-SJLPKXTDSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccccc1CN1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001015998811 687493875 /nfs/dbraw/zinc/49/38/75/687493875.db2.gz QXNGUXSVMBVTTE-SJLPKXTDSA-N 1 3 315.461 2.027 20 0 DEADHO CC(C)(C)[NH+]1CCC(NC[C@H]2CC3(CO2)CCOCC3)CC1 ZINC000866534267 687603945 /nfs/dbraw/zinc/60/39/45/687603945.db2.gz QLACKIOKBIFNMS-MRXNPFEDSA-N 1 3 310.482 2.425 20 0 DEADHO CN(CC(=O)N1CCC[C@H](C[N@H+](C)CC2CC2)C1)C1CCC1 ZINC001017141794 687802368 /nfs/dbraw/zinc/80/23/68/687802368.db2.gz JBXJXOCRGHVHKP-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CN(CC(=O)N1CCC[C@H](C[N@@H+](C)CC2CC2)C1)C1CCC1 ZINC001017141794 687802372 /nfs/dbraw/zinc/80/23/72/687802372.db2.gz JBXJXOCRGHVHKP-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001017565123 687914606 /nfs/dbraw/zinc/91/46/06/687914606.db2.gz CGKPCIWEENADAM-WCXIOVBPSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001017565123 687914611 /nfs/dbraw/zinc/91/46/11/687914611.db2.gz CGKPCIWEENADAM-WCXIOVBPSA-N 1 3 307.482 2.048 20 0 DEADHO CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1occc1CN(C)C ZINC001017857239 687972968 /nfs/dbraw/zinc/97/29/68/687972968.db2.gz IOBHMVPHPGKMGD-GASCZTMLSA-N 1 3 305.422 2.040 20 0 DEADHO CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1occc1CN(C)C ZINC001017857239 687972971 /nfs/dbraw/zinc/97/29/71/687972971.db2.gz IOBHMVPHPGKMGD-GASCZTMLSA-N 1 3 305.422 2.040 20 0 DEADHO CC(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[C@H](C)C1 ZINC001017943558 688008169 /nfs/dbraw/zinc/00/81/69/688008169.db2.gz GIEOONGPMASSCC-YESZJQIVSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[C@H](C)C1 ZINC001017943558 688008173 /nfs/dbraw/zinc/00/81/73/688008173.db2.gz GIEOONGPMASSCC-YESZJQIVSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCc2cccs2)C1)N(C)C ZINC001018999596 688267350 /nfs/dbraw/zinc/26/73/50/688267350.db2.gz YNMSNJKOJQBMIG-HOCLYGCPSA-N 1 3 323.506 2.067 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001019381365 688343667 /nfs/dbraw/zinc/34/36/67/688343667.db2.gz HJFYUTHYXBNQTD-ZBFHGGJFSA-N 1 3 307.482 2.097 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001019820583 688413390 /nfs/dbraw/zinc/41/33/90/688413390.db2.gz PPIWUJOBOKGDDZ-IRXDYDNUSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H]([NH2+]CC2CC(C)C2)C1 ZINC001020143907 688473954 /nfs/dbraw/zinc/47/39/54/688473954.db2.gz JTASNGAXZPTOCK-SWHNLWLKSA-N 1 3 307.482 2.142 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001028845928 688545299 /nfs/dbraw/zinc/54/52/99/688545299.db2.gz UDLUQBIUKFOLLK-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001028845928 688545303 /nfs/dbraw/zinc/54/53/03/688545303.db2.gz UDLUQBIUKFOLLK-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC([C@@H](C)[NH2+]CC2CC2)CC1)N(C)C ZINC001029140280 688553580 /nfs/dbraw/zinc/55/35/80/688553580.db2.gz UBQORJMEQWGMTD-RHSMWYFYSA-N 1 3 309.498 2.199 20 0 DEADHO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000870863065 688670194 /nfs/dbraw/zinc/67/01/94/688670194.db2.gz MYILYJJEGSQYOK-MJQMVNBJSA-N 1 3 313.445 2.067 20 0 DEADHO CC1CCC(N2CCN(C(=O)[C@H]3CC[C@H]([NH3+])CC3)CC2)CC1 ZINC000870888984 688678983 /nfs/dbraw/zinc/67/89/83/688678983.db2.gz VBKCSCPYWFCUHZ-JLYIEGTKSA-N 1 3 307.482 2.227 20 0 DEADHO Cc1cccc(CN2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC000870908083 688683267 /nfs/dbraw/zinc/68/32/67/688683267.db2.gz UNJPFDKXJDDDMI-GOSISDBHSA-N 1 3 315.461 2.027 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H]2CCOC3(CCCC3)C2)CC1 ZINC000872023440 688915228 /nfs/dbraw/zinc/91/52/28/688915228.db2.gz RRPJAZYNGKWKKB-KRWDZBQOSA-N 1 3 309.498 2.095 20 0 DEADHO CC(C)(C)[C@@]1(CN)CC[N@H+](C[C@@H]2CC3(CO2)CCOCC3)C1 ZINC000872144965 688935847 /nfs/dbraw/zinc/93/58/47/688935847.db2.gz JUBZQFDVVMUQIL-MAUKXSAKSA-N 1 3 310.482 2.269 20 0 DEADHO CC(C)(C)[C@@]1(CN)CC[N@@H+](C[C@@H]2CC3(CO2)CCOCC3)C1 ZINC000872144965 688935851 /nfs/dbraw/zinc/93/58/51/688935851.db2.gz JUBZQFDVVMUQIL-MAUKXSAKSA-N 1 3 310.482 2.269 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)N2CC[NH2+]CCC2(C)C)cc(Cl)n1 ZINC000872296965 688976317 /nfs/dbraw/zinc/97/63/17/688976317.db2.gz CUPBMYCYVQXKPA-ZDUSSCGKSA-N 1 3 324.856 2.034 20 0 DEADHO CC(C)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001032406412 689141857 /nfs/dbraw/zinc/14/18/57/689141857.db2.gz YZJQVEPOBOCGLE-SZMVWBNQSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001032406412 689141860 /nfs/dbraw/zinc/14/18/60/689141860.db2.gz YZJQVEPOBOCGLE-SZMVWBNQSA-N 1 3 319.493 2.335 20 0 DEADHO CCCC(=O)NC1CCN(Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873204164 689182262 /nfs/dbraw/zinc/18/22/62/689182262.db2.gz ZKLKAUPLQZZQHW-UHFFFAOYSA-N 1 3 321.490 2.275 20 0 DEADHO CC1CC[NH+](C2CCC(NCc3cnc(N)cn3)CC2)CC1 ZINC000873212244 689185301 /nfs/dbraw/zinc/18/53/01/689185301.db2.gz XMEJGUCFRALXHE-UHFFFAOYSA-N 1 3 303.454 2.192 20 0 DEADHO COCCC1([NH2+]C[C@@H]2CCOc3ccccc32)CCNCC1 ZINC000873225193 689187916 /nfs/dbraw/zinc/18/79/16/689187916.db2.gz TWCGFLANKMYINV-HNNXBMFYSA-N 1 3 304.434 2.301 20 0 DEADHO Nc1cnc(CN2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cn1 ZINC000873232197 689190943 /nfs/dbraw/zinc/19/09/43/689190943.db2.gz MSTREHCEWTWNKY-XJKSGUPXSA-N 1 3 303.454 2.178 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@H]1N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000873251334 689194472 /nfs/dbraw/zinc/19/44/72/689194472.db2.gz WAYAXTMESUXAEW-MUIFIZLQSA-N 1 3 322.474 2.098 20 0 DEADHO NC[C@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000873251334 689194474 /nfs/dbraw/zinc/19/44/74/689194474.db2.gz WAYAXTMESUXAEW-MUIFIZLQSA-N 1 3 322.474 2.098 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1C[C@H](C(=O)OCc2ccccc2)C1 ZINC000873274417 689200045 /nfs/dbraw/zinc/20/00/45/689200045.db2.gz UVWVLGDNTGVOCS-LUKYLMHMSA-N 1 3 302.418 2.225 20 0 DEADHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](C(=O)OCc2ccccc2)C1 ZINC000873274417 689200047 /nfs/dbraw/zinc/20/00/47/689200047.db2.gz UVWVLGDNTGVOCS-LUKYLMHMSA-N 1 3 302.418 2.225 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001033070423 689376138 /nfs/dbraw/zinc/37/61/38/689376138.db2.gz QGQFLSAORQTNGE-IAGOWNOFSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033070423 689376143 /nfs/dbraw/zinc/37/61/43/689376143.db2.gz QGQFLSAORQTNGE-IAGOWNOFSA-N 1 3 307.482 2.192 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001033125678 689397703 /nfs/dbraw/zinc/39/77/03/689397703.db2.gz HAKSDPMJEOVCJD-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033125678 689397707 /nfs/dbraw/zinc/39/77/07/689397707.db2.gz HAKSDPMJEOVCJD-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001033125713 689397886 /nfs/dbraw/zinc/39/78/86/689397886.db2.gz HDDCJHGTONUAGQ-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001033125713 689397890 /nfs/dbraw/zinc/39/78/90/689397890.db2.gz HDDCJHGTONUAGQ-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCN(CC=C(C)C)C1 ZINC001033125420 689398494 /nfs/dbraw/zinc/39/84/94/689398494.db2.gz DIKGPBHSKLGWAS-DLBZAZTESA-N 1 3 307.482 2.360 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCN(CC=C(C)C)C1 ZINC001033125420 689398496 /nfs/dbraw/zinc/39/84/96/689398496.db2.gz DIKGPBHSKLGWAS-DLBZAZTESA-N 1 3 307.482 2.360 20 0 DEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)CC[NH2+]C(C)(C)C ZINC000930978193 694286443 /nfs/dbraw/zinc/28/64/43/694286443.db2.gz KQOWCENEEMCZKC-UHFFFAOYSA-N 1 3 323.456 2.494 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001033295840 689452002 /nfs/dbraw/zinc/45/20/02/689452002.db2.gz NPUQQKYFJFGXNN-ROUUACIJSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001033295840 689452005 /nfs/dbraw/zinc/45/20/05/689452005.db2.gz NPUQQKYFJFGXNN-ROUUACIJSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CC2CC2)C1)N1CCCCCC1 ZINC001033466395 689510788 /nfs/dbraw/zinc/51/07/88/689510788.db2.gz FEDKKCIAEGNVDG-RDJZCZTQSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](CC2CC2)C1)N1CCCCCC1 ZINC001033466395 689510792 /nfs/dbraw/zinc/51/07/92/689510792.db2.gz FEDKKCIAEGNVDG-RDJZCZTQSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H](C(=O)N(C)[C@H]1CC[N@H+](CC2CC2)C1)N1CCCCCC1 ZINC001033466397 689511684 /nfs/dbraw/zinc/51/16/84/689511684.db2.gz FEDKKCIAEGNVDG-WBVHZDCISA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CC2CC2)C1)N1CCCCCC1 ZINC001033466397 689511687 /nfs/dbraw/zinc/51/16/87/689511687.db2.gz FEDKKCIAEGNVDG-WBVHZDCISA-N 1 3 307.482 2.194 20 0 DEADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001033592474 689554304 /nfs/dbraw/zinc/55/43/04/689554304.db2.gz ZYVMIRSCBUQMPT-AWEZNQCLSA-N 1 3 304.438 2.020 20 0 DEADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033592474 689554309 /nfs/dbraw/zinc/55/43/09/689554309.db2.gz ZYVMIRSCBUQMPT-AWEZNQCLSA-N 1 3 304.438 2.020 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC2)CC1 ZINC001034642255 689917374 /nfs/dbraw/zinc/91/73/74/689917374.db2.gz DSERHEDVPWLWRD-ULQDDVLXSA-N 1 3 307.482 2.286 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000876737216 689922029 /nfs/dbraw/zinc/92/20/29/689922029.db2.gz PUZDNJFDQBLCIG-IWCQGFGOSA-N 1 3 315.461 2.312 20 0 DEADHO CC[NH2+][C@H]1CC[C@H](NC(=O)c2ccccc2CN(C)C)CC1 ZINC001034795914 689949803 /nfs/dbraw/zinc/94/98/03/689949803.db2.gz YRQLRUVZNSYYSW-WKILWMFISA-N 1 3 303.450 2.399 20 0 DEADHO CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCN2C(C)C)cc1 ZINC001034816483 689953712 /nfs/dbraw/zinc/95/37/12/689953712.db2.gz PNOCGXKIUPOBAW-QGZVFWFLSA-N 1 3 303.450 2.285 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001034884677 689977910 /nfs/dbraw/zinc/97/79/10/689977910.db2.gz LBFTUSSSBLMSSC-IAGOWNOFSA-N 1 3 319.493 2.242 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000877030579 690002210 /nfs/dbraw/zinc/00/22/10/690002210.db2.gz IKWSMCCSRHLIOR-TZDHZFECSA-N 1 3 301.434 2.113 20 0 DEADHO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H]2CNCc3ccccc32)cc1 ZINC000877138330 690027446 /nfs/dbraw/zinc/02/74/46/690027446.db2.gz UZLCBIGGHCOCJJ-RCCFBDPRSA-N 1 3 307.397 2.327 20 0 DEADHO O=C(CCCC[NH+]1CCCC1)NC[C@H]1Cc2ccccc2CN1 ZINC000877343388 690082372 /nfs/dbraw/zinc/08/23/72/690082372.db2.gz LSRVZIJLPVNHTB-GOSISDBHSA-N 1 3 315.461 2.083 20 0 DEADHO C[C@H](C(=O)NC[C@H]1Cc2ccccc2CN1)[C@H]([NH3+])c1ccccc1 ZINC000877347153 690084342 /nfs/dbraw/zinc/08/43/42/690084342.db2.gz RJACVQHXYTUEBV-KYNGSXCRSA-N 1 3 323.440 2.153 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@]3(C)C=CCC3)CC2)CC1 ZINC000931216359 694342281 /nfs/dbraw/zinc/34/22/81/694342281.db2.gz GCWKHCSXWNZROU-GOSISDBHSA-N 1 3 305.466 2.018 20 0 DEADHO CC(C)[NH2+][C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001036028603 690239360 /nfs/dbraw/zinc/23/93/60/690239360.db2.gz KHRYQUCXLUFSAI-CVEARBPZSA-N 1 3 309.498 2.486 20 0 DEADHO CCC[NH2+][C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001036028731 690239658 /nfs/dbraw/zinc/23/96/58/690239658.db2.gz KYRPMFFMOZCTBC-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CN1CCC(C)(C)C1 ZINC001036577810 690389845 /nfs/dbraw/zinc/38/98/45/690389845.db2.gz NLJMCNNHLPZFOR-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](NC[C@@H](O)CC1(O)CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000878412247 690400705 /nfs/dbraw/zinc/40/07/05/690400705.db2.gz UFKIYPJGJJWQPX-JZXOWHBKSA-N 1 3 324.509 2.285 20 0 DEADHO C[C@H](NC[C@@H](O)CC1(O)CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000878412247 690400708 /nfs/dbraw/zinc/40/07/08/690400708.db2.gz UFKIYPJGJJWQPX-JZXOWHBKSA-N 1 3 324.509 2.285 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CC3CCC3)C2)CCC1 ZINC001036736347 690452156 /nfs/dbraw/zinc/45/21/56/690452156.db2.gz YSSOIUXPMSAWGQ-DLBZAZTESA-N 1 3 319.493 2.194 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CC3CCC3)C2)CCC1 ZINC001036736347 690452157 /nfs/dbraw/zinc/45/21/57/690452157.db2.gz YSSOIUXPMSAWGQ-DLBZAZTESA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)CC[C@@H]21 ZINC001036736623 690453230 /nfs/dbraw/zinc/45/32/30/690453230.db2.gz CNYIMELZSYOSMH-AEFFLSMTSA-N 1 3 319.493 2.360 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)CC[C@@H]21 ZINC001036736623 690453233 /nfs/dbraw/zinc/45/32/33/690453233.db2.gz CNYIMELZSYOSMH-AEFFLSMTSA-N 1 3 319.493 2.360 20 0 DEADHO Cc1ccccc1C1(NCC(=O)NC2CC[NH+](C)CC2)CCC1 ZINC000878799174 690502580 /nfs/dbraw/zinc/50/25/80/690502580.db2.gz DTILGHNGLJAFKT-UHFFFAOYSA-N 1 3 315.461 2.174 20 0 DEADHO CC(C)(C(=O)N[C@H]1CCC[C@H]1C[NH2+]CC1CC1)N1CCCC1 ZINC001037056892 690562145 /nfs/dbraw/zinc/56/21/45/690562145.db2.gz NHUMNGVCPQMASS-HOTGVXAUSA-N 1 3 307.482 2.145 20 0 DEADHO CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CC(C)C ZINC001037851210 690623140 /nfs/dbraw/zinc/62/31/40/690623140.db2.gz JMOQTUQTWNIBLO-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CCC1CC1 ZINC001037859672 690625780 /nfs/dbraw/zinc/62/57/80/690625780.db2.gz KUWKMCDPECXUET-AEFFLSMTSA-N 1 3 321.509 2.488 20 0 DEADHO COc1cccc([C@H]2CN(CC[C@H]3CCC[N@@H+]3C)CCN2)c1 ZINC000879523420 690661680 /nfs/dbraw/zinc/66/16/80/690661680.db2.gz CNUPSKFLKFERMC-SJLPKXTDSA-N 1 3 303.450 2.126 20 0 DEADHO COc1cccc([C@H]2CN(CC[C@H]3CCC[N@H+]3C)CCN2)c1 ZINC000879523420 690661682 /nfs/dbraw/zinc/66/16/82/690661682.db2.gz CNUPSKFLKFERMC-SJLPKXTDSA-N 1 3 303.450 2.126 20 0 DEADHO COc1ccc([C@H]2CN(CCCc3cncn3C)CC[NH2+]2)cc1 ZINC000879523777 690661935 /nfs/dbraw/zinc/66/19/35/690661935.db2.gz OKDAWIJZUZPKKW-GOSISDBHSA-N 1 3 314.433 2.008 20 0 DEADHO CO[C@@H](CN1CCC([NH+]2CCN(C)CC2)CC1)c1ccccc1 ZINC000879596511 690683931 /nfs/dbraw/zinc/68/39/31/690683931.db2.gz NJXUWRNZHZRNNU-IBGZPJMESA-N 1 3 317.477 2.086 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2CCCC2CCC2)CC[N@@H+]1C ZINC001038272688 690764734 /nfs/dbraw/zinc/76/47/34/690764734.db2.gz KTIDVNGRPQFQDA-OKZBNKHCSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2CCCC2CCC2)CC[N@H+]1C ZINC001038272688 690764737 /nfs/dbraw/zinc/76/47/37/690764737.db2.gz KTIDVNGRPQFQDA-OKZBNKHCSA-N 1 3 321.509 2.488 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCN2CCC2CC2)C1 ZINC001038620693 690878252 /nfs/dbraw/zinc/87/82/52/690878252.db2.gz CHPSQNJDQWZSOI-SJORKVTESA-N 1 3 307.482 2.099 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCN2CCC2CC2)C1 ZINC001038620693 690878256 /nfs/dbraw/zinc/87/82/56/690878256.db2.gz CHPSQNJDQWZSOI-SJORKVTESA-N 1 3 307.482 2.099 20 0 DEADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCN2CCCC2CCCC2)CC1 ZINC001038662069 690889462 /nfs/dbraw/zinc/88/94/62/690889462.db2.gz IXDQBXHPRXMFNR-SFHVURJKSA-N 1 3 321.509 2.489 20 0 DEADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCN2CCCC2CCC2)CC1 ZINC001038664645 690890133 /nfs/dbraw/zinc/89/01/33/690890133.db2.gz VSNFEAFUAFXCDX-KRWDZBQOSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)N1CCN(CCC[NH+]2CCC3(CCCCO3)CC2)CC1 ZINC000880457989 690903028 /nfs/dbraw/zinc/90/30/28/690903028.db2.gz LNGOISXIWAPVOI-UHFFFAOYSA-N 1 3 323.525 2.438 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001038782272 690924054 /nfs/dbraw/zinc/92/40/54/690924054.db2.gz RJIZKDJXJOODPO-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001038782272 690924055 /nfs/dbraw/zinc/92/40/55/690924055.db2.gz RJIZKDJXJOODPO-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CCN2CC2CCC2)cc1 ZINC001038814967 690932303 /nfs/dbraw/zinc/93/23/03/690932303.db2.gz AKPPOJKBBZDVQM-SFHVURJKSA-N 1 3 315.461 2.352 20 0 DEADHO CC(C)=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001039460269 691110989 /nfs/dbraw/zinc/11/09/89/691110989.db2.gz IOOIIUFPUDFKQK-KSZLIROESA-N 1 3 319.493 2.360 20 0 DEADHO CC(C)=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001039460269 691110991 /nfs/dbraw/zinc/11/09/91/691110991.db2.gz IOOIIUFPUDFKQK-KSZLIROESA-N 1 3 319.493 2.360 20 0 DEADHO CC[N@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001039489366 691117556 /nfs/dbraw/zinc/11/75/56/691117556.db2.gz SMWGPQMSVWZMSZ-HNNXBMFYSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001039489366 691117559 /nfs/dbraw/zinc/11/75/59/691117559.db2.gz SMWGPQMSVWZMSZ-HNNXBMFYSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001040393747 691240896 /nfs/dbraw/zinc/24/08/96/691240896.db2.gz DQPWQDJGOBMZBS-AEFFLSMTSA-N 1 3 307.482 2.053 20 0 DEADHO CCC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001040393747 691240900 /nfs/dbraw/zinc/24/09/00/691240900.db2.gz DQPWQDJGOBMZBS-AEFFLSMTSA-N 1 3 307.482 2.053 20 0 DEADHO CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040390968 691241562 /nfs/dbraw/zinc/24/15/62/691241562.db2.gz NENIGVUOAUERAL-GOSISDBHSA-N 1 3 307.482 2.053 20 0 DEADHO CC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040390968 691241564 /nfs/dbraw/zinc/24/15/64/691241564.db2.gz NENIGVUOAUERAL-GOSISDBHSA-N 1 3 307.482 2.053 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001040394818 691241919 /nfs/dbraw/zinc/24/19/19/691241919.db2.gz LQNUUMVORZNDOD-IEBWSBKVSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001040394818 691241921 /nfs/dbraw/zinc/24/19/21/691241921.db2.gz LQNUUMVORZNDOD-IEBWSBKVSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001040394815 691242097 /nfs/dbraw/zinc/24/20/97/691242097.db2.gz LQNUUMVORZNDOD-HKUYNNGSSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)C[N@H+]1CCC[C@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001040394815 691242099 /nfs/dbraw/zinc/24/20/99/691242099.db2.gz LQNUUMVORZNDOD-HKUYNNGSSA-N 1 3 321.509 2.299 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2)N(C)C ZINC001040398394 691242632 /nfs/dbraw/zinc/24/26/32/691242632.db2.gz HMNKEBWAAZMZCI-WMZOPIPTSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2)N(C)C ZINC001040398394 691242636 /nfs/dbraw/zinc/24/26/36/691242636.db2.gz HMNKEBWAAZMZCI-WMZOPIPTSA-N 1 3 307.482 2.051 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CC)CC2 ZINC001040953548 691300443 /nfs/dbraw/zinc/30/04/43/691300443.db2.gz PEYQBIRDISUAOP-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001041358164 691366594 /nfs/dbraw/zinc/36/65/94/691366594.db2.gz LPZQOHYGWOOIHB-MJGOQNOKSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001041358164 691366596 /nfs/dbraw/zinc/36/65/96/691366596.db2.gz LPZQOHYGWOOIHB-MJGOQNOKSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CC3CCC3)C2)C1)N(C)C ZINC001041401403 691371579 /nfs/dbraw/zinc/37/15/79/691371579.db2.gz AXBUYIPVUYYYMC-SJLPKXTDSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1)N(C)C ZINC001041401403 691371580 /nfs/dbraw/zinc/37/15/80/691371580.db2.gz AXBUYIPVUYYYMC-SJLPKXTDSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001041845236 691444560 /nfs/dbraw/zinc/44/45/60/691444560.db2.gz VYQXKMRQVSFOMZ-LJQANCHMSA-N 1 3 315.461 2.306 20 0 DEADHO CC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001041845236 691444561 /nfs/dbraw/zinc/44/45/61/691444561.db2.gz VYQXKMRQVSFOMZ-LJQANCHMSA-N 1 3 315.461 2.306 20 0 DEADHO C([C@@H]1CCC2(CCOCC2)O1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000883430122 691507530 /nfs/dbraw/zinc/50/75/30/691507530.db2.gz NKASDFJNOMATQZ-YESZJQIVSA-N 1 3 308.466 2.179 20 0 DEADHO CC[C@H](CNC(=O)[C@@H]([NH3+])CC1CC1)N1CCc2ccccc2C1 ZINC000884188902 691677800 /nfs/dbraw/zinc/67/78/00/691677800.db2.gz RSUACOUYMBGYIV-MSOLQXFVSA-N 1 3 315.461 2.067 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H]([NH3+])CC2CC2)N2CCCC2)cc1 ZINC000884203736 691681844 /nfs/dbraw/zinc/68/18/44/691681844.db2.gz CXZPPWBNTJQKPH-ROUUACIJSA-N 1 3 315.461 2.376 20 0 DEADHO Cc1ccc(NC(=O)[C@@H](N)CC2CC2)c(OCC[NH+](C)C)c1 ZINC000884223175 691686015 /nfs/dbraw/zinc/68/60/15/691686015.db2.gz JXWDIJDOQQJROV-AWEZNQCLSA-N 1 3 305.422 2.001 20 0 DEADHO C[NH2+][C@@H](CC(C)C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000884222107 691686089 /nfs/dbraw/zinc/68/60/89/691686089.db2.gz ISGTZAIDWJOEEJ-MSOLQXFVSA-N 1 3 317.477 2.401 20 0 DEADHO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H](N)CC3CC3)cc21 ZINC000884224159 691686550 /nfs/dbraw/zinc/68/65/50/691686550.db2.gz IXOBSUZSQGKKIR-INIZCTEOSA-N 1 3 314.433 2.269 20 0 DEADHO C[NH2+][C@@H](CC(C)C)C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000884306085 691705417 /nfs/dbraw/zinc/70/54/17/691705417.db2.gz SMIRJDPSKDLBGC-KRWDZBQOSA-N 1 3 305.466 2.211 20 0 DEADHO CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CN(CC2CCCCCC2)C1 ZINC001044188354 691786066 /nfs/dbraw/zinc/78/60/66/691786066.db2.gz IVRHAQQQGJWJKW-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(CC2CCCCCC2)C1 ZINC001044188354 691786068 /nfs/dbraw/zinc/78/60/68/691786068.db2.gz IVRHAQQQGJWJKW-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CC2CC2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001044742207 691880662 /nfs/dbraw/zinc/88/06/62/691880662.db2.gz GWZNLYIREWSWJX-HOCLYGCPSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]Cc2ccsc2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044756933 691882506 /nfs/dbraw/zinc/88/25/06/691882506.db2.gz RUYYTFMSFSPQCJ-TZMCWYRMSA-N 1 3 318.446 2.183 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC1=CCCCC1)C1CC1 ZINC001045067103 691934789 /nfs/dbraw/zinc/93/47/89/691934789.db2.gz FRCVOOZWVNWMOB-ZWKOTPCHSA-N 1 3 319.493 2.408 20 0 DEADHO CN(CCSC(F)(F)F)CC[N@H+](C)C1CCN(C)CC1 ZINC000886090025 692001115 /nfs/dbraw/zinc/00/11/15/692001115.db2.gz OCBKCFWBPAFOSZ-UHFFFAOYSA-N 1 3 313.433 2.197 20 0 DEADHO CN(CCSC(F)(F)F)CC[N@@H+](C)C1CCN(C)CC1 ZINC000886090025 692001118 /nfs/dbraw/zinc/00/11/18/692001118.db2.gz OCBKCFWBPAFOSZ-UHFFFAOYSA-N 1 3 313.433 2.197 20 0 DEADHO CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001045964364 692063712 /nfs/dbraw/zinc/06/37/12/692063712.db2.gz HLOLQHNXTWSQLC-AEFFLSMTSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001045964364 692063717 /nfs/dbraw/zinc/06/37/17/692063717.db2.gz HLOLQHNXTWSQLC-AEFFLSMTSA-N 1 3 309.498 2.297 20 0 DEADHO OC[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CC1 ZINC000886548064 692106862 /nfs/dbraw/zinc/10/68/62/692106862.db2.gz WREAONRVEURDSY-DSLXNQLJSA-N 1 3 300.446 2.400 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@H+](CC2CCC2)C1 ZINC001046316014 692150144 /nfs/dbraw/zinc/15/01/44/692150144.db2.gz MDCCURWLEKWEFH-SJLPKXTDSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@@H+](CC2CCC2)C1 ZINC001046316014 692150146 /nfs/dbraw/zinc/15/01/46/692150146.db2.gz MDCCURWLEKWEFH-SJLPKXTDSA-N 1 3 307.482 2.240 20 0 DEADHO CC[NH+]1CCC([C@H]2CCCN(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001047255540 692403236 /nfs/dbraw/zinc/40/32/36/692403236.db2.gz ARKOQCMBVLSWMQ-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]([NH2+]CC1CCCC1)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047864272 692502885 /nfs/dbraw/zinc/50/28/85/692502885.db2.gz LNDXVPYBYIYXLH-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]([NH2+]CC1CCC1)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001047975908 692526346 /nfs/dbraw/zinc/52/63/46/692526346.db2.gz PGFDYYFXUKAZGO-RDJZCZTQSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CC1CCCC1 ZINC001048279226 692589714 /nfs/dbraw/zinc/58/97/14/692589714.db2.gz HSWHPLGYEYLNIM-DOTOQJQBSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001048478505 692626907 /nfs/dbraw/zinc/62/69/07/692626907.db2.gz GSJHKWUVGQKMPM-CRAIPNDOSA-N 1 3 317.477 2.454 20 0 DEADHO CC(C)[NH2+]C[C@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001048481616 692627426 /nfs/dbraw/zinc/62/74/26/692627426.db2.gz ZWYIRBYWNPTABZ-WBVHZDCISA-N 1 3 317.477 2.454 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC ZINC001048531587 692640827 /nfs/dbraw/zinc/64/08/27/692640827.db2.gz TYPLXHYNTHWXOC-YYIAUSFCSA-N 1 3 307.482 2.240 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC ZINC001048531587 692640829 /nfs/dbraw/zinc/64/08/29/692640829.db2.gz TYPLXHYNTHWXOC-YYIAUSFCSA-N 1 3 307.482 2.240 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCCC3CCC3)C[C@@H]2C1)N(C)C ZINC001048888589 692716629 /nfs/dbraw/zinc/71/66/29/692716629.db2.gz RQOOVZWJBDHIEH-FGTMMUONSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CCCC3CCC3)C[C@@H]2C1)N(C)C ZINC001048888589 692716632 /nfs/dbraw/zinc/71/66/32/692716632.db2.gz RQOOVZWJBDHIEH-FGTMMUONSA-N 1 3 321.509 2.297 20 0 DEADHO CCC[N@H+]1C[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC001049232762 692795456 /nfs/dbraw/zinc/79/54/56/692795456.db2.gz YECCQZNXVQGPGJ-HDICACEKSA-N 1 3 315.461 2.162 20 0 DEADHO CCC[N@@H+]1C[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC001049232762 692795462 /nfs/dbraw/zinc/79/54/62/692795462.db2.gz YECCQZNXVQGPGJ-HDICACEKSA-N 1 3 315.461 2.162 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CC1)N(C)C ZINC001049535231 692915455 /nfs/dbraw/zinc/91/54/55/692915455.db2.gz ZGWGWJGRWNFNJJ-IKGGRYGDSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CC1)N(C)C ZINC001049535231 692915458 /nfs/dbraw/zinc/91/54/58/692915458.db2.gz ZGWGWJGRWNFNJJ-IKGGRYGDSA-N 1 3 307.482 2.048 20 0 DEADHO CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1CN(C)C ZINC001049916815 693047390 /nfs/dbraw/zinc/04/73/90/693047390.db2.gz FUADSKAZFLOLAL-QZTJIDSGSA-N 1 3 315.461 2.447 20 0 DEADHO CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1CN(C)C ZINC001049916815 693047391 /nfs/dbraw/zinc/04/73/91/693047391.db2.gz FUADSKAZFLOLAL-QZTJIDSGSA-N 1 3 315.461 2.447 20 0 DEADHO CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001050104668 693109038 /nfs/dbraw/zinc/10/90/38/693109038.db2.gz XYAQPOYIHMRPPD-KSZLIROESA-N 1 3 319.493 2.194 20 0 DEADHO CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001050104668 693109040 /nfs/dbraw/zinc/10/90/40/693109040.db2.gz XYAQPOYIHMRPPD-KSZLIROESA-N 1 3 319.493 2.194 20 0 DEADHO CC[C@@H]([NH2+]CCCN1CCN(CC)CC1)c1cccc(OC)n1 ZINC000924658021 693166224 /nfs/dbraw/zinc/16/62/24/693166224.db2.gz JCMHOVCMXAHRKE-MRXNPFEDSA-N 1 3 320.481 2.159 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H]2CCc3c2nccc3Cl)CC1 ZINC000924664121 693167583 /nfs/dbraw/zinc/16/75/83/693167583.db2.gz ZQHGDTMAQUUQKZ-MRXNPFEDSA-N 1 3 322.884 2.340 20 0 DEADHO C[NH+]1CCC(O)(CN[C@@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000925118671 693228464 /nfs/dbraw/zinc/22/84/64/693228464.db2.gz UHJWHTMCTGLCTH-CQSZACIVSA-N 1 3 309.841 2.159 20 0 DEADHO CC(C)C[NH+]1CCC2(CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C2)CC1 ZINC001050766742 693246849 /nfs/dbraw/zinc/24/68/49/693246849.db2.gz VSQLIZJSNPBGDF-IRXDYDNUSA-N 1 3 321.509 2.440 20 0 DEADHO CC1(C)C[C@@H](NCc2ccccc2Cn2cncn2)C[C@@H]([NH3+])C1 ZINC000925533213 693290915 /nfs/dbraw/zinc/29/09/15/693290915.db2.gz YWMLJYUDJUQHLA-SJORKVTESA-N 1 3 313.449 2.322 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@H]1NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000925547507 693294117 /nfs/dbraw/zinc/29/41/17/693294117.db2.gz VZTVLMBOQNUYDH-SUMWQHHRSA-N 1 3 319.424 2.160 20 0 DEADHO C[C@@H](c1ccncc1)N1CCC([NH2+][C@@H]2CCCN[C@H]2C)CC1 ZINC000925608320 693308270 /nfs/dbraw/zinc/30/82/70/693308270.db2.gz VWJHKFBMSAOMDL-RLFYNMQTSA-N 1 3 302.466 2.337 20 0 DEADHO C[C@@H](c1ccncc1)N1CCC(N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925608510 693308311 /nfs/dbraw/zinc/30/83/11/693308311.db2.gz ZCINJSXFMQKGQM-YJBOKZPZSA-N 1 3 314.477 2.481 20 0 DEADHO c1c(CCN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)nc2n1CCS2 ZINC000925650027 693316999 /nfs/dbraw/zinc/31/69/99/693316999.db2.gz QYRUMTATQQBEDS-HZPDHXFCSA-N 1 3 320.506 2.289 20 0 DEADHO c1c(CC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)nc2n1CCS2 ZINC000925650027 693317005 /nfs/dbraw/zinc/31/70/05/693317005.db2.gz QYRUMTATQQBEDS-HZPDHXFCSA-N 1 3 320.506 2.289 20 0 DEADHO O=C([C@@H]1CC[C@H]([NH2+][C@H]2CCNC23CCC3)C1)N1CCCCC1 ZINC000925656782 693319052 /nfs/dbraw/zinc/31/90/52/693319052.db2.gz ZOPGTZIROZICIF-PMPSAXMXSA-N 1 3 305.466 2.042 20 0 DEADHO FC(F)CN1CCC[C@@H]1CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925722165 693330130 /nfs/dbraw/zinc/33/01/30/693330130.db2.gz HDOJHYDFWYAYEX-BZUAXINKSA-N 1 3 315.452 2.474 20 0 DEADHO FC(F)CN1CCC[C@@H]1C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925722165 693330132 /nfs/dbraw/zinc/33/01/32/693330132.db2.gz HDOJHYDFWYAYEX-BZUAXINKSA-N 1 3 315.452 2.474 20 0 DEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCC2(CCOCC2)CO1 ZINC000925774955 693339851 /nfs/dbraw/zinc/33/98/51/693339851.db2.gz YUPULXMJJBEBRB-BBWFWOEESA-N 1 3 310.482 2.459 20 0 DEADHO CC1(C)[C@H](NC[C@@H]2CC[C@H](C(F)(F)F)O2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925805945 693345066 /nfs/dbraw/zinc/34/50/66/693345066.db2.gz MUVIOPAXQHBANJ-CKIKVBCHSA-N 1 3 306.372 2.463 20 0 DEADHO C[C@@H](NC[C@]12CCC[C@H]1[NH2+]CC2)c1cccc(-n2ccnn2)c1 ZINC000925842233 693351412 /nfs/dbraw/zinc/35/14/12/693351412.db2.gz YYZFKAXOVUGOSO-ZTFGCOKTSA-N 1 3 311.433 2.450 20 0 DEADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cnn(C2CCC2)c1 ZINC000926358521 693436217 /nfs/dbraw/zinc/43/62/17/693436217.db2.gz ZXHXXWVPQCJKSO-HNNXBMFYSA-N 1 3 319.497 2.285 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000926442698 693449803 /nfs/dbraw/zinc/44/98/03/693449803.db2.gz LLFBCTMOHYVULG-AHBTXELCSA-N 1 3 300.446 2.082 20 0 DEADHO COc1cc([C@H](C)NCC2CC[NH+](C3CCOCC3)CC2)on1 ZINC000926675865 693490306 /nfs/dbraw/zinc/49/03/06/693490306.db2.gz JHWNMBPPLLEFHY-ZDUSSCGKSA-N 1 3 323.437 2.225 20 0 DEADHO C[C@@H](NC[C@@H]1CN(C2CC2)C(=O)O1)c1cccc(C[NH+](C)C)c1 ZINC000926674141 693490610 /nfs/dbraw/zinc/49/06/10/693490610.db2.gz MQMZEKGIUKENCG-CXAGYDPISA-N 1 3 317.433 2.382 20 0 DEADHO COc1ccnc([C@H](C)N[C@@H](C)CN(C)CCC[NH+](C)C)c1 ZINC000926686904 693492477 /nfs/dbraw/zinc/49/24/77/693492477.db2.gz SINNSIICTYPXAC-GJZGRUSLSA-N 1 3 308.470 2.013 20 0 DEADHO O[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C1CCN(CC2CC2)CC1 ZINC000927141358 693559730 /nfs/dbraw/zinc/55/97/30/693559730.db2.gz IGBGQZJKZLYCRH-MOPGFXCFSA-N 1 3 300.446 2.499 20 0 DEADHO OC[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000927146822 693560436 /nfs/dbraw/zinc/56/04/36/693560436.db2.gz ZBUJPMXVOVESPY-FKSLSLAPSA-N 1 3 300.446 2.400 20 0 DEADHO CC[C@H](C)C[NH+]1CCC2(C[C@H]2NC(=O)CN(C)C(C)C)CC1 ZINC001402226716 1162297569 /nfs/dbraw/zinc/29/75/69/1162297569.db2.gz BYIOBCHWPJPHMV-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)C1)N(C)C ZINC001402509905 1162374831 /nfs/dbraw/zinc/37/48/31/1162374831.db2.gz DJPNMWKVYHITOF-JYJNAYRXSA-N 1 3 323.868 2.417 20 0 DEADHO CCC[C@@H]1CC(=O)N(CN2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)C1 ZINC001352759805 1151776083 /nfs/dbraw/zinc/77/60/83/1151776083.db2.gz GNIJVSAEKOUVJD-YYIAUSFCSA-N 1 3 307.482 2.255 20 0 DEADHO Cc1ccc(F)c(CN[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)c1 ZINC001402801574 1162476497 /nfs/dbraw/zinc/47/64/97/1162476497.db2.gz ZEBALIFRQSQDTN-WMLDXEAASA-N 1 3 321.440 2.022 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)c1cccc(C)c1)N(C)C ZINC001379416194 1152621224 /nfs/dbraw/zinc/62/12/24/1152621224.db2.gz KAWLRQJWILLJFB-VYDXJSESSA-N 1 3 305.466 2.491 20 0 DEADHO Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001379687148 1152673261 /nfs/dbraw/zinc/67/32/61/1152673261.db2.gz YDSRVDUNXDEFPZ-MRXNPFEDSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001379687148 1152673263 /nfs/dbraw/zinc/67/32/63/1152673263.db2.gz YDSRVDUNXDEFPZ-MRXNPFEDSA-N 1 3 317.477 2.416 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC001379808186 1152699054 /nfs/dbraw/zinc/69/90/54/1152699054.db2.gz QETDILYDPHYNQP-DLBZAZTESA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)CCN1CC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001380007791 1152729497 /nfs/dbraw/zinc/72/94/97/1152729497.db2.gz IWMNWTNKFLNLQW-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001380007791 1152729499 /nfs/dbraw/zinc/72/94/99/1152729499.db2.gz IWMNWTNKFLNLQW-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001380007791 1152729501 /nfs/dbraw/zinc/72/95/01/1152729501.db2.gz IWMNWTNKFLNLQW-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@H+](C[C@@H](F)CC)C2)C1 ZINC001380208637 1152768725 /nfs/dbraw/zinc/76/87/25/1152768725.db2.gz YPEFDHYQJFEYCI-DOTOQJQBSA-N 1 3 313.461 2.001 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@@H+](C[C@@H](F)CC)C2)C1 ZINC001380208637 1152768727 /nfs/dbraw/zinc/76/87/27/1152768727.db2.gz YPEFDHYQJFEYCI-DOTOQJQBSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@@H](C(=O)N[C@]1(C)CC[N@H+](CC2CCC2)C1)N(CC)CC ZINC001380363969 1152798535 /nfs/dbraw/zinc/79/85/35/1152798535.db2.gz XUPJZAGIIDWMOG-FUHWJXTLSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)N[C@]1(C)CC[N@@H+](CC2CCC2)C1)N(CC)CC ZINC001380363969 1152798539 /nfs/dbraw/zinc/79/85/39/1152798539.db2.gz XUPJZAGIIDWMOG-FUHWJXTLSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](CC[NH+](C)C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001362330611 1152879246 /nfs/dbraw/zinc/87/92/46/1152879246.db2.gz ZVAZZHGYRUVBPY-RYRKJORJSA-N 1 3 317.477 2.211 20 0 DEADHO CC[C@H](F)CN(C)CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001380991429 1152890644 /nfs/dbraw/zinc/89/06/44/1152890644.db2.gz ZAJWVZWHGHYZDH-HOTGVXAUSA-N 1 3 315.477 2.389 20 0 DEADHO CC[C@H](F)CN(C)CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001380991429 1152890645 /nfs/dbraw/zinc/89/06/45/1152890645.db2.gz ZAJWVZWHGHYZDH-HOTGVXAUSA-N 1 3 315.477 2.389 20 0 DEADHO CCC(CC)C[NH+]1CC([C@@H](C)NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001381825155 1153240173 /nfs/dbraw/zinc/24/01/73/1153240173.db2.gz REGRJWAGWPCNDD-HUUCEWRRSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001381939143 1153281555 /nfs/dbraw/zinc/28/15/55/1153281555.db2.gz VYQSCDRIDSAGMR-YESZJQIVSA-N 1 3 309.498 2.199 20 0 DEADHO Cc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)CN(C)C2CCC2)c1 ZINC001382088364 1153352950 /nfs/dbraw/zinc/35/29/50/1153352950.db2.gz HQJWBMXEPKLJRO-INIZCTEOSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1ccc(CC[NH2+][C@H](C)CN(C)C(=O)CN(C)C(C)C)cc1 ZINC001382169824 1153387119 /nfs/dbraw/zinc/38/71/19/1153387119.db2.gz XBRSJOTZCQHYFA-QGZVFWFLSA-N 1 3 319.493 2.314 20 0 DEADHO CN(Cc1cn(C)nc1C1CCOCC1)CC1CC[NH+](C)CC1 ZINC001363431921 1153399726 /nfs/dbraw/zinc/39/97/26/1153399726.db2.gz WDJPHDOMAOSMQN-UHFFFAOYSA-N 1 3 320.481 2.088 20 0 DEADHO CNc1ccccc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC001363435488 1153400985 /nfs/dbraw/zinc/40/09/85/1153400985.db2.gz YTWRSBUSJGHFPN-APWZRJJASA-N 1 3 316.493 2.186 20 0 DEADHO CCC(CC)C[NH2+][C@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC001382371279 1153438313 /nfs/dbraw/zinc/43/83/13/1153438313.db2.gz VFAFRDBJYLOIEU-HNNXBMFYSA-N 1 3 306.454 2.215 20 0 DEADHO C[C@H]([NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21)C1CN(C(=O)OC(C)(C)C)C1 ZINC001363940888 1153733335 /nfs/dbraw/zinc/73/33/35/1153733335.db2.gz QESYYVQTVCYIJA-WMHQRMGPSA-N 1 3 323.481 2.172 20 0 DEADHO Cc1cc(C[NH2+][C@H](C)CNC(=O)C2(N(C)C)CCC2)cs1 ZINC001403023140 1162634628 /nfs/dbraw/zinc/63/46/28/1162634628.db2.gz HXGILTNCBQWTMA-GFCCVEGCSA-N 1 3 309.479 2.135 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C[C@@H]1CCN1CCC1CC1)[NH+]1CCCC1 ZINC001388668555 1155062666 /nfs/dbraw/zinc/06/26/66/1155062666.db2.gz ZCRWVGYEQFPCAF-ROUUACIJSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CC2)CC(C)(C)C1)N(C)C ZINC001388840020 1155130416 /nfs/dbraw/zinc/13/04/16/1155130416.db2.gz PFVHBWBFJJBEIV-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1)N(C)C ZINC001388840020 1155130424 /nfs/dbraw/zinc/13/04/24/1155130424.db2.gz PFVHBWBFJJBEIV-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001389510566 1155358205 /nfs/dbraw/zinc/35/82/05/1155358205.db2.gz NHZXUPZQBRAWII-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001389510566 1155358210 /nfs/dbraw/zinc/35/82/10/1155358210.db2.gz NHZXUPZQBRAWII-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC12CC[NH+](CCC1CC1)CC2)N(C)C ZINC001389526662 1155362337 /nfs/dbraw/zinc/36/23/37/1155362337.db2.gz PCXMRPMCMJYRDT-DLBZAZTESA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1)N(C)C ZINC001389859360 1155455157 /nfs/dbraw/zinc/45/51/57/1155455157.db2.gz JNGCFACSXFSYAI-KKUMJFAQSA-N 1 3 309.479 2.071 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1)N(C)C ZINC001389901714 1155466936 /nfs/dbraw/zinc/46/69/36/1155466936.db2.gz SVXGDMPCLJGZEE-BASLNEPJSA-N 1 3 321.440 2.464 20 0 DEADHO C[C@H](N[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1)c1ccccc1F ZINC001389995666 1155493764 /nfs/dbraw/zinc/49/37/64/1155493764.db2.gz XQOKJJYUHSEWSM-SOUVJXGZSA-N 1 3 321.440 2.465 20 0 DEADHO CC[C@H](C)C[NH2+]C[C@@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001370912781 1155631602 /nfs/dbraw/zinc/63/16/02/1155631602.db2.gz STJANZYFANZHSI-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CCC(F)(F)F ZINC001390725592 1155851069 /nfs/dbraw/zinc/85/10/69/1155851069.db2.gz DBTWVWOQMVPQOQ-CHWSQXEVSA-N 1 3 323.403 2.298 20 0 DEADHO Cc1ccc(F)cc1C[NH2+][C@@H](C)CNC(=O)CN(C)C(C)C ZINC001371473125 1155857821 /nfs/dbraw/zinc/85/78/21/1155857821.db2.gz JHISZFLOFKXXIK-AWEZNQCLSA-N 1 3 309.429 2.069 20 0 DEADHO C[C@@H]1[C@H](C(=O)NCCN(C)Cc2ccc(CF)cc2)CC[N@@H+]1C ZINC001390768407 1155864801 /nfs/dbraw/zinc/86/48/01/1155864801.db2.gz UVKVHBFHWOTYOM-RHSMWYFYSA-N 1 3 321.440 2.044 20 0 DEADHO C[C@@H]1[C@H](C(=O)NCCN(C)Cc2ccc(CF)cc2)CC[N@H+]1C ZINC001390768407 1155864802 /nfs/dbraw/zinc/86/48/02/1155864802.db2.gz UVKVHBFHWOTYOM-RHSMWYFYSA-N 1 3 321.440 2.044 20 0 DEADHO CCN(CCNC(=O)C1CC[NH+](C)CC1)Cc1cccc(F)c1 ZINC001390951805 1156004858 /nfs/dbraw/zinc/00/48/58/1156004858.db2.gz CFLLWNDOVKYNHN-UHFFFAOYSA-N 1 3 321.440 2.106 20 0 DEADHO CCc1cccc(C[N@H+](C)CCNC(=O)C2(N(C)C)CCC2)c1 ZINC001372000409 1156110795 /nfs/dbraw/zinc/11/07/95/1156110795.db2.gz VBQAXEROMZQJBW-UHFFFAOYSA-N 1 3 317.477 2.281 20 0 DEADHO CCc1cccc(C[N@@H+](C)CCNC(=O)C2(N(C)C)CCC2)c1 ZINC001372000409 1156110820 /nfs/dbraw/zinc/11/08/20/1156110820.db2.gz VBQAXEROMZQJBW-UHFFFAOYSA-N 1 3 317.477 2.281 20 0 DEADHO CC(C)[C@H](C(=O)NCC[N@H+](C)[C@H](C)c1ccccc1)N(C)C ZINC001372116122 1156227117 /nfs/dbraw/zinc/22/71/17/1156227117.db2.gz ROTHDAGXZSZIOU-NVXWUHKLSA-N 1 3 305.466 2.382 20 0 DEADHO CC(C)[C@H](C(=O)NCC[N@@H+](C)[C@H](C)c1ccccc1)N(C)C ZINC001372116122 1156227130 /nfs/dbraw/zinc/22/71/30/1156227130.db2.gz ROTHDAGXZSZIOU-NVXWUHKLSA-N 1 3 305.466 2.382 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccsc2)C1 ZINC001391363998 1156361283 /nfs/dbraw/zinc/36/12/83/1156361283.db2.gz XMBDBCLNGDAMEG-OAHLLOKOSA-N 1 3 323.506 2.369 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccsc2)C1 ZINC001391363998 1156361288 /nfs/dbraw/zinc/36/12/88/1156361288.db2.gz XMBDBCLNGDAMEG-OAHLLOKOSA-N 1 3 323.506 2.369 20 0 DEADHO Cc1cccc([C@H](C)N2CC(CNC(=O)CCC[NH+](C)C)C2)c1 ZINC001391494797 1156466074 /nfs/dbraw/zinc/46/60/74/1156466074.db2.gz DQJOWZMNRNDFHC-INIZCTEOSA-N 1 3 317.477 2.446 20 0 DEADHO Cc1cc(CN2CC[C@@H](N(C)C(=O)CC[NH+](C)C)C2)c(C)s1 ZINC001391619483 1156609245 /nfs/dbraw/zinc/60/92/45/1156609245.db2.gz JAJRPEVTZSIDFS-MRXNPFEDSA-N 1 3 323.506 2.349 20 0 DEADHO CC[C@H](F)C[N@@H+]1CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001372663988 1156652859 /nfs/dbraw/zinc/65/28/59/1156652859.db2.gz TWZRZGWUAYFPKK-GJZGRUSLSA-N 1 3 315.477 2.151 20 0 DEADHO CC[C@H](F)C[N@H+]1CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001372663988 1156652886 /nfs/dbraw/zinc/65/28/86/1156652886.db2.gz TWZRZGWUAYFPKK-GJZGRUSLSA-N 1 3 315.477 2.151 20 0 DEADHO CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)NCc1ccns1 ZINC001391757314 1156780830 /nfs/dbraw/zinc/78/08/30/1156780830.db2.gz ZBQMNWRAMVNYIA-AWEZNQCLSA-N 1 3 324.494 2.004 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CC1CCCCC1 ZINC001391927098 1156834971 /nfs/dbraw/zinc/83/49/71/1156834971.db2.gz VDKLHFRDMDKISD-OAHLLOKOSA-N 1 3 309.498 2.393 20 0 DEADHO CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001373035839 1156843762 /nfs/dbraw/zinc/84/37/62/1156843762.db2.gz QKWOSTKRQXTBQY-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]CC[C@H](C)F)CCCC1)N(C)C ZINC001392025052 1156851751 /nfs/dbraw/zinc/85/17/51/1156851751.db2.gz VDILDJNSKGLDPF-KBPBESRZSA-N 1 3 301.450 2.093 20 0 DEADHO CC(C)[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccsc1 ZINC001392235376 1156902905 /nfs/dbraw/zinc/90/29/05/1156902905.db2.gz QWAXENGSAIGPCG-INIZCTEOSA-N 1 3 323.506 2.463 20 0 DEADHO CC(C)CC[N@H+](C)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001373327763 1156984839 /nfs/dbraw/zinc/98/48/39/1156984839.db2.gz VOIJUGNNHDGMQW-UHFFFAOYSA-N 1 3 306.454 2.169 20 0 DEADHO CC(C)CC[N@@H+](C)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001373327763 1156984856 /nfs/dbraw/zinc/98/48/56/1156984856.db2.gz VOIJUGNNHDGMQW-UHFFFAOYSA-N 1 3 306.454 2.169 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccccc2F)C1 ZINC001403246235 1162826516 /nfs/dbraw/zinc/82/65/16/1162826516.db2.gz QGOOKPFYDRTAFC-OAHLLOKOSA-N 1 3 321.440 2.106 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[N@H+](CC2CCC2)C1)N1CCCC1 ZINC001373386903 1157021175 /nfs/dbraw/zinc/02/11/75/1157021175.db2.gz MXFLROLFHLSZTI-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)C1)N1CCCC1 ZINC001373386903 1157021182 /nfs/dbraw/zinc/02/11/82/1157021182.db2.gz MXFLROLFHLSZTI-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](CN[C@H](C)c1ccccc1F)NC(=O)CCC[NH+](C)C ZINC001392509102 1157083285 /nfs/dbraw/zinc/08/32/85/1157083285.db2.gz ZKOTYSLZVNYZGB-ZIAGYGMSSA-N 1 3 309.429 2.323 20 0 DEADHO CCCC[NH+]1CC(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001373536064 1157085377 /nfs/dbraw/zinc/08/53/77/1157085377.db2.gz DOUIHMHVDQBYBZ-QGZVFWFLSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H](F)CC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001392661358 1157309528 /nfs/dbraw/zinc/30/95/28/1157309528.db2.gz WGQITTRESXRIEB-CABCVRRESA-N 1 3 315.477 2.436 20 0 DEADHO C[C@@H](F)CC[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001392661358 1157309534 /nfs/dbraw/zinc/30/95/34/1157309534.db2.gz WGQITTRESXRIEB-CABCVRRESA-N 1 3 315.477 2.436 20 0 DEADHO COc1cccc([C@@H](C)N(C)C[C@@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001392685693 1157336214 /nfs/dbraw/zinc/33/62/14/1157336214.db2.gz JQEMNOLCQOPLPE-HUUCEWRRSA-N 1 3 321.465 2.144 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@]1(C[NH2+]CC2CC2)CCCC[C@H]1C ZINC001373903563 1157450204 /nfs/dbraw/zinc/45/02/04/1157450204.db2.gz OFTHFHSHPOVCOB-ACJLOTCBSA-N 1 3 318.465 2.325 20 0 DEADHO CC[C@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001373915005 1157457879 /nfs/dbraw/zinc/45/78/79/1157457879.db2.gz MBPZFBHUPUNWBK-KKUMJFAQSA-N 1 3 313.461 2.236 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCN1CCC1CC1)[NH+]1CCCC1 ZINC001392880336 1157504722 /nfs/dbraw/zinc/50/47/22/1157504722.db2.gz SFMNHQBIBXEWAJ-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CCN1CC1CCC1)[NH+]1CCCC1 ZINC001392881991 1157507796 /nfs/dbraw/zinc/50/77/96/1157507796.db2.gz YUVYVFGSIONVCB-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1ccccc1F ZINC001374032077 1157555690 /nfs/dbraw/zinc/55/56/90/1157555690.db2.gz XLBHSRNSHOAOGT-AWEZNQCLSA-N 1 3 321.440 2.152 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1(C)CC[NH+](CC2CC2)CC1 ZINC001393186103 1157744920 /nfs/dbraw/zinc/74/49/20/1157744920.db2.gz OTSMBRWEOLIMIW-IYBDPMFKSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001374270865 1157789311 /nfs/dbraw/zinc/78/93/11/1157789311.db2.gz JMIYZMUPXHNITK-RHSMWYFYSA-N 1 3 321.440 2.165 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCCC1)C2 ZINC001393370898 1157813587 /nfs/dbraw/zinc/81/35/87/1157813587.db2.gz RXXSOWKHMRWRBK-BZSNNMDCSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCCC1)C2 ZINC001393370898 1157813590 /nfs/dbraw/zinc/81/35/90/1157813590.db2.gz RXXSOWKHMRWRBK-BZSNNMDCSA-N 1 3 321.509 2.486 20 0 DEADHO CC[C@@H](F)C[NH2+]C1(CC)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001393679522 1157898334 /nfs/dbraw/zinc/89/83/34/1157898334.db2.gz LFQXVMRUBLAMSR-OAHLLOKOSA-N 1 3 315.477 2.436 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCC(C)C)C1 ZINC001374561178 1157902686 /nfs/dbraw/zinc/90/26/86/1157902686.db2.gz HZGYUHJTICDFNY-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCC(C)C)C1 ZINC001374561178 1157902701 /nfs/dbraw/zinc/90/27/01/1157902701.db2.gz HZGYUHJTICDFNY-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCC(C)C)C1 ZINC001374561174 1157904183 /nfs/dbraw/zinc/90/41/83/1157904183.db2.gz HZGYUHJTICDFNY-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCC(C)C)C1 ZINC001374561174 1157904190 /nfs/dbraw/zinc/90/41/90/1157904190.db2.gz HZGYUHJTICDFNY-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001374834025 1158048870 /nfs/dbraw/zinc/04/88/70/1158048870.db2.gz PUDBKMJQAUIOBQ-NVXWUHKLSA-N 1 3 305.466 2.176 20 0 DEADHO C[C@@H](C[NH2+]Cc1ccsc1)NC(=O)CN(C)CC(C)(C)C ZINC001374933156 1158099240 /nfs/dbraw/zinc/09/92/40/1158099240.db2.gz DWKVKGJCUGZUCR-ZDUSSCGKSA-N 1 3 311.495 2.320 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cc(C)ccc1C)N(C)C ZINC001374962163 1158130910 /nfs/dbraw/zinc/13/09/10/1158130910.db2.gz OVSMUTTXSWRRTL-DOTOQJQBSA-N 1 3 305.466 2.238 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)cc1C ZINC001374962685 1158131455 /nfs/dbraw/zinc/13/14/55/1158131455.db2.gz IOVGBQWXIVZUEI-FUHWJXTLSA-N 1 3 319.493 2.484 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CCc1ccccc1F ZINC001394004275 1158154698 /nfs/dbraw/zinc/15/46/98/1158154698.db2.gz PLEYKPWMZPONRI-LSDHHAIUSA-N 1 3 323.456 2.191 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)CN(C)Cc1cccc(F)c1)[NH+](C)C ZINC001375148884 1158352929 /nfs/dbraw/zinc/35/29/29/1158352929.db2.gz KBZZIHDQVFALSL-RHSMWYFYSA-N 1 3 323.456 2.348 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001375156195 1158359119 /nfs/dbraw/zinc/35/91/19/1158359119.db2.gz CMVMXLBJINTCSC-KBPBESRZSA-N 1 3 319.440 2.199 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001375156195 1158359129 /nfs/dbraw/zinc/35/91/29/1158359129.db2.gz CMVMXLBJINTCSC-KBPBESRZSA-N 1 3 319.440 2.199 20 0 DEADHO CC(C)[C@@H](CCN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]CC1CC1 ZINC001394195516 1158361256 /nfs/dbraw/zinc/36/12/56/1158361256.db2.gz ZAQCBYZRMGPNIE-NVXWUHKLSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@@H](F)CN1CCCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001394217084 1158378029 /nfs/dbraw/zinc/37/80/29/1158378029.db2.gz RKAGLQFJIJCFHC-HUUCEWRRSA-N 1 3 301.450 2.047 20 0 DEADHO Cc1ccc(CN2CC([C@@H](C)NC(=O)CC[NH+](C)C)C2)c(C)c1 ZINC001394250179 1158395647 /nfs/dbraw/zinc/39/56/47/1158395647.db2.gz MPTFCVPTQADBDQ-MRXNPFEDSA-N 1 3 317.477 2.192 20 0 DEADHO C[NH+](C)CC1(C(=O)NC[C@H]2CCN2CCCC(C)(C)C)CC1 ZINC001375336510 1158503049 /nfs/dbraw/zinc/50/30/49/1158503049.db2.gz VOWODTXQLGIKKD-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]Cc1ccccc1 ZINC001394495130 1158586279 /nfs/dbraw/zinc/58/62/79/1158586279.db2.gz JBNGYXORSCDWEW-OAHLLOKOSA-N 1 3 303.450 2.107 20 0 DEADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001394532502 1158615437 /nfs/dbraw/zinc/61/54/37/1158615437.db2.gz ZNDKOTSIWMNBIW-YOEHRIQHSA-N 1 3 323.456 2.411 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)NC/C=C/Cl)[NH+]1CCCC1 ZINC001394563736 1158636605 /nfs/dbraw/zinc/63/66/05/1158636605.db2.gz BQAXZNSPOIHADQ-FHFZEBMASA-N 1 3 315.889 2.296 20 0 DEADHO CCc1ccccc1C[NH2+]C1(CNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001375438864 1158679389 /nfs/dbraw/zinc/67/93/89/1158679389.db2.gz ULSFOUQSXSMBRG-QGZVFWFLSA-N 1 3 317.477 2.328 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001375806295 1158877415 /nfs/dbraw/zinc/87/74/15/1158877415.db2.gz PKKLJBHIHZZVAA-IBGZPJMESA-N 1 3 321.509 2.443 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001375806295 1158877417 /nfs/dbraw/zinc/87/74/17/1158877417.db2.gz PKKLJBHIHZZVAA-IBGZPJMESA-N 1 3 321.509 2.443 20 0 DEADHO CC(C)(C(=O)NC[C@@]1(C)CCC[N@H+](CC2CC2)C1)N1CCCC1 ZINC001375948294 1159013808 /nfs/dbraw/zinc/01/38/08/1159013808.db2.gz FVWKCNSKUVENDJ-LJQANCHMSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)(C(=O)NC[C@@]1(C)CCC[N@@H+](CC2CC2)C1)N1CCCC1 ZINC001375948294 1159013817 /nfs/dbraw/zinc/01/38/17/1159013817.db2.gz FVWKCNSKUVENDJ-LJQANCHMSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1)N(C)C ZINC001376377908 1159372061 /nfs/dbraw/zinc/37/20/61/1159372061.db2.gz ODGXSJGXYGCXGP-ULQDDVLXSA-N 1 3 309.498 2.249 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001376461369 1159444802 /nfs/dbraw/zinc/44/48/02/1159444802.db2.gz GFUJFZCUDSCLBJ-KSZLIROESA-N 1 3 317.477 2.318 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]C/C=C\Cl ZINC001403624088 1163056616 /nfs/dbraw/zinc/05/66/16/1163056616.db2.gz NVJXYZGTKLMFHW-TXKQXAOOSA-N 1 3 301.862 2.050 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCc1ccccc1F ZINC001376716946 1159719107 /nfs/dbraw/zinc/71/91/07/1159719107.db2.gz KRYKNMZQZVVBOY-RHSMWYFYSA-N 1 3 321.440 2.293 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCc1ccccc1F ZINC001376716946 1159719118 /nfs/dbraw/zinc/71/91/18/1159719118.db2.gz KRYKNMZQZVVBOY-RHSMWYFYSA-N 1 3 321.440 2.293 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]C/C=C/Cl)CCC1 ZINC001376734839 1159741281 /nfs/dbraw/zinc/74/12/81/1159741281.db2.gz HUXLDYJQXSOHCL-VZUFXWRPSA-N 1 3 313.873 2.240 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001376843699 1159820455 /nfs/dbraw/zinc/82/04/55/1159820455.db2.gz CCXIMJJNAHAMDI-HNNXBMFYSA-N 1 3 317.477 2.111 20 0 DEADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(F)cc1 ZINC001377443572 1160372266 /nfs/dbraw/zinc/37/22/66/1160372266.db2.gz FLMBYQOWMZHNFJ-AWEZNQCLSA-N 1 3 321.440 2.294 20 0 DEADHO CC[C@H](C(=O)N(C)CC[NH2+][C@H]1CCCc2ccccc21)N(C)C ZINC001377575620 1160559164 /nfs/dbraw/zinc/55/91/64/1160559164.db2.gz QIUFSUBVXFYLTF-ZWKOTPCHSA-N 1 3 317.477 2.452 20 0 DEADHO CC[N@H+](C)CCC(=O)N(C)CCN[C@H](C)c1ccccc1F ZINC001377595591 1160574980 /nfs/dbraw/zinc/57/49/80/1160574980.db2.gz OMDSOKFKAVFRCE-CQSZACIVSA-N 1 3 309.429 2.277 20 0 DEADHO CC[N@@H+](C)CCC(=O)N(C)CCN[C@H](C)c1ccccc1F ZINC001377595591 1160574991 /nfs/dbraw/zinc/57/49/91/1160574991.db2.gz OMDSOKFKAVFRCE-CQSZACIVSA-N 1 3 309.429 2.277 20 0 DEADHO C[C@H](NC(=O)CN(C)CC(C)(C)C)[C@H](C)[NH2+]C/C=C/Cl ZINC001377858475 1160853408 /nfs/dbraw/zinc/85/34/08/1160853408.db2.gz SABQBIJSMWXDER-FVWNJDPFSA-N 1 3 303.878 2.200 20 0 DEADHO C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)NCc1ccns1 ZINC001377918747 1160871395 /nfs/dbraw/zinc/87/13/95/1160871395.db2.gz VLOVFIJVWWHCTA-UONOGXRCSA-N 1 3 324.494 2.002 20 0 DEADHO CC1CC(C[NH2+][C@H](CNC(=O)C2(N(C)C)CCC2)C2CC2)C1 ZINC001398396570 1160876070 /nfs/dbraw/zinc/87/60/70/1160876070.db2.gz FFNRNSUDWYIIDU-ZBCRRDGASA-N 1 3 307.482 2.001 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]([NH2+]CCC(C)(C)C)C2CC2)CCC1 ZINC001398404231 1160878987 /nfs/dbraw/zinc/87/89/87/1160878987.db2.gz KCFUEVCUUOHQSU-HNNXBMFYSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)(C(=O)NC[C@H]([NH2+]CCC1CC1)C1CC1)N1CCCC1 ZINC001398441693 1160891382 /nfs/dbraw/zinc/89/13/82/1160891382.db2.gz WZWJKOAWHBXVPF-INIZCTEOSA-N 1 3 307.482 2.145 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H](C[N@H+](C)C/C=C/Cl)C1 ZINC001398460376 1160898035 /nfs/dbraw/zinc/89/80/35/1160898035.db2.gz PYKJOVFRSAETFR-YKHJJTLOSA-N 1 3 313.873 2.004 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)C/C=C/Cl)C1 ZINC001398460376 1160898036 /nfs/dbraw/zinc/89/80/36/1160898036.db2.gz PYKJOVFRSAETFR-YKHJJTLOSA-N 1 3 313.873 2.004 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3F)C2)CCC1 ZINC001398541884 1160960422 /nfs/dbraw/zinc/96/04/22/1160960422.db2.gz VWNJZHNEWGBGAK-SHTZXODSSA-N 1 3 319.424 2.047 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001398559726 1160976751 /nfs/dbraw/zinc/97/67/51/1160976751.db2.gz GFUJFZCUDSCLBJ-BZSNNMDCSA-N 1 3 317.477 2.318 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@H+](CC(C)C)CC[C@@H]21 ZINC001398589478 1161004557 /nfs/dbraw/zinc/00/45/57/1161004557.db2.gz VBIJFXXVDUVZAG-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@@H+](CC(C)C)CC[C@@H]21 ZINC001398589478 1161004565 /nfs/dbraw/zinc/00/45/65/1161004565.db2.gz VBIJFXXVDUVZAG-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1)CC(C)(C)C ZINC001398619124 1161021679 /nfs/dbraw/zinc/02/16/79/1161021679.db2.gz DBSPVZZCSBRLJO-CALCHBBNSA-N 1 3 317.477 2.401 20 0 DEADHO CC(C)N(C)CC(=O)NC1CCC([NH2+]CC[C@@H](C)F)CC1 ZINC001398836850 1161117833 /nfs/dbraw/zinc/11/78/33/1161117833.db2.gz BDTYNVICDFGNHM-WLYUNCDWSA-N 1 3 301.450 2.092 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001398919573 1161151356 /nfs/dbraw/zinc/15/13/56/1161151356.db2.gz KJQZVBDELWGLME-YOEHRIQHSA-N 1 3 321.440 2.293 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@@H](C)NC/C(Cl)=C/Cl)[NH+](C)C ZINC001399418490 1161385042 /nfs/dbraw/zinc/38/50/42/1161385042.db2.gz MCDLFYSFYTUUET-GROCXKSISA-N 1 3 324.296 2.376 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccccc1)N(C)C ZINC001399420411 1161385995 /nfs/dbraw/zinc/38/59/95/1161385995.db2.gz RBENIQPRTFBSKN-DOTOQJQBSA-N 1 3 305.466 2.257 20 0 DEADHO Cc1cccc([C@H](C)[NH2+]CCN(C)C(=O)CN(C)C(C)C)c1 ZINC001400097926 1161652652 /nfs/dbraw/zinc/65/26/52/1161652652.db2.gz YPYSAMGHVOGLOQ-INIZCTEOSA-N 1 3 305.466 2.444 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC2C[NH+](CCCC(C)(C)C)C2)C1 ZINC001400535096 1161764561 /nfs/dbraw/zinc/76/45/61/1161764561.db2.gz ZNIITSQABCDGML-HNNXBMFYSA-N 1 3 309.498 2.203 20 0 DEADHO CC[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CC[C@H](C)F ZINC001400809417 1161825940 /nfs/dbraw/zinc/82/59/40/1161825940.db2.gz UPKBJJYNTYEWFM-GJZGRUSLSA-N 1 3 315.477 2.483 20 0 DEADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccc(C)cc1 ZINC001400912533 1161845382 /nfs/dbraw/zinc/84/53/82/1161845382.db2.gz HWYZJHXJCRKZEC-QGZVFWFLSA-N 1 3 305.466 2.320 20 0 DEADHO CC(C)(C(=O)NCCC1CCN(CCF)CC1)[NH+]1CCCC1 ZINC001401075747 1161867746 /nfs/dbraw/zinc/86/77/46/1161867746.db2.gz FXHKAYPHANAEDS-UHFFFAOYSA-N 1 3 313.461 2.049 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(F)c1)N(C)C ZINC001401114260 1161876337 /nfs/dbraw/zinc/87/63/37/1161876337.db2.gz FORGMQVQHIRBCP-XJKSGUPXSA-N 1 3 309.429 2.008 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCc1ccccc1)N(C)C ZINC001401767399 1162117761 /nfs/dbraw/zinc/11/77/61/1162117761.db2.gz VNDYTYYWAYJNGL-DOTOQJQBSA-N 1 3 305.466 2.006 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCc1ccccc1)N(C)C ZINC001401767399 1162117763 /nfs/dbraw/zinc/11/77/63/1162117763.db2.gz VNDYTYYWAYJNGL-DOTOQJQBSA-N 1 3 305.466 2.006 20 0 DEADHO CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]Cc2ccccc2)C1)N(C)C ZINC001402167534 1162272296 /nfs/dbraw/zinc/27/22/96/1162272296.db2.gz RFIGQJGEHHWDSY-IEBWSBKVSA-N 1 3 317.477 2.355 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001404078747 1163424825 /nfs/dbraw/zinc/42/48/25/1163424825.db2.gz KAEUCRPGZGGRMY-MRXNPFEDSA-N 1 3 321.509 2.347 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001404078747 1163424836 /nfs/dbraw/zinc/42/48/36/1163424836.db2.gz KAEUCRPGZGGRMY-MRXNPFEDSA-N 1 3 321.509 2.347 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC[N@H+](CCCF)C1CC1 ZINC001404255717 1163535374 /nfs/dbraw/zinc/53/53/74/1163535374.db2.gz DNNORIYDCNMNHK-INIZCTEOSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC[N@@H+](CCCF)C1CC1 ZINC001404255717 1163535379 /nfs/dbraw/zinc/53/53/79/1163535379.db2.gz DNNORIYDCNMNHK-INIZCTEOSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)C[NH+]1CCC(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001405561660 1164150175 /nfs/dbraw/zinc/15/01/75/1164150175.db2.gz QPOOIOQFOQWMQH-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1NC/C(Cl)=C\Cl ZINC001406000195 1164379491 /nfs/dbraw/zinc/37/94/91/1164379491.db2.gz QVCDYDOYZHWFRG-HIZVYSOWSA-N 1 3 322.280 2.084 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001406481704 1164632385 /nfs/dbraw/zinc/63/23/85/1164632385.db2.gz ODNSKURFALCBGX-YOEHRIQHSA-N 1 3 323.456 2.337 20 0 DEADHO C[C@@H](CN(C)Cc1ccc(F)cc1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001406683014 1164789351 /nfs/dbraw/zinc/78/93/51/1164789351.db2.gz BCGDDUYVJHTPDN-HOCLYGCPSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@@H](CN(C)Cc1ccc(F)cc1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001406683014 1164789362 /nfs/dbraw/zinc/78/93/62/1164789362.db2.gz BCGDDUYVJHTPDN-HOCLYGCPSA-N 1 3 321.440 2.104 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccccc1)C1CC1)N(C)C ZINC001406776770 1164825567 /nfs/dbraw/zinc/82/55/67/1164825567.db2.gz MLRPVBVNXVSUMW-ROUUACIJSA-N 1 3 317.477 2.257 20 0 DEADHO Cc1cc(CNC2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)c(C)s1 ZINC001407012870 1164924496 /nfs/dbraw/zinc/92/44/96/1164924496.db2.gz KFDUAQNISPWQRY-CQSZACIVSA-N 1 3 321.490 2.055 20 0 DEADHO Cc1cc(CNC2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)c(C)s1 ZINC001407012870 1164924500 /nfs/dbraw/zinc/92/45/00/1164924500.db2.gz KFDUAQNISPWQRY-CQSZACIVSA-N 1 3 321.490 2.055 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1(C)CC[NH+](CCCF)CC1 ZINC001407128309 1164994670 /nfs/dbraw/zinc/99/46/70/1164994670.db2.gz PXTHDNQXQODTCG-GASCZTMLSA-N 1 3 313.461 2.190 20 0 DEADHO CCC1([NH2+]CC(C)C)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001407992548 1165424604 /nfs/dbraw/zinc/42/46/04/1165424604.db2.gz DYCVKAPNMQBOKU-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2csc(C)c2)[C@@H](C)C1 ZINC001408106727 1165479462 /nfs/dbraw/zinc/47/94/62/1165479462.db2.gz SPZIFSOJSDGKLM-BBRMVZONSA-N 1 3 323.506 2.335 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2csc(C)c2)C1)N(C)C ZINC001417768275 1167199562 /nfs/dbraw/zinc/19/95/62/1167199562.db2.gz FWYIHGRKNCORGI-IMJJTQAJSA-N 1 3 323.506 2.381 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1)N(C)C ZINC001417769197 1167200777 /nfs/dbraw/zinc/20/07/77/1167200777.db2.gz LJSLKDPJRRAXLT-BBWFWOEESA-N 1 3 303.450 2.011 20 0 DEADHO CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001417793262 1167217080 /nfs/dbraw/zinc/21/70/80/1167217080.db2.gz XKFXZZRHPMDFRS-ZQIUZPCESA-N 1 3 313.461 2.093 20 0 DEADHO CC[C@@H](F)C[NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001417810329 1167228893 /nfs/dbraw/zinc/22/88/93/1167228893.db2.gz UWIWQTCDHYKVSH-RRFJBIMHSA-N 1 3 313.461 2.093 20 0 DEADHO C[C@@H]1CN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCN(C2CC2)C1 ZINC001417883745 1167281080 /nfs/dbraw/zinc/28/10/80/1167281080.db2.gz MFKYPJRMIKISLJ-YQQAZPJKSA-N 1 3 307.482 2.050 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCc1cccs1 ZINC001418229423 1167505821 /nfs/dbraw/zinc/50/58/21/1167505821.db2.gz KUFPMSHKQRSCQJ-GDBMZVCRSA-N 1 3 323.506 2.259 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC1CC2(CCC2)C1 ZINC001418277852 1167541906 /nfs/dbraw/zinc/54/19/06/1167541906.db2.gz YPUBBJHXGHKPGK-LSDHHAIUSA-N 1 3 307.482 2.003 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001418301644 1167562278 /nfs/dbraw/zinc/56/22/78/1167562278.db2.gz XUSUSJGUWSPUPV-NSHDSACASA-N 1 3 317.886 2.338 20 0 DEADHO C[C@H](F)CC[N@H+](C)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001418370850 1167602342 /nfs/dbraw/zinc/60/23/42/1167602342.db2.gz DFIJMXMAKOOFMS-GOEBONIOSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@H](F)CC[N@@H+](C)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001418370850 1167602346 /nfs/dbraw/zinc/60/23/46/1167602346.db2.gz DFIJMXMAKOOFMS-GOEBONIOSA-N 1 3 313.461 2.142 20 0 DEADHO CCc1ccc(C[N@H+](C)CCNC(=O)CN(C)C2CCC2)cc1 ZINC001418465087 1167678563 /nfs/dbraw/zinc/67/85/63/1167678563.db2.gz LEWAFIKEMZBIIJ-UHFFFAOYSA-N 1 3 317.477 2.281 20 0 DEADHO CCc1ccc(C[N@@H+](C)CCNC(=O)CN(C)C2CCC2)cc1 ZINC001418465087 1167678567 /nfs/dbraw/zinc/67/85/67/1167678567.db2.gz LEWAFIKEMZBIIJ-UHFFFAOYSA-N 1 3 317.477 2.281 20 0 DEADHO CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001418730974 1167923074 /nfs/dbraw/zinc/92/30/74/1167923074.db2.gz DFSRXEBFQGGZEQ-VBQJREDUSA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1)N(C)C ZINC001418960550 1168097945 /nfs/dbraw/zinc/09/79/45/1168097945.db2.gz VMAIFABTSLWTIY-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1)N(C)C ZINC001418960550 1168097952 /nfs/dbraw/zinc/09/79/52/1168097952.db2.gz VMAIFABTSLWTIY-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[N@H+](C)C[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001419330814 1168405862 /nfs/dbraw/zinc/40/58/62/1168405862.db2.gz GVBIQFQUYSUASA-IAGOWNOFSA-N 1 3 309.498 2.155 20 0 DEADHO CC(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001419330814 1168405865 /nfs/dbraw/zinc/40/58/65/1168405865.db2.gz GVBIQFQUYSUASA-IAGOWNOFSA-N 1 3 309.498 2.155 20 0 DEADHO CC[C@H](C)C[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001419337030 1168409630 /nfs/dbraw/zinc/40/96/30/1168409630.db2.gz QPNGRWGNJQLBCE-GJZGRUSLSA-N 1 3 306.454 2.169 20 0 DEADHO CC[C@H](C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001419337030 1168409637 /nfs/dbraw/zinc/40/96/37/1168409637.db2.gz QPNGRWGNJQLBCE-GJZGRUSLSA-N 1 3 306.454 2.169 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001419523063 1168572059 /nfs/dbraw/zinc/57/20/59/1168572059.db2.gz XLKFVKWNCBVFGV-CALCHBBNSA-N 1 3 303.450 2.074 20 0 DEADHO CC(C)CC[NH2+]C1CCC(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001419678923 1168799365 /nfs/dbraw/zinc/79/93/65/1168799365.db2.gz DMXAYWISCMDGJX-KLAILNCOSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C ZINC001419771916 1168840024 /nfs/dbraw/zinc/84/00/24/1168840024.db2.gz LBBVMAFYOIBELW-CXAGYDPISA-N 1 3 316.449 2.102 20 0 DEADHO Cc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001420006207 1169054587 /nfs/dbraw/zinc/05/45/87/1169054587.db2.gz AVSRTIDFZDRSFM-SFHVURJKSA-N 1 3 317.477 2.273 20 0 DEADHO CN(CC[N@H+](C)CCCC1CCCC1)C(=O)Cc1c[nH]cn1 ZINC001420020424 1169068860 /nfs/dbraw/zinc/06/88/60/1169068860.db2.gz OWGXXQCIRJYGAS-UHFFFAOYSA-N 1 3 306.454 2.313 20 0 DEADHO CN(CC[N@@H+](C)CCCC1CCCC1)C(=O)Cc1c[nH]cn1 ZINC001420020424 1169068870 /nfs/dbraw/zinc/06/88/70/1169068870.db2.gz OWGXXQCIRJYGAS-UHFFFAOYSA-N 1 3 306.454 2.313 20 0 DEADHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC=C(Cl)Cl ZINC001420128405 1169182478 /nfs/dbraw/zinc/18/24/78/1169182478.db2.gz CUYBQKJTLHMJBF-VXGBXAGGSA-N 1 3 322.280 2.132 20 0 DEADHO CCN(CC[NH2+][C@H](C)c1cccc(F)c1)C(=O)[C@@H]1CCCN1C ZINC001420234969 1169266411 /nfs/dbraw/zinc/26/64/11/1169266411.db2.gz IGUVPGITOJEEIE-PBHICJAKSA-N 1 3 321.440 2.419 20 0 DEADHO CCc1ccccc1CN(C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001420334980 1169372622 /nfs/dbraw/zinc/37/26/22/1169372622.db2.gz STNWZJVHVIPYBY-MRXNPFEDSA-N 1 3 317.477 2.139 20 0 DEADHO CCc1ccccc1CN(C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001420334980 1169372630 /nfs/dbraw/zinc/37/26/30/1169372630.db2.gz STNWZJVHVIPYBY-MRXNPFEDSA-N 1 3 317.477 2.139 20 0 DEADHO C[C@H](CNCc1ccns1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001420355826 1169394809 /nfs/dbraw/zinc/39/48/09/1169394809.db2.gz ZOSQIKCQMQXTRX-ZIAGYGMSSA-N 1 3 324.494 2.002 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[N@@H+](C[C@H](C)CC(C)C)C1 ZINC001420558135 1169794961 /nfs/dbraw/zinc/79/49/61/1169794961.db2.gz SOOYUIMVASKGPC-GDBMZVCRSA-N 1 3 320.481 2.381 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001420558135 1169794968 /nfs/dbraw/zinc/79/49/68/1169794968.db2.gz SOOYUIMVASKGPC-GDBMZVCRSA-N 1 3 320.481 2.381 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001420880758 1171315964 /nfs/dbraw/zinc/31/59/64/1171315964.db2.gz WWWUIUHERBPJLL-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001420880758 1171315972 /nfs/dbraw/zinc/31/59/72/1171315972.db2.gz WWWUIUHERBPJLL-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@H+](C)CCC(F)(F)F)C1 ZINC001420949317 1171374460 /nfs/dbraw/zinc/37/44/60/1171374460.db2.gz LZDJGKDGWBBYIK-CYBMUJFWSA-N 1 3 323.403 2.059 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]Cc2ccc(C)c(F)c2)CC1)N(C)C ZINC001420957376 1171379817 /nfs/dbraw/zinc/37/98/17/1171379817.db2.gz WILJZEVNBLPWBM-MRXNPFEDSA-N 1 3 321.440 2.213 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2cccc(C)c2)CC1)N(C)C ZINC001420973017 1171391943 /nfs/dbraw/zinc/39/19/43/1171391943.db2.gz ZGTTXBKLSNGPDO-INIZCTEOSA-N 1 3 303.450 2.074 20 0 DEADHO CCc1cccc(CN2CC[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001421239627 1171626187 /nfs/dbraw/zinc/62/61/87/1171626187.db2.gz BBYHGPQCBVLZLC-SFHVURJKSA-N 1 3 317.477 2.281 20 0 DEADHO CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)NCCF ZINC001421449072 1171804531 /nfs/dbraw/zinc/80/45/31/1171804531.db2.gz HJTVWEZOJFMSSD-GOEBONIOSA-N 1 3 313.461 2.237 20 0 DEADHO CC[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)NCCF ZINC001421449072 1171804533 /nfs/dbraw/zinc/80/45/33/1171804533.db2.gz HJTVWEZOJFMSSD-GOEBONIOSA-N 1 3 313.461 2.237 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+]Cc1ccc(F)cc1 ZINC001421765703 1171978805 /nfs/dbraw/zinc/97/88/05/1171978805.db2.gz JXEHFUFCGGIESY-AWEZNQCLSA-N 1 3 309.429 2.008 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+]CC1CCC(C)CC1 ZINC001421771250 1171984107 /nfs/dbraw/zinc/98/41/07/1171984107.db2.gz WFWUAARHRBJPKS-AQFXKWCLSA-N 1 3 311.514 2.495 20 0 DEADHO Cc1cccc(C)c1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001421867867 1172068547 /nfs/dbraw/zinc/06/85/47/1172068547.db2.gz FEVIIJWBNKWYKA-AEFFLSMTSA-N 1 3 317.477 2.334 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC001422048851 1172255344 /nfs/dbraw/zinc/25/53/44/1172255344.db2.gz NUXDGUCVVADWCX-AEFFLSMTSA-N 1 3 317.477 2.273 20 0 DEADHO CC(C)C[C@H](C)C[N@H+](C)CCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001422201378 1172387952 /nfs/dbraw/zinc/38/79/52/1172387952.db2.gz QVMOEFBJIZVHGY-IRXDYDNUSA-N 1 3 311.514 2.401 20 0 DEADHO CC(C)C[C@H](C)C[N@@H+](C)CCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001422201378 1172387958 /nfs/dbraw/zinc/38/79/58/1172387958.db2.gz QVMOEFBJIZVHGY-IRXDYDNUSA-N 1 3 311.514 2.401 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCC1 ZINC001422251903 1172440052 /nfs/dbraw/zinc/44/00/52/1172440052.db2.gz JVWGBOPWTFSYTH-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@H+](C)[C@@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001422562028 1172710489 /nfs/dbraw/zinc/71/04/89/1172710489.db2.gz NDIMJIBCKBCROP-BBRMVZONSA-N 1 3 301.450 2.045 20 0 DEADHO CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001422562028 1172710497 /nfs/dbraw/zinc/71/04/97/1172710497.db2.gz NDIMJIBCKBCROP-BBRMVZONSA-N 1 3 301.450 2.045 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccccc1 ZINC001422619123 1172768514 /nfs/dbraw/zinc/76/85/14/1172768514.db2.gz UDCOTEXDQWTNTD-NVXWUHKLSA-N 1 3 303.450 2.155 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+][C@H]1CCCc2ccccc21 ZINC001422759740 1172846148 /nfs/dbraw/zinc/84/61/48/1172846148.db2.gz KALBAWHBKAHLLC-YJBOKZPZSA-N 1 3 317.477 2.499 20 0 DEADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3cc(-n4ccnc4)cs3)[C@@H]2C1 ZINC001422970678 1172985881 /nfs/dbraw/zinc/98/58/81/1172985881.db2.gz KIWTYQKHTGSETN-MAZHCROVSA-N 1 3 302.447 2.364 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(C)c1 ZINC001423489180 1173370278 /nfs/dbraw/zinc/37/02/78/1173370278.db2.gz CVGMVAUQJGWWPP-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@H]1CCCCCN1CCC(F)(F)F ZINC001425198791 1174228641 /nfs/dbraw/zinc/22/86/41/1174228641.db2.gz VEDRQTSFCADIMY-CYBMUJFWSA-N 1 3 323.403 2.251 20 0 DEADHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1C[NH+](CC2CC(C)C2)C1 ZINC001425241880 1174254971 /nfs/dbraw/zinc/25/49/71/1174254971.db2.gz HADKKODWMPCDED-HWOWSKLDSA-N 1 3 323.525 2.447 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC2CCCCC2)[C@H]1C ZINC001425899754 1174505151 /nfs/dbraw/zinc/50/51/51/1174505151.db2.gz QNOSAYDHGWMTBQ-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C(F)(F)F ZINC001426210217 1174648959 /nfs/dbraw/zinc/64/89/59/1174648959.db2.gz KXBANMHRIXXEKJ-QWHCGFSZSA-N 1 3 323.403 2.104 20 0 DEADHO CN1C[C@H](NC(=O)C[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001434380378 1178427446 /nfs/dbraw/zinc/42/74/46/1178427446.db2.gz JTJFJQVOODLNCP-CVEARBPZSA-N 1 3 303.450 2.136 20 0 DEADHO Cn1cc([C@@H]2C[C@H]2CN2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC001434519520 1178743779 /nfs/dbraw/zinc/74/37/79/1178743779.db2.gz DZVGWQQDRWHNAG-RYQLBKOJSA-N 1 3 302.466 2.474 20 0 DEADHO CC(C)(C)N1CC[C@@H]1C[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001434532464 1178793782 /nfs/dbraw/zinc/79/37/82/1178793782.db2.gz OOLPSLBKTYMUHS-TVRKMHQQSA-N 1 3 323.525 2.482 20 0 DEADHO CC1CC(C[NH2+][C@H]2C[C@H](CNC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001436379057 1179069738 /nfs/dbraw/zinc/06/97/38/1179069738.db2.gz NSZZVAJPTDXCAN-QJKUTOJQSA-N 1 3 307.482 2.001 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCCC3)C2)C1 ZINC001436422673 1179090990 /nfs/dbraw/zinc/09/09/90/1179090990.db2.gz MMASCRYKNUTCJS-BPQIPLTHSA-N 1 3 321.509 2.393 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)CC[N@@H+]1CC ZINC001436444883 1179102596 /nfs/dbraw/zinc/10/25/96/1179102596.db2.gz IRURNAMHXLGTON-BBWFWOEESA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)CC[N@H+]1CC ZINC001436444883 1179102620 /nfs/dbraw/zinc/10/26/20/1179102620.db2.gz IRURNAMHXLGTON-BBWFWOEESA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C)ccc2C)C1)N(C)C ZINC001436923866 1179303333 /nfs/dbraw/zinc/30/33/33/1179303333.db2.gz XRQHMICVSVEQRW-KZNAEPCWSA-N 1 3 317.477 2.380 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN(C)C(C)C)C2)cc1F ZINC001436934766 1179307933 /nfs/dbraw/zinc/30/79/33/1179307933.db2.gz KANBQDQLYKSXAS-WKILWMFISA-N 1 3 321.440 2.211 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1cc(C)ccc1C)N(C)C ZINC001437241973 1179636050 /nfs/dbraw/zinc/63/60/50/1179636050.db2.gz UIJVTCKKQYCAAN-RDJZCZTQSA-N 1 3 305.466 2.238 20 0 DEADHO CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1cccc(C)c1 ZINC001437627503 1179868824 /nfs/dbraw/zinc/86/88/24/1179868824.db2.gz XZFLNWPTFVWHNZ-KRWDZBQOSA-N 1 3 317.477 2.275 20 0 DEADHO CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1cccc(C)c1 ZINC001437627503 1179868827 /nfs/dbraw/zinc/86/88/27/1179868827.db2.gz XZFLNWPTFVWHNZ-KRWDZBQOSA-N 1 3 317.477 2.275 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001437742470 1179932843 /nfs/dbraw/zinc/93/28/43/1179932843.db2.gz UGVCIASVQQLUNT-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001437742470 1179932857 /nfs/dbraw/zinc/93/28/57/1179932857.db2.gz UGVCIASVQQLUNT-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CCC2CC2)C1)N(C)C ZINC001437996331 1180149039 /nfs/dbraw/zinc/14/90/39/1180149039.db2.gz FHAIKLNITUEYJQ-SJORKVTESA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CCC2CC2)C1)N(C)C ZINC001437996331 1180149045 /nfs/dbraw/zinc/14/90/45/1180149045.db2.gz FHAIKLNITUEYJQ-SJORKVTESA-N 1 3 309.498 2.153 20 0 DEADHO C[NH+](C)CCCC(=O)NCC1CN([C@@H]2CCc3ccccc32)C1 ZINC001438134922 1180211454 /nfs/dbraw/zinc/21/14/54/1180211454.db2.gz QEWCKCWBPSTIDJ-GOSISDBHSA-N 1 3 315.461 2.064 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1C[NH+](CC2CCCCC2)C1 ZINC001438157454 1180219792 /nfs/dbraw/zinc/21/97/92/1180219792.db2.gz JGLKQCFTZAKZKG-IYBDPMFKSA-N 1 3 321.509 2.488 20 0 DEADHO CC[NH2+]C[C@@](C)(NC(=O)c1cccc(CN(C)C)c1)C1CC1 ZINC001438428209 1180414137 /nfs/dbraw/zinc/41/41/37/1180414137.db2.gz GUAJYZFSVRPPSY-GOSISDBHSA-N 1 3 303.450 2.256 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCc1ccc(C[NH2+]CC2CC2)cc1 ZINC001438445988 1180438772 /nfs/dbraw/zinc/43/87/72/1180438772.db2.gz OVHFIXGJHRXLIJ-UHFFFAOYSA-N 1 3 312.417 2.077 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CNCc1ccc(Cl)s1 ZINC001439264123 1180976129 /nfs/dbraw/zinc/97/61/29/1180976129.db2.gz HTZRORKQRUDGPH-NSHDSACASA-N 1 3 317.886 2.338 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CNCc1ccc(Cl)s1 ZINC001439264123 1180976137 /nfs/dbraw/zinc/97/61/37/1180976137.db2.gz HTZRORKQRUDGPH-NSHDSACASA-N 1 3 317.886 2.338 20 0 DEADHO C[C@@H](CN(C)Cc1cccc(F)c1)NC(=O)C1CC[NH+](C)CC1 ZINC001439366956 1181047918 /nfs/dbraw/zinc/04/79/18/1181047918.db2.gz SOOHZGVNUVNRER-AWEZNQCLSA-N 1 3 321.440 2.104 20 0 DEADHO Cc1ccc(F)cc1CN(C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001439371079 1181051865 /nfs/dbraw/zinc/05/18/65/1181051865.db2.gz PIQAQQSXYQJCJW-OAHLLOKOSA-N 1 3 323.456 2.412 20 0 DEADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCN2CCC2CCCCC2)C1 ZINC001439566049 1181147062 /nfs/dbraw/zinc/14/70/62/1181147062.db2.gz AFEJEVSRKSFWHD-ROUUACIJSA-N 1 3 321.509 2.489 20 0 DEADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCN2CCC2CCCCC2)C1 ZINC001439566049 1181147071 /nfs/dbraw/zinc/14/70/71/1181147071.db2.gz AFEJEVSRKSFWHD-ROUUACIJSA-N 1 3 321.509 2.489 20 0 DEADHO Cc1ccc(C[NH2+]C2(CNC(=O)C3(N(C)C)CCC3)CC2)cc1 ZINC001439617606 1181171943 /nfs/dbraw/zinc/17/19/43/1181171943.db2.gz XOALKQDDQVABIP-UHFFFAOYSA-N 1 3 315.461 2.218 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C/C=C/Cl)C2 ZINC001440112867 1181353694 /nfs/dbraw/zinc/35/36/94/1181353694.db2.gz QWMPROQFSONPDF-KDKXTZIQSA-N 1 3 313.873 2.050 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C/C=C/Cl)C2 ZINC001440112867 1181353705 /nfs/dbraw/zinc/35/37/05/1181353705.db2.gz QWMPROQFSONPDF-KDKXTZIQSA-N 1 3 313.873 2.050 20 0 DEADHO CC(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001440313603 1181443367 /nfs/dbraw/zinc/44/33/67/1181443367.db2.gz NMAQUIBRTBIQNQ-WNKDZCFJSA-N 1 3 309.498 2.390 20 0 DEADHO CC[C@H](F)CNC1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCC1 ZINC001440314918 1181444132 /nfs/dbraw/zinc/44/41/32/1181444132.db2.gz NCDPXLJUUIVWEG-LSDHHAIUSA-N 1 3 313.461 2.237 20 0 DEADHO CC[C@H](F)CNC1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CCC1 ZINC001440314918 1181444133 /nfs/dbraw/zinc/44/41/33/1181444133.db2.gz NCDPXLJUUIVWEG-LSDHHAIUSA-N 1 3 313.461 2.237 20 0 DEADHO C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1NCCF ZINC001440586857 1181602869 /nfs/dbraw/zinc/60/28/69/1181602869.db2.gz GAJAAZMFQZQOSD-HOCLYGCPSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1NCCF ZINC001440586857 1181602880 /nfs/dbraw/zinc/60/28/80/1181602880.db2.gz GAJAAZMFQZQOSD-HOCLYGCPSA-N 1 3 313.461 2.047 20 0 DEADHO CCc1cccc(CN(C)[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001441014571 1181826586 /nfs/dbraw/zinc/82/65/86/1181826586.db2.gz SOUYMOPTRRZTJA-MAUKXSAKSA-N 1 3 317.477 2.137 20 0 DEADHO CCc1cccc(CN(C)[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001441014571 1181826587 /nfs/dbraw/zinc/82/65/87/1181826587.db2.gz SOUYMOPTRRZTJA-MAUKXSAKSA-N 1 3 317.477 2.137 20 0 DEADHO CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](F)CN(CC)CC)C(C)(C)C1 ZINC001441249405 1181912600 /nfs/dbraw/zinc/91/26/00/1181912600.db2.gz RCRWLHBEDQDGRL-HUUCEWRRSA-N 1 3 315.477 2.293 20 0 DEADHO CCCC[N@H+]1C[C@@H](NC(=O)[C@H](F)CN(CC)CC)C(C)(C)C1 ZINC001441249405 1181912605 /nfs/dbraw/zinc/91/26/05/1181912605.db2.gz RCRWLHBEDQDGRL-HUUCEWRRSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CC1CCC1)C1CC1 ZINC001441436588 1181994818 /nfs/dbraw/zinc/99/48/18/1181994818.db2.gz FIXHKRGXECBSHE-ROUUACIJSA-N 1 3 321.509 2.486 20 0 DEADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1ccsc1 ZINC001441506252 1182030381 /nfs/dbraw/zinc/03/03/81/1182030381.db2.gz DHENEGGNIPOOKO-UMVBOHGHSA-N 1 3 309.479 2.025 20 0 DEADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1ccsc1 ZINC001441506252 1182030385 /nfs/dbraw/zinc/03/03/85/1182030385.db2.gz DHENEGGNIPOOKO-UMVBOHGHSA-N 1 3 309.479 2.025 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CN2CC[C@@H](C)C2)cc1 ZINC001441592244 1182078685 /nfs/dbraw/zinc/07/86/85/1182078685.db2.gz FYNSVTBDCSXHMW-IAGOWNOFSA-N 1 3 317.477 2.273 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CN(C)C(C)C)cc1 ZINC001441659183 1182117469 /nfs/dbraw/zinc/11/74/69/1182117469.db2.gz RLEKXEXBSOAURB-INIZCTEOSA-N 1 3 305.466 2.272 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)[C@@H]2C)cc1 ZINC001441819813 1182175672 /nfs/dbraw/zinc/17/56/72/1182175672.db2.gz NGNFDAGFYWYUSV-AEFFLSMTSA-N 1 3 317.477 2.414 20 0 DEADHO CN(CC(=O)N[C@H](C[NH2+]CC1CC1)C(C)(C)C)CC(C)(C)C ZINC001442175595 1182352721 /nfs/dbraw/zinc/35/27/21/1182352721.db2.gz FDKCVVLRRBLAKA-OAHLLOKOSA-N 1 3 311.514 2.495 20 0 DEADHO C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H](NC/C(Cl)=C\Cl)C1 ZINC001442181141 1182355747 /nfs/dbraw/zinc/35/57/47/1182355747.db2.gz CCWKEMMAMHKROA-FWPSRMAWSA-N 1 3 322.280 2.274 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCCC2CCC2)C1 ZINC001443305758 1182914559 /nfs/dbraw/zinc/91/45/59/1182914559.db2.gz DMCCXSOOSNILDQ-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCCC2CCC2)C1 ZINC001443305758 1182914568 /nfs/dbraw/zinc/91/45/68/1182914568.db2.gz DMCCXSOOSNILDQ-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO Cc1ccc(C[N@@H+](C)CCN(C)C(=O)C2(N(C)C)CCC2)cc1 ZINC001444993794 1183692847 /nfs/dbraw/zinc/69/28/47/1183692847.db2.gz MVEBBOLDIKVAMZ-UHFFFAOYSA-N 1 3 317.477 2.370 20 0 DEADHO Cc1ccc(C[N@H+](C)CCN(C)C(=O)C2(N(C)C)CCC2)cc1 ZINC001444993794 1183692849 /nfs/dbraw/zinc/69/28/49/1183692849.db2.gz MVEBBOLDIKVAMZ-UHFFFAOYSA-N 1 3 317.477 2.370 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001445064640 1183753156 /nfs/dbraw/zinc/75/31/56/1183753156.db2.gz KUPVGISYTAXZTQ-GOSISDBHSA-N 1 3 317.477 2.406 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001445064640 1183753158 /nfs/dbraw/zinc/75/31/58/1183753158.db2.gz KUPVGISYTAXZTQ-GOSISDBHSA-N 1 3 317.477 2.406 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)NC(=O)C2(N(C)C)CCC2)cc1F ZINC001445558483 1183904782 /nfs/dbraw/zinc/90/47/82/1183904782.db2.gz UEWPQHZPNHGNGT-AWEZNQCLSA-N 1 3 321.440 2.213 20 0 DEADHO CCC(CC)C[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001446069070 1184210488 /nfs/dbraw/zinc/21/04/88/1184210488.db2.gz LNHOWKUTOGDZMU-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CCC(CC)C[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001446069070 1184210499 /nfs/dbraw/zinc/21/04/99/1184210499.db2.gz LNHOWKUTOGDZMU-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](C(=O)NC[C@H]1CCN1CCC1CC1)[NH+]1CCCCCC1 ZINC001446095291 1184223509 /nfs/dbraw/zinc/22/35/09/1184223509.db2.gz GMUWBAHRLJPFTI-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO C[NH+](C)CCCC(=O)NCC1(NCc2ccc(Cl)cc2)CC1 ZINC001446231771 1184277350 /nfs/dbraw/zinc/27/73/50/1184277350.db2.gz ZNIZCFABANEHII-UHFFFAOYSA-N 1 3 323.868 2.420 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CCC2CCCC2)CC1 ZINC001446269804 1184292252 /nfs/dbraw/zinc/29/22/52/1184292252.db2.gz XQOQYGUQZMJUTL-UHFFFAOYSA-N 1 3 304.438 2.079 20 0 DEADHO CCCN(C)CC(=O)NC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001446481364 1184367633 /nfs/dbraw/zinc/36/76/33/1184367633.db2.gz MOHQQJZORFIPKN-UHFFFAOYSA-N 1 3 317.477 2.499 20 0 DEADHO C[NH+](C)CCC(=O)N[C@]1(C)CCN(C/C=C/c2ccccc2)C1 ZINC001446553952 1184409683 /nfs/dbraw/zinc/40/96/83/1184409683.db2.gz DAEQEMGEGZVHBI-QPGLYAHGSA-N 1 3 315.461 2.232 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccccc2)C1 ZINC001446935581 1184582709 /nfs/dbraw/zinc/58/27/09/1184582709.db2.gz BMFALEFONDIXLV-FUHWJXTLSA-N 1 3 317.477 2.355 20 0 DEADHO C[C@H]([NH2+]CCC1CC1)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001446937220 1184583252 /nfs/dbraw/zinc/58/32/52/1184583252.db2.gz GQLWNYUBQNJYLP-HOCLYGCPSA-N 1 3 307.482 2.097 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]CCC2CC2)CCC1 ZINC001447193207 1184668667 /nfs/dbraw/zinc/66/86/67/1184668667.db2.gz BVTUJHMTIOGKPK-MRXNPFEDSA-N 1 3 307.482 2.289 20 0 DEADHO CC(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001447771305 1184867041 /nfs/dbraw/zinc/86/70/41/1184867041.db2.gz GMQXMIXUQJLQJW-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001447771305 1184867042 /nfs/dbraw/zinc/86/70/42/1184867042.db2.gz GMQXMIXUQJLQJW-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H]2CC[N@H+](CCC)C2)C1 ZINC001447773829 1184867478 /nfs/dbraw/zinc/86/74/78/1184867478.db2.gz MOGLGDWFRKHYMI-IAGOWNOFSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H]2CC[N@@H+](CCC)C2)C1 ZINC001447773829 1184867480 /nfs/dbraw/zinc/86/74/80/1184867480.db2.gz MOGLGDWFRKHYMI-IAGOWNOFSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+]Cc2ccc(F)cc2)C1 ZINC001447827148 1184885644 /nfs/dbraw/zinc/88/56/44/1184885644.db2.gz XXLWBTPPCHXKGG-UHFFFAOYSA-N 1 3 321.440 2.150 20 0 DEADHO COc1cccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001447940396 1184966221 /nfs/dbraw/zinc/96/62/21/1184966221.db2.gz ZJBSNDDVTXPPBR-LSDHHAIUSA-N 1 3 321.465 2.018 20 0 DEADHO CCC(CC)C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001448511319 1185265934 /nfs/dbraw/zinc/26/59/34/1185265934.db2.gz AKBTZASNPYXCGG-SHTZXODSSA-N 1 3 306.454 2.181 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C1CC[NH+](CC2CCC2)CC1 ZINC001449357614 1185673772 /nfs/dbraw/zinc/67/37/72/1185673772.db2.gz ZOGOZTULHYAWKH-OAHLLOKOSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001449404941 1185704061 /nfs/dbraw/zinc/70/40/61/1185704061.db2.gz ADSWGHDJNVDNRX-KLAILNCOSA-N 1 3 309.498 2.343 20 0 DEADHO CN(C)Cc1ccnc(N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)c1 ZINC001164423996 718946657 /nfs/dbraw/zinc/94/66/57/718946657.db2.gz LLQHTXLUZHZDBX-ZWKOTPCHSA-N 1 3 308.429 2.219 20 0 DEADHO CC(C)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001405986238 1164372117 /nfs/dbraw/zinc/37/21/17/1164372117.db2.gz HNPRKLSYSOCCJU-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN(C)C3CCC3)C2)c1 ZINC001370632539 1149824070 /nfs/dbraw/zinc/82/40/70/1149824070.db2.gz BEHDXUAFKQSJSX-CALCHBBNSA-N 1 3 315.461 2.216 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN(C)C(C)C)C2)c1 ZINC001370738596 1149831086 /nfs/dbraw/zinc/83/10/86/1149831086.db2.gz XSIOYDRDWKISLK-CALCHBBNSA-N 1 3 303.450 2.072 20 0 DEADHO CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)CN(C)C2CCC2)C1 ZINC001407303526 1165099090 /nfs/dbraw/zinc/09/90/90/1165099090.db2.gz MSOJSZYEZHRNMZ-SFHVURJKSA-N 1 3 309.498 2.489 20 0 DEADHO CCCC[N@H+]1CCC[C@@](C)(CNC(=O)CN(C)C2CCC2)C1 ZINC001407303526 1165099096 /nfs/dbraw/zinc/09/90/96/1165099096.db2.gz MSOJSZYEZHRNMZ-SFHVURJKSA-N 1 3 309.498 2.489 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(C)nnc2C)[C@H](C)C1 ZINC001332885395 1149915294 /nfs/dbraw/zinc/91/52/94/1149915294.db2.gz CMWOFOOPJDQFFA-RDTXWAMCSA-N 1 3 320.481 2.320 20 0 DEADHO CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249183 782571486 /nfs/dbraw/zinc/57/14/86/782571486.db2.gz BPOMUTIBXVBDQN-KBAYOESNSA-N 1 3 323.525 2.447 20 0 DEADHO CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249799 782571558 /nfs/dbraw/zinc/57/15/58/782571558.db2.gz QJQYAUPUWKAVKB-VNKQVBPSSA-N 1 3 321.509 2.367 20 0 DEADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCC(C)(C)C)[C@H](C)C2)C1 ZINC001106666659 782841709 /nfs/dbraw/zinc/84/17/09/782841709.db2.gz PMOPDVMVPKEBTF-GVDBMIGSSA-N 1 3 323.525 2.449 20 0 DEADHO CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001106783149 782932733 /nfs/dbraw/zinc/93/27/33/782932733.db2.gz ISQWLCJECHAXQY-MGSINWNPSA-N 1 3 309.498 2.369 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCC(C)C)C12CCC2 ZINC001203522358 782947141 /nfs/dbraw/zinc/94/71/41/782947141.db2.gz NLUJIJWNHICVTF-HZPDHXFCSA-N 1 3 309.498 2.391 20 0 DEADHO CCCC[N@@H+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001072982901 790355709 /nfs/dbraw/zinc/35/57/09/790355709.db2.gz FCUBZNHYYVNRPJ-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO CCCC[N@H+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001072982901 790355719 /nfs/dbraw/zinc/35/57/19/790355719.db2.gz FCUBZNHYYVNRPJ-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](C(C)C)C2 ZINC001073035708 790408051 /nfs/dbraw/zinc/40/80/51/790408051.db2.gz PEVSTXFRNNXBLX-MRXNPFEDSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](C(C)C)C2 ZINC001073035708 790408056 /nfs/dbraw/zinc/40/80/56/790408056.db2.gz PEVSTXFRNNXBLX-MRXNPFEDSA-N 1 3 307.482 2.192 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001211257836 777023156 /nfs/dbraw/zinc/02/31/56/777023156.db2.gz VLUKNVBRLJLQLD-XDHNQJSPSA-N 1 3 313.873 2.194 20 0 DEADHO CC[C@H](F)C[NH2+]CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001167626471 777405455 /nfs/dbraw/zinc/40/54/55/777405455.db2.gz CCFNJPHYUWCOCJ-GJZGRUSLSA-N 1 3 301.450 2.093 20 0 DEADHO CN(C)CCN(C(=O)[C@@H]1CC12CCCCC2)[C@H]1CCC[NH2+]C1 ZINC001161444840 778091390 /nfs/dbraw/zinc/09/13/90/778091390.db2.gz KWOXUJDMXFIYGM-HOTGVXAUSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC2CC2)C1 ZINC001105064349 778319849 /nfs/dbraw/zinc/31/98/49/778319849.db2.gz KSCKBWBDDWZYTA-NVXWUHKLSA-N 1 3 309.498 2.201 20 0 DEADHO COC(CCN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC000686610082 778472017 /nfs/dbraw/zinc/47/20/17/778472017.db2.gz ZFEGWTHWQXEMEB-KRWDZBQOSA-N 1 3 306.450 2.449 20 0 DEADHO COC(CCN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)OC ZINC000686610082 778472020 /nfs/dbraw/zinc/47/20/20/778472020.db2.gz ZFEGWTHWQXEMEB-KRWDZBQOSA-N 1 3 306.450 2.449 20 0 DEADHO CC[C@H](C)C[NH2+]CC1(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001167900183 778760743 /nfs/dbraw/zinc/76/07/43/778760743.db2.gz AGIYHPWFUCDFHZ-ZDUSSCGKSA-N 1 3 306.454 2.183 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC1(C[NH2+]CC2CCCC2)CC1 ZINC001167901749 778767550 /nfs/dbraw/zinc/76/75/50/778767550.db2.gz YUUPFMIZKKRFST-UHFFFAOYSA-N 1 3 318.465 2.327 20 0 DEADHO c1ccc(CN2CC[C@@H](NC3CC[NH+](CC4CC4)CC3)C2)nc1 ZINC001168365634 781056359 /nfs/dbraw/zinc/05/63/59/781056359.db2.gz BCCMBCIQBOJIEV-LJQANCHMSA-N 1 3 314.477 2.120 20 0 DEADHO CCN(CC)C(=O)[C@@H]1CCCN(C2CC[NH+](CC3CC3)CC2)C1 ZINC001168372491 781651065 /nfs/dbraw/zinc/65/10/65/781651065.db2.gz YURVPYUTVFJJQN-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CCNC(=O)OC1CC[NH+](C2CCN(CC3CC3)CC2)CC1 ZINC001168389592 781778100 /nfs/dbraw/zinc/77/81/00/781778100.db2.gz SUAYSIRKTPMXSJ-UHFFFAOYSA-N 1 3 309.454 2.071 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CC2CCCC2)[C@@H](C)C1 ZINC000947979662 783284423 /nfs/dbraw/zinc/28/44/23/783284423.db2.gz JPZYYEFXMCSQPQ-BBRMVZONSA-N 1 3 318.465 2.420 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)[C@@H](C)C1 ZINC000947979662 783284429 /nfs/dbraw/zinc/28/44/29/783284429.db2.gz JPZYYEFXMCSQPQ-BBRMVZONSA-N 1 3 318.465 2.420 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000948244981 783390787 /nfs/dbraw/zinc/39/07/87/783390787.db2.gz MCOVMGWNCFUKOU-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000948244981 783390794 /nfs/dbraw/zinc/39/07/94/783390794.db2.gz MCOVMGWNCFUKOU-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001085332279 783641678 /nfs/dbraw/zinc/64/16/78/783641678.db2.gz QXLYMVLXZPKWFU-CPUCHLNUSA-N 1 3 313.461 2.236 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCC1 ZINC001085628913 783904242 /nfs/dbraw/zinc/90/42/42/783904242.db2.gz HPJMTLZQIGCAKL-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCC1 ZINC001085628913 783904246 /nfs/dbraw/zinc/90/42/46/783904246.db2.gz HPJMTLZQIGCAKL-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1CC1CCC1 ZINC001085628913 783904257 /nfs/dbraw/zinc/90/42/57/783904257.db2.gz HPJMTLZQIGCAKL-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1CC1CCC1 ZINC001085628913 783904263 /nfs/dbraw/zinc/90/42/63/783904263.db2.gz HPJMTLZQIGCAKL-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO Cc1cc(C)cc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c1 ZINC000967709314 784098513 /nfs/dbraw/zinc/09/85/13/784098513.db2.gz ZHFISYBQMKTUIV-MSOLQXFVSA-N 1 3 315.461 2.088 20 0 DEADHO CCc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1 ZINC000967708659 784099015 /nfs/dbraw/zinc/09/90/15/784099015.db2.gz OFYQUTWKTLUFCS-QZTJIDSGSA-N 1 3 315.461 2.034 20 0 DEADHO CC(C)N1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085876275 784166254 /nfs/dbraw/zinc/16/62/54/784166254.db2.gz WLECUYPIOGCQCS-QGZVFWFLSA-N 1 3 303.450 2.303 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1)C1CC1 ZINC000968912372 784647002 /nfs/dbraw/zinc/64/70/02/784647002.db2.gz GAACRQAUAZGBDW-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NCCC(=O)Nc1ccc(F)cc1)C2 ZINC001169099766 785035157 /nfs/dbraw/zinc/03/51/57/785035157.db2.gz VJRFAFTVCWIIJS-MUJYYYPQSA-N 1 3 305.397 2.369 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NCCC(=O)Nc1ccc(F)cc1)C2 ZINC001169099766 785035167 /nfs/dbraw/zinc/03/51/67/785035167.db2.gz VJRFAFTVCWIIJS-MUJYYYPQSA-N 1 3 305.397 2.369 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1)C2 ZINC001169126739 785047958 /nfs/dbraw/zinc/04/79/58/785047958.db2.gz XDLVAKOGIJFVKG-MQLXINIDSA-N 1 3 324.362 2.339 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1)C2 ZINC001169126739 785047961 /nfs/dbraw/zinc/04/79/61/785047961.db2.gz XDLVAKOGIJFVKG-MQLXINIDSA-N 1 3 324.362 2.339 20 0 DEADHO CN(CCCNC(=O)OC(C)(C)C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169131143 785050318 /nfs/dbraw/zinc/05/03/18/785050318.db2.gz QHDQIYOCHFBIRL-FICVDOATSA-N 1 3 311.470 2.458 20 0 DEADHO CN(CCCNC(=O)OC(C)(C)C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169131143 785050320 /nfs/dbraw/zinc/05/03/20/785050320.db2.gz QHDQIYOCHFBIRL-FICVDOATSA-N 1 3 311.470 2.458 20 0 DEADHO CC(=O)N1CCC[C@H]([N@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)C1 ZINC001169625934 785269996 /nfs/dbraw/zinc/26/99/96/785269996.db2.gz PONQDFGWJVVMLN-KSZLIROESA-N 1 3 307.482 2.336 20 0 DEADHO CC(=O)N1CCC[C@H]([N@@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)C1 ZINC001169625934 785270004 /nfs/dbraw/zinc/27/00/04/785270004.db2.gz PONQDFGWJVVMLN-KSZLIROESA-N 1 3 307.482 2.336 20 0 DEADHO CC(=O)N1CCC[C@H](N2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)C1 ZINC001169625934 785270016 /nfs/dbraw/zinc/27/00/16/785270016.db2.gz PONQDFGWJVVMLN-KSZLIROESA-N 1 3 307.482 2.336 20 0 DEADHO CC(=O)N1CCC[C@H](N2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)C1 ZINC001169625934 785270022 /nfs/dbraw/zinc/27/00/22/785270022.db2.gz PONQDFGWJVVMLN-KSZLIROESA-N 1 3 307.482 2.336 20 0 DEADHO CC(=O)N1CCC[C@H]([N@@H+]2CCCC[C@H]2CCN2CCCC2)C1 ZINC001169613960 785278429 /nfs/dbraw/zinc/27/84/29/785278429.db2.gz AXUYUQHNWYGCOJ-ROUUACIJSA-N 1 3 307.482 2.338 20 0 DEADHO CC(=O)N1CCC[C@H]([N@H+]2CCCC[C@H]2CCN2CCCC2)C1 ZINC001169613960 785278438 /nfs/dbraw/zinc/27/84/38/785278438.db2.gz AXUYUQHNWYGCOJ-ROUUACIJSA-N 1 3 307.482 2.338 20 0 DEADHO CC/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001108768769 785527990 /nfs/dbraw/zinc/52/79/90/785527990.db2.gz GCEDAYVUBMYPOX-SWGXHTOZSA-N 1 3 316.449 2.278 20 0 DEADHO C[C@@H](CCCC[NH2+]CCC1CC1)NC(=O)[C@@H](C1CC1)N(C)C ZINC001171248043 791124164 /nfs/dbraw/zinc/12/41/64/791124164.db2.gz QFWTUKCYHLIZTE-WMLDXEAASA-N 1 3 309.498 2.391 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001109653356 785975274 /nfs/dbraw/zinc/97/52/74/785975274.db2.gz SVVBSFYNNRQUPQ-SQNIBIBYSA-N 1 3 315.461 2.250 20 0 DEADHO CC[NH+](CC)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(C)C)C(C)C ZINC001109860329 786088696 /nfs/dbraw/zinc/08/86/96/786088696.db2.gz XVVUGDXHVKTPGH-QZWWFDLISA-N 1 3 309.498 2.483 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CCC2)C1 ZINC001112548664 786157221 /nfs/dbraw/zinc/15/72/21/786157221.db2.gz KTSHGQPDXGIXNM-HKUYNNGSSA-N 1 3 321.509 2.347 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(CC)CC)C1 ZINC001014630162 786668361 /nfs/dbraw/zinc/66/83/61/786668361.db2.gz MRFSONWHSQHYQT-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(CC)CC)C1 ZINC001014630162 786668366 /nfs/dbraw/zinc/66/83/66/786668366.db2.gz MRFSONWHSQHYQT-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001015052436 786878262 /nfs/dbraw/zinc/87/82/62/786878262.db2.gz LEUXNBZMMRKALV-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001015052436 786878273 /nfs/dbraw/zinc/87/82/73/786878273.db2.gz LEUXNBZMMRKALV-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1cc(CNCCNC(=O)C23CCC[NH+](CCC2)C3)cs1 ZINC001130173221 787309187 /nfs/dbraw/zinc/30/91/87/787309187.db2.gz BZQWYNAZZIMJBN-UHFFFAOYSA-N 1 3 321.490 2.138 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001130427958 787389693 /nfs/dbraw/zinc/38/96/93/787389693.db2.gz WOALRMDOXCFRTO-HNNXBMFYSA-N 1 3 305.466 2.492 20 0 DEADHO CCN(CC)Cc1cccc(N[C@H](C)[C@@H]2C[NH2+]CCO2)c1F ZINC001170573147 787658992 /nfs/dbraw/zinc/65/89/92/787658992.db2.gz JJELHJUYKWFCNU-CJNGLKHVSA-N 1 3 309.429 2.456 20 0 DEADHO CC[NH+](CC)Cc1cccc(N[C@H](C)[C@@H]2CNCCO2)c1F ZINC001170573147 787658994 /nfs/dbraw/zinc/65/89/94/787658994.db2.gz JJELHJUYKWFCNU-CJNGLKHVSA-N 1 3 309.429 2.456 20 0 DEADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001096604004 787754301 /nfs/dbraw/zinc/75/43/01/787754301.db2.gz FAXIHAZXJKESJB-SQNIBIBYSA-N 1 3 315.461 2.492 20 0 DEADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001096604004 787754309 /nfs/dbraw/zinc/75/43/09/787754309.db2.gz FAXIHAZXJKESJB-SQNIBIBYSA-N 1 3 315.461 2.492 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCNCc2csc(C)c2)C1 ZINC001132738385 788179331 /nfs/dbraw/zinc/17/93/31/788179331.db2.gz BBDDFEUWYAZBLI-MRXNPFEDSA-N 1 3 323.506 2.384 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCNCc2csc(C)c2)C1 ZINC001132738385 788179336 /nfs/dbraw/zinc/17/93/36/788179336.db2.gz BBDDFEUWYAZBLI-MRXNPFEDSA-N 1 3 323.506 2.384 20 0 DEADHO CC[C@H](F)CNCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132791210 788194841 /nfs/dbraw/zinc/19/48/41/788194841.db2.gz UXLCWWYULCTDEW-HOCLYGCPSA-N 1 3 313.461 2.237 20 0 DEADHO CC[C@H](F)CNCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001132791210 788194845 /nfs/dbraw/zinc/19/48/45/788194845.db2.gz UXLCWWYULCTDEW-HOCLYGCPSA-N 1 3 313.461 2.237 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC2CC2)C1 ZINC001132938818 788232498 /nfs/dbraw/zinc/23/24/98/788232498.db2.gz ZJGWKHHDTAEXHU-HOCLYGCPSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]CCF ZINC001133123102 788288848 /nfs/dbraw/zinc/28/88/48/788288848.db2.gz YRFLAVPCDOHPSZ-LSDHHAIUSA-N 1 3 315.477 2.008 20 0 DEADHO CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C ZINC001133135919 788292105 /nfs/dbraw/zinc/29/21/05/788292105.db2.gz ZCUZPTHOOICHCW-KSLSASGISA-N 1 3 318.465 2.383 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC=C(C)C)C1 ZINC001133178793 788306839 /nfs/dbraw/zinc/30/68/39/788306839.db2.gz XJJPWHXKUALXOJ-SJORKVTESA-N 1 3 309.498 2.369 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)CN1CCC[C@@H]1C ZINC001133819613 788618810 /nfs/dbraw/zinc/61/88/10/788618810.db2.gz IZICVGDARROAAC-JKSUJKDBSA-N 1 3 303.450 2.246 20 0 DEADHO Cc1cccc(Cl)c1CNCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133823828 788623875 /nfs/dbraw/zinc/62/38/75/788623875.db2.gz PZFUFBMPDQXHKC-AWEZNQCLSA-N 1 3 323.868 2.339 20 0 DEADHO Cc1cccc(Cl)c1CNCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133823828 788623878 /nfs/dbraw/zinc/62/38/78/788623878.db2.gz PZFUFBMPDQXHKC-AWEZNQCLSA-N 1 3 323.868 2.339 20 0 DEADHO C[C@@H]([NH2+]CCNC(=O)CN1CCC[C@@H]1C)c1cccc(F)c1 ZINC001133833987 788627131 /nfs/dbraw/zinc/62/71/31/788627131.db2.gz LEGLLMYXKAUBAR-UONOGXRCSA-N 1 3 307.413 2.077 20 0 DEADHO C[C@H]([NH2+]CCNC(=O)CN1CCC[C@H]1C)c1cccc(F)c1 ZINC001133833986 788627587 /nfs/dbraw/zinc/62/75/87/788627587.db2.gz LEGLLMYXKAUBAR-KGLIPLIRSA-N 1 3 307.413 2.077 20 0 DEADHO C[C@H]([NH2+]CCNC(=O)CN1CCC(C)(C)C1)c1ccccc1 ZINC001133896102 788662365 /nfs/dbraw/zinc/66/23/65/788662365.db2.gz CIWUCPHICMYHEW-HNNXBMFYSA-N 1 3 303.450 2.185 20 0 DEADHO Cc1cc(C[NH2+]CCNC(=O)CN(C)CC(C)(C)C)cs1 ZINC001133906246 788666295 /nfs/dbraw/zinc/66/62/95/788666295.db2.gz RWAZHRLSJCQXAJ-UHFFFAOYSA-N 1 3 311.495 2.240 20 0 DEADHO CN1CCN(Cc2ccccc2C[NH2+][C@H]2CCCOCC2)CC1 ZINC001170775364 789113084 /nfs/dbraw/zinc/11/30/84/789113084.db2.gz LBHQKZQVOMOWAS-IBGZPJMESA-N 1 3 317.477 2.093 20 0 DEADHO c1cncc(CN2CCC(C[NH2+][C@@H]3CCCOCC3)CC2)c1 ZINC001170796313 789216942 /nfs/dbraw/zinc/21/69/42/789216942.db2.gz KZKCVLAIOKGVTE-GOSISDBHSA-N 1 3 303.450 2.452 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccnc1C ZINC001135743830 789475450 /nfs/dbraw/zinc/47/54/50/789475450.db2.gz QDIBNBKRNLXHDX-LSDHHAIUSA-N 1 3 320.481 2.105 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCOC(C)C ZINC001135979797 789581898 /nfs/dbraw/zinc/58/18/98/789581898.db2.gz JBPFAYWEAYBGCF-CVEARBPZSA-N 1 3 315.502 2.016 20 0 DEADHO C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CC1CCC1 ZINC001072298338 790109336 /nfs/dbraw/zinc/10/93/36/790109336.db2.gz XVWZKCFRXCXROF-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)CCC[N@@H+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001147723943 791605965 /nfs/dbraw/zinc/60/59/65/791605965.db2.gz FQZWESFVZUNGQW-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)CCC[N@H+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001147723943 791605970 /nfs/dbraw/zinc/60/59/70/791605970.db2.gz FQZWESFVZUNGQW-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC3CC3)C[C@@]2(C)C1 ZINC001091666673 791637400 /nfs/dbraw/zinc/63/74/00/791637400.db2.gz DGEKNOAPPSQCGW-LMMKCTJWSA-N 1 3 319.493 2.050 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC3CC3)C[C@@]2(C)C1 ZINC001091666673 791637405 /nfs/dbraw/zinc/63/74/05/791637405.db2.gz DGEKNOAPPSQCGW-LMMKCTJWSA-N 1 3 319.493 2.050 20 0 DEADHO C[NH+](C)CCCCC(=O)NCCNCc1ccc(Cl)s1 ZINC001148359998 791741195 /nfs/dbraw/zinc/74/11/95/791741195.db2.gz JODAZYSYFSUCCL-UHFFFAOYSA-N 1 3 317.886 2.339 20 0 DEADHO CC(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@]2(C)C1 ZINC001091735273 791773605 /nfs/dbraw/zinc/77/36/05/791773605.db2.gz PLABEFHWIBTVAB-AEFFLSMTSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)CC[N@H+]1C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@]2(C)C1 ZINC001091735273 791773607 /nfs/dbraw/zinc/77/36/07/791773607.db2.gz PLABEFHWIBTVAB-AEFFLSMTSA-N 1 3 321.509 2.297 20 0 DEADHO CN(CC(=O)N1C[C@H]2C[N@H+](CCC3CC3)C[C@@]2(C)C1)C1CCC1 ZINC001091740762 791784891 /nfs/dbraw/zinc/78/48/91/791784891.db2.gz GVVVLGILKUMVBG-APWZRJJASA-N 1 3 319.493 2.051 20 0 DEADHO CN(CC(=O)N1C[C@H]2C[N@@H+](CCC3CC3)C[C@@]2(C)C1)C1CCC1 ZINC001091740762 791784892 /nfs/dbraw/zinc/78/48/92/791784892.db2.gz GVVVLGILKUMVBG-APWZRJJASA-N 1 3 319.493 2.051 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+]Cc1cccc(OC(C)C)c1 ZINC001148638371 791786589 /nfs/dbraw/zinc/78/65/89/791786589.db2.gz GJIBMUWNRNEQDR-UHFFFAOYSA-N 1 3 321.465 2.021 20 0 DEADHO CC(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092010573 791922113 /nfs/dbraw/zinc/92/21/13/791922113.db2.gz HABGCHBNSTZYLF-SCTDSRPQSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)CC[N@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092010573 791922115 /nfs/dbraw/zinc/92/21/15/791922115.db2.gz HABGCHBNSTZYLF-SCTDSRPQSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)(C)CC[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001092049412 791930842 /nfs/dbraw/zinc/93/08/42/791930842.db2.gz CWKRGVKYFLBNNY-KDOFPFPSSA-N 1 3 318.465 2.169 20 0 DEADHO CC(C)(C)CC[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001092049412 791930844 /nfs/dbraw/zinc/93/08/44/791930844.db2.gz CWKRGVKYFLBNNY-KDOFPFPSSA-N 1 3 318.465 2.169 20 0 DEADHO CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001098959228 792002612 /nfs/dbraw/zinc/00/26/12/792002612.db2.gz HNBKPDHDBNXDRK-LNLFQRSKSA-N 1 3 319.493 2.242 20 0 DEADHO CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001098959228 792002624 /nfs/dbraw/zinc/00/26/24/792002624.db2.gz HNBKPDHDBNXDRK-LNLFQRSKSA-N 1 3 319.493 2.242 20 0 DEADHO CC(C)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C(C)C ZINC001099552323 792240060 /nfs/dbraw/zinc/24/00/60/792240060.db2.gz LJXRJUKBFPNTBE-MHORFTMASA-N 1 3 321.509 2.151 20 0 DEADHO CC(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C(C)C ZINC001099552323 792240068 /nfs/dbraw/zinc/24/00/68/792240068.db2.gz LJXRJUKBFPNTBE-MHORFTMASA-N 1 3 321.509 2.151 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCC1CC([NH2+]Cc2ccsc2)C1 ZINC001100677151 792782776 /nfs/dbraw/zinc/78/27/76/792782776.db2.gz YSUOUQSBEWWDOT-IUDNXUCKSA-N 1 3 321.490 2.217 20 0 DEADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]CC2CC3(CCC3)C2)C1 ZINC001101036102 792978147 /nfs/dbraw/zinc/97/81/47/792978147.db2.gz IFFHYIXNGYMKRM-UHFFFAOYSA-N 1 3 321.509 2.391 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C(C)C)N1CCCC1 ZINC001110161940 793043246 /nfs/dbraw/zinc/04/32/46/793043246.db2.gz ZMRGIUVGZNYBTQ-LTIDMASMSA-N 1 3 307.482 2.237 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C(C)C)N1CCCC1 ZINC001110161940 793043254 /nfs/dbraw/zinc/04/32/54/793043254.db2.gz ZMRGIUVGZNYBTQ-LTIDMASMSA-N 1 3 307.482 2.237 20 0 DEADHO CN(C)C(=O)N1CCC[C@@H](NC2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171625512 793157083 /nfs/dbraw/zinc/15/70/83/793157083.db2.gz KJJRBJDOBPDDPZ-CQSZACIVSA-N 1 3 324.513 2.373 20 0 DEADHO CN(C)C(=O)N1CCC[C@@H]([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171625512 793157087 /nfs/dbraw/zinc/15/70/87/793157087.db2.gz KJJRBJDOBPDDPZ-CQSZACIVSA-N 1 3 324.513 2.373 20 0 DEADHO C[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H](O)c1cccc(O)c1 ZINC001172111120 793331192 /nfs/dbraw/zinc/33/11/92/793331192.db2.gz QELXWVNBWUGKGI-IJCAJFLPSA-N 1 3 304.434 2.419 20 0 DEADHO C[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H](O)c1cccc(O)c1 ZINC001172111120 793331201 /nfs/dbraw/zinc/33/12/01/793331201.db2.gz QELXWVNBWUGKGI-IJCAJFLPSA-N 1 3 304.434 2.419 20 0 DEADHO COCc1cccc([C@@H](CO)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)c1 ZINC001172110452 793333087 /nfs/dbraw/zinc/33/30/87/793333087.db2.gz MZDFLMYTDUMNQO-AKHDSKFASA-N 1 3 318.461 2.471 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC3CC1(C(=O)N1CCCC1)C3)C2 ZINC001172115380 793338438 /nfs/dbraw/zinc/33/84/38/793338438.db2.gz GNQBCDAHFHFANO-WIAUISJOSA-N 1 3 317.477 2.089 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC3CC1(C(=O)N1CCCC1)C3)C2 ZINC001172115380 793338448 /nfs/dbraw/zinc/33/84/48/793338448.db2.gz GNQBCDAHFHFANO-WIAUISJOSA-N 1 3 317.477 2.089 20 0 DEADHO CN1[C@H]2COC[C@@H]1CC(N[C@@H](CC[NH+](C)C)c1ccccc1)C2 ZINC001172124302 793342466 /nfs/dbraw/zinc/34/24/66/793342466.db2.gz ALIHGCWXNTVOMD-IPQPSQTFSA-N 1 3 317.477 2.131 20 0 DEADHO O=C1CC[C@@H]2C[C@H]([NH2+]C3CCN(CC4CCCC4)CC3)CCN12 ZINC001172153060 793351313 /nfs/dbraw/zinc/35/13/13/793351313.db2.gz ABTRQUNXGBXHMC-QZTJIDSGSA-N 1 3 319.493 2.384 20 0 DEADHO [NH3+]C1(CC2CCC2)CCN([C@@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172161371 793356654 /nfs/dbraw/zinc/35/66/54/793356654.db2.gz VEWFHUGTTYQVBT-HZPDHXFCSA-N 1 3 305.466 2.123 20 0 DEADHO COCCC[NH+]1CCC(NCC[C@H](O)c2ccccc2)CC1 ZINC001172245635 793386796 /nfs/dbraw/zinc/38/67/96/793386796.db2.gz ZJFWHCZTWHYNFH-SFHVURJKSA-N 1 3 306.450 2.201 20 0 DEADHO C[C@@H]1C[N@H+](CC2CC2)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102375337 793594078 /nfs/dbraw/zinc/59/40/78/793594078.db2.gz DBWORRABLLYTIT-GDBMZVCRSA-N 1 3 309.498 2.058 20 0 DEADHO C[C@@H]1C[N@@H+](CC2CC2)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102375337 793594084 /nfs/dbraw/zinc/59/40/84/793594084.db2.gz DBWORRABLLYTIT-GDBMZVCRSA-N 1 3 309.498 2.058 20 0 DEADHO COc1cccc2c1C[C@H]([NH2+]CCCN1CCCCC1)CO2 ZINC001173156290 793611760 /nfs/dbraw/zinc/61/17/60/793611760.db2.gz LTHXTYZDLYYKCL-HNNXBMFYSA-N 1 3 304.434 2.464 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@H+](CCCC(C)C)C[C@H]1C ZINC001102532190 793644011 /nfs/dbraw/zinc/64/40/11/793644011.db2.gz ZEMPWAZAMBASPO-GDBMZVCRSA-N 1 3 320.481 2.381 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1C ZINC001102532190 793644018 /nfs/dbraw/zinc/64/40/18/793644018.db2.gz ZEMPWAZAMBASPO-GDBMZVCRSA-N 1 3 320.481 2.381 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C ZINC001102531793 793644250 /nfs/dbraw/zinc/64/42/50/793644250.db2.gz GAGWYGGKGHIVJC-UKRRQHHQSA-N 1 3 320.481 2.381 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C ZINC001102531793 793644258 /nfs/dbraw/zinc/64/42/58/793644258.db2.gz GAGWYGGKGHIVJC-UKRRQHHQSA-N 1 3 320.481 2.381 20 0 DEADHO CC[C@H]1CC[C@@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)C1 ZINC001173281928 793676602 /nfs/dbraw/zinc/67/66/02/793676602.db2.gz VGXOFMBKBXJDPP-PNKHAZJDSA-N 1 3 317.481 2.251 20 0 DEADHO CC[C@H]1CC[C@@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)C1 ZINC001173281928 793676605 /nfs/dbraw/zinc/67/66/05/793676605.db2.gz VGXOFMBKBXJDPP-PNKHAZJDSA-N 1 3 317.481 2.251 20 0 DEADHO CC1(C)CC(N)CC(C)(C)[NH+]1[C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173736179 793828386 /nfs/dbraw/zinc/82/83/86/793828386.db2.gz YMDJGBHRMPUVCS-KBPBESRZSA-N 1 3 306.458 2.137 20 0 DEADHO CCc1ccccc1C[NH2+]CCCNC(=O)Cc1nc[nH]c1C ZINC001174681709 794039523 /nfs/dbraw/zinc/03/95/23/794039523.db2.gz ADKARHDWCQUGAN-UHFFFAOYSA-N 1 3 314.433 2.119 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001103438746 794093979 /nfs/dbraw/zinc/09/39/79/794093979.db2.gz ZRRNTRHZOKAXCZ-IAGOWNOFSA-N 1 3 323.525 2.449 20 0 DEADHO CC(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001103438746 794093989 /nfs/dbraw/zinc/09/39/89/794093989.db2.gz ZRRNTRHZOKAXCZ-IAGOWNOFSA-N 1 3 323.525 2.449 20 0 DEADHO C[C@H](CCCC[NH2+]CC1CC1)NC(=O)CN1CCC(C)(C)C1 ZINC001175272159 794174254 /nfs/dbraw/zinc/17/42/54/794174254.db2.gz HVNWWJACEGJXMG-OAHLLOKOSA-N 1 3 309.498 2.393 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1ccccn1)N(C)C ZINC001175314945 794180264 /nfs/dbraw/zinc/18/02/64/794180264.db2.gz CWHVQOOLIYNDQB-WBVHZDCISA-N 1 3 320.481 2.186 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]C[C@H](CC)OC ZINC001176285249 794390435 /nfs/dbraw/zinc/39/04/35/794390435.db2.gz NYYDCBWTWNINQA-CVEARBPZSA-N 1 3 315.502 2.018 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@@H](C)c1ccccc1F ZINC001176986144 794546654 /nfs/dbraw/zinc/54/66/54/794546654.db2.gz FZCLSWUUMSXFOO-AWEZNQCLSA-N 1 3 309.429 2.323 20 0 DEADHO CCCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C(F)(F)F ZINC001112167166 794567073 /nfs/dbraw/zinc/56/70/73/794567073.db2.gz GIWLGJGKWZLHMZ-UPJWGTAASA-N 1 3 323.403 2.106 20 0 DEADHO CC[NH2+]CCCN(CC1CCCC1)C(=O)C1(N(C)C)CCC1 ZINC001177339951 794642923 /nfs/dbraw/zinc/64/29/23/794642923.db2.gz WLDUTHXQIURLJR-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001178356182 794907733 /nfs/dbraw/zinc/90/77/33/794907733.db2.gz JDPWSNCRTZPDCE-JOTZZJAKSA-N 1 3 307.482 2.406 20 0 DEADHO CCN(CC)CC(=O)NCC1([NH2+]C/C=C/Cl)CCCCC1 ZINC001115778747 794918128 /nfs/dbraw/zinc/91/81/28/794918128.db2.gz PSIKIHRJQVDJHS-DHZHZOJOSA-N 1 3 315.889 2.489 20 0 DEADHO CC[C@@H](F)C[NH2+]CCCCCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001178698486 794980950 /nfs/dbraw/zinc/98/09/50/794980950.db2.gz IXIOFIHECKIYLD-HZPDHXFCSA-N 1 3 315.477 2.341 20 0 DEADHO CN(CC(=O)NCCCCCC[NH2+]C/C=C\Cl)C1CCC1 ZINC001178705386 794983562 /nfs/dbraw/zinc/98/35/62/794983562.db2.gz ONGFQTODRDTKDW-YFHOEESVSA-N 1 3 315.889 2.489 20 0 DEADHO CC/C=C/CC[NH2+][C@H]1CCN(C(=O)CN2CC[C@H](C)C2)[C@H]1C ZINC001179538399 795134708 /nfs/dbraw/zinc/13/47/08/795134708.db2.gz CLLKSKRSGJYXHM-WEFMNJOJSA-N 1 3 307.482 2.264 20 0 DEADHO CC[C@@H](C)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC001179779190 795169858 /nfs/dbraw/zinc/16/98/58/795169858.db2.gz DRAWQNYXMZUAOQ-PVAVHDDUSA-N 1 3 309.498 2.343 20 0 DEADHO CCN(CC)CC(=O)NCCCCCC[NH2+]Cc1ccccn1 ZINC001179846476 795187715 /nfs/dbraw/zinc/18/77/15/795187715.db2.gz ILLIWHMREWOTGK-UHFFFAOYSA-N 1 3 320.481 2.190 20 0 DEADHO CCN(CC)CC(=O)NCCCCCC[NH2+]CC[C@H](C)F ZINC001179850642 795188004 /nfs/dbraw/zinc/18/80/04/795188004.db2.gz JNCARLQONMEZIG-HNNXBMFYSA-N 1 3 303.466 2.343 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CCF)C1 ZINC001120449079 795461752 /nfs/dbraw/zinc/46/17/52/795461752.db2.gz JDTFVHGIIFRDLU-CVEARBPZSA-N 1 3 313.461 2.001 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CCF)C1 ZINC001120449079 795461758 /nfs/dbraw/zinc/46/17/58/795461758.db2.gz JDTFVHGIIFRDLU-CVEARBPZSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@@H](CCNCCC(=O)Nc1ccc(N(C)C)cc1)[NH+](C)C ZINC001120581871 795490558 /nfs/dbraw/zinc/49/05/58/795490558.db2.gz NHEAJHRFESMURI-AWEZNQCLSA-N 1 3 306.454 2.011 20 0 DEADHO C[C@@H](CC[NH2+]CCC(=O)Nc1ccc(N(C)C)cc1)N(C)C ZINC001120581871 795490564 /nfs/dbraw/zinc/49/05/64/795490564.db2.gz NHEAJHRFESMURI-AWEZNQCLSA-N 1 3 306.454 2.011 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001182001633 795581286 /nfs/dbraw/zinc/58/12/86/795581286.db2.gz TXAOQAICVAIBPQ-MRXNPFEDSA-N 1 3 307.482 2.371 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC001181973688 795585298 /nfs/dbraw/zinc/58/52/98/795585298.db2.gz SUJNMAVTEZFNHN-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[N@H+]1CC[C@H](C(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC001181973688 795585304 /nfs/dbraw/zinc/58/53/04/795585304.db2.gz SUJNMAVTEZFNHN-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001185215632 796215197 /nfs/dbraw/zinc/21/51/97/796215197.db2.gz NALLFAIUVOKWKG-CABCVRRESA-N 1 3 306.454 2.073 20 0 DEADHO C[C@@H](N[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1F ZINC001185264097 796224468 /nfs/dbraw/zinc/22/44/68/796224468.db2.gz ACTWDGNPZYHWJX-HUUCEWRRSA-N 1 3 321.440 2.419 20 0 DEADHO CC(=O)[C@@H]1CCCN(Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001138773090 796273861 /nfs/dbraw/zinc/27/38/61/796273861.db2.gz QACDETAMICPVHX-QGZVFWFLSA-N 1 3 304.434 2.428 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001186452382 796402842 /nfs/dbraw/zinc/40/28/42/796402842.db2.gz OKBXFHUSAUYJDU-RHSMWYFYSA-N 1 3 321.440 2.419 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001186453125 796402990 /nfs/dbraw/zinc/40/29/90/796402990.db2.gz XZHRTMCCSXBBDG-VEGGFIAOSA-N 1 3 315.461 2.232 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2csc(C)c2)C1 ZINC001187321899 796517810 /nfs/dbraw/zinc/51/78/10/796517810.db2.gz HKBGPFKYQYDIPO-OAHLLOKOSA-N 1 3 309.479 2.089 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001188158186 796641273 /nfs/dbraw/zinc/64/12/73/796641273.db2.gz GIYFAZIXNFQVPX-QGZVFWFLSA-N 1 3 307.482 2.408 20 0 DEADHO CCCC[N@H+]1CC=C(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001161219909 796694349 /nfs/dbraw/zinc/69/43/49/796694349.db2.gz QCQHTKQZNUGXKE-MRXNPFEDSA-N 1 3 307.482 2.267 20 0 DEADHO CCCC[N@@H+]1CC=C(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001161219909 796694352 /nfs/dbraw/zinc/69/43/52/796694352.db2.gz QCQHTKQZNUGXKE-MRXNPFEDSA-N 1 3 307.482 2.267 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC(C)C)C[C@H]21)N(CC)CC ZINC001189110207 796764614 /nfs/dbraw/zinc/76/46/14/796764614.db2.gz NBMPPFRAQNQYRR-YESZJQIVSA-N 1 3 309.498 2.296 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC(C)C)C[C@H]21)N(CC)CC ZINC001189110207 796764616 /nfs/dbraw/zinc/76/46/16/796764616.db2.gz NBMPPFRAQNQYRR-YESZJQIVSA-N 1 3 309.498 2.296 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]Cc1cc(C)ccc1F ZINC001161226974 796817475 /nfs/dbraw/zinc/81/74/75/796817475.db2.gz SBAOIYXOSAQCED-UHFFFAOYSA-N 1 3 323.456 2.460 20 0 DEADHO CC(C)=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001190653552 797049087 /nfs/dbraw/zinc/04/90/87/797049087.db2.gz DMWNWKLANCKSFJ-QZTJIDSGSA-N 1 3 321.509 2.463 20 0 DEADHO CC(C)=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001190653552 797049094 /nfs/dbraw/zinc/04/90/94/797049094.db2.gz DMWNWKLANCKSFJ-QZTJIDSGSA-N 1 3 321.509 2.463 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCCCCF)C1)N(C)C ZINC001190775983 797074795 /nfs/dbraw/zinc/07/47/95/797074795.db2.gz LKRMDXPVDNVKIZ-HOTGVXAUSA-N 1 3 315.477 2.245 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCCCCF)C1)N(C)C ZINC001190775983 797074799 /nfs/dbraw/zinc/07/47/99/797074799.db2.gz LKRMDXPVDNVKIZ-HOTGVXAUSA-N 1 3 315.477 2.245 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NCC[NH2+]Cc1ccccc1 ZINC001152394080 797182748 /nfs/dbraw/zinc/18/27/48/797182748.db2.gz ZWLOUAGSDJFHQC-UHFFFAOYSA-N 1 3 311.429 2.268 20 0 DEADHO CC(C)N(C)CC(=O)NCC[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC001152426299 797186033 /nfs/dbraw/zinc/18/60/33/797186033.db2.gz FRKQNOTVYUIYLL-INIZCTEOSA-N 1 3 323.868 2.373 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cc(C)ccc1C ZINC001152446341 797188900 /nfs/dbraw/zinc/18/89/00/797188900.db2.gz XWXZSTXSLMAHIC-SFHVURJKSA-N 1 3 317.477 2.384 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)OC(C)C)[C@@H](C)C1 ZINC001193648647 797603122 /nfs/dbraw/zinc/60/31/22/797603122.db2.gz HQLGBHNUUHIHGA-HOTGVXAUSA-N 1 3 314.470 2.055 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)OC(C)C)[C@@H](C)C1 ZINC001193648647 797603123 /nfs/dbraw/zinc/60/31/23/797603123.db2.gz HQLGBHNUUHIHGA-HOTGVXAUSA-N 1 3 314.470 2.055 20 0 DEADHO CC(C)C[C@H](C)C[N@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194040700 797668632 /nfs/dbraw/zinc/66/86/32/797668632.db2.gz RTXQMESPMHJZTC-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[C@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194040700 797668637 /nfs/dbraw/zinc/66/86/37/797668637.db2.gz RTXQMESPMHJZTC-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)=CCN(C)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194238093 797698447 /nfs/dbraw/zinc/69/84/47/797698447.db2.gz IGJAKOJIYLOCHR-KRWDZBQOSA-N 1 3 307.482 2.361 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)CCc2cccs2)C1 ZINC001194294953 797710664 /nfs/dbraw/zinc/71/06/64/797710664.db2.gz NPNOLSCCHQBEIV-HNNXBMFYSA-N 1 3 323.506 2.164 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)CCc2cccs2)C1 ZINC001194294953 797710666 /nfs/dbraw/zinc/71/06/66/797710666.db2.gz NPNOLSCCHQBEIV-HNNXBMFYSA-N 1 3 323.506 2.164 20 0 DEADHO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1nc(C)cc2[nH]ccc21 ZINC001155230754 797713599 /nfs/dbraw/zinc/71/35/99/797713599.db2.gz MAEINUVCOBYCPM-OAHLLOKOSA-N 1 3 318.421 2.414 20 0 DEADHO CN(C)Cc1ccnc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)c1 ZINC001155461484 797762635 /nfs/dbraw/zinc/76/26/35/797762635.db2.gz FAKHYYCIJWMLML-MRXNPFEDSA-N 1 3 313.449 2.166 20 0 DEADHO Cc1cc(-c2cccc(F)c2)nnc1NC(=N)NCCCC[NH3+] ZINC001157102477 798144062 /nfs/dbraw/zinc/14/40/62/798144062.db2.gz YTLOYMQFEIJJLW-UHFFFAOYSA-N 1 3 316.384 2.266 20 0 DEADHO CC1(C)[C@H](C(=O)N2CCN(CC3CCCCC3)CC2)C[C@@H]1[NH3+] ZINC001157578904 798234746 /nfs/dbraw/zinc/23/47/46/798234746.db2.gz GAVXPEVJQXVEIB-HOTGVXAUSA-N 1 3 307.482 2.084 20 0 DEADHO CCC[N@H+]1C[C@H]2CN(c3ncccc3CN3CCCC3)C[C@H]2C1 ZINC001157698187 798260763 /nfs/dbraw/zinc/26/07/63/798260763.db2.gz DODKJEXBEJZIFJ-HDICACEKSA-N 1 3 314.477 2.455 20 0 DEADHO CCC[N@@H+]1C[C@H]2CN(c3ncccc3CN3CCCC3)C[C@H]2C1 ZINC001157698187 798260764 /nfs/dbraw/zinc/26/07/64/798260764.db2.gz DODKJEXBEJZIFJ-HDICACEKSA-N 1 3 314.477 2.455 20 0 DEADHO C[NH+]1CCC(CN2CCN(c3ccc4occc4n3)CC2)CC1 ZINC001157837814 798290600 /nfs/dbraw/zinc/29/06/00/798290600.db2.gz IDJOLFMYCHTIPY-UHFFFAOYSA-N 1 3 314.433 2.292 20 0 DEADHO Cc1nc2ccsc2c(N2CCC([N@@H+]3CC[C@@H](N)C3)CC2)n1 ZINC001158258319 798368697 /nfs/dbraw/zinc/36/86/97/798368697.db2.gz WDFKAGXECDIQJI-GFCCVEGCSA-N 1 3 317.462 2.002 20 0 DEADHO Cc1nc2ccsc2c(N2CCC([N@H+]3CC[C@@H](N)C3)CC2)n1 ZINC001158258319 798368702 /nfs/dbraw/zinc/36/87/02/798368702.db2.gz WDFKAGXECDIQJI-GFCCVEGCSA-N 1 3 317.462 2.002 20 0 DEADHO Cc1cc2c(ncnc2N2CCC([N@@H+]3CC[C@H](N)C3)CC2)s1 ZINC001158258322 798368936 /nfs/dbraw/zinc/36/89/36/798368936.db2.gz WEGMIYUIQPJBAR-LBPRGKRZSA-N 1 3 317.462 2.002 20 0 DEADHO Cc1cc2c(ncnc2N2CCC([N@H+]3CC[C@H](N)C3)CC2)s1 ZINC001158258322 798368942 /nfs/dbraw/zinc/36/89/42/798368942.db2.gz WEGMIYUIQPJBAR-LBPRGKRZSA-N 1 3 317.462 2.002 20 0 DEADHO [NH3+]C1CCN(CCc2cn(-c3cccnn3)c3ccccc23)CC1 ZINC001159459951 798566823 /nfs/dbraw/zinc/56/68/23/798566823.db2.gz IJWPKOWZDHTZMF-UHFFFAOYSA-N 1 3 321.428 2.386 20 0 DEADHO Cc1cc(C)cc(C[NH2+]CCCNC(=O)C2(N(C)C)CCC2)c1 ZINC001159854226 798618746 /nfs/dbraw/zinc/61/87/46/798618746.db2.gz MZSKWNOEZUNUIM-UHFFFAOYSA-N 1 3 317.477 2.384 20 0 DEADHO Cc1cc(C[NH2+]CCCNC(=O)C2(N(C)C)CCC2)cs1 ZINC001159854978 798618798 /nfs/dbraw/zinc/61/87/98/798618798.db2.gz YMVFZFKNWFKBNW-UHFFFAOYSA-N 1 3 309.479 2.137 20 0 DEADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CCCc1ccsc1)C1CC1 ZINC001159924379 798627161 /nfs/dbraw/zinc/62/71/61/798627161.db2.gz JUMNPVOLHPSCIY-MRXNPFEDSA-N 1 3 323.506 2.117 20 0 DEADHO C[C@@H]([NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C)c1cccc(F)c1 ZINC001159932608 798627785 /nfs/dbraw/zinc/62/77/85/798627785.db2.gz SNLBFTZSOCORFM-DYVFJYSZSA-N 1 3 321.440 2.323 20 0 DEADHO CN(CC(=O)NCCC[NH2+][C@H]1CCc2ccccc21)C1CCC1 ZINC001159997619 798637877 /nfs/dbraw/zinc/63/78/77/798637877.db2.gz USFASRUONUQRIW-SFHVURJKSA-N 1 3 315.461 2.254 20 0 DEADHO C[C@H]([NH2+]CCCNC(=O)CN(C)C1CCC1)c1ccccc1 ZINC001160003653 798638735 /nfs/dbraw/zinc/63/87/35/798638735.db2.gz YMNNHTSDHCAOAL-HNNXBMFYSA-N 1 3 303.450 2.328 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001160421965 798686671 /nfs/dbraw/zinc/68/66/71/798686671.db2.gz YWKDMUQFALQCDK-INIZCTEOSA-N 1 3 309.429 2.008 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160427826 798686780 /nfs/dbraw/zinc/68/67/80/798686780.db2.gz UZRGZFXPHZDWCG-KRWDZBQOSA-N 1 3 323.456 2.316 20 0 DEADHO CC(C)CCC[NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001201066918 798707302 /nfs/dbraw/zinc/70/73/02/798707302.db2.gz TXRBWADKMSTTGP-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CN(CC(=O)N1CCC([NH2+]CCC(C)(C)C)CC1)C1CCC1 ZINC001201066596 798707507 /nfs/dbraw/zinc/70/75/07/798707507.db2.gz MFBNGRGUWWTEJK-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO C[NH+](C)C1(C)CN(C(=O)[C@@H]2CCC[C@@H](c3ccccc3)N2)C1 ZINC001160644260 798714776 /nfs/dbraw/zinc/71/47/76/798714776.db2.gz AYCIYKIKQBJWTM-HOTGVXAUSA-N 1 3 301.434 2.032 20 0 DEADHO CN(C)Cc1ccnc(N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)c1 ZINC001160743147 798734305 /nfs/dbraw/zinc/73/43/05/798734305.db2.gz MCJCPTUZCLMVLC-NEPJUHHUSA-N 1 3 302.344 2.096 20 0 DEADHO CN(C(=O)[C@@H](N)CCCC[NH+](C)C)[C@H](C1CCC1)C(F)(F)F ZINC001160774287 798739404 /nfs/dbraw/zinc/73/94/04/798739404.db2.gz RSZMMYTXDIDMMB-QWHCGFSZSA-N 1 3 323.403 2.235 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001160889480 798755871 /nfs/dbraw/zinc/75/58/71/798755871.db2.gz KNTXVIBESAHLIP-MRXNPFEDSA-N 1 3 309.429 2.070 20 0 DEADHO Cc1nc(-n2cc(CC[NH3+])c3cnccc32)cc(N2CCCC2)n1 ZINC001160944499 798767439 /nfs/dbraw/zinc/76/74/39/798767439.db2.gz NRTQMRXHERSTOR-UHFFFAOYSA-N 1 3 322.416 2.225 20 0 DEADHO CN(C(=O)[C@H](N)C12CC3CC(CC(C3)C1)C2)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161061562 798789689 /nfs/dbraw/zinc/78/96/89/798789689.db2.gz HEVRRVIZSHXERP-KORSBBGSSA-N 1 3 319.493 2.258 20 0 DEADHO CCCN(C)CC(=O)NCCC1=CC[N@H+](CC[C@H](C)F)CC1 ZINC001161755186 798930278 /nfs/dbraw/zinc/93/02/78/798930278.db2.gz PVWXJQDLULAVMY-HNNXBMFYSA-N 1 3 313.461 2.215 20 0 DEADHO CCCN(C)CC(=O)NCCC1=CC[N@@H+](CC[C@H](C)F)CC1 ZINC001161755186 798930283 /nfs/dbraw/zinc/93/02/83/798930283.db2.gz PVWXJQDLULAVMY-HNNXBMFYSA-N 1 3 313.461 2.215 20 0 DEADHO CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001110694893 798970334 /nfs/dbraw/zinc/97/03/34/798970334.db2.gz RANJDNKQYHKZTH-NCOADZHNSA-N 1 3 309.498 2.340 20 0 DEADHO CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001110694893 798970339 /nfs/dbraw/zinc/97/03/39/798970339.db2.gz RANJDNKQYHKZTH-NCOADZHNSA-N 1 3 309.498 2.340 20 0 DEADHO CCCCC[NH2+]C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001202526833 799106219 /nfs/dbraw/zinc/10/62/19/799106219.db2.gz QPJHHHLZMXCRJY-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CN(CC(=O)N1CCC([NH2+]C/C=C/Cl)CC1)CC(C)(C)C ZINC001202540006 799164442 /nfs/dbraw/zinc/16/44/42/799164442.db2.gz SHSLWPQWVHHFJY-VMPITWQZSA-N 1 3 315.889 2.297 20 0 DEADHO CCc1nc(NC(=N)NCC[NH+](CC)CC)c(Cl)nc1C ZINC001163129503 799254472 /nfs/dbraw/zinc/25/44/72/799254472.db2.gz LNUHIFKIGDFCGO-UHFFFAOYSA-N 1 3 312.849 2.279 20 0 DEADHO [NH3+]C1CCN(c2cccc(NCc3cnn4ccccc34)n2)CC1 ZINC001163282497 799298880 /nfs/dbraw/zinc/29/88/80/799298880.db2.gz QQAYOLQOEGLGLU-UHFFFAOYSA-N 1 3 322.416 2.269 20 0 DEADHO C[NH+](C)CC1CCC(Nc2cccc(N3CCOCC3)n2)CC1 ZINC001163301686 799303661 /nfs/dbraw/zinc/30/36/61/799303661.db2.gz QBXMYORKUFEEJN-UHFFFAOYSA-N 1 3 318.465 2.451 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]C/C=C\c2ccccc2)CC1 ZINC001202667777 799353803 /nfs/dbraw/zinc/35/38/03/799353803.db2.gz MVLPBEMFRQEVIS-DAXSKMNVSA-N 1 3 324.428 2.246 20 0 DEADHO CC(C)N(CCC[NH3+])c1nc(CN)ccc1NC(=O)C(C)(C)C ZINC001164121023 799514988 /nfs/dbraw/zinc/51/49/88/799514988.db2.gz DNCHEMKAPQWROS-UHFFFAOYSA-N 1 3 321.469 2.089 20 0 DEADHO CC(C)Oc1cc(NCC2(N(C)C)CC[NH+](C)CC2)ccn1 ZINC001164212107 799540754 /nfs/dbraw/zinc/54/07/54/799540754.db2.gz YOCVMJZQHURLSG-UHFFFAOYSA-N 1 3 306.454 2.307 20 0 DEADHO CC1(C)CCN(CC(=O)NCCC[NH2+]CC2=CCCCC2)C1 ZINC001166765124 799944871 /nfs/dbraw/zinc/94/48/71/799944871.db2.gz SKNKYBILDFBDKT-UHFFFAOYSA-N 1 3 307.482 2.315 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([NH2+]CC=C(Cl)Cl)CC1 ZINC001203925653 800146836 /nfs/dbraw/zinc/14/68/36/800146836.db2.gz UASUDVJALYQEGP-UHFFFAOYSA-N 1 3 322.280 2.226 20 0 DEADHO COCCN(CCOC)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204267095 800197302 /nfs/dbraw/zinc/19/73/02/800197302.db2.gz PZNGRYSTALBKLZ-UHFFFAOYSA-N 1 3 324.465 2.112 20 0 DEADHO NC[C@@]1(O)CCCC[N@H+](Cc2ccc3cc(O)ccc3c2)C1 ZINC001205683023 800401146 /nfs/dbraw/zinc/40/11/46/800401146.db2.gz WLGHLDWEYRRIKC-SFHVURJKSA-N 1 3 300.402 2.221 20 0 DEADHO NC[C@@]1(O)CCCC[N@@H+](Cc2ccc3cc(O)ccc3c2)C1 ZINC001205683023 800401148 /nfs/dbraw/zinc/40/11/48/800401148.db2.gz WLGHLDWEYRRIKC-SFHVURJKSA-N 1 3 300.402 2.221 20 0 DEADHO [NH3+]C[C@@]1(O)CCCCN(Cc2ccc3cc(O)ccc3c2)C1 ZINC001205683023 800401150 /nfs/dbraw/zinc/40/11/50/800401150.db2.gz WLGHLDWEYRRIKC-SFHVURJKSA-N 1 3 300.402 2.221 20 0 DEADHO C[C@H]1CN(Cc2cnnn2Cc2ccccc2)CCC[C@H]1C[NH3+] ZINC001206024315 800460470 /nfs/dbraw/zinc/46/04/70/800460470.db2.gz IKIURTFWLNVWGE-RDJZCZTQSA-N 1 3 313.449 2.133 20 0 DEADHO COC(=O)c1cccc2[nH]cc(C[N@H+]3CC[C@@H](F)[C@@H](N)CC3)c21 ZINC001206173427 800483228 /nfs/dbraw/zinc/48/32/28/800483228.db2.gz HIGSHTMFZVEIDV-KGLIPLIRSA-N 1 3 319.380 2.216 20 0 DEADHO COC(=O)c1cccc2[nH]cc(C[N@@H+]3CC[C@@H](F)[C@@H](N)CC3)c21 ZINC001206173427 800483231 /nfs/dbraw/zinc/48/32/31/800483231.db2.gz HIGSHTMFZVEIDV-KGLIPLIRSA-N 1 3 319.380 2.216 20 0 DEADHO COC(=O)COc1ccc(CN2CCCC[C@@](C)(C[NH3+])C2)cc1 ZINC001206556884 800554587 /nfs/dbraw/zinc/55/45/87/800554587.db2.gz ZGUPHXDOZFWVON-SFHVURJKSA-N 1 3 320.433 2.189 20 0 DEADHO C[NH+](C)CC(C)(C)CN1CCC(C)(C(=O)N2CCCC2)CC1 ZINC001207282315 800721928 /nfs/dbraw/zinc/72/19/28/800721928.db2.gz HRESEBTXSPWIPW-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO C[NH+](C)CC(C)(C)CN1CC[C@]2(C1)c1ccccc1NC2=O ZINC001207282738 800722878 /nfs/dbraw/zinc/72/28/78/800722878.db2.gz VUFCOEZYYYGCQV-SFHVURJKSA-N 1 3 301.434 2.170 20 0 DEADHO OC[C@@H]1C[C@H](F)CN1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207286905 800723942 /nfs/dbraw/zinc/72/39/42/800723942.db2.gz PBQVFZUBTAIRCG-ROUUACIJSA-N 1 3 306.425 2.303 20 0 DEADHO C[NH+]1CCC2(CN(C[C@H]3CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001207379279 800740192 /nfs/dbraw/zinc/74/01/92/800740192.db2.gz UNNLLSRINXQKNB-OAHLLOKOSA-N 1 3 323.481 2.414 20 0 DEADHO CCC[NH+](CCC)CCCN1CCN(CC2(C)COC2)CC1 ZINC001207799620 800837269 /nfs/dbraw/zinc/83/72/69/800837269.db2.gz GMYIDJJCSXSJHY-UHFFFAOYSA-N 1 3 311.514 2.153 20 0 DEADHO CN1CC2(CC1=O)CCN(CC1(C[NH+](C)C)CCCC1)CC2 ZINC001208188026 800925352 /nfs/dbraw/zinc/92/53/52/800925352.db2.gz RTBGWSHDHYGBKG-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO Cc1nccnc1O[C@H]1CC[N@@H+](CC2(CN(C)C)CCCC2)C1 ZINC001208188661 800926348 /nfs/dbraw/zinc/92/63/48/800926348.db2.gz MSDMZAMTLVVRTO-INIZCTEOSA-N 1 3 318.465 2.360 20 0 DEADHO Cc1nccnc1O[C@H]1CC[N@H+](CC2(CN(C)C)CCCC2)C1 ZINC001208188661 800926352 /nfs/dbraw/zinc/92/63/52/800926352.db2.gz MSDMZAMTLVVRTO-INIZCTEOSA-N 1 3 318.465 2.360 20 0 DEADHO CN1CCC[C@H](C[N@@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)C1 ZINC001208609801 801030555 /nfs/dbraw/zinc/03/05/55/801030555.db2.gz NAUOTIINPLQDEV-GBESFXJTSA-N 1 3 314.477 2.072 20 0 DEADHO CN1CCC[C@H](C[N@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)C1 ZINC001208609801 801030560 /nfs/dbraw/zinc/03/05/60/801030560.db2.gz NAUOTIINPLQDEV-GBESFXJTSA-N 1 3 314.477 2.072 20 0 DEADHO CN(C[C@@H]1CCC[N@H+](C)C1)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001208614028 801032809 /nfs/dbraw/zinc/03/28/09/801032809.db2.gz CKCQLYCOUKVEGB-WCVJEAGWSA-N 1 3 323.481 2.125 20 0 DEADHO CN(C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001208614028 801032811 /nfs/dbraw/zinc/03/28/11/801032811.db2.gz CKCQLYCOUKVEGB-WCVJEAGWSA-N 1 3 323.481 2.125 20 0 DEADHO CN1CCC[C@H](C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)C1 ZINC001208617998 801037764 /nfs/dbraw/zinc/03/77/64/801037764.db2.gz QVSAQSDOIUYSNJ-JSGCOSHPSA-N 1 3 308.388 2.354 20 0 DEADHO COC(=O)[C@@H](C)CN1C[C@@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001208713435 801051766 /nfs/dbraw/zinc/05/17/66/801051766.db2.gz PQEVZXJYGLYTRQ-RYQLBKOJSA-N 1 3 316.445 2.168 20 0 DEADHO COC(=O)[C@@H](C)CN1C[C@@H]2C[N@H+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001208713435 801051771 /nfs/dbraw/zinc/05/17/71/801051771.db2.gz PQEVZXJYGLYTRQ-RYQLBKOJSA-N 1 3 316.445 2.168 20 0 DEADHO CC(C)C(=O)N1CC[C@H]2C[N@H+](CCCN3CCCCC3)CC[C@@H]21 ZINC001209450131 801192923 /nfs/dbraw/zinc/19/29/23/801192923.db2.gz JPUCBZFOGVWSOD-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C(=O)N1CC[C@H]2C[N@@H+](CCCN3CCCCC3)CC[C@@H]21 ZINC001209450131 801192928 /nfs/dbraw/zinc/19/29/28/801192928.db2.gz JPUCBZFOGVWSOD-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO COc1cc(CN2CCC3(C2)CC[NH+](C)CC3)cnc1OC ZINC001209617244 801235347 /nfs/dbraw/zinc/23/53/47/801235347.db2.gz HRBUSUFXYDUZGI-UHFFFAOYSA-N 1 3 305.422 2.017 20 0 DEADHO CC[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209659683 801248636 /nfs/dbraw/zinc/24/86/36/801248636.db2.gz HHFYYPUKUVMRSW-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1)N(C)C ZINC001209669578 801250897 /nfs/dbraw/zinc/25/08/97/801250897.db2.gz PQUHNYCKFSOSNI-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](F)CC[NH2+][C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001209690048 801256114 /nfs/dbraw/zinc/25/61/14/801256114.db2.gz NYALECCEWGBEBE-CABCVRRESA-N 1 3 315.477 2.293 20 0 DEADHO C[C@H]1CN(Cc2c[nH+]ccc2N)CCC[C@]1(O)C(F)(F)F ZINC001209729387 801265410 /nfs/dbraw/zinc/26/54/10/801265410.db2.gz JIDZMKDGKPXYCS-GXFFZTMASA-N 1 3 303.328 2.019 20 0 DEADHO CC(C)(C)OC(=O)NC[C@@]1(C)CCN(Cc2c[nH+]ccc2N)C1 ZINC001209732610 801268659 /nfs/dbraw/zinc/26/86/59/801268659.db2.gz JSRHIUQAGHRQNJ-QGZVFWFLSA-N 1 3 320.437 2.231 20 0 DEADHO CCN(CC)CC(=O)NC1CC[NH+](CCCCCF)CC1 ZINC001229678891 801303606 /nfs/dbraw/zinc/30/36/06/801303606.db2.gz MFYHQAUZXJZRCG-UHFFFAOYSA-N 1 3 301.450 2.049 20 0 DEADHO CC(C)N(C)CC(=O)NC1CC[NH+](CCCC2CCC2)CC1 ZINC001230366702 801394099 /nfs/dbraw/zinc/39/40/99/801394099.db2.gz DOQAIEBUQZGCRF-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](F)CN[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210744634 801456517 /nfs/dbraw/zinc/45/65/17/801456517.db2.gz SNUCWOUYRWIDJM-GJZGRUSLSA-N 1 3 301.450 2.047 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001210812240 801468202 /nfs/dbraw/zinc/46/82/02/801468202.db2.gz VNKKLTUIACGCKS-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001211282389 801541814 /nfs/dbraw/zinc/54/18/14/801541814.db2.gz AGRXAYKJPOPTBL-MRXNPFEDSA-N 1 3 309.498 2.343 20 0 DEADHO CCc1ccc(CN2CCN(CC3CC[NH+](C)CC3)CC2)nc1 ZINC001231647591 801703991 /nfs/dbraw/zinc/70/39/91/801703991.db2.gz ZEIKKRMMNXGTHY-UHFFFAOYSA-N 1 3 316.493 2.103 20 0 DEADHO COC(=O)C[C@@H]1CCCN1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232146521 801800839 /nfs/dbraw/zinc/80/08/39/801800839.db2.gz RVBQIYPRFOZALK-INIZCTEOSA-N 1 3 308.397 2.415 20 0 DEADHO N#Cc1ccc([C@H](O)C[N@@H+]2C[C@@H](c3ccccc3)[C@H](N)C2)cc1 ZINC000402178811 801867951 /nfs/dbraw/zinc/86/79/51/801867951.db2.gz VMRRMWPCNIXKCZ-IPMKNSEASA-N 1 3 307.397 2.018 20 0 DEADHO N#Cc1ccc([C@H](O)C[N@H+]2C[C@@H](c3ccccc3)[C@H](N)C2)cc1 ZINC000402178811 801867957 /nfs/dbraw/zinc/86/79/57/801867957.db2.gz VMRRMWPCNIXKCZ-IPMKNSEASA-N 1 3 307.397 2.018 20 0 DEADHO CC(C)CCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001215536377 801873481 /nfs/dbraw/zinc/87/34/81/801873481.db2.gz OZIQSRVUFLKCJF-BRWVUGGUSA-N 1 3 309.498 2.343 20 0 DEADHO CCCCCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001215539833 801873555 /nfs/dbraw/zinc/87/35/55/801873555.db2.gz AARIDCRRWWUWLQ-IXDOHACOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001215551513 801875716 /nfs/dbraw/zinc/87/57/16/801875716.db2.gz TYEWZXYDSSRLDK-HZPDHXFCSA-N 1 3 307.482 2.121 20 0 DEADHO CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001215681340 801893602 /nfs/dbraw/zinc/89/36/02/801893602.db2.gz VUBXTPBTBWUWOL-QNQFUXMYSA-N 1 3 304.438 2.135 20 0 DEADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC001215680690 801893816 /nfs/dbraw/zinc/89/38/16/801893816.db2.gz JGBLZIJLHFGBEC-ZEDVSWOJSA-N 1 3 324.428 2.102 20 0 DEADHO C[NH+](C)CCN1CCN(Cc2ccccc2-n2cccc2)CC1 ZINC001232907584 801980198 /nfs/dbraw/zinc/98/01/98/801980198.db2.gz KAZRBAJDAXOQDL-UHFFFAOYSA-N 1 3 312.461 2.157 20 0 DEADHO N[C@@H](C(=O)Nc1cncc(C[NH3+])c1)C12CC3CC(CC(C3)C1)C2 ZINC001218704924 802229896 /nfs/dbraw/zinc/22/98/96/802229896.db2.gz FAJGNFWFMPZARO-CYPWDGBBSA-N 1 3 314.433 2.023 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cccc2nccnc21 ZINC001218913928 802259012 /nfs/dbraw/zinc/25/90/12/802259012.db2.gz RCSPAKPYOYZXKS-ZDUSSCGKSA-N 1 3 315.421 2.064 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cccc2c1COC2 ZINC001219112424 802284851 /nfs/dbraw/zinc/28/48/51/802284851.db2.gz GSNOUSZAERGPRG-HNNXBMFYSA-N 1 3 305.422 2.151 20 0 DEADHO N[C@@H](CCCC[NH3+])C(=O)Nc1cccc2c(Cl)ccnc12 ZINC001219114283 802284876 /nfs/dbraw/zinc/28/48/76/802284876.db2.gz GFXMMNXNSIWMBI-LBPRGKRZSA-N 1 3 306.797 2.283 20 0 DEADHO Cc1[nH]c2c(cccc2NC(=O)[C@H](N)C2CC[NH2+]CC2)c1C ZINC001219341216 802313893 /nfs/dbraw/zinc/31/38/93/802313893.db2.gz CLDCKENFKXRUIS-OAHLLOKOSA-N 1 3 300.406 2.050 20 0 DEADHO CCCCCCN1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001234344717 802358263 /nfs/dbraw/zinc/35/82/63/802358263.db2.gz BHTCZJDOYWSJER-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO O=C(NCc1ccccc1C1CC1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220003918 802399910 /nfs/dbraw/zinc/39/99/10/802399910.db2.gz XUMGWCCWZSKDLU-KRWDZBQOSA-N 1 3 313.445 2.054 20 0 DEADHO O=C(NCc1ccccc1C1CC1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220003918 802399915 /nfs/dbraw/zinc/39/99/15/802399915.db2.gz XUMGWCCWZSKDLU-KRWDZBQOSA-N 1 3 313.445 2.054 20 0 DEADHO N[C@@H](CCCC[NH3+])C(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC001220441242 802461580 /nfs/dbraw/zinc/46/15/80/802461580.db2.gz VPDFEDYPIOHSBK-IRXDYDNUSA-N 1 3 303.450 2.490 20 0 DEADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCc1nnc2ccccn21 ZINC000316334807 802507398 /nfs/dbraw/zinc/50/73/98/802507398.db2.gz CZWJQHQTMOUSNA-HUUCEWRRSA-N 1 3 301.438 2.172 20 0 DEADHO CCCC(C[NH3+])(CCC)NC(=O)[C@@H](N)C1Cc2ccccc2C1 ZINC001221371111 802560969 /nfs/dbraw/zinc/56/09/69/802560969.db2.gz BBOFVYZIEZBHKB-KRWDZBQOSA-N 1 3 317.477 2.143 20 0 DEADHO Cn1ccc2c1cccc2CN1CCNC[C@@]2(CCCC[NH2+]2)C1 ZINC001222675031 802727205 /nfs/dbraw/zinc/72/72/05/802727205.db2.gz UKZQDKSVVWVFPY-IBGZPJMESA-N 1 3 312.461 2.096 20 0 DEADHO CC[C@H](C)C[NH+]1CCC(CNC(=O)CN2CCC[C@H]2C)CC1 ZINC001224535166 802879634 /nfs/dbraw/zinc/87/96/34/802879634.db2.gz DEVWPFBAUYDSJN-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCC1CC[NH+](CC2CCCC2)CC1 ZINC001224535718 802880852 /nfs/dbraw/zinc/88/08/52/802880852.db2.gz JDJSXQUJYVNTQL-INIZCTEOSA-N 1 3 321.509 2.489 20 0 DEADHO C[NH+](C)CCCCO[C@H]1COCCN(Cc2ccccc2)C1 ZINC001224991698 802925077 /nfs/dbraw/zinc/92/50/77/802925077.db2.gz YXHILVUXPUBWIQ-GOSISDBHSA-N 1 3 306.450 2.246 20 0 DEADHO CCCN(C)CC(=O)NCC1CC[NH+](Cc2ccsc2)CC1 ZINC001225252145 802947539 /nfs/dbraw/zinc/94/75/39/802947539.db2.gz NCTQAIYADRHPQU-UHFFFAOYSA-N 1 3 323.506 2.418 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1CC[NH+](CC2CCC2)CC1 ZINC001225541370 802979432 /nfs/dbraw/zinc/97/94/32/802979432.db2.gz AWDURWZGKFDKOE-HZPDHXFCSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@@H]([NH2+]C/C=C/Cl)C2)CCC1 ZINC001418356908 1167594140 /nfs/dbraw/zinc/59/41/40/1167594140.db2.gz AQINBHMRDJCSQY-UXTPFJKYSA-N 1 3 313.873 2.240 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](CNC(=O)CN(C)C(C)C)C2CC2)cc1 ZINC001370270547 1149452163 /nfs/dbraw/zinc/45/21/63/1149452163.db2.gz FYADRWQWPVAGGL-SFHVURJKSA-N 1 3 317.477 2.320 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001370406394 1149654142 /nfs/dbraw/zinc/65/41/42/1149654142.db2.gz SWIVHFKPTFBECA-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CC1CCCC1 ZINC001420681133 1169866058 /nfs/dbraw/zinc/86/60/58/1169866058.db2.gz SMOBBMACMSAUIH-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC1CCCC1 ZINC001420681133 1169866059 /nfs/dbraw/zinc/86/60/59/1169866059.db2.gz SMOBBMACMSAUIH-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001404095837 1163440397 /nfs/dbraw/zinc/44/03/97/1163440397.db2.gz WLKXNIZMYKYNDR-IRXDYDNUSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)CCC[N@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001404095837 1163440401 /nfs/dbraw/zinc/44/04/01/1163440401.db2.gz WLKXNIZMYKYNDR-IRXDYDNUSA-N 1 3 311.514 2.447 20 0 DEADHO CC[C@@H](C(=O)N(C)C[C@H]1CCN1CC1CCC1)[NH+](CC)CC ZINC001368395243 1148431300 /nfs/dbraw/zinc/43/13/00/1148431300.db2.gz BMOFASIWTXNYPY-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)(C)OC(=O)N1CC=C(CC[NH2+]CC23CC(C2)CN3)CC1 ZINC001575172686 1069385811 /nfs/dbraw/zinc/38/58/11/1069385811.db2.gz OAWZWXNYEVYBAX-UHFFFAOYSA-N 1 3 321.465 2.285 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC1([NH2+]CC2CC2)CCC1 ZINC001368485043 1148462923 /nfs/dbraw/zinc/46/29/23/1148462923.db2.gz SBSXLVLAGGQCKO-INIZCTEOSA-N 1 3 307.482 2.288 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CC1CC1)C1CC1 ZINC001425482357 1174336170 /nfs/dbraw/zinc/33/61/70/1174336170.db2.gz DQDHEWORDFSLCV-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)=CCN(C)C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001328781492 1148834560 /nfs/dbraw/zinc/83/45/60/1148834560.db2.gz UAHKLEJSEZPXJR-SJORKVTESA-N 1 3 307.482 2.217 20 0 DEADHO CC(C)=CCN(C)C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001328781492 1148834561 /nfs/dbraw/zinc/83/45/61/1148834561.db2.gz UAHKLEJSEZPXJR-SJORKVTESA-N 1 3 307.482 2.217 20 0 DEADHO CC(C)=CCN(C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001328781486 1148834594 /nfs/dbraw/zinc/83/45/94/1148834594.db2.gz UAHKLEJSEZPXJR-DLBZAZTESA-N 1 3 307.482 2.217 20 0 DEADHO CC(C)=CCN(C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001328781486 1148834595 /nfs/dbraw/zinc/83/45/95/1148834595.db2.gz UAHKLEJSEZPXJR-DLBZAZTESA-N 1 3 307.482 2.217 20 0 DEADHO c1cc(C[NH2+]CCCCC[NH+]2CCCC2)cc(-c2nnn[n-]2)c1 ZINC001607118969 1071312592 /nfs/dbraw/zinc/31/25/92/1071312592.db2.gz YCQDMMPUSWJVCE-UHFFFAOYSA-N 1 3 314.437 2.222 20 0 DEADHO c1cc(C[NH2+]CCCCC[NH+]2CCCC2)cc(-c2nn[n-]n2)c1 ZINC001607118969 1071312610 /nfs/dbraw/zinc/31/26/10/1071312610.db2.gz YCQDMMPUSWJVCE-UHFFFAOYSA-N 1 3 314.437 2.222 20 0 DEADHO CC(C)OCC[NH+]1CCC(NCc2cnccc2N(C)C)CC1 ZINC001461277865 1058628134 /nfs/dbraw/zinc/62/81/34/1058628134.db2.gz ZXRRQEUXDWZPFH-UHFFFAOYSA-N 1 3 320.481 2.127 20 0 DEADHO CC(C)OCCN1CCC([NH2+]Cc2cnccc2N(C)C)CC1 ZINC001461277865 1058628138 /nfs/dbraw/zinc/62/81/38/1058628138.db2.gz ZXRRQEUXDWZPFH-UHFFFAOYSA-N 1 3 320.481 2.127 20 0 DEADHO CC[C@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)[C@H](O)C(C)C ZINC001462348477 1058807569 /nfs/dbraw/zinc/80/75/69/1058807569.db2.gz OXGQMHOERNSKIZ-JDEYZFBPSA-N 1 3 312.498 2.405 20 0 DEADHO CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCCCN1CC ZINC001501199722 1059368477 /nfs/dbraw/zinc/36/84/77/1059368477.db2.gz ALZAVQHDKUPMSC-GOSISDBHSA-N 1 3 317.477 2.499 20 0 DEADHO CC(C)CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001501604865 1059570230 /nfs/dbraw/zinc/57/02/30/1059570230.db2.gz ZPUPNZFFXMHRDE-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC2CCCCC2)[C@@H](C)C1 ZINC001502762814 1060281301 /nfs/dbraw/zinc/28/13/01/1060281301.db2.gz WRWKURAJINFJCF-RDJZCZTQSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CCC[NH2+]CC1CC(NC(=O)C2(N(C)C)CCC2)C1 ZINC001505501734 1060661776 /nfs/dbraw/zinc/66/17/76/1060661776.db2.gz HKLDHEXUOWOMFT-UHFFFAOYSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[N@H+](C)CC1=CCCCC1 ZINC001506002214 1061246215 /nfs/dbraw/zinc/24/62/15/1061246215.db2.gz QNPRAZOGXMXCHU-HOTGVXAUSA-N 1 3 307.482 2.265 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[N@@H+](C)CC1=CCCCC1 ZINC001506002214 1061246234 /nfs/dbraw/zinc/24/62/34/1061246234.db2.gz QNPRAZOGXMXCHU-HOTGVXAUSA-N 1 3 307.482 2.265 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccsc3)C2)C1 ZINC001479320488 1061392810 /nfs/dbraw/zinc/39/28/10/1061392810.db2.gz FHHKDHSVKQXHCW-BMFZPTHFSA-N 1 3 321.490 2.074 20 0 DEADHO CC(C)=CC[NH2+][C@H]1C[C@@H](CNC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001479347972 1061404239 /nfs/dbraw/zinc/40/42/39/1061404239.db2.gz MPAWKBGKTXQNTH-LUKYLMHMSA-N 1 3 307.482 2.310 20 0 DEADHO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC001479374943 1061422764 /nfs/dbraw/zinc/42/27/64/1061422764.db2.gz FKBXSPBZXSXPCQ-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001506580503 1062154302 /nfs/dbraw/zinc/15/43/02/1062154302.db2.gz GZKDHIPRGGLBFN-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001506580503 1062154311 /nfs/dbraw/zinc/15/43/11/1062154311.db2.gz GZKDHIPRGGLBFN-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)=CC[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)C(C)C)C[C@@]2(C)C1 ZINC001506870261 1062452564 /nfs/dbraw/zinc/45/25/64/1062452564.db2.gz JJULDMYERIFTSF-KDURUIRLSA-N 1 3 321.509 2.463 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)C(C)C)C[C@@]2(C)C1 ZINC001506870261 1062452573 /nfs/dbraw/zinc/45/25/73/1062452573.db2.gz JJULDMYERIFTSF-KDURUIRLSA-N 1 3 321.509 2.463 20 0 DEADHO CC(C)=CC[N@H+]1CCC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001480255253 1062533713 /nfs/dbraw/zinc/53/37/13/1062533713.db2.gz SGQMEPONEXJPAM-MRXNPFEDSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)=CC[N@@H+]1CCC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001480255253 1062533736 /nfs/dbraw/zinc/53/37/36/1062533736.db2.gz SGQMEPONEXJPAM-MRXNPFEDSA-N 1 3 307.482 2.265 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001480263795 1062558541 /nfs/dbraw/zinc/55/85/41/1062558541.db2.gz WVPMYSYMAGWACB-MRXNPFEDSA-N 1 3 321.440 2.106 20 0 DEADHO CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001480296512 1062601623 /nfs/dbraw/zinc/60/16/23/1062601623.db2.gz BRMOZXAXZVHEAJ-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1cccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCCN2C(C)C)c1 ZINC001480458297 1062893930 /nfs/dbraw/zinc/89/39/30/1062893930.db2.gz CHGFHWPPQHWTPI-SJLPKXTDSA-N 1 3 317.477 2.462 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCCC1CCCC1 ZINC001480536152 1062999786 /nfs/dbraw/zinc/99/97/86/1062999786.db2.gz COEPYBGSWROMFQ-JKSUJKDBSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC001507324497 1063097350 /nfs/dbraw/zinc/09/73/50/1063097350.db2.gz KBSGINJPDRFFNL-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC001507325423 1063097453 /nfs/dbraw/zinc/09/74/53/1063097453.db2.gz QIEOYFORMBXYEU-DLBZAZTESA-N 1 3 307.482 2.264 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCCF)C(C)(C)C ZINC001507949829 1063476372 /nfs/dbraw/zinc/47/63/72/1063476372.db2.gz CMAISEGXDBYFLA-GJZGRUSLSA-N 1 3 315.477 2.341 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCCF)C(C)(C)C ZINC001507949828 1063476627 /nfs/dbraw/zinc/47/66/27/1063476627.db2.gz CMAISEGXDBYFLA-CABCVRRESA-N 1 3 315.477 2.341 20 0 DEADHO C[C@@H](F)CC[NH2+]C1CC(N(C)C(=O)CN2CCC(C)CC2)C1 ZINC001508140952 1063577044 /nfs/dbraw/zinc/57/70/44/1063577044.db2.gz AWKAPFMGSWYOMH-QQFBHYJXSA-N 1 3 313.461 2.045 20 0 DEADHO Cc1cc(CN2CCC[C@@H]2CNC(=O)CCC[NH+](C)C)cs1 ZINC001493128654 1063592350 /nfs/dbraw/zinc/59/23/50/1063592350.db2.gz NWNMUBDGXZFCTA-MRXNPFEDSA-N 1 3 323.506 2.479 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@H+](Cc1ccccc1)C1CC1 ZINC001493450280 1063805508 /nfs/dbraw/zinc/80/55/08/1063805508.db2.gz RKMAMFRNEHOYHI-UHFFFAOYSA-N 1 3 303.450 2.107 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@@H+](Cc1ccccc1)C1CC1 ZINC001493450280 1063805519 /nfs/dbraw/zinc/80/55/19/1063805519.db2.gz RKMAMFRNEHOYHI-UHFFFAOYSA-N 1 3 303.450 2.107 20 0 DEADHO CCC/C=C/CC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001567737432 1064390610 /nfs/dbraw/zinc/39/06/10/1064390610.db2.gz AYUJZJBVAKGSHH-JFDDCEBESA-N 1 3 318.465 2.479 20 0 DEADHO CCC/C=C/CC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001567737432 1064390624 /nfs/dbraw/zinc/39/06/24/1064390624.db2.gz AYUJZJBVAKGSHH-JFDDCEBESA-N 1 3 318.465 2.479 20 0 DEADHO C[C@@H](CNCCF)N(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001568295551 1064761625 /nfs/dbraw/zinc/76/16/25/1064761625.db2.gz XTNSGEQOBVKLQA-GOEBONIOSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H](CNCCF)N(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001568295551 1064761638 /nfs/dbraw/zinc/76/16/38/1064761638.db2.gz XTNSGEQOBVKLQA-GOEBONIOSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@](C)(C[NH2+]CCCF)C1CC1 ZINC001495250737 1064786171 /nfs/dbraw/zinc/78/61/71/1064786171.db2.gz USYUFNHGHIQEOJ-NVXWUHKLSA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H](CC[NH2+]C/C=C\Cl)C1 ZINC001495392615 1064875694 /nfs/dbraw/zinc/87/56/94/1064875694.db2.gz GJMMTUWDFAREOI-KKTNHOPESA-N 1 3 315.889 2.297 20 0 DEADHO Cc1cccc([C@H](C)[NH2+]C/C=C\CNC(=O)CN2CCCC2)c1 ZINC001568963558 1065216071 /nfs/dbraw/zinc/21/60/71/1065216071.db2.gz CZQOJKIZCYYPDA-LIMHQNJXSA-N 1 3 315.461 2.414 20 0 DEADHO C[C@@H](F)CC[NH2+]C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001569038688 1065252356 /nfs/dbraw/zinc/25/23/56/1065252356.db2.gz PKGUGWDMLDDXPR-ZIAGYGMSSA-N 1 3 309.429 2.204 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CCF)N1CCCC1 ZINC001569165269 1065333056 /nfs/dbraw/zinc/33/30/56/1065333056.db2.gz SAIRQXPVFMEXKO-LSDHHAIUSA-N 1 3 313.461 2.095 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC=C(C)C)C1CC1 ZINC001569305841 1065418813 /nfs/dbraw/zinc/41/88/13/1065418813.db2.gz BECNOMYNMCDEHP-IRXDYDNUSA-N 1 3 307.482 2.311 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C/C=C/Cl)C1 ZINC001496867805 1065764416 /nfs/dbraw/zinc/76/44/16/1065764416.db2.gz MBKUGWCXDUMLCG-HYBGQWMJSA-N 1 3 313.873 2.002 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C/C=C/Cl)C1 ZINC001496867805 1065764425 /nfs/dbraw/zinc/76/44/25/1065764425.db2.gz MBKUGWCXDUMLCG-HYBGQWMJSA-N 1 3 313.873 2.002 20 0 DEADHO CC/C=C\CC[NH2+]C1(C)CCN(C(=O)CN2CCCC2)CC1 ZINC001570385281 1066042134 /nfs/dbraw/zinc/04/21/34/1066042134.db2.gz BATPWKMIBZSKHY-PLNGDYQASA-N 1 3 307.482 2.409 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001497992255 1066449631 /nfs/dbraw/zinc/44/96/31/1066449631.db2.gz DASKLLJGGDSKFE-NEPJUHHUSA-N 1 3 324.296 2.005 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(F)c1 ZINC001497993703 1066449889 /nfs/dbraw/zinc/44/98/89/1066449889.db2.gz UKFBQCRCOSCBEY-PBHICJAKSA-N 1 3 321.440 2.294 20 0 DEADHO C[C@@H](C[C@H]1CCC[NH2+]1)NCC[C@@H](O)COCc1ccccc1 ZINC001575941165 1066462405 /nfs/dbraw/zinc/46/24/05/1066462405.db2.gz LBJVXZWSUNVUMD-CGTJXYLNSA-N 1 3 306.450 2.074 20 0 DEADHO C[C@H](NCCC(=O)NCc1ccccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC001576243808 1066533841 /nfs/dbraw/zinc/53/38/41/1066533841.db2.gz GDKCOWIUQKSRIO-UONOGXRCSA-N 1 3 323.868 2.324 20 0 DEADHO C[C@H](C[N@@H+](C)CCCF)NC(=O)C(C)(C)N1CCCCC1 ZINC001498284710 1066614811 /nfs/dbraw/zinc/61/48/11/1066614811.db2.gz XWDNYJWBZLBYAG-CQSZACIVSA-N 1 3 301.450 2.047 20 0 DEADHO CC1(C)CCC[C@](CO)(NCc2nc3c(s2)C[NH2+]CC3)C1 ZINC001576426917 1066602612 /nfs/dbraw/zinc/60/26/12/1066602612.db2.gz PBDIZFOCCLPCAO-INIZCTEOSA-N 1 3 309.479 2.210 20 0 DEADHO C[C@H](C[N@H+](C)CCCF)NC(=O)C(C)(C)N1CCCCC1 ZINC001498284710 1066614806 /nfs/dbraw/zinc/61/48/06/1066614806.db2.gz XWDNYJWBZLBYAG-CQSZACIVSA-N 1 3 301.450 2.047 20 0 DEADHO C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](N)C2)CCN1C(=O)OC(C)(C)C ZINC001576600245 1066643637 /nfs/dbraw/zinc/64/36/37/1066643637.db2.gz ZUOQWRIENZUNPW-RBSFLKMASA-N 1 3 311.470 2.445 20 0 DEADHO C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](N)C2)CCN1C(=O)OC(C)(C)C ZINC001576600245 1066643645 /nfs/dbraw/zinc/64/36/45/1066643645.db2.gz ZUOQWRIENZUNPW-RBSFLKMASA-N 1 3 311.470 2.445 20 0 DEADHO CC[C@@](C)(C[NH3+])C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC001576947833 1066729382 /nfs/dbraw/zinc/72/93/82/1066729382.db2.gz BWUDAKXKULOAPQ-IBGZPJMESA-N 1 3 317.477 2.315 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CCCF)CCC1 ZINC001498487495 1066740106 /nfs/dbraw/zinc/74/01/06/1066740106.db2.gz RAMNWTHWUHXZOI-GJZGRUSLSA-N 1 3 313.461 2.095 20 0 DEADHO CC[C@H](C(=O)N(C)CCC[NH2+]C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001498587664 1066790418 /nfs/dbraw/zinc/79/04/18/1066790418.db2.gz RGAMEQQZARLKFU-ZIAGYGMSSA-N 1 3 319.440 2.200 20 0 DEADHO Cc1cc(C[NH2+]CCCN(C)C(=O)[C@H]2CCCN2C)c(C)s1 ZINC001498594046 1066792746 /nfs/dbraw/zinc/79/27/46/1066792746.db2.gz LCUKDWPRGYLEQA-MRXNPFEDSA-N 1 3 323.506 2.397 20 0 DEADHO CCN(Cc1ccc(C(=O)N(C)C)cc1)C[C@H](C[NH3+])C(C)C ZINC001577734332 1066917347 /nfs/dbraw/zinc/91/73/47/1066917347.db2.gz KTCQWXMSVNQMCY-KRWDZBQOSA-N 1 3 305.466 2.441 20 0 DEADHO C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001578674526 1067148300 /nfs/dbraw/zinc/14/83/00/1067148300.db2.gz BMZLMXHFRDKAMQ-RHSMWYFYSA-N 1 3 313.461 2.190 20 0 DEADHO O=C(CCC[NH+]1CCCCC1)NCC1(NC/C=C/Cl)CC1 ZINC001499452043 1067225177 /nfs/dbraw/zinc/22/51/77/1067225177.db2.gz UZBONSKVZZUANR-WEVVVXLNSA-N 1 3 313.873 2.243 20 0 DEADHO COc1cc(OC)c(C[C@H](C)NC[C@]2(C)CC[NH2+]C2)c(OC)c1 ZINC001579170627 1067249432 /nfs/dbraw/zinc/24/94/32/1067249432.db2.gz ZLKMRCDBZWVWQR-SCLBCKFNSA-N 1 3 322.449 2.233 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001579454675 1067345612 /nfs/dbraw/zinc/34/56/12/1067345612.db2.gz VAADTUCWPHWQAQ-ILXRZTDVSA-N 1 3 311.470 2.031 20 0 DEADHO C[C@@H]1C[C@H](C(=O)N(CCN(C)C)Cc2cccs2)CC[NH2+]1 ZINC001579467267 1067348390 /nfs/dbraw/zinc/34/83/90/1067348390.db2.gz ROUVWWUKXHTVTH-ZIAGYGMSSA-N 1 3 309.479 2.026 20 0 DEADHO Cc1c(C[C@H](CN)C[N@@H+](C)[C@H](C)Cc2cccs2)cnn1C ZINC001579530609 1067362281 /nfs/dbraw/zinc/36/22/81/1067362281.db2.gz WCRXHPLWMPUSKE-UKRRQHHQSA-N 1 3 320.506 2.470 20 0 DEADHO Cc1c(C[C@H](CN)C[N@H+](C)[C@H](C)Cc2cccs2)cnn1C ZINC001579530609 1067362293 /nfs/dbraw/zinc/36/22/93/1067362293.db2.gz WCRXHPLWMPUSKE-UKRRQHHQSA-N 1 3 320.506 2.470 20 0 DEADHO Cc1c(C[C@H](C[NH3+])CN(C)[C@H](C)Cc2cccs2)cnn1C ZINC001579530609 1067362304 /nfs/dbraw/zinc/36/23/04/1067362304.db2.gz WCRXHPLWMPUSKE-UKRRQHHQSA-N 1 3 320.506 2.470 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)CC(C)(C)C[NH3+])C2)cc1 ZINC001579691042 1067405799 /nfs/dbraw/zinc/40/57/99/1067405799.db2.gz IWFOTWAKJGVWCK-INIZCTEOSA-N 1 3 303.450 2.061 20 0 DEADHO Cn1nc2c(c1CN1CCC3(CCC[C@@H]3C[NH3+])CC1)CCC2 ZINC001579998326 1067469911 /nfs/dbraw/zinc/46/99/11/1067469911.db2.gz KZBZFOLWPWMGNV-CQSZACIVSA-N 1 3 302.466 2.250 20 0 DEADHO N[C@@H](C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)C1CCCCCC1 ZINC001580108806 1067495849 /nfs/dbraw/zinc/49/58/49/1067495849.db2.gz IOCHMCBRSMISHO-IAGOWNOFSA-N 1 3 307.482 2.371 20 0 DEADHO NC[C@@]12C[N@H+](CCC(=O)Nc3ccccc3)C[C@H]1CCCC2 ZINC001580255598 1067543065 /nfs/dbraw/zinc/54/30/65/1067543065.db2.gz KQIIBRWGXZIBFU-QAPCUYQASA-N 1 3 301.434 2.466 20 0 DEADHO NC[C@@]12C[N@@H+](CCC(=O)Nc3ccccc3)C[C@H]1CCCC2 ZINC001580255598 1067543070 /nfs/dbraw/zinc/54/30/70/1067543070.db2.gz KQIIBRWGXZIBFU-QAPCUYQASA-N 1 3 301.434 2.466 20 0 DEADHO NC[C@H]1CCCC[C@H]1[NH2+]CCC(=O)N1CCCc2ccccc21 ZINC001580261979 1067546039 /nfs/dbraw/zinc/54/60/39/1067546039.db2.gz ONGIQIKIOTZGGC-IAGOWNOFSA-N 1 3 315.461 2.463 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@H]1NCCC(=O)N1CCCc2ccccc21 ZINC001580261979 1067546048 /nfs/dbraw/zinc/54/60/48/1067546048.db2.gz ONGIQIKIOTZGGC-IAGOWNOFSA-N 1 3 315.461 2.463 20 0 DEADHO CN(CC[NH2+]CCC1CCCCCC1)C(=O)CN1CCCC1 ZINC001267081139 1078554507 /nfs/dbraw/zinc/55/45/07/1078554507.db2.gz DPWVJRYNKGWFKK-UHFFFAOYSA-N 1 3 309.498 2.491 20 0 DEADHO CN(C)C1(C(=O)N[C@H](C[NH2+]CCC(C)(C)C)C2CC2)CCC1 ZINC001483565060 1078600706 /nfs/dbraw/zinc/60/07/06/1078600706.db2.gz ATALEVKFTBFNBB-OAHLLOKOSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)(C(=O)N[C@H](C[NH2+]CC1CCC1)C1CC1)N1CCCC1 ZINC001483580985 1078610109 /nfs/dbraw/zinc/61/01/09/1078610109.db2.gz WNTVWYNQHIEUKG-MRXNPFEDSA-N 1 3 307.482 2.145 20 0 DEADHO CCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN3CCC)[C@@H]2C1 ZINC001570932273 1068162385 /nfs/dbraw/zinc/16/23/85/1068162385.db2.gz RPOBCVHSQSXCLW-ZJPYXAASSA-N 1 3 321.509 2.345 20 0 DEADHO CCCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN3CCC)[C@@H]2C1 ZINC001570932273 1068162391 /nfs/dbraw/zinc/16/23/91/1068162391.db2.gz RPOBCVHSQSXCLW-ZJPYXAASSA-N 1 3 321.509 2.345 20 0 DEADHO CC1CC(C[N@H+]2CC=C(CNC(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001571695329 1068486141 /nfs/dbraw/zinc/48/61/41/1068486141.db2.gz KQNVJKLDLRYKGN-HJOIGYKYSA-N 1 3 319.493 2.123 20 0 DEADHO CC1CC(C[N@@H+]2CC=C(CNC(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001571695329 1068486145 /nfs/dbraw/zinc/48/61/45/1068486145.db2.gz KQNVJKLDLRYKGN-HJOIGYKYSA-N 1 3 319.493 2.123 20 0 DEADHO CC(C)Cc1ccc([C@@H](CNC(=O)[C@H]2CC[NH2+]C2)N(C)C)cc1 ZINC001573518486 1069027076 /nfs/dbraw/zinc/02/70/76/1069027076.db2.gz MEKLEGPWSYGKTB-ZWKOTPCHSA-N 1 3 317.477 2.214 20 0 DEADHO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@H](N)C(C)(C)C)C1 ZINC001573876855 1069125172 /nfs/dbraw/zinc/12/51/72/1069125172.db2.gz VPOHUQNMYIKRJQ-HOTGVXAUSA-N 1 3 303.450 2.093 20 0 DEADHO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@H](N)C(C)(C)C)C1 ZINC001573876855 1069125176 /nfs/dbraw/zinc/12/51/76/1069125176.db2.gz VPOHUQNMYIKRJQ-HOTGVXAUSA-N 1 3 303.450 2.093 20 0 DEADHO Cc1ccc(NC(=O)N2CCN(CC3CC[NH2+]CC3)CC2)cc1 ZINC001574154825 1069167088 /nfs/dbraw/zinc/16/70/88/1069167088.db2.gz LQHIHMKQXZFCGC-UHFFFAOYSA-N 1 3 316.449 2.144 20 0 DEADHO CCCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001267485198 1078909589 /nfs/dbraw/zinc/90/95/89/1078909589.db2.gz SNKSMRVYWCWOFS-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCCC[C@H]1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC001645677275 1078958984 /nfs/dbraw/zinc/95/89/84/1078958984.db2.gz HHLSIVLJIYAYDS-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1(NC/C=C/Cl)CC1 ZINC001483745831 1078983378 /nfs/dbraw/zinc/98/33/78/1078983378.db2.gz IYILQYHASAELOM-PXYYCUNGSA-N 1 3 313.873 2.098 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1(NC/C=C/Cl)CC1 ZINC001483745831 1078983384 /nfs/dbraw/zinc/98/33/84/1078983384.db2.gz IYILQYHASAELOM-PXYYCUNGSA-N 1 3 313.873 2.098 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCC3CC3)C2)C1 ZINC001368639820 1148543082 /nfs/dbraw/zinc/54/30/82/1148543082.db2.gz DKANXGJAOUGRAM-HYVNUMGLSA-N 1 3 307.482 2.003 20 0 DEADHO Cc1ccc(F)cc1CNC1(CNC(=O)CCC[NH+](C)C)CC1 ZINC001483762520 1079083659 /nfs/dbraw/zinc/08/36/59/1079083659.db2.gz KQRNQKIEEKDDBA-UHFFFAOYSA-N 1 3 321.440 2.214 20 0 DEADHO CCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001649434775 1079116839 /nfs/dbraw/zinc/11/68/39/1079116839.db2.gz JEHAHHQDTYAIBA-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001483800124 1079126986 /nfs/dbraw/zinc/12/69/86/1079126986.db2.gz WHBZPIXPEVEIQC-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO CCC[N@H+]1CC[C@@H](C2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001483800124 1079126992 /nfs/dbraw/zinc/12/69/92/1079126992.db2.gz WHBZPIXPEVEIQC-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO CC1CC(C[N@@H+]2CCC[C@@H]2CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001481052718 1079131743 /nfs/dbraw/zinc/13/17/43/1079131743.db2.gz OTRFMARFJBJCJN-OFLPRAFFSA-N 1 3 321.509 2.488 20 0 DEADHO CC1CC(C[N@H+]2CCC[C@@H]2CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001481052718 1079131747 /nfs/dbraw/zinc/13/17/47/1079131747.db2.gz OTRFMARFJBJCJN-OFLPRAFFSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NCc1ccnn1C(C)C)C2 ZINC001550421659 1073647158 /nfs/dbraw/zinc/64/71/58/1073647158.db2.gz APQHSLYHDLBNKK-XSLAGTTESA-N 1 3 320.481 2.033 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NCc1ccnn1C(C)C)C2 ZINC001550421659 1073647161 /nfs/dbraw/zinc/64/71/61/1073647161.db2.gz APQHSLYHDLBNKK-XSLAGTTESA-N 1 3 320.481 2.033 20 0 DEADHO CC(C)=CC[NH2+]CC(C)(C)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001329336271 1148885359 /nfs/dbraw/zinc/88/53/59/1148885359.db2.gz YJCMGLQHKHVYGN-INIZCTEOSA-N 1 3 309.498 2.369 20 0 DEADHO Cc1c(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@@H]2O)ccnc1F ZINC001550666113 1073784561 /nfs/dbraw/zinc/78/45/61/1073784561.db2.gz PTSHRENLIOYTFA-HPFXQQBRSA-N 1 3 321.440 2.098 20 0 DEADHO Cc1c(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@@H]2O)ccnc1F ZINC001550666113 1073784570 /nfs/dbraw/zinc/78/45/70/1073784570.db2.gz PTSHRENLIOYTFA-HPFXQQBRSA-N 1 3 321.440 2.098 20 0 DEADHO C[C@H](N[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1)C1([NH3+])CC1 ZINC001550696447 1073807997 /nfs/dbraw/zinc/80/79/97/1073807997.db2.gz TZYLXRIDQAEEMI-IMJJTQAJSA-N 1 3 301.434 2.197 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001551328233 1074173170 /nfs/dbraw/zinc/17/31/70/1074173170.db2.gz MBRSYYDNXBKVDW-MWDXBVQZSA-N 1 3 307.482 2.050 20 0 DEADHO COc1cc([C@H](C)NC2CCC(C)([NH+]3CCOCC3)CC2)on1 ZINC001551398660 1074204721 /nfs/dbraw/zinc/20/47/21/1074204721.db2.gz HYSVKZSYBMBRDZ-CBCUQQMYSA-N 1 3 323.437 2.367 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+]CC2(O)CCCCC2)CC1 ZINC001551398940 1074205219 /nfs/dbraw/zinc/20/52/19/1074205219.db2.gz BDKBRASIDBBKIJ-UHFFFAOYSA-N 1 3 310.482 2.305 20 0 DEADHO CCC[N@H+](CCNC(=O)[C@@H]1CCCN1C(C)C)CC1CCC1 ZINC001481136615 1079244422 /nfs/dbraw/zinc/24/44/22/1079244422.db2.gz KGDHFXIGEZYETF-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@@H+](CCNC(=O)[C@@H]1CCCN1C(C)C)CC1CCC1 ZINC001481136615 1079244430 /nfs/dbraw/zinc/24/44/30/1079244430.db2.gz KGDHFXIGEZYETF-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCCC[C@@H]1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC001649830444 1079244701 /nfs/dbraw/zinc/24/47/01/1079244701.db2.gz QEIIMBSYBIPCCT-QGZVFWFLSA-N 1 3 307.482 2.384 20 0 DEADHO [NH3+]CC[C@H]1CCCCN1C[C@H](O)COc1ccc(Cl)cc1 ZINC001646279610 1074397697 /nfs/dbraw/zinc/39/76/97/1074397697.db2.gz CIHUSKLVMXKBSD-CABCVRRESA-N 1 3 312.841 2.283 20 0 DEADHO C[NH+](C)CCC(=O)N[C@@]1(C)CCN(CCCCC(F)(F)F)C1 ZINC001484058148 1079273267 /nfs/dbraw/zinc/27/32/67/1079273267.db2.gz PVIVLDFAEQFGGO-AWEZNQCLSA-N 1 3 323.403 2.251 20 0 DEADHO CCN1CCN(Cc2ccccc2CNc2cc[nH+]cc2)CC1 ZINC001646629073 1074510087 /nfs/dbraw/zinc/51/00/87/1074510087.db2.gz DALRMBTZWZOFPO-UHFFFAOYSA-N 1 3 310.445 2.253 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)[C@H]1CCCC[NH2+]C1 ZINC001552434119 1074576530 /nfs/dbraw/zinc/57/65/30/1074576530.db2.gz BBFJZAWMKNIFBA-AWEZNQCLSA-N 1 3 305.422 2.085 20 0 DEADHO CC[C@H](C)C[C@H](N)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC001646737671 1074587605 /nfs/dbraw/zinc/58/76/05/1074587605.db2.gz RPZCQKZFBXDLSE-YOEHRIQHSA-N 1 3 321.465 2.007 20 0 DEADHO CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001553025708 1074740275 /nfs/dbraw/zinc/74/02/75/1074740275.db2.gz MUVIOPAXQHBANJ-MLGHIDQZSA-N 1 3 306.372 2.463 20 0 DEADHO COC1(C[NH2+]Cc2ccccc2CN2CCC(O)CC2)CCC1 ZINC001649957891 1079322039 /nfs/dbraw/zinc/32/20/39/1079322039.db2.gz AZRNCSWBFYPSDY-UHFFFAOYSA-N 1 3 318.461 2.302 20 0 DEADHO CC(C)=CCN(CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CC1 ZINC001481201332 1079338987 /nfs/dbraw/zinc/33/89/87/1079338987.db2.gz XTPDVKIOJRVWBR-HOTGVXAUSA-N 1 3 307.482 2.406 20 0 DEADHO C[C@@H](F)CC[NH2+]C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001566896055 1075377054 /nfs/dbraw/zinc/37/70/54/1075377054.db2.gz VGNPPMAZSIHISD-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[C@H]1CCC[N@H+]1CC[C@H](C)F ZINC001567265584 1075481930 /nfs/dbraw/zinc/48/19/30/1075481930.db2.gz ANEQVPSRHCESQR-ZFWWWQNUSA-N 1 3 324.444 2.370 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[C@H]1CCC[N@@H+]1CC[C@H](C)F ZINC001567265584 1075481935 /nfs/dbraw/zinc/48/19/35/1075481935.db2.gz ANEQVPSRHCESQR-ZFWWWQNUSA-N 1 3 324.444 2.370 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC001650177506 1079437304 /nfs/dbraw/zinc/43/73/04/1079437304.db2.gz GLAFARMHMVUKBE-IAGOWNOFSA-N 1 3 324.513 2.140 20 0 DEADHO C[C@@H]([NH2+]CCN(C)C(=O)CN(C)C1CCC1)c1ccccc1 ZINC001481240269 1079451944 /nfs/dbraw/zinc/45/19/44/1079451944.db2.gz BPANRQLCLJECHU-OAHLLOKOSA-N 1 3 303.450 2.280 20 0 DEADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001369298311 1148894797 /nfs/dbraw/zinc/89/47/97/1148894797.db2.gz UBPMZDYEQNLQJM-ZIAGYGMSSA-N 1 3 319.440 2.200 20 0 DEADHO O[C@H](CN1CCC([C@@H]2[NH2+]CC23CCC3)CC1)CC(F)(F)F ZINC001580877901 1076011099 /nfs/dbraw/zinc/01/10/99/1076011099.db2.gz GMORDKODDSDGKK-STQMWFEESA-N 1 3 306.372 2.154 20 0 DEADHO C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCCc2cc(-c3nnn[n-]3)ccc21 ZINC001589808782 1076519084 /nfs/dbraw/zinc/51/90/84/1076519084.db2.gz FKYZFMYVKGFWSC-BLLLJJGKSA-N 1 3 314.437 2.351 20 0 DEADHO C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCCc2cc(-c3nn[n-]n3)ccc21 ZINC001589808782 1076519088 /nfs/dbraw/zinc/51/90/88/1076519088.db2.gz FKYZFMYVKGFWSC-BLLLJJGKSA-N 1 3 314.437 2.351 20 0 DEADHO [NH3+]CC[C@@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC001650402689 1079591357 /nfs/dbraw/zinc/59/13/57/1079591357.db2.gz SFZPLUMBGAEQDG-OAHLLOKOSA-N 1 3 301.434 2.093 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC001650551204 1079711904 /nfs/dbraw/zinc/71/19/04/1079711904.db2.gz NATRPLNFEDBZFG-MRXNPFEDSA-N 1 3 322.497 2.131 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC2=CCCCC2)C[C@H]1C ZINC001284025395 1079712115 /nfs/dbraw/zinc/71/21/15/1079712115.db2.gz JQVDFPSEVZHVIG-WBVHZDCISA-N 1 3 307.482 2.408 20 0 DEADHO CC[C@H](F)CN1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001484723122 1079748048 /nfs/dbraw/zinc/74/80/48/1079748048.db2.gz LWFGVRRDIUBFEP-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO CN(C)C1(C(=O)NC[C@@H]([NH2+]CC2CC2)c2ccccc2)CCC1 ZINC001481367398 1079760217 /nfs/dbraw/zinc/76/02/17/1079760217.db2.gz RJLAHWVHVNVOSF-QGZVFWFLSA-N 1 3 315.461 2.328 20 0 DEADHO CC(C)=CCN[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001481372013 1079764015 /nfs/dbraw/zinc/76/40/15/1079764015.db2.gz IVCZESKMEVTZOB-ZWKOTPCHSA-N 1 3 315.461 2.351 20 0 DEADHO CC(C)=CCN[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001481372013 1079764022 /nfs/dbraw/zinc/76/40/22/1079764022.db2.gz IVCZESKMEVTZOB-ZWKOTPCHSA-N 1 3 315.461 2.351 20 0 DEADHO Cc1cccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001485156489 1080018960 /nfs/dbraw/zinc/01/89/60/1080018960.db2.gz HINGVHUPNCHUTH-JKSUJKDBSA-N 1 3 317.477 2.462 20 0 DEADHO C[C@@H](C[NH2+]CCC1=CCCCC1)N(C)C(=O)Cc1c[nH]cn1 ZINC001268085051 1080040793 /nfs/dbraw/zinc/04/07/93/1080040793.db2.gz KXHNSXUYDBGJHP-AWEZNQCLSA-N 1 3 304.438 2.279 20 0 DEADHO C[C@@H](C[NH2+]CCC1CCCC1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001268085442 1080041083 /nfs/dbraw/zinc/04/10/83/1080041083.db2.gz IQLPCWYKFJXWHD-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](NCc1ccccc1F)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001485185451 1080045203 /nfs/dbraw/zinc/04/52/03/1080045203.db2.gz FKJZGGFFRHKKBZ-KGLIPLIRSA-N 1 3 309.429 2.150 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]C/C=C/Cl ZINC001268098526 1080070646 /nfs/dbraw/zinc/07/06/46/1080070646.db2.gz SYKXVXFNUXFLPS-BIYBCCJYSA-N 1 3 301.862 2.050 20 0 DEADHO CN1CCN(c2ccc(CC[NH2+]Cc3nccs3)cc2)CC1 ZINC001658185939 1080200982 /nfs/dbraw/zinc/20/09/82/1080200982.db2.gz JNKCPDXGGRMXLY-UHFFFAOYSA-N 1 3 316.474 2.227 20 0 DEADHO C[C@H](c1ccccc1)N1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001481655397 1080254570 /nfs/dbraw/zinc/25/45/70/1080254570.db2.gz ZAWVKSAODONHNR-CVEARBPZSA-N 1 3 315.461 2.137 20 0 DEADHO C[C@H](c1ccccc1)N1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001481655397 1080254582 /nfs/dbraw/zinc/25/45/82/1080254582.db2.gz ZAWVKSAODONHNR-CVEARBPZSA-N 1 3 315.461 2.137 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001485658367 1080350217 /nfs/dbraw/zinc/35/02/17/1080350217.db2.gz UWHIXLFRWIKLJJ-GVDBMIGSSA-N 1 3 309.498 2.343 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001485658367 1080350220 /nfs/dbraw/zinc/35/02/20/1080350220.db2.gz UWHIXLFRWIKLJJ-GVDBMIGSSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]C/C=C/Cl ZINC001481811591 1080525311 /nfs/dbraw/zinc/52/53/11/1080525311.db2.gz BDSMMRUNDAYHTK-VFNNOXKTSA-N 1 3 315.889 2.488 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]1C[NH2+]CCC(F)(F)F)C1CCC1 ZINC001482059052 1080763437 /nfs/dbraw/zinc/76/34/37/1080763437.db2.gz YPUDVKLQBQRGBB-CYBMUJFWSA-N 1 3 321.387 2.004 20 0 DEADHO Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)CN(C)C2CCC2)cs1 ZINC001482107208 1080810433 /nfs/dbraw/zinc/81/04/33/1080810433.db2.gz GSGKPMGTCQUKTQ-CYBMUJFWSA-N 1 3 323.506 2.383 20 0 DEADHO Cc1cc(C[NH2+]C[C@H](C)CNC(=O)CN(C)C2CCC2)cs1 ZINC001482107209 1080810548 /nfs/dbraw/zinc/81/05/48/1080810548.db2.gz GSGKPMGTCQUKTQ-ZDUSSCGKSA-N 1 3 323.506 2.383 20 0 DEADHO Cc1cccc(C[NH2+]CCN(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001663981996 1080845688 /nfs/dbraw/zinc/84/56/88/1080845688.db2.gz ZHMYTYJFXYUTMB-UHFFFAOYSA-N 1 3 303.450 2.027 20 0 DEADHO CCCCC[NH2+]C[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001268661863 1080921750 /nfs/dbraw/zinc/92/17/50/1080921750.db2.gz MVUNRFOWYYWVNM-RHSMWYFYSA-N 1 3 315.477 2.483 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC1=CCCCC1 ZINC001268674349 1080927570 /nfs/dbraw/zinc/92/75/70/1080927570.db2.gz RDMPSNDYTLUZEV-NVXWUHKLSA-N 1 3 307.482 2.456 20 0 DEADHO CC(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001666152633 1081128784 /nfs/dbraw/zinc/12/87/84/1081128784.db2.gz RUESCHQLDNUNHB-HNNXBMFYSA-N 1 3 306.454 2.217 20 0 DEADHO C[C@@H](CC[NH2+]CC1=CCCCC1)NC(=O)C1(N(C)C)CCC1 ZINC001668088225 1081314172 /nfs/dbraw/zinc/31/41/72/1081314172.db2.gz WGQCGTJNWZLDCX-HNNXBMFYSA-N 1 3 307.482 2.456 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]C/C=C\Cl ZINC001668235143 1081331465 /nfs/dbraw/zinc/33/14/65/1081331465.db2.gz ZAPRBPGYKHNYBP-AJNJCKRNSA-N 1 3 315.889 2.486 20 0 DEADHO CCc1cccc(C[NH2+]CCN(CC)C(=O)[C@H]2CCCN2C)c1 ZINC001668381666 1081348590 /nfs/dbraw/zinc/34/85/90/1081348590.db2.gz FRAFOUVPONGFHH-GOSISDBHSA-N 1 3 317.477 2.281 20 0 DEADHO CC(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001269791474 1081367479 /nfs/dbraw/zinc/36/74/79/1081367479.db2.gz QKJJQEAQPQHNDH-IAGOWNOFSA-N 1 3 311.514 2.447 20 0 DEADHO CCN(CC[NH2+]CC1CC2(CCC2)C1)C(=O)CN1CC[C@@H](C)C1 ZINC001668555042 1081367658 /nfs/dbraw/zinc/36/76/58/1081367658.db2.gz GSNWVFYZEIEPMX-MRXNPFEDSA-N 1 3 321.509 2.347 20 0 DEADHO CC(C)(C(=O)NC/C=C/CNC/C=C\Cl)[NH+]1CCCCC1 ZINC001668828333 1081402174 /nfs/dbraw/zinc/40/21/74/1081402174.db2.gz PDHFMYVQURKGMG-PXJZJIAOSA-N 1 3 313.873 2.265 20 0 DEADHO CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001095813696 1081413422 /nfs/dbraw/zinc/41/34/22/1081413422.db2.gz WXRLJOUNKBWCEI-NJAFHUGGSA-N 1 3 315.461 2.146 20 0 DEADHO CC[C@H](C(=O)NC/C=C\C[NH2+]C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001669145444 1081432040 /nfs/dbraw/zinc/43/20/40/1081432040.db2.gz LVENIBSPLDSGKQ-HLMASZERSA-N 1 3 317.424 2.024 20 0 DEADHO C[NH+]1CCC(CC(=O)N2CCN(CC3CCCC3)CC2)CC1 ZINC000951199016 1081489560 /nfs/dbraw/zinc/48/95/60/1081489560.db2.gz NCPMLZQVTYGIMJ-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO CCC(=O)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167963672 1081527941 /nfs/dbraw/zinc/52/79/41/1081527941.db2.gz AUPQGUUNVPKLJJ-AYHJJNSGSA-N 1 3 319.493 2.382 20 0 DEADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+]CCC2CCCC2)C1 ZINC001674611474 1081894720 /nfs/dbraw/zinc/89/47/20/1081894720.db2.gz HANCIAFAFNSOEK-UHFFFAOYSA-N 1 3 309.498 2.391 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001271930700 1082197855 /nfs/dbraw/zinc/19/78/55/1082197855.db2.gz ABJGUTLRQNQBSN-FUHWJXTLSA-N 1 3 307.482 2.195 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001271930700 1082197857 /nfs/dbraw/zinc/19/78/57/1082197857.db2.gz ABJGUTLRQNQBSN-FUHWJXTLSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)=CCN(C)CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001272049373 1082335992 /nfs/dbraw/zinc/33/59/92/1082335992.db2.gz PQMDHEOFOGNVKG-IAGOWNOFSA-N 1 3 307.482 2.360 20 0 DEADHO CC(C)=CCN(C)CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001272049373 1082335999 /nfs/dbraw/zinc/33/59/99/1082335999.db2.gz PQMDHEOFOGNVKG-IAGOWNOFSA-N 1 3 307.482 2.360 20 0 DEADHO CCc1cccc(CN(C)CCNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001480904458 1082470082 /nfs/dbraw/zinc/47/00/82/1082470082.db2.gz FIOMYIUPJXAYPM-UHFFFAOYSA-N 1 3 317.477 2.139 20 0 DEADHO C[C@H](C(=O)NC/C=C/CNC/C=C\Cl)[NH+]1CCCCCC1 ZINC001483069149 1082689477 /nfs/dbraw/zinc/68/94/77/1082689477.db2.gz KDRPPHXYVCSQCW-IYONEYQKSA-N 1 3 313.873 2.265 20 0 DEADHO Cc1cc(C[NH2+]C/C=C/CNC(=O)CN2CCCC2)c(C)s1 ZINC001483092529 1082703127 /nfs/dbraw/zinc/70/31/27/1082703127.db2.gz GPASGLQPNCIBNK-ONEGZZNKSA-N 1 3 321.490 2.223 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001409469743 1082906910 /nfs/dbraw/zinc/90/69/10/1082906910.db2.gz MEWKTIPGQBLWGR-HUUCEWRRSA-N 1 3 309.498 2.390 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CN(C)C(C)C)cc1 ZINC001409477532 1082911162 /nfs/dbraw/zinc/91/11/62/1082911162.db2.gz SYHQLQZDANDWFS-HOTGVXAUSA-N 1 3 305.466 2.318 20 0 DEADHO CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438664 1083394820 /nfs/dbraw/zinc/39/48/20/1083394820.db2.gz GNWVMBLAWWQRRM-JFIYKMOQSA-N 1 3 307.482 2.097 20 0 DEADHO CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438664 1083394829 /nfs/dbraw/zinc/39/48/29/1083394829.db2.gz GNWVMBLAWWQRRM-JFIYKMOQSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438530 1083394934 /nfs/dbraw/zinc/39/49/34/1083394934.db2.gz DBWJYWMAVLYMOV-ZIFCJYIRSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438530 1083394946 /nfs/dbraw/zinc/39/49/46/1083394946.db2.gz DBWJYWMAVLYMOV-ZIFCJYIRSA-N 1 3 321.509 2.343 20 0 DEADHO c1c[nH]c(CN2CC[C@H]3C[N@H+](C[C@@H]4CCCO4)C[C@H]3CC2)c1 ZINC001276428110 1083426606 /nfs/dbraw/zinc/42/66/06/1083426606.db2.gz CKOAUSPWJBOXBQ-JZXOWHBKSA-N 1 3 303.450 2.338 20 0 DEADHO c1c[nH]c(CN2CC[C@H]3C[N@@H+](C[C@@H]4CCCO4)C[C@H]3CC2)c1 ZINC001276428110 1083426611 /nfs/dbraw/zinc/42/66/11/1083426611.db2.gz CKOAUSPWJBOXBQ-JZXOWHBKSA-N 1 3 303.450 2.338 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C[NH2+]C/C=C/Cl)C1CC1 ZINC001276595091 1083505971 /nfs/dbraw/zinc/50/59/71/1083505971.db2.gz KATDHLSRQJMTMK-GMLRFVCHSA-N 1 3 313.873 2.098 20 0 DEADHO Cc1ncccc1CN1CCC[C@@]2(CC[N@@H+](CCN(C)C)C2)C1 ZINC001276623308 1083520585 /nfs/dbraw/zinc/52/05/85/1083520585.db2.gz RQKWZLZZMMCWCE-IBGZPJMESA-N 1 3 316.493 2.240 20 0 DEADHO Cc1ncccc1CN1CCC[C@@]2(CC[N@H+](CCN(C)C)C2)C1 ZINC001276623308 1083520593 /nfs/dbraw/zinc/52/05/93/1083520593.db2.gz RQKWZLZZMMCWCE-IBGZPJMESA-N 1 3 316.493 2.240 20 0 DEADHO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C(C)(C)C(C)(C)N)CC1=O ZINC001254235623 1083709522 /nfs/dbraw/zinc/70/95/22/1083709522.db2.gz AOBLKQZKBNSXEN-NSHDSACASA-N 1 3 313.442 2.018 20 0 DEADHO COC(=O)c1cc(CN2CCC(C[NH+](C)C)CC2)ccc1OC ZINC001234970086 1084251651 /nfs/dbraw/zinc/25/16/51/1084251651.db2.gz MPWGOBXGZARTSM-UHFFFAOYSA-N 1 3 320.433 2.255 20 0 DEADHO C[C@@H](Cc1ccc2c(c1)OCO2)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC001235029836 1084281801 /nfs/dbraw/zinc/28/18/01/1084281801.db2.gz AFIQMTIGQDZGOI-KSSFIOAISA-N 1 3 302.418 2.279 20 0 DEADHO C[C@H](CC[NH2+]Cc1ccccc1F)NC(=O)CN(C)C1CCC1 ZINC001272828775 1084326215 /nfs/dbraw/zinc/32/62/15/1084326215.db2.gz CYURIKFSTLKHEP-CQSZACIVSA-N 1 3 321.440 2.294 20 0 DEADHO c1ccn(-c2ccccc2CN2CCN(C3CC[NH2+]CC3)CC2)c1 ZINC001235699069 1084506126 /nfs/dbraw/zinc/50/61/26/1084506126.db2.gz KXHYNRBNECEKNE-UHFFFAOYSA-N 1 3 324.472 2.347 20 0 DEADHO COc1ccc(CN2CCC[C@@H](N3CC([NH3+])C3)C2)cc1C(C)C ZINC001236073806 1084604377 /nfs/dbraw/zinc/60/43/77/1084604377.db2.gz RHPGSPDIJCOMBG-QGZVFWFLSA-N 1 3 317.477 2.426 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]CCCF)C1CC1 ZINC001485839446 1084765283 /nfs/dbraw/zinc/76/52/83/1084765283.db2.gz YYRMMQLDKCSOHK-HZPDHXFCSA-N 1 3 313.461 2.047 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC2)C12CCC2 ZINC001078794363 1084898518 /nfs/dbraw/zinc/89/85/18/1084898518.db2.gz GCLNRJCAVQYZJO-CVEARBPZSA-N 1 3 316.449 2.078 20 0 DEADHO Cc1ccsc1CN1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001272934008 1084899567 /nfs/dbraw/zinc/89/95/67/1084899567.db2.gz LJBMYQBCGZLEDK-KRWDZBQOSA-N 1 3 321.490 2.185 20 0 DEADHO CC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccccc2CN(C)C)C12CCC2 ZINC001078820277 1084900543 /nfs/dbraw/zinc/90/05/43/1084900543.db2.gz WAFXIQRNWYEBQY-IAGOWNOFSA-N 1 3 315.461 2.399 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C)[C@H]1C ZINC001486093539 1085055671 /nfs/dbraw/zinc/05/56/71/1085055671.db2.gz XVMVAMRVLJUHQB-SJLPKXTDSA-N 1 3 317.477 2.416 20 0 DEADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]CCCC(C)(C)C)C1 ZINC001486458059 1085340766 /nfs/dbraw/zinc/34/07/66/1085340766.db2.gz PLSSDHHDXVGUAC-GPANFISMSA-N 1 3 309.498 2.486 20 0 DEADHO CC[NH+]1CCC(C2(NC(=O)CN3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC001486489880 1085369642 /nfs/dbraw/zinc/36/96/42/1085369642.db2.gz AMYGPILEVGAQOE-GASCZTMLSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1=CC[N@H+](CC2CC2)CC1 ZINC001486521357 1085404491 /nfs/dbraw/zinc/40/44/91/1085404491.db2.gz XFCPPNKZVJTEGN-HUUCEWRRSA-N 1 3 305.466 2.018 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1=CC[N@@H+](CC2CC2)CC1 ZINC001486521357 1085404496 /nfs/dbraw/zinc/40/44/96/1085404496.db2.gz XFCPPNKZVJTEGN-HUUCEWRRSA-N 1 3 305.466 2.018 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NC1CC2(C1)CC([NH2+]CCC1CC1)C2 ZINC000965064421 1085512431 /nfs/dbraw/zinc/51/24/31/1085512431.db2.gz PJLPGJPXUZWMTH-AEGNVBMISA-N 1 3 319.493 2.288 20 0 DEADHO CN(CC(=O)N1CCC(C[N@H+](C)CCC2CC2)CC1)C1CCC1 ZINC001494195271 1085566020 /nfs/dbraw/zinc/56/60/20/1085566020.db2.gz DSMQPARIEBQSPR-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CN(CC(=O)N1CCC(C[N@@H+](C)CCC2CC2)CC1)C1CCC1 ZINC001494195271 1085566030 /nfs/dbraw/zinc/56/60/30/1085566030.db2.gz DSMQPARIEBQSPR-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961265092 1085664410 /nfs/dbraw/zinc/66/44/10/1085664410.db2.gz VBKPKMDOVUZCGG-ROUUACIJSA-N 1 3 321.509 2.299 20 0 DEADHO CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961265092 1085664414 /nfs/dbraw/zinc/66/44/14/1085664414.db2.gz VBKPKMDOVUZCGG-ROUUACIJSA-N 1 3 321.509 2.299 20 0 DEADHO CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000961338557 1085695796 /nfs/dbraw/zinc/69/57/96/1085695796.db2.gz GCAQFESOWONLFA-IRXDYDNUSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000961338557 1085695800 /nfs/dbraw/zinc/69/58/00/1085695800.db2.gz GCAQFESOWONLFA-IRXDYDNUSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC000961374325 1085710288 /nfs/dbraw/zinc/71/02/88/1085710288.db2.gz LBIJPGJFTDENNM-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC000961374325 1085710297 /nfs/dbraw/zinc/71/02/97/1085710297.db2.gz LBIJPGJFTDENNM-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC000961401435 1085720725 /nfs/dbraw/zinc/72/07/25/1085720725.db2.gz FIZXEMXNSWLMRW-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC000961401435 1085720734 /nfs/dbraw/zinc/72/07/34/1085720734.db2.gz FIZXEMXNSWLMRW-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC000961401428 1085721309 /nfs/dbraw/zinc/72/13/09/1085721309.db2.gz FIZXEMXNSWLMRW-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC000961401428 1085721325 /nfs/dbraw/zinc/72/13/25/1085721325.db2.gz FIZXEMXNSWLMRW-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCCC[C@@H]2CNCCF)C1 ZINC001272985334 1085788046 /nfs/dbraw/zinc/78/80/46/1085788046.db2.gz PATRUUGHZFHOAN-JKSUJKDBSA-N 1 3 313.461 2.049 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCCC[C@@H]2CNCCF)C1 ZINC001272985334 1085788055 /nfs/dbraw/zinc/78/80/55/1085788055.db2.gz PATRUUGHZFHOAN-JKSUJKDBSA-N 1 3 313.461 2.049 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CCC2)C1 ZINC000961830135 1085873085 /nfs/dbraw/zinc/87/30/85/1085873085.db2.gz SRTOLHXDEMYQKI-JCYILVPMSA-N 1 3 307.482 2.144 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1csc(C)c1)N(C)C ZINC001273018968 1085983457 /nfs/dbraw/zinc/98/34/57/1085983457.db2.gz QPJBZCQYEWSAPP-WFASDCNBSA-N 1 3 311.495 2.381 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@H]1CCc2ccccc21 ZINC001128532937 1086186902 /nfs/dbraw/zinc/18/69/02/1086186902.db2.gz BPDSLJUZUHJACG-IRXDYDNUSA-N 1 3 321.440 2.060 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000963357879 1086424269 /nfs/dbraw/zinc/42/42/69/1086424269.db2.gz BGCRYOVLXIAHKW-IAGOWNOFSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000963357879 1086424274 /nfs/dbraw/zinc/42/42/74/1086424274.db2.gz BGCRYOVLXIAHKW-IAGOWNOFSA-N 1 3 321.509 2.441 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CC2CC2)C1 ZINC000963365786 1086427012 /nfs/dbraw/zinc/42/70/12/1086427012.db2.gz HUTQMYLYGVIMIU-RDJZCZTQSA-N 1 3 316.449 2.065 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([C@@H]2CCC[N@H+]2CC2CC2)C1 ZINC000963365786 1086427018 /nfs/dbraw/zinc/42/70/18/1086427018.db2.gz HUTQMYLYGVIMIU-RDJZCZTQSA-N 1 3 316.449 2.065 20 0 DEADHO CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963367519 1086428114 /nfs/dbraw/zinc/42/81/14/1086428114.db2.gz QIPAARGYNJCQCG-RDJZCZTQSA-N 1 3 318.465 2.455 20 0 DEADHO CCCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963367519 1086428116 /nfs/dbraw/zinc/42/81/16/1086428116.db2.gz QIPAARGYNJCQCG-RDJZCZTQSA-N 1 3 318.465 2.455 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963367375 1086428178 /nfs/dbraw/zinc/42/81/78/1086428178.db2.gz OSNMMDQJQPJFFK-NVXWUHKLSA-N 1 3 318.465 2.311 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963367375 1086428184 /nfs/dbraw/zinc/42/81/84/1086428184.db2.gz OSNMMDQJQPJFFK-NVXWUHKLSA-N 1 3 318.465 2.311 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000711001255 1086693372 /nfs/dbraw/zinc/69/33/72/1086693372.db2.gz CNKJLCPFIUTHKY-DKIMLUQUSA-N 1 3 315.461 2.141 20 0 DEADHO CC(C)[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)CC1 ZINC000957559313 1088408360 /nfs/dbraw/zinc/40/83/60/1088408360.db2.gz FWHKPMCKYYAJNO-KRWDZBQOSA-N 1 3 321.509 2.440 20 0 DEADHO CCC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001114794102 1088527310 /nfs/dbraw/zinc/52/73/10/1088527310.db2.gz CBGLLIQQWJYQPZ-GPGKUHEZSA-N 1 3 321.509 2.365 20 0 DEADHO CCC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001114794102 1088527320 /nfs/dbraw/zinc/52/73/20/1088527320.db2.gz CBGLLIQQWJYQPZ-GPGKUHEZSA-N 1 3 321.509 2.365 20 0 DEADHO Cc1ncsc1CN1CCC[C@@]2(CC[N@@H+](CCN(C)C)C2)C1 ZINC001276323328 1088983446 /nfs/dbraw/zinc/98/34/46/1088983446.db2.gz XPMHBPLXEVYGKL-KRWDZBQOSA-N 1 3 322.522 2.301 20 0 DEADHO Cc1ncsc1CN1CCC[C@@]2(CC[N@H+](CCN(C)C)C2)C1 ZINC001276323328 1088983464 /nfs/dbraw/zinc/98/34/64/1088983464.db2.gz XPMHBPLXEVYGKL-KRWDZBQOSA-N 1 3 322.522 2.301 20 0 DEADHO C[C@@H]1C[N@H+](CCCF)C[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001080989420 1089279452 /nfs/dbraw/zinc/27/94/52/1089279452.db2.gz KFHVZZUZCITMKV-RHSMWYFYSA-N 1 3 321.440 2.158 20 0 DEADHO C[C@@H]1C[N@@H+](CCCF)C[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001080989420 1089279463 /nfs/dbraw/zinc/27/94/63/1089279463.db2.gz KFHVZZUZCITMKV-RHSMWYFYSA-N 1 3 321.440 2.158 20 0 DEADHO Cc1cc(NCC[N@@H+](C)CCCN(C)C)nc(C2CCC2)n1 ZINC001412903030 1089645412 /nfs/dbraw/zinc/64/54/12/1089645412.db2.gz VVRZXEJRYXMTDJ-UHFFFAOYSA-N 1 3 305.470 2.348 20 0 DEADHO Cc1cc(NCC[N@H+](C)CCCN(C)C)nc(C2CCC2)n1 ZINC001412903030 1089645421 /nfs/dbraw/zinc/64/54/21/1089645421.db2.gz VVRZXEJRYXMTDJ-UHFFFAOYSA-N 1 3 305.470 2.348 20 0 DEADHO CCN1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC001084603606 1090342221 /nfs/dbraw/zinc/34/22/21/1090342221.db2.gz AGYLOUXGYMDWDB-KBAYOESNSA-N 1 3 319.493 2.336 20 0 DEADHO CCN1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC001084603606 1090342231 /nfs/dbraw/zinc/34/22/31/1090342231.db2.gz AGYLOUXGYMDWDB-KBAYOESNSA-N 1 3 319.493 2.336 20 0 DEADHO CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@H]21 ZINC001085049758 1090617773 /nfs/dbraw/zinc/61/77/73/1090617773.db2.gz XMPSKTNJJMIVMM-ZACQAIPSSA-N 1 3 307.482 2.192 20 0 DEADHO CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@H]21 ZINC001085049758 1090617776 /nfs/dbraw/zinc/61/77/76/1090617776.db2.gz XMPSKTNJJMIVMM-ZACQAIPSSA-N 1 3 307.482 2.192 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001410442516 1090678225 /nfs/dbraw/zinc/67/82/25/1090678225.db2.gz SSVQNLIQYHAWFM-WBVHZDCISA-N 1 3 317.477 2.273 20 0 DEADHO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2Cc1ccc2cc[nH]c2c1 ZINC001276055179 1091493398 /nfs/dbraw/zinc/49/33/98/1091493398.db2.gz STUBLCQKEGBQKI-HDICACEKSA-N 1 3 312.461 2.378 20 0 DEADHO c1cn(CC[N@@H+]2CCC3(CN(CC4CCCCC4)C3)C2)cn1 ZINC001275038571 1091526291 /nfs/dbraw/zinc/52/62/91/1091526291.db2.gz DKRJKEPZIQVHLX-UHFFFAOYSA-N 1 3 302.466 2.471 20 0 DEADHO c1cn(CC[N@H+]2CCC3(CN(CC4CCCCC4)C3)C2)cn1 ZINC001275038571 1091526297 /nfs/dbraw/zinc/52/62/97/1091526297.db2.gz DKRJKEPZIQVHLX-UHFFFAOYSA-N 1 3 302.466 2.471 20 0 DEADHO CN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC001412675068 1091665153 /nfs/dbraw/zinc/66/51/53/1091665153.db2.gz IMSWTSBSMNGTTA-GOEBONIOSA-N 1 3 307.482 2.097 20 0 DEADHO CN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC001412675068 1091665158 /nfs/dbraw/zinc/66/51/58/1091665158.db2.gz IMSWTSBSMNGTTA-GOEBONIOSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1nc(CN2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)co1 ZINC001276265044 1091754297 /nfs/dbraw/zinc/75/42/97/1091754297.db2.gz OBOIWFJWXKKOKF-IYBDPMFKSA-N 1 3 315.421 2.050 20 0 DEADHO Cc1nc(CN2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)co1 ZINC001276265044 1091754303 /nfs/dbraw/zinc/75/43/03/1091754303.db2.gz OBOIWFJWXKKOKF-IYBDPMFKSA-N 1 3 315.421 2.050 20 0 DEADHO C[C@H](C[N@H+](C)CC1=CCCCC1)NC(=O)C1(N(C)C)CCC1 ZINC001275574220 1091876400 /nfs/dbraw/zinc/87/64/00/1091876400.db2.gz QFRRAHAXAPSMFZ-OAHLLOKOSA-N 1 3 307.482 2.408 20 0 DEADHO C[C@H](C[N@@H+](C)CC1=CCCCC1)NC(=O)C1(N(C)C)CCC1 ZINC001275574220 1091876407 /nfs/dbraw/zinc/87/64/07/1091876407.db2.gz QFRRAHAXAPSMFZ-OAHLLOKOSA-N 1 3 307.482 2.408 20 0 DEADHO CC[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CC[C@H](C)F ZINC001443966336 1091877247 /nfs/dbraw/zinc/87/72/47/1091877247.db2.gz NUGJAMWJXKVQMW-UONOGXRCSA-N 1 3 301.450 2.093 20 0 DEADHO C[C@H](CC[NH+](C)C)C(=O)N(CCc1ccccc1)CCN(C)C ZINC001411667964 1091980738 /nfs/dbraw/zinc/98/07/38/1091980738.db2.gz QQDUEXBHPAJJTN-QGZVFWFLSA-N 1 3 319.493 2.207 20 0 DEADHO Cc1ccc(CN[C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)cn1 ZINC001275854819 1092233969 /nfs/dbraw/zinc/23/39/69/1092233969.db2.gz IRLZVSOVBHSISH-MOPGFXCFSA-N 1 3 316.493 2.476 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001493124656 1092286644 /nfs/dbraw/zinc/28/66/44/1092286644.db2.gz OTEDDNSUCYUUDW-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C)C[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001493124656 1092286661 /nfs/dbraw/zinc/28/66/61/1092286661.db2.gz OTEDDNSUCYUUDW-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2Cc1ccc(F)c(F)c1 ZINC001275933734 1092346611 /nfs/dbraw/zinc/34/66/11/1092346611.db2.gz HLPYLCANBVOVSI-IRXDYDNUSA-N 1 3 309.404 2.175 20 0 DEADHO Cc1[nH]c2ccccc2c1CN1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001275955942 1092372453 /nfs/dbraw/zinc/37/24/53/1092372453.db2.gz BAARJRRIYLDEBK-UHFFFAOYSA-N 1 3 312.461 2.156 20 0 DEADHO C[C@H](F)CCN1CC[C@H]1CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001488698890 1092695079 /nfs/dbraw/zinc/69/50/79/1092695079.db2.gz MCGFUQNFAHTILI-HOTGVXAUSA-N 1 3 313.461 2.143 20 0 DEADHO CN(CC(=O)NC[C@H]([NH2+]CC1CCC1)C1CC1)CC(C)(C)C ZINC001490709171 1093476910 /nfs/dbraw/zinc/47/69/10/1093476910.db2.gz GUGAULOVZGCTJQ-INIZCTEOSA-N 1 3 309.498 2.249 20 0 DEADHO O=C(CN1CCCC1)N1CCC(CC[NH2+]CCC2CC2)CC1 ZINC001495444863 1093728782 /nfs/dbraw/zinc/72/87/82/1093728782.db2.gz KVYHJIUCVGPZNU-UHFFFAOYSA-N 1 3 307.482 2.101 20 0 DEADHO CN(C)C1(C(=O)NC/C=C/C[NH2+]CC2CCCCC2)CCC1 ZINC001274088139 1093794153 /nfs/dbraw/zinc/79/41/53/1093794153.db2.gz GETNWXSEANESAH-VOTSOKGWSA-N 1 3 307.482 2.313 20 0 DEADHO CN(C)C1(C(=O)NC/C=C/C[NH2+]CCC2CCCC2)CCC1 ZINC001274087844 1093795225 /nfs/dbraw/zinc/79/52/25/1093795225.db2.gz DGVLKWILIGGRSI-AATRIKPKSA-N 1 3 307.482 2.313 20 0 DEADHO CCOC(=O)[C@@H]1CN(Cc2ccccc2Cl)CCC12C[NH2+]C2 ZINC001237410307 1138613756 /nfs/dbraw/zinc/61/37/56/1138613756.db2.gz LNGHVVBXYXGWDE-AWEZNQCLSA-N 1 3 322.836 2.315 20 0 DEADHO C[C@@H](NC(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1)C1CCCCC1 ZINC001239214275 1138988056 /nfs/dbraw/zinc/98/80/56/1138988056.db2.gz GOMFPONFIYKAQH-GDBMZVCRSA-N 1 3 322.497 2.129 20 0 DEADHO CN1CCN(Cc2ccc(-c3[nH+]ccc4c3CCN4)cc2)CC1 ZINC001240390301 1139354543 /nfs/dbraw/zinc/35/45/43/1139354543.db2.gz XURLPFQMDJOQHM-UHFFFAOYSA-N 1 3 308.429 2.464 20 0 DEADHO CCN1CCN(c2ccc(-c3cc(C[NH2+]C)ncn3)cc2)CC1 ZINC001241742050 1139847631 /nfs/dbraw/zinc/84/76/31/1139847631.db2.gz CTTOZWRBVHKERX-UHFFFAOYSA-N 1 3 311.433 2.005 20 0 DEADHO CC[N@H+](C)CCC(=O)NCCN(C)[C@H](C)c1cccc(C)c1 ZINC001492484480 1140513393 /nfs/dbraw/zinc/51/33/93/1140513393.db2.gz SRNOZDWSDMRSMY-MRXNPFEDSA-N 1 3 305.466 2.446 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCCN(C)[C@H](C)c1cccc(C)c1 ZINC001492484480 1140513401 /nfs/dbraw/zinc/51/34/01/1140513401.db2.gz SRNOZDWSDMRSMY-MRXNPFEDSA-N 1 3 305.466 2.446 20 0 DEADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)C[NH2+]C/C=C\Cl ZINC001319245524 1140534394 /nfs/dbraw/zinc/53/43/94/1140534394.db2.gz NPXQENPKALHJDS-FWWRYZNZSA-N 1 3 303.878 2.059 20 0 DEADHO C[C@H](C[NH2+]CC[C@H](C)F)N(C)C(=O)CN(C)CC(C)(C)C ZINC001319534006 1140611281 /nfs/dbraw/zinc/61/12/81/1140611281.db2.gz NETFCMYLSBJICB-UONOGXRCSA-N 1 3 303.466 2.149 20 0 DEADHO CC(C)c1ccc(OC[C@H](O)C[NH2+]CC2(N)CCCC2)cc1 ZINC001245974574 1140839962 /nfs/dbraw/zinc/83/99/62/1140839962.db2.gz MCWJVFMFDMEMLW-MRXNPFEDSA-N 1 3 306.450 2.411 20 0 DEADHO CCCCOC[C@H](O)CN1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246032286 1140850868 /nfs/dbraw/zinc/85/08/68/1140850868.db2.gz RWNOVUMPATYZPW-MSOLQXFVSA-N 1 3 312.498 2.410 20 0 DEADHO NC1(C[NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)CCCC1 ZINC001246077574 1140857826 /nfs/dbraw/zinc/85/78/26/1140857826.db2.gz XDXSMAKBLFZOLS-MRXNPFEDSA-N 1 3 301.434 2.152 20 0 DEADHO C[C@@H]1CC[C@@H](NCCSCc2ccc(CN(C)C)o2)C[NH2+]1 ZINC001246081823 1140858232 /nfs/dbraw/zinc/85/82/32/1140858232.db2.gz IHMHTGLOKLGNQM-ZIAGYGMSSA-N 1 3 311.495 2.305 20 0 DEADHO C[C@H]1C[C@H](NCCN2CCC(Cc3ccccc3)CC2)C[NH2+]1 ZINC001246091603 1140860392 /nfs/dbraw/zinc/86/03/92/1140860392.db2.gz FPHIITNFOYFKAO-LPHOPBHVSA-N 1 3 301.478 2.281 20 0 DEADHO Clc1cccc2c1C[C@@H]([NH2+][C@@H]1[C@H]3CNC[C@@H]1COC3)CC2 ZINC001246145160 1140866315 /nfs/dbraw/zinc/86/63/15/1140866315.db2.gz DQSCEHRXUKJJNW-QDEZUTFSSA-N 1 3 306.837 2.021 20 0 DEADHO Cc1ccc(SC[C@H](C)N[C@@H]2[C@H]3C[NH2+]C[C@@H]2COC3)cc1 ZINC001246148884 1140866891 /nfs/dbraw/zinc/86/68/91/1140866891.db2.gz NYKOVWCOVVVHKQ-LJIGWXMPSA-N 1 3 306.475 2.300 20 0 DEADHO Cc1ccc(SC[C@H](C)[NH2+][C@@H]2[C@H]3CNC[C@@H]2COC3)cc1 ZINC001246148884 1140866892 /nfs/dbraw/zinc/86/68/92/1140866892.db2.gz NYKOVWCOVVVHKQ-LJIGWXMPSA-N 1 3 306.475 2.300 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)CCN1 ZINC001246167185 1140869265 /nfs/dbraw/zinc/86/92/65/1140869265.db2.gz DIQQBMXDHKXGLL-RHSMWYFYSA-N 1 3 301.434 2.021 20 0 DEADHO FC1(F)CNCC[C@@H]1C[NH2+][C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246225265 1140874792 /nfs/dbraw/zinc/87/47/92/1140874792.db2.gz BGJUBGWVKRPPHZ-ZACQAIPSSA-N 1 3 323.431 2.184 20 0 DEADHO OCC[C@]1([NH2+]C2CCC(Cc3ccccc3)CC2)CCNC1 ZINC001246292589 1140881479 /nfs/dbraw/zinc/88/14/79/1140881479.db2.gz KQWPPZXUIWQTIB-CTWPCTMYSA-N 1 3 302.462 2.492 20 0 DEADHO Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]C[C@@H]2CSCCN2)CCN1 ZINC001246333828 1140885020 /nfs/dbraw/zinc/88/50/20/1140885020.db2.gz ARPLWLXRQKIQAO-INMHGKMJSA-N 1 3 323.481 2.222 20 0 DEADHO Cc1c(F)cccc1CN1CCC([NH2+][C@@H]2CCCNC2)CC1 ZINC001246356252 1140887710 /nfs/dbraw/zinc/88/77/10/1140887710.db2.gz SBGSHFGEBXYGSL-QGZVFWFLSA-N 1 3 305.441 2.440 20 0 DEADHO CCN(CC[NH2+]CC1CC2(CCC2)C1)C(=O)C1(N(C)C)CCC1 ZINC001320755839 1140911096 /nfs/dbraw/zinc/91/10/96/1140911096.db2.gz FKAJRADSEMWKFT-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO N[C@@H]1CC[N@@H+](C2CCN(CCc3ccccc3)CC2)CC[C@H]1F ZINC001246589513 1140992916 /nfs/dbraw/zinc/99/29/16/1140992916.db2.gz SJELBTOLVMTKOL-RTBURBONSA-N 1 3 319.468 2.455 20 0 DEADHO N[C@@H]1CC[N@H+](C2CCN(CCc3ccccc3)CC2)CC[C@H]1F ZINC001246589513 1140992934 /nfs/dbraw/zinc/99/29/34/1140992934.db2.gz SJELBTOLVMTKOL-RTBURBONSA-N 1 3 319.468 2.455 20 0 DEADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCC[C@H](CN)C1)C2 ZINC001246589269 1140994412 /nfs/dbraw/zinc/99/44/12/1140994412.db2.gz DTPYTJSLEMZGTF-LVQVYYBASA-N 1 3 309.454 2.199 20 0 DEADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCC[C@H](CN)C1)C2 ZINC001246589269 1140994423 /nfs/dbraw/zinc/99/44/23/1140994423.db2.gz DTPYTJSLEMZGTF-LVQVYYBASA-N 1 3 309.454 2.199 20 0 DEADHO CCOC(=O)[C@@]12C[N@@H+]([C@@H]3CCC[C@H](C)C3)C[C@@H]1CNCCC2 ZINC001246599254 1140997771 /nfs/dbraw/zinc/99/77/71/1140997771.db2.gz BRVFBYLDMOARFC-CUSZFKRNSA-N 1 3 308.466 2.430 20 0 DEADHO CCOC(=O)[C@@]12C[N@H+]([C@@H]3CCC[C@H](C)C3)C[C@@H]1CNCCC2 ZINC001246599254 1140997781 /nfs/dbraw/zinc/99/77/81/1140997781.db2.gz BRVFBYLDMOARFC-CUSZFKRNSA-N 1 3 308.466 2.430 20 0 DEADHO CCOC(=O)c1ccc(C[C@H](C)N2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246631774 1141013824 /nfs/dbraw/zinc/01/38/24/1141013824.db2.gz SCFJVFYWEFHPHU-HNAYVOBHSA-N 1 3 316.445 2.480 20 0 DEADHO Fc1ccc2c(c1)CC[C@@H](N1CC[NH2+]C[C@]3(CCCCN3)C1)C2 ZINC001246637093 1141016013 /nfs/dbraw/zinc/01/60/13/1141016013.db2.gz XSSKYLFZYDRHQV-RTBURBONSA-N 1 3 317.452 2.101 20 0 DEADHO C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)CCN1 ZINC001246753879 1141052739 /nfs/dbraw/zinc/05/27/39/1141052739.db2.gz DKHLAKNWCWJRIB-NXWXRZEISA-N 1 3 322.493 2.282 20 0 DEADHO C[C@@H]1C[C@H]([N@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)CCN1 ZINC001246753879 1141052746 /nfs/dbraw/zinc/05/27/46/1141052746.db2.gz DKHLAKNWCWJRIB-NXWXRZEISA-N 1 3 322.493 2.282 20 0 DEADHO C[C@@H]1C[C@H](N2CCN[C@@H](c3cccc(Br)c3)C2)C[NH2+]1 ZINC001246806409 1141068054 /nfs/dbraw/zinc/06/80/54/1141068054.db2.gz MXTUIYCQWABQNO-BYCMXARLSA-N 1 3 324.266 2.146 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC/C=C/C[NH2+]CC1CCC(C)CC1 ZINC001321352174 1141197095 /nfs/dbraw/zinc/19/70/95/1141197095.db2.gz COWBDIDQMAJJPP-ONEGZZNKSA-N 1 3 318.465 2.349 20 0 DEADHO COC(=O)[C@@H]1CN([C@H]2CC[NH2+][C@H](C)C2)C[C@@H]1c1ccccc1 ZINC001246983325 1141213100 /nfs/dbraw/zinc/21/31/00/1141213100.db2.gz HNKAFPQRCLEIRY-XLNGHYISSA-N 1 3 302.418 2.016 20 0 DEADHO CCc1ccccc1C[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C ZINC001322442469 1141587247 /nfs/dbraw/zinc/58/72/47/1141587247.db2.gz MELMXZKUHIEXFV-GOSISDBHSA-N 1 3 317.477 2.281 20 0 DEADHO CN(C)Cc1ccc(-c2noc(CC3CC4(C[NH2+]C4)C3)n2)cc1 ZINC001247881744 1141595403 /nfs/dbraw/zinc/59/54/03/1141595403.db2.gz HILYKDNIXSTZOP-UHFFFAOYSA-N 1 3 312.417 2.340 20 0 DEADHO COc1ccc2nc(CN3CCC4(C[NH+](C)C4)CC3)[nH]c2c1 ZINC001249415094 1141885902 /nfs/dbraw/zinc/88/59/02/1141885902.db2.gz KFRDCDRAUTUAAV-UHFFFAOYSA-N 1 3 300.406 2.099 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCF)C1 ZINC001278555837 1142094954 /nfs/dbraw/zinc/09/49/54/1142094954.db2.gz GKDJTGVVVPNOJH-DOTOQJQBSA-N 1 3 313.461 2.047 20 0 DEADHO COc1cccc([C@H](O)C[NH2+][C@H]2CCN(C(C)C)C[C@H]2C)c1 ZINC001250740966 1142301240 /nfs/dbraw/zinc/30/12/40/1142301240.db2.gz DEZIANOFKODRFT-FHLIZLRMSA-N 1 3 306.450 2.437 20 0 DEADHO CC[C@@H](O)C[NH+]1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC001251771313 1142508751 /nfs/dbraw/zinc/50/87/51/1142508751.db2.gz RIJZYEBWFHGEHQ-QGZVFWFLSA-N 1 3 303.450 2.140 20 0 DEADHO CCCC[C@H](O)C[NH2+]Cc1ccccc1CN1CCN(C)CC1 ZINC001252107855 1142642932 /nfs/dbraw/zinc/64/29/32/1142642932.db2.gz JEHBQJHHRAHMMZ-IBGZPJMESA-N 1 3 319.493 2.075 20 0 DEADHO CCCC[C@@H](O)C[NH2+]Cc1ccccc1CN1CCN(C)CC1 ZINC001252107856 1142643408 /nfs/dbraw/zinc/64/34/08/1142643408.db2.gz JEHBQJHHRAHMMZ-LJQANCHMSA-N 1 3 319.493 2.075 20 0 DEADHO CC[NH+](CC)C[C@H](O)CN[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001253211215 1142854454 /nfs/dbraw/zinc/85/44/54/1142854454.db2.gz UJVQUTWKADBIHD-IAGOWNOFSA-N 1 3 310.869 2.490 20 0 DEADHO CC(C)(C)[NH2+]C[C@@H](O)CNCCc1c[nH]c2cc(F)ccc12 ZINC001253405104 1142869385 /nfs/dbraw/zinc/86/93/85/1142869385.db2.gz OGWWAVNRCPJWEM-AWEZNQCLSA-N 1 3 307.413 2.188 20 0 DEADHO CCC[N@H+](CCOC)CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254029788 1143029879 /nfs/dbraw/zinc/02/98/79/1143029879.db2.gz OOHVGVDLJUEJQP-UHFFFAOYSA-N 1 3 320.477 2.372 20 0 DEADHO CCC[N@@H+](CCOC)CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254029788 1143029891 /nfs/dbraw/zinc/02/98/91/1143029891.db2.gz OOHVGVDLJUEJQP-UHFFFAOYSA-N 1 3 320.477 2.372 20 0 DEADHO O=C1CCC[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254051299 1143032594 /nfs/dbraw/zinc/03/25/94/1143032594.db2.gz GZOMNWOOYVCXQH-KRWDZBQOSA-N 1 3 316.445 2.115 20 0 DEADHO C[N@@H+]1CCC[C@@H](N[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001254499562 1143138646 /nfs/dbraw/zinc/13/86/46/1143138646.db2.gz JHSGXVZTZSJHCA-VBQJREDUSA-N 1 3 309.454 2.070 20 0 DEADHO C[N@H+]1CCC[C@@H](N[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001254499562 1143138666 /nfs/dbraw/zinc/13/86/66/1143138666.db2.gz JHSGXVZTZSJHCA-VBQJREDUSA-N 1 3 309.454 2.070 20 0 DEADHO C[C@H]([NH2+][C@@H]1CCCN(C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC001254499536 1143142960 /nfs/dbraw/zinc/14/29/60/1143142960.db2.gz IPVOIUCHWBTXSS-DZGCQCFKSA-N 1 3 310.463 2.225 20 0 DEADHO C[N@@H+]1CCC[C@H](N2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001254522607 1143197917 /nfs/dbraw/zinc/19/79/17/1143197917.db2.gz HPASMZIPBPSQLI-GJZGRUSLSA-N 1 3 311.470 2.460 20 0 DEADHO C[N@H+]1CCC[C@H](N2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001254522607 1143197967 /nfs/dbraw/zinc/19/79/67/1143197967.db2.gz HPASMZIPBPSQLI-GJZGRUSLSA-N 1 3 311.470 2.460 20 0 DEADHO CN(Cc1ccccc1)C(=O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC001255666263 1143800131 /nfs/dbraw/zinc/80/01/31/1143800131.db2.gz YRRKMPQGBOQAMT-AYHJJNSGSA-N 1 3 315.461 2.250 20 0 DEADHO CCN(C(=O)C[C@H](N)c1cc(C)nc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC001342173824 1143801015 /nfs/dbraw/zinc/80/10/15/1143801015.db2.gz NQOTZGZHOLOYFU-KBPBESRZSA-N 1 3 324.856 2.034 20 0 DEADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](C3CCCCCC3)CC[C@@H]21 ZINC001255890319 1143813096 /nfs/dbraw/zinc/81/30/96/1143813096.db2.gz YVUZDCLFWWSLDI-NJAFHUGGSA-N 1 3 317.481 2.396 20 0 DEADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](C3CCCCCC3)CC[C@@H]21 ZINC001255890319 1143813097 /nfs/dbraw/zinc/81/30/97/1143813097.db2.gz YVUZDCLFWWSLDI-NJAFHUGGSA-N 1 3 317.481 2.396 20 0 DEADHO CCN(CC)CC[C@H](C)[NH2+]CC1CCN(c2ccncn2)CC1 ZINC001255954743 1143816851 /nfs/dbraw/zinc/81/68/51/1143816851.db2.gz YXPZVRJJSRUJER-INIZCTEOSA-N 1 3 319.497 2.403 20 0 DEADHO C(O[C@H]1CO[C@@]2(CCN(C3CC[NH+](C4CC4)CC3)C2)C1)C1CC1 ZINC001256077012 1143827924 /nfs/dbraw/zinc/82/79/24/1143827924.db2.gz KMHDFLBLGIFIRN-MOPGFXCFSA-N 1 3 320.477 2.273 20 0 DEADHO CN1CC[C@@H]2C[N@@H+](C3CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]2C1 ZINC001256292315 1143840829 /nfs/dbraw/zinc/84/08/29/1143840829.db2.gz UPWSJNDBNSSMDK-CABCVRRESA-N 1 3 323.481 2.269 20 0 DEADHO CN1CC[C@@H]2C[N@H+](C3CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]2C1 ZINC001256292315 1143840830 /nfs/dbraw/zinc/84/08/30/1143840830.db2.gz UPWSJNDBNSSMDK-CABCVRRESA-N 1 3 323.481 2.269 20 0 DEADHO C[C@@H]1C[C@H](N[C@@H]2CNC(=O)C2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001256536009 1143852103 /nfs/dbraw/zinc/85/21/03/1143852103.db2.gz FBHXJHAYSULTFE-DJIMGWMZSA-N 1 3 315.461 2.154 20 0 DEADHO C[C@@H]1C[C@H](N[C@@H]2CNC(=O)C2(C)C)CC[N@H+]1Cc1ccccc1 ZINC001256536009 1143852104 /nfs/dbraw/zinc/85/21/04/1143852104.db2.gz FBHXJHAYSULTFE-DJIMGWMZSA-N 1 3 315.461 2.154 20 0 DEADHO c1cc(CN2CCC(N3CC[N@@H+]4CCCC[C@H]4C3)CC2)ccn1 ZINC001256590758 1143856061 /nfs/dbraw/zinc/85/60/61/1143856061.db2.gz MLEQLOOHGGGRMA-IBGZPJMESA-N 1 3 314.477 2.216 20 0 DEADHO c1cc(CN2CCC(N3CC[N@H+]4CCCC[C@H]4C3)CC2)ccn1 ZINC001256590758 1143856062 /nfs/dbraw/zinc/85/60/62/1143856062.db2.gz MLEQLOOHGGGRMA-IBGZPJMESA-N 1 3 314.477 2.216 20 0 DEADHO COC(=O)Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC001256621625 1143858036 /nfs/dbraw/zinc/85/80/36/1143858036.db2.gz XMXUYLFCPKYMIS-ALOPSCKCSA-N 1 3 302.418 2.117 20 0 DEADHO CC(C)CC(=O)NC1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001256628269 1143858465 /nfs/dbraw/zinc/85/84/65/1143858465.db2.gz YPAMEYASIQSLCQ-SJPCQFCGSA-N 1 3 307.482 2.238 20 0 DEADHO CC(C)CC(=O)NC1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001256628269 1143858466 /nfs/dbraw/zinc/85/84/66/1143858466.db2.gz YPAMEYASIQSLCQ-SJPCQFCGSA-N 1 3 307.482 2.238 20 0 DEADHO [NH3+]CCc1ccc(NC2CCC(N3CCOCC3)CC2)cc1 ZINC001256677758 1143861590 /nfs/dbraw/zinc/86/15/90/1143861590.db2.gz IFRSKXBEVLMASJ-UHFFFAOYSA-N 1 3 303.450 2.243 20 0 DEADHO [NH3+]Cc1ccc2ncn(C3CCC(N4CCOCC4)CC3)c2c1 ZINC001256681890 1143861787 /nfs/dbraw/zinc/86/17/87/1143861787.db2.gz DQOHYSRCSGTEJR-UHFFFAOYSA-N 1 3 314.433 2.311 20 0 DEADHO Fc1ccc2c(c1)[C@H]([NH2+]C1CCC(N3CCOCC3)CC1)CO2 ZINC001256685255 1143862052 /nfs/dbraw/zinc/86/20/52/1143862052.db2.gz ANLPDIWWVJJIAK-VMBOVVBDSA-N 1 3 320.408 2.492 20 0 DEADHO C[NH2+]Cc1ccc(NC2CCC(N3CCOCC3)CC2)cc1 ZINC001256694704 1143862987 /nfs/dbraw/zinc/86/29/87/1143862987.db2.gz DHVWZRJXCBDCMF-UHFFFAOYSA-N 1 3 303.450 2.461 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(CC3CCOCC3)CC2)C[C@H](C)O1 ZINC001257083700 1143886088 /nfs/dbraw/zinc/88/60/88/1143886088.db2.gz JRWOOWBCXIAPQS-JLVBRIDZSA-N 1 3 310.482 2.423 20 0 DEADHO COc1ccc(C[C@H](CO)NC2CC[NH+](C(C)C)CC2)cc1 ZINC001257209064 1143892978 /nfs/dbraw/zinc/89/29/78/1143892978.db2.gz YIIZJUMQWXCYJG-QGZVFWFLSA-N 1 3 306.450 2.061 20 0 DEADHO COc1ccc2cc(CC[C@@H](C)NC[C@@H](O)C[NH3+])ccc2c1 ZINC001257268842 1143896096 /nfs/dbraw/zinc/89/60/96/1143896096.db2.gz IIJWQDRFFRISPT-DYVFJYSZSA-N 1 3 302.418 2.079 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C[NH2+]CCCF)C(C)(C)C)N(C)C ZINC001279020673 1143934157 /nfs/dbraw/zinc/93/41/57/1143934157.db2.gz AAQGADAEYOESKJ-KGLIPLIRSA-N 1 3 303.466 2.053 20 0 DEADHO C[C@@H]1CN(C2CC[NH+](CCc3ccccc3)CC2)CCN1C ZINC001258146992 1143978181 /nfs/dbraw/zinc/97/81/81/1143978181.db2.gz DLSPWBUCNZDAEX-QGZVFWFLSA-N 1 3 301.478 2.329 20 0 DEADHO CCCN1CCC([NH2+]Cc2ccc(OC3COC3)cc2)CC1 ZINC001258766062 1144038962 /nfs/dbraw/zinc/03/89/62/1144038962.db2.gz LCLDQPNULCGOJM-UHFFFAOYSA-N 1 3 304.434 2.428 20 0 DEADHO COc1cc(C[C@@H](C)N(C)C[C@@H](C)C[NH3+])cc(OC)c1OC ZINC001258861852 1144047806 /nfs/dbraw/zinc/04/78/06/1144047806.db2.gz LBZASDWJKYKPOB-QWHCGFSZSA-N 1 3 310.438 2.170 20 0 DEADHO COc1cc(C[C@@H](C)[N@H+](C)C[C@@H](C)CN)cc(OC)c1OC ZINC001258861852 1144047810 /nfs/dbraw/zinc/04/78/10/1144047810.db2.gz LBZASDWJKYKPOB-QWHCGFSZSA-N 1 3 310.438 2.170 20 0 DEADHO COc1cc(C[C@@H](C)[N@@H+](C)C[C@@H](C)CN)cc(OC)c1OC ZINC001258861852 1144047814 /nfs/dbraw/zinc/04/78/14/1144047814.db2.gz LBZASDWJKYKPOB-QWHCGFSZSA-N 1 3 310.438 2.170 20 0 DEADHO CCOC(=O)c1c(CN)ncn1[C@@H](C)CCC[NH+](CC)CC ZINC001258897504 1144052419 /nfs/dbraw/zinc/05/24/19/1144052419.db2.gz LQORDXIBXLGWJP-ZDUSSCGKSA-N 1 3 310.442 2.202 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC001261500567 1144252674 /nfs/dbraw/zinc/25/26/74/1144252674.db2.gz XBWPYGGKDRPLBC-KBPBESRZSA-N 1 3 324.856 2.034 20 0 DEADHO CC[N@H+]1CCC[C@H]1CNC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC001261500567 1144252679 /nfs/dbraw/zinc/25/26/79/1144252679.db2.gz XBWPYGGKDRPLBC-KBPBESRZSA-N 1 3 324.856 2.034 20 0 DEADHO CN(C)CC[N@H+](C)CCCNCc1nc(-c2ccccc2)c[nH]1 ZINC001261781707 1144276319 /nfs/dbraw/zinc/27/63/19/1144276319.db2.gz GADYAYRKTCPNJU-UHFFFAOYSA-N 1 3 315.465 2.050 20 0 DEADHO CN(C)CC[N@@H+](C)CCCNCc1nc(-c2ccccc2)c[nH]1 ZINC001261781707 1144276323 /nfs/dbraw/zinc/27/63/23/1144276323.db2.gz GADYAYRKTCPNJU-UHFFFAOYSA-N 1 3 315.465 2.050 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]Cc2cn(CC)nc2C)[C@H](C)C1 ZINC001262360424 1144309043 /nfs/dbraw/zinc/30/90/43/1144309043.db2.gz GGIPZSBDIHJPFV-QAPCUYQASA-N 1 3 322.497 2.438 20 0 DEADHO C[C@@H](CN)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC000382022692 1144385702 /nfs/dbraw/zinc/38/57/02/1144385702.db2.gz YRJVPZXNRJTLNG-KBPBESRZSA-N 1 3 311.470 2.493 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCCF)C1)N1CCCCCC1 ZINC001263873891 1144418049 /nfs/dbraw/zinc/41/80/49/1144418049.db2.gz KALSVYDOGNIACW-JYJNAYRXSA-N 1 3 313.461 2.095 20 0 DEADHO CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001264372281 1144516736 /nfs/dbraw/zinc/51/67/36/1144516736.db2.gz BBXYADUXDWLOLH-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001264372281 1144516742 /nfs/dbraw/zinc/51/67/42/1144516742.db2.gz BBXYADUXDWLOLH-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1CC[NH2+]CC1CCC1 ZINC001264518009 1144556898 /nfs/dbraw/zinc/55/68/98/1144556898.db2.gz NSMIQRFEVCFPQW-WMLDXEAASA-N 1 3 318.465 2.359 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[N@@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001265061679 1144635322 /nfs/dbraw/zinc/63/53/22/1144635322.db2.gz ADAXLKPGJOKRMJ-OWCLPIDISA-N 1 3 318.465 2.135 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[N@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001265061679 1144635325 /nfs/dbraw/zinc/63/53/25/1144635325.db2.gz ADAXLKPGJOKRMJ-OWCLPIDISA-N 1 3 318.465 2.135 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+]C/C=C/Cl ZINC001280458103 1144840850 /nfs/dbraw/zinc/84/08/50/1144840850.db2.gz NTIBURNWVZLGRY-IZPAUZPXSA-N 1 3 301.862 2.051 20 0 DEADHO OC1(C[NH+]2CCCCC2)CCN(C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC001364520777 1145314100 /nfs/dbraw/zinc/31/41/00/1145314100.db2.gz FMABWYMUUKWLCA-SQNIBIBYSA-N 1 3 322.493 2.257 20 0 DEADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(-n3cncn3)c(F)c2)C1 ZINC001364586321 1145362403 /nfs/dbraw/zinc/36/24/03/1145362403.db2.gz DFPGUGDVHRRAGX-HNNXBMFYSA-N 1 3 317.412 2.228 20 0 DEADHO C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001364640240 1145396565 /nfs/dbraw/zinc/39/65/65/1145396565.db2.gz PGQKVOKJOGHWMN-YQFWSFKMSA-N 1 3 301.434 2.334 20 0 DEADHO CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@H]1C ZINC001364647153 1145399883 /nfs/dbraw/zinc/39/98/83/1145399883.db2.gz WZZBWEDGPNYMRG-CRAIPNDOSA-N 1 3 317.477 2.456 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]CCC1CC1)C1CC1 ZINC001283557512 1145520778 /nfs/dbraw/zinc/52/07/78/1145520778.db2.gz RUUKLDSYZCXLFP-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC2=CCCCC2)C[C@@H]1C ZINC001284025392 1145756181 /nfs/dbraw/zinc/75/61/81/1145756181.db2.gz JQVDFPSEVZHVIG-DOTOQJQBSA-N 1 3 307.482 2.408 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001365111299 1145803622 /nfs/dbraw/zinc/80/36/22/1145803622.db2.gz OIMUYAOCBXWXLK-DLBZAZTESA-N 1 3 322.497 2.034 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001365111299 1145803623 /nfs/dbraw/zinc/80/36/23/1145803623.db2.gz OIMUYAOCBXWXLK-DLBZAZTESA-N 1 3 322.497 2.034 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001365323042 1145847102 /nfs/dbraw/zinc/84/71/02/1145847102.db2.gz YWCZZMZQBIQCGI-CVEARBPZSA-N 1 3 324.513 2.375 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C[C@H]1CCN1CC1CCC1)[NH+]1CCCC1 ZINC001365803239 1146014646 /nfs/dbraw/zinc/01/46/46/1146014646.db2.gz KETFVGPEBAZXCV-QZTJIDSGSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(C)c2)C1)N(C)C ZINC001365834558 1146023421 /nfs/dbraw/zinc/02/34/21/1146023421.db2.gz OEVLNEHVDZFVTJ-KZNAEPCWSA-N 1 3 317.477 2.320 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001316642546 1146411381 /nfs/dbraw/zinc/41/13/81/1146411381.db2.gz UPDYYZRXSPAUEE-QAQDUYKDSA-N 1 3 307.482 2.311 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CCCF)C1 ZINC001491964799 1147022822 /nfs/dbraw/zinc/02/28/22/1147022822.db2.gz BNAZOWJFMXRHHC-HOTGVXAUSA-N 1 3 313.461 2.143 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCCF)C1 ZINC001491964799 1147022827 /nfs/dbraw/zinc/02/28/27/1147022827.db2.gz BNAZOWJFMXRHHC-HOTGVXAUSA-N 1 3 313.461 2.143 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccccc1F)C1CC1)N(C)C ZINC001366070524 1147038846 /nfs/dbraw/zinc/03/88/46/1147038846.db2.gz YAPNJKACXAGVCS-IRXDYDNUSA-N 1 3 321.440 2.150 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]2CCC[N@H+](CC3CCCC3)C2)C1 ZINC001366179610 1147096578 /nfs/dbraw/zinc/09/65/78/1147096578.db2.gz MDYVOZBSTRNULO-FUHWJXTLSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]2CCC[N@@H+](CC3CCCC3)C2)C1 ZINC001366179610 1147096583 /nfs/dbraw/zinc/09/65/83/1147096583.db2.gz MDYVOZBSTRNULO-FUHWJXTLSA-N 1 3 321.509 2.347 20 0 DEADHO CCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001366224848 1147129809 /nfs/dbraw/zinc/12/98/09/1147129809.db2.gz HJBISLJGXIEHGP-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001366224848 1147129810 /nfs/dbraw/zinc/12/98/10/1147129810.db2.gz HJBISLJGXIEHGP-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1ccc(C)c(CN(C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001492256812 1147188625 /nfs/dbraw/zinc/18/86/25/1147188625.db2.gz HISIOYSORGRJMG-SJLPKXTDSA-N 1 3 317.477 2.192 20 0 DEADHO Cc1ccc(C)c(CN(C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001492256812 1147188629 /nfs/dbraw/zinc/18/86/29/1147188629.db2.gz HISIOYSORGRJMG-SJLPKXTDSA-N 1 3 317.477 2.192 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001366286361 1147193291 /nfs/dbraw/zinc/19/32/91/1147193291.db2.gz JDLCLEMJZKCEHQ-HOCLYGCPSA-N 1 3 309.498 2.247 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CNC(=O)CN2CC[C@@H](C)C2)cc1C ZINC001366331921 1147219356 /nfs/dbraw/zinc/21/93/56/1147219356.db2.gz IOJWFMZFJACNIN-PBHICJAKSA-N 1 3 317.477 2.240 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)NCc1nccs1 ZINC001366458438 1147293390 /nfs/dbraw/zinc/29/33/90/1147293390.db2.gz CQYUVALIDJDQHC-ZIAGYGMSSA-N 1 3 324.494 2.002 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)NCc1nccs1 ZINC001366458438 1147293396 /nfs/dbraw/zinc/29/33/96/1147293396.db2.gz CQYUVALIDJDQHC-ZIAGYGMSSA-N 1 3 324.494 2.002 20 0 DEADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001366491953 1147309721 /nfs/dbraw/zinc/30/97/21/1147309721.db2.gz ZFFCLTRBRZBLEC-PBHICJAKSA-N 1 3 323.456 2.459 20 0 DEADHO CC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cc(C)ccc1F)N(C)C ZINC001366512483 1147318911 /nfs/dbraw/zinc/31/89/11/1147318911.db2.gz SGLJBTOAVBHYNP-RHSMWYFYSA-N 1 3 323.456 2.459 20 0 DEADHO C[C@@H](c1ccc(Cl)cc1)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001366587800 1147375825 /nfs/dbraw/zinc/37/58/25/1147375825.db2.gz RHGRKFLGRBSXMO-DZGCQCFKSA-N 1 3 323.868 2.401 20 0 DEADHO C[C@@H](c1ccc(Cl)cc1)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001366587800 1147375829 /nfs/dbraw/zinc/37/58/29/1147375829.db2.gz RHGRKFLGRBSXMO-DZGCQCFKSA-N 1 3 323.868 2.401 20 0 DEADHO CN(C)C1(C(=O)NCCC[N@H+](C)CC2CC3(CCC3)C2)CCC1 ZINC001316829270 1147609944 /nfs/dbraw/zinc/60/99/44/1147609944.db2.gz DSPJGOQHZFOGLS-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CN(C)C1(C(=O)NCCC[N@@H+](C)CC2CC3(CCC3)C2)CCC1 ZINC001316829270 1147609946 /nfs/dbraw/zinc/60/99/46/1147609946.db2.gz DSPJGOQHZFOGLS-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@@H](C(=O)NCC1C[NH+](CCCC2CCCC2)C1)N(C)C ZINC001366975178 1147627438 /nfs/dbraw/zinc/62/74/38/1147627438.db2.gz JQNSOBHTIXAWCW-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001316977554 1147642031 /nfs/dbraw/zinc/64/20/31/1147642031.db2.gz JHACERKLSXWHHB-CSLAMCDYSA-N 1 3 307.482 2.406 20 0 DEADHO CC/C=C/CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001316977554 1147642033 /nfs/dbraw/zinc/64/20/33/1147642033.db2.gz JHACERKLSXWHHB-CSLAMCDYSA-N 1 3 307.482 2.406 20 0 DEADHO CC[C@H](CNC(=O)[C@@H](CC)N(C)C)[NH2+]Cc1ccc(F)cc1 ZINC001367098312 1147649521 /nfs/dbraw/zinc/64/95/21/1147649521.db2.gz FBAIGQFVWXGDPH-HZPDHXFCSA-N 1 3 309.429 2.150 20 0 DEADHO CC[C@@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1cc(C)ccc1F ZINC001367136446 1147655052 /nfs/dbraw/zinc/65/50/52/1147655052.db2.gz UUERVMXYCWHLSU-RDJZCZTQSA-N 1 3 323.456 2.459 20 0 DEADHO CC1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]CCC2CC2)CC1 ZINC001317192286 1147673903 /nfs/dbraw/zinc/67/39/03/1147673903.db2.gz KJRLMDGHJCVDHQ-GOSISDBHSA-N 1 3 321.509 2.489 20 0 DEADHO Cc1ccccc1CCC[NH2+]CCN(C)C(=O)[C@@H]1CCCN1C ZINC001317574138 1147727564 /nfs/dbraw/zinc/72/75/64/1147727564.db2.gz VECDQEFTEUAKNU-SFHVURJKSA-N 1 3 317.477 2.070 20 0 DEADHO CC[C@H](C(=O)N(C)CC[NH2+]Cc1ccc(C)c(C)c1)N(C)C ZINC001317598057 1147730914 /nfs/dbraw/zinc/73/09/14/1147730914.db2.gz GCCCUUXMAIPUMX-QGZVFWFLSA-N 1 3 305.466 2.192 20 0 DEADHO C[C@H](C[N@H+](C)CC1CC1)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001367834868 1147756405 /nfs/dbraw/zinc/75/64/05/1147756405.db2.gz OBQTWENNPUAARA-DYVFJYSZSA-N 1 3 313.461 2.045 20 0 DEADHO C[C@H](C[N@@H+](C)CC1CC1)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001367834868 1147756406 /nfs/dbraw/zinc/75/64/06/1147756406.db2.gz OBQTWENNPUAARA-DYVFJYSZSA-N 1 3 313.461 2.045 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(CCCCCF)C2)CC[N@@H+]1C ZINC001317970885 1147763929 /nfs/dbraw/zinc/76/39/29/1147763929.db2.gz OTYZIMTVZMJLPT-OWCLPIDISA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(CCCCCF)C2)CC[N@H+]1C ZINC001317970885 1147763931 /nfs/dbraw/zinc/76/39/31/1147763931.db2.gz OTYZIMTVZMJLPT-OWCLPIDISA-N 1 3 313.461 2.047 20 0 DEADHO CN(CC(=O)NCC1([NH2+]Cc2ccc(F)cc2)CC1)C1CCC1 ZINC001368002321 1147824378 /nfs/dbraw/zinc/82/43/78/1147824378.db2.gz GGJZXVADYLBVQN-UHFFFAOYSA-N 1 3 319.424 2.048 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+][C@H](C)c2cccc(F)c2)CC1)N(C)C ZINC001368029511 1147835191 /nfs/dbraw/zinc/83/51/91/1147835191.db2.gz RCZTWSVVNHDWCL-CJNGLKHVSA-N 1 3 321.440 2.465 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@H]1CC[N@@H+](C(C)C)C1 ZINC001368046504 1147840797 /nfs/dbraw/zinc/84/07/97/1147840797.db2.gz RMLQIEIXGXSQFX-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@H]1CC[N@H+](C(C)C)C1 ZINC001368046504 1147840798 /nfs/dbraw/zinc/84/07/98/1147840798.db2.gz RMLQIEIXGXSQFX-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC2CC2)C1 ZINC001368192793 1148317523 /nfs/dbraw/zinc/31/75/23/1148317523.db2.gz FFHAHKHIMCQEDC-HKUYNNGSSA-N 1 3 321.509 2.488 20 0 DEADHO C[NH+](C)Cc1ccc(CNC(=O)[C@H](CN)c2ccccc2)cc1 ZINC000423730086 230541150 /nfs/dbraw/zinc/54/11/50/230541150.db2.gz NFKVOSKZVCFZKC-GOSISDBHSA-N 1 3 311.429 2.107 20 0 DEADHO CC[C@@H](C)N[C@@H](CNC(=O)N(C)C1CC[NH2+]CC1)c1ccco1 ZINC000418170011 529375612 /nfs/dbraw/zinc/37/56/12/529375612.db2.gz RAEFVBHIKPXANG-HIFRSBDPSA-N 1 3 322.453 2.102 20 0 DEADHO CN(C)[C@@H](CNC(=O)[C@H]1[NH2+]CCCC1(C)C)Cc1ccccc1 ZINC000423313969 282179421 /nfs/dbraw/zinc/17/94/21/282179421.db2.gz XNQYOMRKUHNKDS-IAGOWNOFSA-N 1 3 317.477 2.054 20 0 DEADHO CN(C)[C@H]1CCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455910809 282226505 /nfs/dbraw/zinc/22/65/05/282226505.db2.gz IRIFCJNRSOSULL-DOTOQJQBSA-N 1 3 316.449 2.403 20 0 DEADHO CN(C)[C@H](CNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000416817613 282243744 /nfs/dbraw/zinc/24/37/44/282243744.db2.gz YVQJYZFFFHBNCJ-IXDOHACOSA-N 1 3 318.465 2.106 20 0 DEADHO COc1cc(NCCN[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(OC)c1 ZINC000181604352 199326449 /nfs/dbraw/zinc/32/64/49/199326449.db2.gz MUVMAXOQOKYCLA-UONOGXRCSA-N 1 3 307.438 2.188 20 0 DEADHO COc1cc(NCCN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(OC)c1 ZINC000181604352 199326451 /nfs/dbraw/zinc/32/64/51/199326451.db2.gz MUVMAXOQOKYCLA-UONOGXRCSA-N 1 3 307.438 2.188 20 0 DEADHO C[NH2+]CCNC(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000418196824 529976589 /nfs/dbraw/zinc/97/65/89/529976589.db2.gz SCQMWVLZWOHUMB-QGZVFWFLSA-N 1 3 320.481 2.006 20 0 DEADHO COC[C@H](CNCC(C)(C)C[N@H+](C)Cc1ccccc1)OC ZINC000272679569 210083363 /nfs/dbraw/zinc/08/33/63/210083363.db2.gz MPVFZTPOJLCOGW-KRWDZBQOSA-N 1 3 308.466 2.396 20 0 DEADHO COC[C@H](CNCC(C)(C)C[N@@H+](C)Cc1ccccc1)OC ZINC000272679569 210083366 /nfs/dbraw/zinc/08/33/66/210083366.db2.gz MPVFZTPOJLCOGW-KRWDZBQOSA-N 1 3 308.466 2.396 20 0 DEADHO COCC1CCN([C@H](C)CC[NH+]2CCC(COC)CC2)CC1 ZINC000153484229 539544871 /nfs/dbraw/zinc/54/48/71/539544871.db2.gz PJLLHRZCZNQENG-MRXNPFEDSA-N 1 3 312.498 2.482 20 0 DEADHO CCC[NH+]1CCC(NCCc2cccc(C(=O)NC)c2)CC1 ZINC000157764579 539574083 /nfs/dbraw/zinc/57/40/83/539574083.db2.gz OBQAPWXVQAMXIE-UHFFFAOYSA-N 1 3 303.450 2.053 20 0 DEADHO C[C@H]1CN(CCCC[NH2+][C@@H]2CCCc3c2cnn3C)C[C@H](C)O1 ZINC000178041375 290843688 /nfs/dbraw/zinc/84/36/88/290843688.db2.gz UHXBCDGJNHLVCV-YQQAZPJKSA-N 1 3 320.481 2.277 20 0 DEADHO C[C@@H]1C[C@@H](NCCc2nc3c(cccc3F)n2C)CC[N@@H+]1C ZINC000180863009 539647323 /nfs/dbraw/zinc/64/73/23/539647323.db2.gz AMYYZDNYBQJGBC-OLZOCXBDSA-N 1 3 304.413 2.327 20 0 DEADHO C[C@@H]1C[C@@H](NCCc2nc3c(cccc3F)n2C)CC[N@H+]1C ZINC000180863009 539647326 /nfs/dbraw/zinc/64/73/26/539647326.db2.gz AMYYZDNYBQJGBC-OLZOCXBDSA-N 1 3 304.413 2.327 20 0 DEADHO CCN1CCN(CCCC[NH2+]Cc2cccc(OC)c2F)CC1 ZINC000192666441 539708531 /nfs/dbraw/zinc/70/85/31/539708531.db2.gz LYCDJCGBMWORDU-UHFFFAOYSA-N 1 3 323.456 2.342 20 0 DEADHO C[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(-n2cncn2)cc1 ZINC000152477131 186077257 /nfs/dbraw/zinc/07/72/57/186077257.db2.gz HONZXFJQWBDGCM-HUUCEWRRSA-N 1 3 311.433 2.402 20 0 DEADHO C[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(-n2cncn2)cc1 ZINC000152477131 186077258 /nfs/dbraw/zinc/07/72/58/186077258.db2.gz HONZXFJQWBDGCM-HUUCEWRRSA-N 1 3 311.433 2.402 20 0 DEADHO CCN(CCNC(=O)NC(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063636 366034405 /nfs/dbraw/zinc/03/44/05/366034405.db2.gz LEYKXLIZAIYOHZ-UHFFFAOYSA-N 1 3 320.481 2.278 20 0 DEADHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(OC)cc2)C1 ZINC000072859565 191242599 /nfs/dbraw/zinc/24/25/99/191242599.db2.gz IZFRWAYCVAATFV-OAHLLOKOSA-N 1 3 319.449 2.297 20 0 DEADHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(OC)cc2)C1 ZINC000072859565 191242602 /nfs/dbraw/zinc/24/26/02/191242602.db2.gz IZFRWAYCVAATFV-OAHLLOKOSA-N 1 3 319.449 2.297 20 0 DEADHO CCC(CC)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCOCC1 ZINC000339065414 539986322 /nfs/dbraw/zinc/98/63/22/539986322.db2.gz BLOUNJCAONVUAY-QYZOEREBSA-N 1 3 323.525 2.340 20 0 DEADHO CCC(CC)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CCOCC1 ZINC000339065414 539986328 /nfs/dbraw/zinc/98/63/28/539986328.db2.gz BLOUNJCAONVUAY-QYZOEREBSA-N 1 3 323.525 2.340 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCN(C2CCCC2)CC1 ZINC000339242085 539987458 /nfs/dbraw/zinc/98/74/58/539987458.db2.gz IGRFLVCJYDERMW-MRXNPFEDSA-N 1 3 307.482 2.338 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCN(C2CCCC2)CC1 ZINC000339242085 539987461 /nfs/dbraw/zinc/98/74/61/539987461.db2.gz IGRFLVCJYDERMW-MRXNPFEDSA-N 1 3 307.482 2.338 20 0 DEADHO C[NH+]1CCC(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000174453225 198336644 /nfs/dbraw/zinc/33/66/44/198336644.db2.gz JQCITEPUWTVZMH-GOSISDBHSA-N 1 3 315.461 2.282 20 0 DEADHO CCN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@H]1CCN(CC)C1 ZINC000617925341 363311101 /nfs/dbraw/zinc/31/11/01/363311101.db2.gz JWAJSOFVUONPLB-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000053094613 354423173 /nfs/dbraw/zinc/42/31/73/354423173.db2.gz CTHSDYOMRWQWQY-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](CNCc2ccc(OCCN(C)C)cc2)C1 ZINC000062427228 354634989 /nfs/dbraw/zinc/63/49/89/354634989.db2.gz BUBPTGQFEXOARC-GOSISDBHSA-N 1 3 319.493 2.447 20 0 DEADHO CC(C)[N@H+]1CC[C@H](CNCc2ccc(OCCN(C)C)cc2)C1 ZINC000062427228 354634991 /nfs/dbraw/zinc/63/49/91/354634991.db2.gz BUBPTGQFEXOARC-GOSISDBHSA-N 1 3 319.493 2.447 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](CN)c2ccc(F)cc2)C1 ZINC000358886095 283060782 /nfs/dbraw/zinc/06/07/82/283060782.db2.gz PYLPTBJQSAMHEJ-WMLDXEAASA-N 1 3 321.440 2.058 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](CN)c2ccc(F)cc2)C1 ZINC000358886095 283060784 /nfs/dbraw/zinc/06/07/84/283060784.db2.gz PYLPTBJQSAMHEJ-WMLDXEAASA-N 1 3 321.440 2.058 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000075180965 355072090 /nfs/dbraw/zinc/07/20/90/355072090.db2.gz JKJJAQQEMZBYDX-KRWDZBQOSA-N 1 3 303.450 2.061 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000075180965 355072091 /nfs/dbraw/zinc/07/20/91/355072091.db2.gz JKJJAQQEMZBYDX-KRWDZBQOSA-N 1 3 303.450 2.061 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000078462962 355262968 /nfs/dbraw/zinc/26/29/68/355262968.db2.gz ZILXSBFCKDNPGL-MRXNPFEDSA-N 1 3 324.513 2.425 20 0 DEADHO CC1CC[NH+](CCCNC(=O)c2cccc3c2CCNC3)CC1 ZINC000391465872 540136788 /nfs/dbraw/zinc/13/67/88/540136788.db2.gz GFXWIVHEFUTNQK-UHFFFAOYSA-N 1 3 315.461 2.184 20 0 DEADHO CC1CC[NH+](CCCNC(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000078948055 355287588 /nfs/dbraw/zinc/28/75/88/355287588.db2.gz GOIJTHHQWDBJRS-QGZVFWFLSA-N 1 3 324.513 2.140 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)N2CCCN(C(C)C)CC2)CC1 ZINC000080462309 355365311 /nfs/dbraw/zinc/36/53/11/355365311.db2.gz NADFSTKQWUKQJL-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)/C=C/CN(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000079952703 355338191 /nfs/dbraw/zinc/33/81/91/355338191.db2.gz RDDCBKNEOZRMMK-HQWTUQCVSA-N 1 3 315.461 2.274 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)/C=C/CN(C)C)CC[N@H+]1Cc1ccccc1 ZINC000079952703 355338193 /nfs/dbraw/zinc/33/81/93/355338193.db2.gz RDDCBKNEOZRMMK-HQWTUQCVSA-N 1 3 315.461 2.274 20 0 DEADHO C[C@H]1CN(C)CC[C@@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000089215589 355522037 /nfs/dbraw/zinc/52/20/37/355522037.db2.gz KDXGPXWHMUJFFR-YJBOKZPZSA-N 1 3 302.466 2.228 20 0 DEADHO C[C@@H](CCN(C)[C@@H]1CCCC[C@H]1O)[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426217537 540173112 /nfs/dbraw/zinc/17/31/12/540173112.db2.gz VJGKVAOZXGYOOV-YYWYGQEZSA-N 1 3 312.498 2.236 20 0 DEADHO C[C@@H](CCN(C)[C@@H]1CCCC[C@H]1O)[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426217537 540173116 /nfs/dbraw/zinc/17/31/16/540173116.db2.gz VJGKVAOZXGYOOV-YYWYGQEZSA-N 1 3 312.498 2.236 20 0 DEADHO C[C@@H](CC[N@H+](C)[C@@H]1CCCC[C@H]1O)N(C)[C@@H]1CCCC[C@H]1O ZINC000426217537 540173118 /nfs/dbraw/zinc/17/31/18/540173118.db2.gz VJGKVAOZXGYOOV-YYWYGQEZSA-N 1 3 312.498 2.236 20 0 DEADHO C[C@@H](CC[N@@H+](C)[C@@H]1CCCC[C@H]1O)N(C)[C@@H]1CCCC[C@H]1O ZINC000426217537 540173120 /nfs/dbraw/zinc/17/31/20/540173120.db2.gz VJGKVAOZXGYOOV-YYWYGQEZSA-N 1 3 312.498 2.236 20 0 DEADHO Cc1cccc(C)c1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000119745789 355787888 /nfs/dbraw/zinc/78/78/88/355787888.db2.gz XCUMCOLFMPYGBU-UHFFFAOYSA-N 1 3 306.454 2.261 20 0 DEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C12CCCN1CCC2 ZINC000370526246 283126228 /nfs/dbraw/zinc/12/62/28/283126228.db2.gz CJVSYZAMSKVKSJ-OWCLPIDISA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C12CCCN1CCC2 ZINC000370526246 283126231 /nfs/dbraw/zinc/12/62/31/283126231.db2.gz CJVSYZAMSKVKSJ-OWCLPIDISA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000150287892 355921836 /nfs/dbraw/zinc/92/18/36/355921836.db2.gz FZGZSSNUIMACAS-HNNXBMFYSA-N 1 3 323.506 2.417 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000150287892 355921839 /nfs/dbraw/zinc/92/18/39/355921839.db2.gz FZGZSSNUIMACAS-HNNXBMFYSA-N 1 3 323.506 2.417 20 0 DEADHO CC(C)(N)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000370763289 283131188 /nfs/dbraw/zinc/13/11/88/283131188.db2.gz IFNLCPYUPWUVOI-LJQANCHMSA-N 1 3 315.461 2.238 20 0 DEADHO CC(C)(N)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000370763289 283131192 /nfs/dbraw/zinc/13/11/92/283131192.db2.gz IFNLCPYUPWUVOI-LJQANCHMSA-N 1 3 315.461 2.238 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000181744391 356093679 /nfs/dbraw/zinc/09/36/79/356093679.db2.gz NEILVTOELHUEJF-SJORKVTESA-N 1 3 324.513 2.425 20 0 DEADHO CCS(=O)(=O)C[C@H](C)[NH2+]CC1CCN(CCC(C)C)CC1 ZINC000183086358 356159933 /nfs/dbraw/zinc/15/99/33/356159933.db2.gz RREAHSMZLZDGLA-HNNXBMFYSA-N 1 3 318.527 2.157 20 0 DEADHO CC(C)Cn1cc(CN(C)CC2CC[NH+](C[C@@H](C)O)CC2)cn1 ZINC000183278683 356166501 /nfs/dbraw/zinc/16/65/01/356166501.db2.gz UPJJSKMEOYVLAF-MRXNPFEDSA-N 1 3 322.497 2.064 20 0 DEADHO C[C@H](CCNC(=O)N(C)C[C@@H]1CCCN(C)C1)[NH+]1CCCCC1 ZINC000182689651 356139809 /nfs/dbraw/zinc/13/98/09/356139809.db2.gz JJWWHWSEOSHTAD-IAGOWNOFSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H](CCNC(=O)NCCN1CCC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000184834453 356197697 /nfs/dbraw/zinc/19/76/97/356197697.db2.gz GIUMHNFNKVCGDE-IAGOWNOFSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000517019233 540226917 /nfs/dbraw/zinc/22/69/17/540226917.db2.gz HXDVKKKJVKYIDW-JFIYKMOQSA-N 1 3 322.497 2.034 20 0 DEADHO CC(C)[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[C@@H](C)[NH3+] ZINC000399366589 283151847 /nfs/dbraw/zinc/15/18/47/283151847.db2.gz JICLCWWYRSHLJW-CRAIPNDOSA-N 1 3 317.477 2.387 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)[C@@H](N)c2ccccc2)C1 ZINC000316262218 356428547 /nfs/dbraw/zinc/42/85/47/356428547.db2.gz FVLDLNNBLQHKFK-ZMSDIMECSA-N 1 3 303.450 2.169 20 0 DEADHO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H](C)[C@@H](N)c2ccccc2)C1 ZINC000316262218 356428551 /nfs/dbraw/zinc/42/85/51/356428551.db2.gz FVLDLNNBLQHKFK-ZMSDIMECSA-N 1 3 303.450 2.169 20 0 DEADHO Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000320940087 356448014 /nfs/dbraw/zinc/44/80/14/356448014.db2.gz GXFCVMQLCLFWKC-SJLPKXTDSA-N 1 3 318.461 2.117 20 0 DEADHO Cc1cc(C)cc(OC[C@H](O)CNC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000320940087 356448015 /nfs/dbraw/zinc/44/80/15/356448015.db2.gz GXFCVMQLCLFWKC-SJLPKXTDSA-N 1 3 318.461 2.117 20 0 DEADHO Cc1cc(C)cc(OC[C@H](O)CNC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000320940087 356448016 /nfs/dbraw/zinc/44/80/16/356448016.db2.gz GXFCVMQLCLFWKC-SJLPKXTDSA-N 1 3 318.461 2.117 20 0 DEADHO CC[NH+](CC)CCOc1cc(NC(=O)C(C)(C)N)ccc1OC ZINC000236869687 202044176 /nfs/dbraw/zinc/04/41/76/202044176.db2.gz ZGVGGGPWDCHXMX-UHFFFAOYSA-N 1 3 323.437 2.092 20 0 DEADHO CCC[C@@H](N)C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000236898348 202059406 /nfs/dbraw/zinc/05/94/06/202059406.db2.gz RZKUXDOKOWYSAU-ZWKOTPCHSA-N 1 3 317.477 2.484 20 0 DEADHO CCC[C@@H](N)C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000236898348 202059407 /nfs/dbraw/zinc/05/94/07/202059407.db2.gz RZKUXDOKOWYSAU-ZWKOTPCHSA-N 1 3 317.477 2.484 20 0 DEADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CCCCN2)c1 ZINC000236923846 202073725 /nfs/dbraw/zinc/07/37/25/202073725.db2.gz CEUHLNZARJGULT-QGZVFWFLSA-N 1 3 303.450 2.287 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000236992202 202112288 /nfs/dbraw/zinc/11/22/88/202112288.db2.gz LYODFYVQFZUEJI-SZMVWBNQSA-N 1 3 317.477 2.340 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000236992202 202112293 /nfs/dbraw/zinc/11/22/93/202112293.db2.gz LYODFYVQFZUEJI-SZMVWBNQSA-N 1 3 317.477 2.340 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000382723031 356677898 /nfs/dbraw/zinc/67/78/98/356677898.db2.gz OXHQOKIWRUKNOT-WMZOPIPTSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@@H](C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)[C@H](C)[NH3+] ZINC000382755248 356677991 /nfs/dbraw/zinc/67/79/91/356677991.db2.gz GWPJPHCIOJYTAK-OAGGEKHMSA-N 1 3 303.450 2.093 20 0 DEADHO N[C@H](CC(F)F)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423787814 283203826 /nfs/dbraw/zinc/20/38/26/283203826.db2.gz CSOOLWLTRIDEQF-CQSZACIVSA-N 1 3 317.424 2.084 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CC3(C)C)CC2)CC1 ZINC000578785540 356873284 /nfs/dbraw/zinc/87/32/84/356873284.db2.gz MOCRGASGSNDDMM-MRXNPFEDSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)NCC2([NH3+])CCCCC2)C[C@@H](C)C1 ZINC000578744133 356865921 /nfs/dbraw/zinc/86/59/21/356865921.db2.gz IZTAUSRGRBZYRQ-XHSDSOJGSA-N 1 3 322.497 2.020 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)NCC1([NH3+])CCCCC1 ZINC000579376132 356967266 /nfs/dbraw/zinc/96/72/66/356967266.db2.gz ZWOZCCCAECPXMA-OAHLLOKOSA-N 1 3 310.486 2.068 20 0 DEADHO CN(C[C@@H](O)CNc1cccc(CC[N@H+](C)C2CC2)c1)C1CC1 ZINC000579944546 357055022 /nfs/dbraw/zinc/05/50/22/357055022.db2.gz ZBXSQKPJSHYMCA-IBGZPJMESA-N 1 3 317.477 2.190 20 0 DEADHO CN(C[C@@H](O)CNc1cccc(CC[N@@H+](C)C2CC2)c1)C1CC1 ZINC000579944546 357055026 /nfs/dbraw/zinc/05/50/26/357055026.db2.gz ZBXSQKPJSHYMCA-IBGZPJMESA-N 1 3 317.477 2.190 20 0 DEADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1ccc2c(c1)OCC(=O)N2 ZINC000581489509 357196424 /nfs/dbraw/zinc/19/64/24/357196424.db2.gz BOJXOXQQRYOQRI-LBPRGKRZSA-N 1 3 311.385 2.327 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000418803081 283246408 /nfs/dbraw/zinc/24/64/08/283246408.db2.gz YOOBMHGDRYONMF-HOTGVXAUSA-N 1 3 310.486 2.021 20 0 DEADHO CSC1(C[NH2+]Cc2cnc3ccccn23)CCN(C)CC1 ZINC000589326101 357464492 /nfs/dbraw/zinc/46/44/92/357464492.db2.gz RUOPVJSAAJLFNF-UHFFFAOYSA-N 1 3 304.463 2.251 20 0 DEADHO CSC1(CNCc2cnc3ccccn23)CC[NH+](C)CC1 ZINC000589326101 357464495 /nfs/dbraw/zinc/46/44/95/357464495.db2.gz RUOPVJSAAJLFNF-UHFFFAOYSA-N 1 3 304.463 2.251 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)C2([NH3+])CC3(CCC3)C2)N(C)C)cc1 ZINC000662689819 540333829 /nfs/dbraw/zinc/33/38/29/540333829.db2.gz IWIDCAUTLIBKSO-MRXNPFEDSA-N 1 3 315.461 2.376 20 0 DEADHO CCN(CC[NH3+])C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000626978196 366388434 /nfs/dbraw/zinc/38/84/34/366388434.db2.gz AERSWHUIBJDDHB-KRWDZBQOSA-N 1 3 318.465 2.204 20 0 DEADHO C[C@@H](NC(=O)Nc1ccc2c(c1)CNC2)C1CC[NH+](C)CC1 ZINC000667854205 540540194 /nfs/dbraw/zinc/54/01/94/540540194.db2.gz LBTOSSLZOGDUKW-GFCCVEGCSA-N 1 3 302.422 2.142 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000186873556 200025447 /nfs/dbraw/zinc/02/54/47/200025447.db2.gz GYZFEPCWWITBGQ-RHSMWYFYSA-N 1 3 301.434 2.010 20 0 DEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000667934026 540552009 /nfs/dbraw/zinc/55/20/09/540552009.db2.gz ZXJONUBCUZVBFN-SQNIBIBYSA-N 1 3 315.461 2.256 20 0 DEADHO CN1CCC[C@@H](NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000668330421 540649536 /nfs/dbraw/zinc/64/95/36/540649536.db2.gz RKVGLHONRACLDG-QZTJIDSGSA-N 1 3 315.461 2.076 20 0 DEADHO CCN(CCC[NH+](C)C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000188444042 200247012 /nfs/dbraw/zinc/24/70/12/200247012.db2.gz TUZUIZAZLOLXHJ-KRWDZBQOSA-N 1 3 320.481 2.273 20 0 DEADHO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000668490065 540672480 /nfs/dbraw/zinc/67/24/80/540672480.db2.gz QCRMYGGMAOTNFV-KBRIMQKVSA-N 1 3 306.475 2.094 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@H](C)N2CCCC[C@H]2C)C1 ZINC000601244313 359980026 /nfs/dbraw/zinc/98/00/26/359980026.db2.gz NIZJRPUQECFMCF-IXDOHACOSA-N 1 3 324.513 2.421 20 0 DEADHO CC[C@@H]1CN(C(=O)NCC(C)(C)N2CCCCC2)CC[C@H]1[NH3+] ZINC000668634156 540701361 /nfs/dbraw/zinc/70/13/61/540701361.db2.gz RCDPNBDTWICCAB-HUUCEWRRSA-N 1 3 310.486 2.020 20 0 DEADHO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000439838061 296017121 /nfs/dbraw/zinc/01/71/21/296017121.db2.gz AZXGFQCBXRPTOZ-MSOLQXFVSA-N 1 3 319.493 2.480 20 0 DEADHO O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000439838061 296017123 /nfs/dbraw/zinc/01/71/23/296017123.db2.gz AZXGFQCBXRPTOZ-MSOLQXFVSA-N 1 3 319.493 2.480 20 0 DEADHO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC[C@@H](CC[NH3+])C1 ZINC000443061985 238100703 /nfs/dbraw/zinc/10/07/03/238100703.db2.gz SWUCLTVSBOGIHP-IRXDYDNUSA-N 1 3 317.477 2.403 20 0 DEADHO C[C@@H](NC(=O)N1CC[C@@H](N2CCCCC2)C1)C(C)(C)C[NH+](C)C ZINC000443223244 238109769 /nfs/dbraw/zinc/10/97/69/238109769.db2.gz GETPCNGYVKUVLV-HZPDHXFCSA-N 1 3 324.513 2.233 20 0 DEADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCCC[NH2+]2)N(C)C)cc1 ZINC000669418971 540829394 /nfs/dbraw/zinc/82/93/94/540829394.db2.gz OYCHLNNSGOEYTB-IRXDYDNUSA-N 1 3 318.465 2.039 20 0 DEADHO [NH3+]C/C=C/CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669483786 540841996 /nfs/dbraw/zinc/84/19/96/540841996.db2.gz MYQHNGKZPRNZTG-FUTAKVPZSA-N 1 3 316.449 2.028 20 0 DEADHO COc1cccc2c1OC[C@H](N[C@@H]1CC[N@H+](C)[C@H]3CCC[C@H]31)C2 ZINC000671745843 541006805 /nfs/dbraw/zinc/00/68/05/541006805.db2.gz MJBYKYDPABYWNT-TWMKSMIVSA-N 1 3 316.445 2.461 20 0 DEADHO COc1cccc2c1OC[C@H](N[C@@H]1CC[N@@H+](C)[C@H]3CCC[C@H]31)C2 ZINC000671745843 541006807 /nfs/dbraw/zinc/00/68/07/541006807.db2.gz MJBYKYDPABYWNT-TWMKSMIVSA-N 1 3 316.445 2.461 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H](C)C1CC1 ZINC000608653398 361245785 /nfs/dbraw/zinc/24/57/85/361245785.db2.gz YUNWEQKVFAIRQX-DOTOQJQBSA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H](C)C1CC1 ZINC000608653398 361245786 /nfs/dbraw/zinc/24/57/86/361245786.db2.gz YUNWEQKVFAIRQX-DOTOQJQBSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H]([NH3+])CCC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000193305059 201026391 /nfs/dbraw/zinc/02/63/91/201026391.db2.gz NAZKQXMCVIAXEI-UONOGXRCSA-N 1 3 309.479 2.204 20 0 DEADHO CN1CCC(N2CC[C@H]([N@H+](C)C[C@@]3(C)CCCS3)C2)CC1 ZINC000628278875 366790750 /nfs/dbraw/zinc/79/07/50/366790750.db2.gz LHPRTGPMKDDTFJ-DLBZAZTESA-N 1 3 311.539 2.372 20 0 DEADHO CN1CCC(N2CC[C@H]([N@@H+](C)C[C@@]3(C)CCCS3)C2)CC1 ZINC000628278875 366790752 /nfs/dbraw/zinc/79/07/52/366790752.db2.gz LHPRTGPMKDDTFJ-DLBZAZTESA-N 1 3 311.539 2.372 20 0 DEADHO CCCN1CCC[C@H]1CNC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000673177820 541092844 /nfs/dbraw/zinc/09/28/44/541092844.db2.gz XVWUDUPNAQKVFG-CVEARBPZSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H](NCCOCC[NH+](C)C)c1cnn(Cc2ccccc2)c1 ZINC000447602177 239041179 /nfs/dbraw/zinc/04/11/79/239041179.db2.gz SVZVWGATEJZOKP-MRXNPFEDSA-N 1 3 316.449 2.160 20 0 DEADHO O=C(N[C@H]1CCN(CC2CC2)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000673962850 541167373 /nfs/dbraw/zinc/16/73/73/541167373.db2.gz NEIVKBKMHXJSKM-IRXDYDNUSA-N 1 3 319.493 2.242 20 0 DEADHO O=C(N[C@H]1CCN(CC2CC2)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000673962850 541167374 /nfs/dbraw/zinc/16/73/74/541167374.db2.gz NEIVKBKMHXJSKM-IRXDYDNUSA-N 1 3 319.493 2.242 20 0 DEADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000195131670 201344748 /nfs/dbraw/zinc/34/47/48/201344748.db2.gz FOJQVPVHXZMSIT-KBPBESRZSA-N 1 3 307.463 2.001 20 0 DEADHO CCCN1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000619904559 363902710 /nfs/dbraw/zinc/90/27/10/363902710.db2.gz NRHNTVRWNGRLST-QZTJIDSGSA-N 1 3 315.461 2.109 20 0 DEADHO CCCN1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000619904559 363902714 /nfs/dbraw/zinc/90/27/14/363902714.db2.gz NRHNTVRWNGRLST-QZTJIDSGSA-N 1 3 315.461 2.109 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000675199968 541302465 /nfs/dbraw/zinc/30/24/65/541302465.db2.gz ORCLTUKHZUGMQG-DLBZAZTESA-N 1 3 324.513 2.138 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000675199968 541302469 /nfs/dbraw/zinc/30/24/69/541302469.db2.gz ORCLTUKHZUGMQG-DLBZAZTESA-N 1 3 324.513 2.138 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@]3(C)CC3(C)C)CC2)CC1 ZINC000620076651 363949642 /nfs/dbraw/zinc/94/96/42/363949642.db2.gz VAUJPSRVFUCAIO-IBGZPJMESA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CCN1 ZINC000621151123 364280089 /nfs/dbraw/zinc/28/00/89/364280089.db2.gz UCPHTQAFNCYWHB-SFHVURJKSA-N 1 3 315.461 2.352 20 0 DEADHO C[C@H]([NH2+]CC12CC(C1)CO2)c1cccc(OCCN(C)C)c1 ZINC000527981884 283771586 /nfs/dbraw/zinc/77/15/86/283771586.db2.gz SGVLWXSYHLSARR-SYJJWHGVSA-N 1 3 304.434 2.457 20 0 DEADHO Cc1ccccc1CN1CCCN(C(=O)CC[NH2+]C(C)C)CC1 ZINC000621502341 364429269 /nfs/dbraw/zinc/42/92/69/364429269.db2.gz FYPLPBCFNGOSHR-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621655332 364490785 /nfs/dbraw/zinc/49/07/85/364490785.db2.gz KIPSESWJZGXRHC-OAHLLOKOSA-N 1 3 323.506 2.418 20 0 DEADHO C[C@@H]1CCN(C(=O)Nc2cccc(CN(C)C)c2)C[C@H]1C[NH3+] ZINC000623069704 364873797 /nfs/dbraw/zinc/87/37/97/364873797.db2.gz MXDFLAHDWCTENS-UKRRQHHQSA-N 1 3 304.438 2.197 20 0 DEADHO CN(C)CCN(C)CCC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000623087911 364881705 /nfs/dbraw/zinc/88/17/05/364881705.db2.gz OCOQEOBPVPGKRT-UHFFFAOYSA-N 1 3 318.509 2.129 20 0 DEADHO OC[C@@H]1CCC[N@@H+]1CCCCNCc1ccnn1C1CCCC1 ZINC000449152116 240123255 /nfs/dbraw/zinc/12/32/55/240123255.db2.gz ZTMAACSNTRJVME-SFHVURJKSA-N 1 3 320.481 2.325 20 0 DEADHO OC[C@@H]1CCC[N@H+]1CCCCNCc1ccnn1C1CCCC1 ZINC000449152116 240123265 /nfs/dbraw/zinc/12/32/65/240123265.db2.gz ZTMAACSNTRJVME-SFHVURJKSA-N 1 3 320.481 2.325 20 0 DEADHO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000449326996 240374175 /nfs/dbraw/zinc/37/41/75/240374175.db2.gz AXKXBMAENZDQFO-IXDOHACOSA-N 1 3 307.482 2.371 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000449330566 240386630 /nfs/dbraw/zinc/38/66/30/240386630.db2.gz UVSAPDKJZDPHTF-CVEARBPZSA-N 1 3 309.498 2.474 20 0 DEADHO C[N@@H+]1CC[C@H](N[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1(C)C ZINC000623521649 365061349 /nfs/dbraw/zinc/06/13/49/365061349.db2.gz ACRJDGFGFGWNGD-JKSUJKDBSA-N 1 3 322.497 2.129 20 0 DEADHO C[N@H+]1CC[C@H](N[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1(C)C ZINC000623521649 365061356 /nfs/dbraw/zinc/06/13/56/365061356.db2.gz ACRJDGFGFGWNGD-JKSUJKDBSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(-n2cnnn2)cc1 ZINC000624121472 365296248 /nfs/dbraw/zinc/29/62/48/365296248.db2.gz XJQYGCMUYJMJMB-GJZGRUSLSA-N 1 3 314.437 2.045 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000676542505 541468875 /nfs/dbraw/zinc/46/88/75/541468875.db2.gz NFSPYUIQKDAEAR-BBWFWOEESA-N 1 3 324.513 2.233 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000676542505 541468879 /nfs/dbraw/zinc/46/88/79/541468879.db2.gz NFSPYUIQKDAEAR-BBWFWOEESA-N 1 3 324.513 2.233 20 0 DEADHO CC[C@@H](CN1CCCC1)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000676753920 541496532 /nfs/dbraw/zinc/49/65/32/541496532.db2.gz VGFZXROXEICREG-CGZBRXJRSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H]1CCCN1CC(F)F ZINC000629520267 367232003 /nfs/dbraw/zinc/23/20/03/367232003.db2.gz VJZWOHCHSZBEOF-NUEKZKHPSA-N 1 3 311.420 2.264 20 0 DEADHO c1c(CN[C@@H]2CC[C@@H](c3ccccc3)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC000629550104 367244540 /nfs/dbraw/zinc/24/45/40/367244540.db2.gz MFVHEXCMSFJINO-JFIYKMOQSA-N 1 3 311.433 2.238 20 0 DEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC[C@@H](O)COCc1ccccc1 ZINC000629555495 367247883 /nfs/dbraw/zinc/24/78/83/367247883.db2.gz VMKOAJWYUZQRNB-KURKYZTESA-N 1 3 306.450 2.061 20 0 DEADHO O[C@H](C[NH2+]C[C@@H]1SCCc2ccccc21)CN1CCCC1 ZINC000629564501 367254913 /nfs/dbraw/zinc/25/49/13/367254913.db2.gz LOCAQDQCFJCUOX-WBVHZDCISA-N 1 3 306.475 2.063 20 0 DEADHO O[C@@H](CNCCN1CCC2(CCCCC2)CC1)C[NH+]1CCCC1 ZINC000629577890 367258248 /nfs/dbraw/zinc/25/82/48/367258248.db2.gz KQAPNLAQUGOCFG-SFHVURJKSA-N 1 3 323.525 2.079 20 0 DEADHO C[C@@H](c1ccc(Br)cc1)N(C)CCOCC[NH3+] ZINC000629578771 367259132 /nfs/dbraw/zinc/25/91/32/367259132.db2.gz MLCDRIVLQVRHSH-NSHDSACASA-N 1 3 301.228 2.417 20 0 DEADHO FC(F)[C@H]1CCN(CCOCC[N@@H+]2CC[C@H](C(F)F)C2)C1 ZINC000677735428 541623083 /nfs/dbraw/zinc/62/30/83/541623083.db2.gz ZSFCNMHBTCHTET-RYUDHWBXSA-N 1 3 312.351 2.177 20 0 DEADHO FC(F)[C@H]1CCN(CCOCC[N@H+]2CC[C@H](C(F)F)C2)C1 ZINC000677735428 541623086 /nfs/dbraw/zinc/62/30/86/541623086.db2.gz ZSFCNMHBTCHTET-RYUDHWBXSA-N 1 3 312.351 2.177 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCCCN(C)Cc2ccccc2)CC[N@@H+]1C ZINC000630579075 367737611 /nfs/dbraw/zinc/73/76/11/367737611.db2.gz XYFLAKYHAAKVNR-ZWKOTPCHSA-N 1 3 317.477 2.355 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCCCN(C)Cc2ccccc2)CC[N@H+]1C ZINC000630579075 367737618 /nfs/dbraw/zinc/73/76/18/367737618.db2.gz XYFLAKYHAAKVNR-ZWKOTPCHSA-N 1 3 317.477 2.355 20 0 DEADHO COc1cccc2c1OCCC[C@@H]2NCCOCC[NH+](C)C ZINC000631622138 368314494 /nfs/dbraw/zinc/31/44/94/368314494.db2.gz UGRUIPXIOJXMJF-HNNXBMFYSA-N 1 3 308.422 2.077 20 0 DEADHO C[C@@H]([NH2+]C[C@H](CO)C1CC1)c1cccc(OCCN(C)C)c1 ZINC000353489900 296131686 /nfs/dbraw/zinc/13/16/86/296131686.db2.gz QESVALDFMBXWCF-RHSMWYFYSA-N 1 3 306.450 2.296 20 0 DEADHO CC(C)[NH+]1CCC(N(C)C(=O)C[C@H](N)c2ccccc2)CC1 ZINC000261766612 203111745 /nfs/dbraw/zinc/11/17/45/203111745.db2.gz VLSHBKIFJVRFLJ-KRWDZBQOSA-N 1 3 303.450 2.408 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(C)nc2C)CC1 ZINC000678412221 541725842 /nfs/dbraw/zinc/72/58/42/541725842.db2.gz TXDZIWVYNYNFDG-HOTGVXAUSA-N 1 3 304.482 2.375 20 0 DEADHO O=C(CC[C@@H]1CC[NH2+]C1)NC[C@H](c1cccs1)N1CCCC1 ZINC000261820080 203125261 /nfs/dbraw/zinc/12/52/61/203125261.db2.gz HZVOYKTUNFPBJM-HUUCEWRRSA-N 1 3 321.490 2.391 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)CC[C@@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000261882107 203143230 /nfs/dbraw/zinc/14/32/30/203143230.db2.gz UGWZUYINBNKBTL-SJLPKXTDSA-N 1 3 317.477 2.358 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000262323335 203260994 /nfs/dbraw/zinc/26/09/94/203260994.db2.gz DBTVTZWLAYNKGV-SZMVWBNQSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N[C@H](CN)c2ccc3ccccc3c2)CC[NH2+]1 ZINC000262332560 203264540 /nfs/dbraw/zinc/26/45/40/203264540.db2.gz FPAUOMXZBRUECU-DOPJRALCSA-N 1 3 311.429 2.344 20 0 DEADHO C[C@H]([NH2+]C1(CNC(=O)C2(N)CC2)CCCC1)c1ccccc1 ZINC000262704403 203387471 /nfs/dbraw/zinc/38/74/71/203387471.db2.gz LHOHXAQXIIFBOY-AWEZNQCLSA-N 1 3 301.434 2.258 20 0 DEADHO CC[NH+](CC)CCOc1ccccc1NC(=O)/C=C/CN(C)C ZINC000264666573 204064699 /nfs/dbraw/zinc/06/46/99/204064699.db2.gz XHJRAYKBXSALPP-FMIVXFBMSA-N 1 3 319.449 2.464 20 0 DEADHO CCCN1CCC([N@H+](C)C[C@H](O)COc2ccccc2)CC1 ZINC000264722588 204102114 /nfs/dbraw/zinc/10/21/14/204102114.db2.gz PKXYJVKBARHTKU-KRWDZBQOSA-N 1 3 306.450 2.233 20 0 DEADHO CCCN1CCC([N@@H+](C)C[C@H](O)COc2ccccc2)CC1 ZINC000264722588 204102117 /nfs/dbraw/zinc/10/21/17/204102117.db2.gz PKXYJVKBARHTKU-KRWDZBQOSA-N 1 3 306.450 2.233 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)CCN(C)c1ccncc1 ZINC000679405720 541852389 /nfs/dbraw/zinc/85/23/89/541852389.db2.gz FHYYJGYXRVGXAQ-INIZCTEOSA-N 1 3 318.465 2.289 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)CCN(C)c1ccncc1 ZINC000679405720 541852395 /nfs/dbraw/zinc/85/23/95/541852395.db2.gz FHYYJGYXRVGXAQ-INIZCTEOSA-N 1 3 318.465 2.289 20 0 DEADHO CCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274894750 212017272 /nfs/dbraw/zinc/01/72/72/212017272.db2.gz KBVNEJHLBQCUES-YQQAZPJKSA-N 1 3 303.450 2.011 20 0 DEADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000295042006 284328902 /nfs/dbraw/zinc/32/89/02/284328902.db2.gz OVICYZGCLACXBY-KCXAZCMYSA-N 1 3 315.417 2.028 20 0 DEADHO CCCN(C)CC(=O)N(C)C1CCC([NH2+]CC[C@H](C)F)CC1 ZINC001368899151 1148755907 /nfs/dbraw/zinc/75/59/07/1148755907.db2.gz LNIZUEKYNZWHRL-FHERZECASA-N 1 3 315.477 2.436 20 0 DEADHO Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N ZINC000530223328 284377744 /nfs/dbraw/zinc/37/77/44/284377744.db2.gz UAYMCUXGGJQEDZ-ZTFRIQLXSA-N 1 3 319.424 2.500 20 0 DEADHO COc1cccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530243266 284384051 /nfs/dbraw/zinc/38/40/51/284384051.db2.gz WFQCQJHHHDJSKX-SFHVURJKSA-N 1 3 304.434 2.286 20 0 DEADHO CCCCNc1cc(C)nc(N[C@H](C)[C@H]2C[N@H+](C)CCN2C)n1 ZINC001354267192 1151881096 /nfs/dbraw/zinc/88/10/96/1151881096.db2.gz WQHHQABSFAYMEE-HUUCEWRRSA-N 1 3 320.485 2.043 20 0 DEADHO CCCCNc1cc(C)nc(N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)n1 ZINC001354267192 1151881097 /nfs/dbraw/zinc/88/10/97/1151881097.db2.gz WQHHQABSFAYMEE-HUUCEWRRSA-N 1 3 320.485 2.043 20 0 DEADHO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000681081942 542094003 /nfs/dbraw/zinc/09/40/03/542094003.db2.gz JAVGUUQBMYQHHA-NVXWUHKLSA-N 1 3 306.450 2.220 20 0 DEADHO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000681081942 542094004 /nfs/dbraw/zinc/09/40/04/542094004.db2.gz JAVGUUQBMYQHHA-NVXWUHKLSA-N 1 3 306.450 2.220 20 0 DEADHO Cc1cc(NC(=O)[C@H](C(C)C)N(C)C)ccc1OCC[NH+](C)C ZINC000458195834 248197733 /nfs/dbraw/zinc/19/77/33/248197733.db2.gz MFMOGOUQQCQECP-KRWDZBQOSA-N 1 3 321.465 2.460 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H](CN)c2ccc(F)cc2)C1 ZINC000358853889 284694320 /nfs/dbraw/zinc/69/43/20/284694320.db2.gz JEDGCEWXLQHOQP-WMLDXEAASA-N 1 3 321.440 2.058 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000237682920 296312864 /nfs/dbraw/zinc/31/28/64/296312864.db2.gz KLBRRPFAYMILIU-IKGGRYGDSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000237682920 296312865 /nfs/dbraw/zinc/31/28/65/296312865.db2.gz KLBRRPFAYMILIU-IKGGRYGDSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H](CNC(=O)c1cccc(CN2CCCC2)c1)[N@H+](C)C1CC1 ZINC000057703397 184047685 /nfs/dbraw/zinc/04/76/85/184047685.db2.gz NMNUSRKGBYCYCH-OAHLLOKOSA-N 1 3 315.461 2.495 20 0 DEADHO C[C@H](CNC(=O)c1cccc(CN2CCCC2)c1)[N@@H+](C)C1CC1 ZINC000057703397 184047686 /nfs/dbraw/zinc/04/76/86/184047686.db2.gz NMNUSRKGBYCYCH-OAHLLOKOSA-N 1 3 315.461 2.495 20 0 DEADHO CCN(CC)CC(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000063768870 184287811 /nfs/dbraw/zinc/28/78/11/184287811.db2.gz SNKKCCPMPNUONX-UHFFFAOYSA-N 1 3 305.466 2.486 20 0 DEADHO COc1cc(OC)c(OC)cc1CNCC1CC[NH+](C)CC1 ZINC000065996763 184384097 /nfs/dbraw/zinc/38/40/97/184384097.db2.gz VPPDPDZHUOBTSB-UHFFFAOYSA-N 1 3 308.422 2.144 20 0 DEADHO CC(C)[C@H](N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000269253321 207391016 /nfs/dbraw/zinc/39/10/16/207391016.db2.gz IOEQHLAWGAFGSL-PBHICJAKSA-N 1 3 319.449 2.329 20 0 DEADHO CC(C)[C@H](N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000269253321 207391021 /nfs/dbraw/zinc/39/10/21/207391021.db2.gz IOEQHLAWGAFGSL-PBHICJAKSA-N 1 3 319.449 2.329 20 0 DEADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](N)C(C)C ZINC000269253150 207391714 /nfs/dbraw/zinc/39/17/14/207391714.db2.gz IEHZHGQRUMZHKP-QZTJIDSGSA-N 1 3 317.477 2.340 20 0 DEADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](N)C(C)C ZINC000269253150 207391722 /nfs/dbraw/zinc/39/17/22/207391722.db2.gz IEHZHGQRUMZHKP-QZTJIDSGSA-N 1 3 317.477 2.340 20 0 DEADHO COC[C@H](CCC[NH3+])N[C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000423017219 533020277 /nfs/dbraw/zinc/02/02/77/533020277.db2.gz VYYIPZPKLHJSLP-QAPCUYQASA-N 1 3 316.449 2.336 20 0 DEADHO CN(c1ccccc1CN1CCC[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000271033496 208570271 /nfs/dbraw/zinc/57/02/71/208570271.db2.gz ZXVSBHKHILNDBT-SFHVURJKSA-N 1 3 317.477 2.174 20 0 DEADHO C[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(OCCN(C)C)cc1 ZINC000158139864 197246241 /nfs/dbraw/zinc/24/62/41/197246241.db2.gz TUOIZLHKRJJJAC-PBHICJAKSA-N 1 3 324.490 2.146 20 0 DEADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H](N)CCSC ZINC000157278922 197176267 /nfs/dbraw/zinc/17/62/67/197176267.db2.gz VIYNUKHEQUABLU-MRXNPFEDSA-N 1 3 323.506 2.177 20 0 DEADHO CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000541720714 285181970 /nfs/dbraw/zinc/18/19/70/285181970.db2.gz TXCLEKOFMHTCGD-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000541720714 285181973 /nfs/dbraw/zinc/18/19/73/285181973.db2.gz TXCLEKOFMHTCGD-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO CC(=O)N1CC[C@H](NC[C@@H]2CCC[N@@H+](C)C2)c2ccccc2C1 ZINC000541844478 285188191 /nfs/dbraw/zinc/18/81/91/285188191.db2.gz IWKLTDBJHJXHOD-LPHOPBHVSA-N 1 3 315.461 2.411 20 0 DEADHO CC(=O)N1CC[C@H](NC[C@@H]2CCC[N@H+](C)C2)c2ccccc2C1 ZINC000541844478 285188196 /nfs/dbraw/zinc/18/81/96/285188196.db2.gz IWKLTDBJHJXHOD-LPHOPBHVSA-N 1 3 315.461 2.411 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)CCN(C)c2ccncc2)CC1 ZINC000541855477 285189854 /nfs/dbraw/zinc/18/98/54/285189854.db2.gz BIZYFBGVPMWMEP-UHFFFAOYSA-N 1 3 318.465 2.289 20 0 DEADHO COCCOCc1ccc(CN[C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000423138384 533144529 /nfs/dbraw/zinc/14/45/29/533144529.db2.gz JEEJOZZNXAQQIS-MAUKXSAKSA-N 1 3 306.450 2.327 20 0 DEADHO COc1cc2nccc(NC[C@@H](C)C[NH+](C)C)c2cc1OC ZINC000413304173 533146376 /nfs/dbraw/zinc/14/63/76/533146376.db2.gz PGTZNYNNJAIERJ-GFCCVEGCSA-N 1 3 303.406 2.284 20 0 DEADHO CN(CCC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccncc1 ZINC000542784191 285250324 /nfs/dbraw/zinc/25/03/24/285250324.db2.gz PHSUNKYIKYIOMY-HNNXBMFYSA-N 1 3 316.449 2.041 20 0 DEADHO CN(CCC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccncc1 ZINC000542784191 285250326 /nfs/dbraw/zinc/25/03/26/285250326.db2.gz PHSUNKYIKYIOMY-HNNXBMFYSA-N 1 3 316.449 2.041 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCC(F)(F)F ZINC000361691324 285276774 /nfs/dbraw/zinc/27/67/74/285276774.db2.gz QWXDAZORJUEGQT-ZDUSSCGKSA-N 1 3 323.403 2.203 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCC(F)(F)F ZINC000361691324 285276779 /nfs/dbraw/zinc/27/67/79/285276779.db2.gz QWXDAZORJUEGQT-ZDUSSCGKSA-N 1 3 323.403 2.203 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC=C(C)C ZINC000190655313 285277668 /nfs/dbraw/zinc/27/76/68/285277668.db2.gz NSALKNIZIWLJFX-INIZCTEOSA-N 1 3 310.486 2.010 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC=C(C)C ZINC000190655313 285277672 /nfs/dbraw/zinc/27/76/72/285277672.db2.gz NSALKNIZIWLJFX-INIZCTEOSA-N 1 3 310.486 2.010 20 0 DEADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000289764030 221208545 /nfs/dbraw/zinc/20/85/45/221208545.db2.gz IECOJRCYFLPWCL-NXHRZFHOSA-N 1 3 315.461 2.328 20 0 DEADHO C[C@@H](C(=O)N1CCc2sccc2C1)N1CCC[C@H](CC[NH3+])C1 ZINC000443075241 533221825 /nfs/dbraw/zinc/22/18/25/533221825.db2.gz RFURUKCOLTVWTN-UONOGXRCSA-N 1 3 321.490 2.082 20 0 DEADHO CN(C)CCNC(=O)C1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC000683783854 542495304 /nfs/dbraw/zinc/49/53/04/542495304.db2.gz UMCOAROUTPMHKY-SFHVURJKSA-N 1 3 315.461 2.064 20 0 DEADHO C[C@@H](NC(=O)[C@H](C)NC1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295763457 533260376 /nfs/dbraw/zinc/26/03/76/533260376.db2.gz QILYPRXIGUHCQN-VYDXJSESSA-N 1 3 315.461 2.154 20 0 DEADHO C[C@@H](NC(=O)[C@H](C)NC1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295763457 533260379 /nfs/dbraw/zinc/26/03/79/533260379.db2.gz QILYPRXIGUHCQN-VYDXJSESSA-N 1 3 315.461 2.154 20 0 DEADHO C[NH+](C)C1CCN(CCN[C@H]2CCCc3cccnc32)CC1 ZINC000684957361 542690310 /nfs/dbraw/zinc/69/03/10/542690310.db2.gz JCXRYAQUOVOYOG-KRWDZBQOSA-N 1 3 302.466 2.075 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+]CC[C@@H](O)C(F)(F)F)cc1 ZINC000685458169 542727586 /nfs/dbraw/zinc/72/75/86/542727586.db2.gz PVTWKHYXGMIVOC-CQSZACIVSA-N 1 3 320.355 2.030 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCN2CCOCC2)CC1 ZINC000340691106 132157913 /nfs/dbraw/zinc/15/79/13/132157913.db2.gz BRKRHKFYLGMFCB-GOSISDBHSA-N 1 3 323.525 2.295 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCN2CCOCC2)CC1 ZINC000340691106 132157914 /nfs/dbraw/zinc/15/79/14/132157914.db2.gz BRKRHKFYLGMFCB-GOSISDBHSA-N 1 3 323.525 2.295 20 0 DEADHO CC(C)Cn1cc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cn1 ZINC000562751402 292008739 /nfs/dbraw/zinc/00/87/39/292008739.db2.gz QYXFLZBOWPJLRU-ROUUACIJSA-N 1 3 320.481 2.257 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C)CC[C@H]1C ZINC000355403004 133024000 /nfs/dbraw/zinc/02/40/00/133024000.db2.gz NERDJILMLOTPNU-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C)CC[C@H]1C ZINC000355403004 133024001 /nfs/dbraw/zinc/02/40/01/133024001.db2.gz NERDJILMLOTPNU-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO C[NH+](C)CCC1CCN(CC[S@@](=O)c2ccccc2)CC1 ZINC000355745730 133045253 /nfs/dbraw/zinc/04/52/53/133045253.db2.gz FEEZRMGLTHHNSB-OAQYLSRUSA-N 1 3 308.491 2.458 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H]2C(C)(C)C)CC1 ZINC000358200153 133127697 /nfs/dbraw/zinc/12/76/97/133127697.db2.gz UEBBIFFZTYAFNW-MRXNPFEDSA-N 1 3 309.498 2.486 20 0 DEADHO COCCN1CCC([NH2+]C[C@H](c2ccco2)N2CCCC2)CC1 ZINC000359942459 133154021 /nfs/dbraw/zinc/15/40/21/133154021.db2.gz WALPPCOWQQCWBR-QGZVFWFLSA-N 1 3 321.465 2.117 20 0 DEADHO COCC[NH+]1CCC(NC[C@H](c2ccco2)N2CCCC2)CC1 ZINC000359942459 133154022 /nfs/dbraw/zinc/15/40/22/133154022.db2.gz WALPPCOWQQCWBR-QGZVFWFLSA-N 1 3 321.465 2.117 20 0 DEADHO CC1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000359996559 133156510 /nfs/dbraw/zinc/15/65/10/133156510.db2.gz XGADQZNHMKHXMB-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CC1CCN(CCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000359996559 133156511 /nfs/dbraw/zinc/15/65/11/133156511.db2.gz XGADQZNHMKHXMB-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC000360416461 133180944 /nfs/dbraw/zinc/18/09/44/133180944.db2.gz IEGIKFUFYXKBCI-BPQIPLTHSA-N 1 3 311.514 2.053 20 0 DEADHO Cc1cc(C)cc(NC(=[NH2+])NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000360574159 133191413 /nfs/dbraw/zinc/19/14/13/133191413.db2.gz YCORVOOFYAYXIR-CVEARBPZSA-N 1 3 302.422 2.103 20 0 DEADHO CSC1(C[NH2+]C2CCN(C3CCN(C)CC3)CC2)CCC1 ZINC000368113921 133260859 /nfs/dbraw/zinc/26/08/59/133260859.db2.gz MKEORFAJMOERCF-UHFFFAOYSA-N 1 3 311.539 2.420 20 0 DEADHO C[C@@H]1CN(CC2CC[NH+](CCOC3CCC3)CC2)C[C@@H](C)O1 ZINC000376499307 133297168 /nfs/dbraw/zinc/29/71/68/133297168.db2.gz CFDBTNAXKBBHBP-HZPDHXFCSA-N 1 3 310.482 2.377 20 0 DEADHO CC[NH2+]CC1CCN([C@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000430587654 285586325 /nfs/dbraw/zinc/58/63/25/285586325.db2.gz XBAGUUSSXCTLMB-KRWDZBQOSA-N 1 3 303.450 2.137 20 0 DEADHO COC[C@@H](O)CNCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000564845648 292114819 /nfs/dbraw/zinc/11/48/19/292114819.db2.gz VCXTZBFKQYEPIA-QAPCUYQASA-N 1 3 306.450 2.015 20 0 DEADHO COC[C@@H](O)CNCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000564845648 292114820 /nfs/dbraw/zinc/11/48/20/292114820.db2.gz VCXTZBFKQYEPIA-QAPCUYQASA-N 1 3 306.450 2.015 20 0 DEADHO CC[N@@H+]1CC[C@H](NCCNc2cc(OC)cc(OC)c2)[C@@H](C)C1 ZINC000246301111 145098166 /nfs/dbraw/zinc/09/81/66/145098166.db2.gz DBHCJJSIKASFHR-KSSFIOAISA-N 1 3 321.465 2.436 20 0 DEADHO CC[N@H+]1CC[C@H](NCCNc2cc(OC)cc(OC)c2)[C@@H](C)C1 ZINC000246301111 145098169 /nfs/dbraw/zinc/09/81/69/145098169.db2.gz DBHCJJSIKASFHR-KSSFIOAISA-N 1 3 321.465 2.436 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)C1 ZINC000247379616 145135566 /nfs/dbraw/zinc/13/55/66/145135566.db2.gz UCRKIKMXZXYFGY-ZACQAIPSSA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)C1 ZINC000247379616 145135567 /nfs/dbraw/zinc/13/55/67/145135567.db2.gz UCRKIKMXZXYFGY-ZACQAIPSSA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@@H+]1CC[C@@H](NCCNC(=O)c2ccccc2Cl)[C@@H](C)C1 ZINC000248183226 145150400 /nfs/dbraw/zinc/15/04/00/145150400.db2.gz WVCAXKQEUGXWSS-XJKSGUPXSA-N 1 3 323.868 2.390 20 0 DEADHO CC[N@H+]1CC[C@@H](NCCNC(=O)c2ccccc2Cl)[C@@H](C)C1 ZINC000248183226 145150401 /nfs/dbraw/zinc/15/04/01/145150401.db2.gz WVCAXKQEUGXWSS-XJKSGUPXSA-N 1 3 323.868 2.390 20 0 DEADHO C[C@@H](C(=O)NCCC[NH+]1CCC(C)CC1)N1[C@H](C)CC[C@H]1C ZINC000249741747 145189232 /nfs/dbraw/zinc/18/92/32/145189232.db2.gz JUWJQHKXYVOCCO-ZACQAIPSSA-N 1 3 309.498 2.486 20 0 DEADHO FC(F)(F)CN1CC[C@H](CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000252514570 145198783 /nfs/dbraw/zinc/19/87/83/145198783.db2.gz OHUWNWITXRRIQU-MCIONIFRSA-N 1 3 305.388 2.087 20 0 DEADHO FC(F)(F)CN1CC[C@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000252514570 145198786 /nfs/dbraw/zinc/19/87/86/145198786.db2.gz OHUWNWITXRRIQU-MCIONIFRSA-N 1 3 305.388 2.087 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000261553198 145207284 /nfs/dbraw/zinc/20/72/84/145207284.db2.gz SHTOWLKMRGYJBP-NVXWUHKLSA-N 1 3 315.461 2.013 20 0 DEADHO O=C(Nc1ccc(O)cc1)C1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000261773869 145224703 /nfs/dbraw/zinc/22/47/03/145224703.db2.gz DWJYDYCAQMFVTN-AWEZNQCLSA-N 1 3 317.433 2.042 20 0 DEADHO C[C@H]([NH3+])C1CCN(CC(=O)N(C)[C@@H](C)c2ccccc2)CC1 ZINC000261860074 145234976 /nfs/dbraw/zinc/23/49/76/145234976.db2.gz FSOUPCCJMBCJJW-GJZGRUSLSA-N 1 3 303.450 2.265 20 0 DEADHO CC[C@H]1CCCCN1C(=O)[C@@H](C)N1CCC(CC[NH2+]C)CC1 ZINC000262008713 145252608 /nfs/dbraw/zinc/25/26/08/145252608.db2.gz SJFFEQGJEJZIJK-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO FC(F)(F)CN1CC[C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000262290746 145273746 /nfs/dbraw/zinc/27/37/46/145273746.db2.gz NEBRUJWQAQIDLL-LXTVHRRPSA-N 1 3 319.415 2.381 20 0 DEADHO CCCN(C(=O)[C@H](C)C[NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000262417674 145283081 /nfs/dbraw/zinc/28/30/81/145283081.db2.gz RIRHYRRUAPJAKT-AEFFLSMTSA-N 1 3 317.477 2.484 20 0 DEADHO COc1cccc(N2CCN(C[C@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000262442087 145284597 /nfs/dbraw/zinc/28/45/97/145284597.db2.gz GVSVCSLENLHCPK-CVEARBPZSA-N 1 3 303.450 2.205 20 0 DEADHO [NH3+][C@@H]1CC[C@@H]2CN(CCCc3nc(-c4cccs4)no3)C[C@H]12 ZINC000319483636 145372166 /nfs/dbraw/zinc/37/21/66/145372166.db2.gz UWDFTODBILKBCU-FRRDWIJNSA-N 1 3 318.446 2.400 20 0 DEADHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@H](C)CN(C)C)cc1 ZINC000346135862 146021795 /nfs/dbraw/zinc/02/17/95/146021795.db2.gz KSCVXEXMJQVKAF-OAHLLOKOSA-N 1 3 321.465 2.087 20 0 DEADHO CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)CN(C)C)cc1)C1CC1 ZINC000346155575 146026047 /nfs/dbraw/zinc/02/60/47/146026047.db2.gz ARTAMPRFWPMCAY-AWEZNQCLSA-N 1 3 303.450 2.351 20 0 DEADHO CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)CN(C)C)cc1)C1CC1 ZINC000346155575 146026049 /nfs/dbraw/zinc/02/60/49/146026049.db2.gz ARTAMPRFWPMCAY-AWEZNQCLSA-N 1 3 303.450 2.351 20 0 DEADHO C[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)[C@@H]1CCCO1 ZINC000346567920 146103377 /nfs/dbraw/zinc/10/33/77/146103377.db2.gz VSQHXMKVGOZCKQ-KXBFYZLASA-N 1 3 318.461 2.300 20 0 DEADHO [NH3+]CCCOC1CCN(Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000346693108 146125920 /nfs/dbraw/zinc/12/59/20/146125920.db2.gz KURASMZQZQFEDZ-UHFFFAOYSA-N 1 3 314.433 2.407 20 0 DEADHO Cn1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(-c2cccnc2)n1 ZINC000346831628 146149341 /nfs/dbraw/zinc/14/93/41/146149341.db2.gz QIYFCKXSRJFVLG-USXIJHARSA-N 1 3 311.433 2.041 20 0 DEADHO C[N@@H+]1CC[C@H](NC[C@](C)(CO)c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000348296665 146250064 /nfs/dbraw/zinc/25/00/64/146250064.db2.gz XAMHXDHCMZXYQK-INDMIFKZSA-N 1 3 302.462 2.399 20 0 DEADHO C[N@H+]1CC[C@H](NC[C@](C)(CO)c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000348296665 146250066 /nfs/dbraw/zinc/25/00/66/146250066.db2.gz XAMHXDHCMZXYQK-INDMIFKZSA-N 1 3 302.462 2.399 20 0 DEADHO CC(C)OC(=O)CC[NH+]1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000348304391 146251678 /nfs/dbraw/zinc/25/16/78/146251678.db2.gz HJRXZGAZESAYRD-QZTJIDSGSA-N 1 3 316.445 2.392 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000349118029 146352579 /nfs/dbraw/zinc/35/25/79/146352579.db2.gz LVZZFZVGVGTUBU-QGZVFWFLSA-N 1 3 307.482 2.338 20 0 DEADHO CCCN(C)CC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000349601974 146389698 /nfs/dbraw/zinc/38/96/98/146389698.db2.gz UOQDZJDCDLYUBT-INIZCTEOSA-N 1 3 305.466 2.355 20 0 DEADHO CCCN(C)CC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000349601974 146389700 /nfs/dbraw/zinc/38/97/00/146389700.db2.gz UOQDZJDCDLYUBT-INIZCTEOSA-N 1 3 305.466 2.355 20 0 DEADHO CC[N@H+](CCC1CCN([C@H](C)C(=O)NC2CC2)CC1)CC1CC1 ZINC000357071880 147034867 /nfs/dbraw/zinc/03/48/67/147034867.db2.gz CMLNSNULEVPZLM-OAHLLOKOSA-N 1 3 321.509 2.488 20 0 DEADHO CC[N@@H+](CCC1CCN([C@H](C)C(=O)NC2CC2)CC1)CC1CC1 ZINC000357071880 147034870 /nfs/dbraw/zinc/03/48/70/147034870.db2.gz CMLNSNULEVPZLM-OAHLLOKOSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](C1CC1)N(C(=O)CN1CCC([C@@H]2CC[NH2+]C2)CC1)C1CC1 ZINC000357072759 147035218 /nfs/dbraw/zinc/03/52/18/147035218.db2.gz HOYZFBGWAAGUDA-WMLDXEAASA-N 1 3 319.493 2.097 20 0 DEADHO CC(C)N1CCCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000358256106 147102986 /nfs/dbraw/zinc/10/29/86/147102986.db2.gz CJSFHZUSVQOBJG-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO NC[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(F)cc1 ZINC000358855024 147218824 /nfs/dbraw/zinc/21/88/24/147218824.db2.gz HUUKBURICHCAMV-WBVHZDCISA-N 1 3 319.424 2.001 20 0 DEADHO NC[C@H](C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc(F)cc1 ZINC000358855024 147218828 /nfs/dbraw/zinc/21/88/28/147218828.db2.gz HUUKBURICHCAMV-WBVHZDCISA-N 1 3 319.424 2.001 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000359224423 147285372 /nfs/dbraw/zinc/28/53/72/147285372.db2.gz IGQRRIZQZSOMCF-WBVHZDCISA-N 1 3 322.497 2.177 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000359224423 147285374 /nfs/dbraw/zinc/28/53/74/147285374.db2.gz IGQRRIZQZSOMCF-WBVHZDCISA-N 1 3 322.497 2.177 20 0 DEADHO CO[C@]1(C[NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)CCOC1 ZINC000359431738 147326745 /nfs/dbraw/zinc/32/67/45/147326745.db2.gz UVJNXZWZXGWZNP-SZMVWBNQSA-N 1 3 310.482 2.425 20 0 DEADHO C[C@H](C(=O)Nc1cc(Cl)ccc1F)N1CCC[C@H](C[NH3+])C1 ZINC000565716892 292177445 /nfs/dbraw/zinc/17/74/45/292177445.db2.gz HZGBTJANJYZWPA-GHMZBOCLSA-N 1 3 313.804 2.477 20 0 DEADHO CC(C)N1CCN(CCC[NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000370317112 148005986 /nfs/dbraw/zinc/00/59/86/148005986.db2.gz UIHYBMLDSKUNIH-GOSISDBHSA-N 1 3 323.525 2.341 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CC(C)(C)[NH3+] ZINC000370772957 148053867 /nfs/dbraw/zinc/05/38/67/148053867.db2.gz MXBKHNRWBWFWFB-HOCLYGCPSA-N 1 3 303.450 2.141 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000073665867 401720129 /nfs/dbraw/zinc/72/01/29/401720129.db2.gz RMCVBQWIABCUAV-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000073665867 401720132 /nfs/dbraw/zinc/72/01/32/401720132.db2.gz RMCVBQWIABCUAV-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H]1C[C@H](NC(=O)NCCC[NH+]2CCC(C)CC2)CN1C1CC1 ZINC000127361636 401730895 /nfs/dbraw/zinc/73/08/95/401730895.db2.gz MDCRXKWHZLHESC-HOTGVXAUSA-N 1 3 322.497 2.033 20 0 DEADHO Cc1c(CN2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cnn1C ZINC000126482026 401696408 /nfs/dbraw/zinc/69/64/08/401696408.db2.gz UKVCBVFZLMRACL-HUUCEWRRSA-N 1 3 320.481 2.050 20 0 DEADHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(OC)c2)C1 ZINC000072861176 401713535 /nfs/dbraw/zinc/71/35/35/401713535.db2.gz GVHFTMFDNRZESF-OAHLLOKOSA-N 1 3 319.449 2.297 20 0 DEADHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(OC)c2)C1 ZINC000072861176 401713537 /nfs/dbraw/zinc/71/35/37/401713537.db2.gz GVHFTMFDNRZESF-OAHLLOKOSA-N 1 3 319.449 2.297 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN(C2CC2)C2CCCC2)CC1 ZINC000114455094 401799749 /nfs/dbraw/zinc/79/97/49/401799749.db2.gz WNVXGGACHMRAQC-UHFFFAOYSA-N 1 3 307.482 2.382 20 0 DEADHO CC[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccccc1 ZINC000114501963 401802480 /nfs/dbraw/zinc/80/24/80/401802480.db2.gz WYRBBAUSUHLSOW-LJQANCHMSA-N 1 3 319.493 2.117 20 0 DEADHO CC(C)[C@@H](C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1)N(C)C ZINC000130560884 401835503 /nfs/dbraw/zinc/83/55/03/401835503.db2.gz BDXIHZHVVGQMSZ-ULQDDVLXSA-N 1 3 311.514 2.447 20 0 DEADHO C[C@@H]1C[C@H](C[NH3+])CN1CCCc1nc(-c2cccs2)no1 ZINC000131617969 401853663 /nfs/dbraw/zinc/85/36/63/401853663.db2.gz FZGKIRFKANNHJO-VXGBXAGGSA-N 1 3 306.435 2.400 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CN1C1CC1 ZINC000119177921 401931023 /nfs/dbraw/zinc/93/10/23/401931023.db2.gz VLVDLQJHLHGMNK-CHWSQXEVSA-N 1 3 322.497 2.220 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC000137482366 401983656 /nfs/dbraw/zinc/98/36/56/401983656.db2.gz MNKNUHYNNUCZKL-CRAIPNDOSA-N 1 3 315.461 2.107 20 0 DEADHO CCCN1CC[C@H](C[NH2+]C2CCN(C(=O)c3ccco3)CC2)C1 ZINC000151141765 402018629 /nfs/dbraw/zinc/01/86/29/402018629.db2.gz RREQBSDNPLSMCD-OAHLLOKOSA-N 1 3 319.449 2.206 20 0 DEADHO Cc1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc(C)c1F ZINC000121374608 402032175 /nfs/dbraw/zinc/03/21/75/402032175.db2.gz TVOHUOOCUBBXNC-UHFFFAOYSA-N 1 3 309.429 2.008 20 0 DEADHO CN(C)CCN1CCC([NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000150947201 402006372 /nfs/dbraw/zinc/00/63/72/402006372.db2.gz AOJSRUUMCYHXMT-GOSISDBHSA-N 1 3 305.441 2.429 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000122248883 402069228 /nfs/dbraw/zinc/06/92/28/402069228.db2.gz HJPODOCCXWNMNC-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000122248467 402068926 /nfs/dbraw/zinc/06/89/26/402068926.db2.gz HJPODOCCXWNMNC-HOTGVXAUSA-N 1 3 310.486 2.034 20 0 DEADHO COc1ccccc1[C@H](C[NH2+][C@H]1CCN(C)C[C@H]1C)N(C)C ZINC000153300469 402137773 /nfs/dbraw/zinc/13/77/73/402137773.db2.gz JIAXVOOGJRSUGL-PVAVHDDUSA-N 1 3 305.466 2.228 20 0 DEADHO COc1ccccc1[C@H](CN[C@H]1CC[N@H+](C)C[C@H]1C)N(C)C ZINC000153300469 402137775 /nfs/dbraw/zinc/13/77/75/402137775.db2.gz JIAXVOOGJRSUGL-PVAVHDDUSA-N 1 3 305.466 2.228 20 0 DEADHO COc1ccccc1[C@H](CN[C@H]1CC[N@@H+](C)C[C@H]1C)N(C)C ZINC000153300469 402137776 /nfs/dbraw/zinc/13/77/76/402137776.db2.gz JIAXVOOGJRSUGL-PVAVHDDUSA-N 1 3 305.466 2.228 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000154050709 402189148 /nfs/dbraw/zinc/18/91/48/402189148.db2.gz UXSUONGKPDPZMN-KRWDZBQOSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@@H](CNC(=O)N(C)CC1CC[NH+](C)CC1)N1CCC[C@@H](C)C1 ZINC000103603729 402192801 /nfs/dbraw/zinc/19/28/01/402192801.db2.gz GRKSQMBVGHSGKL-CVEARBPZSA-N 1 3 324.513 2.090 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000154216956 402199613 /nfs/dbraw/zinc/19/96/13/402199613.db2.gz YNEMGTPICZDINC-GOSISDBHSA-N 1 3 305.441 2.430 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000157300778 402293888 /nfs/dbraw/zinc/29/38/88/402293888.db2.gz SHXUWTZQXQVAQE-UHFFFAOYSA-N 1 3 320.481 2.230 20 0 DEADHO C[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)N(C)C1CC1 ZINC000159102557 402317485 /nfs/dbraw/zinc/31/74/85/402317485.db2.gz ZKIDSOJWOREASO-NVXWUHKLSA-N 1 3 322.497 2.129 20 0 DEADHO Cc1ccc(CNCCOCC[NH+](C)C)cc1Br ZINC000231675943 402354727 /nfs/dbraw/zinc/35/47/27/402354727.db2.gz FWWGKHVOJOCLFU-UHFFFAOYSA-N 1 3 315.255 2.425 20 0 DEADHO C[NH+](C)CCOCCNCc1cc(F)cc(Br)c1 ZINC000234255502 402359967 /nfs/dbraw/zinc/35/99/67/402359967.db2.gz GEBGVQMJQCGJEC-UHFFFAOYSA-N 1 3 319.218 2.256 20 0 DEADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000236605817 402367653 /nfs/dbraw/zinc/36/76/53/402367653.db2.gz CAVMVGHGYNPDTI-QZTJIDSGSA-N 1 3 317.477 2.483 20 0 DEADHO CC(C)C[C@H](C[NH3+])NC(=O)c1cccc(CN2CCCC2)c1 ZINC000236612840 402368438 /nfs/dbraw/zinc/36/84/38/402368438.db2.gz ZITWEKYGGITNDU-QGZVFWFLSA-N 1 3 303.450 2.386 20 0 DEADHO CC(C)(C)[C@H]([NH3+])C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000236686980 402374572 /nfs/dbraw/zinc/37/45/72/402374572.db2.gz NMWZMYPHOPOFEP-MRXNPFEDSA-N 1 3 317.477 2.313 20 0 DEADHO CC1CC[NH+](CCCNC(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000236701265 402375920 /nfs/dbraw/zinc/37/59/20/402375920.db2.gz DUYIIGKXAHHTDD-QGZVFWFLSA-N 1 3 303.450 2.315 20 0 DEADHO CC(C)C[C@H](N)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000236703075 402376058 /nfs/dbraw/zinc/37/60/58/402376058.db2.gz PNCSBDRRBMZEES-KRWDZBQOSA-N 1 3 321.465 2.007 20 0 DEADHO C[C@H](CC(=O)NC[C@@H](C)N1CCC(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000236723500 402378409 /nfs/dbraw/zinc/37/84/09/402378409.db2.gz PTVUKZVRSBEZEH-BRWVUGGUSA-N 1 3 309.498 2.249 20 0 DEADHO C[C@H]1C[C@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)CN1C1CC1 ZINC000185798914 402378487 /nfs/dbraw/zinc/37/84/87/402378487.db2.gz MTCVIKNTSRAJDV-GJZGRUSLSA-N 1 3 322.497 2.033 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H](C[NH3+])C(C)C)c1ccccc1 ZINC000236878759 402386679 /nfs/dbraw/zinc/38/66/79/402386679.db2.gz XIFZSXKDPKTXIG-DLBZAZTESA-N 1 3 305.466 2.417 20 0 DEADHO C[C@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[C@@H](N)c1ccccc1 ZINC000237420932 402407784 /nfs/dbraw/zinc/40/77/84/402407784.db2.gz JVKXSGQWMVHCCI-USXIJHARSA-N 1 3 301.434 2.019 20 0 DEADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C[C@@H](N)c1ccccc1 ZINC000237544520 402411994 /nfs/dbraw/zinc/41/19/94/402411994.db2.gz WTAKZQWBKCCTNI-BFYDXBDKSA-N 1 3 303.450 2.313 20 0 DEADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C[C@@H](N)c1ccccc1 ZINC000237544520 402411996 /nfs/dbraw/zinc/41/19/96/402411996.db2.gz WTAKZQWBKCCTNI-BFYDXBDKSA-N 1 3 303.450 2.313 20 0 DEADHO CCC[C@@H]1CN(CCC[NH+]2CCCCC2)CCN1CCOC ZINC000162176418 402412039 /nfs/dbraw/zinc/41/20/39/402412039.db2.gz XVMDJJRWTYQBRH-GOSISDBHSA-N 1 3 311.514 2.295 20 0 DEADHO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000237960806 402428229 /nfs/dbraw/zinc/42/82/29/402428229.db2.gz BNJLOXYWBOYSHJ-MJBXVCDLSA-N 1 3 307.463 2.129 20 0 DEADHO C[NH2+]C[C@H](C)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000163577110 402452713 /nfs/dbraw/zinc/45/27/13/402452713.db2.gz SBOWYSZJUNLFJX-LSDHHAIUSA-N 1 3 323.506 2.493 20 0 DEADHO O=C(NC1CCN(C2CC2)CC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178097335 402460712 /nfs/dbraw/zinc/46/07/12/402460712.db2.gz MLTQTXMWPXILDN-OAHLLOKOSA-N 1 3 319.493 2.384 20 0 DEADHO O=C(NC1CCN(C2CC2)CC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178097335 402460714 /nfs/dbraw/zinc/46/07/14/402460714.db2.gz MLTQTXMWPXILDN-OAHLLOKOSA-N 1 3 319.493 2.384 20 0 DEADHO C[C@H](N)C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000164841055 402469520 /nfs/dbraw/zinc/46/95/20/402469520.db2.gz XDBHAWFEUCLSQI-KFWWJZLASA-N 1 3 303.450 2.128 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000166209587 402482768 /nfs/dbraw/zinc/48/27/68/402482768.db2.gz GEVWLTHIUDSZKV-JKSUJKDBSA-N 1 3 321.490 2.204 20 0 DEADHO CC[C@@H](C)[C@@H](N)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000166212869 402482824 /nfs/dbraw/zinc/48/28/24/402482824.db2.gz JDNOSXHWAPPOKH-CZUORRHYSA-N 1 3 323.506 2.450 20 0 DEADHO CC[C@H](N)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000166421698 402484439 /nfs/dbraw/zinc/48/44/39/402484439.db2.gz PXMSJOMEVFDWBC-KRWDZBQOSA-N 1 3 303.450 2.272 20 0 DEADHO CC(C)C[C@H](N)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000166382029 402484593 /nfs/dbraw/zinc/48/45/93/402484593.db2.gz ZXDRUZPUHJLSQF-MSOLQXFVSA-N 1 3 317.477 2.041 20 0 DEADHO CC(C)C[C@H](N)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000166382029 402484597 /nfs/dbraw/zinc/48/45/97/402484597.db2.gz ZXDRUZPUHJLSQF-MSOLQXFVSA-N 1 3 317.477 2.041 20 0 DEADHO CC1CC[NH+](Cc2cccc(CNC(=O)C(C)(C)N)c2)CC1 ZINC000166419947 402484608 /nfs/dbraw/zinc/48/46/08/402484608.db2.gz YZTZMNIIWRHLIA-UHFFFAOYSA-N 1 3 303.450 2.272 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000167617518 402492325 /nfs/dbraw/zinc/49/23/25/402492325.db2.gz SRKSBIKUJGWQCY-HOCLYGCPSA-N 1 3 303.450 2.232 20 0 DEADHO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCN1CCCC1 ZINC000178413044 402495804 /nfs/dbraw/zinc/49/58/04/402495804.db2.gz HTYSUTBWRMUGHW-LBPRGKRZSA-N 1 3 315.259 2.110 20 0 DEADHO C[C@@H](Cn1cc(Br)cn1)NCCC[NH+]1CCCC1 ZINC000178413044 402495808 /nfs/dbraw/zinc/49/58/08/402495808.db2.gz HTYSUTBWRMUGHW-LBPRGKRZSA-N 1 3 315.259 2.110 20 0 DEADHO CC1CCC(N2CCN(C(=O)CC3CC[NH2+]CC3)CC2)CC1 ZINC000168894338 402499328 /nfs/dbraw/zinc/49/93/28/402499328.db2.gz SAHHNLMSGJEKBY-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000178840760 402545380 /nfs/dbraw/zinc/54/53/80/402545380.db2.gz ANYZSXLASNXKBN-SJLPKXTDSA-N 1 3 315.461 2.109 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246857120 402547516 /nfs/dbraw/zinc/54/75/16/402547516.db2.gz CKGRRFNCTSKNKF-GVDBMIGSSA-N 1 3 324.513 2.423 20 0 DEADHO CC[N@H+](CCNC(=O)Nc1cccc(CN(C)C)c1)C1CC1 ZINC000171116665 402559270 /nfs/dbraw/zinc/55/92/70/402559270.db2.gz ONYZSQZMYMTTJI-UHFFFAOYSA-N 1 3 304.438 2.354 20 0 DEADHO CC[N@@H+](CCNC(=O)Nc1cccc(CN(C)C)c1)C1CC1 ZINC000171116665 402559273 /nfs/dbraw/zinc/55/92/73/402559273.db2.gz ONYZSQZMYMTTJI-UHFFFAOYSA-N 1 3 304.438 2.354 20 0 DEADHO Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CC[C@@H](CN(C)C)C2)c1C ZINC000247461506 402567482 /nfs/dbraw/zinc/56/74/82/402567482.db2.gz QVTDYBRFVFCVIL-ROUUACIJSA-N 1 3 320.477 2.235 20 0 DEADHO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CC[C@@H](CN(C)C)C2)c1C ZINC000247461506 402567486 /nfs/dbraw/zinc/56/74/86/402567486.db2.gz QVTDYBRFVFCVIL-ROUUACIJSA-N 1 3 320.477 2.235 20 0 DEADHO O[C@@H]1c2ccccc2C[C@H]1[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000247782652 402575955 /nfs/dbraw/zinc/57/59/55/402575955.db2.gz UEZBQMSEZQAUAH-KFKAGJAMSA-N 1 3 300.446 2.453 20 0 DEADHO O[C@@H]1c2ccccc2C[C@H]1[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000247782652 402575958 /nfs/dbraw/zinc/57/59/58/402575958.db2.gz UEZBQMSEZQAUAH-KFKAGJAMSA-N 1 3 300.446 2.453 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H](CN)c1ccccc1 ZINC000246255291 402520891 /nfs/dbraw/zinc/52/08/91/402520891.db2.gz KHKAFJHKIYNGCS-FUHWJXTLSA-N 1 3 317.477 2.500 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H](CN)c1ccccc1 ZINC000246255291 402520892 /nfs/dbraw/zinc/52/08/92/402520892.db2.gz KHKAFJHKIYNGCS-FUHWJXTLSA-N 1 3 317.477 2.500 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000246281677 402522730 /nfs/dbraw/zinc/52/27/30/402522730.db2.gz KBHQDHGLRCVZMC-WCXIOVBPSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000246281677 402522732 /nfs/dbraw/zinc/52/27/32/402522732.db2.gz KBHQDHGLRCVZMC-WCXIOVBPSA-N 1 3 324.513 2.088 20 0 DEADHO C[NH2+]CCCC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000178733648 402532172 /nfs/dbraw/zinc/53/21/72/402532172.db2.gz PHAZAUQAJSFUOL-AWEZNQCLSA-N 1 3 309.479 2.076 20 0 DEADHO CC1CCN(C(=O)C2CC[NH+](CC[C@@H]3CCCN3C)CC2)CC1 ZINC000179405694 402588744 /nfs/dbraw/zinc/58/87/44/402588744.db2.gz ZXGSVARRGROLMV-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+](C)C[C@H](O)CN(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000566416035 292236457 /nfs/dbraw/zinc/23/64/57/292236457.db2.gz LWRDSNHQKNZBFK-SQNIBIBYSA-N 1 3 324.440 2.290 20 0 DEADHO CC[N@@H+](C)C[C@H](O)CN(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000566416035 292236460 /nfs/dbraw/zinc/23/64/60/292236460.db2.gz LWRDSNHQKNZBFK-SQNIBIBYSA-N 1 3 324.440 2.290 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000248501988 402594002 /nfs/dbraw/zinc/59/40/02/402594002.db2.gz UAUILNXHURYLMN-HOTGVXAUSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CCOCC2)CCN1C ZINC000180740077 402624494 /nfs/dbraw/zinc/62/44/94/402624494.db2.gz VJDNGZPDQAETEX-IAGOWNOFSA-N 1 3 309.498 2.094 20 0 DEADHO CN1CCC[C@H](CNC(=O)C[C@@H]2CC[NH2+]C2)[C@H]1c1cccs1 ZINC000249588065 402635497 /nfs/dbraw/zinc/63/54/97/402635497.db2.gz UOCLJPSDKIMXLX-VBQJREDUSA-N 1 3 321.490 2.247 20 0 DEADHO CC(C)[N@@H+](C)CCNC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000181324759 402641519 /nfs/dbraw/zinc/64/15/19/402641519.db2.gz RYUXJNYFMCIXOG-INIZCTEOSA-N 1 3 320.481 2.146 20 0 DEADHO CC(C)[N@H+](C)CCNC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000181324759 402641521 /nfs/dbraw/zinc/64/15/21/402641521.db2.gz RYUXJNYFMCIXOG-INIZCTEOSA-N 1 3 320.481 2.146 20 0 DEADHO C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1cccc(OCCN(C)C)c1 ZINC000250090714 402644428 /nfs/dbraw/zinc/64/44/28/402644428.db2.gz QEXYRMGJEQNDCB-IAOVAPTHSA-N 1 3 306.450 2.437 20 0 DEADHO C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000192101402 402711488 /nfs/dbraw/zinc/71/14/88/402711488.db2.gz QEEHHNOHZMKQNO-QWRGUYRKSA-N 1 3 313.829 2.202 20 0 DEADHO C[C@@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000192110046 402711909 /nfs/dbraw/zinc/71/19/09/402711909.db2.gz HQUAZIAIMHGEJL-LJIGWXMPSA-N 1 3 303.450 2.139 20 0 DEADHO CN1CCC[C@@H]1CC[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000182948037 402728921 /nfs/dbraw/zinc/72/89/21/402728921.db2.gz QOWYRBMNPSFGHG-LJQANCHMSA-N 1 3 323.525 2.295 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCN1CCC(CCCN2CCOCC2)CC1 ZINC000182948037 402728922 /nfs/dbraw/zinc/72/89/22/402728922.db2.gz QOWYRBMNPSFGHG-LJQANCHMSA-N 1 3 323.525 2.295 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCN1CCC(CCCN2CCOCC2)CC1 ZINC000182948037 402728923 /nfs/dbraw/zinc/72/89/23/402728923.db2.gz QOWYRBMNPSFGHG-LJQANCHMSA-N 1 3 323.525 2.295 20 0 DEADHO O=C(NCCN1CCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000194037028 402782140 /nfs/dbraw/zinc/78/21/40/402782140.db2.gz OARCABCLGPMFFU-GOSISDBHSA-N 1 3 315.461 2.111 20 0 DEADHO O=C(NCCN1CCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000194037028 402782142 /nfs/dbraw/zinc/78/21/42/402782142.db2.gz OARCABCLGPMFFU-GOSISDBHSA-N 1 3 315.461 2.111 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000193091489 402764348 /nfs/dbraw/zinc/76/43/48/402764348.db2.gz BSDLLIZUJSONNJ-DLBZAZTESA-N 1 3 303.450 2.185 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCC(=O)Nc3ccccc3F)C[C@@H]21 ZINC000262124102 402722531 /nfs/dbraw/zinc/72/25/31/402722531.db2.gz KYPCTTRQZMYTNI-VNHYZAJKSA-N 1 3 305.397 2.214 20 0 DEADHO C[C@H](CC(=O)N1CC[C@H](N2CCCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000262332593 402724384 /nfs/dbraw/zinc/72/43/84/402724384.db2.gz SQBPYPCVVWNBIN-ZACQAIPSSA-N 1 3 307.482 2.099 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1(C[NH3+])CCCCC1 ZINC000184244146 402830187 /nfs/dbraw/zinc/83/01/87/402830187.db2.gz LJEORGOABLUVLG-CVEARBPZSA-N 1 3 307.482 2.371 20 0 DEADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)/C=C/C[NH+](C)C ZINC000265690812 402940457 /nfs/dbraw/zinc/94/04/57/402940457.db2.gz YQYPAAQFYMQTRA-RMKNXTFCSA-N 1 3 323.868 2.348 20 0 DEADHO CC[C@@H](C(=O)N(CCC[NH3+])Cc1ccccc1)N(CC)CC ZINC000280265669 402981625 /nfs/dbraw/zinc/98/16/25/402981625.db2.gz XMZDFOYAVILVJZ-KRWDZBQOSA-N 1 3 305.466 2.484 20 0 DEADHO C[C@H]([NH2+]CCNC(=O)C1CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274825144 403091565 /nfs/dbraw/zinc/09/15/65/403091565.db2.gz CEPPEXOYWYGGIO-YJBOKZPZSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@H](NCCNC(=O)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274825144 403091567 /nfs/dbraw/zinc/09/15/67/403091567.db2.gz CEPPEXOYWYGGIO-YJBOKZPZSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@H](NCCNC(=O)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274825144 403091569 /nfs/dbraw/zinc/09/15/69/403091569.db2.gz CEPPEXOYWYGGIO-YJBOKZPZSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@H]1C[C@H](NCCNC(=O)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000268699946 403107701 /nfs/dbraw/zinc/10/77/01/403107701.db2.gz AWHSRFFKYPXDLA-MAUKXSAKSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H]1C[C@H](NCCNC(=O)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000268699946 403107703 /nfs/dbraw/zinc/10/77/03/403107703.db2.gz AWHSRFFKYPXDLA-MAUKXSAKSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@@H](O)CN1CCCC1 ZINC000268802301 403115194 /nfs/dbraw/zinc/11/51/94/403115194.db2.gz BLMLRTPMQQVYGH-HBUWYVDXSA-N 1 3 306.425 2.495 20 0 DEADHO C[C@@H]1C[C@@H](NCCC(=O)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000268808391 403116059 /nfs/dbraw/zinc/11/60/59/403116059.db2.gz LLWZLPCMZOSVLD-WBVHZDCISA-N 1 3 303.450 2.107 20 0 DEADHO C[C@@H]1C[C@@H](NCCC(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000268808391 403116062 /nfs/dbraw/zinc/11/60/62/403116062.db2.gz LLWZLPCMZOSVLD-WBVHZDCISA-N 1 3 303.450 2.107 20 0 DEADHO CN(C)Cc1cccc(NC(=O)NCC2([NH+](C)C)CCC2)c1 ZINC000275705068 403117236 /nfs/dbraw/zinc/11/72/36/403117236.db2.gz YISZXEGIEIKNPV-UHFFFAOYSA-N 1 3 304.438 2.354 20 0 DEADHO C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CCCCN2C2CC2)cc1 ZINC000277443053 403218352 /nfs/dbraw/zinc/21/83/52/403218352.db2.gz FQMZGPPYBVUOTC-SFHVURJKSA-N 1 3 315.461 2.495 20 0 DEADHO COc1ccc(C[NH2+]CCCN2CCCO[C@@H](C)C2)c(OC)c1 ZINC000277723890 403249618 /nfs/dbraw/zinc/24/96/18/403249618.db2.gz JGXUYDUGUQYGEI-HNNXBMFYSA-N 1 3 322.449 2.294 20 0 DEADHO CN(Cc1ccccc1)C1CCC([NH2+]CCS(C)(=O)=O)CC1 ZINC000286152985 403461150 /nfs/dbraw/zinc/46/11/50/403461150.db2.gz PLHZGSDEQSXEBA-UHFFFAOYSA-N 1 3 324.490 2.064 20 0 DEADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000343129499 403471064 /nfs/dbraw/zinc/47/10/64/403471064.db2.gz DWFUSGDJTKJVLY-IRXDYDNUSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000343129499 403471067 /nfs/dbraw/zinc/47/10/67/403471067.db2.gz DWFUSGDJTKJVLY-IRXDYDNUSA-N 1 3 321.509 2.347 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000566857155 292272991 /nfs/dbraw/zinc/27/29/91/292272991.db2.gz LBDIDTIFCWPVSA-KGLIPLIRSA-N 1 3 305.422 2.083 20 0 DEADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000332332979 403553146 /nfs/dbraw/zinc/55/31/46/403553146.db2.gz RFCGZHVWPUGQBO-SJORKVTESA-N 1 3 322.497 2.021 20 0 DEADHO CC[NH+](CC)CCN(CC(C)C)C(=O)NC[C@H]1CCCN1C ZINC000339943432 403500048 /nfs/dbraw/zinc/50/00/48/403500048.db2.gz ZFYSIIJIMAMMEE-MRXNPFEDSA-N 1 3 312.502 2.090 20 0 DEADHO C[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(-n2ccnn2)c1 ZINC000287265321 403563003 /nfs/dbraw/zinc/56/30/03/403563003.db2.gz APHJQPPMFWOBDJ-HUUCEWRRSA-N 1 3 311.433 2.402 20 0 DEADHO C[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc(-n2ccnn2)c1 ZINC000287265321 403563006 /nfs/dbraw/zinc/56/30/06/403563006.db2.gz APHJQPPMFWOBDJ-HUUCEWRRSA-N 1 3 311.433 2.402 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H]1CN1CCC(CN2CCOCC2)CC1 ZINC000340286012 403576776 /nfs/dbraw/zinc/57/67/76/403576776.db2.gz KHFBVYWIMXMOEW-IBGZPJMESA-N 1 3 323.525 2.294 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H]1CN1CCC(CN2CCOCC2)CC1 ZINC000340286012 403576780 /nfs/dbraw/zinc/57/67/80/403576780.db2.gz KHFBVYWIMXMOEW-IBGZPJMESA-N 1 3 323.525 2.294 20 0 DEADHO CC(C)N1CCCC[C@H]1C[NH+]1CCC(CN2CCOCC2)CC1 ZINC000340286012 403576782 /nfs/dbraw/zinc/57/67/82/403576782.db2.gz KHFBVYWIMXMOEW-IBGZPJMESA-N 1 3 323.525 2.294 20 0 DEADHO CC[NH+](CC)CCOc1ccccc1CNCC1(O)CCC1 ZINC000566909812 292276421 /nfs/dbraw/zinc/27/64/21/292276421.db2.gz PQJKLRBKJYNFIZ-UHFFFAOYSA-N 1 3 306.450 2.412 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)CCN1C ZINC000347213649 403624934 /nfs/dbraw/zinc/62/49/34/403624934.db2.gz KKVYRPDQOMSYQG-RDJZCZTQSA-N 1 3 324.513 2.233 20 0 DEADHO O=C1Nc2ccccc2C12CCC([NH2+]C[C@@H]1CCCNC1)CC2 ZINC000333257496 403708282 /nfs/dbraw/zinc/70/82/82/403708282.db2.gz IFWQFSCSZVBSRI-TZGCNFNXSA-N 1 3 313.445 2.408 20 0 DEADHO CC(C)=CCC[C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000567085398 292287893 /nfs/dbraw/zinc/28/78/93/292287893.db2.gz KRQGTCNQJMVUFU-INIZCTEOSA-N 1 3 312.502 2.256 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCN1C ZINC000340866386 403679364 /nfs/dbraw/zinc/67/93/64/403679364.db2.gz GBBKUTPFRUDJBU-STQMWFEESA-N 1 3 310.486 2.078 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)N(CC)CC ZINC000347384822 403688762 /nfs/dbraw/zinc/68/87/62/403688762.db2.gz ZGKVAYUHVJESOV-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)N(CC)CC ZINC000347384822 403688766 /nfs/dbraw/zinc/68/87/66/403688766.db2.gz ZGKVAYUHVJESOV-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H](c2ccccc2)N(C)C)CC[N@@H+]1C ZINC000340920702 403697984 /nfs/dbraw/zinc/69/79/84/403697984.db2.gz ZOQRNNGVOJYUJW-OIISXLGYSA-N 1 3 318.465 2.071 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H](c2ccccc2)N(C)C)CC[N@H+]1C ZINC000340920702 403697988 /nfs/dbraw/zinc/69/79/88/403697988.db2.gz ZOQRNNGVOJYUJW-OIISXLGYSA-N 1 3 318.465 2.071 20 0 DEADHO [NH3+][C@@H]1CCCC[C@H]1CC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000295138465 403770558 /nfs/dbraw/zinc/77/05/58/403770558.db2.gz ZKARXDTZIRRQKF-SWLSCSKDSA-N 1 3 303.406 2.015 20 0 DEADHO [NH3+][C@H]1CCCC[C@@H]1CC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000295138463 403770684 /nfs/dbraw/zinc/77/06/84/403770684.db2.gz ZKARXDTZIRRQKF-DOMZBBRYSA-N 1 3 303.406 2.015 20 0 DEADHO Cc1cc(N2CCC([NH2+][C@@H]3CCNCC[C@H]3C)CC2)nc(C)n1 ZINC000333296095 403719680 /nfs/dbraw/zinc/71/96/80/403719680.db2.gz PIBAZSQEKCUSTF-CXAGYDPISA-N 1 3 317.481 2.040 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)Nc2ccc3c(c2F)CCNC3)CC[N@@H+]1C ZINC000333387138 403740249 /nfs/dbraw/zinc/74/02/49/403740249.db2.gz WYCWPHSMVXDRND-AAEUAGOBSA-N 1 3 320.412 2.076 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)Nc2ccc3c(c2F)CCNC3)CC[N@H+]1C ZINC000333387138 403740251 /nfs/dbraw/zinc/74/02/51/403740251.db2.gz WYCWPHSMVXDRND-AAEUAGOBSA-N 1 3 320.412 2.076 20 0 DEADHO O=C(c1ccc2c(c1)C[NH2+]C2)N1CCN(C2CCCCC2)CC1 ZINC000347530138 403742531 /nfs/dbraw/zinc/74/25/31/403742531.db2.gz UUVOOUHVYPMDIZ-UHFFFAOYSA-N 1 3 313.445 2.380 20 0 DEADHO CCN1CCC(NC(=O)NCCC[NH+](C(C)C)C(C)C)CC1 ZINC000347696112 403810313 /nfs/dbraw/zinc/81/03/13/403810313.db2.gz SSGXOIGGBUPFIA-UHFFFAOYSA-N 1 3 312.502 2.279 20 0 DEADHO O=C(NCCN1CCC2(CCCCC2)CC1)NC[C@H]1CCC[NH2+]1 ZINC000333696740 403820141 /nfs/dbraw/zinc/82/01/41/403820141.db2.gz CZIGKGSSWBQDDU-MRXNPFEDSA-N 1 3 322.497 2.084 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CCN1C ZINC000341202503 403828030 /nfs/dbraw/zinc/82/80/30/403828030.db2.gz MSHAQTOGHONOEE-CVEARBPZSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[N@H+](C3CCCC3)CC2)CCN1C ZINC000341202503 403828037 /nfs/dbraw/zinc/82/80/37/403828037.db2.gz MSHAQTOGHONOEE-CVEARBPZSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H](NC1CC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000295287732 403832753 /nfs/dbraw/zinc/83/27/53/403832753.db2.gz WVIHOUFPBIDSQN-RLFYNMQTSA-N 1 3 315.461 2.154 20 0 DEADHO C[C@H](NC1CC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000295287732 403832756 /nfs/dbraw/zinc/83/27/56/403832756.db2.gz WVIHOUFPBIDSQN-RLFYNMQTSA-N 1 3 315.461 2.154 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCCCC1 ZINC000354594763 403894925 /nfs/dbraw/zinc/89/49/25/403894925.db2.gz FZBTUDYFVJCRKB-YESZJQIVSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)N1CCCCC1 ZINC000354594763 403894931 /nfs/dbraw/zinc/89/49/31/403894931.db2.gz FZBTUDYFVJCRKB-YESZJQIVSA-N 1 3 307.482 2.240 20 0 DEADHO CN(C)CCN(C)CCC[N@H+](C)CCc1ccc(F)c(F)c1 ZINC000344009630 403842981 /nfs/dbraw/zinc/84/29/81/403842981.db2.gz BGKZIXMZUGDZDI-UHFFFAOYSA-N 1 3 313.436 2.323 20 0 DEADHO CN(C)CCN(C)CCC[N@@H+](C)CCc1ccc(F)c(F)c1 ZINC000344009630 403842986 /nfs/dbraw/zinc/84/29/86/403842986.db2.gz BGKZIXMZUGDZDI-UHFFFAOYSA-N 1 3 313.436 2.323 20 0 DEADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000347752099 403844175 /nfs/dbraw/zinc/84/41/75/403844175.db2.gz MRUHGQZMMALSBI-IAGOWNOFSA-N 1 3 324.513 2.234 20 0 DEADHO CN1CCCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000344019412 403851941 /nfs/dbraw/zinc/85/19/41/403851941.db2.gz SQVMNHOGLPTDMT-UHFFFAOYSA-N 1 3 310.401 2.025 20 0 DEADHO CCN1CCC(NC(=O)C[N@H+](CC)[C@H]2CCCC[C@@H]2C)CC1 ZINC000411606317 403910178 /nfs/dbraw/zinc/91/01/78/403910178.db2.gz BCXQHKVYZHRFDK-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO CCN1CCC(NC(=O)C[N@@H+](CC)[C@H]2CCCC[C@@H]2C)CC1 ZINC000411606317 403910183 /nfs/dbraw/zinc/91/01/83/403910183.db2.gz BCXQHKVYZHRFDK-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO CCC1(CC)[C@H](NC[C@H](O)C[NH+]2CCC(C)CC2)C[C@@H]1OC ZINC000344107070 403914514 /nfs/dbraw/zinc/91/45/14/403914514.db2.gz RCTTUBUOYUZKSS-BBWFWOEESA-N 1 3 312.498 2.263 20 0 DEADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2C[C@@H](C)CCN2)CC1 ZINC000336859394 403931251 /nfs/dbraw/zinc/93/12/51/403931251.db2.gz HEVPBCXVSGVDRJ-DOTOQJQBSA-N 1 3 309.498 2.345 20 0 DEADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2C[C@@H](C)CCN2)CC1 ZINC000336859394 403931260 /nfs/dbraw/zinc/93/12/60/403931260.db2.gz HEVPBCXVSGVDRJ-DOTOQJQBSA-N 1 3 309.498 2.345 20 0 DEADHO CCN1C[C@@H](C)[C@H]([NH2+]CCc2ccc(OCCN(C)C)cc2)C1 ZINC000344143473 403937516 /nfs/dbraw/zinc/93/75/16/403937516.db2.gz ANRRSJQBKDZZSG-VQIMIIECSA-N 1 3 319.493 2.099 20 0 DEADHO CC(C)N1CCCN(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000341489157 403995396 /nfs/dbraw/zinc/99/53/96/403995396.db2.gz CTNSJARSGZATCC-IAGOWNOFSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)N1CCCN(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000341489157 403995401 /nfs/dbraw/zinc/99/54/01/403995401.db2.gz CTNSJARSGZATCC-IAGOWNOFSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)COCC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000369191882 403997193 /nfs/dbraw/zinc/99/71/93/403997193.db2.gz CCPFWBUQKVQORX-CALCHBBNSA-N 1 3 312.498 2.480 20 0 DEADHO Cn1cc([C@H](O)C[C@H]2CCCN2CC[C@H]2CCCC[N@@H+]2C)cn1 ZINC000369255734 404023979 /nfs/dbraw/zinc/02/39/79/404023979.db2.gz WQMKSZLLEPZTQH-KZNAEPCWSA-N 1 3 320.481 2.182 20 0 DEADHO Cn1cc([C@H](O)C[C@H]2CCCN2CC[C@H]2CCCC[N@H+]2C)cn1 ZINC000369255734 404023985 /nfs/dbraw/zinc/02/39/85/404023985.db2.gz WQMKSZLLEPZTQH-KZNAEPCWSA-N 1 3 320.481 2.182 20 0 DEADHO CC[C@H]1CCCN1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000354812016 404029673 /nfs/dbraw/zinc/02/96/73/404029673.db2.gz XHDYRPBRNUXVBZ-IRXDYDNUSA-N 1 3 303.450 2.280 20 0 DEADHO CC[C@H]1CCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000354812016 404029680 /nfs/dbraw/zinc/02/96/80/404029680.db2.gz XHDYRPBRNUXVBZ-IRXDYDNUSA-N 1 3 303.450 2.280 20 0 DEADHO CC[C@H]1CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000354812016 404029685 /nfs/dbraw/zinc/02/96/85/404029685.db2.gz XHDYRPBRNUXVBZ-IRXDYDNUSA-N 1 3 303.450 2.280 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C)N1CCCCC1 ZINC000362600598 403973033 /nfs/dbraw/zinc/97/30/33/403973033.db2.gz FWNPSBQBSPVRFQ-BRWVUGGUSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C)N1CCCCC1 ZINC000362600598 403973040 /nfs/dbraw/zinc/97/30/40/403973040.db2.gz FWNPSBQBSPVRFQ-BRWVUGGUSA-N 1 3 309.498 2.342 20 0 DEADHO C[C@H]1C[C@@H](N(C)C(=O)C2(N)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000296086590 404087157 /nfs/dbraw/zinc/08/71/57/404087157.db2.gz QYTNVYUPFHSXSR-RDJZCZTQSA-N 1 3 315.461 2.379 20 0 DEADHO C[C@H]1C[C@@H](N(C)C(=O)C2(N)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000296086590 404087160 /nfs/dbraw/zinc/08/71/60/404087160.db2.gz QYTNVYUPFHSXSR-RDJZCZTQSA-N 1 3 315.461 2.379 20 0 DEADHO CCN(CCC[NH+](CC)CC)C(=O)c1ccc2c(c1)CNC2 ZINC000319294699 404053399 /nfs/dbraw/zinc/05/33/99/404053399.db2.gz ZYZVVTPQNFBKHU-UHFFFAOYSA-N 1 3 303.450 2.484 20 0 DEADHO C[C@H](CNC[C@@H](O)COCc1ccccc1F)C[NH+]1CCCC1 ZINC000320704917 404069027 /nfs/dbraw/zinc/06/90/27/404069027.db2.gz JDEZNSLGMKXCRB-NVXWUHKLSA-N 1 3 324.440 2.025 20 0 DEADHO C[C@H](C[NH2+]C[C@@H](O)COCc1ccccc1F)CN1CCCC1 ZINC000320704917 404069033 /nfs/dbraw/zinc/06/90/33/404069033.db2.gz JDEZNSLGMKXCRB-NVXWUHKLSA-N 1 3 324.440 2.025 20 0 DEADHO CCc1cccc(OC[C@H](O)C[NH2+]C[C@@H](C)CN2CCCC2)c1 ZINC000320724552 404069228 /nfs/dbraw/zinc/06/92/28/404069228.db2.gz MMVQHLKACNJJOD-SJLPKXTDSA-N 1 3 320.477 2.310 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000354874883 404072069 /nfs/dbraw/zinc/07/20/69/404072069.db2.gz JAOYEGOIORQIAQ-ZACQAIPSSA-N 1 3 322.497 2.177 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000354874883 404072079 /nfs/dbraw/zinc/07/20/79/404072079.db2.gz JAOYEGOIORQIAQ-ZACQAIPSSA-N 1 3 322.497 2.177 20 0 DEADHO CC(C)[C@H](C(=O)N(C)CC1CC[NH+](C)CC1)N1CCCCC1 ZINC000354874924 404072360 /nfs/dbraw/zinc/07/23/60/404072360.db2.gz AARMVEDGPSCBBN-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO COCCOc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000290312047 404119977 /nfs/dbraw/zinc/11/99/77/404119977.db2.gz CFEXHPMPEINFDC-YJBOKZPZSA-N 1 3 306.450 2.484 20 0 DEADHO COCCOc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000290312047 404119983 /nfs/dbraw/zinc/11/99/83/404119983.db2.gz CFEXHPMPEINFDC-YJBOKZPZSA-N 1 3 306.450 2.484 20 0 DEADHO CN(C)CCOc1cccc(C[NH2+]C[C@H](O)CC(F)(F)F)c1 ZINC000567261841 292301511 /nfs/dbraw/zinc/30/15/11/292301511.db2.gz QXRIJLMRLVQANP-CYBMUJFWSA-N 1 3 320.355 2.030 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000337640881 404153008 /nfs/dbraw/zinc/15/30/08/404153008.db2.gz UKUJUPIAGFAIJP-CRAIPNDOSA-N 1 3 305.466 2.444 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)c1ccsc1 ZINC000341770381 404161211 /nfs/dbraw/zinc/16/12/11/404161211.db2.gz NNBNAFBFOUZLPW-VNQPRFMTSA-N 1 3 323.506 2.445 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)c1ccsc1 ZINC000341770381 404161223 /nfs/dbraw/zinc/16/12/23/404161223.db2.gz NNBNAFBFOUZLPW-VNQPRFMTSA-N 1 3 323.506 2.445 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000349952607 404271806 /nfs/dbraw/zinc/27/18/06/404271806.db2.gz QLALIHLZWXENBF-DOTOQJQBSA-N 1 3 322.497 2.177 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000349952607 404271814 /nfs/dbraw/zinc/27/18/14/404271814.db2.gz QLALIHLZWXENBF-DOTOQJQBSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H](CC1CCOCC1)C[NH+]1CCC(OCCN(C)C)CC1 ZINC000349972882 404279641 /nfs/dbraw/zinc/27/96/41/404279641.db2.gz UJTURQPXKGJJPF-INIZCTEOSA-N 1 3 312.498 2.482 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000344729524 404336612 /nfs/dbraw/zinc/33/66/12/404336612.db2.gz MZZYLVMUDFJLDM-OAGGEKHMSA-N 1 3 307.482 2.192 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000344729524 404336618 /nfs/dbraw/zinc/33/66/18/404336618.db2.gz MZZYLVMUDFJLDM-OAGGEKHMSA-N 1 3 307.482 2.192 20 0 DEADHO C[C@H]1CCN(C)CCN1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000350050882 404306299 /nfs/dbraw/zinc/30/62/99/404306299.db2.gz SCSUMSHPDCLVKE-KRWDZBQOSA-N 1 3 324.513 2.378 20 0 DEADHO C[C@H](CC[NH+](C)C)NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000344699389 404315418 /nfs/dbraw/zinc/31/54/18/404315418.db2.gz NKNRLSCSNVIQRT-OAHLLOKOSA-N 1 3 312.502 2.090 20 0 DEADHO C[C@H]1[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CCCN1C ZINC000338542450 404393379 /nfs/dbraw/zinc/39/33/79/404393379.db2.gz OWZAZKOLGGMLKL-YJBOKZPZSA-N 1 3 315.461 2.495 20 0 DEADHO C[C@H](CC(=O)N1CCCCCC1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000370676326 404402041 /nfs/dbraw/zinc/40/20/41/404402041.db2.gz JMXIWAWQDKVAIA-IKGGRYGDSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@H](CC(=O)N1CCCCCC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000370676326 404402049 /nfs/dbraw/zinc/40/20/49/404402049.db2.gz JMXIWAWQDKVAIA-IKGGRYGDSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@@H]1C[C@H](C(=O)N2CCCN(CC3CCC3)CC2)CC[N@@H+]1C ZINC000351052405 404506432 /nfs/dbraw/zinc/50/64/32/404506432.db2.gz KPOUSDCDVLOVMV-NVXWUHKLSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1C[C@H](C(=O)N2CCCN(CC3CCC3)CC2)CC[N@H+]1C ZINC000351052405 404506437 /nfs/dbraw/zinc/50/64/37/404506437.db2.gz KPOUSDCDVLOVMV-NVXWUHKLSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H](N[C@H]1C=C[C@H](CO)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000345048728 404516009 /nfs/dbraw/zinc/51/60/09/404516009.db2.gz FFAMVLSOWUCXQW-ZOBUZTSGSA-N 1 3 304.434 2.215 20 0 DEADHO CCCC[N@H+](C)CCNC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000352675726 404539029 /nfs/dbraw/zinc/53/90/29/404539029.db2.gz GBWIHRMNOANAIH-MRXNPFEDSA-N 1 3 312.502 2.138 20 0 DEADHO CCCC[N@@H+](C)CCNC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000352675726 404539030 /nfs/dbraw/zinc/53/90/30/404539030.db2.gz GBWIHRMNOANAIH-MRXNPFEDSA-N 1 3 312.502 2.138 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000567469027 292315963 /nfs/dbraw/zinc/31/59/63/292315963.db2.gz MJDWQKZUYXWKDK-JKQORVJESA-N 1 3 318.465 2.074 20 0 DEADHO CC(C)[C@@H](N)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000292043650 404641432 /nfs/dbraw/zinc/64/14/32/404641432.db2.gz IKMRZSRACLELKB-RYQLBKOJSA-N 1 3 317.477 2.481 20 0 DEADHO CC(C)[C@@H](N)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000292043650 404641436 /nfs/dbraw/zinc/64/14/36/404641436.db2.gz IKMRZSRACLELKB-RYQLBKOJSA-N 1 3 317.477 2.481 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](NC[C@H](c2ccc(F)cc2)N2CCOCC2)C1 ZINC000567487750 292318010 /nfs/dbraw/zinc/31/80/10/292318010.db2.gz YXQOBZJMGBENIY-FGTMMUONSA-N 1 3 321.440 2.059 20 0 DEADHO CC[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(F)cn1 ZINC000352784467 404618598 /nfs/dbraw/zinc/61/85/98/404618598.db2.gz UURJQCHBKWVUGJ-INIZCTEOSA-N 1 3 308.445 2.287 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000352899742 404686749 /nfs/dbraw/zinc/68/67/49/404686749.db2.gz IFIOLWRCLUXIHP-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000352899742 404686751 /nfs/dbraw/zinc/68/67/51/404686751.db2.gz IFIOLWRCLUXIHP-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H]1C[C@H](CN2CCN(CCc3ccccc3)CC2)CC[NH2+]1 ZINC000414682200 404706951 /nfs/dbraw/zinc/70/69/51/404706951.db2.gz QXHHCNDXDIPXAO-PKOBYXMFSA-N 1 3 301.478 2.235 20 0 DEADHO CC[C@@H](C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000374159913 404700375 /nfs/dbraw/zinc/70/03/75/404700375.db2.gz GUHYDPIAFDDJAE-PKOBYXMFSA-N 1 3 317.477 2.355 20 0 DEADHO CC[C@@H](C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000374159913 404700376 /nfs/dbraw/zinc/70/03/76/404700376.db2.gz GUHYDPIAFDDJAE-PKOBYXMFSA-N 1 3 317.477 2.355 20 0 DEADHO CC(C)N1CCC[C@H](N2CCCC3(CC[NH+](C)CC3)C2)C1=O ZINC000374179026 404700637 /nfs/dbraw/zinc/70/06/37/404700637.db2.gz ZUJZIZPQRCOUBA-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO c1nc(C2CCCC2)sc1CNCCCN1CC[NH2+]CC1 ZINC000414785584 404734553 /nfs/dbraw/zinc/73/45/53/404734553.db2.gz VQWUDNAWDDKIEQ-UHFFFAOYSA-N 1 3 308.495 2.186 20 0 DEADHO NC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000414795339 404737727 /nfs/dbraw/zinc/73/77/27/404737727.db2.gz GSECEKLBAWPCHM-FUHWJXTLSA-N 1 3 302.466 2.153 20 0 DEADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@@H](C[NH3+])C1CC1 ZINC000414807896 404739477 /nfs/dbraw/zinc/73/94/77/404739477.db2.gz RRLIVQCBNOINPG-WBMJQRKESA-N 1 3 323.868 2.404 20 0 DEADHO c1ccc(OC2CCCC2)c(CNCCN2CC[NH2+]CC2)c1 ZINC000414860207 404751147 /nfs/dbraw/zinc/75/11/47/404751147.db2.gz BZRVYTHJWWAOOT-UHFFFAOYSA-N 1 3 303.450 2.003 20 0 DEADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC[C@@H](C)C[NH3+] ZINC000414872011 404754024 /nfs/dbraw/zinc/75/40/24/404754024.db2.gz DWJNKCAATAPISJ-QWHCGFSZSA-N 1 3 311.857 2.261 20 0 DEADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H](C)CN ZINC000414872011 404754028 /nfs/dbraw/zinc/75/40/28/404754028.db2.gz DWJNKCAATAPISJ-QWHCGFSZSA-N 1 3 311.857 2.261 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000358105757 404754399 /nfs/dbraw/zinc/75/43/99/404754399.db2.gz ISUYCXRQXGAHPA-GOEBONIOSA-N 1 3 310.486 2.031 20 0 DEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000358105757 404754400 /nfs/dbraw/zinc/75/44/00/404754400.db2.gz ISUYCXRQXGAHPA-GOEBONIOSA-N 1 3 310.486 2.031 20 0 DEADHO CCC([NH3+])(CC)CNC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000414880187 404756674 /nfs/dbraw/zinc/75/66/74/404756674.db2.gz JFMYITCFFILYQI-UHFFFAOYSA-N 1 3 322.453 2.266 20 0 DEADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC[C@H]2CCSC2)cc1 ZINC000414892665 404760403 /nfs/dbraw/zinc/76/04/03/404760403.db2.gz XHIFKDLXBOHHEU-XOKHGSTOSA-N 1 3 306.475 2.483 20 0 DEADHO O=C(NC1CC1)[C@@H](c1ccccc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358511722 404765011 /nfs/dbraw/zinc/76/50/11/404765011.db2.gz SUXNIATXWOOAIQ-QGZVFWFLSA-N 1 3 313.445 2.082 20 0 DEADHO CC1(C)CCC[NH2+][C@@H]1CNC1CCN(C(=O)c2ccoc2)CC1 ZINC000414926789 404767843 /nfs/dbraw/zinc/76/78/43/404767843.db2.gz KXPIWQPBVBRMFW-MRXNPFEDSA-N 1 3 319.449 2.252 20 0 DEADHO CCN(CC(=O)Nc1cccc(OC)c1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414709132 404713672 /nfs/dbraw/zinc/71/36/72/404713672.db2.gz RAZWCKINBUQHRW-CABCVRRESA-N 1 3 319.449 2.344 20 0 DEADHO COc1ccc(CNCCC[C@@H]2CCC[NH2+]2)c(OC)c1OC ZINC000414966139 404777786 /nfs/dbraw/zinc/77/77/86/404777786.db2.gz GBWLKFGNVZGBFW-CQSZACIVSA-N 1 3 308.422 2.334 20 0 DEADHO COc1cc(OC)c(CNC[C@@H]2CCC[C@H]([NH3+])C2)c(OC)c1 ZINC000415003786 404786178 /nfs/dbraw/zinc/78/61/78/404786178.db2.gz XKNZAYXAFNRNSI-OLZOCXBDSA-N 1 3 308.422 2.320 20 0 DEADHO Cc1nn(C)c(OCC(F)(F)F)c1CN[C@H](C)CCCC[NH3+] ZINC000415022648 404789640 /nfs/dbraw/zinc/78/96/40/404789640.db2.gz ZXUUXBZMQBFLHR-SNVBAGLBSA-N 1 3 322.375 2.277 20 0 DEADHO Cc1ccc2[nH]c3c(c2c1)C[C@H](NC[C@@H]1C[NH2+]CCCO1)CC3 ZINC000415033320 404791983 /nfs/dbraw/zinc/79/19/83/404791983.db2.gz GXVGMEPMSRCKQV-CABCVRRESA-N 1 3 313.445 2.302 20 0 DEADHO CN1CC[C@]2(CC[N@H+](Cc3ccccc3N3CCOCC3)C2)C1 ZINC000366492671 404802261 /nfs/dbraw/zinc/80/22/61/404802261.db2.gz WFQMWJBNNZNQQG-IBGZPJMESA-N 1 3 315.461 2.051 20 0 DEADHO CN1CC[C@]2(CC[N@@H+](Cc3ccccc3N3CCOCC3)C2)C1 ZINC000366492671 404802265 /nfs/dbraw/zinc/80/22/65/404802265.db2.gz WFQMWJBNNZNQQG-IBGZPJMESA-N 1 3 315.461 2.051 20 0 DEADHO CC[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccc(C)cc1 ZINC000415081377 404802928 /nfs/dbraw/zinc/80/29/28/404802928.db2.gz MUHCHQPRKBXAHF-DOTOQJQBSA-N 1 3 303.450 2.233 20 0 DEADHO C[C@@H](C[C@@H]1CCC[NH2+]1)NCC1(N2CCOCC2)CCCCC1 ZINC000415097712 404806736 /nfs/dbraw/zinc/80/67/36/404806736.db2.gz DDHNTHDXWHCBRY-IRXDYDNUSA-N 1 3 309.498 2.142 20 0 DEADHO COc1ccsc1CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415104544 404808220 /nfs/dbraw/zinc/80/82/20/404808220.db2.gz HCXQBUIUWWZIPO-CJNGLKHVSA-N 1 3 310.463 2.475 20 0 DEADHO C[C@H](NC[C@@H]1C[C@H](F)CN1Cc1cccs1)[C@@H]1CC[NH2+]C1 ZINC000415108674 404809707 /nfs/dbraw/zinc/80/97/07/404809707.db2.gz QJWFZFJZFLXXHZ-XGUBFFRZSA-N 1 3 311.470 2.248 20 0 DEADHO NCc1cn([C@@H]2CCC[N@@H+](Cc3cccc4cccnc43)C2)nn1 ZINC000415135485 404815587 /nfs/dbraw/zinc/81/55/87/404815587.db2.gz WRUZPQGLMQDKML-QGZVFWFLSA-N 1 3 322.416 2.122 20 0 DEADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N(C)CCN1CCCC1 ZINC000353427347 404828509 /nfs/dbraw/zinc/82/85/09/404828509.db2.gz VPCAFPXRDOVQBI-ZACQAIPSSA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCCN(C2CCCC2)CC1 ZINC000353448443 404833994 /nfs/dbraw/zinc/83/39/94/404833994.db2.gz MNNSDDMOUIQWPF-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@H](C(=O)Nc1cnc2c(c1)C[NH2+]CC2)N1CCCCC1 ZINC000361028822 404886340 /nfs/dbraw/zinc/88/63/40/404886340.db2.gz ITQNODICAKHVDQ-QGZVFWFLSA-N 1 3 316.449 2.176 20 0 DEADHO C[C@H]1C[C@H](NC(=O)Nc2ccccc2CCN(C)C)CC[NH2+]1 ZINC000415586028 404889558 /nfs/dbraw/zinc/88/95/58/404889558.db2.gz XXYYIQMTQLGQTR-DZGCQCFKSA-N 1 3 304.438 2.053 20 0 DEADHO C[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)C1(C)CC1 ZINC000360942766 404857323 /nfs/dbraw/zinc/85/73/23/404857323.db2.gz QRKKARRSPXXFHK-MRXNPFEDSA-N 1 3 302.466 2.372 20 0 DEADHO CCN(Cc1ccc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cc1)C1CC1 ZINC000423971401 404953291 /nfs/dbraw/zinc/95/32/91/404953291.db2.gz HABMBKMALQTHOV-GUYCJALGSA-N 1 3 301.434 2.090 20 0 DEADHO C[C@H](NC(=O)Nc1ccc2c(c1)CNCC2)C(C)(C)C[NH+](C)C ZINC000415886634 404962895 /nfs/dbraw/zinc/96/28/95/404962895.db2.gz VJHRHGUTEQMYDP-ZDUSSCGKSA-N 1 3 318.465 2.430 20 0 DEADHO C[C@@H]1CC[C@H]([NH2+]CC(=O)NCCN2CCCCCC2)[C@@H](C)C1 ZINC000353668837 404911337 /nfs/dbraw/zinc/91/13/37/404911337.db2.gz BAPJUYJDFKRXMQ-IKGGRYGDSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@H](CCc1ccc(F)cc1F)[NH2+]CCOCCN(C)C ZINC000353669834 404911689 /nfs/dbraw/zinc/91/16/89/404911689.db2.gz JGJOWKKSWYDRTL-CYBMUJFWSA-N 1 3 300.393 2.454 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)N1CCN[C@H](C)[C@@H]1C)CC(C)C ZINC000416943023 404969791 /nfs/dbraw/zinc/96/97/91/404969791.db2.gz BRXKNANQKSBQCT-PMPSAXMXSA-N 1 3 312.502 2.135 20 0 DEADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000416804023 404917629 /nfs/dbraw/zinc/91/76/29/404917629.db2.gz JRMRZMYMIWBTFQ-IRXDYDNUSA-N 1 3 320.481 2.304 20 0 DEADHO CCc1ccc([C@H](CNC(=O)NC[C@H](C)C[NH2+]C)N(C)C)cc1 ZINC000416832528 404928184 /nfs/dbraw/zinc/92/81/84/404928184.db2.gz BZFXAEFGVRNXFA-PBHICJAKSA-N 1 3 320.481 2.006 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2CCOC[C@H](C)C2)CC1 ZINC000353704276 404931820 /nfs/dbraw/zinc/93/18/20/404931820.db2.gz AJWZXWNEYTWZQK-QGZVFWFLSA-N 1 3 317.477 2.297 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2CCOC[C@H](C)C2)CC1 ZINC000353704276 404931823 /nfs/dbraw/zinc/93/18/23/404931823.db2.gz AJWZXWNEYTWZQK-QGZVFWFLSA-N 1 3 317.477 2.297 20 0 DEADHO CC1CC[NH+](CCCNC(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000416874275 404944937 /nfs/dbraw/zinc/94/49/37/404944937.db2.gz PFGQCBJTWRTLAK-KRWDZBQOSA-N 1 3 318.465 2.108 20 0 DEADHO O=C(Nc1ccc2c(c1)CNC2)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000415999473 405002466 /nfs/dbraw/zinc/00/24/66/405002466.db2.gz VLZWEIOLCJAORZ-KRWDZBQOSA-N 1 3 314.433 2.382 20 0 DEADHO [NH3+][C@@H](CCC(=O)N[C@@H]1CCN(C2CC2)C1)CC1CCCCC1 ZINC000424157137 405025651 /nfs/dbraw/zinc/02/56/51/405025651.db2.gz PHXHKBQKACUKHB-JKSUJKDBSA-N 1 3 307.482 2.417 20 0 DEADHO C[C@@H](CCC[NH3+])NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000417087920 405031641 /nfs/dbraw/zinc/03/16/41/405031641.db2.gz IQSZXOFZDWAGSW-RDJZCZTQSA-N 1 3 318.465 2.078 20 0 DEADHO CCOC1CC(C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)C1 ZINC000367224353 404973145 /nfs/dbraw/zinc/97/31/45/404973145.db2.gz NFEXSDJURLUIKH-UHFFFAOYSA-N 1 3 323.525 2.292 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000424031714 404976450 /nfs/dbraw/zinc/97/64/50/404976450.db2.gz BFJVCGSLBBFZQB-ZRZKVPHGSA-N 1 3 319.493 2.129 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000353983709 404983596 /nfs/dbraw/zinc/98/35/96/404983596.db2.gz NUQNREPJVHPBOZ-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000353983709 404983598 /nfs/dbraw/zinc/98/35/98/404983598.db2.gz NUQNREPJVHPBOZ-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1CCC2(CC[NH2+]2)CC1 ZINC000424056696 404987981 /nfs/dbraw/zinc/98/79/81/404987981.db2.gz SOQQSBSBZQYFTQ-KRWDZBQOSA-N 1 3 313.445 2.006 20 0 DEADHO C[C@H](CNC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+])N1CCC[C@@H](C)C1 ZINC000417003165 404994825 /nfs/dbraw/zinc/99/48/25/404994825.db2.gz BFDJNCOCDUUSNX-LVQVYYBASA-N 1 3 310.486 2.018 20 0 DEADHO CC(C)[C@@H](CNC(=O)N1CCN[C@@H](C)[C@H]1C)[NH+]1CCC(C)CC1 ZINC000417012104 405000587 /nfs/dbraw/zinc/00/05/87/405000587.db2.gz VQQRVXVBTRSRMZ-GVDBMIGSSA-N 1 3 324.513 2.135 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415995792 405000945 /nfs/dbraw/zinc/00/09/45/405000945.db2.gz LQJQOUHPUXFRSO-MRXNPFEDSA-N 1 3 302.422 2.238 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415995792 405000951 /nfs/dbraw/zinc/00/09/51/405000951.db2.gz LQJQOUHPUXFRSO-MRXNPFEDSA-N 1 3 302.422 2.238 20 0 DEADHO C[C@H](C[NH3+])CNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000417740738 405095137 /nfs/dbraw/zinc/09/51/37/405095137.db2.gz SCRIKYZWJBQJJK-UMVBOHGHSA-N 1 3 324.494 2.025 20 0 DEADHO C[C@H](C[NH3+])N(C)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000417737745 405095584 /nfs/dbraw/zinc/09/55/84/405095584.db2.gz OEGXUBLDXJAEJK-UMVBOHGHSA-N 1 3 324.494 2.120 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000389932013 405041905 /nfs/dbraw/zinc/04/19/05/405041905.db2.gz LIUGGNKOVLMBQD-NUJGCVRESA-N 1 3 315.461 2.013 20 0 DEADHO C[C@H](C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)[C@H](N)c1ccccc1 ZINC000424225139 405042948 /nfs/dbraw/zinc/04/29/48/405042948.db2.gz PFMUTBAESLRNGY-ZOBUZTSGSA-N 1 3 315.461 2.313 20 0 DEADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)[C@@H]1CCCCC[NH2+]1 ZINC000390755581 405047260 /nfs/dbraw/zinc/04/72/60/405047260.db2.gz VRJMUZIMBMIUJP-MSOLQXFVSA-N 1 3 315.461 2.299 20 0 DEADHO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424335906 405071277 /nfs/dbraw/zinc/07/12/77/405071277.db2.gz PQXRVHWASFICCR-DAXOMENPSA-N 1 3 307.413 2.205 20 0 DEADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)N(C)C)cc1 ZINC000417301699 405085545 /nfs/dbraw/zinc/08/55/45/405085545.db2.gz BVAWSWYEUGEUIB-OIISXLGYSA-N 1 3 318.465 2.037 20 0 DEADHO CC[NH2+]CC1CCN(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000417324430 405087154 /nfs/dbraw/zinc/08/71/54/405087154.db2.gz IVUFCWCGWKTJTK-CVEARBPZSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](CCNC(=O)NC[C@@H](N)c1ccccc1)[NH+]1CCCCC1 ZINC000418022468 405108899 /nfs/dbraw/zinc/10/88/99/405108899.db2.gz RDNNZUXUOWBGPP-NVXWUHKLSA-N 1 3 318.465 2.250 20 0 DEADHO CC[C@@H]([NH3+])CNC(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000418033747 405108952 /nfs/dbraw/zinc/10/89/52/405108952.db2.gz NRWARGLCYNIVLG-SJORKVTESA-N 1 3 320.481 2.180 20 0 DEADHO CSc1ccc([C@@H](CNC(=O)N[C@@H](C)CC[NH3+])N(C)C)cc1 ZINC000418230815 405118178 /nfs/dbraw/zinc/11/81/78/405118178.db2.gz JVBGFPJRIYDQBQ-SWLSCSKDSA-N 1 3 324.494 2.048 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000418646437 405147676 /nfs/dbraw/zinc/14/76/76/405147676.db2.gz FJOGNRFSYWAUQN-UKPHBRMFSA-N 1 3 318.465 2.018 20 0 DEADHO CN(CCN(C)C1CC1)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418654088 405151918 /nfs/dbraw/zinc/15/19/18/405151918.db2.gz BPWNODQPQCBMDR-QGZVFWFLSA-N 1 3 318.465 2.202 20 0 DEADHO C[C@@H](CCCC[NH3+])NC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000418717684 405179466 /nfs/dbraw/zinc/17/94/66/405179466.db2.gz ZPUUZVFFZHCKRZ-JKSUJKDBSA-N 1 3 310.486 2.164 20 0 DEADHO COc1cc2nccc(NCC3([NH+](C)C)CC3)c2cc1OC ZINC000419011393 405219526 /nfs/dbraw/zinc/21/95/26/405219526.db2.gz RZYYVVZQAOJANS-UHFFFAOYSA-N 1 3 301.390 2.180 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCN(C2CC2)C[C@H](C)C1)[NH+]1CCCCC1 ZINC000452567456 405208198 /nfs/dbraw/zinc/20/81/98/405208198.db2.gz DACVYCOFUAYKJA-WMZOPIPTSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H](CCCC[NH3+])NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000418691574 405168617 /nfs/dbraw/zinc/16/86/17/405168617.db2.gz HUGKFABPNOJPPA-CGZBRXJRSA-N 1 3 324.513 2.410 20 0 DEADHO C[C@H](CCCC[NH3+])NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000418696910 405171180 /nfs/dbraw/zinc/17/11/80/405171180.db2.gz NAIHYNUGTFEBCV-OAHLLOKOSA-N 1 3 312.502 2.267 20 0 DEADHO C[C@@H](CCC[NH3+])NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000418712790 405177513 /nfs/dbraw/zinc/17/75/13/405177513.db2.gz WACZRNACBJRFNZ-INIZCTEOSA-N 1 3 318.465 2.031 20 0 DEADHO COC[C@H](O)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453127216 405284934 /nfs/dbraw/zinc/28/49/34/405284934.db2.gz RGAGUKKHJYTDQK-FCGDIQPGSA-N 1 3 318.461 2.027 20 0 DEADHO COC[C@H](O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453127216 405284937 /nfs/dbraw/zinc/28/49/37/405284937.db2.gz RGAGUKKHJYTDQK-FCGDIQPGSA-N 1 3 318.461 2.027 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CCCN1C1CCCC1)C[NH+]1CCCC1 ZINC000438538525 405250266 /nfs/dbraw/zinc/25/02/66/405250266.db2.gz CERYNKUVLAVGHQ-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO O=C(NC1CCN(C2CC2)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000438577743 405251595 /nfs/dbraw/zinc/25/15/95/405251595.db2.gz URVMMYNPTOFYLI-QGZVFWFLSA-N 1 3 305.466 2.136 20 0 DEADHO O=C(NC1CCN(C2CC2)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000438577743 405251596 /nfs/dbraw/zinc/25/15/96/405251596.db2.gz URVMMYNPTOFYLI-QGZVFWFLSA-N 1 3 305.466 2.136 20 0 DEADHO CO[C@]1(C)C[C@@H]([N@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)C1(C)C ZINC000420301123 405311448 /nfs/dbraw/zinc/31/14/48/405311448.db2.gz LAXYAQPHNUWFHP-IMBTUZDBSA-N 1 3 320.477 2.053 20 0 DEADHO CO[C@]1(C)C[C@@H]([N@@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)C1(C)C ZINC000420301123 405311450 /nfs/dbraw/zinc/31/14/50/405311450.db2.gz LAXYAQPHNUWFHP-IMBTUZDBSA-N 1 3 320.477 2.053 20 0 DEADHO CO[C@]1(C)C[C@@H](N(C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1(C)C ZINC000420301123 405311452 /nfs/dbraw/zinc/31/14/52/405311452.db2.gz LAXYAQPHNUWFHP-IMBTUZDBSA-N 1 3 320.477 2.053 20 0 DEADHO Cc1ccc2oc(N3CCN(CC[C@@H]4CC[NH2+]C4)CC3)nc2c1 ZINC000420309248 405314020 /nfs/dbraw/zinc/31/40/20/405314020.db2.gz DTNDISWGMDBKIN-HNNXBMFYSA-N 1 3 314.433 2.258 20 0 DEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000420325100 405320310 /nfs/dbraw/zinc/32/03/10/405320310.db2.gz WGUGXTHWCGOZIA-HKBOAZHASA-N 1 3 324.468 2.482 20 0 DEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000420325100 405320311 /nfs/dbraw/zinc/32/03/11/405320311.db2.gz WGUGXTHWCGOZIA-HKBOAZHASA-N 1 3 324.468 2.482 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@@H](n3cccn3)C2)cc1 ZINC000420328156 405321358 /nfs/dbraw/zinc/32/13/58/405321358.db2.gz ZMEJGWAMMQMOKS-IAGOWNOFSA-N 1 3 314.433 2.271 20 0 DEADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H](n3cccn3)C2)cc1 ZINC000420328156 405321359 /nfs/dbraw/zinc/32/13/59/405321359.db2.gz ZMEJGWAMMQMOKS-IAGOWNOFSA-N 1 3 314.433 2.271 20 0 DEADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H](n3cccn3)C2)cc1 ZINC000420328156 405321360 /nfs/dbraw/zinc/32/13/60/405321360.db2.gz ZMEJGWAMMQMOKS-IAGOWNOFSA-N 1 3 314.433 2.271 20 0 DEADHO CC1CCC(NC(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000420330624 405321975 /nfs/dbraw/zinc/32/19/75/405321975.db2.gz AZHQRRDWBJHGGV-JCCCHCCOSA-N 1 3 307.482 2.003 20 0 DEADHO C[C@H](C(=O)NCC1CCCCC1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420345959 405326979 /nfs/dbraw/zinc/32/69/79/405326979.db2.gz WZDGUTKUADYWNC-BPQIPLTHSA-N 1 3 321.509 2.393 20 0 DEADHO CC[C@H]1CCCCN1C(=O)[C@@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420345135 405327351 /nfs/dbraw/zinc/32/73/51/405327351.db2.gz VISUUUBBFPCOPN-NCOADZHNSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1C[C@H](C[NH3+])CN1CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000442792821 405336448 /nfs/dbraw/zinc/33/64/48/405336448.db2.gz RAUHEKPMRDUXFM-RKVPGOIHSA-N 1 3 315.461 2.239 20 0 DEADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000442792821 405336451 /nfs/dbraw/zinc/33/64/51/405336451.db2.gz RAUHEKPMRDUXFM-RKVPGOIHSA-N 1 3 315.461 2.239 20 0 DEADHO C[C@@H]1C[C@H](CN)C[N@H+]1CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000442792821 405336454 /nfs/dbraw/zinc/33/64/54/405336454.db2.gz RAUHEKPMRDUXFM-RKVPGOIHSA-N 1 3 315.461 2.239 20 0 DEADHO C[C@H]1CCN(CCC(=O)Nc2cc(F)cc(F)c2)C[C@@H]1C[NH3+] ZINC000420418637 405347916 /nfs/dbraw/zinc/34/79/16/405347916.db2.gz XCBDPCHJRUTJIZ-RYUDHWBXSA-N 1 3 311.376 2.210 20 0 DEADHO C[N@H+](CCNC(=O)[C@H]1CCCN1C1CCCC1)C1CCCC1 ZINC000439829043 405293498 /nfs/dbraw/zinc/29/34/98/405293498.db2.gz LBGTZUGZVUGMCW-QGZVFWFLSA-N 1 3 307.482 2.384 20 0 DEADHO C[N@@H+](CCNC(=O)[C@H]1CCCN1C1CCCC1)C1CCCC1 ZINC000439829043 405293500 /nfs/dbraw/zinc/29/35/00/405293500.db2.gz LBGTZUGZVUGMCW-QGZVFWFLSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@@H]1CC[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)[C@H](C)C1 ZINC000414195357 296732427 /nfs/dbraw/zinc/73/24/27/296732427.db2.gz NZWHIQVFZFBJFG-KURKYZTESA-N 1 3 323.525 2.197 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000420789809 405385202 /nfs/dbraw/zinc/38/52/02/405385202.db2.gz YGNNJISMJXCABO-IAGOWNOFSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000420789809 405385204 /nfs/dbraw/zinc/38/52/04/405385204.db2.gz YGNNJISMJXCABO-IAGOWNOFSA-N 1 3 324.513 2.234 20 0 DEADHO CC(C)[C@H](COCc1ccccc1)[NH2+]CC1(O)CCN(C)CC1 ZINC000446832668 405394227 /nfs/dbraw/zinc/39/42/27/405394227.db2.gz QDHYOVSUTGMTDL-SFHVURJKSA-N 1 3 320.477 2.274 20 0 DEADHO CCN1CCC([N@@H+]2CCCN(CCCCCOC)CC2)CC1 ZINC000420975424 405418600 /nfs/dbraw/zinc/41/86/00/405418600.db2.gz FXZZMFZRGYFGRZ-UHFFFAOYSA-N 1 3 311.514 2.295 20 0 DEADHO CCN1CCC([N@H+]2CCCN(CCCCCOC)CC2)CC1 ZINC000420975424 405418601 /nfs/dbraw/zinc/41/86/01/405418601.db2.gz FXZZMFZRGYFGRZ-UHFFFAOYSA-N 1 3 311.514 2.295 20 0 DEADHO O=C(NCCC[NH+]1CCCC1)[C@@H]1CCCCN1C1CCCC1 ZINC000448597556 405425178 /nfs/dbraw/zinc/42/51/78/405425178.db2.gz PDVBCEJYDGXLQM-KRWDZBQOSA-N 1 3 307.482 2.386 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCC2(N(C)C)CCC2)C1 ZINC000445876553 405360036 /nfs/dbraw/zinc/36/00/36/405360036.db2.gz XAXPLYBWZQIVCH-MRXNPFEDSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCC2(N(C)C)CCC2)C1 ZINC000445876553 405360039 /nfs/dbraw/zinc/36/00/39/405360039.db2.gz XAXPLYBWZQIVCH-MRXNPFEDSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000454629612 405374916 /nfs/dbraw/zinc/37/49/16/405374916.db2.gz ZOUVBRFUNFUXNP-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000454629612 405374919 /nfs/dbraw/zinc/37/49/19/405374919.db2.gz ZOUVBRFUNFUXNP-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO CCN(Cc1ccc(C(=O)N2CCC[C@@H]2C[NH3+])cc1)C1CC1 ZINC000429660781 405442263 /nfs/dbraw/zinc/44/22/63/405442263.db2.gz OLDFJYYECCFNCQ-QGZVFWFLSA-N 1 3 301.434 2.234 20 0 DEADHO CC(C)[C@@H]([NH3+])CCN(C)CCC(=O)N1CCc2ccccc21 ZINC000430572019 405459829 /nfs/dbraw/zinc/45/98/29/405459829.db2.gz PASRHADAXLFEOJ-INIZCTEOSA-N 1 3 303.450 2.271 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCCN(CCC(=O)N2CCc3sccc3C2)C1 ZINC000430594981 405463945 /nfs/dbraw/zinc/46/39/45/405463945.db2.gz WTAREPNJHZAXMI-KBPBESRZSA-N 1 3 321.490 2.082 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+][C@@H](C)CCCCO)CC1 ZINC000449429828 405558368 /nfs/dbraw/zinc/55/83/68/405558368.db2.gz VOPJBYGNNBXBKW-KRWDZBQOSA-N 1 3 319.493 2.469 20 0 DEADHO CN1CCC[C@H](CNC(=O)[C@]2(C)CC[NH2+]C2)[C@@H]1c1cccs1 ZINC000430807933 405510600 /nfs/dbraw/zinc/51/06/00/405510600.db2.gz VUQAZSTVMIQVTP-FRFSOERESA-N 1 3 321.490 2.247 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000430892409 405522996 /nfs/dbraw/zinc/52/29/96/405522996.db2.gz DWGLPHOOISEMTQ-NNXHMXCWSA-N 1 3 307.482 2.286 20 0 DEADHO C[C@H](CC[NH+](C)C)NC[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000577842174 405525130 /nfs/dbraw/zinc/52/51/30/405525130.db2.gz LPOLJQMEZOXMON-AYBZRNKSSA-N 1 3 320.477 2.371 20 0 DEADHO CN(CC1CCCCC1)C(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000431037592 405565368 /nfs/dbraw/zinc/56/53/68/405565368.db2.gz KQWVYJNHXIUAKX-UHFFFAOYSA-N 1 3 307.482 2.101 20 0 DEADHO C[C@@H](C(=O)NCc1ccccc1CN1CCCCC1)[C@H](C)[NH3+] ZINC000493876014 405604686 /nfs/dbraw/zinc/60/46/86/405604686.db2.gz SRWPUHZKLMOASG-CABCVRRESA-N 1 3 303.450 2.272 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000638672812 405609074 /nfs/dbraw/zinc/60/90/74/405609074.db2.gz YWKBAARTZVEBCT-UHFFFAOYSA-N 1 3 317.433 2.228 20 0 DEADHO C[C@@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)N(C)C ZINC000449555177 405613148 /nfs/dbraw/zinc/61/31/48/405613148.db2.gz FXZSCSFDPRGEJG-GDAAHCPNSA-N 1 3 301.478 2.437 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000557632544 405614009 /nfs/dbraw/zinc/61/40/09/405614009.db2.gz AMJFHQXOHZLPNZ-MRXNPFEDSA-N 1 3 307.482 2.053 20 0 DEADHO C[C@@H](CC(=O)N1CCCCCC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449561427 405615059 /nfs/dbraw/zinc/61/50/59/405615059.db2.gz UWKDWROPRDVTFZ-XYTVBORESA-N 1 3 307.482 2.382 20 0 DEADHO C[C@@H](CC(=O)N1CCCCCC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561427 405615061 /nfs/dbraw/zinc/61/50/61/405615061.db2.gz UWKDWROPRDVTFZ-XYTVBORESA-N 1 3 307.482 2.382 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C2(C[NH3+])CCCC2)C1 ZINC000431062396 405570598 /nfs/dbraw/zinc/57/05/98/405570598.db2.gz PUWYMMLJJBZLCM-NVXWUHKLSA-N 1 3 315.461 2.457 20 0 DEADHO C[N@@H+]1CCC[C@@H](CCNC(=O)Nc2cccc3c2CCNC3)C1 ZINC000557033146 405572555 /nfs/dbraw/zinc/57/25/55/405572555.db2.gz XFNYTPUJFSWIJM-AWEZNQCLSA-N 1 3 316.449 2.186 20 0 DEADHO C[N@H+]1CCC[C@@H](CCNC(=O)Nc2cccc3c2CCNC3)C1 ZINC000557033146 405572562 /nfs/dbraw/zinc/57/25/62/405572562.db2.gz XFNYTPUJFSWIJM-AWEZNQCLSA-N 1 3 316.449 2.186 20 0 DEADHO O=C(Nc1ccc2c(c1)CNC2)NC1CC[NH+](CC2CC2)CC1 ZINC000557050109 405573365 /nfs/dbraw/zinc/57/33/65/405573365.db2.gz HEIGOYSIMHPCCN-UHFFFAOYSA-N 1 3 314.433 2.286 20 0 DEADHO COC[C@H](Cc1ccccc1)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000638718319 405632672 /nfs/dbraw/zinc/63/26/72/405632672.db2.gz GIWYYRHTEKWBPV-SFHVURJKSA-N 1 3 320.477 2.069 20 0 DEADHO C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000449520125 405595662 /nfs/dbraw/zinc/59/56/62/405595662.db2.gz OGKVYZWNJIBILL-CQSZACIVSA-N 1 3 307.413 2.434 20 0 DEADHO CCN(CC)[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])c1ccccc1 ZINC000422730235 405678432 /nfs/dbraw/zinc/67/84/32/405678432.db2.gz JKYXRLSDMIJZEY-NXWXRZEISA-N 1 3 319.493 2.411 20 0 DEADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCN3CCC(O)CC3)CC2)C1 ZINC000449646924 405657554 /nfs/dbraw/zinc/65/75/54/405657554.db2.gz OUTFGQYVUCKKOB-SJLPKXTDSA-N 1 3 323.525 2.076 20 0 DEADHO CC[NH+]1CCC(N[C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)CC1 ZINC000449654681 405662435 /nfs/dbraw/zinc/66/24/35/405662435.db2.gz FIERGTRFAXWELV-IXDOHACOSA-N 1 3 320.481 2.454 20 0 DEADHO CO[C@]1(CNCC[C@H](C)[N@H+](C)Cc2ccccc2)CCOC1 ZINC000638725333 405637300 /nfs/dbraw/zinc/63/73/00/405637300.db2.gz DNBXIWIKWUKNLC-WMZOPIPTSA-N 1 3 306.450 2.292 20 0 DEADHO CO[C@]1(CNCC[C@H](C)[N@@H+](C)Cc2ccccc2)CCOC1 ZINC000638725333 405637304 /nfs/dbraw/zinc/63/73/04/405637304.db2.gz DNBXIWIKWUKNLC-WMZOPIPTSA-N 1 3 306.450 2.292 20 0 DEADHO CN(C)CCOc1ccc(NC(=O)C2(C[NH+](C)C)CC2)cc1F ZINC000636022359 405684439 /nfs/dbraw/zinc/68/44/39/405684439.db2.gz YJRJMSBZDRUHDU-UHFFFAOYSA-N 1 3 323.412 2.046 20 0 DEADHO c1c(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)nc2n1CCS2 ZINC000423067930 405700039 /nfs/dbraw/zinc/70/00/39/405700039.db2.gz IUONPCAAMULUKD-ARFHVFGLSA-N 1 3 320.506 2.432 20 0 DEADHO FC(F)(F)OCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423074986 405700395 /nfs/dbraw/zinc/70/03/95/405700395.db2.gz VWGKQCKVCDORFS-JSGCOSHPSA-N 1 3 316.323 2.368 20 0 DEADHO CC[C@H](N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423106520 405702016 /nfs/dbraw/zinc/70/20/16/405702016.db2.gz ZXJSBJXIPFWXQD-QZWWFDLISA-N 1 3 307.482 2.288 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000638834511 405702232 /nfs/dbraw/zinc/70/22/32/405702232.db2.gz GVJACLJMRXRBGT-ONIAQPFYSA-N 1 3 317.477 2.244 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000638834511 405702236 /nfs/dbraw/zinc/70/22/36/405702236.db2.gz GVJACLJMRXRBGT-ONIAQPFYSA-N 1 3 317.477 2.244 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC000457106732 405704749 /nfs/dbraw/zinc/70/47/49/405704749.db2.gz DNDSNXUIPFRYLK-QGZVFWFLSA-N 1 3 303.450 2.303 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC000457106732 405704754 /nfs/dbraw/zinc/70/47/54/405704754.db2.gz DNDSNXUIPFRYLK-QGZVFWFLSA-N 1 3 303.450 2.303 20 0 DEADHO CC1(C)CCCN[C@H]1C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000638861049 405722101 /nfs/dbraw/zinc/72/21/01/405722101.db2.gz MAJCPVOYXOXVKO-HNNXBMFYSA-N 1 3 307.482 2.242 20 0 DEADHO [NH3+]C1(CC(=O)N[C@H]2CCCCCN(Cc3ccccc3)C2)CC1 ZINC000638852215 405714787 /nfs/dbraw/zinc/71/47/87/405714787.db2.gz VWEXEROOVGTMSM-KRWDZBQOSA-N 1 3 315.461 2.429 20 0 DEADHO Clc1ccc2c(c1)[C@H](NCCN1CC[NH2+]CC1)CCS2 ZINC000423210781 405724872 /nfs/dbraw/zinc/72/48/72/405724872.db2.gz XKTHJDMLVXJTRP-CQSZACIVSA-N 1 3 311.882 2.372 20 0 DEADHO C[C@H](CC(=O)N(C)c1ccccc1)NC[C@]1(C)CCC[NH2+]C1 ZINC000423324793 405761689 /nfs/dbraw/zinc/76/16/89/405761689.db2.gz IZQYVDGIVWQXCD-CRAIPNDOSA-N 1 3 303.450 2.407 20 0 DEADHO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@]1(C)CCCNC1 ZINC000423324793 405761697 /nfs/dbraw/zinc/76/16/97/405761697.db2.gz IZQYVDGIVWQXCD-CRAIPNDOSA-N 1 3 303.450 2.407 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@]23C[C@H]2CC[NH2+]3)N2CCCC2)cc1 ZINC000423364318 405778793 /nfs/dbraw/zinc/77/87/93/405778793.db2.gz VJFDNPHCZVKBGA-LMMKCTJWSA-N 1 3 313.445 2.000 20 0 DEADHO CCN(Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1)C1CC1 ZINC000432528128 405779223 /nfs/dbraw/zinc/77/92/23/405779223.db2.gz SOBOTARSFPJIFX-RDTXWAMCSA-N 1 3 315.461 2.399 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](N)CC2CCCCC2)C1 ZINC000423412089 405796051 /nfs/dbraw/zinc/79/60/51/405796051.db2.gz WCLFCDONSYIXIQ-DLBZAZTESA-N 1 3 309.498 2.378 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H](N)CC2CCCCC2)C1 ZINC000423412089 405796057 /nfs/dbraw/zinc/79/60/57/405796057.db2.gz WCLFCDONSYIXIQ-DLBZAZTESA-N 1 3 309.498 2.378 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1)N(C)C ZINC000495163072 405829779 /nfs/dbraw/zinc/82/97/79/405829779.db2.gz GXOJRSOINVWURN-QAETUUGQSA-N 1 3 309.498 2.436 20 0 DEADHO Cc1cc([C@H](C)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)oc1C ZINC000423444597 405809255 /nfs/dbraw/zinc/80/92/55/405809255.db2.gz BCWGNZPEQNAQJH-PNPHSEOMSA-N 1 3 319.449 2.194 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000639005468 405817179 /nfs/dbraw/zinc/81/71/79/405817179.db2.gz NDTSGYUIWNEYJO-KURKYZTESA-N 1 3 315.461 2.074 20 0 DEADHO Cc1ccc(S(=O)(=O)C[C@H](C)NCCC[C@H]2CCC[NH2+]2)cc1 ZINC000423471306 405817347 /nfs/dbraw/zinc/81/73/47/405817347.db2.gz FAOCTFJSVZZYQQ-HOTGVXAUSA-N 1 3 324.490 2.279 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)C3CCC([NH3+])CC3)C2)cc1 ZINC000639006392 405818280 /nfs/dbraw/zinc/81/82/80/405818280.db2.gz WHGSEEAIACNEMN-DAWZGUTISA-N 1 3 315.461 2.203 20 0 DEADHO Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423482055 405820948 /nfs/dbraw/zinc/82/09/48/405820948.db2.gz XOYMDDCPOWPOHY-ARFHVFGLSA-N 1 3 324.490 2.264 20 0 DEADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CNCCCO2)cc1OC ZINC000423484770 405823546 /nfs/dbraw/zinc/82/35/46/405823546.db2.gz AFEWELUCYICLDT-YCPHGPKFSA-N 1 3 322.449 2.164 20 0 DEADHO COc1ccc([C@H](C)[C@H](C)NC[C@@H]2C[NH2+]CCCO2)cc1OC ZINC000423484770 405823547 /nfs/dbraw/zinc/82/35/47/405823547.db2.gz AFEWELUCYICLDT-YCPHGPKFSA-N 1 3 322.449 2.164 20 0 DEADHO C[C@H](Cc1ccc(F)cc1Br)NCC1C[NH2+]C1 ZINC000423328106 405763482 /nfs/dbraw/zinc/76/34/82/405763482.db2.gz RZQQBNMGYZEBHS-SECBINFHSA-N 1 3 301.203 2.328 20 0 DEADHO C[C@H](Cc1ccc(F)cc1Br)[NH2+]CC1CNC1 ZINC000423328106 405763486 /nfs/dbraw/zinc/76/34/86/405763486.db2.gz RZQQBNMGYZEBHS-SECBINFHSA-N 1 3 301.203 2.328 20 0 DEADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000636128899 405764059 /nfs/dbraw/zinc/76/40/59/405764059.db2.gz OOOKVRDLRFWRPB-HKUYNNGSSA-N 1 3 315.461 2.109 20 0 DEADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000636128899 405764061 /nfs/dbraw/zinc/76/40/61/405764061.db2.gz OOOKVRDLRFWRPB-HKUYNNGSSA-N 1 3 315.461 2.109 20 0 DEADHO CO[C@H](CNCCC[N@@H+]1CCCO[C@H](C)C1)Cc1ccccc1 ZINC000639121237 405899278 /nfs/dbraw/zinc/89/92/78/405899278.db2.gz OBRXAHMVFRIMGZ-MJGOQNOKSA-N 1 3 320.477 2.335 20 0 DEADHO CO[C@H](CNCCC[N@H+]1CCCO[C@H](C)C1)Cc1ccccc1 ZINC000639121237 405899286 /nfs/dbraw/zinc/89/92/86/405899286.db2.gz OBRXAHMVFRIMGZ-MJGOQNOKSA-N 1 3 320.477 2.335 20 0 DEADHO CCc1cc(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)cc[nH+]1 ZINC000450410920 405884472 /nfs/dbraw/zinc/88/44/72/405884472.db2.gz NOMDPSBKPUDARG-MOPGFXCFSA-N 1 3 311.429 2.113 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000561159694 405899509 /nfs/dbraw/zinc/89/95/09/405899509.db2.gz RRHAZXKMIDCKNL-HZPDHXFCSA-N 1 3 310.486 2.068 20 0 DEADHO CCC1([NH+]2CCCC2)CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000633955184 405929180 /nfs/dbraw/zinc/92/91/80/405929180.db2.gz NGDVTZJAHYKGIL-KRWDZBQOSA-N 1 3 319.493 2.480 20 0 DEADHO Cn1cncc1CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000459496062 405929321 /nfs/dbraw/zinc/92/93/21/405929321.db2.gz GELUKPPUYPJYBM-OALUTQOASA-N 1 3 324.472 2.417 20 0 DEADHO Cn1cncc1CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000459496062 405929325 /nfs/dbraw/zinc/92/93/25/405929325.db2.gz GELUKPPUYPJYBM-OALUTQOASA-N 1 3 324.472 2.417 20 0 DEADHO CN(C)CCN(Cc1ccccc1)C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000423733836 405933631 /nfs/dbraw/zinc/93/36/31/405933631.db2.gz QGWAPLUOVSTEQA-QGZVFWFLSA-N 1 3 317.477 2.357 20 0 DEADHO C[C@@H]([NH3+])[C@@H](C)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000423743109 405939723 /nfs/dbraw/zinc/93/97/23/405939723.db2.gz JORMFIMKYWPYHH-CHWSQXEVSA-N 1 3 311.857 2.214 20 0 DEADHO CCO[C@@H](CC[NH+](C)C)CNCc1ccc(-c2cc[nH]n2)o1 ZINC000433312374 405920430 /nfs/dbraw/zinc/92/04/30/405920430.db2.gz LRFBMJVSZMPDEK-ZDUSSCGKSA-N 1 3 306.410 2.116 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633943038 405922979 /nfs/dbraw/zinc/92/29/79/405922979.db2.gz YZOVZAQCFXJTLN-MRXNPFEDSA-N 1 3 307.482 2.338 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccccc2CO)[C@@H](C)C1 ZINC000531952704 406027434 /nfs/dbraw/zinc/02/74/34/406027434.db2.gz NOOBXJRFGVVGQY-LPHOPBHVSA-N 1 3 320.477 2.406 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]1Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000568856509 292372169 /nfs/dbraw/zinc/37/21/69/292372169.db2.gz OAMAYTDZYYAPGM-MSOLQXFVSA-N 1 3 303.450 2.183 20 0 DEADHO COc1ccc([C@H](CO)CNC2CC[NH+](C(C)C)CC2)cc1 ZINC000459756398 406033576 /nfs/dbraw/zinc/03/35/76/406033576.db2.gz RAWDIUJRNAZULR-INIZCTEOSA-N 1 3 306.450 2.234 20 0 DEADHO CC(C)[C@H]([NH3+])CNC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496389172 405974130 /nfs/dbraw/zinc/97/41/30/405974130.db2.gz WRGULFWDOLMTAG-QGZVFWFLSA-N 1 3 319.449 2.361 20 0 DEADHO c1nc(CNCCCCC[NH+]2CCCC2)cc2c1OCCO2 ZINC000639210137 405976301 /nfs/dbraw/zinc/97/63/01/405976301.db2.gz IKQVOHZXAZHEGH-UHFFFAOYSA-N 1 3 305.422 2.209 20 0 DEADHO CC[N@@H+]1CC[C@H](NC[C@@H](CO)c2ccc(OC)cc2)[C@H](C)C1 ZINC000459759705 406035184 /nfs/dbraw/zinc/03/51/84/406035184.db2.gz TXAFEEOGMMCEBH-HFTRVMKXSA-N 1 3 306.450 2.091 20 0 DEADHO CC[N@H+]1CC[C@H](NC[C@@H](CO)c2ccc(OC)cc2)[C@H](C)C1 ZINC000459759705 406035189 /nfs/dbraw/zinc/03/51/89/406035189.db2.gz TXAFEEOGMMCEBH-HFTRVMKXSA-N 1 3 306.450 2.091 20 0 DEADHO CO[C@H](CNC1CC[NH+](CC(C)(C)O)CC1)Cc1ccccc1 ZINC000639220718 405983987 /nfs/dbraw/zinc/98/39/87/405983987.db2.gz XLLPQVQBRLHSQR-SFHVURJKSA-N 1 3 320.477 2.069 20 0 DEADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000433913390 405998176 /nfs/dbraw/zinc/99/81/76/405998176.db2.gz CXJLGLMOMBQYFN-WBVHZDCISA-N 1 3 322.497 2.034 20 0 DEADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000433913390 405998181 /nfs/dbraw/zinc/99/81/81/405998181.db2.gz CXJLGLMOMBQYFN-WBVHZDCISA-N 1 3 322.497 2.034 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H]2CCCN(C)C2)[C@@H](C)C1 ZINC000532506383 406081873 /nfs/dbraw/zinc/08/18/73/406081873.db2.gz UHYHFTWEQBMLJZ-BZSNNMDCSA-N 1 3 311.514 2.055 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCCNC(=O)C1 ZINC000639358740 406062981 /nfs/dbraw/zinc/06/29/81/406062981.db2.gz ATMIRNRLGLFWHF-NXHRZFHOSA-N 1 3 315.461 2.013 20 0 DEADHO CCN1CCCN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000516662345 406103199 /nfs/dbraw/zinc/10/31/99/406103199.db2.gz ZWVFSSPUWGRMME-SFHVURJKSA-N 1 3 315.461 2.063 20 0 DEADHO CCN1CCCN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000516662345 406103201 /nfs/dbraw/zinc/10/32/01/406103201.db2.gz ZWVFSSPUWGRMME-SFHVURJKSA-N 1 3 315.461 2.063 20 0 DEADHO C[C@@H](NC1CCN(C(=O)NC2CCCCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000567647159 406112526 /nfs/dbraw/zinc/11/25/26/406112526.db2.gz WVRATQCAPUZAEL-CABCVRRESA-N 1 3 322.497 2.081 20 0 DEADHO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@H](N2CCCC2)C1 ZINC000533344607 406137441 /nfs/dbraw/zinc/13/74/41/406137441.db2.gz BJRYUAWUCCZYAB-IRXDYDNUSA-N 1 3 305.466 2.090 20 0 DEADHO O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CC[C@H](N2CCCC2)C1 ZINC000533344607 406137448 /nfs/dbraw/zinc/13/74/48/406137448.db2.gz BJRYUAWUCCZYAB-IRXDYDNUSA-N 1 3 305.466 2.090 20 0 DEADHO FC(F)(F)CN1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000518513984 406142412 /nfs/dbraw/zinc/14/24/12/406142412.db2.gz BVZOYZKKBNCCFB-RFQIPJPRSA-N 1 3 305.388 2.133 20 0 DEADHO CC[NH2+]CCCNC(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000567834080 406146268 /nfs/dbraw/zinc/14/62/68/406146268.db2.gz LVFOPIMMHFZEPY-UHFFFAOYSA-N 1 3 303.450 2.400 20 0 DEADHO CC(C)O[C@@H]1CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639697896 406210659 /nfs/dbraw/zinc/21/06/59/406210659.db2.gz IHIPWCXHKYVOAJ-RTBURBONSA-N 1 3 318.461 2.123 20 0 DEADHO CC(C)O[C@@H]1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639697896 406210664 /nfs/dbraw/zinc/21/06/64/406210664.db2.gz IHIPWCXHKYVOAJ-RTBURBONSA-N 1 3 318.461 2.123 20 0 DEADHO COC(=O)c1cc2c(o1)c(OC)ccc2CN[C@H](C)C[C@@H](C)[NH3+] ZINC000519606037 406219917 /nfs/dbraw/zinc/21/99/17/406219917.db2.gz JXIBVXBFJSUZGJ-GHMZBOCLSA-N 1 3 320.389 2.443 20 0 DEADHO CC(C)CN1CCC([NH2+]C[C@H](O)COCc2ccccc2)CC1 ZINC000568975415 292381090 /nfs/dbraw/zinc/38/10/90/292381090.db2.gz FQDVVNVKMUJNLG-IBGZPJMESA-N 1 3 320.477 2.274 20 0 DEADHO Cc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c(N2CCOCC2)c1 ZINC000520252735 406279768 /nfs/dbraw/zinc/27/97/68/406279768.db2.gz FCHCMACDMBYDIU-IAGOWNOFSA-N 1 3 303.450 2.191 20 0 DEADHO COc1ccc(-c2n[nH]cc2C[NH2+]CC2=CCN(C)CC2)cc1 ZINC000537343772 406288976 /nfs/dbraw/zinc/28/89/76/406288976.db2.gz MZSGOUFYKXHLCN-UHFFFAOYSA-N 1 3 312.417 2.437 20 0 DEADHO N[C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000569702884 406293007 /nfs/dbraw/zinc/29/30/07/406293007.db2.gz MMLSOZJASFFTAU-OTWHNJEPSA-N 1 3 317.477 2.137 20 0 DEADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000488663951 406337750 /nfs/dbraw/zinc/33/77/50/406337750.db2.gz HCFKRFIGKBUSGZ-HOTGVXAUSA-N 1 3 324.513 2.233 20 0 DEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000488663951 406337755 /nfs/dbraw/zinc/33/77/55/406337755.db2.gz HCFKRFIGKBUSGZ-HOTGVXAUSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000546016246 406345396 /nfs/dbraw/zinc/34/53/96/406345396.db2.gz CZKMAISTGWRZKZ-RDJZCZTQSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000546016246 406345399 /nfs/dbraw/zinc/34/53/99/406345399.db2.gz CZKMAISTGWRZKZ-RDJZCZTQSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](N)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000521998931 406382703 /nfs/dbraw/zinc/38/27/03/406382703.db2.gz QPAKLAVDCDLAFI-QGZVFWFLSA-N 1 3 315.461 2.238 20 0 DEADHO CC[C@@H](N)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000521998931 406382705 /nfs/dbraw/zinc/38/27/05/406382705.db2.gz QPAKLAVDCDLAFI-QGZVFWFLSA-N 1 3 315.461 2.238 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)C1=CC[C@H]([NH3+])C1)c1ccccc1 ZINC000637799865 406425004 /nfs/dbraw/zinc/42/50/04/406425004.db2.gz RIICNQVSSXMMKL-IRXDYDNUSA-N 1 3 301.434 2.233 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCN1C1CCCC1 ZINC000635125645 406432777 /nfs/dbraw/zinc/43/27/77/406432777.db2.gz NMBYAENOYRMVKZ-RDJZCZTQSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCN1C1CCCC1 ZINC000635125645 406432781 /nfs/dbraw/zinc/43/27/81/406432781.db2.gz NMBYAENOYRMVKZ-RDJZCZTQSA-N 1 3 307.482 2.384 20 0 DEADHO C[NH+](C)CC1(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000635138932 406437132 /nfs/dbraw/zinc/43/71/32/406437132.db2.gz MRSYSGOVNAGSMX-AWEZNQCLSA-N 1 3 321.490 2.343 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000571639263 406546557 /nfs/dbraw/zinc/54/65/57/406546557.db2.gz TURRTMRTLLOBHP-CRAIPNDOSA-N 1 3 315.461 2.064 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000571639263 406546562 /nfs/dbraw/zinc/54/65/62/406546562.db2.gz TURRTMRTLLOBHP-CRAIPNDOSA-N 1 3 315.461 2.064 20 0 DEADHO COC[C@@H](O)CNCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000571790306 406567176 /nfs/dbraw/zinc/56/71/76/406567176.db2.gz IMQLOXKEHGOEJL-YJBOKZPZSA-N 1 3 306.450 2.158 20 0 DEADHO COC[C@@H](O)CNCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000571790306 406567183 /nfs/dbraw/zinc/56/71/83/406567183.db2.gz IMQLOXKEHGOEJL-YJBOKZPZSA-N 1 3 306.450 2.158 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000571431280 406520771 /nfs/dbraw/zinc/52/07/71/406520771.db2.gz OUGKZHCPJRNFQW-UAGQMJEPSA-N 1 3 316.449 2.400 20 0 DEADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000571431280 406520775 /nfs/dbraw/zinc/52/07/75/406520775.db2.gz OUGKZHCPJRNFQW-UAGQMJEPSA-N 1 3 316.449 2.400 20 0 DEADHO CN(C)CCN(Cc1ccccc1F)C(=O)C1(C[NH+](C)C)CC1 ZINC000635414730 406527318 /nfs/dbraw/zinc/52/73/18/406527318.db2.gz CPXHZHMTAKBOCO-UHFFFAOYSA-N 1 3 321.440 2.058 20 0 DEADHO C[C@H]1CCN(C)CCN1C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000572132946 406611330 /nfs/dbraw/zinc/61/13/30/406611330.db2.gz SHSBUCSDBHWVJK-WMZOPIPTSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@H]1CCN(C)CCN1C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000572132946 406611332 /nfs/dbraw/zinc/61/13/32/406611332.db2.gz SHSBUCSDBHWVJK-WMZOPIPTSA-N 1 3 315.461 2.061 20 0 DEADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H]1CCN1C1CCCC1 ZINC000635613641 406623470 /nfs/dbraw/zinc/62/34/70/406623470.db2.gz BQVHNEDWXCBACK-DOTOQJQBSA-N 1 3 307.482 2.336 20 0 DEADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@H]1CCN1C1CCCC1 ZINC000635613641 406623477 /nfs/dbraw/zinc/62/34/77/406623477.db2.gz BQVHNEDWXCBACK-DOTOQJQBSA-N 1 3 307.482 2.336 20 0 DEADHO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]2CCN2C2CCCC2)C1 ZINC000635621563 406630875 /nfs/dbraw/zinc/63/08/75/406630875.db2.gz BFRDXVIHGYMKIZ-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO CC[NH2+][C@H](C)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000638123854 406581890 /nfs/dbraw/zinc/58/18/90/406581890.db2.gz RJYUPBVLWXOPJO-NFAWXSAZSA-N 1 3 309.479 2.245 20 0 DEADHO C[C@@H]1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000638132212 406586470 /nfs/dbraw/zinc/58/64/70/406586470.db2.gz UYXVPPBDCZMNJC-CRAIPNDOSA-N 1 3 313.445 2.157 20 0 DEADHO CO[C@@H](C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)C1CC1 ZINC000638275544 406666715 /nfs/dbraw/zinc/66/67/15/406666715.db2.gz UJXDVAGBFWRZIF-IBGZPJMESA-N 1 3 318.461 2.158 20 0 DEADHO CC[NH+](CC)CCOc1ccccc1NC(=O)/C=C\CN(C)C ZINC000491687702 406669519 /nfs/dbraw/zinc/66/95/19/406669519.db2.gz XHJRAYKBXSALPP-XFXZXTDPSA-N 1 3 319.449 2.464 20 0 DEADHO Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000572511743 406684607 /nfs/dbraw/zinc/68/46/07/406684607.db2.gz NTQUXFUOIJNLHG-YESZJQIVSA-N 1 3 306.450 2.197 20 0 DEADHO CC(C)C(C[NH2+]CC(=O)NCCN1CCCCCC1)C(C)C ZINC000552278919 406699568 /nfs/dbraw/zinc/69/95/68/406699568.db2.gz SSMMUOMFWUEWLC-UHFFFAOYSA-N 1 3 311.514 2.496 20 0 DEADHO CN(CC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)CC(C)(C)C ZINC000635634821 406639220 /nfs/dbraw/zinc/63/92/20/406639220.db2.gz CSRXOOFGRAFCHF-MRXNPFEDSA-N 1 3 309.498 2.155 20 0 DEADHO CN(CC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)CC(C)(C)C ZINC000635634821 406639227 /nfs/dbraw/zinc/63/92/27/406639227.db2.gz CSRXOOFGRAFCHF-MRXNPFEDSA-N 1 3 309.498 2.155 20 0 DEADHO CC(C)CC[C@@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000638413067 406756983 /nfs/dbraw/zinc/75/69/83/406756983.db2.gz WISDODYUDFCLBN-BRWVUGGUSA-N 1 3 321.440 2.151 20 0 DEADHO CSc1ccc([C@H](CNC(=O)N[C@@H](C)CC[NH3+])N(C)C)cc1 ZINC000418230816 286729183 /nfs/dbraw/zinc/72/91/83/286729183.db2.gz JVBGFPJRIYDQBQ-WFASDCNBSA-N 1 3 324.494 2.048 20 0 DEADHO C[C@@H]([NH2+]CCN1CCCC1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000554452080 406799146 /nfs/dbraw/zinc/79/91/46/406799146.db2.gz XJTSOTFTUIPAML-AEFFLSMTSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@@H](NCCN1CCCC1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554452080 406799150 /nfs/dbraw/zinc/79/91/50/406799150.db2.gz XJTSOTFTUIPAML-AEFFLSMTSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@@H](NCCN1CCCC1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554452080 406799154 /nfs/dbraw/zinc/79/91/54/406799154.db2.gz XJTSOTFTUIPAML-AEFFLSMTSA-N 1 3 315.461 2.109 20 0 DEADHO Cc1ccc(NC(=O)NCCC(C)(C)[NH3+])c(OCCN(C)C)c1 ZINC000641815970 406900831 /nfs/dbraw/zinc/90/08/31/406900831.db2.gz LJJVUVYMMIJAQK-UHFFFAOYSA-N 1 3 322.453 2.184 20 0 DEADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)NC/C=C/C[NH3+])CC1 ZINC000641862906 406905181 /nfs/dbraw/zinc/90/51/81/406905181.db2.gz UXAFTMLUWSQELQ-VOTSOKGWSA-N 1 3 310.486 2.043 20 0 DEADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CO[C@@H](C)C3)cc2)CC1 ZINC000647172335 406964281 /nfs/dbraw/zinc/96/42/81/406964281.db2.gz SNBZNMULPIVNEX-LPHOPBHVSA-N 1 3 317.477 2.091 20 0 DEADHO CN(C)CCOc1ccc(CN2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000647541477 407016740 /nfs/dbraw/zinc/01/67/40/407016740.db2.gz AKUJBVULKLPKBX-LJQANCHMSA-N 1 3 317.477 2.203 20 0 DEADHO [NH3+]C[C@@H]1CN(Cc2ccc3cnccc3c2)CC12CCOCC2 ZINC000647545445 407017790 /nfs/dbraw/zinc/01/77/90/407017790.db2.gz JMSYETQWGUZZSR-GOSISDBHSA-N 1 3 311.429 2.422 20 0 DEADHO NC[C@H]1C[N@H+](C[C@H]2CCOc3ccccc32)CC12CCOCC2 ZINC000647545437 407017911 /nfs/dbraw/zinc/01/79/11/407017911.db2.gz HPGDNOIOWDKNQD-CVEARBPZSA-N 1 3 316.445 2.240 20 0 DEADHO NC[C@H]1C[N@@H+](C[C@H]2CCOc3ccccc32)CC12CCOCC2 ZINC000647545437 407017914 /nfs/dbraw/zinc/01/79/14/407017914.db2.gz HPGDNOIOWDKNQD-CVEARBPZSA-N 1 3 316.445 2.240 20 0 DEADHO Cc1cccc(C2([NH2+]C[C@H]3CCCN(C(=O)CN)C3)CCC2)c1 ZINC000647553064 407019676 /nfs/dbraw/zinc/01/96/76/407019676.db2.gz YTRUAXBSPWSRDV-MRXNPFEDSA-N 1 3 315.461 2.161 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000647617244 407023892 /nfs/dbraw/zinc/02/38/92/407023892.db2.gz MADZVIOEPJXOEU-BRWVUGGUSA-N 1 3 307.482 2.382 20 0 DEADHO C[NH2+]C[C@H]1CCCN(Cc2ccc(OCCN(C)C)cc2)C1 ZINC000647485573 407006310 /nfs/dbraw/zinc/00/63/10/407006310.db2.gz FHTBSQWXBLTDFF-QGZVFWFLSA-N 1 3 305.466 2.058 20 0 DEADHO CC[C@H]1CN(Cc2ccc(OCCN(C)C)cc2)CC[C@@H]1[NH3+] ZINC000647498651 407008045 /nfs/dbraw/zinc/00/80/45/407008045.db2.gz LXJNYZRWDUPCBU-WMZOPIPTSA-N 1 3 305.466 2.186 20 0 DEADHO O=c1[nH]c2ccccc2n1CCCN1CCC2(CC[NH2+]C2)CC1 ZINC000647974774 407090708 /nfs/dbraw/zinc/09/07/08/407090708.db2.gz VICLGXVTJUVZGC-UHFFFAOYSA-N 1 3 314.433 2.208 20 0 DEADHO CC1CCC(NC(=O)CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000647975659 407091290 /nfs/dbraw/zinc/09/12/90/407091290.db2.gz DGQDJAPRVXSYQQ-SAGYGOJTSA-N 1 3 321.509 2.393 20 0 DEADHO O=C(CCN(C1CC1)C1CC[NH2+]CC1)N1CCc2ccccc21 ZINC000647814468 407055851 /nfs/dbraw/zinc/05/58/51/407055851.db2.gz PFLITBTVHGPLPU-UHFFFAOYSA-N 1 3 313.445 2.182 20 0 DEADHO O=C(CC[N@H+](C1CC1)C1CCNCC1)N1CCc2ccccc21 ZINC000647814468 407055854 /nfs/dbraw/zinc/05/58/54/407055854.db2.gz PFLITBTVHGPLPU-UHFFFAOYSA-N 1 3 313.445 2.182 20 0 DEADHO O=C(CC[N@@H+](C1CC1)C1CCNCC1)N1CCc2ccccc21 ZINC000647814468 407055857 /nfs/dbraw/zinc/05/58/57/407055857.db2.gz PFLITBTVHGPLPU-UHFFFAOYSA-N 1 3 313.445 2.182 20 0 DEADHO CN(CCC[NH3+])CCC(=O)Nc1ccccc1Br ZINC000647848056 407060571 /nfs/dbraw/zinc/06/05/71/407060571.db2.gz BBDDFAKTAUITLL-UHFFFAOYSA-N 1 3 314.227 2.058 20 0 DEADHO CC[C@@H]1CN(CCC(=O)Nc2ccc(OC)cc2)CC[C@@H]1[NH3+] ZINC000647934577 407078950 /nfs/dbraw/zinc/07/89/50/407078950.db2.gz JKZKPRJQTUKPCZ-CJNGLKHVSA-N 1 3 305.422 2.083 20 0 DEADHO C[C@H](C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1)[C@H](N)c1ccccc1 ZINC000648181042 407132497 /nfs/dbraw/zinc/13/24/97/407132497.db2.gz XPHWZPHNESWSGL-BPUTZDHNSA-N 1 3 301.434 2.113 20 0 DEADHO CC[C@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)CCO1 ZINC000648461196 407184639 /nfs/dbraw/zinc/18/46/39/407184639.db2.gz WKGUEUXWWKGXIT-ROUUACIJSA-N 1 3 323.525 2.484 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645107915 407232504 /nfs/dbraw/zinc/23/25/04/407232504.db2.gz SOMZENNDFOIWCC-ZACQAIPSSA-N 1 3 307.482 2.275 20 0 DEADHO Cc1ccccc1CN1CCCN(C(=O)CC[C@H](C)[NH3+])CC1 ZINC000645472463 407283255 /nfs/dbraw/zinc/28/32/55/407283255.db2.gz KNQMYXRXRUEEPN-INIZCTEOSA-N 1 3 303.450 2.157 20 0 DEADHO C[C@@H](F)CC[NH2+][C@H](C)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001423133159 1173101144 /nfs/dbraw/zinc/10/11/44/1173101144.db2.gz QCVGRSSFUWJILW-ZIAGYGMSSA-N 1 3 303.466 2.149 20 0 DEADHO CC[C@@]1(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CCC[NH2+]1 ZINC000128971112 287409037 /nfs/dbraw/zinc/40/90/37/287409037.db2.gz UHKYRWKNAAYOBY-MJGOQNOKSA-N 1 3 315.461 2.472 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000417790146 229102211 /nfs/dbraw/zinc/10/22/11/229102211.db2.gz HNPUVRPNMLWWGO-NUEKZKHPSA-N 1 3 303.450 2.298 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NCC(C)(C)[NH3+])CC1 ZINC000417690083 229069769 /nfs/dbraw/zinc/06/97/69/229069769.db2.gz LBHJDOZSYNVOFQ-CQSZACIVSA-N 1 3 318.465 2.249 20 0 DEADHO C[C@H]([NH3+])CCNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000417731787 229080686 /nfs/dbraw/zinc/08/06/86/229080686.db2.gz GIIDYNGJWWYCME-GZBFAFLISA-N 1 3 324.494 2.168 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)NCCC[NH2+]C1CC1 ZINC000418285185 229299970 /nfs/dbraw/zinc/29/99/70/229299970.db2.gz FDJTYPOVYMNUIK-UHFFFAOYSA-N 1 3 324.513 2.282 20 0 DEADHO CN(C)CCN(C)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418487883 229364745 /nfs/dbraw/zinc/36/47/45/229364745.db2.gz LZKHUKCNBLZQMA-QGZVFWFLSA-N 1 3 314.433 2.043 20 0 DEADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418587873 229396036 /nfs/dbraw/zinc/39/60/36/229396036.db2.gz RJROYBSGENZHOI-LSDHHAIUSA-N 1 3 324.494 2.091 20 0 DEADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418587872 229396361 /nfs/dbraw/zinc/39/63/61/229396361.db2.gz RJROYBSGENZHOI-HUUCEWRRSA-N 1 3 324.494 2.091 20 0 DEADHO Fc1cccc(F)c1CCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422697158 230167198 /nfs/dbraw/zinc/16/71/98/230167198.db2.gz UBPIKWGEOQRIPQ-RRQGHBQHSA-N 1 3 310.388 2.254 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@@H]1NCC(C)(C)N1CCc2ccccc2C1 ZINC000422702207 230169730 /nfs/dbraw/zinc/16/97/30/230169730.db2.gz KFLCQEFDRASZOF-QAPCUYQASA-N 1 3 301.478 2.411 20 0 DEADHO C[C@@H]1CCNC[C@@H]1[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000422702207 230169736 /nfs/dbraw/zinc/16/97/36/230169736.db2.gz KFLCQEFDRASZOF-QAPCUYQASA-N 1 3 301.478 2.411 20 0 DEADHO COCCN(C)CC[C@H](N[C@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422722759 230176698 /nfs/dbraw/zinc/17/66/98/230176698.db2.gz YXMKHJCVANFLST-NEWSRXKRSA-N 1 3 319.493 2.426 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCCOCCc1ccccc1 ZINC000422721481 230176894 /nfs/dbraw/zinc/17/68/94/230176894.db2.gz NZRAYGVFMRKQHI-YTQUADARSA-N 1 3 320.477 2.368 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000422897049 230267957 /nfs/dbraw/zinc/26/79/57/230267957.db2.gz BFHDPHZTLAFHMN-GVXVVHGQSA-N 1 3 320.355 2.161 20 0 DEADHO Cc1ccc(OCCCC[NH2+][C@@H]2CCOC[C@H]2[C@H](C)N)cc1 ZINC000422896821 230267991 /nfs/dbraw/zinc/26/79/91/230267991.db2.gz IQIVOVFDTLPNPR-RYQLBKOJSA-N 1 3 306.450 2.496 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000422901212 230268188 /nfs/dbraw/zinc/26/81/88/230268188.db2.gz KQWVIGAWQIGANN-UAGQMJEPSA-N 1 3 317.433 2.021 20 0 DEADHO Cc1cccc(OC[C@H](O)CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422905627 230269067 /nfs/dbraw/zinc/26/90/67/230269067.db2.gz ZKZJDULGBORWIY-NXWXRZEISA-N 1 3 318.461 2.245 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCc1ccc(F)cc1Cl ZINC000422957940 230293994 /nfs/dbraw/zinc/29/39/94/230293994.db2.gz WEPPNJOBVSZCDI-ZBINZKHDSA-N 1 3 300.805 2.364 20 0 DEADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC000422957940 230293998 /nfs/dbraw/zinc/29/39/98/230293998.db2.gz WEPPNJOBVSZCDI-ZBINZKHDSA-N 1 3 300.805 2.364 20 0 DEADHO [NH3+]CC1CCC(N[C@@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000422959227 230296683 /nfs/dbraw/zinc/29/66/83/230296683.db2.gz RDDLSKWPPBBBID-SSDMNJCBSA-N 1 3 305.397 2.038 20 0 DEADHO C[C@H](c1ccncc1)N1CCC([NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000422971457 230301372 /nfs/dbraw/zinc/30/13/72/230301372.db2.gz YGKNXCNXBLRALR-KYJSFNMBSA-N 1 3 302.466 2.324 20 0 DEADHO Cc1cccc(C[C@H](CO)N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423058334 230331830 /nfs/dbraw/zinc/33/18/30/230331830.db2.gz JKICTSPWDFUWTM-FCGDIQPGSA-N 1 3 302.462 2.409 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CC2(N3CCSCC3)CCCC2)CCN1C ZINC000153806489 424860057 /nfs/dbraw/zinc/86/00/57/424860057.db2.gz ABRCFZGXRBRJGH-JKSUJKDBSA-N 1 3 311.539 2.420 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2O)cc1 ZINC000648785238 424907085 /nfs/dbraw/zinc/90/70/85/424907085.db2.gz AAEPFICOYNKBFO-FUHWJXTLSA-N 1 3 306.450 2.268 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1)N1CCCCC1 ZINC000649370735 425003145 /nfs/dbraw/zinc/00/31/45/425003145.db2.gz WKLGPVZAEGSQOU-HZPDHXFCSA-N 1 3 307.482 2.288 20 0 DEADHO CN1CCC(Nc2ccccc2NC(=O)CC2([NH3+])CCC2)CC1 ZINC000649315209 424991202 /nfs/dbraw/zinc/99/12/02/424991202.db2.gz VDNAHJNXKYHSEO-UHFFFAOYSA-N 1 3 316.449 2.403 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000649336616 424996619 /nfs/dbraw/zinc/99/66/19/424996619.db2.gz IPQXWYQZYCLDOA-HYVNUMGLSA-N 1 3 315.461 2.011 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CNCc3ccccc32)C[C@H]1C ZINC000649340232 424996882 /nfs/dbraw/zinc/99/68/82/424996882.db2.gz LBWKKKNEAVSGCE-HFTRVMKXSA-N 1 3 315.461 2.205 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CNCc3ccccc32)C[C@H]1C ZINC000649340232 424996883 /nfs/dbraw/zinc/99/68/83/424996883.db2.gz LBWKKKNEAVSGCE-HFTRVMKXSA-N 1 3 315.461 2.205 20 0 DEADHO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H]3NCC3(C)C)cc21 ZINC000649338938 424996958 /nfs/dbraw/zinc/99/69/58/424996958.db2.gz OQOLLNURBQWFAO-MRXNPFEDSA-N 1 3 314.433 2.139 20 0 DEADHO [NH3+]C[C@]12CCC[C@H]1CN(Cc1ccc(C(=O)NC3CC3)cc1)C2 ZINC000650708796 425039531 /nfs/dbraw/zinc/03/95/31/425039531.db2.gz NCSAAJUQEGPCOJ-LPHOPBHVSA-N 1 3 313.445 2.140 20 0 DEADHO NC[C@]12CCC[C@H]1C[N@H+](Cc1ccc(C(=O)NC3CC3)cc1)C2 ZINC000650708796 425039535 /nfs/dbraw/zinc/03/95/35/425039535.db2.gz NCSAAJUQEGPCOJ-LPHOPBHVSA-N 1 3 313.445 2.140 20 0 DEADHO NC[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(C(=O)NC3CC3)cc1)C2 ZINC000650708796 425039537 /nfs/dbraw/zinc/03/95/37/425039537.db2.gz NCSAAJUQEGPCOJ-LPHOPBHVSA-N 1 3 313.445 2.140 20 0 DEADHO CC[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccncc1 ZINC000651228259 425119387 /nfs/dbraw/zinc/11/93/87/425119387.db2.gz FVNHDYIBKKKEEM-FUHWJXTLSA-N 1 3 302.466 2.291 20 0 DEADHO Fc1ccc(CCN2CCC(NCC34CC(C3)C[NH2+]4)CC2)cc1 ZINC000663497491 425171802 /nfs/dbraw/zinc/17/18/02/425171802.db2.gz GGKUJSCLFPPTOS-UHFFFAOYSA-N 1 3 317.452 2.174 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)NCCC[NH+]1CCCCC1 ZINC000663502356 425172563 /nfs/dbraw/zinc/17/25/63/425172563.db2.gz HDQNLNWVWMQBDB-QGZVFWFLSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000666756133 425174843 /nfs/dbraw/zinc/17/48/43/425174843.db2.gz GZZBWGUHBDULDG-INIZCTEOSA-N 1 3 324.513 2.138 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000660610527 425175155 /nfs/dbraw/zinc/17/51/55/425175155.db2.gz AEARUNWLULVZDS-XHSDSOJGSA-N 1 3 310.486 2.033 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000660610527 425175161 /nfs/dbraw/zinc/17/51/61/425175161.db2.gz AEARUNWLULVZDS-XHSDSOJGSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N(C)CCN1CCCCC1 ZINC000666753152 425175602 /nfs/dbraw/zinc/17/56/02/425175602.db2.gz PQTGSPSKFVJIJB-KRWDZBQOSA-N 1 3 324.513 2.234 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000666754638 425176031 /nfs/dbraw/zinc/17/60/31/425176031.db2.gz QIPMYOWCRQMIKB-IRXDYDNUSA-N 1 3 324.513 2.231 20 0 DEADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000666754638 425176034 /nfs/dbraw/zinc/17/60/34/425176034.db2.gz QIPMYOWCRQMIKB-IRXDYDNUSA-N 1 3 324.513 2.231 20 0 DEADHO CC(C)[NH2+]C1CCN(C(=O)N[C@@H](C)CN2CCC(C)CC2)CC1 ZINC000666761064 425177589 /nfs/dbraw/zinc/17/75/89/425177589.db2.gz RGMOPJHQWHNIRB-INIZCTEOSA-N 1 3 324.513 2.279 20 0 DEADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCCc3c2ccc(=O)n3C)[C@@H](C)C1 ZINC000652074496 425178851 /nfs/dbraw/zinc/17/88/51/425178851.db2.gz LRGLHMKDQQTGKW-CWRNSKLLSA-N 1 3 303.450 2.083 20 0 DEADHO CC[N@H+]1CC[C@H](N[C@@H]2CCCc3c2ccc(=O)n3C)[C@@H](C)C1 ZINC000652074496 425178856 /nfs/dbraw/zinc/17/88/56/425178856.db2.gz LRGLHMKDQQTGKW-CWRNSKLLSA-N 1 3 303.450 2.083 20 0 DEADHO COc1ccc(OCC[N@@H+]2CCC[C@@]3(CCN(C)C3)C2)cc1 ZINC000660655348 425194893 /nfs/dbraw/zinc/19/48/93/425194893.db2.gz MLKPHPKBBRGNLT-SFHVURJKSA-N 1 3 304.434 2.492 20 0 DEADHO COc1ccc(OCC[N@H+]2CCC[C@@]3(CCN(C)C3)C2)cc1 ZINC000660655348 425194897 /nfs/dbraw/zinc/19/48/97/425194897.db2.gz MLKPHPKBBRGNLT-SFHVURJKSA-N 1 3 304.434 2.492 20 0 DEADHO CCC[N@H+](C)CC(C)(C)NC(=O)NCCN1CCC[C@@H](C)C1 ZINC000663630178 425202500 /nfs/dbraw/zinc/20/25/00/425202500.db2.gz NGAYXHNKNNUIEL-OAHLLOKOSA-N 1 3 312.502 2.138 20 0 DEADHO CCC[N@@H+](C)CC(C)(C)NC(=O)NCCN1CCC[C@@H](C)C1 ZINC000663630178 425202504 /nfs/dbraw/zinc/20/25/04/425202504.db2.gz NGAYXHNKNNUIEL-OAHLLOKOSA-N 1 3 312.502 2.138 20 0 DEADHO CCN(C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)[C@H]1CCN(C)C1 ZINC000663655094 425206077 /nfs/dbraw/zinc/20/60/77/425206077.db2.gz LITWXKLMUSIJOG-IRXDYDNUSA-N 1 3 324.513 2.234 20 0 DEADHO CCN(C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)[C@H]1CCN(C)C1 ZINC000663655094 425206081 /nfs/dbraw/zinc/20/60/81/425206081.db2.gz LITWXKLMUSIJOG-IRXDYDNUSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H]1CN(c2[nH+]ccc3[nH]ccc32)CC[C@@H]1N1CCN(C)CC1 ZINC000663757745 425229383 /nfs/dbraw/zinc/22/93/83/425229383.db2.gz UXIBAJRPYSPBJW-PBHICJAKSA-N 1 3 313.449 2.025 20 0 DEADHO NC[C@]12CCC[C@H]1C[N@H+](CCC(=O)N1CCc3ccccc31)C2 ZINC000652351337 425244615 /nfs/dbraw/zinc/24/46/15/425244615.db2.gz RBYKJYXEEILIJJ-LPHOPBHVSA-N 1 3 313.445 2.027 20 0 DEADHO NC[C@]12CCC[C@H]1C[N@@H+](CCC(=O)N1CCc3ccccc31)C2 ZINC000652351337 425244620 /nfs/dbraw/zinc/24/46/20/425244620.db2.gz RBYKJYXEEILIJJ-LPHOPBHVSA-N 1 3 313.445 2.027 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000660822942 425245595 /nfs/dbraw/zinc/24/55/95/425245595.db2.gz WSGXWRKRNWPXNE-INIZCTEOSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000660826168 425247295 /nfs/dbraw/zinc/24/72/95/425247295.db2.gz XYFXCYKJPFLJPY-HUUCEWRRSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000660826168 425247298 /nfs/dbraw/zinc/24/72/98/425247298.db2.gz XYFXCYKJPFLJPY-HUUCEWRRSA-N 1 3 310.486 2.033 20 0 DEADHO CCN(C(=O)NCCCCC[NH+]1CCCCC1)[C@H]1CCN(C)C1 ZINC000664186423 425326844 /nfs/dbraw/zinc/32/68/44/425326844.db2.gz QVWMBJDIJWEZMI-KRWDZBQOSA-N 1 3 324.513 2.378 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000654355748 425332478 /nfs/dbraw/zinc/33/24/78/425332478.db2.gz AKFVXPCSLKMTAJ-UHFFFAOYSA-N 1 3 324.513 2.378 20 0 DEADHO CCN1CC[C@H](C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000657315056 425302072 /nfs/dbraw/zinc/30/20/72/425302072.db2.gz HAKTZVAGVTYTMP-SJLPKXTDSA-N 1 3 304.434 2.286 20 0 DEADHO Cc1nccn1C[C@H](C)C[NH2+]Cc1ccnn1-c1ccncc1 ZINC000657347272 425311617 /nfs/dbraw/zinc/31/16/17/425311617.db2.gz PTGJGDRQODDTOY-CQSZACIVSA-N 1 3 310.405 2.198 20 0 DEADHO Cn1ncc(C(F)(F)F)c1CNCC[C@@H]1CCC[N@H+](C)C1 ZINC000657492063 425348959 /nfs/dbraw/zinc/34/89/59/425348959.db2.gz QCAZYEYQKKFYCT-NSHDSACASA-N 1 3 304.360 2.260 20 0 DEADHO Cn1ncc(C(F)(F)F)c1CNCC[C@@H]1CCC[N@@H+](C)C1 ZINC000657492063 425348963 /nfs/dbraw/zinc/34/89/63/425348963.db2.gz QCAZYEYQKKFYCT-NSHDSACASA-N 1 3 304.360 2.260 20 0 DEADHO CCC[N@H+](CC)CCNC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654469634 425360907 /nfs/dbraw/zinc/36/09/07/425360907.db2.gz CTLZUHDTEYDRCN-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO CCC[N@@H+](CC)CCNC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654469634 425360910 /nfs/dbraw/zinc/36/09/10/425360910.db2.gz CTLZUHDTEYDRCN-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000654590566 425391798 /nfs/dbraw/zinc/39/17/98/425391798.db2.gz DIXSSIOTCIPVAY-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000654590566 425391800 /nfs/dbraw/zinc/39/18/00/425391800.db2.gz DIXSSIOTCIPVAY-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO CCN(C(=O)NC1CCC(C[NH+](C)C)CC1)[C@H]1CCN(CC)C1 ZINC000664504775 425398827 /nfs/dbraw/zinc/39/88/27/425398827.db2.gz JJHTXXLHRISTMP-JCYILVPMSA-N 1 3 324.513 2.233 20 0 DEADHO C[NH+](C)CCOc1ccccc1CN[C@H]1COC2(CCC2)C1 ZINC000657861361 425411421 /nfs/dbraw/zinc/41/14/21/425411421.db2.gz JGJFHOWKONNYEM-MRXNPFEDSA-N 1 3 304.434 2.428 20 0 DEADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1scnc1C1CC1 ZINC000657572798 425368629 /nfs/dbraw/zinc/36/86/29/425368629.db2.gz GQGWFBXDHIAODU-ZDUSSCGKSA-N 1 3 310.511 2.382 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000661508341 425430737 /nfs/dbraw/zinc/43/07/37/425430737.db2.gz WALRRMVQEYWQLX-HOTGVXAUSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000661508341 425430742 /nfs/dbraw/zinc/43/07/42/425430742.db2.gz WALRRMVQEYWQLX-HOTGVXAUSA-N 1 3 322.497 2.129 20 0 DEADHO CC[C@@H](NCC1CC[NH+](C2CCOCC2)CC1)c1ccn(C)n1 ZINC000658071252 425434472 /nfs/dbraw/zinc/43/44/72/425434472.db2.gz WQFYRUMWKZNFRN-QGZVFWFLSA-N 1 3 320.481 2.352 20 0 DEADHO CC(C)[C@H](C(=O)NCc1ccc(C[NH3+])cc1F)N1CCCCC1 ZINC000653224527 425437736 /nfs/dbraw/zinc/43/77/36/425437736.db2.gz VCMKOVNBIHVSSW-QGZVFWFLSA-N 1 3 321.440 2.411 20 0 DEADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C[C@H]3CC(=O)N(C)C3)CC2)C1 ZINC000658244747 425460273 /nfs/dbraw/zinc/46/02/73/425460273.db2.gz UEDFNVNOKKPXNI-BFYDXBDKSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCc1nsc2ccccc12 ZINC000665276485 425533698 /nfs/dbraw/zinc/53/36/98/425533698.db2.gz DNGYUUHPQBKFTK-YUTCNCBUSA-N 1 3 305.447 2.181 20 0 DEADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCc1nsc2ccccc12 ZINC000665276485 425533702 /nfs/dbraw/zinc/53/37/02/425533702.db2.gz DNGYUUHPQBKFTK-YUTCNCBUSA-N 1 3 305.447 2.181 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000655348975 425541082 /nfs/dbraw/zinc/54/10/82/425541082.db2.gz DGQOYRONPFFQNG-QZTJIDSGSA-N 1 3 315.461 2.495 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000655348975 425541083 /nfs/dbraw/zinc/54/10/83/425541083.db2.gz DGQOYRONPFFQNG-QZTJIDSGSA-N 1 3 315.461 2.495 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000655348974 425541451 /nfs/dbraw/zinc/54/14/51/425541451.db2.gz DGQOYRONPFFQNG-MSOLQXFVSA-N 1 3 315.461 2.495 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000655348974 425541454 /nfs/dbraw/zinc/54/14/54/425541454.db2.gz DGQOYRONPFFQNG-MSOLQXFVSA-N 1 3 315.461 2.495 20 0 DEADHO C[NH+](C)CCC1CCN(C(=O)NC[C@H]2CCN2C(C)(C)C)CC1 ZINC000665367244 425554050 /nfs/dbraw/zinc/55/40/50/425554050.db2.gz SUTGGVPCZDEDIB-MRXNPFEDSA-N 1 3 324.513 2.233 20 0 DEADHO O=C(CC[NH2+]C1CC1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000655444358 425567362 /nfs/dbraw/zinc/56/73/62/425567362.db2.gz CSBZOQWJEIPEQA-SFHVURJKSA-N 1 3 315.461 2.472 20 0 DEADHO CN[C@@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000655444236 425567478 /nfs/dbraw/zinc/56/74/78/425567478.db2.gz QQDJCXVZXYPPFV-GJZGRUSLSA-N 1 3 303.450 2.285 20 0 DEADHO CN[C@@H](C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000655444236 425567481 /nfs/dbraw/zinc/56/74/81/425567481.db2.gz QQDJCXVZXYPPFV-GJZGRUSLSA-N 1 3 303.450 2.285 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655445432 425568616 /nfs/dbraw/zinc/56/86/16/425568616.db2.gz XBUAKIDMLJUDPA-KDOFPFPSSA-N 1 3 317.433 2.085 20 0 DEADHO CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000662283489 425611355 /nfs/dbraw/zinc/61/13/55/425611355.db2.gz UECUEGJPCJANTL-AAEUAGOBSA-N 1 3 301.385 2.055 20 0 DEADHO CC[C@@H](CC(F)F)C[N@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000662283489 425611357 /nfs/dbraw/zinc/61/13/57/425611357.db2.gz UECUEGJPCJANTL-AAEUAGOBSA-N 1 3 301.385 2.055 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665555368 425596035 /nfs/dbraw/zinc/59/60/35/425596035.db2.gz CEKSBGWBEXOCOR-OAGGEKHMSA-N 1 3 322.497 2.127 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665555368 425596037 /nfs/dbraw/zinc/59/60/37/425596037.db2.gz CEKSBGWBEXOCOR-OAGGEKHMSA-N 1 3 322.497 2.127 20 0 DEADHO c1csc(CN(C[C@H]2CCCO2)C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662248518 425599566 /nfs/dbraw/zinc/59/95/66/425599566.db2.gz DWFZINGUHAFTOI-HUUCEWRRSA-N 1 3 322.474 2.250 20 0 DEADHO Fc1ccc(C[C@H]2CC[N@H+](C[C@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662254240 425602041 /nfs/dbraw/zinc/60/20/41/425602041.db2.gz GDDVQCYNCMKGTR-NVXWUHKLSA-N 1 3 304.409 2.211 20 0 DEADHO Fc1ccc(C[C@H]2CC[N@@H+](C[C@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662254240 425602043 /nfs/dbraw/zinc/60/20/43/425602043.db2.gz GDDVQCYNCMKGTR-NVXWUHKLSA-N 1 3 304.409 2.211 20 0 DEADHO Fc1ccc(C[C@H]2CC[N@H+](C[C@@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662254242 425602410 /nfs/dbraw/zinc/60/24/10/425602410.db2.gz GDDVQCYNCMKGTR-WBVHZDCISA-N 1 3 304.409 2.211 20 0 DEADHO Fc1ccc(C[C@H]2CC[N@@H+](C[C@@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662254242 425602412 /nfs/dbraw/zinc/60/24/12/425602412.db2.gz GDDVQCYNCMKGTR-WBVHZDCISA-N 1 3 304.409 2.211 20 0 DEADHO c1ccc2c(c1)COC21CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662258439 425604970 /nfs/dbraw/zinc/60/49/70/425604970.db2.gz XIOMOPDMKCHJQG-INIZCTEOSA-N 1 3 314.429 2.029 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cccc3c2CNC3)C1 ZINC000662421872 425647557 /nfs/dbraw/zinc/64/75/57/425647557.db2.gz QRGCEQSAGSXTFK-CQSZACIVSA-N 1 3 301.434 2.140 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cccc3c2CNC3)C1 ZINC000662421872 425647560 /nfs/dbraw/zinc/64/75/60/425647560.db2.gz QRGCEQSAGSXTFK-CQSZACIVSA-N 1 3 301.434 2.140 20 0 DEADHO C[NH+]1CCC(CCNC(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000662432214 425650004 /nfs/dbraw/zinc/65/00/04/425650004.db2.gz MDPBNZSBGYIADD-KRWDZBQOSA-N 1 3 301.434 2.069 20 0 DEADHO CCN(CCNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)C1CC1 ZINC000662436559 425650027 /nfs/dbraw/zinc/65/00/27/425650027.db2.gz CDBDSQMQJQNJIZ-MRXNPFEDSA-N 1 3 315.461 2.279 20 0 DEADHO CN(C)[C@H]1CCCN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)C1 ZINC000662438985 425651040 /nfs/dbraw/zinc/65/10/40/425651040.db2.gz GHROCEGGLAETMU-SJORKVTESA-N 1 3 315.461 2.231 20 0 DEADHO C[N@H+](CCNC(=O)C[C@@H]1NCc2ccccc21)C1CCCC1 ZINC000662447329 425653404 /nfs/dbraw/zinc/65/34/04/425653404.db2.gz RTIADKIVWFFIEP-KRWDZBQOSA-N 1 3 301.434 2.212 20 0 DEADHO C[N@@H+](CCNC(=O)C[C@@H]1NCc2ccccc21)C1CCCC1 ZINC000662447329 425653408 /nfs/dbraw/zinc/65/34/08/425653408.db2.gz RTIADKIVWFFIEP-KRWDZBQOSA-N 1 3 301.434 2.212 20 0 DEADHO CO[C@](C)(CO)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000655787545 425656184 /nfs/dbraw/zinc/65/61/84/425656184.db2.gz YJNULPCDTLTHPX-RDGPPVDQSA-N 1 3 318.461 2.169 20 0 DEADHO CO[C@](C)(CO)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000655787545 425656188 /nfs/dbraw/zinc/65/61/88/425656188.db2.gz YJNULPCDTLTHPX-RDGPPVDQSA-N 1 3 318.461 2.169 20 0 DEADHO CN(CCC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccncc1 ZINC000665856130 425658431 /nfs/dbraw/zinc/65/84/31/425658431.db2.gz KSFZOPCZUQKNJO-UHFFFAOYSA-N 1 3 318.465 2.333 20 0 DEADHO O=C(c1cccc2c1CNC2)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000662468364 425658853 /nfs/dbraw/zinc/65/88/53/425658853.db2.gz NFPNQMDAPVXECR-INIZCTEOSA-N 1 3 313.445 2.380 20 0 DEADHO CC[NH+](CC)CC1CCN(C(=O)c2cccc3c2CNC3)CC1 ZINC000662473406 425659595 /nfs/dbraw/zinc/65/95/95/425659595.db2.gz IVCGYEFPOXMUJS-UHFFFAOYSA-N 1 3 315.461 2.484 20 0 DEADHO CC[C@@H]([NH2+]C)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000662508446 425670007 /nfs/dbraw/zinc/67/00/07/425670007.db2.gz BWJXFDAHSUPNBY-QGZVFWFLSA-N 1 3 318.465 2.154 20 0 DEADHO Cc1cc(OCC[NH2+]C2(CO)CCNCC2)ccc1C(C)C ZINC000662285916 425614801 /nfs/dbraw/zinc/61/48/01/425614801.db2.gz MMRUAOLKEIEKBE-UHFFFAOYSA-N 1 3 306.450 2.201 20 0 DEADHO C[C@H]1CCCCN1C(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293238 425615670 /nfs/dbraw/zinc/61/56/70/425615670.db2.gz DSZZMFZFBMSAFG-RDJZCZTQSA-N 1 3 307.482 2.099 20 0 DEADHO O=C(CN1CCC[C@H](C2CC[NH2+]CC2)C1)NC1CCCCC1 ZINC000662296194 425616560 /nfs/dbraw/zinc/61/65/60/425616560.db2.gz XKQBVDNKQXNVTG-INIZCTEOSA-N 1 3 307.482 2.147 20 0 DEADHO C[C@H](C(=O)N1CCCCC1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292191 425616604 /nfs/dbraw/zinc/61/66/04/425616604.db2.gz CBCSJCPVGGDYNO-NVXWUHKLSA-N 1 3 307.482 2.099 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@H](C)[C@@H]2CCO)cc1 ZINC000662302878 425619069 /nfs/dbraw/zinc/61/90/69/425619069.db2.gz PAUFJSLWCBTHRA-LESCRADOSA-N 1 3 306.450 2.220 20 0 DEADHO COc1cccc([C@]2(C)CC[N@H+](C[C@H]3CCC4(CNC4)O3)C2)c1 ZINC000662309569 425620464 /nfs/dbraw/zinc/62/04/64/425620464.db2.gz ARABYZUEJUSZMH-QZTJIDSGSA-N 1 3 316.445 2.180 20 0 DEADHO COc1cccc([C@]2(C)CC[N@@H+](C[C@H]3CCC4(CNC4)O3)C2)c1 ZINC000662309569 425620468 /nfs/dbraw/zinc/62/04/68/425620468.db2.gz ARABYZUEJUSZMH-QZTJIDSGSA-N 1 3 316.445 2.180 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)NCCCCC[NH+]1CCCC1 ZINC000655679327 425625673 /nfs/dbraw/zinc/62/56/73/425625673.db2.gz BFBZKISVHPDODI-QGZVFWFLSA-N 1 3 324.513 2.426 20 0 DEADHO FCCCCC[N@@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662337273 425627234 /nfs/dbraw/zinc/62/72/34/425627234.db2.gz KULQAGSUYQKMAO-HNNXBMFYSA-N 1 3 323.460 2.139 20 0 DEADHO FCCCCC[N@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662337273 425627237 /nfs/dbraw/zinc/62/72/37/425627237.db2.gz KULQAGSUYQKMAO-HNNXBMFYSA-N 1 3 323.460 2.139 20 0 DEADHO CN(C)[C@H](C[NH2+]C1CCN([C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000655692324 425629124 /nfs/dbraw/zinc/62/91/24/425629124.db2.gz OMFDGHJITRZYBU-RTBURBONSA-N 1 3 323.525 2.340 20 0 DEADHO C[C@H](CN1CCC[C@@H](C)C1)[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000655698495 425631081 /nfs/dbraw/zinc/63/10/81/425631081.db2.gz GHXINRSGIKDHML-LMMKCTJWSA-N 1 3 323.525 2.340 20 0 DEADHO CCC[NH+]1CCC(NC(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000662356192 425631124 /nfs/dbraw/zinc/63/11/24/425631124.db2.gz KMSIIKJJGSILKA-KRWDZBQOSA-N 1 3 301.434 2.212 20 0 DEADHO C[C@@H](CNC(=O)C[C@@H]1NCc2ccccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000662386467 425638858 /nfs/dbraw/zinc/63/88/58/425638858.db2.gz AJWROSBWDWWUMH-VKJFTORMSA-N 1 3 315.461 2.458 20 0 DEADHO C[C@@H](CNC(=O)C[C@@H]1NCc2ccccc21)[N@H+]1CCC[C@@H](C)C1 ZINC000662386467 425638861 /nfs/dbraw/zinc/63/88/61/425638861.db2.gz AJWROSBWDWWUMH-VKJFTORMSA-N 1 3 315.461 2.458 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1(C2CCC2)CCC1 ZINC000665763673 425640450 /nfs/dbraw/zinc/64/04/50/425640450.db2.gz IPWOEDRUQBGSLN-HNNXBMFYSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1(C2CCC2)CCC1 ZINC000665763673 425640454 /nfs/dbraw/zinc/64/04/54/425640454.db2.gz IPWOEDRUQBGSLN-HNNXBMFYSA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCC[C@@H](NC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000194135164 267777378 /nfs/dbraw/zinc/77/73/78/267777378.db2.gz JJFHWGGBVXAXMD-QGZVFWFLSA-N 1 3 318.465 2.032 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H](CN)c2ccc(F)cc2)C1 ZINC000662592729 425689503 /nfs/dbraw/zinc/68/95/03/425689503.db2.gz JRBAJHGBFUJNDS-CJNGLKHVSA-N 1 3 321.440 2.105 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@H](CN)c2ccc(F)cc2)C1 ZINC000662592729 425689508 /nfs/dbraw/zinc/68/95/08/425689508.db2.gz JRBAJHGBFUJNDS-CJNGLKHVSA-N 1 3 321.440 2.105 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000655962854 425694694 /nfs/dbraw/zinc/69/46/94/425694694.db2.gz SFNCOYDRRAXYAH-UHFFFAOYSA-N 1 3 310.486 2.164 20 0 DEADHO CC(C)C[C@H](N)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000662658856 425704407 /nfs/dbraw/zinc/70/44/07/425704407.db2.gz KNMFJLZPFPNBRW-MSOLQXFVSA-N 1 3 317.477 2.135 20 0 DEADHO CC(C)C[C@H](N)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000662658856 425704410 /nfs/dbraw/zinc/70/44/10/425704410.db2.gz KNMFJLZPFPNBRW-MSOLQXFVSA-N 1 3 317.477 2.135 20 0 DEADHO O=C(NC1CC[NH+](C2CCCC2)CC1)C1(NC2CC2)CCC1 ZINC000662675999 425709345 /nfs/dbraw/zinc/70/93/45/425709345.db2.gz SPGRPTLLINTNIJ-UHFFFAOYSA-N 1 3 305.466 2.184 20 0 DEADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C[C@@H]1NCc2ccccc21 ZINC000662684226 425711728 /nfs/dbraw/zinc/71/17/28/425711728.db2.gz CDWQBRPDYTVNJP-YOEHRIQHSA-N 1 3 301.434 2.021 20 0 DEADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C[C@@H]1NCc2ccccc21 ZINC000662684226 425711732 /nfs/dbraw/zinc/71/17/32/425711732.db2.gz CDWQBRPDYTVNJP-YOEHRIQHSA-N 1 3 301.434 2.021 20 0 DEADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662682653 425711915 /nfs/dbraw/zinc/71/19/15/425711915.db2.gz NDWLDMGKHSYOGD-GJZGRUSLSA-N 1 3 307.482 2.132 20 0 DEADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cccc2c1CCNC2 ZINC000662696311 425716131 /nfs/dbraw/zinc/71/61/31/425716131.db2.gz WXPUYRLGYOMSGF-LSDHHAIUSA-N 1 3 315.461 2.183 20 0 DEADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cccc2c1CCNC2 ZINC000662696311 425716134 /nfs/dbraw/zinc/71/61/34/425716134.db2.gz WXPUYRLGYOMSGF-LSDHHAIUSA-N 1 3 315.461 2.183 20 0 DEADHO C[C@H](NC(=O)C[C@H]1NCc2ccccc21)C1CC[NH+](C)CC1 ZINC000662703974 425716839 /nfs/dbraw/zinc/71/68/39/425716839.db2.gz QEYZYCCTSBFBSC-SUMWQHHRSA-N 1 3 301.434 2.068 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H](c2cccc(F)c2)N2CCOCC2)C1 ZINC000656196085 425728738 /nfs/dbraw/zinc/72/87/38/425728738.db2.gz YHUBMFFPWKGYKD-KZNAEPCWSA-N 1 3 321.440 2.059 20 0 DEADHO CCCN1CC[C@H](NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)C1 ZINC000660338674 425797155 /nfs/dbraw/zinc/79/71/55/425797155.db2.gz CKMOLEWCPBFNQN-OAGGEKHMSA-N 1 3 310.486 2.033 20 0 DEADHO CCCN1CC[C@H](NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)C1 ZINC000660338674 425797158 /nfs/dbraw/zinc/79/71/58/425797158.db2.gz CKMOLEWCPBFNQN-OAGGEKHMSA-N 1 3 310.486 2.033 20 0 DEADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000662838213 425746474 /nfs/dbraw/zinc/74/64/74/425746474.db2.gz MIISUWZJOHOZPP-QHEDDYRISA-N 1 3 305.466 2.040 20 0 DEADHO CCCN1CCC[C@H]1C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662883424 425756213 /nfs/dbraw/zinc/75/62/13/425756213.db2.gz JUYQONKRZBKWEV-IRXDYDNUSA-N 1 3 317.433 2.160 20 0 DEADHO CN(C(=O)CC[NH2+]C[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000663357098 425831904 /nfs/dbraw/zinc/83/19/04/425831904.db2.gz ANHYJEVXRFAJLR-OAHLLOKOSA-N 1 3 301.434 2.113 20 0 DEADHO CN(C(=O)CCNC[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000663357098 425831905 /nfs/dbraw/zinc/83/19/05/425831905.db2.gz ANHYJEVXRFAJLR-OAHLLOKOSA-N 1 3 301.434 2.113 20 0 DEADHO CN(C(=O)CCNC[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000663357098 425831906 /nfs/dbraw/zinc/83/19/06/425831906.db2.gz ANHYJEVXRFAJLR-OAHLLOKOSA-N 1 3 301.434 2.113 20 0 DEADHO CC(=O)c1ccccc1OCCN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000390223343 269097194 /nfs/dbraw/zinc/09/71/94/269097194.db2.gz ZVWLNKSORVCALR-IYBDPMFKSA-N 1 3 302.418 2.199 20 0 DEADHO N[C@@H]1C[C@H]([NH2+]C[C@H](O)Cc2cccc(F)c2)c2ccccc21 ZINC000423145301 269115485 /nfs/dbraw/zinc/11/54/85/269115485.db2.gz KASDNALXVBFZKR-OLMNPRSZSA-N 1 3 300.377 2.464 20 0 DEADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1cccc(F)c1 ZINC000423144381 269115664 /nfs/dbraw/zinc/11/56/64/269115664.db2.gz GUCBPYWPOGIZII-XLAORIBOSA-N 1 3 306.425 2.239 20 0 DEADHO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC[C@@H]2CCCN2C)C1 ZINC000495520151 269150232 /nfs/dbraw/zinc/15/02/32/269150232.db2.gz PBDWPWUYEQFCRE-PMPSAXMXSA-N 1 3 311.470 2.317 20 0 DEADHO CN1C[C@H](CN2CCC(CCC[NH+]3CCCC3)CC2)OC1=O ZINC000495657025 269165372 /nfs/dbraw/zinc/16/53/72/269165372.db2.gz ZULZPZLYHSCJHH-MRXNPFEDSA-N 1 3 309.454 2.025 20 0 DEADHO CN1CCC[C@H]2C[N@H+](CCCNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000496352840 269213670 /nfs/dbraw/zinc/21/36/70/269213670.db2.gz VIYZYKGBRRUWGY-GJZGRUSLSA-N 1 3 311.470 2.317 20 0 DEADHO CN1CCC[C@H]2C[N@@H+](CCCNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000496352840 269213671 /nfs/dbraw/zinc/21/36/71/269213671.db2.gz VIYZYKGBRRUWGY-GJZGRUSLSA-N 1 3 311.470 2.317 20 0 DEADHO O=C(OCc1ccccc1)N1CCC([NH2+]C2CCNCC2)CC1 ZINC000496790544 269252439 /nfs/dbraw/zinc/25/24/39/269252439.db2.gz BYOOHMIXRAGWNN-UHFFFAOYSA-N 1 3 317.433 2.129 20 0 DEADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(N2CCOC2=O)c1 ZINC000497077155 269283948 /nfs/dbraw/zinc/28/39/48/269283948.db2.gz CVWPNZGYQOKPHB-HOTGVXAUSA-N 1 3 303.406 2.393 20 0 DEADHO CC[C@@H](N[C@@H](C[NH3+])C1CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497139109 269290627 /nfs/dbraw/zinc/29/06/27/269290627.db2.gz XMSKVLBIOZMWTM-QLFBSQMISA-N 1 3 311.470 2.491 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)N(C)C ZINC000511255170 269320732 /nfs/dbraw/zinc/32/07/32/269320732.db2.gz VJWUIUVJZNDXTA-ZOBUZTSGSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)N(C)C ZINC000511255170 269320733 /nfs/dbraw/zinc/32/07/33/269320733.db2.gz VJWUIUVJZNDXTA-ZOBUZTSGSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)N1CCN(CCCN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000514664594 269326896 /nfs/dbraw/zinc/32/68/96/269326896.db2.gz OVUGPTQFQODAIZ-OALUTQOASA-N 1 3 322.541 2.009 20 0 DEADHO C[C@@H](CNC[C@H](O)COCc1ccccc1)C[NH+]1CCCCC1 ZINC000514788816 269331481 /nfs/dbraw/zinc/33/14/81/269331481.db2.gz NEQAPHKCXXQXKV-HKUYNNGSSA-N 1 3 320.477 2.276 20 0 DEADHO C[C@@H](C[NH2+]C[C@H](O)COCc1ccccc1)CN1CCCCC1 ZINC000514788816 269331482 /nfs/dbraw/zinc/33/14/82/269331482.db2.gz NEQAPHKCXXQXKV-HKUYNNGSSA-N 1 3 320.477 2.276 20 0 DEADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2F)C1 ZINC000516761529 269369047 /nfs/dbraw/zinc/36/90/47/269369047.db2.gz IALXOJJINMYHEH-HZPDHXFCSA-N 1 3 324.440 2.275 20 0 DEADHO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000293782704 274161325 /nfs/dbraw/zinc/16/13/25/274161325.db2.gz TZLTUYOVNDEJQH-ZIAGYGMSSA-N 1 3 307.438 2.200 20 0 DEADHO COc1ccccc1NC(=O)C[C@@H](C)NC[C@@H](C)C[NH+](C)C ZINC000293782704 274161326 /nfs/dbraw/zinc/16/13/26/274161326.db2.gz TZLTUYOVNDEJQH-ZIAGYGMSSA-N 1 3 307.438 2.200 20 0 DEADHO Cc1cccc(N2CCC(N[C@H](C)C[C@H]3CCC[NH2+]3)CC2)n1 ZINC000415086658 274793631 /nfs/dbraw/zinc/79/36/31/274793631.db2.gz JYEKEGCCICESQZ-NVXWUHKLSA-N 1 3 302.466 2.479 20 0 DEADHO O=C1Nc2ccccc2CC[C@@H]1N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420321464 275024958 /nfs/dbraw/zinc/02/49/58/275024958.db2.gz VGQWRJMFOBNDEM-WMZOPIPTSA-N 1 3 313.445 2.261 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC2CC2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001423464465 1173362448 /nfs/dbraw/zinc/36/24/48/1173362448.db2.gz MBEXFUNOWIAWFF-GDBMZVCRSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000418339735 275746271 /nfs/dbraw/zinc/74/62/71/275746271.db2.gz BLFJINCPIQMCPS-XYPHTWIQSA-N 1 3 318.465 2.250 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000343582054 276011569 /nfs/dbraw/zinc/01/15/69/276011569.db2.gz ZBVLULCEMUOKIO-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000343582054 276011570 /nfs/dbraw/zinc/01/15/70/276011570.db2.gz ZBVLULCEMUOKIO-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCCCC1 ZINC000342944495 276012783 /nfs/dbraw/zinc/01/27/83/276012783.db2.gz PVWZFGJJBFQPOB-DOTOQJQBSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCCCC1 ZINC000342944495 276012785 /nfs/dbraw/zinc/01/27/85/276012785.db2.gz PVWZFGJJBFQPOB-DOTOQJQBSA-N 1 3 307.482 2.097 20 0 DEADHO CC[NH+]1CCC(NC[C@]2(CO)C[C@H]2c2ccc(F)cc2)CC1 ZINC000429420895 276151018 /nfs/dbraw/zinc/15/10/18/276151018.db2.gz WUZUQXPIVDSUGA-ROUUACIJSA-N 1 3 306.425 2.366 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000353697526 276253854 /nfs/dbraw/zinc/25/38/54/276253854.db2.gz FBIRIDKVVCNZMJ-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000353697526 276253856 /nfs/dbraw/zinc/25/38/56/276253856.db2.gz FBIRIDKVVCNZMJ-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO CC[NH2+]CC1CCN([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000262429786 276264486 /nfs/dbraw/zinc/26/44/86/276264486.db2.gz FTXFVHSKERBRQI-QGZVFWFLSA-N 1 3 301.434 2.261 20 0 DEADHO CCN1CCC([N@@H+]2CCCN(C[C@@H]3CC[C@@H](C)O3)CC2)CC1 ZINC000420977381 276358977 /nfs/dbraw/zinc/35/89/77/276358977.db2.gz HXYQSVYEXRUNMF-AEFFLSMTSA-N 1 3 309.498 2.046 20 0 DEADHO CCN1CCC([N@H+]2CCCN(C[C@@H]3CC[C@@H](C)O3)CC2)CC1 ZINC000420977381 276358978 /nfs/dbraw/zinc/35/89/78/276358978.db2.gz HXYQSVYEXRUNMF-AEFFLSMTSA-N 1 3 309.498 2.046 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN(C)[C@@H](C)C2CCCCC2)CC1 ZINC000338340902 276359032 /nfs/dbraw/zinc/35/90/32/276359032.db2.gz CIULNXDUTVRHAH-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CCc1ccc([C@H](CNC(=O)NC[C@H](C)[NH+](C)C)N(C)C)cc1 ZINC000457470315 276672415 /nfs/dbraw/zinc/67/24/15/276672415.db2.gz GEHFRMJTSCXQOQ-YOEHRIQHSA-N 1 3 320.481 2.101 20 0 DEADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc4c(c3)CNC4)C2)C1 ZINC000416002876 277071309 /nfs/dbraw/zinc/07/13/09/277071309.db2.gz DNKSFVIIEKVEMU-GOSISDBHSA-N 1 3 314.433 2.239 20 0 DEADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc4c(c3)CNC4)C2)C1 ZINC000416002876 277071310 /nfs/dbraw/zinc/07/13/10/277071310.db2.gz DNKSFVIIEKVEMU-GOSISDBHSA-N 1 3 314.433 2.239 20 0 DEADHO CN1CCN(CC[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1(C)C ZINC000441360834 277106046 /nfs/dbraw/zinc/10/60/46/277106046.db2.gz YJGZJHXNGVNQOM-ZWKOTPCHSA-N 1 3 301.478 2.406 20 0 DEADHO C[NH2+]C[C@H](C)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000168512149 277280800 /nfs/dbraw/zinc/28/08/00/277280800.db2.gz PYCBZMHPKSWODH-BQFCYCMXSA-N 1 3 317.477 2.353 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)N1CCCCC1 ZINC000353388831 277860542 /nfs/dbraw/zinc/86/05/42/277860542.db2.gz QBFBEPVEUAQAAA-QZTJIDSGSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H](N)c1ccccc1 ZINC000178815535 278135045 /nfs/dbraw/zinc/13/50/45/278135045.db2.gz QPFIHTHLOVIRLV-WTTBNOFXSA-N 1 3 303.450 2.264 20 0 DEADHO C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H](N)c1ccccc1 ZINC000178815535 278135047 /nfs/dbraw/zinc/13/50/47/278135047.db2.gz QPFIHTHLOVIRLV-WTTBNOFXSA-N 1 3 303.450 2.264 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106530758 278186376 /nfs/dbraw/zinc/18/63/76/278186376.db2.gz IJQRQGPJENXDDJ-HZPDHXFCSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106530758 278186377 /nfs/dbraw/zinc/18/63/77/278186377.db2.gz IJQRQGPJENXDDJ-HZPDHXFCSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCN1CCc2sccc2C1 ZINC000132859602 288102051 /nfs/dbraw/zinc/10/20/51/288102051.db2.gz MHDBBEMGDBBQPX-YCPHGPKFSA-N 1 3 307.507 2.425 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCN1CCc2sccc2C1 ZINC000132859602 288102053 /nfs/dbraw/zinc/10/20/53/288102053.db2.gz MHDBBEMGDBBQPX-YCPHGPKFSA-N 1 3 307.507 2.425 20 0 DEADHO C[C@H](C(=O)NC[C@@H]1CCCCN1C1CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000434447462 279224480 /nfs/dbraw/zinc/22/44/80/279224480.db2.gz ZXCDVCKYTCKTJL-DLTWYDFYSA-N 1 3 307.482 2.381 20 0 DEADHO C[C@H](C(=O)NC[C@@H]1CCCCN1C1CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000434447462 279224484 /nfs/dbraw/zinc/22/44/84/279224484.db2.gz ZXCDVCKYTCKTJL-DLTWYDFYSA-N 1 3 307.482 2.381 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000085361111 279272051 /nfs/dbraw/zinc/27/20/51/279272051.db2.gz WIKTUZSEYVFGDG-LSDHHAIUSA-N 1 3 312.502 2.136 20 0 DEADHO CC(C)N(C(=O)CN1CCC([C@@H]2CC[NH2+]C2)CC1)C1CCCC1 ZINC000357078637 279276814 /nfs/dbraw/zinc/27/68/14/279276814.db2.gz LQPXIPNVEFLNBD-QGZVFWFLSA-N 1 3 321.509 2.488 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000246814081 279281263 /nfs/dbraw/zinc/28/12/63/279281263.db2.gz DIEFTQOYMDZTLN-SJORKVTESA-N 1 3 324.513 2.138 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000246814081 279281266 /nfs/dbraw/zinc/28/12/66/279281266.db2.gz DIEFTQOYMDZTLN-SJORKVTESA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)N(CC[NH+](C)C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000157171627 279430399 /nfs/dbraw/zinc/43/03/99/279430399.db2.gz KPJDXMRZIIGCJN-QGZVFWFLSA-N 1 3 320.481 2.271 20 0 DEADHO CC(C)[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH+]1CCC(C)CC1 ZINC000362391239 279849478 /nfs/dbraw/zinc/84/94/78/279849478.db2.gz OPUJOKFMWVNZPH-SJORKVTESA-N 1 3 311.514 2.445 20 0 DEADHO CC[C@@H](C)N[C@H](CNC(=O)NCC[C@H]1CCC[NH2+]1)c1ccco1 ZINC000418161391 280112577 /nfs/dbraw/zinc/11/25/77/280112577.db2.gz FDOULWYOOQXUQR-RBSFLKMASA-N 1 3 322.453 2.150 20 0 DEADHO C[C@]1(C[NH3+])CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000262105198 280154001 /nfs/dbraw/zinc/15/40/01/280154001.db2.gz VGYVMCUIPKFHFV-GOSISDBHSA-N 1 3 301.434 2.093 20 0 DEADHO CC[C@H]([NH2+]Cc1ccccc1N1CCN(CC)CC1)[C@H](C)O ZINC000449546367 280947351 /nfs/dbraw/zinc/94/73/51/280947351.db2.gz VKUDLXYJFWEZBL-RDJZCZTQSA-N 1 3 305.466 2.078 20 0 DEADHO C[NH+](C)CC[C@H](NC(=O)N1CC[C@H](N2CCCC2)C1)C(C)(C)C ZINC000116567263 289182776 /nfs/dbraw/zinc/18/27/76/289182776.db2.gz BEWTWWCNIIYSOT-HOTGVXAUSA-N 1 3 324.513 2.233 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CCCOCC(F)(F)F ZINC000371291845 289333895 /nfs/dbraw/zinc/33/38/95/289333895.db2.gz AASSBNQEAGHBNP-RDBSUJKOSA-N 1 3 324.387 2.139 20 0 DEADHO C[C@H](C(=O)NC1CC[NH+](C2CCC2)CC1)N1CCCCCC1 ZINC000456682539 289348136 /nfs/dbraw/zinc/34/81/36/289348136.db2.gz KHLOWEQDWRAPHG-OAHLLOKOSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@H](CNC(=O)c1ccc2c(c1)CNC2)[NH+]1CCC(C)CC1 ZINC000347514314 289685517 /nfs/dbraw/zinc/68/55/17/289685517.db2.gz FQTGJRJSEWQQTF-CQSZACIVSA-N 1 3 301.434 2.140 20 0 DEADHO CCCC[NH+]1CCC([C@H](C)NC(=O)C2(N(C)C)CCC2)CC1 ZINC001423664917 1173476104 /nfs/dbraw/zinc/47/61/04/1173476104.db2.gz WIQGGZLDHMCACS-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CNCCCO2)cc1OC ZINC000423484764 295238967 /nfs/dbraw/zinc/23/89/67/295238967.db2.gz AFEWELUCYICLDT-FMKPAKJESA-N 1 3 322.449 2.164 20 0 DEADHO COc1ccc([C@H](C)[C@@H](C)NC[C@@H]2C[NH2+]CCCO2)cc1OC ZINC000423484764 295238969 /nfs/dbraw/zinc/23/89/69/295238969.db2.gz AFEWELUCYICLDT-FMKPAKJESA-N 1 3 322.449 2.164 20 0 DEADHO O=C(NCC[C@@H]1CC[NH2+]C1)c1cccc(CN2CCCC2)c1 ZINC000262581554 295653616 /nfs/dbraw/zinc/65/36/16/295653616.db2.gz PYEVJFRXQQGFFB-HNNXBMFYSA-N 1 3 301.434 2.012 20 0 DEADHO C[C@H](C(=O)N1CCC2(CCC[N@@H+]2C)CC1)N1[C@H](C)CC[C@@H]1C ZINC000375202048 298010130 /nfs/dbraw/zinc/01/01/30/298010130.db2.gz OQXQETJLEJUMKP-OWCLPIDISA-N 1 3 307.482 2.335 20 0 DEADHO C[C@H](C(=O)N1CCC2(CCC[N@H+]2C)CC1)N1[C@H](C)CC[C@@H]1C ZINC000375202048 298010132 /nfs/dbraw/zinc/01/01/32/298010132.db2.gz OQXQETJLEJUMKP-OWCLPIDISA-N 1 3 307.482 2.335 20 0 DEADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(CCN1CCCCCC1)C1CCC1 ZINC000488871040 300220888 /nfs/dbraw/zinc/22/08/88/300220888.db2.gz PCUFFBFVJBKFTC-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCN1CCCCCC1)C1CCC1 ZINC000488871040 300220892 /nfs/dbraw/zinc/22/08/92/300220892.db2.gz PCUFFBFVJBKFTC-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1CCC[NH2+]C1)N(C)C ZINC000418162738 302206448 /nfs/dbraw/zinc/20/64/48/302206448.db2.gz CWNGARLUOVXXOG-ZOBUZTSGSA-N 1 3 318.465 2.037 20 0 DEADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@H]1CCO[C@H]1C1CC1 ZINC000423009831 304858981 /nfs/dbraw/zinc/85/89/81/304858981.db2.gz FBKPUBIJOFMPOL-PBWTXFEYSA-N 1 3 314.429 2.399 20 0 DEADHO O=C(Nc1cccc2c1CCNC2)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000572594355 325953273 /nfs/dbraw/zinc/95/32/73/325953273.db2.gz GZXUWIROCHQRAK-HXUWFJFHSA-N 1 3 321.424 2.202 20 0 DEADHO CC(C)[NH+]1CCC(N2CCN(C[C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000573613963 326074814 /nfs/dbraw/zinc/07/48/14/326074814.db2.gz NWPABEOPJUTMNH-IEBWSBKVSA-N 1 3 323.525 2.028 20 0 DEADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)C(C)(C)C[NH3+] ZINC000576282488 326282759 /nfs/dbraw/zinc/28/27/59/326282759.db2.gz KFXMOILSEQWIMD-UHFFFAOYSA-N 1 3 318.465 2.131 20 0 DEADHO N[C@@H]1CCC[C@H]([NH2+]C2CCN(C(=O)NC3CCCCC3)CC2)C1 ZINC000576478797 326297141 /nfs/dbraw/zinc/29/71/41/326297141.db2.gz CGMVCPBMIFSPIS-PBHICJAKSA-N 1 3 322.497 2.353 20 0 DEADHO C[C@H]1COCCN1C1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000576955042 326332331 /nfs/dbraw/zinc/33/23/31/326332331.db2.gz VZHKVQFQTDOFNL-IRXDYDNUSA-N 1 3 309.498 2.046 20 0 DEADHO C[C@H]1COCCN1C1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000576955042 326332333 /nfs/dbraw/zinc/33/23/33/326332333.db2.gz VZHKVQFQTDOFNL-IRXDYDNUSA-N 1 3 309.498 2.046 20 0 DEADHO C[C@H]1COCCN1C1CC[NH+](CC[C@@H]2CCCCN2C)CC1 ZINC000576955042 326332336 /nfs/dbraw/zinc/33/23/36/326332336.db2.gz VZHKVQFQTDOFNL-IRXDYDNUSA-N 1 3 309.498 2.046 20 0 DEADHO C[C@H]1COCCN1C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000577020197 326336658 /nfs/dbraw/zinc/33/66/58/326336658.db2.gz CYRZCQLPSAKPMG-KRWDZBQOSA-N 1 3 309.498 2.048 20 0 DEADHO [NH3+]C[C@@H]1CCCN(CCC(=O)NCc2ccccc2Cl)C1 ZINC000577062642 326339717 /nfs/dbraw/zinc/33/97/17/326339717.db2.gz SPEAZNCCUNUSEO-ZDUSSCGKSA-N 1 3 309.841 2.017 20 0 DEADHO CC(C)NCC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000582074104 333200650 /nfs/dbraw/zinc/20/06/50/333200650.db2.gz AIIKHYUHWDYNAO-WMZOPIPTSA-N 1 3 317.477 2.401 20 0 DEADHO CC(C)NCC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000582074104 333200651 /nfs/dbraw/zinc/20/06/51/333200651.db2.gz AIIKHYUHWDYNAO-WMZOPIPTSA-N 1 3 317.477 2.401 20 0 DEADHO C[C@@H](CNC[C@@H](O)Cc1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000582481342 337096725 /nfs/dbraw/zinc/09/67/25/337096725.db2.gz SSFANKYOJPDBQH-YJBOKZPZSA-N 1 3 308.441 2.441 20 0 DEADHO C[C@@H](C[NH2+]C[C@@H](O)Cc1ccc(F)cc1)CN1CCCCC1 ZINC000582481342 337096726 /nfs/dbraw/zinc/09/67/26/337096726.db2.gz SSFANKYOJPDBQH-YJBOKZPZSA-N 1 3 308.441 2.441 20 0 DEADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000398108173 337305659 /nfs/dbraw/zinc/30/56/59/337305659.db2.gz BZWUZASGUHAKHD-FZCLSBEQSA-N 1 3 315.461 2.011 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]([NH2+]CCC(F)(F)F)C1CC1)N(C)C ZINC001376245735 1159281100 /nfs/dbraw/zinc/28/11/00/1159281100.db2.gz UWPXLXRSPMHXDD-CHWSQXEVSA-N 1 3 323.403 2.009 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[N@H+](C)CC1CC(C)(C)C1 ZINC001378136569 1161046297 /nfs/dbraw/zinc/04/62/97/1161046297.db2.gz FHZLLKXTCBPUBN-LSDHHAIUSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[N@@H+](C)CC1CC(C)(C)C1 ZINC001378136569 1161046308 /nfs/dbraw/zinc/04/63/08/1161046308.db2.gz FHZLLKXTCBPUBN-LSDHHAIUSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H](C)CNC/C(Cl)=C/Cl)[NH+](C)C ZINC001378605936 1152391954 /nfs/dbraw/zinc/39/19/54/1152391954.db2.gz YCIJNWFRIWDTSO-BAJBZYGVSA-N 1 3 324.296 2.234 20 0 DEADHO Cc1ccc(F)c(C[NH2+]C[C@H](C)CNC(=O)CN(C)C(C)C)c1 ZINC001378630145 1152400280 /nfs/dbraw/zinc/40/02/80/1152400280.db2.gz BSODEYUHFVIGLW-HNNXBMFYSA-N 1 3 323.456 2.316 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C1C[NH+](CC2=CCCCC2)C1 ZINC001330072789 1149045223 /nfs/dbraw/zinc/04/52/23/1149045223.db2.gz XOEPXUDCACEQNL-HNNXBMFYSA-N 1 3 307.482 2.265 20 0 DEADHO COc1cccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)N(C)C)c1 ZINC000422727415 533719796 /nfs/dbraw/zinc/71/97/96/533719796.db2.gz HJXKXVSVHQYQRI-IXEWLPCDSA-N 1 3 303.450 2.171 20 0 DEADHO CN(CC[N@H+](C)CC1CC2(CCC2)C1)C(=O)[C@@H]1CCCN1C ZINC001401359590 1161949377 /nfs/dbraw/zinc/94/93/77/1161949377.db2.gz NTKGZBSJSXGEDT-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CN(CC[N@@H+](C)CC1CC2(CCC2)C1)C(=O)[C@@H]1CCCN1C ZINC001401359590 1161949378 /nfs/dbraw/zinc/94/93/78/1161949378.db2.gz NTKGZBSJSXGEDT-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000423014273 534069500 /nfs/dbraw/zinc/06/95/00/534069500.db2.gz OOYSDDRYKMZTRL-NXHRZFHOSA-N 1 3 315.461 2.013 20 0 DEADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1cc(F)ccc1C ZINC001378839812 1152463625 /nfs/dbraw/zinc/46/36/25/1152463625.db2.gz FGYINYDWSPVWOF-OAHLLOKOSA-N 1 3 323.456 2.412 20 0 DEADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H]1CCc2ccccc21 ZINC001378841550 1152464109 /nfs/dbraw/zinc/46/41/09/1152464109.db2.gz JTDWWLDEHAGCQQ-MAUKXSAKSA-N 1 3 317.477 2.452 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]C[C@@H]1CCCC(F)(F)C1)N(C)C ZINC001401632341 1162052434 /nfs/dbraw/zinc/05/24/34/1162052434.db2.gz FXKPHGRMNTZMRC-MGPQQGTHSA-N 1 3 319.440 2.246 20 0 DEADHO C[C@H](NC(=O)N(CCC[NH3+])CC1CCCC1)C1=CCN(C)CC1 ZINC000417991367 534207529 /nfs/dbraw/zinc/20/75/29/534207529.db2.gz LKALNDUAAZCLBG-HNNXBMFYSA-N 1 3 322.497 2.187 20 0 DEADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCc1cccc(C(N)=O)c1 ZINC000422949328 534209148 /nfs/dbraw/zinc/20/91/48/534209148.db2.gz VAFMWSQFOLMSHN-WMLDXEAASA-N 1 3 303.450 2.228 20 0 DEADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1ccc(F)cc1 ZINC000422759838 534389615 /nfs/dbraw/zinc/38/96/15/534389615.db2.gz LRMVEXIMNGIALM-JCHJZTRSSA-N 1 3 320.452 2.487 20 0 DEADHO O[C@H](CCc1ccccc1)CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423028714 534426451 /nfs/dbraw/zinc/42/64/51/534426451.db2.gz GYDZHFBEFDHEDZ-AKHDSKFASA-N 1 3 302.462 2.490 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000105100488 519677553 /nfs/dbraw/zinc/67/75/53/519677553.db2.gz MGAINZKWVNVVOQ-OAHLLOKOSA-N 1 3 322.497 2.033 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000105100488 519677555 /nfs/dbraw/zinc/67/75/55/519677555.db2.gz MGAINZKWVNVVOQ-OAHLLOKOSA-N 1 3 322.497 2.033 20 0 DEADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000338278710 519861777 /nfs/dbraw/zinc/86/17/77/519861777.db2.gz GLGOPRYHIMSAPW-INIZCTEOSA-N 1 3 324.513 2.282 20 0 DEADHO CCC[N@H+]1CC[C@@H](CNC(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000338278710 519861778 /nfs/dbraw/zinc/86/17/78/519861778.db2.gz GLGOPRYHIMSAPW-INIZCTEOSA-N 1 3 324.513 2.282 20 0 DEADHO c1ccc(C2(CN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422814442 534481303 /nfs/dbraw/zinc/48/13/03/534481303.db2.gz UUXYTAAWIWKLKF-OKZBNKHCSA-N 1 3 300.446 2.465 20 0 DEADHO CCN(CCNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C)C1CC1 ZINC000338473370 521059950 /nfs/dbraw/zinc/05/99/50/521059950.db2.gz CRRLQTMLVRBNJU-LSDHHAIUSA-N 1 3 310.486 2.033 20 0 DEADHO CCN(CCNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000338473370 521059961 /nfs/dbraw/zinc/05/99/61/521059961.db2.gz CRRLQTMLVRBNJU-LSDHHAIUSA-N 1 3 310.486 2.033 20 0 DEADHO CCC[C@H](N)C(=O)N1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000365001003 521106530 /nfs/dbraw/zinc/10/65/30/521106530.db2.gz JRSIADPVDRALJP-SQNIBIBYSA-N 1 3 317.477 2.313 20 0 DEADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@H]([NH3+])C(C)C)c1 ZINC000418400876 534705282 /nfs/dbraw/zinc/70/52/82/534705282.db2.gz HOIIMKQGQHWDLU-KRWDZBQOSA-N 1 3 320.481 2.052 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)[C@@H](CC)N(C)C)[NH+](C)C)cc1 ZINC000124588443 524029772 /nfs/dbraw/zinc/02/97/72/524029772.db2.gz WZXKRROOSTVCCJ-IAGOWNOFSA-N 1 3 305.466 2.308 20 0 DEADHO CC(=O)Nc1cccc(OCCN[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422935474 527075640 /nfs/dbraw/zinc/07/56/40/527075640.db2.gz ANBFVTKWGBOIJJ-RHSMWYFYSA-N 1 3 305.422 2.131 20 0 DEADHO CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CCCC[C@@H]2CN)c1 ZINC000422935474 527075643 /nfs/dbraw/zinc/07/56/43/527075643.db2.gz ANBFVTKWGBOIJJ-RHSMWYFYSA-N 1 3 305.422 2.131 20 0 DEADHO CC(C)(C(=O)N1CCC[C@@H](CC[NH3+])C1)[C@@H](N)c1ccccc1 ZINC000417814360 527505300 /nfs/dbraw/zinc/50/53/00/527505300.db2.gz APSUBSPWWWTHKV-HOCLYGCPSA-N 1 3 303.450 2.300 20 0 DEADHO CC(C)(C(=O)NCCC[C@H]1CCC[NH2+]1)[C@H](N)c1ccccc1 ZINC000417841290 527518787 /nfs/dbraw/zinc/51/87/87/527518787.db2.gz SXXKCTQVZKEVDE-HZPDHXFCSA-N 1 3 303.450 2.361 20 0 DEADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000448253929 527732559 /nfs/dbraw/zinc/73/25/59/527732559.db2.gz ZEUWKQIQFZOQOL-MRXNPFEDSA-N 1 3 324.513 2.279 20 0 DEADHO CCO[C@@H]1COCC[C@@H]1N[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423034578 527772457 /nfs/dbraw/zinc/77/24/57/527772457.db2.gz IGTVLQUNAANKCY-XLAORIBOSA-N 1 3 304.434 2.263 20 0 DEADHO CC(C)O[C@@H]1C[C@H](N[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1(C)C ZINC000423052992 528067010 /nfs/dbraw/zinc/06/70/10/528067010.db2.gz RSTRFPTTZPDRAH-JZAWBGDQSA-N 1 3 310.482 2.325 20 0 DEADHO CC[NH+](CC)CCOc1ccc(NC(=O)C2(N)CCC2)cc1 ZINC000296620753 528151974 /nfs/dbraw/zinc/15/19/74/528151974.db2.gz BCFIDPUTYGJQDG-UHFFFAOYSA-N 1 3 305.422 2.227 20 0 DEADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000447953770 528259309 /nfs/dbraw/zinc/25/93/09/528259309.db2.gz JRCSGCNARNRWEK-HZPDHXFCSA-N 1 3 324.513 2.138 20 0 DEADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000447953770 528259311 /nfs/dbraw/zinc/25/93/11/528259311.db2.gz JRCSGCNARNRWEK-HZPDHXFCSA-N 1 3 324.513 2.138 20 0 DEADHO CC[NH2+]CC1CCN(C(=O)NC[C@H](C)N2CCC(C)CC2)CC1 ZINC000417316593 528283469 /nfs/dbraw/zinc/28/34/69/528283469.db2.gz UOGMHGUJWWIJQY-INIZCTEOSA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000418095647 528504033 /nfs/dbraw/zinc/50/40/33/528504033.db2.gz HFIWOVZXVDWMKF-GJZGRUSLSA-N 1 3 312.502 2.122 20 0 DEADHO CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CCNCC[C@@H]2C)CC1 ZINC000422699187 528721105 /nfs/dbraw/zinc/72/11/05/528721105.db2.gz AINDESKUBCXUCS-WMLDXEAASA-N 1 3 309.498 2.391 20 0 DEADHO CCC(CC)[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)N1CCOCC1 ZINC000422816062 528856685 /nfs/dbraw/zinc/85/66/85/528856685.db2.gz DDFMEQNRUPNRFD-SQNIBIBYSA-N 1 3 311.514 2.231 20 0 DEADHO CCC(CC)[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])N1CCOCC1 ZINC000422816062 528856689 /nfs/dbraw/zinc/85/66/89/528856689.db2.gz DDFMEQNRUPNRFD-SQNIBIBYSA-N 1 3 311.514 2.231 20 0 DEADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@H](N)c1ccccc1CC ZINC000418443556 528943174 /nfs/dbraw/zinc/94/31/74/528943174.db2.gz LLWJUEBZFYZIJU-ZBFHGGJFSA-N 1 3 306.454 2.066 20 0 DEADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000447954883 528999095 /nfs/dbraw/zinc/99/90/95/528999095.db2.gz NBLGEFNPWFQOIP-HZPDHXFCSA-N 1 3 324.513 2.280 20 0 DEADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000447954883 528999100 /nfs/dbraw/zinc/99/91/00/528999100.db2.gz NBLGEFNPWFQOIP-HZPDHXFCSA-N 1 3 324.513 2.280 20 0 DEADHO CC[C@@H](N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423106521 529207983 /nfs/dbraw/zinc/20/79/83/529207983.db2.gz ZXJSBJXIPFWXQD-TWMKSMIVSA-N 1 3 307.482 2.288 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000246951545 535148232 /nfs/dbraw/zinc/14/82/32/535148232.db2.gz KNHBJQOULHVMCX-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N1CC[C@H](N(C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000458515212 535242058 /nfs/dbraw/zinc/24/20/58/535242058.db2.gz KXELPLRXSUOUPV-CABCVRRESA-N 1 3 312.502 2.087 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000246552011 535484705 /nfs/dbraw/zinc/48/47/05/535484705.db2.gz DGCXZKZFDZMDER-SJORKVTESA-N 1 3 322.497 2.131 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H](C)CCCc2cccnc2)CC1 ZINC000453078886 535698493 /nfs/dbraw/zinc/69/84/93/535698493.db2.gz KTBNFQXYAQQBHR-GOSISDBHSA-N 1 3 318.509 2.410 20 0 DEADHO CCc1cccc(NC(=[NH2+])NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000360572870 535893865 /nfs/dbraw/zinc/89/38/65/535893865.db2.gz NLMZIAPAFJNWCL-HOTGVXAUSA-N 1 3 302.422 2.048 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000449205826 536023201 /nfs/dbraw/zinc/02/32/01/536023201.db2.gz OEXHUABZZRNELH-MSOLQXFVSA-N 1 3 315.461 2.210 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000372968107 536042584 /nfs/dbraw/zinc/04/25/84/536042584.db2.gz XPOCWEXJUKRAGQ-MRXNPFEDSA-N 1 3 301.434 2.059 20 0 DEADHO CN(C)Cc1cnc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)s1 ZINC000349148187 536054732 /nfs/dbraw/zinc/05/47/32/536054732.db2.gz JFYDCFYCVDUKFW-HNNXBMFYSA-N 1 3 322.522 2.368 20 0 DEADHO CN[C@H](CC(C)(C)C)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000449138167 536408716 /nfs/dbraw/zinc/40/87/16/536408716.db2.gz HHZVJVMILRCDCW-HZPDHXFCSA-N 1 3 309.498 2.391 20 0 DEADHO CN[C@H](CC(C)(C)C)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000449138167 536408718 /nfs/dbraw/zinc/40/87/18/536408718.db2.gz HHZVJVMILRCDCW-HZPDHXFCSA-N 1 3 309.498 2.391 20 0 DEADHO COc1cccc(N2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000261962856 537123000 /nfs/dbraw/zinc/12/30/00/537123000.db2.gz PAMIXDRNJSELBU-INIZCTEOSA-N 1 3 303.450 2.207 20 0 DEADHO CC(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCN1C(C)C ZINC001379014875 1152532114 /nfs/dbraw/zinc/53/21/14/1152532114.db2.gz OCBWPGWRLNKCAR-SJORKVTESA-N 1 3 309.498 2.342 20 0 DEADHO CC[C@H](C(=O)N(C)CC[N@H+](C)[C@H]1CCc2ccccc21)N(C)C ZINC001379078334 1152559520 /nfs/dbraw/zinc/55/95/20/1152559520.db2.gz RPEWVXWCEHRSNA-MSOLQXFVSA-N 1 3 317.477 2.404 20 0 DEADHO CC[C@H](C(=O)N(C)CC[N@@H+](C)[C@H]1CCc2ccccc21)N(C)C ZINC001379078334 1152559521 /nfs/dbraw/zinc/55/95/21/1152559521.db2.gz RPEWVXWCEHRSNA-MSOLQXFVSA-N 1 3 317.477 2.404 20 0 DEADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CCc1cccs1)N(C)C ZINC001379235174 1152594858 /nfs/dbraw/zinc/59/48/58/1152594858.db2.gz YVCLUJMWGVPZCT-ZFWWWQNUSA-N 1 3 311.495 2.067 20 0 DEADHO C[C@@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)C1(N(C)C)CCC1 ZINC001379516767 1152635909 /nfs/dbraw/zinc/63/59/09/1152635909.db2.gz OSHYIWNGPBWNHJ-AWEZNQCLSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@@H]1C[C@H](NC/C=C\Cl)CN1C(=O)CC1CC[NH+](C)CC1 ZINC001379588472 1152647183 /nfs/dbraw/zinc/64/71/83/1152647183.db2.gz SYDMXRNLKGHNBG-LXJUILQBSA-N 1 3 313.873 2.050 20 0 DEADHO CC(C)[C@H](C(=O)NC1CC(C[NH2+]Cc2ccccc2)C1)N(C)C ZINC001368818312 1148688471 /nfs/dbraw/zinc/68/84/71/1148688471.db2.gz LJGCNISRZUZSGQ-DAWZGUTISA-N 1 3 317.477 2.257 20 0 DEADHO CC[C@H](F)C[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC001382364947 1153437094 /nfs/dbraw/zinc/43/70/94/1153437094.db2.gz SUTBJNRJTZMVIZ-KBPBESRZSA-N 1 3 313.461 2.045 20 0 DEADHO CC[C@@H](CO)[NH+]1CCN(c2ccnc3ccc(OC)cc32)CC1 ZINC000892714122 625454663 /nfs/dbraw/zinc/45/46/63/625454663.db2.gz VKVONBSJDRMMBP-AWEZNQCLSA-N 1 3 315.417 2.136 20 0 DEADHO CC1(C)[C@H](N[C@H](CCO)Cc2ccccc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925661403 625565211 /nfs/dbraw/zinc/56/52/11/625565211.db2.gz DDJXPZWKKXDKSJ-ZJPYXAASSA-N 1 3 302.462 2.346 20 0 DEADHO CC1(C)[C@H]([NH2+][C@H](CCO)Cc2ccccc2)[C@@H]2CCCN[C@@H]21 ZINC000925661403 625565219 /nfs/dbraw/zinc/56/52/19/625565219.db2.gz DDJXPZWKKXDKSJ-ZJPYXAASSA-N 1 3 302.462 2.346 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCC2CC2)C1 ZINC000969649752 622863715 /nfs/dbraw/zinc/86/37/15/622863715.db2.gz PREABCYBJLWAOK-RHSMWYFYSA-N 1 3 307.482 2.096 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCC2CC2)C1 ZINC000969794035 622923859 /nfs/dbraw/zinc/92/38/59/622923859.db2.gz ULQSITKTSNNAKX-RHSMWYFYSA-N 1 3 307.482 2.097 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC[C@@H]([NH2+]Cc3ccccc3)C2)C1 ZINC000969965538 623024672 /nfs/dbraw/zinc/02/46/72/623024672.db2.gz SDRQDCFWFVEUJU-QGZVFWFLSA-N 1 3 315.461 2.109 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC[C@@H]([NH2+]Cc3ccsc3)C2)C1 ZINC000969967365 623029287 /nfs/dbraw/zinc/02/92/87/623029287.db2.gz BLDKKAQXORZBFO-OAHLLOKOSA-N 1 3 321.490 2.171 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccccc2)C1)N(C)C ZINC000969986345 623039130 /nfs/dbraw/zinc/03/91/30/623039130.db2.gz YGYPCARPTDJUDW-UAGQMJEPSA-N 1 3 303.450 2.278 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001020980700 623235959 /nfs/dbraw/zinc/23/59/59/623235959.db2.gz RQFSUJNZXNUUQS-HCPPMPIYSA-N 1 3 318.465 2.324 20 0 DEADHO CC(C)[NH+]1CC([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC000970928425 623797325 /nfs/dbraw/zinc/79/73/25/623797325.db2.gz KSCLQYWDDFTYAL-AWEZNQCLSA-N 1 3 303.450 2.207 20 0 DEADHO CCC[NH+]1CC([C@@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC000970928138 623797791 /nfs/dbraw/zinc/79/77/91/623797791.db2.gz JQEZQHSYTSWKER-CQSZACIVSA-N 1 3 303.450 2.208 20 0 DEADHO CC(C)[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021670605 623930193 /nfs/dbraw/zinc/93/01/93/623930193.db2.gz MWQXYLJBCTWMRZ-SJORKVTESA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021670605 623930198 /nfs/dbraw/zinc/93/01/98/623930198.db2.gz MWQXYLJBCTWMRZ-SJORKVTESA-N 1 3 321.509 2.440 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]2C[N@H+](CC3CCC3)CC[C@@H]21 ZINC001021679510 623946290 /nfs/dbraw/zinc/94/62/90/623946290.db2.gz ONLHJUULQFQVFM-WBVHZDCISA-N 1 3 316.449 2.065 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]2C[N@@H+](CC3CCC3)CC[C@@H]21 ZINC001021679510 623946297 /nfs/dbraw/zinc/94/62/97/623946297.db2.gz ONLHJUULQFQVFM-WBVHZDCISA-N 1 3 316.449 2.065 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N1C[C@@H]([NH3+])C[C@H]1C)c1ccsc1 ZINC000891349366 624047480 /nfs/dbraw/zinc/04/74/80/624047480.db2.gz TXIUUNKPKSPNMG-VHDGCEQUSA-N 1 3 324.494 2.262 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001026734627 625703488 /nfs/dbraw/zinc/70/34/88/625703488.db2.gz QTNJLTADHLZQKY-WBVHZDCISA-N 1 3 319.493 2.099 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC2CC(C)(C)C2)C1)C1CC1 ZINC000971686604 624506645 /nfs/dbraw/zinc/50/66/45/624506645.db2.gz UHCPOSLHJBHAAX-DLBZAZTESA-N 1 3 321.509 2.296 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C1)C1CC1 ZINC000971686604 624506646 /nfs/dbraw/zinc/50/66/46/624506646.db2.gz UHCPOSLHJBHAAX-DLBZAZTESA-N 1 3 321.509 2.296 20 0 DEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N(C)[C@H]2CCCN(C)C2)C1 ZINC000891903350 624655071 /nfs/dbraw/zinc/65/50/71/624655071.db2.gz KCRJBPBNHHLEJE-IRXDYDNUSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N(C)[C@H]2CCCN(C)C2)C1 ZINC000891903350 624655073 /nfs/dbraw/zinc/65/50/73/624655073.db2.gz KCRJBPBNHHLEJE-IRXDYDNUSA-N 1 3 324.513 2.234 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)CC[NH2+]C(C)(C)C ZINC000934359142 624856808 /nfs/dbraw/zinc/85/68/08/624856808.db2.gz JQVBNZIYDICIIZ-UHFFFAOYSA-N 1 3 311.495 2.417 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001022713964 624866353 /nfs/dbraw/zinc/86/63/53/624866353.db2.gz OCLRBWYTJUJKTC-CWRNSKLLSA-N 1 3 307.482 2.001 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@@H]2C[C@H]([NH2+]CC3CCC(C)CC3)C2)C1 ZINC001022715795 624868537 /nfs/dbraw/zinc/86/85/37/624868537.db2.gz MXANRUKSCQESCH-YVZBVZGPSA-N 1 3 321.509 2.391 20 0 DEADHO C[N@H+](CCC1CCCCC1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972429431 625073905 /nfs/dbraw/zinc/07/39/05/625073905.db2.gz GNUJNOPNVMMGJO-KRWDZBQOSA-N 1 3 318.465 2.455 20 0 DEADHO C[N@@H+](CCC1CCCCC1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972429431 625073910 /nfs/dbraw/zinc/07/39/10/625073910.db2.gz GNUJNOPNVMMGJO-KRWDZBQOSA-N 1 3 318.465 2.455 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1 ZINC001023128541 625164909 /nfs/dbraw/zinc/16/49/09/625164909.db2.gz JFLJFHHDHNXJFU-BBWFWOEESA-N 1 3 307.482 2.288 20 0 DEADHO CC1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]CC2CC2)CC1 ZINC001025123342 625225982 /nfs/dbraw/zinc/22/59/82/625225982.db2.gz ZDSNDKVSFZKFFT-QGZVFWFLSA-N 1 3 307.482 2.099 20 0 DEADHO CN(CC(=O)N1C[C@@H]2CC[C@H]([NH2+]CCC3CC3)[C@H]2C1)C1CCC1 ZINC001026285017 625261859 /nfs/dbraw/zinc/26/18/59/625261859.db2.gz WXCJWGFGDOCHAW-SZMVWBNQSA-N 1 3 319.493 2.097 20 0 DEADHO CCC1([NH3+])CCN(C(=O)N(CCN(C)C)C2CCCC2)CC1 ZINC000892925438 625719154 /nfs/dbraw/zinc/71/91/54/625719154.db2.gz SQOYSHSKLHKZAZ-UHFFFAOYSA-N 1 3 310.486 2.116 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CC1 ZINC001024470480 625799162 /nfs/dbraw/zinc/79/91/62/625799162.db2.gz ZWOMOZAFTKMBPJ-IAGOWNOFSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CC1 ZINC001024470480 625799170 /nfs/dbraw/zinc/79/91/70/625799170.db2.gz ZWOMOZAFTKMBPJ-IAGOWNOFSA-N 1 3 307.482 2.242 20 0 DEADHO CCc1cccc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001019775881 625832610 /nfs/dbraw/zinc/83/26/10/625832610.db2.gz KYGMAZARIHJQTI-SFHVURJKSA-N 1 3 315.461 2.035 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001007742560 625844314 /nfs/dbraw/zinc/84/43/14/625844314.db2.gz FQDRUQHFVZMVBY-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001007742560 625844320 /nfs/dbraw/zinc/84/43/20/625844320.db2.gz FQDRUQHFVZMVBY-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccsc2)C1)C1CC1 ZINC000999377633 634572711 /nfs/dbraw/zinc/57/27/11/634572711.db2.gz WPMHTGLNVQAJNN-HOTGVXAUSA-N 1 3 321.490 2.169 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccsc2)C1)C1CC1 ZINC000999377630 634573068 /nfs/dbraw/zinc/57/30/68/634573068.db2.gz WPMHTGLNVQAJNN-CVEARBPZSA-N 1 3 321.490 2.169 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CC2CCCCC2)C1)C1CC1 ZINC000999372020 634578217 /nfs/dbraw/zinc/57/82/17/634578217.db2.gz NVPNBABFDJDVGG-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2cccc(C)c2)C1)N(C)C ZINC000999490730 634619931 /nfs/dbraw/zinc/61/99/31/634619931.db2.gz SGVQOSFQPAORTK-ZWKOTPCHSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1cnc(Cl)c(C[NH2+]C[C@@H](C)CN2CCN(C)CC2)c1 ZINC000921685080 634633607 /nfs/dbraw/zinc/63/36/07/634633607.db2.gz FLYCBWCGFYXYHF-CQSZACIVSA-N 1 3 310.873 2.017 20 0 DEADHO CC1CCN(CC(=O)N(C)C2CC([NH2+]CCC3CC3)C2)CC1 ZINC000999597507 634641114 /nfs/dbraw/zinc/64/11/14/634641114.db2.gz FQNXEJCPWNOBMV-UHFFFAOYSA-N 1 3 307.482 2.097 20 0 DEADHO CC1CC(C[NH2+][C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001000196874 634786250 /nfs/dbraw/zinc/78/62/50/634786250.db2.gz HHEJOZOMXKCFGJ-OFLPRAFFSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]Cc3ccsc3)C2)C1 ZINC001000203071 634788682 /nfs/dbraw/zinc/78/86/82/634788682.db2.gz VFKAFWKOGMLNMA-HOCLYGCPSA-N 1 3 321.490 2.171 20 0 DEADHO COC(=O)[C@H](C)Oc1ccccc1C[NH2+]C[C@H]1CCCN(C)C1 ZINC000921714475 634803908 /nfs/dbraw/zinc/80/39/08/634803908.db2.gz ASYQEZZNCPRCOJ-LSDHHAIUSA-N 1 3 320.433 2.058 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC2CCC2)C(C)(C)C1 ZINC000995790142 633122410 /nfs/dbraw/zinc/12/24/10/633122410.db2.gz AXWTVPSLDFLEKY-DLBZAZTESA-N 1 3 321.509 2.486 20 0 DEADHO CN(C)[C@H](C(=O)N1C[C@H]([NH2+]CC2CCCC2)C(C)(C)C1)C1CC1 ZINC000995892919 633133837 /nfs/dbraw/zinc/13/38/37/633133837.db2.gz GLZBRZHJPQFJGF-IRXDYDNUSA-N 1 3 321.509 2.343 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]CC2CCC2)C(C)(C)C1 ZINC000996301177 633231847 /nfs/dbraw/zinc/23/18/47/633231847.db2.gz RDSQPXSCLUIOCH-GOEBONIOSA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]CC2CC(C)(C)C2)C1)C1CC1 ZINC001026888937 633243282 /nfs/dbraw/zinc/24/32/82/633243282.db2.gz PHZACOIBQVDYLB-RHSMWYFYSA-N 1 3 321.509 2.201 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CC2CCCCC2)C1)N(C)C ZINC001026916833 633262851 /nfs/dbraw/zinc/26/28/51/633262851.db2.gz PWQWHZSDPGWPBK-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CC[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC1(C)C ZINC000996667279 633338974 /nfs/dbraw/zinc/33/89/74/633338974.db2.gz WBXOSWDHNCPBMZ-MRXNPFEDSA-N 1 3 303.450 2.208 20 0 DEADHO C[NH+](C)CCCCCCCNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000734272862 633348952 /nfs/dbraw/zinc/34/89/52/633348952.db2.gz UZLITEOUSPYKLP-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2)C1)N(C)C ZINC001027044524 633370081 /nfs/dbraw/zinc/37/00/81/633370081.db2.gz YCUUMICKENSROO-ZWKOTPCHSA-N 1 3 317.477 2.211 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001027062818 633384541 /nfs/dbraw/zinc/38/45/41/633384541.db2.gz CFJMIPJJPFKDTB-FUHWJXTLSA-N 1 3 319.493 2.409 20 0 DEADHO CCN1C[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975039979 633394329 /nfs/dbraw/zinc/39/43/29/633394329.db2.gz OLKQIGSGKPXVNE-GUYCJALGSA-N 1 3 313.461 2.045 20 0 DEADHO CCN1C[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975039979 633394330 /nfs/dbraw/zinc/39/43/30/633394330.db2.gz OLKQIGSGKPXVNE-GUYCJALGSA-N 1 3 313.461 2.045 20 0 DEADHO Cc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001027217196 633500763 /nfs/dbraw/zinc/50/07/63/633500763.db2.gz HDUSKISZONFGOZ-SFHVURJKSA-N 1 3 315.461 2.029 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]Cc2ccsc2)CC1 ZINC000997001302 633558156 /nfs/dbraw/zinc/55/81/56/633558156.db2.gz UDHLXXAAVCOMIM-AWEZNQCLSA-N 1 3 321.490 2.313 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCC2)C1)C1CC1 ZINC001027444893 633795808 /nfs/dbraw/zinc/79/58/08/633795808.db2.gz VIIOIWLBDRQTDY-MSOLQXFVSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCC2)C1)C1CC1 ZINC001027444893 633795812 /nfs/dbraw/zinc/79/58/12/633795812.db2.gz VIIOIWLBDRQTDY-MSOLQXFVSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](C(C)C)CC1 ZINC000997587896 633888189 /nfs/dbraw/zinc/88/81/89/633888189.db2.gz QDFINKUICZOCAO-DOTOQJQBSA-N 1 3 309.498 2.484 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CC2=CCCCC2)CC1 ZINC000997609070 633899065 /nfs/dbraw/zinc/89/90/65/633899065.db2.gz XZSDELSQTRMTCF-GOSISDBHSA-N 1 3 319.493 2.409 20 0 DEADHO CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2ccsc2)CC1)N(C)C ZINC000998087357 634136586 /nfs/dbraw/zinc/13/65/86/634136586.db2.gz VGJZOCMCSXYMFV-INIZCTEOSA-N 1 3 323.506 2.417 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CCC2CC2)C1 ZINC000980486579 635017665 /nfs/dbraw/zinc/01/76/65/635017665.db2.gz USHPTIAMLAPZGE-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCC2CC2)C1 ZINC000980486579 635017671 /nfs/dbraw/zinc/01/76/71/635017671.db2.gz USHPTIAMLAPZGE-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1C[C@@H](C[NH2+]CC2CCC2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000980700379 635098090 /nfs/dbraw/zinc/09/80/90/635098090.db2.gz NAFYPXWIKLDOLV-RDJZCZTQSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN1CCCF ZINC001027986444 635165377 /nfs/dbraw/zinc/16/53/77/635165377.db2.gz XCGTWBLDMXMFCY-JKSUJKDBSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN1CCCF ZINC001027986444 635165380 /nfs/dbraw/zinc/16/53/80/635165380.db2.gz XCGTWBLDMXMFCY-JKSUJKDBSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CC1 ZINC001027985320 635167599 /nfs/dbraw/zinc/16/75/99/635167599.db2.gz GRCVUSVEGWRBEG-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1CC1 ZINC001027985320 635167602 /nfs/dbraw/zinc/16/76/02/635167602.db2.gz GRCVUSVEGWRBEG-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](NCCF)C1 ZINC001000665472 635262873 /nfs/dbraw/zinc/26/28/73/635262873.db2.gz SODBUGKVZTWOPI-HZPDHXFCSA-N 1 3 313.461 2.191 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](NCCF)C1 ZINC001000665472 635262876 /nfs/dbraw/zinc/26/28/76/635262876.db2.gz SODBUGKVZTWOPI-HZPDHXFCSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCC1=CC[N@H+](CCC2CC2)CC1 ZINC001000679169 635274228 /nfs/dbraw/zinc/27/42/28/635274228.db2.gz OLLVYFCBQKMRMZ-GOSISDBHSA-N 1 3 319.493 2.408 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCC1=CC[N@@H+](CCC2CC2)CC1 ZINC001000679169 635274232 /nfs/dbraw/zinc/27/42/32/635274232.db2.gz OLLVYFCBQKMRMZ-GOSISDBHSA-N 1 3 319.493 2.408 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC000981486227 635500556 /nfs/dbraw/zinc/50/05/56/635500556.db2.gz MWZAELLTBLFFBK-CVEARBPZSA-N 1 3 318.465 2.468 20 0 DEADHO CC[NH2+][C@H]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000981538590 635521988 /nfs/dbraw/zinc/52/19/88/635521988.db2.gz PTRAFNYOURAZGW-IRXDYDNUSA-N 1 3 303.450 2.399 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCCN(C(=O)[C@H](C2CC2)N2CCCC2)CC1 ZINC000981682270 635593282 /nfs/dbraw/zinc/59/32/82/635593282.db2.gz KIHMTAXEUNVNQP-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCCN(C(=O)[C@H](C2CC2)N2CCCC2)CC1 ZINC000981682270 635593283 /nfs/dbraw/zinc/59/32/83/635593283.db2.gz KIHMTAXEUNVNQP-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CCC[N@H+](CCC(C)C)C2)N(C)C ZINC000981841778 635687344 /nfs/dbraw/zinc/68/73/44/635687344.db2.gz LGBZLLPANPJVBV-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CCC[N@@H+](CCC(C)C)C2)N(C)C ZINC000981841778 635687348 /nfs/dbraw/zinc/68/73/48/635687348.db2.gz LGBZLLPANPJVBV-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001016331174 635789612 /nfs/dbraw/zinc/78/96/12/635789612.db2.gz YPAJTZXBNRWGIF-KRWDZBQOSA-N 1 3 315.461 2.352 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001016331174 635789614 /nfs/dbraw/zinc/78/96/14/635789614.db2.gz YPAJTZXBNRWGIF-KRWDZBQOSA-N 1 3 315.461 2.352 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC3(C2)CCC[N@H+](CC2CC2)C3)C1 ZINC000982009143 635808383 /nfs/dbraw/zinc/80/83/83/635808383.db2.gz HFKNRRGJODORDP-UHFFFAOYSA-N 1 3 319.493 2.053 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC3(C2)CCC[N@@H+](CC2CC2)C3)C1 ZINC000982009143 635808388 /nfs/dbraw/zinc/80/83/88/635808388.db2.gz HFKNRRGJODORDP-UHFFFAOYSA-N 1 3 319.493 2.053 20 0 DEADHO CC(C)CC[N@@H+]1CCCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000982012123 635809324 /nfs/dbraw/zinc/80/93/24/635809324.db2.gz PMWOIVKRUJYNCG-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)CC[N@H+]1CCCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000982012123 635809329 /nfs/dbraw/zinc/80/93/29/635809329.db2.gz PMWOIVKRUJYNCG-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO FCCn1cc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000922077210 635845858 /nfs/dbraw/zinc/84/58/58/635845858.db2.gz PFXBKDHULGIQIS-KRWDZBQOSA-N 1 3 316.424 2.464 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC[C@@H](N(C)C)C(F)(F)F ZINC000925838622 635895633 /nfs/dbraw/zinc/89/56/33/635895633.db2.gz ZTCZVFUWPSDBGF-IINYFYTJSA-N 1 3 318.387 2.382 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC[C@H](N(C)C)C(F)(F)F ZINC000925838628 635896049 /nfs/dbraw/zinc/89/60/49/635896049.db2.gz ZTCZVFUWPSDBGF-YGRLFVJLSA-N 1 3 318.387 2.382 20 0 DEADHO Cc1cc([C@@H](C)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cs1 ZINC000925849280 635946646 /nfs/dbraw/zinc/94/66/46/635946646.db2.gz OFSUBQNGHUAMHP-TZMCWYRMSA-N 1 3 308.447 2.392 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@]2(C)C[N@@H+](C(C)C)C[C@]2(C)C1 ZINC000982292347 635950403 /nfs/dbraw/zinc/95/04/03/635950403.db2.gz GUWKFFLCTXSCIZ-QRQLOZEOSA-N 1 3 321.509 2.440 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@]2(C)C[N@H+](C(C)C)C[C@]2(C)C1 ZINC000982292347 635950404 /nfs/dbraw/zinc/95/04/04/635950404.db2.gz GUWKFFLCTXSCIZ-QRQLOZEOSA-N 1 3 321.509 2.440 20 0 DEADHO Cc1ccc([C@@H](C)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c(C)n1 ZINC000925859233 635959114 /nfs/dbraw/zinc/95/91/14/635959114.db2.gz WKYLPORISGUWNH-HIFRSBDPSA-N 1 3 317.433 2.034 20 0 DEADHO CC[NH+](CC)CC1CCN(C[C@H]2[C@@H](C(=O)OC)C2(F)F)CC1 ZINC000893940156 636069882 /nfs/dbraw/zinc/06/98/82/636069882.db2.gz JXBMUXNJIUNLCL-KBPBESRZSA-N 1 3 318.408 2.095 20 0 DEADHO Cc1ccc(CN2CCC[C@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001028313895 636125238 /nfs/dbraw/zinc/12/52/38/636125238.db2.gz CUHJVJFPFDTWFD-ROUUACIJSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccc(CN2CCC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001028313895 636125239 /nfs/dbraw/zinc/12/52/39/636125239.db2.gz CUHJVJFPFDTWFD-ROUUACIJSA-N 1 3 315.461 2.027 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)CCCCC[NH3+])N(C)C)cc1 ZINC000236991148 636220309 /nfs/dbraw/zinc/22/03/09/636220309.db2.gz VBHLFBABEZGQPT-QGZVFWFLSA-N 1 3 305.466 2.487 20 0 DEADHO CCO[C@@H]1C[C@@H](NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1OC ZINC000894134650 636264755 /nfs/dbraw/zinc/26/47/55/636264755.db2.gz LUFCKXBZQZMFQB-WJFTUGDTSA-N 1 3 318.461 2.291 20 0 DEADHO CCO[C@@H]1C[C@@H](NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1OC ZINC000894134650 636264758 /nfs/dbraw/zinc/26/47/58/636264758.db2.gz LUFCKXBZQZMFQB-WJFTUGDTSA-N 1 3 318.461 2.291 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001028537188 636329423 /nfs/dbraw/zinc/32/94/23/636329423.db2.gz JBRDMAFBBXPVPX-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001028537188 636329425 /nfs/dbraw/zinc/32/94/25/636329425.db2.gz JBRDMAFBBXPVPX-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001028537131 636329673 /nfs/dbraw/zinc/32/96/73/636329673.db2.gz HSXXYGLZXBVJIB-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001028537131 636329677 /nfs/dbraw/zinc/32/96/77/636329677.db2.gz HSXXYGLZXBVJIB-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001028580527 636376034 /nfs/dbraw/zinc/37/60/34/636376034.db2.gz XWFGPQNFRSWKON-QZTJIDSGSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001028580527 636376037 /nfs/dbraw/zinc/37/60/37/636376037.db2.gz XWFGPQNFRSWKON-QZTJIDSGSA-N 1 3 321.509 2.489 20 0 DEADHO CCc1noc([C@@H]2CC[C@H](N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)n1 ZINC000922866477 636447122 /nfs/dbraw/zinc/44/71/22/636447122.db2.gz NOYLKJNWPHSQEW-BARDWOONSA-N 1 3 304.438 2.485 20 0 DEADHO CCc1noc([C@@H]2CC[C@H](N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)n1 ZINC000922866477 636447127 /nfs/dbraw/zinc/44/71/27/636447127.db2.gz NOYLKJNWPHSQEW-BARDWOONSA-N 1 3 304.438 2.485 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004548195 636485242 /nfs/dbraw/zinc/48/52/42/636485242.db2.gz QLNWCTMWQYIBLM-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004548195 636485248 /nfs/dbraw/zinc/48/52/48/636485248.db2.gz QLNWCTMWQYIBLM-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001029005151 636947321 /nfs/dbraw/zinc/94/73/21/636947321.db2.gz XQPJDFSWOKIPLU-INIZCTEOSA-N 1 3 315.461 2.210 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001029005151 636947324 /nfs/dbraw/zinc/94/73/24/636947324.db2.gz XQPJDFSWOKIPLU-INIZCTEOSA-N 1 3 315.461 2.210 20 0 DEADHO [NH3+]C[C@@H]1CCCN(C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000923282404 637083217 /nfs/dbraw/zinc/08/32/17/637083217.db2.gz VJHXFNAYJPVMNV-ZFWWWQNUSA-N 1 3 316.367 2.280 20 0 DEADHO NC1(C[NH2+]C[C@H](O)COc2cccc3ccccc32)CCC1 ZINC000923332746 637120296 /nfs/dbraw/zinc/12/02/96/637120296.db2.gz MRPOFTDRKXMKLI-HNNXBMFYSA-N 1 3 300.402 2.051 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000923333903 637120394 /nfs/dbraw/zinc/12/03/94/637120394.db2.gz ZFVNPFWXCLJKKH-RUENVJTFSA-N 1 3 318.461 2.111 20 0 DEADHO CCN(C[C@@H](O)COc1ccccc1C)[C@@H]1CCC[NH2+]CC1 ZINC000923337269 637122973 /nfs/dbraw/zinc/12/29/73/637122973.db2.gz YDWXSRAZCREHHR-IAGOWNOFSA-N 1 3 306.450 2.199 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000923331630 637124791 /nfs/dbraw/zinc/12/47/91/637124791.db2.gz NHFOQGQLFSZPJX-YUTCNCBUSA-N 1 3 316.367 2.278 20 0 DEADHO NC1(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CCC1 ZINC000923331980 637125004 /nfs/dbraw/zinc/12/50/04/637125004.db2.gz JYTZPOCWXIZZOV-JTQLQIEISA-N 1 3 319.232 2.204 20 0 DEADHO CCOC[C@@H](O)CN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000923341486 637128796 /nfs/dbraw/zinc/12/87/96/637128796.db2.gz KUZVCOZQKZJLGN-JKSUJKDBSA-N 1 3 324.490 2.090 20 0 DEADHO C[C@]1(C[NH3+])CCN(C[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000923357615 637131883 /nfs/dbraw/zinc/13/18/83/637131883.db2.gz ZBDIPUCXBLNNMP-QXAKKESOSA-N 1 3 318.461 2.112 20 0 DEADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000923420112 637174987 /nfs/dbraw/zinc/17/49/87/637174987.db2.gz GBMZUYAPBSOSIC-MJBXVCDLSA-N 1 3 316.367 2.324 20 0 DEADHO Cc1cc(C)c(CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)c(C)n1 ZINC000923443559 637179459 /nfs/dbraw/zinc/17/94/59/637179459.db2.gz FQDDNPCPQNABNH-MRXNPFEDSA-N 1 3 303.450 2.337 20 0 DEADHO C[C@H](CNC(=O)[C@H](C)N1CC[C@@H](C[NH3+])[C@H](C)C1)c1ccccc1 ZINC000923498272 637214972 /nfs/dbraw/zinc/21/49/72/637214972.db2.gz HCJTYZBSTSQDHR-CBZIJGRNSA-N 1 3 317.477 2.212 20 0 DEADHO C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923499163 637216313 /nfs/dbraw/zinc/21/63/13/637216313.db2.gz KRZATLNWQZHCIG-UMVBOHGHSA-N 1 3 323.868 2.261 20 0 DEADHO [NH3+]CCCCCCN1C[C@@H](C[C@H]2COCCN2)c2ccccc21 ZINC000923538720 637237662 /nfs/dbraw/zinc/23/76/62/637237662.db2.gz AUAOCYWFKMTGGU-SJORKVTESA-N 1 3 317.477 2.488 20 0 DEADHO CC[C@H](C(=O)N1CCC([C@@H](C)[NH2+]CC2CCC2)CC1)N(C)C ZINC001029111405 637245672 /nfs/dbraw/zinc/24/56/72/637245672.db2.gz HLZPDXKZUCKZPD-RHSMWYFYSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H]([NH2+]CC1CC1)C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001029145668 637276584 /nfs/dbraw/zinc/27/65/84/637276584.db2.gz CMFKCVAUUVTTRS-GJZGRUSLSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N(CC1CC1)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000895666666 638141026 /nfs/dbraw/zinc/14/10/26/638141026.db2.gz QFWAZHAQMZFMDW-HNNXBMFYSA-N 1 3 312.502 2.088 20 0 DEADHO CC(C)N(CC1CC1)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000895666666 638141029 /nfs/dbraw/zinc/14/10/29/638141029.db2.gz QFWAZHAQMZFMDW-HNNXBMFYSA-N 1 3 312.502 2.088 20 0 DEADHO CN(C)c1ccc(N2CCC([NH2+][C@H]3CCC[C@@H]3CN)CC2)cc1 ZINC000841031748 650409715 /nfs/dbraw/zinc/40/97/15/650409715.db2.gz WLNBQMNCBNBAPE-BEFAXECRSA-N 1 3 316.493 2.438 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](C)CC2CC(C)(C)C2)CC1 ZINC000985332484 639286251 /nfs/dbraw/zinc/28/62/51/639286251.db2.gz PWYRGAUZUJLXDC-KRWDZBQOSA-N 1 3 321.509 2.440 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CC2CC(C)(C)C2)CC1 ZINC000985332484 639286252 /nfs/dbraw/zinc/28/62/52/639286252.db2.gz PWYRGAUZUJLXDC-KRWDZBQOSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2C(C)C)[NH+]1CCCC1 ZINC001029598011 639332265 /nfs/dbraw/zinc/33/22/65/639332265.db2.gz UQTXAENVZMXIJF-IXDOHACOSA-N 1 3 307.482 2.190 20 0 DEADHO C[C@H]([NH2+]CCCN1CCOC1=O)[C@@H]1CCCN(C2CCC2)C1 ZINC000754464986 639432609 /nfs/dbraw/zinc/43/26/09/639432609.db2.gz PDMLYTISMVWKRG-LSDHHAIUSA-N 1 3 309.454 2.071 20 0 DEADHO CC[C@H](C(=O)N1CCC([N@H+](C)Cc2ccccc2)CC1)N(C)C ZINC000985491561 639458079 /nfs/dbraw/zinc/45/80/79/639458079.db2.gz FHIOFENVXRURAM-GOSISDBHSA-N 1 3 317.477 2.450 20 0 DEADHO CC[C@H](C(=O)N1CCC([N@@H+](C)Cc2ccccc2)CC1)N(C)C ZINC000985491561 639458081 /nfs/dbraw/zinc/45/80/81/639458081.db2.gz FHIOFENVXRURAM-GOSISDBHSA-N 1 3 317.477 2.450 20 0 DEADHO Cc1cc(CNCC2(O)CC[NH+](C(C)C)CC2)cc(Cl)n1 ZINC000797601927 639535034 /nfs/dbraw/zinc/53/50/34/639535034.db2.gz FBWHGZFNZMSFPV-UHFFFAOYSA-N 1 3 311.857 2.368 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C[N@H+](C)CC2CCC2)C1 ZINC001029842767 639538396 /nfs/dbraw/zinc/53/83/96/639538396.db2.gz WITJPTMYKAZSNH-RDJZCZTQSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CCC2)C1 ZINC001029842767 639538401 /nfs/dbraw/zinc/53/84/01/639538401.db2.gz WITJPTMYKAZSNH-RDJZCZTQSA-N 1 3 307.482 2.051 20 0 DEADHO C[N@H+](CC1CCCC1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675816 639577112 /nfs/dbraw/zinc/57/71/12/639577112.db2.gz WPWPNCRRRDDHGQ-UHFFFAOYSA-N 1 3 304.438 2.065 20 0 DEADHO C[N@@H+](CC1CCCC1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675816 639577114 /nfs/dbraw/zinc/57/71/14/639577114.db2.gz WPWPNCRRRDDHGQ-UHFFFAOYSA-N 1 3 304.438 2.065 20 0 DEADHO C[N@H+](CC1CCCC1)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001030013399 640049895 /nfs/dbraw/zinc/04/98/95/640049895.db2.gz HMYSQQBESPAYNI-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO C[N@@H+](CC1CCCC1)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001030013399 640049899 /nfs/dbraw/zinc/04/98/99/640049899.db2.gz HMYSQQBESPAYNI-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO C[N@H+](CC1CCC1)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001030013752 640050120 /nfs/dbraw/zinc/05/01/20/640050120.db2.gz SCDBPKVUQUARJI-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO C[N@@H+](CC1CCC1)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001030013752 640050124 /nfs/dbraw/zinc/05/01/24/640050124.db2.gz SCDBPKVUQUARJI-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO C[C@@H]1[C@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987064898 640071370 /nfs/dbraw/zinc/07/13/70/640071370.db2.gz GKUBAZWKJPNAJJ-CZUORRHYSA-N 1 3 316.449 2.112 20 0 DEADHO CCCN(C(=O)C[C@H](N)c1cc(C)nc(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000841848036 650578751 /nfs/dbraw/zinc/57/87/51/650578751.db2.gz RLIISZILKSZRPW-KBPBESRZSA-N 1 3 324.856 2.034 20 0 DEADHO C[C@@H]1CN(C(=O)NC2CCC([NH+]3CCCCC3)CC2)[C@H](C)CN1 ZINC000841856315 650581467 /nfs/dbraw/zinc/58/14/67/650581467.db2.gz UTCBMBJHQUWTAJ-NUWOQIAWSA-N 1 3 322.497 2.175 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)N[C@H](C[NH3+])C2CCCC2)cc(Cl)n1 ZINC000841858008 650582522 /nfs/dbraw/zinc/58/25/22/650582522.db2.gz XYDCTKCAVXIFPP-UONOGXRCSA-N 1 3 324.856 2.067 20 0 DEADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCC[S@](C)=O)CC2)C1 ZINC000766053070 640842483 /nfs/dbraw/zinc/84/24/83/640842483.db2.gz DILHZNNUNQAFKO-KKVAFCGZSA-N 1 3 300.512 2.388 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccco1 ZINC000897730130 640923174 /nfs/dbraw/zinc/92/31/74/640923174.db2.gz JTCGSXLHALEMFI-SOUVJXGZSA-N 1 3 307.438 2.167 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccco1 ZINC000897730130 640923179 /nfs/dbraw/zinc/92/31/79/640923179.db2.gz JTCGSXLHALEMFI-SOUVJXGZSA-N 1 3 307.438 2.167 20 0 DEADHO Cn1cc([C@]2(C[NH2+]C3CCN(C(C)(C)C)CC3)CCCO2)cn1 ZINC000898057956 641012414 /nfs/dbraw/zinc/01/24/14/641012414.db2.gz ZCEIRKXMNIBQMY-GOSISDBHSA-N 1 3 320.481 2.278 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC[N@H+](CCC2CC2)CC1 ZINC000989728850 641211242 /nfs/dbraw/zinc/21/12/42/641211242.db2.gz YFQPQJPAGWXIPG-HZPDHXFCSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC[N@@H+](CCC2CC2)CC1 ZINC000989728850 641211246 /nfs/dbraw/zinc/21/12/46/641211246.db2.gz YFQPQJPAGWXIPG-HZPDHXFCSA-N 1 3 307.482 2.194 20 0 DEADHO O[C@H](CN1CCC[C@H](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000730062349 641333135 /nfs/dbraw/zinc/33/31/35/641333135.db2.gz LRTRYSQOHXGIDF-MOPGFXCFSA-N 1 3 302.462 2.398 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900986231 642537988 /nfs/dbraw/zinc/53/79/88/642537988.db2.gz ZPLJQKGOEUEVET-YVSFHVDLSA-N 1 3 305.466 2.089 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000900986231 642537993 /nfs/dbraw/zinc/53/79/93/642537993.db2.gz ZPLJQKGOEUEVET-YVSFHVDLSA-N 1 3 305.466 2.089 20 0 DEADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Cc1c[nH]cn1 ZINC000900989567 642543334 /nfs/dbraw/zinc/54/33/34/642543334.db2.gz RPJORQQNLRAEJF-UHFFFAOYSA-N 1 3 320.359 2.075 20 0 DEADHO C[N@@H+]1CCC[C@H](N2CCN(C[C@H]3CCc4ccccc43)CC2)C1 ZINC000780304451 642610297 /nfs/dbraw/zinc/61/02/97/642610297.db2.gz UFAGSYNIUMUAKT-MOPGFXCFSA-N 1 3 313.489 2.428 20 0 DEADHO C[N@H+]1CCC[C@H](N2CCN(C[C@H]3CCc4ccccc43)CC2)C1 ZINC000780304451 642610299 /nfs/dbraw/zinc/61/02/99/642610299.db2.gz UFAGSYNIUMUAKT-MOPGFXCFSA-N 1 3 313.489 2.428 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000901362125 642638186 /nfs/dbraw/zinc/63/81/86/642638186.db2.gz SGHASCZIEBSLIM-NXHRZFHOSA-N 1 3 317.477 2.353 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000901362125 642638187 /nfs/dbraw/zinc/63/81/87/642638187.db2.gz SGHASCZIEBSLIM-NXHRZFHOSA-N 1 3 317.477 2.353 20 0 DEADHO CC1(C)C[NH2+]CC[C@H](NCCN2CCc3sccc3C2)C1 ZINC000902317935 642989018 /nfs/dbraw/zinc/98/90/18/642989018.db2.gz LXQBXUVZRYZVAQ-HNNXBMFYSA-N 1 3 307.507 2.474 20 0 DEADHO CNC(=O)C[C@@H](C)N[C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902386292 643026049 /nfs/dbraw/zinc/02/60/49/643026049.db2.gz FFLLWIDKJOTDJO-ABAIWWIYSA-N 1 3 313.392 2.249 20 0 DEADHO CO[C@@H]1CCOC[C@H]1N[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000903299297 643309904 /nfs/dbraw/zinc/30/99/04/643309904.db2.gz KWUDLMLIDDEIHY-ZTFGCOKTSA-N 1 3 322.449 2.082 20 0 DEADHO C[N@@H+]1CC[C@H](NC[C@](C)(O)c2cccc(F)c2)[C@@H]2CCC[C@@H]21 ZINC000903308626 643315717 /nfs/dbraw/zinc/31/57/17/643315717.db2.gz KDIQSKWXHBRXTJ-XSLAGTTESA-N 1 3 306.425 2.496 20 0 DEADHO C[N@H+]1CC[C@H](NC[C@](C)(O)c2cccc(F)c2)[C@@H]2CCC[C@@H]21 ZINC000903308626 643315723 /nfs/dbraw/zinc/31/57/23/643315723.db2.gz KDIQSKWXHBRXTJ-XSLAGTTESA-N 1 3 306.425 2.496 20 0 DEADHO COc1nn(C)cc1CNC1CCC(C)([NH+]2CCCC2)CC1 ZINC000903346982 643321464 /nfs/dbraw/zinc/32/14/64/643321464.db2.gz YCQBLUDVILCQAS-UHFFFAOYSA-N 1 3 306.454 2.315 20 0 DEADHO C[C@@H]([NH2+]CCCN1CCCC1)c1ccc(N2CCNC2=O)cc1 ZINC000786781434 643407774 /nfs/dbraw/zinc/40/77/74/643407774.db2.gz CVUZOWFNXAGJNB-OAHLLOKOSA-N 1 3 316.449 2.353 20 0 DEADHO CN(CCOc1ccccc1Cl)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717532 643438129 /nfs/dbraw/zinc/43/81/29/643438129.db2.gz BKVWRDZDKJDDLN-WMLDXEAASA-N 1 3 324.852 2.419 20 0 DEADHO FC(F)(F)[C@H]1CCCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903718630 643438239 /nfs/dbraw/zinc/43/82/39/643438239.db2.gz PVAGJTOCUNKZSU-STQMWFEESA-N 1 3 306.372 2.419 20 0 DEADHO [NH3+]CC1(c2ccccc2)CCN(Cc2cnn(CCF)c2)CC1 ZINC000903790967 643456059 /nfs/dbraw/zinc/45/60/59/643456059.db2.gz KMQGRXWAINRQPR-UHFFFAOYSA-N 1 3 316.424 2.345 20 0 DEADHO C[N@H+](Cc1ccc(OC(F)F)cc1)C1(CN)CCOCC1 ZINC000903807473 643469570 /nfs/dbraw/zinc/46/95/70/643469570.db2.gz DWHMKCPDGSWFJS-UHFFFAOYSA-N 1 3 300.349 2.228 20 0 DEADHO C[N@@H+](Cc1ccc(OC(F)F)cc1)C1(CN)CCOCC1 ZINC000903807473 643469573 /nfs/dbraw/zinc/46/95/73/643469573.db2.gz DWHMKCPDGSWFJS-UHFFFAOYSA-N 1 3 300.349 2.228 20 0 DEADHO Cc1c(C[C@H](C[NH3+])CN[C@H]2CCc3c2cccc3F)cnn1C ZINC000903927572 643510725 /nfs/dbraw/zinc/51/07/25/643510725.db2.gz ZROOCFYMTMIYMC-ACJLOTCBSA-N 1 3 316.424 2.262 20 0 DEADHO Cc1c(C[C@@H](CN)C[N@@H+]2CCC[C@@H](C3CCC3)C2)cnn1C ZINC000903933008 643514331 /nfs/dbraw/zinc/51/43/31/643514331.db2.gz JPMZVOZVEWMXFM-DOTOQJQBSA-N 1 3 304.482 2.358 20 0 DEADHO Cc1c(C[C@@H](CN)C[N@H+]2CCC[C@@H](C3CCC3)C2)cnn1C ZINC000903933008 643514333 /nfs/dbraw/zinc/51/43/33/643514333.db2.gz JPMZVOZVEWMXFM-DOTOQJQBSA-N 1 3 304.482 2.358 20 0 DEADHO COC(=O)[C@](C)(CNC[C@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000904368174 643647028 /nfs/dbraw/zinc/64/70/28/643647028.db2.gz IXAUBSHPNFXVHT-QZTJIDSGSA-N 1 3 304.434 2.097 20 0 DEADHO CCOc1ccccc1CN1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000904389649 643651862 /nfs/dbraw/zinc/65/18/62/643651862.db2.gz PVLXSYCGROXQKU-INIZCTEOSA-N 1 3 304.434 2.415 20 0 DEADHO COc1cccc(CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1F ZINC000904393298 643653262 /nfs/dbraw/zinc/65/32/62/643653262.db2.gz PTDNNCPNFGNZEJ-CQSZACIVSA-N 1 3 308.397 2.164 20 0 DEADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)CC2(O)CCCCC2)CC1 ZINC000905054183 643772940 /nfs/dbraw/zinc/77/29/40/643772940.db2.gz FSBXQRHXNJZNPH-MRXNPFEDSA-N 1 3 312.498 2.285 20 0 DEADHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](O)CC2(CO)CCCC2)C1 ZINC000905070350 643787305 /nfs/dbraw/zinc/78/73/05/643787305.db2.gz KCMZJWMNQJQHCU-IAGOWNOFSA-N 1 3 312.498 2.000 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@H](O)CC2(CO)CCCC2)C1 ZINC000905070350 643787309 /nfs/dbraw/zinc/78/73/09/643787309.db2.gz KCMZJWMNQJQHCU-IAGOWNOFSA-N 1 3 312.498 2.000 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC[C@H](O)CC2(CO)CCCC2)C1 ZINC000905070350 643787311 /nfs/dbraw/zinc/78/73/11/643787311.db2.gz KCMZJWMNQJQHCU-IAGOWNOFSA-N 1 3 312.498 2.000 20 0 DEADHO CCCCCCNC(=O)[C@@H]1CCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000843060778 650880906 /nfs/dbraw/zinc/88/09/06/650880906.db2.gz PVLMRLVHGKLYDA-SJLPKXTDSA-N 1 3 309.498 2.395 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC[C@H](O)CCC2(O)CCC2)C1 ZINC000905913251 644083130 /nfs/dbraw/zinc/08/31/30/644083130.db2.gz OGAPSJZOXVZKIK-IXDOHACOSA-N 1 3 312.498 2.000 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC[C@H](O)CCC2(O)CCC2)C1 ZINC000905913251 644083135 /nfs/dbraw/zinc/08/31/35/644083135.db2.gz OGAPSJZOXVZKIK-IXDOHACOSA-N 1 3 312.498 2.000 20 0 DEADHO CCc1nn(C)c(Cl)c1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125010 650901152 /nfs/dbraw/zinc/90/11/52/650901152.db2.gz LALXGUQLBJOHSG-STQMWFEESA-N 1 3 310.873 2.457 20 0 DEADHO C[C@H](O)c1ncc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000843126055 650901407 /nfs/dbraw/zinc/90/14/07/650901407.db2.gz FOHQAKTUHSIVPK-BFHYXJOUSA-N 1 3 309.479 2.408 20 0 DEADHO COc1ccc2c(c1)[nH+]ccc2N1CCN(C[C@@H](C)O)C[C@@H]1C ZINC000795141331 644527449 /nfs/dbraw/zinc/52/74/49/644527449.db2.gz SHJMABFKMHRPJU-UONOGXRCSA-N 1 3 315.417 2.135 20 0 DEADHO COc1ccc2c(c1)nccc2N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000795141331 644527451 /nfs/dbraw/zinc/52/74/51/644527451.db2.gz SHJMABFKMHRPJU-UONOGXRCSA-N 1 3 315.417 2.135 20 0 DEADHO COc1ccc2c(c1)nccc2N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000795141331 644527454 /nfs/dbraw/zinc/52/74/54/644527454.db2.gz SHJMABFKMHRPJU-UONOGXRCSA-N 1 3 315.417 2.135 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000907762672 644635578 /nfs/dbraw/zinc/63/55/78/644635578.db2.gz MJLASZMXGGRDMJ-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000907762672 644635584 /nfs/dbraw/zinc/63/55/84/644635584.db2.gz MJLASZMXGGRDMJ-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1ccc(N2CC[C@H](N3CCC[C@H](CC[NH3+])C3)C2=O)cc1 ZINC000843378443 650962015 /nfs/dbraw/zinc/96/20/15/650962015.db2.gz XBIDRGVMXJMTSJ-WBVHZDCISA-N 1 3 301.434 2.161 20 0 DEADHO CCN1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC000910281526 645386797 /nfs/dbraw/zinc/38/67/97/645386797.db2.gz OIHMQCSCEHZRSB-WBVHZDCISA-N 1 3 307.482 2.336 20 0 DEADHO CCN1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC000910281526 645386800 /nfs/dbraw/zinc/38/68/00/645386800.db2.gz OIHMQCSCEHZRSB-WBVHZDCISA-N 1 3 307.482 2.336 20 0 DEADHO CC(C)(C)OC(=O)N1CCC[C@H](CCN2C[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000801913245 645460585 /nfs/dbraw/zinc/46/05/85/645460585.db2.gz RUZUQJFUHNSKTB-PMPSAXMXSA-N 1 3 323.481 2.175 20 0 DEADHO CN1CCN(CC[NH2+][C@@H]2CCc3nc(Cl)ccc32)CC1(C)C ZINC000806163531 645804661 /nfs/dbraw/zinc/80/46/61/645804661.db2.gz GPUXZUZONPWOFO-CQSZACIVSA-N 1 3 322.884 2.338 20 0 DEADHO C[C@H](C(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1)N1CCCCCC1 ZINC000913290557 646317873 /nfs/dbraw/zinc/31/78/73/646317873.db2.gz YSUCRXZCKRLTEE-NXHRZFHOSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H](C(=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1)N1CCCCCC1 ZINC000913290557 646317875 /nfs/dbraw/zinc/31/78/75/646317875.db2.gz YSUCRXZCKRLTEE-NXHRZFHOSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)CN(CC[NH+](C)C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810612059 646385872 /nfs/dbraw/zinc/38/58/72/646385872.db2.gz NNAUVTXOBIKXRL-QGZVFWFLSA-N 1 3 315.477 2.245 20 0 DEADHO C[NH+](C)C[C@H]1CCN(C[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000172805625 646752227 /nfs/dbraw/zinc/75/22/27/646752227.db2.gz HPHNRCAOZJJRRU-HUUCEWRRSA-N 1 3 311.470 2.127 20 0 DEADHO CC(C)[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]21 ZINC000992714742 647194231 /nfs/dbraw/zinc/19/42/31/647194231.db2.gz RDLGWYWMNMNZFH-BHYGNILZSA-N 1 3 307.482 2.096 20 0 DEADHO CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]21 ZINC000992819117 647278082 /nfs/dbraw/zinc/27/80/82/647278082.db2.gz RFBFITUAGGKKHP-YESZJQIVSA-N 1 3 321.509 2.345 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000817890422 647371881 /nfs/dbraw/zinc/37/18/81/647371881.db2.gz SZRYLSUKYJCUAZ-PIGZYNQJSA-N 1 3 303.381 2.372 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])N[C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000817931674 647385751 /nfs/dbraw/zinc/38/57/51/647385751.db2.gz NMXFRZCVAKALOI-BFHYXJOUSA-N 1 3 304.438 2.383 20 0 DEADHO C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]CCCN ZINC000817938614 647388124 /nfs/dbraw/zinc/38/81/24/647388124.db2.gz OLEBGUHARLVNFV-CQSZACIVSA-N 1 3 317.433 2.170 20 0 DEADHO CCCC[C@H](CN)[NH2+][C@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000817961771 647394759 /nfs/dbraw/zinc/39/47/59/647394759.db2.gz BXZAOLXZMGLSBJ-BHIYHBOVSA-N 1 3 319.493 2.383 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CCN1C ZINC000915225299 647498155 /nfs/dbraw/zinc/49/81/55/647498155.db2.gz IYGHGINAGJGHLY-RHSMWYFYSA-N 1 3 322.497 2.033 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](NC(=O)C23CCCN2CCC3)[C@@H]1C ZINC000993526859 647690268 /nfs/dbraw/zinc/69/02/68/647690268.db2.gz IBSOUFOZQUYDEI-HOTGVXAUSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](NC(=O)C23CCCN2CCC3)[C@@H]1C ZINC000993526859 647690270 /nfs/dbraw/zinc/69/02/70/647690270.db2.gz IBSOUFOZQUYDEI-HOTGVXAUSA-N 1 3 307.482 2.240 20 0 DEADHO O[C@@H](CN1CCC[C@@H]1Cc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000917640997 648019248 /nfs/dbraw/zinc/01/92/48/648019248.db2.gz UYHIJKUKBSCVAJ-QZTJIDSGSA-N 1 3 306.425 2.289 20 0 DEADHO [NH3+]CCCCCC(=O)NCCCN1CCc2ccccc2C1 ZINC000237959272 648453116 /nfs/dbraw/zinc/45/31/16/648453116.db2.gz XRFXIPPMTXZMSN-UHFFFAOYSA-N 1 3 303.450 2.070 20 0 DEADHO CN(C(=O)[C@H]1CCCN1C)[C@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000948246599 648847113 /nfs/dbraw/zinc/84/71/13/648847113.db2.gz YTFSNAFVDITSIW-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO CN(C(=O)[C@H]1CCCN1C)[C@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000948246599 648847114 /nfs/dbraw/zinc/84/71/14/648847114.db2.gz YTFSNAFVDITSIW-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C(C)C)CC1(C)C ZINC000940785014 648940612 /nfs/dbraw/zinc/94/06/12/648940612.db2.gz FSPBQIXVAJCDCB-JKSUJKDBSA-N 1 3 309.498 2.486 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C(C)C)CC1(C)C ZINC000940785014 648940614 /nfs/dbraw/zinc/94/06/14/648940614.db2.gz FSPBQIXVAJCDCB-JKSUJKDBSA-N 1 3 309.498 2.486 20 0 DEADHO O=C(c1ccc(C[NH+]2CCCCC2)o1)N1CC[C@@H](N2CCC2)C1 ZINC000826948613 648951222 /nfs/dbraw/zinc/95/12/22/648951222.db2.gz AKVWENQWCMXZFW-OAHLLOKOSA-N 1 3 317.433 2.186 20 0 DEADHO O=C(c1ccc(C[NH+]2CCCCC2)o1)N1CC[C@H](N2CCC2)C1 ZINC000826948611 648951249 /nfs/dbraw/zinc/95/12/49/648951249.db2.gz AKVWENQWCMXZFW-HNNXBMFYSA-N 1 3 317.433 2.186 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000830209436 649410445 /nfs/dbraw/zinc/41/04/45/649410445.db2.gz KNLJOLPJEWRDOM-IRXDYDNUSA-N 1 3 318.465 2.063 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CCC(C)C)C[C@@H]1C ZINC000944443118 649526729 /nfs/dbraw/zinc/52/67/29/649526729.db2.gz GQHOIENUOACYEO-ZFWWWQNUSA-N 1 3 306.454 2.133 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CCC(C)C)C[C@@H]1C ZINC000944443118 649526731 /nfs/dbraw/zinc/52/67/31/649526731.db2.gz GQHOIENUOACYEO-ZFWWWQNUSA-N 1 3 306.454 2.133 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CCC2CC2)C1)N(CC)CC ZINC001389395345 1155329590 /nfs/dbraw/zinc/32/95/90/1155329590.db2.gz UWXHADZRVZUBBC-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)C1)N(CC)CC ZINC001389395345 1155329593 /nfs/dbraw/zinc/32/95/93/1155329593.db2.gz UWXHADZRVZUBBC-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO COCC[NH+]1CCC(OC(=O)c2cccc(CN(C)C)c2)CC1 ZINC000847885661 651425990 /nfs/dbraw/zinc/42/59/90/651425990.db2.gz HYTMVSMARLMALW-UHFFFAOYSA-N 1 3 320.433 2.016 20 0 DEADHO CN(CCN1CCCCC1)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000848245947 651446787 /nfs/dbraw/zinc/44/67/87/651446787.db2.gz ILURSBKQUIIIDU-UHFFFAOYSA-N 1 3 317.477 2.349 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@]1(C)c1ccccc1 ZINC000849010489 651581581 /nfs/dbraw/zinc/58/15/81/651581581.db2.gz SOEQVAPIUQVVQG-JFIYKMOQSA-N 1 3 300.450 2.315 20 0 DEADHO CCC(CC)[C@H](CCNC(=[NH2+])NC[C@@H]1CCCN1CC)OC ZINC000849014232 651583190 /nfs/dbraw/zinc/58/31/90/651583190.db2.gz QLDJKCOOCNXAEB-HOTGVXAUSA-N 1 3 312.502 2.426 20 0 DEADHO C/C(=C\c1ccco1)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000855344965 651678945 /nfs/dbraw/zinc/67/89/45/651678945.db2.gz JZSFXHBVXXVNFA-ZQHYZAEZSA-N 1 3 307.438 2.071 20 0 DEADHO C/C(=C\c1ccco1)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000855344965 651678949 /nfs/dbraw/zinc/67/89/49/651678949.db2.gz JZSFXHBVXXVNFA-ZQHYZAEZSA-N 1 3 307.438 2.071 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@H]1CCC(F)(F)C1 ZINC000855346722 651679845 /nfs/dbraw/zinc/67/98/45/651679845.db2.gz KCNBYGUZWZKBHY-UONOGXRCSA-N 1 3 319.440 2.200 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@H]1CCC(F)(F)C1 ZINC000855346722 651679848 /nfs/dbraw/zinc/67/98/48/651679848.db2.gz KCNBYGUZWZKBHY-UONOGXRCSA-N 1 3 319.440 2.200 20 0 DEADHO [NH3+]CCc1ccc(CNC(=O)C[C@@H]2NCc3ccccc32)cc1 ZINC000851632693 652193516 /nfs/dbraw/zinc/19/35/16/652193516.db2.gz RHEUILJQNVTDGK-SFHVURJKSA-N 1 3 309.413 2.039 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CC(C)C1 ZINC001390163081 1155552849 /nfs/dbraw/zinc/55/28/49/1155552849.db2.gz WOEACYUCIOILHA-OFLPRAFFSA-N 1 3 309.498 2.343 20 0 DEADHO CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]CC23CC(C2)CN3)C1 ZINC000853246678 652529215 /nfs/dbraw/zinc/52/92/15/652529215.db2.gz PLBCDMGQLNJKEH-SBEAFCBVSA-N 1 3 316.392 2.085 20 0 DEADHO CCOC(=O)C(F)(F)[C@H]1CCC[C@@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000853246678 652529218 /nfs/dbraw/zinc/52/92/18/652529218.db2.gz PLBCDMGQLNJKEH-SBEAFCBVSA-N 1 3 316.392 2.085 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(N2CCCNC2=O)cc1 ZINC000854231015 652662759 /nfs/dbraw/zinc/66/27/59/652662759.db2.gz HBOGONWPHBTXAD-PBHICJAKSA-N 1 3 316.449 2.084 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCCF)C1 ZINC001391364045 1156360186 /nfs/dbraw/zinc/36/01/86/1156360186.db2.gz XYFZRTDECQLEGX-HOTGVXAUSA-N 1 3 313.461 2.001 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCCF)C1 ZINC001391364045 1156360191 /nfs/dbraw/zinc/36/01/91/1156360191.db2.gz XYFZRTDECQLEGX-HOTGVXAUSA-N 1 3 313.461 2.001 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@@H+](CCC)C1 ZINC001393210470 1157765991 /nfs/dbraw/zinc/76/59/91/1157765991.db2.gz XHZFHOAMGZSXQE-WMZOPIPTSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000389800128 685435314 /nfs/dbraw/zinc/43/53/14/685435314.db2.gz WXCHEEMUFVFCHS-OCTMDKCWSA-N 1 3 311.473 2.093 20 0 DEADHO [NH3+]CCCCCC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000132821998 684213285 /nfs/dbraw/zinc/21/32/85/684213285.db2.gz NIRYTHATFLPLTG-QGZVFWFLSA-N 1 3 303.450 2.286 20 0 DEADHO CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145636 693861698 /nfs/dbraw/zinc/86/16/98/693861698.db2.gz URHSAPMCWZDINQ-SFHVURJKSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145636 693861702 /nfs/dbraw/zinc/86/17/02/693861702.db2.gz URHSAPMCWZDINQ-SFHVURJKSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001054145595 693862360 /nfs/dbraw/zinc/86/23/60/693862360.db2.gz SUURDPAQIJYATM-AEFFLSMTSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001054145595 693862363 /nfs/dbraw/zinc/86/23/63/693862363.db2.gz SUURDPAQIJYATM-AEFFLSMTSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@H](C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205452 693882887 /nfs/dbraw/zinc/88/28/87/693882887.db2.gz RQCVNHSZIIJWGC-YJBOKZPZSA-N 1 3 318.465 2.313 20 0 DEADHO CC[C@H](C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205452 693882889 /nfs/dbraw/zinc/88/28/89/693882889.db2.gz RQCVNHSZIIJWGC-YJBOKZPZSA-N 1 3 318.465 2.313 20 0 DEADHO CN(CCOC[C@H]1CCCO1)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214301 685682621 /nfs/dbraw/zinc/68/26/21/685682621.db2.gz ITBLHLFGKHSMCH-GOSISDBHSA-N 1 3 306.450 2.376 20 0 DEADHO CN(C(=O)Nc1cccc(C[NH+](C)C)c1)[C@H]1CCCN(C)C1 ZINC000929562898 693980397 /nfs/dbraw/zinc/98/03/97/693980397.db2.gz IRBSRRCSVJSRIB-INIZCTEOSA-N 1 3 304.438 2.306 20 0 DEADHO C[N@@H+]1CCCC[C@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000862794043 686378200 /nfs/dbraw/zinc/37/82/00/686378200.db2.gz VLXHKKUBGXTRBW-PBHICJAKSA-N 1 3 313.461 2.047 20 0 DEADHO C[N@H+]1CCCC[C@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000862794043 686378205 /nfs/dbraw/zinc/37/82/05/686378205.db2.gz VLXHKKUBGXTRBW-PBHICJAKSA-N 1 3 313.461 2.047 20 0 DEADHO CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+][C@@H]2CCN[C@H]2C)C1 ZINC000863488393 686508637 /nfs/dbraw/zinc/50/86/37/686508637.db2.gz PIMZAAHYZGCYRD-ZDEQEGDKSA-N 1 3 304.381 2.084 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC1CCCCC1 ZINC001054736667 694035157 /nfs/dbraw/zinc/03/51/57/694035157.db2.gz LDAFYTJPEAQTRZ-MAUKXSAKSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC001054739074 694036206 /nfs/dbraw/zinc/03/62/06/694036206.db2.gz RUWFDCFTCGTYIM-YOEHRIQHSA-N 1 3 321.509 2.343 20 0 DEADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC001054740015 694036243 /nfs/dbraw/zinc/03/62/43/694036243.db2.gz UTFZMGPAKICQQB-HOCLYGCPSA-N 1 3 321.509 2.343 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]Cc1ccccc1 ZINC001054740216 694036529 /nfs/dbraw/zinc/03/65/29/694036529.db2.gz VKJMSGWZCGJSNC-YJBOKZPZSA-N 1 3 315.461 2.107 20 0 DEADHO COC(=O)[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000929842884 694041013 /nfs/dbraw/zinc/04/10/13/694041013.db2.gz FFTYETLMKPMYRT-QBPKDAKJSA-N 1 3 308.466 2.382 20 0 DEADHO COC(=O)[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000929842884 694041018 /nfs/dbraw/zinc/04/10/18/694041018.db2.gz FFTYETLMKPMYRT-QBPKDAKJSA-N 1 3 308.466 2.382 20 0 DEADHO C[C@H](F)CC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001016333133 687594467 /nfs/dbraw/zinc/59/44/67/687594467.db2.gz TZTHTTTVDOPYJR-YOEHRIQHSA-N 1 3 321.440 2.300 20 0 DEADHO C[C@H](F)CC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001016333133 687594475 /nfs/dbraw/zinc/59/44/75/687594475.db2.gz TZTHTTTVDOPYJR-YOEHRIQHSA-N 1 3 321.440 2.300 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC2(C[C@H]2NC(=O)Cc2nc[nH]c2C)CC1 ZINC001016950792 687741279 /nfs/dbraw/zinc/74/12/79/687741279.db2.gz OMTJYPOSHYLIAP-CZUORRHYSA-N 1 3 318.465 2.277 20 0 DEADHO CCCC[NH+]1CCC2(C[C@@H]2NC(=O)Cc2nc[nH]c2C)CC1 ZINC001016949383 687741694 /nfs/dbraw/zinc/74/16/94/687741694.db2.gz DHIXYTRDKHMPJJ-HNNXBMFYSA-N 1 3 304.438 2.031 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)CC2CC2)C1)N(C)C ZINC001017147285 687804182 /nfs/dbraw/zinc/80/41/82/687804182.db2.gz VNEIQCRKMMDVEH-SJORKVTESA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC2CC2)C1)N(C)C ZINC001017147285 687804189 /nfs/dbraw/zinc/80/41/89/687804189.db2.gz VNEIQCRKMMDVEH-SJORKVTESA-N 1 3 309.498 2.153 20 0 DEADHO CC1CC(C[N@H+](C)C[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001017221918 687830521 /nfs/dbraw/zinc/83/05/21/687830521.db2.gz IZUJKYKLTGUSBV-PCKAHOCUSA-N 1 3 318.465 2.169 20 0 DEADHO CC1CC(C[N@@H+](C)C[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001017221918 687830525 /nfs/dbraw/zinc/83/05/25/687830525.db2.gz IZUJKYKLTGUSBV-PCKAHOCUSA-N 1 3 318.465 2.169 20 0 DEADHO CN1CCC[C@@H](NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC000868363057 687991449 /nfs/dbraw/zinc/99/14/49/687991449.db2.gz ITCQWTHEYYSOPT-NVXWUHKLSA-N 1 3 322.497 2.177 20 0 DEADHO CN1CCC[C@@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC000868363057 687991454 /nfs/dbraw/zinc/99/14/54/687991454.db2.gz ITCQWTHEYYSOPT-NVXWUHKLSA-N 1 3 322.497 2.177 20 0 DEADHO CC[C@@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCC[C@@H]1C ZINC001017941954 688006819 /nfs/dbraw/zinc/00/68/19/688006819.db2.gz JSWWNKJXRNDYLQ-TWMKSMIVSA-N 1 3 307.482 2.192 20 0 DEADHO CC[C@@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCC[C@@H]1C ZINC001017941954 688006822 /nfs/dbraw/zinc/00/68/22/688006822.db2.gz JSWWNKJXRNDYLQ-TWMKSMIVSA-N 1 3 307.482 2.192 20 0 DEADHO C[C@@H](NC(=O)NC1CCC(C)([NH+](C)C)CC1)C1=CCN(C)CC1 ZINC000868488579 688032576 /nfs/dbraw/zinc/03/25/76/688032576.db2.gz FSDWNEWADTXUDP-MXWWQKGMSA-N 1 3 322.497 2.199 20 0 DEADHO CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001018176723 688071734 /nfs/dbraw/zinc/07/17/34/688071734.db2.gz OGLKNRSXZJAOSJ-XLAORIBOSA-N 1 3 321.509 2.438 20 0 DEADHO CN(CC(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C1)C1CCC1 ZINC001018971600 688264270 /nfs/dbraw/zinc/26/42/70/688264270.db2.gz JXKYXDLSWJDWAX-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CCc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](CC)N(C)C)C2)cc1 ZINC001019033374 688274607 /nfs/dbraw/zinc/27/46/07/688274607.db2.gz LNWRMADEXDAXSD-ZWKOTPCHSA-N 1 3 317.477 2.280 20 0 DEADHO COc1ccc2c(c1)C[C@H](C[N@@H+]1CC[C@]3(CCN(C)C3)C1)O2 ZINC000930557677 694189433 /nfs/dbraw/zinc/18/94/33/694189433.db2.gz IUNLDPYCZRZHCK-AEFFLSMTSA-N 1 3 302.418 2.026 20 0 DEADHO COc1ccc2c(c1)C[C@H](C[N@H+]1CC[C@]3(CCN(C)C3)C1)O2 ZINC000930557677 694189436 /nfs/dbraw/zinc/18/94/36/694189436.db2.gz IUNLDPYCZRZHCK-AEFFLSMTSA-N 1 3 302.418 2.026 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001019382886 688343151 /nfs/dbraw/zinc/34/31/51/688343151.db2.gz NZISBNQBAXNNJM-WMZOPIPTSA-N 1 3 319.493 2.409 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCC2)C1 ZINC001019468178 688362895 /nfs/dbraw/zinc/36/28/95/688362895.db2.gz JPNNYZKYGLGFQM-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001028845925 688544925 /nfs/dbraw/zinc/54/49/25/688544925.db2.gz UDLUQBIUKFOLLK-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001028845925 688544927 /nfs/dbraw/zinc/54/49/27/688544927.db2.gz UDLUQBIUKFOLLK-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CCC2)C1)N(C)C ZINC001029761730 688573743 /nfs/dbraw/zinc/57/37/43/688573743.db2.gz ZLGPBJJYOAZOLW-SJORKVTESA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CCC2)C1)N(C)C ZINC001029761730 688573745 /nfs/dbraw/zinc/57/37/45/688573745.db2.gz ZLGPBJJYOAZOLW-SJORKVTESA-N 1 3 309.498 2.153 20 0 DEADHO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000870863064 688670250 /nfs/dbraw/zinc/67/02/50/688670250.db2.gz MYILYJJEGSQYOK-DODZYUBVSA-N 1 3 313.445 2.067 20 0 DEADHO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C[C@@H](N)c2ccccc2)C1 ZINC000870992142 688706126 /nfs/dbraw/zinc/70/61/26/688706126.db2.gz IXHFEWHWANLACO-CRAIPNDOSA-N 1 3 303.450 2.300 20 0 DEADHO CC[NH+]1CCC(N[C@@H](C)[C@H](O)c2cc(OC)ccc2OC)CC1 ZINC000872136162 688934093 /nfs/dbraw/zinc/93/40/93/688934093.db2.gz JWVAVVAPANEYES-UGSOOPFHSA-N 1 3 322.449 2.200 20 0 DEADHO CN(C(=O)CN1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1)C1CC1 ZINC000872156897 688940638 /nfs/dbraw/zinc/94/06/38/688940638.db2.gz MGKBHAHKOMXTLN-YOEHRIQHSA-N 1 3 307.482 2.227 20 0 DEADHO CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001032445409 689153793 /nfs/dbraw/zinc/15/37/93/689153793.db2.gz FIHVVLMECOKGFE-ULQDDVLXSA-N 1 3 307.482 2.335 20 0 DEADHO CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001032445409 689153797 /nfs/dbraw/zinc/15/37/97/689153797.db2.gz FIHVVLMECOKGFE-ULQDDVLXSA-N 1 3 307.482 2.335 20 0 DEADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2C[C@H](O)C2)CC1 ZINC000873177471 689177115 /nfs/dbraw/zinc/17/71/15/689177115.db2.gz NZOASCXBDZCHEZ-SAABIXHNSA-N 1 3 317.477 2.079 20 0 DEADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001032538214 689179657 /nfs/dbraw/zinc/17/96/57/689179657.db2.gz NMGMAJPMQSIXFV-BZSNNMDCSA-N 1 3 319.493 2.192 20 0 DEADHO CC1(C)CC[C@H](CNC2CCN(C(=O)c3ccoc3)CC2)[NH2+]C1 ZINC000873234996 689190640 /nfs/dbraw/zinc/19/06/40/689190640.db2.gz JRHWZEBWCGNJDO-MRXNPFEDSA-N 1 3 319.449 2.252 20 0 DEADHO Cc1ccc(CN2CCO[C@H](CN[C@H]3CCC[C@H]([NH3+])C3)C2)cc1 ZINC000873266990 689197887 /nfs/dbraw/zinc/19/78/87/689197887.db2.gz VGSAATKATJAFLP-GBESFXJTSA-N 1 3 317.477 2.055 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCC1)N(C)C ZINC001032609608 689200479 /nfs/dbraw/zinc/20/04/79/689200479.db2.gz BBTYGQWFGKOZMP-YESZJQIVSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCC1)N(C)C ZINC001032609608 689200480 /nfs/dbraw/zinc/20/04/80/689200480.db2.gz BBTYGQWFGKOZMP-YESZJQIVSA-N 1 3 307.482 2.048 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC2CCCC2)C1 ZINC001032627811 689206436 /nfs/dbraw/zinc/20/64/36/689206436.db2.gz IVQHNNDDVRYEIQ-NJAFHUGGSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC2CCCC2)C1 ZINC001032627811 689206438 /nfs/dbraw/zinc/20/64/38/689206438.db2.gz IVQHNNDDVRYEIQ-NJAFHUGGSA-N 1 3 319.493 2.194 20 0 DEADHO CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001033296726 689451891 /nfs/dbraw/zinc/45/18/91/689451891.db2.gz YEYQVNCTVJDIKD-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001033296726 689451892 /nfs/dbraw/zinc/45/18/92/689451892.db2.gz YEYQVNCTVJDIKD-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO CN(C(=O)C(C)(C)N1CCCC1)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001033317591 689459702 /nfs/dbraw/zinc/45/97/02/689459702.db2.gz BWJCLGDVOKFAKZ-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C(=O)C(C)(C)N1CCCC1)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033317591 689459704 /nfs/dbraw/zinc/45/97/04/689459704.db2.gz BWJCLGDVOKFAKZ-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO CC1CC(C[N@@H+]2CC[C@H](N(C)C(=O)C(C)(C)N3CCCC3)C2)C1 ZINC001033320378 689460236 /nfs/dbraw/zinc/46/02/36/689460236.db2.gz VOFSJBIKXIJULI-JCYILVPMSA-N 1 3 321.509 2.440 20 0 DEADHO CC1CC(C[N@H+]2CC[C@H](N(C)C(=O)C(C)(C)N3CCCC3)C2)C1 ZINC001033320378 689460238 /nfs/dbraw/zinc/46/02/38/689460238.db2.gz VOFSJBIKXIJULI-JCYILVPMSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033591591 689554149 /nfs/dbraw/zinc/55/41/49/689554149.db2.gz VLGPYZDXJRYENM-HNNXBMFYSA-N 1 3 318.465 2.410 20 0 DEADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033591591 689554153 /nfs/dbraw/zinc/55/41/53/689554153.db2.gz VLGPYZDXJRYENM-HNNXBMFYSA-N 1 3 318.465 2.410 20 0 DEADHO CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033681423 689581958 /nfs/dbraw/zinc/58/19/58/689581958.db2.gz SQZUBKAFDLAHEQ-MRXNPFEDSA-N 1 3 303.450 2.305 20 0 DEADHO CCC[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033681423 689581962 /nfs/dbraw/zinc/58/19/62/689581962.db2.gz SQZUBKAFDLAHEQ-MRXNPFEDSA-N 1 3 303.450 2.305 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CC2)C1 ZINC001034204312 689761968 /nfs/dbraw/zinc/76/19/68/689761968.db2.gz LSRLTGPAVSOAJX-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CC2)C1 ZINC001034204312 689761970 /nfs/dbraw/zinc/76/19/70/689761970.db2.gz LSRLTGPAVSOAJX-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CC2)C1 ZINC001034239370 689777115 /nfs/dbraw/zinc/77/71/15/689777115.db2.gz JTBAIOAGZRRQNY-IAGOWNOFSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CC2)C1 ZINC001034239370 689777116 /nfs/dbraw/zinc/77/71/16/689777116.db2.gz JTBAIOAGZRRQNY-IAGOWNOFSA-N 1 3 307.482 2.242 20 0 DEADHO CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)C1 ZINC001034289285 689796831 /nfs/dbraw/zinc/79/68/31/689796831.db2.gz SJMKJUKXYYTZOZ-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)C1 ZINC001034289285 689796836 /nfs/dbraw/zinc/79/68/36/689796836.db2.gz SJMKJUKXYYTZOZ-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001034329239 689811916 /nfs/dbraw/zinc/81/19/16/689811916.db2.gz GGMIWDVAWJQHGD-DLBZAZTESA-N 1 3 307.482 2.242 20 0 DEADHO CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001034329239 689811919 /nfs/dbraw/zinc/81/19/19/689811919.db2.gz GGMIWDVAWJQHGD-DLBZAZTESA-N 1 3 307.482 2.242 20 0 DEADHO CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034396446 689834833 /nfs/dbraw/zinc/83/48/33/689834833.db2.gz GIBUDERIUANPQW-RHSMWYFYSA-N 1 3 313.461 2.190 20 0 DEADHO CC[N@H+]1CCCC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034396446 689834837 /nfs/dbraw/zinc/83/48/37/689834837.db2.gz GIBUDERIUANPQW-RHSMWYFYSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000876737217 689922452 /nfs/dbraw/zinc/92/24/52/689922452.db2.gz PUZDNJFDQBLCIG-XBVQOTNRSA-N 1 3 315.461 2.312 20 0 DEADHO Nc1c(Cl)cccc1C[NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000877091081 690016323 /nfs/dbraw/zinc/01/63/23/690016323.db2.gz ZPRWKCYAZQBNPE-CVEARBPZSA-N 1 3 323.868 2.390 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001035051894 690021975 /nfs/dbraw/zinc/02/19/75/690021975.db2.gz UHVKVMGEKCGSQG-FUHWJXTLSA-N 1 3 315.461 2.252 20 0 DEADHO CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)N(C)C)CC2 ZINC001035193710 690056417 /nfs/dbraw/zinc/05/64/17/690056417.db2.gz NHXAPRQRYSTITP-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)N(C)C)CC2 ZINC001035193710 690056420 /nfs/dbraw/zinc/05/64/20/690056420.db2.gz NHXAPRQRYSTITP-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000877346001 690083538 /nfs/dbraw/zinc/08/35/38/690083538.db2.gz FOXXPAONAIWASL-KZNAEPCWSA-N 1 3 315.461 2.115 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000877452894 690117479 /nfs/dbraw/zinc/11/74/79/690117479.db2.gz SVHRMWAZRJWTQL-WBVHZDCISA-N 1 3 309.498 2.474 20 0 DEADHO CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@H](C1CC1)N(C)C)CC2 ZINC001035721163 690161049 /nfs/dbraw/zinc/16/10/49/690161049.db2.gz RLPMWQKQSGBCKP-RDJZCZTQSA-N 1 3 321.509 2.297 20 0 DEADHO C[N@@H+]1CC[C@H]2CN(CCC3CN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000877742987 690212618 /nfs/dbraw/zinc/21/26/18/690212618.db2.gz SNYOQVXRTXQDAJ-JKSUJKDBSA-N 1 3 323.481 2.269 20 0 DEADHO C[N@H+]1CC[C@H]2CN(CCC3CN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000877742987 690212621 /nfs/dbraw/zinc/21/26/21/690212621.db2.gz SNYOQVXRTXQDAJ-JKSUJKDBSA-N 1 3 323.481 2.269 20 0 DEADHO CN1CC[C@H]2C[N@H+](CCC3CN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000877742987 690212624 /nfs/dbraw/zinc/21/26/24/690212624.db2.gz SNYOQVXRTXQDAJ-JKSUJKDBSA-N 1 3 323.481 2.269 20 0 DEADHO CN1CC[C@H]2C[N@@H+](CCC3CN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000877742987 690212625 /nfs/dbraw/zinc/21/26/25/690212625.db2.gz SNYOQVXRTXQDAJ-JKSUJKDBSA-N 1 3 323.481 2.269 20 0 DEADHO CN1CCCC[C@H]1CC[N@H+](C)C[C@@H](O)CC1(CO)CCCC1 ZINC000878136418 690322003 /nfs/dbraw/zinc/32/20/03/690322003.db2.gz YCXVBHAHWYFKQQ-IRXDYDNUSA-N 1 3 312.498 2.096 20 0 DEADHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@@H](O)CC1(CO)CCCC1 ZINC000878136418 690322006 /nfs/dbraw/zinc/32/20/06/690322006.db2.gz YCXVBHAHWYFKQQ-IRXDYDNUSA-N 1 3 312.498 2.096 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H]3CCC4(CCOCC4)O3)CC[C@H]21 ZINC000878196499 690343874 /nfs/dbraw/zinc/34/38/74/690343874.db2.gz CYLSJWBRGDPVJW-IXDOHACOSA-N 1 3 308.466 2.131 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C[C@@H]3CCC4(CCOCC4)O3)CC[C@H]21 ZINC000878196499 690343876 /nfs/dbraw/zinc/34/38/76/690343876.db2.gz CYLSJWBRGDPVJW-IXDOHACOSA-N 1 3 308.466 2.131 20 0 DEADHO CC(C)[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001036464019 690355937 /nfs/dbraw/zinc/35/59/37/690355937.db2.gz IYYQCJBIDXFEAJ-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H]1CCC2(CCC2)O1 ZINC000878311205 690375653 /nfs/dbraw/zinc/37/56/53/690375653.db2.gz DGYJFDLGWBFWHY-QGZVFWFLSA-N 1 3 309.498 2.046 20 0 DEADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H]1CCC2(CCC2)O1 ZINC000878311205 690375655 /nfs/dbraw/zinc/37/56/55/690375655.db2.gz DGYJFDLGWBFWHY-QGZVFWFLSA-N 1 3 309.498 2.046 20 0 DEADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H]1CCC2(CCC2)O1 ZINC000878311204 690375910 /nfs/dbraw/zinc/37/59/10/690375910.db2.gz DGYJFDLGWBFWHY-KRWDZBQOSA-N 1 3 309.498 2.046 20 0 DEADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H]1CCC2(CCC2)O1 ZINC000878311204 690375912 /nfs/dbraw/zinc/37/59/12/690375912.db2.gz DGYJFDLGWBFWHY-KRWDZBQOSA-N 1 3 309.498 2.046 20 0 DEADHO CCCC[N@@H+]1CC[C@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@H]21 ZINC001036735990 690452035 /nfs/dbraw/zinc/45/20/35/690452035.db2.gz TUYMYZOUWXMGLV-JKSUJKDBSA-N 1 3 307.482 2.194 20 0 DEADHO CCCC[N@H+]1CC[C@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@H]21 ZINC001036735990 690452036 /nfs/dbraw/zinc/45/20/36/690452036.db2.gz TUYMYZOUWXMGLV-JKSUJKDBSA-N 1 3 307.482 2.194 20 0 DEADHO CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001037119981 690573587 /nfs/dbraw/zinc/57/35/87/690573587.db2.gz FIQDLORHJZDRQN-IRXDYDNUSA-N 1 3 303.450 2.256 20 0 DEADHO CCC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@@H]1CC ZINC001037949497 690647202 /nfs/dbraw/zinc/64/72/02/690647202.db2.gz MPBPKGBFBSWDIC-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO COc1ccc([C@H]2CN(CC[C@@H]3CCC[N@@H+]3C)CCN2)cc1 ZINC000879519957 690660077 /nfs/dbraw/zinc/66/00/77/690660077.db2.gz CLINLOAOWWQDIF-FUHWJXTLSA-N 1 3 303.450 2.126 20 0 DEADHO COc1ccc([C@H]2CN(CC[C@@H]3CCC[N@H+]3C)CCN2)cc1 ZINC000879519957 690660079 /nfs/dbraw/zinc/66/00/79/690660079.db2.gz CLINLOAOWWQDIF-FUHWJXTLSA-N 1 3 303.450 2.126 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)CC1 ZINC000879563585 690671839 /nfs/dbraw/zinc/67/18/39/690671839.db2.gz CZORXVZDLHJJCR-SJORKVTESA-N 1 3 311.539 2.087 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H]3CSC[C@@H]3C2)CC1 ZINC000879563585 690671842 /nfs/dbraw/zinc/67/18/42/690671842.db2.gz CZORXVZDLHJJCR-SJORKVTESA-N 1 3 311.539 2.087 20 0 DEADHO CN1CC[C@@H]2C[N@H+](C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000879571488 690676352 /nfs/dbraw/zinc/67/63/52/690676352.db2.gz AJKHFKALZBNNKJ-XHSDSOJGSA-N 1 3 323.481 2.269 20 0 DEADHO CN1CC[C@@H]2C[N@@H+](C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000879571488 690676354 /nfs/dbraw/zinc/67/63/54/690676354.db2.gz AJKHFKALZBNNKJ-XHSDSOJGSA-N 1 3 323.481 2.269 20 0 DEADHO CC(C)CN(CC(=O)Nc1ccccn1)CC1CC[NH+](C)CC1 ZINC000879703639 690711126 /nfs/dbraw/zinc/71/11/26/690711126.db2.gz RFUOJYIQHQTVKE-UHFFFAOYSA-N 1 3 318.465 2.320 20 0 DEADHO CC(C)N1CCN(CCC[NH2+]C2([C@@H]3CCCCO3)CCC2)CC1 ZINC000879733816 690717022 /nfs/dbraw/zinc/71/70/22/690717022.db2.gz AELHJIVMILVWRO-SFHVURJKSA-N 1 3 323.525 2.484 20 0 DEADHO C[C@]12CN(C[C@H](O)C3CC3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000880022361 690782140 /nfs/dbraw/zinc/78/21/40/690782140.db2.gz OPQMDUMHRIFQBM-QYZOEREBSA-N 1 3 300.446 2.211 20 0 DEADHO C[C@]12CN(C[C@H](O)C3CC3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000880022361 690782144 /nfs/dbraw/zinc/78/21/44/690782144.db2.gz OPQMDUMHRIFQBM-QYZOEREBSA-N 1 3 300.446 2.211 20 0 DEADHO CC1(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@]3(C)C2)COC1 ZINC000880020845 690782593 /nfs/dbraw/zinc/78/25/93/690782593.db2.gz QUJJFDJRZKFBTR-PKOBYXMFSA-N 1 3 300.446 2.477 20 0 DEADHO CC1(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)COC1 ZINC000880020845 690782595 /nfs/dbraw/zinc/78/25/95/690782595.db2.gz QUJJFDJRZKFBTR-PKOBYXMFSA-N 1 3 300.446 2.477 20 0 DEADHO C[NH+]1CCC(C(=O)NC[C@H]2CCN2CCCC2CCCC2)CC1 ZINC001038662064 690889245 /nfs/dbraw/zinc/88/92/45/690889245.db2.gz IXDQBXHPRXMFNR-GOSISDBHSA-N 1 3 321.509 2.489 20 0 DEADHO CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001039113341 691023069 /nfs/dbraw/zinc/02/30/69/691023069.db2.gz LQLIJIJSGHTLLO-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001039113341 691023070 /nfs/dbraw/zinc/02/30/70/691023070.db2.gz LQLIJIJSGHTLLO-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC([C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001039127848 691028512 /nfs/dbraw/zinc/02/85/12/691028512.db2.gz UAXKVYNEWDQTDW-ROUUACIJSA-N 1 3 319.493 2.051 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC([C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001039127848 691028516 /nfs/dbraw/zinc/02/85/16/691028516.db2.gz UAXKVYNEWDQTDW-ROUUACIJSA-N 1 3 319.493 2.051 20 0 DEADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC1 ZINC001040014947 691175738 /nfs/dbraw/zinc/17/57/38/691175738.db2.gz UYFGMKVSNOBBEN-AHCXZYCDSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001040241533 691219317 /nfs/dbraw/zinc/21/93/17/691219317.db2.gz OVOAEUNYXQDPEV-WMZOPIPTSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001040241533 691219320 /nfs/dbraw/zinc/21/93/20/691219320.db2.gz OVOAEUNYXQDPEV-WMZOPIPTSA-N 1 3 307.482 2.050 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@]2(C1)CCC[N@H+](CCC1CC1)C2 ZINC001040421603 691245835 /nfs/dbraw/zinc/24/58/35/691245835.db2.gz HCACFAYHJXONSU-GOSISDBHSA-N 1 3 316.449 2.067 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@]2(C1)CCC[N@@H+](CCC1CC1)C2 ZINC001040421603 691245837 /nfs/dbraw/zinc/24/58/37/691245837.db2.gz HCACFAYHJXONSU-GOSISDBHSA-N 1 3 316.449 2.067 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@H+](CC4CCC4)C3)C2)C1 ZINC001041678950 691409305 /nfs/dbraw/zinc/40/93/05/691409305.db2.gz KBUTZZHKPMJCBB-QFBILLFUSA-N 1 3 319.493 2.053 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@@H+](CC4CCC4)C3)C2)C1 ZINC001041678950 691409309 /nfs/dbraw/zinc/40/93/09/691409309.db2.gz KBUTZZHKPMJCBB-QFBILLFUSA-N 1 3 319.493 2.053 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001041679054 691409796 /nfs/dbraw/zinc/40/97/96/691409796.db2.gz KGKIWHFQBWVHID-PKOBYXMFSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001041679054 691409797 /nfs/dbraw/zinc/40/97/97/691409797.db2.gz KGKIWHFQBWVHID-PKOBYXMFSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041714328 691414563 /nfs/dbraw/zinc/41/45/63/691414563.db2.gz PSGQUZYTKVGLTN-SFHVURJKSA-N 1 3 318.465 2.313 20 0 DEADHO CC(C)(C)CC[N@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041714328 691414566 /nfs/dbraw/zinc/41/45/66/691414566.db2.gz PSGQUZYTKVGLTN-SFHVURJKSA-N 1 3 318.465 2.313 20 0 DEADHO CCC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001041757122 691424991 /nfs/dbraw/zinc/42/49/91/691424991.db2.gz OWGUDJRTYMAMLJ-SFHVURJKSA-N 1 3 307.482 2.053 20 0 DEADHO CCC[N@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001041757122 691424992 /nfs/dbraw/zinc/42/49/92/691424992.db2.gz OWGUDJRTYMAMLJ-SFHVURJKSA-N 1 3 307.482 2.053 20 0 DEADHO C([C@@H]1CCC2(CCOCC2)O1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000883430121 691507446 /nfs/dbraw/zinc/50/74/46/691507446.db2.gz NKASDFJNOMATQZ-ULQDDVLXSA-N 1 3 308.466 2.179 20 0 DEADHO CC(C)(C(=O)N1CC[C@H]2CC[N@H+](CC3CC3)[C@H]2C1)c1c[nH]cn1 ZINC001042314537 691567144 /nfs/dbraw/zinc/56/71/44/691567144.db2.gz RTOVEZTWEITKGT-CABCVRRESA-N 1 3 316.449 2.020 20 0 DEADHO CC(C)(C(=O)N1CC[C@H]2CC[N@@H+](CC3CC3)[C@H]2C1)c1c[nH]cn1 ZINC001042314537 691567149 /nfs/dbraw/zinc/56/71/49/691567149.db2.gz RTOVEZTWEITKGT-CABCVRRESA-N 1 3 316.449 2.020 20 0 DEADHO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H](N)CC1CC1 ZINC000884183286 691676083 /nfs/dbraw/zinc/67/60/83/691676083.db2.gz IFUVZNZICXZUCP-HNNXBMFYSA-N 1 3 319.449 2.473 20 0 DEADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](N)CC2CC2)CC1 ZINC000884213496 691684285 /nfs/dbraw/zinc/68/42/85/691684285.db2.gz DAFAGTRMZHRCGM-KBXCAEBGSA-N 1 3 315.461 2.456 20 0 DEADHO C[C@H]1C[C@H]([NH2+]Cc2ccsc2)CCN1C(=O)CN1CCCC1 ZINC001044858497 691898436 /nfs/dbraw/zinc/89/84/36/691898436.db2.gz SNOUUKCPJKRUAX-GOEBONIOSA-N 1 3 321.490 2.313 20 0 DEADHO CC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC001044869464 691900047 /nfs/dbraw/zinc/90/00/47/691900047.db2.gz ZWORWUWLVVBHEO-YOEHRIQHSA-N 1 3 303.450 2.351 20 0 DEADHO Cc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C)cs1 ZINC001044959620 691919626 /nfs/dbraw/zinc/91/96/26/691919626.db2.gz KDUZZPOMIKAQGR-HOTGVXAUSA-N 1 3 321.490 2.231 20 0 DEADHO Cc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2CCCN2C)cs1 ZINC001044959622 691919910 /nfs/dbraw/zinc/91/99/10/691919910.db2.gz KDUZZPOMIKAQGR-JKSUJKDBSA-N 1 3 321.490 2.231 20 0 DEADHO CC(C)(C(=O)N1CCC[C@H]1C[NH2+]CC1CC1)N1CCCCC1 ZINC001045036594 691932533 /nfs/dbraw/zinc/93/25/33/691932533.db2.gz CJDWHZJQGGIMMY-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccsc1)N(C)C ZINC001045187624 691949161 /nfs/dbraw/zinc/94/91/61/691949161.db2.gz PJYHAAAJMGLWPX-JKSUJKDBSA-N 1 3 323.506 2.415 20 0 DEADHO CN1CCN(CC[NH2+][C@H]2CCOC3(CCCCC3)C2)CC1(C)C ZINC000886104404 692004634 /nfs/dbraw/zinc/00/46/34/692004634.db2.gz BDALQOLYTMVQQC-KRWDZBQOSA-N 1 3 323.525 2.484 20 0 DEADHO CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001045947524 692059771 /nfs/dbraw/zinc/05/97/71/692059771.db2.gz MDLKPPZZZDGQPC-SJLPKXTDSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001045947524 692059774 /nfs/dbraw/zinc/05/97/74/692059774.db2.gz MDLKPPZZZDGQPC-SJLPKXTDSA-N 1 3 309.498 2.441 20 0 DEADHO CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001045966930 692064592 /nfs/dbraw/zinc/06/45/92/692064592.db2.gz JSUVXNMBISPNSR-WMZOPIPTSA-N 1 3 307.482 2.195 20 0 DEADHO CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001045966930 692064593 /nfs/dbraw/zinc/06/45/93/692064593.db2.gz JSUVXNMBISPNSR-WMZOPIPTSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@H]1CCN(CC(=O)NC2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000886541399 692104814 /nfs/dbraw/zinc/10/48/14/692104814.db2.gz VRSWONKYAONJGU-KXBFYZLASA-N 1 3 315.461 2.280 20 0 DEADHO Cc1nc(C2CC[NH+]([C@@H](C(N)=O)c3ccccc3)CC2)[nH]c1C ZINC000886664333 692152406 /nfs/dbraw/zinc/15/24/06/692152406.db2.gz JDSPXFSLIVVDOO-MRXNPFEDSA-N 1 3 312.417 2.433 20 0 DEADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1CC[C@@H]1COC(C)(C)O1 ZINC000887134509 692287970 /nfs/dbraw/zinc/28/79/70/692287970.db2.gz KYGPZJJOERXTRE-GDBMZVCRSA-N 1 3 305.422 2.134 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@@H]2C1)N(C)C ZINC001048888637 692716833 /nfs/dbraw/zinc/71/68/33/692716833.db2.gz SRCZWMJHXZRYSM-IXDOHACOSA-N 1 3 321.509 2.153 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CC3CC(C)(C)C3)C[C@@H]2C1)N(C)C ZINC001048888637 692716837 /nfs/dbraw/zinc/71/68/37/692716837.db2.gz SRCZWMJHXZRYSM-IXDOHACOSA-N 1 3 321.509 2.153 20 0 DEADHO CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049628754 692944934 /nfs/dbraw/zinc/94/49/34/692944934.db2.gz IOCFVIWCSYSYPJ-CVEARBPZSA-N 1 3 307.482 2.336 20 0 DEADHO CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049628754 692944936 /nfs/dbraw/zinc/94/49/36/692944936.db2.gz IOCFVIWCSYSYPJ-CVEARBPZSA-N 1 3 307.482 2.336 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCN[C@@H]2CCOC23CCOCC3)C1 ZINC000924683570 693170550 /nfs/dbraw/zinc/17/05/50/693170550.db2.gz GTYSNKKSGUIFGO-BRWVUGGUSA-N 1 3 310.482 2.282 20 0 DEADHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+][C@@H]2CCOC23CCOCC3)C1 ZINC000924683570 693170553 /nfs/dbraw/zinc/17/05/53/693170553.db2.gz GTYSNKKSGUIFGO-BRWVUGGUSA-N 1 3 310.482 2.282 20 0 DEADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(C(C)(C)O)cc1 ZINC000924756836 693181231 /nfs/dbraw/zinc/18/12/31/693181231.db2.gz MYVWENJOJAVUQG-RHSMWYFYSA-N 1 3 306.450 2.021 20 0 DEADHO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(C(C)(C)O)cc1 ZINC000924756842 693181308 /nfs/dbraw/zinc/18/13/08/693181308.db2.gz MYVWENJOJAVUQG-YOEHRIQHSA-N 1 3 306.450 2.021 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C1)CC[NH+](CCC1CC1)CC2)N(C)C ZINC001050668487 693228252 /nfs/dbraw/zinc/22/82/52/693228252.db2.gz RTYLAGYDOHPCFO-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc([O-])cc(F)c1 ZINC000925216784 693242739 /nfs/dbraw/zinc/24/27/39/693242739.db2.gz ULSSLOVCHDSCGC-ZDUSSCGKSA-N 1 3 309.429 2.208 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC2(C1)CC[NH+](CC1CC1)CC2 ZINC001050766454 693246818 /nfs/dbraw/zinc/24/68/18/693246818.db2.gz OTXIOSITZLFRIP-IYBDPMFKSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)C[NH+]1CCC2(CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001050766740 693246870 /nfs/dbraw/zinc/24/68/70/693246870.db2.gz VSQLIZJSNPBGDF-CALCHBBNSA-N 1 3 321.509 2.440 20 0 DEADHO CN(CCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)CC(F)(F)F ZINC000925479971 693279604 /nfs/dbraw/zinc/27/96/04/693279604.db2.gz TWVLYHRTRVCAQW-KBPBESRZSA-N 1 3 307.404 2.238 20 0 DEADHO Cc1nc(CN2CCC(CN[C@H]3CC[NH2+]C3(C)C)CC2)oc1C ZINC000925480508 693279870 /nfs/dbraw/zinc/27/98/70/693279870.db2.gz WLLOMLSRRWMJLH-INIZCTEOSA-N 1 3 320.481 2.234 20 0 DEADHO CC1(C)[C@H](NC[C@H](CO)Cc2ccc(F)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925500868 693283565 /nfs/dbraw/zinc/28/35/65/693283565.db2.gz GYUGVRQKDSMIAI-NRSFXHEJSA-N 1 3 320.452 2.343 20 0 DEADHO CC1(C)[C@H]([NH2+]C[C@H](CO)Cc2ccc(F)cc2)[C@@H]2CCCN[C@@H]21 ZINC000925500868 693283566 /nfs/dbraw/zinc/28/35/66/693283566.db2.gz GYUGVRQKDSMIAI-NRSFXHEJSA-N 1 3 320.452 2.343 20 0 DEADHO O[C@H](CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)Cc1ccccc1 ZINC000925499442 693283797 /nfs/dbraw/zinc/28/37/97/693283797.db2.gz PGBNMYLLJAHABO-OTWHNJEPSA-N 1 3 302.462 2.348 20 0 DEADHO CC1(C)[C@@H](NC[C@H](CO)Cc2ccc(F)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925500865 693283915 /nfs/dbraw/zinc/28/39/15/693283915.db2.gz GYUGVRQKDSMIAI-BGTYHANMSA-N 1 3 320.452 2.343 20 0 DEADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@H](CO)Cc1ccc(F)cc1 ZINC000925500865 693283919 /nfs/dbraw/zinc/28/39/19/693283919.db2.gz GYUGVRQKDSMIAI-BGTYHANMSA-N 1 3 320.452 2.343 20 0 DEADHO CC(C)C(=O)N1CCC([NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925530635 693290024 /nfs/dbraw/zinc/29/00/24/693290024.db2.gz GESIVOMUCDIDML-QZTJIDSGSA-N 1 3 321.509 2.391 20 0 DEADHO COc1cc(OC)cc(OCCCN[C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925579198 693302178 /nfs/dbraw/zinc/30/21/78/693302178.db2.gz CXSWEOPPDMJTDA-DLBZAZTESA-N 1 3 320.433 2.332 20 0 DEADHO O=C(CCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)Nc1ccccn1 ZINC000925598300 693306412 /nfs/dbraw/zinc/30/64/12/693306412.db2.gz UZLRHBZLWQUBOJ-CVEARBPZSA-N 1 3 316.449 2.168 20 0 DEADHO CC1(C)[NH2+]CC[C@H]1NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000925649310 693317134 /nfs/dbraw/zinc/31/71/34/693317134.db2.gz DCTJGHHXKNODSU-QZTJIDSGSA-N 1 3 317.477 2.008 20 0 DEADHO C[C@@H]1NCCC[C@H]1[NH2+]C[C@H]1CSCCN1Cc1ccccc1 ZINC000925651269 693318071 /nfs/dbraw/zinc/31/80/71/693318071.db2.gz ZHRKURXUCJDMEP-RYQLBKOJSA-N 1 3 319.518 2.334 20 0 DEADHO Cn1c2cc(CN[C@H]3C[C@H]([NH3+])CC(C)(C)C3)ccc2oc1=O ZINC000925719654 693329435 /nfs/dbraw/zinc/32/94/35/693329435.db2.gz UKVQELVBULLOTA-STQMWFEESA-N 1 3 303.406 2.127 20 0 DEADHO c1ccc(CN2CCCCC[C@H](N[C@H]3C[NH2+]CCOC3)C2)cc1 ZINC000925724541 693329788 /nfs/dbraw/zinc/32/97/88/693329788.db2.gz KJFOWAMGUMZAEJ-OALUTQOASA-N 1 3 317.477 2.009 20 0 DEADHO c1ccc2c(c1)CN[C@H](CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)C2 ZINC000925732282 693331634 /nfs/dbraw/zinc/33/16/34/693331634.db2.gz XPAMLSFUBFREKS-UFYCRDLUSA-N 1 3 313.489 2.459 20 0 DEADHO c1ccc2c(c1)CN[C@H](CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)C2 ZINC000925732283 693332188 /nfs/dbraw/zinc/33/21/88/693332188.db2.gz XPAMLSFUBFREKS-XUVXKRRUSA-N 1 3 313.489 2.459 20 0 DEADHO C(N[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CCC2(CCC2)CO1 ZINC000925773869 693338609 /nfs/dbraw/zinc/33/86/09/693338609.db2.gz HMQJPBUMKRRARN-LUKYLMHMSA-N 1 3 308.466 2.082 20 0 DEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCC2(CCOCC2)CO1 ZINC000925774957 693339478 /nfs/dbraw/zinc/33/94/78/693339478.db2.gz YUPULXMJJBEBRB-GVDBMIGSSA-N 1 3 310.482 2.459 20 0 DEADHO C[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1cccc(-n2ccnn2)c1 ZINC000925775350 693339974 /nfs/dbraw/zinc/33/99/74/693339974.db2.gz FYYHRMMCWQWYNE-JSGCOSHPSA-N 1 3 321.375 2.163 20 0 DEADHO CCS(=O)(=O)c1ccccc1CCN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000925833854 693349822 /nfs/dbraw/zinc/34/98/22/693349822.db2.gz KWOAOVFCOODHDZ-GDBMZVCRSA-N 1 3 324.490 2.000 20 0 DEADHO C[C@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc(F)c1 ZINC000925854066 693354276 /nfs/dbraw/zinc/35/42/76/693354276.db2.gz KBUSZGQYYGEQBM-SWLSCSKDSA-N 1 3 306.381 2.162 20 0 DEADHO C[C@H](NCCOCC[NH+](C)C)c1cccc(Br)n1 ZINC000926256359 693425093 /nfs/dbraw/zinc/42/50/93/693425093.db2.gz WMAJLQRLDQNHCR-NSHDSACASA-N 1 3 316.243 2.073 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000926801731 693513429 /nfs/dbraw/zinc/51/34/29/693513429.db2.gz PFVPBJVEEXUUHJ-RJYZDAFYSA-N 1 3 323.481 2.220 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099825 693689319 /nfs/dbraw/zinc/68/93/19/693689319.db2.gz ZNNXUQWYIKXYLQ-WBVHZDCISA-N 1 3 318.465 2.455 20 0 DEADHO CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099825 693689321 /nfs/dbraw/zinc/68/93/21/693689321.db2.gz ZNNXUQWYIKXYLQ-WBVHZDCISA-N 1 3 318.465 2.455 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC2(C[C@H]2NC(=O)CN(C)C(C)C)CC1 ZINC001402226713 1162297670 /nfs/dbraw/zinc/29/76/70/1162297670.db2.gz BYIOBCHWPJPHMV-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001402408236 1162347099 /nfs/dbraw/zinc/34/70/99/1162347099.db2.gz ITXFCLKNXFPVIC-BZSNNMDCSA-N 1 3 323.525 2.496 20 0 DEADHO CC[NH+]1CCC([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)CC1 ZINC001402418047 1162349446 /nfs/dbraw/zinc/34/94/46/1162349446.db2.gz UPXKZBFYEUQYMI-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]C[C@H](O)c2ccc(F)cc2)C[C@@H](C)O1 ZINC001335352025 1150399261 /nfs/dbraw/zinc/39/92/61/1150399261.db2.gz VPKJHWVHIDDCLS-RKVPGOIHSA-N 1 3 324.440 2.338 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001402639290 1162422891 /nfs/dbraw/zinc/42/28/91/1162422891.db2.gz YQVXGEDRBYYJRK-IYBDPMFKSA-N 1 3 307.482 2.145 20 0 DEADHO CN(CCCN(C)C(=O)C1(C[NH+](C)C)CC1)Cc1ccsc1 ZINC001402649158 1162427028 /nfs/dbraw/zinc/42/70/28/1162427028.db2.gz PIAUPRDBDHZFPQ-UHFFFAOYSA-N 1 3 323.506 2.370 20 0 DEADHO CN(CCC[N@H+](C)CC1CCCCC1)C(=O)Cc1c[nH]cn1 ZINC001402658950 1162431647 /nfs/dbraw/zinc/43/16/47/1162431647.db2.gz PXMIDSANNXDIKP-UHFFFAOYSA-N 1 3 306.454 2.313 20 0 DEADHO CN(CCC[N@@H+](C)CC1CCCCC1)C(=O)Cc1c[nH]cn1 ZINC001402658950 1162431650 /nfs/dbraw/zinc/43/16/50/1162431650.db2.gz PXMIDSANNXDIKP-UHFFFAOYSA-N 1 3 306.454 2.313 20 0 DEADHO C[NH2+]CCCCC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001353508811 1151835127 /nfs/dbraw/zinc/83/51/27/1151835127.db2.gz ORNSJDQUFJDJJQ-DOTOQJQBSA-N 1 3 303.450 2.328 20 0 DEADHO CCC1([NH2+]CC2CCC2)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001402704847 1162445615 /nfs/dbraw/zinc/44/56/15/1162445615.db2.gz MBWMXMFKGRJTQP-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CCCCNc1cc(C)nc(N[C@H](C)[C@H]2CN(C)CCN2C)n1 ZINC001354267192 1151881094 /nfs/dbraw/zinc/88/10/94/1151881094.db2.gz WQHHQABSFAYMEE-HUUCEWRRSA-N 1 3 320.485 2.043 20 0 DEADHO C[C@@H](CC[NH+](C)C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001361638855 1152700093 /nfs/dbraw/zinc/70/00/93/1152700093.db2.gz CBODCUMDGUCEEL-FUHWJXTLSA-N 1 3 317.477 2.355 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC001361807154 1152746418 /nfs/dbraw/zinc/74/64/18/1152746418.db2.gz UFUFICBDDHRCMA-IXDOHACOSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC001361807154 1152746420 /nfs/dbraw/zinc/74/64/20/1152746420.db2.gz UFUFICBDDHRCMA-IXDOHACOSA-N 1 3 309.498 2.486 20 0 DEADHO CN(C)C1(C(=O)N(C)C2CC([NH2+]Cc3ccsc3)C2)CCC1 ZINC001380156935 1152759040 /nfs/dbraw/zinc/75/90/40/1152759040.db2.gz MMOFWQYYUAVGAV-UHFFFAOYSA-N 1 3 321.490 2.311 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001380208587 1152768544 /nfs/dbraw/zinc/76/85/44/1152768544.db2.gz MJSZIQRHSDMLEG-GOSISDBHSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001380208587 1152768545 /nfs/dbraw/zinc/76/85/45/1152768545.db2.gz MJSZIQRHSDMLEG-GOSISDBHSA-N 1 3 309.498 2.297 20 0 DEADHO CN(C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001362246378 1152859626 /nfs/dbraw/zinc/85/96/26/1152859626.db2.gz FHCIYCNFKDPDOM-YJBOKZPZSA-N 1 3 317.477 2.485 20 0 DEADHO CC[C@@H](F)C[NH2+]C1(C)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001381107813 1152910925 /nfs/dbraw/zinc/91/09/25/1152910925.db2.gz HCCRZBVDUQKVAH-CQSZACIVSA-N 1 3 313.461 2.190 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@@H+]3C2)CC1 ZINC001362982333 1153171702 /nfs/dbraw/zinc/17/17/02/1153171702.db2.gz BRIRUMHLCSMADF-GVDBMIGSSA-N 1 3 321.509 2.440 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@H+]3C2)CC1 ZINC001362982333 1153171704 /nfs/dbraw/zinc/17/17/04/1153171704.db2.gz BRIRUMHLCSMADF-GVDBMIGSSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@H](C(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2)N1CCCCCC1 ZINC001363137464 1153239032 /nfs/dbraw/zinc/23/90/32/1153239032.db2.gz BRAHCRKKAQYWGR-OWCLPIDISA-N 1 3 307.482 2.240 20 0 DEADHO CC[C@H](C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@@H]2C1 ZINC001381908397 1153270945 /nfs/dbraw/zinc/27/09/45/1153270945.db2.gz YGRCPKLXSUJMFE-LUKYLMHMSA-N 1 3 323.525 2.304 20 0 DEADHO CC[C@H](C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@@H]2C1 ZINC001381908397 1153270948 /nfs/dbraw/zinc/27/09/48/1153270948.db2.gz YGRCPKLXSUJMFE-LUKYLMHMSA-N 1 3 323.525 2.304 20 0 DEADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)[C@H]2C)cs1 ZINC001382311066 1153420117 /nfs/dbraw/zinc/42/01/17/1153420117.db2.gz QDKBWYRLAQVMFH-GOEBONIOSA-N 1 3 323.506 2.476 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccc(Cl)cc1 ZINC001403006468 1162618989 /nfs/dbraw/zinc/61/89/89/1162618989.db2.gz PAEZVTUJOZIBEF-UONOGXRCSA-N 1 3 323.868 2.276 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C[C@H]1CCN1CCC1CC1)[NH+]1CCCC1 ZINC001388668543 1155062090 /nfs/dbraw/zinc/06/20/90/1155062090.db2.gz ZCRWVGYEQFPCAF-MSOLQXFVSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001388682292 1155065271 /nfs/dbraw/zinc/06/52/71/1155065271.db2.gz RLEDSLZFAUXAKA-UAGQMJEPSA-N 1 3 323.525 2.493 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CC1)C1CC1 ZINC001389679669 1155394633 /nfs/dbraw/zinc/39/46/33/1155394633.db2.gz XQYYGOPJWWZZNW-IRXDYDNUSA-N 1 3 307.482 2.144 20 0 DEADHO C[C@@H](N[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1)c1ccccc1F ZINC001389995644 1155493914 /nfs/dbraw/zinc/49/39/14/1155493914.db2.gz XQOKJJYUHSEWSM-KFWWJZLASA-N 1 3 321.440 2.465 20 0 DEADHO C[C@@H](N[C@@H](C)CNC(=O)CC[NH+](C)C)c1ccc(F)c(F)c1 ZINC001390468963 1155738615 /nfs/dbraw/zinc/73/86/15/1155738615.db2.gz POWDPEARXMYGJN-NWDGAFQWSA-N 1 3 313.392 2.072 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CNC(=O)CN(C)C2CCC2)cc1F ZINC001371212919 1155789241 /nfs/dbraw/zinc/78/92/41/1155789241.db2.gz OTCMJKHKQTVPAS-CQSZACIVSA-N 1 3 321.440 2.213 20 0 DEADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccccc1 ZINC001390660427 1155830116 /nfs/dbraw/zinc/83/01/16/1155830116.db2.gz FPIHWPCASJUXMG-OAHLLOKOSA-N 1 3 303.450 2.155 20 0 DEADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001390700870 1155842311 /nfs/dbraw/zinc/84/23/11/1155842311.db2.gz DHTJVPIMXRJVSV-WBVHZDCISA-N 1 3 305.466 2.320 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001371542798 1155869079 /nfs/dbraw/zinc/86/90/79/1155869079.db2.gz CWXILBKXZJPVCV-PBHICJAKSA-N 1 3 321.440 2.419 20 0 DEADHO Cc1cccc(C)c1C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001371557069 1155872133 /nfs/dbraw/zinc/87/21/33/1155872133.db2.gz UBMPBKIVCFZFNK-KRWDZBQOSA-N 1 3 317.477 2.334 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCCN(CC)Cc2ccccc2)CC[N@@H+]1C ZINC001390906100 1155945516 /nfs/dbraw/zinc/94/55/16/1155945516.db2.gz PUTKACHWMUJJBY-ZWKOTPCHSA-N 1 3 317.477 2.355 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCCN(CC)Cc2ccccc2)CC[N@H+]1C ZINC001390906100 1155945518 /nfs/dbraw/zinc/94/55/18/1155945518.db2.gz PUTKACHWMUJJBY-ZWKOTPCHSA-N 1 3 317.477 2.355 20 0 DEADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CC1CC(C)(C)C1 ZINC001371771962 1156009322 /nfs/dbraw/zinc/00/93/22/1156009322.db2.gz SGYLDTRMDHJBMS-AWEZNQCLSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H](c1ccc(F)cc1)N1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001391059542 1156076471 /nfs/dbraw/zinc/07/64/71/1156076471.db2.gz HAYUPWDRXQBBFD-WMLDXEAASA-N 1 3 321.440 2.419 20 0 DEADHO C[C@H](NCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1F ZINC001391233576 1156272070 /nfs/dbraw/zinc/27/20/70/1156272070.db2.gz ZRXGYKYPAHYHOF-LSDHHAIUSA-N 1 3 321.440 2.277 20 0 DEADHO C[C@H](NCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)c1ccccc1F ZINC001391233576 1156272074 /nfs/dbraw/zinc/27/20/74/1156272074.db2.gz ZRXGYKYPAHYHOF-LSDHHAIUSA-N 1 3 321.440 2.277 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC001403173951 1162807022 /nfs/dbraw/zinc/80/70/22/1162807022.db2.gz YVFGVNMQEGCJHQ-QAPCUYQASA-N 1 3 317.477 2.499 20 0 DEADHO CCC[NH2+][C@H](CNC(=O)[C@H](C(C)C)N(C)C)c1ccccc1 ZINC001373055759 1156848011 /nfs/dbraw/zinc/84/80/11/1156848011.db2.gz FMXFYWZFSQRBDN-SJORKVTESA-N 1 3 305.466 2.430 20 0 DEADHO C[C@H](C[NH2+]Cc1ccc(CF)cc1)N(C)C(=O)[C@@H]1CCCN1C ZINC001392051424 1156857877 /nfs/dbraw/zinc/85/78/77/1156857877.db2.gz REJZQMHOERYMKY-PBHICJAKSA-N 1 3 321.440 2.187 20 0 DEADHO CN(C/C=C/Cl)CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001373322157 1156979351 /nfs/dbraw/zinc/97/93/51/1156979351.db2.gz WJOYYUPDZKDRDQ-WEVVVXLNSA-N 1 3 315.889 2.251 20 0 DEADHO CC[C@@H](C(=O)N(CC)CC[NH2+][C@H]1CCc2ccccc21)N(C)C ZINC001392455377 1157054760 /nfs/dbraw/zinc/05/47/60/1157054760.db2.gz RZAZNFWINWYLRG-ROUUACIJSA-N 1 3 317.477 2.452 20 0 DEADHO CN(CC(=O)NCC1C[NH+](CC2CC3(CCC3)C2)C1)C1CCC1 ZINC001373514411 1157077173 /nfs/dbraw/zinc/07/71/73/1157077173.db2.gz QFWPFLVXULFZFP-UHFFFAOYSA-N 1 3 319.493 2.099 20 0 DEADHO CC[N@H+](C)CCC(=O)NCC1CN(Cc2c(C)cccc2C)C1 ZINC001373543513 1157088848 /nfs/dbraw/zinc/08/88/48/1157088848.db2.gz KACBQLQMLDMJCJ-UHFFFAOYSA-N 1 3 317.477 2.193 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCC1CN(Cc2c(C)cccc2C)C1 ZINC001373543513 1157088856 /nfs/dbraw/zinc/08/88/56/1157088856.db2.gz KACBQLQMLDMJCJ-UHFFFAOYSA-N 1 3 317.477 2.193 20 0 DEADHO CC[N@H+](C)CCC(=O)N(C)[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001373688163 1157268653 /nfs/dbraw/zinc/26/86/53/1157268653.db2.gz PAWLPPXRLLLSQD-SFHVURJKSA-N 1 3 317.477 2.370 20 0 DEADHO CC[N@@H+](C)CCC(=O)N(C)[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001373688163 1157268664 /nfs/dbraw/zinc/26/86/64/1157268664.db2.gz PAWLPPXRLLLSQD-SFHVURJKSA-N 1 3 317.477 2.370 20 0 DEADHO CCN(C(=O)CC[NH+](C)C)[C@@H]1CCN(Cc2csc(C)c2)C1 ZINC001373707660 1157300635 /nfs/dbraw/zinc/30/06/35/1157300635.db2.gz IUJQJVFVEDQHFA-MRXNPFEDSA-N 1 3 323.506 2.431 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCc1ccccc1F)N(C)C ZINC001392686516 1157336994 /nfs/dbraw/zinc/33/69/94/1157336994.db2.gz OHRGLIBLNPDOKA-YOEHRIQHSA-N 1 3 323.456 2.145 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCc1ccccc1F)N(C)C ZINC001392686516 1157337002 /nfs/dbraw/zinc/33/70/02/1157337002.db2.gz OHRGLIBLNPDOKA-YOEHRIQHSA-N 1 3 323.456 2.145 20 0 DEADHO Cc1cccc(CN(C)C[C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001392717533 1157367160 /nfs/dbraw/zinc/36/71/60/1157367160.db2.gz AIPJCAUQFJKTDA-WMZOPIPTSA-N 1 3 317.477 2.273 20 0 DEADHO Cc1cccc(CN(C)C[C@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001392717533 1157367170 /nfs/dbraw/zinc/36/71/70/1157367170.db2.gz AIPJCAUQFJKTDA-WMZOPIPTSA-N 1 3 317.477 2.273 20 0 DEADHO C[C@@H](CN(C)Cc1cccc(F)c1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001392724512 1157371490 /nfs/dbraw/zinc/37/14/90/1157371490.db2.gz OPPOJYAEJITDJU-HOCLYGCPSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@@H](CN(C)Cc1cccc(F)c1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001392724512 1157371496 /nfs/dbraw/zinc/37/14/96/1157371496.db2.gz OPPOJYAEJITDJU-HOCLYGCPSA-N 1 3 321.440 2.104 20 0 DEADHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccccc1C ZINC001373797924 1157372497 /nfs/dbraw/zinc/37/24/97/1157372497.db2.gz OIANQAXUJRNJAQ-QAPCUYQASA-N 1 3 317.477 2.321 20 0 DEADHO CC[C@@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1ccc(C)cc1 ZINC001373798550 1157372654 /nfs/dbraw/zinc/37/26/54/1157372654.db2.gz SIPCEDSQFKJHHR-IRXDYDNUSA-N 1 3 305.466 2.320 20 0 DEADHO C[NH+](C)CC1(C(=O)NC[C@H]2CCN2CCC2CCCCC2)CC1 ZINC001392848459 1157468472 /nfs/dbraw/zinc/46/84/72/1157468472.db2.gz PUFWUCCCBQUPSA-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@H](C(=O)NCCC1CC[NH+](C[C@@H](F)CC)CC1)N(C)C ZINC001373945693 1157489472 /nfs/dbraw/zinc/48/94/72/1157489472.db2.gz JURBOUQMLGOIEP-JKSUJKDBSA-N 1 3 315.477 2.293 20 0 DEADHO C[C@H](C(=O)NCC1([NH2+]CC2CCC2)CC1)N1CCCCCC1 ZINC001392944280 1157555734 /nfs/dbraw/zinc/55/57/34/1157555734.db2.gz WIRWDBMUCYZTAK-OAHLLOKOSA-N 1 3 307.482 2.289 20 0 DEADHO Cc1ccc(C)c(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCN2C)c1 ZINC001374207336 1157726644 /nfs/dbraw/zinc/72/66/44/1157726644.db2.gz SAKBGEFXKUIHNB-FUHWJXTLSA-N 1 3 317.477 2.334 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001403459859 1162889973 /nfs/dbraw/zinc/88/99/73/1162889973.db2.gz MODWALRNNOZADJ-KOMQPUFPSA-N 1 3 309.498 2.247 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001393210182 1157765901 /nfs/dbraw/zinc/76/59/01/1157765901.db2.gz YGBYAOQUDOZPPO-WMZOPIPTSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001393210182 1157765908 /nfs/dbraw/zinc/76/59/08/1157765908.db2.gz YGBYAOQUDOZPPO-WMZOPIPTSA-N 1 3 311.514 2.447 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@H+](CCC)C1 ZINC001393210470 1157765987 /nfs/dbraw/zinc/76/59/87/1157765987.db2.gz XHZFHOAMGZSXQE-WMZOPIPTSA-N 1 3 309.498 2.489 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001374281407 1157801057 /nfs/dbraw/zinc/80/10/57/1157801057.db2.gz OEHHDECLBQMGHQ-HOCLYGCPSA-N 1 3 309.498 2.343 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC(CC[N@H+](C)CCC2CC2)CC1 ZINC001374400546 1157839806 /nfs/dbraw/zinc/83/98/06/1157839806.db2.gz IDTBAWWEHCLOJF-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC(CC[N@@H+](C)CCC2CC2)CC1 ZINC001374400546 1157839808 /nfs/dbraw/zinc/83/98/08/1157839808.db2.gz IDTBAWWEHCLOJF-GOSISDBHSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[C@@H](CCNC(=O)C(C)(C)N1CCCCC1)[NH2+]CCF ZINC001403485567 1162897887 /nfs/dbraw/zinc/89/78/87/1162897887.db2.gz YKQSLIRWWAQPPU-OAHLLOKOSA-N 1 3 315.477 2.341 20 0 DEADHO C[C@H](NCCF)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001393490404 1157841994 /nfs/dbraw/zinc/84/19/94/1157841994.db2.gz JCPOZKZXPXRFPM-AWEZNQCLSA-N 1 3 321.440 2.265 20 0 DEADHO CCc1ccccc1C[NH2+]C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001374769067 1158015256 /nfs/dbraw/zinc/01/52/56/1158015256.db2.gz AZESHAAAQOBHPH-OAHLLOKOSA-N 1 3 317.477 2.328 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001375511168 1158787480 /nfs/dbraw/zinc/78/74/80/1158787480.db2.gz LIBXWFKGRALYCH-SFFUCWETSA-N 1 3 321.509 2.247 20 0 DEADHO Cc1cccc(C[NH2+]C2(CNC(=O)[C@H](C(C)C)N(C)C)CC2)c1 ZINC001375527933 1158803037 /nfs/dbraw/zinc/80/30/37/1158803037.db2.gz AJNHRJHVWYQSBT-KRWDZBQOSA-N 1 3 317.477 2.320 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC2([NH2+]CC3CCC3)CC2)c1 ZINC001375554446 1158811383 /nfs/dbraw/zinc/81/13/83/1158811383.db2.gz PTXBZJRTMWIUQY-UHFFFAOYSA-N 1 3 315.461 2.400 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CCC1CC1)N(C)C ZINC001375676300 1158845747 /nfs/dbraw/zinc/84/57/47/1158845747.db2.gz IOKMLEXAGLEGCH-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)CCC1CC1)N(C)C ZINC001375676300 1158845748 /nfs/dbraw/zinc/84/57/48/1158845748.db2.gz IOKMLEXAGLEGCH-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2)C[C@H]1C ZINC001375741101 1158858324 /nfs/dbraw/zinc/85/83/24/1158858324.db2.gz PBLCWULLSRAKFM-SJLPKXTDSA-N 1 3 317.477 2.496 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001376634386 1159625985 /nfs/dbraw/zinc/62/59/85/1159625985.db2.gz XWFFXOBBNAZKMQ-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001376634386 1159626014 /nfs/dbraw/zinc/62/60/14/1159626014.db2.gz XWFFXOBBNAZKMQ-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCc1ccccc1F ZINC001376716937 1159718559 /nfs/dbraw/zinc/71/85/59/1159718559.db2.gz KRYKNMZQZVVBOY-PBHICJAKSA-N 1 3 321.440 2.293 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCc1ccccc1F ZINC001376716937 1159718568 /nfs/dbraw/zinc/71/85/68/1159718568.db2.gz KRYKNMZQZVVBOY-PBHICJAKSA-N 1 3 321.440 2.293 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1)N(C)C ZINC001376768040 1159781330 /nfs/dbraw/zinc/78/13/30/1159781330.db2.gz VZLSQEIHHDZZGN-RDTXWAMCSA-N 1 3 317.477 2.499 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N[C@@H](C)c1ccccc1F ZINC001376836410 1159818847 /nfs/dbraw/zinc/81/88/47/1159818847.db2.gz DFJMLOQBFHTJDG-KBPBESRZSA-N 1 3 309.429 2.323 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N[C@@H](C)c1ccccc1F ZINC001376836410 1159818850 /nfs/dbraw/zinc/81/88/50/1159818850.db2.gz DFJMLOQBFHTJDG-KBPBESRZSA-N 1 3 309.429 2.323 20 0 DEADHO CN(CCC[N@H+](C)CCc1cccs1)C(=O)Cc1c[nH]cn1 ZINC001376994285 1159869356 /nfs/dbraw/zinc/86/93/56/1159869356.db2.gz GJQICGZONIKYIR-UHFFFAOYSA-N 1 3 320.462 2.037 20 0 DEADHO CN(CCC[N@@H+](C)CCc1cccs1)C(=O)Cc1c[nH]cn1 ZINC001376994285 1159869359 /nfs/dbraw/zinc/86/93/59/1159869359.db2.gz GJQICGZONIKYIR-UHFFFAOYSA-N 1 3 320.462 2.037 20 0 DEADHO CC(C)c1ccccc1C[N@H+](C)CCNC(=O)[C@H]1CCCN1C ZINC001377128358 1159935030 /nfs/dbraw/zinc/93/50/30/1159935030.db2.gz HEEWVYNHIIAJGR-GOSISDBHSA-N 1 3 317.477 2.452 20 0 DEADHO CC(C)c1ccccc1C[N@@H+](C)CCNC(=O)[C@H]1CCCN1C ZINC001377128358 1159935047 /nfs/dbraw/zinc/93/50/47/1159935047.db2.gz HEEWVYNHIIAJGR-GOSISDBHSA-N 1 3 317.477 2.452 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)CCc1cccs1 ZINC001377152191 1159990072 /nfs/dbraw/zinc/99/00/72/1159990072.db2.gz VJXOQEHBAXKTGT-MRXNPFEDSA-N 1 3 323.506 2.211 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN(C)CCc1cccs1 ZINC001377152191 1159990099 /nfs/dbraw/zinc/99/00/99/1159990099.db2.gz VJXOQEHBAXKTGT-MRXNPFEDSA-N 1 3 323.506 2.211 20 0 DEADHO C[C@@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001397126871 1160006190 /nfs/dbraw/zinc/00/61/90/1160006190.db2.gz AIGZKPZPLLXAND-RBSFLKMASA-N 1 3 313.461 2.093 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CC[N@H+](CC3CC3)CC(C)(C)C2)CCC1 ZINC001397276240 1160103990 /nfs/dbraw/zinc/10/39/90/1160103990.db2.gz YBRUYPPUBFJVFR-MRXNPFEDSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)CC(C)(C)C2)CCC1 ZINC001397276240 1160104002 /nfs/dbraw/zinc/10/40/02/1160104002.db2.gz YBRUYPPUBFJVFR-MRXNPFEDSA-N 1 3 321.509 2.488 20 0 DEADHO CC[N@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)CC1CC(C)(C)C1 ZINC001377337791 1160234572 /nfs/dbraw/zinc/23/45/72/1160234572.db2.gz IFCALQIJZNKTKD-MRXNPFEDSA-N 1 3 311.514 2.447 20 0 DEADHO CC[N@@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)CC1CC(C)(C)C1 ZINC001377337791 1160234586 /nfs/dbraw/zinc/23/45/86/1160234586.db2.gz IFCALQIJZNKTKD-MRXNPFEDSA-N 1 3 311.514 2.447 20 0 DEADHO CC[N@H+](CCNC(=O)Cc1nc[nH]c1C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001377363557 1160269849 /nfs/dbraw/zinc/26/98/49/1160269849.db2.gz SLEOBIFNKUJDHF-OAGGEKHMSA-N 1 3 318.465 2.135 20 0 DEADHO CC[N@@H+](CCNC(=O)Cc1nc[nH]c1C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001377363557 1160269862 /nfs/dbraw/zinc/26/98/62/1160269862.db2.gz SLEOBIFNKUJDHF-OAGGEKHMSA-N 1 3 318.465 2.135 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001397691927 1160403588 /nfs/dbraw/zinc/40/35/88/1160403588.db2.gz DQLRCBPOJYKVHX-KOMQPUFPSA-N 1 3 309.498 2.249 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCCC(C)C)C1 ZINC001398283408 1160843100 /nfs/dbraw/zinc/84/31/00/1160843100.db2.gz CPJKNBWSPCRKLC-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001398283408 1160843104 /nfs/dbraw/zinc/84/31/04/1160843104.db2.gz CPJKNBWSPCRKLC-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccsc2)C[C@H]1C ZINC001403767412 1163156773 /nfs/dbraw/zinc/15/67/73/1163156773.db2.gz ZDXCPFYJXWTKIR-UKRRQHHQSA-N 1 3 309.479 2.169 20 0 DEADHO CC1CC(CN2C[C@H]3CC[C@@H](C2)N3C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001398479556 1160910938 /nfs/dbraw/zinc/91/09/38/1160910938.db2.gz MWVKTFXBMBTAJA-UCUFBTAOSA-N 1 3 319.493 2.050 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[N@H+](C)CC1CC(C)(C)C1 ZINC001378136512 1161046989 /nfs/dbraw/zinc/04/69/89/1161046989.db2.gz FHZLLKXTCBPUBN-CABCVRRESA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[N@@H+](C)CC1CC(C)(C)C1 ZINC001378136512 1161046993 /nfs/dbraw/zinc/04/69/93/1161046993.db2.gz FHZLLKXTCBPUBN-CABCVRRESA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001399170470 1161266959 /nfs/dbraw/zinc/26/69/59/1161266959.db2.gz SKQMPLQBAGZMMW-KXKDPZRNSA-N 1 3 303.450 2.134 20 0 DEADHO CCc1cccc(CN(C)CCNC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001399642384 1161496110 /nfs/dbraw/zinc/49/61/10/1161496110.db2.gz NSCUHSFFQHZACO-SFHVURJKSA-N 1 3 317.477 2.139 20 0 DEADHO CCc1cccc(CN(C)CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001399642384 1161496113 /nfs/dbraw/zinc/49/61/13/1161496113.db2.gz NSCUHSFFQHZACO-SFHVURJKSA-N 1 3 317.477 2.139 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC1)[NH+](CC)CC ZINC001400599506 1161780964 /nfs/dbraw/zinc/78/09/64/1161780964.db2.gz UMMJRAXPZVOJBN-YESZJQIVSA-N 1 3 307.482 2.192 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1cc(C)ccc1C)N(C)C ZINC001401138184 1161881061 /nfs/dbraw/zinc/88/10/61/1161881061.db2.gz JKFLHNSOFAYKCQ-QAPCUYQASA-N 1 3 319.493 2.486 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC1CCCC1 ZINC001401607531 1162044096 /nfs/dbraw/zinc/04/40/96/1162044096.db2.gz JCKHWLTYXXIDTM-DLBZAZTESA-N 1 3 309.498 2.391 20 0 DEADHO Cc1cc(F)ccc1CN(C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001401815222 1162143135 /nfs/dbraw/zinc/14/31/35/1162143135.db2.gz ZQGHULMTZGQTRH-HOCLYGCPSA-N 1 3 321.440 2.022 20 0 DEADHO Cc1cc(F)ccc1CN(C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401815222 1162143138 /nfs/dbraw/zinc/14/31/38/1162143138.db2.gz ZQGHULMTZGQTRH-HOCLYGCPSA-N 1 3 321.440 2.022 20 0 DEADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCN(C)CCc1cccs1 ZINC001403784983 1163182313 /nfs/dbraw/zinc/18/23/13/1163182313.db2.gz LKTZDOACWHNLNQ-HUUCEWRRSA-N 1 3 323.506 2.211 20 0 DEADHO C[C@H](NCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccccc1F ZINC001404306307 1163572205 /nfs/dbraw/zinc/57/22/05/1163572205.db2.gz AGLJRTGTHUKMBF-CABCVRRESA-N 1 3 321.440 2.277 20 0 DEADHO C[C@H](NCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)c1ccccc1F ZINC001404306307 1163572212 /nfs/dbraw/zinc/57/22/12/1163572212.db2.gz AGLJRTGTHUKMBF-CABCVRRESA-N 1 3 321.440 2.277 20 0 DEADHO C[C@@H]([NH2+]CCN(C)C(=O)CN(C)C1CCC1)c1ccc(F)cc1 ZINC001404306150 1163573479 /nfs/dbraw/zinc/57/34/79/1163573479.db2.gz CXVHQYUXJRYVRJ-CQSZACIVSA-N 1 3 321.440 2.419 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@@H](C)[NH2+]C[C@H](F)CC)CC1 ZINC001404413178 1163622116 /nfs/dbraw/zinc/62/21/16/1163622116.db2.gz VMKTXVKWNJWOCH-GDBMZVCRSA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@@H](C(=O)NCC1C[NH+](Cc2c(C)cccc2C)C1)N(C)C ZINC001404900645 1163851765 /nfs/dbraw/zinc/85/17/65/1163851765.db2.gz CJTAOIRGRUIJAT-SFHVURJKSA-N 1 3 317.477 2.192 20 0 DEADHO C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2CN3CCCC(C)(C)C)C1 ZINC001404979758 1163880072 /nfs/dbraw/zinc/88/00/72/1163880072.db2.gz MWIXXXIQQJXZFS-IKGGRYGDSA-N 1 3 321.509 2.440 20 0 DEADHO C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2CN3CCCC(C)(C)C)C1 ZINC001404979758 1163880077 /nfs/dbraw/zinc/88/00/77/1163880077.db2.gz MWIXXXIQQJXZFS-IKGGRYGDSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1cc(C)ccc1F ZINC001405373428 1164068091 /nfs/dbraw/zinc/06/80/91/1164068091.db2.gz PQJVYFPFFWYXOJ-INIZCTEOSA-N 1 3 323.456 2.459 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001405700376 1164193141 /nfs/dbraw/zinc/19/31/41/1164193141.db2.gz OLZVZPQICSQBGS-DOTOQJQBSA-N 1 3 323.525 2.495 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)CN(C)C(C)C)cc1C ZINC001405720741 1164204091 /nfs/dbraw/zinc/20/40/91/1164204091.db2.gz SDWFZMMTHGXNKY-OAHLLOKOSA-N 1 3 319.493 2.486 20 0 DEADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C)cc1 ZINC001405902835 1164324639 /nfs/dbraw/zinc/32/46/39/1164324639.db2.gz QOJYJLOMJIXUKF-MRXNPFEDSA-N 1 3 305.466 2.273 20 0 DEADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1NC/C(Cl)=C/Cl ZINC001406000187 1164379962 /nfs/dbraw/zinc/37/99/62/1164379962.db2.gz QVCDYDOYZHWFRG-GROCXKSISA-N 1 3 322.280 2.084 20 0 DEADHO CC[C@H](C(=O)NC[C@H]([NH2+]Cc1ccsc1)C(C)C)N(C)C ZINC001406035832 1164401805 /nfs/dbraw/zinc/40/18/05/1164401805.db2.gz JUTOUOYXQHTVRB-LSDHHAIUSA-N 1 3 311.495 2.319 20 0 DEADHO C[C@H](CNCc1sccc1Cl)NC(=O)CCC[NH+](C)C ZINC001406382758 1164561580 /nfs/dbraw/zinc/56/15/80/1164561580.db2.gz CLCKMPGJFMXRDP-LLVKDONJSA-N 1 3 317.886 2.338 20 0 DEADHO C[C@H](C(=O)N[C@@H](C)CNCc1cncs1)[NH+]1CCCCCC1 ZINC001406531759 1164660217 /nfs/dbraw/zinc/66/02/17/1164660217.db2.gz IXEXPNOOHVLTLD-UONOGXRCSA-N 1 3 324.494 2.002 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1CCC1)C1CC1 ZINC001406757820 1164820014 /nfs/dbraw/zinc/82/00/14/1164820014.db2.gz JIIMBQGHAXRNFG-DLBZAZTESA-N 1 3 307.482 2.144 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCC1)N1CCCC1 ZINC001406835939 1164846314 /nfs/dbraw/zinc/84/63/14/1164846314.db2.gz GXZLRLDTKOMTTC-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CC[N@H+]1CC1CCCC1)N1CCCC1 ZINC001406835939 1164846316 /nfs/dbraw/zinc/84/63/16/1164846316.db2.gz GXZLRLDTKOMTTC-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC001407028080 1164931984 /nfs/dbraw/zinc/93/19/84/1164931984.db2.gz YXVDZIWGJFZKNE-SFHVURJKSA-N 1 3 307.482 2.053 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC001407028080 1164931993 /nfs/dbraw/zinc/93/19/93/1164931993.db2.gz YXVDZIWGJFZKNE-SFHVURJKSA-N 1 3 307.482 2.053 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]C[C@@H](F)CC)N(C)C ZINC001407757457 1165290406 /nfs/dbraw/zinc/29/04/06/1165290406.db2.gz ZXTJPLXXCAHSAE-RRFJBIMHSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)[C@H](C(=O)NCC1([NH2+]Cc2ccccc2)CCC1)N(C)C ZINC001407797967 1165316785 /nfs/dbraw/zinc/31/67/85/1165316785.db2.gz KWKIDCOXANJDTR-QGZVFWFLSA-N 1 3 317.477 2.401 20 0 DEADHO CC[C@@H](F)C[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001408012646 1165433022 /nfs/dbraw/zinc/43/30/22/1165433022.db2.gz WJISWOYAAQKDGE-HUUCEWRRSA-N 1 3 313.461 2.190 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)cc1 ZINC001408083342 1165468565 /nfs/dbraw/zinc/46/85/65/1165468565.db2.gz MYANRIISINYMDV-AEFFLSMTSA-N 1 3 317.477 2.272 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1)N(C)C ZINC001417800932 1167222642 /nfs/dbraw/zinc/22/26/42/1167222642.db2.gz JFGQXCXTVOGUGI-BZUAXINKSA-N 1 3 323.506 2.319 20 0 DEADHO O=C(CCC[NH+]1CCCC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001417954280 1167324592 /nfs/dbraw/zinc/32/45/92/1167324592.db2.gz OQYPDQXDJOJQTH-GOSISDBHSA-N 1 3 315.461 2.253 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC12CC[NH+](C[C@@H](F)CC)CC2 ZINC001417957286 1167327077 /nfs/dbraw/zinc/32/70/77/1167327077.db2.gz ROZQEVJQHXITAQ-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO CN(CC(=O)N1CC[C@H]([NH2+]CC2CCCC2)C1)CC(C)(C)C ZINC001418042836 1167378522 /nfs/dbraw/zinc/37/85/22/1167378522.db2.gz PDFZGQLBOVDBML-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001418046030 1167380268 /nfs/dbraw/zinc/38/02/68/1167380268.db2.gz RJNFWJRNTJUSIZ-SFHVURJKSA-N 1 3 317.477 2.336 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001418074044 1167396977 /nfs/dbraw/zinc/39/69/77/1167396977.db2.gz SQMNEUIQSUAVBU-YHUYYLMFSA-N 1 3 313.461 2.234 20 0 DEADHO C[C@@H]([NH2+][C@@H](C)CNC(=O)CN(C)C1CCC1)c1ccc(F)cc1 ZINC001418232329 1167507153 /nfs/dbraw/zinc/50/71/53/1167507153.db2.gz DEURKTCZIAUHHE-UONOGXRCSA-N 1 3 321.440 2.465 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]([N@H+](C)CC2CC(C)C2)C1 ZINC001418373279 1167605551 /nfs/dbraw/zinc/60/55/51/1167605551.db2.gz FKFCGRHGVMAARW-JCYILVPMSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]([N@@H+](C)CC2CC(C)C2)C1 ZINC001418373279 1167605560 /nfs/dbraw/zinc/60/55/60/1167605560.db2.gz FKFCGRHGVMAARW-JCYILVPMSA-N 1 3 309.498 2.296 20 0 DEADHO CN(CCNC(=O)C(C)(C)[NH+]1CCCC1)CCc1cccs1 ZINC001418485612 1167694018 /nfs/dbraw/zinc/69/40/18/1167694018.db2.gz BNQOUTWKHQWHSO-UHFFFAOYSA-N 1 3 323.506 2.213 20 0 DEADHO C[C@@H](c1cccc(F)c1)N(C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001418497267 1167720139 /nfs/dbraw/zinc/72/01/39/1167720139.db2.gz YKWNINPRJFQWOI-GJZGRUSLSA-N 1 3 321.440 2.277 20 0 DEADHO C[C@@H](c1cccc(F)c1)N(C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001418497267 1167720149 /nfs/dbraw/zinc/72/01/49/1167720149.db2.gz YKWNINPRJFQWOI-GJZGRUSLSA-N 1 3 321.440 2.277 20 0 DEADHO CC[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001418619386 1167847121 /nfs/dbraw/zinc/84/71/21/1167847121.db2.gz TUBAGRZEVFCKRK-NCOADZHNSA-N 1 3 309.498 2.390 20 0 DEADHO CCCN(C)CC(=O)N1CCCCC[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001418778168 1167956243 /nfs/dbraw/zinc/95/62/43/1167956243.db2.gz XMMJJRGOJXLZQZ-CVEARBPZSA-N 1 3 315.477 2.437 20 0 DEADHO CC[C@H](C(=O)N1CCC([C@H](C)[NH2+]C/C=C/Cl)CC1)N(C)C ZINC001418843546 1168004723 /nfs/dbraw/zinc/00/47/23/1168004723.db2.gz JAYPWDSFGFPKSK-PXRVVVIRSA-N 1 3 315.889 2.296 20 0 DEADHO CC[C@H](C)C[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001418935081 1168078265 /nfs/dbraw/zinc/07/82/65/1168078265.db2.gz XVACBAFNZGERFV-HOTGVXAUSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C)C[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001418935081 1168078271 /nfs/dbraw/zinc/07/82/71/1168078271.db2.gz XVACBAFNZGERFV-HOTGVXAUSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H](C(=O)NCC1C[NH+](CC2CCC2)C1)N1CCCCCC1 ZINC001419031009 1168146554 /nfs/dbraw/zinc/14/65/54/1168146554.db2.gz GOVSSSLWJFUCRF-OAHLLOKOSA-N 1 3 307.482 2.099 20 0 DEADHO Cc1cc(C)c(CN2CC(CNC(=O)CC[NH+](C)C)C2)c(C)c1 ZINC001419034794 1168148779 /nfs/dbraw/zinc/14/87/79/1168148779.db2.gz ZASSLWUBCKZQTQ-UHFFFAOYSA-N 1 3 317.477 2.112 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1)N(C)C ZINC001419179881 1168296887 /nfs/dbraw/zinc/29/68/87/1168296887.db2.gz MRQJUZOGKRLDJC-SJORKVTESA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1)N(C)C ZINC001419179881 1168296890 /nfs/dbraw/zinc/29/68/90/1168296890.db2.gz MRQJUZOGKRLDJC-SJORKVTESA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]C[C@@H](F)CC ZINC001419224378 1168327192 /nfs/dbraw/zinc/32/71/92/1168327192.db2.gz PCDXJMPLIVAVFE-UONOGXRCSA-N 1 3 301.450 2.093 20 0 DEADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1cccc(F)c1 ZINC001419276782 1168367194 /nfs/dbraw/zinc/36/71/94/1168367194.db2.gz VPSUOXNSKWHNKM-INIZCTEOSA-N 1 3 309.429 2.150 20 0 DEADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001419274754 1168367300 /nfs/dbraw/zinc/36/73/00/1168367300.db2.gz RGCMMISGLZZGGH-KBPBESRZSA-N 1 3 319.440 2.246 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H](C[N@H+](C)CC[C@@H](C)F)C1 ZINC001419353149 1168418100 /nfs/dbraw/zinc/41/81/00/1168418100.db2.gz YKPGEQLWVOODIQ-CVEARBPZSA-N 1 3 315.477 2.247 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H](C[N@@H+](C)CC[C@@H](C)F)C1 ZINC001419353149 1168418105 /nfs/dbraw/zinc/41/81/05/1168418105.db2.gz YKPGEQLWVOODIQ-CVEARBPZSA-N 1 3 315.477 2.247 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC1CC[NH+](CCCF)CC1)N(C)C ZINC001419402435 1168447626 /nfs/dbraw/zinc/44/76/26/1168447626.db2.gz AKDAXZSETWPIAJ-INIZCTEOSA-N 1 3 315.477 2.151 20 0 DEADHO CC(C)C[NH+]1CCC(CCNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001419418928 1168459859 /nfs/dbraw/zinc/45/98/59/1168459859.db2.gz VTAXKKOGSUATKI-KRWDZBQOSA-N 1 3 311.514 2.447 20 0 DEADHO C[C@H](C[NH2+]CC1CC2(CCC2)C1)N(C)C(=O)CN1CCCC1 ZINC001419747776 1168831231 /nfs/dbraw/zinc/83/12/31/1168831231.db2.gz OYNIBQGCDXAMBP-OAHLLOKOSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccccc1 ZINC001419880184 1168888620 /nfs/dbraw/zinc/88/86/20/1168888620.db2.gz RHZLXWICCVBOKM-SFHVURJKSA-N 1 3 317.477 2.401 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[N@H+](C)CCc1ccc(C)cc1)N(C)C ZINC001420009053 1169055926 /nfs/dbraw/zinc/05/59/26/1169055926.db2.gz HSFNBNYTGDQCEJ-SFHVURJKSA-N 1 3 319.493 2.268 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)CCc1ccc(C)cc1)N(C)C ZINC001420009053 1169055940 /nfs/dbraw/zinc/05/59/40/1169055940.db2.gz HSFNBNYTGDQCEJ-SFHVURJKSA-N 1 3 319.493 2.268 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[N@H+](CCC3CCCC3)C2)C1 ZINC001420551895 1169782228 /nfs/dbraw/zinc/78/22/28/1169782228.db2.gz VIUVWCXOATVDDU-FUHWJXTLSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001420551895 1169782237 /nfs/dbraw/zinc/78/22/37/1169782237.db2.gz VIUVWCXOATVDDU-FUHWJXTLSA-N 1 3 321.509 2.347 20 0 DEADHO CC[NH2+][C@H](CNC(=O)[C@@H]1CCCN1C(C)C)c1ccccc1 ZINC001420758738 1171119887 /nfs/dbraw/zinc/11/98/87/1171119887.db2.gz FOXNGFBGXRXRKV-SJORKVTESA-N 1 3 303.450 2.326 20 0 DEADHO C[C@H](C(=O)N[C@@H](C[NH2+]CC1CC1)C1CC1)N1CCCCCC1 ZINC001420775578 1171143788 /nfs/dbraw/zinc/14/37/88/1171143788.db2.gz XYFGLZDGKIGFHM-PBHICJAKSA-N 1 3 307.482 2.145 20 0 DEADHO CCCN(C(=O)[C@H](F)CN(CC)CC)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001420804554 1171181558 /nfs/dbraw/zinc/18/15/58/1171181558.db2.gz NEUQMDHRSIHMHS-HZPDHXFCSA-N 1 3 315.477 2.388 20 0 DEADHO CCCN(C(=O)[C@H](F)CN(CC)CC)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001420804554 1171181566 /nfs/dbraw/zinc/18/15/66/1171181566.db2.gz NEUQMDHRSIHMHS-HZPDHXFCSA-N 1 3 315.477 2.388 20 0 DEADHO Cc1ccc(C[NH2+]C2(CNC(=O)CN(C)C(C)C)CC2)cc1F ZINC001421007207 1171424916 /nfs/dbraw/zinc/42/49/16/1171424916.db2.gz WNJWVJAXYHXJHE-UHFFFAOYSA-N 1 3 321.440 2.213 20 0 DEADHO CCC(CC)C[NH2+]C[C@@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001421130407 1171517995 /nfs/dbraw/zinc/51/79/95/1171517995.db2.gz QMLJFCVQMQZEPA-WBVHZDCISA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[C@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001421130227 1171518061 /nfs/dbraw/zinc/51/80/61/1171518061.db2.gz YHLKJEOYOKWDOC-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccccc1C ZINC001421425743 1171791949 /nfs/dbraw/zinc/79/19/49/1171791949.db2.gz QAJUDDCJNJICRS-KRWDZBQOSA-N 1 3 317.477 2.464 20 0 DEADHO CN(CC(=O)NC1(C[NH2+]CC2CC2)CCCC1)CC(C)(C)C ZINC001421511142 1171827526 /nfs/dbraw/zinc/82/75/26/1171827526.db2.gz HTCNVZUYRPTXCO-UHFFFAOYSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC001421545725 1171841743 /nfs/dbraw/zinc/84/17/43/1171841743.db2.gz BICOZKCEPYDHSX-HOCLYGCPSA-N 1 3 323.506 2.272 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCC1 ZINC001421735166 1171946194 /nfs/dbraw/zinc/94/61/94/1171946194.db2.gz GBQRSSOGPZUFRP-WBVHZDCISA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CCCN(C/C=C\Cl)CC1)[NH+](C)C ZINC001421838931 1172033663 /nfs/dbraw/zinc/03/36/63/1172033663.db2.gz YEKFLOLDUPSNMB-MYEIUBSTSA-N 1 3 315.889 2.296 20 0 DEADHO Cc1cccc(C)c1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001421867877 1172067936 /nfs/dbraw/zinc/06/79/36/1172067936.db2.gz FEVIIJWBNKWYKA-WMZOPIPTSA-N 1 3 317.477 2.334 20 0 DEADHO C[C@H](F)CC[NH2+]C1(C)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001422047049 1172254262 /nfs/dbraw/zinc/25/42/62/1172254262.db2.gz ZXAHYIOPQXUPQL-AWEZNQCLSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](CC[C@H](C)F)CC1(C)C ZINC001422096736 1172300969 /nfs/dbraw/zinc/30/09/69/1172300969.db2.gz WVEUCERPTLLERY-LSDHHAIUSA-N 1 3 315.477 2.291 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](CC[C@H](C)F)CC1(C)C ZINC001422096736 1172300977 /nfs/dbraw/zinc/30/09/77/1172300977.db2.gz WVEUCERPTLLERY-LSDHHAIUSA-N 1 3 315.477 2.291 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)C2(N(C)C)CCC2)cc1 ZINC001422150540 1172348813 /nfs/dbraw/zinc/34/88/13/1172348813.db2.gz CYFVWOPLEBZUFX-INIZCTEOSA-N 1 3 317.477 2.464 20 0 DEADHO CN(CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CCC3)C[C@H]21)CC(C)(C)C ZINC001422837387 1172881201 /nfs/dbraw/zinc/88/12/01/1172881201.db2.gz ZPRYVTFDZPVAGQ-OSYLJGHBSA-N 1 3 321.509 2.058 20 0 DEADHO CN(CC(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CCC3)C[C@H]21)CC(C)(C)C ZINC001422837387 1172881204 /nfs/dbraw/zinc/88/12/04/1172881204.db2.gz ZPRYVTFDZPVAGQ-OSYLJGHBSA-N 1 3 321.509 2.058 20 0 DEADHO Cc1cc(CN(C)C[C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)cs1 ZINC001422878584 1172894109 /nfs/dbraw/zinc/89/41/09/1172894109.db2.gz PMMQXZRHJOQTDJ-UONOGXRCSA-N 1 3 323.506 2.335 20 0 DEADHO Cc1cc(CN(C)C[C@@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)cs1 ZINC001422878584 1172894111 /nfs/dbraw/zinc/89/41/11/1172894111.db2.gz PMMQXZRHJOQTDJ-UONOGXRCSA-N 1 3 323.506 2.335 20 0 DEADHO CC[NH+]1CCC(CN2CCN(Cc3csc(C)n3)CC2)CC1 ZINC001423046027 1173041090 /nfs/dbraw/zinc/04/10/90/1173041090.db2.gz ABDNTWGAGXOGIB-UHFFFAOYSA-N 1 3 322.522 2.301 20 0 DEADHO C[NH+](C)CC1(C(=O)NC[C@H]2CCN2CC2CC2)CCCCC1 ZINC001423124887 1173096467 /nfs/dbraw/zinc/09/64/67/1173096467.db2.gz WSFQOTMIGKKBKT-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]Cc2cc(C)sc2C)CC1)N(C)C ZINC001423243960 1173181160 /nfs/dbraw/zinc/18/11/60/1173181160.db2.gz KMXDPOZJAHKMCW-OAHLLOKOSA-N 1 3 323.506 2.444 20 0 DEADHO CCC[N@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001423340709 1173265267 /nfs/dbraw/zinc/26/52/67/1173265267.db2.gz YETQMUTUWSJJFH-MRXNPFEDSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001423340709 1173265283 /nfs/dbraw/zinc/26/52/83/1173265283.db2.gz YETQMUTUWSJJFH-MRXNPFEDSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)N(CC[N@H+](C)CC1CC(C)C1)C(=O)Cc1c[nH]cn1 ZINC001423573297 1173419676 /nfs/dbraw/zinc/41/96/76/1173419676.db2.gz KUQDTXUIOQOJPI-UHFFFAOYSA-N 1 3 306.454 2.167 20 0 DEADHO CC(C)N(CC[N@@H+](C)CC1CC(C)C1)C(=O)Cc1c[nH]cn1 ZINC001423573297 1173419678 /nfs/dbraw/zinc/41/96/78/1173419678.db2.gz KUQDTXUIOQOJPI-UHFFFAOYSA-N 1 3 306.454 2.167 20 0 DEADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2cccc(C)c2)C1)N(C)C ZINC001423691179 1173494287 /nfs/dbraw/zinc/49/42/87/1173494287.db2.gz BXQMGXZZXMDHFV-ABHNRTSZSA-N 1 3 317.477 2.414 20 0 DEADHO CC[N@H+](C)CCC(=O)NCC1(NCc2ccsc2)CCC1 ZINC001424202230 1173698253 /nfs/dbraw/zinc/69/82/53/1173698253.db2.gz MMCVIPRTCWSOPI-UHFFFAOYSA-N 1 3 309.479 2.218 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCC1(NCc2ccsc2)CCC1 ZINC001424202230 1173698254 /nfs/dbraw/zinc/69/82/54/1173698254.db2.gz MMCVIPRTCWSOPI-UHFFFAOYSA-N 1 3 309.479 2.218 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)CCC[N@H+](C)CC[C@@H](C)F ZINC001424338961 1173765843 /nfs/dbraw/zinc/76/58/43/1173765843.db2.gz IBDGQBHEYPAGCE-CVEARBPZSA-N 1 3 315.477 2.389 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)CCC[N@@H+](C)CC[C@@H](C)F ZINC001424338961 1173765846 /nfs/dbraw/zinc/76/58/46/1173765846.db2.gz IBDGQBHEYPAGCE-CVEARBPZSA-N 1 3 315.477 2.389 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC2(CC1)CC[NH+](C(C)C)CC2 ZINC001424626708 1173851336 /nfs/dbraw/zinc/85/13/36/1173851336.db2.gz JLKQCTGBJUVVND-UHFFFAOYSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)Cc1ccc(Cl)cc1 ZINC001425066405 1174160742 /nfs/dbraw/zinc/16/07/42/1174160742.db2.gz HDVWFFBGQJHJSO-DZGCQCFKSA-N 1 3 323.868 2.228 20 0 DEADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)Cc1ccc(Cl)cc1 ZINC001425066405 1174160750 /nfs/dbraw/zinc/16/07/50/1174160750.db2.gz HDVWFFBGQJHJSO-DZGCQCFKSA-N 1 3 323.868 2.228 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)C1C[NH+](CC2CC(C)(C)C2)C1)N(C)C ZINC001425244870 1174256217 /nfs/dbraw/zinc/25/62/17/1174256217.db2.gz BJMUZQBLJKRAPT-RHSMWYFYSA-N 1 3 323.525 2.445 20 0 DEADHO C[C@@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)NC/C=C/Cl ZINC001425596131 1174390942 /nfs/dbraw/zinc/39/09/42/1174390942.db2.gz NUGCQKUTMVTHOV-GPAKFWEMSA-N 1 3 313.873 2.051 20 0 DEADHO C[C@@H](CN(C)C(=O)CCC[NH+](C)C)NCc1ccccc1F ZINC001425621878 1174410272 /nfs/dbraw/zinc/41/02/72/1174410272.db2.gz CGIXOCZVJYZMBZ-AWEZNQCLSA-N 1 3 309.429 2.104 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)cc2)C[C@@H]1C ZINC001425896099 1174503715 /nfs/dbraw/zinc/50/37/15/1174503715.db2.gz UCJIJWWXCMGMKP-YOEHRIQHSA-N 1 3 321.440 2.245 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001427989683 1175214372 /nfs/dbraw/zinc/21/43/72/1175214372.db2.gz IQEGHPQTLPUUMY-IRXDYDNUSA-N 1 3 322.497 2.177 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001427989683 1175214374 /nfs/dbraw/zinc/21/43/74/1175214374.db2.gz IQEGHPQTLPUUMY-IRXDYDNUSA-N 1 3 322.497 2.177 20 0 DEADHO CC(C)[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCN1 ZINC001434435729 1178543020 /nfs/dbraw/zinc/54/30/20/1178543020.db2.gz APZXAWJHBBJGCF-BZSNNMDCSA-N 1 3 315.461 2.136 20 0 DEADHO CC(C)[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CCN1 ZINC001434435729 1178543040 /nfs/dbraw/zinc/54/30/40/1178543040.db2.gz APZXAWJHBBJGCF-BZSNNMDCSA-N 1 3 315.461 2.136 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+]CCc2ccns2)CC1 ZINC001434535653 1178800411 /nfs/dbraw/zinc/80/04/11/1178800411.db2.gz ZZNRHNIUILSQFJ-UHFFFAOYSA-N 1 3 309.479 2.309 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CC2)C1 ZINC001436370170 1179066561 /nfs/dbraw/zinc/06/65/61/1179066561.db2.gz VWBFTJXDDRIZBA-NXNVCVFFSA-N 1 3 307.482 2.144 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1)N(C)C ZINC001436975296 1179326294 /nfs/dbraw/zinc/32/62/94/1179326294.db2.gz JUIJNEDJVSDSFT-KKBVYLPWSA-N 1 3 321.440 2.464 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN(C)C(C)C)C2)cc1C ZINC001436979269 1179327262 /nfs/dbraw/zinc/32/72/62/1179327262.db2.gz RGEYQEKWAMQOOD-HDICACEKSA-N 1 3 317.477 2.380 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2F ZINC001437264057 1179676031 /nfs/dbraw/zinc/67/60/31/1179676031.db2.gz UTADVDZZXNBDRV-CXAGYDPISA-N 1 3 321.440 2.248 20 0 DEADHO CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccc(C2CC2)cc1 ZINC001437559717 1179846223 /nfs/dbraw/zinc/84/62/23/1179846223.db2.gz MZNHRZXLZBAVMB-SFHVURJKSA-N 1 3 315.461 2.064 20 0 DEADHO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccc(C2CC2)cc1 ZINC001437559717 1179846225 /nfs/dbraw/zinc/84/62/25/1179846225.db2.gz MZNHRZXLZBAVMB-SFHVURJKSA-N 1 3 315.461 2.064 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+]C/C=C\Cl)CC1 ZINC001438443191 1180432893 /nfs/dbraw/zinc/43/28/93/1180432893.db2.gz ITIOYLHLFYDBIN-KZCPSHQTSA-N 1 3 301.862 2.098 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN[C@@H](C)c1ccccc1F ZINC001439263646 1180976449 /nfs/dbraw/zinc/97/64/49/1180976449.db2.gz AKYSWUMYQQFNON-KBPBESRZSA-N 1 3 309.429 2.323 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN[C@@H](C)c1ccccc1F ZINC001439263646 1180976460 /nfs/dbraw/zinc/97/64/60/1180976460.db2.gz AKYSWUMYQQFNON-KBPBESRZSA-N 1 3 309.429 2.323 20 0 DEADHO C[C@@H](CN(C)Cc1ccc(F)cc1)NC(=O)C1CC[NH+](C)CC1 ZINC001439361486 1181043979 /nfs/dbraw/zinc/04/39/79/1181043979.db2.gz HROFXMMSQCVXOT-AWEZNQCLSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@@H](NC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1)c1cccc(F)c1 ZINC001439666890 1181192867 /nfs/dbraw/zinc/19/28/67/1181192867.db2.gz IWWIVSGZJBZOKI-UKRRQHHQSA-N 1 3 319.424 2.077 20 0 DEADHO C[C@@H](NC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)c1cccc(F)c1 ZINC001439666890 1181192869 /nfs/dbraw/zinc/19/28/69/1181192869.db2.gz IWWIVSGZJBZOKI-UKRRQHHQSA-N 1 3 319.424 2.077 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN1CC[C@@H](C)C1 ZINC001440423220 1181504298 /nfs/dbraw/zinc/50/42/98/1181504298.db2.gz UDBTWDYLGKBURX-ZACQAIPSSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC[N@H+](CCC2CC2)[C@@H]1C)N(CC)CC ZINC001440499494 1181562962 /nfs/dbraw/zinc/56/29/62/1181562962.db2.gz TWMPNACBCVVPCV-HYVNUMGLSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC[N@@H+](CCC2CC2)[C@@H]1C)N(CC)CC ZINC001440499494 1181562965 /nfs/dbraw/zinc/56/29/65/1181562965.db2.gz TWMPNACBCVVPCV-HYVNUMGLSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC001440750128 1181674697 /nfs/dbraw/zinc/67/46/97/1181674697.db2.gz PKUJSHBEKFSKSY-IAGOWNOFSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC001440750128 1181674703 /nfs/dbraw/zinc/67/47/03/1181674703.db2.gz PKUJSHBEKFSKSY-IAGOWNOFSA-N 1 3 309.498 2.296 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H](C)[NH2+]CCc1cccs1 ZINC001440801638 1181700437 /nfs/dbraw/zinc/70/04/37/1181700437.db2.gz TZIQFGHYGIMQDM-ZIAGYGMSSA-N 1 3 323.506 2.258 20 0 DEADHO Cc1cccc(CN(C)[C@@H](C)CNC(=O)CCC[NH+](C)C)c1 ZINC001440960117 1181800227 /nfs/dbraw/zinc/80/02/27/1181800227.db2.gz QGCQKDLAKPSASQ-INIZCTEOSA-N 1 3 305.466 2.273 20 0 DEADHO C[C@H](CNC(=O)CC[NH+](C)C)N(C)[C@H](C)c1ccc(F)cc1 ZINC001440964393 1181802038 /nfs/dbraw/zinc/80/20/38/1181802038.db2.gz ULJJCBVJKFEZEZ-ZIAGYGMSSA-N 1 3 309.429 2.275 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[N@H+](C)[C@H]1CCc2ccccc21 ZINC001440997829 1181819870 /nfs/dbraw/zinc/81/98/70/1181819870.db2.gz KGEUPIWLOJFYPH-QAPCUYQASA-N 1 3 317.477 2.452 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001440997829 1181819873 /nfs/dbraw/zinc/81/98/73/1181819873.db2.gz KGEUPIWLOJFYPH-QAPCUYQASA-N 1 3 317.477 2.452 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001441361153 1181956698 /nfs/dbraw/zinc/95/66/98/1181956698.db2.gz VEASGJKRNAYYBJ-SFHVURJKSA-N 1 3 317.477 2.336 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN(C)C(C)C)C2)cc1F ZINC001441547657 1182052785 /nfs/dbraw/zinc/05/27/85/1182052785.db2.gz KANBQDQLYKSXAS-IYBDPMFKSA-N 1 3 321.440 2.211 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+](CC2CCC2)C1)N(C)C ZINC001441576184 1182068256 /nfs/dbraw/zinc/06/82/56/1182068256.db2.gz DIEDOZWCHCZRLK-IAGOWNOFSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+](CC2CCC2)C1)N(C)C ZINC001441576184 1182068265 /nfs/dbraw/zinc/06/82/65/1182068265.db2.gz DIEDOZWCHCZRLK-IAGOWNOFSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001441597024 1182082374 /nfs/dbraw/zinc/08/23/74/1182082374.db2.gz XIJUYPJMQHXENS-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H](NC/C(Cl)=C/Cl)C1 ZINC001442181139 1182355624 /nfs/dbraw/zinc/35/56/24/1182355624.db2.gz CCWKEMMAMHKROA-BFMCYROOSA-N 1 3 322.280 2.274 20 0 DEADHO CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2csc(C)c2)C1)N(C)C ZINC001442255018 1182391633 /nfs/dbraw/zinc/39/16/33/1182391633.db2.gz ACTMQQQMDFKVQE-UYSNPLJNSA-N 1 3 323.506 2.476 20 0 DEADHO CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001442874239 1182759632 /nfs/dbraw/zinc/75/96/32/1182759632.db2.gz AOPWWWPMSZSKLG-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO CCCC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001442874239 1182759645 /nfs/dbraw/zinc/75/96/45/1182759645.db2.gz AOPWWWPMSZSKLG-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)(C(=O)NCC[C@H]1CC[N@H+](CC2CC2)C1)N1CCCCC1 ZINC001443218053 1182884487 /nfs/dbraw/zinc/88/44/87/1182884487.db2.gz JTBVHMBGFGNQMJ-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)(C(=O)NCC[C@H]1CC[N@@H+](CC2CC2)C1)N1CCCCC1 ZINC001443218053 1182884488 /nfs/dbraw/zinc/88/44/88/1182884488.db2.gz JTBVHMBGFGNQMJ-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CN(C)C1(C(=O)NCC[C@H]2CC[N@H+](C/C=C/Cl)C2)CCC1 ZINC001443258486 1182895447 /nfs/dbraw/zinc/89/54/47/1182895447.db2.gz YKDZQBOCHUZQMW-MDDUGHTDSA-N 1 3 313.873 2.051 20 0 DEADHO CN(C)C1(C(=O)NCC[C@H]2CC[N@@H+](C/C=C/Cl)C2)CCC1 ZINC001443258486 1182895449 /nfs/dbraw/zinc/89/54/49/1182895449.db2.gz YKDZQBOCHUZQMW-MDDUGHTDSA-N 1 3 313.873 2.051 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC2C[NH+](CCCC3CCCC3)C2)C1 ZINC001443618865 1183055815 /nfs/dbraw/zinc/05/58/15/1183055815.db2.gz XSKSTTVWWYYSIS-INIZCTEOSA-N 1 3 321.509 2.347 20 0 DEADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+]CC1CC2(CCC2)C1 ZINC001444030823 1183265093 /nfs/dbraw/zinc/26/50/93/1183265093.db2.gz HKLHTEMENVJRAO-MRXNPFEDSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1cc(C[NH2+]C[C@H](C)CNC(=O)CN(C)C(C)C)cs1 ZINC001444456737 1183396442 /nfs/dbraw/zinc/39/64/42/1183396442.db2.gz YRRZIVVOQRFVIF-ZDUSSCGKSA-N 1 3 311.495 2.239 20 0 DEADHO Cc1cccc(C)c1C[NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1 ZINC001444734777 1183535358 /nfs/dbraw/zinc/53/53/58/1183535358.db2.gz UDJYFIMUJFWDAI-KRWDZBQOSA-N 1 3 317.477 2.336 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC2CCC2)C1 ZINC001445127766 1183788188 /nfs/dbraw/zinc/78/81/88/1183788188.db2.gz LFKVUMSQOXBTTR-IAGOWNOFSA-N 1 3 307.482 2.051 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC2CCC2)C1 ZINC001445127766 1183788193 /nfs/dbraw/zinc/78/81/93/1183788193.db2.gz LFKVUMSQOXBTTR-IAGOWNOFSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCCc2ccccc21)N(C)C ZINC001445603242 1183929919 /nfs/dbraw/zinc/92/99/19/1183929919.db2.gz COQQDGSGWJENID-QGTPRVQTSA-N 1 3 317.477 2.499 20 0 DEADHO C[C@@H](C[NH2+]CC1CCC1)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001445607001 1183931932 /nfs/dbraw/zinc/93/19/32/1183931932.db2.gz UUBNSLBONJDYEM-GUYCJALGSA-N 1 3 313.461 2.093 20 0 DEADHO C[C@H](c1ccc(F)cc1)N(C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001445804467 1184063618 /nfs/dbraw/zinc/06/36/18/1184063618.db2.gz WNVCVMOXXPRYAW-UONOGXRCSA-N 1 3 309.429 2.275 20 0 DEADHO C[C@@H]([NH2+]CCC1CC1)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001446937217 1184583764 /nfs/dbraw/zinc/58/37/64/1184583764.db2.gz GQLWNYUBQNJYLP-GDBMZVCRSA-N 1 3 307.482 2.097 20 0 DEADHO CN(CC(=O)N[C@H]1CCC[N@H+](CC2CC2)CC1)CC(C)(C)C ZINC001447299085 1184709325 /nfs/dbraw/zinc/70/93/25/1184709325.db2.gz MXATWHRWDZYYOZ-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CN(CC(=O)N[C@H]1CCC[N@@H+](CC2CC2)CC1)CC(C)(C)C ZINC001447299085 1184709332 /nfs/dbraw/zinc/70/93/32/1184709332.db2.gz MXATWHRWDZYYOZ-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@H+](CCC2CC2)CC1(C)C ZINC001447585351 1184818078 /nfs/dbraw/zinc/81/80/78/1184818078.db2.gz GGELGLAQNIIFAO-INIZCTEOSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@@H+](CCC2CC2)CC1(C)C ZINC001447585351 1184818080 /nfs/dbraw/zinc/81/80/80/1184818080.db2.gz GGELGLAQNIIFAO-INIZCTEOSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](F)C[N@H+](CC)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001447740031 1184854521 /nfs/dbraw/zinc/85/45/21/1184854521.db2.gz OZEREKIXPRSIGP-OAHLLOKOSA-N 1 3 324.444 2.261 20 0 DEADHO CC[C@@H](F)C[N@@H+](CC)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001447740031 1184854526 /nfs/dbraw/zinc/85/45/26/1184854526.db2.gz OZEREKIXPRSIGP-OAHLLOKOSA-N 1 3 324.444 2.261 20 0 DEADHO CC(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001447771282 1184866944 /nfs/dbraw/zinc/86/69/44/1184866944.db2.gz GMQXMIXUQJLQJW-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001447771282 1184866947 /nfs/dbraw/zinc/86/69/47/1184866947.db2.gz GMQXMIXUQJLQJW-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001447771291 1184867057 /nfs/dbraw/zinc/86/70/57/1184867057.db2.gz GMQXMIXUQJLQJW-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001447771291 1184867059 /nfs/dbraw/zinc/86/70/59/1184867059.db2.gz GMQXMIXUQJLQJW-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO Cc1ccccc1C[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001447873488 1184908029 /nfs/dbraw/zinc/90/80/29/1184908029.db2.gz SVXYKTWGZNAUGF-CVEARBPZSA-N 1 3 317.477 2.462 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@H+](C[C@H](C)CC)C2 ZINC001448481851 1185249978 /nfs/dbraw/zinc/24/99/78/1185249978.db2.gz IWJLVJIBOXZFLZ-MRXNPFEDSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@@H+](C[C@H](C)CC)C2 ZINC001448481851 1185249980 /nfs/dbraw/zinc/24/99/80/1185249980.db2.gz IWJLVJIBOXZFLZ-MRXNPFEDSA-N 1 3 309.498 2.299 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]C/C=C/Cl)CN1C(=O)CN1CCC(C)CC1 ZINC001449000606 1185478124 /nfs/dbraw/zinc/47/81/24/1185478124.db2.gz DDKPEIJFYASKMB-STJXIEADSA-N 1 3 313.873 2.050 20 0 DEADHO CC(C)C[NH+]1CCC(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC001449062642 1185513562 /nfs/dbraw/zinc/51/35/62/1185513562.db2.gz HLBFMJHGVQRYFP-SFHVURJKSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1cnc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)c(C[NH3+])c1 ZINC001164733860 720419078 /nfs/dbraw/zinc/41/90/78/720419078.db2.gz QIMYKUCHXVJMMH-QZTJIDSGSA-N 1 3 323.444 2.097 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H]2[C@H](CCN2C/C=C\Cl)C1 ZINC001406186370 1164498600 /nfs/dbraw/zinc/49/86/00/1164498600.db2.gz NWMGXIIQCVULPQ-JFCGUDLGSA-N 1 3 313.873 2.004 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001370521526 1149804448 /nfs/dbraw/zinc/80/44/48/1149804448.db2.gz GALPIGGYUVMUDT-FPCVCCKLSA-N 1 3 313.461 2.234 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001370543865 1149808210 /nfs/dbraw/zinc/80/82/10/1149808210.db2.gz CEGIQZBHJOUEFP-IYARVYRRSA-N 1 3 317.477 2.382 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2C[N@H+](C)CC2CC2)C1 ZINC001089227055 782293418 /nfs/dbraw/zinc/29/34/18/782293418.db2.gz PMLAREOJLWWKKY-RDJZCZTQSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2C[N@@H+](C)CC2CC2)C1 ZINC001089227055 782293423 /nfs/dbraw/zinc/29/34/23/782293423.db2.gz PMLAREOJLWWKKY-RDJZCZTQSA-N 1 3 307.482 2.051 20 0 DEADHO CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249309 782569758 /nfs/dbraw/zinc/56/97/58/782569758.db2.gz GFJPLBAABIGGPQ-OLMNPRSZSA-N 1 3 323.525 2.447 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C[C@@H]1C ZINC000947615380 783190706 /nfs/dbraw/zinc/19/07/06/783190706.db2.gz IDRRYNQCQWGIBV-HOTGVXAUSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C[C@@H]1C ZINC000947615380 783190711 /nfs/dbraw/zinc/19/07/11/783190711.db2.gz IDRRYNQCQWGIBV-HOTGVXAUSA-N 1 3 309.498 2.486 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](C(C)C)CC(C)(C)C1 ZINC001089548069 783198810 /nfs/dbraw/zinc/19/88/10/783198810.db2.gz FTVHPLXWDRJLIY-CQSZACIVSA-N 1 3 306.454 2.276 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](C(C)C)CC(C)(C)C1 ZINC001089548069 783198814 /nfs/dbraw/zinc/19/88/14/783198814.db2.gz FTVHPLXWDRJLIY-CQSZACIVSA-N 1 3 306.454 2.276 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001073033623 790407565 /nfs/dbraw/zinc/40/75/65/790407565.db2.gz QDPRDIMAEIMMSD-KRWDZBQOSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001073033623 790407573 /nfs/dbraw/zinc/40/75/73/790407573.db2.gz QDPRDIMAEIMMSD-KRWDZBQOSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001075344558 776586186 /nfs/dbraw/zinc/58/61/86/776586186.db2.gz PKPTVLXXLCQNRL-SJORKVTESA-N 1 3 309.498 2.201 20 0 DEADHO CCC[NH+]1CCC(NC[C@@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC000724972655 777546724 /nfs/dbraw/zinc/54/67/24/777546724.db2.gz WXHZVSCJTJMXSU-HNNXBMFYSA-N 1 3 311.470 2.460 20 0 DEADHO CC[NH2+][C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1c1ccccc1 ZINC001211625360 777623160 /nfs/dbraw/zinc/62/31/60/777623160.db2.gz BLZXBFQGBQGDNS-DLBZAZTESA-N 1 3 317.477 2.321 20 0 DEADHO CCCC[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001104680482 778017286 /nfs/dbraw/zinc/01/72/86/778017286.db2.gz RDDFNFGDFNXFGC-GVDBMIGSSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1CC[NH2+]CC1CC1 ZINC001104682870 778021650 /nfs/dbraw/zinc/02/16/50/778021650.db2.gz BZNKTQBZJVNPRH-NVXWUHKLSA-N 1 3 321.509 2.203 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC2(C1)CC[N@H+](CCC1CC1)C2 ZINC001073454355 790665837 /nfs/dbraw/zinc/66/58/37/790665837.db2.gz KIMCBQCBDCTPGH-HZPDHXFCSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC2(C1)CC[N@@H+](CCC1CC1)C2 ZINC001073454355 790665841 /nfs/dbraw/zinc/66/58/41/790665841.db2.gz KIMCBQCBDCTPGH-HZPDHXFCSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001075784947 779232407 /nfs/dbraw/zinc/23/24/07/779232407.db2.gz MAMUNPWKFSQBTD-OKZBNKHCSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001075784947 779232411 /nfs/dbraw/zinc/23/24/11/779232411.db2.gz MAMUNPWKFSQBTD-OKZBNKHCSA-N 1 3 321.509 2.438 20 0 DEADHO COC(=O)[C@]1(C)CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168002806 779253611 /nfs/dbraw/zinc/25/36/11/779253611.db2.gz YOWZDDRLPPKKNV-IXEWLPCDSA-N 1 3 306.450 2.277 20 0 DEADHO COC(=O)[C@]1(C)CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168002806 779253614 /nfs/dbraw/zinc/25/36/14/779253614.db2.gz YOWZDDRLPPKKNV-IXEWLPCDSA-N 1 3 306.450 2.277 20 0 DEADHO COC(=O)[C@]1(C)CC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001168002806 779253620 /nfs/dbraw/zinc/25/36/20/779253620.db2.gz YOWZDDRLPPKKNV-IXEWLPCDSA-N 1 3 306.450 2.277 20 0 DEADHO COC(=O)[C@]1(C)CC[N@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001168002806 779253626 /nfs/dbraw/zinc/25/36/26/779253626.db2.gz YOWZDDRLPPKKNV-IXEWLPCDSA-N 1 3 306.450 2.277 20 0 DEADHO C[C@@H]1CC(NC[C@H]2COCCO2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168015180 779341389 /nfs/dbraw/zinc/34/13/89/779341389.db2.gz PJAUZTRDGQPCKX-MDZRGWNJSA-N 1 3 318.461 2.433 20 0 DEADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CC(C)C)[C@H]1CC ZINC001087636421 779388238 /nfs/dbraw/zinc/38/82/38/779388238.db2.gz PNTLRBRKLGYCMF-GVDBMIGSSA-N 1 3 309.498 2.486 20 0 DEADHO CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CC(C)C)[C@H]1CC ZINC001087636421 779388243 /nfs/dbraw/zinc/38/82/43/779388243.db2.gz PNTLRBRKLGYCMF-GVDBMIGSSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H]1CC([N@@H+]2CCNC(=O)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168039739 779574042 /nfs/dbraw/zinc/57/40/42/779574042.db2.gz HXDGVVFYCJVGPM-HOTGVXAUSA-N 1 3 315.461 2.250 20 0 DEADHO C[C@H]1CC([N@H+]2CCNC(=O)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168039739 779574047 /nfs/dbraw/zinc/57/40/47/779574047.db2.gz HXDGVVFYCJVGPM-HOTGVXAUSA-N 1 3 315.461 2.250 20 0 DEADHO CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC001087966439 779577912 /nfs/dbraw/zinc/57/79/12/779577912.db2.gz CNCMTPUOLWLYFW-CVEARBPZSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC001087966439 779577916 /nfs/dbraw/zinc/57/79/16/779577916.db2.gz CNCMTPUOLWLYFW-CVEARBPZSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCC(C)C)CC[C@@H]2C1)N(C)C ZINC001088110290 779707300 /nfs/dbraw/zinc/70/73/00/779707300.db2.gz UOBZKGZVBFPVEV-IKGGRYGDSA-N 1 3 309.498 2.153 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCC(C)C)CC[C@@H]2C1)N(C)C ZINC001088110290 779707302 /nfs/dbraw/zinc/70/73/02/779707302.db2.gz UOBZKGZVBFPVEV-IKGGRYGDSA-N 1 3 309.498 2.153 20 0 DEADHO CN(C)C1(C(=O)N2CCCCC[C@@H]([NH2+]CC3CC3)C2)CCC1 ZINC001088326774 779957907 /nfs/dbraw/zinc/95/79/07/779957907.db2.gz XQDLWRSMEAEGCJ-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)C[NH2+][C@H]1CCCCCN(C(=O)CN(C)C2CCC2)C1 ZINC001088327021 779959409 /nfs/dbraw/zinc/95/94/09/779959409.db2.gz DFCWZZSSWUFRHZ-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CN(CC(=O)N1CCCCC[C@@H]([NH2+]CC2CC2)C1)C1CCC1 ZINC001088327432 779960340 /nfs/dbraw/zinc/96/03/40/779960340.db2.gz NCYJXRFMEBPECW-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CN(CC)CC)C1 ZINC001105442843 780343990 /nfs/dbraw/zinc/34/39/90/780343990.db2.gz PCEDBGAYVDWLHO-IZAXUBKRSA-N 1 3 317.477 2.154 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)[C@H]1C ZINC001088562774 780478337 /nfs/dbraw/zinc/47/83/37/780478337.db2.gz MGQJNMZBNZDMQH-IXDOHACOSA-N 1 3 307.482 2.404 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)[C@H]1C ZINC001088562774 780478342 /nfs/dbraw/zinc/47/83/42/780478342.db2.gz MGQJNMZBNZDMQH-IXDOHACOSA-N 1 3 307.482 2.404 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN[C@H](C)c1ccccc1F ZINC001127082235 781733853 /nfs/dbraw/zinc/73/38/53/781733853.db2.gz MYFVZPVUROUEIL-PBHICJAKSA-N 1 3 321.440 2.465 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN[C@H](C)c1ccccc1F ZINC001127082235 781733860 /nfs/dbraw/zinc/73/38/60/781733860.db2.gz MYFVZPVUROUEIL-PBHICJAKSA-N 1 3 321.440 2.465 20 0 DEADHO CN(C(=O)[C@@H]1CCCN1C)[C@@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000948246155 783391013 /nfs/dbraw/zinc/39/10/13/783391013.db2.gz WJWYLFYPQOYNGT-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO CN(C(=O)[C@@H]1CCCN1C)[C@@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000948246155 783391014 /nfs/dbraw/zinc/39/10/14/783391014.db2.gz WJWYLFYPQOYNGT-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccsc2)[C@H](C)C1 ZINC001106910555 783417957 /nfs/dbraw/zinc/41/79/57/783417957.db2.gz CXJMOABNVXYMER-GDBMZVCRSA-N 1 3 323.506 2.274 20 0 DEADHO CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)N2CCCC2)C1 ZINC001089846740 783497768 /nfs/dbraw/zinc/49/77/68/783497768.db2.gz PLEROKIMOMKQAK-QAETUUGQSA-N 1 3 319.493 2.050 20 0 DEADHO CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)N2CCCC2)C1 ZINC001089846740 783497777 /nfs/dbraw/zinc/49/77/77/783497777.db2.gz PLEROKIMOMKQAK-QAETUUGQSA-N 1 3 319.493 2.050 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1CC1CCC1 ZINC001085686785 783966082 /nfs/dbraw/zinc/96/60/82/783966082.db2.gz BOSNSDVXRDUITE-ROUUACIJSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1CC1CCC1 ZINC001085686785 783966091 /nfs/dbraw/zinc/96/60/91/783966091.db2.gz BOSNSDVXRDUITE-ROUUACIJSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)CN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001085688953 783971065 /nfs/dbraw/zinc/97/10/65/783971065.db2.gz VJOWUELBYOEZRE-IRXDYDNUSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)CN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001085688953 783971070 /nfs/dbraw/zinc/97/10/70/783971070.db2.gz VJOWUELBYOEZRE-IRXDYDNUSA-N 1 3 309.498 2.296 20 0 DEADHO C[C@H]1CC[N@H+](CCCF)C[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000967708435 784098833 /nfs/dbraw/zinc/09/88/33/784098833.db2.gz SDUCMLYWMUAPCO-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H]1CC[N@@H+](CCCF)C[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000967708435 784098837 /nfs/dbraw/zinc/09/88/37/784098837.db2.gz SDUCMLYWMUAPCO-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000967925064 784178125 /nfs/dbraw/zinc/17/81/25/784178125.db2.gz NBFUMINOZYUKKR-IAGOWNOFSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CC[C@@H]1CN(C)C(=O)c1ccccc1C[NH+](C)C ZINC001085987310 784284967 /nfs/dbraw/zinc/28/49/67/784284967.db2.gz ZIPHXSIFVKOFFC-MRXNPFEDSA-N 1 3 303.450 2.305 20 0 DEADHO CC[N@H+](CC1CC1)[C@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001155612185 784573626 /nfs/dbraw/zinc/57/36/26/784573626.db2.gz QHCDINLTLNXHGE-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@@H+](CC1CC1)[C@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001155612185 784573635 /nfs/dbraw/zinc/57/36/35/784573635.db2.gz QHCDINLTLNXHGE-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)C1)N(C)C ZINC000969077302 784715913 /nfs/dbraw/zinc/71/59/13/784715913.db2.gz PFCHWEJOBDILFS-QZTJIDSGSA-N 1 3 317.477 2.334 20 0 DEADHO C[C@H]1C[C@@H](N2CC3(C2)CC[NH+](C)CC3)CN1C(=O)OC(C)(C)C ZINC001168872202 784952615 /nfs/dbraw/zinc/95/26/15/784952615.db2.gz LLIOYWUTOGPBAM-LSDHHAIUSA-N 1 3 323.481 2.412 20 0 DEADHO C[C@@H]1C[C@H](N2CC3(C2)CC[NH+](C)CC3)CN1C(=O)OC(C)(C)C ZINC001168872199 784952921 /nfs/dbraw/zinc/95/29/21/784952921.db2.gz LLIOYWUTOGPBAM-CABCVRRESA-N 1 3 323.481 2.412 20 0 DEADHO COc1cccc([C@@H](CCO)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC001169094003 785031298 /nfs/dbraw/zinc/03/12/98/785031298.db2.gz JZRRZDVRJYDVMF-KYHPRHEASA-N 1 3 304.434 2.334 20 0 DEADHO CC(C)C(=O)N(C)C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169153069 785065881 /nfs/dbraw/zinc/06/58/81/785065881.db2.gz GPMMFNKNKKWGFC-BJWYYQGGSA-N 1 3 307.482 2.190 20 0 DEADHO CC(C)C(=O)N(C)C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169153069 785065886 /nfs/dbraw/zinc/06/58/86/785065886.db2.gz GPMMFNKNKKWGFC-BJWYYQGGSA-N 1 3 307.482 2.190 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001008051988 785090520 /nfs/dbraw/zinc/09/05/20/785090520.db2.gz JDWQGCXMWBODGP-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001008051988 785090531 /nfs/dbraw/zinc/09/05/31/785090531.db2.gz JDWQGCXMWBODGP-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(=O)N1CCC[C@H](NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC001169589977 785250703 /nfs/dbraw/zinc/25/07/03/785250703.db2.gz WTUXVOLITRHXSN-SFHVURJKSA-N 1 3 307.482 2.242 20 0 DEADHO CCOC(=O)N1CCC[C@H]([NH2+][C@H]2CCC[C@H](N(C)C)C2)CC1 ZINC001169664683 785293432 /nfs/dbraw/zinc/29/34/32/785293432.db2.gz QIVGUDWHCVZNQJ-JYJNAYRXSA-N 1 3 311.470 2.460 20 0 DEADHO CN(C)C1(C(=O)NCC[NH2+]C[C@H]2CCCC(F)(F)C2)CCC1 ZINC001129358883 785500221 /nfs/dbraw/zinc/50/02/21/785500221.db2.gz XHMOXOPOAMUCRT-ZDUSSCGKSA-N 1 3 317.424 2.002 20 0 DEADHO CCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CCC)C2 ZINC001108802776 785544426 /nfs/dbraw/zinc/54/44/26/785544426.db2.gz MPUVVHRSCYBJRC-BBWFWOEESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[NH2+][C@H]1C[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001086557995 786217489 /nfs/dbraw/zinc/21/74/89/786217489.db2.gz OIRXRBMBOAEECC-JCNLHEQBSA-N 1 3 303.450 2.255 20 0 DEADHO CC[N@H+](C)CCC(=O)NCCCNCc1oc(C(C)C)nc1C ZINC001170211941 786843875 /nfs/dbraw/zinc/84/38/75/786843875.db2.gz SIVQEQIOQMQPCI-UHFFFAOYSA-N 1 3 324.469 2.044 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCCCNCc1oc(C(C)C)nc1C ZINC001170211941 786843888 /nfs/dbraw/zinc/84/38/88/786843888.db2.gz SIVQEQIOQMQPCI-UHFFFAOYSA-N 1 3 324.469 2.044 20 0 DEADHO CN(CC(=O)NCC[NH2+]Cc1ccc(C2CC2)cc1)C1CCC1 ZINC001129532128 787221714 /nfs/dbraw/zinc/22/17/14/787221714.db2.gz RRJHMQSOIXWWTG-UHFFFAOYSA-N 1 3 315.461 2.254 20 0 DEADHO CC[C@@H]([NH2+]CCNC(=O)CN(C)C1CCC1)c1ccc(F)cc1 ZINC001129535685 787225201 /nfs/dbraw/zinc/22/52/01/787225201.db2.gz YCLJFBUCHIVXMU-QGZVFWFLSA-N 1 3 321.440 2.467 20 0 DEADHO Cc1ccc(CCC[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001129947154 787264624 /nfs/dbraw/zinc/26/46/24/787264624.db2.gz MBZIDPMYFJOAMG-SFHVURJKSA-N 1 3 319.493 2.220 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+]Cc1ccc2ccccc2c1)N(C)C ZINC001130204868 787313369 /nfs/dbraw/zinc/31/33/69/787313369.db2.gz BGUWIBHCXOMMAZ-GOSISDBHSA-N 1 3 313.445 2.386 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CC2CCC2)C1 ZINC001132153062 787946113 /nfs/dbraw/zinc/94/61/13/787946113.db2.gz MYYWTQQJVPKIQF-HOCLYGCPSA-N 1 3 309.498 2.486 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CC2CCC2)C1 ZINC001132153062 787946125 /nfs/dbraw/zinc/94/61/25/787946125.db2.gz MYYWTQQJVPKIQF-HOCLYGCPSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1C ZINC001132891892 788219509 /nfs/dbraw/zinc/21/95/09/788219509.db2.gz ALUQIQWVKCPRID-HOTGVXAUSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CCC1CC1 ZINC001132894205 788220938 /nfs/dbraw/zinc/22/09/38/788220938.db2.gz YYZFNNPBQFUDON-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C ZINC001133135918 788292315 /nfs/dbraw/zinc/29/23/15/788292315.db2.gz ZCUZPTHOOICHCW-FZZYSBJUSA-N 1 3 318.465 2.383 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@H]1C ZINC001133194426 788314076 /nfs/dbraw/zinc/31/40/76/788314076.db2.gz FLTBMDVLACYPRQ-QZTJIDSGSA-N 1 3 323.525 2.449 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCC2CC2)C1 ZINC001133346326 788376228 /nfs/dbraw/zinc/37/62/28/788376228.db2.gz LHXNKZDYSWPGRM-DOTOQJQBSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@H](C(=O)NCCNCc1cc2ccccc2o1)[NH+](C)C ZINC001133415520 788406752 /nfs/dbraw/zinc/40/67/52/788406752.db2.gz BMSHGOIAXGMFIJ-QGZVFWFLSA-N 1 3 317.433 2.225 20 0 DEADHO Cc1cccc([C@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001133434642 788428703 /nfs/dbraw/zinc/42/87/03/788428703.db2.gz WTELLMKAQRPOKT-DOTOQJQBSA-N 1 3 305.466 2.348 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+]CCNC(=O)CN2CCC[C@H]2C)c1 ZINC001133824100 788630075 /nfs/dbraw/zinc/63/00/75/788630075.db2.gz XTFFDXVOGJNHFU-HZPDHXFCSA-N 1 3 303.450 2.246 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001133846008 788638189 /nfs/dbraw/zinc/63/81/89/788638189.db2.gz ROTBNYDHPWQROQ-HNNXBMFYSA-N 1 3 309.498 2.250 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]Cc2ccccc2C2CC2)C1 ZINC001133845815 788638618 /nfs/dbraw/zinc/63/86/18/788638618.db2.gz NUMGFNJGFQRAML-OAHLLOKOSA-N 1 3 315.461 2.112 20 0 DEADHO CC1(C)CCN(CC(=O)NCC[NH2+]Cc2ccc(Cl)cc2)C1 ZINC001133893312 788660925 /nfs/dbraw/zinc/66/09/25/788660925.db2.gz CABIXVFIBGJJCA-UHFFFAOYSA-N 1 3 323.868 2.278 20 0 DEADHO CC1(C)CCN(CC(=O)NCC[NH2+]Cc2ccc(CF)cc2)C1 ZINC001133893982 788662101 /nfs/dbraw/zinc/66/21/01/788662101.db2.gz QOOAWJYASJNYSV-UHFFFAOYSA-N 1 3 321.440 2.094 20 0 DEADHO CC1(C)CCN(CC(=O)NCC[NH2+]CCCCC(F)(F)F)C1 ZINC001133894171 788662127 /nfs/dbraw/zinc/66/21/27/788662127.db2.gz WAAZLRYHTCFPJY-UHFFFAOYSA-N 1 3 323.403 2.157 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+]CC[C@H]1CCc2ccccc21)N(C)C ZINC001133966231 788696335 /nfs/dbraw/zinc/69/63/35/788696335.db2.gz YTEJIASQSMKJNZ-AEFFLSMTSA-N 1 3 317.477 2.153 20 0 DEADHO C[C@H](C[C@H](C)[NH2+]Cc1ccns1)NC(=O)CN(C)C1CCC1 ZINC001134612308 788998446 /nfs/dbraw/zinc/99/84/46/788998446.db2.gz KTPRQTLTKMUGPS-QWHCGFSZSA-N 1 3 324.494 2.000 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]C/C=C\Cl ZINC001134772810 789072540 /nfs/dbraw/zinc/07/25/40/789072540.db2.gz HVGPAONIPALGQW-GFUJYOBASA-N 1 3 303.878 2.342 20 0 DEADHO C[C@H](C[C@H](C)NC(=O)CN1CCC(C)(C)C1)[NH2+]C/C=C/Cl ZINC001135476374 789364234 /nfs/dbraw/zinc/36/42/34/789364234.db2.gz KCZZIOAJSQTVFW-UMGRQFOVSA-N 1 3 315.889 2.344 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+]Cc1ccc(Cl)cc1C ZINC001135508149 789368252 /nfs/dbraw/zinc/36/82/52/789368252.db2.gz HQQZNXFXSMLOLK-UHFFFAOYSA-N 1 3 311.857 2.196 20 0 DEADHO COC[C@H]1CN(CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CCCOCC1)C2 ZINC001170821642 789381776 /nfs/dbraw/zinc/38/17/76/789381776.db2.gz PFYAPIKBCVISRE-GUDVDZBRSA-N 1 3 322.493 2.236 20 0 DEADHO COC[C@H]1CN(CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CCCOCC1)C2 ZINC001170821642 789381785 /nfs/dbraw/zinc/38/17/85/789381785.db2.gz PFYAPIKBCVISRE-GUDVDZBRSA-N 1 3 322.493 2.236 20 0 DEADHO CCCCCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCF ZINC001135691130 789451447 /nfs/dbraw/zinc/45/14/47/789451447.db2.gz OYAMYSUBNATYRO-CABCVRRESA-N 1 3 303.466 2.341 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cnccc1C ZINC001135743300 789475275 /nfs/dbraw/zinc/47/52/75/789475275.db2.gz IDMLXJFAYZIGQT-HOTGVXAUSA-N 1 3 320.481 2.105 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCCCF ZINC001135747425 789476231 /nfs/dbraw/zinc/47/62/31/789476231.db2.gz QDYXEWCGTDFGJZ-CABCVRRESA-N 1 3 303.466 2.341 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC(F)(F)F ZINC001135979125 789581838 /nfs/dbraw/zinc/58/18/38/789581838.db2.gz CMTFJYOJYSWEDS-RYUDHWBXSA-N 1 3 311.392 2.154 20 0 DEADHO CC1CC(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)[C@H]2C)C1 ZINC001074687801 791265325 /nfs/dbraw/zinc/26/53/25/791265325.db2.gz OCWFRWWCEHOZER-INTUILBWSA-N 1 3 307.482 2.096 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CC2CCCC2)[C@@H]1C ZINC001074877929 791364432 /nfs/dbraw/zinc/36/44/32/791364432.db2.gz SBGPSAUEIJCERQ-VYDXJSESSA-N 1 3 307.482 2.240 20 0 DEADHO CC/C=C/CC[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001147724613 791605642 /nfs/dbraw/zinc/60/56/42/791605642.db2.gz KTIHOUMKJNONEG-RTRPANQVSA-N 1 3 319.493 2.217 20 0 DEADHO CC/C=C/CC[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001147724613 791605644 /nfs/dbraw/zinc/60/56/44/791605644.db2.gz KTIHOUMKJNONEG-RTRPANQVSA-N 1 3 319.493 2.217 20 0 DEADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1ccc(OC(C)C)cc1 ZINC001148403155 791745887 /nfs/dbraw/zinc/74/58/87/791745887.db2.gz KQSZJWYTVGREEW-UHFFFAOYSA-N 1 3 320.437 2.151 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092011999 791923058 /nfs/dbraw/zinc/92/30/58/791923058.db2.gz KZMJYFWTEPNCAU-APWZRJJASA-N 1 3 321.509 2.155 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092011999 791923061 /nfs/dbraw/zinc/92/30/61/791923061.db2.gz KZMJYFWTEPNCAU-APWZRJJASA-N 1 3 321.509 2.155 20 0 DEADHO CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)CCC ZINC001099554426 792239111 /nfs/dbraw/zinc/23/91/11/792239111.db2.gz YNGJXRRFKVMYNR-MLHJIOFPSA-N 1 3 321.509 2.297 20 0 DEADHO CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)CCC ZINC001099554426 792239120 /nfs/dbraw/zinc/23/91/20/792239120.db2.gz YNGJXRRFKVMYNR-MLHJIOFPSA-N 1 3 321.509 2.297 20 0 DEADHO CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001093360676 792341196 /nfs/dbraw/zinc/34/11/96/792341196.db2.gz DCHNSSFXBZICFV-DLBZAZTESA-N 1 3 319.493 2.194 20 0 DEADHO CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001093360676 792341207 /nfs/dbraw/zinc/34/12/07/792341207.db2.gz DCHNSSFXBZICFV-DLBZAZTESA-N 1 3 319.493 2.194 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]CC1CCCC1 ZINC001094040775 792697355 /nfs/dbraw/zinc/69/73/55/792697355.db2.gz OKJSEWOAMZJXFV-SOLBZPMBSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC2CC([NH2+]CC3CCCCC3)C2)C1 ZINC001100678770 792784843 /nfs/dbraw/zinc/78/48/43/792784843.db2.gz WCJOVLMGSXQCTN-FAEJEUNOSA-N 1 3 321.509 2.393 20 0 DEADHO CC[C@@H](C)C[NH2+]C1CC(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001100681482 792786047 /nfs/dbraw/zinc/78/60/47/792786047.db2.gz LPIVNDYZUGHJCK-QQFBHYJXSA-N 1 3 311.514 2.495 20 0 DEADHO CCCCCCN(C)CC(=O)NCC1CC([NH2+]CCCF)C1 ZINC001100764780 792831688 /nfs/dbraw/zinc/83/16/88/792831688.db2.gz FSLCHBCKSLCNCM-UHFFFAOYSA-N 1 3 315.477 2.343 20 0 DEADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](CC3CCCC3)C[C@@]2(C)C1 ZINC001101400110 793145036 /nfs/dbraw/zinc/14/50/36/793145036.db2.gz HDVBSFKPSQNCQE-MJGOQNOKSA-N 1 3 321.509 2.299 20 0 DEADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](CC3CCCC3)C[C@@]2(C)C1 ZINC001101400110 793145040 /nfs/dbraw/zinc/14/50/40/793145040.db2.gz HDVBSFKPSQNCQE-MJGOQNOKSA-N 1 3 321.509 2.299 20 0 DEADHO CC1(C)C[C@@H](NC[C@H]2CCC(=O)N2)CC[N@@H+]1Cc1ccccc1 ZINC001171970038 793284314 /nfs/dbraw/zinc/28/43/14/793284314.db2.gz XOFCKPLWHGXYNE-DLBZAZTESA-N 1 3 315.461 2.298 20 0 DEADHO CC1(C)C[C@@H](NC[C@H]2CCC(=O)N2)CC[N@H+]1Cc1ccccc1 ZINC001171970038 793284325 /nfs/dbraw/zinc/28/43/25/793284325.db2.gz XOFCKPLWHGXYNE-DLBZAZTESA-N 1 3 315.461 2.298 20 0 DEADHO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H](NC1(C[NH3+])CC1)C2 ZINC001172091750 793314000 /nfs/dbraw/zinc/31/40/00/793314000.db2.gz XXYFDOWBNFHOMX-BTTYYORXSA-N 1 3 309.454 2.388 20 0 DEADHO COCCC[NH+]1CCC(N[C@H]2CC(C)(C)N(O)C2(C)C)CC1 ZINC001172246038 793385887 /nfs/dbraw/zinc/38/58/87/793385887.db2.gz DWSLNZZCALBCMJ-HNNXBMFYSA-N 1 3 313.486 2.098 20 0 DEADHO COC(=O)CCN(CCC[NH+](C)C)[C@@H](C)CCOCC(C)C ZINC001172471576 793424347 /nfs/dbraw/zinc/42/43/47/793424347.db2.gz SDJJZAICYNPXGR-INIZCTEOSA-N 1 3 316.486 2.254 20 0 DEADHO CCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC001101973833 793464974 /nfs/dbraw/zinc/46/49/74/793464974.db2.gz UUNOFVOGNRPUNL-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CCC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC001101973833 793464982 /nfs/dbraw/zinc/46/49/82/793464982.db2.gz UUNOFVOGNRPUNL-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO COC(=O)N1CCC([NH2+]C2CCN(CC3CCCC3)CC2)CC1 ZINC001172735121 793485840 /nfs/dbraw/zinc/48/58/40/793485840.db2.gz ZJUSDCQQECHXQD-UHFFFAOYSA-N 1 3 323.481 2.461 20 0 DEADHO CC(C)CCC[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048844 793486497 /nfs/dbraw/zinc/48/64/97/793486497.db2.gz QWLAIDVMHMHYRH-NXHRZFHOSA-N 1 3 323.525 2.447 20 0 DEADHO CC(C)CCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048844 793486503 /nfs/dbraw/zinc/48/65/03/793486503.db2.gz QWLAIDVMHMHYRH-NXHRZFHOSA-N 1 3 323.525 2.447 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1C)N(C)C ZINC001102380408 793596704 /nfs/dbraw/zinc/59/67/04/793596704.db2.gz GOPNQUHJAOUVLW-OIISXLGYSA-N 1 3 323.525 2.447 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1C)N(C)C ZINC001102380408 793596713 /nfs/dbraw/zinc/59/67/13/793596713.db2.gz GOPNQUHJAOUVLW-OIISXLGYSA-N 1 3 323.525 2.447 20 0 DEADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CN(C/C=C/Cl)C[C@H]1C ZINC001102524756 793639204 /nfs/dbraw/zinc/63/92/04/793639204.db2.gz UUPVNABSRUGTBT-IPKOWEFYSA-N 1 3 315.889 2.155 20 0 DEADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C/C=C/Cl)C[C@H]1C ZINC001102524756 793639207 /nfs/dbraw/zinc/63/92/07/793639207.db2.gz UUPVNABSRUGTBT-IPKOWEFYSA-N 1 3 315.889 2.155 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCCCCF)C[C@H]1C ZINC001102524937 793640527 /nfs/dbraw/zinc/64/05/27/793640527.db2.gz DRZXMLPDHQEQAL-HZPDHXFCSA-N 1 3 315.477 2.152 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCCCCF)C[C@H]1C ZINC001102524937 793640528 /nfs/dbraw/zinc/64/05/28/793640528.db2.gz DRZXMLPDHQEQAL-HZPDHXFCSA-N 1 3 315.477 2.152 20 0 DEADHO CCN1CC[C@H]([N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)C1 ZINC001173365582 793705524 /nfs/dbraw/zinc/70/55/24/793705524.db2.gz LDMXUURYXGKXSK-SFHVURJKSA-N 1 3 305.441 2.428 20 0 DEADHO CCN1CC[C@H]([N@H+]2CCCN(Cc3ccc(F)cc3)CC2)C1 ZINC001173365582 793705528 /nfs/dbraw/zinc/70/55/28/793705528.db2.gz LDMXUURYXGKXSK-SFHVURJKSA-N 1 3 305.441 2.428 20 0 DEADHO CCCN1C[C@@H]2C[N@H+](C3CCN(CC(F)(F)F)CC3)C[C@@H]2C1 ZINC001173674197 793804517 /nfs/dbraw/zinc/80/45/17/793804517.db2.gz CPTWPGVYEJLMMK-OKILXGFUSA-N 1 3 319.415 2.287 20 0 DEADHO CCCN1C[C@@H]2C[N@@H+](C3CCN(CC(F)(F)F)CC3)C[C@@H]2C1 ZINC001173674197 793804525 /nfs/dbraw/zinc/80/45/25/793804525.db2.gz CPTWPGVYEJLMMK-OKILXGFUSA-N 1 3 319.415 2.287 20 0 DEADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173742674 793831255 /nfs/dbraw/zinc/83/12/55/793831255.db2.gz OOCNLDCPKYHZCS-OAGGEKHMSA-N 1 3 306.458 2.011 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC[C@H]2C)C1 ZINC001103434935 794092247 /nfs/dbraw/zinc/09/22/47/794092247.db2.gz FSCMKYOXMJRXIO-BRWVUGGUSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC[C@H]2C)C1 ZINC001103434935 794092255 /nfs/dbraw/zinc/09/22/55/794092255.db2.gz FSCMKYOXMJRXIO-BRWVUGGUSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H](CCCC[NH2+]CCC1CC1)NC(=O)CN1CC[C@H](C)C1 ZINC001175262388 794171785 /nfs/dbraw/zinc/17/17/85/794171785.db2.gz FYRYZIHSZNHNSV-HOTGVXAUSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C ZINC001103755389 794214027 /nfs/dbraw/zinc/21/40/27/794214027.db2.gz FQIOFORXQMFVCG-NVXWUHKLSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C ZINC001103755389 794214033 /nfs/dbraw/zinc/21/40/33/794214033.db2.gz FQIOFORXQMFVCG-NVXWUHKLSA-N 1 3 309.498 2.201 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CCCC[NH2+]CCC1CC1 ZINC001176351369 794411290 /nfs/dbraw/zinc/41/12/90/794411290.db2.gz SLLOBKLHIMNBRA-CYBMUJFWSA-N 1 3 306.454 2.325 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@H]1CCc2ccccc21 ZINC001176972216 794543142 /nfs/dbraw/zinc/54/31/42/794543142.db2.gz RAVVUQBICNHPRD-KRWDZBQOSA-N 1 3 303.450 2.110 20 0 DEADHO CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(N(C)C)CCC1)C2 ZINC001112396708 794621898 /nfs/dbraw/zinc/62/18/98/794621898.db2.gz AOTJNMDXPKBUDA-WMZOPIPTSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)(C(=O)NCC1([NH2+]CCF)CCCCC1)N1CCCC1 ZINC001115661585 794867129 /nfs/dbraw/zinc/86/71/29/794867129.db2.gz GHQOSPNRTJOSIN-UHFFFAOYSA-N 1 3 313.461 2.239 20 0 DEADHO CC[C@H](F)C[NH2+]C1(CNC(=O)CN(CC)CC)CCCCC1 ZINC001115777156 794916661 /nfs/dbraw/zinc/91/66/61/794916661.db2.gz DDYLOJSDAGHEAI-HNNXBMFYSA-N 1 3 315.477 2.485 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCCCCC[NH2+][C@@H](C)COC ZINC001178853380 795013152 /nfs/dbraw/zinc/01/31/52/795013152.db2.gz IJRGNXWMNKDISE-HNNXBMFYSA-N 1 3 315.502 2.018 20 0 DEADHO CC(C)C[C@H](C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001179308715 795090912 /nfs/dbraw/zinc/09/09/12/795090912.db2.gz KWDUGUWSHVKWEA-LUKYLMHMSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)CCC[NH2+][C@H]1CCN(C(=O)CN2CC[C@H](C)C2)[C@H]1C ZINC001179538680 795134306 /nfs/dbraw/zinc/13/43/06/795134306.db2.gz GPNIZQMGEHRBKS-ULQDDVLXSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)=CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H]1C ZINC001179546541 795135793 /nfs/dbraw/zinc/13/57/93/795135793.db2.gz VABSSCXMJVFNFJ-HOTGVXAUSA-N 1 3 307.482 2.264 20 0 DEADHO CC[C@@H](C(=O)NCCCCCC[NH2+]C/C=C\Cl)N(C)C ZINC001179609717 795142693 /nfs/dbraw/zinc/14/26/93/795142693.db2.gz YYMGPJSJFBXSNY-CMUBDUJZSA-N 1 3 303.878 2.345 20 0 DEADHO CC[C@H](F)C[NH2+]CCCCCCNC(=O)[C@H](CC)N(C)C ZINC001179609133 795143041 /nfs/dbraw/zinc/14/30/41/795143041.db2.gz JVAYRYUFRZSVEF-GJZGRUSLSA-N 1 3 303.466 2.341 20 0 DEADHO CCN(CC)CC(=O)NCCCCCC[NH2+]CC[C@@H](C)F ZINC001179850643 795188624 /nfs/dbraw/zinc/18/86/24/795188624.db2.gz JNCARLQONMEZIG-OAHLLOKOSA-N 1 3 303.466 2.343 20 0 DEADHO CC[C@H](F)C[NH2+]CCCCCCNC(=O)Cc1nc[nH]c1C ZINC001180159100 795253197 /nfs/dbraw/zinc/25/31/97/795253197.db2.gz YSJOROKLUDGMFE-AWEZNQCLSA-N 1 3 312.433 2.275 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CCCF)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC001180204102 795255672 /nfs/dbraw/zinc/25/56/72/795255672.db2.gz GSJPLAQRBCBOOJ-YOEHRIQHSA-N 1 3 321.440 2.300 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CCCF)CCCCC1 ZINC001120069126 795401802 /nfs/dbraw/zinc/40/18/02/795401802.db2.gz UNDCFJJPVRGZOG-UHFFFAOYSA-N 1 3 310.417 2.029 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+]C/C=C/Cl)CCCCC1 ZINC001120207800 795422368 /nfs/dbraw/zinc/42/23/68/795422368.db2.gz GNBSPQBUAKASQF-JXMROGBWSA-N 1 3 315.889 2.488 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3CC4(CCCC4)OC3=O)C[C@@H]2C1 ZINC001120255945 795430600 /nfs/dbraw/zinc/43/06/00/795430600.db2.gz PFTIDOUIUKKRCA-OWCLPIDISA-N 1 3 321.465 2.371 20 0 DEADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@@]1(C)C[NH2+]CC1CCC1 ZINC001181755325 795534030 /nfs/dbraw/zinc/53/40/30/795534030.db2.gz NJPJDTLUHBGZFM-DKSSEZFCSA-N 1 3 321.509 2.201 20 0 DEADHO CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001121289443 795612759 /nfs/dbraw/zinc/61/27/59/795612759.db2.gz SNFOEAISLHJWPJ-ZHIXCNEBSA-N 1 3 309.498 2.390 20 0 DEADHO CC(C)CC[NH2+]C[C@]1(C)CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001182629645 795715270 /nfs/dbraw/zinc/71/52/70/795715270.db2.gz KYQHVPKSDFNBQX-ZHALLVOQSA-N 1 3 323.525 2.449 20 0 DEADHO CN(CCN(C)C(=O)C12CCC[NH+]1CCC2)Cc1ccccc1 ZINC001183557758 795888267 /nfs/dbraw/zinc/88/82/67/795888267.db2.gz SUUAYDMQBJBODW-UHFFFAOYSA-N 1 3 315.461 2.205 20 0 DEADHO Cc1cccc(CN2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)c1F ZINC001137676373 796126069 /nfs/dbraw/zinc/12/60/69/796126069.db2.gz TUERESJBDLLVOH-DLBZAZTESA-N 1 3 305.441 2.344 20 0 DEADHO Cc1cccc(CN2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)c1F ZINC001137676373 796126074 /nfs/dbraw/zinc/12/60/74/796126074.db2.gz TUERESJBDLLVOH-DLBZAZTESA-N 1 3 305.441 2.344 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H](NC/C=C/Cl)C2)C1 ZINC001185091281 796180116 /nfs/dbraw/zinc/18/01/16/796180116.db2.gz SKRRZYDWZOYLIW-SJPZSHDVSA-N 1 3 313.873 2.051 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@H](NC/C=C/Cl)C2)C1 ZINC001185091281 796180119 /nfs/dbraw/zinc/18/01/19/796180119.db2.gz SKRRZYDWZOYLIW-SJPZSHDVSA-N 1 3 313.873 2.051 20 0 DEADHO Cn1c(=O)cc(CN2CCC3(C[NH+](C)C3)CC2)c2ccccc21 ZINC001139760579 796422573 /nfs/dbraw/zinc/42/25/73/796422573.db2.gz JCINLQRZIXUHOW-UHFFFAOYSA-N 1 3 311.429 2.066 20 0 DEADHO C[NH+](C)CC1CCN(Cc2c[nH]c3ncnc(Cl)c23)CC1 ZINC001139937152 796448281 /nfs/dbraw/zinc/44/82/81/796448281.db2.gz JVUSFNMTBYXGDI-UHFFFAOYSA-N 1 3 307.829 2.337 20 0 DEADHO C[C@H](F)CC[NH2+]C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001203042425 796530020 /nfs/dbraw/zinc/53/00/20/796530020.db2.gz WPJVDGPPKYYSLB-HNNXBMFYSA-N 1 3 313.461 2.047 20 0 DEADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001187842345 796587398 /nfs/dbraw/zinc/58/73/98/796587398.db2.gz KNQUOZWTUIUXTG-CYBMUJFWSA-N 1 3 321.387 2.005 20 0 DEADHO O=C(CCC[NH+]1CCCC1)N1CC[C@@H](NCc2ccsc2)C1 ZINC001188106402 796627685 /nfs/dbraw/zinc/62/76/85/796627685.db2.gz KAWURJFSGXEPSY-MRXNPFEDSA-N 1 3 321.490 2.315 20 0 DEADHO C[C@H](F)CC[NH2+][C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001188118095 796628684 /nfs/dbraw/zinc/62/86/84/796628684.db2.gz HBOWXFDKTMYWBV-GOEBONIOSA-N 1 3 321.440 2.300 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[C@@H]([NH2+]CCCF)C12CCC2 ZINC001203101697 796648991 /nfs/dbraw/zinc/64/89/91/796648991.db2.gz FVNWRPCHDUJNSA-ZIAGYGMSSA-N 1 3 313.461 2.093 20 0 DEADHO CN1C[C@@H]2C[N@@H+](Cc3ccc(OC4CCOCC4)cc3)C[C@@H]2C1 ZINC001141414664 796665064 /nfs/dbraw/zinc/66/50/64/796665064.db2.gz PPTZNODSONSIMN-CALCHBBNSA-N 1 3 316.445 2.238 20 0 DEADHO CN1C[C@@H]2C[N@H+](Cc3ccc(OC4CCOCC4)cc3)C[C@@H]2C1 ZINC001141414664 796665066 /nfs/dbraw/zinc/66/50/66/796665066.db2.gz PPTZNODSONSIMN-CALCHBBNSA-N 1 3 316.445 2.238 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCC2CCC2)C1 ZINC001189400873 796822858 /nfs/dbraw/zinc/82/28/58/796822858.db2.gz POUUKQABWYWYRQ-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001189400873 796822864 /nfs/dbraw/zinc/82/28/64/796822864.db2.gz POUUKQABWYWYRQ-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO CCCc1ccc(C(=O)N(CC[NH+](CC)CC)C(=N)N)s1 ZINC001189519373 796841176 /nfs/dbraw/zinc/84/11/76/796841176.db2.gz TVRLMVZLGDPQCG-UHFFFAOYSA-N 1 3 310.467 2.378 20 0 DEADHO CN(CC(=O)N1CC[C@@H]([N@H+](C)CCC(C)(C)C)C1)C1CCC1 ZINC001190675392 797055371 /nfs/dbraw/zinc/05/53/71/797055371.db2.gz LZZICGKYXUETEJ-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CN(CC(=O)N1CC[C@@H]([N@@H+](C)CCC(C)(C)C)C1)C1CCC1 ZINC001190675392 797055378 /nfs/dbraw/zinc/05/53/78/797055378.db2.gz LZZICGKYXUETEJ-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC[NH2+]Cc2ccccc2)c1 ZINC001152237330 797161056 /nfs/dbraw/zinc/16/10/56/797161056.db2.gz NQRUKVTYZHHZQE-UHFFFAOYSA-N 1 3 311.429 2.268 20 0 DEADHO CC(C)N(C)CC(=O)NCC[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001152432859 797186852 /nfs/dbraw/zinc/18/68/52/797186852.db2.gz NXORHGOECBYIST-HNNXBMFYSA-N 1 3 317.477 2.282 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C)cc1C ZINC001152458344 797191131 /nfs/dbraw/zinc/19/11/31/797191131.db2.gz NUORBWKZUQIZEB-SFHVURJKSA-N 1 3 317.477 2.384 20 0 DEADHO CN(Cc1ccc(CF)cc1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192143420 797332643 /nfs/dbraw/zinc/33/26/43/797332643.db2.gz NKCUXOUYRDINHB-QGZVFWFLSA-N 1 3 321.440 2.141 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CCC(C)(C)C)C2)C1 ZINC001192355653 797371527 /nfs/dbraw/zinc/37/15/27/797371527.db2.gz RXZBHXOHTAFKDR-JKSUJKDBSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CCC(C)(C)C)C2)C1 ZINC001192355653 797371532 /nfs/dbraw/zinc/37/15/32/797371532.db2.gz RXZBHXOHTAFKDR-JKSUJKDBSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([N@H+](C)CCC(C)(C)C)C2)C1 ZINC001192355649 797371580 /nfs/dbraw/zinc/37/15/80/797371580.db2.gz RXZBHXOHTAFKDR-HOTGVXAUSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CCC(C)(C)C)C2)C1 ZINC001192355649 797371587 /nfs/dbraw/zinc/37/15/87/797371587.db2.gz RXZBHXOHTAFKDR-HOTGVXAUSA-N 1 3 309.498 2.297 20 0 DEADHO CCC/C=C\CC[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192549938 797404909 /nfs/dbraw/zinc/40/49/09/797404909.db2.gz CMIWLZGUOFCXNY-KJPDOMRESA-N 1 3 304.438 2.231 20 0 DEADHO CCC/C=C\CC[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192549938 797404912 /nfs/dbraw/zinc/40/49/12/797404912.db2.gz CMIWLZGUOFCXNY-KJPDOMRESA-N 1 3 304.438 2.231 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001192960560 797474423 /nfs/dbraw/zinc/47/44/23/797474423.db2.gz RBVSRVNVHJBUQU-QGZVFWFLSA-N 1 3 307.482 2.361 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001192960560 797474427 /nfs/dbraw/zinc/47/44/27/797474427.db2.gz RBVSRVNVHJBUQU-QGZVFWFLSA-N 1 3 307.482 2.361 20 0 DEADHO CCN(CC)CC(=O)N1CCC(C[NH2+]CC2CC(C)C2)CC1 ZINC001206653685 797703488 /nfs/dbraw/zinc/70/34/88/797703488.db2.gz MRDAFOCFERVCCL-UHFFFAOYSA-N 1 3 309.498 2.203 20 0 DEADHO c1ccc(CN2CC(CNc3ccc4c(n3)CC[NH2+]C4)C2)cc1 ZINC001156401472 797993992 /nfs/dbraw/zinc/99/39/92/797993992.db2.gz ZMZRXMULUFIUMY-UHFFFAOYSA-N 1 3 308.429 2.271 20 0 DEADHO N=C(NCCCC[NH3+])Nc1cc(-c2ccnc(Cl)c2)ccn1 ZINC001157094729 798142844 /nfs/dbraw/zinc/14/28/44/798142844.db2.gz UWYBUAIKYGEMDX-UHFFFAOYSA-N 1 3 318.812 2.472 20 0 DEADHO CCC/C=C/CCN1CCCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001197158735 798157509 /nfs/dbraw/zinc/15/75/09/798157509.db2.gz VJEVYLTXBDNICV-IKSUFZCESA-N 1 3 321.509 2.465 20 0 DEADHO CCC/C=C/CCN1CCCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001197158735 798157512 /nfs/dbraw/zinc/15/75/12/798157512.db2.gz VJEVYLTXBDNICV-IKSUFZCESA-N 1 3 321.509 2.465 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1CCCN(CCCCCF)CC1 ZINC001197908467 798259455 /nfs/dbraw/zinc/25/94/55/798259455.db2.gz ZHBCQWBORPNNTB-UHFFFAOYSA-N 1 3 315.477 2.392 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1CCCN(CCCCCF)CC1 ZINC001197908467 798259458 /nfs/dbraw/zinc/25/94/58/798259458.db2.gz ZHBCQWBORPNNTB-UHFFFAOYSA-N 1 3 315.477 2.392 20 0 DEADHO CC(C)N(C)CC(=O)NCC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC001152433202 798309324 /nfs/dbraw/zinc/30/93/24/798309324.db2.gz XEACULQFLOGHAK-LBPRGKRZSA-N 1 3 313.392 2.072 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CC[C@@H](C)F)N(C)C ZINC001158117824 798346416 /nfs/dbraw/zinc/34/64/16/798346416.db2.gz JJZDLPUORKKABA-BZUAXINKSA-N 1 3 315.477 2.388 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC[C@@H](C)F)N(C)C ZINC001158117824 798346422 /nfs/dbraw/zinc/34/64/22/798346422.db2.gz JJZDLPUORKKABA-BZUAXINKSA-N 1 3 315.477 2.388 20 0 DEADHO CC[C@H](C(=O)NC[C@H]([NH2+]C(C)C)c1ccccc1OC)N(C)C ZINC001198776123 798394081 /nfs/dbraw/zinc/39/40/81/798394081.db2.gz NCPGQMBFNMCCCM-JKSUJKDBSA-N 1 3 321.465 2.191 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]([NH2+]C(C)C)c1ccccc1OC)N(C)C ZINC001198776122 798394219 /nfs/dbraw/zinc/39/42/19/798394219.db2.gz NCPGQMBFNMCCCM-HZPDHXFCSA-N 1 3 321.465 2.191 20 0 DEADHO C[C@H](F)CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001158534383 798423780 /nfs/dbraw/zinc/42/37/80/798423780.db2.gz WIPWOWIYKOPWKC-DZGCQCFKSA-N 1 3 310.417 2.013 20 0 DEADHO C[C@H](F)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001158534383 798423781 /nfs/dbraw/zinc/42/37/81/798423781.db2.gz WIPWOWIYKOPWKC-DZGCQCFKSA-N 1 3 310.417 2.013 20 0 DEADHO CC(C)c1cncnc1N(C1CC[NH2+]CC1)C1CCN(C)CC1 ZINC001158581385 798433226 /nfs/dbraw/zinc/43/32/26/798433226.db2.gz QNMONWHIUPMUIS-UHFFFAOYSA-N 1 3 317.481 2.253 20 0 DEADHO COc1cc(C)cnc1N(C1CC[NH2+]CC1)C1CCN(C)CC1 ZINC001158588747 798434308 /nfs/dbraw/zinc/43/43/08/798434308.db2.gz DOUJTYNEEFTVRW-UHFFFAOYSA-N 1 3 318.465 2.051 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([NH2+]CC2CCCCC2)CC1 ZINC001203932437 798463510 /nfs/dbraw/zinc/46/35/10/798463510.db2.gz FGIWWTVSNYDPBE-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO Clc1cc(NCC23CC[NH+](CC2)CC3)c2c(n1)CNCC2 ZINC001158828876 798475799 /nfs/dbraw/zinc/47/57/99/798475799.db2.gz QOORRZIAUABUHO-UHFFFAOYSA-N 1 3 306.841 2.279 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC[C@H](C)F ZINC001158922857 798490456 /nfs/dbraw/zinc/49/04/56/798490456.db2.gz KGQUVVMBFVZRRM-JKSUJKDBSA-N 1 3 315.477 2.388 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC[C@H](C)F ZINC001158922857 798490459 /nfs/dbraw/zinc/49/04/59/798490459.db2.gz KGQUVVMBFVZRRM-JKSUJKDBSA-N 1 3 315.477 2.388 20 0 DEADHO CN1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CCC2CC2)CC1 ZINC001159628933 798590835 /nfs/dbraw/zinc/59/08/35/798590835.db2.gz RGAVPQBIMNIPOV-KRWDZBQOSA-N 1 3 305.466 2.019 20 0 DEADHO CN1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CCC2CC2)CC1 ZINC001159628933 798590840 /nfs/dbraw/zinc/59/08/40/798590840.db2.gz RGAVPQBIMNIPOV-KRWDZBQOSA-N 1 3 305.466 2.019 20 0 DEADHO CN(C)C1(C(=O)NCCC[NH2+]C[C@H]2CCC(F)(F)C2)CCC1 ZINC001159862107 798619259 /nfs/dbraw/zinc/61/92/59/798619259.db2.gz VBEZDOMGTKFPOX-ZDUSSCGKSA-N 1 3 317.424 2.002 20 0 DEADHO Cc1cc(C)cc(C[NH2+]CCCNC(=O)[C@@H](C2CC2)N(C)C)c1 ZINC001159916258 798626092 /nfs/dbraw/zinc/62/60/92/798626092.db2.gz QEEFAEAQHYUMMP-GOSISDBHSA-N 1 3 317.477 2.240 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)CN(C)C2CCC2)cc1 ZINC001159992893 798638273 /nfs/dbraw/zinc/63/82/73/798638273.db2.gz RDPBKBBTHITJAP-UHFFFAOYSA-N 1 3 303.450 2.075 20 0 DEADHO CN(CC(=O)NCCC[NH2+]Cc1ccc(Cl)cc1)C1CCC1 ZINC001159997158 798638394 /nfs/dbraw/zinc/63/83/94/798638394.db2.gz IKQBBSRRIQISFX-UHFFFAOYSA-N 1 3 323.868 2.420 20 0 DEADHO CN(C)C1(C(=O)NCCC2=CC[N@H+](CCC3CC3)CC2)CCC1 ZINC001160359789 798678827 /nfs/dbraw/zinc/67/88/27/798678827.db2.gz AUEMSSOFPBJJMZ-UHFFFAOYSA-N 1 3 319.493 2.409 20 0 DEADHO CN(C)C1(C(=O)NCCC2=CC[N@@H+](CCC3CC3)CC2)CCC1 ZINC001160359789 798678830 /nfs/dbraw/zinc/67/88/30/798678830.db2.gz AUEMSSOFPBJJMZ-UHFFFAOYSA-N 1 3 319.493 2.409 20 0 DEADHO CCCC[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001160367142 798680039 /nfs/dbraw/zinc/68/00/39/798680039.db2.gz ARXKPHNLPKQION-QGZVFWFLSA-N 1 3 307.482 2.265 20 0 DEADHO CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001160367142 798680042 /nfs/dbraw/zinc/68/00/42/798680042.db2.gz ARXKPHNLPKQION-QGZVFWFLSA-N 1 3 307.482 2.265 20 0 DEADHO CCc1ccccc1C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160420385 798686904 /nfs/dbraw/zinc/68/69/04/798686904.db2.gz CEONQNYDWKBJJQ-SFHVURJKSA-N 1 3 319.493 2.431 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+]CC[C@@H]1CC1(Cl)Cl)N(C)C ZINC001160889713 798755917 /nfs/dbraw/zinc/75/59/17/798755917.db2.gz PZDPBWWAWQOACW-VXGBXAGGSA-N 1 3 324.296 2.006 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+][C@H](C)c1ccc(F)cc1)N(C)C ZINC001160889468 798756273 /nfs/dbraw/zinc/75/62/73/798756273.db2.gz KGZXPJYCVXIKMW-CZUORRHYSA-N 1 3 309.429 2.323 20 0 DEADHO [NH3+][C@@H]1CN(C(=O)[C@@H]2CCC[C@H](c3ccccc3)N2)CC(F)(F)C1 ZINC001160974033 798773123 /nfs/dbraw/zinc/77/31/23/798773123.db2.gz XDVGZLNPCCRCQZ-ZNMIVQPWSA-N 1 3 323.387 2.065 20 0 DEADHO CN(C(=O)[C@H](N)C12CC3CC(CC(C3)C1)C2)[C@H]1CCCC[C@H]1[NH3+] ZINC001161061561 798789638 /nfs/dbraw/zinc/78/96/38/798789638.db2.gz HEVRRVIZSHXERP-CLOTXJMVSA-N 1 3 319.493 2.258 20 0 DEADHO CN(CCN(C)C(=O)c1cccc(C[NH3+])c1)Cc1ccccc1 ZINC001161160758 798803301 /nfs/dbraw/zinc/80/33/01/798803301.db2.gz FWHOXGBCMAKZKI-UHFFFAOYSA-N 1 3 311.429 2.349 20 0 DEADHO CN(CCN(C)C(=O)[C@@]1(C)CC(C)(C)C[NH2+]1)Cc1ccccc1 ZINC001161159114 798803321 /nfs/dbraw/zinc/80/33/21/798803321.db2.gz UXXSMTZKCWYWSR-LJQANCHMSA-N 1 3 317.477 2.355 20 0 DEADHO CN(C)CCN(C(=O)C(C)(C)CC1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001161449175 798860817 /nfs/dbraw/zinc/86/08/17/798860817.db2.gz KUDXZEWLTYTDKN-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H](N)Cc1ccc(-c2ccccc2)cc1 ZINC001161530306 798877287 /nfs/dbraw/zinc/87/72/87/798877287.db2.gz VJTUORBSLUMEGQ-MDASCCDHSA-N 1 3 323.440 2.172 20 0 DEADHO C[NH+]1CCC(CN2CCN(CCCC(F)(F)F)CC2)CC1 ZINC001202441907 798891201 /nfs/dbraw/zinc/89/12/01/798891201.db2.gz GKJGKXFEEQPFEO-UHFFFAOYSA-N 1 3 307.404 2.288 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]CCCCCF)CC2)C1 ZINC001202496269 798985516 /nfs/dbraw/zinc/98/55/16/798985516.db2.gz QSRWUBKKIJQHBV-HNNXBMFYSA-N 1 3 313.461 2.049 20 0 DEADHO COCCC1([NH3+])CCN(c2ccc(CN(C)C3CC3)cn2)CC1 ZINC001162045787 799001919 /nfs/dbraw/zinc/00/19/19/799001919.db2.gz FYJFBVDKWYQLRM-UHFFFAOYSA-N 1 3 318.465 2.010 20 0 DEADHO CC[NH2+]CCN(CCc1ccccc1)C(=O)C(C)(C)N(C)CC ZINC001162847765 799187366 /nfs/dbraw/zinc/18/73/66/799187366.db2.gz BEPGTMQAPGUMFD-UHFFFAOYSA-N 1 3 319.493 2.398 20 0 DEADHO Fc1ccc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)cc1CN1CCCC1 ZINC001163107713 799248056 /nfs/dbraw/zinc/24/80/56/799248056.db2.gz DQMVHFODTAVAKA-QGPMSJSTSA-N 1 3 319.424 2.068 20 0 DEADHO CCN(CC)Cc1cccc(NC[C@]23C[NH2+]C[C@H]2COC3)c1F ZINC001163159043 799264818 /nfs/dbraw/zinc/26/48/18/799264818.db2.gz FSJVLNXMLDVSFO-YJBOKZPZSA-N 1 3 321.440 2.315 20 0 DEADHO CC[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001165485453 799735891 /nfs/dbraw/zinc/73/58/91/799735891.db2.gz WWICJSHFESXRHE-GDBMZVCRSA-N 1 3 309.498 2.249 20 0 DEADHO CC[C@H](C(=O)NCCC1(C[NH2+]CC2CC(C)C2)CC1)N(C)C ZINC001165718508 799765474 /nfs/dbraw/zinc/76/54/74/799765474.db2.gz KZBSVVMYPGOKHW-UYSNPLJNSA-N 1 3 309.498 2.249 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC1)N(C)C ZINC001110993916 799816608 /nfs/dbraw/zinc/81/66/08/799816608.db2.gz DRJLYKLXOASPPN-WCXIOVBPSA-N 1 3 307.482 2.094 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1)N(C)C ZINC001110993916 799816618 /nfs/dbraw/zinc/81/66/18/799816618.db2.gz DRJLYKLXOASPPN-WCXIOVBPSA-N 1 3 307.482 2.094 20 0 DEADHO C[C@@H]([NH2+]CCCNC(=O)CN1CCC[C@@H]1C)c1ccc(F)cc1 ZINC001166626963 799904773 /nfs/dbraw/zinc/90/47/73/799904773.db2.gz NCWOMEOBKKOZRB-LSDHHAIUSA-N 1 3 321.440 2.467 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]C/C=C\c1ccccc1 ZINC001166633354 799907300 /nfs/dbraw/zinc/90/73/00/799907300.db2.gz DXLASVGAPHIMFM-KPFINFFTSA-N 1 3 315.461 2.280 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]Cc2cccc(Cl)c2)C1 ZINC001166667610 799915367 /nfs/dbraw/zinc/91/53/67/799915367.db2.gz DWUCAEKTWHXYEK-AWEZNQCLSA-N 1 3 323.868 2.278 20 0 DEADHO C[C@@H]([NH2+]CCCNC(=O)CN1CC[C@H](C)C1)c1ccccc1F ZINC001166676954 799918047 /nfs/dbraw/zinc/91/80/47/799918047.db2.gz FCBRXMRXNFMLBS-LSDHHAIUSA-N 1 3 321.440 2.324 20 0 DEADHO CC1(C)CCN(CC(=O)NCCC[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001166764919 799945494 /nfs/dbraw/zinc/94/54/94/799945494.db2.gz OCPLDUQZPOUMNN-ZACQAIPSSA-N 1 3 321.509 2.250 20 0 DEADHO CC[C@@H](F)C[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001167035387 800012220 /nfs/dbraw/zinc/01/22/20/800012220.db2.gz FZRPOIDOBNVITG-HUUCEWRRSA-N 1 3 315.477 2.197 20 0 DEADHO CC(C)[C@H](C(=O)NCCC1(C[NH2+]CC2CC(C)C2)CC1)N(C)C ZINC001167043391 800014347 /nfs/dbraw/zinc/01/43/47/800014347.db2.gz CFKJZVBWDCWWDN-OFLPRAFFSA-N 1 3 323.525 2.495 20 0 DEADHO Fc1ccc(CN2CCN(CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001204646167 800242482 /nfs/dbraw/zinc/24/24/82/800242482.db2.gz KLCVLZMDKYMVFC-MRXNPFEDSA-N 1 3 305.441 2.333 20 0 DEADHO [NH3+]CC1CCN(Cc2cnc3cc(Br)ccn23)CC1 ZINC001205052803 800290565 /nfs/dbraw/zinc/29/05/65/800290565.db2.gz FQODMPMJTHRKHO-UHFFFAOYSA-N 1 3 323.238 2.268 20 0 DEADHO [NH3+]C[C@]1(O)CCCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC001205211891 800318021 /nfs/dbraw/zinc/31/80/21/800318021.db2.gz WWJAAYXKGWWQOT-AWEZNQCLSA-N 1 3 302.340 2.381 20 0 DEADHO C[C@@]1([NH3+])CCCN(Cc2ccccc2N2CCOCC2)CC1 ZINC001205272960 800333932 /nfs/dbraw/zinc/33/39/32/800333932.db2.gz BKNNFXXYPHEAMS-GOSISDBHSA-N 1 3 303.450 2.227 20 0 DEADHO C[C@@]1([NH3+])CCCN(Cc2ccc(N3CCC(O)CC3)s2)CC1 ZINC001205273685 800334056 /nfs/dbraw/zinc/33/40/56/800334056.db2.gz ONPODMNFKDTZAK-QGZVFWFLSA-N 1 3 323.506 2.413 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CCN1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000934440672 800358483 /nfs/dbraw/zinc/35/84/83/800358483.db2.gz LDPMYWISVCIVDU-GUDVDZBRSA-N 1 3 302.462 2.396 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CCN1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000934440672 800358489 /nfs/dbraw/zinc/35/84/89/800358489.db2.gz LDPMYWISVCIVDU-GUDVDZBRSA-N 1 3 302.462 2.396 20 0 DEADHO CCOC(=O)c1cccc(CN2CC[C@H](C)[C@@H](C[NH3+])CC2)n1 ZINC001205654203 800394190 /nfs/dbraw/zinc/39/41/90/800394190.db2.gz WRSVCXCPAJGOBY-UONOGXRCSA-N 1 3 305.422 2.065 20 0 DEADHO COc1ccc2[nH]c(CN3CCC[C@@H](C[NH3+])[C@H](C)C3)nc2c1 ZINC001206036506 800462513 /nfs/dbraw/zinc/46/25/13/800462513.db2.gz KJAZWHGGBCKTGS-OLZOCXBDSA-N 1 3 302.422 2.378 20 0 DEADHO COC(=O)c1cc(F)ccc1CN1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206036786 800462739 /nfs/dbraw/zinc/46/27/39/800462739.db2.gz PXAFOUIIYOBHCH-CHWSQXEVSA-N 1 3 308.397 2.419 20 0 DEADHO CC(C)=CC[NH2+]CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001206275146 800499896 /nfs/dbraw/zinc/49/98/96/800499896.db2.gz OGQWMPCFPISNPJ-MRXNPFEDSA-N 1 3 307.482 2.123 20 0 DEADHO CCCCC[NH2+]CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001206274676 800500258 /nfs/dbraw/zinc/50/02/58/800500258.db2.gz LGWUCKIGOYTJNQ-INIZCTEOSA-N 1 3 309.498 2.347 20 0 DEADHO CCCCC[NH2+]CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001206274679 800500572 /nfs/dbraw/zinc/50/05/72/800500572.db2.gz LGWUCKIGOYTJNQ-MRXNPFEDSA-N 1 3 309.498 2.347 20 0 DEADHO CC(C)(C)CC[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001206401087 800525614 /nfs/dbraw/zinc/52/56/14/800525614.db2.gz AHZZQFHKCUBJRZ-UHFFFAOYSA-N 1 3 306.454 2.217 20 0 DEADHO CCCN(C)CC(=O)N1CCC(C[NH2+]CCCCCF)CC1 ZINC001206890378 800617574 /nfs/dbraw/zinc/61/75/74/800617574.db2.gz OWEGHHCSVZABMT-UHFFFAOYSA-N 1 3 315.477 2.296 20 0 DEADHO CN1c2ccccc2[C@]2(CCN(CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001207282958 800722653 /nfs/dbraw/zinc/72/26/53/800722653.db2.gz ZIGSOPIYHIDBJI-LJQANCHMSA-N 1 3 315.461 2.194 20 0 DEADHO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CCC1CC[NH+](C)CC1 ZINC001207487855 800766034 /nfs/dbraw/zinc/76/60/34/800766034.db2.gz VIEQOUVPVDBMOY-ULQDDVLXSA-N 1 3 308.466 2.382 20 0 DEADHO CN(CCCN(C)C(=O)CC[NH2+]C(C)(C)C)Cc1ccncc1 ZINC000936010462 800827849 /nfs/dbraw/zinc/82/78/49/800827849.db2.gz JNDIUCYGJGDWHU-UHFFFAOYSA-N 1 3 320.481 2.140 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001207859892 800849877 /nfs/dbraw/zinc/84/98/77/800849877.db2.gz ZYMYKBCPIASIAQ-OSNZYPHYSA-N 1 3 319.493 2.408 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001207859892 800849885 /nfs/dbraw/zinc/84/98/85/800849885.db2.gz ZYMYKBCPIASIAQ-OSNZYPHYSA-N 1 3 319.493 2.408 20 0 DEADHO CC(C)(C(=O)N1CCC[C@H]([NH2+]CCCF)C1)N1CCCCC1 ZINC001208048687 800900828 /nfs/dbraw/zinc/90/08/28/800900828.db2.gz JUEKLJGIVDRQJO-HNNXBMFYSA-N 1 3 313.461 2.191 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001208515602 801000764 /nfs/dbraw/zinc/00/07/64/801000764.db2.gz VZRQAJIHALQOOD-DJIMGWMZSA-N 1 3 311.514 2.445 20 0 DEADHO CCC(CC)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001208515602 801000770 /nfs/dbraw/zinc/00/07/70/801000770.db2.gz VZRQAJIHALQOOD-DJIMGWMZSA-N 1 3 311.514 2.445 20 0 DEADHO C[C@@H]1CN(C[C@@H]2CCC[N@H+](C)C2)CCC[C@]1(O)C(F)(F)F ZINC001208608156 801029876 /nfs/dbraw/zinc/02/98/76/801029876.db2.gz QKFPAHPBUNFUPS-MGPQQGTHSA-N 1 3 308.388 2.354 20 0 DEADHO C[C@@H]1CN(C[C@@H]2CCC[N@@H+](C)C2)CCC[C@]1(O)C(F)(F)F ZINC001208608156 801029884 /nfs/dbraw/zinc/02/98/84/801029884.db2.gz QKFPAHPBUNFUPS-MGPQQGTHSA-N 1 3 308.388 2.354 20 0 DEADHO CCOC(=O)[C@H]1CCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208948194 801100675 /nfs/dbraw/zinc/10/06/75/801100675.db2.gz FMSWUTHVASARQE-MSOLQXFVSA-N 1 3 316.445 2.394 20 0 DEADHO CCOC(=O)[C@H]1CCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208948194 801100678 /nfs/dbraw/zinc/10/06/78/801100678.db2.gz FMSWUTHVASARQE-MSOLQXFVSA-N 1 3 316.445 2.394 20 0 DEADHO CC(=O)N1CCCC[C@@]12CC[N@H+](CCCN1CCCCC1)C2 ZINC001209448551 801192996 /nfs/dbraw/zinc/19/29/96/801192996.db2.gz BRWVVSGOPKJRQR-SFHVURJKSA-N 1 3 307.482 2.339 20 0 DEADHO CC(=O)N1CCCC[C@@]12CC[N@@H+](CCCN1CCCCC1)C2 ZINC001209448551 801193000 /nfs/dbraw/zinc/19/30/00/801193000.db2.gz BRWVVSGOPKJRQR-SFHVURJKSA-N 1 3 307.482 2.339 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001209643360 801244376 /nfs/dbraw/zinc/24/43/76/801244376.db2.gz SAOFQLQWGYDQIW-WMZOPIPTSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001209643356 801244386 /nfs/dbraw/zinc/24/43/86/801244386.db2.gz SAOFQLQWGYDQIW-AEFFLSMTSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccns1 ZINC001229868253 801329634 /nfs/dbraw/zinc/32/96/34/801329634.db2.gz FNMIAWGCYJULRF-HUUCEWRRSA-N 1 3 324.494 2.002 20 0 DEADHO CCCN(C)CC(=O)NC1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001230112908 801362213 /nfs/dbraw/zinc/36/22/13/801362213.db2.gz GPMACIZEOPUVIV-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\Cl ZINC001230274841 801378924 /nfs/dbraw/zinc/37/89/24/801378924.db2.gz OPJSTKOJNMBLOM-MVUUYHCISA-N 1 3 301.862 2.096 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC)CC1 ZINC001230574754 801424266 /nfs/dbraw/zinc/42/42/66/801424266.db2.gz IFNIOBXIPSZSAI-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC([C@@H]2CCC[N@H+]2CC)CC1 ZINC001230574754 801424270 /nfs/dbraw/zinc/42/42/70/801424270.db2.gz IFNIOBXIPSZSAI-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO Cc1cccc(C[NH2+][C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001211270157 801540161 /nfs/dbraw/zinc/54/01/61/801540161.db2.gz XRZJAODPHYLKQQ-GOSISDBHSA-N 1 3 317.477 2.416 20 0 DEADHO CC(=O)N1CC[C@H]([N@@H+](Cc2cc3cnccc3[nH]2)C(C)C)C1 ZINC001232016734 801769739 /nfs/dbraw/zinc/76/97/39/801769739.db2.gz DNBCTJUSJHAMED-INIZCTEOSA-N 1 3 300.406 2.394 20 0 DEADHO CC(=O)N1CC[C@H]([N@H+](Cc2cc3cnccc3[nH]2)C(C)C)C1 ZINC001232016734 801769743 /nfs/dbraw/zinc/76/97/43/801769743.db2.gz DNBCTJUSJHAMED-INIZCTEOSA-N 1 3 300.406 2.394 20 0 DEADHO O=C(NC1CC1)[C@H]1C[C@H]2C[N@H+](Cc3cc4cnccc4[nH]3)C[C@H]2C1 ZINC001232015510 801770751 /nfs/dbraw/zinc/77/07/51/801770751.db2.gz XYGYTQBNAUZEFS-XMQYKBBCSA-N 1 3 324.428 2.300 20 0 DEADHO O=C(NC1CC1)[C@H]1C[C@H]2C[N@@H+](Cc3cc4cnccc4[nH]3)C[C@H]2C1 ZINC001232015510 801770758 /nfs/dbraw/zinc/77/07/58/801770758.db2.gz XYGYTQBNAUZEFS-XMQYKBBCSA-N 1 3 324.428 2.300 20 0 DEADHO C[C@H](C[NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1)CN(C)C ZINC000401907898 801858399 /nfs/dbraw/zinc/85/83/99/801858399.db2.gz IICNJFJUSAEWPN-NVXWUHKLSA-N 1 3 319.449 2.185 20 0 DEADHO C[C@H](CN[C@@H]1CCN(C(=O)OCc2ccccc2)C1)C[NH+](C)C ZINC000401907898 801858409 /nfs/dbraw/zinc/85/84/09/801858409.db2.gz IICNJFJUSAEWPN-NVXWUHKLSA-N 1 3 319.449 2.185 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001216852438 802033512 /nfs/dbraw/zinc/03/35/12/802033512.db2.gz ZXBNKIGULNBOGA-RHSMWYFYSA-N 1 3 321.440 2.102 20 0 DEADHO CCc1ccc(-c2nnc(CNCC3CC[NH2+]CC3)o2)cc1 ZINC001217757198 802112660 /nfs/dbraw/zinc/11/26/60/802112660.db2.gz GAOBPDRNZOUSBX-UHFFFAOYSA-N 1 3 300.406 2.388 20 0 DEADHO CCC(=O)C1(c2cccc(O[C@H]3CC[NH2+]C3)c2)CCN(C)CC1 ZINC001218182411 802151545 /nfs/dbraw/zinc/15/15/45/802151545.db2.gz SSTXNSADQRTKCQ-KRWDZBQOSA-N 1 3 316.445 2.370 20 0 DEADHO [NH3+][C@H](CC(=O)Nc1cc([C@@H]2CCCN2)no1)Cc1cccs1 ZINC001218710702 802230694 /nfs/dbraw/zinc/23/06/94/802230694.db2.gz KZAOKCOAYSHYQU-JQWIXIFHSA-N 1 3 320.418 2.059 20 0 DEADHO CC[C@@H](C)c1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cc1 ZINC001218810995 802244308 /nfs/dbraw/zinc/24/43/08/802244308.db2.gz YYXZGHZHFPPXEH-DDUZABMNSA-N 1 3 301.434 2.338 20 0 DEADHO N[C@H](C(=O)Nc1ccc2c3c(cccc31)CC2)C1CC[NH2+]CC1 ZINC001219003515 802272895 /nfs/dbraw/zinc/27/28/95/802272895.db2.gz MQGLTIRWRBUVNJ-SFHVURJKSA-N 1 3 309.413 2.204 20 0 DEADHO O=C(Nc1ccc(C2CC2)c2ccccc12)[C@@H]1C[NH2+]CC12CNC2 ZINC001219094581 802280620 /nfs/dbraw/zinc/28/06/20/802280620.db2.gz OYDZMDKCEUECBQ-KRWDZBQOSA-N 1 3 321.424 2.465 20 0 DEADHO CCCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001234403777 802370516 /nfs/dbraw/zinc/37/05/16/802370516.db2.gz YZOIQFPZBZOFQP-IXDOHACOSA-N 1 3 309.498 2.440 20 0 DEADHO CCCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001234403777 802370519 /nfs/dbraw/zinc/37/05/19/802370519.db2.gz YZOIQFPZBZOFQP-IXDOHACOSA-N 1 3 309.498 2.440 20 0 DEADHO c1ccc(N2CCN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)nc1 ZINC000316076261 802498929 /nfs/dbraw/zinc/49/89/29/802498929.db2.gz IMHINHDTJKLBLZ-ALOPSCKCSA-N 1 3 300.450 2.124 20 0 DEADHO Cc1ccccc1C(C)(C)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221170899 802534179 /nfs/dbraw/zinc/53/41/79/802534179.db2.gz WNWPMNJTRBONQX-INIZCTEOSA-N 1 3 315.461 2.221 20 0 DEADHO Cc1ccccc1C(C)(C)NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221170899 802534185 /nfs/dbraw/zinc/53/41/85/802534185.db2.gz WNWPMNJTRBONQX-INIZCTEOSA-N 1 3 315.461 2.221 20 0 DEADHO Cc1cccc(C2(NC(=O)[C@@H](N)CCCC[NH+](C)C)CC2)c1 ZINC001221331200 802555525 /nfs/dbraw/zinc/55/55/25/802555525.db2.gz VOTUNPDLBGFAET-INIZCTEOSA-N 1 3 303.450 2.160 20 0 DEADHO c1ccc(-c2cncc(CN3CCNC4(CC[NH2+]CC4)C3)c2)cc1 ZINC001222099814 802643786 /nfs/dbraw/zinc/64/37/86/802643786.db2.gz LURLPSRNOUNMFJ-UHFFFAOYSA-N 1 3 322.456 2.276 20 0 DEADHO Fc1ccc(CN2CCNC3(CC[NH2+]CC3)C2)cc1C1CC1 ZINC001222104789 802644905 /nfs/dbraw/zinc/64/49/05/802644905.db2.gz KUAMTXCJCUPONG-UHFFFAOYSA-N 1 3 303.425 2.231 20 0 DEADHO Fc1ccc(CCCN2CC[NH2+]C[C@@]3(CCCCN3)C2)cc1 ZINC001222666336 802723548 /nfs/dbraw/zinc/72/35/48/802723548.db2.gz BACJGFZERFWPPE-SFHVURJKSA-N 1 3 305.441 2.176 20 0 DEADHO Fc1ccc(CCC[N@@H+]2CCNC[C@@]3(CCCCN3)C2)cc1 ZINC001222666336 802723553 /nfs/dbraw/zinc/72/35/53/802723553.db2.gz BACJGFZERFWPPE-SFHVURJKSA-N 1 3 305.441 2.176 20 0 DEADHO Fc1ccc(CCC[N@H+]2CCNC[C@@]3(CCCCN3)C2)cc1 ZINC001222666336 802723556 /nfs/dbraw/zinc/72/35/56/802723556.db2.gz BACJGFZERFWPPE-SFHVURJKSA-N 1 3 305.441 2.176 20 0 DEADHO CC[C@@H](F)CN1CCC(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001223533138 802797763 /nfs/dbraw/zinc/79/77/63/802797763.db2.gz AQNULCPTSULFEB-CVEARBPZSA-N 1 3 315.477 2.149 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1CCN(C/C=C/Cl)CC1)[NH+](C)C ZINC001223533417 802797902 /nfs/dbraw/zinc/79/79/02/802797902.db2.gz IVWZEBSZRDZKOW-PXTSUWAFSA-N 1 3 315.889 2.153 20 0 DEADHO CC(C)=CC[NH+]1CCC(CNC(=O)CN2CCC[C@H]2C)CC1 ZINC001224535134 802879784 /nfs/dbraw/zinc/87/97/84/802879784.db2.gz CWICANLUYPRADQ-MRXNPFEDSA-N 1 3 307.482 2.265 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCC1CC[NH+](CC2CCC2)CC1 ZINC001224535661 802880526 /nfs/dbraw/zinc/88/05/26/802880526.db2.gz IHYHIWIIIKWILP-OAHLLOKOSA-N 1 3 307.482 2.099 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCF ZINC001226614823 803131758 /nfs/dbraw/zinc/13/17/58/803131758.db2.gz TZFIRBFYUVVMID-BZUAXINKSA-N 1 3 313.461 2.237 20 0 DEADHO Nc1cc(OC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)ccn1 ZINC001226654538 803137516 /nfs/dbraw/zinc/13/75/16/803137516.db2.gz ZMCRHFKMKJUEEO-QGZVFWFLSA-N 1 3 313.401 2.334 20 0 DEADHO Nc1cc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccn1 ZINC001226654538 803137518 /nfs/dbraw/zinc/13/75/18/803137518.db2.gz ZMCRHFKMKJUEEO-QGZVFWFLSA-N 1 3 313.401 2.334 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/Cl)N(C)C ZINC001226922068 803176247 /nfs/dbraw/zinc/17/62/47/803176247.db2.gz LFPDLIPJQCEGFN-DVTQJAKQSA-N 1 3 315.889 2.342 20 0 DEADHO COCC[NH+]1CCC(Oc2ccc3c(c2)CCN(C)C3)CC1 ZINC001228943303 803434401 /nfs/dbraw/zinc/43/44/01/803434401.db2.gz FIEMNMMRHQYBRX-UHFFFAOYSA-N 1 3 304.434 2.164 20 0 DEADHO Cc1ccc(CN2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)c(C)c1 ZINC001369843559 1149268300 /nfs/dbraw/zinc/26/83/00/1149268300.db2.gz MSTCMKHOHNMOFY-GOSISDBHSA-N 1 3 317.477 2.336 20 0 DEADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]Cc1ccccc1 ZINC001368838150 1148703454 /nfs/dbraw/zinc/70/34/54/1148703454.db2.gz IRKRAXVZKPASQE-GJZGRUSLSA-N 1 3 303.450 2.154 20 0 DEADHO CC[C@H](C(=O)N1CCC(C[N@H+](C)C/C=C\Cl)CC1)N(C)C ZINC001418937599 1168079647 /nfs/dbraw/zinc/07/96/47/1168079647.db2.gz KLUORCFZXWCJSJ-WUKHSURWSA-N 1 3 315.889 2.250 20 0 DEADHO CC[C@H](C(=O)N1CCC(C[N@@H+](C)C/C=C\Cl)CC1)N(C)C ZINC001418937599 1168079653 /nfs/dbraw/zinc/07/96/53/1168079653.db2.gz KLUORCFZXWCJSJ-WUKHSURWSA-N 1 3 315.889 2.250 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1cccc(F)c1)C1CC1)N(C)C ZINC001370259129 1149437949 /nfs/dbraw/zinc/43/79/49/1149437949.db2.gz BOWRGURPRORUML-IRXDYDNUSA-N 1 3 321.440 2.150 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@@H]1CCCN(Cc2ccsc2)C1 ZINC001419569965 1168608874 /nfs/dbraw/zinc/60/88/74/1168608874.db2.gz ZDSXFQXLSRWHQC-AWEZNQCLSA-N 1 3 309.479 2.028 20 0 DEADHO CN(CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CC1)C2)CC(C)(C)C ZINC001368329080 1148415350 /nfs/dbraw/zinc/41/53/50/1148415350.db2.gz XUIBWRGARBRJCY-BBWFWOEESA-N 1 3 321.509 2.343 20 0 DEADHO CN(CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CC1)C2)CC(C)(C)C ZINC001368329080 1148415354 /nfs/dbraw/zinc/41/53/54/1148415354.db2.gz XUIBWRGARBRJCY-BBWFWOEESA-N 1 3 321.509 2.343 20 0 DEADHO C[C@H](NC/C(Cl)=C\Cl)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001368332836 1148415738 /nfs/dbraw/zinc/41/57/38/1148415738.db2.gz JHUKZUXCCHIWLC-VKXYGBLQSA-N 1 3 322.280 2.084 20 0 DEADHO N[C@H](Cc1ccccc1)C(=O)NCCCCCC1CC[NH2+]CC1 ZINC001344709166 1150837812 /nfs/dbraw/zinc/83/78/12/1150837812.db2.gz WNNFGTWALDJDIU-GOSISDBHSA-N 1 3 317.477 2.233 20 0 DEADHO C[C@H]([NH2+]C/C=C/Cl)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001368348018 1148420657 /nfs/dbraw/zinc/42/06/57/1148420657.db2.gz YRCYPZNXVKCWRS-CSNMRHKHSA-N 1 3 313.873 2.050 20 0 DEADHO CC(C)CCC[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001404095840 1163440343 /nfs/dbraw/zinc/44/03/43/1163440343.db2.gz WLKXNIZMYKYNDR-SJORKVTESA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)CCC[N@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001404095840 1163440349 /nfs/dbraw/zinc/44/03/49/1163440349.db2.gz WLKXNIZMYKYNDR-SJORKVTESA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]CC2(CN)CCC2)C1(C)C ZINC001575212133 1069392448 /nfs/dbraw/zinc/39/24/48/1069392448.db2.gz FYKBDRVIQQYFSO-QWHCGFSZSA-N 1 3 311.470 2.397 20 0 DEADHO C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001603677937 1070038427 /nfs/dbraw/zinc/03/84/27/1070038427.db2.gz ANJVZNVZRBRBDG-GVXVVHGQSA-N 1 3 318.400 2.174 20 0 DEADHO C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001603677937 1070038443 /nfs/dbraw/zinc/03/84/43/1070038443.db2.gz ANJVZNVZRBRBDG-GVXVVHGQSA-N 1 3 318.400 2.174 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[N@@H+](C)CC[C@H](C)F ZINC001366569553 1147360924 /nfs/dbraw/zinc/36/09/24/1147360924.db2.gz FMCAYLWFGNOVLU-LSDHHAIUSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[N@H+](C)CC[C@H](C)F ZINC001366569553 1147360931 /nfs/dbraw/zinc/36/09/31/1147360931.db2.gz FMCAYLWFGNOVLU-LSDHHAIUSA-N 1 3 301.450 2.045 20 0 DEADHO CCCN1CC[C@@H]([NH2+]C2CCC(C)(N3CCOCC3)CC2)C1 ZINC001462460021 1058829163 /nfs/dbraw/zinc/82/91/63/1058829163.db2.gz VPDYYNUGOKIHSA-LXPRWKDFSA-N 1 3 309.498 2.094 20 0 DEADHO CCCN(C)CC(=O)NC[C@]1(C)CCC[N@H+](CC[C@@H](C)F)C1 ZINC001500547016 1058913282 /nfs/dbraw/zinc/91/32/82/1058913282.db2.gz MBHBQRKKXVALFA-WBVHZDCISA-N 1 3 315.477 2.295 20 0 DEADHO CCCN(C)CC(=O)NC[C@]1(C)CCC[N@@H+](CC[C@@H](C)F)C1 ZINC001500547016 1058913300 /nfs/dbraw/zinc/91/33/00/1058913300.db2.gz MBHBQRKKXVALFA-WBVHZDCISA-N 1 3 315.477 2.295 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CC(CC)CC)C[C@@H]2C1 ZINC001501240384 1059400359 /nfs/dbraw/zinc/40/03/59/1059400359.db2.gz LGWAFSVKXWHDIF-CALCHBBNSA-N 1 3 309.498 2.155 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CC(CC)CC)C[C@@H]2C1 ZINC001501240384 1059400370 /nfs/dbraw/zinc/40/03/70/1059400370.db2.gz LGWAFSVKXWHDIF-CALCHBBNSA-N 1 3 309.498 2.155 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]CC[C@H](C)F)CCC1 ZINC001501960026 1059807001 /nfs/dbraw/zinc/80/70/01/1059807001.db2.gz FYVHAJSDNMUYTF-LSDHHAIUSA-N 1 3 313.461 2.237 20 0 DEADHO CC(C)(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001505409301 1060544615 /nfs/dbraw/zinc/54/46/15/1060544615.db2.gz VBPNMDTVUZGKPA-HNNXBMFYSA-N 1 3 306.454 2.359 20 0 DEADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001505625770 1060791157 /nfs/dbraw/zinc/79/11/57/1060791157.db2.gz NNBWVYFQPMFMQO-HUUCEWRRSA-N 1 3 307.482 2.454 20 0 DEADHO CCc1cccc(CN[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1 ZINC001474099010 1060816203 /nfs/dbraw/zinc/81/62/03/1060816203.db2.gz YRRQAHPVLHDZJQ-SFHVURJKSA-N 1 3 319.493 2.431 20 0 DEADHO CO[C@](C)(C[NH2+]C1CCC(C)(N2CCOCC2)CC1)C1CC1 ZINC001474540992 1060889289 /nfs/dbraw/zinc/88/92/89/1060889289.db2.gz GBDCRWJYGAQWJT-DAWZGUTISA-N 1 3 310.482 2.425 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)NCc1cc(C)ccc1F ZINC001505724958 1060903402 /nfs/dbraw/zinc/90/34/02/1060903402.db2.gz NLRUNULTQARMCP-LSDHHAIUSA-N 1 3 323.456 2.459 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H](C)NCc1cc(C)ccc1F ZINC001505724958 1060903415 /nfs/dbraw/zinc/90/34/15/1060903415.db2.gz NLRUNULTQARMCP-LSDHHAIUSA-N 1 3 323.456 2.459 20 0 DEADHO Cc1ccc(F)c(C[NH2+][C@@H](C)[C@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001505760043 1060937748 /nfs/dbraw/zinc/93/77/48/1060937748.db2.gz FSSQWUGUMYERFL-GJZGRUSLSA-N 1 3 323.456 2.457 20 0 DEADHO CC(C)=CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC001505774989 1060950909 /nfs/dbraw/zinc/95/09/09/1060950909.db2.gz IGTWLJJJCTVOOA-JCYILVPMSA-N 1 3 307.482 2.406 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001480168652 1062419806 /nfs/dbraw/zinc/41/98/06/1062419806.db2.gz SQNQOACTDDYHCY-KBRIMQKVSA-N 1 3 321.440 2.465 20 0 DEADHO CCCN(C)CC(=O)N1C[C@]2(C)C[N@H+](CCC3CC3)C[C@]2(C)C1 ZINC001506870158 1062452698 /nfs/dbraw/zinc/45/26/98/1062452698.db2.gz FTSZSPQQIBTDLE-KDURUIRLSA-N 1 3 321.509 2.299 20 0 DEADHO CCCN(C)CC(=O)N1C[C@]2(C)C[N@@H+](CCC3CC3)C[C@]2(C)C1 ZINC001506870158 1062452715 /nfs/dbraw/zinc/45/27/15/1062452715.db2.gz FTSZSPQQIBTDLE-KDURUIRLSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001480254507 1062534491 /nfs/dbraw/zinc/53/44/91/1062534491.db2.gz COWRNHDMSVKVNH-SJORKVTESA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001480254507 1062534508 /nfs/dbraw/zinc/53/45/08/1062534508.db2.gz COWRNHDMSVKVNH-SJORKVTESA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[NH2+]CC[C@H](C)F ZINC001480366646 1062721985 /nfs/dbraw/zinc/72/19/85/1062721985.db2.gz BJCTXWCFAQRATR-LSDHHAIUSA-N 1 3 301.450 2.045 20 0 DEADHO C[C@@H]1[C@@H]([NH2+]CCCC2CCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001507288664 1063038882 /nfs/dbraw/zinc/03/88/82/1063038882.db2.gz MXYAXUYVAPSAHJ-CJNGLKHVSA-N 1 3 304.438 2.112 20 0 DEADHO C[N@H+](CCCC1CCC1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001480735399 1063269563 /nfs/dbraw/zinc/26/95/63/1063269563.db2.gz FNHUYVKMLXPYQU-QGZVFWFLSA-N 1 3 318.465 2.455 20 0 DEADHO C[N@@H+](CCCC1CCC1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001480735399 1063269574 /nfs/dbraw/zinc/26/95/74/1063269574.db2.gz FNHUYVKMLXPYQU-QGZVFWFLSA-N 1 3 318.465 2.455 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[C@H]2CCC[N@@H+]2CC2CC2)C1 ZINC001480830097 1063413420 /nfs/dbraw/zinc/41/34/20/1063413420.db2.gz HPMUTMPLUNKPJB-WBVHZDCISA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[C@H]2CCC[N@H+]2CC2CC2)C1 ZINC001480830097 1063413426 /nfs/dbraw/zinc/41/34/26/1063413426.db2.gz HPMUTMPLUNKPJB-WBVHZDCISA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[C@H]1CCC[N@@H+]1CC1CCC1 ZINC001480832554 1063423151 /nfs/dbraw/zinc/42/31/51/1063423151.db2.gz BGMODAGALIPNII-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[C@H]1CCC[N@H+]1CC1CCC1 ZINC001480832554 1063423158 /nfs/dbraw/zinc/42/31/58/1063423158.db2.gz BGMODAGALIPNII-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)CC[NH2+]C/C=C/c1ccccc1)N(C)C ZINC001493586385 1063874827 /nfs/dbraw/zinc/87/48/27/1063874827.db2.gz PNXUIHABLRJVHG-PEKVBPLLSA-N 1 3 317.477 2.334 20 0 DEADHO Cc1ccc(F)c(CNCCN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)c1 ZINC001493695553 1063923682 /nfs/dbraw/zinc/92/36/82/1063923682.db2.gz SGDBUHDFRXWEOJ-OAHLLOKOSA-N 1 3 321.440 2.024 20 0 DEADHO Cc1ccc(F)c(CNCCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC001493695553 1063923684 /nfs/dbraw/zinc/92/36/84/1063923684.db2.gz SGDBUHDFRXWEOJ-OAHLLOKOSA-N 1 3 321.440 2.024 20 0 DEADHO CC(C)CC[N@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001494213110 1064176310 /nfs/dbraw/zinc/17/63/10/1064176310.db2.gz DKXPIBPTHJTCCZ-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)CC[N@@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001494213110 1064176312 /nfs/dbraw/zinc/17/63/12/1064176312.db2.gz DKXPIBPTHJTCCZ-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CN(CC[NH2+]Cc1ccc(C2CC2)cc1)C(=O)[C@@H]1CCCN1C ZINC001567475291 1064216762 /nfs/dbraw/zinc/21/67/62/1064216762.db2.gz GGYRRWCFQYOGDY-SFHVURJKSA-N 1 3 315.461 2.206 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]CCN(C)C(=O)CN(C)C1CCC1 ZINC001567509271 1064230088 /nfs/dbraw/zinc/23/00/88/1064230088.db2.gz ZEBLKDIEHFDGCC-UHFFFAOYSA-N 1 3 321.440 2.166 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C)cc1 ZINC001567611857 1064279851 /nfs/dbraw/zinc/27/98/51/1064279851.db2.gz XNBLPRJXEWNWMB-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO CC/C=C\CC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001567738472 1064391212 /nfs/dbraw/zinc/39/12/12/1064391212.db2.gz PQIPPVSOHRHCRY-XVWMLYKFSA-N 1 3 304.438 2.089 20 0 DEADHO CC/C=C\CC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001567738472 1064391218 /nfs/dbraw/zinc/39/12/18/1064391218.db2.gz PQIPPVSOHRHCRY-XVWMLYKFSA-N 1 3 304.438 2.089 20 0 DEADHO CC[C@H](F)C[NH2+]CC1(NC(=O)CN2CC[C@H](C)C2)CCCC1 ZINC001495189205 1064753724 /nfs/dbraw/zinc/75/37/24/1064753724.db2.gz VMIIYAWLXBIQEV-GJZGRUSLSA-N 1 3 313.461 2.095 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]C[C@H](C)CNC(=O)CN(C)C(C)C ZINC001495816343 1065127814 /nfs/dbraw/zinc/12/78/14/1065127814.db2.gz ULVXQEUVSGHNRT-AWEZNQCLSA-N 1 3 323.456 2.316 20 0 DEADHO Cc1cc(CNC/C=C/CNC(=O)[C@@H](C(C)C)[NH+](C)C)cs1 ZINC001568913502 1065186763 /nfs/dbraw/zinc/18/67/63/1065186763.db2.gz GFUKYMMOGAAOIT-FYCOFBDGSA-N 1 3 323.506 2.405 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CCF)N1CCCC1 ZINC001569165268 1065333397 /nfs/dbraw/zinc/33/33/97/1065333397.db2.gz SAIRQXPVFMEXKO-HUUCEWRRSA-N 1 3 313.461 2.095 20 0 DEADHO C[C@@H](C[NH2+]Cc1ccccc1)N(C)C(=O)CN1CCC(C)CC1 ZINC001496196210 1065335023 /nfs/dbraw/zinc/33/50/23/1065335023.db2.gz OKBLAPQZKRVBPX-KRWDZBQOSA-N 1 3 317.477 2.355 20 0 DEADHO Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCCN2C)c(C)c1 ZINC001569188019 1065353204 /nfs/dbraw/zinc/35/32/04/1065353204.db2.gz AWRCOIGWJOKKQE-GOSISDBHSA-N 1 3 317.477 2.336 20 0 DEADHO CN(C)C1(C(=O)N(C)CC[N@H+](C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCC1 ZINC001496716999 1065669582 /nfs/dbraw/zinc/66/95/82/1065669582.db2.gz AQTXHJNUDSNXGM-ZACQAIPSSA-N 1 3 321.509 2.297 20 0 DEADHO CN(C)C1(C(=O)N(C)CC[N@@H+](C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCC1 ZINC001496716999 1065669587 /nfs/dbraw/zinc/66/95/87/1065669587.db2.gz AQTXHJNUDSNXGM-ZACQAIPSSA-N 1 3 321.509 2.297 20 0 DEADHO CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001569866103 1065777737 /nfs/dbraw/zinc/77/77/37/1065777737.db2.gz HIAFJTSMWLOQIJ-SHTZXODSSA-N 1 3 306.454 2.183 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H](CC[NH2+]CC3CCCC3)C2)CCC1 ZINC001569984203 1065859772 /nfs/dbraw/zinc/85/97/72/1065859772.db2.gz RFEFNSMBIVVCNW-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccsc1)N(C)C ZINC001497205625 1065961215 /nfs/dbraw/zinc/96/12/15/1065961215.db2.gz LGSWIPLNVJCCBV-HIFRSBDPSA-N 1 3 311.495 2.319 20 0 DEADHO CCN(CCNC/C=C/Cl)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001497403726 1066075592 /nfs/dbraw/zinc/07/55/92/1066075592.db2.gz MYHYISYBWORLCS-VZUFXWRPSA-N 1 3 301.862 2.051 20 0 DEADHO CCN(CCNC/C=C/Cl)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001497403726 1066075599 /nfs/dbraw/zinc/07/55/99/1066075599.db2.gz MYHYISYBWORLCS-VZUFXWRPSA-N 1 3 301.862 2.051 20 0 DEADHO CCN(CCNC/C=C\Cl)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001497406494 1066076630 /nfs/dbraw/zinc/07/66/30/1066076630.db2.gz BUDQEVSWELDJKC-KDQWWBNRSA-N 1 3 313.873 2.194 20 0 DEADHO CCN(CCNC/C=C\Cl)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001497406494 1066076622 /nfs/dbraw/zinc/07/66/22/1066076622.db2.gz BUDQEVSWELDJKC-KDQWWBNRSA-N 1 3 313.873 2.194 20 0 DEADHO CC(C)N(C)CC(=O)NC/C=C/C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001497762898 1066292598 /nfs/dbraw/zinc/29/25/98/1066292598.db2.gz KANGYDYXNKSGFA-KUFDGEAHSA-N 1 3 307.482 2.025 20 0 DEADHO CC[C@@H](F)CNC[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001497841970 1066357515 /nfs/dbraw/zinc/35/75/15/1066357515.db2.gz CSZHNDCVBIJFHK-ZIAGYGMSSA-N 1 3 315.477 2.482 20 0 DEADHO CC[C@@H](F)CNC[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001497841970 1066357529 /nfs/dbraw/zinc/35/75/29/1066357529.db2.gz CSZHNDCVBIJFHK-ZIAGYGMSSA-N 1 3 315.477 2.482 20 0 DEADHO CC(C)Oc1ccc([C@@H](CNC(=O)CC(C)(C)[NH3+])N(C)C)cc1 ZINC001575807745 1066435768 /nfs/dbraw/zinc/43/57/68/1066435768.db2.gz ZFFBMZQOUYXWGQ-MRXNPFEDSA-N 1 3 321.465 2.320 20 0 DEADHO C[C@H](NCCC(=O)NCc1ccccc1Cl)[C@H]1CCC[NH2+]C1 ZINC001576243804 1066534178 /nfs/dbraw/zinc/53/41/78/1066534178.db2.gz GDKCOWIUQKSRIO-KBPBESRZSA-N 1 3 323.868 2.324 20 0 DEADHO CC1(C)[C@H](N)C[C@H]1[NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001576381733 1066581072 /nfs/dbraw/zinc/58/10/72/1066581072.db2.gz FMOFMZAWSWFZAJ-BZUAXINKSA-N 1 3 317.433 2.113 20 0 DEADHO C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCC23CCC3)CCN1C1CCCC1 ZINC001576761509 1066681358 /nfs/dbraw/zinc/68/13/58/1066681358.db2.gz BVOVFYGVUWGPNE-NVXWUHKLSA-N 1 3 319.493 2.242 20 0 DEADHO CCc1cccc(C[NH2+]CCCN(C)C(=O)Cc2c[nH]cn2)c1 ZINC001498619162 1066807207 /nfs/dbraw/zinc/80/72/07/1066807207.db2.gz OOQSWBOHEHYCEJ-UHFFFAOYSA-N 1 3 314.433 2.153 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C[NH2+]CC1=CCCCC1)C1CC1 ZINC001498862388 1066926120 /nfs/dbraw/zinc/92/61/20/1066926120.db2.gz OSKGJVAUHYGNQN-QGZVFWFLSA-N 1 3 316.449 2.245 20 0 DEADHO CN(C)C[C@@H](NC(=O)[C@H]1CC[C@@H]([NH3+])CC1)c1ccc(F)cc1 ZINC001578413011 1067091725 /nfs/dbraw/zinc/09/17/25/1067091725.db2.gz ZHCWSSRCXVGDAL-VNQPRFMTSA-N 1 3 307.413 2.062 20 0 DEADHO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C[NH3+])C1CCCCCC1 ZINC001578540543 1067128098 /nfs/dbraw/zinc/12/80/98/1067128098.db2.gz XEJGAUCKTJYQLW-GVDBMIGSSA-N 1 3 307.482 2.227 20 0 DEADHO COCCOC[C@H](C)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC001579055820 1067227462 /nfs/dbraw/zinc/22/74/62/1067227462.db2.gz HELHHYYOGULWSK-QILLFSRXSA-N 1 3 324.440 2.160 20 0 DEADHO COc1ccc(C[C@@H]2CCN2CCC2([NH3+])CCOCC2)cc1 ZINC001579205540 1067258967 /nfs/dbraw/zinc/25/89/67/1067258967.db2.gz DKZMVYNMIUZWRL-INIZCTEOSA-N 1 3 304.434 2.210 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC001499577173 1067265428 /nfs/dbraw/zinc/26/54/28/1067265428.db2.gz RCEFTUPJULEZJQ-GOSISDBHSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC001499577173 1067265434 /nfs/dbraw/zinc/26/54/34/1067265434.db2.gz RCEFTUPJULEZJQ-GOSISDBHSA-N 1 3 307.482 2.051 20 0 DEADHO COc1cccc(NC(=O)CC[NH2+][C@@H]2CCCC[C@H]2CN)c1 ZINC001579280700 1067286019 /nfs/dbraw/zinc/28/60/19/1067286019.db2.gz NXYAGDFKXFDPNU-XJKSGUPXSA-N 1 3 305.422 2.131 20 0 DEADHO COc1cccc(NC(=O)CCN[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC001579280700 1067286022 /nfs/dbraw/zinc/28/60/22/1067286022.db2.gz NXYAGDFKXFDPNU-XJKSGUPXSA-N 1 3 305.422 2.131 20 0 DEADHO [NH3+][C@@H]1CC2(CCN(CCn3cccn3)CC2)Oc2ccccc21 ZINC001580166953 1067516112 /nfs/dbraw/zinc/51/61/12/1067516112.db2.gz XUZSAXLCXSMPHB-MRXNPFEDSA-N 1 3 312.417 2.200 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)CCCCCF)C1)N(C)C ZINC001267114223 1078591396 /nfs/dbraw/zinc/59/13/96/1078591396.db2.gz YUUBLDYZHQHNBT-JKSUJKDBSA-N 1 3 315.477 2.389 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CCCCCF)C1)N(C)C ZINC001267114223 1078591401 /nfs/dbraw/zinc/59/14/01/1078591401.db2.gz YUUBLDYZHQHNBT-JKSUJKDBSA-N 1 3 315.477 2.389 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCCCCF)C[C@@H]1C ZINC001571493547 1068350921 /nfs/dbraw/zinc/35/09/21/1068350921.db2.gz SFKJAGXSZXFTGC-GJZGRUSLSA-N 1 3 301.450 2.045 20 0 DEADHO CCC[NH2+]Cc1ccc(CNC(=O)CN(C)C2CCC2)c(F)c1 ZINC001571703248 1068491332 /nfs/dbraw/zinc/49/13/32/1068491332.db2.gz ZIXKUTMNGQYREO-UHFFFAOYSA-N 1 3 321.440 2.426 20 0 DEADHO CCCCCCN(C)CC(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC001641692906 1078723622 /nfs/dbraw/zinc/72/36/22/1078723622.db2.gz HNWYCGPDNJMCLI-HDICACEKSA-N 1 3 309.498 2.299 20 0 DEADHO CCCCCCN(C)CC(=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC001641692906 1078723629 /nfs/dbraw/zinc/72/36/29/1078723629.db2.gz HNWYCGPDNJMCLI-HDICACEKSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)CN1CC[C@@H]1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001483681450 1078783792 /nfs/dbraw/zinc/78/37/92/1078783792.db2.gz LRMDIQDNBWJXNS-PBHICJAKSA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)CN1CC[C@@H]1CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001483681450 1078783795 /nfs/dbraw/zinc/78/37/95/1078783795.db2.gz LRMDIQDNBWJXNS-PBHICJAKSA-N 1 3 313.461 2.045 20 0 DEADHO CC[C@@H]1CN(C(=O)NC[C@@H](C)[NH+]2CCCCC2)[C@H](CC)CN1 ZINC001573717807 1069078050 /nfs/dbraw/zinc/07/80/50/1069078050.db2.gz HUSZPCJMIQVGRR-BZUAXINKSA-N 1 3 310.486 2.033 20 0 DEADHO CC(C)CCCN1CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001483710192 1078841146 /nfs/dbraw/zinc/84/11/46/1078841146.db2.gz VVIRTZGUYDXADU-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CC[C@@H]1CN(C)CCCN1C(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@@H+]2C1 ZINC001548698977 1072815310 /nfs/dbraw/zinc/81/53/10/1072815310.db2.gz ZAZBOECFESKZPP-YLFCFFPRSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@@H]1CN(C)CCCN1C(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@H+]2C1 ZINC001548698977 1072815315 /nfs/dbraw/zinc/81/53/15/1072815315.db2.gz ZAZBOECFESKZPP-YLFCFFPRSA-N 1 3 307.482 2.050 20 0 DEADHO CCCN1CCCC[C@H]1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001645772836 1078989285 /nfs/dbraw/zinc/98/92/85/1078989285.db2.gz PTXNLJFEIGSPNG-WFVVYAPDSA-N 1 3 307.482 2.335 20 0 DEADHO CCCN1CCCC[C@H]1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001645772836 1078989289 /nfs/dbraw/zinc/98/92/89/1078989289.db2.gz PTXNLJFEIGSPNG-WFVVYAPDSA-N 1 3 307.482 2.335 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001549025181 1072986994 /nfs/dbraw/zinc/98/69/94/1072986994.db2.gz KDABOVQGAUYZAG-VXGBXAGGSA-N 1 3 322.478 2.195 20 0 DEADHO NC[C@@]12CCC[C@@H]1C[N@H+](CCC(=O)NCC1CCCCC1)C2 ZINC001549115457 1073029571 /nfs/dbraw/zinc/02/95/71/1073029571.db2.gz GNFNWOWYOGLIHT-SJLPKXTDSA-N 1 3 307.482 2.134 20 0 DEADHO NC[C@@]12CCC[C@@H]1C[N@@H+](CCC(=O)NCC1CCCCC1)C2 ZINC001549115457 1073029581 /nfs/dbraw/zinc/02/95/81/1073029581.db2.gz GNFNWOWYOGLIHT-SJLPKXTDSA-N 1 3 307.482 2.134 20 0 DEADHO CC[N@H+](CCNC(=O)CN(C)C1CCC1)CC1CC(C)(C)C1 ZINC001480980448 1079026233 /nfs/dbraw/zinc/02/62/33/1079026233.db2.gz GSLQUVVWLNRPOM-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CC[N@@H+](CCNC(=O)CN(C)C1CCC1)CC1CC(C)(C)C1 ZINC001480980448 1079026240 /nfs/dbraw/zinc/02/62/40/1079026240.db2.gz GSLQUVVWLNRPOM-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO N[C@H](CC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccccc1)c1ccccc1 ZINC001549208455 1073079281 /nfs/dbraw/zinc/07/92/81/1073079281.db2.gz KNCSMCMFATWXTN-IPMKNSEASA-N 1 3 323.440 2.338 20 0 DEADHO C[C@@H](C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)N1CCCCCC1 ZINC001550239856 1073532860 /nfs/dbraw/zinc/53/28/60/1073532860.db2.gz QWJBAWJMJOYNGU-FUHWJXTLSA-N 1 3 307.482 2.243 20 0 DEADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001550324265 1073590958 /nfs/dbraw/zinc/59/09/58/1073590958.db2.gz OJTKGJIVIKMYNH-YLFCFFPRSA-N 1 3 305.466 2.136 20 0 DEADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001550324265 1073590966 /nfs/dbraw/zinc/59/09/66/1073590966.db2.gz OJTKGJIVIKMYNH-YLFCFFPRSA-N 1 3 305.466 2.136 20 0 DEADHO CCn1cc([C@H](C)N[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@@H]2O)cn1 ZINC001550351250 1073609296 /nfs/dbraw/zinc/60/92/96/1073609296.db2.gz JQRKYCNIJXEMCS-ITWBUVANSA-N 1 3 320.481 2.033 20 0 DEADHO CCn1cc([C@H](C)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@@H]2O)cn1 ZINC001550351250 1073609301 /nfs/dbraw/zinc/60/93/01/1073609301.db2.gz JQRKYCNIJXEMCS-ITWBUVANSA-N 1 3 320.481 2.033 20 0 DEADHO Cc1cc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@@H]2O)sn1 ZINC001550422528 1073646510 /nfs/dbraw/zinc/64/65/10/1073646510.db2.gz XYASLAUIJUAEIM-UGUYLWEFSA-N 1 3 309.479 2.021 20 0 DEADHO Cc1cc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@@H]2O)sn1 ZINC001550422528 1073646515 /nfs/dbraw/zinc/64/65/15/1073646515.db2.gz XYASLAUIJUAEIM-UGUYLWEFSA-N 1 3 309.479 2.021 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@@H](NCc1cncn1C(C)C)C2 ZINC001550422421 1073647349 /nfs/dbraw/zinc/64/73/49/1073647349.db2.gz WBBPAWVAQCRPCN-MHORFTMASA-N 1 3 320.481 2.033 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@@H](NCc1cncn1C(C)C)C2 ZINC001550422421 1073647355 /nfs/dbraw/zinc/64/73/55/1073647355.db2.gz WBBPAWVAQCRPCN-MHORFTMASA-N 1 3 320.481 2.033 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CC1)N1CCCCC1 ZINC001481071459 1079151481 /nfs/dbraw/zinc/15/14/81/1079151481.db2.gz QQLVFJGEBCYIMU-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1CC1)N1CCCCC1 ZINC001481071459 1079151487 /nfs/dbraw/zinc/15/14/87/1079151487.db2.gz QQLVFJGEBCYIMU-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CCCCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001481096574 1079179563 /nfs/dbraw/zinc/17/95/63/1079179563.db2.gz TWBOODBIVJHWPB-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO CCCCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001481096574 1079179568 /nfs/dbraw/zinc/17/95/68/1079179568.db2.gz TWBOODBIVJHWPB-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CC1CCC2(CC2)CC1 ZINC001369276143 1148888821 /nfs/dbraw/zinc/88/88/21/1148888821.db2.gz BQEZPOXTVIMFNS-CQSZACIVSA-N 1 3 318.465 2.359 20 0 DEADHO CN1CCCC[C@@H](C[NH2+]C[C@@H](O)COCc2ccccc2F)C1 ZINC001646525999 1074470205 /nfs/dbraw/zinc/47/02/05/1074470205.db2.gz OOQODHYPNLGERE-DOTOQJQBSA-N 1 3 324.440 2.025 20 0 DEADHO C[N@@H+]1CCCC[C@@H](CNC[C@@H](O)COCc2ccccc2F)C1 ZINC001646525999 1074470207 /nfs/dbraw/zinc/47/02/07/1074470207.db2.gz OOQODHYPNLGERE-DOTOQJQBSA-N 1 3 324.440 2.025 20 0 DEADHO C[N@H+]1CCCC[C@@H](CNC[C@@H](O)COCc2ccccc2F)C1 ZINC001646525999 1074470210 /nfs/dbraw/zinc/47/02/10/1074470210.db2.gz OOQODHYPNLGERE-DOTOQJQBSA-N 1 3 324.440 2.025 20 0 DEADHO [NH3+]C[C@@H]1CN(C(=O)c2cccc3c2CNC3)C[C@@H]1c1ccccc1 ZINC001552429081 1074575258 /nfs/dbraw/zinc/57/52/58/1074575258.db2.gz ACEPTQUUSGHIKZ-VQIMIIECSA-N 1 3 321.424 2.104 20 0 DEADHO O=C(c1cccc2c1CNC2)N1CCC[C@H]([C@@H]2CCCC[NH2+]2)C1 ZINC001552432825 1074576128 /nfs/dbraw/zinc/57/61/28/1074576128.db2.gz WWIYKBLXDCVATD-YJBOKZPZSA-N 1 3 313.445 2.284 20 0 DEADHO NC1(C(=O)N2CCC[C@H]([C@@H]3CCCC[NH2+]3)C2)CC2(CCC2)C1 ZINC001552437656 1074576613 /nfs/dbraw/zinc/57/66/13/1074576613.db2.gz ALALNOYTIIHGTF-GJZGRUSLSA-N 1 3 305.466 2.029 20 0 DEADHO CC(C)C[C@](C)(C[NH3+])C(=O)NC[C@H]1NCCc2ccccc21 ZINC001646749396 1074597438 /nfs/dbraw/zinc/59/74/38/1074597438.db2.gz XIQHREIDMIFMQE-SJLPKXTDSA-N 1 3 303.450 2.001 20 0 DEADHO CC1CCC(N2CCN(C(=O)[C@@]34CCC[C@@H]3[NH2+]CC4)CC2)CC1 ZINC001552833203 1074672225 /nfs/dbraw/zinc/67/22/25/1074672225.db2.gz LLCICLSISUMETJ-BXNZUYAZSA-N 1 3 319.493 2.242 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@]23CCC[C@@H]2[NH2+]CC3)N(C)C)cc1 ZINC001552832701 1074672416 /nfs/dbraw/zinc/67/24/16/1074672416.db2.gz XDYGAQWJGYPLEO-LNLFQRSKSA-N 1 3 315.461 2.246 20 0 DEADHO CN1CCn2ncc(C[NH2+][C@H]3CCOC4(CCCCC4)C3)c2C1 ZINC001552928984 1074698662 /nfs/dbraw/zinc/69/86/62/1074698662.db2.gz FYBSDBRAUWPPRM-INIZCTEOSA-N 1 3 318.465 2.300 20 0 DEADHO C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCN1C1CCCC1 ZINC001646992032 1074750539 /nfs/dbraw/zinc/75/05/39/1074750539.db2.gz GQNHOUQECZMMFC-INIZCTEOSA-N 1 3 319.493 2.338 20 0 DEADHO CC(C)N(C)CC(=O)NCC1(C)CC[NH+](CC2CCC2)CC1 ZINC001484147344 1079324182 /nfs/dbraw/zinc/32/41/82/1079324182.db2.gz SWLDYUBAFOCKMN-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN1CCCC[C@@H]1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001647248172 1074856835 /nfs/dbraw/zinc/85/68/35/1074856835.db2.gz NUSDPMCQZJUKFZ-FGTMMUONSA-N 1 3 321.509 2.489 20 0 DEADHO CCN1CCN(CCC[NH2+]C/C=C\c2ccc(F)cc2)CC1 ZINC001560264983 1075135667 /nfs/dbraw/zinc/13/56/67/1075135667.db2.gz YNTYSNXJQWSNNG-HYXAFXHYSA-N 1 3 305.441 2.456 20 0 DEADHO CN(CC(=O)NC[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1)C1CCC1 ZINC001565843761 1075195418 /nfs/dbraw/zinc/19/54/18/1075195418.db2.gz AZHPQLUZWOZDCM-CALCHBBNSA-N 1 3 319.493 2.456 20 0 DEADHO CC/C=C/CC[NH+]1CC(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001267693143 1079381672 /nfs/dbraw/zinc/38/16/72/1079381672.db2.gz UHVBONIGRKYBEY-BQYQJAHWSA-N 1 3 309.498 2.369 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[C@@H]1CCC[N@H+]1CC[C@H](C)F ZINC001567265581 1075481833 /nfs/dbraw/zinc/48/18/33/1075481833.db2.gz ANEQVPSRHCESQR-DZGCQCFKSA-N 1 3 324.444 2.370 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[C@@H]1CCC[N@@H+]1CC[C@H](C)F ZINC001567265581 1075481837 /nfs/dbraw/zinc/48/18/37/1075481837.db2.gz ANEQVPSRHCESQR-DZGCQCFKSA-N 1 3 324.444 2.370 20 0 DEADHO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@H]2CCCCN(C)C2)c1 ZINC001650161542 1079428687 /nfs/dbraw/zinc/42/86/87/1079428687.db2.gz VOCMIJRVWUIGRV-MSOLQXFVSA-N 1 3 320.477 2.365 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)N1CC[C@@H](CC[NH3+])C1)c1ccco1 ZINC001650170554 1079435342 /nfs/dbraw/zinc/43/53/42/1079435342.db2.gz PTOGPJIBXUAXES-ZNMIVQPWSA-N 1 3 322.453 2.089 20 0 DEADHO c1ccc(COC2CC(N3CCOC4(CC[NH2+]CC4)C3)C2)cc1 ZINC001580892946 1076016708 /nfs/dbraw/zinc/01/67/08/1076016708.db2.gz MYQCLIYBTQQMOZ-UHFFFAOYSA-N 1 3 316.445 2.189 20 0 DEADHO C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(-c2nnn[n-]2)c1 ZINC001589966154 1076539712 /nfs/dbraw/zinc/53/97/12/1076539712.db2.gz ZFTQYPNYDYLFMP-AVRGHOLYSA-N 1 3 312.421 2.048 20 0 DEADHO C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(-c2nn[n-]n2)c1 ZINC001589966154 1076539716 /nfs/dbraw/zinc/53/97/16/1076539716.db2.gz ZFTQYPNYDYLFMP-AVRGHOLYSA-N 1 3 312.421 2.048 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[C@H](C[NH2+]C(C)C)CC1 ZINC001484398203 1079586348 /nfs/dbraw/zinc/58/63/48/1079586348.db2.gz XKMWHTDNGFDJCQ-SHTZXODSSA-N 1 3 306.454 2.181 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2C1 ZINC001484414270 1079600649 /nfs/dbraw/zinc/60/06/49/1079600649.db2.gz GPEJMJJNWORGGH-HDICACEKSA-N 1 3 321.509 2.299 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CC3CCCCC3)C[C@@H]2C1 ZINC001484414270 1079600653 /nfs/dbraw/zinc/60/06/53/1079600653.db2.gz GPEJMJJNWORGGH-HDICACEKSA-N 1 3 321.509 2.299 20 0 DEADHO CN(CC[NH2+]CCC1CC1)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001481279925 1079600722 /nfs/dbraw/zinc/60/07/22/1079600722.db2.gz PKTBMOOQXOQNEA-QGZVFWFLSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](F)C[NH2+][C@@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001481344211 1079737533 /nfs/dbraw/zinc/73/75/33/1079737533.db2.gz VXKSLTUJITZGTK-HOCLYGCPSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H]([NH2+]C/C=C/Cl)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001481343356 1079737689 /nfs/dbraw/zinc/73/76/89/1079737689.db2.gz NDCQEBFTSKLUIY-GBXSZLQWSA-N 1 3 313.873 2.051 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC2CCCCC2)C1 ZINC001484904931 1079852746 /nfs/dbraw/zinc/85/27/46/1079852746.db2.gz LSNSXBYBPJDQPV-DOTOQJQBSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H]1CCN(CCF)C1 ZINC001481449643 1079870208 /nfs/dbraw/zinc/87/02/08/1079870208.db2.gz GLEHDVIPJDUVGL-HOTGVXAUSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[C@H]1CCN(CCF)C1 ZINC001481449643 1079870214 /nfs/dbraw/zinc/87/02/14/1079870214.db2.gz GLEHDVIPJDUVGL-HOTGVXAUSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)(C(=O)NCC1([NH2+]CCCF)CCCC1)N1CCCC1 ZINC001268036910 1079870660 /nfs/dbraw/zinc/87/06/60/1079870660.db2.gz FJVADKFGBHVBOH-UHFFFAOYSA-N 1 3 313.461 2.239 20 0 DEADHO CC(C)[C@H](CCN(C)C(=O)CN1CCC(C)CC1)[NH2+]CCF ZINC001485440626 1080208340 /nfs/dbraw/zinc/20/83/40/1080208340.db2.gz WEARMHNTYMFVGP-INIZCTEOSA-N 1 3 315.477 2.151 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CCCF ZINC001660475955 1080337181 /nfs/dbraw/zinc/33/71/81/1080337181.db2.gz RGNDPVPKXXLEEK-HUUCEWRRSA-N 1 3 301.450 2.047 20 0 DEADHO CC(C)N1CCN(CCC[NH2+][C@@H]2CCOCC23CCCC3)CC1 ZINC001660662781 1080376996 /nfs/dbraw/zinc/37/69/96/1080376996.db2.gz OAAFSJLHZNOAOL-GOSISDBHSA-N 1 3 323.525 2.341 20 0 DEADHO CC/C=C/CC[N@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001485761672 1080418738 /nfs/dbraw/zinc/41/87/38/1080418738.db2.gz XYZVPMDHTIAAJF-FUTAKVPZSA-N 1 3 307.482 2.360 20 0 DEADHO CC/C=C/CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001485761672 1080418744 /nfs/dbraw/zinc/41/87/44/1080418744.db2.gz XYZVPMDHTIAAJF-FUTAKVPZSA-N 1 3 307.482 2.360 20 0 DEADHO CCC[N@H+](C)CCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001481747963 1080433761 /nfs/dbraw/zinc/43/37/61/1080433761.db2.gz FFTROIVKERNWKN-GOSISDBHSA-N 1 3 317.477 2.451 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001481747963 1080433769 /nfs/dbraw/zinc/43/37/69/1080433769.db2.gz FFTROIVKERNWKN-GOSISDBHSA-N 1 3 317.477 2.451 20 0 DEADHO CN(CC(=O)N(C)[C@@H](C[NH2+]C/C=C/Cl)C1CC1)C1CCC1 ZINC001485813706 1080484878 /nfs/dbraw/zinc/48/48/78/1080484878.db2.gz LHCDZYKWYMSOCB-ULYATVDSSA-N 1 3 313.873 2.050 20 0 DEADHO CCN(C(=O)CN1CC[C@@H](C)C1)[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC001481774523 1080489971 /nfs/dbraw/zinc/48/99/71/1080489971.db2.gz LIXNJMMNFQPQNQ-IAGOWNOFSA-N 1 3 307.482 2.217 20 0 DEADHO CCN(C(=O)CN1CC[C@@H](C)C1)[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001481774523 1080489976 /nfs/dbraw/zinc/48/99/76/1080489976.db2.gz LIXNJMMNFQPQNQ-IAGOWNOFSA-N 1 3 307.482 2.217 20 0 DEADHO CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107040023 1080555902 /nfs/dbraw/zinc/55/59/02/1080555902.db2.gz AAFCOSGDVJVEGS-IAGOWNOFSA-N 1 3 311.514 2.447 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC[C@H](C[NH2+]CC[C@H](C)F)CC1)N(C)C ZINC001272741426 1080565156 /nfs/dbraw/zinc/56/51/56/1080565156.db2.gz BNUULMWVPJSPDO-YHUYYLMFSA-N 1 3 315.477 2.339 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1(C[NH2+]CC2CC2)CCCC1 ZINC001481913269 1080601679 /nfs/dbraw/zinc/60/16/79/1080601679.db2.gz RPTPQNKBIQKASX-HUUCEWRRSA-N 1 3 307.482 2.288 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C/CNCc1ccsc1 ZINC001268552548 1080750184 /nfs/dbraw/zinc/75/01/84/1080750184.db2.gz NOMNMUQYPLCKRW-WOMSROEHSA-N 1 3 321.490 2.385 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC/C=C/CNCc1ccsc1 ZINC001268552548 1080750194 /nfs/dbraw/zinc/75/01/94/1080750194.db2.gz NOMNMUQYPLCKRW-WOMSROEHSA-N 1 3 321.490 2.385 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001482065917 1080771366 /nfs/dbraw/zinc/77/13/66/1080771366.db2.gz XYJCQNUPSMNFLD-QGZVFWFLSA-N 1 3 321.440 2.248 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NC/C=C/CNC/C=C/Cl)CC1 ZINC001268611564 1080890147 /nfs/dbraw/zinc/89/01/47/1080890147.db2.gz SKVKVRDREGCHQQ-SALQQRKASA-N 1 3 313.873 2.121 20 0 DEADHO CCCC[NH2+][C@H](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001664442369 1080910478 /nfs/dbraw/zinc/91/04/78/1080910478.db2.gz LDSPJRJWAUVTQD-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)=CC[N@@H+](C)C[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001664835357 1080969370 /nfs/dbraw/zinc/96/93/70/1080969370.db2.gz FTOJBXBCQXGSCI-DLBZAZTESA-N 1 3 307.482 2.075 20 0 DEADHO CC(C)=CC[N@H+](C)C[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001664835357 1080969373 /nfs/dbraw/zinc/96/93/73/1080969373.db2.gz FTOJBXBCQXGSCI-DLBZAZTESA-N 1 3 307.482 2.075 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)C1CC[NH+](CCCF)CC1 ZINC001006444586 1081144638 /nfs/dbraw/zinc/14/46/38/1081144638.db2.gz VXLRDOVNHWXDQA-INIZCTEOSA-N 1 3 313.461 2.143 20 0 DEADHO CCCCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1nc[nH]c1C ZINC001667763255 1081286841 /nfs/dbraw/zinc/28/68/41/1081286841.db2.gz HYVBTKKNQRSVTK-GJZGRUSLSA-N 1 3 306.454 2.325 20 0 DEADHO Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001668087641 1081314239 /nfs/dbraw/zinc/31/42/39/1081314239.db2.gz RIHFGVMFESHBGB-MRXNPFEDSA-N 1 3 317.477 2.464 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]C/C=C\Cl ZINC001668235144 1081331640 /nfs/dbraw/zinc/33/16/40/1081331640.db2.gz ZAPRBPGYKHNYBP-IIQYJXCPSA-N 1 3 315.889 2.486 20 0 DEADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(CC2CCCCCC2)CC1 ZINC000950509932 1081357882 /nfs/dbraw/zinc/35/78/82/1081357882.db2.gz KCNXPEUHLRCTDN-AEFFLSMTSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(CC2CCCCCC2)CC1 ZINC000950509932 1081357887 /nfs/dbraw/zinc/35/78/87/1081357887.db2.gz KCNXPEUHLRCTDN-AEFFLSMTSA-N 1 3 321.509 2.299 20 0 DEADHO CC[C@H](F)CNCCN(CC)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001668575733 1081369742 /nfs/dbraw/zinc/36/97/42/1081369742.db2.gz VPNKUUPWWWUPFT-CVEARBPZSA-N 1 3 315.477 2.437 20 0 DEADHO C[C@H](C[NH2+]CCCc1ccsc1)NC(=O)CN1CC[C@@H](C)C1 ZINC001669399594 1081449582 /nfs/dbraw/zinc/44/95/82/1081449582.db2.gz FTBMJYFZRZIAGO-HUUCEWRRSA-N 1 3 323.506 2.117 20 0 DEADHO c1[nH]nc2c1cccc2C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000084044765 1081454840 /nfs/dbraw/zinc/45/48/40/1081454840.db2.gz PHMHHKWAVGKUFS-AWEZNQCLSA-N 1 3 314.433 2.153 20 0 DEADHO CC(C)=CC[NH2+]C[C@@]1(C)CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001671785414 1081538889 /nfs/dbraw/zinc/53/88/89/1081538889.db2.gz SMIFETHACMAQAB-FUHWJXTLSA-N 1 3 307.482 2.123 20 0 DEADHO C[N@H+]1CC[C@H]2CN(C(=O)[C@H]3CCN3C3CCCCC3)C[C@H]2CC1 ZINC001270915944 1081835421 /nfs/dbraw/zinc/83/54/21/1081835421.db2.gz LEXAESUWOUNCFS-SOLBZPMBSA-N 1 3 319.493 2.194 20 0 DEADHO C[N@@H+]1CC[C@H]2CN(C(=O)[C@H]3CCN3C3CCCCC3)C[C@H]2CC1 ZINC001270915944 1081835429 /nfs/dbraw/zinc/83/54/29/1081835429.db2.gz LEXAESUWOUNCFS-SOLBZPMBSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)C[C@@](C)(C[NH3+])C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC001648961479 1081946865 /nfs/dbraw/zinc/94/68/65/1081946865.db2.gz BWLVHNVKOKVRRW-HKUYNNGSSA-N 1 3 319.493 2.287 20 0 DEADHO CC[NH+](CC)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1 ZINC001271510724 1082067378 /nfs/dbraw/zinc/06/73/78/1082067378.db2.gz IZAIDOWMBALIHZ-KSZLIROESA-N 1 3 315.461 2.375 20 0 DEADHO CC/C=C\CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001271562370 1082081957 /nfs/dbraw/zinc/08/19/57/1082081957.db2.gz SMQYTLFSWBRZTG-OSNZYPHYSA-N 1 3 307.482 2.265 20 0 DEADHO CCC[NH2+]CCN(Cc1ccccc1)C(=O)C1(N(C)C)CCC1 ZINC001271806543 1082160135 /nfs/dbraw/zinc/16/01/35/1082160135.db2.gz NTWIOTCRXYCRTB-UHFFFAOYSA-N 1 3 317.477 2.499 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC=C(C)C)C1 ZINC001482666219 1082446435 /nfs/dbraw/zinc/44/64/35/1082446435.db2.gz NWXQKFMRTXUSMA-IAGOWNOFSA-N 1 3 307.482 2.217 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC=C(C)C)C1 ZINC001482666219 1082446440 /nfs/dbraw/zinc/44/64/40/1082446440.db2.gz NWXQKFMRTXUSMA-IAGOWNOFSA-N 1 3 307.482 2.217 20 0 DEADHO C[C@@H](c1ccc(Cl)cc1)N(C)CCNC(=O)CC[NH+](C)C ZINC001480908048 1082486208 /nfs/dbraw/zinc/48/62/08/1082486208.db2.gz OBGZUUGEHSXKCK-ZDUSSCGKSA-N 1 3 311.857 2.401 20 0 DEADHO C[C@H](CC[NH2+]Cc1ccccc1F)NC(=O)CN1CC[C@@H](C)C1 ZINC001482870846 1082538195 /nfs/dbraw/zinc/53/81/95/1082538195.db2.gz HNILLTMNLYZUSM-HUUCEWRRSA-N 1 3 321.440 2.152 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+]C/C=C/CNC(=O)[C@H]2CCCN2C)c1 ZINC001483045439 1082657267 /nfs/dbraw/zinc/65/72/67/1082657267.db2.gz XCJQRZFURJINEU-FPZRGXOSSA-N 1 3 315.461 2.412 20 0 DEADHO CC1CCN(CC(=O)NC/C=C\C[NH2+]CC2CCCC2)CC1 ZINC001483077367 1082693331 /nfs/dbraw/zinc/69/33/31/1082693331.db2.gz JGSVBZCJZATDMU-PLNGDYQASA-N 1 3 307.482 2.171 20 0 DEADHO Cc1ccccc1C[N@@H+](C)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001409587262 1082969686 /nfs/dbraw/zinc/96/96/86/1082969686.db2.gz MPESGWOLUIFXJY-MRXNPFEDSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1ccccc1C[N@H+](C)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001409587262 1082969689 /nfs/dbraw/zinc/96/96/89/1082969689.db2.gz MPESGWOLUIFXJY-MRXNPFEDSA-N 1 3 317.477 2.416 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[N@H+](C)CCc1ccccc1 ZINC001409616597 1082987996 /nfs/dbraw/zinc/98/79/96/1082987996.db2.gz KUVDEIQZRGBBMQ-DLBZAZTESA-N 1 3 317.477 2.007 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[N@@H+](C)CCc1ccccc1 ZINC001409616597 1082987999 /nfs/dbraw/zinc/98/79/99/1082987999.db2.gz KUVDEIQZRGBBMQ-DLBZAZTESA-N 1 3 317.477 2.007 20 0 DEADHO Cc1ncsc1CN1CC[C@]2(C1)CCC[N@@H+](CCN(C)C)C2 ZINC001276463602 1083452385 /nfs/dbraw/zinc/45/23/85/1083452385.db2.gz VNGAMYPEMKKMKX-QGZVFWFLSA-N 1 3 322.522 2.301 20 0 DEADHO Cc1ncsc1CN1CC[C@]2(C1)CCC[N@H+](CCN(C)C)C2 ZINC001276463602 1083452392 /nfs/dbraw/zinc/45/23/92/1083452392.db2.gz VNGAMYPEMKKMKX-QGZVFWFLSA-N 1 3 322.522 2.301 20 0 DEADHO CCC[NH2+]CCC[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001277299504 1083901876 /nfs/dbraw/zinc/90/18/76/1083901876.db2.gz USIMEHLCTYEOPJ-PBHICJAKSA-N 1 3 315.477 2.483 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+]C/C=C/Cl)CC1)N(C)C ZINC001272763068 1083962527 /nfs/dbraw/zinc/96/25/27/1083962527.db2.gz MEVFVOBUFWZDQC-LYOZVOCXSA-N 1 3 315.889 2.344 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCC2)C1 ZINC001490946346 1083968077 /nfs/dbraw/zinc/96/80/77/1083968077.db2.gz BZMBOEPIOAYRRN-SHTZXODSSA-N 1 3 304.438 2.078 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]CCCF)C1CC1 ZINC001277647598 1084075870 /nfs/dbraw/zinc/07/58/70/1084075870.db2.gz UAVTZZDWMKGUDN-CVEARBPZSA-N 1 3 313.461 2.045 20 0 DEADHO CCCN(C)CC(=O)N1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC001203460763 1084135070 /nfs/dbraw/zinc/13/50/70/1084135070.db2.gz WSZFLXFWKQIZBE-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](Cc1ccc2c(c1)OCO2)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235029831 1084282531 /nfs/dbraw/zinc/28/25/31/1084282531.db2.gz AFIQMTIGQDZGOI-KBXCAEBGSA-N 1 3 302.418 2.279 20 0 DEADHO CCOC(=O)c1ccc(CCC[N@@H+]2C[C@@H](C)C[C@H](N)C2)cc1 ZINC001236045026 1084597302 /nfs/dbraw/zinc/59/73/02/1084597302.db2.gz RNKWSDLKTIDHHI-YOEHRIQHSA-N 1 3 304.434 2.465 20 0 DEADHO CCOC(=O)c1ccc(CCC[N@H+]2C[C@@H](C)C[C@H](N)C2)cc1 ZINC001236045026 1084597310 /nfs/dbraw/zinc/59/73/10/1084597310.db2.gz RNKWSDLKTIDHHI-YOEHRIQHSA-N 1 3 304.434 2.465 20 0 DEADHO [NH3+]C1CN([C@@H]2CCCN(Cc3c[nH]c4cccc(Cl)c34)C2)C1 ZINC001236073570 1084604484 /nfs/dbraw/zinc/60/44/84/1084604484.db2.gz PATAUUNXSFKULM-CQSZACIVSA-N 1 3 318.852 2.429 20 0 DEADHO Cc1cnc(-c2ccccc2)c(CN(C)CCN2CC[NH2+]CC2)c1 ZINC001236080998 1084608733 /nfs/dbraw/zinc/60/87/33/1084608733.db2.gz JZQLZMPQDVDCKD-UHFFFAOYSA-N 1 3 324.472 2.394 20 0 DEADHO CN(CCN1CC[NH2+]CC1)Cc1c[nH]c2cccc(Cl)c12 ZINC001236083866 1084610024 /nfs/dbraw/zinc/61/00/24/1084610024.db2.gz WTIGDCXNRZJLIA-UHFFFAOYSA-N 1 3 306.841 2.158 20 0 DEADHO CC(C)[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)N2CCCC2)C12CCC2 ZINC001078695679 1084828657 /nfs/dbraw/zinc/82/86/57/1084828657.db2.gz PWIPPRQTSYLBFB-HUUCEWRRSA-N 1 3 307.482 2.286 20 0 DEADHO C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)NCc1ccccc1F ZINC001485922690 1084987145 /nfs/dbraw/zinc/98/71/45/1084987145.db2.gz PPMZFWRSBPEBQR-GJZGRUSLSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)NCc1ccccc1F ZINC001485922690 1084987153 /nfs/dbraw/zinc/98/71/53/1084987153.db2.gz PPMZFWRSBPEBQR-GJZGRUSLSA-N 1 3 321.440 2.104 20 0 DEADHO CCCC[NH2+][C@H](C)CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001485923053 1084988288 /nfs/dbraw/zinc/98/82/88/1084988288.db2.gz WCRLHUQYWUDLAM-PBHICJAKSA-N 1 3 315.477 2.436 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CCCCCF)CN1C(=O)CN(C)C1CCC1 ZINC001486117033 1085073864 /nfs/dbraw/zinc/07/38/64/1085073864.db2.gz XZDXVLCVJYLWHQ-CABCVRRESA-N 1 3 313.461 2.190 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CCC([NH2+]CCF)CC1 ZINC000964438692 1085228420 /nfs/dbraw/zinc/22/84/20/1085228420.db2.gz ZOBCFHLRFWJODW-UYSNPLJNSA-N 1 3 313.461 2.190 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCC1 ZINC000960488273 1085311369 /nfs/dbraw/zinc/31/13/69/1085311369.db2.gz QPZLIXRJOGFXFZ-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCC1 ZINC000960488273 1085311380 /nfs/dbraw/zinc/31/13/80/1085311380.db2.gz QPZLIXRJOGFXFZ-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO C[N@H+](CC1CCCC1)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000961029003 1085540880 /nfs/dbraw/zinc/54/08/80/1085540880.db2.gz PKPXMVQJTURTLU-KRWDZBQOSA-N 1 3 307.482 2.195 20 0 DEADHO C[N@@H+](CC1CCCC1)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000961029003 1085540888 /nfs/dbraw/zinc/54/08/88/1085540888.db2.gz PKPXMVQJTURTLU-KRWDZBQOSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCC3CCC3)C[C@H]21 ZINC000961776088 1085859098 /nfs/dbraw/zinc/85/90/98/1085859098.db2.gz VXQMSCDNOGPFSL-ITQYTPKQSA-N 1 3 319.493 2.097 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]21 ZINC000961776088 1085859113 /nfs/dbraw/zinc/85/91/13/1085859113.db2.gz VXQMSCDNOGPFSL-ITQYTPKQSA-N 1 3 319.493 2.097 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC)C[C@H]21 ZINC000962258789 1086041040 /nfs/dbraw/zinc/04/10/40/1086041040.db2.gz ASFIEAIBWIHLFO-XDNAFOTISA-N 1 3 321.509 2.488 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC)C[C@H]21 ZINC000962258789 1086041053 /nfs/dbraw/zinc/04/10/53/1086041053.db2.gz ASFIEAIBWIHLFO-XDNAFOTISA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1CCN(CC(=O)NC2CC(C[NH2+]CC3CCCC3)C2)C1 ZINC000962308323 1086061286 /nfs/dbraw/zinc/06/12/86/1086061286.db2.gz FKVKYARDQHTFRC-OOHWJJMZSA-N 1 3 307.482 2.003 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1cc(F)ccc1C ZINC001168754732 1086467658 /nfs/dbraw/zinc/46/76/58/1086467658.db2.gz ATALLLXINIECQU-UHFFFAOYSA-N 1 3 309.429 2.072 20 0 DEADHO CC(C)[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCN3C(C)C)C2)C1 ZINC000963788822 1086558982 /nfs/dbraw/zinc/55/89/82/1086558982.db2.gz SPSGAIYKDQLAMP-HVEGKCCWSA-N 1 3 307.482 2.285 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+][C@H](C)c1cccc(OC)c1 ZINC001168763892 1087570205 /nfs/dbraw/zinc/57/02/05/1087570205.db2.gz SRVBMQBBRXEEIC-OAHLLOKOSA-N 1 3 321.465 2.194 20 0 DEADHO CCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC001114662690 1087834164 /nfs/dbraw/zinc/83/41/64/1087834164.db2.gz NFAPVCNLGGJPMD-ZSHCYNCHSA-N 1 3 307.482 2.097 20 0 DEADHO CCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC001114662690 1087834190 /nfs/dbraw/zinc/83/41/90/1087834190.db2.gz NFAPVCNLGGJPMD-ZSHCYNCHSA-N 1 3 307.482 2.097 20 0 DEADHO CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CN(CC2CCCCC2)C1 ZINC000957386393 1088246812 /nfs/dbraw/zinc/24/68/12/1088246812.db2.gz XLPPEDDVJMRXRB-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(CC2CCCCC2)C1 ZINC000957386393 1088246827 /nfs/dbraw/zinc/24/68/27/1088246827.db2.gz XLPPEDDVJMRXRB-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CC(C)(C)C ZINC001114848539 1089137624 /nfs/dbraw/zinc/13/76/24/1089137624.db2.gz BIBWKIVBWQHLPU-QLPKVWCKSA-N 1 3 309.498 2.057 20 0 DEADHO CC(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CC(C)(C)C ZINC001114848539 1089137631 /nfs/dbraw/zinc/13/76/31/1089137631.db2.gz BIBWKIVBWQHLPU-QLPKVWCKSA-N 1 3 309.498 2.057 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1C ZINC001080756532 1089172762 /nfs/dbraw/zinc/17/27/62/1089172762.db2.gz YRKXMZDCKQZMFF-NXHRZFHOSA-N 1 3 321.509 2.488 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1C ZINC001080756532 1089172765 /nfs/dbraw/zinc/17/27/65/1089172765.db2.gz YRKXMZDCKQZMFF-NXHRZFHOSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCC3)C[C@H]21 ZINC000959849912 1089792024 /nfs/dbraw/zinc/79/20/24/1089792024.db2.gz NHPWLPQPBSEHKI-XWTMOSNGSA-N 1 3 319.493 2.096 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21 ZINC000959849912 1089792036 /nfs/dbraw/zinc/79/20/36/1089792036.db2.gz NHPWLPQPBSEHKI-XWTMOSNGSA-N 1 3 319.493 2.096 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CCC1CCCC1 ZINC001082740763 1090066181 /nfs/dbraw/zinc/06/61/81/1090066181.db2.gz FTFIBRPVWZLJSP-SOLBZPMBSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001082742826 1090067287 /nfs/dbraw/zinc/06/72/87/1090067287.db2.gz SUUUKVWXAQMTQU-ZMSDIMECSA-N 1 3 321.509 2.201 20 0 DEADHO C[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC3CC3)C[C@H]21)N1CCCCCC1 ZINC001084701145 1090401233 /nfs/dbraw/zinc/40/12/33/1090401233.db2.gz QIBRQDAORMBDOA-CGTJXYLNSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC3CC3)C[C@H]21)N1CCCCCC1 ZINC001084701145 1090401236 /nfs/dbraw/zinc/40/12/36/1090401236.db2.gz QIBRQDAORMBDOA-CGTJXYLNSA-N 1 3 319.493 2.194 20 0 DEADHO CC[C@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH]cn3)[C@@H]2C1 ZINC001084776382 1090439172 /nfs/dbraw/zinc/43/91/72/1090439172.db2.gz XFXOSWSAJNNTCH-RRFJBIMHSA-N 1 3 318.465 2.266 20 0 DEADHO CC[C@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH]cn3)[C@@H]2C1 ZINC001084776382 1090439177 /nfs/dbraw/zinc/43/91/77/1090439177.db2.gz XFXOSWSAJNNTCH-RRFJBIMHSA-N 1 3 318.465 2.266 20 0 DEADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001410486282 1091012935 /nfs/dbraw/zinc/01/29/35/1091012935.db2.gz HYVIFTMMXYTMMP-YOEHRIQHSA-N 1 3 323.456 2.433 20 0 DEADHO CCc1ccc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCCN2C)cc1 ZINC001274262891 1091157642 /nfs/dbraw/zinc/15/76/42/1091157642.db2.gz JSBICJRYORNKLM-PYTPGESOSA-N 1 3 315.461 2.105 20 0 DEADHO CCN(CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)Cc1ccc(F)cc1 ZINC001493021445 1091174832 /nfs/dbraw/zinc/17/48/32/1091174832.db2.gz JIKQDLBZFSPKHV-OAHLLOKOSA-N 1 3 321.440 2.106 20 0 DEADHO CCN(CCNC(=O)C[N@H+]1CC[C@@H](C)C1)Cc1ccc(F)cc1 ZINC001493021445 1091174840 /nfs/dbraw/zinc/17/48/40/1091174840.db2.gz JIKQDLBZFSPKHV-OAHLLOKOSA-N 1 3 321.440 2.106 20 0 DEADHO CCCN(C(=O)c1cccc(CC[NH+](C)C)c1)[C@@H]1CCN(C)C1 ZINC001412264828 1091267378 /nfs/dbraw/zinc/26/73/78/1091267378.db2.gz BOPOLKPYHDZNKE-GOSISDBHSA-N 1 3 317.477 2.347 20 0 DEADHO C[N@@H+]1CCC2(C1)CCN(C[C@H]1CCN1C(=O)OC(C)(C)C)CC2 ZINC001274923590 1091475197 /nfs/dbraw/zinc/47/51/97/1091475197.db2.gz XRRZTKNDKZZHFU-OAHLLOKOSA-N 1 3 323.481 2.414 20 0 DEADHO C[N@H+]1CCC2(C1)CCN(C[C@H]1CCN1C(=O)OC(C)(C)C)CC2 ZINC001274923590 1091475206 /nfs/dbraw/zinc/47/52/06/1091475206.db2.gz XRRZTKNDKZZHFU-OAHLLOKOSA-N 1 3 323.481 2.414 20 0 DEADHO CC[C@@H](F)CN(C)CCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001440476642 1091485946 /nfs/dbraw/zinc/48/59/46/1091485946.db2.gz YXHCFGBASYOVGS-MRXNPFEDSA-N 1 3 315.477 2.247 20 0 DEADHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(CCc1cc(F)cc(F)c1)C2 ZINC001274957144 1091491852 /nfs/dbraw/zinc/49/18/52/1091491852.db2.gz GQYZSAXMFZCLIM-QAPCUYQASA-N 1 3 323.431 2.075 20 0 DEADHO C[C@@H]1C[C@@H](NCCc2cc(O)ccc2Br)CC[NH2+]1 ZINC001246502792 1091723132 /nfs/dbraw/zinc/72/31/32/1091723132.db2.gz FYOMSDOVVRDPHE-PWSUYJOCSA-N 1 3 313.239 2.427 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CCc2cc(O)ccc2Br)CCN1 ZINC001246502792 1091723137 /nfs/dbraw/zinc/72/31/37/1091723137.db2.gz FYOMSDOVVRDPHE-PWSUYJOCSA-N 1 3 313.239 2.427 20 0 DEADHO CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001276231942 1091723902 /nfs/dbraw/zinc/72/39/02/1091723902.db2.gz IVNIPCQCPSBTDI-KRWDZBQOSA-N 1 3 323.456 2.412 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC3(CC[N@H+](C)C3)CC2)c1 ZINC001275444122 1091756250 /nfs/dbraw/zinc/75/62/50/1091756250.db2.gz LMYKZQOYKJBXCO-UHFFFAOYSA-N 1 3 315.461 2.306 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC3(CC[N@@H+](C)C3)CC2)c1 ZINC001275444122 1091756256 /nfs/dbraw/zinc/75/62/56/1091756256.db2.gz LMYKZQOYKJBXCO-UHFFFAOYSA-N 1 3 315.461 2.306 20 0 DEADHO CC[C@@H](F)CNCCN(CC)C(=O)C12CCC[NH+](CCC1)C2 ZINC001273449774 1091771949 /nfs/dbraw/zinc/77/19/49/1091771949.db2.gz NFYVRNLNLRPLJJ-OAHLLOKOSA-N 1 3 313.461 2.049 20 0 DEADHO C[NH+](C)CCN1CC[C@@]2(C1)CCCN(Cc1cccnc1F)C2 ZINC001275650552 1091945798 /nfs/dbraw/zinc/94/57/98/1091945798.db2.gz QIVMDZAJXWRHGV-GOSISDBHSA-N 1 3 320.456 2.070 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCC(C)(C)C)C1)C1CC1 ZINC001190653134 1091950005 /nfs/dbraw/zinc/95/00/05/1091950005.db2.gz CEHMJIPXNCDLNZ-JKSUJKDBSA-N 1 3 309.498 2.296 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCC(C)(C)C)C1)C1CC1 ZINC001190653134 1091950013 /nfs/dbraw/zinc/95/00/13/1091950013.db2.gz CEHMJIPXNCDLNZ-JKSUJKDBSA-N 1 3 309.498 2.296 20 0 DEADHO CCN(CC[NH2+]CC[C@@H](C)F)C(=O)[C@@H]1CCCCN1C(C)C ZINC001273646011 1091970986 /nfs/dbraw/zinc/97/09/86/1091970986.db2.gz QLEKWGUPSQPHST-CVEARBPZSA-N 1 3 315.477 2.436 20 0 DEADHO CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCCCN1C ZINC000948932403 1092003832 /nfs/dbraw/zinc/00/38/32/1092003832.db2.gz IZCAVBNVHGDVGO-MSOLQXFVSA-N 1 3 315.461 2.206 20 0 DEADHO CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCCCN1C ZINC000948932403 1092003842 /nfs/dbraw/zinc/00/38/42/1092003842.db2.gz IZCAVBNVHGDVGO-MSOLQXFVSA-N 1 3 315.461 2.206 20 0 DEADHO CC(C)N1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000948987030 1092022775 /nfs/dbraw/zinc/02/27/75/1092022775.db2.gz RYPBKVAXZHBCAR-SJLPKXTDSA-N 1 3 315.461 2.062 20 0 DEADHO CC(C)N1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000948987030 1092022785 /nfs/dbraw/zinc/02/27/85/1092022785.db2.gz RYPBKVAXZHBCAR-SJLPKXTDSA-N 1 3 315.461 2.062 20 0 DEADHO CN(C)CC[N@@H+]1CCCC2(CCN(Cc3ccc[nH]3)CC2)C1 ZINC001275856315 1092237665 /nfs/dbraw/zinc/23/76/65/1092237665.db2.gz XDWHRQOUJUOWNZ-UHFFFAOYSA-N 1 3 304.482 2.254 20 0 DEADHO CN(C)CC[N@H+]1CCCC2(CCN(Cc3ccc[nH]3)CC2)C1 ZINC001275856315 1092237676 /nfs/dbraw/zinc/23/76/76/1092237676.db2.gz XDWHRQOUJUOWNZ-UHFFFAOYSA-N 1 3 304.482 2.254 20 0 DEADHO CN(C)C(=O)C[NH2+][C@@]12CC[C@@](NCc3ccsc3)(C1)CCC2 ZINC001275866242 1092252390 /nfs/dbraw/zinc/25/23/90/1092252390.db2.gz LZRHLDBLVZRCNM-SJORKVTESA-N 1 3 321.490 2.361 20 0 DEADHO CN(C)CC[NH2+][C@@]12CC[C@@](NCc3cccnc3)(C1)CCC2 ZINC001275885992 1092270776 /nfs/dbraw/zinc/27/07/76/1092270776.db2.gz RULKLPISBSKINX-ZWKOTPCHSA-N 1 3 302.466 2.168 20 0 DEADHO C[C@H](CC[NH+](C)C)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC001412043693 1092500998 /nfs/dbraw/zinc/50/09/98/1092500998.db2.gz LSYANGUJUCMNCP-INMHGKMJSA-N 1 3 305.466 2.382 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001488772765 1092744040 /nfs/dbraw/zinc/74/40/40/1092744040.db2.gz MUGKDYVJRDFIGA-NXHRZFHOSA-N 1 3 321.509 2.393 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)CN(C)C(C)C)C2)cc1 ZINC001488803889 1092756995 /nfs/dbraw/zinc/75/69/95/1092756995.db2.gz HXQBNJCLXHXTBY-HDICACEKSA-N 1 3 317.477 2.320 20 0 DEADHO CC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001489208132 1092973727 /nfs/dbraw/zinc/97/37/27/1092973727.db2.gz LUXLGNUKWIKWRL-IBQUMJASSA-N 1 3 321.509 2.463 20 0 DEADHO CC/C=C/CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001489208132 1092973736 /nfs/dbraw/zinc/97/37/36/1092973736.db2.gz LUXLGNUKWIKWRL-IBQUMJASSA-N 1 3 321.509 2.463 20 0 DEADHO CC[C@@H](F)CN(C)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001490212978 1093227795 /nfs/dbraw/zinc/22/77/95/1093227795.db2.gz ATXRMYXWZFLQNT-OAHLLOKOSA-N 1 3 313.461 2.049 20 0 DEADHO C[C@@H](F)CC[NH2+]C[C@@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001671747462 1093864403 /nfs/dbraw/zinc/86/44/03/1093864403.db2.gz INTCNZSRTGOWGG-GDBMZVCRSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]C[C@H]2CCC(F)(F)C2)CC1)N(C)C ZINC001420952613 1171376578 /nfs/dbraw/zinc/37/65/78/1171376578.db2.gz IOXFETLHKTWHQC-QWHCGFSZSA-N 1 3 317.424 2.000 20 0 DEADHO Nc1ccc(CN(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)cn1 ZINC001236564792 1138376262 /nfs/dbraw/zinc/37/62/62/1138376262.db2.gz UDRPVGYCVVQQLG-QAQDUYKDSA-N 1 3 311.433 2.331 20 0 DEADHO COC(=O)c1cc(CN2CCC(C[NH+](C)C)CC2)cc(OC)c1 ZINC001236770413 1138421741 /nfs/dbraw/zinc/42/17/41/1138421741.db2.gz RLHJHPXYGWULDT-UHFFFAOYSA-N 1 3 320.433 2.255 20 0 DEADHO Cc1ncsc1CN1CC[C@H]2[C@@H]1CCN2CCC[NH+](C)C ZINC001278049710 1138501003 /nfs/dbraw/zinc/50/10/03/1138501003.db2.gz OLNPUXHUAYIHBB-GJZGRUSLSA-N 1 3 308.495 2.052 20 0 DEADHO c1c[nH]c(CN2CC[C@H]3C[N@H+](CCN4CCCC4)C[C@H]3CC2)c1 ZINC001278060918 1138515535 /nfs/dbraw/zinc/51/55/35/1138515535.db2.gz ZBZVGWFUQLCVAH-HDICACEKSA-N 1 3 316.493 2.254 20 0 DEADHO c1c[nH]c(CN2CC[C@H]3C[N@@H+](CCN4CCCC4)C[C@H]3CC2)c1 ZINC001278060918 1138515543 /nfs/dbraw/zinc/51/55/43/1138515543.db2.gz ZBZVGWFUQLCVAH-HDICACEKSA-N 1 3 316.493 2.254 20 0 DEADHO CCOC(=O)[C@@H]1CN(Cc2cccc(Cl)c2)CCC12C[NH2+]C2 ZINC001237410182 1138614351 /nfs/dbraw/zinc/61/43/51/1138614351.db2.gz JWWZNSBKCAOSEB-HNNXBMFYSA-N 1 3 322.836 2.315 20 0 DEADHO C[C@@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCC1CC1 ZINC001491579983 1140172457 /nfs/dbraw/zinc/17/24/57/1140172457.db2.gz PJEULYVUMRWBPL-GUYCJALGSA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NC[C@H](C)NCc2ccsc2)CC1 ZINC001491622228 1140211060 /nfs/dbraw/zinc/21/10/60/1140211060.db2.gz ANBZQKMEAFCCJI-AWEZNQCLSA-N 1 3 323.506 2.463 20 0 DEADHO C[NH+](C)CCCC(=O)N1CCC[C@@H]1CNCC=C(Cl)Cl ZINC001319101844 1140504396 /nfs/dbraw/zinc/50/43/96/1140504396.db2.gz HGYKXPMAFUPUFY-GFCCVEGCSA-N 1 3 322.280 2.228 20 0 DEADHO O[C@]1(CNCC2c3ccccc3CCc3ccccc32)CC[NH2+]C1 ZINC001246006945 1140845119 /nfs/dbraw/zinc/84/51/19/1140845119.db2.gz WPJKCGBXZULFPO-OAQYLSRUSA-N 1 3 322.452 2.231 20 0 DEADHO O[C@@]1(CN2CCC(CCc3ccccc3)CC2)CCC[NH2+]C1 ZINC001246046267 1140853084 /nfs/dbraw/zinc/85/30/84/1140853084.db2.gz ZBSSIPPSWMWTQU-IBGZPJMESA-N 1 3 302.462 2.446 20 0 DEADHO F[C@@H]1CNCC[C@@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001246084540 1140858673 /nfs/dbraw/zinc/85/86/73/1140858673.db2.gz FQTXWTURERSQFB-ZRSRNVLSSA-N 1 3 317.452 2.472 20 0 DEADHO F[C@@H]1CNCC[C@@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246084540 1140858675 /nfs/dbraw/zinc/85/86/75/1140858675.db2.gz FQTXWTURERSQFB-ZRSRNVLSSA-N 1 3 317.452 2.472 20 0 DEADHO C[C@H](Cc1c(F)cccc1Cl)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246089643 1140859466 /nfs/dbraw/zinc/85/94/66/1140859466.db2.gz RCCRASLOLOBRCP-WKPIXPDZSA-N 1 3 318.795 2.062 20 0 DEADHO C[C@@H]1CC[C@@H](CN[C@H]2CCN(Cc3ccccc3)C(=O)C2)C[NH2+]1 ZINC001246090401 1140859730 /nfs/dbraw/zinc/85/97/30/1140859730.db2.gz FZWTTYUSMGINNH-NXHRZFHOSA-N 1 3 315.461 2.155 20 0 DEADHO O=C(c1ccccc1)N1CCC[C@@H]([NH2+][C@@H]2CNCC23CC3)CC1 ZINC001246135141 1140865109 /nfs/dbraw/zinc/86/51/09/1140865109.db2.gz STEUZNWNSFQBDX-IAGOWNOFSA-N 1 3 313.445 2.023 20 0 DEADHO C[C@H](CC[NH2+]CC1CC(F)(F)C1)NC(=O)C1(N(C)C)CCC1 ZINC001320444973 1140866660 /nfs/dbraw/zinc/86/66/60/1140866660.db2.gz DFYXFYLBJZVGJS-GFCCVEGCSA-N 1 3 317.424 2.000 20 0 DEADHO Nc1ncc(CC[NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)s1 ZINC001246320175 1140883773 /nfs/dbraw/zinc/88/37/73/1140883773.db2.gz HOOJOJWGLOULQS-GJZGRUSLSA-N 1 3 316.474 2.221 20 0 DEADHO Nc1ncc(CCN[C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)s1 ZINC001246320175 1140883774 /nfs/dbraw/zinc/88/37/74/1140883774.db2.gz HOOJOJWGLOULQS-GJZGRUSLSA-N 1 3 316.474 2.221 20 0 DEADHO COc1ccc(F)c(CN2CCC([NH2+]C3CCNCC3)CC2)c1 ZINC001246359781 1140888055 /nfs/dbraw/zinc/88/80/55/1140888055.db2.gz PAVJZBFTRHNSSJ-UHFFFAOYSA-N 1 3 321.440 2.140 20 0 DEADHO CCN(CCNCc1csc(C)c1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001320737715 1140902039 /nfs/dbraw/zinc/90/20/39/1140902039.db2.gz MKANPNBSMWHMIP-GDBMZVCRSA-N 1 3 323.506 2.335 20 0 DEADHO CCN(CCNCc1csc(C)c1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001320737715 1140902066 /nfs/dbraw/zinc/90/20/66/1140902066.db2.gz MKANPNBSMWHMIP-GDBMZVCRSA-N 1 3 323.506 2.335 20 0 DEADHO CCN(CC[NH2+]Cc1ccc(CF)cc1)C(=O)[C@H]1CCCN1C ZINC001320817254 1140938430 /nfs/dbraw/zinc/93/84/30/1140938430.db2.gz DOGRCPTXLFAHGJ-QGZVFWFLSA-N 1 3 321.440 2.188 20 0 DEADHO CCOC(=O)c1ccc(C[C@H](C)[N@@H+]2CCCNC[C@@H]2C)cc1 ZINC001246569819 1140970253 /nfs/dbraw/zinc/97/02/53/1140970253.db2.gz FCLBDSQHVSLBKE-GJZGRUSLSA-N 1 3 304.434 2.478 20 0 DEADHO CCOC(=O)c1ccc(C[C@H](C)[N@H+]2CCCNC[C@@H]2C)cc1 ZINC001246569819 1140970260 /nfs/dbraw/zinc/97/02/60/1140970260.db2.gz FCLBDSQHVSLBKE-GJZGRUSLSA-N 1 3 304.434 2.478 20 0 DEADHO COC(=O)c1ccc(C[C@H](C)N2C[C@H](C[NH3+])CC[C@@H]2C)cc1 ZINC001246595407 1140996000 /nfs/dbraw/zinc/99/60/00/1140996000.db2.gz ZNGJNOJPSHSNMY-DZKIICNBSA-N 1 3 304.434 2.463 20 0 DEADHO COC(=O)c1ccc(C[C@H](C)[N@@H+]2C[C@H](CN)CC[C@@H]2C)cc1 ZINC001246595407 1140996025 /nfs/dbraw/zinc/99/60/25/1140996025.db2.gz ZNGJNOJPSHSNMY-DZKIICNBSA-N 1 3 304.434 2.463 20 0 DEADHO COC(=O)c1ccc(C[C@H](C)[N@H+]2C[C@H](CN)CC[C@@H]2C)cc1 ZINC001246595407 1140996045 /nfs/dbraw/zinc/99/60/45/1140996045.db2.gz ZNGJNOJPSHSNMY-DZKIICNBSA-N 1 3 304.434 2.463 20 0 DEADHO NC[C@@H]1CCCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC001246595279 1140997685 /nfs/dbraw/zinc/99/76/85/1140997685.db2.gz TTYCCHMNQXPHNE-KRWDZBQOSA-N 1 3 302.466 2.107 20 0 DEADHO NC[C@@H]1CCCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC001246595279 1140997691 /nfs/dbraw/zinc/99/76/91/1140997691.db2.gz TTYCCHMNQXPHNE-KRWDZBQOSA-N 1 3 302.466 2.107 20 0 DEADHO CCCC[C@H](CC(C)C)[N@@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246630605 1141013185 /nfs/dbraw/zinc/01/31/85/1141013185.db2.gz UBMYZVQVTPTBQC-CRAIPNDOSA-N 1 3 307.482 2.003 20 0 DEADHO CCCC[C@H](CC(C)C)[N@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246630605 1141013195 /nfs/dbraw/zinc/01/31/95/1141013195.db2.gz UBMYZVQVTPTBQC-CRAIPNDOSA-N 1 3 307.482 2.003 20 0 DEADHO CCOC(=O)c1ccc(C[C@@H](C)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001246646694 1141022774 /nfs/dbraw/zinc/02/27/74/1141022774.db2.gz HIINSSHOUXCHOH-OLMNPRSZSA-N 1 3 316.445 2.336 20 0 DEADHO COC(=O)[C@@H]1CCN([C@@H]2CC[NH2+][C@@H](C)C2)[C@H]1c1ccccc1 ZINC001246679413 1141033854 /nfs/dbraw/zinc/03/38/54/1141033854.db2.gz WREXALDGGHVLQH-SVGFKBNWSA-N 1 3 302.418 2.363 20 0 DEADHO C[C@H]1C[C@@H]([N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)CCN1 ZINC001246731208 1141045539 /nfs/dbraw/zinc/04/55/39/1141045539.db2.gz VCOFVUYAGFWFNI-DZJNRPSUSA-N 1 3 313.445 2.397 20 0 DEADHO C[C@H]1C[C@@H]([N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)CCN1 ZINC001246731208 1141045548 /nfs/dbraw/zinc/04/55/48/1141045548.db2.gz VCOFVUYAGFWFNI-DZJNRPSUSA-N 1 3 313.445 2.397 20 0 DEADHO c1ccc(OC[C@@]23CCC[C@@H]2C[N@@H+]([C@H]2CCCNC2)C3)nc1 ZINC001246727628 1141046183 /nfs/dbraw/zinc/04/61/83/1141046183.db2.gz QXPIVPWSPJKYOX-RYRKJORJSA-N 1 3 301.434 2.315 20 0 DEADHO c1ccc(OC[C@@]23CCC[C@@H]2C[N@H+]([C@H]2CCCNC2)C3)nc1 ZINC001246727628 1141046193 /nfs/dbraw/zinc/04/61/93/1141046193.db2.gz QXPIVPWSPJKYOX-RYRKJORJSA-N 1 3 301.434 2.315 20 0 DEADHO CC[C@H](C(=O)NC/C=C/C[NH2+]CC1CCC(C)CC1)N(C)C ZINC001321340695 1141183137 /nfs/dbraw/zinc/18/31/37/1141183137.db2.gz YGNSJONZYZNQHJ-LQJDWPSLSA-N 1 3 309.498 2.415 20 0 DEADHO C[NH2+]C1CCC(c2nc(-c3ccc4c(n3)CCNC4)no2)CC1 ZINC001247713442 1141453434 /nfs/dbraw/zinc/45/34/34/1141453434.db2.gz HJDNKDCUSOFJPV-UHFFFAOYSA-N 1 3 313.405 2.023 20 0 DEADHO Cc1ccc(-c2noc(C34CNCC3C[NH2+]C4)n2)c2ccccc12 ZINC001247848703 1141554941 /nfs/dbraw/zinc/55/49/41/1141554941.db2.gz AEKIYXIKIRLQBD-UHFFFAOYSA-N 1 3 320.396 2.259 20 0 DEADHO Cc1cc(C[NH2+]CCCN(C)C(=O)CN2CC[C@@H](C)C2)cs1 ZINC001322695161 1141688147 /nfs/dbraw/zinc/68/81/47/1141688147.db2.gz XIZSKASQEPNPKM-CQSZACIVSA-N 1 3 323.506 2.336 20 0 DEADHO [NH3+]CC1CCC(c2nc(-c3ccc4c(n3)CCNC4)no2)CC1 ZINC001249261350 1141865539 /nfs/dbraw/zinc/86/55/39/1141865539.db2.gz XPSZOUFKCAJPGL-UHFFFAOYSA-N 1 3 313.405 2.010 20 0 DEADHO CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001278556583 1142096267 /nfs/dbraw/zinc/09/62/67/1142096267.db2.gz SDJLIBAZLPCXPP-WMZOPIPTSA-N 1 3 309.498 2.488 20 0 DEADHO C[N@@H+]1CCC[C@H](NC[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC001250681985 1142264016 /nfs/dbraw/zinc/26/40/16/1142264016.db2.gz NDHZRPWVUVHMRT-GJZGRUSLSA-N 1 3 312.841 2.154 20 0 DEADHO C[N@H+]1CCC[C@H](NC[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC001250681985 1142264031 /nfs/dbraw/zinc/26/40/31/1142264031.db2.gz NDHZRPWVUVHMRT-GJZGRUSLSA-N 1 3 312.841 2.154 20 0 DEADHO O=C(NCCCCCC1CC[NH2+]CC1)N[C@@H]1CCN(C2CC2)C1 ZINC001336812053 1142582181 /nfs/dbraw/zinc/58/21/81/1142582181.db2.gz AMEADVOWOYXBTA-MRXNPFEDSA-N 1 3 322.497 2.082 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC001278646128 1142651508 /nfs/dbraw/zinc/65/15/08/1142651508.db2.gz ZAHGGEPOHSCXSX-MRXNPFEDSA-N 1 3 307.482 2.264 20 0 DEADHO CCN(CC)C[C@H](O)C[NH2+]CCN(CC)c1cccc(C)c1 ZINC001253173393 1142849541 /nfs/dbraw/zinc/84/95/41/1142849541.db2.gz CWALJBMYSVFSMD-GOSISDBHSA-N 1 3 307.482 2.114 20 0 DEADHO CCN(CC)C[C@H](O)C[NH2+]CCc1c(F)cccc1Cl ZINC001253175696 1142849884 /nfs/dbraw/zinc/84/98/84/1142849884.db2.gz WIHULSLLCGBKCZ-GFCCVEGCSA-N 1 3 302.821 2.314 20 0 DEADHO CCN(CC)C[C@H](O)C[NH+]1CCC2(COc3ccccc32)CC1 ZINC001253193288 1142852163 /nfs/dbraw/zinc/85/21/63/1142852163.db2.gz GGZUNIWBJIAGCN-INIZCTEOSA-N 1 3 318.461 2.115 20 0 DEADHO CC[NH+](CC)C[C@@H](O)CNC1(Cc2ccc(OC)cc2)CCC1 ZINC001253214110 1142855452 /nfs/dbraw/zinc/85/54/52/1142855452.db2.gz NQLOVFRWNUQNHD-KRWDZBQOSA-N 1 3 320.477 2.453 20 0 DEADHO C[N@H+](CCCN1CCCC1)C[C@H](O)CCOCc1ccccc1 ZINC001253274529 1142860442 /nfs/dbraw/zinc/86/04/42/1142860442.db2.gz JAXPXRNAJXTXLF-LJQANCHMSA-N 1 3 320.477 2.372 20 0 DEADHO C[N@@H+](CCCN1CCCC1)C[C@H](O)CCOCc1ccccc1 ZINC001253274529 1142860443 /nfs/dbraw/zinc/86/04/43/1142860443.db2.gz JAXPXRNAJXTXLF-LJQANCHMSA-N 1 3 320.477 2.372 20 0 DEADHO Cc1ccc2c(CCNC[C@H](O)C[NH2+]C(C)(C)C)c[nH]c2c1 ZINC001253404605 1142869368 /nfs/dbraw/zinc/86/93/68/1142869368.db2.gz ACXGMKZGMLPPLX-HNNXBMFYSA-N 1 3 303.450 2.357 20 0 DEADHO COC[C@@H]1CCC[N@@H+]1CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254029135 1143028324 /nfs/dbraw/zinc/02/83/24/1143028324.db2.gz ARDQTBQEJULXRA-SFHVURJKSA-N 1 3 318.461 2.124 20 0 DEADHO COC[C@@H]1CCC[N@H+]1CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254029135 1143028334 /nfs/dbraw/zinc/02/83/34/1143028334.db2.gz ARDQTBQEJULXRA-SFHVURJKSA-N 1 3 318.461 2.124 20 0 DEADHO C[N@@H+]1CCC[C@H](N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)CC1 ZINC001254521622 1143186785 /nfs/dbraw/zinc/18/67/85/1143186785.db2.gz VTIVPNMBQJNINW-OWCLPIDISA-N 1 3 323.481 2.412 20 0 DEADHO C[N@H+]1CCC[C@H](N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)CC1 ZINC001254521622 1143186808 /nfs/dbraw/zinc/18/68/08/1143186808.db2.gz VTIVPNMBQJNINW-OWCLPIDISA-N 1 3 323.481 2.412 20 0 DEADHO C[N@@H+]1CCC[C@H](N2CCC(NC(=O)C3CCCC3)CC2)CC1 ZINC001254522704 1143203260 /nfs/dbraw/zinc/20/32/60/1143203260.db2.gz JEEZQJAKAZXESG-KRWDZBQOSA-N 1 3 307.482 2.242 20 0 DEADHO C[N@H+]1CCC[C@H](N2CCC(NC(=O)C3CCCC3)CC2)CC1 ZINC001254522704 1143203283 /nfs/dbraw/zinc/20/32/83/1143203283.db2.gz JEEZQJAKAZXESG-KRWDZBQOSA-N 1 3 307.482 2.242 20 0 DEADHO C[NH2+]CCCCC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC001340790461 1143441915 /nfs/dbraw/zinc/44/19/15/1143441915.db2.gz KSRAIHWKKKDELW-AWEZNQCLSA-N 1 3 309.479 2.391 20 0 DEADHO N=c1ncc(CN)cn1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255392008 1143589007 /nfs/dbraw/zinc/58/90/07/1143589007.db2.gz XFUVRIKYLMYGQT-KRWDZBQOSA-N 1 3 311.433 2.048 20 0 DEADHO N=c1ncc(CN)cn1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255392008 1143589014 /nfs/dbraw/zinc/58/90/14/1143589014.db2.gz XFUVRIKYLMYGQT-KRWDZBQOSA-N 1 3 311.433 2.048 20 0 DEADHO CC(C)C[C@@H]([NH3+])CC(=O)NCCCN1CCc2ccccc2C1 ZINC001341663852 1143656644 /nfs/dbraw/zinc/65/66/44/1143656644.db2.gz XBIXICUJQQBJKC-GOSISDBHSA-N 1 3 317.477 2.315 20 0 DEADHO C[NH+]1CCC2(CN([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001255913344 1143814645 /nfs/dbraw/zinc/81/46/45/1143814645.db2.gz BDGVTIIHLQLRGX-HNNXBMFYSA-N 1 3 323.481 2.414 20 0 DEADHO CN1CC[C@@H]2C[N@@H+]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C[C@@H]2C1 ZINC001255911324 1143814779 /nfs/dbraw/zinc/81/47/79/1143814779.db2.gz KOWWGFZKICKEQN-PMPSAXMXSA-N 1 3 323.481 2.269 20 0 DEADHO CN1CC[C@@H]2C[N@H+]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C[C@@H]2C1 ZINC001255911324 1143814780 /nfs/dbraw/zinc/81/47/80/1143814780.db2.gz KOWWGFZKICKEQN-PMPSAXMXSA-N 1 3 323.481 2.269 20 0 DEADHO CCN(CC)CC[C@@H](C)[NH2+]CCCCCCN1C(=O)C=CC1=O ZINC001255944950 1143816021 /nfs/dbraw/zinc/81/60/21/1143816021.db2.gz IGNRTSZUFUGILI-MRXNPFEDSA-N 1 3 323.481 2.182 20 0 DEADHO CC(C)(C)N1CCC([NH+]2CCC3(CCCC(=O)N3)CC2)CC1 ZINC001256571396 1143854633 /nfs/dbraw/zinc/85/46/33/1143854633.db2.gz YPDYNJBAENTACO-UHFFFAOYSA-N 1 3 307.482 2.384 20 0 DEADHO CC(C)(C)N1CCC([NH+]2CCC3(CCNC(=O)O3)CC2)CC1 ZINC001256574564 1143855017 /nfs/dbraw/zinc/85/50/17/1143855017.db2.gz BQPYBWPRIRSIEW-UHFFFAOYSA-N 1 3 309.454 2.214 20 0 DEADHO c1ccc2c(c1)C[C@H]([NH2+]C1CCC(N3CCOCC3)CC1)CO2 ZINC001256675637 1143861209 /nfs/dbraw/zinc/86/12/09/1143861209.db2.gz GOFIWDFZBJBAAZ-ADKAHSJRSA-N 1 3 316.445 2.223 20 0 DEADHO [NH3+]Cc1c(F)cccc1NC1CCC(N2CCOCC2)CC1 ZINC001256677570 1143861527 /nfs/dbraw/zinc/86/15/27/1143861527.db2.gz FQIQPIIKCKKGOL-UHFFFAOYSA-N 1 3 307.413 2.340 20 0 DEADHO Clc1ccncc1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256676689 1143861564 /nfs/dbraw/zinc/86/15/64/1143861564.db2.gz HIFFTRVHNLIOTD-UHFFFAOYSA-N 1 3 309.841 2.468 20 0 DEADHO [NH3+]Cc1cc2ccncc2n1C1CCC(N2CCOCC2)CC1 ZINC001256684014 1143862077 /nfs/dbraw/zinc/86/20/77/1143862077.db2.gz LNZBIDIGWXNSJN-UHFFFAOYSA-N 1 3 314.433 2.311 20 0 DEADHO Cc1ccnc(CC[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256683127 1143862118 /nfs/dbraw/zinc/86/21/18/1143862118.db2.gz SNPFFUXNVXRXIL-UHFFFAOYSA-N 1 3 303.450 2.166 20 0 DEADHO CC[N@H+](CCN1CCCCC1)C1CCC(N2CCOCC2)CC1 ZINC001256695847 1143863078 /nfs/dbraw/zinc/86/30/78/1143863078.db2.gz PTKLDECTGOTNNZ-UHFFFAOYSA-N 1 3 323.525 2.438 20 0 DEADHO CC[N@@H+](CCN1CCCCC1)C1CCC(N2CCOCC2)CC1 ZINC001256695847 1143863080 /nfs/dbraw/zinc/86/30/80/1143863080.db2.gz PTKLDECTGOTNNZ-UHFFFAOYSA-N 1 3 323.525 2.438 20 0 DEADHO CCOC(=O)[C@@]12C[C@@H]1CCN2C1CCN(c2cc[nH+]cc2)CC1 ZINC001256856888 1143870984 /nfs/dbraw/zinc/87/09/84/1143870984.db2.gz NICKNIQIWAALAE-KBXCAEBGSA-N 1 3 315.417 2.078 20 0 DEADHO O[C@]1(C(F)(F)F)CCN(C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256856393 1143871054 /nfs/dbraw/zinc/87/10/54/1143871054.db2.gz IAEYZABLOGYVGZ-CQSZACIVSA-N 1 3 315.339 2.050 20 0 DEADHO CC(C)C(=O)N1CC[C@H]2CN(C3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC001257217595 1143893988 /nfs/dbraw/zinc/89/39/88/1143893988.db2.gz UPKFTBNCPPUPPT-WMZOPIPTSA-N 1 3 321.509 2.438 20 0 DEADHO COc1ccc2cc(CC[C@H](C)NC[C@H](O)C[NH3+])ccc2c1 ZINC001257268847 1143896264 /nfs/dbraw/zinc/89/62/64/1143896264.db2.gz IIJWQDRFFRISPT-SUMWQHHRSA-N 1 3 302.418 2.079 20 0 DEADHO CC(C)CN1CCC([NH2+]CCNC(=O)c2cccs2)CC1 ZINC001258009233 1143965059 /nfs/dbraw/zinc/96/50/59/1143965059.db2.gz SIFNHKLLLABETG-UHFFFAOYSA-N 1 3 309.479 2.188 20 0 DEADHO CN(C)C[C@@H](NC(=O)CCCCCC[NH3+])c1ccc(F)cc1 ZINC001263347266 1144371124 /nfs/dbraw/zinc/37/11/24/1144371124.db2.gz KPHLTIVBZMNHMY-MRXNPFEDSA-N 1 3 309.429 2.454 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[N@@H+](C)CC1CC(C)(C)C1 ZINC001265062075 1144635392 /nfs/dbraw/zinc/63/53/92/1144635392.db2.gz IIHWVXFJYFKRBN-UHFFFAOYSA-N 1 3 306.454 2.135 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[N@H+](C)CC1CC(C)(C)C1 ZINC001265062075 1144635393 /nfs/dbraw/zinc/63/53/93/1144635393.db2.gz IIHWVXFJYFKRBN-UHFFFAOYSA-N 1 3 306.454 2.135 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C1)N(C)C ZINC001265544860 1144710638 /nfs/dbraw/zinc/71/06/38/1144710638.db2.gz PKWINFCYCOCLLJ-BBWFWOEESA-N 1 3 309.498 2.390 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCCC2CCC2)C1)N(C)C ZINC001265941803 1144764104 /nfs/dbraw/zinc/76/41/04/1144764104.db2.gz LICKTDSZIBRZNL-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)=CC[NH+]1CCC(N(C)C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001266194673 1144812902 /nfs/dbraw/zinc/81/29/02/1144812902.db2.gz FBNLQXXQXLGVTI-QGZVFWFLSA-N 1 3 309.498 2.462 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2CC[C@H](C[NH2+]CCC3CC3)CC2)C1 ZINC001280374495 1144837239 /nfs/dbraw/zinc/83/72/39/1144837239.db2.gz ZCZZCOCCTMNIMC-SZMVWBNQSA-N 1 3 321.509 2.393 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CCC[NH2+]Cc1ccccc1 ZINC001283268959 1145341393 /nfs/dbraw/zinc/34/13/93/1145341393.db2.gz OPFKTFRMAXSUST-CQSZACIVSA-N 1 3 314.433 2.335 20 0 DEADHO C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001364640233 1145395817 /nfs/dbraw/zinc/39/58/17/1145395817.db2.gz PGQKVOKJOGHWMN-YALNPMBYSA-N 1 3 301.434 2.334 20 0 DEADHO CCO[C@@H](CNC1CC(c2cccc(OC)c2)C1)C[NH+](C)C ZINC001364724352 1145507631 /nfs/dbraw/zinc/50/76/31/1145507631.db2.gz LYOMDSHVVOOYQE-HTWSVDAQSA-N 1 3 306.450 2.498 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001365111302 1145803718 /nfs/dbraw/zinc/80/37/18/1145803718.db2.gz OIMUYAOCBXWXLK-SJORKVTESA-N 1 3 322.497 2.034 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001365111302 1145803720 /nfs/dbraw/zinc/80/37/20/1145803720.db2.gz OIMUYAOCBXWXLK-SJORKVTESA-N 1 3 322.497 2.034 20 0 DEADHO C[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)CCO1 ZINC001365355228 1145856654 /nfs/dbraw/zinc/85/66/54/1145856654.db2.gz RVOPEBWQPWOREK-QFBILLFUSA-N 1 3 317.477 2.091 20 0 DEADHO CN(C)C1(C(=O)NCC2=CC[N@H+](CC3CCCC3)CC2)CCC1 ZINC001284921773 1145972280 /nfs/dbraw/zinc/97/22/80/1145972280.db2.gz XWOIWGQBEFFHPY-UHFFFAOYSA-N 1 3 319.493 2.409 20 0 DEADHO CN(C)C1(C(=O)NCC2=CC[N@@H+](CC3CCCC3)CC2)CCC1 ZINC001284921773 1145972288 /nfs/dbraw/zinc/97/22/88/1145972288.db2.gz XWOIWGQBEFFHPY-UHFFFAOYSA-N 1 3 319.493 2.409 20 0 DEADHO C[C@@H](NCCF)[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001365925524 1146912434 /nfs/dbraw/zinc/91/24/34/1146912434.db2.gz IUZHQCODGHJNTN-HZPDHXFCSA-N 1 3 313.461 2.191 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]C/C=C/Cl)CCC1 ZINC001421748792 1171959791 /nfs/dbraw/zinc/95/97/91/1171959791.db2.gz TWFXOZPYTMRGPB-KVEVGEHQSA-N 1 3 313.873 2.242 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC12CC[NH+](CCC(C)C)CC2)N(C)C ZINC001366004040 1147003871 /nfs/dbraw/zinc/00/38/71/1147003871.db2.gz DAICXGZCCBEMNM-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](N[C@H](CNC(=O)CC[NH+](C)C)C1CC1)c1ccccc1F ZINC001366061398 1147033821 /nfs/dbraw/zinc/03/38/21/1147033821.db2.gz NKTYRVSZIJZICR-CXAGYDPISA-N 1 3 321.440 2.323 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2F)C1)N(C)C ZINC001366125018 1147067392 /nfs/dbraw/zinc/06/73/92/1147067392.db2.gz HLNGMZIONPMXAD-WBOJAVRRSA-N 1 3 321.440 2.464 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@@H]2CCC[N@H+](CC3CCCC3)C2)C1 ZINC001366179615 1147096978 /nfs/dbraw/zinc/09/69/78/1147096978.db2.gz MDYVOZBSTRNULO-WMZOPIPTSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@@H]2CCC[N@@H+](CC3CCCC3)C2)C1 ZINC001366179615 1147096986 /nfs/dbraw/zinc/09/69/86/1147096986.db2.gz MDYVOZBSTRNULO-WMZOPIPTSA-N 1 3 321.509 2.347 20 0 DEADHO CN(C)C1(C(=O)NC2CCC([NH2+]CC3CCC3)CC2)CCC1 ZINC001366240349 1147148133 /nfs/dbraw/zinc/14/81/33/1147148133.db2.gz AKHBKKIKLOTGSO-UHFFFAOYSA-N 1 3 307.482 2.288 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001366352728 1147229806 /nfs/dbraw/zinc/22/98/06/1147229806.db2.gz NNKCTRYEZBEFFU-CJNGLKHVSA-N 1 3 309.429 2.091 20 0 DEADHO C[C@@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)NCc1nccs1 ZINC001366468498 1147297754 /nfs/dbraw/zinc/29/77/54/1147297754.db2.gz AEBAUIXUVNKTOD-ZDUSSCGKSA-N 1 3 324.494 2.002 20 0 DEADHO CC(C)[C@H](C(=O)NCC[N@H+](C)CC1CCC(C)CC1)N(C)C ZINC001366557611 1147350937 /nfs/dbraw/zinc/35/09/37/1147350937.db2.gz JYNIRVISAORDOY-OFLPRAFFSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)[C@H](C(=O)NCC[N@@H+](C)CC1CCC(C)CC1)N(C)C ZINC001366557611 1147350942 /nfs/dbraw/zinc/35/09/42/1147350942.db2.gz JYNIRVISAORDOY-OFLPRAFFSA-N 1 3 311.514 2.447 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001366562059 1147354878 /nfs/dbraw/zinc/35/48/78/1147354878.db2.gz AUKFAQGXYVXTFL-WMZOPIPTSA-N 1 3 317.477 2.273 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC001366562059 1147354884 /nfs/dbraw/zinc/35/48/84/1147354884.db2.gz AUKFAQGXYVXTFL-WMZOPIPTSA-N 1 3 317.477 2.273 20 0 DEADHO Cc1ccc(C)c(CN(C)CCNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001366565951 1147359153 /nfs/dbraw/zinc/35/91/53/1147359153.db2.gz YOVQGSSRBJQMEJ-UHFFFAOYSA-N 1 3 317.477 2.193 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+](CC2CCCC2)C1)N(C)C ZINC001366686859 1147482968 /nfs/dbraw/zinc/48/29/68/1147482968.db2.gz CROFOWQNXXZNRG-DLBZAZTESA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](CC2CCCC2)C1)N(C)C ZINC001366686859 1147482976 /nfs/dbraw/zinc/48/29/76/1147482976.db2.gz CROFOWQNXXZNRG-DLBZAZTESA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001366700859 1147493575 /nfs/dbraw/zinc/49/35/75/1147493575.db2.gz TWFMQMOLCOCIDU-MRXNPFEDSA-N 1 3 311.514 2.449 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001366700859 1147493586 /nfs/dbraw/zinc/49/35/86/1147493586.db2.gz TWFMQMOLCOCIDU-MRXNPFEDSA-N 1 3 311.514 2.449 20 0 DEADHO Cc1ccccc1CN1CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001366985186 1147628511 /nfs/dbraw/zinc/62/85/11/1147628511.db2.gz LNADFAQOLRYORU-SFHVURJKSA-N 1 3 317.477 2.129 20 0 DEADHO CC(C)CC[NH2+]C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001317153149 1147667390 /nfs/dbraw/zinc/66/73/90/1147667390.db2.gz WSBMUQBTLSZACI-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1)N(C)C ZINC001367400033 1147689209 /nfs/dbraw/zinc/68/92/09/1147689209.db2.gz LLLGLWAWHDORHD-RDJZCZTQSA-N 1 3 305.466 2.209 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC(CC[N@H+](C)CC2CC2)CC1 ZINC001367439325 1147694145 /nfs/dbraw/zinc/69/41/45/1147694145.db2.gz PEKDBIABAZRYGG-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC(CC[N@@H+](C)CC2CC2)CC1 ZINC001367439325 1147694147 /nfs/dbraw/zinc/69/41/47/1147694147.db2.gz PEKDBIABAZRYGG-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CC1CCC1 ZINC001367455474 1147696095 /nfs/dbraw/zinc/69/60/95/1147696095.db2.gz WYCYJWUZXBGXJK-WBVHZDCISA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC1CCC2(CC2)CC1)N(C)C ZINC001367766305 1147740000 /nfs/dbraw/zinc/74/00/00/1147740000.db2.gz DATPSTFPFXKGMV-GOEBONIOSA-N 1 3 309.498 2.391 20 0 DEADHO CCCCCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CCC)C[C@@H]2C1 ZINC001325766171 1147997027 /nfs/dbraw/zinc/99/70/27/1147997027.db2.gz HYUAPTSUCDEULK-CALCHBBNSA-N 1 3 309.498 2.299 20 0 DEADHO CCCCCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CCC)C[C@@H]2C1 ZINC001325766171 1147997031 /nfs/dbraw/zinc/99/70/31/1147997031.db2.gz HYUAPTSUCDEULK-CALCHBBNSA-N 1 3 309.498 2.299 20 0 DEADHO C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](CNC/C(Cl)=C/Cl)C1 ZINC001369416854 1148956583 /nfs/dbraw/zinc/95/65/83/1148956583.db2.gz HLKUKTYLIDJIHJ-KCWVNHISSA-N 1 3 322.280 2.132 20 0 DEADHO Cc1ccc(NC(=O)[C@H]2CCC[NH2+][C@H]2C)c(OCCN(C)C)c1 ZINC000423411324 230499211 /nfs/dbraw/zinc/49/92/11/230499211.db2.gz FLWDALUAUBKYQM-GJZGRUSLSA-N 1 3 319.449 2.262 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000416896782 282147830 /nfs/dbraw/zinc/14/78/30/282147830.db2.gz WOUBFHLNKPMIIJ-SJORKVTESA-N 1 3 318.465 2.065 20 0 DEADHO Cc1ncc2c(n1)CC[C@H](NC1CC[NH+](C(C)(C)C)CC1)C2 ZINC000371983988 282173605 /nfs/dbraw/zinc/17/36/05/282173605.db2.gz LJKIKGPLZQHYOD-INIZCTEOSA-N 1 3 302.466 2.495 20 0 DEADHO CC[C@@H]([NH3+])CNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000417688163 529559769 /nfs/dbraw/zinc/55/97/69/529559769.db2.gz IOZUKSKZLOXIBV-GDBMZVCRSA-N 1 3 318.465 2.249 20 0 DEADHO CC[C@H](NCC1(N(C)C)Cc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422780632 529591292 /nfs/dbraw/zinc/59/12/92/529591292.db2.gz JOMVVLJVQXWYAQ-ROUUACIJSA-N 1 3 301.478 2.206 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)N[C@@H](C)C[NH3+])N(CC)CC)cc1 ZINC000418208289 529708717 /nfs/dbraw/zinc/70/87/17/529708717.db2.gz DAFDABLEBLIOIU-WMLDXEAASA-N 1 3 320.481 2.278 20 0 DEADHO CCOC(=O)N1CCC([C@@H](C)[NH2+]CCCN2CCCC2)CC1 ZINC000186410873 282275832 /nfs/dbraw/zinc/27/58/32/282275832.db2.gz JZOOEJWJLVPCFU-OAHLLOKOSA-N 1 3 311.470 2.319 20 0 DEADHO COc1cc(NCCN[C@@H]2CC[N@H+](C)[C@H](C)C2)cc(OC)c1 ZINC000181604335 199326356 /nfs/dbraw/zinc/32/63/56/199326356.db2.gz MUVMAXOQOKYCLA-ZIAGYGMSSA-N 1 3 307.438 2.188 20 0 DEADHO COc1cc(NCCN[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(OC)c1 ZINC000181604335 199326358 /nfs/dbraw/zinc/32/63/58/199326358.db2.gz MUVMAXOQOKYCLA-ZIAGYGMSSA-N 1 3 307.438 2.188 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N[C@H]1CCN(CC2CC2)C1)C(C)C ZINC000080700630 539378994 /nfs/dbraw/zinc/37/89/94/539378994.db2.gz HFUXHLNSUQKDGN-KRWDZBQOSA-N 1 3 324.513 2.279 20 0 DEADHO CC[C@H]1CN(C)CCCN1C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000614333003 362351917 /nfs/dbraw/zinc/35/19/17/362351917.db2.gz XVCZVSBLIVEABH-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO CNCc1ccccc1NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000422564829 530010579 /nfs/dbraw/zinc/01/05/79/530010579.db2.gz KCMKNJGHCNOSDK-UHFFFAOYSA-N 1 3 304.438 2.400 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC(C[NH+](C)C)C1 ZINC000615510659 362623232 /nfs/dbraw/zinc/62/32/32/362623232.db2.gz REHMVYGNKGOYEM-UHFFFAOYSA-N 1 3 315.417 2.128 20 0 DEADHO COC[C@@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)C1CC1 ZINC000132833536 539504798 /nfs/dbraw/zinc/50/47/98/539504798.db2.gz ZCVHYFONKFUGJM-LJQANCHMSA-N 1 3 318.461 2.158 20 0 DEADHO CC(C)(C)[NH+]1CCC(NC(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000193845843 539716412 /nfs/dbraw/zinc/71/64/12/539716412.db2.gz VPIHZJKDIRYHGB-UHFFFAOYSA-N 1 3 322.497 2.175 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000155700132 186104215 /nfs/dbraw/zinc/10/42/15/186104215.db2.gz VVLFUROCXPXYNL-YOEHRIQHSA-N 1 3 321.465 2.007 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](N)Cc1ccccc1)CC(C)C ZINC000164406293 186158537 /nfs/dbraw/zinc/15/85/37/186158537.db2.gz CTWRPSSUZUXLOM-MSOLQXFVSA-N 1 3 319.493 2.429 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC1OCCO1 ZINC000189948394 186253268 /nfs/dbraw/zinc/25/32/68/186253268.db2.gz BROPHUGTEXJZDH-MVVMVCHASA-N 1 3 304.434 2.106 20 0 DEADHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)C[C@@H](O)COC(C)C ZINC000626062190 366032095 /nfs/dbraw/zinc/03/20/95/366032095.db2.gz KWCCFLXRPLPPKD-GOSISDBHSA-N 1 3 308.466 2.356 20 0 DEADHO CC[N@H+](Cc1ccc(CN(C)C)cc1)C[C@@H](O)COC(C)C ZINC000626062190 366032100 /nfs/dbraw/zinc/03/21/00/366032100.db2.gz KWCCFLXRPLPPKD-GOSISDBHSA-N 1 3 308.466 2.356 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)N1CCCCC1 ZINC000617350656 363104845 /nfs/dbraw/zinc/10/48/45/363104845.db2.gz AHJAPCFJPFNSMJ-HZPDHXFCSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)N1CCCCC1 ZINC000617350656 363104848 /nfs/dbraw/zinc/10/48/48/363104848.db2.gz AHJAPCFJPFNSMJ-HZPDHXFCSA-N 1 3 309.498 2.486 20 0 DEADHO CN(C(=O)C1([NH3+])CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309752102 539879115 /nfs/dbraw/zinc/87/91/15/539879115.db2.gz ZUIBNCWDEMBUFI-QGZVFWFLSA-N 1 3 315.461 2.381 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCC(=O)NCCN(C)Cc1ccccc1 ZINC000339259802 539987929 /nfs/dbraw/zinc/98/79/29/539987929.db2.gz YWPDTMLJJVUKNI-KRWDZBQOSA-N 1 3 317.477 2.499 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCC(=O)NCCN(C)Cc1ccccc1 ZINC000339259802 539987931 /nfs/dbraw/zinc/98/79/31/539987931.db2.gz YWPDTMLJJVUKNI-KRWDZBQOSA-N 1 3 317.477 2.499 20 0 DEADHO CC[C@H](F)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001421944552 1172167350 /nfs/dbraw/zinc/16/73/50/1172167350.db2.gz WJISWOYAAQKDGE-GJZGRUSLSA-N 1 3 313.461 2.190 20 0 DEADHO CCCN(C)CC(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000358553266 535250063 /nfs/dbraw/zinc/25/00/63/535250063.db2.gz FJPJCGMSROIATE-UHFFFAOYSA-N 1 3 305.466 2.486 20 0 DEADHO C[NH+](C)[C@H](CNC(=O)NCCN1CCCCC1)C1CCCCC1 ZINC000045196277 354251497 /nfs/dbraw/zinc/25/14/97/354251497.db2.gz FUWAPJLYBYXHNL-QGZVFWFLSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C2CCN(C)CC2)C1 ZINC000073034649 354938418 /nfs/dbraw/zinc/93/84/18/354938418.db2.gz WTGBETBSQIOYPU-HUUCEWRRSA-N 1 3 309.498 2.201 20 0 DEADHO Cc1cccc(CN(CCN(C)C)C(=O)C2CC[NH+](C)CC2)c1 ZINC000073377531 354956678 /nfs/dbraw/zinc/95/66/78/354956678.db2.gz LCZCTXDRZMJMKZ-UHFFFAOYSA-N 1 3 317.477 2.227 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000073474330 354961869 /nfs/dbraw/zinc/96/18/69/354961869.db2.gz POCDNPSOTKLBGI-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1CCCCC1 ZINC000074504258 355034142 /nfs/dbraw/zinc/03/41/42/355034142.db2.gz IPSBTBFRVQYCQO-HNNXBMFYSA-N 1 3 312.502 2.090 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000079097267 355296009 /nfs/dbraw/zinc/29/60/09/355296009.db2.gz ZULCISUJKWUPMN-MRXNPFEDSA-N 1 3 324.513 2.138 20 0 DEADHO CC1CC[NH+](CCCNC(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000078948050 355287726 /nfs/dbraw/zinc/28/77/26/355287726.db2.gz GOIJTHHQWDBJRS-KRWDZBQOSA-N 1 3 324.513 2.140 20 0 DEADHO COc1cc(OC)cc(OCCN[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000090453129 355562222 /nfs/dbraw/zinc/56/22/22/355562222.db2.gz IZFFADVHBYZBSR-DYVFJYSZSA-N 1 3 308.422 2.012 20 0 DEADHO COc1cc(OC)cc(OCCN[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000090453129 355562225 /nfs/dbraw/zinc/56/22/25/355562225.db2.gz IZFFADVHBYZBSR-DYVFJYSZSA-N 1 3 308.422 2.012 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1)N(C)Cc1ccccc1 ZINC000417591723 540167246 /nfs/dbraw/zinc/16/72/46/540167246.db2.gz SLHMGVFILOAOCV-HYVNUMGLSA-N 1 3 318.465 2.076 20 0 DEADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccccc1N(C)C ZINC000093942313 355691237 /nfs/dbraw/zinc/69/12/37/355691237.db2.gz FBVQKXOSCKVHDZ-QGZVFWFLSA-N 1 3 318.509 2.431 20 0 DEADHO CC[C@@H](N)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000130413638 355842160 /nfs/dbraw/zinc/84/21/60/355842160.db2.gz PXMSJOMEVFDWBC-QGZVFWFLSA-N 1 3 303.450 2.272 20 0 DEADHO CC(=O)N1CC[C@@H](NCC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000152866345 355935247 /nfs/dbraw/zinc/93/52/47/355935247.db2.gz NFIIXHZTFJRLKH-GOSISDBHSA-N 1 3 317.477 2.355 20 0 DEADHO CC(=O)N1CC[C@@H](NCC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000152866345 355935252 /nfs/dbraw/zinc/93/52/52/355935252.db2.gz NFIIXHZTFJRLKH-GOSISDBHSA-N 1 3 317.477 2.355 20 0 DEADHO CCC[NH+]1CCC(N(C)C(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000171039053 355996030 /nfs/dbraw/zinc/99/60/30/355996030.db2.gz AWJDJJBFMSRXDC-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO CN(C)Cc1cccc(C(=O)N(C2CC2)C2CC[NH2+]CC2)c1 ZINC000370787654 283135270 /nfs/dbraw/zinc/13/52/70/283135270.db2.gz OJZNTHMHLFSMPD-UHFFFAOYSA-N 1 3 301.434 2.105 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000184836863 356199014 /nfs/dbraw/zinc/19/90/14/356199014.db2.gz DZIOWZPZFNSSHO-IRXDYDNUSA-N 1 3 324.513 2.425 20 0 DEADHO C[C@@H](c1ccccc1F)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000195519286 356254908 /nfs/dbraw/zinc/25/49/08/356254908.db2.gz YZALUFJSZZKAKS-AWEZNQCLSA-N 1 3 321.440 2.277 20 0 DEADHO CC(C)[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[C@@H](C)[NH3+] ZINC000399366595 283151985 /nfs/dbraw/zinc/15/19/85/283151985.db2.gz JICLCWWYRSHLJW-QAPCUYQASA-N 1 3 317.477 2.387 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)[C@H](C)[NH3+] ZINC000399358380 283152067 /nfs/dbraw/zinc/15/20/67/283152067.db2.gz GLYWBFMFSLMAGH-ONIAQPFYSA-N 1 3 317.477 2.243 20 0 DEADHO O=C(CNC1CC1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000238167715 356303018 /nfs/dbraw/zinc/30/30/18/356303018.db2.gz IXHVDSAIUWTUJY-UHFFFAOYSA-N 1 3 301.434 2.041 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@@H](C)[NH3+] ZINC000399540297 283153386 /nfs/dbraw/zinc/15/33/86/283153386.db2.gz WLMAFXVSKMJJSU-AHCXZYCDSA-N 1 3 317.477 2.385 20 0 DEADHO O[C@@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)COc1ccccc1Cl ZINC000314551630 356417673 /nfs/dbraw/zinc/41/76/73/356417673.db2.gz KOPFYTLPBBABAJ-ZFWWWQNUSA-N 1 3 324.852 2.154 20 0 DEADHO O[C@@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)COc1ccccc1Cl ZINC000314551630 356417675 /nfs/dbraw/zinc/41/76/75/356417675.db2.gz KOPFYTLPBBABAJ-ZFWWWQNUSA-N 1 3 324.852 2.154 20 0 DEADHO O[C@@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)COc1ccccc1Cl ZINC000314551630 356417677 /nfs/dbraw/zinc/41/76/77/356417677.db2.gz KOPFYTLPBBABAJ-ZFWWWQNUSA-N 1 3 324.852 2.154 20 0 DEADHO CN(C)CCOc1ccc(NC(=O)CC[C@H]2CCC[NH2+]C2)cc1 ZINC000320828301 356447175 /nfs/dbraw/zinc/44/71/75/356447175.db2.gz NGHRSGGKAYJIMJ-OAHLLOKOSA-N 1 3 319.449 2.345 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](N)C(C)(C)C)Cc1ccccc1 ZINC000236826608 202028965 /nfs/dbraw/zinc/02/89/65/202028965.db2.gz XFRUQMSERRFKAV-IAGOWNOFSA-N 1 3 319.493 2.429 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000236883677 202052131 /nfs/dbraw/zinc/05/21/31/202052131.db2.gz LYODFYVQFZUEJI-NXHRZFHOSA-N 1 3 317.477 2.340 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000236883677 202052134 /nfs/dbraw/zinc/05/21/34/202052134.db2.gz LYODFYVQFZUEJI-NXHRZFHOSA-N 1 3 317.477 2.340 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000236914786 202068106 /nfs/dbraw/zinc/06/81/06/202068106.db2.gz ZAUWLXFSPYABSC-KDOFPFPSSA-N 1 3 317.477 2.449 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000236929591 202077594 /nfs/dbraw/zinc/07/75/94/202077594.db2.gz REJOVHKGGAGSKK-VYDXJSESSA-N 1 3 305.466 2.387 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000236929591 202077598 /nfs/dbraw/zinc/07/75/98/202077598.db2.gz REJOVHKGGAGSKK-VYDXJSESSA-N 1 3 305.466 2.387 20 0 DEADHO C[C@H]1C[C@@H](c2nc(CC3=N[C@H]4CCCC[C@@H]4N3)no2)CC[N@@H+]1C ZINC000351277185 356647090 /nfs/dbraw/zinc/64/70/90/356647090.db2.gz MUHLAVABPXPINW-XUXIUFHCSA-N 1 3 317.437 2.123 20 0 DEADHO C[C@H]1C[C@@H](c2nc(CC3=N[C@H]4CCCC[C@@H]4N3)no2)CC[N@H+]1C ZINC000351277185 356647096 /nfs/dbraw/zinc/64/70/96/356647096.db2.gz MUHLAVABPXPINW-XUXIUFHCSA-N 1 3 317.437 2.123 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000237046897 202133534 /nfs/dbraw/zinc/13/35/34/202133534.db2.gz MLNCLGJEOUYAMI-CYBMUJFWSA-N 1 3 315.417 2.224 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000382728358 356678049 /nfs/dbraw/zinc/67/80/49/356678049.db2.gz XECFGVYSVNQKCY-AEFFLSMTSA-N 1 3 315.461 2.252 20 0 DEADHO C[C@H]1C[C@H](NC(=O)CC[NH2+]C2CC2)CCN1Cc1ccccc1 ZINC000379670600 356668563 /nfs/dbraw/zinc/66/85/63/356668563.db2.gz JBPMMFAHASYCHI-MAUKXSAKSA-N 1 3 315.461 2.298 20 0 DEADHO CC(C)(C)C(=O)N1CCC([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000393407723 356713499 /nfs/dbraw/zinc/71/34/99/356713499.db2.gz WPLOHGAFVWISED-CVEARBPZSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)(C)C(=O)N1CCC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000393407723 356713500 /nfs/dbraw/zinc/71/35/00/356713500.db2.gz WPLOHGAFVWISED-CVEARBPZSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)(C)C(=O)N1CCC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000393407723 356713501 /nfs/dbraw/zinc/71/35/01/356713501.db2.gz WPLOHGAFVWISED-CVEARBPZSA-N 1 3 307.482 2.240 20 0 DEADHO C[N@H+](C[C@@H](O)CNCC1(c2ccc(F)cc2F)CC1)C1CC1 ZINC000578064169 356755471 /nfs/dbraw/zinc/75/54/71/356755471.db2.gz XELDAYFMMUIBCC-AWEZNQCLSA-N 1 3 310.388 2.041 20 0 DEADHO C[N@@H+](C[C@@H](O)CNCC1(c2ccc(F)cc2F)CC1)C1CC1 ZINC000578064169 356755474 /nfs/dbraw/zinc/75/54/74/356755474.db2.gz XELDAYFMMUIBCC-AWEZNQCLSA-N 1 3 310.388 2.041 20 0 DEADHO CN1CCC(CC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000618665623 363566962 /nfs/dbraw/zinc/56/69/62/363566962.db2.gz LVHNUVCZUCSDGK-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CN1CCC(CC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000618665623 363566966 /nfs/dbraw/zinc/56/69/66/363566966.db2.gz LVHNUVCZUCSDGK-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](C)[C@H]3C)CC2)CC1 ZINC000578377350 356806329 /nfs/dbraw/zinc/80/63/29/356806329.db2.gz MLKCEFCYYXBZIQ-HZPDHXFCSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[NH2+]CCCN[C@@H](C)CCN1C(=O)c2ccccc2C1=O ZINC000578518520 356830334 /nfs/dbraw/zinc/83/03/34/356830334.db2.gz OGACZWBYHLHIME-AWEZNQCLSA-N 1 3 317.433 2.039 20 0 DEADHO CC(C)NCCC[NH2+][C@@H](C)CCN1C(=O)c2ccccc2C1=O ZINC000578518520 356830338 /nfs/dbraw/zinc/83/03/38/356830338.db2.gz OGACZWBYHLHIME-AWEZNQCLSA-N 1 3 317.433 2.039 20 0 DEADHO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000578236101 356784768 /nfs/dbraw/zinc/78/47/68/356784768.db2.gz VLMOOQMRBVESHN-INIZCTEOSA-N 1 3 317.433 2.372 20 0 DEADHO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000578236101 356784772 /nfs/dbraw/zinc/78/47/72/356784772.db2.gz VLMOOQMRBVESHN-INIZCTEOSA-N 1 3 317.433 2.372 20 0 DEADHO COC[C@@H](O)CNCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000579111047 356923282 /nfs/dbraw/zinc/92/32/82/356923282.db2.gz RJMLRTHWNDXTAT-SFHVURJKSA-N 1 3 306.450 2.015 20 0 DEADHO CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000579228035 356941408 /nfs/dbraw/zinc/94/14/08/356941408.db2.gz TUPYQHQZGZRYHG-HOCLYGCPSA-N 1 3 303.450 2.171 20 0 DEADHO CC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000579228035 356941411 /nfs/dbraw/zinc/94/14/11/356941411.db2.gz TUPYQHQZGZRYHG-HOCLYGCPSA-N 1 3 303.450 2.171 20 0 DEADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000579471315 356979604 /nfs/dbraw/zinc/97/96/04/356979604.db2.gz SUPQAFQFHAULEO-KGLIPLIRSA-N 1 3 324.444 2.025 20 0 DEADHO CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000360120168 283233509 /nfs/dbraw/zinc/23/35/09/283233509.db2.gz STDZHADFPMJJDP-JKSUJKDBSA-N 1 3 312.502 2.233 20 0 DEADHO O=C1NCC[C@H]1CCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000579854696 357043998 /nfs/dbraw/zinc/04/39/98/357043998.db2.gz IRFNHUQLSWXAAW-SJORKVTESA-N 1 3 307.482 2.101 20 0 DEADHO O=C(Nc1cccc2c1CCNC2)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000581358342 357173554 /nfs/dbraw/zinc/17/35/54/357173554.db2.gz DURQVRPKKHWGRF-OAHLLOKOSA-N 1 3 314.433 2.034 20 0 DEADHO CCc1ccc([C@H](CNC(=O)CC[NH2+]C2CC2)N(C)C)cc1 ZINC000584731379 357300226 /nfs/dbraw/zinc/30/02/26/357300226.db2.gz YCHKLEJBPFGIKK-KRWDZBQOSA-N 1 3 303.450 2.110 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000449347746 283274715 /nfs/dbraw/zinc/27/47/15/283274715.db2.gz IOYXUASDPUABRV-RVKKMQEKSA-N 1 3 315.461 2.184 20 0 DEADHO CCOC(=O)c1cc(CNCCCC[N@@H+]2CCCC[C@H]2C)[nH]n1 ZINC000592502490 357888176 /nfs/dbraw/zinc/88/81/76/357888176.db2.gz XEVBGXACPSZGPN-CQSZACIVSA-N 1 3 322.453 2.331 20 0 DEADHO CCOC(=O)c1cc(CNCCCC[N@H+]2CCCC[C@H]2C)[nH]n1 ZINC000592502490 357888179 /nfs/dbraw/zinc/88/81/79/357888179.db2.gz XEVBGXACPSZGPN-CQSZACIVSA-N 1 3 322.453 2.331 20 0 DEADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000661404852 540319710 /nfs/dbraw/zinc/31/97/10/540319710.db2.gz SBPPWGTWEAKTEF-BZUAXINKSA-N 1 3 322.497 2.127 20 0 DEADHO CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CCN(CCC)C1 ZINC000666923224 540363076 /nfs/dbraw/zinc/36/30/76/540363076.db2.gz GVFGTANKCHMHNR-MRXNPFEDSA-N 1 3 312.502 2.234 20 0 DEADHO CCCN1CC[C@@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000666925671 540364768 /nfs/dbraw/zinc/36/47/68/540364768.db2.gz BERYIFWAALZQRF-SJORKVTESA-N 1 3 322.497 2.131 20 0 DEADHO CCC[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000294869006 283396148 /nfs/dbraw/zinc/39/61/48/283396148.db2.gz WNQMRUSKCKEIDN-RDJZCZTQSA-N 1 3 303.450 2.328 20 0 DEADHO COC(=O)[C@H]1C[C@@H](N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000597221108 358858632 /nfs/dbraw/zinc/85/86/32/358858632.db2.gz JPGRWPPMKXGOHC-DDBAPUKQSA-N 1 3 316.445 2.438 20 0 DEADHO COC(=O)[C@H]1C[C@@H](N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000597221108 358858635 /nfs/dbraw/zinc/85/86/35/358858635.db2.gz JPGRWPPMKXGOHC-DDBAPUKQSA-N 1 3 316.445 2.438 20 0 DEADHO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1cccc2c1CCNC2 ZINC000667752350 540520222 /nfs/dbraw/zinc/52/02/22/540520222.db2.gz UFSYEZDFCYMBPD-OAHLLOKOSA-N 1 3 316.449 2.328 20 0 DEADHO C[C@H](CNC(=O)Nc1cccc(C[NH3+])c1)N1CCC(C)CC1 ZINC000667729872 540516019 /nfs/dbraw/zinc/51/60/19/540516019.db2.gz ZMPQZFIVNDYZNS-CQSZACIVSA-N 1 3 304.438 2.387 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccncc1F ZINC000449323727 240355620 /nfs/dbraw/zinc/35/56/20/240355620.db2.gz AXBCELXOTDUCHV-MRXNPFEDSA-N 1 3 308.445 2.069 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccncc1F ZINC000449323727 240355632 /nfs/dbraw/zinc/35/56/32/240355632.db2.gz AXBCELXOTDUCHV-MRXNPFEDSA-N 1 3 308.445 2.069 20 0 DEADHO C[C@H]1NCCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC000277455379 291193598 /nfs/dbraw/zinc/19/35/98/291193598.db2.gz HGDJETFHNYIKJT-HZPDHXFCSA-N 1 3 315.461 2.107 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H](C)Cc2ccccc2F)CC1 ZINC000187766021 200153992 /nfs/dbraw/zinc/15/39/92/200153992.db2.gz ZDKLAVOFFNJFRC-MRXNPFEDSA-N 1 3 307.457 2.374 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H](N)Cc2ccccc2)C1 ZINC000237513324 202267774 /nfs/dbraw/zinc/26/77/74/202267774.db2.gz HSEIHUAPUGOIJR-JZXOWHBKSA-N 1 3 317.477 2.041 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H](N)Cc2ccccc2)C1 ZINC000237513324 202267778 /nfs/dbraw/zinc/26/77/78/202267778.db2.gz HSEIHUAPUGOIJR-JZXOWHBKSA-N 1 3 317.477 2.041 20 0 DEADHO CSC[C@@H](O)C[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000188198801 200208028 /nfs/dbraw/zinc/20/80/28/200208028.db2.gz FRZOJDVRRHJSPJ-KRWDZBQOSA-N 1 3 323.506 2.344 20 0 DEADHO CSC[C@@H](O)C[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000188198801 200208029 /nfs/dbraw/zinc/20/80/29/200208029.db2.gz FRZOJDVRRHJSPJ-KRWDZBQOSA-N 1 3 323.506 2.344 20 0 DEADHO C[C@H]1C[C@H](NC(=O)[C@@H](N)C(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000237638163 202313364 /nfs/dbraw/zinc/31/33/64/202313364.db2.gz XLJHRWCYOOLPBP-CWRNSKLLSA-N 1 3 303.450 2.139 20 0 DEADHO C[C@H]1C[C@H](NC(=O)[C@@H](N)C(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000237638163 202313367 /nfs/dbraw/zinc/31/33/67/202313367.db2.gz XLJHRWCYOOLPBP-CWRNSKLLSA-N 1 3 303.450 2.139 20 0 DEADHO c1cc(CN2CCC(C[NH2+][C@H]3CO[C@@H](C4CC4)C3)CC2)ccn1 ZINC000668512067 540676975 /nfs/dbraw/zinc/67/69/75/540676975.db2.gz JFTBWOHGIVYGTO-RTBURBONSA-N 1 3 315.461 2.451 20 0 DEADHO [NH3+][C@@H]1CC[C@@H](C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000237943724 202398746 /nfs/dbraw/zinc/39/87/46/202398746.db2.gz DMGQCPFCDASACQ-ZACQAIPSSA-N 1 3 301.434 2.067 20 0 DEADHO COC(=O)c1ccc(CN2CCC3(C2)CC[NH+](C)CC3)s1 ZINC000602876624 360604949 /nfs/dbraw/zinc/60/49/49/360604949.db2.gz HMTCPIYEQJDWTE-UHFFFAOYSA-N 1 3 308.447 2.452 20 0 DEADHO C[C@H](NCCN1CC[N@H+](C)C(C)(C)C1)c1ccc(Cl)cn1 ZINC000442881153 238088482 /nfs/dbraw/zinc/08/84/82/238088482.db2.gz YYVLYBVAMFOJOY-ZDUSSCGKSA-N 1 3 310.873 2.412 20 0 DEADHO C[C@H](NCCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Cl)cn1 ZINC000442881153 238088485 /nfs/dbraw/zinc/08/84/85/238088485.db2.gz YYVLYBVAMFOJOY-ZDUSSCGKSA-N 1 3 310.873 2.412 20 0 DEADHO [NH3+]CC[C@@H]1CCCN([C@@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000443070948 238103619 /nfs/dbraw/zinc/10/36/19/238103619.db2.gz LXWXJEHFFRPTNA-DOTOQJQBSA-N 1 3 301.434 2.243 20 0 DEADHO C[C@H]([NH3+])CNC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000669402614 540826165 /nfs/dbraw/zinc/82/61/65/540826165.db2.gz RNVCOEOCNYHHTF-RDJZCZTQSA-N 1 3 318.465 2.106 20 0 DEADHO C[C@H](CC[NH3+])NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669483728 540841785 /nfs/dbraw/zinc/84/17/85/540841785.db2.gz KALZCEZDNDRXPJ-WBVHZDCISA-N 1 3 318.465 2.250 20 0 DEADHO C[C@@H](C[NH3+])N(C)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669484003 540842116 /nfs/dbraw/zinc/84/21/16/540842116.db2.gz YBIVRXNDUUUJNR-DOTOQJQBSA-N 1 3 318.465 2.202 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000669529171 540853447 /nfs/dbraw/zinc/85/34/47/540853447.db2.gz GYDPNZLIQFTVET-QGZVFWFLSA-N 1 3 324.513 2.411 20 0 DEADHO N[C@H](CC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000669519652 540850718 /nfs/dbraw/zinc/85/07/18/540850718.db2.gz LVLBJYDQBURHGR-FGTMMUONSA-N 1 3 315.461 2.315 20 0 DEADHO C[C@H](NC(=O)N[C@H]1CCC[NH2+]CC1)[C@@H](c1ccccc1)N(C)C ZINC000669583343 540868582 /nfs/dbraw/zinc/86/85/82/540868582.db2.gz KNRFBQZJYMYZHB-XIRDDKMYSA-N 1 3 318.465 2.119 20 0 DEADHO COc1cccc2c1OC[C@H](N[C@@H]1CC[N@H+](C)[C@@H]3CCC[C@@H]31)C2 ZINC000671745842 541006847 /nfs/dbraw/zinc/00/68/47/541006847.db2.gz MJBYKYDPABYWNT-QBPKDAKJSA-N 1 3 316.445 2.461 20 0 DEADHO COc1cccc2c1OC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H]3CCC[C@@H]31)C2 ZINC000671745842 541006849 /nfs/dbraw/zinc/00/68/49/541006849.db2.gz MJBYKYDPABYWNT-QBPKDAKJSA-N 1 3 316.445 2.461 20 0 DEADHO C[C@@H]([NH3+])CCC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000193321500 201029817 /nfs/dbraw/zinc/02/98/17/201029817.db2.gz NIFICXTZUIWNCR-HZPDHXFCSA-N 1 3 303.450 2.237 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000675198853 541301810 /nfs/dbraw/zinc/30/18/10/541301810.db2.gz ZHPHWXYSUYUAMM-CVEARBPZSA-N 1 3 310.486 2.033 20 0 DEADHO CC[C@@H](CN1CCCC1)NC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000675197605 541302352 /nfs/dbraw/zinc/30/23/52/541302352.db2.gz PVLHVDCMELTQEC-HNNXBMFYSA-N 1 3 310.486 2.033 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CC12CCC2 ZINC000675318828 541319627 /nfs/dbraw/zinc/31/96/27/541319627.db2.gz BWOUJQQWAIWEMS-HZPDHXFCSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CC12CCC2 ZINC000675318828 541319631 /nfs/dbraw/zinc/31/96/31/541319631.db2.gz BWOUJQQWAIWEMS-HZPDHXFCSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[C@H]1CN(C(=O)c2ccc(Nc3ccncc3)cc2)CC[NH2+]1 ZINC000621154882 364283858 /nfs/dbraw/zinc/28/38/58/364283858.db2.gz USJDUJQGTHCBAM-GOSISDBHSA-N 1 3 324.428 2.317 20 0 DEADHO O=C(CC[C@@H]1CCC[NH2+]C1)N1CCN(CC2CCCCC2)CC1 ZINC000621641298 364485356 /nfs/dbraw/zinc/48/53/56/364485356.db2.gz GKNHHQDAFJTYKH-KRWDZBQOSA-N 1 3 321.509 2.491 20 0 DEADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1cccc(CN(C)C)c1 ZINC000623054339 364869787 /nfs/dbraw/zinc/86/97/87/364869787.db2.gz KFASAMLPXUIFQW-CZUORRHYSA-N 1 3 304.438 2.482 20 0 DEADHO COc1ccc(CNCCC[N@H+](C)CCN(C)C)c(Cl)c1 ZINC000623088602 364881521 /nfs/dbraw/zinc/88/15/21/364881521.db2.gz VEVZSMMQQIACQG-UHFFFAOYSA-N 1 3 313.873 2.322 20 0 DEADHO COc1ccc(CNCCC[N@@H+](C)CCN(C)C)c(Cl)c1 ZINC000623088602 364881528 /nfs/dbraw/zinc/88/15/28/364881528.db2.gz VEVZSMMQQIACQG-UHFFFAOYSA-N 1 3 313.873 2.322 20 0 DEADHO CN(CCCNCc1ncc(C(F)(F)F)s1)CC[NH+](C)C ZINC000623087875 364881741 /nfs/dbraw/zinc/88/17/41/364881741.db2.gz MMPSJLBXCRDZTB-UHFFFAOYSA-N 1 3 324.416 2.135 20 0 DEADHO COc1cccc(OC)c1OCCCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000675896066 541393121 /nfs/dbraw/zinc/39/31/21/541393121.db2.gz XZXCOFFNUASMHI-GASCZTMLSA-N 1 3 320.433 2.014 20 0 DEADHO C[C@H]([NH2+]C1CC1)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000449135440 240097034 /nfs/dbraw/zinc/09/70/34/240097034.db2.gz POBDPFOSJAPPML-HEHGZKQESA-N 1 3 321.490 2.388 20 0 DEADHO CN(C)[C@H](CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000449314054 240337966 /nfs/dbraw/zinc/33/79/66/240337966.db2.gz YLNDULVWZYIGFS-BZSNNMDCSA-N 1 3 317.477 2.183 20 0 DEADHO O[C@H]1CCC[C@H]1[NH+]1CCC(NCc2cccc3n[nH]cc32)CC1 ZINC000623453563 365035301 /nfs/dbraw/zinc/03/53/01/365035301.db2.gz VFPYCHIZACJBDM-MSOLQXFVSA-N 1 3 314.433 2.030 20 0 DEADHO C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1)N1CCC(C)CC1 ZINC000623720982 365146572 /nfs/dbraw/zinc/14/65/72/365146572.db2.gz CXCYJDNBGJHDEF-IRXDYDNUSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)N1CCC(C)CC1 ZINC000623720982 365146573 /nfs/dbraw/zinc/14/65/73/365146573.db2.gz CXCYJDNBGJHDEF-IRXDYDNUSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H](NC(=O)NC[C@H]1CCN1C1CCCC1)C1CC[NH+](C)CC1 ZINC000623723791 365148287 /nfs/dbraw/zinc/14/82/87/365148287.db2.gz DUNHQBLVLBORGA-RHSMWYFYSA-N 1 3 322.497 2.033 20 0 DEADHO O[C@H](CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)COCc1ccccc1 ZINC000623828409 365187070 /nfs/dbraw/zinc/18/70/70/365187070.db2.gz XWYRCWYSNHQAOU-CEXWTWQISA-N 1 3 318.461 2.171 20 0 DEADHO O[C@H](CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1)COCc1ccccc1 ZINC000623828409 365187077 /nfs/dbraw/zinc/18/70/77/365187077.db2.gz XWYRCWYSNHQAOU-CEXWTWQISA-N 1 3 318.461 2.171 20 0 DEADHO Cc1nc([C@@H](C)NC2CCN(CC[NH+](C)C)CC2)c(C)s1 ZINC000676489375 541458619 /nfs/dbraw/zinc/45/86/19/541458619.db2.gz JWSATPAQBGEAIR-GFCCVEGCSA-N 1 3 310.511 2.437 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000676542506 541468861 /nfs/dbraw/zinc/46/88/61/541468861.db2.gz NFSPYUIQKDAEAR-BRWVUGGUSA-N 1 3 324.513 2.233 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000676542506 541468863 /nfs/dbraw/zinc/46/88/63/541468863.db2.gz NFSPYUIQKDAEAR-BRWVUGGUSA-N 1 3 324.513 2.233 20 0 DEADHO C[NH+]1CCC(CNC(=O)[C@H]2CCCCN2C2CCCC2)CC1 ZINC000449836138 241146723 /nfs/dbraw/zinc/14/67/23/241146723.db2.gz RWCXDTCJQQYDBF-QGZVFWFLSA-N 1 3 307.482 2.242 20 0 DEADHO CCN1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000449818349 241126373 /nfs/dbraw/zinc/12/63/73/241126373.db2.gz DRCCWCNGIIVAPB-DOTOQJQBSA-N 1 3 307.482 2.384 20 0 DEADHO c1c(CN[C@H]2CCCC23CCCCC3)nnn1[C@@H]1CC[NH2+]C1 ZINC000629551678 367246154 /nfs/dbraw/zinc/24/61/54/367246154.db2.gz WPVPFSJVELCMHY-CVEARBPZSA-N 1 3 303.454 2.405 20 0 DEADHO CCc1cccc2c(CCNC[C@H](O)C[NH+]3CCCC3)c[nH]c21 ZINC000629559220 367251924 /nfs/dbraw/zinc/25/19/24/367251924.db2.gz AUBDMMQTQQQTIF-KRWDZBQOSA-N 1 3 315.461 2.319 20 0 DEADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000629981092 367417949 /nfs/dbraw/zinc/41/79/49/367417949.db2.gz MVDYJWHVLQOZGG-KBXCAEBGSA-N 1 3 303.450 2.278 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000630592165 367745231 /nfs/dbraw/zinc/74/52/31/367745231.db2.gz MJZIXCVOKSUNQI-FGTMMUONSA-N 1 3 315.461 2.107 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000630592165 367745234 /nfs/dbraw/zinc/74/52/34/367745234.db2.gz MJZIXCVOKSUNQI-FGTMMUONSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@H](NC(=O)N1CCCN(C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000288190674 220007853 /nfs/dbraw/zinc/00/78/53/220007853.db2.gz QCXAGCMEEIPDCO-DOTOQJQBSA-N 1 3 318.465 2.025 20 0 DEADHO C(CN1CCC2(CCOC2)CC1)C[NH+]1CCC2(CCOC2)CC1 ZINC000677899722 541645399 /nfs/dbraw/zinc/64/53/99/541645399.db2.gz BWFQCYCKCZLBBH-UHFFFAOYSA-N 1 3 322.493 2.382 20 0 DEADHO N[C@H]1CCCCC[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000631833850 368411434 /nfs/dbraw/zinc/41/14/34/368411434.db2.gz KGNCBKUCTKJQLK-AWEZNQCLSA-N 1 3 311.376 2.497 20 0 DEADHO N[C@H]1CCCCC[N@@H+](CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000631833850 368411437 /nfs/dbraw/zinc/41/14/37/368411437.db2.gz KGNCBKUCTKJQLK-AWEZNQCLSA-N 1 3 311.376 2.497 20 0 DEADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCCCC1)[C@@H]1CCCCN1 ZINC000422765174 296118990 /nfs/dbraw/zinc/11/89/90/296118990.db2.gz QICFUZPMOUEGOE-SJORKVTESA-N 1 3 309.498 2.142 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)CC[C@@H]2CC[NH2+]C2)CN1Cc1ccccc1 ZINC000261914887 203151440 /nfs/dbraw/zinc/15/14/40/203151440.db2.gz WYCBTDZGHWZRMS-JFIYKMOQSA-N 1 3 315.461 2.155 20 0 DEADHO O=C(CC[C@@H]1CC[NH2+]C1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000261922703 203153852 /nfs/dbraw/zinc/15/38/52/203153852.db2.gz XUHGOGAFPLQPCY-AEFFLSMTSA-N 1 3 315.461 2.157 20 0 DEADHO CCC[C@@](C)(N)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000262141587 203210141 /nfs/dbraw/zinc/21/01/41/203210141.db2.gz PCQCDOGCRYQXKE-IEBWSBKVSA-N 1 3 317.477 2.484 20 0 DEADHO CCC[C@@](C)(N)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000262141587 203210145 /nfs/dbraw/zinc/21/01/45/203210145.db2.gz PCQCDOGCRYQXKE-IEBWSBKVSA-N 1 3 317.477 2.484 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000262290882 203252058 /nfs/dbraw/zinc/25/20/58/203252058.db2.gz NFVNZNRNVACVGP-IXDOHACOSA-N 1 3 303.450 2.313 20 0 DEADHO Cc1ccc(NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)c(OCCN(C)C)c1 ZINC000262357586 203272568 /nfs/dbraw/zinc/27/25/68/203272568.db2.gz JPZUEFIMKBDHHV-GJZGRUSLSA-N 1 3 319.449 2.262 20 0 DEADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC[NH2+]1 ZINC000262307769 203256727 /nfs/dbraw/zinc/25/67/27/203256727.db2.gz AYZRNOSMNDFPPY-SZMVWBNQSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)N(C)Cc1ccccc1 ZINC000262411090 203286340 /nfs/dbraw/zinc/28/63/40/203286340.db2.gz PIAWRDFAXXHUTN-ZOBUZTSGSA-N 1 3 303.450 2.011 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000262650685 203365918 /nfs/dbraw/zinc/36/59/18/203365918.db2.gz QTTMZIWJRHKUIY-LAVFITLUSA-N 1 3 315.461 2.283 20 0 DEADHO CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000262693899 203384073 /nfs/dbraw/zinc/38/40/73/203384073.db2.gz BRQUNNZCUYZNMT-WMZOPIPTSA-N 1 3 303.450 2.285 20 0 DEADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@]3(C)CCC(=O)N3)CC2)C1 ZINC000453406464 245122608 /nfs/dbraw/zinc/12/26/08/245122608.db2.gz QZSCTKCVHJSBTK-HFTRVMKXSA-N 1 3 307.482 2.288 20 0 DEADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@]3(C)CCC(=O)N3)CC2)C1 ZINC000453406464 245122613 /nfs/dbraw/zinc/12/26/13/245122613.db2.gz QZSCTKCVHJSBTK-HFTRVMKXSA-N 1 3 307.482 2.288 20 0 DEADHO CN1CCC([NH+]2CCC(NCc3ccc(O)cc3)CC2)CC1 ZINC000679394170 541849838 /nfs/dbraw/zinc/84/98/38/541849838.db2.gz KFSSGWVNPJNDEC-UHFFFAOYSA-N 1 3 303.450 2.040 20 0 DEADHO CC[NH+](CC)CCOCCNCc1c(C)nc2sc(C)cn12 ZINC000680483367 542011579 /nfs/dbraw/zinc/01/15/79/542011579.db2.gz HAOOUOAUSDCBCE-UHFFFAOYSA-N 1 3 324.494 2.461 20 0 DEADHO Cc1cc(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)ccc1OCCN(C)C ZINC000458192763 248195128 /nfs/dbraw/zinc/19/51/28/248195128.db2.gz BXCLJGAEVXZJFT-HOCLYGCPSA-N 1 3 319.449 2.072 20 0 DEADHO Cc1cc(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)ccc1OCCN(C)C ZINC000458192763 248195131 /nfs/dbraw/zinc/19/51/31/248195131.db2.gz BXCLJGAEVXZJFT-HOCLYGCPSA-N 1 3 319.449 2.072 20 0 DEADHO Cc1cc(NC(=O)[C@@H](C(C)C)N(C)C)ccc1OCC[NH+](C)C ZINC000458195847 248198591 /nfs/dbraw/zinc/19/85/91/248198591.db2.gz MFMOGOUQQCQECP-QGZVFWFLSA-N 1 3 321.465 2.460 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)[C@H]2CCN(C(C)C)C2)C1 ZINC000458530809 248360668 /nfs/dbraw/zinc/36/06/68/248360668.db2.gz IMRJQXRVHPKLGA-SJORKVTESA-N 1 3 324.513 2.088 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N(C)[C@H]2CCN(C(C)C)C2)C1 ZINC000458530809 248360673 /nfs/dbraw/zinc/36/06/73/248360673.db2.gz IMRJQXRVHPKLGA-SJORKVTESA-N 1 3 324.513 2.088 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H](C)[C@@H](C)[NH3+])c1cccc(OC)c1 ZINC000192090575 284821828 /nfs/dbraw/zinc/82/18/28/284821828.db2.gz SXQMFESFWLJEGI-CKEIUWERSA-N 1 3 321.465 2.178 20 0 DEADHO [NH3+]CC1(NC(=O)C2CCN(Cc3ccccc3)CC2)CCCC1 ZINC000269149232 207276411 /nfs/dbraw/zinc/27/64/11/207276411.db2.gz LQJPMDAJHARYBD-UHFFFAOYSA-N 1 3 315.461 2.286 20 0 DEADHO C[NH+](C)C1(CNC(=O)[C@H](CN)c2ccccc2)CCCCCC1 ZINC000269242736 207373228 /nfs/dbraw/zinc/37/32/28/207373228.db2.gz RQDURLAIBPRGSV-QGZVFWFLSA-N 1 3 317.477 2.500 20 0 DEADHO CCCN(CCC[NH+](C)C)C(=O)N[C@@H](CC)CN1CCCC1 ZINC000682466683 542302460 /nfs/dbraw/zinc/30/24/60/542302460.db2.gz VBXMBLVCOMBJJV-INIZCTEOSA-N 1 3 312.502 2.234 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H](CN)c2ccccc2)C1 ZINC000269244232 207378723 /nfs/dbraw/zinc/37/87/23/207378723.db2.gz TWPDPELPGSGECM-JFIYKMOQSA-N 1 3 317.477 2.213 20 0 DEADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(N2CCC2=O)c1 ZINC000423096881 532977071 /nfs/dbraw/zinc/97/70/71/532977071.db2.gz IJVMKIHDLAVCBT-DNVCBOLYSA-N 1 3 323.440 2.471 20 0 DEADHO COc1cc(OC)cc(OCCN[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422935644 533078636 /nfs/dbraw/zinc/07/86/36/533078636.db2.gz HFQKMOHYFGKEIT-GUYCJALGSA-N 1 3 308.422 2.190 20 0 DEADHO COc1cc(OC)cc(OCC[NH2+][C@H]2CCCC[C@H]2CN)c1 ZINC000422935644 533078639 /nfs/dbraw/zinc/07/86/39/533078639.db2.gz HFQKMOHYFGKEIT-GUYCJALGSA-N 1 3 308.422 2.190 20 0 DEADHO C[C@H](CCn1cccn1)[NH2+]Cc1ccccc1OCCN(C)C ZINC000158774148 197299836 /nfs/dbraw/zinc/29/98/36/197299836.db2.gz CKVCCZHGIPLASC-MRXNPFEDSA-N 1 3 316.449 2.392 20 0 DEADHO COc1cc(OC)cc(OCCN[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422935642 533077954 /nfs/dbraw/zinc/07/79/54/533077954.db2.gz HFQKMOHYFGKEIT-CXAGYDPISA-N 1 3 308.422 2.190 20 0 DEADHO COc1cc(OC)cc(OCC[NH2+][C@@H]2CCCC[C@@H]2CN)c1 ZINC000422935642 533077957 /nfs/dbraw/zinc/07/79/57/533077957.db2.gz HFQKMOHYFGKEIT-CXAGYDPISA-N 1 3 308.422 2.190 20 0 DEADHO CC[C@H](C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2)N(CC)CC ZINC000288723886 220372357 /nfs/dbraw/zinc/37/23/57/220372357.db2.gz KSJCLBOUTPGKOM-CMPLNLGQSA-N 1 3 310.467 2.018 20 0 DEADHO CC(=O)N1CC[C@H](NC[C@H]2CCC[N@@H+](C)C2)c2ccccc2C1 ZINC000541844477 285188273 /nfs/dbraw/zinc/18/82/73/285188273.db2.gz IWKLTDBJHJXHOD-APWZRJJASA-N 1 3 315.461 2.411 20 0 DEADHO CC(=O)N1CC[C@H](NC[C@H]2CCC[N@H+](C)C2)c2ccccc2C1 ZINC000541844477 285188276 /nfs/dbraw/zinc/18/82/76/285188276.db2.gz IWKLTDBJHJXHOD-APWZRJJASA-N 1 3 315.461 2.411 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000156145945 197089746 /nfs/dbraw/zinc/08/97/46/197089746.db2.gz OSFCVEJBILGRGV-KRWDZBQOSA-N 1 3 301.434 2.059 20 0 DEADHO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC[C@H](CC[NH3+])C1 ZINC000443056865 533175250 /nfs/dbraw/zinc/17/52/50/533175250.db2.gz DOMKZTFMFFDCQT-LSDHHAIUSA-N 1 3 321.440 2.233 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccccc1 ZINC000299704859 285249460 /nfs/dbraw/zinc/24/94/60/285249460.db2.gz GHJNWSKGKCIQRI-QGZVFWFLSA-N 1 3 303.450 2.175 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccccc1 ZINC000299704859 285249463 /nfs/dbraw/zinc/24/94/63/285249463.db2.gz GHJNWSKGKCIQRI-QGZVFWFLSA-N 1 3 303.450 2.175 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H](C)SC ZINC000339830217 285276412 /nfs/dbraw/zinc/27/64/12/285276412.db2.gz RUNCIZZSMSPEFM-CABCVRRESA-N 1 3 315.527 2.003 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H](C)SC ZINC000339830217 285276413 /nfs/dbraw/zinc/27/64/13/285276413.db2.gz RUNCIZZSMSPEFM-CABCVRRESA-N 1 3 315.527 2.003 20 0 DEADHO CCN(C[C@@H](O)C[N@H+](C)C1CC1)[C@H](C)Cc1ccc(OC)cc1 ZINC000289511004 221030911 /nfs/dbraw/zinc/03/09/11/221030911.db2.gz ALERDDDSMXVEBK-QAPCUYQASA-N 1 3 320.477 2.403 20 0 DEADHO CCN(C[C@@H](O)C[N@@H+](C)C1CC1)[C@H](C)Cc1ccc(OC)cc1 ZINC000289511004 221030913 /nfs/dbraw/zinc/03/09/13/221030913.db2.gz ALERDDDSMXVEBK-QAPCUYQASA-N 1 3 320.477 2.403 20 0 DEADHO COCCOCc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000289611044 221101542 /nfs/dbraw/zinc/10/15/42/221101542.db2.gz DYRMDFXNNQKHAQ-GOSISDBHSA-N 1 3 318.461 2.424 20 0 DEADHO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000561043230 291951027 /nfs/dbraw/zinc/95/10/27/291951027.db2.gz LUKCXPHHXFAQEZ-CQSZACIVSA-N 1 3 316.449 2.328 20 0 DEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)CNC3)[C@@H](C)C1 ZINC000347660610 285368901 /nfs/dbraw/zinc/36/89/01/285368901.db2.gz ZWBOSUFVHWFFJM-SUMWQHHRSA-N 1 3 301.434 2.092 20 0 DEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)CNC3)[C@@H](C)C1 ZINC000347660610 285368902 /nfs/dbraw/zinc/36/89/02/285368902.db2.gz ZWBOSUFVHWFFJM-SUMWQHHRSA-N 1 3 301.434 2.092 20 0 DEADHO C[C@@H](NCC1CCN(CC(F)(F)F)CC1)[C@H]1CCCC[NH2+]1 ZINC000423060424 533367450 /nfs/dbraw/zinc/36/74/50/533367450.db2.gz IDWJBZDETVGETB-TZMCWYRMSA-N 1 3 307.404 2.381 20 0 DEADHO C[C@H](NC(=O)NCc1ccc2c(c1)CNC2)C(C)(C)C[NH+](C)C ZINC000417857895 533655237 /nfs/dbraw/zinc/65/52/37/533655237.db2.gz OVLWHEKIEOEHDV-ZDUSSCGKSA-N 1 3 318.465 2.065 20 0 DEADHO C[NH+](C)C1CCN(CCN[C@@H]2CCCc3cccnc32)CC1 ZINC000684957363 542690319 /nfs/dbraw/zinc/69/03/19/542690319.db2.gz JCXRYAQUOVOYOG-QGZVFWFLSA-N 1 3 302.466 2.075 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCN(C)Cc1ccccc1 ZINC000355406476 133024590 /nfs/dbraw/zinc/02/45/90/133024590.db2.gz BSPXOVNWHGFXCN-IYBDPMFKSA-N 1 3 303.450 2.107 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCN(C)Cc1ccccc1 ZINC000355406476 133024591 /nfs/dbraw/zinc/02/45/91/133024591.db2.gz BSPXOVNWHGFXCN-IYBDPMFKSA-N 1 3 303.450 2.107 20 0 DEADHO COC1(CNC2CC[NH+](C[C@@H]3CCOC3)CC2)CCCCC1 ZINC000359719514 133140885 /nfs/dbraw/zinc/14/08/85/133140885.db2.gz LMVBNJSTXYVLIR-INIZCTEOSA-N 1 3 310.482 2.426 20 0 DEADHO CN1CCC[C@@H]1CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000360160625 133166447 /nfs/dbraw/zinc/16/64/47/133166447.db2.gz YXFPNLXYIXKOAL-GOSISDBHSA-N 1 3 315.461 2.109 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](NCCNc2ccccn2)[C@H](C)C1 ZINC000361882021 133197866 /nfs/dbraw/zinc/19/78/66/133197866.db2.gz YGVSDVJKMLUBAG-SJORKVTESA-N 1 3 320.481 2.220 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](NCCNc2ccccn2)[C@H](C)C1 ZINC000361882021 133197867 /nfs/dbraw/zinc/19/78/67/133197867.db2.gz YGVSDVJKMLUBAG-SJORKVTESA-N 1 3 320.481 2.220 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377748174 133344738 /nfs/dbraw/zinc/34/47/38/133344738.db2.gz TZJDDKOJFVZRLD-YESZJQIVSA-N 1 3 307.482 2.003 20 0 DEADHO CC(C)C(C)(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000372614303 133361038 /nfs/dbraw/zinc/36/10/38/133361038.db2.gz VZZFGRMAARUCAL-UHFFFAOYSA-N 1 3 309.498 2.343 20 0 DEADHO COC1(C[NH2+]C2CCN(CC3CCCC3)CC2)CCOCC1 ZINC000372990021 133373246 /nfs/dbraw/zinc/37/32/46/133373246.db2.gz NUJGOSTZMOUTMO-UHFFFAOYSA-N 1 3 310.482 2.426 20 0 DEADHO COC1(CNC2CC[NH+](CC3CCCC3)CC2)CCOCC1 ZINC000372990021 133373247 /nfs/dbraw/zinc/37/32/47/133373247.db2.gz NUJGOSTZMOUTMO-UHFFFAOYSA-N 1 3 310.482 2.426 20 0 DEADHO CC[NH2+]CC1CCN(Cc2ccccc2N2CCOCC2)CC1 ZINC000347200653 285586285 /nfs/dbraw/zinc/58/62/85/285586285.db2.gz JWXZNEWZWRJIAJ-UHFFFAOYSA-N 1 3 317.477 2.345 20 0 DEADHO COc1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)c(F)c1 ZINC000563252595 292042098 /nfs/dbraw/zinc/04/20/98/292042098.db2.gz ICLUXBCGIBNMOQ-UHFFFAOYSA-N 1 3 310.413 2.159 20 0 DEADHO CN[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000563413504 292054980 /nfs/dbraw/zinc/05/49/80/292054980.db2.gz AJTVKNVDYRBOJF-HNNXBMFYSA-N 1 3 303.450 2.143 20 0 DEADHO CC1(C)CNCC[C@@H]1[NH2+]CCCn1c2ccccc2[nH]c1=O ZINC000563673544 292069056 /nfs/dbraw/zinc/06/90/56/292069056.db2.gz RVVAEFORPYRYDW-HNNXBMFYSA-N 1 3 302.422 2.110 20 0 DEADHO CC1(C)C[NH2+]CC[C@@H]1NCCCn1c2ccccc2[nH]c1=O ZINC000563673544 292069058 /nfs/dbraw/zinc/06/90/58/292069058.db2.gz RVVAEFORPYRYDW-HNNXBMFYSA-N 1 3 302.422 2.110 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000563715948 292070815 /nfs/dbraw/zinc/07/08/15/292070815.db2.gz MEDZWDUNFHAQPX-LZWOXQAQSA-N 1 3 321.440 2.280 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3C=CCCC3)CC2)CC1 ZINC000563727318 292071727 /nfs/dbraw/zinc/07/17/27/292071727.db2.gz SEKPDOUYWZSKJF-KRWDZBQOSA-N 1 3 319.493 2.408 20 0 DEADHO C[C@H](C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1)[C@H](N)c1ccccc1 ZINC000563875207 292077622 /nfs/dbraw/zinc/07/76/22/292077622.db2.gz XKZKGKWPYGCUNT-OWLYRPNTSA-N 1 3 315.461 2.313 20 0 DEADHO COC(=O)[C@@H](C)Oc1ccc(C[N@H+](C)CCCN(C)C)cc1 ZINC000564314808 292091406 /nfs/dbraw/zinc/09/14/06/292091406.db2.gz HAIXZRFFGQWENX-CQSZACIVSA-N 1 3 308.422 2.010 20 0 DEADHO COC(=O)[C@@H](C)Oc1ccc(C[N@@H+](C)CCCN(C)C)cc1 ZINC000564314808 292091408 /nfs/dbraw/zinc/09/14/08/292091408.db2.gz HAIXZRFFGQWENX-CQSZACIVSA-N 1 3 308.422 2.010 20 0 DEADHO C[C@@H](C[NH2+]C1CCN(CCc2ccccc2)CC1)CN(C)C ZINC000291693956 404481547 /nfs/dbraw/zinc/48/15/47/404481547.db2.gz JKWXJSXOVSAEPV-KRWDZBQOSA-N 1 3 303.494 2.481 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC1CC[NH+](C)CC1)N1CCCCC1 ZINC000354873575 146798072 /nfs/dbraw/zinc/79/80/72/146798072.db2.gz FDISRYAHYNCTAX-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H]1CC[C@@H](C[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)O1 ZINC000190503998 145043517 /nfs/dbraw/zinc/04/35/17/145043517.db2.gz ORNSQSLPFOZOJX-CUSZFKRNSA-N 1 3 310.482 2.375 20 0 DEADHO CN1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH2+]2)[C@@H]1c1cccs1 ZINC000237124167 145091875 /nfs/dbraw/zinc/09/18/75/145091875.db2.gz UZNUYOPTMRPOCU-IJEWVQPXSA-N 1 3 321.490 2.389 20 0 DEADHO CC[N@@H+]1CC[C@@H](NCCNC(=O)c2ccc(C)c(F)c2)[C@@H](C)C1 ZINC000246882769 145117747 /nfs/dbraw/zinc/11/77/47/145117747.db2.gz FAUBTOTWCIDESD-WMLDXEAASA-N 1 3 321.440 2.184 20 0 DEADHO CC[N@H+]1CC[C@@H](NCCNC(=O)c2ccc(C)c(F)c2)[C@@H](C)C1 ZINC000246882769 145117749 /nfs/dbraw/zinc/11/77/49/145117749.db2.gz FAUBTOTWCIDESD-WMLDXEAASA-N 1 3 321.440 2.184 20 0 DEADHO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CC[C@H]2CCCN2C)C1 ZINC000247313023 145132682 /nfs/dbraw/zinc/13/26/82/145132682.db2.gz RHJRIANNKBAVAE-YESZJQIVSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC[C@H]2CCCN2C)C1 ZINC000247313023 145132684 /nfs/dbraw/zinc/13/26/84/145132684.db2.gz RHJRIANNKBAVAE-YESZJQIVSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[C@H](C)NC(=O)[C@H]1CCCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000247313023 145132685 /nfs/dbraw/zinc/13/26/85/145132685.db2.gz RHJRIANNKBAVAE-YESZJQIVSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[C@H](C)NC(=O)[C@H]1CCCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000247313023 145132688 /nfs/dbraw/zinc/13/26/88/145132688.db2.gz RHJRIANNKBAVAE-YESZJQIVSA-N 1 3 309.498 2.488 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)COCc3cccs3)CC[C@H]21 ZINC000247969281 145145003 /nfs/dbraw/zinc/14/50/03/145145003.db2.gz IUCWIRUYTHTKPN-HLLBOEOZSA-N 1 3 324.490 2.042 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C[C@H](O)COCc3cccs3)CC[C@H]21 ZINC000247969281 145145004 /nfs/dbraw/zinc/14/50/04/145145004.db2.gz IUCWIRUYTHTKPN-HLLBOEOZSA-N 1 3 324.490 2.042 20 0 DEADHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)COCc3cccs3)CC[C@H]21 ZINC000247969281 145145006 /nfs/dbraw/zinc/14/50/06/145145006.db2.gz IUCWIRUYTHTKPN-HLLBOEOZSA-N 1 3 324.490 2.042 20 0 DEADHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)COCc3cccs3)CC[C@H]21 ZINC000247969281 145145008 /nfs/dbraw/zinc/14/50/08/145145008.db2.gz IUCWIRUYTHTKPN-HLLBOEOZSA-N 1 3 324.490 2.042 20 0 DEADHO C[NH2+]CCC1CCN([C@H](C)C(=O)NCc2ccccc2C)CC1 ZINC000261984911 145250136 /nfs/dbraw/zinc/25/01/36/145250136.db2.gz JONHIYDBFSOWHA-MRXNPFEDSA-N 1 3 317.477 2.321 20 0 DEADHO C[NH2+]CCC1CCN([C@@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000261985394 145250541 /nfs/dbraw/zinc/25/05/41/145250541.db2.gz JPQUERUXKUWPOW-XHSDSOJGSA-N 1 3 309.498 2.201 20 0 DEADHO C[NH2+]CCC1CCN([C@@H](C)C(=O)NCCc2cccs2)CC1 ZINC000261997276 145251096 /nfs/dbraw/zinc/25/10/96/145251096.db2.gz OEEYIIBBLKLSSQ-AWEZNQCLSA-N 1 3 323.506 2.117 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H](C)[C@H](N)c2ccccc2)C1 ZINC000262107361 145262276 /nfs/dbraw/zinc/26/22/76/145262276.db2.gz JLFWYUIZBNEMED-UAGQMJEPSA-N 1 3 303.450 2.265 20 0 DEADHO Cc1ccsc1CN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262308270 145275071 /nfs/dbraw/zinc/27/50/71/145275071.db2.gz PMAFIDNVLQYYTF-LSDHHAIUSA-N 1 3 321.490 2.137 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000262477138 145286454 /nfs/dbraw/zinc/28/64/54/145286454.db2.gz JRCFVXJFMHHFPY-PBHICJAKSA-N 1 3 303.450 2.041 20 0 DEADHO C[C@@H](C(=O)NCc1ccccc1CN1CCCCC1)C1C[NH2+]C1 ZINC000262591920 145295363 /nfs/dbraw/zinc/29/53/63/145295363.db2.gz WJCVZWMOJYPQBI-OAHLLOKOSA-N 1 3 315.461 2.144 20 0 DEADHO CC(C)(C)[C@H](N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309703967 145350469 /nfs/dbraw/zinc/35/04/69/145350469.db2.gz HBJWMKKPQVZYHN-DLBZAZTESA-N 1 3 317.477 2.388 20 0 DEADHO CC(C)(C)[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309703967 145350470 /nfs/dbraw/zinc/35/04/70/145350470.db2.gz HBJWMKKPQVZYHN-DLBZAZTESA-N 1 3 317.477 2.388 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc2c(c1)CCC=C2 ZINC000551505782 285893915 /nfs/dbraw/zinc/89/39/15/285893915.db2.gz VOQBCCULOPKZGO-UHFFFAOYSA-N 1 3 315.461 2.211 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000346168713 146029372 /nfs/dbraw/zinc/02/93/72/146029372.db2.gz URHAXQBKRJDTJO-MWDXBVQZSA-N 1 3 307.482 2.050 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000346168713 146029373 /nfs/dbraw/zinc/02/93/73/146029373.db2.gz URHAXQBKRJDTJO-MWDXBVQZSA-N 1 3 307.482 2.050 20 0 DEADHO C[C@H](C[NH+](C)C)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000346233029 146044057 /nfs/dbraw/zinc/04/40/57/146044057.db2.gz VQNVVFOVSGPHAG-GFCCVEGCSA-N 1 3 303.406 2.174 20 0 DEADHO CCN1CCN(c2ccccc2CN2CCC[C@@H]2C[NH2+]C)CC1 ZINC000346641266 146115604 /nfs/dbraw/zinc/11/56/04/146115604.db2.gz LQOYVNHYSKHSDC-GOSISDBHSA-N 1 3 316.493 2.012 20 0 DEADHO C[NH2+]CC1CCN(Cc2ccc(OCCOC)c(OC)c2)CC1 ZINC000347113888 146195881 /nfs/dbraw/zinc/19/58/81/146195881.db2.gz SIZBJYBJRVOLJK-UHFFFAOYSA-N 1 3 322.449 2.152 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000348632770 146293271 /nfs/dbraw/zinc/29/32/71/146293271.db2.gz CPIHVYDHBADHFQ-MRXNPFEDSA-N 1 3 324.513 2.425 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cncc(F)c1 ZINC000349037027 146342482 /nfs/dbraw/zinc/34/24/82/146342482.db2.gz QOILPJRYIQTJPM-QGZVFWFLSA-N 1 3 308.445 2.069 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cncc(F)c1 ZINC000349037027 146342485 /nfs/dbraw/zinc/34/24/85/146342485.db2.gz QOILPJRYIQTJPM-QGZVFWFLSA-N 1 3 308.445 2.069 20 0 DEADHO C[C@@H](NC(C)(C)CNC(=O)[C@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000357254047 147073715 /nfs/dbraw/zinc/07/37/15/147073715.db2.gz YJBOYSDDXGEOSK-ZIAGYGMSSA-N 1 3 303.450 2.088 20 0 DEADHO C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358510552 147148099 /nfs/dbraw/zinc/14/80/99/147148099.db2.gz RYROKBGAZVFFPA-CVEARBPZSA-N 1 3 307.482 2.099 20 0 DEADHO CCN(Cc1ccccc1)C(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358520552 147149242 /nfs/dbraw/zinc/14/92/42/147149242.db2.gz VZFPDSRWOFTBAO-UHFFFAOYSA-N 1 3 315.461 2.111 20 0 DEADHO C[C@H](CN(C)C)NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000358522247 147149703 /nfs/dbraw/zinc/14/97/03/147149703.db2.gz JZIBQFSXRNZYSF-IXDOHACOSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H](CN(C)C)NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000358522247 147149705 /nfs/dbraw/zinc/14/97/05/147149705.db2.gz JZIBQFSXRNZYSF-IXDOHACOSA-N 1 3 324.513 2.233 20 0 DEADHO CS[C@@H]1CN(CCCn2ccnc2C)C[C@@H]1[NH+]1CCCC1 ZINC000358827440 147214258 /nfs/dbraw/zinc/21/42/58/147214258.db2.gz QELAQLLIADWFHA-JKSUJKDBSA-N 1 3 308.495 2.093 20 0 DEADHO C[C@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)[C@@H]1CCCOC1 ZINC000359220931 147285222 /nfs/dbraw/zinc/28/52/22/147285222.db2.gz CCMUBYIEHVCRPH-KFKAGJAMSA-N 1 3 318.461 2.158 20 0 DEADHO c1csc(CCN2CCN(CCC3CC[NH2+]CC3)CC2)c1 ZINC000359224157 147285401 /nfs/dbraw/zinc/28/54/01/147285401.db2.gz RGACTKALGMFJMQ-UHFFFAOYSA-N 1 3 307.507 2.298 20 0 DEADHO C[C@@H]1CCC[C@@](CNC(=O)N[C@@H]2CCN(C3CC3)C2)([NH+](C)C)C1 ZINC000359353098 147312822 /nfs/dbraw/zinc/31/28/22/147312822.db2.gz QAPDPYFRKINVDG-IIDMSEBBSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cc(N(C)C)nc2ccccc21 ZINC000565660387 292175424 /nfs/dbraw/zinc/17/54/24/292175424.db2.gz OGAQYDOMLDDRLM-VXGBXAGGSA-N 1 3 300.406 2.156 20 0 DEADHO COc1ccccc1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000370698004 148046030 /nfs/dbraw/zinc/04/60/30/148046030.db2.gz MLIOIDHOFKUJNO-AEFFLSMTSA-N 1 3 317.477 2.153 20 0 DEADHO COc1ccccc1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000370698004 148046033 /nfs/dbraw/zinc/04/60/33/148046033.db2.gz MLIOIDHOFKUJNO-AEFFLSMTSA-N 1 3 317.477 2.153 20 0 DEADHO O=C(NC[C@H](CO)c1ccccc1)C1C[NH+](C2CCCCC2)C1 ZINC000565702065 292176714 /nfs/dbraw/zinc/17/67/14/292176714.db2.gz VJTRBOMZXJXAIC-MRXNPFEDSA-N 1 3 316.445 2.143 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccccc1CN1CCCC1=O ZINC000566089131 292203775 /nfs/dbraw/zinc/20/37/75/292203775.db2.gz SXCIAHVZOOIPGB-WMLDXEAASA-N 1 3 301.434 2.026 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000127244327 401725858 /nfs/dbraw/zinc/72/58/58/401725858.db2.gz BPWWVFVNQUTNRV-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C)CN(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000111491638 401717373 /nfs/dbraw/zinc/71/73/73/401717373.db2.gz HYRIIABHZZDPBX-OAHLLOKOSA-N 1 3 324.513 2.233 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000113616226 401784054 /nfs/dbraw/zinc/78/40/54/401784054.db2.gz COEIRVMIIUFWOD-CABCVRRESA-N 1 3 310.486 2.033 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000113616226 401784057 /nfs/dbraw/zinc/78/40/57/401784057.db2.gz COEIRVMIIUFWOD-CABCVRRESA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]C[C@@H](Cc1ccccc1)N(C)C ZINC000132898448 401876039 /nfs/dbraw/zinc/87/60/39/401876039.db2.gz GKEWMXVDONSXNL-UKBAYJJMSA-N 1 3 303.494 2.478 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NC[C@@H](Cc1ccccc1)N(C)C ZINC000132898448 401876040 /nfs/dbraw/zinc/87/60/40/401876040.db2.gz GKEWMXVDONSXNL-UKBAYJJMSA-N 1 3 303.494 2.478 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NC[C@@H](Cc1ccccc1)N(C)C ZINC000132898448 401876042 /nfs/dbraw/zinc/87/60/42/401876042.db2.gz GKEWMXVDONSXNL-UKBAYJJMSA-N 1 3 303.494 2.478 20 0 DEADHO Cn1c2cccc(F)c2nc1CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000089673846 401956868 /nfs/dbraw/zinc/95/68/68/401956868.db2.gz MCZFJMJGQJYFRI-UONOGXRCSA-N 1 3 316.424 2.471 20 0 DEADHO Cn1c2cccc(F)c2nc1CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000089673846 401956870 /nfs/dbraw/zinc/95/68/70/401956870.db2.gz MCZFJMJGQJYFRI-UONOGXRCSA-N 1 3 316.424 2.471 20 0 DEADHO CCN(CC)CCC[C@H](C)[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094634919 402022725 /nfs/dbraw/zinc/02/27/25/402022725.db2.gz OYQNWXJIPYILSZ-JYJNAYRXSA-N 1 3 318.527 2.442 20 0 DEADHO CN(CC[C@H]1CCOC1=O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000120783186 402002355 /nfs/dbraw/zinc/00/23/55/402002355.db2.gz JIKYFAHMDAUMHB-ROUUACIJSA-N 1 3 316.445 2.394 20 0 DEADHO CN(CC[C@H]1CCOC1=O)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000120783186 402002356 /nfs/dbraw/zinc/00/23/56/402002356.db2.gz JIKYFAHMDAUMHB-ROUUACIJSA-N 1 3 316.445 2.394 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000566193307 292216577 /nfs/dbraw/zinc/21/65/77/292216577.db2.gz LGFOPSHQCJGSOM-MPTYRVRUSA-N 1 3 318.465 2.074 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000123128677 402112006 /nfs/dbraw/zinc/11/20/06/402112006.db2.gz AXFZURZIKNNIRQ-IRXDYDNUSA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000123128677 402112008 /nfs/dbraw/zinc/11/20/08/402112008.db2.gz AXFZURZIKNNIRQ-IRXDYDNUSA-N 1 3 324.513 2.138 20 0 DEADHO CCN(C)CCNC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000066987451 402149353 /nfs/dbraw/zinc/14/93/53/402149353.db2.gz KYRFLNBUWPZEOU-UHFFFAOYSA-N 1 3 320.481 2.278 20 0 DEADHO CCN(C)CCNC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000066987451 402149355 /nfs/dbraw/zinc/14/93/55/402149355.db2.gz KYRFLNBUWPZEOU-UHFFFAOYSA-N 1 3 320.481 2.278 20 0 DEADHO C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000124373796 402176984 /nfs/dbraw/zinc/17/69/84/402176984.db2.gz HKCWQNQQPNBCNO-UONOGXRCSA-N 1 3 322.474 2.225 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)CN1C1CC1 ZINC000154576380 402219414 /nfs/dbraw/zinc/21/94/14/402219414.db2.gz VKHXROWXYSJUOU-LSDHHAIUSA-N 1 3 322.497 2.175 20 0 DEADHO CC[N@@H+]1CC[C@H](CNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000107886924 402242681 /nfs/dbraw/zinc/24/26/81/402242681.db2.gz TTYZUDPRFUUBSD-QGZVFWFLSA-N 1 3 315.461 2.354 20 0 DEADHO CC[N@H+]1CC[C@H](CNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000107886924 402242686 /nfs/dbraw/zinc/24/26/86/402242686.db2.gz TTYZUDPRFUUBSD-QGZVFWFLSA-N 1 3 315.461 2.354 20 0 DEADHO CCN1CCC(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000155363967 402253861 /nfs/dbraw/zinc/25/38/61/402253861.db2.gz PGKYBHIHJNQMOZ-QGZVFWFLSA-N 1 3 322.497 2.131 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H]1CCCN(C)C1 ZINC000108554306 402257108 /nfs/dbraw/zinc/25/71/08/402257108.db2.gz WZLCIJJBTUFLQF-IRXDYDNUSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H]1CCCN(C)C1 ZINC000108554306 402257111 /nfs/dbraw/zinc/25/71/11/402257111.db2.gz WZLCIJJBTUFLQF-IRXDYDNUSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@H](CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)N(C)C1CC1 ZINC000105179795 402206707 /nfs/dbraw/zinc/20/67/07/402206707.db2.gz WSAIRCBCUYWJIA-HUUCEWRRSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@H](CNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)N(C)C1CC1 ZINC000105179795 402206708 /nfs/dbraw/zinc/20/67/08/402206708.db2.gz WSAIRCBCUYWJIA-HUUCEWRRSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000157977213 402300525 /nfs/dbraw/zinc/30/05/25/402300525.db2.gz FBHVQDAGAMTJQU-HZPDHXFCSA-N 1 3 312.502 2.088 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000157977213 402300528 /nfs/dbraw/zinc/30/05/28/402300528.db2.gz FBHVQDAGAMTJQU-HZPDHXFCSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N(C)CCN(C)C)c1ccccc1 ZINC000176358999 402302617 /nfs/dbraw/zinc/30/26/17/402302617.db2.gz CNELMBBAMYUINO-OAHLLOKOSA-N 1 3 320.481 2.319 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000158657385 402309791 /nfs/dbraw/zinc/30/97/91/402309791.db2.gz IBHCVWWMGOTFGB-INIZCTEOSA-N 1 3 324.513 2.282 20 0 DEADHO CC(C)C[C@H]([NH3+])C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000236674234 402373293 /nfs/dbraw/zinc/37/32/93/402373293.db2.gz UTEZNHCJQRWOOC-PBHICJAKSA-N 1 3 318.465 2.097 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H](C)c2cccc(OC)c2)CC1 ZINC000177212839 402382234 /nfs/dbraw/zinc/38/22/34/402382234.db2.gz HQLZUUTUAGUKIS-MRXNPFEDSA-N 1 3 305.466 2.373 20 0 DEADHO Cc1ccc([C@H](CNC(=O)C2(C[NH3+])CCCC2)N(C)C)cc1 ZINC000237131845 402396203 /nfs/dbraw/zinc/39/62/03/402396203.db2.gz ACPNKTQBIQEEEJ-INIZCTEOSA-N 1 3 303.450 2.233 20 0 DEADHO C[C@@H]1CCN(C(=O)C2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000237369103 402405959 /nfs/dbraw/zinc/40/59/59/402405959.db2.gz YJXYQYIGBWWMSN-MRXNPFEDSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)C2(C[NH3+])CCCC2)CN1Cc1ccccc1 ZINC000237529494 402411209 /nfs/dbraw/zinc/41/12/09/402411209.db2.gz MASAAGOKWUHIIA-DOTOQJQBSA-N 1 3 315.461 2.285 20 0 DEADHO C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000237528903 402411658 /nfs/dbraw/zinc/41/16/58/402411658.db2.gz XPJGDDVICYOHOC-JQHSSLGASA-N 1 3 315.461 2.107 20 0 DEADHO CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000237044025 402393027 /nfs/dbraw/zinc/39/30/27/402393027.db2.gz YTQHQVBSYIGDSZ-XIRDDKMYSA-N 1 3 303.450 2.313 20 0 DEADHO CN(CCCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000237069731 402393647 /nfs/dbraw/zinc/39/36/47/402393647.db2.gz WJTRMUCVWVCIBO-IAGOWNOFSA-N 1 3 303.450 2.142 20 0 DEADHO COC[C@H]([NH2+]Cc1cccc(CN(C)C)c1)C1CCOCC1 ZINC000187728953 402510273 /nfs/dbraw/zinc/51/02/73/402510273.db2.gz URVFMBHWUTWYAI-SFHVURJKSA-N 1 3 306.450 2.279 20 0 DEADHO C[C@H](N)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000164847357 402469741 /nfs/dbraw/zinc/46/97/41/402469741.db2.gz HTNHTSCUFQRWDE-KFWWJZLASA-N 1 3 303.450 2.128 20 0 DEADHO CC[C@@H](CNC(=O)C[C@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000164953394 402471424 /nfs/dbraw/zinc/47/14/24/402471424.db2.gz KYRCLGQZYGAXSG-MSOLQXFVSA-N 1 3 315.461 2.082 20 0 DEADHO CSCC[C@@H](N)C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000166000948 402480760 /nfs/dbraw/zinc/48/07/60/402480760.db2.gz BIRGLIUEUOLCNI-MRXNPFEDSA-N 1 3 323.506 2.223 20 0 DEADHO CSCC[C@@H](N)C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000166000948 402480761 /nfs/dbraw/zinc/48/07/61/402480761.db2.gz BIRGLIUEUOLCNI-MRXNPFEDSA-N 1 3 323.506 2.223 20 0 DEADHO O=C(C[C@H]1CCC[NH2+]1)NCC1CCN(Cc2cccs2)CC1 ZINC000166213231 402482784 /nfs/dbraw/zinc/48/27/84/402482784.db2.gz SCSTWQRKIJWPLW-OAHLLOKOSA-N 1 3 321.490 2.218 20 0 DEADHO C[C@@H](NC(C)(C)CNC(=O)C[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000167622735 402492503 /nfs/dbraw/zinc/49/25/03/402492503.db2.gz NHRXJPZMTPARJU-GDBMZVCRSA-N 1 3 303.450 2.374 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C[C@@H](C)O1 ZINC000245950657 402500331 /nfs/dbraw/zinc/50/03/31/402500331.db2.gz WJNAAGUFLFJPPL-UYTYNIKBSA-N 1 3 322.493 2.423 20 0 DEADHO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000246745680 402543164 /nfs/dbraw/zinc/54/31/64/402543164.db2.gz ZKLANLBNMRQAMU-KBAYOESNSA-N 1 3 315.461 2.250 20 0 DEADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(C(=O)C3CCCCC3)C2)[C@@H](C)C1 ZINC000246955802 402551067 /nfs/dbraw/zinc/55/10/67/402551067.db2.gz HPBJTGKSLXZIGV-JQHSSLGASA-N 1 3 321.509 2.488 20 0 DEADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(C(=O)C3CCCCC3)C2)[C@@H](C)C1 ZINC000246955802 402551069 /nfs/dbraw/zinc/55/10/69/402551069.db2.gz HPBJTGKSLXZIGV-JQHSSLGASA-N 1 3 321.509 2.488 20 0 DEADHO CCOC(=O)N[C@H](CN[C@H]1CC[N@H+](CC)C[C@H]1C)CC(C)C ZINC000247193507 402559606 /nfs/dbraw/zinc/55/96/06/402559606.db2.gz VXTJSEWDHUZGJD-PMPSAXMXSA-N 1 3 313.486 2.467 20 0 DEADHO CCOC(=O)N[C@H](CN[C@H]1CC[N@@H+](CC)C[C@H]1C)CC(C)C ZINC000247193507 402559608 /nfs/dbraw/zinc/55/96/08/402559608.db2.gz VXTJSEWDHUZGJD-PMPSAXMXSA-N 1 3 313.486 2.467 20 0 DEADHO CCCNC(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000189948717 402567669 /nfs/dbraw/zinc/56/76/69/402567669.db2.gz QJAJNKUXNJZQDC-HZPDHXFCSA-N 1 3 317.477 2.259 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000246275401 402522914 /nfs/dbraw/zinc/52/29/14/402522914.db2.gz HKPRLEWIAUVEQY-HOTGVXAUSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000246275401 402522918 /nfs/dbraw/zinc/52/29/18/402522918.db2.gz HKPRLEWIAUVEQY-HOTGVXAUSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246311618 402524479 /nfs/dbraw/zinc/52/44/79/402524479.db2.gz BWTZQXASAMLXHE-QXSJWSMHSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000246311618 402524480 /nfs/dbraw/zinc/52/44/80/402524480.db2.gz BWTZQXASAMLXHE-QXSJWSMHSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@@H]1CN(CC2CC[NH+](CC[C@@H]3CCCO3)CC2)C[C@H](C)O1 ZINC000189057639 402530901 /nfs/dbraw/zinc/53/09/01/402530901.db2.gz RVLRORBPUCEPCS-JZXOWHBKSA-N 1 3 310.482 2.377 20 0 DEADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000190207480 402584639 /nfs/dbraw/zinc/58/46/39/402584639.db2.gz PCSXQPFZBPOIAB-JKSUJKDBSA-N 1 3 324.513 2.375 20 0 DEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000251736161 402649433 /nfs/dbraw/zinc/64/94/33/402649433.db2.gz PQZAIAYRFYXJNN-IXDOHACOSA-N 1 3 324.513 2.375 20 0 DEADHO COCC[N@H+](C)CCCN[C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000181943657 402661656 /nfs/dbraw/zinc/66/16/56/402661656.db2.gz CQCLIUCBGYBGSZ-AWEZNQCLSA-N 1 3 307.438 2.264 20 0 DEADHO COCC[N@@H+](C)CCCN[C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000181943657 402661659 /nfs/dbraw/zinc/66/16/59/402661659.db2.gz CQCLIUCBGYBGSZ-AWEZNQCLSA-N 1 3 307.438 2.264 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000172616667 402666559 /nfs/dbraw/zinc/66/65/59/402666559.db2.gz USANXXWCWIATST-UHFFFAOYSA-N 1 3 315.461 2.352 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)c2cccc(CN3CCCC3)c2)CC[NH2+]1 ZINC000262934265 402737078 /nfs/dbraw/zinc/73/70/78/402737078.db2.gz TUKWECDCHIKUKG-PBHICJAKSA-N 1 3 301.434 2.153 20 0 DEADHO CC(C)CO[C@H]1CC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192758054 402748554 /nfs/dbraw/zinc/74/85/54/402748554.db2.gz UACHSDAIZPKMCN-SFHVURJKSA-N 1 3 311.514 2.149 20 0 DEADHO CC(C)CO[C@H]1CC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192758054 402748556 /nfs/dbraw/zinc/74/85/56/402748556.db2.gz UACHSDAIZPKMCN-SFHVURJKSA-N 1 3 311.514 2.149 20 0 DEADHO CN(CCNC(=O)C[C@H]([NH3+])c1ccccc1)Cc1ccccc1 ZINC000263368581 402762906 /nfs/dbraw/zinc/76/29/06/402762906.db2.gz XELLXUSMVMMOAV-SFHVURJKSA-N 1 3 311.429 2.325 20 0 DEADHO C[C@H](C[NH3+])C(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000262361160 402725001 /nfs/dbraw/zinc/72/50/01/402725001.db2.gz KKHZEFUIZHATPT-VQIMIIECSA-N 1 3 315.461 2.096 20 0 DEADHO C[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)c1ccnn1C ZINC000278399382 402864270 /nfs/dbraw/zinc/86/42/70/402864270.db2.gz FMUGIARGQHDILN-HNNXBMFYSA-N 1 3 316.449 2.254 20 0 DEADHO Cc1ccncc1CCC[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000278969404 402891554 /nfs/dbraw/zinc/89/15/54/402891554.db2.gz OKELLIJHYROYQR-KRWDZBQOSA-N 1 3 317.477 2.413 20 0 DEADHO Cc1ccncc1CCCNC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000278969404 402891556 /nfs/dbraw/zinc/89/15/56/402891556.db2.gz OKELLIJHYROYQR-KRWDZBQOSA-N 1 3 317.477 2.413 20 0 DEADHO C[C@@H]1CCC[C@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000279194089 402914480 /nfs/dbraw/zinc/91/44/80/402914480.db2.gz FHUBKVZTPQHFJM-DJIMGWMZSA-N 1 3 303.450 2.184 20 0 DEADHO Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CC2(O)CCN(C)CC2)C1 ZINC000281674141 403080704 /nfs/dbraw/zinc/08/07/04/403080704.db2.gz RAMKRCPGPHBBKC-IRXDYDNUSA-N 1 3 317.477 2.463 20 0 DEADHO C[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)C1CCC1 ZINC000268792971 403114693 /nfs/dbraw/zinc/11/46/93/403114693.db2.gz GYJUNCUKCZBBOM-MRXNPFEDSA-N 1 3 302.466 2.372 20 0 DEADHO C[NH+](C)CCc1ccccc1NC(=O)NCCN1CCCCC1 ZINC000275727266 403119209 /nfs/dbraw/zinc/11/92/09/403119209.db2.gz WSBOJOXTUOIJQQ-UHFFFAOYSA-N 1 3 318.465 2.398 20 0 DEADHO CCN1CCN(c2ccc(NC(=O)[C@@H]([NH3+])C(C)C)c(C)c2)CC1 ZINC000269271770 403126946 /nfs/dbraw/zinc/12/69/46/403126946.db2.gz TZOQEMQWJNPTOJ-KRWDZBQOSA-N 1 3 318.465 2.059 20 0 DEADHO C[C@@H]1CN(C(=O)C2CCN(Cc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000269275342 403126983 /nfs/dbraw/zinc/12/69/83/403126983.db2.gz OJWAXURITXAGKN-QAPCUYQASA-N 1 3 315.461 2.094 20 0 DEADHO COc1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000277778395 403255765 /nfs/dbraw/zinc/25/57/65/403255765.db2.gz RQVGJLMPPWNDAU-UHFFFAOYSA-N 1 3 305.466 2.153 20 0 DEADHO CN(C)C1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)Cc2ccccc2C1 ZINC000339071018 403343808 /nfs/dbraw/zinc/34/38/08/403343808.db2.gz OPXRHXGOTRSAMX-RTBURBONSA-N 1 3 313.489 2.302 20 0 DEADHO CN(C)C1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)Cc2ccccc2C1 ZINC000339071018 403343810 /nfs/dbraw/zinc/34/38/10/403343810.db2.gz OPXRHXGOTRSAMX-RTBURBONSA-N 1 3 313.489 2.302 20 0 DEADHO CC1CCC(N2CCN(C(=O)[C@@H]3CCC[NH2+][C@H]3C)CC2)CC1 ZINC000342690753 403310002 /nfs/dbraw/zinc/31/00/02/403310002.db2.gz GQCWJSNYAJATAZ-ODZFXCKXSA-N 1 3 307.482 2.097 20 0 DEADHO CN(CCCNC(=O)CC[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000292178239 403313005 /nfs/dbraw/zinc/31/30/05/403313005.db2.gz WPGVZASGCGVKIK-KRWDZBQOSA-N 1 3 303.450 2.157 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000342712772 403317504 /nfs/dbraw/zinc/31/75/04/403317504.db2.gz AMZWNGWZERSSNY-IAOVAPTHSA-N 1 3 303.450 2.314 20 0 DEADHO CC(C)(C)c1ncc(CNCCCC[N@@H+]2CCC[C@@H]2CO)cn1 ZINC000342728495 403325607 /nfs/dbraw/zinc/32/56/07/403325607.db2.gz MZNJIRNYISDEEW-MRXNPFEDSA-N 1 3 320.481 2.101 20 0 DEADHO CC(C)(C)c1ncc(CNCCCC[N@H+]2CCC[C@@H]2CO)cn1 ZINC000342728495 403325610 /nfs/dbraw/zinc/32/56/10/403325610.db2.gz MZNJIRNYISDEEW-MRXNPFEDSA-N 1 3 320.481 2.101 20 0 DEADHO COc1ccc([C@@H]([NH2+]C[C@@H](O)CN2CCCC2)C2CC2)cc1 ZINC000298213416 403332498 /nfs/dbraw/zinc/33/24/98/403332498.db2.gz MMMLMIKGPYYUCQ-AEFFLSMTSA-N 1 3 304.434 2.193 20 0 DEADHO OC[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccc(F)cc1 ZINC000339067784 403342569 /nfs/dbraw/zinc/34/25/69/403342569.db2.gz IHOFLSBADYXUQX-RYQLBKOJSA-N 1 3 306.425 2.193 20 0 DEADHO OC[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccc(F)cc1 ZINC000339067784 403342575 /nfs/dbraw/zinc/34/25/75/403342575.db2.gz IHOFLSBADYXUQX-RYQLBKOJSA-N 1 3 306.425 2.193 20 0 DEADHO CCN1CCN(CCCC[NH2+][C@H](C)c2cc(C)ccn2)CC1 ZINC000285879393 403401275 /nfs/dbraw/zinc/40/12/75/403401275.db2.gz ZKPSBQOHWVAAFC-QGZVFWFLSA-N 1 3 304.482 2.458 20 0 DEADHO C[C@@H](CCNC(=O)N[C@H]1CCN(C)[C@H](C)C1)[NH+]1CCCCC1 ZINC000345691802 403439650 /nfs/dbraw/zinc/43/96/50/403439650.db2.gz KJRVUVXLAQSTAE-XHSDSOJGSA-N 1 3 310.486 2.033 20 0 DEADHO Cc1c(-c2cc(CN3CCC(C[NH+](C)C)CC3)on2)cnn1C ZINC000332096246 403482333 /nfs/dbraw/zinc/48/23/33/403482333.db2.gz XIWNGEVAHFERTC-UHFFFAOYSA-N 1 3 317.437 2.157 20 0 DEADHO CC[NH+](CC)CCNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000287392924 403590288 /nfs/dbraw/zinc/59/02/88/403590288.db2.gz VQNWRSBWMRVZCD-DOTOQJQBSA-N 1 3 320.481 2.319 20 0 DEADHO C[NH2+]CCC1CCN(Cc2ccccc2N2CCOCC2)CC1 ZINC000346686604 403597971 /nfs/dbraw/zinc/59/79/71/403597971.db2.gz ROEPYRJHGMSALR-UHFFFAOYSA-N 1 3 317.477 2.345 20 0 DEADHO C[NH+]1CCC(CCN[C@@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000293758224 403556949 /nfs/dbraw/zinc/55/69/49/403556949.db2.gz OSSFBUZJHSSUPV-AWEZNQCLSA-N 1 3 305.451 2.277 20 0 DEADHO C[C@H](CC[NH+](C)C)NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000287218820 403557275 /nfs/dbraw/zinc/55/72/75/403557275.db2.gz NANQLSODOQQTBJ-VYDXJSESSA-N 1 3 320.481 2.317 20 0 DEADHO CN(C(=O)C1(C)CCN(Cc2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000566968366 292280141 /nfs/dbraw/zinc/28/01/41/292280141.db2.gz UAUHZRMWRIKVJB-QGZVFWFLSA-N 1 3 315.461 2.109 20 0 DEADHO CC(C)[C@@H](Cn1cccn1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000340538155 403641601 /nfs/dbraw/zinc/64/16/01/403641601.db2.gz UBCVJSGNUKKVDV-FGTMMUONSA-N 1 3 322.497 2.387 20 0 DEADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3ccc4c[nH]nc4c3)CC2)C1 ZINC000333089840 403663483 /nfs/dbraw/zinc/66/34/83/403663483.db2.gz CFTLEMZQKWPQFC-SJLPKXTDSA-N 1 3 314.433 2.281 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCCN(C(C)C)CC2)C1 ZINC000340830353 403667298 /nfs/dbraw/zinc/66/72/98/403667298.db2.gz XVYOWXZNBAPFMH-QGZVFWFLSA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCCN(C(C)C)CC2)C1 ZINC000340830353 403667300 /nfs/dbraw/zinc/66/73/00/403667300.db2.gz XVYOWXZNBAPFMH-QGZVFWFLSA-N 1 3 324.513 2.090 20 0 DEADHO CCn1nc(C)c(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1C ZINC000333185122 403687928 /nfs/dbraw/zinc/68/79/28/403687928.db2.gz SSLTZPHAGMDQSI-QZTJIDSGSA-N 1 3 320.481 2.238 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NC[C@H](c2ccccc2)N(C)C)CC[N@@H+]1C ZINC000340920698 403697379 /nfs/dbraw/zinc/69/73/79/403697379.db2.gz ZOQRNNGVOJYUJW-DJIMGWMZSA-N 1 3 318.465 2.071 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NC[C@H](c2ccccc2)N(C)C)CC[N@H+]1C ZINC000340920698 403697383 /nfs/dbraw/zinc/69/73/83/403697383.db2.gz ZOQRNNGVOJYUJW-DJIMGWMZSA-N 1 3 318.465 2.071 20 0 DEADHO C[C@@H](Cn1cc(Br)cn1)NCc1ccc(C[NH3+])cc1 ZINC000567110497 292289873 /nfs/dbraw/zinc/28/98/73/292289873.db2.gz IELKEVPHCKJXNB-NSHDSACASA-N 1 3 323.238 2.283 20 0 DEADHO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000333345619 403730608 /nfs/dbraw/zinc/73/06/08/403730608.db2.gz QLZRGMUEGMNHFD-BLLLJJGKSA-N 1 3 302.422 2.140 20 0 DEADHO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000333345619 403730612 /nfs/dbraw/zinc/73/06/12/403730612.db2.gz QLZRGMUEGMNHFD-BLLLJJGKSA-N 1 3 302.422 2.140 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)CNC2 ZINC000347505478 403733950 /nfs/dbraw/zinc/73/39/50/403733950.db2.gz QMIDHLCMGQYCJT-QGZVFWFLSA-N 1 3 301.434 2.284 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc2c(c1)CNC2 ZINC000347505478 403733952 /nfs/dbraw/zinc/73/39/52/403733952.db2.gz QMIDHLCMGQYCJT-QGZVFWFLSA-N 1 3 301.434 2.284 20 0 DEADHO C[NH+]1CCC(CC(=O)N2CCN(CCC(C)(C)C)CC2)CC1 ZINC000347510396 403736075 /nfs/dbraw/zinc/73/60/75/403736075.db2.gz BKWMTUBMYXPBDR-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CCOc1cccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000343808830 403742288 /nfs/dbraw/zinc/74/22/88/403742288.db2.gz NGKUPFAFGSMUAH-IYBDPMFKSA-N 1 3 321.465 2.459 20 0 DEADHO CSc1ccc([C@@H](CNC(=O)/C=C/C[NH+](C)C)N(C)C)cc1 ZINC000295071913 403750157 /nfs/dbraw/zinc/75/01/57/403750157.db2.gz YUEPLDNRPQHURT-FYCOFBDGSA-N 1 3 321.490 2.245 20 0 DEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000341047833 403750246 /nfs/dbraw/zinc/75/02/46/403750246.db2.gz FUNLNKPULSTYRZ-OWCLPIDISA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000341047833 403750250 /nfs/dbraw/zinc/75/02/50/403750250.db2.gz FUNLNKPULSTYRZ-OWCLPIDISA-N 1 3 324.513 2.279 20 0 DEADHO O=C(NC1CC[NH+](C2CCCC2)CC1)c1ccc2c(c1)CNC2 ZINC000347552968 403750616 /nfs/dbraw/zinc/75/06/16/403750616.db2.gz LCCNAGZGFFDXDX-UHFFFAOYSA-N 1 3 313.445 2.427 20 0 DEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCCN(C)[C@H]2C)C1 ZINC000343877272 403772854 /nfs/dbraw/zinc/77/28/54/403772854.db2.gz OOKXRFRZTQIUMS-OWCLPIDISA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCCN(C)[C@H]2C)C1 ZINC000343877272 403772856 /nfs/dbraw/zinc/77/28/56/403772856.db2.gz OOKXRFRZTQIUMS-OWCLPIDISA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CCN1C ZINC000341177210 403808819 /nfs/dbraw/zinc/80/88/19/403808819.db2.gz JRVMJSDEALWYHC-QLFBSQMISA-N 1 3 312.502 2.135 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCCN1CC ZINC000341109394 403778359 /nfs/dbraw/zinc/77/83/59/403778359.db2.gz SNJBPOVAUBAMFC-SJORKVTESA-N 1 3 324.513 2.425 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCCN1CC ZINC000341109394 403778366 /nfs/dbraw/zinc/77/83/66/403778366.db2.gz SNJBPOVAUBAMFC-SJORKVTESA-N 1 3 324.513 2.425 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)CCN1C ZINC000341157623 403800667 /nfs/dbraw/zinc/80/06/67/403800667.db2.gz IBPUTQBBWIUHPF-SJORKVTESA-N 1 3 324.513 2.425 20 0 DEADHO O[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)COCC1CC1 ZINC000305115124 403839050 /nfs/dbraw/zinc/83/90/50/403839050.db2.gz HSFAUEWBJZPALV-SFHVURJKSA-N 1 3 310.482 2.161 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000341239552 403856682 /nfs/dbraw/zinc/85/66/82/403856682.db2.gz MGDRFARZAJZXRV-GDBMZVCRSA-N 1 3 322.497 2.033 20 0 DEADHO O[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)C1CC1 ZINC000289178119 403862171 /nfs/dbraw/zinc/86/21/71/403862171.db2.gz AFNSYXPWOBGMHF-FCGDIQPGSA-N 1 3 300.446 2.258 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000344176340 403960362 /nfs/dbraw/zinc/96/03/62/403960362.db2.gz NIFDKWZMAFSRAG-QGZVFWFLSA-N 1 3 321.465 2.434 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000344176340 403960373 /nfs/dbraw/zinc/96/03/73/403960373.db2.gz NIFDKWZMAFSRAG-QGZVFWFLSA-N 1 3 321.465 2.434 20 0 DEADHO CCC[C@@](C)(N)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309902096 403964083 /nfs/dbraw/zinc/96/40/83/403964083.db2.gz PEQXAMLZKJEDTM-FUHWJXTLSA-N 1 3 303.450 2.142 20 0 DEADHO CCC[C@@](C)(N)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309902096 403964091 /nfs/dbraw/zinc/96/40/91/403964091.db2.gz PEQXAMLZKJEDTM-FUHWJXTLSA-N 1 3 303.450 2.142 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCCCC1 ZINC000354651891 403930325 /nfs/dbraw/zinc/93/03/25/403930325.db2.gz DPRIKGRIVUNWBN-YESZJQIVSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)N1CCCCC1 ZINC000354651891 403930327 /nfs/dbraw/zinc/93/03/27/403930327.db2.gz DPRIKGRIVUNWBN-YESZJQIVSA-N 1 3 307.482 2.240 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cnccc1C ZINC000289414604 403951205 /nfs/dbraw/zinc/95/12/05/403951205.db2.gz IHFYRYQSDRBCEN-GOSISDBHSA-N 1 3 304.482 2.238 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cnccc1C ZINC000289414604 403951213 /nfs/dbraw/zinc/95/12/13/403951213.db2.gz IHFYRYQSDRBCEN-GOSISDBHSA-N 1 3 304.482 2.238 20 0 DEADHO CC(C)COCC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000369191883 403997234 /nfs/dbraw/zinc/99/72/34/403997234.db2.gz CCPFWBUQKVQORX-IAGOWNOFSA-N 1 3 312.498 2.480 20 0 DEADHO CN1CCC(N2CC[C@@H]([NH2+]Cc3cccc4[nH]ccc43)C2)CC1 ZINC000369274521 404028822 /nfs/dbraw/zinc/02/88/22/404028822.db2.gz PVUCCTVPQAWWQZ-MRXNPFEDSA-N 1 3 312.461 2.426 20 0 DEADHO C[N@H+](C[C@H](O)CN[C@@H]1CCC[C@@H]1OCc1ccccc1)C1CC1 ZINC000352094405 404137741 /nfs/dbraw/zinc/13/77/41/404137741.db2.gz ZVBHXKMMVXLGJQ-QRVBRYPASA-N 1 3 318.461 2.169 20 0 DEADHO C[N@@H+](C[C@H](O)CN[C@@H]1CCC[C@@H]1OCc1ccccc1)C1CC1 ZINC000352094405 404137742 /nfs/dbraw/zinc/13/77/42/404137742.db2.gz ZVBHXKMMVXLGJQ-QRVBRYPASA-N 1 3 318.461 2.169 20 0 DEADHO CCN1CCN(c2ccccc2C[NH+]2CCC(OC)CC2)CC1 ZINC000349762989 404190256 /nfs/dbraw/zinc/19/02/56/404190256.db2.gz HHDFEOZLGZOFCU-UHFFFAOYSA-N 1 3 317.477 2.439 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000344585263 404240554 /nfs/dbraw/zinc/24/05/54/404240554.db2.gz SPMRQMBJAWBBQS-INMHGKMJSA-N 1 3 309.498 2.486 20 0 DEADHO CNCc1cccc(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)c1 ZINC000296479921 404267930 /nfs/dbraw/zinc/26/79/30/404267930.db2.gz PXPJIEXBSIXYHZ-UHFFFAOYSA-N 1 3 309.413 2.347 20 0 DEADHO C[C@@H](CC1CCOCC1)CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000349961332 404274699 /nfs/dbraw/zinc/27/46/99/404274699.db2.gz GJQRMMDBMBNYCP-SFHVURJKSA-N 1 3 323.525 2.153 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+](C)[C@@H](C)COC)CC1 ZINC000352298012 404275480 /nfs/dbraw/zinc/27/54/80/404275480.db2.gz RVSAYXKSTVQDED-INIZCTEOSA-N 1 3 305.466 2.295 20 0 DEADHO C[NH+](C)CC1CCN(Cc2ccccc2N2CCOCC2)CC1 ZINC000350144463 404329963 /nfs/dbraw/zinc/32/99/63/404329963.db2.gz DFIJELVBTXHXED-UHFFFAOYSA-N 1 3 317.477 2.297 20 0 DEADHO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)CS1 ZINC000364331804 404352580 /nfs/dbraw/zinc/35/25/80/404352580.db2.gz LVMBVYSGRDWUBI-ZOBUZTSGSA-N 1 3 311.539 2.275 20 0 DEADHO C[C@@H](CC[NH+](C)C)NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000344690739 404310397 /nfs/dbraw/zinc/31/03/97/404310397.db2.gz GHOWCDGHOGLOKF-AWEZNQCLSA-N 1 3 322.453 2.089 20 0 DEADHO C[C@@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)C1=CCN(C)CC1 ZINC000352513662 404426497 /nfs/dbraw/zinc/42/64/97/404426497.db2.gz BJEDPZTWQBABEC-OAHLLOKOSA-N 1 3 322.497 2.058 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)Nc2cccc3c2CCNC3)CC1 ZINC000567453251 292314297 /nfs/dbraw/zinc/31/42/97/292314297.db2.gz ZVCDYPIJZZJDFR-UHFFFAOYSA-N 1 3 316.449 2.327 20 0 DEADHO C[C@H]1CCC[C@H](C)C1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414205934 404548870 /nfs/dbraw/zinc/54/88/70/404548870.db2.gz XVYJUJAWEZUEQX-IRXDYDNUSA-N 1 3 323.525 2.197 20 0 DEADHO CC(C)[C@H](CN1CCN([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000352718531 404571726 /nfs/dbraw/zinc/57/17/26/404571726.db2.gz LBJODPRNGKZJNC-OALUTQOASA-N 1 3 301.478 2.406 20 0 DEADHO Cc1cnn(CC[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000373955070 404655243 /nfs/dbraw/zinc/65/52/43/404655243.db2.gz UGAZPZYXEWGSDD-CALCHBBNSA-N 1 3 320.481 2.013 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000351482945 404596625 /nfs/dbraw/zinc/59/66/25/404596625.db2.gz DJSJRYTUOZTROM-CYGHRXIMSA-N 1 3 315.461 2.073 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000351482945 404596629 /nfs/dbraw/zinc/59/66/29/404596629.db2.gz DJSJRYTUOZTROM-CYGHRXIMSA-N 1 3 315.461 2.073 20 0 DEADHO CSc1ccccc1NC(=O)CCN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351493175 404604556 /nfs/dbraw/zinc/60/45/56/404604556.db2.gz MEZHZWDRQPGCJG-MELADBBJSA-N 1 3 319.474 2.406 20 0 DEADHO CC(C)c1ccc(C[N@H+](C)C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414668180 404704310 /nfs/dbraw/zinc/70/43/10/404704310.db2.gz ISFCYGRWGYKJSP-QGZVFWFLSA-N 1 3 317.477 2.439 20 0 DEADHO CC(C)c1ccc(C[N@@H+](C)C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414668180 404704314 /nfs/dbraw/zinc/70/43/14/404704314.db2.gz ISFCYGRWGYKJSP-QGZVFWFLSA-N 1 3 317.477 2.439 20 0 DEADHO Cc1cccc([C@H]2CCC[N@@H+]2C[C@@H]2CCCN(C(=O)CN)C2)c1 ZINC000414672800 404704928 /nfs/dbraw/zinc/70/49/28/404704928.db2.gz HYVFLNPQUIKUJH-FUHWJXTLSA-N 1 3 315.461 2.329 20 0 DEADHO Cc1cccc([C@H]2CCC[N@H+]2C[C@@H]2CCCN(C(=O)CN)C2)c1 ZINC000414672800 404704929 /nfs/dbraw/zinc/70/49/29/404704929.db2.gz HYVFLNPQUIKUJH-FUHWJXTLSA-N 1 3 315.461 2.329 20 0 DEADHO CC(C)CCNC(=O)[C@@H](C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374165903 404700182 /nfs/dbraw/zinc/70/01/82/404700182.db2.gz UYTKNCYGVDYIRG-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1nc(COc2ccc(CN[C@@H]3CCC[C@@H]3C[NH3+])cc2)no1 ZINC000414794118 404737514 /nfs/dbraw/zinc/73/75/14/404737514.db2.gz LKJKCAVAHCHBOD-GDBMZVCRSA-N 1 3 316.405 2.174 20 0 DEADHO CC(C)N1CCN(C2CC[NH+](C[C@@H]3CCSC3)CC2)CC1 ZINC000375750899 404738985 /nfs/dbraw/zinc/73/89/85/404738985.db2.gz XETMDZCAADXGNE-INIZCTEOSA-N 1 3 311.539 2.230 20 0 DEADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@@H](C[NH3+])C1CC1 ZINC000414806496 404739149 /nfs/dbraw/zinc/73/91/49/404739149.db2.gz QLTIWOLZVXXOLE-WBMJQRKESA-N 1 3 323.868 2.404 20 0 DEADHO C[C@H]1C[C@@H](CN2CCN(c3cccc(F)c3F)CC2)CC[NH2+]1 ZINC000414689157 404708661 /nfs/dbraw/zinc/70/86/61/404708661.db2.gz FIDQXMVRCSOPHM-KBPBESRZSA-N 1 3 309.404 2.475 20 0 DEADHO C[N@H+](CCCCc1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414701741 404711999 /nfs/dbraw/zinc/71/19/99/404711999.db2.gz KRPUHMRQDDDWFO-SFHVURJKSA-N 1 3 317.477 2.138 20 0 DEADHO C[N@@H+](CCCCc1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414701741 404712004 /nfs/dbraw/zinc/71/20/04/404712004.db2.gz KRPUHMRQDDDWFO-SFHVURJKSA-N 1 3 317.477 2.138 20 0 DEADHO CCC[N@H+](CCc1cccs1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414738022 404720368 /nfs/dbraw/zinc/72/03/68/404720368.db2.gz AWSHBFQNSFYFIY-OAHLLOKOSA-N 1 3 323.506 2.200 20 0 DEADHO CCC[N@@H+](CCc1cccs1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414738022 404720373 /nfs/dbraw/zinc/72/03/73/404720373.db2.gz AWSHBFQNSFYFIY-OAHLLOKOSA-N 1 3 323.506 2.200 20 0 DEADHO CCN1CCN(c2ccccc2CN[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414961840 404777111 /nfs/dbraw/zinc/77/71/11/404777111.db2.gz ZFDPFVMVKULCEL-AEFFLSMTSA-N 1 3 316.493 2.059 20 0 DEADHO Cc1cc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1F ZINC000414990906 404782225 /nfs/dbraw/zinc/78/22/25/404782225.db2.gz SARANYUVXXLVAR-CQSZACIVSA-N 1 3 319.346 2.060 20 0 DEADHO c1cc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)c2c(c1)OCCCO2 ZINC000415015084 404788926 /nfs/dbraw/zinc/78/89/26/404788926.db2.gz YCMACMDOEQPIPO-JKSUJKDBSA-N 1 3 302.418 2.326 20 0 DEADHO C[C@@H](CCC[NH3+])NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000415021186 404789376 /nfs/dbraw/zinc/78/93/76/404789376.db2.gz KBWNCQCXINEEOA-JTQLQIEISA-N 1 3 311.792 2.277 20 0 DEADHO Fc1cccc(Cl)c1CN1CCC(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000415046078 404795074 /nfs/dbraw/zinc/79/50/74/404795074.db2.gz WRJWGIPYJGJALN-LAQFHYBYSA-N 1 3 323.843 2.251 20 0 DEADHO [NH3+]C[C@H]1CC[C@H](NCc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC000415046884 404795479 /nfs/dbraw/zinc/79/54/79/404795479.db2.gz VMGRBASXFCZWMV-QWRGUYRKSA-N 1 3 323.803 2.277 20 0 DEADHO CC(C)C[C@H]([NH3+])CNCCc1nccn1Cc1ccccc1 ZINC000415085635 404803588 /nfs/dbraw/zinc/80/35/88/404803588.db2.gz QXWNZTAEOGJMHM-KRWDZBQOSA-N 1 3 300.450 2.437 20 0 DEADHO CC(C)C[C@H](N)C[NH2+]CCc1nccn1Cc1ccccc1 ZINC000415085635 404803592 /nfs/dbraw/zinc/80/35/92/404803592.db2.gz QXWNZTAEOGJMHM-KRWDZBQOSA-N 1 3 300.450 2.437 20 0 DEADHO CN(C)c1ccccc1CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415115915 404810497 /nfs/dbraw/zinc/81/04/97/404810497.db2.gz AOSHWLWEIVRGMQ-HKUYNNGSSA-N 1 3 317.477 2.471 20 0 DEADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000415119568 404811656 /nfs/dbraw/zinc/81/16/56/404811656.db2.gz FRHQUZYHHVYQQH-IEBWSBKVSA-N 1 3 316.445 2.340 20 0 DEADHO Cc1cc([C@H](C)[NH2+]C[C@@H]2CCCN(C(=O)CN)C2)c(C)s1 ZINC000415127202 404814008 /nfs/dbraw/zinc/81/40/08/404814008.db2.gz VLIGNUKDELSTGN-JSGCOSHPSA-N 1 3 309.479 2.213 20 0 DEADHO Cc1cc([C@@H](C)[NH2+]C[C@H]2CCCN(C(=O)CN)C2)c(C)s1 ZINC000415127204 404814274 /nfs/dbraw/zinc/81/42/74/404814274.db2.gz VLIGNUKDELSTGN-TZMCWYRMSA-N 1 3 309.479 2.213 20 0 DEADHO COC1CCN(C2(C[NH2+]C3CCN(C)CC3)CCCC2)CC1 ZINC000360240396 404823652 /nfs/dbraw/zinc/82/36/52/404823652.db2.gz UUWKVEMHTHIVNL-UHFFFAOYSA-N 1 3 309.498 2.094 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](C2CC2)N(C)C)[C@@H](C)C1 ZINC000360416462 404827603 /nfs/dbraw/zinc/82/76/03/404827603.db2.gz IEGIKFUFYXKBCI-RYQLBKOJSA-N 1 3 311.514 2.053 20 0 DEADHO COC[C@@]1(C[NH2+][C@H](C)CCc2n[nH]c3ccccc32)CCCN1 ZINC000414948209 404773621 /nfs/dbraw/zinc/77/36/21/404773621.db2.gz WVPAFPATXKSVLS-KDOFPFPSSA-N 1 3 316.449 2.242 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000415563838 404885526 /nfs/dbraw/zinc/88/55/26/404885526.db2.gz HLJJEOYVMFLVFB-HNNXBMFYSA-N 1 3 306.454 2.286 20 0 DEADHO C[NH+](C)CCc1ccccc1NC(=O)N1CCNC(C)(C)C1 ZINC000415585978 404889623 /nfs/dbraw/zinc/88/96/23/404889623.db2.gz XVPZLBCZMCORGU-UHFFFAOYSA-N 1 3 304.438 2.006 20 0 DEADHO C[C@@H]1CCN(C(=O)Nc2ccccc2CCN(C)C)C[C@H]1C[NH3+] ZINC000415584846 404889647 /nfs/dbraw/zinc/88/96/47/404889647.db2.gz WWZWKESYEGZVTQ-GDBMZVCRSA-N 1 3 318.465 2.239 20 0 DEADHO O=C(Nc1cccc(CN2CCCCC2)c1)[C@]1(F)CC[NH2+]C1 ZINC000378201357 404890417 /nfs/dbraw/zinc/89/04/17/404890417.db2.gz IOUMZEXKLVCTKL-KRWDZBQOSA-N 1 3 305.397 2.313 20 0 DEADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@H](CO)[C@H]2CCOC2)CC1 ZINC000360883990 404844677 /nfs/dbraw/zinc/84/46/77/404844677.db2.gz MIRCLCFOROGEOX-NTDBWNAOSA-N 1 3 324.509 2.264 20 0 DEADHO C[C@@H](CCc1ccc(F)cc1F)NC[C@H](O)C[NH+]1CCCC1 ZINC000353501384 404849815 /nfs/dbraw/zinc/84/98/15/404849815.db2.gz IBCRXSMCOMIXET-BBRMVZONSA-N 1 3 312.404 2.332 20 0 DEADHO C[NH+](C)CCOC1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000353520542 404855085 /nfs/dbraw/zinc/85/50/85/404855085.db2.gz PMFYCBBSELVBDV-UHFFFAOYSA-N 1 3 320.433 2.000 20 0 DEADHO C[NH+](C)CCOC1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000353573330 404869303 /nfs/dbraw/zinc/86/93/03/404869303.db2.gz LFGAZHLMAMRJNC-UHFFFAOYSA-N 1 3 304.434 2.164 20 0 DEADHO C[NH2+]Cc1ccccc1NC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000415913624 404969643 /nfs/dbraw/zinc/96/96/43/404969643.db2.gz PZPCZQCHUHAJNJ-MRXNPFEDSA-N 1 3 316.449 2.498 20 0 DEADHO C[C@H]1CCCC[C@H]1C[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000353674041 404914308 /nfs/dbraw/zinc/91/43/08/404914308.db2.gz RFSSZNBQBXVRDJ-IRXDYDNUSA-N 1 3 309.498 2.395 20 0 DEADHO C[C@H](C[NH3+])NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000416830406 404927111 /nfs/dbraw/zinc/92/71/11/404927111.db2.gz GWTWTAFYVMTSMN-ZIAGYGMSSA-N 1 3 324.494 2.168 20 0 DEADHO CCCC[C@@H](C[NH3+])NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000416845975 404933120 /nfs/dbraw/zinc/93/31/20/404933120.db2.gz STZYEAHSDZBESH-IRXDYDNUSA-N 1 3 318.465 2.078 20 0 DEADHO CCN1CCC(NC(=O)C[N@@H+]2CCC[C@]2(C)CC(C)C)CC1 ZINC000451295256 404943745 /nfs/dbraw/zinc/94/37/45/404943745.db2.gz ZEYOTVDJVRLRHJ-GOSISDBHSA-N 1 3 309.498 2.488 20 0 DEADHO CCN1CCC(NC(=O)C[N@H+]2CCC[C@]2(C)CC(C)C)CC1 ZINC000451295256 404943748 /nfs/dbraw/zinc/94/37/48/404943748.db2.gz ZEYOTVDJVRLRHJ-GOSISDBHSA-N 1 3 309.498 2.488 20 0 DEADHO CC1CC[NH+](CCCNC(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000416874276 404945016 /nfs/dbraw/zinc/94/50/16/404945016.db2.gz PFGQCBJTWRTLAK-QGZVFWFLSA-N 1 3 318.465 2.108 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ncccc1CN ZINC000416035961 405010949 /nfs/dbraw/zinc/01/09/49/405010949.db2.gz XCVWXUYHGRLYMX-OAHLLOKOSA-N 1 3 319.453 2.172 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ncccc1CN ZINC000416035961 405010950 /nfs/dbraw/zinc/01/09/50/405010950.db2.gz XCVWXUYHGRLYMX-OAHLLOKOSA-N 1 3 319.453 2.172 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000417051184 405020243 /nfs/dbraw/zinc/02/02/43/405020243.db2.gz YYNPGQHCDZPNMT-JYJNAYRXSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000417051184 405020248 /nfs/dbraw/zinc/02/02/48/405020248.db2.gz YYNPGQHCDZPNMT-JYJNAYRXSA-N 1 3 310.486 2.033 20 0 DEADHO [NH3+][C@H](CCC(=O)N[C@@H]1CCN(C2CC2)C1)CC1CCCCC1 ZINC000424157135 405024940 /nfs/dbraw/zinc/02/49/40/405024940.db2.gz PHXHKBQKACUKHB-HZPDHXFCSA-N 1 3 307.482 2.417 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1cccc(CN(C)C)c1 ZINC000417068736 405025830 /nfs/dbraw/zinc/02/58/30/405025830.db2.gz OAPIUSKFBZQWIC-WMLDXEAASA-N 1 3 318.465 2.160 20 0 DEADHO C[C@@H](CCC[NH3+])NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000417087918 405031484 /nfs/dbraw/zinc/03/14/84/405031484.db2.gz IQSZXOFZDWAGSW-DOTOQJQBSA-N 1 3 318.465 2.078 20 0 DEADHO CN1CCC[C@@H]1CNC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000361352131 405035154 /nfs/dbraw/zinc/03/51/54/405035154.db2.gz ONCKUBGNQYCAQS-MRXNPFEDSA-N 1 3 324.513 2.425 20 0 DEADHO C[NH2+]Cc1ccc(NC(=O)NCCN2CCC(C)CC2)cc1 ZINC000415973604 404990025 /nfs/dbraw/zinc/99/00/25/404990025.db2.gz OWSNRJIYMLELGE-UHFFFAOYSA-N 1 3 304.438 2.259 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cc(C)cc(CN)c2)C1 ZINC000424442720 405096737 /nfs/dbraw/zinc/09/67/37/405096737.db2.gz YVHFJOATXGDIFN-MRXNPFEDSA-N 1 3 304.438 2.402 20 0 DEADHO C[C@@H]1CC2(CN1CC(=O)NCC1CCCCC1)CC[NH2+]CC2 ZINC000424290573 405059216 /nfs/dbraw/zinc/05/92/16/405059216.db2.gz MVUDSFVYLOQGHQ-OAHLLOKOSA-N 1 3 307.482 2.147 20 0 DEADHO COC(=O)c1cc(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)oc1C ZINC000424368566 405076200 /nfs/dbraw/zinc/07/62/00/405076200.db2.gz ANMMZJYCAYDFLL-LBPRGKRZSA-N 1 3 306.406 2.339 20 0 DEADHO CN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCCN(C)C1 ZINC000361501472 405103105 /nfs/dbraw/zinc/10/31/05/405103105.db2.gz QPNBSVBHFYOYJN-WBVHZDCISA-N 1 3 307.482 2.194 20 0 DEADHO CN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCCN(C)C1 ZINC000361501472 405103109 /nfs/dbraw/zinc/10/31/09/405103109.db2.gz QPNBSVBHFYOYJN-WBVHZDCISA-N 1 3 307.482 2.194 20 0 DEADHO Cc1cc(C[NH3+])cc(NC(=O)N[C@H](C)C2=CCN(C)CC2)c1 ZINC000424429843 405093268 /nfs/dbraw/zinc/09/32/68/405093268.db2.gz XYJVULYGSKPVMY-CYBMUJFWSA-N 1 3 302.422 2.226 20 0 DEADHO C[C@H]1CCN(C)CCN1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418446059 405128571 /nfs/dbraw/zinc/12/85/71/405128571.db2.gz NUAHTVIKZDFZKW-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO CN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCCN(C)C1 ZINC000361501470 405103488 /nfs/dbraw/zinc/10/34/88/405103488.db2.gz QPNBSVBHFYOYJN-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCCN(C)C1 ZINC000361501470 405103493 /nfs/dbraw/zinc/10/34/93/405103493.db2.gz QPNBSVBHFYOYJN-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO CCCCN(C)CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361510011 405108290 /nfs/dbraw/zinc/10/82/90/405108290.db2.gz YFAOADTZBRSAJN-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CCCCN(C)CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361510011 405108295 /nfs/dbraw/zinc/10/82/95/405108295.db2.gz YFAOADTZBRSAJN-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000418120761 405112764 /nfs/dbraw/zinc/11/27/64/405112764.db2.gz WDIMGTMSHFVRRO-CVEARBPZSA-N 1 3 310.486 2.018 20 0 DEADHO CCCN(C(=O)NC[C@@H]1CCCCN1C1CC1)C1CC[NH2+]CC1 ZINC000418120118 405113025 /nfs/dbraw/zinc/11/30/25/405113025.db2.gz VBVGGEVKMUZURH-KRWDZBQOSA-N 1 3 322.497 2.177 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)NCC[C@H]1CC[NH2+]C1)c1ccco1 ZINC000418162317 405114304 /nfs/dbraw/zinc/11/43/04/405114304.db2.gz FWIAAHDOTZFKPL-ZNMIVQPWSA-N 1 3 322.453 2.008 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)N[C@@H](C)CCCC[NH3+] ZINC000418645730 405147576 /nfs/dbraw/zinc/14/75/76/405147576.db2.gz DKNKNAABVSTIKR-BBRMVZONSA-N 1 3 306.454 2.066 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)NCCC1=CC[NH2+]CC1 ZINC000418636354 405144945 /nfs/dbraw/zinc/14/49/45/405144945.db2.gz IBYGADBJNHCSMI-UHFFFAOYSA-N 1 3 322.497 2.204 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC[NH+]1CCCCC1)N1CCCCC1 ZINC000354313110 405153658 /nfs/dbraw/zinc/15/36/58/405153658.db2.gz WLPXVWVVAQOQMF-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CN(C)c1ncc(CN2CCC(CCC[NH+](C)C)CC2)n1C ZINC000425335186 405275595 /nfs/dbraw/zinc/27/55/95/405275595.db2.gz ICEPLSDZCDFKCM-UHFFFAOYSA-N 1 3 307.486 2.040 20 0 DEADHO CN1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000368534154 405242584 /nfs/dbraw/zinc/24/25/84/405242584.db2.gz KFZGRDIKMLSHED-QGZVFWFLSA-N 1 3 322.497 2.177 20 0 DEADHO CN1CCC(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000368534154 405242587 /nfs/dbraw/zinc/24/25/87/405242587.db2.gz KFZGRDIKMLSHED-QGZVFWFLSA-N 1 3 322.497 2.177 20 0 DEADHO CCN(CC[C@@H]1CC[NH2+]C1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000420299293 405311014 /nfs/dbraw/zinc/31/10/14/405311014.db2.gz ISNRKUCAIDWAON-DOTOQJQBSA-N 1 3 301.434 2.113 20 0 DEADHO CN(CC[C@@H]1CC[NH2+]C1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000420305532 405312503 /nfs/dbraw/zinc/31/25/03/405312503.db2.gz PNRTVRKAAMISNZ-BBRMVZONSA-N 1 3 321.852 2.377 20 0 DEADHO CCOc1ccccc1NC(=O)CCN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000420308719 405313571 /nfs/dbraw/zinc/31/35/71/405313571.db2.gz NYRLHUKOKJHYDV-RRFJBIMHSA-N 1 3 317.433 2.083 20 0 DEADHO CCCO[C@@H]1CCC[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC000420308594 405314012 /nfs/dbraw/zinc/31/40/12/405314012.db2.gz SKEQNWYKQFMWLI-QYZOEREBSA-N 1 3 320.477 2.198 20 0 DEADHO CCCO[C@@H]1CCC[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC000420308594 405314014 /nfs/dbraw/zinc/31/40/14/405314014.db2.gz SKEQNWYKQFMWLI-QYZOEREBSA-N 1 3 320.477 2.198 20 0 DEADHO CCCO[C@@H]1CCCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000420308594 405314016 /nfs/dbraw/zinc/31/40/16/405314016.db2.gz SKEQNWYKQFMWLI-QYZOEREBSA-N 1 3 320.477 2.198 20 0 DEADHO CCOc1ccccc1NC(=O)CCN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000420308720 405314116 /nfs/dbraw/zinc/31/41/16/405314116.db2.gz NYRLHUKOKJHYDV-SOUVJXGZSA-N 1 3 317.433 2.083 20 0 DEADHO CCc1cccc(CN2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000420319713 405317877 /nfs/dbraw/zinc/31/78/77/405317877.db2.gz YELNYXUMENJMCD-KRWDZBQOSA-N 1 3 303.450 2.069 20 0 DEADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000420320423 405318517 /nfs/dbraw/zinc/31/85/17/405318517.db2.gz QFEQCKWULIMQLM-HZPDHXFCSA-N 1 3 314.433 2.340 20 0 DEADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000420320423 405318519 /nfs/dbraw/zinc/31/85/19/405318519.db2.gz QFEQCKWULIMQLM-HZPDHXFCSA-N 1 3 314.433 2.340 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000420320423 405318521 /nfs/dbraw/zinc/31/85/21/405318521.db2.gz QFEQCKWULIMQLM-HZPDHXFCSA-N 1 3 314.433 2.340 20 0 DEADHO C[C@H](NC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420330984 405322286 /nfs/dbraw/zinc/32/22/86/405322286.db2.gz BGFKSFAYXIGXNL-SZMVWBNQSA-N 1 3 315.461 2.185 20 0 DEADHO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420344162 405326820 /nfs/dbraw/zinc/32/68/20/405326820.db2.gz SIBDOKSHONUWTR-RWMBFGLXSA-N 1 3 323.387 2.223 20 0 DEADHO C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420344163 405327069 /nfs/dbraw/zinc/32/70/69/405327069.db2.gz SIBDOKSHONUWTR-UPJWGTAASA-N 1 3 323.387 2.223 20 0 DEADHO CC1(C)C[NH2+]CC[C@H]1NCCC(=O)Nc1cc(F)cc(F)c1 ZINC000420364927 405333496 /nfs/dbraw/zinc/33/34/96/405333496.db2.gz POFBHDUVVQAKOF-CQSZACIVSA-N 1 3 311.376 2.271 20 0 DEADHO CC1(C)CNCC[C@H]1[NH2+]CCC(=O)Nc1cc(F)cc(F)c1 ZINC000420364927 405333498 /nfs/dbraw/zinc/33/34/98/405333498.db2.gz POFBHDUVVQAKOF-CQSZACIVSA-N 1 3 311.376 2.271 20 0 DEADHO NCc1cn([C@H]2CCC[N@H+](C[C@H]3CCCC(F)(F)C3)C2)nn1 ZINC000420374897 405337007 /nfs/dbraw/zinc/33/70/07/405337007.db2.gz HXHSUGNEPHDVQS-JSGCOSHPSA-N 1 3 313.396 2.199 20 0 DEADHO NCc1cn([C@H]2CCC[N@@H+](C[C@H]3CCCC(F)(F)C3)C2)nn1 ZINC000420374897 405337009 /nfs/dbraw/zinc/33/70/09/405337009.db2.gz HXHSUGNEPHDVQS-JSGCOSHPSA-N 1 3 313.396 2.199 20 0 DEADHO CC[C@H](NCCN1CC[NH2+]CC1)c1ccccc1OC(F)F ZINC000420383387 405339403 /nfs/dbraw/zinc/33/94/03/405339403.db2.gz ZNZRGEZMKAFMJO-AWEZNQCLSA-N 1 3 313.392 2.234 20 0 DEADHO CCCC[N@H+](C)CCNC(=O)NCCN1CCCC(C)(C)C1 ZINC000445080556 405344332 /nfs/dbraw/zinc/34/43/32/405344332.db2.gz HNXLADLANLAFFW-UHFFFAOYSA-N 1 3 312.502 2.140 20 0 DEADHO CCCC[N@@H+](C)CCNC(=O)NCCN1CCCC(C)(C)C1 ZINC000445080556 405344333 /nfs/dbraw/zinc/34/43/33/405344333.db2.gz HNXLADLANLAFFW-UHFFFAOYSA-N 1 3 312.502 2.140 20 0 DEADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCN1CCCC(C)(C)C1 ZINC000445082851 405344343 /nfs/dbraw/zinc/34/43/43/405344343.db2.gz OIICFCLUIBWTLS-MRXNPFEDSA-N 1 3 324.513 2.282 20 0 DEADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NCCN1CCCC(C)(C)C1 ZINC000445082851 405344345 /nfs/dbraw/zinc/34/43/45/405344345.db2.gz OIICFCLUIBWTLS-MRXNPFEDSA-N 1 3 324.513 2.282 20 0 DEADHO COC(=O)[C@H](CC[N@@H+]1CC[C@]2(CCN(C)C2)C1)c1ccccc1 ZINC000425445266 405291324 /nfs/dbraw/zinc/29/13/24/405291324.db2.gz MNMXLCZAVDYPMC-MJGOQNOKSA-N 1 3 316.445 2.361 20 0 DEADHO COC(=O)[C@H](CC[N@H+]1CC[C@]2(CCN(C)C2)C1)c1ccccc1 ZINC000425445266 405291327 /nfs/dbraw/zinc/29/13/27/405291327.db2.gz MNMXLCZAVDYPMC-MJGOQNOKSA-N 1 3 316.445 2.361 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CC[C@H](C3CCCC3)C2)CC1 ZINC000420959790 405415226 /nfs/dbraw/zinc/41/52/26/405415226.db2.gz FLORBAJEVAZQRM-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)N1CCCC[C@H]1C ZINC000446136519 405373902 /nfs/dbraw/zinc/37/39/02/405373902.db2.gz FXBRGNQOFHTEGL-CVEARBPZSA-N 1 3 324.513 2.375 20 0 DEADHO COc1cc2c(cc1CNC1CCC([NH+](C)C)CC1)OCO2 ZINC000421365370 405475564 /nfs/dbraw/zinc/47/55/64/405475564.db2.gz AEKOCOKUWRBEPY-UHFFFAOYSA-N 1 3 306.406 2.386 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@H]1CCC[N@H+](C)C1)N1CCCCC1 ZINC000458175264 405487050 /nfs/dbraw/zinc/48/70/50/405487050.db2.gz SRSQQGDMQWJCCE-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@H]1CCC[N@@H+](C)C1)N1CCCCC1 ZINC000458175264 405487061 /nfs/dbraw/zinc/48/70/61/405487061.db2.gz SRSQQGDMQWJCCE-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](NC(=O)[C@H](C)N1CCC2(CC[NH2+]C2)CC1)c1ccccc1 ZINC000431013234 405558943 /nfs/dbraw/zinc/55/89/43/405558943.db2.gz ICZPTXDRNKIMHA-HOTGVXAUSA-N 1 3 315.461 2.328 20 0 DEADHO Cc1cc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(C)s1 ZINC000556952420 405563014 /nfs/dbraw/zinc/56/30/14/405563014.db2.gz WMKBUFJOJNUUIE-ZDUSSCGKSA-N 1 3 321.412 2.291 20 0 DEADHO C[C@@H](C(=O)NCC1CCCCC1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431024497 405563480 /nfs/dbraw/zinc/56/34/80/405563480.db2.gz ADMVLDRMBMPNJF-HNNXBMFYSA-N 1 3 307.482 2.147 20 0 DEADHO C[C@H](CC(=O)NC[C@H](C)N1CCCC[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000430767097 405504466 /nfs/dbraw/zinc/50/44/66/405504466.db2.gz YYDJKFUFVMDLPB-LTIDMASMSA-N 1 3 309.498 2.391 20 0 DEADHO O[C@@H](CNC1CC[NH+](C2CCC2)CC1)COCc1cccs1 ZINC000577742547 405505227 /nfs/dbraw/zinc/50/52/27/405505227.db2.gz XSDWGTLOCALWOF-INIZCTEOSA-N 1 3 324.490 2.232 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430887100 405520433 /nfs/dbraw/zinc/52/04/33/405520433.db2.gz DKDLOPJLQNJOIT-DJSILETISA-N 1 3 307.482 2.286 20 0 DEADHO C[NH2+]CC1CCN([C@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000430925988 405529887 /nfs/dbraw/zinc/52/98/87/405529887.db2.gz MSNMBHJSZKLUIG-LSDHHAIUSA-N 1 3 303.450 2.184 20 0 DEADHO CC(=O)c1ccc(NC(=O)CCN2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000430958170 405545633 /nfs/dbraw/zinc/54/56/33/405545633.db2.gz RPOLHEFHKRPUFF-ZDUSSCGKSA-N 1 3 317.433 2.277 20 0 DEADHO CCN1CC[C@@H](NC(=O)N2CCC(CC)([NH+]3CCCC3)CC2)C1 ZINC000633313121 405566050 /nfs/dbraw/zinc/56/60/50/405566050.db2.gz SXEWTOFYNQGZFV-MRXNPFEDSA-N 1 3 322.497 2.131 20 0 DEADHO C[NH+](C)CC1CCN([C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528355990 405573756 /nfs/dbraw/zinc/57/37/56/405573756.db2.gz OOIKQSCTQFXWMN-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000557232563 405588930 /nfs/dbraw/zinc/58/89/30/405588930.db2.gz AEFJLOVOHNHMOA-BRWVUGGUSA-N 1 3 322.497 2.164 20 0 DEADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)C[C@@H](C)[NH3+])N(C)C)cc1 ZINC000580548687 405639584 /nfs/dbraw/zinc/63/95/84/405639584.db2.gz COIOIFYICDWVKS-FMKPAKJESA-N 1 3 306.454 2.023 20 0 DEADHO C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2CCCN2C2CCOCC2)cc1 ZINC000422873108 405689898 /nfs/dbraw/zinc/68/98/98/405689898.db2.gz KAKKBQNUQRVHCI-CXAGYDPISA-N 1 3 317.433 2.288 20 0 DEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCc1cn2c(n1)SCC2 ZINC000423068535 405699755 /nfs/dbraw/zinc/69/97/55/405699755.db2.gz KGUZTVXVTJOSHP-KGLIPLIRSA-N 1 3 308.495 2.432 20 0 DEADHO CC(C)(CCO)CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422990948 405692897 /nfs/dbraw/zinc/69/28/97/405692897.db2.gz CCCUUTFAGHZIDU-YJBOKZPZSA-N 1 3 304.434 2.241 20 0 DEADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](CO)c1ccc(F)cc1 ZINC000423177318 405712076 /nfs/dbraw/zinc/71/20/76/405712076.db2.gz HCRSXMIQCSPQNZ-POZUXBRTSA-N 1 3 316.420 2.450 20 0 DEADHO CCC[C@](C)(N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000638836161 405704423 /nfs/dbraw/zinc/70/44/23/405704423.db2.gz QUKLKTYNWDGJLJ-WDYCEAGBSA-N 1 3 317.477 2.388 20 0 DEADHO CCC[C@](C)(N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000638836161 405704427 /nfs/dbraw/zinc/70/44/27/405704427.db2.gz QUKLKTYNWDGJLJ-WDYCEAGBSA-N 1 3 317.477 2.388 20 0 DEADHO C[C@H](CCCC[NH3+])N[C@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000423161119 405708319 /nfs/dbraw/zinc/70/83/19/405708319.db2.gz NITOUEFAOGUWNP-RBSFLKMASA-N 1 3 303.450 2.460 20 0 DEADHO Clc1cc2c(c(Cl)c1)CC[C@H]2NCCN1CC[NH2+]CC1 ZINC000423203704 405721813 /nfs/dbraw/zinc/72/18/13/405721813.db2.gz MYJBYXDNVSKRAQ-OAHLLOKOSA-N 1 3 314.260 2.476 20 0 DEADHO Cc1ccc([C@@H](CCn2cncn2)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000423207914 405722433 /nfs/dbraw/zinc/72/24/33/405722433.db2.gz HJTLXRZWHJUEKR-SJLPKXTDSA-N 1 3 313.449 2.307 20 0 DEADHO C[C@H](CC(=O)N(C)c1ccccc1)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000423207517 405723022 /nfs/dbraw/zinc/72/30/22/405723022.db2.gz CVCGKTZWMYHPOF-PMPSAXMXSA-N 1 3 303.450 2.406 20 0 DEADHO C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000638850346 405713834 /nfs/dbraw/zinc/71/38/34/405713834.db2.gz DLALWFKZUJDUEA-YOEHRIQHSA-N 1 3 303.450 2.285 20 0 DEADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000423195379 405717935 /nfs/dbraw/zinc/71/79/35/405717935.db2.gz XWVADQGSZAHRCM-DZOHQFGASA-N 1 3 306.425 2.412 20 0 DEADHO CCC(N)(CC)C[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000423288496 405749956 /nfs/dbraw/zinc/74/99/56/405749956.db2.gz SLVRDHWRXVNACR-GFCCVEGCSA-N 1 3 313.467 2.226 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@]23C[C@H]2CC[NH2+]3)N2CCCC2)cc1 ZINC000423364317 405778055 /nfs/dbraw/zinc/77/80/55/405778055.db2.gz VJFDNPHCZVKBGA-AOIWGVFYSA-N 1 3 313.445 2.000 20 0 DEADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2NCCCC2(C)C)C1 ZINC000423366856 405778889 /nfs/dbraw/zinc/77/88/89/405778889.db2.gz QRHFIZKXJHGVTR-LSDHHAIUSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2NCCCC2(C)C)C1 ZINC000423366856 405778894 /nfs/dbraw/zinc/77/88/94/405778894.db2.gz QRHFIZKXJHGVTR-LSDHHAIUSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H](N)C2CCC2)CC1 ZINC000423369894 405779780 /nfs/dbraw/zinc/77/97/80/405779780.db2.gz CLHIEOJXPJGIGQ-KDOFPFPSSA-N 1 3 315.461 2.456 20 0 DEADHO CC1(C)CCCN[C@@H]1C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000423388020 405787062 /nfs/dbraw/zinc/78/70/62/405787062.db2.gz MNFJINPFZWLEIN-GOSISDBHSA-N 1 3 316.493 2.414 20 0 DEADHO CC1(C)CCC[NH2+][C@@H]1CNC1CCN(Cc2ccccn2)CC1 ZINC000423388020 405787070 /nfs/dbraw/zinc/78/70/70/405787070.db2.gz MNFJINPFZWLEIN-GOSISDBHSA-N 1 3 316.493 2.414 20 0 DEADHO CO[C@@](C)(C[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)C1CC1 ZINC000638971979 405787993 /nfs/dbraw/zinc/78/79/93/405787993.db2.gz CMQGCTGRUDOKKK-MOPGFXCFSA-N 1 3 318.461 2.158 20 0 DEADHO CC[C@@](C)(C[NH2+]Cc1ccccc1CN1CC[C@H](O)C1)OC ZINC000638977277 405793882 /nfs/dbraw/zinc/79/38/82/405793882.db2.gz QIMILUVEEYKHON-ROUUACIJSA-N 1 3 306.450 2.158 20 0 DEADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@]2(COC)CCCN2)C12CCCCC2 ZINC000423417490 405798591 /nfs/dbraw/zinc/79/85/91/405798591.db2.gz SLQSLQYGEUNHSW-ZACQAIPSSA-N 1 3 310.482 2.473 20 0 DEADHO C[C@H]1C[C@H]([NH3+])CCN1CCC(=O)NCc1ccccc1Cl ZINC000584060940 405818846 /nfs/dbraw/zinc/81/88/46/405818846.db2.gz LQFVGLSDZMUARW-GXTWGEPZSA-N 1 3 309.841 2.158 20 0 DEADHO CC1(C)[C@H]([NH2+]C[C@H]2CNCCCO2)C[C@H]1OCc1ccccc1 ZINC000423486199 405823405 /nfs/dbraw/zinc/82/34/05/405823405.db2.gz BQFWSJCDTLCGTJ-KZNAEPCWSA-N 1 3 318.461 2.338 20 0 DEADHO Cc1ccccc1CN1CCC(NC(=O)CC2(C[NH3+])CC2)CC1 ZINC000423329426 405764105 /nfs/dbraw/zinc/76/41/05/405764105.db2.gz LNWQBKMXTZNZGJ-UHFFFAOYSA-N 1 3 315.461 2.205 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc2c1CCCC2 ZINC000560080092 405769293 /nfs/dbraw/zinc/76/92/93/405769293.db2.gz KFQBEABIJYAVQD-UHFFFAOYSA-N 1 3 317.477 2.131 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H](N)c1ccccc1 ZINC000423348427 405770913 /nfs/dbraw/zinc/77/09/13/405770913.db2.gz TVJSPCOTPBKWLB-BRWVUGGUSA-N 1 3 315.461 2.456 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H](N)c1ccccc1 ZINC000423348427 405770918 /nfs/dbraw/zinc/77/09/18/405770918.db2.gz TVJSPCOTPBKWLB-BRWVUGGUSA-N 1 3 315.461 2.456 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[C@H](N)c1ccccc1 ZINC000423348138 405771700 /nfs/dbraw/zinc/77/17/00/405771700.db2.gz SSEYHXUHYQGZKM-RHSMWYFYSA-N 1 3 315.461 2.313 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[C@H](N)c1ccccc1 ZINC000423348138 405771704 /nfs/dbraw/zinc/77/17/04/405771704.db2.gz SSEYHXUHYQGZKM-RHSMWYFYSA-N 1 3 315.461 2.313 20 0 DEADHO CCC1([NH+](C)C)CCN(C(=O)[C@@H]2CCN2C2CCCC2)CC1 ZINC000636314773 405885024 /nfs/dbraw/zinc/88/50/24/405885024.db2.gz PCRYMMYWLUVAQP-INIZCTEOSA-N 1 3 307.482 2.336 20 0 DEADHO CC(C)N1CC[C@@H](N(C)C(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000457437572 405842095 /nfs/dbraw/zinc/84/20/95/405842095.db2.gz PCCDFKRIEFLGKJ-MRXNPFEDSA-N 1 3 324.513 2.375 20 0 DEADHO NC(=O)[C@H]1CCC[N@H+](CCCNCCc2cccc(Cl)c2)C1 ZINC000459422606 405897354 /nfs/dbraw/zinc/89/73/54/405897354.db2.gz FXMXZQLHOTUVKL-HNNXBMFYSA-N 1 3 323.868 2.060 20 0 DEADHO NC(=O)[C@H]1CCC[N@@H+](CCCNCCc2cccc(Cl)c2)C1 ZINC000459422606 405897361 /nfs/dbraw/zinc/89/73/61/405897361.db2.gz FXMXZQLHOTUVKL-HNNXBMFYSA-N 1 3 323.868 2.060 20 0 DEADHO [NH3+]C[C@H]1CCN(C(=O)[C@@H]2CNCc3ccccc32)c2ccccc21 ZINC000639063071 405854042 /nfs/dbraw/zinc/85/40/42/405854042.db2.gz BFPZAGHRNWPFHP-RDTXWAMCSA-N 1 3 321.424 2.353 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000639067678 405858082 /nfs/dbraw/zinc/85/80/82/405858082.db2.gz KVMGDZNETYOTHX-KFWWJZLASA-N 1 3 301.434 2.338 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])cc1 ZINC000423733460 405934465 /nfs/dbraw/zinc/93/44/65/405934465.db2.gz PYPHNRXNIIKVPZ-WMZOPIPTSA-N 1 3 303.450 2.272 20 0 DEADHO CN(C)CCN(CCCc1ccccc1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000423752286 405947056 /nfs/dbraw/zinc/94/70/56/405947056.db2.gz VZSAKEJKPSRPCC-SFHVURJKSA-N 1 3 317.477 2.152 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000457704534 405960302 /nfs/dbraw/zinc/96/03/02/405960302.db2.gz FREHQQGQVOGJDP-OAHLLOKOSA-N 1 3 312.502 2.280 20 0 DEADHO CN(C)C[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423777434 405960879 /nfs/dbraw/zinc/96/08/79/405960879.db2.gz RHUSFICZLOYCEU-WFASDCNBSA-N 1 3 309.841 2.059 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000423780987 405963228 /nfs/dbraw/zinc/96/32/28/405963228.db2.gz WXGAZJYRIKCJAE-DZGCQCFKSA-N 1 3 309.479 2.156 20 0 DEADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000423780080 405963536 /nfs/dbraw/zinc/96/35/36/405963536.db2.gz WEGAQGULOZXYCP-WQVCFCJDSA-N 1 3 323.868 2.447 20 0 DEADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[C@H](N)c2ccccc2)C1 ZINC000423790597 405966488 /nfs/dbraw/zinc/96/64/88/405966488.db2.gz XTXBBNOKUAUKQU-IXDOHACOSA-N 1 3 301.434 2.019 20 0 DEADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[C@H](N)c2ccccc2)C1 ZINC000423790597 405966497 /nfs/dbraw/zinc/96/64/97/405966497.db2.gz XTXBBNOKUAUKQU-IXDOHACOSA-N 1 3 301.434 2.019 20 0 DEADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433915451 405998768 /nfs/dbraw/zinc/99/87/68/405998768.db2.gz PTSJXJIUCFNNAX-DOTOQJQBSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000478921047 406157829 /nfs/dbraw/zinc/15/78/29/406157829.db2.gz BJIROKZHKVUVQW-CIRFHOKZSA-N 1 3 315.461 2.326 20 0 DEADHO O[C@@]1(CN2CC[C@@]3(CC3(F)F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639723573 406221822 /nfs/dbraw/zinc/22/18/22/406221822.db2.gz NCRBZWXUJVPUCM-SJORKVTESA-N 1 3 322.399 2.355 20 0 DEADHO O[C@@]1(CN2CC[C@@]3(CC3(F)F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639723573 406221824 /nfs/dbraw/zinc/22/18/24/406221824.db2.gz NCRBZWXUJVPUCM-SJORKVTESA-N 1 3 322.399 2.355 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCN(C(=O)CCc3ccccc3)C2)C1 ZINC000569239535 406226602 /nfs/dbraw/zinc/22/66/02/406226602.db2.gz YRGORHIBUKAZNB-KURKYZTESA-N 1 3 315.461 2.080 20 0 DEADHO C[C@@H](CCN1CCC[C@@](O)(C[NH+](C)C)C1)OCc1ccccc1 ZINC000639765550 406242394 /nfs/dbraw/zinc/24/23/94/406242394.db2.gz IYSITLWKGMPRGY-PKOBYXMFSA-N 1 3 320.477 2.370 20 0 DEADHO Cn1c2cc(CN3CCC4(C3)CC[NH+](C)CC4)ccc2oc1=O ZINC000639758395 406237525 /nfs/dbraw/zinc/23/75/25/406237525.db2.gz SQPQLBACGAMBCX-UHFFFAOYSA-N 1 3 315.417 2.049 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639762426 406239956 /nfs/dbraw/zinc/23/99/56/406239956.db2.gz LEIGNQKEGZWJIX-BRWVUGGUSA-N 1 3 321.509 2.488 20 0 DEADHO COc1ccc([C@@H](C)CN2CCC[C@](O)(C[NH+](C)C)C2)cc1 ZINC000639762052 406240079 /nfs/dbraw/zinc/24/00/79/406240079.db2.gz JMUWKSHAQUGJIS-YJBOKZPZSA-N 1 3 306.450 2.187 20 0 DEADHO C[C@@H]1CCC[C@H](NC(=O)CN2CCC3(C2)CC[NH+](C)CC3)[C@H]1C ZINC000639762513 406240922 /nfs/dbraw/zinc/24/09/22/406240922.db2.gz LVMOYQWAAVDVDD-IKGGRYGDSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H](CCN1CCC[C@@](O)(C[NH+](C)C)C1)OCc1ccccc1 ZINC000639765541 406242908 /nfs/dbraw/zinc/24/29/08/406242908.db2.gz IYSITLWKGMPRGY-IEBWSBKVSA-N 1 3 320.477 2.370 20 0 DEADHO CCO[C@H]1C[C@H](Nc2cc(N3CCNCC3)cc[nH+]2)C1(C)C ZINC000635010529 406398311 /nfs/dbraw/zinc/39/83/11/406398311.db2.gz SWHBQJNBQAJBFD-GJZGRUSLSA-N 1 3 304.438 2.107 20 0 DEADHO c1cc(N2CCNCC2)cc(N[C@@H]2CCCC23CCOCC3)[nH+]1 ZINC000635013510 406399226 /nfs/dbraw/zinc/39/92/26/406399226.db2.gz YUMVEZPYIHYDGI-MRXNPFEDSA-N 1 3 316.449 2.252 20 0 DEADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000570562357 406409123 /nfs/dbraw/zinc/40/91/23/406409123.db2.gz BHWNMUNVDWLOPS-AEGPPILISA-N 1 3 315.383 2.171 20 0 DEADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2C[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000521880729 406372255 /nfs/dbraw/zinc/37/22/55/406372255.db2.gz BWQIOTKRPSPAJF-BGTYHANMSA-N 1 3 315.461 2.235 20 0 DEADHO C[NH2+]CCC1CCN(C(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000571046704 406471472 /nfs/dbraw/zinc/47/14/72/406471472.db2.gz NGPQGPCZXUKRMQ-UHFFFAOYSA-N 1 3 303.450 2.210 20 0 DEADHO CCN1CCC(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000571113249 406478730 /nfs/dbraw/zinc/47/87/30/406478730.db2.gz CJMAJRNJZIVSCB-QGZVFWFLSA-N 1 3 315.461 2.109 20 0 DEADHO CCN1CCC(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000571113249 406478733 /nfs/dbraw/zinc/47/87/33/406478733.db2.gz CJMAJRNJZIVSCB-QGZVFWFLSA-N 1 3 315.461 2.109 20 0 DEADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000635267903 406480699 /nfs/dbraw/zinc/48/06/99/406480699.db2.gz UVMWJEXTRJFVEV-ZWKOTPCHSA-N 1 3 315.461 2.109 20 0 DEADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000635267903 406480700 /nfs/dbraw/zinc/48/07/00/406480700.db2.gz UVMWJEXTRJFVEV-ZWKOTPCHSA-N 1 3 315.461 2.109 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000525301404 406483435 /nfs/dbraw/zinc/48/34/35/406483435.db2.gz JCAHOVUUVCCGGV-DLBZAZTESA-N 1 3 324.513 2.090 20 0 DEADHO C[NH+](C)CC1(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000635138246 406437574 /nfs/dbraw/zinc/43/75/74/406437574.db2.gz HMUFIEBYNGEVEQ-QGZVFWFLSA-N 1 3 315.461 2.282 20 0 DEADHO CC[NH2+][C@H](C)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000638084362 406560912 /nfs/dbraw/zinc/56/09/12/406560912.db2.gz KEGOPOQCYQOOFG-ZIAGYGMSSA-N 1 3 309.479 2.074 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000525812424 406505103 /nfs/dbraw/zinc/50/51/03/406505103.db2.gz FTKUBSDFRHMGDE-NVXWUHKLSA-N 1 3 324.513 2.231 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000525812424 406505108 /nfs/dbraw/zinc/50/51/08/406505108.db2.gz FTKUBSDFRHMGDE-NVXWUHKLSA-N 1 3 324.513 2.231 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccsc1Cl ZINC000525890599 406515392 /nfs/dbraw/zinc/51/53/92/406515392.db2.gz ODTWCEMVPUJWLU-UHFFFAOYSA-N 1 3 318.874 2.359 20 0 DEADHO O=C([C@@H]1CCN1C1CCCC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000635556844 406589505 /nfs/dbraw/zinc/58/95/05/406589505.db2.gz VXFQOYFHUUUWBP-SFHVURJKSA-N 1 3 319.493 2.338 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC000572303103 406642278 /nfs/dbraw/zinc/64/22/78/406642278.db2.gz YWQSKJOLBFHNNH-YOEHRIQHSA-N 1 3 301.434 2.080 20 0 DEADHO CC[NH+]1CCC(NC(=O)NC[C@H]2CCN2C2CCCCC2)CC1 ZINC000527795930 406752848 /nfs/dbraw/zinc/75/28/48/406752848.db2.gz RTQWBLFUKQZXQH-QGZVFWFLSA-N 1 3 322.497 2.177 20 0 DEADHO CCN1CCC(NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000527795930 406752854 /nfs/dbraw/zinc/75/28/54/406752854.db2.gz RTQWBLFUKQZXQH-QGZVFWFLSA-N 1 3 322.497 2.177 20 0 DEADHO CCN1CCC(NC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527795930 406752858 /nfs/dbraw/zinc/75/28/58/406752858.db2.gz RTQWBLFUKQZXQH-QGZVFWFLSA-N 1 3 322.497 2.177 20 0 DEADHO CC[NH+]1CCC(CNC(=O)NC[C@H]2CCN2C2CCCC2)CC1 ZINC000527800796 406753843 /nfs/dbraw/zinc/75/38/43/406753843.db2.gz PWHSNZKZADWIJB-QGZVFWFLSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)/C=C\C[NH+](C)C ZINC000491924500 406779005 /nfs/dbraw/zinc/77/90/05/406779005.db2.gz JFISAEHNNUQJIP-GJBHZFNWSA-N 1 3 315.461 2.227 20 0 DEADHO C[C@@H]1CCN(C(=O)/C=C\C[NH+](C)C)CCN1Cc1ccccc1 ZINC000491912473 406775182 /nfs/dbraw/zinc/77/51/82/406775182.db2.gz VIJAJVNRHPGZBD-CGQZWFTASA-N 1 3 315.461 2.227 20 0 DEADHO C[NH+](C)CC1CCC(NC(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000646262348 406830041 /nfs/dbraw/zinc/83/00/41/406830041.db2.gz IQJVKGBJFGUQJH-PVARCSIZSA-N 1 3 315.461 2.110 20 0 DEADHO CC[NH+](CC)CC[C@H](CO)N[C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000641769403 406888419 /nfs/dbraw/zinc/88/84/19/406888419.db2.gz ATICZMLWJWJMIH-WNRNVDISSA-N 1 3 312.498 2.264 20 0 DEADHO CCOc1ccccc1NC(=O)CC[NH2+][C@H]1C[C@@H](N)C1(C)C ZINC000641802069 406895687 /nfs/dbraw/zinc/89/56/87/406895687.db2.gz HMLUTAPVPMIDQR-CABCVRRESA-N 1 3 305.422 2.129 20 0 DEADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000641803781 406896227 /nfs/dbraw/zinc/89/62/27/406896227.db2.gz HMPNJUXCUQBFAF-BRWVUGGUSA-N 1 3 315.461 2.286 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)CCCC3CC3)CC2)CC1 ZINC000643184392 406958427 /nfs/dbraw/zinc/95/84/27/406958427.db2.gz OGJCXLALNCCOGD-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO [NH3+]CC[C@@H]1CCCCN1Cc1ccc(C(=O)NC2CC2)cc1 ZINC000647541412 407017200 /nfs/dbraw/zinc/01/72/00/407017200.db2.gz XJCMIMONSAFOMA-KRWDZBQOSA-N 1 3 301.434 2.282 20 0 DEADHO NC[C@H]1C[N@H+](Cc2cccc3cnccc32)CC12CCOCC2 ZINC000647545427 407017639 /nfs/dbraw/zinc/01/76/39/407017639.db2.gz FQJKXSAKAGKIHQ-KRWDZBQOSA-N 1 3 311.429 2.422 20 0 DEADHO NC[C@H]1C[N@@H+](Cc2cccc3cnccc32)CC12CCOCC2 ZINC000647545427 407017641 /nfs/dbraw/zinc/01/76/41/407017641.db2.gz FQJKXSAKAGKIHQ-KRWDZBQOSA-N 1 3 311.429 2.422 20 0 DEADHO [NH3+]C[C@H]1CN(Cc2cccc3cnccc32)CC12CCOCC2 ZINC000647545427 407017644 /nfs/dbraw/zinc/01/76/44/407017644.db2.gz FQJKXSAKAGKIHQ-KRWDZBQOSA-N 1 3 311.429 2.422 20 0 DEADHO CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000647552543 407019949 /nfs/dbraw/zinc/01/99/49/407019949.db2.gz GALLLKGEYGHVFM-BRWVUGGUSA-N 1 3 321.509 2.332 20 0 DEADHO CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000647552543 407019950 /nfs/dbraw/zinc/01/99/50/407019950.db2.gz GALLLKGEYGHVFM-BRWVUGGUSA-N 1 3 321.509 2.332 20 0 DEADHO COc1ccc([C@H](CC(C)C)NC[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000647300024 406984356 /nfs/dbraw/zinc/98/43/56/406984356.db2.gz OWOYRNSNVMAERA-ZWKOTPCHSA-N 1 3 306.450 2.439 20 0 DEADHO COc1ccc([C@H](CC(C)C)NC[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000647300024 406984359 /nfs/dbraw/zinc/98/43/59/406984359.db2.gz OWOYRNSNVMAERA-ZWKOTPCHSA-N 1 3 306.450 2.439 20 0 DEADHO COC[C@@H](CCC[NH3+])NC[C@H](OC)c1ccccc1Cl ZINC000643467503 407003618 /nfs/dbraw/zinc/00/36/18/407003618.db2.gz NEACAMXCEZHHGO-DOMZBBRYSA-N 1 3 300.830 2.371 20 0 DEADHO O[C@@H]1CCCC[C@H]1N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643482560 407005747 /nfs/dbraw/zinc/00/57/47/407005747.db2.gz NGISJYBIAHZCEV-YFHUEUNASA-N 1 3 302.418 2.135 20 0 DEADHO CC(C)CCNC(=O)[C@H](C)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976394 407091708 /nfs/dbraw/zinc/09/17/08/407091708.db2.gz NSPALAHUNRQHQY-BBWFWOEESA-N 1 3 309.498 2.249 20 0 DEADHO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N1CCCCCC1 ZINC000647975114 407092029 /nfs/dbraw/zinc/09/20/29/407092029.db2.gz LPPBXSAELCRRFG-SJORKVTESA-N 1 3 307.482 2.101 20 0 DEADHO CS(=O)(=O)C[C@@H](NCCCC1CC[NH2+]CC1)c1ccccc1 ZINC000647992093 407096015 /nfs/dbraw/zinc/09/60/15/407096015.db2.gz DBOGUPNSICSDFM-QGZVFWFLSA-N 1 3 324.490 2.142 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@H](N)c1ccccc1 ZINC000648181044 407132307 /nfs/dbraw/zinc/13/23/07/407132307.db2.gz XPHWZPHNESWSGL-IMJJTQAJSA-N 1 3 301.434 2.113 20 0 DEADHO O=C(CC[NH2+]C[C@H]1CCN(C2CC2)C1)Nc1ccccc1F ZINC000644531835 407137345 /nfs/dbraw/zinc/13/73/45/407137345.db2.gz SVWIEPROCJAOFV-CYBMUJFWSA-N 1 3 305.397 2.228 20 0 DEADHO O=C(CCNC[C@H]1CC[N@@H+](C2CC2)C1)Nc1ccccc1F ZINC000644531835 407137346 /nfs/dbraw/zinc/13/73/46/407137346.db2.gz SVWIEPROCJAOFV-CYBMUJFWSA-N 1 3 305.397 2.228 20 0 DEADHO O=C(CCNC[C@H]1CC[N@H+](C2CC2)C1)Nc1ccccc1F ZINC000644531835 407137349 /nfs/dbraw/zinc/13/73/49/407137349.db2.gz SVWIEPROCJAOFV-CYBMUJFWSA-N 1 3 305.397 2.228 20 0 DEADHO CCc1cccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@@H](N(C)C)C2)c1 ZINC000644583784 407146572 /nfs/dbraw/zinc/14/65/72/407146572.db2.gz IKCVEVPNXNTTDY-RCCFBDPRSA-N 1 3 320.477 2.451 20 0 DEADHO CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)cc1 ZINC000644821932 407199773 /nfs/dbraw/zinc/19/97/73/407199773.db2.gz NIGVFQDKIXBVMP-ROUUACIJSA-N 1 3 315.461 2.305 20 0 DEADHO CCCN(C(=O)NCC[NH+](C(C)C)C(C)C)[C@@H]1CCN(C)C1 ZINC000645108145 407232570 /nfs/dbraw/zinc/23/25/70/407232570.db2.gz UHHJJFCXFXPVRF-MRXNPFEDSA-N 1 3 312.502 2.231 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000113597923 287010944 /nfs/dbraw/zinc/01/09/44/287010944.db2.gz HBNMFBYZGOCQMO-IAGOWNOFSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccsc1 ZINC000414199190 287018701 /nfs/dbraw/zinc/01/87/01/287018701.db2.gz QXVAAEREWHGRMN-OAHLLOKOSA-N 1 3 323.506 2.195 20 0 DEADHO CC[NH+](CC)CCCNC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000129045135 196015062 /nfs/dbraw/zinc/01/50/62/196015062.db2.gz BZBDLBZQJJIHSE-INIZCTEOSA-N 1 3 312.502 2.138 20 0 DEADHO C[C@H](NC(=O)N1CCN(C2CCCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000418346127 229317993 /nfs/dbraw/zinc/31/79/93/229317993.db2.gz PNFSCKXOBVXZDT-HOTGVXAUSA-N 1 3 322.497 2.034 20 0 DEADHO NC[C@H](NC(=O)NCC1([NH3+])CCC1)c1ccc2ccccc2c1 ZINC000418497147 229367394 /nfs/dbraw/zinc/36/73/94/229367394.db2.gz HAISLIYJIZLFMW-INIZCTEOSA-N 1 3 312.417 2.020 20 0 DEADHO C[C@@H](CCC[NH3+])NCC(=O)Nc1ccc(Br)cc1 ZINC000422689946 230165151 /nfs/dbraw/zinc/16/51/51/230165151.db2.gz FWFYBSNDXYQYHU-JTQLQIEISA-N 1 3 314.227 2.105 20 0 DEADHO COCCN(C)CC[C@H](N[C@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000422718799 230177546 /nfs/dbraw/zinc/17/75/46/230177546.db2.gz QCATWKUAGREOAC-NEWSRXKRSA-N 1 3 319.493 2.284 20 0 DEADHO c1ccc(CCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000422732472 230180869 /nfs/dbraw/zinc/18/08/69/230180869.db2.gz OLOCQVTVCUUMPN-HKUYNNGSSA-N 1 3 309.413 2.470 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(Br)cc1 ZINC000422766543 230197276 /nfs/dbraw/zinc/19/72/76/230197276.db2.gz RUAAYPMXKNIMPV-BPNCWPANSA-N 1 3 313.239 2.291 20 0 DEADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Oc1cccc(F)c1 ZINC000422789414 230209073 /nfs/dbraw/zinc/20/90/73/230209073.db2.gz OLRFPYCKIDUMET-BVPBIZIASA-N 1 3 322.424 2.340 20 0 DEADHO OC[C@@H](CN[C@H]1CCC[NH2+]CC1)Cc1c(F)cccc1Cl ZINC000422795602 230213639 /nfs/dbraw/zinc/21/36/39/230213639.db2.gz HVILMSABJUCGQJ-OLZOCXBDSA-N 1 3 314.832 2.362 20 0 DEADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)COc1ccc(F)cc1 ZINC000422902417 230269953 /nfs/dbraw/zinc/26/99/53/230269953.db2.gz UTUFLHJDYMKPMU-LAVFITLUSA-N 1 3 322.424 2.076 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000422909482 230273184 /nfs/dbraw/zinc/27/31/84/230273184.db2.gz OEGFGNBEIIESCV-MELADBBJSA-N 1 3 323.506 2.296 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCCc1nc2c(s1)CCCC2 ZINC000422909482 230273185 /nfs/dbraw/zinc/27/31/85/230273185.db2.gz OEGFGNBEIIESCV-MELADBBJSA-N 1 3 323.506 2.296 20 0 DEADHO CSC1(CN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])CCOCC1 ZINC000422927485 230280617 /nfs/dbraw/zinc/28/06/17/230280617.db2.gz ZDKYDBYTCAUXHC-ZBFHGGJFSA-N 1 3 308.491 2.447 20 0 DEADHO COc1cc(OC)cc(OCCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422929329 230281996 /nfs/dbraw/zinc/28/19/96/230281996.db2.gz PHSDYTZAFOTXKU-YIONKMFJSA-N 1 3 320.433 2.345 20 0 DEADHO COc1cc(OC)cc(OCCC[NH2+][C@@H]2CCNCC[C@@H]2C)c1 ZINC000422930409 230282848 /nfs/dbraw/zinc/28/28/48/230282848.db2.gz UFYCOXGIBAGHNH-KBXCAEBGSA-N 1 3 322.449 2.450 20 0 DEADHO COc1cc(OC)cc(OCCCN[C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422930409 230282850 /nfs/dbraw/zinc/28/28/50/230282850.db2.gz UFYCOXGIBAGHNH-KBXCAEBGSA-N 1 3 322.449 2.450 20 0 DEADHO C[C@H]1CC[NH2+]C[C@@H]1NCCCOCCOCc1ccccc1 ZINC000423042021 230328181 /nfs/dbraw/zinc/32/81/81/230328181.db2.gz KFCLUFPYUBDMJY-WMZOPIPTSA-N 1 3 306.450 2.198 20 0 DEADHO Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2ccc(CN)nc2C)cc1 ZINC000423057912 230332619 /nfs/dbraw/zinc/33/26/19/230332619.db2.gz ILOXXSDJKQNDQY-QAPCUYQASA-N 1 3 313.445 2.411 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@H]1CSCCN1Cc1ccccc1 ZINC000423073999 230339672 /nfs/dbraw/zinc/33/96/72/230339672.db2.gz KLJMBIGWLDGTBV-OKZBNKHCSA-N 1 3 319.518 2.321 20 0 DEADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CSCCN1Cc1ccccc1 ZINC000423073999 230339675 /nfs/dbraw/zinc/33/96/75/230339675.db2.gz KLJMBIGWLDGTBV-OKZBNKHCSA-N 1 3 319.518 2.321 20 0 DEADHO c1c(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)nc2n1CCS2 ZINC000423075012 230340521 /nfs/dbraw/zinc/34/05/21/230340521.db2.gz WAYBMEZDGHCQJB-ZNMIVQPWSA-N 1 3 306.479 2.042 20 0 DEADHO Cc1ccnc(-c2nnc([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])[n-]2)c1 ZINC000423080078 230343057 /nfs/dbraw/zinc/34/30/57/230343057.db2.gz BIHNZZNQYHXEJH-CHWSQXEVSA-N 1 3 302.426 2.343 20 0 DEADHO CC(C)(C[NH+]1CCCC1)NC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000637469514 424852788 /nfs/dbraw/zinc/85/27/88/424852788.db2.gz BVAIOKAUKNDOGD-MRXNPFEDSA-N 1 3 322.497 2.177 20 0 DEADHO NC1(C(=O)NCc2ccccc2C[NH+]2CCCC2)CCCC1 ZINC000195139537 424880578 /nfs/dbraw/zinc/88/05/78/424880578.db2.gz POPNEFXPVSMKSJ-UHFFFAOYSA-N 1 3 301.434 2.170 20 0 DEADHO CC(C)N(C)CC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000195309571 424882432 /nfs/dbraw/zinc/88/24/32/424882432.db2.gz CXEUICSJVVCPRT-UHFFFAOYSA-N 1 3 303.450 2.239 20 0 DEADHO Cc1ccc(OC[C@H](O)C[NH2+]C[C@H](C)CN2CCCC2)c(C)c1 ZINC000390172734 424916214 /nfs/dbraw/zinc/91/62/14/424916214.db2.gz GCMCEQWSQQFYFW-FUHWJXTLSA-N 1 3 320.477 2.365 20 0 DEADHO Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@H](C)CN1CCCC1 ZINC000390003881 424916817 /nfs/dbraw/zinc/91/68/17/424916817.db2.gz KXMKEEOJLJCYBU-YJBOKZPZSA-N 1 3 320.477 2.365 20 0 DEADHO C[C@]1(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]C1 ZINC000390759139 424917304 /nfs/dbraw/zinc/91/73/04/424917304.db2.gz YJWIMILPOVNXQH-MJGOQNOKSA-N 1 3 315.461 2.014 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@H]2CCCCCN2)C1 ZINC000649307200 424989700 /nfs/dbraw/zinc/98/97/00/424989700.db2.gz ADSFEXKRWXAJKO-BZUAXINKSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000649336617 424996833 /nfs/dbraw/zinc/99/68/33/424996833.db2.gz IPQXWYQZYCLDOA-OIISXLGYSA-N 1 3 315.461 2.011 20 0 DEADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000649342928 424998292 /nfs/dbraw/zinc/99/82/92/424998292.db2.gz XQCJSJMFNNVGFN-HKUYNNGSSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@H](CNC(=O)N(C)CCN1CCCCC1)C[NH+]1CCCCC1 ZINC000650710200 425039096 /nfs/dbraw/zinc/03/90/96/425039096.db2.gz HMZOGVCGWFZHNT-QGZVFWFLSA-N 1 3 324.513 2.236 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)N1CCCN(C(C)C)CC1 ZINC000651192392 425113756 /nfs/dbraw/zinc/11/37/56/425113756.db2.gz MAJMEPXMBFPMPI-UHFFFAOYSA-N 1 3 312.502 2.090 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)N1CCCN(C(C)C)CC1 ZINC000651192392 425113759 /nfs/dbraw/zinc/11/37/59/425113759.db2.gz MAJMEPXMBFPMPI-UHFFFAOYSA-N 1 3 312.502 2.090 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)NCCC[NH+]1CCCCC1 ZINC000663500062 425173073 /nfs/dbraw/zinc/17/30/73/425173073.db2.gz MZZMOWXWNBYHSS-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO Cc1cccc2c1CCC[C@H]2[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000663502498 425174093 /nfs/dbraw/zinc/17/40/93/425174093.db2.gz HZFLARWBLJMUMD-MAUKXSAKSA-N 1 3 315.461 2.159 20 0 DEADHO CCN(C(=O)Nc1ccccc1CC[NH+](C)C)[C@H]1CCN(C)C1 ZINC000666839322 425194615 /nfs/dbraw/zinc/19/46/15/425194615.db2.gz UITCQQQXPNTKKU-INIZCTEOSA-N 1 3 318.465 2.349 20 0 DEADHO NCc1cccc(NC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663595617 425194758 /nfs/dbraw/zinc/19/47/58/425194758.db2.gz IAKCXPHEWGVGOQ-INIZCTEOSA-N 1 3 316.449 2.389 20 0 DEADHO NCc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663595617 425194760 /nfs/dbraw/zinc/19/47/60/425194760.db2.gz IAKCXPHEWGVGOQ-INIZCTEOSA-N 1 3 316.449 2.389 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](NCc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000666852288 425198007 /nfs/dbraw/zinc/19/80/07/425198007.db2.gz ZQFXOJFCTSAUDC-KGLIPLIRSA-N 1 3 314.389 2.165 20 0 DEADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cc3cnccc3o2)CC1 ZINC000651705236 425144291 /nfs/dbraw/zinc/14/42/91/425144291.db2.gz MHIUJBJMZNIHKC-OAHLLOKOSA-N 1 3 316.449 2.191 20 0 DEADHO C[C@@H]1CCCCC[C@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000651830530 425149088 /nfs/dbraw/zinc/14/90/88/425149088.db2.gz WYLVAYCSSKVCIC-QZTJIDSGSA-N 1 3 323.525 2.341 20 0 DEADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC[C@@]2(O)CCOC2)CC1 ZINC000651944351 425153067 /nfs/dbraw/zinc/15/30/67/425153067.db2.gz SXSDOGMSUPGCGR-BPQIPLTHSA-N 1 3 310.482 2.161 20 0 DEADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CC[C@@]2(O)CCOC2)CC1 ZINC000651944351 425153068 /nfs/dbraw/zinc/15/30/68/425153068.db2.gz SXSDOGMSUPGCGR-BPQIPLTHSA-N 1 3 310.482 2.161 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000666662547 425155214 /nfs/dbraw/zinc/15/52/14/425155214.db2.gz COXAIJDOLRKFKP-MRXNPFEDSA-N 1 3 324.513 2.375 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000666662547 425155218 /nfs/dbraw/zinc/15/52/18/425155218.db2.gz COXAIJDOLRKFKP-MRXNPFEDSA-N 1 3 324.513 2.375 20 0 DEADHO CC[C@H](NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC)C1CC1 ZINC000666685386 425161492 /nfs/dbraw/zinc/16/14/92/425161492.db2.gz FBTKYIITKCDFKI-IRXDYDNUSA-N 1 3 324.513 2.233 20 0 DEADHO CC[C@H](NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC)C1CC1 ZINC000666685386 425161494 /nfs/dbraw/zinc/16/14/94/425161494.db2.gz FBTKYIITKCDFKI-IRXDYDNUSA-N 1 3 324.513 2.233 20 0 DEADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H](CO)CCF)CC1 ZINC000652018478 425162534 /nfs/dbraw/zinc/16/25/34/425162534.db2.gz UNAHEXRYEZGMLH-QGZVFWFLSA-N 1 3 323.456 2.029 20 0 DEADHO CC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000660573294 425163975 /nfs/dbraw/zinc/16/39/75/425163975.db2.gz HZQMUKUXHOGCOU-KRWDZBQOSA-N 1 3 322.497 2.033 20 0 DEADHO CCN(C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1)[C@@H]1CCN(C)C1 ZINC000663773260 425232480 /nfs/dbraw/zinc/23/24/80/425232480.db2.gz DKFYDZRWKUTVGX-JZXOWHBKSA-N 1 3 324.513 2.233 20 0 DEADHO CCN1CCC([N@@H+]2CCCN([C@@H]3COC(C)(C)C3)CC2)CC1 ZINC000660832825 425248758 /nfs/dbraw/zinc/24/87/58/425248758.db2.gz BWXJSTCVJPVQBA-KRWDZBQOSA-N 1 3 309.498 2.046 20 0 DEADHO CCN1CCC([N@H+]2CCCN([C@@H]3COC(C)(C)C3)CC2)CC1 ZINC000660832825 425248763 /nfs/dbraw/zinc/24/87/63/425248763.db2.gz BWXJSTCVJPVQBA-KRWDZBQOSA-N 1 3 309.498 2.046 20 0 DEADHO C[C@H](CNC(=O)NC[C@H]1CCN1C(C)(C)C)C[NH+]1CCCCC1 ZINC000660833009 425249610 /nfs/dbraw/zinc/24/96/10/425249610.db2.gz JHKJFGMOSJVUSQ-HZPDHXFCSA-N 1 3 324.513 2.280 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]Cc2cnn3c2CCC3)[C@@H](C)C1 ZINC000657364095 425318554 /nfs/dbraw/zinc/31/85/54/425318554.db2.gz SLMYJULLADXCRC-RDJZCZTQSA-N 1 3 320.481 2.056 20 0 DEADHO Cn1nc(C(F)(F)F)cc1CNCC1(C)CC[NH+](C)CC1 ZINC000657430473 425330410 /nfs/dbraw/zinc/33/04/10/425330410.db2.gz OOYBITHGRGMRSP-UHFFFAOYSA-N 1 3 304.360 2.260 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cc(COC)cs2)CC1 ZINC000657311176 425300073 /nfs/dbraw/zinc/30/00/73/425300073.db2.gz VALYGVWSLBEQNU-AWEZNQCLSA-N 1 3 311.495 2.010 20 0 DEADHO C[C@@H](CNC(=O)NCC[C@H](C)[NH+](C)C)N(C)Cc1ccccc1 ZINC000664069205 425300371 /nfs/dbraw/zinc/30/03/71/425300371.db2.gz ARKZTKSSKQVMIC-HOTGVXAUSA-N 1 3 320.481 2.146 20 0 DEADHO C[NH+](C)CC1(CNC(=O)NC[C@@H]2CCN2C(C)(C)C)CCCC1 ZINC000661080241 425315025 /nfs/dbraw/zinc/31/50/25/425315025.db2.gz KXOZHECDPNVHHK-HNNXBMFYSA-N 1 3 324.513 2.280 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000661198197 425348571 /nfs/dbraw/zinc/34/85/71/425348571.db2.gz LKUZEJPEOGLBIN-HUUCEWRRSA-N 1 3 312.502 2.279 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000661198197 425348573 /nfs/dbraw/zinc/34/85/73/425348573.db2.gz LKUZEJPEOGLBIN-HUUCEWRRSA-N 1 3 312.502 2.279 20 0 DEADHO CN(C)CCC[N@H+](C)CCNc1ccc(OC(F)(F)F)cn1 ZINC000664247940 425344654 /nfs/dbraw/zinc/34/46/54/425344654.db2.gz KRASMDUSRYIJQV-UHFFFAOYSA-N 1 3 320.359 2.276 20 0 DEADHO CN(C)CCC[N@@H+](C)CCNc1ccc(OC(F)(F)F)cn1 ZINC000664247940 425344657 /nfs/dbraw/zinc/34/46/57/425344657.db2.gz KRASMDUSRYIJQV-UHFFFAOYSA-N 1 3 320.359 2.276 20 0 DEADHO CN(C)CCC[N@H+](C)CCNc1nc2ccccc2cc1CO ZINC000664248198 425345243 /nfs/dbraw/zinc/34/52/43/425345243.db2.gz XSTYHKKHDTVCOD-UHFFFAOYSA-N 1 3 316.449 2.023 20 0 DEADHO CN(C)CCC[N@@H+](C)CCNc1nc2ccccc2cc1CO ZINC000664248198 425345247 /nfs/dbraw/zinc/34/52/47/425345247.db2.gz XSTYHKKHDTVCOD-UHFFFAOYSA-N 1 3 316.449 2.023 20 0 DEADHO CCN(C(=O)NCCC[NH+](C(C)C)C(C)C)[C@@H]1CCN(C)C1 ZINC000664285653 425352110 /nfs/dbraw/zinc/35/21/10/425352110.db2.gz JDFMTQNWLJIHAI-MRXNPFEDSA-N 1 3 312.502 2.231 20 0 DEADHO CN1C[C@@H](C[NH2+]Cc2cnn3c2CCC3)[C@H](c2ccccc2)C1 ZINC000657500129 425353032 /nfs/dbraw/zinc/35/30/32/425353032.db2.gz KLNBMTOIFRALKK-MSOLQXFVSA-N 1 3 310.445 2.264 20 0 DEADHO Cc1ccc(CNCC2CC[NH+](C3CCOCC3)CC2)nc1 ZINC000657536228 425359296 /nfs/dbraw/zinc/35/92/96/425359296.db2.gz YLLPDYLNRJHRRL-UHFFFAOYSA-N 1 3 303.450 2.371 20 0 DEADHO C[N@H+](CCCCNC(=O)N[C@H]1CCCN2CCCC[C@@H]12)C1CC1 ZINC000654588211 425391285 /nfs/dbraw/zinc/39/12/85/425391285.db2.gz SJSIENGGEHOHSC-IRXDYDNUSA-N 1 3 322.497 2.177 20 0 DEADHO C[N@@H+](CCCCNC(=O)N[C@H]1CCCN2CCCC[C@@H]12)C1CC1 ZINC000654588211 425391289 /nfs/dbraw/zinc/39/12/89/425391289.db2.gz SJSIENGGEHOHSC-IRXDYDNUSA-N 1 3 322.497 2.177 20 0 DEADHO C[NH+](C)C1CCC(NC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000654596446 425394724 /nfs/dbraw/zinc/39/47/24/425394724.db2.gz PJNKHKDWLQVTDE-BACDZXNISA-N 1 3 322.497 2.175 20 0 DEADHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)Cn2cncn2)cc1 ZINC000657827836 425405733 /nfs/dbraw/zinc/40/57/33/425405733.db2.gz QLZKMAUSKFNOMD-HNNXBMFYSA-N 1 3 301.438 2.298 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+][C@H]2CCCn3nccc32)[C@H](C)C1 ZINC000657884149 425412384 /nfs/dbraw/zinc/41/23/84/425412384.db2.gz LEFXUZKLQFMNTL-IKGGRYGDSA-N 1 3 320.481 2.445 20 0 DEADHO COc1cccc(CN[C@@H](C)CN(C)CCC[NH+](C)C)c1F ZINC000657573202 425368310 /nfs/dbraw/zinc/36/83/10/425368310.db2.gz MMGKAFPVYQERIA-AWEZNQCLSA-N 1 3 311.445 2.196 20 0 DEADHO O[C@@H]1CCN(Cc2ccc(C[NH2+]C[C@@H]3CCSC3)cc2)C1 ZINC000657594827 425370684 /nfs/dbraw/zinc/37/06/84/425370684.db2.gz CZCHRGXYIFMLIG-DLBZAZTESA-N 1 3 306.475 2.096 20 0 DEADHO Oc1cccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1 ZINC000657593959 425371058 /nfs/dbraw/zinc/37/10/58/425371058.db2.gz DOCXHRKHKCGWTC-IBGZPJMESA-N 1 3 312.413 2.249 20 0 DEADHO Oc1cccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1 ZINC000657593959 425371061 /nfs/dbraw/zinc/37/10/61/425371061.db2.gz DOCXHRKHKCGWTC-IBGZPJMESA-N 1 3 312.413 2.249 20 0 DEADHO OCc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)o1 ZINC000657613351 425375508 /nfs/dbraw/zinc/37/55/08/425375508.db2.gz ZIXBZZCYUDFWMO-UHFFFAOYSA-N 1 3 315.417 2.169 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654569605 425383626 /nfs/dbraw/zinc/38/36/26/425383626.db2.gz KXQHBQNHMQDDAP-ZACQAIPSSA-N 1 3 324.513 2.423 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654569605 425383629 /nfs/dbraw/zinc/38/36/29/425383629.db2.gz KXQHBQNHMQDDAP-ZACQAIPSSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCn3nccc32)C[C@H](C)O1 ZINC000657920087 425416786 /nfs/dbraw/zinc/41/67/86/425416786.db2.gz WADIDDUOLIDJRM-OWCLPIDISA-N 1 3 306.454 2.197 20 0 DEADHO CN(C)CCOc1cc(C[NH2+][C@H]2CCCSCC2)ccn1 ZINC000657934911 425418601 /nfs/dbraw/zinc/41/86/01/425418601.db2.gz HQTMNQTXSKMLJC-HNNXBMFYSA-N 1 3 309.479 2.397 20 0 DEADHO C[C@H](NCCOCC[NH+](C)C)c1cncc(Br)c1 ZINC000657987485 425424815 /nfs/dbraw/zinc/42/48/15/425424815.db2.gz PKPDDYFXIMCSOR-NSHDSACASA-N 1 3 316.243 2.073 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000653176020 425426274 /nfs/dbraw/zinc/42/62/74/425426274.db2.gz IAPHXJQTRQSFLG-DOTOQJQBSA-N 1 3 305.466 2.417 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000653176020 425426278 /nfs/dbraw/zinc/42/62/78/425426278.db2.gz IAPHXJQTRQSFLG-DOTOQJQBSA-N 1 3 305.466 2.417 20 0 DEADHO CC(=O)NCc1ccc(CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000658079439 425435305 /nfs/dbraw/zinc/43/53/05/425435305.db2.gz ZLYXRZBFOLDOHN-UHFFFAOYSA-N 1 3 301.434 2.039 20 0 DEADHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccnc1 ZINC000658138776 425443515 /nfs/dbraw/zinc/44/35/15/425443515.db2.gz NZBLJEALEJXAJW-BEFAXECRSA-N 1 3 311.429 2.499 20 0 DEADHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccnc1 ZINC000658138776 425443520 /nfs/dbraw/zinc/44/35/20/425443520.db2.gz NZBLJEALEJXAJW-BEFAXECRSA-N 1 3 311.429 2.499 20 0 DEADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccncc1 ZINC000658139683 425443747 /nfs/dbraw/zinc/44/37/47/425443747.db2.gz RAJKCQULEATOTP-KXBFYZLASA-N 1 3 311.429 2.499 20 0 DEADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccncc1 ZINC000658139683 425443752 /nfs/dbraw/zinc/44/37/52/425443752.db2.gz RAJKCQULEATOTP-KXBFYZLASA-N 1 3 311.429 2.499 20 0 DEADHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@H]3COC4(CCC4)C3)cc2)C1 ZINC000658139027 425444562 /nfs/dbraw/zinc/44/45/62/425444562.db2.gz PYPXJISRKGTPAW-QZTJIDSGSA-N 1 3 316.445 2.054 20 0 DEADHO C[C@H]([NH2+][C@@H](C)C1(CO)CC1)c1ccc(OCCN(C)C)cc1 ZINC000658160311 425448005 /nfs/dbraw/zinc/44/80/05/425448005.db2.gz NCEWWFYEHNVDRK-GJZGRUSLSA-N 1 3 306.450 2.439 20 0 DEADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccncn1 ZINC000658167478 425449753 /nfs/dbraw/zinc/44/97/53/425449753.db2.gz YDEZOGCHHJEJJA-HNNXBMFYSA-N 1 3 311.433 2.434 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000654920704 425466702 /nfs/dbraw/zinc/46/67/02/425466702.db2.gz JSVWJAJKLVPLBJ-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CC1(C)CC[N@H+](CC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC000654920704 425466705 /nfs/dbraw/zinc/46/67/05/425466705.db2.gz JSVWJAJKLVPLBJ-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CC1(C)CC[N@@H+](CC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC000654920704 425466709 /nfs/dbraw/zinc/46/67/09/425466709.db2.gz JSVWJAJKLVPLBJ-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO C[N@H+](C[C@H](O)CN[C@H]1C[C@@H](OC(C)(C)C)C12CCC2)C1CC1 ZINC000661839830 425510644 /nfs/dbraw/zinc/51/06/44/425510644.db2.gz KPWBABGHWUGUBC-OWCLPIDISA-N 1 3 310.482 2.157 20 0 DEADHO C[N@@H+](C[C@H](O)CN[C@H]1C[C@@H](OC(C)(C)C)C12CCC2)C1CC1 ZINC000661839830 425510646 /nfs/dbraw/zinc/51/06/46/425510646.db2.gz KPWBABGHWUGUBC-OWCLPIDISA-N 1 3 310.482 2.157 20 0 DEADHO CN(C[C@H]1CCCN1C)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000661854084 425513742 /nfs/dbraw/zinc/51/37/42/425513742.db2.gz HANMTAPKHKEUMT-NVXWUHKLSA-N 1 3 322.497 2.129 20 0 DEADHO CN(C[C@H]1CCCN1C)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000661854084 425513744 /nfs/dbraw/zinc/51/37/44/425513744.db2.gz HANMTAPKHKEUMT-NVXWUHKLSA-N 1 3 322.497 2.129 20 0 DEADHO CCN1CCC(NC(=O)C[NH2+][C@H](C)C2CCC(F)CC2)CC1 ZINC000662006682 425539783 /nfs/dbraw/zinc/53/97/83/425539783.db2.gz VQVZKMPJMKUJJN-WLYUNCDWSA-N 1 3 313.461 2.093 20 0 DEADHO O=C(N[C@H]1CCCN2CCCC[C@H]12)C1C[NH+](C2CCCCC2)C1 ZINC000655349919 425539948 /nfs/dbraw/zinc/53/99/48/425539948.db2.gz MKVGBLDRUZTDHO-ZWKOTPCHSA-N 1 3 319.493 2.384 20 0 DEADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000665357671 425552646 /nfs/dbraw/zinc/55/26/46/425552646.db2.gz SIPVGRGNXMLDPT-OWCLPIDISA-N 1 3 322.497 2.127 20 0 DEADHO CO[C@H](CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1ccccc1 ZINC000662273791 425610438 /nfs/dbraw/zinc/61/04/38/425610438.db2.gz PELLJMGXCPIDCE-KURKYZTESA-N 1 3 304.434 2.202 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655445434 425568690 /nfs/dbraw/zinc/56/86/90/425568690.db2.gz XBUAKIDMLJUDPA-RDTXWAMCSA-N 1 3 317.433 2.085 20 0 DEADHO CCN(CC)[C@H](CNC(=O)CC[NH2+]C1CC1)c1ccsc1 ZINC000655444930 425568783 /nfs/dbraw/zinc/56/87/83/425568783.db2.gz YGUVOXFQHIZQDT-OAHLLOKOSA-N 1 3 309.479 2.389 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655445431 425569274 /nfs/dbraw/zinc/56/92/74/425569274.db2.gz XBUAKIDMLJUDPA-KBXCAEBGSA-N 1 3 317.433 2.085 20 0 DEADHO [NH3+]C[C@@H](NC(=O)C[C@@H]1NCc2ccccc21)C1CCCCC1 ZINC000659297581 425570287 /nfs/dbraw/zinc/57/02/87/425570287.db2.gz QEDZVTHLSOCDII-DLBZAZTESA-N 1 3 301.434 2.245 20 0 DEADHO [NH3+]C[C@H](NC(=O)C[C@@H]1NCc2ccccc21)C1CCCCC1 ZINC000659297587 425570315 /nfs/dbraw/zinc/57/03/15/425570315.db2.gz QEDZVTHLSOCDII-IRXDYDNUSA-N 1 3 301.434 2.245 20 0 DEADHO NC[C@H](NC(=O)[C@@H]1C[C@]12CCC[NH2+]C2)c1ccc2ccccc2c1 ZINC000655457869 425572724 /nfs/dbraw/zinc/57/27/24/425572724.db2.gz GLQQUJAYMHQMPW-BJLQDIEVSA-N 1 3 323.440 2.346 20 0 DEADHO CO[C@H](C[NH+]1CCC(N2CC[C@@H](O)C2)CC1)C1CCCCC1 ZINC000662148889 425575333 /nfs/dbraw/zinc/57/53/33/425575333.db2.gz LIMCTALNNRDZAF-QZTJIDSGSA-N 1 3 310.482 2.113 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655467776 425575490 /nfs/dbraw/zinc/57/54/90/425575490.db2.gz JNSXPRIPLKKTKM-MJGOQNOKSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C[C@H]1NCc2ccccc21 ZINC000659325695 425578129 /nfs/dbraw/zinc/57/81/29/425578129.db2.gz XKCKPWZHDYYNQG-KBRIMQKVSA-N 1 3 301.434 2.020 20 0 DEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C[C@H]1NCc2ccccc21 ZINC000659325695 425578134 /nfs/dbraw/zinc/57/81/34/425578134.db2.gz XKCKPWZHDYYNQG-KBRIMQKVSA-N 1 3 301.434 2.020 20 0 DEADHO [NH3+]Cc1ccc(CNC(=O)C[C@H]2NCc3ccccc32)c(F)c1 ZINC000659327343 425578283 /nfs/dbraw/zinc/57/82/83/425578283.db2.gz BMKGYBWCQCNEAY-QGZVFWFLSA-N 1 3 313.376 2.135 20 0 DEADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000665552589 425593567 /nfs/dbraw/zinc/59/35/67/425593567.db2.gz FGHVSEFMGVMRSH-OWCLPIDISA-N 1 3 322.497 2.127 20 0 DEADHO CC(C)[C@@H]1CCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665640437 425611338 /nfs/dbraw/zinc/61/13/38/425611338.db2.gz UUMIBYJAFLKUHC-HOTGVXAUSA-N 1 3 312.502 2.088 20 0 DEADHO CC(C)[C@@H]1CCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665640437 425611339 /nfs/dbraw/zinc/61/13/39/425611339.db2.gz UUMIBYJAFLKUHC-HOTGVXAUSA-N 1 3 312.502 2.088 20 0 DEADHO Cc1ccccc1OCCC[N@@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662251347 425601663 /nfs/dbraw/zinc/60/16/63/425601663.db2.gz ABOBGCNMULROMO-MRXNPFEDSA-N 1 3 304.434 2.217 20 0 DEADHO Cc1ccccc1OCCC[N@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662251347 425601665 /nfs/dbraw/zinc/60/16/65/425601665.db2.gz ABOBGCNMULROMO-MRXNPFEDSA-N 1 3 304.434 2.217 20 0 DEADHO CCN(Cc1ccc(OC)c(OC)c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249322 425602737 /nfs/dbraw/zinc/60/27/37/425602737.db2.gz TTZMEOYSIWPKDR-OAHLLOKOSA-N 1 3 320.433 2.047 20 0 DEADHO COc1ccc(C2CC[NH+](C[C@@H]3CCC4(CNC4)O3)CC2)cc1 ZINC000662253971 425602745 /nfs/dbraw/zinc/60/27/45/425602745.db2.gz CPQMGCLISKHFMO-SFHVURJKSA-N 1 3 316.445 2.396 20 0 DEADHO CCCCO[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCC3(CNC3)O2)C1(C)C ZINC000662258124 425604604 /nfs/dbraw/zinc/60/46/04/425604604.db2.gz IKCVOZVTHKWTHT-HRCADAONSA-N 1 3 310.482 2.423 20 0 DEADHO CCCCO[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCC3(CNC3)O2)C1(C)C ZINC000662258124 425604606 /nfs/dbraw/zinc/60/46/06/425604606.db2.gz IKCVOZVTHKWTHT-HRCADAONSA-N 1 3 310.482 2.423 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000662475259 425660828 /nfs/dbraw/zinc/66/08/28/425660828.db2.gz CCBVPFKYLUTJKG-SFHVURJKSA-N 1 3 315.461 2.459 20 0 DEADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662483875 425663342 /nfs/dbraw/zinc/66/33/42/425663342.db2.gz YQZMXSQQJRUZQR-PBHICJAKSA-N 1 3 301.434 2.021 20 0 DEADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662483875 425663345 /nfs/dbraw/zinc/66/33/45/425663345.db2.gz YQZMXSQQJRUZQR-PBHICJAKSA-N 1 3 301.434 2.021 20 0 DEADHO CO[C@H](CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1)[C@@H]1CCOC1 ZINC000659864930 425674308 /nfs/dbraw/zinc/67/43/08/425674308.db2.gz NNOLTRRMELWHQG-GUDVDZBRSA-N 1 3 324.509 2.482 20 0 DEADHO CO[C@H](C[N@@H+]1CCC[C@H](CN2CCC(C)CC2)C1)[C@@H]1CCOC1 ZINC000659864930 425674311 /nfs/dbraw/zinc/67/43/11/425674311.db2.gz NNOLTRRMELWHQG-GUDVDZBRSA-N 1 3 324.509 2.482 20 0 DEADHO CO[C@H](C[N@H+]1CCC[C@H](CN2CCC(C)CC2)C1)[C@@H]1CCOC1 ZINC000659864930 425674316 /nfs/dbraw/zinc/67/43/16/425674316.db2.gz NNOLTRRMELWHQG-GUDVDZBRSA-N 1 3 324.509 2.482 20 0 DEADHO C[C@H](C(=O)N1CCC(C)CC1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291434 425613881 /nfs/dbraw/zinc/61/38/81/425613881.db2.gz SGLVNXWSTXBELD-SJLPKXTDSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H](C(=O)N1CCCCCC1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290743 425614864 /nfs/dbraw/zinc/61/48/64/425614864.db2.gz JDLJNYLAULBDEQ-WMZOPIPTSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H](NC(=O)NCC1([NH3+])CCCC1)[C@@H](c1ccccc1)N(C)C ZINC000659492863 425614931 /nfs/dbraw/zinc/61/49/31/425614931.db2.gz RZQFGXAVBSLOAU-ZBFHGGJFSA-N 1 3 318.465 2.249 20 0 DEADHO CC[C@@H](C)N[C@H](CNC(=O)NCC[C@@H]([NH3+])C(C)C)c1ccco1 ZINC000659493289 425615011 /nfs/dbraw/zinc/61/50/11/425615011.db2.gz XALIMRFZMMMCHN-RBSFLKMASA-N 1 3 324.469 2.381 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)N(C)CC(C)(C)[NH3+])cc1 ZINC000659511961 425618425 /nfs/dbraw/zinc/61/84/25/425618425.db2.gz KOADFTGSXSTLSV-HNNXBMFYSA-N 1 3 306.454 2.189 20 0 DEADHO CC(C)CN(C(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+])C1CC1 ZINC000662317116 425622036 /nfs/dbraw/zinc/62/20/36/425622036.db2.gz ZTJDVPDIMFGSBT-NVXWUHKLSA-N 1 3 309.498 2.473 20 0 DEADHO Cc1nccn1CCCCN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325031 425624354 /nfs/dbraw/zinc/62/43/54/425624354.db2.gz HAHMCDPXNKGTFB-KRWDZBQOSA-N 1 3 308.470 2.014 20 0 DEADHO C[C@@H]1CCC[C@@](C[NH2+]C2CCN([C@H]3CCOC3)CC2)(N(C)C)C1 ZINC000655697792 425630882 /nfs/dbraw/zinc/63/08/82/425630882.db2.gz VYRKEZWPIOZACW-NZSAHSFTSA-N 1 3 323.525 2.340 20 0 DEADHO CCN(CC)[C@H](CNC(=O)C[NH2+]C(C)C)c1cccc(OC)c1 ZINC000662364401 425632278 /nfs/dbraw/zinc/63/22/78/425632278.db2.gz IDQBVHSRBHFLLX-QGZVFWFLSA-N 1 3 321.465 2.192 20 0 DEADHO CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C(C)C ZINC000665763787 425640784 /nfs/dbraw/zinc/64/07/84/425640784.db2.gz LPJQVAIFWGVGFR-HNNXBMFYSA-N 1 3 300.491 2.088 20 0 DEADHO CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C(C)C ZINC000665763787 425640787 /nfs/dbraw/zinc/64/07/87/425640787.db2.gz LPJQVAIFWGVGFR-HNNXBMFYSA-N 1 3 300.491 2.088 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662589293 425687638 /nfs/dbraw/zinc/68/76/38/425687638.db2.gz HSIXBAQFZGPEBL-SJORKVTESA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H](C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)N1CCCCCC1 ZINC000662590772 425688584 /nfs/dbraw/zinc/68/85/84/425688584.db2.gz NMPJKZROPDDGLG-FUHWJXTLSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cc3c(s2)CCNC3)C1 ZINC000662593113 425689521 /nfs/dbraw/zinc/68/95/21/425689521.db2.gz LLMDOZGFHGGMCY-GFCCVEGCSA-N 1 3 321.490 2.244 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cc3c(s2)CCNC3)C1 ZINC000662593113 425689524 /nfs/dbraw/zinc/68/95/24/425689524.db2.gz LLMDOZGFHGGMCY-GFCCVEGCSA-N 1 3 321.490 2.244 20 0 DEADHO N[C@@H]1CCC[C@H]([NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)C1 ZINC000656199048 425729806 /nfs/dbraw/zinc/72/98/06/425729806.db2.gz CXXPGKFEMSKNEN-OCCSQVGLSA-N 1 3 324.856 2.132 20 0 DEADHO CCC[NH+]1CCC(NC(=O)N[C@H](C)CN2CCC(C)CC2)CC1 ZINC000660250822 425777551 /nfs/dbraw/zinc/77/75/51/425777551.db2.gz DSHJDCWDDCXZQL-MRXNPFEDSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000660282306 425783126 /nfs/dbraw/zinc/78/31/26/425783126.db2.gz UIMIRKVIMMIWKP-CQSZACIVSA-N 1 3 324.513 2.468 20 0 DEADHO CC(C)(C)N1CC[C@H]1CNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000660361923 425801358 /nfs/dbraw/zinc/80/13/58/425801358.db2.gz CNLCYVTUEQAJTA-INIZCTEOSA-N 1 3 322.497 2.033 20 0 DEADHO CC(C)N1CCN(C2CC[NH+](C[C@@H]3CCC[C@@H](O)C3)CC2)CC1 ZINC000660151672 425752541 /nfs/dbraw/zinc/75/25/41/425752541.db2.gz VJXHKCVUICTLOB-IEBWSBKVSA-N 1 3 323.525 2.028 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662883444 425756753 /nfs/dbraw/zinc/75/67/53/425756753.db2.gz KBKDAKUWOGPJTN-VBQJREDUSA-N 1 3 317.433 2.159 20 0 DEADHO CC[C@@H](C(=O)Nc1ccc([C@H]2CNCCO2)cc1)[NH+](CC)CC ZINC000662884112 425757028 /nfs/dbraw/zinc/75/70/28/425757028.db2.gz LWWKHLNZWABHIW-DLBZAZTESA-N 1 3 319.449 2.406 20 0 DEADHO COC[C@@H](CN1CCN(c2ccnc3ccccc32)CC1)OC ZINC000660531436 425827753 /nfs/dbraw/zinc/82/77/53/425827753.db2.gz SELUEEZGVULLEO-OAHLLOKOSA-N 1 3 315.417 2.018 20 0 DEADHO COC[C@@H](C[NH+]1CCN(c2ccnc3ccccc32)CC1)OC ZINC000660531436 425827756 /nfs/dbraw/zinc/82/77/56/425827756.db2.gz SELUEEZGVULLEO-OAHLLOKOSA-N 1 3 315.417 2.018 20 0 DEADHO COC[C@@H](CN1CCN(c2cc[nH+]c3ccccc32)CC1)OC ZINC000660531436 425827757 /nfs/dbraw/zinc/82/77/57/425827757.db2.gz SELUEEZGVULLEO-OAHLLOKOSA-N 1 3 315.417 2.018 20 0 DEADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000370766906 269082688 /nfs/dbraw/zinc/08/26/88/269082688.db2.gz PULKIIPPNTYBOY-KZNAEPCWSA-N 1 3 315.461 2.237 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000423143458 269115469 /nfs/dbraw/zinc/11/54/69/269115469.db2.gz DDXGKZXANNLWGM-SJCJKPOMSA-N 1 3 317.408 2.242 20 0 DEADHO CS(=O)(=O)CC1CCC(N[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000423142901 269115594 /nfs/dbraw/zinc/11/55/94/269115594.db2.gz BOXFPKWIBSVTDF-CXMPNGEBSA-N 1 3 322.474 2.324 20 0 DEADHO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1CC[C@H]1CCCN1C ZINC000495689869 269168203 /nfs/dbraw/zinc/16/82/03/269168203.db2.gz VJQWNUUGRPRPCM-HZPDHXFCSA-N 1 3 311.470 2.460 20 0 DEADHO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1CC[C@H]1CCCN1C ZINC000495689869 269168204 /nfs/dbraw/zinc/16/82/04/269168204.db2.gz VJQWNUUGRPRPCM-HZPDHXFCSA-N 1 3 311.470 2.460 20 0 DEADHO NC(=O)OC[C@H](Cc1ccccc1)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000496327012 269212206 /nfs/dbraw/zinc/21/22/06/269212206.db2.gz NBLMRPGWCFLIGR-PMPSAXMXSA-N 1 3 305.422 2.214 20 0 DEADHO CN1CCC[C@@H]2C[N@H+](CCCNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000496352839 269213576 /nfs/dbraw/zinc/21/35/76/269213576.db2.gz VIYZYKGBRRUWGY-CABCVRRESA-N 1 3 311.470 2.317 20 0 DEADHO CN1CCC[C@@H]2C[N@@H+](CCCNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000496352839 269213577 /nfs/dbraw/zinc/21/35/77/269213577.db2.gz VIYZYKGBRRUWGY-CABCVRRESA-N 1 3 311.470 2.317 20 0 DEADHO COC(=O)N1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1 ZINC000496490898 269223823 /nfs/dbraw/zinc/22/38/23/269223823.db2.gz MFGVNDMIXYUGOX-IXDOHACOSA-N 1 3 323.481 2.365 20 0 DEADHO CN1CC=C(C[NH2+]C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000496562806 269230513 /nfs/dbraw/zinc/23/05/13/269230513.db2.gz DWMWOMIVQVXYQP-YJBOKZPZSA-N 1 3 321.465 2.095 20 0 DEADHO CC(C)(C[NH2+]C[C@@H](O)COc1ccccc1F)CN1CCCC1 ZINC000514932069 269337261 /nfs/dbraw/zinc/33/72/61/269337261.db2.gz BACOMSNDYYVBHB-OAHLLOKOSA-N 1 3 324.440 2.277 20 0 DEADHO CSc1ccc(OC[C@H](O)CN[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000516049959 269356395 /nfs/dbraw/zinc/35/63/95/269356395.db2.gz FQICWTISYLKYSA-SOUVJXGZSA-N 1 3 324.490 2.221 20 0 DEADHO CSc1ccc(OC[C@H](O)CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000516049959 269356397 /nfs/dbraw/zinc/35/63/97/269356397.db2.gz FQICWTISYLKYSA-SOUVJXGZSA-N 1 3 324.490 2.221 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(C)(C)C)CC2)CC1 ZINC000517171994 269378919 /nfs/dbraw/zinc/37/89/19/269378919.db2.gz SLKOOIOGKBIYNF-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO N[C@@H]1CCCCC[C@@H]1[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000517918756 269394810 /nfs/dbraw/zinc/39/48/10/269394810.db2.gz ORCVHWQQHKVETE-SJORKVTESA-N 1 3 309.498 2.271 20 0 DEADHO CC(C)[C@@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)N(C)C ZINC000369087956 275977971 /nfs/dbraw/zinc/97/79/71/275977971.db2.gz OQROSLHIIXZFLG-KRWDZBQOSA-N 1 3 309.498 2.343 20 0 DEADHO CC[NH+](CC)CCCNC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000291445988 276097276 /nfs/dbraw/zinc/09/72/76/276097276.db2.gz LEVNSCADOKYMHW-HOTGVXAUSA-N 1 3 318.417 2.139 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000268835739 276195000 /nfs/dbraw/zinc/19/50/00/276195000.db2.gz SGVKHJVYNTZHDO-GOSISDBHSA-N 1 3 305.441 2.430 20 0 DEADHO CCCC[C@H]([NH3+])C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000236786752 276243817 /nfs/dbraw/zinc/24/38/17/276243817.db2.gz WQNHPGNQKMFXPX-PBHICJAKSA-N 1 3 318.465 2.241 20 0 DEADHO CC[NH+](CC)Cc1cccc(CNC(=O)C2CCN(C)CC2)c1 ZINC000174029832 276335036 /nfs/dbraw/zinc/33/50/36/276335036.db2.gz DOFPGPLSSVDCOQ-UHFFFAOYSA-N 1 3 317.477 2.486 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000360079792 276373278 /nfs/dbraw/zinc/37/32/78/276373278.db2.gz UHUPLAMJALRVQU-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000360079792 276373279 /nfs/dbraw/zinc/37/32/79/276373279.db2.gz UHUPLAMJALRVQU-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C)[C@H](CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000262541307 276853699 /nfs/dbraw/zinc/85/36/99/276853699.db2.gz RDMBUNHNKXZZQH-IXDOHACOSA-N 1 3 303.450 2.313 20 0 DEADHO CC(=O)NCCc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000356674112 277034628 /nfs/dbraw/zinc/03/46/28/277034628.db2.gz APHGPVHKFHXYET-VCBZYWHSSA-N 1 3 317.477 2.499 20 0 DEADHO CC(=O)NCCc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000356674112 277034630 /nfs/dbraw/zinc/03/46/30/277034630.db2.gz APHGPVHKFHXYET-VCBZYWHSSA-N 1 3 317.477 2.499 20 0 DEADHO CNC(=O)[C@H]1CCC[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000358252212 277252320 /nfs/dbraw/zinc/25/23/20/277252320.db2.gz SILKPFJTVPNLIK-DLBZAZTESA-N 1 3 307.482 2.288 20 0 DEADHO CNC(=O)[C@H]1CCC[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000358252212 277252321 /nfs/dbraw/zinc/25/23/21/277252321.db2.gz SILKPFJTVPNLIK-DLBZAZTESA-N 1 3 307.482 2.288 20 0 DEADHO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282119329 277282154 /nfs/dbraw/zinc/28/21/54/277282154.db2.gz AQJDOPKABHIESY-FUHWJXTLSA-N 1 3 319.493 2.378 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1(C)CC[NH+](C)CC1)N1CCCCC1 ZINC000357467857 277720470 /nfs/dbraw/zinc/72/04/70/277720470.db2.gz MONDRRYAEKAOAV-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1CC[C@H](CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)O1 ZINC000423165696 277793074 /nfs/dbraw/zinc/79/30/74/277793074.db2.gz QCJAHOXZQPGIRV-DEICHXMPSA-N 1 3 302.418 2.399 20 0 DEADHO C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)C1 ZINC000422750160 278001987 /nfs/dbraw/zinc/00/19/87/278001987.db2.gz ADJRXXDDKVTXOY-CYGHRXIMSA-N 1 3 323.525 2.100 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@H](C2CC2)[C@H]2CNCCO2)C1 ZINC000422750160 278001989 /nfs/dbraw/zinc/00/19/89/278001989.db2.gz ADJRXXDDKVTXOY-CYGHRXIMSA-N 1 3 323.525 2.100 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@H](C2CC2)[C@H]2CNCCO2)C1 ZINC000422750160 278001991 /nfs/dbraw/zinc/00/19/91/278001991.db2.gz ADJRXXDDKVTXOY-CYGHRXIMSA-N 1 3 323.525 2.100 20 0 DEADHO C[C@@H]1C[C@H](C)N(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C[NH3+] ZINC000424080204 278005889 /nfs/dbraw/zinc/00/58/89/278005889.db2.gz VIRWFHPOOOMGBH-KEYYUXOJSA-N 1 3 303.450 2.194 20 0 DEADHO CC(C)n1cc([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cn1 ZINC000442874458 278128400 /nfs/dbraw/zinc/12/84/00/278128400.db2.gz MEXBFGMTXKXLMK-OAHLLOKOSA-N 1 3 307.486 2.141 20 0 DEADHO C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](N)c1ccccc1 ZINC000178815564 278135463 /nfs/dbraw/zinc/13/54/63/278135463.db2.gz QPFIHTHLOVIRLV-OTRWWLKZSA-N 1 3 303.450 2.264 20 0 DEADHO C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H](N)c1ccccc1 ZINC000178815564 278135464 /nfs/dbraw/zinc/13/54/64/278135464.db2.gz QPFIHTHLOVIRLV-OTRWWLKZSA-N 1 3 303.450 2.264 20 0 DEADHO C[C@H](CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)N(C)C ZINC000274953324 278197432 /nfs/dbraw/zinc/19/74/32/278197432.db2.gz QETDAJWIVZYSQP-MRXNPFEDSA-N 1 3 317.477 2.355 20 0 DEADHO C[C@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)N(C)Cc1ccccc1 ZINC000261923868 278197728 /nfs/dbraw/zinc/19/77/28/278197728.db2.gz XZXQLGSFIYUNNF-HZPDHXFCSA-N 1 3 303.450 2.013 20 0 DEADHO CC1CCC(N2CCN(C(=O)C[C@@H]3CCC[C@H]3[NH3+])CC2)CC1 ZINC000261690990 278521870 /nfs/dbraw/zinc/52/18/70/278521870.db2.gz HQWPBXYMRQCZPO-ODZFXCKXSA-N 1 3 307.482 2.227 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000361275567 278578743 /nfs/dbraw/zinc/57/87/43/278578743.db2.gz XPDMJSIKFYHGRM-HUUCEWRRSA-N 1 3 307.482 2.382 20 0 DEADHO Cc1nc(COc2ccc(CN[C@H]3CCC[C@H]3C[NH3+])cc2)no1 ZINC000414794120 279085140 /nfs/dbraw/zinc/08/51/40/279085140.db2.gz LKJKCAVAHCHBOD-HOCLYGCPSA-N 1 3 316.405 2.174 20 0 DEADHO CC[N@H+](CCC1CCN([C@@H]2CCN(C)C2=O)CC1)CC1CC1 ZINC000357081832 279176921 /nfs/dbraw/zinc/17/69/21/279176921.db2.gz IMKABRGENNNBPR-QGZVFWFLSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@@H+](CCC1CCN([C@@H]2CCN(C)C2=O)CC1)CC1CC1 ZINC000357081832 279176922 /nfs/dbraw/zinc/17/69/22/279176922.db2.gz IMKABRGENNNBPR-QGZVFWFLSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H](C(=O)NC1CCCCC1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420340615 279221488 /nfs/dbraw/zinc/22/14/88/279221488.db2.gz MWQFUYOQGJEQIN-OAGGEKHMSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@H](C[NH2+]C1CCN(c2nccs2)CC1)CN1CCCC1 ZINC000376268876 279346483 /nfs/dbraw/zinc/34/64/83/279346483.db2.gz WXTYUHRKYSOQFF-CQSZACIVSA-N 1 3 308.495 2.433 20 0 DEADHO CC[NH2+]CC1CCN([C@H](C)C(=O)N2CCCC[C@@H]2CC)CC1 ZINC000430558903 279498445 /nfs/dbraw/zinc/49/84/45/279498445.db2.gz ZGBBNIKWGFIMPT-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1ccc2c(c1)OCC(=O)N2 ZINC000423273170 279533786 /nfs/dbraw/zinc/53/37/86/279533786.db2.gz IQJUQXUFGKHUKN-YUTCNCBUSA-N 1 3 303.406 2.186 20 0 DEADHO O=C(CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)N1CCCCC1 ZINC000262326258 279751923 /nfs/dbraw/zinc/75/19/23/279751923.db2.gz RVZJYNHBVDUYRW-GVDBMIGSSA-N 1 3 307.482 2.289 20 0 DEADHO C[C@H]1C[C@H]([NH2+]C2CCN(c3ccncc3)CC2)CN1C1CC1 ZINC000297806082 280009251 /nfs/dbraw/zinc/00/92/51/280009251.db2.gz XUXBIQPWCHRNRH-HOCLYGCPSA-N 1 3 300.450 2.265 20 0 DEADHO CC[C@@H](CNC(=O)/C=C/C[NH+](C)C)N1CCc2ccccc2C1 ZINC000491642051 280141400 /nfs/dbraw/zinc/14/14/00/280141400.db2.gz MBIOHDZQMGQUKS-HKMNZKMDSA-N 1 3 315.461 2.057 20 0 DEADHO CC(C)[C@H](CNC(=O)NCCN(C)C1CC1)[NH+]1CCC(C)CC1 ZINC000352665800 280246252 /nfs/dbraw/zinc/24/62/52/280246252.db2.gz SMCNVCYMFXDEKC-KRWDZBQOSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1CCCCCC1 ZINC000360137673 289277762 /nfs/dbraw/zinc/27/77/62/289277762.db2.gz WAHYRMYKAZOEFB-SJORKVTESA-N 1 3 307.482 2.338 20 0 DEADHO CN(C)[C@@H](CNC(=O)N[C@@H](C[NH3+])C1CCCC1)c1ccccc1 ZINC000416814595 289283491 /nfs/dbraw/zinc/28/34/91/289283491.db2.gz VPNMZPOJISQLPT-IRXDYDNUSA-N 1 3 318.465 2.106 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CCCOCC(F)(F)F ZINC000371291837 289331832 /nfs/dbraw/zinc/33/18/32/289331832.db2.gz AASSBNQEAGHBNP-HZSPNIEDSA-N 1 3 324.387 2.139 20 0 DEADHO CN(C)[C@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000427314809 289352946 /nfs/dbraw/zinc/35/29/46/289352946.db2.gz MWXTVNRXVTVAPN-MSOLQXFVSA-N 1 3 317.477 2.055 20 0 DEADHO C[C@H](CC(=O)N1CC[C@@H](N2CCCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000262332584 289419244 /nfs/dbraw/zinc/41/92/44/289419244.db2.gz SQBPYPCVVWNBIN-BRWVUGGUSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1ccc2c(c1)OCC(=O)N2 ZINC000423273169 290044030 /nfs/dbraw/zinc/04/40/30/290044030.db2.gz IQJUQXUFGKHUKN-UBHSHLNASA-N 1 3 303.406 2.186 20 0 DEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCc1nnc2n1CCCCC2 ZINC000422927286 295267244 /nfs/dbraw/zinc/26/72/44/295267244.db2.gz YQBOUPLXDOGGIS-CABCVRRESA-N 1 3 305.470 2.044 20 0 DEADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000261670533 295314692 /nfs/dbraw/zinc/31/46/92/295314692.db2.gz FZXWAVHTXFZVFZ-DLBZAZTESA-N 1 3 307.482 2.228 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000342700550 297543933 /nfs/dbraw/zinc/54/39/33/297543933.db2.gz IECOJRCYFLPWCL-CGTJXYLNSA-N 1 3 315.461 2.328 20 0 DEADHO C[C@H](CNC(=O)NCCC1CC[NH+](C)CC1)N1CCC(C)CC1 ZINC000103311258 298725272 /nfs/dbraw/zinc/72/52/72/298725272.db2.gz PICFHKPEPWHDGC-MRXNPFEDSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000344042677 300065460 /nfs/dbraw/zinc/06/54/60/300065460.db2.gz BMFHNTZGIYNOCB-CVYDXHPNSA-N 1 3 309.498 2.486 20 0 DEADHO O=C1[C@H](N2CCC3(CC[NH2+]C3)CC2)CCCN1c1ccccc1 ZINC000431033576 304711310 /nfs/dbraw/zinc/71/13/10/304711310.db2.gz IZMXGQAAWCKEMZ-QGZVFWFLSA-N 1 3 313.445 2.258 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC000414673806 303366400 /nfs/dbraw/zinc/36/64/00/303366400.db2.gz CWJCHHNXSPKWRI-RHSMWYFYSA-N 1 3 319.424 2.160 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC000414673806 303366403 /nfs/dbraw/zinc/36/64/03/303366403.db2.gz CWJCHHNXSPKWRI-RHSMWYFYSA-N 1 3 319.424 2.160 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@H+](CC2CCCC2)[C@@H](C)C1 ZINC001424557558 1173831029 /nfs/dbraw/zinc/83/10/29/1173831029.db2.gz HFLFJZPFEJGCMZ-RDJZCZTQSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)[C@@H](C)C1 ZINC001424557558 1173831031 /nfs/dbraw/zinc/83/10/31/1173831031.db2.gz HFLFJZPFEJGCMZ-RDJZCZTQSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)N(CCCc1ccccc1)CCN(C)C ZINC000572480448 325938986 /nfs/dbraw/zinc/93/89/86/325938986.db2.gz MPNOXVBGOJKTGP-AEFFLSMTSA-N 1 3 317.477 2.007 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCOCC(F)(F)F ZINC000573315691 326044028 /nfs/dbraw/zinc/04/40/28/326044028.db2.gz RWULYUVUKPTIKO-JTQLQIEISA-N 1 3 305.344 2.468 20 0 DEADHO [NH3+]CCCCC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000574273330 326139570 /nfs/dbraw/zinc/13/95/70/326139570.db2.gz DMZUBHGPKBBLCQ-UHFFFAOYSA-N 1 3 321.490 2.345 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H](N)Cc2ccccc2)C1 ZINC000574449830 326155561 /nfs/dbraw/zinc/15/55/61/326155561.db2.gz CIQBAQRDHJAELB-MSOLQXFVSA-N 1 3 317.477 2.137 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@@H](N)Cc2ccccc2)C1 ZINC000574449830 326155564 /nfs/dbraw/zinc/15/55/64/326155564.db2.gz CIQBAQRDHJAELB-MSOLQXFVSA-N 1 3 317.477 2.137 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000574915566 326200692 /nfs/dbraw/zinc/20/06/92/326200692.db2.gz ITOBSSRAYDBCGV-QZTJIDSGSA-N 1 3 315.461 2.210 20 0 DEADHO OC[C@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCC1 ZINC000576218792 326277370 /nfs/dbraw/zinc/27/73/70/326277370.db2.gz UUQZNQSLFOXXCJ-JENIJYKNSA-N 1 3 316.445 2.383 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C[C@@H]2CCCC[C@H]2O)CC1 ZINC000576455847 326294866 /nfs/dbraw/zinc/29/48/66/326294866.db2.gz KOWVSRXDRHRNHK-ZSYWTGECSA-N 1 3 323.525 2.028 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C[C@@H]2CCCC[C@H]2O)CC1 ZINC000576455847 326294868 /nfs/dbraw/zinc/29/48/68/326294868.db2.gz KOWVSRXDRHRNHK-ZSYWTGECSA-N 1 3 323.525 2.028 20 0 DEADHO Cc1cc(CN)cc(NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)c1 ZINC000583687887 336951151 /nfs/dbraw/zinc/95/11/51/336951151.db2.gz KOVYVQZURQRFRG-IBGZPJMESA-N 1 3 309.413 2.324 20 0 DEADHO N[C@H](CC(=O)NCC[NH2+]C1CCCCCC1)Cc1ccccc1 ZINC000582775270 337146142 /nfs/dbraw/zinc/14/61/42/337146142.db2.gz WREZULFQGOWHRT-KRWDZBQOSA-N 1 3 317.477 2.375 20 0 DEADHO COc1cccc2c1CCC[C@H]2[NH2+]C[C@H](O)CN1CCCC1 ZINC000583003542 337227586 /nfs/dbraw/zinc/22/75/86/337227586.db2.gz NOMVQFWTYCTGPA-WMLDXEAASA-N 1 3 304.434 2.119 20 0 DEADHO C[C@H](CC(=O)Nc1cccc2c1CCNC2)[C@@H]1CCC[NH2+]C1 ZINC000583252342 337289968 /nfs/dbraw/zinc/28/99/68/337289968.db2.gz CGWUTKNHIVSENE-ZIAGYGMSSA-N 1 3 301.434 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001376367015 1159364570 /nfs/dbraw/zinc/36/45/70/1159364570.db2.gz WWDVYFQUIMIXHW-RDJZCZTQSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@H](F)C[NH2+]C1CCC(NC(=O)C2(N(C)C)CCC2)CC1 ZINC001376665415 1159654906 /nfs/dbraw/zinc/65/49/06/1159654906.db2.gz SXELLNPCTLOVFO-NFOMZHRRSA-N 1 3 313.461 2.236 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]CC[C@H]1CCCC1(F)F ZINC001376885707 1159832828 /nfs/dbraw/zinc/83/28/28/1159832828.db2.gz WJTXNJFAUMLTDO-UONOGXRCSA-N 1 3 319.440 2.246 20 0 DEADHO C[NH+](C)CCCC(=O)NC1(CNCc2ccns2)CCCC1 ZINC001378373277 1152308630 /nfs/dbraw/zinc/30/86/30/1152308630.db2.gz MJRNGXHIOJDSAP-UHFFFAOYSA-N 1 3 324.494 2.004 20 0 DEADHO C[C@H](F)CC[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001378454720 1152336146 /nfs/dbraw/zinc/33/61/46/1152336146.db2.gz XYAGVZVDVQJTPD-VGWMRTNUSA-N 1 3 313.461 2.093 20 0 DEADHO CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001398601760 1161010461 /nfs/dbraw/zinc/01/04/61/1161010461.db2.gz ZKYWVIGDZMXTRA-HZPDHXFCSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001398601760 1161010466 /nfs/dbraw/zinc/01/04/66/1161010466.db2.gz ZKYWVIGDZMXTRA-HZPDHXFCSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C1C[NH+](CCc2cccs2)C1 ZINC001378590857 1152386642 /nfs/dbraw/zinc/38/66/42/1152386642.db2.gz VLNWUUXBICRZTR-AWEZNQCLSA-N 1 3 323.506 2.067 20 0 DEADHO Cc1ccc(F)c(C[NH2+]C[C@@H](C)CNC(=O)CN(C)C(C)C)c1 ZINC001378630150 1152399965 /nfs/dbraw/zinc/39/99/65/1152399965.db2.gz BSODEYUHFVIGLW-OAHLLOKOSA-N 1 3 323.456 2.316 20 0 DEADHO C[C@@H](C[NH2+]CC1CC2(CCC2)C1)N(C)C(=O)[C@@H]1CCCN1C ZINC001378747567 1152434140 /nfs/dbraw/zinc/43/41/40/1152434140.db2.gz AVSUKUNEUCHUHX-HOCLYGCPSA-N 1 3 307.482 2.097 20 0 DEADHO CSC[C@@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000429287897 533734697 /nfs/dbraw/zinc/73/46/97/533734697.db2.gz WBVPPRGBSIVYGE-QGZVFWFLSA-N 1 3 313.555 2.478 20 0 DEADHO CSC[C@@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000429287897 533734703 /nfs/dbraw/zinc/73/47/03/533734703.db2.gz WBVPPRGBSIVYGE-QGZVFWFLSA-N 1 3 313.555 2.478 20 0 DEADHO C[C@@H](C[NH3+])N(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000417835790 533786284 /nfs/dbraw/zinc/78/62/84/533786284.db2.gz LHZIHEDEAZZGPI-VYDXJSESSA-N 1 3 318.465 2.028 20 0 DEADHO CSC[C@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000429287896 533807109 /nfs/dbraw/zinc/80/71/09/533807109.db2.gz WBVPPRGBSIVYGE-KRWDZBQOSA-N 1 3 313.555 2.478 20 0 DEADHO CSC[C@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000429287896 533807118 /nfs/dbraw/zinc/80/71/18/533807118.db2.gz WBVPPRGBSIVYGE-KRWDZBQOSA-N 1 3 313.555 2.478 20 0 DEADHO C[C@H](NCC1(N2CCSCC2)CCCC1)[C@H]1CCCC[NH2+]1 ZINC000422847345 533835228 /nfs/dbraw/zinc/83/52/28/533835228.db2.gz RGIKBPWPNYTEMN-JKSUJKDBSA-N 1 3 311.539 2.468 20 0 DEADHO C[C@H](NCCc1ccc(F)c(Br)c1)C1C[NH2+]C1 ZINC000422944590 533870625 /nfs/dbraw/zinc/87/06/25/533870625.db2.gz ZYHABOQOMBUCCP-VIFPVBQESA-N 1 3 301.203 2.328 20 0 DEADHO C[C@H]([NH2+]CCc1ccc(F)c(Br)c1)C1CNC1 ZINC000422944590 533870630 /nfs/dbraw/zinc/87/06/30/533870630.db2.gz ZYHABOQOMBUCCP-VIFPVBQESA-N 1 3 301.203 2.328 20 0 DEADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418472366 533900653 /nfs/dbraw/zinc/90/06/53/533900653.db2.gz WMVFYHKWMHVUJY-DOTOQJQBSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H](CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)N(C)C1CC1 ZINC000417549794 534114420 /nfs/dbraw/zinc/11/44/20/534114420.db2.gz KALWBGMHYJETLS-RHSMWYFYSA-N 1 3 318.465 2.249 20 0 DEADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCc1cn2c(n1)SCC2 ZINC000423068534 534201018 /nfs/dbraw/zinc/20/10/18/534201018.db2.gz KGUZTVXVTJOSHP-KBPBESRZSA-N 1 3 308.495 2.432 20 0 DEADHO COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N ZINC000423027999 534204212 /nfs/dbraw/zinc/20/42/12/534204212.db2.gz SFEUGSJUSRPDGL-FXUDXRNXSA-N 1 3 322.449 2.052 20 0 DEADHO C[C@@H]([NH3+])C1CCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000430928129 534289239 /nfs/dbraw/zinc/28/92/39/534289239.db2.gz SNXGDNSMHHVVGQ-DYVFJYSZSA-N 1 3 301.434 2.066 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000339461806 519854129 /nfs/dbraw/zinc/85/41/29/519854129.db2.gz MDIIVUYDWBCEPK-IRXDYDNUSA-N 1 3 307.482 2.051 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)CCN1CCCC1 ZINC000112749890 520586113 /nfs/dbraw/zinc/58/61/13/520586113.db2.gz YERQAQQQFALBSS-KRWDZBQOSA-N 1 3 324.513 2.378 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(C)CCN1CCCC1 ZINC000112749890 520586120 /nfs/dbraw/zinc/58/61/20/520586120.db2.gz YERQAQQQFALBSS-KRWDZBQOSA-N 1 3 324.513 2.378 20 0 DEADHO CC[NH+](CC)CCCN1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000365194105 520605531 /nfs/dbraw/zinc/60/55/31/520605531.db2.gz XFVMCGCBMQYCTE-UHFFFAOYSA-N 1 3 324.557 2.209 20 0 DEADHO CC[NH+](CC)CCCN1CCC(CCN2CCOCC2)CC1 ZINC000365193211 520605900 /nfs/dbraw/zinc/60/59/00/520605900.db2.gz ZFQPTSUIURKFGM-UHFFFAOYSA-N 1 3 311.514 2.153 20 0 DEADHO CCC[C@H](N)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000246531152 521118026 /nfs/dbraw/zinc/11/80/26/521118026.db2.gz RTWXAFHWLNNHEB-CIRFHOKZSA-N 1 3 317.477 2.387 20 0 DEADHO CCC[C@H](N)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000246531152 521118035 /nfs/dbraw/zinc/11/80/35/521118035.db2.gz RTWXAFHWLNNHEB-CIRFHOKZSA-N 1 3 317.477 2.387 20 0 DEADHO COC(=O)c1cc(CNCCCCC[NH+]2CCCC2)cn1C ZINC000339501396 521857755 /nfs/dbraw/zinc/85/77/55/521857755.db2.gz WTBIHKZHMGDAOU-UHFFFAOYSA-N 1 3 307.438 2.167 20 0 DEADHO [NH3+]CC[C@H]1CCCN([C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000443061933 534653118 /nfs/dbraw/zinc/65/31/18/534653118.db2.gz SNMKJIWHWVLKCR-PBHICJAKSA-N 1 3 301.434 2.067 20 0 DEADHO [NH3+]CC[C@H]1CCCN(CC(=O)N[C@@H](c2ccccc2)C2CC2)C1 ZINC000443057138 534654403 /nfs/dbraw/zinc/65/44/03/534654403.db2.gz FQUVMTSDYJZXBT-BEFAXECRSA-N 1 3 315.461 2.315 20 0 DEADHO CN(CCCO)C1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000337186327 522778521 /nfs/dbraw/zinc/77/85/21/522778521.db2.gz OXFNYMGBLRSWQA-UHFFFAOYSA-N 1 3 312.498 2.362 20 0 DEADHO CCc1cc(OC)ccc1C[NH2+]C[C@H](O)CN1CCCCC1 ZINC000337335238 523839087 /nfs/dbraw/zinc/83/90/87/523839087.db2.gz LHVXNVNRSJYXQK-KRWDZBQOSA-N 1 3 306.450 2.194 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)CCN1CCCC1 ZINC000112743461 524100945 /nfs/dbraw/zinc/10/09/45/524100945.db2.gz MPTZKMHWKMZXMR-QGZVFWFLSA-N 1 3 324.513 2.378 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(C)CCN1CCCC1 ZINC000112743461 524100954 /nfs/dbraw/zinc/10/09/54/524100954.db2.gz MPTZKMHWKMZXMR-QGZVFWFLSA-N 1 3 324.513 2.378 20 0 DEADHO C[C@H](CN1CCN(C)CC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000154895255 524345466 /nfs/dbraw/zinc/34/54/66/524345466.db2.gz MPRGDXCSBDYYLJ-QGZVFWFLSA-N 1 3 322.541 2.009 20 0 DEADHO C[C@H](CNC(=O)NCCN1CCC[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000338278358 524413184 /nfs/dbraw/zinc/41/31/84/524413184.db2.gz HUFKQSYZIQDYKC-IAGOWNOFSA-N 1 3 324.513 2.138 20 0 DEADHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1csc(C)c1)N(C)C ZINC001425593796 1174389517 /nfs/dbraw/zinc/38/95/17/1174389517.db2.gz KATPLABOZZSDPP-IUODEOHRSA-N 1 3 311.495 2.333 20 0 DEADHO CC(C)c1nccc(N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC000377663810 534905781 /nfs/dbraw/zinc/90/57/81/534905781.db2.gz AYAFBZCQJSNDCN-MRXNPFEDSA-N 1 3 317.481 2.205 20 0 DEADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2(N)CCCC2)C1 ZINC000246244311 526251065 /nfs/dbraw/zinc/25/10/65/526251065.db2.gz JDUPOUJHRXNZGF-JKSUJKDBSA-N 1 3 307.482 2.371 20 0 DEADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C2(N)CCCC2)C1 ZINC000246244311 526251066 /nfs/dbraw/zinc/25/10/66/526251066.db2.gz JDUPOUJHRXNZGF-JKSUJKDBSA-N 1 3 307.482 2.371 20 0 DEADHO O=C(N[C@H]1CCC[NH2+]CC1)C1CCN(Cc2ccccc2)CC1 ZINC000364162673 527028804 /nfs/dbraw/zinc/02/88/04/527028804.db2.gz UKFLDWUUDBGJLK-SFHVURJKSA-N 1 3 315.461 2.157 20 0 DEADHO CC(C)C(=O)Nc1ccc(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000422795880 527538638 /nfs/dbraw/zinc/53/86/38/527538638.db2.gz IGFIIXMXDHRNHH-KBRIMQKVSA-N 1 3 319.449 2.123 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418586614 527664834 /nfs/dbraw/zinc/66/48/34/527664834.db2.gz QJJHFQYIQLRQPQ-CABCVRRESA-N 1 3 310.486 2.020 20 0 DEADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2C[C@@H](C)NC[C@H]2C)c1 ZINC000417401510 527843533 /nfs/dbraw/zinc/84/35/33/527843533.db2.gz LMWILCWOTVXBEJ-HUUCEWRRSA-N 1 3 318.465 2.030 20 0 DEADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2C[C@@H](C)NC[C@H]2C)c1 ZINC000417401510 527843539 /nfs/dbraw/zinc/84/35/39/527843539.db2.gz LMWILCWOTVXBEJ-HUUCEWRRSA-N 1 3 318.465 2.030 20 0 DEADHO CCCC(=O)Nc1ccc(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000422881393 527961153 /nfs/dbraw/zinc/96/11/53/527961153.db2.gz NMKZDMYGVNKVPB-IAOVAPTHSA-N 1 3 319.449 2.267 20 0 DEADHO CCOC(=O)[C@H](C)[C@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297613813 527973801 /nfs/dbraw/zinc/97/38/01/527973801.db2.gz KTDDNSUBZQUSBH-KGLIPLIRSA-N 1 3 305.422 2.228 20 0 DEADHO CCCC[N@H+](C)CCNC(=O)NC[C@@H](N)c1ccccc1CC ZINC000417605866 528342317 /nfs/dbraw/zinc/34/23/17/528342317.db2.gz CNTXJWRUSBVXGX-QGZVFWFLSA-N 1 3 320.481 2.280 20 0 DEADHO CCCC[N@@H+](C)CCNC(=O)NC[C@@H](N)c1ccccc1CC ZINC000417605866 528342321 /nfs/dbraw/zinc/34/23/21/528342321.db2.gz CNTXJWRUSBVXGX-QGZVFWFLSA-N 1 3 320.481 2.280 20 0 DEADHO CC[NH2+][C@H](C)CNC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418497918 528415803 /nfs/dbraw/zinc/41/58/03/528415803.db2.gz JDWGKECIYPJDAD-CXAGYDPISA-N 1 3 314.433 2.137 20 0 DEADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NCCCC[NH3+] ZINC000418043379 528439199 /nfs/dbraw/zinc/43/91/99/528439199.db2.gz YWBXMJIEBVKIIX-QGZVFWFLSA-N 1 3 320.481 2.181 20 0 DEADHO CCN(CCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)N)c1ccccc1 ZINC000422783002 528459538 /nfs/dbraw/zinc/45/95/38/528459538.db2.gz KJXGKJYUXOUQOV-KBAYOESNSA-N 1 3 305.466 2.245 20 0 DEADHO CCN(CCCN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])c1ccccc1 ZINC000422783002 528459544 /nfs/dbraw/zinc/45/95/44/528459544.db2.gz KJXGKJYUXOUQOV-KBAYOESNSA-N 1 3 305.466 2.245 20 0 DEADHO CCC[NH2+]CCNC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000418489272 528484430 /nfs/dbraw/zinc/48/44/30/528484430.db2.gz NAPZDURLEKVURY-UHFFFAOYSA-N 1 3 320.481 2.068 20 0 DEADHO CCN(CCN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])c1cccc(C)c1 ZINC000422768962 528514734 /nfs/dbraw/zinc/51/47/34/528514734.db2.gz OHLULBIFIBDUNN-KBAYOESNSA-N 1 3 305.466 2.163 20 0 DEADHO CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000294969118 528540052 /nfs/dbraw/zinc/54/00/52/528540052.db2.gz GIKNHROWYCBJFB-RDJZCZTQSA-N 1 3 303.450 2.155 20 0 DEADHO CCCOc1ccc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1OC ZINC000422824580 528689474 /nfs/dbraw/zinc/68/94/74/528689474.db2.gz HKCYRSFZVLZYOB-CWRNSKLLSA-N 1 3 322.449 2.326 20 0 DEADHO CC(CN(C)[C@@H](CO)C(C)(C)C)C[N@H+](C)[C@@H](CO)C(C)(C)C ZINC000441055809 528706736 /nfs/dbraw/zinc/70/67/36/528706736.db2.gz BEENKFRQLPIZFZ-HOTGVXAUSA-N 1 3 316.530 2.300 20 0 DEADHO CC(CN(C)[C@@H](CO)C(C)(C)C)C[N@@H+](C)[C@@H](CO)C(C)(C)C ZINC000441055809 528706740 /nfs/dbraw/zinc/70/67/40/528706740.db2.gz BEENKFRQLPIZFZ-HOTGVXAUSA-N 1 3 316.530 2.300 20 0 DEADHO CCN(Cc1ccc(C(=O)NC[C@@H]2CCC[NH2+]C2)cc1)C1CC1 ZINC000428618776 528776266 /nfs/dbraw/zinc/77/62/66/528776266.db2.gz FUCSERRSIOXPQY-MRXNPFEDSA-N 1 3 315.461 2.400 20 0 DEADHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000417309519 528808803 /nfs/dbraw/zinc/80/88/03/528808803.db2.gz ISVKRBPPMOZXST-IRXDYDNUSA-N 1 3 320.481 2.414 20 0 DEADHO CCOCCOCc1cccc(CN[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422862122 528811944 /nfs/dbraw/zinc/81/19/44/528811944.db2.gz NLAVUSVINJQNAB-QZTJIDSGSA-N 1 3 306.450 2.457 20 0 DEADHO CCC([NH3+])(CC)CNC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000418441478 528929249 /nfs/dbraw/zinc/92/92/49/528929249.db2.gz RQLSNJPADQKRBY-CQSZACIVSA-N 1 3 310.486 2.020 20 0 DEADHO CC(C)N1CC[C@@H](N(C)C(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000418386873 529059553 /nfs/dbraw/zinc/05/95/53/529059553.db2.gz QRSXUUGSDMDUOJ-HZPDHXFCSA-N 1 3 310.486 2.018 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000417708413 529200698 /nfs/dbraw/zinc/20/06/98/529200698.db2.gz VUEUQOAQXIVJQG-CVEARBPZSA-N 1 3 310.486 2.021 20 0 DEADHO CCCN(C(=O)[C@@H](C)C[NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000262417684 535229865 /nfs/dbraw/zinc/22/98/65/535229865.db2.gz RIRHYRRUAPJAKT-WMZOPIPTSA-N 1 3 317.477 2.484 20 0 DEADHO CC(C)c1ncc(CN(C)CCC[NH+]2CCN(C)CC2)s1 ZINC000349337054 535383187 /nfs/dbraw/zinc/38/31/87/535383187.db2.gz YXWJCSIXXKWOPH-UHFFFAOYSA-N 1 3 310.511 2.336 20 0 DEADHO CC[NH+]1CCC(NC(=O)[C@@H]2CCCCN2C2CCCC2)CC1 ZINC000449209402 535472930 /nfs/dbraw/zinc/47/29/30/535472930.db2.gz QMVNHNRVEYCIQZ-KRWDZBQOSA-N 1 3 307.482 2.384 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(C/C=C/c1ccncc1)CCN(C)C ZINC000349063135 535592577 /nfs/dbraw/zinc/59/25/77/535592577.db2.gz PIWJQBDFNIFHNO-XZXOBPBMSA-N 1 3 316.493 2.443 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(C/C=C/c1ccncc1)CCN(C)C ZINC000349063135 535592581 /nfs/dbraw/zinc/59/25/81/535592581.db2.gz PIWJQBDFNIFHNO-XZXOBPBMSA-N 1 3 316.493 2.443 20 0 DEADHO CC[N@H+](Cc1ccc(C(=O)NCCN2CCCC2)cc1)C1CC1 ZINC000358712932 535782883 /nfs/dbraw/zinc/78/28/83/535782883.db2.gz RWDHJLKQZARZTL-UHFFFAOYSA-N 1 3 315.461 2.497 20 0 DEADHO CC[N@@H+](Cc1ccc(C(=O)NCCN2CCCC2)cc1)C1CC1 ZINC000358712932 535782884 /nfs/dbraw/zinc/78/28/84/535782884.db2.gz RWDHJLKQZARZTL-UHFFFAOYSA-N 1 3 315.461 2.497 20 0 DEADHO CN(C)CCOc1cccc(NC(=O)CC[C@@H]2CCC[NH2+]2)c1 ZINC000262544593 535909911 /nfs/dbraw/zinc/90/99/11/535909911.db2.gz ROMMVLKYUCJQPP-AWEZNQCLSA-N 1 3 305.422 2.098 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C)N(C)C ZINC000357867851 536093621 /nfs/dbraw/zinc/09/36/21/536093621.db2.gz KXTUHTSRTRMZCV-DJIMGWMZSA-N 1 3 305.466 2.443 20 0 DEADHO CN1CCC[C@H](CNC(=O)C[C@@H]2CCC[NH2+]2)[C@H]1c1cccs1 ZINC000246519191 536385559 /nfs/dbraw/zinc/38/55/59/536385559.db2.gz RDQYAPXHSPAAHD-KEYYUXOJSA-N 1 3 321.490 2.389 20 0 DEADHO COCC(COC)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000453372181 536797937 /nfs/dbraw/zinc/79/79/37/536797937.db2.gz YXRQLNZYQVCCSE-LUPIEILUSA-N 1 3 318.461 2.433 20 0 DEADHO CN(CCCF)CCN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001379078449 1152559787 /nfs/dbraw/zinc/55/97/87/1152559787.db2.gz UNDQLUIIPUUYII-UHFFFAOYSA-N 1 3 315.477 2.248 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001379322210 1152608602 /nfs/dbraw/zinc/60/86/02/1152608602.db2.gz KMHLNJVIRNTKOS-CQSZACIVSA-N 1 3 309.429 2.102 20 0 DEADHO Cc1cccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CN(C)C(C)C)C2)c1 ZINC001379593762 1152648464 /nfs/dbraw/zinc/64/84/64/1152648464.db2.gz YDEPHRLJOQJGKF-FUHWJXTLSA-N 1 3 317.477 2.414 20 0 DEADHO CN(CC(=O)N1CC[C@@](C)(C[NH2+]CC2CC2)C1)CC(C)(C)C ZINC001380421155 1152809709 /nfs/dbraw/zinc/80/97/09/1152809709.db2.gz IQPNYZGJXLEYPE-SFHVURJKSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC001369436575 1148986269 /nfs/dbraw/zinc/98/62/69/1148986269.db2.gz LTKBQWXWKSESSX-DZGCQCFKSA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]21 ZINC001026360621 625353682 /nfs/dbraw/zinc/35/36/82/625353682.db2.gz LTYGVBJULRGWOA-GVDBMIGSSA-N 1 3 321.509 2.201 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN(Cc3ccsc3)C2)C1 ZINC001023749909 625421037 /nfs/dbraw/zinc/42/10/37/625421037.db2.gz CPAUHPHBHZSPOT-GDBMZVCRSA-N 1 3 321.490 2.028 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN(Cc3ccsc3)C2)C1 ZINC001023749909 625421041 /nfs/dbraw/zinc/42/10/41/625421041.db2.gz CPAUHPHBHZSPOT-GDBMZVCRSA-N 1 3 321.490 2.028 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC1CCC([NH2+]CCF)CC1 ZINC001026571842 625531273 /nfs/dbraw/zinc/53/12/73/625531273.db2.gz OYLAXTRXUNRRHP-GPANFISMSA-N 1 3 313.461 2.236 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CC2CCCC2)C1)C1CC1 ZINC001024018769 625545990 /nfs/dbraw/zinc/54/59/90/625545990.db2.gz SKHHGPAHOKMXFR-FUHWJXTLSA-N 1 3 321.509 2.345 20 0 DEADHO CC1(C)C[C@@H](N[C@@H]2CCCN(C(=O)N3CCCC3)C2)C[C@@H]([NH3+])C1 ZINC000925669344 625584698 /nfs/dbraw/zinc/58/46/98/625584698.db2.gz ATFOGYRIBGKRTA-OAGGEKHMSA-N 1 3 322.497 2.162 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001020590408 622928785 /nfs/dbraw/zinc/92/87/85/622928785.db2.gz VMJVILPEAMPNPO-XIRDDKMYSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC000969845899 622948410 /nfs/dbraw/zinc/94/84/10/622948410.db2.gz KRTPNLLZIKGTIW-IAGOWNOFSA-N 1 3 321.440 2.102 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C1)N(C)C ZINC000969985415 623038244 /nfs/dbraw/zinc/03/82/44/623038244.db2.gz HFJKBKJFLSDXOJ-XYPHTWIQSA-N 1 3 321.440 2.417 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C1)N(C)C ZINC000969986265 623039162 /nfs/dbraw/zinc/03/91/62/623039162.db2.gz UNFSYPHMJRNYKD-MSOLQXFVSA-N 1 3 317.477 2.334 20 0 DEADHO CN1CCC[C@H]1C(=O)N[C@H]1CN(Cc2ccsc2)CC1(C)C ZINC000972859393 625635283 /nfs/dbraw/zinc/63/52/83/625635283.db2.gz IBNAGRORAASUFW-GJZGRUSLSA-N 1 3 321.490 2.169 20 0 DEADHO C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(Cc2ccsc2)CC1(C)C ZINC000972859393 625635285 /nfs/dbraw/zinc/63/52/85/625635285.db2.gz IBNAGRORAASUFW-GJZGRUSLSA-N 1 3 321.490 2.169 20 0 DEADHO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(Cc2ccsc2)CC1(C)C ZINC000972859393 625635286 /nfs/dbraw/zinc/63/52/86/625635286.db2.gz IBNAGRORAASUFW-GJZGRUSLSA-N 1 3 321.490 2.169 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]([NH2+]CC3CC3)C2)c1 ZINC001021089445 623335648 /nfs/dbraw/zinc/33/56/48/623335648.db2.gz CJFCDZCDTRCJHI-QAQDUYKDSA-N 1 3 301.434 2.009 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1 ZINC001021096271 623345961 /nfs/dbraw/zinc/34/59/61/623345961.db2.gz LLCSQRHHKGUZCX-JYJNAYRXSA-N 1 3 321.490 2.359 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001024156397 625641088 /nfs/dbraw/zinc/64/10/88/625641088.db2.gz MTKKUWMYAWQBRB-AEFFLSMTSA-N 1 3 321.509 2.489 20 0 DEADHO CCc1cccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC000970719766 623641791 /nfs/dbraw/zinc/64/17/91/623641791.db2.gz KYGMAZARIHJQTI-GOSISDBHSA-N 1 3 315.461 2.035 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC2CC3(CCC3)C2)C1 ZINC000971202594 624068639 /nfs/dbraw/zinc/06/86/39/624068639.db2.gz ZCTNTAHJHBLVIT-IRXDYDNUSA-N 1 3 319.493 2.194 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC2CC3(CCC3)C2)C1 ZINC000971202594 624068640 /nfs/dbraw/zinc/06/86/40/624068640.db2.gz ZCTNTAHJHBLVIT-IRXDYDNUSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@@H](NC(=O)NCCC(C)(C)[NH3+])[C@@H](c1ccccc1)N(C)C ZINC000891894296 624649463 /nfs/dbraw/zinc/64/94/63/624649463.db2.gz FJSIQVGQQJTHEH-HIFRSBDPSA-N 1 3 306.454 2.104 20 0 DEADHO C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)C1(Br)CC1 ZINC000926286476 624651946 /nfs/dbraw/zinc/65/19/46/624651946.db2.gz FNJQZFHJGLLLLC-QWHCGFSZSA-N 1 3 319.287 2.393 20 0 DEADHO C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)C1(Br)CC1 ZINC000926286476 624651949 /nfs/dbraw/zinc/65/19/49/624651949.db2.gz FNJQZFHJGLLLLC-QWHCGFSZSA-N 1 3 319.287 2.393 20 0 DEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N(C)[C@@H]2CCCN(C)C2)C1 ZINC000891903348 624654271 /nfs/dbraw/zinc/65/42/71/624654271.db2.gz KCRJBPBNHHLEJE-DLBZAZTESA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N(C)[C@@H]2CCCN(C)C2)C1 ZINC000891903348 624654273 /nfs/dbraw/zinc/65/42/73/624654273.db2.gz KCRJBPBNHHLEJE-DLBZAZTESA-N 1 3 324.513 2.234 20 0 DEADHO CN(CCCCCC[NH3+])C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000892119180 624787893 /nfs/dbraw/zinc/78/78/93/624787893.db2.gz OFGQLUZZHJNMSJ-KRWDZBQOSA-N 1 3 318.465 2.034 20 0 DEADHO C[N@H+](CCC1CCCC1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972426872 625071406 /nfs/dbraw/zinc/07/14/06/625071406.db2.gz RBZDDUYAFVLVCH-INIZCTEOSA-N 1 3 304.438 2.065 20 0 DEADHO C[N@@H+](CCC1CCCC1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972426872 625071408 /nfs/dbraw/zinc/07/14/08/625071408.db2.gz RBZDDUYAFVLVCH-INIZCTEOSA-N 1 3 304.438 2.065 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001024901838 625101570 /nfs/dbraw/zinc/10/15/70/625101570.db2.gz AHDMVTPVIUFYOI-CVEARBPZSA-N 1 3 321.490 2.313 20 0 DEADHO CCC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]12 ZINC001026267852 625240752 /nfs/dbraw/zinc/24/07/52/625240752.db2.gz RGZBBMGOJGOOTM-IXDOHACOSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCC(C)C)C1 ZINC001007455575 625249134 /nfs/dbraw/zinc/24/91/34/625249134.db2.gz CKQIOLQZIAKGET-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCC(C)C)C1 ZINC001007455575 625249136 /nfs/dbraw/zinc/24/91/36/625249136.db2.gz CKQIOLQZIAKGET-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO c1ccc([C@H](CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)N2CCCC2)cc1 ZINC000328239215 625746954 /nfs/dbraw/zinc/74/69/54/625746954.db2.gz AQJHQOKSYHXMFR-GFLQDLJJSA-N 1 3 311.473 2.410 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001007742510 625842238 /nfs/dbraw/zinc/84/22/38/625842238.db2.gz FQDRUQHFVZMVBY-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001007742510 625842243 /nfs/dbraw/zinc/84/22/43/625842243.db2.gz FQDRUQHFVZMVBY-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518049 634496338 /nfs/dbraw/zinc/49/63/38/634496338.db2.gz MZPWYSGBHDTRHQ-FGTMMUONSA-N 1 3 319.493 2.217 20 0 DEADHO CC(C)=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518049 634496347 /nfs/dbraw/zinc/49/63/47/634496347.db2.gz MZPWYSGBHDTRHQ-FGTMMUONSA-N 1 3 319.493 2.217 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)C2CC([NH2+]CC3=CCCCC3)C2)C1 ZINC000999408366 634586048 /nfs/dbraw/zinc/58/60/48/634586048.db2.gz JNEFDYACCQWHAS-ZLPCBKJTSA-N 1 3 319.493 2.408 20 0 DEADHO CN(C)CC[NH+]1CCC(CNCc2nc(C(C)(C)C)co2)CC1 ZINC000921686620 634668123 /nfs/dbraw/zinc/66/81/23/634668123.db2.gz LUQWNGJOYMXDLK-UHFFFAOYSA-N 1 3 322.497 2.335 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CC2CCC2)C1 ZINC000999876488 634697903 /nfs/dbraw/zinc/69/79/03/634697903.db2.gz MDSCQFQOVYCHAT-OFLPRAFFSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)CC1(C)C ZINC000995797640 633119390 /nfs/dbraw/zinc/11/93/90/633119390.db2.gz MPEHJBAOBNZXBF-HZPDHXFCSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@H]([NH2+]CCC2CC2)C(C)(C)C1)N(C)C ZINC000995926344 633140992 /nfs/dbraw/zinc/14/09/92/633140992.db2.gz MNCYVHFAHHUVQZ-HOTGVXAUSA-N 1 3 309.498 2.199 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1)C1CC1 ZINC001026888938 633242369 /nfs/dbraw/zinc/24/23/69/633242369.db2.gz PHZACOIBQVDYLB-WMLDXEAASA-N 1 3 321.509 2.201 20 0 DEADHO C[C@@H](C(=O)N1C[C@@H]([NH2+]CC2CC2)C(C)(C)C1)N1CCCCCC1 ZINC000996381349 633251248 /nfs/dbraw/zinc/25/12/48/633251248.db2.gz UVMZIUQQNKIEIV-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[NH2+][C@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)CC1(C)C ZINC000996381756 633251345 /nfs/dbraw/zinc/25/13/45/633251345.db2.gz YHWBMKFHNQDQLF-HOTGVXAUSA-N 1 3 309.498 2.484 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC)C(C)(C)C1 ZINC000996504479 633269394 /nfs/dbraw/zinc/26/93/94/633269394.db2.gz DPJOZVRNAIEFBE-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CC1(C)C[N@H+](CC2CC2)C[C@@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000974863397 633338793 /nfs/dbraw/zinc/33/87/93/633338793.db2.gz ORTXCZSCBNSVSB-DLBZAZTESA-N 1 3 319.493 2.097 20 0 DEADHO CC1(C)C[N@@H+](CC2CC2)C[C@@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000974863397 633338799 /nfs/dbraw/zinc/33/87/99/633338799.db2.gz ORTXCZSCBNSVSB-DLBZAZTESA-N 1 3 319.493 2.097 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000997039565 633563103 /nfs/dbraw/zinc/56/31/03/633563103.db2.gz DLPOIVVLQKQNIC-GOSISDBHSA-N 1 3 324.428 2.220 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC2CC2)CC1 ZINC000997079100 633567267 /nfs/dbraw/zinc/56/72/67/633567267.db2.gz OGJWDMLTQJYENU-QAPCUYQASA-N 1 3 321.509 2.486 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1c2c(nn1C)CCOC2 ZINC000921531861 633618371 /nfs/dbraw/zinc/61/83/71/633618371.db2.gz DHYUUAAQKWBWIP-OAHLLOKOSA-N 1 3 320.481 2.237 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1c2c(nn1C)CCOC2 ZINC000921531861 633618374 /nfs/dbraw/zinc/61/83/74/633618374.db2.gz DHYUUAAQKWBWIP-OAHLLOKOSA-N 1 3 320.481 2.237 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CCC2CC2)C1)C1CC1 ZINC001027443292 633793646 /nfs/dbraw/zinc/79/36/46/633793646.db2.gz LAKNOODSDGWLMG-SJORKVTESA-N 1 3 307.482 2.050 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CC2)C1)C1CC1 ZINC001027443292 633793649 /nfs/dbraw/zinc/79/36/49/633793649.db2.gz LAKNOODSDGWLMG-SJORKVTESA-N 1 3 307.482 2.050 20 0 DEADHO C[C@@H](NCCC(C)(C)[NH3+])[C@@H](c1ccccc1)N1CCOCC1 ZINC000925740045 634332358 /nfs/dbraw/zinc/33/23/58/634332358.db2.gz GNSICPMGTLBZGJ-WBVHZDCISA-N 1 3 305.466 2.165 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CCC[C@@H]([NH2+]CCF)C1 ZINC000981541323 635523132 /nfs/dbraw/zinc/52/31/32/635523132.db2.gz JZICGJZNWRZWDI-CVEARBPZSA-N 1 3 321.440 2.348 20 0 DEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCCN2CCSC[C@H]12 ZINC000925824540 635703751 /nfs/dbraw/zinc/70/37/51/635703751.db2.gz AEDOEXHIZZNCDB-LTIDMASMSA-N 1 3 311.539 2.467 20 0 DEADHO CC[C@H](C(=O)N1C[C@]2(C)C[N@H+](CCC3CC3)C[C@]2(C)C1)N(C)C ZINC000982306052 635959906 /nfs/dbraw/zinc/95/99/06/635959906.db2.gz GEMKAQBUPSPWRD-QRQLOZEOSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@H](C(=O)N1C[C@]2(C)C[N@@H+](CCC3CC3)C[C@]2(C)C1)N(C)C ZINC000982306052 635959907 /nfs/dbraw/zinc/95/99/07/635959907.db2.gz GEMKAQBUPSPWRD-QRQLOZEOSA-N 1 3 321.509 2.297 20 0 DEADHO CCC(CC)C[NH+]1CCC(NC(=O)CN2CCC[C@H]2C)CC1 ZINC001003628429 636007926 /nfs/dbraw/zinc/00/79/26/636007926.db2.gz PKKZRKDXYLCTMT-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1cc(CN2CCC[C@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)cs1 ZINC001028316735 636127495 /nfs/dbraw/zinc/12/74/95/636127495.db2.gz UEVJYUROAZZONI-HOTGVXAUSA-N 1 3 321.490 2.089 20 0 DEADHO Cc1cc(CN2CCC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)cs1 ZINC001028316735 636127499 /nfs/dbraw/zinc/12/74/99/636127499.db2.gz UEVJYUROAZZONI-HOTGVXAUSA-N 1 3 321.490 2.089 20 0 DEADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1ccc(Cl)nc1)C2 ZINC000922389491 636150730 /nfs/dbraw/zinc/15/07/30/636150730.db2.gz WROUEZQCXIYVPZ-MUIFIZLQSA-N 1 3 323.868 2.304 20 0 DEADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1ccc(Cl)nc1)C2 ZINC000922389491 636150734 /nfs/dbraw/zinc/15/07/34/636150734.db2.gz WROUEZQCXIYVPZ-MUIFIZLQSA-N 1 3 323.868 2.304 20 0 DEADHO Cc1nc(F)ccc1CN[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922390519 636153171 /nfs/dbraw/zinc/15/31/71/636153171.db2.gz NOJVIPQPGANDFL-AHCXZYCDSA-N 1 3 321.440 2.098 20 0 DEADHO Cc1nc(F)ccc1CN[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922390519 636153174 /nfs/dbraw/zinc/15/31/74/636153174.db2.gz NOJVIPQPGANDFL-AHCXZYCDSA-N 1 3 321.440 2.098 20 0 DEADHO FC(F)(F)CN1CCC[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000922709803 636340342 /nfs/dbraw/zinc/34/03/42/636340342.db2.gz PCMSSJNTAVUFCQ-HZSPNIEDSA-N 1 3 305.388 2.230 20 0 DEADHO FC(F)(F)CN1CCC[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000922709803 636340351 /nfs/dbraw/zinc/34/03/51/636340351.db2.gz PCMSSJNTAVUFCQ-HZSPNIEDSA-N 1 3 305.388 2.230 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779458 636647606 /nfs/dbraw/zinc/64/76/06/636647606.db2.gz PEXGXXZXKTXNAR-KURKYZTESA-N 1 3 321.509 2.155 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779458 636647610 /nfs/dbraw/zinc/64/76/10/636647610.db2.gz PEXGXXZXKTXNAR-KURKYZTESA-N 1 3 321.509 2.155 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CCC3CC3)C[C@H]2CC1)N(C)C ZINC000946784770 636652665 /nfs/dbraw/zinc/65/26/65/636652665.db2.gz SRVWGRNJXHMJCE-KSZLIROESA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCC3CC3)C[C@H]2CC1)N(C)C ZINC000946784770 636652673 /nfs/dbraw/zinc/65/26/73/636652673.db2.gz SRVWGRNJXHMJCE-KSZLIROESA-N 1 3 321.509 2.297 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001028919194 636851117 /nfs/dbraw/zinc/85/11/17/636851117.db2.gz SCXMJFGTEWILMO-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC001028919194 636851118 /nfs/dbraw/zinc/85/11/18/636851118.db2.gz SCXMJFGTEWILMO-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC2CC2)C1 ZINC001028918559 636852354 /nfs/dbraw/zinc/85/23/54/636852354.db2.gz IMWPGKOZOAECHI-MSOLQXFVSA-N 1 3 321.509 2.489 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001028918559 636852357 /nfs/dbraw/zinc/85/23/57/636852357.db2.gz IMWPGKOZOAECHI-MSOLQXFVSA-N 1 3 321.509 2.489 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CC[N@H+](CCCF)C1 ZINC001029005180 636947202 /nfs/dbraw/zinc/94/72/02/636947202.db2.gz YLQVCXCZKRYXJK-OAHLLOKOSA-N 1 3 321.440 2.160 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CC[N@@H+](CCCF)C1 ZINC001029005180 636947204 /nfs/dbraw/zinc/94/72/04/636947204.db2.gz YLQVCXCZKRYXJK-OAHLLOKOSA-N 1 3 321.440 2.160 20 0 DEADHO c1ccc2c(c1)OC[C@H](CN1CCC([C@@H]3CC[NH2+]C3)CC1)O2 ZINC000923358045 637133027 /nfs/dbraw/zinc/13/30/27/637133027.db2.gz WKXZXTFVVOORNK-CVEARBPZSA-N 1 3 302.418 2.148 20 0 DEADHO c1cncc(CN2CCN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000923372564 637136847 /nfs/dbraw/zinc/13/68/47/637136847.db2.gz IEXSHVBNHIIMAO-JLYLLQBASA-N 1 3 314.477 2.120 20 0 DEADHO O[C@H](CN1CCC([C@H]2CCC[NH2+]2)CC1)c1ccc(F)cc1F ZINC000923364075 637136861 /nfs/dbraw/zinc/13/68/61/637136861.db2.gz GWNYRKNMIWUAQK-IAGOWNOFSA-N 1 3 310.388 2.462 20 0 DEADHO [NH3+]C[C@H](NC[C@@H](O)COc1ccccc1F)C1CCCCC1 ZINC000923372753 637141776 /nfs/dbraw/zinc/14/17/76/637141776.db2.gz IZHVXYWEEZAKBY-ZBFHGGJFSA-N 1 3 310.413 2.063 20 0 DEADHO CCc1onc(C)c1CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000923375524 637145719 /nfs/dbraw/zinc/14/57/19/637145719.db2.gz NUEVSWYDVPFIGC-RDJZCZTQSA-N 1 3 307.438 2.264 20 0 DEADHO Cc1cccc(OC[C@H](O)CN2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1 ZINC000923381084 637148741 /nfs/dbraw/zinc/14/87/41/637148741.db2.gz BHCSVAGEQLXQJQ-VVLHAWIVSA-N 1 3 306.450 2.040 20 0 DEADHO C[NH+]1CCC(CN2C[C@H](c3ccccc3)[C@](F)(CO)C2)CC1 ZINC000894688031 637164984 /nfs/dbraw/zinc/16/49/84/637164984.db2.gz LRAUSTFFIIVIJD-QZTJIDSGSA-N 1 3 306.425 2.128 20 0 DEADHO O[C@@H](CCc1ccccc1)CN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000923426453 637171780 /nfs/dbraw/zinc/17/17/80/637171780.db2.gz DXLURUZAPGLFLD-RBUKOAKNSA-N 1 3 302.462 2.446 20 0 DEADHO [NH3+]CC[C@@H]1CCN([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000923482256 637203212 /nfs/dbraw/zinc/20/32/12/637203212.db2.gz PQEOXHSVWCFLPT-DOMZBBRYSA-N 1 3 307.825 2.116 20 0 DEADHO CC(C)c1ccc(CCNC(=O)CN2CC[C@@H](CC[NH3+])C2)cc1 ZINC000923488275 637207801 /nfs/dbraw/zinc/20/78/01/637207801.db2.gz REVUCYWUDFKHMR-QGZVFWFLSA-N 1 3 317.477 2.139 20 0 DEADHO C[C@H](NC(=O)CN1CC[C@@H](C[NH3+])[C@H](C)C1)c1ccccc1Cl ZINC000923502588 637213295 /nfs/dbraw/zinc/21/32/95/637213295.db2.gz CGCMIULJRCNYTE-RDBSUJKOSA-N 1 3 323.868 2.434 20 0 DEADHO CC(C)N(C)C(=O)[C@@H](C)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923506517 637220953 /nfs/dbraw/zinc/22/09/53/637220953.db2.gz XPKVPEIALKILRT-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](C(=O)N1CCCCC1)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923506479 637221212 /nfs/dbraw/zinc/22/12/12/637221212.db2.gz JBEXENRQKWQYMP-DLBZAZTESA-N 1 3 321.509 2.489 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CCC(C)C)[C@H](C)C1 ZINC000947980161 637236745 /nfs/dbraw/zinc/23/67/45/637236745.db2.gz OGVGCKONPMEGNF-UKRRQHHQSA-N 1 3 306.454 2.276 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CCC(C)C)[C@H](C)C1 ZINC000947980161 637236749 /nfs/dbraw/zinc/23/67/49/637236749.db2.gz OGVGCKONPMEGNF-UKRRQHHQSA-N 1 3 306.454 2.276 20 0 DEADHO C[C@@H]([NH2+]CC1CC1)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001029159401 637282086 /nfs/dbraw/zinc/28/20/86/637282086.db2.gz BZXUMZBWYBGCSN-MRXNPFEDSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(C)C ZINC001029375167 637680263 /nfs/dbraw/zinc/68/02/63/637680263.db2.gz GHEOIRZDCLGQMZ-IXDOHACOSA-N 1 3 307.482 2.190 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(C)C ZINC001029375167 637680266 /nfs/dbraw/zinc/68/02/66/637680266.db2.gz GHEOIRZDCLGQMZ-IXDOHACOSA-N 1 3 307.482 2.190 20 0 DEADHO COC(=O)c1cccc2c(C[NH2+]CC[C@H](C)N(C)C)ccnc12 ZINC000895290582 637893934 /nfs/dbraw/zinc/89/39/34/637893934.db2.gz MXMVPHAOGZGFGM-ZDUSSCGKSA-N 1 3 315.417 2.451 20 0 DEADHO Cc1ccc(CC[NH+]2CCC(N3CC[C@@H](O)C3)CC2)cc1C ZINC000895455835 638032230 /nfs/dbraw/zinc/03/22/30/638032230.db2.gz DZVMPXSGOINDLP-LJQANCHMSA-N 1 3 302.462 2.377 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]C[C@]2(C)CCCNC2)C1 ZINC000841057520 650416962 /nfs/dbraw/zinc/41/69/62/650416962.db2.gz OIFTUBZNJHOLOG-VNHYZAJKSA-N 1 3 318.408 2.333 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCC2)C1 ZINC000984800664 638693461 /nfs/dbraw/zinc/69/34/61/638693461.db2.gz RINZEKJBUXIWFD-XIRDDKMYSA-N 1 3 307.482 2.145 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC(C)C2)C1 ZINC000985149205 639081999 /nfs/dbraw/zinc/08/19/99/639081999.db2.gz MGUBYHIMBOHIHC-NHHFINERSA-N 1 3 321.509 2.391 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CCCC2CCC2)C1 ZINC001029584500 639322131 /nfs/dbraw/zinc/32/21/31/639322131.db2.gz WKAKOFHXXPBDLV-OKZBNKHCSA-N 1 3 319.493 2.194 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CCCC2CCC2)C1 ZINC001029584500 639322137 /nfs/dbraw/zinc/32/21/37/639322137.db2.gz WKAKOFHXXPBDLV-OKZBNKHCSA-N 1 3 319.493 2.194 20 0 DEADHO C[N@H+](CCC1CC1)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000985646965 639559457 /nfs/dbraw/zinc/55/94/57/639559457.db2.gz MNZIJOARFVYNJZ-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO C[N@@H+](CCC1CC1)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000985646965 639559459 /nfs/dbraw/zinc/55/94/59/639559459.db2.gz MNZIJOARFVYNJZ-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC([N@H+](C)CC2CCC2)CC1 ZINC000985648013 639561450 /nfs/dbraw/zinc/56/14/50/639561450.db2.gz SXXZLGVXIFQCGX-OAHLLOKOSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC([N@@H+](C)CC2CCC2)CC1 ZINC000985648013 639561453 /nfs/dbraw/zinc/56/14/53/639561453.db2.gz SXXZLGVXIFQCGX-OAHLLOKOSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)C1(C(=O)N2CCC(C[N@H+](C)CC3CC3)CC2)CCC1 ZINC001029970408 639944195 /nfs/dbraw/zinc/94/41/95/639944195.db2.gz YSRQPTCNALHAFM-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO CN(C)C1(C(=O)N2CCC(C[N@@H+](C)CC3CC3)CC2)CCC1 ZINC001029970408 639944198 /nfs/dbraw/zinc/94/41/98/639944198.db2.gz YSRQPTCNALHAFM-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CC2CCCC2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987256030 640143739 /nfs/dbraw/zinc/14/37/39/640143739.db2.gz RVSDOBCACVVBOM-WMZOPIPTSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)(O)CN1CCC([NH2+]Cc2cnn(CC3CCC3)c2)CC1 ZINC000897429337 640210458 /nfs/dbraw/zinc/21/04/58/640210458.db2.gz DRWZDRYVICZLMR-UHFFFAOYSA-N 1 3 320.481 2.008 20 0 DEADHO C[C@@H]1[C@@H]([NH2+]Cc2cccc(F)c2)CCN1C(=O)CN1CCCC1 ZINC000987520140 640211378 /nfs/dbraw/zinc/21/13/78/640211378.db2.gz BKBAWCGRZAWJFE-PBHICJAKSA-N 1 3 319.424 2.001 20 0 DEADHO C[C@@H]1[C@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CN1CCCC1 ZINC000987534764 640214522 /nfs/dbraw/zinc/21/45/22/640214522.db2.gz WKUCEWFXUVLVAA-GDBMZVCRSA-N 1 3 307.482 2.097 20 0 DEADHO CCC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@@H]1C ZINC000987568413 640225093 /nfs/dbraw/zinc/22/50/93/640225093.db2.gz RFBAMFRMZYJGQZ-PBHICJAKSA-N 1 3 303.450 2.351 20 0 DEADHO CCCC[C@H](C[NH3+])NC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000841848835 650578572 /nfs/dbraw/zinc/57/85/72/650578572.db2.gz XWLGOJOJMFCIIM-OLZOCXBDSA-N 1 3 312.845 2.067 20 0 DEADHO C[C@H]1NCCN(C(=O)NC2CCC([NH+]3CCCCC3)CC2)[C@@H]1C ZINC000841855453 650581820 /nfs/dbraw/zinc/58/18/20/650581820.db2.gz OYNOGXSINSHADI-NUWOQIAWSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]Cc2ccsc2)CN1C(=O)CN(C)C1CCC1 ZINC000988955441 640695674 /nfs/dbraw/zinc/69/56/74/640695674.db2.gz KAOOJPCPINXXCJ-HIFRSBDPSA-N 1 3 321.490 2.311 20 0 DEADHO [NH3+]CCc1ccc(CNCc2ccc(N3CCCC3)nc2)cc1 ZINC000841031927 640860651 /nfs/dbraw/zinc/86/06/51/640860651.db2.gz CFCZEWCLRISKCS-UHFFFAOYSA-N 1 3 310.445 2.473 20 0 DEADHO Cn1cc([C@@]2(C[NH2+]C3CCN(C(C)(C)C)CC3)CCCO2)cn1 ZINC000898057958 641012502 /nfs/dbraw/zinc/01/25/02/641012502.db2.gz ZCEIRKXMNIBQMY-SFHVURJKSA-N 1 3 320.481 2.278 20 0 DEADHO O=C(N1CCCN(CC2=CCCCC2)CC1)C12CC[NH+](CC1)C2 ZINC000989491054 641123024 /nfs/dbraw/zinc/12/30/24/641123024.db2.gz QDFZEDMVCXQEFX-UHFFFAOYSA-N 1 3 317.477 2.117 20 0 DEADHO CO[C@@H]1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000769446231 641240824 /nfs/dbraw/zinc/24/08/24/641240824.db2.gz KRHMTKPASAWDFN-GOSISDBHSA-N 1 3 304.434 2.382 20 0 DEADHO CCc1noc(C)c1[C@H](C)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000769879121 641304139 /nfs/dbraw/zinc/30/41/39/641304139.db2.gz ZZOWQULFJILFBN-ZFWWWQNUSA-N 1 3 309.454 2.433 20 0 DEADHO CCc1noc(C)c1[C@H](C)NCCCC[N@H+]1CCC[C@H]1CO ZINC000769879121 641304142 /nfs/dbraw/zinc/30/41/42/641304142.db2.gz ZZOWQULFJILFBN-ZFWWWQNUSA-N 1 3 309.454 2.433 20 0 DEADHO CCc1noc(C)c1[C@@H](C)[NH2+]C[C@H](C)CN1CCN(CC)CC1 ZINC000769875856 641305063 /nfs/dbraw/zinc/30/50/63/641305063.db2.gz XOKULJXWCCZZQW-LSDHHAIUSA-N 1 3 322.497 2.470 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccccc2F)CC1 ZINC000990245404 641410538 /nfs/dbraw/zinc/41/05/38/641410538.db2.gz WLQWAAAMJBRBBU-QGZVFWFLSA-N 1 3 319.424 2.001 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000924624206 641465557 /nfs/dbraw/zinc/46/55/57/641465557.db2.gz ABFGLIRLQMBOSY-JJTKIYQPSA-N 1 3 310.445 2.345 20 0 DEADHO C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc([O-])cc(F)c1 ZINC000924631800 641507480 /nfs/dbraw/zinc/50/74/80/641507480.db2.gz JSYJKSDRLGMDKB-ZDUSSCGKSA-N 1 3 309.429 2.208 20 0 DEADHO COCCN(C)CCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000924655548 641547382 /nfs/dbraw/zinc/54/73/82/641547382.db2.gz KHIQOWAXWBAXOD-PKOBYXMFSA-N 1 3 319.493 2.207 20 0 DEADHO C[NH+](C)CCOc1cccc(-c2ccc(C3(O)CNC3)cc2)c1 ZINC000899321977 642028888 /nfs/dbraw/zinc/02/88/88/642028888.db2.gz BUMPDPMOYNSWBR-UHFFFAOYSA-N 1 3 312.413 2.085 20 0 DEADHO CCC[NH+]1CCC(NC[C@@H](O)CC[C@H](O)c2ccccc2)CC1 ZINC000899861758 642195218 /nfs/dbraw/zinc/19/52/18/642195218.db2.gz XWTNTSVAQXOJFN-OALUTQOASA-N 1 3 320.477 2.325 20 0 DEADHO C[NH+](C)[C@H](CNC(=O)c1ccc(NC2=NCCC2)cc1)C1CC1 ZINC000900281629 642309343 /nfs/dbraw/zinc/30/93/43/642309343.db2.gz AKIGNOMTRBLWCK-MRXNPFEDSA-N 1 3 314.433 2.361 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000842514983 650759016 /nfs/dbraw/zinc/75/90/16/650759016.db2.gz LEYWCAMQXREAKN-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO [NH3+]CCCC[C@H](NC[C@H]1COCCO1)c1ccc(F)cc1F ZINC000902321716 642990076 /nfs/dbraw/zinc/99/00/76/642990076.db2.gz XMXKHUVDQNCYKM-BBRMVZONSA-N 1 3 314.376 2.140 20 0 DEADHO CC1(C)C[NH2+]CC[C@H](N[C@@H]2CCN(c3ncccc3F)C2)C1 ZINC000902345869 643002957 /nfs/dbraw/zinc/00/29/57/643002957.db2.gz MVEUESLCIWJRPL-UONOGXRCSA-N 1 3 306.429 2.167 20 0 DEADHO Cc1cc(N2CCC[C@@H](N[C@@H]3CC[NH2+]CC(C)(C)C3)C2)n(C)n1 ZINC000902377163 643014978 /nfs/dbraw/zinc/01/49/78/643014978.db2.gz RQGUNXDLZPECHW-HZPDHXFCSA-N 1 3 319.497 2.065 20 0 DEADHO CC1(C)C[NH2+]CC[C@H](NCc2cccc(N3CCOCC3)c2)C1 ZINC000902389785 643026638 /nfs/dbraw/zinc/02/66/38/643026638.db2.gz YMRMMBSHTOXNML-KRWDZBQOSA-N 1 3 317.477 2.391 20 0 DEADHO COc1ccc([C@@H](CO)CN[C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000902391556 643027825 /nfs/dbraw/zinc/02/78/25/643027825.db2.gz YLOBYNWNRPACCM-HZPDHXFCSA-N 1 3 306.450 2.139 20 0 DEADHO CNc1ccc(C)cc1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000902539391 643059585 /nfs/dbraw/zinc/05/95/85/643059585.db2.gz UNFQVUWOIYHFSK-UHFFFAOYSA-N 1 3 304.482 2.152 20 0 DEADHO C[C@@H]1C[C@H](N[C@H](CC[NH+](C)C)c2cccnc2)CN1C1CC1 ZINC000903384073 643336004 /nfs/dbraw/zinc/33/60/04/643336004.db2.gz PKYWFXMZTAIVJI-UWWQBHOKSA-N 1 3 302.466 2.289 20 0 DEADHO COc1cc(OC)cc(OCCCN(C)C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903441423 643349994 /nfs/dbraw/zinc/34/99/94/643349994.db2.gz RNXPTOXDTWEKIC-CABCVRRESA-N 1 3 322.449 2.260 20 0 DEADHO Cc1cn2c(nc(CN(C)CCCCCC[NH3+])cc2=O)s1 ZINC000903482475 643362609 /nfs/dbraw/zinc/36/26/09/643362609.db2.gz IXVZMPAJKIDJDE-UHFFFAOYSA-N 1 3 308.451 2.015 20 0 DEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000903491021 643368624 /nfs/dbraw/zinc/36/86/24/643368624.db2.gz RDQOQGJUDVGROY-XSDIEEQYSA-N 1 3 322.452 2.191 20 0 DEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000903491021 643368625 /nfs/dbraw/zinc/36/86/25/643368625.db2.gz RDQOQGJUDVGROY-XSDIEEQYSA-N 1 3 322.452 2.191 20 0 DEADHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786839001 643416358 /nfs/dbraw/zinc/41/63/58/643416358.db2.gz PLAZXQOBQWGVAC-LSDHHAIUSA-N 1 3 316.449 2.209 20 0 DEADHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786839001 643416362 /nfs/dbraw/zinc/41/63/62/643416362.db2.gz PLAZXQOBQWGVAC-LSDHHAIUSA-N 1 3 316.449 2.209 20 0 DEADHO [NH3+]CCCOC1CCN(C[C@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000903717328 643436835 /nfs/dbraw/zinc/43/68/35/643436835.db2.gz NMFDMFLLMUNZKS-KGLIPLIRSA-N 1 3 324.387 2.316 20 0 DEADHO CN(CCOc1ccccc1F)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717460 643437995 /nfs/dbraw/zinc/43/79/95/643437995.db2.gz AQAWUNANEYWCBV-OAHLLOKOSA-N 1 3 322.424 2.295 20 0 DEADHO CN(CCOc1ccccc1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717611 643438312 /nfs/dbraw/zinc/43/83/12/643438312.db2.gz BPXBMQUXZUDWPE-QGZVFWFLSA-N 1 3 304.434 2.156 20 0 DEADHO Cc1nn(C)cc1[C@@H]1CCCN1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903740276 643450496 /nfs/dbraw/zinc/45/04/96/643450496.db2.gz FRBAYHBPTYRANZ-RDJZCZTQSA-N 1 3 318.465 2.024 20 0 DEADHO CC[C@@H](C)NC(=O)[C@@H](C)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793361 643457390 /nfs/dbraw/zinc/45/73/90/643457390.db2.gz BLESZDOHQFTNNM-HZPDHXFCSA-N 1 3 317.477 2.282 20 0 DEADHO Cc1cc(NC(=O)CC[N@@H+]2CCCC[C@@H]2C2(CN)CCC2)no1 ZINC000903813814 643470604 /nfs/dbraw/zinc/47/06/04/643470604.db2.gz IQWQPKIVGLLWLJ-CQSZACIVSA-N 1 3 320.437 2.295 20 0 DEADHO Cc1cc(NC(=O)CC[N@H+]2CCCC[C@@H]2C2(CN)CCC2)no1 ZINC000903813814 643470609 /nfs/dbraw/zinc/47/06/09/643470609.db2.gz IQWQPKIVGLLWLJ-CQSZACIVSA-N 1 3 320.437 2.295 20 0 DEADHO Cc1cc(NC(=O)CCN2CCCC[C@@H]2C2(C[NH3+])CCC2)no1 ZINC000903813814 643470613 /nfs/dbraw/zinc/47/06/13/643470613.db2.gz IQWQPKIVGLLWLJ-CQSZACIVSA-N 1 3 320.437 2.295 20 0 DEADHO Cc1c(C[C@@H](C[NH3+])CN(C)Cc2cccc(C)c2)cnn1C ZINC000903880560 643494705 /nfs/dbraw/zinc/49/47/05/643494705.db2.gz UFHGXWFUKGXZRC-KRWDZBQOSA-N 1 3 300.450 2.286 20 0 DEADHO C[C@H](c1ccncc1)N1CCC([NH2+]C[C@@H](N)CC(F)F)CC1 ZINC000903924264 643510301 /nfs/dbraw/zinc/51/03/01/643510301.db2.gz AUIPAJLRZRCQJS-OCCSQVGLSA-N 1 3 312.408 2.179 20 0 DEADHO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CCCN1C1CC1 ZINC000787879436 643556456 /nfs/dbraw/zinc/55/64/56/643556456.db2.gz QCJGOECBAFJVKB-SFHVURJKSA-N 1 3 315.461 2.333 20 0 DEADHO COc1cc(CN2CC[C@@H](C[NH3+])[C@H](C)C2)cc(OC)c1OC ZINC000904410072 643661296 /nfs/dbraw/zinc/66/12/96/643661296.db2.gz AAZWOEHCROZYIC-OCCSQVGLSA-N 1 3 308.422 2.129 20 0 DEADHO COc1ccccc1-n1nccc1CN1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904411986 643662881 /nfs/dbraw/zinc/66/28/81/643662881.db2.gz YPHGMCVXKUXEMP-CABCVRRESA-N 1 3 314.433 2.298 20 0 DEADHO CN(CC(=O)NCCC1=CCCCC1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000904445054 643673141 /nfs/dbraw/zinc/67/31/41/643673141.db2.gz VMOLENHIUNEFNH-AYHJJNSGSA-N 1 3 319.493 2.456 20 0 DEADHO CC(C)[N@H+](C)Cc1ccccc1CNC[C@H](O)C1(O)CCCC1 ZINC000905048910 643771073 /nfs/dbraw/zinc/77/10/73/643771073.db2.gz GZMTUTCEZKQOGU-SFHVURJKSA-N 1 3 320.477 2.282 20 0 DEADHO CC(C)[N@@H+](C)Cc1ccccc1CNC[C@H](O)C1(O)CCCC1 ZINC000905048910 643771076 /nfs/dbraw/zinc/77/10/76/643771076.db2.gz GZMTUTCEZKQOGU-SFHVURJKSA-N 1 3 320.477 2.282 20 0 DEADHO O[C@@H](CCOCc1ccccc1)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000905052031 643771575 /nfs/dbraw/zinc/77/15/75/643771575.db2.gz ZSWYRCWWAXAAIC-QRVBRYPASA-N 1 3 318.461 2.171 20 0 DEADHO O[C@@H](CCOCc1ccccc1)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000905052031 643771577 /nfs/dbraw/zinc/77/15/77/643771577.db2.gz ZSWYRCWWAXAAIC-QRVBRYPASA-N 1 3 318.461 2.171 20 0 DEADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC000905053652 643772850 /nfs/dbraw/zinc/77/28/50/643772850.db2.gz BVGYFLUESYGBHY-QZTJIDSGSA-N 1 3 320.477 2.324 20 0 DEADHO c1cn(-c2ccc(CN3CCC([C@H]4CCC[NH2+]4)CC3)cn2)cn1 ZINC000843045597 650876423 /nfs/dbraw/zinc/87/64/23/650876423.db2.gz KAQHDGQVCNLGMP-QGZVFWFLSA-N 1 3 311.433 2.231 20 0 DEADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC[C@@](C)(O)C(F)F ZINC000905400280 643894804 /nfs/dbraw/zinc/89/48/04/643894804.db2.gz QHKCKPMAZVJMFA-FRFSOERESA-N 1 3 312.404 2.360 20 0 DEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC[C@@](C)(O)C(F)F ZINC000905400280 643894808 /nfs/dbraw/zinc/89/48/08/643894808.db2.gz QHKCKPMAZVJMFA-FRFSOERESA-N 1 3 312.404 2.360 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C[C@@](C)(O)C(F)F ZINC000905400280 643894810 /nfs/dbraw/zinc/89/48/10/643894810.db2.gz QHKCKPMAZVJMFA-FRFSOERESA-N 1 3 312.404 2.360 20 0 DEADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000792499916 644118383 /nfs/dbraw/zinc/11/83/83/644118383.db2.gz XTVGYRJSAFCWKR-KRWDZBQOSA-N 1 3 315.461 2.109 20 0 DEADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000792499916 644118388 /nfs/dbraw/zinc/11/83/88/644118388.db2.gz XTVGYRJSAFCWKR-KRWDZBQOSA-N 1 3 315.461 2.109 20 0 DEADHO C[N@@H+]1CC[C@]2(CCN(C[C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000795322749 644553913 /nfs/dbraw/zinc/55/39/13/644553913.db2.gz YJWXIGFQKWSJGV-QAPCUYQASA-N 1 3 323.481 2.271 20 0 DEADHO C[N@H+]1CC[C@]2(CCN(C[C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000795322749 644553916 /nfs/dbraw/zinc/55/39/16/644553916.db2.gz YJWXIGFQKWSJGV-QAPCUYQASA-N 1 3 323.481 2.271 20 0 DEADHO C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCN(C2CCC2)C1 ZINC000908356829 644843946 /nfs/dbraw/zinc/84/39/46/644843946.db2.gz BQXZXWWDZIWNLE-SZMVWBNQSA-N 1 3 319.493 2.336 20 0 DEADHO C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CCN(C2CCC2)C1 ZINC000908356829 644843947 /nfs/dbraw/zinc/84/39/47/644843947.db2.gz BQXZXWWDZIWNLE-SZMVWBNQSA-N 1 3 319.493 2.336 20 0 DEADHO C[C@@]1(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CN2CCC1CC2 ZINC000912378370 646038726 /nfs/dbraw/zinc/03/87/26/646038726.db2.gz ILWMBYSKPYKKQY-DNVCBOLYSA-N 1 3 319.493 2.242 20 0 DEADHO C[C@@]1(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CN2CCC1CC2 ZINC000912378370 646038727 /nfs/dbraw/zinc/03/87/27/646038727.db2.gz ILWMBYSKPYKKQY-DNVCBOLYSA-N 1 3 319.493 2.242 20 0 DEADHO C[NH+]1CCC(C)(CNCc2cnc(C3OCCO3)s2)CC1 ZINC000809636514 646253593 /nfs/dbraw/zinc/25/35/93/646253593.db2.gz BNHJJQVXXXRUNE-UHFFFAOYSA-N 1 3 311.451 2.010 20 0 DEADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000309992622 646287475 /nfs/dbraw/zinc/28/74/75/646287475.db2.gz AOFQCJIEVWCWHY-MOPGFXCFSA-N 1 3 320.477 2.226 20 0 DEADHO CC(C)N(C)C[C@H](O)C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000309992622 646287477 /nfs/dbraw/zinc/28/74/77/646287477.db2.gz AOFQCJIEVWCWHY-MOPGFXCFSA-N 1 3 320.477 2.226 20 0 DEADHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810221326 646341163 /nfs/dbraw/zinc/34/11/63/646341163.db2.gz DOEDQFWSEXPSEL-CZUORRHYSA-N 1 3 301.450 2.045 20 0 DEADHO CC[C@H](C)CN1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948755813 646606582 /nfs/dbraw/zinc/60/65/82/646606582.db2.gz MHITWFZBWCZVKT-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C)CN1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948755813 646606584 /nfs/dbraw/zinc/60/65/84/646606584.db2.gz MHITWFZBWCZVKT-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000812394668 646648972 /nfs/dbraw/zinc/64/89/72/646648972.db2.gz UZOHWFDBXIJZAX-WMLDXEAASA-N 1 3 315.477 2.436 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000812394668 646648973 /nfs/dbraw/zinc/64/89/73/646648973.db2.gz UZOHWFDBXIJZAX-WMLDXEAASA-N 1 3 315.477 2.436 20 0 DEADHO CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC000992685889 647185582 /nfs/dbraw/zinc/18/55/82/647185582.db2.gz GUFHTFGQVVICIV-YESZJQIVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]21 ZINC000992725223 647196705 /nfs/dbraw/zinc/19/67/05/647196705.db2.gz ZLUCOWQMHNJUQL-OWCLPIDISA-N 1 3 307.482 2.096 20 0 DEADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)COc1cccc(F)c1 ZINC000817892786 647373940 /nfs/dbraw/zinc/37/39/40/647373940.db2.gz CKLSXHJGIVXPTF-BZZMCLGOSA-N 1 3 322.424 2.076 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@](C)(O)c1cccs1 ZINC000817911572 647379824 /nfs/dbraw/zinc/37/98/24/647379824.db2.gz CLQYFKXXIFFSLF-MEDUHNTESA-N 1 3 305.447 2.469 20 0 DEADHO C[C@@H]1CCNC[C@@H]1[NH2+]C[C@H](O)c1ccccc1Br ZINC000817934169 647385828 /nfs/dbraw/zinc/38/58/28/647385828.db2.gz BYHHUGSQBUUGPX-SWHYSGLUSA-N 1 3 313.239 2.070 20 0 DEADHO C[C@H](CC(=O)Nc1cccnc1Cl)NC[C@@]1(C)CCC[NH2+]C1 ZINC000817965408 647395940 /nfs/dbraw/zinc/39/59/40/647395940.db2.gz UITYCWALLDWAGM-WBMJQRKESA-N 1 3 324.856 2.431 20 0 DEADHO CC(C)N1CC[C@H](N[C@H](C)c2cccc(C[NH+](C)C)c2)C1=O ZINC000820814833 647923867 /nfs/dbraw/zinc/92/38/67/647923867.db2.gz MQONOYJGCVFQOL-PBHICJAKSA-N 1 3 303.450 2.408 20 0 DEADHO CC[NH+](CC)CCCC1CCN(C(=O)CN2CCCC2)CC1 ZINC000821829936 648117086 /nfs/dbraw/zinc/11/70/86/648117086.db2.gz ZFRFADSCKYAKDF-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000925477315 648203991 /nfs/dbraw/zinc/20/39/91/648203991.db2.gz PVVNFTYGZXZMBZ-MQYQWHSLSA-N 1 3 319.415 2.237 20 0 DEADHO CC1(C)[C@H]([NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)[C@@H]2CCCN[C@@H]21 ZINC000925477318 648204430 /nfs/dbraw/zinc/20/44/30/648204430.db2.gz PVVNFTYGZXZMBZ-RFQIPJPRSA-N 1 3 319.415 2.237 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CCCCC[NH3+])C1 ZINC000827548597 649049103 /nfs/dbraw/zinc/04/91/03/649049103.db2.gz GUUMHVIDJCVMRD-WBVHZDCISA-N 1 3 303.450 2.457 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)CC[NH2+]C(C)(C)C)C2)cc1 ZINC000828314878 649164399 /nfs/dbraw/zinc/16/43/99/649164399.db2.gz PRQFPLBZANJBOR-KRWDZBQOSA-N 1 3 317.477 2.464 20 0 DEADHO CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC000945090270 649609645 /nfs/dbraw/zinc/60/96/45/649609645.db2.gz KIIOHVQCJHMEFZ-RHSMWYFYSA-N 1 3 303.450 2.208 20 0 DEADHO CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC000945090270 649609647 /nfs/dbraw/zinc/60/96/47/649609647.db2.gz KIIOHVQCJHMEFZ-RHSMWYFYSA-N 1 3 303.450 2.208 20 0 DEADHO CC[C@@H](CNC(=O)C[C@H]([NH3+])C1CC1)N1CCc2ccccc2C1 ZINC000831823280 649647583 /nfs/dbraw/zinc/64/75/83/649647583.db2.gz VMXRFCCMFWJCRM-ROUUACIJSA-N 1 3 315.461 2.067 20 0 DEADHO CC[C@@H]1CN(C(=O)C[C@H](N)c2cc(C)nc(Cl)c2)CC[C@H]1[NH3+] ZINC000834647393 649825906 /nfs/dbraw/zinc/82/59/06/649825906.db2.gz OEXDIPCHUNREIB-BNOWGMLFSA-N 1 3 324.856 2.019 20 0 DEADHO CC[NH2+]CC(=O)N(CC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000844177674 651086930 /nfs/dbraw/zinc/08/69/30/651086930.db2.gz MAOWEOQKFZXHMQ-NVXWUHKLSA-N 1 3 303.450 2.280 20 0 DEADHO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000844190514 651089057 /nfs/dbraw/zinc/08/90/57/651089057.db2.gz JLANVYXHFFVMHC-PBHICJAKSA-N 1 3 318.465 2.140 20 0 DEADHO CC[C@H]1CN(C)CCCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000846988980 651367133 /nfs/dbraw/zinc/36/71/33/651367133.db2.gz OGEIXISSALUWRS-WMLDXEAASA-N 1 3 313.461 2.142 20 0 DEADHO CC[C@H]1CN(C)CCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000846988980 651367134 /nfs/dbraw/zinc/36/71/34/651367134.db2.gz OGEIXISSALUWRS-WMLDXEAASA-N 1 3 313.461 2.142 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NOCCC3CC3)CC2)CC1 ZINC000848128666 651439204 /nfs/dbraw/zinc/43/92/04/651439204.db2.gz GBBLIHBATVEBIC-UHFFFAOYSA-N 1 3 323.481 2.031 20 0 DEADHO COc1ccc(OC)c(NC(=[NH2+])NC[C@H](C)N2CCCC2)c1 ZINC000848986674 651572261 /nfs/dbraw/zinc/57/22/61/651572261.db2.gz SFJFXOQUBXXKAS-LBPRGKRZSA-N 1 3 306.410 2.124 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H](F)c1ccccc1 ZINC000855347242 651679758 /nfs/dbraw/zinc/67/97/58/651679758.db2.gz ZRHMZZGAUZMPNB-HOCLYGCPSA-N 1 3 309.429 2.085 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H](F)c1ccccc1 ZINC000855347242 651679759 /nfs/dbraw/zinc/67/97/59/651679759.db2.gz ZRHMZZGAUZMPNB-HOCLYGCPSA-N 1 3 309.429 2.085 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1csc(C2CC2)n1 ZINC000855345957 651679961 /nfs/dbraw/zinc/67/99/61/651679961.db2.gz LCPVLAJRMCIWCB-LBPRGKRZSA-N 1 3 324.494 2.022 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1csc(C2CC2)n1 ZINC000855345957 651679967 /nfs/dbraw/zinc/67/99/67/651679967.db2.gz LCPVLAJRMCIWCB-LBPRGKRZSA-N 1 3 324.494 2.022 20 0 DEADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H](C)CO)C2)ccn1 ZINC000856604236 651957107 /nfs/dbraw/zinc/95/71/07/651957107.db2.gz UUCKYCMLULVWHL-QAPCUYQASA-N 1 3 321.465 2.003 20 0 DEADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](C[C@@H](C)CO)C2)ccn1 ZINC000856604236 651957114 /nfs/dbraw/zinc/95/71/14/651957114.db2.gz UUCKYCMLULVWHL-QAPCUYQASA-N 1 3 321.465 2.003 20 0 DEADHO C[C@H]([NH3+])CCNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000857112202 652053723 /nfs/dbraw/zinc/05/37/23/652053723.db2.gz HSUSVVODMMEPRI-HNNXBMFYSA-N 1 3 318.465 2.030 20 0 DEADHO CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]CC1CC(C)(C)C1 ZINC001391739958 1156763452 /nfs/dbraw/zinc/76/34/52/1156763452.db2.gz LPLZECKDHGTKNK-HOTGVXAUSA-N 1 3 311.514 2.493 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@H]2CN(CN3CCC4(CCC4)C3=O)C[C@H]2C1 ZINC001356055029 1152054904 /nfs/dbraw/zinc/05/49/04/1152054904.db2.gz ACIPTGXVJXBZCR-ARFHVFGLSA-N 1 3 305.466 2.009 20 0 DEADHO CC1CC(C[N@@H+]2CC[C@H]2CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001392856782 1157485698 /nfs/dbraw/zinc/48/56/98/1157485698.db2.gz OFEWYNCAFHIBQA-GPANFISMSA-N 1 3 307.482 2.097 20 0 DEADHO CC1CC(C[N@H+]2CC[C@H]2CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001392856782 1157485704 /nfs/dbraw/zinc/48/57/04/1157485704.db2.gz OFEWYNCAFHIBQA-GPANFISMSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccsc2)C1)N(C)C ZINC001393159061 1157728824 /nfs/dbraw/zinc/72/88/24/1157728824.db2.gz JAUIFSCWGYUPAB-RDJZCZTQSA-N 1 3 323.506 2.417 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)CC[N@H+](C)CC2CCCCC2)C1 ZINC001374536107 1157891948 /nfs/dbraw/zinc/89/19/48/1157891948.db2.gz ICAVKOFMDVISJO-MRXNPFEDSA-N 1 3 309.498 2.299 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)CC[N@@H+](C)CC2CCCCC2)C1 ZINC001374536107 1157891950 /nfs/dbraw/zinc/89/19/50/1157891950.db2.gz ICAVKOFMDVISJO-MRXNPFEDSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001375156197 1158359560 /nfs/dbraw/zinc/35/95/60/1158359560.db2.gz CMVMXLBJINTCSC-KGLIPLIRSA-N 1 3 319.440 2.199 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[N@@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001375156197 1158359566 /nfs/dbraw/zinc/35/95/66/1158359566.db2.gz CMVMXLBJINTCSC-KGLIPLIRSA-N 1 3 319.440 2.199 20 0 DEADHO Cc1ccc(CN(CCN(C)C)C(=O)CC[NH2+]C(C)(C)C)o1 ZINC000386634167 685418545 /nfs/dbraw/zinc/41/85/45/685418545.db2.gz VILNAXIRRWJNOM-UHFFFAOYSA-N 1 3 309.454 2.256 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CCS(=O)(=O)CCN1[C@H](C)CC[C@@H]1C ZINC000123332879 684124070 /nfs/dbraw/zinc/12/40/70/684124070.db2.gz PPBILPSQMIUPOY-FPCVCCKLSA-N 1 3 316.511 2.147 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CCS(=O)(=O)CC[N@H+]1[C@H](C)CC[C@@H]1C ZINC000123332879 684124071 /nfs/dbraw/zinc/12/40/71/684124071.db2.gz PPBILPSQMIUPOY-FPCVCCKLSA-N 1 3 316.511 2.147 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CCS(=O)(=O)CC[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000123332879 684124073 /nfs/dbraw/zinc/12/40/73/684124073.db2.gz PPBILPSQMIUPOY-FPCVCCKLSA-N 1 3 316.511 2.147 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CCS(=O)(=O)CC[NH+]1[C@H](C)CC[C@H]1C ZINC000123332879 684124075 /nfs/dbraw/zinc/12/40/75/684124075.db2.gz PPBILPSQMIUPOY-FPCVCCKLSA-N 1 3 316.511 2.147 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)N(C)C ZINC000133934063 684224018 /nfs/dbraw/zinc/22/40/18/684224018.db2.gz LVJVDGLCAZETFG-BBWFWOEESA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)N(C)C ZINC000133934063 684224019 /nfs/dbraw/zinc/22/40/19/684224019.db2.gz LVJVDGLCAZETFG-BBWFWOEESA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H]1C[C@H](NC(=O)CCCCC[NH3+])CN1Cc1ccccc1 ZINC000155795422 684280356 /nfs/dbraw/zinc/28/03/56/684280356.db2.gz UYYZFQHCRTXEST-RDJZCZTQSA-N 1 3 303.450 2.285 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](CC3CC3)C2)C1)C1CC1 ZINC001054145181 693862153 /nfs/dbraw/zinc/86/21/53/693862153.db2.gz MBQHGNLIZDCKHB-MJGOQNOKSA-N 1 3 319.493 2.051 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CC3CC3)C2)C1)C1CC1 ZINC001054145181 693862156 /nfs/dbraw/zinc/86/21/56/693862156.db2.gz MBQHGNLIZDCKHB-MJGOQNOKSA-N 1 3 319.493 2.051 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N(C)C[C@@H](C)[NH3+])c1ccsc1 ZINC000861554306 686144389 /nfs/dbraw/zinc/14/43/89/686144389.db2.gz NZGGQOLKPRLART-TZMCWYRMSA-N 1 3 312.483 2.120 20 0 DEADHO C[C@@H]([NH3+])CN(C)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000861567108 686146613 /nfs/dbraw/zinc/14/66/13/686146613.db2.gz AUJGLLBBHDPETB-WBVHZDCISA-N 1 3 318.465 2.030 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@H]2CCNC23CCC3)C1 ZINC000863481448 686507720 /nfs/dbraw/zinc/50/77/20/686507720.db2.gz DNQWBHJHZZAJSG-AGIUHOORSA-N 1 3 316.392 2.228 20 0 DEADHO Cc1ccccc1CN1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001015998804 687494669 /nfs/dbraw/zinc/49/46/69/687494669.db2.gz QXNGUXSVMBVTTE-AEFFLSMTSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccccc1CN1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001015998804 687494670 /nfs/dbraw/zinc/49/46/70/687494670.db2.gz QXNGUXSVMBVTTE-AEFFLSMTSA-N 1 3 315.461 2.027 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H](C)CCc2cccnc2)CC1 ZINC000866231118 687502360 /nfs/dbraw/zinc/50/23/60/687502360.db2.gz PBRBUPZIVPVRON-QGZVFWFLSA-N 1 3 304.482 2.020 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CC(C)C)CC2 ZINC001016650718 687674484 /nfs/dbraw/zinc/67/44/84/687674484.db2.gz AWZPRFANHSQHAV-IAGOWNOFSA-N 1 3 321.509 2.488 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)C(C)C)C1 ZINC001017268346 687850266 /nfs/dbraw/zinc/85/02/66/687850266.db2.gz ZBEFMWOVENVXQB-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)C(C)C)C1 ZINC001017268346 687850269 /nfs/dbraw/zinc/85/02/69/687850269.db2.gz ZBEFMWOVENVXQB-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO C[N@@H+]1CCN(C(=O)Nc2ccc3c(c2)CNC3)CCC1(C)C ZINC000868167813 687933994 /nfs/dbraw/zinc/93/39/94/687933994.db2.gz MFCSRIYHLNKJMO-UHFFFAOYSA-N 1 3 302.422 2.238 20 0 DEADHO C[N@H+]1CCN(C(=O)Nc2ccc3c(c2)CNC3)CCC1(C)C ZINC000868167813 687933999 /nfs/dbraw/zinc/93/39/99/687933999.db2.gz MFCSRIYHLNKJMO-UHFFFAOYSA-N 1 3 302.422 2.238 20 0 DEADHO CC(C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1occc1CN(C)C ZINC001017855641 687972827 /nfs/dbraw/zinc/97/28/27/687972827.db2.gz AWDVNYGFIYHGLX-GASCZTMLSA-N 1 3 305.422 2.038 20 0 DEADHO CC(C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1occc1CN(C)C ZINC001017855641 687972833 /nfs/dbraw/zinc/97/28/33/687972833.db2.gz AWDVNYGFIYHGLX-GASCZTMLSA-N 1 3 305.422 2.038 20 0 DEADHO CCc1cccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](CC)N(C)C)C2)c1 ZINC001019033224 688273383 /nfs/dbraw/zinc/27/33/83/688273383.db2.gz FGAMTOFGDQZBGR-ZWKOTPCHSA-N 1 3 317.477 2.280 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2)C1)N(C)C ZINC001019033347 688273636 /nfs/dbraw/zinc/27/36/36/688273636.db2.gz KIXJRDWSTOPCTA-DLBZAZTESA-N 1 3 303.450 2.026 20 0 DEADHO CN1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CCC1(C)C ZINC000871156390 688738207 /nfs/dbraw/zinc/73/82/07/688738207.db2.gz YTBXWYKTLVERNM-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CN1CCN(CC[NH2+][C@@H]2CCOC3(CCCC3)C2)CC1(C)C ZINC000872069869 688921683 /nfs/dbraw/zinc/92/16/83/688921683.db2.gz VXNJRULEYDAQCD-MRXNPFEDSA-N 1 3 309.498 2.094 20 0 DEADHO COc1ccc(OC)c([C@H](O)[C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000872137891 688934674 /nfs/dbraw/zinc/93/46/74/688934674.db2.gz RLIHRTWQVKGPJF-WZTLGTBRSA-N 1 3 322.449 2.198 20 0 DEADHO COc1ccc(OC)c([C@H](O)[C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000872137891 688934678 /nfs/dbraw/zinc/93/46/78/688934678.db2.gz RLIHRTWQVKGPJF-WZTLGTBRSA-N 1 3 322.449 2.198 20 0 DEADHO CN(CC1CC1)C(=O)CN1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158917 688941589 /nfs/dbraw/zinc/94/15/89/688941589.db2.gz ZGUPYPHKGLXWDW-AEFFLSMTSA-N 1 3 321.509 2.474 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCC1C[NH+](CC(CC)CC)C1 ZINC001031714767 688984389 /nfs/dbraw/zinc/98/43/89/688984389.db2.gz MGPUASHQWZFKGG-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC(C)(C)C)N(C)C ZINC001032460384 689156036 /nfs/dbraw/zinc/15/60/36/689156036.db2.gz KFYXOOGHJHOJBO-JYJNAYRXSA-N 1 3 309.498 2.294 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC(C)(C)C)N(C)C ZINC001032460384 689156038 /nfs/dbraw/zinc/15/60/38/689156038.db2.gz KFYXOOGHJHOJBO-JYJNAYRXSA-N 1 3 309.498 2.294 20 0 DEADHO Cn1nnc2cc(CN3CC[C@](C[NH3+])(C(C)(C)C)C3)ccc21 ZINC000873223627 689187142 /nfs/dbraw/zinc/18/71/42/689187142.db2.gz QBYOTPQWHMGEPZ-QGZVFWFLSA-N 1 3 301.438 2.165 20 0 DEADHO CC(C)(C)[C@@]1(C[NH3+])CCN(Cc2ccccc2-n2cncn2)C1 ZINC000873223925 689187261 /nfs/dbraw/zinc/18/72/61/689187261.db2.gz UZDUPMWRBWIEAD-GOSISDBHSA-N 1 3 313.449 2.464 20 0 DEADHO CC(C)(C)[C@@]1(CN)CC[N@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000873222909 689187344 /nfs/dbraw/zinc/18/73/44/689187344.db2.gz DOUHAFAPCMCOTP-GOSISDBHSA-N 1 3 313.449 2.464 20 0 DEADHO CC(C)(C)[C@@]1(CN)CC[N@@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000873222909 689187348 /nfs/dbraw/zinc/18/73/48/689187348.db2.gz DOUHAFAPCMCOTP-GOSISDBHSA-N 1 3 313.449 2.464 20 0 DEADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001032588994 689195046 /nfs/dbraw/zinc/19/50/46/689195046.db2.gz UGROOHONLOTONE-QAETUUGQSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001032588994 689195048 /nfs/dbraw/zinc/19/50/48/689195048.db2.gz UGROOHONLOTONE-QAETUUGQSA-N 1 3 307.482 2.048 20 0 DEADHO C[C@H]1CC[NH2+]CC[C@H]1N[C@H]1C[C@H](C(=O)OCc2ccccc2)C1 ZINC000873274524 689199808 /nfs/dbraw/zinc/19/98/08/689199808.db2.gz VUYQGMQGYLAEPR-LEUOFYLZSA-N 1 3 316.445 2.486 20 0 DEADHO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCC2)C1 ZINC001032627636 689206395 /nfs/dbraw/zinc/20/63/95/689206395.db2.gz CVPILBNJQBAJDF-NJAFHUGGSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCC2)C1 ZINC001032627636 689206396 /nfs/dbraw/zinc/20/63/96/689206396.db2.gz CVPILBNJQBAJDF-NJAFHUGGSA-N 1 3 319.493 2.194 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCCC2)C1 ZINC001032782154 689259283 /nfs/dbraw/zinc/25/92/83/689259283.db2.gz WHYQKSOLWZXLQM-BZSNNMDCSA-N 1 3 319.493 2.194 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCCC2)C1 ZINC001032782154 689259287 /nfs/dbraw/zinc/25/92/87/689259287.db2.gz WHYQKSOLWZXLQM-BZSNNMDCSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001033070075 689375998 /nfs/dbraw/zinc/37/59/98/689375998.db2.gz NFYHATAFXJIYBZ-DLBZAZTESA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001033070075 689376001 /nfs/dbraw/zinc/37/60/01/689376001.db2.gz NFYHATAFXJIYBZ-DLBZAZTESA-N 1 3 309.498 2.438 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001033125711 689398335 /nfs/dbraw/zinc/39/83/35/689398335.db2.gz HDDCJHGTONUAGQ-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001033125711 689398339 /nfs/dbraw/zinc/39/83/39/689398339.db2.gz HDDCJHGTONUAGQ-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CN(C(=O)[C@H](C1CC1)N1CCCC1)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001033295782 689452366 /nfs/dbraw/zinc/45/23/66/689452366.db2.gz NLPCBMYHBQRFRK-ROUUACIJSA-N 1 3 319.493 2.194 20 0 DEADHO CN(C(=O)[C@H](C1CC1)N1CCCC1)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033295782 689452368 /nfs/dbraw/zinc/45/23/68/689452368.db2.gz NLPCBMYHBQRFRK-ROUUACIJSA-N 1 3 319.493 2.194 20 0 DEADHO CN1CCCC[C@H]1CC[NH+]1CCC(O)(Cc2ccccn2)CC1 ZINC000930982325 694287419 /nfs/dbraw/zinc/28/74/19/694287419.db2.gz NVVJJCRYZCCLMO-SFHVURJKSA-N 1 3 317.477 2.325 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)[C@H]2CC[N@H+](CC3=CCCCC3)C2)C1 ZINC001033421264 689494272 /nfs/dbraw/zinc/49/42/72/689494272.db2.gz WDVQNWLLSXIOHP-AEFFLSMTSA-N 1 3 319.493 2.361 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)[C@H]2CC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001033421264 689494275 /nfs/dbraw/zinc/49/42/75/689494275.db2.gz WDVQNWLLSXIOHP-AEFFLSMTSA-N 1 3 319.493 2.361 20 0 DEADHO CN(C)Cc1cccc(C(=O)N(C)[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC001033684987 689583372 /nfs/dbraw/zinc/58/33/72/689583372.db2.gz QWKUPEBDYCQUQP-SFHVURJKSA-N 1 3 315.461 2.305 20 0 DEADHO CN(C)Cc1cccc(C(=O)N(C)[C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC001033684987 689583374 /nfs/dbraw/zinc/58/33/74/689583374.db2.gz QWKUPEBDYCQUQP-SFHVURJKSA-N 1 3 315.461 2.305 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](C(C)C)C1 ZINC001034288029 689795772 /nfs/dbraw/zinc/79/57/72/689795772.db2.gz LJUQGIHRFRLMRP-SJORKVTESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](C(C)C)C1 ZINC001034288029 689795774 /nfs/dbraw/zinc/79/57/74/689795774.db2.gz LJUQGIHRFRLMRP-SJORKVTESA-N 1 3 309.498 2.486 20 0 DEADHO O=C(N[C@@H]1CCCC[N@H+](CC2CC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001034332345 689812803 /nfs/dbraw/zinc/81/28/03/689812803.db2.gz XXSACLSYZVVGHF-MSOLQXFVSA-N 1 3 319.493 2.242 20 0 DEADHO O=C(N[C@@H]1CCCC[N@@H+](CC2CC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001034332345 689812805 /nfs/dbraw/zinc/81/28/05/689812805.db2.gz XXSACLSYZVVGHF-MSOLQXFVSA-N 1 3 319.493 2.242 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CCCC[N@H+](CCCF)C1)N1CCCC1 ZINC001034339432 689814100 /nfs/dbraw/zinc/81/41/00/689814100.db2.gz FPTOUEKYSKPQMY-OAHLLOKOSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CCCC[N@@H+](CCCF)C1)N1CCCC1 ZINC001034339432 689814104 /nfs/dbraw/zinc/81/41/04/689814104.db2.gz FPTOUEKYSKPQMY-OAHLLOKOSA-N 1 3 313.461 2.191 20 0 DEADHO O=C(N1CCN(CC2CCCCC2)CC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876718544 689913775 /nfs/dbraw/zinc/91/37/75/689913775.db2.gz QDWJWBQEQBCMLU-MJGOQNOKSA-N 1 3 319.493 2.243 20 0 DEADHO CCN1CC[C@@H]([N@H+](C)Cc2cnc3c(cnn3C)c2)C[C@@H]1C ZINC000876757360 689927429 /nfs/dbraw/zinc/92/74/29/689927429.db2.gz CGJDXOZNPHETCF-XJKSGUPXSA-N 1 3 301.438 2.273 20 0 DEADHO CCN1CC[C@@H]([N@@H+](C)Cc2cnc3c(cnn3C)c2)C[C@@H]1C ZINC000876757360 689927434 /nfs/dbraw/zinc/92/74/34/689927434.db2.gz CGJDXOZNPHETCF-XJKSGUPXSA-N 1 3 301.438 2.273 20 0 DEADHO CCN1CC[C@@H]([N@H+](C)Cc2cnc3c(cnn3C)c2)C[C@H]1C ZINC000876757359 689927689 /nfs/dbraw/zinc/92/76/89/689927689.db2.gz CGJDXOZNPHETCF-CZUORRHYSA-N 1 3 301.438 2.273 20 0 DEADHO CCN1CC[C@@H]([N@@H+](C)Cc2cnc3c(cnn3C)c2)C[C@H]1C ZINC000876757359 689927691 /nfs/dbraw/zinc/92/76/91/689927691.db2.gz CGJDXOZNPHETCF-CZUORRHYSA-N 1 3 301.438 2.273 20 0 DEADHO CC1CCC(N2CCN(C(=O)/C=C/[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000876763768 689929150 /nfs/dbraw/zinc/92/91/50/689929150.db2.gz JAMJPVAEGBXDLW-WWKPLHAQSA-N 1 3 319.493 2.265 20 0 DEADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000876765789 689930228 /nfs/dbraw/zinc/93/02/28/689930228.db2.gz XUDPNHRHGKGJGG-KNSSVQPLSA-N 1 3 315.461 2.035 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1 ZINC001034787091 689947616 /nfs/dbraw/zinc/94/76/16/689947616.db2.gz XBGHUSQTMCXGOM-WKILWMFISA-N 1 3 318.465 2.468 20 0 DEADHO CC(C)CN(C(=O)/C=C\[C@H]1CCC[NH2+]C1)C1CCN(C)CC1 ZINC000876876749 689961650 /nfs/dbraw/zinc/96/16/50/689961650.db2.gz UJHKQCGLXDCIRA-MWWKQMNYSA-N 1 3 307.482 2.121 20 0 DEADHO COC(=O)c1cccc2c(CNC3CC[NH+](C)CC3)ccnc12 ZINC000876899451 689968053 /nfs/dbraw/zinc/96/80/53/689968053.db2.gz YPUUGULEJJIUQB-UHFFFAOYSA-N 1 3 313.401 2.205 20 0 DEADHO O=C1C[C@@H](NC2CC[NH+](CC3CCCCC3)CC2)CCCN1 ZINC000876993689 689993019 /nfs/dbraw/zinc/99/30/19/689993019.db2.gz NIFGEQYQDBZYET-KRWDZBQOSA-N 1 3 307.482 2.289 20 0 DEADHO O=C1C[C@@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CCCN1 ZINC000876993689 689993021 /nfs/dbraw/zinc/99/30/21/689993021.db2.gz NIFGEQYQDBZYET-KRWDZBQOSA-N 1 3 307.482 2.289 20 0 DEADHO CC(C)[NH2+]C[C@H]1CCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001035050143 690020985 /nfs/dbraw/zinc/02/09/85/690020985.db2.gz VVRUOEMRWNXXIU-PBHICJAKSA-N 1 3 313.461 2.188 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001035064630 690023955 /nfs/dbraw/zinc/02/39/55/690023955.db2.gz DPJQCFHULCUCMJ-MRXNPFEDSA-N 1 3 302.422 2.033 20 0 DEADHO O=C(CN1CCCC1)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001035125587 690034015 /nfs/dbraw/zinc/03/40/15/690034015.db2.gz JVFKTDDXWSKABR-QGZVFWFLSA-N 1 3 319.424 2.002 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)CC[NH2+]CC3CC3)C2)cc1 ZINC000877222363 690049333 /nfs/dbraw/zinc/04/93/33/690049333.db2.gz ZLSIBOWYRMLGMB-SFHVURJKSA-N 1 3 315.461 2.075 20 0 DEADHO [NH3+][C@@H](CCC(=O)NC[C@H]1Cc2ccccc2CN1)c1ccccc1 ZINC000877346719 690083974 /nfs/dbraw/zinc/08/39/74/690083974.db2.gz GQLSBEPLDKDFOF-MOPGFXCFSA-N 1 3 323.440 2.297 20 0 DEADHO CCCCCCN(C)CC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877361134 690089171 /nfs/dbraw/zinc/08/91/71/690089171.db2.gz QKCWCAWOCYFEIG-QWHCGFSZSA-N 1 3 323.403 2.094 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000877452891 690117495 /nfs/dbraw/zinc/11/74/95/690117495.db2.gz SVHRMWAZRJWTQL-DOTOQJQBSA-N 1 3 309.498 2.474 20 0 DEADHO COC(=O)c1cccc2c(C[N@H+](C)CCCN(C)C)ccnc12 ZINC000877523453 690140140 /nfs/dbraw/zinc/14/01/40/690140140.db2.gz ZTAZXHDJXLGYHD-UHFFFAOYSA-N 1 3 315.417 2.405 20 0 DEADHO COC(=O)c1cccc2c(C[N@@H+](C)CCCN(C)C)ccnc12 ZINC000877523453 690140141 /nfs/dbraw/zinc/14/01/41/690140141.db2.gz ZTAZXHDJXLGYHD-UHFFFAOYSA-N 1 3 315.417 2.405 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC2(C[NH+](CC3CCC3)C2)CC1)C1CC1 ZINC001035719975 690160285 /nfs/dbraw/zinc/16/02/85/690160285.db2.gz DKIIPKDJOBWBTH-KRWDZBQOSA-N 1 3 319.493 2.051 20 0 DEADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)CC2 ZINC001035795748 690178987 /nfs/dbraw/zinc/17/89/87/690178987.db2.gz YOCXKZRUJYLEII-IAGOWNOFSA-N 1 3 319.493 2.075 20 0 DEADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)CC2 ZINC001035795748 690178990 /nfs/dbraw/zinc/17/89/90/690178990.db2.gz YOCXKZRUJYLEII-IAGOWNOFSA-N 1 3 319.493 2.075 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC2(C[NH+](CCC3CC3)C2)CC1 ZINC001035798038 690179158 /nfs/dbraw/zinc/17/91/58/690179158.db2.gz KJLRCBXNWRKPAB-INIZCTEOSA-N 1 3 319.493 2.195 20 0 DEADHO CN1CC[NH+](C2CCN(Cc3ccc4c(c3)CCC4)CC2)CC1 ZINC000877747649 690214625 /nfs/dbraw/zinc/21/46/25/690214625.db2.gz WBYPBKSTBYBQGM-UHFFFAOYSA-N 1 3 313.489 2.387 20 0 DEADHO Cc1cnc(CC[NH+]2CCC(N3CCCOCC3)CC2)c(C)c1 ZINC000931286554 694356928 /nfs/dbraw/zinc/35/69/28/694356928.db2.gz UITWVBSIKDUSGB-UHFFFAOYSA-N 1 3 317.477 2.428 20 0 DEADHO CCC[NH+]1CCC(N(C)CCc2ccc(C(N)=O)cc2)CC1 ZINC000878164264 690332372 /nfs/dbraw/zinc/33/23/72/690332372.db2.gz DYZSKBKHAVBCGV-UHFFFAOYSA-N 1 3 303.450 2.134 20 0 DEADHO C[NH+]1CCC(NC(=O)CN[C@]2(C)CCCc3ccccc32)CC1 ZINC000878240302 690355026 /nfs/dbraw/zinc/35/50/26/690355026.db2.gz PJEVUMPGZIFTGM-LJQANCHMSA-N 1 3 315.461 2.038 20 0 DEADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H]1CCCC(C)(C)O1 ZINC000878311138 690375772 /nfs/dbraw/zinc/37/57/72/690375772.db2.gz BEVGNDAJMDKVQS-KRWDZBQOSA-N 1 3 311.514 2.292 20 0 DEADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H]1CCCC(C)(C)O1 ZINC000878311138 690375776 /nfs/dbraw/zinc/37/57/76/690375776.db2.gz BEVGNDAJMDKVQS-KRWDZBQOSA-N 1 3 311.514 2.292 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CC3CCC3)C2)CCC1 ZINC001036736349 690452365 /nfs/dbraw/zinc/45/23/65/690452365.db2.gz YSSOIUXPMSAWGQ-IRXDYDNUSA-N 1 3 319.493 2.194 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CC3CCC3)C2)CCC1 ZINC001036736349 690452369 /nfs/dbraw/zinc/45/23/69/690452369.db2.gz YSSOIUXPMSAWGQ-IRXDYDNUSA-N 1 3 319.493 2.194 20 0 DEADHO c1cc(N2CCCN(Cc3ccc4nonc4c3)CC2)cc[nH+]1 ZINC000878748250 690490543 /nfs/dbraw/zinc/49/05/43/690490543.db2.gz UCCWSCQOBZNYNE-UHFFFAOYSA-N 1 3 309.373 2.330 20 0 DEADHO CC[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1[NH2+]CC1CC1 ZINC001037928429 690642647 /nfs/dbraw/zinc/64/26/47/690642647.db2.gz UIOVEXKCTQEIGK-DLBZAZTESA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1[NH2+]CC1CC1 ZINC001037928431 690642752 /nfs/dbraw/zinc/64/27/52/690642752.db2.gz UIOVEXKCTQEIGK-IRXDYDNUSA-N 1 3 321.509 2.345 20 0 DEADHO O=C(NC[C@@H]1CCN1CC1CCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001038353409 690793362 /nfs/dbraw/zinc/79/33/62/690793362.db2.gz NBKMEBRTCCHAPZ-ROUUACIJSA-N 1 3 319.493 2.384 20 0 DEADHO O=C(NC[C@@H]1CCN1CC1CCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001038353409 690793363 /nfs/dbraw/zinc/79/33/63/690793363.db2.gz NBKMEBRTCCHAPZ-ROUUACIJSA-N 1 3 319.493 2.384 20 0 DEADHO COCCSCCCN1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261901 690854558 /nfs/dbraw/zinc/85/45/58/690854558.db2.gz ZVHITGBYBDKVQG-OAHLLOKOSA-N 1 3 309.479 2.362 20 0 DEADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCN2CCC2CCCC2)CC[N@@H+]1C ZINC001038628254 690881018 /nfs/dbraw/zinc/88/10/18/690881018.db2.gz AIPAKPXAJCVSPD-RYQLBKOJSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCN2CCC2CCCC2)CC[N@H+]1C ZINC001038628254 690881020 /nfs/dbraw/zinc/88/10/20/690881020.db2.gz AIPAKPXAJCVSPD-RYQLBKOJSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)Oc1cccc(CN2CCC(O)(C[NH+](C)C)CC2)c1 ZINC000931486051 694409427 /nfs/dbraw/zinc/40/94/27/694409427.db2.gz LYSVXACZSZQRMZ-UHFFFAOYSA-N 1 3 306.450 2.362 20 0 DEADHO C[NH+](C)CC1(O)CCN(Cc2ccc(OC(F)F)cc2)CC1 ZINC000931483750 694409600 /nfs/dbraw/zinc/40/96/00/694409600.db2.gz GBDVJCNDABJIEE-UHFFFAOYSA-N 1 3 314.376 2.177 20 0 DEADHO Cc1ccc(OCCCN2CCC(O)(C[NH+](C)C)CC2)cc1C ZINC000931486819 694410134 /nfs/dbraw/zinc/41/01/34/694410134.db2.gz XMIHOSIFDKYRPJ-UHFFFAOYSA-N 1 3 320.477 2.461 20 0 DEADHO CC(C)N(C)C[C@H](O)C[N@H+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC000880554099 690925939 /nfs/dbraw/zinc/92/59/39/690925939.db2.gz SAQHMTPVOBEKHR-ROUUACIJSA-N 1 3 317.477 2.172 20 0 DEADHO CC(C)N(C)C[C@H](O)C[N@@H+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC000880554099 690925943 /nfs/dbraw/zinc/92/59/43/690925943.db2.gz SAQHMTPVOBEKHR-ROUUACIJSA-N 1 3 317.477 2.172 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCN2CCC2CCCCCC2)C1 ZINC001039028850 690998197 /nfs/dbraw/zinc/99/81/97/690998197.db2.gz RTGAHUMFSQOFOR-QZTJIDSGSA-N 1 3 321.509 2.489 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCN2CCC2CCCCCC2)C1 ZINC001039028850 690998200 /nfs/dbraw/zinc/99/82/00/690998200.db2.gz RTGAHUMFSQOFOR-QZTJIDSGSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001039112360 691022411 /nfs/dbraw/zinc/02/24/11/691022411.db2.gz FFGHHZRHNMETJL-IRXDYDNUSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001039112360 691022413 /nfs/dbraw/zinc/02/24/13/691022413.db2.gz FFGHHZRHNMETJL-IRXDYDNUSA-N 1 3 307.482 2.050 20 0 DEADHO CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001039159289 691035341 /nfs/dbraw/zinc/03/53/41/691035341.db2.gz JEINNOAOXFNLFU-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001039159289 691035344 /nfs/dbraw/zinc/03/53/44/691035344.db2.gz JEINNOAOXFNLFU-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039173422 691039341 /nfs/dbraw/zinc/03/93/41/691039341.db2.gz WENHWVGEUKRPIK-KRWDZBQOSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039173422 691039345 /nfs/dbraw/zinc/03/93/45/691039345.db2.gz WENHWVGEUKRPIK-KRWDZBQOSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039240074 691064515 /nfs/dbraw/zinc/06/45/15/691064515.db2.gz WGDAEMKXZPODTC-GDBMZVCRSA-N 1 3 304.438 2.064 20 0 DEADHO CC(C)[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039240074 691064517 /nfs/dbraw/zinc/06/45/17/691064517.db2.gz WGDAEMKXZPODTC-GDBMZVCRSA-N 1 3 304.438 2.064 20 0 DEADHO CC(C)=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001039377361 691091992 /nfs/dbraw/zinc/09/19/92/691091992.db2.gz UDDLADZFKZGRMW-ZJPYXAASSA-N 1 3 319.493 2.358 20 0 DEADHO CC(C)=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001039377361 691091995 /nfs/dbraw/zinc/09/19/95/691091995.db2.gz UDDLADZFKZGRMW-ZJPYXAASSA-N 1 3 319.493 2.358 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040421971 691245186 /nfs/dbraw/zinc/24/51/86/691245186.db2.gz IJOIUHIXAPBXBI-SFHVURJKSA-N 1 3 318.465 2.313 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040421971 691245190 /nfs/dbraw/zinc/24/51/90/691245190.db2.gz IJOIUHIXAPBXBI-SFHVURJKSA-N 1 3 318.465 2.313 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@]2(C1)CCC[N@H+](CC1CCC1)C2 ZINC001040421984 691245700 /nfs/dbraw/zinc/24/57/00/691245700.db2.gz IOIPIGJTHXBZLX-GOSISDBHSA-N 1 3 316.449 2.067 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@]2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC001040421984 691245705 /nfs/dbraw/zinc/24/57/05/691245705.db2.gz IOIPIGJTHXBZLX-GOSISDBHSA-N 1 3 316.449 2.067 20 0 DEADHO CCCC[NH+]1CCC2(CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001040870137 691294166 /nfs/dbraw/zinc/29/41/66/691294166.db2.gz VILYJBRBXCHSTC-UHFFFAOYSA-N 1 3 304.438 2.067 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001040870634 691294463 /nfs/dbraw/zinc/29/44/63/691294463.db2.gz WECRDKHXSDIKPX-OAHLLOKOSA-N 1 3 318.465 2.313 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@]3(CC[N@H+](CC4CCC4)C3)C2)CCC1 ZINC001041353084 691365591 /nfs/dbraw/zinc/36/55/91/691365591.db2.gz FSQMWGYOYMJLLH-GOSISDBHSA-N 1 3 319.493 2.195 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@]3(CC[N@@H+](CC4CCC4)C3)C2)CCC1 ZINC001041353084 691365596 /nfs/dbraw/zinc/36/55/96/691365596.db2.gz FSQMWGYOYMJLLH-GOSISDBHSA-N 1 3 319.493 2.195 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CCC3CC3)C2)C1)C1CC1 ZINC001041359131 691367006 /nfs/dbraw/zinc/36/70/06/691367006.db2.gz SCEMBPMVACSHNZ-IEBWSBKVSA-N 1 3 319.493 2.051 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1)C1CC1 ZINC001041359131 691367009 /nfs/dbraw/zinc/36/70/09/691367009.db2.gz SCEMBPMVACSHNZ-IEBWSBKVSA-N 1 3 319.493 2.051 20 0 DEADHO CCCC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001041672337 691407586 /nfs/dbraw/zinc/40/75/86/691407586.db2.gz BGCPTVDKCIFNLF-WMZOPIPTSA-N 1 3 307.482 2.195 20 0 DEADHO CCCC[N@H+]1CC[C@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001041672337 691407588 /nfs/dbraw/zinc/40/75/88/691407588.db2.gz BGCPTVDKCIFNLF-WMZOPIPTSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@]3(CC[N@H+](CC4CCC4)C3)C2)C1 ZINC001041678948 691409780 /nfs/dbraw/zinc/40/97/80/691409780.db2.gz KBUTZZHKPMJCBB-APWZRJJASA-N 1 3 319.493 2.053 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@]3(CC[N@@H+](CC4CCC4)C3)C2)C1 ZINC001041678948 691409782 /nfs/dbraw/zinc/40/97/82/691409782.db2.gz KBUTZZHKPMJCBB-APWZRJJASA-N 1 3 319.493 2.053 20 0 DEADHO CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001041724057 691417357 /nfs/dbraw/zinc/41/73/57/691417357.db2.gz NIAHZWFRAGQPAB-AEFFLSMTSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001041724057 691417360 /nfs/dbraw/zinc/41/73/60/691417360.db2.gz NIAHZWFRAGQPAB-AEFFLSMTSA-N 1 3 307.482 2.194 20 0 DEADHO CC[NH+](CC)CC[C@H](CO)N[C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000883160658 691444303 /nfs/dbraw/zinc/44/43/03/691444303.db2.gz XDJALIFTKCFJAG-OAGGEKHMSA-N 1 3 300.487 2.263 20 0 DEADHO CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001041845235 691444456 /nfs/dbraw/zinc/44/44/56/691444456.db2.gz VYQXKMRQVSFOMZ-IBGZPJMESA-N 1 3 315.461 2.306 20 0 DEADHO CC[N@H+]1CC[C@]2(CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001041845235 691444459 /nfs/dbraw/zinc/44/44/59/691444459.db2.gz VYQXKMRQVSFOMZ-IBGZPJMESA-N 1 3 315.461 2.306 20 0 DEADHO NCc1cn([C@@H]2CCC[N@H+](CC[C@@H]3CCCC3(F)F)C2)nn1 ZINC000883432168 691508143 /nfs/dbraw/zinc/50/81/43/691508143.db2.gz LVTLDNSBVSZDMJ-GXTWGEPZSA-N 1 3 313.396 2.199 20 0 DEADHO NCc1cn([C@@H]2CCC[N@@H+](CC[C@@H]3CCCC3(F)F)C2)nn1 ZINC000883432168 691508144 /nfs/dbraw/zinc/50/81/44/691508144.db2.gz LVTLDNSBVSZDMJ-GXTWGEPZSA-N 1 3 313.396 2.199 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@H]21 ZINC001042313619 691566740 /nfs/dbraw/zinc/56/67/40/691566740.db2.gz JNJDHKABDCMMGW-CABCVRRESA-N 1 3 318.465 2.266 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@H]21 ZINC001042313619 691566744 /nfs/dbraw/zinc/56/67/44/691566744.db2.gz JNJDHKABDCMMGW-CABCVRRESA-N 1 3 318.465 2.266 20 0 DEADHO [NH3+][C@H](CC1CC1)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000884178914 691675885 /nfs/dbraw/zinc/67/58/85/691675885.db2.gz YKUYHUDBNPSMSK-ZIAGYGMSSA-N 1 3 307.463 2.129 20 0 DEADHO COCC[C@H](N)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000884186419 691677476 /nfs/dbraw/zinc/67/74/76/691677476.db2.gz ZHYKKBZHZKVYCT-KRWDZBQOSA-N 1 3 319.449 2.221 20 0 DEADHO CC[C@H](CNC(=O)[C@H]([NH3+])CC1CC1)N1CCc2ccccc2C1 ZINC000884188903 691677821 /nfs/dbraw/zinc/67/78/21/691677821.db2.gz RSUACOUYMBGYIV-QZTJIDSGSA-N 1 3 315.461 2.067 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2C[NH2+]CC2CCCC2)C1 ZINC001045199812 691951151 /nfs/dbraw/zinc/95/11/51/691951151.db2.gz JBIKINSRCXYQGG-RDJZCZTQSA-N 1 3 307.482 2.099 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1)N(C)C ZINC001045204997 691951354 /nfs/dbraw/zinc/95/13/54/691951354.db2.gz AQCNIIHWIFHSDY-IRXDYDNUSA-N 1 3 303.450 2.107 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCCC2)cc1 ZINC001045310519 691961634 /nfs/dbraw/zinc/96/16/34/691961634.db2.gz OFBQBHRRHDPQAN-SFHVURJKSA-N 1 3 315.461 2.171 20 0 DEADHO Cc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCCC2)cs1 ZINC001045312303 691962278 /nfs/dbraw/zinc/96/22/78/691962278.db2.gz ZHMSNGKASNVQCZ-INIZCTEOSA-N 1 3 321.490 2.233 20 0 DEADHO C[N@H+](C[C@H]1CCN(Cc2ccccc2)C1)C[C@@](C)(O)C(F)F ZINC000886028845 691987353 /nfs/dbraw/zinc/98/73/53/691987353.db2.gz YTXSONKMEIQWET-NVXWUHKLSA-N 1 3 312.404 2.456 20 0 DEADHO C[N@@H+](C[C@H]1CCN(Cc2ccccc2)C1)C[C@@](C)(O)C(F)F ZINC000886028845 691987358 /nfs/dbraw/zinc/98/73/58/691987358.db2.gz YTXSONKMEIQWET-NVXWUHKLSA-N 1 3 312.404 2.456 20 0 DEADHO CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001045942881 692059051 /nfs/dbraw/zinc/05/90/51/692059051.db2.gz BXHZRKLQQWCTOD-MJGOQNOKSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001045942881 692059055 /nfs/dbraw/zinc/05/90/55/692059055.db2.gz BXHZRKLQQWCTOD-MJGOQNOKSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)O2 ZINC000886336122 692060393 /nfs/dbraw/zinc/06/03/93/692060393.db2.gz MYEQVPNYXDLJEF-QYXWGXCQSA-N 1 3 310.482 2.421 20 0 DEADHO C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)O2 ZINC000886336122 692060396 /nfs/dbraw/zinc/06/03/96/692060396.db2.gz MYEQVPNYXDLJEF-QYXWGXCQSA-N 1 3 310.482 2.421 20 0 DEADHO CCC[NH+]1CCC(NC[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)CC1 ZINC000886771620 692188272 /nfs/dbraw/zinc/18/82/72/692188272.db2.gz KZHPCEZBUXFKLG-XYVMCAHJSA-N 1 3 310.482 2.423 20 0 DEADHO CC(C)[N@@H+]1CC[C@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001046854581 692317830 /nfs/dbraw/zinc/31/78/30/692317830.db2.gz LCVBUHPJZJTHHP-SFHVURJKSA-N 1 3 303.450 2.351 20 0 DEADHO CC(C)[N@H+]1CC[C@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001046854581 692317834 /nfs/dbraw/zinc/31/78/34/692317834.db2.gz LCVBUHPJZJTHHP-SFHVURJKSA-N 1 3 303.450 2.351 20 0 DEADHO C[C@H]([NH2+]CC1CCCC1)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047864268 692502629 /nfs/dbraw/zinc/50/26/29/692502629.db2.gz LNDXVPYBYIYXLH-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO CCC(CC)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C1 ZINC001048864111 692712785 /nfs/dbraw/zinc/71/27/85/692712785.db2.gz RXMWGGCBGPSGNG-FGTMMUONSA-N 1 3 321.509 2.153 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C1 ZINC001048864111 692712788 /nfs/dbraw/zinc/71/27/88/692712788.db2.gz RXMWGGCBGPSGNG-FGTMMUONSA-N 1 3 321.509 2.153 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2C1 ZINC001049097473 692762945 /nfs/dbraw/zinc/76/29/45/692762945.db2.gz MCQJIAWQXKEMOO-KSZLIROESA-N 1 3 319.493 2.050 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@@H]2C1 ZINC001049097473 692762949 /nfs/dbraw/zinc/76/29/49/692762949.db2.gz MCQJIAWQXKEMOO-KSZLIROESA-N 1 3 319.493 2.050 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CC1)N(C)C ZINC001049706472 692970198 /nfs/dbraw/zinc/97/01/98/692970198.db2.gz ZGWGWJGRWNFNJJ-IXDOHACOSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CC1)N(C)C ZINC001049706472 692970199 /nfs/dbraw/zinc/97/01/99/692970199.db2.gz ZGWGWJGRWNFNJJ-IXDOHACOSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CC1)N(C)C ZINC001049706468 692970263 /nfs/dbraw/zinc/97/02/63/692970263.db2.gz ZGWGWJGRWNFNJJ-BRWVUGGUSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CC1)N(C)C ZINC001049706468 692970266 /nfs/dbraw/zinc/97/02/66/692970266.db2.gz ZGWGWJGRWNFNJJ-BRWVUGGUSA-N 1 3 307.482 2.048 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049845638 693019862 /nfs/dbraw/zinc/01/98/62/693019862.db2.gz BDYLEXWHEWUXMM-ZIAGYGMSSA-N 1 3 304.438 2.163 20 0 DEADHO CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049845638 693019867 /nfs/dbraw/zinc/01/98/67/693019867.db2.gz BDYLEXWHEWUXMM-ZIAGYGMSSA-N 1 3 304.438 2.163 20 0 DEADHO CCN1CC[C@H](C[NH2+][C@H](C)[C@@H](NC(C)=O)c2ccccc2F)C1 ZINC000924708414 693175030 /nfs/dbraw/zinc/17/50/30/693175030.db2.gz YEXMVXGXUJMFNR-DDUZABMNSA-N 1 3 321.440 2.323 20 0 DEADHO COCCCN1CCC([NH2+][C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000924913050 693200776 /nfs/dbraw/zinc/20/07/76/693200776.db2.gz UDWSQRYTBNDWRH-QZTJIDSGSA-N 1 3 309.498 2.094 20 0 DEADHO CC[C@H](C)C[NH+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001050546950 693205138 /nfs/dbraw/zinc/20/51/38/693205138.db2.gz VIPFEWSZLMEWNB-INIZCTEOSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[NH+]1CCC2(CN(C(=O)CN3[C@H](C)CC[C@H]3C)C2)CC1 ZINC001050766192 693246824 /nfs/dbraw/zinc/24/68/24/693246824.db2.gz KVLQZMAZWJPARA-HZPDHXFCSA-N 1 3 307.482 2.192 20 0 DEADHO C[C@@H]1CC2(CC([NH2+]CCCCN3C[C@@H](C)O[C@H](C)C3)C2)CO1 ZINC000925440500 693273418 /nfs/dbraw/zinc/27/34/18/693273418.db2.gz SNDPKDLYQWKIAC-UZROPOIGSA-N 1 3 310.482 2.423 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000925491732 693281786 /nfs/dbraw/zinc/28/17/86/693281786.db2.gz FZCHXHXQMONCTM-OCTMDKCWSA-N 1 3 311.473 2.408 20 0 DEADHO CC(=O)N1CCC(C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925499996 693283573 /nfs/dbraw/zinc/28/35/73/693283573.db2.gz WAVHSMXEEDPJGF-ZWKOTPCHSA-N 1 3 307.482 2.003 20 0 DEADHO O[C@H](CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)COc1ccccc1 ZINC000925534104 693290845 /nfs/dbraw/zinc/29/08/45/693290845.db2.gz SCHYDYLHEGGSQG-NEWSRXKRSA-N 1 3 318.461 2.184 20 0 DEADHO [NH3+]CCC[C@@H](NCc1ccc(-n2cncn2)nc1)c1ccccc1 ZINC000925551214 693295008 /nfs/dbraw/zinc/29/50/08/693295008.db2.gz AUIJKEPBVMTNDL-QGZVFWFLSA-N 1 3 322.416 2.232 20 0 DEADHO COc1ccccc1N1CC[C@H](N[C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925554228 693295933 /nfs/dbraw/zinc/29/59/33/693295933.db2.gz ZWXYERNWJZKLJB-JQFCIGGWSA-N 1 3 301.434 2.133 20 0 DEADHO O=C(NCCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)c1ccccc1 ZINC000925571566 693299901 /nfs/dbraw/zinc/29/99/01/693299901.db2.gz DYZPZLHMHIRPFY-ROUUACIJSA-N 1 3 315.461 2.174 20 0 DEADHO O=C(NCCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1ccccc1 ZINC000925571565 693300029 /nfs/dbraw/zinc/30/00/29/693300029.db2.gz DYZPZLHMHIRPFY-QZTJIDSGSA-N 1 3 315.461 2.174 20 0 DEADHO C[C@@H](c1ccncc1)N1CCC(N[C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925607409 693308124 /nfs/dbraw/zinc/30/81/24/693308124.db2.gz PIEIPLRKWFPJOL-YOEHRIQHSA-N 1 3 302.466 2.337 20 0 DEADHO Cc1cc(N2CCC([NH2+][C@@H]3[C@@H]4CCCN[C@@H]4C3(C)C)CC2)n[nH]1 ZINC000925646564 693315773 /nfs/dbraw/zinc/31/57/73/693315773.db2.gz ZCGSFYNLRIRZKY-HYVNUMGLSA-N 1 3 317.481 2.053 20 0 DEADHO Cn1ccnc1[C@@H]1C[C@@H]([NH2+][C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CCO1 ZINC000925686337 693324183 /nfs/dbraw/zinc/32/41/83/693324183.db2.gz UFRSTSDFHHBFRZ-QRJUGERDSA-N 1 3 318.465 2.006 20 0 DEADHO Cn1ccnc1[C@@H]1C[C@@H](N[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCO1 ZINC000925686337 693324189 /nfs/dbraw/zinc/32/41/89/693324189.db2.gz UFRSTSDFHHBFRZ-QRJUGERDSA-N 1 3 318.465 2.006 20 0 DEADHO Cn1nccc1[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CCO1 ZINC000925689978 693325454 /nfs/dbraw/zinc/32/54/54/693325454.db2.gz IYDWELIJLZKLRX-WLGNDBIMSA-N 1 3 318.465 2.006 20 0 DEADHO Cn1nccc1[C@@H]1C[C@H](N[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCO1 ZINC000925689978 693325458 /nfs/dbraw/zinc/32/54/58/693325458.db2.gz IYDWELIJLZKLRX-WLGNDBIMSA-N 1 3 318.465 2.006 20 0 DEADHO CC1(C)[C@@H](NC[C@@H]2CCC3(CCOCC3)CO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925735819 693332198 /nfs/dbraw/zinc/33/21/98/693332198.db2.gz IOYWHHMTUQRUIH-YVSFHVDLSA-N 1 3 322.493 2.328 20 0 DEADHO C[C@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc(F)c1 ZINC000925854068 693354498 /nfs/dbraw/zinc/35/44/98/693354498.db2.gz KBUSZGQYYGEQBM-WFASDCNBSA-N 1 3 306.381 2.162 20 0 DEADHO Cn1cc([C@@H](NC[C@@H]2CC[C@H]([NH3+])C2)c2cccc(F)c2)cn1 ZINC000925875871 693358135 /nfs/dbraw/zinc/35/81/35/693358135.db2.gz OKXCTYGUZNFKOT-DQYPLSBCSA-N 1 3 302.397 2.366 20 0 DEADHO Cn1cc([C@H](NC[C@@H]2CC[C@H]([NH3+])C2)c2cccc(F)c2)cn1 ZINC000925875872 693358189 /nfs/dbraw/zinc/35/81/89/693358189.db2.gz OKXCTYGUZNFKOT-OAUYIBNBSA-N 1 3 302.397 2.366 20 0 DEADHO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@H]2CCCCN(C)C2)cn1 ZINC000926752527 693504039 /nfs/dbraw/zinc/50/40/39/693504039.db2.gz AINHTAPLENRGBR-BPQIPLTHSA-N 1 3 304.482 2.453 20 0 DEADHO CC(C)CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001402424801 1162352209 /nfs/dbraw/zinc/35/22/09/1162352209.db2.gz UOXHOPMQEUUZBA-FGTMMUONSA-N 1 3 323.525 2.399 20 0 DEADHO CC(C)CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001402424801 1162352212 /nfs/dbraw/zinc/35/22/12/1162352212.db2.gz UOXHOPMQEUUZBA-FGTMMUONSA-N 1 3 323.525 2.399 20 0 DEADHO CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C2 ZINC001402439701 1162355639 /nfs/dbraw/zinc/35/56/39/1162355639.db2.gz MAICWDRXABPCFN-FJIDUMEYSA-N 1 3 321.509 2.488 20 0 DEADHO CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C2 ZINC001402439701 1162355642 /nfs/dbraw/zinc/35/56/42/1162355642.db2.gz MAICWDRXABPCFN-FJIDUMEYSA-N 1 3 321.509 2.488 20 0 DEADHO CC[NH+](CC)Cc1cccc(CNC(=O)Cc2nc[nH]c2C)c1 ZINC001361660284 1152705452 /nfs/dbraw/zinc/70/54/52/1152705452.db2.gz QWUVQQHXFYVTHS-UHFFFAOYSA-N 1 3 314.433 2.419 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@@H+](C[C@H](F)CC)C2)C1 ZINC001380208640 1152768743 /nfs/dbraw/zinc/76/87/43/1152768743.db2.gz YPEFDHYQJFEYCI-NVXWUHKLSA-N 1 3 313.461 2.001 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@H+](C[C@H](F)CC)C2)C1 ZINC001380208640 1152768740 /nfs/dbraw/zinc/76/87/40/1152768740.db2.gz YPEFDHYQJFEYCI-NVXWUHKLSA-N 1 3 313.461 2.001 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+]CC2CC(C)C2)C1 ZINC001380423201 1152809973 /nfs/dbraw/zinc/80/99/73/1152809973.db2.gz LSTWEXLQBATTDK-HTWSVDAQSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cccc(CC[NH+](C)C)c1 ZINC001362124163 1152829102 /nfs/dbraw/zinc/82/91/02/1152829102.db2.gz GMSIQPNVEAMVGF-RDTXWAMCSA-N 1 3 315.461 2.003 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CCC1CC1 ZINC001381590423 1153143634 /nfs/dbraw/zinc/14/36/34/1153143634.db2.gz PKRDNLKXSJASED-RDJZCZTQSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CCC1CC1 ZINC001381590423 1153143638 /nfs/dbraw/zinc/14/36/38/1153143638.db2.gz PKRDNLKXSJASED-RDJZCZTQSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H](C(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2)N1CCCCCC1 ZINC001363137462 1153238692 /nfs/dbraw/zinc/23/86/92/1153238692.db2.gz BRAHCRKKAQYWGR-OAGGEKHMSA-N 1 3 307.482 2.240 20 0 DEADHO CC[C@@H](F)C[N@H+](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001381990767 1153308518 /nfs/dbraw/zinc/30/85/18/1153308518.db2.gz YKCTZQJXGQMNOJ-GDBMZVCRSA-N 1 3 315.477 2.244 20 0 DEADHO CC[C@@H](F)C[N@@H+](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001381990767 1153308525 /nfs/dbraw/zinc/30/85/25/1153308525.db2.gz YKCTZQJXGQMNOJ-GDBMZVCRSA-N 1 3 315.477 2.244 20 0 DEADHO Cc1cccc(C[NH2+][C@H](C)CN(C)C(=O)CN2CC[C@H](C)C2)c1 ZINC001382129679 1153370224 /nfs/dbraw/zinc/37/02/24/1153370224.db2.gz VURTVGNYPVJENU-DLBZAZTESA-N 1 3 317.477 2.273 20 0 DEADHO CNc1ccccc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC001363435493 1153400495 /nfs/dbraw/zinc/40/04/95/1153400495.db2.gz YTWRSBUSJGHFPN-LPHOPBHVSA-N 1 3 316.493 2.186 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C1CC([NH2+]CC2CCCC2)C1)N(C)C ZINC001382579679 1153475233 /nfs/dbraw/zinc/47/52/33/1153475233.db2.gz BQXWIDRHYADPRY-OFLPRAFFSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)[C@H](C(=O)NC1CC(C[NH2+]CC2CCCC2)C1)N(C)C ZINC001402945778 1162561595 /nfs/dbraw/zinc/56/15/95/1162561595.db2.gz KNXWAJDYXCOLNM-OFLPRAFFSA-N 1 3 309.498 2.247 20 0 DEADHO CCc1ccc(C[NH2+][C@@H](C)CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001403011279 1162624033 /nfs/dbraw/zinc/62/40/33/1162624033.db2.gz UQRGIPWPNLJJGL-HOTGVXAUSA-N 1 3 317.477 2.185 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001403015846 1162628039 /nfs/dbraw/zinc/62/80/39/1162628039.db2.gz PDNNUIVFHKXKNG-HOTGVXAUSA-N 1 3 305.466 2.320 20 0 DEADHO Cc1cc(C[NH2+][C@@H](C)CNC(=O)C2(N(C)C)CCC2)cs1 ZINC001403023146 1162634231 /nfs/dbraw/zinc/63/42/31/1162634231.db2.gz HXGILTNCBQWTMA-LBPRGKRZSA-N 1 3 309.479 2.135 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCc1ccccc1 ZINC001403032576 1162642682 /nfs/dbraw/zinc/64/26/82/1162642682.db2.gz JAZZFJRMWHCKSI-CVEARBPZSA-N 1 3 305.466 2.052 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CCCC2CCC2)C1)N(C)C ZINC001389514980 1155358902 /nfs/dbraw/zinc/35/89/02/1155358902.db2.gz SECRLEKOJPNOHJ-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](CCCC2CCC2)C1)N(C)C ZINC001389514980 1155358906 /nfs/dbraw/zinc/35/89/06/1155358906.db2.gz SECRLEKOJPNOHJ-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H](NCc2ccns2)C1)[NH+](CC)CC ZINC001389887673 1155463207 /nfs/dbraw/zinc/46/32/07/1155463207.db2.gz QZGSCKNGCZNWCW-YDHLFZDLSA-N 1 3 324.494 2.000 20 0 DEADHO CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001389908898 1155468997 /nfs/dbraw/zinc/46/89/97/1155468997.db2.gz QQPQJBXUBCGEGF-ULQDDVLXSA-N 1 3 321.440 2.347 20 0 DEADHO CCc1cccc(C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001390394460 1155698210 /nfs/dbraw/zinc/69/82/10/1155698210.db2.gz HPDUKULBJPIJAO-YJBOKZPZSA-N 1 3 319.493 2.430 20 0 DEADHO C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)NCc1cncs1 ZINC001371382191 1155839606 /nfs/dbraw/zinc/83/96/06/1155839606.db2.gz HUGBWSYWABOKJR-KBPBESRZSA-N 1 3 324.494 2.002 20 0 DEADHO CC(C)c1ccccc1CN(C)CCNC(=O)CC[NH+](C)C ZINC001390814261 1155880221 /nfs/dbraw/zinc/88/02/21/1155880221.db2.gz XKUYWCYHFGHXBY-UHFFFAOYSA-N 1 3 305.466 2.310 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](C)[C@H]1CCc2ccccc21)N(C)C ZINC001390847309 1155890478 /nfs/dbraw/zinc/89/04/78/1155890478.db2.gz NAMBFGUGVVAJHE-IRXDYDNUSA-N 1 3 303.450 2.062 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](C)[C@H]1CCc2ccccc21)N(C)C ZINC001390847309 1155890479 /nfs/dbraw/zinc/89/04/79/1155890479.db2.gz NAMBFGUGVVAJHE-IRXDYDNUSA-N 1 3 303.450 2.062 20 0 DEADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+]Cc1cccc(F)c1 ZINC001371768785 1156007684 /nfs/dbraw/zinc/00/76/84/1156007684.db2.gz HXDOBKCAGVIJMO-AWEZNQCLSA-N 1 3 321.440 2.294 20 0 DEADHO C[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC2CCC2)C1)N1CCCCCC1 ZINC001391099274 1156110531 /nfs/dbraw/zinc/11/05/31/1156110531.db2.gz UKCUOZHTAFSNNP-WMZOPIPTSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CC2CCC2)C1)N1CCCCCC1 ZINC001391099274 1156110554 /nfs/dbraw/zinc/11/05/54/1156110554.db2.gz UKCUOZHTAFSNNP-WMZOPIPTSA-N 1 3 321.509 2.489 20 0 DEADHO CN(CC(=O)NC[C@@H]1CC[N@H+](CCC2CC2)C1)CC(C)(C)C ZINC001391103380 1156116528 /nfs/dbraw/zinc/11/65/28/1156116528.db2.gz SCSQPNTXOINKST-INIZCTEOSA-N 1 3 309.498 2.203 20 0 DEADHO CN(CC(=O)NC[C@@H]1CC[N@@H+](CCC2CC2)C1)CC(C)(C)C ZINC001391103380 1156116534 /nfs/dbraw/zinc/11/65/34/1156116534.db2.gz SCSQPNTXOINKST-INIZCTEOSA-N 1 3 309.498 2.203 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN(Cc2cccc(F)c2)C1 ZINC001391114309 1156127126 /nfs/dbraw/zinc/12/71/26/1156127126.db2.gz RGMIFQPFDMBZAA-MRXNPFEDSA-N 1 3 321.440 2.106 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN(Cc2cccc(F)c2)C1 ZINC001391114309 1156127135 /nfs/dbraw/zinc/12/71/35/1156127135.db2.gz RGMIFQPFDMBZAA-MRXNPFEDSA-N 1 3 321.440 2.106 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC)c1ccccc1 ZINC001391263394 1156296178 /nfs/dbraw/zinc/29/61/78/1156296178.db2.gz LIZSOOXEZYXUMC-IAGOWNOFSA-N 1 3 303.450 2.328 20 0 DEADHO CCCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)[C@H]1CCN(CC)C1 ZINC001391275214 1156305997 /nfs/dbraw/zinc/30/59/97/1156305997.db2.gz OIYUWPILRLWQCG-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)[C@H]1CCN(CC)C1 ZINC001391275214 1156306001 /nfs/dbraw/zinc/30/60/01/1156306001.db2.gz OIYUWPILRLWQCG-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+](CCC(C)(C)C)C1)N(C)C ZINC001372656368 1156645263 /nfs/dbraw/zinc/64/52/63/1156645263.db2.gz VZGSXWVRYFHZQA-JKSUJKDBSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](CCC(C)(C)C)C1)N(C)C ZINC001372656368 1156645270 /nfs/dbraw/zinc/64/52/70/1156645270.db2.gz VZGSXWVRYFHZQA-JKSUJKDBSA-N 1 3 311.514 2.447 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[N@H+](C)CC1CC2(CCC2)C1 ZINC001403174946 1162806997 /nfs/dbraw/zinc/80/69/97/1162806997.db2.gz SAIJKLNVIKHREB-JKSUJKDBSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[N@@H+](C)CC1CC2(CCC2)C1 ZINC001403174946 1162807001 /nfs/dbraw/zinc/80/70/01/1162807001.db2.gz SAIJKLNVIKHREB-JKSUJKDBSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]CC[C@@H](C)F)CCCC1)N(C)C ZINC001392025054 1156851551 /nfs/dbraw/zinc/85/15/51/1156851551.db2.gz VDILDJNSKGLDPF-KGLIPLIRSA-N 1 3 301.450 2.093 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H](C[N@H+](C)CCC3CC3)C2)CC1 ZINC001373298378 1156945459 /nfs/dbraw/zinc/94/54/59/1156945459.db2.gz BVTVAMRCIFXRPQ-SFHVURJKSA-N 1 3 321.509 2.299 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H](C[N@@H+](C)CCC3CC3)C2)CC1 ZINC001373298378 1156945469 /nfs/dbraw/zinc/94/54/69/1156945469.db2.gz BVTVAMRCIFXRPQ-SFHVURJKSA-N 1 3 321.509 2.299 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H](C[N@H+](C)CCC3CC3)C2)CC1 ZINC001373298373 1156946576 /nfs/dbraw/zinc/94/65/76/1156946576.db2.gz BVTVAMRCIFXRPQ-GOSISDBHSA-N 1 3 321.509 2.299 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H](C[N@@H+](C)CCC3CC3)C2)CC1 ZINC001373298373 1156946587 /nfs/dbraw/zinc/94/65/87/1156946587.db2.gz BVTVAMRCIFXRPQ-GOSISDBHSA-N 1 3 321.509 2.299 20 0 DEADHO Cc1cccc(C[N@@H+](C)C[C@H](C)NC(=O)CN2CC[C@H](C)C2)c1 ZINC001392683208 1157331710 /nfs/dbraw/zinc/33/17/10/1157331710.db2.gz IAOSRVZHAIHYDL-IRXDYDNUSA-N 1 3 317.477 2.273 20 0 DEADHO Cc1cccc(C[N@H+](C)C[C@H](C)NC(=O)CN2CC[C@H](C)C2)c1 ZINC001392683208 1157331719 /nfs/dbraw/zinc/33/17/19/1157331719.db2.gz IAOSRVZHAIHYDL-IRXDYDNUSA-N 1 3 317.477 2.273 20 0 DEADHO CC[C@H](CNC(=O)[C@@H](CC)N(C)C)[NH2+]Cc1cccc(C)c1 ZINC001373758673 1157343888 /nfs/dbraw/zinc/34/38/88/1157343888.db2.gz CPXVIGXVGSGKFU-IAGOWNOFSA-N 1 3 305.466 2.320 20 0 DEADHO CC[C@H](CNC(=O)[C@@H](CC)N(C)C)[NH2+]Cc1ccc(C)nc1C ZINC001373758041 1157344568 /nfs/dbraw/zinc/34/45/68/1157344568.db2.gz AIYORHBINJRDNQ-IAGOWNOFSA-N 1 3 320.481 2.023 20 0 DEADHO CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCc1ccns1 ZINC001373785971 1157363134 /nfs/dbraw/zinc/36/31/34/1157363134.db2.gz VELGXMOEKHMPKQ-CYBMUJFWSA-N 1 3 324.494 2.002 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CC2)CC1)N(C)C ZINC001373920066 1157461732 /nfs/dbraw/zinc/46/17/32/1157461732.db2.gz IFSNOFDPWKMVNT-BRWVUGGUSA-N 1 3 309.498 2.390 20 0 DEADHO CC[NH2+]Cc1ccc(CNC(=O)CN2[C@H](C)CC[C@@H]2C)cc1 ZINC001373933932 1157477991 /nfs/dbraw/zinc/47/79/91/1157477991.db2.gz NIBRZGBJIBFCGQ-GASCZTMLSA-N 1 3 303.450 2.285 20 0 DEADHO CC1CC(CN2CC[C@H]2CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001392856782 1157485691 /nfs/dbraw/zinc/48/56/91/1157485691.db2.gz OFEWYNCAFHIBQA-GPANFISMSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1cccc([C@H](C)N(C)CCNC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001492816960 1157579795 /nfs/dbraw/zinc/57/97/95/1157579795.db2.gz NEPKBLHISADVAL-IRXDYDNUSA-N 1 3 317.477 2.446 20 0 DEADHO Cc1cccc([C@H](C)N(C)CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001492816960 1157579805 /nfs/dbraw/zinc/57/98/05/1157579805.db2.gz NEPKBLHISADVAL-IRXDYDNUSA-N 1 3 317.477 2.446 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001393051423 1157633301 /nfs/dbraw/zinc/63/33/01/1157633301.db2.gz FRLBESQTOZRWLZ-NVXWUHKLSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CC1CCC1 ZINC001403477602 1162894745 /nfs/dbraw/zinc/89/47/45/1162894745.db2.gz MFPIXBAJBZKFNQ-DOTOQJQBSA-N 1 3 309.498 2.249 20 0 DEADHO CCC[N@H+](CC)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001393858427 1158025900 /nfs/dbraw/zinc/02/59/00/1158025900.db2.gz RGCUANMKRSOJQZ-INIZCTEOSA-N 1 3 309.498 2.299 20 0 DEADHO CCC[N@@H+](CC)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001393858427 1158025906 /nfs/dbraw/zinc/02/59/06/1158025906.db2.gz RGCUANMKRSOJQZ-INIZCTEOSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001374811417 1158038033 /nfs/dbraw/zinc/03/80/33/1158038033.db2.gz PKWGDKHJOIRLTF-GDBMZVCRSA-N 1 3 309.498 2.247 20 0 DEADHO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)C(C)C)cc1 ZINC001394004508 1158155301 /nfs/dbraw/zinc/15/53/01/1158155301.db2.gz PZAXMNLFERQEMC-LSDHHAIUSA-N 1 3 321.465 2.018 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C1C[NH+](CCCC2CCC2)C1)N(C)C ZINC001394244421 1158393017 /nfs/dbraw/zinc/39/30/17/1158393017.db2.gz CWGIKINGUPDPIM-PBHICJAKSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1(NC/C=C/Cl)CC1)[NH+]1CCCC1 ZINC001375553645 1158811243 /nfs/dbraw/zinc/81/12/43/1158811243.db2.gz DFKYDNVMMHGPMJ-GPAKFWEMSA-N 1 3 313.873 2.098 20 0 DEADHO CCCN(C)CC(=O)N1CCCCC[C@H]([NH2+]C[C@@H](F)CC)C1 ZINC001375653764 1158839266 /nfs/dbraw/zinc/83/92/66/1158839266.db2.gz WACYVLYOBIGDEA-HOTGVXAUSA-N 1 3 315.477 2.437 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1CCCN(CCc2cccs2)C1 ZINC001376075784 1159088712 /nfs/dbraw/zinc/08/87/12/1159088712.db2.gz RQBWXCQGFKFJGM-HNNXBMFYSA-N 1 3 323.506 2.213 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCCN(CCc2cccs2)C1 ZINC001376075784 1159088727 /nfs/dbraw/zinc/08/87/27/1159088727.db2.gz RQBWXCQGFKFJGM-HNNXBMFYSA-N 1 3 323.506 2.213 20 0 DEADHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1C)N(C)C ZINC001403577619 1163015104 /nfs/dbraw/zinc/01/51/04/1163015104.db2.gz VYELOTIYWKMPKR-DOTOQJQBSA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@H](F)C[NH2+][C@@H](CNC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001376237452 1159267391 /nfs/dbraw/zinc/26/73/91/1159267391.db2.gz DZKMAMVZNBHHKX-GJZGRUSLSA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C2 ZINC001376376488 1159371581 /nfs/dbraw/zinc/37/15/81/1159371581.db2.gz IISKLURTQLDWBJ-NXOAAHMSSA-N 1 3 307.482 2.096 20 0 DEADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C2 ZINC001376376488 1159371592 /nfs/dbraw/zinc/37/15/92/1159371592.db2.gz IISKLURTQLDWBJ-NXOAAHMSSA-N 1 3 307.482 2.096 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001376512031 1159491369 /nfs/dbraw/zinc/49/13/69/1159491369.db2.gz LVZRUSRPRAKXKQ-RRQGHBQHSA-N 1 3 321.440 2.464 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CCC[N@H+](CC2CCC2)C1)N1CCCC1 ZINC001376529143 1159512480 /nfs/dbraw/zinc/51/24/80/1159512480.db2.gz INIOTGNBSIIPSY-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CCC[N@@H+](CC2CCC2)C1)N1CCCC1 ZINC001376529143 1159512489 /nfs/dbraw/zinc/51/24/89/1159512489.db2.gz INIOTGNBSIIPSY-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CCC[N@H+](CCCF)C1)N1CCCC1 ZINC001376531527 1159514490 /nfs/dbraw/zinc/51/44/90/1159514490.db2.gz MAPWVIODVVBHDH-OAHLLOKOSA-N 1 3 313.461 2.049 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CCC[N@@H+](CCCF)C1)N1CCCC1 ZINC001376531527 1159514525 /nfs/dbraw/zinc/51/45/25/1159514525.db2.gz MAPWVIODVVBHDH-OAHLLOKOSA-N 1 3 313.461 2.049 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]C/C=C/Cl)CCC1 ZINC001376734836 1159742651 /nfs/dbraw/zinc/74/26/51/1159742651.db2.gz HUXLDYJQXSOHCL-KVEVGEHQSA-N 1 3 313.873 2.240 20 0 DEADHO CN(CCNC(=O)CC[NH+](C)C)Cc1ccc(C2CC2)cc1 ZINC001403665429 1163081561 /nfs/dbraw/zinc/08/15/61/1163081561.db2.gz XITBREMMPOWITB-UHFFFAOYSA-N 1 3 303.450 2.064 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)N(C)C ZINC001397129855 1160008135 /nfs/dbraw/zinc/00/81/35/1160008135.db2.gz FFFRIISRMLMTNB-BRWVUGGUSA-N 1 3 309.498 2.391 20 0 DEADHO CC[N@H+](C)CCC(=O)NCCN(C)Cc1ccc2c(c1)CCC2 ZINC001377240711 1160070841 /nfs/dbraw/zinc/07/08/41/1160070841.db2.gz RTIGLPYULQDUQZ-UHFFFAOYSA-N 1 3 317.477 2.065 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCCN(C)Cc1ccc2c(c1)CCC2 ZINC001377240711 1160070851 /nfs/dbraw/zinc/07/08/51/1160070851.db2.gz RTIGLPYULQDUQZ-UHFFFAOYSA-N 1 3 317.477 2.065 20 0 DEADHO CC[C@H](C)C[N@@H+]1CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001377459412 1160387978 /nfs/dbraw/zinc/38/79/78/1160387978.db2.gz JOTLXJRFTRSKQO-HOTGVXAUSA-N 1 3 311.514 2.449 20 0 DEADHO CC[C@H](C)C[N@H+]1CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001377459412 1160387987 /nfs/dbraw/zinc/38/79/87/1160387987.db2.gz JOTLXJRFTRSKQO-HOTGVXAUSA-N 1 3 311.514 2.449 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]C[C@H](F)CC ZINC001397724738 1160421758 /nfs/dbraw/zinc/42/17/58/1160421758.db2.gz KNGCSFYYDOBIRW-OAGGEKHMSA-N 1 3 315.477 2.293 20 0 DEADHO C[C@H]1C[C@@H](NCc2ccccc2F)CN1C(=O)CCC[NH+](C)C ZINC001403738848 1163125479 /nfs/dbraw/zinc/12/54/79/1163125479.db2.gz JDPQUIOEEVORIY-GOEBONIOSA-N 1 3 321.440 2.247 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](Cc1ccc(C)cc1)C1CC1)N(C)C ZINC001377552236 1160541512 /nfs/dbraw/zinc/54/15/12/1160541512.db2.gz GCTBVHIIVAPQIA-SFHVURJKSA-N 1 3 317.477 2.416 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](Cc1ccc(C)cc1)C1CC1)N(C)C ZINC001377552236 1160541522 /nfs/dbraw/zinc/54/15/22/1160541522.db2.gz GCTBVHIIVAPQIA-SFHVURJKSA-N 1 3 317.477 2.416 20 0 DEADHO CC(C)C[N@H+](C)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001377794707 1160828377 /nfs/dbraw/zinc/82/83/77/1160828377.db2.gz CFKMFNJCBLMPSO-INIZCTEOSA-N 1 3 309.498 2.155 20 0 DEADHO CC(C)C[N@@H+](C)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001377794707 1160828378 /nfs/dbraw/zinc/82/83/78/1160828378.db2.gz CFKMFNJCBLMPSO-INIZCTEOSA-N 1 3 309.498 2.155 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC12CC[NH+](CC[C@H](C)F)CC2 ZINC001398359609 1160865094 /nfs/dbraw/zinc/86/50/94/1160865094.db2.gz IDRBITVDNVPHHV-GJZGRUSLSA-N 1 3 313.461 2.045 20 0 DEADHO CN(C)C1(C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C2CC2)CCC1 ZINC001398404235 1160879002 /nfs/dbraw/zinc/87/90/02/1160879002.db2.gz KCFUEVCUUOHQSU-OAHLLOKOSA-N 1 3 309.498 2.391 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC2CC(C)(C)C2)[C@@H]1C ZINC001403771834 1163165202 /nfs/dbraw/zinc/16/52/02/1163165202.db2.gz PVHWJBMEHAYDGA-GOEBONIOSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1cccc(CN2CCC[C@H](NC(=O)CC[NH+](C)C)[C@@H]2C)c1 ZINC001403776324 1163168159 /nfs/dbraw/zinc/16/81/59/1163168159.db2.gz AJBHGYYRSGEYAJ-WMZOPIPTSA-N 1 3 317.477 2.416 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)N1CCCC1 ZINC001378135428 1161045168 /nfs/dbraw/zinc/04/51/68/1161045168.db2.gz IOOVGZAKOCEGIO-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N1CCCC1 ZINC001378135428 1161045173 /nfs/dbraw/zinc/04/51/73/1161045173.db2.gz IOOVGZAKOCEGIO-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)NC/C=C/Cl ZINC001399010637 1161188656 /nfs/dbraw/zinc/18/86/56/1161188656.db2.gz DKPKRIMEAVUWAQ-XYYIANASSA-N 1 3 315.889 2.488 20 0 DEADHO C[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)NC/C=C/Cl ZINC001399010637 1161188661 /nfs/dbraw/zinc/18/86/61/1161188661.db2.gz DKPKRIMEAVUWAQ-XYYIANASSA-N 1 3 315.889 2.488 20 0 DEADHO CC[C@@H](F)C[NH2+][C@@H](C)CCNC(=O)C(C)(C)N1CCCCC1 ZINC001399324211 1161347599 /nfs/dbraw/zinc/34/75/99/1161347599.db2.gz XQMBWVYVCYFOEY-LSDHHAIUSA-N 1 3 315.477 2.483 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](CC)CC[C@H](C)F ZINC001399823726 1161578836 /nfs/dbraw/zinc/57/88/36/1161578836.db2.gz NUJVMQLJWZPHGI-GJZGRUSLSA-N 1 3 301.450 2.047 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](CC)CC[C@H](C)F ZINC001399823726 1161578843 /nfs/dbraw/zinc/57/88/43/1161578843.db2.gz NUJVMQLJWZPHGI-GJZGRUSLSA-N 1 3 301.450 2.047 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccsc2)C1)N(C)C ZINC001399921123 1161608187 /nfs/dbraw/zinc/60/81/87/1161608187.db2.gz XZRVGWOPCBSIPA-ZBFHGGJFSA-N 1 3 323.506 2.272 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccsc2)C1)N(C)C ZINC001399921123 1161608188 /nfs/dbraw/zinc/60/81/88/1161608188.db2.gz XZRVGWOPCBSIPA-ZBFHGGJFSA-N 1 3 323.506 2.272 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+]CCN(C)C(=O)CN2CC[C@@H](C)C2)c1 ZINC001400067638 1161645333 /nfs/dbraw/zinc/64/53/33/1161645333.db2.gz LVZJCJYEGJXBFA-IAGOWNOFSA-N 1 3 317.477 2.446 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]([NH2+]CC1CC1)c1ccccc1)N(C)C ZINC001400078150 1161647855 /nfs/dbraw/zinc/64/78/55/1161647855.db2.gz DFVFQNIMBVHVPR-QZTJIDSGSA-N 1 3 317.477 2.430 20 0 DEADHO CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2CC1CC1)[NH+](CC)CC ZINC001400105891 1161654243 /nfs/dbraw/zinc/65/42/43/1161654243.db2.gz SCLYWAYUZNJESO-BBWFWOEESA-N 1 3 307.482 2.192 20 0 DEADHO CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)NCC=C(Cl)Cl ZINC001400913795 1161845278 /nfs/dbraw/zinc/84/52/78/1161845278.db2.gz BVJYNCJKNJKDHW-YPMHNXCESA-N 1 3 324.296 2.376 20 0 DEADHO CC[NH2+]C1(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CCCC1 ZINC001401186096 1161889665 /nfs/dbraw/zinc/88/96/65/1161889665.db2.gz PKFHWMALTYXLMS-KRWDZBQOSA-N 1 3 313.461 2.237 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCN2C)cc1C ZINC001401207869 1161894514 /nfs/dbraw/zinc/89/45/14/1161894514.db2.gz WTEUHXDZTMIFFW-SJLPKXTDSA-N 1 3 317.477 2.334 20 0 DEADHO CC(C)C[C@H](C[NH2+]CC1CCC1)NC(=O)C1(N(C)C)CCC1 ZINC001401286889 1161915747 /nfs/dbraw/zinc/91/57/47/1161915747.db2.gz PDCKXNQERNHLMK-MRXNPFEDSA-N 1 3 309.498 2.391 20 0 DEADHO CCc1cccc(C[NH2+]C[C@H](C)NC(=O)[C@@H](CC)N(C)C)c1 ZINC001401695152 1162079499 /nfs/dbraw/zinc/07/94/99/1162079499.db2.gz QJVHQUJINDOKHE-WMLDXEAASA-N 1 3 305.466 2.184 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)C[N@H+](C)CCc1ccccc1)N(C)C ZINC001401747464 1162106102 /nfs/dbraw/zinc/10/61/02/1162106102.db2.gz BWVPKZXNSNSNEE-AEFFLSMTSA-N 1 3 319.493 2.252 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CCc1ccccc1)N(C)C ZINC001401747464 1162106108 /nfs/dbraw/zinc/10/61/08/1162106108.db2.gz BWVPKZXNSNSNEE-AEFFLSMTSA-N 1 3 319.493 2.252 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccc(F)cc1C)N(C)C ZINC001401784896 1162129645 /nfs/dbraw/zinc/12/96/45/1162129645.db2.gz YQEWXAFBCMKNJG-PBHICJAKSA-N 1 3 323.456 2.411 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(F)cc1C)N(C)C ZINC001401784896 1162129647 /nfs/dbraw/zinc/12/96/47/1162129647.db2.gz YQEWXAFBCMKNJG-PBHICJAKSA-N 1 3 323.456 2.411 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)NCCF ZINC001402044510 1162226564 /nfs/dbraw/zinc/22/65/64/1162226564.db2.gz OANKUYYMEPLRNI-HUUCEWRRSA-N 1 3 301.450 2.047 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)NCCF ZINC001402044510 1162226566 /nfs/dbraw/zinc/22/65/66/1162226566.db2.gz OANKUYYMEPLRNI-HUUCEWRRSA-N 1 3 301.450 2.047 20 0 DEADHO CC(C)C[NH2+][C@H](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001404332795 1163589966 /nfs/dbraw/zinc/58/99/66/1163589966.db2.gz LCBBHXULKUYVTM-OAHLLOKOSA-N 1 3 309.498 2.343 20 0 DEADHO CCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001405033153 1163902341 /nfs/dbraw/zinc/90/23/41/1163902341.db2.gz MFZVQFGIASVIKJ-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001405033153 1163902345 /nfs/dbraw/zinc/90/23/45/1163902345.db2.gz MFZVQFGIASVIKJ-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]C/C=C/Cl ZINC001405311251 1164047438 /nfs/dbraw/zinc/04/74/38/1164047438.db2.gz VNELLUSXZWKRCD-SBDDDAINSA-N 1 3 303.878 2.201 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001405658068 1164176939 /nfs/dbraw/zinc/17/69/39/1164176939.db2.gz ATNSQHNXWPVBGI-HNNXBMFYSA-N 1 3 317.477 2.321 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001405802850 1164249389 /nfs/dbraw/zinc/24/93/89/1164249389.db2.gz ZJPFPPAIISJYSU-PBHICJAKSA-N 1 3 321.440 2.165 20 0 DEADHO Cc1ccc(F)c(CNC[C@@H](C)N(C)C(=O)CCC[NH+](C)C)c1 ZINC001405875043 1164304691 /nfs/dbraw/zinc/30/46/91/1164304691.db2.gz TYZBOYOKAOWPAF-OAHLLOKOSA-N 1 3 323.456 2.412 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CC[C@@H]2[C@H](CCN2C/C=C\Cl)C1 ZINC001406186370 1164498595 /nfs/dbraw/zinc/49/85/95/1164498595.db2.gz NWMGXIIQCVULPQ-JFCGUDLGSA-N 1 3 313.873 2.004 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]C/C=C\Cl)[C@H](CC)C1 ZINC001406811093 1164837461 /nfs/dbraw/zinc/83/74/61/1164837461.db2.gz PXSYXLXHIPBAQF-XCRGBYMUSA-N 1 3 315.889 2.297 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1(NCc2ccsc2)CC1 ZINC001406939809 1164888699 /nfs/dbraw/zinc/88/86/99/1164888699.db2.gz XAIQRHBPBSOLAQ-OAHLLOKOSA-N 1 3 321.490 2.361 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCC1(NCc2ccsc2)CC1 ZINC001406939809 1164888700 /nfs/dbraw/zinc/88/87/00/1164888700.db2.gz XAIQRHBPBSOLAQ-OAHLLOKOSA-N 1 3 321.490 2.361 20 0 DEADHO CN1CCC[C@@H]1C(=O)NCC[N@H+](CCF)C1CCCCCC1 ZINC001406998088 1164915636 /nfs/dbraw/zinc/91/56/36/1164915636.db2.gz BGLUUJCBAKZWJS-MRXNPFEDSA-N 1 3 313.461 2.191 20 0 DEADHO CN1CCC[C@@H]1C(=O)NCC[N@@H+](CCF)C1CCCCCC1 ZINC001406998088 1164915655 /nfs/dbraw/zinc/91/56/55/1164915655.db2.gz BGLUUJCBAKZWJS-MRXNPFEDSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CC1 ZINC001407013114 1164923560 /nfs/dbraw/zinc/92/35/60/1164923560.db2.gz WOPFIGCCSNTEKR-OAHLLOKOSA-N 1 3 303.450 2.326 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC001407028073 1164931844 /nfs/dbraw/zinc/93/18/44/1164931844.db2.gz YXVDZIWGJFZKNE-GOSISDBHSA-N 1 3 307.482 2.053 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC001407028073 1164931850 /nfs/dbraw/zinc/93/18/50/1164931850.db2.gz YXVDZIWGJFZKNE-GOSISDBHSA-N 1 3 307.482 2.053 20 0 DEADHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001408211110 1165534633 /nfs/dbraw/zinc/53/46/33/1165534633.db2.gz CSFIWXUREXEIMO-GJZGRUSLSA-N 1 3 309.498 2.249 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001417790919 1167215395 /nfs/dbraw/zinc/21/53/95/1167215395.db2.gz IMRNVKMQEDFPAJ-FPCVCCKLSA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)C[NH2+][C@@H](CNC(=O)[C@H](C)N1CCCCCC1)C1CC1 ZINC001417996788 1167352847 /nfs/dbraw/zinc/35/28/47/1167352847.db2.gz DRYCANULQHYKBQ-RDJZCZTQSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1cc(F)ccc1C[NH2+][C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001418231990 1167507633 /nfs/dbraw/zinc/50/76/33/1167507633.db2.gz ANKSSGMJACVIJC-CQSZACIVSA-N 1 3 321.440 2.213 20 0 DEADHO C[NH+](C)CCc1cccc(C(=O)NC[C@H]2CCN2C(C)(C)C)c1 ZINC001418425883 1167646651 /nfs/dbraw/zinc/64/66/51/1167646651.db2.gz BOBSZSZTFPOILY-QGZVFWFLSA-N 1 3 317.477 2.393 20 0 DEADHO CC[N@H+](CCCF)CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001418569334 1167818754 /nfs/dbraw/zinc/81/87/54/1167818754.db2.gz CMQYLDWDHZZQNC-HNNXBMFYSA-N 1 3 301.450 2.047 20 0 DEADHO CC[N@@H+](CCCF)CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001418569334 1167818757 /nfs/dbraw/zinc/81/87/57/1167818757.db2.gz CMQYLDWDHZZQNC-HNNXBMFYSA-N 1 3 301.450 2.047 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC2CC(C)C2)C1)N(C)C ZINC001418951280 1168090219 /nfs/dbraw/zinc/09/02/19/1168090219.db2.gz GZIZHCURNGOCIM-BACDZXNISA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CC(C)C2)C1)N(C)C ZINC001418951280 1168090225 /nfs/dbraw/zinc/09/02/25/1168090225.db2.gz GZIZHCURNGOCIM-BACDZXNISA-N 1 3 309.498 2.199 20 0 DEADHO C[C@H](F)CC[NH2+][C@H](CNC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001419282676 1168372365 /nfs/dbraw/zinc/37/23/65/1168372365.db2.gz VIBRTCTWJDUFRP-DZGCQCFKSA-N 1 3 313.461 2.093 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@@H]([NH2+]Cc2ccsc2)C2CC2)C1 ZINC001419288732 1168376732 /nfs/dbraw/zinc/37/67/32/1168376732.db2.gz DJTRFSXGYYRPNX-CZUORRHYSA-N 1 3 321.490 2.074 20 0 DEADHO CN(C)C1(C(=O)N(C)CC[N@H+](C)CC2CC3(CCC3)C2)CCC1 ZINC001419967653 1169018893 /nfs/dbraw/zinc/01/88/93/1169018893.db2.gz QAVFVBCOIQDJPW-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C)C1(C(=O)N(C)CC[N@@H+](C)CC2CC3(CCC3)C2)CCC1 ZINC001419967653 1169018903 /nfs/dbraw/zinc/01/89/03/1169018903.db2.gz QAVFVBCOIQDJPW-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)Cc1cccc(C)c1 ZINC001420240925 1169272657 /nfs/dbraw/zinc/27/26/57/1169272657.db2.gz SXHTYBIMURCXBN-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(C)Cc1cccc(C)c1 ZINC001420240925 1169272667 /nfs/dbraw/zinc/27/26/67/1169272667.db2.gz SXHTYBIMURCXBN-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO CC[C@H](c1ccc(F)cc1)N(C)CCNC(=O)CC[NH+](C)C ZINC001420290092 1169325572 /nfs/dbraw/zinc/32/55/72/1169325572.db2.gz NKNUHPLNBNAVPJ-MRXNPFEDSA-N 1 3 309.429 2.277 20 0 DEADHO Cc1cccc(CN(C)CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC001420351689 1169389815 /nfs/dbraw/zinc/38/98/15/1169389815.db2.gz ZVBXQUBIDDLJSA-IRXDYDNUSA-N 1 3 317.477 2.416 20 0 DEADHO CCC[N@H+](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001420683045 1169866544 /nfs/dbraw/zinc/86/65/44/1169866544.db2.gz OLDKWOWPZSHBCN-QGZVFWFLSA-N 1 3 313.461 2.190 20 0 DEADHO CCC[N@@H+](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001420683045 1169866545 /nfs/dbraw/zinc/86/65/45/1169866545.db2.gz OLDKWOWPZSHBCN-QGZVFWFLSA-N 1 3 313.461 2.190 20 0 DEADHO CN(C)C1(C(=O)NCC[C@H]2CC[N@H+](CC3CCCC3)C2)CCC1 ZINC001420864141 1171294070 /nfs/dbraw/zinc/29/40/70/1171294070.db2.gz WKAQEDKWXUGNGX-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CN(C)C1(C(=O)NCC[C@H]2CC[N@@H+](CC3CCCC3)C2)CCC1 ZINC001420864141 1171294101 /nfs/dbraw/zinc/29/41/01/1171294101.db2.gz WKAQEDKWXUGNGX-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)C[C@H](C)CN1CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001420874141 1171307970 /nfs/dbraw/zinc/30/79/70/1171307970.db2.gz SISSXIXBFQBKOK-IRXDYDNUSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CCc2cccs2)C1)N(C)C ZINC001421270771 1171656039 /nfs/dbraw/zinc/65/60/39/1171656039.db2.gz WGLYTTJDCSIBNY-ZBFHGGJFSA-N 1 3 323.506 2.067 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCc2cccs2)C1)N(C)C ZINC001421270771 1171656051 /nfs/dbraw/zinc/65/60/51/1171656051.db2.gz WGLYTTJDCSIBNY-ZBFHGGJFSA-N 1 3 323.506 2.067 20 0 DEADHO CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCc1ccccc1F ZINC001421466436 1171811456 /nfs/dbraw/zinc/81/14/56/1171811456.db2.gz CRUUEQTVFULOBQ-GOEBONIOSA-N 1 3 321.440 2.152 20 0 DEADHO CC[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1ccccc1F ZINC001421466436 1171811459 /nfs/dbraw/zinc/81/14/59/1171811459.db2.gz CRUUEQTVFULOBQ-GOEBONIOSA-N 1 3 321.440 2.152 20 0 DEADHO CC(C)[C@H](C(=O)NCCC1CC[NH+](CC2CC2)CC1)N(C)C ZINC001421641037 1171878416 /nfs/dbraw/zinc/87/84/16/1171878416.db2.gz KMUHPUXTRWJGMC-QGZVFWFLSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H](C[NH2+]Cc1ccsc1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001421938320 1172156624 /nfs/dbraw/zinc/15/66/24/1172156624.db2.gz FXTRGOOJKJNLFF-KGLIPLIRSA-N 1 3 309.479 2.026 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001422910337 1172921103 /nfs/dbraw/zinc/92/11/03/1172921103.db2.gz WZKUDIVXSJHXDK-BPUTZDHNSA-N 1 3 309.498 2.247 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@H+](C)CCc1cccs1 ZINC001422914579 1172926778 /nfs/dbraw/zinc/92/67/78/1172926778.db2.gz FONVDALUIKFQBN-AWEZNQCLSA-N 1 3 311.495 2.067 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)CCc1cccs1 ZINC001422914579 1172926783 /nfs/dbraw/zinc/92/67/83/1172926783.db2.gz FONVDALUIKFQBN-AWEZNQCLSA-N 1 3 311.495 2.067 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2)C1)N(C)C ZINC001422913947 1172927493 /nfs/dbraw/zinc/92/74/93/1172927493.db2.gz LJGCNISRZUZSGQ-KZNAEPCWSA-N 1 3 317.477 2.257 20 0 DEADHO CN1C[C@@H]2CC[C@@H]([NH2+]C3CCN(C(=O)CC(C)(C)C)CC3)[C@@H]2C1 ZINC001422972429 1172987221 /nfs/dbraw/zinc/98/72/21/1172987221.db2.gz MHLCDCSFUWAOPC-USXIJHARSA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCc1ccc(C)cc1)N(C)C ZINC001423143533 1173114097 /nfs/dbraw/zinc/11/40/97/1173114097.db2.gz BURIRDGUEMZPCN-AEFFLSMTSA-N 1 3 319.493 2.314 20 0 DEADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCN2CC2CC3(CCC3)C2)C1 ZINC001423163005 1173133402 /nfs/dbraw/zinc/13/34/02/1173133402.db2.gz CXMKOCSMFSSEPY-DOTOQJQBSA-N 1 3 319.493 2.099 20 0 DEADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CCN2CC2CC3(CCC3)C2)C1 ZINC001423163005 1173133407 /nfs/dbraw/zinc/13/34/07/1173133407.db2.gz CXMKOCSMFSSEPY-DOTOQJQBSA-N 1 3 319.493 2.099 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+][C@@H](CO)C2CCCC2)CC1 ZINC001423244565 1173181077 /nfs/dbraw/zinc/18/10/77/1173181077.db2.gz UGMPFLYTUXZESO-ADKAHSJRSA-N 1 3 310.482 2.161 20 0 DEADHO C[NH+](C)CCC(=O)N[C@]12CCC[C@@H]1N(CCC(F)(F)F)CC2 ZINC001423354003 1173290012 /nfs/dbraw/zinc/29/00/12/1173290012.db2.gz QBOYRZQYJJPYAJ-JSGCOSHPSA-N 1 3 321.387 2.004 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1C(C)C ZINC001423481104 1173368784 /nfs/dbraw/zinc/36/87/84/1173368784.db2.gz GWIJVMCQXDPMRD-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO CN(C)C1(C(=O)N(C)C2CC([NH2+]CC3CCCC3)C2)CCC1 ZINC001423688688 1173492040 /nfs/dbraw/zinc/49/20/40/1173492040.db2.gz RWQUMNRDUZSHTR-UHFFFAOYSA-N 1 3 307.482 2.240 20 0 DEADHO CCC1([NH2+]CC2CC(C)C2)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001424370473 1173773101 /nfs/dbraw/zinc/77/31/01/1173773101.db2.gz KBVBNZAPLVWGBH-OFLPRAFFSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](C(=O)N(C)C1CCC([NH2+]C/C=C/Cl)CC1)N(C)C ZINC001424861316 1173996252 /nfs/dbraw/zinc/99/62/52/1173996252.db2.gz VXPZMCXBNHLYPV-GRZYKCCDSA-N 1 3 315.889 2.438 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CC1CC1)C1CC1 ZINC001425504619 1174343609 /nfs/dbraw/zinc/34/36/09/1174343609.db2.gz HTHFXVZZYYJZGZ-ZWKOTPCHSA-N 1 3 321.509 2.486 20 0 DEADHO C[C@H]1[C@H](NCCF)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001425874144 1174491868 /nfs/dbraw/zinc/49/18/68/1174491868.db2.gz HIEKAWNCPJGGAF-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)(C)CC[NH2+][C@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC001425960279 1174538130 /nfs/dbraw/zinc/53/81/30/1174538130.db2.gz YRXYYFKWZSXUKG-AWEZNQCLSA-N 1 3 306.454 2.215 20 0 DEADHO CC[C@H](F)CN1CCC(C2(NC(=O)CC[NH+](C)C)CC2)CC1 ZINC001426265341 1174673131 /nfs/dbraw/zinc/67/31/31/1174673131.db2.gz REQSQWQTSNYKCB-HNNXBMFYSA-N 1 3 313.461 2.047 20 0 DEADHO C[N@@H+]1C[C@H](NC(=O)c2ccc(Nc3ccncc3)cc2)C(C)(C)C1 ZINC001434381212 1178426611 /nfs/dbraw/zinc/42/66/11/1178426611.db2.gz PQAFHFGEEYWNLD-KRWDZBQOSA-N 1 3 324.428 2.317 20 0 DEADHO C[N@H+]1C[C@H](NC(=O)c2ccc(Nc3ccncc3)cc2)C(C)(C)C1 ZINC001434381212 1178426623 /nfs/dbraw/zinc/42/66/23/1178426623.db2.gz PQAFHFGEEYWNLD-KRWDZBQOSA-N 1 3 324.428 2.317 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H]3CCC[C@@]4(CCOC4)O3)CC[C@H]21 ZINC001434460971 1178596334 /nfs/dbraw/zinc/59/63/34/1178596334.db2.gz WLOWCJUSMHBVOF-XDNAFOTISA-N 1 3 308.466 2.131 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C[C@@H]3CCC[C@@]4(CCOC4)O3)CC[C@H]21 ZINC001434460971 1178596353 /nfs/dbraw/zinc/59/63/53/1178596353.db2.gz WLOWCJUSMHBVOF-XDNAFOTISA-N 1 3 308.466 2.131 20 0 DEADHO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001434536659 1178800753 /nfs/dbraw/zinc/80/07/53/1178800753.db2.gz NIFHXDKLDUYJRW-UYUGIJINSA-N 1 3 310.482 2.421 20 0 DEADHO CC(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001436843937 1179276350 /nfs/dbraw/zinc/27/63/50/1179276350.db2.gz FIRJBNSNQOXESW-IAGOWNOFSA-N 1 3 311.514 2.399 20 0 DEADHO CC(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001436843937 1179276355 /nfs/dbraw/zinc/27/63/55/1179276355.db2.gz FIRJBNSNQOXESW-IAGOWNOFSA-N 1 3 311.514 2.399 20 0 DEADHO Cc1ccc(C)c(C[NH2+][C@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001437143587 1179482230 /nfs/dbraw/zinc/48/22/30/1179482230.db2.gz HLOVRJAJBWCQJX-MRXNPFEDSA-N 1 3 317.477 2.382 20 0 DEADHO C[C@@H](c1ccc(F)cc1)N(C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001437540728 1179840373 /nfs/dbraw/zinc/84/03/73/1179840373.db2.gz FZDSIXVQJZUQPP-AWEZNQCLSA-N 1 3 319.424 2.031 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@H+](C)[C@H]1CCc2ccccc21 ZINC001437571201 1179849943 /nfs/dbraw/zinc/84/99/43/1179849943.db2.gz SUCHGBRQGMTSCI-KRWDZBQOSA-N 1 3 303.450 2.062 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001437571201 1179849947 /nfs/dbraw/zinc/84/99/47/1179849947.db2.gz SUCHGBRQGMTSCI-KRWDZBQOSA-N 1 3 303.450 2.062 20 0 DEADHO CC[N@H+](CCNC(=O)C1(N(C)C)CCC1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001437596279 1179858900 /nfs/dbraw/zinc/85/89/00/1179858900.db2.gz BZLZYXJOLBDIHD-IXDOHACOSA-N 1 3 321.509 2.345 20 0 DEADHO CC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001437596279 1179858904 /nfs/dbraw/zinc/85/89/04/1179858904.db2.gz BZLZYXJOLBDIHD-IXDOHACOSA-N 1 3 321.509 2.345 20 0 DEADHO O=C(C[NH+]1CCCC1)NC[C@H]1CCCN1Cc1ccc(F)cc1 ZINC001437696014 1179892706 /nfs/dbraw/zinc/89/27/06/1179892706.db2.gz DXBBXVJKZSTNOO-QGZVFWFLSA-N 1 3 319.424 2.002 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC[N@H+](CC1CCC1)C1CC1 ZINC001437811369 1180007474 /nfs/dbraw/zinc/00/74/74/1180007474.db2.gz HFKJDKUHYMSMNV-HUUCEWRRSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC[N@@H+](CC1CCC1)C1CC1 ZINC001437811369 1180007483 /nfs/dbraw/zinc/00/74/83/1180007483.db2.gz HFKJDKUHYMSMNV-HUUCEWRRSA-N 1 3 307.482 2.240 20 0 DEADHO C[N@H+](C/C=C/Cl)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001438005316 1180152953 /nfs/dbraw/zinc/15/29/53/1180152953.db2.gz QCARMECRAURSNK-QPJJXVBHSA-N 1 3 313.873 2.005 20 0 DEADHO C[N@@H+](C/C=C/Cl)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001438005316 1180152964 /nfs/dbraw/zinc/15/29/64/1180152964.db2.gz QCARMECRAURSNK-QPJJXVBHSA-N 1 3 313.873 2.005 20 0 DEADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1cccc(C)c1 ZINC001438367843 1180373812 /nfs/dbraw/zinc/37/38/12/1180373812.db2.gz BOJUAFJSFIVWOZ-QGZVFWFLSA-N 1 3 305.466 2.320 20 0 DEADHO CC[C@@H](C(=O)NC1(C[NH2+]Cc2cncs2)CCCC1)N(C)C ZINC001438402970 1180391969 /nfs/dbraw/zinc/39/19/69/1180391969.db2.gz OEKSAPYHBAFOSM-AWEZNQCLSA-N 1 3 324.494 2.002 20 0 DEADHO CC(C)C[NH2+]C[C@@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001438533613 1180560326 /nfs/dbraw/zinc/56/03/26/1180560326.db2.gz UFIVNUOWMOCIPT-RHSMWYFYSA-N 1 3 315.477 2.197 20 0 DEADHO CC(C)[N@H+](C)CCC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001438769777 1180808376 /nfs/dbraw/zinc/80/83/76/1180808376.db2.gz ZCVBKYPIJDOWHT-UHFFFAOYSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)[N@@H+](C)CCC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001438769777 1180808379 /nfs/dbraw/zinc/80/83/79/1180808379.db2.gz ZCVBKYPIJDOWHT-UHFFFAOYSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1cccc(OC)c1)N(C)C ZINC001439226180 1180949849 /nfs/dbraw/zinc/94/98/49/1180949849.db2.gz QKZURWQVEYWTEE-GRDNDAEWSA-N 1 3 321.465 2.191 20 0 DEADHO C[C@@H](C[N@H+](C)CC1CC2(CCC2)C1)NC(=O)CN1CC[C@@H](C)C1 ZINC001439364033 1181045649 /nfs/dbraw/zinc/04/56/49/1181045649.db2.gz GNZHZMAPILVPGM-CVEARBPZSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H](C[N@@H+](C)CC1CC2(CCC2)C1)NC(=O)CN1CC[C@@H](C)C1 ZINC001439364033 1181045656 /nfs/dbraw/zinc/04/56/56/1181045656.db2.gz GNZHZMAPILVPGM-CVEARBPZSA-N 1 3 321.509 2.345 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@](C)(C[NH2+]CC3CCC3)C2)CC1 ZINC001439900206 1181296181 /nfs/dbraw/zinc/29/61/81/1181296181.db2.gz PZXAAQMNRIRYCR-IBGZPJMESA-N 1 3 321.509 2.347 20 0 DEADHO CC(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001440313597 1181443188 /nfs/dbraw/zinc/44/31/88/1181443188.db2.gz NMAQUIBRTBIQNQ-LUKYLMHMSA-N 1 3 309.498 2.390 20 0 DEADHO CC[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001440350346 1181460149 /nfs/dbraw/zinc/46/01/49/1181460149.db2.gz QKASINZNBKTWGY-JYJNAYRXSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccccc2)C1)N(C)C ZINC001440764088 1181679918 /nfs/dbraw/zinc/67/99/18/1181679918.db2.gz KRPXZRAMPPPADX-JCYILVPMSA-N 1 3 303.450 2.011 20 0 DEADHO C[C@@H]([NH2+]Cc1ccccc1F)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001440801190 1181699466 /nfs/dbraw/zinc/69/94/66/1181699466.db2.gz SHLHSYXUBFTHIZ-KGLIPLIRSA-N 1 3 321.440 2.293 20 0 DEADHO Cc1ccc(CC[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)C(C)C)cc1 ZINC001440849332 1181727735 /nfs/dbraw/zinc/72/77/35/1181727735.db2.gz BYFHEQTXBWAXAU-IAGOWNOFSA-N 1 3 319.493 2.361 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]([NH2+]C/C=C\Cl)C1CC1 ZINC001441203162 1181893624 /nfs/dbraw/zinc/89/36/24/1181893624.db2.gz NTVVCCGIJKLSQK-FEDKZRLMSA-N 1 3 313.873 2.098 20 0 DEADHO CC1CC(C[NH2+][C@H]2C[C@H](NC(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001441405348 1181980483 /nfs/dbraw/zinc/98/04/83/1181980483.db2.gz RHRIJKQBADVNGU-QJKUTOJQSA-N 1 3 309.498 2.247 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001441460877 1182005221 /nfs/dbraw/zinc/00/52/21/1182005221.db2.gz MREIYYKEPQFYNE-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001441460877 1182005226 /nfs/dbraw/zinc/00/52/26/1182005226.db2.gz MREIYYKEPQFYNE-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2F)C1)N(C)C ZINC001441520282 1182038999 /nfs/dbraw/zinc/03/89/99/1182038999.db2.gz GFXHBBQVVWCZPT-HLLBOEOZSA-N 1 3 321.440 2.149 20 0 DEADHO CC[N@H+](C)CCC(=O)NC1CCC(NCc2nccs2)CC1 ZINC001441763523 1182150683 /nfs/dbraw/zinc/15/06/83/1182150683.db2.gz ZQIGRPDBNVFFMF-UHFFFAOYSA-N 1 3 324.494 2.002 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC1CCC(NCc2nccs2)CC1 ZINC001441763523 1182150686 /nfs/dbraw/zinc/15/06/86/1182150686.db2.gz ZQIGRPDBNVFFMF-UHFFFAOYSA-N 1 3 324.494 2.002 20 0 DEADHO CCCN(C)CC(=O)NCC[N@H+](C)[C@H]1CCc2c1cccc2F ZINC001442580486 1182551596 /nfs/dbraw/zinc/55/15/96/1182551596.db2.gz IGIITAYENIBTKY-KRWDZBQOSA-N 1 3 321.440 2.203 20 0 DEADHO CCCN(C)CC(=O)NCC[N@@H+](C)[C@H]1CCc2c1cccc2F ZINC001442580486 1182551602 /nfs/dbraw/zinc/55/16/02/1182551602.db2.gz IGIITAYENIBTKY-KRWDZBQOSA-N 1 3 321.440 2.203 20 0 DEADHO CC(C)c1ccc(CN(C)CCNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001442610072 1182569594 /nfs/dbraw/zinc/56/95/94/1182569594.db2.gz LRJTZAZGFNKAFX-SFHVURJKSA-N 1 3 317.477 2.310 20 0 DEADHO CC(C)c1ccc(CN(C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001442610072 1182569599 /nfs/dbraw/zinc/56/95/99/1182569599.db2.gz LRJTZAZGFNKAFX-SFHVURJKSA-N 1 3 317.477 2.310 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1C(C)C)N1CCCCC1 ZINC001442850569 1182745257 /nfs/dbraw/zinc/74/52/57/1182745257.db2.gz SVFWDFNZPVKAMX-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1C(C)C)N1CCCCC1 ZINC001442850569 1182745263 /nfs/dbraw/zinc/74/52/63/1182745263.db2.gz SVFWDFNZPVKAMX-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H](NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1Cl ZINC001443094764 1182846436 /nfs/dbraw/zinc/84/64/36/1182846436.db2.gz QIRFMSXHUQZMTR-KBPBESRZSA-N 1 3 323.868 2.401 20 0 DEADHO C[C@H](NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1Cl ZINC001443094764 1182846438 /nfs/dbraw/zinc/84/64/38/1182846438.db2.gz QIRFMSXHUQZMTR-KBPBESRZSA-N 1 3 323.868 2.401 20 0 DEADHO C[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1Cl ZINC001443094777 1182846493 /nfs/dbraw/zinc/84/64/93/1182846493.db2.gz QIRFMSXHUQZMTR-ZIAGYGMSSA-N 1 3 323.868 2.401 20 0 DEADHO C[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1Cl ZINC001443094777 1182846497 /nfs/dbraw/zinc/84/64/97/1182846497.db2.gz QIRFMSXHUQZMTR-ZIAGYGMSSA-N 1 3 323.868 2.401 20 0 DEADHO CCC[NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)c1ccccc1 ZINC001443136211 1182858380 /nfs/dbraw/zinc/85/83/80/1182858380.db2.gz KWKBRSTZQBFRGP-INIZCTEOSA-N 1 3 303.450 2.328 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001444580024 1183466177 /nfs/dbraw/zinc/46/61/77/1183466177.db2.gz GLAQFFRDJHRTEN-RDJZCZTQSA-N 1 3 303.450 2.026 20 0 DEADHO C[C@@H](C[NH2+]CC1CCCCC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001444640693 1183494273 /nfs/dbraw/zinc/49/42/73/1183494273.db2.gz VZNCOBYFYJEWEB-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1[NH2+]CCC1CC1 ZINC001446000861 1184170938 /nfs/dbraw/zinc/17/09/38/1184170938.db2.gz APGZHOBGFKRATL-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CCC(CC)C[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001446069069 1184210342 /nfs/dbraw/zinc/21/03/42/1184210342.db2.gz LNHOWKUTOGDZMU-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CCC(CC)C[N@H+]1CC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001446069069 1184210351 /nfs/dbraw/zinc/21/03/51/1184210351.db2.gz LNHOWKUTOGDZMU-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@H+](CC[C@@H](C)F)C2)C1 ZINC001446335568 1184312248 /nfs/dbraw/zinc/31/22/48/1184312248.db2.gz FQSMOSLPDZUXFL-NVXWUHKLSA-N 1 3 313.461 2.001 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@@H+](CC[C@@H](C)F)C2)C1 ZINC001446335568 1184312258 /nfs/dbraw/zinc/31/22/58/1184312258.db2.gz FQSMOSLPDZUXFL-NVXWUHKLSA-N 1 3 313.461 2.001 20 0 DEADHO Cc1ccccc1C[N@@H+](C)CCCN(C)C(=O)Cc1c[nH]cn1 ZINC001447356374 1184741495 /nfs/dbraw/zinc/74/14/95/1184741495.db2.gz DWAFARKUOCQCFO-UHFFFAOYSA-N 1 3 314.433 2.241 20 0 DEADHO Cc1ccccc1C[N@H+](C)CCCN(C)C(=O)Cc1c[nH]cn1 ZINC001447356374 1184741501 /nfs/dbraw/zinc/74/15/01/1184741501.db2.gz DWAFARKUOCQCFO-UHFFFAOYSA-N 1 3 314.433 2.241 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccsc2)[C@@H](C)C1 ZINC001447533514 1184803042 /nfs/dbraw/zinc/80/30/42/1184803042.db2.gz CYNMPZDDPMLCJE-ZFWWWQNUSA-N 1 3 309.479 2.026 20 0 DEADHO CC(C)C[C@H](C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C(C)C)[C@@H]2C1 ZINC001448469979 1185242081 /nfs/dbraw/zinc/24/20/81/1185242081.db2.gz NDPJAWWTPCGWCR-XLAORIBOSA-N 1 3 323.525 2.303 20 0 DEADHO CC(C)C[C@H](C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C(C)C)[C@@H]2C1 ZINC001448469979 1185242086 /nfs/dbraw/zinc/24/20/86/1185242086.db2.gz NDPJAWWTPCGWCR-XLAORIBOSA-N 1 3 323.525 2.303 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CC1CC1)C1CC1 ZINC001448605058 1185318135 /nfs/dbraw/zinc/31/81/35/1185318135.db2.gz SZZBJOQXURUZJT-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N(C)Cc1nn(-c2cc3nccc-3c[nH]2)c2c1CC[NH2+]C2 ZINC001164686092 719608071 /nfs/dbraw/zinc/60/80/71/719608071.db2.gz YCDAZAUTVBNZMQ-UHFFFAOYSA-N 1 3 324.432 2.235 20 0 DEADHO Cc1cnc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)c(C[NH3+])c1 ZINC001164733857 720418477 /nfs/dbraw/zinc/41/84/77/720418477.db2.gz QIMYKUCHXVJMMH-MSOLQXFVSA-N 1 3 323.444 2.097 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CCC3CCCC3)C2)CCC1 ZINC001370642991 1149824827 /nfs/dbraw/zinc/82/48/27/1149824827.db2.gz YRACCEKNNARHFU-IYBDPMFKSA-N 1 3 307.482 2.288 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCC(C)(C)C)[C@H](C)C1)N(C)C ZINC001106312753 782648302 /nfs/dbraw/zinc/64/83/02/782648302.db2.gz NLXRJSJIZPBISK-BZUAXINKSA-N 1 3 311.514 2.447 20 0 DEADHO CCC(CC)C[N@@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001072983256 790357139 /nfs/dbraw/zinc/35/71/39/790357139.db2.gz PNVMASDSIQOVBU-MRXNPFEDSA-N 1 3 321.509 2.299 20 0 DEADHO CCC(CC)C[N@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001072983256 790357149 /nfs/dbraw/zinc/35/71/49/790357149.db2.gz PNVMASDSIQOVBU-MRXNPFEDSA-N 1 3 321.509 2.299 20 0 DEADHO CCCC[NH2+]CC1(CCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001167240947 776792847 /nfs/dbraw/zinc/79/28/47/776792847.db2.gz WYDFHAWGMLDPRS-UHFFFAOYSA-N 1 3 309.498 2.395 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC2CC2)C1)N(C)C ZINC001104348597 777095923 /nfs/dbraw/zinc/09/59/23/777095923.db2.gz KDXJCABPHGECII-DJIMGWMZSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@@H](F)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105067031 778323304 /nfs/dbraw/zinc/32/33/04/778323304.db2.gz KALOSRJFVITYPF-BZUAXINKSA-N 1 3 315.477 2.149 20 0 DEADHO Cc1cc(F)cc(CN2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)c1 ZINC001143588040 779279931 /nfs/dbraw/zinc/27/99/31/779279931.db2.gz YJOKNKYZTVIVEW-ZWKOTPCHSA-N 1 3 305.441 2.344 20 0 DEADHO Cc1cc(F)cc(CN2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)c1 ZINC001143588040 779279933 /nfs/dbraw/zinc/27/99/33/779279933.db2.gz YJOKNKYZTVIVEW-ZWKOTPCHSA-N 1 3 305.441 2.344 20 0 DEADHO C[C@@H]1CC(NC[C@@H]2CCC(=O)N2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168008658 779291737 /nfs/dbraw/zinc/29/17/37/779291737.db2.gz FQXHBUFOOAJVJG-INMHGKMJSA-N 1 3 315.461 2.296 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001087992802 779619173 /nfs/dbraw/zinc/61/91/73/779619173.db2.gz MZHKCSNSBVJEIN-CVEARBPZSA-N 1 3 307.482 2.051 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001087992802 779619178 /nfs/dbraw/zinc/61/91/78/779619178.db2.gz MZHKCSNSBVJEIN-CVEARBPZSA-N 1 3 307.482 2.051 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C1 ZINC001087994901 779621137 /nfs/dbraw/zinc/62/11/37/779621137.db2.gz JMFABIRXHACGRZ-CVEARBPZSA-N 1 3 307.482 2.051 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C1 ZINC001087994901 779621143 /nfs/dbraw/zinc/62/11/43/779621143.db2.gz JMFABIRXHACGRZ-CVEARBPZSA-N 1 3 307.482 2.051 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CCCCCF)CC1 ZINC001204793599 779831577 /nfs/dbraw/zinc/83/15/77/779831577.db2.gz KCMQKWZQDMDMEQ-MRXNPFEDSA-N 1 3 313.461 2.049 20 0 DEADHO CN(CC(=O)N[C@@H]1C[C@H]([NH2+]CC2CC2)C12CCC2)CC(C)(C)C ZINC001203425785 779864888 /nfs/dbraw/zinc/86/48/88/779864888.db2.gz DGVWIYPNCLWAQI-JKSUJKDBSA-N 1 3 321.509 2.391 20 0 DEADHO CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001105429205 780276344 /nfs/dbraw/zinc/27/63/44/780276344.db2.gz QRNSYHWJFDORRI-LMMKCTJWSA-N 1 3 317.477 2.153 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@](C[NH2+]CC)(c2ccccc2)C1 ZINC001105446608 780362380 /nfs/dbraw/zinc/36/23/80/780362380.db2.gz PQNCOGQWZALUAS-IZAXUBKRSA-N 1 3 317.477 2.154 20 0 DEADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C2CCCC2)[C@H]1C ZINC001088622131 780660893 /nfs/dbraw/zinc/66/08/93/780660893.db2.gz IJJNZQGFWHVKEK-HYVNUMGLSA-N 1 3 307.482 2.382 20 0 DEADHO CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C2CCCC2)[C@H]1C ZINC001088622131 780660899 /nfs/dbraw/zinc/66/08/99/780660899.db2.gz IJJNZQGFWHVKEK-HYVNUMGLSA-N 1 3 307.482 2.382 20 0 DEADHO NCc1cc(-c2ccncc2)nn1C1CC[NH+](CC2CC2)CC1 ZINC001168362635 781019628 /nfs/dbraw/zinc/01/96/28/781019628.db2.gz AAZHNRQPGVUPJP-UHFFFAOYSA-N 1 3 311.433 2.451 20 0 DEADHO CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC000948066024 783308333 /nfs/dbraw/zinc/30/83/33/783308333.db2.gz MADZONKIOQNVSV-GDBMZVCRSA-N 1 3 303.450 2.351 20 0 DEADHO CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC000948066024 783308344 /nfs/dbraw/zinc/30/83/44/783308344.db2.gz MADZONKIOQNVSV-GDBMZVCRSA-N 1 3 303.450 2.351 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC1 ZINC001085217742 783587923 /nfs/dbraw/zinc/58/79/23/783587923.db2.gz ORTMQPQWAYSBRP-BRWVUGGUSA-N 1 3 307.482 2.288 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1CC1 ZINC001085589022 783865427 /nfs/dbraw/zinc/86/54/27/783865427.db2.gz BBQVFAOHXGVTFB-DLBZAZTESA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1CC1 ZINC001085589022 783865437 /nfs/dbraw/zinc/86/54/37/783865437.db2.gz BBQVFAOHXGVTFB-DLBZAZTESA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1CCC1CC1 ZINC001085589022 783865447 /nfs/dbraw/zinc/86/54/47/783865447.db2.gz BBQVFAOHXGVTFB-DLBZAZTESA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1CCC1CC1 ZINC001085589022 783865458 /nfs/dbraw/zinc/86/54/58/783865458.db2.gz BBQVFAOHXGVTFB-DLBZAZTESA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCC1 ZINC001085589372 783867605 /nfs/dbraw/zinc/86/76/05/783867605.db2.gz KIZMVILQEBTIQL-IRXDYDNUSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCC1 ZINC001085589372 783867612 /nfs/dbraw/zinc/86/76/12/783867612.db2.gz KIZMVILQEBTIQL-IRXDYDNUSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1CC1CC1 ZINC001085687843 783967185 /nfs/dbraw/zinc/96/71/85/783967185.db2.gz WOLVNHNYHQHGNQ-IRXDYDNUSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1CC1CC1 ZINC001085687843 783967195 /nfs/dbraw/zinc/96/71/95/783967195.db2.gz WOLVNHNYHQHGNQ-IRXDYDNUSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1CC1CC1 ZINC001085687844 783968185 /nfs/dbraw/zinc/96/81/85/783968185.db2.gz WOLVNHNYHQHGNQ-SJORKVTESA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1CC1CC1 ZINC001085687844 783968192 /nfs/dbraw/zinc/96/81/92/783968192.db2.gz WOLVNHNYHQHGNQ-SJORKVTESA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CCN1CC1CC1 ZINC001085855431 784147985 /nfs/dbraw/zinc/14/79/85/784147985.db2.gz YKPDOGHCFPLKOZ-SJORKVTESA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CCN1CC1CC1 ZINC001085855431 784147990 /nfs/dbraw/zinc/14/79/90/784147990.db2.gz YKPDOGHCFPLKOZ-SJORKVTESA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CC1 ZINC001085855431 784147995 /nfs/dbraw/zinc/14/79/95/784147995.db2.gz YKPDOGHCFPLKOZ-SJORKVTESA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CC1 ZINC001085855431 784148000 /nfs/dbraw/zinc/14/80/00/784148000.db2.gz YKPDOGHCFPLKOZ-SJORKVTESA-N 1 3 307.482 2.192 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CC1 ZINC001074063425 791034248 /nfs/dbraw/zinc/03/42/48/791034248.db2.gz LTPVQZUASURNNC-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC1 ZINC001074063425 791034260 /nfs/dbraw/zinc/03/42/60/791034260.db2.gz LTPVQZUASURNNC-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CC2)C1 ZINC001086382507 784634168 /nfs/dbraw/zinc/63/41/68/784634168.db2.gz LAJZLFGKWBFGRR-BRWVUGGUSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1)c1ccccc1 ZINC000968921850 784652039 /nfs/dbraw/zinc/65/20/39/784652039.db2.gz LFVDJTQZPZSKOK-NVXWUHKLSA-N 1 3 315.461 2.422 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(CC=C(C)C)C2)CC[N@@H+]1C ZINC001007368106 784901308 /nfs/dbraw/zinc/90/13/08/784901308.db2.gz BHSBYVFRQZJDEZ-YESZJQIVSA-N 1 3 307.482 2.264 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(CC=C(C)C)C2)CC[N@H+]1C ZINC001007368106 784901313 /nfs/dbraw/zinc/90/13/13/784901313.db2.gz BHSBYVFRQZJDEZ-YESZJQIVSA-N 1 3 307.482 2.264 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC(=O)N(Cc3ccccc3)C1)C2 ZINC001169094556 785030954 /nfs/dbraw/zinc/03/09/54/785030954.db2.gz MNIXFLJAQDPGTB-FJIDUMEYSA-N 1 3 313.445 2.002 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1CN(c3ccccc3)CCO1)C2 ZINC001169111908 785056853 /nfs/dbraw/zinc/05/68/53/785056853.db2.gz QVVFOYGZHSIUAN-KANFNMMFSA-N 1 3 315.461 2.107 20 0 DEADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCN(CC3=CCCCC3)C2)C1 ZINC001009199292 785406536 /nfs/dbraw/zinc/40/65/36/785406536.db2.gz DRMUILIBAHCCHC-ZWKOTPCHSA-N 1 3 319.493 2.409 20 0 DEADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCN(CC3=CCCCC3)C2)C1 ZINC001009199292 785406540 /nfs/dbraw/zinc/40/65/40/785406540.db2.gz DRMUILIBAHCCHC-ZWKOTPCHSA-N 1 3 319.493 2.409 20 0 DEADHO Cc1cc(CN2CCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)cs1 ZINC001009520344 785472792 /nfs/dbraw/zinc/47/27/92/785472792.db2.gz WXYHIMBZMIQPKF-MRXNPFEDSA-N 1 3 321.490 2.233 20 0 DEADHO CCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CCC)C2 ZINC001108802777 785544596 /nfs/dbraw/zinc/54/45/96/785544596.db2.gz MPUVVHRSCYBJRC-ULQDDVLXSA-N 1 3 309.498 2.488 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)C ZINC001109462276 785889196 /nfs/dbraw/zinc/88/91/96/785889196.db2.gz IECFNGVEFBHMOI-PMPSAXMXSA-N 1 3 309.498 2.484 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C ZINC001109462276 785889201 /nfs/dbraw/zinc/88/92/01/785889201.db2.gz IECFNGVEFBHMOI-PMPSAXMXSA-N 1 3 309.498 2.484 20 0 DEADHO O=C(N[C@H]1CCN(CC2=CCCCC2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001014470784 786595721 /nfs/dbraw/zinc/59/57/21/786595721.db2.gz UWXXLPIMVCESMU-ROUUACIJSA-N 1 3 317.477 2.019 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001129435305 787213162 /nfs/dbraw/zinc/21/31/62/787213162.db2.gz FCPOLSMANNOMMC-WMLDXEAASA-N 1 3 303.450 2.102 20 0 DEADHO CN(C)[C@H](C(=O)NCC[NH2+]CCCCc1ccccc1)C1CC1 ZINC001129443789 787214902 /nfs/dbraw/zinc/21/49/02/787214902.db2.gz NIIKRZXLOHCSNC-SFHVURJKSA-N 1 3 317.477 2.055 20 0 DEADHO CC[C@H]([NH2+]CCNC(=O)[C@H](C(C)C)N(C)C)c1ccccc1 ZINC001129950396 787262587 /nfs/dbraw/zinc/26/25/87/787262587.db2.gz SAVNSASHAAZCMM-IRXDYDNUSA-N 1 3 305.466 2.430 20 0 DEADHO CCc1ccccc1CC[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C ZINC001129949698 787262876 /nfs/dbraw/zinc/26/28/76/787262876.db2.gz HRJYFRJUAALABO-SFHVURJKSA-N 1 3 319.493 2.084 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+]Cc1cccc(OC(C)C)c1)N(C)C ZINC001130197137 787313886 /nfs/dbraw/zinc/31/38/86/787313886.db2.gz DERXUCJRBFOYBK-QGZVFWFLSA-N 1 3 321.465 2.020 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+]Cc1ccc(Cl)c(F)c1)N(C)C ZINC001130197037 787314062 /nfs/dbraw/zinc/31/40/62/787314062.db2.gz BMFAEQNBNBRUEK-CQSZACIVSA-N 1 3 315.820 2.025 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+]Cc1ccc(C(C)C)cc1)N(C)C ZINC001130198160 787314403 /nfs/dbraw/zinc/31/44/03/787314403.db2.gz XUEXHKCQILZQNK-QGZVFWFLSA-N 1 3 305.466 2.356 20 0 DEADHO C[C@@H](Nc1ccc(F)c(CN2CCCC2)c1)[C@H]1C[NH2+]CCO1 ZINC001170576469 787677939 /nfs/dbraw/zinc/67/79/39/787677939.db2.gz VLFBQZFDUOPAID-CXAGYDPISA-N 1 3 307.413 2.210 20 0 DEADHO C[C@@H](Nc1ccc(F)c(C[NH+]2CCCC2)c1)[C@H]1CNCCO1 ZINC001170576469 787677940 /nfs/dbraw/zinc/67/79/40/787677940.db2.gz VLFBQZFDUOPAID-CXAGYDPISA-N 1 3 307.413 2.210 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCNCc2ccc(F)cc2)C1 ZINC001132737843 788179061 /nfs/dbraw/zinc/17/90/61/788179061.db2.gz RPHOXTJYFQSUCX-INIZCTEOSA-N 1 3 321.440 2.154 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)NCCNCc2ccc(F)cc2)C1 ZINC001132737843 788179065 /nfs/dbraw/zinc/17/90/65/788179065.db2.gz RPHOXTJYFQSUCX-INIZCTEOSA-N 1 3 321.440 2.154 20 0 DEADHO CCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@H]1C ZINC001133195473 788314255 /nfs/dbraw/zinc/31/42/55/788314255.db2.gz RFTSWTJMQALPDK-IAGOWNOFSA-N 1 3 309.498 2.203 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCC2CC2)C1 ZINC001133275855 788347146 /nfs/dbraw/zinc/34/71/46/788347146.db2.gz XJSKHZQSAPANTP-WBVHZDCISA-N 1 3 309.498 2.203 20 0 DEADHO Cc1cc(Cl)ccc1C[NH2+]CCNC(=O)CN1CCC[C@@H]1C ZINC001133833949 788627178 /nfs/dbraw/zinc/62/71/78/788627178.db2.gz KMYWDRXBDXBEKX-AWEZNQCLSA-N 1 3 323.868 2.339 20 0 DEADHO CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1cnc(C)o1 ZINC001134772587 789072493 /nfs/dbraw/zinc/07/24/93/789072493.db2.gz GIKNFGXQZSRPDC-QWHCGFSZSA-N 1 3 324.469 2.086 20 0 DEADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1cnc(C)o1 ZINC001134772587 789072508 /nfs/dbraw/zinc/07/25/08/789072508.db2.gz GIKNFGXQZSRPDC-QWHCGFSZSA-N 1 3 324.469 2.086 20 0 DEADHO C[C@H](C[C@H](C)[NH2+]CC1CCC1)NC(=O)CN1CCC(C)(C)C1 ZINC001135475723 789364671 /nfs/dbraw/zinc/36/46/71/789364671.db2.gz FNHUEMBYGMNQND-LSDHHAIUSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H](C[C@@H](C)[NH2+]CCCF)NC(=O)CN(C)CC(C)(C)C ZINC001135476319 789364809 /nfs/dbraw/zinc/36/48/09/789364809.db2.gz JJSCEYZBRGBHQQ-ZIAGYGMSSA-N 1 3 303.466 2.197 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCOC(C)C ZINC001135979798 789581605 /nfs/dbraw/zinc/58/16/05/789581605.db2.gz JBPFAYWEAYBGCF-HOTGVXAUSA-N 1 3 315.502 2.016 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1oc(C)nc1C ZINC001135980348 789581686 /nfs/dbraw/zinc/58/16/86/789581686.db2.gz OCSVQIUNBPFNPI-STQMWFEESA-N 1 3 324.469 2.006 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC(F)(F)F ZINC001146594844 791319749 /nfs/dbraw/zinc/31/97/49/791319749.db2.gz VMOVDUHCKLOSOZ-NWDGAFQWSA-N 1 3 311.392 2.152 20 0 DEADHO CC[NH+]1CCC(C(=O)N(C)CCN(C)Cc2ccccc2)CC1 ZINC001146781479 791358860 /nfs/dbraw/zinc/35/88/60/791358860.db2.gz IXDOAAAAHBMVDE-UHFFFAOYSA-N 1 3 317.477 2.309 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[NH2+]CC/C=C\c1ccccc1 ZINC001149124018 791475612 /nfs/dbraw/zinc/47/56/12/791475612.db2.gz OIVXRGFCSKOGAA-UITAMQMPSA-N 1 3 312.417 2.070 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](C(C)C)C[C@@]2(C)C1 ZINC001091667374 791638037 /nfs/dbraw/zinc/63/80/37/791638037.db2.gz QXIZEJFCFOLNGI-RYRKJORJSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](C(C)C)C[C@@]2(C)C1 ZINC001091667374 791638042 /nfs/dbraw/zinc/63/80/42/791638042.db2.gz QXIZEJFCFOLNGI-RYRKJORJSA-N 1 3 307.482 2.048 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1)C2 ZINC001148647392 791779847 /nfs/dbraw/zinc/77/98/47/791779847.db2.gz VXICISHFWXHJKH-UHFFFAOYSA-N 1 3 315.461 2.063 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](Cc1ccccc1)C2 ZINC001148647392 791779851 /nfs/dbraw/zinc/77/98/51/791779851.db2.gz VXICISHFWXHJKH-UHFFFAOYSA-N 1 3 315.461 2.063 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC001148642912 791780071 /nfs/dbraw/zinc/78/00/71/791780071.db2.gz QGAPAUZUWBCDME-GFCCVEGCSA-N 1 3 313.392 2.073 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+]Cc1c(C)cc(C)cc1C ZINC001148638970 791787281 /nfs/dbraw/zinc/78/72/81/791787281.db2.gz VYEIONSWTGAEQZ-UHFFFAOYSA-N 1 3 305.466 2.159 20 0 DEADHO CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001099173184 792126119 /nfs/dbraw/zinc/12/61/19/792126119.db2.gz LOCYGNGOBQNWLL-HKUYNNGSSA-N 1 3 315.461 2.352 20 0 DEADHO CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001099173184 792126125 /nfs/dbraw/zinc/12/61/25/792126125.db2.gz LOCYGNGOBQNWLL-HKUYNNGSSA-N 1 3 315.461 2.352 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC2CC([NH2+]CCC(C)(C)C)C2)C1 ZINC001100678720 792784685 /nfs/dbraw/zinc/78/46/85/792784685.db2.gz VFDYBFWLMPCRNU-QQFBHYJXSA-N 1 3 309.498 2.249 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1CC([NH2+]CCCC(C)C)C1 ZINC001100918247 792918365 /nfs/dbraw/zinc/91/83/65/792918365.db2.gz LEUKTDMWOVPSFD-UHFFFAOYSA-N 1 3 306.454 2.181 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001101375404 793135943 /nfs/dbraw/zinc/13/59/43/793135943.db2.gz RCUZJWOPWXRGOV-WZYSVALVSA-N 1 3 316.449 2.089 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001101375404 793135946 /nfs/dbraw/zinc/13/59/46/793135946.db2.gz RCUZJWOPWXRGOV-WZYSVALVSA-N 1 3 316.449 2.089 20 0 DEADHO C[NH+]1C(C)(C)CC(NCC2(S(C)(=O)=O)CCC2)CC1(C)C ZINC001171623243 793152454 /nfs/dbraw/zinc/15/24/54/793152454.db2.gz PZNKWYJMWIGSML-UHFFFAOYSA-N 1 3 316.511 2.195 20 0 DEADHO C[NH+]1C(C)(C)CC(N[C@H]2CCN(C(=O)C3CC3)C2)CC1(C)C ZINC001171625268 793156329 /nfs/dbraw/zinc/15/63/29/793156329.db2.gz FAYGNHOTTBZWEI-AWEZNQCLSA-N 1 3 307.482 2.238 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@@H]2CN(C(=O)CN(C)CCC)C[C@]2(C)C1 ZINC001101443670 793164353 /nfs/dbraw/zinc/16/43/53/793164353.db2.gz NQQVOCRSOZVXFJ-KRZVHVFCSA-N 1 3 321.509 2.465 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)CCC)C[C@]2(C)C1 ZINC001101443670 793164355 /nfs/dbraw/zinc/16/43/55/793164355.db2.gz NQQVOCRSOZVXFJ-KRZVHVFCSA-N 1 3 321.509 2.465 20 0 DEADHO COCCCN1CCN(C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171639987 793172253 /nfs/dbraw/zinc/17/22/53/793172253.db2.gz XSQIEGNINAHICN-UHFFFAOYSA-N 1 3 311.514 2.292 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1ccc(C)c(C)c1 ZINC001171762837 793199335 /nfs/dbraw/zinc/19/93/35/793199335.db2.gz NCIKWHNFZXUFAV-UHFFFAOYSA-N 1 3 305.466 2.241 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+][C@H](C)c1ccccc1F ZINC001171769654 793201166 /nfs/dbraw/zinc/20/11/66/793201166.db2.gz CAELRUCUTHKYFM-CQSZACIVSA-N 1 3 309.429 2.324 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC(C(C)(C)C[NH2+]CCF)CC1 ZINC001101596264 793259572 /nfs/dbraw/zinc/25/95/72/793259572.db2.gz QCMMWFPOCHXUPK-UHFFFAOYSA-N 1 3 315.477 2.151 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCCc3ccc(CN)nc31)C2 ZINC001172111482 793330837 /nfs/dbraw/zinc/33/08/37/793330837.db2.gz RQBHAJAEQYZHJN-BJWYYQGGSA-N 1 3 300.450 2.308 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCCc3ccc(CN)nc31)C2 ZINC001172111482 793330846 /nfs/dbraw/zinc/33/08/46/793330846.db2.gz RQBHAJAEQYZHJN-BJWYYQGGSA-N 1 3 300.450 2.308 20 0 DEADHO CCC(CC)N1CCC([NH2+][C@@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172164154 793357109 /nfs/dbraw/zinc/35/71/09/793357109.db2.gz YRPNDRAIRXZJJU-NVXWUHKLSA-N 1 3 307.482 2.382 20 0 DEADHO O=C1CC[C@H]2C[C@H]([NH+]3CCC(N4CCCCC4)CC3)CCN12 ZINC001172166787 793358518 /nfs/dbraw/zinc/35/85/18/793358518.db2.gz RHJBMOOBIMLUIO-SJORKVTESA-N 1 3 305.466 2.090 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048503 793486910 /nfs/dbraw/zinc/48/69/10/793486910.db2.gz FBLQRVFVTALILN-VNKQVBPSSA-N 1 3 321.509 2.367 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048503 793486913 /nfs/dbraw/zinc/48/69/13/793486913.db2.gz FBLQRVFVTALILN-VNKQVBPSSA-N 1 3 321.509 2.367 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@@H](CNC(=O)CN(CC)CC)[C@H](C)C1 ZINC001102475176 793626349 /nfs/dbraw/zinc/62/63/49/793626349.db2.gz BIBXFTYILKOEQG-PIIXRYACSA-N 1 3 309.498 2.369 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)CN(CC)CC)[C@H](C)C1 ZINC001102475176 793626352 /nfs/dbraw/zinc/62/63/52/793626352.db2.gz BIBXFTYILKOEQG-PIIXRYACSA-N 1 3 309.498 2.369 20 0 DEADHO COC(=O)CCCC[C@@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC001173448456 793738499 /nfs/dbraw/zinc/73/84/99/793738499.db2.gz XULJONFZGDIHGO-OAHLLOKOSA-N 1 3 305.422 2.326 20 0 DEADHO COC(=O)CCCC[C@@H](C)[NH+]1CCN(c2ccncc2)CC1 ZINC001173448456 793738503 /nfs/dbraw/zinc/73/85/03/793738503.db2.gz XULJONFZGDIHGO-OAHLLOKOSA-N 1 3 305.422 2.326 20 0 DEADHO COC(=O)c1ccc(C[C@@H](C)[NH2+]CC[C@@H]2CCCN2C)cc1 ZINC001173711426 793818847 /nfs/dbraw/zinc/81/88/47/793818847.db2.gz IKGNCHYELSDFKB-PBHICJAKSA-N 1 3 304.434 2.478 20 0 DEADHO NCCC[N@H+](C1CCCCC1)[C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173736044 793827578 /nfs/dbraw/zinc/82/75/78/793827578.db2.gz XPWMDOWPIHMXRC-CVEARBPZSA-N 1 3 306.458 2.140 20 0 DEADHO NCCC[N@@H+](C1CCCCC1)[C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173736044 793827587 /nfs/dbraw/zinc/82/75/87/793827587.db2.gz XPWMDOWPIHMXRC-CVEARBPZSA-N 1 3 306.458 2.140 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001103088798 793935896 /nfs/dbraw/zinc/93/58/96/793935896.db2.gz VQEWKHBBPLTOPO-OIISXLGYSA-N 1 3 309.498 2.057 20 0 DEADHO CC(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001103088798 793935901 /nfs/dbraw/zinc/93/59/01/793935901.db2.gz VQEWKHBBPLTOPO-OIISXLGYSA-N 1 3 309.498 2.057 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@H+](CC2CC2)C[C@H]1C)N(C)C ZINC001103111853 793945259 /nfs/dbraw/zinc/94/52/59/793945259.db2.gz RFAOUEOGGQMYFE-OIISXLGYSA-N 1 3 309.498 2.057 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CC2CC2)C[C@H]1C)N(C)C ZINC001103111853 793945261 /nfs/dbraw/zinc/94/52/61/793945261.db2.gz RFAOUEOGGQMYFE-OIISXLGYSA-N 1 3 309.498 2.057 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@@H]1C[N@H+](CC2CC2)C[C@H]1C)N(C)C ZINC001103407739 794078478 /nfs/dbraw/zinc/07/84/78/794078478.db2.gz RFAOUEOGGQMYFE-DJIMGWMZSA-N 1 3 309.498 2.057 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](CC2CC2)C[C@H]1C)N(C)C ZINC001103407739 794078485 /nfs/dbraw/zinc/07/84/85/794078485.db2.gz RFAOUEOGGQMYFE-DJIMGWMZSA-N 1 3 309.498 2.057 20 0 DEADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1C ZINC001103550450 794141232 /nfs/dbraw/zinc/14/12/32/794141232.db2.gz RBXIMVPLFMCBFQ-IAGOWNOFSA-N 1 3 309.498 2.369 20 0 DEADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+](CC=C(C)C)C[C@H]1C ZINC001103550450 794141235 /nfs/dbraw/zinc/14/12/35/794141235.db2.gz RBXIMVPLFMCBFQ-IAGOWNOFSA-N 1 3 309.498 2.369 20 0 DEADHO C[C@H](CCCC[NH2+]C/C=C/Cl)NC(=O)CN1CCC[C@@H]1C ZINC001175255823 794170497 /nfs/dbraw/zinc/17/04/97/794170497.db2.gz HJQGTPMFTDNRLC-SIEMXDPISA-N 1 3 315.889 2.488 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)CCCC[NH2+]Cc1cccnc1 ZINC001175767232 794284344 /nfs/dbraw/zinc/28/43/44/794284344.db2.gz DDBGHKYSCRDYJO-MRXNPFEDSA-N 1 3 320.481 2.188 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)CCCC[NH2+]C/C=C/Cl ZINC001175787814 794289039 /nfs/dbraw/zinc/28/90/39/794289039.db2.gz XMUUCKRUDLWJER-QSYFUGGGSA-N 1 3 303.878 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1cnoc1C ZINC001176285027 794389094 /nfs/dbraw/zinc/38/90/94/794389094.db2.gz LQANCGFWRWQTDQ-CQSZACIVSA-N 1 3 324.469 2.089 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccccn1 ZINC001176279831 794390172 /nfs/dbraw/zinc/39/01/72/794390172.db2.gz QWUFVSINPQFFPF-MRXNPFEDSA-N 1 3 320.481 2.188 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001176972217 794544083 /nfs/dbraw/zinc/54/40/83/794544083.db2.gz RAVVUQBICNHPRD-QGZVFWFLSA-N 1 3 303.450 2.110 20 0 DEADHO CCc1ccccc1CC[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176972227 794544213 /nfs/dbraw/zinc/54/42/13/794544213.db2.gz RNTDSXMZSDXOTJ-UHFFFAOYSA-N 1 3 319.493 2.228 20 0 DEADHO Cc1cccc([C@H](C)[NH2+]CCCNC(=O)CN(C)C(C)C)c1 ZINC001176986096 794547084 /nfs/dbraw/zinc/54/70/84/794547084.db2.gz DRGXISDLZPUDQK-INIZCTEOSA-N 1 3 305.466 2.492 20 0 DEADHO Cc1ccccc1CCC[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176986082 794547276 /nfs/dbraw/zinc/54/72/76/794547276.db2.gz DIEBIWIEPUAASL-UHFFFAOYSA-N 1 3 319.493 2.364 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccccc1 ZINC001176986288 794547598 /nfs/dbraw/zinc/54/75/98/794547598.db2.gz JOYRGJWBWGEWQO-QGZVFWFLSA-N 1 3 303.450 2.157 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1cccc(C)c1 ZINC001176986911 794549245 /nfs/dbraw/zinc/54/92/45/794549245.db2.gz YGVVTKBHCWBUPJ-SFHVURJKSA-N 1 3 317.477 2.465 20 0 DEADHO CCC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)CN(C)C(C)C)[C@@H]2C1 ZINC001115304272 794729455 /nfs/dbraw/zinc/72/94/55/794729455.db2.gz PUUZWEHZIZLRPK-XPWYGWHRSA-N 1 3 307.482 2.119 20 0 DEADHO CCC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)CN(C)C(C)C)[C@@H]2C1 ZINC001115304272 794729458 /nfs/dbraw/zinc/72/94/58/794729458.db2.gz PUUZWEHZIZLRPK-XPWYGWHRSA-N 1 3 307.482 2.119 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]C/C=C/Cl)CCCCC1)N(C)C ZINC001115593283 794831649 /nfs/dbraw/zinc/83/16/49/794831649.db2.gz GRFSRRVFISADCP-BMGYJQCNSA-N 1 3 315.889 2.488 20 0 DEADHO CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H]1C ZINC001178356216 794907770 /nfs/dbraw/zinc/90/77/70/794907770.db2.gz JDPWSNCRTZPDCE-YRXQITCTSA-N 1 3 307.482 2.406 20 0 DEADHO CC[C@@H](C(=O)NCCCCCC[NH2+]Cc1cnoc1C)N(C)C ZINC001179609090 795142932 /nfs/dbraw/zinc/14/29/32/795142932.db2.gz GRBDMANASSBITA-INIZCTEOSA-N 1 3 324.469 2.089 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCCCCC[NH2+]C/C=C/Cl)C1 ZINC001179585772 795145859 /nfs/dbraw/zinc/14/58/59/795145859.db2.gz LCCBDLSXZUXBNQ-PMGBHYCQSA-N 1 3 315.889 2.347 20 0 DEADHO CC[C@H](F)C[NH2+]CCCCCCNC(=O)CN(C)C(C)C ZINC001180369695 795292466 /nfs/dbraw/zinc/29/24/66/795292466.db2.gz SOOLNCXNGGZKNX-HNNXBMFYSA-N 1 3 303.466 2.341 20 0 DEADHO C[C@@H](C(=O)N(C1CCCC1)C1CC[NH+](C)CC1)N1CCCC1 ZINC001180582667 795336645 /nfs/dbraw/zinc/33/66/45/795336645.db2.gz HRNSTDFNOIQEMC-HNNXBMFYSA-N 1 3 307.482 2.336 20 0 DEADHO CN(CC(=O)N1CCCC[C@@H]1C[NH+]1CCCC1)C1CCCC1 ZINC001180628323 795345999 /nfs/dbraw/zinc/34/59/99/795345999.db2.gz SJCVBMWBQWQXRB-QGZVFWFLSA-N 1 3 307.482 2.338 20 0 DEADHO CN(CC(=O)NCc1cccc(C[NH+](C)C)c1)C1CCCC1 ZINC001180630190 795347877 /nfs/dbraw/zinc/34/78/77/795347877.db2.gz MTVFOMCRZPAFTK-UHFFFAOYSA-N 1 3 303.450 2.239 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]C/C=C\Cl)CCCCC1 ZINC001120046148 795397249 /nfs/dbraw/zinc/39/72/49/795397249.db2.gz MQLORUXCBAGYNH-YFHOEESVSA-N 1 3 315.889 2.489 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]CC[C@H](C)F)CCCCC1 ZINC001120045949 795397448 /nfs/dbraw/zinc/39/74/48/795397448.db2.gz JXHADUYIGGRXLO-HNNXBMFYSA-N 1 3 315.477 2.485 20 0 DEADHO CC(C)C[NH2+]C[C@]1(C)CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001182630148 795715185 /nfs/dbraw/zinc/71/51/85/795715185.db2.gz QCIKAQCFCNMMRM-LZLYRXPVSA-N 1 3 309.498 2.058 20 0 DEADHO CC(C)=CC[NH2+]C1CC2(CC(NC(=O)CN(C)C(C)C)C2)C1 ZINC001122242542 795739290 /nfs/dbraw/zinc/73/92/90/795739290.db2.gz HTLOTMJJFWQEDT-UHFFFAOYSA-N 1 3 307.482 2.310 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C/C=C/Cl)C1 ZINC001182934126 795786835 /nfs/dbraw/zinc/78/68/35/795786835.db2.gz QVEWMDFTJIZYJB-XIHNBGGYSA-N 1 3 315.889 2.155 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC2(CCC[N@@H+]2CC2CC2)CC1)N(C)C ZINC001183359993 795854423 /nfs/dbraw/zinc/85/44/23/795854423.db2.gz MOHUWVZKANOGIB-QGZVFWFLSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC2(CCC[N@H+]2CC2CC2)CC1)N(C)C ZINC001183359993 795854430 /nfs/dbraw/zinc/85/44/30/795854430.db2.gz MOHUWVZKANOGIB-QGZVFWFLSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[C@H](C(=O)N(C)CCN(C)Cc1ccccc1)[NH+](C)C ZINC001183363882 795855180 /nfs/dbraw/zinc/85/51/80/795855180.db2.gz ZZOKXZNBFMBGFB-QGZVFWFLSA-N 1 3 305.466 2.163 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001183773032 795927999 /nfs/dbraw/zinc/92/79/99/795927999.db2.gz MMMZKBMQOSFYFC-QGZVFWFLSA-N 1 3 317.477 2.416 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001185380099 796245432 /nfs/dbraw/zinc/24/54/32/796245432.db2.gz IVNBIMKXZXKMEF-MSOLQXFVSA-N 1 3 323.525 2.449 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](NC/C=C\Cl)C1)[NH+](CC)CC ZINC001185609581 796293347 /nfs/dbraw/zinc/29/33/47/796293347.db2.gz LBKXPBJNWYZZNM-TXKQXAOOSA-N 1 3 301.862 2.050 20 0 DEADHO CCCC[NH2+][C@@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001185659748 796301385 /nfs/dbraw/zinc/30/13/85/796301385.db2.gz QBQLRIMFWZJRBO-PBHICJAKSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001185751324 796315500 /nfs/dbraw/zinc/31/55/00/796315500.db2.gz PBKHQDVUGZJLKQ-IRXDYDNUSA-N 1 3 311.514 2.447 20 0 DEADHO N[C@H](C(=O)N1CCC(C2CC[NH2+]CC2)CC1)C1CCCCC1 ZINC001161205968 796472000 /nfs/dbraw/zinc/47/20/00/796472000.db2.gz UNLITNVZVKGIEY-KRWDZBQOSA-N 1 3 307.482 2.132 20 0 DEADHO COc1ccc2n[nH]c(CN3CCC4(C3)CC[NH+](C)CC4)c2c1 ZINC001140069505 796474632 /nfs/dbraw/zinc/47/46/32/796474632.db2.gz XERNNQMPDAKZDI-UHFFFAOYSA-N 1 3 314.433 2.489 20 0 DEADHO CCN(CC)CC(=O)N1CCC([NH2+]CCCCCF)CC1 ZINC001203010131 796487311 /nfs/dbraw/zinc/48/73/11/796487311.db2.gz IEAFXHKOPSAQTH-UHFFFAOYSA-N 1 3 301.450 2.049 20 0 DEADHO CCC(CC)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001188140121 796631880 /nfs/dbraw/zinc/63/18/80/796631880.db2.gz YPFRIKJRHZSVFM-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188145442 796632773 /nfs/dbraw/zinc/63/27/73/796632773.db2.gz HHPWGLYGSVVNGA-QGZVFWFLSA-N 1 3 303.450 2.026 20 0 DEADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1F ZINC001188158399 796640903 /nfs/dbraw/zinc/64/09/03/796640903.db2.gz NFNZYBIHSOKKKC-MRXNPFEDSA-N 1 3 321.440 2.165 20 0 DEADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1C ZINC001188157998 796641012 /nfs/dbraw/zinc/64/10/12/796641012.db2.gz CFXJIDAVMOVLCO-GOSISDBHSA-N 1 3 317.477 2.334 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)CC=C(C)C)C2)CC[N@@H+]1C ZINC001190248191 796966831 /nfs/dbraw/zinc/96/68/31/796966831.db2.gz XZCNVZXHDISNRE-IXDOHACOSA-N 1 3 307.482 2.216 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)CC=C(C)C)C2)CC[N@H+]1C ZINC001190248191 796966833 /nfs/dbraw/zinc/96/68/33/796966833.db2.gz XZCNVZXHDISNRE-IXDOHACOSA-N 1 3 307.482 2.216 20 0 DEADHO CC(C)CCC[N@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190643421 797047491 /nfs/dbraw/zinc/04/74/91/797047491.db2.gz BQINFGJQUGSQOV-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CCC[N@@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190643421 797047498 /nfs/dbraw/zinc/04/74/98/797047498.db2.gz BQINFGJQUGSQOV-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H]([N@H+](C)CCCCCF)C2)CCC1 ZINC001190643723 797048443 /nfs/dbraw/zinc/04/84/43/797048443.db2.gz CHJGHKRMGGPXKU-OAHLLOKOSA-N 1 3 313.461 2.143 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H]([N@@H+](C)CCCCCF)C2)CCC1 ZINC001190643723 797048451 /nfs/dbraw/zinc/04/84/51/797048451.db2.gz CHJGHKRMGGPXKU-OAHLLOKOSA-N 1 3 313.461 2.143 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC(C[NH2+]C/C=C/Cl)CC1 ZINC001205548548 797122647 /nfs/dbraw/zinc/12/26/47/797122647.db2.gz FKKINJOXQHDXGF-RMKNXTFCSA-N 1 3 315.889 2.297 20 0 DEADHO CCCOc1ccccc1C(=O)N(CC[NH+](CC)CC)C(=N)N ZINC001191008404 797123371 /nfs/dbraw/zinc/12/33/71/797123371.db2.gz TVXFCBRDCRVJMN-UHFFFAOYSA-N 1 3 320.437 2.153 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC[NH2+]CCCCCF)c1 ZINC001152245822 797162545 /nfs/dbraw/zinc/16/25/45/797162545.db2.gz NDYZFFZEUBXDCR-UHFFFAOYSA-N 1 3 309.429 2.207 20 0 DEADHO CC(C)N(C)CC(=O)NCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001152433057 797187442 /nfs/dbraw/zinc/18/74/42/797187442.db2.gz SFRGFAKFFSERBG-UHFFFAOYSA-N 1 3 303.450 2.110 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]CCCCC(F)(F)F ZINC001152451694 797189682 /nfs/dbraw/zinc/18/96/82/797189682.db2.gz DMEXZYJZRJQLFT-ZDUSSCGKSA-N 1 3 323.403 2.299 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)c1ccccc1 ZINC001152459097 797190990 /nfs/dbraw/zinc/19/09/90/797190990.db2.gz YQKVQVWPGFONDK-DOTOQJQBSA-N 1 3 303.450 2.328 20 0 DEADHO Cc1cc(CNCCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)cs1 ZINC001152480436 797194406 /nfs/dbraw/zinc/19/44/06/797194406.db2.gz UBQWASKMPFQVKP-INIZCTEOSA-N 1 3 323.506 2.383 20 0 DEADHO O=C(CCCC[NH+]1CCCC1)NCCNCc1ccsc1 ZINC001153314941 797320475 /nfs/dbraw/zinc/32/04/75/797320475.db2.gz VJMAAJPNZWICIX-UHFFFAOYSA-N 1 3 309.479 2.220 20 0 DEADHO CN(Cc1ccc(CF)cc1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192143418 797333768 /nfs/dbraw/zinc/33/37/68/797333768.db2.gz NKCUXOUYRDINHB-KRWDZBQOSA-N 1 3 321.440 2.141 20 0 DEADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001194285968 797709287 /nfs/dbraw/zinc/70/92/87/797709287.db2.gz WAZISERLRXORAH-GOSISDBHSA-N 1 3 317.477 2.368 20 0 DEADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001194285968 797709289 /nfs/dbraw/zinc/70/92/89/797709289.db2.gz WAZISERLRXORAH-GOSISDBHSA-N 1 3 317.477 2.368 20 0 DEADHO CN(C)Cc1ccnc(NCC[C@H]2C[NH2+]Cc3cccn3C2)c1 ZINC001155461483 797762576 /nfs/dbraw/zinc/76/25/76/797762576.db2.gz FAKHYYCIJWMLML-INIZCTEOSA-N 1 3 313.449 2.166 20 0 DEADHO CCN(Cc1ccsc1)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156194563 797945085 /nfs/dbraw/zinc/94/50/85/797945085.db2.gz SHWWJCDGBJKLNE-CQSZACIVSA-N 1 3 311.495 2.417 20 0 DEADHO CCN(Cc1ccsc1)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156194563 797945088 /nfs/dbraw/zinc/94/50/88/797945088.db2.gz SHWWJCDGBJKLNE-CQSZACIVSA-N 1 3 311.495 2.417 20 0 DEADHO C[NH+](C)C[C@@]12C[C@@H]1CN(c1ncccc1CN1CCCC1)C2 ZINC001156401764 797993815 /nfs/dbraw/zinc/99/38/15/797993815.db2.gz KVYQUNBTQUHWKW-SJLPKXTDSA-N 1 3 300.450 2.065 20 0 DEADHO C[C@@H](c1ccccc1)N1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197037686 798141398 /nfs/dbraw/zinc/14/13/98/798141398.db2.gz QGQRSQUTTFPKLB-INIZCTEOSA-N 1 3 303.450 2.234 20 0 DEADHO N=C(NCCCC[NH3+])Nc1nc(Cl)nc2cccc(F)c21 ZINC001157094462 798143220 /nfs/dbraw/zinc/14/32/20/798143220.db2.gz QGLADZJDUMQHGQ-UHFFFAOYSA-N 1 3 310.764 2.097 20 0 DEADHO CCC[NH+]1C[C@H]2CN(c3ccc(CN(C)C4CC4)cn3)C[C@@H]2C1 ZINC001157700102 798261676 /nfs/dbraw/zinc/26/16/76/798261676.db2.gz NXCMIVCXKWHLNN-IRXDYDNUSA-N 1 3 314.477 2.454 20 0 DEADHO CC(C)c1cncnc1N1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001157838212 798290439 /nfs/dbraw/zinc/29/04/39/798290439.db2.gz SKEBAZWBPSKHGZ-UHFFFAOYSA-N 1 3 317.481 2.064 20 0 DEADHO CN[C@H](C(=O)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1)c1ccccc1 ZINC001158337265 798386624 /nfs/dbraw/zinc/38/66/24/798386624.db2.gz SEVOIPAWNHRVGJ-OTWHNJEPSA-N 1 3 321.424 2.045 20 0 DEADHO CCOc1ccc(N(C2CC[NH2+]CC2)C2CCN(C)CC2)nc1 ZINC001158574730 798433320 /nfs/dbraw/zinc/43/33/20/798433320.db2.gz DEXRBKYFOMRWJB-UHFFFAOYSA-N 1 3 318.465 2.133 20 0 DEADHO CN(C)[C@H](C(=O)NCCC[NH2+]CCCC1CCCC1)C1CC1 ZINC001159917479 798625979 /nfs/dbraw/zinc/62/59/79/798625979.db2.gz XFJIHLZWUIDZQY-KRWDZBQOSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C)c1ccccc1F ZINC001159932619 798628081 /nfs/dbraw/zinc/62/80/81/798628081.db2.gz SZVFJQULLIMBDN-CXAGYDPISA-N 1 3 321.440 2.323 20 0 DEADHO C[C@H]([NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C)c1ccccc1F ZINC001159932621 798628330 /nfs/dbraw/zinc/62/83/30/798628330.db2.gz SZVFJQULLIMBDN-GUYCJALGSA-N 1 3 321.440 2.323 20 0 DEADHO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ncc4c(n3)CCNC4)c2c1 ZINC001160004775 798638786 /nfs/dbraw/zinc/63/87/86/798638786.db2.gz WYKRXCWHIZUHDU-CYBMUJFWSA-N 1 3 321.428 2.264 20 0 DEADHO CC(C)=CC[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001160359869 798678914 /nfs/dbraw/zinc/67/89/14/798678914.db2.gz DNIYZVCYOBKSRP-GOSISDBHSA-N 1 3 319.493 2.431 20 0 DEADHO CC(C)=CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001160359869 798678917 /nfs/dbraw/zinc/67/89/17/798678917.db2.gz DNIYZVCYOBKSRP-GOSISDBHSA-N 1 3 319.493 2.431 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CC[C@@H](c2ccccc2F)C1 ZINC001160535444 798702085 /nfs/dbraw/zinc/70/20/85/798702085.db2.gz RTLZHLHRNQURLQ-PBHICJAKSA-N 1 3 321.440 2.201 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N(C)CCc1ccc(F)cc1 ZINC001160597380 798710583 /nfs/dbraw/zinc/71/05/83/798710583.db2.gz SBWKFWXQMXQJOF-KRWDZBQOSA-N 1 3 323.456 2.322 20 0 DEADHO CC(C)CCC[NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001201052637 798711225 /nfs/dbraw/zinc/71/12/25/798711225.db2.gz GZIDHAKYIHXNDF-KRWDZBQOSA-N 1 3 309.498 2.343 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]CC2CCCC2)CC1 ZINC001201313740 798738878 /nfs/dbraw/zinc/73/88/78/798738878.db2.gz GPVAAMLXULBLAX-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC2=CC[N@H+](CCC3CC3)CC2)C1 ZINC001161212813 798811459 /nfs/dbraw/zinc/81/14/59/798811459.db2.gz BASVXSRYUCHCQU-MRXNPFEDSA-N 1 3 319.493 2.267 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC2=CC[N@@H+](CCC3CC3)CC2)C1 ZINC001161212813 798811463 /nfs/dbraw/zinc/81/14/63/798811463.db2.gz BASVXSRYUCHCQU-MRXNPFEDSA-N 1 3 319.493 2.267 20 0 DEADHO CC(C)N(C(=O)[C@H]1CCC[C@@H](c2ccccc2)N1)[C@H]1CC[NH2+]C1 ZINC001161352572 798834838 /nfs/dbraw/zinc/83/48/38/798834838.db2.gz CRWAPNRWBPZMPH-OKZBNKHCSA-N 1 3 315.461 2.469 20 0 DEADHO C[NH+](C)CCOCc1ncn2c1CN(CC1CCCC1)CCC2 ZINC001202167813 798835518 /nfs/dbraw/zinc/83/55/18/798835518.db2.gz VRVPFQCMEOYSPJ-UHFFFAOYSA-N 1 3 320.481 2.357 20 0 DEADHO Cc1ccc([C@@H](C)C(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)cc1 ZINC001161443241 798861412 /nfs/dbraw/zinc/86/14/12/798861412.db2.gz NSLNCQIFEISLIA-AEFFLSMTSA-N 1 3 317.477 2.241 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CC1 ZINC001110736590 798998758 /nfs/dbraw/zinc/99/87/58/798998758.db2.gz DOZYERXKPJTFFY-OAGGEKHMSA-N 1 3 307.482 2.238 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1 ZINC001110736590 798998765 /nfs/dbraw/zinc/99/87/65/798998765.db2.gz DOZYERXKPJTFFY-OAGGEKHMSA-N 1 3 307.482 2.238 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC(C)C)C[C@H]21 ZINC001114367901 799072694 /nfs/dbraw/zinc/07/26/94/799072694.db2.gz BBZJJPNFFUAYCQ-XDNAFOTISA-N 1 3 321.509 2.343 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC(C)C)C[C@H]21 ZINC001114367901 799072701 /nfs/dbraw/zinc/07/27/01/799072701.db2.gz BBZJJPNFFUAYCQ-XDNAFOTISA-N 1 3 321.509 2.343 20 0 DEADHO C[C@@H]1C[NH2+]CCC[C@H]1CNc1ccc(N2CCN(C)CC2)cc1 ZINC001162465477 799095009 /nfs/dbraw/zinc/09/50/09/799095009.db2.gz HHEXQOKHHWJWQR-SJORKVTESA-N 1 3 316.493 2.486 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CC[NH2+]CC1CC1 ZINC000717200621 799258832 /nfs/dbraw/zinc/25/88/32/799258832.db2.gz NJEVMNJOPICCDV-CRAIPNDOSA-N 1 3 315.461 2.013 20 0 DEADHO Cc1nc2ccc(NC[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)cc2[nH]1 ZINC001163279550 799296946 /nfs/dbraw/zinc/29/69/46/799296946.db2.gz NDTLTDRCGDGIGR-SUMWQHHRSA-N 1 3 300.406 2.442 20 0 DEADHO COc1cccc([C@H](C[NH3+])Nc2cc(CN(C)C)ccn2)c1 ZINC001163311761 799307096 /nfs/dbraw/zinc/30/70/96/799307096.db2.gz FPIBQVPFSWQENZ-INIZCTEOSA-N 1 3 300.406 2.264 20 0 DEADHO C[C@@H]1c2ccc(NCC3(N(C)C)CC[NH+](C)CC3)cc2NC1=O ZINC001164211748 799539273 /nfs/dbraw/zinc/53/92/73/799539273.db2.gz RLNAOSUNQDAYEY-CYBMUJFWSA-N 1 3 316.449 2.180 20 0 DEADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001095424284 799589231 /nfs/dbraw/zinc/58/92/31/799589231.db2.gz LFYODMARFSSYBF-BDXSIMOUSA-N 1 3 317.477 2.016 20 0 DEADHO CC[NH+]1CCC(N(C)c2cc(Cl)nc3c2CCNC3)CC1 ZINC001165068036 799644588 /nfs/dbraw/zinc/64/45/88/799644588.db2.gz MRWRGWJGZYUJCP-UHFFFAOYSA-N 1 3 308.857 2.301 20 0 DEADHO Cc1nc(N(C)C)cc(N2CCCC[C@@H]2C2CC[NH2+]CC2)n1 ZINC001165320815 799703578 /nfs/dbraw/zinc/70/35/78/799703578.db2.gz UTYNCHCAVVPPCA-OAHLLOKOSA-N 1 3 303.454 2.210 20 0 DEADHO Cc1cc(C)cc(C[NH2+]CCCNC(=O)CN2CCC[C@@H]2C)c1 ZINC001166627060 799905191 /nfs/dbraw/zinc/90/51/91/799905191.db2.gz PABZAENLIRSBDL-KRWDZBQOSA-N 1 3 317.477 2.384 20 0 DEADHO C[C@H]([NH2+]CCCNC(=O)CN1CC[C@H](C)C1)c1ccc(F)cc1 ZINC001166678912 799919906 /nfs/dbraw/zinc/91/99/06/799919906.db2.gz ZAIKDDUAVDIGGS-GJZGRUSLSA-N 1 3 321.440 2.324 20 0 DEADHO CN(CC(=O)NCCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)CC(C)(C)C ZINC001166744200 799938128 /nfs/dbraw/zinc/93/81/28/799938128.db2.gz LTUHZCHUFHCNDO-IXDOHACOSA-N 1 3 323.525 2.496 20 0 DEADHO CN(CC(=O)NCCC[NH2+]CC1CC(C)(C)C1)CC(C)(C)C ZINC001166744181 799938658 /nfs/dbraw/zinc/93/86/58/799938658.db2.gz LGAIRIQPBQHJOZ-UHFFFAOYSA-N 1 3 311.514 2.496 20 0 DEADHO Cc1ccc(NC(=O)COC2CC[NH+](C)CC2)c(CN(C)C)c1 ZINC000932808577 799939397 /nfs/dbraw/zinc/93/93/97/799939397.db2.gz RISCRTJPNCUZLE-UHFFFAOYSA-N 1 3 319.449 2.106 20 0 DEADHO COc1ccc(C[C@](C)(CO)NCCC[NH+]2CCCCC2)cc1 ZINC000933428737 800092389 /nfs/dbraw/zinc/09/23/89/800092389.db2.gz OYARVVXUVXKHOI-LJQANCHMSA-N 1 3 320.477 2.454 20 0 DEADHO CCOc1ccc(CN2CCC[C@](O)(C[NH3+])CC2)c(Cl)c1 ZINC001205248684 800329445 /nfs/dbraw/zinc/32/94/45/800329445.db2.gz RKCASVHVWYZRET-MRXNPFEDSA-N 1 3 312.841 2.414 20 0 DEADHO CCCCOc1ncc(CN2CCC[C@@](O)(C[NH3+])CC2)cc1C ZINC001205249728 800330024 /nfs/dbraw/zinc/33/00/24/800330024.db2.gz ZBOFBOYRCULNPK-SFHVURJKSA-N 1 3 321.465 2.245 20 0 DEADHO COc1cc(CN2CCC[C@@](F)(C[NH3+])CC2)cc(F)c1O ZINC001205546929 800373761 /nfs/dbraw/zinc/37/37/61/800373761.db2.gz ZKTOLKJLHFFGBG-HNNXBMFYSA-N 1 3 300.349 2.193 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC)C1 ZINC001205678786 800400110 /nfs/dbraw/zinc/40/01/10/800400110.db2.gz UGJZDKCEYRZAOP-DOTOQJQBSA-N 1 3 321.440 2.071 20 0 DEADHO CCOC(=O)[C@H]1CC[C@H](CN2CCC(F)(F)[C@@H](C[NH3+])C2)CC1 ZINC001205734190 800411083 /nfs/dbraw/zinc/41/10/83/800411083.db2.gz CEUFIXQRXUDPMU-IHRRRGAJSA-N 1 3 318.408 2.272 20 0 DEADHO CCOc1ccc(CC[N@H+](C)C[C@H](O)CN(C)C(C)C)cc1 ZINC000934720195 800435784 /nfs/dbraw/zinc/43/57/84/800435784.db2.gz LRNAGPRLGCXQFH-KRWDZBQOSA-N 1 3 308.466 2.261 20 0 DEADHO CCOc1ccc(CC[N@@H+](C)C[C@H](O)CN(C)C(C)C)cc1 ZINC000934720195 800435786 /nfs/dbraw/zinc/43/57/86/800435786.db2.gz LRNAGPRLGCXQFH-KRWDZBQOSA-N 1 3 308.466 2.261 20 0 DEADHO COC(=O)c1cc(F)ccc1CN1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206036788 800462581 /nfs/dbraw/zinc/46/25/81/800462581.db2.gz PXAFOUIIYOBHCH-QWHCGFSZSA-N 1 3 308.397 2.419 20 0 DEADHO C[NH+](C)CCC(=O)N1CCC(CNC/C(Cl)=C/Cl)CC1 ZINC001206153459 800480317 /nfs/dbraw/zinc/48/03/17/800480317.db2.gz XWGQXPOFLQQRCE-LCYFTJDESA-N 1 3 322.280 2.085 20 0 DEADHO C[NH+]1CCC(CCN2CC(CNC(=O)OC(C)(C)C)C2)CC1 ZINC001207481526 800763974 /nfs/dbraw/zinc/76/39/74/800763974.db2.gz KCKHMDZVERTCTJ-UHFFFAOYSA-N 1 3 311.470 2.175 20 0 DEADHO CN(C)C1CC[NH+](C[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 ZINC001207773556 800830019 /nfs/dbraw/zinc/83/00/19/800830019.db2.gz JRQGGBPPDIJCHI-PHZGNYQRSA-N 1 3 323.481 2.125 20 0 DEADHO C[C@]12CN(CCC3OCCO3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000686614113 800847153 /nfs/dbraw/zinc/84/71/53/800847153.db2.gz FJCVGSUZUBZYGL-PKOBYXMFSA-N 1 3 316.445 2.203 20 0 DEADHO C[C@]12CN(CCC3OCCO3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000686614113 800847159 /nfs/dbraw/zinc/84/71/59/800847159.db2.gz FJCVGSUZUBZYGL-PKOBYXMFSA-N 1 3 316.445 2.203 20 0 DEADHO CCN([C@H]1CCOC1)C1CC[NH+](CC2(C)CCOCC2)CC1 ZINC001207968674 800880720 /nfs/dbraw/zinc/88/07/20/800880720.db2.gz CLTZWBKEXAUKDE-KRWDZBQOSA-N 1 3 310.482 2.378 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1)C1CC1 ZINC001208334159 800958111 /nfs/dbraw/zinc/95/81/11/800958111.db2.gz GLXWJBCDDYIABQ-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CN(CC(=O)N1CCC[C@@H]([NH2+]CCC(F)(F)F)C1)C1CCC1 ZINC001208339642 800959926 /nfs/dbraw/zinc/95/99/26/800959926.db2.gz BWIBWGZOFSKYGJ-GFCCVEGCSA-N 1 3 321.387 2.004 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C)N(C)C ZINC001208530123 801005317 /nfs/dbraw/zinc/00/53/17/801005317.db2.gz GRVKNRWOPPWKOK-BZUAXINKSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C)N(C)C ZINC001208530123 801005321 /nfs/dbraw/zinc/00/53/21/801005321.db2.gz GRVKNRWOPPWKOK-BZUAXINKSA-N 1 3 311.514 2.445 20 0 DEADHO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C[C@H]3CCC[N@@H+](C)C3)O2)n1 ZINC001208614769 801036026 /nfs/dbraw/zinc/03/60/26/801036026.db2.gz UMRJPHVZHUDAKR-JJXSEGSLSA-N 1 3 320.437 2.014 20 0 DEADHO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C[C@H]3CCC[N@H+](C)C3)O2)n1 ZINC001208614769 801036034 /nfs/dbraw/zinc/03/60/34/801036034.db2.gz UMRJPHVZHUDAKR-JJXSEGSLSA-N 1 3 320.437 2.014 20 0 DEADHO CCCN1C[C@@H]2C[NH+](CC3CCC4(CC3)OCCO4)C[C@H]2C1 ZINC001209103869 801129494 /nfs/dbraw/zinc/12/94/94/801129494.db2.gz NLEHUYUAVOZNTN-IAGOWNOFSA-N 1 3 308.466 2.193 20 0 DEADHO CCC[NH+]1C[C@@H]2CN(CC3CCC4(CC3)OCCO4)C[C@H]2C1 ZINC001209103869 801129499 /nfs/dbraw/zinc/12/94/99/801129499.db2.gz NLEHUYUAVOZNTN-IAGOWNOFSA-N 1 3 308.466 2.193 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001209633448 801240778 /nfs/dbraw/zinc/24/07/78/801240778.db2.gz VIFXOPRPGYMAKJ-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/Cl ZINC001230274842 801378597 /nfs/dbraw/zinc/37/85/97/801378597.db2.gz OPJSTKOJNMBLOM-VAIDBEGPSA-N 1 3 301.862 2.096 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[N@H+](Cc1cccnc1)C(C)C ZINC001230932511 801532005 /nfs/dbraw/zinc/53/20/05/801532005.db2.gz XMDGLVHKTHPDCM-UHFFFAOYSA-N 1 3 320.481 2.139 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[N@@H+](Cc1cccnc1)C(C)C ZINC001230932511 801532008 /nfs/dbraw/zinc/53/20/08/801532008.db2.gz XMDGLVHKTHPDCM-UHFFFAOYSA-N 1 3 320.481 2.139 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001211267992 801540937 /nfs/dbraw/zinc/54/09/37/801540937.db2.gz FVIOXTKOAVVTBD-KRWDZBQOSA-N 1 3 321.440 2.247 20 0 DEADHO [NH3+]CC1(CC(=O)Nc2cc([C@H]3CCCN3)no2)CCCCC1 ZINC001218713944 802231893 /nfs/dbraw/zinc/23/18/93/802231893.db2.gz VMBHQDDQDNTICG-GFCCVEGCSA-N 1 3 306.410 2.337 20 0 DEADHO CCc1ccc(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)c(O)c1 ZINC001218948097 802262573 /nfs/dbraw/zinc/26/25/73/802262573.db2.gz AYMWIORQTAXGLC-AWEZNQCLSA-N 1 3 307.438 2.389 20 0 DEADHO N[C@H](C(=O)Nc1cccc2c(Cl)ccnc12)C1CC[NH2+]CC1 ZINC001219114638 802284741 /nfs/dbraw/zinc/28/47/41/802284741.db2.gz LMUWHQVPIKUMTF-AWEZNQCLSA-N 1 3 318.808 2.154 20 0 DEADHO N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001220149846 802416478 /nfs/dbraw/zinc/41/64/78/802416478.db2.gz FNHHYOUVTWOQLE-IPELMVKDSA-N 1 3 323.440 2.077 20 0 DEADHO C[C@@H](NC(=O)[C@@H](N)CCCC[NH+](C)C)c1cc(F)cc(F)c1 ZINC001220375296 802450048 /nfs/dbraw/zinc/45/00/48/802450048.db2.gz MMFPRTWPRBWOMB-ABAIWWIYSA-N 1 3 313.392 2.201 20 0 DEADHO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C(=O)[C@@H]1C[C@@H](F)CCN1 ZINC001220384627 802452500 /nfs/dbraw/zinc/45/25/00/802452500.db2.gz ZIMLQQZEGSGZRA-QEJZJMRPSA-N 1 3 305.397 2.212 20 0 DEADHO N[C@H](CC(=O)N[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC001220886678 802507966 /nfs/dbraw/zinc/50/79/66/802507966.db2.gz JRPJUGHAYVJSQX-GXFFZTMASA-N 1 3 316.232 2.252 20 0 DEADHO CC[C@@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)c1ccc(C)cc1C ZINC001220964990 802516332 /nfs/dbraw/zinc/51/63/32/802516332.db2.gz WTXKDFHTKKHHAT-IAGOWNOFSA-N 1 3 303.450 2.198 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221030606 802522088 /nfs/dbraw/zinc/52/20/88/802522088.db2.gz GWMQPWZSBVEJCX-SFHVURJKSA-N 1 3 321.440 2.323 20 0 DEADHO CN(C)[C@H](CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+])c1ccccc1 ZINC000316999762 802531670 /nfs/dbraw/zinc/53/16/70/802531670.db2.gz NBUWVSGBSUNALF-IXDOHACOSA-N 1 3 303.450 2.313 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CC(C)C)[C@H]2C1 ZINC001223023784 802758985 /nfs/dbraw/zinc/75/89/85/802758985.db2.gz OQRBUKYGCIGFTI-CVEARBPZSA-N 1 3 309.498 2.296 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](CC(C)C)[C@H]2C1 ZINC001223023784 802758988 /nfs/dbraw/zinc/75/89/88/802758988.db2.gz OQRBUKYGCIGFTI-CVEARBPZSA-N 1 3 309.498 2.296 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001223525290 802798662 /nfs/dbraw/zinc/79/86/62/802798662.db2.gz QVUKGIYYHROMOJ-WBVHZDCISA-N 1 3 311.514 2.447 20 0 DEADHO C[C@H](F)CC[NH+]1CCC(CNC(=O)CN2CCC[C@H]2C)CC1 ZINC001224535170 802879109 /nfs/dbraw/zinc/87/91/09/802879109.db2.gz DIGHHSLCLYHKIL-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO CC1CC(C[NH+]2CCC(CNC(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001224537113 802880970 /nfs/dbraw/zinc/88/09/70/802880970.db2.gz QBYQSLVJQXFNIZ-PQUAAJSLSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1)N(C)C ZINC001370016760 1149348949 /nfs/dbraw/zinc/34/89/49/1149348949.db2.gz MRQJUZOGKRLDJC-DLBZAZTESA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1)N(C)C ZINC001370016760 1149348958 /nfs/dbraw/zinc/34/89/58/1149348958.db2.gz MRQJUZOGKRLDJC-DLBZAZTESA-N 1 3 321.509 2.343 20 0 DEADHO CCCN(C(=O)[C@@H](CC)N(C)C)C1CC[NH+](CCCF)CC1 ZINC001370101212 1149389086 /nfs/dbraw/zinc/38/90/86/1149389086.db2.gz NVNCJKCZEKLBHK-MRXNPFEDSA-N 1 3 315.477 2.389 20 0 DEADHO CC(C)CCC[N@@H+]1CC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001420543772 1169757916 /nfs/dbraw/zinc/75/79/16/1169757916.db2.gz LSEYGVPBQMOVMD-DLBZAZTESA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)CCC[N@H+]1CC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001420543772 1169757925 /nfs/dbraw/zinc/75/79/25/1169757925.db2.gz LSEYGVPBQMOVMD-DLBZAZTESA-N 1 3 309.498 2.203 20 0 DEADHO CCC[N@@H+]1CC[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001420544401 1169760880 /nfs/dbraw/zinc/76/08/80/1169760880.db2.gz MTPSIJXHXQCMJX-YOEHRIQHSA-N 1 3 313.461 2.047 20 0 DEADHO CCC[N@H+]1CC[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001420544401 1169760891 /nfs/dbraw/zinc/76/08/91/1169760891.db2.gz MTPSIJXHXQCMJX-YOEHRIQHSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](COC(=O)C2CCCN(C3CC3)C2=O)C1 ZINC001345072024 1150863080 /nfs/dbraw/zinc/86/30/80/1150863080.db2.gz SUUWYRBISWXBHF-GDBMZVCRSA-N 1 3 322.449 2.051 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](COC(=O)C2CCCN(C3CC3)C2=O)C1 ZINC001345072024 1150863084 /nfs/dbraw/zinc/86/30/84/1150863084.db2.gz SUUWYRBISWXBHF-GDBMZVCRSA-N 1 3 322.449 2.051 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001368939465 1148792478 /nfs/dbraw/zinc/79/24/78/1148792478.db2.gz HXKFNCANUKBWDM-AEFFLSMTSA-N 1 3 317.477 2.496 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001368939465 1148792493 /nfs/dbraw/zinc/79/24/93/1148792493.db2.gz HXKFNCANUKBWDM-AEFFLSMTSA-N 1 3 317.477 2.496 20 0 DEADHO C[C@@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001368493682 1148466667 /nfs/dbraw/zinc/46/66/67/1148466667.db2.gz AIGZKPZPLLXAND-KFWWJZLASA-N 1 3 313.461 2.093 20 0 DEADHO CC/C=C\CC[N@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001328796704 1148836522 /nfs/dbraw/zinc/83/65/22/1148836522.db2.gz JQGXLHHGTAUPLD-VGOKWCNXSA-N 1 3 307.482 2.361 20 0 DEADHO CC/C=C\CC[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001328796704 1148836524 /nfs/dbraw/zinc/83/65/24/1148836524.db2.gz JQGXLHHGTAUPLD-VGOKWCNXSA-N 1 3 307.482 2.361 20 0 DEADHO C[C@H](CC[NH+](C)C)C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC001450689198 1056448386 /nfs/dbraw/zinc/44/83/86/1056448386.db2.gz HVRAYKJBHLFJMA-CJNGLKHVSA-N 1 3 309.429 2.132 20 0 DEADHO CN1C[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)C(C)(C)C1 ZINC001456161910 1057823660 /nfs/dbraw/zinc/82/36/60/1057823660.db2.gz ZCBLIAFQJUVCNA-QGZVFWFLSA-N 1 3 315.461 2.352 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001499945371 1058394301 /nfs/dbraw/zinc/39/43/01/1058394301.db2.gz VLAUOZWBYMWKEW-KRWDZBQOSA-N 1 3 307.482 2.409 20 0 DEADHO CCN1CCN(CCC[NH2+]Cc2cccc3cnccc32)CC1 ZINC001461054739 1058577539 /nfs/dbraw/zinc/57/75/39/1058577539.db2.gz IHAIKOBXVDDGAG-UHFFFAOYSA-N 1 3 312.461 2.352 20 0 DEADHO C[C@@H](C(=O)N[C@]1(C)CC[N@H+](CCCF)C1)N1CCCCCC1 ZINC001500265678 1058649684 /nfs/dbraw/zinc/64/96/84/1058649684.db2.gz SGAPVQQACCKTNF-DOTOQJQBSA-N 1 3 313.461 2.191 20 0 DEADHO C[C@@H](C(=O)N[C@]1(C)CC[N@@H+](CCCF)C1)N1CCCCCC1 ZINC001500265678 1058649701 /nfs/dbraw/zinc/64/97/01/1058649701.db2.gz SGAPVQQACCKTNF-DOTOQJQBSA-N 1 3 313.461 2.191 20 0 DEADHO CC[NH+]1CCC(CN2CCN([C@@H](C)c3cccnc3)CC2)CC1 ZINC001461966231 1058746181 /nfs/dbraw/zinc/74/61/81/1058746181.db2.gz XXMZLRFLTCCDAV-KRWDZBQOSA-N 1 3 316.493 2.492 20 0 DEADHO CC[C@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)[C@@H](O)C(C)C ZINC001462348481 1058805874 /nfs/dbraw/zinc/80/58/74/1058805874.db2.gz OXGQMHOERNSKIZ-SAGYGOJTSA-N 1 3 312.498 2.405 20 0 DEADHO CN(CC(=O)N(CC[NH+](C)C)CC1CCCCC1)C1CCC1 ZINC001464479297 1059140647 /nfs/dbraw/zinc/14/06/47/1059140647.db2.gz UCBXTEAGCIHJMW-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@H](CC[NH+](C)C)C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC001465170720 1059258969 /nfs/dbraw/zinc/25/89/69/1059258969.db2.gz VTLWXKQEJSPWTB-CGZBRXJRSA-N 1 3 309.498 2.297 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2ccsc2)C1 ZINC001501548010 1059541064 /nfs/dbraw/zinc/54/10/64/1059541064.db2.gz ONRDPRQSVVTFBA-HOCLYGCPSA-N 1 3 321.490 2.171 20 0 DEADHO CC1CC(C[N@@H+]2CCC[C@H](NC(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001502126165 1059966734 /nfs/dbraw/zinc/96/67/34/1059966734.db2.gz RMHVMCJXGTWCEE-JCYILVPMSA-N 1 3 321.509 2.488 20 0 DEADHO CC1CC(C[N@H+]2CCC[C@H](NC(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001502126165 1059966756 /nfs/dbraw/zinc/96/67/56/1059966756.db2.gz RMHVMCJXGTWCEE-JCYILVPMSA-N 1 3 321.509 2.488 20 0 DEADHO C[NH+](C)CCC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2)CC1 ZINC001502135537 1059982703 /nfs/dbraw/zinc/98/27/03/1059982703.db2.gz MLSMELYFJWTWOS-KRWDZBQOSA-N 1 3 321.440 2.248 20 0 DEADHO CC1CC(C[N@@H+]2CC[C@H]2CN(C)C(=O)C(C)(C)N2CCCC2)C1 ZINC001479236525 1061310075 /nfs/dbraw/zinc/31/00/75/1061310075.db2.gz APFTUVVRBNCUNT-JCYILVPMSA-N 1 3 321.509 2.440 20 0 DEADHO CC1CC(C[N@H+]2CC[C@H]2CN(C)C(=O)C(C)(C)N2CCCC2)C1 ZINC001479236525 1061310092 /nfs/dbraw/zinc/31/00/92/1061310092.db2.gz APFTUVVRBNCUNT-JCYILVPMSA-N 1 3 321.509 2.440 20 0 DEADHO CC1CC(CN2CC[C@H]2CN(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001479236525 1061310109 /nfs/dbraw/zinc/31/01/09/1061310109.db2.gz APFTUVVRBNCUNT-JCYILVPMSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC[C@@H](C)F ZINC001479587034 1061511042 /nfs/dbraw/zinc/51/10/42/1061511042.db2.gz WPEMLRZFPUPFGY-OAGGEKHMSA-N 1 3 315.477 2.291 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1[C@@H]2CCC[N@H+](CC3CC3)[C@H]2C1(C)C ZINC001479614599 1061525087 /nfs/dbraw/zinc/52/50/87/1061525087.db2.gz RPWFFSWBSCBFQG-CGTJXYLNSA-N 1 3 321.509 2.342 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1[C@@H]2CCC[N@@H+](CC3CC3)[C@H]2C1(C)C ZINC001479614599 1061525102 /nfs/dbraw/zinc/52/51/02/1061525102.db2.gz RPWFFSWBSCBFQG-CGTJXYLNSA-N 1 3 321.509 2.342 20 0 DEADHO C[C@H](NC(=O)CN1CC[C@@H](C)C1)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC001506657156 1062245143 /nfs/dbraw/zinc/24/51/43/1062245143.db2.gz WSQOISIJPAXEPT-CABCVRRESA-N 1 3 321.509 2.201 20 0 DEADHO C[C@H](NC(=O)[C@H](C)N1CCCCCC1)C1C[NH+](CCC2CC2)C1 ZINC001506661995 1062254191 /nfs/dbraw/zinc/25/41/91/1062254191.db2.gz ROEWJRWQUZTNQZ-HOTGVXAUSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](C(=O)N[C@@H](C)C1C[NH+](CCC2CC2)C1)N1CCCCCC1 ZINC001506661997 1062255168 /nfs/dbraw/zinc/25/51/68/1062255168.db2.gz ROEWJRWQUZTNQZ-JKSUJKDBSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001480085440 1062299945 /nfs/dbraw/zinc/29/99/45/1062299945.db2.gz RKAUTTPMUGEEHI-MSOLQXFVSA-N 1 3 321.509 2.465 20 0 DEADHO CC(C)=CC[N@H+](C)C[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001480085440 1062299966 /nfs/dbraw/zinc/29/99/66/1062299966.db2.gz RKAUTTPMUGEEHI-MSOLQXFVSA-N 1 3 321.509 2.465 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2C)C1)N(C)C ZINC001480158498 1062405564 /nfs/dbraw/zinc/40/55/64/1062405564.db2.gz QLKRUCODUGKHRC-ULQDDVLXSA-N 1 3 321.440 2.211 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCCC(C)(C)C)C2)C1 ZINC001480224796 1062485408 /nfs/dbraw/zinc/48/54/08/1062485408.db2.gz UPRIRZNOPYAXHO-OAGGEKHMSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](C)N1CCCCCC1 ZINC001507026245 1062690041 /nfs/dbraw/zinc/69/00/41/1062690041.db2.gz GRZKZQODANBEOC-RDJZCZTQSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]Cc1cccc(F)c1 ZINC001507087614 1062809805 /nfs/dbraw/zinc/80/98/05/1062809805.db2.gz FUDZGKUGAHSSPI-CQSZACIVSA-N 1 3 321.440 2.247 20 0 DEADHO Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)CN2CC[C@H](C)C2)cs1 ZINC001507127371 1062882409 /nfs/dbraw/zinc/88/24/09/1062882409.db2.gz PFDYXCFUEWRASK-UONOGXRCSA-N 1 3 323.506 2.335 20 0 DEADHO C[C@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001507127847 1062884980 /nfs/dbraw/zinc/88/49/80/1062884980.db2.gz RSULGSKAGNNPQG-HUUCEWRRSA-N 1 3 309.498 2.201 20 0 DEADHO CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)CCC)C[C@H]21 ZINC001507361417 1063152511 /nfs/dbraw/zinc/15/25/11/1063152511.db2.gz BDHDXORNGBXBSG-GVDBMIGSSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CC1CC2(CCC2)C1 ZINC001480792284 1063351568 /nfs/dbraw/zinc/35/15/68/1063351568.db2.gz KJQSEDYGZGTDLP-JKSUJKDBSA-N 1 3 321.509 2.393 20 0 DEADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1cc(F)ccc1C ZINC001493058246 1063522848 /nfs/dbraw/zinc/52/28/48/1063522848.db2.gz IACZEFOXFDNYMS-HNNXBMFYSA-N 1 3 321.440 2.024 20 0 DEADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1cc(F)ccc1C ZINC001493058246 1063522865 /nfs/dbraw/zinc/52/28/65/1063522865.db2.gz IACZEFOXFDNYMS-HNNXBMFYSA-N 1 3 321.440 2.024 20 0 DEADHO C[C@H](NCCN(C)C(=O)C1CC[NH+](C)CC1)c1ccccc1F ZINC001493682723 1063915282 /nfs/dbraw/zinc/91/52/82/1063915282.db2.gz ZYIUMTPJOAQXHQ-AWEZNQCLSA-N 1 3 321.440 2.277 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH2+]CCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001493694281 1063921597 /nfs/dbraw/zinc/92/15/97/1063921597.db2.gz DAIVEUANWDIFCX-DOTOQJQBSA-N 1 3 317.477 2.446 20 0 DEADHO Cc1ccccc1C[NH2+]CCN(C)C(=O)CN(C)C1CCC1 ZINC001567509179 1064230352 /nfs/dbraw/zinc/23/03/52/1064230352.db2.gz VSZNQIMMWLDCTK-UHFFFAOYSA-N 1 3 303.450 2.027 20 0 DEADHO CC[C@@H](F)CNCCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001567571071 1064258755 /nfs/dbraw/zinc/25/87/55/1064258755.db2.gz MSYNWZYZRBZEJU-HUUCEWRRSA-N 1 3 301.450 2.047 20 0 DEADHO CN(CC[NH2+]Cc1ccccc1C1CC1)C(=O)CN1CCCC1 ZINC001567606516 1064275753 /nfs/dbraw/zinc/27/57/53/1064275753.db2.gz PJYBWVWFSZYEOJ-UHFFFAOYSA-N 1 3 315.461 2.208 20 0 DEADHO Cc1ccc(CN2CC(CNC(=O)CCC[NH+](C)C)C2)cc1C ZINC001494586387 1064336636 /nfs/dbraw/zinc/33/66/36/1064336636.db2.gz UWRSDFKLAOKJLQ-UHFFFAOYSA-N 1 3 317.477 2.193 20 0 DEADHO CC/C=C\CC[NH2+][C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001567757090 1064405941 /nfs/dbraw/zinc/40/59/41/1064405941.db2.gz AYFLPLWVZLEFFC-UIZHIOIMSA-N 1 3 307.482 2.265 20 0 DEADHO CC/C=C\CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CCC)C1 ZINC001494709620 1064427394 /nfs/dbraw/zinc/42/73/94/1064427394.db2.gz KNZJMJXTYLHLLD-JOGGYFKDSA-N 1 3 307.482 2.408 20 0 DEADHO CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CCC)C1 ZINC001494709620 1064427400 /nfs/dbraw/zinc/42/74/00/1064427400.db2.gz KNZJMJXTYLHLLD-JOGGYFKDSA-N 1 3 307.482 2.408 20 0 DEADHO C[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)C[NH2+]CCC1CC1 ZINC001568196403 1064696962 /nfs/dbraw/zinc/69/69/62/1064696962.db2.gz FALJHUZMQMQVGW-JKSUJKDBSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@H](CNCC=C(Cl)Cl)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001568295596 1064762707 /nfs/dbraw/zinc/76/27/07/1064762707.db2.gz YSXSBLGCJCEXIM-LLVKDONJSA-N 1 3 322.280 2.084 20 0 DEADHO Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)CN2CC[C@H](C)C2)cs1 ZINC001495742947 1065088815 /nfs/dbraw/zinc/08/88/15/1065088815.db2.gz LSVQVLSJBWQHPE-UONOGXRCSA-N 1 3 323.506 2.240 20 0 DEADHO CC[C@@H](F)CNCCN(CC)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001568781956 1065114671 /nfs/dbraw/zinc/11/46/71/1065114671.db2.gz VZPWGDKWOALPOM-HZPDHXFCSA-N 1 3 315.477 2.436 20 0 DEADHO CC[C@@H](F)CNCCN(CC)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001568781956 1065114675 /nfs/dbraw/zinc/11/46/75/1065114675.db2.gz VZPWGDKWOALPOM-HZPDHXFCSA-N 1 3 315.477 2.436 20 0 DEADHO CCN(CC[NH2+]Cc1ccsc1)C(=O)CN1CCC(C)CC1 ZINC001568786419 1065118122 /nfs/dbraw/zinc/11/81/22/1065118122.db2.gz ZWQZNHMXAJLGJD-UHFFFAOYSA-N 1 3 323.506 2.418 20 0 DEADHO CC(C)[C@@H](C(=O)NC/C=C/CNCc1cccc(F)c1)[NH+](C)C ZINC001568867010 1065166247 /nfs/dbraw/zinc/16/62/47/1065166247.db2.gz ZNZSYKRGESXPFT-RTRPANQVSA-N 1 3 321.440 2.174 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC/C=C/C[NH2+]CC1CCCCC1 ZINC001568955182 1065213078 /nfs/dbraw/zinc/21/30/78/1065213078.db2.gz WRQLHMHUOPYOJM-AATRIKPKSA-N 1 3 304.438 2.103 20 0 DEADHO Cc1ccc(CC[NH2+]CCCN(C)C(=O)[C@H]2CCCN2C)cc1 ZINC001569189270 1065354405 /nfs/dbraw/zinc/35/44/05/1065354405.db2.gz YVNKRTIPYCUWTE-GOSISDBHSA-N 1 3 317.477 2.070 20 0 DEADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(CF)cc1 ZINC001496250411 1065365001 /nfs/dbraw/zinc/36/50/01/1065365001.db2.gz QUOIRVQMIMRARY-HNNXBMFYSA-N 1 3 323.456 2.433 20 0 DEADHO CC[C@H](C(=O)NC1(C)CC[NH+](CCCCCF)CC1)N(C)C ZINC001569573502 1065602458 /nfs/dbraw/zinc/60/24/58/1065602458.db2.gz VVVNVBQGQMRXKV-OAHLLOKOSA-N 1 3 315.477 2.437 20 0 DEADHO Cc1ccc(CC[N@@H+](C)CCN(C)C(=O)[C@@H]2CCCN2C)cc1 ZINC001496680698 1065642326 /nfs/dbraw/zinc/64/23/26/1065642326.db2.gz WPMWYVXAVVXOEA-SFHVURJKSA-N 1 3 317.477 2.022 20 0 DEADHO Cc1ccc(CC[N@H+](C)CCN(C)C(=O)[C@@H]2CCCN2C)cc1 ZINC001496680698 1065642334 /nfs/dbraw/zinc/64/23/34/1065642334.db2.gz WPMWYVXAVVXOEA-SFHVURJKSA-N 1 3 317.477 2.022 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccsc1)N(C)C ZINC001497205626 1065962227 /nfs/dbraw/zinc/96/22/27/1065962227.db2.gz LGSWIPLNVJCCBV-ZFWWWQNUSA-N 1 3 311.495 2.319 20 0 DEADHO CC(C)[C@H](C(=O)NC/C=C\C[NH2+]CC1CC(C)(C)C1)N(C)C ZINC001497671184 1066224160 /nfs/dbraw/zinc/22/41/60/1066224160.db2.gz FTYFYOODGMMUQN-XITLMJRVSA-N 1 3 309.498 2.271 20 0 DEADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)CC1(C[NH3+])CC1 ZINC001575422232 1066296733 /nfs/dbraw/zinc/29/67/33/1066296733.db2.gz GEEKLLDHIOEQAM-KRWDZBQOSA-N 1 3 317.477 2.388 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 ZINC001368604033 1148520786 /nfs/dbraw/zinc/52/07/86/1148520786.db2.gz FIEOFUJSEBWPKI-QAQDUYKDSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC001575697210 1066404115 /nfs/dbraw/zinc/40/41/15/1066404115.db2.gz RWGUCIIKSMMJJD-CYBMUJFWSA-N 1 3 302.422 2.142 20 0 DEADHO CC(C)[N@H+]1CC[C@H](CNC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC001575697210 1066404118 /nfs/dbraw/zinc/40/41/18/1066404118.db2.gz RWGUCIIKSMMJJD-CYBMUJFWSA-N 1 3 302.422 2.142 20 0 DEADHO C[C@H](c1cccc(Cl)c1)N(C)C[C@@H]1CC2(C[NH2+]C2)C(=O)O1 ZINC001576301327 1066554270 /nfs/dbraw/zinc/55/42/70/1066554270.db2.gz KVCDCYLIQKWQCK-RISCZKNCSA-N 1 3 308.809 2.238 20 0 DEADHO C[C@H](C[N@H+](C)CC1CCCC1)NC(=O)C(C)(C)N1CCCC1 ZINC001498355272 1066651222 /nfs/dbraw/zinc/65/12/22/1066651222.db2.gz HYYSICFCGJAUKX-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](C[N@@H+](C)CC1CCCC1)NC(=O)C(C)(C)N1CCCC1 ZINC001498355272 1066651227 /nfs/dbraw/zinc/65/12/27/1066651227.db2.gz HYYSICFCGJAUKX-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[N@H+](C)CC1CCCCC1 ZINC001498446837 1066712657 /nfs/dbraw/zinc/71/26/57/1066712657.db2.gz YYCMFXOMXWCDMD-CYBMUJFWSA-N 1 3 306.454 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[N@@H+](C)CC1CCCCC1 ZINC001498446837 1066712661 /nfs/dbraw/zinc/71/26/61/1066712661.db2.gz YYCMFXOMXWCDMD-CYBMUJFWSA-N 1 3 306.454 2.277 20 0 DEADHO CCC(CC)(C[NH3+])CN1CCC(Oc2ncc(C)cn2)CC1 ZINC001577050789 1066753788 /nfs/dbraw/zinc/75/37/88/1066753788.db2.gz DVGWLHWVQFLMRU-UHFFFAOYSA-N 1 3 306.454 2.393 20 0 DEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN[C@@H](C)[C@H]2C)C1 ZINC001577260539 1066799496 /nfs/dbraw/zinc/79/94/96/1066799496.db2.gz RRMNWWSCZULOSC-ARFHVFGLSA-N 1 3 324.513 2.279 20 0 DEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN[C@@H](C)[C@H]2C)C1 ZINC001577260539 1066799499 /nfs/dbraw/zinc/79/94/99/1066799499.db2.gz RRMNWWSCZULOSC-ARFHVFGLSA-N 1 3 324.513 2.279 20 0 DEADHO CCOC(=O)N1CCC[C@H]([C@H](C)N[C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC001577991206 1066961500 /nfs/dbraw/zinc/96/15/00/1066961500.db2.gz KANLUOXWRYZRGA-YHUYYLMFSA-N 1 3 311.470 2.364 20 0 DEADHO CN(C)c1cccc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)n1 ZINC001578427014 1067097516 /nfs/dbraw/zinc/09/75/16/1067097516.db2.gz LEQNLSYSXGWBLU-UAGQMJEPSA-N 1 3 318.465 2.008 20 0 DEADHO CN(CC(F)(F)F)C(=O)CN[C@H](CCC[NH3+])c1ccccc1 ZINC001578440694 1067102648 /nfs/dbraw/zinc/10/26/48/1067102648.db2.gz NWCHIFPSCXZASP-CYBMUJFWSA-N 1 3 317.355 2.077 20 0 DEADHO C[NH2+]CCOCCNCc1cnc(-c2ccccc2F)s1 ZINC001578709484 1067153546 /nfs/dbraw/zinc/15/35/46/1067153546.db2.gz GWTBYEODXQTHFR-UHFFFAOYSA-N 1 3 309.410 2.275 20 0 DEADHO COC(=O)C(C)(C)CCNCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC001578766487 1067166088 /nfs/dbraw/zinc/16/60/88/1067166088.db2.gz SIXIVLBQUMAKOV-UHFFFAOYSA-N 1 3 308.466 2.319 20 0 DEADHO COC(=O)C(C)(C)CC[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC001578766487 1067166089 /nfs/dbraw/zinc/16/60/89/1067166089.db2.gz SIXIVLBQUMAKOV-UHFFFAOYSA-N 1 3 308.466 2.319 20 0 DEADHO COC(=O)c1ccc2c(c1)[C@H](CNC[C@]13C[C@H]1C[NH2+]C3)CCC2 ZINC001578874101 1067186946 /nfs/dbraw/zinc/18/69/46/1067186946.db2.gz JXYXSUAVSSQLLJ-BXWFABGCSA-N 1 3 314.429 2.092 20 0 DEADHO COC(=O)c1ccc2cc(CCNC[C@]3(C)CC[NH2+]C3)oc2c1 ZINC001578874697 1067187828 /nfs/dbraw/zinc/18/78/28/1067187828.db2.gz HVRDXQIWYQWVSE-SFHVURJKSA-N 1 3 316.401 2.351 20 0 DEADHO CCC[N@H+](CC1CC1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001499530552 1067248914 /nfs/dbraw/zinc/24/89/14/1067248914.db2.gz SQZSEMMHCBGHTB-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[N@@H+](CC1CC1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001499530552 1067248918 /nfs/dbraw/zinc/24/89/18/1067248918.db2.gz SQZSEMMHCBGHTB-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO COc1ccc([C@@H](NC[C@@H](O)CC[NH3+])c2ccc(F)cc2)cc1 ZINC001579200203 1067256620 /nfs/dbraw/zinc/25/66/20/1067256620.db2.gz RNTZXVSTEAPDBH-WMZOPIPTSA-N 1 3 318.392 2.223 20 0 DEADHO CCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001499605741 1067275850 /nfs/dbraw/zinc/27/58/50/1067275850.db2.gz HDARSCIUEPLYQE-SJLPKXTDSA-N 1 3 309.498 2.441 20 0 DEADHO CCCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001499605741 1067275854 /nfs/dbraw/zinc/27/58/54/1067275854.db2.gz HDARSCIUEPLYQE-SJLPKXTDSA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@H](F)CN1CC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001499613882 1067278473 /nfs/dbraw/zinc/27/84/73/1067278473.db2.gz IMRVSWPMSPMPQX-RDJZCZTQSA-N 1 3 313.461 2.001 20 0 DEADHO COc1ccccc1[C@H](N)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001579301338 1067295473 /nfs/dbraw/zinc/29/54/73/1067295473.db2.gz KDBYUJHCDXLPFH-OAHLLOKOSA-N 1 3 319.449 2.076 20 0 DEADHO CSc1ccc([C@H](CNC(=O)C2([NH3+])CCC2)N(C)C)cc1 ZINC001579388403 1067324594 /nfs/dbraw/zinc/32/45/94/1067324594.db2.gz ZHSBHJRSKDJFHA-AWEZNQCLSA-N 1 3 307.463 2.009 20 0 DEADHO CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H](C)C1 ZINC001499849087 1067360276 /nfs/dbraw/zinc/36/02/76/1067360276.db2.gz RLTQVSIIMDNPMP-ZYOQUQOHSA-N 1 3 304.438 2.278 20 0 DEADHO Cc1cccc(CN2CC[C@@H](NC(=O)C[C@H]3CC[C@@H]([NH3+])C3)C2)c1 ZINC001579760659 1067418304 /nfs/dbraw/zinc/41/83/04/1067418304.db2.gz LJUUPUOQURGDSX-CGTJXYLNSA-N 1 3 315.461 2.203 20 0 DEADHO Cn1ccc(-c2nc(CNC[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)cs2)n1 ZINC001579970982 1067463812 /nfs/dbraw/zinc/46/38/12/1067463812.db2.gz GQWMACQAVMZHEV-CLLJXQQHSA-N 1 3 317.462 2.164 20 0 DEADHO [NH3+]C1CC2(C1)CC(NC(=O)c1cccc(CN3CCCC3)c1)C2 ZINC001580164670 1067513628 /nfs/dbraw/zinc/51/36/28/1067513628.db2.gz CEVLUDHQXBWMLL-UHFFFAOYSA-N 1 3 313.445 2.282 20 0 DEADHO CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)CCC)C2 ZINC001368612606 1148527167 /nfs/dbraw/zinc/52/71/67/1148527167.db2.gz UALKWAOCSXZAOV-GOSISDBHSA-N 1 3 309.498 2.443 20 0 DEADHO CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)CCC)C2 ZINC001368612606 1148527178 /nfs/dbraw/zinc/52/71/78/1148527178.db2.gz UALKWAOCSXZAOV-GOSISDBHSA-N 1 3 309.498 2.443 20 0 DEADHO CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCCCN2CC)cc1 ZINC001267098283 1078572676 /nfs/dbraw/zinc/57/26/76/1078572676.db2.gz KLUITQBKPJLKHB-SFHVURJKSA-N 1 3 317.477 2.329 20 0 DEADHO CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001368614698 1148529750 /nfs/dbraw/zinc/52/97/50/1148529750.db2.gz FXALKBKXSGWKNO-RCCFBDPRSA-N 1 3 317.477 2.177 20 0 DEADHO CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001368614698 1148529754 /nfs/dbraw/zinc/52/97/54/1148529754.db2.gz FXALKBKXSGWKNO-RCCFBDPRSA-N 1 3 317.477 2.177 20 0 DEADHO CCN(C(=O)C[C@H](N)c1cc(C)nc(Cl)c1)C1CC[NH2+]CC1 ZINC001515692052 1068895110 /nfs/dbraw/zinc/89/51/10/1068895110.db2.gz ZAIOPMQAKCVEQA-AWEZNQCLSA-N 1 3 324.856 2.034 20 0 DEADHO CN(C)C1(C(=O)N(C)CC[NH2+]C/C=C\c2ccccc2)CCC1 ZINC001267383973 1078818158 /nfs/dbraw/zinc/81/81/58/1078818158.db2.gz GJCYUHHGOAYXQQ-XFFZJAGNSA-N 1 3 315.461 2.232 20 0 DEADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@H](N)C(C)(C)C)C1 ZINC001573590141 1069044678 /nfs/dbraw/zinc/04/46/78/1069044678.db2.gz NOAFTPSHAQCUDG-KBMXLJTQSA-N 1 3 303.450 2.312 20 0 DEADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H](N)C(C)(C)C)C1 ZINC001573590141 1069044680 /nfs/dbraw/zinc/04/46/80/1069044680.db2.gz NOAFTPSHAQCUDG-KBMXLJTQSA-N 1 3 303.450 2.312 20 0 DEADHO CCN1CCN(c2cccc(NC(=O)[C@H]([NH3+])CC(C)C)c2)CC1 ZINC001573778496 1069101189 /nfs/dbraw/zinc/10/11/89/1069101189.db2.gz XYODWYSLAXAIEZ-QGZVFWFLSA-N 1 3 318.465 2.140 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](C)CCc1cccs1 ZINC001480951768 1078901977 /nfs/dbraw/zinc/90/19/77/1078901977.db2.gz MHEATDYZVFJQBO-INIZCTEOSA-N 1 3 323.506 2.213 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](C)CCc1cccs1 ZINC001480951768 1078901981 /nfs/dbraw/zinc/90/19/81/1078901981.db2.gz MHEATDYZVFJQBO-INIZCTEOSA-N 1 3 323.506 2.213 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCc3ccccc3)CC2)CC[N@@H+]1C ZINC001483735292 1078927073 /nfs/dbraw/zinc/92/70/73/1078927073.db2.gz RCSMSILWJRUSBL-DLBZAZTESA-N 1 3 315.461 2.155 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCc3ccccc3)CC2)CC[N@H+]1C ZINC001483735292 1078927078 /nfs/dbraw/zinc/92/70/78/1078927078.db2.gz RCSMSILWJRUSBL-DLBZAZTESA-N 1 3 315.461 2.155 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+][C@H](C)c2ccc(F)cc2)CC1)N(C)C ZINC001483747383 1078986117 /nfs/dbraw/zinc/98/61/17/1078986117.db2.gz SDHOXIOFHFTZLW-CZUORRHYSA-N 1 3 321.440 2.465 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC001549296161 1073115493 /nfs/dbraw/zinc/11/54/93/1073115493.db2.gz JPFRCELRWPZTDA-ATLSCFEFSA-N 1 3 315.461 2.121 20 0 DEADHO O=C(N[C@H]1CCCC[C@H]1NC1CC[NH2+]CC1)c1ccccc1 ZINC001549338327 1073131208 /nfs/dbraw/zinc/13/12/08/1073131208.db2.gz YITSMEAKQJQTAS-SJORKVTESA-N 1 3 301.434 2.069 20 0 DEADHO O=C(N[C@H]1CCCC[C@H]1[NH2+]C1CCNCC1)c1ccccc1 ZINC001549338327 1073131213 /nfs/dbraw/zinc/13/12/13/1073131213.db2.gz YITSMEAKQJQTAS-SJORKVTESA-N 1 3 301.434 2.069 20 0 DEADHO CN(C)[C@@H](CNC(=O)[C@@H]([NH3+])C1CCCCC1)c1ccccc1 ZINC001645892255 1079041031 /nfs/dbraw/zinc/04/10/31/1079041031.db2.gz BGTIFCHVTOAIFB-IRXDYDNUSA-N 1 3 303.450 2.313 20 0 DEADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(F)cc1 ZINC001369254160 1148882664 /nfs/dbraw/zinc/88/26/64/1148882664.db2.gz YMBABQNSZDMGEQ-AWEZNQCLSA-N 1 3 321.440 2.247 20 0 DEADHO CC[N@H+](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)CC(C)C ZINC001481001884 1079046406 /nfs/dbraw/zinc/04/64/06/1079046406.db2.gz ZCBYWLOHUKAJBH-QGZVFWFLSA-N 1 3 315.477 2.293 20 0 DEADHO CC[N@@H+](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)CC(C)C ZINC001481001884 1079046412 /nfs/dbraw/zinc/04/64/12/1079046412.db2.gz ZCBYWLOHUKAJBH-QGZVFWFLSA-N 1 3 315.477 2.293 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC(C)C)C1 ZINC001272651035 1079047361 /nfs/dbraw/zinc/04/73/61/1079047361.db2.gz BSPUXBQZUQXHNQ-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO [NH3+][C@H]1CCCCC[C@@H]1C(=O)Nc1ccc2c(c1)CNCCO2 ZINC001549901583 1073324077 /nfs/dbraw/zinc/32/40/77/1073324077.db2.gz DCBFIJROLMVHCY-GJZGRUSLSA-N 1 3 303.406 2.015 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@@H]1NC1CC(S(=O)(=O)c2ccccc2)C1 ZINC001549922024 1073334787 /nfs/dbraw/zinc/33/47/87/1073334787.db2.gz WAYAXTMESUXAEW-LYSZQXJVSA-N 1 3 322.474 2.098 20 0 DEADHO NC[C@H]1CCCC[C@@H]1[NH2+]C1CC(S(=O)(=O)c2ccccc2)C1 ZINC001549922024 1073334789 /nfs/dbraw/zinc/33/47/89/1073334789.db2.gz WAYAXTMESUXAEW-LYSZQXJVSA-N 1 3 322.474 2.098 20 0 DEADHO C[C@@H]1CN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCN(C2CCC2)C1 ZINC001550366524 1073617392 /nfs/dbraw/zinc/61/73/92/1073617392.db2.gz NTYFYDCLNKAPQA-RYQLBKOJSA-N 1 3 319.493 2.336 20 0 DEADHO C[C@@H]1CN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CCN(C2CCC2)C1 ZINC001550366524 1073617395 /nfs/dbraw/zinc/61/73/95/1073617395.db2.gz NTYFYDCLNKAPQA-RYQLBKOJSA-N 1 3 319.493 2.336 20 0 DEADHO COc1ccccc1CN[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@@H]1O ZINC001550424074 1073649355 /nfs/dbraw/zinc/64/93/55/1073649355.db2.gz XTGKHNJUKFOOFB-NEPXVJNWSA-N 1 3 318.461 2.265 20 0 DEADHO COc1ccccc1CN[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@@H]1O ZINC001550424074 1073649366 /nfs/dbraw/zinc/64/93/66/1073649366.db2.gz XTGKHNJUKFOOFB-NEPXVJNWSA-N 1 3 318.461 2.265 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1C[C@@H](c2ccccc2)CO1 ZINC001550516753 1073688108 /nfs/dbraw/zinc/68/81/08/1073688108.db2.gz PHPBKCWVAKKDSR-AQVVAKNZSA-N 1 3 300.446 2.489 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001481072237 1079149663 /nfs/dbraw/zinc/14/96/63/1079149663.db2.gz WDQGZIPIZWTDKF-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001481072237 1079149665 /nfs/dbraw/zinc/14/96/65/1079149665.db2.gz WDQGZIPIZWTDKF-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO Nc1c(F)cccc1CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC001550704827 1073815929 /nfs/dbraw/zinc/81/59/29/1073815929.db2.gz IRZUJQAAOAKZEZ-GDBMZVCRSA-N 1 3 307.413 2.126 20 0 DEADHO C[C@H](O)c1ncc(CN2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)s1 ZINC001551260319 1074138103 /nfs/dbraw/zinc/13/81/03/1074138103.db2.gz JZZLNMTVMVMPGE-IGQOVBAYSA-N 1 3 309.479 2.359 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001551886777 1074410194 /nfs/dbraw/zinc/41/01/94/1074410194.db2.gz XUUOSXSQUCLMAU-QRQLOZEOSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001551886777 1074410196 /nfs/dbraw/zinc/41/01/96/1074410196.db2.gz XUUOSXSQUCLMAU-QRQLOZEOSA-N 1 3 319.493 2.194 20 0 DEADHO CCOC(=O)c1cc(CN2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)on1 ZINC001646376532 1074433250 /nfs/dbraw/zinc/43/32/50/1074433250.db2.gz HYJNBLYASAWPPU-MELADBBJSA-N 1 3 321.421 2.013 20 0 DEADHO CCN1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC001552296007 1074526171 /nfs/dbraw/zinc/52/61/71/1074526171.db2.gz VWVPSALIBJWJED-BZSNNMDCSA-N 1 3 315.461 2.280 20 0 DEADHO CCN1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C1 ZINC001552296007 1074526179 /nfs/dbraw/zinc/52/61/79/1074526179.db2.gz VWVPSALIBJWJED-BZSNNMDCSA-N 1 3 315.461 2.280 20 0 DEADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]C1 ZINC001552416274 1074572005 /nfs/dbraw/zinc/57/20/05/1074572005.db2.gz MIOYTOSFUTXUBB-MSOLQXFVSA-N 1 3 315.461 2.157 20 0 DEADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC001646769933 1074610271 /nfs/dbraw/zinc/61/02/71/1074610271.db2.gz ZEIHZPAUEAYANU-IECFSIQFSA-N 1 3 319.493 2.430 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC001646958838 1074728345 /nfs/dbraw/zinc/72/83/45/1074728345.db2.gz UNJDYAMPHKPXLE-QGZVFWFLSA-N 1 3 322.497 2.131 20 0 DEADHO Cc1ncc2c(n1)CC[C@H](N[C@@H]1[C@H]3CCC[NH2+][C@@H]3C1(C)C)C2 ZINC001553023567 1074738501 /nfs/dbraw/zinc/73/85/01/1074738501.db2.gz BGEBCPUGHJITJX-NXNVCVFFSA-N 1 3 300.450 2.009 20 0 DEADHO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1[C@H]3CCCN[C@@H]3C1(C)C)C2 ZINC001553023567 1074738505 /nfs/dbraw/zinc/73/85/05/1074738505.db2.gz BGEBCPUGHJITJX-NXNVCVFFSA-N 1 3 300.450 2.009 20 0 DEADHO Cc1cc(N2CCC([NH2+][C@@H]3[C@H]4CCCN[C@@H]4C3(C)C)CC2)n[nH]1 ZINC001553024352 1074739906 /nfs/dbraw/zinc/73/99/06/1074739906.db2.gz ZCGSFYNLRIRZKY-BHYGNILZSA-N 1 3 317.481 2.053 20 0 DEADHO Cc1ccc(CN2CCCN(C[C@@H]3C[C@H](F)C[NH2+]3)CC2)cc1 ZINC001647371721 1074899184 /nfs/dbraw/zinc/89/91/84/1074899184.db2.gz MYHFDTHRVJTHNE-ROUUACIJSA-N 1 3 305.441 2.203 20 0 DEADHO CO[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001647548645 1074944844 /nfs/dbraw/zinc/94/48/44/1074944844.db2.gz VQIQHUXBBHLTPC-OALUTQOASA-N 1 3 317.477 2.091 20 0 DEADHO CC(C)=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001565504113 1075181181 /nfs/dbraw/zinc/18/11/81/1075181181.db2.gz SMNHVWYTWXEWPN-SJORKVTESA-N 1 3 317.477 2.114 20 0 DEADHO Cc1cc(C[N@@H+](C)CCCNC(=O)CN(C)C(C)C)cs1 ZINC001566519904 1075267943 /nfs/dbraw/zinc/26/79/43/1075267943.db2.gz JSIVZJGMYXDOBK-UHFFFAOYSA-N 1 3 311.495 2.335 20 0 DEADHO Cc1cc(C[N@H+](C)CCCNC(=O)CN(C)C(C)C)cs1 ZINC001566519904 1075267944 /nfs/dbraw/zinc/26/79/44/1075267944.db2.gz JSIVZJGMYXDOBK-UHFFFAOYSA-N 1 3 311.495 2.335 20 0 DEADHO c1c(C[NH2+][C@H]2CCOC3(CCOCC3)C2)sc2c1CNCC2 ZINC001580888367 1076015296 /nfs/dbraw/zinc/01/52/96/1076015296.db2.gz YIDHVVQPKSUTAP-AWEZNQCLSA-N 1 3 322.474 2.212 20 0 DEADHO C[NH+](C)C1(C)CCC(NC(=O)c2cc3c(s2)CNCC3)CC1 ZINC001650383618 1079577695 /nfs/dbraw/zinc/57/76/95/1079577695.db2.gz GCYJKLUYLHHFJO-UHFFFAOYSA-N 1 3 321.490 2.387 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC001484382023 1079580089 /nfs/dbraw/zinc/58/00/89/1079580089.db2.gz CMSACVYOVXRCCU-CVEARBPZSA-N 1 3 311.514 2.449 20 0 DEADHO C[C@@H](F)CC[N@@H+]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001484716258 1079740820 /nfs/dbraw/zinc/74/08/20/1079740820.db2.gz GZOZPWXVPJXYQN-HUUCEWRRSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H](F)CC[N@H+]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001484716258 1079740826 /nfs/dbraw/zinc/74/08/26/1079740826.db2.gz GZOZPWXVPJXYQN-HUUCEWRRSA-N 1 3 313.461 2.190 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CCC[N@H+](CCC3CC3)CC2)CCC1 ZINC001484717204 1079742577 /nfs/dbraw/zinc/74/25/77/1079742577.db2.gz VGSABLJTLNOXKN-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CCC[N@@H+](CCC3CC3)CC2)CCC1 ZINC001484717204 1079742590 /nfs/dbraw/zinc/74/25/90/1079742590.db2.gz VGSABLJTLNOXKN-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CN(CC(=O)N[C@H]1CCC[N@H+](CCCF)CC1)CC(C)(C)C ZINC001484722104 1079758050 /nfs/dbraw/zinc/75/80/50/1079758050.db2.gz RSWNNZWDDSSVPH-HNNXBMFYSA-N 1 3 315.477 2.295 20 0 DEADHO CN(CC(=O)N[C@H]1CCC[N@@H+](CCCF)CC1)CC(C)(C)C ZINC001484722104 1079758056 /nfs/dbraw/zinc/75/80/56/1079758056.db2.gz RSWNNZWDDSSVPH-HNNXBMFYSA-N 1 3 315.477 2.295 20 0 DEADHO CC(C)=CC[N@@H+](C)C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001485060618 1079950900 /nfs/dbraw/zinc/95/09/00/1079950900.db2.gz QGPGJEXGQMVYRJ-QGZVFWFLSA-N 1 3 307.482 2.360 20 0 DEADHO CC(C)=CC[N@H+](C)C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001485060618 1079950907 /nfs/dbraw/zinc/95/09/07/1079950907.db2.gz QGPGJEXGQMVYRJ-QGZVFWFLSA-N 1 3 307.482 2.360 20 0 DEADHO C[C@H](C[NH2+]C/C=C\c1ccccc1)N(C)C(=O)[C@@H]1CCCN1C ZINC001268053048 1079975510 /nfs/dbraw/zinc/97/55/10/1079975510.db2.gz CCEHNCHVSJBLKX-AQOIUKNXSA-N 1 3 315.461 2.231 20 0 DEADHO OC1(C[NH+]2CCCCC2)CCN(CCOCC2CCC2)CC1 ZINC001655855344 1080022009 /nfs/dbraw/zinc/02/20/09/1080022009.db2.gz FXTCMOZLLCTJMW-UHFFFAOYSA-N 1 3 310.482 2.116 20 0 DEADHO C[C@H](C[NH2+]CCC1=CCCCC1)N(C)C(=O)Cc1c[nH]cn1 ZINC001268085052 1080040640 /nfs/dbraw/zinc/04/06/40/1080040640.db2.gz KXHNSXUYDBGJHP-CQSZACIVSA-N 1 3 304.438 2.279 20 0 DEADHO Cc1cccc(C[N@@H+](C)[C@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001485312842 1080133808 /nfs/dbraw/zinc/13/38/08/1080133808.db2.gz LIZJOXJYZUUKEX-MRXNPFEDSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1cccc(C[N@H+](C)[C@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001485312842 1080133811 /nfs/dbraw/zinc/13/38/11/1080133811.db2.gz LIZJOXJYZUUKEX-MRXNPFEDSA-N 1 3 317.477 2.416 20 0 DEADHO CC(C)=CCN1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001657044491 1080149185 /nfs/dbraw/zinc/14/91/85/1080149185.db2.gz WBDAOCGJMSGNHJ-SJORKVTESA-N 1 3 307.482 2.408 20 0 DEADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC1CN(CCCF)C1 ZINC001481633298 1080170163 /nfs/dbraw/zinc/17/01/63/1080170163.db2.gz UGARKPUAOXFSOB-UHFFFAOYSA-N 1 3 313.461 2.047 20 0 DEADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCC1CN(CCCF)C1 ZINC001481633298 1080170166 /nfs/dbraw/zinc/17/01/66/1080170166.db2.gz UGARKPUAOXFSOB-UHFFFAOYSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](c1ccccc1)N1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001481676493 1080287820 /nfs/dbraw/zinc/28/78/20/1080287820.db2.gz HXMWPMCZQULVNB-OKZBNKHCSA-N 1 3 315.461 2.375 20 0 DEADHO C[N@H+](CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)CC1CC1 ZINC001660304277 1080306732 /nfs/dbraw/zinc/30/67/32/1080306732.db2.gz VZTOHDSPJXTUMU-QGZVFWFLSA-N 1 3 313.461 2.047 20 0 DEADHO C[N@@H+](CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)CC1CC1 ZINC001660304277 1080306735 /nfs/dbraw/zinc/30/67/35/1080306735.db2.gz VZTOHDSPJXTUMU-QGZVFWFLSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCC3CC3)C[C@H]2C1 ZINC001485658838 1080350784 /nfs/dbraw/zinc/35/07/84/1080350784.db2.gz YXNUCASENIIPHU-KZNAEPCWSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCC3CC3)C[C@H]2C1 ZINC001485658838 1080350789 /nfs/dbraw/zinc/35/07/89/1080350789.db2.gz YXNUCASENIIPHU-KZNAEPCWSA-N 1 3 321.509 2.343 20 0 DEADHO C[C@H](F)CC[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001485695602 1080379328 /nfs/dbraw/zinc/37/93/28/1080379328.db2.gz IGTXQZVOHJECNQ-KKUMJFAQSA-N 1 3 315.477 2.197 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)CCNC/C(Cl)=C\Cl)[NH+](C)C ZINC001268375716 1080393341 /nfs/dbraw/zinc/39/33/41/1080393341.db2.gz WRFKTQCTSOZFGL-BQFYNABESA-N 1 3 324.296 2.376 20 0 DEADHO CC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001481749138 1080436795 /nfs/dbraw/zinc/43/67/95/1080436795.db2.gz OVLFZSXKVIPUBG-JIPXFFRKSA-N 1 3 309.498 2.462 20 0 DEADHO CC/C=C\CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001481749138 1080436801 /nfs/dbraw/zinc/43/68/01/1080436801.db2.gz OVLFZSXKVIPUBG-JIPXFFRKSA-N 1 3 309.498 2.462 20 0 DEADHO CCN(CC[NH2+]CC1CC(C)(C)C1)C(=O)CN(C)C1CCC1 ZINC001268453545 1080491237 /nfs/dbraw/zinc/49/12/37/1080491237.db2.gz JDFGVJACYKOANM-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CCCCC[NH2+]C[C@@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001661946702 1080548364 /nfs/dbraw/zinc/54/83/64/1080548364.db2.gz NEHJYAZLHUWJIW-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@H](C(=O)N1CCCC[C@H]1CNCCF)[NH+]1CCCCCC1 ZINC001661950300 1080549410 /nfs/dbraw/zinc/54/94/10/1080549410.db2.gz LOQAXUPKHDSNOU-HOTGVXAUSA-N 1 3 313.461 2.191 20 0 DEADHO CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C ZINC001107036215 1080551974 /nfs/dbraw/zinc/55/19/74/1080551974.db2.gz JBHVGJVXUXATAJ-BRWVUGGUSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C1C[NH+](CCc2ccccc2)C1)N(C)C ZINC001409924993 1080558697 /nfs/dbraw/zinc/55/86/97/1080558697.db2.gz QHQUGTJQCFQWPR-QAPCUYQASA-N 1 3 317.477 2.006 20 0 DEADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccc(F)cc1C ZINC001481881978 1080572162 /nfs/dbraw/zinc/57/21/62/1080572162.db2.gz NOBYWTCKMUYULZ-KRWDZBQOSA-N 1 3 323.456 2.459 20 0 DEADHO Cc1cccc(C[NH2+]C/C=C\CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001268552459 1080748537 /nfs/dbraw/zinc/74/85/37/1080748537.db2.gz PXATVKCCQSURAS-MJRGOJFPSA-N 1 3 317.477 2.343 20 0 DEADHO C[N@@H+]1CCC[C@H]1CCC(=O)NC/C=C\CNCc1ccsc1 ZINC001268552549 1080749370 /nfs/dbraw/zinc/74/93/70/1080749370.db2.gz NOMNMUQYPLCKRW-YPQKKHBXSA-N 1 3 321.490 2.385 20 0 DEADHO C[N@H+]1CCC[C@H]1CCC(=O)NC/C=C\CNCc1ccsc1 ZINC001268552549 1080749376 /nfs/dbraw/zinc/74/93/76/1080749376.db2.gz NOMNMUQYPLCKRW-YPQKKHBXSA-N 1 3 321.490 2.385 20 0 DEADHO CC(C)=CCN(CCNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001663730497 1080809453 /nfs/dbraw/zinc/80/94/53/1080809453.db2.gz LBWZBLBNNFLINI-UHFFFAOYSA-N 1 3 319.493 2.409 20 0 DEADHO Cc1ccc(C[NH2+]CCN(C)C(=O)CN2CC[C@@H](C)C2)cc1C ZINC001664186564 1080872841 /nfs/dbraw/zinc/87/28/41/1080872841.db2.gz PNFPXHFXWNTMAS-OAHLLOKOSA-N 1 3 317.477 2.193 20 0 DEADHO Cc1ccc(C)c(C[NH2+]C/C=C\CNC(=O)CN2CCCC2)c1 ZINC001268625544 1080902620 /nfs/dbraw/zinc/90/26/20/1080902620.db2.gz PPPDBYKPARPPLT-ARJAWSKDSA-N 1 3 315.461 2.161 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccccc1C ZINC001664395342 1080903924 /nfs/dbraw/zinc/90/39/24/1080903924.db2.gz PMEXIZYTEDANTR-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO CC(C)CC[NH+]1CCC(CNC(=O)CN2CCC[C@@H]2C)CC1 ZINC000079996226 1080921325 /nfs/dbraw/zinc/92/13/25/1080921325.db2.gz RPGOGLDRBKJXFE-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)=CC[NH2+]C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001268675257 1080928553 /nfs/dbraw/zinc/92/85/53/1080928553.db2.gz UHLCNMCMJKFWMS-OAHLLOKOSA-N 1 3 303.450 2.422 20 0 DEADHO CC(C)=CCN(C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001268735992 1080962244 /nfs/dbraw/zinc/96/22/44/1080962244.db2.gz PWBWITAWKNNEKH-INIZCTEOSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)=CC[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001664835360 1080969439 /nfs/dbraw/zinc/96/94/39/1080969439.db2.gz FTOJBXBCQXGSCI-IRXDYDNUSA-N 1 3 307.482 2.075 20 0 DEADHO CC(C)=CC[N@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001664835360 1080969448 /nfs/dbraw/zinc/96/94/48/1080969448.db2.gz FTOJBXBCQXGSCI-IRXDYDNUSA-N 1 3 307.482 2.075 20 0 DEADHO CC(C)(C(=O)N[C@H](C[NH2+]CCCF)C1CC1)N1CCCCC1 ZINC001269071597 1081108786 /nfs/dbraw/zinc/10/87/86/1081108786.db2.gz MVEUUXDYOGPBIH-OAHLLOKOSA-N 1 3 313.461 2.095 20 0 DEADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111297378 1081222544 /nfs/dbraw/zinc/22/25/44/1081222544.db2.gz ASYQNGQHUKQVTJ-ZACQAIPSSA-N 1 3 307.482 2.406 20 0 DEADHO Cc1ccccc1C[NH2+]C/C=C\CNC(=O)[C@H](C(C)C)N(C)C ZINC001669150517 1081432690 /nfs/dbraw/zinc/43/26/90/1081432690.db2.gz IVBLMGLOAIUWRQ-GIFJBRJJSA-N 1 3 317.477 2.343 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH2+]C/C=C/CNC(=O)CN1CCCC1 ZINC001669188217 1081435940 /nfs/dbraw/zinc/43/59/40/1081435940.db2.gz DUVPHNFSMVNQBS-FUTAKVPZSA-N 1 3 315.461 2.414 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCC1CCCC1)N(C)C ZINC001270164908 1081464307 /nfs/dbraw/zinc/46/43/07/1081464307.db2.gz GJFDKHYZCCFRPJ-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC[C@H](C[NH2+]C/C=C/Cl)CC1)N(C)C ZINC001672970081 1081727488 /nfs/dbraw/zinc/72/74/88/1081727488.db2.gz MEVFVOBUFWZDQC-VIXMMLAKSA-N 1 3 315.889 2.344 20 0 DEADHO Cc1ncc(C[NH+]2CCC3(CN(Cc4ccc[nH]4)C3)CC2)n1C ZINC001276304501 1081730714 /nfs/dbraw/zinc/73/07/14/1081730714.db2.gz GDYFZLMGFPQPCB-UHFFFAOYSA-N 1 3 313.449 2.155 20 0 DEADHO CC(C)C[NH2+]CC[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001482451042 1081888329 /nfs/dbraw/zinc/88/83/29/1081888329.db2.gz QTQXOJDYXWZCPC-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)Cc1cccc(NC(=O)C2(C3CC[NH2+]CC3)CC2)c1 ZINC001648964822 1081959886 /nfs/dbraw/zinc/95/98/86/1081959886.db2.gz GGVJWQMGRSQXQF-UHFFFAOYSA-N 1 3 301.434 2.467 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cnc(Cl)c(C)c2)CC1 ZINC001648791873 1081995833 /nfs/dbraw/zinc/99/58/33/1081995833.db2.gz CKCFGBXEHMQPHC-AWEZNQCLSA-N 1 3 310.873 2.159 20 0 DEADHO CCc1ccc(C[N@H+](C)CCNC(=O)C2(N(C)C)CCC2)cc1 ZINC001480873667 1082036407 /nfs/dbraw/zinc/03/64/07/1082036407.db2.gz RBRJKGUCJVTJPM-UHFFFAOYSA-N 1 3 317.477 2.281 20 0 DEADHO CCc1ccc(C[N@@H+](C)CCNC(=O)C2(N(C)C)CCC2)cc1 ZINC001480873667 1082036413 /nfs/dbraw/zinc/03/64/13/1082036413.db2.gz RBRJKGUCJVTJPM-UHFFFAOYSA-N 1 3 317.477 2.281 20 0 DEADHO CC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266533763 1082126953 /nfs/dbraw/zinc/12/69/53/1082126953.db2.gz QCXGBTAWCAWRKT-NXVGNOFTSA-N 1 3 309.498 2.367 20 0 DEADHO CC/C=C/CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266533763 1082126957 /nfs/dbraw/zinc/12/69/57/1082126957.db2.gz QCXGBTAWCAWRKT-NXVGNOFTSA-N 1 3 309.498 2.367 20 0 DEADHO CC/C=C/CC[NH2+]C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001671308525 1082258756 /nfs/dbraw/zinc/25/87/56/1082258756.db2.gz HLBFQXVMZYOXNW-LAQIPUCWSA-N 1 3 307.482 2.408 20 0 DEADHO Cc1ccc(CN(C)CCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001482642621 1082431746 /nfs/dbraw/zinc/43/17/46/1082431746.db2.gz NNMVJLCEKOVAMS-SFHVURJKSA-N 1 3 317.477 2.227 20 0 DEADHO Cc1ccc(CN(C)CCN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001482642621 1082431748 /nfs/dbraw/zinc/43/17/48/1082431748.db2.gz NNMVJLCEKOVAMS-SFHVURJKSA-N 1 3 317.477 2.227 20 0 DEADHO C[C@@H](CC[NH2+]CCc1ccccc1)NC(=O)CN1CC[C@@H](C)C1 ZINC001482871215 1082538163 /nfs/dbraw/zinc/53/81/63/1082538163.db2.gz KLGJCYCAXVRKMF-SJORKVTESA-N 1 3 317.477 2.055 20 0 DEADHO CCN(CC[NH2+]CC1CCCCC1)C(=O)CN(C)C1CCC1 ZINC001482931766 1082561613 /nfs/dbraw/zinc/56/16/13/1082561613.db2.gz RKQOCOCMIVMFQC-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO Cc1cc(C[NH2+]C/C=C\CNC(=O)CN2CCCC2)c(C)s1 ZINC001483092528 1082703289 /nfs/dbraw/zinc/70/32/89/1082703289.db2.gz GPASGLQPNCIBNK-ARJAWSKDSA-N 1 3 321.490 2.223 20 0 DEADHO CC[C@@H](C)C[NH2+]CC(C)(C)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001409448137 1082895344 /nfs/dbraw/zinc/89/53/44/1082895344.db2.gz ODKXMZKACHQMGE-CVEARBPZSA-N 1 3 311.514 2.449 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[N@H+](C)CCc1ccccc1 ZINC001409616598 1082987667 /nfs/dbraw/zinc/98/76/67/1082987667.db2.gz KUVDEIQZRGBBMQ-IAGOWNOFSA-N 1 3 317.477 2.007 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[N@@H+](C)CCc1ccccc1 ZINC001409616598 1082987672 /nfs/dbraw/zinc/98/76/72/1082987672.db2.gz KUVDEIQZRGBBMQ-IAGOWNOFSA-N 1 3 317.477 2.007 20 0 DEADHO CC(C)[C@H](CCN(C)C(=O)[C@H]1CCCN1C)[NH2+]CCC1CC1 ZINC001409771124 1083049807 /nfs/dbraw/zinc/04/98/07/1083049807.db2.gz MCEVNTJHWPLCHE-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](C[NH2+]CC1=CCCCC1)NC(=O)C(C)(C)N1CCCC1 ZINC001483256608 1083060497 /nfs/dbraw/zinc/06/04/97/1083060497.db2.gz ZRIIGODEXBOWLB-HNNXBMFYSA-N 1 3 307.482 2.456 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]C/C=C\Cl)C1CC1 ZINC001276595090 1083506342 /nfs/dbraw/zinc/50/63/42/1083506342.db2.gz KATDHLSRQJMTMK-FEDKZRLMSA-N 1 3 313.873 2.098 20 0 DEADHO C[NH+](C)CCN1CCC[C@]2(CCCN(Cc3cnsc3)C2)C1 ZINC001276607135 1083510632 /nfs/dbraw/zinc/51/06/32/1083510632.db2.gz BYWRWPDYBJLVGJ-KRWDZBQOSA-N 1 3 322.522 2.383 20 0 DEADHO CCCCCCN(C)CC(=O)NCCC[NH2+]C[C@@H](F)CC ZINC001168595591 1084115179 /nfs/dbraw/zinc/11/51/79/1084115179.db2.gz LOFUVJAFBSFLLX-HNNXBMFYSA-N 1 3 303.466 2.343 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)NCc2ccsc2)C1 ZINC001491561022 1084147753 /nfs/dbraw/zinc/14/77/53/1084147753.db2.gz WUIHRONIDDUPEL-GDBMZVCRSA-N 1 3 323.506 2.464 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C)NCc2ccsc2)C1 ZINC001491561022 1084147757 /nfs/dbraw/zinc/14/77/57/1084147757.db2.gz WUIHRONIDDUPEL-GDBMZVCRSA-N 1 3 323.506 2.464 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC001491338086 1084241877 /nfs/dbraw/zinc/24/18/77/1084241877.db2.gz BKOSIRPSNPPGTO-LHUBQHJBSA-N 1 3 319.493 2.262 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC001491338086 1084241881 /nfs/dbraw/zinc/24/18/81/1084241881.db2.gz BKOSIRPSNPPGTO-LHUBQHJBSA-N 1 3 319.493 2.262 20 0 DEADHO Cc1cccc(C[NH2+][C@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001491480763 1084337544 /nfs/dbraw/zinc/33/75/44/1084337544.db2.gz NABABLAXINJNEN-OAHLLOKOSA-N 1 3 303.450 2.074 20 0 DEADHO NC(=O)c1cccc(CN2CCC([C@H]3CCCC[NH2+]3)CC2)c1 ZINC001235239016 1084356736 /nfs/dbraw/zinc/35/67/36/1084356736.db2.gz SBHLQWVUDQXOCJ-QGZVFWFLSA-N 1 3 301.434 2.140 20 0 DEADHO CCc1cccc(C)c1CN1CCN(C2CC[NH2+]CC2)CC1 ZINC001235700659 1084505980 /nfs/dbraw/zinc/50/59/80/1084505980.db2.gz BWOGIUWPQHGENH-UHFFFAOYSA-N 1 3 301.478 2.427 20 0 DEADHO N[C@@H]1CN(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC[C@H]1F ZINC001235911575 1084561923 /nfs/dbraw/zinc/56/19/23/1084561923.db2.gz WJAKWTGLNXBQBT-RCCFBDPRSA-N 1 3 305.441 2.412 20 0 DEADHO N[C@@H]1CN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC[C@H]1F ZINC001235911575 1084561927 /nfs/dbraw/zinc/56/19/27/1084561927.db2.gz WJAKWTGLNXBQBT-RCCFBDPRSA-N 1 3 305.441 2.412 20 0 DEADHO F[C@@H]1CNCC[C@H]1N(Cc1ccccc1)C[C@@H]1CCCC[NH2+]1 ZINC001235937746 1084568769 /nfs/dbraw/zinc/56/87/69/1084568769.db2.gz UAYRJYZHVBCASU-RCCFBDPRSA-N 1 3 305.441 2.331 20 0 DEADHO CCCOc1ccccc1CN1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001236072636 1084603578 /nfs/dbraw/zinc/60/35/78/1084603578.db2.gz HGJLMYPXARGWIF-QGZVFWFLSA-N 1 3 303.450 2.083 20 0 DEADHO CC(C)(C)Oc1cccc(CN2CCC[C@H](N3CC([NH3+])C3)C2)c1 ZINC001236080296 1084607845 /nfs/dbraw/zinc/60/78/45/1084607845.db2.gz VGOOAJFSZWYHNI-KRWDZBQOSA-N 1 3 317.477 2.471 20 0 DEADHO CCC[C@@H]1C[NH2+]CCN1Cc1cccc(N2CCN(C)CC2)c1 ZINC001236133117 1084618606 /nfs/dbraw/zinc/61/86/06/1084618606.db2.gz QDJPVGYODUSYLU-LJQANCHMSA-N 1 3 316.493 2.012 20 0 DEADHO CC1CCN(CC(=O)N(C)C2CCC([NH2+]CCF)CC2)CC1 ZINC000964035212 1085155005 /nfs/dbraw/zinc/15/50/05/1085155005.db2.gz UEEKDMGVGUCPOM-UHFFFAOYSA-N 1 3 313.461 2.047 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC(C)(C)C1 ZINC000960484635 1085308284 /nfs/dbraw/zinc/30/82/84/1085308284.db2.gz AHATXULBGOJQEH-SJORKVTESA-N 1 3 321.509 2.440 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC(C)(C)C1 ZINC000960484635 1085308300 /nfs/dbraw/zinc/30/83/00/1085308300.db2.gz AHATXULBGOJQEH-SJORKVTESA-N 1 3 321.509 2.440 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccccc1 ZINC000960489276 1085311726 /nfs/dbraw/zinc/31/17/26/1085311726.db2.gz TUAFEROOHARIMW-ROUUACIJSA-N 1 3 315.461 2.204 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccccc1 ZINC000960489276 1085311731 /nfs/dbraw/zinc/31/17/31/1085311731.db2.gz TUAFEROOHARIMW-ROUUACIJSA-N 1 3 315.461 2.204 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C1CC[NH+](CCC2CC2)CC1 ZINC001486441590 1085325036 /nfs/dbraw/zinc/32/50/36/1085325036.db2.gz OEJFWMRHOKAUAY-OAHLLOKOSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)=CC[NH2+]C1CC(N(C)C(=O)CN2CCC(C)CC2)C1 ZINC001486479590 1085362924 /nfs/dbraw/zinc/36/29/24/1085362924.db2.gz RXUHROULCPHARP-UHFFFAOYSA-N 1 3 307.482 2.264 20 0 DEADHO CC1CC(C[N@H+](C)C[C@@H]2CCCN2C(=O)C2(N(C)C)CCC2)C1 ZINC000960688984 1085413904 /nfs/dbraw/zinc/41/39/04/1085413904.db2.gz IPMCTPDGZGDDFV-JCYILVPMSA-N 1 3 321.509 2.440 20 0 DEADHO CC1CC(C[N@@H+](C)C[C@@H]2CCCN2C(=O)C2(N(C)C)CCC2)C1 ZINC000960688984 1085413912 /nfs/dbraw/zinc/41/39/12/1085413912.db2.gz IPMCTPDGZGDDFV-JCYILVPMSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCC1 ZINC000960866062 1085487302 /nfs/dbraw/zinc/48/73/02/1085487302.db2.gz RLFFIBXROQJJHM-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC1 ZINC000960866062 1085487310 /nfs/dbraw/zinc/48/73/10/1085487310.db2.gz RLFFIBXROQJJHM-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)CCN1CC[C@@]2(CC[N@H+](CCCC3CCCC3)C2)C1=O ZINC001273100468 1086177414 /nfs/dbraw/zinc/17/74/14/1086177414.db2.gz ADJADPSPDHTRKS-LJQANCHMSA-N 1 3 321.509 2.443 20 0 DEADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](CCCC3CCCC3)C2)C1=O ZINC001273100468 1086177417 /nfs/dbraw/zinc/17/74/17/1086177417.db2.gz ADJADPSPDHTRKS-LJQANCHMSA-N 1 3 321.509 2.443 20 0 DEADHO CN(C(=O)[C@@H]1CCCN1C)C1CCC([NH2+]CC2CCC2)CC1 ZINC000963158254 1086318070 /nfs/dbraw/zinc/31/80/70/1086318070.db2.gz VZWHSHLFQDEBSV-JCYILVPMSA-N 1 3 307.482 2.240 20 0 DEADHO CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963367517 1086427617 /nfs/dbraw/zinc/42/76/17/1086427617.db2.gz QIPAARGYNJCQCG-NVXWUHKLSA-N 1 3 318.465 2.455 20 0 DEADHO CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963367517 1086427622 /nfs/dbraw/zinc/42/76/22/1086427622.db2.gz QIPAARGYNJCQCG-NVXWUHKLSA-N 1 3 318.465 2.455 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)CN1Cc1ccccc1 ZINC000711109965 1086694660 /nfs/dbraw/zinc/69/46/60/1086694660.db2.gz PNNWLXKYOXANKM-VDHUWJSZSA-N 1 3 315.461 2.283 20 0 DEADHO CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000711285766 1087043111 /nfs/dbraw/zinc/04/31/11/1087043111.db2.gz XMSHGROYCKEGQV-DLBZAZTESA-N 1 3 315.461 2.013 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+]CCCc1ccccc1 ZINC001168763150 1087354272 /nfs/dbraw/zinc/35/42/72/1087354272.db2.gz KXPUAXSYEHXQDY-UHFFFAOYSA-N 1 3 305.466 2.057 20 0 DEADHO CC[C@@H](C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001080037475 1088591850 /nfs/dbraw/zinc/59/18/50/1088591850.db2.gz LVIKUGWYZKOZCD-BZUAXINKSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001080037475 1088591862 /nfs/dbraw/zinc/59/18/62/1088591862.db2.gz LVIKUGWYZKOZCD-BZUAXINKSA-N 1 3 307.482 2.097 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]C/C=C/Cl ZINC001273201240 1088782820 /nfs/dbraw/zinc/78/28/20/1088782820.db2.gz BPSXVJJMFUJQEY-VAIDBEGPSA-N 1 3 301.862 2.098 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001080554118 1089063523 /nfs/dbraw/zinc/06/35/23/1089063523.db2.gz CCTGDCXSFDPVRR-IXDOHACOSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001080554118 1089063540 /nfs/dbraw/zinc/06/35/40/1089063540.db2.gz CCTGDCXSFDPVRR-IXDOHACOSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccsc2)C1)N(C)C ZINC001082748755 1090057110 /nfs/dbraw/zinc/05/71/10/1090057110.db2.gz ZUHYSGJBUGOUKU-YUELXQCFSA-N 1 3 309.479 2.025 20 0 DEADHO CC(C)=CCN1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001084422149 1090285554 /nfs/dbraw/zinc/28/55/54/1090285554.db2.gz NOPPZBONNDYHFI-KZNAEPCWSA-N 1 3 319.493 2.360 20 0 DEADHO CC(C)=CCN1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001084422149 1090285559 /nfs/dbraw/zinc/28/55/59/1090285559.db2.gz NOPPZBONNDYHFI-KZNAEPCWSA-N 1 3 319.493 2.360 20 0 DEADHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCCN3CCCC(C)(C)C3)C[N@@H+]2C1 ZINC001412081232 1091139727 /nfs/dbraw/zinc/13/97/27/1091139727.db2.gz XGVHVINPHOUARL-BRWVUGGUSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCCN3CCCC(C)(C)C3)C[N@H+]2C1 ZINC001412081232 1091139735 /nfs/dbraw/zinc/13/97/35/1091139735.db2.gz XGVHVINPHOUARL-BRWVUGGUSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)N(CC[N@@H+](C)CC[C@H](C)F)C(=O)CN1CC[C@H](C)C1 ZINC001411195709 1091403943 /nfs/dbraw/zinc/40/39/43/1091403943.db2.gz RWSQLMUKKYRNOB-HOTGVXAUSA-N 1 3 315.477 2.245 20 0 DEADHO CC(C)N(CC[N@H+](C)CC[C@H](C)F)C(=O)CN1CC[C@H](C)C1 ZINC001411195709 1091403944 /nfs/dbraw/zinc/40/39/44/1091403944.db2.gz RWSQLMUKKYRNOB-HOTGVXAUSA-N 1 3 315.477 2.245 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(C)(C)N1CCCCC1 ZINC001412443101 1091412695 /nfs/dbraw/zinc/41/26/95/1091412695.db2.gz DLQIQKSKQIPGND-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(C)(C)N1CCCCC1 ZINC001412443101 1091412701 /nfs/dbraw/zinc/41/27/01/1091412701.db2.gz DLQIQKSKQIPGND-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1CN(C)C ZINC001274887109 1091457444 /nfs/dbraw/zinc/45/74/44/1091457444.db2.gz YUABKTPSWJOOAY-MQVJKMGUSA-N 1 3 301.434 2.103 20 0 DEADHO CCC(CC)C[N@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001275069090 1091538923 /nfs/dbraw/zinc/53/89/23/1091538923.db2.gz FKEDPFVHAIVKRZ-CALCHBBNSA-N 1 3 309.498 2.155 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001275069090 1091538931 /nfs/dbraw/zinc/53/89/31/1091538931.db2.gz FKEDPFVHAIVKRZ-CALCHBBNSA-N 1 3 309.498 2.155 20 0 DEADHO Cc1cc(C)c(CN2CC3(CN(CC[NH+](C)C)C3)C2)c(C)c1 ZINC001275286838 1091653364 /nfs/dbraw/zinc/65/33/64/1091653364.db2.gz DOSNCLMLFYBOBO-UHFFFAOYSA-N 1 3 301.478 2.291 20 0 DEADHO Cc1ccncc1CN[C@@]12CC[C@@]([NH2+]CCN(C)C)(C1)CCC2 ZINC001276198185 1091681143 /nfs/dbraw/zinc/68/11/43/1091681143.db2.gz WTLTUMXNLPKCLR-MOPGFXCFSA-N 1 3 316.493 2.476 20 0 DEADHO CC(C)=CC[N@H+]1CCC[C@@H](N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000948813239 1091950313 /nfs/dbraw/zinc/95/03/13/1091950313.db2.gz XQGJCKSVHGJDIZ-MRXNPFEDSA-N 1 3 304.438 2.231 20 0 DEADHO CC(C)=CC[N@@H+]1CCC[C@@H](N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000948813239 1091950322 /nfs/dbraw/zinc/95/03/22/1091950322.db2.gz XQGJCKSVHGJDIZ-MRXNPFEDSA-N 1 3 304.438 2.231 20 0 DEADHO CCN(CC[NH2+]CC1CCCC1)C(=O)[C@H]1CCCCN1CC ZINC001273771991 1092041969 /nfs/dbraw/zinc/04/19/69/1092041969.db2.gz PAQQOMKTADUSGN-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO C[N@@H+]1CCC2(C1)CCN(Cc1scc3c1OCCO3)CC2 ZINC001275810653 1092166720 /nfs/dbraw/zinc/16/67/20/1092166720.db2.gz HXQVNAGPPLFYLS-UHFFFAOYSA-N 1 3 308.447 2.437 20 0 DEADHO C[N@H+]1CCC2(C1)CCN(Cc1scc3c1OCCO3)CC2 ZINC001275810653 1092166722 /nfs/dbraw/zinc/16/67/22/1092166722.db2.gz HXQVNAGPPLFYLS-UHFFFAOYSA-N 1 3 308.447 2.437 20 0 DEADHO COc1ccc(CN2CC3(C2)CCN(CC[NH+](C)C)C3)cc1C ZINC001275829084 1092191660 /nfs/dbraw/zinc/19/16/60/1092191660.db2.gz PHVUXFONIXIPFE-UHFFFAOYSA-N 1 3 317.477 2.073 20 0 DEADHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1cccc(Cl)c1 ZINC001273910541 1092500674 /nfs/dbraw/zinc/50/06/74/1092500674.db2.gz POFVMXVGKWXNOH-RXYHWBRQSA-N 1 3 321.852 2.196 20 0 DEADHO CN(C[C@H]1CCN1CCCc1ccccc1)C(=O)CC[NH+](C)C ZINC001488656668 1092671056 /nfs/dbraw/zinc/67/10/56/1092671056.db2.gz YWAYOERPQMJQOA-GOSISDBHSA-N 1 3 317.477 2.104 20 0 DEADHO CC[C@@H](C(=O)NCCC[N@H+](C)C[C@H]1CCC(F)(F)C1)N(C)C ZINC001490250140 1093260108 /nfs/dbraw/zinc/26/01/08/1093260108.db2.gz CWHNQXPVTIAUEO-KBPBESRZSA-N 1 3 319.440 2.200 20 0 DEADHO CC[C@@H](C(=O)NCCC[N@@H+](C)C[C@H]1CCC(F)(F)C1)N(C)C ZINC001490250140 1093260111 /nfs/dbraw/zinc/26/01/11/1093260111.db2.gz CWHNQXPVTIAUEO-KBPBESRZSA-N 1 3 319.440 2.200 20 0 DEADHO CCCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001420882656 1171316570 /nfs/dbraw/zinc/31/65/70/1171316570.db2.gz AVUSUCMRRUICGN-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO CCCC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001420882656 1171316575 /nfs/dbraw/zinc/31/65/75/1171316575.db2.gz AVUSUCMRRUICGN-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2ccccc2F)[C@H]1C ZINC001369391453 1148923704 /nfs/dbraw/zinc/92/37/04/1148923704.db2.gz MVNLAIMZGMUJCM-RHSMWYFYSA-N 1 3 321.440 2.247 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2ccccc2F)[C@H]1C ZINC001369391453 1148923711 /nfs/dbraw/zinc/92/37/11/1148923711.db2.gz MVNLAIMZGMUJCM-RHSMWYFYSA-N 1 3 321.440 2.247 20 0 DEADHO CC(C)[N@@H+]1CC[C@](C)(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001421222153 1171603560 /nfs/dbraw/zinc/60/35/60/1171603560.db2.gz NFDPJXFKKNGOOS-DLBZAZTESA-N 1 3 313.461 2.188 20 0 DEADHO CC(C)[N@H+]1CC[C@](C)(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001421222153 1171603562 /nfs/dbraw/zinc/60/35/62/1171603562.db2.gz NFDPJXFKKNGOOS-DLBZAZTESA-N 1 3 313.461 2.188 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccccc1F ZINC001368895391 1148753892 /nfs/dbraw/zinc/75/38/92/1148753892.db2.gz ORZKWFOWLAKTRA-UONOGXRCSA-N 1 3 309.429 2.149 20 0 DEADHO C[C@H]([NH3+])CN1CCC2(C[C@H](N(C)Cc3cccs3)CO2)CC1 ZINC001235524331 1138331749 /nfs/dbraw/zinc/33/17/49/1138331749.db2.gz BZUHKUKKZBQYHZ-GJZGRUSLSA-N 1 3 323.506 2.151 20 0 DEADHO Nc1cc(Br)ccc1CN1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321277 1138351912 /nfs/dbraw/zinc/35/19/12/1138351912.db2.gz ZDVCLBOHALBBNM-TXEJJXNPSA-N 1 3 324.266 2.463 20 0 DEADHO Nc1cccc2c1CCN(Cc1ccccc1N1CC[NH2+]CC1)C2 ZINC001236364337 1138356424 /nfs/dbraw/zinc/35/64/24/1138356424.db2.gz YBBGQOOLRURMEO-UHFFFAOYSA-N 1 3 322.456 2.237 20 0 DEADHO Cc1ccc(C)c(NC(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)c1 ZINC001239214508 1138989388 /nfs/dbraw/zinc/98/93/88/1138989388.db2.gz HGNOASFUDLQBLJ-HNNXBMFYSA-N 1 3 316.449 2.299 20 0 DEADHO C[C@@H](NC(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1)C1CCCCC1 ZINC001239214299 1138989789 /nfs/dbraw/zinc/98/97/89/1138989789.db2.gz GOMFPONFIYKAQH-ZBFHGGJFSA-N 1 3 322.497 2.129 20 0 DEADHO Cc1cc(NC(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)ccc1F ZINC001239215122 1138989845 /nfs/dbraw/zinc/98/98/45/1138989845.db2.gz JHLCDOHBDGPBPB-AWEZNQCLSA-N 1 3 320.412 2.130 20 0 DEADHO Cc1ccc(F)cc1NC(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239216926 1138990548 /nfs/dbraw/zinc/99/05/48/1138990548.db2.gz PQYMCAOQUCFJAC-AWEZNQCLSA-N 1 3 320.412 2.130 20 0 DEADHO Cc1cc(C)c(NC(=S)NCCC[NH2+]CCCN)c(C)c1 ZINC001239396757 1139035185 /nfs/dbraw/zinc/03/51/85/1139035185.db2.gz NFLBGXUDMDLZRY-UHFFFAOYSA-N 1 3 308.495 2.227 20 0 DEADHO CC(C)(C)C(=O)Nc1ccc(CN)nc1C=C1CC[NH2+]CC1 ZINC001240873405 1139672391 /nfs/dbraw/zinc/67/23/91/1139672391.db2.gz DSYHQHZUJMUWFP-UHFFFAOYSA-N 1 3 302.422 2.292 20 0 DEADHO CC(C)(C)c1ccc(OC[C@@H](O)CNC[C@@H]2CCC[NH2+]C2)cc1 ZINC001245984083 1140841012 /nfs/dbraw/zinc/84/10/12/1140841012.db2.gz UZEFLXAOVADPLG-WBVHZDCISA-N 1 3 320.477 2.313 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@H]1CNC[C@@H](O)COc1ccc(Cl)cc1 ZINC001245980398 1140841633 /nfs/dbraw/zinc/84/16/33/1140841633.db2.gz DFSUYWDBSHAGJG-KCQAQPDRSA-N 1 3 312.841 2.057 20 0 DEADHO O=C(OC1CCC([NH2+]C2CCNCC2)CC1)c1ccccc1 ZINC001246080637 1140857961 /nfs/dbraw/zinc/85/79/61/1140857961.db2.gz RUAPAIWXKWAXOL-UHFFFAOYSA-N 1 3 302.418 2.496 20 0 DEADHO C[C@@H]1CC[C@@H](CN[C@H]2CCCN(C(=O)c3ccccc3)C2)C[NH2+]1 ZINC001246096957 1140860722 /nfs/dbraw/zinc/86/07/22/1140860722.db2.gz NUWRQSNYMPJHNC-NUJGCVRESA-N 1 3 315.461 2.269 20 0 DEADHO C[C@@H]1CC[C@H](NC[C@H]2CCC(=O)N(Cc3ccccc3)C2)C[NH2+]1 ZINC001246326793 1140884235 /nfs/dbraw/zinc/88/42/35/1140884235.db2.gz HJXIRGKFCJLJLP-NXHRZFHOSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC(=O)N(Cc3ccccc3)C2)CCN1 ZINC001246327064 1140884483 /nfs/dbraw/zinc/88/44/83/1140884483.db2.gz HQQZUFXGHJQUGR-NJAFHUGGSA-N 1 3 315.461 2.155 20 0 DEADHO Fc1cccc(F)c1CN1CCC([NH2+]C2CCNCC2)CC1 ZINC001246353809 1140887643 /nfs/dbraw/zinc/88/76/43/1140887643.db2.gz GDTHSNKVUPZBKI-UHFFFAOYSA-N 1 3 309.404 2.271 20 0 DEADHO C[C@H]1C[C@H]([NH2+]C2CCN(C(=O)c3cccc(F)c3)CC2)CCN1 ZINC001246354633 1140887739 /nfs/dbraw/zinc/88/77/39/1140887739.db2.gz XLVYUBGAVXHCAW-SUMWQHHRSA-N 1 3 319.424 2.160 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CC2(Cc3ccccn3)CCOCC2)CCN1 ZINC001246386199 1140892471 /nfs/dbraw/zinc/89/24/71/1140892471.db2.gz GADSZTOMJVEHBG-JKSUJKDBSA-N 1 3 303.450 2.151 20 0 DEADHO C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)c3ccccc3)CC2)CCN1 ZINC001246446268 1140899858 /nfs/dbraw/zinc/89/98/58/1140899858.db2.gz LWZJOIMYYBJQFC-DKIMLUQUSA-N 1 3 315.461 2.458 20 0 DEADHO COc1cc2c(cc1OC)C[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)CC2 ZINC001246465385 1140910974 /nfs/dbraw/zinc/91/09/74/1140910974.db2.gz XVKRRFWKLCQTSJ-DAXOMENPSA-N 1 3 304.434 2.291 20 0 DEADHO C[C@H]1C[N@@H+]([C@@H]2CCCN(C(=O)c3ccccc3)CC2)C[C@H]1CN ZINC001246543030 1140948326 /nfs/dbraw/zinc/94/83/26/1140948326.db2.gz RJMNSEWZLJSZCV-CGTJXYLNSA-N 1 3 315.461 2.208 20 0 DEADHO C[C@H]1C[N@H+]([C@@H]2CCCN(C(=O)c3ccccc3)CC2)C[C@H]1CN ZINC001246543030 1140948346 /nfs/dbraw/zinc/94/83/46/1140948346.db2.gz RJMNSEWZLJSZCV-CGTJXYLNSA-N 1 3 315.461 2.208 20 0 DEADHO C[C@H]1C[N@@H+]([C@H]2CCC(=O)N(Cc3ccccc3)CC2)C[C@H]1CN ZINC001246544205 1140951814 /nfs/dbraw/zinc/95/18/14/1140951814.db2.gz WPCCNMLOSSOPHE-JQHSSLGASA-N 1 3 315.461 2.094 20 0 DEADHO C[C@H]1C[N@H+]([C@H]2CCC(=O)N(Cc3ccccc3)CC2)C[C@H]1CN ZINC001246544205 1140951827 /nfs/dbraw/zinc/95/18/27/1140951827.db2.gz WPCCNMLOSSOPHE-JQHSSLGASA-N 1 3 315.461 2.094 20 0 DEADHO C[C@H](CSc1ccc(F)cc1)N1CCCC[C@](O)(C[NH3+])C1 ZINC001246562573 1140968101 /nfs/dbraw/zinc/96/81/01/1140968101.db2.gz UJVPXWXISDPKDW-CJNGLKHVSA-N 1 3 312.454 2.482 20 0 DEADHO C[C@H](CSc1ccc(F)cc1)[N@@H+]1CCCC[C@](O)(CN)C1 ZINC001246562573 1140968114 /nfs/dbraw/zinc/96/81/14/1140968114.db2.gz UJVPXWXISDPKDW-CJNGLKHVSA-N 1 3 312.454 2.482 20 0 DEADHO C[C@H](CSc1ccc(F)cc1)[N@H+]1CCCC[C@](O)(CN)C1 ZINC001246562573 1140968124 /nfs/dbraw/zinc/96/81/24/1140968124.db2.gz UJVPXWXISDPKDW-CJNGLKHVSA-N 1 3 312.454 2.482 20 0 DEADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCC[C@@H](CN)C1)C2 ZINC001246589268 1140992305 /nfs/dbraw/zinc/99/23/05/1140992305.db2.gz DTPYTJSLEMZGTF-JONQDZQNSA-N 1 3 309.454 2.199 20 0 DEADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCC[C@@H](CN)C1)C2 ZINC001246589268 1140992316 /nfs/dbraw/zinc/99/23/16/1140992316.db2.gz DTPYTJSLEMZGTF-JONQDZQNSA-N 1 3 309.454 2.199 20 0 DEADHO CCOC(=O)[C@@]12C[N@@H+]([C@H]3CCC[C@@H](C)C3)C[C@@H]1CNCCC2 ZINC001246599255 1140996898 /nfs/dbraw/zinc/99/68/98/1140996898.db2.gz BRVFBYLDMOARFC-CVYDXHPNSA-N 1 3 308.466 2.430 20 0 DEADHO CCOC(=O)[C@@]12C[N@H+]([C@H]3CCC[C@@H](C)C3)C[C@@H]1CNCCC2 ZINC001246599255 1140996908 /nfs/dbraw/zinc/99/69/08/1140996908.db2.gz BRVFBYLDMOARFC-CVYDXHPNSA-N 1 3 308.466 2.430 20 0 DEADHO Fc1ccc2c(c1)CC[C@H](N1CC[NH2+]C[C@@]3(CCCCN3)C1)C2 ZINC001246637091 1141016999 /nfs/dbraw/zinc/01/69/99/1141016999.db2.gz XSSKYLFZYDRHQV-OALUTQOASA-N 1 3 317.452 2.101 20 0 DEADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)CCN1 ZINC001246731206 1141046547 /nfs/dbraw/zinc/04/65/47/1141046547.db2.gz VCOFVUYAGFWFNI-BZZMCLGOSA-N 1 3 313.445 2.397 20 0 DEADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)CCN1 ZINC001246731206 1141046557 /nfs/dbraw/zinc/04/65/57/1141046557.db2.gz VCOFVUYAGFWFNI-BZZMCLGOSA-N 1 3 313.445 2.397 20 0 DEADHO CC[C@@H]1CO[C@@](C)(CCC(C)C)N1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246845723 1141084957 /nfs/dbraw/zinc/08/49/57/1141084957.db2.gz NGALVRQMKSJSHL-ZACQAIPSSA-N 1 3 309.498 2.344 20 0 DEADHO C[C@@H]1C[C@H]([N@@H+]2CCCC[C@H]2[C@@H](C(N)=O)c2ccccc2)CCN1 ZINC001246848312 1141085071 /nfs/dbraw/zinc/08/50/71/1141085071.db2.gz OCRUFLRCEBLQRW-BGTYHANMSA-N 1 3 315.461 2.251 20 0 DEADHO C[C@@H]1C[C@H]([N@H+]2CCCC[C@H]2[C@@H](C(N)=O)c2ccccc2)CCN1 ZINC001246848312 1141085081 /nfs/dbraw/zinc/08/50/81/1141085081.db2.gz OCRUFLRCEBLQRW-BGTYHANMSA-N 1 3 315.461 2.251 20 0 DEADHO FC(F)(F)[C@@H]1CNCCN1[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246985771 1141218347 /nfs/dbraw/zinc/21/83/47/1141218347.db2.gz CAEMDWMGCKQMTB-STQMWFEESA-N 1 3 305.388 2.277 20 0 DEADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCOC(=O)N(C)C ZINC001321394810 1141226909 /nfs/dbraw/zinc/22/69/09/1141226909.db2.gz QMZIELQWXJVKOS-WBVHZDCISA-N 1 3 319.449 2.185 20 0 DEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCOC(=O)N(C)C ZINC001321394810 1141226931 /nfs/dbraw/zinc/22/69/31/1141226931.db2.gz QMZIELQWXJVKOS-WBVHZDCISA-N 1 3 319.449 2.185 20 0 DEADHO [NH3+]C[C@H]1CC[C@H](c2nc(-c3ccc4c(n3)CCNC4)no2)CC1 ZINC001247636010 1141396442 /nfs/dbraw/zinc/39/64/42/1141396442.db2.gz XPSZOUFKCAJPGL-HAQNSBGRSA-N 1 3 313.405 2.010 20 0 DEADHO CN(CCC[NH2+]CCCCC(F)(F)F)C(=O)[C@H]1CCCN1C ZINC001322648508 1141663782 /nfs/dbraw/zinc/66/37/82/1141663782.db2.gz MXAJXHOMXYZHCA-CYBMUJFWSA-N 1 3 323.403 2.251 20 0 DEADHO CCN1C[C@H]2C[NH+](Cc3ccc(-c4ccn(C)n4)cc3)C[C@@H]2C1 ZINC001248768339 1141814520 /nfs/dbraw/zinc/81/45/20/1141814520.db2.gz TUKSNDWQTNKUHT-ROUUACIJSA-N 1 3 310.445 2.471 20 0 DEADHO C[NH+](C)CCC(C)(C)NC[C@@H](O)COc1ccc(Cl)cc1 ZINC001250686345 1142267225 /nfs/dbraw/zinc/26/72/25/1142267225.db2.gz UFUXYPHEXKYHHV-CQSZACIVSA-N 1 3 314.857 2.400 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@@H](O)COc1ccc(F)cc1)C2 ZINC001251945886 1142558362 /nfs/dbraw/zinc/55/83/62/1142558362.db2.gz CVLATVFEABOSHE-WCXIOVBPSA-N 1 3 322.424 2.170 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@@H](O)COc1ccc(F)cc1)C2 ZINC001251945886 1142558381 /nfs/dbraw/zinc/55/83/81/1142558381.db2.gz CVLATVFEABOSHE-WCXIOVBPSA-N 1 3 322.424 2.170 20 0 DEADHO CCC[C@H](O)C[NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1 ZINC001252800051 1142818469 /nfs/dbraw/zinc/81/84/69/1142818469.db2.gz BLXTYLPPTVPRNI-IBGZPJMESA-N 1 3 319.493 2.075 20 0 DEADHO CC[C@H](C(=O)N1C[C@H]([NH2+]CCCCCF)C(C)(C)C1)N(C)C ZINC001278685283 1142825501 /nfs/dbraw/zinc/82/55/01/1142825501.db2.gz WDBSDRYEPHALFK-CABCVRRESA-N 1 3 315.477 2.293 20 0 DEADHO CCN(CC)C[C@@H](O)C[N@@H+]1CC[C@@H](c2cccc(OC)c2)C1 ZINC001253192444 1142851568 /nfs/dbraw/zinc/85/15/68/1142851568.db2.gz QONYPEHHUONNRL-IAGOWNOFSA-N 1 3 306.450 2.187 20 0 DEADHO CCN(CC)C[C@@H](O)C[N@H+]1CC[C@@H](c2cccc(OC)c2)C1 ZINC001253192444 1142851570 /nfs/dbraw/zinc/85/15/70/1142851570.db2.gz QONYPEHHUONNRL-IAGOWNOFSA-N 1 3 306.450 2.187 20 0 DEADHO CCN(CC)C[C@H](O)C[NH+]1CCC(c2cccc(O)c2)CC1 ZINC001253192468 1142851635 /nfs/dbraw/zinc/85/16/35/1142851635.db2.gz RCUGSOCWUUFXPW-SFHVURJKSA-N 1 3 306.450 2.274 20 0 DEADHO CC[NH+](CC)C[C@@H](O)CNCCc1c(C)[nH]c2ccc(O)cc21 ZINC001253216889 1142855276 /nfs/dbraw/zinc/85/52/76/1142855276.db2.gz QAQGGFWRFNRPBN-HNNXBMFYSA-N 1 3 319.449 2.017 20 0 DEADHO Cc1[nH]c2ccccc2c1CCNC[C@H](O)C[NH2+]C(C)(C)C ZINC001253403797 1142869457 /nfs/dbraw/zinc/86/94/57/1142869457.db2.gz JZNZFZIGUXCFKF-AWEZNQCLSA-N 1 3 303.450 2.357 20 0 DEADHO Cn1cc(CCNC[C@H](O)C[NH2+]C(C)(C)C)c2ccccc21 ZINC001253406288 1142869940 /nfs/dbraw/zinc/86/99/40/1142869940.db2.gz FLOPVBNRCNEYFG-HNNXBMFYSA-N 1 3 303.450 2.059 20 0 DEADHO Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCN(C(C)C)C[C@H]2C)cc1 ZINC001253851062 1142988262 /nfs/dbraw/zinc/98/82/62/1142988262.db2.gz NUVFFOIAIZHRNR-LMMKCTJWSA-N 1 3 320.477 2.443 20 0 DEADHO C[C@@H]1C[C@H](F)CN1CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254034558 1143030101 /nfs/dbraw/zinc/03/01/01/1143030101.db2.gz MLEQSWDLMFZECV-WBVHZDCISA-N 1 3 306.425 2.446 20 0 DEADHO C[C@@H]1C[C@H](F)C[N@@H+]1CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254034558 1143030109 /nfs/dbraw/zinc/03/01/09/1143030109.db2.gz MLEQSWDLMFZECV-WBVHZDCISA-N 1 3 306.425 2.446 20 0 DEADHO C[C@@H]1C[C@H](F)C[N@H+]1CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254034558 1143030117 /nfs/dbraw/zinc/03/01/17/1143030117.db2.gz MLEQSWDLMFZECV-WBVHZDCISA-N 1 3 306.425 2.446 20 0 DEADHO COC(=O)c1cccc(C[NH2+]CCCN2CCCO[C@H](C)C2)c1 ZINC001339698207 1143082474 /nfs/dbraw/zinc/08/24/74/1143082474.db2.gz QMXSRHBDTGGBPS-OAHLLOKOSA-N 1 3 320.433 2.064 20 0 DEADHO CN1CCC[C@@H]([NH2+]Cc2cccc(N3CCCNC3=O)c2)CC1 ZINC001254512865 1143168723 /nfs/dbraw/zinc/16/87/23/1143168723.db2.gz STBUXMLUTWESEP-MRXNPFEDSA-N 1 3 316.449 2.180 20 0 DEADHO CN1CCC[C@H]([N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001254520206 1143181844 /nfs/dbraw/zinc/18/18/44/1143181844.db2.gz MZJMJPBSFOXDOK-HNNXBMFYSA-N 1 3 311.470 2.414 20 0 DEADHO CN1CCC[C@H]([N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001254520206 1143181871 /nfs/dbraw/zinc/18/18/71/1143181871.db2.gz MZJMJPBSFOXDOK-HNNXBMFYSA-N 1 3 311.470 2.414 20 0 DEADHO C[N@@H+]1CCC[C@@H](N2CC3(C2)CCN(Cc2cccnc2)C3)CC1 ZINC001254520423 1143193957 /nfs/dbraw/zinc/19/39/57/1143193957.db2.gz XMXHDBCDGVLTEZ-GOSISDBHSA-N 1 3 314.477 2.074 20 0 DEADHO C[N@H+]1CCC[C@@H](N2CC3(C2)CCN(Cc2cccnc2)C3)CC1 ZINC001254520423 1143193993 /nfs/dbraw/zinc/19/39/93/1143193993.db2.gz XMXHDBCDGVLTEZ-GOSISDBHSA-N 1 3 314.477 2.074 20 0 DEADHO Cc1cncnc1O[C@H]1CCC[N@@H+]([C@@H]2CCCN(C)CC2)C1 ZINC001254531593 1143225820 /nfs/dbraw/zinc/22/58/20/1143225820.db2.gz HUTHRGTUGNVPQH-CVEARBPZSA-N 1 3 304.438 2.113 20 0 DEADHO Cc1cncnc1O[C@H]1CCC[N@H+]([C@@H]2CCCN(C)CC2)C1 ZINC001254531593 1143225843 /nfs/dbraw/zinc/22/58/43/1143225843.db2.gz HUTHRGTUGNVPQH-CVEARBPZSA-N 1 3 304.438 2.113 20 0 DEADHO FC(F)(F)c1nn([C@@H]2CC3CC[NH+](CC3)C2)c2c1CCNC2 ZINC001254865055 1143346157 /nfs/dbraw/zinc/34/61/57/1143346157.db2.gz WEWHTDOKMAQNHK-LLVKDONJSA-N 1 3 314.355 2.204 20 0 DEADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCN1CCCC1)C2 ZINC001255181523 1143473515 /nfs/dbraw/zinc/47/35/15/1143473515.db2.gz YOSILKDKKMIGFJ-PHZGNYQRSA-N 1 3 309.454 2.214 20 0 DEADHO CCCN1C[C@@H]2C[N@H+]([C@@H]3CCC[C@@H](C(=O)OCC)C3)C[C@@H]2C1 ZINC001255377144 1143584070 /nfs/dbraw/zinc/58/40/70/1143584070.db2.gz GHHAGVCDOYADES-WCXIOVBPSA-N 1 3 308.466 2.382 20 0 DEADHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3CCC[C@@H](C(=O)OCC)C3)C[C@@H]2C1 ZINC001255377144 1143584080 /nfs/dbraw/zinc/58/40/80/1143584080.db2.gz GHHAGVCDOYADES-WCXIOVBPSA-N 1 3 308.466 2.382 20 0 DEADHO COc1cccc([C@@H](CO)[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)c1 ZINC001255669487 1143800693 /nfs/dbraw/zinc/80/06/93/1143800693.db2.gz XBSICLFFAACZDH-YCXXCVGLSA-N 1 3 304.434 2.334 20 0 DEADHO CCN(CC)CC[C@H](C)[NH2+]CC1CCN(c2cnccn2)CC1 ZINC001255954051 1143816874 /nfs/dbraw/zinc/81/68/74/1143816874.db2.gz ROLHJNSAEJNEKM-INIZCTEOSA-N 1 3 319.497 2.403 20 0 DEADHO c1ccc2c(c1)C[C@@H]([NH2+]C1CCC(N3CCOCC3)CC1)CO2 ZINC001256675638 1143861045 /nfs/dbraw/zinc/86/10/45/1143861045.db2.gz GOFIWDFZBJBAAZ-LXPRWKDFSA-N 1 3 316.445 2.223 20 0 DEADHO OC1(CC[NH2+]C2CCC(N3CCOCC3)CC2)CCCCC1 ZINC001256677595 1143861387 /nfs/dbraw/zinc/86/13/87/1143861387.db2.gz GIDCCWJZSHLGJT-UHFFFAOYSA-N 1 3 310.482 2.305 20 0 DEADHO Cc1ncsc1CC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256687763 1143862317 /nfs/dbraw/zinc/86/23/17/1143862317.db2.gz IKUVQIGHECVZBB-UHFFFAOYSA-N 1 3 309.479 2.227 20 0 DEADHO COc1cccc(C[C@H](CO)NC2CC[NH+](C(C)C)CC2)c1 ZINC001257208023 1143892735 /nfs/dbraw/zinc/89/27/35/1143892735.db2.gz CLVMMNTVRLAIOL-QGZVFWFLSA-N 1 3 306.450 2.061 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C[NH2+]CC[C@H](C)F)C(C)(C)C ZINC001279028062 1143937432 /nfs/dbraw/zinc/93/74/32/1143937432.db2.gz MMCINAAYBMGLFY-FZMZJTMJSA-N 1 3 312.433 2.129 20 0 DEADHO CC(C)CN1CCC([NH+]2CCC(NC(=O)C3CCC3)CC2)CC1 ZINC001258014064 1143965848 /nfs/dbraw/zinc/96/58/48/1143965848.db2.gz DOEFOMYRMWUGLG-UHFFFAOYSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CN1CCC([NH+]2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC001258014432 1143966182 /nfs/dbraw/zinc/96/61/82/1143966182.db2.gz JZIURLCVZMPAMJ-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[NH+]1CCC(N2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)CC1 ZINC001258014078 1143966208 /nfs/dbraw/zinc/96/62/08/1143966208.db2.gz DXQRCVXMBVALER-IPMKNSEASA-N 1 3 322.493 2.233 20 0 DEADHO CC(C)C[NH+]1CCC(N2CC[C@@H]3[C@@H](CCC(=O)N3C)C2)CC1 ZINC001258019682 1143966376 /nfs/dbraw/zinc/96/63/76/1143966376.db2.gz FHZWMZAPBFZFME-DOTOQJQBSA-N 1 3 307.482 2.050 20 0 DEADHO CCC[NH+]1CCC(N2CC[C@H]3[C@H](CCN3C(=O)C(C)C)C2)CC1 ZINC001258774814 1144040529 /nfs/dbraw/zinc/04/05/29/1144040529.db2.gz PRKGUFVAAZUHKF-AEFFLSMTSA-N 1 3 321.509 2.440 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[NH2+]CCCC1CCCC1 ZINC001265856532 1144747942 /nfs/dbraw/zinc/74/79/42/1144747942.db2.gz PNJUBCRBCJRYEG-CYBMUJFWSA-N 1 3 306.454 2.325 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2C1 ZINC001279396469 1144821685 /nfs/dbraw/zinc/82/16/85/1144821685.db2.gz WPGXTJSDKRCTII-ZKMWYASASA-N 1 3 307.482 2.073 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2C1 ZINC001279396469 1144821686 /nfs/dbraw/zinc/82/16/86/1144821686.db2.gz WPGXTJSDKRCTII-ZKMWYASASA-N 1 3 307.482 2.073 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[C@H](C[NH2+]CCC3CC3)CC2)C1 ZINC001280374494 1144837147 /nfs/dbraw/zinc/83/71/47/1144837147.db2.gz ZCZZCOCCTMNIMC-KBAYOESNSA-N 1 3 321.509 2.393 20 0 DEADHO CC/C=C\CCN1CC[C@@H]1CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001316607310 1144860868 /nfs/dbraw/zinc/86/08/68/1144860868.db2.gz RXYSDZXXTPTURK-MBZYTVFJSA-N 1 3 307.482 2.217 20 0 DEADHO CC/C=C\CCN1CC[C@@H]1CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001316607310 1144860869 /nfs/dbraw/zinc/86/08/69/1144860869.db2.gz RXYSDZXXTPTURK-MBZYTVFJSA-N 1 3 307.482 2.217 20 0 DEADHO CC/C=C\CCN1CC[C@@H]1CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001316607304 1144862149 /nfs/dbraw/zinc/86/21/49/1144862149.db2.gz RXYSDZXXTPTURK-JOGGYFKDSA-N 1 3 307.482 2.217 20 0 DEADHO CC/C=C\CCN1CC[C@@H]1CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001316607304 1144862150 /nfs/dbraw/zinc/86/21/50/1144862150.db2.gz RXYSDZXXTPTURK-JOGGYFKDSA-N 1 3 307.482 2.217 20 0 DEADHO CC/C=C\CC[NH+]1CC([C@@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001282717125 1145142769 /nfs/dbraw/zinc/14/27/69/1145142769.db2.gz PXWSFBBEOYWKBG-IDTUSYRASA-N 1 3 307.482 2.264 20 0 DEADHO CCCN(CCN(C)C)C(=O)[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC001364492219 1145295565 /nfs/dbraw/zinc/29/55/65/1145295565.db2.gz BCZTXNZTWWHXDN-ROUUACIJSA-N 1 3 317.477 2.480 20 0 DEADHO CCCN(CCN(C)C)C(=O)[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC001364492219 1145295573 /nfs/dbraw/zinc/29/55/73/1145295573.db2.gz BCZTXNZTWWHXDN-ROUUACIJSA-N 1 3 317.477 2.480 20 0 DEADHO C[C@@H]1CCC[C@](CNC(=O)N(C)[C@@H]2CCCN(C)C2)([NH+](C)C)C1 ZINC001364507053 1145304410 /nfs/dbraw/zinc/30/44/10/1145304410.db2.gz GAULDTZAJJFQKZ-NUJGCVRESA-N 1 3 324.513 2.233 20 0 DEADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccccc2N(C)C)CC1 ZINC001364578320 1145356058 /nfs/dbraw/zinc/35/60/58/1145356058.db2.gz YRLIDGXGIYABRW-KRWDZBQOSA-N 1 3 318.509 2.116 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H](C)[C@H](C[NH2+]CC3CC3)C2)CC1 ZINC001364635829 1145393154 /nfs/dbraw/zinc/39/31/54/1145393154.db2.gz PZTVHNUGHBLBJJ-FUHWJXTLSA-N 1 3 321.509 2.203 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CCC1CC1)C1CC1 ZINC001283557514 1145519865 /nfs/dbraw/zinc/51/98/65/1145519865.db2.gz RUUKLDSYZCXLFP-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CCOC(=O)c1[nH]c(C)c(CNC[C@@H]2C[NH+]3CCC2CC3)c1C ZINC001364757535 1145543501 /nfs/dbraw/zinc/54/35/01/1145543501.db2.gz KOZIGVVIMDUXSN-OAHLLOKOSA-N 1 3 319.449 2.240 20 0 DEADHO Cc1ccccc1C(=O)N1CCC([NH2+]C[C@@H](C)CN(C)C)CC1 ZINC001365441675 1145871052 /nfs/dbraw/zinc/87/10/52/1145871052.db2.gz AIOBMJXBWCIMHS-OAHLLOKOSA-N 1 3 317.477 2.387 20 0 DEADHO Cc1cc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc(C)n1 ZINC001365511565 1145884084 /nfs/dbraw/zinc/88/40/84/1145884084.db2.gz RIILZYCGHVVNKV-DNVCBOLYSA-N 1 3 316.493 2.156 20 0 DEADHO Cc1cc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc(C)n1 ZINC001365511565 1145884085 /nfs/dbraw/zinc/88/40/85/1145884085.db2.gz RIILZYCGHVVNKV-DNVCBOLYSA-N 1 3 316.493 2.156 20 0 DEADHO CC[C@@H](C)C[N@H+]1CC=C(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001284957743 1145993441 /nfs/dbraw/zinc/99/34/41/1145993441.db2.gz OMKLJFLICOXGGO-HZPDHXFCSA-N 1 3 307.482 2.123 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CC=C(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001284957743 1145993443 /nfs/dbraw/zinc/99/34/43/1145993443.db2.gz OMKLJFLICOXGGO-HZPDHXFCSA-N 1 3 307.482 2.123 20 0 DEADHO CC(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001365801479 1146013974 /nfs/dbraw/zinc/01/39/74/1146013974.db2.gz HHWYRYUYSKCUPR-IAGOWNOFSA-N 1 3 309.498 2.296 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2csc(C)c2)C1)N(C)C ZINC001365842580 1146025595 /nfs/dbraw/zinc/02/55/95/1146025595.db2.gz FWYIHGRKNCORGI-FVQBIDKESA-N 1 3 323.506 2.381 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC12CC[NH+](CC1CCC1)CC2 ZINC001366019749 1147011175 /nfs/dbraw/zinc/01/11/75/1147011175.db2.gz RENVSZJSEQTIIU-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO Cc1ccc(CN[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)c(Cl)c1 ZINC001366127035 1147069051 /nfs/dbraw/zinc/06/90/51/1147069051.db2.gz YOAIGUBLQWFKJB-SHTZXODSSA-N 1 3 323.868 2.337 20 0 DEADHO Cc1cc(F)ccc1C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001366131077 1147070764 /nfs/dbraw/zinc/07/07/64/1147070764.db2.gz LSRKTWCKBDXHHB-QAQDUYKDSA-N 1 3 321.440 2.211 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]C/C=C/Cl)N(C)C ZINC001317191655 1147174926 /nfs/dbraw/zinc/17/49/26/1147174926.db2.gz JGXVYVPTFWEKFH-CYUPMTOZSA-N 1 3 301.862 2.050 20 0 DEADHO Cc1ccc(C[N@@H+](C)CCNC(=O)C2(N(C)C)CCC2)cc1 ZINC001492279916 1147198325 /nfs/dbraw/zinc/19/83/25/1147198325.db2.gz MWRQFRZDOSDTFB-UHFFFAOYSA-N 1 3 303.450 2.027 20 0 DEADHO Cc1ccc(C[N@H+](C)CCNC(=O)C2(N(C)C)CCC2)cc1 ZINC001492279916 1147198329 /nfs/dbraw/zinc/19/83/29/1147198329.db2.gz MWRQFRZDOSDTFB-UHFFFAOYSA-N 1 3 303.450 2.027 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001366365792 1147237176 /nfs/dbraw/zinc/23/71/76/1147237176.db2.gz KYKZZBDBNYDIDX-GUYCJALGSA-N 1 3 321.440 2.248 20 0 DEADHO CC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001366477898 1147301804 /nfs/dbraw/zinc/30/18/04/1147301804.db2.gz PLICMFRCZGJJSC-RHSMWYFYSA-N 1 3 323.456 2.459 20 0 DEADHO Cc1cc(C[NH2+][C@H](C)CCNC(=O)CN2CC[C@@H](C)C2)cs1 ZINC001366486679 1147307038 /nfs/dbraw/zinc/30/70/38/1147307038.db2.gz OMKKRCZASXJYGN-ZIAGYGMSSA-N 1 3 323.506 2.383 20 0 DEADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+]CCCC2CCC2)C1 ZINC001317345138 1147352965 /nfs/dbraw/zinc/35/29/65/1147352965.db2.gz YDQNPFHUWNOFLA-KRWDZBQOSA-N 1 3 307.482 2.101 20 0 DEADHO CC[C@H](C)C[N@H+](C)CCNC(=O)c1cccc(CN(C)C)c1 ZINC001366598454 1147381945 /nfs/dbraw/zinc/38/19/45/1147381945.db2.gz VYONXVQGBRHURY-HNNXBMFYSA-N 1 3 305.466 2.456 20 0 DEADHO CC[C@H](C)C[N@@H+](C)CCNC(=O)c1cccc(CN(C)C)c1 ZINC001366598454 1147381951 /nfs/dbraw/zinc/38/19/51/1147381951.db2.gz VYONXVQGBRHURY-HNNXBMFYSA-N 1 3 305.466 2.456 20 0 DEADHO C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCCN1C)c1ccc(F)cc1 ZINC001366781260 1147555969 /nfs/dbraw/zinc/55/59/69/1147555969.db2.gz XLMMTTGEXRKJEA-XJKSGUPXSA-N 1 3 307.413 2.029 20 0 DEADHO CC(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001366782212 1147557404 /nfs/dbraw/zinc/55/74/04/1147557404.db2.gz PQRBYVWWTBKLQK-NVXWUHKLSA-N 1 3 311.514 2.445 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)CC=C(C)C)C1)N(C)C ZINC001317041390 1147581701 /nfs/dbraw/zinc/58/17/01/1147581701.db2.gz IDRMQRCTJAEILO-SJORKVTESA-N 1 3 309.498 2.463 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC=C(C)C)C1)N(C)C ZINC001317041390 1147581703 /nfs/dbraw/zinc/58/17/03/1147581703.db2.gz IDRMQRCTJAEILO-SJORKVTESA-N 1 3 309.498 2.463 20 0 DEADHO C[C@H](F)CC[NH2+]C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001317149094 1147590072 /nfs/dbraw/zinc/59/00/72/1147590072.db2.gz HBNXGNYDWOGVKR-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001366865609 1147598800 /nfs/dbraw/zinc/59/88/00/1147598800.db2.gz LIRMZMPWRAOUHO-IRXDYDNUSA-N 1 3 309.498 2.155 20 0 DEADHO CC(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001366865609 1147598803 /nfs/dbraw/zinc/59/88/03/1147598803.db2.gz LIRMZMPWRAOUHO-IRXDYDNUSA-N 1 3 309.498 2.155 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[N@H+](C)CC2CC3(CCC3)C2)C1 ZINC001316851279 1147615464 /nfs/dbraw/zinc/61/54/64/1147615464.db2.gz UFLADBMJLAKPFO-MRXNPFEDSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[N@@H+](C)CC2CC3(CCC3)C2)C1 ZINC001316851279 1147615466 /nfs/dbraw/zinc/61/54/66/1147615466.db2.gz UFLADBMJLAKPFO-MRXNPFEDSA-N 1 3 321.509 2.347 20 0 DEADHO C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CCCC1CCCC1 ZINC001366996100 1147629959 /nfs/dbraw/zinc/62/99/59/1147629959.db2.gz JWKVVDLYIHURSN-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H]([NH2+]CC2CC(C)C2)CC1 ZINC001367202597 1147663459 /nfs/dbraw/zinc/66/34/59/1147663459.db2.gz XEFKJWAPAWDWJX-GWEOLNPGSA-N 1 3 309.498 2.390 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](CC1=CCCCC1)C1CC1)N(C)C ZINC001317556600 1147725028 /nfs/dbraw/zinc/72/50/28/1147725028.db2.gz JTRWVSJDOZKBAE-KRWDZBQOSA-N 1 3 307.482 2.408 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](CC1=CCCCC1)C1CC1)N(C)C ZINC001317556600 1147725029 /nfs/dbraw/zinc/72/50/29/1147725029.db2.gz JTRWVSJDOZKBAE-KRWDZBQOSA-N 1 3 307.482 2.408 20 0 DEADHO CCc1cccc(C[NH2+]C[C@@H](C)NC(=O)CN2CC[C@@H](C)C2)c1 ZINC001367695505 1147728345 /nfs/dbraw/zinc/72/83/45/1147728345.db2.gz QILWKHKZUORBJM-HZPDHXFCSA-N 1 3 317.477 2.185 20 0 DEADHO C[C@H](C[NH2+]Cc1ccc(CF)cc1)NC(=O)CN1CC[C@@H](C)C1 ZINC001367695857 1147728504 /nfs/dbraw/zinc/72/85/04/1147728504.db2.gz UFYOIUMZEVDZMV-HUUCEWRRSA-N 1 3 321.440 2.092 20 0 DEADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001367804316 1147749164 /nfs/dbraw/zinc/74/91/64/1147749164.db2.gz MMSORRNUCCMESN-WMZOPIPTSA-N 1 3 317.477 2.498 20 0 DEADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001367804316 1147749165 /nfs/dbraw/zinc/74/91/65/1147749165.db2.gz MMSORRNUCCMESN-WMZOPIPTSA-N 1 3 317.477 2.498 20 0 DEADHO CC(C)C[N@H+](C)C[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001367832179 1147756026 /nfs/dbraw/zinc/75/60/26/1147756026.db2.gz KGMGWOHZOYKQFL-YOEHRIQHSA-N 1 3 315.477 2.291 20 0 DEADHO CC(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001367832179 1147756027 /nfs/dbraw/zinc/75/60/27/1147756027.db2.gz KGMGWOHZOYKQFL-YOEHRIQHSA-N 1 3 315.477 2.291 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H](CC[NH2+]C/C=C\Cl)C2)CCC1 ZINC001326288947 1148070350 /nfs/dbraw/zinc/07/03/50/1148070350.db2.gz PNXJKQCYYAUERT-DFGFTWQDSA-N 1 3 313.873 2.051 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H](CC[NH2+]CC2CCC2)C1)N(C)C ZINC001326353610 1148083802 /nfs/dbraw/zinc/08/38/02/1148083802.db2.gz SIVGUMUXTXXARE-DLBZAZTESA-N 1 3 309.498 2.201 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCC(F)(F)F)C[C@@H]1C ZINC001368105225 1148229807 /nfs/dbraw/zinc/22/98/07/1148229807.db2.gz LNFBCNLNHGODBJ-QWHCGFSZSA-N 1 3 323.403 2.250 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1(C)CC[NH+](CC2CCCC2)CC1 ZINC001368129076 1148257684 /nfs/dbraw/zinc/25/76/84/1148257684.db2.gz WHOLVCVSYXCEEI-UHFFFAOYSA-N 1 3 318.465 2.422 20 0 DEADHO CCN(CC)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076573146 185025063 /nfs/dbraw/zinc/02/50/63/185025063.db2.gz VDVMSRXVYAHGEC-UHFFFAOYSA-N 1 3 303.450 2.240 20 0 DEADHO CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000624787356 365551667 /nfs/dbraw/zinc/55/16/67/365551667.db2.gz XXTMBVMDEULYEP-INIZCTEOSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC[C@H](CO)Cc1c(F)cccc1Cl ZINC000422794883 230213400 /nfs/dbraw/zinc/21/34/00/230213400.db2.gz HEKPNKFDJQPESV-QJPTWQEYSA-N 1 3 302.821 2.346 20 0 DEADHO C[C@H](C[C@H](C)N)[NH2+]C[C@H](CO)Cc1c(F)cccc1Cl ZINC000422794883 230213404 /nfs/dbraw/zinc/21/34/04/230213404.db2.gz HEKPNKFDJQPESV-QJPTWQEYSA-N 1 3 302.821 2.346 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(Cl)c(F)c1 ZINC000152608820 282149169 /nfs/dbraw/zinc/14/91/69/282149169.db2.gz SUSLNSOXVQHKCI-UHFFFAOYSA-N 1 3 315.820 2.045 20 0 DEADHO CCc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000152850230 282155863 /nfs/dbraw/zinc/15/58/63/282155863.db2.gz PNDOMFMUWXMOIB-UHFFFAOYSA-N 1 3 306.454 2.206 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000418249920 529446303 /nfs/dbraw/zinc/44/63/03/529446303.db2.gz URCNHJWQPDGLGI-INIZCTEOSA-N 1 3 318.465 2.078 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418396483 529615311 /nfs/dbraw/zinc/61/53/11/529615311.db2.gz BDLRIXUOYOQHFM-OIISXLGYSA-N 1 3 318.465 2.066 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000417843885 529616215 /nfs/dbraw/zinc/61/62/15/529616215.db2.gz VXXUGGUYGSZVBY-JFIYKMOQSA-N 1 3 303.450 2.273 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CC[C@H](C)[C@@H]3CCCC[C@H]32)CC1 ZINC000613416090 362104668 /nfs/dbraw/zinc/10/46/68/362104668.db2.gz SIGAIWKCBAMISG-RYQLBKOJSA-N 1 3 321.509 2.488 20 0 DEADHO CCc1nc(CN2CCC(C[NH2+][C@H]3CCC[C@H]3N)CC2)cs1 ZINC000422914760 529735697 /nfs/dbraw/zinc/73/56/97/529735697.db2.gz VVTGFLCFOMZSBL-CVEARBPZSA-N 1 3 322.522 2.387 20 0 DEADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000422023647 529949407 /nfs/dbraw/zinc/94/94/07/529949407.db2.gz PLBJBZDDKXGJGF-SFHVURJKSA-N 1 3 324.428 2.413 20 0 DEADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000422023647 529949408 /nfs/dbraw/zinc/94/94/08/529949408.db2.gz PLBJBZDDKXGJGF-SFHVURJKSA-N 1 3 324.428 2.413 20 0 DEADHO CN1CCC[C@@H]1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000299293800 530057765 /nfs/dbraw/zinc/05/77/65/530057765.db2.gz QMFYSMHHLZXMRW-GOSISDBHSA-N 1 3 315.461 2.497 20 0 DEADHO C[C@H](N[C@H]1CCN(c2ccccc2F)C1=O)C1CC[NH+](C)CC1 ZINC000089621428 539412149 /nfs/dbraw/zinc/41/21/49/539412149.db2.gz PRHOWDPECHDRLE-BBRMVZONSA-N 1 3 319.424 2.251 20 0 DEADHO C[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1CN(C)CCO1 ZINC000090575226 539417730 /nfs/dbraw/zinc/41/77/30/539417730.db2.gz QZPXNYQNCYLEGV-MAUKXSAKSA-N 1 3 309.498 2.092 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000091898808 539421970 /nfs/dbraw/zinc/42/19/70/539421970.db2.gz BLPKTLMJDLMXKO-WMZOPIPTSA-N 1 3 306.450 2.220 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000091898808 539421973 /nfs/dbraw/zinc/42/19/73/539421973.db2.gz BLPKTLMJDLMXKO-WMZOPIPTSA-N 1 3 306.450 2.220 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+]2CCC[C@H](CCO)C2)cc1 ZINC000093105857 539429106 /nfs/dbraw/zinc/42/91/06/539429106.db2.gz VCKRVYXCRCCMAZ-MRXNPFEDSA-N 1 3 306.450 2.221 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+]2CCC[C@H](CCO)C2)cc1 ZINC000093105857 539429109 /nfs/dbraw/zinc/42/91/09/539429109.db2.gz VCKRVYXCRCCMAZ-MRXNPFEDSA-N 1 3 306.450 2.221 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])N2CCCC2)cc1 ZINC000237622821 539747682 /nfs/dbraw/zinc/74/76/82/539747682.db2.gz GUDRERSNDXSEPX-SQNIBIBYSA-N 1 3 315.461 2.376 20 0 DEADHO O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1CCCCN1 ZINC000150711410 186059027 /nfs/dbraw/zinc/05/90/27/186059027.db2.gz MBVCMSDZVDDFAT-INIZCTEOSA-N 1 3 307.482 2.434 20 0 DEADHO Cc1cccc([C@H](C)[NH+]2CCC(C(=O)NCCN(C)C)CC2)c1 ZINC000072597180 191198891 /nfs/dbraw/zinc/19/88/91/191198891.db2.gz MVDQKONZGYXGIG-INIZCTEOSA-N 1 3 317.477 2.446 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000358145807 535241672 /nfs/dbraw/zinc/24/16/72/535241672.db2.gz TWCYPQPPJVTGPP-RDJZCZTQSA-N 1 3 324.513 2.423 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000358145807 535241678 /nfs/dbraw/zinc/24/16/78/535241678.db2.gz TWCYPQPPJVTGPP-RDJZCZTQSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H](NCCOCC[NH+](C)C)c1ccnn1-c1ccccc1 ZINC000343452593 540006811 /nfs/dbraw/zinc/00/68/11/540006811.db2.gz IPDSWAMLCMXLLO-OAHLLOKOSA-N 1 3 302.422 2.101 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000357877232 535249896 /nfs/dbraw/zinc/24/98/96/535249896.db2.gz UPKUMLWMGYNDME-YJBOKZPZSA-N 1 3 305.466 2.444 20 0 DEADHO C[C@@H](CC[NH+](C)C)NC[C@H](O)COCc1ccccc1Cl ZINC000049557523 354361411 /nfs/dbraw/zinc/36/14/11/354361411.db2.gz UIEOBMYEPFAVDN-ZFWWWQNUSA-N 1 3 314.857 2.147 20 0 DEADHO CC[NH+](CC)CCNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000065442160 354683696 /nfs/dbraw/zinc/68/36/96/354683696.db2.gz LVPKVVBLBZSHGO-UHFFFAOYSA-N 1 3 324.513 2.236 20 0 DEADHO C[NH+]1CCC(NC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000066042604 354698088 /nfs/dbraw/zinc/69/80/88/354698088.db2.gz UHQJAEGKPAMHIK-UHFFFAOYSA-N 1 3 301.434 2.106 20 0 DEADHO CCC[N@H+](C)CC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000341550135 283056162 /nfs/dbraw/zinc/05/61/62/283056162.db2.gz FRWOXPSDQDEABO-INIZCTEOSA-N 1 3 323.506 2.469 20 0 DEADHO CCC[N@@H+](C)CC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000341550135 283056165 /nfs/dbraw/zinc/05/61/65/283056165.db2.gz FRWOXPSDQDEABO-INIZCTEOSA-N 1 3 323.506 2.469 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000341550135 283056169 /nfs/dbraw/zinc/05/61/69/283056169.db2.gz FRWOXPSDQDEABO-INIZCTEOSA-N 1 3 323.506 2.469 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C2CCN(C)CC2)C1 ZINC000073034644 354938450 /nfs/dbraw/zinc/93/84/50/354938450.db2.gz WTGBETBSQIOYPU-GASCZTMLSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C2CCN(C)CC2)C1 ZINC000073034644 354938452 /nfs/dbraw/zinc/93/84/52/354938452.db2.gz WTGBETBSQIOYPU-GASCZTMLSA-N 1 3 309.498 2.201 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000074327777 355023584 /nfs/dbraw/zinc/02/35/84/355023584.db2.gz MJVAOOOYHKYDTB-IAGOWNOFSA-N 1 3 307.482 2.051 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000074327777 355023586 /nfs/dbraw/zinc/02/35/86/355023586.db2.gz MJVAOOOYHKYDTB-IAGOWNOFSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CC1([NH3+])CCC1 ZINC000382720589 540124261 /nfs/dbraw/zinc/12/42/61/540124261.db2.gz LQYWJHBSOHVTCP-MRXNPFEDSA-N 1 3 315.461 2.381 20 0 DEADHO Cc1cccc(C)c1OC[C@H](O)CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000388084213 540129631 /nfs/dbraw/zinc/12/96/31/540129631.db2.gz BWNSHAWMQHJGLB-GVDBMIGSSA-N 1 3 306.450 2.115 20 0 DEADHO Cc1cccc(C)c1OC[C@H](O)CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000388084213 540129635 /nfs/dbraw/zinc/12/96/35/540129635.db2.gz BWNSHAWMQHJGLB-GVDBMIGSSA-N 1 3 306.450 2.115 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000079944979 355337301 /nfs/dbraw/zinc/33/73/01/355337301.db2.gz SSYHTMABHPSYIY-WMZOPIPTSA-N 1 3 317.477 2.496 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000079944979 355337305 /nfs/dbraw/zinc/33/73/05/355337305.db2.gz SSYHTMABHPSYIY-WMZOPIPTSA-N 1 3 317.477 2.496 20 0 DEADHO CN(C(=O)/C=C/C[NH+](C)C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000080501875 355367519 /nfs/dbraw/zinc/36/75/19/355367519.db2.gz HPXFCAIBQLQROU-HCWHUNCVSA-N 1 3 315.461 2.227 20 0 DEADHO CC(C)N1CCCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000085418323 355493459 /nfs/dbraw/zinc/49/34/59/355493459.db2.gz RIAHKLNISWPYRG-HNNXBMFYSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000361287362 295905330 /nfs/dbraw/zinc/90/53/30/295905330.db2.gz IDHWUMJOBSRQTP-IRXDYDNUSA-N 1 3 324.513 2.425 20 0 DEADHO CO[C@@H]1CC[N@@H+](CC[C@H](C)N2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000451565197 540190537 /nfs/dbraw/zinc/19/05/37/540190537.db2.gz LIDNYHLOZYVWHN-ICUGJSFKSA-N 1 3 312.498 2.479 20 0 DEADHO CO[C@@H]1CC[N@H+](CC[C@H](C)N2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000451565197 540190540 /nfs/dbraw/zinc/19/05/40/540190540.db2.gz LIDNYHLOZYVWHN-ICUGJSFKSA-N 1 3 312.498 2.479 20 0 DEADHO CO[C@@H]1CCN(CC[C@H](C)[N@@H+]2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000451565197 540190530 /nfs/dbraw/zinc/19/05/30/540190530.db2.gz LIDNYHLOZYVWHN-ICUGJSFKSA-N 1 3 312.498 2.479 20 0 DEADHO CO[C@@H]1CCN(CC[C@H](C)[N@H+]2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000451565197 540190533 /nfs/dbraw/zinc/19/05/33/540190533.db2.gz LIDNYHLOZYVWHN-ICUGJSFKSA-N 1 3 312.498 2.479 20 0 DEADHO CCC1(CC)[C@@H]([NH2+]C2CCN(CCN(C)C)CC2)C[C@@H]1OC ZINC000181468312 356082598 /nfs/dbraw/zinc/08/25/98/356082598.db2.gz GZMMQTNQVYLKGD-IRXDYDNUSA-N 1 3 311.514 2.196 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237066885 356294597 /nfs/dbraw/zinc/29/45/97/356294597.db2.gz OHYXFLFNTHNXLD-IAGOWNOFSA-N 1 3 303.450 2.457 20 0 DEADHO CN(CCCNC(=O)CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000302922298 356392364 /nfs/dbraw/zinc/39/23/64/356392364.db2.gz URIYBKZZGNFCBB-KRWDZBQOSA-N 1 3 317.477 2.405 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H]1C)c1ccccc1 ZINC000316030748 356427022 /nfs/dbraw/zinc/42/70/22/356427022.db2.gz DPYBAQRRKDITHE-USXIJHARSA-N 1 3 303.450 2.184 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H]1C)c1ccccc1 ZINC000316030747 356427146 /nfs/dbraw/zinc/42/71/46/356427146.db2.gz DPYBAQRRKDITHE-HYVNUMGLSA-N 1 3 303.450 2.184 20 0 DEADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1CCCCC[NH2+]1 ZINC000321962188 356451304 /nfs/dbraw/zinc/45/13/04/356451304.db2.gz GCLQEWXVWADGAN-ZWKOTPCHSA-N 1 3 315.461 2.472 20 0 DEADHO CN(C)C[C@@H](NC(=O)C[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000237017144 202124088 /nfs/dbraw/zinc/12/40/88/202124088.db2.gz YMBDAHDBYMCWLM-QZTJIDSGSA-N 1 3 311.429 2.496 20 0 DEADHO CC[NH+]1CCC(NC[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000387445186 356704117 /nfs/dbraw/zinc/70/41/17/356704117.db2.gz SXLAXDYTWQHKAR-HNNXBMFYSA-N 1 3 312.841 2.154 20 0 DEADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000578052802 356753672 /nfs/dbraw/zinc/75/36/72/356753672.db2.gz FIBVTQKEZZLJTH-JKSUJKDBSA-N 1 3 322.497 2.081 20 0 DEADHO C[NH+](C)CC1CCN(C[C@H]2CN(c3ccccc3)CCO2)CC1 ZINC000578761867 356868984 /nfs/dbraw/zinc/86/89/84/356868984.db2.gz SFHLLYKBXBMSAB-IBGZPJMESA-N 1 3 317.477 2.165 20 0 DEADHO Cc1nn(-c2ccncc2)cc1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000578859956 356882985 /nfs/dbraw/zinc/88/29/85/356882985.db2.gz IGZVLMJRMMLSEU-ZWKOTPCHSA-N 1 3 311.433 2.053 20 0 DEADHO C[NH+](C)[C@H](CNC(=O)[C@H](N)Cc1ccccc1)C1CCCCC1 ZINC000237198688 202187277 /nfs/dbraw/zinc/18/72/77/202187277.db2.gz VTTRWUGPSPLLRS-QZTJIDSGSA-N 1 3 317.477 2.183 20 0 DEADHO C[C@@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)C1=CCN(C)CC1 ZINC000581544284 357203690 /nfs/dbraw/zinc/20/36/90/357203690.db2.gz VSBXMSUMKTVSMW-DYVFJYSZSA-N 1 3 308.853 2.483 20 0 DEADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H](C)[C@H](C)O)CC2)c1 ZINC000581662036 357225046 /nfs/dbraw/zinc/22/50/46/357225046.db2.gz QTDHOWHPMLOTDY-MSOLQXFVSA-N 1 3 319.493 2.256 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C)C[C@H]3C)CC2)CC1 ZINC000581378588 357178680 /nfs/dbraw/zinc/17/86/80/357178680.db2.gz NYMOCZUYYWLRIJ-HZPDHXFCSA-N 1 3 321.509 2.440 20 0 DEADHO CSC1(CNC(=O)Nc2cccc(C[NH3+])c2)CCN(C)CC1 ZINC000591309920 357704059 /nfs/dbraw/zinc/70/40/59/357704059.db2.gz QQSVMFAZIIIFSN-UHFFFAOYSA-N 1 3 322.478 2.094 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000591865248 357769817 /nfs/dbraw/zinc/76/98/17/357769817.db2.gz OAYDNOXBPIPFDK-ROUUACIJSA-N 1 3 315.461 2.282 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000591865248 357769822 /nfs/dbraw/zinc/76/98/22/357769822.db2.gz OAYDNOXBPIPFDK-ROUUACIJSA-N 1 3 315.461 2.282 20 0 DEADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000661405488 540320144 /nfs/dbraw/zinc/32/01/44/540320144.db2.gz DXPFYJYIKHGUGF-CVEARBPZSA-N 1 3 324.513 2.279 20 0 DEADHO CCN(C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)[C@@H]1CCN(CC)C1 ZINC000664395649 540344892 /nfs/dbraw/zinc/34/48/92/540344892.db2.gz HVAJETCVNAVTOQ-IAGOWNOFSA-N 1 3 324.513 2.090 20 0 DEADHO CCN(C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1)[C@@H]1CCN(CC)C1 ZINC000664395649 540344897 /nfs/dbraw/zinc/34/48/97/540344897.db2.gz HVAJETCVNAVTOQ-IAGOWNOFSA-N 1 3 324.513 2.090 20 0 DEADHO COc1cc2c(c(CN[C@@H]3CC34CC[NH2+]CC4)c1)O[C@H](C)C2 ZINC000666952391 540369430 /nfs/dbraw/zinc/36/94/30/540369430.db2.gz UWVSREYBYJVGJV-MLGOLLRUSA-N 1 3 302.418 2.250 20 0 DEADHO C[C@H]1C[C@H](NC(=O)N2CCN(CCC(C)(C)C)CC2)CC[N@@H+]1C ZINC000341207451 291137288 /nfs/dbraw/zinc/13/72/88/291137288.db2.gz SXBYWAIXSQNIBC-JKSUJKDBSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H]1C[C@H](NC(=O)N2CCN(CCC(C)(C)C)CC2)CC[N@H+]1C ZINC000341207451 291137290 /nfs/dbraw/zinc/13/72/90/291137290.db2.gz SXBYWAIXSQNIBC-JKSUJKDBSA-N 1 3 324.513 2.233 20 0 DEADHO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000276651226 213024216 /nfs/dbraw/zinc/02/42/16/213024216.db2.gz PXCAFALTXZVVRB-SOLBZPMBSA-N 1 3 317.477 2.353 20 0 DEADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNCC1=CCCOC1 ZINC000180985443 199236893 /nfs/dbraw/zinc/23/68/93/199236893.db2.gz KCIAWWFHFURHPX-IBGZPJMESA-N 1 3 316.445 2.080 20 0 DEADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNCC1=CCCOC1 ZINC000180985443 199236895 /nfs/dbraw/zinc/23/68/95/199236895.db2.gz KCIAWWFHFURHPX-IBGZPJMESA-N 1 3 316.445 2.080 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)Nc1cccc(C[NH3+])c1 ZINC000667735037 540517675 /nfs/dbraw/zinc/51/76/75/540517675.db2.gz FXENEPDGWQYBAU-HNNXBMFYSA-N 1 3 304.438 2.387 20 0 DEADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cccc(CN)c1 ZINC000667733393 540516321 /nfs/dbraw/zinc/51/63/21/540516321.db2.gz BVCNTYSANWSTCX-XJKSGUPXSA-N 1 3 302.422 2.236 20 0 DEADHO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000237797250 202357512 /nfs/dbraw/zinc/35/75/12/202357512.db2.gz WIAOOEHYESWBJC-SJORKVTESA-N 1 3 301.434 2.140 20 0 DEADHO [NH3+]C1(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CCCCC1 ZINC000237922466 202391727 /nfs/dbraw/zinc/39/17/27/202391727.db2.gz GPCFWZFZAVBUHE-KRWDZBQOSA-N 1 3 315.461 2.429 20 0 DEADHO O=C([C@@H]1CCCN1C1CC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000427061525 296016429 /nfs/dbraw/zinc/01/64/29/296016429.db2.gz LZYUVOCVMOXFEV-WBAXXEDZSA-N 1 3 317.477 2.089 20 0 DEADHO O=C([C@@H]1CCCN1C1CC1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000427061525 296016431 /nfs/dbraw/zinc/01/64/31/296016431.db2.gz LZYUVOCVMOXFEV-WBAXXEDZSA-N 1 3 317.477 2.089 20 0 DEADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCCc1nc(-c2ccccc2)no1 ZINC000442770581 238073152 /nfs/dbraw/zinc/07/31/52/238073152.db2.gz YEKWTMBQIZBDAG-KGLIPLIRSA-N 1 3 300.406 2.338 20 0 DEADHO COc1cccc(NC(=O)CC[N@H+](C)CCCN2CCCC2)c1 ZINC000281289853 216214439 /nfs/dbraw/zinc/21/44/39/216214439.db2.gz JDXWHAQUORELSJ-UHFFFAOYSA-N 1 3 319.449 2.442 20 0 DEADHO COc1cccc(NC(=O)CC[N@@H+](C)CCCN2CCCC2)c1 ZINC000281289853 216214442 /nfs/dbraw/zinc/21/44/42/216214442.db2.gz JDXWHAQUORELSJ-UHFFFAOYSA-N 1 3 319.449 2.442 20 0 DEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000449329284 240365669 /nfs/dbraw/zinc/36/56/69/240365669.db2.gz NDZLLVYGCRINDG-BZSNNMDCSA-N 1 3 317.477 2.183 20 0 DEADHO O=C(NCC[NH2+]C1CCCCCC1)N[C@H]1CCN(CC2CC2)C1 ZINC000669490856 540843606 /nfs/dbraw/zinc/84/36/06/540843606.db2.gz BKULTBZBPRKFLU-KRWDZBQOSA-N 1 3 322.497 2.082 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669484040 540841911 /nfs/dbraw/zinc/84/19/11/540841911.db2.gz ZWZOGVYYMLHOQI-DLBZAZTESA-N 1 3 318.465 2.250 20 0 DEADHO CC[C@@H](CN1CCCC1)NC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000669529759 540854300 /nfs/dbraw/zinc/85/43/00/540854300.db2.gz BERQPSFTFMHBIZ-KRWDZBQOSA-N 1 3 318.465 2.031 20 0 DEADHO Cc1ncc([C@H](C)N(C)CC2CC[NH+](C[C@H](C)O)CC2)c(C)n1 ZINC000682070102 542259094 /nfs/dbraw/zinc/25/90/94/542259094.db2.gz JPIBUYKYBBEJHG-ZFWWWQNUSA-N 1 3 320.481 2.179 20 0 DEADHO C[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000674087546 541182288 /nfs/dbraw/zinc/18/22/88/541182288.db2.gz ZZTGIPNXQBWMLV-OAHLLOKOSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000675174430 541295478 /nfs/dbraw/zinc/29/54/78/541295478.db2.gz AYNUAURJPWUYIF-CQSZACIVSA-N 1 3 324.513 2.469 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3=CCCC3)CC2)CC1 ZINC000620007682 363931585 /nfs/dbraw/zinc/93/15/85/363931585.db2.gz DDMMGJINYQUNKW-UHFFFAOYSA-N 1 3 319.493 2.409 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621642644 364487285 /nfs/dbraw/zinc/48/72/85/364487285.db2.gz SBBSSKBBYZZZSR-MRXNPFEDSA-N 1 3 309.498 2.347 20 0 DEADHO C[C@@H](NC(=O)N1CCNC(C)(C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000418188463 296065883 /nfs/dbraw/zinc/06/58/83/296065883.db2.gz UMKGYVQBTSCVBP-GDBMZVCRSA-N 1 3 318.465 2.071 20 0 DEADHO CCCN1CCC([NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000675776041 541381761 /nfs/dbraw/zinc/38/17/61/541381761.db2.gz NCXMOIGTTWADQT-MRXNPFEDSA-N 1 3 301.434 2.256 20 0 DEADHO CN(C)CC[N@H+](C)CCCNCc1ncccc1C(F)(F)F ZINC000623087987 364881450 /nfs/dbraw/zinc/88/14/50/364881450.db2.gz ROVONYNUHKOQFJ-UHFFFAOYSA-N 1 3 318.387 2.074 20 0 DEADHO CN(C)CC[N@@H+](C)CCCNCc1ncccc1C(F)(F)F ZINC000623087987 364881457 /nfs/dbraw/zinc/88/14/57/364881457.db2.gz ROVONYNUHKOQFJ-UHFFFAOYSA-N 1 3 318.387 2.074 20 0 DEADHO C[C@@H](NC(=O)N1C[C@@H](C)NC[C@@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000418180784 296071332 /nfs/dbraw/zinc/07/13/32/296071332.db2.gz KTKLUGQSWLPBKK-JYYAWHABSA-N 1 3 318.465 2.070 20 0 DEADHO C[C@](CO)(CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000423107596 291333273 /nfs/dbraw/zinc/33/32/73/291333273.db2.gz LBTRLEVWJDLZKV-INDMIFKZSA-N 1 3 302.462 2.447 20 0 DEADHO CC[NH+]1CCC(CCNCc2cccc(S(C)(=O)=O)c2)CC1 ZINC000449170423 240148610 /nfs/dbraw/zinc/14/86/10/240148610.db2.gz QUSVIJOMZYECPX-UHFFFAOYSA-N 1 3 324.490 2.302 20 0 DEADHO C[C@@H](NC(=O)NC1(C)CC[NH2+]CC1)[C@H](c1ccccc1)N(C)C ZINC000418175444 296075240 /nfs/dbraw/zinc/07/52/40/296075240.db2.gz FVWWWDCKKNHYMD-GDBMZVCRSA-N 1 3 318.465 2.119 20 0 DEADHO C[C@@H]1CSC[C@H]1NCc1ccncc1OCCC[NH+](C)C ZINC000449330847 240382372 /nfs/dbraw/zinc/38/23/72/240382372.db2.gz VWMBJFZRVDDJJR-UKRRQHHQSA-N 1 3 309.479 2.253 20 0 DEADHO CCCN1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000624380691 365402954 /nfs/dbraw/zinc/40/29/54/365402954.db2.gz OYRHAPYVMCSHDB-DOTOQJQBSA-N 1 3 322.497 2.177 20 0 DEADHO CCCN1CC[C@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000624380691 365402957 /nfs/dbraw/zinc/40/29/57/365402957.db2.gz OYRHAPYVMCSHDB-DOTOQJQBSA-N 1 3 322.497 2.177 20 0 DEADHO CCN(Cc1ccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1)C1CC1 ZINC000449747105 241033013 /nfs/dbraw/zinc/03/30/13/241033013.db2.gz IAOUZVLXXJDYBQ-AEFFLSMTSA-N 1 3 313.445 2.105 20 0 DEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H]1CCCN1CC(F)F ZINC000629520252 367231460 /nfs/dbraw/zinc/23/14/60/367231460.db2.gz VJZWOHCHSZBEOF-BPUTZDHNSA-N 1 3 311.420 2.264 20 0 DEADHO Cc1cccc(OCCCNC[C@H](O)C[NH+]2CCCC2)c1C ZINC000629580181 367260998 /nfs/dbraw/zinc/26/09/98/367260998.db2.gz UIYJKUBDJPALEL-KRWDZBQOSA-N 1 3 306.450 2.119 20 0 DEADHO COCc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)o1 ZINC000629650598 367285757 /nfs/dbraw/zinc/28/57/57/367285757.db2.gz XTGHKRVAVDJCLA-IAOVAPTHSA-N 1 3 308.422 2.287 20 0 DEADHO Cc1ccc(CN(C)CCOCC[NH3+])cc1Br ZINC000629662203 367292056 /nfs/dbraw/zinc/29/20/56/367292056.db2.gz GGOMKSUKSJWOAP-UHFFFAOYSA-N 1 3 301.228 2.165 20 0 DEADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000629981095 367417381 /nfs/dbraw/zinc/41/73/81/367417381.db2.gz MVDYJWHVLQOZGG-KDOFPFPSSA-N 1 3 303.450 2.278 20 0 DEADHO CN1CCN(c2cc[nH+]c(NCc3[nH]nc4ccccc43)c2)CC1 ZINC000630961226 367936593 /nfs/dbraw/zinc/93/65/93/367936593.db2.gz NGIAEYSPKCZPRS-UHFFFAOYSA-N 1 3 322.416 2.322 20 0 DEADHO C[C@@H]([NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)[C@@H]1CCCNC1 ZINC000414844260 296114584 /nfs/dbraw/zinc/11/45/84/296114584.db2.gz CPKJRHWKVMQMAX-HUUCEWRRSA-N 1 3 309.498 2.391 20 0 DEADHO CN(C)CCN1CCC([NH2+][C@H]2CCCc3ncccc32)CC1 ZINC000631567564 368290490 /nfs/dbraw/zinc/29/04/90/368290490.db2.gz XJWGPGNOIVMNHL-SFHVURJKSA-N 1 3 302.466 2.075 20 0 DEADHO O=C(N[C@@H]1CCN(CC2CCCC2)C1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000430781002 284056931 /nfs/dbraw/zinc/05/69/31/284056931.db2.gz QVICZUZFYSMYPX-TVFCKZIOSA-N 1 3 319.493 2.288 20 0 DEADHO CN(CCCNC(=O)CC[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000261549151 203076094 /nfs/dbraw/zinc/07/60/94/203076094.db2.gz OGPKISOLDIFNLN-INIZCTEOSA-N 1 3 303.450 2.014 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)N(CC)CC ZINC000261620116 203082346 /nfs/dbraw/zinc/08/23/46/203082346.db2.gz CXUGDNBDVMIHQC-FGTMMUONSA-N 1 3 317.477 2.308 20 0 DEADHO Cc1ccc(NC(=O)CC[C@@H]2CC[NH2+]C2)c(OCCN(C)C)c1 ZINC000261715410 203099757 /nfs/dbraw/zinc/09/97/57/203099757.db2.gz DTBRFWAFDHVQRA-OAHLLOKOSA-N 1 3 319.449 2.264 20 0 DEADHO CC[NH+](CC)Cc1cccc(NC(=O)[C@H](N)C2CCOCC2)c1 ZINC000261979467 203165832 /nfs/dbraw/zinc/16/58/32/203165832.db2.gz MCBWGOGLKGKFMS-QGZVFWFLSA-N 1 3 319.449 2.221 20 0 DEADHO C[C@H](C(=O)NCC[N@H+](C)C1CCCC1)[C@H](N)c1ccccc1 ZINC000262128007 203206474 /nfs/dbraw/zinc/20/64/74/203206474.db2.gz LHMCBCYSMDTYKX-YOEHRIQHSA-N 1 3 303.450 2.313 20 0 DEADHO C[C@H](C(=O)NCC[N@@H+](C)C1CCCC1)[C@H](N)c1ccccc1 ZINC000262128007 203206478 /nfs/dbraw/zinc/20/64/78/203206478.db2.gz LHMCBCYSMDTYKX-YOEHRIQHSA-N 1 3 303.450 2.313 20 0 DEADHO CCC[C@@](C)(N)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000262243186 203238391 /nfs/dbraw/zinc/23/83/91/203238391.db2.gz APGRWRXWKBTYJN-GOSISDBHSA-N 1 3 303.450 2.416 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)N(C)Cc1ccccc1 ZINC000262411087 203286975 /nfs/dbraw/zinc/28/69/75/203286975.db2.gz PIAWRDFAXXHUTN-UXLLHSPISA-N 1 3 303.450 2.011 20 0 DEADHO C[C@@H]1C[C@H](Nc2ccc(CN3CCN(C)CC3)cc2)CC[N@H+]1C ZINC000679004439 541795169 /nfs/dbraw/zinc/79/51/69/541795169.db2.gz LAYCITBJKWSAAS-VQIMIIECSA-N 1 3 316.493 2.329 20 0 DEADHO C[C@@H]1C[C@H](Nc2ccc(CN3CCN(C)CC3)cc2)CC[N@@H+]1C ZINC000679004439 541795167 /nfs/dbraw/zinc/79/51/67/541795167.db2.gz LAYCITBJKWSAAS-VQIMIIECSA-N 1 3 316.493 2.329 20 0 DEADHO C[NH+]1CCC(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000266157433 205144932 /nfs/dbraw/zinc/14/49/32/205144932.db2.gz PHVRDZHKTAIIPF-GOSISDBHSA-N 1 3 315.461 2.109 20 0 DEADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCC12CC(C1)CO2 ZINC000530218004 284375841 /nfs/dbraw/zinc/37/58/41/284375841.db2.gz DCSVPLAYLDNWIE-LFAQLLQBSA-N 1 3 300.402 2.011 20 0 DEADHO O=C1[C@@H](N2CCC([C@H]3CC[NH2+]C3)CC2)CCN1C1CCCCC1 ZINC000530222606 284377901 /nfs/dbraw/zinc/37/79/01/284377901.db2.gz SBXHOGJERIFQKA-WMZOPIPTSA-N 1 3 319.493 2.242 20 0 DEADHO C[C@@H](CNC(=O)NCCCCC[NH+]1CCCC1)N(C)C1CC1 ZINC000454648575 246025588 /nfs/dbraw/zinc/02/55/88/246025588.db2.gz KFHPQLDNEIWKGJ-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO CC1CC[NH+](Cc2cccc(CNC(=O)CNC3CC3)c2)CC1 ZINC000154639601 291591777 /nfs/dbraw/zinc/59/17/77/291591777.db2.gz AIECPDAQZJIZMM-UHFFFAOYSA-N 1 3 315.461 2.287 20 0 DEADHO CCOC[C@H](O)CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000267493361 206104527 /nfs/dbraw/zinc/10/45/27/206104527.db2.gz OZBXTASBCNKGRV-YTQUADARSA-N 1 3 320.477 2.369 20 0 DEADHO CCOC[C@H](O)CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000267493361 206104531 /nfs/dbraw/zinc/10/45/31/206104531.db2.gz OZBXTASBCNKGRV-YTQUADARSA-N 1 3 320.477 2.369 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1csc2ccccc12 ZINC000531119047 284513258 /nfs/dbraw/zinc/51/32/58/284513258.db2.gz ZYERYWZYAXMUPL-UHFFFAOYSA-N 1 3 319.474 2.467 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)[C@@H]2CCN(C(C)C)C2)C1 ZINC000458530807 248358691 /nfs/dbraw/zinc/35/86/91/248358691.db2.gz IMRJQXRVHPKLGA-IAGOWNOFSA-N 1 3 324.513 2.088 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N(C)[C@@H]2CCN(C(C)C)C2)C1 ZINC000458530807 248358695 /nfs/dbraw/zinc/35/86/95/248358695.db2.gz IMRJQXRVHPKLGA-IAGOWNOFSA-N 1 3 324.513 2.088 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+][C@H]2CCC[C@H]2CCO)cc1 ZINC000681704631 542192685 /nfs/dbraw/zinc/19/26/85/542192685.db2.gz HDAOCRJFVAJRRX-WMZOPIPTSA-N 1 3 306.450 2.268 20 0 DEADHO CC[NH+](CC)Cc1ccccc1CNC(=O)C1(N)CCCC1 ZINC000236906365 284737643 /nfs/dbraw/zinc/73/76/43/284737643.db2.gz SPAPPBXSJPRNAA-UHFFFAOYSA-N 1 3 303.450 2.416 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H](CN)c1ccccc1 ZINC000178704952 296311051 /nfs/dbraw/zinc/31/10/51/296311051.db2.gz KHKAFJHKIYNGCS-AEFFLSMTSA-N 1 3 317.477 2.500 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H](CN)c1ccccc1 ZINC000178704952 296311052 /nfs/dbraw/zinc/31/10/52/296311052.db2.gz KHKAFJHKIYNGCS-AEFFLSMTSA-N 1 3 317.477 2.500 20 0 DEADHO CC(C)[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)N(C)C ZINC000110636723 194344586 /nfs/dbraw/zinc/34/45/86/194344586.db2.gz GAOVCFVLBLXUCW-INIZCTEOSA-N 1 3 307.438 2.152 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C[C@H](O)CN(C)C2CC2)C1 ZINC000336875512 296314007 /nfs/dbraw/zinc/31/40/07/296314007.db2.gz IABPKFAZWAUNFE-ZIFCJYIRSA-N 1 3 323.525 2.028 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C[C@H](O)CN(C)C2CC2)C1 ZINC000336875512 296314009 /nfs/dbraw/zinc/31/40/09/296314009.db2.gz IABPKFAZWAUNFE-ZIFCJYIRSA-N 1 3 323.525 2.028 20 0 DEADHO COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H](O)CN1CCCC1 ZINC000268862870 207030554 /nfs/dbraw/zinc/03/05/54/207030554.db2.gz SKADJLLMCAZTLZ-CRAIPNDOSA-N 1 3 304.434 2.119 20 0 DEADHO CC[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc2c(c1)CCO2 ZINC000268879769 207047800 /nfs/dbraw/zinc/04/78/00/207047800.db2.gz XMJNMDRSAQEXLU-IAGOWNOFSA-N 1 3 304.434 2.119 20 0 DEADHO COc1ccc(Cl)cc1[C@H](C)NCC1(O)CC[NH+](C)CC1 ZINC000268952479 207115640 /nfs/dbraw/zinc/11/56/40/207115640.db2.gz CMSVZSULVHWULR-LBPRGKRZSA-N 1 3 312.841 2.456 20 0 DEADHO CN(C)CCOc1ccc(CNC(=O)CCCCCC[NH3+])cc1 ZINC000269222567 207341774 /nfs/dbraw/zinc/34/17/74/207341774.db2.gz AISLSGJGMIYBIN-UHFFFAOYSA-N 1 3 321.465 2.152 20 0 DEADHO CN1CCC(N2CC[C@H]([NH2+]C3CCC4(CCCO4)CC3)C2)CC1 ZINC000682642184 542333508 /nfs/dbraw/zinc/33/35/08/542333508.db2.gz SPMZDZBSQAYMRJ-HFCFLWKCSA-N 1 3 321.509 2.236 20 0 DEADHO C[NH+](C)C1(CNC(=O)[C@H](N)Cc2ccccc2)CCCCCC1 ZINC000269246665 207383690 /nfs/dbraw/zinc/38/36/90/207383690.db2.gz VEELBEDYVPBPRO-QGZVFWFLSA-N 1 3 317.477 2.327 20 0 DEADHO C[C@@H](N)C[C@H](C)[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000422908768 532963776 /nfs/dbraw/zinc/96/37/76/532963776.db2.gz ZDLVBCFXDOTYRN-KGLIPLIRSA-N 1 3 320.433 2.179 20 0 DEADHO C[C@@H]([NH3+])C[C@H](C)NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000422908768 532963782 /nfs/dbraw/zinc/96/37/82/532963782.db2.gz ZDLVBCFXDOTYRN-KGLIPLIRSA-N 1 3 320.433 2.179 20 0 DEADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCCOC1CCOCC1 ZINC000422915677 532976310 /nfs/dbraw/zinc/97/63/10/532976310.db2.gz BKABNQVRLXCTOR-CRAIPNDOSA-N 1 3 306.450 2.120 20 0 DEADHO COC1(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CCCCC1 ZINC000682996547 542388880 /nfs/dbraw/zinc/38/88/80/542388880.db2.gz DCESZOONTNMLMH-QGZVFWFLSA-N 1 3 309.498 2.048 20 0 DEADHO COC1(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CCCCC1 ZINC000682996547 542388882 /nfs/dbraw/zinc/38/88/82/542388882.db2.gz DCESZOONTNMLMH-QGZVFWFLSA-N 1 3 309.498 2.048 20 0 DEADHO Cn1cc(CNCC2(O)CC[NH+](C)CC2)c(C2CCCCC2)n1 ZINC000542307093 285217403 /nfs/dbraw/zinc/21/74/03/285217403.db2.gz HMTQHWYOJJEYJI-UHFFFAOYSA-N 1 3 320.481 2.014 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CC[C@@H](C)C1 ZINC000345622001 285246576 /nfs/dbraw/zinc/24/65/76/285246576.db2.gz OFMQQYANKOEBQG-BRWVUGGUSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CC[C@@H](C)C1 ZINC000345622001 285246579 /nfs/dbraw/zinc/24/65/79/285246579.db2.gz OFMQQYANKOEBQG-BRWVUGGUSA-N 1 3 309.498 2.297 20 0 DEADHO CCOCC[C@H](O)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000683518813 542463426 /nfs/dbraw/zinc/46/34/26/542463426.db2.gz TUQZWNMTOJKXLH-SFHVURJKSA-N 1 3 312.498 2.362 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CC12CCCC2 ZINC000354213110 285280661 /nfs/dbraw/zinc/28/06/61/285280661.db2.gz VHCJQEIWBKFYTE-DLBZAZTESA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CC12CCCC2 ZINC000354213110 285280662 /nfs/dbraw/zinc/28/06/62/285280662.db2.gz VHCJQEIWBKFYTE-DLBZAZTESA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000185510911 285286367 /nfs/dbraw/zinc/28/63/67/285286367.db2.gz GRILZBBAKPIECQ-HOTGVXAUSA-N 1 3 310.486 2.034 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000340936668 285286721 /nfs/dbraw/zinc/28/67/21/285286721.db2.gz KCHOGYKHWAPNBH-DLBZAZTESA-N 1 3 324.513 2.280 20 0 DEADHO CCN(C[C@@H](O)C[N@H+](C)C1CC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000289511017 221030612 /nfs/dbraw/zinc/03/06/12/221030612.db2.gz ALERDDDSMXVEBK-YJBOKZPZSA-N 1 3 320.477 2.403 20 0 DEADHO CCN(C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000289511017 221030613 /nfs/dbraw/zinc/03/06/13/221030613.db2.gz ALERDDDSMXVEBK-YJBOKZPZSA-N 1 3 320.477 2.403 20 0 DEADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000683814140 542498979 /nfs/dbraw/zinc/49/89/79/542498979.db2.gz AIHRONPTWHDWIH-HKUYNNGSSA-N 1 3 319.493 2.380 20 0 DEADHO C[C@H]([NH2+]C[C@@H]1CNc2ccnn2C1)[C@H]1CCCN(C2CCC2)C1 ZINC000684201474 542570419 /nfs/dbraw/zinc/57/04/19/542570419.db2.gz OGROAZVAKNUJHM-XHSDSOJGSA-N 1 3 317.481 2.167 20 0 DEADHO CCN1CC[C@@H]([N@H+](C)CCCCCS(=O)(=O)CC)C[C@@H]1C ZINC000354861126 285369754 /nfs/dbraw/zinc/36/97/54/285369754.db2.gz QGBCQOSFKBGRCT-JKSUJKDBSA-N 1 3 318.527 2.396 20 0 DEADHO CCN1CC[C@@H]([N@@H+](C)CCCCCS(=O)(=O)CC)C[C@@H]1C ZINC000354861126 285369755 /nfs/dbraw/zinc/36/97/55/285369755.db2.gz QGBCQOSFKBGRCT-JKSUJKDBSA-N 1 3 318.527 2.396 20 0 DEADHO CCN1CC[C@H]([N@H+](C)CCCCCS(=O)(=O)CC)C[C@H]1C ZINC000354861106 285396212 /nfs/dbraw/zinc/39/62/12/285396212.db2.gz QGBCQOSFKBGRCT-CVEARBPZSA-N 1 3 318.527 2.396 20 0 DEADHO CCN1CC[C@H]([N@@H+](C)CCCCCS(=O)(=O)CC)C[C@H]1C ZINC000354861106 285396213 /nfs/dbraw/zinc/39/62/13/285396213.db2.gz QGBCQOSFKBGRCT-CVEARBPZSA-N 1 3 318.527 2.396 20 0 DEADHO C[C@@H](NC(C)(C)CNC(=O)NCC1([NH3+])CCC1)c1ccccc1 ZINC000417712426 533323385 /nfs/dbraw/zinc/32/33/85/533323385.db2.gz WZNCDTJUROIRKA-CQSZACIVSA-N 1 3 318.465 2.296 20 0 DEADHO C[C@@H](NCc1ccc(OC2CCN(C)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000423099939 533447867 /nfs/dbraw/zinc/44/78/67/533447867.db2.gz FVLMIIPPZFPTBV-BEFAXECRSA-N 1 3 317.477 2.390 20 0 DEADHO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414205937 296470306 /nfs/dbraw/zinc/47/03/06/296470306.db2.gz XVYJUJAWEZUEQX-PIIMJCKOSA-N 1 3 323.525 2.197 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)N(C)C ZINC000684796001 542665844 /nfs/dbraw/zinc/66/58/44/542665844.db2.gz ZHFFNXQSFWQRQZ-IAGOWNOFSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)N(C)C ZINC000684796001 542665847 /nfs/dbraw/zinc/66/58/47/542665847.db2.gz ZHFFNXQSFWQRQZ-IAGOWNOFSA-N 1 3 309.498 2.486 20 0 DEADHO OC[C@@H]1CCC[N@@H+]1CCCCN[C@H]1CCCc2cccnc21 ZINC000684955476 542690662 /nfs/dbraw/zinc/69/06/62/542690662.db2.gz NHEBARDXPNNVAY-IRXDYDNUSA-N 1 3 303.450 2.286 20 0 DEADHO OC[C@@H]1CCC[N@H+]1CCCCN[C@H]1CCCc2cccnc21 ZINC000684955476 542690665 /nfs/dbraw/zinc/69/06/65/542690665.db2.gz NHEBARDXPNNVAY-IRXDYDNUSA-N 1 3 303.450 2.286 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CCN2CCOCC2)CC1 ZINC000340691109 132157622 /nfs/dbraw/zinc/15/76/22/132157622.db2.gz BRKRHKFYLGMFCB-SFHVURJKSA-N 1 3 323.525 2.295 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCC1CCN(CCN2CCOCC2)CC1 ZINC000340691109 132157623 /nfs/dbraw/zinc/15/76/23/132157623.db2.gz BRKRHKFYLGMFCB-SFHVURJKSA-N 1 3 323.525 2.295 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000355635404 133038746 /nfs/dbraw/zinc/03/87/46/133038746.db2.gz KCTFUXPDWZBNRH-HZPDHXFCSA-N 1 3 324.513 2.280 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000355635404 133038747 /nfs/dbraw/zinc/03/87/47/133038747.db2.gz KCTFUXPDWZBNRH-HZPDHXFCSA-N 1 3 324.513 2.280 20 0 DEADHO CC[NH+](CC)CCCC1CCN(CCN2CCCC2=O)CC1 ZINC000359870510 133149827 /nfs/dbraw/zinc/14/98/27/133149827.db2.gz HXEPHPZCBCAOPM-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000360137225 133164831 /nfs/dbraw/zinc/16/48/31/133164831.db2.gz SDLCLHGAXFNMPA-HNNXBMFYSA-N 1 3 324.469 2.082 20 0 DEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000360137225 133164832 /nfs/dbraw/zinc/16/48/32/133164832.db2.gz SDLCLHGAXFNMPA-HNNXBMFYSA-N 1 3 324.469 2.082 20 0 DEADHO COc1cc([C@H](C)N[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1OCCO ZINC000360338764 133176590 /nfs/dbraw/zinc/17/65/90/133176590.db2.gz RMDZEJLODIXQSP-OFQRWUPVSA-N 1 3 322.449 2.057 20 0 DEADHO COc1cc([C@H](C)N[C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1OCCO ZINC000360338764 133176591 /nfs/dbraw/zinc/17/65/91/133176591.db2.gz RMDZEJLODIXQSP-OFQRWUPVSA-N 1 3 322.449 2.057 20 0 DEADHO Cc1ccc(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)c(OCCN(C)C)c1 ZINC000362819663 133252645 /nfs/dbraw/zinc/25/26/45/133252645.db2.gz GDUXRKIHSLOPOG-HUUCEWRRSA-N 1 3 319.449 2.072 20 0 DEADHO Cc1ccc(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)c(OCCN(C)C)c1 ZINC000362819663 133252646 /nfs/dbraw/zinc/25/26/46/133252646.db2.gz GDUXRKIHSLOPOG-HUUCEWRRSA-N 1 3 319.449 2.072 20 0 DEADHO CN1CCC(CC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000368282316 133267454 /nfs/dbraw/zinc/26/74/54/133267454.db2.gz YDEFLXGPBKPCSG-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO N[C@H](CC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000377345158 133326667 /nfs/dbraw/zinc/32/66/67/133326667.db2.gz KBGYFGDGJZAOJS-SJORKVTESA-N 1 3 301.434 2.067 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CCCCN1C1CCCC1)[N@H+](C)C1CC1 ZINC000373038038 133375508 /nfs/dbraw/zinc/37/55/08/133375508.db2.gz ZDQLCRHKUJIHGW-PBHICJAKSA-N 1 3 307.482 2.382 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CCCCN1C1CCCC1)[N@@H+](C)C1CC1 ZINC000373038038 133375509 /nfs/dbraw/zinc/37/55/09/133375509.db2.gz ZDQLCRHKUJIHGW-PBHICJAKSA-N 1 3 307.482 2.382 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000563092504 292030937 /nfs/dbraw/zinc/03/09/37/292030937.db2.gz OICLYCKTDNTEML-YQQAZPJKSA-N 1 3 318.465 2.076 20 0 DEADHO CCN(C)C[C@@H](O)C[NH2+][C@H](c1ccccc1)C1(CO)CCCC1 ZINC000563367564 292050094 /nfs/dbraw/zinc/05/00/94/292050094.db2.gz VIYGVFLJRQHWPW-ZWKOTPCHSA-N 1 3 320.477 2.183 20 0 DEADHO CC[NH+]1CCC(CN[C@@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000564232197 292089739 /nfs/dbraw/zinc/08/97/39/292089739.db2.gz PXMCIBOVJWTBDC-AWEZNQCLSA-N 1 3 305.451 2.277 20 0 DEADHO C[C@H](N[C@@H]1CCC[NH2+]CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000564823682 292113190 /nfs/dbraw/zinc/11/31/90/292113190.db2.gz UIAWJXYANCPCTI-UHOSZYNNSA-N 1 3 317.477 2.008 20 0 DEADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000549041301 285825879 /nfs/dbraw/zinc/82/58/79/285825879.db2.gz SMICNRCEUXFFFL-CGTJXYLNSA-N 1 3 315.461 2.256 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H](O)COCc3cccs3)CC[C@H]21 ZINC000247969280 145145877 /nfs/dbraw/zinc/14/58/77/145145877.db2.gz IUCWIRUYTHTKPN-BFYDXBDKSA-N 1 3 324.490 2.042 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C[C@@H](O)COCc3cccs3)CC[C@H]21 ZINC000247969280 145145879 /nfs/dbraw/zinc/14/58/79/145145879.db2.gz IUCWIRUYTHTKPN-BFYDXBDKSA-N 1 3 324.490 2.042 20 0 DEADHO CN1CCC[C@@H]2C[N@H+](C[C@@H](O)COCc3cccs3)CC[C@H]21 ZINC000247969280 145145880 /nfs/dbraw/zinc/14/58/80/145145880.db2.gz IUCWIRUYTHTKPN-BFYDXBDKSA-N 1 3 324.490 2.042 20 0 DEADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H](O)COCc3cccs3)CC[C@H]21 ZINC000247969280 145145882 /nfs/dbraw/zinc/14/58/82/145145882.db2.gz IUCWIRUYTHTKPN-BFYDXBDKSA-N 1 3 324.490 2.042 20 0 DEADHO COCC[C@](C)(O)CNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000248176686 145150308 /nfs/dbraw/zinc/15/03/08/145150308.db2.gz VRRITLXJJNGJPL-SZMVWBNQSA-N 1 3 312.498 2.407 20 0 DEADHO COCC[C@](C)(O)C[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000248176686 145150310 /nfs/dbraw/zinc/15/03/10/145150310.db2.gz VRRITLXJJNGJPL-SZMVWBNQSA-N 1 3 312.498 2.407 20 0 DEADHO CN1CCC[C@@H]2C[N@H+](C[C@@H](O)CCc3ccccc3)CC[C@@H]21 ZINC000248553718 145158833 /nfs/dbraw/zinc/15/88/33/145158833.db2.gz HOIXSPYGMNIOLF-QYZOEREBSA-N 1 3 302.462 2.396 20 0 DEADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H](O)CCc3ccccc3)CC[C@@H]21 ZINC000248553718 145158834 /nfs/dbraw/zinc/15/88/34/145158834.db2.gz HOIXSPYGMNIOLF-QYZOEREBSA-N 1 3 302.462 2.396 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H](O)CCc3ccccc3)CC[C@@H]21 ZINC000248553718 145158835 /nfs/dbraw/zinc/15/88/35/145158835.db2.gz HOIXSPYGMNIOLF-QYZOEREBSA-N 1 3 302.462 2.396 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C[C@@H](O)CCc3ccccc3)CC[C@@H]21 ZINC000248553718 145158836 /nfs/dbraw/zinc/15/88/36/145158836.db2.gz HOIXSPYGMNIOLF-QYZOEREBSA-N 1 3 302.462 2.396 20 0 DEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000251880335 145196952 /nfs/dbraw/zinc/19/69/52/145196952.db2.gz UUFUFIQTEGFZJD-GVDBMIGSSA-N 1 3 324.513 2.233 20 0 DEADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc2c(c1)C[NH2+]C2 ZINC000261537600 145206058 /nfs/dbraw/zinc/20/60/58/145206058.db2.gz RDLVGRVHIUKHLZ-LJQANCHMSA-N 1 3 321.424 2.294 20 0 DEADHO Cc1ccccc1CN(C)C(=O)CN1CCC([C@@H](C)[NH3+])CC1 ZINC000261925146 145242873 /nfs/dbraw/zinc/24/28/73/145242873.db2.gz IMXMOMSQYLWQKJ-OAHLLOKOSA-N 1 3 303.450 2.013 20 0 DEADHO C[NH2+]CCC1CCN([C@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000261985393 145250103 /nfs/dbraw/zinc/25/01/03/145250103.db2.gz JPQUERUXKUWPOW-OWCLPIDISA-N 1 3 309.498 2.201 20 0 DEADHO CCCc1cccc(CN2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000261989280 145250969 /nfs/dbraw/zinc/25/09/69/145250969.db2.gz KBSHHDQRRFTONH-SFHVURJKSA-N 1 3 317.477 2.459 20 0 DEADHO Cc1ccc(CN2CCCC[C@H]2CNC(=O)CC[NH3+])c(C)c1 ZINC000262063094 145258723 /nfs/dbraw/zinc/25/87/23/145258723.db2.gz RHTQVAUPYOAFLH-KRWDZBQOSA-N 1 3 303.450 2.123 20 0 DEADHO C[C@@H](C(=O)NC[C@@H]1CCCCN1Cc1ccccc1)C1C[NH2+]C1 ZINC000262315317 145275472 /nfs/dbraw/zinc/27/54/72/145275472.db2.gz DIURFJIVPJWJMK-QAPCUYQASA-N 1 3 315.461 2.013 20 0 DEADHO C[C@@H](C[NH3+])C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000262361158 145278826 /nfs/dbraw/zinc/27/88/26/145278826.db2.gz KKHZEFUIZHATPT-LPHOPBHVSA-N 1 3 315.461 2.096 20 0 DEADHO CC(C)C[C@H](N)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336654587 145396660 /nfs/dbraw/zinc/39/66/60/145396660.db2.gz CDTCBKIYYKSLMA-NJAFHUGGSA-N 1 3 317.477 2.387 20 0 DEADHO CC(C)C[C@H](N)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336654587 145396662 /nfs/dbraw/zinc/39/66/62/145396662.db2.gz CDTCBKIYYKSLMA-NJAFHUGGSA-N 1 3 317.477 2.387 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000346168717 146029444 /nfs/dbraw/zinc/02/94/44/146029444.db2.gz URHAXQBKRJDTJO-YYIAUSFCSA-N 1 3 307.482 2.050 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000346168717 146029446 /nfs/dbraw/zinc/02/94/46/146029446.db2.gz URHAXQBKRJDTJO-YYIAUSFCSA-N 1 3 307.482 2.050 20 0 DEADHO COc1ccc(-c2n[nH]cc2CN2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000346690582 146124576 /nfs/dbraw/zinc/12/45/76/146124576.db2.gz UDQDUMNLPGBQOT-STQMWFEESA-N 1 3 300.406 2.254 20 0 DEADHO Cc1ccc(NC(=O)C2CCN(C[C@H]3CCC[NH2+]C3)CC2)nc1 ZINC000346847505 146152735 /nfs/dbraw/zinc/15/27/35/146152735.db2.gz CTCJEJLBVPXDDR-HNNXBMFYSA-N 1 3 316.449 2.040 20 0 DEADHO CCN(CC)C(=O)CCC1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000346957592 146170745 /nfs/dbraw/zinc/17/07/45/146170745.db2.gz CSFOXZUZVGKVLG-QGZVFWFLSA-N 1 3 309.498 2.347 20 0 DEADHO CCN(CC)C(=O)CCC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346957592 146170746 /nfs/dbraw/zinc/17/07/46/146170746.db2.gz CSFOXZUZVGKVLG-QGZVFWFLSA-N 1 3 309.498 2.347 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+](CC)C[C@@H](C)O)CC1 ZINC000348699170 146298971 /nfs/dbraw/zinc/29/89/71/146298971.db2.gz ARHPMEULMVBIQT-MRXNPFEDSA-N 1 3 305.466 2.031 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+](CC)C[C@@H](C)O)CC1 ZINC000348699170 146298974 /nfs/dbraw/zinc/29/89/74/146298974.db2.gz ARHPMEULMVBIQT-MRXNPFEDSA-N 1 3 305.466 2.031 20 0 DEADHO Cc1ccc(NC(=O)N[C@H](C)C[NH+](C)C)c(OCCN(C)C)c1 ZINC000349664194 292154176 /nfs/dbraw/zinc/15/41/76/292154176.db2.gz GRCDIEZTEGNKPY-CQSZACIVSA-N 1 3 322.453 2.007 20 0 DEADHO Cc1ccc(NC(=O)N[C@H](C)CN(C)C)c(OCC[NH+](C)C)c1 ZINC000349664194 292154178 /nfs/dbraw/zinc/15/41/78/292154178.db2.gz GRCDIEZTEGNKPY-CQSZACIVSA-N 1 3 322.453 2.007 20 0 DEADHO CN(C)CCOCC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000349252676 146363494 /nfs/dbraw/zinc/36/34/94/146363494.db2.gz NJFMEVVATZZYKU-UHFFFAOYSA-N 1 3 314.470 2.055 20 0 DEADHO CCCN(C)CC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000349601975 146389474 /nfs/dbraw/zinc/38/94/74/146389474.db2.gz UOQDZJDCDLYUBT-MRXNPFEDSA-N 1 3 305.466 2.355 20 0 DEADHO CCCN(C)CC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000349601975 146389476 /nfs/dbraw/zinc/38/94/76/146389476.db2.gz UOQDZJDCDLYUBT-MRXNPFEDSA-N 1 3 305.466 2.355 20 0 DEADHO c1cc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)c2c(c1)OCCO2 ZINC000357061122 147032781 /nfs/dbraw/zinc/03/27/81/147032781.db2.gz ZPLGYXQANZILPK-OAHLLOKOSA-N 1 3 302.418 2.279 20 0 DEADHO Cc1nn(C)c2ncc(CN3CCC([C@H]4CC[NH2+]C4)CC3)cc12 ZINC000357061287 147032847 /nfs/dbraw/zinc/03/28/47/147032847.db2.gz ZYCXTLKQLWKCGC-INIZCTEOSA-N 1 3 313.449 2.098 20 0 DEADHO CCN(C)c1ccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)cn1 ZINC000357090392 147039727 /nfs/dbraw/zinc/03/97/27/147039727.db2.gz VIDMNUMWVADJSN-KRWDZBQOSA-N 1 3 302.466 2.359 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000358417832 147130289 /nfs/dbraw/zinc/13/02/89/147130289.db2.gz FGYAQAOMBAGSNN-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000358417832 147130293 /nfs/dbraw/zinc/13/02/93/147130293.db2.gz FGYAQAOMBAGSNN-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H](C)C[NH+](C)C)c1 ZINC000358492767 147143731 /nfs/dbraw/zinc/14/37/31/147143731.db2.gz GPMXSKPIQNGLMB-MRXNPFEDSA-N 1 3 320.481 2.018 20 0 DEADHO C[C@@H](NC(=O)CN1CCC2(C1)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000358495826 147145028 /nfs/dbraw/zinc/14/50/28/147145028.db2.gz HUMIYRCJEQJYCC-CQSZACIVSA-N 1 3 319.424 2.078 20 0 DEADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H](C)CN(C)C ZINC000358535063 147152387 /nfs/dbraw/zinc/15/23/87/147152387.db2.gz WTEOLTDGWBONBG-OAHLLOKOSA-N 1 3 320.481 2.230 20 0 DEADHO C[C@H](CN(C)C)NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000358537121 147152412 /nfs/dbraw/zinc/15/24/12/147152412.db2.gz ZESQBDQMKGLNQC-IAGOWNOFSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H]1C[C@@H](C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000358691930 147182747 /nfs/dbraw/zinc/18/27/47/147182747.db2.gz NWRISIGWHUDSFR-BPQIPLTHSA-N 1 3 315.461 2.107 20 0 DEADHO CC[N@H+](CCC1CCN(CC(=O)N2CCC2)CC1)CC(C)C ZINC000358739062 147193512 /nfs/dbraw/zinc/19/35/12/147193512.db2.gz DWRUNWFABJROCK-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CC[N@@H+](CCC1CCN(CC(=O)N2CCC2)CC1)CC(C)C ZINC000358739062 147193514 /nfs/dbraw/zinc/19/35/14/147193514.db2.gz DWRUNWFABJROCK-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO NC[C@H](C(=O)NCC[NH2+]C1CCCCCC1)c1ccc(F)cc1 ZINC000358746568 147195374 /nfs/dbraw/zinc/19/53/74/147195374.db2.gz SRTOFYSIOGBNON-KRWDZBQOSA-N 1 3 321.440 2.297 20 0 DEADHO CCC[NH+]1CCC(CNC(=O)[C@H](CN)c2ccc(F)cc2)CC1 ZINC000358864761 147221888 /nfs/dbraw/zinc/22/18/88/147221888.db2.gz LMFTXAPDLFSGQL-QGZVFWFLSA-N 1 3 321.440 2.106 20 0 DEADHO C[N@H+](CCCNC(=O)N[C@@H]1CCN(C2CC2)C1)C1CCCCC1 ZINC000359376510 147316871 /nfs/dbraw/zinc/31/68/71/147316871.db2.gz TVICBLBLFBDAKH-OAHLLOKOSA-N 1 3 322.497 2.177 20 0 DEADHO C[N@@H+](CCCNC(=O)N[C@@H]1CCN(C2CC2)C1)C1CCCCC1 ZINC000359376510 147316872 /nfs/dbraw/zinc/31/68/72/147316872.db2.gz TVICBLBLFBDAKH-OAHLLOKOSA-N 1 3 322.497 2.177 20 0 DEADHO C[N@H+](CCCNC(=O)N[C@H]1CCN(C2CC2)C1)C1CCCCC1 ZINC000359376508 147317279 /nfs/dbraw/zinc/31/72/79/147317279.db2.gz TVICBLBLFBDAKH-HNNXBMFYSA-N 1 3 322.497 2.177 20 0 DEADHO C[N@@H+](CCCNC(=O)N[C@H]1CCN(C2CC2)C1)C1CCCCC1 ZINC000359376508 147317281 /nfs/dbraw/zinc/31/72/81/147317281.db2.gz TVICBLBLFBDAKH-HNNXBMFYSA-N 1 3 322.497 2.177 20 0 DEADHO COc1cccc([C@H](C[NH2+][C@@H]2CCN(C)C[C@@H]2C)N(C)C)c1 ZINC000359381196 147317804 /nfs/dbraw/zinc/31/78/04/147317804.db2.gz PRRBHNNRSIAVEH-QGTPRVQTSA-N 1 3 305.466 2.228 20 0 DEADHO COc1cccc([C@H](CN[C@@H]2CC[N@H+](C)C[C@@H]2C)N(C)C)c1 ZINC000359381196 147317806 /nfs/dbraw/zinc/31/78/06/147317806.db2.gz PRRBHNNRSIAVEH-QGTPRVQTSA-N 1 3 305.466 2.228 20 0 DEADHO COc1cccc([C@H](CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)N(C)C)c1 ZINC000359381196 147317810 /nfs/dbraw/zinc/31/78/10/147317810.db2.gz PRRBHNNRSIAVEH-QGTPRVQTSA-N 1 3 305.466 2.228 20 0 DEADHO CC[N@H+](C)Cc1cccc(CNC(=O)CN2CCC(C)(C)C2)c1 ZINC000565550382 292170476 /nfs/dbraw/zinc/17/04/76/292170476.db2.gz SXBPXERKZXHOBZ-UHFFFAOYSA-N 1 3 317.477 2.486 20 0 DEADHO CC[N@@H+](C)Cc1cccc(CNC(=O)CN2CCC(C)(C)C2)c1 ZINC000565550382 292170477 /nfs/dbraw/zinc/17/04/77/292170477.db2.gz SXBPXERKZXHOBZ-UHFFFAOYSA-N 1 3 317.477 2.486 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)C3(C)CCCC3)CC2)CC1 ZINC000371586161 148121326 /nfs/dbraw/zinc/12/13/26/148121326.db2.gz PSQXRCDCUCKCNP-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@@H]2CCCCN2CC)CC1 ZINC000111883559 401726827 /nfs/dbraw/zinc/72/68/27/401726827.db2.gz SSLWPCMAVXPBDF-KRWDZBQOSA-N 1 3 324.513 2.377 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NCCC1CC[NH+](CC)CC1 ZINC000074169391 401732355 /nfs/dbraw/zinc/73/23/55/401732355.db2.gz REWFESPASJWYQA-QGZVFWFLSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000127444610 401734996 /nfs/dbraw/zinc/73/49/96/401734996.db2.gz GDVMTPJTLOIGRH-MRXNPFEDSA-N 1 3 322.497 2.131 20 0 DEADHO C[C@@H]1CC[C@@H](CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000126483009 401696463 /nfs/dbraw/zinc/69/64/63/401696463.db2.gz FNHNMMLCJFORRM-HZPDHXFCSA-N 1 3 321.509 2.488 20 0 DEADHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(OC)c2)C1 ZINC000072861172 401713453 /nfs/dbraw/zinc/71/34/53/401713453.db2.gz GVHFTMFDNRZESF-HNNXBMFYSA-N 1 3 319.449 2.297 20 0 DEADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(OC)c2)C1 ZINC000072861172 401713454 /nfs/dbraw/zinc/71/34/54/401713454.db2.gz GVHFTMFDNRZESF-HNNXBMFYSA-N 1 3 319.449 2.297 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN([C@H](C)C2CC2)C2CC2)CC1 ZINC000114455125 401799378 /nfs/dbraw/zinc/79/93/78/401799378.db2.gz NQRNNHUBXKWDOO-CQSZACIVSA-N 1 3 307.482 2.238 20 0 DEADHO C[C@@H](CC[NH2+]C[C@H](O)COc1ccccc1)N1CCCCC1 ZINC000566132050 292208916 /nfs/dbraw/zinc/20/89/16/292208916.db2.gz JFNNKWZKRXIFQV-IRXDYDNUSA-N 1 3 306.450 2.280 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC000076198390 401786179 /nfs/dbraw/zinc/78/61/79/401786179.db2.gz MXRONOJZZZLRLR-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CC[C@@H]1CCCC[C@@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000077777929 401830685 /nfs/dbraw/zinc/83/06/85/401830685.db2.gz QWUISUWDYCWDFZ-CVEARBPZSA-N 1 3 312.502 2.090 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC1CCN(C)CC1 ZINC000079205883 401871417 /nfs/dbraw/zinc/87/14/17/401871417.db2.gz YXOZKGHGEISJGI-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC1CCN(C)CC1 ZINC000079205883 401871418 /nfs/dbraw/zinc/87/14/18/401871418.db2.gz YXOZKGHGEISJGI-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO CCCC(C)(C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000116540466 401854197 /nfs/dbraw/zinc/85/41/97/401854197.db2.gz PIKVDKJRXDKRSM-UHFFFAOYSA-N 1 3 324.513 2.423 20 0 DEADHO Cn1cccc1CNCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000119108696 401926729 /nfs/dbraw/zinc/92/67/29/401926729.db2.gz OLZZAYNHNCQULP-UHFFFAOYSA-N 1 3 313.445 2.272 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCNC(=O)CC1CCCCC1 ZINC000089666717 401956923 /nfs/dbraw/zinc/95/69/23/401956923.db2.gz WQHCBHQDRNIQKH-BFYDXBDKSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCNC(=O)CC1CCCCC1 ZINC000089666717 401956924 /nfs/dbraw/zinc/95/69/24/401956924.db2.gz WQHCBHQDRNIQKH-BFYDXBDKSA-N 1 3 309.498 2.391 20 0 DEADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2cncc(F)c2)CC1 ZINC000121326542 402028823 /nfs/dbraw/zinc/02/88/23/402028823.db2.gz WUUPTCLQXFRUBA-HUUCEWRRSA-N 1 3 308.445 2.145 20 0 DEADHO CN1CCC[C@@H](C[N@H+](C)Cc2ccccc2N2CCOCC2)C1 ZINC000092253850 402003892 /nfs/dbraw/zinc/00/38/92/402003892.db2.gz JPRRQVORIVAYDK-QGZVFWFLSA-N 1 3 317.477 2.297 20 0 DEADHO CN1CCC[C@@H](C[N@@H+](C)Cc2ccccc2N2CCOCC2)C1 ZINC000092253850 402003894 /nfs/dbraw/zinc/00/38/94/402003894.db2.gz JPRRQVORIVAYDK-QGZVFWFLSA-N 1 3 317.477 2.297 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000566193212 292216522 /nfs/dbraw/zinc/21/65/22/292216522.db2.gz VSUBAJYFNRGMIB-JKSUJKDBSA-N 1 3 312.502 2.410 20 0 DEADHO CN(C)Cc1ccc(C(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000101639657 402152178 /nfs/dbraw/zinc/15/21/78/402152178.db2.gz CVEXAEWSNBKERL-UHFFFAOYSA-N 1 3 303.450 2.354 20 0 DEADHO C[C@H](CC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1F ZINC000103213320 402182267 /nfs/dbraw/zinc/18/22/67/402182267.db2.gz YHIOMKZXCHMSCR-OAHLLOKOSA-N 1 3 323.456 2.271 20 0 DEADHO Cc1cc2ncc([C@H](C)[NH2+]C[C@H]3CCN(C4CC4)C3)c(C)n2n1 ZINC000124363431 402176025 /nfs/dbraw/zinc/17/60/25/402176025.db2.gz DJYDGAWHFVZXTJ-DZGCQCFKSA-N 1 3 313.449 2.481 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000125486130 402235435 /nfs/dbraw/zinc/23/54/35/402235435.db2.gz KBELVHFPMZUHHG-HOTGVXAUSA-N 1 3 324.513 2.423 20 0 DEADHO CCN1CCC(NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000155363848 402253885 /nfs/dbraw/zinc/25/38/85/402253885.db2.gz PGKYBHIHJNQMOZ-KRWDZBQOSA-N 1 3 322.497 2.131 20 0 DEADHO CC(C)(C[NH3+])C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000236614152 402368397 /nfs/dbraw/zinc/36/83/97/402368397.db2.gz KZUIMWXTAQGXAJ-CYBMUJFWSA-N 1 3 309.479 2.061 20 0 DEADHO C[C@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC(C)CC1 ZINC000236657276 402371596 /nfs/dbraw/zinc/37/15/96/402371596.db2.gz NLAIKZGGANSHSV-MGNMYUMUSA-N 1 3 307.482 2.144 20 0 DEADHO CC(C)N(CC(=O)Nc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC000236723859 402378589 /nfs/dbraw/zinc/37/85/89/402378589.db2.gz IJYWAMHAHMMBKR-UHFFFAOYSA-N 1 3 307.413 2.474 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000177584477 402417987 /nfs/dbraw/zinc/41/79/87/402417987.db2.gz RYMXBVDNGRUXPF-SJORKVTESA-N 1 3 303.450 2.351 20 0 DEADHO O=C(NC[C@H]1CCC[NH2+]C1)c1cccc(CN2CCCC2)c1 ZINC000237997332 402431234 /nfs/dbraw/zinc/43/12/34/402431234.db2.gz FNLGVHOKDKCOLT-INIZCTEOSA-N 1 3 301.434 2.012 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)c1ccc(C[NH3+])cc1 ZINC000186465096 402433526 /nfs/dbraw/zinc/43/35/26/402433526.db2.gz SJHRYYDUUPBSQM-UHFFFAOYSA-N 1 3 317.458 2.411 20 0 DEADHO CCN1CC[C@@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)[C@H](C)C1 ZINC000177792919 402436651 /nfs/dbraw/zinc/43/66/51/402436651.db2.gz CUVJDUDZDALWCN-BFYDXBDKSA-N 1 3 301.434 2.112 20 0 DEADHO Cc1nn(C)cc1[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000178037060 402454428 /nfs/dbraw/zinc/45/44/28/402454428.db2.gz WZIJAPZKNHHCMU-KFWWJZLASA-N 1 3 308.470 2.269 20 0 DEADHO CC[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)N1CCc2ccccc2C1 ZINC000164184339 402460501 /nfs/dbraw/zinc/46/05/01/402460501.db2.gz OYMHQJZRTPIVTB-DLBZAZTESA-N 1 3 317.477 2.313 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCNC(=O)c1ccccc1Cl ZINC000178170190 402467381 /nfs/dbraw/zinc/46/73/81/402467381.db2.gz GVYBTZRQLQMRQX-WWGRRREGSA-N 1 3 323.868 2.388 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCNC(=O)c1ccccc1Cl ZINC000178170190 402467384 /nfs/dbraw/zinc/46/73/84/402467384.db2.gz GVYBTZRQLQMRQX-WWGRRREGSA-N 1 3 323.868 2.388 20 0 DEADHO C[C@@H](NC(C)(C)CNC(=O)C[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000167622531 402492234 /nfs/dbraw/zinc/49/22/34/402492234.db2.gz NHRXJPZMTPARJU-ZBFHGGJFSA-N 1 3 303.450 2.374 20 0 DEADHO CSCC[C@H](N)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000167623194 402492331 /nfs/dbraw/zinc/49/23/31/402492331.db2.gz AIEHOFBADNBSNA-HIFRSBDPSA-N 1 3 323.506 2.312 20 0 DEADHO C[C@@H](N)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000168571686 402497405 /nfs/dbraw/zinc/49/74/05/402497405.db2.gz CFIKWNHHHAGSIM-MRXNPFEDSA-N 1 3 317.477 2.185 20 0 DEADHO C[C@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)C1CCC1 ZINC000178529886 402507781 /nfs/dbraw/zinc/50/77/81/402507781.db2.gz DASWGIHOEODWRZ-AWEZNQCLSA-N 1 3 303.450 2.256 20 0 DEADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H](CN)c1ccccc1 ZINC000178818440 402543532 /nfs/dbraw/zinc/54/35/32/402543532.db2.gz APDLHXHHDDDXQK-SJORKVTESA-N 1 3 303.450 2.062 20 0 DEADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@@H](CN)c1ccccc1 ZINC000178818440 402543534 /nfs/dbraw/zinc/54/35/34/402543534.db2.gz APDLHXHHDDDXQK-SJORKVTESA-N 1 3 303.450 2.062 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000246857063 402547130 /nfs/dbraw/zinc/54/71/30/402547130.db2.gz CKGRRFNCTSKNKF-BBWFWOEESA-N 1 3 324.513 2.423 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246857103 402547289 /nfs/dbraw/zinc/54/72/89/402547289.db2.gz CKGRRFNCTSKNKF-BRWVUGGUSA-N 1 3 324.513 2.423 20 0 DEADHO CCN(CC1CC[NH2+]CC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000178972986 402560593 /nfs/dbraw/zinc/56/05/93/402560593.db2.gz WPNQICCPSWVPOY-QGZVFWFLSA-N 1 3 301.434 2.113 20 0 DEADHO CN1CCC[C@@H]1CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000171191006 402565429 /nfs/dbraw/zinc/56/54/29/402565429.db2.gz AGSLAJUWPNROIO-QGZVFWFLSA-N 1 3 322.497 2.034 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](NCCOC(F)(F)F)[C@H](C)C1 ZINC000189228049 402532277 /nfs/dbraw/zinc/53/22/77/402532277.db2.gz PXKMEPBREAMGNE-OLZOCXBDSA-N 1 3 312.376 2.249 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](NCCOC(F)(F)F)[C@H](C)C1 ZINC000189228049 402532278 /nfs/dbraw/zinc/53/22/78/402532278.db2.gz PXKMEPBREAMGNE-OLZOCXBDSA-N 1 3 312.376 2.249 20 0 DEADHO C[C@@H](CCNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C)[NH+]1CCCCC1 ZINC000248493268 402593235 /nfs/dbraw/zinc/59/32/35/402593235.db2.gz PBBNJGFSNPMYGL-IXDOHACOSA-N 1 3 324.513 2.233 20 0 DEADHO NC(=O)[C@@H](NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000179755277 402599532 /nfs/dbraw/zinc/59/95/32/402599532.db2.gz MIGOKSYOWTVYBL-SFHVURJKSA-N 1 3 324.428 2.114 20 0 DEADHO CCCC[N@H+](C)CC1CCN(CCN2CCOC[C@H]2C)CC1 ZINC000249022345 402617997 /nfs/dbraw/zinc/61/79/97/402617997.db2.gz KJMOTURBSZNROF-QGZVFWFLSA-N 1 3 311.514 2.151 20 0 DEADHO CCCC[N@@H+](C)CC1CCN(CCN2CCOC[C@H]2C)CC1 ZINC000249022345 402617999 /nfs/dbraw/zinc/61/79/99/402617999.db2.gz KJMOTURBSZNROF-QGZVFWFLSA-N 1 3 311.514 2.151 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171776662 402621386 /nfs/dbraw/zinc/62/13/86/402621386.db2.gz DGCXZKZFDZMDER-DLBZAZTESA-N 1 3 322.497 2.131 20 0 DEADHO O=C(C[C@H]1CC[NH2+]C1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000249559393 402634761 /nfs/dbraw/zinc/63/47/61/402634761.db2.gz LCLOPYJWDDYHHL-HUUCEWRRSA-N 1 3 321.490 2.076 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000249791970 402642025 /nfs/dbraw/zinc/64/20/25/402642025.db2.gz VHNLHWCQESCHPO-IKGGRYGDSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000249791970 402642027 /nfs/dbraw/zinc/64/20/27/402642027.db2.gz VHNLHWCQESCHPO-IKGGRYGDSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H]([NH3+])[C@H](C)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000192103248 402711232 /nfs/dbraw/zinc/71/12/32/402711232.db2.gz JLUCBXHELLHZPW-STQMWFEESA-N 1 3 309.479 2.060 20 0 DEADHO C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000261610531 402714514 /nfs/dbraw/zinc/71/45/14/402714514.db2.gz AYVLGQUXVFGBNK-KBAYOESNSA-N 1 3 315.461 2.328 20 0 DEADHO C[C@@H](C(=O)N1CCCCCC1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261958423 402720153 /nfs/dbraw/zinc/72/01/53/402720153.db2.gz OHWJGVGSWSTAAC-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO C[NH2+]CCC(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000262583038 402727643 /nfs/dbraw/zinc/72/76/43/402727643.db2.gz UUUYIXYZXFOUQA-QGZVFWFLSA-N 1 3 317.477 2.185 20 0 DEADHO C[C@H]1C[C@H](NC(=O)c2cccc(CN3CCCC3)c2)CC[NH2+]1 ZINC000262934269 402737007 /nfs/dbraw/zinc/73/70/07/402737007.db2.gz TUKWECDCHIKUKG-WMLDXEAASA-N 1 3 301.434 2.153 20 0 DEADHO CN(CCNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])Cc1ccccc1 ZINC000263017034 402741395 /nfs/dbraw/zinc/74/13/95/402741395.db2.gz QLEFCFHRJQQEAM-FUHWJXTLSA-N 1 3 303.450 2.142 20 0 DEADHO CC[C@H](CSC)[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000192784541 402749844 /nfs/dbraw/zinc/74/98/44/402749844.db2.gz HQJATSAEFURIGH-MRXNPFEDSA-N 1 3 301.544 2.476 20 0 DEADHO CC[C@H](CSC)[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000192784541 402749845 /nfs/dbraw/zinc/74/98/45/402749845.db2.gz HQJATSAEFURIGH-MRXNPFEDSA-N 1 3 301.544 2.476 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NCCC[NH+]1CCCCC1 ZINC000193203190 402768132 /nfs/dbraw/zinc/76/81/32/402768132.db2.gz OHYZDQAQCUAJDP-MRXNPFEDSA-N 1 3 310.486 2.036 20 0 DEADHO C[C@@H](C(=O)N(CC[NH3+])Cc1ccccc1)[C@@H](N)c1ccccc1 ZINC000184207378 402826627 /nfs/dbraw/zinc/82/66/27/402826627.db2.gz WXOSLGQAIPFZQW-CRAIPNDOSA-N 1 3 311.429 2.310 20 0 DEADHO CC[N@@H+]1CC[C@H](N[C@H]2COc3cc(OC)ccc3C2)[C@@H](C)C1 ZINC000271416475 402868990 /nfs/dbraw/zinc/86/89/90/402868990.db2.gz BIFCVOCGTWNKGZ-LXZKKBNFSA-N 1 3 304.434 2.319 20 0 DEADHO CC[N@H+]1CC[C@H](N[C@H]2COc3cc(OC)ccc3C2)[C@@H](C)C1 ZINC000271416475 402868991 /nfs/dbraw/zinc/86/89/91/402868991.db2.gz BIFCVOCGTWNKGZ-LXZKKBNFSA-N 1 3 304.434 2.319 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000272176845 402906006 /nfs/dbraw/zinc/90/60/06/402906006.db2.gz CTNHPUCFJIYXCV-STQMWFEESA-N 1 3 315.417 2.304 20 0 DEADHO C[C@@H](CC(N)=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000267271014 403031250 /nfs/dbraw/zinc/03/12/50/403031250.db2.gz SGPIEHKVGONICK-GJZGRUSLSA-N 1 3 303.450 2.415 20 0 DEADHO C[C@@H](CC(N)=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000267271014 403031252 /nfs/dbraw/zinc/03/12/52/403031252.db2.gz SGPIEHKVGONICK-GJZGRUSLSA-N 1 3 303.450 2.415 20 0 DEADHO Cc1cccc(NCCCN2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000274582583 403069463 /nfs/dbraw/zinc/06/94/63/403069463.db2.gz HVJGBWLJGOMZGU-UHFFFAOYSA-N 1 3 311.433 2.409 20 0 DEADHO Cc1n[nH]c(CC[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000274819019 403091079 /nfs/dbraw/zinc/09/10/79/403091079.db2.gz ZZGPCTRLMGCQMS-RHSMWYFYSA-N 1 3 313.449 2.156 20 0 DEADHO C[C@H]1C[C@@H](NCCNC(=O)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000268699952 403107780 /nfs/dbraw/zinc/10/77/80/403107780.db2.gz AWHSRFFKYPXDLA-YJBOKZPZSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H]1C[C@@H](NCCNC(=O)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000268699952 403107781 /nfs/dbraw/zinc/10/77/81/403107781.db2.gz AWHSRFFKYPXDLA-YJBOKZPZSA-N 1 3 315.461 2.155 20 0 DEADHO CCC[NH+]1CCC(NC[C@@H](CO)Cc2ccc(F)cc2)CC1 ZINC000268813760 403116585 /nfs/dbraw/zinc/11/65/85/403116585.db2.gz FNGQHWSVRIRYLJ-INIZCTEOSA-N 1 3 308.441 2.441 20 0 DEADHO COc1cc(C)c([C@@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1OC ZINC000269004460 403122518 /nfs/dbraw/zinc/12/25/18/403122518.db2.gz QDRJXYYJQDUXDP-CQSZACIVSA-N 1 3 322.449 2.120 20 0 DEADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc2c(c1)CCO2 ZINC000282236125 403135092 /nfs/dbraw/zinc/13/50/92/403135092.db2.gz IUFFFSGTOLHHIF-HNNXBMFYSA-N 1 3 317.477 2.298 20 0 DEADHO CCC[N@H+](CCO)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000271020219 403254771 /nfs/dbraw/zinc/25/47/71/403254771.db2.gz BGAXTHCNRIEHSO-UHFFFAOYSA-N 1 3 319.493 2.421 20 0 DEADHO CCC[N@@H+](CCO)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000271020219 403254773 /nfs/dbraw/zinc/25/47/73/403254773.db2.gz BGAXTHCNRIEHSO-UHFFFAOYSA-N 1 3 319.493 2.421 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000342766420 403341421 /nfs/dbraw/zinc/34/14/21/403341421.db2.gz UQZTUZHKBLUYNS-IDCNUPLLSA-N 1 3 315.461 2.326 20 0 DEADHO c1ccc2nc(CN[C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)ccc2c1 ZINC000343245528 403508643 /nfs/dbraw/zinc/50/86/43/403508643.db2.gz MHPQUWPUWLVHTK-BHIYHBOVSA-N 1 3 311.429 2.482 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)N[C@@H](C)C[NH+](C)C)N(C)C)cc1 ZINC000287278510 403565917 /nfs/dbraw/zinc/56/59/17/403565917.db2.gz VHUYHLUHHDYVKV-WMLDXEAASA-N 1 3 320.481 2.101 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]([C@H](C)CO)C2CCCC2)CC1 ZINC000347157775 403617853 /nfs/dbraw/zinc/61/78/53/403617853.db2.gz DRZWGVWFBSMDGJ-QGZVFWFLSA-N 1 3 311.514 2.028 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]([C@H](C)CO)C2CCCC2)CC1 ZINC000347157775 403617860 /nfs/dbraw/zinc/61/78/60/403617860.db2.gz DRZWGVWFBSMDGJ-QGZVFWFLSA-N 1 3 311.514 2.028 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]([C@@H](C)CO)C2CCCC2)CC1 ZINC000347157771 403617960 /nfs/dbraw/zinc/61/79/60/403617960.db2.gz DRZWGVWFBSMDGJ-KRWDZBQOSA-N 1 3 311.514 2.028 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]([C@@H](C)CO)C2CCCC2)CC1 ZINC000347157771 403617964 /nfs/dbraw/zinc/61/79/64/403617964.db2.gz DRZWGVWFBSMDGJ-KRWDZBQOSA-N 1 3 311.514 2.028 20 0 DEADHO C[C@@H](CNC(=O)N[C@@H]1CCCN(C)[C@@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000343649395 403677157 /nfs/dbraw/zinc/67/71/57/403677157.db2.gz HPGSSKMALMRAGF-QKPAOTATSA-N 1 3 310.486 2.031 20 0 DEADHO C[C@@H](CNC(=O)N[C@@H]1CCCN(C)[C@@H]1C)[N@H+]1CCCC[C@H]1C ZINC000343649395 403677159 /nfs/dbraw/zinc/67/71/59/403677159.db2.gz HPGSSKMALMRAGF-QKPAOTATSA-N 1 3 310.486 2.031 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000333252673 403707040 /nfs/dbraw/zinc/70/70/40/403707040.db2.gz HCFQGQPLSFTBKT-HYVNUMGLSA-N 1 3 316.449 2.271 20 0 DEADHO CN1CCC(CC(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000347515591 403737073 /nfs/dbraw/zinc/73/70/73/403737073.db2.gz GJLUWCOGDXPZSF-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCCN(C)[C@@H]2C)C1 ZINC000343877269 403772626 /nfs/dbraw/zinc/77/26/26/403772626.db2.gz OOKXRFRZTQIUMS-OAGGEKHMSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CCCN(C)[C@@H]2C)C1 ZINC000343877269 403772630 /nfs/dbraw/zinc/77/26/30/403772630.db2.gz OOKXRFRZTQIUMS-OAGGEKHMSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N[C@H]1CCCN(C)[C@@H]1C)C(C)C ZINC000343850075 403758204 /nfs/dbraw/zinc/75/82/04/403758204.db2.gz KEGKXEAHVVYCCF-CVEARBPZSA-N 1 3 312.502 2.277 20 0 DEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000361713913 403819100 /nfs/dbraw/zinc/81/91/00/403819100.db2.gz KNTQVBYYHIUROK-WBVHZDCISA-N 1 3 322.497 2.129 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCN2CCC[C@@H](C)C2)C[C@@H]1C ZINC000361747664 403838497 /nfs/dbraw/zinc/83/84/97/403838497.db2.gz NUTOBOZSAWQMCJ-IKGGRYGDSA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCCN2CCC[C@@H](C)C2)C[C@@H]1C ZINC000361747664 403838501 /nfs/dbraw/zinc/83/85/01/403838501.db2.gz NUTOBOZSAWQMCJ-IKGGRYGDSA-N 1 3 324.513 2.233 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000361793335 403870538 /nfs/dbraw/zinc/87/05/38/403870538.db2.gz WYUJJQZVAJAWLN-ULQDDVLXSA-N 1 3 324.513 2.375 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000361793335 403870543 /nfs/dbraw/zinc/87/05/43/403870543.db2.gz WYUJJQZVAJAWLN-ULQDDVLXSA-N 1 3 324.513 2.375 20 0 DEADHO COCC[N@H+](C)CCCC1CCN(Cc2c(C)cnn2C)CC1 ZINC000347850982 403909294 /nfs/dbraw/zinc/90/92/94/403909294.db2.gz LBPWGQFVYRWZNN-UHFFFAOYSA-N 1 3 322.497 2.299 20 0 DEADHO COCC[N@@H+](C)CCCC1CCN(Cc2c(C)cnn2C)CC1 ZINC000347850982 403909302 /nfs/dbraw/zinc/90/93/02/403909302.db2.gz LBPWGQFVYRWZNN-UHFFFAOYSA-N 1 3 322.497 2.299 20 0 DEADHO CCC[N@H+](CCCc1ccncc1)CCN1CCN(CC)CC1 ZINC000344130967 403929592 /nfs/dbraw/zinc/92/95/92/403929592.db2.gz IVYCWQXYIICSJJ-UHFFFAOYSA-N 1 3 318.509 2.364 20 0 DEADHO CCC[N@@H+](CCCc1ccncc1)CCN1CCN(CC)CC1 ZINC000344130967 403929597 /nfs/dbraw/zinc/92/95/97/403929597.db2.gz IVYCWQXYIICSJJ-UHFFFAOYSA-N 1 3 318.509 2.364 20 0 DEADHO CCN1CCN(c2ccc(NC(=O)C(C)(C)C[NH3+])c(C)c2)CC1 ZINC000336874670 403945864 /nfs/dbraw/zinc/94/58/64/403945864.db2.gz XOVYBSDEGGCEGP-UHFFFAOYSA-N 1 3 318.465 2.060 20 0 DEADHO C[C@@H](CN(C)C)NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000354724453 403970328 /nfs/dbraw/zinc/97/03/28/403970328.db2.gz GXRQEICDVZHMKJ-GTPINHCMSA-N 1 3 324.513 2.279 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](O)CC2)CC1 ZINC000354729073 403972587 /nfs/dbraw/zinc/97/25/87/403972587.db2.gz HWEUEQDEHGXSMP-SFHVURJKSA-N 1 3 317.477 2.175 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](O)CC2)CC1 ZINC000354729073 403972593 /nfs/dbraw/zinc/97/25/93/403972593.db2.gz HWEUEQDEHGXSMP-SFHVURJKSA-N 1 3 317.477 2.175 20 0 DEADHO CC(C)[NH+](CCNC(=O)N1CC[C@H](N2CCCCC2)C1)C(C)C ZINC000341453848 403975908 /nfs/dbraw/zinc/97/59/08/403975908.db2.gz BVKGMLHVZGKPBT-KRWDZBQOSA-N 1 3 324.513 2.375 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000341456262 403977883 /nfs/dbraw/zinc/97/78/83/403977883.db2.gz FSBNQUCUYUNGGU-IAGOWNOFSA-N 1 3 322.497 2.131 20 0 DEADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000363162870 404097595 /nfs/dbraw/zinc/09/75/95/404097595.db2.gz PMLRENIAFHVLKC-AEFFLSMTSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NC[C@H](c2ccccc2)N(C)C)CCC[N@@H+]1C ZINC000344293671 404036573 /nfs/dbraw/zinc/03/65/73/404036573.db2.gz PAPIGVAPWMQVLW-HYVNUMGLSA-N 1 3 318.465 2.071 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NC[C@H](c2ccccc2)N(C)C)CCC[N@H+]1C ZINC000344293671 404036582 /nfs/dbraw/zinc/03/65/82/404036582.db2.gz PAPIGVAPWMQVLW-HYVNUMGLSA-N 1 3 318.465 2.071 20 0 DEADHO CC(C)[NH+](CCN(C)C(=O)N[C@H]1CCCN(C)[C@H]1C)C(C)C ZINC000344297117 404039942 /nfs/dbraw/zinc/03/99/42/404039942.db2.gz RLXIWGYVHNOOHZ-HOTGVXAUSA-N 1 3 312.502 2.229 20 0 DEADHO CCN1CCN(CCCC[NH2+][C@@H]2CCC[C@@H]2CCOC)CC1 ZINC000337518824 404073029 /nfs/dbraw/zinc/07/30/29/404073029.db2.gz NTUMLUTYARYZLY-QZTJIDSGSA-N 1 3 311.514 2.199 20 0 DEADHO Cc1ccccc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000369766438 404222633 /nfs/dbraw/zinc/22/26/33/404222633.db2.gz LRNLPSKVAMJBQP-IEBWSBKVSA-N 1 3 301.478 2.453 20 0 DEADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000337682394 404179770 /nfs/dbraw/zinc/17/97/70/404179770.db2.gz NULWEWXMUMBMFM-IRXDYDNUSA-N 1 3 324.513 2.138 20 0 DEADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000337682394 404179775 /nfs/dbraw/zinc/17/97/75/404179775.db2.gz NULWEWXMUMBMFM-IRXDYDNUSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000355414088 404332915 /nfs/dbraw/zinc/33/29/15/404332915.db2.gz RTCJYYDSEGMDEI-IAGOWNOFSA-N 1 3 317.477 2.498 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000355414088 404332919 /nfs/dbraw/zinc/33/29/19/404332919.db2.gz RTCJYYDSEGMDEI-IAGOWNOFSA-N 1 3 317.477 2.498 20 0 DEADHO Cc1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000370148443 404350519 /nfs/dbraw/zinc/35/05/19/404350519.db2.gz KVYSJFYQZCFOBT-HKUYNNGSSA-N 1 3 301.478 2.453 20 0 DEADHO CCC(CC)[C@H](CNC(=O)N[C@@H](C)CN(C)C)[NH+]1CCCC1 ZINC000350247465 404353258 /nfs/dbraw/zinc/35/32/58/404353258.db2.gz KRQXSTVFNSHFGH-HOCLYGCPSA-N 1 3 312.502 2.136 20 0 DEADHO CC[NH+](CC)CCOCCNCc1cnc2cc(C)ccn12 ZINC000350258207 404354999 /nfs/dbraw/zinc/35/49/99/404354999.db2.gz BUYALHVJBJMNIX-UHFFFAOYSA-N 1 3 304.438 2.091 20 0 DEADHO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCC[C@H]1CCC[N@@H+]1C ZINC000342085724 404356896 /nfs/dbraw/zinc/35/68/96/404356896.db2.gz MXQJGULASBSZDR-KBAYOESNSA-N 1 3 318.461 2.481 20 0 DEADHO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCC[C@H]1CCC[N@H+]1C ZINC000342085724 404356898 /nfs/dbraw/zinc/35/68/98/404356898.db2.gz MXQJGULASBSZDR-KBAYOESNSA-N 1 3 318.461 2.481 20 0 DEADHO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]CC[C@H]1CCCN1C ZINC000342085724 404356902 /nfs/dbraw/zinc/35/69/02/404356902.db2.gz MXQJGULASBSZDR-KBAYOESNSA-N 1 3 318.461 2.481 20 0 DEADHO CC1(C)CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CCN1 ZINC000370038018 404312546 /nfs/dbraw/zinc/31/25/46/404312546.db2.gz PZIDZEHOLZAGJD-UHFFFAOYSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@H](CNC(=O)NCC[N@H+](C)C1CCCC1)N1CCC(C)CC1 ZINC000356131136 404393099 /nfs/dbraw/zinc/39/30/99/404393099.db2.gz BNYAMNKIIVEZKI-MRXNPFEDSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H](CNC(=O)NCC[N@@H+](C)C1CCCC1)N1CCC(C)CC1 ZINC000356131136 404393107 /nfs/dbraw/zinc/39/31/07/404393107.db2.gz BNYAMNKIIVEZKI-MRXNPFEDSA-N 1 3 324.513 2.280 20 0 DEADHO COc1ccc(NC(=O)CCN2CCCC[C@@H]2CC[NH3+])cc1 ZINC000352477412 404399231 /nfs/dbraw/zinc/39/92/31/404399231.db2.gz LDWAIQDYNFEPOG-OAHLLOKOSA-N 1 3 305.422 2.227 20 0 DEADHO CN1CCC(O)(C[NH2+][C@@H]2CCC(=O)Nc3ccccc32)CC1 ZINC000329633446 404403039 /nfs/dbraw/zinc/40/30/39/404403039.db2.gz XEDKNTQCFBCBRA-CQSZACIVSA-N 1 3 303.406 2.156 20 0 DEADHO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000370767697 404405816 /nfs/dbraw/zinc/40/58/16/404405816.db2.gz VPOHUQNMYIKRJQ-JKSUJKDBSA-N 1 3 303.450 2.093 20 0 DEADHO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000370767697 404405818 /nfs/dbraw/zinc/40/58/18/404405818.db2.gz VPOHUQNMYIKRJQ-JKSUJKDBSA-N 1 3 303.450 2.093 20 0 DEADHO [NH3+]CC[C@@H]1CCCCN1CCCOc1ccc2c(c1)OCO2 ZINC000352487799 404406359 /nfs/dbraw/zinc/40/63/59/404406359.db2.gz JBLLGONWJIWFDG-AWEZNQCLSA-N 1 3 306.406 2.388 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000342162522 404412095 /nfs/dbraw/zinc/41/20/95/404412095.db2.gz MLGNFBWTISCADE-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO Clc1ccc(CCCN2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000352503295 404418847 /nfs/dbraw/zinc/41/88/47/404418847.db2.gz DROUUOFPFODKCZ-QGZVFWFLSA-N 1 3 307.869 2.252 20 0 DEADHO [NH3+]CC[C@@H]1CCCCN1CCC(=O)N1CCc2ccccc21 ZINC000352511534 404425191 /nfs/dbraw/zinc/42/51/91/404425191.db2.gz SADMPKFRHSDYRM-INIZCTEOSA-N 1 3 301.434 2.169 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C[C@H](C)O1 ZINC000567453339 292314152 /nfs/dbraw/zinc/31/41/52/292314152.db2.gz MATNQAGSICPSGC-QXGSTGNESA-N 1 3 318.461 2.299 20 0 DEADHO C[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)N1CCCCCC1 ZINC000356306956 404438848 /nfs/dbraw/zinc/43/88/48/404438848.db2.gz XQHQMMDBQKHNII-FUHWJXTLSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)N1CCCCCC1 ZINC000356306956 404438852 /nfs/dbraw/zinc/43/88/52/404438852.db2.gz XQHQMMDBQKHNII-FUHWJXTLSA-N 1 3 307.482 2.195 20 0 DEADHO O=S1(=O)CCCC[C@@H]1CN[C@@H]1CCCc2c(O)cccc21 ZINC000329749059 404439251 /nfs/dbraw/zinc/43/92/51/404439251.db2.gz TZZQYLGDWHUHNU-IUODEOHRSA-N 1 3 309.431 2.327 20 0 DEADHO O=S1(=O)CCCC[C@@H]1C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000329749059 404439253 /nfs/dbraw/zinc/43/92/53/404439253.db2.gz TZZQYLGDWHUHNU-IUODEOHRSA-N 1 3 309.431 2.327 20 0 DEADHO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000371505956 404464004 /nfs/dbraw/zinc/46/40/04/404464004.db2.gz NAMKMXBSXKQCJP-LPHOPBHVSA-N 1 3 314.477 2.144 20 0 DEADHO CN(CCNC(=O)NCCC[N@H+](C)C1CCCCC1)C1CC1 ZINC000352666573 404528461 /nfs/dbraw/zinc/52/84/61/404528461.db2.gz WWPMGMIWRSSGNM-UHFFFAOYSA-N 1 3 310.486 2.034 20 0 DEADHO CN(CCNC(=O)NCCC[N@@H+](C)C1CCCCC1)C1CC1 ZINC000352666573 404528469 /nfs/dbraw/zinc/52/84/69/404528469.db2.gz WWPMGMIWRSSGNM-UHFFFAOYSA-N 1 3 310.486 2.034 20 0 DEADHO O=C(C1CCN(C2CC2)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000338767800 404532114 /nfs/dbraw/zinc/53/21/14/404532114.db2.gz TZCSMIRUQUZAIO-UHFFFAOYSA-N 1 3 319.493 2.338 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000567469030 292315980 /nfs/dbraw/zinc/31/59/80/292315980.db2.gz MJDWQKZUYXWKDK-QBYUYEEZSA-N 1 3 318.465 2.074 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C2CCN(C3CC3)CC2)C1 ZINC000338821875 404566205 /nfs/dbraw/zinc/56/62/05/404566205.db2.gz JEBJVJZBTUTVOG-INIZCTEOSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C2CCN(C3CC3)CC2)C1 ZINC000338821875 404566212 /nfs/dbraw/zinc/56/62/12/404566212.db2.gz JEBJVJZBTUTVOG-INIZCTEOSA-N 1 3 321.509 2.345 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000356530577 404575605 /nfs/dbraw/zinc/57/56/05/404575605.db2.gz QQLIFDJUMUMIRG-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000356530577 404575609 /nfs/dbraw/zinc/57/56/09/404575609.db2.gz QQLIFDJUMUMIRG-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO NC(=O)[C@H]1CCCN(CCC[NH2+]Cc2ccc3occc3c2)C1 ZINC000352761538 404600552 /nfs/dbraw/zinc/60/05/52/404600552.db2.gz YANWKXCWOYAQBV-INIZCTEOSA-N 1 3 315.417 2.110 20 0 DEADHO CC[NH+](CC)CCOC1CCN(CCc2ccncc2)CC1 ZINC000351513921 404619222 /nfs/dbraw/zinc/61/92/22/404619222.db2.gz NLIKNXYPHZCTGB-UHFFFAOYSA-N 1 3 305.466 2.447 20 0 DEADHO C[NH+](C)CCOCCNCc1cc(O)cc(C(F)(F)F)c1 ZINC000352887152 404682445 /nfs/dbraw/zinc/68/24/45/404682445.db2.gz GOOKQMSIIIULGD-UHFFFAOYSA-N 1 3 306.328 2.079 20 0 DEADHO C[C@H]1C[C@@H](CN2CCN(c3ccc(Cl)cn3)CC2)CC[NH2+]1 ZINC000414680563 404707200 /nfs/dbraw/zinc/70/72/00/404707200.db2.gz UQTCXZRPGRPEDC-KBPBESRZSA-N 1 3 308.857 2.245 20 0 DEADHO Fc1ccccc1-c1ccc(CNCCCN2CC[NH2+]CC2)o1 ZINC000414781548 404733388 /nfs/dbraw/zinc/73/33/88/404733388.db2.gz NIUVVIVXNMXAGB-UHFFFAOYSA-N 1 3 317.408 2.471 20 0 DEADHO COc1cc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc2c1OCO2 ZINC000414785646 404734463 /nfs/dbraw/zinc/73/44/63/404734463.db2.gz SWZDZELXUXULHH-CABCVRRESA-N 1 3 318.417 2.245 20 0 DEADHO Cc1csc(N2CCC([NH2+][C@H](C)[C@@H]3CCCNC3)CC2)n1 ZINC000414846306 404748042 /nfs/dbraw/zinc/74/80/42/404748042.db2.gz DXQPGTQEIMSISN-ZIAGYGMSSA-N 1 3 308.495 2.398 20 0 DEADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCC[C@@H]2CCOC2)cc1 ZINC000414875934 404754775 /nfs/dbraw/zinc/75/47/75/404754775.db2.gz CPEWCWZXXWRMNM-JLSDUUJJSA-N 1 3 304.434 2.157 20 0 DEADHO CCCC[C@@H](C[NH3+])NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000414874951 404754831 /nfs/dbraw/zinc/75/48/31/404754831.db2.gz BLBTYEZSPVJRAN-HNNXBMFYSA-N 1 3 322.453 2.266 20 0 DEADHO COC[C@H](CC(C)C)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000358281161 404758797 /nfs/dbraw/zinc/75/87/97/404758797.db2.gz AKRSCOXQMZOZDJ-KSZLIROESA-N 1 3 312.498 2.405 20 0 DEADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1=CCN(C)CC1 ZINC000358396176 404761700 /nfs/dbraw/zinc/76/17/00/404761700.db2.gz KQFAYKJWMUGGAQ-DOTOQJQBSA-N 1 3 319.493 2.408 20 0 DEADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1=CCN(C)CC1 ZINC000358396176 404761703 /nfs/dbraw/zinc/76/17/03/404761703.db2.gz KQFAYKJWMUGGAQ-DOTOQJQBSA-N 1 3 319.493 2.408 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)CN(C)C ZINC000358533312 404766070 /nfs/dbraw/zinc/76/60/70/404766070.db2.gz UXCOFSGRNGLFPQ-JYJNAYRXSA-N 1 3 312.502 2.136 20 0 DEADHO CC(C)C[C@@H]1CCCCC[N@@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414714355 404714782 /nfs/dbraw/zinc/71/47/82/404714782.db2.gz VKCCBLIYINAZAV-SJORKVTESA-N 1 3 309.498 2.474 20 0 DEADHO CC(C)C[C@@H]1CCCCC[N@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414714355 404714783 /nfs/dbraw/zinc/71/47/83/404714783.db2.gz VKCCBLIYINAZAV-SJORKVTESA-N 1 3 309.498 2.474 20 0 DEADHO C[C@H]1C[C@@H](CNC(C)(C)c2cn(-c3ccccc3)nn2)CC[NH2+]1 ZINC000414713809 404714818 /nfs/dbraw/zinc/71/48/18/404714818.db2.gz UKWSUNFNWWCXRM-GJZGRUSLSA-N 1 3 313.449 2.480 20 0 DEADHO NCC(=O)N1CCC[C@H](C[NH2+]C2(c3cccc(Cl)c3)CC2)C1 ZINC000414714311 404714888 /nfs/dbraw/zinc/71/48/88/404714888.db2.gz VBSPPEWXEAVTCJ-CYBMUJFWSA-N 1 3 321.852 2.116 20 0 DEADHO Cc1cc(C)cc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000414963411 404777356 /nfs/dbraw/zinc/77/73/56/404777356.db2.gz BAKJOOPSBQLRFT-OAHLLOKOSA-N 1 3 315.383 2.229 20 0 DEADHO COCC1(CNCc2cc(Cl)cc3c2OCC3)CC[NH2+]CC1 ZINC000414966989 404778293 /nfs/dbraw/zinc/77/82/93/404778293.db2.gz CKFVDPLSKOLVAQ-UHFFFAOYSA-N 1 3 324.852 2.381 20 0 DEADHO CN1CCC(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000366718893 404836380 /nfs/dbraw/zinc/83/63/80/404836380.db2.gz CNTCPCRZAPKIHK-QGZVFWFLSA-N 1 3 307.482 2.242 20 0 DEADHO CN1CCC(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000366718893 404836382 /nfs/dbraw/zinc/83/63/82/404836382.db2.gz CNTCPCRZAPKIHK-QGZVFWFLSA-N 1 3 307.482 2.242 20 0 DEADHO COCC1(CNCc2coc(-c3ccccc3)n2)CC[NH2+]CC1 ZINC000414977076 404780354 /nfs/dbraw/zinc/78/03/54/404780354.db2.gz QFOKYAYKVAAHDV-UHFFFAOYSA-N 1 3 315.417 2.447 20 0 DEADHO C[C@H](CN(C)C)NC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000353287244 404792611 /nfs/dbraw/zinc/79/26/11/404792611.db2.gz AYJPVNPAFCQGHT-HUUCEWRRSA-N 1 3 320.481 2.365 20 0 DEADHO C[C@@H]1CN(C2CCOCC2)CCN1CCC[NH+]1CCCCC1 ZINC000376041762 404792839 /nfs/dbraw/zinc/79/28/39/404792839.db2.gz ISTAAYJWTYOVOX-QGZVFWFLSA-N 1 3 309.498 2.048 20 0 DEADHO [NH3+]C[C@@H]1CC[C@H](NCc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC000415046883 404795442 /nfs/dbraw/zinc/79/54/42/404795442.db2.gz VMGRBASXFCZWMV-MNOVXSKESA-N 1 3 323.803 2.277 20 0 DEADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2cccc3c2NCC3)CC1 ZINC000415106549 404808751 /nfs/dbraw/zinc/80/87/51/404808751.db2.gz JRHPDXZAXNTJQE-IEBWSBKVSA-N 1 3 315.461 2.373 20 0 DEADHO C[C@@H](NC[C@@H]1C[C@H](F)CN1Cc1cccs1)[C@H]1CC[NH2+]C1 ZINC000415108666 404810232 /nfs/dbraw/zinc/81/02/32/404810232.db2.gz QJWFZFJZFLXXHZ-QPSCCSFWSA-N 1 3 311.470 2.248 20 0 DEADHO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1ccc(Cl)cc1 ZINC000415116284 404810391 /nfs/dbraw/zinc/81/03/91/404810391.db2.gz FGOAIEJRSYMADW-QWHCGFSZSA-N 1 3 309.841 2.188 20 0 DEADHO COc1ccccc1CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415118121 404811270 /nfs/dbraw/zinc/81/12/70/404811270.db2.gz DPURQYOXLYGQTK-SJLPKXTDSA-N 1 3 304.434 2.414 20 0 DEADHO COc1ccccc1CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415125102 404812835 /nfs/dbraw/zinc/81/28/35/404812835.db2.gz NVMYCQQWDPVIFU-WMZOPIPTSA-N 1 3 304.434 2.414 20 0 DEADHO COc1ccsc1CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415125077 404813250 /nfs/dbraw/zinc/81/32/50/404813250.db2.gz NQJFPDJVCMWZFV-UKRRQHHQSA-N 1 3 310.463 2.475 20 0 DEADHO Cc1ncccc1CNCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000415140330 404817667 /nfs/dbraw/zinc/81/76/67/404817667.db2.gz YSWSLMXTCNHUSB-UHFFFAOYSA-N 1 3 324.472 2.473 20 0 DEADHO CN1CC[C@H]([NH2+]Cc2cccc(N3CCC3=O)c2)[C@H]2CCC[C@H]21 ZINC000353589480 404874226 /nfs/dbraw/zinc/87/42/26/404874226.db2.gz GTETXARGLHENJG-FGTMMUONSA-N 1 3 313.445 2.386 20 0 DEADHO CC(C)N1CCN(c2cccc(NC(=O)CC[C@H](C)[NH3+])c2)CC1 ZINC000423834783 404881328 /nfs/dbraw/zinc/88/13/28/404881328.db2.gz CVUHGKQZRXGTES-HNNXBMFYSA-N 1 3 318.465 2.283 20 0 DEADHO CSC1(CN[C@@H](c2nccn2C)C2CC2)CC[NH+](C)CC1 ZINC000353634286 404893881 /nfs/dbraw/zinc/89/38/81/404893881.db2.gz ZUKQBIZSNUBVST-CQSZACIVSA-N 1 3 308.495 2.288 20 0 DEADHO COC[C@@]1(C)CCN(CC(C)C[N@@H+]2CC[C@](C)(COC)C2)C1 ZINC000451203914 404900648 /nfs/dbraw/zinc/90/06/48/404900648.db2.gz RWIBNIXICZWVOA-ROUUACIJSA-N 1 3 312.498 2.339 20 0 DEADHO COC[C@@]1(C)CCN(CC(C)C[N@H+]2CC[C@](C)(COC)C2)C1 ZINC000451203914 404900651 /nfs/dbraw/zinc/90/06/51/404900651.db2.gz RWIBNIXICZWVOA-ROUUACIJSA-N 1 3 312.498 2.339 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000366897699 404866172 /nfs/dbraw/zinc/86/61/72/404866172.db2.gz RXHGGPNWZKZRJD-IBGZPJMESA-N 1 3 317.477 2.355 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000366897699 404866173 /nfs/dbraw/zinc/86/61/73/404866173.db2.gz RXHGGPNWZKZRJD-IBGZPJMESA-N 1 3 317.477 2.355 20 0 DEADHO C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1ccccc1CN1CCCCC1 ZINC000416899000 404956356 /nfs/dbraw/zinc/95/63/56/404956356.db2.gz DISWCQRALNEFKE-CABCVRRESA-N 1 3 318.465 2.207 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C12CCCN1CCC2 ZINC000353760576 404961710 /nfs/dbraw/zinc/96/17/10/404961710.db2.gz JEUYOCUCZLABSI-MRXNPFEDSA-N 1 3 307.482 2.386 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C12CCCN1CCC2 ZINC000353760576 404961714 /nfs/dbraw/zinc/96/17/14/404961714.db2.gz JEUYOCUCZLABSI-MRXNPFEDSA-N 1 3 307.482 2.386 20 0 DEADHO C[C@H]1[NH2+]CCN(C(=O)c2ccc(Nc3ccncc3)cc2)[C@H]1C ZINC000434700318 404925786 /nfs/dbraw/zinc/92/57/86/404925786.db2.gz SWEIRWMLVLSBTA-KGLIPLIRSA-N 1 3 310.401 2.070 20 0 DEADHO CC(C)(N)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423916654 404928361 /nfs/dbraw/zinc/92/83/61/404928361.db2.gz ZETKVZRXSMHXLH-SJORKVTESA-N 1 3 315.461 2.237 20 0 DEADHO CC(C)(N)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423916654 404928367 /nfs/dbraw/zinc/92/83/67/404928367.db2.gz ZETKVZRXSMHXLH-SJORKVTESA-N 1 3 315.461 2.237 20 0 DEADHO CCCN(C(=O)NCc1ccc(CN(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC000416881315 404948368 /nfs/dbraw/zinc/94/83/68/404948368.db2.gz GWYXNRGNSWWDRJ-QGZVFWFLSA-N 1 3 318.465 2.032 20 0 DEADHO CC(C)[C@H]([NH3+])CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000417013058 405002101 /nfs/dbraw/zinc/00/21/01/405002101.db2.gz BPDZKEPIHKCMDN-SJORKVTESA-N 1 3 318.465 2.106 20 0 DEADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415998857 405002323 /nfs/dbraw/zinc/00/23/23/405002323.db2.gz UAVRNGGFRLMGII-CYBMUJFWSA-N 1 3 302.422 2.095 20 0 DEADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415998857 405002327 /nfs/dbraw/zinc/00/23/27/405002327.db2.gz UAVRNGGFRLMGII-CYBMUJFWSA-N 1 3 302.422 2.095 20 0 DEADHO [NH3+][C@@H](CCC(=O)N1CCN2CCC[C@H]2C1)CC1CCCCC1 ZINC000424142911 405020254 /nfs/dbraw/zinc/02/02/54/405020254.db2.gz IYOIOVKSHYUGBU-IRXDYDNUSA-N 1 3 307.482 2.371 20 0 DEADHO CN(C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000417063172 405023570 /nfs/dbraw/zinc/02/35/70/405023570.db2.gz HUYHYSLWLCEPHU-WBVHZDCISA-N 1 3 318.465 2.065 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000379665416 405028174 /nfs/dbraw/zinc/02/81/74/405028174.db2.gz SNKAOWOFQOPITG-MSOLQXFVSA-N 1 3 317.477 2.388 20 0 DEADHO CN(C)[C@H](CC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000416135334 405031742 /nfs/dbraw/zinc/03/17/42/405031742.db2.gz OQMGLVHMKLFYCI-FGTMMUONSA-N 1 3 315.461 2.422 20 0 DEADHO CN(C)[C@H](CC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000416135334 405031746 /nfs/dbraw/zinc/03/17/46/405031746.db2.gz OQMGLVHMKLFYCI-FGTMMUONSA-N 1 3 315.461 2.422 20 0 DEADHO CNCc1cccc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000415947205 404979993 /nfs/dbraw/zinc/97/99/93/404979993.db2.gz VYFSTOAFTQYZTG-INIZCTEOSA-N 1 3 316.449 2.356 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)NC[C@H](C)C[NH3+])c1ccsc1 ZINC000417003913 404994838 /nfs/dbraw/zinc/99/48/38/404994838.db2.gz HLVHOZPACDMSFD-OCCSQVGLSA-N 1 3 312.483 2.025 20 0 DEADHO Cc1cc(C)cc(OC[C@H](O)CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000388912044 405036430 /nfs/dbraw/zinc/03/64/30/405036430.db2.gz UNCULWDNJMRTQK-GVDBMIGSSA-N 1 3 306.450 2.115 20 0 DEADHO CC(C)[C@@H](CNC(=O)N1C[C@@H](C)NC[C@H]1C)[NH+]1CCC(C)CC1 ZINC000417007509 404997842 /nfs/dbraw/zinc/99/78/42/404997842.db2.gz KZWIVPVRPHMHDQ-BRWVUGGUSA-N 1 3 324.513 2.135 20 0 DEADHO Cc1cc(C)cc(OC[C@H](O)CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000388912044 405036435 /nfs/dbraw/zinc/03/64/35/405036435.db2.gz UNCULWDNJMRTQK-GVDBMIGSSA-N 1 3 306.450 2.115 20 0 DEADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]([NH3+])C1CC1)c1ccsc1 ZINC000417008312 404999360 /nfs/dbraw/zinc/99/93/60/404999360.db2.gz MDKBVRBWAJDKDV-HUUCEWRRSA-N 1 3 324.494 2.168 20 0 DEADHO CC[N@H+](Cc1ccc(C(=O)NCC2(N(C)C)CC2)cc1)C1CC1 ZINC000416303752 405095718 /nfs/dbraw/zinc/09/57/18/405095718.db2.gz SIQHHOMBFOTKBL-UHFFFAOYSA-N 1 3 315.461 2.495 20 0 DEADHO CC[N@@H+](Cc1ccc(C(=O)NCC2(N(C)C)CC2)cc1)C1CC1 ZINC000416303752 405095721 /nfs/dbraw/zinc/09/57/21/405095721.db2.gz SIQHHOMBFOTKBL-UHFFFAOYSA-N 1 3 315.461 2.495 20 0 DEADHO CCC[C@@](C)([NH3+])C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424217658 405040714 /nfs/dbraw/zinc/04/07/14/405040714.db2.gz NCECIJZSTPBXBU-YQVWRLOYSA-N 1 3 315.461 2.237 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000389898637 405040815 /nfs/dbraw/zinc/04/08/15/405040815.db2.gz BOGVEIXNPFDRLA-SUMDDJOVSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C1([NH3+])CCCCC1 ZINC000389985066 405042759 /nfs/dbraw/zinc/04/27/59/405042759.db2.gz LQNFKRDNIIQQJU-DOTOQJQBSA-N 1 3 315.461 2.285 20 0 DEADHO Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@H](C)CN2CCCC2)c1 ZINC000389969376 405043636 /nfs/dbraw/zinc/04/36/36/405043636.db2.gz RHFYUQHWGDBCKI-ZWKOTPCHSA-N 1 3 320.477 2.365 20 0 DEADHO C[C@@H](C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)N1CCCCCC1 ZINC000424230008 405044384 /nfs/dbraw/zinc/04/43/84/405044384.db2.gz DTXZTXPGTZUFTP-CVEARBPZSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1cc(C[NH3+])cc(NC(=O)[C@H]2CCCN2C2CCOCC2)c1 ZINC000424252816 405048475 /nfs/dbraw/zinc/04/84/75/405048475.db2.gz ZLVHIVNIHUMCLC-QGZVFWFLSA-N 1 3 317.433 2.036 20 0 DEADHO C[C@H]1CC2(CN1Cc1cccc3c1OCCO3)CC[NH2+]CC2 ZINC000424292106 405059359 /nfs/dbraw/zinc/05/93/59/405059359.db2.gz OBNRDDMKSZKXGH-AWEZNQCLSA-N 1 3 302.418 2.422 20 0 DEADHO C[C@@H]1CC2(CN1CC(=O)NC1CCCCCC1)CC[NH2+]CC2 ZINC000424297463 405061081 /nfs/dbraw/zinc/06/10/81/405061081.db2.gz STBZUNIMDUDSNC-OAHLLOKOSA-N 1 3 307.482 2.289 20 0 DEADHO [NH3+]C[C@H](CN1CCC[C@H](c2ncc[nH]2)C1)c1ccc(F)cc1 ZINC000424302693 405062249 /nfs/dbraw/zinc/06/22/49/405062249.db2.gz MKWCQMDRIIHMOW-LSDHHAIUSA-N 1 3 302.397 2.471 20 0 DEADHO NC[C@H](C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1)c1ccc(F)cc1 ZINC000424302693 405062253 /nfs/dbraw/zinc/06/22/53/405062253.db2.gz MKWCQMDRIIHMOW-LSDHHAIUSA-N 1 3 302.397 2.471 20 0 DEADHO NC[C@H](C[N@H+]1CCC[C@H](c2ncc[nH]2)C1)c1ccc(F)cc1 ZINC000424302693 405062255 /nfs/dbraw/zinc/06/22/55/405062255.db2.gz MKWCQMDRIIHMOW-LSDHHAIUSA-N 1 3 302.397 2.471 20 0 DEADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C[C@H]3CCN(C)C(=O)C3)CC2)C1 ZINC000424331063 405070332 /nfs/dbraw/zinc/07/03/32/405070332.db2.gz SPWCNEYZWZINDR-SOLBZPMBSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@H](C(=O)NCCN1CCC[C@H](C)C1)[NH+]1CCCCC1 ZINC000354165095 405077698 /nfs/dbraw/zinc/07/76/98/405077698.db2.gz DOSAHKHFQMMKAG-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H]1CC2(CN1Cc1cnn(CC(F)(F)F)c1)CC[NH2+]CC2 ZINC000424387467 405080550 /nfs/dbraw/zinc/08/05/50/405080550.db2.gz YFZULBFAYFAWNM-LBPRGKRZSA-N 1 3 316.371 2.409 20 0 DEADHO C[NH2+]CCC1CCN(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000417321111 405085966 /nfs/dbraw/zinc/08/59/66/405085966.db2.gz BHJJJSGHEMCIMA-CVEARBPZSA-N 1 3 324.513 2.138 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424419206 405089188 /nfs/dbraw/zinc/08/91/88/405089188.db2.gz QXNDURYQTYGRJL-GDBMZVCRSA-N 1 3 304.438 2.182 20 0 DEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000361560642 405130176 /nfs/dbraw/zinc/13/01/76/405130176.db2.gz AMTNJWBVTDGRLU-PMPSAXMXSA-N 1 3 310.486 2.033 20 0 DEADHO CN(C[C@@H]1CCCN(C)C1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361502008 405103394 /nfs/dbraw/zinc/10/33/94/405103394.db2.gz UZHMUTYCVMTBIR-SJORKVTESA-N 1 3 321.509 2.441 20 0 DEADHO CN(C[C@@H]1CCCN(C)C1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361502008 405103397 /nfs/dbraw/zinc/10/33/97/405103397.db2.gz UZHMUTYCVMTBIR-SJORKVTESA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCN1C ZINC000361510816 405108085 /nfs/dbraw/zinc/10/80/85/405108085.db2.gz LPUWBOOQYKRMSH-PMPSAXMXSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCN1C ZINC000361510816 405108089 /nfs/dbraw/zinc/10/80/89/405108089.db2.gz LPUWBOOQYKRMSH-PMPSAXMXSA-N 1 3 307.482 2.240 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCCC[C@H]1C[NH3+])c1ccco1 ZINC000418165456 405114794 /nfs/dbraw/zinc/11/47/94/405114794.db2.gz JNQPJQFDKZMSRH-KKUMJFAQSA-N 1 3 322.453 2.232 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCCC[C@@H]2C[NH3+])cc1 ZINC000418357704 405123381 /nfs/dbraw/zinc/12/33/81/405123381.db2.gz RESXHUPJRPVBHQ-IAGOWNOFSA-N 1 3 318.465 2.333 20 0 DEADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000418611950 405138593 /nfs/dbraw/zinc/13/85/93/405138593.db2.gz IHHGFXCUBLZYPI-HZPDHXFCSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@H](CCCC[NH3+])NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000418686087 405166040 /nfs/dbraw/zinc/16/60/40/405166040.db2.gz BUARMWZYIYKYRH-MRXNPFEDSA-N 1 3 324.513 2.411 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000418719837 405180070 /nfs/dbraw/zinc/18/00/70/405180070.db2.gz INLAWKUCBNCOCM-INIZCTEOSA-N 1 3 306.454 2.017 20 0 DEADHO CN(C)CCN(C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)C1CCCC1 ZINC000418729452 405183895 /nfs/dbraw/zinc/18/38/95/405183895.db2.gz RRHFYLQIZURIRQ-CABCVRRESA-N 1 3 310.486 2.020 20 0 DEADHO C[C@H]1CN(C(=O)NCCC[C@H]2CCC[NH2+]2)CCN(C2CCC2)C1 ZINC000418757367 405194741 /nfs/dbraw/zinc/19/47/41/405194741.db2.gz ZBUAPKOVJHYFLY-HZPDHXFCSA-N 1 3 322.497 2.034 20 0 DEADHO C[N@H+](CCCCN[C@H](Cc1ccc(Cl)cc1)C(N)=O)C1CC1 ZINC000419305044 405236917 /nfs/dbraw/zinc/23/69/17/405236917.db2.gz VXJJYGAEGGBAHM-MRXNPFEDSA-N 1 3 323.868 2.200 20 0 DEADHO C[N@@H+](CCCCN[C@H](Cc1ccc(Cl)cc1)C(N)=O)C1CC1 ZINC000419305044 405236918 /nfs/dbraw/zinc/23/69/18/405236918.db2.gz VXJJYGAEGGBAHM-MRXNPFEDSA-N 1 3 323.868 2.200 20 0 DEADHO Clc1cccc(CN2CCN(CC[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000420311989 405315724 /nfs/dbraw/zinc/31/57/24/405315724.db2.gz WPMWBXLICCMBMF-HNNXBMFYSA-N 1 3 307.869 2.457 20 0 DEADHO C[C@@H]1CCCC[C@H]1OCCN1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420324247 405319481 /nfs/dbraw/zinc/31/94/81/405319481.db2.gz HFHFUFXTQGMGKN-IXDOHACOSA-N 1 3 310.482 2.269 20 0 DEADHO Cc1ccc(NC(=O)[C@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1F ZINC000420325361 405320316 /nfs/dbraw/zinc/32/03/16/405320316.db2.gz BPQQWFKXMGTLOH-SOUVJXGZSA-N 1 3 319.424 2.393 20 0 DEADHO CN(C)C(=O)c1cccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000420335190 405323671 /nfs/dbraw/zinc/32/36/71/405323671.db2.gz KHQPHGFKZFGTGU-SFHVURJKSA-N 1 3 315.461 2.352 20 0 DEADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NCC1CCCCC1 ZINC000420341415 405325928 /nfs/dbraw/zinc/32/59/28/405325928.db2.gz OFOGOVVNGFRJCR-IRXDYDNUSA-N 1 3 307.482 2.004 20 0 DEADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)NCCC1CCCCC1 ZINC000420345039 405327227 /nfs/dbraw/zinc/32/72/27/405327227.db2.gz UXJRKJWFKDXLPA-CALCHBBNSA-N 1 3 307.482 2.004 20 0 DEADHO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420344029 405327361 /nfs/dbraw/zinc/32/73/61/405327361.db2.gz RSAUEBWSBCCJJC-ILOCAZANSA-N 1 3 321.509 2.391 20 0 DEADHO CSc1ccccc1C[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000420372334 405336387 /nfs/dbraw/zinc/33/63/87/405336387.db2.gz FDSMCYZAEUGHGE-HNNXBMFYSA-N 1 3 317.462 2.296 20 0 DEADHO CSc1ccccc1C[N@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000420372334 405336390 /nfs/dbraw/zinc/33/63/90/405336390.db2.gz FDSMCYZAEUGHGE-HNNXBMFYSA-N 1 3 317.462 2.296 20 0 DEADHO Cc1ccc(S(=O)(=O)CCC[NH2+][C@H]2CCNCC2(C)C)cc1 ZINC000420372515 405336414 /nfs/dbraw/zinc/33/64/14/405336414.db2.gz YAHCEHOJCPJLRT-INIZCTEOSA-N 1 3 324.490 2.137 20 0 DEADHO COc1ccc(CCN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000420374666 405336977 /nfs/dbraw/zinc/33/69/77/405336977.db2.gz HVUPGUGIBCEXCG-RBUKOAKNSA-N 1 3 318.461 2.456 20 0 DEADHO C[C@@H](CNC(=O)C1CC[NH+](C2CC2)CC1)N1CCC(C)CC1 ZINC000426138194 405340380 /nfs/dbraw/zinc/34/03/80/405340380.db2.gz HOTUEBVDOZKEGR-HNNXBMFYSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1CCN(CCCOc2ccc3c(c2)OCO3)C[C@H]1C[NH3+] ZINC000420408818 405346079 /nfs/dbraw/zinc/34/60/79/405346079.db2.gz PYZHQXIGVAFJOL-UONOGXRCSA-N 1 3 306.406 2.101 20 0 DEADHO C[C@H](CNC(=O)NC1CCC([NH+](C)C)CC1)N1CCC[C@H](C)C1 ZINC000420782747 405383224 /nfs/dbraw/zinc/38/32/24/405383224.db2.gz DTCDESMVLJWEFI-NJINODPHSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C[C@H](N)c1ccccc1 ZINC000448225301 405421017 /nfs/dbraw/zinc/42/10/17/405421017.db2.gz MLCRPRWVXCOVJF-INMHGKMJSA-N 1 3 303.450 2.456 20 0 DEADHO CC[NH+]1CCC(N2CCCN(Cc3cccnc3)CC2)CC1 ZINC000420984093 405421209 /nfs/dbraw/zinc/42/12/09/405421209.db2.gz SFAQKOHCPNRYIM-UHFFFAOYSA-N 1 3 302.466 2.074 20 0 DEADHO CN1CCC[C@H]1C[N@H+](C)Cc1ccc(CN2CCOCC2)cc1 ZINC000420994675 405422867 /nfs/dbraw/zinc/42/28/67/405422867.db2.gz GXJWJQOVKKFOMY-IBGZPJMESA-N 1 3 317.477 2.045 20 0 DEADHO CN1CCC[C@H]1C[N@@H+](C)Cc1ccc(CN2CCOCC2)cc1 ZINC000420994675 405422868 /nfs/dbraw/zinc/42/28/68/405422868.db2.gz GXJWJQOVKKFOMY-IBGZPJMESA-N 1 3 317.477 2.045 20 0 DEADHO COc1ccc(NC(=O)CCN2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000430594138 405463529 /nfs/dbraw/zinc/46/35/29/405463529.db2.gz JVTDZGJNFWECOO-ZIAGYGMSSA-N 1 3 305.422 2.083 20 0 DEADHO Cc1cc(N2CCC(N[C@@H](C)C[C@@H]3CCC[NH2+]3)CC2)nc(C)n1 ZINC000577601257 405477106 /nfs/dbraw/zinc/47/71/06/405477106.db2.gz NTHHRCDROXAFJQ-GUYCJALGSA-N 1 3 317.481 2.182 20 0 DEADHO C[C@@H](C(=O)N1CCc2ccccc21)N1CCC2(CC[NH2+]C2)CC1 ZINC000431037273 405564560 /nfs/dbraw/zinc/56/45/60/405564560.db2.gz JEUUQEBITUBKEX-HNNXBMFYSA-N 1 3 313.445 2.040 20 0 DEADHO C[NH2+]CC1CCN([C@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000430925987 405529386 /nfs/dbraw/zinc/52/93/86/405529386.db2.gz MSNMBHJSZKLUIG-HUUCEWRRSA-N 1 3 303.450 2.184 20 0 DEADHO C[NH2+]CC1CCN([C@@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000430925985 405529579 /nfs/dbraw/zinc/52/95/79/405529579.db2.gz MSNMBHJSZKLUIG-CABCVRRESA-N 1 3 303.450 2.184 20 0 DEADHO [NH3+]C[C@H]1CCN(CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000430929298 405533646 /nfs/dbraw/zinc/53/36/46/405533646.db2.gz ORUAFVVRKNPZIA-LLVKDONJSA-N 1 3 315.339 2.315 20 0 DEADHO Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCC([C@H](C)[NH3+])CC1 ZINC000430928847 405533702 /nfs/dbraw/zinc/53/37/02/405533702.db2.gz VAPBRYZQXFSRMX-JKSUJKDBSA-N 1 3 317.477 2.401 20 0 DEADHO Cc1ccc(CNC(=O)[C@@H](C)N2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431033990 405565455 /nfs/dbraw/zinc/56/54/55/405565455.db2.gz LOVFGVNQXHRMGT-MRXNPFEDSA-N 1 3 315.461 2.075 20 0 DEADHO CN(C)CC[NH+]1CCC(CNCc2nc3ccccc3o2)CC1 ZINC000638564685 405548464 /nfs/dbraw/zinc/54/84/64/405548464.db2.gz MSXVZIUYTDMBEA-UHFFFAOYSA-N 1 3 316.449 2.191 20 0 DEADHO C[C@H]([NH3+])c1ccc(C(=O)Nc2ccc3c(c2)OCCNC3)cc1 ZINC000638670516 405609085 /nfs/dbraw/zinc/60/90/85/405609085.db2.gz HMJLNJDIDIPUFB-LBPRGKRZSA-N 1 3 311.385 2.441 20 0 DEADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000638672240 405609322 /nfs/dbraw/zinc/60/93/22/405609322.db2.gz UAGVJXCHOXGJHC-PBHICJAKSA-N 1 3 303.406 2.015 20 0 DEADHO C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1Cc1ccccc1 ZINC000635934483 405616949 /nfs/dbraw/zinc/61/69/49/405616949.db2.gz CKHSSQAFSYWQQA-NVXWUHKLSA-N 1 3 315.461 2.107 20 0 DEADHO CC[NH+]1CCC(CCNCc2cc3c(cn2)OCCO3)CC1 ZINC000638692178 405620837 /nfs/dbraw/zinc/62/08/37/405620837.db2.gz DJFZWZNZFJVIQK-UHFFFAOYSA-N 1 3 305.422 2.064 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H]3C(C)C)CC2)CC1 ZINC000580092359 405586303 /nfs/dbraw/zinc/58/63/03/405586303.db2.gz DXTVYEWZILGLOI-SFHVURJKSA-N 1 3 321.509 2.440 20 0 DEADHO O=C(NC1CCCCC1)N1CCC([NH2+][C@H]2CCCNCC2)CC1 ZINC000580708705 405670972 /nfs/dbraw/zinc/67/09/72/405670972.db2.gz NHQDAXMIPUZWTE-INIZCTEOSA-N 1 3 322.497 2.225 20 0 DEADHO CC/C=C/CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000458976513 405674224 /nfs/dbraw/zinc/67/42/24/405674224.db2.gz OSPBHECARZJAGM-KXPUMZMLSA-N 1 3 310.486 2.010 20 0 DEADHO CC/C=C/CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000458976513 405674228 /nfs/dbraw/zinc/67/42/28/405674228.db2.gz OSPBHECARZJAGM-KXPUMZMLSA-N 1 3 310.486 2.010 20 0 DEADHO CCN(CC)C(=O)c1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422802725 405684528 /nfs/dbraw/zinc/68/45/28/405684528.db2.gz BVFGBDPMDBTDAQ-SJORKVTESA-N 1 3 303.450 2.386 20 0 DEADHO [NH3+]Cc1ccc2c(c1)N(C(=O)C[C@@H]1NCc3ccccc31)CCO2 ZINC000638808686 405681071 /nfs/dbraw/zinc/68/10/71/405681071.db2.gz ZVAHXEQDXIUXLL-INIZCTEOSA-N 1 3 323.396 2.105 20 0 DEADHO c1c(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)nc2n1CCCC2 ZINC000422830078 405683549 /nfs/dbraw/zinc/68/35/49/405683549.db2.gz HYPNYEORXNNCFL-BRWVUGGUSA-N 1 3 302.466 2.272 20 0 DEADHO CC[C@H]([NH3+])C(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000638832015 405701012 /nfs/dbraw/zinc/70/10/12/405701012.db2.gz ONYBSTOQKYPENR-QWHCGFSZSA-N 1 3 317.355 2.162 20 0 DEADHO CC(C)N1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000457090878 405692183 /nfs/dbraw/zinc/69/21/83/405692183.db2.gz MFTKWSZKVRCDKD-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H](C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)[C@@H](N)c1ccccc1 ZINC000449689841 405693852 /nfs/dbraw/zinc/69/38/52/405693852.db2.gz LWBDHQAXYYTRCK-XOYOTBSWSA-N 1 3 315.461 2.171 20 0 DEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000423063186 405698005 /nfs/dbraw/zinc/69/80/05/405698005.db2.gz VWWVLJXJHTWPLF-YIYPIFLZSA-N 1 3 308.388 2.448 20 0 DEADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1CCCCN1 ZINC000638837099 405703917 /nfs/dbraw/zinc/70/39/17/405703917.db2.gz XWUYLVAFURQORO-SZMVWBNQSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1CCCCN1 ZINC000638837099 405703925 /nfs/dbraw/zinc/70/39/25/405703925.db2.gz XWUYLVAFURQORO-SZMVWBNQSA-N 1 3 315.461 2.013 20 0 DEADHO COc1ccc(Cl)cc1[C@@H](C)NCCCN1CC[NH2+]CC1 ZINC000423183878 405713590 /nfs/dbraw/zinc/71/35/90/405713590.db2.gz SCZJVLRMCGUKHL-CYBMUJFWSA-N 1 3 311.857 2.295 20 0 DEADHO CC(C)(CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)S(C)(=O)=O ZINC000423188840 405714792 /nfs/dbraw/zinc/71/47/92/405714792.db2.gz QPLCRYKOMBCBRS-RBSFLKMASA-N 1 3 316.511 2.100 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](N)c2ccccc2)[C@@H](C)C1 ZINC000423246778 405734365 /nfs/dbraw/zinc/73/43/65/405734365.db2.gz PZOCGICESJMERY-WDSOQIARSA-N 1 3 319.493 2.413 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](N)c2ccccc2)[C@@H](C)C1 ZINC000423246778 405734371 /nfs/dbraw/zinc/73/43/71/405734371.db2.gz PZOCGICESJMERY-WDSOQIARSA-N 1 3 319.493 2.413 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000494669317 405742017 /nfs/dbraw/zinc/74/20/17/405742017.db2.gz UIHSHEYEELWTOP-NJAFHUGGSA-N 1 3 315.461 2.470 20 0 DEADHO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H](N)C(C)C)cc1 ZINC000423266638 405742076 /nfs/dbraw/zinc/74/20/76/405742076.db2.gz DQIIXZUCGXVLNX-SWLSCSKDSA-N 1 3 313.467 2.082 20 0 DEADHO CC(C)N1CC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000583450088 405744820 /nfs/dbraw/zinc/74/48/20/405744820.db2.gz FITJZHGOWGHZLB-GOSISDBHSA-N 1 3 317.477 2.345 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000583558825 405760261 /nfs/dbraw/zinc/76/02/61/405760261.db2.gz MOIXWAYJNGDZIW-AAEUAGOBSA-N 1 3 316.371 2.136 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)CC2(C[NH3+])CC2)CCN1Cc1ccccc1 ZINC000423373042 405782350 /nfs/dbraw/zinc/78/23/50/405782350.db2.gz GXUZBPYHWUWDFE-RDJZCZTQSA-N 1 3 315.461 2.285 20 0 DEADHO C[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(F)c1 ZINC000423384829 405784392 /nfs/dbraw/zinc/78/43/92/405784392.db2.gz KGSHGUMZLHMTQV-RISCZKNCSA-N 1 3 319.346 2.312 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423398265 405790791 /nfs/dbraw/zinc/79/07/91/405790791.db2.gz UGVFJDOSWNSQET-BFHYXJOUSA-N 1 3 305.422 2.272 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000423398265 405790795 /nfs/dbraw/zinc/79/07/95/405790795.db2.gz UGVFJDOSWNSQET-BFHYXJOUSA-N 1 3 305.422 2.272 20 0 DEADHO CCC1([NH+](C)C)CCN(C(=O)c2cccc3c2CNC3)CC1 ZINC000638981310 405795592 /nfs/dbraw/zinc/79/55/92/405795592.db2.gz QTZDLWPUXUVSST-UHFFFAOYSA-N 1 3 301.434 2.236 20 0 DEADHO CC(C)[C@H](C(=O)N1CCN(C2CCC(C)CC2)CC1)[C@@H](C)[NH3+] ZINC000423416766 405797961 /nfs/dbraw/zinc/79/79/61/405797961.db2.gz GBSVSUQEIURLTC-MYBQVCMBSA-N 1 3 309.498 2.329 20 0 DEADHO Fc1ccc([C@@H](NCCC[C@@H]2CCC[NH2+]2)c2nnc[nH]2)cc1 ZINC000423483080 405821437 /nfs/dbraw/zinc/82/14/37/405821437.db2.gz PWTNHUGWWDMVSD-LSDHHAIUSA-N 1 3 303.385 2.155 20 0 DEADHO CC1(C)[C@H]([NH2+]C[C@H]2CNCCCO2)C[C@@H]1OCc1ccccc1 ZINC000423486197 405822984 /nfs/dbraw/zinc/82/29/84/405822984.db2.gz BQFWSJCDTLCGTJ-KURKYZTESA-N 1 3 318.461 2.338 20 0 DEADHO C[C@H](C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21)N1CCCCCC1 ZINC000639020591 405824228 /nfs/dbraw/zinc/82/42/28/405824228.db2.gz CMIJYLWEUQVMEM-HZPDHXFCSA-N 1 3 315.461 2.415 20 0 DEADHO Cc1c([C@H](C)N[C@H]2CC[C@H](C[NH3+])C2)nnn1-c1ccc(F)cc1 ZINC000423490244 405825050 /nfs/dbraw/zinc/82/50/50/405825050.db2.gz HOFNLHPNORHYBU-WHOFXGATSA-N 1 3 317.412 2.493 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)N(C)C)cc1 ZINC000423348791 405770971 /nfs/dbraw/zinc/77/09/71/405770971.db2.gz UZXKAGNKPFRFRA-PVAVHDDUSA-N 1 3 303.450 2.102 20 0 DEADHO CN1CC=C(C[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000495336574 405875798 /nfs/dbraw/zinc/87/57/98/405875798.db2.gz MHINHNZQVIBVHT-SFHVURJKSA-N 1 3 323.481 2.485 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC[C@H](CN2CCOCC2)C1 ZINC000450399327 405876369 /nfs/dbraw/zinc/87/63/69/405876369.db2.gz CPMHFVKLTIRVFY-RTBURBONSA-N 1 3 323.525 2.294 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1CN1CCC[C@H](CN2CCOCC2)C1 ZINC000450399327 405876377 /nfs/dbraw/zinc/87/63/77/405876377.db2.gz CPMHFVKLTIRVFY-RTBURBONSA-N 1 3 323.525 2.294 20 0 DEADHO C[C@@H]1C[C@@H](Nc2cccc(CN3CC[C@H](O)C3)c2)CC[N@@H+]1C ZINC000639198462 405966562 /nfs/dbraw/zinc/96/65/62/405966562.db2.gz QDRYEVLKWJZUTP-JLSDUUJJSA-N 1 3 303.450 2.148 20 0 DEADHO C[C@@H]1C[C@@H](Nc2cccc(CN3CC[C@H](O)C3)c2)CC[N@H+]1C ZINC000639198462 405966566 /nfs/dbraw/zinc/96/65/66/405966566.db2.gz QDRYEVLKWJZUTP-JLSDUUJJSA-N 1 3 303.450 2.148 20 0 DEADHO CC[NH+](CC)CC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000531307290 405939273 /nfs/dbraw/zinc/93/92/73/405939273.db2.gz TZXCDUZYAUIFQP-OAHLLOKOSA-N 1 3 311.857 2.401 20 0 DEADHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[C@H](N)c1ccccc1 ZINC000423752485 405946643 /nfs/dbraw/zinc/94/66/43/405946643.db2.gz ASQMEWOYAMZXGP-IKGGRYGDSA-N 1 3 301.434 2.162 20 0 DEADHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C[C@H](N)c1ccccc1 ZINC000423752485 405946648 /nfs/dbraw/zinc/94/66/48/405946648.db2.gz ASQMEWOYAMZXGP-IKGGRYGDSA-N 1 3 301.434 2.162 20 0 DEADHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[C@@H](N)c1ccccc1 ZINC000423752477 405946728 /nfs/dbraw/zinc/94/67/28/405946728.db2.gz ASQMEWOYAMZXGP-BRWVUGGUSA-N 1 3 301.434 2.162 20 0 DEADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C[C@@H](N)c1ccccc1 ZINC000423752477 405946729 /nfs/dbraw/zinc/94/67/29/405946729.db2.gz ASQMEWOYAMZXGP-BRWVUGGUSA-N 1 3 301.434 2.162 20 0 DEADHO COCCc1ncc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)s1 ZINC000639176810 405947812 /nfs/dbraw/zinc/94/78/12/405947812.db2.gz LGFQYIUSJJMIPD-HNNXBMFYSA-N 1 3 323.506 2.496 20 0 DEADHO CN(C)C[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000423780107 405963514 /nfs/dbraw/zinc/96/35/14/405963514.db2.gz WGZNDYOEVSMGTJ-CFVMTHIKSA-N 1 3 309.841 2.186 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cccc(N2CCOC2=O)c1 ZINC000497142178 406015706 /nfs/dbraw/zinc/01/57/06/406015706.db2.gz FLQIPODGBFIBRC-GOEBONIOSA-N 1 3 303.406 2.250 20 0 DEADHO COCC[C@]1(C(=O)Nc2cc(C)cc(CN(C)C)c2)CC[NH2+]C1 ZINC000423794668 405971943 /nfs/dbraw/zinc/97/19/43/405971943.db2.gz YDGFGIRUYOWQSR-GOSISDBHSA-N 1 3 319.449 2.011 20 0 DEADHO C[C@H](CC(=O)N1CCCCCC1)NCc1ccc(C[NH3+])cc1 ZINC000518534121 406145430 /nfs/dbraw/zinc/14/54/30/406145430.db2.gz AGKMWDCTFDQFIW-OAHLLOKOSA-N 1 3 303.450 2.416 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000487170750 406211676 /nfs/dbraw/zinc/21/16/76/406211676.db2.gz XQKMNXCWIVMESS-UHFFFAOYSA-N 1 3 303.450 2.210 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000519638412 406225888 /nfs/dbraw/zinc/22/58/88/406225888.db2.gz ATVYHRSKSMMAOP-CRAIPNDOSA-N 1 3 315.461 2.110 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000519638412 406225892 /nfs/dbraw/zinc/22/58/92/406225892.db2.gz ATVYHRSKSMMAOP-CRAIPNDOSA-N 1 3 315.461 2.110 20 0 DEADHO CCc1cc(N2CCC[C@@H]([NH2+][C@@H](C)[C@H]3CCCCN3)C2)ncn1 ZINC000569330804 406239174 /nfs/dbraw/zinc/23/91/74/406239174.db2.gz PQIKMOZDMFFKEC-USXIJHARSA-N 1 3 317.481 2.128 20 0 DEADHO C[C@H](C(=O)Nc1ccccc1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639760179 406239461 /nfs/dbraw/zinc/23/94/61/406239461.db2.gz SZLUSVGLPQRWCA-OAHLLOKOSA-N 1 3 301.434 2.431 20 0 DEADHO CC[C@H]1CCCCN1C(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639761959 406239979 /nfs/dbraw/zinc/23/99/79/406239979.db2.gz IMFGYSPHRKFVSB-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO Cc1nc(COc2ccc(CN[C@H](C)C[C@H](C)[NH3+])cc2)no1 ZINC000520406983 406290378 /nfs/dbraw/zinc/29/03/78/406290378.db2.gz YKDAGBSOQZWLMB-NWDGAFQWSA-N 1 3 304.394 2.172 20 0 DEADHO C[C@@H]1C[C@@H]1C[NH+]1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000488355987 406313778 /nfs/dbraw/zinc/31/37/78/406313778.db2.gz YLFORRACRLKIMZ-IEBWSBKVSA-N 1 3 301.478 2.392 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCCc2ccccc21 ZINC000569833025 406309897 /nfs/dbraw/zinc/30/98/97/406309897.db2.gz TZIPBDSSNPJPTJ-GOSISDBHSA-N 1 3 317.477 2.058 20 0 DEADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000545305983 406312646 /nfs/dbraw/zinc/31/26/46/406312646.db2.gz HGWJFAVGXFANCR-ROUUACIJSA-N 1 3 317.477 2.211 20 0 DEADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000545305983 406312647 /nfs/dbraw/zinc/31/26/47/406312647.db2.gz HGWJFAVGXFANCR-ROUUACIJSA-N 1 3 317.477 2.211 20 0 DEADHO Cc1ccc(S(=O)(=O)C[C@H](C)N[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000635008089 406396665 /nfs/dbraw/zinc/39/66/65/406396665.db2.gz ZISQHXUYRPAXEZ-JYJNAYRXSA-N 1 3 324.490 2.264 20 0 DEADHO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)c1ccc(S(C)(=O)=O)cc1 ZINC000635010958 406398779 /nfs/dbraw/zinc/39/87/79/406398779.db2.gz CCFNBNBLJJIAMD-UNEWFSDZSA-N 1 3 324.490 2.301 20 0 DEADHO CCC1([NH+]2CCCC2)CCN(C(=O)NC[C@H]2CCCN2C)CC1 ZINC000633084353 406375822 /nfs/dbraw/zinc/37/58/22/406375822.db2.gz XWRNFDSSYCJJTH-MRXNPFEDSA-N 1 3 322.497 2.131 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000525306530 406484521 /nfs/dbraw/zinc/48/45/21/406484521.db2.gz MCMLYQDTGHTWJZ-YESZJQIVSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)N1CCCC[C@H]1C ZINC000635288942 406486543 /nfs/dbraw/zinc/48/65/43/406486543.db2.gz OQDXFDHTJQLSMQ-CVEARBPZSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)N1CCCC[C@@H]1C ZINC000635288964 406487204 /nfs/dbraw/zinc/48/72/04/406487204.db2.gz OQDXFDHTJQLSMQ-JKSUJKDBSA-N 1 3 307.482 2.242 20 0 DEADHO CCN(CCNC(=O)N1CCC(C[N@H+](C)C(C)C)CC1)C1CC1 ZINC000523918606 406437785 /nfs/dbraw/zinc/43/77/85/406437785.db2.gz NPEGIXYAHJPKFB-UHFFFAOYSA-N 1 3 324.513 2.233 20 0 DEADHO CCN(CCNC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)C1CC1 ZINC000523918606 406437789 /nfs/dbraw/zinc/43/77/89/406437789.db2.gz NPEGIXYAHJPKFB-UHFFFAOYSA-N 1 3 324.513 2.233 20 0 DEADHO COCCOc1ccc(CNCc2ccc(C[NH3+])cc2)cc1 ZINC000570965235 406462124 /nfs/dbraw/zinc/46/21/24/406462124.db2.gz GSCVGLWBCAOZTG-UHFFFAOYSA-N 1 3 300.402 2.460 20 0 DEADHO CC[NH2+][C@@H](C)C(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC ZINC000638059648 406548201 /nfs/dbraw/zinc/54/82/01/406548201.db2.gz VTRCETLZIJXDRN-YOEHRIQHSA-N 1 3 321.465 2.192 20 0 DEADHO CC(C)CC[C@@H](N)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000638061289 406550436 /nfs/dbraw/zinc/55/04/36/406550436.db2.gz AOKZJQRXJFHFJN-MRXNPFEDSA-N 1 3 307.438 2.329 20 0 DEADHO C[C@@H]1CC[N@H+](CCNC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000525800519 406502165 /nfs/dbraw/zinc/50/21/65/406502165.db2.gz YTSRSZWNVMLBJY-CQSZACIVSA-N 1 3 304.438 2.212 20 0 DEADHO C[C@@H]1CC[N@@H+](CCNC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000525800519 406502169 /nfs/dbraw/zinc/50/21/69/406502169.db2.gz YTSRSZWNVMLBJY-CQSZACIVSA-N 1 3 304.438 2.212 20 0 DEADHO [NH3+][C@H](CC(=O)Nc1cccc2c1CCNC2)Cc1ccccc1 ZINC000571895430 406581521 /nfs/dbraw/zinc/58/15/21/406581521.db2.gz GWGFVWBZZHQSDJ-INIZCTEOSA-N 1 3 309.413 2.231 20 0 DEADHO C[C@H]1CCN(C(=O)C2=CC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000638132217 406587280 /nfs/dbraw/zinc/58/72/80/406587280.db2.gz UYXVPPBDCZMNJC-YJBOKZPZSA-N 1 3 313.445 2.157 20 0 DEADHO C[C@@H](CC(=O)Nc1cccc2c1CCNC2)C1CC[NH2+]CC1 ZINC000571984479 406590869 /nfs/dbraw/zinc/59/08/69/406590869.db2.gz XXUNZWMJSPHQOM-ZDUSSCGKSA-N 1 3 301.434 2.297 20 0 DEADHO CN1CCC(N(Cc2ccccc2)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000571986464 406591148 /nfs/dbraw/zinc/59/11/48/406591148.db2.gz HCYDESWQCMUMMO-KRWDZBQOSA-N 1 3 315.461 2.061 20 0 DEADHO CN1CCC(N(Cc2ccccc2)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000571986464 406591150 /nfs/dbraw/zinc/59/11/50/406591150.db2.gz HCYDESWQCMUMMO-KRWDZBQOSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N(CCCc1ccccc1)CCN(C)C ZINC000572480449 406676858 /nfs/dbraw/zinc/67/68/58/406676858.db2.gz MPNOXVBGOJKTGP-FUHWJXTLSA-N 1 3 317.477 2.007 20 0 DEADHO CN(C(=O)C1(C[NH+](C)C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000635689640 406683049 /nfs/dbraw/zinc/68/30/49/406683049.db2.gz MGGQWJJVEXAMIC-KRWDZBQOSA-N 1 3 315.461 2.061 20 0 DEADHO CC(C)(O)C[NH+]1CCC(NCCc2c(F)cccc2F)CC1 ZINC000638386398 406740288 /nfs/dbraw/zinc/74/02/88/406740288.db2.gz LZTQDXRQUGRSBP-UHFFFAOYSA-N 1 3 312.404 2.332 20 0 DEADHO CC[C@@H]1CCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000553189980 406741646 /nfs/dbraw/zinc/74/16/46/406741646.db2.gz SVLGWOWPVWVRAE-MRXNPFEDSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCC[C@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000527801291 406756062 /nfs/dbraw/zinc/75/60/62/406756062.db2.gz SMRUYLMFUQTFPO-RDJZCZTQSA-N 1 3 322.497 2.177 20 0 DEADHO CCN1CCC[C@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000527801291 406756066 /nfs/dbraw/zinc/75/60/66/406756066.db2.gz SMRUYLMFUQTFPO-RDJZCZTQSA-N 1 3 322.497 2.177 20 0 DEADHO CN1CCC[C@H](CNC(=O)[C@H]2[NH2+]CC2(C)C)[C@H]1c1cccs1 ZINC000646071478 406767907 /nfs/dbraw/zinc/76/79/07/406767907.db2.gz PLTBRBDAMOYTKP-VHDGCEQUSA-N 1 3 321.490 2.245 20 0 DEADHO CCC1([NH+]2CCCC2)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000640891846 406723501 /nfs/dbraw/zinc/72/35/01/406723501.db2.gz ZHIYQFHADROXDD-UHFFFAOYSA-N 1 3 307.482 2.338 20 0 DEADHO Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H](C)CN1CCCCC1 ZINC000577500610 406838868 /nfs/dbraw/zinc/83/88/68/406838868.db2.gz KPUPROCYKGTBAU-FUHWJXTLSA-N 1 3 320.477 2.446 20 0 DEADHO COC(=O)COc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000554887696 406827900 /nfs/dbraw/zinc/82/79/00/406827900.db2.gz OOZALSMBUHJDRB-PBHICJAKSA-N 1 3 320.433 2.010 20 0 DEADHO COC(=O)COc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000554887696 406827903 /nfs/dbraw/zinc/82/79/03/406827903.db2.gz OOZALSMBUHJDRB-PBHICJAKSA-N 1 3 320.433 2.010 20 0 DEADHO CCc1nc(C)c(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)o1 ZINC000641817967 406901312 /nfs/dbraw/zinc/90/13/12/406901312.db2.gz ALMGGCSAMMUPEM-RRFJBIMHSA-N 1 3 307.438 2.264 20 0 DEADHO Cc1ccc(NC(=O)CC[NH2+]C2CCN(CC(C)C)CC2)nc1 ZINC000555427401 406844301 /nfs/dbraw/zinc/84/43/01/406844301.db2.gz XITZVGQPOIDNSX-UHFFFAOYSA-N 1 3 318.465 2.429 20 0 DEADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CO[C@@H](C)C2)CC1 ZINC000647172155 406964653 /nfs/dbraw/zinc/96/46/53/406964653.db2.gz KPCSSONNBKBBRG-LPHOPBHVSA-N 1 3 317.477 2.091 20 0 DEADHO C[C@H]1C[C@@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)CO1 ZINC000647182157 406966721 /nfs/dbraw/zinc/96/67/21/406966721.db2.gz KWMDXXHQIZSKHI-DOTOQJQBSA-N 1 3 304.434 2.428 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)NCCC[NH+](C)C)c1ccccc1 ZINC000643216698 406962332 /nfs/dbraw/zinc/96/23/32/406962332.db2.gz UQAREPRSKAFEIQ-KRWDZBQOSA-N 1 3 320.481 2.320 20 0 DEADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCCc3ncn(C)n3)CC2)C1 ZINC000647325730 406986275 /nfs/dbraw/zinc/98/62/75/406986275.db2.gz NXKAUWUKHSOZOO-WBVHZDCISA-N 1 3 319.497 2.380 20 0 DEADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CCCc3ncn(C)n3)CC2)C1 ZINC000647325730 406986280 /nfs/dbraw/zinc/98/62/80/406986280.db2.gz NXKAUWUKHSOZOO-WBVHZDCISA-N 1 3 319.497 2.380 20 0 DEADHO C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976777 407092355 /nfs/dbraw/zinc/09/23/55/407092355.db2.gz UFWONKBCHIMQBN-XDNAFOTISA-N 1 3 321.509 2.393 20 0 DEADHO C[C@@H]1CN(CCCCNc2[nH+]ccc3[nH]ccc32)C[C@@H](C)O1 ZINC000647871896 407065449 /nfs/dbraw/zinc/06/54/49/407065449.db2.gz RERFHSSIXKXCQZ-ZIAGYGMSSA-N 1 3 302.422 2.286 20 0 DEADHO COc1cccc(CN(C[C@H]2CC[NH2+]C2)C2CCC(O)CC2)c1 ZINC000647883983 407067599 /nfs/dbraw/zinc/06/75/99/407067599.db2.gz QXPNKIBFZXUYDV-AOCRQIFASA-N 1 3 318.461 2.410 20 0 DEADHO CC[C@@H](O)C[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000644520005 407134605 /nfs/dbraw/zinc/13/46/05/407134605.db2.gz PNLYNQZTKBUMIQ-LJQANCHMSA-N 1 3 319.493 2.258 20 0 DEADHO CCC[N@@H+]1CC[C@@H](CNCCC(=O)Nc2ccccc2F)C1 ZINC000644530155 407137295 /nfs/dbraw/zinc/13/72/95/407137295.db2.gz SLZGRDPJVUKTGY-AWEZNQCLSA-N 1 3 307.413 2.476 20 0 DEADHO CCC[N@H+]1CC[C@@H](CNCCC(=O)Nc2ccccc2F)C1 ZINC000644530155 407137297 /nfs/dbraw/zinc/13/72/97/407137297.db2.gz SLZGRDPJVUKTGY-AWEZNQCLSA-N 1 3 307.413 2.476 20 0 DEADHO CCCN1CC[C@@H](C[NH2+]CCC(=O)Nc2ccccc2F)C1 ZINC000644530155 407137298 /nfs/dbraw/zinc/13/72/98/407137298.db2.gz SLZGRDPJVUKTGY-AWEZNQCLSA-N 1 3 307.413 2.476 20 0 DEADHO O[C@@H](CNC1CC[NH+](C2CCC2)CC1)Cc1ccc(F)cc1 ZINC000644663767 407162833 /nfs/dbraw/zinc/16/28/33/407162833.db2.gz IZTKCBPKVSEKHV-GOSISDBHSA-N 1 3 306.425 2.336 20 0 DEADHO CCCN(C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[C@H]1CCN(C)C1 ZINC000645270584 407256798 /nfs/dbraw/zinc/25/67/98/407256798.db2.gz CJURWYKBEHXKMR-BBWFWOEESA-N 1 3 324.513 2.375 20 0 DEADHO CCCN(C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[C@H]1CCN(C)C1 ZINC000645270584 407256800 /nfs/dbraw/zinc/25/68/00/407256800.db2.gz CJURWYKBEHXKMR-BBWFWOEESA-N 1 3 324.513 2.375 20 0 DEADHO CCCN(C(=O)NCCC1CC[NH+](CC)CC1)[C@H]1CCN(C)C1 ZINC000645329078 407265011 /nfs/dbraw/zinc/26/50/11/407265011.db2.gz ZHORURDMAFRJBE-KRWDZBQOSA-N 1 3 324.513 2.234 20 0 DEADHO CCCN(C(=O)NC1CC[NH+](C2CCC2)CC1)[C@H]1CCN(C)C1 ZINC000645532298 407290475 /nfs/dbraw/zinc/29/04/75/407290475.db2.gz JIJCKJMUGGTKPG-KRWDZBQOSA-N 1 3 322.497 2.129 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000417694011 287011298 /nfs/dbraw/zinc/01/12/98/287011298.db2.gz CICKKIMCLDZEDI-JKSUJKDBSA-N 1 3 310.486 2.082 20 0 DEADHO CC(C)(C)c1n[nH]cc1CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000570810757 292508033 /nfs/dbraw/zinc/50/80/33/292508033.db2.gz JSBFJFOWLHRNPP-HZPDHXFCSA-N 1 3 320.481 2.426 20 0 DEADHO CC1CCC(O)(C[NH2+]C2CCN(C3CCN(C)CC3)CC2)CC1 ZINC000570920317 292514856 /nfs/dbraw/zinc/51/48/56/292514856.db2.gz GZILSJNQXIKZSY-UHFFFAOYSA-N 1 3 323.525 2.076 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1ccco1 ZINC000571082878 292525276 /nfs/dbraw/zinc/52/52/76/292525276.db2.gz WEFVSSFNJLSENO-ZOBORPQBSA-N 1 3 310.442 2.134 20 0 DEADHO C[C@@H](CN[C@H]1CCN(C(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC000130861959 196117328 /nfs/dbraw/zinc/11/73/28/196117328.db2.gz KNMCBJRETBBOLM-GJZGRUSLSA-N 1 3 311.470 2.317 20 0 DEADHO C[C@@H](C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)CN1CCCC1 ZINC000130861959 196117330 /nfs/dbraw/zinc/11/73/30/196117330.db2.gz KNMCBJRETBBOLM-GJZGRUSLSA-N 1 3 311.470 2.317 20 0 DEADHO COCC1(CNCc2nc3c(s2)C[C@H](C)CC3)CC[NH2+]CC1 ZINC000414978802 228603756 /nfs/dbraw/zinc/60/37/56/228603756.db2.gz TYPINKOGJQSETJ-CYBMUJFWSA-N 1 3 323.506 2.374 20 0 DEADHO C[C@H](C[NH3+])N(C)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000417737747 229083030 /nfs/dbraw/zinc/08/30/30/229083030.db2.gz OEGXUBLDXJAEJK-VNHYZAJKSA-N 1 3 324.494 2.120 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000417885271 229134329 /nfs/dbraw/zinc/13/43/29/229134329.db2.gz YDNYZDDRJGSXAS-RHSMWYFYSA-N 1 3 322.497 2.020 20 0 DEADHO Cc1cc(CN(C)CC2CCN(c3cc[nH+]cc3)CC2)n(C)n1 ZINC000418015191 229187929 /nfs/dbraw/zinc/18/79/29/229187929.db2.gz YPPPEZOMRLUJPR-UHFFFAOYSA-N 1 3 313.449 2.472 20 0 DEADHO C[C@H](NC(=O)N1CCC(C[NH3+])CC1)[C@H](c1ccccc1)N(C)C ZINC000418174555 229255721 /nfs/dbraw/zinc/25/57/21/229255721.db2.gz FGDWNRHLPYVJHV-WMLDXEAASA-N 1 3 318.465 2.058 20 0 DEADHO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)NCC2CCCCC2)C[C@H]1CN ZINC000422637857 230162097 /nfs/dbraw/zinc/16/20/97/230162097.db2.gz PMHVSZVRYSQQSJ-BFYDXBDKSA-N 1 3 309.498 2.378 20 0 DEADHO C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)NCC2CCCCC2)C[C@H]1CN ZINC000422637857 230162102 /nfs/dbraw/zinc/16/21/02/230162102.db2.gz PMHVSZVRYSQQSJ-BFYDXBDKSA-N 1 3 309.498 2.378 20 0 DEADHO C[C@@H]1C[C@@H](C)N(CCC(=O)NCC2CCCCC2)C[C@H]1C[NH3+] ZINC000422637857 230162104 /nfs/dbraw/zinc/16/21/04/230162104.db2.gz PMHVSZVRYSQQSJ-BFYDXBDKSA-N 1 3 309.498 2.378 20 0 DEADHO O=C(CCN[C@H]1CC[NH2+][C@H](c2ccccc2)C1)N1CCCCC1 ZINC000422698510 230167750 /nfs/dbraw/zinc/16/77/50/230167750.db2.gz ZPDONRUHWCKWTD-ROUUACIJSA-N 1 3 315.461 2.472 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000422735927 230184166 /nfs/dbraw/zinc/18/41/66/230184166.db2.gz FORREXZVPQLJHN-FQQAFBJJSA-N 1 3 317.477 2.164 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000422768830 230200188 /nfs/dbraw/zinc/20/01/88/230200188.db2.gz UZKNYZHNJJHESG-IKICRFKJSA-N 1 3 321.440 2.136 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCN(c2cccc(F)c2)C1 ZINC000422768830 230200191 /nfs/dbraw/zinc/20/01/91/230200191.db2.gz UZKNYZHNJJHESG-IKICRFKJSA-N 1 3 321.440 2.136 20 0 DEADHO CO[C@H](CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000422776927 230204278 /nfs/dbraw/zinc/20/42/78/230204278.db2.gz BGJPYUXWVZJGJD-DANNLKNASA-N 1 3 312.841 2.369 20 0 DEADHO CN(C)C(=O)c1cccc(CC[NH2+][C@H]2CCCC[C@@H]2CN)c1 ZINC000422792410 230212014 /nfs/dbraw/zinc/21/20/14/230212014.db2.gz ZCPTWXNFLLRVHN-SJORKVTESA-N 1 3 303.450 2.038 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cccc(N2CCCC2=O)c1 ZINC000422866050 230250504 /nfs/dbraw/zinc/25/05/04/230250504.db2.gz POTXIVIIMNMHBM-DOTOQJQBSA-N 1 3 301.434 2.421 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000422887833 230259913 /nfs/dbraw/zinc/25/99/13/230259913.db2.gz LNGPAYDUGNUXGA-QANKJYHBSA-N 1 3 301.434 2.442 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCCc1c[nH]c2ccccc12 ZINC000422887833 230259915 /nfs/dbraw/zinc/25/99/15/230259915.db2.gz LNGPAYDUGNUXGA-QANKJYHBSA-N 1 3 301.434 2.442 20 0 DEADHO Cc1cc(C)n(-c2ccc(CN[C@H]3CCCC[C@@H]3C[NH3+])cn2)n1 ZINC000422897412 230266574 /nfs/dbraw/zinc/26/65/74/230266574.db2.gz JOSHGKZFOLIVIZ-SJORKVTESA-N 1 3 313.449 2.491 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000422897048 230266624 /nfs/dbraw/zinc/26/66/24/230266624.db2.gz BFHDPHZTLAFHMN-GMXVVIOVSA-N 1 3 320.355 2.161 20 0 DEADHO Cc1cccc(OC[C@H](O)CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422905630 230268520 /nfs/dbraw/zinc/26/85/20/230268520.db2.gz ZKZJDULGBORWIY-XGXHKWSGSA-N 1 3 318.461 2.245 20 0 DEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCc1cccc(C(N)=O)c1 ZINC000422949326 230290270 /nfs/dbraw/zinc/29/02/70/230290270.db2.gz VAFMWSQFOLMSHN-PBHICJAKSA-N 1 3 303.450 2.228 20 0 DEADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000422955152 230292386 /nfs/dbraw/zinc/29/23/86/230292386.db2.gz ITQFQEBEDAFPIC-CRAIPNDOSA-N 1 3 315.461 2.416 20 0 DEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCN(C(=O)C1CCC1)C1CC1 ZINC000422957330 230293171 /nfs/dbraw/zinc/29/31/71/230293171.db2.gz NIHSAZPQVRCLJN-DOTOQJQBSA-N 1 3 307.482 2.275 20 0 DEADHO C[C@@H](N)C[C@H](C)[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000422958016 230294248 /nfs/dbraw/zinc/29/42/48/230294248.db2.gz WOYRRVLIPVXMKQ-KGLIPLIRSA-N 1 3 310.486 2.209 20 0 DEADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1cccc(CN2CCCC2=O)c1 ZINC000422959941 230295205 /nfs/dbraw/zinc/29/52/05/230295205.db2.gz UTCCDYCZGSJRBR-YJBOKZPZSA-N 1 3 315.461 2.287 20 0 DEADHO O=C(NCCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1cccs1 ZINC000422958723 230295241 /nfs/dbraw/zinc/29/52/41/230295241.db2.gz YWWDMHFKJKOUOW-RBSFLKMASA-N 1 3 321.490 2.378 20 0 DEADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000423051629 230329047 /nfs/dbraw/zinc/32/90/47/230329047.db2.gz NTCKVJVRFIIXIY-VUCTXSBTSA-N 1 3 319.424 2.202 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NC[C@H](C)Oc1ccc(Cl)cc1 ZINC000423072995 230336601 /nfs/dbraw/zinc/33/66/01/230336601.db2.gz IAPHPGUKNMDAAK-YXAMBPQSSA-N 1 3 312.841 2.449 20 0 DEADHO FC(F)C(F)(F)COCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423069192 230338122 /nfs/dbraw/zinc/33/81/22/230338122.db2.gz AOLFCNVYWHVYAQ-IJLUTSLNSA-N 1 3 312.351 2.414 20 0 DEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCCn1cc(Br)cn1 ZINC000423082082 230341879 /nfs/dbraw/zinc/34/18/79/230341879.db2.gz CLOSAACVGOPYQQ-AAEUAGOBSA-N 1 3 315.259 2.143 20 0 DEADHO COCCOCc1ccc(CN[C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000423138385 230362565 /nfs/dbraw/zinc/36/25/65/230362565.db2.gz JEEJOZZNXAQQIS-QAPCUYQASA-N 1 3 306.450 2.327 20 0 DEADHO C[C@@H]1CCC[N@H+](CCNC(=O)NCCN2CCCC(C)(C)C2)C1 ZINC000444846306 533685561 /nfs/dbraw/zinc/68/55/61/533685561.db2.gz IISYOCCRUNDEFK-MRXNPFEDSA-N 1 3 324.513 2.140 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCNC(=O)NCCN2CCCC(C)(C)C2)C1 ZINC000444846306 533685569 /nfs/dbraw/zinc/68/55/69/533685569.db2.gz IISYOCCRUNDEFK-MRXNPFEDSA-N 1 3 324.513 2.140 20 0 DEADHO C[C@@H](F)CC[NH2+]C1(CNC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001423287866 1173206742 /nfs/dbraw/zinc/20/67/42/1173206742.db2.gz PXOOASQQUZOAGV-CABCVRRESA-N 1 3 313.461 2.237 20 0 DEADHO Cc1ccc(C[C@H](CO)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1C ZINC000834914300 649859620 /nfs/dbraw/zinc/85/96/20/649859620.db2.gz LXIHLVQZDLZRDS-MSRNWOCLSA-N 1 3 302.462 2.422 20 0 DEADHO Cc1ccc(C[C@H](CO)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC000834914300 649859622 /nfs/dbraw/zinc/85/96/22/649859622.db2.gz LXIHLVQZDLZRDS-MSRNWOCLSA-N 1 3 302.462 2.422 20 0 DEADHO CC(C)CN(CCN(C)C)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193768709 424871371 /nfs/dbraw/zinc/87/13/71/424871371.db2.gz JHNURBOHPIBKPJ-UHFFFAOYSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H](C(=O)N[C@@H](C)C1CC[NH+](C)CC1)[C@H](N)c1ccccc1 ZINC000396487139 424921590 /nfs/dbraw/zinc/92/15/90/424921590.db2.gz KVPLKJMFLYTAAZ-KEYYUXOJSA-N 1 3 303.450 2.169 20 0 DEADHO CO[C@@H]1CC[N@H+](Cc2ccc(OCCN(C)C)cc2)C[C@H]1C ZINC000648742359 424900980 /nfs/dbraw/zinc/90/09/80/424900980.db2.gz SCZCKJIBXYWPJP-CRAIPNDOSA-N 1 3 306.450 2.484 20 0 DEADHO CO[C@@H]1CC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C[C@H]1C ZINC000648742359 424900982 /nfs/dbraw/zinc/90/09/82/424900982.db2.gz SCZCKJIBXYWPJP-CRAIPNDOSA-N 1 3 306.450 2.484 20 0 DEADHO C[C@H]1CN(Cc2cccc(CN[C@@H]3CCC[NH2+]CC3)c2)CCO1 ZINC000415087910 424949444 /nfs/dbraw/zinc/94/94/44/424949444.db2.gz VQAKQHIYRLLZIF-QFBILLFUSA-N 1 3 317.477 2.139 20 0 DEADHO CCC(CC)(C[NH3+])C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000649342708 424998603 /nfs/dbraw/zinc/99/86/03/424998603.db2.gz KGTJZOTWPASWKV-KRWDZBQOSA-N 1 3 317.477 2.484 20 0 DEADHO CN(CCN1CCCCC1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000650558635 425016879 /nfs/dbraw/zinc/01/68/79/425016879.db2.gz XEVUUXLBPAUUQG-UHFFFAOYSA-N 1 3 324.513 2.378 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)NCCN1CCCC[C@@H]1C ZINC000649491260 425027067 /nfs/dbraw/zinc/02/70/67/425027067.db2.gz GRSKTMWNIIFAPT-INIZCTEOSA-N 1 3 312.502 2.138 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)NCCN1CCCC[C@@H]1C ZINC000649491260 425027070 /nfs/dbraw/zinc/02/70/70/425027070.db2.gz GRSKTMWNIIFAPT-INIZCTEOSA-N 1 3 312.502 2.138 20 0 DEADHO Cc1nn(-c2ccncc2)cc1CN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709264 425039409 /nfs/dbraw/zinc/03/94/09/425039409.db2.gz NQXDQGIBWXNPMP-WMZOPIPTSA-N 1 3 311.433 2.137 20 0 DEADHO Cc1nc(C)c(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000650706980 425039734 /nfs/dbraw/zinc/03/97/34/425039734.db2.gz WFNWMOHPHAEMGS-SOUVJXGZSA-N 1 3 309.479 2.478 20 0 DEADHO CCOc1ccc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)nc1 ZINC000650707935 425039823 /nfs/dbraw/zinc/03/98/23/425039823.db2.gz QEFUBNHJTFOGRX-DAYGRLMNSA-N 1 3 319.449 2.199 20 0 DEADHO COc1ccc(C[C@H](C)NCc2ccc(C[NH3+])cc2F)cn1 ZINC000650756065 425049645 /nfs/dbraw/zinc/04/96/45/425049645.db2.gz TWVUKTGMISOCKQ-LBPRGKRZSA-N 1 3 303.381 2.409 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000663482520 425167948 /nfs/dbraw/zinc/16/79/48/425167948.db2.gz UUKRPCYSTVNOHN-CVEARBPZSA-N 1 3 310.486 2.034 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000663482520 425167952 /nfs/dbraw/zinc/16/79/52/425167952.db2.gz UUKRPCYSTVNOHN-CVEARBPZSA-N 1 3 310.486 2.034 20 0 DEADHO CCN(CCNC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC000660588228 425170747 /nfs/dbraw/zinc/17/07/47/425170747.db2.gz ZFQVZUVXIFODLN-OAHLLOKOSA-N 1 3 322.497 2.177 20 0 DEADHO CCN(CCNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC000660588228 425170750 /nfs/dbraw/zinc/17/07/50/425170750.db2.gz ZFQVZUVXIFODLN-OAHLLOKOSA-N 1 3 322.497 2.177 20 0 DEADHO CC(C)[C@H](N)CC[NH2+][C@H](C)CCN1C(=O)c2ccccc2C1=O ZINC000663502378 425173944 /nfs/dbraw/zinc/17/39/44/425173944.db2.gz HLNGNMJEMKIPPK-CZUORRHYSA-N 1 3 317.433 2.024 20 0 DEADHO CC(C)[C@H]([NH3+])CCN[C@H](C)CCN1C(=O)c2ccccc2C1=O ZINC000663502378 425173949 /nfs/dbraw/zinc/17/39/49/425173949.db2.gz HLNGNMJEMKIPPK-CZUORRHYSA-N 1 3 317.433 2.024 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](C3CCCCC3)C2)C1 ZINC000663503499 425174455 /nfs/dbraw/zinc/17/44/55/425174455.db2.gz NYUOCTWSRDISRX-WMZOPIPTSA-N 1 3 321.509 2.476 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H](C3CCCCC3)C2)C1 ZINC000663503499 425174459 /nfs/dbraw/zinc/17/44/59/425174459.db2.gz NYUOCTWSRDISRX-WMZOPIPTSA-N 1 3 321.509 2.476 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000666758475 425176405 /nfs/dbraw/zinc/17/64/05/425176405.db2.gz SFPHMFPGZHDXPW-ULQDDVLXSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000666758475 425176407 /nfs/dbraw/zinc/17/64/07/425176407.db2.gz SFPHMFPGZHDXPW-ULQDDVLXSA-N 1 3 324.513 2.088 20 0 DEADHO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000666758216 425176724 /nfs/dbraw/zinc/17/67/24/425176724.db2.gz LSXLENGWFPEYRL-IAGOWNOFSA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000666758216 425176727 /nfs/dbraw/zinc/17/67/27/425176727.db2.gz LSXLENGWFPEYRL-IAGOWNOFSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H](CNC(=O)NC[C@H]1CCN1C(C)(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000660641911 425186114 /nfs/dbraw/zinc/18/61/14/425186114.db2.gz LXPDUBPGPUUGCS-BZUAXINKSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@H](CNC(=O)NC[C@H]1CCN1C(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000660641911 425186118 /nfs/dbraw/zinc/18/61/18/425186118.db2.gz LXPDUBPGPUUGCS-BZUAXINKSA-N 1 3 324.513 2.279 20 0 DEADHO CC[N@H+](C)C[C@H](O)CN[C@H](CN1CCCCC1)c1ccccc1 ZINC000653612321 425191351 /nfs/dbraw/zinc/19/13/51/425191351.db2.gz KFNDIFDZUBGSMQ-RTBURBONSA-N 1 3 319.493 2.116 20 0 DEADHO CC[N@@H+](C)C[C@H](O)CN[C@H](CN1CCCCC1)c1ccccc1 ZINC000653612321 425191356 /nfs/dbraw/zinc/19/13/56/425191356.db2.gz KFNDIFDZUBGSMQ-RTBURBONSA-N 1 3 319.493 2.116 20 0 DEADHO Cc1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@]3(CCN(C)C3)C2)c1 ZINC000660653967 425192401 /nfs/dbraw/zinc/19/24/01/425192401.db2.gz DXZJHNRDMKYJSO-HKUYNNGSSA-N 1 3 318.461 2.152 20 0 DEADHO Cc1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@]3(CCN(C)C3)C2)c1 ZINC000660653967 425192407 /nfs/dbraw/zinc/19/24/07/425192407.db2.gz DXZJHNRDMKYJSO-HKUYNNGSSA-N 1 3 318.461 2.152 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCC[N@@H+]2CCCC[C@H]2CC)C1 ZINC000660660432 425196724 /nfs/dbraw/zinc/19/67/24/425196724.db2.gz VHEUFABRQONKCY-JKSUJKDBSA-N 1 3 310.486 2.034 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCC[N@H+]2CCCC[C@H]2CC)C1 ZINC000660660432 425196729 /nfs/dbraw/zinc/19/67/29/425196729.db2.gz VHEUFABRQONKCY-JKSUJKDBSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC[C@@]3(O)CCOC3)CC2)C1 ZINC000651944317 425153136 /nfs/dbraw/zinc/15/31/36/425153136.db2.gz SEIKWRPMDLLFTM-KBAYOESNSA-N 1 3 310.482 2.161 20 0 DEADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CC[C@@]3(O)CCOC3)CC2)C1 ZINC000651944317 425153137 /nfs/dbraw/zinc/15/31/37/425153137.db2.gz SEIKWRPMDLLFTM-KBAYOESNSA-N 1 3 310.482 2.161 20 0 DEADHO CCN(C(=O)NCC1([NH+](C)C)CCCCC1)[C@@H]1CCN(CC)C1 ZINC000663426011 425155465 /nfs/dbraw/zinc/15/54/65/425155465.db2.gz XTZCDZGQNPSGOJ-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)NCCC1(C[NH3+])CC1 ZINC000652240784 425222216 /nfs/dbraw/zinc/22/22/16/425222216.db2.gz LZMFFUKLDCYHCD-UHFFFAOYSA-N 1 3 324.513 2.269 20 0 DEADHO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C)[C@H]2CCN)cc1 ZINC000652354754 425248001 /nfs/dbraw/zinc/24/80/01/425248001.db2.gz HHUYXSUURZNDGE-RHSMWYFYSA-N 1 3 319.449 2.473 20 0 DEADHO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C)[C@H]2CCN)cc1 ZINC000652354754 425248006 /nfs/dbraw/zinc/24/80/06/425248006.db2.gz HHUYXSUURZNDGE-RHSMWYFYSA-N 1 3 319.449 2.473 20 0 DEADHO COc1ccc(NC(=O)CCN2CCC[C@@H](C)[C@H]2CC[NH3+])cc1 ZINC000652354754 425248009 /nfs/dbraw/zinc/24/80/09/425248009.db2.gz HHUYXSUURZNDGE-RHSMWYFYSA-N 1 3 319.449 2.473 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000660852901 425257647 /nfs/dbraw/zinc/25/76/47/425257647.db2.gz LAUBGJKTNAIHSC-CVEARBPZSA-N 1 3 324.513 2.136 20 0 DEADHO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654374259 425336009 /nfs/dbraw/zinc/33/60/09/425336009.db2.gz VOYPVFYBVKRAOI-OWCLPIDISA-N 1 3 310.486 2.033 20 0 DEADHO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)CO1 ZINC000657318201 425302763 /nfs/dbraw/zinc/30/27/63/425302763.db2.gz MVGXIVHXIZQQBI-RTBURBONSA-N 1 3 317.477 2.091 20 0 DEADHO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)CO1 ZINC000657318198 425302846 /nfs/dbraw/zinc/30/28/46/425302846.db2.gz MVGXIVHXIZQQBI-MOPGFXCFSA-N 1 3 317.477 2.091 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000661370750 425393523 /nfs/dbraw/zinc/39/35/23/425393523.db2.gz TVXJHQRPLLSZAI-BZUAXINKSA-N 1 3 322.497 2.175 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000661370750 425393525 /nfs/dbraw/zinc/39/35/25/425393525.db2.gz TVXJHQRPLLSZAI-BZUAXINKSA-N 1 3 322.497 2.175 20 0 DEADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000653105903 425405988 /nfs/dbraw/zinc/40/59/88/425405988.db2.gz NCKFEACKYGAEKP-MSOLQXFVSA-N 1 3 315.461 2.329 20 0 DEADHO C[C@@H](Cn1cncn1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000657829098 425406933 /nfs/dbraw/zinc/40/69/33/425406933.db2.gz ZADHQWMVHRCHRO-INIZCTEOSA-N 1 3 313.449 2.442 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)N(C)C)cc1 ZINC000653112074 425408055 /nfs/dbraw/zinc/40/80/55/425408055.db2.gz LBXIONWUESQKSE-KSZLIROESA-N 1 3 315.461 2.245 20 0 DEADHO CCN1CCN(CCCC[NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657835303 425408155 /nfs/dbraw/zinc/40/81/55/425408155.db2.gz MLXJRASOLPXIEX-UHFFFAOYSA-N 1 3 303.441 2.082 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[NH2+]CC2)CN1Cc1ccccc1 ZINC000653121997 425410437 /nfs/dbraw/zinc/41/04/37/425410437.db2.gz IEYOKBKCYBZBER-BPQIPLTHSA-N 1 3 315.461 2.155 20 0 DEADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)[C@H]2CCC[NH2+]CC2)C1 ZINC000653121772 425410909 /nfs/dbraw/zinc/41/09/09/425410909.db2.gz BMBMICDUENZRGH-ROUUACIJSA-N 1 3 315.461 2.109 20 0 DEADHO Cc1ccncc1CNCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657596528 425373809 /nfs/dbraw/zinc/37/38/09/425373809.db2.gz NVZRHRCYEJJAEQ-IBGZPJMESA-N 1 3 311.429 2.246 20 0 DEADHO Cc1ccncc1CNCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657596528 425373812 /nfs/dbraw/zinc/37/38/12/425373812.db2.gz NVZRHRCYEJJAEQ-IBGZPJMESA-N 1 3 311.429 2.246 20 0 DEADHO COCC(C)(C)C[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000657597527 425373879 /nfs/dbraw/zinc/37/38/79/425373879.db2.gz UHGRDCWDHYJXBY-QGZVFWFLSA-N 1 3 306.450 2.015 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654569596 425384760 /nfs/dbraw/zinc/38/47/60/425384760.db2.gz KXQHBQNHMQDDAP-GVDBMIGSSA-N 1 3 324.513 2.423 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654569596 425384764 /nfs/dbraw/zinc/38/47/64/425384764.db2.gz KXQHBQNHMQDDAP-GVDBMIGSSA-N 1 3 324.513 2.423 20 0 DEADHO CN(C)C[C@H](NC(=O)[C@H]1CCC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000653150503 425417874 /nfs/dbraw/zinc/41/78/74/425417874.db2.gz DFVIYHKOGDWWBF-HOCLYGCPSA-N 1 3 323.868 2.449 20 0 DEADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC[N@@H+]1C ZINC000654729895 425425553 /nfs/dbraw/zinc/42/55/53/425425553.db2.gz XPVGESOJKCSQNL-VQHPVUNQSA-N 1 3 322.497 2.127 20 0 DEADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC[N@H+]1C ZINC000654729895 425425556 /nfs/dbraw/zinc/42/55/56/425425556.db2.gz XPVGESOJKCSQNL-VQHPVUNQSA-N 1 3 322.497 2.127 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000654730190 425426435 /nfs/dbraw/zinc/42/64/35/425426435.db2.gz MPVRSASJZINSPM-IXDOHACOSA-N 1 3 322.497 2.129 20 0 DEADHO CCn1ccnc1[C@@H](C)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000658070491 425433801 /nfs/dbraw/zinc/43/38/01/425433801.db2.gz PITMUKOBFNNVNB-OAHLLOKOSA-N 1 3 320.481 2.445 20 0 DEADHO c1cn2c(n1)[C@H](NCC1CC[NH+](C3CCOCC3)CC1)CCC2 ZINC000658069635 425434875 /nfs/dbraw/zinc/43/48/75/425434875.db2.gz POTFDKNIXPUNRA-QGZVFWFLSA-N 1 3 318.465 2.199 20 0 DEADHO COC(C)(C)[C@@H](C)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658138029 425444013 /nfs/dbraw/zinc/44/40/13/425444013.db2.gz MALBWJKTXPODAS-RHSMWYFYSA-N 1 3 306.450 2.156 20 0 DEADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccnn1C ZINC000658167459 425450283 /nfs/dbraw/zinc/45/02/83/425450283.db2.gz SGPVCWBPSXPWPY-OAHLLOKOSA-N 1 3 313.449 2.378 20 0 DEADHO CN(C[C@H]1CCCN1C)C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655152451 425509193 /nfs/dbraw/zinc/50/91/93/425509193.db2.gz PRRMTMHOCBFVNS-ZWKOTPCHSA-N 1 3 315.461 2.061 20 0 DEADHO CN(C[C@H]1CCCN1C)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655152451 425509196 /nfs/dbraw/zinc/50/91/96/425509196.db2.gz PRRMTMHOCBFVNS-ZWKOTPCHSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000661898787 425521855 /nfs/dbraw/zinc/52/18/55/425521855.db2.gz SIEXQTSUCLPCHH-BBWFWOEESA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000661898787 425521859 /nfs/dbraw/zinc/52/18/59/425521859.db2.gz SIEXQTSUCLPCHH-BBWFWOEESA-N 1 3 322.497 2.033 20 0 DEADHO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000661897203 425521879 /nfs/dbraw/zinc/52/18/79/425521879.db2.gz HRAYHYHZHXRPBF-IRXDYDNUSA-N 1 3 324.513 2.233 20 0 DEADHO c1ccc2c(CCN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)noc2c1 ZINC000665232499 425523751 /nfs/dbraw/zinc/52/37/51/425523751.db2.gz OCZNEILDWFKYCO-HRCADAONSA-N 1 3 315.417 2.117 20 0 DEADHO C[C@H]1C[C@H](N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CN1C1CC1 ZINC000665254344 425529391 /nfs/dbraw/zinc/52/93/91/425529391.db2.gz OESNSNHAGXAFQY-PTKHLAPESA-N 1 3 317.452 2.486 20 0 DEADHO C[C@H]1C[C@H]([NH2+][C@@H]2CNCC[C@@H]2c2ccc(F)cc2)CCN1C ZINC000665257753 425530597 /nfs/dbraw/zinc/53/05/97/425530597.db2.gz SYDATMIZNGOOBV-OKDNKWQNSA-N 1 3 305.441 2.344 20 0 DEADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000665360880 425552819 /nfs/dbraw/zinc/55/28/19/425552819.db2.gz FGJREUYQULNDFS-GOEBONIOSA-N 1 3 324.513 2.231 20 0 DEADHO CC1CCC(N2CCN(C(=O)[C@@H]3C[C@@]34CCC[NH2+]C4)CC2)CC1 ZINC000655448360 425570474 /nfs/dbraw/zinc/57/04/74/425570474.db2.gz GIJNMRNAIGTHPI-BXNZUYAZSA-N 1 3 319.493 2.099 20 0 DEADHO [NH3+]C[C@@H](NC(=O)C[C@H]1NCc2ccccc21)C1CCCCC1 ZINC000659297585 425570833 /nfs/dbraw/zinc/57/08/33/425570833.db2.gz QEDZVTHLSOCDII-IAGOWNOFSA-N 1 3 301.434 2.245 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655469734 425575642 /nfs/dbraw/zinc/57/56/42/425575642.db2.gz ZBZILFBKMXSSOQ-DOTOQJQBSA-N 1 3 321.490 2.028 20 0 DEADHO COCCCC[N@@H+](Cc1ccccc1)C[C@H]1CCC2(CNC2)O1 ZINC000662254191 425601095 /nfs/dbraw/zinc/60/10/95/425601095.db2.gz NMJYGAJECRLOAE-GOSISDBHSA-N 1 3 318.461 2.436 20 0 DEADHO COCCCC[N@H+](Cc1ccccc1)C[C@H]1CCC2(CNC2)O1 ZINC000662254191 425601097 /nfs/dbraw/zinc/60/10/97/425601097.db2.gz NMJYGAJECRLOAE-GOSISDBHSA-N 1 3 318.461 2.436 20 0 DEADHO CCN(C[C@@H]1CNCCO1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000662261172 425605743 /nfs/dbraw/zinc/60/57/43/425605743.db2.gz WTFNYIYJQAMYTA-UHOSZYNNSA-N 1 3 317.477 2.132 20 0 DEADHO CCN(C[C@@H]1CNCCO1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000662261172 425605746 /nfs/dbraw/zinc/60/57/46/425605746.db2.gz WTFNYIYJQAMYTA-UHOSZYNNSA-N 1 3 317.477 2.132 20 0 DEADHO CO[C@H](C[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2)C1CCCCC1 ZINC000662272294 425609915 /nfs/dbraw/zinc/60/99/15/425609915.db2.gz DOTWBACCEKQYHT-IAGOWNOFSA-N 1 3 310.482 2.269 20 0 DEADHO CO[C@H](C[N@H+]1C[C@@H](CN)C2(C1)CCOCC2)C1CCCCC1 ZINC000662272294 425609922 /nfs/dbraw/zinc/60/99/22/425609922.db2.gz DOTWBACCEKQYHT-IAGOWNOFSA-N 1 3 310.482 2.269 20 0 DEADHO CC[NH+]1CCC(CNC(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662407882 425644859 /nfs/dbraw/zinc/64/48/59/425644859.db2.gz LHZXIODBRDIILH-QGZVFWFLSA-N 1 3 301.434 2.069 20 0 DEADHO C[C@H](CC[NH2+]C1CCN([C@H]2CCOC2)CC1)N1CCCCC1 ZINC000655754373 425646116 /nfs/dbraw/zinc/64/61/16/425646116.db2.gz OTUDPMWTZOUBPF-AEFFLSMTSA-N 1 3 309.498 2.094 20 0 DEADHO CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000662441127 425651625 /nfs/dbraw/zinc/65/16/25/425651625.db2.gz JHAAEDHITBYAJP-IRXDYDNUSA-N 1 3 309.498 2.474 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc2c(s1)CCNC2 ZINC000662458449 425655316 /nfs/dbraw/zinc/65/53/16/425655316.db2.gz MDMBBYLCAUZZKJ-AWEZNQCLSA-N 1 3 321.490 2.388 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cc2c(s1)CCNC2 ZINC000662458449 425655319 /nfs/dbraw/zinc/65/53/19/425655319.db2.gz MDMBBYLCAUZZKJ-AWEZNQCLSA-N 1 3 321.490 2.388 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000662462366 425656917 /nfs/dbraw/zinc/65/69/17/425656917.db2.gz IXSLHYVDOWNEKE-YOEHRIQHSA-N 1 3 303.450 2.326 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CCN1C ZINC000662476041 425661823 /nfs/dbraw/zinc/66/18/23/425661823.db2.gz POCZOMYVVVHTAU-XYPHTWIQSA-N 1 3 315.461 2.278 20 0 DEADHO CN(C)C1CC[NH+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000659836913 425663277 /nfs/dbraw/zinc/66/32/77/425663277.db2.gz CIAOYNYGTPAZIT-OAHLLOKOSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H]1C[C@H](NC(=O)C[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000662492819 425665585 /nfs/dbraw/zinc/66/55/85/425665585.db2.gz SHZTZWBRMMBCON-CGTJXYLNSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H](C(=O)NC1CCCC1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291949 425614126 /nfs/dbraw/zinc/61/41/26/425614126.db2.gz ZQCSWUNKDYSETE-HOCLYGCPSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@@H](C(=O)N1CCC(C)CC1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291433 425614689 /nfs/dbraw/zinc/61/46/89/425614689.db2.gz SGLVNXWSTXBELD-FUHWJXTLSA-N 1 3 321.509 2.345 20 0 DEADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3cc(C4CC4)no3)C2)C1 ZINC000662283711 425614856 /nfs/dbraw/zinc/61/48/56/425614856.db2.gz CRRYFDHZMRZKCQ-CPUCHLNUSA-N 1 3 305.422 2.270 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)NCC1([NH3+])CCCC1)c1ccco1 ZINC000659492134 425615408 /nfs/dbraw/zinc/61/54/08/425615408.db2.gz KBKAWPKEGKPAPE-UONOGXRCSA-N 1 3 322.453 2.280 20 0 DEADHO C[C@@H](NC(=O)N(C)CC(C)(C)[NH3+])[C@H](c1ccccc1)N(C)C ZINC000659492416 425615716 /nfs/dbraw/zinc/61/57/16/425615716.db2.gz NETRIYBDNYNLFC-UKRRQHHQSA-N 1 3 306.454 2.057 20 0 DEADHO CCCCCNC(=O)[C@H](C)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297476 425618038 /nfs/dbraw/zinc/61/80/38/425618038.db2.gz QKLSNSMBKGTQRE-RDJZCZTQSA-N 1 3 309.498 2.393 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000662339467 425627489 /nfs/dbraw/zinc/62/74/89/425627489.db2.gz YUBCPWNOVBISDA-ROUUACIJSA-N 1 3 313.445 2.212 20 0 DEADHO COCC1([NH2+]CCCN2CCN(C(C)C)CC2)CCCCC1 ZINC000662339209 425627976 /nfs/dbraw/zinc/62/79/76/425627976.db2.gz CDQRDOISURYERD-UHFFFAOYSA-N 1 3 311.514 2.341 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)C[NH2+]C(C)C)c1cccc(OC)c1 ZINC000662364399 425632330 /nfs/dbraw/zinc/63/23/30/425632330.db2.gz IDQBVHSRBHFLLX-KRWDZBQOSA-N 1 3 321.465 2.192 20 0 DEADHO CCCN1CC[C@@H](NC(=O)N(CCC[NH3+])Cc2ccccc2)C1 ZINC000659611278 425636798 /nfs/dbraw/zinc/63/67/98/425636798.db2.gz RBIXDWSIOKVCLP-QGZVFWFLSA-N 1 3 318.465 2.031 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659618980 425637245 /nfs/dbraw/zinc/63/72/45/425637245.db2.gz GOCYWVZLDUHFKR-MRXNPFEDSA-N 1 3 312.502 2.267 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](C)[C@H]1C ZINC000665758321 425640749 /nfs/dbraw/zinc/64/07/49/425640749.db2.gz FPBCDASNFZIHFP-HRCADAONSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](C)[C@H]1C ZINC000665758321 425640751 /nfs/dbraw/zinc/64/07/51/425640751.db2.gz FPBCDASNFZIHFP-HRCADAONSA-N 1 3 312.502 2.088 20 0 DEADHO CC1CCN([C@@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2)c2cccs2)CC1 ZINC000662662189 425706412 /nfs/dbraw/zinc/70/64/12/425706412.db2.gz BNBJTSREDWOLJW-KKUMJFAQSA-N 1 3 321.490 2.375 20 0 DEADHO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc2c(c1)CNC2 ZINC000662668370 425707416 /nfs/dbraw/zinc/70/74/16/425707416.db2.gz LKSHCNZTRJWYDB-KRWDZBQOSA-N 1 3 313.445 2.427 20 0 DEADHO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc2c(c1)CNC2 ZINC000662668370 425707419 /nfs/dbraw/zinc/70/74/19/425707419.db2.gz LKSHCNZTRJWYDB-KRWDZBQOSA-N 1 3 313.445 2.427 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)CC1([NH3+])CC1)c1cccc(OC)c1 ZINC000662670500 425708234 /nfs/dbraw/zinc/70/82/34/425708234.db2.gz LIGXMJCMGFSVIU-INIZCTEOSA-N 1 3 319.449 2.076 20 0 DEADHO COC[C@H]1CCCN1CC1(C[N@@H+]2CCC[C@@H]2COC)CCC1 ZINC000659989886 425709056 /nfs/dbraw/zinc/70/90/56/425709056.db2.gz VIWKPAQBUISPBX-IAGOWNOFSA-N 1 3 310.482 2.378 20 0 DEADHO COC[C@H]1CCCN1CC1(C[N@H+]2CCC[C@@H]2COC)CCC1 ZINC000659989886 425709059 /nfs/dbraw/zinc/70/90/59/425709059.db2.gz VIWKPAQBUISPBX-IAGOWNOFSA-N 1 3 310.482 2.378 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662682654 425712585 /nfs/dbraw/zinc/71/25/85/425712585.db2.gz NDWLDMGKHSYOGD-HUUCEWRRSA-N 1 3 307.482 2.132 20 0 DEADHO C[NH+](C)[C@H]1C[C@@H](CN[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC000656126930 425713787 /nfs/dbraw/zinc/71/37/87/425713787.db2.gz AWMUPSQYOUMHQB-OAUYIBNBSA-N 1 3 319.424 2.075 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CCc2cn[nH]n2)CC1 ZINC000660007145 425714498 /nfs/dbraw/zinc/71/44/98/425714498.db2.gz HJNANWIKUVGYTQ-HNNXBMFYSA-N 1 3 305.470 2.324 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCC1CCN(CCc2cn[nH]n2)CC1 ZINC000660007145 425714500 /nfs/dbraw/zinc/71/45/00/425714500.db2.gz HJNANWIKUVGYTQ-HNNXBMFYSA-N 1 3 305.470 2.324 20 0 DEADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2(NC3CC3)CCC2)C1 ZINC000662694913 425714803 /nfs/dbraw/zinc/71/48/03/425714803.db2.gz DHMGHCWDJGHYEJ-AWEZNQCLSA-N 1 3 307.482 2.288 20 0 DEADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C2(NC3CC3)CCC2)C1 ZINC000662694913 425714809 /nfs/dbraw/zinc/71/48/09/425714809.db2.gz DHMGHCWDJGHYEJ-AWEZNQCLSA-N 1 3 307.482 2.288 20 0 DEADHO C[C@@H](CNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)N(C)C ZINC000656195564 425728493 /nfs/dbraw/zinc/72/84/93/425728493.db2.gz RSBYATVGMJEORF-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO CC[NH+](CC)CCCNC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000660283691 425783306 /nfs/dbraw/zinc/78/33/06/425783306.db2.gz PKVWBICVDBDGLP-MRXNPFEDSA-N 1 3 312.502 2.138 20 0 DEADHO C[C@H]1CCCCN1CCNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000656538896 425787695 /nfs/dbraw/zinc/78/76/95/425787695.db2.gz JYRHTFHGVXMPOA-GJZGRUSLSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H]1CCCCN1CCNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000656538896 425787699 /nfs/dbraw/zinc/78/76/99/425787699.db2.gz JYRHTFHGVXMPOA-GJZGRUSLSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000656537851 425787972 /nfs/dbraw/zinc/78/79/72/425787972.db2.gz QLNCFEOLUSOUMJ-LSDHHAIUSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000656537851 425787976 /nfs/dbraw/zinc/78/79/76/425787976.db2.gz QLNCFEOLUSOUMJ-LSDHHAIUSA-N 1 3 310.486 2.033 20 0 DEADHO CC(C)[NH+](CCN(C)C(=O)[C@@H](C1CC1)N1CCCC1)C(C)C ZINC000354328778 269035025 /nfs/dbraw/zinc/03/50/25/269035025.db2.gz WBEXWNLGMLBKPP-QGZVFWFLSA-N 1 3 309.498 2.438 20 0 DEADHO C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCC(O)(C[NH3+])CC1 ZINC000396962928 269104073 /nfs/dbraw/zinc/10/40/73/269104073.db2.gz DEAHMWWIUIMWKF-LLVKDONJSA-N 1 3 318.339 2.432 20 0 DEADHO C[C@@H]1C[C@H](C)N(CCC(=O)Nc2cccc(F)c2)C[C@H]1C[NH3+] ZINC000397433969 269106378 /nfs/dbraw/zinc/10/63/78/269106378.db2.gz BDCHTQWDWGWLFC-HZSPNIEDSA-N 1 3 307.413 2.460 20 0 DEADHO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2cccc(F)c2)C[C@H]1CN ZINC000397433969 269106379 /nfs/dbraw/zinc/10/63/79/269106379.db2.gz BDCHTQWDWGWLFC-HZSPNIEDSA-N 1 3 307.413 2.460 20 0 DEADHO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2cccc(F)c2)C[C@H]1CN ZINC000397433969 269106380 /nfs/dbraw/zinc/10/63/80/269106380.db2.gz BDCHTQWDWGWLFC-HZSPNIEDSA-N 1 3 307.413 2.460 20 0 DEADHO C[C@@H]1C[C@@H](C)N(CCC(=O)Nc2ccccc2F)C[C@@H]1C[NH3+] ZINC000397486155 269106986 /nfs/dbraw/zinc/10/69/86/269106986.db2.gz VAAPCHJBXMSHOB-MCIONIFRSA-N 1 3 307.413 2.460 20 0 DEADHO O=C(NCCCCC[NH2+][C@@H]1CCNC1)OCc1ccccc1 ZINC000397932922 269107483 /nfs/dbraw/zinc/10/74/83/269107483.db2.gz QMYZBBUTPPDLEF-MRXNPFEDSA-N 1 3 305.422 2.035 20 0 DEADHO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCCN2CCCC2)C1 ZINC000495565432 269155609 /nfs/dbraw/zinc/15/56/09/269155609.db2.gz MHIYPCVXWSSXHD-HOTGVXAUSA-N 1 3 311.470 2.319 20 0 DEADHO [NH3+][C@H](CNC1CCN(C(=O)OCc2ccccc2)CC1)C1CC1 ZINC000496461314 269220601 /nfs/dbraw/zinc/22/06/01/269220601.db2.gz NMMSQSUXFYCGJY-QGZVFWFLSA-N 1 3 317.433 2.115 20 0 DEADHO C[C@H]([NH2+]CC1=CCN(C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496973649 269273057 /nfs/dbraw/zinc/27/30/57/269273057.db2.gz KLLHRZDBDUFQJD-ZDUSSCGKSA-N 1 3 309.454 2.093 20 0 DEADHO COC(=O)N1CCC(CN[C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000497085090 269284699 /nfs/dbraw/zinc/28/46/99/269284699.db2.gz WQLMDUWRXRVEES-GDBMZVCRSA-N 1 3 311.470 2.365 20 0 DEADHO C[N@@H+]1CC[C@H](N[C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H]2CCC[C@@H]21 ZINC000497188998 269292039 /nfs/dbraw/zinc/29/20/39/269292039.db2.gz CJUBLEFHLZTRBO-FZKCQIBNSA-N 1 3 323.481 2.458 20 0 DEADHO C[N@H+]1CC[C@H](N[C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H]2CCC[C@@H]21 ZINC000497188998 269292041 /nfs/dbraw/zinc/29/20/41/269292041.db2.gz CJUBLEFHLZTRBO-FZKCQIBNSA-N 1 3 323.481 2.458 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)NCCC[NH+]1CCCC1 ZINC000505768415 269312714 /nfs/dbraw/zinc/31/27/14/269312714.db2.gz XYPRHIMMXBZWSH-UHFFFAOYSA-N 1 3 324.513 2.380 20 0 DEADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N[C@@H](C)C[NH+](C)C)N(C)C ZINC000508873326 269318802 /nfs/dbraw/zinc/31/88/02/269318802.db2.gz SYRYVECVFQLVAG-ZMSDIMECSA-N 1 3 320.481 2.236 20 0 DEADHO C[C@@H](CN(C)C)NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000512436399 269321159 /nfs/dbraw/zinc/32/11/59/269321159.db2.gz JZIBQFSXRNZYSF-GVDBMIGSSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](CN(C)C)NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000512436399 269321161 /nfs/dbraw/zinc/32/11/61/269321161.db2.gz JZIBQFSXRNZYSF-GVDBMIGSSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H](CC(N)=O)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512630587 269322005 /nfs/dbraw/zinc/32/20/05/269322005.db2.gz NPDJARWXPUKMTG-NRSFXHEJSA-N 1 3 315.461 2.141 20 0 DEADHO C[C@H](CC(N)=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512630587 269322006 /nfs/dbraw/zinc/32/20/06/269322006.db2.gz NPDJARWXPUKMTG-NRSFXHEJSA-N 1 3 315.461 2.141 20 0 DEADHO C[C@H](CC(N)=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512630587 269322008 /nfs/dbraw/zinc/32/20/08/269322008.db2.gz NPDJARWXPUKMTG-NRSFXHEJSA-N 1 3 315.461 2.141 20 0 DEADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000515299193 269348566 /nfs/dbraw/zinc/34/85/66/269348566.db2.gz QWETVAFFYXTJGX-CVEARBPZSA-N 1 3 324.513 2.458 20 0 DEADHO C[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000516088015 269357368 /nfs/dbraw/zinc/35/73/68/269357368.db2.gz GVUOYBSVFHXOEU-RDJZCZTQSA-N 1 3 303.450 2.184 20 0 DEADHO N[C@@H](CC(=O)NCCC[NH+]1CCCCCC1)Cc1ccccc1 ZINC000517238984 269380932 /nfs/dbraw/zinc/38/09/32/269380932.db2.gz NXYCKABSXVZUMD-GOSISDBHSA-N 1 3 317.477 2.329 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)NCC[NH+](CC)CC ZINC000517412123 269385302 /nfs/dbraw/zinc/38/53/02/269385302.db2.gz GOZOHTVTORAHFC-UHFFFAOYSA-N 1 3 312.502 2.236 20 0 DEADHO COC[C@@H](O)CNCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000517732482 269390839 /nfs/dbraw/zinc/39/08/39/269390839.db2.gz JENLEDVXJGNOAC-SFHVURJKSA-N 1 3 306.450 2.160 20 0 DEADHO CCC[NH+]1CCC(NC(=O)NC[C@H]2CCN2C2CCCC2)CC1 ZINC000527643611 269536399 /nfs/dbraw/zinc/53/63/99/269536399.db2.gz UQAVRMAJYQSMLC-QGZVFWFLSA-N 1 3 322.497 2.177 20 0 DEADHO C([C@H]1CC[N@H+](CC2CCC3(CC2)OCCO3)C1)N1CCCC1 ZINC000190245249 275397823 /nfs/dbraw/zinc/39/78/23/275397823.db2.gz FEQQXTWAZMTYDR-QGZVFWFLSA-N 1 3 308.466 2.337 20 0 DEADHO C([C@H]1CC[N@@H+](CC2CCC3(CC2)OCCO3)C1)N1CCCC1 ZINC000190245249 275397824 /nfs/dbraw/zinc/39/78/24/275397824.db2.gz FEQQXTWAZMTYDR-QGZVFWFLSA-N 1 3 308.466 2.337 20 0 DEADHO C([C@H]1CCN(CC2CCC3(CC2)OCCO3)C1)[NH+]1CCCC1 ZINC000190245249 275397825 /nfs/dbraw/zinc/39/78/25/275397825.db2.gz FEQQXTWAZMTYDR-QGZVFWFLSA-N 1 3 308.466 2.337 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000418359718 275749007 /nfs/dbraw/zinc/74/90/07/275749007.db2.gz SFKMRSUOPKTFQB-BRWVUGGUSA-N 1 3 318.465 2.379 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000295755600 276018073 /nfs/dbraw/zinc/01/80/73/276018073.db2.gz PUQVWUWQTVVLCK-CQSZACIVSA-N 1 3 309.429 2.104 20 0 DEADHO CCN(C(=O)[C@H]1CC[NH2+]C1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000446263062 276064274 /nfs/dbraw/zinc/06/42/74/276064274.db2.gz SSTNNHKYPJMOCI-BPQIPLTHSA-N 1 3 315.461 2.280 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NCCN(C)C1CC1 ZINC000431692567 276105521 /nfs/dbraw/zinc/10/55/21/276105521.db2.gz PNGJEYCJYSJICJ-RDJZCZTQSA-N 1 3 324.513 2.280 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418427527 276253732 /nfs/dbraw/zinc/25/37/32/276253732.db2.gz OFBZDFVZFGWABL-DLBZAZTESA-N 1 3 324.513 2.411 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)NC[C@@H](C)C[NH2+]C)N(C)C)cc1 ZINC000416832530 276670121 /nfs/dbraw/zinc/67/01/21/276670121.db2.gz BZFXAEFGVRNXFA-WMLDXEAASA-N 1 3 320.481 2.006 20 0 DEADHO C[C@@H]1NCCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC000277455376 278049969 /nfs/dbraw/zinc/04/99/69/278049969.db2.gz HGDJETFHNYIKJT-HOTGVXAUSA-N 1 3 315.461 2.107 20 0 DEADHO CC1(C)CC(NC(=O)C2CCN(C3CC3)CC2)CC(C)(C)[NH2+]1 ZINC000338723544 278189606 /nfs/dbraw/zinc/18/96/06/278189606.db2.gz YFXFFBBFJQGHMC-UHFFFAOYSA-N 1 3 307.482 2.286 20 0 DEADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccccc1N(C)C ZINC000093942168 278254516 /nfs/dbraw/zinc/25/45/16/278254516.db2.gz JUPPHAYITYWBJW-INIZCTEOSA-N 1 3 318.509 2.429 20 0 DEADHO CC1(C)[C@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@@H]2CCO[C@@H]21 ZINC000436471029 278443545 /nfs/dbraw/zinc/44/35/45/278443545.db2.gz PEQZTEVCHQQPNC-BBWFWOEESA-N 1 3 301.434 2.454 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000423070036 278562410 /nfs/dbraw/zinc/56/24/10/278562410.db2.gz CCKDBBICPDYSSR-QCSYZSNVSA-N 1 3 306.425 2.269 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)N1CCC([C@H](C)[NH3+])CC1 ZINC000430931846 279229113 /nfs/dbraw/zinc/22/91/13/279229113.db2.gz FBLNOWAXAXYNQX-LVNYTYFRSA-N 1 3 309.498 2.375 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000349938628 279279680 /nfs/dbraw/zinc/27/96/80/279279680.db2.gz QGMYIBDTAUZHTD-DLBZAZTESA-N 1 3 322.497 2.131 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1CCCC1 ZINC000337962218 279302200 /nfs/dbraw/zinc/30/22/00/279302200.db2.gz KPFXDRAOFUZTAA-QGZVFWFLSA-N 1 3 324.513 2.234 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1CCCC1 ZINC000337962218 279302202 /nfs/dbraw/zinc/30/22/02/279302202.db2.gz KPFXDRAOFUZTAA-QGZVFWFLSA-N 1 3 324.513 2.234 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H](C)C2(OC)CCCCC2)CC1 ZINC000421821648 279357289 /nfs/dbraw/zinc/35/72/89/279357289.db2.gz SLQAGIXLINMBSR-QGZVFWFLSA-N 1 3 311.514 2.341 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@H]2C[C@@H](C)N(C)C[C@H]2C)C[C@H](C)O1 ZINC000178036727 288161406 /nfs/dbraw/zinc/16/14/06/288161406.db2.gz WDYMDVRPHJXSFU-DZVNLGKHSA-N 1 3 311.514 2.194 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCc3nn(C)cc32)C[C@H](C)O1 ZINC000358754716 288161502 /nfs/dbraw/zinc/16/15/02/288161502.db2.gz NKYJMVOVJIJONZ-UXLLHSPISA-N 1 3 320.481 2.277 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCc3c2cnn3C)C[C@@H](C)O1 ZINC000247116469 288161537 /nfs/dbraw/zinc/16/15/37/288161537.db2.gz UHXBCDGJNHLVCV-INMHGKMJSA-N 1 3 320.481 2.277 20 0 DEADHO CC[C@@H](C(=O)Nc1ccc2c(c1)CNCCO2)[NH+](CC)CC ZINC000291022683 280083277 /nfs/dbraw/zinc/08/32/77/280083277.db2.gz FQUKOSFVELFXPF-HNNXBMFYSA-N 1 3 305.422 2.228 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC2(CC[NH2+]CC2)CC1)N1CCCCC1 ZINC000358885269 280143312 /nfs/dbraw/zinc/14/33/12/280143312.db2.gz IEBANUKGLKHYDB-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO O=C(c1ccc2c(c1)CNC2)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000347503184 280195358 /nfs/dbraw/zinc/19/53/58/280195358.db2.gz OUJUOCQVCDYFEN-GOSISDBHSA-N 1 3 313.445 2.380 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000433166267 280236811 /nfs/dbraw/zinc/23/68/11/280236811.db2.gz FOTPJFZZEPWSEQ-OFQRWUPVSA-N 1 3 323.506 2.478 20 0 DEADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000417027538 280279534 /nfs/dbraw/zinc/27/95/34/280279534.db2.gz ZXSKAWZXINTUSN-BZUAXINKSA-N 1 3 312.502 2.122 20 0 DEADHO CC(C)[C@H]([NH3+])CNC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000418171625 280285385 /nfs/dbraw/zinc/28/53/85/280285385.db2.gz OGAAVNAXBNGVCD-MRXNPFEDSA-N 1 3 324.513 2.315 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc2ccccc2s1 ZINC000103211365 281651525 /nfs/dbraw/zinc/65/15/25/281651525.db2.gz BDRVILYGAAGPAC-UHFFFAOYSA-N 1 3 319.474 2.467 20 0 DEADHO C[C@@H](C(=O)NC1CC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121785874 281762413 /nfs/dbraw/zinc/76/24/13/281762413.db2.gz MPACACCFDPVODV-HNNXBMFYSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)C3(N)CC3)cc2)C1 ZINC000237469990 288478497 /nfs/dbraw/zinc/47/84/97/288478497.db2.gz BNRHZMVCFIXZKA-HUUCEWRRSA-N 1 3 315.461 2.272 20 0 DEADHO C[C@H](C(=O)N(C)C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821315 289241707 /nfs/dbraw/zinc/24/17/07/289241707.db2.gz DKVDECJFLKDIDS-OAHLLOKOSA-N 1 3 318.465 2.097 20 0 DEADHO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCCN1C1CCCC1)C1CC1 ZINC000448750605 289284646 /nfs/dbraw/zinc/28/46/46/289284646.db2.gz QJLXVTQYEPSMPX-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NCC[NH2+]C1CCCCCC1 ZINC000417013388 289566185 /nfs/dbraw/zinc/56/61/85/289566185.db2.gz CAAWPAGXLQFCSX-MRXNPFEDSA-N 1 3 324.513 2.472 20 0 DEADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3C3CCCC3)C2)C1 ZINC000346333209 290186842 /nfs/dbraw/zinc/18/68/42/290186842.db2.gz WWLYTJQKEWCQQN-PKOBYXMFSA-N 1 3 319.493 2.338 20 0 DEADHO C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3C3CCCC3)C2)C1 ZINC000346333209 290186844 /nfs/dbraw/zinc/18/68/44/290186844.db2.gz WWLYTJQKEWCQQN-PKOBYXMFSA-N 1 3 319.493 2.338 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000423439258 295330307 /nfs/dbraw/zinc/33/03/07/295330307.db2.gz HVIBJMTZDUPKNA-IAGOWNOFSA-N 1 3 307.482 2.275 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCNC(C)(C)C2)C1 ZINC000417222597 297226930 /nfs/dbraw/zinc/22/69/30/297226930.db2.gz QKAXYUWMMXJWGJ-HUUCEWRRSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CCN1C ZINC000341210929 297274050 /nfs/dbraw/zinc/27/40/50/297274050.db2.gz WMCVOHCBMBYWJL-IKGGRYGDSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H](C(=O)N1CCCC12CCN(C)CC2)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000412230809 298012675 /nfs/dbraw/zinc/01/26/75/298012675.db2.gz SHCPUWXLDRDQJM-OWCLPIDISA-N 1 3 307.482 2.335 20 0 DEADHO C[C@H](C(=O)N1CCCC12CCN(C)CC2)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412230809 298012677 /nfs/dbraw/zinc/01/26/77/298012677.db2.gz SHCPUWXLDRDQJM-OWCLPIDISA-N 1 3 307.482 2.335 20 0 DEADHO C[C@H](C(=O)N1CCCCCC1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261958438 298015821 /nfs/dbraw/zinc/01/58/21/298015821.db2.gz OHWJGVGSWSTAAC-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1CN(C)CC[C@H]1[NH2+]CC1(N(C)C)Cc2ccccc2C1 ZINC000361763501 300220099 /nfs/dbraw/zinc/22/00/99/300220099.db2.gz FAXCCTWZSWDKDD-MAUKXSAKSA-N 1 3 301.478 2.015 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2c2ccsc2)C1 ZINC000414671105 303366429 /nfs/dbraw/zinc/36/64/29/303366429.db2.gz FGXUWSXAVJUXPK-HIFRSBDPSA-N 1 3 307.463 2.082 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]2c2ccsc2)C1 ZINC000414671105 303366432 /nfs/dbraw/zinc/36/64/32/303366432.db2.gz FGXUWSXAVJUXPK-HIFRSBDPSA-N 1 3 307.463 2.082 20 0 DEADHO O=C(NCCCCC[NH+]1CCCC1)NC1CCN(C2CC2)CC1 ZINC000454214133 303765209 /nfs/dbraw/zinc/76/52/09/303765209.db2.gz OSKOYUFRNZCERI-UHFFFAOYSA-N 1 3 322.497 2.179 20 0 DEADHO C[NH+](C)CCOc1cnccc1CNC[C@@H](O)C1CCCCC1 ZINC000573914740 326104438 /nfs/dbraw/zinc/10/44/38/326104438.db2.gz RXYMZTRXBGNJNS-QGZVFWFLSA-N 1 3 321.465 2.053 20 0 DEADHO CCN1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000574171282 326129807 /nfs/dbraw/zinc/12/98/07/326129807.db2.gz WDRLRPNSTPMYGZ-KRWDZBQOSA-N 1 3 303.450 2.005 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000574906772 326199702 /nfs/dbraw/zinc/19/97/02/326199702.db2.gz KDHFUNTVMZRHHS-GVDBMIGSSA-N 1 3 322.497 2.164 20 0 DEADHO CC(C)(C)[N@@H+]1CCCN(C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000575027403 326211401 /nfs/dbraw/zinc/21/14/01/326211401.db2.gz MQLZRGBNOATSBQ-INIZCTEOSA-N 1 3 318.465 2.202 20 0 DEADHO CC(C)(C)[N@H+]1CCCN(C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000575027403 326211403 /nfs/dbraw/zinc/21/14/03/326211403.db2.gz MQLZRGBNOATSBQ-INIZCTEOSA-N 1 3 318.465 2.202 20 0 DEADHO Cc1ccc(C(=O)N2CCC([NH2+][C@H]3CCC[C@H](N)C3)CC2)cc1 ZINC000575331248 326234780 /nfs/dbraw/zinc/23/47/80/326234780.db2.gz NQHICEGJNDLXPI-WMZOPIPTSA-N 1 3 315.461 2.459 20 0 DEADHO C[C@H]([NH2+]C[C@H](O)COc1ccccc1Cl)C1=CCN(C)CC1 ZINC000576745892 326315761 /nfs/dbraw/zinc/31/57/61/326315761.db2.gz CBTGLZQPZRNEGG-ZFWWWQNUSA-N 1 3 324.852 2.320 20 0 DEADHO C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000582243408 336392308 /nfs/dbraw/zinc/39/23/08/336392308.db2.gz MFNAIZIISDRPHG-GOEBONIOSA-N 1 3 303.450 2.171 20 0 DEADHO C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000582243408 336392309 /nfs/dbraw/zinc/39/23/09/336392309.db2.gz MFNAIZIISDRPHG-GOEBONIOSA-N 1 3 303.450 2.171 20 0 DEADHO CC(C)(C[NH2+]C[C@H](O)COc1ccc(F)cc1)CN1CCCC1 ZINC000582542116 337106968 /nfs/dbraw/zinc/10/69/68/337106968.db2.gz LUCMQYJUVDYWGE-INIZCTEOSA-N 1 3 324.440 2.277 20 0 DEADHO Cc1cccc(OC[C@@H](O)C[NH2+]C[C@@H](C)CN2CCCCC2)c1 ZINC000582601374 337111907 /nfs/dbraw/zinc/11/19/07/337111907.db2.gz KFGSWNGEXDIYQD-MSOLQXFVSA-N 1 3 320.477 2.446 20 0 DEADHO CC(C)[NH+](CCCNC(=O)[C@@H](CN)c1ccccc1)C(C)C ZINC000582963185 337219433 /nfs/dbraw/zinc/21/94/33/337219433.db2.gz UEVVOSUJRQLLJX-KRWDZBQOSA-N 1 3 305.466 2.354 20 0 DEADHO CC(C)[NH2+]CCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000398161497 337307687 /nfs/dbraw/zinc/30/76/87/337307687.db2.gz SCKWVPNKKOBQAA-SJLPKXTDSA-N 1 3 317.477 2.401 20 0 DEADHO N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000583747056 337328581 /nfs/dbraw/zinc/32/85/81/337328581.db2.gz RFHLAMUYEHEWRY-QZTJIDSGSA-N 1 3 304.434 2.352 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000583751182 337329298 /nfs/dbraw/zinc/32/92/98/337329298.db2.gz HQCNFRIKEMXFCG-LSDHHAIUSA-N 1 3 318.465 2.076 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CNCc2ccccc21 ZINC000583810009 337336168 /nfs/dbraw/zinc/33/61/68/337336168.db2.gz RAQUHXVXQJOONA-FUHWJXTLSA-N 1 3 315.461 2.254 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CNCc2ccccc21 ZINC000583810009 337336169 /nfs/dbraw/zinc/33/61/69/337336169.db2.gz RAQUHXVXQJOONA-FUHWJXTLSA-N 1 3 315.461 2.254 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000584523779 337355250 /nfs/dbraw/zinc/35/52/50/337355250.db2.gz QPBDBCBGHGUGDE-CWRNSKLLSA-N 1 3 302.422 2.010 20 0 DEADHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000584523779 337355251 /nfs/dbraw/zinc/35/52/51/337355251.db2.gz QPBDBCBGHGUGDE-CWRNSKLLSA-N 1 3 302.422 2.010 20 0 DEADHO CCCN(C)CC(=O)NC1(C[NH2+]Cc2ccns2)CCCC1 ZINC001378372365 1152308091 /nfs/dbraw/zinc/30/80/91/1152308091.db2.gz IGYOOBVFECTZMT-UHFFFAOYSA-N 1 3 324.494 2.004 20 0 DEADHO CC(C)CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001377666775 1160695192 /nfs/dbraw/zinc/69/51/92/1160695192.db2.gz HWHDVJLXAMSVTC-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001377666775 1160695203 /nfs/dbraw/zinc/69/52/03/1160695203.db2.gz HWHDVJLXAMSVTC-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC001378528675 1152363435 /nfs/dbraw/zinc/36/34/35/1152363435.db2.gz IODZYFLOYQEUJE-AWEZNQCLSA-N 1 3 321.509 2.343 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H](C[N@H+](C)C/C=C\Cl)C1 ZINC001398460374 1160897579 /nfs/dbraw/zinc/89/75/79/1160897579.db2.gz PYKJOVFRSAETFR-OVUXIIJLSA-N 1 3 313.873 2.004 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H](C[N@@H+](C)C/C=C\Cl)C1 ZINC001398460374 1160897580 /nfs/dbraw/zinc/89/75/80/1160897580.db2.gz PYKJOVFRSAETFR-OVUXIIJLSA-N 1 3 313.873 2.004 20 0 DEADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]Cc2ccc(F)cc2)C1 ZINC001369578760 1149049324 /nfs/dbraw/zinc/04/93/24/1149049324.db2.gz OQTBRLMSDJDJOZ-UHFFFAOYSA-N 1 3 321.440 2.247 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2cncs2)CCCC1)N(C)C ZINC001378712770 1152421172 /nfs/dbraw/zinc/42/11/72/1152421172.db2.gz DKGMYBMFGYCLLJ-AWEZNQCLSA-N 1 3 324.494 2.002 20 0 DEADHO COc1cccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)N(C)C)c1 ZINC000422727416 533781096 /nfs/dbraw/zinc/78/10/96/533781096.db2.gz HJXKXVSVHQYQRI-ONYGOOLBSA-N 1 3 303.450 2.171 20 0 DEADHO C[C@H](CCC[NH3+])NCC(=O)Nc1cccc(Br)c1 ZINC000423037366 533868780 /nfs/dbraw/zinc/86/87/80/533868780.db2.gz BGKKVVOQDJIACI-SNVBAGLBSA-N 1 3 314.227 2.105 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NCC(C)(C)[NH3+])CCN1Cc1ccccc1 ZINC000417835117 533923191 /nfs/dbraw/zinc/92/31/91/533923191.db2.gz KNGBOERNYPAKTO-GDBMZVCRSA-N 1 3 318.465 2.076 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)NC1CC[NH+](CC2CC2)CC1 ZINC000422699815 534350999 /nfs/dbraw/zinc/35/09/99/534350999.db2.gz BFLMPNWQQYQQRU-CYBMUJFWSA-N 1 3 302.466 2.374 20 0 DEADHO O[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000294895977 534442146 /nfs/dbraw/zinc/44/21/46/534442146.db2.gz REVRQDGKHUSHEE-UJWQCDCRSA-N 1 3 300.446 2.400 20 0 DEADHO O[C@H]1C[C@@H](N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000294895977 534442153 /nfs/dbraw/zinc/44/21/53/534442153.db2.gz REVRQDGKHUSHEE-UJWQCDCRSA-N 1 3 300.446 2.400 20 0 DEADHO O[C@H]1C[C@@H](N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000294895977 534442164 /nfs/dbraw/zinc/44/21/64/534442164.db2.gz REVRQDGKHUSHEE-UJWQCDCRSA-N 1 3 300.446 2.400 20 0 DEADHO CC(C)[C@H](CNC(=O)NCCN1CCC[C@H](C)C1)[NH+]1CCCC1 ZINC000105127719 519815362 /nfs/dbraw/zinc/81/53/62/519815362.db2.gz HNBDZXFUAOQLRH-IRXDYDNUSA-N 1 3 324.513 2.138 20 0 DEADHO CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)CC(C)C ZINC000157612997 520335570 /nfs/dbraw/zinc/33/55/70/520335570.db2.gz ZQTSNAPCQQIKEJ-QGZVFWFLSA-N 1 3 305.466 2.383 20 0 DEADHO CC[N@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)CC(C)C ZINC000157612997 520335577 /nfs/dbraw/zinc/33/55/77/520335577.db2.gz ZQTSNAPCQQIKEJ-QGZVFWFLSA-N 1 3 305.466 2.383 20 0 DEADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCCOCC1CC1 ZINC000422884748 534503019 /nfs/dbraw/zinc/50/30/19/534503019.db2.gz FPPMMZOKTGJKFH-FUHWJXTLSA-N 1 3 302.418 2.259 20 0 DEADHO CCN(CCNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)C1CC1 ZINC000337015214 521062926 /nfs/dbraw/zinc/06/29/26/521062926.db2.gz KUDGRBGNQWRDPM-MRXNPFEDSA-N 1 3 322.497 2.034 20 0 DEADHO CCN(CCNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)C1CC1 ZINC000337015214 521062933 /nfs/dbraw/zinc/06/29/33/521062933.db2.gz KUDGRBGNQWRDPM-MRXNPFEDSA-N 1 3 322.497 2.034 20 0 DEADHO CCN1CCC(NC(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000338281149 521574199 /nfs/dbraw/zinc/57/41/99/521574199.db2.gz FBCPQHUOYPISEN-OWCLPIDISA-N 1 3 324.513 2.136 20 0 DEADHO CCN1CCC(NC(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000338281149 521574206 /nfs/dbraw/zinc/57/42/06/521574206.db2.gz FBCPQHUOYPISEN-OWCLPIDISA-N 1 3 324.513 2.136 20 0 DEADHO C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000366005009 524046031 /nfs/dbraw/zinc/04/60/31/524046031.db2.gz OLVKAGLCSMJYEJ-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCN1CCC[C@@H](C)C1 ZINC000338292267 524614961 /nfs/dbraw/zinc/61/49/61/524614961.db2.gz RTLPAJFZNQYYMG-ZACQAIPSSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCN1CCC[C@@H](C)C1 ZINC000338292267 524614969 /nfs/dbraw/zinc/61/49/69/524614969.db2.gz RTLPAJFZNQYYMG-ZACQAIPSSA-N 1 3 324.513 2.138 20 0 DEADHO Cc1ccc(NC(=O)CC[N@H+](C)CCCN2CCCC2)nc1 ZINC000337229620 525034957 /nfs/dbraw/zinc/03/49/57/525034957.db2.gz SAMOQUPUCDGWIY-UHFFFAOYSA-N 1 3 304.438 2.136 20 0 DEADHO Cc1ccc(NC(=O)CC[N@@H+](C)CCCN2CCCC2)nc1 ZINC000337229620 525034972 /nfs/dbraw/zinc/03/49/72/525034972.db2.gz SAMOQUPUCDGWIY-UHFFFAOYSA-N 1 3 304.438 2.136 20 0 DEADHO C[C@@H](NC[C@H](O)C[NH+](C)C)[C@@H](C)c1nc2ccccc2s1 ZINC000154312063 525493809 /nfs/dbraw/zinc/49/38/09/525493809.db2.gz XDJJJBKJJCTRMA-UPJWGTAASA-N 1 3 307.463 2.300 20 0 DEADHO CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001368675034 1148568146 /nfs/dbraw/zinc/56/81/46/1148568146.db2.gz QMNISZPIBNGEFS-QZTJIDSGSA-N 1 3 317.477 2.322 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H](C)[C@H](C)[NH3+])N2CCCC2)cc1 ZINC000249137634 525956106 /nfs/dbraw/zinc/95/61/06/525956106.db2.gz YZCUMNTVKSWCJU-VYDXJSESSA-N 1 3 303.450 2.231 20 0 DEADHO CC(C)(C)c1cnc(CNCC2CC[NH+](CCO)CC2)s1 ZINC000447929334 526822805 /nfs/dbraw/zinc/82/28/05/526822805.db2.gz JQXAFAGWBKXOFM-UHFFFAOYSA-N 1 3 311.495 2.235 20 0 DEADHO CC(C)CC[NH+]1CCC(CNC(=O)N2C[C@@H](C)NC[C@@H]2C)CC1 ZINC000417857802 527723187 /nfs/dbraw/zinc/72/31/87/527723187.db2.gz YHBKTVAUPZEYDH-CVEARBPZSA-N 1 3 324.513 2.136 20 0 DEADHO CCCN(C(=O)NCC[NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418296763 527752317 /nfs/dbraw/zinc/75/23/17/527752317.db2.gz JTXAVQWDQKPBBE-KRWDZBQOSA-N 1 3 318.465 2.031 20 0 DEADHO CC(C)CN(CCN(C)C)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000418561699 527941039 /nfs/dbraw/zinc/94/10/39/527941039.db2.gz ZKUBKKBSEWUJEF-UHFFFAOYSA-N 1 3 318.465 2.019 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418492126 528085509 /nfs/dbraw/zinc/08/55/09/528085509.db2.gz UHEJGJUMTHTXEG-INIZCTEOSA-N 1 3 310.486 2.021 20 0 DEADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C[C@@H]1COCCN1 ZINC000422840542 528172207 /nfs/dbraw/zinc/17/22/07/528172207.db2.gz TXZOCMNXBLLOKP-XDNAFOTISA-N 1 3 311.514 2.244 20 0 DEADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000418457392 528191299 /nfs/dbraw/zinc/19/12/99/528191299.db2.gz VMGNGTOPOOHTIJ-QGZVFWFLSA-N 1 3 318.465 2.202 20 0 DEADHO CC1CCC(N2CCN(C(=O)N[C@H]3CC[NH2+][C@H](C)C3)CC2)CC1 ZINC000418596718 528194214 /nfs/dbraw/zinc/19/42/14/528194214.db2.gz HFSMBKZKOFAEOR-GMRIPVOYSA-N 1 3 322.497 2.033 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000418243351 528312184 /nfs/dbraw/zinc/31/21/84/528312184.db2.gz WJVBAHJGWOVLBO-IKGGRYGDSA-N 1 3 324.513 2.408 20 0 DEADHO CC[NH2+]CCNC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000417706210 528312548 /nfs/dbraw/zinc/31/25/48/528312548.db2.gz ORNRTVOILWWCOM-CQSZACIVSA-N 1 3 306.454 2.025 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418242893 528313758 /nfs/dbraw/zinc/31/37/58/528313758.db2.gz VLHZUJRKDMKKTG-IKGGRYGDSA-N 1 3 324.513 2.314 20 0 DEADHO CC[NH2+]Cc1cccc(NC(=O)N(C)C[C@H]2CCCN2C)c1 ZINC000422567040 528339645 /nfs/dbraw/zinc/33/96/45/528339645.db2.gz VPOWORQLXVLIMZ-MRXNPFEDSA-N 1 3 304.438 2.354 20 0 DEADHO CCOc1ccc(C2(CN[C@H](C)C3C[NH2+]C3)CCOCC2)cc1 ZINC000422881946 528412468 /nfs/dbraw/zinc/41/24/68/528412468.db2.gz RIAJALSWLHAFOH-OAHLLOKOSA-N 1 3 318.461 2.331 20 0 DEADHO CCOc1ccc(C2(C[NH2+][C@H](C)C3CNC3)CCOCC2)cc1 ZINC000422881946 528412475 /nfs/dbraw/zinc/41/24/75/528412475.db2.gz RIAJALSWLHAFOH-OAHLLOKOSA-N 1 3 318.461 2.331 20 0 DEADHO CCN(CCNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000417434280 528487670 /nfs/dbraw/zinc/48/76/70/528487670.db2.gz XALXLPLFTJABPX-WBVHZDCISA-N 1 3 322.497 2.034 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000295622711 528548968 /nfs/dbraw/zinc/54/89/68/528548968.db2.gz HAIRBXKZQLIEFA-CQSZACIVSA-N 1 3 309.429 2.104 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000294969119 528554128 /nfs/dbraw/zinc/55/41/28/528554128.db2.gz GIKNHROWYCBJFB-WBVHZDCISA-N 1 3 303.450 2.155 20 0 DEADHO CCC([NH3+])(CC)CNC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000418441471 528929374 /nfs/dbraw/zinc/92/93/74/528929374.db2.gz RQLSNJPADQKRBY-AWEZNQCLSA-N 1 3 310.486 2.020 20 0 DEADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cccc(C)c2F)CC1 ZINC000294966446 529147311 /nfs/dbraw/zinc/14/73/11/529147311.db2.gz GCSSEJBVIPUJLL-HNNXBMFYSA-N 1 3 307.457 2.497 20 0 DEADHO CCN1CCN(Cc2ccc(N[C@@H]3C[NH2+]CC[C@@H]3C)cc2)CC1 ZINC000422920689 529149365 /nfs/dbraw/zinc/14/93/65/529149365.db2.gz MQJQYUNNHNQFDX-QFBILLFUSA-N 1 3 316.493 2.234 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)c1ccco1 ZINC000418160987 529182967 /nfs/dbraw/zinc/18/29/67/529182967.db2.gz DWGAAOLYCVBAIO-BYNSBNAKSA-N 1 3 322.453 2.149 20 0 DEADHO CCN1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000358234063 535526799 /nfs/dbraw/zinc/52/67/99/535526799.db2.gz PIZBLMKIMPMTAJ-GJZGRUSLSA-N 1 3 324.490 2.473 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC[C@H](O)COC(C)C ZINC000348321090 535577700 /nfs/dbraw/zinc/57/77/00/535577700.db2.gz RXLRKHWFFSXXEB-ULQDDVLXSA-N 1 3 300.487 2.263 20 0 DEADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COC(C)C ZINC000348321090 535577703 /nfs/dbraw/zinc/57/77/03/535577703.db2.gz RXLRKHWFFSXXEB-ULQDDVLXSA-N 1 3 300.487 2.263 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1c(C)noc1C ZINC000349073841 535594585 /nfs/dbraw/zinc/59/45/85/535594585.db2.gz LNFXAPQOCCUNEX-INIZCTEOSA-N 1 3 308.470 2.139 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1c(C)noc1C ZINC000349073841 535594592 /nfs/dbraw/zinc/59/45/92/535594592.db2.gz LNFXAPQOCCUNEX-INIZCTEOSA-N 1 3 308.470 2.139 20 0 DEADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](N)CC(F)F)cc1 ZINC000319159136 535605806 /nfs/dbraw/zinc/60/58/06/535605806.db2.gz FKHNWKVIZIDLAJ-CQSZACIVSA-N 1 3 313.392 2.127 20 0 DEADHO CN(C)CCOc1cccc(NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000261870826 535910837 /nfs/dbraw/zinc/91/08/37/535910837.db2.gz LJNLVPUINUCEBJ-YOEHRIQHSA-N 1 3 319.449 2.473 20 0 DEADHO CN(C)Cc1ccccc1CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000262396863 536047619 /nfs/dbraw/zinc/04/76/19/536047619.db2.gz BZOZAVYYDHVQQW-YOEHRIQHSA-N 1 3 303.450 2.272 20 0 DEADHO COc1cccc2c(C[NH2+]C[C@H](O)CN3CCCC3)cccc12 ZINC000449095542 536932364 /nfs/dbraw/zinc/93/23/64/536932364.db2.gz ZHBCWMUKHWPAMG-INIZCTEOSA-N 1 3 314.429 2.395 20 0 DEADHO CC(C)[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CC[C@@H](C)F ZINC001378974333 1152514771 /nfs/dbraw/zinc/51/47/71/1152514771.db2.gz ZBXFGNMXVTXIAG-CABCVRRESA-N 1 3 315.477 2.339 20 0 DEADHO C[C@@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001379098585 1152567466 /nfs/dbraw/zinc/56/74/66/1152567466.db2.gz NLLVODZGYXQEFM-SJORKVTESA-N 1 3 317.477 2.480 20 0 DEADHO C[C@@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001379098585 1152567468 /nfs/dbraw/zinc/56/74/68/1152567468.db2.gz NLLVODZGYXQEFM-SJORKVTESA-N 1 3 317.477 2.480 20 0 DEADHO Cc1ccccc1C[NH2+][C@H](C)CN(C)C(=O)CN(C)C1CCC1 ZINC001379151389 1152582304 /nfs/dbraw/zinc/58/23/04/1152582304.db2.gz UMCZPSNOZZGLHP-MRXNPFEDSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)NC(=O)CN2CC[C@H](C)C2)c(C)c1 ZINC001379550393 1152640896 /nfs/dbraw/zinc/64/08/96/1152640896.db2.gz IQYAQTCYDGYISW-RDJZCZTQSA-N 1 3 317.477 2.240 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCC2CCCC2)[C@@H]1C ZINC001379560187 1152642947 /nfs/dbraw/zinc/64/29/47/1152642947.db2.gz BYOBTHBZEMPQCU-DOTOQJQBSA-N 1 3 309.498 2.486 20 0 DEADHO CC[NH+]1CCC(CC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821240248 599448964 /nfs/dbraw/zinc/44/89/64/599448964.db2.gz FWKRUOGGTMXRRX-UHFFFAOYSA-N 1 3 314.437 2.078 20 0 DEADHO CC[NH+]1CCC(CC[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821240248 599448966 /nfs/dbraw/zinc/44/89/66/599448966.db2.gz FWKRUOGGTMXRRX-UHFFFAOYSA-N 1 3 314.437 2.078 20 0 DEADHO CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736531231 599567324 /nfs/dbraw/zinc/56/73/24/599567324.db2.gz UWZKBOHHDVOLTR-CQSZACIVSA-N 1 3 316.453 2.467 20 0 DEADHO CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736531231 599567327 /nfs/dbraw/zinc/56/73/27/599567327.db2.gz UWZKBOHHDVOLTR-CQSZACIVSA-N 1 3 316.453 2.467 20 0 DEADHO CC[C@H](C(=O)NC1CC(C[NH2+]Cc2ccc(C)cc2)C1)N(C)C ZINC001368823190 1148692174 /nfs/dbraw/zinc/69/21/74/1148692174.db2.gz RFEANOSHXMOGRF-DAWZGUTISA-N 1 3 317.477 2.320 20 0 DEADHO C[C@H](CC[NH+](C)C)C(=O)N(CCN(C)C)Cc1ccccc1 ZINC001361707800 1152719836 /nfs/dbraw/zinc/71/98/36/1152719836.db2.gz QJRWXALKBUMDQN-MRXNPFEDSA-N 1 3 305.466 2.165 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](CCF)C1CCCCCC1)N(C)C ZINC001380179501 1152763037 /nfs/dbraw/zinc/76/30/37/1152763037.db2.gz QADQMPLLIOVNPL-MRXNPFEDSA-N 1 3 315.477 2.437 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](CCF)C1CCCCCC1)N(C)C ZINC001380179501 1152763039 /nfs/dbraw/zinc/76/30/39/1152763039.db2.gz QADQMPLLIOVNPL-MRXNPFEDSA-N 1 3 315.477 2.437 20 0 DEADHO CN(C)CCN(Cc1ccccc1)C(=O)CC[NH2+]C(C)(C)C ZINC000309637199 625305397 /nfs/dbraw/zinc/30/53/97/625305397.db2.gz NDOHLDGMLDEPAG-UHFFFAOYSA-N 1 3 305.466 2.355 20 0 DEADHO [NH3+][C@@H]1C[C@H](N[C@@H]2CCN(c3ccc(F)cc3F)C2)C12CCC2 ZINC000925559403 625364217 /nfs/dbraw/zinc/36/42/17/625364217.db2.gz XUWVEKOPFGMCPS-WQVCFCJDSA-N 1 3 307.388 2.403 20 0 DEADHO COc1ccc(CCNC(=[NH2+])NCCN2CCC[C@@H](C)C2)cc1 ZINC000066243432 622738873 /nfs/dbraw/zinc/73/88/73/622738873.db2.gz XBTVPZSMNOEXPU-OAHLLOKOSA-N 1 3 318.465 2.084 20 0 DEADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)c1ccc(F)cc1 ZINC000969588987 622833785 /nfs/dbraw/zinc/83/37/85/622833785.db2.gz VAUHQKQZKKPSBK-IAOVAPTHSA-N 1 3 319.424 2.171 20 0 DEADHO CC(C)=CCN1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000969650645 622865665 /nfs/dbraw/zinc/86/56/65/622865665.db2.gz SSBGIXDCDVNPIP-RDJZCZTQSA-N 1 3 307.482 2.262 20 0 DEADHO CC(C)=CCN1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000969650645 622865667 /nfs/dbraw/zinc/86/56/67/622865667.db2.gz SSBGIXDCDVNPIP-RDJZCZTQSA-N 1 3 307.482 2.262 20 0 DEADHO CC(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC000969655642 622868769 /nfs/dbraw/zinc/86/87/69/622868769.db2.gz ZIBUDLMBEXCNSY-DOTOQJQBSA-N 1 3 309.498 2.342 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC000969949240 623015842 /nfs/dbraw/zinc/01/58/42/623015842.db2.gz PDZZBKYAVKYYRV-DOTOQJQBSA-N 1 3 319.493 2.242 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000969954424 623017798 /nfs/dbraw/zinc/01/77/98/623017798.db2.gz CTSXWTVFNOIZSO-MAUKXSAKSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC000970105681 623129322 /nfs/dbraw/zinc/12/93/22/623129322.db2.gz QXQHGVOOTWQKNL-GDBMZVCRSA-N 1 3 312.417 2.212 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001020981194 623235631 /nfs/dbraw/zinc/23/56/31/623235631.db2.gz ARBREUTXVMJGSD-DAXOMENPSA-N 1 3 312.417 2.259 20 0 DEADHO CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021670775 623930738 /nfs/dbraw/zinc/93/07/38/623930738.db2.gz OMGFZKIJTXUHKQ-CVEARBPZSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021670775 623930745 /nfs/dbraw/zinc/93/07/45/623930745.db2.gz OMGFZKIJTXUHKQ-CVEARBPZSA-N 1 3 307.482 2.051 20 0 DEADHO CCC1([NH3+])CCN(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000891412713 624154390 /nfs/dbraw/zinc/15/43/90/624154390.db2.gz PTNHSWNCFJGDEQ-UHFFFAOYSA-N 1 3 318.465 2.031 20 0 DEADHO CN(CC(=O)N1CC[C@@H]([N@H+](C)CC2CC(C)(C)C2)C1)C1CCC1 ZINC000971687958 624505181 /nfs/dbraw/zinc/50/51/81/624505181.db2.gz QYNLEBIFZUBXGW-QGZVFWFLSA-N 1 3 321.509 2.440 20 0 DEADHO CN(CC(=O)N1CC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C1)C1CCC1 ZINC000971687958 624505183 /nfs/dbraw/zinc/50/51/83/624505183.db2.gz QYNLEBIFZUBXGW-QGZVFWFLSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)C1CC[NH+](C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000891664298 624521557 /nfs/dbraw/zinc/52/15/57/624521557.db2.gz CAEJBDGNBHKJRO-OKILXGFUSA-N 1 3 311.470 2.316 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CCC3CCCC3)C2)C1 ZINC000972336245 624932908 /nfs/dbraw/zinc/93/29/08/624932908.db2.gz VDHCKRDACFENLD-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CCC3CCCC3)C2)C1 ZINC000972336245 624932909 /nfs/dbraw/zinc/93/29/09/624932909.db2.gz VDHCKRDACFENLD-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000892286860 624939702 /nfs/dbraw/zinc/93/97/02/624939702.db2.gz TTWYFZUKKWSNPC-TWMKSMIVSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000892286860 624939703 /nfs/dbraw/zinc/93/97/03/624939703.db2.gz TTWYFZUKKWSNPC-TWMKSMIVSA-N 1 3 324.513 2.088 20 0 DEADHO CCn1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c(C)n1 ZINC000893037507 625070114 /nfs/dbraw/zinc/07/01/14/625070114.db2.gz HPGYSNFROVVZKD-GASCZTMLSA-N 1 3 308.470 2.190 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]Cc2cn(C)nc2C2CC2)C[C@@H](C)O1 ZINC000893037529 625070440 /nfs/dbraw/zinc/07/04/40/625070440.db2.gz IEMOCRAHUVWGGG-HUUCEWRRSA-N 1 3 320.481 2.277 20 0 DEADHO CN(C(=O)NCCCCC[NH+]1CCCCC1)[C@H]1CCCN(C)C1 ZINC000893103049 625115744 /nfs/dbraw/zinc/11/57/44/625115744.db2.gz AUTHVRDBJGOROM-KRWDZBQOSA-N 1 3 324.513 2.378 20 0 DEADHO CN(C(=O)NCCCCC[NH+]1CCCCC1)[C@@H]1CCCN(C)C1 ZINC000893103050 625115761 /nfs/dbraw/zinc/11/57/61/625115761.db2.gz AUTHVRDBJGOROM-QGZVFWFLSA-N 1 3 324.513 2.378 20 0 DEADHO CC1(C)[C@H]([NH2+]CCCOCC2CCOCC2)[C@@H]2CCCN[C@@H]21 ZINC000925511844 625145125 /nfs/dbraw/zinc/14/51/25/625145125.db2.gz VJGVWIOAKFRIOX-IXDOHACOSA-N 1 3 310.482 2.186 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC001026148595 625155844 /nfs/dbraw/zinc/15/58/44/625155844.db2.gz RLOWGAVTMAILAB-JLOCXQCDSA-N 1 3 321.509 2.342 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001026148595 625155846 /nfs/dbraw/zinc/15/58/46/625155846.db2.gz RLOWGAVTMAILAB-JLOCXQCDSA-N 1 3 321.509 2.342 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1 ZINC001023125005 625163789 /nfs/dbraw/zinc/16/37/89/625163789.db2.gz MSSBWDLPRVYMMV-MDBPOYHNSA-N 1 3 307.482 2.286 20 0 DEADHO CC(C)(C)N1CCC([NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000892633041 625208896 /nfs/dbraw/zinc/20/88/96/625208896.db2.gz QMVVDQATNPJWHN-HUUCEWRRSA-N 1 3 314.445 2.473 20 0 DEADHO CCC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC001026267851 625240338 /nfs/dbraw/zinc/24/03/38/625240338.db2.gz RGZBBMGOJGOOTM-GVDBMIGSSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000999150629 634495325 /nfs/dbraw/zinc/49/53/25/634495325.db2.gz BSADRGJPPTVOQX-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+]Cc3ccsc3)C2)CCC1 ZINC000999350891 634570086 /nfs/dbraw/zinc/57/00/86/634570086.db2.gz CIEFXDGTAYTJRV-HNNXBMFYSA-N 1 3 321.490 2.313 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)C2CC([NH2+]CCC3CCCC3)C2)C1 ZINC000999408397 634586368 /nfs/dbraw/zinc/58/63/68/634586368.db2.gz KCJDAVSBHRCJMI-ZLPCBKJTSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]Cc2ccc(F)cc2)C1 ZINC000999834834 634691827 /nfs/dbraw/zinc/69/18/27/634691827.db2.gz XFLGSQOSFOSHQI-UHFFFAOYSA-N 1 3 319.424 2.001 20 0 DEADHO CC[NH+](CC)CCOCCNCc1cc(O)cc(Cl)c1 ZINC000893563917 634728893 /nfs/dbraw/zinc/72/88/93/634728893.db2.gz VNBIEJFJIPRSFI-UHFFFAOYSA-N 1 3 300.830 2.494 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccsc2)C1)N(C)C ZINC001000109463 634749324 /nfs/dbraw/zinc/74/93/24/634749324.db2.gz CRISCPROSMUXRS-JKSUJKDBSA-N 1 3 323.506 2.415 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CC3CCCC3)C2)C1 ZINC001000189202 634783433 /nfs/dbraw/zinc/78/34/33/634783433.db2.gz DESIZRNQGVKEOT-NVXWUHKLSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001000190729 634783827 /nfs/dbraw/zinc/78/38/27/634783827.db2.gz HKVFFFOMLWCRPE-GOEBONIOSA-N 1 3 321.490 2.313 20 0 DEADHO O[C@@H](CN1CC[C@H](Cc2ccc(F)cc2)C1)C[NH+]1CCCC1 ZINC000736945058 634792782 /nfs/dbraw/zinc/79/27/82/634792782.db2.gz AUHMNROENYFNRE-SJLPKXTDSA-N 1 3 306.425 2.147 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ccccc2)C(C)(C)C1)N(C)C ZINC000996315664 633235071 /nfs/dbraw/zinc/23/50/71/633235071.db2.gz RVCDXIHUZNAUEG-DLBZAZTESA-N 1 3 317.477 2.353 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ccsc2)C(C)(C)C1)N(C)C ZINC000996315955 633235127 /nfs/dbraw/zinc/23/51/27/633235127.db2.gz VLVHKTZCGUQFOQ-LSDHHAIUSA-N 1 3 323.506 2.415 20 0 DEADHO CN(CC(=O)N1CC[C@@H](C[NH2+]Cc2ccsc2)C1)C1CCC1 ZINC001026888922 633242352 /nfs/dbraw/zinc/24/23/52/633242352.db2.gz PBOCHOZCSMLKPB-AWEZNQCLSA-N 1 3 321.490 2.171 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC([NH2+]Cc2ccsc2)CC1)N(C)C ZINC000996966177 633542136 /nfs/dbraw/zinc/54/21/36/633542136.db2.gz QWUTVCYZRVUUIL-MRXNPFEDSA-N 1 3 323.506 2.415 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC000996996913 633559051 /nfs/dbraw/zinc/55/90/51/633559051.db2.gz AOWVZLHKTLJUQH-INIZCTEOSA-N 1 3 315.461 2.109 20 0 DEADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2cccc(C)c2)CC1)N(C)C ZINC000997008722 633560977 /nfs/dbraw/zinc/56/09/77/633560977.db2.gz FHANNRGFMHMPRI-SFHVURJKSA-N 1 3 317.477 2.416 20 0 DEADHO CC(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001027407179 633744713 /nfs/dbraw/zinc/74/47/13/633744713.db2.gz BBRVSNARCQYIGM-IRXDYDNUSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001027407179 633744715 /nfs/dbraw/zinc/74/47/15/633744715.db2.gz BBRVSNARCQYIGM-IRXDYDNUSA-N 1 3 309.498 2.438 20 0 DEADHO CC[C@@H](C(=O)N1CCC(C[NH2+]CC2CCCC2)CC1)N(C)C ZINC000998086828 634133966 /nfs/dbraw/zinc/13/39/66/634133966.db2.gz UJNLMSBJOMDAKV-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([N@H+](C)CC3CCC3)C2)C1 ZINC001027576348 634183783 /nfs/dbraw/zinc/18/37/83/634183783.db2.gz NHWGXPRMOXFYCU-WBVHZDCISA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([N@@H+](C)CC3CCC3)C2)C1 ZINC001027576348 634183787 /nfs/dbraw/zinc/18/37/87/634183787.db2.gz NHWGXPRMOXFYCU-WBVHZDCISA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027577391 634185796 /nfs/dbraw/zinc/18/57/96/634185796.db2.gz LESWNOWDIIZWMN-PBHICJAKSA-N 1 3 313.461 2.142 20 0 DEADHO CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027577391 634185798 /nfs/dbraw/zinc/18/57/98/634185798.db2.gz LESWNOWDIIZWMN-PBHICJAKSA-N 1 3 313.461 2.142 20 0 DEADHO C[N@H+](CCC1CC1)[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027577948 634189035 /nfs/dbraw/zinc/18/90/35/634189035.db2.gz YFGVUHPKQWKOAH-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO C[N@@H+](CCC1CC1)[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027577948 634189037 /nfs/dbraw/zinc/18/90/37/634189037.db2.gz YFGVUHPKQWKOAH-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO C[N@H+](CC1CCCCC1)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594829 634238812 /nfs/dbraw/zinc/23/88/12/634238812.db2.gz PHSRNBVFRFPYGL-KRWDZBQOSA-N 1 3 318.465 2.455 20 0 DEADHO C[N@@H+](CC1CCCCC1)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594829 634238814 /nfs/dbraw/zinc/23/88/14/634238814.db2.gz PHSRNBVFRFPYGL-KRWDZBQOSA-N 1 3 318.465 2.455 20 0 DEADHO C[N@H+](CCC1CCCC1)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594930 634238856 /nfs/dbraw/zinc/23/88/56/634238856.db2.gz QYXXPCJGQKGJDW-KRWDZBQOSA-N 1 3 318.465 2.455 20 0 DEADHO C[N@@H+](CCC1CCCC1)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594930 634238862 /nfs/dbraw/zinc/23/88/62/634238862.db2.gz QYXXPCJGQKGJDW-KRWDZBQOSA-N 1 3 318.465 2.455 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC1CC1 ZINC001027918685 634964962 /nfs/dbraw/zinc/96/49/62/634964962.db2.gz PEWFPGQHTWKWBU-IAGOWNOFSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1CC1 ZINC001027918685 634964965 /nfs/dbraw/zinc/96/49/65/634964965.db2.gz PEWFPGQHTWKWBU-IAGOWNOFSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CC1 ZINC001027918683 634964976 /nfs/dbraw/zinc/96/49/76/634964976.db2.gz PEWFPGQHTWKWBU-DLBZAZTESA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1CC1 ZINC001027918683 634964977 /nfs/dbraw/zinc/96/49/77/634964977.db2.gz PEWFPGQHTWKWBU-DLBZAZTESA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC000980478374 635016325 /nfs/dbraw/zinc/01/63/25/635016325.db2.gz OTKJNUAKWWIMTF-MRXNPFEDSA-N 1 3 303.450 2.303 20 0 DEADHO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC000980478374 635016329 /nfs/dbraw/zinc/01/63/29/635016329.db2.gz OTKJNUAKWWIMTF-MRXNPFEDSA-N 1 3 303.450 2.303 20 0 DEADHO CCC[NH2+][C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001000989685 635383556 /nfs/dbraw/zinc/38/35/56/635383556.db2.gz YQHSWIFPCCKZLR-KRWDZBQOSA-N 1 3 303.450 2.352 20 0 DEADHO CCCCN1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000981438179 635483155 /nfs/dbraw/zinc/48/31/55/635483155.db2.gz KXIQHXXTEIGSJE-DLBZAZTESA-N 1 3 307.482 2.338 20 0 DEADHO CCCCN1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000981438179 635483158 /nfs/dbraw/zinc/48/31/58/635483158.db2.gz KXIQHXXTEIGSJE-DLBZAZTESA-N 1 3 307.482 2.338 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC1=CC[N@H+](CC2CCC2)CC1 ZINC001001471150 635503109 /nfs/dbraw/zinc/50/31/09/635503109.db2.gz FMYKIJZZIGCJGU-GOSISDBHSA-N 1 3 319.493 2.409 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC1=CC[N@@H+](CC2CCC2)CC1 ZINC001001471150 635503116 /nfs/dbraw/zinc/50/31/16/635503116.db2.gz FMYKIJZZIGCJGU-GOSISDBHSA-N 1 3 319.493 2.409 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCCN(C(=O)[C@@H](C2CC2)N2CCCC2)CC1 ZINC000981682271 635592544 /nfs/dbraw/zinc/59/25/44/635592544.db2.gz KIHMTAXEUNVNQP-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C)C[N@H+]1CCCN(C(=O)[C@@H](C2CC2)N2CCCC2)CC1 ZINC000981682271 635592548 /nfs/dbraw/zinc/59/25/48/635592548.db2.gz KIHMTAXEUNVNQP-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CCC[N@H+](CC1CCC1)C2)N(C)C ZINC000981841570 635685502 /nfs/dbraw/zinc/68/55/02/635685502.db2.gz GOHPUUVCNSPJQR-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CCC[N@@H+](CC1CCC1)C2)N(C)C ZINC000981841570 635685505 /nfs/dbraw/zinc/68/55/05/635685505.db2.gz GOHPUUVCNSPJQR-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CCCN1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000981963545 635773871 /nfs/dbraw/zinc/77/38/71/635773871.db2.gz FFQGVWGSHHVGJF-UHFFFAOYSA-N 1 3 317.477 2.349 20 0 DEADHO CC[C@H](C)C[NH+]1CCC(NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001002793598 635799688 /nfs/dbraw/zinc/79/96/88/635799688.db2.gz XFXUZDYZMCLPJX-DOTOQJQBSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000929263730 635871366 /nfs/dbraw/zinc/87/13/66/635871366.db2.gz OGHKQTFFZXZSDI-IAGOWNOFSA-N 1 3 303.450 2.278 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000929263730 635871374 /nfs/dbraw/zinc/87/13/74/635871374.db2.gz OGHKQTFFZXZSDI-IAGOWNOFSA-N 1 3 303.450 2.278 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NC1CC[NH+](CCC(C)(C)C)CC1 ZINC001003627071 636007576 /nfs/dbraw/zinc/00/75/76/636007576.db2.gz BXDKYCOFUURXTQ-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO C[NH+]1CCC2(CCCN2[C@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000893854555 636048018 /nfs/dbraw/zinc/04/80/18/636048018.db2.gz BLDKDUUQPPRZMB-GJZGRUSLSA-N 1 3 312.429 2.180 20 0 DEADHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1ccnn1C(C)C)C2 ZINC000922387752 636142155 /nfs/dbraw/zinc/14/21/55/636142155.db2.gz APQHSLYHDLBNKK-TVFCKZIOSA-N 1 3 320.481 2.033 20 0 DEADHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1ccnn1C(C)C)C2 ZINC000922387752 636142157 /nfs/dbraw/zinc/14/21/57/636142157.db2.gz APQHSLYHDLBNKK-TVFCKZIOSA-N 1 3 320.481 2.033 20 0 DEADHO CC(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC000982520863 636216191 /nfs/dbraw/zinc/21/61/91/636216191.db2.gz XQUWNPXXRCLGBU-QRQLOZEOSA-N 1 3 323.525 2.399 20 0 DEADHO CC(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC000982520863 636216194 /nfs/dbraw/zinc/21/61/94/636216194.db2.gz XQUWNPXXRCLGBU-QRQLOZEOSA-N 1 3 323.525 2.399 20 0 DEADHO CCO[C@H](C[NH2+]C1CCN(Cc2ccccc2)CC1)CN(C)C ZINC000922761221 636374962 /nfs/dbraw/zinc/37/49/62/636374962.db2.gz PTSMISGYRHGVKU-LJQANCHMSA-N 1 3 319.493 2.207 20 0 DEADHO COc1c(CNC2CCC(C)([NH+]3CCC3)CC2)c(C)nn1C ZINC000922848797 636440037 /nfs/dbraw/zinc/44/00/37/636440037.db2.gz XVWRYPPAKWRDNI-UHFFFAOYSA-N 1 3 306.454 2.234 20 0 DEADHO CCn1nc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CCOC)c1C ZINC000924920894 636550480 /nfs/dbraw/zinc/55/04/80/636550480.db2.gz RFUHBHXAZDJDMI-ALOPSCKCSA-N 1 3 320.481 2.251 20 0 DEADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000261826667 636563974 /nfs/dbraw/zinc/56/39/74/636563974.db2.gz NXFASFQBJJNWFX-ZBFHGGJFSA-N 1 3 301.434 2.092 20 0 DEADHO COC(=O)c1[nH]c2ccccc2c1C[NH2+]C[C@@H]1CCCN(C)C1 ZINC000894253484 636573649 /nfs/dbraw/zinc/57/36/49/636573649.db2.gz CQFXEZRLELWXMQ-ZDUSSCGKSA-N 1 3 315.417 2.386 20 0 DEADHO COCCCC1(C[NH2+]CCN2CCN(C)C(C)(C)C2)CCC1 ZINC000894255490 636579017 /nfs/dbraw/zinc/57/90/17/636579017.db2.gz ZTCDVRKVXBHJQC-UHFFFAOYSA-N 1 3 311.514 2.199 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@H+](CCCF)C1 ZINC001029005179 636947372 /nfs/dbraw/zinc/94/73/72/636947372.db2.gz YLQVCXCZKRYXJK-HNNXBMFYSA-N 1 3 321.440 2.160 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@@H+](CCCF)C1 ZINC001029005179 636947373 /nfs/dbraw/zinc/94/73/73/636947373.db2.gz YLQVCXCZKRYXJK-HNNXBMFYSA-N 1 3 321.440 2.160 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N2CCCN(CCCF)CC2)CC1 ZINC000983492290 636965746 /nfs/dbraw/zinc/96/57/46/636965746.db2.gz KPNCKTDMRAFARW-UHFFFAOYSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC001005991478 637045851 /nfs/dbraw/zinc/04/58/51/637045851.db2.gz MUKPFFUCMLZDQF-CVEARBPZSA-N 1 3 309.498 2.297 20 0 DEADHO CCN(C[C@H](O)COc1ccccc1F)[C@H]1CCC[NH2+]CC1 ZINC000923337162 637123319 /nfs/dbraw/zinc/12/33/19/637123319.db2.gz XNRFWRONIKJROT-GJZGRUSLSA-N 1 3 310.413 2.029 20 0 DEADHO Cc1ccc(OC[C@@H](O)CN2CCCC[C@@H]2CC[NH3+])c(C)c1 ZINC000923353942 637134633 /nfs/dbraw/zinc/13/46/33/637134633.db2.gz OMYDXPJVSFXAOW-SJORKVTESA-N 1 3 306.450 2.246 20 0 DEADHO Cc1cc(C)cc(OC[C@@H](O)CN2CCCC[C@H]2CC[NH3+])c1 ZINC000923354130 637135120 /nfs/dbraw/zinc/13/51/20/637135120.db2.gz QNSUQNFOHSRRIK-IRXDYDNUSA-N 1 3 306.450 2.246 20 0 DEADHO Cc1ccc(OC[C@@H](O)CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(C)c1 ZINC000923385412 637154435 /nfs/dbraw/zinc/15/44/35/637154435.db2.gz AURCMGWXKVQKGS-LNLFQRSKSA-N 1 3 318.461 2.104 20 0 DEADHO CCCC[C@@H](C(=O)Nc1cc(C)on1)N1CC[C@H](CC[NH3+])C1 ZINC000923486596 637200767 /nfs/dbraw/zinc/20/07/67/637200767.db2.gz ICSUWVYVLXCNIE-KBPBESRZSA-N 1 3 308.426 2.151 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCC2)C1 ZINC000983662627 637210775 /nfs/dbraw/zinc/21/07/75/637210775.db2.gz SRTOLHXDEMYQKI-ULQDDVLXSA-N 1 3 307.482 2.144 20 0 DEADHO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923497663 637213786 /nfs/dbraw/zinc/21/37/86/637213786.db2.gz IJKZLBCTHQSUDK-LTIDMASMSA-N 1 3 317.477 2.477 20 0 DEADHO CC(C)[C@H](NC(=O)CN1CC[C@H](C[NH3+])[C@@H](C)C1)c1ccccc1 ZINC000923501557 637218460 /nfs/dbraw/zinc/21/84/60/637218460.db2.gz TUSYFARDOCJABM-WDYCEAGBSA-N 1 3 317.477 2.417 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923504365 637219960 /nfs/dbraw/zinc/21/99/60/637219960.db2.gz QUNDLTOAXPHWBL-XXJXLTMMSA-N 1 3 309.498 2.233 20 0 DEADHO c1ccc2c(c1)[C@H](C[C@@H]1COCCN1)CN2CCC[NH2+]C1CC1 ZINC000923546470 637239977 /nfs/dbraw/zinc/23/99/77/637239977.db2.gz VEMKOZPXOJEFGD-NVXWUHKLSA-N 1 3 315.461 2.111 20 0 DEADHO c1ccc2c(c1)[C@@H](C[C@@H]1COCCN1)CN2CCC[NH2+]C1CC1 ZINC000923546467 637240172 /nfs/dbraw/zinc/24/01/72/637240172.db2.gz VEMKOZPXOJEFGD-DOTOQJQBSA-N 1 3 315.461 2.111 20 0 DEADHO c1ccc([C@@H]2C[C@@H](NC[C@H]3COCO3)CC[N@@H+]2C2CC2)cc1 ZINC000894890017 637297120 /nfs/dbraw/zinc/29/71/20/637297120.db2.gz QKSPCEVDPKKWAN-SZMVWBNQSA-N 1 3 302.418 2.317 20 0 DEADHO c1ccc([C@@H]2C[C@@H](NC[C@H]3COCO3)CC[N@H+]2C2CC2)cc1 ZINC000894890017 637297122 /nfs/dbraw/zinc/29/71/22/637297122.db2.gz QKSPCEVDPKKWAN-SZMVWBNQSA-N 1 3 302.418 2.317 20 0 DEADHO CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)N1CCCCC1 ZINC001029308541 637584901 /nfs/dbraw/zinc/58/49/01/637584901.db2.gz IYTKUYOQIITXAL-CALCHBBNSA-N 1 3 319.493 2.336 20 0 DEADHO CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)N1CCCCC1 ZINC001029308541 637584909 /nfs/dbraw/zinc/58/49/09/637584909.db2.gz IYTKUYOQIITXAL-CALCHBBNSA-N 1 3 319.493 2.336 20 0 DEADHO C[C@H](CC[NH2+]Cc1ccc(Cl)cc1-n1cncn1)N(C)C ZINC000895293456 637897403 /nfs/dbraw/zinc/89/74/03/637897403.db2.gz LYJCLJJIJPNUND-GFCCVEGCSA-N 1 3 307.829 2.351 20 0 DEADHO CC(C)(C)N1CC[C@H]1CNC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000895628069 638121823 /nfs/dbraw/zinc/12/18/23/638121823.db2.gz WGOUGJVVJBEWEM-INIZCTEOSA-N 1 3 322.497 2.175 20 0 DEADHO CCO[C@H](CNc1ccnc2ccc(OC)cc21)C[NH+](C)C ZINC000896108983 638365938 /nfs/dbraw/zinc/36/59/38/638365938.db2.gz JMVJVIMKHBDRRN-CQSZACIVSA-N 1 3 303.406 2.044 20 0 DEADHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@H](O)c2ccc(F)cc2)C1 ZINC000746676424 638367856 /nfs/dbraw/zinc/36/78/56/638367856.db2.gz VRAXNRPIOGOPTJ-MSOLQXFVSA-N 1 3 324.440 2.292 20 0 DEADHO C[C@@H]1CNCC[C@@H]1[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000841063422 650419670 /nfs/dbraw/zinc/41/96/70/650419670.db2.gz JBLPAFMYWPUZEF-BEFAXECRSA-N 1 3 316.493 2.309 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@H](N[C@H]2CCCC[NH2+]C2)C1 ZINC000841091375 650428582 /nfs/dbraw/zinc/42/85/82/650428582.db2.gz WNDGUPKIRSVOQH-AGIUHOORSA-N 1 3 304.381 2.085 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2)C1 ZINC000984798571 638693000 /nfs/dbraw/zinc/69/30/00/638693000.db2.gz AAQFHDGTJWVQMX-SZMVWBNQSA-N 1 3 315.461 2.155 20 0 DEADHO CN1CCCN(C(=O)NC2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000751112986 639060005 /nfs/dbraw/zinc/06/00/05/639060005.db2.gz PQOAJCLFIQBXCA-UHFFFAOYSA-N 1 3 322.497 2.131 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CC2=CCCCC2)C1 ZINC001029583163 639321404 /nfs/dbraw/zinc/32/14/04/639321404.db2.gz OALFYSJALVJYSD-KURKYZTESA-N 1 3 317.477 2.114 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CC2=CCCCC2)C1 ZINC001029583163 639321408 /nfs/dbraw/zinc/32/14/08/639321408.db2.gz OALFYSJALVJYSD-KURKYZTESA-N 1 3 317.477 2.114 20 0 DEADHO CC(C)C[N@H+](C)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000985648129 639561099 /nfs/dbraw/zinc/56/10/99/639561099.db2.gz VKOMRZGIUGHAJN-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[N@@H+](C)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000985648129 639561100 /nfs/dbraw/zinc/56/11/00/639561100.db2.gz VKOMRZGIUGHAJN-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1cccc2c1OCO2 ZINC000925215534 639603045 /nfs/dbraw/zinc/60/30/45/639603045.db2.gz NYHWAAFQBFPDSO-CQSZACIVSA-N 1 3 319.449 2.092 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)CC2CCCC2)CC1 ZINC001029944048 639920542 /nfs/dbraw/zinc/92/05/42/639920542.db2.gz CMTNLCGNEDRBKS-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CC2CCCC2)CC1 ZINC001029944048 639920557 /nfs/dbraw/zinc/92/05/57/639920557.db2.gz CMTNLCGNEDRBKS-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C)cc1 ZINC000987520874 640212519 /nfs/dbraw/zinc/21/25/19/640212519.db2.gz UAOQJTTWMPTVOT-AEFFLSMTSA-N 1 3 315.461 2.170 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CC2=CCCCC2)CN1C(=O)Cc1c[nH]cn1 ZINC000989493049 641123747 /nfs/dbraw/zinc/12/37/47/641123747.db2.gz QTBITNJHMJWHQB-BBRMVZONSA-N 1 3 302.422 2.032 20 0 DEADHO C[NH+](C)Cc1ccccc1C(=O)N1CCCN(CCCF)CC1 ZINC000989737491 641215659 /nfs/dbraw/zinc/21/56/59/641215659.db2.gz QWFMAUWXNQMYOI-UHFFFAOYSA-N 1 3 321.440 2.256 20 0 DEADHO CC(C)[C@H](C(=O)N1CCCN(CC2CC2)CC1)[NH+]1CCCC1 ZINC000989739379 641216279 /nfs/dbraw/zinc/21/62/79/641216279.db2.gz ULAQWCAATRBYNM-QGZVFWFLSA-N 1 3 307.482 2.051 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cnn(C3CCC3)c2)CC1 ZINC000924670220 641565762 /nfs/dbraw/zinc/56/57/62/641565762.db2.gz LWGSDGRYXTUUTM-HOTGVXAUSA-N 1 3 319.497 2.285 20 0 DEADHO C[NH+]1CCC(ONC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000773552767 641796915 /nfs/dbraw/zinc/79/69/15/641796915.db2.gz TUAGQKIRWPVKOE-UHFFFAOYSA-N 1 3 317.433 2.038 20 0 DEADHO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc2ncsc2c1 ZINC000776816834 642210255 /nfs/dbraw/zinc/21/02/55/642210255.db2.gz RQTIIRZZDXJIOL-JSGCOSHPSA-N 1 3 305.447 2.404 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H]1Cc1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000900003668 642232364 /nfs/dbraw/zinc/23/23/64/642232364.db2.gz AAVIPVIOIPQXSM-IUODEOHRSA-N 1 3 300.406 2.196 20 0 DEADHO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000900630024 642428669 /nfs/dbraw/zinc/42/86/69/642428669.db2.gz FTLKECXNCPHECJ-AWEZNQCLSA-N 1 3 314.433 2.362 20 0 DEADHO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000900630024 642428675 /nfs/dbraw/zinc/42/86/75/642428675.db2.gz FTLKECXNCPHECJ-AWEZNQCLSA-N 1 3 314.433 2.362 20 0 DEADHO C[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cnccc1N ZINC000902504029 643054899 /nfs/dbraw/zinc/05/48/99/643054899.db2.gz VLODBUDVDSLRAN-IXDGSTSKSA-N 1 3 324.428 2.401 20 0 DEADHO c1ccn2c(c1)nnc2CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903060484 643234027 /nfs/dbraw/zinc/23/40/27/643234027.db2.gz ZQKVSBAXGMUQJZ-VHRNVKJDSA-N 1 3 311.433 2.019 20 0 DEADHO c1ccn2c(c1)nnc2CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903060484 643234029 /nfs/dbraw/zinc/23/40/29/643234029.db2.gz ZQKVSBAXGMUQJZ-VHRNVKJDSA-N 1 3 311.433 2.019 20 0 DEADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NC2CC(CC(N)=O)C2)CC1 ZINC000903261107 643303766 /nfs/dbraw/zinc/30/37/66/643303766.db2.gz PQGPRYNUPMEDGH-VFNXUKNFSA-N 1 3 307.482 2.273 20 0 DEADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(N3CCNC3=O)cc2)C1 ZINC000786788683 643408656 /nfs/dbraw/zinc/40/86/56/643408656.db2.gz HJYVHFOTGIPHJD-HUUCEWRRSA-N 1 3 316.449 2.209 20 0 DEADHO Cc1nn(C)cc1[C@H]1CCCN1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903740274 643450370 /nfs/dbraw/zinc/45/03/70/643450370.db2.gz FRBAYHBPTYRANZ-DOTOQJQBSA-N 1 3 318.465 2.024 20 0 DEADHO C[C@@H](C1CC1)N(C(=O)CN1CCC(C(C)(C)C[NH3+])CC1)C1CC1 ZINC000903790299 643456102 /nfs/dbraw/zinc/45/61/02/643456102.db2.gz BAAHVFQMTDIPFG-AWEZNQCLSA-N 1 3 321.509 2.473 20 0 DEADHO FCCn1cc(CN2CCC([C@H]3CCC[NH2+]CC3)CC2)cn1 ZINC000903788526 643463905 /nfs/dbraw/zinc/46/39/05/643463905.db2.gz NFBIECZETJBXSV-INIZCTEOSA-N 1 3 308.445 2.454 20 0 DEADHO Cc1ccc(OCC[N@@H+]2CCNCCC23CCOCC3)cc1 ZINC000903815681 643464411 /nfs/dbraw/zinc/46/44/11/643464411.db2.gz PECSSZBSLPCHJG-UHFFFAOYSA-N 1 3 304.434 2.218 20 0 DEADHO Cc1ccc(OCC[N@H+]2CCNCCC23CCOCC3)cc1 ZINC000903815681 643464412 /nfs/dbraw/zinc/46/44/12/643464412.db2.gz PECSSZBSLPCHJG-UHFFFAOYSA-N 1 3 304.434 2.218 20 0 DEADHO CCc1cccc(OCC[N@@H+]2CCNCCC23CCOCC3)c1 ZINC000903815302 643464656 /nfs/dbraw/zinc/46/46/56/643464656.db2.gz LKBBFMQIQPYWGR-UHFFFAOYSA-N 1 3 318.461 2.472 20 0 DEADHO CCc1cccc(OCC[N@H+]2CCNCCC23CCOCC3)c1 ZINC000903815302 643464659 /nfs/dbraw/zinc/46/46/59/643464659.db2.gz LKBBFMQIQPYWGR-UHFFFAOYSA-N 1 3 318.461 2.472 20 0 DEADHO CCSCC[C@@H](C)[N@H+](C)C[C@@H](CN)Cc1cnn(C)c1C ZINC000903899502 643501173 /nfs/dbraw/zinc/50/11/73/643501173.db2.gz SMLJUBLDWXAJPB-UKRRQHHQSA-N 1 3 312.527 2.309 20 0 DEADHO CCSCC[C@@H](C)[N@@H+](C)C[C@@H](CN)Cc1cnn(C)c1C ZINC000903899502 643501175 /nfs/dbraw/zinc/50/11/75/643501175.db2.gz SMLJUBLDWXAJPB-UKRRQHHQSA-N 1 3 312.527 2.309 20 0 DEADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN(CC1CC1)CC1CCC1 ZINC000903915370 643507080 /nfs/dbraw/zinc/50/70/80/643507080.db2.gz BLBRTDFHTFJCMW-INIZCTEOSA-N 1 3 303.454 2.215 20 0 DEADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN(CCC1CC1)CC1CC1 ZINC000903933289 643514403 /nfs/dbraw/zinc/51/44/03/643514403.db2.gz OCACMFVENSGLQS-INIZCTEOSA-N 1 3 303.454 2.215 20 0 DEADHO Cc1c(C[C@@H](C[NH3+])CN2Cc3ccccc3[C@H](C)C2)cnn1C ZINC000903937557 643515390 /nfs/dbraw/zinc/51/53/90/643515390.db2.gz NEIAFAQVCRIPNA-ZBFHGGJFSA-N 1 3 312.461 2.465 20 0 DEADHO CN(C(=O)[C@H]1CCN(C[C@]2(C)CCC[NH2+]C2)C1)c1ccccc1 ZINC000904350993 643643108 /nfs/dbraw/zinc/64/31/08/643643108.db2.gz SYTUIJLUOJGPCC-QFBILLFUSA-N 1 3 315.461 2.361 20 0 DEADHO COc1cccc(CN2CC[C@H](CC[NH3+])C2)c1OC(F)F ZINC000904409822 643660988 /nfs/dbraw/zinc/66/09/88/643660988.db2.gz JEWCJZRIISHGTG-NSHDSACASA-N 1 3 300.349 2.467 20 0 DEADHO CC[NH+](CC)CCNCCC(=O)Nc1ccc(N(C)C)cc1 ZINC000790123270 643818472 /nfs/dbraw/zinc/81/84/72/643818472.db2.gz YKWWJXUZWYQTOK-UHFFFAOYSA-N 1 3 306.454 2.013 20 0 DEADHO CN(CCN1CC[NH2+]CC1)Cc1ccc(SC(F)F)cc1 ZINC000843052422 650878399 /nfs/dbraw/zinc/87/83/99/650878399.db2.gz KPGXPKAWONMKGE-UHFFFAOYSA-N 1 3 315.433 2.338 20 0 DEADHO CC1CCN(CCC[NH2+]C[C@@H](O)CC2(O)CCCCC2)CC1 ZINC000905889794 644073651 /nfs/dbraw/zinc/07/36/51/644073651.db2.gz PDZCIAZJSAFQGT-KRWDZBQOSA-N 1 3 312.498 2.144 20 0 DEADHO CN(C/C=C\Cl)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000796282741 644711638 /nfs/dbraw/zinc/71/16/38/644711638.db2.gz YJCLJOPXUVKVPQ-YVMONPNESA-N 1 3 307.869 2.489 20 0 DEADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(C)(C)N1CCCCC1 ZINC000908153562 644754889 /nfs/dbraw/zinc/75/48/89/644754889.db2.gz ZEEUJYMSBLHERA-CVEARBPZSA-N 1 3 307.482 2.336 20 0 DEADHO CC(C)(C)OC(=O)N1CCC[C@H](CCN2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000801913200 645460671 /nfs/dbraw/zinc/46/06/71/645460671.db2.gz RUZUQJFUHNSKTB-OAGGEKHMSA-N 1 3 323.481 2.175 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806130757 645801120 /nfs/dbraw/zinc/80/11/20/645801120.db2.gz BTXIGLFSZXQGBD-OAHLLOKOSA-N 1 3 322.884 2.340 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000912039690 645914234 /nfs/dbraw/zinc/91/42/34/645914234.db2.gz DNOLOXVTOMONFU-QGZVFWFLSA-N 1 3 318.465 2.032 20 0 DEADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000912048425 645927740 /nfs/dbraw/zinc/92/77/40/645927740.db2.gz QCJRHPJDKBSZCS-AKAXFMLLSA-N 1 3 314.433 2.361 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)N(C)C ZINC000913428717 646350276 /nfs/dbraw/zinc/35/02/76/646350276.db2.gz DKYOSWLUIPWZLX-JQHSSLGASA-N 1 3 317.477 2.211 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)N(C)C ZINC000913428717 646350279 /nfs/dbraw/zinc/35/02/79/646350279.db2.gz DKYOSWLUIPWZLX-JQHSSLGASA-N 1 3 317.477 2.211 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000812387911 646647754 /nfs/dbraw/zinc/64/77/54/646647754.db2.gz UZOHWFDBXIJZAX-PBHICJAKSA-N 1 3 315.477 2.436 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000812387911 646647759 /nfs/dbraw/zinc/64/77/59/646647759.db2.gz UZOHWFDBXIJZAX-PBHICJAKSA-N 1 3 315.477 2.436 20 0 DEADHO CC(C)[N@@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC000992014809 646828643 /nfs/dbraw/zinc/82/86/43/646828643.db2.gz SGCVRFYVYRJANO-ZHALLVOQSA-N 1 3 319.493 2.382 20 0 DEADHO CC(C)[N@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC000992014809 646828649 /nfs/dbraw/zinc/82/86/49/646828649.db2.gz SGCVRFYVYRJANO-ZHALLVOQSA-N 1 3 319.493 2.382 20 0 DEADHO C[C@H]1[C@@H](NC(=O)NCC2([NH+](C)C)CCCCCC2)CCN1C ZINC000913914582 647096767 /nfs/dbraw/zinc/09/67/67/647096767.db2.gz QRWGOSRGJYSBPU-GJZGRUSLSA-N 1 3 310.486 2.033 20 0 DEADHO CC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC000948057405 647127713 /nfs/dbraw/zinc/12/77/13/647127713.db2.gz WBUVIOKJNBGYCB-YOEHRIQHSA-N 1 3 303.450 2.351 20 0 DEADHO CC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC000948057405 647127717 /nfs/dbraw/zinc/12/77/17/647127717.db2.gz WBUVIOKJNBGYCB-YOEHRIQHSA-N 1 3 303.450 2.351 20 0 DEADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)COc1cccc(F)c1 ZINC000817892789 647373407 /nfs/dbraw/zinc/37/34/07/647373407.db2.gz CKLSXHJGIVXPTF-LAVFITLUSA-N 1 3 322.424 2.076 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@H](O)c1cccc(Br)c1 ZINC000817932719 647385846 /nfs/dbraw/zinc/38/58/46/647385846.db2.gz WWSVFQDPISJFTR-YUTCNCBUSA-N 1 3 313.239 2.200 20 0 DEADHO COc1ccc([C@H](C)NC[C@H](C)C[NH3+])cc1Cn1cccn1 ZINC000817962766 647394769 /nfs/dbraw/zinc/39/47/69/647394769.db2.gz OTQWJXJDXSIWOI-KGLIPLIRSA-N 1 3 302.422 2.185 20 0 DEADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NCCC[NH2+]C1CC1 ZINC000817983381 647400880 /nfs/dbraw/zinc/40/08/80/647400880.db2.gz BCHCWJDIYOOEFG-NSHDSACASA-N 1 3 310.829 2.184 20 0 DEADHO CC(C)=CCN1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994252635 647857220 /nfs/dbraw/zinc/85/72/20/647857220.db2.gz MKAPIBKOKWMYKE-HZPDHXFCSA-N 1 3 305.466 2.018 20 0 DEADHO [NH3+][C@@H](CC(=O)NC[C@H](c1cccs1)N1CCCC1)C1CC1 ZINC000825796095 648812566 /nfs/dbraw/zinc/81/25/66/648812566.db2.gz VCHYHVXKQYQNDH-UONOGXRCSA-N 1 3 307.463 2.129 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)C[C@H]([NH3+])C1CC1)c1ccsc1 ZINC000827024026 648961822 /nfs/dbraw/zinc/96/18/22/648961822.db2.gz PLYGGSBFYZBISE-GJZGRUSLSA-N 1 3 309.479 2.375 20 0 DEADHO CC[N@H+](CCC1CCN(CC[S@@](C)=O)CC1)CC(C)C ZINC000828624232 649204099 /nfs/dbraw/zinc/20/40/99/649204099.db2.gz GYPGVNYQPVQCOA-HXUWFJFHSA-N 1 3 302.528 2.445 20 0 DEADHO CC[N@@H+](CCC1CCN(CC[S@@](C)=O)CC1)CC(C)C ZINC000828624232 649204102 /nfs/dbraw/zinc/20/41/02/649204102.db2.gz GYPGVNYQPVQCOA-HXUWFJFHSA-N 1 3 302.528 2.445 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](C)C1 ZINC000942557878 649244275 /nfs/dbraw/zinc/24/42/75/649244275.db2.gz OFQJEXZLHKBXQN-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](C)C1 ZINC000942557878 649244276 /nfs/dbraw/zinc/24/42/76/649244276.db2.gz OFQJEXZLHKBXQN-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C[C@@H]1C ZINC000944447081 649527136 /nfs/dbraw/zinc/52/71/36/649527136.db2.gz XGHUOOGIMFLZDE-BBRMVZONSA-N 1 3 318.465 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C[C@@H]1C ZINC000944447081 649527139 /nfs/dbraw/zinc/52/71/39/649527139.db2.gz XGHUOOGIMFLZDE-BBRMVZONSA-N 1 3 318.465 2.277 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000847333253 651389842 /nfs/dbraw/zinc/38/98/42/651389842.db2.gz XLHIXXCATIFESU-HOTGVXAUSA-N 1 3 324.513 2.375 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H](O)c2ccccc2Br)C1 ZINC000848722664 651498670 /nfs/dbraw/zinc/49/86/70/651498670.db2.gz QZGKJJSDWSDCOU-UHIISALHSA-N 1 3 313.239 2.342 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000849019692 651585189 /nfs/dbraw/zinc/58/51/89/651585189.db2.gz ZGCMFIVVIWCUHV-QLFBSQMISA-N 1 3 310.486 2.177 20 0 DEADHO COC1CCN(C2(CNC(=[NH2+])NCC3CCC3)CCCC2)CC1 ZINC000849101931 651601285 /nfs/dbraw/zinc/60/12/85/651601285.db2.gz ZMVGPRQVGGVCGW-UHFFFAOYSA-N 1 3 322.497 2.324 20 0 DEADHO C/C(=C/C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccccc1 ZINC000855345484 651679045 /nfs/dbraw/zinc/67/90/45/651679045.db2.gz BOHQHCSPMSQISO-WAIALKQBSA-N 1 3 317.477 2.478 20 0 DEADHO C/C(=C/C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccccc1 ZINC000855345484 651679048 /nfs/dbraw/zinc/67/90/48/651679048.db2.gz BOHQHCSPMSQISO-WAIALKQBSA-N 1 3 317.477 2.478 20 0 DEADHO CCc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000855346226 651680096 /nfs/dbraw/zinc/68/00/96/651680096.db2.gz SAWXGAKRTRBZRE-ZDUSSCGKSA-N 1 3 311.495 2.312 20 0 DEADHO CCc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000855346226 651680101 /nfs/dbraw/zinc/68/01/01/651680101.db2.gz SAWXGAKRTRBZRE-ZDUSSCGKSA-N 1 3 311.495 2.312 20 0 DEADHO CC1(C)C[C@@H]([NH3+])C[C@H](NCCCS(=O)(=O)c2ccccc2)C1 ZINC000925490506 651952075 /nfs/dbraw/zinc/95/20/75/651952075.db2.gz HWKCFKJWSVOZSM-GJZGRUSLSA-N 1 3 324.490 2.346 20 0 DEADHO CC1(C)C[C@@H](N)C[C@H]([NH2+]CCCS(=O)(=O)c2ccccc2)C1 ZINC000925490506 651952080 /nfs/dbraw/zinc/95/20/80/651952080.db2.gz HWKCFKJWSVOZSM-GJZGRUSLSA-N 1 3 324.490 2.346 20 0 DEADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H](C)CO)C2)ccn1 ZINC000856604237 651957291 /nfs/dbraw/zinc/95/72/91/651957291.db2.gz UUCKYCMLULVWHL-YJBOKZPZSA-N 1 3 321.465 2.003 20 0 DEADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](C[C@H](C)CO)C2)ccn1 ZINC000856604237 651957298 /nfs/dbraw/zinc/95/72/98/651957298.db2.gz UUCKYCMLULVWHL-YJBOKZPZSA-N 1 3 321.465 2.003 20 0 DEADHO CN(C)CC[N@H+](C)CCCNCc1ccnc(Cl)c1Cl ZINC000857784274 652176736 /nfs/dbraw/zinc/17/67/36/652176736.db2.gz UIHIJMLRSPVUEC-UHFFFAOYSA-N 1 3 319.280 2.362 20 0 DEADHO CN(C)CC[N@@H+](C)CCCNCc1ccnc(Cl)c1Cl ZINC000857784274 652176739 /nfs/dbraw/zinc/17/67/39/652176739.db2.gz UIHIJMLRSPVUEC-UHFFFAOYSA-N 1 3 319.280 2.362 20 0 DEADHO Cn1cc(CNCCCC[N@H+](C)C2CC2)c(Br)n1 ZINC000858175462 652271505 /nfs/dbraw/zinc/27/15/05/652271505.db2.gz PPPQOZDCVFOGLG-UHFFFAOYSA-N 1 3 315.259 2.147 20 0 DEADHO Cn1cc(CNCCCC[N@@H+](C)C2CC2)c(Br)n1 ZINC000858175462 652271509 /nfs/dbraw/zinc/27/15/09/652271509.db2.gz PPPQOZDCVFOGLG-UHFFFAOYSA-N 1 3 315.259 2.147 20 0 DEADHO O=C(C=C1CC[NH2+]CC1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000852854200 652470479 /nfs/dbraw/zinc/47/04/79/652470479.db2.gz FCLIHJNLJIETNC-HNNXBMFYSA-N 1 3 319.474 2.311 20 0 DEADHO Cc1cc(NCC2CC[NH+](Cc3ccncc3)CC2)nc(N)n1 ZINC000853811037 652606957 /nfs/dbraw/zinc/60/69/57/652606957.db2.gz QRNAWAVBKJKFJS-UHFFFAOYSA-N 1 3 312.421 2.086 20 0 DEADHO CC(C)CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001391535912 1156504001 /nfs/dbraw/zinc/50/40/01/1156504001.db2.gz HMSWPXBFFQXGQG-YESZJQIVSA-N 1 3 309.498 2.294 20 0 DEADHO CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1ccccc1 ZINC001373789456 1157365812 /nfs/dbraw/zinc/36/58/12/1157365812.db2.gz FLAMPXKUNDYKDF-DLBZAZTESA-N 1 3 305.466 2.257 20 0 DEADHO CC(C)[NH2+]Cc1ccc(CNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001373932448 1157475939 /nfs/dbraw/zinc/47/59/39/1157475939.db2.gz IXANSOTWTWSLBD-KRWDZBQOSA-N 1 3 305.466 2.387 20 0 DEADHO CC(C)CCCN1CC[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001375317957 1158476316 /nfs/dbraw/zinc/47/63/16/1158476316.db2.gz KFFDMMXQXLSANX-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CCCN1CC[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001375317957 1158476323 /nfs/dbraw/zinc/47/63/23/1158476323.db2.gz KFFDMMXQXLSANX-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)Cc1ccccc1CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000388187395 685426710 /nfs/dbraw/zinc/42/67/10/685426710.db2.gz OLUZAZVINAPSMB-SJORKVTESA-N 1 3 303.450 2.272 20 0 DEADHO CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001054129193 693856616 /nfs/dbraw/zinc/85/66/16/693856616.db2.gz MGFVJQJIWUFVQZ-WMZOPIPTSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001054129193 693856619 /nfs/dbraw/zinc/85/66/19/693856619.db2.gz MGFVJQJIWUFVQZ-WMZOPIPTSA-N 1 3 307.482 2.194 20 0 DEADHO CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001054145462 693862493 /nfs/dbraw/zinc/86/24/93/693862493.db2.gz QKWSWUOQRDMDTD-MJGOQNOKSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001054145462 693862497 /nfs/dbraw/zinc/86/24/97/693862497.db2.gz QKWSWUOQRDMDTD-MJGOQNOKSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205450 693882856 /nfs/dbraw/zinc/88/28/56/693882856.db2.gz RQCVNHSZIIJWGC-MAUKXSAKSA-N 1 3 318.465 2.313 20 0 DEADHO CC[C@H](C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205450 693882858 /nfs/dbraw/zinc/88/28/58/693882858.db2.gz RQCVNHSZIIJWGC-MAUKXSAKSA-N 1 3 318.465 2.313 20 0 DEADHO CC(C)N1Cc2ccc(CNC(=O)C3CC[NH+](C)CC3)cc2C1 ZINC001054280063 693912885 /nfs/dbraw/zinc/91/28/85/693912885.db2.gz XXCNCDXPZQJRBP-UHFFFAOYSA-N 1 3 315.461 2.369 20 0 DEADHO CN(C)[C@@H](CNC(=O)CC[NH2+]C(C)(C)C)Cc1ccccc1 ZINC000929468499 693961658 /nfs/dbraw/zinc/96/16/58/693961658.db2.gz KWEIWCGXZWDFIM-MRXNPFEDSA-N 1 3 305.466 2.054 20 0 DEADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CC1CCCCC1 ZINC001054736759 694035500 /nfs/dbraw/zinc/03/55/00/694035500.db2.gz NPAWRBLWLCWVSO-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC1CCCC1 ZINC001054738188 694036333 /nfs/dbraw/zinc/03/63/33/694036333.db2.gz ODDVXMCLRLGVQG-RHSMWYFYSA-N 1 3 307.482 2.097 20 0 DEADHO CCOc1cc(F)cc(C[NH2+]C[C@H](C)N2CCN(CC)CC2)c1 ZINC000865414012 687203071 /nfs/dbraw/zinc/20/30/71/687203071.db2.gz GFPAIYOSSLCAQX-HNNXBMFYSA-N 1 3 323.456 2.340 20 0 DEADHO CCO[C@H](CC[NH+](C)C)CNCc1cc(F)ccc1N(C)C ZINC000865486729 687231315 /nfs/dbraw/zinc/23/13/15/687231315.db2.gz CIBXEPYNCAFMNU-MRXNPFEDSA-N 1 3 311.445 2.338 20 0 DEADHO C[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CCC2)C1)N1CCCCCC1 ZINC001015796278 687424932 /nfs/dbraw/zinc/42/49/32/687424932.db2.gz WSFNQGJKHCDOGV-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCC2)C1)N1CCCCCC1 ZINC001015796278 687424935 /nfs/dbraw/zinc/42/49/35/687424935.db2.gz WSFNQGJKHCDOGV-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001016322962 687592008 /nfs/dbraw/zinc/59/20/08/687592008.db2.gz MEBLRZRTCHAJHE-QGZVFWFLSA-N 1 3 303.450 2.208 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001016322962 687592013 /nfs/dbraw/zinc/59/20/13/687592013.db2.gz MEBLRZRTCHAJHE-QGZVFWFLSA-N 1 3 303.450 2.208 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CC1)CC2 ZINC001016618154 687665790 /nfs/dbraw/zinc/66/57/90/687665790.db2.gz PTYQZCJHRHGFJJ-IAGOWNOFSA-N 1 3 319.493 2.240 20 0 DEADHO CC(C)[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001016761261 687697532 /nfs/dbraw/zinc/69/75/32/687697532.db2.gz IMYXOTOEKBJXAT-HNNXBMFYSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2CC23CC[NH+](CCC2CC2)CC3)C1 ZINC001016819706 687710000 /nfs/dbraw/zinc/71/00/00/687710000.db2.gz MLKZYMAJATWNTE-RDJZCZTQSA-N 1 3 319.493 2.099 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001017209423 687824310 /nfs/dbraw/zinc/82/43/10/687824310.db2.gz PBQGEHAFBAHPBK-WBVHZDCISA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC001017209423 687824321 /nfs/dbraw/zinc/82/43/21/687824321.db2.gz PBQGEHAFBAHPBK-WBVHZDCISA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001017550162 687909472 /nfs/dbraw/zinc/90/94/72/687909472.db2.gz SFXYZGBIMHPVPO-XWTMOSNGSA-N 1 3 319.493 2.192 20 0 DEADHO CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001017550162 687909474 /nfs/dbraw/zinc/90/94/74/687909474.db2.gz SFXYZGBIMHPVPO-XWTMOSNGSA-N 1 3 319.493 2.192 20 0 DEADHO CC[C@@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[C@H](C)C1 ZINC001017942917 688006766 /nfs/dbraw/zinc/00/67/66/688006766.db2.gz VMQQEZZESJWRPZ-TWMKSMIVSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[C@H](C)C1 ZINC001017942917 688006770 /nfs/dbraw/zinc/00/67/70/688006770.db2.gz VMQQEZZESJWRPZ-TWMKSMIVSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCc2ccccc2)C1)N(C)C ZINC001018999272 688267445 /nfs/dbraw/zinc/26/74/45/688267445.db2.gz MFTJRRNDGKZXTK-ROUUACIJSA-N 1 3 317.477 2.006 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C1)N(C)C ZINC001019339158 688333151 /nfs/dbraw/zinc/33/31/51/688333151.db2.gz RQCGIMPJISYBOK-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]Cc3ccsc3)C2)CC1 ZINC001019560329 688375087 /nfs/dbraw/zinc/37/50/87/688375087.db2.gz ATGOBSKFCILCGQ-INIZCTEOSA-N 1 3 321.490 2.171 20 0 DEADHO COC(=O)[C@@H]1CCCC[C@@H]1CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000930602227 694198188 /nfs/dbraw/zinc/19/81/88/694198188.db2.gz NLJCOTLLHDIUOM-NUJGCVRESA-N 1 3 308.466 2.384 20 0 DEADHO COC(=O)[C@@H]1CCCC[C@@H]1CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000930602227 694198189 /nfs/dbraw/zinc/19/81/89/694198189.db2.gz NLJCOTLLHDIUOM-NUJGCVRESA-N 1 3 308.466 2.384 20 0 DEADHO CN(C)CCN(Cc1ccccc1F)C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870908728 688684326 /nfs/dbraw/zinc/68/43/26/688684326.db2.gz WLPNNHJGOMYXCK-KOMQPUFPSA-N 1 3 321.440 2.233 20 0 DEADHO CC[NH+](CC)CCSCC(=O)N1CCN(C)C(C)(C)CC1 ZINC000871153589 688737125 /nfs/dbraw/zinc/73/71/25/688737125.db2.gz IJNJUJYPCLIOJN-UHFFFAOYSA-N 1 3 315.527 2.004 20 0 DEADHO CC[NH+]1CCC(N[C@H](C)[C@@H](O)c2cc(OC)ccc2OC)CC1 ZINC000872136159 688934100 /nfs/dbraw/zinc/93/41/00/688934100.db2.gz JWVAVVAPANEYES-FZKQIMNGSA-N 1 3 322.449 2.200 20 0 DEADHO COC(=O)c1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1C ZINC000872142914 688935192 /nfs/dbraw/zinc/93/51/92/688935192.db2.gz FGRHOEWWSQVRKL-BHYGNILZSA-N 1 3 302.418 2.341 20 0 DEADHO C[C@H](C(=O)N1CCc2ccccc21)N(C)CCCCCC[NH3+] ZINC000872155086 688939467 /nfs/dbraw/zinc/93/94/67/688939467.db2.gz LCTGGDCOJNXTAX-OAHLLOKOSA-N 1 3 303.450 2.415 20 0 DEADHO C[C@@H](CCNC[C@H](O)CC(C)(C)O)[N@H+](C)Cc1ccccc1 ZINC000872203798 688951643 /nfs/dbraw/zinc/95/16/43/688951643.db2.gz NPXWNQHUNACODI-DOTOQJQBSA-N 1 3 308.466 2.009 20 0 DEADHO C[C@@H](CCNC[C@H](O)CC(C)(C)O)[N@@H+](C)Cc1ccccc1 ZINC000872203798 688951646 /nfs/dbraw/zinc/95/16/46/688951646.db2.gz NPXWNQHUNACODI-DOTOQJQBSA-N 1 3 308.466 2.009 20 0 DEADHO Brc1ccc2c(c1)[C@H]1[C@H](NC3CC[NH2+]CC3)[C@H]1C2 ZINC000873222643 689187218 /nfs/dbraw/zinc/18/72/18/689187218.db2.gz CJXJNNFSEAIUEP-RRFJBIMHSA-N 1 3 307.235 2.429 20 0 DEADHO Brc1ccc2c(c1)[C@H]1[C@H]([NH2+]C3CCNCC3)[C@H]1C2 ZINC000873222643 689187222 /nfs/dbraw/zinc/18/72/22/689187222.db2.gz CJXJNNFSEAIUEP-RRFJBIMHSA-N 1 3 307.235 2.429 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CC[C@@H](C)C1 ZINC001032627899 689207081 /nfs/dbraw/zinc/20/70/81/689207081.db2.gz LYEMZXCSWOZRQP-PVAVHDDUSA-N 1 3 307.482 2.050 20 0 DEADHO CCC(CC)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CC[C@@H](C)C1 ZINC001032627899 689207083 /nfs/dbraw/zinc/20/70/83/689207083.db2.gz LYEMZXCSWOZRQP-PVAVHDDUSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@H](C(=O)N[C@@]1(C)CC[N@H+](CCCF)C1)N(CC)CC ZINC001375847529 1158890071 /nfs/dbraw/zinc/89/00/71/1158890071.db2.gz XQYXOOOSIDYSRW-ZBFHGGJFSA-N 1 3 301.450 2.047 20 0 DEADHO CC[C@H](C(=O)N[C@@]1(C)CC[N@@H+](CCCF)C1)N(CC)CC ZINC001375847529 1158890074 /nfs/dbraw/zinc/89/00/74/1158890074.db2.gz XQYXOOOSIDYSRW-ZBFHGGJFSA-N 1 3 301.450 2.047 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCCF)C1 ZINC001034204315 689761307 /nfs/dbraw/zinc/76/13/07/689761307.db2.gz LYVRQPWXAXXJCV-CVEARBPZSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCCF)C1 ZINC001034204315 689761309 /nfs/dbraw/zinc/76/13/09/689761309.db2.gz LYVRQPWXAXXJCV-CVEARBPZSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001034205005 689761628 /nfs/dbraw/zinc/76/16/28/689761628.db2.gz RWMDGQFXZZYZTF-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001034205005 689761632 /nfs/dbraw/zinc/76/16/32/689761632.db2.gz RWMDGQFXZZYZTF-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)=CCN1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034491603 689871499 /nfs/dbraw/zinc/87/14/99/689871499.db2.gz VBRYMPBLTTVTOG-MRXNPFEDSA-N 1 3 305.466 2.019 20 0 DEADHO Cc1cc(CN)oc1C(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC000876777888 689934149 /nfs/dbraw/zinc/93/41/49/689934149.db2.gz VZPBUIGZAMRMRO-UHFFFAOYSA-N 1 3 305.353 2.500 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876883442 689963893 /nfs/dbraw/zinc/96/38/93/689963893.db2.gz BWHLTFBJSJRMEO-KIUWMYQTSA-N 1 3 321.490 2.194 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)cc1 ZINC001034881906 689976944 /nfs/dbraw/zinc/97/69/44/689976944.db2.gz PEAZAVXUBDLHPT-MSOLQXFVSA-N 1 3 315.461 2.170 20 0 DEADHO Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)cs1 ZINC001034884637 689977522 /nfs/dbraw/zinc/97/75/22/689977522.db2.gz KDUZZPOMIKAQGR-CVEARBPZSA-N 1 3 321.490 2.231 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001034884948 689977589 /nfs/dbraw/zinc/97/75/89/689977589.db2.gz NTGYAVXTDNFNKY-MSOLQXFVSA-N 1 3 315.461 2.170 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[NH2+]CC2CCCC2)CCC1 ZINC001034956589 689998851 /nfs/dbraw/zinc/99/88/51/689998851.db2.gz BCDBETSFSRMRHK-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCC1)C1CC1 ZINC001034959909 689999937 /nfs/dbraw/zinc/99/99/37/689999937.db2.gz ISMROSUZCRZHJC-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO O=C(CN1CCCC1)N1CCC[C@@H]1C[NH2+]Cc1cccc(F)c1 ZINC001035126190 690033640 /nfs/dbraw/zinc/03/36/40/690033640.db2.gz UPHQJMSEOUBLPR-QGZVFWFLSA-N 1 3 319.424 2.002 20 0 DEADHO CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)N(C)C)CC2 ZINC001035196465 690056140 /nfs/dbraw/zinc/05/61/40/690056140.db2.gz KUAYDTQJUAQROK-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)N(C)C)CC2 ZINC001035196465 690056142 /nfs/dbraw/zinc/05/61/42/690056142.db2.gz KUAYDTQJUAQROK-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)N(C)C)CC2 ZINC001035193831 690056305 /nfs/dbraw/zinc/05/63/05/690056305.db2.gz QGBXJIMMSSITAM-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)N(C)C)CC2 ZINC001035193831 690056309 /nfs/dbraw/zinc/05/63/09/690056309.db2.gz QGBXJIMMSSITAM-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)(C)C1)CC2 ZINC001035225953 690065725 /nfs/dbraw/zinc/06/57/25/690065725.db2.gz CPHNWZFFKBVNTP-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)(C)C1)CC2 ZINC001035225953 690065730 /nfs/dbraw/zinc/06/57/30/690065730.db2.gz CPHNWZFFKBVNTP-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO [NH3+][C@@H](CCC(=O)NC[C@@H]1Cc2ccccc2CN1)c1ccccc1 ZINC000877346720 690084455 /nfs/dbraw/zinc/08/44/55/690084455.db2.gz GQLSBEPLDKDFOF-OALUTQOASA-N 1 3 323.440 2.297 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)C3(C)CC=CC3)CC2)CC1 ZINC000931216089 694342484 /nfs/dbraw/zinc/34/24/84/694342484.db2.gz CGNSXDNETDQTAO-UHFFFAOYSA-N 1 3 305.466 2.018 20 0 DEADHO O=C(N[C@H]1CCCCC12CC[NH2+]CC2)c1cccc2c1CNC2 ZINC000877409556 690105290 /nfs/dbraw/zinc/10/52/90/690105290.db2.gz VKWHUQGHYUGMDP-KRWDZBQOSA-N 1 3 313.445 2.332 20 0 DEADHO COCCN(Cc1cnn(C(C)C)c1)CC1CC[NH+](C)CC1 ZINC000877665581 690183350 /nfs/dbraw/zinc/18/33/50/690183350.db2.gz YUIGIILJXFADKK-UHFFFAOYSA-N 1 3 308.470 2.254 20 0 DEADHO CC1CC(C[NH+]2CC3(C2)CCN(C(=O)CN2CCCC2)CC3)C1 ZINC001035850794 690193145 /nfs/dbraw/zinc/19/31/45/690193145.db2.gz DVWDJPIKHZXNSZ-UHFFFAOYSA-N 1 3 319.493 2.053 20 0 DEADHO CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001036028732 690239419 /nfs/dbraw/zinc/23/94/19/690239419.db2.gz KYRPMFFMOZCTBC-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1[NH2+]CC1CCC1 ZINC001036183585 690284427 /nfs/dbraw/zinc/28/44/27/690284427.db2.gz SLBYGVXXAXUTGG-DOTOQJQBSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1CN(C[C@@H]2CCC3(CCC3)O2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000878325100 690379290 /nfs/dbraw/zinc/37/92/90/690379290.db2.gz QUBBSBVNJUEAEL-SQNIBIBYSA-N 1 3 321.509 2.046 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@@H]21 ZINC001036735233 690452533 /nfs/dbraw/zinc/45/25/33/690452533.db2.gz GNCSRSQGOFJREF-IRXDYDNUSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@@H]21 ZINC001036735233 690452537 /nfs/dbraw/zinc/45/25/37/690452537.db2.gz GNCSRSQGOFJREF-IRXDYDNUSA-N 1 3 321.509 2.440 20 0 DEADHO Cc1ccc(CN(C)CCC[N@@H+](C)CCN(C)C)nc1Cl ZINC000878623697 690458940 /nfs/dbraw/zinc/45/89/40/690458940.db2.gz UVXDJSDZLASCTC-UHFFFAOYSA-N 1 3 312.889 2.359 20 0 DEADHO Cc1ccc(CN(C)CCC[N@H+](C)CCN(C)C)nc1Cl ZINC000878623697 690458943 /nfs/dbraw/zinc/45/89/43/690458943.db2.gz UVXDJSDZLASCTC-UHFFFAOYSA-N 1 3 312.889 2.359 20 0 DEADHO O[C@@H](CN1CCCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000878743215 690490156 /nfs/dbraw/zinc/49/01/56/690490156.db2.gz BKGFKGZHBZDYNZ-SFHVURJKSA-N 1 3 315.392 2.466 20 0 DEADHO CC(C)N(C(=O)CN1CCC2(CC1)CC[NH+](C)CC2)C(C)C ZINC000879246737 690601863 /nfs/dbraw/zinc/60/18/63/690601863.db2.gz HUSMTHPSINIGKX-UHFFFAOYSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CC(C)C ZINC001037859385 690625813 /nfs/dbraw/zinc/62/58/13/690625813.db2.gz IOXXJIQHWNHRHR-WBVHZDCISA-N 1 3 309.498 2.343 20 0 DEADHO COc1ccc([C@@H]2CN(CC[C@H]3CCC[N@@H+]3C)CCN2)cc1 ZINC000879519956 690660193 /nfs/dbraw/zinc/66/01/93/690660193.db2.gz CLINLOAOWWQDIF-AEFFLSMTSA-N 1 3 303.450 2.126 20 0 DEADHO COc1ccc([C@@H]2CN(CC[C@H]3CCC[N@H+]3C)CCN2)cc1 ZINC000879519956 690660197 /nfs/dbraw/zinc/66/01/97/690660197.db2.gz CLINLOAOWWQDIF-AEFFLSMTSA-N 1 3 303.450 2.126 20 0 DEADHO Cc1cc(C)c(C[NH+]2CCC(N3CCN(C)CC3)CC2)c(C)n1 ZINC000879594379 690683260 /nfs/dbraw/zinc/68/32/60/690683260.db2.gz HDHLVXPFSUZYBW-UHFFFAOYSA-N 1 3 316.493 2.219 20 0 DEADHO C[NH+]1CCC(NC(=O)CN2CC[C@]2(C)C2CCCCC2)CC1 ZINC000879789678 690731300 /nfs/dbraw/zinc/73/13/00/690731300.db2.gz FHSHOMVPAVCOBV-GOSISDBHSA-N 1 3 307.482 2.242 20 0 DEADHO CCC(CC)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001038238832 690751953 /nfs/dbraw/zinc/75/19/53/690751953.db2.gz IUBKGZZUHGBQCJ-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO CCC(CC)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001038238832 690751956 /nfs/dbraw/zinc/75/19/56/690751956.db2.gz IUBKGZZUHGBQCJ-DLBZAZTESA-N 1 3 309.498 2.486 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CCCC1 ZINC001038322363 690780476 /nfs/dbraw/zinc/78/04/76/690780476.db2.gz QSJUCTBCLWYXJQ-SJORKVTESA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CCCC1 ZINC001038322363 690780481 /nfs/dbraw/zinc/78/04/81/690780481.db2.gz QSJUCTBCLWYXJQ-SJORKVTESA-N 1 3 307.482 2.242 20 0 DEADHO CC1(C)CC(CN2CC[C@@H]2CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001038457158 690828888 /nfs/dbraw/zinc/82/88/88/690828888.db2.gz ZDAHJKMBDJBUQR-MRXNPFEDSA-N 1 3 319.493 2.242 20 0 DEADHO CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC001039165038 691037414 /nfs/dbraw/zinc/03/74/14/691037414.db2.gz JVOGBNGDZZWOPG-GOSISDBHSA-N 1 3 321.509 2.299 20 0 DEADHO CC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC001039165038 691037416 /nfs/dbraw/zinc/03/74/16/691037416.db2.gz JVOGBNGDZZWOPG-GOSISDBHSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCCC1 ZINC001039321743 691081113 /nfs/dbraw/zinc/08/11/13/691081113.db2.gz OXLMSDXGOAHKBN-ALOPSCKCSA-N 1 3 307.482 2.240 20 0 DEADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)N1CCCCC1 ZINC001039375676 691092006 /nfs/dbraw/zinc/09/20/06/691092006.db2.gz RDRDKQDQPSVEFH-CVEARBPZSA-N 1 3 307.482 2.336 20 0 DEADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)N1CCCCC1 ZINC001039375676 691092009 /nfs/dbraw/zinc/09/20/09/691092009.db2.gz RDRDKQDQPSVEFH-CVEARBPZSA-N 1 3 307.482 2.336 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001039375676 691092013 /nfs/dbraw/zinc/09/20/13/691092013.db2.gz RDRDKQDQPSVEFH-CVEARBPZSA-N 1 3 307.482 2.336 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001039398494 691097618 /nfs/dbraw/zinc/09/76/18/691097618.db2.gz ZAAHFFVQSGKELH-IXDOHACOSA-N 1 3 307.482 2.192 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001039398494 691097619 /nfs/dbraw/zinc/09/76/19/691097619.db2.gz ZAAHFFVQSGKELH-IXDOHACOSA-N 1 3 307.482 2.192 20 0 DEADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1CN(C)C ZINC001039473955 691114694 /nfs/dbraw/zinc/11/46/94/691114694.db2.gz KKLUZJRKYVGQBE-SJORKVTESA-N 1 3 315.461 2.447 20 0 DEADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1CN(C)C ZINC001039473955 691114695 /nfs/dbraw/zinc/11/46/95/691114695.db2.gz KKLUZJRKYVGQBE-SJORKVTESA-N 1 3 315.461 2.447 20 0 DEADHO CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001039486433 691118085 /nfs/dbraw/zinc/11/80/85/691118085.db2.gz JPUXYYRTPVQEOH-KRWDZBQOSA-N 1 3 309.498 2.296 20 0 DEADHO CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001039486433 691118087 /nfs/dbraw/zinc/11/80/87/691118087.db2.gz JPUXYYRTPVQEOH-KRWDZBQOSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1)[NH+](C)C ZINC001039658550 691137361 /nfs/dbraw/zinc/13/73/61/691137361.db2.gz POYUBTVAWQDHSG-KSZLIROESA-N 1 3 321.509 2.438 20 0 DEADHO O=C(CC[NH+]1CCCCC1)N1C[C@H]2CCC[C@@H](C1)N2CC1CC1 ZINC001040014175 691175635 /nfs/dbraw/zinc/17/56/35/691175635.db2.gz GMYVLDIPMPGCIJ-HDICACEKSA-N 1 3 319.493 2.338 20 0 DEADHO CC[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2)N(C)C ZINC001040260695 691222161 /nfs/dbraw/zinc/22/21/61/691222161.db2.gz HMNKEBWAAZMZCI-SJLPKXTDSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CC1)C2)N(C)C ZINC001040260695 691222164 /nfs/dbraw/zinc/22/21/64/691222164.db2.gz HMNKEBWAAZMZCI-SJLPKXTDSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040390558 691240871 /nfs/dbraw/zinc/24/08/71/691240871.db2.gz KFXLGBNGBDYBGN-IBGZPJMESA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040390558 691240875 /nfs/dbraw/zinc/24/08/75/691240875.db2.gz KFXLGBNGBDYBGN-IBGZPJMESA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[NH+]1CCC2(CCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001040727948 691283050 /nfs/dbraw/zinc/28/30/50/691283050.db2.gz WNWXYABMPBGVDJ-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001041358890 691366568 /nfs/dbraw/zinc/36/65/68/691366568.db2.gz RFMHZBGTBLPMQC-PKOBYXMFSA-N 1 3 319.493 2.217 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001041358890 691366569 /nfs/dbraw/zinc/36/65/69/691366569.db2.gz RFMHZBGTBLPMQC-PKOBYXMFSA-N 1 3 319.493 2.217 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CC3CCC3)C2)C1)N(C)C ZINC001041378836 691369113 /nfs/dbraw/zinc/36/91/13/691369113.db2.gz MFTZCUQGZIHTIY-PKOBYXMFSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1)N(C)C ZINC001041378836 691369114 /nfs/dbraw/zinc/36/91/14/691369114.db2.gz MFTZCUQGZIHTIY-PKOBYXMFSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CC3CCCC3)C2)C1)N(C)C ZINC001041402885 691371158 /nfs/dbraw/zinc/37/11/58/691371158.db2.gz KOTOOHBHKLBOSE-IEBWSBKVSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC3CCCC3)C2)C1)N(C)C ZINC001041402885 691371161 /nfs/dbraw/zinc/37/11/61/691371161.db2.gz KOTOOHBHKLBOSE-IEBWSBKVSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001041671078 691407728 /nfs/dbraw/zinc/40/77/28/691407728.db2.gz LDRRPWTWJMUZRI-SFHVURJKSA-N 1 3 307.482 2.053 20 0 DEADHO CCC[N@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001041671078 691407730 /nfs/dbraw/zinc/40/77/30/691407730.db2.gz LDRRPWTWJMUZRI-SFHVURJKSA-N 1 3 307.482 2.053 20 0 DEADHO CC(C)(C(=O)N1CC[C@H]2CC[N@H+](CC3CC3)[C@@H]2C1)N1CCCC1 ZINC001042188909 691532699 /nfs/dbraw/zinc/53/26/99/691532699.db2.gz XLRBRKMBUNHYOZ-IAGOWNOFSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)(C(=O)N1CC[C@H]2CC[N@@H+](CC3CC3)[C@@H]2C1)N1CCCC1 ZINC001042188909 691532702 /nfs/dbraw/zinc/53/27/02/691532702.db2.gz XLRBRKMBUNHYOZ-IAGOWNOFSA-N 1 3 319.493 2.194 20 0 DEADHO CC1(C)C[NH2+]C[C@H]1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000884178682 691674957 /nfs/dbraw/zinc/67/49/57/691674957.db2.gz RXSFJHZYNUWXFO-IRXDYDNUSA-N 1 3 315.461 2.185 20 0 DEADHO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@H](N)CC2CC2)CC1 ZINC000884209205 691683161 /nfs/dbraw/zinc/68/31/61/691683161.db2.gz UMYFICIINJHVIG-OAHLLOKOSA-N 1 3 316.449 2.259 20 0 DEADHO CC(C)C[NH+]1CCC(C)(NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001045438404 691981110 /nfs/dbraw/zinc/98/11/10/691981110.db2.gz SHTYLBLRZGDMMZ-MRXNPFEDSA-N 1 3 309.498 2.486 20 0 DEADHO C([C@H]1CCC2(CCOCC2)O1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886876176 692218327 /nfs/dbraw/zinc/21/83/27/692218327.db2.gz SLNOXLXRUYIPKY-IAGOWNOFSA-N 1 3 308.466 2.180 20 0 DEADHO CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001048069475 692541997 /nfs/dbraw/zinc/54/19/97/692541997.db2.gz REFNJNUHQNMITB-RHSMWYFYSA-N 1 3 303.450 2.208 20 0 DEADHO C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C[NH2+]CC1CC1 ZINC001048256646 692584518 /nfs/dbraw/zinc/58/45/18/692584518.db2.gz PDKGNDFHWJQVOB-RDJZCZTQSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCC1)N(C)C ZINC001049713036 692972885 /nfs/dbraw/zinc/97/28/85/692972885.db2.gz WNXADYCKCLLYQB-OKZBNKHCSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CCC1)N(C)C ZINC001049713036 692972886 /nfs/dbraw/zinc/97/28/86/692972886.db2.gz WNXADYCKCLLYQB-OKZBNKHCSA-N 1 3 321.509 2.438 20 0 DEADHO C([C@@H]1CCOC1)N1CCC([NH2+][C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000925096568 693225930 /nfs/dbraw/zinc/22/59/30/693225930.db2.gz ZIODIBOYXXPCHP-YTQUADARSA-N 1 3 321.509 2.094 20 0 DEADHO CCCC[NH+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001050662629 693226911 /nfs/dbraw/zinc/22/69/11/693226911.db2.gz KQMDZMKAWKBGCO-INIZCTEOSA-N 1 3 307.482 2.053 20 0 DEADHO OC[C@H](CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)Cc1ccco1 ZINC000925477449 693279539 /nfs/dbraw/zinc/27/95/39/693279539.db2.gz QYAZXOCFRZKSNQ-BMGDILEWSA-N 1 3 306.450 2.189 20 0 DEADHO OC[C@H](C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)Cc1ccco1 ZINC000925477449 693279541 /nfs/dbraw/zinc/27/95/41/693279541.db2.gz QYAZXOCFRZKSNQ-BMGDILEWSA-N 1 3 306.450 2.189 20 0 DEADHO c1ccn2c(c1)nnc2CCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925512083 693286532 /nfs/dbraw/zinc/28/65/32/693286532.db2.gz ZEWMZLDREBAZGE-HOTGVXAUSA-N 1 3 313.449 2.030 20 0 DEADHO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)C2 ZINC000925535362 693291236 /nfs/dbraw/zinc/29/12/36/693291236.db2.gz FKCOOQACUWNMNE-YQVWRLOYSA-N 1 3 314.477 2.400 20 0 DEADHO CC1(C)C[C@@H](NCCC(=O)NCc2ccccc2)C[C@@H]([NH3+])C1 ZINC000925544030 693293739 /nfs/dbraw/zinc/29/37/39/693293739.db2.gz PRTNDMRNODGUTI-CVEARBPZSA-N 1 3 303.450 2.189 20 0 DEADHO C[C@@H]1NCCC[C@@H]1[NH2+]CCNc1ccc(-c2ccccc2)nn1 ZINC000925551476 693295311 /nfs/dbraw/zinc/29/53/11/693295311.db2.gz SLHDKDAIMCDFGK-HOCLYGCPSA-N 1 3 311.433 2.286 20 0 DEADHO O=C(CCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)Nc1ccccn1 ZINC000925598301 693306111 /nfs/dbraw/zinc/30/61/11/693306111.db2.gz UZLRHBZLWQUBOJ-HOTGVXAUSA-N 1 3 316.449 2.168 20 0 DEADHO Cc1ccc(N2CCC[C@H](N[C@@H]3C[C@H]([NH3+])CC(C)(C)C3)C2)nn1 ZINC000925619942 693310124 /nfs/dbraw/zinc/31/01/24/693310124.db2.gz CETWBOLCUXKDHM-HRCADAONSA-N 1 3 317.481 2.249 20 0 DEADHO OC[C@@H](Cc1ccccc1)N[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925641487 693315536 /nfs/dbraw/zinc/31/55/36/693315536.db2.gz NTUOATOTGPBEFY-CEXWTWQISA-N 1 3 302.462 2.348 20 0 DEADHO CSCc1n[nH]c(CN[C@@H](CCC[NH3+])c2ccccc2)n1 ZINC000925777397 693339893 /nfs/dbraw/zinc/33/98/93/693339893.db2.gz NWLIYNVORMQMQE-ZDUSSCGKSA-N 1 3 305.451 2.238 20 0 DEADHO Cc1cc(C(F)(F)F)nn1CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000925805296 693344804 /nfs/dbraw/zinc/34/48/04/693344804.db2.gz SAMGGMCNPBNTRL-NWDGAFQWSA-N 1 3 304.360 2.460 20 0 DEADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC1(C2(O)CCOCC2)CC1 ZINC000925828087 693348934 /nfs/dbraw/zinc/34/89/34/693348934.db2.gz ZMGJEDFAASOJFW-HOTGVXAUSA-N 1 3 310.482 2.209 20 0 DEADHO O=C1O[C@H](CN[C@@H]2CCc3ccc(F)cc32)CC12CC[NH2+]CC2 ZINC000925852215 693353427 /nfs/dbraw/zinc/35/34/27/693353427.db2.gz HGWLTRBOHHFINA-GOEBONIOSA-N 1 3 318.392 2.088 20 0 DEADHO C[C@H](N[C@@H](C)c1cccc(C[NH+](C)C)c1)C(=O)N1CCCC1 ZINC000926352300 693435486 /nfs/dbraw/zinc/43/54/86/693435486.db2.gz VWZPDURIMLQEEH-GJZGRUSLSA-N 1 3 303.450 2.410 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000926442700 693449827 /nfs/dbraw/zinc/44/98/27/693449827.db2.gz LLFBCTMOHYVULG-IPKUYHNJSA-N 1 3 300.446 2.082 20 0 DEADHO CC(C)CCN1CCC([NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000926654146 693487416 /nfs/dbraw/zinc/48/74/16/693487416.db2.gz KXWDLGXEJAZLKB-HNNXBMFYSA-N 1 3 307.482 2.097 20 0 DEADHO COc1ccnc([C@@H](C)N[C@@H](C)CN(C)CCC[NH+](C)C)c1 ZINC000926686905 693492564 /nfs/dbraw/zinc/49/25/64/693492564.db2.gz SINNSIICTYPXAC-LSDHHAIUSA-N 1 3 308.470 2.013 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CC2)CC1 ZINC001052376541 693519239 /nfs/dbraw/zinc/51/92/39/693519239.db2.gz HMECICOVHWZZGW-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CC2)CC1 ZINC001052376541 693519244 /nfs/dbraw/zinc/51/92/44/693519244.db2.gz HMECICOVHWZZGW-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000926890476 693525381 /nfs/dbraw/zinc/52/53/81/693525381.db2.gz SWBWIURAEIERFW-IVSFNLMXSA-N 1 3 300.446 2.009 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC(C)C)CC1 ZINC001052425728 693531142 /nfs/dbraw/zinc/53/11/42/693531142.db2.gz BURIGNHIQFVJEX-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC(C)C)CC1 ZINC001052425728 693531146 /nfs/dbraw/zinc/53/11/46/693531146.db2.gz BURIGNHIQFVJEX-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001052620540 693581234 /nfs/dbraw/zinc/58/12/34/693581234.db2.gz QFYHMZAJPZEWTA-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001052620540 693581237 /nfs/dbraw/zinc/58/12/37/693581237.db2.gz QFYHMZAJPZEWTA-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)NC[C@]1(C)CCC[N@H+](CCC2CC2)C1)N(C)C ZINC001375945923 1159012426 /nfs/dbraw/zinc/01/24/26/1159012426.db2.gz MCXVZJLJXHVZJH-AEFFLSMTSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)NC[C@]1(C)CCC[N@@H+](CCC2CC2)C1)N(C)C ZINC001375945923 1159012432 /nfs/dbraw/zinc/01/24/32/1159012432.db2.gz MCXVZJLJXHVZJH-AEFFLSMTSA-N 1 3 309.498 2.345 20 0 DEADHO CN(CC(=O)NC[C@H]([NH2+]Cc1ccsc1)C1CC1)C1CCC1 ZINC001402309650 1162321744 /nfs/dbraw/zinc/32/17/44/1162321744.db2.gz JCIGVSDRRPYWGA-INIZCTEOSA-N 1 3 321.490 2.217 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(C)nnc2C)[C@@H](C)C1 ZINC001332885378 1149915697 /nfs/dbraw/zinc/91/56/97/1149915697.db2.gz CMWOFOOPJDQFFA-KBXCAEBGSA-N 1 3 320.481 2.320 20 0 DEADHO CN1CCCC[C@H](C[NH2+]C[C@@H](O)CCOCc2ccccc2)C1 ZINC001335430818 1150414064 /nfs/dbraw/zinc/41/40/64/1150414064.db2.gz LDOOYKBXDKWMOX-MOPGFXCFSA-N 1 3 320.477 2.276 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2)C1)N(C)C ZINC001402615125 1162410987 /nfs/dbraw/zinc/41/09/87/1162410987.db2.gz ZIXRPWMSLMWRRH-QLRBWSNQSA-N 1 3 315.461 2.277 20 0 DEADHO CC(C)CN1Cc2ccc(CNC(=O)CC[NH+](C)C)cc2C1 ZINC001402750453 1162459449 /nfs/dbraw/zinc/45/94/49/1162459449.db2.gz SKUBDOSITCCILO-UHFFFAOYSA-N 1 3 303.450 2.226 20 0 DEADHO C[C@H](CN(C)Cc1ccc(F)cc1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001379725952 1152681519 /nfs/dbraw/zinc/68/15/19/1152681519.db2.gz SRICVFMOSDMUOL-CQSZACIVSA-N 1 3 321.440 2.104 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN(C)Cc1cccc(C)c1 ZINC001379764861 1152691851 /nfs/dbraw/zinc/69/18/51/1152691851.db2.gz GIVVJCVBYJUIGZ-MRXNPFEDSA-N 1 3 305.466 2.273 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN(C)Cc1cccc(C)c1 ZINC001379764861 1152691852 /nfs/dbraw/zinc/69/18/52/1152691852.db2.gz GIVVJCVBYJUIGZ-MRXNPFEDSA-N 1 3 305.466 2.273 20 0 DEADHO CC(C)C[C@@H](C)C[N@H+]1C[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001380707083 1152847325 /nfs/dbraw/zinc/84/73/25/1152847325.db2.gz WLJUCYTVIATRSQ-KURKYZTESA-N 1 3 323.525 2.399 20 0 DEADHO CC(C)C[C@@H](C)C[N@@H+]1C[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001380707083 1152847327 /nfs/dbraw/zinc/84/73/27/1152847327.db2.gz WLJUCYTVIATRSQ-KURKYZTESA-N 1 3 323.525 2.399 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccccc2)CCC1)N(C)C ZINC001380878334 1152871997 /nfs/dbraw/zinc/87/19/97/1152871997.db2.gz FMSAEJYPKCWXAR-INIZCTEOSA-N 1 3 303.450 2.155 20 0 DEADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001381390701 1153036727 /nfs/dbraw/zinc/03/67/27/1153036727.db2.gz NBAJAJKZCFFQRQ-KBPBESRZSA-N 1 3 321.440 2.293 20 0 DEADHO C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)NCC=C(Cl)Cl ZINC001381423192 1153049112 /nfs/dbraw/zinc/04/91/12/1153049112.db2.gz SOGSUESTTCRKCQ-WDEREUQCSA-N 1 3 322.280 2.130 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC001362854349 1153115951 /nfs/dbraw/zinc/11/59/51/1153115951.db2.gz IVVGXKIHBYYARW-DJIMGWMZSA-N 1 3 307.482 2.240 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001381966486 1153293146 /nfs/dbraw/zinc/29/31/46/1153293146.db2.gz JFHCDJHZBDRIMB-UYTYNIKBSA-N 1 3 321.509 2.249 20 0 DEADHO CN(CC(=O)N(C)[C@@H](C[NH2+]CC1CCCC1)C1CC1)C1CCC1 ZINC001382016743 1153318929 /nfs/dbraw/zinc/31/89/29/1153318929.db2.gz HFTYNMADRBGOHM-SFHVURJKSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1)N(C)C ZINC001389957284 1155482680 /nfs/dbraw/zinc/48/26/80/1155482680.db2.gz JNGCFACSXFSYAI-ZNMIVQPWSA-N 1 3 309.479 2.071 20 0 DEADHO CCc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H](CC)N(C)C)cc1 ZINC001390483088 1155755346 /nfs/dbraw/zinc/75/53/46/1155755346.db2.gz OVSCEYASGYGEGU-YOEHRIQHSA-N 1 3 305.466 2.184 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCC3CC3)C2)CCC1 ZINC001390625898 1155817987 /nfs/dbraw/zinc/81/79/87/1155817987.db2.gz XVFUBXBNXPCOOJ-CVEARBPZSA-N 1 3 307.482 2.288 20 0 DEADHO Cc1ccc(C)c(C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001371433452 1155852134 /nfs/dbraw/zinc/85/21/34/1155852134.db2.gz UMSJKBFJCXAREH-SJLPKXTDSA-N 1 3 319.493 2.484 20 0 DEADHO CC(C)CCC[N@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001371704123 1155947057 /nfs/dbraw/zinc/94/70/57/1155947057.db2.gz XJCADFHAECTDMD-MRXNPFEDSA-N 1 3 306.454 2.311 20 0 DEADHO CC(C)CCC[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001371704123 1155947067 /nfs/dbraw/zinc/94/70/67/1155947067.db2.gz XJCADFHAECTDMD-MRXNPFEDSA-N 1 3 306.454 2.311 20 0 DEADHO Cc1ccccc1CN(CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001391174368 1156216695 /nfs/dbraw/zinc/21/66/95/1156216695.db2.gz ILAYAOXGCAXOTQ-UHFFFAOYSA-N 1 3 303.450 2.027 20 0 DEADHO C[C@@H](C(=O)N1CC[C@H](CN(C)CCF)C1)[NH+]1CCCCCC1 ZINC001391365180 1156361959 /nfs/dbraw/zinc/36/19/59/1156361959.db2.gz WTPCPAIPVMHNLV-JKSUJKDBSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@H](C(=O)N1CC[C@H](CN(C)CCF)C1)[NH+]1CCCCCC1 ZINC001391365177 1156362002 /nfs/dbraw/zinc/36/20/02/1156362002.db2.gz WTPCPAIPVMHNLV-HZPDHXFCSA-N 1 3 313.461 2.001 20 0 DEADHO CCCC[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)CCC)CC2 ZINC001391867184 1156819556 /nfs/dbraw/zinc/81/95/56/1156819556.db2.gz FLGAHGNJLPGDJU-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CCCC[N@H+]1CCC2(C1)CCN(C(=O)CN(C)CCC)CC2 ZINC001391867184 1156819557 /nfs/dbraw/zinc/81/95/57/1156819557.db2.gz FLGAHGNJLPGDJU-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[NH2+][C@@H]1CCCc2ccccc21 ZINC001372995018 1156834639 /nfs/dbraw/zinc/83/46/39/1156834639.db2.gz VUKYFGIDKUBSGG-GOSISDBHSA-N 1 3 317.477 2.452 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]Cc1cccc(F)c1 ZINC001391930027 1156835754 /nfs/dbraw/zinc/83/57/54/1156835754.db2.gz GVQQCQYOEOJKNE-LSDHHAIUSA-N 1 3 321.440 2.009 20 0 DEADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)C[NH2+]CC1CC(C)C1 ZINC001391940853 1156838000 /nfs/dbraw/zinc/83/80/00/1156838000.db2.gz VWMKPEOJGLDBFW-PCKAHOCUSA-N 1 3 311.514 2.352 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([C@H](C)[NH2+]CC[C@@H](C)F)CC1 ZINC001373027357 1156840863 /nfs/dbraw/zinc/84/08/63/1156840863.db2.gz FWDIWRYUZYSIEX-CABCVRRESA-N 1 3 315.477 2.291 20 0 DEADHO CC(C)[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCC(F)(F)F ZINC001392237686 1156906797 /nfs/dbraw/zinc/90/67/97/1156906797.db2.gz SCNXSIUVDZGEAY-STQMWFEESA-N 1 3 323.403 2.011 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1)C(C)C)N(C)C ZINC001392246898 1156914148 /nfs/dbraw/zinc/91/41/48/1156914148.db2.gz MUAASLDDBWZFSB-SJORKVTESA-N 1 3 305.466 2.257 20 0 DEADHO CN(CCF)C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001373312683 1156966994 /nfs/dbraw/zinc/96/69/94/1156966994.db2.gz MIZMCIQKXYQYHN-MRXNPFEDSA-N 1 3 321.440 2.112 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001392523559 1157091010 /nfs/dbraw/zinc/09/10/10/1157091010.db2.gz FGKKNGKLLRNWFT-CXAGYDPISA-N 1 3 321.440 2.249 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccccc2C)C1 ZINC001373613365 1157153879 /nfs/dbraw/zinc/15/38/79/1157153879.db2.gz RZJHVCKABPOSHJ-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccccc2C)C1 ZINC001373613365 1157153901 /nfs/dbraw/zinc/15/39/01/1157153901.db2.gz RZJHVCKABPOSHJ-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CCC(CC)C[NH+]1CC([C@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001403342735 1162856842 /nfs/dbraw/zinc/85/68/42/1162856842.db2.gz CUNWCWMGBCLOBN-LBPRGKRZSA-N 1 3 306.454 2.133 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C1C[NH+](CCC2CCCC2)C1 ZINC001403344954 1162857360 /nfs/dbraw/zinc/85/73/60/1162857360.db2.gz DYFXMBSIQKOGCG-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccccc1C ZINC001373797922 1157371980 /nfs/dbraw/zinc/37/19/80/1157371980.db2.gz OIANQAXUJRNJAQ-CRAIPNDOSA-N 1 3 317.477 2.321 20 0 DEADHO C[NH+]1CCC(CC(=O)NCC2(NCc3ccsc3)CC2)CC1 ZINC001392941764 1157553823 /nfs/dbraw/zinc/55/38/23/1157553823.db2.gz NCVRTWGLNDUFMF-UHFFFAOYSA-N 1 3 321.490 2.218 20 0 DEADHO Cc1ccc(C)c(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001374207343 1157726475 /nfs/dbraw/zinc/72/64/75/1157726475.db2.gz SAKBGEFXKUIHNB-WMZOPIPTSA-N 1 3 317.477 2.334 20 0 DEADHO CC(C)CC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001374379214 1157832821 /nfs/dbraw/zinc/83/28/21/1157832821.db2.gz UWKCRLADIMUGLN-RDJZCZTQSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1)N(C)C ZINC001393499609 1157844139 /nfs/dbraw/zinc/84/41/39/1157844139.db2.gz OUNVAUQELBTLPJ-BRWVUGGUSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@@H](C)C[NH2+]C1(C)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001393740667 1157943362 /nfs/dbraw/zinc/94/33/62/1157943362.db2.gz YIIHBMDSKYPFBN-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC2CC(C)(C)C2)[C@@H](C)C1 ZINC001393745372 1157946267 /nfs/dbraw/zinc/94/62/67/1157946267.db2.gz RBDMUUVHHQISPH-HOCLYGCPSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC(C)([NH2+]CC2CCCC2)CC1 ZINC001393751582 1157950287 /nfs/dbraw/zinc/95/02/87/1157950287.db2.gz RHUYFYBWPCJZBH-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH2+]Cc1cccc(C)c1 ZINC001393829696 1158014026 /nfs/dbraw/zinc/01/40/26/1158014026.db2.gz UGWAJJUQIRUGEJ-AWEZNQCLSA-N 1 3 314.433 2.254 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001374769061 1158014956 /nfs/dbraw/zinc/01/49/56/1158014956.db2.gz ARDJSEVFYNSDDF-OAHLLOKOSA-N 1 3 303.450 2.074 20 0 DEADHO CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](C(C)C)N(C)C ZINC001393869739 1158032762 /nfs/dbraw/zinc/03/27/62/1158032762.db2.gz LMRZTCVYOPFHMI-KURKYZTESA-N 1 3 317.477 2.354 20 0 DEADHO C[C@@H]([NH2+]CCC(F)(F)F)[C@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001393964920 1158104660 /nfs/dbraw/zinc/10/46/60/1158104660.db2.gz ULMSGCIEGCPTGU-NEPJUHHUSA-N 1 3 323.403 2.296 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C1C[NH+](CCC2CCCC2)C1)N(C)C ZINC001394255663 1158397878 /nfs/dbraw/zinc/39/78/78/1158397878.db2.gz AHZOKHWZXPYTSQ-RHSMWYFYSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](Cc2ccccc2C)C1)N(C)C ZINC001394260801 1158399960 /nfs/dbraw/zinc/39/99/60/1158399960.db2.gz HGHITNKLXZLNHQ-YJBOKZPZSA-N 1 3 317.477 2.272 20 0 DEADHO C[C@@H](F)CCN1CC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001375372532 1158550340 /nfs/dbraw/zinc/55/03/40/1158550340.db2.gz FDVPNTWEVMOXMC-HZPDHXFCSA-N 1 3 313.461 2.191 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CCC2CC2)CN1C(=O)CN(C)CC(C)(C)C ZINC001394671023 1158665231 /nfs/dbraw/zinc/66/52/31/1158665231.db2.gz OXVLJHVFTOUYPM-GOEBONIOSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)[C@H](C[NH2+]CC1CCC1)C1CC1)N(C)C ZINC001403539865 1162976722 /nfs/dbraw/zinc/97/67/22/1162976722.db2.gz XFUUAKNSOPBXER-SJORKVTESA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NCC2(NC/C=C/Cl)CC2)CC1 ZINC001375516650 1158795706 /nfs/dbraw/zinc/79/57/06/1158795706.db2.gz FATJDJCMQSUSRY-FPYGCLRLSA-N 1 3 313.873 2.098 20 0 DEADHO CC[C@H](C(=O)N[C@@]1(C)CCN(CCCF)C1)[NH+](CC)CC ZINC001375847529 1158890069 /nfs/dbraw/zinc/89/00/69/1158890069.db2.gz XQYXOOOSIDYSRW-ZBFHGGJFSA-N 1 3 301.450 2.047 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[N@H+](C)C/C=C\Cl)C1 ZINC001376287354 1159316570 /nfs/dbraw/zinc/31/65/70/1159316570.db2.gz DZIOAOGFZDBNMH-DDJMYBDESA-N 1 3 315.889 2.250 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[N@@H+](C)C/C=C\Cl)C1 ZINC001376287354 1159316582 /nfs/dbraw/zinc/31/65/82/1159316582.db2.gz DZIOAOGFZDBNMH-DDJMYBDESA-N 1 3 315.889 2.250 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001376409689 1159393904 /nfs/dbraw/zinc/39/39/04/1159393904.db2.gz QSQHEVJRXQXUSD-QAQDUYKDSA-N 1 3 321.440 2.233 20 0 DEADHO CCc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN(C)C(C)C)C2)c1 ZINC001376509281 1159488705 /nfs/dbraw/zinc/48/87/05/1159488705.db2.gz DUNPHQPUZSCBAH-HDICACEKSA-N 1 3 317.477 2.326 20 0 DEADHO C[C@H](CN(C)C(=O)CCC[NH+]1CCCCC1)NC/C=C\Cl ZINC001403617956 1163052733 /nfs/dbraw/zinc/05/27/33/1163052733.db2.gz BZPCLMLCULQRKA-SOIVGHGOSA-N 1 3 315.889 2.442 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](C)Cc1ccc2cc[nH]c2c1)N(C)C ZINC001377303872 1160177482 /nfs/dbraw/zinc/17/74/82/1160177482.db2.gz PMDOESHCGVILOZ-QGZVFWFLSA-N 1 3 316.449 2.056 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](C)Cc1ccc2cc[nH]c2c1)N(C)C ZINC001377303872 1160177494 /nfs/dbraw/zinc/17/74/94/1160177494.db2.gz PMDOESHCGVILOZ-QGZVFWFLSA-N 1 3 316.449 2.056 20 0 DEADHO CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001397638136 1160377112 /nfs/dbraw/zinc/37/71/12/1160377112.db2.gz XKFXZZRHPMDFRS-VBQJREDUSA-N 1 3 313.461 2.093 20 0 DEADHO CN(C)C1(C(=O)NCC2C[NH+](CC3CC4(CCC4)C3)C2)CCC1 ZINC001377974548 1160887753 /nfs/dbraw/zinc/88/77/53/1160887753.db2.gz DZQDEIFWYZXILT-UHFFFAOYSA-N 1 3 319.493 2.099 20 0 DEADHO Cc1cccc([C@@H](C)[N@@H+](C)CCNC(=O)CN(C)C(C)C)c1 ZINC001492877961 1161156386 /nfs/dbraw/zinc/15/63/86/1161156386.db2.gz FCMRIMCZUFDUKO-MRXNPFEDSA-N 1 3 305.466 2.444 20 0 DEADHO Cc1cccc([C@@H](C)[N@H+](C)CCNC(=O)CN(C)C(C)C)c1 ZINC001492877961 1161156387 /nfs/dbraw/zinc/15/63/87/1161156387.db2.gz FCMRIMCZUFDUKO-MRXNPFEDSA-N 1 3 305.466 2.444 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001398968307 1161171553 /nfs/dbraw/zinc/17/15/53/1161171553.db2.gz WNZIORFRBNYGKQ-JSGCOSHPSA-N 1 3 317.424 2.000 20 0 DEADHO C[C@@H](c1cccc(F)c1)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001399491184 1161423993 /nfs/dbraw/zinc/42/39/93/1161423993.db2.gz YMTNXEYAFFOXSV-JJRVBVJISA-N 1 3 321.440 2.275 20 0 DEADHO C[C@@H](c1cccc(F)c1)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001399491184 1161423996 /nfs/dbraw/zinc/42/39/96/1161423996.db2.gz YMTNXEYAFFOXSV-JJRVBVJISA-N 1 3 321.440 2.275 20 0 DEADHO Cc1cccc([C@H](C)[NH2+]CCN(C)C(=O)CN2CC[C@@H](C)C2)c1 ZINC001400067650 1161645169 /nfs/dbraw/zinc/64/51/69/1161645169.db2.gz LVZJCJYEGJXBFA-SJORKVTESA-N 1 3 317.477 2.446 20 0 DEADHO CCc1ccccc1CN1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001400290748 1161709985 /nfs/dbraw/zinc/70/99/85/1161709985.db2.gz UMSTZSXCOCIXQW-GOSISDBHSA-N 1 3 317.477 2.281 20 0 DEADHO Cc1ccccc1[C@@H](C)N1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001400520868 1161761581 /nfs/dbraw/zinc/76/15/81/1161761581.db2.gz ARTFDIATNAIYRQ-OAHLLOKOSA-N 1 3 303.450 2.056 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC2C[NH+](CCCC(C)(C)C)C2)C1 ZINC001400535100 1161764619 /nfs/dbraw/zinc/76/46/19/1161764619.db2.gz ZNIITSQABCDGML-OAHLLOKOSA-N 1 3 309.498 2.203 20 0 DEADHO CC[C@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CC1CC1 ZINC001400867007 1161837925 /nfs/dbraw/zinc/83/79/25/1161837925.db2.gz UTMNPDDQOSBAIC-RHSMWYFYSA-N 1 3 313.461 2.093 20 0 DEADHO Cc1cc(C)cc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCN2C)c1 ZINC001401237254 1161900691 /nfs/dbraw/zinc/90/06/91/1161900691.db2.gz BXPGPWNATILGTL-SJLPKXTDSA-N 1 3 317.477 2.334 20 0 DEADHO Cc1cccc(C[N@@H+](C)CCN(C)C(=O)[C@@H]2CCCCN2C)c1 ZINC001401377753 1161960435 /nfs/dbraw/zinc/96/04/35/1161960435.db2.gz NHXCULZCELNBAJ-SFHVURJKSA-N 1 3 317.477 2.370 20 0 DEADHO Cc1cccc(C[N@H+](C)CCN(C)C(=O)[C@@H]2CCCCN2C)c1 ZINC001401377753 1161960440 /nfs/dbraw/zinc/96/04/40/1161960440.db2.gz NHXCULZCELNBAJ-SFHVURJKSA-N 1 3 317.477 2.370 20 0 DEADHO C[NH+](C)CCCC(=O)N1CC[C@@H]2[C@H](CCN2C/C=C/Cl)C1 ZINC001401492939 1162020004 /nfs/dbraw/zinc/02/00/04/1162020004.db2.gz NJFXJKOCZJXXFJ-GMLRFVCHSA-N 1 3 313.873 2.004 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001401716095 1162089168 /nfs/dbraw/zinc/08/91/68/1162089168.db2.gz DSALNTTYRKLOPN-BBRMVZONSA-N 1 3 309.429 2.006 20 0 DEADHO Cc1cc(F)ccc1CN(C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001401815229 1162143512 /nfs/dbraw/zinc/14/35/12/1162143512.db2.gz ZQGHULMTZGQTRH-ZBFHGGJFSA-N 1 3 321.440 2.022 20 0 DEADHO Cc1cc(F)ccc1CN(C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401815229 1162143515 /nfs/dbraw/zinc/14/35/15/1162143515.db2.gz ZQGHULMTZGQTRH-ZBFHGGJFSA-N 1 3 321.440 2.022 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)NCC2(NCc3cccc(Cl)c3)CC2)C1 ZINC001401985212 1162207772 /nfs/dbraw/zinc/20/77/72/1162207772.db2.gz NSYWDJCVKVEGCN-CQSZACIVSA-N 1 3 321.852 2.030 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)NCC2(NCc3cccc(Cl)c3)CC2)C1 ZINC001401985212 1162207775 /nfs/dbraw/zinc/20/77/75/1162207775.db2.gz NSYWDJCVKVEGCN-CQSZACIVSA-N 1 3 321.852 2.030 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)C1CC[NH+](CCCF)CC1)N(C)C ZINC001404000184 1163365290 /nfs/dbraw/zinc/36/52/90/1163365290.db2.gz AAGDVTLXCUXNGD-HOCLYGCPSA-N 1 3 315.477 2.149 20 0 DEADHO CC(C)[NH2+]Cc1ccc(CNC(=O)CN(C)C(C)C)c(F)c1 ZINC001404026355 1163383376 /nfs/dbraw/zinc/38/33/76/1163383376.db2.gz AYJFYMPKWGCPQP-UHFFFAOYSA-N 1 3 309.429 2.280 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[NH2+][C@H]1CCc2c1cccc2F ZINC001404314552 1163580382 /nfs/dbraw/zinc/58/03/82/1163580382.db2.gz BRYOGIQOQSBUST-KRWDZBQOSA-N 1 3 321.440 2.201 20 0 DEADHO CC[C@H](CNC(=O)CC[NH+](C)C)NCc1cc(C)ccc1F ZINC001405290854 1164042143 /nfs/dbraw/zinc/04/21/43/1164042143.db2.gz RWQRWKNHMWWWGD-OAHLLOKOSA-N 1 3 309.429 2.070 20 0 DEADHO CC[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001405528766 1164136110 /nfs/dbraw/zinc/13/61/10/1164136110.db2.gz ZMIYIJHHAVCKNA-QEJZJMRPSA-N 1 3 306.454 2.324 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001405728339 1164207933 /nfs/dbraw/zinc/20/79/33/1164207933.db2.gz HNEMAEJRBFGNEE-SJLPKXTDSA-N 1 3 319.493 2.423 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[N@H+](C)[C@@H](C)c1ccccc1 ZINC001406177106 1164493503 /nfs/dbraw/zinc/49/35/03/1164493503.db2.gz PIGIZXPCAMCNHN-INIZCTEOSA-N 1 3 305.466 2.478 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001406177106 1164493506 /nfs/dbraw/zinc/49/35/06/1164493506.db2.gz PIGIZXPCAMCNHN-INIZCTEOSA-N 1 3 305.466 2.478 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCc1ccccc1F ZINC001406467810 1164624327 /nfs/dbraw/zinc/62/43/27/1164624327.db2.gz OMLPROUKFRDCBC-WMLDXEAASA-N 1 3 321.440 2.293 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCc1ccccc1F ZINC001406467810 1164624331 /nfs/dbraw/zinc/62/43/31/1164624331.db2.gz OMLPROUKFRDCBC-WMLDXEAASA-N 1 3 321.440 2.293 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CC[N@@H+]1CC1CCCC1)N1CCCC1 ZINC001406835940 1164846394 /nfs/dbraw/zinc/84/63/94/1164846394.db2.gz GXZLRLDTKOMTTC-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CC[N@H+]1CC1CCCC1)N1CCCC1 ZINC001406835940 1164846398 /nfs/dbraw/zinc/84/63/98/1164846398.db2.gz GXZLRLDTKOMTTC-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CCN1CC1CCCC1)[NH+]1CCCC1 ZINC001406896855 1164873608 /nfs/dbraw/zinc/87/36/08/1164873608.db2.gz OEIFZAMABAVMMS-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001407031018 1164933469 /nfs/dbraw/zinc/93/34/69/1164933469.db2.gz QZBJNSBQYOGRFM-CALCHBBNSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001407031018 1164933473 /nfs/dbraw/zinc/93/34/73/1164933473.db2.gz QZBJNSBQYOGRFM-CALCHBBNSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001407513654 1165177634 /nfs/dbraw/zinc/17/76/34/1165177634.db2.gz AYRWUBPGOMVRCI-DLBZAZTESA-N 1 3 309.498 2.201 20 0 DEADHO CN(CC(=O)N1CCC[C@H]1C[N@H+](C)CCC1CC1)C1CCC1 ZINC001408332989 1165596925 /nfs/dbraw/zinc/59/69/25/1165596925.db2.gz DPNFXHGLXZYUJU-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO CN(CC(=O)N1CCC[C@H]1C[N@@H+](C)CCC1CC1)C1CCC1 ZINC001408332989 1165596930 /nfs/dbraw/zinc/59/69/30/1165596930.db2.gz DPNFXHGLXZYUJU-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC(C)C ZINC001408359233 1165613079 /nfs/dbraw/zinc/61/30/79/1165613079.db2.gz VWVARIVOQXVTTI-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC(C)C ZINC001408359233 1165613083 /nfs/dbraw/zinc/61/30/83/1165613083.db2.gz VWVARIVOQXVTTI-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](C(=O)NCCN(C)Cc2ccccc2)C1 ZINC001417617142 1167086890 /nfs/dbraw/zinc/08/68/90/1167086890.db2.gz DGIYWEGXIFFTLT-SFHVURJKSA-N 1 3 317.477 2.355 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](C(=O)NCCN(C)Cc2ccccc2)C1 ZINC001417617142 1167086896 /nfs/dbraw/zinc/08/68/96/1167086896.db2.gz DGIYWEGXIFFTLT-SFHVURJKSA-N 1 3 317.477 2.355 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCc2ccccc2)C1)N(C)C ZINC001418062225 1167389427 /nfs/dbraw/zinc/38/94/27/1167389427.db2.gz ICKNREHSDPYKBS-KZNAEPCWSA-N 1 3 317.477 2.052 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(CF)cc1 ZINC001418232163 1167507695 /nfs/dbraw/zinc/50/76/95/1167507695.db2.gz CFUMBJDTOUVZFV-AWEZNQCLSA-N 1 3 321.440 2.235 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC001418298795 1167558947 /nfs/dbraw/zinc/55/89/47/1167558947.db2.gz LPKRWSXDVTVCKK-CVEARBPZSA-N 1 3 305.466 2.492 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001418301363 1167562607 /nfs/dbraw/zinc/56/26/07/1167562607.db2.gz WGDFZTVKLVYSMR-UONOGXRCSA-N 1 3 319.440 2.248 20 0 DEADHO CCC(CC)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001418336800 1167584304 /nfs/dbraw/zinc/58/43/04/1167584304.db2.gz XZSIIIBNWISKHM-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1cc(C[NH2+]C[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)cs1 ZINC001418349175 1167589994 /nfs/dbraw/zinc/58/99/94/1167589994.db2.gz JCINUSSMVUEBEF-HNNXBMFYSA-N 1 3 323.506 2.335 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@H]([NH2+]C/C=C/Cl)C2)CCC1 ZINC001418356904 1167593675 /nfs/dbraw/zinc/59/36/75/1167593675.db2.gz AQINBHMRDJCSQY-KGYRSLOKSA-N 1 3 313.873 2.240 20 0 DEADHO C[C@@H](CCNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1cccnc1 ZINC001418413541 1167636274 /nfs/dbraw/zinc/63/62/74/1167636274.db2.gz DBZOWPBFVHBZAQ-HNNXBMFYSA-N 1 3 320.481 2.044 20 0 DEADHO Cc1cccc(CN(C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001418517069 1167751197 /nfs/dbraw/zinc/75/11/97/1167751197.db2.gz SRONERUEUHMNLM-QGZVFWFLSA-N 1 3 305.466 2.129 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CC[N@H+](CCC2CCCC2)C1)N(C)C ZINC001418678875 1167881121 /nfs/dbraw/zinc/88/11/21/1167881121.db2.gz CBPMIAKRMXWCQJ-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CC[N@@H+](CCC2CCCC2)C1)N(C)C ZINC001418678875 1167881126 /nfs/dbraw/zinc/88/11/26/1167881126.db2.gz CBPMIAKRMXWCQJ-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)c1ccccc1 ZINC001418857061 1168015097 /nfs/dbraw/zinc/01/50/97/1168015097.db2.gz UEFJAZSXUUUOKF-MRXNPFEDSA-N 1 3 303.450 2.326 20 0 DEADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC001418909342 1168060561 /nfs/dbraw/zinc/06/05/61/1168060561.db2.gz UPHQXGNSVDUEMK-ROUUACIJSA-N 1 3 317.477 2.355 20 0 DEADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC001418909342 1168060565 /nfs/dbraw/zinc/06/05/65/1168060565.db2.gz UPHQXGNSVDUEMK-ROUUACIJSA-N 1 3 317.477 2.355 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC2CC2)C1)N1CCCCC1 ZINC001418955601 1168093404 /nfs/dbraw/zinc/09/34/04/1168093404.db2.gz IZYDKOQGECXAKL-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CC2)C1)N1CCCCC1 ZINC001418955601 1168093411 /nfs/dbraw/zinc/09/34/11/1168093411.db2.gz IZYDKOQGECXAKL-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](F)CC[NH2+][C@@H](CNC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001419282687 1168371888 /nfs/dbraw/zinc/37/18/88/1168371888.db2.gz VIBRTCTWJDUFRP-ZFWWWQNUSA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001419341668 1168412259 /nfs/dbraw/zinc/41/22/59/1168412259.db2.gz UPGDNCKOKCNHEZ-CALCHBBNSA-N 1 3 321.509 2.440 20 0 DEADHO Cc1cccc(C[NH2+]C[C@@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001419468818 1168514024 /nfs/dbraw/zinc/51/40/24/1168514024.db2.gz KVLTXCKRRHTAAT-MRXNPFEDSA-N 1 3 317.477 2.321 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@H]1CCCN(Cc2ccsc2)C1 ZINC001419569974 1168607806 /nfs/dbraw/zinc/60/78/06/1168607806.db2.gz ZDSXFQXLSRWHQC-CQSZACIVSA-N 1 3 309.479 2.028 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001419601941 1168655307 /nfs/dbraw/zinc/65/53/07/1168655307.db2.gz AXXKLMRRRDEIEL-KRWDZBQOSA-N 1 3 303.450 2.109 20 0 DEADHO CCCN(C)CC(=O)NC1CCC([NH2+]C/C=C/Cl)CC1 ZINC001419680070 1168800329 /nfs/dbraw/zinc/80/03/29/1168800329.db2.gz ITIOYLHLFYDBIN-RUDMXATFSA-N 1 3 301.862 2.098 20 0 DEADHO CCc1ccc(C[NH2+][C@@H](C)CNC(=O)CN(C)C2CCC2)cc1 ZINC001419777251 1168841781 /nfs/dbraw/zinc/84/17/81/1168841781.db2.gz OGIQNZMIDJFRPX-HNNXBMFYSA-N 1 3 317.477 2.328 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCC(F)(F)F)[C@@H](C)C1 ZINC001419831742 1168864739 /nfs/dbraw/zinc/86/47/39/1168864739.db2.gz WALHYKAORWYUKD-STQMWFEESA-N 1 3 323.403 2.106 20 0 DEADHO CN(CC[N@H+](C)CCc1cccs1)C(=O)CN(C)C1CCC1 ZINC001419964388 1169013502 /nfs/dbraw/zinc/01/35/02/1169013502.db2.gz AXLXMYJVVSHLJO-UHFFFAOYSA-N 1 3 323.506 2.165 20 0 DEADHO CN(CC[N@@H+](C)CCc1cccs1)C(=O)CN(C)C1CCC1 ZINC001419964388 1169013513 /nfs/dbraw/zinc/01/35/13/1169013513.db2.gz AXLXMYJVVSHLJO-UHFFFAOYSA-N 1 3 323.506 2.165 20 0 DEADHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccccc1F ZINC001420130916 1169183714 /nfs/dbraw/zinc/18/37/14/1169183714.db2.gz LFTUNGXJRIEUKN-HUUCEWRRSA-N 1 3 321.440 2.152 20 0 DEADHO CC[C@H](F)CN(C)CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001421868600 1172068582 /nfs/dbraw/zinc/06/85/82/1172068582.db2.gz HBLBIXCETFOEEC-HNNXBMFYSA-N 1 3 315.477 2.389 20 0 DEADHO CC(C)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001422025881 1172239831 /nfs/dbraw/zinc/23/98/31/1172239831.db2.gz FMKCYRVNLPCHTF-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](F)CC[NH2+]C1(C)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001422047052 1172254388 /nfs/dbraw/zinc/25/43/88/1172254388.db2.gz ZXAHYIOPQXUPQL-CQSZACIVSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]([NH2+]C/C=C/Cl)C(C)C)N(C)C ZINC001422119453 1172317528 /nfs/dbraw/zinc/31/75/28/1172317528.db2.gz NIUGZXWXRRZWHU-GODNBWANSA-N 1 3 303.878 2.056 20 0 DEADHO CCc1ccccc1C[N@@H+](C)CCN(C)C(=O)[C@@H](CC)N(C)C ZINC001422233893 1172420149 /nfs/dbraw/zinc/42/01/49/1172420149.db2.gz XILIDHXYTHIGHL-GOSISDBHSA-N 1 3 319.493 2.479 20 0 DEADHO CCc1ccccc1C[N@H+](C)CCN(C)C(=O)[C@@H](CC)N(C)C ZINC001422233893 1172420151 /nfs/dbraw/zinc/42/01/51/1172420151.db2.gz XILIDHXYTHIGHL-GOSISDBHSA-N 1 3 319.493 2.479 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001422244961 1172433509 /nfs/dbraw/zinc/43/35/09/1172433509.db2.gz PJPNEJGHKDXDIL-ZWKOTPCHSA-N 1 3 321.509 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001422244961 1172433512 /nfs/dbraw/zinc/43/35/12/1172433512.db2.gz PJPNEJGHKDXDIL-ZWKOTPCHSA-N 1 3 321.509 2.299 20 0 DEADHO CN(CC(C)(C)CNC/C(Cl)=C\Cl)C(=O)CC[NH+](C)C ZINC001422461336 1172611562 /nfs/dbraw/zinc/61/15/62/1172611562.db2.gz QPZXTRQQTBTPQY-XYOKQWHBSA-N 1 3 324.296 2.331 20 0 DEADHO C[C@H](C[NH2+]Cc1ccc(CF)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001422508297 1172661769 /nfs/dbraw/zinc/66/17/69/1172661769.db2.gz BRZLTSJYWPMHHJ-CQSZACIVSA-N 1 3 321.440 2.235 20 0 DEADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)[N@H+](C)CCCF ZINC001422600819 1172749915 /nfs/dbraw/zinc/74/99/15/1172749915.db2.gz JMBAWMCIEZWRDO-CQSZACIVSA-N 1 3 309.429 2.158 20 0 DEADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)[N@@H+](C)CCCF ZINC001422600819 1172749919 /nfs/dbraw/zinc/74/99/19/1172749919.db2.gz JMBAWMCIEZWRDO-CQSZACIVSA-N 1 3 309.429 2.158 20 0 DEADHO C[C@H](NC(=O)CN1CC[C@H](C)C1)C1C[NH+](CCCC2CCC2)C1 ZINC001422751066 1172842592 /nfs/dbraw/zinc/84/25/92/1172842592.db2.gz LUXMKKGCLHSOIZ-HOTGVXAUSA-N 1 3 321.509 2.345 20 0 DEADHO CN(C(=O)Cc1c[nH]cn1)[C@@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001422981009 1172994361 /nfs/dbraw/zinc/99/43/61/1172994361.db2.gz CMCTYBARSPWKQQ-KRWDZBQOSA-N 1 3 318.465 2.359 20 0 DEADHO CN(C)C1(C(=O)NCC2([NH2+]CC3CC(C)(C)C3)CC2)CCC1 ZINC001423226470 1173171903 /nfs/dbraw/zinc/17/19/03/1173171903.db2.gz HXHZZBBHEDKODZ-UHFFFAOYSA-N 1 3 307.482 2.145 20 0 DEADHO CC[C@@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)[C@@H](O)C(F)F ZINC001423249664 1173184134 /nfs/dbraw/zinc/18/41/34/1173184134.db2.gz FLIQASQGRYVKNY-MYMJJRTCSA-N 1 3 320.424 2.014 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC1([NH2+]CC2CCC2)CC1 ZINC001423289283 1173206847 /nfs/dbraw/zinc/20/68/47/1173206847.db2.gz RLMXKLVTCQLELE-INIZCTEOSA-N 1 3 307.482 2.288 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC2CC(C)(C)C2)[C@H]1C ZINC001423329774 1173248893 /nfs/dbraw/zinc/24/88/93/1173248893.db2.gz PCBIEFWDUFWPMP-GDBMZVCRSA-N 1 3 309.498 2.342 20 0 DEADHO C[NH+](C)CCC(=O)N[C@@]12CCC[C@H]1N(CCC(F)(F)F)CC2 ZINC001423354017 1173289228 /nfs/dbraw/zinc/28/92/28/1173289228.db2.gz QBOYRZQYJJPYAJ-TZMCWYRMSA-N 1 3 321.387 2.004 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC2CCCC2)C[C@@H]1C ZINC001423454971 1173359812 /nfs/dbraw/zinc/35/98/12/1173359812.db2.gz ROPZKEJXIGJALF-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO CN1CCCC[C@H]1C[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001423480167 1173367230 /nfs/dbraw/zinc/36/72/30/1173367230.db2.gz GGESSRHNAWNALK-ADKAHSJRSA-N 1 3 309.498 2.094 20 0 DEADHO COc1ccc(CNC[C@H]2C[NH+]3CCC2CC3)c(C)c1OC ZINC001423483678 1173368655 /nfs/dbraw/zinc/36/86/55/1173368655.db2.gz SASHDKNCEWKNFY-INIZCTEOSA-N 1 3 304.434 2.444 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C1CC[NH+](CCC2CC2)CC1 ZINC001423661272 1173473580 /nfs/dbraw/zinc/47/35/80/1173473580.db2.gz OEJFWMRHOKAUAY-HNNXBMFYSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](CCN(C)C(=O)Cc1c[nH]cn1)[NH2+]C/C=C/Cl ZINC001425146574 1174195563 /nfs/dbraw/zinc/19/55/63/1174195563.db2.gz DBAALNCUEKRXPL-YVARQFDVSA-N 1 3 312.845 2.167 20 0 DEADHO C[NH2+]CCOCCN(C)CCOc1ccc(C(F)(F)F)cc1 ZINC001578707501 1176857375 /nfs/dbraw/zinc/85/73/75/1176857375.db2.gz DORXGVRNBINLKN-UHFFFAOYSA-N 1 3 320.355 2.252 20 0 DEADHO C[C@H](CC[NH+](C)C)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001433788267 1177993876 /nfs/dbraw/zinc/99/38/76/1177993876.db2.gz CSJSFQDBJRTQDN-RYRKJORJSA-N 1 3 317.477 2.353 20 0 DEADHO COC(=O)C1(c2ccc(C[N@@H+]3CC[C@@H](CN(C)C)C3)cc2)CC1 ZINC001434469678 1178616783 /nfs/dbraw/zinc/61/67/83/1178616783.db2.gz XKKSPDHDBZGGOJ-INIZCTEOSA-N 1 3 316.445 2.275 20 0 DEADHO COC(=O)C1(c2ccc(C[N@H+]3CC[C@@H](CN(C)C)C3)cc2)CC1 ZINC001434469678 1178616804 /nfs/dbraw/zinc/61/68/04/1178616804.db2.gz XKKSPDHDBZGGOJ-INIZCTEOSA-N 1 3 316.445 2.275 20 0 DEADHO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001434536657 1178800919 /nfs/dbraw/zinc/80/09/19/1178800919.db2.gz NIFHXDKLDUYJRW-FUCKSNOFSA-N 1 3 310.482 2.421 20 0 DEADHO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C[C@H]1CN2CCC1CC2 ZINC001434540052 1178802906 /nfs/dbraw/zinc/80/29/06/1178802906.db2.gz ZBEPPWGYKMALAN-AWEZNQCLSA-N 1 3 311.470 2.221 20 0 DEADHO CC(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001436386676 1179073242 /nfs/dbraw/zinc/07/32/42/1179073242.db2.gz OZDPQRCTUYNMFM-ULQDDVLXSA-N 1 3 309.498 2.390 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001436397651 1179079610 /nfs/dbraw/zinc/07/96/10/1179079610.db2.gz HYAAOVZSDQSBRV-HDJSIYSDSA-N 1 3 306.454 2.181 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001436744009 1179212727 /nfs/dbraw/zinc/21/27/27/1179212727.db2.gz QBJBVQUJVANHKS-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001436744009 1179212734 /nfs/dbraw/zinc/21/27/34/1179212734.db2.gz QBJBVQUJVANHKS-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001436877048 1179287213 /nfs/dbraw/zinc/28/72/13/1179287213.db2.gz WYVIQLLDDSIPQG-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001437025398 1179356188 /nfs/dbraw/zinc/35/61/88/1179356188.db2.gz WROFXUIZGCQMMK-OAHLLOKOSA-N 1 3 323.506 2.418 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCC1CCCCC1 ZINC001437214652 1179593892 /nfs/dbraw/zinc/59/38/92/1179593892.db2.gz WQZABOMRNJEWPN-HZPDHXFCSA-N 1 3 309.498 2.393 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1cc(C)ccc1C)N(C)C ZINC001437242004 1179637666 /nfs/dbraw/zinc/63/76/66/1179637666.db2.gz UIJVTCKKQYCAAN-WBVHZDCISA-N 1 3 305.466 2.238 20 0 DEADHO C[C@H]([NH2+]CCN(C)C(=O)CN(C)C1CCC1)c1cccc(F)c1 ZINC001437853387 1180031549 /nfs/dbraw/zinc/03/15/49/1180031549.db2.gz ZBOJOHXFCOMFKK-AWEZNQCLSA-N 1 3 321.440 2.419 20 0 DEADHO CC[C@@H](C(=O)N(CC)[C@H]1CC[N@H+](CC2CC2)C1)N(CC)CC ZINC001438263321 1180302288 /nfs/dbraw/zinc/30/22/88/1180302288.db2.gz GACBWPKXONYFSL-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C(=O)N(CC)[C@H]1CC[N@@H+](CC2CC2)C1)N(CC)CC ZINC001438263321 1180302301 /nfs/dbraw/zinc/30/23/01/1180302301.db2.gz GACBWPKXONYFSL-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H](C[NH2+][C@@H](C)c1cccc(F)c1)N(C)C(=O)CN1CCCC1 ZINC001438725743 1180797370 /nfs/dbraw/zinc/79/73/70/1180797370.db2.gz WLSSQBBQHLWQAG-GJZGRUSLSA-N 1 3 321.440 2.419 20 0 DEADHO CC(C)[C@H](CNC(=O)[C@H]1CCCN1C(C)C)[NH2+]CCC1CC1 ZINC001438802984 1180816941 /nfs/dbraw/zinc/81/69/41/1180816941.db2.gz KHVNGNJACPDXHV-DLBZAZTESA-N 1 3 309.498 2.390 20 0 DEADHO CC(C)[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCC(C)(C)C ZINC001438827262 1180823289 /nfs/dbraw/zinc/82/32/89/1180823289.db2.gz IWCKUSZQDWJADU-HOTGVXAUSA-N 1 3 311.514 2.495 20 0 DEADHO Cc1ccc(F)cc1CN(C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001439371077 1181052527 /nfs/dbraw/zinc/05/25/27/1181052527.db2.gz PIQAQQSXYQJCJW-HNNXBMFYSA-N 1 3 323.456 2.412 20 0 DEADHO CC(C)[NH2+]C[C@H]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001440131310 1181362770 /nfs/dbraw/zinc/36/27/70/1181362770.db2.gz YBGTVWBEZHTLJT-WKILWMFISA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001440523874 1181579726 /nfs/dbraw/zinc/57/97/26/1181579726.db2.gz YQKNWAQHDQFPEI-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001440523874 1181579734 /nfs/dbraw/zinc/57/97/34/1181579734.db2.gz YQKNWAQHDQFPEI-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CCC(CC)C[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001440600094 1181607286 /nfs/dbraw/zinc/60/72/86/1181607286.db2.gz BNJKKCOZJQKEMH-PBHICJAKSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C1C[NH+](CCc2ccccc2)C1)N(C)C ZINC001441172512 1181882358 /nfs/dbraw/zinc/88/23/58/1181882358.db2.gz QHQUGTJQCFQWPR-MAUKXSAKSA-N 1 3 317.477 2.006 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001441368240 1181958663 /nfs/dbraw/zinc/95/86/63/1181958663.db2.gz XXLWBTPPCHXKGG-JCNLHEQBSA-N 1 3 321.440 2.150 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001441844052 1182210998 /nfs/dbraw/zinc/21/09/98/1182210998.db2.gz QHEFGQYDODDPCZ-AWEZNQCLSA-N 1 3 307.482 2.145 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C)cc1C)N(C)C ZINC001441855774 1182218365 /nfs/dbraw/zinc/21/83/65/1182218365.db2.gz PYWXHHFSURSCLF-NVXWUHKLSA-N 1 3 305.466 2.238 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccns2)C1 ZINC001442198507 1182362826 /nfs/dbraw/zinc/36/28/26/1182362826.db2.gz GLPSNMNAQPZWQL-KBPBESRZSA-N 1 3 324.494 2.002 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+]C1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC001442251649 1182391111 /nfs/dbraw/zinc/39/11/11/1182391111.db2.gz HPTMCVMXHPKRDH-VQCLRJIVSA-N 1 3 306.454 2.213 20 0 DEADHO CCCC[NH+]1CCC(C2(NC(=O)CN(C)C(C)C)CC2)CC1 ZINC001442269240 1182397065 /nfs/dbraw/zinc/39/70/65/1182397065.db2.gz SOLABXFMSYMKLD-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1cc(C)cc(CN(C)CCNC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001442570246 1182545182 /nfs/dbraw/zinc/54/51/82/1182545182.db2.gz AOSYYYBPKTVHIK-KRWDZBQOSA-N 1 3 317.477 2.193 20 0 DEADHO Cc1cc(C)cc(CN(C)CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001442570246 1182545187 /nfs/dbraw/zinc/54/51/87/1182545187.db2.gz AOSYYYBPKTVHIK-KRWDZBQOSA-N 1 3 317.477 2.193 20 0 DEADHO Cc1cc(CN2CCC[C@@H]2CNC(=O)CC[NH+](C)C)c(C)s1 ZINC001442802571 1182717735 /nfs/dbraw/zinc/71/77/35/1182717735.db2.gz RMIVFGVFJRGODT-MRXNPFEDSA-N 1 3 323.506 2.397 20 0 DEADHO CC[C@H](C(=O)N[C@H](C[NH2+]CC1CC1)C1CCCCC1)N(C)C ZINC001444773022 1183549468 /nfs/dbraw/zinc/54/94/68/1183549468.db2.gz GBVXXCHAHCANEX-IAGOWNOFSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)C[N@H+](C)CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001444841446 1183587815 /nfs/dbraw/zinc/58/78/15/1183587815.db2.gz RPVAHHAHUYLTMP-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)C[N@@H+](C)CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001444841446 1183587817 /nfs/dbraw/zinc/58/78/17/1183587817.db2.gz RPVAHHAHUYLTMP-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001445101615 1183772678 /nfs/dbraw/zinc/77/26/78/1183772678.db2.gz CHWPTSRXEWNNNT-MSOLQXFVSA-N 1 3 317.477 2.403 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)c1cccc(F)c1)N(C)C ZINC001445395017 1183860404 /nfs/dbraw/zinc/86/04/04/1183860404.db2.gz PDODHCPDPJJQJW-DVOMOZLQSA-N 1 3 309.429 2.321 20 0 DEADHO C[C@@H](NC[C@H](C)NC(=O)C12CC[NH+](CC1)C2)c1ccccc1F ZINC001445646606 1183953825 /nfs/dbraw/zinc/95/38/25/1183953825.db2.gz KWONFTOLVWZHRE-UONOGXRCSA-N 1 3 319.424 2.077 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001445659113 1183958531 /nfs/dbraw/zinc/95/85/31/1183958531.db2.gz TXXJWKJOACZADN-KBPBESRZSA-N 1 3 309.429 2.321 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CC1CCCC1 ZINC001445714217 1184010020 /nfs/dbraw/zinc/01/00/20/1184010020.db2.gz BRMFPHOBYPIICJ-DOTOQJQBSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC1CCCC1 ZINC001445714217 1184010030 /nfs/dbraw/zinc/01/00/30/1184010030.db2.gz BRMFPHOBYPIICJ-DOTOQJQBSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1CC1)C1CC1 ZINC001445974827 1184157898 /nfs/dbraw/zinc/15/78/98/1184157898.db2.gz ARUKPMFUFPKRKL-IAGOWNOFSA-N 1 3 307.482 2.144 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1CC[N@@H+]1CCC(C)(C)C ZINC001446050026 1184199444 /nfs/dbraw/zinc/19/94/44/1184199444.db2.gz CZXWNUHNOOQKBW-GJZGRUSLSA-N 1 3 315.477 2.293 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1CC[N@H+]1CCC(C)(C)C ZINC001446050026 1184199449 /nfs/dbraw/zinc/19/94/49/1184199449.db2.gz CZXWNUHNOOQKBW-GJZGRUSLSA-N 1 3 315.477 2.293 20 0 DEADHO C[NH+](C)CC1(C(=O)NC[C@H]2CCN2CCCC2CCC2)CC1 ZINC001446076576 1184214901 /nfs/dbraw/zinc/21/49/01/1184214901.db2.gz PKKADEZCXXUCGD-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001446663528 1184479780 /nfs/dbraw/zinc/47/97/80/1184479780.db2.gz FJNKOLHJSRRIRA-AEFFLSMTSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001446663528 1184479787 /nfs/dbraw/zinc/47/97/87/1184479787.db2.gz FJNKOLHJSRRIRA-AEFFLSMTSA-N 1 3 309.498 2.488 20 0 DEADHO CCC1([NH2+]CC[C@@H](C)F)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001447432235 1184773076 /nfs/dbraw/zinc/77/30/76/1184773076.db2.gz YUXTUWXQQXZKLX-CYBMUJFWSA-N 1 3 310.417 2.061 20 0 DEADHO C[C@@H](NC(=O)CN(C)C1CCC1)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC001448303605 1185155252 /nfs/dbraw/zinc/15/52/52/1185155252.db2.gz KLODYONDKIAIIX-CQSZACIVSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[N@H+](CC2CC2)CC1(C)C)N1CCCC1 ZINC001448398813 1185202513 /nfs/dbraw/zinc/20/25/13/1185202513.db2.gz QNPXSJFMONLSTK-DLBZAZTESA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[N@@H+](CC2CC2)CC1(C)C)N1CCCC1 ZINC001448398813 1185202523 /nfs/dbraw/zinc/20/25/23/1185202523.db2.gz QNPXSJFMONLSTK-DLBZAZTESA-N 1 3 321.509 2.343 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(F)c2)[C@H]1C ZINC001448973156 1185467402 /nfs/dbraw/zinc/46/74/02/1185467402.db2.gz DUKSRNQEQQEBMW-RHSMWYFYSA-N 1 3 321.440 2.247 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1C[C@H](NC/C=C\Cl)C[C@H]1C ZINC001449023259 1185493276 /nfs/dbraw/zinc/49/32/76/1185493276.db2.gz WOMXUMVZEAXZKQ-KMVAXQJASA-N 1 3 301.862 2.050 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](NC/C=C\Cl)C[C@H]1C ZINC001449023259 1185493281 /nfs/dbraw/zinc/49/32/81/1185493281.db2.gz WOMXUMVZEAXZKQ-KMVAXQJASA-N 1 3 301.862 2.050 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@@H](NC(=O)CN(C)C1CCC1)C(C)(C)C ZINC001449291734 1185628621 /nfs/dbraw/zinc/62/86/21/1185628621.db2.gz JBRFHGDOEKRSGW-DZGCQCFKSA-N 1 3 315.477 2.339 20 0 DEADHO CCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C(F)(F)F ZINC001449367687 1185680438 /nfs/dbraw/zinc/68/04/38/1185680438.db2.gz MUDUVKAOOOCYBR-QWHCGFSZSA-N 1 3 323.403 2.106 20 0 DEADHO CN(Cc1ccc(N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)nc1)C1CC1 ZINC001164624832 719123648 /nfs/dbraw/zinc/12/36/48/719123648.db2.gz WLEMBOMBERIOOG-GOEBONIOSA-N 1 3 318.440 2.189 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccsc2)C1)N(C)C ZINC001370782925 1149834866 /nfs/dbraw/zinc/83/48/66/1149834866.db2.gz ZGKKDZAWQAUWAQ-HOCLYGCPSA-N 1 3 323.506 2.417 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccsc2)C1)N(C)C ZINC001370782925 1149834867 /nfs/dbraw/zinc/83/48/67/1149834867.db2.gz ZGKKDZAWQAUWAQ-HOCLYGCPSA-N 1 3 323.506 2.417 20 0 DEADHO CC(C)C[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001407232103 1165057514 /nfs/dbraw/zinc/05/75/14/1165057514.db2.gz HPLPJFOUKRHNCV-GOSISDBHSA-N 1 3 311.514 2.449 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CC2CCCC2)C1)N(C)C ZINC001407237087 1165060945 /nfs/dbraw/zinc/06/09/45/1165060945.db2.gz MOYZSERMYJCOCO-WMZOPIPTSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CC[N@H+](CCC(C)(C)C)C3)C1 ZINC001072982895 790354751 /nfs/dbraw/zinc/35/47/51/790354751.db2.gz DUEBOKOOJPLWCU-INIZCTEOSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CC[N@@H+](CCC(C)(C)C)C3)C1 ZINC001072982895 790354765 /nfs/dbraw/zinc/35/47/65/790354765.db2.gz DUEBOKOOJPLWCU-INIZCTEOSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)=CC[NH2+]CC1(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001167225705 776782105 /nfs/dbraw/zinc/78/21/05/776782105.db2.gz XYGXMOBUZPYLJZ-MRXNPFEDSA-N 1 3 307.482 2.313 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC2(C[NH2+]CCC3CC3)CC2)C1 ZINC001167233027 776786996 /nfs/dbraw/zinc/78/69/96/776786996.db2.gz YPMIZTICBLBFQI-OAHLLOKOSA-N 1 3 307.482 2.004 20 0 DEADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CCC1CC1 ZINC001104291064 776946763 /nfs/dbraw/zinc/94/67/63/776946763.db2.gz IDUYFWFZRGCJMA-ZTFGCOKTSA-N 1 3 321.509 2.201 20 0 DEADHO CN(C)CCN(C(=O)[C@@H]1CC12CCCCC2)[C@@H]1CCC[NH2+]C1 ZINC001161444839 778090718 /nfs/dbraw/zinc/09/07/18/778090718.db2.gz KWOXUJDMXFIYGM-CVEARBPZSA-N 1 3 307.482 2.099 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](C)CC)C1 ZINC001104938041 778265579 /nfs/dbraw/zinc/26/55/79/778265579.db2.gz NLOUPKAGRRTWFS-BRWVUGGUSA-N 1 3 311.514 2.449 20 0 DEADHO CC(C)CC[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105067153 778322500 /nfs/dbraw/zinc/32/25/00/778322500.db2.gz PKFDFNDWXIXFED-IAGOWNOFSA-N 1 3 311.514 2.447 20 0 DEADHO Cc1ccc2c(Cl)nnc(NC(=N)NCCCC[NH3+])c2c1 ZINC001167877849 778741631 /nfs/dbraw/zinc/74/16/31/778741631.db2.gz LEJLHRHHYQEJBX-UHFFFAOYSA-N 1 3 306.801 2.267 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001087992447 779619730 /nfs/dbraw/zinc/61/97/30/779619730.db2.gz WDKKKUBQKNISSS-SJORKVTESA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001087992447 779619736 /nfs/dbraw/zinc/61/97/36/779619736.db2.gz WDKKKUBQKNISSS-SJORKVTESA-N 1 3 321.509 2.297 20 0 DEADHO CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H](CC)N(C)C)CCC1 ZINC001105544566 780759024 /nfs/dbraw/zinc/75/90/24/780759024.db2.gz NJAQVVVEJYJKIZ-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN(C)C(C)C)CCC1 ZINC001105579831 780775737 /nfs/dbraw/zinc/77/57/37/780775737.db2.gz WTXRBNRYYYSIMU-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO COc1cccc(N2CCN(C3CCC([NH+](C)C)CC3)CC2)n1 ZINC001168327974 780843051 /nfs/dbraw/zinc/84/30/51/780843051.db2.gz VWHDAQWAQOWPSL-UHFFFAOYSA-N 1 3 318.465 2.085 20 0 DEADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]CC2CCCCC2)C1 ZINC001101037798 780960803 /nfs/dbraw/zinc/96/08/03/780960803.db2.gz XFSWLUXKQGFRHF-UHFFFAOYSA-N 1 3 309.498 2.391 20 0 DEADHO OC[C@@H](COCc1ccccc1)[NH2+]C1CCN(CC2CC2)CC1 ZINC001168360444 780964899 /nfs/dbraw/zinc/96/48/99/780964899.db2.gz QKRFKXIADAZYNM-IBGZPJMESA-N 1 3 318.461 2.028 20 0 DEADHO C[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC3CC3)C[C@H]21)N1CCCCCC1 ZINC001076324476 781217618 /nfs/dbraw/zinc/21/76/18/781217618.db2.gz UTQLVXLWUYIHHW-RYQLBKOJSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CC3)C[C@H]21)N1CCCCCC1 ZINC001076324476 781217623 /nfs/dbraw/zinc/21/76/23/781217623.db2.gz UTQLVXLWUYIHHW-RYQLBKOJSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001076604095 781320959 /nfs/dbraw/zinc/32/09/59/781320959.db2.gz LTUOJMHJWVCTLD-ZWKOTPCHSA-N 1 3 315.461 2.303 20 0 DEADHO CC(C)[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001076604095 781320962 /nfs/dbraw/zinc/32/09/62/781320962.db2.gz LTUOJMHJWVCTLD-ZWKOTPCHSA-N 1 3 315.461 2.303 20 0 DEADHO N[C@@H]([C@H]1CCC[N@@H+](C2CCN(CC3CC3)CC2)C1)C(F)(F)F ZINC001168368339 781532078 /nfs/dbraw/zinc/53/20/78/781532078.db2.gz IOTJVSPBNUJGMA-ZFWWWQNUSA-N 1 3 319.415 2.462 20 0 DEADHO N[C@@H]([C@H]1CCC[N@H+](C2CCN(CC3CC3)CC2)C1)C(F)(F)F ZINC001168368339 781532084 /nfs/dbraw/zinc/53/20/84/781532084.db2.gz IOTJVSPBNUJGMA-ZFWWWQNUSA-N 1 3 319.415 2.462 20 0 DEADHO F[C@H]1CN(C2CC[NH+](CC3CC3)CC2)CC[C@@H]1N1CCCC1 ZINC001168398756 781794261 /nfs/dbraw/zinc/79/42/61/781794261.db2.gz VFGHWWGTBLZDRJ-ROUUACIJSA-N 1 3 309.473 2.369 20 0 DEADHO CCc1ccccc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000967925268 784178528 /nfs/dbraw/zinc/17/85/28/784178528.db2.gz NRCDPLPRKAVJHE-QZTJIDSGSA-N 1 3 315.461 2.034 20 0 DEADHO CC(C)(C[NH3+])CC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000721213666 784256826 /nfs/dbraw/zinc/25/68/26/784256826.db2.gz RGEGKNFUBLGQNO-UHFFFAOYSA-N 1 3 303.450 2.096 20 0 DEADHO CC[N@H+](CC1CC1)[C@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001155612180 784574096 /nfs/dbraw/zinc/57/40/96/784574096.db2.gz QHCDINLTLNXHGE-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@@H+](CC1CC1)[C@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001155612180 784574103 /nfs/dbraw/zinc/57/41/03/784574103.db2.gz QHCDINLTLNXHGE-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCC2CCCC2)C1)N(C)C ZINC000968989231 784681633 /nfs/dbraw/zinc/68/16/33/784681633.db2.gz FPZZQALHZXWBGI-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCc2ccccc2)C1)N(C)C ZINC000968989785 784682606 /nfs/dbraw/zinc/68/26/06/784682606.db2.gz MFTJRRNDGKZXTK-MSOLQXFVSA-N 1 3 317.477 2.006 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1)N(C)C ZINC000969074690 784715405 /nfs/dbraw/zinc/71/54/05/784715405.db2.gz OYALFHQBXPYYKY-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)c(F)c2)C1)N(C)C ZINC000969077456 784716481 /nfs/dbraw/zinc/71/64/81/784716481.db2.gz RXDIAQMGGSRRIR-NVXWUHKLSA-N 1 3 321.440 2.165 20 0 DEADHO [NH3+][C@H]1CCc2nn(-c3ccc(F)c(CN4CCCC4)c3)cc2C1 ZINC001168817010 784916749 /nfs/dbraw/zinc/91/67/49/784916749.db2.gz IEMWNVTXKKQZJG-HNNXBMFYSA-N 1 3 314.408 2.423 20 0 DEADHO C[C@@H]1C[C@H](NCC[C@@H]2CCC[N@@H+]2C)CN1C(=O)OC(C)(C)C ZINC001168818248 784927621 /nfs/dbraw/zinc/92/76/21/784927621.db2.gz RJGNCYBIBNKHLY-ILXRZTDVSA-N 1 3 311.470 2.458 20 0 DEADHO C[C@@H]1C[C@H](NCC[C@@H]2CCC[N@H+]2C)CN1C(=O)OC(C)(C)C ZINC001168818248 784927626 /nfs/dbraw/zinc/92/76/26/784927626.db2.gz RJGNCYBIBNKHLY-ILXRZTDVSA-N 1 3 311.470 2.458 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCN2C)CN1C(=O)OC(C)(C)C ZINC001168818248 784927632 /nfs/dbraw/zinc/92/76/32/784927632.db2.gz RJGNCYBIBNKHLY-ILXRZTDVSA-N 1 3 311.470 2.458 20 0 DEADHO CC(C)N1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001007497845 784935825 /nfs/dbraw/zinc/93/58/25/784935825.db2.gz GBUWJJVVOUTSKK-RDJZCZTQSA-N 1 3 307.482 2.382 20 0 DEADHO CC(C)N1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001007497845 784935828 /nfs/dbraw/zinc/93/58/28/784935828.db2.gz GBUWJJVVOUTSKK-RDJZCZTQSA-N 1 3 307.482 2.382 20 0 DEADHO COC(=O)Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC001169099144 785035202 /nfs/dbraw/zinc/03/52/02/785035202.db2.gz OCTXGMVOAXWUPI-OSYLJGHBSA-N 1 3 302.418 2.117 20 0 DEADHO Cc1cc2c(cc1C[NH2+][C@H]1C[C@H]3CC[C@@H](C1)N3C)OCCO2 ZINC001169079080 785037018 /nfs/dbraw/zinc/03/70/18/785037018.db2.gz IVEKAEBUOIDJMK-MUJYYYPQSA-N 1 3 302.418 2.481 20 0 DEADHO CN(CC[N@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)N2C)C(=O)OC(C)(C)C ZINC001169124843 785047709 /nfs/dbraw/zinc/04/77/09/785047709.db2.gz FGSFQRODFYZAMP-FICVDOATSA-N 1 3 311.470 2.410 20 0 DEADHO CN(CC[N@@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)N2C)C(=O)OC(C)(C)C ZINC001169124843 785047718 /nfs/dbraw/zinc/04/77/18/785047718.db2.gz FGSFQRODFYZAMP-FICVDOATSA-N 1 3 311.470 2.410 20 0 DEADHO CCN1C(=O)CCC12CCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169131344 785049233 /nfs/dbraw/zinc/04/92/33/785049233.db2.gz SHRWRPQQYHBEAH-MUJYYYPQSA-N 1 3 305.466 2.089 20 0 DEADHO CCN1C(=O)CCC12CCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169131344 785049241 /nfs/dbraw/zinc/04/92/41/785049241.db2.gz SHRWRPQQYHBEAH-MUJYYYPQSA-N 1 3 305.466 2.089 20 0 DEADHO CC[C@@H](F)C[NH2+]CCCC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001171236139 791080576 /nfs/dbraw/zinc/08/05/76/791080576.db2.gz LLZROKKPMRRGAT-LSDHHAIUSA-N 1 3 315.477 2.483 20 0 DEADHO CC[NH+]1CCC(N2CCN(CCc3ccccc3)CC2)CC1 ZINC001169258983 785120473 /nfs/dbraw/zinc/12/04/73/785120473.db2.gz XLHABZFTJRKMIR-UHFFFAOYSA-N 1 3 301.478 2.331 20 0 DEADHO CCOC(=O)[C@@H]1CC[C@@H](NC2CC[NH+](C3CCCC3)CC2)CO1 ZINC001169350179 785143461 /nfs/dbraw/zinc/14/34/61/785143461.db2.gz SXGKWIBMYGWKCY-WBVHZDCISA-N 1 3 324.465 2.094 20 0 DEADHO CC(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(N(C)C)CCC1)C2 ZINC001108703803 785494369 /nfs/dbraw/zinc/49/43/69/785494369.db2.gz WAJMXBDVEYNEAY-ULQDDVLXSA-N 1 3 321.509 2.486 20 0 DEADHO CC/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001108768768 785527620 /nfs/dbraw/zinc/52/76/20/785527620.db2.gz GCEDAYVUBMYPOX-RZXAPVBSSA-N 1 3 316.449 2.278 20 0 DEADHO C[C@@H](CCCC[NH2+]CC1CCC1)NC(=O)[C@@H](C1CC1)N(C)C ZINC001171246042 791119407 /nfs/dbraw/zinc/11/94/07/791119407.db2.gz DJFDSRVKUVDWRQ-WMLDXEAASA-N 1 3 309.498 2.391 20 0 DEADHO CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)CN(CC)CC)C2 ZINC001109361540 785821567 /nfs/dbraw/zinc/82/15/67/785821567.db2.gz ZWAHUYJJWXEASG-UGUYLWEFSA-N 1 3 313.461 2.188 20 0 DEADHO CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)CN(CC)CC)C2 ZINC001109361540 785821578 /nfs/dbraw/zinc/82/15/78/785821578.db2.gz ZWAHUYJJWXEASG-UGUYLWEFSA-N 1 3 313.461 2.188 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC=C(C)C ZINC001110017521 786129738 /nfs/dbraw/zinc/12/97/38/786129738.db2.gz AOELKKYOULOGKD-IKGGRYGDSA-N 1 3 307.482 2.406 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC=C(C)C ZINC001110017521 786129741 /nfs/dbraw/zinc/12/97/41/786129741.db2.gz AOELKKYOULOGKD-IKGGRYGDSA-N 1 3 307.482 2.406 20 0 DEADHO CC[C@H](C)CN1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001113722798 786778962 /nfs/dbraw/zinc/77/89/62/786778962.db2.gz CPRKOWSPQNKDPG-KRWDZBQOSA-N 1 3 309.498 2.443 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001015054718 786877558 /nfs/dbraw/zinc/87/75/58/786877558.db2.gz ZGYUQWJTJAZEEM-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001015054718 786877568 /nfs/dbraw/zinc/87/75/68/786877568.db2.gz ZGYUQWJTJAZEEM-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001015393819 787031644 /nfs/dbraw/zinc/03/16/44/787031644.db2.gz WAOSMQIULIZKOE-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001015393819 787031652 /nfs/dbraw/zinc/03/16/52/787031652.db2.gz WAOSMQIULIZKOE-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001114263432 787190928 /nfs/dbraw/zinc/19/09/28/787190928.db2.gz VIBGCMMTSODMIV-YTLFJSGRSA-N 1 3 319.493 2.262 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001114263432 787190932 /nfs/dbraw/zinc/19/09/32/787190932.db2.gz VIBGCMMTSODMIV-YTLFJSGRSA-N 1 3 319.493 2.262 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+]Cc1ccc(Cl)cc1C)N(C)C ZINC001130197409 787313763 /nfs/dbraw/zinc/31/37/63/787313763.db2.gz HYFZKLUUTCBMCB-OAHLLOKOSA-N 1 3 311.857 2.194 20 0 DEADHO COC(=O)[C@@H]1CC[C@H]([NH+]2CCC(N3CCC(F)CC3)CC2)C1 ZINC001170561174 787623720 /nfs/dbraw/zinc/62/37/20/787623720.db2.gz QYYSGJSUGWMYAT-CJNGLKHVSA-N 1 3 312.429 2.226 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(C)C ZINC001097404821 788085999 /nfs/dbraw/zinc/08/59/99/788085999.db2.gz CNLHJVIXMKLPCD-ZJPYXAASSA-N 1 3 321.509 2.484 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(C)C ZINC001097404821 788086006 /nfs/dbraw/zinc/08/60/06/788086006.db2.gz CNLHJVIXMKLPCD-ZJPYXAASSA-N 1 3 321.509 2.484 20 0 DEADHO C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C[NH2+]CCC1CC1 ZINC001132894207 788220893 /nfs/dbraw/zinc/22/08/93/788220893.db2.gz YYZFNNPBQFUDON-WBVHZDCISA-N 1 3 321.509 2.345 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCCF)C1 ZINC001132938766 788232486 /nfs/dbraw/zinc/23/24/86/788232486.db2.gz YZJVNIKKBWSPCL-HUUCEWRRSA-N 1 3 315.477 2.151 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)C1 ZINC001000191548 788336536 /nfs/dbraw/zinc/33/65/36/788336536.db2.gz JTMSNDXFJJOHGF-SJLPKXTDSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001000191450 788336732 /nfs/dbraw/zinc/33/67/32/788336732.db2.gz JAHHVVLLPJALEG-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[NH2+]CCCCc2ccccc2)C1 ZINC001133845434 788638422 /nfs/dbraw/zinc/63/84/22/788638422.db2.gz FUSGXUASCDAVMY-KRWDZBQOSA-N 1 3 317.477 2.057 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001133849977 788641099 /nfs/dbraw/zinc/64/10/99/788641099.db2.gz IPXXFQBPRXVAKX-CRAIPNDOSA-N 1 3 315.461 2.112 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133894030 788661929 /nfs/dbraw/zinc/66/19/29/788661929.db2.gz SUMDDBDTEFQVRZ-UHFFFAOYSA-N 1 3 321.440 2.072 20 0 DEADHO C[C@H]([NH2+]CCNC(=O)CN1CCC(C)(C)C1)c1cccc(F)c1 ZINC001133896714 788663566 /nfs/dbraw/zinc/66/35/66/788663566.db2.gz QEEUSJJTIKQKNN-AWEZNQCLSA-N 1 3 321.440 2.324 20 0 DEADHO CN(CC(=O)NCC[NH2+]Cc1ccc(F)cc1)CC(C)(C)C ZINC001133899411 788669014 /nfs/dbraw/zinc/66/90/14/788669014.db2.gz GJIIMBWHWDDFHR-UHFFFAOYSA-N 1 3 309.429 2.009 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCCCF ZINC001135980841 789581106 /nfs/dbraw/zinc/58/11/06/789581106.db2.gz TVVHOQKCOMKPRK-LSDHHAIUSA-N 1 3 303.466 2.341 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccsc1 ZINC001135979253 789582058 /nfs/dbraw/zinc/58/20/58/789582058.db2.gz DDTYYMCVTJYOJT-KBPBESRZSA-N 1 3 311.495 2.463 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCc1ccccc1 ZINC001135980707 789582337 /nfs/dbraw/zinc/58/23/37/789582337.db2.gz RQXPHXDIHPUYKF-IAGOWNOFSA-N 1 3 319.493 2.444 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)NCc1conc1C ZINC001135992158 789588508 /nfs/dbraw/zinc/58/85/08/789588508.db2.gz QBGMWIJFECUFJE-UONOGXRCSA-N 1 3 324.469 2.088 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)NCc1conc1C ZINC001135992158 789588516 /nfs/dbraw/zinc/58/85/16/789588516.db2.gz QBGMWIJFECUFJE-UONOGXRCSA-N 1 3 324.469 2.088 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1cnc(C)o1 ZINC001135995289 789590178 /nfs/dbraw/zinc/59/01/78/789590178.db2.gz CIILEXTWVSRTAK-ZIAGYGMSSA-N 1 3 324.469 2.088 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1cnc(C)o1 ZINC001135995289 789590184 /nfs/dbraw/zinc/59/01/84/789590184.db2.gz CIILEXTWVSRTAK-ZIAGYGMSSA-N 1 3 324.469 2.088 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccsc1 ZINC001136030758 789601562 /nfs/dbraw/zinc/60/15/62/789601562.db2.gz BOLGJCUWSIXPFN-RYUDHWBXSA-N 1 3 320.462 2.395 20 0 DEADHO CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@@H]1C ZINC001072288666 790106231 /nfs/dbraw/zinc/10/62/31/790106231.db2.gz OWCGVSSCIHNYCA-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1ccncc1C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146594788 791317749 /nfs/dbraw/zinc/31/77/49/791317749.db2.gz UWDXQIAFGWWBOL-HZPDHXFCSA-N 1 3 320.481 2.103 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1 ZINC001146595201 791319442 /nfs/dbraw/zinc/31/94/42/791319442.db2.gz XNSUGHZSLLFYIC-HOTGVXAUSA-N 1 3 305.466 2.400 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1C[NH2+]CC1CCC1 ZINC001075289955 791562530 /nfs/dbraw/zinc/56/25/30/791562530.db2.gz DYHAPESTYMWYSF-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO CC/C=C/CC[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001147773756 791612295 /nfs/dbraw/zinc/61/22/95/791612295.db2.gz MLOSQZUVLZRBRH-KXPUMZMLSA-N 1 3 307.482 2.217 20 0 DEADHO CC/C=C/CC[N@H+]1CCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001147773756 791612300 /nfs/dbraw/zinc/61/23/00/791612300.db2.gz MLOSQZUVLZRBRH-KXPUMZMLSA-N 1 3 307.482 2.217 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC2(C1)CC[N@H+](CC1CCC1)C2 ZINC001147812266 791620913 /nfs/dbraw/zinc/62/09/13/791620913.db2.gz URYGXTVIXSMSOT-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC2(C1)CC[N@@H+](CC1CCC1)C2 ZINC001147812266 791620917 /nfs/dbraw/zinc/62/09/17/791620917.db2.gz URYGXTVIXSMSOT-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO CCCCC[N@@H+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001148285414 791729361 /nfs/dbraw/zinc/72/93/61/791729361.db2.gz QWKJJTKABNAQRD-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO CCCCC[N@H+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001148285414 791729364 /nfs/dbraw/zinc/72/93/64/791729364.db2.gz QWKJJTKABNAQRD-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)CCC[N@@H+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001148284800 791730070 /nfs/dbraw/zinc/73/00/70/791730070.db2.gz DXSFRSFMXUVQFD-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)CCC[N@H+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001148284800 791730075 /nfs/dbraw/zinc/73/00/75/791730075.db2.gz DXSFRSFMXUVQFD-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCN3CCC)C[C@]2(C)C1 ZINC001091716967 791742353 /nfs/dbraw/zinc/74/23/53/791742353.db2.gz ZNGJEDOVBQZTKM-AOIWGVFYSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCN3CCC)C[C@]2(C)C1 ZINC001091716967 791742355 /nfs/dbraw/zinc/74/23/55/791742355.db2.gz ZNGJEDOVBQZTKM-AOIWGVFYSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[C@H](C(=O)NCCC1=CC[N@H+](CC2CC2)CC1)N(C)C ZINC001161133736 791784271 /nfs/dbraw/zinc/78/42/71/791784271.db2.gz OEFDLWFBIGENRI-QGZVFWFLSA-N 1 3 307.482 2.121 20 0 DEADHO CC(C)[C@H](C(=O)NCCC1=CC[N@@H+](CC2CC2)CC1)N(C)C ZINC001161133736 791784276 /nfs/dbraw/zinc/78/42/76/791784276.db2.gz OEFDLWFBIGENRI-QGZVFWFLSA-N 1 3 307.482 2.121 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC2CC2)C[C@H]1C ZINC001093025086 792205627 /nfs/dbraw/zinc/20/56/27/792205627.db2.gz QHZXGCOZXGRIJY-KBAYOESNSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CC2)C[C@H]1C ZINC001093025086 792205638 /nfs/dbraw/zinc/20/56/38/792205638.db2.gz QHZXGCOZXGRIJY-KBAYOESNSA-N 1 3 321.509 2.343 20 0 DEADHO CCC[N@H+]1C[C@@H](CNC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001093223424 792294467 /nfs/dbraw/zinc/29/44/67/792294467.db2.gz YNHCEAMLSQSCAO-CRAIPNDOSA-N 1 3 317.477 2.456 20 0 DEADHO CCC[N@@H+]1C[C@@H](CNC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001093223424 792294477 /nfs/dbraw/zinc/29/44/77/792294477.db2.gz YNHCEAMLSQSCAO-CRAIPNDOSA-N 1 3 317.477 2.456 20 0 DEADHO CC(C)[N@H+]1C[C@@H](CNC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001093223135 792294654 /nfs/dbraw/zinc/29/46/54/792294654.db2.gz UBFCPPACYTXBJM-CRAIPNDOSA-N 1 3 317.477 2.454 20 0 DEADHO CC(C)[N@@H+]1C[C@@H](CNC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001093223135 792294662 /nfs/dbraw/zinc/29/46/62/792294662.db2.gz UBFCPPACYTXBJM-CRAIPNDOSA-N 1 3 317.477 2.454 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC1CC([NH2+]CC2CCCC2)C1 ZINC001100457340 792663512 /nfs/dbraw/zinc/66/35/12/792663512.db2.gz ZACPDBPVDVJKCT-UHFFFAOYSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)[NH2+]C1CC(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001100679774 792784089 /nfs/dbraw/zinc/78/40/89/792784089.db2.gz OAPBFONMECLQBH-KVULBXGLSA-N 1 3 313.461 2.092 20 0 DEADHO CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001094414077 792906506 /nfs/dbraw/zinc/90/65/06/792906506.db2.gz SANIYFGTXBTSOB-JFIYKMOQSA-N 1 3 307.482 2.240 20 0 DEADHO CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001094414077 792906514 /nfs/dbraw/zinc/90/65/14/792906514.db2.gz SANIYFGTXBTSOB-JFIYKMOQSA-N 1 3 307.482 2.240 20 0 DEADHO COC(=O)N1CCC([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171625524 793156261 /nfs/dbraw/zinc/15/62/61/793156261.db2.gz KXMZWFYZRPADLH-UHFFFAOYSA-N 1 3 311.470 2.458 20 0 DEADHO CNC(=O)N[C@H]1CCC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171640987 793172512 /nfs/dbraw/zinc/17/25/12/793172512.db2.gz LJDHLVQZQORDMV-ZDUSSCGKSA-N 1 3 310.486 2.031 20 0 DEADHO CNC(=O)N[C@H]1CCC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171640987 793172515 /nfs/dbraw/zinc/17/25/15/793172515.db2.gz LJDHLVQZQORDMV-ZDUSSCGKSA-N 1 3 310.486 2.031 20 0 DEADHO CN(C)C(=O)CCN[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171964729 793261354 /nfs/dbraw/zinc/26/13/54/793261354.db2.gz HJDOGIYLAFIFLF-KRWDZBQOSA-N 1 3 317.477 2.498 20 0 DEADHO CN(C)C(=O)CCN[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171964729 793261365 /nfs/dbraw/zinc/26/13/65/793261365.db2.gz HJDOGIYLAFIFLF-KRWDZBQOSA-N 1 3 317.477 2.498 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[C@@H](Oc3cnccn3)C1)C2 ZINC001172134067 793323932 /nfs/dbraw/zinc/32/39/32/793323932.db2.gz WTAWEEFKLKAUII-LTIDMASMSA-N 1 3 316.449 2.335 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[C@@H](Oc3cnccn3)C1)C2 ZINC001172134067 793323942 /nfs/dbraw/zinc/32/39/42/793323942.db2.gz WTAWEEFKLKAUII-LTIDMASMSA-N 1 3 316.449 2.335 20 0 DEADHO COCCC[NH+]1CCC(NC[C@H]2CCc3ccccc3O2)CC1 ZINC001172250399 793389643 /nfs/dbraw/zinc/38/96/43/793389643.db2.gz XRMGIXGLADUKDP-GOSISDBHSA-N 1 3 318.461 2.471 20 0 DEADHO C[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102044828 793485329 /nfs/dbraw/zinc/48/53/29/793485329.db2.gz HFMGMXQVSNHLEJ-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102044828 793485336 /nfs/dbraw/zinc/48/53/36/793485336.db2.gz HFMGMXQVSNHLEJ-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)(C)C1)C2 ZINC001094999895 793567380 /nfs/dbraw/zinc/56/73/80/793567380.db2.gz PDHVLRAFBZYFAA-JYJNAYRXSA-N 1 3 307.482 2.096 20 0 DEADHO CC[NH+](CC)C1CCC(N2CC(N3C[C@H](C)O[C@@H](C)C3)C2)CC1 ZINC001173115468 793582509 /nfs/dbraw/zinc/58/25/09/793582509.db2.gz CZCYIKCOYXAFJP-VYMRPNJYSA-N 1 3 323.525 2.433 20 0 DEADHO COc1cccc2c1C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)CO2 ZINC001173163113 793613594 /nfs/dbraw/zinc/61/35/94/793613594.db2.gz KONLEGXKQSYRIK-SOUVJXGZSA-N 1 3 304.434 2.461 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C ZINC001102524938 793639919 /nfs/dbraw/zinc/63/99/19/793639919.db2.gz DTHBGPRJELHARQ-HZPDHXFCSA-N 1 3 311.514 2.449 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C ZINC001102524938 793639923 /nfs/dbraw/zinc/63/99/23/793639923.db2.gz DTHBGPRJELHARQ-HZPDHXFCSA-N 1 3 311.514 2.449 20 0 DEADHO CC[C@@H]1CC[C@H](N2CCC([NH+]3CCC(C(N)=O)CC3)CC2)C1 ZINC001173292759 793661859 /nfs/dbraw/zinc/66/18/59/793661859.db2.gz HSVBVUDZGOMPNZ-PBHICJAKSA-N 1 3 307.482 2.227 20 0 DEADHO CCC[NH2+][C@H]1CCc2c(sc(=N)n2[C@H]2CCN(CC)C2)C1 ZINC001173365718 793705418 /nfs/dbraw/zinc/70/54/18/793705418.db2.gz OJASNYAFGKORRK-STQMWFEESA-N 1 3 308.495 2.153 20 0 DEADHO COC(=O)c1ccc(C[C@H](C)[N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)cc1 ZINC001173724148 793823487 /nfs/dbraw/zinc/82/34/87/793823487.db2.gz UEZUOWCBUAVGTD-QGTPRVQTSA-N 1 3 316.445 2.288 20 0 DEADHO COC(=O)c1ccc(C[C@H](C)[N@H+]2C[C@H]3CCN(C)C[C@H]3C2)cc1 ZINC001173724148 793823495 /nfs/dbraw/zinc/82/34/95/793823495.db2.gz UEZUOWCBUAVGTD-QGTPRVQTSA-N 1 3 316.445 2.288 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]Cc1cccc(Cl)c1 ZINC001174681970 794038636 /nfs/dbraw/zinc/03/86/36/794038636.db2.gz DKKQOSHLOASLOP-UHFFFAOYSA-N 1 3 320.824 2.210 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001103436141 794091795 /nfs/dbraw/zinc/09/17/95/794091795.db2.gz MBKKPKZIZHADKL-RCCFBDPRSA-N 1 3 321.509 2.369 20 0 DEADHO CC(C)=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001103436141 794091803 /nfs/dbraw/zinc/09/18/03/794091803.db2.gz MBKKPKZIZHADKL-RCCFBDPRSA-N 1 3 321.509 2.369 20 0 DEADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](C[C@@H](F)CC)C[C@H]1C ZINC001103663864 794181414 /nfs/dbraw/zinc/18/14/14/794181414.db2.gz YGVJVBYNVDOUQY-OAGGEKHMSA-N 1 3 315.477 2.151 20 0 DEADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](C[C@@H](F)CC)C[C@H]1C ZINC001103663864 794181418 /nfs/dbraw/zinc/18/14/18/794181418.db2.gz YGVJVBYNVDOUQY-OAGGEKHMSA-N 1 3 315.477 2.151 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H](C)CCCCNCc1ocnc1C ZINC001176023846 794335250 /nfs/dbraw/zinc/33/52/50/794335250.db2.gz JZHJAQCRUCQBQH-CQSZACIVSA-N 1 3 324.469 2.089 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CCCCNCc1ocnc1C ZINC001176023846 794335254 /nfs/dbraw/zinc/33/52/54/794335254.db2.gz JZHJAQCRUCQBQH-CQSZACIVSA-N 1 3 324.469 2.089 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1cccnc1 ZINC001176279838 794389554 /nfs/dbraw/zinc/38/95/54/794389554.db2.gz REKIEFVABBTPKB-INIZCTEOSA-N 1 3 320.481 2.188 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1conc1C ZINC001176286808 794390492 /nfs/dbraw/zinc/39/04/92/794390492.db2.gz YDRKWSXZSNWCQR-AWEZNQCLSA-N 1 3 324.469 2.089 20 0 DEADHO CC[C@H](F)C[NH2+]CCCNC(=O)c1ccccc1CN(C)C ZINC001176948154 794539142 /nfs/dbraw/zinc/53/91/42/794539142.db2.gz IQIDZFPTOWIDDM-HNNXBMFYSA-N 1 3 309.429 2.206 20 0 DEADHO CC(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001112399314 794622910 /nfs/dbraw/zinc/62/29/10/794622910.db2.gz NCRGNAQFHQPRAB-SCTDSRPQSA-N 1 3 321.509 2.201 20 0 DEADHO C[C@H](N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C)c1ccccc1F ZINC001179489539 795123892 /nfs/dbraw/zinc/12/38/92/795123892.db2.gz AKIULJQVXNBNEO-ZQIUZPCESA-N 1 3 321.440 2.417 20 0 DEADHO C[C@@H](F)CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H]1C ZINC001179546085 795135034 /nfs/dbraw/zinc/13/50/34/795135034.db2.gz CKAFNDKHXKORAI-ILXRZTDVSA-N 1 3 313.461 2.045 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CCCC2CCC2)[C@@H]1C ZINC001179764324 795174934 /nfs/dbraw/zinc/17/49/34/795174934.db2.gz ZVXVHQCSVCZFHJ-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](F)C[NH2+]CCCCCCNC(=O)CN(CC)CC ZINC001179850432 795188466 /nfs/dbraw/zinc/18/84/66/795188466.db2.gz FEMWYHFDBNBQSI-HNNXBMFYSA-N 1 3 303.466 2.343 20 0 DEADHO CC[C@@H](F)C[NH2+]CCCCCCNC(=O)CN(C)C(C)C ZINC001180369696 795292820 /nfs/dbraw/zinc/29/28/20/795292820.db2.gz SOOLNCXNGGZKNX-OAHLLOKOSA-N 1 3 303.466 2.341 20 0 DEADHO Cc1cc([C@H](N)CC(=O)NC[C@@H]2CCCC[N@H+]2C)cc(Cl)n1 ZINC001122454020 795759658 /nfs/dbraw/zinc/75/96/58/795759658.db2.gz BGMQOPKPLYHDIK-UONOGXRCSA-N 1 3 324.856 2.034 20 0 DEADHO Cc1cc([C@H](N)CC(=O)NC[C@@H]2CCCC[N@@H+]2C)cc(Cl)n1 ZINC001122454020 795759665 /nfs/dbraw/zinc/75/96/65/795759665.db2.gz BGMQOPKPLYHDIK-UONOGXRCSA-N 1 3 324.856 2.034 20 0 DEADHO C[NH+](C)[C@H]1C[C@@H](C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC001183376146 795868982 /nfs/dbraw/zinc/86/89/82/795868982.db2.gz QOUGEAYEFXODEK-KSZLIROESA-N 1 3 315.461 2.280 20 0 DEADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](NCc2ccccc2F)C1 ZINC001183759226 795925885 /nfs/dbraw/zinc/92/58/85/795925885.db2.gz IFZDLCHKYUAVLL-OAHLLOKOSA-N 1 3 321.440 2.247 20 0 DEADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](NCc2ccccc2F)C1 ZINC001183759226 795925887 /nfs/dbraw/zinc/92/58/87/795925887.db2.gz IFZDLCHKYUAVLL-OAHLLOKOSA-N 1 3 321.440 2.247 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001186403882 796398852 /nfs/dbraw/zinc/39/88/52/796398852.db2.gz AGZYXFZZTOUGSF-LOWQCSRCSA-N 1 3 315.889 2.442 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001186451502 796403175 /nfs/dbraw/zinc/40/31/75/796403175.db2.gz GXVWLHBXXPRGFZ-QGZVFWFLSA-N 1 3 303.450 2.027 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001186487748 796407946 /nfs/dbraw/zinc/40/79/46/796407946.db2.gz MEOKNROCLJCRIC-GOSISDBHSA-N 1 3 317.477 2.336 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203030565 796516449 /nfs/dbraw/zinc/51/64/49/796516449.db2.gz ZVCLMHDFDDSLSN-CVEARBPZSA-N 1 3 319.493 2.454 20 0 DEADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001188145929 796632612 /nfs/dbraw/zinc/63/26/12/796632612.db2.gz RLPIQOCZHVJYIN-QGZVFWFLSA-N 1 3 303.450 2.026 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001188158188 796640998 /nfs/dbraw/zinc/64/09/98/796640998.db2.gz GLZCJPWKJZIRTE-DOTOQJQBSA-N 1 3 303.450 2.278 20 0 DEADHO CN(C/C=C/Cl)[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191162992 797149705 /nfs/dbraw/zinc/14/97/05/797149705.db2.gz SSCSSXRCRUKBHT-JBQRSBCVSA-N 1 3 318.808 2.233 20 0 DEADHO CC(C)=CCN(C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001191144542 797153296 /nfs/dbraw/zinc/15/32/96/797153296.db2.gz NSLJISQHVVIALJ-MRXNPFEDSA-N 1 3 305.466 2.114 20 0 DEADHO Cc1cc(F)ccc1CN(C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192172151 797332071 /nfs/dbraw/zinc/33/20/71/797332071.db2.gz ZNPJOJJXBDBCKG-QGZVFWFLSA-N 1 3 321.440 2.119 20 0 DEADHO CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001192354250 797371170 /nfs/dbraw/zinc/37/11/70/797371170.db2.gz KRTYMIWPYOEVOR-MBZYTVFJSA-N 1 3 307.482 2.217 20 0 DEADHO CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001192354250 797371177 /nfs/dbraw/zinc/37/11/77/797371177.db2.gz KRTYMIWPYOEVOR-MBZYTVFJSA-N 1 3 307.482 2.217 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCCF ZINC001153727867 797383239 /nfs/dbraw/zinc/38/32/39/797383239.db2.gz GVPCKOJSSFJIFE-HUUCEWRRSA-N 1 3 301.450 2.047 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCCF ZINC001153727867 797383247 /nfs/dbraw/zinc/38/32/47/797383247.db2.gz GVPCKOJSSFJIFE-HUUCEWRRSA-N 1 3 301.450 2.047 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)CCc2cccs2)C1 ZINC001192948459 797473531 /nfs/dbraw/zinc/47/35/31/797473531.db2.gz STAXBEWJACVULO-HNNXBMFYSA-N 1 3 323.506 2.165 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)CCc2cccs2)C1 ZINC001192948459 797473535 /nfs/dbraw/zinc/47/35/35/797473535.db2.gz STAXBEWJACVULO-HNNXBMFYSA-N 1 3 323.506 2.165 20 0 DEADHO C[N@H+](CCCC1CCC1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194041604 797668979 /nfs/dbraw/zinc/66/89/79/797668979.db2.gz XPXGXGYDHQVKKL-KRWDZBQOSA-N 1 3 307.482 2.195 20 0 DEADHO C[N@@H+](CCCC1CCC1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194041604 797668983 /nfs/dbraw/zinc/66/89/83/797668983.db2.gz XPXGXGYDHQVKKL-KRWDZBQOSA-N 1 3 307.482 2.195 20 0 DEADHO Cc1ccccc1C[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194283444 797709823 /nfs/dbraw/zinc/70/98/23/797709823.db2.gz AZIQZCCCKFBBTK-GOSISDBHSA-N 1 3 317.477 2.368 20 0 DEADHO Cc1ccccc1C[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194283444 797709831 /nfs/dbraw/zinc/70/98/31/797709831.db2.gz AZIQZCCCKFBBTK-GOSISDBHSA-N 1 3 317.477 2.368 20 0 DEADHO CC[N@H+](Cc1ccccc1)[C@H](C)CNC(=O)CN1CCC[C@H]1C ZINC001155226661 797712581 /nfs/dbraw/zinc/71/25/81/797712581.db2.gz MJUQYMPNWLPJQR-IAGOWNOFSA-N 1 3 317.477 2.498 20 0 DEADHO CC[N@@H+](Cc1ccccc1)[C@H](C)CNC(=O)CN1CCC[C@H]1C ZINC001155226661 797712587 /nfs/dbraw/zinc/71/25/87/797712587.db2.gz MJUQYMPNWLPJQR-IAGOWNOFSA-N 1 3 317.477 2.498 20 0 DEADHO c1cnc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)c(CN2CCCC2)c1 ZINC001155635350 797812397 /nfs/dbraw/zinc/81/23/97/797812397.db2.gz JEZPLGVTJVAGRI-AEFFLSMTSA-N 1 3 316.449 2.000 20 0 DEADHO Cc1nc(NCC2(N(C)C)CC[NH+](C)CC2)cc(C(C)C)n1 ZINC001156175976 797938896 /nfs/dbraw/zinc/93/88/96/797938896.db2.gz GKEGZRPAUQJXHC-UHFFFAOYSA-N 1 3 305.470 2.346 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1CCCN(CC[C@@H](C)F)CC1 ZINC001197908253 798258894 /nfs/dbraw/zinc/25/88/94/798258894.db2.gz VALSWVMABYSOQV-OAHLLOKOSA-N 1 3 301.450 2.001 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1CCCN(CC[C@@H](C)F)CC1 ZINC001197908253 798258899 /nfs/dbraw/zinc/25/88/99/798258899.db2.gz VALSWVMABYSOQV-OAHLLOKOSA-N 1 3 301.450 2.001 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1CCCN(CC[C@H](C)F)CC1 ZINC001197908248 798259298 /nfs/dbraw/zinc/25/92/98/798259298.db2.gz VALSWVMABYSOQV-HNNXBMFYSA-N 1 3 301.450 2.001 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1CCCN(CC[C@H](C)F)CC1 ZINC001197908248 798259300 /nfs/dbraw/zinc/25/93/00/798259300.db2.gz VALSWVMABYSOQV-HNNXBMFYSA-N 1 3 301.450 2.001 20 0 DEADHO C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@H](N)C12CC3CC(CC(C3)C1)C2 ZINC001157841797 798290983 /nfs/dbraw/zinc/29/09/83/798290983.db2.gz HTYRZWBJTVWMNA-CJIHGDGISA-N 1 3 319.493 2.116 20 0 DEADHO CC(C)(C)[C@@H](N)C(=O)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158241064 798366525 /nfs/dbraw/zinc/36/65/25/798366525.db2.gz QQNCMMCMQUAKGM-QWRGUYRKSA-N 1 3 321.387 2.035 20 0 DEADHO CC1(C)C[C@@H](Nc2cc3c(nn2)CCNC3)C[C@@](C)(C[NH3+])C1 ZINC001158263337 798370251 /nfs/dbraw/zinc/37/02/51/798370251.db2.gz BNYOGXDVQNXOBM-CXAGYDPISA-N 1 3 303.454 2.078 20 0 DEADHO CN(C)C1(C(=O)NCCC[NH2+]C/C=C\c2ccccc2)CCC1 ZINC001159845833 798617882 /nfs/dbraw/zinc/61/78/82/798617882.db2.gz HVFJIEHUJSRGBA-WDZFZDKYSA-N 1 3 315.461 2.280 20 0 DEADHO CN(C)[C@@H](C(=O)NCCC[NH2+]C/C=C\c1ccccc1)C1CC1 ZINC001159914164 798625041 /nfs/dbraw/zinc/62/50/41/798625041.db2.gz AVQPECPHIFDHFJ-OEPRFQHASA-N 1 3 315.461 2.136 20 0 DEADHO N[C@@H](CC1CCC1)C(=O)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001160697660 798724428 /nfs/dbraw/zinc/72/44/28/798724428.db2.gz CCAGATZUCLRORQ-INIZCTEOSA-N 1 3 313.445 2.172 20 0 DEADHO CC[C@H]1CO[C@@](C)(CCC(C)C)N1C(=O)[C@@H](N)CCCC[NH3+] ZINC001160728395 798730761 /nfs/dbraw/zinc/73/07/61/798730761.db2.gz COSNMQUDGKERLK-ZOBUZTSGSA-N 1 3 313.486 2.233 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC001201320871 798739832 /nfs/dbraw/zinc/73/98/32/798739832.db2.gz ASZZKGYJBPZFNW-UHFFFAOYSA-N 1 3 317.477 2.498 20 0 DEADHO CNC(=O)C[N@@H+]1CCCC12CCN(C[C@H]1CC=CCC1)CC2 ZINC001201409694 798753981 /nfs/dbraw/zinc/75/39/81/798753981.db2.gz XFAFYMDSSUMSGB-INIZCTEOSA-N 1 3 305.466 2.019 20 0 DEADHO CNC(=O)C[N@H+]1CCCC12CCN(C[C@H]1CC=CCC1)CC2 ZINC001201409694 798753984 /nfs/dbraw/zinc/75/39/84/798753984.db2.gz XFAFYMDSSUMSGB-INIZCTEOSA-N 1 3 305.466 2.019 20 0 DEADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[C@@H](N)c1ccc(C(F)(F)F)cc1 ZINC001161530324 798876331 /nfs/dbraw/zinc/87/63/31/798876331.db2.gz VYVLAFWZAVLSED-JIMOISOXSA-N 1 3 315.339 2.043 20 0 DEADHO CCC(CC)C[NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001202495224 798979632 /nfs/dbraw/zinc/97/96/32/798979632.db2.gz AGFWDITZUGBMKY-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO CCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1CCC ZINC001114368184 799072789 /nfs/dbraw/zinc/07/27/89/799072789.db2.gz HFHOFDFGKMTLIG-VVLHAWIVSA-N 1 3 307.482 2.097 20 0 DEADHO CCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1CCC ZINC001114368184 799072795 /nfs/dbraw/zinc/07/27/95/799072795.db2.gz HFHOFDFGKMTLIG-VVLHAWIVSA-N 1 3 307.482 2.097 20 0 DEADHO CCN(CC)CCNC(=[NH2+])Nc1nc(Cl)ncc1SC ZINC001163126016 799253572 /nfs/dbraw/zinc/25/35/72/799253572.db2.gz MYJPFJYMDAYSNG-UHFFFAOYSA-N 1 3 316.862 2.130 20 0 DEADHO CCN(CC)CCNC(=[NH2+])Nc1nc(C2CC2)nc2[nH]ccc21 ZINC001163129562 799254454 /nfs/dbraw/zinc/25/44/54/799254454.db2.gz NYPGTBVWTRTYFI-UHFFFAOYSA-N 1 3 315.425 2.113 20 0 DEADHO c1cc2c(s1)[C@@H](Nc1cc[nH+]c(N3CCOCC3)c1)CNC2 ZINC001163226575 799283345 /nfs/dbraw/zinc/28/33/45/799283345.db2.gz JKNIPUUQXXSWLK-AWEZNQCLSA-N 1 3 316.430 2.236 20 0 DEADHO Cc1c2[nH]cnc2ccc1NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163280155 799298102 /nfs/dbraw/zinc/29/81/02/799298102.db2.gz QZCYJGZFXQNFQG-SUMWQHHRSA-N 1 3 300.406 2.442 20 0 DEADHO COC(=O)c1ccc([C@H]([NH3+])CNc2cc(N(C)C)ccn2)cc1 ZINC001163461517 799350398 /nfs/dbraw/zinc/35/03/98/799350398.db2.gz HJFIBVHNSDZOLL-OAHLLOKOSA-N 1 3 314.389 2.046 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C(C)C ZINC001095668439 799688080 /nfs/dbraw/zinc/68/80/80/799688080.db2.gz OXBNJVGYACEXLY-QZWWFDLISA-N 1 3 307.482 2.237 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C(C)C ZINC001095668439 799688087 /nfs/dbraw/zinc/68/80/87/799688087.db2.gz OXBNJVGYACEXLY-QZWWFDLISA-N 1 3 307.482 2.237 20 0 DEADHO c1ccc(CN2CC(CNc3cnc4c(c3)C[NH2+]CC4)C2)cc1 ZINC001165454547 799733952 /nfs/dbraw/zinc/73/39/52/799733952.db2.gz PFJWYIMOILHRJD-UHFFFAOYSA-N 1 3 308.429 2.271 20 0 DEADHO CN(C)[C@@H](C(=O)NCCC1(C[NH2+]CCC2CC2)CC1)C1CC1 ZINC001165484380 799735862 /nfs/dbraw/zinc/73/58/62/799735862.db2.gz CYDCNVPUUGREHZ-MRXNPFEDSA-N 1 3 307.482 2.003 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166627136 799904795 /nfs/dbraw/zinc/90/47/95/799904795.db2.gz QSGRLPDOBQOTEK-OAHLLOKOSA-N 1 3 321.440 2.214 20 0 DEADHO Cc1cc(C)cc(C[NH2+]CCCNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001166667876 799915349 /nfs/dbraw/zinc/91/53/49/799915349.db2.gz KEEDUCMCJCELCB-OAHLLOKOSA-N 1 3 317.477 2.241 20 0 DEADHO CN(CC(=O)NCCC[NH2+]CCc1ccccc1)CC(C)(C)C ZINC001166744387 799937994 /nfs/dbraw/zinc/93/79/94/799937994.db2.gz ULVMXCWONIWFDJ-UHFFFAOYSA-N 1 3 319.493 2.303 20 0 DEADHO c1n[nH]nc1CN1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001203214339 800021853 /nfs/dbraw/zinc/02/18/53/800021853.db2.gz YBYJOAGNZRQXHW-DLBZAZTESA-N 1 3 311.433 2.149 20 0 DEADHO c1n[nH]nc1CN1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001203214339 800021856 /nfs/dbraw/zinc/02/18/56/800021856.db2.gz YBYJOAGNZRQXHW-DLBZAZTESA-N 1 3 311.433 2.149 20 0 DEADHO c1[nH]nnc1CN1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001203214339 800021859 /nfs/dbraw/zinc/02/18/59/800021859.db2.gz YBYJOAGNZRQXHW-DLBZAZTESA-N 1 3 311.433 2.149 20 0 DEADHO c1[nH]nnc1CN1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001203214339 800021861 /nfs/dbraw/zinc/02/18/61/800021861.db2.gz YBYJOAGNZRQXHW-DLBZAZTESA-N 1 3 311.433 2.149 20 0 DEADHO CC(C)[NH2+][C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C12CCC2 ZINC001203425538 800045759 /nfs/dbraw/zinc/04/57/59/800045759.db2.gz CLEGZSDQEMFUQC-GJZGRUSLSA-N 1 3 309.498 2.390 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC([NH2+]CCCF)CC2)c1 ZINC001203888420 800141084 /nfs/dbraw/zinc/14/10/84/800141084.db2.gz JGYUERHRTCERPT-UHFFFAOYSA-N 1 3 321.440 2.302 20 0 DEADHO C[NH+]1CCC(CN2CCN(Cc3cc(F)ccc3F)CC2)CC1 ZINC001204221574 800191164 /nfs/dbraw/zinc/19/11/64/800191164.db2.gz XEPSWAAPHQNKPQ-UHFFFAOYSA-N 1 3 323.431 2.424 20 0 DEADHO CC[C@H](F)C[NH2+]CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001205490476 800362977 /nfs/dbraw/zinc/36/29/77/800362977.db2.gz IJURLCQIGWXXAJ-HOTGVXAUSA-N 1 3 315.477 2.149 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC(C[NH2+]CC[C@@H](C)F)CC1)N(C)C ZINC001205490375 800363980 /nfs/dbraw/zinc/36/39/80/800363980.db2.gz CLQNFIQEDPRGFY-ZBFHGGJFSA-N 1 3 315.477 2.149 20 0 DEADHO CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CC[C@@H](N)[C@H](F)CC2)c1C ZINC001206167511 800482716 /nfs/dbraw/zinc/48/27/16/800482716.db2.gz ZOMUAIKHNZGBFC-ZIAGYGMSSA-N 1 3 311.401 2.069 20 0 DEADHO CCOC(=O)c1[nH]c(C)c(C[N@H+]2CC[C@@H](N)[C@H](F)CC2)c1C ZINC001206167511 800482718 /nfs/dbraw/zinc/48/27/18/800482718.db2.gz ZOMUAIKHNZGBFC-ZIAGYGMSSA-N 1 3 311.401 2.069 20 0 DEADHO CC(C)NC(=O)c1ccc(C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)cc1 ZINC001206174971 800485414 /nfs/dbraw/zinc/48/54/14/800485414.db2.gz QUBZEJWLGHDEOC-CVEARBPZSA-N 1 3 307.413 2.086 20 0 DEADHO CC(C)NC(=O)c1ccc(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)cc1 ZINC001206174971 800485418 /nfs/dbraw/zinc/48/54/18/800485418.db2.gz QUBZEJWLGHDEOC-CVEARBPZSA-N 1 3 307.413 2.086 20 0 DEADHO CC(C)=CC[NH2+]CC1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001206275132 800500581 /nfs/dbraw/zinc/50/05/81/800500581.db2.gz OCYSFERLXMPJNN-MRXNPFEDSA-N 1 3 307.482 2.265 20 0 DEADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001207757885 800824865 /nfs/dbraw/zinc/82/48/65/800824865.db2.gz OYISSVLBDYELBJ-NVXWUHKLSA-N 1 3 317.477 2.353 20 0 DEADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001207757885 800824868 /nfs/dbraw/zinc/82/48/68/800824868.db2.gz OYISSVLBDYELBJ-NVXWUHKLSA-N 1 3 317.477 2.353 20 0 DEADHO COC(CCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1)OC ZINC000686612838 800846819 /nfs/dbraw/zinc/84/68/19/800846819.db2.gz PGWRLICQCVBAJR-MJGOQNOKSA-N 1 3 318.461 2.449 20 0 DEADHO COC(CCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1)OC ZINC000686612838 800846825 /nfs/dbraw/zinc/84/68/25/800846825.db2.gz PGWRLICQCVBAJR-MJGOQNOKSA-N 1 3 318.461 2.449 20 0 DEADHO Cc1cnc(O[C@H]2CC[N@@H+](CC3(CN(C)C)CCCC3)C2)nc1 ZINC001208188040 800925306 /nfs/dbraw/zinc/92/53/06/800925306.db2.gz FUZWMWINPWMOKF-INIZCTEOSA-N 1 3 318.465 2.360 20 0 DEADHO Cc1cnc(O[C@H]2CC[N@H+](CC3(CN(C)C)CCCC3)C2)nc1 ZINC001208188040 800925310 /nfs/dbraw/zinc/92/53/10/800925310.db2.gz FUZWMWINPWMOKF-INIZCTEOSA-N 1 3 318.465 2.360 20 0 DEADHO CC(=O)N1CC[C@@H](N(CC2(C[NH+](C)C)CCCC2)C(C)C)C1 ZINC001208187459 800925891 /nfs/dbraw/zinc/92/58/91/800925891.db2.gz LISFMXTVQPEIGQ-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C)N(CC)CC ZINC001208574829 801016303 /nfs/dbraw/zinc/01/63/03/801016303.db2.gz GORFQPSWHZHZTB-OIISXLGYSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C)N(CC)CC ZINC001208574829 801016309 /nfs/dbraw/zinc/01/63/09/801016309.db2.gz GORFQPSWHZHZTB-OIISXLGYSA-N 1 3 309.498 2.343 20 0 DEADHO C[N@@H+]1CCC[C@@H](CN2CCN(CCc3ccccc3)CC2)C1 ZINC001208608266 801030502 /nfs/dbraw/zinc/03/05/02/801030502.db2.gz PRQQMUQMMHKSOV-LJQANCHMSA-N 1 3 301.478 2.189 20 0 DEADHO C[N@H+]1CCC[C@@H](CN2CCN(CCc3ccccc3)CC2)C1 ZINC001208608266 801030506 /nfs/dbraw/zinc/03/05/06/801030506.db2.gz PRQQMUQMMHKSOV-LJQANCHMSA-N 1 3 301.478 2.189 20 0 DEADHO COCC[NH+]1CCC2(C[C@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001209211363 801152247 /nfs/dbraw/zinc/15/22/47/801152247.db2.gz YOYIMZMBOXENBH-SFHVURJKSA-N 1 3 318.461 2.388 20 0 DEADHO CC[C@H](C[N@@H+]1CC[C@]2(CCN(C)C2)C1)NC(=O)OC(C)(C)C ZINC001209465511 801196235 /nfs/dbraw/zinc/19/62/35/801196235.db2.gz GRWLWGHCFYERMK-PBHICJAKSA-N 1 3 311.470 2.317 20 0 DEADHO CC[C@H](C[N@H+]1CC[C@]2(CCN(C)C2)C1)NC(=O)OC(C)(C)C ZINC001209465511 801196236 /nfs/dbraw/zinc/19/62/36/801196236.db2.gz GRWLWGHCFYERMK-PBHICJAKSA-N 1 3 311.470 2.317 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](CCCCCF)CC2)C1 ZINC001229185944 801239230 /nfs/dbraw/zinc/23/92/30/801239230.db2.gz QQDXYKBHRHSOPH-OAHLLOKOSA-N 1 3 313.461 2.049 20 0 DEADHO C[C@H](F)CC[NH2+][C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209660307 801248765 /nfs/dbraw/zinc/24/87/65/801248765.db2.gz PJLPNPUZXXRBFE-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001209838809 801293471 /nfs/dbraw/zinc/29/34/71/801293471.db2.gz ZLYGKBOKOIQUGY-RLXIPRIJSA-N 1 3 324.428 2.246 20 0 DEADHO C[C@@H]1CNCC(F)(F)[C@@H]1C[N@@H+]1CCNC[C@@H]1c1ccccc1 ZINC001210194748 801349071 /nfs/dbraw/zinc/34/90/71/801349071.db2.gz ANPCNWJXZCLRSH-FVQBIDKESA-N 1 3 309.404 2.124 20 0 DEADHO C[C@@H]1CNCC(F)(F)[C@@H]1C[N@H+]1CCNC[C@@H]1c1ccccc1 ZINC001210194748 801349082 /nfs/dbraw/zinc/34/90/82/801349082.db2.gz ANPCNWJXZCLRSH-FVQBIDKESA-N 1 3 309.404 2.124 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]([NH2+]CCCF)C2)c1 ZINC001211240962 801536244 /nfs/dbraw/zinc/53/62/44/801536244.db2.gz PWTQENYIQKUNLY-KRWDZBQOSA-N 1 3 321.440 2.302 20 0 DEADHO CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001214855942 801767361 /nfs/dbraw/zinc/76/73/61/801767361.db2.gz RZWCQRMDCVAZTP-QZTFEQQISA-N 1 3 307.482 2.119 20 0 DEADHO CC/C=C/CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001215541070 801873630 /nfs/dbraw/zinc/87/36/30/801873630.db2.gz WMKKYZMMIMTDCH-CGXZTUQUSA-N 1 3 307.482 2.121 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccccc2)C1 ZINC001215989476 801924569 /nfs/dbraw/zinc/92/45/69/801924569.db2.gz DEZKGERSLMRJKQ-SJLPKXTDSA-N 1 3 317.477 2.007 20 0 DEADHO C[C@H](C(=O)Nc1cc([C@H]2CCCN2)no1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001218709879 802230651 /nfs/dbraw/zinc/23/06/51/802230651.db2.gz BQLBQBDACFBWAD-YVECIDJPSA-N 1 3 306.410 2.062 20 0 DEADHO [NH3+]C12CCC(C(=O)Nc3cc([C@@H]4CCCN4)no3)(CC1)CC2 ZINC001218710161 802230894 /nfs/dbraw/zinc/23/08/94/802230894.db2.gz BZAAOKLFGOZQGS-SOISORPOSA-N 1 3 304.394 2.089 20 0 DEADHO Cc1ccc2ccccc2c1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218811745 802244932 /nfs/dbraw/zinc/24/49/32/802244932.db2.gz UKHORTMPDCTUJU-DNVCBOLYSA-N 1 3 309.413 2.286 20 0 DEADHO Cc1cccc(NC(=O)[C@@H](N)CCCC[NH3+])c1Br ZINC001218905111 802257462 /nfs/dbraw/zinc/25/74/62/802257462.db2.gz BLFHBYGDOKXADS-JTQLQIEISA-N 1 3 314.227 2.152 20 0 DEADHO O=C(Nc1ccc([C@H]2CC[NH2+]C2)cc1)c1cncc2c1CCNC2 ZINC001218998141 802273049 /nfs/dbraw/zinc/27/30/49/802273049.db2.gz KCBJPXPZHCXLLW-AWEZNQCLSA-N 1 3 322.412 2.057 20 0 DEADHO CC/C=C\CCN1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001234344738 802358152 /nfs/dbraw/zinc/35/81/52/802358152.db2.gz CCOLKVGWJJOSLU-KKSLTYSGSA-N 1 3 319.493 2.217 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2CCC[C@H](c3ccccc3)N2)C1 ZINC001219649198 802358476 /nfs/dbraw/zinc/35/84/76/802358476.db2.gz GJUXVRPEXZKTOO-IDCNUPLLSA-N 1 3 315.461 2.232 20 0 DEADHO CCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](F)CN(CC)CC ZINC001234643046 802439695 /nfs/dbraw/zinc/43/96/95/802439695.db2.gz LRCJBYOFQNTLBQ-HZPDHXFCSA-N 1 3 315.477 2.389 20 0 DEADHO CCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](F)CN(CC)CC ZINC001234643046 802439700 /nfs/dbraw/zinc/43/97/00/802439700.db2.gz LRCJBYOFQNTLBQ-HZPDHXFCSA-N 1 3 315.477 2.389 20 0 DEADHO CN[C@H](Cc1ccccc1)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC001220332417 802445478 /nfs/dbraw/zinc/44/54/78/802445478.db2.gz LTBBUBAIKMQREI-FUHWJXTLSA-N 1 3 317.477 2.054 20 0 DEADHO Cc1cc([C@H](C)NC(=O)[C@H](N)C2CC[NH2+]CC2)ccc1Cl ZINC001220557727 802474066 /nfs/dbraw/zinc/47/40/66/802474066.db2.gz VBYVCMUNRQHPHO-XHDPSFHLSA-N 1 3 309.841 2.153 20 0 DEADHO C[NH+](C)CCCC(=O)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21 ZINC001221774028 802613349 /nfs/dbraw/zinc/61/33/49/802613349.db2.gz OXDDVRRSAJBLKT-QZTJIDSGSA-N 1 3 319.493 2.361 20 0 DEADHO CC[C@H](C(=O)N1C[C@H]2CC[N@H+](CCC3CC3)C[C@H]21)N(CC)CC ZINC001221811959 802617529 /nfs/dbraw/zinc/61/75/29/802617529.db2.gz QYPGPGYLZDFRKM-KZNAEPCWSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@H](C(=O)N1C[C@H]2CC[N@@H+](CCC3CC3)C[C@H]21)N(CC)CC ZINC001221811959 802617532 /nfs/dbraw/zinc/61/75/32/802617532.db2.gz QYPGPGYLZDFRKM-KZNAEPCWSA-N 1 3 321.509 2.440 20 0 DEADHO [NH3+]CC1(F)CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC001222537797 802702974 /nfs/dbraw/zinc/70/29/74/802702974.db2.gz GGLQKLFPKQGFRV-UHFFFAOYSA-N 1 3 306.360 2.479 20 0 DEADHO CC[C@@H](F)C[NH+]1CCC(CNC(=O)CN(C)C2CCC2)CC1 ZINC001223495484 802795164 /nfs/dbraw/zinc/79/51/64/802795164.db2.gz QXUDOWKYHHACOQ-OAHLLOKOSA-N 1 3 313.461 2.047 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC1CC[NH+](CC[C@H](C)F)CC1 ZINC001223654249 802806545 /nfs/dbraw/zinc/80/65/45/802806545.db2.gz JVPDGXALFFBPQM-AWEZNQCLSA-N 1 3 315.477 2.293 20 0 DEADHO C[NH+](C)CCCC(=O)NCC1CCN(Cc2ccsc2)CC1 ZINC001224269433 802853195 /nfs/dbraw/zinc/85/31/95/802853195.db2.gz SZQUOFPZECEWIY-UHFFFAOYSA-N 1 3 323.506 2.418 20 0 DEADHO CN(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\Cl)C1CC1 ZINC001226801448 803162852 /nfs/dbraw/zinc/16/28/52/803162852.db2.gz XIVFHXREYNQGCZ-XAEGYBNYSA-N 1 3 313.873 2.096 20 0 DEADHO CC/C=C/CC[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001330656817 1149237817 /nfs/dbraw/zinc/23/78/17/1149237817.db2.gz UIACITNGSIWGSE-ANWGSAMYSA-N 1 3 307.482 2.169 20 0 DEADHO C[C@@H](F)CC[N@H+](C)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001418370848 1167601847 /nfs/dbraw/zinc/60/18/47/1167601847.db2.gz DFIJMXMAKOOFMS-GDBMZVCRSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@@H](F)CC[N@@H+](C)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001418370848 1167601852 /nfs/dbraw/zinc/60/18/52/1167601852.db2.gz DFIJMXMAKOOFMS-GDBMZVCRSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@@H](F)CC[N@H+](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001420630928 1169840914 /nfs/dbraw/zinc/84/09/14/1169840914.db2.gz HTQPSKLRRHAGGK-KGLIPLIRSA-N 1 3 303.466 2.149 20 0 DEADHO C[C@@H](F)CC[N@@H+](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001420630928 1169840920 /nfs/dbraw/zinc/84/09/20/1169840920.db2.gz HTQPSKLRRHAGGK-KGLIPLIRSA-N 1 3 303.466 2.149 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1 ZINC001368351082 1148421705 /nfs/dbraw/zinc/42/17/05/1148421705.db2.gz RGTFXORRXVRWPZ-WKILWMFISA-N 1 3 318.465 2.183 20 0 DEADHO CN(CCOCC[NH3+])Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC001331848007 1149723639 /nfs/dbraw/zinc/72/36/39/1149723639.db2.gz VRTUULJIJUSPRN-UHFFFAOYSA-N 1 3 308.813 2.137 20 0 DEADHO CC(C)(C)[C@@]1(C[NH3+])CCN(Cc2cccn(C(F)F)c2=O)C1 ZINC001575114958 1069369640 /nfs/dbraw/zinc/36/96/40/1069369640.db2.gz AQZIDMIHCPRKNQ-MRXNPFEDSA-N 1 3 313.392 2.440 20 0 DEADHO CC(C)(C)OC(=O)N1CCC(CC[NH2+]CC23CC(C2)CN3)CC1 ZINC001575171901 1069386385 /nfs/dbraw/zinc/38/63/85/1069386385.db2.gz HPNITKZVGFNPKD-UHFFFAOYSA-N 1 3 323.481 2.365 20 0 DEADHO CC(C)(C)OC(=O)N1CCN(CC[C@H]2CC[NH2+]C2)C(C)(C)C1 ZINC001575194898 1069389567 /nfs/dbraw/zinc/38/95/67/1069389567.db2.gz HHEUXINTIBHJHN-CQSZACIVSA-N 1 3 311.470 2.317 20 0 DEADHO CC(C)(C)OC(=O)N1C[C@@H]2CN(C[C@H]3CCC[NH2+]C3)C[C@]2(C)C1 ZINC001575207448 1069390626 /nfs/dbraw/zinc/39/06/26/1069390626.db2.gz YUOMKFJXFVVDNW-RLFYNMQTSA-N 1 3 323.481 2.175 20 0 DEADHO C[C@@H](CC[NH+](C)C)C(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC001450689223 1056448207 /nfs/dbraw/zinc/44/82/07/1056448207.db2.gz HVRAYKJBHLFJMA-XJKSGUPXSA-N 1 3 309.429 2.132 20 0 DEADHO CCCN(C(=O)C1C[NH+](C2CCCCC2)C1)[C@@H]1CCN(C)C1 ZINC001452143673 1057015438 /nfs/dbraw/zinc/01/54/38/1057015438.db2.gz AMIRSXAIDVQQHR-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO Cc1cccc(CN2CC[C@@H](NC(=O)[C@@H](C)CC[NH+](C)C)C2)c1 ZINC001454311761 1057478082 /nfs/dbraw/zinc/47/80/82/1057478082.db2.gz KGHGTVOGFYTVPV-FUHWJXTLSA-N 1 3 317.477 2.273 20 0 DEADHO Cc1ccc(-c2nn(C)cc2C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)o1 ZINC001461828833 1058721627 /nfs/dbraw/zinc/72/16/27/1058721627.db2.gz JMMXTIZDOZLKKR-NUEKZKHPSA-N 1 3 314.433 2.418 20 0 DEADHO CN1C[C@@H]2CC[C@@H]([NH2+]C[C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)[C@H]2C1 ZINC001462672921 1058881104 /nfs/dbraw/zinc/88/11/04/1058881104.db2.gz WGSXIECYNVLLAR-ARKGTOAJSA-N 1 3 323.481 2.220 20 0 DEADHO C[NH+](C)CCCC(=O)NCC1(NCc2ccsc2)CCC1 ZINC001501995041 1059847237 /nfs/dbraw/zinc/84/72/37/1059847237.db2.gz TYAAGDZGSNWGPN-UHFFFAOYSA-N 1 3 309.479 2.218 20 0 DEADHO CC(C)[N@H+](C)CCCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001502375213 1060086030 /nfs/dbraw/zinc/08/60/30/1060086030.db2.gz GKDYCQMMRIVGNU-QGZVFWFLSA-N 1 3 315.477 2.388 20 0 DEADHO CC(C)[N@@H+](C)CCCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001502375213 1060086048 /nfs/dbraw/zinc/08/60/48/1060086048.db2.gz GKDYCQMMRIVGNU-QGZVFWFLSA-N 1 3 315.477 2.388 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)NCc1cc(C)ccc1F ZINC001505724956 1060904978 /nfs/dbraw/zinc/90/49/78/1060904978.db2.gz NLRUNULTQARMCP-GJZGRUSLSA-N 1 3 323.456 2.459 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H](C)NCc1cc(C)ccc1F ZINC001505724956 1060904994 /nfs/dbraw/zinc/90/49/94/1060904994.db2.gz NLRUNULTQARMCP-GJZGRUSLSA-N 1 3 323.456 2.459 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001505734044 1060914386 /nfs/dbraw/zinc/91/43/86/1060914386.db2.gz BYHROQWYTHVXTE-ZIAGYGMSSA-N 1 3 309.429 2.150 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CC1CCCC1 ZINC001505918068 1061133268 /nfs/dbraw/zinc/13/32/68/1061133268.db2.gz FQRAUXITADAGRS-RDJZCZTQSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CC1CCCC1 ZINC001505918068 1061133278 /nfs/dbraw/zinc/13/32/78/1061133278.db2.gz FQRAUXITADAGRS-RDJZCZTQSA-N 1 3 309.498 2.486 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NC/C=C\C3CC3)CC2)CC1 ZINC001329084055 1148863328 /nfs/dbraw/zinc/86/33/28/1148863328.db2.gz IQNLDXHOSWACEU-ARJAWSKDSA-N 1 3 319.493 2.265 20 0 DEADHO C[C@@H](NC(=O)CN(C)C1CCC1)C1C[NH+](CCCC2CCC2)C1 ZINC001506625579 1062206811 /nfs/dbraw/zinc/20/68/11/1062206811.db2.gz CQYWTKNTEQVGLD-OAHLLOKOSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)CC1(C)C)N1CCCC1 ZINC001506753078 1062367938 /nfs/dbraw/zinc/36/79/38/1062367938.db2.gz NBSPLLINIMXCLG-CVEARBPZSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](C(C)C)CC1(C)C)N1CCCC1 ZINC001506753078 1062367957 /nfs/dbraw/zinc/36/79/57/1062367957.db2.gz NBSPLLINIMXCLG-CVEARBPZSA-N 1 3 309.498 2.342 20 0 DEADHO CCc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001480145506 1062383543 /nfs/dbraw/zinc/38/35/43/1062383543.db2.gz YVHPYYYWGCBXOJ-KZNAEPCWSA-N 1 3 317.477 2.326 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]2C[N@H+](CC3CC3)CC[C@H]21 ZINC001480187411 1062439535 /nfs/dbraw/zinc/43/95/35/1062439535.db2.gz CEUBJQSOPDOKFK-IAGOWNOFSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]2C[N@@H+](CC3CC3)CC[C@H]21 ZINC001480187411 1062439547 /nfs/dbraw/zinc/43/95/47/1062439547.db2.gz CEUBJQSOPDOKFK-IAGOWNOFSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001480237550 1062501628 /nfs/dbraw/zinc/50/16/28/1062501628.db2.gz CNHUYFXIYHIRKH-RRQGHBQHSA-N 1 3 321.440 2.464 20 0 DEADHO CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001480380910 1062758030 /nfs/dbraw/zinc/75/80/30/1062758030.db2.gz ZDYOGIXAJNLYHB-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001480380910 1062758055 /nfs/dbraw/zinc/75/80/55/1062758055.db2.gz ZDYOGIXAJNLYHB-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC1CCC([NH2+]CCCF)CC1 ZINC001480403153 1062809131 /nfs/dbraw/zinc/80/91/31/1062809131.db2.gz MFHXZNSMTKTAGU-UYSNPLJNSA-N 1 3 313.461 2.237 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+][C@H](C)CNC(=O)CN(C)C(C)C ZINC001480597342 1063088853 /nfs/dbraw/zinc/08/88/53/1063088853.db2.gz PJXAGFXTWIPTSO-CVEARBPZSA-N 1 3 305.466 2.491 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C[C@H]1C ZINC001507326769 1063102333 /nfs/dbraw/zinc/10/23/33/1063102333.db2.gz GPDYEVUOEZIBLG-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001480665441 1063158742 /nfs/dbraw/zinc/15/87/42/1063158742.db2.gz LPLKRPBYRCNHQW-CVEARBPZSA-N 1 3 311.514 2.449 20 0 DEADHO CCC[NH2+]C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001480680360 1063178540 /nfs/dbraw/zinc/17/85/40/1063178540.db2.gz KKFUDBYGCBUNPG-MRXNPFEDSA-N 1 3 303.450 2.210 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C1CC[NH+](CC[C@@H](C)F)CC1 ZINC001508091783 1063550205 /nfs/dbraw/zinc/55/02/05/1063550205.db2.gz PMVNHVCESGCUSB-CABCVRRESA-N 1 3 315.477 2.291 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1CC[N@H+](CC2CC2)C1)N1CCCCCC1 ZINC001493240939 1063665574 /nfs/dbraw/zinc/66/55/74/1063665574.db2.gz PQVONJZOCXIJSD-DOTOQJQBSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1CC[N@@H+](CC2CC2)C1)N1CCCCCC1 ZINC001493240939 1063665582 /nfs/dbraw/zinc/66/55/82/1063665582.db2.gz PQVONJZOCXIJSD-DOTOQJQBSA-N 1 3 307.482 2.099 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)NCCN(CC2=CCCCC2)C2CC2)C1 ZINC001493446331 1063798404 /nfs/dbraw/zinc/79/84/04/1063798404.db2.gz ZHMNFSHWSBHPEG-MRXNPFEDSA-N 1 3 305.466 2.019 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)NCCN(CC2=CCCCC2)C2CC2)C1 ZINC001493446331 1063798420 /nfs/dbraw/zinc/79/84/20/1063798420.db2.gz ZHMNFSHWSBHPEG-MRXNPFEDSA-N 1 3 305.466 2.019 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@@H]1CC[N@H+](CCC2CC2)C1)N(C)C ZINC001494047990 1064101600 /nfs/dbraw/zinc/10/16/00/1064101600.db2.gz LQZCLNWZDNQKCV-IAGOWNOFSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@@H]1CC[N@@H+](CCC2CC2)C1)N(C)C ZINC001494047990 1064101604 /nfs/dbraw/zinc/10/16/04/1064101604.db2.gz LQZCLNWZDNQKCV-IAGOWNOFSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)C[NH2+]C/C=C\Cl ZINC001568171967 1064681390 /nfs/dbraw/zinc/68/13/90/1064681390.db2.gz LFQJHIIFWGDNHG-WBTMPAOCSA-N 1 3 315.889 2.345 20 0 DEADHO CCCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001568248220 1064728129 /nfs/dbraw/zinc/72/81/29/1064728129.db2.gz GPVYNZALXFGWRV-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]C(C)C)C1 ZINC001495394169 1064878858 /nfs/dbraw/zinc/87/88/58/1064878858.db2.gz VYQNCAMTCUHSEH-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CC2CCCC2)CC1 ZINC001495404360 1064884389 /nfs/dbraw/zinc/88/43/89/1064884389.db2.gz VQZGQDFLMGMDFX-SFHVURJKSA-N 1 3 321.509 2.489 20 0 DEADHO CCCC[NH+]1CCC(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001495521451 1064963303 /nfs/dbraw/zinc/96/33/03/1064963303.db2.gz VQGZJXADMKPEFH-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CC[NH2+]CCc1cccs1 ZINC001568703567 1065063961 /nfs/dbraw/zinc/06/39/61/1065063961.db2.gz PTUGBJTZEPIHOZ-GFCCVEGCSA-N 1 3 320.462 2.049 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]CCC1CCCC1 ZINC001495743117 1065088032 /nfs/dbraw/zinc/08/80/32/1065088032.db2.gz MKVKEMLBGXVERN-CVEARBPZSA-N 1 3 309.498 2.250 20 0 DEADHO CN1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCCC1CCCC1 ZINC001568826995 1065142482 /nfs/dbraw/zinc/14/24/82/1065142482.db2.gz JRNPHURZXXWSAA-CHYADLBTSA-N 1 3 307.482 2.313 20 0 DEADHO Cc1cccc(C[NH2+]C/C=C\CNC(=O)C2(N(C)C)CCC2)c1 ZINC001568861985 1065162919 /nfs/dbraw/zinc/16/29/19/1065162919.db2.gz CQRJZEFHBMNZDA-PLNGDYQASA-N 1 3 315.461 2.241 20 0 DEADHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@@H]1CCc2ccccc21 ZINC001568898401 1065178980 /nfs/dbraw/zinc/17/89/80/1065178980.db2.gz LOKWBMKDWNJSKO-IFOCYFHOSA-N 1 3 313.445 2.030 20 0 DEADHO C[C@H](C[NH2+]CC[C@H](C)F)NC(=O)c1cccc(CN(C)C)c1 ZINC001569038687 1065252451 /nfs/dbraw/zinc/25/24/51/1065252451.db2.gz PKGUGWDMLDDXPR-UONOGXRCSA-N 1 3 309.429 2.204 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@H](C)N(C)C(=O)CN(C)CC(C)(C)C ZINC001496153636 1065311500 /nfs/dbraw/zinc/31/15/00/1065311500.db2.gz JCLTWGNRFHBCKS-KBPBESRZSA-N 1 3 303.466 2.149 20 0 DEADHO C[C@H](C[NH2+][C@H](C)c1ccccc1)N(C)C(=O)Cc1c[nH]cn1 ZINC001496172778 1065322581 /nfs/dbraw/zinc/32/25/81/1065322581.db2.gz YYUDZPLRVQUALO-ZIAGYGMSSA-N 1 3 300.406 2.150 20 0 DEADHO CC/C=C/CCN1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001569359726 1065454732 /nfs/dbraw/zinc/45/47/32/1065454732.db2.gz LIHCWIGZHMSDIW-JOTZZJAKSA-N 1 3 307.482 2.264 20 0 DEADHO CC/C=C/CCN1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001569359726 1065454742 /nfs/dbraw/zinc/45/47/42/1065454742.db2.gz LIHCWIGZHMSDIW-JOTZZJAKSA-N 1 3 307.482 2.264 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001569562340 1065595671 /nfs/dbraw/zinc/59/56/71/1065595671.db2.gz LDQLCNSKCRXALG-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CC[NH+](CC)CCSCC(=O)N[C@H]1CCCN(C(C)C)C1 ZINC001624765169 1078229565 /nfs/dbraw/zinc/22/95/65/1078229565.db2.gz LDYMFMZXFONKRZ-HNNXBMFYSA-N 1 3 315.527 2.050 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C[NH2+]C/C=C/Cl)C1CCCC1)N(C)C ZINC001569611093 1065622378 /nfs/dbraw/zinc/62/23/78/1065622378.db2.gz QBANGNJWBJGCHD-AEOIHIIDSA-N 1 3 315.889 2.344 20 0 DEADHO Cc1cc(C)cc(C[N@@H+](C)CCN(C)C(=O)CN2CCCC2)c1 ZINC001496835430 1065744648 /nfs/dbraw/zinc/74/46/48/1065744648.db2.gz JSEKECYMXDVSED-UHFFFAOYSA-N 1 3 317.477 2.289 20 0 DEADHO Cc1cc(C)cc(C[N@H+](C)CCN(C)C(=O)CN2CCCC2)c1 ZINC001496835430 1065744661 /nfs/dbraw/zinc/74/46/61/1065744661.db2.gz JSEKECYMXDVSED-UHFFFAOYSA-N 1 3 317.477 2.289 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C/C=C/Cl)C1 ZINC001496867807 1065765550 /nfs/dbraw/zinc/76/55/50/1065765550.db2.gz MBKUGWCXDUMLCG-SJPZSHDVSA-N 1 3 313.873 2.002 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C/C=C/Cl)C1 ZINC001496867807 1065765561 /nfs/dbraw/zinc/76/55/61/1065765561.db2.gz MBKUGWCXDUMLCG-SJPZSHDVSA-N 1 3 313.873 2.002 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H](CC[NH2+]CCC2CC2)C1)N(C)C ZINC001570015157 1065883802 /nfs/dbraw/zinc/88/38/02/1065883802.db2.gz HGUSUOFSOWDUHA-DLBZAZTESA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001484338777 1079548239 /nfs/dbraw/zinc/54/82/39/1079548239.db2.gz OQUDQSJYVXRJMG-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO CC1CCN(CC(=O)NC/C=C\C[NH2+]Cc2ccsc2)CC1 ZINC001497714628 1066259304 /nfs/dbraw/zinc/25/93/04/1066259304.db2.gz OHSZQTPFVMLKEM-IHWYPQMZSA-N 1 3 321.490 2.242 20 0 DEADHO CC(C)[C@@H]1CN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CCN1 ZINC001575507960 1066326991 /nfs/dbraw/zinc/32/69/91/1066326991.db2.gz NSSCFJIUYWDRGL-HOTGVXAUSA-N 1 3 303.450 2.169 20 0 DEADHO CC(C)C[NH2+]CC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC001575604226 1066370098 /nfs/dbraw/zinc/37/00/98/1066370098.db2.gz UORXVDOBMMMPHJ-AWEZNQCLSA-N 1 3 309.479 2.247 20 0 DEADHO Cc1cccc(Cl)c1CNC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001497898519 1066403382 /nfs/dbraw/zinc/40/33/82/1066403382.db2.gz AHQRNXPBZIEDAW-CYBMUJFWSA-N 1 3 311.857 2.194 20 0 DEADHO C[C@H](CCN)[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001575962044 1066467118 /nfs/dbraw/zinc/46/71/18/1066467118.db2.gz JVZFLRAYYQLTEQ-LXTVHRRPSA-N 1 3 311.470 2.349 20 0 DEADHO C[C@H](CCN)[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001575962041 1066467274 /nfs/dbraw/zinc/46/72/74/1066467274.db2.gz JVZFLRAYYQLTEQ-APIJFGDWSA-N 1 3 311.470 2.349 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)NC(=O)CN(C)C(C)C)cc1F ZINC001498196895 1066550752 /nfs/dbraw/zinc/55/07/52/1066550752.db2.gz AUUWOBFFAQBQQJ-AWEZNQCLSA-N 1 3 309.429 2.069 20 0 DEADHO CC(C)(C)OC(=O)N1C[C@H]2CN(C[C@]3(C)CCC[NH2+]C3)C[C@H]2C1 ZINC001576502911 1066623351 /nfs/dbraw/zinc/62/33/51/1066623351.db2.gz JBCRQNLDYWJFQH-RVKKMQEKSA-N 1 3 323.481 2.175 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CNCCO2)CCN1Cc1ccccc1 ZINC001576622392 1066647543 /nfs/dbraw/zinc/64/75/43/1066647543.db2.gz DBCLNAPMHKIVKX-QRQLOZEOSA-N 1 3 317.477 2.008 20 0 DEADHO C[C@H]1CCN(CCc2ccc3c(c2)OC(F)(F)O3)C[C@H]1C[NH3+] ZINC001576731712 1066674311 /nfs/dbraw/zinc/67/43/11/1066674311.db2.gz NHITXHDJAZNFCP-WCQYABFASA-N 1 3 312.360 2.467 20 0 DEADHO C[C@@H](CN(C)Cc1cccc(Cl)c1)NC(=O)CC[NH+](C)C ZINC001498394111 1066676952 /nfs/dbraw/zinc/67/69/52/1066676952.db2.gz JMWDHQYFYNHCNF-ZDUSSCGKSA-N 1 3 311.857 2.228 20 0 DEADHO CC(C)=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cc1nc[nH]c1C ZINC001498495987 1066745224 /nfs/dbraw/zinc/74/52/24/1066745224.db2.gz DAOKFRBWTGNEDP-CVEARBPZSA-N 1 3 318.465 2.491 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001498505501 1066750540 /nfs/dbraw/zinc/75/05/40/1066750540.db2.gz SAEILCZLUNFZHF-IAGOWNOFSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN[C@@H](C)[C@@H]2C)C1 ZINC001577260541 1066799374 /nfs/dbraw/zinc/79/93/74/1066799374.db2.gz RRMNWWSCZULOSC-HRCADAONSA-N 1 3 324.513 2.279 20 0 DEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN[C@@H](C)[C@@H]2C)C1 ZINC001577260541 1066799380 /nfs/dbraw/zinc/79/93/80/1066799380.db2.gz RRMNWWSCZULOSC-HRCADAONSA-N 1 3 324.513 2.279 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN[C@H](C)[C@H]1C ZINC001577458055 1066847170 /nfs/dbraw/zinc/84/71/70/1066847170.db2.gz QXTGEQISJAKQCQ-BZUAXINKSA-N 1 3 310.486 2.033 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN[C@H](C)[C@H]1C ZINC001577458055 1066847175 /nfs/dbraw/zinc/84/71/75/1066847175.db2.gz QXTGEQISJAKQCQ-BZUAXINKSA-N 1 3 310.486 2.033 20 0 DEADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCN1[C@H]1CCc2ccccc21 ZINC001499048006 1067053427 /nfs/dbraw/zinc/05/34/27/1067053427.db2.gz NIYAPXJXUHTPPM-WMZOPIPTSA-N 1 3 315.461 2.206 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)c1 ZINC001578421648 1067094252 /nfs/dbraw/zinc/09/42/52/1067094252.db2.gz WYFUUIQSNMKENF-GOSISDBHSA-N 1 3 301.434 2.106 20 0 DEADHO CN(C(=O)N[C@@H](CCC[NH3+])c1ccccc1)[C@@H]1CCCN(C)C1 ZINC001578528509 1067125296 /nfs/dbraw/zinc/12/52/96/1067125296.db2.gz HGARZUKHNGUPQL-SJORKVTESA-N 1 3 318.465 2.202 20 0 DEADHO CN(C(=O)[C@H]1CCCCC12CC[NH2+]CC2)[C@@H]1CCCN(C)C1 ZINC001578528447 1067125400 /nfs/dbraw/zinc/12/54/00/1067125400.db2.gz GLNOKUWUDUKKTC-HZPDHXFCSA-N 1 3 307.482 2.099 20 0 DEADHO COCCOC[C@@H](C)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC001579055821 1067227352 /nfs/dbraw/zinc/22/73/52/1067227352.db2.gz HELHHYYOGULWSK-UWWQBHOKSA-N 1 3 324.440 2.160 20 0 DEADHO COCCOCc1ccc(CN2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC001579074017 1067230168 /nfs/dbraw/zinc/23/01/68/1067230168.db2.gz QZOFWXNHBQIATH-MAUKXSAKSA-N 1 3 306.450 2.409 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H]1CN(C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC001579454425 1067346138 /nfs/dbraw/zinc/34/61/38/1067346138.db2.gz BDEXCDNYDJQNQE-KGLIPLIRSA-N 1 3 313.486 2.325 20 0 DEADHO Cc1cc(CN2CCC([C@H]3[NH2+]CC34CCC4)CC2)c(C)nn1 ZINC001579598442 1067381872 /nfs/dbraw/zinc/38/18/72/1067381872.db2.gz WHBKAUFFSQLEPX-QGZVFWFLSA-N 1 3 300.450 2.448 20 0 DEADHO Cc1cccc(CC2(O)CCN(C[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC001579759290 1067417991 /nfs/dbraw/zinc/41/79/91/1067417991.db2.gz CAMKKIWYNDQFKG-GOSISDBHSA-N 1 3 302.462 2.364 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CC2CC2)CCC1 ZINC001483438433 1078534082 /nfs/dbraw/zinc/53/40/82/1078534082.db2.gz SXBBKYHPCUNFBM-CVEARBPZSA-N 1 3 307.482 2.145 20 0 DEADHO Fc1ccc(C2(NC[C@H]3CCC4(C[NH2+]C4)O3)CCC2)c(F)c1 ZINC001580029236 1067474830 /nfs/dbraw/zinc/47/48/30/1067474830.db2.gz IBKDBIPRWWGDEQ-CYBMUJFWSA-N 1 3 308.372 2.455 20 0 DEADHO FC1(c2ccccn2)CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC001580028495 1067475255 /nfs/dbraw/zinc/47/52/55/1067475255.db2.gz ZLAYSXCLDDIKID-WBVHZDCISA-N 1 3 319.424 2.111 20 0 DEADHO C[NH2+][C@@]12CC[C@@](NC(=O)[C@@H]3CCCN3CC3CC3)(C1)CCC2 ZINC001272291432 1078789892 /nfs/dbraw/zinc/78/98/92/1078789892.db2.gz ATHKUPAELFXPAB-RYQLBKOJSA-N 1 3 305.466 2.042 20 0 DEADHO C[C@]1(Cc2ccccc2F)CCC[N@@H+]1C[C@@]1(O)CCCNC1 ZINC001573622147 1069052527 /nfs/dbraw/zinc/05/25/27/1069052527.db2.gz HWBKUVBZZUZMCV-QZTJIDSGSA-N 1 3 306.425 2.337 20 0 DEADHO C[C@]1(Cc2ccccc2F)CCC[N@H+]1C[C@@]1(O)CCCNC1 ZINC001573622147 1069052531 /nfs/dbraw/zinc/05/25/31/1069052531.db2.gz HWBKUVBZZUZMCV-QZTJIDSGSA-N 1 3 306.425 2.337 20 0 DEADHO C[C@]1(Cc2ccccc2F)CCCN1C[C@@]1(O)CCC[NH2+]C1 ZINC001573622147 1069052532 /nfs/dbraw/zinc/05/25/32/1069052532.db2.gz HWBKUVBZZUZMCV-QZTJIDSGSA-N 1 3 306.425 2.337 20 0 DEADHO CC[C@@H]1CN(C(=O)NCC(C)(C)C[NH+]2CCCC2)[C@@H](CC)CN1 ZINC001573718582 1069078925 /nfs/dbraw/zinc/07/89/25/1069078925.db2.gz LKQXICCWIJRCFZ-CVEARBPZSA-N 1 3 324.513 2.280 20 0 DEADHO CCCN(C)[C@H](CNC(=O)[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC001573750884 1069094373 /nfs/dbraw/zinc/09/43/73/1069094373.db2.gz LECVQHIEXCEDLV-GDBMZVCRSA-N 1 3 323.868 2.449 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[NH2+]Cc1c(C)cccc1C)N(C)C ZINC001267430147 1078850056 /nfs/dbraw/zinc/85/00/56/1078850056.db2.gz LIBHNHNPRRVLNE-KRWDZBQOSA-N 1 3 305.466 2.192 20 0 DEADHO CC[C@H](C)C[NH+]1CCC2(CCC(=O)N(CCN(C)C)C2)CC1 ZINC001272420921 1078860012 /nfs/dbraw/zinc/86/00/12/1078860012.db2.gz MIXUWJHZMYQEHC-INIZCTEOSA-N 1 3 309.498 2.299 20 0 DEADHO O[C@@]1(C[NH+]2CCC(Cc3cccc(F)c3F)CC2)CCCNC1 ZINC001574440308 1069226671 /nfs/dbraw/zinc/22/66/71/1069226671.db2.gz BFFMXCQXNRDASE-SFHVURJKSA-N 1 3 324.415 2.334 20 0 DEADHO COc1cc(C[NH2+]CC(C)(C)CN(C)C)cc(OC)c1OC ZINC000060816727 1078877448 /nfs/dbraw/zinc/87/74/48/1078877448.db2.gz KZRUYRBHQTXZFH-UHFFFAOYSA-N 1 3 310.438 2.390 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H](CC[NH2+]C/C=C/Cl)C1)N(C)C ZINC001272465441 1078899272 /nfs/dbraw/zinc/89/92/72/1078899272.db2.gz GLMVZGFVSUBIBM-QKNOVVFDSA-N 1 3 315.889 2.153 20 0 DEADHO NC[C@@]12CCC[C@H]1C[N@H+](CCC(=O)NCC1CCCCC1)C2 ZINC001549115456 1073029208 /nfs/dbraw/zinc/02/92/08/1073029208.db2.gz GNFNWOWYOGLIHT-FUHWJXTLSA-N 1 3 307.482 2.134 20 0 DEADHO NC[C@@]12CCC[C@H]1C[N@@H+](CCC(=O)NCC1CCCCC1)C2 ZINC001549115456 1073029220 /nfs/dbraw/zinc/02/92/20/1073029220.db2.gz GNFNWOWYOGLIHT-FUHWJXTLSA-N 1 3 307.482 2.134 20 0 DEADHO CC(C)C[C@@H]([NH3+])CC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC001649027972 1079047230 /nfs/dbraw/zinc/04/72/30/1079047230.db2.gz DAVPYRSOGWQSNH-ZBFHGGJFSA-N 1 3 305.422 2.050 20 0 DEADHO O=C(C[C@H]1NCc2ccccc21)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001550231843 1073522735 /nfs/dbraw/zinc/52/27/35/1073522735.db2.gz UJGCEZJCUHGUCM-IEBWSBKVSA-N 1 3 313.445 2.213 20 0 DEADHO CN(CC[NH2+]CC1CCC1)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001649439933 1079120274 /nfs/dbraw/zinc/12/02/74/1079120274.db2.gz KSKGKADKRAQPLO-QGZVFWFLSA-N 1 3 313.461 2.047 20 0 DEADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3scnc3C)C2)[C@@H]1C(C)C ZINC001550424231 1073651424 /nfs/dbraw/zinc/65/14/24/1073651424.db2.gz ZYZSRZREIWQTES-OTRWWLKZSA-N 1 3 323.506 2.411 20 0 DEADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3scnc3C)C2)[C@@H]1C(C)C ZINC001550424231 1073651427 /nfs/dbraw/zinc/65/14/27/1073651427.db2.gz ZYZSRZREIWQTES-OTRWWLKZSA-N 1 3 323.506 2.411 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CC1)N1CCCCC1 ZINC001481071456 1079151115 /nfs/dbraw/zinc/15/11/15/1079151115.db2.gz QQLVFJGEBCYIMU-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CC1)N1CCCCC1 ZINC001481071456 1079151119 /nfs/dbraw/zinc/15/11/19/1079151119.db2.gz QQLVFJGEBCYIMU-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001649696027 1079159103 /nfs/dbraw/zinc/15/91/03/1079159103.db2.gz AICZXKFBKMAYMH-IRXDYDNUSA-N 1 3 307.482 2.338 20 0 DEADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3conc3C3CC3)CC2)C1 ZINC001550703982 1073814186 /nfs/dbraw/zinc/81/41/86/1073814186.db2.gz VRBRMUKSHYAOHW-JKSUJKDBSA-N 1 3 305.422 2.270 20 0 DEADHO C[NH+](C)CCCC(=O)N1CCC[C@H]1CNCC=C(Cl)Cl ZINC001483941922 1079199643 /nfs/dbraw/zinc/19/96/43/1079199643.db2.gz HGYKXPMAFUPUFY-LBPRGKRZSA-N 1 3 322.280 2.228 20 0 DEADHO C[C@H](O)c1ncc(CN2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)s1 ZINC001551260322 1074138517 /nfs/dbraw/zinc/13/85/17/1074138517.db2.gz JZZLNMTVMVMPGE-XDQVBPFNSA-N 1 3 309.479 2.359 20 0 DEADHO COc1nccc(CN2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c1F ZINC001551262316 1074139503 /nfs/dbraw/zinc/13/95/03/1074139503.db2.gz ROIUBDVNPWEXEX-AEGPPILISA-N 1 3 307.413 2.391 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@@]23CCC[C@@H]2C[NH2+]C3)c1 ZINC001551309361 1074158066 /nfs/dbraw/zinc/15/80/66/1074158066.db2.gz QSWQIFUPFDRDBG-RHSMWYFYSA-N 1 3 302.422 2.012 20 0 DEADHO CC[C@@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)[C@@H]1CCOC1 ZINC001551387495 1074200147 /nfs/dbraw/zinc/20/01/47/1074200147.db2.gz BNQCHTRCMMWSNZ-RZZCCWGQSA-N 1 3 310.482 2.425 20 0 DEADHO Cc1cc([C@@H](C)[NH2+]C2CCC(C)(N3CCOCC3)CC2)n(C)n1 ZINC001551400136 1074206005 /nfs/dbraw/zinc/20/60/05/1074206005.db2.gz NEEVCXUBQUMVHW-KLHKWILBSA-N 1 3 320.481 2.413 20 0 DEADHO CCn1cc([C@@H]2OCC[C@@H]2C[NH2+][C@H]2CCC[C@@H](N(C)C)C2)cn1 ZINC001552380436 1074560136 /nfs/dbraw/zinc/56/01/36/1074560136.db2.gz MTSWIXQVPIMJHR-BZZMCLGOSA-N 1 3 320.481 2.443 20 0 DEADHO CC1(C)CC(C[NH2+]C[C@@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001484115811 1079310012 /nfs/dbraw/zinc/31/00/12/1079310012.db2.gz XDWDORMDHKYTJD-GOSISDBHSA-N 1 3 318.465 2.217 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H](C)NC/C=C/Cl)CC1 ZINC001369279997 1148890228 /nfs/dbraw/zinc/89/02/28/1148890228.db2.gz BLMKYUOALGZFII-LHRNQBEKSA-N 1 3 315.889 2.296 20 0 DEADHO CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001553025711 1074740256 /nfs/dbraw/zinc/74/02/56/1074740256.db2.gz MUVIOPAXQHBANJ-NWBUJAPZSA-N 1 3 306.372 2.463 20 0 DEADHO C[C@H]1[NH2+]CCn2c(-c3nc([C@H]4CN5CCC4CC5)no3)ccc21 ZINC001553314460 1074838804 /nfs/dbraw/zinc/83/88/04/1074838804.db2.gz FHIRVKUFGJPSGN-YPMHNXCESA-N 1 3 313.405 2.012 20 0 DEADHO COCCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)cc1 ZINC001560622917 1075143582 /nfs/dbraw/zinc/14/35/82/1075143582.db2.gz OSPXCLBMKUSHAF-BPQIPLTHSA-N 1 3 304.434 2.142 20 0 DEADHO CC[C@H](C(=O)NC[C@H]([NH2+]CC1=CCCCC1)C1CC1)N(C)C ZINC001566714352 1075324961 /nfs/dbraw/zinc/32/49/61/1075324961.db2.gz KYQKTSQORSTVCW-DLBZAZTESA-N 1 3 307.482 2.311 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001566858522 1075363654 /nfs/dbraw/zinc/36/36/54/1075363654.db2.gz BZMBOEPIOAYRRN-GASCZTMLSA-N 1 3 304.438 2.078 20 0 DEADHO CCCCC[N@@H+]1CCC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001566878280 1075371529 /nfs/dbraw/zinc/37/15/29/1075371529.db2.gz OVKFQSBIFORTRS-IAGOWNOFSA-N 1 3 309.498 2.347 20 0 DEADHO CCCCC[N@H+]1CCC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001566878280 1075371538 /nfs/dbraw/zinc/37/15/38/1075371538.db2.gz OVKFQSBIFORTRS-IAGOWNOFSA-N 1 3 309.498 2.347 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]C/C=C/Cl)N(C)C ZINC001566940735 1075394642 /nfs/dbraw/zinc/39/46/42/1075394642.db2.gz PRGWSIJUTOCFRX-MMCPSDEHSA-N 1 3 315.889 2.296 20 0 DEADHO C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC001589970023 1076539440 /nfs/dbraw/zinc/53/94/40/1076539440.db2.gz HGNNWGFPTUSYAB-ZDUSSCGKSA-N 1 3 322.416 2.219 20 0 DEADHO Cc1ccc(CN(C)C)cc1NC(=O)C1([C@H](C)[NH3+])CCOCC1 ZINC001650339032 1079539939 /nfs/dbraw/zinc/53/99/39/1079539939.db2.gz QJVCPCNTQSTJTE-AWEZNQCLSA-N 1 3 319.449 2.139 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@H](C)c1cccc(C)c1 ZINC001481306303 1079701009 /nfs/dbraw/zinc/70/10/09/1079701009.db2.gz LJEMIBTULCPNHI-MRXNPFEDSA-N 1 3 305.466 2.446 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CCCC(C)(C)C)CC1 ZINC001670891281 1079704977 /nfs/dbraw/zinc/70/49/77/1079704977.db2.gz LHSKOTWVFWAVCA-UHFFFAOYSA-N 1 3 306.454 2.325 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[N@H+](CCCCCF)CC1 ZINC001484725516 1079749629 /nfs/dbraw/zinc/74/96/29/1079749629.db2.gz BKTRPPWPEZGWCQ-HNNXBMFYSA-N 1 3 324.444 2.371 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[N@@H+](CCCCCF)CC1 ZINC001484725516 1079749635 /nfs/dbraw/zinc/74/96/35/1079749635.db2.gz BKTRPPWPEZGWCQ-HNNXBMFYSA-N 1 3 324.444 2.371 20 0 DEADHO CN(CC(=O)N[C@@H]1CCC[N@H+](CCCF)CC1)CC(C)(C)C ZINC001484722105 1079757104 /nfs/dbraw/zinc/75/71/04/1079757104.db2.gz RSWNNZWDDSSVPH-OAHLLOKOSA-N 1 3 315.477 2.295 20 0 DEADHO CN(CC(=O)N[C@@H]1CCC[N@@H+](CCCF)CC1)CC(C)(C)C ZINC001484722105 1079757106 /nfs/dbraw/zinc/75/71/06/1079757106.db2.gz RSWNNZWDDSSVPH-OAHLLOKOSA-N 1 3 315.477 2.295 20 0 DEADHO CCC1([NH2+]C/C=C/Cl)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001484810191 1079802923 /nfs/dbraw/zinc/80/29/23/1079802923.db2.gz RLSMLRSNOGMXJX-KVEVGEHQSA-N 1 3 313.873 2.194 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+]CCOC(F)(F)F)CC1 ZINC001652215932 1079859578 /nfs/dbraw/zinc/85/95/78/1079859578.db2.gz PYZQYHHBKYCXND-UHFFFAOYSA-N 1 3 310.360 2.146 20 0 DEADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCCC1CCCC1 ZINC001484898872 1079849537 /nfs/dbraw/zinc/84/95/37/1079849537.db2.gz IRRYPVLAVYEOFI-PBHICJAKSA-N 1 3 318.465 2.359 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]CCCCCF)CC1 ZINC001484913200 1079856619 /nfs/dbraw/zinc/85/66/19/1079856619.db2.gz GQRLMLJXNFVOOC-OAHLLOKOSA-N 1 3 313.461 2.191 20 0 DEADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CCN1CC1=CCCCC1 ZINC001656103278 1080043282 /nfs/dbraw/zinc/04/32/82/1080043282.db2.gz ZONBCEDGYKCLPE-KRWDZBQOSA-N 1 3 307.482 2.361 20 0 DEADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CCN1CC1=CCCCC1 ZINC001656103278 1080043289 /nfs/dbraw/zinc/04/32/89/1080043289.db2.gz ZONBCEDGYKCLPE-KRWDZBQOSA-N 1 3 307.482 2.361 20 0 DEADHO Cc1ccc(F)cc1C[NH2+][C@@H](C)[C@H](C)NC(=O)CN(C)C(C)C ZINC001485229707 1080078316 /nfs/dbraw/zinc/07/83/16/1080078316.db2.gz KWIDNOVUFVYRIM-GJZGRUSLSA-N 1 3 323.456 2.457 20 0 DEADHO CCCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001656448768 1080094245 /nfs/dbraw/zinc/09/42/45/1080094245.db2.gz VABRUCMYQLUEPV-ZBFHGGJFSA-N 1 3 306.454 2.359 20 0 DEADHO NC(=O)[C@H]1CCCN(CCC[NH2+]C/C=C\c2ccc(F)cc2)C1 ZINC001657153507 1080160606 /nfs/dbraw/zinc/16/06/06/1080160606.db2.gz HORODMYFOTUSEO-YDOVZFOCSA-N 1 3 319.424 2.016 20 0 DEADHO CCC/C=C/CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001661267053 1080465140 /nfs/dbraw/zinc/46/51/40/1080465140.db2.gz JDSGWGLHXBGLSJ-BORUEMGLSA-N 1 3 307.482 2.360 20 0 DEADHO CC[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CCCF ZINC001481812750 1080521071 /nfs/dbraw/zinc/52/10/71/1080521071.db2.gz SRMXGUPFDRJORA-AWEZNQCLSA-N 1 3 301.450 2.095 20 0 DEADHO C[C@H](C(=O)N1CCCC[C@H]1CNCCF)[NH+]1CCCCCC1 ZINC001661950299 1080549331 /nfs/dbraw/zinc/54/93/31/1080549331.db2.gz LOQAXUPKHDSNOU-CVEARBPZSA-N 1 3 313.461 2.191 20 0 DEADHO CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001662639417 1080625419 /nfs/dbraw/zinc/62/54/19/1080625419.db2.gz BNLZFNARKQPHMI-APHBUQMISA-N 1 3 307.482 2.265 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CCCCCF)C1 ZINC001482062876 1080768762 /nfs/dbraw/zinc/76/87/62/1080768762.db2.gz FVZAMNCMKHUQRB-JKSUJKDBSA-N 1 3 313.461 2.049 20 0 DEADHO CC(C)[C@H](C(=O)NC/C=C\C[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001268619118 1080895466 /nfs/dbraw/zinc/89/54/66/1080895466.db2.gz YJXHELQBNGWUGF-KEGWNNHHSA-N 1 3 321.509 2.415 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC([C@@H](C)[NH2+]CCCF)CC1)N(C)C ZINC001664462078 1080912510 /nfs/dbraw/zinc/91/25/10/1080912510.db2.gz BIFYSYLLVREXEE-GDBMZVCRSA-N 1 3 315.477 2.149 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1=CCCCC1 ZINC001268689074 1080935627 /nfs/dbraw/zinc/93/56/27/1080935627.db2.gz QWJUAHUINJHUCQ-RDJZCZTQSA-N 1 3 307.482 2.454 20 0 DEADHO C[NH+]1CCC(CC(=O)NCC2CN(CC3=CCCCC3)C2)CC1 ZINC001665336595 1081015227 /nfs/dbraw/zinc/01/52/27/1081015227.db2.gz FPPIOSTXIDQYLG-UHFFFAOYSA-N 1 3 319.493 2.267 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H](CC[NH2+]C/C=C\Cl)C1)N(C)C ZINC001666120134 1081125462 /nfs/dbraw/zinc/12/54/62/1081125462.db2.gz OAUZCZYRUNNLGL-AJNJCKRNSA-N 1 3 315.889 2.297 20 0 DEADHO C[C@@H](C(=O)NC1(C[NH2+]CCF)CCCC1)N1CCCCCC1 ZINC001269578536 1081293802 /nfs/dbraw/zinc/29/38/02/1081293802.db2.gz BCLRFZSHFPLZEF-HNNXBMFYSA-N 1 3 313.461 2.239 20 0 DEADHO CCN(CC[NH2+]Cc1cccc(C)c1)C(=O)[C@@H]1CCCN1C ZINC001668381940 1081348543 /nfs/dbraw/zinc/34/85/43/1081348543.db2.gz OKBAQHCFKSFRLU-KRWDZBQOSA-N 1 3 303.450 2.027 20 0 DEADHO CC(C)(C(=O)NC/C=C/CNC/C=C/Cl)[NH+]1CCCCC1 ZINC001668828332 1081402160 /nfs/dbraw/zinc/40/21/60/1081402160.db2.gz PDHFMYVQURKGMG-KQWYESAVSA-N 1 3 313.873 2.265 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H]1CNCCF)[NH+]1CCCCC1 ZINC001270193081 1081471949 /nfs/dbraw/zinc/47/19/49/1081471949.db2.gz GIROQDOTPAZVBB-JKSUJKDBSA-N 1 3 313.461 2.047 20 0 DEADHO c1c[nH]c(C[N@H+]2CCC3(C2)CCN(Cc2cncnc2)CC3)c1 ZINC001276302160 1081478164 /nfs/dbraw/zinc/47/81/64/1081478164.db2.gz KQYZVKYTBXXDPC-UHFFFAOYSA-N 1 3 311.433 2.293 20 0 DEADHO c1c[nH]c(C[N@@H+]2CCC3(C2)CCN(Cc2cncnc2)CC3)c1 ZINC001276302160 1081478168 /nfs/dbraw/zinc/47/81/68/1081478168.db2.gz KQYZVKYTBXXDPC-UHFFFAOYSA-N 1 3 311.433 2.293 20 0 DEADHO CC(C)=CC[NH2+]C[C@@]1(C)CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001671785415 1081538955 /nfs/dbraw/zinc/53/89/55/1081538955.db2.gz SMIFETHACMAQAB-SJLPKXTDSA-N 1 3 307.482 2.123 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]CC1=CCCCC1)N(C)C ZINC001270507972 1081540521 /nfs/dbraw/zinc/54/05/21/1081540521.db2.gz QYFWOVUBJFUXHW-DOTOQJQBSA-N 1 3 309.498 2.415 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]C/C=C\Cl)C1)N(C)C ZINC001270744337 1081620416 /nfs/dbraw/zinc/62/04/16/1081620416.db2.gz LPACFVJKAYQFGW-YFZPWRCSSA-N 1 3 315.889 2.153 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCC2CCCC2)C1 ZINC001672840042 1081711354 /nfs/dbraw/zinc/71/13/54/1081711354.db2.gz SSKRKZHBBIQPSH-ZWKOTPCHSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCCCCF)[C@@H](C)C1 ZINC001482439372 1081830761 /nfs/dbraw/zinc/83/07/61/1081830761.db2.gz PBURHGHRJIUILU-JKSUJKDBSA-N 1 3 315.477 2.293 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CCCCCF ZINC001674474587 1081876523 /nfs/dbraw/zinc/87/65/23/1081876523.db2.gz CWESLSAKKZRHLB-JKSUJKDBSA-N 1 3 313.461 2.143 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CCCCCF ZINC001674474587 1081876526 /nfs/dbraw/zinc/87/65/26/1081876526.db2.gz CWESLSAKKZRHLB-JKSUJKDBSA-N 1 3 313.461 2.143 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001625795933 1081941357 /nfs/dbraw/zinc/94/13/57/1081941357.db2.gz GDJMNBCXQXNGLK-IYBDPMFKSA-N 1 3 311.514 2.449 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001625795933 1081941359 /nfs/dbraw/zinc/94/13/59/1081941359.db2.gz GDJMNBCXQXNGLK-IYBDPMFKSA-N 1 3 311.514 2.449 20 0 DEADHO CCc1ccccc1C[N@H+](C)CCNC(=O)CN(C)C1CCC1 ZINC001480874317 1082039559 /nfs/dbraw/zinc/03/95/59/1082039559.db2.gz ZOARPUDTJMGIIX-UHFFFAOYSA-N 1 3 317.477 2.281 20 0 DEADHO CCc1ccccc1C[N@@H+](C)CCNC(=O)CN(C)C1CCC1 ZINC001480874317 1082039567 /nfs/dbraw/zinc/03/95/67/1082039567.db2.gz ZOARPUDTJMGIIX-UHFFFAOYSA-N 1 3 317.477 2.281 20 0 DEADHO CC/C=C\CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001271562373 1082082203 /nfs/dbraw/zinc/08/22/03/1082082203.db2.gz SMQYTLFSWBRZTG-UIZHIOIMSA-N 1 3 307.482 2.265 20 0 DEADHO CCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001271646247 1082098914 /nfs/dbraw/zinc/09/89/14/1082098914.db2.gz SRNFJGZWVPPKPP-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](CC[NH2+]C/C=C/Cl)NC(=O)C(C)(C)N1CCCCC1 ZINC001482833369 1082524184 /nfs/dbraw/zinc/52/41/84/1082524184.db2.gz LVXAECHDBYRNMB-KGXGESDWSA-N 1 3 315.889 2.488 20 0 DEADHO Cc1ccc(C)c(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCCN2C)c1 ZINC001482991339 1082611088 /nfs/dbraw/zinc/61/10/88/1082611088.db2.gz PMSDAPQWZDNWBX-WRFKIARRSA-N 1 3 315.461 2.160 20 0 DEADHO Cc1ccc(F)c(CNC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001483129487 1082748673 /nfs/dbraw/zinc/74/86/73/1082748673.db2.gz ZOFNEOSMVFUTNI-IIAWOOMASA-N 1 3 321.440 2.069 20 0 DEADHO Cc1ccc(F)c(CNC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001483129487 1082748677 /nfs/dbraw/zinc/74/86/77/1082748677.db2.gz ZOFNEOSMVFUTNI-IIAWOOMASA-N 1 3 321.440 2.069 20 0 DEADHO CCc1ccccc1CN[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC001413153090 1083393375 /nfs/dbraw/zinc/39/33/75/1083393375.db2.gz DQRFTGWCLWOBNI-SFHVURJKSA-N 1 3 319.493 2.431 20 0 DEADHO CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107444550 1083399983 /nfs/dbraw/zinc/39/99/83/1083399983.db2.gz NXZICFFHVMFSEM-SOLBZPMBSA-N 1 3 309.498 2.343 20 0 DEADHO CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107444550 1083399994 /nfs/dbraw/zinc/39/99/94/1083399994.db2.gz NXZICFFHVMFSEM-SOLBZPMBSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCC1)CC2)N(C)C ZINC001107451163 1083405771 /nfs/dbraw/zinc/40/57/71/1083405771.db2.gz PZOFVMRMTDZKHY-ZHALLVOQSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCC1)CC2)N(C)C ZINC001107451163 1083405778 /nfs/dbraw/zinc/40/57/78/1083405778.db2.gz PZOFVMRMTDZKHY-ZHALLVOQSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1ncccc1CN1CCC2(CC[N@@H+](CCN(C)C)C2)CC1 ZINC001276623672 1083519721 /nfs/dbraw/zinc/51/97/21/1083519721.db2.gz XAEWGBWBQLMACI-UHFFFAOYSA-N 1 3 316.493 2.240 20 0 DEADHO Cc1ncccc1CN1CCC2(CC[N@H+](CCN(C)C)C2)CC1 ZINC001276623672 1083519737 /nfs/dbraw/zinc/51/97/37/1083519737.db2.gz XAEWGBWBQLMACI-UHFFFAOYSA-N 1 3 316.493 2.240 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C(C)C)CCC[C@@H]12 ZINC001107646082 1083554628 /nfs/dbraw/zinc/55/46/28/1083554628.db2.gz BHAXEHWFGDXNKW-SJLPKXTDSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1CC[C@@]2(CNC(=O)CN(C)C(C)C)CCC[C@@H]12 ZINC001107646082 1083554635 /nfs/dbraw/zinc/55/46/35/1083554635.db2.gz BHAXEHWFGDXNKW-SJLPKXTDSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]2CC[NH+]2CCC(C)CC2)C1 ZINC001413410987 1083567937 /nfs/dbraw/zinc/56/79/37/1083567937.db2.gz FWPIUPASINEEPY-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001276765339 1083594463 /nfs/dbraw/zinc/59/44/63/1083594463.db2.gz VQXVEYQYMWHUIW-WDDJWGJOSA-N 1 3 303.494 2.345 20 0 DEADHO CN(C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001276765339 1083594474 /nfs/dbraw/zinc/59/44/74/1083594474.db2.gz VQXVEYQYMWHUIW-WDDJWGJOSA-N 1 3 303.494 2.345 20 0 DEADHO Cc1cc(N2CCCC3(CN(CCn4ccnc4)C3)C2)cc[nH+]1 ZINC001277064991 1083756906 /nfs/dbraw/zinc/75/69/06/1083756906.db2.gz RSTUEEKQIXALEC-UHFFFAOYSA-N 1 3 311.433 2.189 20 0 DEADHO CN(CCC[NH2+]CCC1CCCCC1)C(=O)CN1CCCC1 ZINC001276387177 1083910663 /nfs/dbraw/zinc/91/06/63/1083910663.db2.gz XZDSWNHBOKPOFQ-UHFFFAOYSA-N 1 3 309.498 2.491 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001491054862 1084037336 /nfs/dbraw/zinc/03/73/36/1084037336.db2.gz GHWQSWSKUFJMRP-BHYGNILZSA-N 1 3 307.482 2.145 20 0 DEADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1)CC(C)(C)C ZINC001491055128 1084039197 /nfs/dbraw/zinc/03/91/97/1084039197.db2.gz KWQQLDPQQLMDBL-GASCZTMLSA-N 1 3 323.506 2.463 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN(C)C(C)C)C2)cc1 ZINC001491080423 1084052645 /nfs/dbraw/zinc/05/26/45/1084052645.db2.gz NGGYRVZBBWWDLU-CALCHBBNSA-N 1 3 303.450 2.072 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@H](C[NH2+]C/C=C/Cl)C2)CCC1 ZINC001491153997 1084114278 /nfs/dbraw/zinc/11/42/78/1084114278.db2.gz PHNYFQMRTXCWQT-VZUFXWRPSA-N 1 3 313.873 2.051 20 0 DEADHO C[C@@H](F)CC[NH2+][C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001491457455 1084324803 /nfs/dbraw/zinc/32/48/03/1084324803.db2.gz SSTYLEJHARDDMJ-KGLIPLIRSA-N 1 3 301.450 2.093 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)C[C@H]1CCN1CCCF ZINC001235338297 1084395199 /nfs/dbraw/zinc/39/51/99/1084395199.db2.gz WFUZLXGXGYDSSV-HZPDHXFCSA-N 1 3 313.461 2.142 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)C[C@H]1CCN1CCCF ZINC001235338297 1084395209 /nfs/dbraw/zinc/39/52/09/1084395209.db2.gz WFUZLXGXGYDSSV-HZPDHXFCSA-N 1 3 313.461 2.142 20 0 DEADHO COC[C@H]1CN(CCCC[NH3+])Cc2cn(CC3CCCC3)nc21 ZINC001235457883 1084436495 /nfs/dbraw/zinc/43/64/95/1084436495.db2.gz DTWRWQDOOYNQQF-QGZVFWFLSA-N 1 3 320.481 2.358 20 0 DEADHO Cc1cccc(CN2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)c1 ZINC001272907231 1084459007 /nfs/dbraw/zinc/45/90/07/1084459007.db2.gz PTVIVGWJNFTKDE-IBGZPJMESA-N 1 3 315.461 2.124 20 0 DEADHO Cc1ncn(C)c1CN1CCC(COCC[NH+]2CCCC2)CC1 ZINC001235540807 1084462095 /nfs/dbraw/zinc/46/20/95/1084462095.db2.gz PAXUAHGSUHRCGU-UHFFFAOYSA-N 1 3 320.481 2.053 20 0 DEADHO CC(C)(CO)C[N@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001277963446 1084506690 /nfs/dbraw/zinc/50/66/90/1084506690.db2.gz KPTCWWLATNRLAL-IYBDPMFKSA-N 1 3 305.466 2.177 20 0 DEADHO CC(C)(CO)C[N@@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001277963446 1084506697 /nfs/dbraw/zinc/50/66/97/1084506697.db2.gz KPTCWWLATNRLAL-IYBDPMFKSA-N 1 3 305.466 2.177 20 0 DEADHO Fc1ccc(CC2CC[NH+](CC[C@H]3CNCCO3)CC2)cc1 ZINC001235864500 1084553491 /nfs/dbraw/zinc/55/34/91/1084553491.db2.gz RUUSPQOUDRWEQY-SFHVURJKSA-N 1 3 306.425 2.459 20 0 DEADHO N[C@H]1CN(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC[C@H]1F ZINC001235907306 1084561261 /nfs/dbraw/zinc/56/12/61/1084561261.db2.gz WJAKWTGLNXBQBT-KURKYZTESA-N 1 3 305.441 2.412 20 0 DEADHO N[C@H]1CN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)CC[C@H]1F ZINC001235907306 1084561265 /nfs/dbraw/zinc/56/12/65/1084561265.db2.gz WJAKWTGLNXBQBT-KURKYZTESA-N 1 3 305.441 2.412 20 0 DEADHO CC(C)[NH2+][C@H](C)CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001485921666 1084987849 /nfs/dbraw/zinc/98/78/49/1084987849.db2.gz BWKWOMRUFQSDQJ-CZUORRHYSA-N 1 3 301.450 2.044 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CCCC1 ZINC001485960183 1085022784 /nfs/dbraw/zinc/02/27/84/1085022784.db2.gz BBVRGHHFPUXKDI-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC ZINC000960273070 1085175699 /nfs/dbraw/zinc/17/56/99/1085175699.db2.gz MDBLIEMPAUBUMM-KZNAEPCWSA-N 1 3 315.461 2.253 20 0 DEADHO CC(C)[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CN1CC[C@H](C)C1 ZINC000960303287 1085188166 /nfs/dbraw/zinc/18/81/66/1085188166.db2.gz GRIVAFWWCJWLAL-POZUXBRTSA-N 1 3 315.461 2.108 20 0 DEADHO CC[NH+]1CCC(C2(NC(=O)CN3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC001486489882 1085369129 /nfs/dbraw/zinc/36/91/29/1085369129.db2.gz AMYGPILEVGAQOE-GJZGRUSLSA-N 1 3 307.482 2.240 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[N@H+](C)CC2CCC2)CCC1 ZINC000960679628 1085411506 /nfs/dbraw/zinc/41/15/06/1085411506.db2.gz JLIDVLOANBPTJP-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CCC2)CCC1 ZINC000960679628 1085411509 /nfs/dbraw/zinc/41/15/09/1085411509.db2.gz JLIDVLOANBPTJP-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)N1CCN(CC[NH2+][C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168695365 1085442811 /nfs/dbraw/zinc/44/28/11/1085442811.db2.gz YNRGJXVQRJUCSR-MRXNPFEDSA-N 1 3 321.896 2.423 20 0 DEADHO C[N@H+](CC1CCC1)C[C@H]1CCCN1C(=O)CN1CCC(C)(C)C1 ZINC000960865270 1085487484 /nfs/dbraw/zinc/48/74/84/1085487484.db2.gz PPKUPPSSOSHZQX-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO C[N@@H+](CC1CCC1)C[C@H]1CCCN1C(=O)CN1CCC(C)(C)C1 ZINC000960865270 1085487492 /nfs/dbraw/zinc/48/74/92/1085487492.db2.gz PPKUPPSSOSHZQX-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961189843 1085629949 /nfs/dbraw/zinc/62/99/49/1085629949.db2.gz ZURHCKSTLMKLLW-CVEARBPZSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961189843 1085629956 /nfs/dbraw/zinc/62/99/56/1085629956.db2.gz ZURHCKSTLMKLLW-CVEARBPZSA-N 1 3 307.482 2.051 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961237051 1085650084 /nfs/dbraw/zinc/65/00/84/1085650084.db2.gz ZYPCFIKUPGOPPO-JKSUJKDBSA-N 1 3 318.465 2.313 20 0 DEADHO CCCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961237051 1085650088 /nfs/dbraw/zinc/65/00/88/1085650088.db2.gz ZYPCFIKUPGOPPO-JKSUJKDBSA-N 1 3 318.465 2.313 20 0 DEADHO CCC[NH2+]C1CC2(CC(NC(=O)CN3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000965932940 1085701041 /nfs/dbraw/zinc/70/10/41/1085701041.db2.gz GBKPBPXLUQZSLL-GFBLOWMDSA-N 1 3 307.482 2.286 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccsc1)N(C)C ZINC001273001649 1085876510 /nfs/dbraw/zinc/87/65/10/1085876510.db2.gz LGSWIPLNVJCCBV-DZGCQCFKSA-N 1 3 311.495 2.319 20 0 DEADHO CCCN(C(=O)CC[NH2+]C)C1CCN(Cc2ccccc2)CC1 ZINC001649119962 1086172835 /nfs/dbraw/zinc/17/28/35/1086172835.db2.gz SPJAWMUALRFPFJ-UHFFFAOYSA-N 1 3 317.477 2.499 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+]C/C=C/c1ccccc1 ZINC001128527685 1086180777 /nfs/dbraw/zinc/18/07/77/1086180777.db2.gz BUCJDQAESVQODC-YRYLYKBFSA-N 1 3 321.440 2.086 20 0 DEADHO C[C@H](CN(C)C(=O)OC(C)(C)C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000701887847 1086391608 /nfs/dbraw/zinc/39/16/08/1086391608.db2.gz YFEGUXLJCHNYHK-FFHGMXDLSA-N 1 3 311.470 2.457 20 0 DEADHO C[C@H](CN(C)C(=O)OC(C)(C)C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000701887847 1086391618 /nfs/dbraw/zinc/39/16/18/1086391618.db2.gz YFEGUXLJCHNYHK-FFHGMXDLSA-N 1 3 311.470 2.457 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1cccc(Cl)c1 ZINC001168756435 1086523238 /nfs/dbraw/zinc/52/32/38/1086523238.db2.gz YPVOVPQVQYXADU-UHFFFAOYSA-N 1 3 311.857 2.278 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)C2CCC([NH2+]CC3CC3)CC2)C1 ZINC000963912600 1086597023 /nfs/dbraw/zinc/59/70/23/1086597023.db2.gz NPPLZNARQBQFMP-ODIFPOPNSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[NH+]1CCC2(CCN(C(=O)CN3CC[C@H](C)C3)CC2)CC1 ZINC000957606060 1088452128 /nfs/dbraw/zinc/45/21/28/1088452128.db2.gz XORZWBVDRIXZQO-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCCCC3)C[C@H]21)N(C)C ZINC001114849662 1089155619 /nfs/dbraw/zinc/15/56/19/1089155619.db2.gz VAXRNKNDQSTPOS-XWTMOSNGSA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCCCC3)C[C@H]21)N(C)C ZINC001114849662 1089155629 /nfs/dbraw/zinc/15/56/29/1089155629.db2.gz VAXRNKNDQSTPOS-XWTMOSNGSA-N 1 3 321.509 2.343 20 0 DEADHO C[NH2+]C[C@H](C)C(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1 ZINC000719958603 1089419929 /nfs/dbraw/zinc/41/99/29/1089419929.db2.gz KYNGBJUJEFBVMK-FUHWJXTLSA-N 1 3 317.477 2.355 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC001412919772 1089663940 /nfs/dbraw/zinc/66/39/40/1089663940.db2.gz WVBZBMIJFVVQQR-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC001412919772 1089663948 /nfs/dbraw/zinc/66/39/48/1089663948.db2.gz WVBZBMIJFVVQQR-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1C(C)C ZINC000959848733 1089790500 /nfs/dbraw/zinc/79/05/00/1089790500.db2.gz KVCJHDHKLFNDKQ-XDNAFOTISA-N 1 3 321.509 2.342 20 0 DEADHO CCC(CC)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1C(C)C ZINC000959848733 1089790514 /nfs/dbraw/zinc/79/05/14/1089790514.db2.gz KVCJHDHKLFNDKQ-XDNAFOTISA-N 1 3 321.509 2.342 20 0 DEADHO CC(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC000959896566 1089832648 /nfs/dbraw/zinc/83/26/48/1089832648.db2.gz SLXXTYDUEYBBLQ-FVQHAEBGSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC000959896566 1089832664 /nfs/dbraw/zinc/83/26/64/1089832664.db2.gz SLXXTYDUEYBBLQ-FVQHAEBGSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CC2)C1 ZINC001082507169 1089996046 /nfs/dbraw/zinc/99/60/46/1089996046.db2.gz FZDZFSVJAGHXCZ-OIISXLGYSA-N 1 3 307.482 2.096 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C)cc2)C1)N(C)C ZINC001082747316 1090054502 /nfs/dbraw/zinc/05/45/02/1090054502.db2.gz LRRPOYICHVBNTE-NXHRZFHOSA-N 1 3 317.477 2.272 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCC2)C1)N(C)C ZINC001082748304 1090054912 /nfs/dbraw/zinc/05/49/12/1090054912.db2.gz FQNDWIZSPPRCQR-OIISXLGYSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001084427570 1090287716 /nfs/dbraw/zinc/28/77/16/1090287716.db2.gz MUMRSXHUBSSOJY-ZACQAIPSSA-N 1 3 309.498 2.151 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001084427570 1090287719 /nfs/dbraw/zinc/28/77/19/1090287719.db2.gz MUMRSXHUBSSOJY-ZACQAIPSSA-N 1 3 309.498 2.151 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CCC)[C@H]2C1 ZINC001084953621 1090543713 /nfs/dbraw/zinc/54/37/13/1090543713.db2.gz YUVOVVFUMGAUTJ-ZACQAIPSSA-N 1 3 307.482 2.194 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCC)[C@H]2C1 ZINC001084953621 1090543715 /nfs/dbraw/zinc/54/37/15/1090543715.db2.gz YUVOVVFUMGAUTJ-ZACQAIPSSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)NCc1ccsc1 ZINC001410480229 1091010698 /nfs/dbraw/zinc/01/06/98/1091010698.db2.gz DAHXEQZVHCBKNE-KBPBESRZSA-N 1 3 309.479 2.026 20 0 DEADHO C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1ccsc1 ZINC001410480229 1091010702 /nfs/dbraw/zinc/01/07/02/1091010702.db2.gz DAHXEQZVHCBKNE-KBPBESRZSA-N 1 3 309.479 2.026 20 0 DEADHO C[C@@H]1C[C@H]2CC[C@H](C(=O)NCCN3CCCC(C)(C)C3)C[N@@H+]2C1 ZINC001412081308 1091140313 /nfs/dbraw/zinc/14/03/13/1091140313.db2.gz XGVHVINPHOUARL-IXDOHACOSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1C[C@H]2CC[C@H](C(=O)NCCN3CCCC(C)(C)C3)C[N@H+]2C1 ZINC001412081308 1091140318 /nfs/dbraw/zinc/14/03/18/1091140318.db2.gz XGVHVINPHOUARL-IXDOHACOSA-N 1 3 321.509 2.345 20 0 DEADHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]C/C=C\c1ccccc1 ZINC001274264302 1091156612 /nfs/dbraw/zinc/15/66/12/1091156612.db2.gz XTFAGTYTCMUYJR-WVHKKZMXSA-N 1 3 313.445 2.056 20 0 DEADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(C)(C)N1CCCCC1 ZINC001412443106 1091412617 /nfs/dbraw/zinc/41/26/17/1091412617.db2.gz DLQIQKSKQIPGND-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(C)(C)N1CCCCC1 ZINC001412443106 1091412621 /nfs/dbraw/zinc/41/26/21/1091412621.db2.gz DLQIQKSKQIPGND-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](F)C[NH+]1CCC([C@@H](C)NC(=O)[C@H](CC)N(C)C)CC1 ZINC001411233554 1091449108 /nfs/dbraw/zinc/44/91/08/1091449108.db2.gz JPOMWUKUJXBHGX-KBMXLJTQSA-N 1 3 315.477 2.291 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)NCc2ccccc2CN(C)C)C1 ZINC001412527247 1091481130 /nfs/dbraw/zinc/48/11/30/1091481130.db2.gz LVHUQUNZGWKRSB-GOSISDBHSA-N 1 3 317.477 2.485 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](C(=O)NCc2ccccc2CN(C)C)C1 ZINC001412527247 1091481134 /nfs/dbraw/zinc/48/11/34/1091481134.db2.gz LVHUQUNZGWKRSB-GOSISDBHSA-N 1 3 317.477 2.485 20 0 DEADHO CCOC(C)(C)C[NH+]1CCC2(CN(CCn3ccnc3)C2)CC1 ZINC001274943038 1091483724 /nfs/dbraw/zinc/48/37/24/1091483724.db2.gz LEISDWDOGBLFAD-UHFFFAOYSA-N 1 3 320.481 2.096 20 0 DEADHO c1cn(CC[N@@H+]2CCC3(CN(C[C@H]4CC=CCC4)C3)C2)cn1 ZINC001275040445 1091521901 /nfs/dbraw/zinc/52/19/01/1091521901.db2.gz KJRDTBIXCGABFX-KRWDZBQOSA-N 1 3 300.450 2.247 20 0 DEADHO c1cn(CC[N@H+]2CCC3(CN(C[C@H]4CC=CCC4)C3)C2)cn1 ZINC001275040445 1091521911 /nfs/dbraw/zinc/52/19/11/1091521911.db2.gz KJRDTBIXCGABFX-KRWDZBQOSA-N 1 3 300.450 2.247 20 0 DEADHO Cc1cc(C)cc(CN2CC3(C2)CC[N@@H+](CCN(C)C)C3)c1 ZINC001276171523 1091633652 /nfs/dbraw/zinc/63/36/52/1091633652.db2.gz RQRHYJSJTNKGAC-UHFFFAOYSA-N 1 3 301.478 2.373 20 0 DEADHO Cc1cc(C)cc(CN2CC3(C2)CC[N@H+](CCN(C)C)C3)c1 ZINC001276171523 1091633655 /nfs/dbraw/zinc/63/36/55/1091633655.db2.gz RQRHYJSJTNKGAC-UHFFFAOYSA-N 1 3 301.478 2.373 20 0 DEADHO Cc1ccc(F)cc1CN1CC[C@H]2[C@@H]1CC[N@H+]2CCN(C)C ZINC001275308681 1091662358 /nfs/dbraw/zinc/66/23/58/1091662358.db2.gz SHRNGYSOEHUXAR-ROUUACIJSA-N 1 3 305.441 2.344 20 0 DEADHO Cc1ccc(F)cc1CN1CC[C@H]2[C@@H]1CC[N@@H+]2CCN(C)C ZINC001275308681 1091662360 /nfs/dbraw/zinc/66/23/60/1091662360.db2.gz SHRNGYSOEHUXAR-ROUUACIJSA-N 1 3 305.441 2.344 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)CCC[NH2+]CC2CCCCC2)C1 ZINC001276226594 1091718268 /nfs/dbraw/zinc/71/82/68/1091718268.db2.gz HHVUYLUKSMWHPL-MRXNPFEDSA-N 1 3 309.498 2.347 20 0 DEADHO CCC[N@H+](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001442949519 1091789129 /nfs/dbraw/zinc/78/91/29/1091789129.db2.gz ADXZMEGJCAVIKA-QGZVFWFLSA-N 1 3 315.477 2.436 20 0 DEADHO CCC[N@@H+](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001442949519 1091789135 /nfs/dbraw/zinc/78/91/35/1091789135.db2.gz ADXZMEGJCAVIKA-QGZVFWFLSA-N 1 3 315.477 2.436 20 0 DEADHO C[C@@H](F)CC[N@@H+]1CCC[C@H](N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000948813187 1091951540 /nfs/dbraw/zinc/95/15/40/1091951540.db2.gz WEBQUQPDIKJMPP-HIFRSBDPSA-N 1 3 310.417 2.013 20 0 DEADHO C[C@@H](F)CC[N@H+]1CCC[C@H](N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000948813187 1091951549 /nfs/dbraw/zinc/95/15/49/1091951549.db2.gz WEBQUQPDIKJMPP-HIFRSBDPSA-N 1 3 310.417 2.013 20 0 DEADHO CCN(CC[NH2+]CC1CCCC1)C(=O)[C@@H]1CCCCN1CC ZINC001273771990 1092042346 /nfs/dbraw/zinc/04/23/46/1092042346.db2.gz PAQQOMKTADUSGN-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CCCN1C ZINC001273909522 1092500403 /nfs/dbraw/zinc/50/04/03/1092500403.db2.gz HOKGCQIFGIWZRH-KINGKOSLSA-N 1 3 315.461 2.412 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H]([NH2+]CCCC2CCC2)C1 ZINC001488876950 1092818465 /nfs/dbraw/zinc/81/84/65/1092818465.db2.gz YVUINNKIMKUOGY-WKILWMFISA-N 1 3 318.465 2.325 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CN(C)C3CCC3)C(C)(C)[C@H]21 ZINC001489087897 1092938860 /nfs/dbraw/zinc/93/88/60/1092938860.db2.gz SSONLIVJIOJAHS-NJAFHUGGSA-N 1 3 321.509 2.486 20 0 DEADHO CCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CN(C)C3CCC3)C(C)(C)[C@H]21 ZINC001489087897 1092938870 /nfs/dbraw/zinc/93/88/70/1092938870.db2.gz SSONLIVJIOJAHS-NJAFHUGGSA-N 1 3 321.509 2.486 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@H]1CCCN(CC2=CCCCC2)C1 ZINC001490449479 1093363976 /nfs/dbraw/zinc/36/39/76/1093363976.db2.gz ULTALSVBKXNARY-KRWDZBQOSA-N 1 3 307.482 2.409 20 0 DEADHO CCC[C@@H](O)CN1CCN(CCC[NH+](CCC)CCC)CC1 ZINC001252788662 1093647494 /nfs/dbraw/zinc/64/74/94/1093647494.db2.gz CJNSNCXKKYLTSK-GOSISDBHSA-N 1 3 313.530 2.277 20 0 DEADHO CCC(CC)C[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001420953065 1171376389 /nfs/dbraw/zinc/37/63/89/1171376389.db2.gz PUDTVZHMMGLDPB-QGZVFWFLSA-N 1 3 309.498 2.299 20 0 DEADHO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@H+](C)CCN ZINC001236152967 1138333755 /nfs/dbraw/zinc/33/37/55/1138333755.db2.gz GDJOEADVZNWAIN-GUTXKFCHSA-N 1 3 302.459 2.038 20 0 DEADHO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@@H+](C)CCN ZINC001236152967 1138333758 /nfs/dbraw/zinc/33/37/58/1138333758.db2.gz GDJOEADVZNWAIN-GUTXKFCHSA-N 1 3 302.459 2.038 20 0 DEADHO [NH3+]CCCCN1CCC2(CC1)CC(=O)c1cc(F)ccc1O2 ZINC001236183076 1138338263 /nfs/dbraw/zinc/33/82/63/1138338263.db2.gz CWGXFUJBZUCWOY-UHFFFAOYSA-N 1 3 306.381 2.364 20 0 DEADHO c1ccc2c(c1)NCCC21CC[NH+](CC[C@@H]2CNCCO2)CC1 ZINC001237319208 1138582056 /nfs/dbraw/zinc/58/20/56/1138582056.db2.gz MGLNVDXLJQCRLG-MRXNPFEDSA-N 1 3 315.461 2.214 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@H](C)NCc1cc(C)ccc1F ZINC001491631122 1140220998 /nfs/dbraw/zinc/22/09/98/1140220998.db2.gz LTVVXKGQOQBLTL-AWEZNQCLSA-N 1 3 309.429 2.070 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)NCc1cc(C)ccc1F ZINC001491631122 1140221013 /nfs/dbraw/zinc/22/10/13/1140221013.db2.gz LTVVXKGQOQBLTL-AWEZNQCLSA-N 1 3 309.429 2.070 20 0 DEADHO Cc1cccc(C)c1C[NH2+][C@@H](C)CNC(=O)CN(C)C(C)C ZINC001491685905 1140250333 /nfs/dbraw/zinc/25/03/33/1140250333.db2.gz ZRBJHBVLFADHGP-INIZCTEOSA-N 1 3 305.466 2.238 20 0 DEADHO CC[C@@H](C(=O)N1CCC(CC[NH2+]C/C=C\Cl)CC1)N(C)C ZINC001318929455 1140470351 /nfs/dbraw/zinc/47/03/51/1140470351.db2.gz QCTGAKMNZMNVIY-ZHMISCPASA-N 1 3 315.889 2.297 20 0 DEADHO CC(C)(C)c1ccc(OC[C@@H](O)C[NH2+][C@H]2CCCNC2)cc1 ZINC001245985021 1140841844 /nfs/dbraw/zinc/84/18/44/1140841844.db2.gz ZIKYBAYKRJOUHW-HOTGVXAUSA-N 1 3 306.450 2.065 20 0 DEADHO [NH3+]C[C@H]1CCCCN(C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC001246038811 1140851939 /nfs/dbraw/zinc/85/19/39/1140851939.db2.gz YZSLZCQVGMTISX-HIFRSBDPSA-N 1 3 312.841 2.141 20 0 DEADHO Clc1cccc(Cl)c1CN[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246075464 1140857763 /nfs/dbraw/zinc/85/77/63/1140857763.db2.gz UDHBYZTXMIQUGL-JTQLQIEISA-N 1 3 300.233 2.177 20 0 DEADHO C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246089642 1140859899 /nfs/dbraw/zinc/85/98/99/1140859899.db2.gz RCCRASLOLOBRCP-NZVBXONLSA-N 1 3 318.795 2.062 20 0 DEADHO O[C@@]1(CN[C@@H]2CCc3cccc(Cl)c3C2)CCCC[NH2+]C1 ZINC001246096431 1140860890 /nfs/dbraw/zinc/86/08/90/1140860890.db2.gz LLRJSLVVOUYZMX-PBHICJAKSA-N 1 3 308.853 2.292 20 0 DEADHO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)NC1 ZINC001246107635 1140862166 /nfs/dbraw/zinc/86/21/66/1140862166.db2.gz SRQOOOKPVZZYBO-KBAYOESNSA-N 1 3 315.461 2.269 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]C2CCC3(CCC(=O)N3CC3CC3)CC2)CCN1 ZINC001246157192 1140867655 /nfs/dbraw/zinc/86/76/55/1140867655.db2.gz OLWCKACXEAHQGL-BBPFYFEFSA-N 1 3 319.493 2.430 20 0 DEADHO COc1ccccc1C1(C[NH2+][C@H]2CCN[C@@H](C)C2)CCOCC1 ZINC001246268056 1140880208 /nfs/dbraw/zinc/88/02/08/1140880208.db2.gz GYPUTENNICTSLY-HOTGVXAUSA-N 1 3 318.461 2.474 20 0 DEADHO C[C@@H]1CC[C@H]([NH2+]C2CCN(Cc3ccc(O)cc3)CC2)CN1 ZINC001246357592 1140887531 /nfs/dbraw/zinc/88/75/31/1140887531.db2.gz BPQNAMNXEVWUBW-PBHICJAKSA-N 1 3 303.450 2.087 20 0 DEADHO C[C@H]1CC[C@H]([NH2+]C2CCN(Cc3ccc(O)cc3)CC2)CN1 ZINC001246357595 1140887591 /nfs/dbraw/zinc/88/75/91/1140887591.db2.gz BPQNAMNXEVWUBW-YOEHRIQHSA-N 1 3 303.450 2.087 20 0 DEADHO FC(F)(F)[C@@H]1C[C@H]([NH2+]C2(CC3CC3)CCNCC2)CCN1 ZINC001246379749 1140891407 /nfs/dbraw/zinc/89/14/07/1140891407.db2.gz BXWQETUKXYOUNL-OLZOCXBDSA-N 1 3 305.388 2.181 20 0 DEADHO C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)C3CCCC3)CC2)CCN1 ZINC001246404533 1140894902 /nfs/dbraw/zinc/89/49/02/1140894902.db2.gz OHNRTEQXQXMPPX-HJWJTTGWSA-N 1 3 307.482 2.334 20 0 DEADHO Cc1ccc(C2(CN[C@H]3CC[NH2+][C@@H](C)C3)CCOCC2)nc1 ZINC001246437955 1140898995 /nfs/dbraw/zinc/89/89/95/1140898995.db2.gz GLNMLLMHRNEOJU-HOTGVXAUSA-N 1 3 303.450 2.168 20 0 DEADHO Cc1ccc(C2(C[NH2+][C@H]3CCN[C@@H](C)C3)CCOCC2)nc1 ZINC001246437955 1140898996 /nfs/dbraw/zinc/89/89/96/1140898996.db2.gz GLNMLLMHRNEOJU-HOTGVXAUSA-N 1 3 303.450 2.168 20 0 DEADHO C1[C@H]([NH2+]C2CCC(C3CCC4(CC3)OCCO4)CC2)C12CNC2 ZINC001246442541 1140899301 /nfs/dbraw/zinc/89/93/01/1140899301.db2.gz CYSYCOCXNKNCBS-PREGVCBESA-N 1 3 320.477 2.430 20 0 DEADHO C1[C@H](NC2CCC(C3CCC4(CC3)OCCO4)CC2)C12C[NH2+]C2 ZINC001246442541 1140899304 /nfs/dbraw/zinc/89/93/04/1140899304.db2.gz CYSYCOCXNKNCBS-PREGVCBESA-N 1 3 320.477 2.430 20 0 DEADHO COC(=O)[C@@H]1CCC[C@@H](N2CCC(F)(F)[C@@H](C[NH3+])C2)CC1 ZINC001246553557 1140958051 /nfs/dbraw/zinc/95/80/51/1140958051.db2.gz BFYVOXVACKRXAO-FRRDWIJNSA-N 1 3 304.381 2.024 20 0 DEADHO COC(=O)c1ccc(C[C@H](C)[N@@H+]2CCCC[C@@H](CN)C2)cc1 ZINC001246579592 1140981820 /nfs/dbraw/zinc/98/18/20/1140981820.db2.gz CGZNTUUCQXVVIA-HOCLYGCPSA-N 1 3 304.434 2.465 20 0 DEADHO COC(=O)c1ccc(C[C@H](C)[N@H+]2CCCC[C@@H](CN)C2)cc1 ZINC001246579592 1140981851 /nfs/dbraw/zinc/98/18/51/1140981851.db2.gz CGZNTUUCQXVVIA-HOCLYGCPSA-N 1 3 304.434 2.465 20 0 DEADHO CCCCCC[C@H](CC)[N@@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246622964 1141009705 /nfs/dbraw/zinc/00/97/05/1141009705.db2.gz AROJBACHKFFWMJ-MAUKXSAKSA-N 1 3 307.482 2.147 20 0 DEADHO CCCCCC[C@H](CC)[N@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246622964 1141009717 /nfs/dbraw/zinc/00/97/17/1141009717.db2.gz AROJBACHKFFWMJ-MAUKXSAKSA-N 1 3 307.482 2.147 20 0 DEADHO Cc1cccc(C[NH2+]C/C=C\CNC(=O)CN(C)C2CCC2)c1 ZINC001321097777 1141052139 /nfs/dbraw/zinc/05/21/39/1141052139.db2.gz ZJIWTXHBGMPVHI-ARJAWSKDSA-N 1 3 315.461 2.241 20 0 DEADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)CCN1 ZINC001246753880 1141052136 /nfs/dbraw/zinc/05/21/36/1141052136.db2.gz DKHLAKNWCWJRIB-OQIJWPOYSA-N 1 3 322.493 2.282 20 0 DEADHO C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)CCN1 ZINC001246753880 1141052144 /nfs/dbraw/zinc/05/21/44/1141052144.db2.gz DKHLAKNWCWJRIB-OQIJWPOYSA-N 1 3 322.493 2.282 20 0 DEADHO Cc1cccc(C[NH2+]C/C=C/CNC(=O)CN(C)C2CCC2)c1 ZINC001321097778 1141052437 /nfs/dbraw/zinc/05/24/37/1141052437.db2.gz ZJIWTXHBGMPVHI-ONEGZZNKSA-N 1 3 315.461 2.241 20 0 DEADHO CN1CCN(CC[NH2+]Cc2ccc3c(c2)CCC3)CC1(C)C ZINC001321178767 1141077284 /nfs/dbraw/zinc/07/72/84/1141077284.db2.gz PUBHYZYZNKYPGB-UHFFFAOYSA-N 1 3 301.478 2.291 20 0 DEADHO CCOC(=O)c1ccc(C[C@@H](C)N2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1 ZINC001246840704 1141082125 /nfs/dbraw/zinc/08/21/25/1141082125.db2.gz JIDNYCBNBWZHPJ-NKGKWGDASA-N 1 3 316.445 2.463 20 0 DEADHO C[C@H]1CCN(CC(=O)NC/C=C/C[NH2+]CCC2=CCCCC2)C1 ZINC001321249094 1141098343 /nfs/dbraw/zinc/09/83/43/1141098343.db2.gz ICARMNSJVNRLAG-RTRPANQVSA-N 1 3 319.493 2.481 20 0 DEADHO CC[C@H](C(=O)NC/C=C/C[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001321337582 1141178391 /nfs/dbraw/zinc/17/83/91/1141178391.db2.gz PFRNKXZEKSDGND-SQRWCISFSA-N 1 3 323.868 2.442 20 0 DEADHO FC(F)(F)[C@@H]1CNCCN1[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246993446 1141228763 /nfs/dbraw/zinc/22/87/63/1141228763.db2.gz TVEMOMHFFYJUAL-KKUMJFAQSA-N 1 3 313.367 2.316 20 0 DEADHO C[C@@H](C[NH2+]CCC1=CCCCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001321991616 1141377503 /nfs/dbraw/zinc/37/75/03/1141377503.db2.gz QDZLLZYWNKPABP-HOTGVXAUSA-N 1 3 307.482 2.313 20 0 DEADHO Cc1ccc(F)c(C[NH2+]CCCN(C)C(=O)CN2CCCC2)c1 ZINC001322837456 1141737073 /nfs/dbraw/zinc/73/70/73/1141737073.db2.gz VRLWQJVSGLACBW-UHFFFAOYSA-N 1 3 321.440 2.168 20 0 DEADHO CCN1C[C@@H]2C[NH+](Cc3ccc(-c4ccn(C)n4)cc3)C[C@H]2C1 ZINC001248768338 1141814339 /nfs/dbraw/zinc/81/43/39/1141814339.db2.gz TUKSNDWQTNKUHT-QZTJIDSGSA-N 1 3 310.445 2.471 20 0 DEADHO COc1cccc([C@H](O)C[NH2+][C@H]2CCN(C(C)C)C[C@@H]2C)c1 ZINC001250740967 1142301719 /nfs/dbraw/zinc/30/17/19/1142301719.db2.gz DEZIANOFKODRFT-JCGIZDLHSA-N 1 3 306.450 2.437 20 0 DEADHO CC1CCN(CCC[NH2+]C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC001251941111 1142553732 /nfs/dbraw/zinc/55/37/32/1142553732.db2.gz KVYBSDXNDNXQHC-QGZVFWFLSA-N 1 3 324.440 2.277 20 0 DEADHO CCCN(CCC[NH+](C)C)C[C@@H](O)COCc1ccccc1 ZINC001252287130 1142674012 /nfs/dbraw/zinc/67/40/12/1142674012.db2.gz FZGQXQNPOHJRFY-GOSISDBHSA-N 1 3 308.466 2.228 20 0 DEADHO CCC[C@@H](O)C[NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1 ZINC001252800052 1142818367 /nfs/dbraw/zinc/81/83/67/1142818367.db2.gz BLXTYLPPTVPRNI-LJQANCHMSA-N 1 3 319.493 2.075 20 0 DEADHO C[NH+](C)CCCCC(=O)N1C[C@H](NC/C=C/Cl)C(C)(C)C1 ZINC001278684702 1142824207 /nfs/dbraw/zinc/82/42/07/1142824207.db2.gz JDUQDCQMZNLCIM-KGXGESDWSA-N 1 3 315.889 2.297 20 0 DEADHO C[NH+](C)CCCCC(=O)N1C[C@@H](NC/C=C/Cl)C(C)(C)C1 ZINC001278684704 1142824405 /nfs/dbraw/zinc/82/44/05/1142824405.db2.gz JDUQDCQMZNLCIM-RCQQVGEISA-N 1 3 315.889 2.297 20 0 DEADHO CC[NH+](CC)C[C@@H](O)CNCC1(Cc2cccc(F)c2)CC1 ZINC001253212204 1142855134 /nfs/dbraw/zinc/85/51/34/1142855134.db2.gz GDZPVMVVVZBALJ-KRWDZBQOSA-N 1 3 308.441 2.441 20 0 DEADHO CC(C)(C)[NH2+]C[C@@H](O)CNCCCCCCCCCCO ZINC001253407169 1142869692 /nfs/dbraw/zinc/86/96/92/1142869692.db2.gz GEFLIPUOUNPBAP-INIZCTEOSA-N 1 3 302.503 2.438 20 0 DEADHO CC(C)(C)NC[C@@H](O)C[NH2+]CCCCCCCCCCO ZINC001253407169 1142869694 /nfs/dbraw/zinc/86/96/94/1142869694.db2.gz GEFLIPUOUNPBAP-INIZCTEOSA-N 1 3 302.503 2.438 20 0 DEADHO O=C1CCC[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254051300 1143032532 /nfs/dbraw/zinc/03/25/32/1143032532.db2.gz GZOMNWOOYVCXQH-QGZVFWFLSA-N 1 3 316.445 2.115 20 0 DEADHO C[N@@H+]1CCC[C@@H](n2nc(C(F)(F)F)c3c2CCNC3)CC1 ZINC001254529581 1143223345 /nfs/dbraw/zinc/22/33/45/1143223345.db2.gz OAWDHJWQFIVTIM-SNVBAGLBSA-N 1 3 302.344 2.204 20 0 DEADHO C[N@H+]1CCC[C@@H](n2nc(C(F)(F)F)c3c2CCNC3)CC1 ZINC001254529581 1143223358 /nfs/dbraw/zinc/22/33/58/1143223358.db2.gz OAWDHJWQFIVTIM-SNVBAGLBSA-N 1 3 302.344 2.204 20 0 DEADHO CC[NH+](CC)CCCN1CCN([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254956787 1143372356 /nfs/dbraw/zinc/37/23/56/1143372356.db2.gz ODVMDAIGILBYDZ-PIIMJCKOSA-N 1 3 321.509 2.094 20 0 DEADHO C[NH2+]CCCCC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC001340790462 1143442397 /nfs/dbraw/zinc/44/23/97/1143442397.db2.gz KSRAIHWKKKDELW-CQSZACIVSA-N 1 3 309.479 2.391 20 0 DEADHO C[C@@H](CN)C[N@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001255229059 1143520072 /nfs/dbraw/zinc/52/00/72/1143520072.db2.gz JHHMOPMZCXFZAA-BYNSBNAKSA-N 1 3 311.470 2.444 20 0 DEADHO C[C@@H](CN)C[N@@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001255229059 1143520084 /nfs/dbraw/zinc/52/00/84/1143520084.db2.gz JHHMOPMZCXFZAA-BYNSBNAKSA-N 1 3 311.470 2.444 20 0 DEADHO Cc1ccccc1CN1CC[C@@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001479240240 1143801444 /nfs/dbraw/zinc/80/14/44/1143801444.db2.gz DHJSLUVAGRHILP-GOSISDBHSA-N 1 3 317.477 2.370 20 0 DEADHO CCO[C@@H]1CO[C@@]2(C1)CCCN(C1CC[NH+](C3CC3)CC1)C2 ZINC001256076454 1143827621 /nfs/dbraw/zinc/82/76/21/1143827621.db2.gz JJUCUXRCDNQJCP-ZWKOTPCHSA-N 1 3 308.466 2.273 20 0 DEADHO COC(=O)[C@H](CNC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC001256074007 1143827709 /nfs/dbraw/zinc/82/77/09/1143827709.db2.gz HTERGPVRXRJTFP-QGZVFWFLSA-N 1 3 302.418 2.160 20 0 DEADHO CN1CCC([NH2+][C@@H](Cc2ccccc2)CN2CCCC2)CC1 ZINC001256200324 1143834568 /nfs/dbraw/zinc/83/45/68/1143834568.db2.gz QSJWEXSQJJKCJW-IBGZPJMESA-N 1 3 301.478 2.377 20 0 DEADHO CN1CC2(C1)CC[NH+](C1CCN(C(=O)OC(C)(C)C)CC1)CC2 ZINC001256297309 1143841042 /nfs/dbraw/zinc/84/10/42/1143841042.db2.gz ZVHXXKZQGSYZLN-UHFFFAOYSA-N 1 3 323.481 2.414 20 0 DEADHO C[C@@H](Cc1ccccn1)N[C@@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001256403424 1143846835 /nfs/dbraw/zinc/84/68/35/1143846835.db2.gz YSWRKDMPYANSPQ-DZGCQCFKSA-N 1 3 322.453 2.192 20 0 DEADHO C1CCC(N2CC[C@@H]([NH2+]C3CCC(N4CCOCC4)CC3)C2)C1 ZINC001256681132 1143861827 /nfs/dbraw/zinc/86/18/27/1143861827.db2.gz LEPXDHOVCNGZET-TVRKMHQQSA-N 1 3 321.509 2.236 20 0 DEADHO CC(C)(C)OC(=O)N1CC2(C1)CCC([NH2+]C1CC(N)C1)CC2 ZINC001257754690 1143952434 /nfs/dbraw/zinc/95/24/34/1143952434.db2.gz WAMMQCQSTCGIME-UHFFFAOYSA-N 1 3 309.454 2.245 20 0 DEADHO CC(C)CN1CCC([NH2+][C@@H]2CCN(c3ccccn3)C2)CC1 ZINC001258008133 1143964825 /nfs/dbraw/zinc/96/48/25/1143964825.db2.gz GPYWAPVHFMPVBY-QGZVFWFLSA-N 1 3 302.466 2.370 20 0 DEADHO CC(=O)N1CCC2(C1)CCN(C1CC[NH+](CC(C)C)CC1)CC2 ZINC001258013527 1143965620 /nfs/dbraw/zinc/96/56/20/1143965620.db2.gz SXLAPNZQTFKQJX-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[N@H+](CCCN)C1CCN(C(=O)c2ccccc2)CC1 ZINC001258636418 1144029230 /nfs/dbraw/zinc/02/92/30/1144029230.db2.gz JGQNSNNWOZAYFF-UHFFFAOYSA-N 1 3 303.450 2.350 20 0 DEADHO CC(C)[N@@H+](CCCN)C1CCN(C(=O)c2ccccc2)CC1 ZINC001258636418 1144029236 /nfs/dbraw/zinc/02/92/36/1144029236.db2.gz JGQNSNNWOZAYFF-UHFFFAOYSA-N 1 3 303.450 2.350 20 0 DEADHO CCCN1CCC([NH2+][C@H](CO)c2cccc(COC)c2)CC1 ZINC001258770995 1144040048 /nfs/dbraw/zinc/04/00/48/1144040048.db2.gz SPWXLWCVPXOQEJ-GOSISDBHSA-N 1 3 306.450 2.330 20 0 DEADHO CNC(=O)C[N@@H+]1CCCC12CCN([C@H]1CCC[C@@H](C)C1)CC2 ZINC001258820615 1144044197 /nfs/dbraw/zinc/04/41/97/1144044197.db2.gz MNALSDVRWNGDOF-CVEARBPZSA-N 1 3 307.482 2.242 20 0 DEADHO CNC(=O)C[N@H+]1CCCC12CCN([C@H]1CCC[C@@H](C)C1)CC2 ZINC001258820615 1144044199 /nfs/dbraw/zinc/04/41/99/1144044199.db2.gz MNALSDVRWNGDOF-CVEARBPZSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1)N(C)C ZINC001264437026 1144539959 /nfs/dbraw/zinc/53/99/59/1144539959.db2.gz OUHVVYFOZGDPMF-ULQDDVLXSA-N 1 3 307.482 2.311 20 0 DEADHO CC(C)=CC[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001266075774 1144803143 /nfs/dbraw/zinc/80/31/43/1144803143.db2.gz RKMLUXYDPUKNIK-LSDHHAIUSA-N 1 3 304.438 2.244 20 0 DEADHO CC(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001280082787 1144831750 /nfs/dbraw/zinc/83/17/50/1144831750.db2.gz FVWPLFQBAIOBPU-IRXDYDNUSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)C[C@H](C)C[NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001280207981 1144833711 /nfs/dbraw/zinc/83/37/11/1144833711.db2.gz QGWIEBJEJCCJCJ-HOTGVXAUSA-N 1 3 320.481 2.463 20 0 DEADHO OC1(C[NH+]2CCCCC2)CCN(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC001364520768 1145313723 /nfs/dbraw/zinc/31/37/23/1145313723.db2.gz FMABWYMUUKWLCA-BZSNNMDCSA-N 1 3 322.493 2.257 20 0 DEADHO CCN1CCN(Cc2ccccc2C[NH2+]C2CCOCC2)CC1 ZINC001364579992 1145357001 /nfs/dbraw/zinc/35/70/01/1145357001.db2.gz CGMLZWFWXMZZBR-UHFFFAOYSA-N 1 3 317.477 2.093 20 0 DEADHO CC[NH2+]C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@@H]1C ZINC001364647162 1145400424 /nfs/dbraw/zinc/40/04/24/1145400424.db2.gz WZZBWEDGPNYMRG-YJBOKZPZSA-N 1 3 317.477 2.456 20 0 DEADHO COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]CC[C@@H](C)N3CCCCC3)[C@H]2C1 ZINC001364952349 1145708301 /nfs/dbraw/zinc/70/83/01/1145708301.db2.gz BYFJYJTUSHSBRY-MTSZKFMLSA-N 1 3 308.466 2.428 20 0 DEADHO CCN(CCNC(=O)C1CC1)Cc1ccc(C[NH+](C)C)cc1 ZINC001365320147 1145846464 /nfs/dbraw/zinc/84/64/64/1145846464.db2.gz MFXMUZVWUSPLIY-UHFFFAOYSA-N 1 3 303.450 2.096 20 0 DEADHO CCc1ncc(C[NH2+]C[C@H](C)CN2CCN(CC)CC2)s1 ZINC001365360165 1145858640 /nfs/dbraw/zinc/85/86/40/1145858640.db2.gz OVWQPRSKWQULBJ-AWEZNQCLSA-N 1 3 310.511 2.069 20 0 DEADHO COC1(CN2CCN(CC[NH+]3CCCC3)CC2)CCCCCC1 ZINC001365560208 1145893022 /nfs/dbraw/zinc/89/30/22/1145893022.db2.gz JAXBYLQNIQYBDT-UHFFFAOYSA-N 1 3 323.525 2.439 20 0 DEADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cccn1C(F)F ZINC001365595904 1145899218 /nfs/dbraw/zinc/89/92/18/1145899218.db2.gz CMHGZEDZPKLTSH-UHFFFAOYSA-N 1 3 314.424 2.341 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+][C@@H](CO)CC2CCC2)CC1 ZINC001365600690 1145901979 /nfs/dbraw/zinc/90/19/79/1145901979.db2.gz FTSMMBBJEZOVAG-LXPRWKDFSA-N 1 3 310.482 2.161 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CC=C(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001284957741 1145991934 /nfs/dbraw/zinc/99/19/34/1145991934.db2.gz OMKLJFLICOXGGO-CVEARBPZSA-N 1 3 307.482 2.123 20 0 DEADHO CC[C@@H](C)C[N@H+]1CC=C(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001284957741 1145991930 /nfs/dbraw/zinc/99/19/30/1145991930.db2.gz OMKLJFLICOXGGO-CVEARBPZSA-N 1 3 307.482 2.123 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C[C@@H]1CCN1CC1CCC1)[NH+]1CCCC1 ZINC001365803247 1146014481 /nfs/dbraw/zinc/01/44/81/1146014481.db2.gz KETFVGPEBAZXCV-ROUUACIJSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCN1Cc1ccccc1 ZINC001365895564 1146047696 /nfs/dbraw/zinc/04/76/96/1146047696.db2.gz MPFQBQNZQNWUFV-WBVHZDCISA-N 1 3 303.450 2.107 20 0 DEADHO CC(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001366075124 1147041639 /nfs/dbraw/zinc/04/16/39/1147041639.db2.gz FIRJBNSNQOXESW-SJORKVTESA-N 1 3 311.514 2.399 20 0 DEADHO CC(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001366075124 1147041643 /nfs/dbraw/zinc/04/16/43/1147041643.db2.gz FIRJBNSNQOXESW-SJORKVTESA-N 1 3 311.514 2.399 20 0 DEADHO Cc1cc(C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C)cs1 ZINC001366349905 1147228198 /nfs/dbraw/zinc/22/81/98/1147228198.db2.gz XSABNAXKFCWPCJ-WFASDCNBSA-N 1 3 311.495 2.237 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H](C)NCc1ccccc1F)[NH+](C)C ZINC001366350123 1147228706 /nfs/dbraw/zinc/22/87/06/1147228706.db2.gz YTQDAILHPSDZMO-CJNGLKHVSA-N 1 3 309.429 2.006 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001366365789 1147237012 /nfs/dbraw/zinc/23/70/12/1147237012.db2.gz KYKZZBDBNYDIDX-DYVFJYSZSA-N 1 3 321.440 2.248 20 0 DEADHO C[C@H](CCNC(=O)C(C)(C)N1CCCCC1)[NH2+]C/C=C\Cl ZINC001366465114 1147295888 /nfs/dbraw/zinc/29/58/88/1147295888.db2.gz QUSHNBLKFLKNOZ-IUCKJTJTSA-N 1 3 315.889 2.488 20 0 DEADHO CC[C@@H](C)C[N@H+](C)CCNC(=O)c1cccc(CN(C)C)c1 ZINC001366598460 1147381522 /nfs/dbraw/zinc/38/15/22/1147381522.db2.gz VYONXVQGBRHURY-OAHLLOKOSA-N 1 3 305.466 2.456 20 0 DEADHO CC[C@@H](C)C[N@@H+](C)CCNC(=O)c1cccc(CN(C)C)c1 ZINC001366598460 1147381527 /nfs/dbraw/zinc/38/15/27/1147381527.db2.gz VYONXVQGBRHURY-OAHLLOKOSA-N 1 3 305.466 2.456 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CC1)N1CCCC1 ZINC001366677713 1147473959 /nfs/dbraw/zinc/47/39/59/1147473959.db2.gz PNMSQOMCLPKQFO-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1CC1)N1CCCC1 ZINC001366677713 1147473968 /nfs/dbraw/zinc/47/39/68/1147473968.db2.gz PNMSQOMCLPKQFO-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H](c1cccc(F)c1)N(CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001366750892 1147537672 /nfs/dbraw/zinc/53/76/72/1147537672.db2.gz JPLLYEIQPMLANB-AWEZNQCLSA-N 1 3 321.440 2.419 20 0 DEADHO Cc1cc(CN2CC[C@@H](NC(=O)CCC[NH+](C)C)C2)c(C)s1 ZINC001367031860 1147636920 /nfs/dbraw/zinc/63/69/20/1147636920.db2.gz BKUBFAIGSDIDKS-MRXNPFEDSA-N 1 3 323.506 2.397 20 0 DEADHO CC[C@@H](CNC(=O)CC[NH+](C)C)N[C@H](C)c1ccccc1F ZINC001367129219 1147653902 /nfs/dbraw/zinc/65/39/02/1147653902.db2.gz SFOZXLITQJGXTP-KGLIPLIRSA-N 1 3 309.429 2.323 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+]CC1CC(C)(C)C1 ZINC001367287331 1147674276 /nfs/dbraw/zinc/67/42/76/1147674276.db2.gz KYFHXBKLTOBTBH-LBPRGKRZSA-N 1 3 306.454 2.039 20 0 DEADHO CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001317323862 1147690799 /nfs/dbraw/zinc/69/07/99/1147690799.db2.gz VDUPKKSDQIAYQY-JFDDCEBESA-N 1 3 307.482 2.265 20 0 DEADHO C[C@@H](c1ccccc1)N(C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001367534247 1147710931 /nfs/dbraw/zinc/71/09/31/1147710931.db2.gz MNYSSMYNFFEUOS-INIZCTEOSA-N 1 3 317.477 2.480 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001367705215 1147729992 /nfs/dbraw/zinc/72/99/92/1147729992.db2.gz CMHVDBADQQHVBD-CZUORRHYSA-N 1 3 309.429 2.091 20 0 DEADHO C[C@@H](C[N@H+](C)CCc1cccs1)NC(=O)CN1CC[C@@H](C)C1 ZINC001367834643 1147756328 /nfs/dbraw/zinc/75/63/28/1147756328.db2.gz NRCMFDTZKCYJBF-CABCVRRESA-N 1 3 323.506 2.069 20 0 DEADHO C[C@@H](C[N@@H+](C)CCc1cccs1)NC(=O)CN1CC[C@@H](C)C1 ZINC001367834643 1147756330 /nfs/dbraw/zinc/75/63/30/1147756330.db2.gz NRCMFDTZKCYJBF-CABCVRRESA-N 1 3 323.506 2.069 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CC[N@H+](CCCCCF)C1)N1CCCC1 ZINC001318346967 1147814554 /nfs/dbraw/zinc/81/45/54/1147814554.db2.gz LWJMDPLFBKFYNR-OAHLLOKOSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CC[N@@H+](CCCCCF)C1)N1CCCC1 ZINC001318346967 1147814556 /nfs/dbraw/zinc/81/45/56/1147814556.db2.gz LWJMDPLFBKFYNR-OAHLLOKOSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H](CC[NH2+]CC2CCC2)C1)N(C)C ZINC001326353612 1148084325 /nfs/dbraw/zinc/08/43/25/1148084325.db2.gz SIVGUMUXTXXARE-IAGOWNOFSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(Br)cc1 ZINC000422766544 230197434 /nfs/dbraw/zinc/19/74/34/230197434.db2.gz RUAAYPMXKNIMPV-GDLCADMTSA-N 1 3 313.239 2.291 20 0 DEADHO CCC(CC)(C[NH2+][C@H](C)c1ccc(CN)nc1C)C(=O)OC ZINC000423032144 282122440 /nfs/dbraw/zinc/12/24/40/282122440.db2.gz DXFMXYOAJKTSLW-GFCCVEGCSA-N 1 3 307.438 2.479 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000418235219 529609603 /nfs/dbraw/zinc/60/96/03/529609603.db2.gz LEYWIAXYPPBLNN-PBHICJAKSA-N 1 3 320.481 2.277 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000418235219 529609606 /nfs/dbraw/zinc/60/96/06/529609606.db2.gz LEYWIAXYPPBLNN-PBHICJAKSA-N 1 3 320.481 2.277 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000417835849 529616427 /nfs/dbraw/zinc/61/64/27/529616427.db2.gz OHZXDRHKXTYCMI-QZTJIDSGSA-N 1 3 311.429 2.108 20 0 DEADHO CC[NH+](CC)CCOc1ccc(CN[C@H]2CCOC2)cc1OC ZINC000088684217 185262458 /nfs/dbraw/zinc/26/24/58/185262458.db2.gz MVEZDWGFNZISCA-INIZCTEOSA-N 1 3 322.449 2.294 20 0 DEADHO c1ccc(CN2CCC(OCCC[NH2+][C@@H]3CCOC3)CC2)cc1 ZINC000088739672 185263717 /nfs/dbraw/zinc/26/37/17/185263717.db2.gz KKUZRTCRZIDGNB-GOSISDBHSA-N 1 3 318.461 2.436 20 0 DEADHO C[C@H](C(=O)N(CC[NH3+])Cc1ccccc1)N1CCCCCC1 ZINC000184170145 282246054 /nfs/dbraw/zinc/24/60/54/282246054.db2.gz HXXOWWKVTFDCOD-MRXNPFEDSA-N 1 3 303.450 2.238 20 0 DEADHO C[NH2+]Cc1ccc(NC(=O)N[C@H](C)CN2CCCCC2)cc1 ZINC000415994668 530006893 /nfs/dbraw/zinc/00/68/93/530006893.db2.gz WCKBFIPWSKCDDV-CQSZACIVSA-N 1 3 304.438 2.402 20 0 DEADHO CN1CCC(Oc2ccc(CN[C@@H]3CCC[C@@H]3[NH3+])cc2)CC1 ZINC000423105445 530051023 /nfs/dbraw/zinc/05/10/23/530051023.db2.gz NIFQUWCXZTYVEY-ZWKOTPCHSA-N 1 3 303.450 2.129 20 0 DEADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(N)CCCC1 ZINC000237241372 282376251 /nfs/dbraw/zinc/37/62/51/282376251.db2.gz XDHRKBSECBDNOJ-QGZVFWFLSA-N 1 3 315.461 2.238 20 0 DEADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1(N)CCCC1 ZINC000237241372 282376252 /nfs/dbraw/zinc/37/62/52/282376252.db2.gz XDHRKBSECBDNOJ-QGZVFWFLSA-N 1 3 315.461 2.238 20 0 DEADHO CN(C)CCOc1ccc(CN2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000092938305 539429248 /nfs/dbraw/zinc/42/92/48/539429248.db2.gz AUVPQFDKKWOSFT-QGZVFWFLSA-N 1 3 305.466 2.153 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000162256777 539596281 /nfs/dbraw/zinc/59/62/81/539596281.db2.gz HYOOSLYGWPYVGD-IAGOWNOFSA-N 1 3 301.434 2.282 20 0 DEADHO CC(C)[NH2+]CCC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000166210353 539609749 /nfs/dbraw/zinc/60/97/49/539609749.db2.gz DBARIOYQIIMQOJ-UHFFFAOYSA-N 1 3 323.506 2.464 20 0 DEADHO CO[C@H](c1ccccc1)[C@H](C)NCCC[NH+]1CCC(O)CC1 ZINC000279826025 215179352 /nfs/dbraw/zinc/17/93/52/215179352.db2.gz YNMGPQJOPSGWRS-YJBOKZPZSA-N 1 3 306.450 2.199 20 0 DEADHO CCc1ccc([C@H](CNC(=O)CC2([NH3+])CCC2)N(C)C)cc1 ZINC000236979845 539742497 /nfs/dbraw/zinc/74/24/97/539742497.db2.gz XUXJJISYYROFPA-INIZCTEOSA-N 1 3 303.450 2.239 20 0 DEADHO CN1CCC(CC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000366020110 282689797 /nfs/dbraw/zinc/68/97/97/282689797.db2.gz ZPEGJEICDASUGZ-KRWDZBQOSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@H](C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)N1[C@H](C)CC[C@@H]1C ZINC000616994817 362985213 /nfs/dbraw/zinc/98/52/13/362985213.db2.gz FXWHROKBKBSBJD-QKPAOTATSA-N 1 3 309.498 2.484 20 0 DEADHO C[C@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)N1[C@H](C)CC[C@@H]1C ZINC000616994817 362985220 /nfs/dbraw/zinc/98/52/20/362985220.db2.gz FXWHROKBKBSBJD-QKPAOTATSA-N 1 3 309.498 2.484 20 0 DEADHO OCC1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000305740501 539873792 /nfs/dbraw/zinc/87/37/92/539873792.db2.gz YKOWGQAYZDFEPK-UHFFFAOYSA-N 1 3 318.461 2.366 20 0 DEADHO CN(C)Cc1cccc(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)c1 ZINC000315086661 539884076 /nfs/dbraw/zinc/88/40/76/539884076.db2.gz GUDNGVLLGPODCI-AWEZNQCLSA-N 1 3 315.339 2.229 20 0 DEADHO CC(C)N1CCC([NH2+][C@@H](C)C(=O)NCc2cccs2)CC1 ZINC000173614648 198232709 /nfs/dbraw/zinc/23/27/09/198232709.db2.gz IFRWNNOSLPZJBS-ZDUSSCGKSA-N 1 3 309.479 2.215 20 0 DEADHO [NH3+]C[C@H](NC(=O)N1CCN(C2CCCCC2)CC1)C1CCCC1 ZINC000333804585 539972266 /nfs/dbraw/zinc/97/22/66/539972266.db2.gz IJPJFQKCFIUKCJ-KRWDZBQOSA-N 1 3 322.497 2.164 20 0 DEADHO CN(CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccc(F)cc1 ZINC000339067706 539985502 /nfs/dbraw/zinc/98/55/02/539985502.db2.gz KUJFWTSWKWOCLW-ROUUACIJSA-N 1 3 305.441 2.474 20 0 DEADHO CN(CCN[C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccc(F)cc1 ZINC000339067706 539985503 /nfs/dbraw/zinc/98/55/03/539985503.db2.gz KUJFWTSWKWOCLW-ROUUACIJSA-N 1 3 305.441 2.474 20 0 DEADHO CN(C)C(=O)c1cccc(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339072739 539985860 /nfs/dbraw/zinc/98/58/60/539985860.db2.gz YQLFYNMLBRKJGV-ROUUACIJSA-N 1 3 315.461 2.147 20 0 DEADHO CN(C)C(=O)c1cccc(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339072739 539985866 /nfs/dbraw/zinc/98/58/66/539985866.db2.gz YQLFYNMLBRKJGV-ROUUACIJSA-N 1 3 315.461 2.147 20 0 DEADHO C[NH+]1CCC(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000174553511 198351776 /nfs/dbraw/zinc/35/17/76/198351776.db2.gz GNUFRKIGUCQAHM-SFHVURJKSA-N 1 3 315.461 2.282 20 0 DEADHO C[NH+](C)Cc1cccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)c1 ZINC000174869195 198395286 /nfs/dbraw/zinc/39/52/86/198395286.db2.gz UADRVNAZCSEPPL-KRWDZBQOSA-N 1 3 314.433 2.226 20 0 DEADHO C[C@@H](CCNC(=O)c1cccc(CN2CCCC2)c1)[NH+](C)C ZINC000617750685 363251773 /nfs/dbraw/zinc/25/17/73/363251773.db2.gz JRJXXTCSEUYFQY-HNNXBMFYSA-N 1 3 303.450 2.352 20 0 DEADHO C[C@H](CNC[C@@H]1C[NH2+]C[C@H]1O)Cc1ccc(C(C)(C)C)cc1 ZINC000345992266 540014879 /nfs/dbraw/zinc/01/48/79/540014879.db2.gz APKJUAXUADDDEP-YXJHDRRASA-N 1 3 304.478 2.333 20 0 DEADHO CC(C)(N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000236785786 202007503 /nfs/dbraw/zinc/00/75/03/202007503.db2.gz XCAZJOFUJRDZBC-MQVJKMGUSA-N 1 3 301.434 2.036 20 0 DEADHO CC(C)(N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000236785786 202007507 /nfs/dbraw/zinc/00/75/07/202007507.db2.gz XCAZJOFUJRDZBC-MQVJKMGUSA-N 1 3 301.434 2.036 20 0 DEADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000292210063 222911574 /nfs/dbraw/zinc/91/15/74/222911574.db2.gz QBINFORRYTWOFL-CQSZACIVSA-N 1 3 301.434 2.301 20 0 DEADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CC[C@@H]2C2CC2)c1 ZINC000348106583 540020309 /nfs/dbraw/zinc/02/03/09/540020309.db2.gz HYDLHQBCDWFLOB-QZTJIDSGSA-N 1 3 315.461 2.256 20 0 DEADHO C[C@H](CCN1CCC[C@](C)(O)CC1)[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000348379190 540022032 /nfs/dbraw/zinc/02/20/32/540022032.db2.gz UJQSSZHIZKOZOC-FGTMMUONSA-N 1 3 312.498 2.239 20 0 DEADHO C[C@H](CCN1CCC[C@](C)(O)CC1)[N@H+]1CCC[C@@](C)(O)CC1 ZINC000348379190 540022035 /nfs/dbraw/zinc/02/20/35/540022035.db2.gz UJQSSZHIZKOZOC-FGTMMUONSA-N 1 3 312.498 2.239 20 0 DEADHO C[C@H](CC[N@@H+]1CCC[C@](C)(O)CC1)N1CCC[C@@](C)(O)CC1 ZINC000348379190 540022038 /nfs/dbraw/zinc/02/20/38/540022038.db2.gz UJQSSZHIZKOZOC-FGTMMUONSA-N 1 3 312.498 2.239 20 0 DEADHO C[C@H](CC[N@H+]1CCC[C@](C)(O)CC1)N1CCC[C@@](C)(O)CC1 ZINC000348379190 540022041 /nfs/dbraw/zinc/02/20/41/540022041.db2.gz UJQSSZHIZKOZOC-FGTMMUONSA-N 1 3 312.498 2.239 20 0 DEADHO CCCN(C(=O)[C@@H](C)[C@@H](N)c1ccccc1)C1CC[NH2+]CC1 ZINC000236812746 283016436 /nfs/dbraw/zinc/01/64/36/283016436.db2.gz VGOMZAJHEVCBMV-WMLDXEAASA-N 1 3 303.450 2.313 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N(C)CCN1CCCC1)C(C)C ZINC000072518091 354902521 /nfs/dbraw/zinc/90/25/21/354902521.db2.gz OFQPZJYKLLRQAS-UHFFFAOYSA-N 1 3 312.502 2.233 20 0 DEADHO CN1CC[C@@H]2CCN(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)[C@H]2C1 ZINC000182175826 283065607 /nfs/dbraw/zinc/06/56/07/283065607.db2.gz OHBZRAQOQBDXJY-HIFRSBDPSA-N 1 3 322.497 2.031 20 0 DEADHO CC(C)COc1ccc(C[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000077450333 355206065 /nfs/dbraw/zinc/20/60/65/355206065.db2.gz GCWBVNKZKMUMEE-UHFFFAOYSA-N 1 3 306.450 2.268 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2c2ccccc2)C1 ZINC000414740979 540156576 /nfs/dbraw/zinc/15/65/76/540156576.db2.gz RNLJWFAOVWPGKH-WMZOPIPTSA-N 1 3 315.461 2.411 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2c2ccccc2)C1 ZINC000414740979 540156577 /nfs/dbraw/zinc/15/65/77/540156577.db2.gz RNLJWFAOVWPGKH-WMZOPIPTSA-N 1 3 315.461 2.411 20 0 DEADHO CN(CCCNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000416880474 540163953 /nfs/dbraw/zinc/16/39/53/540163953.db2.gz YECDYGXNTUBGSZ-DLBZAZTESA-N 1 3 318.465 2.078 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(-n4cncn4)cc3)CC[C@@H]21 ZINC000092043564 355616029 /nfs/dbraw/zinc/61/60/29/355616029.db2.gz OYGNYWWCUAYLHI-AEFFLSMTSA-N 1 3 311.433 2.183 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(Cc3ccc(-n4cncn4)cc3)CC[C@@H]21 ZINC000092043564 355616033 /nfs/dbraw/zinc/61/60/33/355616033.db2.gz OYGNYWWCUAYLHI-AEFFLSMTSA-N 1 3 311.433 2.183 20 0 DEADHO CN1CCC[C@@H]2C[N@H+](Cc3ccc(-n4cncn4)cc3)CC[C@@H]21 ZINC000092043564 355616037 /nfs/dbraw/zinc/61/60/37/355616037.db2.gz OYGNYWWCUAYLHI-AEFFLSMTSA-N 1 3 311.433 2.183 20 0 DEADHO CN1CCC[C@@H]2C[N@@H+](Cc3ccc(-n4cncn4)cc3)CC[C@@H]21 ZINC000092043564 355616040 /nfs/dbraw/zinc/61/60/40/355616040.db2.gz OYGNYWWCUAYLHI-AEFFLSMTSA-N 1 3 311.433 2.183 20 0 DEADHO C[N@@H+]1CCC[C@H]2CN(Cc3ccc(-n4cncn4)cc3)CC[C@@H]21 ZINC000092043563 355616371 /nfs/dbraw/zinc/61/63/71/355616371.db2.gz OYGNYWWCUAYLHI-WMZOPIPTSA-N 1 3 311.433 2.183 20 0 DEADHO C[N@H+]1CCC[C@H]2CN(Cc3ccc(-n4cncn4)cc3)CC[C@@H]21 ZINC000092043563 355616375 /nfs/dbraw/zinc/61/63/75/355616375.db2.gz OYGNYWWCUAYLHI-WMZOPIPTSA-N 1 3 311.433 2.183 20 0 DEADHO CN1CCC[C@H]2C[N@H+](Cc3ccc(-n4cncn4)cc3)CC[C@@H]21 ZINC000092043563 355616377 /nfs/dbraw/zinc/61/63/77/355616377.db2.gz OYGNYWWCUAYLHI-WMZOPIPTSA-N 1 3 311.433 2.183 20 0 DEADHO CN1CCC[C@H]2C[N@@H+](Cc3ccc(-n4cncn4)cc3)CC[C@@H]21 ZINC000092043563 355616381 /nfs/dbraw/zinc/61/63/81/355616381.db2.gz OYGNYWWCUAYLHI-WMZOPIPTSA-N 1 3 311.433 2.183 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000449333198 540187447 /nfs/dbraw/zinc/18/74/47/540187447.db2.gz FTCJDLGTVWEKSN-SVGFKBNWSA-N 1 3 301.434 2.066 20 0 DEADHO C[NH+](C)CC[C@H](NC(=O)N[C@H]1CCN(CC2CC2)C1)C(C)(C)C ZINC000116566556 355775379 /nfs/dbraw/zinc/77/53/79/355775379.db2.gz QYJUTFUFCNGASE-HOTGVXAUSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@H](NCCCCC[NH2+][C@@H](C)c1ccn(C)n1)c1ccn(C)n1 ZINC000459782999 540209818 /nfs/dbraw/zinc/20/98/18/540209818.db2.gz HWMBWNULLHLUEZ-GJZGRUSLSA-N 1 3 318.469 2.325 20 0 DEADHO C[C@H](C1CC1)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000184937726 356199629 /nfs/dbraw/zinc/19/96/29/356199629.db2.gz MPLDBJPXMVFPNY-PBHICJAKSA-N 1 3 303.450 2.136 20 0 DEADHO C[C@H](C1CC1)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000184937726 356199631 /nfs/dbraw/zinc/19/96/31/356199631.db2.gz MPLDBJPXMVFPNY-PBHICJAKSA-N 1 3 303.450 2.136 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N1CCC[C@@H](N(C)C)C1)C(C)C ZINC000080729779 192186116 /nfs/dbraw/zinc/18/61/16/192186116.db2.gz RBPNCUITKLWOOW-MRXNPFEDSA-N 1 3 312.502 2.231 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CNC2CC2)CC1 ZINC000237495908 356298519 /nfs/dbraw/zinc/29/85/19/356298519.db2.gz BURMOVCKRQOCSG-HNNXBMFYSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CNC2CC2)CC1 ZINC000237495908 356298524 /nfs/dbraw/zinc/29/85/24/356298524.db2.gz BURMOVCKRQOCSG-HNNXBMFYSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1ccc([C@H](CNC(=O)C[NH2+]C2CC2)N2CCCC2)cc1 ZINC000237916613 356301457 /nfs/dbraw/zinc/30/14/57/356301457.db2.gz QHQKMXJPXZKXCO-KRWDZBQOSA-N 1 3 301.434 2.000 20 0 DEADHO C[C@H]1C[C@@H]1N1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C[C@@H](C)C1 ZINC000452119290 291094777 /nfs/dbraw/zinc/09/47/77/291094777.db2.gz HFGDJDNCNINXOW-XSLAGTTESA-N 1 3 321.509 2.440 20 0 DEADHO C[C@H]1C[C@@H]1N1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)C[C@@H](C)C1 ZINC000452119290 291094780 /nfs/dbraw/zinc/09/47/80/291094780.db2.gz HFGDJDNCNINXOW-XSLAGTTESA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1)N(C)C ZINC000618353821 363469421 /nfs/dbraw/zinc/46/94/21/363469421.db2.gz OAGRDYOHYIVNJY-ZWKOTPCHSA-N 1 3 317.477 2.102 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1)N(C)C ZINC000618353821 363469424 /nfs/dbraw/zinc/46/94/24/363469424.db2.gz OAGRDYOHYIVNJY-ZWKOTPCHSA-N 1 3 317.477 2.102 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000618354510 363470300 /nfs/dbraw/zinc/47/03/00/363470300.db2.gz BWUSYIHAZDXMKH-GOSISDBHSA-N 1 3 317.477 2.104 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000618354510 363470305 /nfs/dbraw/zinc/47/03/05/363470305.db2.gz BWUSYIHAZDXMKH-GOSISDBHSA-N 1 3 317.477 2.104 20 0 DEADHO CCC[C@H](N)C(=O)NC[C@@H](Cc1ccccc1)[NH+](CC)CC ZINC000236866962 202043436 /nfs/dbraw/zinc/04/34/36/202043436.db2.gz GYWWPZKGTIDUAT-SJORKVTESA-N 1 3 305.466 2.183 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000236887150 202053694 /nfs/dbraw/zinc/05/36/94/202053694.db2.gz JPBBGWLOYLZNCJ-PBHICJAKSA-N 1 3 305.466 2.470 20 0 DEADHO Clc1ccccc1CN1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000420354882 283192616 /nfs/dbraw/zinc/19/26/16/283192616.db2.gz DTACNEKNZXASJN-OAHLLOKOSA-N 1 3 307.869 2.457 20 0 DEADHO Cc1ccc(F)c(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423155587 283195702 /nfs/dbraw/zinc/19/57/02/283195702.db2.gz QUZRGQHKPFKUDG-BPQIPLTHSA-N 1 3 306.425 2.423 20 0 DEADHO C[N@H+](CCCNC(=O)[C@@H](N)Cc1ccccc1)C1CCCCC1 ZINC000237068919 202141394 /nfs/dbraw/zinc/14/13/94/202141394.db2.gz SLYMLUMRKMGYLN-SFHVURJKSA-N 1 3 317.477 2.327 20 0 DEADHO C[N@@H+](CCCNC(=O)[C@@H](N)Cc1ccccc1)C1CCCCC1 ZINC000237068919 202141399 /nfs/dbraw/zinc/14/13/99/202141399.db2.gz SLYMLUMRKMGYLN-SFHVURJKSA-N 1 3 317.477 2.327 20 0 DEADHO CN(C)[C@@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000237139033 202163391 /nfs/dbraw/zinc/16/33/91/202163391.db2.gz GFLPTTFCOQRSSL-ROUUACIJSA-N 1 3 311.429 2.496 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cccc(N2CCOCC2)c1 ZINC000578062634 356754627 /nfs/dbraw/zinc/75/46/27/356754627.db2.gz FIXQGYVUZIYAPH-WMZOPIPTSA-N 1 3 303.450 2.130 20 0 DEADHO COc1ccc(CNCCCC[N@@H+]2CCC[C@H]2CO)c(F)c1 ZINC000578633868 356848616 /nfs/dbraw/zinc/84/86/16/356848616.db2.gz BIZWGRJSFAUJFC-HNNXBMFYSA-N 1 3 310.413 2.161 20 0 DEADHO COc1ccc(CNCCCC[N@H+]2CCC[C@H]2CO)c(F)c1 ZINC000578633868 356848621 /nfs/dbraw/zinc/84/86/21/356848621.db2.gz BIZWGRJSFAUJFC-HNNXBMFYSA-N 1 3 310.413 2.161 20 0 DEADHO CNCC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000237221026 202193398 /nfs/dbraw/zinc/19/33/98/202193398.db2.gz AAHWIWAUTPZZJZ-UHFFFAOYSA-N 1 3 317.477 2.057 20 0 DEADHO COCCC[NH+]1CCC(NC[C@@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000581543779 357204176 /nfs/dbraw/zinc/20/41/76/357204176.db2.gz VBENZEAZWNWIKX-QFBILLFUSA-N 1 3 320.477 2.242 20 0 DEADHO CC(C)Oc1ccc(CCNC[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000581661849 357225422 /nfs/dbraw/zinc/22/54/22/357225422.db2.gz FKOILZZVGGNXRW-QGZVFWFLSA-N 1 3 306.450 2.061 20 0 DEADHO CC(C)Oc1ccc(CCNC[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000581661849 357225428 /nfs/dbraw/zinc/22/54/28/357225428.db2.gz FKOILZZVGGNXRW-QGZVFWFLSA-N 1 3 306.450 2.061 20 0 DEADHO O=C(Nc1ccc2c(c1F)CCNC2)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000261689371 295945171 /nfs/dbraw/zinc/94/51/71/295945171.db2.gz IEZQTUZFEWMHOU-PJODQICGSA-N 1 3 317.408 2.331 20 0 DEADHO C[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1)N1CCCC[C@H]1C ZINC000589208849 357455694 /nfs/dbraw/zinc/45/56/94/357455694.db2.gz HSPXRWOGZDHLTL-IKGGRYGDSA-N 1 3 322.497 2.129 20 0 DEADHO COC(=O)c1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)[nH]1 ZINC000592433831 357876265 /nfs/dbraw/zinc/87/62/65/357876265.db2.gz ZMSWZYSQCJMVRS-KBPBESRZSA-N 1 3 305.422 2.013 20 0 DEADHO CC(C)(C)N1CC[C@H]1CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000661396142 540317713 /nfs/dbraw/zinc/31/77/13/540317713.db2.gz BEOZVTKVPXXOKK-JKSUJKDBSA-N 1 3 322.497 2.129 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000661954406 540324320 /nfs/dbraw/zinc/32/43/20/540324320.db2.gz WMJYCNORALIOBY-IAGOWNOFSA-N 1 3 324.513 2.138 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000661954406 540324323 /nfs/dbraw/zinc/32/43/23/540324323.db2.gz WMJYCNORALIOBY-IAGOWNOFSA-N 1 3 324.513 2.138 20 0 DEADHO [NH3+]CCC[C@H](NC(=O)c1cccc2c1CNC2)c1ccccc1 ZINC000662572408 540332157 /nfs/dbraw/zinc/33/21/57/540332157.db2.gz XKHPRZMAZNIHBM-SFHVURJKSA-N 1 3 309.413 2.500 20 0 DEADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCc1cn(C)c2ccccc12 ZINC000665265287 540348882 /nfs/dbraw/zinc/34/88/82/540348882.db2.gz UKEUZZREHGHWNB-XKQJLSEDSA-N 1 3 301.434 2.063 20 0 DEADHO COC(=O)COc1ccc(CN2CCC[C@H](C)[C@H]2CC[NH3+])cc1 ZINC000593317220 358053373 /nfs/dbraw/zinc/05/33/73/358053373.db2.gz SJADISXSCZXCTJ-WMLDXEAASA-N 1 3 320.433 2.188 20 0 DEADHO CCOc1c(OC)cc(CN[C@H]2CC23CC[NH2+]CC3)cc1OC ZINC000666952242 540368983 /nfs/dbraw/zinc/36/89/83/540368983.db2.gz MHNQBNJECQZXAL-INIZCTEOSA-N 1 3 320.433 2.334 20 0 DEADHO COc1cc2c(cc1CN[C@H]1CC13CC[NH2+]CC3)O[C@H](C)C2 ZINC000666952032 540369089 /nfs/dbraw/zinc/36/90/89/540369089.db2.gz CLARDAMUPGIACE-PXAZEXFGSA-N 1 3 302.418 2.250 20 0 DEADHO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000276651222 213023096 /nfs/dbraw/zinc/02/30/96/213023096.db2.gz PXCAFALTXZVVRB-RYRKJORJSA-N 1 3 317.477 2.353 20 0 DEADHO C[S@](=O)[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000597185590 358847952 /nfs/dbraw/zinc/84/79/52/358847952.db2.gz YOUYHFBYNHCZOT-JIGPKXGUSA-N 1 3 321.490 2.330 20 0 DEADHO CN(CCCC[NH+](C)C)C(=O)Nc1cccc2c1CCNC2 ZINC000667746291 540519329 /nfs/dbraw/zinc/51/93/29/540519329.db2.gz BJBDWTVVVMTEKK-UHFFFAOYSA-N 1 3 304.438 2.138 20 0 DEADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1cccc2c1CCNC2 ZINC000667752349 540520288 /nfs/dbraw/zinc/52/02/88/540520288.db2.gz UFSYEZDFCYMBPD-HNNXBMFYSA-N 1 3 316.449 2.328 20 0 DEADHO O=C(Nc1ccc2c(c1)CNC2)N1CCN(c2cc[nH+]cc2)CC1 ZINC000667852546 540540206 /nfs/dbraw/zinc/54/02/06/540540206.db2.gz NLPNZQQPDMKWTL-UHFFFAOYSA-N 1 3 323.400 2.039 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CO[C@@H](C3CC3)C2)[C@@H](C)C1 ZINC000667862352 540541264 /nfs/dbraw/zinc/54/12/64/540541264.db2.gz SNQIFYDNWDZEJS-LEUOFYLZSA-N 1 3 310.482 2.281 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CO[C@@H](C3CC3)C2)[C@@H](C)C1 ZINC000667862352 540541266 /nfs/dbraw/zinc/54/12/66/540541266.db2.gz SNQIFYDNWDZEJS-LEUOFYLZSA-N 1 3 310.482 2.281 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C1CC2(CC2)C1 ZINC000667812707 540532442 /nfs/dbraw/zinc/53/24/42/540532442.db2.gz UNMMBSIARILNBK-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C1CC2(CC2)C1 ZINC000667812707 540532445 /nfs/dbraw/zinc/53/24/45/540532445.db2.gz UNMMBSIARILNBK-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@]1(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC[NH2+]C1 ZINC000237586160 202294042 /nfs/dbraw/zinc/29/40/42/202294042.db2.gz XBXOBUVJZWVDSB-PKOBYXMFSA-N 1 3 315.461 2.157 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+]2CCC[C@](O)(C3CC3)C2)cc1 ZINC000668555654 540687727 /nfs/dbraw/zinc/68/77/27/540687727.db2.gz BAFXPXPYKXGMNM-LJQANCHMSA-N 1 3 318.461 2.364 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+]2CCC[C@](O)(C3CC3)C2)cc1 ZINC000668555654 540687730 /nfs/dbraw/zinc/68/77/30/540687730.db2.gz BAFXPXPYKXGMNM-LJQANCHMSA-N 1 3 318.461 2.364 20 0 DEADHO O=C([C@@H]1CCCCN1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000237936306 296009215 /nfs/dbraw/zinc/00/92/15/296009215.db2.gz YICSMJJRJJVDIT-SJORKVTESA-N 1 3 307.482 2.243 20 0 DEADHO COC(=O)c1csc(CNCC2CC[NH+](C3CC3)CC2)c1 ZINC000602638454 360471425 /nfs/dbraw/zinc/47/14/25/360471425.db2.gz SPGVQGFGYSKEPI-UHFFFAOYSA-N 1 3 308.447 2.499 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000332524909 283571765 /nfs/dbraw/zinc/57/17/65/283571765.db2.gz BORLJHJICGWFCS-IAGOWNOFSA-N 1 3 322.497 2.164 20 0 DEADHO [NH3+]C/C=C\CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669483787 540841881 /nfs/dbraw/zinc/84/18/81/540841881.db2.gz MYQHNGKZPRNZTG-KEGWNNHHSA-N 1 3 316.449 2.028 20 0 DEADHO NC[C@H]1CCC[C@@H]1[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000521423863 283623873 /nfs/dbraw/zinc/62/38/73/283623873.db2.gz ZJSJKZGXVNGDLW-PBHICJAKSA-N 1 3 322.497 2.210 20 0 DEADHO COc1ccc([C@H](CNC(=O)CC[C@H](C)[NH3+])N2CCCC2)cc1 ZINC000193290708 201021961 /nfs/dbraw/zinc/02/19/61/201021961.db2.gz MMGGMDKFCSYGOQ-YOEHRIQHSA-N 1 3 319.449 2.076 20 0 DEADHO Cc1ccccc1CN1CCC(NC(=O)CC[C@H](C)[NH3+])CC1 ZINC000193295497 201022368 /nfs/dbraw/zinc/02/23/68/201022368.db2.gz WSYLILCAFWZMBP-HNNXBMFYSA-N 1 3 303.450 2.203 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@@H](CC)C[NH+]1CCCC1 ZINC000672942716 541076613 /nfs/dbraw/zinc/07/66/13/541076613.db2.gz NTHYPJOBJKBKAC-KRWDZBQOSA-N 1 3 324.513 2.378 20 0 DEADHO c1cc2n(n1)C[C@@H](C[NH2+]C1CCN(C3CCCCC3)CC1)CN2 ZINC000673811413 541146324 /nfs/dbraw/zinc/14/63/24/541146324.db2.gz AXWPZZAFIXMKKV-HNNXBMFYSA-N 1 3 317.481 2.312 20 0 DEADHO c1cc2n(n1)C[C@@H](CNC1CC[NH+](C3CCCCC3)CC1)CN2 ZINC000673811413 541146328 /nfs/dbraw/zinc/14/63/28/541146328.db2.gz AXWPZZAFIXMKKV-HNNXBMFYSA-N 1 3 317.481 2.312 20 0 DEADHO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000195113120 201341311 /nfs/dbraw/zinc/34/13/11/201341311.db2.gz UAVGXQCOAGWQMJ-BEFAXECRSA-N 1 3 318.461 2.158 20 0 DEADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000195131646 201344172 /nfs/dbraw/zinc/34/41/72/201344172.db2.gz FOJQVPVHXZMSIT-ZIAGYGMSSA-N 1 3 307.463 2.001 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000675193128 541300406 /nfs/dbraw/zinc/30/04/06/541300406.db2.gz DKMOPJSIQJNKIQ-ZACQAIPSSA-N 1 3 324.513 2.375 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000675193128 541300411 /nfs/dbraw/zinc/30/04/11/541300411.db2.gz DKMOPJSIQJNKIQ-ZACQAIPSSA-N 1 3 324.513 2.375 20 0 DEADHO C[C@H](C(=O)NCC1CC[NH+](CC2CC2)CC1)N1CCCCCC1 ZINC000620931707 364206824 /nfs/dbraw/zinc/20/68/24/364206824.db2.gz MIRRHMVSEJYHJC-MRXNPFEDSA-N 1 3 321.509 2.489 20 0 DEADHO O=C(CC[C@@H]1CCC[NH2+]C1)N1CCC[C@H]1CN1CCCCC1 ZINC000621642175 364486883 /nfs/dbraw/zinc/48/68/83/364486883.db2.gz GUZYSUJFNWVOTD-IRXDYDNUSA-N 1 3 307.482 2.243 20 0 DEADHO C[C@@H]([NH2+][C@H]1CCCN(C)C1)c1cccc(OCCN(C)C)c1 ZINC000675765654 541381072 /nfs/dbraw/zinc/38/10/72/541381072.db2.gz DHLSTAFDXZMGMB-WBVHZDCISA-N 1 3 305.466 2.372 20 0 DEADHO C[C@H]1C[C@@H](NCCNC(=O)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000675780149 541382633 /nfs/dbraw/zinc/38/26/33/541382633.db2.gz CCZSGVFITZROBY-WFASDCNBSA-N 1 3 309.841 2.142 20 0 DEADHO C[C@H]1C[C@@H](NCCNC(=O)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000675780149 541382635 /nfs/dbraw/zinc/38/26/35/541382635.db2.gz CCZSGVFITZROBY-WFASDCNBSA-N 1 3 309.841 2.142 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000449099518 240058637 /nfs/dbraw/zinc/05/86/37/240058637.db2.gz NXGKCPFQGDALQX-HLLBOEOZSA-N 1 3 303.450 2.326 20 0 DEADHO C(C1CC1)N1CCC([NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000675883152 541390443 /nfs/dbraw/zinc/39/04/43/541390443.db2.gz XAQKSIZVCXLOCK-LJQANCHMSA-N 1 3 321.509 2.094 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000449153413 240134011 /nfs/dbraw/zinc/13/40/11/240134011.db2.gz JQSHYBXTCARXOG-BFYDXBDKSA-N 1 3 303.450 2.154 20 0 DEADHO CN1CCCC[C@H](C[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)C1 ZINC000623655810 365118740 /nfs/dbraw/zinc/11/87/40/365118740.db2.gz GBDABOLWSWYGBK-MRXNPFEDSA-N 1 3 315.461 2.400 20 0 DEADHO C[N@@H+]1CCCC[C@H](CNC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000624316386 365377778 /nfs/dbraw/zinc/37/77/78/365377778.db2.gz OWBNVGMPCOCPLH-ZACQAIPSSA-N 1 3 322.497 2.034 20 0 DEADHO C[N@H+]1CCCC[C@H](CNC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000624316386 365377782 /nfs/dbraw/zinc/37/77/82/365377782.db2.gz OWBNVGMPCOCPLH-ZACQAIPSSA-N 1 3 322.497 2.034 20 0 DEADHO CC[C@H](C[NH2+]C[C@H](O)CN1CCCC1)Oc1cccc(F)c1 ZINC000629562622 367252853 /nfs/dbraw/zinc/25/28/53/367252853.db2.gz DSLPTSCPRAFNSG-JKSUJKDBSA-N 1 3 310.413 2.029 20 0 DEADHO CC[C@@H](C[NH2+]C[C@H](O)CN1CCCC1)Oc1cccc(F)c1 ZINC000629562618 367253706 /nfs/dbraw/zinc/25/37/06/367253706.db2.gz DSLPTSCPRAFNSG-HOTGVXAUSA-N 1 3 310.413 2.029 20 0 DEADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000629980290 367416010 /nfs/dbraw/zinc/41/60/10/367416010.db2.gz XHEHKDCOOCCLNR-GJZGRUSLSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000629980290 367416022 /nfs/dbraw/zinc/41/60/22/367416022.db2.gz XHEHKDCOOCCLNR-GJZGRUSLSA-N 1 3 307.482 2.240 20 0 DEADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCCCN1 ZINC000164727528 284006687 /nfs/dbraw/zinc/00/66/87/284006687.db2.gz FCNBHZYOQWGBPR-QGZVFWFLSA-N 1 3 301.434 2.041 20 0 DEADHO [NH3+]Cc1cn([C@@H]2CCN([C@@H]3CCc4c3cccc4Cl)C2)nn1 ZINC000631844881 368420876 /nfs/dbraw/zinc/42/08/76/368420876.db2.gz OIQPAFZXMIPXTK-MLGOLLRUSA-N 1 3 317.824 2.325 20 0 DEADHO Cc1cc(C[N@@H+]2CC[C@@H](n3cc(CN)nn3)C2)c2ccccc2n1 ZINC000631846056 368422598 /nfs/dbraw/zinc/42/25/98/368422598.db2.gz ROZRJPRGMCMWIC-MRXNPFEDSA-N 1 3 322.416 2.040 20 0 DEADHO Cc1cc(C[N@H+]2CC[C@@H](n3cc(CN)nn3)C2)c2ccccc2n1 ZINC000631846056 368422600 /nfs/dbraw/zinc/42/26/00/368422600.db2.gz ROZRJPRGMCMWIC-MRXNPFEDSA-N 1 3 322.416 2.040 20 0 DEADHO C[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)N1CCCCCC1 ZINC000261729859 203102837 /nfs/dbraw/zinc/10/28/37/203102837.db2.gz LTJFEZVWWGLYOH-BPQIPLTHSA-N 1 3 315.461 2.204 20 0 DEADHO N[C@H](CC(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1ccccc1 ZINC000261874775 203140836 /nfs/dbraw/zinc/14/08/36/203140836.db2.gz XWNJPJNCTCXODX-CEXWTWQISA-N 1 3 323.440 2.277 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H](N)c1ccccc1 ZINC000262049317 203184231 /nfs/dbraw/zinc/18/42/31/203184231.db2.gz CTGXUHGTZIAGIK-ORQFMDKSSA-N 1 3 301.434 2.066 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H](N)c1ccccc1 ZINC000262049317 203184234 /nfs/dbraw/zinc/18/42/34/203184234.db2.gz CTGXUHGTZIAGIK-ORQFMDKSSA-N 1 3 301.434 2.066 20 0 DEADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000262681533 203379600 /nfs/dbraw/zinc/37/96/00/203379600.db2.gz XPJGDDVICYOHOC-NJAFHUGGSA-N 1 3 315.461 2.107 20 0 DEADHO CCN(CC)CC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000265045079 204364523 /nfs/dbraw/zinc/36/45/23/204364523.db2.gz ZHHCYJDPADHTAM-UHFFFAOYSA-N 1 3 317.477 2.451 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1CCN1C1CCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000530024322 284319487 /nfs/dbraw/zinc/31/94/87/284319487.db2.gz LHJFDCSWLUTTDO-QSJFSLAZSA-N 1 3 307.482 2.381 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1CCN1C1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000530024322 284319489 /nfs/dbraw/zinc/31/94/89/284319489.db2.gz LHJFDCSWLUTTDO-QSJFSLAZSA-N 1 3 307.482 2.381 20 0 DEADHO C[NH2+]CCC1CCN([C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000530223489 284377925 /nfs/dbraw/zinc/37/79/25/284377925.db2.gz SPIRYVBYVOZFAB-KRWDZBQOSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)N1CCC([NH2+][C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000679841140 541916272 /nfs/dbraw/zinc/91/62/72/541916272.db2.gz RFZVQCKKSPFESJ-QGZVFWFLSA-N 1 3 307.482 2.382 20 0 DEADHO O=c1[nH]c2ccc(C[NH2+]C3CCN(CC4CC4)CC3)cc2[nH]1 ZINC000680334420 541987295 /nfs/dbraw/zinc/98/72/95/541987295.db2.gz OEMZGTUZGSETJZ-UHFFFAOYSA-N 1 3 300.406 2.233 20 0 DEADHO CN(Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC(O)C1 ZINC000680650724 542035954 /nfs/dbraw/zinc/03/59/54/542035954.db2.gz OQKLPVKJBCFIJG-UHFFFAOYSA-N 1 3 304.434 2.116 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)NCCN2CCCCC2)CC1 ZINC000158603935 291643736 /nfs/dbraw/zinc/64/37/36/291643736.db2.gz AZEDSWWYKJKZKY-UHFFFAOYSA-N 1 3 310.486 2.036 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)NCCN2CCC(C)CC2)CC1 ZINC000158657254 291644272 /nfs/dbraw/zinc/64/42/72/291644272.db2.gz RCWZNPZHOFWPAJ-UHFFFAOYSA-N 1 3 324.513 2.282 20 0 DEADHO CC(C)N1CC[C@@H](N(C)C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000457905418 248066064 /nfs/dbraw/zinc/06/60/64/248066064.db2.gz UELSNPQILVNHLJ-MRXNPFEDSA-N 1 3 324.513 2.373 20 0 DEADHO CN(C)[C@@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000105075208 194069115 /nfs/dbraw/zinc/06/91/15/194069115.db2.gz UWTFXDSVZYVGKZ-SJORKVTESA-N 1 3 318.465 2.025 20 0 DEADHO C[C@H](CNC(=O)N1CCN(CCC(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC000105262856 194089437 /nfs/dbraw/zinc/08/94/37/194089437.db2.gz FDSOAUXFEDOCRI-OAHLLOKOSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H](CNC(=O)N1CCN(CCC(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC000105262856 194089438 /nfs/dbraw/zinc/08/94/38/194089438.db2.gz FDSOAUXFEDOCRI-OAHLLOKOSA-N 1 3 324.513 2.233 20 0 DEADHO COCCOc1ccc([C@@H](C)NCCC[N@H+](C)CCOC)cc1 ZINC000268859427 207025816 /nfs/dbraw/zinc/02/58/16/207025816.db2.gz YODLTKRAOCRZQV-MRXNPFEDSA-N 1 3 324.465 2.331 20 0 DEADHO COCCOc1ccc([C@@H](C)NCCC[N@@H+](C)CCOC)cc1 ZINC000268859427 207025819 /nfs/dbraw/zinc/02/58/19/207025819.db2.gz YODLTKRAOCRZQV-MRXNPFEDSA-N 1 3 324.465 2.331 20 0 DEADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc(OC(F)F)c1 ZINC000269061621 207210899 /nfs/dbraw/zinc/21/08/99/207210899.db2.gz UIODSSPONOVKHP-GFCCVEGCSA-N 1 3 314.376 2.395 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](CN)c1ccccc1 ZINC000269246649 207382522 /nfs/dbraw/zinc/38/25/22/207382522.db2.gz VAVXFJJOVPUEHP-NVXWUHKLSA-N 1 3 303.450 2.110 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](CN)c1ccccc1 ZINC000269246649 207382529 /nfs/dbraw/zinc/38/25/29/207382529.db2.gz VAVXFJJOVPUEHP-NVXWUHKLSA-N 1 3 303.450 2.110 20 0 DEADHO C[C@H](Cc1ccsc1)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000556889000 291850335 /nfs/dbraw/zinc/85/03/35/291850335.db2.gz OKBZDHQXFGWKHS-OAHLLOKOSA-N 1 3 323.506 2.261 20 0 DEADHO COc1ccc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1O ZINC000556963697 291853183 /nfs/dbraw/zinc/85/31/83/291853183.db2.gz YGEXKGSKKUQKDQ-CRAIPNDOSA-N 1 3 320.433 2.119 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000158658542 197291417 /nfs/dbraw/zinc/29/14/17/197291417.db2.gz ZZLDGUYKQNTSJE-INIZCTEOSA-N 1 3 324.513 2.425 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CC=CCC1 ZINC000346616295 285246712 /nfs/dbraw/zinc/24/67/12/285246712.db2.gz FGFVLIXHVBJEAD-IAGOWNOFSA-N 1 3 307.482 2.217 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CC=CCC1 ZINC000346616295 285246714 /nfs/dbraw/zinc/24/67/14/285246714.db2.gz FGFVLIXHVBJEAD-IAGOWNOFSA-N 1 3 307.482 2.217 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CC12CCCC2 ZINC000354213111 285247738 /nfs/dbraw/zinc/24/77/38/285247738.db2.gz VHCJQEIWBKFYTE-IAGOWNOFSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CC12CCCC2 ZINC000354213111 285247739 /nfs/dbraw/zinc/24/77/39/285247739.db2.gz VHCJQEIWBKFYTE-IAGOWNOFSA-N 1 3 321.509 2.441 20 0 DEADHO OC[C@]1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@H]1c1ccccc1 ZINC000289677807 221148095 /nfs/dbraw/zinc/14/80/95/221148095.db2.gz HOBKNDKIPXWCOR-YDZRNGNQSA-N 1 3 300.446 2.369 20 0 DEADHO OC[C@]1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@H]1c1ccccc1 ZINC000289677807 221148098 /nfs/dbraw/zinc/14/80/98/221148098.db2.gz HOBKNDKIPXWCOR-YDZRNGNQSA-N 1 3 300.446 2.369 20 0 DEADHO C[C@H]([NH2+]Cc1cccc(CN(C)C)c1)C(C)(C)n1cncn1 ZINC000289929833 221323536 /nfs/dbraw/zinc/32/35/36/221323536.db2.gz VOSCTEUGQJCINX-AWEZNQCLSA-N 1 3 301.438 2.253 20 0 DEADHO CC[NH+]1CCC(NC[C@@H](Cc2ccccc2Cl)C(N)=O)CC1 ZINC000360199864 535473772 /nfs/dbraw/zinc/47/37/72/535473772.db2.gz SNPWSZFLOXSTLU-CQSZACIVSA-N 1 3 323.868 2.058 20 0 DEADHO C[C@@H](CC(=O)Nc1ccc2c(c1)CNCC2)[C@H]1CCC[NH2+]C1 ZINC000429337043 533446910 /nfs/dbraw/zinc/44/69/10/533446910.db2.gz SFMQIDUKUBQMNP-ZFWWWQNUSA-N 1 3 301.434 2.297 20 0 DEADHO COc1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3CN)CCOCC2)cc1 ZINC000422905464 533426336 /nfs/dbraw/zinc/42/63/36/533426336.db2.gz ZCFWSPNFXBIOJJ-CRAIPNDOSA-N 1 3 318.461 2.460 20 0 DEADHO COc1cccc(NC(=O)CCN2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000422625197 533598931 /nfs/dbraw/zinc/59/89/31/533598931.db2.gz AXKGGWGXTYMNCJ-ILXRZTDVSA-N 1 3 319.449 2.329 20 0 DEADHO COc1cccc(NC(=O)CC[N@@H+]2C[C@H](CN)[C@H](C)C[C@@H]2C)c1 ZINC000422625197 533598936 /nfs/dbraw/zinc/59/89/36/533598936.db2.gz AXKGGWGXTYMNCJ-ILXRZTDVSA-N 1 3 319.449 2.329 20 0 DEADHO COc1cccc(NC(=O)CC[N@H+]2C[C@H](CN)[C@H](C)C[C@@H]2C)c1 ZINC000422625197 533598940 /nfs/dbraw/zinc/59/89/40/533598940.db2.gz AXKGGWGXTYMNCJ-ILXRZTDVSA-N 1 3 319.449 2.329 20 0 DEADHO CSCC[C@H](N[C@@H](C)CCC[NH3+])c1nnc2ccccn21 ZINC000422798999 533654972 /nfs/dbraw/zinc/65/49/72/533654972.db2.gz UPGUVPMMWJRVGB-STQMWFEESA-N 1 3 307.467 2.241 20 0 DEADHO CO[C@H]1CCC[C@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)C1 ZINC000684382878 542597633 /nfs/dbraw/zinc/59/76/33/542597633.db2.gz RUWLOKNANSIXLF-ROUUACIJSA-N 1 3 323.525 2.484 20 0 DEADHO C[N@@H+]1CC[C@@H](NCCN2CCSCC2)C[C@@H]1c1ccccc1 ZINC000340235274 131243323 /nfs/dbraw/zinc/24/33/23/131243323.db2.gz JCDFLYMOFXXELJ-QZTJIDSGSA-N 1 3 319.518 2.460 20 0 DEADHO C[N@H+]1CC[C@@H](NCCN2CCSCC2)C[C@@H]1c1ccccc1 ZINC000340235274 131243325 /nfs/dbraw/zinc/24/33/25/131243325.db2.gz JCDFLYMOFXXELJ-QZTJIDSGSA-N 1 3 319.518 2.460 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C[C@H](N)c2ccccc2)C1 ZINC000119582093 132134635 /nfs/dbraw/zinc/13/46/35/132134635.db2.gz BOWRMGLQEBJADC-WBVHZDCISA-N 1 3 303.450 2.313 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C[C@H](N)c2ccccc2)C1 ZINC000119582093 132134639 /nfs/dbraw/zinc/13/46/39/132134639.db2.gz BOWRMGLQEBJADC-WBVHZDCISA-N 1 3 303.450 2.313 20 0 DEADHO Cc1nc(C)c(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)s1 ZINC000562751837 292008704 /nfs/dbraw/zinc/00/87/04/292008704.db2.gz HSMTYMBZPYJLEF-HUUCEWRRSA-N 1 3 309.479 2.478 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000562816183 292012823 /nfs/dbraw/zinc/01/28/23/292012823.db2.gz KVWOXPBUQOWATB-HNNXBMFYSA-N 1 3 324.513 2.280 20 0 DEADHO C[NH+](C)CCC1CCN(CC[S@](=O)c2ccccc2)CC1 ZINC000355745729 133045259 /nfs/dbraw/zinc/04/52/59/133045259.db2.gz FEEZRMGLTHHNSB-NRFANRHFSA-N 1 3 308.491 2.458 20 0 DEADHO CN(C)[C@H]1CCCN(C(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000356115169 133066927 /nfs/dbraw/zinc/06/69/27/133066927.db2.gz HWUMEOGCOOJKCI-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC000357818667 133102291 /nfs/dbraw/zinc/10/22/91/133102291.db2.gz TUJLUKHFJSXBCU-OAHLLOKOSA-N 1 3 322.497 2.056 20 0 DEADHO C[C@H](NC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C)C1=CCN(C)CC1 ZINC000357853332 133104998 /nfs/dbraw/zinc/10/49/98/133104998.db2.gz PJNISXJJSZWHDZ-PMPSAXMXSA-N 1 3 322.497 2.199 20 0 DEADHO C[C@H](NC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C)C1=CCN(C)CC1 ZINC000357853332 133104999 /nfs/dbraw/zinc/10/49/99/133104999.db2.gz PJNISXJJSZWHDZ-PMPSAXMXSA-N 1 3 322.497 2.199 20 0 DEADHO c1ccc(CN2CCC(N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)nc1 ZINC000359945591 133154159 /nfs/dbraw/zinc/15/41/59/133154159.db2.gz XVPMZMQESNKLDP-RTBURBONSA-N 1 3 314.477 2.262 20 0 DEADHO c1ccc(CN2CCC(N[C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)nc1 ZINC000359945591 133154160 /nfs/dbraw/zinc/15/41/60/133154160.db2.gz XVPMZMQESNKLDP-RTBURBONSA-N 1 3 314.477 2.262 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000360005943 133156897 /nfs/dbraw/zinc/15/68/97/133156897.db2.gz IAFYYRYSIKJJLA-SJORKVTESA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000360005943 133156898 /nfs/dbraw/zinc/15/68/98/133156898.db2.gz IAFYYRYSIKJJLA-SJORKVTESA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@]1(C(=O)NCCCN(C)Cc2ccccc2)CC[NH2+]C1 ZINC000368510011 133276442 /nfs/dbraw/zinc/27/64/42/133276442.db2.gz GESVWMNJMDWOJM-SFHVURJKSA-N 1 3 303.450 2.014 20 0 DEADHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000377922570 133350951 /nfs/dbraw/zinc/35/09/51/133350951.db2.gz QWGOTMPCPNQETR-CKEIUWERSA-N 1 3 313.461 2.044 20 0 DEADHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000377922570 133350952 /nfs/dbraw/zinc/35/09/52/133350952.db2.gz QWGOTMPCPNQETR-CKEIUWERSA-N 1 3 313.461 2.044 20 0 DEADHO CC[NH2+]CCCNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000563580412 292063446 /nfs/dbraw/zinc/06/34/46/292063446.db2.gz BBIWTZCFVPCCLG-RDJZCZTQSA-N 1 3 318.465 2.121 20 0 DEADHO CN(C)[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)c1ccc(Cl)cc1 ZINC000564570650 292099983 /nfs/dbraw/zinc/09/99/83/292099983.db2.gz AFONKUMRSCGSDP-UONOGXRCSA-N 1 3 311.857 2.432 20 0 DEADHO CC[NH+](CC)CCCN1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000246225500 145095344 /nfs/dbraw/zinc/09/53/44/145095344.db2.gz RRMAQRUJJFORMW-KZNAEPCWSA-N 1 3 311.514 2.292 20 0 DEADHO C[C@H](NC(=O)[C@H]1CCCCN1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261539444 145206439 /nfs/dbraw/zinc/20/64/39/145206439.db2.gz CLIIZWPYSMFRFX-RYQLBKOJSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H](NC(=O)[C@H]1CCCCN1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261539444 145206441 /nfs/dbraw/zinc/20/64/41/145206441.db2.gz CLIIZWPYSMFRFX-RYQLBKOJSA-N 1 3 315.461 2.155 20 0 DEADHO CCN(CC)Cc1cccc(NC(=O)[C@]2(COC)CC[NH2+]C2)c1 ZINC000261889990 145237948 /nfs/dbraw/zinc/23/79/48/145237948.db2.gz NPBPTSXFTJXKGC-GOSISDBHSA-N 1 3 319.449 2.093 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000261896190 145238444 /nfs/dbraw/zinc/23/84/44/145238444.db2.gz UMFJXNWUISFUCP-SOLBZPMBSA-N 1 3 315.461 2.328 20 0 DEADHO Cc1ccc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261901230 145239101 /nfs/dbraw/zinc/23/91/01/145239101.db2.gz OWVAZAHMLOUOEF-ROUUACIJSA-N 1 3 315.461 2.075 20 0 DEADHO Cc1ccc2cc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)ccc2n1 ZINC000261942538 145245034 /nfs/dbraw/zinc/24/50/34/145245034.db2.gz UZWCSWTVANAEEC-GOSISDBHSA-N 1 3 310.445 2.023 20 0 DEADHO CCN(Cc1ccc(C(=O)N[C@H]2CCC[NH2+]C2)cc1)C1CC1 ZINC000262030614 145255256 /nfs/dbraw/zinc/25/52/56/145255256.db2.gz OTBHVAJKMHCPCY-INIZCTEOSA-N 1 3 301.434 2.153 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H](N)c1ccccc1 ZINC000262351859 145278356 /nfs/dbraw/zinc/27/83/56/145278356.db2.gz VGRPETLIKJCMML-SVGFKBNWSA-N 1 3 301.434 2.066 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H](N)c1ccccc1 ZINC000262351859 145278357 /nfs/dbraw/zinc/27/83/57/145278357.db2.gz VGRPETLIKJCMML-SVGFKBNWSA-N 1 3 301.434 2.066 20 0 DEADHO CC(C)(C)c1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262468339 145285646 /nfs/dbraw/zinc/28/56/46/145285646.db2.gz JAZZLPQRTYSOFB-GOSISDBHSA-N 1 3 301.478 2.464 20 0 DEADHO CCN1CCN(c2ccc(NC(=O)[C@H](C)[C@H](C)[NH3+])c(C)c2)CC1 ZINC000322836186 145379555 /nfs/dbraw/zinc/37/95/55/145379555.db2.gz KDCICEMEHQOWSH-CABCVRRESA-N 1 3 318.465 2.059 20 0 DEADHO COC1([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)CCCCC1 ZINC000421849043 292146096 /nfs/dbraw/zinc/14/60/96/292146096.db2.gz BGAWBNWDPYUBAD-INIZCTEOSA-N 1 3 311.514 2.340 20 0 DEADHO Cc1ccc(NC(=O)[C@@H]2CCCN(C[C@H]3CCC[NH2+]C3)C2)nc1 ZINC000346848914 146152971 /nfs/dbraw/zinc/15/29/71/146152971.db2.gz FONQWCPXFBFJOK-JKSUJKDBSA-N 1 3 316.449 2.040 20 0 DEADHO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](C[C@H]3CCCNC3)C2)nc1 ZINC000346848914 146152974 /nfs/dbraw/zinc/15/29/74/146152974.db2.gz FONQWCPXFBFJOK-JKSUJKDBSA-N 1 3 316.449 2.040 20 0 DEADHO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](C[C@H]3CCCNC3)C2)nc1 ZINC000346848914 146152976 /nfs/dbraw/zinc/15/29/76/146152976.db2.gz FONQWCPXFBFJOK-JKSUJKDBSA-N 1 3 316.449 2.040 20 0 DEADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CC1CCN(C)CC1 ZINC000347023341 146181828 /nfs/dbraw/zinc/18/18/28/146181828.db2.gz KCJOMKUOKGZHKE-OAGGEKHMSA-N 1 3 309.498 2.201 20 0 DEADHO CC1CC[NH+](C[C@H](O)CNC[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000348262350 146243747 /nfs/dbraw/zinc/24/37/47/146243747.db2.gz QVTYWEWDOKYGHO-OTWHNJEPSA-N 1 3 302.462 2.473 20 0 DEADHO [NH3+]CCOCCN(Cc1cccc(Br)c1)C1CC1 ZINC000357024488 147026114 /nfs/dbraw/zinc/02/61/14/147026114.db2.gz DZCFUMFDPJGNQA-UHFFFAOYSA-N 1 3 313.239 2.389 20 0 DEADHO CC[N@H+](CCC1CCN([C@H]2CCCCNC2=O)CC1)CC1CC1 ZINC000357085800 147038581 /nfs/dbraw/zinc/03/85/81/147038581.db2.gz OICUESLOJIVEQK-SFHVURJKSA-N 1 3 321.509 2.489 20 0 DEADHO CC[N@@H+](CCC1CCN([C@H]2CCCCNC2=O)CC1)CC1CC1 ZINC000357085800 147038585 /nfs/dbraw/zinc/03/85/85/147038585.db2.gz OICUESLOJIVEQK-SFHVURJKSA-N 1 3 321.509 2.489 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](NCCc2ncc(C)cn2)[C@H](C)C1 ZINC000358360053 147119952 /nfs/dbraw/zinc/11/99/52/147119952.db2.gz VDPPCGQKRHPRPB-SJORKVTESA-N 1 3 320.481 2.054 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](NCCc2ncc(C)cn2)[C@H](C)C1 ZINC000358360053 147119954 /nfs/dbraw/zinc/11/99/54/147119954.db2.gz VDPPCGQKRHPRPB-SJORKVTESA-N 1 3 320.481 2.054 20 0 DEADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000358865650 147221661 /nfs/dbraw/zinc/22/16/61/147221661.db2.gz NMAVBRYMUGMSEZ-CKEIUWERSA-N 1 3 321.440 2.247 20 0 DEADHO C[C@@H](CNC(=O)[C@H](CN)c1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000358869589 147222576 /nfs/dbraw/zinc/22/25/76/147222576.db2.gz YDRURLUTWQXCBI-WMLDXEAASA-N 1 3 321.440 2.106 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000359224419 147284970 /nfs/dbraw/zinc/28/49/70/147284970.db2.gz IGQRRIZQZSOMCF-DOTOQJQBSA-N 1 3 322.497 2.177 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000359224419 147284972 /nfs/dbraw/zinc/28/49/72/147284972.db2.gz IGQRRIZQZSOMCF-DOTOQJQBSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)[C@H]1CCCOC1 ZINC000359220936 147285383 /nfs/dbraw/zinc/28/53/83/147285383.db2.gz CCMUBYIEHVCRPH-SNRMKQJTSA-N 1 3 318.461 2.158 20 0 DEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000359345506 147311435 /nfs/dbraw/zinc/31/14/35/147311435.db2.gz BHIHYLHXFFQVEB-CABCVRRESA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000359345506 147311436 /nfs/dbraw/zinc/31/14/36/147311436.db2.gz BHIHYLHXFFQVEB-CABCVRRESA-N 1 3 322.497 2.033 20 0 DEADHO Cc1c[nH+]ccc1NCCCN1CCN(c2ccccc2)CC1 ZINC000359456012 147330694 /nfs/dbraw/zinc/33/06/94/147330694.db2.gz KUORQLUSMKXNPN-UHFFFAOYSA-N 1 3 310.445 2.436 20 0 DEADHO O=C(NCCC[NH+]1CCCC1)N1CCN(C2CCCCC2)CC1 ZINC000359485978 147335666 /nfs/dbraw/zinc/33/56/66/147335666.db2.gz SWZRYHODBTYTAA-UHFFFAOYSA-N 1 3 322.497 2.132 20 0 DEADHO CN(C)Cc1cccc(CNC(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000565485780 292165358 /nfs/dbraw/zinc/16/53/58/292165358.db2.gz GTGZOOHJEUIBDB-UHFFFAOYSA-N 1 3 318.465 2.019 20 0 DEADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H](CO)C3CCOCC3)CC2)C1 ZINC000360824926 147390791 /nfs/dbraw/zinc/39/07/91/147390791.db2.gz KRDYGLOOCNUMET-AYOQOUSVSA-N 1 3 324.509 2.407 20 0 DEADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H](CO)C3CCOCC3)CC2)C1 ZINC000360824926 147390793 /nfs/dbraw/zinc/39/07/93/147390793.db2.gz KRDYGLOOCNUMET-AYOQOUSVSA-N 1 3 324.509 2.407 20 0 DEADHO C[C@H](C(=O)Nc1cc(Cl)ccc1F)N1CCC[C@@H](C[NH3+])C1 ZINC000565716895 292177430 /nfs/dbraw/zinc/17/74/30/292177430.db2.gz HZGBTJANJYZWPA-MNOVXSKESA-N 1 3 313.804 2.477 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)N[C@H](C[NH3+])CC(C)C)N(C)C)cc1 ZINC000417310206 292200041 /nfs/dbraw/zinc/20/00/41/292200041.db2.gz JSGDRJQZRIYSQI-DLBZAZTESA-N 1 3 320.481 2.270 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C[C@@H](N)Cc2ccccc2)C1 ZINC000566065953 292201351 /nfs/dbraw/zinc/20/13/51/292201351.db2.gz TYYZENRRIUQJIM-MSOLQXFVSA-N 1 3 317.477 2.183 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C[C@@H](N)Cc2ccccc2)C1 ZINC000566065953 292201352 /nfs/dbraw/zinc/20/13/52/292201352.db2.gz TYYZENRRIUQJIM-MSOLQXFVSA-N 1 3 317.477 2.183 20 0 DEADHO Fc1ccc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c(F)c1 ZINC000566089715 292203861 /nfs/dbraw/zinc/20/38/61/292203861.db2.gz PXDLPQDEGMDAGG-BHYGNILZSA-N 1 3 310.388 2.254 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC000074253802 401734107 /nfs/dbraw/zinc/73/41/07/401734107.db2.gz HKWUDVUFWIGATN-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CCCCN(C)CCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000112430981 401744927 /nfs/dbraw/zinc/74/49/27/401744927.db2.gz YKRPSZZJCFHUSZ-UHFFFAOYSA-N 1 3 312.502 2.327 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000129591289 401806426 /nfs/dbraw/zinc/80/64/26/401806426.db2.gz ACHHLDAVLSEVLZ-IRXDYDNUSA-N 1 3 324.513 2.138 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000129591289 401806429 /nfs/dbraw/zinc/80/64/29/401806429.db2.gz ACHHLDAVLSEVLZ-IRXDYDNUSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076115045 401783554 /nfs/dbraw/zinc/78/35/54/401783554.db2.gz IOWYCPIDKRPTNB-MRXNPFEDSA-N 1 3 315.461 2.383 20 0 DEADHO CC(C)[NH+](CCNC(=O)N(C)C[C@H]1CCCN(C)C1)C(C)C ZINC000115782773 401836825 /nfs/dbraw/zinc/83/68/25/401836825.db2.gz AXLLJDFBVCOBOU-INIZCTEOSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@H]1C[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)CN1C1CC1 ZINC000130682325 401837298 /nfs/dbraw/zinc/83/72/98/401837298.db2.gz HSGJYYXCNSNZPB-HOCLYGCPSA-N 1 3 322.497 2.223 20 0 DEADHO C[C@H](CNC(=O)N[C@@H](C)CN1CCCCC1)C[NH+]1CCCCC1 ZINC000079689621 401879566 /nfs/dbraw/zinc/87/95/66/401879566.db2.gz TXUHFUUFZQUKKY-SJORKVTESA-N 1 3 324.513 2.282 20 0 DEADHO O=C(NCCN1CCCCC1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000080626321 401891087 /nfs/dbraw/zinc/89/10/87/401891087.db2.gz ZJYJBCHXYGEREN-QGZVFWFLSA-N 1 3 322.497 2.036 20 0 DEADHO O=C(NCCN1CCCCC1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000080626321 401891089 /nfs/dbraw/zinc/89/10/89/401891089.db2.gz ZJYJBCHXYGEREN-QGZVFWFLSA-N 1 3 322.497 2.036 20 0 DEADHO CN(CCCOc1ccc2c(c1)OCO2)C[C@H]1CCC[N@H+](C)C1 ZINC000118842210 401911880 /nfs/dbraw/zinc/91/18/80/401911880.db2.gz BYOJLUUMJHOLPR-HNNXBMFYSA-N 1 3 320.433 2.458 20 0 DEADHO CN(CCCOc1ccc2c(c1)OCO2)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842210 401911882 /nfs/dbraw/zinc/91/18/82/401911882.db2.gz BYOJLUUMJHOLPR-HNNXBMFYSA-N 1 3 320.433 2.458 20 0 DEADHO CC(C)[NH+](CCNC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C)C(C)C ZINC000085386852 401915031 /nfs/dbraw/zinc/91/50/31/401915031.db2.gz IKADLZVRNHCCEY-HOTGVXAUSA-N 1 3 312.502 2.087 20 0 DEADHO COCC[N@H+](C)CCCC1CCN(Cc2cn(C)nc2C)CC1 ZINC000093769390 402020219 /nfs/dbraw/zinc/02/02/19/402020219.db2.gz PRRZJXOACRXDQI-UHFFFAOYSA-N 1 3 322.497 2.299 20 0 DEADHO COCC[N@@H+](C)CCCC1CCN(Cc2cn(C)nc2C)CC1 ZINC000093769390 402020220 /nfs/dbraw/zinc/02/02/20/402020220.db2.gz PRRZJXOACRXDQI-UHFFFAOYSA-N 1 3 322.497 2.299 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000121272749 402024928 /nfs/dbraw/zinc/02/49/28/402024928.db2.gz HFNPQJNUADDOFK-XHSDSOJGSA-N 1 3 324.513 2.231 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC2CCN(C)CC2)C1 ZINC000097216318 402118042 /nfs/dbraw/zinc/11/80/42/402118042.db2.gz FQFYMVVPXPZOQD-HUUCEWRRSA-N 1 3 324.513 2.136 20 0 DEADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(C(=O)C3CCCCC3)C2)[C@H](C)C1 ZINC000123806158 402147886 /nfs/dbraw/zinc/14/78/86/402147886.db2.gz HPBJTGKSLXZIGV-NXHRZFHOSA-N 1 3 321.509 2.488 20 0 DEADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(C(=O)C3CCCCC3)C2)[C@H](C)C1 ZINC000123806158 402147890 /nfs/dbraw/zinc/14/78/90/402147890.db2.gz HPBJTGKSLXZIGV-NXHRZFHOSA-N 1 3 321.509 2.488 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN(C)CCC2CCCCC2)CC1 ZINC000101565935 402149084 /nfs/dbraw/zinc/14/90/84/402149084.db2.gz TZVLTGORZLUTHZ-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CCN(C)CCNC(=O)NCc1ccccc1C[NH+](CC)CC ZINC000066988510 402149168 /nfs/dbraw/zinc/14/91/68/402149168.db2.gz LIBUDYPIRYBWLT-UHFFFAOYSA-N 1 3 320.481 2.279 20 0 DEADHO CC(C)[C@H](C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1)N(C)C ZINC000124435317 402180089 /nfs/dbraw/zinc/18/00/89/402180089.db2.gz BDXIHZHVVGQMSZ-YESZJQIVSA-N 1 3 311.514 2.447 20 0 DEADHO C[N@@H+]1CCC[C@H]1CCN1CCN(CCc2ccccc2)CC1 ZINC000124781579 402196559 /nfs/dbraw/zinc/19/65/59/402196559.db2.gz OEFXVXQQJIIDMH-IBGZPJMESA-N 1 3 301.478 2.331 20 0 DEADHO C[N@H+]1CCC[C@H]1CCN1CCN(CCc2ccccc2)CC1 ZINC000124781579 402196561 /nfs/dbraw/zinc/19/65/61/402196561.db2.gz OEFXVXQQJIIDMH-IBGZPJMESA-N 1 3 301.478 2.331 20 0 DEADHO CC[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000125378738 402228556 /nfs/dbraw/zinc/22/85/56/402228556.db2.gz CQLSGUJUIATYID-ROUUACIJSA-N 1 3 317.477 2.307 20 0 DEADHO CC[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000125378738 402228558 /nfs/dbraw/zinc/22/85/58/402228558.db2.gz CQLSGUJUIATYID-ROUUACIJSA-N 1 3 317.477 2.307 20 0 DEADHO CC[C@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000125379202 402228823 /nfs/dbraw/zinc/22/88/23/402228823.db2.gz CQLSGUJUIATYID-QZTJIDSGSA-N 1 3 317.477 2.307 20 0 DEADHO CC[C@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000125379202 402228825 /nfs/dbraw/zinc/22/88/25/402228825.db2.gz CQLSGUJUIATYID-QZTJIDSGSA-N 1 3 317.477 2.307 20 0 DEADHO Cc1nccn1CCCCN1CCN(Cc2ccccn2)CC1 ZINC000125443108 402232716 /nfs/dbraw/zinc/23/27/16/402232716.db2.gz VMPCFKLLWWDDCF-UHFFFAOYSA-N 1 3 313.449 2.185 20 0 DEADHO CCN1CC[C@@H]([NH2+]Cc2ccc(CS(C)(=O)=O)cc2)[C@H](C)C1 ZINC000125716229 402246607 /nfs/dbraw/zinc/24/66/07/402246607.db2.gz BFQZRPRTWPJNMN-RHSMWYFYSA-N 1 3 324.490 2.051 20 0 DEADHO C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000108333802 402250618 /nfs/dbraw/zinc/25/06/18/402250618.db2.gz YJDPOVUZIDXEII-QGZVFWFLSA-N 1 3 315.461 2.354 20 0 DEADHO C[N@H+]1CCC[C@H](CNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000108333802 402250621 /nfs/dbraw/zinc/25/06/21/402250621.db2.gz YJDPOVUZIDXEII-QGZVFWFLSA-N 1 3 315.461 2.354 20 0 DEADHO CN(C)[C@@H](CNC(=O)CCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000155851801 402269017 /nfs/dbraw/zinc/26/90/17/402269017.db2.gz NEVIRJNJJHZWMR-GOSISDBHSA-N 1 3 317.477 2.055 20 0 DEADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)CCN(C)C ZINC000176176027 402286733 /nfs/dbraw/zinc/28/67/33/402286733.db2.gz ULIYQOHHWUTHCV-UHFFFAOYSA-N 1 3 320.481 2.231 20 0 DEADHO CN1CCC[C@@H]1CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176272454 402295567 /nfs/dbraw/zinc/29/55/67/402295567.db2.gz QOXBZDBSEPZJGV-QGZVFWFLSA-N 1 3 322.497 2.177 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1C=CCCC1 ZINC000158532611 402307551 /nfs/dbraw/zinc/30/75/51/402307551.db2.gz NJSFSZOCHBUMAK-IRXDYDNUSA-N 1 3 322.497 2.153 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1C=CCCC1 ZINC000158532611 402307553 /nfs/dbraw/zinc/30/75/53/402307553.db2.gz NJSFSZOCHBUMAK-IRXDYDNUSA-N 1 3 322.497 2.153 20 0 DEADHO CCN(CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)C1CC1 ZINC000158541367 402308180 /nfs/dbraw/zinc/30/81/80/402308180.db2.gz FXRHEMWCXNTAIO-INIZCTEOSA-N 1 3 322.497 2.131 20 0 DEADHO C[C@@H]1C[C@@H](NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)CC[N@@H+]1C ZINC000222693880 402308759 /nfs/dbraw/zinc/30/87/59/402308759.db2.gz MSBIEDGCJXDZFW-VHDGCEQUSA-N 1 3 311.470 2.362 20 0 DEADHO C[C@@H]1C[C@@H](NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)CC[N@H+]1C ZINC000222693880 402308761 /nfs/dbraw/zinc/30/87/61/402308761.db2.gz MSBIEDGCJXDZFW-VHDGCEQUSA-N 1 3 311.470 2.362 20 0 DEADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000176559180 402319618 /nfs/dbraw/zinc/31/96/18/402319618.db2.gz SKMPCWICJAXYGY-WBVHZDCISA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)CCC2CC[NH2+]CC2)CC1 ZINC000236606612 402367613 /nfs/dbraw/zinc/36/76/13/402367613.db2.gz HKNSENDHZUIOBG-UHFFFAOYSA-N 1 3 309.498 2.347 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000236773864 402382389 /nfs/dbraw/zinc/38/23/89/402382389.db2.gz FMLPZYNUCXJZDN-IRXDYDNUSA-N 1 3 315.461 2.316 20 0 DEADHO C[NH+](C)CCOCCNCc1cccc(OC(F)(F)F)c1 ZINC000226745471 402329409 /nfs/dbraw/zinc/32/94/09/402329409.db2.gz URRMBIQFIPIQTA-UHFFFAOYSA-N 1 3 306.328 2.253 20 0 DEADHO CCN(CC)CCC[C@H](C)[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000227846169 402334102 /nfs/dbraw/zinc/33/41/02/402334102.db2.gz OYQNWXJIPYILSZ-HRCADAONSA-N 1 3 318.527 2.442 20 0 DEADHO C[N@H+](CCCN1CCCCC1)CC(C)(C)CN1CCOCC1 ZINC000162025605 402407051 /nfs/dbraw/zinc/40/70/51/402407051.db2.gz XTLPBTRBHUCCIM-UHFFFAOYSA-N 1 3 311.514 2.153 20 0 DEADHO C[N@@H+](CCCN1CCCCC1)CC(C)(C)CN1CCOCC1 ZINC000162025605 402407052 /nfs/dbraw/zinc/40/70/52/402407052.db2.gz XTLPBTRBHUCCIM-UHFFFAOYSA-N 1 3 311.514 2.153 20 0 DEADHO CN(CCC[NH+]1CCCCC1)CC(C)(C)CN1CCOCC1 ZINC000162025605 402407056 /nfs/dbraw/zinc/40/70/56/402407056.db2.gz XTLPBTRBHUCCIM-UHFFFAOYSA-N 1 3 311.514 2.153 20 0 DEADHO C[C@H]1C[C@H](NC(=O)C2([NH3+])CCCC2)CN1Cc1ccccc1 ZINC000237562294 402413268 /nfs/dbraw/zinc/41/32/68/402413268.db2.gz SUFPNXRBVRHQKH-HOCLYGCPSA-N 1 3 301.434 2.037 20 0 DEADHO C[C@@H]1CCC[C@@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000162473947 402421194 /nfs/dbraw/zinc/42/11/94/402421194.db2.gz PJRMIQIHVSTFJT-HZPDHXFCSA-N 1 3 321.509 2.488 20 0 DEADHO COCC1(CN2CCN(C3CC[NH+](C(C)C)CC3)CC2)CCC1 ZINC000361328194 292232733 /nfs/dbraw/zinc/23/27/33/292232733.db2.gz IHRNUEZGXQYJJP-UHFFFAOYSA-N 1 3 323.525 2.294 20 0 DEADHO O=C([C@H]1CCCCN1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000237995419 402430902 /nfs/dbraw/zinc/43/09/02/402430902.db2.gz AFJDSGOTSVCCHA-QGZVFWFLSA-N 1 3 307.482 2.243 20 0 DEADHO O=C([C@H]1CCCCN1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000237995419 402430906 /nfs/dbraw/zinc/43/09/06/402430906.db2.gz AFJDSGOTSVCCHA-QGZVFWFLSA-N 1 3 307.482 2.243 20 0 DEADHO Cc1nn(C)cc1[C@@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000178037027 402454588 /nfs/dbraw/zinc/45/45/88/402454588.db2.gz WZIJAPZKNHHCMU-QLFBSQMISA-N 1 3 308.470 2.269 20 0 DEADHO Cc1nc(C)c([C@H](C)NCCN2CCC([NH+](C)C)CC2)s1 ZINC000178289674 402480563 /nfs/dbraw/zinc/48/05/63/402480563.db2.gz QYFKWYWFDFXQRB-LBPRGKRZSA-N 1 3 310.511 2.437 20 0 DEADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000166002281 402480723 /nfs/dbraw/zinc/48/07/23/402480723.db2.gz KIKBMQSAHVUGPE-GOEBONIOSA-N 1 3 322.449 2.465 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)C(C)(C)C[NH3+])CCN1Cc1ccccc1 ZINC000167542352 402492352 /nfs/dbraw/zinc/49/23/52/402492352.db2.gz LNARLHFWEKZEQX-HOCLYGCPSA-N 1 3 303.450 2.141 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000245876132 402493128 /nfs/dbraw/zinc/49/31/28/402493128.db2.gz IEYGRBWKHYVAGD-HZMVEIRTSA-N 1 3 322.497 2.127 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000339470228 296645811 /nfs/dbraw/zinc/64/58/11/296645811.db2.gz PYDDSUMBQVZXCM-INMHGKMJSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000168783887 402498729 /nfs/dbraw/zinc/49/87/29/402498729.db2.gz LCQJOLZDOXXZGA-HMQMGEFJSA-N 1 3 301.434 2.036 20 0 DEADHO CC[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000168783887 402498733 /nfs/dbraw/zinc/49/87/33/402498733.db2.gz LCQJOLZDOXXZGA-HMQMGEFJSA-N 1 3 301.434 2.036 20 0 DEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)[C@H](CN)c2ccccc2)C1 ZINC000246699058 402541600 /nfs/dbraw/zinc/54/16/00/402541600.db2.gz WDDMVJAIIIBXBQ-FUHWJXTLSA-N 1 3 317.477 2.357 20 0 DEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@H](CN)c2ccccc2)C1 ZINC000246699058 402541602 /nfs/dbraw/zinc/54/16/02/402541602.db2.gz WDDMVJAIIIBXBQ-FUHWJXTLSA-N 1 3 317.477 2.357 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)CN1C1CC1 ZINC000246929254 402549442 /nfs/dbraw/zinc/54/94/42/402549442.db2.gz GWXUXCLEAISJRP-QBPKDAKJSA-N 1 3 309.498 2.091 20 0 DEADHO CN(CC1CC[NH2+]CC1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000178974113 402560795 /nfs/dbraw/zinc/56/07/95/402560795.db2.gz FEJQHVFQACVQQJ-QGZVFWFLSA-N 1 3 301.434 2.113 20 0 DEADHO COC[C@@H](NC1CC[NH+](C2CCCC2)CC1)C1CCOCC1 ZINC000188111279 402515618 /nfs/dbraw/zinc/51/56/18/402515618.db2.gz RNJIUIMQYBEWCB-GOSISDBHSA-N 1 3 310.482 2.425 20 0 DEADHO CC(C)(C)[C@H](N)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000178653667 402521770 /nfs/dbraw/zinc/52/17/70/402521770.db2.gz YQDBMMHLBMOBTG-MRXNPFEDSA-N 1 3 303.450 2.272 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)C1 ZINC000246266635 402522113 /nfs/dbraw/zinc/52/21/13/402522113.db2.gz ACCCAOBYHDGFOH-WCXIOVBPSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)C1 ZINC000246266635 402522117 /nfs/dbraw/zinc/52/21/17/402522117.db2.gz ACCCAOBYHDGFOH-WCXIOVBPSA-N 1 3 309.498 2.342 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)CN1C1CC1 ZINC000246422555 402530563 /nfs/dbraw/zinc/53/05/63/402530563.db2.gz VTPVQJJVYFZZNI-OAGGEKHMSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NCCC[N@H+]2CCCC[C@H]2C)CN1C1CC1 ZINC000246422555 402530564 /nfs/dbraw/zinc/53/05/64/402530564.db2.gz VTPVQJJVYFZZNI-OAGGEKHMSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC2CCN(c3ccncc3)CC2)CCN1C ZINC000179468560 402590758 /nfs/dbraw/zinc/59/07/58/402590758.db2.gz DDNKRVWLBQXOKR-WBVHZDCISA-N 1 3 302.466 2.370 20 0 DEADHO C[C@H]([NH3+])CCC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000248852274 402611240 /nfs/dbraw/zinc/61/12/40/402611240.db2.gz JULAIEXJOKGMFQ-WOSRLPQWSA-N 1 3 309.479 2.375 20 0 DEADHO C[C@H](NCCn1cccn1)c1cccc(OCC[NH+](C)C)c1 ZINC000180431740 402616311 /nfs/dbraw/zinc/61/63/11/402616311.db2.gz OPRWFGHEIXMVFV-HNNXBMFYSA-N 1 3 302.422 2.174 20 0 DEADHO CN(C(=O)C[C@H]1CC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000249585744 402635607 /nfs/dbraw/zinc/63/56/07/402635607.db2.gz SXIVRONAHMNLIC-MSOLQXFVSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000249791966 402641793 /nfs/dbraw/zinc/64/17/93/402641793.db2.gz VHNLHWCQESCHPO-BRWVUGGUSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000249791966 402641795 /nfs/dbraw/zinc/64/17/95/402641795.db2.gz VHNLHWCQESCHPO-BRWVUGGUSA-N 1 3 324.513 2.280 20 0 DEADHO Cc1ccccc1CNC(=O)[C@@H](C)[NH2+]C1CCN(C(C)C)CC1 ZINC000173614879 402704868 /nfs/dbraw/zinc/70/48/68/402704868.db2.gz LRMCXJWZJMJUCP-MRXNPFEDSA-N 1 3 317.477 2.462 20 0 DEADHO C[C@@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000192122334 402713032 /nfs/dbraw/zinc/71/30/32/402713032.db2.gz IEYGXNMWXYGFNC-OWCLPIDISA-N 1 3 303.450 2.093 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)C1 ZINC000174283571 402735202 /nfs/dbraw/zinc/73/52/02/402735202.db2.gz GWWCVWWXVQATRP-YESZJQIVSA-N 1 3 324.513 2.233 20 0 DEADHO CCC[C@@H](N)C(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000263018956 402741040 /nfs/dbraw/zinc/74/10/40/402741040.db2.gz ZSYYFZWRZPFMBO-CABCVRRESA-N 1 3 321.490 2.346 20 0 DEADHO COCCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000192665039 402743368 /nfs/dbraw/zinc/74/33/68/402743368.db2.gz CIRWBQIIODBWCP-ALOPSCKCSA-N 1 3 304.434 2.427 20 0 DEADHO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000183216805 402748108 /nfs/dbraw/zinc/74/81/08/402748108.db2.gz NMMIBMXKUBHCLQ-CQSZACIVSA-N 1 3 321.465 2.050 20 0 DEADHO CN(CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)Cc1ccccc1 ZINC000263238559 402749055 /nfs/dbraw/zinc/74/90/55/402749055.db2.gz FLUKPNRHGJANJT-BZSNNMDCSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)N(C)C1CC1 ZINC000174739423 402754562 /nfs/dbraw/zinc/75/45/62/402754562.db2.gz TZPVBOBVZISLNY-GDBMZVCRSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N(C)C1CC1 ZINC000174739423 402754564 /nfs/dbraw/zinc/75/45/64/402754564.db2.gz TZPVBOBVZISLNY-GDBMZVCRSA-N 1 3 322.497 2.033 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000262086951 402721979 /nfs/dbraw/zinc/72/19/79/402721979.db2.gz HPJDENXZVWLJHQ-GVDBMIGSSA-N 1 3 303.450 2.313 20 0 DEADHO CC1CC([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000184407461 402841521 /nfs/dbraw/zinc/84/15/21/402841521.db2.gz AMFHJOUFRKWGOZ-UHFFFAOYSA-N 1 3 315.461 2.400 20 0 DEADHO C=Cn1cc(C[NH2+]CCc2ccc(OCCN(C)C)cc2)cn1 ZINC000278926287 402886973 /nfs/dbraw/zinc/88/69/73/402886973.db2.gz VMQOGFZUSHQPRC-UHFFFAOYSA-N 1 3 314.433 2.256 20 0 DEADHO CN1CC=C(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000272031516 402888883 /nfs/dbraw/zinc/88/88/83/402888883.db2.gz WTSIKZBDRBNBLG-UHFFFAOYSA-N 1 3 313.445 2.274 20 0 DEADHO C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000279194092 402914447 /nfs/dbraw/zinc/91/44/47/402914447.db2.gz FHUBKVZTPQHFJM-PVAVHDDUSA-N 1 3 303.450 2.184 20 0 DEADHO COc1coc(C[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)cc1=O ZINC000273306703 402992938 /nfs/dbraw/zinc/99/29/38/402992938.db2.gz SPCQIRZCPSIVQE-UONOGXRCSA-N 1 3 320.433 2.391 20 0 DEADHO CC[C@H](C(=O)N(CCC[NH3+])Cc1ccccc1)N(CC)CC ZINC000280265672 402981643 /nfs/dbraw/zinc/98/16/43/402981643.db2.gz XMZDFOYAVILVJZ-QGZVFWFLSA-N 1 3 305.466 2.484 20 0 DEADHO CCOc1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000268407100 403080555 /nfs/dbraw/zinc/08/05/55/403080555.db2.gz GGEUUMGPBBLJKW-UHFFFAOYSA-N 1 3 306.450 2.410 20 0 DEADHO Cc1cc(NCc2cccc(C(=O)NCCN(C)C)c2)cc[nH+]1 ZINC000274777036 403086772 /nfs/dbraw/zinc/08/67/72/403086772.db2.gz CQTYCSPPDMLZSK-UHFFFAOYSA-N 1 3 312.417 2.294 20 0 DEADHO COCCC[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(F)cc1 ZINC000282013680 403113422 /nfs/dbraw/zinc/11/34/22/403113422.db2.gz RNHSKYGCUYYQJM-ROUUACIJSA-N 1 3 324.440 2.340 20 0 DEADHO CN1CCC(O)(C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000275680825 403115145 /nfs/dbraw/zinc/11/51/45/403115145.db2.gz ZXULKOHNYFPJFM-ZWKOTPCHSA-N 1 3 302.462 2.444 20 0 DEADHO C[C@H]1C[C@@H](NCCC(=O)Nc2cc(F)cc(F)c2)CC[N@@H+]1C ZINC000566733323 292264337 /nfs/dbraw/zinc/26/43/37/292264337.db2.gz PXPZULBWVUZOTA-FZMZJTMJSA-N 1 3 311.376 2.366 20 0 DEADHO C[C@H]1C[C@@H](NCCC(=O)Nc2cc(F)cc(F)c2)CC[N@H+]1C ZINC000566733323 292264338 /nfs/dbraw/zinc/26/43/38/292264338.db2.gz PXPZULBWVUZOTA-FZMZJTMJSA-N 1 3 311.376 2.366 20 0 DEADHO C[C@H]1C[C@H](NCCC(=O)Nc2cc(F)cc(F)c2)CC[N@@H+]1C ZINC000566733325 292264585 /nfs/dbraw/zinc/26/45/85/292264585.db2.gz PXPZULBWVUZOTA-SMDDNHRTSA-N 1 3 311.376 2.366 20 0 DEADHO C[C@H]1C[C@H](NCCC(=O)Nc2cc(F)cc(F)c2)CC[N@H+]1C ZINC000566733325 292264588 /nfs/dbraw/zinc/26/45/88/292264588.db2.gz PXPZULBWVUZOTA-SMDDNHRTSA-N 1 3 311.376 2.366 20 0 DEADHO CC[NH+](CC)CC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000282956694 403163860 /nfs/dbraw/zinc/16/38/60/403163860.db2.gz NTMYVIVHAWTAJB-OAHLLOKOSA-N 1 3 311.857 2.401 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000282956694 403163862 /nfs/dbraw/zinc/16/38/62/403163862.db2.gz NTMYVIVHAWTAJB-OAHLLOKOSA-N 1 3 311.857 2.401 20 0 DEADHO C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000284152477 403249830 /nfs/dbraw/zinc/24/98/30/403249830.db2.gz VUPOQWCVVRYPKL-KSSFIOAISA-N 1 3 304.434 2.427 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H](N)CC(F)F)C1 ZINC000345704540 403445356 /nfs/dbraw/zinc/44/53/56/403445356.db2.gz DSXJJWQWQVFQBM-MCIONIFRSA-N 1 3 317.424 2.082 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H](N)CC(F)F)C1 ZINC000345704540 403445359 /nfs/dbraw/zinc/44/53/59/403445359.db2.gz DSXJJWQWQVFQBM-MCIONIFRSA-N 1 3 317.424 2.082 20 0 DEADHO C[C@H]1[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)CCCN1C ZINC000345779825 403481610 /nfs/dbraw/zinc/48/16/10/403481610.db2.gz LTSCJPDXLWYTQT-GOEBONIOSA-N 1 3 310.486 2.081 20 0 DEADHO CC[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)N(C)C ZINC000298896363 403482716 /nfs/dbraw/zinc/48/27/16/403482716.db2.gz NBQZQMAGACEWNP-INIZCTEOSA-N 1 3 309.429 2.056 20 0 DEADHO C[C@H]1C[C@H](NCc2cccc(N3CCOCC3)c2)CC[N@@H+]1C ZINC000293628266 403522532 /nfs/dbraw/zinc/52/25/32/403522532.db2.gz GHHGKUFPCSERAE-DOTOQJQBSA-N 1 3 303.450 2.096 20 0 DEADHO C[C@H]1C[C@H](NCc2cccc(N3CCOCC3)c2)CC[N@H+]1C ZINC000293628266 403522535 /nfs/dbraw/zinc/52/25/35/403522535.db2.gz GHHGKUFPCSERAE-DOTOQJQBSA-N 1 3 303.450 2.096 20 0 DEADHO Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000566909800 292276480 /nfs/dbraw/zinc/27/64/80/292276480.db2.gz PEEOTKKFKJTIIU-QZTJIDSGSA-N 1 3 320.477 2.445 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000332568197 403591356 /nfs/dbraw/zinc/59/13/56/403591356.db2.gz XZNCLRHNNSDHOY-NVXWUHKLSA-N 1 3 322.497 2.164 20 0 DEADHO C[C@@H](CC[NH+](C)C)NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000287229915 403557065 /nfs/dbraw/zinc/55/70/65/403557065.db2.gz NWPDFEPXRBEXFI-XJKSGUPXSA-N 1 3 324.444 2.068 20 0 DEADHO CC[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000346087046 403573262 /nfs/dbraw/zinc/57/32/62/403573262.db2.gz UHVKZRJPEWALDU-SJORKVTESA-N 1 3 303.450 2.315 20 0 DEADHO CC[C@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000346087046 403573266 /nfs/dbraw/zinc/57/32/66/403573266.db2.gz UHVKZRJPEWALDU-SJORKVTESA-N 1 3 303.450 2.315 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000346168714 403577371 /nfs/dbraw/zinc/57/73/71/403577371.db2.gz URHAXQBKRJDTJO-QBPKDAKJSA-N 1 3 307.482 2.050 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000346168714 403577374 /nfs/dbraw/zinc/57/73/74/403577374.db2.gz URHAXQBKRJDTJO-QBPKDAKJSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@H](C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1)[NH+](CC)CC ZINC000346198795 403578591 /nfs/dbraw/zinc/57/85/91/403578591.db2.gz RTGDNSZMDDDRFT-MWDXBVQZSA-N 1 3 309.498 2.296 20 0 DEADHO C[C@@H]1C[C@H]1N1CCN(C(=O)CC[N@@H+]2CCCC[C@@H]2C)C[C@@H](C)C1 ZINC000346202321 403578645 /nfs/dbraw/zinc/57/86/45/403578645.db2.gz UBTDYRHDEBXDOO-XWTMOSNGSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H]1C[C@H]1N1CCN(C(=O)CC[N@H+]2CCCC[C@@H]2C)C[C@@H](C)C1 ZINC000346202321 403578649 /nfs/dbraw/zinc/57/86/49/403578649.db2.gz UBTDYRHDEBXDOO-XWTMOSNGSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)[C@@]1(C)CCCO1 ZINC000340518794 403634569 /nfs/dbraw/zinc/63/45/69/403634569.db2.gz WULKBFXKOICHMN-ZYSHUDEJSA-N 1 3 318.461 2.300 20 0 DEADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3ccc4c[nH]nc4c3)CC2)C1 ZINC000333089839 403663365 /nfs/dbraw/zinc/66/33/65/403663365.db2.gz CFTLEMZQKWPQFC-FUHWJXTLSA-N 1 3 314.433 2.281 20 0 DEADHO c1cc(N2CCC([NH2+][C@H]3CCN4CCCC[C@H]34)CC2)ccn1 ZINC000294213973 403674165 /nfs/dbraw/zinc/67/41/65/403674165.db2.gz MUKKIWOPVZWFPV-ZWKOTPCHSA-N 1 3 300.450 2.267 20 0 DEADHO Cc1nn(C(C)C)cc1CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000333164869 403682888 /nfs/dbraw/zinc/68/28/88/403682888.db2.gz OQSLHPKUJIMGDY-QZTJIDSGSA-N 1 3 320.481 2.491 20 0 DEADHO C[C@H](CNC(=O)c1oc2ccccc2c1CN(C)C)C[NH+](C)C ZINC000294300477 403697011 /nfs/dbraw/zinc/69/70/11/403697011.db2.gz RGZDRBDRKWKZLJ-CYBMUJFWSA-N 1 3 317.433 2.422 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)CCN1C ZINC000340930484 403702204 /nfs/dbraw/zinc/70/22/04/403702204.db2.gz ACNIGTOAPKJPST-HOTGVXAUSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)CCN1C ZINC000340930484 403702207 /nfs/dbraw/zinc/70/22/07/403702207.db2.gz ACNIGTOAPKJPST-HOTGVXAUSA-N 1 3 324.513 2.423 20 0 DEADHO CC(C)c1nnc2n1C[C@H]([NH2+][C@H]1C[C@H](N)c3ccccc31)CC2 ZINC000333242180 403704150 /nfs/dbraw/zinc/70/41/50/403704150.db2.gz FCGSBIAYFQXRPH-KCXAZCMYSA-N 1 3 311.433 2.451 20 0 DEADHO CCCN(C)CC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000347455991 403716154 /nfs/dbraw/zinc/71/61/54/403716154.db2.gz VOWURJPRKKQMFF-UHFFFAOYSA-N 1 3 318.465 2.098 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000347493781 403729742 /nfs/dbraw/zinc/72/97/42/403729742.db2.gz REZNOHANXJVLAA-QGZVFWFLSA-N 1 3 324.513 2.234 20 0 DEADHO C(Cc1nnc2n1CCCCC2)N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000333347968 403730916 /nfs/dbraw/zinc/73/09/16/403730916.db2.gz ZRTMUPVDSMIIIZ-OAGGEKHMSA-N 1 3 317.481 2.057 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CCN1C ZINC000341009088 403734017 /nfs/dbraw/zinc/73/40/17/403734017.db2.gz AKGAOCBAWBJMCS-UKRRQHHQSA-N 1 3 310.486 2.031 20 0 DEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)CC2CCN(C)CC2)C1 ZINC000347519855 403739146 /nfs/dbraw/zinc/73/91/46/403739146.db2.gz KICSZGIPNVXABG-INIZCTEOSA-N 1 3 309.498 2.347 20 0 DEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)CC2CCN(C)CC2)C1 ZINC000347519855 403739148 /nfs/dbraw/zinc/73/91/48/403739148.db2.gz KICSZGIPNVXABG-INIZCTEOSA-N 1 3 309.498 2.347 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000303476768 403755229 /nfs/dbraw/zinc/75/52/29/403755229.db2.gz OYOYXDQRLFUHDI-MRXNPFEDSA-N 1 3 324.513 2.425 20 0 DEADHO CC[NH+]1CCC(N(C)C[C@H](O)COCc2cccs2)CC1 ZINC000303980829 403757529 /nfs/dbraw/zinc/75/75/29/403757529.db2.gz FLHAOJIREIAULS-HNNXBMFYSA-N 1 3 312.479 2.042 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)CC[C@H]2CCC[NH2+]2)cc1 ZINC000295243555 403809390 /nfs/dbraw/zinc/80/93/90/403809390.db2.gz SWPDQJSTFCCJAP-IAGOWNOFSA-N 1 3 303.450 2.458 20 0 DEADHO CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000341195759 403821538 /nfs/dbraw/zinc/82/15/38/403821538.db2.gz IETRWDUDOJTMJA-RDJZCZTQSA-N 1 3 324.513 2.233 20 0 DEADHO C[NH+](C)CCCOc1cnccc1CN[C@@H]1CCCOCC1 ZINC000343919320 403792404 /nfs/dbraw/zinc/79/24/04/403792404.db2.gz CFBOKZYTHYIWLA-MRXNPFEDSA-N 1 3 307.438 2.071 20 0 DEADHO C[C@@H](CC1CCOCC1)[NH2+]Cc1ccncc1OCCN(C)C ZINC000343925950 403795546 /nfs/dbraw/zinc/79/55/46/403795546.db2.gz IYALZPDKUCPJBV-HNNXBMFYSA-N 1 3 321.465 2.317 20 0 DEADHO N[C@H](CC(F)F)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000362586046 403967951 /nfs/dbraw/zinc/96/79/51/403967951.db2.gz GKIYEWYTHQXCCA-SECBINFHSA-N 1 3 311.254 2.085 20 0 DEADHO CCO[C@@H]1C[C@@H](NC[C@@H](O)C[NH+]2CCC(C)CC2)C12CCC2 ZINC000344109586 403914580 /nfs/dbraw/zinc/91/45/80/403914580.db2.gz SSMAPOIHPVHHHF-BRWVUGGUSA-N 1 3 310.482 2.017 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C1CC(C)(C)C1 ZINC000351816565 403936693 /nfs/dbraw/zinc/93/66/93/403936693.db2.gz ZNWZDSRELHIQLJ-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C1CC(C)(C)C1 ZINC000351816565 403936703 /nfs/dbraw/zinc/93/67/03/403936703.db2.gz ZNWZDSRELHIQLJ-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CCN1C[C@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)[C@@H](C)C1 ZINC000344154573 403944940 /nfs/dbraw/zinc/94/49/40/403944940.db2.gz PARLSBVMIFKOAO-SXLOBPIMSA-N 1 3 315.505 2.481 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000362405771 403953477 /nfs/dbraw/zinc/95/34/77/403953477.db2.gz XEUZSTPCQDNOES-QGTPRVQTSA-N 1 3 317.477 2.166 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000362405771 403953486 /nfs/dbraw/zinc/95/34/86/403953486.db2.gz XEUZSTPCQDNOES-QGTPRVQTSA-N 1 3 317.477 2.166 20 0 DEADHO CC[NH+]1CCC(CNC(=O)[C@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000316593329 404028297 /nfs/dbraw/zinc/02/82/97/404028297.db2.gz OLKIMZPEESMPQT-RHSMWYFYSA-N 1 3 303.450 2.171 20 0 DEADHO c1cncc(CN2CCC(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000341457955 403977798 /nfs/dbraw/zinc/97/77/98/403977798.db2.gz MPPMMTHEOJOWBS-RBUKOAKNSA-N 1 3 314.477 2.262 20 0 DEADHO c1cncc(CN2CCC(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000341457955 403977800 /nfs/dbraw/zinc/97/78/00/403977800.db2.gz MPPMMTHEOJOWBS-RBUKOAKNSA-N 1 3 314.477 2.262 20 0 DEADHO Cc1nccn1CC[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000354881609 404076703 /nfs/dbraw/zinc/07/67/03/404076703.db2.gz VDQRNOKTWFTKCL-UHFFFAOYSA-N 1 3 313.449 2.435 20 0 DEADHO Cc1nccn1CC[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000354881609 404076711 /nfs/dbraw/zinc/07/67/11/404076711.db2.gz VDQRNOKTWFTKCL-UHFFFAOYSA-N 1 3 313.449 2.435 20 0 DEADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000323928330 404096430 /nfs/dbraw/zinc/09/64/30/404096430.db2.gz XDOOUQUQAPRFSP-FJIDUMEYSA-N 1 3 319.493 2.099 20 0 DEADHO CC1CC[NH+](C[C@H](O)CNC[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348262348 404054766 /nfs/dbraw/zinc/05/47/66/404054766.db2.gz QVTYWEWDOKYGHO-IPMKNSEASA-N 1 3 302.462 2.473 20 0 DEADHO CCc1cccc(OC[C@@H](O)C[NH2+]C[C@H](C)CN2CCCC2)c1 ZINC000320724557 404069305 /nfs/dbraw/zinc/06/93/05/404069305.db2.gz MMVQHLKACNJJOD-WMZOPIPTSA-N 1 3 320.477 2.310 20 0 DEADHO CCc1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000320910894 404070912 /nfs/dbraw/zinc/07/09/12/404070912.db2.gz DBIIEOYZNVDWDW-WMZOPIPTSA-N 1 3 318.461 2.063 20 0 DEADHO CCc1cccc(OC[C@@H](O)CNC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000320910894 404070921 /nfs/dbraw/zinc/07/09/21/404070921.db2.gz DBIIEOYZNVDWDW-WMZOPIPTSA-N 1 3 318.461 2.063 20 0 DEADHO CCc1cccc(OC[C@@H](O)CNC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000320910894 404070928 /nfs/dbraw/zinc/07/09/28/404070928.db2.gz DBIIEOYZNVDWDW-WMZOPIPTSA-N 1 3 318.461 2.063 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000352139631 404170863 /nfs/dbraw/zinc/17/08/63/404170863.db2.gz GQLKZWDYOYVSQJ-ZWKOTPCHSA-N 1 3 317.477 2.211 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000352139631 404170871 /nfs/dbraw/zinc/17/08/71/404170871.db2.gz GQLKZWDYOYVSQJ-ZWKOTPCHSA-N 1 3 317.477 2.211 20 0 DEADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000337682392 404179836 /nfs/dbraw/zinc/17/98/36/404179836.db2.gz NULWEWXMUMBMFM-DLBZAZTESA-N 1 3 324.513 2.138 20 0 DEADHO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000337682392 404179842 /nfs/dbraw/zinc/17/98/42/404179842.db2.gz NULWEWXMUMBMFM-DLBZAZTESA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000344530914 404208239 /nfs/dbraw/zinc/20/82/39/404208239.db2.gz BNJYKCXXOHZWEB-BRWVUGGUSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000344530914 404208248 /nfs/dbraw/zinc/20/82/48/404208248.db2.gz BNJYKCXXOHZWEB-BRWVUGGUSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]([NH2+]CCc1cnccn1)c1ccc(OCCN(C)C)cc1 ZINC000341893460 404239624 /nfs/dbraw/zinc/23/96/24/404239624.db2.gz XXDDRDKKSWDBMH-HNNXBMFYSA-N 1 3 314.433 2.310 20 0 DEADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN(C)CC[C@@H]2C)C1 ZINC000355504776 404345263 /nfs/dbraw/zinc/34/52/63/404345263.db2.gz IRIRSGYMFATACQ-HOTGVXAUSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN(C)CC[C@@H]2C)C1 ZINC000355504776 404345266 /nfs/dbraw/zinc/34/52/66/404345266.db2.gz IRIRSGYMFATACQ-HOTGVXAUSA-N 1 3 324.513 2.233 20 0 DEADHO CCC(CC)[C@@H](CNC(=O)N[C@@H](C)CN(C)C)[NH+]1CCCC1 ZINC000350247463 404352908 /nfs/dbraw/zinc/35/29/08/404352908.db2.gz KRQXSTVFNSHFGH-GOEBONIOSA-N 1 3 312.502 2.136 20 0 DEADHO CCN(CCNC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1)C1CC1 ZINC000338466925 404371364 /nfs/dbraw/zinc/37/13/64/404371364.db2.gz VUCOVORBOSMYAP-MAUKXSAKSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000291354780 404382097 /nfs/dbraw/zinc/38/20/97/404382097.db2.gz YEVFSFVTDLWERA-NVXWUHKLSA-N 1 3 320.481 2.317 20 0 DEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000291354780 404382100 /nfs/dbraw/zinc/38/21/00/404382100.db2.gz YEVFSFVTDLWERA-NVXWUHKLSA-N 1 3 320.481 2.317 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CCN1C ZINC000338575203 404413024 /nfs/dbraw/zinc/41/30/24/404413024.db2.gz YMHNNHKIEMXQRA-CRAIPNDOSA-N 1 3 315.461 2.495 20 0 DEADHO CC[C@H]1CCCCN1C(=O)[C@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000350951512 404496515 /nfs/dbraw/zinc/49/65/15/404496515.db2.gz PERRIYKVZPGDDD-RDJZCZTQSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H](N[C@@H]1C=C[C@@H](CO)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000345048727 404517039 /nfs/dbraw/zinc/51/70/39/404517039.db2.gz FFAMVLSOWUCXQW-ZMSDIMECSA-N 1 3 304.434 2.215 20 0 DEADHO CN(C)C[C@@H](NC(=O)CC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000291658503 404466543 /nfs/dbraw/zinc/46/65/43/404466543.db2.gz CMIXYHPYZFQECA-QGZVFWFLSA-N 1 3 321.440 2.277 20 0 DEADHO OCC[C@H](NC1CCN(c2cc[nH+]cc2)CC1)c1ccco1 ZINC000297294720 404539505 /nfs/dbraw/zinc/53/95/05/404539505.db2.gz ASFDUDCIYAYWBF-INIZCTEOSA-N 1 3 301.390 2.357 20 0 DEADHO C[C@H](CNC(=O)N(C)CC1CC[NH+](C)CC1)N1CCCC[C@@H]1C ZINC000351347387 404558008 /nfs/dbraw/zinc/55/80/08/404558008.db2.gz AHXJGOPPDZXAHN-JKSUJKDBSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000342409278 404559571 /nfs/dbraw/zinc/55/95/71/404559571.db2.gz AQFQRZKDNKOYLE-KBAYOESNSA-N 1 3 319.493 2.479 20 0 DEADHO C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000342409278 404559579 /nfs/dbraw/zinc/55/95/79/404559579.db2.gz AQFQRZKDNKOYLE-KBAYOESNSA-N 1 3 319.493 2.479 20 0 DEADHO NC(=O)[C@@H](Cc1ccccc1)NCCCCC[NH+]1CCCCC1 ZINC000351386571 404570973 /nfs/dbraw/zinc/57/09/73/404570973.db2.gz NZQCPJKGGVXKOD-GOSISDBHSA-N 1 3 317.477 2.329 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000356530575 404575456 /nfs/dbraw/zinc/57/54/56/404575456.db2.gz QQLIFDJUMUMIRG-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000356530575 404575460 /nfs/dbraw/zinc/57/54/60/404575460.db2.gz QQLIFDJUMUMIRG-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO OC1CC[NH+](CCCNC/C=C\c2ccc(F)c(F)c2)CC1 ZINC000352722379 404575480 /nfs/dbraw/zinc/57/54/80/404575480.db2.gz BRKQKJDUELPSDB-IWQZZHSRSA-N 1 3 310.388 2.414 20 0 DEADHO CCc1ccc(C[NH2+]CCCCN2CCN(CC)CC2)cn1 ZINC000352767081 404605025 /nfs/dbraw/zinc/60/50/25/404605025.db2.gz BMNLZNCNSACECF-UHFFFAOYSA-N 1 3 304.482 2.151 20 0 DEADHO C[C@H](CCN(C)C)[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000345199943 404608858 /nfs/dbraw/zinc/60/88/58/404608858.db2.gz GCHJYHQUTVYTAD-OLZOCXBDSA-N 1 3 313.467 2.049 20 0 DEADHO [NH3+][C@@H]1CC[C@@H]2CN(CCCc3nc(-c4ccccc4)no3)C[C@@H]12 ZINC000351500791 404611785 /nfs/dbraw/zinc/61/17/85/404611785.db2.gz XLWJFSMTJYVMHY-BZUAXINKSA-N 1 3 312.417 2.338 20 0 DEADHO CN(C[C@@H](O)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000351500183 404612230 /nfs/dbraw/zinc/61/22/30/404612230.db2.gz WTXAPPKJGMAXFH-PKOBYXMFSA-N 1 3 323.525 2.030 20 0 DEADHO C[C@@H]1CN(CC2CC[NH+](C[C@H]3CCCOC3)CC2)C[C@H](C)O1 ZINC000342619233 404680458 /nfs/dbraw/zinc/68/04/58/404680458.db2.gz SYWVZLHVSKGLSN-SOLBZPMBSA-N 1 3 310.482 2.234 20 0 DEADHO Cc1ccc([C@@H](C)[N@H+](C)C[C@H]2CCCN(C(=O)CN)C2)c(C)c1 ZINC000414670631 404704356 /nfs/dbraw/zinc/70/43/56/404704356.db2.gz DIHXOHVKDVQONF-IAGOWNOFSA-N 1 3 317.477 2.494 20 0 DEADHO Cc1ccc([C@@H](C)[N@@H+](C)C[C@H]2CCCN(C(=O)CN)C2)c(C)c1 ZINC000414670631 404704359 /nfs/dbraw/zinc/70/43/59/404704359.db2.gz DIHXOHVKDVQONF-IAGOWNOFSA-N 1 3 317.477 2.494 20 0 DEADHO CCC[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414674537 404706200 /nfs/dbraw/zinc/70/62/00/404706200.db2.gz KOEZYMQFTZJIGB-INIZCTEOSA-N 1 3 321.440 2.235 20 0 DEADHO CCC[N@H+](Cc1ccc(F)cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414674537 404706203 /nfs/dbraw/zinc/70/62/03/404706203.db2.gz KOEZYMQFTZJIGB-INIZCTEOSA-N 1 3 321.440 2.235 20 0 DEADHO C[C@H]1CCCN(C(=O)CN2CCCC3(CC[NH+](C)CC3)C2)C1 ZINC000374175801 404700208 /nfs/dbraw/zinc/70/02/08/404700208.db2.gz ROSIUZVQOOOJCX-INIZCTEOSA-N 1 3 307.482 2.053 20 0 DEADHO CC(C)N1CCC[C@@H](N2CCCC3(CC[NH+](C)CC3)C2)C1=O ZINC000374179027 404700320 /nfs/dbraw/zinc/70/03/20/404700320.db2.gz ZUJZIZPQRCOUBA-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO COc1cc2c(cc1CN1CCC[C@H]([C@@H]3CC[NH2+]C3)C1)OCO2 ZINC000414783533 404734207 /nfs/dbraw/zinc/73/42/07/404734207.db2.gz PZDSGVDHPIGTIA-KGLIPLIRSA-N 1 3 318.417 2.245 20 0 DEADHO FC(F)(F)c1ccc(CNCCCN2CC[NH2+]CC2)s1 ZINC000414786577 404735741 /nfs/dbraw/zinc/73/57/41/404735741.db2.gz XGDILEVDAGEUMX-UHFFFAOYSA-N 1 3 307.385 2.152 20 0 DEADHO CCOC(=O)COc1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000414795711 404738105 /nfs/dbraw/zinc/73/81/05/404738105.db2.gz GZFDPOXQEUDJQQ-RDJZCZTQSA-N 1 3 320.433 2.236 20 0 DEADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NCC[C@H](C)[NH3+] ZINC000414823342 404741772 /nfs/dbraw/zinc/74/17/72/404741772.db2.gz OEJNNMMSLDOEKD-QWHCGFSZSA-N 1 3 311.857 2.404 20 0 DEADHO COc1cccc(NC(=O)C[C@@H](C)N[C@H](C[NH3+])CC(C)C)c1 ZINC000414830747 404743340 /nfs/dbraw/zinc/74/33/40/404743340.db2.gz BNSCNBWOIDSARR-HIFRSBDPSA-N 1 3 307.438 2.375 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000414853500 404749632 /nfs/dbraw/zinc/74/96/32/404749632.db2.gz KVBQVRARYNJGOG-ZNMIVQPWSA-N 1 3 319.449 2.390 20 0 DEADHO CC(C)[C@](C)(C[NH3+])NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000414893141 404760672 /nfs/dbraw/zinc/76/06/72/404760672.db2.gz XWUBQXZODCDAFC-KRWDZBQOSA-N 1 3 322.453 2.122 20 0 DEADHO Cn1c2ccc(C(F)(F)F)cc2nc1CNCCCC[NH3+] ZINC000414905374 404762990 /nfs/dbraw/zinc/76/29/90/404762990.db2.gz OCLGHSAWMYNKTJ-UHFFFAOYSA-N 1 3 300.328 2.421 20 0 DEADHO CCOc1cccc(CNCC2(SC)CC[NH+](C)CC2)n1 ZINC000353186251 404763858 /nfs/dbraw/zinc/76/38/58/404763858.db2.gz DFPVOFRRVHYVSA-UHFFFAOYSA-N 1 3 309.479 2.397 20 0 DEADHO Cc1cccc(C(C)(C)[NH2+]C[C@@H]2CCCN(C(=O)CN)C2)c1 ZINC000414713204 404714807 /nfs/dbraw/zinc/71/48/07/404714807.db2.gz TYRKNZJECCAWGL-HNNXBMFYSA-N 1 3 303.450 2.017 20 0 DEADHO C[C@@H]1C[C@@H](CNC(C)(C)c2cn(-c3ccccc3)nn2)CC[NH2+]1 ZINC000414713808 404715122 /nfs/dbraw/zinc/71/51/22/404715122.db2.gz UKWSUNFNWWCXRM-CABCVRRESA-N 1 3 313.449 2.480 20 0 DEADHO CC[C@H]1Cc2ccccc2C[N@@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414733116 404718757 /nfs/dbraw/zinc/71/87/57/404718757.db2.gz CMZVCHPYFNTPMD-QAPCUYQASA-N 1 3 315.461 2.021 20 0 DEADHO CC[C@H]1Cc2ccccc2C[N@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414733116 404718759 /nfs/dbraw/zinc/71/87/59/404718759.db2.gz CMZVCHPYFNTPMD-QAPCUYQASA-N 1 3 315.461 2.021 20 0 DEADHO NCC(=O)N1CCC[C@H](C[NH+]2CCC(c3ccsc3)CC2)C1 ZINC000414736320 404720235 /nfs/dbraw/zinc/72/02/35/404720235.db2.gz GLVROWWZONWWSM-CQSZACIVSA-N 1 3 321.490 2.125 20 0 DEADHO C[C@@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)CC12CCCCC2 ZINC000414759501 404725788 /nfs/dbraw/zinc/72/57/88/404725788.db2.gz OMBOSZBTEPGDGE-SJORKVTESA-N 1 3 321.509 2.476 20 0 DEADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)CC12CCCCC2 ZINC000414759501 404725791 /nfs/dbraw/zinc/72/57/91/404725791.db2.gz OMBOSZBTEPGDGE-SJORKVTESA-N 1 3 321.509 2.476 20 0 DEADHO Cc1cccc(C)c1CNC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414965404 404777758 /nfs/dbraw/zinc/77/77/58/404777758.db2.gz CTJBXQGLNROQDD-OAHLLOKOSA-N 1 3 315.383 2.229 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000353458682 404836192 /nfs/dbraw/zinc/83/61/92/404836192.db2.gz FEPUXQBEEBGWBD-KRWDZBQOSA-N 1 3 317.477 2.439 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000353458682 404836194 /nfs/dbraw/zinc/83/61/94/404836194.db2.gz FEPUXQBEEBGWBD-KRWDZBQOSA-N 1 3 317.477 2.439 20 0 DEADHO COc1cc(OC)c(CNC[C@H]2CCC[C@H]([NH3+])C2)c(OC)c1 ZINC000415003788 404786360 /nfs/dbraw/zinc/78/63/60/404786360.db2.gz XKNZAYXAFNRNSI-STQMWFEESA-N 1 3 308.422 2.320 20 0 DEADHO CCN(CC)c1ncc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)s1 ZINC000415005366 404786514 /nfs/dbraw/zinc/78/65/14/404786514.db2.gz JFSKJBDPVSPYNY-LSDHHAIUSA-N 1 3 308.495 2.467 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000359234831 404787603 /nfs/dbraw/zinc/78/76/03/404787603.db2.gz YQUZFHMLKXVCHP-HOTGVXAUSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000359234831 404787605 /nfs/dbraw/zinc/78/76/05/404787605.db2.gz YQUZFHMLKXVCHP-HOTGVXAUSA-N 1 3 322.497 2.177 20 0 DEADHO c1ncn(-c2ccc(CN3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc2)n1 ZINC000415033759 404792230 /nfs/dbraw/zinc/79/22/30/404792230.db2.gz BZCQWCDVASBNCJ-WMZOPIPTSA-N 1 3 311.433 2.231 20 0 DEADHO C[C@@H]1C[C@H](CN[C@H]2CCN(c3ccccc3Cl)C2=O)CC[NH2+]1 ZINC000415076536 404801940 /nfs/dbraw/zinc/80/19/40/404801940.db2.gz CVQJHJUNDFYAFC-NFAWXSAZSA-N 1 3 321.852 2.423 20 0 DEADHO C[C@@H]1C[C@H](CN[C@@H]2CCN(c3ccccc3Cl)C2=O)CC[NH2+]1 ZINC000415076538 404802083 /nfs/dbraw/zinc/80/20/83/404802083.db2.gz CVQJHJUNDFYAFC-UMVBOHGHSA-N 1 3 321.852 2.423 20 0 DEADHO Cc1ccccc1C(C)(C)C[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000415091781 404804728 /nfs/dbraw/zinc/80/47/28/404804728.db2.gz QWGOYBFVZOZQDA-INIZCTEOSA-N 1 3 317.477 2.060 20 0 DEADHO C[C@@H](C[C@H]1CCC[NH2+]1)NCC1(N2CCOCC2)CCCCC1 ZINC000415097710 404806287 /nfs/dbraw/zinc/80/62/87/404806287.db2.gz DDHNTHDXWHCBRY-DLBZAZTESA-N 1 3 309.498 2.142 20 0 DEADHO c1sc(CCNC[C@@H]2CCC[NH2+]C2)nc1-c1ccccn1 ZINC000415098839 404807215 /nfs/dbraw/zinc/80/72/15/404807215.db2.gz FXKZSLYBWPYARD-CYBMUJFWSA-N 1 3 302.447 2.337 20 0 DEADHO CCC[NH+]1CCC(N[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000376145539 404809268 /nfs/dbraw/zinc/80/92/68/404809268.db2.gz UJVUZUBRKYHWOU-KRWDZBQOSA-N 1 3 322.497 2.131 20 0 DEADHO COCCOc1cccc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)c1 ZINC000366533919 404809508 /nfs/dbraw/zinc/80/95/08/404809508.db2.gz JASQFDHZJHLZEW-GOSISDBHSA-N 1 3 304.434 2.239 20 0 DEADHO COCCOc1cccc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)c1 ZINC000366533919 404809511 /nfs/dbraw/zinc/80/95/11/404809511.db2.gz JASQFDHZJHLZEW-GOSISDBHSA-N 1 3 304.434 2.239 20 0 DEADHO [NH3+]Cc1cn([C@@H]2CCCN(C/C=C\c3ccc(F)cc3)C2)nn1 ZINC000415124239 404813421 /nfs/dbraw/zinc/81/34/21/404813421.db2.gz KAEGICMRWBFHMF-YKUAXSNGSA-N 1 3 315.396 2.226 20 0 DEADHO NCc1cn([C@@H]2CCC[N@H+](C/C=C\c3ccc(F)cc3)C2)nn1 ZINC000415124239 404813424 /nfs/dbraw/zinc/81/34/24/404813424.db2.gz KAEGICMRWBFHMF-YKUAXSNGSA-N 1 3 315.396 2.226 20 0 DEADHO NCc1cn([C@@H]2CCC[N@@H+](C/C=C\c3ccc(F)cc3)C2)nn1 ZINC000415124239 404813427 /nfs/dbraw/zinc/81/34/27/404813427.db2.gz KAEGICMRWBFHMF-YKUAXSNGSA-N 1 3 315.396 2.226 20 0 DEADHO CCC[NH2+]CCNC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000415210237 404828309 /nfs/dbraw/zinc/82/83/09/404828309.db2.gz WQHDMFYKRKNUDQ-UHFFFAOYSA-N 1 3 322.453 2.057 20 0 DEADHO C[C@@H](O)C[C@@H](C)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000361028355 404884775 /nfs/dbraw/zinc/88/47/75/404884775.db2.gz FKERNDWAYGRPNZ-HZPDHXFCSA-N 1 3 319.493 2.466 20 0 DEADHO CCC([NH3+])(CC)CNC(=O)Nc1ccccc1CCN(C)C ZINC000415572168 404887438 /nfs/dbraw/zinc/88/74/38/404887438.db2.gz NBUSALYSGKZOJW-UHFFFAOYSA-N 1 3 306.454 2.430 20 0 DEADHO CC(C)(N)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423858466 404894774 /nfs/dbraw/zinc/89/47/74/404894774.db2.gz ZPWRWRVRFQTIAE-UHFFFAOYSA-N 1 3 315.461 2.238 20 0 DEADHO CC(C)(N)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423858466 404894777 /nfs/dbraw/zinc/89/47/77/404894777.db2.gz ZPWRWRVRFQTIAE-UHFFFAOYSA-N 1 3 315.461 2.238 20 0 DEADHO COC[C@]1(C)CCN(C/C=C/C[N@@H+]2CC[C@](C)(COC)C2)C1 ZINC000451200137 404898150 /nfs/dbraw/zinc/89/81/50/404898150.db2.gz GPYRROCJFNBJGJ-FBLDJFESSA-N 1 3 310.482 2.259 20 0 DEADHO COC[C@]1(C)CCN(C/C=C/C[N@H+]2CC[C@](C)(COC)C2)C1 ZINC000451200137 404898157 /nfs/dbraw/zinc/89/81/57/404898157.db2.gz GPYRROCJFNBJGJ-FBLDJFESSA-N 1 3 310.482 2.259 20 0 DEADHO COC[C@]1(C)CC[N@@H+](C/C=C/CN2CC[C@](C)(COC)C2)C1 ZINC000451200137 404898164 /nfs/dbraw/zinc/89/81/64/404898164.db2.gz GPYRROCJFNBJGJ-FBLDJFESSA-N 1 3 310.482 2.259 20 0 DEADHO COC[C@]1(C)CC[N@H+](C/C=C/CN2CC[C@](C)(COC)C2)C1 ZINC000451200137 404898171 /nfs/dbraw/zinc/89/81/71/404898171.db2.gz GPYRROCJFNBJGJ-FBLDJFESSA-N 1 3 310.482 2.259 20 0 DEADHO COC[C@@H](C)NC(=[NH2+])NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000366819646 404852691 /nfs/dbraw/zinc/85/26/91/404852691.db2.gz NHZUOFJOPZSVEJ-CRAIPNDOSA-N 1 3 318.465 2.047 20 0 DEADHO CNCc1ccccc1NC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000415901394 404965790 /nfs/dbraw/zinc/96/57/90/404965790.db2.gz MWJPEYRIACURQN-AWEZNQCLSA-N 1 3 304.438 2.259 20 0 DEADHO C[C@@H](CCC[NH3+])NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000416783369 404908876 /nfs/dbraw/zinc/90/88/76/404908876.db2.gz HABVOXFQVDAYTG-DOTOQJQBSA-N 1 3 318.465 2.250 20 0 DEADHO COc1ccc([C@@H](C)NCCOCC[NH+](C)C)c(C)c1OC ZINC000353682422 404918591 /nfs/dbraw/zinc/91/85/91/404918591.db2.gz CYVFETDEVXEIJM-CQSZACIVSA-N 1 3 310.438 2.241 20 0 DEADHO CC[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423909667 404924542 /nfs/dbraw/zinc/92/45/42/404924542.db2.gz UGZRAZKKKNVTNR-BZSNNMDCSA-N 1 3 315.461 2.237 20 0 DEADHO CC[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423909667 404924549 /nfs/dbraw/zinc/92/45/49/404924549.db2.gz UGZRAZKKKNVTNR-BZSNNMDCSA-N 1 3 315.461 2.237 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N[C@H](C[NH3+])C1CC1)c1ccccc1 ZINC000416841629 404930966 /nfs/dbraw/zinc/93/09/66/404930966.db2.gz MCGCZYPHFXGBEQ-IAGOWNOFSA-N 1 3 318.465 2.106 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]([NH3+])C1CC1)c1ccccc1 ZINC000416844070 404931726 /nfs/dbraw/zinc/93/17/26/404931726.db2.gz PLKIOWHWGILUQZ-SJORKVTESA-N 1 3 318.465 2.106 20 0 DEADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC000353704970 404931853 /nfs/dbraw/zinc/93/18/53/404931853.db2.gz GTNVNGIDDBXQFQ-AEFFLSMTSA-N 1 3 319.493 2.051 20 0 DEADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC000353704970 404931856 /nfs/dbraw/zinc/93/18/56/404931856.db2.gz GTNVNGIDDBXQFQ-AEFFLSMTSA-N 1 3 319.493 2.051 20 0 DEADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]([NH3+])C1CC1)c1ccccc1 ZINC000416844066 404932048 /nfs/dbraw/zinc/93/20/48/404932048.db2.gz PLKIOWHWGILUQZ-IAGOWNOFSA-N 1 3 318.465 2.106 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)NC1CC[NH+](CC)CC1 ZINC000416855058 404938385 /nfs/dbraw/zinc/93/83/85/404938385.db2.gz PSLUIFSLKQDWIH-QGZVFWFLSA-N 1 3 318.465 2.032 20 0 DEADHO CCN1CCC(NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000416860293 404939286 /nfs/dbraw/zinc/93/92/86/404939286.db2.gz VPFHYRCODAXECO-WBVHZDCISA-N 1 3 322.497 2.034 20 0 DEADHO COCCOCCN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435690430 405004499 /nfs/dbraw/zinc/00/44/99/405004499.db2.gz CFVATOTVWOQGLS-INIZCTEOSA-N 1 3 324.490 2.355 20 0 DEADHO C[C@@H](CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)N1CCC[C@@H](C)C1 ZINC000417018638 405004594 /nfs/dbraw/zinc/00/45/94/405004594.db2.gz PZJRAMCXEAOIIP-YYIAUSFCSA-N 1 3 324.513 2.171 20 0 DEADHO Cc1nccn1CCCCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000367310317 405007812 /nfs/dbraw/zinc/00/78/12/405007812.db2.gz PXNQOBMBUQHWTH-KZNAEPCWSA-N 1 3 320.481 2.155 20 0 DEADHO CC[NH+](CC)CCOC1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000354026149 405008534 /nfs/dbraw/zinc/00/85/34/405008534.db2.gz OKVTWMHKNMLTKQ-UHFFFAOYSA-N 1 3 322.497 2.360 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000417035022 405012658 /nfs/dbraw/zinc/01/26/58/405012658.db2.gz SEBZMOOINOMWLD-INIZCTEOSA-N 1 3 322.497 2.036 20 0 DEADHO COc1ccsc1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000354041028 405016169 /nfs/dbraw/zinc/01/61/69/405016169.db2.gz QMRDJPDAHMUMTL-HUUCEWRRSA-N 1 3 323.506 2.215 20 0 DEADHO COc1ccsc1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000354041028 405016173 /nfs/dbraw/zinc/01/61/73/405016173.db2.gz QMRDJPDAHMUMTL-HUUCEWRRSA-N 1 3 323.506 2.215 20 0 DEADHO CN1CC[C@@H](C[NH2+]C2CCN(C3CCCCC3)CC2)CC1=O ZINC000424183981 405032613 /nfs/dbraw/zinc/03/26/13/405032613.db2.gz DDRAKDOCZIQQSA-OAHLLOKOSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)N1CCN(CCC[N@H+](C)[C@H](CO)CC(C)(C)C)CC1 ZINC000451778609 405034002 /nfs/dbraw/zinc/03/40/02/405034002.db2.gz DJSQWNBNYRITOB-KRWDZBQOSA-N 1 3 313.530 2.131 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+](C)[C@H](CO)CC(C)(C)C)CC1 ZINC000451778609 405034005 /nfs/dbraw/zinc/03/40/05/405034005.db2.gz DJSQWNBNYRITOB-KRWDZBQOSA-N 1 3 313.530 2.131 20 0 DEADHO CN(C)[C@@H](CC(=O)NCC1CC[NH+](C)CC1)c1ccccc1 ZINC000416142175 405034548 /nfs/dbraw/zinc/03/45/48/405034548.db2.gz BXJXXLBAQDUBRB-KRWDZBQOSA-N 1 3 303.450 2.137 20 0 DEADHO CC[NH2+]Cc1cccc(NC(=O)N2CCN(C)CC[C@H]2C)c1 ZINC000415936281 404976699 /nfs/dbraw/zinc/97/66/99/404976699.db2.gz SVAQAWWGZCPSLR-CQSZACIVSA-N 1 3 304.438 2.354 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(CNC)c2)C1 ZINC000415949419 404981554 /nfs/dbraw/zinc/98/15/54/404981554.db2.gz ZMOOEKAJXOBODT-HNNXBMFYSA-N 1 3 304.438 2.212 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(CNC)c2)C1 ZINC000415949419 404981559 /nfs/dbraw/zinc/98/15/59/404981559.db2.gz ZMOOEKAJXOBODT-HNNXBMFYSA-N 1 3 304.438 2.212 20 0 DEADHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000424045444 404982883 /nfs/dbraw/zinc/98/28/83/404982883.db2.gz UGVFNGLOFBLJIV-SJLPKXTDSA-N 1 3 315.461 2.313 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000424047864 404983570 /nfs/dbraw/zinc/98/35/70/404983570.db2.gz WDJIKXVGYLNBMX-CMPFZWEDSA-N 1 3 319.493 2.131 20 0 DEADHO CC(C)O[C@H]1C[C@@H](NC[C@@H](O)C[NH+]2CCC(C)CC2)C1(C)C ZINC000361236092 404986775 /nfs/dbraw/zinc/98/67/75/404986775.db2.gz CJKYIFBTWSMCDD-ZACQAIPSSA-N 1 3 312.498 2.261 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)CC1 ZINC000451419362 404988165 /nfs/dbraw/zinc/98/81/65/404988165.db2.gz KZYCQMPNUPJDIF-GUDVDZBRSA-N 1 3 323.525 2.028 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)CC1 ZINC000451419362 404988168 /nfs/dbraw/zinc/98/81/68/404988168.db2.gz KZYCQMPNUPJDIF-GUDVDZBRSA-N 1 3 323.525 2.028 20 0 DEADHO C[C@H]1[C@H](NC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CCCN1C ZINC000415977663 404991977 /nfs/dbraw/zinc/99/19/77/404991977.db2.gz SWDARRHNPNHVCN-SMDDNHRTSA-N 1 3 320.412 2.076 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)N1CCN[C@@H](C)C1)c1ccsc1 ZINC000417008636 404998923 /nfs/dbraw/zinc/99/89/23/404998923.db2.gz MFQQUODSATXMKP-ZFWWWQNUSA-N 1 3 324.494 2.134 20 0 DEADHO CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000417013056 405001311 /nfs/dbraw/zinc/00/13/11/405001311.db2.gz BPDZKEPIHKCMDN-IRXDYDNUSA-N 1 3 318.465 2.106 20 0 DEADHO C[C@H](C[NH3+])CNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000417740739 405095569 /nfs/dbraw/zinc/09/55/69/405095569.db2.gz SCRIKYZWJBQJJK-VNHYZAJKSA-N 1 3 324.494 2.025 20 0 DEADHO C[C@H]1CC2(CN1CC(=O)N(C)C1CCC(C)CC1)CC[NH2+]CC2 ZINC000424288523 405057407 /nfs/dbraw/zinc/05/74/07/405057407.db2.gz KKGRBGDYPJLMSB-CGZBRXJRSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](CNC(=O)NC[C@@H](N)c1ccccc1)C[NH+]1CCCCC1 ZINC000417195221 405058862 /nfs/dbraw/zinc/05/88/62/405058862.db2.gz QFQFIPADVHIYNR-NVXWUHKLSA-N 1 3 318.465 2.108 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000354142051 405064614 /nfs/dbraw/zinc/06/46/14/405064614.db2.gz GMYIJQKDXZZEBP-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO Cn1cc([C@@H]2CC[N@H+](C[C@H](CN)c3ccc(F)cc3)C2)cn1 ZINC000424305688 405064892 /nfs/dbraw/zinc/06/48/92/405064892.db2.gz SWPIFPSUCAGHCJ-CABCVRRESA-N 1 3 302.397 2.091 20 0 DEADHO Cn1cc([C@@H]2CC[N@@H+](C[C@H](CN)c3ccc(F)cc3)C2)cn1 ZINC000424305688 405064895 /nfs/dbraw/zinc/06/48/95/405064895.db2.gz SWPIFPSUCAGHCJ-CABCVRRESA-N 1 3 302.397 2.091 20 0 DEADHO Cn1cc([C@@H]2CCN(C[C@H](C[NH3+])c3ccc(F)cc3)C2)cn1 ZINC000424305688 405064902 /nfs/dbraw/zinc/06/49/02/405064902.db2.gz SWPIFPSUCAGHCJ-CABCVRRESA-N 1 3 302.397 2.091 20 0 DEADHO CN(C)C[C@H]1CC[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000436375022 405075111 /nfs/dbraw/zinc/07/51/11/405075111.db2.gz XFEOCVQRMZJGQD-GFCCVEGCSA-N 1 3 311.376 2.177 20 0 DEADHO CN(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000436375022 405075116 /nfs/dbraw/zinc/07/51/16/405075116.db2.gz XFEOCVQRMZJGQD-GFCCVEGCSA-N 1 3 311.376 2.177 20 0 DEADHO COC(=O)c1cc(CN2CC3(C[C@H]2C)CC[NH2+]CC3)oc1C ZINC000424368565 405075941 /nfs/dbraw/zinc/07/59/41/405075941.db2.gz ANMMZJYCAYDFLL-GFCCVEGCSA-N 1 3 306.406 2.339 20 0 DEADHO C[C@@H](CCCC[NH3+])NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000417575903 405091614 /nfs/dbraw/zinc/09/16/14/405091614.db2.gz GOKRHMZLECDWBU-HOTGVXAUSA-N 1 3 320.481 2.324 20 0 DEADHO C[C@H]1NCCN(C(=O)NCCCCC[NH+]2CCCCC2)[C@@H]1C ZINC000417716892 405093554 /nfs/dbraw/zinc/09/35/54/405093554.db2.gz UOIRYACGDKHSQV-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCN1C ZINC000361510814 405107526 /nfs/dbraw/zinc/10/75/26/405107526.db2.gz LPUWBOOQYKRMSH-OAGGEKHMSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCN1C ZINC000361510814 405107530 /nfs/dbraw/zinc/10/75/30/405107530.db2.gz LPUWBOOQYKRMSH-OAGGEKHMSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)n1cc(CNCC2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000367961959 405204071 /nfs/dbraw/zinc/20/40/71/405204071.db2.gz JNBULUKBAJWSNU-UHFFFAOYSA-N 1 3 314.437 2.260 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418696422 405170050 /nfs/dbraw/zinc/17/00/50/405170050.db2.gz KSHFEMXOYLPGIS-IRXDYDNUSA-N 1 3 318.465 2.030 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000368300163 405235271 /nfs/dbraw/zinc/23/52/71/405235271.db2.gz VMZZIMBKTAOSLY-MRXNPFEDSA-N 1 3 303.450 2.305 20 0 DEADHO CN(C)C(=O)[C@@H](NCCCC[N@H+](C)C1CC1)c1ccccc1 ZINC000419298936 405236676 /nfs/dbraw/zinc/23/66/76/405236676.db2.gz JCUJHGYYLRJLOU-KRWDZBQOSA-N 1 3 303.450 2.280 20 0 DEADHO CN(C)C(=O)[C@@H](NCCCC[N@@H+](C)C1CC1)c1ccccc1 ZINC000419298936 405236678 /nfs/dbraw/zinc/23/66/78/405236678.db2.gz JCUJHGYYLRJLOU-KRWDZBQOSA-N 1 3 303.450 2.280 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN2CCC(n3ccnc3)CC2)cc1 ZINC000420309271 405313825 /nfs/dbraw/zinc/31/38/25/405313825.db2.gz DULIBPJMMQEXSA-MRXNPFEDSA-N 1 3 314.433 2.271 20 0 DEADHO COc1ccc([C@H](CN)C[NH+]2CCC(n3ccnc3)CC2)cc1 ZINC000420309271 405313828 /nfs/dbraw/zinc/31/38/28/405313828.db2.gz DULIBPJMMQEXSA-MRXNPFEDSA-N 1 3 314.433 2.271 20 0 DEADHO C[C@H](CNC(=O)NCCCC[N@H+](C)C1CC1)N1CCCC[C@@H]1C ZINC000454251644 405317951 /nfs/dbraw/zinc/31/79/51/405317951.db2.gz COLALXHHSSBWPF-JKSUJKDBSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@H](CNC(=O)NCCCC[N@@H+](C)C1CC1)N1CCCC[C@@H]1C ZINC000454251644 405317952 /nfs/dbraw/zinc/31/79/52/405317952.db2.gz COLALXHHSSBWPF-JKSUJKDBSA-N 1 3 324.513 2.423 20 0 DEADHO c1ccc(CCC2CCN(CCN3CC[NH2+]CC3)CC2)cc1 ZINC000420325030 405320159 /nfs/dbraw/zinc/32/01/59/405320159.db2.gz VYOCKUADAHFVDV-UHFFFAOYSA-N 1 3 301.478 2.236 20 0 DEADHO O=C1[C@H](N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CCN1c1ccccc1 ZINC000420330548 405322229 /nfs/dbraw/zinc/32/22/29/405322229.db2.gz QCDFZEROVMOZCW-JFIYKMOQSA-N 1 3 313.445 2.113 20 0 DEADHO CCN(C(=O)[C@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000420337273 405324670 /nfs/dbraw/zinc/32/46/70/405324670.db2.gz NAECJXJVADGVQG-YESZJQIVSA-N 1 3 315.461 2.359 20 0 DEADHO C[C@H](NC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1cccs1 ZINC000420341461 405325625 /nfs/dbraw/zinc/32/56/25/405325625.db2.gz OPVLDIXYOLVYCI-ZNMIVQPWSA-N 1 3 321.490 2.247 20 0 DEADHO CN(C(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)C1CCCCC1 ZINC000420341444 405325701 /nfs/dbraw/zinc/32/57/01/405325701.db2.gz OMILWLBPJKZXSH-JKSUJKDBSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420342863 405326378 /nfs/dbraw/zinc/32/63/78/405326378.db2.gz QCXNDUPYFNMVIN-NCOADZHNSA-N 1 3 307.482 2.003 20 0 DEADHO C[C@H](CN1CCCCCC1)NCc1cc(C2CC[NH2+]CC2)no1 ZINC000425895151 405327340 /nfs/dbraw/zinc/32/73/40/405327340.db2.gz IAAYCXLMWKWWGU-OAHLLOKOSA-N 1 3 320.481 2.496 20 0 DEADHO C[C@@H](NC(=O)[C@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000420347311 405327995 /nfs/dbraw/zinc/32/79/95/405327995.db2.gz YAESBKMACFOAGX-ATLSCFEFSA-N 1 3 315.461 2.184 20 0 DEADHO Fc1ccc([C@@H](CC(F)(F)F)NCCN2CC[NH2+]CC2)cc1 ZINC000420374570 405337329 /nfs/dbraw/zinc/33/73/29/405337329.db2.gz OCYSNAOGADNABO-CQSZACIVSA-N 1 3 319.346 2.314 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444266002 405340813 /nfs/dbraw/zinc/34/08/13/405340813.db2.gz HUNKIHRXWXIOLK-CYBMUJFWSA-N 1 3 315.417 2.366 20 0 DEADHO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420399795 405343677 /nfs/dbraw/zinc/34/36/77/405343677.db2.gz IDTMSINLIANLHV-CADBVGFASA-N 1 3 320.477 2.101 20 0 DEADHO CC(C)C[C@H]1OCCC[C@@H]1NC[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420399795 405343678 /nfs/dbraw/zinc/34/36/78/405343678.db2.gz IDTMSINLIANLHV-CADBVGFASA-N 1 3 320.477 2.101 20 0 DEADHO C[C@@H]1CCN(CCC(=O)NCc2ccccc2Cl)C[C@H]1C[NH3+] ZINC000420408196 405345930 /nfs/dbraw/zinc/34/59/30/405345930.db2.gz PEXJEGRTLCYWNN-UKRRQHHQSA-N 1 3 323.868 2.263 20 0 DEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](C)N(C)C)C1 ZINC000454481744 405352366 /nfs/dbraw/zinc/35/23/66/405352366.db2.gz IIHVMZCMHZOGDT-LSDHHAIUSA-N 1 3 312.502 2.136 20 0 DEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](C)N(C)C)C1 ZINC000454481744 405352367 /nfs/dbraw/zinc/35/23/67/405352367.db2.gz IIHVMZCMHZOGDT-LSDHHAIUSA-N 1 3 312.502 2.136 20 0 DEADHO CCN1CC[C@H]([NH2+]Cc2cc3ccccc3n(C)c2=O)[C@H](C)C1 ZINC000426354626 405353679 /nfs/dbraw/zinc/35/36/79/405353679.db2.gz UOOZCDAHRITQGG-PBHICJAKSA-N 1 3 313.445 2.358 20 0 DEADHO CC(C)N1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000439834696 405293853 /nfs/dbraw/zinc/29/38/53/405293853.db2.gz WAYNCFLPXRJXBE-KRWDZBQOSA-N 1 3 307.482 2.336 20 0 DEADHO CC(C)N1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000439834696 405293856 /nfs/dbraw/zinc/29/38/56/405293856.db2.gz WAYNCFLPXRJXBE-KRWDZBQOSA-N 1 3 307.482 2.336 20 0 DEADHO CN(C[C@@H]1CCCN1C)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000420760309 405380104 /nfs/dbraw/zinc/38/01/04/405380104.db2.gz JXPNPWDQBCNWQV-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000446862682 405395247 /nfs/dbraw/zinc/39/52/47/405395247.db2.gz RVEPLTXDRQNGFJ-GJZGRUSLSA-N 1 3 307.438 2.043 20 0 DEADHO O=C(C[C@H]1CCC[NH2+]CC1)N1CCC[C@H]1CN1CCCCC1 ZINC000427320366 405399585 /nfs/dbraw/zinc/39/95/85/405399585.db2.gz LZKKXIUUWSEHSG-IRXDYDNUSA-N 1 3 307.482 2.243 20 0 DEADHO CC[NH+]1CCC(N2CCCN(Cc3cncc(C)c3)CC2)CC1 ZINC000420972533 405417748 /nfs/dbraw/zinc/41/77/48/405417748.db2.gz BEDOSLWOESZADW-UHFFFAOYSA-N 1 3 316.493 2.382 20 0 DEADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(C)cn3)CC2)CC1 ZINC000420976515 405418959 /nfs/dbraw/zinc/41/89/59/405418959.db2.gz HDLNGJVVMMTEJO-UHFFFAOYSA-N 1 3 316.493 2.382 20 0 DEADHO CCN1CCC([N@H+]2CCCN(Cc3ccc(C)cn3)CC2)CC1 ZINC000420976515 405418961 /nfs/dbraw/zinc/41/89/61/405418961.db2.gz HDLNGJVVMMTEJO-UHFFFAOYSA-N 1 3 316.493 2.382 20 0 DEADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(C)cn3)CC2)CC1 ZINC000420976515 405418962 /nfs/dbraw/zinc/41/89/62/405418962.db2.gz HDLNGJVVMMTEJO-UHFFFAOYSA-N 1 3 316.493 2.382 20 0 DEADHO CCCC[N@H+](C)CC1CCN(CCN2CCCOCC2)CC1 ZINC000429718703 405445544 /nfs/dbraw/zinc/44/55/44/405445544.db2.gz NSFRUAZQMDZXED-UHFFFAOYSA-N 1 3 311.514 2.153 20 0 DEADHO CCCC[N@@H+](C)CC1CCN(CCN2CCCOCC2)CC1 ZINC000429718703 405445548 /nfs/dbraw/zinc/44/55/48/405445548.db2.gz NSFRUAZQMDZXED-UHFFFAOYSA-N 1 3 311.514 2.153 20 0 DEADHO CN1CCC[C@@H](CNC(=O)CC[NH2+]C2CC2)[C@@H]1c1cccs1 ZINC000577625688 405484395 /nfs/dbraw/zinc/48/43/95/405484395.db2.gz PLRWHJLNFSWCRG-SUMWQHHRSA-N 1 3 321.490 2.389 20 0 DEADHO C[C@H](C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)[C@H](N)c1ccccc1 ZINC000430735410 405500897 /nfs/dbraw/zinc/50/08/97/405500897.db2.gz YYKHXCOKSVPXOC-BPUTZDHNSA-N 1 3 303.450 2.217 20 0 DEADHO C[C@H](CC(=O)NC[C@H](C)N1CCCC[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000430767101 405504299 /nfs/dbraw/zinc/50/42/99/405504299.db2.gz YYDJKFUFVMDLPB-QZWWFDLISA-N 1 3 309.498 2.391 20 0 DEADHO CN1CCN(CCCC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000568601254 292352579 /nfs/dbraw/zinc/35/25/79/292352579.db2.gz HNBQPNSRWZLNCA-OALUTQOASA-N 1 3 301.478 2.407 20 0 DEADHO C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000635810066 405524459 /nfs/dbraw/zinc/52/44/59/405524459.db2.gz FOHJLEOXKKAIPA-ZBFHGGJFSA-N 1 3 303.450 2.136 20 0 DEADHO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC2(CC[NH2+]C2)CC1 ZINC000431038327 405564980 /nfs/dbraw/zinc/56/49/80/405564980.db2.gz RYPQLEIZLAQYBM-PMPSAXMXSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)(C[NH+]1CCCC1)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000458700875 405550330 /nfs/dbraw/zinc/55/03/30/405550330.db2.gz FPDWDDPMWUFKMV-MRXNPFEDSA-N 1 3 322.497 2.177 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000528285973 405551129 /nfs/dbraw/zinc/55/11/29/405551129.db2.gz DJJTWDQUAIYKJT-IAGOWNOFSA-N 1 3 322.497 2.129 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000528285973 405551135 /nfs/dbraw/zinc/55/11/35/405551135.db2.gz DJJTWDQUAIYKJT-IAGOWNOFSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H](CC(=O)Nc1ccc2c(c1)OCCNC2)[C@@H]1CCC[NH2+]C1 ZINC000638667882 405605699 /nfs/dbraw/zinc/60/56/99/405605699.db2.gz FGMCEUZEMYQSNE-UONOGXRCSA-N 1 3 317.433 2.133 20 0 DEADHO COc1cc(CN(C)C)ccc1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000633378612 405609493 /nfs/dbraw/zinc/60/94/93/405609493.db2.gz LWCALCWTHISCEJ-TZMCWYRMSA-N 1 3 305.422 2.036 20 0 DEADHO COc1cc(CN(C)C)ccc1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000633378612 405609496 /nfs/dbraw/zinc/60/94/96/405609496.db2.gz LWCALCWTHISCEJ-TZMCWYRMSA-N 1 3 305.422 2.036 20 0 DEADHO CC(C)CC[NH+]1CCC(CNC(=O)C2CCN(C)CC2)CC1 ZINC000431572712 405645149 /nfs/dbraw/zinc/64/51/49/405645149.db2.gz VVMWQCKUZHWWLW-UHFFFAOYSA-N 1 3 309.498 2.203 20 0 DEADHO COC1([C@@H](C)[NH2+]CCCN2CCCN(C)CC2)CCCCC1 ZINC000421825581 405651672 /nfs/dbraw/zinc/65/16/72/405651672.db2.gz OGQTZZNUVKWNGV-QGZVFWFLSA-N 1 3 311.514 2.341 20 0 DEADHO CC[C@@H]([NH2+]CCN1CCc2ccccc2C1=O)[C@H]1CCCCN1 ZINC000423076769 405700235 /nfs/dbraw/zinc/70/02/35/405700235.db2.gz ZRTCRQUMORBHCL-QZTJIDSGSA-N 1 3 315.461 2.195 20 0 DEADHO CC(C)C[C@H](N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000638835963 405704710 /nfs/dbraw/zinc/70/47/10/405704710.db2.gz OMNLETNLHQACOZ-JQHSSLGASA-N 1 3 317.477 2.244 20 0 DEADHO CC(C)C[C@H](N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000638835963 405704714 /nfs/dbraw/zinc/70/47/14/405704714.db2.gz OMNLETNLHQACOZ-JQHSSLGASA-N 1 3 317.477 2.244 20 0 DEADHO [NH3+][C@@H]1C[C@@H](N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c2ccccc21 ZINC000423154093 405706189 /nfs/dbraw/zinc/70/61/89/405706189.db2.gz HBZMFRGIOQMLMY-FCZZECIWSA-N 1 3 321.424 2.412 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000423196493 405719296 /nfs/dbraw/zinc/71/92/96/405719296.db2.gz ZVMYYWNIGDHVEC-DOMZBBRYSA-N 1 3 317.408 2.415 20 0 DEADHO Clc1cccc2c1OCCC[C@@H]2NCCCN1CC[NH2+]CC1 ZINC000423182242 405713627 /nfs/dbraw/zinc/71/36/27/405713627.db2.gz QHKUOHHRCVGDQP-INIZCTEOSA-N 1 3 323.868 2.439 20 0 DEADHO CC1(C)[NH2+]CC[C@@H]1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000449750624 405715421 /nfs/dbraw/zinc/71/54/21/405715421.db2.gz JKNLQJVXYYMHQQ-KRWDZBQOSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)C1 ZINC000423369680 405780753 /nfs/dbraw/zinc/78/07/53/405780753.db2.gz SXTJIPSOXZAEOE-ATLSCFEFSA-N 1 3 315.461 2.326 20 0 DEADHO CN(C)CCN(C(=O)NCCCC[N@H+](C)C1CC1)C1CCCC1 ZINC000459172377 405783299 /nfs/dbraw/zinc/78/32/99/405783299.db2.gz YNKUANHIOFHZSF-UHFFFAOYSA-N 1 3 324.513 2.377 20 0 DEADHO CN(C)CCN(C(=O)NCCCC[N@@H+](C)C1CC1)C1CCCC1 ZINC000459172377 405783309 /nfs/dbraw/zinc/78/33/09/405783309.db2.gz YNKUANHIOFHZSF-UHFFFAOYSA-N 1 3 324.513 2.377 20 0 DEADHO CCN1C[C@H](C)[C@H](N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000423379853 405783949 /nfs/dbraw/zinc/78/39/49/405783949.db2.gz XYHYTTWCDVUDMF-CSBKYJRVSA-N 1 3 323.431 2.340 20 0 DEADHO CN(C(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)[C@H]1CCN(C2CC2)C1 ZINC000423392650 405786936 /nfs/dbraw/zinc/78/69/36/405786936.db2.gz XYCGVYQVKVYXQY-DLBZAZTESA-N 1 3 315.461 2.408 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)C(C)(C)[C@@H](N)c2ccccc2)CC[N@@H+]1C ZINC000423396827 405789147 /nfs/dbraw/zinc/78/91/47/405789147.db2.gz BJBOLRDGBNUZAP-BMFZPTHFSA-N 1 3 303.450 2.312 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)C(C)(C)[C@@H](N)c2ccccc2)CC[N@H+]1C ZINC000423396827 405789151 /nfs/dbraw/zinc/78/91/51/405789151.db2.gz BJBOLRDGBNUZAP-BMFZPTHFSA-N 1 3 303.450 2.312 20 0 DEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2C[C@@H](C)CCN2)C1 ZINC000423413104 405795801 /nfs/dbraw/zinc/79/58/01/405795801.db2.gz YCYFLPKNQMWOTF-XHSDSOJGSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2C[C@@H](C)CCN2)C1 ZINC000423413104 405795805 /nfs/dbraw/zinc/79/58/05/405795805.db2.gz YCYFLPKNQMWOTF-XHSDSOJGSA-N 1 3 309.498 2.391 20 0 DEADHO CC[N@H+](CCNC(=O)C(C)(C)[C@@H](N)c1ccccc1)C1CC1 ZINC000423409754 405796428 /nfs/dbraw/zinc/79/64/28/405796428.db2.gz ZESPEGQXALAAIH-INIZCTEOSA-N 1 3 303.450 2.313 20 0 DEADHO CC[N@@H+](CCNC(=O)C(C)(C)[C@@H](N)c1ccccc1)C1CC1 ZINC000423409754 405796436 /nfs/dbraw/zinc/79/64/36/405796436.db2.gz ZESPEGQXALAAIH-INIZCTEOSA-N 1 3 303.450 2.313 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCN(C2CCC(C)CC2)CC1)[C@@H](C)[NH3+] ZINC000423416765 405798121 /nfs/dbraw/zinc/79/81/21/405798121.db2.gz GBSVSUQEIURLTC-MNAZLIDISA-N 1 3 309.498 2.329 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000423418544 405800289 /nfs/dbraw/zinc/80/02/89/405800289.db2.gz HOEFWHRKLDFYIE-IAGOWNOFSA-N 1 3 307.482 2.228 20 0 DEADHO C[C@H](C[NH2+]C[C@H](O)COc1ccccc1)CN1CCCCC1 ZINC000583989226 405801513 /nfs/dbraw/zinc/80/15/13/405801513.db2.gz LWXVYKIXDSGKHK-SJORKVTESA-N 1 3 306.450 2.138 20 0 DEADHO COC(=O)c1cnc([C@@H](C)NC[C@H]2CC[C@H](C[NH3+])CC2)s1 ZINC000423426014 405801878 /nfs/dbraw/zinc/80/18/78/405801878.db2.gz OTPJNKGAUVICTI-IJLUTSLNSA-N 1 3 311.451 2.345 20 0 DEADHO Cc1ccc(CN2CCCC2)cc1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000560392153 405805362 /nfs/dbraw/zinc/80/53/62/405805362.db2.gz QFVZHLXCJNGORK-INIZCTEOSA-N 1 3 301.434 2.481 20 0 DEADHO Cc1ccc(CN2CCCC2)cc1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000560392153 405805370 /nfs/dbraw/zinc/80/53/70/405805370.db2.gz QFVZHLXCJNGORK-INIZCTEOSA-N 1 3 301.434 2.481 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)c1ccccc1CC[NH2+]C ZINC000423439199 405806891 /nfs/dbraw/zinc/80/68/91/405806891.db2.gz VJEDFAHFVDWLSA-KRWDZBQOSA-N 1 3 317.477 2.443 20 0 DEADHO COC[C@]1(CN[C@H]2C[C@H](C)N(Cc3ccccc3)C2)CCC[NH2+]1 ZINC000423446908 405809043 /nfs/dbraw/zinc/80/90/43/405809043.db2.gz ZITUKDNAHPAUER-YTQUADARSA-N 1 3 317.477 2.008 20 0 DEADHO CC[NH2+]CCCNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000584042904 405812980 /nfs/dbraw/zinc/81/29/80/405812980.db2.gz GJOYEPGSHGXROX-RDJZCZTQSA-N 1 3 320.481 2.285 20 0 DEADHO C[C@@H]([NH2+]CCC1CC(O)C1)c1cccc(OCCN(C)C)c1 ZINC000432424060 405764460 /nfs/dbraw/zinc/76/44/60/405764460.db2.gz MQXAHUGPQZJHLQ-HPUBIQBYSA-N 1 3 306.450 2.439 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])N(C)C)cc1 ZINC000423336433 405765254 /nfs/dbraw/zinc/76/52/54/405765254.db2.gz GWUNHXANECIDJG-HYVNUMGLSA-N 1 3 305.466 2.333 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000494824722 405771496 /nfs/dbraw/zinc/77/14/96/405771496.db2.gz MKYPIPXJGCWWMN-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCC[C@@H](NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000423353995 405773393 /nfs/dbraw/zinc/77/33/93/405773393.db2.gz MNJURLDNVFICKM-CVEARBPZSA-N 1 3 303.450 2.313 20 0 DEADHO CC(C)(C(=O)N[C@H]1CCN(C2CC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000423352871 405773513 /nfs/dbraw/zinc/77/35/13/405773513.db2.gz ANQCEQBUKVSSOU-GOEBONIOSA-N 1 3 301.434 2.066 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000494852150 405775121 /nfs/dbraw/zinc/77/51/21/405775121.db2.gz YPZIEQOZPWOGGG-SJORKVTESA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000494852150 405775122 /nfs/dbraw/zinc/77/51/22/405775122.db2.gz YPZIEQOZPWOGGG-SJORKVTESA-N 1 3 309.498 2.299 20 0 DEADHO C[C@@H](NCCc1nccn1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000560966667 405882678 /nfs/dbraw/zinc/88/26/78/405882678.db2.gz HDZOOKDWEHVWBN-AEFFLSMTSA-N 1 3 312.461 2.452 20 0 DEADHO CC(C)Oc1ccc2nccc(NC[C@](C)(O)C[NH+](C)C)c2c1 ZINC000450408265 405882771 /nfs/dbraw/zinc/88/27/71/405882771.db2.gz SMNJLZZJLPLTII-SFHVURJKSA-N 1 3 317.433 2.168 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)c2ccccc2CN(C)C)CC1 ZINC000433166744 405886026 /nfs/dbraw/zinc/88/60/26/405886026.db2.gz GSAIGXZAHJWNEJ-UHFFFAOYSA-N 1 3 303.450 2.351 20 0 DEADHO [NH3+][C@@H](CC1CCCCC1)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000423650079 405894018 /nfs/dbraw/zinc/89/40/18/405894018.db2.gz JTXKAYUVGACAEK-INIZCTEOSA-N 1 3 317.433 2.405 20 0 DEADHO CCC[C@@H](C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1)OC ZINC000639045454 405841028 /nfs/dbraw/zinc/84/10/28/405841028.db2.gz XFUHVTFDEZGYSB-KRWDZBQOSA-N 1 3 311.514 2.151 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)C[C@H]2CCC[NH2+]CC2)cc1 ZINC000423735131 405936766 /nfs/dbraw/zinc/93/67/66/405936766.db2.gz RPGSTFGFIPTDPC-HNNXBMFYSA-N 1 3 303.450 2.144 20 0 DEADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc(C)ns1 ZINC000639170688 405943945 /nfs/dbraw/zinc/94/39/45/405943945.db2.gz FRTWAZPCRPIZFY-OAHLLOKOSA-N 1 3 310.511 2.299 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000423775525 405958905 /nfs/dbraw/zinc/95/89/05/405958905.db2.gz OZZIKBZZMSUCEM-IUODEOHRSA-N 1 3 311.857 2.447 20 0 DEADHO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1CCCCN1 ZINC000423776438 405959853 /nfs/dbraw/zinc/95/98/53/405959853.db2.gz QLMNKXIMCXUSNZ-KRWDZBQOSA-N 1 3 301.434 2.406 20 0 DEADHO CC[N@H+](CCNC(=O)NC[C@@H]1CCCCN1C1CC1)C(C)C ZINC000433606368 405963127 /nfs/dbraw/zinc/96/31/27/405963127.db2.gz CLCCHPVZOZZEKB-INIZCTEOSA-N 1 3 310.486 2.033 20 0 DEADHO CC[N@@H+](CCNC(=O)NC[C@@H]1CCCCN1C1CC1)C(C)C ZINC000433606368 405963128 /nfs/dbraw/zinc/96/31/28/405963128.db2.gz CLCCHPVZOZZEKB-INIZCTEOSA-N 1 3 310.486 2.033 20 0 DEADHO Cc1nn2c(CNCC[C@H]3CCC[N@@H+](C)C3)c(C)nc2s1 ZINC000459728519 406023069 /nfs/dbraw/zinc/02/30/69/406023069.db2.gz IFOWSQXAAXZULM-CYBMUJFWSA-N 1 3 307.467 2.229 20 0 DEADHO Cc1nn2c(CNCC[C@H]3CCC[N@H+](C)C3)c(C)nc2s1 ZINC000459728519 406023076 /nfs/dbraw/zinc/02/30/76/406023076.db2.gz IFOWSQXAAXZULM-CYBMUJFWSA-N 1 3 307.467 2.229 20 0 DEADHO CO[C@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)C1CC1 ZINC000639311287 406037755 /nfs/dbraw/zinc/03/77/55/406037755.db2.gz KCBVLOQGOFKZMX-GOSISDBHSA-N 1 3 303.450 2.308 20 0 DEADHO C[C@@H](CC(=O)N(C)c1ccccc1)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000531984696 406030992 /nfs/dbraw/zinc/03/09/92/406030992.db2.gz QSQBHVYWOGQXPK-CVEARBPZSA-N 1 3 303.450 2.359 20 0 DEADHO C[C@@H](CC(=O)N(C)c1ccccc1)NCC[N@H+]1CC[C@@H](C)C1 ZINC000531984696 406030998 /nfs/dbraw/zinc/03/09/98/406030998.db2.gz QSQBHVYWOGQXPK-CVEARBPZSA-N 1 3 303.450 2.359 20 0 DEADHO C[C@H](CC(=O)N(C)c1ccccc1)NCC[N@@H+]1CC[C@H](C)C1 ZINC000531984699 406031096 /nfs/dbraw/zinc/03/10/96/406031096.db2.gz QSQBHVYWOGQXPK-JKSUJKDBSA-N 1 3 303.450 2.359 20 0 DEADHO C[C@H](CC(=O)N(C)c1ccccc1)NCC[N@H+]1CC[C@H](C)C1 ZINC000531984699 406031099 /nfs/dbraw/zinc/03/10/99/406031099.db2.gz QSQBHVYWOGQXPK-JKSUJKDBSA-N 1 3 303.450 2.359 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H]1CN1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000450822138 405984083 /nfs/dbraw/zinc/98/40/83/405984083.db2.gz SGISCDUUYIMXQF-SJORKVTESA-N 1 3 311.514 2.026 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H]1CN1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000450822138 405984086 /nfs/dbraw/zinc/98/40/86/405984086.db2.gz SGISCDUUYIMXQF-SJORKVTESA-N 1 3 311.514 2.026 20 0 DEADHO c1nc([C@@H](N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C2CCCCC2)n[nH]1 ZINC000568869931 292373504 /nfs/dbraw/zinc/37/35/04/292373504.db2.gz BZHXXURUAYXAJG-XHSDSOJGSA-N 1 3 303.454 2.404 20 0 DEADHO C[C@@H]1CCCCN1CCC[NH2+]C1CCN(c2cnccn2)CC1 ZINC000532188334 406053155 /nfs/dbraw/zinc/05/31/55/406053155.db2.gz JVRDZVLFQDKNHJ-MRXNPFEDSA-N 1 3 317.481 2.300 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C)N(C)C ZINC000532216699 406055723 /nfs/dbraw/zinc/05/57/23/406055723.db2.gz VIYHXYSBZJSDCL-CABCVRRESA-N 1 3 311.857 2.399 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C)[NH+](C)C ZINC000532216699 406055730 /nfs/dbraw/zinc/05/57/30/406055730.db2.gz VIYHXYSBZJSDCL-CABCVRRESA-N 1 3 311.857 2.399 20 0 DEADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2N[C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000519139084 406181935 /nfs/dbraw/zinc/18/19/35/406181935.db2.gz UTJCCADMNCBVGB-OIVHMFSTSA-N 1 3 315.396 2.139 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000487195370 406214899 /nfs/dbraw/zinc/21/48/99/406214899.db2.gz JTMQPYUKDGIMFC-INIZCTEOSA-N 1 3 303.450 2.351 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000487195370 406214901 /nfs/dbraw/zinc/21/49/01/406214901.db2.gz JTMQPYUKDGIMFC-INIZCTEOSA-N 1 3 303.450 2.351 20 0 DEADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+]C/C=C/c2ccncc2)CC1 ZINC000487264075 406220089 /nfs/dbraw/zinc/22/00/89/406220089.db2.gz GBLPFZHALDXYEC-DUFJLWIISA-N 1 3 315.461 2.452 20 0 DEADHO C[C@@H](C(=O)NC1CCCCC1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639759737 406238576 /nfs/dbraw/zinc/23/85/76/406238576.db2.gz IBCBOQDXXXKVEF-HNNXBMFYSA-N 1 3 307.482 2.242 20 0 DEADHO C[NH+]1CCC2(CCN(CC(=O)NCCC3=CCCCC3)C2)CC1 ZINC000639762969 406241199 /nfs/dbraw/zinc/24/11/99/406241199.db2.gz PAVGKWOMLRCKBP-UHFFFAOYSA-N 1 3 319.493 2.411 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639765092 406242235 /nfs/dbraw/zinc/24/22/35/406242235.db2.gz ZKQIWCCHPIVEPF-IYBDPMFKSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H]1CCC1(C)C)c1ccccc1 ZINC000569017695 292384576 /nfs/dbraw/zinc/38/45/76/292384576.db2.gz UVLRMCQJSLZXBB-HZPDHXFCSA-N 1 3 303.450 2.184 20 0 DEADHO N[C@H]1CCC[C@@H]([NH2+]CC2(CN3CCOCC3)CCCCC2)C1 ZINC000569555278 406268461 /nfs/dbraw/zinc/26/84/61/406268461.db2.gz BCONQRZZZJBLTN-DLBZAZTESA-N 1 3 309.498 2.129 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)N1CCCCC1 ZINC000634762236 406271557 /nfs/dbraw/zinc/27/15/57/406271557.db2.gz SCTWGGFTFVMHMD-CVEARBPZSA-N 1 3 309.498 2.391 20 0 DEADHO CC[NH+](CC)[C@H](C)CNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000487858988 406266388 /nfs/dbraw/zinc/26/63/88/406266388.db2.gz NGZIUWSCNRSYHW-MWDXBVQZSA-N 1 3 324.513 2.088 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCC(C)([NH3+])CC2)cc1 ZINC000637518597 406336924 /nfs/dbraw/zinc/33/69/24/406336924.db2.gz AWJGYGUYPYRMIK-INIZCTEOSA-N 1 3 318.465 2.333 20 0 DEADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(CCN1CCCCCC1)C1CCC1 ZINC000488871038 406356765 /nfs/dbraw/zinc/35/67/65/406356765.db2.gz PCUFFBFVJBKFTC-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCN1CCCCCC1)C1CCC1 ZINC000488871038 406356770 /nfs/dbraw/zinc/35/67/70/406356770.db2.gz PCUFFBFVJBKFTC-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000520578126 406303441 /nfs/dbraw/zinc/30/34/41/406303441.db2.gz VHMPGJWZMCPOAS-PYBGIAKNSA-N 1 3 310.486 2.018 20 0 DEADHO C[C@@H](C[N@@H+]1CC[C@@H](n2cc(CN)nn2)C1)c1cccc(Cl)c1 ZINC000635000009 406394036 /nfs/dbraw/zinc/39/40/36/406394036.db2.gz FGAUBBHZEWUIFH-BLLLJJGKSA-N 1 3 319.840 2.441 20 0 DEADHO C[C@@H](C[N@H+]1CC[C@@H](n2cc(CN)nn2)C1)c1cccc(Cl)c1 ZINC000635000009 406394040 /nfs/dbraw/zinc/39/40/40/406394040.db2.gz FGAUBBHZEWUIFH-BLLLJJGKSA-N 1 3 319.840 2.441 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)N2CCCC2)cc1 ZINC000522146645 406394143 /nfs/dbraw/zinc/39/41/43/406394143.db2.gz QDLHNEPKRKOXMC-ROUUACIJSA-N 1 3 315.461 2.200 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)N2CCCC2)cc1 ZINC000522146645 406394151 /nfs/dbraw/zinc/39/41/51/406394151.db2.gz QDLHNEPKRKOXMC-ROUUACIJSA-N 1 3 315.461 2.200 20 0 DEADHO C[C@H](NCc1nnc(C2CC[NH2+]CC2)[nH]1)C1C(C)(C)C1(C)C ZINC000570563649 406409813 /nfs/dbraw/zinc/40/98/13/406409813.db2.gz NRKMJWMJPZVEMX-NSHDSACASA-N 1 3 305.470 2.432 20 0 DEADHO CN(C)[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)c1ccccc1 ZINC000635095559 406422537 /nfs/dbraw/zinc/42/25/37/406422537.db2.gz HOIIQDTVNUGAAL-QGZVFWFLSA-N 1 3 315.461 2.282 20 0 DEADHO CCO[C@H](CC[NH+](C)C)CNCc1ccc2nccnc2c1 ZINC000634967544 406377089 /nfs/dbraw/zinc/37/70/89/406377089.db2.gz QVJZGZZBIMTMMG-OAHLLOKOSA-N 1 3 302.422 2.076 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)C1(C[NH+](C)C)CC1)c1ccco1 ZINC000640300952 406458084 /nfs/dbraw/zinc/45/80/84/406458084.db2.gz WPDUJORZFPVRAW-UONOGXRCSA-N 1 3 307.438 2.167 20 0 DEADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548716475 406543466 /nfs/dbraw/zinc/54/34/66/406543466.db2.gz ZGNVCIWZGIOXSA-YOEHRIQHSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548716475 406543469 /nfs/dbraw/zinc/54/34/69/406543469.db2.gz ZGNVCIWZGIOXSA-YOEHRIQHSA-N 1 3 307.482 2.240 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000571431281 406520483 /nfs/dbraw/zinc/52/04/83/406520483.db2.gz OUGKZHCPJRNFQW-USXIJHARSA-N 1 3 316.449 2.400 20 0 DEADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000571431281 406520492 /nfs/dbraw/zinc/52/04/92/406520492.db2.gz OUGKZHCPJRNFQW-USXIJHARSA-N 1 3 316.449 2.400 20 0 DEADHO COC(=O)c1cc(CN2CCC(C[N@H+](C)C(C)C)CC2)cn1C ZINC000572046983 406600149 /nfs/dbraw/zinc/60/01/49/406600149.db2.gz URVPABYTEXFGND-UHFFFAOYSA-N 1 3 321.465 2.364 20 0 DEADHO COC(=O)c1cc(CN2CCC(C[N@@H+](C)C(C)C)CC2)cn1C ZINC000572046983 406600154 /nfs/dbraw/zinc/60/01/54/406600154.db2.gz URVPABYTEXFGND-UHFFFAOYSA-N 1 3 321.465 2.364 20 0 DEADHO CN(CC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)CC(C)(C)C ZINC000635614582 406625455 /nfs/dbraw/zinc/62/54/55/406625455.db2.gz ZBMLXRDPWUYSQQ-INIZCTEOSA-N 1 3 309.498 2.299 20 0 DEADHO CO[C@@H](CN1CC[C@@H](C[NH+]2CCCCC2)C1)C1CCOCC1 ZINC000638120055 406580988 /nfs/dbraw/zinc/58/09/88/406580988.db2.gz CBANIRWJFCLEAT-WMZOPIPTSA-N 1 3 310.482 2.236 20 0 DEADHO CO[C@@H](C[N@@H+]1CC[C@@H](CN2CCCCC2)C1)C1CCOCC1 ZINC000638120055 406580989 /nfs/dbraw/zinc/58/09/89/406580989.db2.gz CBANIRWJFCLEAT-WMZOPIPTSA-N 1 3 310.482 2.236 20 0 DEADHO CO[C@@H](C[N@H+]1CC[C@@H](CN2CCCCC2)C1)C1CCOCC1 ZINC000638120055 406580992 /nfs/dbraw/zinc/58/09/92/406580992.db2.gz CBANIRWJFCLEAT-WMZOPIPTSA-N 1 3 310.482 2.236 20 0 DEADHO CC[C@@H](C)N[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccco1 ZINC000571915276 406582386 /nfs/dbraw/zinc/58/23/86/406582386.db2.gz YVXHUXCWERUIDC-YCPHGPKFSA-N 1 3 309.454 2.411 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC000572303101 406641426 /nfs/dbraw/zinc/64/14/26/406641426.db2.gz YWQSKJOLBFHNNH-RHSMWYFYSA-N 1 3 301.434 2.080 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)C1 ZINC000569258899 292401586 /nfs/dbraw/zinc/40/15/86/292401586.db2.gz MTZABORGQNYYJQ-SYQHCUMBSA-N 1 3 306.410 2.027 20 0 DEADHO CSc1ccc([C@@H](CNC(=O)N[C@H](C)CC[NH3+])N(C)C)cc1 ZINC000418230814 286728521 /nfs/dbraw/zinc/72/85/21/286728521.db2.gz JVBGFPJRIYDQBQ-IUODEOHRSA-N 1 3 324.494 2.048 20 0 DEADHO CCN(CC)CCC[N@@H+]1CC[C@H](C(=O)NCc2ccccc2)C1 ZINC000646057682 406761084 /nfs/dbraw/zinc/76/10/84/406761084.db2.gz JSDXMIZEJQBVGY-SFHVURJKSA-N 1 3 317.477 2.357 20 0 DEADHO CCN(CC)CCC[N@H+]1CC[C@H](C(=O)NCc2ccccc2)C1 ZINC000646057682 406761089 /nfs/dbraw/zinc/76/10/89/406761089.db2.gz JSDXMIZEJQBVGY-SFHVURJKSA-N 1 3 317.477 2.357 20 0 DEADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)/C=C\CN(C)C)c1 ZINC000491891243 406765814 /nfs/dbraw/zinc/76/58/14/406765814.db2.gz IVOYWULHFWWOFP-YFHOEESVSA-N 1 3 303.450 2.261 20 0 DEADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)/C=C\CN(C)C)c1 ZINC000491891243 406765820 /nfs/dbraw/zinc/76/58/20/406765820.db2.gz IVOYWULHFWWOFP-YFHOEESVSA-N 1 3 303.450 2.261 20 0 DEADHO CCCN(CCN(C)C)C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000572660390 406714755 /nfs/dbraw/zinc/71/47/55/406714755.db2.gz GEARUFXRVFHNRL-SFHVURJKSA-N 1 3 317.477 2.309 20 0 DEADHO CCCN(CCN(C)C)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000572660390 406714759 /nfs/dbraw/zinc/71/47/59/406714759.db2.gz GEARUFXRVFHNRL-SFHVURJKSA-N 1 3 317.477 2.309 20 0 DEADHO CN(CC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)CC(C)(C)C ZINC000635737171 406716453 /nfs/dbraw/zinc/71/64/53/406716453.db2.gz VIQRWLGHUPBYSZ-MRXNPFEDSA-N 1 3 309.498 2.155 20 0 DEADHO Cn1c(C[NH2+]CCCCN2CCN(C)CC2)cc2ccccc21 ZINC000638359769 406722746 /nfs/dbraw/zinc/72/27/46/406722746.db2.gz MWGOEMUUVIWPJB-UHFFFAOYSA-N 1 3 314.477 2.296 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000646183335 406810546 /nfs/dbraw/zinc/81/05/46/406810546.db2.gz VBNYLENRHCSIBK-YQQAZPJKSA-N 1 3 318.465 2.249 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000646183334 406810787 /nfs/dbraw/zinc/81/07/87/406810787.db2.gz VBNYLENRHCSIBK-UXLLHSPISA-N 1 3 318.465 2.249 20 0 DEADHO CCc1nc(C)c(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)o1 ZINC000641823573 406901724 /nfs/dbraw/zinc/90/17/24/406901724.db2.gz SBZWHVZNGAQZHP-KFWWJZLASA-N 1 3 307.438 2.406 20 0 DEADHO CCc1nc(C)c(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)o1 ZINC000641823576 406901757 /nfs/dbraw/zinc/90/17/57/406901757.db2.gz SBZWHVZNGAQZHP-ZNMIVQPWSA-N 1 3 307.438 2.406 20 0 DEADHO CN1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000647177613 406965765 /nfs/dbraw/zinc/96/57/65/406965765.db2.gz GMTVIVRUQJXBAO-IAGOWNOFSA-N 1 3 313.445 2.004 20 0 DEADHO CN1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000647177613 406965769 /nfs/dbraw/zinc/96/57/69/406965769.db2.gz GMTVIVRUQJXBAO-IAGOWNOFSA-N 1 3 313.445 2.004 20 0 DEADHO Cn1cnc(CCCNC2CC[NH+](C3CCCCC3)CC2)n1 ZINC000647231568 406975631 /nfs/dbraw/zinc/97/56/31/406975631.db2.gz BUBQKXJHWIOZMB-UHFFFAOYSA-N 1 3 305.470 2.134 20 0 DEADHO Cn1cnc(CCC[NH2+]C2CCN(C3CCCCC3)CC2)n1 ZINC000647231568 406975634 /nfs/dbraw/zinc/97/56/34/406975634.db2.gz BUBQKXJHWIOZMB-UHFFFAOYSA-N 1 3 305.470 2.134 20 0 DEADHO C[NH+](C)CCCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000643216663 406962410 /nfs/dbraw/zinc/96/24/10/406962410.db2.gz QYJROTPBOBDIPL-QGZVFWFLSA-N 1 3 318.465 2.074 20 0 DEADHO C[NH2+]CCC1CCN(Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000647509951 407010363 /nfs/dbraw/zinc/01/03/63/407010363.db2.gz IKRMXIKOMVSMPC-UHFFFAOYSA-N 1 3 315.461 2.400 20 0 DEADHO CC(=O)N1CC[C@H](N[C@H]2CCC[C@H]([NH3+])C2)c2ccccc2C1 ZINC000643524041 407010957 /nfs/dbraw/zinc/01/09/57/407010957.db2.gz BQSKGRLNGSMYQP-BQFCYCMXSA-N 1 3 301.434 2.339 20 0 DEADHO COc1ccc2[nH]cc(CC[NH2+][C@@H]3CCOC[C@H]3[C@H](C)N)c2c1 ZINC000643453994 407002286 /nfs/dbraw/zinc/00/22/86/407002286.db2.gz RVZQORJOQSJRLQ-ULFGMLNVSA-N 1 3 317.433 2.061 20 0 DEADHO COc1ccccc1C(C)(C)CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000643457604 407002453 /nfs/dbraw/zinc/00/24/53/407002453.db2.gz PPOCPKXMYXQPNR-SQWLQELKSA-N 1 3 306.450 2.315 20 0 DEADHO COc1ccccc1C(C)(C)C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N ZINC000643457604 407002456 /nfs/dbraw/zinc/00/24/56/407002456.db2.gz PPOCPKXMYXQPNR-SQWLQELKSA-N 1 3 306.450 2.315 20 0 DEADHO C[C@H](NC[C@H]1CCCC[NH2+]1)c1cccc(OCCN(C)C)c1 ZINC000643501732 407008619 /nfs/dbraw/zinc/00/86/19/407008619.db2.gz OVXBIPMSIDOHSC-DOTOQJQBSA-N 1 3 305.466 2.420 20 0 DEADHO C[C@@H]1C[C@H](CCNC(=O)CNC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000644156699 407097447 /nfs/dbraw/zinc/09/74/47/407097447.db2.gz LOALCLWBHUGYAH-WBVHZDCISA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H]1C[C@H](CCNC(=O)CNC2CC2)C[N@H+]1Cc1ccccc1 ZINC000644156699 407097450 /nfs/dbraw/zinc/09/74/50/407097450.db2.gz LOALCLWBHUGYAH-WBVHZDCISA-N 1 3 315.461 2.155 20 0 DEADHO CC[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])C(=O)NCc1cccs1 ZINC000647802820 407053497 /nfs/dbraw/zinc/05/34/97/407053497.db2.gz VAECKSFAZUCLKG-SNPRPXQTSA-N 1 3 309.479 2.250 20 0 DEADHO CC[C@H]1CN(CCC(=O)Nc2cc(F)cc(F)c2)CC[C@H]1[NH3+] ZINC000647936383 407079214 /nfs/dbraw/zinc/07/92/14/407079214.db2.gz CJWWYVIIBAPMJC-XHDPSFHLSA-N 1 3 311.376 2.353 20 0 DEADHO CC[C@H]1CN(CCC(=O)N2CCc3sccc3C2)CC[C@H]1[NH3+] ZINC000647936452 407079688 /nfs/dbraw/zinc/07/96/88/407079688.db2.gz FHKFWLKNZQXZMR-DZGCQCFKSA-N 1 3 321.490 2.082 20 0 DEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)CCC(C)(C)[NH3+])CC1 ZINC000648165596 407130066 /nfs/dbraw/zinc/13/00/66/407130066.db2.gz QJVNXDXYELHSRO-CQSZACIVSA-N 1 3 318.465 2.241 20 0 DEADHO C[C@H]([NH2+]C[C@H](O)CN(C)Cc1ccccc1)C(C)(C)CN(C)C ZINC000644574200 407144878 /nfs/dbraw/zinc/14/48/78/407144878.db2.gz SHSXIXRWWNLBIU-WMZOPIPTSA-N 1 3 321.509 2.045 20 0 DEADHO CC[C@@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)CCO1 ZINC000648461195 407184711 /nfs/dbraw/zinc/18/47/11/407184711.db2.gz WKGUEUXWWKGXIT-QZTJIDSGSA-N 1 3 323.525 2.484 20 0 DEADHO CCCN(C(=O)NCC1CC[NH+](CCC)CC1)[C@H]1CCN(C)C1 ZINC000645233246 407250973 /nfs/dbraw/zinc/25/09/73/407250973.db2.gz KBIGUGFMEWTGAW-KRWDZBQOSA-N 1 3 324.513 2.234 20 0 DEADHO CCCN(C(=O)NCC(C)(C)[NH+]1CCCCC1)[C@H]1CCN(C)C1 ZINC000645117699 407234033 /nfs/dbraw/zinc/23/40/33/407234033.db2.gz MICCHZNQISRVRB-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO CC(C)C[C@@H](N)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000645223921 407249346 /nfs/dbraw/zinc/24/93/46/407249346.db2.gz BXGNGYHSNMCCMH-QGZVFWFLSA-N 1 3 303.450 2.272 20 0 DEADHO CC(C)([NH3+])CC(=O)NCc1ccccc1CN1CCCCC1 ZINC000645226353 407250234 /nfs/dbraw/zinc/25/02/34/407250234.db2.gz RRFAPUVHKIDNMZ-UHFFFAOYSA-N 1 3 303.450 2.416 20 0 DEADHO CC[C@@H](CS(=O)(=O)c1ccccc1)NC1CCC(C[NH3+])CC1 ZINC000423006797 286855132 /nfs/dbraw/zinc/85/51/32/286855132.db2.gz WKRCWEPSPCETKT-PCKAHOCUSA-N 1 3 324.490 2.346 20 0 DEADHO N[C@H]1CCC[C@H]([NH2+]CCCCn2cc(Br)cn2)C1 ZINC000570410950 292482204 /nfs/dbraw/zinc/48/22/04/292482204.db2.gz RULZZTBNAWPALH-STQMWFEESA-N 1 3 315.259 2.285 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000177879911 287010256 /nfs/dbraw/zinc/01/02/56/287010256.db2.gz RZBQQHNVHVJPRZ-IAGOWNOFSA-N 1 3 324.513 2.234 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000177879911 287010257 /nfs/dbraw/zinc/01/02/57/287010257.db2.gz RZBQQHNVHVJPRZ-IAGOWNOFSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000570681408 292499445 /nfs/dbraw/zinc/49/94/45/292499445.db2.gz UFFAAVGHNKUOSJ-HUUCEWRRSA-N 1 3 310.486 2.020 20 0 DEADHO CC1CCC(N2CCN(C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)CC1 ZINC000570817434 292508629 /nfs/dbraw/zinc/50/86/29/292508629.db2.gz WQFHNXYWVQCUGT-JCCCHCCOSA-N 1 3 322.497 2.020 20 0 DEADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CC[C@H](C(N)=O)C2)CC1 ZINC000449746324 287289031 /nfs/dbraw/zinc/28/90/31/287289031.db2.gz RHYHBXVRFKIMFD-WTTBNOFXSA-N 1 3 307.482 2.273 20 0 DEADHO CC[C@@H]1OCC[C@H]1N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423170689 287342830 /nfs/dbraw/zinc/34/28/30/287342830.db2.gz MRWHYFVJLXSHJE-CBZIJGRNSA-N 1 3 302.418 2.399 20 0 DEADHO CC1CCN([C@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2)c2cccs2)CC1 ZINC000572042748 292591137 /nfs/dbraw/zinc/59/11/37/292591137.db2.gz BNBJTSREDWOLJW-QLFBSQMISA-N 1 3 321.490 2.375 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)[C@H](C)O1 ZINC000296608184 226044035 /nfs/dbraw/zinc/04/40/35/226044035.db2.gz YZHBBRAGIDWGPZ-JTDSTZFVSA-N 1 3 317.477 2.090 20 0 DEADHO CC[C@@H](F)CN[C@H](C)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001423142115 1173112864 /nfs/dbraw/zinc/11/28/64/1173112864.db2.gz QJXALCILFQMDTJ-GDBMZVCRSA-N 1 3 315.477 2.291 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H]2CCCc3ccc(O)cc32)CC1 ZINC000291087521 222126430 /nfs/dbraw/zinc/12/64/30/222126430.db2.gz CNRYEGPUSPONTQ-IBGZPJMESA-N 1 3 317.477 2.387 20 0 DEADHO COc1ccc(F)cc1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000291172044 222192457 /nfs/dbraw/zinc/19/24/57/222192457.db2.gz JVIWODALDJGFHE-UHFFFAOYSA-N 1 3 310.413 2.159 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000291354783 222335965 /nfs/dbraw/zinc/33/59/65/222335965.db2.gz YEVFSFVTDLWERA-WBVHZDCISA-N 1 3 320.481 2.317 20 0 DEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000291354783 222335968 /nfs/dbraw/zinc/33/59/68/222335968.db2.gz YEVFSFVTDLWERA-WBVHZDCISA-N 1 3 320.481 2.317 20 0 DEADHO C[C@H](CNC(=O)N[C@@H](C)CCCC[NH3+])N(C)Cc1ccccc1 ZINC000417575905 229053634 /nfs/dbraw/zinc/05/36/34/229053634.db2.gz GOKRHMZLECDWBU-JKSUJKDBSA-N 1 3 320.481 2.324 20 0 DEADHO C[C@H](CC[NH3+])NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000417674788 229066933 /nfs/dbraw/zinc/06/69/33/229066933.db2.gz AYPGSYDWAMMQEV-HUUCEWRRSA-N 1 3 318.465 2.249 20 0 DEADHO C[C@H]([NH3+])CCNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000417731788 229081559 /nfs/dbraw/zinc/08/15/59/229081559.db2.gz GIIDYNGJWWYCME-KCQAQPDRSA-N 1 3 324.494 2.168 20 0 DEADHO C[C@H](NC(=O)N1CCN[C@H](C)[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417996901 229178583 /nfs/dbraw/zinc/17/85/83/229178583.db2.gz QZKBLAKMOCNMAM-QXSJWSMHSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@H](NC(=O)N1CCN[C@H](C)[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000417996901 229178588 /nfs/dbraw/zinc/17/85/88/229178588.db2.gz QZKBLAKMOCNMAM-QXSJWSMHSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@H](NC(=O)N1CCN[C@H](C)[C@@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000418160185 229246201 /nfs/dbraw/zinc/24/62/01/229246201.db2.gz BBCNTNIJNZXZQO-WBTNSWJXSA-N 1 3 318.465 2.070 20 0 DEADHO C[NH+](C)CCC1CCN(C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000418457872 229355446 /nfs/dbraw/zinc/35/54/46/229355446.db2.gz WILVKMPIHWCLDF-KRWDZBQOSA-N 1 3 318.465 2.060 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)NCC1([NH3+])CCC1 ZINC000418505549 229369302 /nfs/dbraw/zinc/36/93/02/229369302.db2.gz DIUDRRZULKNRPF-UHFFFAOYSA-N 1 3 310.486 2.021 20 0 DEADHO CN(C)C(=O)c1cccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000420335188 229662405 /nfs/dbraw/zinc/66/24/05/229662405.db2.gz KHQPHGFKZFGTGU-GOSISDBHSA-N 1 3 315.461 2.352 20 0 DEADHO CON1CCC([NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)CC1 ZINC000421884927 230015154 /nfs/dbraw/zinc/01/51/54/230015154.db2.gz ULZOUPNCHOKUCO-HNNXBMFYSA-N 1 3 321.465 2.303 20 0 DEADHO O=C(CCN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1)N1CCCCC1 ZINC000422698508 230166556 /nfs/dbraw/zinc/16/65/56/230166556.db2.gz ZPDONRUHWCKWTD-MSOLQXFVSA-N 1 3 315.461 2.472 20 0 DEADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCCCOCCc1ccccc1 ZINC000422721478 230176254 /nfs/dbraw/zinc/17/62/54/230176254.db2.gz NZRAYGVFMRKQHI-QXAKKESOSA-N 1 3 320.477 2.368 20 0 DEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC1(C(=O)N(C)C)CCCC1 ZINC000422738032 230184512 /nfs/dbraw/zinc/18/45/12/230184512.db2.gz YHNSPBONRGRNAV-RDJZCZTQSA-N 1 3 317.477 2.183 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCn1ccc2ccccc21 ZINC000422755502 230192349 /nfs/dbraw/zinc/19/23/49/230192349.db2.gz ICRQROFYBYEDMP-BHYGNILZSA-N 1 3 301.434 2.373 20 0 DEADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Oc1ccc(F)cc1 ZINC000422783418 230208109 /nfs/dbraw/zinc/20/81/09/230208109.db2.gz HITMQRNJIUYXJK-XFKAJCMBSA-N 1 3 322.424 2.340 20 0 DEADHO C[C@@H](NC1CCN(C(=O)c2ccoc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422823245 230228044 /nfs/dbraw/zinc/22/80/44/230228044.db2.gz CWWUYHJUCDCHKS-CJNGLKHVSA-N 1 3 305.422 2.004 20 0 DEADHO Cc1cc(F)ccc1CCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422869032 230249769 /nfs/dbraw/zinc/24/97/69/230249769.db2.gz VWUAGJIQWTYMPZ-OKZBNKHCSA-N 1 3 306.425 2.423 20 0 DEADHO COc1cc(OC)c(CC[NH2+][C@H]2CCCC[C@@H]2CN)c(OC)c1 ZINC000422891521 230262859 /nfs/dbraw/zinc/26/28/59/230262859.db2.gz VOIJXLOFXNDRSR-CJNGLKHVSA-N 1 3 322.449 2.362 20 0 DEADHO COc1cc(OC)c(CCN[C@H]2CCCC[C@@H]2C[NH3+])c(OC)c1 ZINC000422891521 230262864 /nfs/dbraw/zinc/26/28/64/230262864.db2.gz VOIJXLOFXNDRSR-CJNGLKHVSA-N 1 3 322.449 2.362 20 0 DEADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000422908770 230271996 /nfs/dbraw/zinc/27/19/96/230271996.db2.gz ZDLVBCFXDOTYRN-ZIAGYGMSSA-N 1 3 320.433 2.179 20 0 DEADHO C[C@@H]([NH3+])C[C@@H](C)NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000422908770 230272001 /nfs/dbraw/zinc/27/20/01/230272001.db2.gz ZDLVBCFXDOTYRN-ZIAGYGMSSA-N 1 3 320.433 2.179 20 0 DEADHO N[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000422941049 230289017 /nfs/dbraw/zinc/28/90/17/230289017.db2.gz HMLZKIPXDIXDEP-IKGGRYGDSA-N 1 3 323.868 2.183 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCOc1ncccc1C(F)(F)F ZINC000422996008 230309727 /nfs/dbraw/zinc/30/97/27/230309727.db2.gz KUGFMFPHHOLKCB-JQWIXIFHSA-N 1 3 303.328 2.196 20 0 DEADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000423047532 230329073 /nfs/dbraw/zinc/32/90/73/230329073.db2.gz GNPMAUYBKIKZHB-CHWSQXEVSA-N 1 3 317.355 2.282 20 0 DEADHO [NH3+]C[C@H]1CCC[C@H]1NCCc1ccc(OCC(F)(F)F)nc1 ZINC000423047532 230329079 /nfs/dbraw/zinc/32/90/79/230329079.db2.gz GNPMAUYBKIKZHB-CHWSQXEVSA-N 1 3 317.355 2.282 20 0 DEADHO Cc1cccnc1C(C)(C)CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423135173 230360251 /nfs/dbraw/zinc/36/02/51/230360251.db2.gz FHSPIIYBRCEZCD-YESZJQIVSA-N 1 3 317.477 2.414 20 0 DEADHO CC[C@H](F)CNC1(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001423296673 1173214552 /nfs/dbraw/zinc/21/45/52/1173214552.db2.gz CQUILDZLKDTJBJ-HNNXBMFYSA-N 1 3 313.461 2.093 20 0 DEADHO C[C@@H]1C[C@H](O)CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000648861987 424919086 /nfs/dbraw/zinc/91/90/86/424919086.db2.gz BXWRSWHMMKQFJH-AEFFLSMTSA-N 1 3 318.461 2.364 20 0 DEADHO N[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCC1 ZINC000399174874 424922272 /nfs/dbraw/zinc/92/22/72/424922272.db2.gz HINOKKJCOFGJOO-FUHWJXTLSA-N 1 3 315.461 2.142 20 0 DEADHO N[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000399174874 424922274 /nfs/dbraw/zinc/92/22/74/424922274.db2.gz HINOKKJCOFGJOO-FUHWJXTLSA-N 1 3 315.461 2.142 20 0 DEADHO c1cn(Cc2ccccc2)nc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401058353 424923374 /nfs/dbraw/zinc/92/33/74/424923374.db2.gz FELPBWXQRSHSPE-KZNAEPCWSA-N 1 3 310.445 2.409 20 0 DEADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000309820126 424894323 /nfs/dbraw/zinc/89/43/23/424894323.db2.gz ZFQRYRVZFMCKPW-YJBOKZPZSA-N 1 3 315.461 2.107 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000649370624 425003056 /nfs/dbraw/zinc/00/30/56/425003056.db2.gz TWSQSFMJNHENDQ-MRXNPFEDSA-N 1 3 301.434 2.153 20 0 DEADHO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H]1NCC1(C)C ZINC000649284950 424983445 /nfs/dbraw/zinc/98/34/45/424983445.db2.gz OEOCEIPPACWGAP-MRXNPFEDSA-N 1 3 319.449 2.344 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCCC[C@@H]1C ZINC000649293038 424986619 /nfs/dbraw/zinc/98/66/19/424986619.db2.gz XRJSNCQMWZCIIX-HDEZJCGLSA-N 1 3 307.482 2.001 20 0 DEADHO COc1ccsc1CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707781 425039082 /nfs/dbraw/zinc/03/90/82/425039082.db2.gz MXYWACOUBFGZNW-GUTXKFCHSA-N 1 3 310.463 2.475 20 0 DEADHO Clc1ccc(CN2CCCN(C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000649411437 425013289 /nfs/dbraw/zinc/01/32/89/425013289.db2.gz XYUUCCBFKXBVRQ-MRXNPFEDSA-N 1 3 307.869 2.457 20 0 DEADHO Cc1csc(N2CCN(CC[C@@H]3CCC[NH2+]C3)C[C@H]2C)n1 ZINC000649412430 425014141 /nfs/dbraw/zinc/01/41/41/425014141.db2.gz KXVQHBASHZGCJV-CABCVRRESA-N 1 3 308.495 2.352 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N(C)CCN1CCCCC1 ZINC000651104011 425102088 /nfs/dbraw/zinc/10/20/88/425102088.db2.gz FFEOCXSYTXGGNJ-INIZCTEOSA-N 1 3 312.502 2.234 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N(C)CCN1CCCCC1 ZINC000651104011 425102092 /nfs/dbraw/zinc/10/20/92/425102092.db2.gz FFEOCXSYTXGGNJ-INIZCTEOSA-N 1 3 312.502 2.234 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000651196703 425115452 /nfs/dbraw/zinc/11/54/52/425115452.db2.gz KBGRTZQFIFXNEP-INIZCTEOSA-N 1 3 312.502 2.088 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000651196703 425115454 /nfs/dbraw/zinc/11/54/54/425115454.db2.gz KBGRTZQFIFXNEP-INIZCTEOSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H](C1CCN(C)CC1)[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000651393552 425133386 /nfs/dbraw/zinc/13/33/86/425133386.db2.gz AJGNZCPMGHWZHO-LSDHHAIUSA-N 1 3 309.498 2.330 20 0 DEADHO C[C@@H](C1CCN(C)CC1)[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000651393552 425133387 /nfs/dbraw/zinc/13/33/87/425133387.db2.gz AJGNZCPMGHWZHO-LSDHHAIUSA-N 1 3 309.498 2.330 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000663482211 425169426 /nfs/dbraw/zinc/16/94/26/425169426.db2.gz QGUVIJXQHQXUDQ-CVEARBPZSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000663482211 425169428 /nfs/dbraw/zinc/16/94/28/425169428.db2.gz QGUVIJXQHQXUDQ-CVEARBPZSA-N 1 3 324.513 2.423 20 0 DEADHO CCN(C(=O)N[C@H](C)C[NH+]1CCC(C)CC1)[C@@H]1CCN(CC)C1 ZINC000666751955 425173348 /nfs/dbraw/zinc/17/33/48/425173348.db2.gz APMSOCCBRHDFPC-IAGOWNOFSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)[C@H]([NH3+])CCNCc1ccc(Cl)cc1-n1cncn1 ZINC000663504434 425174190 /nfs/dbraw/zinc/17/41/90/425174190.db2.gz XFCXRDJQKWEVEM-CQSZACIVSA-N 1 3 307.829 2.384 20 0 DEADHO COc1ccc(NC(=O)C[C@@H](C)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000663503663 425174708 /nfs/dbraw/zinc/17/47/08/425174708.db2.gz RNZDKNZUFLQXED-CZUORRHYSA-N 1 3 307.438 2.375 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000666753832 425175805 /nfs/dbraw/zinc/17/58/05/425175805.db2.gz AXCKJGDFYVIWTC-MRXNPFEDSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000666754639 425175834 /nfs/dbraw/zinc/17/58/34/425175834.db2.gz QIPMYOWCRQMIKB-SJORKVTESA-N 1 3 324.513 2.231 20 0 DEADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000666754639 425175850 /nfs/dbraw/zinc/17/58/50/425175850.db2.gz QIPMYOWCRQMIKB-SJORKVTESA-N 1 3 324.513 2.231 20 0 DEADHO CC[N@@H+]1CC[C@H](N[C@H]2CCCc3c2ccc(=O)n3C)[C@@H](C)C1 ZINC000652074495 425178191 /nfs/dbraw/zinc/17/81/91/425178191.db2.gz LRGLHMKDQQTGKW-BPUTZDHNSA-N 1 3 303.450 2.083 20 0 DEADHO CC[N@H+]1CC[C@H](N[C@H]2CCCc3c2ccc(=O)n3C)[C@@H](C)C1 ZINC000652074495 425178195 /nfs/dbraw/zinc/17/81/95/425178195.db2.gz LRGLHMKDQQTGKW-BPUTZDHNSA-N 1 3 303.450 2.083 20 0 DEADHO Cc1cccc(OC[C@@H](O)C[N@H+]2CCC[C@]3(CCN(C)C3)C2)c1 ZINC000660653971 425195205 /nfs/dbraw/zinc/19/52/05/425195205.db2.gz DXZJHNRDMKYJSO-PKOBYXMFSA-N 1 3 318.461 2.152 20 0 DEADHO Cc1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@]3(CCN(C)C3)C2)c1 ZINC000660653971 425195209 /nfs/dbraw/zinc/19/52/09/425195209.db2.gz DXZJHNRDMKYJSO-PKOBYXMFSA-N 1 3 318.461 2.152 20 0 DEADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652147940 425196849 /nfs/dbraw/zinc/19/68/49/425196849.db2.gz HSHKIKYAORZCKP-OVWQWFNUSA-N 1 3 322.497 2.020 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652147939 425197116 /nfs/dbraw/zinc/19/71/16/425197116.db2.gz HSHKIKYAORZCKP-DFGXFYAUSA-N 1 3 322.497 2.020 20 0 DEADHO CCN(C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@H]1CCN(C)C1 ZINC000663635762 425202241 /nfs/dbraw/zinc/20/22/41/425202241.db2.gz SPFHGUDVMWECOF-ZACQAIPSSA-N 1 3 324.513 2.090 20 0 DEADHO C[NH+](C)CCCC(C)(C)NCc1cnnn1-c1ccccc1 ZINC000651822545 425148712 /nfs/dbraw/zinc/14/87/12/425148712.db2.gz BAZOLGUJWRIMHG-UHFFFAOYSA-N 1 3 301.438 2.477 20 0 DEADHO CN(C)[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000666664532 425155553 /nfs/dbraw/zinc/15/55/53/425155553.db2.gz GVLCQBFWAPWSMA-WBVHZDCISA-N 1 3 322.497 2.129 20 0 DEADHO CN(C)[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000666664532 425155557 /nfs/dbraw/zinc/15/55/57/425155557.db2.gz GVLCQBFWAPWSMA-WBVHZDCISA-N 1 3 322.497 2.129 20 0 DEADHO CCN(C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)[C@H]1CCN(C)C1 ZINC000663787706 425235392 /nfs/dbraw/zinc/23/53/92/425235392.db2.gz KFKRGBJILRGMBB-HOTGVXAUSA-N 1 3 324.513 2.233 20 0 DEADHO CCN(C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)[C@H]1CCN(C)C1 ZINC000663787706 425235395 /nfs/dbraw/zinc/23/53/95/425235395.db2.gz KFKRGBJILRGMBB-HOTGVXAUSA-N 1 3 324.513 2.233 20 0 DEADHO OC[C@@H](CCF)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000652303432 425235658 /nfs/dbraw/zinc/23/56/58/425235658.db2.gz XAVWWUHPTYSKJX-TVFCKZIOSA-N 1 3 306.425 2.492 20 0 DEADHO OC[C@@H](CCF)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000652303432 425235661 /nfs/dbraw/zinc/23/56/61/425235661.db2.gz XAVWWUHPTYSKJX-TVFCKZIOSA-N 1 3 306.425 2.492 20 0 DEADHO CC[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)[C@@H]1CCCCO1 ZINC000653875569 425242546 /nfs/dbraw/zinc/24/25/46/425242546.db2.gz WNYVMOCYEMDUHW-ROUUACIJSA-N 1 3 311.514 2.340 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)NCC[C@H](C)[NH+](C)C)N(C)C)cc1 ZINC000663843973 425249288 /nfs/dbraw/zinc/24/92/88/425249288.db2.gz PQCRLWDHQLPNEO-DOTOQJQBSA-N 1 3 320.481 2.237 20 0 DEADHO [NH3+]CCC1CCN([C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000652359705 425250322 /nfs/dbraw/zinc/25/03/22/425250322.db2.gz QOFUNXJRSQACAP-KRWDZBQOSA-N 1 3 301.434 2.243 20 0 DEADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000653952232 425259760 /nfs/dbraw/zinc/25/97/60/425259760.db2.gz HKQCRRGKQXOSNI-IKGGRYGDSA-N 1 3 322.497 2.034 20 0 DEADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000653952232 425259762 /nfs/dbraw/zinc/25/97/62/425259762.db2.gz HKQCRRGKQXOSNI-IKGGRYGDSA-N 1 3 322.497 2.034 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)NCCC1(C[NH3+])CC1)c1ccco1 ZINC000652191227 425209589 /nfs/dbraw/zinc/20/95/89/425209589.db2.gz ODFBUAILJLPSGS-UONOGXRCSA-N 1 3 322.453 2.137 20 0 DEADHO CCN(CCC[NH2+][C@H]1CCCS(=O)(=O)C1)C1CCCCC1 ZINC000652238242 425221092 /nfs/dbraw/zinc/22/10/92/425221092.db2.gz ZCTQVMINXKCEIE-HNNXBMFYSA-N 1 3 316.511 2.198 20 0 DEADHO CC[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)CO1 ZINC000657389351 425322470 /nfs/dbraw/zinc/32/24/70/425322470.db2.gz KLICUESPKSUJGF-PKOBYXMFSA-N 1 3 318.461 2.300 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654385288 425339378 /nfs/dbraw/zinc/33/93/78/425339378.db2.gz CEMLIXWGBUXQDM-JKSUJKDBSA-N 1 3 322.497 2.129 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000654385288 425339381 /nfs/dbraw/zinc/33/93/81/425339381.db2.gz CEMLIXWGBUXQDM-JKSUJKDBSA-N 1 3 322.497 2.129 20 0 DEADHO CCN(C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)[C@@H]1CCN(CC)C1 ZINC000664003887 425285023 /nfs/dbraw/zinc/28/50/23/425285023.db2.gz UUCSTIIRSJDZEW-DLBZAZTESA-N 1 3 324.513 2.233 20 0 DEADHO CCN(C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)[C@@H]1CCN(CC)C1 ZINC000664003887 425285025 /nfs/dbraw/zinc/28/50/25/425285025.db2.gz UUCSTIIRSJDZEW-DLBZAZTESA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H](CNC(=O)N[C@H]1CCCN2CCCC[C@H]12)C[NH+]1CCCC1 ZINC000654388494 425340194 /nfs/dbraw/zinc/34/01/94/425340194.db2.gz NUURIJMVVHDUND-IXDOHACOSA-N 1 3 322.497 2.034 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)CCN(C)c1ccncc1 ZINC000652523315 425289325 /nfs/dbraw/zinc/28/93/25/425289325.db2.gz MBRVJAWXOIUVLQ-UHFFFAOYSA-N 1 3 306.454 2.002 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)CCN(C)c1ccncc1 ZINC000652523315 425289328 /nfs/dbraw/zinc/28/93/28/425289328.db2.gz MBRVJAWXOIUVLQ-UHFFFAOYSA-N 1 3 306.454 2.002 20 0 DEADHO COCc1csc(C[NH2+]CCCCN2CCN(C)CC2)c1 ZINC000657307842 425300894 /nfs/dbraw/zinc/30/08/94/425300894.db2.gz KRVIYGLYFLQQLJ-UHFFFAOYSA-N 1 3 311.495 2.012 20 0 DEADHO COCCCN1CCC([NH2+]Cc2c(C3CCC3)cnn2C)CC1 ZINC000657343756 425310411 /nfs/dbraw/zinc/31/04/11/425310411.db2.gz UOBSECRVXMUKPM-UHFFFAOYSA-N 1 3 320.481 2.278 20 0 DEADHO Fc1cnccc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657537282 425359197 /nfs/dbraw/zinc/35/91/97/425359197.db2.gz GRIUOCDQJLOHPF-UHFFFAOYSA-N 1 3 307.413 2.201 20 0 DEADHO Cc1ccc([O-])c(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)n1 ZINC000657535301 425358317 /nfs/dbraw/zinc/35/83/17/425358317.db2.gz IXSPDOLQIHAWEN-UHFFFAOYSA-N 1 3 319.449 2.076 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654665939 425409639 /nfs/dbraw/zinc/40/96/39/425409639.db2.gz SCLVMOSXUIRROY-CALCHBBNSA-N 1 3 324.513 2.234 20 0 DEADHO Cc1ccc(NC(=O)[C@H]2CCC[NH2+]CC2)c(OCCN(C)C)c1 ZINC000653120019 425410073 /nfs/dbraw/zinc/41/00/73/425410073.db2.gz CPNQGMQJDUECNC-HNNXBMFYSA-N 1 3 319.449 2.264 20 0 DEADHO OC[C@H]1[C@@H]2CN(Cc3cccc(C[NH+]4CCCCC4)c3)C[C@H]12 ZINC000664566384 425413026 /nfs/dbraw/zinc/41/30/26/425413026.db2.gz RBTZRBRVDFGZDJ-BWTSREIZSA-N 1 3 300.446 2.343 20 0 DEADHO C[C@H](NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12)C(C)(C)C[NH+](C)C ZINC000654482235 425365428 /nfs/dbraw/zinc/36/54/28/425365428.db2.gz DNQGQLGMZXNDOG-XHSDSOJGSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)OC[C@H](C)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000657595376 425370955 /nfs/dbraw/zinc/37/09/55/425370955.db2.gz HIRBOITZYNCEDP-YJBOKZPZSA-N 1 3 306.450 2.156 20 0 DEADHO CC[C@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CO1 ZINC000657613246 425374814 /nfs/dbraw/zinc/37/48/14/425374814.db2.gz JQIRRXKSMPZHOJ-MSOLQXFVSA-N 1 3 303.450 2.451 20 0 DEADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000657969981 425422252 /nfs/dbraw/zinc/42/22/52/425422252.db2.gz XHZVIAFFQCJIAU-ZWKOTPCHSA-N 1 3 316.445 2.054 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000654730189 425426411 /nfs/dbraw/zinc/42/64/11/425426411.db2.gz MPVRSASJZINSPM-IKGGRYGDSA-N 1 3 322.497 2.129 20 0 DEADHO CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654732772 425429351 /nfs/dbraw/zinc/42/93/51/425429351.db2.gz GFGBFBHXRHANLG-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000664648895 425431174 /nfs/dbraw/zinc/43/11/74/425431174.db2.gz MIIRZRKOOZPWGB-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NCC[C@H](C)[NH+]2CCCCC2)C1 ZINC000664648896 425431539 /nfs/dbraw/zinc/43/15/39/425431539.db2.gz MIIRZRKOOZPWGB-JKSUJKDBSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccncc1 ZINC000658139682 425444626 /nfs/dbraw/zinc/44/46/26/425444626.db2.gz RAJKCQULEATOTP-HNAYVOBHSA-N 1 3 311.429 2.499 20 0 DEADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccncc1 ZINC000658139682 425444628 /nfs/dbraw/zinc/44/46/28/425444628.db2.gz RAJKCQULEATOTP-HNAYVOBHSA-N 1 3 311.429 2.499 20 0 DEADHO CN(CCN1CCCCC1)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000653274484 425448371 /nfs/dbraw/zinc/44/83/71/425448371.db2.gz HCFFPBROSCGXJL-KRWDZBQOSA-N 1 3 303.450 2.411 20 0 DEADHO OC1CCC([NH2+]CC2CCN(Cc3ccncc3)CC2)CC1 ZINC000658163920 425450676 /nfs/dbraw/zinc/45/06/76/425450676.db2.gz BYJFZAHTXMSFEZ-UHFFFAOYSA-N 1 3 303.450 2.187 20 0 DEADHO CC[C@@H]1CC[C@@H](C)N(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000661861525 425514631 /nfs/dbraw/zinc/51/46/31/425514631.db2.gz SWFJWQZOZMGJBZ-HUUCEWRRSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H]1C[C@@H]([NH2+][C@@H]2CNCC[C@@H]2c2ccc(F)cc2)CCN1C ZINC000665257754 425531254 /nfs/dbraw/zinc/53/12/54/425531254.db2.gz SYDATMIZNGOOBV-VIBAHUMZSA-N 1 3 305.441 2.344 20 0 DEADHO C[C@@H]([NH3+])C[C@H](C)NC1(CN2CCN(c3ccccc3)CC2)CC1 ZINC000665272586 425534000 /nfs/dbraw/zinc/53/40/00/425534000.db2.gz HXZGLAAEJKQAKQ-SJORKVTESA-N 1 3 316.493 2.057 20 0 DEADHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(COC[C@H]2CCCO2)c1 ZINC000665294212 425538802 /nfs/dbraw/zinc/53/88/02/425538802.db2.gz KJNAMLOIKXZHTA-KURKYZTESA-N 1 3 304.434 2.352 20 0 DEADHO COC[C@H](CCC[NH3+])NCc1cc(-c2ccccc2OC)no1 ZINC000665299573 425538912 /nfs/dbraw/zinc/53/89/12/425538912.db2.gz PLGZWZPLOAWVMT-ZDUSSCGKSA-N 1 3 319.405 2.194 20 0 DEADHO O=C(CN1CCC[C@H](C2CCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000662042474 425553120 /nfs/dbraw/zinc/55/31/20/425553120.db2.gz CZDKXXUAAGSRSI-INIZCTEOSA-N 1 3 319.493 2.242 20 0 DEADHO COc1ccc([C@H](C)C[NH+]2CCC(N3CC[C@H](O)C3)CC2)cc1 ZINC000662146689 425575641 /nfs/dbraw/zinc/57/56/41/425575641.db2.gz AJRFGTUOPXGOSC-QAPCUYQASA-N 1 3 318.461 2.330 20 0 DEADHO [NH3+][C@H]1Cc2ccccc2N(C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000659326452 425578420 /nfs/dbraw/zinc/57/84/20/425578420.db2.gz ZXRQNNSJXWWOGB-RDJZCZTQSA-N 1 3 307.397 2.138 20 0 DEADHO N[C@H](CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccccc1 ZINC000659347958 425583037 /nfs/dbraw/zinc/58/30/37/425583037.db2.gz KNCSMCMFATWXTN-GUDVDZBRSA-N 1 3 323.440 2.338 20 0 DEADHO c1cc([C@H]2CCCN2C[C@H]2CCC3(C[NH2+]C3)O2)cc2c1OCO2 ZINC000662255834 425603425 /nfs/dbraw/zinc/60/34/25/425603425.db2.gz FBHAGJVPNSWWSJ-HUUCEWRRSA-N 1 3 316.401 2.073 20 0 DEADHO c1ccc(C[C@@H]2CCC[N@@H+](C[C@@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662255734 425603856 /nfs/dbraw/zinc/60/38/56/425603856.db2.gz CVINKNPDAAUNOP-ROUUACIJSA-N 1 3 300.446 2.462 20 0 DEADHO c1ccc(C[C@@H]2CCC[N@H+](C[C@@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662255734 425603859 /nfs/dbraw/zinc/60/38/59/425603859.db2.gz CVINKNPDAAUNOP-ROUUACIJSA-N 1 3 300.446 2.462 20 0 DEADHO Fc1cccc(CC[N@H+](C[C@H]2CCC3(CNC3)O2)C2CC2)c1 ZINC000662256273 425604344 /nfs/dbraw/zinc/60/43/44/425604344.db2.gz UTIULQIDVGHREU-QGZVFWFLSA-N 1 3 304.409 2.354 20 0 DEADHO Fc1cccc(CC[N@@H+](C[C@H]2CCC3(CNC3)O2)C2CC2)c1 ZINC000662256273 425604347 /nfs/dbraw/zinc/60/43/47/425604347.db2.gz UTIULQIDVGHREU-QGZVFWFLSA-N 1 3 304.409 2.354 20 0 DEADHO Fc1cccc(CCN(C[C@H]2CCC3(C[NH2+]C3)O2)C2CC2)c1 ZINC000662256273 425604349 /nfs/dbraw/zinc/60/43/49/425604349.db2.gz UTIULQIDVGHREU-QGZVFWFLSA-N 1 3 304.409 2.354 20 0 DEADHO C[NH2+]C[C@@H](C)NC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000659444669 425604743 /nfs/dbraw/zinc/60/47/43/425604743.db2.gz GJKBYRXLXRRMRV-NVXWUHKLSA-N 1 3 318.465 2.039 20 0 DEADHO CN(CC(C)(C)[NH3+])C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000659455643 425607189 /nfs/dbraw/zinc/60/71/89/425607189.db2.gz BKUALJQRHCEZIF-INIZCTEOSA-N 1 3 318.465 2.030 20 0 DEADHO CC(C)(C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)CN1CCCC1 ZINC000655760111 425648145 /nfs/dbraw/zinc/64/81/45/425648145.db2.gz KAWKDJWTSKBAEV-GOSISDBHSA-N 1 3 323.525 2.341 20 0 DEADHO CC(C)[NH2+]CC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000662425709 425649346 /nfs/dbraw/zinc/64/93/46/425649346.db2.gz KVCDXQTUUYWAAQ-UHFFFAOYSA-N 1 3 309.479 2.074 20 0 DEADHO C[C@H](CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)N(C)C1CC1 ZINC000662442385 425650671 /nfs/dbraw/zinc/65/06/71/425650671.db2.gz SDZXZLMCILNVJB-CJNGLKHVSA-N 1 3 315.461 2.278 20 0 DEADHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cccc2c1CNC2 ZINC000662453004 425654722 /nfs/dbraw/zinc/65/47/22/425654722.db2.gz RRPWXRSOMWZCKF-KBPBESRZSA-N 1 3 301.434 2.283 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc3c2CNC3)C1 ZINC000662485252 425663088 /nfs/dbraw/zinc/66/30/88/425663088.db2.gz NRCCVCQFIDFNAX-AWEZNQCLSA-N 1 3 301.434 2.094 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc3c2CNC3)C1 ZINC000662485252 425663091 /nfs/dbraw/zinc/66/30/91/425663091.db2.gz NRCCVCQFIDFNAX-AWEZNQCLSA-N 1 3 301.434 2.094 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000662490283 425663554 /nfs/dbraw/zinc/66/35/54/425663554.db2.gz BKZYALKTWGDDKJ-PVAVHDDUSA-N 1 3 303.450 2.011 20 0 DEADHO O=C(C[C@H]1NCc2ccccc21)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000662519107 425673442 /nfs/dbraw/zinc/67/34/42/425673442.db2.gz XQCQGKMQZHSJDI-MAUKXSAKSA-N 1 3 313.445 2.069 20 0 DEADHO C[C@@]1(c2cccc(F)c2)CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662285819 425614838 /nfs/dbraw/zinc/61/48/38/425614838.db2.gz NLSCQBAXYSENKJ-DLBZAZTESA-N 1 3 304.409 2.310 20 0 DEADHO C[C@H](C(=O)N1CCCCC1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662292493 425615775 /nfs/dbraw/zinc/61/57/75/425615775.db2.gz NFZJBNWBNJYQBS-WBVHZDCISA-N 1 3 307.482 2.099 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000659524616 425620761 /nfs/dbraw/zinc/62/07/61/425620761.db2.gz VAJFHHMXGJRDST-MRXNPFEDSA-N 1 3 310.486 2.082 20 0 DEADHO CN(CC(C)(C)[NH3+])C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000659528550 425621595 /nfs/dbraw/zinc/62/15/95/425621595.db2.gz ULDXLVGWMSYIBG-MRXNPFEDSA-N 1 3 314.433 2.218 20 0 DEADHO FCCCCC[N@@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662337275 425627080 /nfs/dbraw/zinc/62/70/80/425627080.db2.gz KULQAGSUYQKMAO-OAHLLOKOSA-N 1 3 323.460 2.139 20 0 DEADHO FCCCCC[N@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662337275 425627084 /nfs/dbraw/zinc/62/70/84/425627084.db2.gz KULQAGSUYQKMAO-OAHLLOKOSA-N 1 3 323.460 2.139 20 0 DEADHO CCC(CC)[C@H](C[NH2+]C1CCN([C@@H]2CCOC2)CC1)N(C)C ZINC000655687702 425628513 /nfs/dbraw/zinc/62/85/13/425628513.db2.gz WSCFNSVIRRRXBC-MSOLQXFVSA-N 1 3 311.514 2.196 20 0 DEADHO CN(C)CC[C@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)C(C)(C)C ZINC000655715169 425637400 /nfs/dbraw/zinc/63/74/00/425637400.db2.gz IHPPPODWUOANAI-SJORKVTESA-N 1 3 311.514 2.196 20 0 DEADHO C[C@H](C[NH+]1CCCCC1)NC(=O)C[C@H]1NCc2ccccc21 ZINC000662384589 425638158 /nfs/dbraw/zinc/63/81/58/425638158.db2.gz YONDOFNCOOQABO-RHSMWYFYSA-N 1 3 301.434 2.212 20 0 DEADHO CC1CC[NH+](CCNC(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662388417 425638404 /nfs/dbraw/zinc/63/84/04/425638404.db2.gz QDRPBYVMZOIOPV-QGZVFWFLSA-N 1 3 301.434 2.069 20 0 DEADHO C[NH+](C)CCN(C(=O)c1cc2c(s1)CCNC2)C1CCCC1 ZINC000662786694 425735888 /nfs/dbraw/zinc/73/58/88/425735888.db2.gz WLMLWPCJYNUWIU-UHFFFAOYSA-N 1 3 321.490 2.340 20 0 DEADHO [NH3+]C1(CNC(=O)N[C@@H]2CCCN3CCCC[C@H]23)CCCCCC1 ZINC000655961137 425694086 /nfs/dbraw/zinc/69/40/86/425694086.db2.gz IELVPLAWFKWIBG-HZPDHXFCSA-N 1 3 322.497 2.354 20 0 DEADHO CC(C)(C)N1CC[C@H](NC(=O)c2cccn2C2CC[NH2+]CC2)C1 ZINC000662621133 425695707 /nfs/dbraw/zinc/69/57/07/425695707.db2.gz DWLIQQRYCRHAOA-AWEZNQCLSA-N 1 3 318.465 2.015 20 0 DEADHO CC(C)[NH2+]CCC(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000662658930 425704627 /nfs/dbraw/zinc/70/46/27/425704627.db2.gz MRTVFKFXEZHGCM-GOSISDBHSA-N 1 3 317.477 2.150 20 0 DEADHO [NH3+]C1(CC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000662683935 425712880 /nfs/dbraw/zinc/71/28/80/425712880.db2.gz XLWPRWSTQHFMTB-MRXNPFEDSA-N 1 3 301.434 2.211 20 0 DEADHO CC[NH+](CC)CCCCNC(=O)c1cc2c(s1)CCNC2 ZINC000662682610 425712891 /nfs/dbraw/zinc/71/28/91/425712891.db2.gz KPMNGAKCUJCQED-UHFFFAOYSA-N 1 3 309.479 2.246 20 0 DEADHO NC1(C(=O)NC2CC[NH+](CC3CCCC3)CC2)CC2(CCC2)C1 ZINC000662698887 425715475 /nfs/dbraw/zinc/71/54/75/425715475.db2.gz RWONCXFIKIPKAO-UHFFFAOYSA-N 1 3 319.493 2.419 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2[NH2+]CCC2(C)C)C1 ZINC000662696873 425715563 /nfs/dbraw/zinc/71/55/63/425715563.db2.gz XSHWVQVWEYOSDH-HYVNUMGLSA-N 1 3 315.461 2.326 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662836088 425744756 /nfs/dbraw/zinc/74/47/56/425744756.db2.gz VNPMIBVMNRHTOS-BRWVUGGUSA-N 1 3 307.482 2.417 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662836088 425744759 /nfs/dbraw/zinc/74/47/59/425744759.db2.gz VNPMIBVMNRHTOS-BRWVUGGUSA-N 1 3 307.482 2.417 20 0 DEADHO CC(C)(C)N1CC[C@H]1CNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000660248153 425776160 /nfs/dbraw/zinc/77/61/60/425776160.db2.gz FFMKDAQVBHGDIT-HNNXBMFYSA-N 1 3 324.513 2.423 20 0 DEADHO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc2c1CNC2 ZINC000663005896 425777562 /nfs/dbraw/zinc/77/75/62/425777562.db2.gz ZQFCXDCSDKAUNF-HNNXBMFYSA-N 1 3 313.445 2.142 20 0 DEADHO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc2c1CNC2 ZINC000663005896 425777566 /nfs/dbraw/zinc/77/75/66/425777566.db2.gz ZQFCXDCSDKAUNF-HNNXBMFYSA-N 1 3 313.445 2.142 20 0 DEADHO CC1(C)CN(C(=O)CN)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000663019054 425779739 /nfs/dbraw/zinc/77/97/39/425779739.db2.gz GKFZAXCMMBSWRC-GOSISDBHSA-N 1 3 315.461 2.094 20 0 DEADHO CCCN1CC[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000660283145 425782990 /nfs/dbraw/zinc/78/29/90/425782990.db2.gz MEJMVHFZPWSPMG-ZDUSSCGKSA-N 1 3 310.486 2.079 20 0 DEADHO CO[C@@H](CN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1CCCC1 ZINC000660140996 425750536 /nfs/dbraw/zinc/75/05/36/425750536.db2.gz QGHAKPITWDIINS-OALUTQOASA-N 1 3 323.525 2.292 20 0 DEADHO CO[C@@H](CN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)C1CCCC1 ZINC000660140996 425750539 /nfs/dbraw/zinc/75/05/39/425750539.db2.gz QGHAKPITWDIINS-OALUTQOASA-N 1 3 323.525 2.292 20 0 DEADHO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C2(N)CCCC2)C1 ZINC000662873061 425753222 /nfs/dbraw/zinc/75/32/22/425753222.db2.gz UKARELKPJFRGPT-QGZVFWFLSA-N 1 3 315.461 2.033 20 0 DEADHO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C2(N)CCCC2)C1 ZINC000662873061 425753223 /nfs/dbraw/zinc/75/32/23/425753223.db2.gz UKARELKPJFRGPT-QGZVFWFLSA-N 1 3 315.461 2.033 20 0 DEADHO C[C@H]1CN(CCN2CCC(CCC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000660158588 425755666 /nfs/dbraw/zinc/75/56/66/425755666.db2.gz NISCQNBLQWFXQT-IRXDYDNUSA-N 1 3 311.514 2.149 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+][C@H]2CCC[C@H](CO)C2)cc1 ZINC000666480217 425761835 /nfs/dbraw/zinc/76/18/35/425761835.db2.gz QHIHCRLHHLHHAV-IRXDYDNUSA-N 1 3 306.450 2.268 20 0 DEADHO COc1cc2nccc(N(C)[C@@H](C[NH3+])C3CC3)c2cc1OC ZINC000663240377 425820358 /nfs/dbraw/zinc/82/03/58/425820358.db2.gz BKNNRMSMMBCUQH-HNNXBMFYSA-N 1 3 301.390 2.426 20 0 DEADHO C[C@@H]1CCC[N@H+](CCNCCC(=O)N(C)c2ccccc2)C1 ZINC000663283917 425824993 /nfs/dbraw/zinc/82/49/93/425824993.db2.gz OQPPIRDJJBWHGF-MRXNPFEDSA-N 1 3 303.450 2.361 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCNCCC(=O)N(C)c2ccccc2)C1 ZINC000663283917 425824996 /nfs/dbraw/zinc/82/49/96/425824996.db2.gz OQPPIRDJJBWHGF-MRXNPFEDSA-N 1 3 303.450 2.361 20 0 DEADHO CCc1cc(NCCC[NH+]2CCC(O)CC2)c2ccccc2n1 ZINC000663403145 425835858 /nfs/dbraw/zinc/83/58/58/425835858.db2.gz STYTZXZKYCNIQF-UHFFFAOYSA-N 1 3 313.445 2.478 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000295757754 268805065 /nfs/dbraw/zinc/80/50/65/268805065.db2.gz QASRLYYCKBEONL-HUUCEWRRSA-N 1 3 318.465 2.111 20 0 DEADHO CC(C)C[C@@H](CN(C)C)NC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000372563292 269089995 /nfs/dbraw/zinc/08/99/95/269089995.db2.gz XUYSUNDJPNJZOR-HNNXBMFYSA-N 1 3 320.481 2.119 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)N(C)Cc1ccccc1 ZINC000390715008 269098254 /nfs/dbraw/zinc/09/82/54/269098254.db2.gz KHPTYLOFEYAKOP-INMHGKMJSA-N 1 3 303.450 2.011 20 0 DEADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](N[C@H]3CCC[NH2+]C3)C[C@@H]2C1 ZINC000401135948 269111839 /nfs/dbraw/zinc/11/18/39/269111839.db2.gz SRILWPCWAWEIDD-FZKCQIBNSA-N 1 3 323.481 2.364 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000423143460 269115466 /nfs/dbraw/zinc/11/54/66/269115466.db2.gz DDXGKZXANNLWGM-YVEFUNNKSA-N 1 3 317.408 2.242 20 0 DEADHO COCCOCc1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423143232 269115714 /nfs/dbraw/zinc/11/57/14/269115714.db2.gz WOKAZRXTLRQHGA-QZTJIDSGSA-N 1 3 306.450 2.457 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C2CCN(C3CC3)CC2)C[C@@H]1C ZINC000426787971 269120639 /nfs/dbraw/zinc/12/06/39/269120639.db2.gz JEYREBBKWOJIPR-YOEHRIQHSA-N 1 3 307.482 2.192 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)C2CCN(C3CC3)CC2)C[C@@H]1C ZINC000426787971 269120640 /nfs/dbraw/zinc/12/06/40/269120640.db2.gz JEYREBBKWOJIPR-YOEHRIQHSA-N 1 3 307.482 2.192 20 0 DEADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)CNC1CC1 ZINC000517238829 269380788 /nfs/dbraw/zinc/38/07/88/269380788.db2.gz HRCQURAZQKWUAM-GJZGRUSLSA-N 1 3 315.461 2.011 20 0 DEADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000279777185 274078320 /nfs/dbraw/zinc/07/83/20/274078320.db2.gz SVUAKSHGUXPCEU-HKUYNNGSSA-N 1 3 319.493 2.380 20 0 DEADHO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)CN1CCCC1)CCC2 ZINC000268824317 274136172 /nfs/dbraw/zinc/13/61/72/274136172.db2.gz ISGYPNUJJROENH-CRAIPNDOSA-N 1 3 304.434 2.119 20 0 DEADHO CC(C)(CO)CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423158585 275861499 /nfs/dbraw/zinc/86/14/99/275861499.db2.gz OGBGDOKADLQHDT-CRAIPNDOSA-N 1 3 304.434 2.241 20 0 DEADHO CCN(CC)CC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266541342 276092929 /nfs/dbraw/zinc/09/29/29/276092929.db2.gz PHFDVCSJHLRNSO-SFHVURJKSA-N 1 3 317.477 2.309 20 0 DEADHO CCN(CC)CC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266541342 276092930 /nfs/dbraw/zinc/09/29/30/276092930.db2.gz PHFDVCSJHLRNSO-SFHVURJKSA-N 1 3 317.477 2.309 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccccc2N(C)C)CC1 ZINC000093942321 276195130 /nfs/dbraw/zinc/19/51/30/276195130.db2.gz RVYUGUNIEWMFOX-KRWDZBQOSA-N 1 3 318.509 2.431 20 0 DEADHO CC(C)[C@@H](C[NH3+])C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000236675770 277737260 /nfs/dbraw/zinc/73/72/60/277737260.db2.gz XARGGYGJWQAKLM-SJORKVTESA-N 1 3 303.450 2.171 20 0 DEADHO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CCN(C2CCCCC2)CC1 ZINC000423716968 278126370 /nfs/dbraw/zinc/12/63/70/278126370.db2.gz YUCAVLCBZKJZGT-SJLPKXTDSA-N 1 3 307.482 2.371 20 0 DEADHO C[C@H](C(=O)NCCN(C)Cc1ccccc1)[NH+]1CCCCCC1 ZINC000357815435 278151571 /nfs/dbraw/zinc/15/15/71/278151571.db2.gz XVLZRKCSZBFLHY-QGZVFWFLSA-N 1 3 317.477 2.499 20 0 DEADHO C[C@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1=CCN(C)CC1 ZINC000358396196 278249814 /nfs/dbraw/zinc/24/98/14/278249814.db2.gz KQFAYKJWMUGGAQ-RDJZCZTQSA-N 1 3 319.493 2.408 20 0 DEADHO C[C@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1=CCN(C)CC1 ZINC000358396196 278249816 /nfs/dbraw/zinc/24/98/16/278249816.db2.gz KQFAYKJWMUGGAQ-RDJZCZTQSA-N 1 3 319.493 2.408 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000348636358 279270648 /nfs/dbraw/zinc/27/06/48/279270648.db2.gz ANUDLJQXKGPWJI-SJORKVTESA-N 1 3 322.497 2.131 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000351904841 279279739 /nfs/dbraw/zinc/27/97/39/279279739.db2.gz QBZBGZPPGYUUFO-WBVHZDCISA-N 1 3 324.513 2.233 20 0 DEADHO CC[NH2+][C@H](C)CNC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000418179850 279514897 /nfs/dbraw/zinc/51/48/97/279514897.db2.gz JXRIIFHAMAUVFW-INMHGKMJSA-N 1 3 320.481 2.283 20 0 DEADHO CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N(C)C ZINC000178318643 280079179 /nfs/dbraw/zinc/07/91/79/280079179.db2.gz FUNYOCOCPFLFAS-KRWDZBQOSA-N 1 3 303.450 2.239 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)N(C)C ZINC000359248160 280148374 /nfs/dbraw/zinc/14/83/74/280148374.db2.gz GXOJRSOINVWURN-VVLHAWIVSA-N 1 3 309.498 2.436 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)N(C)C ZINC000359248160 280148377 /nfs/dbraw/zinc/14/83/77/280148377.db2.gz GXOJRSOINVWURN-VVLHAWIVSA-N 1 3 309.498 2.436 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)N1CCCCC1 ZINC000361713646 280157797 /nfs/dbraw/zinc/15/77/97/280157797.db2.gz ZPUIQKMPAZNTOW-KZNAEPCWSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)N1CCCCC1 ZINC000361713646 280157798 /nfs/dbraw/zinc/15/77/98/280157798.db2.gz ZPUIQKMPAZNTOW-KZNAEPCWSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000417709922 280250721 /nfs/dbraw/zinc/25/07/21/280250721.db2.gz WXIPPBKZQLCBNJ-OAGGEKHMSA-N 1 3 310.486 2.020 20 0 DEADHO CC(C)[C@](C)(O)CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422982026 280527523 /nfs/dbraw/zinc/52/75/23/280527523.db2.gz VESPDGQPKFZVKA-JQHSSLGASA-N 1 3 304.434 2.239 20 0 DEADHO CCN1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000133763520 282023927 /nfs/dbraw/zinc/02/39/27/282023927.db2.gz KKWYJHRLYXETBN-QGZVFWFLSA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000133763520 282023928 /nfs/dbraw/zinc/02/39/28/282023928.db2.gz KKWYJHRLYXETBN-QGZVFWFLSA-N 1 3 324.513 2.280 20 0 DEADHO CN(CC[NH+](C)C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000176152953 289128306 /nfs/dbraw/zinc/12/83/06/289128306.db2.gz JGOYRMQDWIPXGF-AWEZNQCLSA-N 1 3 324.494 2.088 20 0 DEADHO C[C@H](C1CC1)N(C(=O)CN1CCC([C@H]2CCC[NH2+]2)CC1)C1CC1 ZINC000420333551 289396229 /nfs/dbraw/zinc/39/62/29/289396229.db2.gz HRRAJBLOEXCILK-RDTXWAMCSA-N 1 3 319.493 2.240 20 0 DEADHO C[C@H]1CCCCN1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000246058916 290382383 /nfs/dbraw/zinc/38/23/83/290382383.db2.gz DPJIKQNPYMIOOT-DOTOQJQBSA-N 1 3 303.450 2.280 20 0 DEADHO NC[C@@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000238017408 295241587 /nfs/dbraw/zinc/24/15/87/295241587.db2.gz BTBIQJGWWZUZBH-SJLPKXTDSA-N 1 3 315.461 2.063 20 0 DEADHO COc1ccc2c(c1)[C@@H](NCCN1CC[NH2+]CC1)CCCS2 ZINC000423208299 295271405 /nfs/dbraw/zinc/27/14/05/295271405.db2.gz SSIPEFXVIXKQHB-INIZCTEOSA-N 1 3 321.490 2.117 20 0 DEADHO C[C@H](C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)N1[C@H](C)CC[C@@H]1C ZINC000413634346 298035865 /nfs/dbraw/zinc/03/58/65/298035865.db2.gz XDWQUWPOJYCARX-ZHCJQAHYSA-N 1 3 307.482 2.190 20 0 DEADHO C[C@H](C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)N1[C@H](C)CC[C@@H]1C ZINC000413634346 298035868 /nfs/dbraw/zinc/03/58/68/298035868.db2.gz XDWQUWPOJYCARX-ZHCJQAHYSA-N 1 3 307.482 2.190 20 0 DEADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C1CCN(C2CC2)CC1 ZINC000362826391 298268015 /nfs/dbraw/zinc/26/80/15/298268015.db2.gz NMXBFAGQJSYQDX-CQSZACIVSA-N 1 3 307.482 2.050 20 0 DEADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCC1([NH3+])CCCCC1 ZINC000418307017 298269183 /nfs/dbraw/zinc/26/91/83/298269183.db2.gz AAFTUCSRJIKNRF-CQSZACIVSA-N 1 3 310.486 2.020 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)CC[C@@H](C)[NH3+])N2CCCC2)cc1 ZINC000193305705 301714616 /nfs/dbraw/zinc/71/46/16/301714616.db2.gz ZQQLNRNMORCKMD-NVXWUHKLSA-N 1 3 303.450 2.376 20 0 DEADHO [NH3+]Cc1ccc(C(=O)N2CCC[C@@H]2CN2CCCCC2)cc1 ZINC000165688433 303431159 /nfs/dbraw/zinc/43/11/59/303431159.db2.gz IYTVZZKBBFKLRH-QGZVFWFLSA-N 1 3 301.434 2.236 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](NCCc2ccc(OCC(F)(F)F)nc2)C1 ZINC000573267043 326039568 /nfs/dbraw/zinc/03/95/68/326039568.db2.gz XZXDAKGPEGCIED-OLZOCXBDSA-N 1 3 317.355 2.425 20 0 DEADHO N[C@@H]1CCC[C@H]([NH2+]CCc2ccc(OCC(F)(F)F)nc2)C1 ZINC000573267043 326039570 /nfs/dbraw/zinc/03/95/70/326039570.db2.gz XZXDAKGPEGCIED-OLZOCXBDSA-N 1 3 317.355 2.425 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCC3CC3)CC2)CC1 ZINC000577293503 326356074 /nfs/dbraw/zinc/35/60/74/326356074.db2.gz JVILFLBHBNXJAB-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CCc1ccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000580049358 332915637 /nfs/dbraw/zinc/91/56/37/332915637.db2.gz LAQWDQYBHNUJGV-CYBMUJFWSA-N 1 3 321.412 2.236 20 0 DEADHO CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000584271812 332179457 /nfs/dbraw/zinc/17/94/57/332179457.db2.gz ABOVETNUGWUJTR-OAHLLOKOSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000582656021 337121539 /nfs/dbraw/zinc/12/15/39/337121539.db2.gz IEMDWGZLYFTKJE-LSDHHAIUSA-N 1 3 310.486 2.020 20 0 DEADHO CCc1noc(-c2ccc(CCN[C@H]3CCC[C@@H]3[NH3+])cc2)n1 ZINC000582839685 337207527 /nfs/dbraw/zinc/20/75/27/337207527.db2.gz IBPMSVIBYYOPHN-GJZGRUSLSA-N 1 3 300.406 2.311 20 0 DEADHO Cc1cccc(C(=O)NCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000583018706 337225475 /nfs/dbraw/zinc/22/54/75/337225475.db2.gz FJFUUMJTARYKRP-KSZLIROESA-N 1 3 315.461 2.235 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CCCC[NH3+] ZINC000398178713 337308111 /nfs/dbraw/zinc/30/81/11/337308111.db2.gz WINOQXAMYXEUSG-NVXWUHKLSA-N 1 3 303.450 2.142 20 0 DEADHO CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)NCc1ccns1 ZINC001378245502 1152249507 /nfs/dbraw/zinc/24/95/07/1152249507.db2.gz JRYNFPLILPNIEK-UKRRQHHQSA-N 1 3 324.494 2.000 20 0 DEADHO CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)NCc1ccns1 ZINC001378245502 1152249513 /nfs/dbraw/zinc/24/95/13/1152249513.db2.gz JRYNFPLILPNIEK-UKRRQHHQSA-N 1 3 324.494 2.000 20 0 DEADHO CC(C)N(C)CC(=O)NC1(C[NH2+]CC[C@H](C)F)CCCCC1 ZINC001329860114 1149004392 /nfs/dbraw/zinc/00/43/92/1149004392.db2.gz BVBGOMNWXYZFMM-HNNXBMFYSA-N 1 3 315.477 2.483 20 0 DEADHO Cc1cc(C[NH2+][C@@H](C)CNC(=O)CN(C)C2CCC2)c(C)s1 ZINC001398937584 1161158754 /nfs/dbraw/zinc/15/87/54/1161158754.db2.gz CGYLBXZRJSOORF-LBPRGKRZSA-N 1 3 323.506 2.444 20 0 DEADHO CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H]1C ZINC001089060722 782141306 /nfs/dbraw/zinc/14/13/06/782141306.db2.gz DCVZMNMPFMNYFM-PBHICJAKSA-N 1 3 303.450 2.351 20 0 DEADHO CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H]1C ZINC001089060722 782141314 /nfs/dbraw/zinc/14/13/14/782141314.db2.gz DCVZMNMPFMNYFM-PBHICJAKSA-N 1 3 303.450 2.351 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000417622752 533784620 /nfs/dbraw/zinc/78/46/20/533784620.db2.gz IRJHFCDIKSLKQB-GOEBONIOSA-N 1 3 318.465 2.167 20 0 DEADHO COc1ccc(C[C@H](C)CN[C@H]2C[NH2+]CC[C@H]2C)cc1OC ZINC000423027935 533791482 /nfs/dbraw/zinc/79/14/82/533791482.db2.gz RYPXZXCXLGWYBR-LZWOXQAQSA-N 1 3 306.450 2.470 20 0 DEADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)NC[C@@H](N)c1ccccc1 ZINC000418037277 533822798 /nfs/dbraw/zinc/82/27/98/533822798.db2.gz GIQUXXQWIDAYFP-DOTOQJQBSA-N 1 3 318.465 2.250 20 0 DEADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCC1CCCC1 ZINC001400850552 1161834270 /nfs/dbraw/zinc/83/42/70/1161834270.db2.gz IRNLECOVHAIXKO-DOTOQJQBSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@H](CCC[NH3+])Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000422982805 533875106 /nfs/dbraw/zinc/87/51/06/533875106.db2.gz RLIZGHFMUPRBGO-OAHLLOKOSA-N 1 3 305.466 2.430 20 0 DEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000423136420 534072447 /nfs/dbraw/zinc/07/24/47/534072447.db2.gz ZALNZXIGCCQGDS-DGCLKSJQSA-N 1 3 315.259 2.013 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000422891509 534074237 /nfs/dbraw/zinc/07/42/37/534074237.db2.gz VMYMJWVVXFFLNI-DJIMGWMZSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@H]1C[C@@H](C[NH3+])CN1CCCc1nc(-c2ccccc2)no1 ZINC000442770580 534081409 /nfs/dbraw/zinc/08/14/09/534081409.db2.gz YEKWTMBQIZBDAG-KBPBESRZSA-N 1 3 300.406 2.338 20 0 DEADHO Cc1cc(C[NH+](C)C)cc(N[C@H](C2CC2)[C@@H]2CNCCO2)c1 ZINC000423028152 534168784 /nfs/dbraw/zinc/16/87/84/534168784.db2.gz QFWOPHMKQPAGRR-ZWKOTPCHSA-N 1 3 303.450 2.236 20 0 DEADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H](N)C(C)(C)C)C2)CC1 ZINC000236709655 517525785 /nfs/dbraw/zinc/52/57/85/517525785.db2.gz CRTVQGZIEGSVGV-JKSUJKDBSA-N 1 3 309.498 2.330 20 0 DEADHO CC(C)N1CCN(CCC[NH+]2CCC(C(F)F)CC2)CC1 ZINC000337251270 519681347 /nfs/dbraw/zinc/68/13/47/519681347.db2.gz NPEMXHRFTLOHGN-UHFFFAOYSA-N 1 3 303.441 2.380 20 0 DEADHO CC[NH+](CC)CC1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000336874604 520586588 /nfs/dbraw/zinc/58/65/88/520586588.db2.gz XCXUGNUCZWNONY-SFHVURJKSA-N 1 3 320.477 2.480 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC(N(C)C/C=C/Cl)CC1)[NH+](C)C ZINC001378905224 1152485711 /nfs/dbraw/zinc/48/57/11/1152485711.db2.gz PJLNVKXPOMLGPK-RZIFZGNASA-N 1 3 315.889 2.248 20 0 DEADHO CCN1CCC(NC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000339519880 521574866 /nfs/dbraw/zinc/57/48/66/521574866.db2.gz VOGJHVGQIOFBFI-CRAIPNDOSA-N 1 3 324.513 2.280 20 0 DEADHO NC[C@@H](NC(=O)CC[C@H]1CCC[NH2+]1)c1ccc2ccccc2c1 ZINC000294917416 534662574 /nfs/dbraw/zinc/66/25/74/534662574.db2.gz FJSDJOILEFXPHE-QZTJIDSGSA-N 1 3 311.429 2.488 20 0 DEADHO NC[C@@H](NC(=O)[C@H]1CC12CC[NH2+]CC2)c1ccc2ccccc2c1 ZINC000295042109 534674231 /nfs/dbraw/zinc/67/42/31/534674231.db2.gz OWCWHINGMALRAG-QZTJIDSGSA-N 1 3 323.440 2.346 20 0 DEADHO C[NH+](C)C1(CNC(=O)NCCN2CCCCC2)CCCCCC1 ZINC000339341810 524036267 /nfs/dbraw/zinc/03/62/67/524036267.db2.gz COIHQQJNVBSTSG-UHFFFAOYSA-N 1 3 324.513 2.426 20 0 DEADHO C[C@@H](C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)[C@H](C)[NH3+] ZINC000248958662 524088066 /nfs/dbraw/zinc/08/80/66/524088066.db2.gz BWKTYQLCGYRHRA-VYDXJSESSA-N 1 3 303.450 2.093 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCN1CCC[C@@H](C)C1 ZINC000338292264 524617412 /nfs/dbraw/zinc/61/74/12/524617412.db2.gz RTLPAJFZNQYYMG-IKGGRYGDSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCN1CCC[C@@H](C)C1 ZINC000338292264 524617421 /nfs/dbraw/zinc/61/74/21/524617421.db2.gz RTLPAJFZNQYYMG-IKGGRYGDSA-N 1 3 324.513 2.138 20 0 DEADHO Cc1nc(C)c(CN2CCC(C[NH+]3CCN(C)CC3)CC2)s1 ZINC000336854495 526717015 /nfs/dbraw/zinc/71/70/15/526717015.db2.gz FCLXIFRXORDRND-UHFFFAOYSA-N 1 3 322.522 2.219 20 0 DEADHO CC(C)(C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)[C@@H](N)c1ccccc1 ZINC000331369585 527507061 /nfs/dbraw/zinc/50/70/61/527507061.db2.gz BEQCZBKQOXWERJ-LPHOPBHVSA-N 1 3 315.461 2.315 20 0 DEADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418371592 527940546 /nfs/dbraw/zinc/94/05/46/527940546.db2.gz XVEHDSARFLWOKK-INIZCTEOSA-N 1 3 312.502 2.123 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422251499 528078891 /nfs/dbraw/zinc/07/88/91/528078891.db2.gz ABINUSVDBQWIIM-UHFFFAOYSA-N 1 3 324.513 2.377 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000418346152 528083576 /nfs/dbraw/zinc/08/35/76/528083576.db2.gz POFIKQMZLBRTDR-SJORKVTESA-N 1 3 324.513 2.282 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418376061 528085195 /nfs/dbraw/zinc/08/51/95/528085195.db2.gz FPXSCQWIOBFWCT-INIZCTEOSA-N 1 3 310.486 2.036 20 0 DEADHO CCN(CCC[NH+](CC)CC)C(=O)NC[C@H](N)c1ccccc1 ZINC000418435017 528102882 /nfs/dbraw/zinc/10/28/82/528102882.db2.gz WEFMGOOEEPXFCL-KRWDZBQOSA-N 1 3 320.481 2.450 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000417322418 528133794 /nfs/dbraw/zinc/13/37/94/528133794.db2.gz VTYSPBJFRRQKLQ-YOEHRIQHSA-N 1 3 320.481 2.449 20 0 DEADHO CCOC(=O)c1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)[nH]c1C ZINC000296593056 528169312 /nfs/dbraw/zinc/16/93/12/528169312.db2.gz XTPWMORBKWHICF-ZDUSSCGKSA-N 1 3 305.422 2.074 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000448286200 528229620 /nfs/dbraw/zinc/22/96/20/528229620.db2.gz VBMBRMUHVJAZEE-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000448286200 528229624 /nfs/dbraw/zinc/22/96/24/528229624.db2.gz VBMBRMUHVJAZEE-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N(C)[C@@H](C)C[NH3+] ZINC000418032548 528438004 /nfs/dbraw/zinc/43/80/04/528438004.db2.gz MCPCCKFTIUVBJA-DOTOQJQBSA-N 1 3 320.481 2.132 20 0 DEADHO CCN(CCC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N)c1ccccc1 ZINC000422782993 528460364 /nfs/dbraw/zinc/46/03/64/528460364.db2.gz KJXGKJYUXOUQOV-BPQIPLTHSA-N 1 3 305.466 2.245 20 0 DEADHO CCN(CCCN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])c1ccccc1 ZINC000422782993 528460368 /nfs/dbraw/zinc/46/03/68/528460368.db2.gz KJXGKJYUXOUQOV-BPQIPLTHSA-N 1 3 305.466 2.245 20 0 DEADHO CCC[NH2+]CCNC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000417705301 528491605 /nfs/dbraw/zinc/49/16/05/528491605.db2.gz NTEGLSLCVJZDOT-HNNXBMFYSA-N 1 3 320.481 2.415 20 0 DEADHO CCN(CCN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])c1ccccc1C ZINC000422888051 528515868 /nfs/dbraw/zinc/51/58/68/528515868.db2.gz ZWXJJNVWSLDICE-IXDOHACOSA-N 1 3 305.466 2.163 20 0 DEADHO CCCCNC(=O)c1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422948058 528551168 /nfs/dbraw/zinc/55/11/68/528551168.db2.gz ZIHRORCGFATULR-DLBZAZTESA-N 1 3 303.450 2.434 20 0 DEADHO CC(C)[C@H](CN[C@H](C)C[C@H]1COCCN1)[NH+]1CCCCCC1 ZINC000422964875 529015464 /nfs/dbraw/zinc/01/54/64/529015464.db2.gz MXOZKWXMOHUADE-SQNIBIBYSA-N 1 3 311.514 2.244 20 0 DEADHO CC(C)[C@H](C[NH2+][C@H](C)C[C@H]1COCCN1)N1CCCCCC1 ZINC000422964875 529015468 /nfs/dbraw/zinc/01/54/68/529015468.db2.gz MXOZKWXMOHUADE-SQNIBIBYSA-N 1 3 311.514 2.244 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccsc1 ZINC000299578822 529098764 /nfs/dbraw/zinc/09/87/64/529098764.db2.gz AXYANGKIADGEQF-INIZCTEOSA-N 1 3 323.506 2.165 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccsc1 ZINC000299578822 529098768 /nfs/dbraw/zinc/09/87/68/529098768.db2.gz AXYANGKIADGEQF-INIZCTEOSA-N 1 3 323.506 2.165 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)/C=C/c1ccco1 ZINC000299731350 529099139 /nfs/dbraw/zinc/09/91/39/529099139.db2.gz YLYJZVRONAACIV-SCOAYWHSSA-N 1 3 319.449 2.167 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)/C=C/c1ccco1 ZINC000299731350 529099143 /nfs/dbraw/zinc/09/91/43/529099143.db2.gz YLYJZVRONAACIV-SCOAYWHSSA-N 1 3 319.449 2.167 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)NC1CCC([NH3+])CC1)c1ccco1 ZINC000418167245 529181902 /nfs/dbraw/zinc/18/19/02/529181902.db2.gz MGDQYHXWEOMZBL-PPWQZUPISA-N 1 3 322.453 2.278 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000417696021 529273523 /nfs/dbraw/zinc/27/35/23/529273523.db2.gz GKDGODFARQMEKO-XHSDSOJGSA-N 1 3 310.486 2.068 20 0 DEADHO CCCN1CCN(c2ccccc2C[N@H+](CC)C[C@@H](C)O)CC1 ZINC000348744641 534934792 /nfs/dbraw/zinc/93/47/92/534934792.db2.gz ZTYNBLLRFYFWAD-QGZVFWFLSA-N 1 3 319.493 2.421 20 0 DEADHO CCCN1CCN(c2ccccc2C[N@@H+](CC)C[C@@H](C)O)CC1 ZINC000348744641 534934796 /nfs/dbraw/zinc/93/47/96/534934796.db2.gz ZTYNBLLRFYFWAD-QGZVFWFLSA-N 1 3 319.493 2.421 20 0 DEADHO CC[NH+]1CCC(N(C)CCc2ccc3c(c2)OCCO3)CC1 ZINC000360017295 535457125 /nfs/dbraw/zinc/45/71/25/535457125.db2.gz QLNBEWAWYWOXQF-UHFFFAOYSA-N 1 3 304.434 2.416 20 0 DEADHO CN(C)Cc1cccc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000355857847 536022721 /nfs/dbraw/zinc/02/27/21/536022721.db2.gz UNBVLWQRYXYYRS-INIZCTEOSA-N 1 3 303.450 2.162 20 0 DEADHO CN(C)Cc1cccc(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000355857847 536022726 /nfs/dbraw/zinc/02/27/26/536022726.db2.gz UNBVLWQRYXYYRS-INIZCTEOSA-N 1 3 303.450 2.162 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000449205828 536024051 /nfs/dbraw/zinc/02/40/51/536024051.db2.gz OEXHUABZZRNELH-ROUUACIJSA-N 1 3 315.461 2.210 20 0 DEADHO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc2c(c1)CNC2 ZINC000261914385 536048187 /nfs/dbraw/zinc/04/81/87/536048187.db2.gz QOWXEBVUQYRTIV-UHFFFAOYSA-N 1 3 309.413 2.281 20 0 DEADHO CN(CCC1CC[NH2+]CC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000359212819 536323476 /nfs/dbraw/zinc/32/34/76/536323476.db2.gz NNLXWXNDKIGJLN-QGZVFWFLSA-N 1 3 301.434 2.113 20 0 DEADHO CNC(=O)c1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cc1 ZINC000374328523 536422652 /nfs/dbraw/zinc/42/26/52/536422652.db2.gz ZWEABAAFHTWMQA-UHFFFAOYSA-N 1 3 301.434 2.106 20 0 DEADHO CNC(=O)c1ccc(C[N@H+]2CCCC23CCN(C)CC3)cc1 ZINC000374328523 536422654 /nfs/dbraw/zinc/42/26/54/536422654.db2.gz ZWEABAAFHTWMQA-UHFFFAOYSA-N 1 3 301.434 2.106 20 0 DEADHO CNC(=O)c1ccc(CN2CCCC23CC[NH+](C)CC3)cc1 ZINC000374328523 536422656 /nfs/dbraw/zinc/42/26/56/536422656.db2.gz ZWEABAAFHTWMQA-UHFFFAOYSA-N 1 3 301.434 2.106 20 0 DEADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368351668 536480423 /nfs/dbraw/zinc/48/04/23/536480423.db2.gz JLBNNXNLZZHEQP-PIIMJCKOSA-N 1 3 302.462 2.315 20 0 DEADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368351668 536480426 /nfs/dbraw/zinc/48/04/26/536480426.db2.gz JLBNNXNLZZHEQP-PIIMJCKOSA-N 1 3 302.462 2.315 20 0 DEADHO CC(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCN1C(C)C ZINC001379014849 1152531823 /nfs/dbraw/zinc/53/18/23/1152531823.db2.gz OCBWPGWRLNKCAR-DLBZAZTESA-N 1 3 309.498 2.342 20 0 DEADHO CN(CCN(C)C(=O)CC[NH+](C)C)Cc1ccccc1C1CC1 ZINC001379096899 1152566128 /nfs/dbraw/zinc/56/61/28/1152566128.db2.gz QZFQDUQJMJEUDE-UHFFFAOYSA-N 1 3 317.477 2.406 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]Cc1cc(C)cc(C)c1 ZINC001379452147 1152626674 /nfs/dbraw/zinc/62/66/74/1152626674.db2.gz YBNUTNHDAJMUTH-MRXNPFEDSA-N 1 3 305.466 2.240 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)cc2)[C@H]1C ZINC001379561415 1152643377 /nfs/dbraw/zinc/64/33/77/1152643377.db2.gz APXQRKMVFKIVAY-RHSMWYFYSA-N 1 3 321.440 2.247 20 0 DEADHO CCC[NH+]1CCC(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736479302 598285825 /nfs/dbraw/zinc/28/58/25/598285825.db2.gz IALANWDEUZRCFX-UHFFFAOYSA-N 1 3 314.437 2.078 20 0 DEADHO CCC[NH+]1CCC(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736479302 598285826 /nfs/dbraw/zinc/28/58/26/598285826.db2.gz IALANWDEUZRCFX-UHFFFAOYSA-N 1 3 314.437 2.078 20 0 DEADHO CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736531230 599567549 /nfs/dbraw/zinc/56/75/49/599567549.db2.gz UWZKBOHHDVOLTR-AWEZNQCLSA-N 1 3 316.453 2.467 20 0 DEADHO CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736531230 599567552 /nfs/dbraw/zinc/56/75/52/599567552.db2.gz UWZKBOHHDVOLTR-AWEZNQCLSA-N 1 3 316.453 2.467 20 0 DEADHO Cc1cc(C[NH2+]C2(CNC(=O)CN(C)C(C)C)CC2)cs1 ZINC001380169249 1152761539 /nfs/dbraw/zinc/76/15/39/1152761539.db2.gz GQAIXPVGGKFPRF-UHFFFAOYSA-N 1 3 309.479 2.135 20 0 DEADHO CN(CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CC1)CC(C)(C)C ZINC001381291621 1152989630 /nfs/dbraw/zinc/98/96/30/1152989630.db2.gz BPCKHJXVRLHRLO-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CN(CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC1)CC(C)(C)C ZINC001381291621 1152989634 /nfs/dbraw/zinc/98/96/34/1152989634.db2.gz BPCKHJXVRLHRLO-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccsc1 ZINC001382125504 1153368122 /nfs/dbraw/zinc/36/81/22/1153368122.db2.gz PZSYSLIPVPLKOI-KGLIPLIRSA-N 1 3 309.479 2.026 20 0 DEADHO C[C@@H](F)CCN1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001008166300 625368026 /nfs/dbraw/zinc/36/80/26/625368026.db2.gz ZPHBLPMCHFJWLL-HUUCEWRRSA-N 1 3 313.461 2.190 20 0 DEADHO CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]21 ZINC001026424970 625449144 /nfs/dbraw/zinc/44/91/44/625449144.db2.gz ALPBWBZKZHYYJG-CGTJXYLNSA-N 1 3 315.461 2.208 20 0 DEADHO C[C@@H](C(=O)NC1CCC([NH2+]CCF)CC1)N1CCCCCC1 ZINC001026571676 625531140 /nfs/dbraw/zinc/53/11/40/625531140.db2.gz HBZSBWOCIPMKMF-FHERZECASA-N 1 3 313.461 2.237 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCC2CC2)C1 ZINC000969649758 622863898 /nfs/dbraw/zinc/86/38/98/622863898.db2.gz PREABCYBJLWAOK-YOEHRIQHSA-N 1 3 307.482 2.096 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCC2)C1 ZINC000969792092 622923041 /nfs/dbraw/zinc/92/30/41/622923041.db2.gz HDEAXERXABJWBT-PBHICJAKSA-N 1 3 307.482 2.097 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCC2CC2)C1 ZINC000969794033 622923868 /nfs/dbraw/zinc/92/38/68/622923868.db2.gz ULQSITKTSNNAKX-PBHICJAKSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@@H]2C[C@@H]([NH2+]CC3CCC(C)CC3)C2)C1 ZINC001020588799 622926816 /nfs/dbraw/zinc/92/68/16/622926816.db2.gz MXANRUKSCQESCH-CAGXLSFWSA-N 1 3 321.509 2.391 20 0 DEADHO Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC000969844777 622948837 /nfs/dbraw/zinc/94/88/37/622948837.db2.gz OLJJSYFFNOUCSY-QZTJIDSGSA-N 1 3 317.477 2.272 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC000969955668 623022131 /nfs/dbraw/zinc/02/21/31/623022131.db2.gz RGPHLESRBIAMPI-FUHWJXTLSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CC3CCCCC3)C2)C1 ZINC000969956473 623022862 /nfs/dbraw/zinc/02/28/62/623022862.db2.gz WXSJLIRPEQRFPH-DOTOQJQBSA-N 1 3 307.482 2.099 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC001020980430 623235830 /nfs/dbraw/zinc/23/58/30/623235830.db2.gz IAGOIBNGHMXCFX-WKILWMFISA-N 1 3 312.417 2.006 20 0 DEADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccncc1CO ZINC000892820660 625634848 /nfs/dbraw/zinc/63/48/48/625634848.db2.gz RDTARLJMQODUEU-QAPCUYQASA-N 1 3 311.429 2.318 20 0 DEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccncc1CO ZINC000892820660 625634851 /nfs/dbraw/zinc/63/48/51/625634851.db2.gz RDTARLJMQODUEU-QAPCUYQASA-N 1 3 311.429 2.318 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H](C[NH2+]CC2CCC2)C1 ZINC001024155970 625640931 /nfs/dbraw/zinc/64/09/31/625640931.db2.gz GAMWZIPDFSIIQZ-NVXWUHKLSA-N 1 3 307.482 2.099 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]Cc3ccsc3)C2)CC1 ZINC000970336283 623404987 /nfs/dbraw/zinc/40/49/87/623404987.db2.gz ATGOBSKFCILCGQ-MRXNPFEDSA-N 1 3 321.490 2.171 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CCC3CCCC3)C2)CC1 ZINC000970337830 623405913 /nfs/dbraw/zinc/40/59/13/623405913.db2.gz XOVHYXHWCIBRBW-GOSISDBHSA-N 1 3 321.509 2.489 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H](C)F ZINC001021447972 623635328 /nfs/dbraw/zinc/63/53/28/623635328.db2.gz HFTBECJATBVNRV-JZIBPQBNSA-N 1 3 322.428 2.120 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H](C)F ZINC001021447972 623635332 /nfs/dbraw/zinc/63/53/32/623635332.db2.gz HFTBECJATBVNRV-JZIBPQBNSA-N 1 3 322.428 2.120 20 0 DEADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000970719044 623640257 /nfs/dbraw/zinc/64/02/57/623640257.db2.gz ZFWIMDOMHQYYTC-MRXNPFEDSA-N 1 3 321.852 2.126 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021604887 623820210 /nfs/dbraw/zinc/82/02/10/623820210.db2.gz IDISTAPAWVZIJR-NVXWUHKLSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021604887 623820216 /nfs/dbraw/zinc/82/02/16/623820216.db2.gz IDISTAPAWVZIJR-NVXWUHKLSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)([NH3+])CCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000891321804 624001357 /nfs/dbraw/zinc/00/13/57/624001357.db2.gz CRPDHLQHZPCNEN-CYBMUJFWSA-N 1 3 324.494 2.312 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCC(C)(C)[NH3+])C1 ZINC000891411227 624153903 /nfs/dbraw/zinc/15/39/03/624153903.db2.gz DOXOYNZBYZYGGB-GOEBONIOSA-N 1 3 318.465 2.249 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCC(C)(C)[NH3+])C1 ZINC000891411226 624153968 /nfs/dbraw/zinc/15/39/68/624153968.db2.gz DOXOYNZBYZYGGB-GDBMZVCRSA-N 1 3 318.465 2.249 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC2=CCCCC2)C1)N(C)C ZINC000971784609 624547212 /nfs/dbraw/zinc/54/72/12/624547212.db2.gz LEQQCRJVLSXYEO-IAGOWNOFSA-N 1 3 307.482 2.360 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2=CCCCC2)C1)N(C)C ZINC000971784609 624547214 /nfs/dbraw/zinc/54/72/14/624547214.db2.gz LEQQCRJVLSXYEO-IAGOWNOFSA-N 1 3 307.482 2.360 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000290870654 624591106 /nfs/dbraw/zinc/59/11/06/624591106.db2.gz SLSPIDOLDZELEW-JZXOWHBKSA-N 1 3 317.477 2.353 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000290870654 624591108 /nfs/dbraw/zinc/59/11/08/624591108.db2.gz SLSPIDOLDZELEW-JZXOWHBKSA-N 1 3 317.477 2.353 20 0 DEADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3)C2)C1 ZINC001022717498 624870391 /nfs/dbraw/zinc/87/03/91/624870391.db2.gz ZDNOMZFDRQZDCK-CALCHBBNSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2ccccc2Cl)CC[N@@H+]1C ZINC000226874177 624931325 /nfs/dbraw/zinc/93/13/25/624931325.db2.gz FWPIMUSVRBUJBV-HZSPNIEDSA-N 1 3 312.841 2.152 20 0 DEADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2ccccc2Cl)CC[N@H+]1C ZINC000226874177 624931327 /nfs/dbraw/zinc/93/13/27/624931327.db2.gz FWPIMUSVRBUJBV-HZSPNIEDSA-N 1 3 312.841 2.152 20 0 DEADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2ccccc2Cl)CC[N@@H+]1C ZINC000226874193 624931507 /nfs/dbraw/zinc/93/15/07/624931507.db2.gz FWPIMUSVRBUJBV-MGPQQGTHSA-N 1 3 312.841 2.152 20 0 DEADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2ccccc2Cl)CC[N@H+]1C ZINC000226874193 624931511 /nfs/dbraw/zinc/93/15/11/624931511.db2.gz FWPIMUSVRBUJBV-MGPQQGTHSA-N 1 3 312.841 2.152 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC2CC(C)(C)C2)C1)N(C)C ZINC000972353447 624938523 /nfs/dbraw/zinc/93/85/23/624938523.db2.gz GRTSBCUCURADNQ-CVEARBPZSA-N 1 3 309.498 2.296 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C1)N(C)C ZINC000972353447 624938524 /nfs/dbraw/zinc/93/85/24/624938524.db2.gz GRTSBCUCURADNQ-CVEARBPZSA-N 1 3 309.498 2.296 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001023024988 625138656 /nfs/dbraw/zinc/13/86/56/625138656.db2.gz PLYINPATCYGWKZ-IYBDPMFKSA-N 1 3 318.465 2.468 20 0 DEADHO C[C@@H]1CN(C(C)(C)CN[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C[C@@H](C)O1 ZINC000925518369 625171266 /nfs/dbraw/zinc/17/12/66/625171266.db2.gz YDGHTEQBQZCNOZ-MTSZKFMLSA-N 1 3 323.525 2.240 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001023364955 625239364 /nfs/dbraw/zinc/23/93/64/625239364.db2.gz STZZEMPGORKNSI-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001023364955 625239366 /nfs/dbraw/zinc/23/93/66/625239366.db2.gz STZZEMPGORKNSI-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)[C@@H](CNC1[C@@H]2CC[C@H]1C[N@@H+](C)C2)c1cccc(F)c1 ZINC000924533599 625834138 /nfs/dbraw/zinc/83/41/38/625834138.db2.gz YWIVIAXRJYMAHV-HZSIZEEPSA-N 1 3 305.441 2.358 20 0 DEADHO CN(C)[C@@H](CNC1[C@@H]2CC[C@H]1C[N@H+](C)C2)c1cccc(F)c1 ZINC000924533599 625834141 /nfs/dbraw/zinc/83/41/41/625834141.db2.gz YWIVIAXRJYMAHV-HZSIZEEPSA-N 1 3 305.441 2.358 20 0 DEADHO C[C@H]1[C@H](C)OC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000926695918 625964409 /nfs/dbraw/zinc/96/44/09/625964409.db2.gz ZLQGAUFQVYBWDM-RLFYNMQTSA-N 1 3 303.450 2.307 20 0 DEADHO CC(C)(C(=O)N1CCC[C@H]([NH2+]CC2CC2)C1)N1CCCCC1 ZINC000999152165 634499855 /nfs/dbraw/zinc/49/98/55/634499855.db2.gz JESJDYDIXOKZBZ-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC([NH2+]CC2CCC2)C1 ZINC000999407728 634586234 /nfs/dbraw/zinc/58/62/34/634586234.db2.gz FFNKKQNDDYQKHT-UHFFFAOYSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CC2CCCCC2)C1)N(C)C ZINC000999489248 634618381 /nfs/dbraw/zinc/61/83/81/634618381.db2.gz JISCYUPSRKZNKD-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]CC2CC(C)(C)C2)C1 ZINC000999834102 634692556 /nfs/dbraw/zinc/69/25/56/634692556.db2.gz REINHTDYYMQHGT-UHFFFAOYSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]Cc3ccsc3)C2)C1 ZINC001000203075 634788751 /nfs/dbraw/zinc/78/87/51/634788751.db2.gz VFKAFWKOGMLNMA-ZBFHGGJFSA-N 1 3 321.490 2.171 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C)cc2)C1)N(C)C ZINC001000228392 634802935 /nfs/dbraw/zinc/80/29/35/634802935.db2.gz SQKCOVUJAUWIHS-ROUUACIJSA-N 1 3 317.477 2.416 20 0 DEADHO OC[C@H]1CCC[N@@H+]1CCCCNCc1nccc2c1CCCC2 ZINC000921721009 634809305 /nfs/dbraw/zinc/80/93/05/634809305.db2.gz OTBMEOOWSAVIAX-QGZVFWFLSA-N 1 3 317.477 2.287 20 0 DEADHO OC[C@H]1CCC[N@H+]1CCCCNCc1nccc2c1CCCC2 ZINC000921721009 634809308 /nfs/dbraw/zinc/80/93/08/634809308.db2.gz OTBMEOOWSAVIAX-QGZVFWFLSA-N 1 3 317.477 2.287 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](NCCF)C(C)(C)C1 ZINC000995913826 633142265 /nfs/dbraw/zinc/14/22/65/633142265.db2.gz BTXQDNKFGAXLDS-HUUCEWRRSA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](NCCF)C(C)(C)C1 ZINC000995913826 633142269 /nfs/dbraw/zinc/14/22/69/633142269.db2.gz BTXQDNKFGAXLDS-HUUCEWRRSA-N 1 3 313.461 2.045 20 0 DEADHO CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCN2CC(C)C)C(C)(C)C1 ZINC000974756415 633292032 /nfs/dbraw/zinc/29/20/32/633292032.db2.gz BYRFJZLFJSGOKS-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCCN2CC(C)C)C(C)(C)C1 ZINC000974756415 633292036 /nfs/dbraw/zinc/29/20/36/633292036.db2.gz BYRFJZLFJSGOKS-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CC[NH2+][C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC1(C)C ZINC000996667275 633339531 /nfs/dbraw/zinc/33/95/31/633339531.db2.gz WBXOSWDHNCPBMZ-INIZCTEOSA-N 1 3 303.450 2.208 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC([NH2+]CCC2CCCC2)CC1)C1CC1 ZINC000996676803 633346753 /nfs/dbraw/zinc/34/67/53/633346753.db2.gz IHHMOWBORUSWSJ-SFHVURJKSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2ccccc2)CC1)N(C)C ZINC000996711038 633364811 /nfs/dbraw/zinc/36/48/11/633364811.db2.gz INWAXIDYECGQBL-QGZVFWFLSA-N 1 3 303.450 2.107 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001027068666 633383931 /nfs/dbraw/zinc/38/39/31/633383931.db2.gz AMNULHMRTVYDTL-RDJZCZTQSA-N 1 3 321.440 2.104 20 0 DEADHO CC(C)[NH2+]C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001027233997 633506006 /nfs/dbraw/zinc/50/60/06/633506006.db2.gz NSSPRUADFWDFOI-MRXNPFEDSA-N 1 3 303.450 2.208 20 0 DEADHO CN(C)CC[NH+]1CCC(NCc2nc(C(C)(C)C)co2)CC1 ZINC000921521928 633582385 /nfs/dbraw/zinc/58/23/85/633582385.db2.gz ONGHTWVUOCCLBM-UHFFFAOYSA-N 1 3 308.470 2.088 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@@H]([N@H+](C)CCC3CC3)C2)CCC1 ZINC001027439484 633787562 /nfs/dbraw/zinc/78/75/62/633787562.db2.gz LRSGSWVATLIVRO-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@@H]([N@@H+](C)CCC3CC3)C2)CCC1 ZINC001027439484 633787571 /nfs/dbraw/zinc/78/75/71/633787571.db2.gz LRSGSWVATLIVRO-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO CC1CC(C[N@H+](C)[C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001027441348 633791670 /nfs/dbraw/zinc/79/16/70/633791670.db2.gz DYRACEIGBBXJGE-HTWSVDAQSA-N 1 3 321.509 2.440 20 0 DEADHO CC1CC(C[N@@H+](C)[C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001027441348 633791672 /nfs/dbraw/zinc/79/16/72/633791672.db2.gz DYRACEIGBBXJGE-HTWSVDAQSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CCC2)C1)N(C)C ZINC001027451668 633808508 /nfs/dbraw/zinc/80/85/08/633808508.db2.gz FVFDCAKAUXEYAZ-IRXDYDNUSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CCC2)C1)N(C)C ZINC001027451668 633808513 /nfs/dbraw/zinc/80/85/13/633808513.db2.gz FVFDCAKAUXEYAZ-IRXDYDNUSA-N 1 3 309.498 2.296 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC(C[NH2+]CC2CCC2)CC1 ZINC000998083007 634135107 /nfs/dbraw/zinc/13/51/07/634135107.db2.gz SNSCYJYSLZDZTH-HNNXBMFYSA-N 1 3 307.482 2.099 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC(C)C)C[C@@H]2C1 ZINC000980233042 634908619 /nfs/dbraw/zinc/90/86/19/634908619.db2.gz RTKMUPPUXKSADG-HRCADAONSA-N 1 3 318.465 2.133 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC(C)C)C[C@@H]2C1 ZINC000980233042 634908621 /nfs/dbraw/zinc/90/86/21/634908621.db2.gz RTKMUPPUXKSADG-HRCADAONSA-N 1 3 318.465 2.133 20 0 DEADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC000980406841 634988714 /nfs/dbraw/zinc/98/87/14/634988714.db2.gz SNOSUZGPBVMMJN-GOSISDBHSA-N 1 3 315.461 2.124 20 0 DEADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC000980406841 634988716 /nfs/dbraw/zinc/98/87/16/634988716.db2.gz SNOSUZGPBVMMJN-GOSISDBHSA-N 1 3 315.461 2.124 20 0 DEADHO C[C@H]1C[C@H](C[NH2+]CC2CCCC2)CN1C(=O)CN1CCCC1 ZINC000980802381 635159602 /nfs/dbraw/zinc/15/96/02/635159602.db2.gz YOJWWOHAZZWPAW-DOTOQJQBSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)=CCN1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001000708580 635283055 /nfs/dbraw/zinc/28/30/55/635283055.db2.gz OUBNHHDPSJPEGY-GOSISDBHSA-N 1 3 317.477 2.043 20 0 DEADHO CC(C)CC[N@@H+]1CCCN(C(=O)[C@H]2CCCN2C(C)C)CC1 ZINC000981146796 635331007 /nfs/dbraw/zinc/33/10/07/635331007.db2.gz CUHCZTBNCWQVHC-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CC[N@H+]1CCCN(C(=O)[C@H]2CCCN2C(C)C)CC1 ZINC000981146796 635331010 /nfs/dbraw/zinc/33/10/10/635331010.db2.gz CUHCZTBNCWQVHC-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@H]([NH2+]CC2CC2)C1 ZINC001000991086 635383269 /nfs/dbraw/zinc/38/32/69/635383269.db2.gz FVBXNTUGEVXREL-KRWDZBQOSA-N 1 3 315.461 2.352 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)NCC2CCN(Cc3ccsc3)CC2)C1 ZINC001002122310 635624499 /nfs/dbraw/zinc/62/44/99/635624499.db2.gz BZKUALLMOZEFDQ-MRXNPFEDSA-N 1 3 321.490 2.028 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)NCC2CCN(Cc3ccsc3)CC2)C1 ZINC001002122310 635624501 /nfs/dbraw/zinc/62/45/01/635624501.db2.gz BZKUALLMOZEFDQ-MRXNPFEDSA-N 1 3 321.490 2.028 20 0 DEADHO CN(C)[C@H](C(=O)N1CC2(C1)CCC[N@H+](CC1CCC1)C2)C1CC1 ZINC000981812154 635666930 /nfs/dbraw/zinc/66/69/30/635666930.db2.gz HTXINRBOHVLJAD-KRWDZBQOSA-N 1 3 319.493 2.051 20 0 DEADHO CN(C)[C@H](C(=O)N1CC2(C1)CCC[N@@H+](CC1CCC1)C2)C1CC1 ZINC000981812154 635666934 /nfs/dbraw/zinc/66/69/34/635666934.db2.gz HTXINRBOHVLJAD-KRWDZBQOSA-N 1 3 319.493 2.051 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC000981812264 635666989 /nfs/dbraw/zinc/66/69/89/635666989.db2.gz LXDDDGDKXAYVGV-WBVHZDCISA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC000981812264 635666991 /nfs/dbraw/zinc/66/69/91/635666991.db2.gz LXDDDGDKXAYVGV-WBVHZDCISA-N 1 3 321.509 2.297 20 0 DEADHO [NH3+][C@@H]1C[C@H](N[C@H]2CCCN3CCSC[C@H]23)c2ccccc21 ZINC000925824534 635704208 /nfs/dbraw/zinc/70/42/08/635704208.db2.gz ADEBALPWLDEOIO-LTIDMASMSA-N 1 3 303.475 2.301 20 0 DEADHO C[C@@H]1Cc2cc(C[NH2+]CCN3CCN(C)C(C)(C)C3)ccc2O1 ZINC000922097914 635862451 /nfs/dbraw/zinc/86/24/51/635862451.db2.gz DKRDBHMIOSERAF-OAHLLOKOSA-N 1 3 317.477 2.126 20 0 DEADHO CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)C3CCC3)C[C@@]2(C)C1 ZINC000982297522 635954160 /nfs/dbraw/zinc/95/41/60/635954160.db2.gz KZOITTPHGRCLIB-HDICACEKSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)C3CCC3)C[C@@]2(C)C1 ZINC000982297522 635954161 /nfs/dbraw/zinc/95/41/61/635954161.db2.gz KZOITTPHGRCLIB-HDICACEKSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cccc(O)c3)C2)[C@@H]1C(C)C ZINC000922391520 636154132 /nfs/dbraw/zinc/15/41/32/636154132.db2.gz FFCUUBUFBASFJL-YRXWBPOGSA-N 1 3 318.461 2.352 20 0 DEADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cccc(O)c3)C2)[C@@H]1C(C)C ZINC000922391520 636154135 /nfs/dbraw/zinc/15/41/35/636154135.db2.gz FFCUUBUFBASFJL-YRXWBPOGSA-N 1 3 318.461 2.352 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3scnc3C)C2)[C@@H]1C(C)C ZINC000922396084 636157726 /nfs/dbraw/zinc/15/77/26/636157726.db2.gz ZYZSRZREIWQTES-TXCZRRACSA-N 1 3 323.506 2.411 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3scnc3C)C2)[C@@H]1C(C)C ZINC000922396084 636157731 /nfs/dbraw/zinc/15/77/31/636157731.db2.gz ZYZSRZREIWQTES-TXCZRRACSA-N 1 3 323.506 2.411 20 0 DEADHO CC(C)CC[NH+]1CCC(NC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001004205864 636229587 /nfs/dbraw/zinc/22/95/87/636229587.db2.gz FWKJPDDKMCVBBA-HZPDHXFCSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH]cn3)C[C@@]2(C)C1 ZINC000982598672 636302089 /nfs/dbraw/zinc/30/20/89/636302089.db2.gz JWMWNUBRNXDQPL-HDICACEKSA-N 1 3 316.449 2.089 20 0 DEADHO CC(C)=CC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH]cn3)C[C@@]2(C)C1 ZINC000982598672 636302094 /nfs/dbraw/zinc/30/20/94/636302094.db2.gz JWMWNUBRNXDQPL-HDICACEKSA-N 1 3 316.449 2.089 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000927773346 636386982 /nfs/dbraw/zinc/38/69/82/636386982.db2.gz IQERRWQQUDMESV-YESZJQIVSA-N 1 3 307.482 2.240 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004457991 636459517 /nfs/dbraw/zinc/45/95/17/636459517.db2.gz NBDLHRCWGDVKOR-QZTJIDSGSA-N 1 3 321.509 2.440 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004457991 636459520 /nfs/dbraw/zinc/45/95/20/636459520.db2.gz NBDLHRCWGDVKOR-QZTJIDSGSA-N 1 3 321.509 2.440 20 0 DEADHO CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004460259 636459542 /nfs/dbraw/zinc/45/95/42/636459542.db2.gz YONFSVSERJRVDD-DLBZAZTESA-N 1 3 307.482 2.050 20 0 DEADHO CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004460259 636459545 /nfs/dbraw/zinc/45/95/45/636459545.db2.gz YONFSVSERJRVDD-DLBZAZTESA-N 1 3 307.482 2.050 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC([C@@H]2CCC[N@H+]2CCCF)CC1 ZINC001004578246 636491060 /nfs/dbraw/zinc/49/10/60/636491060.db2.gz ISOXRYDAYAEXKB-INIZCTEOSA-N 1 3 322.428 2.015 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC([C@@H]2CCC[N@@H+]2CCCF)CC1 ZINC001004578246 636491062 /nfs/dbraw/zinc/49/10/62/636491062.db2.gz ISOXRYDAYAEXKB-INIZCTEOSA-N 1 3 322.428 2.015 20 0 DEADHO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000923268957 637069365 /nfs/dbraw/zinc/06/93/65/637069365.db2.gz IBTYWFAFMLKGCS-RCCFBDPRSA-N 1 3 319.493 2.479 20 0 DEADHO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000923268957 637069372 /nfs/dbraw/zinc/06/93/72/637069372.db2.gz IBTYWFAFMLKGCS-RCCFBDPRSA-N 1 3 319.493 2.479 20 0 DEADHO [NH3+]C[C@H]1CCCN(C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000923282802 637083750 /nfs/dbraw/zinc/08/37/50/637083750.db2.gz XXJBEPPCRZBFIT-OCCSQVGLSA-N 1 3 316.367 2.280 20 0 DEADHO C[C@H](CN)[N@H+](C)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000923290623 637092353 /nfs/dbraw/zinc/09/23/53/637092353.db2.gz MOZRSJABRZEPSE-CABCVRRESA-N 1 3 311.429 2.434 20 0 DEADHO C[C@H](CN)[N@@H+](C)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000923290623 637092358 /nfs/dbraw/zinc/09/23/58/637092358.db2.gz MOZRSJABRZEPSE-CABCVRRESA-N 1 3 311.429 2.434 20 0 DEADHO NC[C@H]1CCC[N@@H+]1C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000923293135 637095116 /nfs/dbraw/zinc/09/51/16/637095116.db2.gz OAUNWEFCSNLOKJ-KGLIPLIRSA-N 1 3 302.340 2.032 20 0 DEADHO NC[C@H]1CCC[N@H+]1C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000923293135 637095119 /nfs/dbraw/zinc/09/51/19/637095119.db2.gz OAUNWEFCSNLOKJ-KGLIPLIRSA-N 1 3 302.340 2.032 20 0 DEADHO CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000923294694 637095970 /nfs/dbraw/zinc/09/59/70/637095970.db2.gz MIPFLUPVQGSPMQ-SJORKVTESA-N 1 3 301.434 2.057 20 0 DEADHO O[C@H](CCc1ccccc1)CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000923329752 637112056 /nfs/dbraw/zinc/11/20/56/637112056.db2.gz YGLNKXFPQMIOIP-OTWHNJEPSA-N 1 3 302.462 2.444 20 0 DEADHO NC1(C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CCC1 ZINC000923330982 637113507 /nfs/dbraw/zinc/11/35/07/637113507.db2.gz DYTJZYQDYNZPGE-NSHDSACASA-N 1 3 319.232 2.204 20 0 DEADHO Cc1csc(C2(NC[C@H]3CC4(C[NH2+]C4)CO3)CCCC2)n1 ZINC000923326601 637117581 /nfs/dbraw/zinc/11/75/81/637117581.db2.gz MPRWKGSJHRKYGL-CYBMUJFWSA-N 1 3 307.463 2.189 20 0 DEADHO Cc1nc2c(s1)[C@H](N(C)C[C@@H]1CC3(C[NH2+]C3)CO1)CCC2 ZINC000923325902 637117768 /nfs/dbraw/zinc/11/77/68/637117768.db2.gz WRAAHHPDLAYDCL-GXTWGEPZSA-N 1 3 307.463 2.139 20 0 DEADHO CCc1nc(C)c([C@@H](C)N(C)C[C@H]2CC3(C[NH2+]C3)CO2)s1 ZINC000923325432 637117880 /nfs/dbraw/zinc/11/78/80/637117880.db2.gz ULKJWKQKPOSNMH-CHWSQXEVSA-N 1 3 309.479 2.385 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)CN2CC[C@@H]([C@H](C)[NH3+])C2)c1C ZINC000923333533 637119951 /nfs/dbraw/zinc/11/99/51/637119951.db2.gz XQMKQQHPDMDDGR-GVDBMIGSSA-N 1 3 306.450 2.021 20 0 DEADHO CCN(C[C@H](O)COc1ccccc1F)[C@@H]1CCC[NH2+]CC1 ZINC000923337161 637123526 /nfs/dbraw/zinc/12/35/26/637123526.db2.gz XNRFWRONIKJROT-CABCVRRESA-N 1 3 310.413 2.029 20 0 DEADHO COC(=O)c1cncc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000923358272 637132526 /nfs/dbraw/zinc/13/25/26/637132526.db2.gz GMMAPZWSOJAUCF-JKSUJKDBSA-N 1 3 317.433 2.080 20 0 DEADHO C[C@@]1(C[NH3+])CCN(C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000923355089 637135025 /nfs/dbraw/zinc/13/50/25/637135025.db2.gz GRFXCQOWOMTQNJ-CABCVRRESA-N 1 3 316.367 2.280 20 0 DEADHO Cc1cccc(OC[C@H](O)CN[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000923372029 637142564 /nfs/dbraw/zinc/14/25/64/637142564.db2.gz FCUANURAXMQAEW-AEFFLSMTSA-N 1 3 306.450 2.232 20 0 DEADHO CCc1onc(C)c1CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000923380085 637147590 /nfs/dbraw/zinc/14/75/90/637147590.db2.gz UXSBPUZRVJXATO-WMLDXEAASA-N 1 3 307.438 2.264 20 0 DEADHO CCc1onc(C)c1CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000923380087 637147596 /nfs/dbraw/zinc/14/75/96/637147596.db2.gz UXSBPUZRVJXATO-YOEHRIQHSA-N 1 3 307.438 2.264 20 0 DEADHO C[C@@H]1CCCN(C[C@H](O)COc2ccccc2F)[C@H]1CC[NH3+] ZINC000923389365 637155874 /nfs/dbraw/zinc/15/58/74/637155874.db2.gz WUNVPJWYPPIYMC-YCPHGPKFSA-N 1 3 310.413 2.015 20 0 DEADHO CC(C)(C)[C@]1(C[NH3+])CCN(C[C@H](O)COc2ccccc2)C1 ZINC000923416775 637161751 /nfs/dbraw/zinc/16/17/51/637161751.db2.gz ZKLKPVPWCDHBBB-YJBOKZPZSA-N 1 3 306.450 2.123 20 0 DEADHO C[C@@H]1CCc2ccccc2N1C(=O)CN1CC[C@@H](CC[NH3+])C1 ZINC000923489006 637208272 /nfs/dbraw/zinc/20/82/72/637208272.db2.gz VSHMVRMPVKXXMM-HUUCEWRRSA-N 1 3 301.434 2.025 20 0 DEADHO Cc1ccc(N2CC[C@H](N3CC[C@@H](C[NH3+])[C@H](C)C3)C2=O)cc1 ZINC000923498473 637215110 /nfs/dbraw/zinc/21/51/10/637215110.db2.gz PRBVVICEENMKCB-VYDXJSESSA-N 1 3 301.434 2.017 20 0 DEADHO C[C@@H]1CN(CC(=O)N2CCC[C@@H]3CCCC[C@H]32)CC[C@H]1C[NH3+] ZINC000923500621 637217614 /nfs/dbraw/zinc/21/76/14/637217614.db2.gz QGNZOQQDNSGEPM-LTIDMASMSA-N 1 3 307.482 2.084 20 0 DEADHO CCN(CC)C(=O)[C@H](C)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923504523 637219896 /nfs/dbraw/zinc/21/98/96/637219896.db2.gz ZMRPAIBESXOWRD-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO OC[C@@H]1c2ccccc2OCCN1CCCC1CC[NH2+]CC1 ZINC000923553622 637243500 /nfs/dbraw/zinc/24/35/00/637243500.db2.gz LWCASSWCSJKVSV-QGZVFWFLSA-N 1 3 304.434 2.194 20 0 DEADHO CC1CCN(CC(=O)N(C)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001006183277 637269461 /nfs/dbraw/zinc/26/94/61/637269461.db2.gz IIYSAZLSOXMGLZ-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@H](C)[NH2+]CC2CC2)CC1 ZINC001029172913 637291156 /nfs/dbraw/zinc/29/11/56/637291156.db2.gz JUKFPMWYHJKUON-MAUKXSAKSA-N 1 3 321.509 2.488 20 0 DEADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)NCCCCC[NH+]1CCCC1 ZINC000895049826 637418461 /nfs/dbraw/zinc/41/84/61/637418461.db2.gz GEADFDRVROCNMD-IRXDYDNUSA-N 1 3 322.497 2.131 20 0 DEADHO C[NH2+]CCCC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000237171926 637463144 /nfs/dbraw/zinc/46/31/44/637463144.db2.gz RXUPETHFNVWRAR-QGZVFWFLSA-N 1 3 303.450 2.248 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(C)C)C1 ZINC001029335935 637618762 /nfs/dbraw/zinc/61/87/62/637618762.db2.gz CCGTYAPXYGXYEH-ZACQAIPSSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(C)C)C1 ZINC001029335935 637618765 /nfs/dbraw/zinc/61/87/65/637618765.db2.gz CCGTYAPXYGXYEH-ZACQAIPSSA-N 1 3 307.482 2.048 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+]Cc2cnc3ccccc3c2)CC1 ZINC000727466115 637953557 /nfs/dbraw/zinc/95/35/57/637953557.db2.gz WGOMHZXRCCHSIP-MRXNPFEDSA-N 1 3 312.461 2.350 20 0 DEADHO CO[C@@H](CN1CCN(c2cc[nH+]cc2)[C@H](C)C1)C1CCOCC1 ZINC000895557968 638083984 /nfs/dbraw/zinc/08/39/84/638083984.db2.gz UICPENGXUDQMIY-QAPCUYQASA-N 1 3 319.449 2.034 20 0 DEADHO CO[C@@H](CN1CCN(c2cc[nH+]cc2)[C@@H](C)C1)C1CCOCC1 ZINC000895557969 638084177 /nfs/dbraw/zinc/08/41/77/638084177.db2.gz UICPENGXUDQMIY-YJBOKZPZSA-N 1 3 319.449 2.034 20 0 DEADHO C[C@H]1CCC[N@@H+]1CCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000743813874 638175626 /nfs/dbraw/zinc/17/56/26/638175626.db2.gz XYTRMKKQLIFXAP-AWEZNQCLSA-N 1 3 304.438 2.354 20 0 DEADHO C[C@H]1CCC[N@H+]1CCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000743813874 638175631 /nfs/dbraw/zinc/17/56/31/638175631.db2.gz XYTRMKKQLIFXAP-AWEZNQCLSA-N 1 3 304.438 2.354 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2CN)C1 ZINC000841027378 650407952 /nfs/dbraw/zinc/40/79/52/650407952.db2.gz ANQPDQQNJGSRSN-CRWXNKLISA-N 1 3 318.408 2.461 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@H]2CCN[C@@H](C)C2)C1 ZINC000841061838 650418883 /nfs/dbraw/zinc/41/88/83/650418883.db2.gz NOJFTCCKESMZDL-RNJOBUHISA-N 1 3 304.381 2.084 20 0 DEADHO CN(C)C1(C(=O)N2CCC([N@H+](C)CCC3CC3)CC2)CCC1 ZINC000985469457 639452304 /nfs/dbraw/zinc/45/23/04/639452304.db2.gz FALCYFHMVJXECQ-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)C1(C(=O)N2CCC([N@@H+](C)CCC3CC3)CC2)CCC1 ZINC000985469457 639452307 /nfs/dbraw/zinc/45/23/07/639452307.db2.gz FALCYFHMVJXECQ-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CCC2CCCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987059794 640072600 /nfs/dbraw/zinc/07/26/00/640072600.db2.gz SJGLUXMPFNNYMF-BBRMVZONSA-N 1 3 304.438 2.112 20 0 DEADHO CCC[C@@H]1CNCCN1C(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000841849278 650578557 /nfs/dbraw/zinc/57/85/57/650578557.db2.gz GMKSLCOYOJCGDA-KGLIPLIRSA-N 1 3 324.856 2.034 20 0 DEADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC000762980110 640489188 /nfs/dbraw/zinc/48/91/88/640489188.db2.gz UULWDALIQOQEMR-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C(=O)NC[C@H]1N(C)CCCC1(C)C)C1CCC([NH3+])CC1 ZINC000841891764 650595586 /nfs/dbraw/zinc/59/55/86/650595586.db2.gz UJVLVZSHKBVLKS-YMAMQOFZSA-N 1 3 310.486 2.018 20 0 DEADHO CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]C2CCNCC2)C1 ZINC000841030626 640853086 /nfs/dbraw/zinc/85/30/86/640853086.db2.gz UGRDIRNZGIIUHX-AAEUAGOBSA-N 1 3 304.381 2.085 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccco1 ZINC000897730131 640923572 /nfs/dbraw/zinc/92/35/72/640923572.db2.gz JTCGSXLHALEMFI-ZNMIVQPWSA-N 1 3 307.438 2.167 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccco1 ZINC000897730131 640923574 /nfs/dbraw/zinc/92/35/74/640923574.db2.gz JTCGSXLHALEMFI-ZNMIVQPWSA-N 1 3 307.438 2.167 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CCC2CCCC2)CN1C(=O)Cc1c[nH]cn1 ZINC000989490757 641122798 /nfs/dbraw/zinc/12/27/98/641122798.db2.gz ACIZKCYPNXCQBY-XJKSGUPXSA-N 1 3 304.438 2.112 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)CN1C(=O)Cc1c[nH]cn1 ZINC000989493161 641123862 /nfs/dbraw/zinc/12/38/62/641123862.db2.gz RPNOSSOZUKAMMM-WMLDXEAASA-N 1 3 316.449 2.422 20 0 DEADHO C[C@H](c1ccccc1)N1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000989665672 641188735 /nfs/dbraw/zinc/18/87/35/641188735.db2.gz KGTVHHAOKRALGE-AEFFLSMTSA-N 1 3 315.461 2.234 20 0 DEADHO C[C@H](c1ccccc1)N1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989665672 641188738 /nfs/dbraw/zinc/18/87/38/641188738.db2.gz KGTVHHAOKRALGE-AEFFLSMTSA-N 1 3 315.461 2.234 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cnn(C3CCC3)c2)CC1 ZINC000924670230 641565919 /nfs/dbraw/zinc/56/59/19/641565919.db2.gz LWGSDGRYXTUUTM-JKSUJKDBSA-N 1 3 319.497 2.285 20 0 DEADHO CN(CCC[NH+](C)C)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000901327329 642625006 /nfs/dbraw/zinc/62/50/06/642625006.db2.gz MRWBMMRINGCDRT-UHFFFAOYSA-N 1 3 302.422 2.315 20 0 DEADHO CC1(C)C[NH2+]CC[C@@H](N[C@@H](CO)Cc2c[nH]c3ccccc23)C1 ZINC000902358771 643018651 /nfs/dbraw/zinc/01/86/51/643018651.db2.gz DBQYXTFUNYZUNS-HZPDHXFCSA-N 1 3 315.461 2.439 20 0 DEADHO COc1cc(NCCN[C@@H]2CC[NH2+]CC(C)(C)C2)cc(OC)c1 ZINC000902362849 643019851 /nfs/dbraw/zinc/01/98/51/643019851.db2.gz SKHOUWKSJRKBLG-CQSZACIVSA-N 1 3 321.465 2.484 20 0 DEADHO COC[C@](C)(O)CN[C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902360299 643020058 /nfs/dbraw/zinc/02/00/58/643020058.db2.gz KLPFZSBCKAULQT-JKSUJKDBSA-N 1 3 316.392 2.122 20 0 DEADHO Cc1ccc(C(=O)NCCN[C@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000902360174 643020334 /nfs/dbraw/zinc/02/03/34/643020334.db2.gz GIONKKDRFZLLRI-INIZCTEOSA-N 1 3 303.450 2.093 20 0 DEADHO Cn1c(=O)ccc2c1CCC[C@@H]2N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902392101 643027785 /nfs/dbraw/zinc/02/77/85/643027785.db2.gz KEITVHZQMJWDID-ZFWWWQNUSA-N 1 3 303.450 2.131 20 0 DEADHO CC(C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)N1CCOCC1 ZINC000903059330 643233874 /nfs/dbraw/zinc/23/38/74/643233874.db2.gz MKVUBUBTYLLQBN-DQXYTYHJSA-N 1 3 321.509 2.091 20 0 DEADHO CC(C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)N1CCOCC1 ZINC000903059330 643233878 /nfs/dbraw/zinc/23/38/78/643233878.db2.gz MKVUBUBTYLLQBN-DQXYTYHJSA-N 1 3 321.509 2.091 20 0 DEADHO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H](CCN(C)C)c2cccnc2)C1 ZINC000903376597 643334495 /nfs/dbraw/zinc/33/44/95/643334495.db2.gz FWVHREROLZZUPV-VNQPRFMTSA-N 1 3 305.422 2.006 20 0 DEADHO Cc1ccc(OCCN(C)C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903717434 643438387 /nfs/dbraw/zinc/43/83/87/643438387.db2.gz AHUUDDTXTZJXAZ-ROUUACIJSA-N 1 3 304.434 2.074 20 0 DEADHO CCN(CC)C(=O)[C@H](C)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794456 643458224 /nfs/dbraw/zinc/45/82/24/643458224.db2.gz VVNURPJMQUJGRM-INIZCTEOSA-N 1 3 317.477 2.236 20 0 DEADHO CCCCNC(=O)[C@@H](C)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794568 643458348 /nfs/dbraw/zinc/45/83/48/643458348.db2.gz ZYPKNUFRWUHDMG-MRXNPFEDSA-N 1 3 317.477 2.284 20 0 DEADHO Cc1c(C[C@@H](CN)C[NH2+]CCc2ccc(F)cc2C)cnn1C ZINC000903923088 643508904 /nfs/dbraw/zinc/50/89/04/643508904.db2.gz KYSSCANRHDBRLE-HNNXBMFYSA-N 1 3 318.440 2.126 20 0 DEADHO Cc1c(C[C@@H](C[NH3+])CNC2(c3ccccc3C)CC2)cnn1C ZINC000903930498 643513250 /nfs/dbraw/zinc/51/32/50/643513250.db2.gz YXQPXSQGXLMEIK-INIZCTEOSA-N 1 3 312.461 2.433 20 0 DEADHO FC1(F)CCNC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000903955474 643529009 /nfs/dbraw/zinc/52/90/09/643529009.db2.gz SLMIVYHTRWFTGJ-AWEZNQCLSA-N 1 3 306.360 2.411 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H]1CCNCc1cc(O)ccc1Br ZINC000903974861 643532026 /nfs/dbraw/zinc/53/20/26/643532026.db2.gz UMTZIAMCLRPHQW-GHMZBOCLSA-N 1 3 313.239 2.490 20 0 DEADHO C[C@@]1(CN2CC[C@@H](C(=O)NCc3ccccc3)C2)CCC[NH2+]C1 ZINC000904373459 643648626 /nfs/dbraw/zinc/64/86/26/643648626.db2.gz FGPUHJXBRXVURI-IEBWSBKVSA-N 1 3 315.461 2.014 20 0 DEADHO COc1ccc(CN2CCC3(CO[C@H](C[NH3+])C3)CC2)c(F)c1 ZINC000904392873 643652551 /nfs/dbraw/zinc/65/25/51/643652551.db2.gz BVEOGQGHPFAXJA-HNNXBMFYSA-N 1 3 308.397 2.164 20 0 DEADHO C[C@]12CN(Cc3cnnn3[C@@H]3CCC[NH2+]C3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000904461391 643670069 /nfs/dbraw/zinc/67/00/69/643670069.db2.gz AGNPZSXXIOGXRU-CZIKEKGBSA-N 1 3 315.465 2.071 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@@H](O)CC2(O)CCCCC2)C1 ZINC000905069448 643787082 /nfs/dbraw/zinc/78/70/82/643787082.db2.gz DUQOGEIAULKIGE-SJORKVTESA-N 1 3 312.498 2.143 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC[C@@H](O)CC2(O)CCCCC2)C1 ZINC000905069448 643787085 /nfs/dbraw/zinc/78/70/85/643787085.db2.gz DUQOGEIAULKIGE-SJORKVTESA-N 1 3 312.498 2.143 20 0 DEADHO CC1CCN(CCC[NH2+]C[C@H](O)CC2(CO)CCCC2)CC1 ZINC000905890024 644073723 /nfs/dbraw/zinc/07/37/23/644073723.db2.gz QCJKACMTJCEWBR-QGZVFWFLSA-N 1 3 312.498 2.002 20 0 DEADHO CC1CC[NH+](CCCNC[C@H](O)CC2(CO)CCCC2)CC1 ZINC000905890024 644073728 /nfs/dbraw/zinc/07/37/28/644073728.db2.gz QCJKACMTJCEWBR-QGZVFWFLSA-N 1 3 312.498 2.002 20 0 DEADHO CC1CCN(CCC[NH2+]C[C@@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000905890800 644074496 /nfs/dbraw/zinc/07/44/96/644074496.db2.gz VOAOBGMMQBYUAZ-OALUTQOASA-N 1 3 320.477 2.183 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000792499919 644118684 /nfs/dbraw/zinc/11/86/84/644118684.db2.gz XTVGYRJSAFCWKR-QGZVFWFLSA-N 1 3 315.461 2.109 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000792499919 644118686 /nfs/dbraw/zinc/11/86/86/644118686.db2.gz XTVGYRJSAFCWKR-QGZVFWFLSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(C)(C)N1CCCCC1 ZINC000908153563 644755010 /nfs/dbraw/zinc/75/50/10/644755010.db2.gz ZEEUJYMSBLHERA-HOTGVXAUSA-N 1 3 307.482 2.336 20 0 DEADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(C)(C)N1CCCCC1 ZINC000908153565 644755047 /nfs/dbraw/zinc/75/50/47/644755047.db2.gz ZEEUJYMSBLHERA-JKSUJKDBSA-N 1 3 307.482 2.336 20 0 DEADHO C[N@@H+]1CC[C@H](NCc2ccc(-n3ccnc3)nc2)[C@@H]2CCC[C@H]21 ZINC000796682018 644775511 /nfs/dbraw/zinc/77/55/11/644775511.db2.gz IXJKARWTRDRATJ-YESZJQIVSA-N 1 3 311.433 2.230 20 0 DEADHO C[N@H+]1CC[C@H](NCc2ccc(-n3ccnc3)nc2)[C@@H]2CCC[C@H]21 ZINC000796682018 644775517 /nfs/dbraw/zinc/77/55/17/644775517.db2.gz IXJKARWTRDRATJ-YESZJQIVSA-N 1 3 311.433 2.230 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(C3CC3)C[C@H](C)C2)C1 ZINC000908503352 644891764 /nfs/dbraw/zinc/89/17/64/644891764.db2.gz IKFNKKKBFWOZEJ-JKSUJKDBSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCN(C3CC3)C[C@H](C)C2)C1 ZINC000908503352 644891771 /nfs/dbraw/zinc/89/17/71/644891771.db2.gz IKFNKKKBFWOZEJ-JKSUJKDBSA-N 1 3 307.482 2.051 20 0 DEADHO COC(=O)c1cccc(CN2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000799178600 645139866 /nfs/dbraw/zinc/13/98/66/645139866.db2.gz WYSAWSCCFCURGK-UHFFFAOYSA-N 1 3 317.433 2.176 20 0 DEADHO CC[N@H+](CCCN1CCN(C(C)C)CC1)CCc1ccccn1 ZINC000800354947 645260976 /nfs/dbraw/zinc/26/09/76/645260976.db2.gz IVYZLUQGXBPGPQ-UHFFFAOYSA-N 1 3 318.509 2.362 20 0 DEADHO CC[N@@H+](CCCN1CCN(C(C)C)CC1)CCc1ccccn1 ZINC000800354947 645260982 /nfs/dbraw/zinc/26/09/82/645260982.db2.gz IVYZLUQGXBPGPQ-UHFFFAOYSA-N 1 3 318.509 2.362 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@H]2CCCCN2C)C1 ZINC000912002823 645905679 /nfs/dbraw/zinc/90/56/79/645905679.db2.gz UNSPKNNAPQCCOP-IAGOWNOFSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H]2CCCCN2C)C1 ZINC000912002823 645905682 /nfs/dbraw/zinc/90/56/82/645905682.db2.gz UNSPKNNAPQCCOP-IAGOWNOFSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@@H](F)CCN1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001030026624 646162368 /nfs/dbraw/zinc/16/23/68/646162368.db2.gz IHJKBJKTUOWPNN-FXUDXRNXSA-N 1 3 313.461 2.045 20 0 DEADHO C[C@@H](F)CCN1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001030026624 646162369 /nfs/dbraw/zinc/16/23/69/646162369.db2.gz IHJKBJKTUOWPNN-FXUDXRNXSA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)[N@H+](C)CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810109550 646325547 /nfs/dbraw/zinc/32/55/47/646325547.db2.gz DAKKBVBVSFCQCS-MRXNPFEDSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)[N@@H+](C)CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810109550 646325551 /nfs/dbraw/zinc/32/55/51/646325551.db2.gz DAKKBVBVSFCQCS-MRXNPFEDSA-N 1 3 301.450 2.045 20 0 DEADHO C[C@H](F)CCN1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001030033513 646442724 /nfs/dbraw/zinc/44/27/24/646442724.db2.gz IHJKBJKTUOWPNN-VGWMRTNUSA-N 1 3 313.461 2.045 20 0 DEADHO C[C@H](F)CCN1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001030033513 646442727 /nfs/dbraw/zinc/44/27/27/646442727.db2.gz IHJKBJKTUOWPNN-VGWMRTNUSA-N 1 3 313.461 2.045 20 0 DEADHO C[NH+](C)[C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000811458103 646532891 /nfs/dbraw/zinc/53/28/91/646532891.db2.gz UCPAZTZCDAAOAI-WMLDXEAASA-N 1 3 313.461 2.142 20 0 DEADHO C[NH+]1CCC([C@@H]2CCN(CN3C(=O)C(C)(C)[C@@H]3C3CC3)C2)CC1 ZINC000811759261 646570785 /nfs/dbraw/zinc/57/07/85/646570785.db2.gz CARFFKQPWBLTMX-SJORKVTESA-N 1 3 319.493 2.255 20 0 DEADHO CC[C@H](N)C[NH2+][C@@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000817980872 647399883 /nfs/dbraw/zinc/39/98/83/647399883.db2.gz YAPDGNMRKFWTCE-BBRMVZONSA-N 1 3 302.422 2.328 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CCC[N@@H+]1CC1CCC1 ZINC000993526035 647690380 /nfs/dbraw/zinc/69/03/80/647690380.db2.gz GAIMEXDTUOSJGD-WBVHZDCISA-N 1 3 319.493 2.384 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CCC[N@H+]1CC1CCC1 ZINC000993526035 647690383 /nfs/dbraw/zinc/69/03/83/647690383.db2.gz GAIMEXDTUOSJGD-WBVHZDCISA-N 1 3 319.493 2.384 20 0 DEADHO CC(C)=CCN1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993757417 647740142 /nfs/dbraw/zinc/74/01/42/647740142.db2.gz HDQAFIZFKKBDJQ-NVXWUHKLSA-N 1 3 307.482 2.264 20 0 DEADHO CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C(C)(C)C1 ZINC000940942302 648974866 /nfs/dbraw/zinc/97/48/66/648974866.db2.gz CEMDAIQPIALWNV-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C(C)(C)C1 ZINC000940942302 648974870 /nfs/dbraw/zinc/97/48/70/648974870.db2.gz CEMDAIQPIALWNV-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CCCN1CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000828834246 649229915 /nfs/dbraw/zinc/22/99/15/649229915.db2.gz OVYCJIUQAFLHCF-WBVHZDCISA-N 1 3 307.482 2.384 20 0 DEADHO C[C@@H]1CCCN1CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000828834246 649229916 /nfs/dbraw/zinc/22/99/16/649229916.db2.gz OVYCJIUQAFLHCF-WBVHZDCISA-N 1 3 307.482 2.384 20 0 DEADHO COCCN1[C@H](C)CN(CC[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000830075257 649390452 /nfs/dbraw/zinc/39/04/52/649390452.db2.gz YNHCSZPJNAQBTH-HDICACEKSA-N 1 3 319.493 2.159 20 0 DEADHO COCCN1[C@H](C)CN(CC[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000830075257 649390453 /nfs/dbraw/zinc/39/04/53/649390453.db2.gz YNHCSZPJNAQBTH-HDICACEKSA-N 1 3 319.493 2.159 20 0 DEADHO C[C@@H](NC(=O)NCCCCCC[NH3+])[C@H](c1ccccc1)N(C)C ZINC000831161115 649545898 /nfs/dbraw/zinc/54/58/98/649545898.db2.gz PVQSVDGMQHUANH-NVXWUHKLSA-N 1 3 320.481 2.496 20 0 DEADHO CN(C)C[C@H](NC(=O)C[C@@H]([NH3+])C1CC1)c1ccc(Cl)cc1 ZINC000831933540 649660595 /nfs/dbraw/zinc/66/05/95/649660595.db2.gz MGPLUKXHZPOAFW-CABCVRRESA-N 1 3 309.841 2.186 20 0 DEADHO Clc1ccc(CN2CCN(CCC3CC[NH2+]CC3)CC2)cn1 ZINC000844222040 651095937 /nfs/dbraw/zinc/09/59/37/651095937.db2.gz RCQSOWFSXDMHQR-UHFFFAOYSA-N 1 3 322.884 2.242 20 0 DEADHO CC(C)(C)OC(=O)NCCCCCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000844278882 651103155 /nfs/dbraw/zinc/10/31/55/651103155.db2.gz KYPWLDDLEYWPDS-GASCZTMLSA-N 1 3 311.470 2.223 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000849019691 651584724 /nfs/dbraw/zinc/58/47/24/651584724.db2.gz ZGCMFIVVIWCUHV-KFWWJZLASA-N 1 3 310.486 2.177 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(COC)CCCCC1 ZINC000849029802 651588707 /nfs/dbraw/zinc/58/87/07/651588707.db2.gz NOJLQTDARCMOKB-HNNXBMFYSA-N 1 3 310.486 2.182 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C(C)(C)C(C)(F)F ZINC000855347086 651679926 /nfs/dbraw/zinc/67/99/26/651679926.db2.gz SLEQGPHRSIYXIH-LBPRGKRZSA-N 1 3 307.429 2.056 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C(C)(C)C(C)(F)F ZINC000855347086 651679927 /nfs/dbraw/zinc/67/99/27/651679927.db2.gz SLEQGPHRSIYXIH-LBPRGKRZSA-N 1 3 307.429 2.056 20 0 DEADHO CON(C)CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000850479376 651936439 /nfs/dbraw/zinc/93/64/39/651936439.db2.gz RGBFPFXQHWSGMP-GBESFXJTSA-N 1 3 317.477 2.370 20 0 DEADHO CON(C)CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000850479376 651936442 /nfs/dbraw/zinc/93/64/42/651936442.db2.gz RGBFPFXQHWSGMP-GBESFXJTSA-N 1 3 317.477 2.370 20 0 DEADHO COC[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856600225 651955600 /nfs/dbraw/zinc/95/56/00/651955600.db2.gz RNIXKSHXUMALGV-CRAIPNDOSA-N 1 3 321.465 2.410 20 0 DEADHO COC[C@@H](C)[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856600225 651955603 /nfs/dbraw/zinc/95/56/03/651955603.db2.gz RNIXKSHXUMALGV-CRAIPNDOSA-N 1 3 321.465 2.410 20 0 DEADHO CCOCC[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856599917 651955811 /nfs/dbraw/zinc/95/58/11/651955811.db2.gz ULBOQLBHVIXAMO-SFHVURJKSA-N 1 3 321.465 2.411 20 0 DEADHO CCOCC[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856599917 651955813 /nfs/dbraw/zinc/95/58/13/651955813.db2.gz ULBOQLBHVIXAMO-SFHVURJKSA-N 1 3 321.465 2.411 20 0 DEADHO C[NH2+]C[C@H](C)N[C@@H](C)CCCCN1C(=O)c2ccccc2C1=O ZINC000853250038 652529511 /nfs/dbraw/zinc/52/95/11/652529511.db2.gz ZFXZDUYCCYIMFV-KBPBESRZSA-N 1 3 317.433 2.039 20 0 DEADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000854230649 652662768 /nfs/dbraw/zinc/66/27/68/652662768.db2.gz VNVKSKNIWREJPK-XJKSGUPXSA-N 1 3 304.438 2.240 20 0 DEADHO CN(C)C1(C(=O)NCC2C[NH+](CCCC(C)(C)C)C2)CCC1 ZINC001391496882 1156466876 /nfs/dbraw/zinc/46/68/76/1156466876.db2.gz ZBRPLMGDISUHBY-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@H+](CC)C1 ZINC001393653096 1157894101 /nfs/dbraw/zinc/89/41/01/1157894101.db2.gz WCJOUBVPELXLAZ-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+](CC)C1 ZINC001393653096 1157894105 /nfs/dbraw/zinc/89/41/05/1157894105.db2.gz WCJOUBVPELXLAZ-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]C[C@H]1CCCC(F)(F)C1)N(C)C ZINC001374813322 1158038842 /nfs/dbraw/zinc/03/88/42/1158038842.db2.gz FXKPHGRMNTZMRC-RDBSUJKOSA-N 1 3 319.440 2.246 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@H+](CCC(C)C)C2 ZINC001394349425 1158422375 /nfs/dbraw/zinc/42/23/75/1158422375.db2.gz JHRLKLXWOSBEFJ-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@@H+](CCC(C)C)C2 ZINC001394349425 1158422376 /nfs/dbraw/zinc/42/23/76/1158422376.db2.gz JHRLKLXWOSBEFJ-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)CC[N@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001394388042 1158470325 /nfs/dbraw/zinc/47/03/25/1158470325.db2.gz XKGOFMCBTOIVLP-UHFFFAOYSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CC[N@@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001394388042 1158470355 /nfs/dbraw/zinc/47/03/55/1158470355.db2.gz XKGOFMCBTOIVLP-UHFFFAOYSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@H]1NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000396591353 685462955 /nfs/dbraw/zinc/46/29/55/685462955.db2.gz CJUNOMSOGWJKDA-YTQUADARSA-N 1 3 317.477 2.008 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(Cl)cc1 ZINC000104153158 684058689 /nfs/dbraw/zinc/05/86/89/684058689.db2.gz ZHINDYAXFYFSGN-HNNXBMFYSA-N 1 3 308.857 2.271 20 0 DEADHO CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2ccc(CN)nc2C)C1 ZINC000863543851 686519242 /nfs/dbraw/zinc/51/92/42/686519242.db2.gz DLJWPUCHUJJMHZ-SMDDNHRTSA-N 1 3 303.406 2.151 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CCC1CCCC1 ZINC001054734078 694034560 /nfs/dbraw/zinc/03/45/60/694034560.db2.gz ACIVFYWYZPOQPH-YJBOKZPZSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CC1CCCC1 ZINC001054738186 694036495 /nfs/dbraw/zinc/03/64/95/694036495.db2.gz ODDVXMCLRLGVQG-PBHICJAKSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](CNC(=[NH2+])Nc1ccc(CCO)cc1)N1CCCC[C@@H]1C ZINC000864452856 686725844 /nfs/dbraw/zinc/72/58/44/686725844.db2.gz KHSGXFBWXMHJGE-LSDHHAIUSA-N 1 3 318.465 2.421 20 0 DEADHO C[C@H](NC(=O)Nc1cccc(CN(C)C)c1)C1CC[NH2+]CC1 ZINC000864618392 686780564 /nfs/dbraw/zinc/78/05/64/686780564.db2.gz CRCZJODIQBILLP-ZDUSSCGKSA-N 1 3 304.438 2.258 20 0 DEADHO CC(C)[NH+]1CCC(O)(CNCc2cnc(Cl)c(F)c2)CC1 ZINC000865492859 687233499 /nfs/dbraw/zinc/23/34/99/687233499.db2.gz XNZRZEDBEWTFLW-UHFFFAOYSA-N 1 3 315.820 2.199 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001015794492 687424213 /nfs/dbraw/zinc/42/42/13/687424213.db2.gz HKXONHFDKAALDG-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001015794492 687424216 /nfs/dbraw/zinc/42/42/16/687424216.db2.gz HKXONHFDKAALDG-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000866153691 687467923 /nfs/dbraw/zinc/46/79/23/687467923.db2.gz QJTHHFQJJCYVMQ-DOTOQJQBSA-N 1 3 316.449 2.306 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000866153691 687467928 /nfs/dbraw/zinc/46/79/28/687467928.db2.gz QJTHHFQJJCYVMQ-DOTOQJQBSA-N 1 3 316.449 2.306 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC001015973760 687486712 /nfs/dbraw/zinc/48/67/12/687486712.db2.gz RQZNOCDLQWBSCR-DLBZAZTESA-N 1 3 307.482 2.242 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001015973760 687486715 /nfs/dbraw/zinc/48/67/15/687486715.db2.gz RQZNOCDLQWBSCR-DLBZAZTESA-N 1 3 307.482 2.242 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[N@H+](CCC3CC3)C2)c1 ZINC001016324155 687591642 /nfs/dbraw/zinc/59/16/42/687591642.db2.gz VJWUGGLQSZDRBL-SFHVURJKSA-N 1 3 315.461 2.352 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[N@@H+](CCC3CC3)C2)c1 ZINC001016324155 687591645 /nfs/dbraw/zinc/59/16/45/687591645.db2.gz VJWUGGLQSZDRBL-SFHVURJKSA-N 1 3 315.461 2.352 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@@H](C[N@H+](C)CC3CC3)C2)CCC1 ZINC001017142087 687801988 /nfs/dbraw/zinc/80/19/88/687801988.db2.gz KMMSPQHIUZOGCR-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@@H](C[N@@H+](C)CC3CC3)C2)CCC1 ZINC001017142087 687801993 /nfs/dbraw/zinc/80/19/93/687801993.db2.gz KMMSPQHIUZOGCR-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001017572037 687915013 /nfs/dbraw/zinc/91/50/13/687915013.db2.gz RWFSQJHXBKJOPE-DFBDCSAJSA-N 1 3 321.509 2.438 20 0 DEADHO CC[C@@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001017572037 687915019 /nfs/dbraw/zinc/91/50/19/687915019.db2.gz RWFSQJHXBKJOPE-DFBDCSAJSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001017882900 687984973 /nfs/dbraw/zinc/98/49/73/687984973.db2.gz MLUTXGOFUBXZAD-CALCHBBNSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001018301914 688104348 /nfs/dbraw/zinc/10/43/48/688104348.db2.gz MNXRPPMKRNAVTK-LUKYLMHMSA-N 1 3 307.482 2.190 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001019381069 688343012 /nfs/dbraw/zinc/34/30/12/688343012.db2.gz XFOCRXIXUOIPEI-WMZOPIPTSA-N 1 3 315.461 2.170 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001019384206 688343899 /nfs/dbraw/zinc/34/38/99/688343899.db2.gz WXSJLIRPEQRFPH-RDJZCZTQSA-N 1 3 307.482 2.099 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[N@H+](CCCF)C2)c1 ZINC001029000129 688547956 /nfs/dbraw/zinc/54/79/56/688547956.db2.gz AHLCRFRUNBZTDF-MRXNPFEDSA-N 1 3 321.440 2.160 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[N@@H+](CCCF)C2)c1 ZINC001029000129 688547959 /nfs/dbraw/zinc/54/79/59/688547959.db2.gz AHLCRFRUNBZTDF-MRXNPFEDSA-N 1 3 321.440 2.160 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@H+](C)CC3CCCC3)C2)CCC1 ZINC001029753405 688572525 /nfs/dbraw/zinc/57/25/25/688572525.db2.gz FUSRRBVZKRIAIY-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CCCC3)C2)CCC1 ZINC001029753405 688572529 /nfs/dbraw/zinc/57/25/29/688572529.db2.gz FUSRRBVZKRIAIY-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2ccsc2)C1)N(C)C ZINC001029766968 688574622 /nfs/dbraw/zinc/57/46/22/688574622.db2.gz ITAJEIGBAOARRU-GDBMZVCRSA-N 1 3 323.506 2.369 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccsc2)C1)N(C)C ZINC001029766968 688574625 /nfs/dbraw/zinc/57/46/25/688574625.db2.gz ITAJEIGBAOARRU-GDBMZVCRSA-N 1 3 323.506 2.369 20 0 DEADHO CC(C)[NH+]1CCC(CCNC(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000870955228 688694547 /nfs/dbraw/zinc/69/45/47/688694547.db2.gz QXDZXLNWHAPNKL-QGZVFWFLSA-N 1 3 307.482 2.240 20 0 DEADHO CN1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CCC1(C)C ZINC000871158213 688740136 /nfs/dbraw/zinc/74/01/36/688740136.db2.gz SJHSNDBSTGGSLI-KRWDZBQOSA-N 1 3 313.461 2.142 20 0 DEADHO CN1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CCC1(C)C ZINC000871158213 688740139 /nfs/dbraw/zinc/74/01/39/688740139.db2.gz SJHSNDBSTGGSLI-KRWDZBQOSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@@H](C(=O)N1CCc2ccccc2C1)N(C)CCCCCC[NH3+] ZINC000872155553 688940342 /nfs/dbraw/zinc/94/03/42/688940342.db2.gz PZGMENARUJYDRP-INIZCTEOSA-N 1 3 317.477 2.411 20 0 DEADHO C[C@H](C(=O)NCc1ccc(F)cc1)N(C)CCCCCC[NH3+] ZINC000872155684 688940556 /nfs/dbraw/zinc/94/05/56/688940556.db2.gz YLPYUKCUEVXJNM-CQSZACIVSA-N 1 3 309.429 2.281 20 0 DEADHO C[C@H](C(=O)NC1CC1)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158150 688941174 /nfs/dbraw/zinc/94/11/74/688941174.db2.gz XRXQZAPVNRSNFF-CPUCHLNUSA-N 1 3 307.482 2.273 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N2CC[NH2+]CCC2(C)C)cc(Cl)n1 ZINC000872296964 688976345 /nfs/dbraw/zinc/97/63/45/688976345.db2.gz CUPBMYCYVQXKPA-CYBMUJFWSA-N 1 3 324.856 2.034 20 0 DEADHO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000872303537 688977841 /nfs/dbraw/zinc/97/78/41/688977841.db2.gz KKJIXQNBKJRDAO-BBWFWOEESA-N 1 3 317.433 2.194 20 0 DEADHO CCOC(=O)CCN(Cc1cc2c(s1)CC[NH2+]C2)C1CC1 ZINC000873204637 689182113 /nfs/dbraw/zinc/18/21/13/689182113.db2.gz FPXDJQVLSCXSAZ-UHFFFAOYSA-N 1 3 308.447 2.311 20 0 DEADHO NCc1cn(-c2cccc(C[NH2+][C@@H](C3CC3)C3CCC3)c2)nn1 ZINC000873243977 689192298 /nfs/dbraw/zinc/19/22/98/689192298.db2.gz OCPXFWJVGXOZCR-GOSISDBHSA-N 1 3 311.433 2.394 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC(C)C)C1 ZINC001032580901 689193217 /nfs/dbraw/zinc/19/32/17/689193217.db2.gz DGXCGMPBFBOWSJ-BZSNNMDCSA-N 1 3 321.509 2.440 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC(C)C)C1 ZINC001032580901 689193219 /nfs/dbraw/zinc/19/32/19/689193219.db2.gz DGXCGMPBFBOWSJ-BZSNNMDCSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N(C)[C@@H]1CC[N@H+](CCCF)C1 ZINC001033683681 689583563 /nfs/dbraw/zinc/58/35/63/689583563.db2.gz AWZKLFZRXUGDHY-MRXNPFEDSA-N 1 3 321.440 2.254 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N(C)[C@@H]1CC[N@@H+](CCCF)C1 ZINC001033683681 689583566 /nfs/dbraw/zinc/58/35/66/689583566.db2.gz AWZKLFZRXUGDHY-MRXNPFEDSA-N 1 3 321.440 2.254 20 0 DEADHO CCN(C(=O)[C@H]1CCCN1C(C)C)[C@@H]1CC[N@H+](CCCF)C1 ZINC001033829148 689628883 /nfs/dbraw/zinc/62/88/83/689628883.db2.gz UAMQUHWMVBJPAP-HZPDHXFCSA-N 1 3 313.461 2.142 20 0 DEADHO CCN(C(=O)[C@H]1CCCN1C(C)C)[C@@H]1CC[N@@H+](CCCF)C1 ZINC001033829148 689628884 /nfs/dbraw/zinc/62/88/84/689628884.db2.gz UAMQUHWMVBJPAP-HZPDHXFCSA-N 1 3 313.461 2.142 20 0 DEADHO CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@@H]1CCN(CCCF)C1 ZINC001033829148 689628886 /nfs/dbraw/zinc/62/88/86/689628886.db2.gz UAMQUHWMVBJPAP-HZPDHXFCSA-N 1 3 313.461 2.142 20 0 DEADHO CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)[C@@H]1CCN(CCCF)C1 ZINC001033829148 689628887 /nfs/dbraw/zinc/62/88/87/689628887.db2.gz UAMQUHWMVBJPAP-HZPDHXFCSA-N 1 3 313.461 2.142 20 0 DEADHO CCN(C(=O)[C@H]1CCCN1C(C)C)[C@H]1CC[N@H+](CCCF)C1 ZINC001033829150 689629333 /nfs/dbraw/zinc/62/93/33/689629333.db2.gz UAMQUHWMVBJPAP-JKSUJKDBSA-N 1 3 313.461 2.142 20 0 DEADHO CCN(C(=O)[C@H]1CCCN1C(C)C)[C@H]1CC[N@@H+](CCCF)C1 ZINC001033829150 689629335 /nfs/dbraw/zinc/62/93/35/689629335.db2.gz UAMQUHWMVBJPAP-JKSUJKDBSA-N 1 3 313.461 2.142 20 0 DEADHO CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@H]1CCN(CCCF)C1 ZINC001033829150 689629339 /nfs/dbraw/zinc/62/93/39/689629339.db2.gz UAMQUHWMVBJPAP-JKSUJKDBSA-N 1 3 313.461 2.142 20 0 DEADHO CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)[C@H]1CCN(CCCF)C1 ZINC001033829150 689629341 /nfs/dbraw/zinc/62/93/41/689629341.db2.gz UAMQUHWMVBJPAP-JKSUJKDBSA-N 1 3 313.461 2.142 20 0 DEADHO CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCN2CC(C)C)C1 ZINC001034289268 689797254 /nfs/dbraw/zinc/79/72/54/689797254.db2.gz SJMKJUKXYYTZOZ-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCN2CC(C)C)C1 ZINC001034289268 689797255 /nfs/dbraw/zinc/79/72/55/689797255.db2.gz SJMKJUKXYYTZOZ-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)=CCN1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034491600 689871787 /nfs/dbraw/zinc/87/17/87/689871787.db2.gz VBRYMPBLTTVTOG-INIZCTEOSA-N 1 3 305.466 2.019 20 0 DEADHO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000876709332 689911530 /nfs/dbraw/zinc/91/15/30/689911530.db2.gz PAONYUHVBFOHEB-YESZJQIVSA-N 1 3 315.461 2.313 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)N(C)C)cc1 ZINC000876731324 689919292 /nfs/dbraw/zinc/91/92/92/689919292.db2.gz IIOKOXPUHRLBAI-JYJNAYRXSA-N 1 3 303.450 2.087 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000876737215 689922361 /nfs/dbraw/zinc/92/23/61/689922361.db2.gz PUZDNJFDQBLCIG-BSWAZPDLSA-N 1 3 315.461 2.312 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@H]1CC[C@H]([NH2+]CCC2CC2)CC1 ZINC001034736227 689937209 /nfs/dbraw/zinc/93/72/09/689937209.db2.gz TUWZFTQIAYIKNW-XIRDDKMYSA-N 1 3 307.482 2.288 20 0 DEADHO CC(C)(C)OC(=O)N1CCCC[C@H](CN2C[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000876817904 689946591 /nfs/dbraw/zinc/94/65/91/689946591.db2.gz OVFPTXPUTQXQNL-BZUAXINKSA-N 1 3 323.481 2.175 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876884993 689963515 /nfs/dbraw/zinc/96/35/15/689963515.db2.gz NCQDUJFTZFZLIN-WBVHZDCISA-N 1 3 321.490 2.171 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001034883161 689977865 /nfs/dbraw/zinc/97/78/65/689977865.db2.gz MXRDFAVGXHOQBD-IAGOWNOFSA-N 1 3 305.466 2.162 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccsc1)N(C)C ZINC001035039958 690018338 /nfs/dbraw/zinc/01/83/38/690018338.db2.gz PJYHAAAJMGLWPX-HZPDHXFCSA-N 1 3 323.506 2.415 20 0 DEADHO CC(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001035167557 690046961 /nfs/dbraw/zinc/04/69/61/690046961.db2.gz QPNIBFJPJURMOK-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001035167557 690046963 /nfs/dbraw/zinc/04/69/63/690046963.db2.gz QPNIBFJPJURMOK-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)(C)C1)CC2 ZINC001035226629 690065953 /nfs/dbraw/zinc/06/59/53/690065953.db2.gz IVFGRHXTCZKOTL-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CCC[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)(C)C1)CC2 ZINC001035226629 690065955 /nfs/dbraw/zinc/06/59/55/690065955.db2.gz IVFGRHXTCZKOTL-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO C[C@H](F)CC[N@@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001035231823 690067549 /nfs/dbraw/zinc/06/75/49/690067549.db2.gz SPXMFWMEBXASFK-AWEZNQCLSA-N 1 3 322.428 2.015 20 0 DEADHO C[C@H](F)CC[N@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001035231823 690067553 /nfs/dbraw/zinc/06/75/53/690067553.db2.gz SPXMFWMEBXASFK-AWEZNQCLSA-N 1 3 322.428 2.015 20 0 DEADHO O=C(C[C@H]1NCc2ccccc21)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877339985 690079602 /nfs/dbraw/zinc/07/96/02/690079602.db2.gz IKJYHDLAXBPPRN-PKOBYXMFSA-N 1 3 321.424 2.052 20 0 DEADHO O=C(C[C@H]1[NH2+]Cc2ccccc21)NC[C@@H]1Cc2ccccc2CN1 ZINC000877339985 690079605 /nfs/dbraw/zinc/07/96/05/690079605.db2.gz IKJYHDLAXBPPRN-PKOBYXMFSA-N 1 3 321.424 2.052 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000877342441 690081798 /nfs/dbraw/zinc/08/17/98/690081798.db2.gz CGCVVUWXCYCHKY-LJQANCHMSA-N 1 3 323.440 2.193 20 0 DEADHO C[C@H](C(=O)NC[C@@H]1Cc2ccccc2CN1)[C@H]([NH3+])c1ccccc1 ZINC000877347150 690084124 /nfs/dbraw/zinc/08/41/24/690084124.db2.gz RJACVQHXYTUEBV-JVPBZIDWSA-N 1 3 323.440 2.153 20 0 DEADHO CC[NH+]1CC2(C1)CCN(C(=O)c1ccccc1CN(C)C)CC2 ZINC001035859495 690195479 /nfs/dbraw/zinc/19/54/79/690195479.db2.gz UMRMTYFANBXAHF-UHFFFAOYSA-N 1 3 315.461 2.306 20 0 DEADHO CN1CC[C@H]2C[N@H+](Cc3cc(-n4ccnc4)cs3)CC[C@H]21 ZINC000877739467 690210713 /nfs/dbraw/zinc/21/07/13/690210713.db2.gz GIBJSIMKVWDVLV-XJKSGUPXSA-N 1 3 302.447 2.460 20 0 DEADHO CN1CC[C@H]2C[N@@H+](Cc3cc(-n4ccnc4)cs3)CC[C@H]21 ZINC000877739467 690210715 /nfs/dbraw/zinc/21/07/15/690210715.db2.gz GIBJSIMKVWDVLV-XJKSGUPXSA-N 1 3 302.447 2.460 20 0 DEADHO C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@H]1[NH2+]CC1CC1 ZINC001036027646 690238720 /nfs/dbraw/zinc/23/87/20/690238720.db2.gz IUPOERXWLBQUJV-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H]2CC3(CO2)CCOCC3)[C@H](C)C1 ZINC000878258033 690359955 /nfs/dbraw/zinc/35/99/55/690359955.db2.gz MLUPVKYZCJABJQ-IKGGRYGDSA-N 1 3 310.482 2.234 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C[C@@H]2CC3(CO2)CCOCC3)[C@H](C)C1 ZINC000878258033 690359957 /nfs/dbraw/zinc/35/99/57/690359957.db2.gz MLUPVKYZCJABJQ-IKGGRYGDSA-N 1 3 310.482 2.234 20 0 DEADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H]1CCC(C)(C)CO1 ZINC000878312397 690375957 /nfs/dbraw/zinc/37/59/57/690375957.db2.gz MCDVHHXGSFJYDI-KRWDZBQOSA-N 1 3 311.514 2.149 20 0 DEADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H]1CCC(C)(C)CO1 ZINC000878312397 690375962 /nfs/dbraw/zinc/37/59/62/690375962.db2.gz MCDVHHXGSFJYDI-KRWDZBQOSA-N 1 3 311.514 2.149 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@H]21 ZINC001036735232 690452060 /nfs/dbraw/zinc/45/20/60/690452060.db2.gz GNCSRSQGOFJREF-IAGOWNOFSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@H]21 ZINC001036735232 690452062 /nfs/dbraw/zinc/45/20/62/690452062.db2.gz GNCSRSQGOFJREF-IAGOWNOFSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@H]21 ZINC001036736340 690452113 /nfs/dbraw/zinc/45/21/13/690452113.db2.gz YOIXGKBYNBRMJE-IAGOWNOFSA-N 1 3 319.493 2.360 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@H]21 ZINC001036736340 690452115 /nfs/dbraw/zinc/45/21/15/690452115.db2.gz YOIXGKBYNBRMJE-IAGOWNOFSA-N 1 3 319.493 2.360 20 0 DEADHO C[C@H]1C[C@H](c2ccccc2)N(CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878611959 690455163 /nfs/dbraw/zinc/45/51/63/690455163.db2.gz DVLQBOAKAKRHCZ-MAUKXSAKSA-N 1 3 315.461 2.280 20 0 DEADHO Cc1ccccc1C(C)(C)NCC(=O)NC1CC[NH+](C)CC1 ZINC000878652587 690466977 /nfs/dbraw/zinc/46/69/77/690466977.db2.gz RSFLFNYYETXZOP-UHFFFAOYSA-N 1 3 303.450 2.030 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@@H]21 ZINC001036853537 690499844 /nfs/dbraw/zinc/49/98/44/690499844.db2.gz WAINJLIXUKHLDY-ROUUACIJSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@@H]21 ZINC001036853537 690499847 /nfs/dbraw/zinc/49/98/47/690499847.db2.gz WAINJLIXUKHLDY-ROUUACIJSA-N 1 3 321.509 2.297 20 0 DEADHO C[NH+]1CCC2(CCN(C[C@@H](O)c3cc(F)ccc3F)C2)CC1 ZINC000878864447 690516790 /nfs/dbraw/zinc/51/67/90/690516790.db2.gz BZAKBEOBARQPPT-MRXNPFEDSA-N 1 3 310.388 2.416 20 0 DEADHO COc1ncc(CN2CCC3(CC2)CC[NH+](C)CC3)c(C)n1 ZINC000879251232 690603072 /nfs/dbraw/zinc/60/30/72/690603072.db2.gz RAVQBBVRDKQAQH-UHFFFAOYSA-N 1 3 304.438 2.101 20 0 DEADHO CC[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CC1CC1 ZINC001037862253 690626109 /nfs/dbraw/zinc/62/61/09/690626109.db2.gz VBJBVCFOTIWIGL-DOTOQJQBSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H]3CSC[C@@H]3C2)CC1 ZINC000879563584 690671227 /nfs/dbraw/zinc/67/12/27/690671227.db2.gz CZORXVZDLHJJCR-IRXDYDNUSA-N 1 3 311.539 2.087 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H]3CSC[C@@H]3C2)CC1 ZINC000879563584 690671230 /nfs/dbraw/zinc/67/12/30/690671230.db2.gz CZORXVZDLHJJCR-IRXDYDNUSA-N 1 3 311.539 2.087 20 0 DEADHO O=C(NC[C@@H]1CCN1CCC1CCCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001038259437 690760207 /nfs/dbraw/zinc/76/02/07/690760207.db2.gz AJPQGSMMLQNENJ-ROUUACIJSA-N 1 3 319.493 2.099 20 0 DEADHO CC(C)CN1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001038348974 690791084 /nfs/dbraw/zinc/79/10/84/690791084.db2.gz DRRYCCHXFXDJGG-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)CN1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001038348974 690791086 /nfs/dbraw/zinc/79/10/86/690791086.db2.gz DRRYCCHXFXDJGG-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO O=C(NC[C@@H]1CCN1CC1CCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001038353410 690792865 /nfs/dbraw/zinc/79/28/65/690792865.db2.gz NBKMEBRTCCHAPZ-ZWKOTPCHSA-N 1 3 319.493 2.384 20 0 DEADHO O=C(NC[C@@H]1CCN1CC1CCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001038353410 690792868 /nfs/dbraw/zinc/79/28/68/690792868.db2.gz NBKMEBRTCCHAPZ-ZWKOTPCHSA-N 1 3 319.493 2.384 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN1CCC1CC1 ZINC001038445953 690824643 /nfs/dbraw/zinc/82/46/43/690824643.db2.gz WPPVZSFCZOLHEG-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN1CCC1CC1 ZINC001038445953 690824647 /nfs/dbraw/zinc/82/46/47/690824647.db2.gz WPPVZSFCZOLHEG-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)CN1CC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038712758 690903802 /nfs/dbraw/zinc/90/38/02/690903802.db2.gz PNKQQVIJRBPVKG-GOSISDBHSA-N 1 3 317.477 2.251 20 0 DEADHO CC(C)N(C)C[C@H](O)C[N@H+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000880553666 690926291 /nfs/dbraw/zinc/92/62/91/690926291.db2.gz SAQHMTPVOBEKHR-MSOLQXFVSA-N 1 3 317.477 2.172 20 0 DEADHO CC(C)N(C)C[C@H](O)C[N@@H+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000880553666 690926294 /nfs/dbraw/zinc/92/62/94/690926294.db2.gz SAQHMTPVOBEKHR-MSOLQXFVSA-N 1 3 317.477 2.172 20 0 DEADHO CC(C)CCN1CC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001038873274 690951774 /nfs/dbraw/zinc/95/17/74/690951774.db2.gz SCOJXBBIAMPYRY-QGZVFWFLSA-N 1 3 309.498 2.343 20 0 DEADHO CCCCN1CC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001038896080 690959750 /nfs/dbraw/zinc/95/97/50/690959750.db2.gz JOENNRJGLFFLCT-KRWDZBQOSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001039135376 691029781 /nfs/dbraw/zinc/02/97/81/691029781.db2.gz CQUZQCNFNOWPAZ-KRWDZBQOSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[N@H+]1CC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001039135376 691029783 /nfs/dbraw/zinc/02/97/83/691029783.db2.gz CQUZQCNFNOWPAZ-KRWDZBQOSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@H](C(=O)N1CCC([C@H]2CC[N@@H+](C(C)C)C2)CC1)N(C)C ZINC001039136456 691031090 /nfs/dbraw/zinc/03/10/90/691031090.db2.gz MEXNCQICBYBMSJ-DLBZAZTESA-N 1 3 309.498 2.296 20 0 DEADHO CC[C@H](C(=O)N1CCC([C@H]2CC[N@H+](C(C)C)C2)CC1)N(C)C ZINC001039136456 691031092 /nfs/dbraw/zinc/03/10/92/691031092.db2.gz MEXNCQICBYBMSJ-DLBZAZTESA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001039165787 691037559 /nfs/dbraw/zinc/03/75/59/691037559.db2.gz SWYYHWIYMUZMOS-FUHWJXTLSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001039165787 691037560 /nfs/dbraw/zinc/03/75/60/691037560.db2.gz SWYYHWIYMUZMOS-FUHWJXTLSA-N 1 3 321.509 2.297 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@H]2CC[N@H+](CC)C2)CC1 ZINC001039183250 691042634 /nfs/dbraw/zinc/04/26/34/691042634.db2.gz YFLIXQNXGPYAOG-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@H]2CC[N@@H+](CC)C2)CC1 ZINC001039183250 691042637 /nfs/dbraw/zinc/04/26/37/691042637.db2.gz YFLIXQNXGPYAOG-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039237495 691064005 /nfs/dbraw/zinc/06/40/05/691064005.db2.gz INUBNLVBKKAMAK-GOEBONIOSA-N 1 3 304.438 2.065 20 0 DEADHO CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039237495 691064006 /nfs/dbraw/zinc/06/40/06/691064006.db2.gz INUBNLVBKKAMAK-GOEBONIOSA-N 1 3 304.438 2.065 20 0 DEADHO CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C1CC1)N(C)C ZINC001039288950 691075725 /nfs/dbraw/zinc/07/57/25/691075725.db2.gz LBGXLLKGNMYPJT-NPYXIHBLSA-N 1 3 307.482 2.237 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001039398493 691097559 /nfs/dbraw/zinc/09/75/59/691097559.db2.gz ZAAHFFVQSGKELH-IKGGRYGDSA-N 1 3 307.482 2.192 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001039398493 691097562 /nfs/dbraw/zinc/09/75/62/691097562.db2.gz ZAAHFFVQSGKELH-IKGGRYGDSA-N 1 3 307.482 2.192 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3C=CCC3)CC2)CC1 ZINC000881497457 691109314 /nfs/dbraw/zinc/10/93/14/691109314.db2.gz BIAXBILXOYIYAU-INIZCTEOSA-N 1 3 319.493 2.265 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(C)C)C1 ZINC001039623136 691135422 /nfs/dbraw/zinc/13/54/22/691135422.db2.gz YUIMPZKDZFWTDC-KURKYZTESA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(C)C)C1 ZINC001039623136 691135423 /nfs/dbraw/zinc/13/54/23/691135423.db2.gz YUIMPZKDZFWTDC-KURKYZTESA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001040239898 691218412 /nfs/dbraw/zinc/21/84/12/691218412.db2.gz ALFRQZJPJVVEIB-PKOBYXMFSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001040239898 691218414 /nfs/dbraw/zinc/21/84/14/691218414.db2.gz ALFRQZJPJVVEIB-PKOBYXMFSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2)N(C)C ZINC001040380656 691239938 /nfs/dbraw/zinc/23/99/38/691239938.db2.gz SJPDOFMNSJMNCO-IEBWSBKVSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CC1)C2)N(C)C ZINC001040380656 691239940 /nfs/dbraw/zinc/23/99/40/691239940.db2.gz SJPDOFMNSJMNCO-IEBWSBKVSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001040396999 691242596 /nfs/dbraw/zinc/24/25/96/691242596.db2.gz XNTRUFVEJSQIPQ-MJGOQNOKSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001040396999 691242597 /nfs/dbraw/zinc/24/25/97/691242597.db2.gz XNTRUFVEJSQIPQ-MJGOQNOKSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CCC1CC1)C2)N(C)C ZINC001040398038 691242836 /nfs/dbraw/zinc/24/28/36/691242836.db2.gz CNTQXKCPAMRETK-PKOBYXMFSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC1CC1)C2)N(C)C ZINC001040398038 691242838 /nfs/dbraw/zinc/24/28/38/691242838.db2.gz CNTQXKCPAMRETK-PKOBYXMFSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N1CCC2(C1)CC[NH+](CC1CCC1)CC2)N(C)C ZINC001040745488 691284741 /nfs/dbraw/zinc/28/47/41/691284741.db2.gz MKWLXILXTCGJNC-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO COC[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)[C@@H]1CCCOC1 ZINC000883237689 691463451 /nfs/dbraw/zinc/46/34/51/691463451.db2.gz IEXQIYDOYPIHDR-KSZLIROESA-N 1 3 310.482 2.140 20 0 DEADHO COC(=O)c1cc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)n(C)c1C ZINC000883343475 691485102 /nfs/dbraw/zinc/48/51/02/691485102.db2.gz NYGVNPIFXZFHNC-CYBMUJFWSA-N 1 3 307.438 2.083 20 0 DEADHO CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001042063268 691495183 /nfs/dbraw/zinc/49/51/83/691495183.db2.gz TYHUBKXGTPKPDD-CVEARBPZSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001042063268 691495185 /nfs/dbraw/zinc/49/51/85/691495185.db2.gz TYHUBKXGTPKPDD-CVEARBPZSA-N 1 3 307.482 2.194 20 0 DEADHO CC1(C)C[NH2+]C[C@H]1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000884178517 691675058 /nfs/dbraw/zinc/67/50/58/691675058.db2.gz NJHOQASFQRZOBK-UONOGXRCSA-N 1 3 321.490 2.247 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@H]([NH3+])CC2CC2)N(C)C)cc1 ZINC000884178052 691675064 /nfs/dbraw/zinc/67/50/64/691675064.db2.gz BLILZGIZWYOHQL-SJORKVTESA-N 1 3 303.450 2.095 20 0 DEADHO N[C@H](CC1CC1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000884181458 691676237 /nfs/dbraw/zinc/67/62/37/691676237.db2.gz GQGAKXPAGJRIKS-GOSISDBHSA-N 1 3 315.461 2.416 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H]([NH3+])CC2CC2)N2CCCC2)cc1 ZINC000884203734 691681850 /nfs/dbraw/zinc/68/18/50/691681850.db2.gz CXZPPWBNTJQKPH-MSOLQXFVSA-N 1 3 315.461 2.376 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CC2CCC2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001044744314 691881185 /nfs/dbraw/zinc/88/11/85/691881185.db2.gz OFZSKKDPJUCPTC-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC2CCCC2)CCN1C(=O)CN1CCCC1 ZINC001044857600 691898199 /nfs/dbraw/zinc/89/81/99/691898199.db2.gz LPEKLUSVIXXYAS-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2CCCN2C)cc1 ZINC001044959861 691920222 /nfs/dbraw/zinc/92/02/22/691920222.db2.gz PEAZAVXUBDLHPT-ZWKOTPCHSA-N 1 3 315.461 2.170 20 0 DEADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]C/C=C/c2cccc(F)c2)C1 ZINC000885970627 691974466 /nfs/dbraw/zinc/97/44/66/691974466.db2.gz FSGRLCLOLFTCDO-BAXHPOPBSA-N 1 3 319.424 2.016 20 0 DEADHO NC(=O)[C@H]1CCCN(CCC[NH2+]C/C=C\c2cccc(F)c2)C1 ZINC000885970630 691974508 /nfs/dbraw/zinc/97/45/08/691974508.db2.gz FSGRLCLOLFTCDO-SKKUGFDVSA-N 1 3 319.424 2.016 20 0 DEADHO CN1CCC([NH+]2CCC(N[C@H]3CCc4cccnc43)CC2)CC1 ZINC000886519645 692099470 /nfs/dbraw/zinc/09/94/70/692099470.db2.gz ZNPVSXFNQOFOMD-SFHVURJKSA-N 1 3 314.477 2.217 20 0 DEADHO CC(C)[NH+]1CCC(NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)CC1 ZINC000886771939 692188541 /nfs/dbraw/zinc/18/85/41/692188541.db2.gz QGUFOGNUWXMKJQ-UOVPBQLFSA-N 1 3 310.482 2.421 20 0 DEADHO COCCSCCCN1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134184 692288080 /nfs/dbraw/zinc/28/80/80/692288080.db2.gz DYRQMNHHASHZCL-OAHLLOKOSA-N 1 3 309.479 2.362 20 0 DEADHO CC(C)[NH+]1CCC([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001047258854 692403476 /nfs/dbraw/zinc/40/34/76/692403476.db2.gz HUQJCGYJNRDSPL-INIZCTEOSA-N 1 3 318.465 2.311 20 0 DEADHO CC(C)[N@H+]1C[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC001048821236 692704090 /nfs/dbraw/zinc/70/40/90/692704090.db2.gz WMLBHNNFMJEMCR-IYBDPMFKSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC001048821236 692704092 /nfs/dbraw/zinc/70/40/92/692704092.db2.gz WMLBHNNFMJEMCR-IYBDPMFKSA-N 1 3 307.482 2.050 20 0 DEADHO CCC(CC)C[N@H+]1C[C@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2C1 ZINC001049066597 692755076 /nfs/dbraw/zinc/75/50/76/692755076.db2.gz IGFMFXQDRONXDY-BBWFWOEESA-N 1 3 309.498 2.153 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2C1 ZINC001049066597 692755080 /nfs/dbraw/zinc/75/50/80/692755080.db2.gz IGFMFXQDRONXDY-BBWFWOEESA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC001050047099 693090644 /nfs/dbraw/zinc/09/06/44/693090644.db2.gz RJEYLYHYTAJJQI-RCCFBDPRSA-N 1 3 319.493 2.192 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC001050047099 693090647 /nfs/dbraw/zinc/09/06/47/693090647.db2.gz RJEYLYHYTAJJQI-RCCFBDPRSA-N 1 3 319.493 2.192 20 0 DEADHO C[C@@H](NCc1ccc(N2CC[NH+](C)CC2)nc1)c1ccns1 ZINC000924629032 693162691 /nfs/dbraw/zinc/16/26/91/693162691.db2.gz YZQNXCXUWPMOTC-CYBMUJFWSA-N 1 3 317.462 2.141 20 0 DEADHO CC(C)CCN1CCC([NH2+]CCCN2CCCCC2=O)CC1 ZINC000924989690 693210820 /nfs/dbraw/zinc/21/08/20/693210820.db2.gz SIGXEISACBDHSI-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@H]1[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)CO[C@H]1C ZINC000925224181 693243223 /nfs/dbraw/zinc/24/32/23/693243223.db2.gz YGRXACANZFOURC-DOXZYTNZSA-N 1 3 318.461 2.156 20 0 DEADHO CC[NH+]1CCC2(CN(C(=O)c3ccccc3CN(C)C)C2)CC1 ZINC001050766474 693246777 /nfs/dbraw/zinc/24/67/77/693246777.db2.gz PWWLATNXNIDUDE-UHFFFAOYSA-N 1 3 315.461 2.306 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000932276368 694586594 /nfs/dbraw/zinc/58/65/94/694586594.db2.gz UDJLBWHNVQHWBK-SJORKVTESA-N 1 3 307.482 2.336 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CCN1C ZINC000925339216 693259709 /nfs/dbraw/zinc/25/97/09/693259709.db2.gz STJNJPRBLCJXEE-CVEARBPZSA-N 1 3 324.513 2.423 20 0 DEADHO CC(C)CCN1CCC([NH2+]CCc2cccc(C(N)=O)c2)CC1 ZINC000925362413 693262267 /nfs/dbraw/zinc/26/22/67/693262267.db2.gz DVKBHJZWBHTRSI-UHFFFAOYSA-N 1 3 317.477 2.428 20 0 DEADHO CC1CCN([C@@H](CN[C@H]2C[NH2+]CCOC2)c2ccccc2)CC1 ZINC000925491063 693280942 /nfs/dbraw/zinc/28/09/42/693280942.db2.gz DACWOIPBKNZIBR-OALUTQOASA-N 1 3 317.477 2.038 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@H]1COc2ccccc2O1 ZINC000925538673 693292345 /nfs/dbraw/zinc/29/23/45/693292345.db2.gz CYPONXJQLHKNSO-ITOLWWRJSA-N 1 3 302.418 2.146 20 0 DEADHO O=C(CCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)Nc1ccccn1 ZINC000925598303 693306706 /nfs/dbraw/zinc/30/67/06/693306706.db2.gz UZLRHBZLWQUBOJ-JKSUJKDBSA-N 1 3 316.449 2.168 20 0 DEADHO [NH3+]CCC[C@@H](NC[C@H]1CCCCS1(=O)=O)c1ccccc1 ZINC000925635380 693314057 /nfs/dbraw/zinc/31/40/57/693314057.db2.gz QFVPPINHWMYJSQ-HZPDHXFCSA-N 1 3 310.463 2.024 20 0 DEADHO N[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](C(=O)OCc3ccccc3)C2)C12CCC2 ZINC000925729416 693331417 /nfs/dbraw/zinc/33/14/17/693331417.db2.gz PWFVLKJMAQWSLC-QBPKDAKJSA-N 1 3 314.429 2.368 20 0 DEADHO CC1(C)[C@@H](NC[C@H]2CCC3(CCOCC3)CO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925735814 693331828 /nfs/dbraw/zinc/33/18/28/693331828.db2.gz IOYWHHMTUQRUIH-NCOADZHNSA-N 1 3 322.493 2.328 20 0 DEADHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCc2ccc(N3CCNC3=O)cc2)C1 ZINC000925758638 693336869 /nfs/dbraw/zinc/33/68/69/693336869.db2.gz FXIOGCLPTRXRAR-LSDHHAIUSA-N 1 3 316.449 2.212 20 0 DEADHO C[C@@H](CC(=O)N1CCCCCC1)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925843493 693351807 /nfs/dbraw/zinc/35/18/07/693351807.db2.gz QJNNFBJNSALTMF-LZLYRXPVSA-N 1 3 307.482 2.289 20 0 DEADHO CCOC(=O)N1CC[C@@H]([NH2+]C2CCN(CCC(C)C)CC2)C1 ZINC000926200733 693413907 /nfs/dbraw/zinc/41/39/07/693413907.db2.gz JFERHQHIUOVBBO-MRXNPFEDSA-N 1 3 311.470 2.317 20 0 DEADHO CC(C)(C(=O)N[C@H]1CCC[N@H+](CCCF)CC1)N1CCCC1 ZINC001052620523 693581024 /nfs/dbraw/zinc/58/10/24/693581024.db2.gz PNUXAGDRKUUJTK-HNNXBMFYSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)(C(=O)N[C@H]1CCC[N@@H+](CCCF)CC1)N1CCCC1 ZINC001052620523 693581029 /nfs/dbraw/zinc/58/10/29/693581029.db2.gz PNUXAGDRKUUJTK-HNNXBMFYSA-N 1 3 313.461 2.191 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2CCC[N@H+](CC3CCCC3)CC2)C1 ZINC001052703222 693599051 /nfs/dbraw/zinc/59/90/51/693599051.db2.gz RLBNUQZQQWLLGJ-WMZOPIPTSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2CCC[N@@H+](CC3CCCC3)CC2)C1 ZINC001052703222 693599054 /nfs/dbraw/zinc/59/90/54/693599054.db2.gz RLBNUQZQQWLLGJ-WMZOPIPTSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053037901 693674506 /nfs/dbraw/zinc/67/45/06/693674506.db2.gz CJFZWZLSJNEROW-CVEARBPZSA-N 1 3 318.465 2.311 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053037901 693674509 /nfs/dbraw/zinc/67/45/09/693674509.db2.gz CJFZWZLSJNEROW-CVEARBPZSA-N 1 3 318.465 2.311 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CC[NH+](C[C@@H](C)CC)CC2 ZINC001402495976 1162370912 /nfs/dbraw/zinc/37/09/12/1162370912.db2.gz OMSKBUFDJUAHHK-INIZCTEOSA-N 1 3 309.498 2.299 20 0 DEADHO CCc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H](CC)N(C)C)C2)c1 ZINC001402519947 1162378221 /nfs/dbraw/zinc/37/82/21/1162378221.db2.gz SBZDWRQTYWTKEP-BZSNNMDCSA-N 1 3 317.477 2.326 20 0 DEADHO CC[C@H](C)C[NH2+]C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001402708449 1162446789 /nfs/dbraw/zinc/44/67/89/1162446789.db2.gz YRJUKXXLFCBIEB-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001402817698 1162482503 /nfs/dbraw/zinc/48/25/03/1162482503.db2.gz IJYGKEGTTMAVQG-HOTGVXAUSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001402817698 1162482506 /nfs/dbraw/zinc/48/25/06/1162482506.db2.gz IJYGKEGTTMAVQG-HOTGVXAUSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1([NH2+]Cc2ccccc2)CC1)N(C)C ZINC001380100798 1152749812 /nfs/dbraw/zinc/74/98/12/1152749812.db2.gz PVOVRNAMMFPOBZ-INIZCTEOSA-N 1 3 303.450 2.011 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CC1)N(C)C ZINC001380104127 1152750373 /nfs/dbraw/zinc/75/03/73/1152750373.db2.gz QBMLGGOYLICUGC-GOEBONIOSA-N 1 3 303.450 2.326 20 0 DEADHO C[NH+](C)CCc1cccc(C(=O)NCCN2CCCCC2)c1 ZINC001361826460 1152751805 /nfs/dbraw/zinc/75/18/05/1152751805.db2.gz HBQFHHRIRGXNNU-UHFFFAOYSA-N 1 3 303.450 2.006 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CCC(C)(C)C)CCN1C(=O)Cc1c[nH]cn1 ZINC001380265489 1152778284 /nfs/dbraw/zinc/77/82/84/1152778284.db2.gz IYFMJYJIJRUSPX-ZIAGYGMSSA-N 1 3 306.454 2.358 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@H]1c2ccccc2CCN1C(C)C ZINC001381244244 1152965821 /nfs/dbraw/zinc/96/58/21/1152965821.db2.gz BEXXVLWPCMPAAZ-SFHVURJKSA-N 1 3 317.477 2.452 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@H]1c2ccccc2CCN1C(C)C ZINC001381244244 1152965823 /nfs/dbraw/zinc/96/58/23/1152965823.db2.gz BEXXVLWPCMPAAZ-SFHVURJKSA-N 1 3 317.477 2.452 20 0 DEADHO CCN1CCCN(C(=O)c2cccc(CC[NH+](C)C)c2)[C@@H](C)C1 ZINC001362976961 1153168669 /nfs/dbraw/zinc/16/86/69/1153168669.db2.gz KMBOWQGOJVUEHO-INIZCTEOSA-N 1 3 317.477 2.347 20 0 DEADHO Cc1cc(C)cc(CN2CC([C@H](C)NC(=O)CC[NH+](C)C)C2)c1 ZINC001381799834 1153228793 /nfs/dbraw/zinc/22/87/93/1153228793.db2.gz AQRASCXTPPKNPI-INIZCTEOSA-N 1 3 317.477 2.192 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC001363162381 1153248346 /nfs/dbraw/zinc/24/83/46/1153248346.db2.gz UMTWUTZNBIJJJE-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC001363162381 1153248349 /nfs/dbraw/zinc/24/83/49/1153248349.db2.gz UMTWUTZNBIJJJE-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO CCN1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C(C)(C)C1 ZINC001381865738 1153255601 /nfs/dbraw/zinc/25/56/01/1153255601.db2.gz GNDDXAOOSFMZAG-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCC3CC3)C[C@@H]2C1 ZINC001381921513 1153274932 /nfs/dbraw/zinc/27/49/32/1153274932.db2.gz BHGADLMHZXTYMJ-FGTMMUONSA-N 1 3 321.509 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2C1 ZINC001381921513 1153274939 /nfs/dbraw/zinc/27/49/39/1153274939.db2.gz BHGADLMHZXTYMJ-FGTMMUONSA-N 1 3 321.509 2.345 20 0 DEADHO CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)CC(C)(C)C)C[C@@H]2C1 ZINC001381924670 1153275772 /nfs/dbraw/zinc/27/57/72/1153275772.db2.gz HRSRVEIIRKNOTL-XHSDSOJGSA-N 1 3 309.498 2.201 20 0 DEADHO CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)CC(C)(C)C)C[C@@H]2C1 ZINC001381924670 1153275775 /nfs/dbraw/zinc/27/57/75/1153275775.db2.gz HRSRVEIIRKNOTL-XHSDSOJGSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)C/C=C/Cl)CC2)CC[N@@H+]1C ZINC001381979390 1153301627 /nfs/dbraw/zinc/30/16/27/1153301627.db2.gz KUTYAPOFDMMRKK-DJRXTCLHSA-N 1 3 313.873 2.002 20 0 DEADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)C/C=C/Cl)CC2)CC[N@H+]1C ZINC001381979390 1153301632 /nfs/dbraw/zinc/30/16/32/1153301632.db2.gz KUTYAPOFDMMRKK-DJRXTCLHSA-N 1 3 313.873 2.002 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]1CC[NH+]1CCC(C)CC1)N(C)C ZINC001363272728 1153306651 /nfs/dbraw/zinc/30/66/51/1153306651.db2.gz LHYCWCGSRBRAKK-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]CC1CCC2(CC2)CC1)N(C)C ZINC001402928031 1162546811 /nfs/dbraw/zinc/54/68/11/1162546811.db2.gz XJSPMYPZDFFUTE-GDBMZVCRSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1cccc(C[NH2+][C@H](C)CN(C)C(=O)CN(C)C2CCC2)c1 ZINC001382088365 1153352568 /nfs/dbraw/zinc/35/25/68/1153352568.db2.gz HQJWBMXEPKLJRO-MRXNPFEDSA-N 1 3 317.477 2.416 20 0 DEADHO C[C@@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1cccc(F)c1 ZINC001382112282 1153361055 /nfs/dbraw/zinc/36/10/55/1153361055.db2.gz AFZHOWNPVIPDFC-CABCVRRESA-N 1 3 321.440 2.104 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)[C@H]1C ZINC001382299331 1153415878 /nfs/dbraw/zinc/41/58/78/1153415878.db2.gz AARZGNKETVSWIM-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO CC1CCN(CC(=O)N2[C@@H](C)CCC[C@H]2CC[NH+](C)C)CC1 ZINC001363492733 1153433075 /nfs/dbraw/zinc/43/30/75/1153433075.db2.gz RJGCCQJCEZLZEJ-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@@H]1COC3(CCCCC3)O1)C2 ZINC001363795032 1153633845 /nfs/dbraw/zinc/63/38/45/1153633845.db2.gz YNJBMZSKGMAUPD-IAGOWNOFSA-N 1 3 308.466 2.480 20 0 DEADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@@H]1COC3(CCCCC3)O1)C2 ZINC001363795032 1153633850 /nfs/dbraw/zinc/63/38/50/1153633850.db2.gz YNJBMZSKGMAUPD-IAGOWNOFSA-N 1 3 308.466 2.480 20 0 DEADHO CSC[C@@H](O)CN1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001363816087 1153647008 /nfs/dbraw/zinc/64/70/08/1153647008.db2.gz RKCIPPCUCPVLGZ-HOTGVXAUSA-N 1 3 300.512 2.297 20 0 DEADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001363846233 1153664445 /nfs/dbraw/zinc/66/44/45/1153664445.db2.gz CKPUYBFUWPKETR-PKOBYXMFSA-N 1 3 320.477 2.490 20 0 DEADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001363846233 1153664449 /nfs/dbraw/zinc/66/44/49/1153664449.db2.gz CKPUYBFUWPKETR-PKOBYXMFSA-N 1 3 320.477 2.490 20 0 DEADHO C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCCN(CCC(F)(F)F)C1 ZINC001370985074 1155662012 /nfs/dbraw/zinc/66/20/12/1155662012.db2.gz ZGLWDVQFNGKDKJ-STQMWFEESA-N 1 3 323.403 2.107 20 0 DEADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H](C)c1ccccc1 ZINC001390391425 1155695424 /nfs/dbraw/zinc/69/54/24/1155695424.db2.gz BEFCRXHATWDYRR-GJZGRUSLSA-N 1 3 303.450 2.326 20 0 DEADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccc(F)cc1 ZINC001390476240 1155747690 /nfs/dbraw/zinc/74/76/90/1155747690.db2.gz GMDUCELFRVLIRI-CQSZACIVSA-N 1 3 323.456 2.398 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001371258047 1155808365 /nfs/dbraw/zinc/80/83/65/1155808365.db2.gz UHOOLVSVKLSDHK-CZUORRHYSA-N 1 3 309.429 2.069 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001390632819 1155820831 /nfs/dbraw/zinc/82/08/31/1155820831.db2.gz BIFYFMNLIVMVEF-GOSISDBHSA-N 1 3 317.477 2.450 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001390632819 1155820835 /nfs/dbraw/zinc/82/08/35/1155820835.db2.gz BIFYFMNLIVMVEF-GOSISDBHSA-N 1 3 317.477 2.450 20 0 DEADHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)NCc1ccsc1 ZINC001371476288 1155858347 /nfs/dbraw/zinc/85/83/47/1155858347.db2.gz TVFIFWIKXGBXHE-AWEZNQCLSA-N 1 3 309.479 2.218 20 0 DEADHO C[C@H]1CC[N@H+](CC(=O)NCCN(C)Cc2ccc(Cl)cc2)C1 ZINC001390820152 1155883078 /nfs/dbraw/zinc/88/30/78/1155883078.db2.gz RWGUYCVQPHZKAD-AWEZNQCLSA-N 1 3 323.868 2.230 20 0 DEADHO C[C@H]1CC[N@@H+](CC(=O)NCCN(C)Cc2ccc(Cl)cc2)C1 ZINC001390820152 1155883079 /nfs/dbraw/zinc/88/30/79/1155883079.db2.gz RWGUYCVQPHZKAD-AWEZNQCLSA-N 1 3 323.868 2.230 20 0 DEADHO CN(CCNC(=O)CC[NH+]1CCCCC1)Cc1ccccc1 ZINC001390856570 1155893076 /nfs/dbraw/zinc/89/30/76/1155893076.db2.gz DWMXAFVMTFLTAK-UHFFFAOYSA-N 1 3 303.450 2.111 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccns2)C1 ZINC001371659778 1155897231 /nfs/dbraw/zinc/89/72/31/1155897231.db2.gz OTHAYKQOLQXBQN-KGLIPLIRSA-N 1 3 324.494 2.000 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CCCN1CCCF)[NH+]1CCCC1 ZINC001372575293 1156558839 /nfs/dbraw/zinc/55/88/39/1156558839.db2.gz LYEVRIOQLSBNBV-HZPDHXFCSA-N 1 3 313.461 2.047 20 0 DEADHO Cc1cc(CN2CC[C@H](N(C)C(=O)CC[NH+](C)C)C2)c(C)s1 ZINC001391619427 1156608791 /nfs/dbraw/zinc/60/87/91/1156608791.db2.gz JAJRPEVTZSIDFS-INIZCTEOSA-N 1 3 323.506 2.349 20 0 DEADHO CC[C@H](F)CN1CC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001372685005 1156682236 /nfs/dbraw/zinc/68/22/36/1156682236.db2.gz VAXAMUCFANMNAS-HOTGVXAUSA-N 1 3 313.461 2.049 20 0 DEADHO CCC[N@H+](CCNC(=O)C1(N(C)C)CCC1)CC1CCCC1 ZINC001372713150 1156702803 /nfs/dbraw/zinc/70/28/03/1156702803.db2.gz WPHGVIVBZDBATC-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CCC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)CC1CCCC1 ZINC001372713150 1156702823 /nfs/dbraw/zinc/70/28/23/1156702823.db2.gz WPHGVIVBZDBATC-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CN(CC[N@H+](C)CCCC1CCCC1)C(=O)CN1CCCC1 ZINC001392327703 1157022473 /nfs/dbraw/zinc/02/24/73/1157022473.db2.gz SGVXNMYZRXESIF-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CN(CC[N@@H+](C)CCCC1CCCC1)C(=O)CN1CCCC1 ZINC001392327703 1157022479 /nfs/dbraw/zinc/02/24/79/1157022479.db2.gz SGVXNMYZRXESIF-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001373407523 1157033585 /nfs/dbraw/zinc/03/35/85/1157033585.db2.gz RMKDGDAHZFGDEN-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001373407523 1157033593 /nfs/dbraw/zinc/03/35/93/1157033593.db2.gz RMKDGDAHZFGDEN-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001373407523 1157033600 /nfs/dbraw/zinc/03/36/00/1157033600.db2.gz RMKDGDAHZFGDEN-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)NCC1C[NH+]([C@H]2CCc3ccccc32)C1)N(C)C ZINC001373517506 1157078990 /nfs/dbraw/zinc/07/89/90/1157078990.db2.gz SDXXFCIJEKYJSG-MSOLQXFVSA-N 1 3 315.461 2.062 20 0 DEADHO CC[C@H](C(=O)NCC1C[NH+]([C@H](C)c2ccccc2)C1)N(C)C ZINC001373548741 1157091309 /nfs/dbraw/zinc/09/13/09/1157091309.db2.gz CHVBLGAJTNDPOW-RHSMWYFYSA-N 1 3 303.450 2.136 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[NH2+]CC1CCC(C)CC1 ZINC001392530404 1157094069 /nfs/dbraw/zinc/09/40/69/1157094069.db2.gz JDZPOBOSRFNKGY-JVWICGRDSA-N 1 3 306.454 2.181 20 0 DEADHO Cc1cccc(C)c1C[NH+]1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001373560913 1157094478 /nfs/dbraw/zinc/09/44/78/1157094478.db2.gz PRMVTJVNYLONFA-UHFFFAOYSA-N 1 3 317.477 2.192 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]Cc1ccccc1C1CC1 ZINC001392536163 1157097213 /nfs/dbraw/zinc/09/72/13/1157097213.db2.gz LNEBRIUSBSQTQH-OAHLLOKOSA-N 1 3 317.477 2.499 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NC[C@H]1CCCCC[N@@H+]1CC ZINC001403283619 1162838015 /nfs/dbraw/zinc/83/80/15/1162838015.db2.gz JLZPTCNBZFFBSN-CABCVRRESA-N 1 3 301.450 2.047 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NC[C@H]1CCCCC[N@H+]1CC ZINC001403283619 1162838017 /nfs/dbraw/zinc/83/80/17/1162838017.db2.gz JLZPTCNBZFFBSN-CABCVRRESA-N 1 3 301.450 2.047 20 0 DEADHO CCc1ccc(CN2CC([C@H](C)NC(=O)CC[NH+](C)C)C2)cc1 ZINC001403321703 1162850126 /nfs/dbraw/zinc/85/01/26/1162850126.db2.gz KHKQNPFZKYANPV-HNNXBMFYSA-N 1 3 317.477 2.137 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001374014115 1157545338 /nfs/dbraw/zinc/54/53/38/1157545338.db2.gz NYOPOZJIUKAJEM-GJZGRUSLSA-N 1 3 315.477 2.341 20 0 DEADHO C[C@@H](C(=O)NCC1([NH2+]CC2CCC2)CC1)N1CCCCCC1 ZINC001392944276 1157556496 /nfs/dbraw/zinc/55/64/96/1157556496.db2.gz WIRWDBMUCYZTAK-HNNXBMFYSA-N 1 3 307.482 2.289 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccsc2)C1)N(C)C ZINC001403428996 1162879874 /nfs/dbraw/zinc/87/98/74/1162879874.db2.gz UHKDWLHYRGLYEZ-JYJNAYRXSA-N 1 3 323.506 2.319 20 0 DEADHO Cc1cc(CN2CCC(C)(NC(=O)CC[NH+](C)C)CC2)cs1 ZINC001393067568 1157651265 /nfs/dbraw/zinc/65/12/65/1157651265.db2.gz IOHCBBWWSUAMPK-UHFFFAOYSA-N 1 3 323.506 2.479 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001403458602 1162889365 /nfs/dbraw/zinc/88/93/65/1162889365.db2.gz MJCQTSUDVCPENB-JCNLHEQBSA-N 1 3 321.440 2.152 20 0 DEADHO C[C@]1(NC(=O)C[NH+]2CCCC2)CCN(Cc2cccc(F)c2)C1 ZINC001393126275 1157707568 /nfs/dbraw/zinc/70/75/68/1157707568.db2.gz XZWAQLHZYMZVTG-SFHVURJKSA-N 1 3 319.424 2.002 20 0 DEADHO CC[C@H](C(=O)NC[C@]1(C)CCC[N@H+](CC2CCC2)C1)N(C)C ZINC001393205089 1157761386 /nfs/dbraw/zinc/76/13/86/1157761386.db2.gz LCEQZFSLEUAUAZ-AEFFLSMTSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)NC[C@]1(C)CCC[N@@H+](CC2CCC2)C1)N(C)C ZINC001393205089 1157761397 /nfs/dbraw/zinc/76/13/97/1157761397.db2.gz LCEQZFSLEUAUAZ-AEFFLSMTSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(C)ccc1F)N(C)C ZINC001374279241 1157799634 /nfs/dbraw/zinc/79/96/34/1157799634.db2.gz JANWUOACWKQLBF-YOEHRIQHSA-N 1 3 323.456 2.411 20 0 DEADHO C[C@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001374470921 1157867802 /nfs/dbraw/zinc/86/78/02/1157867802.db2.gz HYMCSHGSJVCFKD-WBVHZDCISA-N 1 3 303.450 2.232 20 0 DEADHO C[C@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001374470921 1157867804 /nfs/dbraw/zinc/86/78/04/1157867804.db2.gz HYMCSHGSJVCFKD-WBVHZDCISA-N 1 3 303.450 2.232 20 0 DEADHO COc1cccc([C@@H](C)N(C)CCN(C)C(=O)CC[NH+](C)C)c1 ZINC001374529291 1157889762 /nfs/dbraw/zinc/88/97/62/1157889762.db2.gz DBSVVMWOYYQKJP-OAHLLOKOSA-N 1 3 321.465 2.098 20 0 DEADHO CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001393654004 1157894980 /nfs/dbraw/zinc/89/49/80/1157894980.db2.gz ZATZBXANNXXSKM-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001393654004 1157894981 /nfs/dbraw/zinc/89/49/81/1157894981.db2.gz ZATZBXANNXXSKM-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N1CCC(CC)([NH2+]CC2CCC2)CC1)N(C)C ZINC001393663684 1157896187 /nfs/dbraw/zinc/89/61/87/1157896187.db2.gz AVXDKJMHLPEOSI-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](c1cccc(F)c1)N(C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001374556750 1157898595 /nfs/dbraw/zinc/89/85/95/1157898595.db2.gz SUHQCAVVQFJRJN-HOCLYGCPSA-N 1 3 321.440 2.229 20 0 DEADHO C[C@@H](c1cccc(F)c1)N(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374556750 1157898596 /nfs/dbraw/zinc/89/85/96/1157898596.db2.gz SUHQCAVVQFJRJN-HOCLYGCPSA-N 1 3 321.440 2.229 20 0 DEADHO Cc1cccc(C)c1CN(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374557365 1157899695 /nfs/dbraw/zinc/89/96/95/1157899695.db2.gz ZQECSDBHVJIJAM-QGZVFWFLSA-N 1 3 317.477 2.145 20 0 DEADHO Cc1cccc(C)c1CN(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001374557365 1157899696 /nfs/dbraw/zinc/89/96/96/1157899696.db2.gz ZQECSDBHVJIJAM-QGZVFWFLSA-N 1 3 317.477 2.145 20 0 DEADHO CC(C)C[N@H+](C)C[C@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001393888558 1158047970 /nfs/dbraw/zinc/04/79/70/1158047970.db2.gz PKFSVEXOGIYTDS-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001393888558 1158047978 /nfs/dbraw/zinc/04/79/78/1158047978.db2.gz PKFSVEXOGIYTDS-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C(=O)N[C@H](C[NH2+]Cc1ccccc1)C1CC1)N(C)C ZINC001375269170 1158419151 /nfs/dbraw/zinc/41/91/51/1158419151.db2.gz JLVUDVALFZHNCQ-IAGOWNOFSA-N 1 3 303.450 2.011 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@@H](C[NH2+]CC2CC(C)C2)C1)N(C)C ZINC001394393022 1158478909 /nfs/dbraw/zinc/47/89/09/1158478909.db2.gz RCEIFFYVVMOWOF-YOTSKQKMSA-N 1 3 309.498 2.103 20 0 DEADHO C[C@@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]CCC1CCCC1 ZINC001394527541 1158611931 /nfs/dbraw/zinc/61/19/31/1158611931.db2.gz KANGGFFDBRSGSC-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]CC1CC2(CCC2)C1 ZINC001394528206 1158613186 /nfs/dbraw/zinc/61/31/86/1158613186.db2.gz LPJZISLGHGHBKP-CVEARBPZSA-N 1 3 321.509 2.345 20 0 DEADHO Cc1cccc(C)c1C[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001394528390 1158613742 /nfs/dbraw/zinc/61/37/42/1158613742.db2.gz DQEWAVKTJMSZDK-HNNXBMFYSA-N 1 3 314.433 2.206 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C[C@H]1CCN1CC1CC1)[NH+]1CCCC1 ZINC001375482444 1158749500 /nfs/dbraw/zinc/74/95/00/1158749500.db2.gz WZDSLPOOLSLGJB-SJORKVTESA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@H](F)C[NH+]1CCC(C)(CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001375927380 1158990503 /nfs/dbraw/zinc/99/05/03/1158990503.db2.gz ZWWXMTSJKMHOAM-GJZGRUSLSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1)N1CCCCC1 ZINC001376450082 1159435047 /nfs/dbraw/zinc/43/50/47/1159435047.db2.gz GDTUXFASZFHFAU-RNBGUABESA-N 1 3 313.873 2.240 20 0 DEADHO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1)N1CCCCC1 ZINC001376450074 1159436414 /nfs/dbraw/zinc/43/64/14/1159436414.db2.gz GDTUXFASZFHFAU-JMCXLMSJSA-N 1 3 313.873 2.240 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]C/C=C/Cl ZINC001403624084 1163057313 /nfs/dbraw/zinc/05/73/13/1163057313.db2.gz NVJXYZGTKLMFHW-LUIPGBGBSA-N 1 3 301.862 2.050 20 0 DEADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCc2ccccc21 ZINC001376744178 1159757432 /nfs/dbraw/zinc/75/74/32/1159757432.db2.gz VVWRLEMMQIYFHL-KDOFPFPSSA-N 1 3 315.461 2.253 20 0 DEADHO CN(CCC[N@H+](C)Cc1ccccc1)C(=O)[C@H]1CCCCN1C ZINC001376943971 1159852227 /nfs/dbraw/zinc/85/22/27/1159852227.db2.gz DIYHOILCTGHTRF-GOSISDBHSA-N 1 3 317.477 2.451 20 0 DEADHO CN(CCC[N@@H+](C)Cc1ccccc1)C(=O)[C@H]1CCCCN1C ZINC001376943971 1159852229 /nfs/dbraw/zinc/85/22/29/1159852229.db2.gz DIYHOILCTGHTRF-GOSISDBHSA-N 1 3 317.477 2.451 20 0 DEADHO CCc1cccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001376967101 1159859155 /nfs/dbraw/zinc/85/91/55/1159859155.db2.gz HHVOGRKHKHZZJH-SFHVURJKSA-N 1 3 317.477 2.280 20 0 DEADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+]CC=C(Cl)Cl ZINC001377035369 1159881885 /nfs/dbraw/zinc/88/18/85/1159881885.db2.gz LBBMDCPNJWBVBL-NSHDSACASA-N 1 3 322.280 2.274 20 0 DEADHO CC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1csc(C)c1)N(C)C ZINC001377109950 1159907330 /nfs/dbraw/zinc/90/73/30/1159907330.db2.gz YUUCGUJERSDOJY-IUODEOHRSA-N 1 3 311.495 2.381 20 0 DEADHO CC(C)CCCN1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001397040802 1159913402 /nfs/dbraw/zinc/91/34/02/1159913402.db2.gz IBAUMUNLKDWIHF-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1C[C@@H](C(=O)NCCN(C)CCc2cccs2)CC[N@@H+]1C ZINC001403661827 1163079560 /nfs/dbraw/zinc/07/95/60/1163079560.db2.gz HBABRGBLJFMRRK-GJZGRUSLSA-N 1 3 323.506 2.069 20 0 DEADHO C[C@H]1C[C@@H](C(=O)NCCN(C)CCc2cccs2)CC[N@H+]1C ZINC001403661827 1163079569 /nfs/dbraw/zinc/07/95/69/1163079569.db2.gz HBABRGBLJFMRRK-GJZGRUSLSA-N 1 3 323.506 2.069 20 0 DEADHO CC[N@H+](CCNC(=O)Cc1nc[nH]c1C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001377363560 1160272392 /nfs/dbraw/zinc/27/23/92/1160272392.db2.gz SLEOBIFNKUJDHF-OWCLPIDISA-N 1 3 318.465 2.135 20 0 DEADHO CC[N@@H+](CCNC(=O)Cc1nc[nH]c1C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001377363560 1160272402 /nfs/dbraw/zinc/27/24/02/1160272402.db2.gz SLEOBIFNKUJDHF-OWCLPIDISA-N 1 3 318.465 2.135 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001377464288 1160391893 /nfs/dbraw/zinc/39/18/93/1160391893.db2.gz VIBXAUFDRCKMJK-INIZCTEOSA-N 1 3 318.465 2.279 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001377464288 1160391904 /nfs/dbraw/zinc/39/19/04/1160391904.db2.gz VIBXAUFDRCKMJK-INIZCTEOSA-N 1 3 318.465 2.279 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001397688220 1160401211 /nfs/dbraw/zinc/40/12/11/1160401211.db2.gz POUJKECRLWBUTC-BPUTZDHNSA-N 1 3 309.498 2.247 20 0 DEADHO CC[C@@H](F)C[N@@H+]1CC[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001377701551 1160752012 /nfs/dbraw/zinc/75/20/12/1160752012.db2.gz QMIZZNZGXXAFCB-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@@H](F)C[N@H+]1CC[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001377701551 1160752031 /nfs/dbraw/zinc/75/20/31/1160752031.db2.gz QMIZZNZGXXAFCB-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC12CC[NH+](CC[C@@H](C)F)CC2 ZINC001398359608 1160864740 /nfs/dbraw/zinc/86/47/40/1160864740.db2.gz IDRBITVDNVPHHV-CABCVRRESA-N 1 3 313.461 2.045 20 0 DEADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1)CC(C)(C)C ZINC001398622850 1161022341 /nfs/dbraw/zinc/02/23/41/1161022341.db2.gz JUIBBTJUYNHXNW-IYBDPMFKSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1cc(F)ccc1C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001399100084 1161231305 /nfs/dbraw/zinc/23/13/05/1161231305.db2.gz LZLSCSZQOUPNRX-WMLDXEAASA-N 1 3 323.456 2.315 20 0 DEADHO C[NH+](C)CCC(=O)N1CC[C@H](NCc2cc3ccccc3o2)C1 ZINC001399188601 1161275078 /nfs/dbraw/zinc/27/50/78/1161275078.db2.gz ZVCIZIPJDJWEKB-HNNXBMFYSA-N 1 3 315.417 2.075 20 0 DEADHO CCCN(C)CC(=O)NCC[N@H+](C)Cc1cc(C)cc(C)c1 ZINC001399631506 1161487875 /nfs/dbraw/zinc/48/78/75/1161487875.db2.gz KWJJVIUKVMJZCB-UHFFFAOYSA-N 1 3 305.466 2.193 20 0 DEADHO CCCN(C)CC(=O)NCC[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC001399631506 1161487882 /nfs/dbraw/zinc/48/78/82/1161487882.db2.gz KWJJVIUKVMJZCB-UHFFFAOYSA-N 1 3 305.466 2.193 20 0 DEADHO CC[C@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CC1CC1 ZINC001400867005 1161837655 /nfs/dbraw/zinc/83/76/55/1161837655.db2.gz UTMNPDDQOSBAIC-PBHICJAKSA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1)N(C)C ZINC001401936446 1162189204 /nfs/dbraw/zinc/18/92/04/1162189204.db2.gz MMFUCOREOWIBTE-JKSUJKDBSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+]1CC1CC(C)(C)C1)N(C)C ZINC001401936446 1162189205 /nfs/dbraw/zinc/18/92/05/1162189205.db2.gz MMFUCOREOWIBTE-JKSUJKDBSA-N 1 3 309.498 2.199 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]CC2CC(C)C2)CC1 ZINC001401951330 1162194060 /nfs/dbraw/zinc/19/40/60/1162194060.db2.gz OEMDNWAGVYGZAU-GPANFISMSA-N 1 3 307.482 2.145 20 0 DEADHO CCC[N@H+](C)CCC(=O)N(C)C1CN(C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001402032607 1162222237 /nfs/dbraw/zinc/22/22/37/1162222237.db2.gz HPBVVPRFHSVBQQ-IXDOHACOSA-N 1 3 321.509 2.297 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N(C)C1CN(C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001402032607 1162222244 /nfs/dbraw/zinc/22/22/44/1162222244.db2.gz HPBVVPRFHSVBQQ-IXDOHACOSA-N 1 3 321.509 2.297 20 0 DEADHO CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1ccccc1C ZINC001403915740 1163291042 /nfs/dbraw/zinc/29/10/42/1163291042.db2.gz RYLSCRKZLLKAHR-INIZCTEOSA-N 1 3 317.477 2.275 20 0 DEADHO CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1ccccc1C ZINC001403915740 1163291049 /nfs/dbraw/zinc/29/10/49/1163291049.db2.gz RYLSCRKZLLKAHR-INIZCTEOSA-N 1 3 317.477 2.275 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCc2cccs2)C1)N(C)C ZINC001404075869 1163420389 /nfs/dbraw/zinc/42/03/89/1163420389.db2.gz ICVFGGCDKRNDEH-HOCLYGCPSA-N 1 3 323.506 2.069 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2cccs2)C1)N(C)C ZINC001404075869 1163420404 /nfs/dbraw/zinc/42/04/04/1163420404.db2.gz ICVFGGCDKRNDEH-HOCLYGCPSA-N 1 3 323.506 2.069 20 0 DEADHO Cc1ccc(CN(CCNC(=O)CC[NH+](C)C)C2CC2)c(C)c1 ZINC001404267431 1163544186 /nfs/dbraw/zinc/54/41/86/1163544186.db2.gz VXAFPQPMFVSTLC-UHFFFAOYSA-N 1 3 317.477 2.336 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@@H]1CC[N@H+](CC2CCC2)C1)N(C)C ZINC001404530168 1163699115 /nfs/dbraw/zinc/69/91/15/1163699115.db2.gz KUUXAUOHXJOAPY-SJORKVTESA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](CC2CCC2)C1)N(C)C ZINC001404530168 1163699118 /nfs/dbraw/zinc/69/91/18/1163699118.db2.gz KUUXAUOHXJOAPY-SJORKVTESA-N 1 3 309.498 2.201 20 0 DEADHO C[NH+](C)CCCC(=O)N1C[C@@H]2C[C@H]1CN2CC1CC2(CCC2)C1 ZINC001404966201 1163874046 /nfs/dbraw/zinc/87/40/46/1163874046.db2.gz JAMZEQVVIYKYNG-IRXDYDNUSA-N 1 3 319.493 2.194 20 0 DEADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2CN3CCCC(C)(C)C)C1 ZINC001404979762 1163879635 /nfs/dbraw/zinc/87/96/35/1163879635.db2.gz MWIXXXIQQJXZFS-ULQDDVLXSA-N 1 3 321.509 2.440 20 0 DEADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2CN3CCCC(C)(C)C)C1 ZINC001404979762 1163879636 /nfs/dbraw/zinc/87/96/36/1163879636.db2.gz MWIXXXIQQJXZFS-ULQDDVLXSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CCN(CCCF)C1)[NH+]1CCCCC1 ZINC001405031532 1163899743 /nfs/dbraw/zinc/89/97/43/1163899743.db2.gz DCRQDNUNXHAKRS-HOTGVXAUSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001405270667 1164033795 /nfs/dbraw/zinc/03/37/95/1164033795.db2.gz SIPCEDSQFKJHHR-DLBZAZTESA-N 1 3 305.466 2.320 20 0 DEADHO CC[C@H](C(=O)N[C@@](C)(C[NH2+]Cc1ccccc1)C1CC1)N(C)C ZINC001405431737 1164089649 /nfs/dbraw/zinc/08/96/49/1164089649.db2.gz HVGHTJQYFJLFME-MJGOQNOKSA-N 1 3 317.477 2.401 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001405670604 1164180360 /nfs/dbraw/zinc/18/03/60/1164180360.db2.gz RLESJQMWLXSDKO-CXAGYDPISA-N 1 3 323.456 2.316 20 0 DEADHO C[C@@H]([NH2+]CCC1CC1)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001406012064 1164387151 /nfs/dbraw/zinc/38/71/51/1164387151.db2.gz XFPNZADSRVONIZ-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[N@H+](C)[C@H](C)c1ccccc1 ZINC001406177117 1164494273 /nfs/dbraw/zinc/49/42/73/1164494273.db2.gz PIGIZXPCAMCNHN-MRXNPFEDSA-N 1 3 305.466 2.478 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[N@@H+](C)[C@H](C)c1ccccc1 ZINC001406177117 1164494278 /nfs/dbraw/zinc/49/42/78/1164494278.db2.gz PIGIZXPCAMCNHN-MRXNPFEDSA-N 1 3 305.466 2.478 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(C)c(C)c1)N(C)C ZINC001406362272 1164553166 /nfs/dbraw/zinc/55/31/66/1164553166.db2.gz HVEUTLQJXDNEJM-NVXWUHKLSA-N 1 3 305.466 2.238 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCc2ccccc21)N(C)C ZINC001406513870 1164648533 /nfs/dbraw/zinc/64/85/33/1164648533.db2.gz NPBPETWLUFPMSE-BMGDILEWSA-N 1 3 317.477 2.354 20 0 DEADHO CC[N@@H+]1CCc2c(CNC(=O)C3(N(C)C)CCC3)cccc2C1 ZINC001407748568 1165282560 /nfs/dbraw/zinc/28/25/60/1165282560.db2.gz RZYRUVHLGWQPDQ-UHFFFAOYSA-N 1 3 315.461 2.165 20 0 DEADHO CC[N@H+]1CCc2c(CNC(=O)C3(N(C)C)CCC3)cccc2C1 ZINC001407748568 1165282567 /nfs/dbraw/zinc/28/25/67/1165282567.db2.gz RZYRUVHLGWQPDQ-UHFFFAOYSA-N 1 3 315.461 2.165 20 0 DEADHO CC(C)(C)CC[C@H]([NH3+])CNCC(C)(C)[C@@]1(O)CCCOC1 ZINC001575131402 1166865491 /nfs/dbraw/zinc/86/54/91/1166865491.db2.gz UJOSYJXCEMLOTO-WMLDXEAASA-N 1 3 300.487 2.297 20 0 DEADHO C[C@H]1CC[N@H+](CC(=O)N2CCN(C3CCC(C)CC3)CC2)C1 ZINC001417645122 1167106685 /nfs/dbraw/zinc/10/66/85/1167106685.db2.gz HWLXJBDQKNFSJR-CGZBRXJRSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1CC[N@@H+](CC(=O)N2CCN(C3CCC(C)CC3)CC2)C1 ZINC001417645122 1167106690 /nfs/dbraw/zinc/10/66/90/1167106690.db2.gz HWLXJBDQKNFSJR-CGZBRXJRSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H](C(=O)N(C)C[C@H]1CCN1CC1CC1)[NH+]1CCCCCC1 ZINC001417738673 1167178882 /nfs/dbraw/zinc/17/88/82/1167178882.db2.gz HALQHYBIABTJPP-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@@H](C)c1ccccc1F ZINC001418300167 1167560777 /nfs/dbraw/zinc/56/07/77/1167560777.db2.gz IZJFHIODRDRDGK-KBPBESRZSA-N 1 3 319.424 2.077 20 0 DEADHO CN(CCNC(=O)CC[C@H]1CCC[N@@H+]1C)CCc1cccs1 ZINC001418469360 1167681740 /nfs/dbraw/zinc/68/17/40/1167681740.db2.gz KBSKHYSVYMRXGI-OAHLLOKOSA-N 1 3 323.506 2.213 20 0 DEADHO CN(CCNC(=O)CC[C@H]1CCC[N@H+]1C)CCc1cccs1 ZINC001418469360 1167681747 /nfs/dbraw/zinc/68/17/47/1167681747.db2.gz KBSKHYSVYMRXGI-OAHLLOKOSA-N 1 3 323.506 2.213 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[N@H+](C)[C@H]2CCc3ccccc32)C1 ZINC001418493943 1167714123 /nfs/dbraw/zinc/71/41/23/1167714123.db2.gz IUFOEBGETPAXSE-QAPCUYQASA-N 1 3 315.461 2.064 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[N@@H+](C)[C@H]2CCc3ccccc32)C1 ZINC001418493943 1167714138 /nfs/dbraw/zinc/71/41/38/1167714138.db2.gz IUFOEBGETPAXSE-QAPCUYQASA-N 1 3 315.461 2.064 20 0 DEADHO CC[C@H](CNC(=O)Cc1nc[nH]c1C)[NH2+]CC1CC2(CCC2)C1 ZINC001419281370 1168372220 /nfs/dbraw/zinc/37/22/20/1168372220.db2.gz SXCLIFFPHCVRCA-OAHLLOKOSA-N 1 3 318.465 2.325 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001419435189 1168473013 /nfs/dbraw/zinc/47/30/13/1168473013.db2.gz CJOAITVDXHYSOS-WKILWMFISA-N 1 3 323.868 2.419 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]C/C=C/c1ccccc1)N(C)C ZINC001419777552 1168842286 /nfs/dbraw/zinc/84/22/86/1168842286.db2.gz SYFWBLUPYNLLFD-BZYXRLQRSA-N 1 3 303.450 2.134 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]([NH2+]C/C=C\Cl)C(C)C ZINC001419878072 1168887193 /nfs/dbraw/zinc/88/71/93/1168887193.db2.gz MUKFAJZMIIETSJ-NEFCLYRVSA-N 1 3 315.889 2.344 20 0 DEADHO Cc1ccc(CN(C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC001420008378 1169056462 /nfs/dbraw/zinc/05/64/62/1169056462.db2.gz PDPMFNAKNGWVLG-GOSISDBHSA-N 1 3 319.493 2.471 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]C[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001420336607 1169374538 /nfs/dbraw/zinc/37/45/38/1169374538.db2.gz DAQHVQGGCXJLAS-DZGCQCFKSA-N 1 3 321.440 2.070 20 0 DEADHO CCC(CC)C[N@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001420953065 1171376383 /nfs/dbraw/zinc/37/63/83/1171376383.db2.gz PUDTVZHMMGLDPB-QGZVFWFLSA-N 1 3 309.498 2.299 20 0 DEADHO CC[C@@H](C(=O)N1CCC(C[N@H+](C)CCC2CC2)CC1)N(C)C ZINC001420965764 1171385473 /nfs/dbraw/zinc/38/54/73/1171385473.db2.gz XFKSTQTWDNKDMA-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C(=O)N1CCC(C[N@@H+](C)CCC2CC2)CC1)N(C)C ZINC001420965764 1171385480 /nfs/dbraw/zinc/38/54/80/1171385480.db2.gz XFKSTQTWDNKDMA-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1cccc(C)c1 ZINC001421468803 1171811471 /nfs/dbraw/zinc/81/14/71/1171811471.db2.gz CPXVIGXVGSGKFU-IRXDYDNUSA-N 1 3 305.466 2.320 20 0 DEADHO CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C2 ZINC001421538991 1171839020 /nfs/dbraw/zinc/83/90/20/1171839020.db2.gz NDQZLYDYHKPTDF-NXOAAHMSSA-N 1 3 307.482 2.097 20 0 DEADHO CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C2 ZINC001421538991 1171839024 /nfs/dbraw/zinc/83/90/24/1171839024.db2.gz NDQZLYDYHKPTDF-NXOAAHMSSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N1CCN(C2CC[NH+](C[C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC001421651905 1171883950 /nfs/dbraw/zinc/88/39/50/1171883950.db2.gz DYFUFWMRVKBXKE-PKOBYXMFSA-N 1 3 323.525 2.028 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccsc1 ZINC001421697270 1171908875 /nfs/dbraw/zinc/90/88/75/1171908875.db2.gz FMBDXJJISUQFKX-HOCLYGCPSA-N 1 3 323.506 2.464 20 0 DEADHO CN(CCC[N@H+](C)Cc1ccccc1)C(=O)CN1CCCC1 ZINC001421900669 1172105457 /nfs/dbraw/zinc/10/54/57/1172105457.db2.gz GWEJSNMTGLTBHK-UHFFFAOYSA-N 1 3 303.450 2.063 20 0 DEADHO CN(CCC[N@@H+](C)Cc1ccccc1)C(=O)CN1CCCC1 ZINC001421900669 1172105470 /nfs/dbraw/zinc/10/54/70/1172105470.db2.gz GWEJSNMTGLTBHK-UHFFFAOYSA-N 1 3 303.450 2.063 20 0 DEADHO CC(C)[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]C/C=C\Cl ZINC001422119447 1172317944 /nfs/dbraw/zinc/31/79/44/1172317944.db2.gz NIUGZXWXRRZWHU-CQUCYFNQSA-N 1 3 303.878 2.056 20 0 DEADHO C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)CCN1CCC(F)(F)F ZINC001422134872 1172332089 /nfs/dbraw/zinc/33/20/89/1172332089.db2.gz WSVDFVDSJFCKID-QWHCGFSZSA-N 1 3 323.403 2.250 20 0 DEADHO CC[N@H+](CCF)CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001422210071 1172396073 /nfs/dbraw/zinc/39/60/73/1172396073.db2.gz LJSVCBJLHXXCBN-INIZCTEOSA-N 1 3 315.477 2.103 20 0 DEADHO CC[N@@H+](CCF)CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001422210071 1172396076 /nfs/dbraw/zinc/39/60/76/1172396076.db2.gz LJSVCBJLHXXCBN-INIZCTEOSA-N 1 3 315.477 2.103 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CCCF ZINC001422242179 1172430610 /nfs/dbraw/zinc/43/06/10/1172430610.db2.gz HENGSJCIBPPWJM-CVEARBPZSA-N 1 3 313.461 2.143 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CCCF ZINC001422242179 1172430619 /nfs/dbraw/zinc/43/06/19/1172430619.db2.gz HENGSJCIBPPWJM-CVEARBPZSA-N 1 3 313.461 2.143 20 0 DEADHO C[C@@H]([NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1)c1ccc(F)cc1 ZINC001422661044 1172797853 /nfs/dbraw/zinc/79/78/53/1172797853.db2.gz ONLGWIARIWMXBC-UONOGXRCSA-N 1 3 321.440 2.465 20 0 DEADHO COc1cccc([C@@H](C)[NH2+]C[C@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001422761226 1172846219 /nfs/dbraw/zinc/84/62/19/1172846219.db2.gz PIYGLYBLQFLHIR-LSDHHAIUSA-N 1 3 321.465 2.191 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CC1CCCC1 ZINC001422838292 1172881679 /nfs/dbraw/zinc/88/16/79/1172881679.db2.gz SJJCGHOGVNDKOX-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)CC1CCCC1 ZINC001422838292 1172881680 /nfs/dbraw/zinc/88/16/80/1172881680.db2.gz SJJCGHOGVNDKOX-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+](C)CCC(=O)N(C)C[C@H](C)NCc1cc(C)ccc1F ZINC001423147202 1173116592 /nfs/dbraw/zinc/11/65/92/1173116592.db2.gz MDRSYZSENXROSH-HNNXBMFYSA-N 1 3 323.456 2.412 20 0 DEADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)NCc1cc(C)ccc1F ZINC001423147202 1173116610 /nfs/dbraw/zinc/11/66/10/1173116610.db2.gz MDRSYZSENXROSH-HNNXBMFYSA-N 1 3 323.456 2.412 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN(C)C(C)C)cc1 ZINC001423483835 1173368736 /nfs/dbraw/zinc/36/87/36/1173368736.db2.gz RZFBSMSAXKCTBA-SFHVURJKSA-N 1 3 317.477 2.416 20 0 DEADHO C[C@@H](NC(=O)CN1CC[C@H](C)C1)C1CC[NH+](CCC2CC2)CC1 ZINC001423654615 1173469465 /nfs/dbraw/zinc/46/94/65/1173469465.db2.gz WUEPPPYMGQCAAO-JKSUJKDBSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)N(C)Cc1ccccc1 ZINC001424958096 1174058760 /nfs/dbraw/zinc/05/87/60/1174058760.db2.gz AXCQFRPSJYMNPA-AEFFLSMTSA-N 1 3 317.477 2.498 20 0 DEADHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)N(C)Cc1ccccc1 ZINC001424958096 1174058764 /nfs/dbraw/zinc/05/87/64/1174058764.db2.gz AXCQFRPSJYMNPA-AEFFLSMTSA-N 1 3 317.477 2.498 20 0 DEADHO Cc1cccc(C[N@@H+](C)[C@@H](C)CNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001425013288 1174108442 /nfs/dbraw/zinc/10/84/42/1174108442.db2.gz RHRYVYJANCAMJS-SJORKVTESA-N 1 3 317.477 2.273 20 0 DEADHO Cc1cccc(C[N@H+](C)[C@@H](C)CNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001425013288 1174108454 /nfs/dbraw/zinc/10/84/54/1174108454.db2.gz RHRYVYJANCAMJS-SJORKVTESA-N 1 3 317.477 2.273 20 0 DEADHO Cc1ccc(F)cc1C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCN1C ZINC001425554840 1174369650 /nfs/dbraw/zinc/36/96/50/1174369650.db2.gz XFOLINFPKOTUHJ-YOEHRIQHSA-N 1 3 321.440 2.165 20 0 DEADHO CCCN(CC[NH+](CC)CC)C(=O)NC[C@@H]1CCCCN1C ZINC001434837171 1178889768 /nfs/dbraw/zinc/88/97/68/1178889768.db2.gz GVKSNNPPELAOMG-INIZCTEOSA-N 1 3 312.502 2.234 20 0 DEADHO C[C@H](NCCF)[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001436662639 1179172482 /nfs/dbraw/zinc/17/24/82/1179172482.db2.gz DVPVSJMKFTUEFK-JKSUJKDBSA-N 1 3 313.461 2.191 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1)N(C)C ZINC001436965774 1179321641 /nfs/dbraw/zinc/32/16/41/1179321641.db2.gz QYFUVLDOAANFKU-KSZLIROESA-N 1 3 317.477 2.380 20 0 DEADHO C[C@H](c1ccccc1)[NH+]1CC(CNC(=O)CN(C)C2CCC2)C1 ZINC001438131003 1180209456 /nfs/dbraw/zinc/20/94/56/1180209456.db2.gz WLKUPPBOXMKEEN-OAHLLOKOSA-N 1 3 315.461 2.280 20 0 DEADHO CCCN(C)CC(=O)N1CCC2(CC[N@H+](CCC3CC3)C2)CC1 ZINC001438464696 1180456408 /nfs/dbraw/zinc/45/64/08/1180456408.db2.gz OGCFYUIVZNURKN-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CCCN(C)CC(=O)N1CCC2(CC[N@@H+](CCC3CC3)C2)CC1 ZINC001438464696 1180456416 /nfs/dbraw/zinc/45/64/16/1180456416.db2.gz OGCFYUIVZNURKN-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO Cc1cccc(C)c1C[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH]cn1 ZINC001438690563 1180765552 /nfs/dbraw/zinc/76/55/52/1180765552.db2.gz IADATDHKLHDQJK-HNNXBMFYSA-N 1 3 314.433 2.206 20 0 DEADHO C[C@H](CNCc1ccc(Cl)c(F)c1)NC(=O)CC[NH+](C)C ZINC001439148558 1180897360 /nfs/dbraw/zinc/89/73/60/1180897360.db2.gz MEKUUAWGGQCXGT-LLVKDONJSA-N 1 3 315.820 2.025 20 0 DEADHO Cc1cc(C)cc(C[NH2+]C[C@@H](C)NC(=O)CN2CC[C@H](C)C2)c1 ZINC001439155039 1180900020 /nfs/dbraw/zinc/90/00/20/1180900020.db2.gz RUARQFNCOHITPO-WMLDXEAASA-N 1 3 317.477 2.240 20 0 DEADHO CCc1ccccc1C[NH2+]C[C@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001439225545 1180950258 /nfs/dbraw/zinc/95/02/58/1180950258.db2.gz OKFFHVMNQNOIEU-WMLDXEAASA-N 1 3 305.466 2.184 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001439252801 1180968670 /nfs/dbraw/zinc/96/86/70/1180968670.db2.gz MYMYGWVFQAMNCH-BBRMVZONSA-N 1 3 309.429 2.069 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[N@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001439398087 1181070178 /nfs/dbraw/zinc/07/01/78/1181070178.db2.gz QMKMOVGUJVMECP-ZIAGYGMSSA-N 1 3 319.440 2.200 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[N@@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001439398087 1181070183 /nfs/dbraw/zinc/07/01/83/1181070183.db2.gz QMKMOVGUJVMECP-ZIAGYGMSSA-N 1 3 319.440 2.200 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CCN1CCCC1CCC1)[NH+](C)C ZINC001439558453 1181142910 /nfs/dbraw/zinc/14/29/10/1181142910.db2.gz ACRFDLBJDYIPBU-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCN1CCC1CC1)[NH+]1CCCCC1 ZINC001439572014 1181151204 /nfs/dbraw/zinc/15/12/04/1181151204.db2.gz MSCVPNLXAYJOFJ-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001440334032 1181451961 /nfs/dbraw/zinc/45/19/61/1181451961.db2.gz LQMNAHURDVVEPX-FPCVCCKLSA-N 1 3 313.461 2.092 20 0 DEADHO C[C@H](F)CC[NH2+]C1(C)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001440597584 1181606577 /nfs/dbraw/zinc/60/65/77/1181606577.db2.gz HLLFLVQUZIVGLN-AWEZNQCLSA-N 1 3 313.461 2.190 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H](C)C1CN(Cc2ccc(C)cc2)C1 ZINC001441207447 1181894967 /nfs/dbraw/zinc/89/49/67/1181894967.db2.gz HCAPQFPZRHXAIM-INIZCTEOSA-N 1 3 317.477 2.273 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)C1CN(Cc2ccc(C)cc2)C1 ZINC001441207447 1181894971 /nfs/dbraw/zinc/89/49/71/1181894971.db2.gz HCAPQFPZRHXAIM-INIZCTEOSA-N 1 3 317.477 2.273 20 0 DEADHO CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001441520756 1182039069 /nfs/dbraw/zinc/03/90/69/1182039069.db2.gz GALPIGGYUVMUDT-JONQDZQNSA-N 1 3 313.461 2.234 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001441658554 1182117652 /nfs/dbraw/zinc/11/76/52/1182117652.db2.gz OGTKMKBVZPVCOA-KGLIPLIRSA-N 1 3 319.440 2.199 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]Cc2ccsc2)C[C@H]1C ZINC001441839376 1182208196 /nfs/dbraw/zinc/20/81/96/1182208196.db2.gz QNIZKZNGCBASJP-UKRRQHHQSA-N 1 3 309.479 2.167 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]C/C=C/Cl ZINC001441991238 1182278647 /nfs/dbraw/zinc/27/86/47/1182278647.db2.gz HKUGZNHGRHKSQF-RNUUNTDPSA-N 1 3 301.862 2.096 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+]Cc1cc(C)sc1C ZINC001442018205 1182288780 /nfs/dbraw/zinc/28/87/80/1182288780.db2.gz XHCVQQNOIBFFSG-GFCCVEGCSA-N 1 3 311.495 2.301 20 0 DEADHO CC[N@H+](CCNC(=O)CN(C)C1CCC1)Cc1cccc(C)c1 ZINC001442678690 1182628935 /nfs/dbraw/zinc/62/89/35/1182628935.db2.gz UQEQTFIUXAKZFT-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO CC[N@@H+](CCNC(=O)CN(C)C1CCC1)Cc1cccc(C)c1 ZINC001442678690 1182628947 /nfs/dbraw/zinc/62/89/47/1182628947.db2.gz UQEQTFIUXAKZFT-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC001442901988 1182781332 /nfs/dbraw/zinc/78/13/32/1182781332.db2.gz FWMQXSWPKIIRCL-MRXNPFEDSA-N 1 3 321.440 2.104 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC001442901988 1182781342 /nfs/dbraw/zinc/78/13/42/1182781342.db2.gz FWMQXSWPKIIRCL-MRXNPFEDSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@@H]([NH2+]CCN(C)C(=O)CN1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC001443081724 1182843803 /nfs/dbraw/zinc/84/38/03/1182843803.db2.gz RZDBVNLQFPOMAI-HUUCEWRRSA-N 1 3 321.440 2.277 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001443273755 1182899565 /nfs/dbraw/zinc/89/95/65/1182899565.db2.gz RNMJJKJMBNBSGH-ROUUACIJSA-N 1 3 321.509 2.489 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001443273755 1182899569 /nfs/dbraw/zinc/89/95/69/1182899569.db2.gz RNMJJKJMBNBSGH-ROUUACIJSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1cccc(F)c1 ZINC001444319303 1183344935 /nfs/dbraw/zinc/34/49/35/1183344935.db2.gz HKNCPGHHLVKKGG-AWEZNQCLSA-N 1 3 321.440 2.152 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)Cc2c[nH]cn2)c(C)c1 ZINC001444681483 1183515833 /nfs/dbraw/zinc/51/58/33/1183515833.db2.gz HVYWEACDZTTXNJ-HNNXBMFYSA-N 1 3 314.433 2.206 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C ZINC001445478230 1183883022 /nfs/dbraw/zinc/88/30/22/1183883022.db2.gz CXFPOUAGFMOGOC-CXAGYDPISA-N 1 3 316.449 2.102 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@@H]1CCc2c1cccc2F ZINC001445482702 1183884239 /nfs/dbraw/zinc/88/42/39/1183884239.db2.gz QKYJFYMKKYKHGV-CXAGYDPISA-N 1 3 321.440 2.249 20 0 DEADHO CN(C)C1(C(=O)N[C@H](C[NH2+]CC2CCCC2)C2CC2)CCC1 ZINC001445972371 1184156841 /nfs/dbraw/zinc/15/68/41/1184156841.db2.gz XAZIZWMPKXKHQE-MRXNPFEDSA-N 1 3 307.482 2.145 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@H+](CC[C@@H](C)F)C2)C1 ZINC001446335571 1184312177 /nfs/dbraw/zinc/31/21/77/1184312177.db2.gz FQSMOSLPDZUXFL-WBVHZDCISA-N 1 3 313.461 2.001 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@@H+](CC[C@@H](C)F)C2)C1 ZINC001446335571 1184312181 /nfs/dbraw/zinc/31/21/81/1184312181.db2.gz FQSMOSLPDZUXFL-WBVHZDCISA-N 1 3 313.461 2.001 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1F ZINC001446463356 1184361523 /nfs/dbraw/zinc/36/15/23/1184361523.db2.gz RKMSTVCTLVJQEN-INIZCTEOSA-N 1 3 321.440 2.247 20 0 DEADHO C[C@@H](CNC(=O)CC[NH+](C)C)N(C)C/C=C/c1ccccc1 ZINC001448082817 1185064388 /nfs/dbraw/zinc/06/43/88/1185064388.db2.gz HWDGXZOKNNBPQY-KXKDPZRNSA-N 1 3 303.450 2.088 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]CC1CC1)C1CC1 ZINC001448605061 1185319135 /nfs/dbraw/zinc/31/91/35/1185319135.db2.gz SZZBJOQXURUZJT-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]CCc1cccs1 ZINC001448784421 1185416997 /nfs/dbraw/zinc/41/69/97/1185416997.db2.gz WUHWCIXONKZMOL-CQSZACIVSA-N 1 3 311.495 2.067 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCC2CCCC2)C[C@@H]1C ZINC001449009855 1185483596 /nfs/dbraw/zinc/48/35/96/1185483596.db2.gz HFZDOCZBLNCJQV-DOTOQJQBSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC001449071603 1185517668 /nfs/dbraw/zinc/51/76/68/1185517668.db2.gz FSKWVOLRDWSUJU-HIFRSBDPSA-N 1 3 313.461 2.045 20 0 DEADHO Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)C2(N(C)C)CCC2)cs1 ZINC001405830158 1164275914 /nfs/dbraw/zinc/27/59/14/1164275914.db2.gz NAMDDWIAGQKYDM-CYBMUJFWSA-N 1 3 323.506 2.477 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CNCc1sccc1Cl ZINC001406545724 1164668914 /nfs/dbraw/zinc/66/89/14/1164668914.db2.gz GBGDDEKAWPQSMT-NSHDSACASA-N 1 3 317.886 2.338 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CNCc1sccc1Cl ZINC001406545724 1164668918 /nfs/dbraw/zinc/66/89/18/1164668918.db2.gz GBGDDEKAWPQSMT-NSHDSACASA-N 1 3 317.886 2.338 20 0 DEADHO CC(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001121707894 782358843 /nfs/dbraw/zinc/35/88/43/782358843.db2.gz MCEXCZBVRDENJX-LMBQMVEXSA-N 1 3 309.498 2.246 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106246501 782566319 /nfs/dbraw/zinc/56/63/19/782566319.db2.gz MJECSAYFVDCIEY-BZUAXINKSA-N 1 3 309.498 2.201 20 0 DEADHO CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001106673618 782843825 /nfs/dbraw/zinc/84/38/25/782843825.db2.gz IYGQFKOITQJBMJ-TXVACFFHSA-N 1 3 309.498 2.367 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](NC(=O)CN2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493418 783159621 /nfs/dbraw/zinc/15/96/21/783159621.db2.gz WNTQRSPSOMESRH-JKSUJKDBSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](NC(=O)CN2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493418 783159626 /nfs/dbraw/zinc/15/96/26/783159626.db2.gz WNTQRSPSOMESRH-JKSUJKDBSA-N 1 3 309.498 2.486 20 0 DEADHO CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001073035188 790406297 /nfs/dbraw/zinc/40/62/97/790406297.db2.gz ATKWEJLYBHNSHE-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001073035188 790406303 /nfs/dbraw/zinc/40/63/03/790406303.db2.gz ATKWEJLYBHNSHE-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO CCC(CC)C[NH2+]C1CC(CNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001100407814 776616773 /nfs/dbraw/zinc/61/67/73/776616773.db2.gz KUNZCFFLKHBPDB-PREGVCBESA-N 1 3 309.498 2.247 20 0 DEADHO COCOCCCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209029752 776652131 /nfs/dbraw/zinc/65/21/31/776652131.db2.gz OOOWXCKCLOAPNF-HDICACEKSA-N 1 3 304.434 2.061 20 0 DEADHO COCOCCCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209029752 776652137 /nfs/dbraw/zinc/65/21/37/776652137.db2.gz OOOWXCKCLOAPNF-HDICACEKSA-N 1 3 304.434 2.061 20 0 DEADHO CC(C)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001104294194 776952715 /nfs/dbraw/zinc/95/27/15/776952715.db2.gz BSVCYDFCOSPWIE-HZPDHXFCSA-N 1 3 309.498 2.201 20 0 DEADHO CCN(CC)CC(=O)NCCC1(C[NH2+]CC2CC(C)C2)CC1 ZINC001167480589 777150405 /nfs/dbraw/zinc/15/04/05/777150405.db2.gz MKZKWOMEMACCPR-UHFFFAOYSA-N 1 3 309.498 2.250 20 0 DEADHO CC[C@@H](C(=O)NCC1CC([NH2+]Cc2csc(C)c2)C1)N(C)C ZINC001100683517 777723192 /nfs/dbraw/zinc/72/31/92/777723192.db2.gz FWYIHGRKNCORGI-BCLQGDPASA-N 1 3 323.506 2.381 20 0 DEADHO CC(C)[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001104833046 778206347 /nfs/dbraw/zinc/20/63/47/778206347.db2.gz JVGGNODOPWYYLO-IAGOWNOFSA-N 1 3 309.498 2.201 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCC2)C1 ZINC001104937877 778265191 /nfs/dbraw/zinc/26/51/91/778265191.db2.gz KXBXPEPMOROMJA-NVXWUHKLSA-N 1 3 309.498 2.203 20 0 DEADHO CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001112531513 778654783 /nfs/dbraw/zinc/65/47/83/778654783.db2.gz AUXMYTDSSDYDRA-LPHOPBHVSA-N 1 3 321.509 2.347 20 0 DEADHO CN(CCCc1ccccc1)C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001160449173 790675849 /nfs/dbraw/zinc/67/58/49/790675849.db2.gz VCYWSHGSAOWWOB-KRWDZBQOSA-N 1 3 305.466 2.137 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]2C1 ZINC001088095265 779696872 /nfs/dbraw/zinc/69/68/72/779696872.db2.gz DCHRIBBVPOCFDD-IXDOHACOSA-N 1 3 309.498 2.153 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]2C1 ZINC001088095265 779696877 /nfs/dbraw/zinc/69/68/77/779696877.db2.gz DCHRIBBVPOCFDD-IXDOHACOSA-N 1 3 309.498 2.153 20 0 DEADHO CN(CC(=O)N1CCC([N@H+](C)CC2CCC2)CC1)C1CCC1 ZINC000985468564 779852802 /nfs/dbraw/zinc/85/28/02/779852802.db2.gz WUBLGMDBCDJKKQ-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO CN(CC(=O)N1CCC([N@@H+](C)CC2CCC2)CC1)C1CCC1 ZINC000985468564 779852809 /nfs/dbraw/zinc/85/28/09/779852809.db2.gz WUBLGMDBCDJKKQ-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO O=C(CC[NH+]1CCCCC1)N1CCCCC[C@@H](NCCF)C1 ZINC001088430290 780115082 /nfs/dbraw/zinc/11/50/82/780115082.db2.gz LRGNNXPTRWQNEJ-MRXNPFEDSA-N 1 3 313.461 2.193 20 0 DEADHO CCCN(C)CC(=O)NCC1CC([NH2+]Cc2ccsc2)C1 ZINC001100904771 780322841 /nfs/dbraw/zinc/32/28/41/780322841.db2.gz GAKKTHGCDNPKNV-UHFFFAOYSA-N 1 3 309.479 2.074 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC2CC2)CC1 ZINC001168335827 780851337 /nfs/dbraw/zinc/85/13/37/780851337.db2.gz VNPGHCSAXZYAEU-MRXNPFEDSA-N 1 3 307.482 2.147 20 0 DEADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(C/C=C\Cl)C[C@H]1C ZINC001102101093 780920585 /nfs/dbraw/zinc/92/05/85/780920585.db2.gz MRISHDQYLSGQJO-JUBSNLHESA-N 1 3 315.889 2.153 20 0 DEADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(C/C=C\Cl)C[C@H]1C ZINC001102101093 780920588 /nfs/dbraw/zinc/92/05/88/780920588.db2.gz MRISHDQYLSGQJO-JUBSNLHESA-N 1 3 315.889 2.153 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCC1CC([NH2+]CC2CCC2)C1 ZINC001091026978 790838641 /nfs/dbraw/zinc/83/86/41/790838641.db2.gz VKKRJLRUPIQZRO-JCYILVPMSA-N 1 3 307.482 2.144 20 0 DEADHO COc1cccc2c1C[C@@H]([NH2+]C1CCN(CC3CC3)CC1)CO2 ZINC001168363069 781028980 /nfs/dbraw/zinc/02/89/80/781028980.db2.gz SAPMRGILSWUFRJ-MRXNPFEDSA-N 1 3 316.445 2.463 20 0 DEADHO CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)[C@H]1C ZINC001088812299 781029519 /nfs/dbraw/zinc/02/95/19/781029519.db2.gz XOTLWLFUVLWNPG-HYVNUMGLSA-N 1 3 307.482 2.382 20 0 DEADHO CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)[C@H]1C ZINC001088812299 781029528 /nfs/dbraw/zinc/02/95/28/781029528.db2.gz XOTLWLFUVLWNPG-HYVNUMGLSA-N 1 3 307.482 2.382 20 0 DEADHO CCN1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088812299 781029538 /nfs/dbraw/zinc/02/95/38/781029538.db2.gz XOTLWLFUVLWNPG-HYVNUMGLSA-N 1 3 307.482 2.382 20 0 DEADHO CCN1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088812299 781029549 /nfs/dbraw/zinc/02/95/49/781029549.db2.gz XOTLWLFUVLWNPG-HYVNUMGLSA-N 1 3 307.482 2.382 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](C)c1ccccc1F ZINC001127082237 781733732 /nfs/dbraw/zinc/73/37/32/781733732.db2.gz MYFVZPVUROUEIL-WMLDXEAASA-N 1 3 321.440 2.465 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](C)c1ccccc1F ZINC001127082237 781733738 /nfs/dbraw/zinc/73/37/38/781733738.db2.gz MYFVZPVUROUEIL-WMLDXEAASA-N 1 3 321.440 2.465 20 0 DEADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@H](C)c1ccc(C)cc1 ZINC001144463999 790921129 /nfs/dbraw/zinc/92/11/29/790921129.db2.gz IDKRTUUNUPDKFV-CQSZACIVSA-N 1 3 304.438 2.162 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CC2CCC2)[C@@H](C)C1 ZINC000947980666 783284033 /nfs/dbraw/zinc/28/40/33/783284033.db2.gz QZDIQQXTTLQJRP-SWLSCSKDSA-N 1 3 304.438 2.030 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CC2CCC2)[C@@H](C)C1 ZINC000947980666 783284042 /nfs/dbraw/zinc/28/40/42/783284042.db2.gz QZDIQQXTTLQJRP-SWLSCSKDSA-N 1 3 304.438 2.030 20 0 DEADHO CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC001085285026 783620933 /nfs/dbraw/zinc/62/09/33/783620933.db2.gz XXMXZFGYWQWPSE-ZACQAIPSSA-N 1 3 307.482 2.288 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1CCC1CC1 ZINC001085628847 783904619 /nfs/dbraw/zinc/90/46/19/783904619.db2.gz GNXLNKCRPHBKNS-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1CCC1CC1 ZINC001085628847 783904621 /nfs/dbraw/zinc/90/46/21/783904621.db2.gz GNXLNKCRPHBKNS-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1CC1 ZINC001085628847 783904625 /nfs/dbraw/zinc/90/46/25/783904625.db2.gz GNXLNKCRPHBKNS-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1CC1 ZINC001085628847 783904628 /nfs/dbraw/zinc/90/46/28/783904628.db2.gz GNXLNKCRPHBKNS-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC000967923664 784178566 /nfs/dbraw/zinc/17/85/66/784178566.db2.gz AOSRDXIHPVACPN-SJORKVTESA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CC2=CCCCC2)C1)N(C)C ZINC000968996471 784684575 /nfs/dbraw/zinc/68/45/75/784684575.db2.gz GWJYUDWKIRGXDQ-SJORKVTESA-N 1 3 307.482 2.264 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001007457134 784924874 /nfs/dbraw/zinc/92/48/74/784924874.db2.gz IQGXOCGBKRBPSD-DLBZAZTESA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001007457134 784924881 /nfs/dbraw/zinc/92/48/81/784924881.db2.gz IQGXOCGBKRBPSD-DLBZAZTESA-N 1 3 307.482 2.242 20 0 DEADHO CC(=O)N1CCCCC12CCN([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169138991 785055456 /nfs/dbraw/zinc/05/54/56/785055456.db2.gz LJODIICJXARLGX-PIIMJCKOSA-N 1 3 319.493 2.479 20 0 DEADHO CC(=O)N1CCCCC12CCN([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169138991 785055461 /nfs/dbraw/zinc/05/54/61/785055461.db2.gz LJODIICJXARLGX-PIIMJCKOSA-N 1 3 319.493 2.479 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCc3ncnc(C4CC4)c3CC1)C2 ZINC001169139884 785058064 /nfs/dbraw/zinc/05/80/64/785058064.db2.gz OLERIILZNJAROC-MUJYYYPQSA-N 1 3 312.461 2.380 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCc3ncnc(C4CC4)c3CC1)C2 ZINC001169139884 785058069 /nfs/dbraw/zinc/05/80/69/785058069.db2.gz OLERIILZNJAROC-MUJYYYPQSA-N 1 3 312.461 2.380 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001008052390 785091051 /nfs/dbraw/zinc/09/10/51/785091051.db2.gz LBYNEWONXXQIKP-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001008052390 785091062 /nfs/dbraw/zinc/09/10/62/785091062.db2.gz LBYNEWONXXQIKP-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO CCCN1CCC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001008505676 785224524 /nfs/dbraw/zinc/22/45/24/785224524.db2.gz BRXBQXXPIVLTDV-YOEHRIQHSA-N 1 3 313.461 2.190 20 0 DEADHO CCCN1CCC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001008505676 785224528 /nfs/dbraw/zinc/22/45/28/785224528.db2.gz BRXBQXXPIVLTDV-YOEHRIQHSA-N 1 3 313.461 2.190 20 0 DEADHO CCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001009627814 785495536 /nfs/dbraw/zinc/49/55/36/785495536.db2.gz NMYNADDNHFSHOW-INIZCTEOSA-N 1 3 303.450 2.352 20 0 DEADHO CCC[N@H+]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001009627814 785495537 /nfs/dbraw/zinc/49/55/37/785495537.db2.gz NMYNADDNHFSHOW-INIZCTEOSA-N 1 3 303.450 2.352 20 0 DEADHO CC(C)=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C(C)C)C2 ZINC001108830307 785557946 /nfs/dbraw/zinc/55/79/46/785557946.db2.gz IXBXZPBKYWLOPJ-ULQDDVLXSA-N 1 3 307.482 2.262 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NCC1CC([NH2+]CC2CC2)C1 ZINC001091377599 791127813 /nfs/dbraw/zinc/12/78/13/791127813.db2.gz ORZLALBLVRCVBX-UHFFFAOYSA-N 1 3 315.461 2.256 20 0 DEADHO CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001109688277 785988241 /nfs/dbraw/zinc/98/82/41/785988241.db2.gz GHTJWPJMOWQSDN-LTIDMASMSA-N 1 3 309.498 2.484 20 0 DEADHO CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001109688277 785988249 /nfs/dbraw/zinc/98/82/49/785988249.db2.gz GHTJWPJMOWQSDN-LTIDMASMSA-N 1 3 309.498 2.484 20 0 DEADHO O=C(N[C@@H]1CCN(CC2=CCCCC2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001014470767 786595466 /nfs/dbraw/zinc/59/54/66/786595466.db2.gz UWXXLPIMVCESMU-MSOLQXFVSA-N 1 3 317.477 2.019 20 0 DEADHO CC(C)C[C@@H](C)CN1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001113538659 786668682 /nfs/dbraw/zinc/66/86/82/786668682.db2.gz ZMWQNIVUOKKVAZ-SJORKVTESA-N 1 3 309.498 2.155 20 0 DEADHO CC(C)C[C@@H](C)CN1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001113538659 786668684 /nfs/dbraw/zinc/66/86/84/786668684.db2.gz ZMWQNIVUOKKVAZ-SJORKVTESA-N 1 3 309.498 2.155 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001015393821 787030220 /nfs/dbraw/zinc/03/02/20/787030220.db2.gz WAOSMQIULIZKOE-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001015393821 787030230 /nfs/dbraw/zinc/03/02/30/787030230.db2.gz WAOSMQIULIZKOE-IRXDYDNUSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@@H]([NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C)c1ccccc1 ZINC001129442712 787214965 /nfs/dbraw/zinc/21/49/65/787214965.db2.gz DINLZFTZSZTIJJ-IAGOWNOFSA-N 1 3 303.450 2.184 20 0 DEADHO C[C@H]([NH2+]CCNC(=O)CN(C)C1CCC1)c1ccc(F)cc1 ZINC001129535433 787225130 /nfs/dbraw/zinc/22/51/30/787225130.db2.gz RGRQWIBXYSQQLR-ZDUSSCGKSA-N 1 3 307.413 2.077 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[NH2+][C@@H]1CCc2ccc(F)cc21)N(C)C ZINC001129949928 787262789 /nfs/dbraw/zinc/26/27/89/787262789.db2.gz KITYHHAVDOCUEQ-SJORKVTESA-N 1 3 321.440 2.105 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+]CC[C@@H]1CCc2ccccc21)N(C)C ZINC001130203837 787313935 /nfs/dbraw/zinc/31/39/35/787313935.db2.gz YTEJIASQSMKJNZ-FUHWJXTLSA-N 1 3 317.477 2.153 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CCCCC(F)(F)F ZINC001130424945 787386964 /nfs/dbraw/zinc/38/69/64/787386964.db2.gz IEHYLIWRHFKSKM-UHFFFAOYSA-N 1 3 311.392 2.155 20 0 DEADHO Cc1cc(CNCCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)cs1 ZINC001130713277 787461995 /nfs/dbraw/zinc/46/19/95/787461995.db2.gz JGVGANDKVVLAOI-INIZCTEOSA-N 1 3 323.506 2.383 20 0 DEADHO Cc1cc(CNCCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)cs1 ZINC001130713277 787462001 /nfs/dbraw/zinc/46/20/01/787462001.db2.gz JGVGANDKVVLAOI-INIZCTEOSA-N 1 3 323.506 2.383 20 0 DEADHO CCN(CC)Cc1cccc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)c1F ZINC001170573146 787658970 /nfs/dbraw/zinc/65/89/70/787658970.db2.gz JJELHJUYKWFCNU-BBRMVZONSA-N 1 3 309.429 2.456 20 0 DEADHO CC[NH+](CC)Cc1cccc(N[C@@H](C)[C@@H]2CNCCO2)c1F ZINC001170573146 787658971 /nfs/dbraw/zinc/65/89/71/787658971.db2.gz JJELHJUYKWFCNU-BBRMVZONSA-N 1 3 309.429 2.456 20 0 DEADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C[NH2+]CCC1CC1 ZINC001132888050 788218679 /nfs/dbraw/zinc/21/86/79/788218679.db2.gz KDAORVCWKBXNJN-WBVHZDCISA-N 1 3 321.509 2.345 20 0 DEADHO CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001097859590 788253247 /nfs/dbraw/zinc/25/32/47/788253247.db2.gz UOCSJDFBNHVCKE-KURKYZTESA-N 1 3 315.461 2.146 20 0 DEADHO C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]CC1CC1 ZINC001133120773 788286810 /nfs/dbraw/zinc/28/68/10/788286810.db2.gz ASVRWMVFHIDAFC-NVXWUHKLSA-N 1 3 323.525 2.449 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]C/C=C/Cl)C1 ZINC001133182139 788308462 /nfs/dbraw/zinc/30/84/62/788308462.db2.gz OLQLYOHIYVANNW-ODYMAQSMSA-N 1 3 315.889 2.155 20 0 DEADHO CCc1ccc(C[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001133434677 788428685 /nfs/dbraw/zinc/42/86/85/788428685.db2.gz YLGDTQQGPRTKFP-QGZVFWFLSA-N 1 3 305.466 2.041 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]CC[C@@H]1CCCC1(F)F ZINC001133823397 788620296 /nfs/dbraw/zinc/62/02/96/788620296.db2.gz FJXQXHIJMHFBSE-KGLIPLIRSA-N 1 3 317.424 2.002 20 0 DEADHO C[C@H](NCCNC(=O)C[N@@H+]1CCC[C@H]1C)c1ccccc1F ZINC001133833915 788626890 /nfs/dbraw/zinc/62/68/90/788626890.db2.gz JLWUSVPZXSBPGG-KGLIPLIRSA-N 1 3 307.413 2.077 20 0 DEADHO C[C@H](NCCNC(=O)C[N@H+]1CCC[C@H]1C)c1ccccc1F ZINC001133833915 788626894 /nfs/dbraw/zinc/62/68/94/788626894.db2.gz JLWUSVPZXSBPGG-KGLIPLIRSA-N 1 3 307.413 2.077 20 0 DEADHO Cc1cccc([C@H](C)[NH2+]CCNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001133851120 788632587 /nfs/dbraw/zinc/63/25/87/788632587.db2.gz XGALVVUBXKVNLH-CVEARBPZSA-N 1 3 303.450 2.104 20 0 DEADHO Cc1ccc(CNCCNC(=O)C[N@H+]2CC[C@H](C)C2)c(Cl)c1 ZINC001133846120 788638624 /nfs/dbraw/zinc/63/86/24/788638624.db2.gz UJRAEKNBMYZWGK-AWEZNQCLSA-N 1 3 323.868 2.196 20 0 DEADHO Cc1ccc(CNCCNC(=O)C[N@@H+]2CC[C@H](C)C2)c(Cl)c1 ZINC001133846120 788638627 /nfs/dbraw/zinc/63/86/27/788638627.db2.gz UJRAEKNBMYZWGK-AWEZNQCLSA-N 1 3 323.868 2.196 20 0 DEADHO CC1(C)CCN(CC(=O)NCC[NH2+]CCCc2ccccc2)C1 ZINC001133896213 788662374 /nfs/dbraw/zinc/66/23/74/788662374.db2.gz FCSWILPWWNKOLH-UHFFFAOYSA-N 1 3 317.477 2.057 20 0 DEADHO Cc1ccc(C[NH2+]CCNC(=O)CN(C)CC(C)(C)C)cc1F ZINC001133908086 788667011 /nfs/dbraw/zinc/66/70/11/788667011.db2.gz HFNLOXKXTMINGY-UHFFFAOYSA-N 1 3 323.456 2.318 20 0 DEADHO C[C@H]([NH2+]CCNC(=O)CN(C)CC(C)(C)C)c1ccccc1 ZINC001133908420 788667148 /nfs/dbraw/zinc/66/71/48/788667148.db2.gz QJNZEAGDPAEHPD-HNNXBMFYSA-N 1 3 305.466 2.431 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+]Cc1ccc2ccccc2c1)N(C)C ZINC001133965615 788695281 /nfs/dbraw/zinc/69/52/81/788695281.db2.gz BGUWIBHCXOMMAZ-SFHVURJKSA-N 1 3 313.445 2.386 20 0 DEADHO C[C@H](C[C@H](C)[NH2+]CCC(F)(F)F)NC(=O)C1(N(C)C)CCC1 ZINC001134584968 788989592 /nfs/dbraw/zinc/98/95/92/788989592.db2.gz YHOCCUYKMYDARW-NWDGAFQWSA-N 1 3 323.403 2.296 20 0 DEADHO C[C@H](C[C@H](C)[NH2+]CCC(F)(F)F)NC(=O)CN(C)C1CCC1 ZINC001134611919 788998325 /nfs/dbraw/zinc/99/83/25/788998325.db2.gz DRSHWQBHAWVXNH-NWDGAFQWSA-N 1 3 323.403 2.296 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCOC(C)C ZINC001134774033 789076501 /nfs/dbraw/zinc/07/65/01/789076501.db2.gz UJWBJWQCPOLNOO-CABCVRRESA-N 1 3 315.502 2.015 20 0 DEADHO C[C@H](C[C@H](C)NC(=O)CN1CCC(C)(C)C1)[NH2+]C/C=C\Cl ZINC001135476373 789364870 /nfs/dbraw/zinc/36/48/70/789364870.db2.gz KCZZIOAJSQTVFW-RKWPFYGESA-N 1 3 315.889 2.344 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+]Cc1ccc2ccccc2c1 ZINC001135513289 789382772 /nfs/dbraw/zinc/38/27/72/789382772.db2.gz LEGRMJMEEGDTFA-UHFFFAOYSA-N 1 3 313.445 2.387 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCCCOC ZINC001135980634 789581353 /nfs/dbraw/zinc/58/13/53/789581353.db2.gz QXZONVSVEXXOQP-CVEARBPZSA-N 1 3 315.502 2.018 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ncccc1C ZINC001135976255 789587168 /nfs/dbraw/zinc/58/71/68/789587168.db2.gz IKQSISZGFIYZQV-HOTGVXAUSA-N 1 3 320.481 2.105 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cncc(C)c1 ZINC001135976952 789587367 /nfs/dbraw/zinc/58/73/67/789587367.db2.gz OOARYIOCPPGTIN-HZPDHXFCSA-N 1 3 320.481 2.105 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1 ZINC001135977502 789587699 /nfs/dbraw/zinc/58/76/99/789587699.db2.gz UKTPHWYXQPYODH-HOTGVXAUSA-N 1 3 305.466 2.401 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCCC1 ZINC001136031454 789600855 /nfs/dbraw/zinc/60/08/55/789600855.db2.gz LLYSIHNGZVTEDH-CHWSQXEVSA-N 1 3 306.454 2.324 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[C@@H]1C ZINC001071735600 789896925 /nfs/dbraw/zinc/89/69/25/789896925.db2.gz OUVZKBQXFOAKFB-HOTGVXAUSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[N@H+]1C[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[C@@H]1C ZINC001071735600 789896928 /nfs/dbraw/zinc/89/69/28/789896928.db2.gz OUVZKBQXFOAKFB-HOTGVXAUSA-N 1 3 309.498 2.486 20 0 DEADHO CC[N@@H+]1C[C@H](NC(=O)c2ccccc2CN(C)C)CC[C@H]1C ZINC001072099451 790052101 /nfs/dbraw/zinc/05/21/01/790052101.db2.gz QYFAHDIBJJJBQD-GDBMZVCRSA-N 1 3 303.450 2.351 20 0 DEADHO CC[N@H+]1C[C@H](NC(=O)c2ccccc2CN(C)C)CC[C@H]1C ZINC001072099451 790052104 /nfs/dbraw/zinc/05/21/04/790052104.db2.gz QYFAHDIBJJJBQD-GDBMZVCRSA-N 1 3 303.450 2.351 20 0 DEADHO CC(C)[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1C ZINC001072366053 790125166 /nfs/dbraw/zinc/12/51/66/790125166.db2.gz UZFHFGYKUPFLHP-CVEARBPZSA-N 1 3 309.498 2.201 20 0 DEADHO CCC(CC)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001072814348 790257511 /nfs/dbraw/zinc/25/75/11/790257511.db2.gz AOPKHMOXJKGRCW-QGZVFWFLSA-N 1 3 321.509 2.297 20 0 DEADHO CCC(CC)C[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001072814348 790257512 /nfs/dbraw/zinc/25/75/12/790257512.db2.gz AOPKHMOXJKGRCW-QGZVFWFLSA-N 1 3 321.509 2.297 20 0 DEADHO Cc1ccncc1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146594790 791318648 /nfs/dbraw/zinc/31/86/48/791318648.db2.gz UWDXQIAFGWWBOL-JKSUJKDBSA-N 1 3 320.481 2.103 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CC3=CCCCC3)[C@@H]2C)C1 ZINC001074878289 791364394 /nfs/dbraw/zinc/36/43/94/791364394.db2.gz LDZMWGASCUPOAS-BQFCYCMXSA-N 1 3 319.493 2.408 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cccc(F)c2)[C@@H]1C)N(C)C ZINC001074885445 791369322 /nfs/dbraw/zinc/36/93/22/791369322.db2.gz DNAOMXMZJSBQBL-JQFCIGGWSA-N 1 3 321.440 2.245 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCC2CCCC2)[C@@H]1C)N(C)C ZINC001074885780 791369452 /nfs/dbraw/zinc/36/94/52/791369452.db2.gz XAFGPCGSCAHGNU-XIRDDKMYSA-N 1 3 309.498 2.486 20 0 DEADHO CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001075281324 791554382 /nfs/dbraw/zinc/55/43/82/791554382.db2.gz KDOFXFCSDBJAFM-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001147773618 791611711 /nfs/dbraw/zinc/61/17/11/791611711.db2.gz ICRYTJPXLHQANF-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO CCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001147773618 791611718 /nfs/dbraw/zinc/61/17/18/791611718.db2.gz ICRYTJPXLHQANF-MRXNPFEDSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001098455388 791633871 /nfs/dbraw/zinc/63/38/71/791633871.db2.gz PZWZDZDYHJBQTD-KURKYZTESA-N 1 3 315.461 2.493 20 0 DEADHO CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001098455388 791633874 /nfs/dbraw/zinc/63/38/74/791633874.db2.gz PZWZDZDYHJBQTD-KURKYZTESA-N 1 3 315.461 2.493 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001148642373 791780120 /nfs/dbraw/zinc/78/01/20/791780120.db2.gz GLBKBNHEIHMPMS-OAHLLOKOSA-N 1 3 317.477 2.284 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](CCCC(C)C)C2 ZINC001148652125 791781494 /nfs/dbraw/zinc/78/14/94/791781494.db2.gz VQAGNICOKFGWON-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](CCCC(C)C)C2 ZINC001148652125 791781497 /nfs/dbraw/zinc/78/14/97/791781497.db2.gz VQAGNICOKFGWON-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)CCC[N@@H+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001148839566 791809382 /nfs/dbraw/zinc/80/93/82/791809382.db2.gz RHUFUAHMFWWEPX-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CCC[N@H+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001148839566 791809387 /nfs/dbraw/zinc/80/93/87/791809387.db2.gz RHUFUAHMFWWEPX-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CCC(C)CC3)C2)CC1 ZINC001086951198 791862704 /nfs/dbraw/zinc/86/27/04/791862704.db2.gz XCOGNLHGNKGQBJ-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO [NH3+]CCCCN1CCN([C@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171361649 791870936 /nfs/dbraw/zinc/87/09/36/791870936.db2.gz ZKSMHPVEOYEGRD-INIZCTEOSA-N 1 3 323.431 2.179 20 0 DEADHO CN(CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CC2)C1)C1CCC1 ZINC001099446040 792209775 /nfs/dbraw/zinc/20/97/75/792209775.db2.gz HNTBVDRUWITJFD-LPHOPBHVSA-N 1 3 319.493 2.099 20 0 DEADHO CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)CC(C)(C)C ZINC001099526819 792230325 /nfs/dbraw/zinc/23/03/25/792230325.db2.gz BCHIYYWRGBOTQZ-HZMVEIRTSA-N 1 3 321.509 2.153 20 0 DEADHO CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)CC(C)(C)C ZINC001099526819 792230337 /nfs/dbraw/zinc/23/03/37/792230337.db2.gz BCHIYYWRGBOTQZ-HZMVEIRTSA-N 1 3 321.509 2.153 20 0 DEADHO C[C@@H]1CN(CCF)C[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001093224976 792294584 /nfs/dbraw/zinc/29/45/84/792294584.db2.gz IDYROFCALRAZSY-GDBMZVCRSA-N 1 3 321.440 2.015 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC2CC(C)(C)C2)[C@H](C)C1)N(C)C ZINC001094049168 792701642 /nfs/dbraw/zinc/70/16/42/792701642.db2.gz KQLFDAHSZJHXKK-OIISXLGYSA-N 1 3 323.525 2.447 20 0 DEADHO CC[C@@H](C(=O)NCC1CC([NH2+]Cc2ccc(C)cc2)C1)N(C)C ZINC001100683433 792787578 /nfs/dbraw/zinc/78/75/78/792787578.db2.gz AYJKBLOHOAXTIO-ABHNRTSZSA-N 1 3 317.477 2.320 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CCCCOC)N(C)C ZINC001171508134 793117692 /nfs/dbraw/zinc/11/76/92/793117692.db2.gz AKMMRWDNRMZHLY-JKSUJKDBSA-N 1 3 315.502 2.018 20 0 DEADHO Cc1cccc2c1CC[C@H](N1CCN(CCC[NH+](C)C)CC1)C2 ZINC001171569750 793136483 /nfs/dbraw/zinc/13/64/83/793136483.db2.gz AVELOOVSJZOTLX-IBGZPJMESA-N 1 3 315.505 2.422 20 0 DEADHO CC1(C)C[C@H](NCCn2cncn2)CC[N@@H+]1Cc1ccccc1 ZINC001171972799 793285170 /nfs/dbraw/zinc/28/51/70/793285170.db2.gz SQGVXMIQQCBUCC-QGZVFWFLSA-N 1 3 313.449 2.311 20 0 DEADHO CC1(C)C[C@H](NCCn2cncn2)CC[N@H+]1Cc1ccccc1 ZINC001171972799 793285176 /nfs/dbraw/zinc/28/51/76/793285176.db2.gz SQGVXMIQQCBUCC-QGZVFWFLSA-N 1 3 313.449 2.311 20 0 DEADHO CC1(C)C[C@@H](n2[n-]c(=O)nc2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC001171984943 793288725 /nfs/dbraw/zinc/28/87/25/793288725.db2.gz YYVGVSMJKZRJDV-AWEZNQCLSA-N 1 3 315.421 2.058 20 0 DEADHO CC1(C)C[C@@H](n2[n-]c(=O)nc2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001171984943 793288730 /nfs/dbraw/zinc/28/87/30/793288730.db2.gz YYVGVSMJKZRJDV-AWEZNQCLSA-N 1 3 315.421 2.058 20 0 DEADHO C[C@@H](CN)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172088270 793312379 /nfs/dbraw/zinc/31/23/79/793312379.db2.gz KMKUSSXXJVTSSD-XQLPTFJDSA-N 1 3 311.470 2.491 20 0 DEADHO Cc1cnc(O[C@@H]2CCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)nc1 ZINC001172132334 793322036 /nfs/dbraw/zinc/32/20/36/793322036.db2.gz KIAWIJGRLJNAFP-YYIAUSFCSA-N 1 3 316.449 2.253 20 0 DEADHO Cc1cnc(O[C@@H]2CCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)nc1 ZINC001172132334 793322044 /nfs/dbraw/zinc/32/20/44/793322044.db2.gz KIAWIJGRLJNAFP-YYIAUSFCSA-N 1 3 316.449 2.253 20 0 DEADHO COCCOc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)cn1 ZINC001172112722 793333405 /nfs/dbraw/zinc/33/34/05/793333405.db2.gz YYIIACDTWMWKAF-BJWYYQGGSA-N 1 3 319.449 2.212 20 0 DEADHO O=C1CC[C@H]2C[C@H]([NH2+]C3CCN(CC4CCCC4)CC3)CCN12 ZINC001172153058 793350751 /nfs/dbraw/zinc/35/07/51/793350751.db2.gz ABTRQUNXGBXHMC-MSOLQXFVSA-N 1 3 319.493 2.384 20 0 DEADHO C[C@H](CN)C[N@H+](Cc1ccccc1)[C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172153584 793351178 /nfs/dbraw/zinc/35/11/78/793351178.db2.gz DGKBJBLESIEPKD-NJAFHUGGSA-N 1 3 315.461 2.237 20 0 DEADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172153584 793351187 /nfs/dbraw/zinc/35/11/87/793351187.db2.gz DGKBJBLESIEPKD-NJAFHUGGSA-N 1 3 315.461 2.237 20 0 DEADHO C[C@H](C[NH3+])CN(Cc1ccccc1)[C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172153584 793351197 /nfs/dbraw/zinc/35/11/97/793351197.db2.gz DGKBJBLESIEPKD-NJAFHUGGSA-N 1 3 315.461 2.237 20 0 DEADHO COCCCN1CCC([NH2+]Cc2ccccc2N(C)C)CC1 ZINC001172244260 793384840 /nfs/dbraw/zinc/38/48/40/793384840.db2.gz NHOGPLLPWYEIME-UHFFFAOYSA-N 1 3 305.466 2.343 20 0 DEADHO C[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102048411 793487181 /nfs/dbraw/zinc/48/71/81/793487181.db2.gz ALWILJLZJVBUAJ-OLMNPRSZSA-N 1 3 321.509 2.201 20 0 DEADHO C[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102048411 793487186 /nfs/dbraw/zinc/48/71/86/793487186.db2.gz ALWILJLZJVBUAJ-OLMNPRSZSA-N 1 3 321.509 2.201 20 0 DEADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1C ZINC001102100957 793504684 /nfs/dbraw/zinc/50/46/84/793504684.db2.gz GKUXOLVJVZEBIQ-HZPDHXFCSA-N 1 3 309.498 2.367 20 0 DEADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](CC=C(C)C)C[C@H]1C ZINC001102100957 793504689 /nfs/dbraw/zinc/50/46/89/793504689.db2.gz GKUXOLVJVZEBIQ-HZPDHXFCSA-N 1 3 309.498 2.367 20 0 DEADHO CO[C@H]1CCC[C@H]([NH2+]C2CCN(CC3CCOCC3)CC2)C1 ZINC001172926940 793535182 /nfs/dbraw/zinc/53/51/82/793535182.db2.gz ULQUXCHKHJPYTH-ROUUACIJSA-N 1 3 310.482 2.425 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C ZINC001102532129 793643951 /nfs/dbraw/zinc/64/39/51/793643951.db2.gz VRODIWMUPWMJQW-CZUORRHYSA-N 1 3 318.465 2.135 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C ZINC001102532129 793643954 /nfs/dbraw/zinc/64/39/54/793643954.db2.gz VRODIWMUPWMJQW-CZUORRHYSA-N 1 3 318.465 2.135 20 0 DEADHO COC(=O)c1ccc(C[C@H](C)[NH+]2CCC3(CN(C)C3)CC2)cc1 ZINC001173731070 793851190 /nfs/dbraw/zinc/85/11/90/793851190.db2.gz RHQGTPDZPVYNSS-HNNXBMFYSA-N 1 3 316.445 2.432 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001174692452 794040880 /nfs/dbraw/zinc/04/08/80/794040880.db2.gz SLZWJXVZVYKPCZ-AWEZNQCLSA-N 1 3 314.433 2.426 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C)N(C)C ZINC001103408454 794079010 /nfs/dbraw/zinc/07/90/10/794079010.db2.gz BVCRVLIELAQYED-KBAYOESNSA-N 1 3 323.525 2.447 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C)N(C)C ZINC001103408454 794079016 /nfs/dbraw/zinc/07/90/16/794079016.db2.gz BVCRVLIELAQYED-KBAYOESNSA-N 1 3 323.525 2.447 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[C@@H]2C[N@H+](CC3CCC3)C[C@H]2C)C1 ZINC001103436295 794091490 /nfs/dbraw/zinc/09/14/90/794091490.db2.gz SCGYSNFVPMBPMF-LZLYRXPVSA-N 1 3 321.509 2.203 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[C@@H]2C[N@@H+](CC3CCC3)C[C@H]2C)C1 ZINC001103436295 794091502 /nfs/dbraw/zinc/09/15/02/794091502.db2.gz SCGYSNFVPMBPMF-LZLYRXPVSA-N 1 3 321.509 2.203 20 0 DEADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1C)N(C)C ZINC001103443609 794093536 /nfs/dbraw/zinc/09/35/36/794093536.db2.gz CBTRFCPRHMYVCR-UMYCQHFCSA-N 1 3 315.889 2.153 20 0 DEADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1C)N(C)C ZINC001103443609 794093539 /nfs/dbraw/zinc/09/35/39/794093539.db2.gz CBTRFCPRHMYVCR-UMYCQHFCSA-N 1 3 315.889 2.153 20 0 DEADHO C[C@H](CCCC[NH2+]CC1CCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001175263762 794173308 /nfs/dbraw/zinc/17/33/08/794173308.db2.gz QZHDPLKVBDWDDS-JKSUJKDBSA-N 1 3 309.498 2.393 20 0 DEADHO CCOCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](CC)N(C)C ZINC001175307806 794179051 /nfs/dbraw/zinc/17/90/51/794179051.db2.gz YMFDCAFCIKWJSH-HOTGVXAUSA-N 1 3 315.502 2.018 20 0 DEADHO CC[C@@H](F)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103755573 794213996 /nfs/dbraw/zinc/21/39/96/794213996.db2.gz LTXYZXWNQJGRTF-BZUAXINKSA-N 1 3 315.477 2.149 20 0 DEADHO CC[C@@H](F)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103755573 794214001 /nfs/dbraw/zinc/21/40/01/794214001.db2.gz LTXYZXWNQJGRTF-BZUAXINKSA-N 1 3 315.477 2.149 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)CCCC[NH2+]Cc1cc(C)no1 ZINC001175767749 794284681 /nfs/dbraw/zinc/28/46/81/794284681.db2.gz IXRUHBWZVSACNY-CQSZACIVSA-N 1 3 324.469 2.089 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)CCCC[NH2+]CC[C@@H](C)F ZINC001175786352 794288765 /nfs/dbraw/zinc/28/87/65/794288765.db2.gz JMWJNZIKDVJESC-HUUCEWRRSA-N 1 3 303.466 2.341 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[NH2+]CCCc1cccc(F)c1 ZINC001176971871 794543293 /nfs/dbraw/zinc/54/32/93/794543293.db2.gz KDIMORAFMXVXFN-UHFFFAOYSA-N 1 3 323.456 2.194 20 0 DEADHO Cc1ccc(F)c(C[NH2+]CCCNC(=O)CN(C)C(C)C)c1 ZINC001176975389 794544609 /nfs/dbraw/zinc/54/46/09/794544609.db2.gz OYBGGQZYXLCRBM-UHFFFAOYSA-N 1 3 309.429 2.070 20 0 DEADHO CCc1cccc(C[NH2+]CCCNC(=O)CN(C)C(C)C)c1 ZINC001176980371 794547381 /nfs/dbraw/zinc/54/73/81/794547381.db2.gz DTJXRPUKJPHEGO-UHFFFAOYSA-N 1 3 305.466 2.185 20 0 DEADHO COc1cccc([C@H](C)[NH2+]CCCNC(=O)CN(C)C(C)C)c1 ZINC001176986657 794548529 /nfs/dbraw/zinc/54/85/29/794548529.db2.gz RYNICPVOYYZQDB-HNNXBMFYSA-N 1 3 321.465 2.192 20 0 DEADHO CC[C@H](C(=O)NCCCCCC[NH2+]Cc1cccnc1)N(C)C ZINC001178815921 795012595 /nfs/dbraw/zinc/01/25/95/795012595.db2.gz OHZODPZGKSLAFK-QGZVFWFLSA-N 1 3 320.481 2.188 20 0 DEADHO CC[C@@H](C(=O)NCCCCCC[NH2+]Cc1cccnc1)N(C)C ZINC001179609331 795142521 /nfs/dbraw/zinc/14/25/21/795142521.db2.gz OHZODPZGKSLAFK-KRWDZBQOSA-N 1 3 320.481 2.188 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCCCCCC[NH2+]CCCF ZINC001179580642 795144750 /nfs/dbraw/zinc/14/47/50/795144750.db2.gz KXXZPEBNTACHFQ-OAHLLOKOSA-N 1 3 301.450 2.097 20 0 DEADHO CC[N@H+](C)CCC(=O)NCCCCCCNCc1ocnc1C ZINC001179988778 795214757 /nfs/dbraw/zinc/21/47/57/795214757.db2.gz MUDWZUKHZKUZMM-UHFFFAOYSA-N 1 3 324.469 2.091 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCCCCCCNCc1ocnc1C ZINC001179988778 795214763 /nfs/dbraw/zinc/21/47/63/795214763.db2.gz MUDWZUKHZKUZMM-UHFFFAOYSA-N 1 3 324.469 2.091 20 0 DEADHO CC(C)N(C)CC(=O)NCCCCCC[NH2+]CC[C@@H](C)F ZINC001180369567 795293097 /nfs/dbraw/zinc/29/30/97/795293097.db2.gz METRDDGOGVXVRV-OAHLLOKOSA-N 1 3 303.466 2.341 20 0 DEADHO CN(C)[C@@H]1CCC[N@H+](C[C@@H](O)CCOCc2ccccc2)CC1 ZINC001119852438 795363452 /nfs/dbraw/zinc/36/34/52/795363452.db2.gz UNNAGDOQSPNPLX-MOPGFXCFSA-N 1 3 320.477 2.370 20 0 DEADHO CN(C)[C@@H]1CCC[N@@H+](C[C@@H](O)CCOCc2ccccc2)CC1 ZINC001119852438 795363462 /nfs/dbraw/zinc/36/34/62/795363462.db2.gz UNNAGDOQSPNPLX-MOPGFXCFSA-N 1 3 320.477 2.370 20 0 DEADHO CCN(CC)CC(=O)NC1CC2(C1)CC([NH2+]C/C=C\Cl)C2 ZINC001121935343 795707109 /nfs/dbraw/zinc/70/71/09/795707109.db2.gz OADALCYEINHFRU-WAYWQWQTSA-N 1 3 313.873 2.098 20 0 DEADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)C(C)(C)Cc1ccccc1 ZINC001182607196 795719262 /nfs/dbraw/zinc/71/92/62/795719262.db2.gz PTIAEGCAKANHLH-UHFFFAOYSA-N 1 3 318.465 2.319 20 0 DEADHO CC(C)C[C@H](C)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001183288478 795843777 /nfs/dbraw/zinc/84/37/77/795843777.db2.gz JUHFUBXGVXHBJM-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H](C[NH2+]CCC(C)C)[C@H](C)C1 ZINC001185361444 796238752 /nfs/dbraw/zinc/23/87/52/796238752.db2.gz YMYPTFLOJLGJQF-SJORKVTESA-N 1 3 311.514 2.449 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CCC2CC2)[C@@H](C)C1 ZINC001185549051 796280453 /nfs/dbraw/zinc/28/04/53/796280453.db2.gz OXCQMZBBBZVOME-DOTOQJQBSA-N 1 3 309.498 2.203 20 0 DEADHO C[NH+]1CCC(CN2CCN(Cc3ccnc(Cl)c3)CC2)CC1 ZINC001138821439 796287695 /nfs/dbraw/zinc/28/76/95/796287695.db2.gz RMQRJSWCAHXZRR-UHFFFAOYSA-N 1 3 322.884 2.194 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCCC(F)(F)F)C1)N(C)C ZINC001185716427 796309222 /nfs/dbraw/zinc/30/92/22/796309222.db2.gz XQDMSWKJKZTDQD-OLZOCXBDSA-N 1 3 323.403 2.250 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001186452937 796402869 /nfs/dbraw/zinc/40/28/69/796402869.db2.gz WENSYGWIWNYLEX-WMLDXEAASA-N 1 3 321.440 2.419 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001186458373 796408823 /nfs/dbraw/zinc/40/88/23/796408823.db2.gz LRUVIDWQPPMWEV-MRXNPFEDSA-N 1 3 323.868 2.372 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001187323050 796517247 /nfs/dbraw/zinc/51/72/47/796517247.db2.gz VVHJWQQGPRXJOE-CYBMUJFWSA-N 1 3 323.403 2.251 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCCc2ccccc2)C1 ZINC001188138733 796630576 /nfs/dbraw/zinc/63/05/76/796630576.db2.gz AXESLHPETYVAHW-GOSISDBHSA-N 1 3 317.477 2.150 20 0 DEADHO CN(CCN(C)C(=O)CC[NH+]1CCCCC1)Cc1ccccc1 ZINC001142919367 796785704 /nfs/dbraw/zinc/78/57/04/796785704.db2.gz YOEYJCQOOQCZEF-UHFFFAOYSA-N 1 3 317.477 2.453 20 0 DEADHO CC(C)N(C)CC(=O)NCC[NH2+]Cc1cccc(C(F)F)c1 ZINC001152426178 797186368 /nfs/dbraw/zinc/18/63/68/797186368.db2.gz FHHXFJPUIYGOKN-UHFFFAOYSA-N 1 3 313.392 2.170 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(F)cc1C ZINC001152459031 797191025 /nfs/dbraw/zinc/19/10/25/797191025.db2.gz XAWOWOPTQLBLEM-KRWDZBQOSA-N 1 3 321.440 2.214 20 0 DEADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)cs1 ZINC001192170618 797330328 /nfs/dbraw/zinc/33/03/28/797330328.db2.gz OGFULCYPQBAQLJ-HNNXBMFYSA-N 1 3 309.479 2.041 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CCCCCF)C1)N(C)C ZINC001192190067 797335228 /nfs/dbraw/zinc/33/52/28/797335228.db2.gz LKRMDXPVDNVKIZ-JKSUJKDBSA-N 1 3 315.477 2.245 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCCCCF)C1)N(C)C ZINC001192190067 797335234 /nfs/dbraw/zinc/33/52/34/797335234.db2.gz LKRMDXPVDNVKIZ-JKSUJKDBSA-N 1 3 315.477 2.245 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)CCC(C)(C)C)C1 ZINC001192343439 797366493 /nfs/dbraw/zinc/36/64/93/797366493.db2.gz OXPYEARPVZNXJR-HZPDHXFCSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001192343439 797366501 /nfs/dbraw/zinc/36/65/01/797366501.db2.gz OXPYEARPVZNXJR-HZPDHXFCSA-N 1 3 309.498 2.440 20 0 DEADHO C[N@H+](CCCC1CCCC1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192551976 797405107 /nfs/dbraw/zinc/40/51/07/797405107.db2.gz VFUASFFLEOYLBN-QGZVFWFLSA-N 1 3 318.465 2.455 20 0 DEADHO C[N@@H+](CCCC1CCCC1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192551976 797405112 /nfs/dbraw/zinc/40/51/12/797405112.db2.gz VFUASFFLEOYLBN-QGZVFWFLSA-N 1 3 318.465 2.455 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(F)cc2)C1 ZINC001192957322 797474597 /nfs/dbraw/zinc/47/45/97/797474597.db2.gz BDDWSEPYWRPDMO-QGZVFWFLSA-N 1 3 321.440 2.200 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001192957322 797474602 /nfs/dbraw/zinc/47/46/02/797474602.db2.gz BDDWSEPYWRPDMO-QGZVFWFLSA-N 1 3 321.440 2.200 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CC=C(C)C)C1 ZINC001194266335 797702663 /nfs/dbraw/zinc/70/26/63/797702663.db2.gz PAOBYJNSRUJIQF-DLBZAZTESA-N 1 3 307.482 2.360 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CC=C(C)C)C1 ZINC001194266335 797702665 /nfs/dbraw/zinc/70/26/65/797702665.db2.gz PAOBYJNSRUJIQF-DLBZAZTESA-N 1 3 307.482 2.360 20 0 DEADHO CCC[N@H+](CC)[C@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001155237799 797714399 /nfs/dbraw/zinc/71/43/99/797714399.db2.gz KPWCZMHMRDOPOS-PBHICJAKSA-N 1 3 315.477 2.436 20 0 DEADHO CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001155237799 797714402 /nfs/dbraw/zinc/71/44/02/797714402.db2.gz KPWCZMHMRDOPOS-PBHICJAKSA-N 1 3 315.477 2.436 20 0 DEADHO COc1cc(C)c(C[N@@H+]2CCCC[C@](O)(CN)C2)c(C)c1C ZINC001205672305 797763924 /nfs/dbraw/zinc/76/39/24/797763924.db2.gz IMVFYKOWCQZXLG-SFHVURJKSA-N 1 3 306.450 2.296 20 0 DEADHO COc1cc(C)c(C[N@H+]2CCCC[C@](O)(CN)C2)c(C)c1C ZINC001205672305 797763927 /nfs/dbraw/zinc/76/39/27/797763927.db2.gz IMVFYKOWCQZXLG-SFHVURJKSA-N 1 3 306.450 2.296 20 0 DEADHO CC[N@H+](CCCF)[C@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001155612401 797805641 /nfs/dbraw/zinc/80/56/41/797805641.db2.gz TVVJBFAFAGCPJB-HZPDHXFCSA-N 1 3 315.477 2.437 20 0 DEADHO CC[N@@H+](CCCF)[C@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001155612401 797805648 /nfs/dbraw/zinc/80/56/48/797805648.db2.gz TVVJBFAFAGCPJB-HZPDHXFCSA-N 1 3 315.477 2.437 20 0 DEADHO CC[N@H+](CCCCCF)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157112941 798146091 /nfs/dbraw/zinc/14/60/91/798146091.db2.gz DCFILCMYAPUSBM-OAHLLOKOSA-N 1 3 303.466 2.293 20 0 DEADHO CC[N@@H+](CCCCCF)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157112941 798146093 /nfs/dbraw/zinc/14/60/93/798146093.db2.gz DCFILCMYAPUSBM-OAHLLOKOSA-N 1 3 303.466 2.293 20 0 DEADHO CC[C@H](C(=O)N1CCCN(CC[C@H](C)F)CC1)[NH+](CC)CC ZINC001197142013 798147511 /nfs/dbraw/zinc/14/75/11/798147511.db2.gz RSSZFVJXOAVCPC-JKSUJKDBSA-N 1 3 315.477 2.389 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC001197706382 798228284 /nfs/dbraw/zinc/22/82/84/798228284.db2.gz HCLNVJZJVAJIKI-UHFFFAOYSA-N 1 3 303.450 2.063 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC001197706382 798228287 /nfs/dbraw/zinc/22/82/87/798228287.db2.gz HCLNVJZJVAJIKI-UHFFFAOYSA-N 1 3 303.450 2.063 20 0 DEADHO Cc1cc2c(ncnc2N2CCC([N@@H+]3CC[C@@H](N)C3)CC2)s1 ZINC001158258321 798369016 /nfs/dbraw/zinc/36/90/16/798369016.db2.gz WEGMIYUIQPJBAR-GFCCVEGCSA-N 1 3 317.462 2.002 20 0 DEADHO Cc1cc2c(ncnc2N2CCC([N@H+]3CC[C@@H](N)C3)CC2)s1 ZINC001158258321 798369019 /nfs/dbraw/zinc/36/90/19/798369019.db2.gz WEGMIYUIQPJBAR-GFCCVEGCSA-N 1 3 317.462 2.002 20 0 DEADHO Cc1ccc(F)c(N(C2CC[NH2+]CC2)C2CCN(C)CC2)n1 ZINC001158575794 798433065 /nfs/dbraw/zinc/43/30/65/798433065.db2.gz VYNPROXVHNLCAR-UHFFFAOYSA-N 1 3 306.429 2.182 20 0 DEADHO Cc1nccn1-c1ccc(C[N@@H+]2CCC(F)(F)[C@@H](N)C2)cc1 ZINC001206667675 798515441 /nfs/dbraw/zinc/51/54/41/798515441.db2.gz KDYVLIWWMKVUKA-HNNXBMFYSA-N 1 3 306.360 2.349 20 0 DEADHO Cc1nccn1-c1ccc(C[N@H+]2CCC(F)(F)[C@@H](N)C2)cc1 ZINC001206667675 798515443 /nfs/dbraw/zinc/51/54/43/798515443.db2.gz KDYVLIWWMKVUKA-HNNXBMFYSA-N 1 3 306.360 2.349 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001199788315 798538673 /nfs/dbraw/zinc/53/86/73/798538673.db2.gz PHZYRIZPIGARQJ-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO C[NH+]1C(C)(C)CC(Nc2cc3c(nn2)CCNC3)CC1(C)C ZINC001159397175 798560762 /nfs/dbraw/zinc/56/07/62/798560762.db2.gz HSMZPFQMPCRBEV-UHFFFAOYSA-N 1 3 303.454 2.186 20 0 DEADHO [NH3+]C1CCN(CCc2cn(-c3ncccn3)c3ccccc23)CC1 ZINC001159460000 798566900 /nfs/dbraw/zinc/56/69/00/798566900.db2.gz KBLZAYYUVIMLFN-UHFFFAOYSA-N 1 3 321.428 2.386 20 0 DEADHO C[C@@H]([NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C)c1ccccc1 ZINC001159933043 798627999 /nfs/dbraw/zinc/62/79/99/798627999.db2.gz YKNILYRERCWPRS-PBHICJAKSA-N 1 3 303.450 2.184 20 0 DEADHO C[C@@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C)c1ccccc1 ZINC001159933044 798628265 /nfs/dbraw/zinc/62/82/65/798628265.db2.gz YKNILYRERCWPRS-RHSMWYFYSA-N 1 3 303.450 2.184 20 0 DEADHO CN(C)c1cccc(NCc2ccccc2N2CC[NH2+]CC2)n1 ZINC001160108177 798649394 /nfs/dbraw/zinc/64/93/94/798649394.db2.gz FXBUYVSVMKAODK-UHFFFAOYSA-N 1 3 311.433 2.169 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C)cc1C ZINC001160427032 798686409 /nfs/dbraw/zinc/68/64/09/798686409.db2.gz LRRUAADQBGAPOY-SFHVURJKSA-N 1 3 319.493 2.486 20 0 DEADHO CC[C@H](C(=O)N1CCC([NH2+]CC=C(Cl)Cl)CC1)N(C)C ZINC001201238931 798723795 /nfs/dbraw/zinc/72/37/95/798723795.db2.gz FHFGQPZNDNPAID-GFCCVEGCSA-N 1 3 322.280 2.226 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+]CCCc1ccc(C)cc1)N(C)C ZINC001160883655 798755117 /nfs/dbraw/zinc/75/51/17/798755117.db2.gz RNNDFOQSCURLOW-GOSISDBHSA-N 1 3 319.493 2.364 20 0 DEADHO CN(CCN(C)C(=O)C[C@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC001161161537 798803358 /nfs/dbraw/zinc/80/33/58/798803358.db2.gz WCWLZEUCAFNMQU-QGZVFWFLSA-N 1 3 303.450 2.109 20 0 DEADHO CC[C@H](C)[C@@H]([NH2+]C)C(=O)N(C)CCN(C)Cc1ccccc1 ZINC001161161340 798804112 /nfs/dbraw/zinc/80/41/12/798804112.db2.gz SXHCDRQOASLOFR-DOTOQJQBSA-N 1 3 305.466 2.211 20 0 DEADHO CC(C)=CC[N@H+]1CC=C(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001161212786 798811412 /nfs/dbraw/zinc/81/14/12/798811412.db2.gz ALEMOKFUBBWDFN-KRWDZBQOSA-N 1 3 319.493 2.433 20 0 DEADHO CC(C)=CC[N@@H+]1CC=C(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001161212786 798811417 /nfs/dbraw/zinc/81/14/17/798811417.db2.gz ALEMOKFUBBWDFN-KRWDZBQOSA-N 1 3 319.493 2.433 20 0 DEADHO CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001161390819 798845171 /nfs/dbraw/zinc/84/51/71/798845171.db2.gz KPLHXOLGVOPBEQ-KRWDZBQOSA-N 1 3 307.482 2.408 20 0 DEADHO CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001161390819 798845176 /nfs/dbraw/zinc/84/51/76/798845176.db2.gz KPLHXOLGVOPBEQ-KRWDZBQOSA-N 1 3 307.482 2.408 20 0 DEADHO CNC(=O)C[N@@H+]1CCCC12CCN(CCCC(F)(F)F)CC2 ZINC001202395657 798886677 /nfs/dbraw/zinc/88/66/77/798886677.db2.gz PYMULCMWTCFYIK-UHFFFAOYSA-N 1 3 321.387 2.005 20 0 DEADHO CNC(=O)C[N@H+]1CCCC12CCN(CCCC(F)(F)F)CC2 ZINC001202395657 798886680 /nfs/dbraw/zinc/88/66/80/798886680.db2.gz PYMULCMWTCFYIK-UHFFFAOYSA-N 1 3 321.387 2.005 20 0 DEADHO CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001161952086 798977534 /nfs/dbraw/zinc/97/75/34/798977534.db2.gz CZXMOCRYEOWXEF-QGZVFWFLSA-N 1 3 307.482 2.409 20 0 DEADHO CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001161952086 798977538 /nfs/dbraw/zinc/97/75/38/798977538.db2.gz CZXMOCRYEOWXEF-QGZVFWFLSA-N 1 3 307.482 2.409 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)[C@@H]3CCCN3CCC)[C@@H]2C1 ZINC001114369041 799072587 /nfs/dbraw/zinc/07/25/87/799072587.db2.gz YBWMYRCOVSWMHO-YTLFJSGRSA-N 1 3 319.493 2.264 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)[C@@H]3CCCN3CCC)[C@@H]2C1 ZINC001114369041 799072593 /nfs/dbraw/zinc/07/25/93/799072593.db2.gz YBWMYRCOVSWMHO-YTLFJSGRSA-N 1 3 319.493 2.264 20 0 DEADHO O=C(CC[NH2+]CC1CC1)N1CCCN(Cc2ccccc2)CC1 ZINC000717157236 799257534 /nfs/dbraw/zinc/25/75/34/799257534.db2.gz SSYGNKQSOOLERH-UHFFFAOYSA-N 1 3 315.461 2.111 20 0 DEADHO Cc1nc2cc(NCC3([NH+](C)C)CCN(C)CC3)ccc2[nH]1 ZINC001164211275 799539432 /nfs/dbraw/zinc/53/94/32/799539432.db2.gz NTOREACHHFHRGA-UHFFFAOYSA-N 1 3 301.438 2.309 20 0 DEADHO CC[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001165485456 799735756 /nfs/dbraw/zinc/73/57/56/799735756.db2.gz WWICJSHFESXRHE-ZBFHGGJFSA-N 1 3 309.498 2.249 20 0 DEADHO CN(CC(=O)NCCC1(C[NH2+]C/C=C\Cl)CC1)C1CCC1 ZINC001165501859 799737879 /nfs/dbraw/zinc/73/78/79/799737879.db2.gz PMHUBXNXECDGLM-OQFOIZHKSA-N 1 3 313.873 2.099 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+][C@H]1CCc2ccccc21 ZINC001166627129 799904333 /nfs/dbraw/zinc/90/43/33/799904333.db2.gz QNWPHBCVLPBQJX-QAPCUYQASA-N 1 3 315.461 2.254 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CCCc1ccsc1 ZINC001166626933 799904387 /nfs/dbraw/zinc/90/43/87/799904387.db2.gz MHVRTUODHUHNGY-OAHLLOKOSA-N 1 3 323.506 2.261 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166627135 799905002 /nfs/dbraw/zinc/90/50/02/799905002.db2.gz QSGRLPDOBQOTEK-HNNXBMFYSA-N 1 3 321.440 2.214 20 0 DEADHO CCc1cccc(C[NH2+]CCCNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001166667881 799916108 /nfs/dbraw/zinc/91/61/08/799916108.db2.gz KHFIQOUPMAFVEP-MRXNPFEDSA-N 1 3 317.477 2.187 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CCC2=CCCCC2)C1 ZINC001166677728 799918057 /nfs/dbraw/zinc/91/80/57/799918057.db2.gz MDGOSXOMCAEEPI-MRXNPFEDSA-N 1 3 307.482 2.315 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166765151 799944846 /nfs/dbraw/zinc/94/48/46/799944846.db2.gz UKQKNXBETSWCGR-MRXNPFEDSA-N 1 3 311.514 2.496 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]C/C=C\Cl)C12CCC2 ZINC001203651329 800100839 /nfs/dbraw/zinc/10/08/39/800100839.db2.gz MWRYFVJTGUNTKQ-WNFXYAGKSA-N 1 3 313.873 2.098 20 0 DEADHO COC(=O)CC[N@H+](CCCN(C)C)Cc1ccc(OC)c(C)c1 ZINC001203897816 800143717 /nfs/dbraw/zinc/14/37/17/800143717.db2.gz FJAXTTJEZWYSMP-UHFFFAOYSA-N 1 3 322.449 2.320 20 0 DEADHO COC(=O)CC[N@@H+](CCCN(C)C)Cc1ccc(OC)c(C)c1 ZINC001203897816 800143721 /nfs/dbraw/zinc/14/37/21/800143721.db2.gz FJAXTTJEZWYSMP-UHFFFAOYSA-N 1 3 322.449 2.320 20 0 DEADHO C[NH+](C)CCCOc1ccc(CN2CCC(C)(O)CC2)cc1 ZINC001204263924 800196371 /nfs/dbraw/zinc/19/63/71/800196371.db2.gz PIXMIFMZDLYISF-UHFFFAOYSA-N 1 3 306.450 2.364 20 0 DEADHO CC(=O)[C@@H]1CCN(Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001204271387 800198550 /nfs/dbraw/zinc/19/85/50/800198550.db2.gz LNVPMYFYUFFDAZ-QGZVFWFLSA-N 1 3 304.434 2.428 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCCC2CCC2)CC1 ZINC001204799259 800258730 /nfs/dbraw/zinc/25/87/30/800258730.db2.gz VDMRCSFVPIHDLS-SFHVURJKSA-N 1 3 321.509 2.489 20 0 DEADHO [NH3+]C[C@@]1(O)CCCCN(Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001205681713 800400911 /nfs/dbraw/zinc/40/09/11/800400911.db2.gz MOHZOFJSBWAFGU-INIZCTEOSA-N 1 3 307.825 2.497 20 0 DEADHO NC[C@@]1(O)CCCC[N@H+](Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001205681713 800400913 /nfs/dbraw/zinc/40/09/13/800400913.db2.gz MOHZOFJSBWAFGU-INIZCTEOSA-N 1 3 307.825 2.497 20 0 DEADHO NC[C@@]1(O)CCCC[N@@H+](Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001205681713 800400916 /nfs/dbraw/zinc/40/09/16/800400916.db2.gz MOHZOFJSBWAFGU-INIZCTEOSA-N 1 3 307.825 2.497 20 0 DEADHO NC[C@@]1(O)CCCC[N@H+](Cc2ccccc2C2CCOCC2)C1 ZINC001205726560 800409311 /nfs/dbraw/zinc/40/93/11/800409311.db2.gz UWZFUDKQKJZTCH-IBGZPJMESA-N 1 3 318.461 2.256 20 0 DEADHO NC[C@@]1(O)CCCC[N@@H+](Cc2ccccc2C2CCOCC2)C1 ZINC001205726560 800409314 /nfs/dbraw/zinc/40/93/14/800409314.db2.gz UWZFUDKQKJZTCH-IBGZPJMESA-N 1 3 318.461 2.256 20 0 DEADHO [NH3+]C[C@@]1(O)CCCCN(Cc2ccccc2C2CCOCC2)C1 ZINC001205726560 800409323 /nfs/dbraw/zinc/40/93/23/800409323.db2.gz UWZFUDKQKJZTCH-IBGZPJMESA-N 1 3 318.461 2.256 20 0 DEADHO C[C@@H]1C[N@H+](Cc2ccc([O-])c3[nH]c(=O)ccc23)CCC[C@@H]1C[NH3+] ZINC001206024341 800460811 /nfs/dbraw/zinc/46/08/11/800460811.db2.gz IPUQGRGMKLBGFE-CHWSQXEVSA-N 1 3 315.417 2.453 20 0 DEADHO C[C@@H]1C[N@@H+](Cc2ccc([O-])c3[nH]c(=O)ccc23)CCC[C@@H]1C[NH3+] ZINC001206024341 800460812 /nfs/dbraw/zinc/46/08/12/800460812.db2.gz IPUQGRGMKLBGFE-CHWSQXEVSA-N 1 3 315.417 2.453 20 0 DEADHO N[C@@H]1CC[N@H+](C[C@H]2CCN(Cc3ccccc3)C2)CC[C@H]1F ZINC001206157190 800481533 /nfs/dbraw/zinc/48/15/33/800481533.db2.gz XELPLSDDYQSYQG-KZNAEPCWSA-N 1 3 305.441 2.270 20 0 DEADHO N[C@@H]1CC[N@@H+](C[C@H]2CCN(Cc3ccccc3)C2)CC[C@H]1F ZINC001206157190 800481538 /nfs/dbraw/zinc/48/15/38/800481538.db2.gz XELPLSDDYQSYQG-KZNAEPCWSA-N 1 3 305.441 2.270 20 0 DEADHO CC(C)NC(=O)c1ccc(C[N@@H+]2CC[C@H](N)[C@@H](F)CC2)cc1 ZINC001206174972 800485143 /nfs/dbraw/zinc/48/51/43/800485143.db2.gz QUBZEJWLGHDEOC-HOTGVXAUSA-N 1 3 307.413 2.086 20 0 DEADHO CC(C)NC(=O)c1ccc(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)cc1 ZINC001206174972 800485151 /nfs/dbraw/zinc/48/51/51/800485151.db2.gz QUBZEJWLGHDEOC-HOTGVXAUSA-N 1 3 307.413 2.086 20 0 DEADHO CC[C@H](C)C[NH2+]CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001206275729 800501208 /nfs/dbraw/zinc/50/12/08/800501208.db2.gz ZMIMGDKHYVFGQV-JKSUJKDBSA-N 1 3 309.498 2.203 20 0 DEADHO CCCC[NH2+]CC1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001206287753 800502265 /nfs/dbraw/zinc/50/22/65/800502265.db2.gz HGHQZWABMQYFMJ-UHFFFAOYSA-N 1 3 309.498 2.347 20 0 DEADHO [NH3+]C[C@@H]1CCCCN(Cc2ccccc2N2CCOCC2)C1 ZINC001206624040 800566507 /nfs/dbraw/zinc/56/65/07/800566507.db2.gz QXWANWSQKSPVLR-INIZCTEOSA-N 1 3 303.450 2.084 20 0 DEADHO CC(C)NC(=O)c1ccc(CN2CCCC[C@H](C[NH3+])C2)cc1 ZINC001206624251 800567373 /nfs/dbraw/zinc/56/73/73/800567373.db2.gz RXENZUCLJSIJGC-MRXNPFEDSA-N 1 3 303.450 2.386 20 0 DEADHO CCCC[NH2+]CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001206684397 800573690 /nfs/dbraw/zinc/57/36/90/800573690.db2.gz XSHMLQHLCYEXIR-UHFFFAOYSA-N 1 3 309.498 2.347 20 0 DEADHO [NH3+]CC1CCC(C(=O)N2CCN(CC3CCCCC3)CC2)CC1 ZINC000164454345 800634486 /nfs/dbraw/zinc/63/44/86/800634486.db2.gz JAZDAWNBFXVDDH-UHFFFAOYSA-N 1 3 321.509 2.476 20 0 DEADHO C[NH+](C)CC(C)(C)CN1CCCN(Cc2ccncc2)CC1 ZINC001207276482 800720992 /nfs/dbraw/zinc/72/09/92/800720992.db2.gz XUCCPQGJFUXXDW-UHFFFAOYSA-N 1 3 304.482 2.177 20 0 DEADHO C[NH+]1CCC(CCN2CC3(C2)CN(c2ccccc2)C3=O)CC1 ZINC001207483748 800765315 /nfs/dbraw/zinc/76/53/15/800765315.db2.gz HSXRRNIEKPRMNJ-UHFFFAOYSA-N 1 3 313.445 2.067 20 0 DEADHO C[NH+](C)CCN1CCN(CCCc2cccc(Cl)c2)CC1 ZINC001207585610 800784323 /nfs/dbraw/zinc/78/43/23/800784323.db2.gz VTSKSSVSAYRAFK-UHFFFAOYSA-N 1 3 309.885 2.452 20 0 DEADHO C[NH+](C)CCCN1CCN(CCCc2cccc(F)c2)CC1 ZINC001207604849 800787113 /nfs/dbraw/zinc/78/71/13/800787113.db2.gz DUKACRGBXVELDP-UHFFFAOYSA-N 1 3 307.457 2.328 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+]CCC(F)(F)F)C2)CCC1 ZINC001208330595 800956704 /nfs/dbraw/zinc/95/67/04/800956704.db2.gz AJICUBDLNKFRFR-LBPRGKRZSA-N 1 3 321.387 2.004 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]CC2CCCC2)C1 ZINC001208446897 800984674 /nfs/dbraw/zinc/98/46/74/800984674.db2.gz CLSALKSGGQLHJM-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001208530366 801005436 /nfs/dbraw/zinc/00/54/36/801005436.db2.gz RORMXVLZJJJXHQ-LYHUAREISA-N 1 3 309.498 2.365 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001208530366 801005442 /nfs/dbraw/zinc/00/54/42/801005442.db2.gz RORMXVLZJJJXHQ-LYHUAREISA-N 1 3 309.498 2.365 20 0 DEADHO C[N@@H+]1CCC[C@H](CN2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC001208607026 801027473 /nfs/dbraw/zinc/02/74/73/801027473.db2.gz KUXIAFFACPVGNK-GJZGRUSLSA-N 1 3 311.470 2.317 20 0 DEADHO C[N@H+]1CCC[C@H](CN2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC001208607026 801027479 /nfs/dbraw/zinc/02/74/79/801027479.db2.gz KUXIAFFACPVGNK-GJZGRUSLSA-N 1 3 311.470 2.317 20 0 DEADHO CC/C=C\CC[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001208727891 801056870 /nfs/dbraw/zinc/05/68/70/801056870.db2.gz UPOYWUBAMKEDBD-WAYWQWQTSA-N 1 3 317.477 2.167 20 0 DEADHO CC/C=C\CC[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001208727891 801056875 /nfs/dbraw/zinc/05/68/75/801056875.db2.gz UPOYWUBAMKEDBD-WAYWQWQTSA-N 1 3 317.477 2.167 20 0 DEADHO COc1ccc(CCN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)cc1OC ZINC001208752682 801063617 /nfs/dbraw/zinc/06/36/17/801063617.db2.gz WBXHDAVEVAASDX-CVEARBPZSA-N 1 3 304.434 2.130 20 0 DEADHO COc1ccc(CCN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)cc1OC ZINC001208752682 801063621 /nfs/dbraw/zinc/06/36/21/801063621.db2.gz WBXHDAVEVAASDX-CVEARBPZSA-N 1 3 304.434 2.130 20 0 DEADHO c1ccc(C[N@H+]2CC[C@H](CN3CC[C@@H]4COC[C@@H]4C3)C2)cc1 ZINC001208940904 801099080 /nfs/dbraw/zinc/09/90/80/801099080.db2.gz HYGIOBNQPADZKE-OTWHNJEPSA-N 1 3 300.446 2.477 20 0 DEADHO c1ccc(C[N@@H+]2CC[C@H](CN3CC[C@@H]4COC[C@@H]4C3)C2)cc1 ZINC001208940904 801099083 /nfs/dbraw/zinc/09/90/83/801099083.db2.gz HYGIOBNQPADZKE-OTWHNJEPSA-N 1 3 300.446 2.477 20 0 DEADHO CC1(C)OCC(C[NH+]2CCC(N3CCC(F)CC3)CC2)CO1 ZINC001209197942 801148016 /nfs/dbraw/zinc/14/80/16/801148016.db2.gz AYUVBRUQVNNATD-UHFFFAOYSA-N 1 3 314.445 2.284 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCCCCF)C1)N(C)C ZINC001209484068 801199492 /nfs/dbraw/zinc/19/94/92/801199492.db2.gz FWEYMDAQBJSHIM-HZPDHXFCSA-N 1 3 315.477 2.293 20 0 DEADHO C[NH+](C)CCC(=O)NC1CCN(C/C=C/c2ccccc2)CC1 ZINC001228992328 801206662 /nfs/dbraw/zinc/20/66/62/801206662.db2.gz PLTRPSGAVUBHCR-RMKNXTFCSA-N 1 3 315.461 2.232 20 0 DEADHO CCCCCC[NH2+][C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001209643741 801244994 /nfs/dbraw/zinc/24/49/94/801244994.db2.gz WGQUNAJVKUCTKB-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO CC[C@H](C)C[NH2+][C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209659682 801249335 /nfs/dbraw/zinc/24/93/35/801249335.db2.gz HHFYYPUKUVMRSW-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO CN(CC(=O)N1CCC[C@H]([NH2+]C/C=C\Cl)C1)CC(C)(C)C ZINC001209690554 801256046 /nfs/dbraw/zinc/25/60/46/801256046.db2.gz RRGBAFNWUNLHHF-QPBFKRLHSA-N 1 3 315.889 2.297 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001210221304 801354784 /nfs/dbraw/zinc/35/47/84/801354784.db2.gz ZLAALRBTABZGKL-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCCF ZINC001230284447 801380598 /nfs/dbraw/zinc/38/05/98/801380598.db2.gz FWSXRUKVQUNAPT-HZPDHXFCSA-N 1 3 315.477 2.483 20 0 DEADHO Nc1[nH]c2ccc(O[C@H]3CC[C@H](N4CCOCC4)CC3)cc2[nH+]1 ZINC001230516581 801409284 /nfs/dbraw/zinc/40/92/84/801409284.db2.gz SBIXFXQBXDFWTL-JOCQHMNTSA-N 1 3 316.405 2.167 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001210810868 801467677 /nfs/dbraw/zinc/46/76/77/801467677.db2.gz FXBVZDPRFLPVQJ-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CCCCCF)C1 ZINC001210810882 801468621 /nfs/dbraw/zinc/46/86/21/801468621.db2.gz GJDDUDYXNUZXFA-OAHLLOKOSA-N 1 3 301.450 2.049 20 0 DEADHO CC[C@@H](F)CN[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211240767 801536082 /nfs/dbraw/zinc/53/60/82/801536082.db2.gz PMHFPDPPJRSKFH-HZPDHXFCSA-N 1 3 313.461 2.191 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001211268652 801540792 /nfs/dbraw/zinc/54/07/92/801540792.db2.gz KZABWUVIBINIRR-SFHVURJKSA-N 1 3 317.477 2.416 20 0 DEADHO C[NH+](C)Cc1ccc(-c2noc(-c3ccc(CN)nc3)n2)cc1 ZINC001214113491 801675951 /nfs/dbraw/zinc/67/59/51/801675951.db2.gz DVXWKKXJELLQSU-UHFFFAOYSA-N 1 3 309.373 2.319 20 0 DEADHO CCC(CC)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001215540859 801872736 /nfs/dbraw/zinc/87/27/36/801872736.db2.gz SHACWUCPLZIOPD-BFYDXBDKSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CCC(C)(C)C ZINC001215540262 801873095 /nfs/dbraw/zinc/87/30/95/801873095.db2.gz JXUBDVUSSDGSPG-ARFHVFGLSA-N 1 3 309.498 2.201 20 0 DEADHO COC(=O)c1cc(CN(C)CC2CC[NH+](C(C)C)CC2)ccn1 ZINC001232771476 801953883 /nfs/dbraw/zinc/95/38/83/801953883.db2.gz YMMBCKKCZNMZMT-UHFFFAOYSA-N 1 3 319.449 2.420 20 0 DEADHO Cc1cnc(Cl)c(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)c1 ZINC001218547067 802203671 /nfs/dbraw/zinc/20/36/71/802203671.db2.gz ZRICCOMWYHNFOF-LBPRGKRZSA-N 1 3 312.845 2.478 20 0 DEADHO C[C@H](C(=O)Nc1cc([C@@H]2CCCN2)no1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001218709877 802230530 /nfs/dbraw/zinc/23/05/30/802230530.db2.gz BQLBQBDACFBWAD-XQHKEYJVSA-N 1 3 306.410 2.062 20 0 DEADHO O=C(Nc1cc([C@@H]2CCCN2)no1)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001218714406 802231116 /nfs/dbraw/zinc/23/11/16/802231116.db2.gz YFJJYPLIULYHIA-STQMWFEESA-N 1 3 318.421 2.208 20 0 DEADHO C[NH+]1CCC(c2ccc(NC(=O)[C@@H](N)CC(F)F)cc2)CC1 ZINC001218823695 802245588 /nfs/dbraw/zinc/24/55/88/802245588.db2.gz VAQIBBVAZYZXAZ-AWEZNQCLSA-N 1 3 311.376 2.417 20 0 DEADHO N[C@@H](CCCC[NH3+])C(=O)Nc1c(Cl)ccc2ncccc21 ZINC001218904616 802258104 /nfs/dbraw/zinc/25/81/04/802258104.db2.gz FJVJKYNVWFKMMJ-LBPRGKRZSA-N 1 3 306.797 2.283 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccc2ncncc2c1 ZINC001219107548 802282837 /nfs/dbraw/zinc/28/28/37/802282837.db2.gz LPLFMHJEWXBLDQ-HNNXBMFYSA-N 1 3 315.421 2.064 20 0 DEADHO O=C(Nc1cccc(F)c1OC1CC[NH2+]CC1)[C@@H]1CCCCN1 ZINC001219301046 802308129 /nfs/dbraw/zinc/30/81/29/802308129.db2.gz GTJLVWMBVFOCKZ-HNNXBMFYSA-N 1 3 321.396 2.037 20 0 DEADHO O=C(NC[C@]1(F)CCC[NH2+]C1)[C@@H]1CCC[C@H](c2ccccc2)N1 ZINC001219771040 802375119 /nfs/dbraw/zinc/37/51/19/802375119.db2.gz HJFCQJRMOQBXFY-RYRKJORJSA-N 1 3 319.424 2.078 20 0 DEADHO N[C@H](CC(=O)NC[C@H]1C[C@@H]([NH3+])C1)c1ccc(Cl)cc1Cl ZINC001220150225 802417257 /nfs/dbraw/zinc/41/72/57/802417257.db2.gz VEFOLWGTZLZNFL-DFAYQTQMSA-N 1 3 316.232 2.237 20 0 DEADHO NC(C(=O)NCC1CC[NH+](C2CCCCC2)CC1)C(F)(F)F ZINC001220261159 802434289 /nfs/dbraw/zinc/43/42/89/802434289.db2.gz SLQAPAVJRDEJGO-CYBMUJFWSA-N 1 3 321.387 2.037 20 0 DEADHO N[C@@H](CCC[NH3+])C(=O)NC1c2ccccc2Oc2ccccc21 ZINC001220722396 802489487 /nfs/dbraw/zinc/48/94/87/802489487.db2.gz ZCAAPELMRSUJPN-AWEZNQCLSA-N 1 3 311.385 2.064 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)NCc1sccc1Cl ZINC001220822041 802501605 /nfs/dbraw/zinc/50/16/05/802501605.db2.gz UJSRGMXLDFGTOJ-NSHDSACASA-N 1 3 303.859 2.077 20 0 DEADHO C[C@@]1([NH3+])C[C@H](NC(=O)[C@@H](N)Cc2ccc(-c3ccccc3)cc2)C1 ZINC001221238886 802542044 /nfs/dbraw/zinc/54/20/44/802542044.db2.gz FOPUOPLVFFBQIJ-CMKODMSKSA-N 1 3 323.440 2.219 20 0 DEADHO CCCC(C[NH3+])(CCC)NC(=O)C[C@@H](N)c1cccc(OC)c1 ZINC001221373944 802561640 /nfs/dbraw/zinc/56/16/40/802561640.db2.gz PRMODNDDVFFXEL-MRXNPFEDSA-N 1 3 321.465 2.499 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)N(CC)CC)[C@@H]2C1 ZINC001221811599 802618368 /nfs/dbraw/zinc/61/83/68/802618368.db2.gz BQELBWJGEZLIBS-BRWVUGGUSA-N 1 3 309.498 2.440 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)N(CC)CC)[C@@H]2C1 ZINC001221811599 802618371 /nfs/dbraw/zinc/61/83/71/802618371.db2.gz BQELBWJGEZLIBS-BRWVUGGUSA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN(CC=C(C)C)C[C@H]21 ZINC001221968219 802629519 /nfs/dbraw/zinc/62/95/19/802629519.db2.gz HXUZKQSNWCQETA-IAGOWNOFSA-N 1 3 307.482 2.217 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(CC=C(C)C)C[C@H]21 ZINC001221968219 802629520 /nfs/dbraw/zinc/62/95/20/802629520.db2.gz HXUZKQSNWCQETA-IAGOWNOFSA-N 1 3 307.482 2.217 20 0 DEADHO CC(C)(C(=O)NCC1CC[NH+](CCC2CC2)CC1)N1CCCC1 ZINC001224024785 802830719 /nfs/dbraw/zinc/83/07/19/802830719.db2.gz NPWGDVNYRACYDJ-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CC1CC(C[NH+]2CCC(CNC(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001224537115 802880258 /nfs/dbraw/zinc/88/02/58/802880258.db2.gz QBYQSLVJQXFNIZ-UPTPFMHGSA-N 1 3 321.509 2.345 20 0 DEADHO CC1CC(C[NH+]2CCC(CNC(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001224560465 802881337 /nfs/dbraw/zinc/88/13/37/802881337.db2.gz URAZHISWGCLIOI-KLHKWILBSA-N 1 3 321.509 2.203 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N(C)C ZINC001226801102 803162689 /nfs/dbraw/zinc/16/26/89/803162689.db2.gz RWCGUEVTHQQKKG-ZACQAIPSSA-N 1 3 307.482 2.310 20 0 DEADHO CN(C)[C@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)C1CC1 ZINC001227798431 803281114 /nfs/dbraw/zinc/28/11/14/803281114.db2.gz XWEFCQRTLQQEHL-KRWDZBQOSA-N 1 3 307.482 2.097 20 0 DEADHO CCC(CC)C[NH+]1CCC(NC(=O)C2(N(C)C)CCC2)CC1 ZINC001227807307 803282944 /nfs/dbraw/zinc/28/29/44/803282944.db2.gz QSWZWISLQUGRFS-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)NC1CC[NH+](CCCCCF)CC1)N(C)C ZINC001227980663 803300910 /nfs/dbraw/zinc/30/09/10/803300910.db2.gz VHVMAJJYWHAJKK-OAHLLOKOSA-N 1 3 301.450 2.047 20 0 DEADHO CCN(C)C(C)(C)C(=O)NC1CC[NH+](CC[C@H](C)F)CC1 ZINC001228066962 803314487 /nfs/dbraw/zinc/31/44/87/803314487.db2.gz ZLJPRQXDGPTLIQ-ZDUSSCGKSA-N 1 3 301.450 2.045 20 0 DEADHO C[C@@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001418089858 1167404763 /nfs/dbraw/zinc/40/47/63/1167404763.db2.gz AGDKSLMDGOZCMH-KFWWJZLASA-N 1 3 313.461 2.236 20 0 DEADHO C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CCN(C2CC2)C1 ZINC001328052320 1148707179 /nfs/dbraw/zinc/70/71/79/1148707179.db2.gz VHPIZQKYFLLKCX-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)C[NH+]1CCC2(C[C@@H]2NC(=O)C2(N(C)C)CCC2)CC1 ZINC001370089067 1149384086 /nfs/dbraw/zinc/38/40/86/1149384086.db2.gz WHADRBHLSSZCFX-HNNXBMFYSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1cc(N)nc(NCc2ccc(OCCC[NH+](C)C)cc2)n1 ZINC001334922149 1150355035 /nfs/dbraw/zinc/35/50/35/1150355035.db2.gz RTOVBPIRACKLDB-UHFFFAOYSA-N 1 3 315.421 2.310 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCC1)N(C)C ZINC001419590243 1168635263 /nfs/dbraw/zinc/63/52/63/1168635263.db2.gz AYWIYOHFGZWNPM-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1CC1CCC1)N(C)C ZINC001419590243 1168635276 /nfs/dbraw/zinc/63/52/76/1168635276.db2.gz AYWIYOHFGZWNPM-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO COc1ccc(CC[NH2+]Cc2cc3c(s2)CCNC3)cn1 ZINC001335946416 1150566847 /nfs/dbraw/zinc/56/68/47/1150566847.db2.gz BHMDQGXGYHMFSP-UHFFFAOYSA-N 1 3 303.431 2.130 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccsc2)C1 ZINC001368347277 1148420096 /nfs/dbraw/zinc/42/00/96/1148420096.db2.gz UGZQOHMFWBIWNE-GDBMZVCRSA-N 1 3 323.506 2.415 20 0 DEADHO CN(CC(=O)NCC[C@@H]1CC[N@H+](CC2CC2)C1)CC(C)(C)C ZINC001404513814 1163690944 /nfs/dbraw/zinc/69/09/44/1163690944.db2.gz KVNKSEPBNCUBRP-MRXNPFEDSA-N 1 3 309.498 2.203 20 0 DEADHO CN(CC(=O)NCC[C@@H]1CC[N@@H+](CC2CC2)C1)CC(C)(C)C ZINC001404513814 1163690947 /nfs/dbraw/zinc/69/09/47/1163690947.db2.gz KVNKSEPBNCUBRP-MRXNPFEDSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)CC[NH2+]C1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC001424853050 1173989539 /nfs/dbraw/zinc/98/95/39/1173989539.db2.gz GYTUAAHIXDBDGE-UHFFFAOYSA-N 1 3 306.454 2.358 20 0 DEADHO CC(C)(C)N1CC[C@H]1CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC001575138606 1069377135 /nfs/dbraw/zinc/37/71/35/1069377135.db2.gz AAICKGGKWJEZBB-LXINESAQSA-N 1 3 307.482 2.129 20 0 DEADHO CC(C)(C)OC(=O)N1CCN(CC[C@@H]2CC[NH2+]C2)C(C)(C)C1 ZINC001575194895 1069389418 /nfs/dbraw/zinc/38/94/18/1069389418.db2.gz HHEUXINTIBHJHN-AWEZNQCLSA-N 1 3 311.470 2.317 20 0 DEADHO C[C@@H](F)CC[N@H+](C)[C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001368976257 1148814567 /nfs/dbraw/zinc/81/45/67/1148814567.db2.gz HMSPDNRPJISEIC-ZIAGYGMSSA-N 1 3 303.466 2.149 20 0 DEADHO C[C@@H](F)CC[N@@H+](C)[C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001368976257 1148814568 /nfs/dbraw/zinc/81/45/68/1148814568.db2.gz HMSPDNRPJISEIC-ZIAGYGMSSA-N 1 3 303.466 2.149 20 0 DEADHO CN(CCC[N@H+](C)CCC1CCCC1)C(=O)[C@H]1CCCN1C ZINC001368530468 1148481021 /nfs/dbraw/zinc/48/10/21/1148481021.db2.gz UDSBLJRRKQCZGL-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CN(CCC[N@@H+](C)CCC1CCCC1)C(=O)[C@H]1CCCN1C ZINC001368530468 1148481022 /nfs/dbraw/zinc/48/10/22/1148481022.db2.gz UDSBLJRRKQCZGL-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@@H](C)C[NH+]1CC([C@@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001369093665 1148847372 /nfs/dbraw/zinc/84/73/72/1148847372.db2.gz OKDVMENKCZXSBW-HUUCEWRRSA-N 1 3 311.514 2.447 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C[NH2+]C/C=C\Cl)C1CCCC1)N(C)C ZINC001500097144 1058487293 /nfs/dbraw/zinc/48/72/93/1058487293.db2.gz QBANGNJWBJGCHD-KZMHERFSSA-N 1 3 315.889 2.344 20 0 DEADHO C[C@H](C(=O)N[C@]1(C)CC[N@H+](CCCF)C1)N1CCCCCC1 ZINC001500265680 1058650376 /nfs/dbraw/zinc/65/03/76/1058650376.db2.gz SGAPVQQACCKTNF-NVXWUHKLSA-N 1 3 313.461 2.191 20 0 DEADHO C[C@H](C(=O)N[C@]1(C)CC[N@@H+](CCCF)C1)N1CCCCCC1 ZINC001500265680 1058650380 /nfs/dbraw/zinc/65/03/80/1058650380.db2.gz SGAPVQQACCKTNF-NVXWUHKLSA-N 1 3 313.461 2.191 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+]CCC2(CO)CCC2)CC1 ZINC001462390303 1058817000 /nfs/dbraw/zinc/81/70/00/1058817000.db2.gz ABLJCMQCSVCPCW-UHFFFAOYSA-N 1 3 310.482 2.162 20 0 DEADHO CN1C[C@@H]2CC[C@H]([NH2+]C[C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)[C@@H]2C1 ZINC001462672933 1058882311 /nfs/dbraw/zinc/88/23/11/1058882311.db2.gz WGSXIECYNVLLAR-RBZJEDDUSA-N 1 3 323.481 2.220 20 0 DEADHO CN(C)CCN(Cc1ccco1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001465793711 1059364937 /nfs/dbraw/zinc/36/49/37/1059364937.db2.gz ZALNVENRCPYTIA-HOTGVXAUSA-N 1 3 321.465 2.290 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@H](CC[NH2+]CCCC2CCC2)C1 ZINC001501621866 1059579825 /nfs/dbraw/zinc/57/98/25/1059579825.db2.gz LBHFVKKLVHMLPU-INIZCTEOSA-N 1 3 318.465 2.361 20 0 DEADHO CC(C)=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001501640859 1059599295 /nfs/dbraw/zinc/59/92/95/1059599295.db2.gz LDXGXOJEVLVYCV-DLBZAZTESA-N 1 3 309.498 2.367 20 0 DEADHO CC/C=C/CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001502771765 1060288676 /nfs/dbraw/zinc/28/86/76/1060288676.db2.gz AQSKXIZXABGHHQ-SQRWCISFSA-N 1 3 307.482 2.408 20 0 DEADHO CC[N@H+](CC[C@H](C)F)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001505399526 1060531442 /nfs/dbraw/zinc/53/14/42/1060531442.db2.gz QEYLHDHUUWPZSA-AWEZNQCLSA-N 1 3 324.444 2.261 20 0 DEADHO CC[N@@H+](CC[C@H](C)F)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001505399526 1060531466 /nfs/dbraw/zinc/53/14/66/1060531466.db2.gz QEYLHDHUUWPZSA-AWEZNQCLSA-N 1 3 324.444 2.261 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)NCc1cc(C)ccc1F ZINC001505724957 1060903301 /nfs/dbraw/zinc/90/33/01/1060903301.db2.gz NLRUNULTQARMCP-HUUCEWRRSA-N 1 3 323.456 2.459 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H](C)NCc1cc(C)ccc1F ZINC001505724957 1060903318 /nfs/dbraw/zinc/90/33/18/1060903318.db2.gz NLRUNULTQARMCP-HUUCEWRRSA-N 1 3 323.456 2.459 20 0 DEADHO Cc1cc(F)ccc1CN(C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001505992815 1061226313 /nfs/dbraw/zinc/22/63/13/1061226313.db2.gz IWOTXPRLOMZZHY-AWEZNQCLSA-N 1 3 309.429 2.022 20 0 DEADHO CCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001479270912 1061351323 /nfs/dbraw/zinc/35/13/23/1061351323.db2.gz PZRFDVSZYSTGAM-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)=CC[NH2+][C@H]1C[C@@H](CNC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001479347973 1061405156 /nfs/dbraw/zinc/40/51/56/1061405156.db2.gz MPAWKBGKTXQNTH-VQHPVUNQSA-N 1 3 307.482 2.310 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C1C[NH+](CC2CCCCC2)C1 ZINC001506672061 1062264600 /nfs/dbraw/zinc/26/46/00/1062264600.db2.gz SFTNPBRQLOMKMI-ZDUSSCGKSA-N 1 3 318.465 2.277 20 0 DEADHO C[C@@H](CCC[NH2+]C/C=C/Cl)NC(=O)C1(N(C)C)CCC1 ZINC001506924561 1062534554 /nfs/dbraw/zinc/53/45/54/1062534554.db2.gz OGPXHZSCIPTZAY-PPOCWRSBSA-N 1 3 301.862 2.098 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCc1ccsc1 ZINC001480527890 1062985713 /nfs/dbraw/zinc/98/57/13/1062985713.db2.gz XPNZYFPWYOLWPC-IPYPFGDCSA-N 1 3 309.479 2.073 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCc1ccsc1 ZINC001480527890 1062985727 /nfs/dbraw/zinc/98/57/27/1062985727.db2.gz XPNZYFPWYOLWPC-IPYPFGDCSA-N 1 3 309.479 2.073 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CNC(=O)CN2CC[C@@H](C)C2)c(C)c1 ZINC001480537897 1062999513 /nfs/dbraw/zinc/99/95/13/1062999513.db2.gz RAUHPNFAAXXNLF-WBVHZDCISA-N 1 3 317.477 2.240 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)CNC(=O)CN(C)C(C)C ZINC001480597344 1063089179 /nfs/dbraw/zinc/08/91/79/1063089179.db2.gz PJXAGFXTWIPTSO-HZPDHXFCSA-N 1 3 305.466 2.491 20 0 DEADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCc2ccsc2)C[C@H]1C ZINC001507333231 1063111211 /nfs/dbraw/zinc/11/12/11/1063111211.db2.gz QZSSIEWLKJNBHM-HIFRSBDPSA-N 1 3 309.479 2.169 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCc2ccsc2)C[C@H]1C ZINC001507333231 1063111226 /nfs/dbraw/zinc/11/12/26/1063111226.db2.gz QZSSIEWLKJNBHM-HIFRSBDPSA-N 1 3 309.479 2.169 20 0 DEADHO CC(C)[C@H](C(=O)NCCC[C@H]1CCC[N@@H+]1CC1CC1)N(C)C ZINC001480831152 1063415897 /nfs/dbraw/zinc/41/58/97/1063415897.db2.gz VXGNVDDPONTNTI-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](C(=O)NCCC[C@H]1CCC[N@H+]1CC1CC1)N(C)C ZINC001480831152 1063415907 /nfs/dbraw/zinc/41/59/07/1063415907.db2.gz VXGNVDDPONTNTI-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC[N@H+](CCNC(=O)[C@H]1CCCCN1C(C)C)CC[C@H](C)F ZINC001493029239 1063491848 /nfs/dbraw/zinc/49/18/48/1063491848.db2.gz RTKWBAOBBKSYRZ-JKSUJKDBSA-N 1 3 315.477 2.436 20 0 DEADHO CC[N@@H+](CCNC(=O)[C@H]1CCCCN1C(C)C)CC[C@H](C)F ZINC001493029239 1063491855 /nfs/dbraw/zinc/49/18/55/1063491855.db2.gz RTKWBAOBBKSYRZ-JKSUJKDBSA-N 1 3 315.477 2.436 20 0 DEADHO C[C@@H](F)CC[NH2+]C1CC(N(C)C(=O)CN(C)CC(C)(C)C)C1 ZINC001508137803 1063574936 /nfs/dbraw/zinc/57/49/36/1063574936.db2.gz VOVAEQFWTNDCDI-WLYUNCDWSA-N 1 3 315.477 2.291 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CC[N@H+](CC2CCC2)C1)N1CCCCC1 ZINC001493201338 1063633597 /nfs/dbraw/zinc/63/35/97/1063633597.db2.gz MBWGEFBIVPNJTR-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)(C(=O)NC[C@@H]1CC[N@@H+](CC2CCC2)C1)N1CCCCC1 ZINC001493201338 1063633603 /nfs/dbraw/zinc/63/36/03/1063633603.db2.gz MBWGEFBIVPNJTR-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)Cc1ccsc1 ZINC001493325035 1063719953 /nfs/dbraw/zinc/71/99/53/1063719953.db2.gz KBJVJVHOPXCUIY-HNNXBMFYSA-N 1 3 323.506 2.418 20 0 DEADHO CCCN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)Cc1ccsc1 ZINC001493325035 1063719969 /nfs/dbraw/zinc/71/99/69/1063719969.db2.gz KBJVJVHOPXCUIY-HNNXBMFYSA-N 1 3 323.506 2.418 20 0 DEADHO CN(CC(=O)NCC[N@@H+](CC1CC(C)(C)C1)C1CC1)C1CCC1 ZINC001493376979 1063758034 /nfs/dbraw/zinc/75/80/34/1063758034.db2.gz JJLMLZIBYCALJP-UHFFFAOYSA-N 1 3 321.509 2.488 20 0 DEADHO CN(CC(=O)NCC[N@H+](CC1CC(C)(C)C1)C1CC1)C1CCC1 ZINC001493376979 1063758024 /nfs/dbraw/zinc/75/80/24/1063758024.db2.gz JJLMLZIBYCALJP-UHFFFAOYSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1cc(Cl)ccc1C[NH2+]CCN(C)C(=O)CN1CCCC1 ZINC001493793845 1063966171 /nfs/dbraw/zinc/96/61/71/1063966171.db2.gz NQNKRLOXEVDYQV-UHFFFAOYSA-N 1 3 323.868 2.292 20 0 DEADHO C[C@H]1C[C@@H](C(=O)NCCN(C)CC2=CCCCC2)CC[N@@H+]1C ZINC001567299578 1064139336 /nfs/dbraw/zinc/13/93/36/1064139336.db2.gz IXBFZVXYDIMYDT-RDJZCZTQSA-N 1 3 307.482 2.265 20 0 DEADHO C[C@H]1C[C@@H](C(=O)NCCN(C)CC2=CCCCC2)CC[N@H+]1C ZINC001567299578 1064139340 /nfs/dbraw/zinc/13/93/40/1064139340.db2.gz IXBFZVXYDIMYDT-RDJZCZTQSA-N 1 3 307.482 2.265 20 0 DEADHO C[N@H+](CCC1CCCC1)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001494179266 1064159776 /nfs/dbraw/zinc/15/97/76/1064159776.db2.gz DJOSAOKBPTWMHV-SFHVURJKSA-N 1 3 321.509 2.443 20 0 DEADHO C[N@@H+](CCC1CCCC1)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001494179266 1064159782 /nfs/dbraw/zinc/15/97/82/1064159782.db2.gz DJOSAOKBPTWMHV-SFHVURJKSA-N 1 3 321.509 2.443 20 0 DEADHO CCCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001494202442 1064170692 /nfs/dbraw/zinc/17/06/92/1064170692.db2.gz USBVHXNIMCVDKV-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001494202442 1064170694 /nfs/dbraw/zinc/17/06/94/1064170694.db2.gz USBVHXNIMCVDKV-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CN(CC[NH2+]Cc1ccc(C2CC2)cc1)C(=O)[C@H]1CCCN1C ZINC001567475289 1064216619 /nfs/dbraw/zinc/21/66/19/1064216619.db2.gz GGYRRWCFQYOGDY-GOSISDBHSA-N 1 3 315.461 2.206 20 0 DEADHO CC[C@@H](C(=O)N1CCC(CC)([NH2+]CC2CCC2)CC1)N(C)C ZINC001368592061 1148512158 /nfs/dbraw/zinc/51/21/58/1148512158.db2.gz AVXDKJMHLPEOSI-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC1CC1 ZINC001568153343 1064673863 /nfs/dbraw/zinc/67/38/63/1064673863.db2.gz SPABUQPZZLFHJC-IAGOWNOFSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@@H](C(=O)N[C@@](C)(C[NH2+]CCC(F)(F)F)C1CC1)N(C)C ZINC001495280396 1064804632 /nfs/dbraw/zinc/80/46/32/1064804632.db2.gz NLTMCDDUEHASMB-JSGCOSHPSA-N 1 3 323.403 2.154 20 0 DEADHO C[C@@H](CC[NH2+]Cc1ccccc1)NC(=O)CN(C)C1CCC1 ZINC001568641499 1065014725 /nfs/dbraw/zinc/01/47/25/1065014725.db2.gz XEGNARHJAKSTTI-HNNXBMFYSA-N 1 3 303.450 2.155 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC=C(Cl)Cl)N(C)C ZINC001568700393 1065061460 /nfs/dbraw/zinc/06/14/60/1065061460.db2.gz ZEVMWEKRUHEZPV-QWRGUYRKSA-N 1 3 310.269 2.130 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CC[NH2+]CC1CC2(CCC2)C1 ZINC001568703276 1065063729 /nfs/dbraw/zinc/06/37/29/1065063729.db2.gz KFJHRMIVDWIVBY-ZDUSSCGKSA-N 1 3 318.465 2.325 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC/C=C\C[NH2+]CCC1CCCC1 ZINC001568953208 1065210127 /nfs/dbraw/zinc/21/01/27/1065210127.db2.gz AVKWKDSFQYDLJP-PLNGDYQASA-N 1 3 304.438 2.103 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]C/C=C\Cl ZINC001496488158 1065505764 /nfs/dbraw/zinc/50/57/64/1065505764.db2.gz ONYJWAZUADONPT-NEFCLYRVSA-N 1 3 315.889 2.297 20 0 DEADHO C[C@@H](C(=O)N1CCCC[C@@H]1CNCCF)[NH+]1CCCCCC1 ZINC001570090975 1065919899 /nfs/dbraw/zinc/91/98/99/1065919899.db2.gz LOQAXUPKHDSNOU-JKSUJKDBSA-N 1 3 313.461 2.191 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CCCCCF ZINC001570343891 1066022894 /nfs/dbraw/zinc/02/28/94/1066022894.db2.gz GBUMSPFOEXQFDA-ZBFHGGJFSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](F)CNC[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001497841967 1066358958 /nfs/dbraw/zinc/35/89/58/1066358958.db2.gz CSZHNDCVBIJFHK-KGLIPLIRSA-N 1 3 315.477 2.482 20 0 DEADHO CC[C@H](F)CNC[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001497841967 1066358975 /nfs/dbraw/zinc/35/89/75/1066358975.db2.gz CSZHNDCVBIJFHK-KGLIPLIRSA-N 1 3 315.477 2.482 20 0 DEADHO CC(C)CSCCC[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC001575617981 1066377200 /nfs/dbraw/zinc/37/72/00/1066377200.db2.gz WSKQYYIFVYUCOP-HNNXBMFYSA-N 1 3 311.499 2.153 20 0 DEADHO CC(C)CSCCC[N@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC001575617981 1066377214 /nfs/dbraw/zinc/37/72/14/1066377214.db2.gz WSKQYYIFVYUCOP-HNNXBMFYSA-N 1 3 311.499 2.153 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+][C@H]1CCc2ccccc21 ZINC001498197816 1066552710 /nfs/dbraw/zinc/55/27/10/1066552710.db2.gz WMZQTSKZOQJOOQ-YOEHRIQHSA-N 1 3 303.450 2.108 20 0 DEADHO C[C@H](c1ccccc1)[C@@H](NCc1cccc2c1CC[NH2+]C2)C(N)=O ZINC001576311270 1066557016 /nfs/dbraw/zinc/55/70/16/1066557016.db2.gz PMOOMZDHMSBOMA-AUUYWEPGSA-N 1 3 323.440 2.080 20 0 DEADHO C[C@@H]1CN(C(=O)C2(C3CC[NH2+]CC3)CC2)CCN1C1CCCC1 ZINC001576760401 1066681289 /nfs/dbraw/zinc/68/12/89/1066681289.db2.gz PJGPITXKWVTIAC-OAHLLOKOSA-N 1 3 319.493 2.242 20 0 DEADHO CCCN(C)CC(=O)N(C)CCC[NH2+][C@H]1CCc2ccccc21 ZINC001498643921 1066817598 /nfs/dbraw/zinc/81/75/98/1066817598.db2.gz NHGPSDQJPKHTMF-SFHVURJKSA-N 1 3 317.477 2.454 20 0 DEADHO CCC[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC001577377784 1066828159 /nfs/dbraw/zinc/82/81/59/1066828159.db2.gz XHYOMLTYYYCLKB-BBWFWOEESA-N 1 3 309.498 2.380 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC001577548394 1066872927 /nfs/dbraw/zinc/87/29/27/1066872927.db2.gz PZKIAGOQWNIJTL-MRXNPFEDSA-N 1 3 317.477 2.498 20 0 DEADHO CC[NH2+][C@H](C)CN[C@@H]1CC[C@@H](C(=O)OCC)[C@@H](C(F)(F)F)C1 ZINC001577887105 1066942545 /nfs/dbraw/zinc/94/25/45/1066942545.db2.gz JHJJKPXXMSNCKO-LPWJVIDDSA-N 1 3 324.387 2.484 20 0 DEADHO CCO[C@@H]1C[C@](CO)([NH2+]C[C@@H](N)CCC(C)(C)C)C1(C)C ZINC001578086971 1066978603 /nfs/dbraw/zinc/97/86/03/1066978603.db2.gz AYXXKUCTKCDSBN-JJRVBVJISA-N 1 3 300.487 2.296 20 0 DEADHO CN(C)C(=O)OC[C@@H]1CCCCN1Cc1ccc(C[NH3+])cc1 ZINC001578402927 1067085346 /nfs/dbraw/zinc/08/53/46/1067085346.db2.gz FAKGEEFXKBIIDP-INIZCTEOSA-N 1 3 305.422 2.198 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C[C@H](N)c3ccccc3)C[C@H]2C1 ZINC001578410958 1067089988 /nfs/dbraw/zinc/08/99/88/1067089988.db2.gz NRIZCBCYTBNNFI-TVFCKZIOSA-N 1 3 315.461 2.265 20 0 DEADHO C[NH+](C)CC1(CNC(=O)C[C@H]2NCc3ccccc32)CCCC1 ZINC001578412899 1067091774 /nfs/dbraw/zinc/09/17/74/1067091774.db2.gz WODYJAWRGKOCOH-QGZVFWFLSA-N 1 3 315.461 2.459 20 0 DEADHO CN(CCN1CCCCC1)C(=O)[C@H](C[NH3+])C1CCCCCC1 ZINC001578470993 1067113138 /nfs/dbraw/zinc/11/31/38/1067113138.db2.gz LEJLYQOKLPWMSQ-QGZVFWFLSA-N 1 3 309.498 2.476 20 0 DEADHO CN(Cc1cc(C(C)(C)C)[nH]n1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001578486423 1067117718 /nfs/dbraw/zinc/11/77/18/1067117718.db2.gz VSNOMSYSKHORAJ-OAHLLOKOSA-N 1 3 320.481 2.298 20 0 DEADHO COC(=O)[C@@H]1CN(C[C@H](C)CC2CCCCC2)CC12C[NH2+]C2 ZINC001578797396 1067173377 /nfs/dbraw/zinc/17/33/77/1067173377.db2.gz PBYHNNINLZTBAK-ZBFHGGJFSA-N 1 3 308.466 2.287 20 0 DEADHO COCC[C@@H](N)C[NH2+]Cc1ccc(C)c(Br)c1 ZINC001579004908 1067219121 /nfs/dbraw/zinc/21/91/21/1067219121.db2.gz YAJIRMSDOVZKMP-GFCCVEGCSA-N 1 3 301.228 2.211 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)NCC2(NCc3ccc(Cl)cc3)CC2)C1 ZINC001499448166 1067224102 /nfs/dbraw/zinc/22/41/02/1067224102.db2.gz GLSYJGZUUYYJMB-CQSZACIVSA-N 1 3 321.852 2.030 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)NCC2(NCc3ccc(Cl)cc3)CC2)C1 ZINC001499448166 1067224113 /nfs/dbraw/zinc/22/41/13/1067224113.db2.gz GLSYJGZUUYYJMB-CQSZACIVSA-N 1 3 321.852 2.030 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001579454676 1067346387 /nfs/dbraw/zinc/34/63/87/1067346387.db2.gz VAADTUCWPHWQAQ-KFWWJZLASA-N 1 3 311.470 2.031 20 0 DEADHO Cc1ccc(-c2noc(CCCN[C@@H](C[NH3+])C3CC3)n2)cc1F ZINC001579655847 1067398548 /nfs/dbraw/zinc/39/85/48/1067398548.db2.gz KURGVLWHSSBNSS-HNNXBMFYSA-N 1 3 318.396 2.444 20 0 DEADHO Cc1ccc(N2CCC[C@@H](N3CCC4(C[NH2+]C4)CC3)C2=O)cc1 ZINC001579715179 1067408757 /nfs/dbraw/zinc/40/87/57/1067408757.db2.gz TXSWEFFXRGBIJH-QGZVFWFLSA-N 1 3 313.445 2.176 20 0 DEADHO [NH3+][C@@H](CNc1ccccc1CN1CCC(O)CC1)CC(F)F ZINC001580132398 1067504086 /nfs/dbraw/zinc/50/40/86/1067504086.db2.gz NXLJCAGKVHKMFD-CYBMUJFWSA-N 1 3 313.392 2.038 20 0 DEADHO CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001267058921 1078536106 /nfs/dbraw/zinc/53/61/06/1078536106.db2.gz RAWUAIDPFAKJLF-XVWMLYKFSA-N 1 3 304.438 2.137 20 0 DEADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3cn4ccnc4s3)CC2)C1 ZINC001580200682 1067522367 /nfs/dbraw/zinc/52/23/67/1067522367.db2.gz SWXVIZVSNOABIS-ZFWWWQNUSA-N 1 3 320.462 2.114 20 0 DEADHO CCCCC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H]1C ZINC001571463752 1068313286 /nfs/dbraw/zinc/31/32/86/1068313286.db2.gz AOJJVGPZJOQDGO-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC2(CCC(=O)N(CCN(C)C)C2)CC1 ZINC001272420922 1078860258 /nfs/dbraw/zinc/86/02/58/1078860258.db2.gz MIXUWJHZMYQEHC-MRXNPFEDSA-N 1 3 309.498 2.299 20 0 DEADHO CC[NH+](CC)CC[C@H](C)NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC001521451766 1069243121 /nfs/dbraw/zinc/24/31/21/1069243121.db2.gz AIEQGUOJWRXWML-LSDHHAIUSA-N 1 3 310.486 2.056 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001272448535 1078884846 /nfs/dbraw/zinc/88/48/46/1078884846.db2.gz JWVPQCTXAFYQQG-SFHVURJKSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001272448535 1078884849 /nfs/dbraw/zinc/88/48/49/1078884849.db2.gz JWVPQCTXAFYQQG-SFHVURJKSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)N(CCF)CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001267511943 1078941527 /nfs/dbraw/zinc/94/15/27/1078941527.db2.gz ZLTCBGJYJFWZKM-HOTGVXAUSA-N 1 3 315.477 2.293 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CCCCC2)C1 ZINC001272523672 1078948222 /nfs/dbraw/zinc/94/82/22/1078948222.db2.gz JYRQUKQXLCEXPN-ZWKOTPCHSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN1CCCC[C@@H]1C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC001645728502 1078973888 /nfs/dbraw/zinc/97/38/88/1078973888.db2.gz LVCMBUVGITWWRL-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CCCN1CCCC[C@@H]1C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC001645728502 1078973895 /nfs/dbraw/zinc/97/38/95/1078973895.db2.gz LVCMBUVGITWWRL-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO O[C@H]1CCN(CCC[N@@H+]2CC[C@H](O)C23CCCC3)C12CCCC2 ZINC001645801363 1079003163 /nfs/dbraw/zinc/00/31/63/1079003163.db2.gz HBMAESBMPVJXLN-IRXDYDNUSA-N 1 3 322.493 2.135 20 0 DEADHO O[C@H]1CCN(CCC[N@H+]2CC[C@H](O)C23CCCC3)C12CCCC2 ZINC001645801363 1079003169 /nfs/dbraw/zinc/00/31/69/1079003169.db2.gz HBMAESBMPVJXLN-IRXDYDNUSA-N 1 3 322.493 2.135 20 0 DEADHO NC[C@@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1ccc(F)cc1)C2 ZINC001549116203 1073028704 /nfs/dbraw/zinc/02/87/04/1073028704.db2.gz MCGVIGDOMGUXON-SUMWQHHRSA-N 1 3 305.397 2.215 20 0 DEADHO NC[C@@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1ccc(F)cc1)C2 ZINC001549116203 1073028710 /nfs/dbraw/zinc/02/87/10/1073028710.db2.gz MCGVIGDOMGUXON-SUMWQHHRSA-N 1 3 305.397 2.215 20 0 DEADHO CC(C)CCC[NH2+]CC[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001272641428 1079031238 /nfs/dbraw/zinc/03/12/38/1079031238.db2.gz HJPOLMBQVXWZLR-QGZVFWFLSA-N 1 3 309.498 2.347 20 0 DEADHO CCn1nccc1[C@H]1OCC[C@@H]1[NH2+]C1CCN(CC2CC2)CC1 ZINC001549373853 1073143398 /nfs/dbraw/zinc/14/33/98/1073143398.db2.gz GLEYMUODVKWESP-WMZOPIPTSA-N 1 3 318.465 2.197 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CCC2)C1 ZINC001272652172 1079048925 /nfs/dbraw/zinc/04/89/25/1079048925.db2.gz JUKAUALKUHPGSG-ZWKOTPCHSA-N 1 3 321.509 2.489 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CCCC[C@H]3[NH3+])C2)cc1 ZINC001550100916 1073427234 /nfs/dbraw/zinc/42/72/34/1073427234.db2.gz TWDLIJCUBGYFGX-RCCFBDPRSA-N 1 3 315.461 2.203 20 0 DEADHO C[NH+]1CCC(CNC(=O)[C@H](N)C(C)(C)C)(c2ccccc2)CC1 ZINC001550101706 1073427496 /nfs/dbraw/zinc/42/74/96/1073427496.db2.gz LHUKFGHNVPZJJK-INIZCTEOSA-N 1 3 317.477 2.140 20 0 DEADHO CCC1([NH+]2CCC2)CCN(C(=O)[C@H](N)Cc2ccccc2)CC1 ZINC001550237550 1073531769 /nfs/dbraw/zinc/53/17/69/1073531769.db2.gz UFFHZSSNXMGTOG-QGZVFWFLSA-N 1 3 315.461 2.033 20 0 DEADHO CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001483800122 1079126540 /nfs/dbraw/zinc/12/65/40/1079126540.db2.gz WHBZPIXPEVEIQC-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO CCC[N@H+]1CC[C@H](C2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001483800122 1079126544 /nfs/dbraw/zinc/12/65/44/1079126544.db2.gz WHBZPIXPEVEIQC-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1([NH2+]CCC(F)(F)F)CC1 ZINC001483793325 1079124430 /nfs/dbraw/zinc/12/44/30/1079124430.db2.gz AZHJJILQKMZBFV-VXGBXAGGSA-N 1 3 321.387 2.050 20 0 DEADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](N[C@@H](C)c1ccc(F)cn1)[C@@H](O)C2 ZINC001550354165 1073611887 /nfs/dbraw/zinc/61/18/87/1073611887.db2.gz VCKWREKJBDBLFC-BDISVTLVSA-N 1 3 321.440 2.351 20 0 DEADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](N[C@@H](C)c1ccc(F)cn1)[C@@H](O)C2 ZINC001550354165 1073611893 /nfs/dbraw/zinc/61/18/93/1073611893.db2.gz VCKWREKJBDBLFC-BDISVTLVSA-N 1 3 321.440 2.351 20 0 DEADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3ccns3)C2)[C@@H]1C(C)C ZINC001550422765 1073647107 /nfs/dbraw/zinc/64/71/07/1073647107.db2.gz CSGVPKKNCQVBRV-VGWMRTNUSA-N 1 3 309.479 2.103 20 0 DEADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3ccns3)C2)[C@@H]1C(C)C ZINC001550422765 1073647112 /nfs/dbraw/zinc/64/71/12/1073647112.db2.gz CSGVPKKNCQVBRV-VGWMRTNUSA-N 1 3 309.479 2.103 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NCc1cncn1C(C)C)[C@@H](O)C2 ZINC001550422422 1073647131 /nfs/dbraw/zinc/64/71/31/1073647131.db2.gz WBBPAWVAQCRPCN-OWSLCNJRSA-N 1 3 320.481 2.033 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NCc1cncn1C(C)C)[C@@H](O)C2 ZINC001550422422 1073647134 /nfs/dbraw/zinc/64/71/34/1073647134.db2.gz WBBPAWVAQCRPCN-OWSLCNJRSA-N 1 3 320.481 2.033 20 0 DEADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cnc(C)s3)C2)[C@H]1C(C)C ZINC001550423989 1073648281 /nfs/dbraw/zinc/64/82/81/1073648281.db2.gz WIHXZFVAFUXEOJ-NXOAAHMSSA-N 1 3 323.506 2.411 20 0 DEADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cnc(C)s3)C2)[C@H]1C(C)C ZINC001550423989 1073648287 /nfs/dbraw/zinc/64/82/87/1073648287.db2.gz WIHXZFVAFUXEOJ-NXOAAHMSSA-N 1 3 323.506 2.411 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@@H](Nc1cc(N)ncc1Cl)C2 ZINC001550646071 1073769089 /nfs/dbraw/zinc/76/90/89/1073769089.db2.gz GTZBBQHOBQODAR-XRGAULLZSA-N 1 3 324.856 2.209 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@@H](Nc1cc(N)ncc1Cl)C2 ZINC001550646071 1073769094 /nfs/dbraw/zinc/76/90/94/1073769094.db2.gz GTZBBQHOBQODAR-XRGAULLZSA-N 1 3 324.856 2.209 20 0 DEADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3ccccn3)C2)[C@H]1C(C)C ZINC001550668306 1073786806 /nfs/dbraw/zinc/78/68/06/1073786806.db2.gz VRFAPKRTTXYWTI-FJIDUMEYSA-N 1 3 303.450 2.041 20 0 DEADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3ccccn3)C2)[C@H]1C(C)C ZINC001550668306 1073786810 /nfs/dbraw/zinc/78/68/10/1073786810.db2.gz VRFAPKRTTXYWTI-FJIDUMEYSA-N 1 3 303.450 2.041 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@@H]2CC[N@H+](CC3CCCCC3)C2)C1 ZINC001481111960 1079195665 /nfs/dbraw/zinc/19/56/65/1079195665.db2.gz MEZSTGFIZDBUGY-WMZOPIPTSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@@H]2CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001481111960 1079195668 /nfs/dbraw/zinc/19/56/68/1079195668.db2.gz MEZSTGFIZDBUGY-WMZOPIPTSA-N 1 3 321.509 2.347 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(Cn3c4ccccc4oc3=O)C[C@@H]2C1 ZINC001551383348 1074198693 /nfs/dbraw/zinc/19/86/93/1074198693.db2.gz RGZHXSZEUXIMFY-QLFBSQMISA-N 1 3 315.417 2.214 20 0 DEADHO Cc1n[nH]cc1[C@@H](C)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001551387438 1074200233 /nfs/dbraw/zinc/20/02/33/1074200233.db2.gz BEEJONYZCXRILV-BZOOQXSSSA-N 1 3 306.454 2.402 20 0 DEADHO Cc1nccn1-c1ccncc1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001646330454 1074417164 /nfs/dbraw/zinc/41/71/64/1074417164.db2.gz RDQZBBHFRYVMCC-INIZCTEOSA-N 1 3 313.405 2.387 20 0 DEADHO Cc1nccn1-c1ccncc1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001646330454 1074417170 /nfs/dbraw/zinc/41/71/70/1074417170.db2.gz RDQZBBHFRYVMCC-INIZCTEOSA-N 1 3 313.405 2.387 20 0 DEADHO O[C@@H](C[NH2+]C1CCN(C2CCOCC2)CC1)c1cccc(F)c1 ZINC001646522105 1074469459 /nfs/dbraw/zinc/46/94/59/1074469459.db2.gz IOCXRVMEGPWHSE-SFHVURJKSA-N 1 3 322.424 2.092 20 0 DEADHO O=C([C@@H]1C[C@@H]1C1CC[NH2+]CC1)N1CCN(C2CCCCC2)CC1 ZINC001552155991 1074478258 /nfs/dbraw/zinc/47/82/58/1074478258.db2.gz XXBWYVGZDLUILH-QZTJIDSGSA-N 1 3 319.493 2.099 20 0 DEADHO CCN1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC001552296009 1074525343 /nfs/dbraw/zinc/52/53/43/1074525343.db2.gz VWVPSALIBJWJED-OKZBNKHCSA-N 1 3 315.461 2.280 20 0 DEADHO CCN1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C1 ZINC001552296009 1074525348 /nfs/dbraw/zinc/52/53/48/1074525348.db2.gz VWVPSALIBJWJED-OKZBNKHCSA-N 1 3 315.461 2.280 20 0 DEADHO CCn1cc([C@@H]2OCC[C@@H]2C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cn1 ZINC001552380438 1074560733 /nfs/dbraw/zinc/56/07/33/1074560733.db2.gz MTSWIXQVPIMJHR-NRSFXHEJSA-N 1 3 320.481 2.443 20 0 DEADHO [NH3+]CC1CCC(CNC(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC001552429618 1074575641 /nfs/dbraw/zinc/57/56/41/1074575641.db2.gz JLENUYYBCVNJOC-KVULBXGLSA-N 1 3 301.434 2.102 20 0 DEADHO NC1(C(=O)N2CCC[C@H]([C@H]3CCCC[NH2+]3)C2)CC2(CCC2)C1 ZINC001552437658 1074576037 /nfs/dbraw/zinc/57/60/37/1074576037.db2.gz ALALNOYTIIHGTF-LSDHHAIUSA-N 1 3 305.466 2.029 20 0 DEADHO CC[NH+](CC)CC[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001647013501 1074767593 /nfs/dbraw/zinc/76/75/93/1074767593.db2.gz KOEZFIMRVAPENG-PBHICJAKSA-N 1 3 315.477 2.436 20 0 DEADHO CCN1CCC[C@H](NC(=O)N2CCCC[C@@H]2C2(C[NH3+])CCC2)C1 ZINC001553442356 1074874807 /nfs/dbraw/zinc/87/48/07/1074874807.db2.gz YURSZWMCVVAXSJ-JKSUJKDBSA-N 1 3 322.497 2.164 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@]1(C)CCC[N@H+](CCC2CC2)C1 ZINC001484172365 1079338013 /nfs/dbraw/zinc/33/80/13/1079338013.db2.gz DWVODQWHPXSLLE-GOSISDBHSA-N 1 3 318.465 2.279 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@]1(C)CCC[N@@H+](CCC2CC2)C1 ZINC001484172365 1079338016 /nfs/dbraw/zinc/33/80/16/1079338016.db2.gz DWVODQWHPXSLLE-GOSISDBHSA-N 1 3 318.465 2.279 20 0 DEADHO Cc1cnc2ccccc2c1N1C[C@H](n2ccnn2)[C@@H]([NH+](C)C)C1 ZINC001553807512 1074981009 /nfs/dbraw/zinc/98/10/09/1074981009.db2.gz ULRUHLUGRGBEFC-IRXDYDNUSA-N 1 3 322.416 2.126 20 0 DEADHO CCCC[NH2+]CCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001567561505 1075068754 /nfs/dbraw/zinc/06/87/54/1075068754.db2.gz RLFGZAWLYDNZFA-INIZCTEOSA-N 1 3 301.450 2.047 20 0 DEADHO Cc1cc(CN(C)CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cs1 ZINC001566456810 1075249654 /nfs/dbraw/zinc/24/96/54/1075249654.db2.gz LVBDFLZXXLUUQZ-GDBMZVCRSA-N 1 3 323.506 2.335 20 0 DEADHO Cc1cc(CN(C)CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cs1 ZINC001566456810 1075249656 /nfs/dbraw/zinc/24/96/56/1075249656.db2.gz LVBDFLZXXLUUQZ-GDBMZVCRSA-N 1 3 323.506 2.335 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CCCF)C1CC1 ZINC001566722832 1075327047 /nfs/dbraw/zinc/32/70/47/1075327047.db2.gz QBKAHSULXNALKT-CVEARBPZSA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CNCCF ZINC001566942235 1075394119 /nfs/dbraw/zinc/39/41/19/1075394119.db2.gz HVXVADYHWCTVJQ-HZPDHXFCSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CNCCF ZINC001566942235 1075394124 /nfs/dbraw/zinc/39/41/24/1075394124.db2.gz HVXVADYHWCTVJQ-HZPDHXFCSA-N 1 3 313.461 2.047 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[C@@H]1CCC[N@H+]1CC[C@@H](C)F ZINC001567265583 1075481679 /nfs/dbraw/zinc/48/16/79/1075481679.db2.gz ANEQVPSRHCESQR-UKRRQHHQSA-N 1 3 324.444 2.370 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[C@@H]1CCC[N@@H+]1CC[C@@H](C)F ZINC001567265583 1075481682 /nfs/dbraw/zinc/48/16/82/1075481682.db2.gz ANEQVPSRHCESQR-UKRRQHHQSA-N 1 3 324.444 2.370 20 0 DEADHO O=C(N[C@@H]1CC[NH2+]C[C@@H]1F)c1cccc(CN2CCCCC2)c1 ZINC001580615597 1075961776 /nfs/dbraw/zinc/96/17/76/1075961776.db2.gz ICEUEDUVNYAIMN-DLBZAZTESA-N 1 3 319.424 2.102 20 0 DEADHO CC[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590467239 1076633982 /nfs/dbraw/zinc/63/39/82/1076633982.db2.gz OOZNQEKEJZZERO-MRXNPFEDSA-N 1 3 312.421 2.217 20 0 DEADHO CC[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590467239 1076633984 /nfs/dbraw/zinc/63/39/84/1076633984.db2.gz OOZNQEKEJZZERO-MRXNPFEDSA-N 1 3 312.421 2.217 20 0 DEADHO C[N@H+](CCNC(=O)c1cc2c(s1)CNCC2)C1CCCCC1 ZINC001650333488 1079535615 /nfs/dbraw/zinc/53/56/15/1079535615.db2.gz CQSKICZLICKBRY-UHFFFAOYSA-N 1 3 321.490 2.388 20 0 DEADHO C[N@@H+](CCNC(=O)c1cc2c(s1)CNCC2)C1CCCCC1 ZINC001650333488 1079535623 /nfs/dbraw/zinc/53/56/23/1079535623.db2.gz CQSKICZLICKBRY-UHFFFAOYSA-N 1 3 321.490 2.388 20 0 DEADHO CC[C@@H](C)C[C@H](N)C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC001650354506 1079554417 /nfs/dbraw/zinc/55/44/17/1079554417.db2.gz QZNUXJPXVPGTKQ-PWSUYJOCSA-N 1 3 310.467 2.312 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C[NH2+]CCC1CC1 ZINC001484376707 1079572245 /nfs/dbraw/zinc/57/22/45/1079572245.db2.gz JDGNQRWAOKHVAV-WBVHZDCISA-N 1 3 323.525 2.449 20 0 DEADHO O=C(CN1CCCC1)N1CC[C@@H](CC[NH2+]CC2CCCCC2)C1 ZINC001484549999 1079655440 /nfs/dbraw/zinc/65/54/40/1079655440.db2.gz PDKJSPZJCOMMAR-GOSISDBHSA-N 1 3 321.509 2.491 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](CC[NH2+]Cc2ccccc2)C1 ZINC001484550948 1079656261 /nfs/dbraw/zinc/65/62/61/1079656261.db2.gz YZTFSKRHJUQVIV-SFHVURJKSA-N 1 3 317.477 2.357 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC[C@H](C)F)CC1 ZINC001484575561 1079671785 /nfs/dbraw/zinc/67/17/85/1079671785.db2.gz XLTLRKNAHMKTKX-JYJNAYRXSA-N 1 3 315.477 2.339 20 0 DEADHO C[C@H]([NH2+]C/C=C\Cl)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001481343358 1079737675 /nfs/dbraw/zinc/73/76/75/1079737675.db2.gz NDCQEBFTSKLUIY-ZBKLQPJUSA-N 1 3 313.873 2.051 20 0 DEADHO CN(C)CC(C)(C)C[NH2+]Cc1cn(C)nc1-c1ccncc1 ZINC000067182494 1079877042 /nfs/dbraw/zinc/87/70/42/1079877042.db2.gz SDSVSWUGLBNLRI-UHFFFAOYSA-N 1 3 301.438 2.160 20 0 DEADHO CC(C)=CCN1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001481530317 1080005658 /nfs/dbraw/zinc/00/56/58/1080005658.db2.gz IFKGUWXZEOEXCZ-QGZVFWFLSA-N 1 3 307.482 2.409 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]Cc1ccccc1 ZINC001485157068 1080028640 /nfs/dbraw/zinc/02/86/40/1080028640.db2.gz QWVJCIAAEAQVJP-GJZGRUSLSA-N 1 3 303.450 2.154 20 0 DEADHO CC[N@H+](C)CCC(=O)N(C)C[C@H]1CCN1CC1=CCCCC1 ZINC001656103279 1080044790 /nfs/dbraw/zinc/04/47/90/1080044790.db2.gz ZONBCEDGYKCLPE-QGZVFWFLSA-N 1 3 307.482 2.361 20 0 DEADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H]1CCN1CC1=CCCCC1 ZINC001656103279 1080044798 /nfs/dbraw/zinc/04/47/98/1080044798.db2.gz ZONBCEDGYKCLPE-QGZVFWFLSA-N 1 3 307.482 2.361 20 0 DEADHO CC/C=C\CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)C[C@@H]2C1 ZINC001656843546 1080128693 /nfs/dbraw/zinc/12/86/93/1080128693.db2.gz XIRWEJWUBNQWGD-DFOOCIKTSA-N 1 3 321.509 2.465 20 0 DEADHO CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)C[C@@H]2C1 ZINC001656843546 1080128695 /nfs/dbraw/zinc/12/86/95/1080128695.db2.gz XIRWEJWUBNQWGD-DFOOCIKTSA-N 1 3 321.509 2.465 20 0 DEADHO C[C@@H](CCNC[C@@H](CC(F)F)NC(=O)OC(C)(C)C)[NH+](C)C ZINC001657744550 1080185364 /nfs/dbraw/zinc/18/53/64/1080185364.db2.gz POEPXPOCLLFTIU-NWDGAFQWSA-N 1 3 323.428 2.465 20 0 DEADHO C[C@@H](CC[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)N(C)C ZINC001657744550 1080185366 /nfs/dbraw/zinc/18/53/66/1080185366.db2.gz POEPXPOCLLFTIU-NWDGAFQWSA-N 1 3 323.428 2.465 20 0 DEADHO CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CC1CC2(CCC2)C1 ZINC001481682248 1080291473 /nfs/dbraw/zinc/29/14/73/1080291473.db2.gz VTLBCXCQEJRJOU-IRXDYDNUSA-N 1 3 319.493 2.194 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CC1CC2(CCC2)C1 ZINC001481682248 1080291480 /nfs/dbraw/zinc/29/14/80/1080291480.db2.gz VTLBCXCQEJRJOU-IRXDYDNUSA-N 1 3 319.493 2.194 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CCCF ZINC001660475954 1080336178 /nfs/dbraw/zinc/33/61/78/1080336178.db2.gz RGNDPVPKXXLEEK-GJZGRUSLSA-N 1 3 301.450 2.047 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCCCN(CC)C/C=C/Cl)CC[N@@H+]1C ZINC001660528717 1080351779 /nfs/dbraw/zinc/35/17/79/1080351779.db2.gz DHSQPKYSZCESIV-OVPGCVMQSA-N 1 3 315.889 2.297 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCCCN(CC)C/C=C/Cl)CC[N@H+]1C ZINC001660528717 1080351783 /nfs/dbraw/zinc/35/17/83/1080351783.db2.gz DHSQPKYSZCESIV-OVPGCVMQSA-N 1 3 315.889 2.297 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)CCNC/C(Cl)=C/Cl)[NH+](C)C ZINC001268375724 1080393798 /nfs/dbraw/zinc/39/37/98/1080393798.db2.gz WRFKTQCTSOZFGL-GROCXKSISA-N 1 3 324.296 2.376 20 0 DEADHO CCN(CC[NH2+]CC(C)C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001268478990 1080590703 /nfs/dbraw/zinc/59/07/03/1080590703.db2.gz ABHZNIFYNKVYCI-KRWDZBQOSA-N 1 3 315.477 2.293 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC2(C[NH2+]C/C=C/Cl)CCCC2)C1 ZINC001481903811 1080592264 /nfs/dbraw/zinc/59/22/64/1080592264.db2.gz JUIRFFZNNQXKBQ-YOIVXCQUSA-N 1 3 313.873 2.099 20 0 DEADHO CCCCC[NH2+][C@@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001662334209 1080599015 /nfs/dbraw/zinc/59/90/15/1080599015.db2.gz DCYAYUZBYZDXHH-YOEHRIQHSA-N 1 3 315.477 2.483 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@](C)(C[NH2+]CC1CC1)C1CC1 ZINC001481932190 1080620880 /nfs/dbraw/zinc/62/08/80/1080620880.db2.gz VFZTXYZLKOSDDB-FUHWJXTLSA-N 1 3 307.482 2.144 20 0 DEADHO CC[C@@H](C(=O)N[C@@](C)(C[NH2+]Cc1ccccc1)C1CC1)N(C)C ZINC001481942170 1080632501 /nfs/dbraw/zinc/63/25/01/1080632501.db2.gz HVGHTJQYFJLFME-HKUYNNGSSA-N 1 3 317.477 2.401 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]C/C=C\Cl)CC1)N(C)C ZINC001482027164 1080702260 /nfs/dbraw/zinc/70/22/60/1080702260.db2.gz ZMMWDVZNFDVHIS-MVCQIPABSA-N 1 3 301.862 2.096 20 0 DEADHO O=C(NC/C=C\CNCc1ccsc1)C12CCC[NH+]1CCC2 ZINC001268564031 1080762853 /nfs/dbraw/zinc/76/28/53/1080762853.db2.gz RBWVSAITJGBDRT-UPHRSURJSA-N 1 3 319.474 2.139 20 0 DEADHO C[C@@H]([NH2+]C/C=C/CNC(=O)[C@H]1CCCN1C)c1cccc(F)c1 ZINC001268575970 1080791398 /nfs/dbraw/zinc/79/13/98/1080791398.db2.gz RVTFFKXJTMBXJO-LMIZRQEKSA-N 1 3 319.424 2.243 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC2=CCCCC2)C1)N(C)C ZINC001663633182 1080794537 /nfs/dbraw/zinc/79/45/37/1080794537.db2.gz BLWUXSNGSDDZBO-IRXDYDNUSA-N 1 3 307.482 2.265 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CC2=CCCCC2)C1)N(C)C ZINC001663633182 1080794546 /nfs/dbraw/zinc/79/45/46/1080794546.db2.gz BLWUXSNGSDDZBO-IRXDYDNUSA-N 1 3 307.482 2.265 20 0 DEADHO Cc1cccc(C[NH2+]C[C@@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001482108378 1080810029 /nfs/dbraw/zinc/81/00/29/1080810029.db2.gz RSDAWXUZOVUVQR-MRXNPFEDSA-N 1 3 317.477 2.321 20 0 DEADHO Cc1cccc(C[NH2+]C[C@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001482108377 1080810331 /nfs/dbraw/zinc/81/03/31/1080810331.db2.gz RSDAWXUZOVUVQR-INIZCTEOSA-N 1 3 317.477 2.321 20 0 DEADHO CC[C@@H](F)CNCCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001663981401 1080846055 /nfs/dbraw/zinc/84/60/55/1080846055.db2.gz FWFOFFHJGCWIJX-GDBMZVCRSA-N 1 3 313.461 2.190 20 0 DEADHO CC[C@@H](F)CNCCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001663981401 1080846059 /nfs/dbraw/zinc/84/60/59/1080846059.db2.gz FWFOFFHJGCWIJX-GDBMZVCRSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)[C@@H](C(=O)NC/C=C\C[NH2+]Cc1ccccc1)N(C)C ZINC001268616380 1080891720 /nfs/dbraw/zinc/89/17/20/1080891720.db2.gz MIASCZCUHPFBAO-JJEJIETFSA-N 1 3 303.450 2.035 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccccc1C ZINC001664395343 1080904125 /nfs/dbraw/zinc/90/41/25/1080904125.db2.gz PMEXIZYTEDANTR-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C ZINC001268783745 1080990179 /nfs/dbraw/zinc/99/01/79/1080990179.db2.gz MLWWNSJEALOCFQ-QGZVFWFLSA-N 1 3 321.440 2.166 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H](CC[NH2+]C/C=C/Cl)C1)N(C)C ZINC001666120135 1081125341 /nfs/dbraw/zinc/12/53/41/1081125341.db2.gz OAUZCZYRUNNLGL-OVPGCVMQSA-N 1 3 315.889 2.297 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001667175451 1081219890 /nfs/dbraw/zinc/21/98/90/1081219890.db2.gz HTTOJWPFKNIRTG-NVXWUHKLSA-N 1 3 307.482 2.264 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC=C(C)C ZINC001111307180 1081290795 /nfs/dbraw/zinc/29/07/95/1081290795.db2.gz AOELKKYOULOGKD-ZACQAIPSSA-N 1 3 307.482 2.406 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC=C(C)C ZINC001111307180 1081290800 /nfs/dbraw/zinc/29/08/00/1081290800.db2.gz AOELKKYOULOGKD-ZACQAIPSSA-N 1 3 307.482 2.406 20 0 DEADHO C[C@H]1CC[N@H+](CC(=O)N2CCN(CC3CCCCCC3)CC2)C1 ZINC000950502170 1081355257 /nfs/dbraw/zinc/35/52/57/1081355257.db2.gz MODSNMNCHSEPML-KRWDZBQOSA-N 1 3 321.509 2.443 20 0 DEADHO C[C@H]1CC[N@@H+](CC(=O)N2CCN(CC3CCCCCC3)CC2)C1 ZINC000950502170 1081355259 /nfs/dbraw/zinc/35/52/59/1081355259.db2.gz MODSNMNCHSEPML-KRWDZBQOSA-N 1 3 321.509 2.443 20 0 DEADHO CCN(CC[NH2+]Cc1cc(C)ccc1C)C(=O)CN1CCCC1 ZINC001668645842 1081375872 /nfs/dbraw/zinc/37/58/72/1081375872.db2.gz RCNDODFDYJTWPW-UHFFFAOYSA-N 1 3 317.477 2.337 20 0 DEADHO CC[C@H](C)C[NH2+]CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001269839501 1081378900 /nfs/dbraw/zinc/37/89/00/1081378900.db2.gz ZKGAGVRQXNNEPQ-DOTOQJQBSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](F)CC[NH2+]CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001269943660 1081407041 /nfs/dbraw/zinc/40/70/41/1081407041.db2.gz SCMODSNWCFVHAX-HNNXBMFYSA-N 1 3 313.461 2.049 20 0 DEADHO O=C(NC/C=C/CNC/C=C/Cl)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001669085762 1081426590 /nfs/dbraw/zinc/42/65/90/1081426590.db2.gz DRQJRFIVBUPEGL-JLFAVTOVSA-N 1 3 311.857 2.018 20 0 DEADHO O=C(NC/C=C/CNC/C=C/Cl)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001669085762 1081426593 /nfs/dbraw/zinc/42/65/93/1081426593.db2.gz DRQJRFIVBUPEGL-JLFAVTOVSA-N 1 3 311.857 2.018 20 0 DEADHO CC/C=C/CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001674441362 1081871703 /nfs/dbraw/zinc/87/17/03/1081871703.db2.gz YINKZQZHBMVULC-CSLAMCDYSA-N 1 3 307.482 2.360 20 0 DEADHO CC/C=C/CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001674441362 1081871710 /nfs/dbraw/zinc/87/17/10/1081871710.db2.gz YINKZQZHBMVULC-CSLAMCDYSA-N 1 3 307.482 2.360 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCCC[C@@H]2CC[NH2+]CCC2CC2)C1 ZINC001482456488 1081906494 /nfs/dbraw/zinc/90/64/94/1081906494.db2.gz OCZNYBADIWINJW-FUHWJXTLSA-N 1 3 321.509 2.489 20 0 DEADHO CC1CCC(C[N@H+](C)CCNC(=O)CN(C)C2CCC2)CC1 ZINC001480874109 1082038233 /nfs/dbraw/zinc/03/82/33/1082038233.db2.gz SGLGISRATHCHFQ-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CC1CCC(C[N@@H+](C)CCNC(=O)CN(C)C2CCC2)CC1 ZINC001480874109 1082038240 /nfs/dbraw/zinc/03/82/40/1082038240.db2.gz SGLGISRATHCHFQ-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@H]2C1 ZINC001271861565 1082175808 /nfs/dbraw/zinc/17/58/08/1082175808.db2.gz WPGXTJSDKRCTII-VBHIHJPTSA-N 1 3 307.482 2.073 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@H]2C1 ZINC001271861565 1082175814 /nfs/dbraw/zinc/17/58/14/1082175814.db2.gz WPGXTJSDKRCTII-VBHIHJPTSA-N 1 3 307.482 2.073 20 0 DEADHO CCCCCC[N@H+]1C[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C1 ZINC001271880583 1082179144 /nfs/dbraw/zinc/17/91/44/1082179144.db2.gz RLYPJGYWMHYKON-KURKYZTESA-N 1 3 321.509 2.299 20 0 DEADHO CCCCCC[N@@H+]1C[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C1 ZINC001271880583 1082179149 /nfs/dbraw/zinc/17/91/49/1082179149.db2.gz RLYPJGYWMHYKON-KURKYZTESA-N 1 3 321.509 2.299 20 0 DEADHO CC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001266639432 1082240164 /nfs/dbraw/zinc/24/01/64/1082240164.db2.gz ACTFDLQLBKSRPY-ANRHIQFOSA-N 1 3 307.482 2.452 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](N)C2CCCCCC2)C1 ZINC001648976696 1082332032 /nfs/dbraw/zinc/33/20/32/1082332032.db2.gz ZEJBPESNMAJKCA-DOTOQJQBSA-N 1 3 309.498 2.474 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](N)C2CCCCCC2)C1 ZINC001648976696 1082332040 /nfs/dbraw/zinc/33/20/40/1082332040.db2.gz ZEJBPESNMAJKCA-DOTOQJQBSA-N 1 3 309.498 2.474 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CCNC/C=C\Cl ZINC001266854147 1082398660 /nfs/dbraw/zinc/39/86/60/1082398660.db2.gz BUNJRWRKEGXMLH-QPBFKRLHSA-N 1 3 301.862 2.050 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)CCNC/C=C\Cl ZINC001266854147 1082398665 /nfs/dbraw/zinc/39/86/65/1082398665.db2.gz BUNJRWRKEGXMLH-QPBFKRLHSA-N 1 3 301.862 2.050 20 0 DEADHO CCCC[NH2+][C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001266972184 1082484382 /nfs/dbraw/zinc/48/43/82/1082484382.db2.gz WIVWKVZUCMWSDA-CZUORRHYSA-N 1 3 301.450 2.093 20 0 DEADHO CN(C)C1(C(=O)NC/C=C\C[NH2+]Cc2ccc(F)cc2)CCC1 ZINC001483017192 1082626086 /nfs/dbraw/zinc/62/60/86/1082626086.db2.gz JAZGANUZZDUDRC-ARJAWSKDSA-N 1 3 319.424 2.072 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)NCc1ccccc1F ZINC001409433859 1082887251 /nfs/dbraw/zinc/88/72/51/1082887251.db2.gz XDRSLVXNEBKXKD-KGLIPLIRSA-N 1 3 309.429 2.150 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)NCc1ccccc1F ZINC001409433859 1082887255 /nfs/dbraw/zinc/88/72/55/1082887255.db2.gz XDRSLVXNEBKXKD-KGLIPLIRSA-N 1 3 309.429 2.150 20 0 DEADHO C[C@@H](C[NH2+][C@H]1CCc2ccccc21)NC(=O)C1(N(C)C)CCC1 ZINC001483234305 1082900955 /nfs/dbraw/zinc/90/09/55/1082900955.db2.gz OWXSFJOWYUYBMT-YOEHRIQHSA-N 1 3 315.461 2.253 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001409469730 1082906964 /nfs/dbraw/zinc/90/69/64/1082906964.db2.gz MEWKTIPGQBLWGR-CABCVRRESA-N 1 3 309.498 2.390 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[N@H+](C)CCc1ccccc1 ZINC001409616601 1082987926 /nfs/dbraw/zinc/98/79/26/1082987926.db2.gz KUVDEIQZRGBBMQ-SJORKVTESA-N 1 3 317.477 2.007 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[N@@H+](C)CCc1ccccc1 ZINC001409616601 1082987928 /nfs/dbraw/zinc/98/79/28/1082987928.db2.gz KUVDEIQZRGBBMQ-SJORKVTESA-N 1 3 317.477 2.007 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001483285497 1083073930 /nfs/dbraw/zinc/07/39/30/1083073930.db2.gz BZOLZXSTIOBLFN-KBPBESRZSA-N 1 3 309.429 2.323 20 0 DEADHO COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[C@H]3CN(C)C[C@H]31)CC2 ZINC001413178078 1083413655 /nfs/dbraw/zinc/41/36/55/1083413655.db2.gz DJDXLLGHPAVHDB-RGIVZKHGSA-N 1 3 300.446 2.482 20 0 DEADHO C[C@@H](C(=O)N1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)[C@H]1C)[NH+](C)C ZINC001413220715 1083448304 /nfs/dbraw/zinc/44/83/04/1083448304.db2.gz DAFVACGXLSLXPA-TWMKSMIVSA-N 1 3 317.477 2.446 20 0 DEADHO CN(C)CC[N@@H+]1CCC2(CN(CCCc3cccc(F)c3)C2)C1 ZINC001276747253 1083585262 /nfs/dbraw/zinc/58/52/62/1083585262.db2.gz XGGAKERDFISSMX-UHFFFAOYSA-N 1 3 319.468 2.328 20 0 DEADHO CN(C)CC[N@H+]1CCC2(CN(CCCc3cccc(F)c3)C2)C1 ZINC001276747253 1083585269 /nfs/dbraw/zinc/58/52/69/1083585269.db2.gz XGGAKERDFISSMX-UHFFFAOYSA-N 1 3 319.468 2.328 20 0 DEADHO Cc1cc(C)c(CN2CCC[C@@]3(CC[N@@H+](CCN(C)C)C3)C2)[nH]1 ZINC001276796896 1083614178 /nfs/dbraw/zinc/61/41/78/1083614178.db2.gz WTJPYPSGQUWFAS-IBGZPJMESA-N 1 3 318.509 2.481 20 0 DEADHO Cc1cc(C)c(CN2CCC[C@@]3(CC[N@H+](CCN(C)C)C3)C2)[nH]1 ZINC001276796896 1083614185 /nfs/dbraw/zinc/61/41/85/1083614185.db2.gz WTJPYPSGQUWFAS-IBGZPJMESA-N 1 3 318.509 2.481 20 0 DEADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cccc(CC[NH+](C)C)c1 ZINC001413523184 1083654002 /nfs/dbraw/zinc/65/40/02/1083654002.db2.gz ZKLPIAABOAZRIE-MSOLQXFVSA-N 1 3 315.461 2.099 20 0 DEADHO CC(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001277092341 1083771360 /nfs/dbraw/zinc/77/13/60/1083771360.db2.gz CAYHIGHDEUNESV-QAETUUGQSA-N 1 3 309.498 2.390 20 0 DEADHO [NH3+]C[C@@]1(O)CCCN(CCc2ccc(F)cc2Cl)CC1 ZINC001205210478 1083796621 /nfs/dbraw/zinc/79/66/21/1083796621.db2.gz OGVZHFRGAAJWME-OAHLLOKOSA-N 1 3 300.805 2.197 20 0 DEADHO CCCCCC[NH+]1CC([C@@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001276387994 1083922646 /nfs/dbraw/zinc/92/26/46/1083922646.db2.gz AZQINZFSKXZBLS-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC[C@H](C)F ZINC001229232106 1083928697 /nfs/dbraw/zinc/92/86/97/1083928697.db2.gz XTSMYAMUBTYGLH-RRFJBIMHSA-N 1 3 301.450 2.093 20 0 DEADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)C1)C1CCC1 ZINC001491025733 1084015880 /nfs/dbraw/zinc/01/58/80/1084015880.db2.gz NZHAPGBHMSLVJV-IYBDPMFKSA-N 1 3 319.424 2.047 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001491054863 1084037521 /nfs/dbraw/zinc/03/75/21/1084037521.db2.gz GHWQSWSKUFJMRP-OIISXLGYSA-N 1 3 307.482 2.145 20 0 DEADHO CCCN(C)CC(=O)N1CCC([NH2+]CCc2cccs2)CC1 ZINC001203459505 1084067980 /nfs/dbraw/zinc/06/79/80/1084067980.db2.gz GSCKRJGKHSRJNW-UHFFFAOYSA-N 1 3 323.506 2.213 20 0 DEADHO Cn1cncc1N[C@@]12CC[C@@]([NH2+]Cc3cn[nH]c3)(C1)CCC2 ZINC001277765406 1084136114 /nfs/dbraw/zinc/13/61/14/1084136114.db2.gz HJKKBAKENFIVHU-CVEARBPZSA-N 1 3 300.410 2.190 20 0 DEADHO CCSCC[N@H+]1C[C@@H]2CCN(Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001277914883 1084263151 /nfs/dbraw/zinc/26/31/51/1084263151.db2.gz ZSBDOVMUNOQVDZ-IYBDPMFKSA-N 1 3 308.495 2.307 20 0 DEADHO CCSCC[N@@H+]1C[C@@H]2CCN(Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001277914883 1084263162 /nfs/dbraw/zinc/26/31/62/1084263162.db2.gz ZSBDOVMUNOQVDZ-IYBDPMFKSA-N 1 3 308.495 2.307 20 0 DEADHO C[C@@H](Cc1ccc2c(c1)OCO2)CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235194538 1084340679 /nfs/dbraw/zinc/34/06/79/1084340679.db2.gz YNJKIJFHCLMQEG-NUEKZKHPSA-N 1 3 302.418 2.135 20 0 DEADHO C[C@H](CC[NH2+]CCc1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001272832339 1084340914 /nfs/dbraw/zinc/34/09/14/1084340914.db2.gz ZYRCGBFMAUEMPI-MRXNPFEDSA-N 1 3 317.477 2.198 20 0 DEADHO C[C@H]1CNCC(F)(F)[C@@H]1CN1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001235218842 1084349316 /nfs/dbraw/zinc/34/93/16/1084349316.db2.gz PWTDBNRMKBCYTE-KKBVYLPWSA-N 1 3 321.415 2.048 20 0 DEADHO Fc1ccccc1CN1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC001235691507 1084501774 /nfs/dbraw/zinc/50/17/74/1084501774.db2.gz JRCMGGWREOGFQL-MRXNPFEDSA-N 1 3 305.441 2.333 20 0 DEADHO CC1(C)[NH2+][C@@H](CCN2CCN[C@H](c3ccc(Cl)cc3)C2)CO1 ZINC001235787207 1084529244 /nfs/dbraw/zinc/52/92/44/1084529244.db2.gz AGKBGYCSXISHSJ-HOTGVXAUSA-N 1 3 323.868 2.401 20 0 DEADHO CC1(C)[NH2+]C[C@@H](CN2CCN[C@H](c3ccc(Cl)cc3)C2)O1 ZINC001235787765 1084531364 /nfs/dbraw/zinc/53/13/64/1084531364.db2.gz HAKSJDQLSXAYEU-GJZGRUSLSA-N 1 3 309.841 2.011 20 0 DEADHO CCOc1cc(C)ccc1CN1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001236079039 1084607063 /nfs/dbraw/zinc/60/70/63/1084607063.db2.gz OBPKPXZGUHOKNH-KRWDZBQOSA-N 1 3 303.450 2.001 20 0 DEADHO CC(C)(C)Oc1ccc(CN2CCC[C@@H](N3CC([NH3+])C3)C2)cc1 ZINC001236076450 1084607073 /nfs/dbraw/zinc/60/70/73/1084607073.db2.gz ABINRRVXRORVNJ-QGZVFWFLSA-N 1 3 317.477 2.471 20 0 DEADHO Cc1ccc(C(F)(F)F)cc1CN(C)CCN1CC[NH2+]CC1 ZINC001236082352 1084607953 /nfs/dbraw/zinc/60/79/53/1084607953.db2.gz DWIWVIWDZWDPRB-UHFFFAOYSA-N 1 3 315.383 2.351 20 0 DEADHO COc1ccc2sc(CN(C)CCN3CC[NH2+]CC3)cc2c1 ZINC001236081006 1084608559 /nfs/dbraw/zinc/60/85/59/1084608559.db2.gz KMXLATPPXNEWGY-UHFFFAOYSA-N 1 3 319.474 2.247 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC2CC(C)(C)C2)C[C@@H]1C ZINC001486131587 1085080562 /nfs/dbraw/zinc/08/05/62/1085080562.db2.gz WJKOBQWXTWAISS-GOEBONIOSA-N 1 3 309.498 2.343 20 0 DEADHO CCC[NH2+]C1CCC(N(C)C(=O)CN2CCC(C)CC2)CC1 ZINC000964035197 1085155325 /nfs/dbraw/zinc/15/53/25/1085155325.db2.gz SGSXWCFWIUUVLU-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C)C[N@H+](C)C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001494136486 1085172112 /nfs/dbraw/zinc/17/21/12/1085172112.db2.gz DRQBZZPMIZGLOE-HZPDHXFCSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C)C[N@@H+](C)C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001494136486 1085172119 /nfs/dbraw/zinc/17/21/19/1085172119.db2.gz DRQBZZPMIZGLOE-HZPDHXFCSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)=CC[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC001486234987 1085173653 /nfs/dbraw/zinc/17/36/53/1085173653.db2.gz PNFABYUWIJZZGC-HNNXBMFYSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000961342776 1085696994 /nfs/dbraw/zinc/69/69/94/1085696994.db2.gz RICFKHJZBCVSCZ-QZTJIDSGSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000961342776 1085697002 /nfs/dbraw/zinc/69/70/02/1085697002.db2.gz RICFKHJZBCVSCZ-QZTJIDSGSA-N 1 3 321.509 2.440 20 0 DEADHO CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCCCCC1 ZINC000961937817 1085914737 /nfs/dbraw/zinc/91/47/37/1085914737.db2.gz ATEBRZMUNIBELH-NCOADZHNSA-N 1 3 307.482 2.097 20 0 DEADHO CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCCCCC1 ZINC000961937817 1085914750 /nfs/dbraw/zinc/91/47/50/1085914750.db2.gz ATEBRZMUNIBELH-NCOADZHNSA-N 1 3 307.482 2.097 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC000962268037 1086044928 /nfs/dbraw/zinc/04/49/28/1086044928.db2.gz CQSPVYHEANSTSW-XWTMOSNGSA-N 1 3 319.493 2.097 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC000962268037 1086044939 /nfs/dbraw/zinc/04/49/39/1086044939.db2.gz CQSPVYHEANSTSW-XWTMOSNGSA-N 1 3 319.493 2.097 20 0 DEADHO CCc1ccc(C[NH2+]CCNC(=O)[C@H](F)CN(CC)CC)cc1 ZINC001128533694 1086189350 /nfs/dbraw/zinc/18/93/50/1086189350.db2.gz QBJCJNOQPNOAEX-QGZVFWFLSA-N 1 3 323.456 2.135 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@H](C)c1ccccc1 ZINC001128543793 1086206872 /nfs/dbraw/zinc/20/68/72/1086206872.db2.gz FUIVRABKVPTOCZ-ZBFHGGJFSA-N 1 3 309.429 2.133 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+]C/C=C/c1ccccc1 ZINC001168747815 1086236662 /nfs/dbraw/zinc/23/66/62/1086236662.db2.gz PUVVKWDANOXKMM-XYOKQWHBSA-N 1 3 303.450 2.138 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC1CC(C[NH2+]CC2CC2)C1 ZINC000962807292 1086244580 /nfs/dbraw/zinc/24/45/80/1086244580.db2.gz BZGOFMVYAGERPH-UHFFFAOYSA-N 1 3 315.461 2.256 20 0 DEADHO CC(C)[NH2+]CC1CC(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000962809695 1086245224 /nfs/dbraw/zinc/24/52/24/1086245224.db2.gz MSHSHAANWXBLIV-UHFFFAOYSA-N 1 3 303.450 2.255 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963313641 1086403887 /nfs/dbraw/zinc/40/38/87/1086403887.db2.gz HFMSXVYWUVWANT-HZPDHXFCSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963313641 1086403891 /nfs/dbraw/zinc/40/38/91/1086403891.db2.gz HFMSXVYWUVWANT-HZPDHXFCSA-N 1 3 307.482 2.194 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([C@@H]2CCC[N@H+]2CCCF)C1 ZINC000963367695 1086428926 /nfs/dbraw/zinc/42/89/26/1086428926.db2.gz RTDAXQDZISOEGA-HOCLYGCPSA-N 1 3 322.428 2.015 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CCCF)C1 ZINC000963367695 1086428933 /nfs/dbraw/zinc/42/89/33/1086428933.db2.gz RTDAXQDZISOEGA-HOCLYGCPSA-N 1 3 322.428 2.015 20 0 DEADHO [NH3+][C@H]1CC[C@H](C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000711053645 1086693714 /nfs/dbraw/zinc/69/37/14/1086693714.db2.gz VURQECGXVFLZLZ-BZSNNMDCSA-N 1 3 315.461 2.285 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000711001257 1086693734 /nfs/dbraw/zinc/69/37/34/1086693734.db2.gz CNKJLCPFIUTHKY-VDHUWJSZSA-N 1 3 315.461 2.141 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[N@H+](CC2CC2)CC1(C)C)N(CC)CC ZINC001410029422 1087837797 /nfs/dbraw/zinc/83/77/97/1087837797.db2.gz QULSXLDHLOPIOQ-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[N@@H+](CC2CC2)CC1(C)C)N(CC)CC ZINC001410029422 1087837815 /nfs/dbraw/zinc/83/78/15/1087837815.db2.gz QULSXLDHLOPIOQ-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO C[N@@H+]1CC[C@H](CC(=O)N2CCN(CC3CCCCCC3)CC2)C1 ZINC000957328079 1088178776 /nfs/dbraw/zinc/17/87/76/1088178776.db2.gz FOOWBDAPVUFETI-GOSISDBHSA-N 1 3 321.509 2.443 20 0 DEADHO C[N@H+]1CC[C@H](CC(=O)N2CCN(CC3CCCCCC3)CC2)C1 ZINC000957328079 1088178785 /nfs/dbraw/zinc/17/87/85/1088178785.db2.gz FOOWBDAPVUFETI-GOSISDBHSA-N 1 3 321.509 2.443 20 0 DEADHO CC(C)=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001079844933 1088447012 /nfs/dbraw/zinc/44/70/12/1088447012.db2.gz HLYNBOOPSSDBDZ-KZNAEPCWSA-N 1 3 321.509 2.367 20 0 DEADHO CC(C)=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001079844933 1088447018 /nfs/dbraw/zinc/44/70/18/1088447018.db2.gz HLYNBOOPSSDBDZ-KZNAEPCWSA-N 1 3 321.509 2.367 20 0 DEADHO CC[N@H+](CC1CC1)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000957720492 1088572648 /nfs/dbraw/zinc/57/26/48/1088572648.db2.gz QJRYPNHPJYPCRK-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+](CC1CC1)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000957720492 1088572659 /nfs/dbraw/zinc/57/26/59/1088572659.db2.gz QJRYPNHPJYPCRK-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H](C(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1C)N1CCCCCC1 ZINC001080554578 1089063588 /nfs/dbraw/zinc/06/35/88/1089063588.db2.gz WTOXFXDNGFNWJM-BZUAXINKSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H](C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1C)N1CCCCCC1 ZINC001080554578 1089063605 /nfs/dbraw/zinc/06/36/05/1089063605.db2.gz WTOXFXDNGFNWJM-BZUAXINKSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H]1C[N@H+](CC2CC2)C[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001080989471 1089282178 /nfs/dbraw/zinc/28/21/78/1089282178.db2.gz KXWCCDZCXSHZJK-RDTXWAMCSA-N 1 3 315.461 2.208 20 0 DEADHO C[C@@H]1C[N@@H+](CC2CC2)C[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001080989471 1089282193 /nfs/dbraw/zinc/28/21/93/1089282193.db2.gz KXWCCDZCXSHZJK-RDTXWAMCSA-N 1 3 315.461 2.208 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001082747266 1090053480 /nfs/dbraw/zinc/05/34/80/1090053480.db2.gz ICKWPCBBJLAVFR-XYPHTWIQSA-N 1 3 321.440 2.102 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCC2)C1)N(C)C ZINC001082748347 1090053894 /nfs/dbraw/zinc/05/38/94/1090053894.db2.gz HUANUMJNRANWBA-OIISXLGYSA-N 1 3 309.498 2.343 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCC2)C1 ZINC001082943604 1090109890 /nfs/dbraw/zinc/10/98/90/1090109890.db2.gz RGSOVLWWIOXNJI-NXHRZFHOSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC001084475333 1090309855 /nfs/dbraw/zinc/30/98/55/1090309855.db2.gz JGGKAOXVLQBZCV-IXDOHACOSA-N 1 3 307.482 2.050 20 0 DEADHO CCCN1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)[C@@H]2C1 ZINC001084475333 1090309862 /nfs/dbraw/zinc/30/98/62/1090309862.db2.gz JGGKAOXVLQBZCV-IXDOHACOSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CC3CC3)[C@H]2C1 ZINC001084939039 1090530317 /nfs/dbraw/zinc/53/03/17/1090530317.db2.gz PQBVAEKNZNZWAS-KURKYZTESA-N 1 3 319.493 2.192 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC3CC3)[C@H]2C1 ZINC001084939039 1090530319 /nfs/dbraw/zinc/53/03/19/1090530319.db2.gz PQBVAEKNZNZWAS-KURKYZTESA-N 1 3 319.493 2.192 20 0 DEADHO C[N@@H+]1CCC2(C1)CCN(C[C@@H]1CCN1C(=O)OC(C)(C)C)CC2 ZINC001274923589 1091474667 /nfs/dbraw/zinc/47/46/67/1091474667.db2.gz XRRZTKNDKZZHFU-HNNXBMFYSA-N 1 3 323.481 2.414 20 0 DEADHO C[N@H+]1CCC2(C1)CCN(C[C@@H]1CCN1C(=O)OC(C)(C)C)CC2 ZINC001274923589 1091474670 /nfs/dbraw/zinc/47/46/70/1091474670.db2.gz XRRZTKNDKZZHFU-HNNXBMFYSA-N 1 3 323.481 2.414 20 0 DEADHO C[C@H](C[NH2+]CCCc1ccccc1)NC(=O)CN1CC[C@@H](C)C1 ZINC001274919345 1091478202 /nfs/dbraw/zinc/47/82/02/1091478202.db2.gz MMBCZYQQHSRHKT-IAGOWNOFSA-N 1 3 317.477 2.055 20 0 DEADHO C[N@@H+]1CCC2(C1)CCN(CCOC(=O)c1ccccc1)CC2 ZINC001274933521 1091481217 /nfs/dbraw/zinc/48/12/17/1091481217.db2.gz KORZJSMBDLZQJJ-UHFFFAOYSA-N 1 3 302.418 2.261 20 0 DEADHO C[N@H+]1CCC2(C1)CCN(CCOC(=O)c1ccccc1)CC2 ZINC001274933521 1091481224 /nfs/dbraw/zinc/48/12/24/1091481224.db2.gz KORZJSMBDLZQJJ-UHFFFAOYSA-N 1 3 302.418 2.261 20 0 DEADHO CCCCCC[N@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001275124116 1091568232 /nfs/dbraw/zinc/56/82/32/1091568232.db2.gz AIOSUZCHCOKNID-CALCHBBNSA-N 1 3 309.498 2.299 20 0 DEADHO CCCCCC[N@@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001275124116 1091568240 /nfs/dbraw/zinc/56/82/40/1091568240.db2.gz AIOSUZCHCOKNID-CALCHBBNSA-N 1 3 309.498 2.299 20 0 DEADHO CCCC[C@H](CC)COC[C@H](O)C[NH2+][C@H]1CCCCNC1 ZINC001245986287 1091688344 /nfs/dbraw/zinc/68/83/44/1091688344.db2.gz XHCQBUQKQHGUEE-YESZJQIVSA-N 1 3 300.487 2.312 20 0 DEADHO C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(CN2CCCC2)c1 ZINC001275575106 1091877915 /nfs/dbraw/zinc/87/79/15/1091877915.db2.gz JVPNDUIDXGWKBG-ROUUACIJSA-N 1 3 313.445 2.201 20 0 DEADHO C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(CN2CCCC2)c1 ZINC001275575106 1091877916 /nfs/dbraw/zinc/87/79/16/1091877916.db2.gz JVPNDUIDXGWKBG-ROUUACIJSA-N 1 3 313.445 2.201 20 0 DEADHO CCCN(C)CC(=O)N(C)C1CCC([NH2+]CCCF)CC1 ZINC001275633141 1091928738 /nfs/dbraw/zinc/92/87/38/1091928738.db2.gz VJJBGLWXJHTKRM-UHFFFAOYSA-N 1 3 301.450 2.047 20 0 DEADHO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2Cc1ccnc2ccccc12 ZINC001275891967 1092277947 /nfs/dbraw/zinc/27/79/47/1092277947.db2.gz CSPCPPZWNMGZIR-HDICACEKSA-N 1 3 324.472 2.445 20 0 DEADHO Cc1cccc([C@H](C)NCC(=O)NC2CC[NH+](C)CC2)c1C ZINC000878363921 1093678680 /nfs/dbraw/zinc/67/86/80/1093678680.db2.gz BORORKQGXBJAOO-HNNXBMFYSA-N 1 3 303.450 2.164 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCc2ccccc2F)[C@H]1C ZINC001369391439 1148924417 /nfs/dbraw/zinc/92/44/17/1148924417.db2.gz MVNLAIMZGMUJCM-PBHICJAKSA-N 1 3 321.440 2.247 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2ccccc2F)[C@H]1C ZINC001369391439 1148924437 /nfs/dbraw/zinc/92/44/37/1148924437.db2.gz MVNLAIMZGMUJCM-PBHICJAKSA-N 1 3 321.440 2.247 20 0 DEADHO C[C@@H]([NH3+])CN1CCC2(C[C@H](N(C)Cc3cccs3)CO2)CC1 ZINC001235524330 1138331085 /nfs/dbraw/zinc/33/10/85/1138331085.db2.gz BZUHKUKKZBQYHZ-CABCVRRESA-N 1 3 323.506 2.151 20 0 DEADHO CC(C)Sc1nccc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)n1 ZINC001236320412 1138351054 /nfs/dbraw/zinc/35/10/54/1138351054.db2.gz CBDHBTYXGWUXPO-OKILXGFUSA-N 1 3 306.479 2.409 20 0 DEADHO Nc1cnccc1CN(Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236561533 1138375064 /nfs/dbraw/zinc/37/50/64/1138375064.db2.gz GZJRFASLPAHXBV-QAQDUYKDSA-N 1 3 311.433 2.331 20 0 DEADHO Nc1cccc(CN(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC001236563688 1138376175 /nfs/dbraw/zinc/37/61/75/1138376175.db2.gz DPDXZYJRWLWIQG-JCNLHEQBSA-N 1 3 311.433 2.331 20 0 DEADHO COC(=O)c1cc(F)cc(CN(C)CC2CC[NH+](C)CC2)c1 ZINC001236779648 1138425822 /nfs/dbraw/zinc/42/58/22/1138425822.db2.gz UOSABUPTNKQRRD-UHFFFAOYSA-N 1 3 308.397 2.386 20 0 DEADHO C[N@@H+]1CCC2(C1)CCN(C[C@@H]1COc3ccccc3O1)CC2 ZINC001278059520 1138511623 /nfs/dbraw/zinc/51/16/23/1138511623.db2.gz HDXJPBHYZQOIIO-OAHLLOKOSA-N 1 3 302.418 2.244 20 0 DEADHO C[N@H+]1CCC2(C1)CCN(C[C@@H]1COc3ccccc3O1)CC2 ZINC001278059520 1138511626 /nfs/dbraw/zinc/51/16/26/1138511626.db2.gz HDXJPBHYZQOIIO-OAHLLOKOSA-N 1 3 302.418 2.244 20 0 DEADHO c1cc2n(c1CN1CCC3(CC1)[NH2+]Cc1ccccc13)CCNC2 ZINC001237365561 1138593888 /nfs/dbraw/zinc/59/38/88/1138593888.db2.gz ICSSTLHFDNGQRQ-UHFFFAOYSA-N 1 3 322.456 2.186 20 0 DEADHO Cc1ccc(NC(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)cc1F ZINC001239213393 1138989353 /nfs/dbraw/zinc/98/93/53/1138989353.db2.gz BIKFGWDKYJISER-AWEZNQCLSA-N 1 3 320.412 2.130 20 0 DEADHO NCCC[NH2+]CCCNC(=O)Oc1ccccc1C(F)(F)F ZINC001239325479 1139021090 /nfs/dbraw/zinc/02/10/90/1139021090.db2.gz SHRODNIRLYSNHS-UHFFFAOYSA-N 1 3 319.327 2.122 20 0 DEADHO CN1CCN(Cc2cccc(-c3ccc4c(n3)CC[NH2+]C4)c2)CC1 ZINC001240281038 1139315523 /nfs/dbraw/zinc/31/55/23/1139315523.db2.gz XIWQSSIFWRKSKF-UHFFFAOYSA-N 1 3 322.456 2.142 20 0 DEADHO CC[C@@H](F)C[NH2+]CCC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001318928193 1140469060 /nfs/dbraw/zinc/46/90/60/1140469060.db2.gz FDANPEFPVCHLJC-CVEARBPZSA-N 1 3 315.477 2.293 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CCC(F)(F)F ZINC001319193763 1140523417 /nfs/dbraw/zinc/52/34/17/1140523417.db2.gz FVVUKUMCWNLMLV-CHWSQXEVSA-N 1 3 323.403 2.155 20 0 DEADHO CC(C)c1ccc(OC[C@H](O)CNC[C@@H]2C[NH2+]C[C@@H](C)C2)cc1 ZINC001245994174 1140843643 /nfs/dbraw/zinc/84/36/43/1140843643.db2.gz QIDGMTMDZDOAAA-XYJFISCASA-N 1 3 320.477 2.385 20 0 DEADHO O[C@@]1(CNCCc2ccc(CCc3ccccc3)cc2)CC[NH2+]C1 ZINC001246015651 1140846506 /nfs/dbraw/zinc/84/65/06/1140846506.db2.gz QUBMMOMLNOQWIV-OAQYLSRUSA-N 1 3 324.468 2.328 20 0 DEADHO CC(C)c1ccc(OC[C@@H](O)C[NH2+][C@H]2CCCC[C@H]2N)cc1 ZINC001246018403 1140846971 /nfs/dbraw/zinc/84/69/71/1140846971.db2.gz NIDSMRLASDIIQY-JQHSSLGASA-N 1 3 306.450 2.409 20 0 DEADHO Cc1ccc(CC[N@@H+](C)C[C@@H](O)[C@@H](N)Cc2ccccc2)cc1 ZINC001246042461 1140852185 /nfs/dbraw/zinc/85/21/85/1140852185.db2.gz BLGWDMHSZKRMBA-VQTJNVASSA-N 1 3 312.457 2.400 20 0 DEADHO Cc1ccc(CC[N@H+](C)C[C@@H](O)[C@@H](N)Cc2ccccc2)cc1 ZINC001246042461 1140852187 /nfs/dbraw/zinc/85/21/87/1140852187.db2.gz BLGWDMHSZKRMBA-VQTJNVASSA-N 1 3 312.457 2.400 20 0 DEADHO O=C(c1ccccc1)N1CCC[C@@H]([NH2+][C@@H]2CCCCNC2)C1 ZINC001246089362 1140859637 /nfs/dbraw/zinc/85/96/37/1140859637.db2.gz DHMGBUSQHRFGLW-IAGOWNOFSA-N 1 3 301.434 2.023 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H](CN[C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001246100115 1140860765 /nfs/dbraw/zinc/86/07/65/1140860765.db2.gz NQKBCTJFNUEDRH-LZLYRXPVSA-N 1 3 315.461 2.126 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1cccc(F)c1)N(C)C ZINC001320463084 1140868861 /nfs/dbraw/zinc/86/88/61/1140868861.db2.gz DZDOCEIGOHBNAY-CZUORRHYSA-N 1 3 309.429 2.150 20 0 DEADHO Cc1cc(F)ccc1[C@H]1C[C@@H](N[C@@H]2CCNC[C@@H]2F)CC[NH2+]1 ZINC001246204866 1140872906 /nfs/dbraw/zinc/87/29/06/1140872906.db2.gz HWHIFQVVOPIENA-QMCVQRASSA-N 1 3 309.404 2.217 20 0 DEADHO COc1ccccc1C1(C[NH2+][C@H]2CCN[C@H](C)C2)CCOCC1 ZINC001246268055 1140880105 /nfs/dbraw/zinc/88/01/05/1140880105.db2.gz GYPUTENNICTSLY-CVEARBPZSA-N 1 3 318.461 2.474 20 0 DEADHO CCN(CC)C(=O)c1ccc(CC[NH2+][C@@H]2CCN[C@@H](C)C2)cc1 ZINC001246487090 1140920552 /nfs/dbraw/zinc/92/05/52/1140920552.db2.gz ZFWNSNHSWWPWMY-MAUKXSAKSA-N 1 3 317.477 2.441 20 0 DEADHO CCN(CC)C(=O)c1ccc(CCN[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC001246487090 1140920560 /nfs/dbraw/zinc/92/05/60/1140920560.db2.gz ZFWNSNHSWWPWMY-MAUKXSAKSA-N 1 3 317.477 2.441 20 0 DEADHO COC(=O)c1ccc(C[C@H](C)N2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001246611536 1141003662 /nfs/dbraw/zinc/00/36/62/1141003662.db2.gz UWPLGHIFWYNVPL-HNAYVOBHSA-N 1 3 316.445 2.480 20 0 DEADHO CCOC(=O)[C@@]12C[N@@H+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@@H]1CNCCC2 ZINC001246613882 1141004249 /nfs/dbraw/zinc/00/42/49/1141004249.db2.gz ZJSGXEGYLGQBKG-ZAHIEGGZSA-N 1 3 320.477 2.286 20 0 DEADHO CCOC(=O)[C@@]12C[N@H+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@@H]1CNCCC2 ZINC001246613882 1141004261 /nfs/dbraw/zinc/00/42/61/1141004261.db2.gz ZJSGXEGYLGQBKG-ZAHIEGGZSA-N 1 3 320.477 2.286 20 0 DEADHO COC(=O)[C@@H]1CCN([C@@H]2CC[NH2+][C@H](C)C2)[C@H]1c1ccccc1 ZINC001246679411 1141032981 /nfs/dbraw/zinc/03/29/81/1141032981.db2.gz WREXALDGGHVLQH-DZUCGIPZSA-N 1 3 302.418 2.363 20 0 DEADHO F[C@@H]1CNCC[C@H]1N(Cc1ccccc1)C1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246836342 1141080279 /nfs/dbraw/zinc/08/02/79/1141080279.db2.gz XIVMJLKRCSTFSB-YZYRWKSTSA-N 1 3 315.436 2.248 20 0 DEADHO CCOC(=O)c1ccc(C[C@H](C)[N@@H+]2C[C@@H]3CC[C@]3(N)C2)cc1 ZINC001246859907 1141091661 /nfs/dbraw/zinc/09/16/61/1141091661.db2.gz LTUGKKJGVPBEDP-OWQGQXMQSA-N 1 3 302.418 2.217 20 0 DEADHO CCOC(=O)c1ccc(C[C@H](C)[N@H+]2C[C@@H]3CC[C@]3(N)C2)cc1 ZINC001246859907 1141091671 /nfs/dbraw/zinc/09/16/71/1141091671.db2.gz LTUGKKJGVPBEDP-OWQGQXMQSA-N 1 3 302.418 2.217 20 0 DEADHO CCOC(=O)N1CCC(C)(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)CC1 ZINC001474756490 1141129031 /nfs/dbraw/zinc/12/90/31/1141129031.db2.gz HDYKUVCLFCCSLV-OWCLPIDISA-N 1 3 323.481 2.175 20 0 DEADHO FC(F)(F)[C@H]1CN(C2CCC3(CC[NH2+]CC3)CC2)CCN1 ZINC001246992957 1141222989 /nfs/dbraw/zinc/22/29/89/1141222989.db2.gz SADWEZCSQNENIQ-CYBMUJFWSA-N 1 3 305.388 2.135 20 0 DEADHO FC(F)(F)[C@H]1CNCCN1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246990993 1141225599 /nfs/dbraw/zinc/22/55/99/1141225599.db2.gz OQKPIPXFDBBPNB-ROKHWSDSSA-N 1 3 305.388 2.135 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CCC1CC1 ZINC001322368503 1141543895 /nfs/dbraw/zinc/54/38/95/1141543895.db2.gz BVDQJFSRHRNOKH-HZPDHXFCSA-N 1 3 318.465 2.325 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccnc2N(C)C)C[C@@H](C)O1 ZINC001323376578 1141847426 /nfs/dbraw/zinc/84/74/26/1141847426.db2.gz IRBJJIALMXTFAM-HZPDHXFCSA-N 1 3 320.481 2.127 20 0 DEADHO CN(C)c1cc(NC2=CC[C@H](N3CCOCC3)CC2)cc[nH+]1 ZINC001249555913 1141900836 /nfs/dbraw/zinc/90/08/36/1141900836.db2.gz CLSCJXZVRHMYJY-INIZCTEOSA-N 1 3 302.422 2.328 20 0 DEADHO C[NH+](C)CCNC(=S)Nc1ccccc1CN1CCCC1 ZINC001249837687 1142040901 /nfs/dbraw/zinc/04/09/01/1142040901.db2.gz UNRJEFPJAONHQM-UHFFFAOYSA-N 1 3 306.479 2.130 20 0 DEADHO C[N@@H+]1CCC[C@H](NC[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC001250681987 1142265340 /nfs/dbraw/zinc/26/53/40/1142265340.db2.gz NDHZRPWVUVHMRT-LSDHHAIUSA-N 1 3 312.841 2.154 20 0 DEADHO C[N@H+]1CCC[C@H](NC[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC001250681987 1142265349 /nfs/dbraw/zinc/26/53/49/1142265349.db2.gz NDHZRPWVUVHMRT-LSDHHAIUSA-N 1 3 312.841 2.154 20 0 DEADHO COc1cccc([C@H](O)CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001250740719 1142300307 /nfs/dbraw/zinc/30/03/07/1142300307.db2.gz XGWBVCZNZOTDQG-KYHPRHEASA-N 1 3 304.434 2.334 20 0 DEADHO COc1cccc([C@H](O)CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001250740719 1142300314 /nfs/dbraw/zinc/30/03/14/1142300314.db2.gz XGWBVCZNZOTDQG-KYHPRHEASA-N 1 3 304.434 2.334 20 0 DEADHO CC(C)N1CC[C@H]([NH2+]C[C@H](O)COc2cccc(F)c2)[C@H](C)C1 ZINC001250842609 1142334074 /nfs/dbraw/zinc/33/40/74/1142334074.db2.gz UOYXMDFLZKMFHQ-HFTRVMKXSA-N 1 3 324.440 2.274 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001278608087 1142338168 /nfs/dbraw/zinc/33/81/68/1142338168.db2.gz JFLWKADYAJLCHQ-STQMWFEESA-N 1 3 323.403 2.155 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]CCCCCF)C(C)(C)C1)N(C)C ZINC001278685285 1142825324 /nfs/dbraw/zinc/82/53/24/1142825324.db2.gz WDBSDRYEPHALFK-HUUCEWRRSA-N 1 3 315.477 2.293 20 0 DEADHO C[C@@](O)(C[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1)c1ccccc1 ZINC001253122394 1142846804 /nfs/dbraw/zinc/84/68/04/1142846804.db2.gz TVDRXFAQXDUPPE-GUDVDZBRSA-N 1 3 318.461 2.127 20 0 DEADHO CCN(CC)C[C@@H](O)C[NH+]1CCC(c2cccc(O)c2)CC1 ZINC001253192467 1142851719 /nfs/dbraw/zinc/85/17/19/1142851719.db2.gz RCUGSOCWUUFXPW-GOSISDBHSA-N 1 3 306.450 2.274 20 0 DEADHO CCN(CC)C[C@H](O)C[N@@H+]1CC[C@@H](c2cccc(OC)c2)C1 ZINC001253192446 1142851772 /nfs/dbraw/zinc/85/17/72/1142851772.db2.gz QONYPEHHUONNRL-SJORKVTESA-N 1 3 306.450 2.187 20 0 DEADHO CCN(CC)C[C@H](O)C[N@H+]1CC[C@@H](c2cccc(OC)c2)C1 ZINC001253192446 1142851773 /nfs/dbraw/zinc/85/17/73/1142851773.db2.gz QONYPEHHUONNRL-SJORKVTESA-N 1 3 306.450 2.187 20 0 DEADHO CC[NH+](CC)C[C@@H](O)CNCCc1c[nH]c2cc(C)ccc12 ZINC001253207004 1142853949 /nfs/dbraw/zinc/85/39/49/1142853949.db2.gz WHSFUISMLIVMLX-INIZCTEOSA-N 1 3 303.450 2.311 20 0 DEADHO CC[NH+](CC)C[C@@H](O)CNC(C)(C)Cc1ccc(OC)cc1 ZINC001253211600 1142854956 /nfs/dbraw/zinc/85/49/56/1142854956.db2.gz IRZDDSWRNWKRHM-INIZCTEOSA-N 1 3 308.466 2.309 20 0 DEADHO CC[NH+](CC)C[C@@H](O)CNCC1(Cc2cccc(OC)c2)CC1 ZINC001253212017 1142855057 /nfs/dbraw/zinc/85/50/57/1142855057.db2.gz CRMVEADQWJBBNW-KRWDZBQOSA-N 1 3 320.477 2.310 20 0 DEADHO CC[NH+](CC)C[C@@H](O)CNC1(Cc2cccc(OC)c2)CCC1 ZINC001253212533 1142855113 /nfs/dbraw/zinc/85/51/13/1142855113.db2.gz HWLOEPAMXIPPHC-KRWDZBQOSA-N 1 3 320.477 2.453 20 0 DEADHO CCN(CC)C[C@@H](O)C[NH2+][C@H]1CSc2cc(OC)ccc2C1 ZINC001253216156 1142855299 /nfs/dbraw/zinc/85/52/99/1142855299.db2.gz IWSBRGUJZODYBW-CABCVRRESA-N 1 3 324.490 2.004 20 0 DEADHO NCCC[NH2+]CCCCn1cc(-c2ccnc3ccccc32)nn1 ZINC001254162884 1143050932 /nfs/dbraw/zinc/05/09/32/1143050932.db2.gz IHUVFOXMYWKESY-UHFFFAOYSA-N 1 3 324.432 2.212 20 0 DEADHO CC(C)c1nnc2ccc(C[NH2+][C@@H]3CCCN(C)CC3)cn21 ZINC001254507682 1143153133 /nfs/dbraw/zinc/15/31/33/1143153133.db2.gz FINZRADLOMGWJG-OAHLLOKOSA-N 1 3 301.438 2.427 20 0 DEADHO COCCOc1ccc(C[NH2+][C@@H]2CCCN(C)CC2)cc1F ZINC001254509881 1143162149 /nfs/dbraw/zinc/16/21/49/1143162149.db2.gz JPVWNVCFVMCCGL-OAHLLOKOSA-N 1 3 310.413 2.425 20 0 DEADHO Cc1nccnc1O[C@H]1CCC[N@@H+]([C@H]2CCCN(C)CC2)C1 ZINC001254532078 1143224169 /nfs/dbraw/zinc/22/41/69/1143224169.db2.gz OSVGPTNEEGCBBR-HOTGVXAUSA-N 1 3 304.438 2.113 20 0 DEADHO Cc1nccnc1O[C@H]1CCC[N@H+]([C@H]2CCCN(C)CC2)C1 ZINC001254532078 1143224204 /nfs/dbraw/zinc/22/42/04/1143224204.db2.gz OSVGPTNEEGCBBR-HOTGVXAUSA-N 1 3 304.438 2.113 20 0 DEADHO Cc1ccnc(O[C@@H]2CCC[N@@H+]([C@@H]3CCCN(C)CC3)C2)n1 ZINC001254530689 1143225485 /nfs/dbraw/zinc/22/54/85/1143225485.db2.gz AUWRRQNXKUKDFK-HZPDHXFCSA-N 1 3 304.438 2.113 20 0 DEADHO Cc1ccnc(O[C@@H]2CCC[N@H+]([C@@H]3CCCN(C)CC3)C2)n1 ZINC001254530689 1143225499 /nfs/dbraw/zinc/22/54/99/1143225499.db2.gz AUWRRQNXKUKDFK-HZPDHXFCSA-N 1 3 304.438 2.113 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)CCSCCC[NH3+])N(C)C)cc1 ZINC001340055998 1143247503 /nfs/dbraw/zinc/24/75/03/1143247503.db2.gz FYOAQGPPEPABBJ-MRXNPFEDSA-N 1 3 323.506 2.186 20 0 DEADHO [NH3+]C1(Cc2cccnc2)CCN(C2C[C@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254940328 1143365262 /nfs/dbraw/zinc/36/52/62/1143365262.db2.gz UXDWJBGLXRJMSG-HOTGVXAUSA-N 1 3 313.445 2.175 20 0 DEADHO CC(C)[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(N)=O ZINC001255126823 1143436298 /nfs/dbraw/zinc/43/62/98/1143436298.db2.gz PJWCUDZYCORDAD-MHORFTMASA-N 1 3 315.461 2.282 20 0 DEADHO CN1CC[C@@H](c2nnc([C@@H]3CC[N@H+](Cc4ccccc4)C3)o2)C1 ZINC001255422868 1143612553 /nfs/dbraw/zinc/61/25/53/1143612553.db2.gz YMUODNNORBDXOJ-HZPDHXFCSA-N 1 3 312.417 2.478 20 0 DEADHO CN1CC[C@@H](c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)C1 ZINC001255422868 1143612567 /nfs/dbraw/zinc/61/25/67/1143612567.db2.gz YMUODNNORBDXOJ-HZPDHXFCSA-N 1 3 312.417 2.478 20 0 DEADHO COCCCCN1CCN(C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001255684556 1143802165 /nfs/dbraw/zinc/80/21/65/1143802165.db2.gz IFYGKMYATQNPTR-JWTNVVGKSA-N 1 3 309.498 2.046 20 0 DEADHO COCCCCN1CCN(C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255684556 1143802167 /nfs/dbraw/zinc/80/21/67/1143802167.db2.gz IFYGKMYATQNPTR-JWTNVVGKSA-N 1 3 309.498 2.046 20 0 DEADHO CCN(CC)CC[C@@H](C)[NH2+][C@H](CO)Cc1cccc(OC)c1 ZINC001255948865 1143816192 /nfs/dbraw/zinc/81/61/92/1143816192.db2.gz QSTNHCFFXVGOBJ-WBVHZDCISA-N 1 3 308.466 2.309 20 0 DEADHO [NH3+][C@H]1CC[C@H](N(c2ncccn2)C2CCN(C3CC3)CC2)CC1 ZINC001256071574 1143827273 /nfs/dbraw/zinc/82/72/73/1143827273.db2.gz DVONLVAKOLZTIU-KOMQPUFPSA-N 1 3 315.465 2.180 20 0 DEADHO OC[C@@H](Cc1ccc(F)cc1F)NC1CC[NH+](C2CC2)CC1 ZINC001256074337 1143827907 /nfs/dbraw/zinc/82/79/07/1143827907.db2.gz SVZMUHQTEDDZCV-OAHLLOKOSA-N 1 3 310.388 2.085 20 0 DEADHO COc1cccc2c1CC[C@@H]([N@@H+]1C[C@H]3CCN(C)C[C@H]3C1)C2 ZINC001256646611 1143859724 /nfs/dbraw/zinc/85/97/24/1143859724.db2.gz AFYWCISXLBTALN-IXDOHACOSA-N 1 3 300.446 2.436 20 0 DEADHO COc1cccc2c1CC[C@@H]([N@H+]1C[C@H]3CCN(C)C[C@H]3C1)C2 ZINC001256646611 1143859725 /nfs/dbraw/zinc/85/97/25/1143859725.db2.gz AFYWCISXLBTALN-IXDOHACOSA-N 1 3 300.446 2.436 20 0 DEADHO Clc1cccc(C[NH2+]C2CCC(N3CCOCC3)CC2)n1 ZINC001256680125 1143861680 /nfs/dbraw/zinc/86/16/80/1143861680.db2.gz YMZMDLWFEDMEFG-UHFFFAOYSA-N 1 3 309.841 2.468 20 0 DEADHO OC12CCC([NH2+]C3CCC(N4CCOCC4)CC3)(CC1)CC2 ZINC001256681788 1143861702 /nfs/dbraw/zinc/86/17/02/1143861702.db2.gz CJJCNVPCJLDTFY-UHFFFAOYSA-N 1 3 308.466 2.057 20 0 DEADHO O[C@@H](CC[NH2+]C1CCC(N2CCOCC2)CC1)c1ccccc1 ZINC001256679114 1143861902 /nfs/dbraw/zinc/86/19/02/1143861902.db2.gz DFEKVZIGDYHNGZ-ACBHZAAOSA-N 1 3 318.461 2.343 20 0 DEADHO N=c1sc2c(n1[C@@H]1CCC[N@@H+](C3CCCC3)C1)CCNC2 ZINC001256921155 1143875214 /nfs/dbraw/zinc/87/52/14/1143875214.db2.gz WOHZFSWHRFTCAP-CYBMUJFWSA-N 1 3 306.479 2.254 20 0 DEADHO N=c1sc2c(n1[C@@H]1CCC[N@H+](C3CCCC3)C1)CCNC2 ZINC001256921155 1143875215 /nfs/dbraw/zinc/87/52/15/1143875215.db2.gz WOHZFSWHRFTCAP-CYBMUJFWSA-N 1 3 306.479 2.254 20 0 DEADHO CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC(N)(c3cccnc3)CC2)C1 ZINC001257049547 1143883161 /nfs/dbraw/zinc/88/31/61/1143883161.db2.gz WYVAJANFQMFNDR-ZBFHGGJFSA-N 1 3 317.433 2.063 20 0 DEADHO CC(=O)N1CCCC[C@]12CCN(C1CC[NH+](C(C)C)CC1)C2 ZINC001257219076 1143894117 /nfs/dbraw/zinc/89/41/17/1143894117.db2.gz CTAWXXVBGUPWSC-GOSISDBHSA-N 1 3 307.482 2.336 20 0 DEADHO CC(C)CN1CCC([NH2+]CCNC(=O)c2ccc(F)cc2)CC1 ZINC001258003449 1143963767 /nfs/dbraw/zinc/96/37/67/1143963767.db2.gz LEURHXQEFIYFDG-UHFFFAOYSA-N 1 3 321.440 2.266 20 0 DEADHO CC(C)CN1CCC([NH+]2CCC(C(C)(C)C(N)=O)CC2)CC1 ZINC001258016794 1143966085 /nfs/dbraw/zinc/96/60/85/1143966085.db2.gz LVHWADSHNFXURY-UHFFFAOYSA-N 1 3 309.498 2.330 20 0 DEADHO C[C@@H](CN)C[N@H+](C)[C@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258577591 1144020832 /nfs/dbraw/zinc/02/08/32/1144020832.db2.gz DLBYGNLZEWYYBG-RDJZCZTQSA-N 1 3 303.450 2.094 20 0 DEADHO C[C@@H](CN)C[N@@H+](C)[C@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258577591 1144020835 /nfs/dbraw/zinc/02/08/35/1144020835.db2.gz DLBYGNLZEWYYBG-RDJZCZTQSA-N 1 3 303.450 2.094 20 0 DEADHO C[C@H](CN)C[N@H+](C)[C@@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258577590 1144021029 /nfs/dbraw/zinc/02/10/29/1144021029.db2.gz DLBYGNLZEWYYBG-NVXWUHKLSA-N 1 3 303.450 2.094 20 0 DEADHO C[C@H](CN)C[N@@H+](C)[C@@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258577590 1144021030 /nfs/dbraw/zinc/02/10/30/1144021030.db2.gz DLBYGNLZEWYYBG-NVXWUHKLSA-N 1 3 303.450 2.094 20 0 DEADHO C[C@H]1CCC[C@@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)C1 ZINC001258825827 1144045504 /nfs/dbraw/zinc/04/55/04/1144045504.db2.gz YOJPAWSRJGHHIS-PNKHAZJDSA-N 1 3 317.481 2.251 20 0 DEADHO C[C@H]1CCC[C@@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)C1 ZINC001258825827 1144045506 /nfs/dbraw/zinc/04/55/06/1144045506.db2.gz YOJPAWSRJGHHIS-PNKHAZJDSA-N 1 3 317.481 2.251 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](CC(C)C)C1CC1 ZINC001265183778 1144662282 /nfs/dbraw/zinc/66/22/82/1144662282.db2.gz FSWKYAUCPZUMQW-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](CC(C)C)C1CC1 ZINC001265183778 1144662285 /nfs/dbraw/zinc/66/22/85/1144662285.db2.gz FSWKYAUCPZUMQW-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001265609758 1144717727 /nfs/dbraw/zinc/71/77/27/1144717727.db2.gz XATDXDVQQKQOFT-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001265964012 1144771075 /nfs/dbraw/zinc/77/10/75/1144771075.db2.gz PCJDWZPJJLGTDZ-ZWKOTPCHSA-N 1 3 319.493 2.409 20 0 DEADHO CC[NH2+]CCc1ccc(CNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001266088269 1144804027 /nfs/dbraw/zinc/80/40/27/1144804027.db2.gz RGILQKBYNSKAJI-QGZVFWFLSA-N 1 3 305.466 2.041 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[C@H]2CCC[N@@H+]2CC2CCC2)C1 ZINC001266234740 1144817347 /nfs/dbraw/zinc/81/73/47/1144817347.db2.gz JXHAWYBXAHYMHP-WMZOPIPTSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[C@H]2CCC[N@H+]2CC2CCC2)C1 ZINC001266234740 1144817348 /nfs/dbraw/zinc/81/73/48/1144817348.db2.gz JXHAWYBXAHYMHP-WMZOPIPTSA-N 1 3 321.509 2.489 20 0 DEADHO CC[N@@H+]1CCN(C(=O)NC[C@@H](c2ccsc2)N(C)C)[C@H](C)C1 ZINC001364199881 1145073870 /nfs/dbraw/zinc/07/38/70/1145073870.db2.gz HUIOBLDNUPTDHT-HIFRSBDPSA-N 1 3 324.494 2.086 20 0 DEADHO CC[N@H+]1CCN(C(=O)NC[C@@H](c2ccsc2)N(C)C)[C@H](C)C1 ZINC001364199881 1145073875 /nfs/dbraw/zinc/07/38/75/1145073875.db2.gz HUIOBLDNUPTDHT-HIFRSBDPSA-N 1 3 324.494 2.086 20 0 DEADHO C[C@H](NC(=O)CN1CC[C@@H](C)C1)C1C[NH+](CC2=CCCCC2)C1 ZINC001282745172 1145160127 /nfs/dbraw/zinc/16/01/27/1145160127.db2.gz VDQGSKLVMJIGJL-CVEARBPZSA-N 1 3 319.493 2.265 20 0 DEADHO CC(C)=CCN1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001282832518 1145173336 /nfs/dbraw/zinc/17/33/36/1145173336.db2.gz KBLSMYMKDXDQJX-JKSUJKDBSA-N 1 3 309.498 2.365 20 0 DEADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+]([C@@H](C)[C@H](C)O)C2)ccn1 ZINC001364477122 1145281289 /nfs/dbraw/zinc/28/12/89/1145281289.db2.gz CXVOHBOWKLNGIY-RLFYNMQTSA-N 1 3 321.465 2.144 20 0 DEADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+]([C@@H](C)[C@H](C)O)C2)ccn1 ZINC001364477122 1145281292 /nfs/dbraw/zinc/28/12/92/1145281292.db2.gz CXVOHBOWKLNGIY-RLFYNMQTSA-N 1 3 321.465 2.144 20 0 DEADHO CCCN1CCC([NH2+]Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC001364847609 1145628734 /nfs/dbraw/zinc/62/87/34/1145628734.db2.gz UYBHJIDTZZIENO-UHFFFAOYSA-N 1 3 317.412 2.370 20 0 DEADHO CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H]1C ZINC001283878942 1145684756 /nfs/dbraw/zinc/68/47/56/1145684756.db2.gz ADCVKEVNQYJZGL-AMFYOEQGSA-N 1 3 307.482 2.406 20 0 DEADHO CCCC[NH2+][C@H]1CN(C(=O)C(C)(C)N2CCCC2)CC1(C)C ZINC001284311915 1145835000 /nfs/dbraw/zinc/83/50/00/1145835000.db2.gz YUNKFSDOKIMLRS-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1nccn1CCC[N@H+]1C[C@@]23CN(C)C[C@]2(C1)CCCC3 ZINC001365346835 1145853949 /nfs/dbraw/zinc/85/39/49/1145853949.db2.gz MAERXZAIPKAHOV-HDICACEKSA-N 1 3 302.466 2.389 20 0 DEADHO Cc1nccn1CCC[N@@H+]1C[C@@]23CN(C)C[C@]2(C1)CCCC3 ZINC001365346835 1145853950 /nfs/dbraw/zinc/85/39/50/1145853950.db2.gz MAERXZAIPKAHOV-HDICACEKSA-N 1 3 302.466 2.389 20 0 DEADHO CCN(C)C[C@@H](O)C[N@@H+]1CCC[C@H](c2cncn2C(C)(C)C)C1 ZINC001365349634 1145854781 /nfs/dbraw/zinc/85/47/81/1145854781.db2.gz BPVDCXGKZJQVTI-JKSUJKDBSA-N 1 3 322.497 2.130 20 0 DEADHO CCN(C)C[C@@H](O)C[N@H+]1CCC[C@H](c2cncn2C(C)(C)C)C1 ZINC001365349634 1145854782 /nfs/dbraw/zinc/85/47/82/1145854782.db2.gz BPVDCXGKZJQVTI-JKSUJKDBSA-N 1 3 322.497 2.130 20 0 DEADHO CC[C@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@H]1C ZINC001365417248 1145867832 /nfs/dbraw/zinc/86/78/32/1145867832.db2.gz XHWBMXRGPKSQLQ-JYJNAYRXSA-N 1 3 312.502 2.088 20 0 DEADHO CC[C@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@H]1C ZINC001365417248 1145867833 /nfs/dbraw/zinc/86/78/33/1145867833.db2.gz XHWBMXRGPKSQLQ-JYJNAYRXSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H]1CCC[C@@](CNC(=O)NC[C@@H]2CCCCN2C)([NH+](C)C)C1 ZINC001365550649 1145891133 /nfs/dbraw/zinc/89/11/33/1145891133.db2.gz IMFBLWRSMLAREH-SOLBZPMBSA-N 1 3 324.513 2.280 20 0 DEADHO CC/C=C/CC[N@H+]1CC=C(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001284957480 1145992162 /nfs/dbraw/zinc/99/21/62/1145992162.db2.gz KQHCNTBHKQUWGI-LAQIPUCWSA-N 1 3 319.493 2.433 20 0 DEADHO CC/C=C/CC[N@@H+]1CC=C(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001284957480 1145992170 /nfs/dbraw/zinc/99/21/70/1145992170.db2.gz KQHCNTBHKQUWGI-LAQIPUCWSA-N 1 3 319.493 2.433 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2csc(C)c2)C1)N(C)C ZINC001365842575 1146025759 /nfs/dbraw/zinc/02/57/59/1146025759.db2.gz FWYIHGRKNCORGI-BPUTZDHNSA-N 1 3 323.506 2.381 20 0 DEADHO C[C@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001365855754 1146030422 /nfs/dbraw/zinc/03/04/22/1146030422.db2.gz OLMQPNCUVFDPQH-KKUMJFAQSA-N 1 3 315.477 2.197 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCCF)C1 ZINC001491964798 1147023270 /nfs/dbraw/zinc/02/32/70/1147023270.db2.gz BNAZOWJFMXRHHC-CVEARBPZSA-N 1 3 313.461 2.143 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCCF)C1 ZINC001491964798 1147023276 /nfs/dbraw/zinc/02/32/76/1147023276.db2.gz BNAZOWJFMXRHHC-CVEARBPZSA-N 1 3 313.461 2.143 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NC/C=C/Cl)C1 ZINC001366098032 1147053094 /nfs/dbraw/zinc/05/30/94/1147053094.db2.gz HTZWITVIQPJPOT-SJPZSHDVSA-N 1 3 313.873 2.050 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NC/C=C/Cl)C1 ZINC001366098032 1147053101 /nfs/dbraw/zinc/05/31/01/1147053101.db2.gz HTZWITVIQPJPOT-SJPZSHDVSA-N 1 3 313.873 2.050 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1 ZINC001366231372 1147139091 /nfs/dbraw/zinc/13/90/91/1147139091.db2.gz QWPJZSCCQXJYKW-SFHVURJKSA-N 1 3 317.477 2.498 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3ccccc3)C[C@H]21)N(C)C ZINC001366235645 1147144587 /nfs/dbraw/zinc/14/45/87/1147144587.db2.gz HXCYMBRNHMNUIL-LHKMKVQPSA-N 1 3 315.461 2.134 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3ccccc3)C[C@H]21)N(C)C ZINC001366235645 1147144598 /nfs/dbraw/zinc/14/45/98/1147144598.db2.gz HXCYMBRNHMNUIL-LHKMKVQPSA-N 1 3 315.461 2.134 20 0 DEADHO CCc1ccccc1C[NH2+][C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001366342234 1147224663 /nfs/dbraw/zinc/22/46/63/1147224663.db2.gz WDNRWJPGHRMXLR-JKSUJKDBSA-N 1 3 317.477 2.185 20 0 DEADHO C[C@@H](c1ccccc1F)N(C)CCCNC(=O)CC[NH+](C)C ZINC001316846459 1147371670 /nfs/dbraw/zinc/37/16/70/1147371670.db2.gz GLUAKPBAPOGGAF-AWEZNQCLSA-N 1 3 309.429 2.277 20 0 DEADHO CCc1cccc(CN(C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001366583586 1147374195 /nfs/dbraw/zinc/37/41/95/1147374195.db2.gz HRGZQKRALWZUDI-GOSISDBHSA-N 1 3 319.493 2.383 20 0 DEADHO Cc1cc(C[NH2+]CCCN2CCC[C@H](C(N)=O)C2)ccc1Cl ZINC001308257634 1147461078 /nfs/dbraw/zinc/46/10/78/1147461078.db2.gz XGIKQCBNAYQYDJ-HNNXBMFYSA-N 1 3 323.868 2.325 20 0 DEADHO Cc1ccc(CN2CCC[C@H]2CNC(=O)CCC[NH+](C)C)cc1 ZINC001366672970 1147467742 /nfs/dbraw/zinc/46/77/42/1147467742.db2.gz ZCPILDIGYKUZGH-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CCc1ccc(CN2CCC[C@H]2CNC(=O)CC[NH+](C)C)cc1 ZINC001366678665 1147474437 /nfs/dbraw/zinc/47/44/37/1147474437.db2.gz NYBKXXUVWXSVOZ-SFHVURJKSA-N 1 3 317.477 2.281 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@H]1CCCN1C/C=C\c1ccccc1 ZINC001366682515 1147479262 /nfs/dbraw/zinc/47/92/62/1147479262.db2.gz YCPGAMJXRORHDT-OEPRFQHASA-N 1 3 315.461 2.232 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](CCC(C)C)C1CC1 ZINC001366763849 1147549148 /nfs/dbraw/zinc/54/91/48/1147549148.db2.gz YWKXYOQEHGDUAI-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](CCC(C)C)C1CC1 ZINC001366763849 1147549152 /nfs/dbraw/zinc/54/91/52/1147549152.db2.gz YWKXYOQEHGDUAI-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)=CC[N@@H+](C)C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001317044467 1147581056 /nfs/dbraw/zinc/58/10/56/1147581056.db2.gz LNZVORJNWNUKLT-QGZVFWFLSA-N 1 3 309.498 2.463 20 0 DEADHO CC(C)=CC[N@H+](C)C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001317044467 1147581059 /nfs/dbraw/zinc/58/10/59/1147581059.db2.gz LNZVORJNWNUKLT-QGZVFWFLSA-N 1 3 309.498 2.463 20 0 DEADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccccc1F ZINC001367104657 1147650503 /nfs/dbraw/zinc/65/05/03/1147650503.db2.gz UIZNVVGJZUQJIG-HNNXBMFYSA-N 1 3 321.440 2.294 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]C/C=C/Cl)CC1)N(C)C ZINC001367178340 1147660876 /nfs/dbraw/zinc/66/08/76/1147660876.db2.gz BAGVCLYCRIZOQU-LYOZVOCXSA-N 1 3 315.889 2.342 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1 ZINC001367249496 1147669414 /nfs/dbraw/zinc/66/94/14/1147669414.db2.gz SOAXEBRBHKQSRW-SJLPKXTDSA-N 1 3 317.477 2.401 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(C)c1)N(C)C ZINC001367266199 1147671487 /nfs/dbraw/zinc/67/14/87/1147671487.db2.gz ZXXFZWVPYDULBM-DOTOQJQBSA-N 1 3 305.466 2.177 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1F)N(C)C ZINC001367273405 1147672590 /nfs/dbraw/zinc/67/25/90/1147672590.db2.gz PBNBKJSMSSQFPB-CJNGLKHVSA-N 1 3 309.429 2.008 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+]CC1CC(C)(C)C1 ZINC001367287309 1147674272 /nfs/dbraw/zinc/67/42/72/1147674272.db2.gz KYFHXBKLTOBTBH-GFCCVEGCSA-N 1 3 306.454 2.039 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H](C)CNC/C(Cl)=C\Cl)[NH+](C)C ZINC001367295785 1147675103 /nfs/dbraw/zinc/67/51/03/1147675103.db2.gz YCIJNWFRIWDTSO-URFGDBDFSA-N 1 3 324.296 2.234 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]Cc2cncs2)CCCC1)N(C)C ZINC001367321320 1147677886 /nfs/dbraw/zinc/67/78/86/1147677886.db2.gz DKGMYBMFGYCLLJ-CQSZACIVSA-N 1 3 324.494 2.002 20 0 DEADHO C[C@@H](C[NH2+]CC1CCC2(CC2)CC1)N(C)C(=O)[C@H]1CCCN1C ZINC001367362545 1147684307 /nfs/dbraw/zinc/68/43/07/1147684307.db2.gz UOTLEVRFFKWZEA-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](CNCc1ccccc1F)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001367381348 1147686798 /nfs/dbraw/zinc/68/67/98/1147686798.db2.gz LKVJMSFAOLTPEU-HUUCEWRRSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@H](CNCc1ccccc1F)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001367381348 1147686800 /nfs/dbraw/zinc/68/68/00/1147686800.db2.gz LKVJMSFAOLTPEU-HUUCEWRRSA-N 1 3 321.440 2.104 20 0 DEADHO Cc1ccc(C)c(C[N@@H+](C)CCN(C)C(=O)[C@H]2CCCN2C)c1 ZINC001367508996 1147705211 /nfs/dbraw/zinc/70/52/11/1147705211.db2.gz DMLPRMFPVZLVIM-GOSISDBHSA-N 1 3 317.477 2.288 20 0 DEADHO Cc1ccc(C)c(C[N@H+](C)CCN(C)C(=O)[C@H]2CCCN2C)c1 ZINC001367508996 1147705212 /nfs/dbraw/zinc/70/52/12/1147705212.db2.gz DMLPRMFPVZLVIM-GOSISDBHSA-N 1 3 317.477 2.288 20 0 DEADHO CCc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001367692829 1147727875 /nfs/dbraw/zinc/72/78/75/1147727875.db2.gz QAEKIDJFUIQBSL-CRAIPNDOSA-N 1 3 319.493 2.430 20 0 DEADHO Cc1cc(C)cc(C[NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001367715067 1147731587 /nfs/dbraw/zinc/73/15/87/1147731587.db2.gz MEZGBRSPBAYVDR-MRXNPFEDSA-N 1 3 305.466 2.238 20 0 DEADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001367804310 1147749412 /nfs/dbraw/zinc/74/94/12/1147749412.db2.gz MMSORRNUCCMESN-FUHWJXTLSA-N 1 3 317.477 2.498 20 0 DEADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001367804310 1147749414 /nfs/dbraw/zinc/74/94/14/1147749414.db2.gz MMSORRNUCCMESN-FUHWJXTLSA-N 1 3 317.477 2.498 20 0 DEADHO CN(C/C=C/Cl)C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001317856287 1147758151 /nfs/dbraw/zinc/75/81/51/1147758151.db2.gz FQQLJUKIPFTWMZ-RZIFZGNASA-N 1 3 315.889 2.251 20 0 DEADHO CC[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1[NH2+]C/C=C/Cl ZINC001367931311 1147784733 /nfs/dbraw/zinc/78/47/33/1147784733.db2.gz ZAHVTUSMZWIYDQ-OCESRQBRSA-N 1 3 315.889 2.296 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]CC2CCC(C)CC2)CC1)N(C)C ZINC001368026612 1147834728 /nfs/dbraw/zinc/83/47/28/1147834728.db2.gz GSGYGRHRKYEKQC-GPANFISMSA-N 1 3 309.498 2.391 20 0 DEADHO CC[N@H+](C)CCC(=O)NCC1(NCc2cccc(Cl)c2)CC1 ZINC001368029844 1147835414 /nfs/dbraw/zinc/83/54/14/1147835414.db2.gz ARFDEHAQCBEOEC-UHFFFAOYSA-N 1 3 323.868 2.420 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCC1(NCc2cccc(Cl)c2)CC1 ZINC001368029844 1147835420 /nfs/dbraw/zinc/83/54/20/1147835420.db2.gz ARFDEHAQCBEOEC-UHFFFAOYSA-N 1 3 323.868 2.420 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1[C@H]1CC[N@H+](CC2CC2)C1 ZINC001368040922 1147838970 /nfs/dbraw/zinc/83/89/70/1147838970.db2.gz BWXISDYJGDPYQZ-ROUUACIJSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001368040922 1147838971 /nfs/dbraw/zinc/83/89/71/1147838971.db2.gz BWXISDYJGDPYQZ-ROUUACIJSA-N 1 3 321.509 2.440 20 0 DEADHO CCCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001325761337 1147996167 /nfs/dbraw/zinc/99/61/67/1147996167.db2.gz JGLCVLMZFOWCEV-IXDOHACOSA-N 1 3 309.498 2.153 20 0 DEADHO CCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001325761337 1147996171 /nfs/dbraw/zinc/99/61/71/1147996171.db2.gz JGLCVLMZFOWCEV-IXDOHACOSA-N 1 3 309.498 2.153 20 0 DEADHO CC[C@@H](C)N[C@H](CNC(=O)N(C)C1CC[NH2+]CC1)c1ccco1 ZINC000418170012 529375287 /nfs/dbraw/zinc/37/52/87/529375287.db2.gz RAEFVBHIKPXANG-UKRRQHHQSA-N 1 3 322.453 2.102 20 0 DEADHO CC[C@H](NCc1ccccc1OCCN(C)C)[C@@H]1CCC[NH2+]1 ZINC000422824106 529632079 /nfs/dbraw/zinc/63/20/79/529632079.db2.gz MWQPYTHXJVMHSA-IRXDYDNUSA-N 1 3 305.466 2.247 20 0 DEADHO CCc1ccc(CN(C)C(=O)CN2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443076514 529632729 /nfs/dbraw/zinc/63/27/29/529632729.db2.gz SOMJIWSDCCRGLU-KRWDZBQOSA-N 1 3 317.477 2.268 20 0 DEADHO CC[C@H](N[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])c1ccc2c(c1)OCCO2 ZINC000422939728 529659621 /nfs/dbraw/zinc/65/96/21/529659621.db2.gz IJGPSMIPBFLHFA-DRPJVOAASA-N 1 3 320.433 2.251 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000167795274 197713998 /nfs/dbraw/zinc/71/39/98/197713998.db2.gz JGNIXGIAPGQFQV-QAPCUYQASA-N 1 3 315.461 2.470 20 0 DEADHO CN(C)[C@H]1CCC[N@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420901694 282256121 /nfs/dbraw/zinc/25/61/21/282256121.db2.gz KRWSZIFEPPGKJT-IBGZPJMESA-N 1 3 317.477 2.045 20 0 DEADHO CN(C)[C@H]1CCC[N@@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420901694 282256127 /nfs/dbraw/zinc/25/61/27/282256127.db2.gz KRWSZIFEPPGKJT-IBGZPJMESA-N 1 3 317.477 2.045 20 0 DEADHO CCc1[nH]ccc1C(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000286617267 219084968 /nfs/dbraw/zinc/08/49/68/219084968.db2.gz YQAYZOSHWQNRQG-HNNXBMFYSA-N 1 3 320.481 2.065 20 0 DEADHO CCc1[nH]ccc1C(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000286617267 219084971 /nfs/dbraw/zinc/08/49/71/219084971.db2.gz YQAYZOSHWQNRQG-HNNXBMFYSA-N 1 3 320.481 2.065 20 0 DEADHO CCc1ccc([C@H](C)NC(=O)CN2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443058005 529720020 /nfs/dbraw/zinc/72/00/20/529720020.db2.gz IQUQMLNIUKJUNE-RDJZCZTQSA-N 1 3 317.477 2.487 20 0 DEADHO CN(CCCN(C)C(=O)NC1CCC([NH3+])CC1)Cc1ccco1 ZINC000418409569 529885545 /nfs/dbraw/zinc/88/55/45/529885545.db2.gz VIRYIHKQRSXVPI-UHFFFAOYSA-N 1 3 322.453 2.013 20 0 DEADHO CN(CC[C@H](O)c1ccccc1)CC[N@H+](C)C1CCN(C)CC1 ZINC000299640699 529931263 /nfs/dbraw/zinc/93/12/63/529931263.db2.gz KLGYDYVHRJNYRW-IBGZPJMESA-N 1 3 319.493 2.068 20 0 DEADHO CN(CC[C@H](O)c1ccccc1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000299640699 529931264 /nfs/dbraw/zinc/93/12/64/529931264.db2.gz KLGYDYVHRJNYRW-IBGZPJMESA-N 1 3 319.493 2.068 20 0 DEADHO C[NH2+]C[C@H](C)CNC(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000418161589 529997523 /nfs/dbraw/zinc/99/75/23/529997523.db2.gz BYZKPYZIWQMSKE-YSVLISHTSA-N 1 3 320.481 2.141 20 0 DEADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)c2cccc(-n3cnnn3)c2)C1 ZINC000151095108 539525468 /nfs/dbraw/zinc/52/54/68/539525468.db2.gz BPKRLZLELQTSLI-LSDHHAIUSA-N 1 3 314.437 2.045 20 0 DEADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)c2cccc(-n3cnnn3)c2)C1 ZINC000151095108 539525471 /nfs/dbraw/zinc/52/54/71/539525471.db2.gz BPKRLZLELQTSLI-LSDHHAIUSA-N 1 3 314.437 2.045 20 0 DEADHO CCCN1CC[C@H](C[NH2+][C@@H](C)c2cccc(-n3cnnn3)c2)C1 ZINC000151095108 539525475 /nfs/dbraw/zinc/52/54/75/539525475.db2.gz BPKRLZLELQTSLI-LSDHHAIUSA-N 1 3 314.437 2.045 20 0 DEADHO FC(F)CN1CCC(N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000153737129 539546472 /nfs/dbraw/zinc/54/64/72/539546472.db2.gz JRRJMEZJMRQQJG-AWEZNQCLSA-N 1 3 301.425 2.322 20 0 DEADHO FC(F)CN1CCC(N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000153737129 539546474 /nfs/dbraw/zinc/54/64/74/539546474.db2.gz JRRJMEZJMRQQJG-AWEZNQCLSA-N 1 3 301.425 2.322 20 0 DEADHO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000279683988 215058982 /nfs/dbraw/zinc/05/89/82/215058982.db2.gz HMQMUMKNRSNXON-VQIMIIECSA-N 1 3 319.493 2.378 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CC(C)(C)CCC2(C)C)CC1 ZINC000625722450 365881535 /nfs/dbraw/zinc/88/15/35/365881535.db2.gz DADHFQKAJYVMKO-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1C[C@H](NC[C@H](O)COc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000158219854 539576688 /nfs/dbraw/zinc/57/66/88/539576688.db2.gz YWWYVERDENBNLI-YUELXQCFSA-N 1 3 312.841 2.152 20 0 DEADHO C[C@@H]1C[C@H](NC[C@H](O)COc2ccc(Cl)cc2)CC[N@H+]1C ZINC000158219854 539576691 /nfs/dbraw/zinc/57/66/91/539576691.db2.gz YWWYVERDENBNLI-YUELXQCFSA-N 1 3 312.841 2.152 20 0 DEADHO C[C@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)C1=CCN(C)CC1 ZINC000352513661 299148601 /nfs/dbraw/zinc/14/86/01/299148601.db2.gz BJEDPZTWQBABEC-HNNXBMFYSA-N 1 3 322.497 2.058 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]C/C=C\c1ccccc1)N(C)C ZINC001480538901 1151845564 /nfs/dbraw/zinc/84/55/64/1151845564.db2.gz SYFWBLUPYNLLFD-QHXWSXNTSA-N 1 3 303.450 2.134 20 0 DEADHO CN1CCC(C[NH2+]C2CCC3(CC3)CC2)(N2CCOCC2)CC1 ZINC000414187394 282694782 /nfs/dbraw/zinc/69/47/82/282694782.db2.gz IIOGYFLMUSCRFF-UHFFFAOYSA-N 1 3 321.509 2.095 20 0 DEADHO CCC[NH+]1CCC(N[C@@H](C)c2cccc(-n3cnnn3)c2)CC1 ZINC000320096798 539895445 /nfs/dbraw/zinc/89/54/45/539895445.db2.gz ZWTRTZVNIGKRAQ-AWEZNQCLSA-N 1 3 314.437 2.187 20 0 DEADHO CC1CC[NH+](CCCNC(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000320938572 539898074 /nfs/dbraw/zinc/89/80/74/539898074.db2.gz ICFITRZZDQCQBK-SFHVURJKSA-N 1 3 315.461 2.112 20 0 DEADHO CCc1ccc([C@H](CNC(=O)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000174452071 198337157 /nfs/dbraw/zinc/33/71/57/198337157.db2.gz BVTZXIMMUVKPTG-SFHVURJKSA-N 1 3 317.477 2.310 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000359927370 535237944 /nfs/dbraw/zinc/23/79/44/535237944.db2.gz XQIPDHLDDGNQAA-HOTGVXAUSA-N 1 3 312.502 2.090 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000359927370 535237948 /nfs/dbraw/zinc/23/79/48/535237948.db2.gz XQIPDHLDDGNQAA-HOTGVXAUSA-N 1 3 312.502 2.090 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)[C@@H](CN)c2ccccc2)CC1 ZINC000236758038 201996297 /nfs/dbraw/zinc/99/62/97/201996297.db2.gz AEHWATHAEBPSQC-KRWDZBQOSA-N 1 3 303.450 2.110 20 0 DEADHO CN(C)C(=O)[C@@H](c1ccccc1)N1CCC(CC[NH+](C)C)CC1 ZINC000056523869 354535947 /nfs/dbraw/zinc/53/59/47/354535947.db2.gz KJQQECTXKYKBIQ-GOSISDBHSA-N 1 3 317.477 2.480 20 0 DEADHO O=C(NCCC[NH+]1CCCC1)c1cccc(CN2CCCC2)c1 ZINC000063666997 354652024 /nfs/dbraw/zinc/65/20/24/354652024.db2.gz WZHYMCDDQHEHCN-UHFFFAOYSA-N 1 3 315.461 2.498 20 0 DEADHO C[C@@H](CNC(=O)c1cccc(CN2CCCC2)c1)[NH+]1CCCC1 ZINC000066044966 354697780 /nfs/dbraw/zinc/69/77/80/354697780.db2.gz DZYVTYGHMAGBFU-INIZCTEOSA-N 1 3 315.461 2.497 20 0 DEADHO CCN(C)CCNC(=O)c1ccc(OCC[NH+](CC)CC)cc1 ZINC000066948898 354741587 /nfs/dbraw/zinc/74/15/87/354741587.db2.gz YHWXOIVTOSETPQ-UHFFFAOYSA-N 1 3 321.465 2.089 20 0 DEADHO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000069591831 354871381 /nfs/dbraw/zinc/87/13/81/354871381.db2.gz AQYUDMWLOXDMCR-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO CCC[N@H+]1CC[C@H](CNC(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000069591831 354871384 /nfs/dbraw/zinc/87/13/84/354871384.db2.gz AQYUDMWLOXDMCR-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)N2CCCCCC2)C1 ZINC000175306387 283060220 /nfs/dbraw/zinc/06/02/20/283060220.db2.gz KMVXOBPXQLDBBN-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)N2CCCCCC2)C1 ZINC000175306387 283060221 /nfs/dbraw/zinc/06/02/21/283060221.db2.gz KMVXOBPXQLDBBN-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2CCN(C)CC2)C1 ZINC000073554467 354967159 /nfs/dbraw/zinc/96/71/59/354967159.db2.gz XDEXRAMJEXKASK-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2CCN(C)CC2)C1 ZINC000073554467 354967162 /nfs/dbraw/zinc/96/71/62/354967162.db2.gz XDEXRAMJEXKASK-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)CSCC[NH+](CC)CC ZINC000073555775 354967398 /nfs/dbraw/zinc/96/73/98/354967398.db2.gz UPLYMPAPFZYQOC-OAHLLOKOSA-N 1 3 315.527 2.052 20 0 DEADHO CN(Cc1cnn(CC(F)(F)F)c1)CC1CC[NH+](C)CC1 ZINC000353418135 540068315 /nfs/dbraw/zinc/06/83/15/540068315.db2.gz ZSFWIHAWSXJDCB-UHFFFAOYSA-N 1 3 304.360 2.219 20 0 DEADHO CC(C)C[C@H](CNC(=O)c1cccc(CN(C)C)c1)[NH+](C)C ZINC000073620908 191333253 /nfs/dbraw/zinc/33/32/53/191333253.db2.gz NCAOIJIIGHOGRP-QGZVFWFLSA-N 1 3 305.466 2.454 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001421957857 1172184131 /nfs/dbraw/zinc/18/41/31/1172184131.db2.gz OFCLIGQFRLGINX-SFHVURJKSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001421957857 1172184143 /nfs/dbraw/zinc/18/41/43/1172184143.db2.gz OFCLIGQFRLGINX-SFHVURJKSA-N 1 3 309.498 2.299 20 0 DEADHO C[C@@H](NC1CC1)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382713808 540124186 /nfs/dbraw/zinc/12/41/86/540124186.db2.gz YBVVSNHGIVNXCQ-WBVHZDCISA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H](NC1CC1)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382713808 540124189 /nfs/dbraw/zinc/12/41/89/540124189.db2.gz YBVVSNHGIVNXCQ-WBVHZDCISA-N 1 3 315.461 2.107 20 0 DEADHO CN1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC000346337765 283106069 /nfs/dbraw/zinc/10/60/69/283106069.db2.gz ZMNHMETZDIYDAO-QFBILLFUSA-N 1 3 319.493 2.195 20 0 DEADHO CN1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC000346337765 283106070 /nfs/dbraw/zinc/10/60/70/283106070.db2.gz ZMNHMETZDIYDAO-QFBILLFUSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@@H](CCN1CCOCC1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000090047791 355553814 /nfs/dbraw/zinc/55/38/14/355553814.db2.gz TXIOXVRLBZFBJD-KRWDZBQOSA-N 1 3 323.525 2.484 20 0 DEADHO C[C@@H](CCN1CCOCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000090047791 355553818 /nfs/dbraw/zinc/55/38/18/355553818.db2.gz TXIOXVRLBZFBJD-KRWDZBQOSA-N 1 3 323.525 2.484 20 0 DEADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(F)cn2)CC1 ZINC000092746064 355649104 /nfs/dbraw/zinc/64/91/04/355649104.db2.gz BMHVGYAEDLGZQY-HUUCEWRRSA-N 1 3 308.445 2.145 20 0 DEADHO CCOc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000119663583 355787972 /nfs/dbraw/zinc/78/79/72/355787972.db2.gz QPPCGBKWIYKZOL-UHFFFAOYSA-N 1 3 322.453 2.042 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000126302013 355816690 /nfs/dbraw/zinc/81/66/90/355816690.db2.gz SKYTWZZBGITITA-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H](C(=O)N(C1CC1)C1CC[NH2+]CC1)[C@@H](N)c1ccccc1 ZINC000370787245 283135284 /nfs/dbraw/zinc/13/52/84/283135284.db2.gz MXFYPPZVXJJMNY-SUMWQHHRSA-N 1 3 301.434 2.066 20 0 DEADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(F)c(F)c1 ZINC000180934712 356066760 /nfs/dbraw/zinc/06/67/60/356066760.db2.gz BAPGCBZOPRDRFK-UHFFFAOYSA-N 1 3 311.420 2.423 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000517019236 540226897 /nfs/dbraw/zinc/22/68/97/540226897.db2.gz HXDVKKKJVKYIDW-SOLBZPMBSA-N 1 3 322.497 2.034 20 0 DEADHO CN(C)CCOc1cccc(-c2noc([C@H]3CC[N@H+](C)C3)n2)c1 ZINC000350064761 356502341 /nfs/dbraw/zinc/50/23/41/356502341.db2.gz YZFBCQLXPNBVCT-AWEZNQCLSA-N 1 3 316.405 2.096 20 0 DEADHO CN(C)CCOc1cccc(-c2noc([C@H]3CC[N@@H+](C)C3)n2)c1 ZINC000350064761 356502346 /nfs/dbraw/zinc/50/23/46/356502346.db2.gz YZFBCQLXPNBVCT-AWEZNQCLSA-N 1 3 316.405 2.096 20 0 DEADHO Cc1csc(N2CCC([N@@H+]3C[C@@H](C)[C@](C)(CN)C3)CC2)n1 ZINC000415058717 283179755 /nfs/dbraw/zinc/17/97/55/283179755.db2.gz WNBDBYURKNWOPN-MLGOLLRUSA-N 1 3 308.495 2.337 20 0 DEADHO Cc1csc(N2CCC([N@H+]3C[C@@H](C)[C@](C)(CN)C3)CC2)n1 ZINC000415058717 283179756 /nfs/dbraw/zinc/17/97/56/283179756.db2.gz WNBDBYURKNWOPN-MLGOLLRUSA-N 1 3 308.495 2.337 20 0 DEADHO Cc1csc(N2CCC(N3C[C@@H](C)[C@](C)(C[NH3+])C3)CC2)n1 ZINC000415058717 283179757 /nfs/dbraw/zinc/17/97/57/283179757.db2.gz WNBDBYURKNWOPN-MLGOLLRUSA-N 1 3 308.495 2.337 20 0 DEADHO CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]2CCCCN2)cc1 ZINC000236886686 202053786 /nfs/dbraw/zinc/05/37/86/202053786.db2.gz KANKIOINKYYCJL-QGZVFWFLSA-N 1 3 319.449 2.488 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000236884581 202051360 /nfs/dbraw/zinc/05/13/60/202051360.db2.gz ZHVQZUSDGWXGEH-IAGOWNOFSA-N 1 3 303.450 2.328 20 0 DEADHO CN(C)[C@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000177743818 198769468 /nfs/dbraw/zinc/76/94/68/198769468.db2.gz RNCWKWFLQFJVCY-NXCDMZCRSA-N 1 3 315.461 2.326 20 0 DEADHO C[NH+](C)CCCOc1cccc(NC(=O)[C@@]2(C)CCCCN2)c1 ZINC000237109360 202155071 /nfs/dbraw/zinc/15/50/71/202155071.db2.gz DIAOQQZHFJMGPA-GOSISDBHSA-N 1 3 319.449 2.488 20 0 DEADHO CN(C)CCN(C(=O)CCC1CC[NH2+]CC1)c1ccccc1 ZINC000237113260 202157359 /nfs/dbraw/zinc/15/73/59/202157359.db2.gz AYJQOWVDZPHBBW-UHFFFAOYSA-N 1 3 303.450 2.361 20 0 DEADHO CC(C)(C)C(=O)N1CCC([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000393407729 356713245 /nfs/dbraw/zinc/71/32/45/356713245.db2.gz WPLOHGAFVWISED-JKSUJKDBSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)(C)C(=O)N1CCC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000393407729 356713250 /nfs/dbraw/zinc/71/32/50/356713250.db2.gz WPLOHGAFVWISED-JKSUJKDBSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)(C)C(=O)N1CCC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000393407729 356713254 /nfs/dbraw/zinc/71/32/54/356713254.db2.gz WPLOHGAFVWISED-JKSUJKDBSA-N 1 3 307.482 2.240 20 0 DEADHO CCCN(CCC[NH+](C)C)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000344990452 283220230 /nfs/dbraw/zinc/22/02/30/283220230.db2.gz PFUIJBAHNQECOC-HNNXBMFYSA-N 1 3 310.486 2.010 20 0 DEADHO Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@@H](C)C1=CCN(C)CC1 ZINC000578742063 356865400 /nfs/dbraw/zinc/86/54/00/356865400.db2.gz WSJLCVHTIIDARG-WMZOPIPTSA-N 1 3 318.461 2.283 20 0 DEADHO Cc1nc(CN2CCC(C[NH2+][C@@H]3CNCC[C@H]3C)CC2)oc1C ZINC000578994710 356904859 /nfs/dbraw/zinc/90/48/59/356904859.db2.gz MHPBIUQXSJLFGX-CXAGYDPISA-N 1 3 320.481 2.091 20 0 DEADHO CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000579228033 356941048 /nfs/dbraw/zinc/94/10/48/356941048.db2.gz TUPYQHQZGZRYHG-GDBMZVCRSA-N 1 3 303.450 2.171 20 0 DEADHO CC[N@H+]1CC[C@H](CNC(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000579228033 356941051 /nfs/dbraw/zinc/94/10/51/356941051.db2.gz TUPYQHQZGZRYHG-GDBMZVCRSA-N 1 3 303.450 2.171 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H](C)C[C@H](C)[NH3+])N(C)C ZINC000581665848 357226577 /nfs/dbraw/zinc/22/65/77/357226577.db2.gz JYTYSTGDNIZYNU-JKQORVJESA-N 1 3 320.481 2.411 20 0 DEADHO C[C@@H]1CCC[N@H+](CCNCCC(=O)Nc2ccccc2F)C1 ZINC000585811828 357360941 /nfs/dbraw/zinc/36/09/41/357360941.db2.gz GKISLRZYRVPSLM-CQSZACIVSA-N 1 3 307.413 2.476 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCNCCC(=O)Nc2ccccc2F)C1 ZINC000585811828 357360946 /nfs/dbraw/zinc/36/09/46/357360946.db2.gz GKISLRZYRVPSLM-CQSZACIVSA-N 1 3 307.413 2.476 20 0 DEADHO CCN(Cc1cccc(F)c1)C(=O)CN1CCC([C@@H](C)[NH3+])CC1 ZINC000430950958 283257659 /nfs/dbraw/zinc/25/76/59/283257659.db2.gz SZOKYEHWAHCIFB-CQSZACIVSA-N 1 3 321.440 2.233 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N[C@H]2CCN(CCC)C2)CC1 ZINC000661953402 540324432 /nfs/dbraw/zinc/32/44/32/540324432.db2.gz OJDWTPDDZXFRPN-INIZCTEOSA-N 1 3 310.486 2.034 20 0 DEADHO CCC[NH+]1CCC(NC(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000341235248 283319436 /nfs/dbraw/zinc/31/94/36/283319436.db2.gz ICEGICQCZUEUEU-QGZVFWFLSA-N 1 3 322.497 2.131 20 0 DEADHO CCCN1CC[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000666926222 540364639 /nfs/dbraw/zinc/36/46/39/540364639.db2.gz LYQJWXWNUVSDRC-DLBZAZTESA-N 1 3 322.497 2.131 20 0 DEADHO CSCC[C@@H](N)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000237276766 202214056 /nfs/dbraw/zinc/21/40/56/202214056.db2.gz OGXFXRJOZWCBPJ-MRXNPFEDSA-N 1 3 323.506 2.223 20 0 DEADHO CSCC[C@@H](N)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000237276766 202214059 /nfs/dbraw/zinc/21/40/59/202214059.db2.gz OGXFXRJOZWCBPJ-MRXNPFEDSA-N 1 3 323.506 2.223 20 0 DEADHO COC(=O)[C@H]1C[C@H](N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000597244153 358867813 /nfs/dbraw/zinc/86/78/13/358867813.db2.gz JPGRWPPMKXGOHC-BZZMCLGOSA-N 1 3 316.445 2.438 20 0 DEADHO COC(=O)[C@H]1C[C@H](N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000597244153 358867816 /nfs/dbraw/zinc/86/78/16/358867816.db2.gz JPGRWPPMKXGOHC-BZZMCLGOSA-N 1 3 316.445 2.438 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000667451388 540457490 /nfs/dbraw/zinc/45/74/90/540457490.db2.gz LLHHNOFSWKCHRM-OAHLLOKOSA-N 1 3 304.438 2.054 20 0 DEADHO C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3cccc(CN)c3)C2)CC1 ZINC000667723838 540514518 /nfs/dbraw/zinc/51/45/18/540514518.db2.gz JTVOONAANDWHJT-MRXNPFEDSA-N 1 3 316.449 2.341 20 0 DEADHO Cc1cc(NC(=O)C(C)(C)N)ccc1OCC[NH+]1CCCC1 ZINC000237743672 202344765 /nfs/dbraw/zinc/34/47/65/202344765.db2.gz BLFWVRHECJTCFJ-UHFFFAOYSA-N 1 3 305.422 2.145 20 0 DEADHO N[C@@H](CC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000237878337 202377065 /nfs/dbraw/zinc/37/70/65/202377065.db2.gz NUALLFHNSWGAOM-WMZOPIPTSA-N 1 3 315.461 2.411 20 0 DEADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000601283678 359993337 /nfs/dbraw/zinc/99/33/37/359993337.db2.gz HPQBILSEKPZZJV-IRXDYDNUSA-N 1 3 324.513 2.279 20 0 DEADHO CC[C@@H]1CN(C(=O)NC[C@H](c2ccccc2)N(C)C)CC[C@@H]1[NH3+] ZINC000668562694 540689650 /nfs/dbraw/zinc/68/96/50/540689650.db2.gz PYOWECCKCMDTHD-HYVNUMGLSA-N 1 3 318.465 2.058 20 0 DEADHO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)C(C)(C)c1ccccc1 ZINC000415085401 299307169 /nfs/dbraw/zinc/30/71/69/299307169.db2.gz QETKOJMIOZBTBC-HOTGVXAUSA-N 1 3 317.477 2.140 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)NCC[NH2+]C1CC1)c1ccsc1 ZINC000669279564 540809662 /nfs/dbraw/zinc/80/96/62/540809662.db2.gz YDTAISWETLUKPD-HNNXBMFYSA-N 1 3 324.494 2.182 20 0 DEADHO CC[C@@H]1CN(C(=O)C(C)(C)[C@H](N)c2ccccc2)CC[C@@H]1[NH3+] ZINC000669515854 540850526 /nfs/dbraw/zinc/85/05/26/540850526.db2.gz GXNVTPAZWQXZIT-VNQPRFMTSA-N 1 3 303.450 2.298 20 0 DEADHO CCc1ccc([C@H](CNC(=O)NC[C@H](C)[NH3+])N(CC)CC)cc1 ZINC000669590898 540870720 /nfs/dbraw/zinc/87/07/20/540870720.db2.gz STUJULBIGMIGMD-YOEHRIQHSA-N 1 3 320.481 2.278 20 0 DEADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(C(=O)C3CCCC3)C2)[C@@H]2CCC[C@H]21 ZINC000671750886 541007360 /nfs/dbraw/zinc/00/73/60/541007360.db2.gz NVYCBLABHHPFFA-VSZNYVQBSA-N 1 3 319.493 2.240 20 0 DEADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(C(=O)C3CCCC3)C2)[C@@H]2CCC[C@H]21 ZINC000671750886 541007362 /nfs/dbraw/zinc/00/73/62/541007362.db2.gz NVYCBLABHHPFFA-VSZNYVQBSA-N 1 3 319.493 2.240 20 0 DEADHO C[C@@H]([NH3+])CCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000193310805 201027338 /nfs/dbraw/zinc/02/73/38/201027338.db2.gz APXBVRKYRCBVTB-INMHGKMJSA-N 1 3 303.450 2.283 20 0 DEADHO CN(C)Cc1ccccc1CNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000193925826 201147165 /nfs/dbraw/zinc/14/71/65/201147165.db2.gz YGMKXOGGLOFSGK-UHFFFAOYSA-N 1 3 315.461 2.239 20 0 DEADHO CN1C[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C[C@@H]2C1 ZINC000194541399 201246712 /nfs/dbraw/zinc/24/67/12/201246712.db2.gz YPFCPMGKFMTTBY-GASCZTMLSA-N 1 3 300.381 2.209 20 0 DEADHO CN1C[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C[C@@H]2C1 ZINC000194541399 201246717 /nfs/dbraw/zinc/24/67/17/201246717.db2.gz YPFCPMGKFMTTBY-GASCZTMLSA-N 1 3 300.381 2.209 20 0 DEADHO c1cc2n(n1)C[C@H](C[NH2+]C1CCN(C3CCCCC3)CC1)CN2 ZINC000673811420 541146562 /nfs/dbraw/zinc/14/65/62/541146562.db2.gz AXWPZZAFIXMKKV-OAHLLOKOSA-N 1 3 317.481 2.312 20 0 DEADHO c1cc2n(n1)C[C@H](CNC1CC[NH+](C3CCCCC3)CC1)CN2 ZINC000673811420 541146565 /nfs/dbraw/zinc/14/65/65/541146565.db2.gz AXWPZZAFIXMKKV-OAHLLOKOSA-N 1 3 317.481 2.312 20 0 DEADHO C[C@H]1[C@@H](NC(=O)NCC[N@H+](C)C2CCCCC2)CCCN1C ZINC000345369793 291286706 /nfs/dbraw/zinc/28/67/06/291286706.db2.gz YXVCKEDDWUEKMP-HOCLYGCPSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H]1[C@@H](NC(=O)NCC[N@@H+](C)C2CCCCC2)CCCN1C ZINC000345369793 291286707 /nfs/dbraw/zinc/28/67/07/291286707.db2.gz YXVCKEDDWUEKMP-HOCLYGCPSA-N 1 3 310.486 2.033 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CCN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000675497043 541346825 /nfs/dbraw/zinc/34/68/25/541346825.db2.gz UFBDXGFJDAMJOQ-MSOLQXFVSA-N 1 3 309.498 2.048 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CCN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000675497043 541346831 /nfs/dbraw/zinc/34/68/31/541346831.db2.gz UFBDXGFJDAMJOQ-MSOLQXFVSA-N 1 3 309.498 2.048 20 0 DEADHO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000449326994 240374053 /nfs/dbraw/zinc/37/40/53/240374053.db2.gz AXKXBMAENZDQFO-BRWVUGGUSA-N 1 3 307.482 2.371 20 0 DEADHO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NC ZINC000449774111 241060768 /nfs/dbraw/zinc/06/07/68/241060768.db2.gz LDXNXDBKNGDEME-UAGQMJEPSA-N 1 3 303.450 2.011 20 0 DEADHO Cc1ccc(C(C)(C)CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000629524857 367235580 /nfs/dbraw/zinc/23/55/80/367235580.db2.gz VEAZVIOQCSDRRZ-IXDOHACOSA-N 1 3 317.477 2.414 20 0 DEADHO c1c(CN[C@H]2CC[C@@H](c3ccccc3)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC000629550107 367244808 /nfs/dbraw/zinc/24/48/08/367244808.db2.gz MFVHEXCMSFJINO-SOLBZPMBSA-N 1 3 311.433 2.238 20 0 DEADHO O[C@H](CNCCCn1ccc2ccccc21)C[NH+]1CCCC1 ZINC000629555376 367248412 /nfs/dbraw/zinc/24/84/12/367248412.db2.gz WGAQOLQNBLFHBT-QGZVFWFLSA-N 1 3 301.434 2.078 20 0 DEADHO Cc1cccc2c(CCNC[C@@H](O)C[NH+]3CCCC3)c[nH]c21 ZINC000629567122 367255115 /nfs/dbraw/zinc/25/51/15/367255115.db2.gz WEVJUCKQRAUEKK-MRXNPFEDSA-N 1 3 301.434 2.065 20 0 DEADHO COCc1ccc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)o1 ZINC000629648093 367285457 /nfs/dbraw/zinc/28/54/57/367285457.db2.gz HAHMIAVMQMJUMN-RHSMWYFYSA-N 1 3 308.422 2.144 20 0 DEADHO CN(CC(=O)N(CC[NH+](C)C)Cc1ccccc1F)C1CCC1 ZINC000629973471 367410842 /nfs/dbraw/zinc/41/08/42/367410842.db2.gz PORRYKAAQGJDDD-UHFFFAOYSA-N 1 3 321.440 2.200 20 0 DEADHO COc1cccc2c1OCCC[C@H]2NCCOCC[NH+](C)C ZINC000631622139 368314926 /nfs/dbraw/zinc/31/49/26/368314926.db2.gz UGRUIPXIOJXMJF-OAHLLOKOSA-N 1 3 308.422 2.077 20 0 DEADHO [NH3+]Cc1cn([C@@H]2CCN([C@H]3CCc4c3cccc4Cl)C2)nn1 ZINC000631844882 368420784 /nfs/dbraw/zinc/42/07/84/368420784.db2.gz OIQPAFZXMIPXTK-WBMJQRKESA-N 1 3 317.824 2.325 20 0 DEADHO O=C(CC[C@H]1CC[NH2+]C1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000261539807 203075100 /nfs/dbraw/zinc/07/51/00/203075100.db2.gz DEUYTWGCNOOYMA-WMZOPIPTSA-N 1 3 315.461 2.157 20 0 DEADHO C[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)[C@@H](N)c1ccccc1 ZINC000261647820 203087893 /nfs/dbraw/zinc/08/78/93/203087893.db2.gz GBWGTGRCXOPPSP-ZWQIFLOQSA-N 1 3 323.440 2.276 20 0 DEADHO Cc1ccc([C@H](C)[NH2+]CCCCN2CCN(C)CC2)c(C)n1 ZINC000678410472 541725870 /nfs/dbraw/zinc/72/58/70/541725870.db2.gz ABQQLYFSYNWZIP-INIZCTEOSA-N 1 3 304.482 2.377 20 0 DEADHO CCC[C@H](N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262255297 203242508 /nfs/dbraw/zinc/24/25/08/203242508.db2.gz FAAVNJAPUKGAON-PVAVHDDUSA-N 1 3 303.450 2.283 20 0 DEADHO CCC[C@H](N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262255297 203242511 /nfs/dbraw/zinc/24/25/11/203242511.db2.gz FAAVNJAPUKGAON-PVAVHDDUSA-N 1 3 303.450 2.283 20 0 DEADHO C[C@H](C(=O)N1CCC[C@H]1C[NH+]1CCCC1)[C@H](N)c1ccccc1 ZINC000263229982 203446189 /nfs/dbraw/zinc/44/61/89/203446189.db2.gz BSIUGRIOHMQXIF-SZMVWBNQSA-N 1 3 315.461 2.409 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCc1cnc2c(Cl)cnn2c1 ZINC000453227208 245003253 /nfs/dbraw/zinc/00/32/53/245003253.db2.gz XUCNLMFRKZFWDZ-TYNCELHUSA-N 1 3 321.856 2.244 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCc1cnc2c(Cl)cnn2c1 ZINC000453227208 245003264 /nfs/dbraw/zinc/00/32/64/245003264.db2.gz XUCNLMFRKZFWDZ-TYNCELHUSA-N 1 3 321.856 2.244 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)[C@H](C)C1 ZINC000453333200 245076461 /nfs/dbraw/zinc/07/64/61/245076461.db2.gz BEULOXNGBNCMJZ-DWBSNAHUSA-N 1 3 323.525 2.338 20 0 DEADHO C[C@H](CNC(=O)N[C@@H](C)CC[NH+](C)C)N(C)Cc1ccccc1 ZINC000264777411 204147673 /nfs/dbraw/zinc/14/76/73/204147673.db2.gz ORYPVLOZHHSLHP-JKSUJKDBSA-N 1 3 320.481 2.146 20 0 DEADHO C[C@@H](CC[NH+](C)C)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000264862459 204218294 /nfs/dbraw/zinc/21/82/94/204218294.db2.gz FEIPWJLJRVGCJP-INIZCTEOSA-N 1 3 317.477 2.355 20 0 DEADHO C[C@@H](C(=O)NC[C@@H]1CCN1C1CCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000530024320 284319459 /nfs/dbraw/zinc/31/94/59/284319459.db2.gz LHJFDCSWLUTTDO-IVSAIRAKSA-N 1 3 307.482 2.381 20 0 DEADHO C[C@@H](C(=O)NC[C@@H]1CCN1C1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000530024320 284319462 /nfs/dbraw/zinc/31/94/62/284319462.db2.gz LHJFDCSWLUTTDO-IVSAIRAKSA-N 1 3 307.482 2.381 20 0 DEADHO [NH3+]CC1CCN(CCOc2cccc(Br)c2)CC1 ZINC000020267176 182202182 /nfs/dbraw/zinc/20/21/82/182202182.db2.gz QOKGQSWVHBDAGR-UHFFFAOYSA-N 1 3 313.239 2.499 20 0 DEADHO C[NH+](C)CCOc1ccc(CN2CCOCC3(CC3)C2)cc1 ZINC000680002160 541942518 /nfs/dbraw/zinc/94/25/18/541942518.db2.gz ZMCDTUAKWGBAQD-UHFFFAOYSA-N 1 3 304.434 2.239 20 0 DEADHO C[C@H](NC1(C(=O)Nc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000681744710 542199079 /nfs/dbraw/zinc/19/90/79/542199079.db2.gz CDGPALHJCLRCOR-AWEZNQCLSA-N 1 3 301.434 2.478 20 0 DEADHO O=C(C[C@H]1CCC[NH2+]C1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000320125582 291704481 /nfs/dbraw/zinc/70/44/81/291704481.db2.gz JNMZGSGHXWNRNG-AEFFLSMTSA-N 1 3 315.461 2.329 20 0 DEADHO COc1ccc(C[C@H](C)CNC[C@@H](O)C[NH+]2CCCC2)cc1F ZINC000273827672 211093631 /nfs/dbraw/zinc/09/36/31/211093631.db2.gz YGSJYLLGQWRZGE-GOEBONIOSA-N 1 3 324.440 2.059 20 0 DEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](CN)c1ccccc1 ZINC000269248868 207384127 /nfs/dbraw/zinc/38/41/27/207384127.db2.gz NXJAPVFPBFMNLG-UIBIWLFHSA-N 1 3 317.477 2.212 20 0 DEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](CN)c1ccccc1 ZINC000269248868 207384131 /nfs/dbraw/zinc/38/41/31/207384131.db2.gz NXJAPVFPBFMNLG-UIBIWLFHSA-N 1 3 317.477 2.212 20 0 DEADHO C[C@@H]([NH3+])C[C@H](C)NCCc1ccc(OCC(F)(F)F)nc1 ZINC000423056618 532965161 /nfs/dbraw/zinc/96/51/61/532965161.db2.gz XNMQMQVEACDCHB-MNOVXSKESA-N 1 3 305.344 2.281 20 0 DEADHO C[C@@H](N)C[C@H](C)[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000423056618 532965166 /nfs/dbraw/zinc/96/51/66/532965166.db2.gz XNMQMQVEACDCHB-MNOVXSKESA-N 1 3 305.344 2.281 20 0 DEADHO C[C@@H]([NH3+])[C@H]1COCC[C@H]1NC[C@@H](C)Oc1ccccc1Cl ZINC000422923688 533003422 /nfs/dbraw/zinc/00/34/22/533003422.db2.gz SMQYLQSCTLZWPM-RGCMKSIDSA-N 1 3 312.841 2.449 20 0 DEADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]CCCN1CCCC1=O ZINC000556764767 291838664 /nfs/dbraw/zinc/83/86/64/291838664.db2.gz DLXPCMWJHLSPKC-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000361426579 285198568 /nfs/dbraw/zinc/19/85/68/285198568.db2.gz SQQTZVHLTMUFIY-IAGOWNOFSA-N 1 3 324.513 2.425 20 0 DEADHO CCNC(=O)c1ccc(C[NH2+][C@H]2C[C@H](C)N(C)C[C@@H]2C)cc1 ZINC000156509297 197119149 /nfs/dbraw/zinc/11/91/49/197119149.db2.gz LLBGFHPWAJOQEG-ZQIUZPCESA-N 1 3 303.450 2.255 20 0 DEADHO COc1ccc([C@H](CN[C@@H](C)C2C[NH2+]C2)N2CCCCC2)cc1 ZINC000422772881 533184055 /nfs/dbraw/zinc/18/40/55/533184055.db2.gz ZEYWVALZIDZEEK-KXBFYZLASA-N 1 3 317.477 2.420 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)CC(F)F ZINC000411820501 285245998 /nfs/dbraw/zinc/24/59/98/285245998.db2.gz HIMRTCCCCJPCFR-UONOGXRCSA-N 1 3 319.440 2.152 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)CC(F)F ZINC000411820501 285246001 /nfs/dbraw/zinc/24/60/01/285246001.db2.gz HIMRTCCCCJPCFR-UONOGXRCSA-N 1 3 319.440 2.152 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1C)N(C)C ZINC001422515362 1172668380 /nfs/dbraw/zinc/66/83/80/1172668380.db2.gz ADWGVIZJHNKPKW-NVXWUHKLSA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1C)N(C)C ZINC001422515362 1172668387 /nfs/dbraw/zinc/66/83/87/1172668387.db2.gz ADWGVIZJHNKPKW-NVXWUHKLSA-N 1 3 305.466 2.272 20 0 DEADHO CCc1ncc(C[NH2+]CC2CCN(c3ccncc3)CC2)cn1 ZINC000560881332 291948632 /nfs/dbraw/zinc/94/86/32/291948632.db2.gz ONVUPMKLYOKCTP-UHFFFAOYSA-N 1 3 311.433 2.440 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+][C@H](C)CC(C)(C)O)CC1 ZINC000449447703 285339389 /nfs/dbraw/zinc/33/93/89/285339389.db2.gz BERGJEKLPUTXFO-MRXNPFEDSA-N 1 3 319.493 2.468 20 0 DEADHO C[C@@H]([NH2+]C1CC1)C(=O)N(CCCc1ccccc1)CCN(C)C ZINC000294976686 533332003 /nfs/dbraw/zinc/33/20/03/533332003.db2.gz GTBQCRKHGLVDER-MRXNPFEDSA-N 1 3 317.477 2.150 20 0 DEADHO C[C@@H](NCC1(N2CCSCC2)CCCCC1)[C@H]1CCC[NH2+]1 ZINC000422710008 533362251 /nfs/dbraw/zinc/36/22/51/533362251.db2.gz KPZSRYGWGUBWRN-HZPDHXFCSA-N 1 3 311.539 2.468 20 0 DEADHO C[C@@H](NC(C)(C)CNC(=O)NC1CC[NH2+]CC1)c1ccccc1 ZINC000417712499 533322951 /nfs/dbraw/zinc/32/29/51/533322951.db2.gz XFCGWKYTPWAOMA-CQSZACIVSA-N 1 3 318.465 2.167 20 0 DEADHO C[C@@H](NC[C@H]1CC(=O)N(Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423015781 533432418 /nfs/dbraw/zinc/43/24/18/533432418.db2.gz RSFTVUDYLVKWBO-NXHRZFHOSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H](N)c1ccccc1 ZINC000418423167 533592622 /nfs/dbraw/zinc/59/26/22/533592622.db2.gz FJGYXQIWZWOMDE-PBHICJAKSA-N 1 3 318.465 2.058 20 0 DEADHO C[C@@H](CCC[NH3+])NCc1cn2cc(Br)ccc2n1 ZINC000422734585 533555003 /nfs/dbraw/zinc/55/50/03/533555003.db2.gz UBQUTSTWZJEUCV-JTQLQIEISA-N 1 3 311.227 2.314 20 0 DEADHO C[C@H]1CCNCC[C@@H]1[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000422687675 533660775 /nfs/dbraw/zinc/66/07/75/533660775.db2.gz BTOFUGINMQSVEU-YJBOKZPZSA-N 1 3 302.466 2.024 20 0 DEADHO c1ncn(-c2ccccc2C[NH2+]C2CC(N3CCCCC3)C2)n1 ZINC000684425742 542605634 /nfs/dbraw/zinc/60/56/34/542605634.db2.gz NRKMUZHHUZCJIV-UHFFFAOYSA-N 1 3 311.433 2.374 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000355414058 133025044 /nfs/dbraw/zinc/02/50/44/133025044.db2.gz YJJHBBAYUQSHJB-YYIAUSFCSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000355414058 133025045 /nfs/dbraw/zinc/02/50/45/133025045.db2.gz YJJHBBAYUQSHJB-YYIAUSFCSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](NC(=O)C1CCN(C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358108766 133121451 /nfs/dbraw/zinc/12/14/51/133121451.db2.gz WUSILAXJGMLMAN-ZBFHGGJFSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H](NC(=O)C1CCN(C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358108766 133121452 /nfs/dbraw/zinc/12/14/52/133121452.db2.gz WUSILAXJGMLMAN-ZBFHGGJFSA-N 1 3 307.482 2.097 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2cccnc2)C[C@@H]1C ZINC000358228498 133129687 /nfs/dbraw/zinc/12/96/87/133129687.db2.gz VOJZLMURNHNPCM-HOCLYGCPSA-N 1 3 304.438 2.215 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2cccnc2)C[C@@H]1C ZINC000358228498 133129688 /nfs/dbraw/zinc/12/96/88/133129688.db2.gz VOJZLMURNHNPCM-HOCLYGCPSA-N 1 3 304.438 2.215 20 0 DEADHO CC(C)N(C)CCC[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000359642924 133136446 /nfs/dbraw/zinc/13/64/46/133136446.db2.gz OTYQEYKDOLKRTI-UHFFFAOYSA-N 1 3 304.482 2.366 20 0 DEADHO CC[NH+](CC)CCCC1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000359879398 133150490 /nfs/dbraw/zinc/15/04/90/133150490.db2.gz QFNZFDAQKXJALC-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000360220218 133169559 /nfs/dbraw/zinc/16/95/59/133169559.db2.gz YJPVUDFWCSSITM-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO COc1cc([C@H](C)N[C@@H]2CC[N@H+](C)C[C@H]2C)ccc1OCCO ZINC000360338762 133176572 /nfs/dbraw/zinc/17/65/72/133176572.db2.gz RMDZEJLODIXQSP-IJEWVQPXSA-N 1 3 322.449 2.057 20 0 DEADHO COc1cc([C@H](C)N[C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1OCCO ZINC000360338762 133176573 /nfs/dbraw/zinc/17/65/73/133176573.db2.gz RMDZEJLODIXQSP-IJEWVQPXSA-N 1 3 322.449 2.057 20 0 DEADHO C[C@@H]1CN(CCOc2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000362077053 133209390 /nfs/dbraw/zinc/20/93/90/133209390.db2.gz IFJVXBOTMILVLC-MJGOQNOKSA-N 1 3 317.477 2.023 20 0 DEADHO C[C@@H]1C[N@H+](CCOc2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000362077053 133209391 /nfs/dbraw/zinc/20/93/91/133209391.db2.gz IFJVXBOTMILVLC-MJGOQNOKSA-N 1 3 317.477 2.023 20 0 DEADHO C[C@@H]1C[N@@H+](CCOc2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000362077053 133209392 /nfs/dbraw/zinc/20/93/92/133209392.db2.gz IFJVXBOTMILVLC-MJGOQNOKSA-N 1 3 317.477 2.023 20 0 DEADHO CC[NH+]1CCC(NC[C@H](O)COc2c(C)ccc(C)c2C)CC1 ZINC000562984511 292021580 /nfs/dbraw/zinc/02/15/80/292021580.db2.gz FSEZHGDESPOCLS-SFHVURJKSA-N 1 3 320.477 2.425 20 0 DEADHO O=C1CCCN1C[C@@H]1CCCC[N@@H+]1CCCN1CCCCC1 ZINC000372509979 133356582 /nfs/dbraw/zinc/35/65/82/133356582.db2.gz ZSKCWVPIIVUHCK-KRWDZBQOSA-N 1 3 307.482 2.339 20 0 DEADHO O=C1CCCN1C[C@@H]1CCCC[N@H+]1CCCN1CCCCC1 ZINC000372509979 133356583 /nfs/dbraw/zinc/35/65/83/133356583.db2.gz ZSKCWVPIIVUHCK-KRWDZBQOSA-N 1 3 307.482 2.339 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC(C)([NH2+]CCC2CC2)CC1)N(C)C ZINC001368661239 1148559016 /nfs/dbraw/zinc/55/90/16/1148559016.db2.gz CYGVMGRLQZNCHQ-MRXNPFEDSA-N 1 3 309.498 2.343 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC1CCCCCC1 ZINC000563085831 292030362 /nfs/dbraw/zinc/03/03/62/292030362.db2.gz ZLVJTPATSGDIGD-UHFFFAOYSA-N 1 3 312.502 2.092 20 0 DEADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CC[NH2+]C1CC1 ZINC000563410443 292054808 /nfs/dbraw/zinc/05/48/08/292054808.db2.gz GMXJCPCLBRQFKN-UHFFFAOYSA-N 1 3 323.868 2.372 20 0 DEADHO C[C@@H](NC(=O)N(C)CCC[NH+](C)C)[C@@H](c1ccccc1)N(C)C ZINC000563932935 292080303 /nfs/dbraw/zinc/08/03/03/292080303.db2.gz ARNIQLUTFXXNJG-WBVHZDCISA-N 1 3 320.481 2.271 20 0 DEADHO COC1(CN(C)CC[N@H+](C)C2CCN(C)CC2)CCCCC1 ZINC000349079010 292109073 /nfs/dbraw/zinc/10/90/73/292109073.db2.gz RTNOQOXYTOSYTA-UHFFFAOYSA-N 1 3 311.514 2.294 20 0 DEADHO COC1(CN(C)CC[N@@H+](C)C2CCN(C)CC2)CCCCC1 ZINC000349079010 292109074 /nfs/dbraw/zinc/10/90/74/292109074.db2.gz RTNOQOXYTOSYTA-UHFFFAOYSA-N 1 3 311.514 2.294 20 0 DEADHO CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](C)NC[C@@H]2C)cc1)C1CC1 ZINC000356373697 404482941 /nfs/dbraw/zinc/48/29/41/404482941.db2.gz RPDJJAXKPOGZHI-CABCVRRESA-N 1 3 315.461 2.493 20 0 DEADHO CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](C)NC[C@@H]2C)cc1)C1CC1 ZINC000356373697 404482946 /nfs/dbraw/zinc/48/29/46/404482946.db2.gz RPDJJAXKPOGZHI-CABCVRRESA-N 1 3 315.461 2.493 20 0 DEADHO Cn1c2cccc(F)c2nc1CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246406148 145102490 /nfs/dbraw/zinc/10/24/90/145102490.db2.gz MCZFJMJGQJYFRI-KBPBESRZSA-N 1 3 316.424 2.471 20 0 DEADHO Cn1c2cccc(F)c2nc1CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246406148 145102491 /nfs/dbraw/zinc/10/24/91/145102491.db2.gz MCZFJMJGQJYFRI-KBPBESRZSA-N 1 3 316.424 2.471 20 0 DEADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(c3ncccc3F)C2)[C@H](C)C1 ZINC000247253328 145130636 /nfs/dbraw/zinc/13/06/36/145130636.db2.gz YLZQNLUQZPJIQS-YCPHGPKFSA-N 1 3 306.429 2.119 20 0 DEADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(c3ncccc3F)C2)[C@H](C)C1 ZINC000247253328 145130637 /nfs/dbraw/zinc/13/06/37/145130637.db2.gz YLZQNLUQZPJIQS-YCPHGPKFSA-N 1 3 306.429 2.119 20 0 DEADHO C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)N(C)C ZINC000249032873 145176315 /nfs/dbraw/zinc/17/63/15/145176315.db2.gz RQNWKSMKMCMYRH-OWLYRPNTSA-N 1 3 315.461 2.248 20 0 DEADHO C[C@H](NC(=O)[C@@H](N)C(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261532506 145206322 /nfs/dbraw/zinc/20/63/22/145206322.db2.gz AKOYCHHAXTVUTQ-BHYGNILZSA-N 1 3 317.477 2.387 20 0 DEADHO C[C@H](NC(=O)[C@@H](N)C(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261532506 145206324 /nfs/dbraw/zinc/20/63/24/145206324.db2.gz AKOYCHHAXTVUTQ-BHYGNILZSA-N 1 3 317.477 2.387 20 0 DEADHO C[C@H]([NH3+])CC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000261788464 145226463 /nfs/dbraw/zinc/22/64/63/145226463.db2.gz KCYYEBHKUCGPHG-UXLLHSPISA-N 1 3 303.450 2.235 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000261896187 145238556 /nfs/dbraw/zinc/23/85/56/145238556.db2.gz UMFJXNWUISFUCP-JFIYKMOQSA-N 1 3 315.461 2.328 20 0 DEADHO C[NH2+]CC1CCN(Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000261956197 145246785 /nfs/dbraw/zinc/24/67/85/145246785.db2.gz ORAOPBIJSOBHMF-UHFFFAOYSA-N 1 3 319.840 2.352 20 0 DEADHO COc1cc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc(OC)c1OC ZINC000262126015 145263705 /nfs/dbraw/zinc/26/37/05/145263705.db2.gz LATJNDSUKUSXDJ-KGLIPLIRSA-N 1 3 308.422 2.320 20 0 DEADHO c1cncc(-c2cccc(CN3CC[C@H](N4CC[NH2+]CC4)C3)c2)c1 ZINC000262174746 145267616 /nfs/dbraw/zinc/26/76/16/145267616.db2.gz VUKSGKBVFDBBNN-FQEVSTJZSA-N 1 3 322.456 2.228 20 0 DEADHO Cc1ccsc1CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262308268 145275091 /nfs/dbraw/zinc/27/50/91/145275091.db2.gz PMAFIDNVLQYYTF-HUUCEWRRSA-N 1 3 321.490 2.137 20 0 DEADHO CN(C)CCN(C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCC1 ZINC000262370387 145279448 /nfs/dbraw/zinc/27/94/48/145279448.db2.gz XKXMFLQJDLFUJQ-MQVJKMGUSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000263058720 145321407 /nfs/dbraw/zinc/32/14/07/145321407.db2.gz VCZFEVRFCHOMGU-LNLFQRSKSA-N 1 3 315.461 2.285 20 0 DEADHO NCc1cc(NC(=O)[C@H]2CCC[NH2+]C2)cc(C(F)(F)F)c1 ZINC000263063363 145322115 /nfs/dbraw/zinc/32/21/15/145322115.db2.gz YMHAJFZZLCSNKV-JTQLQIEISA-N 1 3 301.312 2.102 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000309855309 145350726 /nfs/dbraw/zinc/35/07/26/145350726.db2.gz BURLFSNCTXZAGB-FGTMMUONSA-N 1 3 315.461 2.142 20 0 DEADHO CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309732060 145351153 /nfs/dbraw/zinc/35/11/53/145351153.db2.gz SJRNSEBGADGWON-XYJFISCASA-N 1 3 317.477 2.400 20 0 DEADHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)[C@@H]1CCCO1 ZINC000346473035 146088110 /nfs/dbraw/zinc/08/81/10/146088110.db2.gz DWRUBZAXPIYDDF-LPHOPBHVSA-N 1 3 317.477 2.091 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]CC[C@@H]2CCCN2C)[C@H](C)C1 ZINC000346605968 146109332 /nfs/dbraw/zinc/10/93/32/146109332.db2.gz JEBYWIBYZJJNLQ-SQNIBIBYSA-N 1 3 311.514 2.197 20 0 DEADHO Cc1nc(COc2ccc(CN3C[C@@H](C[NH3+])C[C@H]3C)cc2)no1 ZINC000346686172 146124171 /nfs/dbraw/zinc/12/41/71/146124171.db2.gz TVXVHPYNAMACSW-IUODEOHRSA-N 1 3 316.405 2.126 20 0 DEADHO C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccccc2N2CCOCC2)C1 ZINC000347008706 146179354 /nfs/dbraw/zinc/17/93/54/146179354.db2.gz RYIVFTWUUBGDGQ-CVEARBPZSA-N 1 3 303.450 2.082 20 0 DEADHO COCCN1CCC([NH2+][C@H](CN(C)C)c2ccc(F)cc2)CC1 ZINC000348412987 146267708 /nfs/dbraw/zinc/26/77/08/146267708.db2.gz OOOCYLPRUPEIAY-GOSISDBHSA-N 1 3 323.456 2.129 20 0 DEADHO CN1CC[NH+](CC2CCN(C/C=C\c3ccncc3)CC2)CC1 ZINC000349038619 146343568 /nfs/dbraw/zinc/34/35/68/146343568.db2.gz VUQHTXGZKWEXGK-IHWYPQMZSA-N 1 3 314.477 2.054 20 0 DEADHO CCC[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cccnc1 ZINC000349445562 146379402 /nfs/dbraw/zinc/37/94/02/146379402.db2.gz FVCIYUVKOGBVLO-IAGOWNOFSA-N 1 3 318.465 2.100 20 0 DEADHO C[C@H](CNC(=O)[C@H](CN)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000358863959 147220467 /nfs/dbraw/zinc/22/04/67/147220467.db2.gz WVJAKYJYMUODOA-CKEIUWERSA-N 1 3 321.440 2.105 20 0 DEADHO C[C@H](CNC(=O)[C@H](CN)c1ccc(F)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000358863959 147220471 /nfs/dbraw/zinc/22/04/71/147220471.db2.gz WVJAKYJYMUODOA-CKEIUWERSA-N 1 3 321.440 2.105 20 0 DEADHO C[C@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)C1CCOCC1 ZINC000359242512 147289638 /nfs/dbraw/zinc/28/96/38/147289638.db2.gz QBLMJRNNUYDRNO-HNAYVOBHSA-N 1 3 318.461 2.158 20 0 DEADHO CCCN(C)CC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000359250430 147291876 /nfs/dbraw/zinc/29/18/76/147291876.db2.gz LAXUOZLZFCRJQZ-UHFFFAOYSA-N 1 3 317.477 2.357 20 0 DEADHO C[C@H](CC(=O)Nc1cc(CN(C)C)ccn1)[C@H]1CCC[NH2+]C1 ZINC000565714978 292177422 /nfs/dbraw/zinc/17/74/22/292177422.db2.gz PUBYHKDLIDGZPF-HIFRSBDPSA-N 1 3 304.438 2.108 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)C23CCCN2CCC3)CC1 ZINC000370602449 148034708 /nfs/dbraw/zinc/03/47/08/148034708.db2.gz OUBGJYSPNFSSGU-UHFFFAOYSA-N 1 3 307.482 2.243 20 0 DEADHO C[C@H](C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)[C@@H](N)c1ccccc1 ZINC000371227696 148075570 /nfs/dbraw/zinc/07/55/70/148075570.db2.gz FDUMAZGHXZOVDA-JCGIZDLHSA-N 1 3 315.461 2.313 20 0 DEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000371505958 148111969 /nfs/dbraw/zinc/11/19/69/148111969.db2.gz NAMKMXBSXKQCJP-VQIMIIECSA-N 1 3 314.477 2.144 20 0 DEADHO CO[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000423139709 286013638 /nfs/dbraw/zinc/01/36/38/286013638.db2.gz WLGGJKUVPSOWEJ-KBAYOESNSA-N 1 3 302.418 2.257 20 0 DEADHO C[C@@H](C(=O)N1CCC2(CCC[N@@H+]2C)CC1)N1[C@H](C)CC[C@H]1C ZINC000375202047 148342784 /nfs/dbraw/zinc/34/27/84/148342784.db2.gz OQXQETJLEJUMKP-OAGGEKHMSA-N 1 3 307.482 2.335 20 0 DEADHO C[C@@H](C(=O)N1CCC2(CCC[N@H+]2C)CC1)N1[C@H](C)CC[C@H]1C ZINC000375202047 148342787 /nfs/dbraw/zinc/34/27/87/148342787.db2.gz OQXQETJLEJUMKP-OAGGEKHMSA-N 1 3 307.482 2.335 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)N2CCCC2)cc1 ZINC000237880073 292200510 /nfs/dbraw/zinc/20/05/10/292200510.db2.gz GGCFPGOJNKZDOS-MJGOQNOKSA-N 1 3 315.461 2.248 20 0 DEADHO Cc1nccn1CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000566089459 292203931 /nfs/dbraw/zinc/20/39/31/292203931.db2.gz ZFLYZVYXPCEZQE-FUHWJXTLSA-N 1 3 312.417 2.037 20 0 DEADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000073897838 401724833 /nfs/dbraw/zinc/72/48/33/401724833.db2.gz DXPQISRVYJWXAB-IRXDYDNUSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2CCCC(C)(C)CC2)CC1 ZINC000126998762 401716252 /nfs/dbraw/zinc/71/62/52/401716252.db2.gz CGRCZJPOUMKKEK-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[C@@H]1CCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000114456023 401800015 /nfs/dbraw/zinc/80/00/15/401800015.db2.gz GSFXXPRSDOQRNG-KRWDZBQOSA-N 1 3 309.498 2.486 20 0 DEADHO CN1CCCN(CCC[NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000128229421 401768062 /nfs/dbraw/zinc/76/80/62/401768062.db2.gz OPAPKXDECIAAFG-UHFFFAOYSA-N 1 3 305.510 2.428 20 0 DEADHO C[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)N1CCC(C)CC1 ZINC000115811984 401837730 /nfs/dbraw/zinc/83/77/30/401837730.db2.gz CBOYVTWIXLLKLG-IRXDYDNUSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)N1CCC(C)CC1 ZINC000115811984 401837732 /nfs/dbraw/zinc/83/77/32/401837732.db2.gz CBOYVTWIXLLKLG-IRXDYDNUSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000116065129 401841309 /nfs/dbraw/zinc/84/13/09/401841309.db2.gz YYZMZIPYLFRLIT-RHSMWYFYSA-N 1 3 301.434 2.080 20 0 DEADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCCc1nc(-c2cccs2)no1 ZINC000131618361 401853394 /nfs/dbraw/zinc/85/33/94/401853394.db2.gz FZGKIRFKANNHJO-NEPJUHHUSA-N 1 3 306.435 2.400 20 0 DEADHO C[C@H]1C[C@@H](C[NH3+])CN1CCCc1nc(-c2cccs2)no1 ZINC000131618578 401853581 /nfs/dbraw/zinc/85/35/81/401853581.db2.gz FZGKIRFKANNHJO-RYUDHWBXSA-N 1 3 306.435 2.400 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)NCCCC3CC3)CC2)CC1 ZINC000132138368 401862720 /nfs/dbraw/zinc/86/27/20/401862720.db2.gz KHEPNYNOHDQWAV-UHFFFAOYSA-N 1 3 322.497 2.034 20 0 DEADHO COc1cccc([C@H](C[NH2+][C@H]2CCN(C)C[C@@H]2C)N(C)C)c1 ZINC000133668423 401892949 /nfs/dbraw/zinc/89/29/49/401892949.db2.gz PRRBHNNRSIAVEH-WBAXXEDZSA-N 1 3 305.466 2.228 20 0 DEADHO COc1cccc([C@H](CN[C@H]2CC[N@H+](C)C[C@@H]2C)N(C)C)c1 ZINC000133668423 401892951 /nfs/dbraw/zinc/89/29/51/401892951.db2.gz PRRBHNNRSIAVEH-WBAXXEDZSA-N 1 3 305.466 2.228 20 0 DEADHO COc1cccc([C@H](CN[C@H]2CC[N@@H+](C)C[C@@H]2C)N(C)C)c1 ZINC000133668423 401892952 /nfs/dbraw/zinc/89/29/52/401892952.db2.gz PRRBHNNRSIAVEH-WBAXXEDZSA-N 1 3 305.466 2.228 20 0 DEADHO CN(c1ccccc1C[N@H+](C)CC(C)(C)O)C1CCN(C)CC1 ZINC000093414603 402015649 /nfs/dbraw/zinc/01/56/49/402015649.db2.gz VEQQMSQSDYFQTM-UHFFFAOYSA-N 1 3 319.493 2.420 20 0 DEADHO CN(c1ccccc1C[N@@H+](C)CC(C)(C)O)C1CCN(C)CC1 ZINC000093414603 402015650 /nfs/dbraw/zinc/01/56/50/402015650.db2.gz VEQQMSQSDYFQTM-UHFFFAOYSA-N 1 3 319.493 2.420 20 0 DEADHO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccco1)N1CCCCCC1 ZINC000121226199 402021915 /nfs/dbraw/zinc/02/19/15/402021915.db2.gz SEGSWFDGXJOXEG-INIZCTEOSA-N 1 3 321.465 2.434 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@@H]3C=CCC3)CC2)CC1 ZINC000050801366 402029647 /nfs/dbraw/zinc/02/96/47/402029647.db2.gz LSYXHAMEHSVNGM-OAHLLOKOSA-N 1 3 305.466 2.018 20 0 DEADHO Cc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000050802092 402029881 /nfs/dbraw/zinc/02/98/81/402029881.db2.gz JDQJHWHUQDWSNH-UHFFFAOYSA-N 1 3 315.461 2.283 20 0 DEADHO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000152212767 402082158 /nfs/dbraw/zinc/08/21/58/402082158.db2.gz ILHTWEIXBORPPS-RHSMWYFYSA-N 1 3 303.450 2.256 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1)N(C)C ZINC000152336812 402090479 /nfs/dbraw/zinc/09/04/79/402090479.db2.gz DIWVJPUAHZRINV-IAGOWNOFSA-N 1 3 303.450 2.107 20 0 DEADHO COC(=O)CCN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000103143020 402179980 /nfs/dbraw/zinc/17/99/80/402179980.db2.gz RYHNFYSZJJUREZ-UHFFFAOYSA-N 1 3 304.434 2.394 20 0 DEADHO COC(=O)CCN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000103143020 402179983 /nfs/dbraw/zinc/17/99/83/402179983.db2.gz RYHNFYSZJJUREZ-UHFFFAOYSA-N 1 3 304.434 2.394 20 0 DEADHO CC[C@@H](C)[C@@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000101998136 402160620 /nfs/dbraw/zinc/16/06/20/402160620.db2.gz YRCJTMZZEWQYDQ-HUUCEWRRSA-N 1 3 324.513 2.279 20 0 DEADHO CN(Cc1cccc(C[N@H+](C)[C@@H]2CCOC2)c1)[C@@H]1CCOC1 ZINC000106883264 402220200 /nfs/dbraw/zinc/22/02/00/402220200.db2.gz GODYPWMVFBHGJY-QZTJIDSGSA-N 1 3 304.434 2.128 20 0 DEADHO CN(Cc1cccc(C[N@@H+](C)[C@@H]2CCOC2)c1)[C@@H]1CCOC1 ZINC000106883264 402220202 /nfs/dbraw/zinc/22/02/02/402220202.db2.gz GODYPWMVFBHGJY-QZTJIDSGSA-N 1 3 304.434 2.128 20 0 DEADHO Cc1cc(NC(=O)C2CC[NH+](CC[C@@H]3CCCN3C)CC2)no1 ZINC000125783669 402249969 /nfs/dbraw/zinc/24/99/69/402249969.db2.gz PSFRYNPPQQPODO-HNNXBMFYSA-N 1 3 320.437 2.118 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCC[NH+]1CCCCC1 ZINC000176364454 402303140 /nfs/dbraw/zinc/30/31/40/402303140.db2.gz KZCQCBQSXJLWOY-SJORKVTESA-N 1 3 322.497 2.131 20 0 DEADHO CC[NH+]1CCC(NC[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000223374769 402310666 /nfs/dbraw/zinc/31/06/66/402310666.db2.gz MLKXYMJRFWTENW-HNNXBMFYSA-N 1 3 311.470 2.460 20 0 DEADHO CN(C)[C@@H](CNC(=O)N(C)CC[N@H+](C)C1CC1)c1ccccc1 ZINC000185050695 402320760 /nfs/dbraw/zinc/32/07/60/402320760.db2.gz JVUNXRSZRJLPTH-KRWDZBQOSA-N 1 3 318.465 2.025 20 0 DEADHO CN(C)[C@@H](CNC(=O)N(C)CC[N@@H+](C)C1CC1)c1ccccc1 ZINC000185050695 402320762 /nfs/dbraw/zinc/32/07/62/402320762.db2.gz JVUNXRSZRJLPTH-KRWDZBQOSA-N 1 3 318.465 2.025 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176577858 402321200 /nfs/dbraw/zinc/32/12/00/402321200.db2.gz IEYGRBWKHYVAGD-NCOADZHNSA-N 1 3 322.497 2.127 20 0 DEADHO C[NH+](C)CCOCCNCc1ccc(OC(F)(F)F)cc1 ZINC000231676666 402354923 /nfs/dbraw/zinc/35/49/23/402354923.db2.gz CKCRQKMFZWVVEU-UHFFFAOYSA-N 1 3 306.328 2.253 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)CCN(C)C2CC2)C1 ZINC000185579311 402363118 /nfs/dbraw/zinc/36/31/18/402363118.db2.gz LYFKEOVIIQDPDN-INIZCTEOSA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(C)CCN(C)C2CC2)C1 ZINC000185579311 402363121 /nfs/dbraw/zinc/36/31/21/402363121.db2.gz LYFKEOVIIQDPDN-INIZCTEOSA-N 1 3 324.513 2.090 20 0 DEADHO COC(=O)COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCN2C)cc1 ZINC000185656662 402367363 /nfs/dbraw/zinc/36/73/63/402367363.db2.gz JHMVMCMTHOZDBN-GDBMZVCRSA-N 1 3 320.433 2.373 20 0 DEADHO COC(=O)COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCN2C)cc1 ZINC000185656611 402367479 /nfs/dbraw/zinc/36/74/79/402367479.db2.gz JHMVMCMTHOZDBN-HOCLYGCPSA-N 1 3 320.433 2.373 20 0 DEADHO CC(C)C[C@H]([NH3+])C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000236731884 402378960 /nfs/dbraw/zinc/37/89/60/402378960.db2.gz YJWAYEUBFNJMLG-PVAVHDDUSA-N 1 3 303.450 2.139 20 0 DEADHO CN1CCC[C@@H]1CC[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000185194557 402332961 /nfs/dbraw/zinc/33/29/61/402332961.db2.gz GZSNOXIAXUCCPQ-HUUCEWRRSA-N 1 3 311.470 2.364 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCN[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000185194557 402332964 /nfs/dbraw/zinc/33/29/64/402332964.db2.gz GZSNOXIAXUCCPQ-HUUCEWRRSA-N 1 3 311.470 2.364 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCN[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000185194557 402332967 /nfs/dbraw/zinc/33/29/67/402332967.db2.gz GZSNOXIAXUCCPQ-HUUCEWRRSA-N 1 3 311.470 2.364 20 0 DEADHO CC(=O)NC1CCC([NH2+]Cc2cccc(CN(C)C)c2)CC1 ZINC000161775301 402398441 /nfs/dbraw/zinc/39/84/41/402398441.db2.gz QUHQNNPXLWHMCD-UHFFFAOYSA-N 1 3 303.450 2.285 20 0 DEADHO COc1ccsc1[C@H](C)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000186102711 402401828 /nfs/dbraw/zinc/40/18/28/402401828.db2.gz XHBGRPBOAPRBQH-ZDUSSCGKSA-N 1 3 311.495 2.433 20 0 DEADHO O=C1CC[C@@H]2C[N@H+](CCCN3CCCCC3)CC[C@H]2N1C1CC1 ZINC000162002901 402406255 /nfs/dbraw/zinc/40/62/55/402406255.db2.gz LIHVCCRRVFVVAF-SJLPKXTDSA-N 1 3 319.493 2.338 20 0 DEADHO O=C1CC[C@@H]2C[N@@H+](CCCN3CCCCC3)CC[C@H]2N1C1CC1 ZINC000162002901 402406257 /nfs/dbraw/zinc/40/62/57/402406257.db2.gz LIHVCCRRVFVVAF-SJLPKXTDSA-N 1 3 319.493 2.338 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)N(C)Cc1ccccc1 ZINC000237436556 402408364 /nfs/dbraw/zinc/40/83/64/402408364.db2.gz JZAMQJXZIRIVBF-DJIMGWMZSA-N 1 3 303.450 2.141 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000237481940 402409434 /nfs/dbraw/zinc/40/94/34/402409434.db2.gz OILKKOVOQPIGEQ-KXBFYZLASA-N 1 3 315.461 2.328 20 0 DEADHO C(CN1CCCCC1)C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000162134618 402410823 /nfs/dbraw/zinc/41/08/23/402410823.db2.gz NAQBGRAZPDVWIV-QGZVFWFLSA-N 1 3 310.482 2.380 20 0 DEADHO C(CN1CCCCC1)C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000162134740 402411050 /nfs/dbraw/zinc/41/10/50/402411050.db2.gz NAQBGRAZPDVWIV-KRWDZBQOSA-N 1 3 310.482 2.380 20 0 DEADHO Cc1ccc(CN(C)C)cc1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000237050827 402393004 /nfs/dbraw/zinc/39/30/04/402393004.db2.gz MQLXYAJQCYIVSX-CQSZACIVSA-N 1 3 307.463 2.090 20 0 DEADHO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000237078077 402394407 /nfs/dbraw/zinc/39/44/07/402394407.db2.gz QDHCWMXNJJLVBZ-KCQAQPDRSA-N 1 3 309.479 2.375 20 0 DEADHO Cc1nn(C)cc1[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000178037040 402454372 /nfs/dbraw/zinc/45/43/72/402454372.db2.gz WZIJAPZKNHHCMU-ZNMIVQPWSA-N 1 3 308.470 2.269 20 0 DEADHO CCn1cc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000178038253 402454415 /nfs/dbraw/zinc/45/44/15/402454415.db2.gz BKRBSGJHWMGKPB-OAGGEKHMSA-N 1 3 308.470 2.443 20 0 DEADHO C[C@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)[C@H](N)c1ccccc1 ZINC000165322188 402474812 /nfs/dbraw/zinc/47/48/12/402474812.db2.gz OFUQFIQDEOAXDG-UXLLHSPISA-N 1 3 303.450 2.123 20 0 DEADHO C[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)[C@H](N)c1ccccc1 ZINC000165322188 402474814 /nfs/dbraw/zinc/47/48/14/402474814.db2.gz OFUQFIQDEOAXDG-UXLLHSPISA-N 1 3 303.450 2.123 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)C[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000167622627 402492622 /nfs/dbraw/zinc/49/26/22/402492622.db2.gz NHRXJPZMTPARJU-GOEBONIOSA-N 1 3 303.450 2.374 20 0 DEADHO COCCC[C@H](C)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000178414774 402495888 /nfs/dbraw/zinc/49/58/88/402495888.db2.gz ZULRHHHGVPJBGI-KRWDZBQOSA-N 1 3 319.493 2.339 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)CN1C1CC1 ZINC000246422541 402530605 /nfs/dbraw/zinc/53/06/05/402530605.db2.gz VTPVQJJVYFZZNI-BZUAXINKSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NCCC[N@H+]2CCCC[C@H]2C)CN1C1CC1 ZINC000246422541 402530606 /nfs/dbraw/zinc/53/06/06/402530606.db2.gz VTPVQJJVYFZZNI-BZUAXINKSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1C[NH+](CC2CCN(CCOCC(F)F)CC2)C[C@@H](C)O1 ZINC000189057755 402530748 /nfs/dbraw/zinc/53/07/48/402530748.db2.gz MIGBKRURJNGOKK-ZIAGYGMSSA-N 1 3 320.424 2.089 20 0 DEADHO CC(C)C[C@H](N)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000178732128 402531854 /nfs/dbraw/zinc/53/18/54/402531854.db2.gz RHDXLFSGAFOYAS-SFHVURJKSA-N 1 3 317.477 2.388 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1C=CCCC1 ZINC000246561568 402536502 /nfs/dbraw/zinc/53/65/02/402536502.db2.gz NJSFSZOCHBUMAK-SJORKVTESA-N 1 3 322.497 2.153 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1C=CCCC1 ZINC000246561568 402536505 /nfs/dbraw/zinc/53/65/05/402536505.db2.gz NJSFSZOCHBUMAK-SJORKVTESA-N 1 3 322.497 2.153 20 0 DEADHO C[C@@H]1CCCN(C(=O)C2CC[NH+](CC[C@H]3CCCN3C)CC2)C1 ZINC000179404761 402588669 /nfs/dbraw/zinc/58/86/69/402588669.db2.gz QCRAAPBYQPBVFS-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCCN(C(=O)C2CC[NH+](CC[C@@H]3CCCN3C)CC2)C1 ZINC000179404753 402588814 /nfs/dbraw/zinc/58/88/14/402588814.db2.gz QCRAAPBYQPBVFS-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO C(N1C[C@@H]2CCC[C@H]2C1)C1(C[NH+]2C[C@H]3CCC[C@@H]3C2)COC1 ZINC000248408251 402589724 /nfs/dbraw/zinc/58/97/24/402589724.db2.gz BZCPIWCMEAQCEX-BALXVJCKSA-N 1 3 304.478 2.467 20 0 DEADHO C(N1C[C@H]2CCC[C@@H]2C1)C1(C[NH+]2C[C@@H]3CCC[C@H]3C2)COC1 ZINC000248408251 402589725 /nfs/dbraw/zinc/58/97/25/402589725.db2.gz BZCPIWCMEAQCEX-BALXVJCKSA-N 1 3 304.478 2.467 20 0 DEADHO C[C@H](NCCn1cccn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000180431022 402616180 /nfs/dbraw/zinc/61/61/80/402616180.db2.gz KYJXXNWXIAWXRX-HNNXBMFYSA-N 1 3 302.422 2.174 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)C1 ZINC000252538325 402658398 /nfs/dbraw/zinc/65/83/98/402658398.db2.gz GWWCVWWXVQATRP-BRWVUGGUSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000192101397 402711381 /nfs/dbraw/zinc/71/13/81/402711381.db2.gz QEEHHNOHZMKQNO-GHMZBOCLSA-N 1 3 313.829 2.202 20 0 DEADHO C(N1C[C@@H]2CCC[C@H]2C1)C1(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)COC1 ZINC000182227487 402673933 /nfs/dbraw/zinc/67/39/33/402673933.db2.gz BZCPIWCMEAQCEX-XLAORIBOSA-N 1 3 304.478 2.467 20 0 DEADHO C(N1C[C@@H]2CCC[C@H]2C1)C1(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)COC1 ZINC000182227487 402673935 /nfs/dbraw/zinc/67/39/35/402673935.db2.gz BZCPIWCMEAQCEX-XLAORIBOSA-N 1 3 304.478 2.467 20 0 DEADHO C(N1C[C@@H]2CCC[C@@H]2C1)C1(C[NH+]2C[C@@H]3CCC[C@H]3C2)COC1 ZINC000182227487 402673937 /nfs/dbraw/zinc/67/39/37/402673937.db2.gz BZCPIWCMEAQCEX-XLAORIBOSA-N 1 3 304.478 2.467 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000263001505 402740243 /nfs/dbraw/zinc/74/02/43/402740243.db2.gz PWHHETBPQVXUHB-PELKAZGASA-N 1 3 303.328 2.476 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCCN2CC)C1 ZINC000174840899 402759665 /nfs/dbraw/zinc/75/96/65/402759665.db2.gz QSNIXWZVQNSWMG-IRXDYDNUSA-N 1 3 324.513 2.234 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCCN2CC)C1 ZINC000174840899 402759668 /nfs/dbraw/zinc/75/96/68/402759668.db2.gz QSNIXWZVQNSWMG-IRXDYDNUSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H](C(=O)N1CCC(C[NH+](C)C)CC1)[C@@H](N)c1ccccc1 ZINC000262141559 402722405 /nfs/dbraw/zinc/72/24/05/402722405.db2.gz MLEKNTSDNVIWOR-RHSMWYFYSA-N 1 3 303.450 2.123 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)N(C)C)cc1 ZINC000262297200 402724100 /nfs/dbraw/zinc/72/41/00/402724100.db2.gz PCXXZLJCECJMTA-BZSNNMDCSA-N 1 3 317.477 2.485 20 0 DEADHO CCC[N@H+](CC)CCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000175162185 402784464 /nfs/dbraw/zinc/78/44/64/402784464.db2.gz BQDDEMQXEDQHCZ-KRWDZBQOSA-N 1 3 320.481 2.320 20 0 DEADHO CCC[N@@H+](CC)CCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000175162185 402784467 /nfs/dbraw/zinc/78/44/67/402784467.db2.gz BQDDEMQXEDQHCZ-KRWDZBQOSA-N 1 3 320.481 2.320 20 0 DEADHO C[NH+](C)C/C=C/C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000265672153 402939258 /nfs/dbraw/zinc/93/92/58/402939258.db2.gz UAJZEGXVOPJRAM-HCWHUNCVSA-N 1 3 315.461 2.275 20 0 DEADHO COC(=O)COc1ccccc1[C@H](C)NCC1=CC[N@H+](C)CC1 ZINC000273324142 402994060 /nfs/dbraw/zinc/99/40/60/402994060.db2.gz HPNMSSUXGOFPDV-AWEZNQCLSA-N 1 3 318.417 2.151 20 0 DEADHO COC(=O)COc1ccccc1[C@H](C)NCC1=CC[N@@H+](C)CC1 ZINC000273324142 402994062 /nfs/dbraw/zinc/99/40/62/402994062.db2.gz HPNMSSUXGOFPDV-AWEZNQCLSA-N 1 3 318.417 2.151 20 0 DEADHO C[C@@H](CC(N)=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000267240737 403028281 /nfs/dbraw/zinc/02/82/81/403028281.db2.gz MOSGUUXSULPDQK-CABCVRRESA-N 1 3 303.450 2.272 20 0 DEADHO C[C@@H](CC(N)=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000267240737 403028282 /nfs/dbraw/zinc/02/82/82/403028282.db2.gz MOSGUUXSULPDQK-CABCVRRESA-N 1 3 303.450 2.272 20 0 DEADHO COc1cccc(CNCC2(O)CC[NH+](C(C)C)CC2)c1OC ZINC000268417103 403081169 /nfs/dbraw/zinc/08/11/69/403081169.db2.gz JZSKIRNZLWIPRC-UHFFFAOYSA-N 1 3 322.449 2.029 20 0 DEADHO COCC[NH+]1CCC(NCc2ccc(C(C)(C)O)cc2)CC1 ZINC000274731794 403082749 /nfs/dbraw/zinc/08/27/49/403082749.db2.gz CDPBSQWXDGVZKU-UHFFFAOYSA-N 1 3 306.450 2.114 20 0 DEADHO COCCC[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(F)cc1 ZINC000282013677 403113520 /nfs/dbraw/zinc/11/35/20/403113520.db2.gz RNHSKYGCUYYQJM-QZTJIDSGSA-N 1 3 324.440 2.340 20 0 DEADHO C[C@@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)CC[C@H]1[NH3+] ZINC000269287246 403128214 /nfs/dbraw/zinc/12/82/14/403128214.db2.gz SQCWOUKJVDKPMW-RHSMWYFYSA-N 1 3 301.434 2.092 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000292161121 403309201 /nfs/dbraw/zinc/30/92/01/403309201.db2.gz VBDXPZVKMDZRMH-DLBZAZTESA-N 1 3 303.450 2.246 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000342699176 403312931 /nfs/dbraw/zinc/31/29/31/403312931.db2.gz VKLDPJISYWXDNO-CGTJXYLNSA-N 1 3 315.461 2.155 20 0 DEADHO OC[C@H](Cc1ccccc1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298065657 403313434 /nfs/dbraw/zinc/31/34/34/403313434.db2.gz KOEDJLADGWHVSU-SFHVURJKSA-N 1 3 311.429 2.244 20 0 DEADHO C[C@@H]1CN(CCC2CC[NH+](C[C@H]3CCCO3)CC2)C[C@H](C)O1 ZINC000339015566 403322093 /nfs/dbraw/zinc/32/20/93/403322093.db2.gz ZQPGTOHHDODRIJ-SOLBZPMBSA-N 1 3 310.482 2.377 20 0 DEADHO C[C@H]([NH2+]CC1=CCN(C)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000292210059 403322295 /nfs/dbraw/zinc/32/22/95/403322295.db2.gz QBINFORRYTWOFL-AWEZNQCLSA-N 1 3 301.434 2.301 20 0 DEADHO CC(C)[C@@H](CNC(=O)C12CCCN1CCC2)[NH+]1CCC(C)CC1 ZINC000339435145 403383536 /nfs/dbraw/zinc/38/35/36/403383536.db2.gz WZXVVEWFIKYIOO-QGZVFWFLSA-N 1 3 321.509 2.488 20 0 DEADHO C[N@@H+]1CCC[C@]2(CCN(C[C@@H](O)CCc3ccccc3)C2)C1 ZINC000293117434 403392341 /nfs/dbraw/zinc/39/23/41/403392341.db2.gz YYFCRQSRCNIBKM-OALUTQOASA-N 1 3 302.462 2.398 20 0 DEADHO C[N@H+]1CCC[C@]2(CCN(C[C@@H](O)CCc3ccccc3)C2)C1 ZINC000293117434 403392342 /nfs/dbraw/zinc/39/23/42/403392342.db2.gz YYFCRQSRCNIBKM-OALUTQOASA-N 1 3 302.462 2.398 20 0 DEADHO CN(C(=O)CCN1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000293125525 403394359 /nfs/dbraw/zinc/39/43/59/403394359.db2.gz ZKLTVUZKLBTDFJ-LJQANCHMSA-N 1 3 315.461 2.457 20 0 DEADHO CN(C(=O)CCN1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccccc1 ZINC000293125525 403394362 /nfs/dbraw/zinc/39/43/62/403394362.db2.gz ZKLTVUZKLBTDFJ-LJQANCHMSA-N 1 3 315.461 2.457 20 0 DEADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1cccc(N2CCOC2=O)c1 ZINC000293232010 403421832 /nfs/dbraw/zinc/42/18/32/403421832.db2.gz AXJJWIJBMSKFLT-UONOGXRCSA-N 1 3 305.422 2.492 20 0 DEADHO CC[NH+](CC)CCNC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000298863122 403476216 /nfs/dbraw/zinc/47/62/16/403476216.db2.gz GQIOUTCZXRZPFC-UHFFFAOYSA-N 1 3 324.469 2.003 20 0 DEADHO CN(C)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000345876932 403517910 /nfs/dbraw/zinc/51/79/10/403517910.db2.gz BIGVPZPSZFROTA-SJORKVTESA-N 1 3 301.434 2.105 20 0 DEADHO CN(C)Cc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000345876932 403517912 /nfs/dbraw/zinc/51/79/12/403517912.db2.gz BIGVPZPSZFROTA-SJORKVTESA-N 1 3 301.434 2.105 20 0 DEADHO C[N@H+](Cc1ccccc1)CC(C)(C)CNC[C@H]1COCCO1 ZINC000343426892 403585513 /nfs/dbraw/zinc/58/55/13/403585513.db2.gz JRTVAHAQCBPYMV-KRWDZBQOSA-N 1 3 306.450 2.150 20 0 DEADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNC[C@H]1COCCO1 ZINC000343426892 403585515 /nfs/dbraw/zinc/58/55/15/403585515.db2.gz JRTVAHAQCBPYMV-KRWDZBQOSA-N 1 3 306.450 2.150 20 0 DEADHO CC[C@@H](C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2)N(CC)CC ZINC000343435767 403588869 /nfs/dbraw/zinc/58/88/69/403588869.db2.gz KSJCLBOUTPGKOM-PWSUYJOCSA-N 1 3 310.467 2.018 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000346691055 403597942 /nfs/dbraw/zinc/59/79/42/403597942.db2.gz UYANBDBXKGPIEG-HOTGVXAUSA-N 1 3 307.482 2.336 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000346691055 403597948 /nfs/dbraw/zinc/59/79/48/403597948.db2.gz UYANBDBXKGPIEG-HOTGVXAUSA-N 1 3 307.482 2.336 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000566967817 292280153 /nfs/dbraw/zinc/28/01/53/292280153.db2.gz JXMZECFGPRMPSC-TUKIKUTGSA-N 1 3 314.376 2.172 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCc1ccc(OC(F)F)cc1 ZINC000566967817 292280154 /nfs/dbraw/zinc/28/01/54/292280154.db2.gz JXMZECFGPRMPSC-TUKIKUTGSA-N 1 3 314.376 2.172 20 0 DEADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H](C)C(C)(C)n2cncn2)C1 ZINC000340534112 403639336 /nfs/dbraw/zinc/63/93/36/403639336.db2.gz JPDWEBAJLHIYHK-JKSUJKDBSA-N 1 3 307.486 2.359 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@@H](C)C(C)(C)n2cncn2)C1 ZINC000340534112 403639339 /nfs/dbraw/zinc/63/93/39/403639339.db2.gz JPDWEBAJLHIYHK-JKSUJKDBSA-N 1 3 307.486 2.359 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](CN[C@@H](C)C(C)(C)n2cncn2)C1 ZINC000340534112 403639343 /nfs/dbraw/zinc/63/93/43/403639343.db2.gz JPDWEBAJLHIYHK-JKSUJKDBSA-N 1 3 307.486 2.359 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)CCN1C ZINC000340857139 403676374 /nfs/dbraw/zinc/67/63/74/403676374.db2.gz FZYVSBBIXCJFNJ-HUUCEWRRSA-N 1 3 310.486 2.033 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000340957160 403712853 /nfs/dbraw/zinc/71/28/53/403712853.db2.gz AYZAJVZKPRBZNE-DLBZAZTESA-N 1 3 324.513 2.280 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000340957163 403713059 /nfs/dbraw/zinc/71/30/59/403713059.db2.gz AYZAJVZKPRBZNE-IAGOWNOFSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000343804590 403741244 /nfs/dbraw/zinc/74/12/44/403741244.db2.gz XJUOWYLJUOTQJA-SZMVWBNQSA-N 1 3 315.461 2.107 20 0 DEADHO CCC[NH+](CCC)CCCC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000343821388 403746631 /nfs/dbraw/zinc/74/66/31/403746631.db2.gz GALMUALZQSIABM-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCCN(C)[C@H]2C)C1 ZINC000343877274 403772519 /nfs/dbraw/zinc/77/25/19/403772519.db2.gz OOKXRFRZTQIUMS-PMPSAXMXSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CCCN(C)[C@H]2C)C1 ZINC000343877274 403772522 /nfs/dbraw/zinc/77/25/22/403772522.db2.gz OOKXRFRZTQIUMS-PMPSAXMXSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@H]1[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)CCCN1C ZINC000343835690 403752350 /nfs/dbraw/zinc/75/23/50/403752350.db2.gz CZWXMWNCBVWUGY-IRXDYDNUSA-N 1 3 324.513 2.425 20 0 DEADHO C[C@H]1C[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)CCN1C ZINC000341208412 403834425 /nfs/dbraw/zinc/83/44/25/403834425.db2.gz USLKQFAWHDGPAI-GOEBONIOSA-N 1 3 310.486 2.081 20 0 DEADHO C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CCN(C2CC2)C1 ZINC000295294626 403837251 /nfs/dbraw/zinc/83/72/51/403837251.db2.gz IWOMJRWUQZCGLE-HNNXBMFYSA-N 1 3 315.461 2.305 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000344032881 403863378 /nfs/dbraw/zinc/86/33/78/403863378.db2.gz FBCDNDFVPDSHKG-HNNXBMFYSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1cc(N2CCC(N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)n[nH]1 ZINC000333810260 403869894 /nfs/dbraw/zinc/86/98/94/403869894.db2.gz JCFQEGHPBYPFRH-YESZJQIVSA-N 1 3 317.481 2.197 20 0 DEADHO COCC1CCC([NH2+]Cc2ccnc(OCCN(C)C)c2)CC1 ZINC000295342243 403870178 /nfs/dbraw/zinc/87/01/78/403870178.db2.gz HZBVWHNFLOVUCE-UHFFFAOYSA-N 1 3 321.465 2.317 20 0 DEADHO COC(=O)C(C)(C)CC[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000354554578 403875278 /nfs/dbraw/zinc/87/52/78/403875278.db2.gz YZJUPEBUDOMCSM-UHFFFAOYSA-N 1 3 319.449 2.477 20 0 DEADHO CN(C)CCN(C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCCC1 ZINC000344144038 403937588 /nfs/dbraw/zinc/93/75/88/403937588.db2.gz VTMIHFSDHRXFGH-IRXDYDNUSA-N 1 3 322.497 2.129 20 0 DEADHO CN(C)CCN(C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)C1CCCC1 ZINC000344144038 403937595 /nfs/dbraw/zinc/93/75/95/403937595.db2.gz VTMIHFSDHRXFGH-IRXDYDNUSA-N 1 3 322.497 2.129 20 0 DEADHO CO[C@@H]1C[C@@H](CO)N(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411709404 403946818 /nfs/dbraw/zinc/94/68/18/403946818.db2.gz RMUXDYBNXJGOTD-RBUKOAKNSA-N 1 3 318.461 2.254 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnccc1C ZINC000289414609 403951994 /nfs/dbraw/zinc/95/19/94/403951994.db2.gz IHFYRYQSDRBCEN-SFHVURJKSA-N 1 3 304.482 2.238 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnccc1C ZINC000289414609 403951995 /nfs/dbraw/zinc/95/19/95/403951995.db2.gz IHFYRYQSDRBCEN-SFHVURJKSA-N 1 3 304.482 2.238 20 0 DEADHO C[C@@H](CNC(=O)NCCN1CCC(C)CC1)[N@@H+]1CCCC[C@H]1C ZINC000337367183 403983133 /nfs/dbraw/zinc/98/31/33/403983133.db2.gz MLSHDACAIQCQIW-SJORKVTESA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H](CNC(=O)NCCN1CCC(C)CC1)[N@H+]1CCCC[C@H]1C ZINC000337367183 403983140 /nfs/dbraw/zinc/98/31/40/403983140.db2.gz MLSHDACAIQCQIW-SJORKVTESA-N 1 3 324.513 2.280 20 0 DEADHO O[C@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)COc1ccc(Cl)cc1 ZINC000314576169 403998720 /nfs/dbraw/zinc/99/87/20/403998720.db2.gz OTVWSNMQRALFLD-XJKSGUPXSA-N 1 3 324.852 2.154 20 0 DEADHO O[C@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)COc1ccc(Cl)cc1 ZINC000314576169 403998723 /nfs/dbraw/zinc/99/87/23/403998723.db2.gz OTVWSNMQRALFLD-XJKSGUPXSA-N 1 3 324.852 2.154 20 0 DEADHO O[C@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)COc1ccc(Cl)cc1 ZINC000314576169 403998726 /nfs/dbraw/zinc/99/87/26/403998726.db2.gz OTVWSNMQRALFLD-XJKSGUPXSA-N 1 3 324.852 2.154 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C)C(C)C ZINC000341659079 404094357 /nfs/dbraw/zinc/09/43/57/404094357.db2.gz ZXEPTRRZKOAQQN-WBVHZDCISA-N 1 3 324.513 2.277 20 0 DEADHO COCCC[C@H](C)NCc1ccncc1OCCC[NH+](C)C ZINC000290169483 404068830 /nfs/dbraw/zinc/06/88/30/404068830.db2.gz DQZRWJXQYCEAGX-HNNXBMFYSA-N 1 3 309.454 2.317 20 0 DEADHO CCC[N@@H+]1CC[C@H](CN[C@H]2COc3ccc(OC)cc3C2)C1 ZINC000296126281 404105782 /nfs/dbraw/zinc/10/57/82/404105782.db2.gz VNVHXDGZAMUHMX-GDBMZVCRSA-N 1 3 304.434 2.320 20 0 DEADHO CCC[N@H+]1CC[C@H](CN[C@H]2COc3ccc(OC)cc3C2)C1 ZINC000296126281 404105789 /nfs/dbraw/zinc/10/57/89/404105789.db2.gz VNVHXDGZAMUHMX-GDBMZVCRSA-N 1 3 304.434 2.320 20 0 DEADHO CCCN1CC[C@H](C[NH2+][C@H]2COc3ccc(OC)cc3C2)C1 ZINC000296126281 404105795 /nfs/dbraw/zinc/10/57/95/404105795.db2.gz VNVHXDGZAMUHMX-GDBMZVCRSA-N 1 3 304.434 2.320 20 0 DEADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000349631118 404170681 /nfs/dbraw/zinc/17/06/81/404170681.db2.gz NZHAYAMXSORGMV-HOTGVXAUSA-N 1 3 312.502 2.233 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000296412575 404236683 /nfs/dbraw/zinc/23/66/83/404236683.db2.gz MAXYLLLQJULVHY-MRXNPFEDSA-N 1 3 317.477 2.198 20 0 DEADHO C[C@@H](CC(N)=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000341901501 404243814 /nfs/dbraw/zinc/24/38/14/404243814.db2.gz SIHPMYAZEQRNPA-HNNXBMFYSA-N 1 3 303.450 2.416 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCC1(C)CC1 ZINC000350059045 404308183 /nfs/dbraw/zinc/30/81/83/404308183.db2.gz IFCOEYHIZVPQDE-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCC1(C)CC1 ZINC000350059045 404308190 /nfs/dbraw/zinc/30/81/90/404308190.db2.gz IFCOEYHIZVPQDE-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO COCCOCc1ccc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000342183196 404427273 /nfs/dbraw/zinc/42/72/73/404427273.db2.gz BEURJKTUIIKKFR-MAUKXSAKSA-N 1 3 306.450 2.279 20 0 DEADHO COCCOCc1ccc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000342183196 404427280 /nfs/dbraw/zinc/42/72/80/404427280.db2.gz BEURJKTUIIKKFR-MAUKXSAKSA-N 1 3 306.450 2.279 20 0 DEADHO COc1cccc(NC(=O)CCN2CCCC[C@@H]2CC[NH3+])c1 ZINC000352477075 404399149 /nfs/dbraw/zinc/39/91/49/404399149.db2.gz KAMDKIPTHXTRFC-OAHLLOKOSA-N 1 3 305.422 2.227 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)[C@H]2CCCCC[NH2+]2)cc1 ZINC000364468560 404409852 /nfs/dbraw/zinc/40/98/52/404409852.db2.gz RBIBWJGEYISUOO-DLBZAZTESA-N 1 3 303.450 2.458 20 0 DEADHO C[C@@H](NC[C@H](O)COCc1cccs1)C(C)(C)C[NH+](C)C ZINC000567464218 292315295 /nfs/dbraw/zinc/31/52/95/292315295.db2.gz KCZFDBHCKRMLAE-KGLIPLIRSA-N 1 3 314.495 2.192 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2cnc(N(C)C)n2C)C1 ZINC000414292635 404567378 /nfs/dbraw/zinc/56/73/78/404567378.db2.gz UYKLCYMUOBGPHT-HZPDHXFCSA-N 1 3 321.513 2.334 20 0 DEADHO CC(C)[C@@H](CN1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000352718533 404571454 /nfs/dbraw/zinc/57/14/54/404571454.db2.gz LBJODPRNGKZJNC-RTBURBONSA-N 1 3 301.478 2.406 20 0 DEADHO CC(C)[C@@H](CN1CCN([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000352718532 404571855 /nfs/dbraw/zinc/57/18/55/404571855.db2.gz LBJODPRNGKZJNC-RBUKOAKNSA-N 1 3 301.478 2.406 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000291907943 404575095 /nfs/dbraw/zinc/57/50/95/404575095.db2.gz QICMGMGHTYYZPK-GOSISDBHSA-N 1 3 316.449 2.308 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000291907943 404575103 /nfs/dbraw/zinc/57/51/03/404575103.db2.gz QICMGMGHTYYZPK-GOSISDBHSA-N 1 3 316.449 2.308 20 0 DEADHO CN1CC[C@@]2(CC[N@H+](CCc3nc(-c4ccccc4)no3)C2)C1 ZINC000292043772 404642006 /nfs/dbraw/zinc/64/20/06/404642006.db2.gz ATOOOXYNLVKXRP-GOSISDBHSA-N 1 3 312.417 2.307 20 0 DEADHO CN1CC[C@@]2(CC[N@@H+](CCc3nc(-c4ccccc4)no3)C2)C1 ZINC000292043772 404642009 /nfs/dbraw/zinc/64/20/09/404642009.db2.gz ATOOOXYNLVKXRP-GOSISDBHSA-N 1 3 312.417 2.307 20 0 DEADHO CN1CCC(C[NH2+]C2CC(C(C)(C)C)C2)(N2CCOCC2)CC1 ZINC000414485122 404650821 /nfs/dbraw/zinc/65/08/21/404650821.db2.gz OXRGXUAOZVKHKI-UHFFFAOYSA-N 1 3 323.525 2.197 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CC=CC[C@@H]1C ZINC000342570371 404656022 /nfs/dbraw/zinc/65/60/22/404656022.db2.gz AZFWDFWHBKPYAF-RCCFBDPRSA-N 1 3 321.509 2.463 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CC=CC[C@@H]1C ZINC000342570371 404656027 /nfs/dbraw/zinc/65/60/27/404656027.db2.gz AZFWDFWHBKPYAF-RCCFBDPRSA-N 1 3 321.509 2.463 20 0 DEADHO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC(C[NH+](C)C)CC1 ZINC000356569506 404597083 /nfs/dbraw/zinc/59/70/83/404597083.db2.gz MQPIHXTYWNSLGJ-OWCLPIDISA-N 1 3 309.498 2.438 20 0 DEADHO C[C@@H](C(=O)N(C)C1CCCCC1)N1CCC(C[NH+](C)C)CC1 ZINC000356608362 404619411 /nfs/dbraw/zinc/61/94/11/404619411.db2.gz UPKGSKCGHQDJOM-HNNXBMFYSA-N 1 3 309.498 2.440 20 0 DEADHO O=C(c1cccc(CN2CCCC2)c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000365358439 404631606 /nfs/dbraw/zinc/63/16/06/404631606.db2.gz OKOXLQBVZZJIQX-WMZOPIPTSA-N 1 3 313.445 2.106 20 0 DEADHO OCC1([NH2+][C@H]2CCN3CCC[C@H]3C2)C2CC3CC(C2)CC1C3 ZINC000414560751 404680515 /nfs/dbraw/zinc/68/05/15/404680515.db2.gz RKBDVFGNTFPIQX-AVGKFFPGSA-N 1 3 304.478 2.390 20 0 DEADHO CCc1cccnc1[C@H](C)NCCN1CCC([NH+](C)C)CC1 ZINC000356840655 404705156 /nfs/dbraw/zinc/70/51/56/404705156.db2.gz JQJIHGMKMGFWJL-HNNXBMFYSA-N 1 3 304.482 2.321 20 0 DEADHO CC[C@H](C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000374159905 404700241 /nfs/dbraw/zinc/70/02/41/404700241.db2.gz GUHYDPIAFDDJAE-IEBWSBKVSA-N 1 3 317.477 2.355 20 0 DEADHO CC[C@H](C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000374159905 404700243 /nfs/dbraw/zinc/70/02/43/404700243.db2.gz GUHYDPIAFDDJAE-IEBWSBKVSA-N 1 3 317.477 2.355 20 0 DEADHO CCN(CC)c1ncc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)s1 ZINC000414774617 404730493 /nfs/dbraw/zinc/73/04/93/404730493.db2.gz YPWAICMUHWKPDS-OKILXGFUSA-N 1 3 308.495 2.421 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1NCCc2ccccc21)[NH+](CC)CC ZINC000357236436 404731412 /nfs/dbraw/zinc/73/14/12/404731412.db2.gz CZEDWCBTMUYJLK-IRXDYDNUSA-N 1 3 303.450 2.110 20 0 DEADHO COc1cc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)ccc1C ZINC000414776307 404731666 /nfs/dbraw/zinc/73/16/66/404731666.db2.gz NERCNPILIQHTEM-AEFFLSMTSA-N 1 3 304.434 2.332 20 0 DEADHO COc1ccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1OC ZINC000414791811 404737101 /nfs/dbraw/zinc/73/71/01/404737101.db2.gz REUGKQBJVDQNNL-QAPCUYQASA-N 1 3 320.433 2.032 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353117115 404746007 /nfs/dbraw/zinc/74/60/07/404746007.db2.gz ZTJLKIQCVRRHLB-LVYZTWJOSA-N 1 3 322.497 2.127 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353117115 404746008 /nfs/dbraw/zinc/74/60/08/404746008.db2.gz ZTJLKIQCVRRHLB-LVYZTWJOSA-N 1 3 322.497 2.127 20 0 DEADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccccc1CN(C)C ZINC000366081207 404752883 /nfs/dbraw/zinc/75/28/83/404752883.db2.gz AWAPPZXYGXQLSI-NVXWUHKLSA-N 1 3 315.461 2.447 20 0 DEADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1cccc(CN2CCCC2=O)c1 ZINC000358101414 404754121 /nfs/dbraw/zinc/75/41/21/404754121.db2.gz USTPGBIQPQSSBU-CRAIPNDOSA-N 1 3 315.461 2.239 20 0 DEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1cccc(CN2CCCC2=O)c1 ZINC000358101414 404754125 /nfs/dbraw/zinc/75/41/25/404754125.db2.gz USTPGBIQPQSSBU-CRAIPNDOSA-N 1 3 315.461 2.239 20 0 DEADHO CN(C)CCOc1cccc(NC(=O)N(C)CC(C)(C)C[NH3+])c1 ZINC000414884339 404757828 /nfs/dbraw/zinc/75/78/28/404757828.db2.gz NSICJFPIEVIHRR-UHFFFAOYSA-N 1 3 322.453 2.076 20 0 DEADHO CN(C)CCOc1cccc(NC(=O)N[C@H](C[NH3+])C(C)(C)C)c1 ZINC000414892243 404760695 /nfs/dbraw/zinc/76/06/95/404760695.db2.gz WXDFBYSRWZUNTJ-OAHLLOKOSA-N 1 3 322.453 2.122 20 0 DEADHO COc1ccccc1CN1CCN(C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414695133 404710603 /nfs/dbraw/zinc/71/06/03/404710603.db2.gz ODPSKYJNACEGTN-DLBZAZTESA-N 1 3 317.477 2.201 20 0 DEADHO CC[N@H+](CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1)CC1CC1 ZINC000356889615 404717309 /nfs/dbraw/zinc/71/73/09/404717309.db2.gz FMLPBVAIMBUNNT-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+](CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1)CC1CC1 ZINC000356889615 404717312 /nfs/dbraw/zinc/71/73/12/404717312.db2.gz FMLPBVAIMBUNNT-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@]1(COC)CCCN1 ZINC000414936298 404770537 /nfs/dbraw/zinc/77/05/37/404770537.db2.gz BYIFHHHBXTZTRW-MSOLQXFVSA-N 1 3 324.440 2.132 20 0 DEADHO C[C@@H](C(=O)N1CCCCCC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357072676 404727469 /nfs/dbraw/zinc/72/74/69/404727469.db2.gz HNVSOUXOJZFWSU-DOTOQJQBSA-N 1 3 307.482 2.099 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)N[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414959703 404777343 /nfs/dbraw/zinc/77/73/43/404777343.db2.gz XNKZUFGRFXHWHY-IPYPFGDCSA-N 1 3 305.422 2.142 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCN[C@H](C)C2)c1 ZINC000414959703 404777347 /nfs/dbraw/zinc/77/73/47/404777347.db2.gz XNKZUFGRFXHWHY-IPYPFGDCSA-N 1 3 305.422 2.142 20 0 DEADHO Clc1ccc2ncc(CN[C@@H]3C[C@H]3C3CC[NH2+]CC3)n2c1 ZINC000415010233 404787907 /nfs/dbraw/zinc/78/79/07/404787907.db2.gz OUFFPHOBYRMJIG-LSDHHAIUSA-N 1 3 304.825 2.465 20 0 DEADHO Fc1ccc(CN2CCC(N[C@@H]3CCC[NH2+]C3)CC2)cc1F ZINC000415107360 404809139 /nfs/dbraw/zinc/80/91/39/404809139.db2.gz NSTLENYVIBCVCF-OAHLLOKOSA-N 1 3 309.404 2.271 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCCN(C(C)C)CC1 ZINC000359925011 404809763 /nfs/dbraw/zinc/80/97/63/404809763.db2.gz PVKVXGLDVDVVIQ-MRXNPFEDSA-N 1 3 312.502 2.233 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCCN(C(C)C)CC1 ZINC000359925011 404809768 /nfs/dbraw/zinc/80/97/68/404809768.db2.gz PVKVXGLDVDVVIQ-MRXNPFEDSA-N 1 3 312.502 2.233 20 0 DEADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000415120500 404812383 /nfs/dbraw/zinc/81/23/83/404812383.db2.gz GDSVIZCIZQRHAV-PKOBYXMFSA-N 1 3 316.445 2.340 20 0 DEADHO [NH3+]CC1(O)CCN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000415143112 404818693 /nfs/dbraw/zinc/81/86/93/404818693.db2.gz RKVYIGQQHMTBOH-UHFFFAOYSA-N 1 3 320.824 2.016 20 0 DEADHO C[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCCCCC1 ZINC000360126695 404819259 /nfs/dbraw/zinc/81/92/59/404819259.db2.gz VNAGACYENSHIOV-HOTGVXAUSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@@H](C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)N1CCCCCC1 ZINC000360126695 404819261 /nfs/dbraw/zinc/81/92/61/404819261.db2.gz VNAGACYENSHIOV-HOTGVXAUSA-N 1 3 307.482 2.384 20 0 DEADHO CC(C)SCC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000366975888 404887791 /nfs/dbraw/zinc/88/77/91/404887791.db2.gz MZWQPYCPJQNDBJ-UHFFFAOYSA-N 1 3 313.555 2.478 20 0 DEADHO CCn1cc(CCN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000367017219 404899162 /nfs/dbraw/zinc/89/91/62/404899162.db2.gz VERCEYUKMNLMHB-AEFFLSMTSA-N 1 3 302.466 2.394 20 0 DEADHO CCn1cc(CCN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000367017219 404899165 /nfs/dbraw/zinc/89/91/65/404899165.db2.gz VERCEYUKMNLMHB-AEFFLSMTSA-N 1 3 302.466 2.394 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000366897701 404866128 /nfs/dbraw/zinc/86/61/28/404866128.db2.gz RXHGGPNWZKZRJD-LJQANCHMSA-N 1 3 317.477 2.355 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000366897701 404866129 /nfs/dbraw/zinc/86/61/29/404866129.db2.gz RXHGGPNWZKZRJD-LJQANCHMSA-N 1 3 317.477 2.355 20 0 DEADHO CN1CCCN(CCC[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000361164435 404953818 /nfs/dbraw/zinc/95/38/18/404953818.db2.gz QPHJLHWOWFMADQ-GOSISDBHSA-N 1 3 321.896 2.424 20 0 DEADHO C[NH2+]CCCN(C)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000424016676 404971889 /nfs/dbraw/zinc/97/18/89/404971889.db2.gz DBPLLWMQUFNCKE-INIZCTEOSA-N 1 3 321.440 2.106 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)NCCC[C@H]2CCC[NH2+]2)cc1 ZINC000416895568 404954739 /nfs/dbraw/zinc/95/47/39/404954739.db2.gz UKWTUYLLBQOUKY-QGZVFWFLSA-N 1 3 318.465 2.080 20 0 DEADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000361174196 404958465 /nfs/dbraw/zinc/95/84/65/404958465.db2.gz UTARDVHHINNXJJ-APWZRJJASA-N 1 3 319.493 2.099 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000415882315 404960146 /nfs/dbraw/zinc/96/01/46/404960146.db2.gz KNJIVNCCQXBPTO-QGZVFWFLSA-N 1 3 316.449 2.280 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000361082924 404909454 /nfs/dbraw/zinc/90/94/54/404909454.db2.gz WUFLZQKZVUSXGL-HNAYVOBHSA-N 1 3 317.477 2.385 20 0 DEADHO C[C@@H]1CC[C@@H]([NH2+]CC(=O)NCCN2CCCCCC2)C[C@H]1C ZINC000353669116 404910899 /nfs/dbraw/zinc/91/08/99/404910899.db2.gz BMKFWTOSDYKJPY-BRWVUGGUSA-N 1 3 309.498 2.393 20 0 DEADHO CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCCN(C)[C@H]2C)c1 ZINC000415911961 404969758 /nfs/dbraw/zinc/96/97/58/404969758.db2.gz FLJONFIQFFSMAZ-XJKSGUPXSA-N 1 3 304.438 2.400 20 0 DEADHO C[NH+](C)C1(CNC(=O)NC[C@H](N)c2ccccc2)CCCCC1 ZINC000416831357 404926366 /nfs/dbraw/zinc/92/63/66/404926366.db2.gz VJZRTXUHNNIVEO-INIZCTEOSA-N 1 3 318.465 2.250 20 0 DEADHO C[NH+](C)C1(CNC(=O)NC[C@@H](N)c2ccccc2)CCCCC1 ZINC000416831358 404926912 /nfs/dbraw/zinc/92/69/12/404926912.db2.gz VJZRTXUHNNIVEO-MRXNPFEDSA-N 1 3 318.465 2.250 20 0 DEADHO CC(C)(N)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423916649 404928546 /nfs/dbraw/zinc/92/85/46/404928546.db2.gz ZETKVZRXSMHXLH-IAGOWNOFSA-N 1 3 315.461 2.237 20 0 DEADHO CC(C)(N)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423916649 404928550 /nfs/dbraw/zinc/92/85/50/404928550.db2.gz ZETKVZRXSMHXLH-IAGOWNOFSA-N 1 3 315.461 2.237 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H](C)C[NH2+]C)c1ccccc1 ZINC000416842471 404931874 /nfs/dbraw/zinc/93/18/74/404931874.db2.gz NHCSAMNPYYLROM-RDJZCZTQSA-N 1 3 320.481 2.224 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N[C@@H](C)CC[NH3+])c1ccccc1 ZINC000416848888 404933873 /nfs/dbraw/zinc/93/38/73/404933873.db2.gz XHWNNWYUMJFGBJ-HOCLYGCPSA-N 1 3 306.454 2.106 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N[C@H](C)CCC[NH3+])c1ccccc1 ZINC000416849898 404935914 /nfs/dbraw/zinc/93/59/14/404935914.db2.gz YQIARCQTAATGAC-NVXWUHKLSA-N 1 3 320.481 2.496 20 0 DEADHO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCCNCC2)cc1 ZINC000416891003 404952026 /nfs/dbraw/zinc/95/20/26/404952026.db2.gz UJRPPFOFOSATCZ-UHFFFAOYSA-N 1 3 318.465 2.033 20 0 DEADHO O=C(Nc1ccc2c(c1)CNC2)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000415999474 405002796 /nfs/dbraw/zinc/00/27/96/405002796.db2.gz VLZWEIOLCJAORZ-QGZVFWFLSA-N 1 3 314.433 2.382 20 0 DEADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000367308295 405006345 /nfs/dbraw/zinc/00/63/45/405006345.db2.gz CIMGDRZUVKJBOL-CVEARBPZSA-N 1 3 316.449 2.216 20 0 DEADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000367308295 405006347 /nfs/dbraw/zinc/00/63/47/405006347.db2.gz CIMGDRZUVKJBOL-CVEARBPZSA-N 1 3 316.449 2.216 20 0 DEADHO C[C@H](CN(C)C)NC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000354021565 405007300 /nfs/dbraw/zinc/00/73/00/405007300.db2.gz YGIXSIIGUXDAPN-HZPDHXFCSA-N 1 3 320.481 2.146 20 0 DEADHO C[C@H](CN(C)C)NC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000354021565 405007304 /nfs/dbraw/zinc/00/73/04/405007304.db2.gz YGIXSIIGUXDAPN-HZPDHXFCSA-N 1 3 320.481 2.146 20 0 DEADHO CC(C)n1cncc1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000424145315 405021596 /nfs/dbraw/zinc/02/15/96/405021596.db2.gz NEWMUJHWJVNALP-IYBDPMFKSA-N 1 3 308.470 2.443 20 0 DEADHO C[C@@H]1CCN(C(=O)NCc2cccc(CN(C)C)c2)[C@@H](C[NH3+])C1 ZINC000417068124 405024506 /nfs/dbraw/zinc/02/45/06/405024506.db2.gz MZSGPQQCBYAEFM-RHSMWYFYSA-N 1 3 318.465 2.017 20 0 DEADHO C[C@H]([NH2+]C[C@@H](O)CN1CCC(C)CC1)c1ccc2c(c1)COC2 ZINC000361344285 405031931 /nfs/dbraw/zinc/03/19/31/405031931.db2.gz CVEFFWFKJUIKDX-HNAYVOBHSA-N 1 3 318.461 2.460 20 0 DEADHO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(CNC)c2)C1 ZINC000415949426 404982098 /nfs/dbraw/zinc/98/20/98/404982098.db2.gz ZMOOEKAJXOBODT-OAHLLOKOSA-N 1 3 304.438 2.212 20 0 DEADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(CNC)c2)C1 ZINC000415949426 404982102 /nfs/dbraw/zinc/98/21/02/404982102.db2.gz ZMOOEKAJXOBODT-OAHLLOKOSA-N 1 3 304.438 2.212 20 0 DEADHO [NH3+][C@@H](CCC(=O)N[C@@H]1CNCCC1(F)F)CC1CCCCC1 ZINC000424192879 405035820 /nfs/dbraw/zinc/03/58/20/405035820.db2.gz PYPRATXYQBQZLS-UONOGXRCSA-N 1 3 317.424 2.178 20 0 DEADHO CCCN1CCC([NH2+][C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000361240309 404987870 /nfs/dbraw/zinc/98/78/70/404987870.db2.gz ICXSGHHWHGEFAI-SFHVURJKSA-N 1 3 315.461 2.252 20 0 DEADHO C[NH2+]Cc1ccc(NC(=O)N(C)C[C@@H]2CCCN(C)C2)cc1 ZINC000415973178 404990069 /nfs/dbraw/zinc/99/00/69/404990069.db2.gz NXOJADIMARWTDT-OAHLLOKOSA-N 1 3 304.438 2.212 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N[C@@H](C)CC[NH3+])c1ccsc1 ZINC000416998700 404991871 /nfs/dbraw/zinc/99/18/71/404991871.db2.gz BIRSTQYGXYLMBB-JSGCOSHPSA-N 1 3 312.483 2.168 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N1C[C@@H](C)[C@H]([NH3+])C1)c1ccsc1 ZINC000417005622 404996121 /nfs/dbraw/zinc/99/61/21/404996121.db2.gz JDZQXDXTOOLTKY-BPLDGKMQSA-N 1 3 324.494 2.120 20 0 DEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc3c(c2)CNC3)[C@@H](C)C1 ZINC000415986075 404996450 /nfs/dbraw/zinc/99/64/50/404996450.db2.gz AQDGNNOIUWQTHZ-SUMWQHHRSA-N 1 3 316.449 2.484 20 0 DEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc3c(c2)CNC3)[C@@H](C)C1 ZINC000415986075 404996456 /nfs/dbraw/zinc/99/64/56/404996456.db2.gz AQDGNNOIUWQTHZ-SUMWQHHRSA-N 1 3 316.449 2.484 20 0 DEADHO CN(CCC(=O)N1CCc2sccc2C1)[C@H]1CCC[NH2+]CC1 ZINC000435622289 404997384 /nfs/dbraw/zinc/99/73/84/404997384.db2.gz QRXQWYBXRTXVQJ-HNNXBMFYSA-N 1 3 321.490 2.097 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N[C@@H](C[NH3+])C1CC1)c1ccsc1 ZINC000417008742 404999080 /nfs/dbraw/zinc/99/90/80/404999080.db2.gz MNQLSGWALKXQEX-GJZGRUSLSA-N 1 3 324.494 2.168 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)N1CCN[C@H](C)C1)c1ccsc1 ZINC000417008635 404999418 /nfs/dbraw/zinc/99/94/18/404999418.db2.gz MFQQUODSATXMKP-UKRRQHHQSA-N 1 3 324.494 2.134 20 0 DEADHO CN(C)C1(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000416305141 405095859 /nfs/dbraw/zinc/09/58/59/405095859.db2.gz WJRKARIMRCKLKL-QGZVFWFLSA-N 1 3 315.461 2.109 20 0 DEADHO CN(C)C1(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000416305141 405095862 /nfs/dbraw/zinc/09/58/62/405095862.db2.gz WJRKARIMRCKLKL-QGZVFWFLSA-N 1 3 315.461 2.109 20 0 DEADHO Cc1ccc(NC(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1C ZINC000389724479 405038886 /nfs/dbraw/zinc/03/88/86/405038886.db2.gz PGVYNMGNXSJCPA-IYBDPMFKSA-N 1 3 301.434 2.173 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424218454 405042376 /nfs/dbraw/zinc/04/23/76/405042376.db2.gz UCQHMFMSEFWTBG-BPQIPLTHSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1([NH3+])CCCCC1 ZINC000389985070 405042546 /nfs/dbraw/zinc/04/25/46/405042546.db2.gz LQNFKRDNIIQQJU-RDJZCZTQSA-N 1 3 315.461 2.285 20 0 DEADHO C[C@H]1CC2(CN1CC(=O)NCC1CCCCC1)CC[NH2+]CC2 ZINC000424290570 405060207 /nfs/dbraw/zinc/06/02/07/405060207.db2.gz MVUDSFVYLOQGHQ-HNNXBMFYSA-N 1 3 307.482 2.147 20 0 DEADHO COC(=O)c1ccccc1CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424295954 405061819 /nfs/dbraw/zinc/06/18/19/405061819.db2.gz RSWKLGCIGVTKRB-CQSZACIVSA-N 1 3 302.418 2.437 20 0 DEADHO C[C@H](C(=O)N1CCCC[C@H]1C[NH+](C)C)[C@@H](N)c1ccccc1 ZINC000404909927 405069315 /nfs/dbraw/zinc/06/93/15/405069315.db2.gz BLLDTIPHKYSGDT-BHYGNILZSA-N 1 3 303.450 2.265 20 0 DEADHO CN(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000436375023 405075284 /nfs/dbraw/zinc/07/52/84/405075284.db2.gz XFEOCVQRMZJGQD-LBPRGKRZSA-N 1 3 311.376 2.177 20 0 DEADHO CN(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000436375023 405075290 /nfs/dbraw/zinc/07/52/90/405075290.db2.gz XFEOCVQRMZJGQD-LBPRGKRZSA-N 1 3 311.376 2.177 20 0 DEADHO COC1(CN2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)CCCC1 ZINC000361558444 405131047 /nfs/dbraw/zinc/13/10/47/405131047.db2.gz WWTGTAHVCUQHLA-QZTJIDSGSA-N 1 3 323.525 2.436 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000418353328 405123658 /nfs/dbraw/zinc/12/36/58/405123658.db2.gz NFEUBAHZGZHGNR-RRQGHBQHSA-N 1 3 318.465 2.236 20 0 DEADHO CN(C)CCN(C(=O)NC[C@H]1CCC[C@H]([NH3+])C1)C1CCCC1 ZINC000418729453 405183915 /nfs/dbraw/zinc/18/39/15/405183915.db2.gz RRHFYLQIZURIRQ-GJZGRUSLSA-N 1 3 310.486 2.020 20 0 DEADHO CC[C@@H]([NH3+])CNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418696423 405170590 /nfs/dbraw/zinc/17/05/90/405170590.db2.gz KSHFEMXOYLPGIS-SJORKVTESA-N 1 3 318.465 2.030 20 0 DEADHO C[C@@H](CCCC[NH3+])NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000418697274 405171675 /nfs/dbraw/zinc/17/16/75/405171675.db2.gz NBGBGECDPZYADB-INIZCTEOSA-N 1 3 320.481 2.277 20 0 DEADHO OCCOCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453068483 405280994 /nfs/dbraw/zinc/28/09/94/405280994.db2.gz AHTVHUXZYCDNAN-QRVBRYPASA-N 1 3 318.461 2.028 20 0 DEADHO OCCOCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453068483 405280998 /nfs/dbraw/zinc/28/09/98/405280998.db2.gz AHTVHUXZYCDNAN-QRVBRYPASA-N 1 3 318.461 2.028 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000438551854 405250192 /nfs/dbraw/zinc/25/01/92/405250192.db2.gz JAZREBFMDYULMD-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000438551854 405250193 /nfs/dbraw/zinc/25/01/93/405250193.db2.gz JAZREBFMDYULMD-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H](CNC(=O)[C@@H]1CCCN1C1CCCC1)C[NH+]1CCCC1 ZINC000438538523 405250357 /nfs/dbraw/zinc/25/03/57/405250357.db2.gz CERYNKUVLAVGHQ-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO CCC[NH+]1CCC(NC(=O)[C@@H]2CCCN2C2CCCC2)CC1 ZINC000438577675 405251490 /nfs/dbraw/zinc/25/14/90/405251490.db2.gz RDQQLTQRUDFFQR-KRWDZBQOSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420306648 405312791 /nfs/dbraw/zinc/31/27/91/405312791.db2.gz QTNVVZFREQTSBQ-XPGWFJOJSA-N 1 3 310.441 2.364 20 0 DEADHO C[C@@H]1Cc2ccccc2C[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420306648 405312793 /nfs/dbraw/zinc/31/27/93/405312793.db2.gz QTNVVZFREQTSBQ-XPGWFJOJSA-N 1 3 310.441 2.364 20 0 DEADHO Clc1cccc(CN2CCN(CC[C@H]3CC[NH2+]C3)CC2)c1 ZINC000420312269 405315317 /nfs/dbraw/zinc/31/53/17/405315317.db2.gz WPMWBXLICCMBMF-OAHLLOKOSA-N 1 3 307.869 2.457 20 0 DEADHO C[C@@H](CNC(=O)NCCCC[N@H+](C)C1CC1)N1CCCC[C@@H]1C ZINC000454251642 405317561 /nfs/dbraw/zinc/31/75/61/405317561.db2.gz COLALXHHSSBWPF-HOTGVXAUSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H](CNC(=O)NCCCC[N@@H+](C)C1CC1)N1CCCC[C@@H]1C ZINC000454251642 405317565 /nfs/dbraw/zinc/31/75/65/405317565.db2.gz COLALXHHSSBWPF-HOTGVXAUSA-N 1 3 324.513 2.423 20 0 DEADHO CC1CCC(N(C)C(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000420333202 405323126 /nfs/dbraw/zinc/32/31/26/405323126.db2.gz FEEAZJLMKODWPR-UMQBVGHOSA-N 1 3 321.509 2.345 20 0 DEADHO CN(C)C(=O)c1cccc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420333085 405323414 /nfs/dbraw/zinc/32/34/14/405323414.db2.gz SKTAORKEALKTHB-MSOLQXFVSA-N 1 3 315.461 2.210 20 0 DEADHO C[C@H](C(=O)NC1CCC(C)CC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420347882 405327872 /nfs/dbraw/zinc/32/78/72/405327872.db2.gz ZSJJIFVSWJMWBK-IZTSSTLKSA-N 1 3 307.482 2.001 20 0 DEADHO CSc1ccc(NC(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420345996 405328145 /nfs/dbraw/zinc/32/81/45/405328145.db2.gz WBXXZYAAWHZRQO-OKILXGFUSA-N 1 3 319.474 2.278 20 0 DEADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420346264 405328178 /nfs/dbraw/zinc/32/81/78/405328178.db2.gz XYETVKZRRPATDR-XLAORIBOSA-N 1 3 321.509 2.488 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](CO)[C@H]2C)CC1 ZINC000425975833 405333217 /nfs/dbraw/zinc/33/32/17/405333217.db2.gz HQLYVYWJKAKFCM-SJLPKXTDSA-N 1 3 317.477 2.031 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@H](CO)[C@H]2C)CC1 ZINC000425975833 405333220 /nfs/dbraw/zinc/33/32/20/405333220.db2.gz HQLYVYWJKAKFCM-SJLPKXTDSA-N 1 3 317.477 2.031 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](CO)[C@@H]2C)CC1 ZINC000425975834 405333417 /nfs/dbraw/zinc/33/34/17/405333417.db2.gz HQLYVYWJKAKFCM-WMZOPIPTSA-N 1 3 317.477 2.031 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](CO)[C@@H]2C)CC1 ZINC000425975834 405333420 /nfs/dbraw/zinc/33/34/20/405333420.db2.gz HQLYVYWJKAKFCM-WMZOPIPTSA-N 1 3 317.477 2.031 20 0 DEADHO Cc1ccc(S(=O)(=O)CCC[NH2+][C@@H]2CCNCC2(C)C)cc1 ZINC000420372516 405335902 /nfs/dbraw/zinc/33/59/02/405335902.db2.gz YAHCEHOJCPJLRT-MRXNPFEDSA-N 1 3 324.490 2.137 20 0 DEADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000442792825 405336553 /nfs/dbraw/zinc/33/65/53/405336553.db2.gz RAUHEKPMRDUXFM-VKJFTORMSA-N 1 3 315.461 2.239 20 0 DEADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000442792825 405336556 /nfs/dbraw/zinc/33/65/56/405336556.db2.gz RAUHEKPMRDUXFM-VKJFTORMSA-N 1 3 315.461 2.239 20 0 DEADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000442792825 405336558 /nfs/dbraw/zinc/33/65/58/405336558.db2.gz RAUHEKPMRDUXFM-VKJFTORMSA-N 1 3 315.461 2.239 20 0 DEADHO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCC[C@H](CC[NH3+])C1 ZINC000443079427 405338051 /nfs/dbraw/zinc/33/80/51/405338051.db2.gz ZMLOTAQIAOHNPT-UUAJXVIYSA-N 1 3 309.498 2.377 20 0 DEADHO [NH3+]CCOCCN1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000420383406 405339938 /nfs/dbraw/zinc/33/99/38/405339938.db2.gz ZPACUCNQVFJRKY-CYBMUJFWSA-N 1 3 302.340 2.470 20 0 DEADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](C)N(C)C)C1 ZINC000454481743 405352157 /nfs/dbraw/zinc/35/21/57/405352157.db2.gz IIHVMZCMHZOGDT-GJZGRUSLSA-N 1 3 312.502 2.136 20 0 DEADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](C)N(C)C)C1 ZINC000454481743 405352159 /nfs/dbraw/zinc/35/21/59/405352159.db2.gz IIHVMZCMHZOGDT-GJZGRUSLSA-N 1 3 312.502 2.136 20 0 DEADHO C[NH+](C)CCCC1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000426916824 405383408 /nfs/dbraw/zinc/38/34/08/405383408.db2.gz QTWKWWXKNKPOJG-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1CCC[C@@](CNC(=O)N(C)C[C@H]2CCCN2C)([NH+](C)C)C1 ZINC000420795022 405385778 /nfs/dbraw/zinc/38/57/78/405385778.db2.gz DFUSUTJKYPICJA-JFIYKMOQSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000446862680 405395530 /nfs/dbraw/zinc/39/55/30/405395530.db2.gz RVEPLTXDRQNGFJ-GASCZTMLSA-N 1 3 307.438 2.043 20 0 DEADHO O=C(C[C@@H]1CCC[NH2+]CC1)N1CCC[C@H]1CN1CCCCC1 ZINC000427320367 405399628 /nfs/dbraw/zinc/39/96/28/405399628.db2.gz LZKKXIUUWSEHSG-SJORKVTESA-N 1 3 307.482 2.243 20 0 DEADHO CC(C)CN(CCN(C)C)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000447046605 405399696 /nfs/dbraw/zinc/39/96/96/405399696.db2.gz HQUMROIYLFPREB-UHFFFAOYSA-N 1 3 324.513 2.090 20 0 DEADHO CCN1CCC([N@@H+]2CCCN(CCc3ccccn3)CC2)CC1 ZINC000421018327 405431080 /nfs/dbraw/zinc/43/10/80/405431080.db2.gz WYNZIUIDUBHIDR-UHFFFAOYSA-N 1 3 316.493 2.116 20 0 DEADHO CCN1CCC([N@H+]2CCCN(CCc3ccccn3)CC2)CC1 ZINC000421018327 405431082 /nfs/dbraw/zinc/43/10/82/405431082.db2.gz WYNZIUIDUBHIDR-UHFFFAOYSA-N 1 3 316.493 2.116 20 0 DEADHO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCCN1C1CCCC1)C1CC1 ZINC000448750606 405444002 /nfs/dbraw/zinc/44/40/02/405444002.db2.gz QJLXVTQYEPSMPX-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[C@@H]([NH3+])CCN(C)CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000430567472 405458892 /nfs/dbraw/zinc/45/88/92/405458892.db2.gz AWUYAWFLLGZERT-AWEZNQCLSA-N 1 3 321.421 2.049 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000431037907 405564057 /nfs/dbraw/zinc/56/40/57/405564057.db2.gz AMUQVPLGONDVDG-FUHWJXTLSA-N 1 3 317.477 2.498 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000431037907 405564062 /nfs/dbraw/zinc/56/40/62/405564062.db2.gz AMUQVPLGONDVDG-FUHWJXTLSA-N 1 3 317.477 2.498 20 0 DEADHO C[C@H]([NH3+])C1CCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000430928131 405531306 /nfs/dbraw/zinc/53/13/06/405531306.db2.gz SNXGDNSMHHVVGQ-GUYCJALGSA-N 1 3 301.434 2.066 20 0 DEADHO O=C(NC1CC1)[C@@H](c1ccccc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431044580 405567145 /nfs/dbraw/zinc/56/71/45/405567145.db2.gz WXRWXOLZMYGUQO-QGZVFWFLSA-N 1 3 313.445 2.082 20 0 DEADHO C[C@@H]1CN(CCC(=O)NCc2ccccc2Cl)CC[C@@H]1[NH3+] ZINC000430940148 405537454 /nfs/dbraw/zinc/53/74/54/405537454.db2.gz OANXNZRXLBSVRI-DOMZBBRYSA-N 1 3 309.841 2.015 20 0 DEADHO CCO[C@@H]1C[C@H](NC[C@@H]2CCC[N@@H+](C(C)C)C2)[C@]12CCCO2 ZINC000638566163 405550153 /nfs/dbraw/zinc/55/01/53/405550153.db2.gz CFNNECUCAOGIAF-WNRNVDISSA-N 1 3 310.482 2.423 20 0 DEADHO CCO[C@@H]1C[C@H](NC[C@@H]2CCC[N@H+](C(C)C)C2)[C@]12CCCO2 ZINC000638566163 405550160 /nfs/dbraw/zinc/55/01/60/405550160.db2.gz CFNNECUCAOGIAF-WNRNVDISSA-N 1 3 310.482 2.423 20 0 DEADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)[C@]12CCCO2 ZINC000638566163 405550166 /nfs/dbraw/zinc/55/01/66/405550166.db2.gz CFNNECUCAOGIAF-WNRNVDISSA-N 1 3 310.482 2.423 20 0 DEADHO CC[C@H]([NH2+]Cc1ccccc1N1CCN(CC)CC1)[C@@H](C)O ZINC000449546368 405607758 /nfs/dbraw/zinc/60/77/58/405607758.db2.gz VKUDLXYJFWEZBL-WBVHZDCISA-N 1 3 305.466 2.078 20 0 DEADHO [NH3+][C@@H]1CCCCC[C@H]1NCc1ccccc1CN1CCOCC1 ZINC000568617197 292354185 /nfs/dbraw/zinc/35/41/85/292354185.db2.gz UYDJKVLZUDUYMJ-RTBURBONSA-N 1 3 317.477 2.268 20 0 DEADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000568617197 292354188 /nfs/dbraw/zinc/35/41/88/292354188.db2.gz UYDJKVLZUDUYMJ-RTBURBONSA-N 1 3 317.477 2.268 20 0 DEADHO C[C@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1Cc1ccccc1 ZINC000635934482 405616601 /nfs/dbraw/zinc/61/66/01/405616601.db2.gz CKHSSQAFSYWQQA-DOTOQJQBSA-N 1 3 315.461 2.107 20 0 DEADHO CC(C)(O)C[NH+]1CCC(NCCOCc2ccccc2)CC1 ZINC000638721643 405634250 /nfs/dbraw/zinc/63/42/50/405634250.db2.gz LKXHGXZBSOQMHE-UHFFFAOYSA-N 1 3 306.450 2.028 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC=C(C)C3)CC2)CC1 ZINC000557681353 405621527 /nfs/dbraw/zinc/62/15/27/405621527.db2.gz XIVBHCNTUWXTKJ-UHFFFAOYSA-N 1 3 319.493 2.361 20 0 DEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](CN)c2ccccc2)C1 ZINC000431061247 405569850 /nfs/dbraw/zinc/56/98/50/405569850.db2.gz JNHPLRXPOJROEF-NVXWUHKLSA-N 1 3 317.477 2.356 20 0 DEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](CN)c2ccccc2)C1 ZINC000431061247 405569855 /nfs/dbraw/zinc/56/98/55/405569855.db2.gz JNHPLRXPOJROEF-NVXWUHKLSA-N 1 3 317.477 2.356 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000557222138 405587648 /nfs/dbraw/zinc/58/76/48/405587648.db2.gz UEEAWMFKCARWTN-OAHLLOKOSA-N 1 3 310.486 2.020 20 0 DEADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CCCN(C)CC2)CC1 ZINC000431649754 405654689 /nfs/dbraw/zinc/65/46/89/405654689.db2.gz QQSWZHCUUBYYFP-UHFFFAOYSA-N 1 3 324.513 2.092 20 0 DEADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NC[C@H]1CCCCO1 ZINC000422708469 405676649 /nfs/dbraw/zinc/67/66/49/405676649.db2.gz XSCHQADLUVPOAT-QGPMSJSTSA-N 1 3 302.418 2.401 20 0 DEADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1cn2c(n1)CCCC2 ZINC000422835210 405685995 /nfs/dbraw/zinc/68/59/95/405685995.db2.gz PBGNOSJFKLCYNQ-MAUKXSAKSA-N 1 3 312.461 2.310 20 0 DEADHO CC[C@H](O)CCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422927619 405690420 /nfs/dbraw/zinc/69/04/20/405690420.db2.gz ZHCGZNPLUGJLDM-YXJHDRRASA-N 1 3 304.434 2.383 20 0 DEADHO N[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000422811608 405683373 /nfs/dbraw/zinc/68/33/73/405683373.db2.gz UTKICQXRMCHQFY-IKGGRYGDSA-N 1 3 323.868 2.183 20 0 DEADHO C[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)[C@H]1CCCCN1 ZINC000423073323 405700417 /nfs/dbraw/zinc/70/04/17/405700417.db2.gz INUCPKYHWBUOBP-OKDNKWQNSA-N 1 3 306.425 2.412 20 0 DEADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCCN1CC=CCC1 ZINC000423096307 405702109 /nfs/dbraw/zinc/70/21/09/405702109.db2.gz OQYMAUWTLAPKBK-MJGOQNOKSA-N 1 3 313.445 2.094 20 0 DEADHO CC(C)[C@@H](CNC1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000422945605 405691303 /nfs/dbraw/zinc/69/13/03/405691303.db2.gz VDXYMTCSKAVNLP-LJQANCHMSA-N 1 3 301.478 2.411 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000422896291 405691753 /nfs/dbraw/zinc/69/17/53/405691753.db2.gz IDZSWLURRPBUPH-MJBXVCDLSA-N 1 3 319.449 2.120 20 0 DEADHO CC(C)[C@@H](CN[C@H](C)C1C[NH2+]C1)N1CCc2ccccc2C1 ZINC000422937281 405692016 /nfs/dbraw/zinc/69/20/16/405692016.db2.gz JIYBDXYEJNMPSD-DNVCBOLYSA-N 1 3 301.478 2.267 20 0 DEADHO CC(C)N1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000457089801 405692571 /nfs/dbraw/zinc/69/25/71/405692571.db2.gz LLGZBZUAFMOVPJ-IAGOWNOFSA-N 1 3 307.482 2.335 20 0 DEADHO CC(C)N1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000457089801 405692576 /nfs/dbraw/zinc/69/25/76/405692576.db2.gz LLGZBZUAFMOVPJ-IAGOWNOFSA-N 1 3 307.482 2.335 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCC1(c2ccc(F)cc2F)CC1 ZINC000423010524 405695163 /nfs/dbraw/zinc/69/51/63/405695163.db2.gz GTAKNAZAEWNOOA-NORZTCDRSA-N 1 3 310.388 2.338 20 0 DEADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1(c2ccc(F)cc2F)CC1 ZINC000423010524 405695172 /nfs/dbraw/zinc/69/51/72/405695172.db2.gz GTAKNAZAEWNOOA-NORZTCDRSA-N 1 3 310.388 2.338 20 0 DEADHO C/C=C\C[C@H](CO)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423044771 405696588 /nfs/dbraw/zinc/69/65/88/405696588.db2.gz AXCLHZQIRNUUEM-MTZDZRAZSA-N 1 3 302.418 2.159 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+][C@H]2C[C@@H](O)C2(C)C)CC1 ZINC000494438998 405698348 /nfs/dbraw/zinc/69/83/48/405698348.db2.gz YGJAXKGTPYWDNK-ZWKOTPCHSA-N 1 3 317.477 2.078 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)NCc1cccc2c1CC[NH2+]C2 ZINC000638846022 405709700 /nfs/dbraw/zinc/70/97/00/405709700.db2.gz MXIHNOMLOAZQLU-IBGZPJMESA-N 1 3 321.424 2.183 20 0 DEADHO C[C@@H](NCCCN1CC[NH2+]CC1)c1cc(F)c(F)c(F)c1 ZINC000423178546 405711954 /nfs/dbraw/zinc/71/19/54/405711954.db2.gz KZHJAAOMXDJZEQ-LLVKDONJSA-N 1 3 301.356 2.050 20 0 DEADHO CCCCn1cc(C[NH2+]C2CCN(CC(C)(C)O)CC2)c(C)n1 ZINC000638835909 405703983 /nfs/dbraw/zinc/70/39/83/405703983.db2.gz NHQUFWSKVWSNJU-UHFFFAOYSA-N 1 3 322.497 2.317 20 0 DEADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1CCCCN1 ZINC000638837098 405704561 /nfs/dbraw/zinc/70/45/61/405704561.db2.gz XWUYLVAFURQORO-RYQLBKOJSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1CCCCN1 ZINC000638837098 405704566 /nfs/dbraw/zinc/70/45/66/405704566.db2.gz XWUYLVAFURQORO-RYQLBKOJSA-N 1 3 315.461 2.013 20 0 DEADHO Cc1ccc(NC(=O)CCN[C@H]2CCC[C@H]([NH+](C)C)C2)nc1 ZINC000568740322 292363309 /nfs/dbraw/zinc/36/33/09/292363309.db2.gz FNVARJLCYLMNFN-GJZGRUSLSA-N 1 3 304.438 2.181 20 0 DEADHO Cc1ccc(NC(=O)CC[NH2+][C@H]2CCC[C@H](N(C)C)C2)nc1 ZINC000568740322 292363311 /nfs/dbraw/zinc/36/33/11/292363311.db2.gz FNVARJLCYLMNFN-GJZGRUSLSA-N 1 3 304.438 2.181 20 0 DEADHO NC1(C(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000638849998 405713904 /nfs/dbraw/zinc/71/39/04/405713904.db2.gz AIQAKTJGVUPVNU-INIZCTEOSA-N 1 3 301.434 2.039 20 0 DEADHO NC1(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000638849998 405713910 /nfs/dbraw/zinc/71/39/10/405713910.db2.gz AIQAKTJGVUPVNU-INIZCTEOSA-N 1 3 301.434 2.039 20 0 DEADHO CC(=O)NCCc1ccc([C@H](C)N[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000423280444 405748182 /nfs/dbraw/zinc/74/81/82/405748182.db2.gz UEULBKOUJKYREB-MORSLUCNSA-N 1 3 303.450 2.143 20 0 DEADHO C[C@H]1CCN[C@H](C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000423310253 405756596 /nfs/dbraw/zinc/75/65/96/405756596.db2.gz NFCBTSHXEAHILL-YJBOKZPZSA-N 1 3 315.461 2.287 20 0 DEADHO C[C@H](N[C@H]1CC[NH2+][C@H](C)C1)c1ccc(OCCN(C)C)cc1 ZINC000423374804 405782303 /nfs/dbraw/zinc/78/23/03/405782303.db2.gz KAZBVBDQRYESQW-VYDXJSESSA-N 1 3 305.466 2.418 20 0 DEADHO C[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@H](N3CCCCC3)C2)cc1 ZINC000423385333 405784471 /nfs/dbraw/zinc/78/44/71/405784471.db2.gz QTMCUIDVAVZYLA-PBHICJAKSA-N 1 3 301.434 2.407 20 0 DEADHO C[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(F)c1 ZINC000423384831 405785627 /nfs/dbraw/zinc/78/56/27/405785627.db2.gz KGSHGUMZLHMTQV-SMDDNHRTSA-N 1 3 319.346 2.312 20 0 DEADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H](N)C1CCC1)c1ccccc1 ZINC000423394425 405789258 /nfs/dbraw/zinc/78/92/58/405789258.db2.gz ZQFZEQDATZWOFT-CZUORRHYSA-N 1 3 303.450 2.359 20 0 DEADHO COC[C@]1(CN[C@H]2CCN(C)[C@H](c3ccccc3)C2)CCC[NH2+]1 ZINC000423408380 405793784 /nfs/dbraw/zinc/79/37/84/405793784.db2.gz AGXKWKPDWSVMNZ-GBESFXJTSA-N 1 3 317.477 2.180 20 0 DEADHO COCC1(CN[C@@H](C)c2nc3ccccc3n2C)CC[NH2+]CC1 ZINC000423407542 405793844 /nfs/dbraw/zinc/79/38/44/405793844.db2.gz MQEMEXPXFRIPPM-AWEZNQCLSA-N 1 3 316.449 2.240 20 0 DEADHO COC(=O)c1cnc([C@H](C)NC[C@H]2CC[C@H](C[NH3+])CC2)s1 ZINC000423426015 405801092 /nfs/dbraw/zinc/80/10/92/405801092.db2.gz OTPJNKGAUVICTI-SRVKXCTJSA-N 1 3 311.451 2.345 20 0 DEADHO C[C@H](C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21)[C@H](N)c1ccccc1 ZINC000639021191 405823713 /nfs/dbraw/zinc/82/37/13/405823713.db2.gz SKRKZEZXQVTAMT-KHYOSLBOSA-N 1 3 323.440 2.487 20 0 DEADHO COc1ccc([C@H]2C[C@@H]2[C@H](C)NC[C@H]2C[NH2+]CCCO2)cc1 ZINC000423496356 405826569 /nfs/dbraw/zinc/82/65/69/405826569.db2.gz WNUBRWZSDSOMGI-OKDNKWQNSA-N 1 3 304.434 2.155 20 0 DEADHO CCN1CCC([NH2+][C@H]2CNCC[C@H]2c2ccc(OC)cc2)CC1 ZINC000423327876 405763826 /nfs/dbraw/zinc/76/38/26/405763826.db2.gz KMDUIASVOWSHTJ-OALUTQOASA-N 1 3 317.477 2.215 20 0 DEADHO C[N@@H+]1CC[C@H](CC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000636128900 405764207 /nfs/dbraw/zinc/76/42/07/405764207.db2.gz OOOKVRDLRFWRPB-IEBWSBKVSA-N 1 3 315.461 2.109 20 0 DEADHO C[N@H+]1CC[C@H](CC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000636128900 405764210 /nfs/dbraw/zinc/76/42/10/405764210.db2.gz OOOKVRDLRFWRPB-IEBWSBKVSA-N 1 3 315.461 2.109 20 0 DEADHO CC(C)[C@@H](C[NH3+])C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000433138380 405877544 /nfs/dbraw/zinc/87/75/44/405877544.db2.gz SBBSYUFPRVITAP-GOEBONIOSA-N 1 3 323.506 2.307 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1cccc2c1CCNC2 ZINC000561045034 405886688 /nfs/dbraw/zinc/88/66/88/405886688.db2.gz JTDYBVIMXSNZCK-CYBMUJFWSA-N 1 3 304.438 2.183 20 0 DEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1cccc2c1CCNC2 ZINC000561045034 405886692 /nfs/dbraw/zinc/88/66/92/405886692.db2.gz JTDYBVIMXSNZCK-CYBMUJFWSA-N 1 3 304.438 2.183 20 0 DEADHO C[C@H]1C[C@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CN1C1CC1 ZINC000531007504 405893781 /nfs/dbraw/zinc/89/37/81/405893781.db2.gz CSFIFQXMIXKBBM-GJZGRUSLSA-N 1 3 322.497 2.127 20 0 DEADHO C[C@H]1C[C@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CN1C1CC1 ZINC000531007504 405893788 /nfs/dbraw/zinc/89/37/88/405893788.db2.gz CSFIFQXMIXKBBM-GJZGRUSLSA-N 1 3 322.497 2.127 20 0 DEADHO CN1CCNC[C@@H]1CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000423509720 405834392 /nfs/dbraw/zinc/83/43/92/405834392.db2.gz IYLIPICQJSWOAA-QGZVFWFLSA-N 1 3 324.557 2.159 20 0 DEADHO CO[C@@](C)(C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1)C1CC1 ZINC000639045013 405841158 /nfs/dbraw/zinc/84/11/58/405841158.db2.gz SRMGANACWZETRP-IBGZPJMESA-N 1 3 323.525 2.151 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)N(C)C ZINC000633799326 405844418 /nfs/dbraw/zinc/84/44/18/405844418.db2.gz DKYOSWLUIPWZLX-RYQLBKOJSA-N 1 3 317.477 2.211 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)N(C)C ZINC000633799326 405844426 /nfs/dbraw/zinc/84/44/26/405844426.db2.gz DKYOSWLUIPWZLX-RYQLBKOJSA-N 1 3 317.477 2.211 20 0 DEADHO c1n[nH]cc1CCN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000459498778 405931364 /nfs/dbraw/zinc/93/13/64/405931364.db2.gz LLNHNNCISJHNDD-RTBURBONSA-N 1 3 310.445 2.406 20 0 DEADHO c1n[nH]cc1CCN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000459498778 405931371 /nfs/dbraw/zinc/93/13/71/405931371.db2.gz LLNHNNCISJHNDD-RTBURBONSA-N 1 3 310.445 2.406 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])cc1 ZINC000423733458 405934486 /nfs/dbraw/zinc/93/44/86/405934486.db2.gz PYPHNRXNIIKVPZ-SJLPKXTDSA-N 1 3 303.450 2.272 20 0 DEADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000423734721 405934667 /nfs/dbraw/zinc/93/46/67/405934667.db2.gz BHIZEYNPWBQOMY-ZWKOTPCHSA-N 1 3 317.477 2.485 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000433367662 405936409 /nfs/dbraw/zinc/93/64/09/405936409.db2.gz VIPKTMFCTVQORA-CVEARBPZSA-N 1 3 303.450 2.351 20 0 DEADHO CN(C)CC(C)(C)NC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000457717770 405967319 /nfs/dbraw/zinc/96/73/19/405967319.db2.gz UPJPJJUFSHJEHF-UHFFFAOYSA-N 1 3 312.502 2.280 20 0 DEADHO CN(C)CC(C)(C)NC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000457717770 405967324 /nfs/dbraw/zinc/96/73/24/405967324.db2.gz UPJPJJUFSHJEHF-UHFFFAOYSA-N 1 3 312.502 2.280 20 0 DEADHO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC000433379931 405937685 /nfs/dbraw/zinc/93/76/85/405937685.db2.gz XHSASDPECBRECA-INIZCTEOSA-N 1 3 303.450 2.305 20 0 DEADHO CN1CCC(N2CC[C@@H]([N@H+](C)CC3CCSCC3)C2)CC1 ZINC000639171847 405942495 /nfs/dbraw/zinc/94/24/95/405942495.db2.gz DSOLGUPLRAWSNN-QGZVFWFLSA-N 1 3 311.539 2.230 20 0 DEADHO CN1CCC(N2CC[C@@H]([N@@H+](C)CC3CCSCC3)C2)CC1 ZINC000639171847 405942498 /nfs/dbraw/zinc/94/24/98/405942498.db2.gz DSOLGUPLRAWSNN-QGZVFWFLSA-N 1 3 311.539 2.230 20 0 DEADHO C[NH+]1CCC([C@H]2CCN(Cc3cc4c(cn3)OCCO4)C2)CC1 ZINC000639177093 405949386 /nfs/dbraw/zinc/94/93/86/405949386.db2.gz PFBIALRHHYZLSD-HNNXBMFYSA-N 1 3 317.433 2.017 20 0 DEADHO CC(C)[C@](C)(C[NH3+])NCCC(=O)NCc1ccccc1Cl ZINC000433493189 405954686 /nfs/dbraw/zinc/95/46/86/405954686.db2.gz IXQLCAYHPWHHIM-INIZCTEOSA-N 1 3 311.857 2.309 20 0 DEADHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000423771865 405955337 /nfs/dbraw/zinc/95/53/37/405955337.db2.gz KASAXSFUGHOJAB-HPBDAGMYSA-N 1 3 315.461 2.408 20 0 DEADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000423771865 405955341 /nfs/dbraw/zinc/95/53/41/405955341.db2.gz KASAXSFUGHOJAB-HPBDAGMYSA-N 1 3 315.461 2.408 20 0 DEADHO CN(C)C[C@@H](NC(=O)CC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423776953 405960350 /nfs/dbraw/zinc/96/03/50/405960350.db2.gz QWNKVTCSEAJCLX-MRXNPFEDSA-N 1 3 323.868 2.449 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000423777972 405960903 /nfs/dbraw/zinc/96/09/03/405960903.db2.gz SELAGMWTXUJBKC-HNNXBMFYSA-N 1 3 323.506 2.418 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cccc(N2CCOC2=O)c1 ZINC000497142176 406015813 /nfs/dbraw/zinc/01/58/13/406015813.db2.gz FLQIPODGBFIBRC-GDBMZVCRSA-N 1 3 303.406 2.250 20 0 DEADHO CCC[N@@H+](CCc1cscn1)CCN1CCN(CC)CC1 ZINC000451039105 406027377 /nfs/dbraw/zinc/02/73/77/406027377.db2.gz XDRWMDKZPCFCOP-UHFFFAOYSA-N 1 3 310.511 2.035 20 0 DEADHO CCC[N@H+](CCc1cscn1)CCN1CCN(CC)CC1 ZINC000451039105 406027386 /nfs/dbraw/zinc/02/73/86/406027386.db2.gz XDRWMDKZPCFCOP-UHFFFAOYSA-N 1 3 310.511 2.035 20 0 DEADHO Cc1cc(CN(C)C)cc(NC(=O)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000423794638 405972300 /nfs/dbraw/zinc/97/23/00/405972300.db2.gz YBZKWFLIKPYGOV-MRXNPFEDSA-N 1 3 301.434 2.385 20 0 DEADHO Cn1cnc(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)c1 ZINC000459653192 405998312 /nfs/dbraw/zinc/99/83/12/405998312.db2.gz DBQGRZSYTGSMRA-YZGWKJHDSA-N 1 3 324.472 2.463 20 0 DEADHO Cn1cnc(CCN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000459653192 405998322 /nfs/dbraw/zinc/99/83/22/405998322.db2.gz DBQGRZSYTGSMRA-YZGWKJHDSA-N 1 3 324.472 2.463 20 0 DEADHO Cn1cnc(CCN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000459653192 405998330 /nfs/dbraw/zinc/99/83/30/405998330.db2.gz DBQGRZSYTGSMRA-YZGWKJHDSA-N 1 3 324.472 2.463 20 0 DEADHO C[C@@H](CNC(=O)[C@H]1CNCc2ccccc21)[NH+]1CCC(C)CC1 ZINC000567608626 406104142 /nfs/dbraw/zinc/10/41/42/406104142.db2.gz GFEAGVKXWTZWLS-YJBOKZPZSA-N 1 3 315.461 2.110 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000634269041 406075040 /nfs/dbraw/zinc/07/50/40/406075040.db2.gz DNNKUHDKJQSHEY-DLBZAZTESA-N 1 3 318.465 2.251 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+](C)CCCCO)CC1 ZINC000471797091 406118226 /nfs/dbraw/zinc/11/82/26/406118226.db2.gz HKIGRQSBGPFMOY-UHFFFAOYSA-N 1 3 305.466 2.033 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+](C)CCCCO)CC1 ZINC000471797091 406118231 /nfs/dbraw/zinc/11/82/31/406118231.db2.gz HKIGRQSBGPFMOY-UHFFFAOYSA-N 1 3 305.466 2.033 20 0 DEADHO CC(C)(C[NH2+]C[C@H](O)COc1ccccc1)CN1CCCC1 ZINC000567699977 406122433 /nfs/dbraw/zinc/12/24/33/406122433.db2.gz BPMSAYIZOZQRLC-INIZCTEOSA-N 1 3 306.450 2.138 20 0 DEADHO C[C@@H](NC(=O)CC1CCN(C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000487051259 406200528 /nfs/dbraw/zinc/20/05/28/406200528.db2.gz ZOLGEPMTSCKTGD-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](NC(=O)CC1CCN(C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000487051259 406200531 /nfs/dbraw/zinc/20/05/31/406200531.db2.gz ZOLGEPMTSCKTGD-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CC3CCC3)CC2)CC1 ZINC000568188879 406208347 /nfs/dbraw/zinc/20/83/47/406208347.db2.gz UVUDSOFFWROQIF-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO COC(=O)c1cc2c(o1)c(OC)ccc2CN[C@H](C)C[C@H](C)[NH3+] ZINC000519606046 406220417 /nfs/dbraw/zinc/22/04/17/406220417.db2.gz JXIBVXBFJSUZGJ-WDEREUQCSA-N 1 3 320.389 2.443 20 0 DEADHO C[NH+]1CCC2(CCN(CC(=O)NCCC3CCCCC3)C2)CC1 ZINC000639758171 406238207 /nfs/dbraw/zinc/23/82/07/406238207.db2.gz POUSAILNWZZBTI-UHFFFAOYSA-N 1 3 321.509 2.491 20 0 DEADHO C[C@@H](NC(=O)CN1CCC2(C1)CC[NH+](C)CC2)c1ccccc1 ZINC000639757846 406238402 /nfs/dbraw/zinc/23/84/02/406238402.db2.gz OXGAQLQSUHOSHO-MRXNPFEDSA-N 1 3 315.461 2.282 20 0 DEADHO C[NH+](C)C[C@@]1(O)CCCN(CCCOCCc2ccccc2)C1 ZINC000639763278 406241412 /nfs/dbraw/zinc/24/14/12/406241412.db2.gz QEYDDSKSSSJDRS-IBGZPJMESA-N 1 3 320.477 2.024 20 0 DEADHO Cc1cc(CN[C@@H]2CC[NH2+]CC(C)(C)C2)ccc1-n1cncn1 ZINC000634732988 406252620 /nfs/dbraw/zinc/25/26/20/406252620.db2.gz TURSMAQDSRDZPP-MRXNPFEDSA-N 1 3 313.449 2.444 20 0 DEADHO N[C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000569702883 406293257 /nfs/dbraw/zinc/29/32/57/406293257.db2.gz MMLSOZJASFFTAU-IPMKNSEASA-N 1 3 317.477 2.137 20 0 DEADHO O=C(NCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1F ZINC000569919256 406320728 /nfs/dbraw/zinc/32/07/28/406320728.db2.gz UCAOPUXTZZKMBQ-UAGQMJEPSA-N 1 3 319.424 2.066 20 0 DEADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@H]2CCN2C2CCCC2)CC1 ZINC000637472899 406321205 /nfs/dbraw/zinc/32/12/05/406321205.db2.gz MPGJTBQTMJNEOH-QGZVFWFLSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@H]1C[C@H]1C[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000488542621 406329511 /nfs/dbraw/zinc/32/95/11/406329511.db2.gz KKSAZZZJWNOKBB-YJBOKZPZSA-N 1 3 315.461 2.258 20 0 DEADHO CN1CCC[C@H](CNC(=O)[C@@]2(C)CCC[NH2+]2)[C@H]1c1cccs1 ZINC000521442442 406347684 /nfs/dbraw/zinc/34/76/84/406347684.db2.gz FEDBBNJDRLOPBR-UKPHBRMFSA-N 1 3 321.490 2.389 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](C3CCC3)CC2)C1 ZINC000635002757 406395023 /nfs/dbraw/zinc/39/50/23/406395023.db2.gz YUZDVKOCAUKZOU-NVXWUHKLSA-N 1 3 307.482 2.086 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H](C3CCC3)CC2)C1 ZINC000635002757 406395025 /nfs/dbraw/zinc/39/50/25/406395025.db2.gz YUZDVKOCAUKZOU-NVXWUHKLSA-N 1 3 307.482 2.086 20 0 DEADHO CC[N@H+](C)C[C@H](O)CN[C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000570460854 406397259 /nfs/dbraw/zinc/39/72/59/406397259.db2.gz HEIISEQRROUYEY-SQNIBIBYSA-N 1 3 320.477 2.273 20 0 DEADHO CC[N@@H+](C)C[C@H](O)CN[C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000570460854 406397265 /nfs/dbraw/zinc/39/72/65/406397265.db2.gz HEIISEQRROUYEY-SQNIBIBYSA-N 1 3 320.477 2.273 20 0 DEADHO C[C@H](CN[C@@H]1CC[NH2+]CC[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000635011737 406399815 /nfs/dbraw/zinc/39/98/15/406399815.db2.gz GNSIXFKYMOIQAM-JJRVBVJISA-N 1 3 324.490 2.171 20 0 DEADHO C[C@H](C[NH2+][C@@H]1CCNCC[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000635011737 406399819 /nfs/dbraw/zinc/39/98/19/406399819.db2.gz GNSIXFKYMOIQAM-JJRVBVJISA-N 1 3 324.490 2.171 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000570681407 406425883 /nfs/dbraw/zinc/42/58/83/406425883.db2.gz UFFAAVGHNKUOSJ-GJZGRUSLSA-N 1 3 310.486 2.020 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC000521895128 406375716 /nfs/dbraw/zinc/37/57/16/406375716.db2.gz DVAPAQHLKRTQNA-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC000521895128 406375718 /nfs/dbraw/zinc/37/57/18/406375718.db2.gz DVAPAQHLKRTQNA-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)CN1Cc1ccccc1 ZINC000571191651 406489528 /nfs/dbraw/zinc/48/95/28/406489528.db2.gz SSXAGGUFRHHESV-FUHWJXTLSA-N 1 3 317.477 2.498 20 0 DEADHO Cc1ccc([C@H](CNC(=O)C2(C[NH+](C)C)CC2)N(C)C)cc1 ZINC000635437528 406536755 /nfs/dbraw/zinc/53/67/55/406536755.db2.gz QCGPDSDHWLVRHH-INIZCTEOSA-N 1 3 303.450 2.056 20 0 DEADHO CN(C(=O)CCC1C[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000638073769 406555595 /nfs/dbraw/zinc/55/55/95/406555595.db2.gz GIVIGCPOZRYBAI-GOSISDBHSA-N 1 3 315.461 2.109 20 0 DEADHO CC(C)CC[C@@H](N)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000638085041 406561692 /nfs/dbraw/zinc/56/16/92/406561692.db2.gz NTFXDYHAEMLBAX-MRXNPFEDSA-N 1 3 321.465 2.007 20 0 DEADHO CO[C@@](C)(CN1CCN(C2CC[NH+](C(C)C)CC2)CC1)C1CC1 ZINC000638155000 406596648 /nfs/dbraw/zinc/59/66/48/406596648.db2.gz XPFRHHMLYUNXNA-IBGZPJMESA-N 1 3 323.525 2.292 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)/C=C\C[NH+](C)C)c1ccsc1 ZINC000491624290 406636631 /nfs/dbraw/zinc/63/66/31/406636631.db2.gz BHIWKJYJOHGLCX-LZNQSLFOSA-N 1 3 309.479 2.365 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CC=CC[C@H]1C ZINC000551517027 406621977 /nfs/dbraw/zinc/62/19/77/406621977.db2.gz AZFWDFWHBKPYAF-FGTMMUONSA-N 1 3 321.509 2.463 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CC=CC[C@H]1C ZINC000551517027 406621981 /nfs/dbraw/zinc/62/19/81/406621981.db2.gz AZFWDFWHBKPYAF-FGTMMUONSA-N 1 3 321.509 2.463 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2CCN2C2CCCC2)C1 ZINC000635621556 406629823 /nfs/dbraw/zinc/62/98/23/406629823.db2.gz BFRDXVIHGYMKIZ-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000527087294 406580855 /nfs/dbraw/zinc/58/08/55/406580855.db2.gz DQFFEQZHRVDIFJ-OAHLLOKOSA-N 1 3 318.465 2.254 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000527087294 406580859 /nfs/dbraw/zinc/58/08/59/406580859.db2.gz DQFFEQZHRVDIFJ-OAHLLOKOSA-N 1 3 318.465 2.254 20 0 DEADHO CN(CC(=O)NC1CC[NH+](C2CCCC2)CC1)CC(C)(C)C ZINC000635653603 406652966 /nfs/dbraw/zinc/65/29/66/406652966.db2.gz YFIDTLJIVMEAIO-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCCNC(=O)NC(C)C ZINC000645860716 406670546 /nfs/dbraw/zinc/67/05/46/406670546.db2.gz HXKDALPQDAKAOY-HOTGVXAUSA-N 1 3 312.502 2.184 20 0 DEADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCCNC(=O)NC(C)C ZINC000645860717 406670643 /nfs/dbraw/zinc/67/06/43/406670643.db2.gz HXKDALPQDAKAOY-HZPDHXFCSA-N 1 3 312.502 2.184 20 0 DEADHO CC1(C)CC(NCCC(=O)Nc2cccnc2)CC(C)(C)[NH2+]1 ZINC000572455083 406670752 /nfs/dbraw/zinc/67/07/52/406670752.db2.gz AFCNMWPXRLOLCX-UHFFFAOYSA-N 1 3 304.438 2.309 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NCc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000572879382 406757104 /nfs/dbraw/zinc/75/71/04/406757104.db2.gz CONFAVIICPVERR-WDEREUQCSA-N 1 3 302.378 2.021 20 0 DEADHO c1ccc(CCC[C@H]2CCC[N@@H+]2CCN2CCNCC2)cc1 ZINC000572888519 406759119 /nfs/dbraw/zinc/75/91/19/406759119.db2.gz VHTBLMWWOCRMRG-IBGZPJMESA-N 1 3 301.478 2.379 20 0 DEADHO c1ccc(CCC[C@H]2CCC[N@H+]2CCN2CCNCC2)cc1 ZINC000572888519 406759123 /nfs/dbraw/zinc/75/91/23/406759123.db2.gz VHTBLMWWOCRMRG-IBGZPJMESA-N 1 3 301.478 2.379 20 0 DEADHO C[N@@H+]1CCC[C@H]1CCN1CC[C@@H](C(=O)NCc2ccccc2)C1 ZINC000646056981 406760846 /nfs/dbraw/zinc/76/08/46/406760846.db2.gz POJNPYAKOJVXLU-MSOLQXFVSA-N 1 3 315.461 2.109 20 0 DEADHO C[N@H+]1CCC[C@H]1CCN1CC[C@@H](C(=O)NCc2ccccc2)C1 ZINC000646056981 406760849 /nfs/dbraw/zinc/76/08/49/406760849.db2.gz POJNPYAKOJVXLU-MSOLQXFVSA-N 1 3 315.461 2.109 20 0 DEADHO CO[C@@]1(CNCc2cccc(C[N@H+](C)C(C)C)c2)CCOC1 ZINC000638433911 406770314 /nfs/dbraw/zinc/77/03/14/406770314.db2.gz DZWNOIMICXKLGP-GOSISDBHSA-N 1 3 306.450 2.422 20 0 DEADHO CO[C@@]1(CNCc2cccc(C[N@@H+](C)C(C)C)c2)CCOC1 ZINC000638433911 406770327 /nfs/dbraw/zinc/77/03/27/406770327.db2.gz DZWNOIMICXKLGP-GOSISDBHSA-N 1 3 306.450 2.422 20 0 DEADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000527941478 406792496 /nfs/dbraw/zinc/79/24/96/406792496.db2.gz ZVNKWTZGACPMQI-LPWJVIDDSA-N 1 3 304.360 2.305 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000646212948 406818219 /nfs/dbraw/zinc/81/82/19/406818219.db2.gz XFVBVKLWZIKBSC-UONOGXRCSA-N 1 3 324.444 2.025 20 0 DEADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CC(C)(C)[NH3+] ZINC000646254124 406826828 /nfs/dbraw/zinc/82/68/28/406826828.db2.gz RKUNXHSKKKVUML-UHFFFAOYSA-N 1 3 311.857 2.358 20 0 DEADHO C[C@@H]1CN(Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)N1C ZINC000646262911 406830461 /nfs/dbraw/zinc/83/04/61/406830461.db2.gz COYORYSWQCEJMC-IYBDPMFKSA-N 1 3 305.466 2.151 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccoc3)CC2)CC1 ZINC000646755561 406904271 /nfs/dbraw/zinc/90/42/71/406904271.db2.gz XWTLXLKXYAIUCM-UHFFFAOYSA-N 1 3 319.449 2.092 20 0 DEADHO CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000647552544 407019578 /nfs/dbraw/zinc/01/95/78/407019578.db2.gz GALLLKGEYGHVFM-GVDBMIGSSA-N 1 3 321.509 2.332 20 0 DEADHO CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000647552544 407019580 /nfs/dbraw/zinc/01/95/80/407019580.db2.gz GALLLKGEYGHVFM-GVDBMIGSSA-N 1 3 321.509 2.332 20 0 DEADHO COc1ccc2[nH]cc(CC[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)N)c2c1 ZINC000643453992 407002370 /nfs/dbraw/zinc/00/23/70/407002370.db2.gz RVZQORJOQSJRLQ-BJOOFOGMSA-N 1 3 317.433 2.061 20 0 DEADHO COc1ccc([C@H](CN[C@H]2CCC[C@H]2[NH3+])N2CCCC2)cc1 ZINC000643456580 407002499 /nfs/dbraw/zinc/00/24/99/407002499.db2.gz JXZVXSVKKIBHTG-SQNIBIBYSA-N 1 3 303.450 2.302 20 0 DEADHO COc1ccc([C@H](C[NH2+][C@H]2CCC[C@H]2N)N2CCCC2)cc1 ZINC000643456580 407002501 /nfs/dbraw/zinc/00/25/01/407002501.db2.gz JXZVXSVKKIBHTG-SQNIBIBYSA-N 1 3 303.450 2.302 20 0 DEADHO CCC[C@H]1CN(CCCC2CC[NH2+]CC2)CCN1CCOC ZINC000647990858 407095460 /nfs/dbraw/zinc/09/54/60/407095460.db2.gz OACZKGJKIYKJQF-SFHVURJKSA-N 1 3 311.514 2.199 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C[C@]2(C)CCCS2)CC1 ZINC000647910972 407073250 /nfs/dbraw/zinc/07/32/50/407073250.db2.gz MZDDDRVHJCETMW-SJORKVTESA-N 1 3 311.539 2.374 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C[C@]2(C)CCCS2)CC1 ZINC000647910972 407073251 /nfs/dbraw/zinc/07/32/51/407073251.db2.gz MZDDDRVHJCETMW-SJORKVTESA-N 1 3 311.539 2.374 20 0 DEADHO CC1(C)CN[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000644049729 407077088 /nfs/dbraw/zinc/07/70/88/407077088.db2.gz NVKBMJAPIYPRRC-HNNXBMFYSA-N 1 3 307.482 2.289 20 0 DEADHO CC[C@H]1CN(CCC(=O)Nc2cccc(OC)c2)CC[C@H]1[NH3+] ZINC000647936491 407079199 /nfs/dbraw/zinc/07/91/99/407079199.db2.gz GGGPDMCEZSIZFF-XJKSGUPXSA-N 1 3 305.422 2.083 20 0 DEADHO CCOC[C@H](O)CNCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000644522434 407134999 /nfs/dbraw/zinc/13/49/99/407134999.db2.gz XFKZPQRUICAAPQ-VQIMIIECSA-N 1 3 320.477 2.406 20 0 DEADHO CCOC[C@H](O)CNCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000644522434 407135001 /nfs/dbraw/zinc/13/50/01/407135001.db2.gz XFKZPQRUICAAPQ-VQIMIIECSA-N 1 3 320.477 2.406 20 0 DEADHO CCCN(C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1)[C@@H]1CCN(C)C1 ZINC000645205665 407246376 /nfs/dbraw/zinc/24/63/76/407246376.db2.gz KSTKRCXPDJIOKZ-GVDBMIGSSA-N 1 3 324.513 2.233 20 0 DEADHO CCCN(C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1)[C@@H]1CCN(C)C1 ZINC000645205665 407246377 /nfs/dbraw/zinc/24/63/77/407246377.db2.gz KSTKRCXPDJIOKZ-GVDBMIGSSA-N 1 3 324.513 2.233 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000645221256 407248756 /nfs/dbraw/zinc/24/87/56/407248756.db2.gz JVBXHBAWLOKCQO-QGZVFWFLSA-N 1 3 316.449 2.028 20 0 DEADHO CC(C)(C)c1n[nH]cc1CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000570810758 292508035 /nfs/dbraw/zinc/50/80/35/292508035.db2.gz JSBFJFOWLHRNPP-JKSUJKDBSA-N 1 3 320.481 2.426 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H](C)C[C@H](C)[NH3+])c1ccco1 ZINC000571082876 292525272 /nfs/dbraw/zinc/52/52/72/292525272.db2.gz WEFVSSFNJLSENO-XDQVBPFNSA-N 1 3 310.442 2.134 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H](N)CC(F)F)C1 ZINC000345704537 287272455 /nfs/dbraw/zinc/27/24/55/287272455.db2.gz DSXJJWQWQVFQBM-HZSPNIEDSA-N 1 3 317.424 2.082 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H](N)CC(F)F)C1 ZINC000345704537 287272457 /nfs/dbraw/zinc/27/24/57/287272457.db2.gz DSXJJWQWQVFQBM-HZSPNIEDSA-N 1 3 317.424 2.082 20 0 DEADHO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCc1ccc2c(c1)CNC2 ZINC000188705907 225030559 /nfs/dbraw/zinc/03/05/59/225030559.db2.gz WVDKJHAAOJKDDI-IAGOWNOFSA-N 1 3 301.434 2.204 20 0 DEADHO C[C@](O)(C[NH2+]C1CCN(c2ccncc2)CC1)c1ccco1 ZINC000297572749 227319045 /nfs/dbraw/zinc/31/90/45/227319045.db2.gz HYZLVNZGVDMDMP-KRWDZBQOSA-N 1 3 301.390 2.141 20 0 DEADHO C[NH+](C)CC[C@H](NC(=O)NC[C@@H](N)c1ccccc1)C(C)(C)C ZINC000417678092 229066675 /nfs/dbraw/zinc/06/66/75/229066675.db2.gz IYGUPGZFWVUZNJ-CVEARBPZSA-N 1 3 320.481 2.352 20 0 DEADHO C[C@H]1C[C@H](NC(=O)N(CCC[NH3+])CC2CCCC2)CCN1C ZINC000417749777 229086348 /nfs/dbraw/zinc/08/63/48/229086348.db2.gz JRUWDDBAIOFICJ-GOEBONIOSA-N 1 3 310.486 2.020 20 0 DEADHO CN(C)C(=O)c1ccccc1C[N@@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000418068336 229210486 /nfs/dbraw/zinc/21/04/86/229210486.db2.gz PVUIPBVLMFWZIV-LJQANCHMSA-N 1 3 315.461 2.306 20 0 DEADHO CN(C)C(=O)c1ccccc1C[N@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000418068336 229210490 /nfs/dbraw/zinc/21/04/90/229210490.db2.gz PVUIPBVLMFWZIV-LJQANCHMSA-N 1 3 315.461 2.306 20 0 DEADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCCCC[NH3+])N(C)C ZINC000418180260 229257458 /nfs/dbraw/zinc/25/74/58/229257458.db2.gz KBDAOAGZCKPHOQ-GDBMZVCRSA-N 1 3 306.454 2.024 20 0 DEADHO C[NH+](C)CCCC(C)(C)NC(=O)NCc1ccc2c(c1)CNC2 ZINC000418577526 229393912 /nfs/dbraw/zinc/39/39/12/229393912.db2.gz IIYFLLGKBHEIMN-UHFFFAOYSA-N 1 3 318.465 2.209 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@@H]1NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000422713522 230174787 /nfs/dbraw/zinc/17/47/87/230174787.db2.gz HOXXDNOCNIYDLW-KDOFPFPSSA-N 1 3 305.441 2.378 20 0 DEADHO c1ccc(OCCCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422779537 230204804 /nfs/dbraw/zinc/20/48/04/230204804.db2.gz BXHGXZSBBNLDPV-OKZBNKHCSA-N 1 3 304.434 2.202 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCOC[C@@H]1CCCO1 ZINC000422793246 230211158 /nfs/dbraw/zinc/21/11/58/230211158.db2.gz WTZHSMAANDSIHE-BBRMVZONSA-N 1 3 307.438 2.085 20 0 DEADHO CN(C)C(=O)c1cccc(CC[NH2+][C@H]2CCCC[C@H]2CN)c1 ZINC000422792409 230211323 /nfs/dbraw/zinc/21/13/23/230211323.db2.gz ZCPTWXNFLLRVHN-IRXDYDNUSA-N 1 3 303.450 2.038 20 0 DEADHO Cc1ccc(OCCCC[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)cc1 ZINC000422896819 230267811 /nfs/dbraw/zinc/26/78/11/230267811.db2.gz IQIVOVFDTLPNPR-CGTJXYLNSA-N 1 3 306.450 2.496 20 0 DEADHO c1ccc2c(c1)CC[C@@H]2CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422913051 230274680 /nfs/dbraw/zinc/27/46/80/230274680.db2.gz XNXHPFAJFWLWAN-OQIJWPOYSA-N 1 3 300.446 2.463 20 0 DEADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])Oc1cccc(Cl)c1 ZINC000422920491 230278728 /nfs/dbraw/zinc/27/87/28/230278728.db2.gz MFQGTTUBDZEUAN-NOXHYTERSA-N 1 3 312.841 2.449 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000422960050 230296021 /nfs/dbraw/zinc/29/60/21/230296021.db2.gz ALWGEKIZYISENB-GOEBONIOSA-N 1 3 311.433 2.173 20 0 DEADHO C[C@H]1CC[NH2+]C[C@H]1Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000422983647 230305949 /nfs/dbraw/zinc/30/59/49/230305949.db2.gz ULOGTATWVSOVHC-HNAYVOBHSA-N 1 3 317.477 2.301 20 0 DEADHO Cc1ccccc1C[C@H](CO)N[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423062533 230335352 /nfs/dbraw/zinc/33/53/52/230335352.db2.gz UJXQQYZTAQVPSZ-PWIZWCRZSA-N 1 3 312.457 2.447 20 0 DEADHO Cc1cccc(C[C@H](CO)N[C@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000423062291 230335743 /nfs/dbraw/zinc/33/57/43/230335743.db2.gz SUZFCZCKSAGMGN-NSISKUIASA-N 1 3 312.457 2.447 20 0 DEADHO C[C@](CO)(CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000423107597 230352496 /nfs/dbraw/zinc/35/24/96/230352496.db2.gz LBTRLEVWJDLZKV-NCXUSEDFSA-N 1 3 302.462 2.447 20 0 DEADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000423136421 230360869 /nfs/dbraw/zinc/36/08/69/230360869.db2.gz ZALNZXIGCCQGDS-WCQYABFASA-N 1 3 315.259 2.013 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)[C@H]1C ZINC001088898181 782030438 /nfs/dbraw/zinc/03/04/38/782030438.db2.gz SBAXUHLSLKNODJ-ZACQAIPSSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)[C@H]1C ZINC001088898181 782030445 /nfs/dbraw/zinc/03/04/45/782030445.db2.gz SBAXUHLSLKNODJ-ZACQAIPSSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)[C@@H]1C)N1CCCCCC1 ZINC001088897276 782030496 /nfs/dbraw/zinc/03/04/96/782030496.db2.gz BRBLYHFJKLYXEY-VYDXJSESSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CC2)[C@@H]1C)N1CCCCCC1 ZINC001088897276 782030503 /nfs/dbraw/zinc/03/05/03/782030503.db2.gz BRBLYHFJKLYXEY-VYDXJSESSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H](CC(=O)Nc1ccc2c(c1)CNCC2)C1CC[NH2+]CC1 ZINC000429348404 533684708 /nfs/dbraw/zinc/68/47/08/533684708.db2.gz IZXWWDLITLWKFC-CYBMUJFWSA-N 1 3 301.434 2.297 20 0 DEADHO CC[N@@H+]1CC[C@@H](NCCNc2ccc3ccccc3n2)[C@@H](C)C1 ZINC000358391726 424823067 /nfs/dbraw/zinc/82/30/67/424823067.db2.gz FMLPALBXLWUDAK-DOTOQJQBSA-N 1 3 312.461 2.967 20 0 DEADHO CC[N@H+]1CC[C@@H](NCCNc2ccc3ccccc3n2)[C@@H](C)C1 ZINC000358391726 424823068 /nfs/dbraw/zinc/82/30/68/424823068.db2.gz FMLPALBXLWUDAK-DOTOQJQBSA-N 1 3 312.461 2.967 20 0 DEADHO CCCN(C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)[C@@H]1CCN(C)C1 ZINC000637470210 424853076 /nfs/dbraw/zinc/85/30/76/424853076.db2.gz KGBJUIZXGNEGGK-IAGOWNOFSA-N 1 3 322.497 2.129 20 0 DEADHO CCCN(C(=O)NC[C@H]1CC[N@H+]1C1CCCC1)[C@@H]1CCN(C)C1 ZINC000637470210 424853078 /nfs/dbraw/zinc/85/30/78/424853078.db2.gz KGBJUIZXGNEGGK-IAGOWNOFSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@]1(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]C1 ZINC000390759132 424917843 /nfs/dbraw/zinc/91/78/43/424917843.db2.gz YJWIMILPOVNXQH-HKUYNNGSSA-N 1 3 315.461 2.014 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)CCC(C)(C)[NH3+])CN1Cc1ccccc1 ZINC000398102966 424922183 /nfs/dbraw/zinc/92/21/83/424922183.db2.gz ZWQACYZKMPEUIS-ZBFHGGJFSA-N 1 3 303.450 2.283 20 0 DEADHO C[C@H](C[C@@H]1CCC[NH2+]1)NCc1ccccc1OCCN(C)C ZINC000415086448 424948796 /nfs/dbraw/zinc/94/87/96/424948796.db2.gz SFTUFSURGHWBQC-WBVHZDCISA-N 1 3 305.466 2.247 20 0 DEADHO [NH3+][C@H]1C[C@@H](C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000649293841 424986510 /nfs/dbraw/zinc/98/65/10/424986510.db2.gz LMBRGWPSMPNTBR-IXDOHACOSA-N 1 3 301.434 2.067 20 0 DEADHO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@@H]2NCC2(C)C)CC1 ZINC000649315028 424991222 /nfs/dbraw/zinc/99/12/22/424991222.db2.gz DOUDHFCYNJQYQT-INIZCTEOSA-N 1 3 316.449 2.129 20 0 DEADHO CC[C@@]1(C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649342573 424996152 /nfs/dbraw/zinc/99/61/52/424996152.db2.gz ADUSOPGAXNRQMM-MJGOQNOKSA-N 1 3 315.461 2.252 20 0 DEADHO CCOc1ccc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)nc1 ZINC000650707937 425039017 /nfs/dbraw/zinc/03/90/17/425039017.db2.gz QEFUBNHJTFOGRX-MPGHIAIKSA-N 1 3 319.449 2.199 20 0 DEADHO CC(C)(C)n1cc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cn1 ZINC000650706435 425039051 /nfs/dbraw/zinc/03/90/51/425039051.db2.gz KOFIQLLMWQVXCI-GVDBMIGSSA-N 1 3 320.481 2.356 20 0 DEADHO CCOc1ccc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)nc1 ZINC000650707936 425039873 /nfs/dbraw/zinc/03/98/73/425039873.db2.gz QEFUBNHJTFOGRX-HDMKZQKVSA-N 1 3 319.449 2.199 20 0 DEADHO [NH3+]Cc1ccc(CNC2CCN(c3nccs3)CC2)c(F)c1 ZINC000650717717 425041001 /nfs/dbraw/zinc/04/10/01/425041001.db2.gz KGNNUWMNUQHFHW-UHFFFAOYSA-N 1 3 320.437 2.500 20 0 DEADHO CN(C)c1ncc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)s1 ZINC000650721969 425042440 /nfs/dbraw/zinc/04/24/40/425042440.db2.gz HJCNYRXILPXUGT-BPLDGKMQSA-N 1 3 324.494 2.070 20 0 DEADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2cncc(C)n2)[C@@H](C)C1 ZINC000649587451 425046028 /nfs/dbraw/zinc/04/60/28/425046028.db2.gz JSYLFZGCIWLPIV-MAUKXSAKSA-N 1 3 320.481 2.054 20 0 DEADHO CCOCCC[N@H+]1CC[C@@H](NCCc2cncc(C)n2)[C@@H](C)C1 ZINC000649587451 425046029 /nfs/dbraw/zinc/04/60/29/425046029.db2.gz JSYLFZGCIWLPIV-MAUKXSAKSA-N 1 3 320.481 2.054 20 0 DEADHO CC(=O)NCCCN(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000649603666 425050366 /nfs/dbraw/zinc/05/03/66/425050366.db2.gz ZNBDFHWWQUYKJL-INIZCTEOSA-N 1 3 323.506 2.336 20 0 DEADHO CC(=O)NCCCN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000649603666 425050369 /nfs/dbraw/zinc/05/03/69/425050369.db2.gz ZNBDFHWWQUYKJL-INIZCTEOSA-N 1 3 323.506 2.336 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)N(C)CCN1CCCCC1 ZINC000651197690 425116259 /nfs/dbraw/zinc/11/62/59/425116259.db2.gz XRLAFQSBYUITQS-UHFFFAOYSA-N 1 3 312.502 2.092 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)N(C)CCN1CCCCC1 ZINC000651197690 425116261 /nfs/dbraw/zinc/11/62/61/425116261.db2.gz XRLAFQSBYUITQS-UHFFFAOYSA-N 1 3 312.502 2.092 20 0 DEADHO CCCC(C)(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000651207167 425116672 /nfs/dbraw/zinc/11/66/72/425116672.db2.gz JXTDALBKHMQPRD-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO C[NH+](C)CCOC1CCN(Cc2cc3cnccc3o2)CC1 ZINC000651638019 425141942 /nfs/dbraw/zinc/14/19/42/425141942.db2.gz ISEQVTPTGNRPHW-UHFFFAOYSA-N 1 3 303.406 2.370 20 0 DEADHO O[C@@]1(CCNC2CC[NH+](C3CCCCC3)CC2)CCCOC1 ZINC000652041175 425167749 /nfs/dbraw/zinc/16/77/49/425167749.db2.gz VMLNMESMYOMEBR-GOSISDBHSA-N 1 3 310.482 2.305 20 0 DEADHO O[C@@]1(CC[NH2+]C2CCN(C3CCCCC3)CC2)CCCOC1 ZINC000652041175 425167752 /nfs/dbraw/zinc/16/77/52/425167752.db2.gz VMLNMESMYOMEBR-GOSISDBHSA-N 1 3 310.482 2.305 20 0 DEADHO C[C@H]([NH3+])c1ccc(CNCc2nc3c(s2)CNCC3)cc1 ZINC000663494062 425170343 /nfs/dbraw/zinc/17/03/43/425170343.db2.gz LPOAKEUNZKQQHI-NSHDSACASA-N 1 3 302.447 2.098 20 0 DEADHO CCCN(C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1)[C@H]1CCN(C)C1 ZINC000666753362 425174669 /nfs/dbraw/zinc/17/46/69/425174669.db2.gz USYVRWUSQRGETP-IRXDYDNUSA-N 1 3 324.513 2.233 20 0 DEADHO COCCCn1nccc1CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656783375 425189012 /nfs/dbraw/zinc/18/90/12/425189012.db2.gz QKSUMYWGNWVLQM-KRWDZBQOSA-N 1 3 320.481 2.131 20 0 DEADHO CCN(C(=O)Nc1ccccc1CC[NH+](C)C)[C@@H]1CCN(C)C1 ZINC000666839323 425195539 /nfs/dbraw/zinc/19/55/39/425195539.db2.gz UITCQQQXPNTKKU-MRXNPFEDSA-N 1 3 318.465 2.349 20 0 DEADHO CCC[N@H+](C)CC(C)(C)NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000663641218 425203740 /nfs/dbraw/zinc/20/37/40/425203740.db2.gz JQVMEZYHSWSPSP-HNNXBMFYSA-N 1 3 312.502 2.280 20 0 DEADHO CCC[N@@H+](C)CC(C)(C)NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000663641218 425203743 /nfs/dbraw/zinc/20/37/43/425203743.db2.gz JQVMEZYHSWSPSP-HNNXBMFYSA-N 1 3 312.502 2.280 20 0 DEADHO CC[N@@H+]1CC[C@H](NC[C@@]2(CO)CCc3ccccc32)[C@@H](C)C1 ZINC000651884098 425150718 /nfs/dbraw/zinc/15/07/18/425150718.db2.gz ZWRQDYVRGOIOIG-ZYSHUDEJSA-N 1 3 302.462 2.183 20 0 DEADHO CC[N@H+]1CC[C@H](NC[C@@]2(CO)CCc3ccccc32)[C@@H](C)C1 ZINC000651884098 425150719 /nfs/dbraw/zinc/15/07/19/425150719.db2.gz ZWRQDYVRGOIOIG-ZYSHUDEJSA-N 1 3 302.462 2.183 20 0 DEADHO C[NH2+]Cc1ccccc1CNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000652287466 425231072 /nfs/dbraw/zinc/23/10/72/425231072.db2.gz YLYPSLRYFAZTGQ-WMLDXEAASA-N 1 3 318.465 2.030 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC001423330780 1173251204 /nfs/dbraw/zinc/25/12/04/1173251204.db2.gz ZUUZQTJREYBDFC-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000660833063 425249888 /nfs/dbraw/zinc/24/98/88/425249888.db2.gz CYVSTPBYTPMAPP-HOTGVXAUSA-N 1 3 312.502 2.136 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001423330780 1173251215 /nfs/dbraw/zinc/25/12/15/1173251215.db2.gz ZUUZQTJREYBDFC-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO CN(CCN1CCCCC1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000652209445 425213800 /nfs/dbraw/zinc/21/38/00/425213800.db2.gz LOIYORLMMIADQF-UHFFFAOYSA-N 1 3 324.513 2.426 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000654375238 425335949 /nfs/dbraw/zinc/33/59/49/425335949.db2.gz XSNWPQPYOUMLLA-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO c1cc(O[C@@H]2CCOC2)ccc1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000657306977 425297298 /nfs/dbraw/zinc/29/72/98/425297298.db2.gz FJJLVGBXRKZXKF-VQIMIIECSA-N 1 3 316.445 2.428 20 0 DEADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000661010073 425298583 /nfs/dbraw/zinc/29/85/83/425298583.db2.gz PJYSFECOGYARKG-HZPDHXFCSA-N 1 3 322.497 2.056 20 0 DEADHO CC[C@H]1C[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CO1 ZINC000657497073 425350504 /nfs/dbraw/zinc/35/05/04/425350504.db2.gz UFRMOBRRVIEKQU-ROUUACIJSA-N 1 3 318.461 2.171 20 0 DEADHO C[C@H](NC(=O)N[C@H]1CCCN2CCCC[C@H]12)C1CC[NH+](C)CC1 ZINC000654452463 425356543 /nfs/dbraw/zinc/35/65/43/425356543.db2.gz SMPXRUKDNZCHBS-BHYGNILZSA-N 1 3 322.497 2.033 20 0 DEADHO Cc1cc(C)nc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000664315497 425358966 /nfs/dbraw/zinc/35/89/66/425358966.db2.gz RTXBNLDBIIQQFB-HNNXBMFYSA-N 1 3 321.469 2.092 20 0 DEADHO Cc1cc(C)nc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000664315497 425358970 /nfs/dbraw/zinc/35/89/70/425358970.db2.gz RTXBNLDBIIQQFB-HNNXBMFYSA-N 1 3 321.469 2.092 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000661370753 425392323 /nfs/dbraw/zinc/39/23/23/425392323.db2.gz TVXJHQRPLLSZAI-PMPSAXMXSA-N 1 3 322.497 2.175 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000661370753 425392326 /nfs/dbraw/zinc/39/23/26/425392326.db2.gz TVXJHQRPLLSZAI-PMPSAXMXSA-N 1 3 322.497 2.175 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCN2C(C)(C)C)C1 ZINC000661399487 425398053 /nfs/dbraw/zinc/39/80/53/425398053.db2.gz JLTMRBQMGRVVHH-JKSUJKDBSA-N 1 3 324.513 2.233 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCN2C(C)(C)C)C1 ZINC000661399487 425398057 /nfs/dbraw/zinc/39/80/57/425398057.db2.gz JLTMRBQMGRVVHH-JKSUJKDBSA-N 1 3 324.513 2.233 20 0 DEADHO c1c(CNCC2CC[NH+](CC3CC3)CC2)nn2c1CCCC2 ZINC000657814701 425405013 /nfs/dbraw/zinc/40/50/13/425405013.db2.gz KVCIHASFVVWJKE-UHFFFAOYSA-N 1 3 302.466 2.431 20 0 DEADHO CN(CCN1CCCCC1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000652990247 425373980 /nfs/dbraw/zinc/37/39/80/425373980.db2.gz LSFDETTUETYHHF-QGZVFWFLSA-N 1 3 307.482 2.338 20 0 DEADHO CN(CCN1CCCCC1)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000652990247 425373986 /nfs/dbraw/zinc/37/39/86/425373986.db2.gz LSFDETTUETYHHF-QGZVFWFLSA-N 1 3 307.482 2.338 20 0 DEADHO CC[C@H]1CCC[C@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664401411 425376872 /nfs/dbraw/zinc/37/68/72/425376872.db2.gz RUVOPVHBQIWCAU-HRCADAONSA-N 1 3 312.502 2.136 20 0 DEADHO CC[C@H]1CCC[C@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664401411 425376873 /nfs/dbraw/zinc/37/68/73/425376873.db2.gz RUVOPVHBQIWCAU-HRCADAONSA-N 1 3 312.502 2.136 20 0 DEADHO CCC[N@@H+]1CC[C@H](NC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000664425146 425382179 /nfs/dbraw/zinc/38/21/79/425382179.db2.gz HETOCFAFNTYLTL-INIZCTEOSA-N 1 3 304.438 2.354 20 0 DEADHO CCC[N@H+]1CC[C@H](NC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000664425146 425382183 /nfs/dbraw/zinc/38/21/83/425382183.db2.gz HETOCFAFNTYLTL-INIZCTEOSA-N 1 3 304.438 2.354 20 0 DEADHO C[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C1=CCN(C)CC1 ZINC000654991643 425479487 /nfs/dbraw/zinc/47/94/87/425479487.db2.gz WWOCPJVLABBHHQ-HNNXBMFYSA-N 1 3 315.461 2.171 20 0 DEADHO C[NH+]1CCC(C)(CNC(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000654731875 425427067 /nfs/dbraw/zinc/42/70/67/425427067.db2.gz OHQGXIZDJUBNHF-JKSUJKDBSA-N 1 3 322.497 2.034 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000661508337 425428653 /nfs/dbraw/zinc/42/86/53/425428653.db2.gz WALRRMVQEYWQLX-CVEARBPZSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000661508337 425428659 /nfs/dbraw/zinc/42/86/59/425428659.db2.gz WALRRMVQEYWQLX-CVEARBPZSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1cccc(OCCN(C)C)c1 ZINC000658159916 425448565 /nfs/dbraw/zinc/44/85/65/425448565.db2.gz MALRLYKLHMVGNK-CABCVRRESA-N 1 3 306.450 2.439 20 0 DEADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@@H]1CCCO1 ZINC000658165351 425449628 /nfs/dbraw/zinc/44/96/28/425449628.db2.gz IRSGIPDBAMPCLR-QAPCUYQASA-N 1 3 303.450 2.451 20 0 DEADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@@H]1CCOC1 ZINC000658164863 425450516 /nfs/dbraw/zinc/45/05/16/425450516.db2.gz FYWQHBXAKJMBGU-MAUKXSAKSA-N 1 3 303.450 2.308 20 0 DEADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@@H]1CCCO1 ZINC000658165353 425450649 /nfs/dbraw/zinc/45/06/49/425450649.db2.gz IRSGIPDBAMPCLR-YJBOKZPZSA-N 1 3 303.450 2.451 20 0 DEADHO CC(C)[C@H]([NH3+])CCNC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000658985820 425516219 /nfs/dbraw/zinc/51/62/19/425516219.db2.gz JFDURSKOZOPOHN-MRXNPFEDSA-N 1 3 322.453 2.122 20 0 DEADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000655245385 425523279 /nfs/dbraw/zinc/52/32/79/425523279.db2.gz MBGWYZFRKXLBHD-UAGQMJEPSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]([NH2+]CC1(N)CCCC1)c1cccc(N2CCOCC2)c1 ZINC000665248746 425528599 /nfs/dbraw/zinc/52/85/99/425528599.db2.gz BOQZCKJAJUYYCL-OAHLLOKOSA-N 1 3 303.450 2.445 20 0 DEADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2CN(C)C[C@H]2C)cc1 ZINC000665255295 425530521 /nfs/dbraw/zinc/53/05/21/425530521.db2.gz OEJJGEONIZWMCB-GRGSLBFTSA-N 1 3 317.477 2.071 20 0 DEADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2CCOC[C@H]2C)cc1F ZINC000665259367 425531003 /nfs/dbraw/zinc/53/10/03/425531003.db2.gz DADYKAYAWWEIQN-UOJCXKCYSA-N 1 3 322.424 2.294 20 0 DEADHO CCCN1CC[C@H](N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000665274182 425534279 /nfs/dbraw/zinc/53/42/79/425534279.db2.gz LLQYZXIHNNZOCV-VDZJLULYSA-N 1 3 315.461 2.316 20 0 DEADHO CC(C)[C@H](N)CC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000665281057 425535882 /nfs/dbraw/zinc/53/58/82/425535882.db2.gz SZDFKBGJFLSUMN-CGTJXYLNSA-N 1 3 304.482 2.255 20 0 DEADHO C[NH2+]CCCC(=O)N1CCC(N[C@H](C)c2cnc(C)s2)CC1 ZINC000665287299 425536251 /nfs/dbraw/zinc/53/62/51/425536251.db2.gz HOZCWMRCSVZZCS-GFCCVEGCSA-N 1 3 324.494 2.093 20 0 DEADHO C[C@@H]1CCNC[C@@H]1[NH2+]Cc1cccc(COC[C@@H]2CCCO2)c1 ZINC000665294406 425539061 /nfs/dbraw/zinc/53/90/61/425539061.db2.gz OBHZNNWLRUOBRE-MNEFBYGVSA-N 1 3 318.461 2.470 20 0 DEADHO NC1(C(=O)NCCCCC[NH+]2CCCCC2)CC2(CCC2)C1 ZINC000659280589 425565736 /nfs/dbraw/zinc/56/57/36/425565736.db2.gz JRDDAXHCPYIGEK-UHFFFAOYSA-N 1 3 307.482 2.420 20 0 DEADHO CCN(C(=O)[C@H](C)[NH2+]C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000655445723 425569379 /nfs/dbraw/zinc/56/93/79/425569379.db2.gz KCTJIKQWPCWDFB-YQQAZPJKSA-N 1 3 303.450 2.278 20 0 DEADHO CN(C)CCN(C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)C1CCCC1 ZINC000665556015 425596945 /nfs/dbraw/zinc/59/69/45/425596945.db2.gz PILVDEPGROHRGG-OAHLLOKOSA-N 1 3 324.513 2.375 20 0 DEADHO CN(C)CCN(C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)C1CCCC1 ZINC000665556015 425596947 /nfs/dbraw/zinc/59/69/47/425596947.db2.gz PILVDEPGROHRGG-OAHLLOKOSA-N 1 3 324.513 2.375 20 0 DEADHO C[C@@H]([NH2+]C[C@H]1CCC2(CNC2)O1)c1cccc(-n2cccn2)c1 ZINC000662281345 425611530 /nfs/dbraw/zinc/61/15/30/425611530.db2.gz JSNIBQQTNBXDHC-RHSMWYFYSA-N 1 3 312.417 2.044 20 0 DEADHO C[NH2+]C[C@@H](C)NC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000659454904 425608052 /nfs/dbraw/zinc/60/80/52/425608052.db2.gz PSGFPUWIWFFCCZ-KGLIPLIRSA-N 1 3 306.454 2.023 20 0 DEADHO C[NH+](C)CCc1ccc(NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000655750675 425645192 /nfs/dbraw/zinc/64/51/92/425645192.db2.gz UWVKPIXYJAPXJT-LJQANCHMSA-N 1 3 317.477 2.456 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662481355 425662871 /nfs/dbraw/zinc/66/28/71/425662871.db2.gz CDIMLKXAUVSACD-YJBOKZPZSA-N 1 3 315.461 2.411 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCCN(C[C@@H]3CCCO3)CC2)C1 ZINC000659837924 425665020 /nfs/dbraw/zinc/66/50/20/425665020.db2.gz ILJMOECVBBBCSW-QRVBRYPASA-N 1 3 323.525 2.151 20 0 DEADHO COc1ccc(CNC[C@H]2C[C@@H]([NH+](C)C)C2)c(OC)c1OC ZINC000655826426 425666558 /nfs/dbraw/zinc/66/65/58/425666558.db2.gz VREZMRAUUSTWHQ-XBXGTLAGSA-N 1 3 308.422 2.142 20 0 DEADHO CC[C@@H]([NH2+]C)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000662526058 425674264 /nfs/dbraw/zinc/67/42/64/425674264.db2.gz PKYMLJIADXTFNQ-IAGOWNOFSA-N 1 3 303.450 2.328 20 0 DEADHO CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000659474578 425612314 /nfs/dbraw/zinc/61/23/14/425612314.db2.gz VCEMOPGSGDGDCT-BRWVUGGUSA-N 1 3 318.465 2.104 20 0 DEADHO CC(C)CCNC(=O)[C@@H](C)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294583 425616019 /nfs/dbraw/zinc/61/60/19/425616019.db2.gz CNDQFUHVFJSHOP-NVXWUHKLSA-N 1 3 309.498 2.249 20 0 DEADHO C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295739 425616843 /nfs/dbraw/zinc/61/68/43/425616843.db2.gz RZEQHUWMTDNTNY-NXHRZFHOSA-N 1 3 321.509 2.393 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662337840 425627496 /nfs/dbraw/zinc/62/74/96/425627496.db2.gz VCOXCZPBUPUBLN-SZMVWBNQSA-N 1 3 313.445 2.212 20 0 DEADHO C(CN1CCCCCC1)[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000655685841 425627830 /nfs/dbraw/zinc/62/78/30/425627830.db2.gz QYJVMRMLZJTINQ-GOSISDBHSA-N 1 3 309.498 2.095 20 0 DEADHO C[C@@H](C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)N1CCC[C@@H](C)C1 ZINC000655690099 425629655 /nfs/dbraw/zinc/62/96/55/425629655.db2.gz VMNQEYQRBSQUJP-AOIWGVFYSA-N 1 3 323.525 2.340 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662356263 425630780 /nfs/dbraw/zinc/63/07/80/425630780.db2.gz ODHCBOIWVHJKFB-QGZVFWFLSA-N 1 3 301.434 2.210 20 0 DEADHO CCCCN1CCC([NH2+]C2CCN([C@H]3CCOC3)CC2)CC1 ZINC000655703777 425633237 /nfs/dbraw/zinc/63/32/37/425633237.db2.gz VGMPSTGDNSBRET-SFHVURJKSA-N 1 3 309.498 2.094 20 0 DEADHO CC[C@@H]1CCCCN1CC[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000655711649 425634530 /nfs/dbraw/zinc/63/45/30/425634530.db2.gz KFPNXBSUNRCZAZ-RTBURBONSA-N 1 3 323.525 2.484 20 0 DEADHO CN(C)c1cccc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655708527 425635299 /nfs/dbraw/zinc/63/52/99/425635299.db2.gz JYWQIRCUMOSZAF-LJQANCHMSA-N 1 3 317.477 2.486 20 0 DEADHO CC[NH+](CC)CCOc1ccc(NC(=O)CNC(C)C)cc1 ZINC000662378104 425636220 /nfs/dbraw/zinc/63/62/20/425636220.db2.gz XTPGJCOQRIUNAJ-UHFFFAOYSA-N 1 3 307.438 2.344 20 0 DEADHO CC(C)[C@H]([NH3+])CCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000659620117 425639010 /nfs/dbraw/zinc/63/90/10/425639010.db2.gz ATAPVVZHXQRUIV-MRXNPFEDSA-N 1 3 310.486 2.020 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)CC[C@@H]1C ZINC000665760098 425639909 /nfs/dbraw/zinc/63/99/09/425639909.db2.gz ZEAGCBLDTCEVIK-PMPSAXMXSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)CC[C@@H]1C ZINC000665760098 425639913 /nfs/dbraw/zinc/63/99/13/425639913.db2.gz ZEAGCBLDTCEVIK-PMPSAXMXSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](C)C[C@H]1C ZINC000665763536 425640257 /nfs/dbraw/zinc/64/02/57/425640257.db2.gz DVIAUYCMUSFSCM-OWCLPIDISA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](C)C[C@H]1C ZINC000665763536 425640261 /nfs/dbraw/zinc/64/02/61/425640261.db2.gz DVIAUYCMUSFSCM-OWCLPIDISA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC(C)(C)C(C)(C)C ZINC000665763198 425640513 /nfs/dbraw/zinc/64/05/13/425640513.db2.gz ZMWVIFWHYPYTAA-AWEZNQCLSA-N 1 3 314.518 2.382 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC(C)(C)C(C)(C)C ZINC000665763198 425640515 /nfs/dbraw/zinc/64/05/15/425640515.db2.gz ZMWVIFWHYPYTAA-AWEZNQCLSA-N 1 3 314.518 2.382 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC2(CCC2)CC1 ZINC000665762713 425641574 /nfs/dbraw/zinc/64/15/74/425641574.db2.gz NQDUSNWHBBXQPO-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC2(CCC2)CC1 ZINC000665762713 425641578 /nfs/dbraw/zinc/64/15/78/425641578.db2.gz NQDUSNWHBBXQPO-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO [NH3+]C1(CNC(=O)C[C@H]2NCc3ccccc32)CCCCCC1 ZINC000662398103 425641811 /nfs/dbraw/zinc/64/18/11/425641811.db2.gz OKUBUSZLWPALMR-MRXNPFEDSA-N 1 3 301.434 2.389 20 0 DEADHO NC1(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)CC2(CCC2)C1 ZINC000662813597 425742868 /nfs/dbraw/zinc/74/28/68/425742868.db2.gz ANDNEYUOQWLKTJ-UHFFFAOYSA-N 1 3 320.462 2.210 20 0 DEADHO CN(CC[NH+]1CCCCC1)C(=O)C[C@@H]1NCc2ccccc21 ZINC000662583693 425685721 /nfs/dbraw/zinc/68/57/21/425685721.db2.gz GWDRIGJYSRSYQN-KRWDZBQOSA-N 1 3 301.434 2.165 20 0 DEADHO CN(CC[NH+]1CCCCC1)C(=O)C[C@H]1NCc2ccccc21 ZINC000662583694 425686159 /nfs/dbraw/zinc/68/61/59/425686159.db2.gz GWDRIGJYSRSYQN-QGZVFWFLSA-N 1 3 301.434 2.165 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662593276 425689550 /nfs/dbraw/zinc/68/95/50/425689550.db2.gz NDTMFPGYSCQEDZ-WMLDXEAASA-N 1 3 315.461 2.458 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662593276 425689554 /nfs/dbraw/zinc/68/95/54/425689554.db2.gz NDTMFPGYSCQEDZ-WMLDXEAASA-N 1 3 315.461 2.458 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662618348 425695565 /nfs/dbraw/zinc/69/55/65/425695565.db2.gz AZGYFEMAODFPJL-GOEBONIOSA-N 1 3 301.434 2.210 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662618348 425695567 /nfs/dbraw/zinc/69/55/67/425695567.db2.gz AZGYFEMAODFPJL-GOEBONIOSA-N 1 3 301.434 2.210 20 0 DEADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000655966966 425695850 /nfs/dbraw/zinc/69/58/50/425695850.db2.gz JCLKGKQQMWUJAP-LUKYLMHMSA-N 1 3 322.497 2.068 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)[C@H]2[NH2+]CCC2(C)C)N(C)C)cc1 ZINC000662663985 425706541 /nfs/dbraw/zinc/70/65/41/425706541.db2.gz RKTIYJNPAABWMS-IAGOWNOFSA-N 1 3 317.477 2.356 20 0 DEADHO O=C(NCCC[NH+]1CCCCCC1)c1cc2c(s1)CCNC2 ZINC000662665437 425706627 /nfs/dbraw/zinc/70/66/27/425706627.db2.gz KIWJMIGOHBJRRG-UHFFFAOYSA-N 1 3 321.490 2.390 20 0 DEADHO C[NH+](C)C1(CNC(=O)C2(NC3CC3)CCC2)CCCCCC1 ZINC000662666801 425707852 /nfs/dbraw/zinc/70/78/52/425707852.db2.gz SWVICIRMHZZTGE-UHFFFAOYSA-N 1 3 307.482 2.432 20 0 DEADHO C[NH2+]CCc1ccccc1C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000662835048 425744360 /nfs/dbraw/zinc/74/43/60/425744360.db2.gz KGVAXXULHVQXDC-MSOLQXFVSA-N 1 3 315.461 2.195 20 0 DEADHO C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1 ZINC000662833784 425744398 /nfs/dbraw/zinc/74/43/98/425744398.db2.gz ADGVKBXYGDLTHL-RRQGHBQHSA-N 1 3 301.434 2.453 20 0 DEADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C[C@H]1NCc2ccccc21 ZINC000662694843 425714713 /nfs/dbraw/zinc/71/47/13/425714713.db2.gz UHLPKOBPFCWOGX-CRAIPNDOSA-N 1 3 315.461 2.458 20 0 DEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc3c2CNC3)C[C@@H]1C ZINC000662743549 425727140 /nfs/dbraw/zinc/72/71/40/425727140.db2.gz PAFKDPQJHDCGEL-DZGCQCFKSA-N 1 3 301.434 2.235 20 0 DEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc3c2CNC3)C[C@@H]1C ZINC000662743549 425727144 /nfs/dbraw/zinc/72/71/44/425727144.db2.gz PAFKDPQJHDCGEL-DZGCQCFKSA-N 1 3 301.434 2.235 20 0 DEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c(s2)CCNC3)[C@@H](C)C1 ZINC000662747078 425728021 /nfs/dbraw/zinc/72/80/21/425728021.db2.gz WVXDXXAOJZUZNT-GXTWGEPZSA-N 1 3 321.490 2.196 20 0 DEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc3c(s2)CCNC3)[C@@H](C)C1 ZINC000662747078 425728023 /nfs/dbraw/zinc/72/80/23/425728023.db2.gz WVXDXXAOJZUZNT-GXTWGEPZSA-N 1 3 321.490 2.196 20 0 DEADHO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000662872729 425753374 /nfs/dbraw/zinc/75/33/74/425753374.db2.gz PEZZMPCVDYLKIM-DLBZAZTESA-N 1 3 317.477 2.135 20 0 DEADHO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000662872729 425753377 /nfs/dbraw/zinc/75/33/77/425753377.db2.gz PEZZMPCVDYLKIM-DLBZAZTESA-N 1 3 317.477 2.135 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCCC3(CCOCC3)C2)CC1 ZINC000374305202 269092724 /nfs/dbraw/zinc/09/27/24/269092724.db2.gz HKPCHEOMYRSNLS-UHFFFAOYSA-N 1 3 323.525 2.295 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCCC3(CCOCC3)C2)CC1 ZINC000374305202 269092726 /nfs/dbraw/zinc/09/27/26/269092726.db2.gz HKPCHEOMYRSNLS-UHFFFAOYSA-N 1 3 323.525 2.295 20 0 DEADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](N)C1CCC1 ZINC000399069396 269110495 /nfs/dbraw/zinc/11/04/95/269110495.db2.gz NGHCLVFPJGJEHT-KRWDZBQOSA-N 1 3 303.450 2.272 20 0 DEADHO CS(=O)(=O)CC1CCC(N[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000423142902 269115660 /nfs/dbraw/zinc/11/56/60/269115660.db2.gz BOXFPKWIBSVTDF-DNDXXGFKSA-N 1 3 322.474 2.324 20 0 DEADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[NH2+]CCCN2CCCC2)C1 ZINC000495961641 269188517 /nfs/dbraw/zinc/18/85/17/269188517.db2.gz MFZGBLKSMGZPOT-YJBOKZPZSA-N 1 3 323.481 2.319 20 0 DEADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CNCCC[NH+]2CCCC2)C1 ZINC000495961641 269188518 /nfs/dbraw/zinc/18/85/18/269188518.db2.gz MFZGBLKSMGZPOT-YJBOKZPZSA-N 1 3 323.481 2.319 20 0 DEADHO CC(C)C[C@H](Cc1cccc(Cl)c1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000498677881 269302380 /nfs/dbraw/zinc/30/23/80/269302380.db2.gz KCTBUSQCKLUHOY-DJIMGWMZSA-N 1 3 310.869 2.467 20 0 DEADHO Cc1ncncc1[C@@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000514615007 269325104 /nfs/dbraw/zinc/32/51/04/269325104.db2.gz REPUITPCXGTGBX-QLFBSQMISA-N 1 3 306.454 2.325 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000514799698 269332362 /nfs/dbraw/zinc/33/23/62/269332362.db2.gz VHXHAZSQKNPEPZ-RDJZCZTQSA-N 1 3 324.513 2.314 20 0 DEADHO CCc1ccc(C[N@@H+]2CCC[C@H](n3cc(CN)nn3)C2)s1 ZINC000515615134 269352503 /nfs/dbraw/zinc/35/25/03/269352503.db2.gz RRGHBOVVKWZJRR-ZDUSSCGKSA-N 1 3 305.451 2.198 20 0 DEADHO CCc1ccc(C[N@H+]2CCC[C@H](n3cc(CN)nn3)C2)s1 ZINC000515615134 269352504 /nfs/dbraw/zinc/35/25/04/269352504.db2.gz RRGHBOVVKWZJRR-ZDUSSCGKSA-N 1 3 305.451 2.198 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000516313127 269361274 /nfs/dbraw/zinc/36/12/74/269361274.db2.gz KRDKWZAFACXQGA-HZPDHXFCSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000516313127 269361276 /nfs/dbraw/zinc/36/12/76/269361276.db2.gz KRDKWZAFACXQGA-HZPDHXFCSA-N 1 3 307.482 2.194 20 0 DEADHO COC(=O)c1ccc2c(c1)CN(C[C@@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC000414705653 274005054 /nfs/dbraw/zinc/00/50/54/274005054.db2.gz FVGFULXBUNMBCV-UONOGXRCSA-N 1 3 302.418 2.219 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)NC[C@]1(C)CCC[NH2+]C1 ZINC000423329649 274161903 /nfs/dbraw/zinc/16/19/03/274161903.db2.gz NABDKJSYKVQWCD-KBXCAEBGSA-N 1 3 319.449 2.392 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@]1(C)CCCNC1 ZINC000423329649 274161904 /nfs/dbraw/zinc/16/19/04/274161904.db2.gz NABDKJSYKVQWCD-KBXCAEBGSA-N 1 3 319.449 2.392 20 0 DEADHO C[C@@H]1CN(CCC(=O)N[C@H]2CCCc3ccccc32)CC[C@@H]1[NH3+] ZINC000430945039 274347325 /nfs/dbraw/zinc/34/73/25/274347325.db2.gz VTGVALNDVWEOFX-JLSDUUJJSA-N 1 3 315.461 2.239 20 0 DEADHO CC(C)[C@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)N(C)C ZINC000151791488 275694305 /nfs/dbraw/zinc/69/43/05/275694305.db2.gz PWXIHZAKYLUUIP-QGZVFWFLSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[C@H]1C[C@H]([NH2+]CC2(O)CCN(C(C)C)CC2)CS1 ZINC000488427211 275714490 /nfs/dbraw/zinc/71/44/90/275714490.db2.gz FUZNNMYEDFWMFJ-LSDHHAIUSA-N 1 3 300.512 2.341 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCCC[C@H]2C[NH3+])cc1 ZINC000418358213 276056508 /nfs/dbraw/zinc/05/65/08/276056508.db2.gz RESXHUPJRPVBHQ-IRXDYDNUSA-N 1 3 318.465 2.333 20 0 DEADHO CC1(C)C[NH2+]CC[C@H]1NCCC(=O)N1CCc2sccc2C1 ZINC000420355845 276138237 /nfs/dbraw/zinc/13/82/37/276138237.db2.gz FJDIRFAIWYKSHU-OAHLLOKOSA-N 1 3 321.490 2.001 20 0 DEADHO CC1(C)CNCC[C@H]1[NH2+]CCC(=O)N1CCc2sccc2C1 ZINC000420355845 276138238 /nfs/dbraw/zinc/13/82/38/276138238.db2.gz FJDIRFAIWYKSHU-OAHLLOKOSA-N 1 3 321.490 2.001 20 0 DEADHO CCCN(C)CC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000355568568 276245897 /nfs/dbraw/zinc/24/58/97/276245897.db2.gz CDNDCIXGQFQMJY-UHFFFAOYSA-N 1 3 307.438 2.044 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H](N)c2ccccc2)C1 ZINC000119749169 276247556 /nfs/dbraw/zinc/24/75/56/276247556.db2.gz XSRNIFHVDQCRDO-RDJZCZTQSA-N 1 3 303.450 2.267 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@H](N)c2ccccc2)C1 ZINC000119749169 276247557 /nfs/dbraw/zinc/24/75/57/276247557.db2.gz XSRNIFHVDQCRDO-RDJZCZTQSA-N 1 3 303.450 2.267 20 0 DEADHO CCN1CCC(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000411860629 276359864 /nfs/dbraw/zinc/35/98/64/276359864.db2.gz DYDYLAFXVZBSJR-OWCLPIDISA-N 1 3 309.498 2.391 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000439972315 276365869 /nfs/dbraw/zinc/36/58/69/276365869.db2.gz NSPNUMOTPHCLLV-DLBZAZTESA-N 1 3 307.482 2.384 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000439972315 276365870 /nfs/dbraw/zinc/36/58/70/276365870.db2.gz NSPNUMOTPHCLLV-DLBZAZTESA-N 1 3 307.482 2.384 20 0 DEADHO CO[C@H](CN)c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000356889505 277328897 /nfs/dbraw/zinc/32/88/97/277328897.db2.gz HVFISOBZCWSYIW-OAHLLOKOSA-N 1 3 316.405 2.369 20 0 DEADHO CC(=O)NCCc1ccc([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)cc1 ZINC000423506788 278118346 /nfs/dbraw/zinc/11/83/46/278118346.db2.gz IUQXVZWLLPKWDH-ZRGWGRIASA-N 1 3 317.477 2.343 20 0 DEADHO CC(=O)NCCc1ccc([C@H](C)[N@H+]2C[C@@H](C)[C@](C)(CN)C2)cc1 ZINC000423506788 278118347 /nfs/dbraw/zinc/11/83/47/278118347.db2.gz IUQXVZWLLPKWDH-ZRGWGRIASA-N 1 3 317.477 2.343 20 0 DEADHO C[C@H](C(=O)N(C)C)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000246040680 278133505 /nfs/dbraw/zinc/13/35/05/278133505.db2.gz OXMSRYDMQLDKPZ-JKSUJKDBSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H](C(=O)N(C)C)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000246040680 278133508 /nfs/dbraw/zinc/13/35/08/278133508.db2.gz OXMSRYDMQLDKPZ-JKSUJKDBSA-N 1 3 309.498 2.440 20 0 DEADHO CSc1ccc([C@@H](CNC(=O)NCC[C@H](C)[NH3+])N(C)C)cc1 ZINC000418230525 278174484 /nfs/dbraw/zinc/17/44/84/278174484.db2.gz JMXAKBZJXVMBOD-SWLSCSKDSA-N 1 3 324.494 2.048 20 0 DEADHO C[C@H]1CN(CCCC[NH2+]C2CCN(C3CC3)CC2)C[C@H](C)O1 ZINC000459383994 278431577 /nfs/dbraw/zinc/43/15/77/278431577.db2.gz HSEVQDQZLUBNCL-HOTGVXAUSA-N 1 3 309.498 2.092 20 0 DEADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000177865721 279038629 /nfs/dbraw/zinc/03/86/29/279038629.db2.gz KCAMRXGOUULBTP-IAGOWNOFSA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000177865721 279038632 /nfs/dbraw/zinc/03/86/32/279038632.db2.gz KCAMRXGOUULBTP-IAGOWNOFSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H]1SCCN(CCN2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000420308108 279072775 /nfs/dbraw/zinc/07/27/75/279072775.db2.gz SAAIHGMSVZKCGC-RDJZCZTQSA-N 1 3 305.491 2.070 20 0 DEADHO CC(C)C[C@H](C)C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414491334 279096535 /nfs/dbraw/zinc/09/65/35/279096535.db2.gz YRPSJPMGEAFJME-KRWDZBQOSA-N 1 3 311.514 2.055 20 0 DEADHO C[C@@H]1[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCCN1C ZINC000345327087 279124051 /nfs/dbraw/zinc/12/40/51/279124051.db2.gz STNWTRJOMJYHQO-HLLBOEOZSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCCN1C ZINC000345327087 279124053 /nfs/dbraw/zinc/12/40/53/279124053.db2.gz STNWTRJOMJYHQO-HLLBOEOZSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)C[C@H](CN(C)C)NC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000417084360 279127632 /nfs/dbraw/zinc/12/76/32/279127632.db2.gz ACRZMXOAMVWWQA-HUUCEWRRSA-N 1 3 312.502 2.040 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)C1 ZINC000340934631 279149823 /nfs/dbraw/zinc/14/98/23/279149823.db2.gz MCMGPHUFOGYRRB-YESZJQIVSA-N 1 3 324.513 2.375 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000418192769 279255818 /nfs/dbraw/zinc/25/58/18/279255818.db2.gz MVFFZBANPLGBRE-HLLBOEOZSA-N 1 3 318.465 2.076 20 0 DEADHO CCN1CCC([N@@H+]2CCCN(C[C@@H]3CC[C@H](C)O3)CC2)CC1 ZINC000420977387 279258480 /nfs/dbraw/zinc/25/84/80/279258480.db2.gz HXYQSVYEXRUNMF-WMZOPIPTSA-N 1 3 309.498 2.046 20 0 DEADHO CCN1CCC([N@H+]2CCCN(C[C@@H]3CC[C@H](C)O3)CC2)CC1 ZINC000420977387 279258484 /nfs/dbraw/zinc/25/84/84/279258484.db2.gz HXYQSVYEXRUNMF-WMZOPIPTSA-N 1 3 309.498 2.046 20 0 DEADHO CC(C)N(C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)C1CCCC1 ZINC000420330617 279280129 /nfs/dbraw/zinc/28/01/29/279280129.db2.gz QFOAQGMOKITETE-SJORKVTESA-N 1 3 321.509 2.488 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[C@H](C)C1 ZINC000444148977 279302639 /nfs/dbraw/zinc/30/26/39/279302639.db2.gz ZBVOIGAVHVBLSB-YESZJQIVSA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[C@H](C)C1 ZINC000444148977 279302641 /nfs/dbraw/zinc/30/26/41/279302641.db2.gz ZBVOIGAVHVBLSB-YESZJQIVSA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1C[C@@]1(C)CC ZINC000342574951 279302740 /nfs/dbraw/zinc/30/27/40/279302740.db2.gz QYXOMIBVEUFGMJ-JFIYKMOQSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1C[C@@]1(C)CC ZINC000342574951 279302741 /nfs/dbraw/zinc/30/27/41/279302741.db2.gz QYXOMIBVEUFGMJ-JFIYKMOQSA-N 1 3 309.498 2.297 20 0 DEADHO CCN1CCC[C@H](NC(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)C1 ZINC000438864771 279320665 /nfs/dbraw/zinc/32/06/65/279320665.db2.gz ZKKIVGQPLWZISB-IRXDYDNUSA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCC[C@H](NC(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)C1 ZINC000438864771 279320666 /nfs/dbraw/zinc/32/06/66/279320666.db2.gz ZKKIVGQPLWZISB-IRXDYDNUSA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCN(CCCC[NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000367094749 279356110 /nfs/dbraw/zinc/35/61/10/279356110.db2.gz QWSGQDGGLSLJEW-GOSISDBHSA-N 1 3 323.525 2.343 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000491006031 279376869 /nfs/dbraw/zinc/37/68/69/279376869.db2.gz RVGLYOAETRJBQM-QAETUUGQSA-N 1 3 324.513 2.087 20 0 DEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000491006031 279376871 /nfs/dbraw/zinc/37/68/71/279376871.db2.gz RVGLYOAETRJBQM-QAETUUGQSA-N 1 3 324.513 2.087 20 0 DEADHO C[C@H]1Cc2ccc(F)cc2[C@@H]1NCCC[NH+]1CCC(O)CC1 ZINC000151382000 280024445 /nfs/dbraw/zinc/02/44/45/280024445.db2.gz KQIIELAGPANANU-SCLBCKFNSA-N 1 3 306.425 2.495 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N(C)C ZINC000126501151 280157639 /nfs/dbraw/zinc/15/76/39/280157639.db2.gz JUDGKIPEFNULMB-USXIJHARSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N(C)C ZINC000126501151 280157644 /nfs/dbraw/zinc/15/76/44/280157644.db2.gz JUDGKIPEFNULMB-USXIJHARSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)N1CCCCC1 ZINC000361112980 280180890 /nfs/dbraw/zinc/18/08/90/280180890.db2.gz WZEZFQLGSODEIU-BRWVUGGUSA-N 1 3 307.482 2.001 20 0 DEADHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@@H]2NCCCC2(C)C)CC1 ZINC000424039432 281280973 /nfs/dbraw/zinc/28/09/73/281280973.db2.gz JUYOEPLYSZYCTA-CABCVRRESA-N 1 3 307.482 2.001 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)CC(C)(C)c1ccccc1 ZINC000103212661 281651514 /nfs/dbraw/zinc/65/15/14/281651514.db2.gz VMOARHJHFJFFER-UHFFFAOYSA-N 1 3 319.493 2.306 20 0 DEADHO C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccco1)N1CCCCCC1 ZINC000121226380 281753759 /nfs/dbraw/zinc/75/37/59/281753759.db2.gz SEGSWFDGXJOXEG-MRXNPFEDSA-N 1 3 321.465 2.434 20 0 DEADHO CN(C)[C@H]1CCCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000116566493 289177631 /nfs/dbraw/zinc/17/76/31/289177631.db2.gz HZNWGTDZRIFGGN-LSDHHAIUSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@H](C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)N1CCCCCC1 ZINC000424230018 289260411 /nfs/dbraw/zinc/26/04/11/289260411.db2.gz DTXZTXPGTZUFTP-JKSUJKDBSA-N 1 3 307.482 2.242 20 0 DEADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCCN3C3CCCC3)C2)C1 ZINC000346333206 290187442 /nfs/dbraw/zinc/18/74/42/290187442.db2.gz WWLYTJQKEWCQQN-IEBWSBKVSA-N 1 3 319.493 2.338 20 0 DEADHO C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCCN3C3CCCC3)C2)C1 ZINC000346333206 290187443 /nfs/dbraw/zinc/18/74/43/290187443.db2.gz WWLYTJQKEWCQQN-IEBWSBKVSA-N 1 3 319.493 2.338 20 0 DEADHO CN1CC[C@H]([NH2+]C2CN(C(=O)OC(C)(C)C)C2)[C@H]2CCC[C@H]21 ZINC000367638809 290214863 /nfs/dbraw/zinc/21/48/63/290214863.db2.gz QUMFJMNYXOOVLM-QLFBSQMISA-N 1 3 309.454 2.068 20 0 DEADHO COc1ccc(C)cc1C1(CN[C@H](C)C2C[NH2+]C2)CCOCC1 ZINC000422905167 295104659 /nfs/dbraw/zinc/10/46/59/295104659.db2.gz YRTOVLQVLAFVFT-OAHLLOKOSA-N 1 3 318.461 2.249 20 0 DEADHO COc1ccc(C)cc1C1(C[NH2+][C@H](C)C2CNC2)CCOCC1 ZINC000422905167 295104661 /nfs/dbraw/zinc/10/46/61/295104661.db2.gz YRTOVLQVLAFVFT-OAHLLOKOSA-N 1 3 318.461 2.249 20 0 DEADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1ccc(C2CC2)cc1 ZINC000414761270 295225804 /nfs/dbraw/zinc/22/58/04/295225804.db2.gz IOOIHAIDRVFWRF-SFHVURJKSA-N 1 3 315.461 2.384 20 0 DEADHO [NH3+]CC[C@@H]1CCCN(CC(=O)NC2(c3ccccc3)CCC2)C1 ZINC000443070407 295237777 /nfs/dbraw/zinc/23/77/77/295237777.db2.gz LFCKDXYDRIAVGB-INIZCTEOSA-N 1 3 315.461 2.243 20 0 DEADHO COc1ccc([C@H](CN2CCCC2)NC(=O)CC[C@@H](C)[NH3+])cc1 ZINC000423892933 295241534 /nfs/dbraw/zinc/24/15/34/295241534.db2.gz KRPHKLCRAZAXDI-PBHICJAKSA-N 1 3 319.449 2.076 20 0 DEADHO C[C@@]1(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CCC[NH2+]C1 ZINC000119866656 297869400 /nfs/dbraw/zinc/86/94/00/297869400.db2.gz FQAKLEPRVYNFDM-WMLDXEAASA-N 1 3 321.490 2.391 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000371415774 298561996 /nfs/dbraw/zinc/56/19/96/298561996.db2.gz GKGWQXFCOVCQID-MRXNPFEDSA-N 1 3 322.497 2.131 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC(C)(C)[NH3+])N(C)C ZINC000418182628 302200849 /nfs/dbraw/zinc/20/08/49/302200849.db2.gz NBVXTQQLIYXOJF-HIFRSBDPSA-N 1 3 306.454 2.023 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H]([NH3+])C(C)C)N(C)C ZINC000418162237 302204985 /nfs/dbraw/zinc/20/49/85/302204985.db2.gz CMFUGZSZPLAECH-XIRDDKMYSA-N 1 3 320.481 2.269 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@H]([NH3+])C1CC1)N(C)C ZINC000418177601 302205165 /nfs/dbraw/zinc/20/51/65/302205165.db2.gz HYJAKHXYQUBVOH-XKQJLSEDSA-N 1 3 318.465 2.023 20 0 DEADHO Cn1c2ccc(CNCCCCC[NH+]3CCCC3)cc2oc1=O ZINC000354241680 302900829 /nfs/dbraw/zinc/90/08/29/302900829.db2.gz XNFIAKNLZNZHHI-UHFFFAOYSA-N 1 3 317.433 2.487 20 0 DEADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cccc(N2CCOCC2)c1 ZINC000574803554 326188379 /nfs/dbraw/zinc/18/83/79/326188379.db2.gz LRYSVYZPYUSKGB-ZTFGCOKTSA-N 1 3 303.450 2.444 20 0 DEADHO CCOC(=O)COc1ccc(CN2CCC(CC[NH3+])CC2)cc1 ZINC000575050208 326213466 /nfs/dbraw/zinc/21/34/66/326213466.db2.gz BHBAGKRVLMYUGO-UHFFFAOYSA-N 1 3 320.433 2.189 20 0 DEADHO Cc1cc(C)cc(OC[C@@H](O)CNC2CC[NH+](C3CC3)CC2)c1 ZINC000575861659 326251472 /nfs/dbraw/zinc/25/14/72/326251472.db2.gz FDONDDZVIRUHMG-SFHVURJKSA-N 1 3 318.461 2.260 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@H](O)CCOC(C)C)C1 ZINC000577098805 326342791 /nfs/dbraw/zinc/34/27/91/326342791.db2.gz JGRHXHCCFIKPLX-IAGOWNOFSA-N 1 3 300.487 2.120 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@H](O)CCOC(C)C)C1 ZINC000577098805 326342793 /nfs/dbraw/zinc/34/27/93/326342793.db2.gz JGRHXHCCFIKPLX-IAGOWNOFSA-N 1 3 300.487 2.120 20 0 DEADHO CC(C)CN1CCC[C@H](C[NH2+]C[C@H](O)CCOC(C)C)C1 ZINC000577098805 326342795 /nfs/dbraw/zinc/34/27/95/326342795.db2.gz JGRHXHCCFIKPLX-IAGOWNOFSA-N 1 3 300.487 2.120 20 0 DEADHO O=C(NCCN1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000582863145 337208841 /nfs/dbraw/zinc/20/88/41/337208841.db2.gz SOGYEOLWADCGBQ-GOSISDBHSA-N 1 3 315.461 2.111 20 0 DEADHO O=C(NCCN1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000582863145 337208842 /nfs/dbraw/zinc/20/88/42/337208842.db2.gz SOGYEOLWADCGBQ-GOSISDBHSA-N 1 3 315.461 2.111 20 0 DEADHO N[C@@H]1C[C@@H]([NH2+]CCc2nnc3n2CCCCC3)c2ccccc21 ZINC000583137838 337243414 /nfs/dbraw/zinc/24/34/14/337243414.db2.gz HMOWRKZKLLGJLN-HZPDHXFCSA-N 1 3 311.433 2.281 20 0 DEADHO Cc1ncc2c(n1)CC[C@H](N[C@H](Cc1ccccc1)[C@@H](C)[NH3+])C2 ZINC000583198204 337267867 /nfs/dbraw/zinc/26/78/67/337267867.db2.gz RNQAVGVROYOUDH-XVGQJIODSA-N 1 3 310.445 2.190 20 0 DEADHO CC(C)[C@H](C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)[C@H](C)[NH3+] ZINC000399356979 337315786 /nfs/dbraw/zinc/31/57/86/337315786.db2.gz GAISLXMBNQJJKK-SZMVWBNQSA-N 1 3 317.477 2.339 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000583861347 337353331 /nfs/dbraw/zinc/35/33/31/337353331.db2.gz QKWQCXDZGOWLAI-WMLDXEAASA-N 1 3 303.450 2.145 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC(C)(C)C(C)(C)C ZINC000584575085 337365903 /nfs/dbraw/zinc/36/59/03/337365903.db2.gz BQGMLDFAIBHWET-UHFFFAOYSA-N 1 3 314.518 2.194 20 0 DEADHO CC[C@@H](C)C[NH2+]CC1(NC(=O)Cc2nc[nH]c2C)CCCC1 ZINC001378375060 1152309132 /nfs/dbraw/zinc/30/91/32/1152309132.db2.gz QEZBIMGTSHFOFN-CYBMUJFWSA-N 1 3 306.454 2.325 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@](C)(C[NH2+]Cc1ccccc1)C1CC1 ZINC001378426819 1152324152 /nfs/dbraw/zinc/32/41/52/1152324152.db2.gz WBYUKTXKYGIONE-IBGZPJMESA-N 1 3 317.477 2.401 20 0 DEADHO CC[C@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001378436442 1152327621 /nfs/dbraw/zinc/32/76/21/1152327621.db2.gz DKJHRJZPASSRIQ-VGWMRTNUSA-N 1 3 315.477 2.338 20 0 DEADHO C[C@H](F)CC[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001378454718 1152336162 /nfs/dbraw/zinc/33/61/62/1152336162.db2.gz XYAGVZVDVQJTPD-QKPAOTATSA-N 1 3 313.461 2.093 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[N@H+](C)CC1CC(C)(C)C1 ZINC001378136552 1161045853 /nfs/dbraw/zinc/04/58/53/1161045853.db2.gz FHZLLKXTCBPUBN-HUUCEWRRSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[N@@H+](C)CC1CC(C)(C)C1 ZINC001378136552 1161045865 /nfs/dbraw/zinc/04/58/65/1161045865.db2.gz FHZLLKXTCBPUBN-HUUCEWRRSA-N 1 3 309.498 2.201 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C[NH2+]Cc1cccnc1)C(C)(C)C ZINC001369557397 1149038292 /nfs/dbraw/zinc/03/82/92/1149038292.db2.gz TZEKMKDNRPUFQM-INIZCTEOSA-N 1 3 320.481 2.044 20 0 DEADHO CC/C=C/CC[NH+]1CC([C@H](C)NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001330055204 1149042288 /nfs/dbraw/zinc/04/22/88/1149042288.db2.gz UJBTWICTPPCWBV-QDNWOOLPSA-N 1 3 307.482 2.121 20 0 DEADHO C[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)[C@@H]1CCCCN1 ZINC000422695320 533808473 /nfs/dbraw/zinc/80/84/73/533808473.db2.gz PKHLZDATDZAIHC-YJBOKZPZSA-N 1 3 302.466 2.166 20 0 DEADHO C[C@H](NC1CCN(Cc2ccncc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422695320 533808482 /nfs/dbraw/zinc/80/84/82/533808482.db2.gz PKHLZDATDZAIHC-YJBOKZPZSA-N 1 3 302.466 2.166 20 0 DEADHO C[C@@H](CNC(=O)NC[C@@H](N)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000417309148 533960254 /nfs/dbraw/zinc/96/02/54/533960254.db2.gz IHZGDPABPHZOHY-DOTOQJQBSA-N 1 3 318.465 2.106 20 0 DEADHO C[C@@H](CNC(=O)N[C@H](CN)c1ccc2ccccc2c1)[NH+](C)C ZINC000418269164 533989013 /nfs/dbraw/zinc/98/90/13/533989013.db2.gz XXHVCEUPWLOCBU-SUMWQHHRSA-N 1 3 314.433 2.089 20 0 DEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000423014272 534068026 /nfs/dbraw/zinc/06/80/26/534068026.db2.gz OOYSDDRYKMZTRL-NJAFHUGGSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000422960512 534071048 /nfs/dbraw/zinc/07/10/48/534071048.db2.gz WPJSEQDCAGBDQQ-CRAIPNDOSA-N 1 3 315.461 2.287 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(CN2CCCC2=O)cc1 ZINC000422721655 534075171 /nfs/dbraw/zinc/07/51/71/534075171.db2.gz VYRWFSXJZGYNJN-CRAIPNDOSA-N 1 3 315.461 2.287 20 0 DEADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H]1CCc2ccccc21 ZINC001378841549 1152464082 /nfs/dbraw/zinc/46/40/82/1152464082.db2.gz JTDWWLDEHAGCQQ-CRAIPNDOSA-N 1 3 317.477 2.452 20 0 DEADHO Cc1cc(C[NH+](C)C)cc(N[C@@H](C2CC2)[C@@H]2CNCCO2)c1 ZINC000423028151 534165404 /nfs/dbraw/zinc/16/54/04/534165404.db2.gz QFWOPHMKQPAGRR-ROUUACIJSA-N 1 3 303.450 2.236 20 0 DEADHO C[C@H]([NH3+])C1CCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)CC1 ZINC000417793340 534172696 /nfs/dbraw/zinc/17/26/96/534172696.db2.gz ZXVVSQUFRMOFJO-BBRMVZONSA-N 1 3 303.450 2.298 20 0 DEADHO C[C@@H]1C[C@@H](C)N(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C[NH3+] ZINC000424080202 518180433 /nfs/dbraw/zinc/18/04/33/518180433.db2.gz VIRWFHPOOOMGBH-CPUCHLNUSA-N 1 3 303.450 2.194 20 0 DEADHO CC(C)C[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000163624578 519366852 /nfs/dbraw/zinc/36/68/52/519366852.db2.gz YTCKPTXIJMEGQC-KBPBESRZSA-N 1 3 309.479 2.375 20 0 DEADHO O[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000294895980 534443486 /nfs/dbraw/zinc/44/34/86/534443486.db2.gz REVRQDGKHUSHEE-ZSXDVEMLSA-N 1 3 300.446 2.400 20 0 DEADHO O[C@H]1C[C@@H](N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000294895980 534443491 /nfs/dbraw/zinc/44/34/91/534443491.db2.gz REVRQDGKHUSHEE-ZSXDVEMLSA-N 1 3 300.446 2.400 20 0 DEADHO O[C@H]1C[C@@H](N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000294895980 534443495 /nfs/dbraw/zinc/44/34/95/534443495.db2.gz REVRQDGKHUSHEE-ZSXDVEMLSA-N 1 3 300.446 2.400 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000246223969 519675514 /nfs/dbraw/zinc/67/55/14/519675514.db2.gz BOWRMGLQEBJADC-DOTOQJQBSA-N 1 3 303.450 2.313 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000246223969 519675517 /nfs/dbraw/zinc/67/55/17/519675517.db2.gz BOWRMGLQEBJADC-DOTOQJQBSA-N 1 3 303.450 2.313 20 0 DEADHO c1[nH]c2ccccc2c1CCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422737630 534460326 /nfs/dbraw/zinc/46/03/26/534460326.db2.gz ZZKSHZGZQXNWNY-YTQUADARSA-N 1 3 313.445 2.457 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)NC2CCN(CC)CC2)CC1 ZINC000338274978 520571996 /nfs/dbraw/zinc/57/19/96/520571996.db2.gz NUNQMZAEPDJODO-UHFFFAOYSA-N 1 3 310.486 2.034 20 0 DEADHO CCN1CCC(NC(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000338281147 521574300 /nfs/dbraw/zinc/57/43/00/521574300.db2.gz FBCPQHUOYPISEN-HRCADAONSA-N 1 3 324.513 2.136 20 0 DEADHO CN(C)[C@H](CNC(=O)NCCC[NH+]1CCCC1)c1ccccc1 ZINC000339332734 522075599 /nfs/dbraw/zinc/07/55/99/522075599.db2.gz GNSLMQAYYOVFKG-QGZVFWFLSA-N 1 3 318.465 2.074 20 0 DEADHO [NH3+]CC[C@H]1CCCN(CC(=O)NCc2cccc(Cl)c2)C1 ZINC000443065138 534654952 /nfs/dbraw/zinc/65/49/52/534654952.db2.gz ZLMDHWDORKKTQP-CYBMUJFWSA-N 1 3 309.841 2.017 20 0 DEADHO CCn1nc(C)c(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c1C ZINC000105424511 523644082 /nfs/dbraw/zinc/64/40/82/523644082.db2.gz VOQBYFMVJRCPFI-GJZGRUSLSA-N 1 3 322.497 2.499 20 0 DEADHO CN(C(=O)C[C@H]1CCC[NH2+]1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000246272875 523846211 /nfs/dbraw/zinc/84/62/11/523846211.db2.gz LYUMMLDWUQXJCW-MSOLQXFVSA-N 1 3 315.461 2.252 20 0 DEADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CCN[C@@H](C)[C@@H]2C)CC1 ZINC000417856029 527722916 /nfs/dbraw/zinc/72/29/16/527722916.db2.gz WAWQHSMVFNVVIZ-HOTGVXAUSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418236943 528311893 /nfs/dbraw/zinc/31/18/93/528311893.db2.gz MZXCYKWQQYZXRQ-IRXDYDNUSA-N 1 3 324.513 2.328 20 0 DEADHO CC(C)[C@@H](CN[C@H](C)C[C@H]1COCCN1)[NH+]1CCCCCC1 ZINC000422964872 528465551 /nfs/dbraw/zinc/46/55/51/528465551.db2.gz MXOZKWXMOHUADE-FGTMMUONSA-N 1 3 311.514 2.244 20 0 DEADHO CC(C)[C@@H](C[NH2+][C@H](C)C[C@H]1COCCN1)N1CCCCCC1 ZINC000422964872 528465554 /nfs/dbraw/zinc/46/55/54/528465554.db2.gz MXOZKWXMOHUADE-FGTMMUONSA-N 1 3 311.514 2.244 20 0 DEADHO CC[N@H+](CCNC(=O)NCCN1CCCC(C)(C)C1)C(C)C ZINC000445018992 528492421 /nfs/dbraw/zinc/49/24/21/528492421.db2.gz UMOGJJJVGSMNNK-UHFFFAOYSA-N 1 3 312.502 2.138 20 0 DEADHO CC[N@@H+](CCNC(=O)NCCN1CCCC(C)(C)C1)C(C)C ZINC000445018992 528492425 /nfs/dbraw/zinc/49/24/25/528492425.db2.gz UMOGJJJVGSMNNK-UHFFFAOYSA-N 1 3 312.502 2.138 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418389650 528779736 /nfs/dbraw/zinc/77/97/36/528779736.db2.gz WOJXPAQISABHNF-QGZVFWFLSA-N 1 3 318.465 2.032 20 0 DEADHO CCC([NH3+])(CC)CNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000418177967 528938788 /nfs/dbraw/zinc/93/87/88/528938788.db2.gz IBWOSCCXUDUQGN-HOCLYGCPSA-N 1 3 320.481 2.495 20 0 DEADHO CCN1CCC(NC(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000416858752 528983552 /nfs/dbraw/zinc/98/35/52/528983552.db2.gz SXDRMNXBKDNGIO-QGZVFWFLSA-N 1 3 318.465 2.250 20 0 DEADHO CCN(C(=O)NCC(C)(C)[NH3+])[C@H]1CCN(Cc2ccccc2)C1 ZINC000418431191 528987517 /nfs/dbraw/zinc/98/75/17/528987517.db2.gz QHAVZFXCRYKTMI-INIZCTEOSA-N 1 3 318.465 2.030 20 0 DEADHO CCN(C(=O)NCCCC[NH3+])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418507039 528991056 /nfs/dbraw/zinc/99/10/56/528991056.db2.gz IEJKKWCVPZZQDK-QGZVFWFLSA-N 1 3 318.465 2.031 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cccs1 ZINC000299729414 529070722 /nfs/dbraw/zinc/07/07/22/529070722.db2.gz VWNZPCVKUDONFE-OAHLLOKOSA-N 1 3 323.506 2.165 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cccs1 ZINC000299729414 529070728 /nfs/dbraw/zinc/07/07/28/529070728.db2.gz VWNZPCVKUDONFE-OAHLLOKOSA-N 1 3 323.506 2.165 20 0 DEADHO CCN1CCN(Cc2ccc(CN[C@@H](C)C[C@H](C)[NH3+])cc2)CC1 ZINC000422896318 529148812 /nfs/dbraw/zinc/14/88/12/529148812.db2.gz XQTDTTDNTNNYQR-IRXDYDNUSA-N 1 3 318.509 2.040 20 0 DEADHO CC[C@@H](NCc1ccccc1OCCN(C)C)[C@@H]1CCC[NH2+]1 ZINC000422824107 529186565 /nfs/dbraw/zinc/18/65/65/529186565.db2.gz MWQPYTHXJVMHSA-SJORKVTESA-N 1 3 305.466 2.247 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000189857475 529200686 /nfs/dbraw/zinc/20/06/86/529200686.db2.gz HQMWNLCMEXBZOA-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000417711616 529272595 /nfs/dbraw/zinc/27/25/95/529272595.db2.gz YKOSBGZLCPKNCR-GDBMZVCRSA-N 1 3 310.486 2.020 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000417696035 529272744 /nfs/dbraw/zinc/27/27/44/529272744.db2.gz GKVJUPGIWLWEEC-HRCADAONSA-N 1 3 310.486 2.020 20 0 DEADHO CC[C@H](CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])Oc1cccc(F)c1 ZINC000422847718 529369805 /nfs/dbraw/zinc/36/98/05/529369805.db2.gz IVMNKUNUSGCYSS-LBRJOISOSA-N 1 3 310.413 2.325 20 0 DEADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H](C)CN(C)C ZINC000349845969 535611287 /nfs/dbraw/zinc/61/12/87/535611287.db2.gz JXBRWOCTMOVTHR-OAHLLOKOSA-N 1 3 320.481 2.278 20 0 DEADHO CCN(C(=O)CC[NH2+]C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000262380518 535661206 /nfs/dbraw/zinc/66/12/06/535661206.db2.gz MVIFLYBIMQNZNL-WBVHZDCISA-N 1 3 303.450 2.280 20 0 DEADHO CN(C)CCN1CCC([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000348260637 535872069 /nfs/dbraw/zinc/87/20/69/535872069.db2.gz CWERZUNDSDOGHR-HKUYNNGSSA-N 1 3 301.478 2.406 20 0 DEADHO CNC(=O)[C@H]1CCC[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000358252215 536390079 /nfs/dbraw/zinc/39/00/79/536390079.db2.gz SILKPFJTVPNLIK-IRXDYDNUSA-N 1 3 307.482 2.288 20 0 DEADHO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000358252215 536390081 /nfs/dbraw/zinc/39/00/81/536390081.db2.gz SILKPFJTVPNLIK-IRXDYDNUSA-N 1 3 307.482 2.288 20 0 DEADHO CO[C@@]1(C[NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)CCOC1 ZINC000359406942 536834343 /nfs/dbraw/zinc/83/43/43/536834343.db2.gz AZIFVRJPVFCTTL-MAUKXSAKSA-N 1 3 322.449 2.083 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CCC1CC1 ZINC001369752465 1149143661 /nfs/dbraw/zinc/14/36/61/1149143661.db2.gz RETUKYPCXOJWJO-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+]C[C@H]1CCC(F)(F)C1)N(C)C ZINC001368722949 1148617000 /nfs/dbraw/zinc/61/70/00/1148617000.db2.gz MGQKAJSRLJUJMS-MELADBBJSA-N 1 3 319.440 2.246 20 0 DEADHO C[C@@H](CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CC1CC1 ZINC001379211310 1152591066 /nfs/dbraw/zinc/59/10/66/1152591066.db2.gz BTXCSEWGKXDERX-GUYCJALGSA-N 1 3 313.461 2.045 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccccc1C)N(C)C ZINC001379549169 1152640350 /nfs/dbraw/zinc/64/03/50/1152640350.db2.gz BRFLIZGQSQABBX-ZOBUZTSGSA-N 1 3 305.466 2.491 20 0 DEADHO Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CN(C)C(C)C)C2)c1 ZINC001379593767 1152648227 /nfs/dbraw/zinc/64/82/27/1152648227.db2.gz YDEPHRLJOQJGKF-SJLPKXTDSA-N 1 3 317.477 2.414 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC001361807151 1152746591 /nfs/dbraw/zinc/74/65/91/1152746591.db2.gz UFUFICBDDHRCMA-GVDBMIGSSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC001361807151 1152746595 /nfs/dbraw/zinc/74/65/95/1152746595.db2.gz UFUFICBDDHRCMA-GVDBMIGSSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824578788 609167285 /nfs/dbraw/zinc/16/72/85/609167285.db2.gz WGCZJPDSQIAIQH-CYBMUJFWSA-N 1 3 314.437 2.249 20 0 DEADHO C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824578788 609167286 /nfs/dbraw/zinc/16/72/86/609167286.db2.gz WGCZJPDSQIAIQH-CYBMUJFWSA-N 1 3 314.437 2.249 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001380474377 1152818500 /nfs/dbraw/zinc/81/85/00/1152818500.db2.gz WBPLKPKASJYLJQ-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[N@H+]1CCC[C@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001380474377 1152818502 /nfs/dbraw/zinc/81/85/02/1152818502.db2.gz WBPLKPKASJYLJQ-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)CC1(C)C)N(C)C ZINC001381135818 1152922366 /nfs/dbraw/zinc/92/23/66/1152922366.db2.gz RDTKOLAFGHDSTJ-HOTGVXAUSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CC2)CC1(C)C)N(C)C ZINC001381135818 1152922372 /nfs/dbraw/zinc/92/23/72/1152922372.db2.gz RDTKOLAFGHDSTJ-HOTGVXAUSA-N 1 3 309.498 2.199 20 0 DEADHO CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001023632961 625364772 /nfs/dbraw/zinc/36/47/72/625364772.db2.gz SDQVQQNPXZQJBW-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001023632961 625364775 /nfs/dbraw/zinc/36/47/75/625364775.db2.gz SDQVQQNPXZQJBW-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001008166219 625367371 /nfs/dbraw/zinc/36/73/71/625367371.db2.gz ZELURJKQWQBLGL-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001008166219 625367374 /nfs/dbraw/zinc/36/73/74/625367374.db2.gz ZELURJKQWQBLGL-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CC)C1 ZINC001023696557 625393093 /nfs/dbraw/zinc/39/30/93/625393093.db2.gz PNUQZFBBFRUHJD-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC)C1 ZINC001023696557 625393096 /nfs/dbraw/zinc/39/30/96/625393096.db2.gz PNUQZFBBFRUHJD-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(Cl)nc2)CC1 ZINC000179105100 625402185 /nfs/dbraw/zinc/40/21/85/625402185.db2.gz NMAXQFXOCMKXIK-UONOGXRCSA-N 1 3 310.873 2.412 20 0 DEADHO CC[NH2+]C1CCC(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001026559377 625524505 /nfs/dbraw/zinc/52/45/05/625524505.db2.gz JKDCGIYBDYEKFH-MQBCKMQZSA-N 1 3 313.461 2.236 20 0 DEADHO CS(=O)(=O)C1(CN[C@H](CCC[NH3+])c2ccccc2)CCC1 ZINC000925662930 625568967 /nfs/dbraw/zinc/56/89/67/625568967.db2.gz MHXLPVCNTVWTIZ-OAHLLOKOSA-N 1 3 310.463 2.024 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC[C@@H]([NH2+]CC3CCCC3)C2)C1 ZINC000969955034 623018622 /nfs/dbraw/zinc/01/86/22/623018622.db2.gz LDQMUBRRNJLPLV-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cc(C)ccc2C)C1)N(C)C ZINC000969986450 623039186 /nfs/dbraw/zinc/03/91/86/623039186.db2.gz ZQJXDFPHPQEORU-MSOLQXFVSA-N 1 3 317.477 2.334 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCC2)C1 ZINC000970529366 623523545 /nfs/dbraw/zinc/52/35/45/623523545.db2.gz PWZOJRIUDUKDIP-MAUKXSAKSA-N 1 3 321.509 2.486 20 0 DEADHO C[C@H]1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CCC2)C1 ZINC001021380330 623578103 /nfs/dbraw/zinc/57/81/03/623578103.db2.gz BDUYHYFXQYUUKA-MIGBEJBISA-N 1 3 319.493 2.240 20 0 DEADHO C[C@H]1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CCC2)C1 ZINC001021380330 623578105 /nfs/dbraw/zinc/57/81/05/623578105.db2.gz BDUYHYFXQYUUKA-MIGBEJBISA-N 1 3 319.493 2.240 20 0 DEADHO CC(C)[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021670604 623930700 /nfs/dbraw/zinc/93/07/00/623930700.db2.gz MWQXYLJBCTWMRZ-IRXDYDNUSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021670604 623930708 /nfs/dbraw/zinc/93/07/08/623930708.db2.gz MWQXYLJBCTWMRZ-IRXDYDNUSA-N 1 3 321.509 2.440 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCC2CCCC2)C1 ZINC000971200326 624068140 /nfs/dbraw/zinc/06/81/40/624068140.db2.gz GQDLUWMWBABTCI-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCC2CCCC2)C1 ZINC000971200326 624068142 /nfs/dbraw/zinc/06/81/42/624068142.db2.gz GQDLUWMWBABTCI-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2F)C1 ZINC000998719538 634386230 /nfs/dbraw/zinc/38/62/30/634386230.db2.gz GURXUMPMBPRQQP-NVXWUHKLSA-N 1 3 319.424 2.001 20 0 DEADHO CC(C)[C@H](CNc1cc(N)[nH+]cc1Cl)N1CCN(C)CC1 ZINC000891681471 624530797 /nfs/dbraw/zinc/53/07/97/624530797.db2.gz USJRLSLZPAEXQZ-AWEZNQCLSA-N 1 3 311.861 2.001 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001022711277 624863113 /nfs/dbraw/zinc/86/31/13/624863113.db2.gz VVZRIPHJWWCLLZ-XYPHTWIQSA-N 1 3 319.424 2.047 20 0 DEADHO COc1ccc2nccc(N3CC[NH+](CC(C)(C)O)CC3)c2c1 ZINC000892271922 624917800 /nfs/dbraw/zinc/91/78/00/624917800.db2.gz YZLCQDSHBIGFOV-UHFFFAOYSA-N 1 3 315.417 2.136 20 0 DEADHO C[NH+]1CCC(CNc2ccccc2CN2CCC(O)CC2)CC1 ZINC000892281871 624935555 /nfs/dbraw/zinc/93/55/55/624935555.db2.gz PZCOMIWXIWXXAU-UHFFFAOYSA-N 1 3 317.477 2.397 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CC2)C1 ZINC001022807183 624937510 /nfs/dbraw/zinc/93/75/10/624937510.db2.gz FLFFZYJSXXFPKV-BBWFWOEESA-N 1 3 307.482 2.286 20 0 DEADHO C[N@H+]([C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)[C@H]1CCc2ccccc21 ZINC000972432942 625076787 /nfs/dbraw/zinc/07/67/87/625076787.db2.gz JKQPOHAWBPVUEF-WMZOPIPTSA-N 1 3 324.428 2.172 20 0 DEADHO C[N@@H+]([C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)[C@H]1CCc2ccccc21 ZINC000972432942 625076790 /nfs/dbraw/zinc/07/67/90/625076790.db2.gz JKQPOHAWBPVUEF-WMZOPIPTSA-N 1 3 324.428 2.172 20 0 DEADHO CN(Cc1ccsc1)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001027680405 634432741 /nfs/dbraw/zinc/43/27/41/634432741.db2.gz DXEZCPRXHNLLAA-JKSUJKDBSA-N 1 3 321.490 2.123 20 0 DEADHO CN(Cc1ccsc1)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001027680405 634432744 /nfs/dbraw/zinc/43/27/44/634432744.db2.gz DXEZCPRXHNLLAA-JKSUJKDBSA-N 1 3 321.490 2.123 20 0 DEADHO C[C@@H](N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)c1ccccc1F ZINC001023086828 625151897 /nfs/dbraw/zinc/15/18/97/625151897.db2.gz YMKMRZOCQRXOEA-TUVASFSCSA-N 1 3 319.424 2.075 20 0 DEADHO C[C@@H](N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1ccccc1F ZINC001023086828 625151900 /nfs/dbraw/zinc/15/19/00/625151900.db2.gz YMKMRZOCQRXOEA-TUVASFSCSA-N 1 3 319.424 2.075 20 0 DEADHO C[C@@H]1NCCC[C@H]1[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000925533224 625232980 /nfs/dbraw/zinc/23/29/80/625232980.db2.gz ZASAVHVADUDHPM-ZLKJLUDKSA-N 1 3 318.339 2.349 20 0 DEADHO CC(C)[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]12 ZINC001026268472 625241227 /nfs/dbraw/zinc/24/12/27/625241227.db2.gz ZWRRFRZFQMDYFY-BRWVUGGUSA-N 1 3 321.509 2.486 20 0 DEADHO CC[NH2+]C[C@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001025167638 625242259 /nfs/dbraw/zinc/24/22/59/625242259.db2.gz JXDJNXIQFVPJCK-QGZVFWFLSA-N 1 3 303.450 2.352 20 0 DEADHO CCO[C@@H]1C[C@H](NCc2cccc(C[N@H+](C)CC)c2)[C@H]1OC ZINC000892937967 625741496 /nfs/dbraw/zinc/74/14/96/625741496.db2.gz JQEHPEPSVZJSSX-RCCFBDPRSA-N 1 3 306.450 2.420 20 0 DEADHO CCO[C@@H]1C[C@H](NCc2cccc(C[N@@H+](C)CC)c2)[C@H]1OC ZINC000892937967 625741499 /nfs/dbraw/zinc/74/14/99/625741499.db2.gz JQEHPEPSVZJSSX-RCCFBDPRSA-N 1 3 306.450 2.420 20 0 DEADHO CC(C)=CCN1CCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001024634929 625945021 /nfs/dbraw/zinc/94/50/21/625945021.db2.gz YVQOYLRUNYQTJS-QGZVFWFLSA-N 1 3 307.482 2.265 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC2CCCCC2)C1)C1CC1 ZINC000999372024 634577916 /nfs/dbraw/zinc/57/79/16/634577916.db2.gz NVPNBABFDJDVGG-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]([NH2+]C1CC(N(C)C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC000999473359 634603503 /nfs/dbraw/zinc/60/35/03/634603503.db2.gz MBOIDGULPFQXOP-BZOOQXSSSA-N 1 3 312.417 2.292 20 0 DEADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]Cc2cccc(F)c2)C1 ZINC000999834909 634692204 /nfs/dbraw/zinc/69/22/04/634692204.db2.gz ZZDAHNXVEROHKR-UHFFFAOYSA-N 1 3 319.424 2.001 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2)C1)N(C)C ZINC001000105515 634746807 /nfs/dbraw/zinc/74/68/07/634746807.db2.gz QLCUKEGQFOTHBH-ZWKOTPCHSA-N 1 3 317.477 2.353 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC2CCCCC2)C1)C1CC1 ZINC001026888945 633242792 /nfs/dbraw/zinc/24/27/92/633242792.db2.gz POPLQCZGZVGHCO-FUHWJXTLSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)[NH2+][C@@H]1CN(C(=O)[C@H](C)N2CCCCCC2)CC1(C)C ZINC000996372525 633249899 /nfs/dbraw/zinc/24/98/99/633249899.db2.gz DJYSHZVFICVPFS-JKSUJKDBSA-N 1 3 309.498 2.486 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2C[C@H]([NH2+]CCF)C(C)(C)C2)c1 ZINC000996660223 633339411 /nfs/dbraw/zinc/33/94/11/633339411.db2.gz IGBBPXVKAGFKHB-INIZCTEOSA-N 1 3 321.440 2.158 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]Cc2ccccc2)CC1)N(C)C ZINC000996692581 633350476 /nfs/dbraw/zinc/35/04/76/633350476.db2.gz NUJJLHNWDUHHBZ-SFHVURJKSA-N 1 3 317.477 2.353 20 0 DEADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccsc2)CC1)N(C)C ZINC000997014813 633561821 /nfs/dbraw/zinc/56/18/21/633561821.db2.gz LAIOMRPCIQHLKL-HNNXBMFYSA-N 1 3 309.479 2.169 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](C(C)C)CC1 ZINC000997072782 633566924 /nfs/dbraw/zinc/56/69/24/633566924.db2.gz QDFINKUICZOCAO-NVXWUHKLSA-N 1 3 309.498 2.484 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CCC2CC2)C1)C1CC1 ZINC001027443288 633793821 /nfs/dbraw/zinc/79/38/21/633793821.db2.gz LAKNOODSDGWLMG-IAGOWNOFSA-N 1 3 307.482 2.050 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CC2)C1)C1CC1 ZINC001027443288 633793827 /nfs/dbraw/zinc/79/38/27/633793827.db2.gz LAKNOODSDGWLMG-IAGOWNOFSA-N 1 3 307.482 2.050 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CCCC2)C1)C1CC1 ZINC001027444895 633796210 /nfs/dbraw/zinc/79/62/10/633796210.db2.gz VIIOIWLBDRQTDY-ROUUACIJSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CCCC2)C1)C1CC1 ZINC001027444895 633796214 /nfs/dbraw/zinc/79/62/14/633796214.db2.gz VIIOIWLBDRQTDY-ROUUACIJSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([N@H+](C)CC2CCC2)C1 ZINC001027576239 634182749 /nfs/dbraw/zinc/18/27/49/634182749.db2.gz MSOANHSQGDODCH-WBVHZDCISA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([N@@H+](C)CC2CCC2)C1 ZINC001027576239 634182752 /nfs/dbraw/zinc/18/27/52/634182752.db2.gz MSOANHSQGDODCH-WBVHZDCISA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+](C)[C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027577394 634185920 /nfs/dbraw/zinc/18/59/20/634185920.db2.gz LESWNOWDIIZWMN-YOEHRIQHSA-N 1 3 313.461 2.142 20 0 DEADHO CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027577394 634185926 /nfs/dbraw/zinc/18/59/26/634185926.db2.gz LESWNOWDIIZWMN-YOEHRIQHSA-N 1 3 313.461 2.142 20 0 DEADHO O=C(CN1CCCC1)N1CCC(C[NH2+]CC2CCCCC2)CC1 ZINC000998268767 634194670 /nfs/dbraw/zinc/19/46/70/634194670.db2.gz IYYOPGLKZCWDGG-UHFFFAOYSA-N 1 3 321.509 2.491 20 0 DEADHO Cc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCN3C)C2)cc1 ZINC000998555960 634325200 /nfs/dbraw/zinc/32/52/00/634325200.db2.gz JPIUVIFTDOGRDF-ABHNRTSZSA-N 1 3 315.461 2.168 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCC1 ZINC001027879619 634853074 /nfs/dbraw/zinc/85/30/74/634853074.db2.gz VOUOIPOMGLCFKG-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCC1 ZINC001027879619 634853075 /nfs/dbraw/zinc/85/30/75/634853075.db2.gz VOUOIPOMGLCFKG-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001000370243 635157507 /nfs/dbraw/zinc/15/75/07/635157507.db2.gz KCQOGHRZBSKVIC-SJORKVTESA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H]1C[C@H](C[NH2+]CC2CCCCC2)CN1C(=O)CN1CCCC1 ZINC000980802373 635159722 /nfs/dbraw/zinc/15/97/22/635159722.db2.gz YLOHBCHSEKGIEE-SJLPKXTDSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCC1 ZINC001027985620 635168912 /nfs/dbraw/zinc/16/89/12/635168912.db2.gz LZBNVBPDMOYFMI-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCC1 ZINC001027985620 635168914 /nfs/dbraw/zinc/16/89/14/635168914.db2.gz LZBNVBPDMOYFMI-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)=CCN1CCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001027993455 635181281 /nfs/dbraw/zinc/18/12/81/635181281.db2.gz STXKECPOEVKCOX-INIZCTEOSA-N 1 3 305.466 2.162 20 0 DEADHO CC(C)C[N@H+]1CC=C(CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001000661906 635260634 /nfs/dbraw/zinc/26/06/34/635260634.db2.gz HCWKIIJTNYNLLX-QGZVFWFLSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001000661906 635260636 /nfs/dbraw/zinc/26/06/36/635260636.db2.gz HCWKIIJTNYNLLX-QGZVFWFLSA-N 1 3 307.482 2.264 20 0 DEADHO CCCCN1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000981438180 635483187 /nfs/dbraw/zinc/48/31/87/635483187.db2.gz KXIQHXXTEIGSJE-IAGOWNOFSA-N 1 3 307.482 2.338 20 0 DEADHO CCCCN1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000981438180 635483192 /nfs/dbraw/zinc/48/31/92/635483192.db2.gz KXIQHXXTEIGSJE-IAGOWNOFSA-N 1 3 307.482 2.338 20 0 DEADHO CC(C)[NH+]1CCC(O)(CNCc2nccc3c2CCCC3)CC1 ZINC000921842827 635537385 /nfs/dbraw/zinc/53/73/85/635537385.db2.gz NGLQZCGTFDZRAO-UHFFFAOYSA-N 1 3 317.477 2.285 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCCN(C(=O)C(C)(C)N2CCCC2)CC1 ZINC000981741036 635622148 /nfs/dbraw/zinc/62/21/48/635622148.db2.gz NQSAOKVMDBBQDL-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@H](C)C[N@H+]1CCCN(C(=O)C(C)(C)N2CCCC2)CC1 ZINC000981741036 635622152 /nfs/dbraw/zinc/62/21/52/635622152.db2.gz NQSAOKVMDBBQDL-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)CC[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001002791957 635798021 /nfs/dbraw/zinc/79/80/21/635798021.db2.gz KDTVLPWUOAQZLI-KRWDZBQOSA-N 1 3 309.498 2.486 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC1CC[NH+](CC2CC(C)C2)CC1 ZINC001002953591 635858419 /nfs/dbraw/zinc/85/84/19/635858419.db2.gz ARUJAWCLQRQYBC-HTWSVDAQSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@]1(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)CCC[NH2+]1 ZINC000261532536 635874984 /nfs/dbraw/zinc/87/49/84/635874984.db2.gz ALXUKOBGVBAQDB-YJBOKZPZSA-N 1 3 303.450 2.155 20 0 DEADHO C[NH+]1CCC2(CCCN2[C@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000893854553 636047915 /nfs/dbraw/zinc/04/79/15/636047915.db2.gz BLDKDUUQPPRZMB-CABCVRRESA-N 1 3 312.429 2.180 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CCN1C ZINC000922330138 636091159 /nfs/dbraw/zinc/09/11/59/636091159.db2.gz YNFRCCLSESUXDE-HYVNUMGLSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CCN1C ZINC000922330138 636091162 /nfs/dbraw/zinc/09/11/62/636091162.db2.gz YNFRCCLSESUXDE-HYVNUMGLSA-N 1 3 322.497 2.175 20 0 DEADHO CCc1ccc(CN[C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)o1 ZINC000922388602 636141992 /nfs/dbraw/zinc/14/19/92/636141992.db2.gz RKBHPYXCWXVVMV-ZJPYXAASSA-N 1 3 306.450 2.411 20 0 DEADHO CCc1ccc(CN[C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)o1 ZINC000922388602 636141993 /nfs/dbraw/zinc/14/19/93/636141993.db2.gz RKBHPYXCWXVVMV-ZJPYXAASSA-N 1 3 306.450 2.411 20 0 DEADHO C[C@H]([NH2+]CC1CC1)[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001004877207 636603142 /nfs/dbraw/zinc/60/31/42/636603142.db2.gz LNSPPVNCOPHQRX-WMLDXEAASA-N 1 3 307.482 2.240 20 0 DEADHO CC1CC(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001005181832 636685213 /nfs/dbraw/zinc/68/52/13/636685213.db2.gz AQXNQTZSZCSSFA-DQPZFDDXSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001028844710 636783984 /nfs/dbraw/zinc/78/39/84/636783984.db2.gz ARVKHZTZJISXBV-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001028844710 636783988 /nfs/dbraw/zinc/78/39/88/636783988.db2.gz ARVKHZTZJISXBV-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC1CC(C[NH+]2CCC(N(C)C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001005991474 637046316 /nfs/dbraw/zinc/04/63/16/637046316.db2.gz MTYPDIUPKYTXSG-KLAILNCOSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@@H](CN)[N@H+](C)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000923290624 637092320 /nfs/dbraw/zinc/09/23/20/637092320.db2.gz MOZRSJABRZEPSE-GJZGRUSLSA-N 1 3 311.429 2.434 20 0 DEADHO C[C@@H](CN)[N@@H+](C)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000923290624 637092323 /nfs/dbraw/zinc/09/23/23/637092323.db2.gz MOZRSJABRZEPSE-GJZGRUSLSA-N 1 3 311.429 2.434 20 0 DEADHO O[C@H](CCc1ccccc1)CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000923329754 637112102 /nfs/dbraw/zinc/11/21/02/637112102.db2.gz YGLNKXFPQMIOIP-QRVBRYPASA-N 1 3 302.462 2.444 20 0 DEADHO CCN(C[C@H](O)COc1cccc(C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000923334975 637121414 /nfs/dbraw/zinc/12/14/14/637121414.db2.gz HPYJQRHEHWXUDE-SJORKVTESA-N 1 3 306.450 2.199 20 0 DEADHO CCN(C[C@@H](O)COc1cccc(C)c1)[C@H]1CCC[NH2+]CC1 ZINC000923334971 637121550 /nfs/dbraw/zinc/12/15/50/637121550.db2.gz HPYJQRHEHWXUDE-DLBZAZTESA-N 1 3 306.450 2.199 20 0 DEADHO C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC000923369553 637140603 /nfs/dbraw/zinc/14/06/03/637140603.db2.gz KPEIWLQRFCCQMB-ZMRCNFHJSA-N 1 3 300.805 2.489 20 0 DEADHO Cc1cccc(OC[C@@H](O)CN[C@H](C[NH3+])C2CCCCC2)c1 ZINC000923372033 637141809 /nfs/dbraw/zinc/14/18/09/637141809.db2.gz FCUANURAXMQAEW-FUHWJXTLSA-N 1 3 306.450 2.232 20 0 DEADHO Cc1cc(C)cc(OC[C@@H](O)CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000923387447 637155179 /nfs/dbraw/zinc/15/51/79/637155179.db2.gz OAECXDDECDXRCY-LNLFQRSKSA-N 1 3 318.461 2.104 20 0 DEADHO C[C@@H]1CN(C[C@@H](O)COc2cccc3ccccc32)C[C@H]1C[NH3+] ZINC000923412397 637166864 /nfs/dbraw/zinc/16/68/64/637166864.db2.gz VKLHATOTENTNDX-DJIMGWMZSA-N 1 3 314.429 2.106 20 0 DEADHO C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CC[C@H](CC[NH3+])C1 ZINC000923486575 637200550 /nfs/dbraw/zinc/20/05/50/637200550.db2.gz HQHMVKNIISPFCK-KGLIPLIRSA-N 1 3 307.413 2.016 20 0 DEADHO CCc1ccc([C@@H](C)NC(=O)CN2CC[C@H](CC[NH3+])C2)cc1 ZINC000923487187 637201119 /nfs/dbraw/zinc/20/11/19/637201119.db2.gz AMORQIYRTUKOKE-ZBFHGGJFSA-N 1 3 303.450 2.097 20 0 DEADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000894780986 637209200 /nfs/dbraw/zinc/20/92/00/637209200.db2.gz BSPADZOEIBQGHU-CVEARBPZSA-N 1 3 323.481 2.269 20 0 DEADHO CN1CC[C@H]2[C@H](CCC[N@H+]2CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000894780986 637209202 /nfs/dbraw/zinc/20/92/02/637209202.db2.gz BSPADZOEIBQGHU-CVEARBPZSA-N 1 3 323.481 2.269 20 0 DEADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000894780986 637209203 /nfs/dbraw/zinc/20/92/03/637209203.db2.gz BSPADZOEIBQGHU-CVEARBPZSA-N 1 3 323.481 2.269 20 0 DEADHO C[N@H+]1CC[C@H]2[C@H](CCCN2CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000894780986 637209204 /nfs/dbraw/zinc/20/92/04/637209204.db2.gz BSPADZOEIBQGHU-CVEARBPZSA-N 1 3 323.481 2.269 20 0 DEADHO C[C@H](C(=O)N1CCCCC1)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923506483 637220936 /nfs/dbraw/zinc/22/09/36/637220936.db2.gz JBEXENRQKWQYMP-IAGOWNOFSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)N(C)C(=O)[C@@H](C)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923506513 637221192 /nfs/dbraw/zinc/22/11/92/637221192.db2.gz XPKVPEIALKILRT-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CCN1C ZINC000928439588 637238162 /nfs/dbraw/zinc/23/81/62/637238162.db2.gz IWSHQCURRKUZGE-PBHICJAKSA-N 1 3 301.434 2.105 20 0 DEADHO C[C@H]([NH2+]CC1CCC1)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001029146417 637276103 /nfs/dbraw/zinc/27/61/03/637276103.db2.gz JIEFWQPVEGUHSE-CVEARBPZSA-N 1 3 321.509 2.345 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001029328961 637607922 /nfs/dbraw/zinc/60/79/22/637607922.db2.gz DUESXGVZUHWKFL-KSZLIROESA-N 1 3 319.493 2.336 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001029328961 637607926 /nfs/dbraw/zinc/60/79/26/637607926.db2.gz DUESXGVZUHWKFL-KSZLIROESA-N 1 3 319.493 2.336 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001029375178 637679630 /nfs/dbraw/zinc/67/96/30/637679630.db2.gz GNEGWRYEUPTWQU-FGTMMUONSA-N 1 3 319.493 2.192 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001029375178 637679636 /nfs/dbraw/zinc/67/96/36/637679636.db2.gz GNEGWRYEUPTWQU-FGTMMUONSA-N 1 3 319.493 2.192 20 0 DEADHO C[C@@H](C[NH2+]CC[C@H](C)N(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000895291869 637892489 /nfs/dbraw/zinc/89/24/89/637892489.db2.gz IKSBNQCLBMERNM-KBPBESRZSA-N 1 3 312.479 2.123 20 0 DEADHO C[C@@H](CNCC[C@H](C)[NH+](C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000895291869 637892492 /nfs/dbraw/zinc/89/24/92/637892492.db2.gz IKSBNQCLBMERNM-KBPBESRZSA-N 1 3 312.479 2.123 20 0 DEADHO CN(CC(C)(C)C[NH+](C)C)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000895627425 638120832 /nfs/dbraw/zinc/12/08/32/638120832.db2.gz IVPAHBJWDYOWBE-AWEZNQCLSA-N 1 3 312.502 2.088 20 0 DEADHO CC(=O)OC[C@H](C)[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000895694456 638147930 /nfs/dbraw/zinc/14/79/30/638147930.db2.gz UXAROUGLMVXUEG-RVKKMQEKSA-N 1 3 304.434 2.296 20 0 DEADHO CCC[NH2+]CCN[C@H]1CCC[C@H](C(F)(F)C(=O)OCC)C1 ZINC000841046847 650413425 /nfs/dbraw/zinc/41/34/25/650413425.db2.gz PDVRAHHEIRCBLD-STQMWFEESA-N 1 3 306.397 2.333 20 0 DEADHO CCC[NH2+]CCN[C@H]1CCC[C@@H](C(F)(F)C(=O)OCC)C1 ZINC000841046845 650413655 /nfs/dbraw/zinc/41/36/55/650413655.db2.gz PDVRAHHEIRCBLD-OLZOCXBDSA-N 1 3 306.397 2.333 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H](N[C@@H]2CCCC[NH2+]C2)C1 ZINC000841091342 650428772 /nfs/dbraw/zinc/42/87/72/650428772.db2.gz VTSOWXMPFMWQCO-HZSPNIEDSA-N 1 3 318.408 2.475 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]CCCNC2CC2)C1 ZINC000841091116 650428830 /nfs/dbraw/zinc/42/88/30/650428830.db2.gz UNCSOGOXUZMAPA-DGCLKSJQSA-N 1 3 304.381 2.085 20 0 DEADHO [NH3+]CC1(O)CCN(Cc2ccc(SC(F)F)cc2)CC1 ZINC000841107319 650432976 /nfs/dbraw/zinc/43/29/76/650432976.db2.gz FYCDFDUJJTUHNS-UHFFFAOYSA-N 1 3 302.390 2.287 20 0 DEADHO CC1CC(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000984800138 638692892 /nfs/dbraw/zinc/69/28/92/638692892.db2.gz OPORAHTYYNUEKL-LZYVMWMOSA-N 1 3 307.482 2.001 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2CC1CC1)[NH+]1CCCC1 ZINC001029597607 639333271 /nfs/dbraw/zinc/33/32/71/639333271.db2.gz BBWLBEWTEIWGNB-FGTMMUONSA-N 1 3 319.493 2.192 20 0 DEADHO c1cc(N2CCN(CC3CCC4(CC3)OCCO4)CC2)cc[nH+]1 ZINC000753738666 639336496 /nfs/dbraw/zinc/33/64/96/639336496.db2.gz ONUROZOAFZBGLK-UHFFFAOYSA-N 1 3 317.433 2.137 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2=CCCCC2)C1 ZINC001029672500 639409742 /nfs/dbraw/zinc/40/97/42/639409742.db2.gz JOEMBFGYKUKVRY-MSOLQXFVSA-N 1 3 319.493 2.361 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2=CCCCC2)C1 ZINC001029672500 639409744 /nfs/dbraw/zinc/40/97/44/639409744.db2.gz JOEMBFGYKUKVRY-MSOLQXFVSA-N 1 3 319.493 2.361 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](C[N@H+](C)CC2CCCC2)C1 ZINC001029840494 639535423 /nfs/dbraw/zinc/53/54/23/639535423.db2.gz BLDJUXVRAJYCSI-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001029840494 639535426 /nfs/dbraw/zinc/53/54/26/639535426.db2.gz BLDJUXVRAJYCSI-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO C[NH+](C)C1CCN(CCN[C@@H]2CCc3c2nccc3Cl)CC1 ZINC000925215540 639603077 /nfs/dbraw/zinc/60/30/77/639603077.db2.gz NZJYFTSGFWSQKA-MRXNPFEDSA-N 1 3 322.884 2.338 20 0 DEADHO C[C@H](NC1COC(C)(C)OC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000757697300 639870905 /nfs/dbraw/zinc/87/09/05/639870905.db2.gz IFDOXWVPZQCMAJ-AWEZNQCLSA-N 1 3 322.449 2.429 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC000987527774 640210716 /nfs/dbraw/zinc/21/07/16/640210716.db2.gz WTINGQLEOJDYKY-SJLPKXTDSA-N 1 3 315.461 2.170 20 0 DEADHO C[NH2+]CCN(C)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000841820430 650570294 /nfs/dbraw/zinc/57/02/94/650570294.db2.gz NMKVRLOLDPXCBO-KRWDZBQOSA-N 1 3 318.465 2.074 20 0 DEADHO CO[C@@]1(CNC2CC[NH+](CC3CCCCC3)CC2)CCOC1 ZINC000763573698 640553360 /nfs/dbraw/zinc/55/33/60/640553360.db2.gz UMQACEUDKGWFQW-GOSISDBHSA-N 1 3 310.482 2.426 20 0 DEADHO C[C@H]1C[C@@H](NCC2CCN(c3cc[nH+]cc3)CC2)c2ncnn21 ZINC000925300705 640739409 /nfs/dbraw/zinc/73/94/09/640739409.db2.gz OGHKFDXJUCXXPB-XJKSGUPXSA-N 1 3 312.421 2.185 20 0 DEADHO COCCCOc1cccc(C[N@@H+]2C[C@@H]3CN(C)C[C@]3(C)C2)c1 ZINC000897621741 640872065 /nfs/dbraw/zinc/87/20/65/640872065.db2.gz QIENCUWTUQHXQD-PKOBYXMFSA-N 1 3 318.461 2.485 20 0 DEADHO COCCCOc1cccc(C[N@H+]2C[C@@H]3CN(C)C[C@]3(C)C2)c1 ZINC000897621741 640872069 /nfs/dbraw/zinc/87/20/69/640872069.db2.gz QIENCUWTUQHXQD-PKOBYXMFSA-N 1 3 318.461 2.485 20 0 DEADHO CC(C)CC[N@@H+]1CCCN(C(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC000989728697 641211461 /nfs/dbraw/zinc/21/14/61/641211461.db2.gz SFXKVDUBCKWLDB-CALCHBBNSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CC[N@H+]1CCCN(C(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC000989728697 641211467 /nfs/dbraw/zinc/21/14/67/641211467.db2.gz SFXKVDUBCKWLDB-CALCHBBNSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)CN1C(=O)CN1CCCC1 ZINC000989798806 641236735 /nfs/dbraw/zinc/23/67/35/641236735.db2.gz GGJLQINLLXAVFR-HOCLYGCPSA-N 1 3 307.482 2.097 20 0 DEADHO c1cnn(-c2ncccc2CN[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000924640458 641529571 /nfs/dbraw/zinc/52/95/71/641529571.db2.gz LWRASJPFXKCUEG-DLBZAZTESA-N 1 3 311.433 2.374 20 0 DEADHO c1cnn(-c2ncccc2CN[C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000924640458 641529574 /nfs/dbraw/zinc/52/95/74/641529574.db2.gz LWRASJPFXKCUEG-DLBZAZTESA-N 1 3 311.433 2.374 20 0 DEADHO CCO[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)[C@H]1C)CN(C)C ZINC000926961030 641540065 /nfs/dbraw/zinc/54/00/65/641540065.db2.gz OABJJDWPABYNRP-UHOSZYNNSA-N 1 3 319.493 2.206 20 0 DEADHO CCc1ccc([C@H](CNC(=O)C23CC[NH+](CC2)C3)N(C)C)cc1 ZINC000900013724 642241129 /nfs/dbraw/zinc/24/11/29/642241129.db2.gz PJRZLQSLAQUWNC-KRWDZBQOSA-N 1 3 315.461 2.064 20 0 DEADHO CN(CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)Cc1ccccc1 ZINC000900338310 642325928 /nfs/dbraw/zinc/32/59/28/642325928.db2.gz VJAOFPUSFRKYGZ-ROUUACIJSA-N 1 3 315.461 2.252 20 0 DEADHO CN(CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)Cc1ccccc1 ZINC000900338310 642325930 /nfs/dbraw/zinc/32/59/30/642325930.db2.gz VJAOFPUSFRKYGZ-ROUUACIJSA-N 1 3 315.461 2.252 20 0 DEADHO CC1(C)C[NH2+]CC[C@H](N[C@@H]2CCN(C(=O)C3CCCC3)C2)C1 ZINC000902347253 643002731 /nfs/dbraw/zinc/00/27/31/643002731.db2.gz ICSIPWOIRBCKGO-JKSUJKDBSA-N 1 3 307.482 2.145 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CNCC2(C)C)C1 ZINC000902451979 643046302 /nfs/dbraw/zinc/04/63/02/643046302.db2.gz ZMEHUZQOLSLUFL-FRRDWIJNSA-N 1 3 318.408 2.331 20 0 DEADHO C1C[C@H](NC2CC[NH+](C3CCCCC3)CC2)[C@@]2(CCOC2)O1 ZINC000903105898 643251371 /nfs/dbraw/zinc/25/13/71/643251371.db2.gz VYKMTRYSYLESTN-ROUUACIJSA-N 1 3 308.466 2.321 20 0 DEADHO C1C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)[C@@]2(CCOC2)O1 ZINC000903105898 643251375 /nfs/dbraw/zinc/25/13/75/643251375.db2.gz VYKMTRYSYLESTN-ROUUACIJSA-N 1 3 308.466 2.321 20 0 DEADHO C[NH+](C)CC[C@@H](N[C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)c1cccnc1 ZINC000903379235 643335538 /nfs/dbraw/zinc/33/55/38/643335538.db2.gz VVPNIDVJYPCQFC-KCTOORRSSA-N 1 3 315.461 2.478 20 0 DEADHO C[C@@H]1C[C@@H](N[C@H](CC[NH+](C)C)c2cccnc2)CN1C1CC1 ZINC000903384063 643336083 /nfs/dbraw/zinc/33/60/83/643336083.db2.gz PKYWFXMZTAIVJI-QGPMSJSTSA-N 1 3 302.466 2.289 20 0 DEADHO COC(=O)[C@@H](C)CN(Cc1ccccc1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903454346 643356787 /nfs/dbraw/zinc/35/67/87/643356787.db2.gz BEFNTKHWJGSISJ-VYDXJSESSA-N 1 3 304.434 2.153 20 0 DEADHO COc1ccc(C)cc1NC(=O)[C@H](C)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496533 643371602 /nfs/dbraw/zinc/37/16/02/643371602.db2.gz RDWZTTZPRGAFPL-QLFBSQMISA-N 1 3 319.449 2.247 20 0 DEADHO Clc1ccc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cn1 ZINC000903510524 643373794 /nfs/dbraw/zinc/37/37/94/643373794.db2.gz RWXGJEAOQRYLGU-IYBDPMFKSA-N 1 3 320.868 2.136 20 0 DEADHO Clc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)cn1 ZINC000903510524 643373798 /nfs/dbraw/zinc/37/37/98/643373798.db2.gz RWXGJEAOQRYLGU-IYBDPMFKSA-N 1 3 320.868 2.136 20 0 DEADHO Clc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)cn1 ZINC000903510524 643373801 /nfs/dbraw/zinc/37/38/01/643373801.db2.gz RWXGJEAOQRYLGU-IYBDPMFKSA-N 1 3 320.868 2.136 20 0 DEADHO CCN(Cc1ccc2c(c1)OCO2)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718477 643438252 /nfs/dbraw/zinc/43/82/52/643438252.db2.gz NEKXACDSGCAWEC-QAPCUYQASA-N 1 3 318.417 2.006 20 0 DEADHO Cc1cncc([C@@H]2CCCN2C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)c1 ZINC000903781098 643460207 /nfs/dbraw/zinc/46/02/07/643460207.db2.gz NSMHFEWNUHUMRS-FGTMMUONSA-N 1 3 301.434 2.296 20 0 DEADHO Fc1ccc(O[C@H]2CCN(C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C2)cc1 ZINC000903780580 643460515 /nfs/dbraw/zinc/46/05/15/643460515.db2.gz JKLNTSFIEXXGKU-BZSNNMDCSA-N 1 3 320.408 2.047 20 0 DEADHO c1cc([C@@H]2CNCCO2)ccc1NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903933679 643514296 /nfs/dbraw/zinc/51/42/96/643514296.db2.gz VDJBWMZRWZPKPY-ZKVVCRCRSA-N 1 3 301.434 2.290 20 0 DEADHO CN(C(=O)[C@@H]1CCN(C[C@]2(C)CCC[NH2+]C2)C1)c1ccccc1 ZINC000904350994 643642752 /nfs/dbraw/zinc/64/27/52/643642752.db2.gz SYTUIJLUOJGPCC-VQIMIIECSA-N 1 3 315.461 2.361 20 0 DEADHO COC(=O)[C@@](C)(CNC[C@@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000904368175 643646700 /nfs/dbraw/zinc/64/67/00/643646700.db2.gz IXAUBSHPNFXVHT-ROUUACIJSA-N 1 3 304.434 2.097 20 0 DEADHO COc1ccc(OC)c(CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1 ZINC000904388780 643650722 /nfs/dbraw/zinc/65/07/22/643650722.db2.gz AXUYDSZKLMSMTL-MRXNPFEDSA-N 1 3 320.433 2.034 20 0 DEADHO COc1ccc(OC(F)F)c(CN2CC[C@@H](CC[NH3+])C2)c1 ZINC000904405681 643659779 /nfs/dbraw/zinc/65/97/79/643659779.db2.gz MPCUIBMGUGCXEZ-LLVKDONJSA-N 1 3 300.349 2.467 20 0 DEADHO COC(=O)c1cc(CN2CCC([C@@H]3CCC[NH2+]CC3)CC2)c[nH]1 ZINC000904416243 643663683 /nfs/dbraw/zinc/66/36/83/643663683.db2.gz JPQUZWHDYDEBFE-OAHLLOKOSA-N 1 3 319.449 2.403 20 0 DEADHO O[C@@H](CNCc1ccccc1C[NH+]1CCCC1)C1(O)CCCC1 ZINC000905026089 643775081 /nfs/dbraw/zinc/77/50/81/643775081.db2.gz MVPJBOXFTVWNDH-SFHVURJKSA-N 1 3 318.461 2.038 20 0 DEADHO C[NH+](C)CC1(CNC[C@H](O)CC2(O)CCCCC2)CCCC1 ZINC000905213506 643833847 /nfs/dbraw/zinc/83/38/47/643833847.db2.gz PDMFQWFGLOLETE-MRXNPFEDSA-N 1 3 312.498 2.144 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC000906427405 644249525 /nfs/dbraw/zinc/24/95/25/644249525.db2.gz IORGGSLXEGCEKA-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000906527997 644273092 /nfs/dbraw/zinc/27/30/92/644273092.db2.gz QRGJODZZEVTHJH-UHFFFAOYSA-N 1 3 303.450 2.402 20 0 DEADHO CC(C)(C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)N1CCCCC1 ZINC000906612084 644293143 /nfs/dbraw/zinc/29/31/43/644293143.db2.gz VYRZNMTWHMWEKM-MRXNPFEDSA-N 1 3 307.482 2.338 20 0 DEADHO CN1CC[C@H]([NH2+]C[C@H](O)COc2cccc(F)c2)[C@@H]2CCC[C@H]21 ZINC000796700587 644779436 /nfs/dbraw/zinc/77/94/36/644779436.db2.gz FLPWXXIQSOSRGC-LEUOFYLZSA-N 1 3 322.424 2.028 20 0 DEADHO C[N@@H+]1CC[C@H](NC[C@H](O)c2c(F)cccc2F)[C@H]2CCC[C@@H]21 ZINC000796817960 644797856 /nfs/dbraw/zinc/79/78/56/644797856.db2.gz OPKHHQPCSYSNBC-MEYUZBJRSA-N 1 3 310.388 2.461 20 0 DEADHO C[N@H+]1CC[C@H](NC[C@H](O)c2c(F)cccc2F)[C@H]2CCC[C@@H]21 ZINC000796817960 644797858 /nfs/dbraw/zinc/79/78/58/644797858.db2.gz OPKHHQPCSYSNBC-MEYUZBJRSA-N 1 3 310.388 2.461 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(C3CC3)C[C@H](C)C2)C1 ZINC000908503350 644891517 /nfs/dbraw/zinc/89/15/17/644891517.db2.gz IKFNKKKBFWOZEJ-HOTGVXAUSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCN(C3CC3)C[C@H](C)C2)C1 ZINC000908503350 644891520 /nfs/dbraw/zinc/89/15/20/644891520.db2.gz IKFNKKKBFWOZEJ-HOTGVXAUSA-N 1 3 307.482 2.051 20 0 DEADHO [NH3+]C[C@H]1CN(CC[C@@H]2CC2(Cl)Cl)CC12CCOCC2 ZINC000843387723 650964475 /nfs/dbraw/zinc/96/44/75/650964475.db2.gz IIRHAIDZMNWSSB-NEPJUHHUSA-N 1 3 307.265 2.258 20 0 DEADHO CC(C)[C@@H](C(=O)OC[C@H]1CCC[N@@H+]1Cc1ccco1)N(C)C ZINC000798846401 645088523 /nfs/dbraw/zinc/08/85/23/645088523.db2.gz VZYXKBNEZAKXRA-ZBFHGGJFSA-N 1 3 308.422 2.373 20 0 DEADHO CC(C)[C@@H](C(=O)OC[C@H]1CCC[N@H+]1Cc1ccco1)N(C)C ZINC000798846401 645088527 /nfs/dbraw/zinc/08/85/27/645088527.db2.gz VZYXKBNEZAKXRA-ZBFHGGJFSA-N 1 3 308.422 2.373 20 0 DEADHO O=C(C1=CCC[NH2+]CC1)N1CCCN(Cc2ccccc2)CC1 ZINC000911634439 645766516 /nfs/dbraw/zinc/76/65/16/645766516.db2.gz BSYSVEILBXUSDU-UHFFFAOYSA-N 1 3 313.445 2.031 20 0 DEADHO CC[N@@H+]1CC[C@@H](N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000164519053 646447678 /nfs/dbraw/zinc/44/76/78/646447678.db2.gz LWPDFYOVHJXJQE-RBSFLKMASA-N 1 3 311.470 2.316 20 0 DEADHO CC[N@H+]1CC[C@@H](N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000164519053 646447682 /nfs/dbraw/zinc/44/76/82/646447682.db2.gz LWPDFYOVHJXJQE-RBSFLKMASA-N 1 3 311.470 2.316 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000811524974 646539424 /nfs/dbraw/zinc/53/94/24/646539424.db2.gz BFNWNVRTZXMENE-YOEHRIQHSA-N 1 3 313.461 2.190 20 0 DEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000811524974 646539429 /nfs/dbraw/zinc/53/94/29/646539429.db2.gz BFNWNVRTZXMENE-YOEHRIQHSA-N 1 3 313.461 2.190 20 0 DEADHO CN(CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC3CC3)[C@@H]2C1)C1CCC1 ZINC000992716796 647195106 /nfs/dbraw/zinc/19/51/06/647195106.db2.gz UHFYSYXWKHNLCE-JQHSSLGASA-N 1 3 319.493 2.097 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(N2CCCC2=O)cc1 ZINC000817897058 647374841 /nfs/dbraw/zinc/37/48/41/647374841.db2.gz CPHXGVAODXBDQZ-RHSMWYFYSA-N 1 3 301.434 2.291 20 0 DEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@]1(O)CCc2ccccc21 ZINC000817917248 647381406 /nfs/dbraw/zinc/38/14/06/647381406.db2.gz NNLSWARKKRJSRN-YSSFQJQWSA-N 1 3 310.441 2.369 20 0 DEADHO COc1ccc([C@@H](C)NCC[C@H](C)[NH3+])cc1Cn1cccn1 ZINC000817953852 647392663 /nfs/dbraw/zinc/39/26/63/647392663.db2.gz VGRSTPSSRUQQEF-UONOGXRCSA-N 1 3 302.422 2.328 20 0 DEADHO COc1ccc([C@@H](C)NC[C@H](C)C[NH3+])cc1Cn1cccn1 ZINC000817962768 647394652 /nfs/dbraw/zinc/39/46/52/647394652.db2.gz OTQWJXJDXSIWOI-ZIAGYGMSSA-N 1 3 302.422 2.185 20 0 DEADHO COc1ccc([C@@H](C)[NH2+]C[C@H](N)C2CC2)cc1Cn1cccn1 ZINC000817965972 647395750 /nfs/dbraw/zinc/39/57/50/647395750.db2.gz XYGJEXNGAWXELI-DYVFJYSZSA-N 1 3 314.433 2.328 20 0 DEADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(N2CCNC2=O)cc1 ZINC000817970138 647396862 /nfs/dbraw/zinc/39/68/62/647396862.db2.gz MJSOPNDQBSMPGD-NWANDNLSSA-N 1 3 302.422 2.137 20 0 DEADHO COCCC[NH+]1CCC(NC[C@@H](O)c2ccc(C)cc2)CC1 ZINC000819007177 647562937 /nfs/dbraw/zinc/56/29/37/647562937.db2.gz TVERCBHYFSKPLZ-GOSISDBHSA-N 1 3 306.450 2.119 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CCC[N@@H+]1CCC1CC1 ZINC000993534393 647691852 /nfs/dbraw/zinc/69/18/52/647691852.db2.gz XUFFBQQTTNFUHP-WBVHZDCISA-N 1 3 319.493 2.384 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CCC[N@H+]1CCC1CC1 ZINC000993534393 647691855 /nfs/dbraw/zinc/69/18/55/647691855.db2.gz XUFFBQQTTNFUHP-WBVHZDCISA-N 1 3 319.493 2.384 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000154619565 648051708 /nfs/dbraw/zinc/05/17/08/648051708.db2.gz QLCYZZHPTCQEQR-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000154619565 648051711 /nfs/dbraw/zinc/05/17/11/648051711.db2.gz QLCYZZHPTCQEQR-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)CC[NH+]1CCC(CNC(=O)N[C@H]2CCN(C)[C@@H]2C)CC1 ZINC000921362775 648294035 /nfs/dbraw/zinc/29/40/35/648294035.db2.gz ATRKKHXXKHFSBH-WBVHZDCISA-N 1 3 324.513 2.136 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)C[C@H]([NH3+])C2CC2)N(C)C)cc1 ZINC000825776670 648810873 /nfs/dbraw/zinc/81/08/73/648810873.db2.gz SBRVLEQHJIXUAY-DLBZAZTESA-N 1 3 303.450 2.095 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000826686580 648907377 /nfs/dbraw/zinc/90/73/77/648907377.db2.gz SOEDWIPXPKNSLH-KRWDZBQOSA-N 1 3 307.482 2.097 20 0 DEADHO CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C(C)(C)C1 ZINC000940746864 648933414 /nfs/dbraw/zinc/93/34/14/648933414.db2.gz CRECEQRSAJXRLV-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C(C)(C)C1 ZINC000940746864 648933416 /nfs/dbraw/zinc/93/34/16/648933416.db2.gz CRECEQRSAJXRLV-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CC2CCC2)CC1(C)C ZINC000941186655 649018576 /nfs/dbraw/zinc/01/85/76/649018576.db2.gz NJQHRNCJNLKUNK-MRXNPFEDSA-N 1 3 318.465 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CC2CCC2)CC1(C)C ZINC000941186655 649018582 /nfs/dbraw/zinc/01/85/82/649018582.db2.gz NJQHRNCJNLKUNK-MRXNPFEDSA-N 1 3 318.465 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CC2CCC2)CC1(C)C ZINC000941186654 649019125 /nfs/dbraw/zinc/01/91/25/649019125.db2.gz NJQHRNCJNLKUNK-INIZCTEOSA-N 1 3 318.465 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CC2CCC2)CC1(C)C ZINC000941186654 649019129 /nfs/dbraw/zinc/01/91/29/649019129.db2.gz NJQHRNCJNLKUNK-INIZCTEOSA-N 1 3 318.465 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC000995180076 649108744 /nfs/dbraw/zinc/10/87/44/649108744.db2.gz DAAGRIOONZGIRO-HZPDHXFCSA-N 1 3 318.465 2.325 20 0 DEADHO CC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000995228163 649202199 /nfs/dbraw/zinc/20/21/99/649202199.db2.gz HKRUYFOOSYWCQB-ZBFHGGJFSA-N 1 3 303.450 2.256 20 0 DEADHO COc1ccc2c(c1)[nH+]ccc2N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000829015343 649260379 /nfs/dbraw/zinc/26/03/79/649260379.db2.gz GYTAXBCYOHKPGM-OKILXGFUSA-N 1 3 315.417 2.135 20 0 DEADHO CN(C)CCN(CCCc1ccccc1)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000830360432 649432384 /nfs/dbraw/zinc/43/23/84/649432384.db2.gz IBFYBTXXMQPICW-GOSISDBHSA-N 1 3 317.477 2.137 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc(Cl)n1 ZINC000830462890 649449074 /nfs/dbraw/zinc/44/90/74/649449074.db2.gz ANBYIYUUDNWMRJ-MRVWCRGKSA-N 1 3 324.856 2.032 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(Cl)n1 ZINC000830462890 649449076 /nfs/dbraw/zinc/44/90/76/649449076.db2.gz ANBYIYUUDNWMRJ-MRVWCRGKSA-N 1 3 324.856 2.032 20 0 DEADHO C[C@@H](NC(=O)NCCCCCC[NH3+])[C@@H](c1ccccc1)N(C)C ZINC000831161117 649546130 /nfs/dbraw/zinc/54/61/30/649546130.db2.gz PVQSVDGMQHUANH-WBVHZDCISA-N 1 3 320.481 2.496 20 0 DEADHO CCCC[N@H+](C)CC1CCN(C[C@@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844276736 651102773 /nfs/dbraw/zinc/10/27/73/651102773.db2.gz HJXGRJWBJXPPNR-QGZVFWFLSA-N 1 3 323.481 2.414 20 0 DEADHO CCCC[N@@H+](C)CC1CCN(C[C@@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844276736 651102776 /nfs/dbraw/zinc/10/27/76/651102776.db2.gz HJXGRJWBJXPPNR-QGZVFWFLSA-N 1 3 323.481 2.414 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000854736377 651547283 /nfs/dbraw/zinc/54/72/83/651547283.db2.gz DKLNKTMTGFASBC-SFHVURJKSA-N 1 3 309.498 2.443 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000854736377 651547289 /nfs/dbraw/zinc/54/72/89/651547289.db2.gz DKLNKTMTGFASBC-SFHVURJKSA-N 1 3 309.498 2.443 20 0 DEADHO CN1CCC[NH+]=C1NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000849024645 651587227 /nfs/dbraw/zinc/58/72/27/651587227.db2.gz WHHBFGXWBBGVGR-UHFFFAOYSA-N 1 3 318.387 2.073 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@](C)(OC)c1ccccc1 ZINC000849035561 651590816 /nfs/dbraw/zinc/59/08/16/651590816.db2.gz MZDNATWJDRZHFS-SJLPKXTDSA-N 1 3 318.465 2.146 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCNc1ccccc1F ZINC000849078960 651599639 /nfs/dbraw/zinc/59/96/39/651599639.db2.gz ULXCRCGUNIYPJK-CQSZACIVSA-N 1 3 321.444 2.226 20 0 DEADHO CO[C@@H](C)C[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856603787 651956760 /nfs/dbraw/zinc/95/67/60/651956760.db2.gz OOAHNCLRIWPRGI-MAUKXSAKSA-N 1 3 321.465 2.410 20 0 DEADHO CO[C@@H](C)C[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856603787 651956763 /nfs/dbraw/zinc/95/67/63/651956763.db2.gz OOAHNCLRIWPRGI-MAUKXSAKSA-N 1 3 321.465 2.410 20 0 DEADHO COCC[N@H+](C)CCCC1CCN(c2ccnc(CO)c2)CC1 ZINC000858462357 652343049 /nfs/dbraw/zinc/34/30/49/652343049.db2.gz AMQAMDPHILCTMP-UHFFFAOYSA-N 1 3 321.465 2.149 20 0 DEADHO COCC[N@@H+](C)CCCC1CCN(c2ccnc(CO)c2)CC1 ZINC000858462357 652343052 /nfs/dbraw/zinc/34/30/52/652343052.db2.gz AMQAMDPHILCTMP-UHFFFAOYSA-N 1 3 321.465 2.149 20 0 DEADHO CCOC(=O)N1CCC([NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC000853094060 652500986 /nfs/dbraw/zinc/50/09/86/652500986.db2.gz XEOKCGOBEWJHRR-MRXNPFEDSA-N 1 3 323.481 2.319 20 0 DEADHO CN(C)C1(C(=O)NCC2([NH2+]CCC3CC3)CCCC2)CCC1 ZINC001374161059 1157677105 /nfs/dbraw/zinc/67/71/05/1157677105.db2.gz GJBQOLXPDSBYGD-UHFFFAOYSA-N 1 3 307.482 2.289 20 0 DEADHO CN(C)C1(C(=O)NCC2(C)CC[NH+](CC3CC3)CC2)CCC1 ZINC001393177170 1157738071 /nfs/dbraw/zinc/73/80/71/1157738071.db2.gz UWKDCPIXYPSAEZ-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H](C[NH2+]CC1CC(C)(C)C1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001374283256 1157801825 /nfs/dbraw/zinc/80/18/25/1157801825.db2.gz RGGAMHXYIZMLNE-HUUCEWRRSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@H]1CCN(C(=O)C[C@H]([NH3+])C2CC2)CCN1Cc1ccccc1 ZINC000382684092 685405457 /nfs/dbraw/zinc/40/54/57/685405457.db2.gz DKEQDGZCFDGIJO-YJBOKZPZSA-N 1 3 315.461 2.237 20 0 DEADHO C[C@@H]1[C@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000928442993 693780752 /nfs/dbraw/zinc/78/07/52/693780752.db2.gz CKCAOVCCQVFKAS-CRAIPNDOSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000074102271 683928932 /nfs/dbraw/zinc/92/89/32/683928932.db2.gz UMEKESHKJGZRPA-AEFFLSMTSA-N 1 3 315.461 2.204 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000074102271 683928935 /nfs/dbraw/zinc/92/89/35/683928935.db2.gz UMEKESHKJGZRPA-AEFFLSMTSA-N 1 3 315.461 2.204 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000928836074 693852766 /nfs/dbraw/zinc/85/27/66/693852766.db2.gz MTQPMUMCRBFGTL-DLBZAZTESA-N 1 3 318.465 2.065 20 0 DEADHO CC(C)N1Cc2ccc(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)cc2C1 ZINC001054281498 693913132 /nfs/dbraw/zinc/91/31/32/693913132.db2.gz NCAXSKBKWPBDCN-RDTXWAMCSA-N 1 3 315.461 2.225 20 0 DEADHO CC(C)N1Cc2ccc(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)cc2C1 ZINC001054281498 693913136 /nfs/dbraw/zinc/91/31/36/693913136.db2.gz NCAXSKBKWPBDCN-RDTXWAMCSA-N 1 3 315.461 2.225 20 0 DEADHO O[C@H](CN1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1)C[NH+]1CCCC1 ZINC000859929889 685856552 /nfs/dbraw/zinc/85/65/52/685856552.db2.gz IRIXUEKJXNTZIC-CADBVGFASA-N 1 3 300.446 2.179 20 0 DEADHO C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1[NH2+]CCC1CC1 ZINC001054648948 694014692 /nfs/dbraw/zinc/01/46/92/694014692.db2.gz KODPMVYGMWLVFL-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000864058637 686608999 /nfs/dbraw/zinc/60/89/99/686608999.db2.gz VTKZGGBWRQWMQV-HNNXBMFYSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H]1CN(CCC[NH2+]Cc2cnc(Cl)c(F)c2)CCCO1 ZINC000865544185 687253899 /nfs/dbraw/zinc/25/38/99/687253899.db2.gz LJXOPXIMWBNEEF-GFCCVEGCSA-N 1 3 315.820 2.465 20 0 DEADHO CN(C)CC[NH+]1CCC(N[C@H]2c3ccccc3OC[C@@H]2F)CC1 ZINC000866227094 687500233 /nfs/dbraw/zinc/50/02/33/687500233.db2.gz ACECJDXBCNDSAR-WMZOPIPTSA-N 1 3 321.440 2.074 20 0 DEADHO C[C@@H]1CCc2ccc(F)cc2[C@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000866270796 687516393 /nfs/dbraw/zinc/51/63/93/687516393.db2.gz VPQCDNQALPGWQR-DYVFJYSZSA-N 1 3 306.425 2.495 20 0 DEADHO C[NH2+]C[C@@](C)(O)CN1CCC[C@H](c2ccccc2OC)CC1 ZINC000866717708 687664210 /nfs/dbraw/zinc/66/42/10/687664210.db2.gz MXYKZNLHCQKCLK-MAUKXSAKSA-N 1 3 306.450 2.235 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](C(C)C)CC2 ZINC001016651938 687674416 /nfs/dbraw/zinc/67/44/16/687674416.db2.gz LOWXDCJYGBEOMM-HOTGVXAUSA-N 1 3 307.482 2.240 20 0 DEADHO CC1CC(C[N@H+](C)C[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001017221917 687830905 /nfs/dbraw/zinc/83/09/05/687830905.db2.gz IZUJKYKLTGUSBV-HWOWSKLDSA-N 1 3 318.465 2.169 20 0 DEADHO CC1CC(C[N@@H+](C)C[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001017221917 687830912 /nfs/dbraw/zinc/83/09/12/687830912.db2.gz IZUJKYKLTGUSBV-HWOWSKLDSA-N 1 3 318.465 2.169 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001018962718 688262725 /nfs/dbraw/zinc/26/27/25/688262725.db2.gz JONHOFJIMGCUBG-KRWDZBQOSA-N 1 3 315.461 2.170 20 0 DEADHO COc1ccc2c(c1)C[C@H](C[N@@H+]1CC[C@@]3(CCN(C)C3)C1)O2 ZINC000930557679 694189716 /nfs/dbraw/zinc/18/97/16/694189716.db2.gz IUNLDPYCZRZHCK-SJLPKXTDSA-N 1 3 302.418 2.026 20 0 DEADHO COc1ccc2c(c1)C[C@H](C[N@H+]1CC[C@@]3(CCN(C)C3)C1)O2 ZINC000930557679 694189719 /nfs/dbraw/zinc/18/97/19/694189719.db2.gz IUNLDPYCZRZHCK-SJLPKXTDSA-N 1 3 302.418 2.026 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cc(C)ccc2C)C1)N(C)C ZINC001019395076 688345864 /nfs/dbraw/zinc/34/58/64/688345864.db2.gz ZQJXDFPHPQEORU-ROUUACIJSA-N 1 3 317.477 2.334 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC1CCC([NH2+]CC2CC2)CC1 ZINC001026492175 688528624 /nfs/dbraw/zinc/52/86/24/688528624.db2.gz DSERHEDVPWLWRD-JCYILVPMSA-N 1 3 307.482 2.286 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)N(C)C)cc1 ZINC000870854372 688668501 /nfs/dbraw/zinc/66/85/01/688668501.db2.gz YIWFQVCJTHKUSL-BZSNNMDCSA-N 1 3 317.477 2.485 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000870872891 688673792 /nfs/dbraw/zinc/67/37/92/688673792.db2.gz OZVASKDIBLIWBQ-OWLYRPNTSA-N 1 3 315.461 2.456 20 0 DEADHO CCCN(CCN(C)C)C(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870911269 688684887 /nfs/dbraw/zinc/68/48/87/688684887.db2.gz ZEQDNVNHBDLWEQ-UHFFFAOYSA-N 1 3 324.494 2.024 20 0 DEADHO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000870988634 688704818 /nfs/dbraw/zinc/70/48/18/688704818.db2.gz VUQMGVJKFNLPMW-APWZRJJASA-N 1 3 315.461 2.445 20 0 DEADHO C[C@@H](N[C@@H](C)CN(C)CCC[NH+](C)C)c1cc(O)ccc1F ZINC000872085762 688924770 /nfs/dbraw/zinc/92/47/70/688924770.db2.gz QNHISWMJSQZQLX-UONOGXRCSA-N 1 3 311.445 2.454 20 0 DEADHO C[C@H](CCNC[C@H](O)CC(C)(C)O)[N@H+](C)Cc1ccccc1 ZINC000872203799 688951550 /nfs/dbraw/zinc/95/15/50/688951550.db2.gz NPXWNQHUNACODI-NVXWUHKLSA-N 1 3 308.466 2.009 20 0 DEADHO C[C@H](CCNC[C@H](O)CC(C)(C)O)[N@@H+](C)Cc1ccccc1 ZINC000872203799 688951553 /nfs/dbraw/zinc/95/15/53/688951553.db2.gz NPXWNQHUNACODI-NVXWUHKLSA-N 1 3 308.466 2.009 20 0 DEADHO O[C@]1(CNCC2SCCS2)CC[N@H+](Cc2ccccc2)C1 ZINC000872215723 688955459 /nfs/dbraw/zinc/95/54/59/688955459.db2.gz GWODKHHZEKUXAK-INIZCTEOSA-N 1 3 324.515 2.019 20 0 DEADHO O[C@]1(CNCC2SCCS2)CC[N@@H+](Cc2ccccc2)C1 ZINC000872215723 688955462 /nfs/dbraw/zinc/95/54/62/688955462.db2.gz GWODKHHZEKUXAK-INIZCTEOSA-N 1 3 324.515 2.019 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1C[NH+](CC2CCCC2)C1 ZINC001032026239 689045204 /nfs/dbraw/zinc/04/52/04/689045204.db2.gz BGDCMQUBVXMODW-GOSISDBHSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](F)CC[NH+]1CC(CNC(=O)c2ccccc2CN(C)C)C1 ZINC001032206861 689082777 /nfs/dbraw/zinc/08/27/77/689082777.db2.gz LUKFIUJQZRDGEE-CQSZACIVSA-N 1 3 321.440 2.158 20 0 DEADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCC2)CC[N@@H+]1C ZINC001032411363 689143252 /nfs/dbraw/zinc/14/32/52/689143252.db2.gz LMFNZMGXZWFECK-LAVFITLUSA-N 1 3 319.493 2.192 20 0 DEADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCC2)CC[N@H+]1C ZINC001032411363 689143253 /nfs/dbraw/zinc/14/32/53/689143253.db2.gz LMFNZMGXZWFECK-LAVFITLUSA-N 1 3 319.493 2.192 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC(C)C ZINC001032433157 689150080 /nfs/dbraw/zinc/15/00/80/689150080.db2.gz KOFNHQOZBOIMLH-YESZJQIVSA-N 1 3 307.482 2.192 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC(C)C ZINC001032433157 689150082 /nfs/dbraw/zinc/15/00/82/689150082.db2.gz KOFNHQOZBOIMLH-YESZJQIVSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CC2)C1 ZINC001032443564 689152298 /nfs/dbraw/zinc/15/22/98/689152298.db2.gz XWGRYLPKACAGLX-SQNIBIBYSA-N 1 3 319.493 2.050 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CC2)C1 ZINC001032443564 689152299 /nfs/dbraw/zinc/15/22/99/689152299.db2.gz XWGRYLPKACAGLX-SQNIBIBYSA-N 1 3 319.493 2.050 20 0 DEADHO CC1(C)CC[C@H](C[NH2+]C2CCN(Cc3ccccn3)CC2)NC1 ZINC000873235204 689190937 /nfs/dbraw/zinc/19/09/37/689190937.db2.gz LXILVWUTZQKAPJ-QGZVFWFLSA-N 1 3 316.493 2.414 20 0 DEADHO Cc1ccncc1[C@H](C)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873242835 689191915 /nfs/dbraw/zinc/19/19/15/689191915.db2.gz GDVLSQUKAAQENW-AWEZNQCLSA-N 1 3 322.416 2.280 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000873249884 689194461 /nfs/dbraw/zinc/19/44/61/689194461.db2.gz DBDGMKSGDQUVFV-XJKSGUPXSA-N 1 3 319.449 2.085 20 0 DEADHO Cc1c([C@H](C)NC[C@H]2C[C@H]([NH3+])C2)nnn1-c1ccc(F)cc1 ZINC000873258511 689196116 /nfs/dbraw/zinc/19/61/16/689196116.db2.gz QRRFTQRCOVTDIL-JKOKRWQUSA-N 1 3 303.385 2.103 20 0 DEADHO C[C@@H](C(=O)N(C)[C@@H]1CCN(CCCF)C1)[NH+]1CCCCCC1 ZINC001033466579 689510812 /nfs/dbraw/zinc/51/08/12/689510812.db2.gz GAOAADKHFVUOBE-JKSUJKDBSA-N 1 3 313.461 2.143 20 0 DEADHO C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CCCF)C1)N1CCCCCC1 ZINC001033466579 689510815 /nfs/dbraw/zinc/51/08/15/689510815.db2.gz GAOAADKHFVUOBE-JKSUJKDBSA-N 1 3 313.461 2.143 20 0 DEADHO C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](CCCF)C1)N1CCCCCC1 ZINC001033466579 689510818 /nfs/dbraw/zinc/51/08/18/689510818.db2.gz GAOAADKHFVUOBE-JKSUJKDBSA-N 1 3 313.461 2.143 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001034331649 689812742 /nfs/dbraw/zinc/81/27/42/689812742.db2.gz UUWZWQLILMFEQZ-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001034331649 689812746 /nfs/dbraw/zinc/81/27/46/689812746.db2.gz UUWZWQLILMFEQZ-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000876737218 689922396 /nfs/dbraw/zinc/92/23/96/689922396.db2.gz PUZDNJFDQBLCIG-XLNGHYISSA-N 1 3 315.461 2.312 20 0 DEADHO CC1CC(C[NH2+][C@H]2CC[C@H](NC(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001034734105 689936502 /nfs/dbraw/zinc/93/65/02/689936502.db2.gz KWQMOQCQRGBOMB-FHZKDXSVSA-N 1 3 321.509 2.391 20 0 DEADHO CN(C)CCN(Cc1ccccc1)C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876874065 689961040 /nfs/dbraw/zinc/96/10/40/689961040.db2.gz ZEAHFFOEFKBJCO-DVQDXYAYSA-N 1 3 315.461 2.133 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(F)c1)N(C)C ZINC001035052839 690021739 /nfs/dbraw/zinc/02/17/39/690021739.db2.gz UMBGJWBRBKXCRD-SJORKVTESA-N 1 3 321.440 2.247 20 0 DEADHO Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCCC2)cs1 ZINC001035126359 690033622 /nfs/dbraw/zinc/03/36/22/690033622.db2.gz ZHMSNGKASNVQCZ-MRXNPFEDSA-N 1 3 321.490 2.233 20 0 DEADHO CCC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@@H](C)C1)CC2 ZINC001035227758 690066412 /nfs/dbraw/zinc/06/64/12/690066412.db2.gz XQZDNZHRRPZRFX-MRXNPFEDSA-N 1 3 307.482 2.053 20 0 DEADHO CCC[N@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@@H](C)C1)CC2 ZINC001035227758 690066414 /nfs/dbraw/zinc/06/64/14/690066414.db2.gz XQZDNZHRRPZRFX-MRXNPFEDSA-N 1 3 307.482 2.053 20 0 DEADHO CC[C@@H](C(=O)N1CCC2(CC[N@H+](CCC3CC3)C2)CC1)N(C)C ZINC001035229299 690066698 /nfs/dbraw/zinc/06/66/98/690066698.db2.gz GWAOVNRQZBDQGH-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)N1CCC2(CC[N@@H+](CCC3CC3)C2)CC1)N(C)C ZINC001035229299 690066702 /nfs/dbraw/zinc/06/67/02/690066702.db2.gz GWAOVNRQZBDQGH-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO [NH3+][C@H](CCC(=O)NC[C@@H]1Cc2ccccc2CN1)c1ccccc1 ZINC000877346721 690084091 /nfs/dbraw/zinc/08/40/91/690084091.db2.gz GQLSBEPLDKDFOF-RBUKOAKNSA-N 1 3 323.440 2.297 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000877403897 690103766 /nfs/dbraw/zinc/10/37/66/690103766.db2.gz WKVIMOHNUUWSRD-BZUAXINKSA-N 1 3 307.482 2.288 20 0 DEADHO CN(CC(=O)N[C@@H]1CCCCC12CC[NH2+]CC2)CC(C)(C)C ZINC000877408294 690104894 /nfs/dbraw/zinc/10/48/94/690104894.db2.gz JWFCYWPYPNDZOP-OAHLLOKOSA-N 1 3 309.498 2.393 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000877452892 690117178 /nfs/dbraw/zinc/11/71/78/690117178.db2.gz SVHRMWAZRJWTQL-NVXWUHKLSA-N 1 3 309.498 2.474 20 0 DEADHO COC(=O)c1ccc(CN2CCCC3(CC[NH+](C)CC3)C2)n1C ZINC000877497134 690132034 /nfs/dbraw/zinc/13/20/34/690132034.db2.gz GMWSBQIXIIAIAF-UHFFFAOYSA-N 1 3 319.449 2.120 20 0 DEADHO C[N@@H+]1CC[C@H]2CN(CCC3CN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000877742983 690212096 /nfs/dbraw/zinc/21/20/96/690212096.db2.gz SNYOQVXRTXQDAJ-HOTGVXAUSA-N 1 3 323.481 2.269 20 0 DEADHO C[N@H+]1CC[C@H]2CN(CCC3CN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000877742983 690212098 /nfs/dbraw/zinc/21/20/98/690212098.db2.gz SNYOQVXRTXQDAJ-HOTGVXAUSA-N 1 3 323.481 2.269 20 0 DEADHO CN1CC[C@H]2C[N@H+](CCC3CN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000877742983 690212100 /nfs/dbraw/zinc/21/21/00/690212100.db2.gz SNYOQVXRTXQDAJ-HOTGVXAUSA-N 1 3 323.481 2.269 20 0 DEADHO CN1CC[C@H]2C[N@@H+](CCC3CN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000877742983 690212103 /nfs/dbraw/zinc/21/21/03/690212103.db2.gz SNYOQVXRTXQDAJ-HOTGVXAUSA-N 1 3 323.481 2.269 20 0 DEADHO CC(C)[C@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccccc1 ZINC000877928772 690262503 /nfs/dbraw/zinc/26/25/03/690262503.db2.gz IAWIDWOXNKNMHY-SFHVURJKSA-N 1 3 303.450 2.184 20 0 DEADHO C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1C[NH2+]CC1CCCC1 ZINC001036580197 690390919 /nfs/dbraw/zinc/39/09/19/690390919.db2.gz YHRLFPDWYLMCOR-WMLDXEAASA-N 1 3 318.465 2.359 20 0 DEADHO CC(C)(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001036830490 690490845 /nfs/dbraw/zinc/49/08/45/690490845.db2.gz WCRGGXIPGOIBQU-ZBFHGGJFSA-N 1 3 318.465 2.311 20 0 DEADHO CC(C)(C)CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001036830490 690490848 /nfs/dbraw/zinc/49/08/48/690490848.db2.gz WCRGGXIPGOIBQU-ZBFHGGJFSA-N 1 3 318.465 2.311 20 0 DEADHO CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@@H]21 ZINC001036902778 690521851 /nfs/dbraw/zinc/52/18/51/690521851.db2.gz PTZHNYVBNKKZKK-WMZOPIPTSA-N 1 3 315.461 2.305 20 0 DEADHO CC[N@H+]1CC[C@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@@H]21 ZINC001036902778 690521852 /nfs/dbraw/zinc/52/18/52/690521852.db2.gz PTZHNYVBNKKZKK-WMZOPIPTSA-N 1 3 315.461 2.305 20 0 DEADHO CC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@@H]21 ZINC001036902401 690521874 /nfs/dbraw/zinc/52/18/74/690521874.db2.gz KDHPAXREFQNUHZ-ROUUACIJSA-N 1 3 315.461 2.305 20 0 DEADHO CC[N@H+]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@@H]21 ZINC001036902401 690521876 /nfs/dbraw/zinc/52/18/76/690521876.db2.gz KDHPAXREFQNUHZ-ROUUACIJSA-N 1 3 315.461 2.305 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001037155914 690582436 /nfs/dbraw/zinc/58/24/36/690582436.db2.gz BXGRDNFTEULOKV-HZPDHXFCSA-N 1 3 318.465 2.325 20 0 DEADHO CC[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CCC1CC1 ZINC001037859673 690625622 /nfs/dbraw/zinc/62/56/22/690625622.db2.gz KUWKMCDPECXUET-FUHWJXTLSA-N 1 3 321.509 2.488 20 0 DEADHO CN1CC[C@@H]2C[N@H+](C[C@H]3CCCN(C(=O)C(C)(C)C)C3)CC[C@H]21 ZINC000879578592 690679247 /nfs/dbraw/zinc/67/92/47/690679247.db2.gz FOSVUQGJRLFTPI-BRWVUGGUSA-N 1 3 321.509 2.297 20 0 DEADHO CN1CC[C@@H]2C[N@@H+](C[C@H]3CCCN(C(=O)C(C)(C)C)C3)CC[C@H]21 ZINC000879578592 690679249 /nfs/dbraw/zinc/67/92/49/690679249.db2.gz FOSVUQGJRLFTPI-BRWVUGGUSA-N 1 3 321.509 2.297 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC(C)(C)C ZINC001038320156 690778946 /nfs/dbraw/zinc/77/89/46/690778946.db2.gz GGGPKKFSAHHFMF-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC(C)(C)C ZINC001038320156 690778948 /nfs/dbraw/zinc/77/89/48/690778948.db2.gz GGGPKKFSAHHFMF-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CCN1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001038440249 690823938 /nfs/dbraw/zinc/82/39/38/690823938.db2.gz BPWVBHNAKVNVSF-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CCN1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001038440249 690823942 /nfs/dbraw/zinc/82/39/42/690823942.db2.gz BPWVBHNAKVNVSF-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H]1CN(CCC(=O)NC2CCCC2)CCN1c1cc[nH+]cc1 ZINC000880261509 690854051 /nfs/dbraw/zinc/85/40/51/690854051.db2.gz LLYDPXARFCYIQW-HNNXBMFYSA-N 1 3 316.449 2.041 20 0 DEADHO CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C(C)C)N(C)C ZINC001039294242 691076149 /nfs/dbraw/zinc/07/61/49/691076149.db2.gz PWKLYCWWWWSHLH-NPYXIHBLSA-N 1 3 309.498 2.484 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2)N(C)C ZINC001040250675 691220870 /nfs/dbraw/zinc/22/08/70/691220870.db2.gz SJPDOFMNSJMNCO-HKUYNNGSSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2)N(C)C ZINC001040250675 691220872 /nfs/dbraw/zinc/22/08/72/691220872.db2.gz SJPDOFMNSJMNCO-HKUYNNGSSA-N 1 3 321.509 2.297 20 0 DEADHO CCC[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC1 ZINC001040835542 691291638 /nfs/dbraw/zinc/29/16/38/691291638.db2.gz KXTJUGQQFNUUMD-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041356264 691367351 /nfs/dbraw/zinc/36/73/51/691367351.db2.gz WHDXAOCJSFATGK-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041356264 691367355 /nfs/dbraw/zinc/36/73/55/691367355.db2.gz WHDXAOCJSFATGK-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CN(CCN1CC[NH2+]CC1)C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000883416917 691503445 /nfs/dbraw/zinc/50/34/45/691503445.db2.gz INFVTLDVTSWFLM-RBUKOAKNSA-N 1 3 317.477 2.134 20 0 DEADHO O=C(CC[N@@H+]1CCNCCC12CCC2)N1CCc2ccccc21 ZINC000883458078 691516414 /nfs/dbraw/zinc/51/64/14/691516414.db2.gz WAXDQOPKWOYVHQ-UHFFFAOYSA-N 1 3 313.445 2.184 20 0 DEADHO O=C(CC[N@H+]1CCNCCC12CCC2)N1CCc2ccccc21 ZINC000883458078 691516415 /nfs/dbraw/zinc/51/64/15/691516415.db2.gz WAXDQOPKWOYVHQ-UHFFFAOYSA-N 1 3 313.445 2.184 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@@H]2C[NH2+]CC2(C)C)N(C)C)cc1 ZINC000884178739 691674941 /nfs/dbraw/zinc/67/49/41/691674941.db2.gz TUUUNHKMRQLADF-IRXDYDNUSA-N 1 3 317.477 2.214 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)[C@@H]2C[NH2+]CC2(C)C)N(C)C)cc1 ZINC000884178737 691675110 /nfs/dbraw/zinc/67/51/10/691675110.db2.gz TUUUNHKMRQLADF-DLBZAZTESA-N 1 3 317.477 2.214 20 0 DEADHO CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCc1ccccc1CN(C)C ZINC000884180990 691675859 /nfs/dbraw/zinc/67/58/59/691675859.db2.gz RKSXOLOOZUBLEG-INIZCTEOSA-N 1 3 305.466 2.374 20 0 DEADHO N[C@@H](CC1CC1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000884202034 691681006 /nfs/dbraw/zinc/68/10/06/691681006.db2.gz OOEBZQDRIMSEAA-KRWDZBQOSA-N 1 3 307.482 2.275 20 0 DEADHO C[N@@H+]1CC[C@H](NC[C@H](O)Cc2ccccc2F)[C@H]2CCC[C@@H]21 ZINC000886675128 692157403 /nfs/dbraw/zinc/15/74/03/692157403.db2.gz XNFHVYNDNKYQBC-LMSBXDPUSA-N 1 3 306.425 2.192 20 0 DEADHO C[N@H+]1CC[C@H](NC[C@H](O)Cc2ccccc2F)[C@H]2CCC[C@@H]21 ZINC000886675128 692157405 /nfs/dbraw/zinc/15/74/05/692157405.db2.gz XNFHVYNDNKYQBC-LMSBXDPUSA-N 1 3 306.425 2.192 20 0 DEADHO C[C@@H]1C[C@]2(CC[C@H](CNC3CC[NH+](CC4CC4)CC3)O2)CO1 ZINC000886761465 692185410 /nfs/dbraw/zinc/18/54/10/692185410.db2.gz FFCQBDNDBPIACO-ZTFGCOKTSA-N 1 3 308.466 2.177 20 0 DEADHO C(CN1CC[C@@H]([C@@H]2CCCO2)C1)C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886822385 692201671 /nfs/dbraw/zinc/20/16/71/692201671.db2.gz PYQIFJIRFYMNSQ-RDGPPVDQSA-N 1 3 322.493 2.378 20 0 DEADHO C(CN1CC[C@@H]([C@@H]2CCCO2)C1)C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886822385 692201673 /nfs/dbraw/zinc/20/16/73/692201673.db2.gz PYQIFJIRFYMNSQ-RDGPPVDQSA-N 1 3 322.493 2.378 20 0 DEADHO C(CN1CC[C@H]([C@@H]2CCCO2)C1)C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886822385 692201676 /nfs/dbraw/zinc/20/16/76/692201676.db2.gz PYQIFJIRFYMNSQ-RDGPPVDQSA-N 1 3 322.493 2.378 20 0 DEADHO C(CN1CC[C@H]([C@@H]2CCCO2)C1)C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886822385 692201677 /nfs/dbraw/zinc/20/16/77/692201677.db2.gz PYQIFJIRFYMNSQ-RDGPPVDQSA-N 1 3 322.493 2.378 20 0 DEADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(CCSC(F)(F)F)CC2)C1 ZINC000886840226 692208005 /nfs/dbraw/zinc/20/80/05/692208005.db2.gz XDTIOKMVYUMVGM-VXGBXAGGSA-N 1 3 312.401 2.458 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CC[NH2+]CCC23CCC3)c1 ZINC000887404182 692355891 /nfs/dbraw/zinc/35/58/91/692355891.db2.gz YDIHOOPURGRQSZ-UHFFFAOYSA-N 1 3 316.449 2.498 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC1CC1)C2 ZINC001047190463 692389447 /nfs/dbraw/zinc/38/94/47/692389447.db2.gz PVRVYLNXRMYGMF-JYJNAYRXSA-N 1 3 316.449 2.030 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC1CC1)C2 ZINC001047190463 692389450 /nfs/dbraw/zinc/38/94/50/692389450.db2.gz PVRVYLNXRMYGMF-JYJNAYRXSA-N 1 3 316.449 2.030 20 0 DEADHO C[C@@H]([NH2+]CC1CCC1)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047869744 692504142 /nfs/dbraw/zinc/50/41/42/692504142.db2.gz RSMVJDVAZAGZMP-GDBMZVCRSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]([NH2+]CC1=CCCCC1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047991105 692528836 /nfs/dbraw/zinc/52/88/36/692528836.db2.gz YNNCVHPKTYIYRU-GDBMZVCRSA-N 1 3 316.449 2.279 20 0 DEADHO C[C@H]([NH2+]CC1=CCCCC1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047991106 692528914 /nfs/dbraw/zinc/52/89/14/692528914.db2.gz YNNCVHPKTYIYRU-GOEBONIOSA-N 1 3 316.449 2.279 20 0 DEADHO C[C@@H]([NH2+]CC1CCCC1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048058994 692540397 /nfs/dbraw/zinc/54/03/97/692540397.db2.gz MWALAJVJPSNQDS-NVXWUHKLSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H]([NH2+]Cc1ccsc1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048066512 692542152 /nfs/dbraw/zinc/54/21/52/692542152.db2.gz ONCHAXBAPSRATL-HOCLYGCPSA-N 1 3 321.490 2.171 20 0 DEADHO C[C@@H]([NH2+]CC1CCCCC1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048067114 692542164 /nfs/dbraw/zinc/54/21/64/692542164.db2.gz RNQSVDDQLFLRCH-SJLPKXTDSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)[NH2+]C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001048256808 692584642 /nfs/dbraw/zinc/58/46/42/692584642.db2.gz QKHZPIHSSKCWCK-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CC1CCCC1 ZINC001048278242 692589687 /nfs/dbraw/zinc/58/96/87/692589687.db2.gz WRPCFSVDBANLLT-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO CCCC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC001048820882 692704080 /nfs/dbraw/zinc/70/40/80/692704080.db2.gz SBNDMYNUZPBNGY-CALCHBBNSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC001048820882 692704081 /nfs/dbraw/zinc/70/40/81/692704081.db2.gz SBNDMYNUZPBNGY-CALCHBBNSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H](c1ccccc1)[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001049082523 692758710 /nfs/dbraw/zinc/75/87/10/692758710.db2.gz IWELWJWPMVEAOT-OIISXLGYSA-N 1 3 324.428 2.104 20 0 DEADHO C[C@H](c1ccccc1)[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001049082523 692758714 /nfs/dbraw/zinc/75/87/14/692758714.db2.gz IWELWJWPMVEAOT-OIISXLGYSA-N 1 3 324.428 2.104 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC1CC1)N(C)C ZINC001049698055 692967946 /nfs/dbraw/zinc/96/79/46/692967946.db2.gz BISMPXCSRDLFMY-OKZBNKHCSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC1CC1)N(C)C ZINC001049698055 692967949 /nfs/dbraw/zinc/96/79/49/692967949.db2.gz BISMPXCSRDLFMY-OKZBNKHCSA-N 1 3 321.509 2.438 20 0 DEADHO COCCN(Cc1cnn(C)c1C1CC1)CC1CC[NH+](C)CC1 ZINC000895692916 692998116 /nfs/dbraw/zinc/99/81/16/692998116.db2.gz XOAUGQVNRZTVPB-UHFFFAOYSA-N 1 3 320.481 2.088 20 0 DEADHO CO[C@@H](C[NH2+][C@@H](CCN(C)C)c1cccnc1)C1CCOCC1 ZINC000896716740 693011073 /nfs/dbraw/zinc/01/10/73/693011073.db2.gz LBCHNRPANDXGBX-ROUUACIJSA-N 1 3 321.465 2.106 20 0 DEADHO CC(C)(C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CC1)c1c[nH]cn1 ZINC001049848718 693021240 /nfs/dbraw/zinc/02/12/40/693021240.db2.gz LHQREKUXVRBSJG-LSDHHAIUSA-N 1 3 316.449 2.163 20 0 DEADHO CC(C)(C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CC1)c1c[nH]cn1 ZINC001049848718 693021242 /nfs/dbraw/zinc/02/12/42/693021242.db2.gz LHQREKUXVRBSJG-LSDHHAIUSA-N 1 3 316.449 2.163 20 0 DEADHO COCCCN1CCC([NH2+][C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000924913052 693201176 /nfs/dbraw/zinc/20/11/76/693201176.db2.gz UDWSQRYTBNDWRH-ZWKOTPCHSA-N 1 3 309.498 2.094 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)CCN1C ZINC000925060674 693220877 /nfs/dbraw/zinc/22/08/77/693220877.db2.gz OCPJJEKZXNLPHA-CTMQZQKCSA-N 1 3 322.497 2.175 20 0 DEADHO Cc1ncc2c(n1)CC[C@H]([NH2+][C@H]1CCNC[C@H]1C1CCCC1)C2 ZINC000925535360 693291604 /nfs/dbraw/zinc/29/16/04/693291604.db2.gz FKCOOQACUWNMNE-LNLFQRSKSA-N 1 3 314.477 2.400 20 0 DEADHO CC(C)c1nnc2n1C[C@H](N[C@H]1[C@@H]3CCC[NH2+][C@@H]3C1(C)C)CC2 ZINC000925636510 693313609 /nfs/dbraw/zinc/31/36/09/693313609.db2.gz SWVPAYAXMLBMDP-VDERGJSUSA-N 1 3 317.481 2.083 20 0 DEADHO CC(C)c1nnc2n1C[C@H]([NH2+][C@H]1[C@@H]3CCCN[C@@H]3C1(C)C)CC2 ZINC000925636510 693313615 /nfs/dbraw/zinc/31/36/15/693313615.db2.gz SWVPAYAXMLBMDP-VDERGJSUSA-N 1 3 317.481 2.083 20 0 DEADHO O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CCNC23CCC3)C1)N1CCCCC1 ZINC000925656781 693319422 /nfs/dbraw/zinc/31/94/22/693319422.db2.gz ZOPGTZIROZICIF-OWCLPIDISA-N 1 3 305.466 2.042 20 0 DEADHO Cn1nccc1[C@@H]1C[C@@H]([NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CCO1 ZINC000925689974 693325027 /nfs/dbraw/zinc/32/50/27/693325027.db2.gz IYDWELIJLZKLRX-QMPXSYISSA-N 1 3 318.465 2.006 20 0 DEADHO Cn1nccc1[C@@H]1C[C@@H](N[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCO1 ZINC000925689974 693325033 /nfs/dbraw/zinc/32/50/33/693325033.db2.gz IYDWELIJLZKLRX-QMPXSYISSA-N 1 3 318.465 2.006 20 0 DEADHO CC(=O)NCc1ccc(CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925711219 693327884 /nfs/dbraw/zinc/32/78/84/693327884.db2.gz DXNWWMQEHHXMBD-IRXDYDNUSA-N 1 3 303.450 2.318 20 0 DEADHO FC(F)CN1CCC[C@@H]1CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925722166 693330257 /nfs/dbraw/zinc/33/02/57/693330257.db2.gz HDOJHYDFWYAYEX-OAGGEKHMSA-N 1 3 315.452 2.474 20 0 DEADHO FC(F)CN1CCC[C@@H]1C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925722166 693330261 /nfs/dbraw/zinc/33/02/61/693330261.db2.gz HDOJHYDFWYAYEX-OAGGEKHMSA-N 1 3 315.452 2.474 20 0 DEADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@](C)(O)c1ccccc1Cl ZINC000926179419 693410027 /nfs/dbraw/zinc/41/00/27/693410027.db2.gz UVTJWMXDOHHPMO-BHZYAJLCSA-N 1 3 308.853 2.477 20 0 DEADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@](C)(O)c1ccccc1Cl ZINC000926179419 693410030 /nfs/dbraw/zinc/41/00/30/693410030.db2.gz UVTJWMXDOHHPMO-BHZYAJLCSA-N 1 3 308.853 2.477 20 0 DEADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(C2(C)OCCO2)cc1 ZINC000926778268 693509595 /nfs/dbraw/zinc/50/95/95/693509595.db2.gz IUBFGKWYROITQQ-BYICEURKSA-N 1 3 316.445 2.336 20 0 DEADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(C2(C)OCCO2)cc1 ZINC000926778268 693509600 /nfs/dbraw/zinc/50/96/00/693509600.db2.gz IUBFGKWYROITQQ-BYICEURKSA-N 1 3 316.445 2.336 20 0 DEADHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](N[C@@H](C)c1ccns1)C2 ZINC000926879132 693523070 /nfs/dbraw/zinc/52/30/70/693523070.db2.gz IQBBUNLLQBWAGT-HGYYMRRCSA-N 1 3 309.479 2.273 20 0 DEADHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](N[C@@H](C)c1ccns1)C2 ZINC000926879132 693523073 /nfs/dbraw/zinc/52/30/73/693523073.db2.gz IQBBUNLLQBWAGT-HGYYMRRCSA-N 1 3 309.479 2.273 20 0 DEADHO CCC[NH+]1CCC(NC[C@H]2CCCN2CC(F)(F)F)CC1 ZINC000926926777 693530176 /nfs/dbraw/zinc/53/01/76/693530176.db2.gz QPAAKOVJOXJWSV-CQSZACIVSA-N 1 3 307.404 2.477 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCF)CC1 ZINC001052428974 693532493 /nfs/dbraw/zinc/53/24/93/693532493.db2.gz KUZHOYDQMXVBBF-HOTGVXAUSA-N 1 3 313.461 2.191 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCCF)CC1 ZINC001052428974 693532496 /nfs/dbraw/zinc/53/24/96/693532496.db2.gz KUZHOYDQMXVBBF-HOTGVXAUSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001402416371 1162349724 /nfs/dbraw/zinc/34/97/24/1162349724.db2.gz KUSVPSKECSROQB-DLBZAZTESA-N 1 3 309.498 2.058 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC2CCCC2)C1 ZINC001402422628 1162351740 /nfs/dbraw/zinc/35/17/40/1162351740.db2.gz ZJVHLIYPYMLZAJ-WBVHZDCISA-N 1 3 309.498 2.343 20 0 DEADHO CN(CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)Cc1ccsc1 ZINC001402660899 1162433781 /nfs/dbraw/zinc/43/37/81/1162433781.db2.gz UGCAHIUXRKXNOG-HNNXBMFYSA-N 1 3 323.506 2.370 20 0 DEADHO CN(CCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)Cc1ccsc1 ZINC001402660899 1162433784 /nfs/dbraw/zinc/43/37/84/1162433784.db2.gz UGCAHIUXRKXNOG-HNNXBMFYSA-N 1 3 323.506 2.370 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CC1CCC1 ZINC001379758651 1152690182 /nfs/dbraw/zinc/69/01/82/1152690182.db2.gz SXRAJTALGFWRLJ-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CC1CCC1 ZINC001379758651 1152690183 /nfs/dbraw/zinc/69/01/83/1152690183.db2.gz SXRAJTALGFWRLJ-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001380177258 1152762677 /nfs/dbraw/zinc/76/26/77/1152762677.db2.gz AZGLTPWFQIPFRH-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001380177258 1152762679 /nfs/dbraw/zinc/76/26/79/1152762679.db2.gz AZGLTPWFQIPFRH-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001362523842 1152955598 /nfs/dbraw/zinc/95/55/98/1152955598.db2.gz DXUCPUFYBVKILH-IRXDYDNUSA-N 1 3 307.482 2.338 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001362523842 1152955604 /nfs/dbraw/zinc/95/56/04/1152955604.db2.gz DXUCPUFYBVKILH-IRXDYDNUSA-N 1 3 307.482 2.338 20 0 DEADHO CCCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001402885520 1162517506 /nfs/dbraw/zinc/51/75/06/1162517506.db2.gz GNAGSTGDYZNXAN-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001402885520 1162517510 /nfs/dbraw/zinc/51/75/10/1162517510.db2.gz GNAGSTGDYZNXAN-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C3CCCC3)[C@@H](C)C2)CC[N@@H+]1C ZINC001362902023 1153135773 /nfs/dbraw/zinc/13/57/73/1153135773.db2.gz RRGFKBNVCWOEGH-BHYGNILZSA-N 1 3 307.482 2.192 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C3CCCC3)[C@@H](C)C2)CC[N@H+]1C ZINC001362902023 1153135777 /nfs/dbraw/zinc/13/57/77/1153135777.db2.gz RRGFKBNVCWOEGH-BHYGNILZSA-N 1 3 307.482 2.192 20 0 DEADHO CC[C@H](C(=O)NC1(C2CC[NH+](CC3CCC3)CC2)CC1)N(C)C ZINC001382595504 1153478479 /nfs/dbraw/zinc/47/84/79/1153478479.db2.gz ZHNSTELTLDTHHR-QGZVFWFLSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001389396013 1155329497 /nfs/dbraw/zinc/32/94/97/1155329497.db2.gz YJIKAEJQFXORNM-DOTOQJQBSA-N 1 3 303.450 2.280 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CC12CC[NH+](CCC(C)C)CC2)N(C)C ZINC001389515583 1155359213 /nfs/dbraw/zinc/35/92/13/1155359213.db2.gz DAICXGZCCBEMNM-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CC1CC(C[NH2+]CC(C)(C)CN(C)C(=O)Cc2c[nH]cn2)C1 ZINC001403086749 1162698556 /nfs/dbraw/zinc/69/85/56/1162698556.db2.gz GVNMUOTUMYNKRF-UHFFFAOYSA-N 1 3 306.454 2.073 20 0 DEADHO Cc1cc(C)cc(C[NH2+][C@H]2C[C@@H](NC(=O)CN(C)C(C)C)C2)c1 ZINC001390041803 1155508429 /nfs/dbraw/zinc/50/84/29/1155508429.db2.gz VYOYLRPYXGNAMU-HDICACEKSA-N 1 3 317.477 2.380 20 0 DEADHO Cc1ccc(CC[NH2+][C@H](C)CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001390399844 1155700668 /nfs/dbraw/zinc/70/06/68/1155700668.db2.gz LAOMBXLASYFGQC-MRXNPFEDSA-N 1 3 317.477 2.116 20 0 DEADHO CCc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H](CC)N(C)C)cc1 ZINC001390483085 1155755311 /nfs/dbraw/zinc/75/53/11/1155755311.db2.gz OVSCEYASGYGEGU-PBHICJAKSA-N 1 3 305.466 2.184 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001390512028 1155777930 /nfs/dbraw/zinc/77/79/30/1155777930.db2.gz VVNZZIOQMVIXOZ-INIZCTEOSA-N 1 3 305.466 2.240 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001371211543 1155788496 /nfs/dbraw/zinc/78/84/96/1155788496.db2.gz JGCLJNUSVMWHDA-YOEHRIQHSA-N 1 3 323.456 2.337 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC001390531962 1155795961 /nfs/dbraw/zinc/79/59/61/1155795961.db2.gz FXZYZHHCKGXBPS-PBHICJAKSA-N 1 3 303.450 2.108 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H](NCc2nccs2)C1 ZINC001390612280 1155814182 /nfs/dbraw/zinc/81/41/82/1155814182.db2.gz LMHUMPZPUNQVBO-ZIAGYGMSSA-N 1 3 324.494 2.002 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@@H](NCc2nccs2)C1 ZINC001390612280 1155814186 /nfs/dbraw/zinc/81/41/86/1155814186.db2.gz LMHUMPZPUNQVBO-ZIAGYGMSSA-N 1 3 324.494 2.002 20 0 DEADHO Cc1ccc(F)cc1C[NH2+][C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001371361777 1155833810 /nfs/dbraw/zinc/83/38/10/1155833810.db2.gz HITKIJNOECKPTH-DZGCQCFKSA-N 1 3 321.440 2.070 20 0 DEADHO C[C@H](CCNC(=O)CN(C)CC(C)(C)C)[NH2+]CC1CC(C)C1 ZINC001390705690 1155844510 /nfs/dbraw/zinc/84/45/10/1155844510.db2.gz LHVICJIJXMCPEJ-HWOWSKLDSA-N 1 3 311.514 2.495 20 0 DEADHO C[C@H](c1ccccc1)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001390767964 1155864836 /nfs/dbraw/zinc/86/48/36/1155864836.db2.gz RYVQZJHNSQVGRF-BFYDXBDKSA-N 1 3 303.450 2.136 20 0 DEADHO C[C@H](c1ccccc1)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001390767964 1155864837 /nfs/dbraw/zinc/86/48/37/1155864837.db2.gz RYVQZJHNSQVGRF-BFYDXBDKSA-N 1 3 303.450 2.136 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2C)C1 ZINC001371546483 1155869636 /nfs/dbraw/zinc/86/96/36/1155869636.db2.gz ZMCXDHYOAQFCEJ-KRWDZBQOSA-N 1 3 321.440 2.166 20 0 DEADHO Cc1cccc([C@H](C)N(C)CCNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001390815146 1155880588 /nfs/dbraw/zinc/88/05/88/1155880588.db2.gz ZFDGKAWYWBXIEW-INIZCTEOSA-N 1 3 317.477 2.446 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](CC)Cc1ccc(C)cc1)N(C)C ZINC001391010976 1156046080 /nfs/dbraw/zinc/04/60/80/1156046080.db2.gz RVATVSSUNYEOKU-QGZVFWFLSA-N 1 3 305.466 2.273 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](CC)Cc1ccc(C)cc1)N(C)C ZINC001391010976 1156046089 /nfs/dbraw/zinc/04/60/89/1156046089.db2.gz RVATVSSUNYEOKU-QGZVFWFLSA-N 1 3 305.466 2.273 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cncs1 ZINC001371888391 1156054597 /nfs/dbraw/zinc/05/45/97/1156054597.db2.gz NPLNZBIJNHJLSY-DZGCQCFKSA-N 1 3 324.494 2.002 20 0 DEADHO C[C@H](C(=O)NC[C@H]1CC[N@H+](CCCF)C1)N1CCCCCC1 ZINC001391099296 1156112376 /nfs/dbraw/zinc/11/23/76/1156112376.db2.gz UKOPEQHEWJLLHV-HZPDHXFCSA-N 1 3 313.461 2.049 20 0 DEADHO C[C@H](C(=O)NC[C@H]1CC[N@@H+](CCCF)C1)N1CCCCCC1 ZINC001391099296 1156112400 /nfs/dbraw/zinc/11/24/00/1156112400.db2.gz UKOPEQHEWJLLHV-HZPDHXFCSA-N 1 3 313.461 2.049 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+](Cc2csc(C)c2)C1 ZINC001391112691 1156124309 /nfs/dbraw/zinc/12/43/09/1156124309.db2.gz PMLYKEAVFOIFFB-OAHLLOKOSA-N 1 3 323.506 2.336 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+](Cc2csc(C)c2)C1 ZINC001391112691 1156124327 /nfs/dbraw/zinc/12/43/27/1156124327.db2.gz PMLYKEAVFOIFFB-OAHLLOKOSA-N 1 3 323.506 2.336 20 0 DEADHO CCc1ccccc1CN(C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001372099891 1156206987 /nfs/dbraw/zinc/20/69/87/1156206987.db2.gz ZSPDWVXDECYLNX-UHFFFAOYSA-N 1 3 317.477 2.139 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]([NH2+]CC1CC1)c1ccccc1)N(C)C ZINC001391243806 1156281221 /nfs/dbraw/zinc/28/12/21/1156281221.db2.gz LIRNJBZGFMAMSG-IRXDYDNUSA-N 1 3 303.450 2.184 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CCC(F)(F)F)C1)N(C)C ZINC001391358745 1156356311 /nfs/dbraw/zinc/35/63/11/1156356311.db2.gz NRKXEDBIFOFUKD-STQMWFEESA-N 1 3 323.403 2.059 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CCC(F)(F)F)C1)N(C)C ZINC001391358745 1156356316 /nfs/dbraw/zinc/35/63/16/1156356316.db2.gz NRKXEDBIFOFUKD-STQMWFEESA-N 1 3 323.403 2.059 20 0 DEADHO Cc1ccc(C)c(C[NH+]2CC(CNC(=O)CN(C)C(C)C)C2)c1 ZINC001391525030 1156494845 /nfs/dbraw/zinc/49/48/45/1156494845.db2.gz NOMFPHHSWDHJFQ-UHFFFAOYSA-N 1 3 317.477 2.192 20 0 DEADHO CC(C)CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001391535909 1156506820 /nfs/dbraw/zinc/50/68/20/1156506820.db2.gz HMSWPXBFFQXGQG-ULQDDVLXSA-N 1 3 309.498 2.294 20 0 DEADHO CC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc1ccccc1C)N(C)C ZINC001391692455 1156700127 /nfs/dbraw/zinc/70/01/27/1156700127.db2.gz AQACATVTIDTNOL-DLBZAZTESA-N 1 3 305.466 2.320 20 0 DEADHO CC[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]C/C=C\Cl ZINC001391721050 1156735843 /nfs/dbraw/zinc/73/58/43/1156735843.db2.gz TWTMRNMLKNUNDX-WSROAFLRSA-N 1 3 301.862 2.098 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC2(CC[N@H+](CCC3CC3)C2)CC1 ZINC001391871258 1156820685 /nfs/dbraw/zinc/82/06/85/1156820685.db2.gz MGPBMYBKLOVDJR-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC2(CC[N@@H+](CCC3CC3)C2)CC1 ZINC001391871258 1156820688 /nfs/dbraw/zinc/82/06/88/1156820688.db2.gz MGPBMYBKLOVDJR-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C)C1(C(=O)N(C)CC[NH2+][C@H]2CCc3ccccc32)CCC1 ZINC001372935404 1156824533 /nfs/dbraw/zinc/82/45/33/1156824533.db2.gz CXFQDSSIPYKMLF-KRWDZBQOSA-N 1 3 315.461 2.206 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001372966691 1156829943 /nfs/dbraw/zinc/82/99/43/1156829943.db2.gz GYIRLIROZGPDJG-KRWDZBQOSA-N 1 3 321.440 2.203 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]([NH2+]CC=C(Cl)Cl)C(C)C)N(C)C ZINC001392233183 1156900524 /nfs/dbraw/zinc/90/05/24/1156900524.db2.gz KHNJSVGLFJKPSC-RYUDHWBXSA-N 1 3 324.296 2.376 20 0 DEADHO CC[C@H](C(=O)NCC[C@@H]1CC[N@H+](CC2CCCC2)C1)N(C)C ZINC001373188172 1156881498 /nfs/dbraw/zinc/88/14/98/1156881498.db2.gz CJSFLMLMBVDXMY-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)NCC[C@@H]1CC[N@@H+](CC2CCCC2)C1)N(C)C ZINC001373188172 1156881500 /nfs/dbraw/zinc/88/15/00/1156881500.db2.gz CJSFLMLMBVDXMY-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]([NH2+]CCC(F)(F)F)C(C)C)N(C)C ZINC001392248586 1156915454 /nfs/dbraw/zinc/91/54/54/1156915454.db2.gz QKNDMOKSANDLRR-RYUDHWBXSA-N 1 3 311.392 2.009 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CCC2CC2)C1)N1CCCCC1 ZINC001373651901 1157211520 /nfs/dbraw/zinc/21/15/20/1157211520.db2.gz SMHRGSGLFZMTHN-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](CCC2CC2)C1)N1CCCCC1 ZINC001373651901 1157211532 /nfs/dbraw/zinc/21/15/32/1157211532.db2.gz SMHRGSGLFZMTHN-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@]1(C[NH2+]CC2CC2)CCCC[C@@H]1C ZINC001373903565 1157449658 /nfs/dbraw/zinc/44/96/58/1157449658.db2.gz OFTHFHSHPOVCOB-SCLBCKFNSA-N 1 3 318.465 2.325 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cccc(F)c1)N(C)C ZINC001403417609 1162876608 /nfs/dbraw/zinc/87/66/08/1162876608.db2.gz UFBPWGBRVZJHHE-PBHICJAKSA-N 1 3 323.456 2.396 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1F)N(C)C ZINC001374074653 1157598551 /nfs/dbraw/zinc/59/85/51/1157598551.db2.gz PBBSQGFVGIJOOV-WMLDXEAASA-N 1 3 323.456 2.254 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]C/C=C/Cl)CCCC1)N(C)C ZINC001374177666 1157693796 /nfs/dbraw/zinc/69/37/96/1157693796.db2.gz DNBDFUVVKJCCKG-RSPDNQDQSA-N 1 3 301.862 2.098 20 0 DEADHO CC(C)[NH2+]C[C@H](C)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001374284929 1157802536 /nfs/dbraw/zinc/80/25/36/1157802536.db2.gz WGZOEQCNRIEPDS-XJKSGUPXSA-N 1 3 301.450 2.044 20 0 DEADHO CC[C@H](F)CN1CC[C@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001393458473 1157833295 /nfs/dbraw/zinc/83/32/95/1157833295.db2.gz HJXXCJJZFOSCOV-XHSDSOJGSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@@H]([NH2+]CCC1CC1)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001374392746 1157836744 /nfs/dbraw/zinc/83/67/44/1157836744.db2.gz HQIJCPVCVSHJFX-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]CC1CCC1)C1CC1 ZINC001403513269 1162920849 /nfs/dbraw/zinc/92/08/49/1162920849.db2.gz OQPVIMXBILNHDT-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)[C@H](C)[NH2+]CC1CC1 ZINC001393992858 1158142621 /nfs/dbraw/zinc/14/26/21/1158142621.db2.gz FHBDUCFNBACXEQ-UONOGXRCSA-N 1 3 303.450 2.255 20 0 DEADHO CC(C)[C@H](CCN(C)C(=O)CN1CCCC1)[NH2+]CC1CCC1 ZINC001394192529 1158358900 /nfs/dbraw/zinc/35/89/00/1158358900.db2.gz SAXKBJFRKKJQFY-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C1C[NH+](CCC2CCCC2)C1)N(C)C ZINC001394255655 1158398090 /nfs/dbraw/zinc/39/80/90/1158398090.db2.gz AHZOKHWZXPYTSQ-PBHICJAKSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C1C[NH+](CC2CC3(CCC3)C2)C1)N(C)C ZINC001394265698 1158401392 /nfs/dbraw/zinc/40/13/92/1158401392.db2.gz OIGDEKXNGPOCFQ-RHSMWYFYSA-N 1 3 321.509 2.343 20 0 DEADHO Cc1cc(C[NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C2CC2)cs1 ZINC001375276191 1158421835 /nfs/dbraw/zinc/42/18/35/1158421835.db2.gz CUEKTECFKSTYHR-MRXNPFEDSA-N 1 3 323.506 2.381 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CC1)N(C)C ZINC001375434822 1158676519 /nfs/dbraw/zinc/67/65/19/1158676519.db2.gz ZHOXLOXPBVWSQD-HNNXBMFYSA-N 1 3 309.498 2.247 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)NCC2(NC[C@@H](F)CC)CC2)C1 ZINC001375481429 1158747074 /nfs/dbraw/zinc/74/70/74/1158747074.db2.gz UMHYCIVRJXMQOA-GJZGRUSLSA-N 1 3 313.461 2.095 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)NCC2(NC[C@@H](F)CC)CC2)C1 ZINC001375481429 1158747092 /nfs/dbraw/zinc/74/70/92/1158747092.db2.gz UMHYCIVRJXMQOA-GJZGRUSLSA-N 1 3 313.461 2.095 20 0 DEADHO CC(C)(C(=O)NC[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1)N1CCCC1 ZINC001375501055 1158777748 /nfs/dbraw/zinc/77/77/48/1158777748.db2.gz GUIPFCURAOMAHR-DLPZHFSESA-N 1 3 313.873 2.098 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001375873635 1158898637 /nfs/dbraw/zinc/89/86/37/1158898637.db2.gz DAMTZANANQAVNC-NVXWUHKLSA-N 1 3 309.498 2.345 20 0 DEADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)NC[C@@H](NCCF)C1CC1 ZINC001376225132 1159258962 /nfs/dbraw/zinc/25/89/62/1159258962.db2.gz DCDMELJOIUJXTC-OAHLLOKOSA-N 1 3 313.461 2.093 20 0 DEADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)NC[C@@H](NCCF)C1CC1 ZINC001376225132 1159258972 /nfs/dbraw/zinc/25/89/72/1159258972.db2.gz DCDMELJOIUJXTC-OAHLLOKOSA-N 1 3 313.461 2.093 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H](C[N@H+](C)C[C@H](F)CC)C1 ZINC001376294852 1159320715 /nfs/dbraw/zinc/32/07/15/1159320715.db2.gz QFKPLKYJJXDUTL-JKSUJKDBSA-N 1 3 315.477 2.247 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H](C[N@@H+](C)C[C@H](F)CC)C1 ZINC001376294852 1159320724 /nfs/dbraw/zinc/32/07/24/1159320724.db2.gz QFKPLKYJJXDUTL-JKSUJKDBSA-N 1 3 315.477 2.247 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H](C[N@H+](C)C[C@@H](F)CC)C1 ZINC001376294847 1159321903 /nfs/dbraw/zinc/32/19/03/1159321903.db2.gz QFKPLKYJJXDUTL-HOTGVXAUSA-N 1 3 315.477 2.247 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H](C[N@@H+](C)C[C@@H](F)CC)C1 ZINC001376294847 1159321914 /nfs/dbraw/zinc/32/19/14/1159321914.db2.gz QFKPLKYJJXDUTL-HOTGVXAUSA-N 1 3 315.477 2.247 20 0 DEADHO CC(C)CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001376302633 1159325617 /nfs/dbraw/zinc/32/56/17/1159325617.db2.gz BQUCDABAYWQUGA-HDICACEKSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001376491218 1159476379 /nfs/dbraw/zinc/47/63/79/1159476379.db2.gz QKXQRXHFOPGWEB-BBWFWOEESA-N 1 3 321.509 2.390 20 0 DEADHO CN(CC(=O)N[C@H]1CCC[C@H]([NH2+]CC2CC2)C1)CC(C)(C)C ZINC001376986037 1159865057 /nfs/dbraw/zinc/86/50/57/1159865057.db2.gz QFRFDTLSBWHHFW-HOTGVXAUSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H](C)CCNC(=O)CN(C)C1CCC1 ZINC001377035482 1159882151 /nfs/dbraw/zinc/88/21/51/1159882151.db2.gz LUVKCUPKDCXAJW-INIZCTEOSA-N 1 3 317.477 2.464 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCN(C)Cc2ccccc2)C1 ZINC001403675362 1163085590 /nfs/dbraw/zinc/08/55/90/1163085590.db2.gz ZWONSNXEKPUQRB-GOSISDBHSA-N 1 3 317.477 2.357 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCN(C)Cc2ccccc2)C1 ZINC001403675362 1163085596 /nfs/dbraw/zinc/08/55/96/1163085596.db2.gz ZWONSNXEKPUQRB-GOSISDBHSA-N 1 3 317.477 2.357 20 0 DEADHO CC[N@H+](CCNC(=O)[C@H](C(C)C)N(C)C)Cc1ccccc1 ZINC001377312741 1160195119 /nfs/dbraw/zinc/19/51/19/1160195119.db2.gz BCJDLQNNFQVHHR-KRWDZBQOSA-N 1 3 305.466 2.211 20 0 DEADHO CC[N@@H+](CCNC(=O)[C@H](C(C)C)N(C)C)Cc1ccccc1 ZINC001377312741 1160195131 /nfs/dbraw/zinc/19/51/31/1160195131.db2.gz BCJDLQNNFQVHHR-KRWDZBQOSA-N 1 3 305.466 2.211 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001397669452 1160390456 /nfs/dbraw/zinc/39/04/56/1160390456.db2.gz WCJOVLMGSXQCTN-SZMVWBNQSA-N 1 3 321.509 2.393 20 0 DEADHO CC[C@H](F)C[N@@H+]1CC[C@@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001377701539 1160750338 /nfs/dbraw/zinc/75/03/38/1160750338.db2.gz QMIZZNZGXXAFCB-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](F)C[N@H+]1CC[C@@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001377701539 1160750350 /nfs/dbraw/zinc/75/03/50/1160750350.db2.gz QMIZZNZGXXAFCB-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO CN(Cc1ccccc1F)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001377772735 1160816327 /nfs/dbraw/zinc/81/63/27/1160816327.db2.gz VIPBAFVOKHUZSG-OAHLLOKOSA-N 1 3 321.440 2.058 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)N1CCCC1 ZINC001378135442 1161045658 /nfs/dbraw/zinc/04/56/58/1161045658.db2.gz IOOVGZAKOCEGIO-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N1CCCC1 ZINC001378135442 1161045663 /nfs/dbraw/zinc/04/56/63/1161045663.db2.gz IOOVGZAKOCEGIO-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001398794711 1161105489 /nfs/dbraw/zinc/10/54/89/1161105489.db2.gz PVJRFEXURWBAKK-DZGCQCFKSA-N 1 3 306.454 2.133 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001398794711 1161105490 /nfs/dbraw/zinc/10/54/90/1161105490.db2.gz PVJRFEXURWBAKK-DZGCQCFKSA-N 1 3 306.454 2.133 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CNC(=O)CN(C)C(C)C)cc1C ZINC001399161337 1161264372 /nfs/dbraw/zinc/26/43/72/1161264372.db2.gz MPRYWNBZGAEOFD-INIZCTEOSA-N 1 3 305.466 2.238 20 0 DEADHO Cc1cc(Cl)ccc1CN(C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001399651647 1161503382 /nfs/dbraw/zinc/50/33/82/1161503382.db2.gz FXHMVTYNWBRBMP-HNNXBMFYSA-N 1 3 323.868 2.148 20 0 DEADHO Cc1cc(Cl)ccc1CN(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001399651647 1161503387 /nfs/dbraw/zinc/50/33/87/1161503387.db2.gz FXHMVTYNWBRBMP-HNNXBMFYSA-N 1 3 323.868 2.148 20 0 DEADHO CCC[NH2+][C@@H](CNC(=O)CN1CC[C@@H](C)C1)c1ccccc1 ZINC001400093885 1161652015 /nfs/dbraw/zinc/65/20/15/1161652015.db2.gz CESXKMOWBMPZMP-WBVHZDCISA-N 1 3 303.450 2.185 20 0 DEADHO CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1ccsc1 ZINC001400821624 1161828863 /nfs/dbraw/zinc/82/88/63/1161828863.db2.gz KMPFRGLROPAWPX-GJZGRUSLSA-N 1 3 311.495 2.319 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+]CC1CC(C)C1 ZINC001401127206 1161878971 /nfs/dbraw/zinc/87/89/71/1161878971.db2.gz WXRDOIIYBAZKPR-PCKAHOCUSA-N 1 3 309.498 2.249 20 0 DEADHO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCN2C)cc1C ZINC001401207833 1161894344 /nfs/dbraw/zinc/89/43/44/1161894344.db2.gz WTEUHXDZTMIFFW-AEFFLSMTSA-N 1 3 317.477 2.334 20 0 DEADHO C[C@H](C[NH2+]CC1CC2(CCC2)C1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001401249229 1161904878 /nfs/dbraw/zinc/90/48/78/1161904878.db2.gz ZLYSGLOZPITUOF-HZPDHXFCSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)C[C@@H](C[NH2+]CC1CCC1)NC(=O)C1(N(C)C)CCC1 ZINC001401286887 1161915887 /nfs/dbraw/zinc/91/58/87/1161915887.db2.gz PDCKXNQERNHLMK-INIZCTEOSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)C/C=C\c1ccccc1)N(C)C ZINC001401775435 1162124294 /nfs/dbraw/zinc/12/42/94/1162124294.db2.gz HPIQVEOEHOENRP-JBOJFFHUSA-N 1 3 317.477 2.477 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)C/C=C\c1ccccc1)N(C)C ZINC001401775435 1162124297 /nfs/dbraw/zinc/12/42/97/1162124297.db2.gz HPIQVEOEHOENRP-JBOJFFHUSA-N 1 3 317.477 2.477 20 0 DEADHO Cc1cc(C)cc(CN2CC[C@H]2CNC(=O)C[NH+]2CCCC2)c1 ZINC001401915441 1162180122 /nfs/dbraw/zinc/18/01/22/1162180122.db2.gz IRJLZGDFFLYACG-SFHVURJKSA-N 1 3 315.461 2.090 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001402084664 1162240668 /nfs/dbraw/zinc/24/06/68/1162240668.db2.gz VDZOUWPKTFMAGK-HZPDHXFCSA-N 1 3 313.461 2.047 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001402084664 1162240671 /nfs/dbraw/zinc/24/06/71/1162240671.db2.gz VDZOUWPKTFMAGK-HZPDHXFCSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001404100869 1163445377 /nfs/dbraw/zinc/44/53/77/1163445377.db2.gz WLKXNIZMYKYNDR-DLBZAZTESA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001404100869 1163445386 /nfs/dbraw/zinc/44/53/86/1163445386.db2.gz WLKXNIZMYKYNDR-DLBZAZTESA-N 1 3 311.514 2.447 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001405530416 1164136950 /nfs/dbraw/zinc/13/69/50/1164136950.db2.gz DKJHRJZPASSRIQ-KLHDSHLOSA-N 1 3 315.477 2.338 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC1CCCCC1)N(C)C ZINC001405714174 1164200257 /nfs/dbraw/zinc/20/02/57/1164200257.db2.gz GSWDJLLDZBOTMT-RDJZCZTQSA-N 1 3 311.514 2.495 20 0 DEADHO CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(F)c1)N(C)C ZINC001405886108 1164312330 /nfs/dbraw/zinc/31/23/30/1164312330.db2.gz GIIDBCVUCGLELW-RHSMWYFYSA-N 1 3 323.456 2.348 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CN(C)C(C)C)cc1F ZINC001405895040 1164318202 /nfs/dbraw/zinc/31/82/02/1164318202.db2.gz AYKFEWKBPSORPU-HNNXBMFYSA-N 1 3 323.456 2.411 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1F)C(C)C)N(C)C ZINC001406067132 1164420994 /nfs/dbraw/zinc/42/09/94/1164420994.db2.gz OHOIFKMJPCSWRA-IAGOWNOFSA-N 1 3 323.456 2.396 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001406564703 1164679388 /nfs/dbraw/zinc/67/93/88/1164679388.db2.gz UCIZGYFACJXXLS-GUYCJALGSA-N 1 3 321.440 2.248 20 0 DEADHO Cc1ccc(CN(C)C[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001406654110 1164766959 /nfs/dbraw/zinc/76/69/59/1164766959.db2.gz QEPIDSIUHAUHBX-MRXNPFEDSA-N 1 3 317.477 2.273 20 0 DEADHO C[N@@H+]1CC[C@H](CC(=O)NCC2(NCc3ccsc3)CCC2)C1 ZINC001407830236 1165334264 /nfs/dbraw/zinc/33/42/64/1165334264.db2.gz NJQMQBLODZIREN-CQSZACIVSA-N 1 3 321.490 2.218 20 0 DEADHO C[N@H+]1CC[C@H](CC(=O)NCC2(NCc3ccsc3)CCC2)C1 ZINC001407830236 1165334267 /nfs/dbraw/zinc/33/42/67/1165334267.db2.gz NJQMQBLODZIREN-CQSZACIVSA-N 1 3 321.490 2.218 20 0 DEADHO CC[C@H](F)C[N@@H+]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001407863832 1165353402 /nfs/dbraw/zinc/35/34/02/1165353402.db2.gz ZGYQDLONQAJEOD-LSDHHAIUSA-N 1 3 313.461 2.190 20 0 DEADHO CC[C@H](F)C[N@H+]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001407863832 1165353406 /nfs/dbraw/zinc/35/34/06/1165353406.db2.gz ZGYQDLONQAJEOD-LSDHHAIUSA-N 1 3 313.461 2.190 20 0 DEADHO CC[C@H](F)CN(C)CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001407932316 1165399534 /nfs/dbraw/zinc/39/95/34/1165399534.db2.gz XVSMTJGIYBAZGT-HNNXBMFYSA-N 1 3 313.461 2.143 20 0 DEADHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CC1CC2(CCC2)C1 ZINC001408211742 1165534123 /nfs/dbraw/zinc/53/41/23/1165534123.db2.gz KJQSEDYGZGTDLP-HOTGVXAUSA-N 1 3 321.509 2.393 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC(C)C)N(C)C ZINC001408309877 1165581218 /nfs/dbraw/zinc/58/12/18/1165581218.db2.gz QBBNSJHYGIATRO-FGTMMUONSA-N 1 3 317.477 2.354 20 0 DEADHO COC(=O)c1ccc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)nc1 ZINC001414156896 1165714970 /nfs/dbraw/zinc/71/49/70/1165714970.db2.gz KNNSCSBWYGRMRH-MRXNPFEDSA-N 1 3 317.433 2.032 20 0 DEADHO C[C@@H](C(=O)N(C)C[C@@H]1CCN1CC1CC1)[NH+]1CCCCCC1 ZINC001417738686 1167178695 /nfs/dbraw/zinc/17/86/95/1167178695.db2.gz HALQHYBIABTJPP-RDJZCZTQSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCCC1)N(C)C ZINC001417749251 1167185608 /nfs/dbraw/zinc/18/56/08/1167185608.db2.gz UDCBNMTWIJTMSV-IAGOWNOFSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCC1)N(C)C ZINC001417749251 1167185614 /nfs/dbraw/zinc/18/56/14/1167185614.db2.gz UDCBNMTWIJTMSV-IAGOWNOFSA-N 1 3 309.498 2.296 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2)C1)N(C)C ZINC001417768721 1167199689 /nfs/dbraw/zinc/19/96/89/1167199689.db2.gz AYJKBLOHOAXTIO-FGTMMUONSA-N 1 3 317.477 2.320 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)[C@@H]1C ZINC001417850866 1167258326 /nfs/dbraw/zinc/25/83/26/1167258326.db2.gz FLXBNIMDCYICFI-AEFFLSMTSA-N 1 3 317.477 2.416 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)[C@@H]1C ZINC001417850866 1167258335 /nfs/dbraw/zinc/25/83/35/1167258335.db2.gz FLXBNIMDCYICFI-AEFFLSMTSA-N 1 3 317.477 2.416 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CCc3cccs3)C2)CCC1 ZINC001418059687 1167388106 /nfs/dbraw/zinc/38/81/06/1167388106.db2.gz BRNNQDDVSKJXJW-HDJSIYSDSA-N 1 3 321.490 2.012 20 0 DEADHO Cc1cc(C[NH2+]C[C@H]2CCN(C(=O)CN(C)C(C)C)C2)cs1 ZINC001418349180 1167589552 /nfs/dbraw/zinc/58/95/52/1167589552.db2.gz JCINUSSMVUEBEF-OAHLLOKOSA-N 1 3 323.506 2.335 20 0 DEADHO C[C@@H](F)CCN1CC[C@H]1CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001418601004 1167835648 /nfs/dbraw/zinc/83/56/48/1167835648.db2.gz INZCCVNJBOKRNT-CVEARBPZSA-N 1 3 313.461 2.143 20 0 DEADHO CCC(CC)C[NH+]1CC(CNC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001419042705 1168154347 /nfs/dbraw/zinc/15/43/47/1168154347.db2.gz KDLKLWBLZWPKNV-HUUCEWRRSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CC2CCC2)C1)N(CC)CC ZINC001419121511 1168227622 /nfs/dbraw/zinc/22/76/22/1168227622.db2.gz LRRBAPQGRXOYGU-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](CC2CCC2)C1)N(CC)CC ZINC001419121511 1168227633 /nfs/dbraw/zinc/22/76/33/1168227633.db2.gz LRRBAPQGRXOYGU-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1cccc(F)c1 ZINC001419256302 1168351258 /nfs/dbraw/zinc/35/12/58/1168351258.db2.gz GIMTYBOWVPSQRC-HOTGVXAUSA-N 1 3 309.429 2.150 20 0 DEADHO CN(CC(=O)NC[C@@H]([NH2+]Cc1ccccc1)C1CC1)C1CCC1 ZINC001419268233 1168361438 /nfs/dbraw/zinc/36/14/38/1168361438.db2.gz STTUKBHUCPYIHI-GOSISDBHSA-N 1 3 315.461 2.155 20 0 DEADHO CN(CC(=O)NC[C@@H]([NH2+]C/C=C\Cl)C1CC1)CC(C)(C)C ZINC001419301729 1168385194 /nfs/dbraw/zinc/38/51/94/1168385194.db2.gz XMZZDNGCLNLLMM-BMWLXYDHSA-N 1 3 315.889 2.201 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cl)C1 ZINC001419522024 1168572935 /nfs/dbraw/zinc/57/29/35/1168572935.db2.gz ZDTLTUFCXLOCLY-GASCZTMLSA-N 1 3 323.868 2.417 20 0 DEADHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCc1ccccc1 ZINC001420133742 1169186257 /nfs/dbraw/zinc/18/62/57/1169186257.db2.gz VCJHHMCVIYHYFA-IAGOWNOFSA-N 1 3 317.477 2.055 20 0 DEADHO C[C@H](c1ccc(F)cc1)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001420215865 1169252693 /nfs/dbraw/zinc/25/26/93/1169252693.db2.gz BMSJQVMVNLECPR-CKEIUWERSA-N 1 3 321.440 2.275 20 0 DEADHO C[C@H](c1ccc(F)cc1)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001420215865 1169252703 /nfs/dbraw/zinc/25/27/03/1169252703.db2.gz BMSJQVMVNLECPR-CKEIUWERSA-N 1 3 321.440 2.275 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]Cc1cccc(Cl)c1 ZINC001420375637 1169428664 /nfs/dbraw/zinc/42/86/64/1169428664.db2.gz HLPSDLKAIJIEKX-CYBMUJFWSA-N 1 3 311.857 2.275 20 0 DEADHO C[C@H]([NH2+]CCC1CC1)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001420751033 1171106432 /nfs/dbraw/zinc/10/64/32/1171106432.db2.gz SWDTZCXRIXLFEW-HNNXBMFYSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](C(=O)N[C@@H](C[NH2+]CC1CC1)C1CC1)N1CCCCCC1 ZINC001420775596 1171143773 /nfs/dbraw/zinc/14/37/73/1171143773.db2.gz XYFGLZDGKIGFHM-YOEHRIQHSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CC2CC2)C1 ZINC001420880760 1171316018 /nfs/dbraw/zinc/31/60/18/1171316018.db2.gz WWWUIUHERBPJLL-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001420880760 1171316025 /nfs/dbraw/zinc/31/60/25/1171316025.db2.gz WWWUIUHERBPJLL-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1(C)CC[NH+](CC2CC2)CC1)N(C)C ZINC001421274408 1171660112 /nfs/dbraw/zinc/66/01/12/1171660112.db2.gz QVUXPLVFIXIBQG-INIZCTEOSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@H](CNC(=O)[C@@H]1CCCCN1C(C)C)[NH2+]C/C=C/Cl ZINC001421459118 1171808193 /nfs/dbraw/zinc/80/81/93/1171808193.db2.gz XIUBZXHRHZZFOY-MMCPSDEHSA-N 1 3 315.889 2.486 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)CC1 ZINC001421680154 1171898003 /nfs/dbraw/zinc/89/80/03/1171898003.db2.gz IWSNVNSVLKUHNM-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+]CC2CC(F)(F)C2)CCC1 ZINC001421804933 1172006279 /nfs/dbraw/zinc/00/62/79/1172006279.db2.gz OAMHENQJPFTRLS-UHFFFAOYSA-N 1 3 317.424 2.000 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C[NH2+]CC1CC(C)C1)CC(C)C ZINC001422019986 1172237470 /nfs/dbraw/zinc/23/74/70/1172237470.db2.gz SWCLPIRDMJBDKH-BCLQGDPASA-N 1 3 320.481 2.427 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C)C1 ZINC001422048859 1172256134 /nfs/dbraw/zinc/25/61/34/1172256134.db2.gz NUXDGUCVVADWCX-FUHWJXTLSA-N 1 3 317.477 2.273 20 0 DEADHO CN(CC(=O)N1CCC(C)([NH2+]CC2CC2)CC1)CC(C)(C)C ZINC001422055859 1172261349 /nfs/dbraw/zinc/26/13/49/1172261349.db2.gz OACYDLCFLHETKN-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CCCC[NH+]1CC([C@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001422722356 1172830399 /nfs/dbraw/zinc/83/03/99/1172830399.db2.gz AQQONKNHIAWKHD-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCN2CC2CC3(CCC3)C2)C1 ZINC001423163021 1173133024 /nfs/dbraw/zinc/13/30/24/1173133024.db2.gz CXMKOCSMFSSEPY-NVXWUHKLSA-N 1 3 319.493 2.099 20 0 DEADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CCN2CC2CC3(CCC3)C2)C1 ZINC001423163021 1173133032 /nfs/dbraw/zinc/13/30/32/1173133032.db2.gz CXMKOCSMFSSEPY-NVXWUHKLSA-N 1 3 319.493 2.099 20 0 DEADHO CCCn1cc(CN(C)CCN(C)C2CC[NH+](C)CC2)c(C)n1 ZINC001423194830 1173160082 /nfs/dbraw/zinc/16/00/82/1173160082.db2.gz ITYINBAGWSHHTE-UHFFFAOYSA-N 1 3 321.513 2.059 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001423329769 1173248422 /nfs/dbraw/zinc/24/84/22/1173248422.db2.gz PBARNGLZEZJECI-AEFFLSMTSA-N 1 3 317.477 2.414 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CCC(F)(F)F)CCN1C(=O)CN1CCCC1 ZINC001423451644 1173356431 /nfs/dbraw/zinc/35/64/31/1173356431.db2.gz LJQFJUGDRPAWEG-CHWSQXEVSA-N 1 3 321.387 2.004 20 0 DEADHO COc1ccc(CNC[C@@H]2C[NH+]3CCC2CC3)c(C)c1OC ZINC001423483684 1173368312 /nfs/dbraw/zinc/36/83/12/1173368312.db2.gz SASHDKNCEWKNFY-MRXNPFEDSA-N 1 3 304.434 2.444 20 0 DEADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(C)cc2)C1)N(C)C ZINC001423690428 1173492667 /nfs/dbraw/zinc/49/26/67/1173492667.db2.gz RXNJARVEMOQZSG-ABHNRTSZSA-N 1 3 317.477 2.414 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC001423943617 1173585259 /nfs/dbraw/zinc/58/52/59/1173585259.db2.gz CXJMOABNVXYMER-HOCLYGCPSA-N 1 3 323.506 2.274 20 0 DEADHO CN(CCC[N@H+](C)Cc1ccccc1)C(=O)[C@@H]1CCCN1C ZINC001424276845 1173733527 /nfs/dbraw/zinc/73/35/27/1173733527.db2.gz VWBISNSOORFECY-KRWDZBQOSA-N 1 3 303.450 2.061 20 0 DEADHO CN(CCC[N@@H+](C)Cc1ccccc1)C(=O)[C@@H]1CCCN1C ZINC001424276845 1173733534 /nfs/dbraw/zinc/73/35/34/1173733534.db2.gz VWBISNSOORFECY-KRWDZBQOSA-N 1 3 303.450 2.061 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC(C)([NH2+]C/C=C/Cl)CC2)C1 ZINC001424489758 1173808238 /nfs/dbraw/zinc/80/82/38/1173808238.db2.gz HZQZSEQMYWAWBC-UFZAZABTSA-N 1 3 313.873 2.051 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)C(C)C)c(C)n1 ZINC001424858175 1173994186 /nfs/dbraw/zinc/99/41/86/1173994186.db2.gz PDJDEQQQIYVHIP-LSDHHAIUSA-N 1 3 320.481 2.021 20 0 DEADHO Cc1ccc(CN2CC([C@@H](C)NC(=O)CC[NH+](C)C)C2)cc1C ZINC001425252327 1174260535 /nfs/dbraw/zinc/26/05/35/1174260535.db2.gz IEYAXUJOFXIOLK-MRXNPFEDSA-N 1 3 317.477 2.192 20 0 DEADHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(C)c1)N(C)C ZINC001425591463 1174388283 /nfs/dbraw/zinc/38/82/83/1174388283.db2.gz HGMTZEVGRSHXDD-NVXWUHKLSA-N 1 3 305.466 2.272 20 0 DEADHO CC(C)(C)CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC001425960282 1174538783 /nfs/dbraw/zinc/53/87/83/1174538783.db2.gz YRXYYFKWZSXUKG-CQSZACIVSA-N 1 3 306.454 2.215 20 0 DEADHO CC[NH+](CC)CC[C@H](C)NC(=O)N(CCN(C)C)C(C)C ZINC001428403956 1175353371 /nfs/dbraw/zinc/35/33/71/1175353371.db2.gz CLFYFPBXAPRRGK-HNNXBMFYSA-N 1 3 300.491 2.088 20 0 DEADHO CO[C@H](CC[NH2+]Cc1cc2c(s1)CCNC2)C(F)(F)F ZINC001578900269 1177053950 /nfs/dbraw/zinc/05/39/50/1177053950.db2.gz DJXWCXBKCZOQKH-GFCCVEGCSA-N 1 3 308.369 2.451 20 0 DEADHO CC[C@H](C)C[C@H](CO)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001434527167 1178775030 /nfs/dbraw/zinc/77/50/30/1178775030.db2.gz MFHURTXKKDWMTR-PBHCIXSXSA-N 1 3 312.498 2.407 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001436369733 1179065780 /nfs/dbraw/zinc/06/57/80/1179065780.db2.gz XFSWHFKIBCIIKW-WOVMCDHWSA-N 1 3 321.440 2.152 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001436935017 1179308113 /nfs/dbraw/zinc/30/81/13/1179308113.db2.gz LVZRUSRPRAKXKQ-KBRIMQKVSA-N 1 3 321.440 2.464 20 0 DEADHO CC[C@@H](C)C[N@H+](C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001437328602 1179725419 /nfs/dbraw/zinc/72/54/19/1179725419.db2.gz BQEZVUQZQMNWGR-HZPDHXFCSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001437328602 1179725435 /nfs/dbraw/zinc/72/54/35/1179725435.db2.gz BQEZVUQZQMNWGR-HZPDHXFCSA-N 1 3 309.498 2.440 20 0 DEADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccc(F)cc1C ZINC001437648897 1179875166 /nfs/dbraw/zinc/87/51/66/1179875166.db2.gz VPWJEYIANLDKQX-INIZCTEOSA-N 1 3 321.440 2.024 20 0 DEADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccc(F)cc1C ZINC001437648897 1179875174 /nfs/dbraw/zinc/87/51/74/1179875174.db2.gz VPWJEYIANLDKQX-INIZCTEOSA-N 1 3 321.440 2.024 20 0 DEADHO CCC[N@H+](CCNC(=O)Cc1nc[nH]c1C)CC1CC(C)C1 ZINC001437764217 1179961953 /nfs/dbraw/zinc/96/19/53/1179961953.db2.gz HGZNDUGAJFUMMV-UHFFFAOYSA-N 1 3 306.454 2.135 20 0 DEADHO CCC[N@@H+](CCNC(=O)Cc1nc[nH]c1C)CC1CC(C)C1 ZINC001437764217 1179961962 /nfs/dbraw/zinc/96/19/62/1179961962.db2.gz HGZNDUGAJFUMMV-UHFFFAOYSA-N 1 3 306.454 2.135 20 0 DEADHO CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001437991027 1180141829 /nfs/dbraw/zinc/14/18/29/1180141829.db2.gz ORQPIQDSRUHPFU-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001437991027 1180141833 /nfs/dbraw/zinc/14/18/33/1180141833.db2.gz ORQPIQDSRUHPFU-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1 ZINC001438725761 1180796650 /nfs/dbraw/zinc/79/66/50/1180796650.db2.gz WNBYGKNGJXKATP-HNNXBMFYSA-N 1 3 321.440 2.166 20 0 DEADHO CC(C)[C@@H](CNC(=O)[C@@H](C)N1CCCCCC1)[NH2+]CC1CC1 ZINC001438835143 1180825690 /nfs/dbraw/zinc/82/56/90/1180825690.db2.gz ORDVYLARUBNTJD-NVXWUHKLSA-N 1 3 309.498 2.391 20 0 DEADHO CCc1ccc(CN(C)CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001438935321 1180857098 /nfs/dbraw/zinc/85/70/98/1180857098.db2.gz BUYNMNIJLKMCIN-SFHVURJKSA-N 1 3 317.477 2.091 20 0 DEADHO CCc1ccc(CN(C)CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001438935321 1180857099 /nfs/dbraw/zinc/85/70/99/1180857099.db2.gz BUYNMNIJLKMCIN-SFHVURJKSA-N 1 3 317.477 2.091 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@H+](C)CC1CC2(CCC2)C1 ZINC001439401751 1181073369 /nfs/dbraw/zinc/07/33/69/1181073369.db2.gz CITZRJXOOQDKOH-HNNXBMFYSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)CC1CC2(CCC2)C1 ZINC001439401751 1181073372 /nfs/dbraw/zinc/07/33/72/1181073372.db2.gz CITZRJXOOQDKOH-HNNXBMFYSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)N[C@H](C[NH2+]Cc1cccc(C)c1)C1CC1)N(C)C ZINC001439485997 1181108907 /nfs/dbraw/zinc/10/89/07/1181108907.db2.gz PQFUKPRJAYUODP-QZTJIDSGSA-N 1 3 317.477 2.320 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@]1(C)CCC[N@@H+](CC[C@@H](C)F)C1 ZINC001439948951 1181324893 /nfs/dbraw/zinc/32/48/93/1181324893.db2.gz MOKIFQVEYYMYDK-WBVHZDCISA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@]1(C)CCC[N@H+](CC[C@@H](C)F)C1 ZINC001439948951 1181324900 /nfs/dbraw/zinc/32/49/00/1181324900.db2.gz MOKIFQVEYYMYDK-WBVHZDCISA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)[C@@H]1C)N1CCCC1 ZINC001440507188 1181570311 /nfs/dbraw/zinc/57/03/11/1181570311.db2.gz FLUMIRIYIHVOAS-HYVNUMGLSA-N 1 3 307.482 2.096 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CC2)[C@@H]1C)N1CCCC1 ZINC001440507188 1181570321 /nfs/dbraw/zinc/57/03/21/1181570321.db2.gz FLUMIRIYIHVOAS-HYVNUMGLSA-N 1 3 307.482 2.096 20 0 DEADHO CCCN(C)CC(=O)NCc1ccc2c(c1)C[N@@H+](CC1CC1)C2 ZINC001440578096 1181599220 /nfs/dbraw/zinc/59/92/20/1181599220.db2.gz DTCSQQAORBBPHC-UHFFFAOYSA-N 1 3 315.461 2.370 20 0 DEADHO CCCN(C)CC(=O)NCc1ccc2c(c1)C[N@H+](CC1CC1)C2 ZINC001440578096 1181599223 /nfs/dbraw/zinc/59/92/23/1181599223.db2.gz DTCSQQAORBBPHC-UHFFFAOYSA-N 1 3 315.461 2.370 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC12CC[NH+](CCC1CC1)CC2)N(C)C ZINC001441142533 1181867062 /nfs/dbraw/zinc/86/70/62/1181867062.db2.gz PCXMRPMCMJYRDT-IRXDYDNUSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)C1C[NH+](CC2CC(C)(C)C2)C1)N(C)C ZINC001441194684 1181890598 /nfs/dbraw/zinc/89/05/98/1181890598.db2.gz BJMUZQBLJKRAPT-YOEHRIQHSA-N 1 3 323.525 2.445 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H](CN(C)CCF)C1)[NH+](CC)CC ZINC001441311152 1181940849 /nfs/dbraw/zinc/94/08/49/1181940849.db2.gz XJMGWIYRVDXCBO-CVEARBPZSA-N 1 3 315.477 2.247 20 0 DEADHO CCCN(C)CC(=O)N1CCC([N@H+](C)C/C=C/Cl)CC1 ZINC001441393426 1181973615 /nfs/dbraw/zinc/97/36/15/1181973615.db2.gz LCKATUSNBVSCAO-VMPITWQZSA-N 1 3 301.862 2.004 20 0 DEADHO CCCN(C)CC(=O)N1CCC([N@@H+](C)C/C=C/Cl)CC1 ZINC001441393426 1181973621 /nfs/dbraw/zinc/97/36/21/1181973621.db2.gz LCKATUSNBVSCAO-VMPITWQZSA-N 1 3 301.862 2.004 20 0 DEADHO CN(CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CC1)CC(C)(C)C ZINC001441653464 1182114859 /nfs/dbraw/zinc/11/48/59/1182114859.db2.gz ANCJOLYNJSVSAR-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1C[C@H](NC/C=C\Cl)CN1C(=O)CC[NH+]1CCCCC1 ZINC001441835022 1182205498 /nfs/dbraw/zinc/20/54/98/1182205498.db2.gz MJTYMTXEJNVKTN-IORUMNFESA-N 1 3 313.873 2.194 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]Cc2cccc(F)c2)C[C@H]1C ZINC001441838107 1182206595 /nfs/dbraw/zinc/20/65/95/1182206595.db2.gz PVZUFVSBOVTXOI-RHSMWYFYSA-N 1 3 321.440 2.245 20 0 DEADHO C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCc1cccc(F)c1 ZINC001441855683 1182218531 /nfs/dbraw/zinc/21/85/31/1182218531.db2.gz FVRFQPFRZBOFSG-RHSMWYFYSA-N 1 3 321.440 2.294 20 0 DEADHO C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCc1cccc(F)c1 ZINC001441855683 1182218540 /nfs/dbraw/zinc/21/85/40/1182218540.db2.gz FVRFQPFRZBOFSG-RHSMWYFYSA-N 1 3 321.440 2.294 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccc(CF)cc1 ZINC001441953137 1182266393 /nfs/dbraw/zinc/26/63/93/1182266393.db2.gz REFCYHUWASUGQX-CABCVRRESA-N 1 3 321.440 2.092 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[NH2+]CCC1CCCCC1 ZINC001442023924 1182292168 /nfs/dbraw/zinc/29/21/68/1182292168.db2.gz SMQQTUOFEQPPIF-ZDUSSCGKSA-N 1 3 306.454 2.325 20 0 DEADHO CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001442257806 1182393369 /nfs/dbraw/zinc/39/33/69/1182393369.db2.gz FFEJLMOHXUACMF-OFLPRAFFSA-N 1 3 321.440 2.245 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]CC2CCCCC2)C1 ZINC001442260908 1182394306 /nfs/dbraw/zinc/39/43/06/1182394306.db2.gz QJIAQYCCWQEITO-UHFFFAOYSA-N 1 3 309.498 2.486 20 0 DEADHO CCN(CCNC(=O)CC[NH+](C)C)Cc1cc(F)ccc1C ZINC001442727488 1182670404 /nfs/dbraw/zinc/67/04/04/1182670404.db2.gz OJHZSHQFCDHMLX-UHFFFAOYSA-N 1 3 309.429 2.024 20 0 DEADHO C[C@H](F)CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001442888805 1182770182 /nfs/dbraw/zinc/77/01/82/1182770182.db2.gz QECKJZVJMSKMOV-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H](F)CC[N@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001442888805 1182770192 /nfs/dbraw/zinc/77/01/92/1182770192.db2.gz QECKJZVJMSKMOV-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO CCC[N@H+](CCNC(=O)CN1[C@@H](C)CC[C@@H]1C)CC1CCC1 ZINC001442969011 1182814597 /nfs/dbraw/zinc/81/45/97/1182814597.db2.gz PMLILXXDBJAOPK-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@@H+](CCNC(=O)CN1[C@@H](C)CC[C@@H]1C)CC1CCC1 ZINC001442969011 1182814600 /nfs/dbraw/zinc/81/46/00/1182814600.db2.gz PMLILXXDBJAOPK-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCN1CC1CCC1)[NH+]1CCCCC1 ZINC001446126411 1184238043 /nfs/dbraw/zinc/23/80/43/1184238043.db2.gz LLKWYJKBPVZURZ-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1cc(C[NH2+]C2(CNC(=O)CN(C)C(C)C)CC2)c(C)s1 ZINC001446299958 1184301429 /nfs/dbraw/zinc/30/14/29/1184301429.db2.gz QOJFHDGQNJIGCC-UHFFFAOYSA-N 1 3 323.506 2.444 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C ZINC001446953430 1184590136 /nfs/dbraw/zinc/59/01/36/1184590136.db2.gz LIQDDYFPAGSIAY-BJWYYQGGSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C ZINC001446953430 1184590146 /nfs/dbraw/zinc/59/01/46/1184590146.db2.gz LIQDDYFPAGSIAY-BJWYYQGGSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC(C)([NH2+]CC[C@H](C)F)CC1 ZINC001447570447 1184813593 /nfs/dbraw/zinc/81/35/93/1184813593.db2.gz QIDWRAQMCAGXFG-AWEZNQCLSA-N 1 3 301.450 2.045 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C[NH2+]CC1CC(C)C1)C(C)(C)C ZINC001449329468 1185656092 /nfs/dbraw/zinc/65/60/92/1185656092.db2.gz QAEMBQWSEUXKTD-GPANFISMSA-N 1 3 311.514 2.495 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH2+]C(C)C)C1 ZINC001449369799 1185681551 /nfs/dbraw/zinc/68/15/51/1185681551.db2.gz PPDDYCYCSDHDGN-QWHCGFSZSA-N 1 3 323.403 2.106 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](CNCCF)C(C)(C)C)[NH+]1CCCC1 ZINC001332897957 1149919040 /nfs/dbraw/zinc/91/90/40/1149919040.db2.gz FNGPCWPTUWNMIK-LSDHHAIUSA-N 1 3 315.477 2.197 20 0 DEADHO CC[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106255435 782579121 /nfs/dbraw/zinc/57/91/21/782579121.db2.gz RGTVKLBEHHDTRN-ARFHVFGLSA-N 1 3 309.498 2.201 20 0 DEADHO CCC[N@@H+]1CC[C@@H](NC(=O)CN2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493647 783159869 /nfs/dbraw/zinc/15/98/69/783159869.db2.gz YNFVRHMKDGIXMK-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CC[C@@H](NC(=O)CN2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493647 783159876 /nfs/dbraw/zinc/15/98/76/783159876.db2.gz YNFVRHMKDGIXMK-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](C(C)C)CC(C)(C)C1 ZINC001089548068 783197759 /nfs/dbraw/zinc/19/77/59/783197759.db2.gz FTVHPLXWDRJLIY-AWEZNQCLSA-N 1 3 306.454 2.276 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](C(C)C)CC(C)(C)C1 ZINC001089548068 783197765 /nfs/dbraw/zinc/19/77/65/783197765.db2.gz FTVHPLXWDRJLIY-AWEZNQCLSA-N 1 3 306.454 2.276 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]CCc2ccccc2)C1 ZINC001211278262 777028562 /nfs/dbraw/zinc/02/85/62/777028562.db2.gz QXXOZOSJCZLATO-SFHVURJKSA-N 1 3 317.477 2.150 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1cncs1 ZINC001167636605 777413436 /nfs/dbraw/zinc/41/34/36/777413436.db2.gz WCNNYFJNVMGVOU-OAHLLOKOSA-N 1 3 324.494 2.002 20 0 DEADHO CCC(CC)C[NH2+]C1CC(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001100678341 777688678 /nfs/dbraw/zinc/68/86/78/777688678.db2.gz HRNFRMNSYCFURM-OOHWJJMZSA-N 1 3 309.498 2.249 20 0 DEADHO CCN(CC)CC(=O)NCCC1=CC[N@H+](CC[C@H](C)F)CC1 ZINC001161504062 778501928 /nfs/dbraw/zinc/50/19/28/778501928.db2.gz ADTIEZDKADDHOV-HNNXBMFYSA-N 1 3 313.461 2.215 20 0 DEADHO CCN(CC)CC(=O)NCCC1=CC[N@@H+](CC[C@H](C)F)CC1 ZINC001161504062 778501932 /nfs/dbraw/zinc/50/19/32/778501932.db2.gz ADTIEZDKADDHOV-HNNXBMFYSA-N 1 3 313.461 2.215 20 0 DEADHO CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001112529732 778606935 /nfs/dbraw/zinc/60/69/35/778606935.db2.gz MFWVILCWKDMQIV-LNLFQRSKSA-N 1 3 321.509 2.489 20 0 DEADHO N=C(NCCCC[NH3+])Nc1cc(Cl)nc(-c2ccccc2)n1 ZINC001167879894 778743038 /nfs/dbraw/zinc/74/30/38/778743038.db2.gz RJSBACYBFRHAJK-UHFFFAOYSA-N 1 3 318.812 2.472 20 0 DEADHO CCC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1c1ccccc1 ZINC001211711539 778757708 /nfs/dbraw/zinc/75/77/08/778757708.db2.gz LCYGWNWQLPLWFR-ZWKOTPCHSA-N 1 3 317.477 2.322 20 0 DEADHO C[C@@H]1C[C@@H](NC[C@H]2CCC(=O)N2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168008657 779291921 /nfs/dbraw/zinc/29/19/21/779291921.db2.gz FQXHBUFOOAJVJG-CYGHRXIMSA-N 1 3 315.461 2.296 20 0 DEADHO C[C@@H]1C[C@@H](NC[C@H]2CCC(=O)N2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168008657 779291923 /nfs/dbraw/zinc/29/19/23/779291923.db2.gz FQXHBUFOOAJVJG-CYGHRXIMSA-N 1 3 315.461 2.296 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CCCC3)CC[C@@H]2C1)N(C)C ZINC001088010976 779632234 /nfs/dbraw/zinc/63/22/34/779632234.db2.gz SSHFJZMSBUDOKH-FGTMMUONSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CC3CCCC3)CC[C@@H]2C1)N(C)C ZINC001088010976 779632238 /nfs/dbraw/zinc/63/22/38/779632238.db2.gz SSHFJZMSBUDOKH-FGTMMUONSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CCC3)CC[C@@H]2C1)N(C)C ZINC001088095542 779697270 /nfs/dbraw/zinc/69/72/70/779697270.db2.gz TVNCVAMOHVZNAD-FGTMMUONSA-N 1 3 321.509 2.153 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CC3CCC3)CC[C@@H]2C1)N(C)C ZINC001088095542 779697274 /nfs/dbraw/zinc/69/72/74/779697274.db2.gz TVNCVAMOHVZNAD-FGTMMUONSA-N 1 3 321.509 2.153 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088105891 779705215 /nfs/dbraw/zinc/70/52/15/779705215.db2.gz GQDUHBRUWAHHKB-KSZLIROESA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088105891 779705219 /nfs/dbraw/zinc/70/52/19/779705219.db2.gz GQDUHBRUWAHHKB-KSZLIROESA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC2)[C@@H]1C ZINC001088693085 780828561 /nfs/dbraw/zinc/82/85/61/780828561.db2.gz KQSIDYIDHYGWGN-PVAVHDDUSA-N 1 3 307.482 2.096 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC2)[C@@H]1C ZINC001088693085 780828568 /nfs/dbraw/zinc/82/85/68/780828568.db2.gz KQSIDYIDHYGWGN-PVAVHDDUSA-N 1 3 307.482 2.096 20 0 DEADHO c1n[nH]nc1CN1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001203214341 780855650 /nfs/dbraw/zinc/85/56/50/780855650.db2.gz YBYJOAGNZRQXHW-IAGOWNOFSA-N 1 3 311.433 2.149 20 0 DEADHO c1n[nH]nc1CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001203214341 780855658 /nfs/dbraw/zinc/85/56/58/780855658.db2.gz YBYJOAGNZRQXHW-IAGOWNOFSA-N 1 3 311.433 2.149 20 0 DEADHO c1[nH]nnc1CN1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001203214341 780855661 /nfs/dbraw/zinc/85/56/61/780855661.db2.gz YBYJOAGNZRQXHW-IAGOWNOFSA-N 1 3 311.433 2.149 20 0 DEADHO c1[nH]nnc1CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001203214341 780855673 /nfs/dbraw/zinc/85/56/73/780855673.db2.gz YBYJOAGNZRQXHW-IAGOWNOFSA-N 1 3 311.433 2.149 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCF ZINC001085352583 783649315 /nfs/dbraw/zinc/64/93/15/783649315.db2.gz NXHSCEHFJGJHJE-BZUAXINKSA-N 1 3 313.461 2.236 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(C)C1 ZINC001085406424 783669682 /nfs/dbraw/zinc/66/96/82/783669682.db2.gz FKZUOOFEXZSKEF-AHNOJICISA-N 1 3 318.465 2.324 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCC1 ZINC001085589371 783868196 /nfs/dbraw/zinc/86/81/96/783868196.db2.gz KIZMVILQEBTIQL-IAGOWNOFSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCC1 ZINC001085589371 783868199 /nfs/dbraw/zinc/86/81/99/783868199.db2.gz KIZMVILQEBTIQL-IAGOWNOFSA-N 1 3 307.482 2.192 20 0 DEADHO C[C@@H]1CC[N@H+](CC2CCC2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC000967204312 783902541 /nfs/dbraw/zinc/90/25/41/783902541.db2.gz HZZRRTOWNVUYFL-NVXWUHKLSA-N 1 3 319.493 2.242 20 0 DEADHO C[C@@H]1CC[N@@H+](CC2CCC2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC000967204312 783902548 /nfs/dbraw/zinc/90/25/48/783902548.db2.gz HZZRRTOWNVUYFL-NVXWUHKLSA-N 1 3 319.493 2.242 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCCN1C(C)C ZINC001085856350 784151433 /nfs/dbraw/zinc/15/14/33/784151433.db2.gz XAIHFUQGAWBUDA-DLBZAZTESA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCCN1C(C)C ZINC001085856350 784151436 /nfs/dbraw/zinc/15/14/36/784151436.db2.gz XAIHFUQGAWBUDA-DLBZAZTESA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)N1CC[C@H]1CN(C)C(=O)c1ccccc1C[NH+](C)C ZINC001085987009 784284585 /nfs/dbraw/zinc/28/45/85/784284585.db2.gz RLROFGBQJNNKJL-INIZCTEOSA-N 1 3 303.450 2.303 20 0 DEADHO CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCN1CC(C)C ZINC000968928282 784653261 /nfs/dbraw/zinc/65/32/61/784653261.db2.gz HDORGHLLOZDLJS-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCN1CC(C)C ZINC000968928282 784653262 /nfs/dbraw/zinc/65/32/62/784653262.db2.gz HDORGHLLOZDLJS-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC2)C1 ZINC001086497437 784794854 /nfs/dbraw/zinc/79/48/54/784794854.db2.gz LQKLLDWDJNDFCS-BRWVUGGUSA-N 1 3 307.482 2.144 20 0 DEADHO CC(C)N1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001007497843 784935154 /nfs/dbraw/zinc/93/51/54/784935154.db2.gz GBUWJJVVOUTSKK-NVXWUHKLSA-N 1 3 307.482 2.382 20 0 DEADHO CC(C)N1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001007497843 784935160 /nfs/dbraw/zinc/93/51/60/784935160.db2.gz GBUWJJVVOUTSKK-NVXWUHKLSA-N 1 3 307.482 2.382 20 0 DEADHO CCN(CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C)C(=O)OC(C)(C)C ZINC001169102127 785034643 /nfs/dbraw/zinc/03/46/43/785034643.db2.gz XGMAPZVHLPTTKV-QDMKHBRRSA-N 1 3 311.470 2.458 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C/C=C/CNC(=O)OC(C)(C)C)C2 ZINC001169112734 785059079 /nfs/dbraw/zinc/05/90/79/785059079.db2.gz SBWUULUAPVQALF-ISFILERXSA-N 1 3 309.454 2.282 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1nc(C(F)(F)F)c3c1CNCC3)C2 ZINC001169155337 785072185 /nfs/dbraw/zinc/07/21/85/785072185.db2.gz NGSQMBXYALRMQS-URLYPYJESA-N 1 3 314.355 2.345 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1nc(C(F)(F)F)c3c1CNCC3)C2 ZINC001169155337 785072196 /nfs/dbraw/zinc/07/21/96/785072196.db2.gz NGSQMBXYALRMQS-URLYPYJESA-N 1 3 314.355 2.345 20 0 DEADHO CCN1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008065095 785095323 /nfs/dbraw/zinc/09/53/23/785095323.db2.gz YUNCZJGREMEKFU-INIZCTEOSA-N 1 3 303.450 2.005 20 0 DEADHO CC[NH+]1CCC(N2C[C@H](C(=O)OC)[C@H](c3ccccc3)C2)CC1 ZINC001169265584 785103770 /nfs/dbraw/zinc/10/37/70/785103770.db2.gz YKSKHBMJBSMXFZ-ROUUACIJSA-N 1 3 316.445 2.359 20 0 DEADHO CC(=O)N1CCC[C@H](NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)C1 ZINC001169596732 785255587 /nfs/dbraw/zinc/25/55/87/785255587.db2.gz JMBLKYAVUMOKCJ-MJGOQNOKSA-N 1 3 319.493 2.408 20 0 DEADHO C[C@H](C(=O)N[C@H]1CCC[N@H+](CC2CC2)C1)N1CCCCCC1 ZINC001008751352 785294737 /nfs/dbraw/zinc/29/47/37/785294737.db2.gz ZNGCQAJMSCRALH-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H](C(=O)N[C@H]1CCC[N@@H+](CC2CC2)C1)N1CCCCCC1 ZINC001008751352 785294740 /nfs/dbraw/zinc/29/47/40/785294740.db2.gz ZNGCQAJMSCRALH-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO CCOC(=O)N1CCC[C@H]([NH+]2CCC3(CN(C)C3)CC2)CC1 ZINC001169707820 785319204 /nfs/dbraw/zinc/31/92/04/785319204.db2.gz WACBUVJGUNBSAU-HNNXBMFYSA-N 1 3 309.454 2.025 20 0 DEADHO O=C(c1ccccc1)N1CCC[C@@H]([NH2+]CCCN2CCCC2)C1 ZINC001169713286 785321648 /nfs/dbraw/zinc/32/16/48/785321648.db2.gz LNOWSXGXVRADCG-GOSISDBHSA-N 1 3 315.461 2.367 20 0 DEADHO O=C(c1ccccc1)N1CCC[C@@H](NCCC[NH+]2CCCC2)C1 ZINC001169713286 785321658 /nfs/dbraw/zinc/32/16/58/785321658.db2.gz LNOWSXGXVRADCG-GOSISDBHSA-N 1 3 315.461 2.367 20 0 DEADHO CC(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C1CCC1)C2 ZINC001108704171 785495158 /nfs/dbraw/zinc/49/51/58/785495158.db2.gz DCEXVCFSWBORTF-JZXOWHBKSA-N 1 3 321.509 2.486 20 0 DEADHO C[C@@H]([NH2+]CCNC(=O)C1(N(C)C)CCC1)c1cccc(F)c1 ZINC001129380215 785685323 /nfs/dbraw/zinc/68/53/23/785685323.db2.gz FTSFWVJCPVBVEV-CYBMUJFWSA-N 1 3 307.413 2.077 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001014623404 786664001 /nfs/dbraw/zinc/66/40/01/786664001.db2.gz BNPPUCHDFYUEOG-IAGOWNOFSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001014623404 786664008 /nfs/dbraw/zinc/66/40/08/786664008.db2.gz BNPPUCHDFYUEOG-IAGOWNOFSA-N 1 3 321.509 2.488 20 0 DEADHO CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001015392779 787031342 /nfs/dbraw/zinc/03/13/42/787031342.db2.gz QCXJPBJTLFTFDA-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CCC(CC)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001015392779 787031352 /nfs/dbraw/zinc/03/13/52/787031352.db2.gz QCXJPBJTLFTFDA-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1ccccc1CN1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015648184 787156324 /nfs/dbraw/zinc/15/63/24/787156324.db2.gz DOQYRGZWOZKRRC-GOSISDBHSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccccc1CCC[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129535416 787225292 /nfs/dbraw/zinc/22/52/92/787225292.db2.gz QDRLMKHMJQTJJM-UHFFFAOYSA-N 1 3 317.477 2.118 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCNCc1cccc(F)c1 ZINC001130710884 787461942 /nfs/dbraw/zinc/46/19/42/787461942.db2.gz HTISIEYNLLFPBN-KRWDZBQOSA-N 1 3 321.440 2.152 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCNCc1cccc(F)c1 ZINC001130710884 787461949 /nfs/dbraw/zinc/46/19/49/787461949.db2.gz HTISIEYNLLFPBN-KRWDZBQOSA-N 1 3 321.440 2.152 20 0 DEADHO C[C@H](NCCNC(=O)C12CCC[NH+]1CCC2)c1ccccc1F ZINC001130810092 787478441 /nfs/dbraw/zinc/47/84/41/787478441.db2.gz MTDOEECPASCFSE-AWEZNQCLSA-N 1 3 319.424 2.221 20 0 DEADHO C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC1)N1CCCCCC1 ZINC001096101216 787505763 /nfs/dbraw/zinc/50/57/63/787505763.db2.gz PKHFJCLVVORRRT-RANZSIQMSA-N 1 3 319.493 2.382 20 0 DEADHO C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC1)N1CCCCCC1 ZINC001096101216 787505768 /nfs/dbraw/zinc/50/57/68/787505768.db2.gz PKHFJCLVVORRRT-RANZSIQMSA-N 1 3 319.493 2.382 20 0 DEADHO C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)CN1Cc1ccccc1 ZINC001132272934 788004065 /nfs/dbraw/zinc/00/40/65/788004065.db2.gz CENVHJJURGAPHV-DOTOQJQBSA-N 1 3 303.450 2.107 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCNCc2cccc(F)c2)C1 ZINC001132738062 788179388 /nfs/dbraw/zinc/17/93/88/788179388.db2.gz UYMMQLGBVHUMQM-MRXNPFEDSA-N 1 3 321.440 2.154 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCNCc2cccc(F)c2)C1 ZINC001132738062 788179393 /nfs/dbraw/zinc/17/93/93/788179393.db2.gz UYMMQLGBVHUMQM-MRXNPFEDSA-N 1 3 321.440 2.154 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1C ZINC001132889018 788219847 /nfs/dbraw/zinc/21/98/47/788219847.db2.gz URDRMZYLSBAVLS-JKSUJKDBSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[NH2+]C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1C ZINC001133121573 788288130 /nfs/dbraw/zinc/28/81/30/788288130.db2.gz JGKLCGXLUIVBRH-HOTGVXAUSA-N 1 3 311.514 2.447 20 0 DEADHO C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC1)N1CCCCCC1 ZINC001097972159 788302391 /nfs/dbraw/zinc/30/23/91/788302391.db2.gz PKHFJCLVVORRRT-HPBDAGMYSA-N 1 3 319.493 2.382 20 0 DEADHO C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC1)N1CCCCCC1 ZINC001097972159 788302399 /nfs/dbraw/zinc/30/23/99/788302399.db2.gz PKHFJCLVVORRRT-HPBDAGMYSA-N 1 3 319.493 2.382 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]C/C=C\Cl)C1 ZINC001133182137 788308564 /nfs/dbraw/zinc/30/85/64/788308564.db2.gz OLQLYOHIYVANNW-MSSSOJMCSA-N 1 3 315.889 2.155 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCC(C)C)C1 ZINC001133182111 788308772 /nfs/dbraw/zinc/30/87/72/788308772.db2.gz OEGKCYPMRGDCBC-IRXDYDNUSA-N 1 3 311.514 2.449 20 0 DEADHO C[C@H](NCCNC(=O)CC[NH+](C)C)c1ccc(F)c(Cl)c1 ZINC001133299906 788352944 /nfs/dbraw/zinc/35/29/44/788352944.db2.gz ADYNBWLCAZBITJ-NSHDSACASA-N 1 3 315.820 2.198 20 0 DEADHO CC(C)=CC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C ZINC001133347772 788378419 /nfs/dbraw/zinc/37/84/19/788378419.db2.gz ZPQGUZMNELNKLY-SJORKVTESA-N 1 3 309.498 2.367 20 0 DEADHO Cc1ccc(C[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C)c(C)c1 ZINC001133419031 788409307 /nfs/dbraw/zinc/40/93/07/788409307.db2.gz JTCACGMNLPAOGR-QGZVFWFLSA-N 1 3 305.466 2.095 20 0 DEADHO CC(C)[C@H](C(=O)NCC[NH2+]CCCCc1ccccc1)N(C)C ZINC001133419019 788409530 /nfs/dbraw/zinc/40/95/30/788409530.db2.gz JDIAHRNSKLZDSZ-GOSISDBHSA-N 1 3 319.493 2.301 20 0 DEADHO CC(C)[C@H](C(=O)NCC[NH2+][C@@H]1CCc2c1cccc2F)N(C)C ZINC001133433716 788429329 /nfs/dbraw/zinc/42/93/29/788429329.db2.gz AOWUXKZYLKIXQX-IAGOWNOFSA-N 1 3 321.440 2.105 20 0 DEADHO CC(C)[C@H](C(=O)NCC[NH2+][C@H](C)c1cccc(F)c1)N(C)C ZINC001133434233 788429567 /nfs/dbraw/zinc/42/95/67/788429567.db2.gz MXTHFPRLXGHLDL-CZUORRHYSA-N 1 3 309.429 2.179 20 0 DEADHO CCc1ccc(CC[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001133434529 788429776 /nfs/dbraw/zinc/42/97/76/788429776.db2.gz VULOYYZTEMSVDI-GOSISDBHSA-N 1 3 319.493 2.084 20 0 DEADHO CC[C@@H]([NH2+]CCNC(=O)CN1CCC[C@@H]1C)c1ccc(F)cc1 ZINC001133823896 788621408 /nfs/dbraw/zinc/62/14/08/788621408.db2.gz RWLPSBIBACMRBF-WMLDXEAASA-N 1 3 321.440 2.467 20 0 DEADHO CC1(C)CCN(CC(=O)NCC[NH2+]C/C=C/c2ccccc2)C1 ZINC001133873221 788652759 /nfs/dbraw/zinc/65/27/59/788652759.db2.gz QXTIAXDGHQFPLQ-RMKNXTFCSA-N 1 3 315.461 2.138 20 0 DEADHO CCc1ccccc1C[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133893969 788660804 /nfs/dbraw/zinc/66/08/04/788660804.db2.gz PYRAGWLFDZULNF-UHFFFAOYSA-N 1 3 317.477 2.187 20 0 DEADHO Cc1cccc(C[NH2+]CCNC(=O)CN(C)CC(C)(C)C)c1 ZINC001133896875 788663382 /nfs/dbraw/zinc/66/33/82/788663382.db2.gz SRWKAAWBFZOGMT-UHFFFAOYSA-N 1 3 305.466 2.179 20 0 DEADHO Cc1cccc(C)c1C[NH2+]CCNC(=O)CN(C)CC(C)(C)C ZINC001133899438 788669387 /nfs/dbraw/zinc/66/93/87/788669387.db2.gz GNFRRTMXEGSGJR-UHFFFAOYSA-N 1 3 319.493 2.487 20 0 DEADHO C[C@@H](C[C@H](C)[NH2+]CCC(F)(F)F)NC(=O)C1(N(C)C)CCC1 ZINC001134584969 788989296 /nfs/dbraw/zinc/98/92/96/788989296.db2.gz YHOCCUYKMYDARW-RYUDHWBXSA-N 1 3 323.403 2.296 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]C/C=C\Cl ZINC001134772812 789073592 /nfs/dbraw/zinc/07/35/92/789073592.db2.gz HVGPAONIPALGQW-WACGGTQYSA-N 1 3 303.878 2.342 20 0 DEADHO CCCCCCN(C)CC(=O)NCC[NH2+]Cc1cccnc1C ZINC001135437486 789343324 /nfs/dbraw/zinc/34/33/24/789343324.db2.gz VRJYODWBIORXPC-UHFFFAOYSA-N 1 3 320.481 2.108 20 0 DEADHO CC[NH+](CC)[C@@H](C(=O)NCCNCc1ccsc1)C(C)C ZINC001135474089 789357997 /nfs/dbraw/zinc/35/79/97/789357997.db2.gz GQCHOCFIMNRVCU-OAHLLOKOSA-N 1 3 311.495 2.320 20 0 DEADHO CC[C@H]([NH2+]CCNC(=O)CN(CC)CC)c1ccc(F)cc1 ZINC001135513438 789382076 /nfs/dbraw/zinc/38/20/76/789382076.db2.gz OLOJFLZISDGJST-INIZCTEOSA-N 1 3 309.429 2.324 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccsc1 ZINC001135705547 789460095 /nfs/dbraw/zinc/46/00/95/789460095.db2.gz FGBUPOBPHDGFQK-KBPBESRZSA-N 1 3 311.495 2.463 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1oc(C)nc1C ZINC001135980346 789581563 /nfs/dbraw/zinc/58/15/63/789581563.db2.gz OCSVQIUNBPFNPI-OLZOCXBDSA-N 1 3 324.469 2.006 20 0 DEADHO CN(C)C1(C(=O)NCCC[NH2+]Cc2ccccc2Cl)CCC1 ZINC001159853685 789704615 /nfs/dbraw/zinc/70/46/15/789704615.db2.gz HMKQZMBFTKABNQ-UHFFFAOYSA-N 1 3 323.868 2.420 20 0 DEADHO C[C@@H]1C[C@H](N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CN1Cc1ccccc1 ZINC000398054263 790242514 /nfs/dbraw/zinc/24/25/14/790242514.db2.gz UTMYWUIOLTYEAL-OCTMDKCWSA-N 1 3 311.473 2.235 20 0 DEADHO CCC(CC)C[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001072814347 790257369 /nfs/dbraw/zinc/25/73/69/790257369.db2.gz AOPKHMOXJKGRCW-KRWDZBQOSA-N 1 3 321.509 2.297 20 0 DEADHO CCC(CC)C[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001072814347 790257375 /nfs/dbraw/zinc/25/73/75/790257375.db2.gz AOPKHMOXJKGRCW-KRWDZBQOSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)[C@@H]1C)N(C)C ZINC001074710620 791270782 /nfs/dbraw/zinc/27/07/82/791270782.db2.gz AIFYBQKUOXOPOU-BHYGNILZSA-N 1 3 307.482 2.406 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001146593076 791317696 /nfs/dbraw/zinc/31/76/96/791317696.db2.gz NRMLJLYEZSDVCT-OLZOCXBDSA-N 1 3 319.440 2.245 20 0 DEADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001098461198 791634500 /nfs/dbraw/zinc/63/45/00/791634500.db2.gz SIOLVULXZNYQHV-NXHRZFHOSA-N 1 3 315.461 2.492 20 0 DEADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001098461198 791634502 /nfs/dbraw/zinc/63/45/02/791634502.db2.gz SIOLVULXZNYQHV-NXHRZFHOSA-N 1 3 315.461 2.492 20 0 DEADHO CC/C=C\CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001148226632 791716246 /nfs/dbraw/zinc/71/62/46/791716246.db2.gz LYJOPZZXPUVRGH-ZPUOCTKUSA-N 1 3 321.509 2.463 20 0 DEADHO CC/C=C\CC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001148226632 791716253 /nfs/dbraw/zinc/71/62/53/791716253.db2.gz LYJOPZZXPUVRGH-ZPUOCTKUSA-N 1 3 321.509 2.463 20 0 DEADHO CC(C)N1CCN(c2ccc(NC[C@H]3CCCC[NH2+]3)cn2)CC1 ZINC001171334762 791774945 /nfs/dbraw/zinc/77/49/45/791774945.db2.gz PNXZKPASVGGJEI-MRXNPFEDSA-N 1 3 317.481 2.166 20 0 DEADHO CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001086941719 791856582 /nfs/dbraw/zinc/85/65/82/791856582.db2.gz ALPVNEKCUJZOLY-JKSUJKDBSA-N 1 3 307.482 2.051 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC3CC3)C[C@@]2(C)C1 ZINC001092302086 791974403 /nfs/dbraw/zinc/97/44/03/791974403.db2.gz SEAIVBCEVKBEQS-AOIWGVFYSA-N 1 3 319.493 2.051 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC3CC3)C[C@@]2(C)C1 ZINC001092302086 791974408 /nfs/dbraw/zinc/97/44/08/791974408.db2.gz SEAIVBCEVKBEQS-AOIWGVFYSA-N 1 3 319.493 2.051 20 0 DEADHO CC(C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001098960019 792003819 /nfs/dbraw/zinc/00/38/19/792003819.db2.gz QMBKRADLMURQEA-LNLFQRSKSA-N 1 3 319.493 2.240 20 0 DEADHO CC(C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001098960019 792003831 /nfs/dbraw/zinc/00/38/31/792003831.db2.gz QMBKRADLMURQEA-LNLFQRSKSA-N 1 3 319.493 2.240 20 0 DEADHO C[C@@H]1CN(CCF)C[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001093222549 792294684 /nfs/dbraw/zinc/29/46/84/792294684.db2.gz NNPZAENSWMQPGK-RHSMWYFYSA-N 1 3 321.440 2.015 20 0 DEADHO CCC[N@H+]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC001093224389 792295110 /nfs/dbraw/zinc/29/51/10/792295110.db2.gz UPGQSPAYQMTANC-NVXWUHKLSA-N 1 3 317.477 2.456 20 0 DEADHO CCC[N@@H+]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC001093224389 792295116 /nfs/dbraw/zinc/29/51/16/792295116.db2.gz UPGQSPAYQMTANC-NVXWUHKLSA-N 1 3 317.477 2.456 20 0 DEADHO CC/C=C/CC[NH2+]C1CC(CNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001100407776 792633549 /nfs/dbraw/zinc/63/35/49/792633549.db2.gz JAUONPVYDXPJQW-JWTLKDSGSA-N 1 3 307.482 2.167 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1CC([NH2+]Cc2ccsc2)C1)N(C)C ZINC001100427817 792642892 /nfs/dbraw/zinc/64/28/92/792642892.db2.gz JFGQXCXTVOGUGI-GPANFISMSA-N 1 3 323.506 2.319 20 0 DEADHO CC[C@H](C(=O)NCC1CC([NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001100442429 792654977 /nfs/dbraw/zinc/65/49/77/792654977.db2.gz HCOAMWHFIMQTKN-BDVYOWHSSA-N 1 3 321.440 2.150 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCC1CC([NH2+]CC2CC(C)(C)C2)C1 ZINC001100676873 792783199 /nfs/dbraw/zinc/78/31/99/792783199.db2.gz UORABRIZDVSGDB-HPUBIQBYSA-N 1 3 321.509 2.391 20 0 DEADHO CC[C@@H](F)C[NH2+]C1CC(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001100681758 792786059 /nfs/dbraw/zinc/78/60/59/792786059.db2.gz RSMAHGTXUDSLSY-SHARSMKWSA-N 1 3 315.477 2.197 20 0 DEADHO CCN(CC)CC(=O)NCC1CC([NH2+]Cc2cccc(F)c2)C1 ZINC001100769491 792833046 /nfs/dbraw/zinc/83/30/46/792833046.db2.gz MHHSKZTWDIVKJU-UHFFFAOYSA-N 1 3 321.440 2.152 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1cc(C)cc(C)c1 ZINC001171758367 793198025 /nfs/dbraw/zinc/19/80/25/793198025.db2.gz ZQOQKBSVYWIBKK-UHFFFAOYSA-N 1 3 305.466 2.241 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+][C@H]1CCc2ccccc21 ZINC001171762782 793199743 /nfs/dbraw/zinc/19/97/43/793199743.db2.gz KXKARQCMNIMSCR-KRWDZBQOSA-N 1 3 303.450 2.112 20 0 DEADHO CC[NH2+]CC(C)(C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001101574873 793240981 /nfs/dbraw/zinc/24/09/81/793240981.db2.gz HUWVGWUHRXPRIU-OAHLLOKOSA-N 1 3 309.498 2.203 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC(N3CCCOC3=O)CC1)C2 ZINC001172131774 793321878 /nfs/dbraw/zinc/32/18/78/793321878.db2.gz YMRRVWBNYKOZMR-BJWYYQGGSA-N 1 3 321.465 2.308 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC(N3CCCOC3=O)CC1)C2 ZINC001172131774 793321884 /nfs/dbraw/zinc/32/18/84/793321884.db2.gz YMRRVWBNYKOZMR-BJWYYQGGSA-N 1 3 321.465 2.308 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[C@H](Oc3cnccn3)C1)C2 ZINC001172134068 793325442 /nfs/dbraw/zinc/32/54/42/793325442.db2.gz WTAWEEFKLKAUII-YVSFHVDLSA-N 1 3 316.449 2.335 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[C@H](Oc3cnccn3)C1)C2 ZINC001172134068 793325447 /nfs/dbraw/zinc/32/54/47/793325447.db2.gz WTAWEEFKLKAUII-YVSFHVDLSA-N 1 3 316.449 2.335 20 0 DEADHO COc1cccc([C@H](CO)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)c1 ZINC001172107405 793331805 /nfs/dbraw/zinc/33/18/05/793331805.db2.gz XBSICLFFAACZDH-DFGXFYAUSA-N 1 3 304.434 2.334 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCCC[C@H]1C(=O)N1CCCC1)C2 ZINC001172123365 793343086 /nfs/dbraw/zinc/34/30/86/793343086.db2.gz FZUYTJAUUJGDFK-MHORFTMASA-N 1 3 319.493 2.479 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCCC[C@H]1C(=O)N1CCCC1)C2 ZINC001172123365 793343097 /nfs/dbraw/zinc/34/30/97/793343097.db2.gz FZUYTJAUUJGDFK-MHORFTMASA-N 1 3 319.493 2.479 20 0 DEADHO O=C1CC[C@@H]2C[C@H]([NH+]3CCC(N4CCCCC4)CC3)CCN12 ZINC001172166783 793358764 /nfs/dbraw/zinc/35/87/64/793358764.db2.gz RHJBMOOBIMLUIO-IAGOWNOFSA-N 1 3 305.466 2.090 20 0 DEADHO COCCCOc1ccc(C[N@@H+]2CC[C@@H](N)[C@@H](F)CC2)cc1 ZINC001206185570 793560222 /nfs/dbraw/zinc/56/02/22/793560222.db2.gz OJBXGRLYRAZZKA-DLBZAZTESA-N 1 3 310.413 2.363 20 0 DEADHO COCCCOc1ccc(C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)cc1 ZINC001206185570 793560223 /nfs/dbraw/zinc/56/02/23/793560223.db2.gz OJBXGRLYRAZZKA-DLBZAZTESA-N 1 3 310.413 2.363 20 0 DEADHO CC[NH+](CC)C1CCC(N2CCN(c3cncnc3)CC2)CC1 ZINC001173113202 793580595 /nfs/dbraw/zinc/58/05/95/793580595.db2.gz LBGOFYVYGATMBO-UHFFFAOYSA-N 1 3 317.481 2.252 20 0 DEADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](CC2CC(C)C2)C[C@H]1C ZINC001102475476 793625372 /nfs/dbraw/zinc/62/53/72/793625372.db2.gz QEGKGNYUHHEJSR-MNAZLIDISA-N 1 3 309.498 2.058 20 0 DEADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](CC2CC(C)C2)C[C@H]1C ZINC001102475476 793625378 /nfs/dbraw/zinc/62/53/78/793625378.db2.gz QEGKGNYUHHEJSR-MNAZLIDISA-N 1 3 309.498 2.058 20 0 DEADHO [NH3+]CC1(NC2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC001173417177 793715009 /nfs/dbraw/zinc/71/50/09/793715009.db2.gz OBRXDKCYTAPLQL-UHFFFAOYSA-N 1 3 307.825 2.026 20 0 DEADHO [NH3+][C@H]1CC[C@H](N(C2COC2)C2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173476657 793734009 /nfs/dbraw/zinc/73/40/09/793734009.db2.gz ZFYRENOZYSUTIG-HDJSIYSDSA-N 1 3 322.399 2.403 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C)N(C)C ZINC001103112007 793944689 /nfs/dbraw/zinc/94/46/89/793944689.db2.gz ZSZXCZNAJAVPPN-NXHRZFHOSA-N 1 3 323.525 2.447 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C)N(C)C ZINC001103112007 793944694 /nfs/dbraw/zinc/94/46/94/793944694.db2.gz ZSZXCZNAJAVPPN-NXHRZFHOSA-N 1 3 323.525 2.447 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]CCC1=CCCCC1 ZINC001174690237 794041485 /nfs/dbraw/zinc/04/14/85/794041485.db2.gz CZHWVTVZCFWMIL-UHFFFAOYSA-N 1 3 304.438 2.247 20 0 DEADHO CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001103750659 794212342 /nfs/dbraw/zinc/21/23/42/794212342.db2.gz HGAXNQNBJNGXTB-CRAIPNDOSA-N 1 3 317.477 2.456 20 0 DEADHO CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001103750659 794212348 /nfs/dbraw/zinc/21/23/48/794212348.db2.gz HGAXNQNBJNGXTB-CRAIPNDOSA-N 1 3 317.477 2.456 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CCCCNCc1cnc(C)o1 ZINC001176024462 794334597 /nfs/dbraw/zinc/33/45/97/794334597.db2.gz OKYQWFQNVDXZQU-AWEZNQCLSA-N 1 3 324.469 2.089 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCCNCc1cnc(C)o1 ZINC001176024462 794334602 /nfs/dbraw/zinc/33/46/02/794334602.db2.gz OKYQWFQNVDXZQU-AWEZNQCLSA-N 1 3 324.469 2.089 20 0 DEADHO CC(C)=CC[NH2+]CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001176889820 794522084 /nfs/dbraw/zinc/52/20/84/794522084.db2.gz FKJRZLXFRIFNKJ-UHFFFAOYSA-N 1 3 303.450 2.424 20 0 DEADHO Cc1cccc(C)c1C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176980618 794546844 /nfs/dbraw/zinc/54/68/44/794546844.db2.gz LVMITUDNUJKIBP-UHFFFAOYSA-N 1 3 305.466 2.240 20 0 DEADHO CCCCCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CC3)C[C@H]21 ZINC001114981903 794645607 /nfs/dbraw/zinc/64/56/07/794645607.db2.gz DHFYRLIGAXZAQK-DZFIZOCASA-N 1 3 321.509 2.345 20 0 DEADHO CCCCCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CC3)C[C@H]21 ZINC001114981903 794645611 /nfs/dbraw/zinc/64/56/11/794645611.db2.gz DHFYRLIGAXZAQK-DZFIZOCASA-N 1 3 321.509 2.345 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCCCC3)C[C@H]21 ZINC001114998668 794648983 /nfs/dbraw/zinc/64/89/83/794648983.db2.gz UKIYFBWRYKNUKZ-DZFIZOCASA-N 1 3 321.509 2.345 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCCCC3)C[C@H]21 ZINC001114998668 794648986 /nfs/dbraw/zinc/64/89/86/794648986.db2.gz UKIYFBWRYKNUKZ-DZFIZOCASA-N 1 3 321.509 2.345 20 0 DEADHO Cc1ncoc1CNCCCCCCNC(=O)CCC[NH+](C)C ZINC001179402732 795105483 /nfs/dbraw/zinc/10/54/83/795105483.db2.gz AMXFVLIGJSGXJY-UHFFFAOYSA-N 1 3 324.469 2.091 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCCCCF)[C@@H]1C ZINC001179534293 795126324 /nfs/dbraw/zinc/12/63/24/795126324.db2.gz FRZHEMQSUYZLBO-JYJNAYRXSA-N 1 3 313.461 2.190 20 0 DEADHO CCN(CC)CC(=O)NCCCCCC[NH2+]Cc1conc1C ZINC001179851217 795188647 /nfs/dbraw/zinc/18/86/47/795188647.db2.gz YWNSASFYOMTKPV-UHFFFAOYSA-N 1 3 324.469 2.091 20 0 DEADHO CC[N@H+](C)CCC(=O)NCCCCCCNCc1cc(C)no1 ZINC001179988972 795214914 /nfs/dbraw/zinc/21/49/14/795214914.db2.gz RQLMYCJVQMXNDM-UHFFFAOYSA-N 1 3 324.469 2.091 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCCCCCCNCc1cc(C)no1 ZINC001179988972 795214920 /nfs/dbraw/zinc/21/49/20/795214920.db2.gz RQLMYCJVQMXNDM-UHFFFAOYSA-N 1 3 324.469 2.091 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CN1CCCC1 ZINC001180131966 795238752 /nfs/dbraw/zinc/23/87/52/795238752.db2.gz PCYCJEQHJRHVHG-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2)[C@@H]1C ZINC001180221635 795258956 /nfs/dbraw/zinc/25/89/56/795258956.db2.gz BSDOOBQIMHWPJH-YOEHRIQHSA-N 1 3 321.440 2.245 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CCCF ZINC001180373078 795292348 /nfs/dbraw/zinc/29/23/48/795292348.db2.gz RKJCLHXLAGJCAY-INIZCTEOSA-N 1 3 315.477 2.487 20 0 DEADHO CN(CC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CCCC1 ZINC001180630623 795347464 /nfs/dbraw/zinc/34/74/64/795347464.db2.gz MRXQVQVYHNFADQ-OAHLLOKOSA-N 1 3 307.482 2.384 20 0 DEADHO CN(CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CCCC1 ZINC001180630623 795347471 /nfs/dbraw/zinc/34/74/71/795347471.db2.gz MRXQVQVYHNFADQ-OAHLLOKOSA-N 1 3 307.482 2.384 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C(=O)[C@@H]4CCCCC[C@@H]43)C[C@H]2C1 ZINC001120255882 795430876 /nfs/dbraw/zinc/43/08/76/795430876.db2.gz OCCADYXCZJFAPW-ZKXLYKBJSA-N 1 3 319.493 2.397 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CC)C1 ZINC001120402968 795453704 /nfs/dbraw/zinc/45/37/04/795453704.db2.gz UAPGQZDPXACHND-HOTGVXAUSA-N 1 3 309.498 2.440 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CC)C1 ZINC001120402968 795453707 /nfs/dbraw/zinc/45/37/07/795453707.db2.gz UAPGQZDPXACHND-HOTGVXAUSA-N 1 3 309.498 2.440 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CCF)C1 ZINC001120441020 795461430 /nfs/dbraw/zinc/46/14/30/795461430.db2.gz WRWFWQOJLHXIMZ-HOTGVXAUSA-N 1 3 313.461 2.001 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CCF)C1 ZINC001120441020 795461435 /nfs/dbraw/zinc/46/14/35/795461435.db2.gz WRWFWQOJLHXIMZ-HOTGVXAUSA-N 1 3 313.461 2.001 20 0 DEADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CCN(CC2CCCCC2)CC1 ZINC001182008844 795593008 /nfs/dbraw/zinc/59/30/08/795593008.db2.gz NQWBPWRZFFSBQD-GOSISDBHSA-N 1 3 319.493 2.053 20 0 DEADHO CCCC[NH2+]C1CC2(CC(NC(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001121772477 795685189 /nfs/dbraw/zinc/68/51/89/795685189.db2.gz BDWVOVOHLQGJJT-JFPDKAJLSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)[NH2+]C[C@]1(C)CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001182623073 795713959 /nfs/dbraw/zinc/71/39/59/795713959.db2.gz AKWXWLHBHCJBBS-CRAIPNDOSA-N 1 3 309.498 2.201 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCC2)C1 ZINC001183228832 795828078 /nfs/dbraw/zinc/82/80/78/795828078.db2.gz VKEKLIAGXIYELF-CRAIPNDOSA-N 1 3 309.498 2.203 20 0 DEADHO CCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001185169744 796202390 /nfs/dbraw/zinc/20/23/90/796202390.db2.gz MQOMPUCADGANTG-CVEARBPZSA-N 1 3 311.514 2.449 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC000119479287 796386968 /nfs/dbraw/zinc/38/69/68/796386968.db2.gz ULYLZHZCPYILIW-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC000119479287 796386973 /nfs/dbraw/zinc/38/69/73/796386973.db2.gz ULYLZHZCPYILIW-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001186452935 796403160 /nfs/dbraw/zinc/40/31/60/796403160.db2.gz WENSYGWIWNYLEX-RHSMWYFYSA-N 1 3 321.440 2.419 20 0 DEADHO CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H](NC/C=C\Cl)C1)C(C)C ZINC001186420690 796404551 /nfs/dbraw/zinc/40/45/51/796404551.db2.gz QZNFWMQYOOEXOM-UEDYQVLESA-N 1 3 315.889 2.296 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001186488198 796408014 /nfs/dbraw/zinc/40/80/14/796408014.db2.gz NVZYYDVQQBBDRS-QGZVFWFLSA-N 1 3 307.482 2.409 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC001187321979 796517399 /nfs/dbraw/zinc/51/73/99/796517399.db2.gz KLEWOGRZKSKTLT-SJLPKXTDSA-N 1 3 315.461 2.206 20 0 DEADHO CC[C@H](C)C[NH2+]C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001203041657 796528384 /nfs/dbraw/zinc/52/83/84/796528384.db2.gz IVLIFVSYCVSNFF-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO O=C(c1ccc(CN2CCCCC2)o1)N1CC[NH+]2CCC1CC2 ZINC001189744960 796875290 /nfs/dbraw/zinc/87/52/90/796875290.db2.gz UPAUOUKSCXYMSF-UHFFFAOYSA-N 1 3 317.433 2.186 20 0 DEADHO CC(C)N(C)CC(=O)NCC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001152427418 797186807 /nfs/dbraw/zinc/18/68/07/797186807.db2.gz ZYLHPIMEMGBKJV-KRWDZBQOSA-N 1 3 321.440 2.249 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]CCCc1ccccc1 ZINC001152459033 797190811 /nfs/dbraw/zinc/19/08/11/797190811.db2.gz XCQSFHHARPBYBY-GOSISDBHSA-N 1 3 317.477 2.199 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cc(C)sc1C ZINC001152479336 797194274 /nfs/dbraw/zinc/19/42/74/797194274.db2.gz FNVGNJMVVDKVHZ-MRXNPFEDSA-N 1 3 323.506 2.445 20 0 DEADHO CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001192354248 797370859 /nfs/dbraw/zinc/37/08/59/797370859.db2.gz KRTYMIWPYOEVOR-JOGGYFKDSA-N 1 3 307.482 2.217 20 0 DEADHO CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001192354248 797370868 /nfs/dbraw/zinc/37/08/68/797370868.db2.gz KRTYMIWPYOEVOR-JOGGYFKDSA-N 1 3 307.482 2.217 20 0 DEADHO CCN(Cc1ccsc1)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001153824095 797404345 /nfs/dbraw/zinc/40/43/45/797404345.db2.gz KJSSXJRJJYCECJ-CZUORRHYSA-N 1 3 323.506 2.415 20 0 DEADHO CC[C@@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193027247 797492478 /nfs/dbraw/zinc/49/24/78/797492478.db2.gz OHRVAKOUCYUSOB-NVXWUHKLSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193027247 797492480 /nfs/dbraw/zinc/49/24/80/797492480.db2.gz OHRVAKOUCYUSOB-NVXWUHKLSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+](CCCF)[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001154580329 797566407 /nfs/dbraw/zinc/56/64/07/797566407.db2.gz UEQDTQFYYMFUTD-CQSZACIVSA-N 1 3 301.450 2.047 20 0 DEADHO CC[N@@H+](CCCF)[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001154580329 797566410 /nfs/dbraw/zinc/56/64/10/797566410.db2.gz UEQDTQFYYMFUTD-CQSZACIVSA-N 1 3 301.450 2.047 20 0 DEADHO CC[N@H+](CC1CCCC1)[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001155237726 797714815 /nfs/dbraw/zinc/71/48/15/797714815.db2.gz GXPRLWLLCVCHJK-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001155237726 797714820 /nfs/dbraw/zinc/71/48/20/797714820.db2.gz GXPRLWLLCVCHJK-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](N)c1nc2ccccc2n1-c1nccc(C2CC[NH2+]CC2)n1 ZINC001155254443 797718707 /nfs/dbraw/zinc/71/87/07/797718707.db2.gz LARZOEFEZVDFRK-GFCCVEGCSA-N 1 3 322.416 2.302 20 0 DEADHO C[C@H](N)c1nc2ccccc2n1-c1nccc(C2CC[NH2+]CC2)n1 ZINC001155254444 797719242 /nfs/dbraw/zinc/71/92/42/797719242.db2.gz LARZOEFEZVDFRK-LBPRGKRZSA-N 1 3 322.416 2.302 20 0 DEADHO CC[N@H+](CC1CC1)[C@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001155621849 797808418 /nfs/dbraw/zinc/80/84/18/797808418.db2.gz QIVNSPATAOHLQF-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO CC[N@@H+](CC1CC1)[C@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001155621849 797808427 /nfs/dbraw/zinc/80/84/27/797808427.db2.gz QIVNSPATAOHLQF-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO c1cnc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)c(CN2CCCC2)c1 ZINC001155635351 797812460 /nfs/dbraw/zinc/81/24/60/797812460.db2.gz JEZPLGVTJVAGRI-FUHWJXTLSA-N 1 3 316.449 2.000 20 0 DEADHO Cc1c(C)n(-c2ncc3c(n2)CCNC3)c2ccc(C[NH3+])cc12 ZINC001155903012 797877545 /nfs/dbraw/zinc/87/75/45/797877545.db2.gz AJTJRYUQTGVRIG-UHFFFAOYSA-N 1 3 307.401 2.142 20 0 DEADHO Cc1c(C)n(-c2ncnc3c2CCNC3)c2ccc(C[NH3+])cc12 ZINC001155903405 797877827 /nfs/dbraw/zinc/87/78/27/797877827.db2.gz WDSUXEKRUCAKLU-UHFFFAOYSA-N 1 3 307.401 2.142 20 0 DEADHO COc1ccc(C(C)(C)C)cc1C(=O)N(CCCC[NH3+])C(=N)N ZINC001195473134 797909991 /nfs/dbraw/zinc/90/99/91/797909991.db2.gz DZARSIYHANPFTN-UHFFFAOYSA-N 1 3 320.437 2.067 20 0 DEADHO CN(C)Cc1cc(F)cc(CN2CCC(F)(F)[C@@H](C[NH3+])C2)c1 ZINC001205780017 798079516 /nfs/dbraw/zinc/07/95/16/798079516.db2.gz NYNHKLVPSMHFKW-AWEZNQCLSA-N 1 3 315.383 2.303 20 0 DEADHO CCC[NH+]1C[C@@H]2CN(c3ncccc3CN3CCCC3)C[C@H]2C1 ZINC001157698188 798260625 /nfs/dbraw/zinc/26/06/25/798260625.db2.gz DODKJEXBEJZIFJ-QZTJIDSGSA-N 1 3 314.477 2.455 20 0 DEADHO C[NH+]1CCC(CN2CCN(c3cc(C4CC4)ccn3)CC2)CC1 ZINC001157837989 798290314 /nfs/dbraw/zinc/29/03/14/798290314.db2.gz MRPKKGAQYSRYOV-UHFFFAOYSA-N 1 3 314.477 2.423 20 0 DEADHO CC(C)COc1cccc(N2CCC([N@@H+]3CC[C@@H](N)C3)CC2)n1 ZINC001158259994 798369572 /nfs/dbraw/zinc/36/95/72/798369572.db2.gz BQJNALVPRJKFBW-OAHLLOKOSA-N 1 3 318.465 2.118 20 0 DEADHO CC(C)COc1cccc(N2CCC([N@H+]3CC[C@@H](N)C3)CC2)n1 ZINC001158259994 798369576 /nfs/dbraw/zinc/36/95/76/798369576.db2.gz BQJNALVPRJKFBW-OAHLLOKOSA-N 1 3 318.465 2.118 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CC[C@H](C)F)N(C)C ZINC001158486759 798414822 /nfs/dbraw/zinc/41/48/22/798414822.db2.gz JJZDLPUORKKABA-XHSDSOJGSA-N 1 3 315.477 2.388 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC[C@H](C)F)N(C)C ZINC001158486759 798414825 /nfs/dbraw/zinc/41/48/25/798414825.db2.gz JJZDLPUORKKABA-XHSDSOJGSA-N 1 3 315.477 2.388 20 0 DEADHO Cc1cc(Cl)nc(N(C2CC[NH2+]CC2)C2CCN(C)CC2)n1 ZINC001158575852 798433413 /nfs/dbraw/zinc/43/34/13/798433413.db2.gz WPOVUARDCQFDFN-UHFFFAOYSA-N 1 3 323.872 2.091 20 0 DEADHO CN(C)C1(C(=O)NCCC[NH2+][C@H]2CCc3ccccc32)CCC1 ZINC001159853639 798618838 /nfs/dbraw/zinc/61/88/38/798618838.db2.gz GMPTZJVYQUVPCB-KRWDZBQOSA-N 1 3 315.461 2.254 20 0 DEADHO CC[NH+](CC)CCCCNC(=S)NCCN1CCCCC1 ZINC001200437794 798627514 /nfs/dbraw/zinc/62/75/14/798627514.db2.gz IXHRCNPIHVLGFQ-UHFFFAOYSA-N 1 3 314.543 2.058 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159997049 798638011 /nfs/dbraw/zinc/63/80/11/798638011.db2.gz DCPGLVYSNOJUQV-UHFFFAOYSA-N 1 3 321.440 2.214 20 0 DEADHO Cc1cccc(C[NH2+]CCCNC(=O)CN(C)C2CCC2)c1 ZINC001159991555 798638261 /nfs/dbraw/zinc/63/82/61/798638261.db2.gz AZVWCFHDTXZWOS-UHFFFAOYSA-N 1 3 303.450 2.075 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C)c(C)c1 ZINC001160428269 798687674 /nfs/dbraw/zinc/68/76/74/798687674.db2.gz YFXBTVYLSYBRPI-SFHVURJKSA-N 1 3 319.493 2.486 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+]CCCc1ccsc1)N(C)C ZINC001160883006 798755001 /nfs/dbraw/zinc/75/50/01/798755001.db2.gz FFADPLCPHNFWKU-OAHLLOKOSA-N 1 3 311.495 2.117 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+]CCCCC(F)(F)F)N(C)C ZINC001160883693 798755288 /nfs/dbraw/zinc/75/52/88/798755288.db2.gz UKDDAEQRUUUSAR-GFCCVEGCSA-N 1 3 311.392 2.155 20 0 DEADHO CN(C(=O)[C@@H](N)CCCc1ccccc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161060512 798789617 /nfs/dbraw/zinc/78/96/17/798789617.db2.gz BZISGWRMCPYPJX-IXDOHACOSA-N 1 3 303.450 2.065 20 0 DEADHO CN(C(=O)[C@@H](N)CCCc1ccccc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161060513 798789748 /nfs/dbraw/zinc/78/97/48/798789748.db2.gz BZISGWRMCPYPJX-ULQDDVLXSA-N 1 3 303.450 2.065 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCCC1=CC[N@H+](CCC2CC2)CC1 ZINC001161205069 798809070 /nfs/dbraw/zinc/80/90/70/798809070.db2.gz BWESMZZGLFSHIE-MRXNPFEDSA-N 1 3 319.493 2.409 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCCC1=CC[N@@H+](CCC2CC2)CC1 ZINC001161205069 798809071 /nfs/dbraw/zinc/80/90/71/798809071.db2.gz BWESMZZGLFSHIE-MRXNPFEDSA-N 1 3 319.493 2.409 20 0 DEADHO CC[C@@H](C(=O)NCCC1=CC[N@H+](CC2CCC2)CC1)N(C)C ZINC001161239526 798814459 /nfs/dbraw/zinc/81/44/59/798814459.db2.gz IFCHGKZTHMJINR-KRWDZBQOSA-N 1 3 307.482 2.265 20 0 DEADHO CC[C@@H](C(=O)NCCC1=CC[N@@H+](CC2CCC2)CC1)N(C)C ZINC001161239526 798814465 /nfs/dbraw/zinc/81/44/65/798814465.db2.gz IFCHGKZTHMJINR-KRWDZBQOSA-N 1 3 307.482 2.265 20 0 DEADHO CC[C@@H](C(=O)NCCC1=CC[N@H+](CC=C(C)C)CC1)N(C)C ZINC001161240555 798815911 /nfs/dbraw/zinc/81/59/11/798815911.db2.gz XAEUBOCPBGGNMG-KRWDZBQOSA-N 1 3 307.482 2.431 20 0 DEADHO CC[C@@H](C(=O)NCCC1=CC[N@@H+](CC=C(C)C)CC1)N(C)C ZINC001161240555 798815915 /nfs/dbraw/zinc/81/59/15/798815915.db2.gz XAEUBOCPBGGNMG-KRWDZBQOSA-N 1 3 307.482 2.431 20 0 DEADHO [NH3+]C1CCN(c2cccc(N[C@H]3CCCc4nccnc43)n2)CC1 ZINC001161407889 798848334 /nfs/dbraw/zinc/84/83/34/798848334.db2.gz AGAVLZVLRJKCCX-HNNXBMFYSA-N 1 3 324.432 2.289 20 0 DEADHO C[NH+](C)CCCCNc1cncc([C@@H]2CN3CCC2CC3)n1 ZINC001161728730 798924285 /nfs/dbraw/zinc/92/42/85/798924285.db2.gz RXCVKTQTINLPBZ-OAHLLOKOSA-N 1 3 303.454 2.040 20 0 DEADHO C[NH+](C)CCCCNc1cccc2cc([C@@H]3CNCCO3)cn21 ZINC001161730678 798924834 /nfs/dbraw/zinc/92/48/34/798924834.db2.gz PKNIXUPEHJEJNS-KRWDZBQOSA-N 1 3 316.449 2.354 20 0 DEADHO CN1CCC[C@@](C)(Nc2nc(Cl)cc(C3CC[NH2+]CC3)n2)C1 ZINC001162342987 799066987 /nfs/dbraw/zinc/06/69/87/799066987.db2.gz YTQSCNOJKXETEH-MRXNPFEDSA-N 1 3 323.872 2.493 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@H+](CC4=CCCCC4)C[C@H]32)CCC1 ZINC001114404896 799089627 /nfs/dbraw/zinc/08/96/27/799089627.db2.gz JOTMNBKIDAJWTR-FVQHAEBGSA-N 1 3 317.477 2.018 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC4=CCCCC4)C[C@H]32)CCC1 ZINC001114404896 799089635 /nfs/dbraw/zinc/08/96/35/799089635.db2.gz JOTMNBKIDAJWTR-FVQHAEBGSA-N 1 3 317.477 2.018 20 0 DEADHO CC[C@H](F)C[NH2+]C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001202526358 799102960 /nfs/dbraw/zinc/10/29/60/799102960.db2.gz FLVVBJLPDLOFKB-AWEZNQCLSA-N 1 3 313.461 2.047 20 0 DEADHO CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](CC)N(C)C ZINC001162841121 799186411 /nfs/dbraw/zinc/18/64/11/799186411.db2.gz MNINNYGCIVAKLX-GOSISDBHSA-N 1 3 319.493 2.398 20 0 DEADHO CCC[NH2+]CCN(CCc1ccccc1)C(=O)CN(CC)CC ZINC001162960198 799208477 /nfs/dbraw/zinc/20/84/77/799208477.db2.gz ONYBVXMRTFVOIF-UHFFFAOYSA-N 1 3 319.493 2.399 20 0 DEADHO CCN(CC)CCNC(=[NH2+])Nc1ccc(-c2ccncc2)cn1 ZINC001163128476 799253270 /nfs/dbraw/zinc/25/32/70/799253270.db2.gz LIBYOEUVTCNPNY-UHFFFAOYSA-N 1 3 312.421 2.422 20 0 DEADHO c1ccc(-c2cnccc2NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001163176649 799270745 /nfs/dbraw/zinc/27/07/45/799270745.db2.gz VVWCADWISSLHRW-MDZRGWNJSA-N 1 3 309.413 2.207 20 0 DEADHO Cn1ccc2c1nccc2NCC1([NH+](C)C)CCN(C)CC1 ZINC001164216752 799542342 /nfs/dbraw/zinc/54/23/42/799542342.db2.gz JYNAQCCJHXUQFH-UHFFFAOYSA-N 1 3 301.438 2.011 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CC2CC3(CCC3)C2)C1 ZINC001166677081 799918407 /nfs/dbraw/zinc/91/84/07/799918407.db2.gz FGZHOLNRCJQFFJ-OAHLLOKOSA-N 1 3 307.482 2.004 20 0 DEADHO Cc1cccc([C@H](C)[NH2+]CCCNC(=O)CN2CC[C@H](C)C2)c1 ZINC001166678117 799918454 /nfs/dbraw/zinc/91/84/54/799918454.db2.gz SHNGCTDOOTUBAF-IRXDYDNUSA-N 1 3 317.477 2.494 20 0 DEADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCCC[NH2+]C/C=C\Cl)C1 ZINC001166687275 799921265 /nfs/dbraw/zinc/92/12/65/799921265.db2.gz LLXDUOYAVROYRR-QZDDGCDVSA-N 1 3 319.852 2.047 20 0 DEADHO Cc1cccc(C[NH2+]CCCNC(=O)CN2CCC(C)(C)C2)c1 ZINC001166758495 799942816 /nfs/dbraw/zinc/94/28/16/799942816.db2.gz JTXFEJOOFIOWLN-UHFFFAOYSA-N 1 3 317.477 2.323 20 0 DEADHO CC1(C)CC(C[NH2+]CCCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001166765125 799944801 /nfs/dbraw/zinc/94/48/01/799944801.db2.gz SMEFZAPYLRSXDZ-UHFFFAOYSA-N 1 3 309.498 2.250 20 0 DEADHO CC(C)=CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203658509 800100650 /nfs/dbraw/zinc/10/06/50/800100650.db2.gz BWIPEMFXRDOEBT-JKSUJKDBSA-N 1 3 316.449 2.244 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]([NH2+]C/C=C/Cl)C12CCC2 ZINC001203651326 800101202 /nfs/dbraw/zinc/10/12/02/800101202.db2.gz MWRYFVJTGUNTKQ-VTDTZARESA-N 1 3 313.873 2.098 20 0 DEADHO Cc1ccc(C[NH2+]C2CCN(C(=O)CN(C)C(C)C)CC2)cc1 ZINC001203925853 800146748 /nfs/dbraw/zinc/14/67/48/800146748.db2.gz WPYUSMWFAHFEJG-UHFFFAOYSA-N 1 3 317.477 2.416 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([NH2+]CCC2CCCC2)CC1 ZINC001203932551 800148165 /nfs/dbraw/zinc/14/81/65/800148165.db2.gz JROMSBPAZWASJE-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO Fc1ccc(N2CCN(CCC3CC[NH2+]CC3)CC2)cc1F ZINC001204877982 800269302 /nfs/dbraw/zinc/26/93/02/800269302.db2.gz RNPHGIOYWHKDTC-UHFFFAOYSA-N 1 3 309.404 2.477 20 0 DEADHO CNc1nc(SC)ncc1CN1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206002814 800456566 /nfs/dbraw/zinc/45/65/66/800456566.db2.gz BNSCGUUSPHYQFY-NWDGAFQWSA-N 1 3 309.483 2.047 20 0 DEADHO CCCCC[NH2+]CC1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001206273832 800499840 /nfs/dbraw/zinc/49/98/40/800499840.db2.gz AIQIFGWNXPGYTF-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CCOC(=O)c1ccnc(CN2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001206318282 800507719 /nfs/dbraw/zinc/50/77/19/800507719.db2.gz OZPNWEOAEWBOFM-KRWDZBQOSA-N 1 3 305.422 2.209 20 0 DEADHO [NH3+]C[C@H]1CCCCN(Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC001206616828 800565623 /nfs/dbraw/zinc/56/56/23/800565623.db2.gz QWEHQMIDQDHRSV-QGZVFWFLSA-N 1 3 315.461 2.483 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC(C[NH2+]CC2CCCC2)CC1 ZINC001206954581 800640321 /nfs/dbraw/zinc/64/03/21/800640321.db2.gz NUFVHRUMLRZTSU-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC(C[NH2+]Cc2ccccc2)CC1 ZINC001206953476 800640646 /nfs/dbraw/zinc/64/06/46/800640646.db2.gz MNAJEDDZRPQYIY-UHFFFAOYSA-N 1 3 317.477 2.355 20 0 DEADHO C[NH+]1CCC(CN2CCN(c3noc4ccccc43)CC2)CC1 ZINC001207391352 800742321 /nfs/dbraw/zinc/74/23/21/800742321.db2.gz HJHHRBMCGULVNV-UHFFFAOYSA-N 1 3 314.433 2.292 20 0 DEADHO CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001208335185 800957736 /nfs/dbraw/zinc/95/77/36/800957736.db2.gz ROUYYKAZVVEIII-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CN(C/C=C/c2ccccc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208491097 800995377 /nfs/dbraw/zinc/99/53/77/800995377.db2.gz YDLDWXQHKALHMK-HQWTUQCVSA-N 1 3 315.461 2.088 20 0 DEADHO CN(CCC[NH+]1CCC2(CN(C)C2)CC1)C(=O)OC(C)(C)C ZINC001209139793 801134872 /nfs/dbraw/zinc/13/48/72/801134872.db2.gz KRIKOSZHURLXEC-UHFFFAOYSA-N 1 3 311.470 2.271 20 0 DEADHO C[NH+](C)CCC(=O)NC1CCN(CCCCC(F)(F)F)CC1 ZINC001228998844 801207915 /nfs/dbraw/zinc/20/79/15/801207915.db2.gz JYDIADUHJITROP-UHFFFAOYSA-N 1 3 323.403 2.251 20 0 DEADHO CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001209631953 801238602 /nfs/dbraw/zinc/23/86/02/801238602.db2.gz IWGOSPMGAIXLGB-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CCC(CC)C[NH2+][C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001209642402 801243727 /nfs/dbraw/zinc/24/37/27/801243727.db2.gz MZUYJVAAKMCNBU-WBVHZDCISA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCF)C1 ZINC001209951739 801312166 /nfs/dbraw/zinc/31/21/66/801312166.db2.gz MOCOQJIMFUPWQE-CVEARBPZSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H](C)F ZINC001230284791 801382249 /nfs/dbraw/zinc/38/22/49/801382249.db2.gz VGNLOYPRYQQXHG-RBSFLKMASA-N 1 3 301.450 2.092 20 0 DEADHO O[C@H]1CNCC[N@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001210398552 801392829 /nfs/dbraw/zinc/39/28/29/801392829.db2.gz DIBVPVXVIAOAGT-SFHVURJKSA-N 1 3 300.377 2.259 20 0 DEADHO O[C@H]1CNCC[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001210398552 801392839 /nfs/dbraw/zinc/39/28/39/801392839.db2.gz DIBVPVXVIAOAGT-SFHVURJKSA-N 1 3 300.377 2.259 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C1 ZINC001211359072 801552904 /nfs/dbraw/zinc/55/29/04/801552904.db2.gz QXQQNIVVBYBZSY-BRWVUGGUSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C1 ZINC001211359072 801552908 /nfs/dbraw/zinc/55/29/08/801552908.db2.gz QXQQNIVVBYBZSY-BRWVUGGUSA-N 1 3 309.498 2.199 20 0 DEADHO COc1ccc(CN2CCC3(C[NH+](C)C3)CC2)cc1OC(C)=O ZINC001231710610 801720594 /nfs/dbraw/zinc/72/05/94/801720594.db2.gz OPEYSZSNUZYWHK-UHFFFAOYSA-N 1 3 318.417 2.148 20 0 DEADHO COc1ccc(C[NH+]2CCC3(CN(C)C3)CC2)cc1OC(C)=O ZINC001231710610 801720600 /nfs/dbraw/zinc/72/06/00/801720600.db2.gz OPEYSZSNUZYWHK-UHFFFAOYSA-N 1 3 318.417 2.148 20 0 DEADHO CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001214855941 801767329 /nfs/dbraw/zinc/76/73/29/801767329.db2.gz RZWCQRMDCVAZTP-LOBOAWDWSA-N 1 3 307.482 2.119 20 0 DEADHO CCN1C[C@@H]2C[NH+](Cc3ccc(NC(C)=O)cc3C)C[C@H]2C1 ZINC001232189743 801811779 /nfs/dbraw/zinc/81/17/79/801811779.db2.gz MEMSIYPUPCCTPI-IAGOWNOFSA-N 1 3 301.434 2.337 20 0 DEADHO CC/C=C\CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001215536926 801873231 /nfs/dbraw/zinc/87/32/31/801873231.db2.gz ZWVDYRGKHGATDH-VMIJOWMCSA-N 1 3 307.482 2.264 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001216500055 801980545 /nfs/dbraw/zinc/98/05/45/801980545.db2.gz XGTTUXKFEPBIGR-SJLPKXTDSA-N 1 3 317.477 2.273 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC=C(C)C)C1 ZINC001216844576 802031729 /nfs/dbraw/zinc/03/17/29/802031729.db2.gz GADVBPOQGPUBLM-ZACQAIPSSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccccc2)C1 ZINC001216852132 802034218 /nfs/dbraw/zinc/03/42/18/802034218.db2.gz QNDPLXIKCLVPGG-SJLPKXTDSA-N 1 3 317.477 2.006 20 0 DEADHO CN(C)c1ccncc1NC(=O)[C@H]1C[NH2+]C[C@@H](c2ccccc2)C1 ZINC001218562884 802205978 /nfs/dbraw/zinc/20/59/78/802205978.db2.gz FNUQTERRAWOGHJ-JKSUJKDBSA-N 1 3 324.428 2.479 20 0 DEADHO Cc1cc(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)c2cc[nH]c2n1 ZINC001218702537 802228505 /nfs/dbraw/zinc/22/85/05/802228505.db2.gz PLZVLRJMDIKCMW-AWEZNQCLSA-N 1 3 317.437 2.257 20 0 DEADHO Cc1cc(NC(=O)[C@H](N)CCC[NH3+])cc(C)c1Br ZINC001218813978 802244021 /nfs/dbraw/zinc/24/40/21/802244021.db2.gz HDBBUYHCYSJMKV-LLVKDONJSA-N 1 3 314.227 2.071 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc2[nH]nc(Cl)c2c1 ZINC001218825317 802247044 /nfs/dbraw/zinc/24/70/44/802247044.db2.gz WWCSGHSOAVGQRI-LBPRGKRZSA-N 1 3 323.828 2.214 20 0 DEADHO Cc1ccccc1-c1cccc(NC(=O)[C@H]2C[NH2+]CC23CNC3)c1 ZINC001218957850 802265440 /nfs/dbraw/zinc/26/54/40/802265440.db2.gz VMKPNKLWSFANPZ-GOSISDBHSA-N 1 3 321.424 2.410 20 0 DEADHO C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@@H](c3ccccc3)N2)C[NH2+]1 ZINC001219587193 802352450 /nfs/dbraw/zinc/35/24/50/802352450.db2.gz VDHUGJFXRVNSGZ-QSPRXWTASA-N 1 3 301.434 2.127 20 0 DEADHO CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001234344715 802358401 /nfs/dbraw/zinc/35/84/01/802358401.db2.gz BHTCZJDOYWSJER-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[C@H]([NH3+])C(=O)NCCN1CCC(Cc2ccccc2)CC1 ZINC001219669226 802365042 /nfs/dbraw/zinc/36/50/42/802365042.db2.gz QLFGLVWJXGEEJC-SFHVURJKSA-N 1 3 317.477 2.041 20 0 DEADHO C[C@]12CC3CC(NC(=O)[C@@H](N)CCCC[NH3+])(C1)C[C@@](C)(C3)C2 ZINC001219994568 802399446 /nfs/dbraw/zinc/39/94/46/802399446.db2.gz UWMUFQJMVXTNPJ-UWUYSDQOSA-N 1 3 307.482 2.308 20 0 DEADHO CC(C)(NC(=O)[C@H](N)CCC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC001220065223 802408682 /nfs/dbraw/zinc/40/86/82/802408682.db2.gz BQYLUBWLTOAPCD-GFCCVEGCSA-N 1 3 317.355 2.123 20 0 DEADHO C[NH2+]CCCCNC(=O)C[C@H](N)c1cccc(C(F)(F)F)c1 ZINC001220077708 802410557 /nfs/dbraw/zinc/41/05/57/802410557.db2.gz ULODJVFZJLYZBY-ZDUSSCGKSA-N 1 3 317.355 2.211 20 0 DEADHO CCCNC(=O)[C@]12CN(Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001220234878 802430579 /nfs/dbraw/zinc/43/05/79/802430579.db2.gz SOGXYWIGJMYDQA-IEBWSBKVSA-N 1 3 315.461 2.014 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1CCC[C@@H](c2ccccc2)N1 ZINC001220254686 802432634 /nfs/dbraw/zinc/43/26/34/802432634.db2.gz URWYODDJEYHVPP-SQNIBIBYSA-N 1 3 315.461 2.470 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1CCC[C@@H](c2ccccc2)N1 ZINC001220254686 802432639 /nfs/dbraw/zinc/43/26/39/802432639.db2.gz URWYODDJEYHVPP-SQNIBIBYSA-N 1 3 315.461 2.470 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)c2ccccc21 ZINC001220333958 802445573 /nfs/dbraw/zinc/44/55/73/802445573.db2.gz YQQYIATYAQRIAZ-XYPHTWIQSA-N 1 3 313.445 2.225 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)c2ccccc21 ZINC001220333958 802445580 /nfs/dbraw/zinc/44/55/80/802445580.db2.gz YQQYIATYAQRIAZ-XYPHTWIQSA-N 1 3 313.445 2.225 20 0 DEADHO CC(C)Cc1ccc([C@@H](C)NC(=O)[C@@H](N)C2CC[NH2+]CC2)cc1 ZINC001221295927 802551427 /nfs/dbraw/zinc/55/14/27/802551427.db2.gz UHTFBQPPWVGZGY-KDOFPFPSSA-N 1 3 317.477 2.389 20 0 DEADHO CC(C)=CCN1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222046420 802635124 /nfs/dbraw/zinc/63/51/24/802635124.db2.gz BXIKTIGPRWCHHA-QZTJIDSGSA-N 1 3 319.493 2.361 20 0 DEADHO Clc1cccc2[nH]cc(CN3CCNC4(CC[NH2+]CC4)C3)c21 ZINC001222094403 802641174 /nfs/dbraw/zinc/64/11/74/802641174.db2.gz FHFDLZUAWDTZQR-UHFFFAOYSA-N 1 3 318.852 2.349 20 0 DEADHO COc1ccc(CCCN2CC[NH2+]C[C@]3(CCCCN3)C2)cc1 ZINC001222669678 802724736 /nfs/dbraw/zinc/72/47/36/802724736.db2.gz XVNUXIKCAFHQRF-LJQANCHMSA-N 1 3 317.477 2.045 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CC3CC3)[C@H]2C1 ZINC001223024301 802759584 /nfs/dbraw/zinc/75/95/84/802759584.db2.gz XNWIUWYKGWSHJR-CVEARBPZSA-N 1 3 307.482 2.050 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](CC3CC3)[C@H]2C1 ZINC001223024301 802759588 /nfs/dbraw/zinc/75/95/88/802759588.db2.gz XNWIUWYKGWSHJR-CVEARBPZSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@H](F)C[NH+]1CCC(CNC(=O)CN(C)C2CCC2)CC1 ZINC001223495483 802795466 /nfs/dbraw/zinc/79/54/66/802795466.db2.gz QXUDOWKYHHACOQ-HNNXBMFYSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H](F)CC[NH+]1CCC(CNC(=O)CN2CCC[C@H]2C)CC1 ZINC001224535169 802879577 /nfs/dbraw/zinc/87/95/77/802879577.db2.gz DIGHHSLCLYHKIL-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)C[NH+]1CCC(CNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001224575651 802882890 /nfs/dbraw/zinc/88/28/90/802882890.db2.gz BHLZWAULHRSXLC-UHFFFAOYSA-N 1 3 311.514 2.449 20 0 DEADHO CCN(CC)CC(=O)NCC1CC[NH+](CCC(F)(F)F)CC1 ZINC001224911935 802917176 /nfs/dbraw/zinc/91/71/76/802917176.db2.gz XWXVLIMICDXNMU-UHFFFAOYSA-N 1 3 323.403 2.109 20 0 DEADHO CC(C)(C)CC[C@@H]([NH3+])CNCC(C)(C)[C@]1(O)CCCOC1 ZINC001575131397 1166865146 /nfs/dbraw/zinc/86/51/46/1166865146.db2.gz UJOSYJXCEMLOTO-PBHICJAKSA-N 1 3 300.487 2.297 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C1 ZINC001370058423 1149371254 /nfs/dbraw/zinc/37/12/54/1149371254.db2.gz DPLXBJBWTBGILZ-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C1 ZINC001370058423 1149371257 /nfs/dbraw/zinc/37/12/57/1149371257.db2.gz DPLXBJBWTBGILZ-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001419994594 1169043592 /nfs/dbraw/zinc/04/35/92/1169043592.db2.gz OAJVBZGHUWHWGU-WBVHZDCISA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccsc2)C1 ZINC001368347281 1148420268 /nfs/dbraw/zinc/42/02/68/1148420268.db2.gz UGZQOHMFWBIWNE-GOEBONIOSA-N 1 3 323.506 2.415 20 0 DEADHO CC(C)CCC[N@H+]1C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001368357489 1148423957 /nfs/dbraw/zinc/42/39/57/1148423957.db2.gz LDYFTEPNJGZLLM-CALCHBBNSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)CCC[N@@H+]1C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001368357489 1148423959 /nfs/dbraw/zinc/42/39/59/1148423959.db2.gz LDYFTEPNJGZLLM-CALCHBBNSA-N 1 3 321.509 2.297 20 0 DEADHO Cc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)CN(C)C(C)C)cc1 ZINC001425084776 1174171029 /nfs/dbraw/zinc/17/10/29/1174171029.db2.gz KWJOUUKFKVSMBA-INIZCTEOSA-N 1 3 305.466 2.272 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCC1 ZINC001368489651 1148464804 /nfs/dbraw/zinc/46/48/04/1148464804.db2.gz YKBKZGMQAVKIHD-UHFFFAOYSA-N 1 3 318.465 2.325 20 0 DEADHO Cc1cccc([C@H](C)N2CC([C@H](C)NC(=O)CC[NH+](C)C)C2)c1 ZINC001369086734 1148845921 /nfs/dbraw/zinc/84/59/21/1148845921.db2.gz KVHRDILFXRROKB-HOTGVXAUSA-N 1 3 317.477 2.444 20 0 DEADHO CCC[NH+]1CC([C@H](C)NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001369088213 1148846559 /nfs/dbraw/zinc/84/65/59/1148846559.db2.gz HPWUMDZTRVFTRN-GUYCJALGSA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC2CCC2)CC1(C)C)N(C)C ZINC001369116400 1148851784 /nfs/dbraw/zinc/85/17/84/1148851784.db2.gz GYTWMDKYEPQTAR-HZPDHXFCSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CCC2)CC1(C)C)N(C)C ZINC001369116400 1148851785 /nfs/dbraw/zinc/85/17/85/1148851785.db2.gz GYTWMDKYEPQTAR-HZPDHXFCSA-N 1 3 309.498 2.199 20 0 DEADHO CCCCNC(=O)CCN1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001460980695 1058560445 /nfs/dbraw/zinc/56/04/45/1058560445.db2.gz WTCPISKLFKOYNN-HDICACEKSA-N 1 3 307.482 2.101 20 0 DEADHO CCCCNC(=O)CCN1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001460980695 1058560462 /nfs/dbraw/zinc/56/04/62/1058560462.db2.gz WTCPISKLFKOYNN-HDICACEKSA-N 1 3 307.482 2.101 20 0 DEADHO Cc1ccc(-c2nn(C)cc2C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)o1 ZINC001461828839 1058722575 /nfs/dbraw/zinc/72/25/75/1058722575.db2.gz JMMXTIZDOZLKKR-VNQPRFMTSA-N 1 3 314.433 2.418 20 0 DEADHO CCCN(C)CC(=O)NC[C@]1(C)CCC[N@H+](CC[C@H](C)F)C1 ZINC001500547015 1058917102 /nfs/dbraw/zinc/91/71/02/1058917102.db2.gz MBHBQRKKXVALFA-RDJZCZTQSA-N 1 3 315.477 2.295 20 0 DEADHO CCCN(C)CC(=O)NC[C@]1(C)CCC[N@@H+](CC[C@H](C)F)C1 ZINC001500547015 1058917125 /nfs/dbraw/zinc/91/71/25/1058917125.db2.gz MBHBQRKKXVALFA-RDJZCZTQSA-N 1 3 315.477 2.295 20 0 DEADHO CCCC[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001501143691 1059328456 /nfs/dbraw/zinc/32/84/56/1059328456.db2.gz SNMREFNAOGDOLU-IRXDYDNUSA-N 1 3 309.498 2.203 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C ZINC001501172336 1059346512 /nfs/dbraw/zinc/34/65/12/1059346512.db2.gz VAJFDOQWRJTNSV-MUJYYYPQSA-N 1 3 318.465 2.276 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C ZINC001501172336 1059346534 /nfs/dbraw/zinc/34/65/34/1059346534.db2.gz VAJFDOQWRJTNSV-MUJYYYPQSA-N 1 3 318.465 2.276 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H](CC[NH2+]CCC(F)(F)F)C1 ZINC001501650271 1059608859 /nfs/dbraw/zinc/60/88/59/1059608859.db2.gz FRXRQESADPJQPQ-ZDUSSCGKSA-N 1 3 323.403 2.107 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001502125416 1059966490 /nfs/dbraw/zinc/96/64/90/1059966490.db2.gz BZQSQVQHGYAJFL-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C)C[N@H+]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001502125416 1059966514 /nfs/dbraw/zinc/96/65/14/1059966514.db2.gz BZQSQVQHGYAJFL-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO COCCN(C)CCC[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC001473929937 1060772029 /nfs/dbraw/zinc/77/20/29/1060772029.db2.gz NSLAIRHJQATAJR-UHFFFAOYSA-N 1 3 312.841 2.333 20 0 DEADHO COC1CC(CC[NH2+]C2CCC(C)(N3CCOCC3)CC2)C1 ZINC001474622959 1060907596 /nfs/dbraw/zinc/90/75/96/1060907596.db2.gz BUSSRWTVKLHLLC-UHFFFAOYSA-N 1 3 310.482 2.425 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC001505736776 1060915724 /nfs/dbraw/zinc/91/57/24/1060915724.db2.gz WHAWWWKNLFJDCD-KGLIPLIRSA-N 1 3 309.429 2.150 20 0 DEADHO C[C@H](F)CC[NH2+]CC(C)(C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001505816167 1060997704 /nfs/dbraw/zinc/99/77/04/1060997704.db2.gz GUHHCKFVBSPFHP-AWEZNQCLSA-N 1 3 315.477 2.293 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)CC1CCCC1 ZINC001505930930 1061146625 /nfs/dbraw/zinc/14/66/25/1061146625.db2.gz RBHCSUHOPDFZCE-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)CC1CCCC1 ZINC001505930930 1061146636 /nfs/dbraw/zinc/14/66/36/1061146636.db2.gz RBHCSUHOPDFZCE-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO CCCCN1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001479270917 1061352623 /nfs/dbraw/zinc/35/26/23/1061352623.db2.gz PZRFDVSZYSTGAM-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)N(C)C ZINC001479320481 1061391486 /nfs/dbraw/zinc/39/14/86/1061391486.db2.gz FFFRIISRMLMTNB-BBWFWOEESA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CC1CCC1 ZINC001479832249 1061858371 /nfs/dbraw/zinc/85/83/71/1061858371.db2.gz QWCYVDUOEUUWIV-DOTOQJQBSA-N 1 3 309.498 2.486 20 0 DEADHO CC1CC(C[N@H+](CCCNC(=O)C2(N(C)C)CCC2)C2CC2)C1 ZINC001479871665 1061958448 /nfs/dbraw/zinc/95/84/48/1061958448.db2.gz RAHNGTKOBSUFDZ-UHFFFAOYSA-N 1 3 321.509 2.488 20 0 DEADHO CC1CC(C[N@@H+](CCCNC(=O)C2(N(C)C)CCC2)C2CC2)C1 ZINC001479871665 1061958471 /nfs/dbraw/zinc/95/84/71/1061958471.db2.gz RAHNGTKOBSUFDZ-UHFFFAOYSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CC[NH2+][C@@H](CNC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001480038428 1062221881 /nfs/dbraw/zinc/22/18/81/1062221881.db2.gz IGNKLMSMBKBCQV-INIZCTEOSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H](NC(=O)CN1CC[C@@H](C)C1)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC001506657161 1062244934 /nfs/dbraw/zinc/24/49/34/1062244934.db2.gz WSQOISIJPAXEPT-HUUCEWRRSA-N 1 3 321.509 2.201 20 0 DEADHO CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C(C)(C)C1 ZINC001506754869 1062371919 /nfs/dbraw/zinc/37/19/19/1062371919.db2.gz YUJVIHDALOVZDH-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C(C)(C)C1 ZINC001506754869 1062371939 /nfs/dbraw/zinc/37/19/39/1062371939.db2.gz YUJVIHDALOVZDH-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001506884569 1062469903 /nfs/dbraw/zinc/46/99/03/1062469903.db2.gz UORWEKSBSQLRCK-BRWVUGGUSA-N 1 3 309.498 2.390 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCCC(C)(C)C)C2)C1 ZINC001480224795 1062485110 /nfs/dbraw/zinc/48/51/10/1062485110.db2.gz UPRIRZNOPYAXHO-HRCADAONSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H](CCC[NH2+]Cc1ccsc1)NC(=O)CN1CC[C@H](C)C1 ZINC001506938517 1062557155 /nfs/dbraw/zinc/55/71/55/1062557155.db2.gz TWGSTDDKRRCHRQ-LSDHHAIUSA-N 1 3 323.506 2.464 20 0 DEADHO CC(C)CC[NH2+]C[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001480295933 1062601120 /nfs/dbraw/zinc/60/11/20/1062601120.db2.gz MXGMFSSHKADKLP-DLBZAZTESA-N 1 3 309.498 2.203 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCCc1ccccc1 ZINC001480536670 1062998110 /nfs/dbraw/zinc/99/81/10/1062998110.db2.gz JDTGEWMHCAFGFQ-IRXDYDNUSA-N 1 3 317.477 2.055 20 0 DEADHO CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001480615812 1063106369 /nfs/dbraw/zinc/10/63/69/1063106369.db2.gz CQVUBAMLOXFDAF-KJPDOMRESA-N 1 3 307.482 2.408 20 0 DEADHO CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)CCc1cccs1 ZINC001493020917 1063485833 /nfs/dbraw/zinc/48/58/33/1063485833.db2.gz HSGYOWSQGWNHJG-OAHLLOKOSA-N 1 3 323.506 2.071 20 0 DEADHO CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)CCc1cccs1 ZINC001493020917 1063485839 /nfs/dbraw/zinc/48/58/39/1063485839.db2.gz HSGYOWSQGWNHJG-OAHLLOKOSA-N 1 3 323.506 2.071 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001494056014 1064106400 /nfs/dbraw/zinc/10/64/00/1064106400.db2.gz SPAIVSYRSXPRQR-IAGOWNOFSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001494056014 1064106403 /nfs/dbraw/zinc/10/64/03/1064106403.db2.gz SPAIVSYRSXPRQR-IAGOWNOFSA-N 1 3 309.498 2.203 20 0 DEADHO CN(CC[NH2+]Cc1ccc(C2CC2)cc1)C(=O)CN1CCCC1 ZINC001567606354 1064274321 /nfs/dbraw/zinc/27/43/21/1064274321.db2.gz IYYMSGZCFPPGLX-UHFFFAOYSA-N 1 3 315.461 2.208 20 0 DEADHO CCCCC[N@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001567737911 1064388911 /nfs/dbraw/zinc/38/89/11/1064388911.db2.gz KMEHTQRZYUVRLA-SJORKVTESA-N 1 3 309.498 2.299 20 0 DEADHO CCCCC[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001567737911 1064388924 /nfs/dbraw/zinc/38/89/24/1064388924.db2.gz KMEHTQRZYUVRLA-SJORKVTESA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CCCCCF)C1)N(C)C ZINC001567925319 1064527420 /nfs/dbraw/zinc/52/74/20/1064527420.db2.gz LRHCNSXRLMUTRS-CVEARBPZSA-N 1 3 315.477 2.245 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](CCCCCF)C1)N(C)C ZINC001567925319 1064527436 /nfs/dbraw/zinc/52/74/36/1064527436.db2.gz LRHCNSXRLMUTRS-CVEARBPZSA-N 1 3 315.477 2.245 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC(CC[NH2+]CCF)CC1 ZINC001568098395 1064644709 /nfs/dbraw/zinc/64/47/09/1064644709.db2.gz UKQNKGVAVTYPCN-MRXNPFEDSA-N 1 3 313.461 2.049 20 0 DEADHO Cc1ccc(CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCN2C)cc1 ZINC001568262574 1064737336 /nfs/dbraw/zinc/73/73/36/1064737336.db2.gz LCVNRSFZNSBYIH-FUHWJXTLSA-N 1 3 317.477 2.068 20 0 DEADHO CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001568514828 1064927604 /nfs/dbraw/zinc/92/76/04/1064927604.db2.gz CIOPLQHYPPWCQS-WBVHZDCISA-N 1 3 318.465 2.455 20 0 DEADHO CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001568514828 1064927612 /nfs/dbraw/zinc/92/76/12/1064927612.db2.gz CIOPLQHYPPWCQS-WBVHZDCISA-N 1 3 318.465 2.455 20 0 DEADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+]Cc1ccc(F)cc1 ZINC001495681383 1065051065 /nfs/dbraw/zinc/05/10/65/1065051065.db2.gz AHYKUKGJWNJCKA-AWEZNQCLSA-N 1 3 321.440 2.152 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+]Cc1ccsc1 ZINC001495718619 1065071990 /nfs/dbraw/zinc/07/19/90/1065071990.db2.gz IJATZHJJWRHRRB-AWEZNQCLSA-N 1 3 323.506 2.464 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C/CNC/C=C\Cl)C1 ZINC001568905499 1065183650 /nfs/dbraw/zinc/18/36/50/1065183650.db2.gz ZRZTUCAZLQWVIX-XPPZUBESSA-N 1 3 313.873 2.123 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)NC/C=C/CNC/C=C\Cl)C1 ZINC001568905499 1065183658 /nfs/dbraw/zinc/18/36/58/1065183658.db2.gz ZRZTUCAZLQWVIX-XPPZUBESSA-N 1 3 313.873 2.123 20 0 DEADHO C[C@H]1CCN(CC(=O)NC/C=C/C[NH2+]CCCC(C)(C)C)C1 ZINC001568920611 1065192062 /nfs/dbraw/zinc/19/20/62/1065192062.db2.gz YPFGHIXCZNCFFL-JFDDCEBESA-N 1 3 309.498 2.417 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC/C=C\C[NH2+]CCC2CCCC2)C1 ZINC001568920514 1065192101 /nfs/dbraw/zinc/19/21/01/1065192101.db2.gz WYNOSIIYFWNCFC-YIEVGGLXSA-N 1 3 307.482 2.171 20 0 DEADHO COCCOCc1ccc(CNC[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001621551664 1078177338 /nfs/dbraw/zinc/17/73/38/1078177338.db2.gz OMCNJLZEPYNRBO-IBGZPJMESA-N 1 3 318.461 2.281 20 0 DEADHO C[C@@H](C[NH2+]CCC1CC1)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001569081498 1065274587 /nfs/dbraw/zinc/27/45/87/1065274587.db2.gz OMHWBSBQEWJDAR-GUYCJALGSA-N 1 3 313.461 2.093 20 0 DEADHO CC[N@H+](C)CCC(=O)N(C)[C@@H](C)CNCc1cc(C)ccc1F ZINC001496196425 1065335816 /nfs/dbraw/zinc/33/58/16/1065335816.db2.gz QCVWLVBZKJLKRU-HNNXBMFYSA-N 1 3 323.456 2.412 20 0 DEADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CNCc1cc(C)ccc1F ZINC001496196425 1065335826 /nfs/dbraw/zinc/33/58/26/1065335826.db2.gz QCVWLVBZKJLKRU-HNNXBMFYSA-N 1 3 323.456 2.412 20 0 DEADHO C[C@@H](C[NH2+]CCCCC(F)(F)F)N(C)C(=O)CN1CCCC1 ZINC001496229154 1065350116 /nfs/dbraw/zinc/35/01/16/1065350116.db2.gz FWZXTXAILJECBB-ZDUSSCGKSA-N 1 3 323.403 2.251 20 0 DEADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+]CC1CC2(CCC2)C1 ZINC001496247352 1065362338 /nfs/dbraw/zinc/36/23/38/1065362338.db2.gz FZYKFNRAWFHBNI-HNNXBMFYSA-N 1 3 309.498 2.343 20 0 DEADHO CC/C=C/CCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001569359724 1065454390 /nfs/dbraw/zinc/45/43/90/1065454390.db2.gz LIHCWIGZHMSDIW-ADFJPCRASA-N 1 3 307.482 2.264 20 0 DEADHO CC/C=C/CCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001569359724 1065454397 /nfs/dbraw/zinc/45/43/97/1065454397.db2.gz LIHCWIGZHMSDIW-ADFJPCRASA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001569421069 1065500487 /nfs/dbraw/zinc/50/04/87/1065500487.db2.gz KKQHRFVKCUUMIN-MRXNPFEDSA-N 1 3 307.482 2.454 20 0 DEADHO Cc1cccc(CN(C)CCN(C)C(=O)C2CC[NH+](C)CC2)c1 ZINC001496776678 1065705151 /nfs/dbraw/zinc/70/51/51/1065705151.db2.gz GDPZWCVGRMAFTP-UHFFFAOYSA-N 1 3 317.477 2.227 20 0 DEADHO CCC1([NH2+]CC=C(C)C)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001570252328 1065991205 /nfs/dbraw/zinc/99/12/05/1065991205.db2.gz KYDMGHPQTLHGIE-INIZCTEOSA-N 1 3 307.482 2.408 20 0 DEADHO CCCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001484338127 1079548303 /nfs/dbraw/zinc/54/83/03/1079548303.db2.gz GFZKRBTZDQAHFB-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CCN(CCNC/C=C\Cl)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001497406498 1066076566 /nfs/dbraw/zinc/07/65/66/1066076566.db2.gz BUDQEVSWELDJKC-PWIQMMQFSA-N 1 3 313.873 2.194 20 0 DEADHO CCN(CCNC/C=C\Cl)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001497406498 1066076575 /nfs/dbraw/zinc/07/65/75/1066076575.db2.gz BUDQEVSWELDJKC-PWIQMMQFSA-N 1 3 313.873 2.194 20 0 DEADHO CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1csc(C)c1)N(C)C ZINC001497456067 1066103985 /nfs/dbraw/zinc/10/39/85/1066103985.db2.gz UDFQGHATKBESGG-HNNXBMFYSA-N 1 3 311.495 2.335 20 0 DEADHO CC(C)[C@@H](C(=O)NC/C=C/CNCc1ccc(F)cc1)[NH+](C)C ZINC001497601735 1066185592 /nfs/dbraw/zinc/18/55/92/1066185592.db2.gz MHWDYNGORVPACZ-RTRPANQVSA-N 1 3 321.440 2.174 20 0 DEADHO CC(C)N1CCCN(C(=O)[C@@H]2[NH2+]CC[C@H]3CCCC[C@H]32)CC1 ZINC001575701272 1066406425 /nfs/dbraw/zinc/40/64/25/1066406425.db2.gz XZJXQSAJTGOTIC-BRWVUGGUSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1C[C@H]1c1noc(CC2CCN(CC(C)(C)C[NH3+])CC2)n1 ZINC001576636426 1066650426 /nfs/dbraw/zinc/65/04/26/1066650426.db2.gz VPNJYMBDWXYBTP-GXTWGEPZSA-N 1 3 306.454 2.432 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC001576806797 1066692862 /nfs/dbraw/zinc/69/28/62/1066692862.db2.gz JLOWBLOWLHSDPR-VXNCWWDNSA-N 1 3 301.478 2.437 20 0 DEADHO C[C@@H]1COC2(CCCC2)CN1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001576854085 1066701755 /nfs/dbraw/zinc/70/17/55/1066701755.db2.gz KZYAHFPSACUVQU-HZPDHXFCSA-N 1 3 308.466 2.179 20 0 DEADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC001576947754 1066728836 /nfs/dbraw/zinc/72/88/36/1066728836.db2.gz DUEFFJPQQIMSSK-LBPRGKRZSA-N 1 3 305.422 2.274 20 0 DEADHO CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1cccc(F)c1)N(C)C ZINC001498614529 1066805746 /nfs/dbraw/zinc/80/57/46/1066805746.db2.gz ZGQNEWKGTNAQGL-INIZCTEOSA-N 1 3 309.429 2.104 20 0 DEADHO CCC[C@H]1CN(C[C@@H]([NH3+])CCOC)CCN1Cc1ccccc1 ZINC001577381215 1066828836 /nfs/dbraw/zinc/82/88/36/1066828836.db2.gz QUJRNOVTNBKMEJ-OALUTQOASA-N 1 3 319.493 2.337 20 0 DEADHO C[N@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)C1CC(OC(C)(C)C)C1 ZINC001578482341 1067116101 /nfs/dbraw/zinc/11/61/01/1067116101.db2.gz DGQBUJPFSZEXPK-FOIPXRHGSA-N 1 3 320.477 2.195 20 0 DEADHO C[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)C1CC(OC(C)(C)C)C1 ZINC001578482341 1067116106 /nfs/dbraw/zinc/11/61/06/1067116106.db2.gz DGQBUJPFSZEXPK-FOIPXRHGSA-N 1 3 320.477 2.195 20 0 DEADHO CN(C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)[C@@H]1CCCN(C)C1 ZINC001578528310 1067125268 /nfs/dbraw/zinc/12/52/68/1067125268.db2.gz CVEXLDFBHBZLAZ-IAGOWNOFSA-N 1 3 315.461 2.231 20 0 DEADHO Cn1c(C(=O)NC[C@H]2CCCCN2C)ccc1[C@H]1CCCC[NH2+]1 ZINC001578529463 1067127133 /nfs/dbraw/zinc/12/71/33/1067127133.db2.gz VKDPRXIWJOUHQI-HUUCEWRRSA-N 1 3 318.465 2.054 20 0 DEADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)cc1 ZINC001579194721 1067254261 /nfs/dbraw/zinc/25/42/61/1067254261.db2.gz PLKVPXNUCDFCFB-OWLYRPNTSA-N 1 3 318.461 2.219 20 0 DEADHO COc1ccc([C@@H](C[NH3+])CN[C@]23C[C@H]2COC32CCC2)cc1 ZINC001579195304 1067255212 /nfs/dbraw/zinc/25/52/12/1067255212.db2.gz VINBBSRMBDEVPA-RLFYNMQTSA-N 1 3 302.418 2.039 20 0 DEADHO CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001499574077 1067264264 /nfs/dbraw/zinc/26/42/64/1067264264.db2.gz MVMGHFAGDCEXPX-GOSISDBHSA-N 1 3 309.498 2.299 20 0 DEADHO CC[N@H+]1CCC[C@@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001499574077 1067264270 /nfs/dbraw/zinc/26/42/70/1067264270.db2.gz MVMGHFAGDCEXPX-GOSISDBHSA-N 1 3 309.498 2.299 20 0 DEADHO CSc1ccc([C@H](CNC(=O)C[C@H]2CC[NH2+]C2)N(C)C)cc1 ZINC001579387589 1067323673 /nfs/dbraw/zinc/32/36/73/1067323673.db2.gz IAOIADOJMYHVPE-CJNGLKHVSA-N 1 3 321.490 2.127 20 0 DEADHO Cc1ccc([C@H](NCC[C@@H]2CC[NH2+]C2)[C@@H](C)S(C)(=O)=O)cc1 ZINC001579671793 1067402374 /nfs/dbraw/zinc/40/23/74/1067402374.db2.gz OOVBKMAKJKMQRF-HLLBOEOZSA-N 1 3 324.490 2.058 20 0 DEADHO Cc1cccc(CN(CCN(C)C)C(=O)[C@H]2CC[C@@H]([NH3+])CC2)c1 ZINC001579760800 1067418561 /nfs/dbraw/zinc/41/85/61/1067418561.db2.gz GLZHLSXMJJCWPX-HDICACEKSA-N 1 3 317.477 2.403 20 0 DEADHO Cn1ccc(-c2nc(CNCC3(C)CC[NH2+]CC3)cs2)n1 ZINC001579971495 1067464308 /nfs/dbraw/zinc/46/43/08/1067464308.db2.gz SLLTVVPMYYFGGY-UHFFFAOYSA-N 1 3 305.451 2.023 20 0 DEADHO [NH3+]CC1(C(=O)NCCNC(c2ccccc2)c2ccccc2)CC1 ZINC001580233578 1067532375 /nfs/dbraw/zinc/53/23/75/1067532375.db2.gz AHFZZEPKISDJPU-UHFFFAOYSA-N 1 3 323.440 2.221 20 0 DEADHO CCCc1ccc(C[NH2+]CCN(C)C(=O)CN2CCCC2)cc1 ZINC001267081579 1078555097 /nfs/dbraw/zinc/55/50/97/1078555097.db2.gz ODRYFNKGHAHVTO-UHFFFAOYSA-N 1 3 317.477 2.283 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[NH2+]Cc1cc2ccccc2o1 ZINC001267117727 1078595511 /nfs/dbraw/zinc/59/55/11/1078595511.db2.gz VYIYVJVSKHNZEP-UHFFFAOYSA-N 1 3 317.433 2.321 20 0 DEADHO CC(C)=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001571367198 1068251119 /nfs/dbraw/zinc/25/11/19/1068251119.db2.gz DIBBHUHASMCBDR-NVXWUHKLSA-N 1 3 307.482 2.121 20 0 DEADHO CC(C)N(C(=O)[C@H]1CC[NH2+]C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001573519459 1069026903 /nfs/dbraw/zinc/02/69/03/1069026903.db2.gz MVGDHAWXYLDYLX-ROUUACIJSA-N 1 3 315.461 2.107 20 0 DEADHO CC(C)N(C(=O)CN1CCC([C@H]2C[C@@H]2[NH3+])CC1)C1CCCC1 ZINC001573519710 1069026994 /nfs/dbraw/zinc/02/69/94/1069026994.db2.gz SEKQJZXORDFXRY-SJORKVTESA-N 1 3 307.482 2.225 20 0 DEADHO CCCN(C)[C@@H](CNC(=O)[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC001573750886 1069094239 /nfs/dbraw/zinc/09/42/39/1069094239.db2.gz LECVQHIEXCEDLV-HOCLYGCPSA-N 1 3 323.868 2.449 20 0 DEADHO CCN(C[C@@]1(O)CCC[NH2+]C1)[C@H](C)Cc1ccc(OC)cc1 ZINC001573770879 1069100397 /nfs/dbraw/zinc/10/03/97/1069100397.db2.gz DGAOXQBQNBPTSV-CRAIPNDOSA-N 1 3 306.450 2.063 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001267473151 1078893031 /nfs/dbraw/zinc/89/30/31/1078893031.db2.gz BRGGFFPMACAOCX-UHFFFAOYSA-N 1 3 316.449 2.056 20 0 DEADHO [NH3+]CC[C@H]1CN(C(=O)[C@@H]2CNCc3ccccc32)c2ccccc21 ZINC001548578301 1072695176 /nfs/dbraw/zinc/69/51/76/1072695176.db2.gz KBKIQIIQBVZWJY-MAUKXSAKSA-N 1 3 321.424 2.353 20 0 DEADHO CC1(C)CN(C(=O)c2cccc(CN3CCCC3)c2)C[C@H]1[NH3+] ZINC001548584883 1072699125 /nfs/dbraw/zinc/69/91/25/1072699125.db2.gz NVEJQSGQDBBEBZ-MRXNPFEDSA-N 1 3 301.434 2.092 20 0 DEADHO CC[N@H+](CCNC(=O)[C@H]1CCCN1C)Cc1cccc(Cl)c1 ZINC001480966056 1079008823 /nfs/dbraw/zinc/00/88/23/1079008823.db2.gz ZSHRUMGQDSNYBK-MRXNPFEDSA-N 1 3 323.868 2.372 20 0 DEADHO CC[N@@H+](CCNC(=O)[C@H]1CCCN1C)Cc1cccc(Cl)c1 ZINC001480966056 1079008830 /nfs/dbraw/zinc/00/88/30/1079008830.db2.gz ZSHRUMGQDSNYBK-MRXNPFEDSA-N 1 3 323.868 2.372 20 0 DEADHO C[C@@H]1C[C@H](NC[C@@H]2C[C@@H](F)CN2Cc2cccs2)CC[NH2+]1 ZINC001549039196 1072991697 /nfs/dbraw/zinc/99/16/97/1072991697.db2.gz XELWDBVBWFXKDY-TUVASFSCSA-N 1 3 311.470 2.391 20 0 DEADHO [NH3+]C[C@]12CCC[C@@H]1CN([C@@H]1CCCN(c3ccccc3)C1=O)C2 ZINC001549118254 1073030771 /nfs/dbraw/zinc/03/07/71/1073030771.db2.gz XPROUBNRWKKRMQ-SUMDDJOVSA-N 1 3 313.445 2.243 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)NCC[C@@H](C)[NH2+]C)c1ccco1 ZINC001645846070 1079023915 /nfs/dbraw/zinc/02/39/15/1079023915.db2.gz KWBKGSLUNOBLDE-MJBXVCDLSA-N 1 3 310.442 2.006 20 0 DEADHO CC[NH+](CC)CC1CCN(C(=O)[C@H](N)C2CCCCC2)CC1 ZINC001645892892 1079041796 /nfs/dbraw/zinc/04/17/96/1079041796.db2.gz MGYPFBSAAJQSRO-QGZVFWFLSA-N 1 3 309.498 2.474 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@H]1NC1CC(S(=O)(=O)c2ccccc2)C1 ZINC001549922029 1073335561 /nfs/dbraw/zinc/33/55/61/1073335561.db2.gz WAYAXTMESUXAEW-VFNXUKNFSA-N 1 3 322.474 2.098 20 0 DEADHO NC[C@@H]1CCCC[C@H]1[NH2+]C1CC(S(=O)(=O)c2ccccc2)C1 ZINC001549922029 1073335568 /nfs/dbraw/zinc/33/55/68/1073335568.db2.gz WAYAXTMESUXAEW-VFNXUKNFSA-N 1 3 322.474 2.098 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCC2(NC/C=C/Cl)CC2)C1 ZINC001483761047 1079081384 /nfs/dbraw/zinc/08/13/84/1079081384.db2.gz IYCUBGDAXAHUGK-YOIVXCQUSA-N 1 3 313.873 2.099 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)NCC2(NC/C=C/Cl)CC2)C1 ZINC001483761047 1079081389 /nfs/dbraw/zinc/08/13/89/1079081389.db2.gz IYCUBGDAXAHUGK-YOIVXCQUSA-N 1 3 313.873 2.099 20 0 DEADHO CCn1ccnc1[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC001550129757 1073445228 /nfs/dbraw/zinc/44/52/28/1073445228.db2.gz WPXGSCDLQRSJTE-QBPKDAKJSA-N 1 3 318.465 2.007 20 0 DEADHO CCn1ccnc1[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC001550129757 1073445231 /nfs/dbraw/zinc/44/52/31/1073445231.db2.gz WPXGSCDLQRSJTE-QBPKDAKJSA-N 1 3 318.465 2.007 20 0 DEADHO Cc1cc(CN2CCC[C@H]2CNC(=O)CC[NH+](C)C)cs1 ZINC001481055473 1079133854 /nfs/dbraw/zinc/13/38/54/1079133854.db2.gz GXPPYSZJCOZKIW-HNNXBMFYSA-N 1 3 309.479 2.089 20 0 DEADHO C[C@H](F)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1c[nH]cn1 ZINC001483806407 1079133997 /nfs/dbraw/zinc/13/39/97/1079133997.db2.gz YJMOMRWJVZTCRJ-WYQXTGKHSA-N 1 3 322.428 2.202 20 0 DEADHO Cc1ncsc1CN[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@@H]1O ZINC001550421949 1073647030 /nfs/dbraw/zinc/64/70/30/1073647030.db2.gz JISMWDGMLGCZAA-VRKREXBASA-N 1 3 309.479 2.021 20 0 DEADHO Cc1ncsc1CN[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@@H]1O ZINC001550421949 1073647036 /nfs/dbraw/zinc/64/70/36/1073647036.db2.gz JISMWDGMLGCZAA-VRKREXBASA-N 1 3 309.479 2.021 20 0 DEADHO CCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001483849021 1079150015 /nfs/dbraw/zinc/15/00/15/1079150015.db2.gz PWFQAZMHKZKYJL-SFHVURJKSA-N 1 3 318.465 2.457 20 0 DEADHO CCCCCC[N@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001483849021 1079150019 /nfs/dbraw/zinc/15/00/19/1079150019.db2.gz PWFQAZMHKZKYJL-SFHVURJKSA-N 1 3 318.465 2.457 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2CC[N@H+](CC3CCCCC3)C2)CCC1 ZINC001481095207 1079177768 /nfs/dbraw/zinc/17/77/68/1079177768.db2.gz GUACQLURBNRQKH-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2CC[N@@H+](CC3CCCCC3)C2)CCC1 ZINC001481095207 1079177769 /nfs/dbraw/zinc/17/77/69/1079177769.db2.gz GUACQLURBNRQKH-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC001551399394 1074204412 /nfs/dbraw/zinc/20/44/12/1074204412.db2.gz LVFPETNSANSBGM-CIXNQNERSA-N 1 3 320.477 2.033 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)CC1 ZINC001551399401 1074205003 /nfs/dbraw/zinc/20/50/03/1074205003.db2.gz LVFPETNSANSBGM-LEDFQWPDSA-N 1 3 320.477 2.033 20 0 DEADHO CN(C(=O)[C@H]1CCCC[NH2+]C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001552394904 1074566333 /nfs/dbraw/zinc/56/63/33/1074566333.db2.gz BIVHCZGXPVQHFP-ZWKOTPCHSA-N 1 3 315.461 2.109 20 0 DEADHO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@]12C[C@H]1CCCN2 ZINC001646750842 1074597929 /nfs/dbraw/zinc/59/79/29/1074597929.db2.gz GFOQHNZSFPAQKM-APWZRJJASA-N 1 3 313.445 2.406 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCCc2cc(CC[NH3+])ccc21 ZINC001646824589 1074636238 /nfs/dbraw/zinc/63/62/38/1074636238.db2.gz BDBNGCFMNFFPTE-HUUCEWRRSA-N 1 3 315.461 2.340 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)[C@H](N)C3CCCCCC3)C[C@@H]2C1 ZINC001646835946 1074641767 /nfs/dbraw/zinc/64/17/67/1074641767.db2.gz VRKHZNKDLIWJGC-XMTFNYHQSA-N 1 3 321.509 2.473 20 0 DEADHO CC(C)(C(=O)N1CC[C@](C)(C[NH2+]CCF)C1)N1CCCCC1 ZINC001484095393 1079301023 /nfs/dbraw/zinc/30/10/23/1079301023.db2.gz VVRIXCOBNCUOMC-QGZVFWFLSA-N 1 3 313.461 2.049 20 0 DEADHO CCn1ccnc1[C@H]1OCC[C@H]1C[NH+]1CCC(N(C)C)CC1 ZINC001552824851 1074668585 /nfs/dbraw/zinc/66/85/85/1074668585.db2.gz PTRXGSIDSINMGL-HOCLYGCPSA-N 1 3 306.454 2.007 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)[C@]12CCC[C@@H]1[NH2+]CC2 ZINC001552833375 1074671775 /nfs/dbraw/zinc/67/17/75/1074671775.db2.gz XLNGQPRKHAWRAJ-WMZOPIPTSA-N 1 3 317.433 2.228 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+][C@H](C)CN(C)C(=O)Cc2c[nH]cn2)c1 ZINC001369278658 1148889837 /nfs/dbraw/zinc/88/98/37/1148889837.db2.gz KFYXZRKRIJHZOM-HUUCEWRRSA-N 1 3 314.433 2.458 20 0 DEADHO CCCN1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC001647106588 1074796873 /nfs/dbraw/zinc/79/68/73/1074796873.db2.gz REWBWHHPCBEVQX-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CCCN1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001647106588 1074796875 /nfs/dbraw/zinc/79/68/75/1074796875.db2.gz REWBWHHPCBEVQX-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CCN(C)C[C@H](O)C[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC001647258895 1074859650 /nfs/dbraw/zinc/85/96/50/1074859650.db2.gz QYHMUYJLNGBUBN-HNNXBMFYSA-N 1 3 317.433 2.320 20 0 DEADHO CC[C@@H](C)N[C@@H](CNC(=O)N1CCCC[C@@H]1C[NH3+])c1ccco1 ZINC001647393946 1074910810 /nfs/dbraw/zinc/91/08/10/1074910810.db2.gz JNQPJQFDKZMSRH-KFWWJZLASA-N 1 3 322.453 2.232 20 0 DEADHO CCCCCCN(C)CC(=O)NCC12CCC[NH+](CCC1)C2 ZINC001648165886 1074988430 /nfs/dbraw/zinc/98/84/30/1074988430.db2.gz PSRWUPXWIWFALO-UHFFFAOYSA-N 1 3 309.498 2.491 20 0 DEADHO CC[N@H+](CCCNC(=O)N[C@@H]1CCN(C)[C@@H]1C)C1CCCCC1 ZINC001565028851 1075176403 /nfs/dbraw/zinc/17/64/03/1075176403.db2.gz VWNMMODLCVECJR-NVXWUHKLSA-N 1 3 324.513 2.423 20 0 DEADHO CC[N@@H+](CCCNC(=O)N[C@@H]1CCN(C)[C@@H]1C)C1CCCCC1 ZINC001565028851 1075176407 /nfs/dbraw/zinc/17/64/07/1075176407.db2.gz VWNMMODLCVECJR-NVXWUHKLSA-N 1 3 324.513 2.423 20 0 DEADHO CN(CC(=O)N1CC[C@H]([NH2+]CCCC2CCC2)C1)C1CCC1 ZINC001567097301 1075431162 /nfs/dbraw/zinc/43/11/62/1075431162.db2.gz YKRGCMQQIBHIJU-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[C@H]1CCC[N@H+]1CC[C@@H](C)F ZINC001567265582 1075481586 /nfs/dbraw/zinc/48/15/86/1075481586.db2.gz ANEQVPSRHCESQR-HIFRSBDPSA-N 1 3 324.444 2.370 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[C@H]1CCC[N@@H+]1CC[C@@H](C)F ZINC001567265582 1075481592 /nfs/dbraw/zinc/48/15/92/1075481592.db2.gz ANEQVPSRHCESQR-HIFRSBDPSA-N 1 3 324.444 2.370 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)CC2=CCCCC2)CC[N@@H+]1C ZINC001567281547 1075486487 /nfs/dbraw/zinc/48/64/87/1075486487.db2.gz BEOTWZWLYFOOQX-DLBZAZTESA-N 1 3 307.482 2.265 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)CC2=CCCCC2)CC[N@H+]1C ZINC001567281547 1075486490 /nfs/dbraw/zinc/48/64/90/1075486490.db2.gz BEOTWZWLYFOOQX-DLBZAZTESA-N 1 3 307.482 2.265 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[C@H]([NH3+])C2)N(C)C)cc1 ZINC001650160008 1079428022 /nfs/dbraw/zinc/42/80/22/1079428022.db2.gz TZRPVKYNGPWZMW-HYVNUMGLSA-N 1 3 318.465 2.024 20 0 DEADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)[C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001580590384 1075956229 /nfs/dbraw/zinc/95/62/29/1075956229.db2.gz JRRJQJBDJAIZDQ-VSZNYVQBSA-N 1 3 313.445 2.080 20 0 DEADHO O[C@@]1(CN2CCC[C@@](F)(c3ccccc3)C2)CCC[NH2+]CC1 ZINC001580879945 1076012036 /nfs/dbraw/zinc/01/20/36/1076012036.db2.gz HVKNXQIEDJIKEF-ROUUACIJSA-N 1 3 306.425 2.452 20 0 DEADHO C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589804228 1076517828 /nfs/dbraw/zinc/51/78/28/1076517828.db2.gz FEUQTGQWEMOVPN-WDEREUQCSA-N 1 3 306.389 2.174 20 0 DEADHO C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001589804228 1076517831 /nfs/dbraw/zinc/51/78/31/1076517831.db2.gz FEUQTGQWEMOVPN-WDEREUQCSA-N 1 3 306.389 2.174 20 0 DEADHO C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(-c2nnn[n-]2)cc1 ZINC001589965930 1076538268 /nfs/dbraw/zinc/53/82/68/1076538268.db2.gz SRULWIZMVYHKQX-RKLWJJNISA-N 1 3 312.421 2.048 20 0 DEADHO C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(-c2nn[n-]n2)cc1 ZINC001589965930 1076538272 /nfs/dbraw/zinc/53/82/72/1076538272.db2.gz SRULWIZMVYHKQX-RKLWJJNISA-N 1 3 312.421 2.048 20 0 DEADHO C[C@@H]1CCC[N@H+](Cc2ccccc2-c2nnn[n-]2)[C@@H]1CCC[NH3+] ZINC001591733405 1076780275 /nfs/dbraw/zinc/78/02/75/1076780275.db2.gz DHSZBGAULGIXPM-CZUORRHYSA-N 1 3 314.437 2.206 20 0 DEADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2-c2nnn[n-]2)[C@@H]1CCC[NH3+] ZINC001591733405 1076780276 /nfs/dbraw/zinc/78/02/76/1076780276.db2.gz DHSZBGAULGIXPM-CZUORRHYSA-N 1 3 314.437 2.206 20 0 DEADHO C[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[n-]n2)[C@@H]1CCC[NH3+] ZINC001591733405 1076780280 /nfs/dbraw/zinc/78/02/80/1076780280.db2.gz DHSZBGAULGIXPM-CZUORRHYSA-N 1 3 314.437 2.206 20 0 DEADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2-c2nn[n-]n2)[C@@H]1CCC[NH3+] ZINC001591733405 1076780283 /nfs/dbraw/zinc/78/02/83/1076780283.db2.gz DHSZBGAULGIXPM-CZUORRHYSA-N 1 3 314.437 2.206 20 0 DEADHO C[C@@H]([NH2+]CCCCCC[NH3+])c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001609123824 1077766902 /nfs/dbraw/zinc/76/69/02/1077766902.db2.gz PJOLGHDGDLPIKF-LLVKDONJSA-N 1 3 306.389 2.176 20 0 DEADHO C[C@@H]([NH2+]CCCCCC[NH3+])c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609123824 1077766907 /nfs/dbraw/zinc/76/69/07/1077766907.db2.gz PJOLGHDGDLPIKF-LLVKDONJSA-N 1 3 306.389 2.176 20 0 DEADHO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)[C@@H]1NCC12CCCC2 ZINC001650321075 1079524491 /nfs/dbraw/zinc/52/44/91/1079524491.db2.gz FIXOQPWWIINAMO-ZDUSSCGKSA-N 1 3 320.462 2.081 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc3c(s2)CNCC3)C1 ZINC001650339490 1079541459 /nfs/dbraw/zinc/54/14/59/1079541459.db2.gz IXDQFZFXBDTADO-ZDUSSCGKSA-N 1 3 321.490 2.102 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc3c(s2)CNCC3)C1 ZINC001650339490 1079541467 /nfs/dbraw/zinc/54/14/67/1079541467.db2.gz IXDQFZFXBDTADO-ZDUSSCGKSA-N 1 3 321.490 2.102 20 0 DEADHO C[C@@H]([NH2+]CCCF)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001484346782 1079554638 /nfs/dbraw/zinc/55/46/38/1079554638.db2.gz CQANTJDKQLDVBG-HUUCEWRRSA-N 1 3 315.477 2.151 20 0 DEADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)C[NH2+]C/C=C/Cl ZINC001268015013 1079697151 /nfs/dbraw/zinc/69/71/51/1079697151.db2.gz FAOILCBXCRFGDD-GPAKFWEMSA-N 1 3 323.868 2.456 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C(C)(C)C1 ZINC001484936509 1079868590 /nfs/dbraw/zinc/86/85/90/1079868590.db2.gz JXTHGUFXMHIVFL-HNNXBMFYSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C(C)(C)C1 ZINC001484936509 1079868593 /nfs/dbraw/zinc/86/85/93/1079868593.db2.gz JXTHGUFXMHIVFL-HNNXBMFYSA-N 1 3 309.498 2.343 20 0 DEADHO CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001481451280 1079875334 /nfs/dbraw/zinc/87/53/34/1079875334.db2.gz PWKXTJPZSIPZER-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001481451280 1079875340 /nfs/dbraw/zinc/87/53/40/1079875340.db2.gz PWKXTJPZSIPZER-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1ccc(F)cc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)C(C)C ZINC001485229709 1080078283 /nfs/dbraw/zinc/07/82/83/1080078283.db2.gz KWIDNOVUFVYRIM-LSDHHAIUSA-N 1 3 323.456 2.457 20 0 DEADHO CC(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001268161238 1080138048 /nfs/dbraw/zinc/13/80/48/1080138048.db2.gz YHMFMMCGOWPCBZ-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC000982011639 1080182286 /nfs/dbraw/zinc/18/22/86/1080182286.db2.gz HCZKTYGLVXNJOJ-DLBZAZTESA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C)C[N@H+]1CCCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC000982011639 1080182292 /nfs/dbraw/zinc/18/22/92/1080182292.db2.gz HCZKTYGLVXNJOJ-DLBZAZTESA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)C1C[NH+](CCCCCF)C1 ZINC001485510135 1080271265 /nfs/dbraw/zinc/27/12/65/1080271265.db2.gz QSSGPFSBXOLMKO-AWEZNQCLSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001485707127 1080373075 /nfs/dbraw/zinc/37/30/75/1080373075.db2.gz SWGATNHHNKLSHH-VGWMRTNUSA-N 1 3 313.461 2.093 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccccc1F)N(C)C ZINC001268374347 1080390059 /nfs/dbraw/zinc/39/00/59/1080390059.db2.gz JXGNIDOKINCBAW-XJKSGUPXSA-N 1 3 309.429 2.150 20 0 DEADHO CN(C(=O)CC[NH+](C)C)[C@@H]1CCN(CCCCC(F)(F)F)C1 ZINC001481739740 1080416802 /nfs/dbraw/zinc/41/68/02/1080416802.db2.gz DUKVQUUSNWTHFK-CYBMUJFWSA-N 1 3 323.403 2.203 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCCc2ccsc2)C1 ZINC001661378443 1080475578 /nfs/dbraw/zinc/47/55/78/1080475578.db2.gz PWQGCYUUWLAUDR-INIZCTEOSA-N 1 3 323.506 2.211 20 0 DEADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C[NH2+]CCF ZINC001107034180 1080546952 /nfs/dbraw/zinc/54/69/52/1080546952.db2.gz MLOYXFCGYHVXLM-GDBMZVCRSA-N 1 3 321.440 2.015 20 0 DEADHO CC(C)N(C)CC(=O)N[C@](C)(C[NH2+]CCC(F)(F)F)C1CC1 ZINC001481951785 1080641360 /nfs/dbraw/zinc/64/13/60/1080641360.db2.gz NHOOTRGNZZWFMC-CQSZACIVSA-N 1 3 323.403 2.154 20 0 DEADHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC1CCC2(CC2)CC1 ZINC001268576775 1080796843 /nfs/dbraw/zinc/79/68/43/1080796843.db2.gz XITLPBDZKCOPIN-RCAFFNEUSA-N 1 3 319.493 2.313 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001482141971 1080857752 /nfs/dbraw/zinc/85/77/52/1080857752.db2.gz HEFIQBZFBXPLMX-HZPDHXFCSA-N 1 3 317.477 2.179 20 0 DEADHO CC[C@H](C(=O)N(C)CC[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001664314303 1080893967 /nfs/dbraw/zinc/89/39/67/1080893967.db2.gz YTUQHUXSCGUFFM-MRXNPFEDSA-N 1 3 309.429 2.022 20 0 DEADHO CC[C@H](C(=O)NC/C=C/C[NH2+]Cc1cc(C)sc1C)N(C)C ZINC001268617626 1080895281 /nfs/dbraw/zinc/89/52/81/1080895281.db2.gz ONRAEPWUDNKKTO-KXPUMZMLSA-N 1 3 323.506 2.467 20 0 DEADHO C[C@H](C[NH2+]CC1=CCCCC1)NC(=O)C(C)(C)N1CCCC1 ZINC001268657533 1080920907 /nfs/dbraw/zinc/92/09/07/1080920907.db2.gz ZRIIGODEXBOWLB-OAHLLOKOSA-N 1 3 307.482 2.456 20 0 DEADHO CC(C)N(C/C=C\Cl)CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001664552657 1080925032 /nfs/dbraw/zinc/92/50/32/1080925032.db2.gz BZNLUSWDIMMPLF-IJVDHGTGSA-N 1 3 315.889 2.297 20 0 DEADHO CC(C)N(C/C=C\Cl)CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001664552657 1080925036 /nfs/dbraw/zinc/92/50/36/1080925036.db2.gz BZNLUSWDIMMPLF-IJVDHGTGSA-N 1 3 315.889 2.297 20 0 DEADHO CC(C)N(C/C=C/Cl)CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001664552658 1080925271 /nfs/dbraw/zinc/92/52/71/1080925271.db2.gz BZNLUSWDIMMPLF-NFBGWVBBSA-N 1 3 315.889 2.297 20 0 DEADHO CC(C)N(C/C=C/Cl)CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001664552658 1080925278 /nfs/dbraw/zinc/92/52/78/1080925278.db2.gz BZNLUSWDIMMPLF-NFBGWVBBSA-N 1 3 315.889 2.297 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001268783744 1080990079 /nfs/dbraw/zinc/99/00/79/1080990079.db2.gz MLWWNSJEALOCFQ-KRWDZBQOSA-N 1 3 321.440 2.166 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCCCF)C1 ZINC001665549783 1081038913 /nfs/dbraw/zinc/03/89/13/1081038913.db2.gz ZOHDDKOSHFORQX-CVEARBPZSA-N 1 3 313.461 2.191 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCCCF)C1 ZINC001665549783 1081038921 /nfs/dbraw/zinc/03/89/21/1081038921.db2.gz ZOHDDKOSHFORQX-CVEARBPZSA-N 1 3 313.461 2.191 20 0 DEADHO C[C@@H](C[NH2+]C/C=C/c1ccccc1)N(C)C(=O)[C@H]1CCCN1C ZINC001666966770 1081198391 /nfs/dbraw/zinc/19/83/91/1081198391.db2.gz CCEHNCHVSJBLKX-SOZFJFGGSA-N 1 3 315.461 2.231 20 0 DEADHO CN(CC(=O)N1CCCC[C@@H]1CC[NH2+]CCCF)C1CCC1 ZINC001667262469 1081231769 /nfs/dbraw/zinc/23/17/69/1081231769.db2.gz LLLWKFYXIQODGY-MRXNPFEDSA-N 1 3 313.461 2.191 20 0 DEADHO CN(CC(=O)N1CCCC[C@H]1CC[NH2+]CCCF)C1CCC1 ZINC001667262468 1081232048 /nfs/dbraw/zinc/23/20/48/1081232048.db2.gz LLLWKFYXIQODGY-INIZCTEOSA-N 1 3 313.461 2.191 20 0 DEADHO CC[C@H](C(=O)NC1(C[NH2+]CC[C@@H](C)F)CCCC1)N(C)C ZINC001269558712 1081289839 /nfs/dbraw/zinc/28/98/39/1081289839.db2.gz FHVZXDOZGUORGJ-ZIAGYGMSSA-N 1 3 301.450 2.093 20 0 DEADHO CC[C@H](C(=O)NC1(C[NH2+]CC[C@H](C)F)CCCC1)N(C)C ZINC001269558711 1081290118 /nfs/dbraw/zinc/29/01/18/1081290118.db2.gz FHVZXDOZGUORGJ-UONOGXRCSA-N 1 3 301.450 2.093 20 0 DEADHO C[C@H](CC[NH2+]Cc1ccccc1F)NC(=O)C1(N(C)C)CCC1 ZINC001668088236 1081314610 /nfs/dbraw/zinc/31/46/10/1081314610.db2.gz WLMYIQALVUKTBJ-CQSZACIVSA-N 1 3 321.440 2.294 20 0 DEADHO CCCN(C)CC(=O)N1CCC2(C[NH+](CCC3CC3)C2)CC1 ZINC001482246092 1081381264 /nfs/dbraw/zinc/38/12/64/1081381264.db2.gz XBUKSUMWOUXPHS-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/CNC/C=C\Cl ZINC001669074737 1081425400 /nfs/dbraw/zinc/42/54/00/1081425400.db2.gz CQYOGALGRXZCSQ-SSFWQIBISA-N 1 3 313.873 2.264 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/CNC/C=C\Cl ZINC001669074737 1081425405 /nfs/dbraw/zinc/42/54/05/1081425405.db2.gz CQYOGALGRXZCSQ-SSFWQIBISA-N 1 3 313.873 2.264 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC[C@H]1CC1(Cl)Cl)N(C)C ZINC001669664861 1081462694 /nfs/dbraw/zinc/46/26/94/1081462694.db2.gz NWGYTJVLPBOPHQ-SRVKXCTJSA-N 1 3 324.296 2.005 20 0 DEADHO CCCCCC[NH2+]C[C@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001270263346 1081489216 /nfs/dbraw/zinc/48/92/16/1081489216.db2.gz LCEYKHYKWQBGMK-IAGOWNOFSA-N 1 3 309.498 2.489 20 0 DEADHO Cc1cccc(C[NH2+]CCCN(C)C(=O)CN2CC[C@H](C)C2)c1 ZINC001670245975 1081505236 /nfs/dbraw/zinc/50/52/36/1081505236.db2.gz LGZVSGBNKXEYBV-KRWDZBQOSA-N 1 3 317.477 2.275 20 0 DEADHO Cc1cccc(C)c1C[NH2+]CCCN(C)C(=O)Cc1c[nH]cn1 ZINC001670261382 1081506309 /nfs/dbraw/zinc/50/63/09/1081506309.db2.gz LVIYIUBVIVYUHH-UHFFFAOYSA-N 1 3 314.433 2.207 20 0 DEADHO C[C@H](C[NH2+]Cc1ccccc1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001482292264 1081536441 /nfs/dbraw/zinc/53/64/41/1081536441.db2.gz PUWJASADTDWQQN-OAHLLOKOSA-N 1 3 303.450 2.107 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC001482292116 1081536534 /nfs/dbraw/zinc/53/65/34/1081536534.db2.gz LEIQGYRYPDKDGJ-MRXNPFEDSA-N 1 3 317.477 2.416 20 0 DEADHO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCN1C1CCCCC1)C2 ZINC001270915987 1081836090 /nfs/dbraw/zinc/83/60/90/1081836090.db2.gz LGPCHBWHXHSIOJ-HKUYNNGSSA-N 1 3 319.493 2.338 20 0 DEADHO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCN1C1CCCCC1)C2 ZINC001270915987 1081836097 /nfs/dbraw/zinc/83/60/97/1081836097.db2.gz LGPCHBWHXHSIOJ-HKUYNNGSSA-N 1 3 319.493 2.338 20 0 DEADHO C[C@H](C[NH2+]CCC1=CCCCC1)N(C)C(=O)[C@@H]1CCCN1C ZINC001270921890 1081839115 /nfs/dbraw/zinc/83/91/15/1081839115.db2.gz PVHAVMUFAIMWOM-WBVHZDCISA-N 1 3 307.482 2.408 20 0 DEADHO C[C@@H](C[NH2+]CCC1=CCCCC1)N(C)C(=O)[C@@H]1CCCN1C ZINC001270921889 1081839709 /nfs/dbraw/zinc/83/97/09/1081839709.db2.gz PVHAVMUFAIMWOM-RDJZCZTQSA-N 1 3 307.482 2.408 20 0 DEADHO C[N@H+](CCCCCF)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001674495843 1081882243 /nfs/dbraw/zinc/88/22/43/1081882243.db2.gz PDTFDFXLJFLHHW-INIZCTEOSA-N 1 3 313.461 2.145 20 0 DEADHO C[N@@H+](CCCCCF)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001674495843 1081882255 /nfs/dbraw/zinc/88/22/55/1081882255.db2.gz PDTFDFXLJFLHHW-INIZCTEOSA-N 1 3 313.461 2.145 20 0 DEADHO C[C@@H](C[NH2+]CCC1CCCCC1)N(C)C(=O)Cc1c[nH]cn1 ZINC001271121804 1081919928 /nfs/dbraw/zinc/91/99/28/1081919928.db2.gz SLFONLVNLOPNGP-AWEZNQCLSA-N 1 3 306.454 2.359 20 0 DEADHO CCCN1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000069468226 1081957414 /nfs/dbraw/zinc/95/74/14/1081957414.db2.gz XDAWAVLOGDHOBP-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000069468226 1081957419 /nfs/dbraw/zinc/95/74/19/1081957419.db2.gz XDAWAVLOGDHOBP-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)=CCN(C)CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001266347927 1081989609 /nfs/dbraw/zinc/98/96/09/1081989609.db2.gz STRSQKVPDZWONO-UHFFFAOYSA-N 1 3 307.482 2.123 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCCCCF)C1 ZINC001266567457 1082164955 /nfs/dbraw/zinc/16/49/55/1082164955.db2.gz FAXBJCSHVJAHIR-JKSUJKDBSA-N 1 3 313.461 2.191 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](N)C2CCCCCC2)C1 ZINC001648976699 1082332442 /nfs/dbraw/zinc/33/24/42/1082332442.db2.gz ZEJBPESNMAJKCA-NVXWUHKLSA-N 1 3 309.498 2.474 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](N)C2CCCCCC2)C1 ZINC001648976699 1082332450 /nfs/dbraw/zinc/33/24/50/1082332450.db2.gz ZEJBPESNMAJKCA-NVXWUHKLSA-N 1 3 309.498 2.474 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001482693784 1082487680 /nfs/dbraw/zinc/48/76/80/1082487680.db2.gz NNJCNNLPHMODEM-QWHCGFSZSA-N 1 3 323.403 2.155 20 0 DEADHO CCN(CC[NH2+]Cc1ccccc1C)C(=O)[C@@H]1CCCN1C ZINC001482914319 1082560356 /nfs/dbraw/zinc/56/03/56/1082560356.db2.gz LRVDSQVRYOJMLP-KRWDZBQOSA-N 1 3 303.450 2.027 20 0 DEADHO CCN(CC[NH2+]Cc1cc(C)sc1C)C(=O)CN1CCCC1 ZINC001482968570 1082584733 /nfs/dbraw/zinc/58/47/33/1082584733.db2.gz OPUQATILBPLKJI-UHFFFAOYSA-N 1 3 323.506 2.399 20 0 DEADHO CCN(CC[NH2+]Cc1ccc(C)cc1)C(=O)CN(C)C(C)C ZINC001482969727 1082586646 /nfs/dbraw/zinc/58/66/46/1082586646.db2.gz JOZXIYXXRBFMDZ-UHFFFAOYSA-N 1 3 305.466 2.273 20 0 DEADHO CN(C)C1(C(=O)NC/C=C/C[NH2+]CC2CC(C)(C)C2)CCC1 ZINC001483016995 1082626392 /nfs/dbraw/zinc/62/63/92/1082626392.db2.gz HUOQSBDFPVIINZ-AATRIKPKSA-N 1 3 307.482 2.169 20 0 DEADHO Cc1ccc(CNC[C@@H](C)NC(=O)CC[NH+](C)C)c(Cl)c1 ZINC001483162463 1082783974 /nfs/dbraw/zinc/78/39/74/1082783974.db2.gz FSMXFZPAJLMXMN-CYBMUJFWSA-N 1 3 311.857 2.194 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]C/C=C/Cl)C1CC1 ZINC001276595093 1083506146 /nfs/dbraw/zinc/50/61/46/1083506146.db2.gz KATDHLSRQJMTMK-VSWCJUERSA-N 1 3 313.873 2.098 20 0 DEADHO C[NH+](C)CCN1CC[C@@]2(C1)CCCN(Cc1cc(F)ccn1)C2 ZINC001276697756 1083554360 /nfs/dbraw/zinc/55/43/60/1083554360.db2.gz FSWBLBRHOIPGQI-GOSISDBHSA-N 1 3 320.456 2.070 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCC1)CC2 ZINC001107646811 1083563197 /nfs/dbraw/zinc/56/31/97/1083563197.db2.gz XGHWRMMDZHCKMQ-IEBWSBKVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCC1)CC2 ZINC001107646811 1083563200 /nfs/dbraw/zinc/56/32/00/1083563200.db2.gz XGHWRMMDZHCKMQ-IEBWSBKVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CCF ZINC001277313274 1083907578 /nfs/dbraw/zinc/90/75/78/1083907578.db2.gz FRVPYSXZFPEGAD-CABCVRRESA-N 1 3 301.450 2.093 20 0 DEADHO CC/C=C\CCN1CC2(C[C@H]2C(=O)N(C)CC[NH+](CC)CC)C1 ZINC001277526813 1084018446 /nfs/dbraw/zinc/01/84/46/1084018446.db2.gz OFDDLNOPTBPBDX-JJEJIETFSA-N 1 3 321.509 2.465 20 0 DEADHO CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C(C)(C)N1CCCCC1 ZINC001277646581 1084075658 /nfs/dbraw/zinc/07/56/58/1084075658.db2.gz IQUPMTQGZMKQBP-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CCOc1cc(CN2CCC(C[NH3+])CC2)ccc1OC(C)=O ZINC001205040676 1084543633 /nfs/dbraw/zinc/54/36/33/1084543633.db2.gz HDPROCBTDHHITJ-UHFFFAOYSA-N 1 3 306.406 2.181 20 0 DEADHO C[C@@H](c1ccccc1)N1CCN(CC[C@H]2COC(C)(C)[NH2+]2)CC1 ZINC001235863090 1084553560 /nfs/dbraw/zinc/55/35/60/1084553560.db2.gz BXXDMYVBZDQKFK-WMZOPIPTSA-N 1 3 317.477 2.480 20 0 DEADHO C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)NCCF ZINC001485914300 1084979768 /nfs/dbraw/zinc/97/97/68/1084979768.db2.gz XXLSBQFCPHKOAE-ZBFHGGJFSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)NCCF ZINC001485914300 1084979774 /nfs/dbraw/zinc/97/97/74/1084979774.db2.gz XXLSBQFCPHKOAE-ZBFHGGJFSA-N 1 3 313.461 2.190 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C)[C@@H]1C ZINC001486093538 1085055216 /nfs/dbraw/zinc/05/52/16/1085055216.db2.gz XVMVAMRVLJUHQB-FUHWJXTLSA-N 1 3 317.477 2.416 20 0 DEADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]Cc2cccc(C)c2)C1 ZINC001486481130 1085362453 /nfs/dbraw/zinc/36/24/53/1085362453.db2.gz BBFWHDIWMFALRH-UHFFFAOYSA-N 1 3 317.477 2.416 20 0 DEADHO C[C@H]1CCCN1CC(=O)NC1CC2(C1)CC([NH2+]CCC1CC1)C2 ZINC000965064424 1085512890 /nfs/dbraw/zinc/51/28/90/1085512890.db2.gz PJLPGJPXUZWMTH-SZVPOOPASA-N 1 3 319.493 2.288 20 0 DEADHO CC1CCN(CC(=O)N2CCC[C@@H]2C[N@H+](C)CC2CC2)CC1 ZINC000960941632 1085515217 /nfs/dbraw/zinc/51/52/17/1085515217.db2.gz UCMHRTUYMNIGIW-QGZVFWFLSA-N 1 3 307.482 2.051 20 0 DEADHO CC1CCN(CC(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CC2)CC1 ZINC000960941632 1085515226 /nfs/dbraw/zinc/51/52/26/1085515226.db2.gz UCMHRTUYMNIGIW-QGZVFWFLSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961235930 1085648369 /nfs/dbraw/zinc/64/83/69/1085648369.db2.gz XIYSBHCFVHHVOI-JKSUJKDBSA-N 1 3 318.465 2.169 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961235930 1085648374 /nfs/dbraw/zinc/64/83/74/1085648374.db2.gz XIYSBHCFVHHVOI-JKSUJKDBSA-N 1 3 318.465 2.169 20 0 DEADHO CC[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+](CC)C2)CC1)N(C)C ZINC000961413357 1085724090 /nfs/dbraw/zinc/72/40/90/1085724090.db2.gz ZHIUKVHKHNVAOZ-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+](CC)C2)CC1)N(C)C ZINC000961413357 1085724097 /nfs/dbraw/zinc/72/40/97/1085724097.db2.gz ZHIUKVHKHNVAOZ-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccsc1)N(C)C ZINC001273001650 1085876956 /nfs/dbraw/zinc/87/69/56/1085876956.db2.gz LGSWIPLNVJCCBV-UKRRQHHQSA-N 1 3 311.495 2.319 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NC1CC(C[NH2+]Cc2ccsc2)C1 ZINC000962307397 1086061260 /nfs/dbraw/zinc/06/12/60/1086061260.db2.gz RGFSOANCJPWGRU-IUDNXUCKSA-N 1 3 321.490 2.217 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+][C@@H]1CCc2ccccc21 ZINC001128532936 1086186269 /nfs/dbraw/zinc/18/62/69/1086186269.db2.gz BPDSLJUZUHJACG-IAGOWNOFSA-N 1 3 321.440 2.060 20 0 DEADHO CN(C(=O)[C@H]1CCCN1C)C1CCC([NH2+]CC2CCC2)CC1 ZINC000963158256 1086319071 /nfs/dbraw/zinc/31/90/71/1086319071.db2.gz VZWHSHLFQDEBSV-OFLPRAFFSA-N 1 3 307.482 2.240 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CC(C)(C)C ZINC001114849653 1089156902 /nfs/dbraw/zinc/15/69/02/1089156902.db2.gz UYCCKCQTSVQKLX-VQFNDLOPSA-N 1 3 323.525 2.447 20 0 DEADHO CCC(CC)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CC(C)(C)C ZINC001114849653 1089156913 /nfs/dbraw/zinc/15/69/13/1089156913.db2.gz UYCCKCQTSVQKLX-VQFNDLOPSA-N 1 3 323.525 2.447 20 0 DEADHO C[C@@H]1C[N@H+](CC2CC2)C[C@H]1NC(=O)c1ccccc1CN(C)C ZINC001080998937 1089273243 /nfs/dbraw/zinc/27/32/43/1089273243.db2.gz UQLGBISBJHZEGN-RDTXWAMCSA-N 1 3 315.461 2.208 20 0 DEADHO C[C@@H]1C[N@@H+](CC2CC2)C[C@H]1NC(=O)c1ccccc1CN(C)C ZINC001080998937 1089273258 /nfs/dbraw/zinc/27/32/58/1089273258.db2.gz UQLGBISBJHZEGN-RDTXWAMCSA-N 1 3 315.461 2.208 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C(C)C)C1)N(C)C ZINC001081133602 1089361259 /nfs/dbraw/zinc/36/12/59/1089361259.db2.gz BDCKKPDENZSNBY-RCCFBDPRSA-N 1 3 317.477 2.319 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccsc1 ZINC000959921940 1089849073 /nfs/dbraw/zinc/84/90/73/1089849073.db2.gz AHDMVTPVIUFYOI-JKSUJKDBSA-N 1 3 321.490 2.313 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CC2)C1 ZINC001082783179 1090078026 /nfs/dbraw/zinc/07/80/26/1090078026.db2.gz FXZKSFKJVDKFHU-KBAYOESNSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)=CCN1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001084608792 1090349476 /nfs/dbraw/zinc/34/94/76/1090349476.db2.gz LOFKDXMSKNXLPN-WNRNVDISSA-N 1 3 319.493 2.216 20 0 DEADHO CC(C)=CCN1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001084608792 1090349484 /nfs/dbraw/zinc/34/94/84/1090349484.db2.gz LOFKDXMSKNXLPN-WNRNVDISSA-N 1 3 319.493 2.216 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(C)C)[C@H]2C1 ZINC001084953548 1090543468 /nfs/dbraw/zinc/54/34/68/1090543468.db2.gz TUFVEPXSYFQAGW-SQNIBIBYSA-N 1 3 321.509 2.440 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(C)C)[C@H]2C1 ZINC001084953548 1090543470 /nfs/dbraw/zinc/54/34/70/1090543470.db2.gz TUFVEPXSYFQAGW-SQNIBIBYSA-N 1 3 321.509 2.440 20 0 DEADHO C[NH+](C)CC(C)(C)CNc1cncc([C@H]2CN3CCC2CC3)n1 ZINC001168766524 1090662287 /nfs/dbraw/zinc/66/22/87/1090662287.db2.gz NINNHRSFRBYTOG-HNNXBMFYSA-N 1 3 317.481 2.286 20 0 DEADHO CCN(CC[NH2+]C/C=C/Cl)C(=O)[C@H]1CCCCN1CC ZINC001320929611 1091392030 /nfs/dbraw/zinc/39/20/30/1091392030.db2.gz TXYQLJXDFIYTMX-RCQQVGEISA-N 1 3 301.862 2.051 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)C1CC[NH+](CC2CC2)CC1 ZINC001411241791 1091458542 /nfs/dbraw/zinc/45/85/42/1091458542.db2.gz YVWCOJJTRHLXEW-AWEZNQCLSA-N 1 3 307.482 2.097 20 0 DEADHO CN(CCC[NH2+]Cc1ccsc1)C(=O)[C@H]1CCCCN1C ZINC001276077346 1091512094 /nfs/dbraw/zinc/51/20/94/1091512094.db2.gz WXQIPNOZAVTTBD-OAHLLOKOSA-N 1 3 309.479 2.171 20 0 DEADHO CCC1(C[NH+]2CCC3(CCN(Cc4cn[nH]c4)C3)CC2)COC1 ZINC001275187933 1091607987 /nfs/dbraw/zinc/60/79/87/1091607987.db2.gz GDKJFMNZVPEKLZ-UHFFFAOYSA-N 1 3 318.465 2.124 20 0 DEADHO CC(C)[NH2+]CCCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001276226372 1091718475 /nfs/dbraw/zinc/71/84/75/1091718475.db2.gz FCYMAWUNLNXDEB-INIZCTEOSA-N 1 3 301.450 2.045 20 0 DEADHO CCCC[NH2+]CCCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001276227241 1091718360 /nfs/dbraw/zinc/71/83/60/1091718360.db2.gz PHCHMMZWGHQHJJ-QGZVFWFLSA-N 1 3 315.477 2.437 20 0 DEADHO Cc1cccnc1CN1CCC[C@]2(CC[N@@H+](CCN(C)C)C2)C1 ZINC001276257854 1091752771 /nfs/dbraw/zinc/75/27/71/1091752771.db2.gz TWWDOHDJZVGVRZ-LJQANCHMSA-N 1 3 316.493 2.240 20 0 DEADHO Cc1cccnc1CN1CCC[C@]2(CC[N@H+](CCN(C)C)C2)C1 ZINC001276257854 1091752776 /nfs/dbraw/zinc/75/27/76/1091752776.db2.gz TWWDOHDJZVGVRZ-LJQANCHMSA-N 1 3 316.493 2.240 20 0 DEADHO C[NH+](C)CCCCC(=O)N[C@@H]1CCCN(C/C=C\Cl)CC1 ZINC001273468188 1091862007 /nfs/dbraw/zinc/86/20/07/1091862007.db2.gz XLGVORBMFLKNIY-IZIDJEDMSA-N 1 3 315.889 2.442 20 0 DEADHO CCC[N@@H+]1CCC[C@H](N(C)C(=O)CN2CCC(C)(C)C2)CC1 ZINC000948771033 1091927211 /nfs/dbraw/zinc/92/72/11/1091927211.db2.gz MSJGLHQSFQZPQW-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@H+]1CCC[C@H](N(C)C(=O)CN2CCC(C)(C)C2)CC1 ZINC000948771033 1091927219 /nfs/dbraw/zinc/92/72/19/1091927219.db2.gz MSJGLHQSFQZPQW-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001411644118 1091956531 /nfs/dbraw/zinc/95/65/31/1091956531.db2.gz IMLYSCBPOAKRLC-YESZJQIVSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001411644118 1091956538 /nfs/dbraw/zinc/95/65/38/1091956538.db2.gz IMLYSCBPOAKRLC-YESZJQIVSA-N 1 3 309.498 2.343 20 0 DEADHO CN1CCN(CCCOC2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001206591937 1091982721 /nfs/dbraw/zinc/98/27/21/1091982721.db2.gz YNQPQFPFEYBBNJ-UHFFFAOYSA-N 1 3 311.514 2.292 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001488771883 1092743141 /nfs/dbraw/zinc/74/31/41/1092743141.db2.gz RLEDSLZFAUXAKA-HYVNUMGLSA-N 1 3 323.525 2.493 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@H]2C[C@H]([NH2+]CCCF)C2)c1 ZINC001488879897 1092821790 /nfs/dbraw/zinc/82/17/90/1092821790.db2.gz INIKKKUQTKCIAH-JCNLHEQBSA-N 1 3 321.440 2.206 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1C/C=C\c1ccccc1 ZINC001489286956 1093004174 /nfs/dbraw/zinc/00/41/74/1093004174.db2.gz NEDROWHRGMKENL-FNKXVUGSSA-N 1 3 315.461 2.231 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCCCCF)[C@@H]1C)N(C)C ZINC001489305422 1093009430 /nfs/dbraw/zinc/00/94/30/1093009430.db2.gz RYKORTIYDSNGHM-PMPSAXMXSA-N 1 3 315.477 2.291 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CCCCCF)[C@@H]1C)N(C)C ZINC001489305422 1093009434 /nfs/dbraw/zinc/00/94/34/1093009434.db2.gz RYKORTIYDSNGHM-PMPSAXMXSA-N 1 3 315.477 2.291 20 0 DEADHO CN(CC(=O)NCCC[N@H+](C)Cc1cccc(F)c1)C1CCC1 ZINC001490208685 1093225796 /nfs/dbraw/zinc/22/57/96/1093225796.db2.gz XLWPHDXYPIPMGX-UHFFFAOYSA-N 1 3 321.440 2.248 20 0 DEADHO CN(CC(=O)NCCC[N@@H+](C)Cc1cccc(F)c1)C1CCC1 ZINC001490208685 1093225800 /nfs/dbraw/zinc/22/58/00/1093225800.db2.gz XLWPHDXYPIPMGX-UHFFFAOYSA-N 1 3 321.440 2.248 20 0 DEADHO CC(C)=CC[NH+]1CCC2(C[C@H]2NC(=O)C2(N(C)C)CCC2)CC1 ZINC001490594693 1093435532 /nfs/dbraw/zinc/43/55/32/1093435532.db2.gz HUJZKOSIVZHVTO-MRXNPFEDSA-N 1 3 319.493 2.408 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]([NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001490736251 1093497769 /nfs/dbraw/zinc/49/77/69/1093497769.db2.gz DBVDCIGSGQSLMO-INIZCTEOSA-N 1 3 318.465 2.181 20 0 DEADHO Cc1sccc1CN1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001274074264 1093790664 /nfs/dbraw/zinc/79/06/64/1093790664.db2.gz UKVMSUOAEXQIQZ-QGZVFWFLSA-N 1 3 321.490 2.185 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@]1(C)CCN(Cc2csc(C)c2)C1 ZINC001421213672 1171595578 /nfs/dbraw/zinc/59/55/78/1171595578.db2.gz PEMJQVRONJZBNJ-QGZVFWFLSA-N 1 3 323.506 2.479 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@]1(C)CCN(Cc2csc(C)c2)C1 ZINC001421213672 1171595587 /nfs/dbraw/zinc/59/55/87/1171595587.db2.gz PEMJQVRONJZBNJ-QGZVFWFLSA-N 1 3 323.506 2.479 20 0 DEADHO Nc1cc(CN(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)ccn1 ZINC001236564983 1138376198 /nfs/dbraw/zinc/37/61/98/1138376198.db2.gz RUSZMXDWZRPUFT-QAQDUYKDSA-N 1 3 311.433 2.331 20 0 DEADHO C[C@H]1CN(Cc2ccc3n2CCNC3)CC[N@@H+]1C1CCCCC1 ZINC001237250793 1138551290 /nfs/dbraw/zinc/55/12/90/1138551290.db2.gz YADGXLREYCEGQY-INIZCTEOSA-N 1 3 316.493 2.430 20 0 DEADHO C[C@H]1CN(Cc2ccc3n2CCNC3)CC[N@H+]1C1CCCCC1 ZINC001237250793 1138551301 /nfs/dbraw/zinc/55/13/01/1138551301.db2.gz YADGXLREYCEGQY-INIZCTEOSA-N 1 3 316.493 2.430 20 0 DEADHO CCOC(=O)[C@@H]1CN(Cc2cccc(F)c2C)CCC12C[NH2+]C2 ZINC001237431425 1138621535 /nfs/dbraw/zinc/62/15/35/1138621535.db2.gz SFMMELXMEDCQNK-HNNXBMFYSA-N 1 3 320.408 2.109 20 0 DEADHO Cc1ccccc1NC(=S)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239364410 1139029876 /nfs/dbraw/zinc/02/98/76/1139029876.db2.gz XIOVKLYPNLRKOB-AWEZNQCLSA-N 1 3 318.490 2.156 20 0 DEADHO c1ccc(CN2CC=C(c3ncnc4c3C[NH2+]CC4)CC2)cc1 ZINC001241501913 1139822340 /nfs/dbraw/zinc/82/23/40/1139822340.db2.gz ZLGSAGCELRZSPG-UHFFFAOYSA-N 1 3 306.413 2.412 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[NH2+]CCCCC(F)(F)F ZINC001491651495 1140241664 /nfs/dbraw/zinc/24/16/64/1140241664.db2.gz QNQCMSKBRNRBMC-SNVBAGLBSA-N 1 3 320.359 2.088 20 0 DEADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CCC1CCCC1 ZINC001319196120 1140523974 /nfs/dbraw/zinc/52/39/74/1140523974.db2.gz KRVBSHMJKQXTCA-HNNXBMFYSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)(C)C(=O)Nc1ccc(CN)nc1-c1ccncc1C[NH3+] ZINC001245554617 1140758041 /nfs/dbraw/zinc/75/80/41/1140758041.db2.gz CYCRVHPEIXSFND-UHFFFAOYSA-N 1 3 313.405 2.046 20 0 DEADHO CCCC[C@H](CC)COC[C@H](O)CN1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246034269 1140851610 /nfs/dbraw/zinc/85/16/10/1140851610.db2.gz XBXXVKKXUHBYBJ-YVSFHVDLSA-N 1 3 318.477 2.342 20 0 DEADHO C[C@@H]1C[C@H](N[C@H]2CCNC[C@H]2F)CC[N@@H+]1Cc1ccccc1 ZINC001246087864 1140859062 /nfs/dbraw/zinc/85/90/62/1140859062.db2.gz QIUPHQFNXRLAEX-DDBAPUKQSA-N 1 3 305.441 2.329 20 0 DEADHO C[C@@H]1C[C@H](N[C@H]2CCNC[C@H]2F)CC[N@H+]1Cc1ccccc1 ZINC001246087864 1140859063 /nfs/dbraw/zinc/85/90/63/1140859063.db2.gz QIUPHQFNXRLAEX-DDBAPUKQSA-N 1 3 305.441 2.329 20 0 DEADHO O[C@]1(CN[C@H]2CCc3cc(Cl)ccc3C2)CCCC[NH2+]C1 ZINC001246090987 1140860189 /nfs/dbraw/zinc/86/01/89/1140860189.db2.gz CLBCLQOJLQSGER-DLBZAZTESA-N 1 3 308.853 2.292 20 0 DEADHO O[C@]1(C[NH2+][C@H]2CCc3cc(Cl)ccc3C2)CCCCNC1 ZINC001246090987 1140860190 /nfs/dbraw/zinc/86/01/90/1140860190.db2.gz CLBCLQOJLQSGER-DLBZAZTESA-N 1 3 308.853 2.292 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@@H]1CN[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001246121734 1140862925 /nfs/dbraw/zinc/86/29/25/1140862925.db2.gz SELYWJQCVMSXIR-KBAYOESNSA-N 1 3 315.461 2.126 20 0 DEADHO O=C(OC1CCC([NH2+][C@@H]2CNCC23CC3)CC1)c1ccccc1 ZINC001246136736 1140864897 /nfs/dbraw/zinc/86/48/97/1140864897.db2.gz XSHKGDOVGWKMSB-OFLPRAFFSA-N 1 3 314.429 2.496 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CCC2CCN(C(=O)C(C)(C)C)CC2)CCN1 ZINC001246258612 1140878799 /nfs/dbraw/zinc/87/87/99/1140878799.db2.gz XRVYPGQKYFPIKV-GDBMZVCRSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]1CC[C@H](NCCC2CCN(C(=O)C(C)(C)C)CC2)C[NH2+]1 ZINC001246257451 1140878921 /nfs/dbraw/zinc/87/89/21/1140878921.db2.gz SZRWPNWIWRYWCQ-ZBFHGGJFSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)NCC[NH2+]CCO ZINC001246377179 1140890744 /nfs/dbraw/zinc/89/07/44/1140890744.db2.gz DTXYPYXQBNAQKU-LLVKDONJSA-N 1 3 305.249 2.486 20 0 DEADHO COc1ccc(CC2([NH2+]C3CCNCC3)CCOCC2)cc1 ZINC001246402445 1140894139 /nfs/dbraw/zinc/89/41/39/1140894139.db2.gz AFFUTYJSDXTHSW-UHFFFAOYSA-N 1 3 304.434 2.129 20 0 DEADHO CCN(CC)C(=O)c1ccc(CC[NH2+][C@H]2CCN[C@@H](C)C2)cc1 ZINC001246487096 1140921758 /nfs/dbraw/zinc/92/17/58/1140921758.db2.gz ZFWNSNHSWWPWMY-YJBOKZPZSA-N 1 3 317.477 2.441 20 0 DEADHO CCN(CC)C(=O)c1ccc(CCN[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC001246487096 1140921762 /nfs/dbraw/zinc/92/17/62/1140921762.db2.gz ZFWNSNHSWWPWMY-YJBOKZPZSA-N 1 3 317.477 2.441 20 0 DEADHO C[C@@]1([NH3+])CCCN([C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001246548036 1140955208 /nfs/dbraw/zinc/95/52/08/1140955208.db2.gz FBZAVKFYJDOGKR-PKOBYXMFSA-N 1 3 315.461 2.495 20 0 DEADHO COC(=O)CC1CCC(N2CCC(F)(F)[C@H](C[NH3+])C2)CC1 ZINC001246562644 1140966223 /nfs/dbraw/zinc/96/62/23/1140966223.db2.gz ZARYKEXDEMHTLL-OTTFEQOBSA-N 1 3 304.381 2.024 20 0 DEADHO C[C@@H]1C[C@@H](N2C[C@@H]([NH3+])CC(F)(F)C2)CN1Cc1ccccc1 ZINC001246585454 1140987203 /nfs/dbraw/zinc/98/72/03/1140987203.db2.gz KRMGMOYGHNWRQA-VNQPRFMTSA-N 1 3 309.404 2.318 20 0 DEADHO Cc1ccc(C[C@@H](C)N2CC[NH2+]C[C@@]3(CCCCN3)C2)cc1 ZINC001246621398 1141007001 /nfs/dbraw/zinc/00/70/01/1141007001.db2.gz BNZNGYSJURJTDK-MJGOQNOKSA-N 1 3 301.478 2.344 20 0 DEADHO Cc1ccc(C[C@@H](C)N2CC[NH2+]C[C@]3(CCCCN3)C2)cc1 ZINC001246621397 1141007575 /nfs/dbraw/zinc/00/75/75/1141007575.db2.gz BNZNGYSJURJTDK-IEBWSBKVSA-N 1 3 301.478 2.344 20 0 DEADHO [NH3+]CC1(F)CCN([C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001246631848 1141013071 /nfs/dbraw/zinc/01/30/71/1141013071.db2.gz XKDMASVLMUZMPS-INIZCTEOSA-N 1 3 319.424 2.054 20 0 DEADHO Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@@H+](C3CCNCC3)C[C@H]21 ZINC001246756510 1141051284 /nfs/dbraw/zinc/05/12/84/1141051284.db2.gz SJHMZYUOLINWIZ-WBVHZDCISA-N 1 3 322.456 2.411 20 0 DEADHO Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@H+](C3CCNCC3)C[C@H]21 ZINC001246756510 1141051293 /nfs/dbraw/zinc/05/12/93/1141051293.db2.gz SJHMZYUOLINWIZ-WBVHZDCISA-N 1 3 322.456 2.411 20 0 DEADHO C[C@@H]1C[C@H]([N@@H+]2CCCC[C@H]2[C@H](C(N)=O)c2ccccc2)CCN1 ZINC001246848317 1141085620 /nfs/dbraw/zinc/08/56/20/1141085620.db2.gz OCRUFLRCEBLQRW-NRSFXHEJSA-N 1 3 315.461 2.251 20 0 DEADHO C[C@@H]1C[C@H]([N@H+]2CCCC[C@H]2[C@H](C(N)=O)c2ccccc2)CCN1 ZINC001246848317 1141085624 /nfs/dbraw/zinc/08/56/24/1141085624.db2.gz OCRUFLRCEBLQRW-NRSFXHEJSA-N 1 3 315.461 2.251 20 0 DEADHO CC[C@H](F)CNC/C=C\CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001321281771 1141119002 /nfs/dbraw/zinc/11/90/02/1141119002.db2.gz SLSOLJZXPUSKQP-KQLNYGGHSA-N 1 3 313.461 2.261 20 0 DEADHO COC(=O)[C@@H]1CN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1c1ccccc1 ZINC001246983753 1141213889 /nfs/dbraw/zinc/21/38/89/1141213889.db2.gz IJXVBPCGVVCGOH-ZFHLEULCSA-N 1 3 314.429 2.158 20 0 DEADHO Cc1ccc(C[NH2+]C/C=C/CNC(=O)CN(C)C(C)C)cc1 ZINC001321421571 1141241432 /nfs/dbraw/zinc/24/14/32/1141241432.db2.gz WOKRFLBZBLHJOX-AATRIKPKSA-N 1 3 303.450 2.097 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C/C=C\Cl)C2 ZINC001421512996 1171828157 /nfs/dbraw/zinc/82/81/57/1171828157.db2.gz DSQISMSXCHFLOK-SKRFXGAOSA-N 1 3 313.873 2.050 20 0 DEADHO CCCCc1ccc(-c2noc(C34CNCC3C[NH2+]C4)n2)cc1 ZINC001247856751 1141564034 /nfs/dbraw/zinc/56/40/34/1141564034.db2.gz OXAPOBHEBZGPNL-UHFFFAOYSA-N 1 3 312.417 2.140 20 0 DEADHO CC(C)CN1CCC([NH2+]C[C@@H](O)COc2cccc(F)c2)CC1 ZINC001250829465 1142329930 /nfs/dbraw/zinc/32/99/30/1142329930.db2.gz IHAAQHAVZDPXRJ-QGZVFWFLSA-N 1 3 324.440 2.275 20 0 DEADHO CC[NH+](CC)C[C@H](O)CNCCc1c[nH]c2cc(F)ccc12 ZINC001253206951 1142853990 /nfs/dbraw/zinc/85/39/90/1142853990.db2.gz UVCHRSCPRJDVEE-OAHLLOKOSA-N 1 3 307.413 2.142 20 0 DEADHO CC[NH+](CC)C[C@H](O)CN[C@H]1CCc2c3ccccc3[nH]c2C1 ZINC001253211233 1142854434 /nfs/dbraw/zinc/85/44/34/1142854434.db2.gz UNKPJKPGFWICJB-LSDHHAIUSA-N 1 3 315.461 2.318 20 0 DEADHO CCN(CC)C[C@H](O)C[NH2+][C@@H]1CSc2ccc(OC)cc2C1 ZINC001253216027 1142855575 /nfs/dbraw/zinc/85/55/75/1142855575.db2.gz FXBGAVUHDMIESX-LSDHHAIUSA-N 1 3 324.490 2.004 20 0 DEADHO COCCOc1ccc(C[NH2+][C@H]2CCCN(C)CC2)cc1OC ZINC001254511704 1143168211 /nfs/dbraw/zinc/16/82/11/1143168211.db2.gz DBMOMCBOIIUNKC-INIZCTEOSA-N 1 3 322.449 2.294 20 0 DEADHO CN(CC1C[NH+]([C@@H]2CCCN(C)CC2)C1)C(=O)OC(C)(C)C ZINC001254518280 1143178145 /nfs/dbraw/zinc/17/81/45/1143178145.db2.gz BOOMUGATTOOKCK-OAHLLOKOSA-N 1 3 311.470 2.269 20 0 DEADHO CC(C)Oc1ncnc2c1CC[N@@H+]([C@H]1CCCN(C)CC1)CC2 ZINC001254518080 1143180954 /nfs/dbraw/zinc/18/09/54/1143180954.db2.gz KHINSVFTSSEFSG-HNNXBMFYSA-N 1 3 318.465 2.149 20 0 DEADHO CC(C)Oc1ncnc2c1CC[N@H+]([C@H]1CCCN(C)CC1)CC2 ZINC001254518080 1143180977 /nfs/dbraw/zinc/18/09/77/1143180977.db2.gz KHINSVFTSSEFSG-HNNXBMFYSA-N 1 3 318.465 2.149 20 0 DEADHO COCCCN1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001255667849 1143800801 /nfs/dbraw/zinc/80/08/01/1143800801.db2.gz ULDDMZGWWMLXSL-AYHJJNSGSA-N 1 3 309.498 2.092 20 0 DEADHO CCN(CC)CC[C@H](C)[NH2+][C@H](CO)Cc1cccc(OC)c1 ZINC001255948864 1143816317 /nfs/dbraw/zinc/81/63/17/1143816317.db2.gz QSTNHCFFXVGOBJ-RDJZCZTQSA-N 1 3 308.466 2.309 20 0 DEADHO CCN(CC)CC[C@H](C)[NH+]1CCC2(CCN(CC)C2=O)CC1 ZINC001255970776 1143817959 /nfs/dbraw/zinc/81/79/59/1143817959.db2.gz FTQWORHWKGVFHY-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO FC(F)(F)c1nn(C2CC[NH+](C3CC3)CC2)c2c1CCNC2 ZINC001256081258 1143828832 /nfs/dbraw/zinc/82/88/32/1143828832.db2.gz VTKOAQWWJYWPHG-UHFFFAOYSA-N 1 3 314.355 2.347 20 0 DEADHO C[NH+]1CCC(N2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC1 ZINC001256205713 1143835886 /nfs/dbraw/zinc/83/58/86/1143835886.db2.gz XVGAEXRIMQATBY-LSDHHAIUSA-N 1 3 305.447 2.022 20 0 DEADHO COCC[N@H+](C1CCN(C)CC1)C1CCN(C(C)(C)C)CC1 ZINC001256572110 1143854582 /nfs/dbraw/zinc/85/45/82/1143854582.db2.gz OMASWONFDWKNFY-UHFFFAOYSA-N 1 3 311.514 2.292 20 0 DEADHO COCC[N@@H+](C1CCN(C)CC1)C1CCN(C(C)(C)C)CC1 ZINC001256572110 1143854584 /nfs/dbraw/zinc/85/45/84/1143854584.db2.gz OMASWONFDWKNFY-UHFFFAOYSA-N 1 3 311.514 2.292 20 0 DEADHO Oc1cccc(CC[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256678830 1143861262 /nfs/dbraw/zinc/86/12/62/1143861262.db2.gz QZIPXSCSQNSGIO-UHFFFAOYSA-N 1 3 304.434 2.168 20 0 DEADHO COc1ccc(CC[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256682199 1143861759 /nfs/dbraw/zinc/86/17/59/1143861759.db2.gz GGHBCPRFIIUDDJ-UHFFFAOYSA-N 1 3 318.461 2.471 20 0 DEADHO C1CO[C@@H]2CC[N@@H+](C3CCC(N4CCOCC4)CC3)C[C@@H]2C1 ZINC001256689401 1143862366 /nfs/dbraw/zinc/86/23/66/1143862366.db2.gz VKORWLACOVBXIW-FCCDEINASA-N 1 3 308.466 2.131 20 0 DEADHO C1CO[C@@H]2CC[N@H+](C3CCC(N4CCOCC4)CC3)C[C@@H]2C1 ZINC001256689401 1143862368 /nfs/dbraw/zinc/86/23/68/1143862368.db2.gz VKORWLACOVBXIW-FCCDEINASA-N 1 3 308.466 2.131 20 0 DEADHO CCO[C@@H]1C[C@H]2CN([C@H]3CCC[N@@H+](C4CCCC4)C3)CCN2C1 ZINC001256918512 1143875108 /nfs/dbraw/zinc/87/51/08/1143875108.db2.gz MNCIIYCPEWWLRI-GBESFXJTSA-N 1 3 321.509 2.188 20 0 DEADHO CCO[C@@H]1C[C@H]2CN([C@H]3CCC[N@H+](C4CCCC4)C3)CCN2C1 ZINC001256918512 1143875110 /nfs/dbraw/zinc/87/51/10/1143875110.db2.gz MNCIIYCPEWWLRI-GBESFXJTSA-N 1 3 321.509 2.188 20 0 DEADHO CCCN1C[C@H]2C[NH+](C3CCC(CC(=O)OC)CC3)C[C@@H]2C1 ZINC001256990351 1143878845 /nfs/dbraw/zinc/87/88/45/1143878845.db2.gz DZVMADKICLREPD-YZUHTNEWSA-N 1 3 308.466 2.382 20 0 DEADHO CC(C)[NH+]1CCC(N[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC001257211358 1143893217 /nfs/dbraw/zinc/89/32/17/1143893217.db2.gz IGBAGUVNKGPSOD-GOSISDBHSA-N 1 3 315.461 2.364 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001263917660 1144423404 /nfs/dbraw/zinc/42/34/04/1144423404.db2.gz BPGZAPNXGRWGPA-GVDBMIGSSA-N 1 3 309.498 2.413 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCCCC(F)(F)F)C1)N(C)C ZINC001265454631 1144704979 /nfs/dbraw/zinc/70/49/79/1144704979.db2.gz XQDMSWKJKZTDQD-STQMWFEESA-N 1 3 323.403 2.250 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001265504966 1144707698 /nfs/dbraw/zinc/70/76/98/1144707698.db2.gz PCOUTUJEJBFKQL-HDJSIYSDSA-N 1 3 306.454 2.324 20 0 DEADHO CC(C)[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]C/C=C\Cl)N(C)C ZINC001265682324 1144727135 /nfs/dbraw/zinc/72/71/35/1144727135.db2.gz PRGWSIJUTOCFRX-UEDYQVLESA-N 1 3 315.889 2.296 20 0 DEADHO CC(C)CN1CCC([NH2+][C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000393370196 1144741270 /nfs/dbraw/zinc/74/12/70/1144741270.db2.gz GSWBLVJIPLIIMV-KRWDZBQOSA-N 1 3 317.481 2.155 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001265964691 1144771872 /nfs/dbraw/zinc/77/18/72/1144771872.db2.gz ZKGCRVNFVXFAOZ-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H](C)[C@@H](C[NH2+]CC3CC3)C2)CC1 ZINC001364635838 1145393459 /nfs/dbraw/zinc/39/34/59/1145393459.db2.gz PZTVHNUGHBLBJJ-WMZOPIPTSA-N 1 3 321.509 2.203 20 0 DEADHO COC(=O)c1cc(CNCc2cccc(C[NH+](C)C)c2)c[nH]1 ZINC001364860931 1145636121 /nfs/dbraw/zinc/63/61/21/1145636121.db2.gz AXUVRTXPMUDXHZ-UHFFFAOYSA-N 1 3 301.390 2.153 20 0 DEADHO CC(C)(C)OC(=O)N[C@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC001364926189 1145681662 /nfs/dbraw/zinc/68/16/62/1145681662.db2.gz UYUOMTZHUFVVSN-AJNGGQMLSA-N 1 3 309.454 2.259 20 0 DEADHO CC(C)(C)OC(=O)N[C@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC001364926189 1145681673 /nfs/dbraw/zinc/68/16/73/1145681673.db2.gz UYUOMTZHUFVVSN-AJNGGQMLSA-N 1 3 309.454 2.259 20 0 DEADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(O[C@H]4CCOC4)cc3)[C@@H]2C1 ZINC001364930290 1145687002 /nfs/dbraw/zinc/68/70/02/1145687002.db2.gz HMPOTECPNSEZAQ-KANFNMMFSA-N 1 3 316.445 2.284 20 0 DEADHO C[N@@H+]1C[C@@]23CN(CC[C@H]4COC(C)(C)O4)C[C@]2(C1)CCCC3 ZINC001365345433 1145853429 /nfs/dbraw/zinc/85/34/29/1145853429.db2.gz CNXPBTBWVCMBMD-RYQLBKOJSA-N 1 3 308.466 2.336 20 0 DEADHO C[N@H+]1C[C@@]23CN(CC[C@H]4COC(C)(C)O4)C[C@]2(C1)CCCC3 ZINC001365345433 1145853432 /nfs/dbraw/zinc/85/34/32/1145853432.db2.gz CNXPBTBWVCMBMD-RYQLBKOJSA-N 1 3 308.466 2.336 20 0 DEADHO Cn1ccnc1CNCC1CC[NH+](Cc2cccs2)CC1 ZINC001365356703 1145857366 /nfs/dbraw/zinc/85/73/66/1145857366.db2.gz CSRSPBZXTHUOPL-UHFFFAOYSA-N 1 3 304.463 2.483 20 0 DEADHO CCC[N@@H+]1CC[C@H](NC(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC001365418976 1145868050 /nfs/dbraw/zinc/86/80/50/1145868050.db2.gz RQGYOBLVSMCDTN-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO CCC[N@H+]1CC[C@H](NC(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC001365418976 1145868051 /nfs/dbraw/zinc/86/80/51/1145868051.db2.gz RQGYOBLVSMCDTN-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO CN1C[C@@H]2CC[C@H]([NH2+]C3CCN(C(=O)OC(C)(C)C)CC3)[C@H]2C1 ZINC001365503977 1145882739 /nfs/dbraw/zinc/88/27/39/1145882739.db2.gz LAFYANAJMRNVBW-BPUTZDHNSA-N 1 3 323.481 2.316 20 0 DEADHO CC[C@H](C)C[N@H+]1CC=C(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001284957742 1145992229 /nfs/dbraw/zinc/99/22/29/1145992229.db2.gz OMKLJFLICOXGGO-HOTGVXAUSA-N 1 3 307.482 2.123 20 0 DEADHO CC[C@H](C)C[N@@H+]1CC=C(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001284957742 1145992236 /nfs/dbraw/zinc/99/22/36/1145992236.db2.gz OMKLJFLICOXGGO-HOTGVXAUSA-N 1 3 307.482 2.123 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001365815065 1146018344 /nfs/dbraw/zinc/01/83/44/1146018344.db2.gz GMMBWIQTWRDUDB-HYVNUMGLSA-N 1 3 321.440 2.150 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccccc1C)C1CC1)N(C)C ZINC001366054801 1147029764 /nfs/dbraw/zinc/02/97/64/1147029764.db2.gz LQCUEWHUYQLIOE-ROUUACIJSA-N 1 3 317.477 2.320 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[N@H+](C)CC2CCC2)C1 ZINC001366071108 1147040577 /nfs/dbraw/zinc/04/05/77/1147040577.db2.gz SBSIFWYCKIQBTD-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[N@@H+](C)CC2CCC2)C1 ZINC001366071108 1147040584 /nfs/dbraw/zinc/04/05/84/1147040584.db2.gz SBSIFWYCKIQBTD-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[N@H+](C)CC2CCC2)C1 ZINC001366071106 1147040673 /nfs/dbraw/zinc/04/06/73/1147040673.db2.gz SBSIFWYCKIQBTD-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCC2)C1 ZINC001366071106 1147040677 /nfs/dbraw/zinc/04/06/77/1147040677.db2.gz SBSIFWYCKIQBTD-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@H+](CC2CC(C)C2)C1 ZINC001366187739 1147101905 /nfs/dbraw/zinc/10/19/05/1147101905.db2.gz LZLJXQRZLPRHIS-CGZBRXJRSA-N 1 3 309.498 2.203 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@@H+](CC2CC(C)C2)C1 ZINC001366187739 1147101908 /nfs/dbraw/zinc/10/19/08/1147101908.db2.gz LZLJXQRZLPRHIS-CGZBRXJRSA-N 1 3 309.498 2.203 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)c1cccc(F)c1 ZINC001366347360 1147226606 /nfs/dbraw/zinc/22/66/06/1147226606.db2.gz PMHGVZOQIJJTAU-ZIAGYGMSSA-N 1 3 309.429 2.323 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC001366584371 1147373314 /nfs/dbraw/zinc/37/33/14/1147373314.db2.gz MUJVHNNVAYKBQD-QGZVFWFLSA-N 1 3 305.466 2.129 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](C)Cc1ccc(C)cc1 ZINC001366595630 1147380787 /nfs/dbraw/zinc/38/07/87/1147380787.db2.gz LDTUMPAUWDPNAY-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](C)Cc1ccc(C)cc1 ZINC001366595630 1147380790 /nfs/dbraw/zinc/38/07/90/1147380790.db2.gz LDTUMPAUWDPNAY-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CCC1)N(CC)CC ZINC001366663651 1147455296 /nfs/dbraw/zinc/45/52/96/1147455296.db2.gz BJPAFWBSPGEDPZ-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CCC1)N(CC)CC ZINC001366663651 1147455318 /nfs/dbraw/zinc/45/53/18/1147455318.db2.gz BJPAFWBSPGEDPZ-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO NC(=O)[C@H]1CCCN(CCC[NH2+]Cc2ccccc2C2CC2)C1 ZINC001308255186 1147460431 /nfs/dbraw/zinc/46/04/31/1147460431.db2.gz CCLXJFPLWZWDRW-KRWDZBQOSA-N 1 3 315.461 2.241 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CC1)N1CCCC1 ZINC001366677719 1147474011 /nfs/dbraw/zinc/47/40/11/1147474011.db2.gz PNMSQOMCLPKQFO-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CC1)N1CCCC1 ZINC001366677719 1147474019 /nfs/dbraw/zinc/47/40/19/1147474019.db2.gz PNMSQOMCLPKQFO-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2CC[N@H+](Cc3ccsc3)C2)CCC1 ZINC001366705013 1147498063 /nfs/dbraw/zinc/49/80/63/1147498063.db2.gz STMJVVDGNMJCBW-CQSZACIVSA-N 1 3 321.490 2.171 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2CC[N@@H+](Cc3ccsc3)C2)CCC1 ZINC001366705013 1147498065 /nfs/dbraw/zinc/49/80/65/1147498065.db2.gz STMJVVDGNMJCBW-CQSZACIVSA-N 1 3 321.490 2.171 20 0 DEADHO C[C@@H](F)CC[NH2+]C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001317149091 1147589515 /nfs/dbraw/zinc/58/95/15/1147589515.db2.gz HBNXGNYDWOGVKR-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[C@H]1CC[N@H+](CC2CC2)C1 ZINC001366849279 1147593934 /nfs/dbraw/zinc/59/39/34/1147593934.db2.gz GDTLOTOFNRJVCU-DLBZAZTESA-N 1 3 307.482 2.099 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001366849279 1147593938 /nfs/dbraw/zinc/59/39/38/1147593938.db2.gz GDTLOTOFNRJVCU-DLBZAZTESA-N 1 3 307.482 2.099 20 0 DEADHO CC[C@H](CNC(=O)[C@@H]1CCCN1C(C)C)[NH2+]C/C=C/Cl ZINC001367097572 1147649547 /nfs/dbraw/zinc/64/95/47/1147649547.db2.gz DMGKMEHDUUIQQI-RNUUNTDPSA-N 1 3 301.862 2.096 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(F)c1)N(C)C ZINC001367273050 1147672694 /nfs/dbraw/zinc/67/26/94/1147672694.db2.gz ZACIORLDUXZWRT-WMLDXEAASA-N 1 3 323.456 2.254 20 0 DEADHO CC(C)CCC[NH+]1CC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001367333064 1147679409 /nfs/dbraw/zinc/67/94/09/1147679409.db2.gz DTGPILUWPBQHIR-UHFFFAOYSA-N 1 3 318.465 2.313 20 0 DEADHO CC(C)CCC[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001317322661 1147690575 /nfs/dbraw/zinc/69/05/75/1147690575.db2.gz MZPXIBAOTVUEMU-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1ccc(C)c(C[NH2+]CCN(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001317596258 1147730715 /nfs/dbraw/zinc/73/07/15/1147730715.db2.gz PUIWEYNACFJIMG-UHFFFAOYSA-N 1 3 317.477 2.336 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[NH2+]Cc1ccccc1C1CC1 ZINC001317663162 1147740654 /nfs/dbraw/zinc/74/06/54/1147740654.db2.gz CHLUECLKXNECMD-UHFFFAOYSA-N 1 3 317.477 2.452 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)CC1CC(C)(C)C1)N(C)C ZINC001367834952 1147756304 /nfs/dbraw/zinc/75/63/04/1147756304.db2.gz NGGSNPAYECBPDE-GOEBONIOSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CC1CC(C)(C)C1)N(C)C ZINC001367834952 1147756306 /nfs/dbraw/zinc/75/63/06/1147756306.db2.gz NGGSNPAYECBPDE-GOEBONIOSA-N 1 3 311.514 2.445 20 0 DEADHO C[C@@H](C[N@H+](C)CCc1cccs1)NC(=O)CN1CC[C@H](C)C1 ZINC001367834646 1147756419 /nfs/dbraw/zinc/75/64/19/1147756419.db2.gz NRCMFDTZKCYJBF-GJZGRUSLSA-N 1 3 323.506 2.069 20 0 DEADHO C[C@@H](C[N@@H+](C)CCc1cccs1)NC(=O)CN1CC[C@H](C)C1 ZINC001367834646 1147756421 /nfs/dbraw/zinc/75/64/21/1147756421.db2.gz NRCMFDTZKCYJBF-GJZGRUSLSA-N 1 3 323.506 2.069 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCC2CC2)[C@H](CC)C1 ZINC001367942080 1147793664 /nfs/dbraw/zinc/79/36/64/1147793664.db2.gz OTYIHWCTRISYKB-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC=C(C)C)C2 ZINC001325349085 1147894885 /nfs/dbraw/zinc/89/48/85/1147894885.db2.gz BJUCXYAPVCIYKI-ULQDDVLXSA-N 1 3 307.482 2.264 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC=C(C)C)C2 ZINC001325349085 1147894886 /nfs/dbraw/zinc/89/48/86/1147894886.db2.gz BJUCXYAPVCIYKI-ULQDDVLXSA-N 1 3 307.482 2.264 20 0 DEADHO C[C@H](F)CC[NH2+]CC[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001326286887 1148069315 /nfs/dbraw/zinc/06/93/15/1148069315.db2.gz KJGBMWICMSXZOM-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO CCC[C@@](C)([NH3+])C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC001326664616 1148192369 /nfs/dbraw/zinc/19/23/69/1148192369.db2.gz SPFFAEDTDQBLDB-GOSISDBHSA-N 1 3 318.465 2.285 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC2CC2)C1 ZINC001368192799 1148317549 /nfs/dbraw/zinc/31/75/49/1148317549.db2.gz FFHAHKHIMCQEDC-MJGOQNOKSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@]1(C)CCC[N@@H+](CC[C@@H](C)F)C1 ZINC001368234436 1148348019 /nfs/dbraw/zinc/34/80/19/1148348019.db2.gz XVXMDGWSLIWKLT-CXAGYDPISA-N 1 3 324.444 2.227 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@]1(C)CCC[N@H+](CC[C@@H](C)F)C1 ZINC001368234436 1148348029 /nfs/dbraw/zinc/34/80/29/1148348029.db2.gz XVXMDGWSLIWKLT-CXAGYDPISA-N 1 3 324.444 2.227 20 0 DEADHO CC[C@@H](C)N[C@@H](CNC(=O)NC1(C)CC[NH2+]CC1)c1ccco1 ZINC000418166763 529375254 /nfs/dbraw/zinc/37/52/54/529375254.db2.gz LSJKNDSNHNHPCH-KGLIPLIRSA-N 1 3 322.453 2.150 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(Cl)c1F ZINC000152680056 282151124 /nfs/dbraw/zinc/15/11/24/282151124.db2.gz SHOCAGZFEGPGPH-UHFFFAOYSA-N 1 3 315.820 2.045 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000418184393 529449826 /nfs/dbraw/zinc/44/98/26/529449826.db2.gz PWLCMRYOSYTKOK-IJEWVQPXSA-N 1 3 306.454 2.023 20 0 DEADHO CC[C@H]([NH2+]C[C@@H](CC(C)C)N1CCOCC1)[C@H]1CCCCN1 ZINC000422801372 529611567 /nfs/dbraw/zinc/61/15/67/529611567.db2.gz FIAFKRDXKAGGQU-FGTMMUONSA-N 1 3 311.514 2.244 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000417749211 529614639 /nfs/dbraw/zinc/61/46/39/529614639.db2.gz JAYKAFGKMSGLHS-FRFSOERESA-N 1 3 318.465 2.031 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000417749211 529614640 /nfs/dbraw/zinc/61/46/40/529614640.db2.gz JAYKAFGKMSGLHS-FRFSOERESA-N 1 3 318.465 2.031 20 0 DEADHO C[C@H]1CN(CC2CC[NH+](CC3=CCCOC3)CC2)C[C@H](C)O1 ZINC000092587473 185327374 /nfs/dbraw/zinc/32/73/74/185327374.db2.gz DCQWTNWJNHASNY-HOTGVXAUSA-N 1 3 308.466 2.154 20 0 DEADHO C[C@@H](C(=O)N(CC[NH3+])Cc1ccccc1)N1CCCCCC1 ZINC000184170130 282246078 /nfs/dbraw/zinc/24/60/78/282246078.db2.gz HXXOWWKVTFDCOD-INIZCTEOSA-N 1 3 303.450 2.238 20 0 DEADHO CCC(CC)[C@H](CN[C@@H](C1CC1)[C@@H]1CNCCO1)[NH+]1CCCC1 ZINC000422818205 282276904 /nfs/dbraw/zinc/27/69/04/282276904.db2.gz JTNVMSIFSAHWQQ-FHWLQOOXSA-N 1 3 323.525 2.244 20 0 DEADHO CCC(CC)[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1)N1CCCC1 ZINC000422818205 282276906 /nfs/dbraw/zinc/27/69/06/282276906.db2.gz JTNVMSIFSAHWQQ-FHWLQOOXSA-N 1 3 323.525 2.244 20 0 DEADHO CN1CCN(CC[NH2+]Cc2cc3c(cccc3F)[nH]2)CC1(C)C ZINC000441370497 529772434 /nfs/dbraw/zinc/77/24/34/529772434.db2.gz HWMVCUONSLPMFV-UHFFFAOYSA-N 1 3 318.440 2.423 20 0 DEADHO CN(CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)CC(F)(F)F ZINC000422713936 529917868 /nfs/dbraw/zinc/91/78/68/529917868.db2.gz QEZHPRFCMNMARO-MELADBBJSA-N 1 3 307.404 2.381 20 0 DEADHO C[NH2+]CC1CCN([C@H](C)C(=O)N(C)Cc2cccc(F)c2)CC1 ZINC000430940561 529959132 /nfs/dbraw/zinc/95/91/32/529959132.db2.gz PRZZBJOMVPTNGQ-CQSZACIVSA-N 1 3 321.440 2.104 20 0 DEADHO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000418178903 529990160 /nfs/dbraw/zinc/99/01/60/529990160.db2.gz JGFWCIAEVSJBKF-HYVNUMGLSA-N 1 3 318.465 2.071 20 0 DEADHO C[C@@H]1CCCN(CCNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000193841346 282359216 /nfs/dbraw/zinc/35/92/16/282359216.db2.gz WKPOVAYONXRYMD-OAHLLOKOSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H](NC(=O)N1CC[C@@](C)(C[NH3+])C1)[C@@H](c1ccccc1)N(C)C ZINC000418192808 299121659 /nfs/dbraw/zinc/12/16/59/299121659.db2.gz YVGNTQZDTXPTIZ-ZVZYQTTQSA-N 1 3 318.465 2.058 20 0 DEADHO CC(=O)Nc1ccc([C@H](C)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000181988113 199371654 /nfs/dbraw/zinc/37/16/54/199371654.db2.gz OPKCJAXYFKIQNK-AWEZNQCLSA-N 1 3 319.449 2.142 20 0 DEADHO CN(C)CCOc1cccc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166206150 539609334 /nfs/dbraw/zinc/60/93/34/539609334.db2.gz LJVZSXVGANIYST-QZTJIDSGSA-N 1 3 317.477 2.343 20 0 DEADHO CN(C)CCOc1cccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166206150 539609336 /nfs/dbraw/zinc/60/93/36/539609336.db2.gz LJVZSXVGANIYST-QZTJIDSGSA-N 1 3 317.477 2.343 20 0 DEADHO Cc1ccc(NC(=O)CC2([NH3+])CCC2)c(OCCN(C)C)c1 ZINC000237182723 539743854 /nfs/dbraw/zinc/74/38/54/539743854.db2.gz ZCBWAYBFFIMIPT-UHFFFAOYSA-N 1 3 305.422 2.145 20 0 DEADHO C[C@@H](O)C[C@@H]1CCC[N@H+]1[C@@H](C)CCN1CCC[C@H]1C[C@H](C)O ZINC000246748874 539766255 /nfs/dbraw/zinc/76/62/55/539766255.db2.gz PZSBUVMVELBCQC-JCECYMMASA-N 1 3 312.498 2.236 20 0 DEADHO C[C@@H](O)C[C@@H]1CCC[N@@H+]1[C@@H](C)CCN1CCC[C@H]1C[C@H](C)O ZINC000246748874 539766258 /nfs/dbraw/zinc/76/62/58/539766258.db2.gz PZSBUVMVELBCQC-JCECYMMASA-N 1 3 312.498 2.236 20 0 DEADHO C[C@@H](O)C[C@@H]1CCCN1[C@@H](C)CC[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000246748874 539766261 /nfs/dbraw/zinc/76/62/61/539766261.db2.gz PZSBUVMVELBCQC-JCECYMMASA-N 1 3 312.498 2.236 20 0 DEADHO C[C@@H](O)C[C@@H]1CCCN1[C@@H](C)CC[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000246748874 539766264 /nfs/dbraw/zinc/76/62/64/539766264.db2.gz PZSBUVMVELBCQC-JCECYMMASA-N 1 3 312.498 2.236 20 0 DEADHO CCOC[C@@H]1CCN(C/C=C\C[N@@H+]2CC[C@H](COCC)C2)C1 ZINC000255170465 539786131 /nfs/dbraw/zinc/78/61/31/539786131.db2.gz YHAJBTKRRMYPQU-SPCWZHTESA-N 1 3 310.482 2.259 20 0 DEADHO CCOC[C@@H]1CCN(C/C=C\C[N@H+]2CC[C@H](COCC)C2)C1 ZINC000255170465 539786136 /nfs/dbraw/zinc/78/61/36/539786136.db2.gz YHAJBTKRRMYPQU-SPCWZHTESA-N 1 3 310.482 2.259 20 0 DEADHO CCOC[C@@H]1CC[N@@H+](C/C=C\CN2CC[C@H](COCC)C2)C1 ZINC000255170465 539786139 /nfs/dbraw/zinc/78/61/39/539786139.db2.gz YHAJBTKRRMYPQU-SPCWZHTESA-N 1 3 310.482 2.259 20 0 DEADHO CCOC[C@@H]1CC[N@H+](C/C=C\CN2CC[C@H](COCC)C2)C1 ZINC000255170465 539786142 /nfs/dbraw/zinc/78/61/42/539786142.db2.gz YHAJBTKRRMYPQU-SPCWZHTESA-N 1 3 310.482 2.259 20 0 DEADHO NC[C@H](NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1ccc2ccccc2c1 ZINC000262910588 186323884 /nfs/dbraw/zinc/32/38/84/186323884.db2.gz YLYAGBKORBWGAH-KSZLIROESA-N 1 3 311.429 2.473 20 0 DEADHO CO[C@H]1CCN(Cc2cccc(C[N@@H+]3CC[C@H](OC)C3)c2)C1 ZINC000267820921 186367226 /nfs/dbraw/zinc/36/72/26/186367226.db2.gz ORDSXYLMRCBFFB-ROUUACIJSA-N 1 3 304.434 2.128 20 0 DEADHO CO[C@H]1CCN(Cc2cccc(C[N@H+]3CC[C@H](OC)C3)c2)C1 ZINC000267820921 186367228 /nfs/dbraw/zinc/36/72/28/186367228.db2.gz ORDSXYLMRCBFFB-ROUUACIJSA-N 1 3 304.434 2.128 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc2c1CCNC2 ZINC000322274591 539901893 /nfs/dbraw/zinc/90/18/93/539901893.db2.gz LPPUQLVSVXHZNY-HNNXBMFYSA-N 1 3 315.461 2.327 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cccc2c1CCNC2 ZINC000322274591 539901897 /nfs/dbraw/zinc/90/18/97/539901897.db2.gz LPPUQLVSVXHZNY-HNNXBMFYSA-N 1 3 315.461 2.327 20 0 DEADHO C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H](N)c1ccccc1 ZINC000322615565 539902567 /nfs/dbraw/zinc/90/25/67/539902567.db2.gz PXPMPZJNJGSOFB-DNUGQZQRSA-N 1 3 301.434 2.064 20 0 DEADHO C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H](N)c1ccccc1 ZINC000322615565 539902570 /nfs/dbraw/zinc/90/25/70/539902570.db2.gz PXPMPZJNJGSOFB-DNUGQZQRSA-N 1 3 301.434 2.064 20 0 DEADHO CN1CCCC[C@H]1CC[N@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000173957262 198273285 /nfs/dbraw/zinc/27/32/85/198273285.db2.gz STWYRDCPDZUZQK-RBUKOAKNSA-N 1 3 320.477 2.370 20 0 DEADHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000173957262 198273286 /nfs/dbraw/zinc/27/32/86/198273286.db2.gz STWYRDCPDZUZQK-RBUKOAKNSA-N 1 3 320.477 2.370 20 0 DEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2CC[C@@H]2C2CC2)cc1 ZINC000348388648 540021967 /nfs/dbraw/zinc/02/19/67/540021967.db2.gz KLKDPAXOUPWPME-MSOLQXFVSA-N 1 3 315.461 2.256 20 0 DEADHO C[C@@H](C(=O)N1CCC(C)CC1)N1CCC(CC[NH+](C)C)CC1 ZINC000056523657 354536178 /nfs/dbraw/zinc/53/61/78/354536178.db2.gz PHPAOYOSGOUCAI-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CN1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000057139579 354558169 /nfs/dbraw/zinc/55/81/69/354558169.db2.gz GXAZUBNPSQNUJN-KRWDZBQOSA-N 1 3 315.461 2.109 20 0 DEADHO CN1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000057139579 354558171 /nfs/dbraw/zinc/55/81/71/354558171.db2.gz GXAZUBNPSQNUJN-KRWDZBQOSA-N 1 3 315.461 2.109 20 0 DEADHO CCN(CC)CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063702437 354652507 /nfs/dbraw/zinc/65/25/07/354652507.db2.gz CNZRCVQTXULYAJ-SFHVURJKSA-N 1 3 317.477 2.357 20 0 DEADHO CCN(CC)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000063702437 354652508 /nfs/dbraw/zinc/65/25/08/354652508.db2.gz CNZRCVQTXULYAJ-SFHVURJKSA-N 1 3 317.477 2.357 20 0 DEADHO CC(C)N1CCCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000069722776 354875226 /nfs/dbraw/zinc/87/52/26/354875226.db2.gz ZXWJFVQCISNGKY-UHFFFAOYSA-N 1 3 324.513 2.421 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000352089093 540060291 /nfs/dbraw/zinc/06/02/91/540060291.db2.gz HFBPEAMQAQFDSW-MRXNPFEDSA-N 1 3 312.502 2.234 20 0 DEADHO C[C@H](C(=O)N1CCC[C@H]1C[NH+]1CCCC1)N1CCCCCC1 ZINC000074249867 355016459 /nfs/dbraw/zinc/01/64/59/355016459.db2.gz KOXNFTUFOOVAGW-SJORKVTESA-N 1 3 307.482 2.338 20 0 DEADHO C[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)N1CCCCCC1 ZINC000074317293 355021290 /nfs/dbraw/zinc/02/12/90/355021290.db2.gz HZPIVTFXRHNLER-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)N1CCCCCC1 ZINC000074317293 355021292 /nfs/dbraw/zinc/02/12/92/355021292.db2.gz HZPIVTFXRHNLER-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO CCCCOc1ccc(C[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000077450428 355206187 /nfs/dbraw/zinc/20/61/87/355206187.db2.gz JCWDEIMGEDUWDO-UHFFFAOYSA-N 1 3 306.450 2.412 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000078501012 355265194 /nfs/dbraw/zinc/26/51/94/355265194.db2.gz GVYXVSBWAILNBX-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO CN(c1ccccc1C[N@@H+]1CC[C@H](CO)C1)C1CCN(C)CC1 ZINC000092764120 355650177 /nfs/dbraw/zinc/65/01/77/355650177.db2.gz ITGGSHVPKRNFQU-INIZCTEOSA-N 1 3 317.477 2.031 20 0 DEADHO CN(c1ccccc1C[N@H+]1CC[C@H](CO)C1)C1CCN(C)CC1 ZINC000092764120 355650179 /nfs/dbraw/zinc/65/01/79/355650179.db2.gz ITGGSHVPKRNFQU-INIZCTEOSA-N 1 3 317.477 2.031 20 0 DEADHO CN1CCN(CC[NH2+]Cc2scnc2C2CC2)CC1(C)C ZINC000441352617 540182422 /nfs/dbraw/zinc/18/24/22/540182422.db2.gz FFOTXLURVFZYNT-UHFFFAOYSA-N 1 3 308.495 2.136 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+](C)C[C@@H]2CCOC2)CC1 ZINC000093840198 355688621 /nfs/dbraw/zinc/68/86/21/355688621.db2.gz WGHHMZOLFZRWRC-KRWDZBQOSA-N 1 3 317.477 2.297 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+](C)C[C@@H]2CCOC2)CC1 ZINC000093840198 355688626 /nfs/dbraw/zinc/68/86/26/355688626.db2.gz WGHHMZOLFZRWRC-KRWDZBQOSA-N 1 3 317.477 2.297 20 0 DEADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]Cc2scnc2C2CC2)CC1 ZINC000487268708 540211976 /nfs/dbraw/zinc/21/19/76/540211976.db2.gz MCVOYSOQRVSZDL-CABCVRRESA-N 1 3 321.490 2.488 20 0 DEADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000370763330 283131314 /nfs/dbraw/zinc/13/13/14/283131314.db2.gz IYAWOQDRPKELGR-JHNDHUHGSA-N 1 3 305.466 2.040 20 0 DEADHO CC(C)Cn1cc(CN(C)CC2CC[NH+](C[C@H](C)O)CC2)cn1 ZINC000183278705 356165412 /nfs/dbraw/zinc/16/54/12/356165412.db2.gz UPJJSKMEOYVLAF-INIZCTEOSA-N 1 3 322.497 2.064 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@@H](c2nccn2C)C2CC2)C[C@@H](C)O1 ZINC000183330314 356168186 /nfs/dbraw/zinc/16/81/86/356168186.db2.gz DSIRPGTWKUGUNZ-BFYDXBDKSA-N 1 3 320.481 2.350 20 0 DEADHO CC(C)[C@@H](C(=O)Nc1ccc(OCCN(C)C)cc1)[C@@H](C)[NH3+] ZINC000399674824 283153662 /nfs/dbraw/zinc/15/36/62/283153662.db2.gz TWOJQYSKCXHVLU-CZUORRHYSA-N 1 3 307.438 2.185 20 0 DEADHO CN(CCCNC(=O)CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000302922299 356392301 /nfs/dbraw/zinc/39/23/01/356392301.db2.gz URIYBKZZGNFCBB-QGZVFWFLSA-N 1 3 317.477 2.405 20 0 DEADHO C[C@@H](C(=O)NCC[NH+]1CCCCCC1)[C@H](N)c1ccccc1 ZINC000316533757 356430032 /nfs/dbraw/zinc/43/00/32/356430032.db2.gz KUHQSESDMCHJRT-WBVHZDCISA-N 1 3 303.450 2.315 20 0 DEADHO CC[NH+]1CCC(CNCc2ccc(C(=O)OC)c(F)c2)CC1 ZINC000318595163 356437724 /nfs/dbraw/zinc/43/77/24/356437724.db2.gz QNTYRSZNIBTTPD-UHFFFAOYSA-N 1 3 308.397 2.434 20 0 DEADHO CN(C)CCOc1cccc(-c2noc([C@@H]3CC[N@H+](C)C3)n2)c1 ZINC000350064762 356502606 /nfs/dbraw/zinc/50/26/06/356502606.db2.gz YZFBCQLXPNBVCT-CQSZACIVSA-N 1 3 316.405 2.096 20 0 DEADHO CN(C)CCOc1cccc(-c2noc([C@@H]3CC[N@@H+](C)C3)n2)c1 ZINC000350064762 356502610 /nfs/dbraw/zinc/50/26/10/356502610.db2.gz YZFBCQLXPNBVCT-CQSZACIVSA-N 1 3 316.405 2.096 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1)N(C)C ZINC000618353818 363469491 /nfs/dbraw/zinc/46/94/91/363469491.db2.gz OAGRDYOHYIVNJY-MSOLQXFVSA-N 1 3 317.477 2.102 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1)N(C)C ZINC000618353818 363469493 /nfs/dbraw/zinc/46/94/93/363469493.db2.gz OAGRDYOHYIVNJY-MSOLQXFVSA-N 1 3 317.477 2.102 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000618354511 363471369 /nfs/dbraw/zinc/47/13/69/363471369.db2.gz BWUSYIHAZDXMKH-SFHVURJKSA-N 1 3 317.477 2.104 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000618354511 363471371 /nfs/dbraw/zinc/47/13/71/363471371.db2.gz BWUSYIHAZDXMKH-SFHVURJKSA-N 1 3 317.477 2.104 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)[C@@H](N)C(C)C)Cc1ccccc1 ZINC000236879101 202049265 /nfs/dbraw/zinc/04/92/65/202049265.db2.gz IUVVBFLZYUVIBX-IRXDYDNUSA-N 1 3 305.466 2.039 20 0 DEADHO C[C@@H]1CCN[C@H](C)[C@H]1[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000420354747 283192620 /nfs/dbraw/zinc/19/26/20/283192620.db2.gz BLQHNAYJODGZNC-HSMVNMDESA-N 1 3 319.840 2.397 20 0 DEADHO CCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000236956322 202093590 /nfs/dbraw/zinc/09/35/90/202093590.db2.gz RTEWRVGYLOQOMD-DLBZAZTESA-N 1 3 303.450 2.285 20 0 DEADHO Cc1ccc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)c(CN(C)C)c1 ZINC000237037103 202130935 /nfs/dbraw/zinc/13/09/35/202130935.db2.gz ZAGQKYBBPLANLU-HNNXBMFYSA-N 1 3 301.434 2.385 20 0 DEADHO CC[NH2+]CC1CCN(C(=O)[C@@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000237019578 202124276 /nfs/dbraw/zinc/12/42/76/202124276.db2.gz STJUWJHHCNPYTN-WMLDXEAASA-N 1 3 303.450 2.171 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C[NH2+]CC1CC1 ZINC000382723506 356677651 /nfs/dbraw/zinc/67/76/51/356677651.db2.gz PJNNYYKLRMGJBG-MRXNPFEDSA-N 1 3 315.461 2.109 20 0 DEADHO CC(C)[NH2+]CCC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000382729107 356678107 /nfs/dbraw/zinc/67/81/07/356678107.db2.gz YHIUXGFXOLTIIJ-KRWDZBQOSA-N 1 3 317.477 2.498 20 0 DEADHO C[NH2+]CCCC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000237117138 202157123 /nfs/dbraw/zinc/15/71/23/202157123.db2.gz CNSVXZAVDMTKRA-QGZVFWFLSA-N 1 3 303.450 2.109 20 0 DEADHO C[C@H](CNC(=O)CC[C@H]1CCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000390755622 356710035 /nfs/dbraw/zinc/71/00/35/356710035.db2.gz VSMTWPBBGWFADY-IAGOWNOFSA-N 1 3 317.477 2.403 20 0 DEADHO CN(C)[C@H](CNC(=O)CCC1CC[NH2+]CC1)c1ccccc1 ZINC000237189934 202183202 /nfs/dbraw/zinc/18/32/02/202183202.db2.gz JXCYFJYOFKWUPQ-QGZVFWFLSA-N 1 3 303.450 2.185 20 0 DEADHO C[C@@H](NCCN1CC[NH2+]CC1)c1sccc1Br ZINC000578979001 356900556 /nfs/dbraw/zinc/90/05/56/356900556.db2.gz SORGDCGBJGOLPE-SNVBAGLBSA-N 1 3 318.284 2.066 20 0 DEADHO [NH3+]C[C@H]1CN(Cc2ccnc3ccccc23)CC12CCOCC2 ZINC000579717642 357020246 /nfs/dbraw/zinc/02/02/46/357020246.db2.gz FYGYQNQGMSIJKY-INIZCTEOSA-N 1 3 311.429 2.422 20 0 DEADHO Cc1ccc(CN(CCN(C)C)C(=O)NCCC[NH2+]C(C)C)o1 ZINC000584709858 357294750 /nfs/dbraw/zinc/29/47/50/357294750.db2.gz NOSIVQVSFLMYPY-UHFFFAOYSA-N 1 3 324.469 2.049 20 0 DEADHO CN(C)CCN(Cc1ccccc1F)C(=O)CCCC[NH+](C)C ZINC000591101303 357676175 /nfs/dbraw/zinc/67/61/75/357676175.db2.gz QSKJIRYAGKRRPE-UHFFFAOYSA-N 1 3 323.456 2.448 20 0 DEADHO CCCc1ccc(C[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1 ZINC000591718843 357753429 /nfs/dbraw/zinc/75/34/29/357753429.db2.gz GBDKRXXACMJTEJ-SFHVURJKSA-N 1 3 317.477 2.316 20 0 DEADHO C[C@@H](CNC(=O)NC(C)(C)CC[NH+]1CCCCCC1)N(C)C ZINC000459038821 295955986 /nfs/dbraw/zinc/95/59/86/295955986.db2.gz INCUVOOHSICJBK-HNNXBMFYSA-N 1 3 312.502 2.280 20 0 DEADHO CC1(C)C[C@@]1([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000663515029 540341006 /nfs/dbraw/zinc/34/10/06/540341006.db2.gz YJBZRZKYKHROFX-DNVCBOLYSA-N 1 3 315.461 2.099 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)c2cccc3c2CC[NH2+]C3)CC1 ZINC000662832547 540337316 /nfs/dbraw/zinc/33/73/16/540337316.db2.gz UDMVKUYZCYXQPM-UHFFFAOYSA-N 1 3 315.461 2.279 20 0 DEADHO C[C@H](CCNC(=O)NCCCN(C)Cc1ccccc1)[NH+](C)C ZINC000663507490 540338931 /nfs/dbraw/zinc/33/89/31/540338931.db2.gz XOOPNJBXYAZVTF-MRXNPFEDSA-N 1 3 320.481 2.148 20 0 DEADHO CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1CCN(CCC)C1 ZINC000666923223 540362702 /nfs/dbraw/zinc/36/27/02/540362702.db2.gz GVFGTANKCHMHNR-INIZCTEOSA-N 1 3 312.502 2.234 20 0 DEADHO CC(C)(C)OC(=O)N1CC[C@H]2CN(C[C@@]3(C)CC[NH2+]C3)C[C@@H]2C1 ZINC000496083180 283360856 /nfs/dbraw/zinc/36/08/56/283360856.db2.gz HBVNIVGKAFKVDR-DAYGRLMNSA-N 1 3 323.481 2.175 20 0 DEADHO C[NH+](C)CCC1CCN(Cc2ccnn2-c2ccncc2)CC1 ZINC000667543947 540471301 /nfs/dbraw/zinc/47/13/01/540471301.db2.gz QPHHGUAXTVGNGW-UHFFFAOYSA-N 1 3 313.449 2.431 20 0 DEADHO COC(=O)CCCCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000599392455 359487463 /nfs/dbraw/zinc/48/74/63/359487463.db2.gz SROPTEPRWDSMAF-HDICACEKSA-N 1 3 316.445 2.394 20 0 DEADHO COC(=O)CCCCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000599392455 359487465 /nfs/dbraw/zinc/48/74/65/359487465.db2.gz SROPTEPRWDSMAF-HDICACEKSA-N 1 3 316.445 2.394 20 0 DEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000667934025 540552025 /nfs/dbraw/zinc/55/20/25/540552025.db2.gz ZXJONUBCUZVBFN-FGTMMUONSA-N 1 3 315.461 2.256 20 0 DEADHO C[N@@H+]1C[C@@H](CN[C@H]2CO[C@H](C3CC3)C2)[C@H](c2ccccc2)C1 ZINC000668276500 540633924 /nfs/dbraw/zinc/63/39/24/540633924.db2.gz OPQWFNOCJLMCSI-YRXWBPOGSA-N 1 3 300.446 2.489 20 0 DEADHO C[N@H+]1C[C@@H](CN[C@H]2CO[C@H](C3CC3)C2)[C@H](c2ccccc2)C1 ZINC000668276500 540633928 /nfs/dbraw/zinc/63/39/28/540633928.db2.gz OPQWFNOCJLMCSI-YRXWBPOGSA-N 1 3 300.446 2.489 20 0 DEADHO C[C@H](C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)[C@@H](N)c1ccccc1 ZINC000237697931 202331979 /nfs/dbraw/zinc/33/19/79/202331979.db2.gz SCSLRVBMDKINTQ-NXNVCVFFSA-N 1 3 301.434 2.018 20 0 DEADHO C[C@H](C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)[C@@H](N)c1ccccc1 ZINC000237697931 202331982 /nfs/dbraw/zinc/33/19/82/202331982.db2.gz SCSLRVBMDKINTQ-NXNVCVFFSA-N 1 3 301.434 2.018 20 0 DEADHO Cc1ccc([C@H](CNC(=O)C2CC[NH2+]CC2)N2CCCC2)cc1 ZINC000237915803 202389754 /nfs/dbraw/zinc/38/97/54/202389754.db2.gz OTGZOWHKZRXKKV-SFHVURJKSA-N 1 3 315.461 2.248 20 0 DEADHO CSC[C@H](O)C[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000601965868 360212118 /nfs/dbraw/zinc/21/21/18/360212118.db2.gz AWFCKFUSHAQFEZ-HYVNUMGLSA-N 1 3 308.491 2.068 20 0 DEADHO CSC[C@H](O)CNC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000601965868 360212124 /nfs/dbraw/zinc/21/21/24/360212124.db2.gz AWFCKFUSHAQFEZ-HYVNUMGLSA-N 1 3 308.491 2.068 20 0 DEADHO CSC[C@H](O)CNC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000601965868 360212129 /nfs/dbraw/zinc/21/21/29/360212129.db2.gz AWFCKFUSHAQFEZ-HYVNUMGLSA-N 1 3 308.491 2.068 20 0 DEADHO CCOC(=O)c1ccc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)[nH]1 ZINC000602664385 360484490 /nfs/dbraw/zinc/48/44/90/360484490.db2.gz WDYWQNAOMGYGEE-HNNXBMFYSA-N 1 3 319.449 2.355 20 0 DEADHO C[C@@H](O)C1(NCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000668697270 540712555 /nfs/dbraw/zinc/71/25/55/540712555.db2.gz YZTMUZCMEMWVRY-OAHLLOKOSA-N 1 3 304.434 2.164 20 0 DEADHO CN(C)CCN1CCC([NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281241573 216178935 /nfs/dbraw/zinc/17/89/35/216178935.db2.gz NGWRMIGZANTNAL-GOSISDBHSA-N 1 3 320.456 2.287 20 0 DEADHO CCOC(=O)CCCC[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000602844323 360586074 /nfs/dbraw/zinc/58/60/74/360586074.db2.gz ANHIJAYBVRWONJ-UHFFFAOYSA-N 1 3 305.422 2.327 20 0 DEADHO CCOC(=O)CCCC[N@H+]1CCCN(c2ccncc2)CC1 ZINC000602844323 360586076 /nfs/dbraw/zinc/58/60/76/360586076.db2.gz ANHIJAYBVRWONJ-UHFFFAOYSA-N 1 3 305.422 2.327 20 0 DEADHO CN(CCCN(C)Cc1ccnn1C1CCCC1)CC[NH+](C)C ZINC000449329185 240363998 /nfs/dbraw/zinc/36/39/98/240363998.db2.gz MZNCTHZXYCFJTH-UHFFFAOYSA-N 1 3 321.513 2.314 20 0 DEADHO CC[C@@H]1CN(C(=O)NCCN2CCCC[C@@H]2CC)CC[C@@H]1[NH3+] ZINC000669489827 540843256 /nfs/dbraw/zinc/84/32/56/540843256.db2.gz LGJDZUSSMNFOCW-PMPSAXMXSA-N 1 3 310.486 2.020 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000669529760 540854238 /nfs/dbraw/zinc/85/42/38/540854238.db2.gz BERQPSFTFMHBIZ-QGZVFWFLSA-N 1 3 318.465 2.031 20 0 DEADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(C(=O)C3CCCC3)C2)[C@H]2CCC[C@H]21 ZINC000671750887 541007292 /nfs/dbraw/zinc/00/72/92/541007292.db2.gz NVYCBLABHHPFFA-ZJPYXAASSA-N 1 3 319.493 2.240 20 0 DEADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(C(=O)C3CCCC3)C2)[C@H]2CCC[C@H]21 ZINC000671750887 541007293 /nfs/dbraw/zinc/00/72/93/541007293.db2.gz NVYCBLABHHPFFA-ZJPYXAASSA-N 1 3 319.493 2.240 20 0 DEADHO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000193477433 201059760 /nfs/dbraw/zinc/05/97/60/201059760.db2.gz VNSUEVFZLBIAFC-RHSMWYFYSA-N 1 3 301.434 2.153 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000672884558 541071250 /nfs/dbraw/zinc/07/12/50/541071250.db2.gz NFMVZMLAXPRBNI-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO Cn1c(Cl)cnc1CNCC1CCN(c2cc[nH+]cc2)CC1 ZINC000281579968 216397631 /nfs/dbraw/zinc/39/76/31/216397631.db2.gz DFMULNQDFGKKLJ-UHFFFAOYSA-N 1 3 319.840 2.475 20 0 DEADHO C[C@@H](NC(=O)N1CC[C@H]([NH3+])[C@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC000418179862 296070045 /nfs/dbraw/zinc/07/00/45/296070045.db2.gz JXZULVDBLYLKJS-TXCZRRACSA-N 1 3 318.465 2.057 20 0 DEADHO CN(C)CC[N@H+](C)CCCNCc1cccc(Cl)c1F ZINC000623087715 364879721 /nfs/dbraw/zinc/87/97/21/364879721.db2.gz FEZKUJRMSJLEDI-UHFFFAOYSA-N 1 3 301.837 2.452 20 0 DEADHO CN(C)CC[N@@H+](C)CCCNCc1cccc(Cl)c1F ZINC000623087715 364879727 /nfs/dbraw/zinc/87/97/27/364879727.db2.gz FEZKUJRMSJLEDI-UHFFFAOYSA-N 1 3 301.837 2.452 20 0 DEADHO C[C@@H](NC1CC1)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000449110803 240069513 /nfs/dbraw/zinc/06/95/13/240069513.db2.gz GTXZOKBKSPZXKJ-CVEARBPZSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]([NH2+]C1CC1)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000449135443 240098007 /nfs/dbraw/zinc/09/80/07/240098007.db2.gz POBDPFOSJAPPML-ZENOOKHLSA-N 1 3 321.490 2.388 20 0 DEADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@@H](O)C(F)F)CC1 ZINC000449172893 240156047 /nfs/dbraw/zinc/15/60/47/240156047.db2.gz NAAFYBBZFRTKFW-CZUORRHYSA-N 1 3 312.404 2.298 20 0 DEADHO c1[nH]nc2cccc(CNCC3([NH+]4CCCC4)CCOCC3)c12 ZINC000623406098 365017108 /nfs/dbraw/zinc/01/71/08/365017108.db2.gz KHOWJZSLQURAAI-UHFFFAOYSA-N 1 3 314.433 2.298 20 0 DEADHO Cn1cc(C[NH2+]C[C@@H]2CCCCN(C)C2)c(-c2cccnc2)n1 ZINC000623656537 365119890 /nfs/dbraw/zinc/11/98/90/365119890.db2.gz WJUGVIIZQUHKKN-HNNXBMFYSA-N 1 3 313.449 2.304 20 0 DEADHO O[C@H](CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1)COCc1ccccc1 ZINC000623828410 365186931 /nfs/dbraw/zinc/18/69/31/365186931.db2.gz XWYRCWYSNHQAOU-GBESFXJTSA-N 1 3 318.461 2.171 20 0 DEADHO O[C@H](CCN[C@H]1CC[N@H+]2CCC[C@H]2C1)COCc1ccccc1 ZINC000623828410 365186937 /nfs/dbraw/zinc/18/69/37/365186937.db2.gz XWYRCWYSNHQAOU-GBESFXJTSA-N 1 3 318.461 2.171 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc[nH]c2=O)[C@H](C)C1 ZINC000624258191 365358031 /nfs/dbraw/zinc/35/80/31/365358031.db2.gz BSVHBJCLUYPRIO-ZBFHGGJFSA-N 1 3 307.438 2.014 20 0 DEADHO CN1CCC[C@H]1CNC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000629454139 367203595 /nfs/dbraw/zinc/20/35/95/367203595.db2.gz WFTUFPCFDNUNHH-ROUUACIJSA-N 1 3 315.461 2.076 20 0 DEADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2cc(CO)ccc2F)C1 ZINC000629548446 367244437 /nfs/dbraw/zinc/24/44/37/367244437.db2.gz NSGJGIBXTDOVJM-BPQIPLTHSA-N 1 3 322.424 2.179 20 0 DEADHO COc1ccc([C@@H](C)CCNC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000629563972 367253237 /nfs/dbraw/zinc/25/32/37/367253237.db2.gz ITVAGQHJLNOWCC-RDJZCZTQSA-N 1 3 306.450 2.235 20 0 DEADHO C[C@H](C[NH2+]C[C@@H](O)CN1CCCC1)Oc1ccc(Cl)cc1 ZINC000629563079 367253439 /nfs/dbraw/zinc/25/34/39/367253439.db2.gz DUGJWTIEEAOOHM-UKRRQHHQSA-N 1 3 312.841 2.154 20 0 DEADHO COc1ccc([C@@H](C)CCNC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000629563970 367253466 /nfs/dbraw/zinc/25/34/66/367253466.db2.gz ITVAGQHJLNOWCC-DOTOQJQBSA-N 1 3 306.450 2.235 20 0 DEADHO CN(CC(=O)NCc1cccc(C[NH+]2CCCC2)c1)C1CCC1 ZINC000629947958 367390076 /nfs/dbraw/zinc/39/00/76/367390076.db2.gz ZHEXRJKDNFYIJN-UHFFFAOYSA-N 1 3 315.461 2.383 20 0 DEADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000629980293 367416218 /nfs/dbraw/zinc/41/62/18/367416218.db2.gz XHEHKDCOOCCLNR-HUUCEWRRSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000629980293 367416226 /nfs/dbraw/zinc/41/62/26/367416226.db2.gz XHEHKDCOOCCLNR-HUUCEWRRSA-N 1 3 307.482 2.240 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)C1CCC1 ZINC000677392054 541583710 /nfs/dbraw/zinc/58/37/10/541583710.db2.gz YIPGBPASQXKQKZ-NVXWUHKLSA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)C1CCC1 ZINC000677392054 541583712 /nfs/dbraw/zinc/58/37/12/541583712.db2.gz YIPGBPASQXKQKZ-NVXWUHKLSA-N 1 3 324.513 2.233 20 0 DEADHO CCC[C@H]1CNCCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000359206785 283981038 /nfs/dbraw/zinc/98/10/38/283981038.db2.gz GTRRLUCYZNLERY-SFHVURJKSA-N 1 3 315.461 2.497 20 0 DEADHO CC(C)[C@H]1CNCCN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000630578046 367735594 /nfs/dbraw/zinc/73/55/94/367735594.db2.gz DZTFHUWNAFFDAI-MRXNPFEDSA-N 1 3 304.438 2.210 20 0 DEADHO C[C@@H]([NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)[C@H]1CCCNC1 ZINC000414844253 296114566 /nfs/dbraw/zinc/11/45/66/296114566.db2.gz CPKJRHWKVMQMAX-CABCVRRESA-N 1 3 309.498 2.391 20 0 DEADHO COc1ccc2c(c1)CC[C@H]2[NH2+]CCCN1CCCN(C)CC1 ZINC000631577135 368294622 /nfs/dbraw/zinc/29/46/22/368294622.db2.gz GPKPUJMDPKIMSX-LJQANCHMSA-N 1 3 317.477 2.300 20 0 DEADHO COc1cc(C[N@H+](C)C[C@H]2CCCN(C)C2)cc2c1OCO2 ZINC000092253349 193180759 /nfs/dbraw/zinc/18/07/59/193180759.db2.gz PPKCZCOUDJIGBW-ZDUSSCGKSA-N 1 3 306.406 2.198 20 0 DEADHO COc1cc(C[N@@H+](C)C[C@H]2CCCN(C)C2)cc2c1OCO2 ZINC000092253349 193180761 /nfs/dbraw/zinc/18/07/61/193180761.db2.gz PPKCZCOUDJIGBW-ZDUSSCGKSA-N 1 3 306.406 2.198 20 0 DEADHO CN(C)CCOc1ccc(C[N@H+](C)C[C@H]2CCCOC2)cc1 ZINC000678241471 541697367 /nfs/dbraw/zinc/69/73/67/541697367.db2.gz UFJCHMKEVIDBJY-QGZVFWFLSA-N 1 3 306.450 2.485 20 0 DEADHO CN(C)CCOc1ccc(C[N@@H+](C)C[C@H]2CCCOC2)cc1 ZINC000678241471 541697371 /nfs/dbraw/zinc/69/73/71/541697371.db2.gz UFJCHMKEVIDBJY-QGZVFWFLSA-N 1 3 306.450 2.485 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261546863 203074681 /nfs/dbraw/zinc/07/46/81/203074681.db2.gz LKDSACXGKDGHLM-LAQRGFTBSA-N 1 3 317.477 2.387 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261546863 203074683 /nfs/dbraw/zinc/07/46/83/203074683.db2.gz LKDSACXGKDGHLM-LAQRGFTBSA-N 1 3 317.477 2.387 20 0 DEADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000261720932 203101240 /nfs/dbraw/zinc/10/12/40/203101240.db2.gz KBBKPQNZOVQXBM-FUHWJXTLSA-N 1 3 315.461 2.285 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C[C@H](N)c1ccccc1 ZINC000261746761 203107735 /nfs/dbraw/zinc/10/77/35/203107735.db2.gz STHYIQLNAAYWMK-WBVHZDCISA-N 1 3 303.450 2.457 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C[C@H](N)c1ccccc1 ZINC000261746761 203107737 /nfs/dbraw/zinc/10/77/37/203107737.db2.gz STHYIQLNAAYWMK-WBVHZDCISA-N 1 3 303.450 2.457 20 0 DEADHO O=C(CC[C@@H]1CC[NH2+]C1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000261788678 203117043 /nfs/dbraw/zinc/11/70/43/203117043.db2.gz SRCYBNAVBJSJQT-SJLPKXTDSA-N 1 3 315.461 2.329 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)CC[C@H]2CC[NH2+]C2)cc1 ZINC000261798739 203119853 /nfs/dbraw/zinc/11/98/53/203119853.db2.gz DVBFHWKBOPWYOF-YOEHRIQHSA-N 1 3 303.450 2.316 20 0 DEADHO C[NH2+]CCC1CCN(C(=O)[C@H](C)[C@H](N)c2ccccc2)CC1 ZINC000262047982 203183362 /nfs/dbraw/zinc/18/33/62/203183362.db2.gz MFQRGEGQIDOPMT-PBHICJAKSA-N 1 3 303.450 2.171 20 0 DEADHO C[C@@H](C(=O)Nc1ccc(OCC[NH3+])cc1)[C@@H](N)c1ccccc1 ZINC000262236121 203236815 /nfs/dbraw/zinc/23/68/15/203236815.db2.gz ALFLWJQVFIQJNW-CXAGYDPISA-N 1 3 313.401 2.299 20 0 DEADHO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000262625403 203355297 /nfs/dbraw/zinc/35/52/97/203355297.db2.gz BNJLOXYWBOYSHJ-MGPQQGTHSA-N 1 3 307.463 2.129 20 0 DEADHO C[C@H]1C[C@H](Nc2cccc(CN3CCN(C)CC3)c2)CC[N@@H+]1C ZINC000679010798 541795899 /nfs/dbraw/zinc/79/58/99/541795899.db2.gz JUYTYGWQYOWILC-QFBILLFUSA-N 1 3 316.493 2.329 20 0 DEADHO C[C@H]1C[C@H](Nc2cccc(CN3CCN(C)CC3)c2)CC[N@H+]1C ZINC000679010798 541795902 /nfs/dbraw/zinc/79/59/02/541795902.db2.gz JUYTYGWQYOWILC-QFBILLFUSA-N 1 3 316.493 2.329 20 0 DEADHO Cn1c2ccccc2nc1CC[N@H+](C)C[C@@H]1CCCN(C)C1 ZINC000266086790 205086894 /nfs/dbraw/zinc/08/68/94/205086894.db2.gz YQZTWQRURSDUKU-OAHLLOKOSA-N 1 3 300.450 2.389 20 0 DEADHO Cn1c2ccccc2nc1CC[N@@H+](C)C[C@@H]1CCCN(C)C1 ZINC000266086790 205086900 /nfs/dbraw/zinc/08/69/00/205086900.db2.gz YQZTWQRURSDUKU-OAHLLOKOSA-N 1 3 300.450 2.389 20 0 DEADHO Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N ZINC000530223325 284377877 /nfs/dbraw/zinc/37/78/77/284377877.db2.gz UAYMCUXGGJQEDZ-MZPVMMEZSA-N 1 3 319.424 2.500 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CN(C)CC(C)(C)C ZINC001422268283 1172451209 /nfs/dbraw/zinc/45/12/09/1172451209.db2.gz IYMYSCXOMYIWRA-CVEARBPZSA-N 1 3 311.514 2.495 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000267399039 206037188 /nfs/dbraw/zinc/03/71/88/206037188.db2.gz JDECXLVZMMPOOB-WMZOPIPTSA-N 1 3 317.477 2.353 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000267399039 206037191 /nfs/dbraw/zinc/03/71/91/206037191.db2.gz JDECXLVZMMPOOB-WMZOPIPTSA-N 1 3 317.477 2.353 20 0 DEADHO CCC(CC)c1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)on1 ZINC000531118502 284513232 /nfs/dbraw/zinc/51/32/32/284513232.db2.gz KBVVFDKPHFLWRR-UHFFFAOYSA-N 1 3 324.469 2.144 20 0 DEADHO CC(C)N1CC[C@@H](N(C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000458515217 248350827 /nfs/dbraw/zinc/35/08/27/248350827.db2.gz KXELPLRXSUOUPV-LSDHHAIUSA-N 1 3 312.502 2.087 20 0 DEADHO CN(C)C/C=C\C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000492222420 249018697 /nfs/dbraw/zinc/01/86/97/249018697.db2.gz OOFUGKCPZGWEBO-VURMDHGXSA-N 1 3 307.482 2.219 20 0 DEADHO OC1CC[NH+](CCCNC/C=C/c2ccc(F)c(F)c2)CC1 ZINC000285329227 218384136 /nfs/dbraw/zinc/38/41/36/218384136.db2.gz BRKQKJDUELPSDB-HNQUOIGGSA-N 1 3 310.388 2.414 20 0 DEADHO COCCN(C)CC[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000268851633 207017262 /nfs/dbraw/zinc/01/72/62/207017262.db2.gz PJHDZPZMSKCYAV-HKUYNNGSSA-N 1 3 319.493 2.207 20 0 DEADHO COCCN(C)CCN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268851633 207017265 /nfs/dbraw/zinc/01/72/65/207017265.db2.gz PJHDZPZMSKCYAV-HKUYNNGSSA-N 1 3 319.493 2.207 20 0 DEADHO COCCN(C)CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268851633 207017267 /nfs/dbraw/zinc/01/72/67/207017267.db2.gz PJHDZPZMSKCYAV-HKUYNNGSSA-N 1 3 319.493 2.207 20 0 DEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H](N)C(C)C)CC1 ZINC000269239695 207369261 /nfs/dbraw/zinc/36/92/61/207369261.db2.gz QDKPGLPOGHPAMN-QGZVFWFLSA-N 1 3 303.450 2.059 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCN(C)CC[C@@H]2C)C1 ZINC000355479230 207392501 /nfs/dbraw/zinc/39/25/01/207392501.db2.gz YTVPGSJVBHSBHX-SJORKVTESA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCN(C)CC[C@@H]2C)C1 ZINC000355479230 207392504 /nfs/dbraw/zinc/39/25/04/207392504.db2.gz YTVPGSJVBHSBHX-SJORKVTESA-N 1 3 324.513 2.234 20 0 DEADHO COc1ccc2c(c1)[C@@H](NCCOCC[NH+](C)C)CCCO2 ZINC000556078179 291811188 /nfs/dbraw/zinc/81/11/88/291811188.db2.gz DJHXFCHWQHTEAY-INIZCTEOSA-N 1 3 308.422 2.077 20 0 DEADHO C[C@@H]1CCCC[C@@H]1OCCN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420333601 296343225 /nfs/dbraw/zinc/34/32/25/296343225.db2.gz OEZQTJYDPRODCU-BGTYHANMSA-N 1 3 310.482 2.410 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]C2CCN(C3CC3)CC2)[C@H](C)C1 ZINC000119670216 195012950 /nfs/dbraw/zinc/01/29/50/195012950.db2.gz YWQKQARDVYWPRJ-VQIMIIECSA-N 1 3 323.525 2.340 20 0 DEADHO C[C@H](F)CC[NH2+]C1(C)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001368656479 1148554519 /nfs/dbraw/zinc/55/45/19/1148554519.db2.gz PGNUNUPFYSPGIQ-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000158988665 197316984 /nfs/dbraw/zinc/31/69/84/197316984.db2.gz UJFISTCEXMIZLN-OAHLLOKOSA-N 1 3 314.518 2.334 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000157892886 197224759 /nfs/dbraw/zinc/22/47/59/197224759.db2.gz KTMLWZZUPHXVMT-INIZCTEOSA-N 1 3 312.502 2.090 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000157874931 197222229 /nfs/dbraw/zinc/22/22/29/197222229.db2.gz SNTGNQPYPMRHNW-SWLSCSKDSA-N 1 3 315.417 2.352 20 0 DEADHO C[C@@H](NC(=O)N1CCNC(C)(C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000418188466 533127288 /nfs/dbraw/zinc/12/72/88/533127288.db2.gz UMKGYVQBTSCVBP-ZBFHGGJFSA-N 1 3 318.465 2.071 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000345222690 285248763 /nfs/dbraw/zinc/24/87/63/285248763.db2.gz MBXAECDHAHVVRQ-BDXSIMOUSA-N 1 3 321.509 2.297 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000345222690 285248767 /nfs/dbraw/zinc/24/87/67/285248767.db2.gz MBXAECDHAHVVRQ-BDXSIMOUSA-N 1 3 321.509 2.297 20 0 DEADHO C(=C\C[N@@H+]1CCC12CCOCC2)\CN1CCC12CCOCC2 ZINC000683525877 542465540 /nfs/dbraw/zinc/46/55/40/542465540.db2.gz KCLWZYAUOCMVFO-UPHRSURJSA-N 1 3 306.450 2.052 20 0 DEADHO C(=C\C[N@H+]1CCC12CCOCC2)\CN1CCC12CCOCC2 ZINC000683525877 542465544 /nfs/dbraw/zinc/46/55/44/542465544.db2.gz KCLWZYAUOCMVFO-UPHRSURJSA-N 1 3 306.450 2.052 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(C/C=C\c1ccncc1)CCN(C)C ZINC000349063133 285275757 /nfs/dbraw/zinc/27/57/57/285275757.db2.gz PIWJQBDFNIFHNO-WPGJWXSHSA-N 1 3 316.493 2.443 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(C/C=C\c1ccncc1)CCN(C)C ZINC000349063133 285275758 /nfs/dbraw/zinc/27/57/58/285275758.db2.gz PIWJQBDFNIFHNO-WPGJWXSHSA-N 1 3 316.493 2.443 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)C(C)(F)F ZINC000339655348 285280354 /nfs/dbraw/zinc/28/03/54/285280354.db2.gz MFONOMRYVIZWST-KBPBESRZSA-N 1 3 319.440 2.152 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)C(C)(F)F ZINC000339655348 285280357 /nfs/dbraw/zinc/28/03/57/285280357.db2.gz MFONOMRYVIZWST-KBPBESRZSA-N 1 3 319.440 2.152 20 0 DEADHO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000683814143 542498732 /nfs/dbraw/zinc/49/87/32/542498732.db2.gz AIHRONPTWHDWIH-PKOBYXMFSA-N 1 3 319.493 2.380 20 0 DEADHO C[NH+](C)CC1(C(=O)N[C@H]2CCN(CC3CC3)C2)CCCCC1 ZINC000683847143 542504959 /nfs/dbraw/zinc/50/49/59/542504959.db2.gz DABZSWKYVRKTTQ-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CN1Cc1ccccc1 ZINC000290036594 221393275 /nfs/dbraw/zinc/39/32/75/221393275.db2.gz ULWRHBFGVSONDE-CIRFHOKZSA-N 1 3 315.461 2.154 20 0 DEADHO CO[C@@H](CN)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000290039423 221394353 /nfs/dbraw/zinc/39/43/53/221394353.db2.gz SMQQAINWXRIMRJ-KRWDZBQOSA-N 1 3 319.449 2.363 20 0 DEADHO CO[C@@H](CN)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000290039423 221394356 /nfs/dbraw/zinc/39/43/56/221394356.db2.gz SMQQAINWXRIMRJ-KRWDZBQOSA-N 1 3 319.449 2.363 20 0 DEADHO COC[C@H](CC(C)C)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000358281152 285371193 /nfs/dbraw/zinc/37/11/93/285371193.db2.gz AKRSCOXQMZOZDJ-BZSNNMDCSA-N 1 3 312.498 2.405 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN2CCCCC2)C[C@@H]1C ZINC000361756413 285390006 /nfs/dbraw/zinc/39/00/06/285390006.db2.gz USHPMZGADRNCQP-IKGGRYGDSA-N 1 3 324.513 2.375 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN2CCCCC2)C[C@@H]1C ZINC000361756413 285390007 /nfs/dbraw/zinc/39/00/07/285390007.db2.gz USHPMZGADRNCQP-IKGGRYGDSA-N 1 3 324.513 2.375 20 0 DEADHO C[C@@H](C(=O)NCCN1CCCC(C)(C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000444624074 533258912 /nfs/dbraw/zinc/25/89/12/533258912.db2.gz VROCBFYDVSFXJP-OAGGEKHMSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000294722245 533334183 /nfs/dbraw/zinc/33/41/83/533334183.db2.gz CAAOQKPOIQHCDG-CRAIPNDOSA-N 1 3 315.461 2.298 20 0 DEADHO COc1cccc(N2CC[C@@H]([NH2+][C@H](C)[C@H]3CCCCN3)C2)c1 ZINC000422701477 533583555 /nfs/dbraw/zinc/58/35/55/533583555.db2.gz BZSDGDTUXJFEPO-IIDMSEBBSA-N 1 3 303.450 2.394 20 0 DEADHO COc1cccc(N2CC[C@H](N[C@@H]3CC[NH2+]CC[C@H]3C)C2)c1 ZINC000422703103 533588820 /nfs/dbraw/zinc/58/88/20/533588820.db2.gz HBANDCXRCMFISS-RVKKMQEKSA-N 1 3 303.450 2.252 20 0 DEADHO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C1 ZINC000684393449 542599705 /nfs/dbraw/zinc/59/97/05/542599705.db2.gz JUKQSBGSONSDJW-CEXWTWQISA-N 1 3 318.461 2.300 20 0 DEADHO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C1 ZINC000684393451 542600132 /nfs/dbraw/zinc/60/01/32/542600132.db2.gz JUKQSBGSONSDJW-GUDVDZBRSA-N 1 3 318.461 2.300 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+]CC[C@H](O)C(F)(F)F)cc1 ZINC000685458167 542727576 /nfs/dbraw/zinc/72/75/76/542727576.db2.gz PVTWKHYXGMIVOC-AWEZNQCLSA-N 1 3 320.355 2.030 20 0 DEADHO CN(C)CCOc1ccc(CN(C)CC[NH+]2CCCC2)cc1 ZINC000685456061 542726213 /nfs/dbraw/zinc/72/62/13/542726213.db2.gz AAXUKLKBQMJZSS-UHFFFAOYSA-N 1 3 305.466 2.155 20 0 DEADHO COC1(C[N@H+](C)[C@H]2CCN(C3CCN(C)CC3)C2)CCCC1 ZINC000685457061 542726881 /nfs/dbraw/zinc/72/68/81/542726881.db2.gz ANJUIBZJUMPCMA-KRWDZBQOSA-N 1 3 309.498 2.046 20 0 DEADHO COC1(C[N@@H+](C)[C@H]2CCN(C3CCN(C)CC3)C2)CCCC1 ZINC000685457061 542726885 /nfs/dbraw/zinc/72/68/85/542726885.db2.gz ANJUIBZJUMPCMA-KRWDZBQOSA-N 1 3 309.498 2.046 20 0 DEADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCN(C)Cc1ccccc1 ZINC000355406473 133024333 /nfs/dbraw/zinc/02/43/33/133024333.db2.gz BSPXOVNWHGFXCN-HOTGVXAUSA-N 1 3 303.450 2.107 20 0 DEADHO CC(C)[NH+](CCN(C)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)C(C)C ZINC000355943502 133056706 /nfs/dbraw/zinc/05/67/06/133056706.db2.gz MVZXBUXHGHFQKZ-HZPDHXFCSA-N 1 3 324.513 2.372 20 0 DEADHO C[C@@H](NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)C1=CCN(C)CC1 ZINC000357858204 133105185 /nfs/dbraw/zinc/10/51/85/133105185.db2.gz UVAKTMFNOYKPOW-BZUAXINKSA-N 1 3 322.497 2.056 20 0 DEADHO C[C@@H](NC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1)C1=CCN(C)CC1 ZINC000357858204 133105186 /nfs/dbraw/zinc/10/51/86/133105186.db2.gz UVAKTMFNOYKPOW-BZUAXINKSA-N 1 3 322.497 2.056 20 0 DEADHO C[C@H](C1CC1)N(C(=O)CN1CCC(CC[NH+](C)C)CC1)C1CC1 ZINC000357876538 133106543 /nfs/dbraw/zinc/10/65/43/133106543.db2.gz XXRGRLMXIBRGTP-OAHLLOKOSA-N 1 3 321.509 2.440 20 0 DEADHO CCC[NH+]1CCC(N(C)C(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC000358084407 133119751 /nfs/dbraw/zinc/11/97/51/133119751.db2.gz ZLVLCJKZOZSLSJ-OAHLLOKOSA-N 1 3 322.497 2.153 20 0 DEADHO C[C@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)C1=CCN(C)CC1 ZINC000358094915 133120454 /nfs/dbraw/zinc/12/04/54/133120454.db2.gz CTDYRBMNFUJZKB-HNNXBMFYSA-N 1 3 322.497 2.010 20 0 DEADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1cccc(CN2CCCC2=O)c1 ZINC000358101417 133121316 /nfs/dbraw/zinc/12/13/16/133121316.db2.gz USTPGBIQPQSSBU-YJBOKZPZSA-N 1 3 315.461 2.239 20 0 DEADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1cccc(CN2CCCC2=O)c1 ZINC000358101417 133121317 /nfs/dbraw/zinc/12/13/17/133121317.db2.gz USTPGBIQPQSSBU-YJBOKZPZSA-N 1 3 315.461 2.239 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000358145894 133123917 /nfs/dbraw/zinc/12/39/17/133123917.db2.gz UFKYKBHMRLRBTO-DOTOQJQBSA-N 1 3 324.513 2.423 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000358145894 133123918 /nfs/dbraw/zinc/12/39/18/133123918.db2.gz UFKYKBHMRLRBTO-DOTOQJQBSA-N 1 3 324.513 2.423 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000360079794 133160490 /nfs/dbraw/zinc/16/04/90/133160490.db2.gz UHUPLAMJALRVQU-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000360079794 133160491 /nfs/dbraw/zinc/16/04/91/133160491.db2.gz UHUPLAMJALRVQU-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO C(NC1CC[NH+](C2CCCCC2)CC1)C1(N2CCOCC2)CC1 ZINC000368473498 133275193 /nfs/dbraw/zinc/27/51/93/133275193.db2.gz HWOXWPQNQVXBGE-UHFFFAOYSA-N 1 3 321.509 2.238 20 0 DEADHO C([NH2+]C1CCN(C2CCCCC2)CC1)C1(N2CCOCC2)CC1 ZINC000368473498 133275194 /nfs/dbraw/zinc/27/51/94/133275194.db2.gz HWOXWPQNQVXBGE-UHFFFAOYSA-N 1 3 321.509 2.238 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000563072517 292029680 /nfs/dbraw/zinc/02/96/80/292029680.db2.gz QCVMNZOZWIAUQI-HDMKZQKVSA-N 1 3 315.461 2.326 20 0 DEADHO CC1(C)CCN(CC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000563383244 292051944 /nfs/dbraw/zinc/05/19/44/292051944.db2.gz OGYWFGPXBHLAMR-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO Cc1ccc(OC[C@H](O)CNC2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000563529252 292061544 /nfs/dbraw/zinc/06/15/44/292061544.db2.gz VVQIDHXOTPBXNP-GOSISDBHSA-N 1 3 318.461 2.260 20 0 DEADHO CCN1CCC(NC(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000563560091 292062974 /nfs/dbraw/zinc/06/29/74/292062974.db2.gz XPUBYZRHOXLHQI-UHFFFAOYSA-N 1 3 310.486 2.082 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C=CCCC3)CC2)CC1 ZINC000563727322 292071564 /nfs/dbraw/zinc/07/15/64/292071564.db2.gz SEKPDOUYWZSKJF-QGZVFWFLSA-N 1 3 319.493 2.408 20 0 DEADHO C[C@@H](CNC(=O)[C@@H]1CNCc2ccccc21)[N@@H+]1CCCC[C@H]1C ZINC000563716552 292070779 /nfs/dbraw/zinc/07/07/79/292070779.db2.gz MLQRHRWWUSGQKQ-RVKKMQEKSA-N 1 3 315.461 2.253 20 0 DEADHO C[C@@H](CNC(=O)[C@@H]1CNCc2ccccc21)[N@H+]1CCCC[C@H]1C ZINC000563716552 292070780 /nfs/dbraw/zinc/07/07/80/292070780.db2.gz MLQRHRWWUSGQKQ-RVKKMQEKSA-N 1 3 315.461 2.253 20 0 DEADHO C[C@H](C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1)[C@@H](N)c1ccccc1 ZINC000563875204 292077600 /nfs/dbraw/zinc/07/76/00/292077600.db2.gz XKZKGKWPYGCUNT-DZJNRPSUSA-N 1 3 315.461 2.313 20 0 DEADHO C[C@H](NC(=O)N(C)CCC[NH+](C)C)[C@H](c1ccccc1)N(C)C ZINC000563932930 292080378 /nfs/dbraw/zinc/08/03/78/292080378.db2.gz ARNIQLUTFXXNJG-DOTOQJQBSA-N 1 3 320.481 2.271 20 0 DEADHO C[C@H]1C[NH+](CC2CCN(CCOCC(F)F)CC2)C[C@H](C)O1 ZINC000189057737 145021636 /nfs/dbraw/zinc/02/16/36/145021636.db2.gz MIGBKRURJNGOKK-KBPBESRZSA-N 1 3 320.424 2.089 20 0 DEADHO CC[NH+](CC)CCCN1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000246225504 145095136 /nfs/dbraw/zinc/09/51/36/145095136.db2.gz RRMAQRUJJFORMW-OKZBNKHCSA-N 1 3 311.514 2.292 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246297124 145098175 /nfs/dbraw/zinc/09/81/75/145098175.db2.gz DVNCZGNVLLEONE-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246297124 145098178 /nfs/dbraw/zinc/09/81/78/145098178.db2.gz DVNCZGNVLLEONE-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CCN1CC[C@@H]([NH2+]Cc2ccc(-n3ccnc3C)nc2)[C@@H](C)C1 ZINC000246881803 145117511 /nfs/dbraw/zinc/11/75/11/145117511.db2.gz DYHRQWSMGVPVRA-WMLDXEAASA-N 1 3 313.449 2.396 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000247657016 145142565 /nfs/dbraw/zinc/14/25/65/145142565.db2.gz YSVKBFOBDSJQQE-DLBZAZTESA-N 1 3 324.513 2.282 20 0 DEADHO C[C@H](C[S@@](C)=O)N[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000248496354 145156780 /nfs/dbraw/zinc/15/67/80/145156780.db2.gz QSGIBEVILZBMEP-ZMOMAAQPSA-N 1 3 312.479 2.045 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000261404235 145205961 /nfs/dbraw/zinc/20/59/61/145205961.db2.gz ODULNNCTYRTPKE-RDJZCZTQSA-N 1 3 324.513 2.423 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000261404235 145205963 /nfs/dbraw/zinc/20/59/63/145205963.db2.gz ODULNNCTYRTPKE-RDJZCZTQSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C1([NH3+])CCCCC1 ZINC000261550047 145206903 /nfs/dbraw/zinc/20/69/03/145206903.db2.gz PESXVZBUDOFEST-OAHLLOKOSA-N 1 3 303.450 2.285 20 0 DEADHO COc1cc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)cc2c1OCO2 ZINC000261966032 145247620 /nfs/dbraw/zinc/24/76/20/145247620.db2.gz YKNUTQSLZZOIFI-HNNXBMFYSA-N 1 3 318.417 2.388 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262188270 145268430 /nfs/dbraw/zinc/26/84/30/145268430.db2.gz CBJCRMCZPWWFAP-VEDRIOIWSA-N 1 3 319.493 2.225 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(N2CCCC2=O)cc1 ZINC000262344749 145277696 /nfs/dbraw/zinc/27/76/96/145277696.db2.gz USAJLFQTOSKOSQ-RDJZCZTQSA-N 1 3 301.434 2.421 20 0 DEADHO CCN1CCC[C@H]1CN(C)C(=O)c1ccccc1CC[NH2+]C ZINC000262346653 145278200 /nfs/dbraw/zinc/27/82/00/145278200.db2.gz UWDVNDNUAMPLHL-INIZCTEOSA-N 1 3 303.450 2.005 20 0 DEADHO CC(C)(C)[C@H](N)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000263065013 145321950 /nfs/dbraw/zinc/32/19/50/145321950.db2.gz YUKGVFYIVHAFDA-LLVKDONJSA-N 1 3 303.328 2.476 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)N(CC)CC ZINC000346295419 146055821 /nfs/dbraw/zinc/05/58/21/146055821.db2.gz CIEQUASRMXKWND-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO C[NH2+]CCC1CCN(Cc2cnc3c(c2)c(C)nn3C)CC1 ZINC000346652694 146117603 /nfs/dbraw/zinc/11/76/03/146117603.db2.gz HVWSZFYNVGNCOQ-UHFFFAOYSA-N 1 3 301.438 2.098 20 0 DEADHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccc(OCc2nccn2C)cc1 ZINC000346687812 146124689 /nfs/dbraw/zinc/12/46/89/146124689.db2.gz WSLYMMPWYQTUKA-GDBMZVCRSA-N 1 3 314.433 2.168 20 0 DEADHO COc1ccc(-c2n[nH]cc2CN2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000346690578 146124920 /nfs/dbraw/zinc/12/49/20/146124920.db2.gz UDQDUMNLPGBQOT-OLZOCXBDSA-N 1 3 300.406 2.254 20 0 DEADHO C[N@H+](C[C@H]1CCCNC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000346835799 146150298 /nfs/dbraw/zinc/15/02/98/146150298.db2.gz OCLZNEQNMXFOHC-INIZCTEOSA-N 1 3 315.461 2.223 20 0 DEADHO C[N@@H+](C[C@H]1CCCNC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000346835799 146150300 /nfs/dbraw/zinc/15/03/00/146150300.db2.gz OCLZNEQNMXFOHC-INIZCTEOSA-N 1 3 315.461 2.223 20 0 DEADHO CN(C[C@H]1CCC[NH2+]C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000346835799 146150302 /nfs/dbraw/zinc/15/03/02/146150302.db2.gz OCLZNEQNMXFOHC-INIZCTEOSA-N 1 3 315.461 2.223 20 0 DEADHO Cc1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1-n1cncn1 ZINC000346855685 146154622 /nfs/dbraw/zinc/15/46/22/146154622.db2.gz VFPYUXYQHAUBJN-ULQDDVLXSA-N 1 3 311.433 2.135 20 0 DEADHO CNC(=O)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000346868728 146155812 /nfs/dbraw/zinc/15/58/12/146155812.db2.gz CMAFUDTTZTXXJF-XOYOTBSWSA-N 1 3 315.461 2.011 20 0 DEADHO CNC(=O)C[C@H](C)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000346868728 146155813 /nfs/dbraw/zinc/15/58/13/146155813.db2.gz CMAFUDTTZTXXJF-XOYOTBSWSA-N 1 3 315.461 2.011 20 0 DEADHO CNC(=O)C[C@H](C)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000346868728 146155816 /nfs/dbraw/zinc/15/58/16/146155816.db2.gz CMAFUDTTZTXXJF-XOYOTBSWSA-N 1 3 315.461 2.011 20 0 DEADHO CCc1oc2ccccc2c1CN(C)CCN1CC[NH2+]CC1 ZINC000347125244 146197861 /nfs/dbraw/zinc/19/78/61/146197861.db2.gz XSGXESIOOPXEJQ-UHFFFAOYSA-N 1 3 301.434 2.332 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000348642074 146294395 /nfs/dbraw/zinc/29/43/95/146294395.db2.gz NBUODCFLMNWUDD-GVDBMIGSSA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000348642074 146294398 /nfs/dbraw/zinc/29/43/98/146294398.db2.gz NBUODCFLMNWUDD-GVDBMIGSSA-N 1 3 324.513 2.280 20 0 DEADHO Cc1ccc2[nH]c(C[NH2+]CC3(O)CCN(C)CC3)cc2c1C ZINC000349632498 146391641 /nfs/dbraw/zinc/39/16/41/146391641.db2.gz QNPZNLCTLROXRA-UHFFFAOYSA-N 1 3 301.434 2.331 20 0 DEADHO O=C(NCCCCC[NH+]1CCCC1)C1CCN(C2CC2)CC1 ZINC000357063629 147033474 /nfs/dbraw/zinc/03/34/74/147033474.db2.gz ZRVJBJWOCFETRK-UHFFFAOYSA-N 1 3 307.482 2.243 20 0 DEADHO CCN1C[C@@H](C)[C@@H]([NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000357341867 147090526 /nfs/dbraw/zinc/09/05/26/147090526.db2.gz HZDNHDOHJLWZLX-QAPCUYQASA-N 1 3 302.466 2.228 20 0 DEADHO C[C@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358510555 147147538 /nfs/dbraw/zinc/14/75/38/147147538.db2.gz RYROKBGAZVFFPA-HOTGVXAUSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358514769 147148434 /nfs/dbraw/zinc/14/84/34/147148434.db2.gz XOVDPITXXZYSEF-JKSUJKDBSA-N 1 3 315.461 2.328 20 0 DEADHO C[C@@H](C(=O)NCC1CCCCC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358520464 147149685 /nfs/dbraw/zinc/14/96/85/147149685.db2.gz UZFLEEXFGVXXTL-HNNXBMFYSA-N 1 3 307.482 2.147 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000358563504 147156921 /nfs/dbraw/zinc/15/69/21/147156921.db2.gz GVYOZMSOHSBWBR-QGZVFWFLSA-N 1 3 309.498 2.299 20 0 DEADHO CS[C@@H]1CN(CCCn2ccnc2C)C[C@H]1[NH+]1CCCC1 ZINC000358827437 147214406 /nfs/dbraw/zinc/21/44/06/147214406.db2.gz QELAQLLIADWFHA-HZPDHXFCSA-N 1 3 308.495 2.093 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]CCC(C)(C)O)CC1 ZINC000359395542 147320825 /nfs/dbraw/zinc/32/08/25/147320825.db2.gz SDDSQJTWMYPCMN-UHFFFAOYSA-N 1 3 305.466 2.079 20 0 DEADHO C[NH2+]C[C@H]1CCCN1C(=O)NCc1ncoc1-c1ccccc1 ZINC000565647343 292175114 /nfs/dbraw/zinc/17/51/14/292175114.db2.gz XMKHFYABTNPONC-CQSZACIVSA-N 1 3 314.389 2.235 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CC(C)(C)[NH3+] ZINC000370772955 148053689 /nfs/dbraw/zinc/05/36/89/148053689.db2.gz MXBKHNRWBWFWFB-GDBMZVCRSA-N 1 3 303.450 2.141 20 0 DEADHO CN(C)CCN(C)CCC[N@H+](C)CC1Cc2ccccc2C1 ZINC000565984177 292194936 /nfs/dbraw/zinc/19/49/36/292194936.db2.gz RTOQQLOCTUTZPE-UHFFFAOYSA-N 1 3 303.494 2.217 20 0 DEADHO CN(C)CCN(C)CCC[N@@H+](C)CC1Cc2ccccc2C1 ZINC000565984177 292194937 /nfs/dbraw/zinc/19/49/37/292194937.db2.gz RTOQQLOCTUTZPE-UHFFFAOYSA-N 1 3 303.494 2.217 20 0 DEADHO Cc1ccc([C@@H](CCn2cncn2)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000423207911 292197961 /nfs/dbraw/zinc/19/79/61/292197961.db2.gz HJTLXRZWHJUEKR-FUHWJXTLSA-N 1 3 313.449 2.307 20 0 DEADHO Fc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c(F)c1 ZINC000566089716 292203825 /nfs/dbraw/zinc/20/38/25/292203825.db2.gz PXDLPQDEGMDAGG-DJIMGWMZSA-N 1 3 310.388 2.254 20 0 DEADHO CCNC(=O)C1(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CCC1 ZINC000566088877 292204063 /nfs/dbraw/zinc/20/40/63/292204063.db2.gz FNUZFQLEPLOKRH-BZUAXINKSA-N 1 3 307.482 2.193 20 0 DEADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCN(C)CC)C1 ZINC000111843135 401725723 /nfs/dbraw/zinc/72/57/23/401725723.db2.gz GDCLWVCKEQSPDB-HNNXBMFYSA-N 1 3 312.502 2.138 20 0 DEADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCN(C)CC)C1 ZINC000111843135 401725724 /nfs/dbraw/zinc/72/57/24/401725724.db2.gz GDCLWVCKEQSPDB-HNNXBMFYSA-N 1 3 312.502 2.138 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CC1CC1 ZINC000074205519 401733011 /nfs/dbraw/zinc/73/30/11/401733011.db2.gz ISGGNDOAKAFUFZ-RDJZCZTQSA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CC1CC1 ZINC000074205519 401733013 /nfs/dbraw/zinc/73/30/13/401733013.db2.gz ISGGNDOAKAFUFZ-RDJZCZTQSA-N 1 3 324.513 2.233 20 0 DEADHO Cc1cccc(OCCN(C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000126390088 401691869 /nfs/dbraw/zinc/69/18/69/401691869.db2.gz VLUXGZLATLNYIZ-UHFFFAOYSA-N 1 3 319.493 2.332 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N(C)C ZINC000126501366 401697553 /nfs/dbraw/zinc/69/75/53/401697553.db2.gz JUDGKIPEFNULMB-BHYGNILZSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N(C)C ZINC000126501366 401697555 /nfs/dbraw/zinc/69/75/55/401697555.db2.gz JUDGKIPEFNULMB-BHYGNILZSA-N 1 3 307.482 2.048 20 0 DEADHO CC[C@H](C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)N(C)C ZINC000129021978 401797476 /nfs/dbraw/zinc/79/74/76/401797476.db2.gz FJBDFCNYVSGVHQ-OFLPRAFFSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H]1Cc2ccccc2[C@H]1NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000128035202 401760248 /nfs/dbraw/zinc/76/02/48/401760248.db2.gz WPNDZMOPBYEHHE-HFTRVMKXSA-N 1 3 315.461 2.097 20 0 DEADHO C[C@@H]1Cc2ccccc2[C@H]1NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000128035202 401760250 /nfs/dbraw/zinc/76/02/50/401760250.db2.gz WPNDZMOPBYEHHE-HFTRVMKXSA-N 1 3 315.461 2.097 20 0 DEADHO FC(F)(F)CN1CCC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000130150937 401820608 /nfs/dbraw/zinc/82/06/08/401820608.db2.gz GGCFNUGGJVEIFQ-ZIAGYGMSSA-N 1 3 305.388 2.230 20 0 DEADHO FC(F)(F)CN1CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000130150937 401820610 /nfs/dbraw/zinc/82/06/10/401820610.db2.gz GGCFNUGGJVEIFQ-ZIAGYGMSSA-N 1 3 305.388 2.230 20 0 DEADHO FC(F)(F)CN1CCC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000130150937 401820614 /nfs/dbraw/zinc/82/06/14/401820614.db2.gz GGCFNUGGJVEIFQ-ZIAGYGMSSA-N 1 3 305.388 2.230 20 0 DEADHO CCCN1CCN(c2ccccc2C[N@H+](C)C[C@@H](C)O)CC1 ZINC000130780014 401838546 /nfs/dbraw/zinc/83/85/46/401838546.db2.gz DYLNENNTBFUQMT-MRXNPFEDSA-N 1 3 305.466 2.031 20 0 DEADHO CCCN1CCN(c2ccccc2C[N@@H+](C)C[C@@H](C)O)CC1 ZINC000130780014 401838550 /nfs/dbraw/zinc/83/85/50/401838550.db2.gz DYLNENNTBFUQMT-MRXNPFEDSA-N 1 3 305.466 2.031 20 0 DEADHO CC(C)C1CCC(N2CCN(C(=O)C[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000130895456 401840414 /nfs/dbraw/zinc/84/04/14/401840414.db2.gz MCIIWXFRSANUEP-WWDZGPRUSA-N 1 3 321.509 2.345 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccnc(OC)c2)[C@H](C)C1 ZINC000131698079 401854862 /nfs/dbraw/zinc/85/48/62/401854862.db2.gz RUTMMSDIERZJMG-NVXWUHKLSA-N 1 3 321.465 2.317 20 0 DEADHO CN1CCCC[C@H]1CC[N@H+](C)C[C@H](O)COCc1ccccc1 ZINC000084963811 401912422 /nfs/dbraw/zinc/91/24/22/401912422.db2.gz STWYRDCPDZUZQK-OALUTQOASA-N 1 3 320.477 2.370 20 0 DEADHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@H](O)COCc1ccccc1 ZINC000084963811 401912425 /nfs/dbraw/zinc/91/24/25/401912425.db2.gz STWYRDCPDZUZQK-OALUTQOASA-N 1 3 320.477 2.370 20 0 DEADHO Cc1n[nH]c(C)c1CN1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000120615431 401995772 /nfs/dbraw/zinc/99/57/72/401995772.db2.gz AUNZMMDPQZEFNB-KBPBESRZSA-N 1 3 320.481 2.348 20 0 DEADHO CC[C@H](C(=O)NC1CCN(Cc2ccsc2)CC1)[NH+](C)C ZINC000151759380 402055478 /nfs/dbraw/zinc/05/54/78/402055478.db2.gz HRRMWIXAFKQXMH-OAHLLOKOSA-N 1 3 309.479 2.169 20 0 DEADHO CCC[C@@H]1CCCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000120904516 402006554 /nfs/dbraw/zinc/00/65/54/402006554.db2.gz OEAQSADQTBAIHK-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CCN(C)CCNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000066988565 402149364 /nfs/dbraw/zinc/14/93/64/402149364.db2.gz FEDWCVBHIOIEKN-UHFFFAOYSA-N 1 3 318.465 2.033 20 0 DEADHO CN(CC1CCN(C)CC1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000103508215 402191686 /nfs/dbraw/zinc/19/16/86/402191686.db2.gz ULNBHNQWLMRFHE-UHFFFAOYSA-N 1 3 324.513 2.279 20 0 DEADHO COc1ccc2oc(C[NH2+]CC3CCN(CCO)CC3)cc2c1 ZINC000125135143 402215172 /nfs/dbraw/zinc/21/51/72/402215172.db2.gz DJKJOMPCDSWORD-UHFFFAOYSA-N 1 3 318.417 2.235 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000155630073 402263465 /nfs/dbraw/zinc/26/34/65/402263465.db2.gz NMNRXHNAWNPHOD-PBHICJAKSA-N 1 3 303.450 2.272 20 0 DEADHO CC[C@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000125378964 402228870 /nfs/dbraw/zinc/22/88/70/402228870.db2.gz CQLSGUJUIATYID-ZWKOTPCHSA-N 1 3 317.477 2.307 20 0 DEADHO CC[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000125378964 402228874 /nfs/dbraw/zinc/22/88/74/402228874.db2.gz CQLSGUJUIATYID-ZWKOTPCHSA-N 1 3 317.477 2.307 20 0 DEADHO Cc1nn(C)c2ncc(CN(C)CC3CC[NH+](C)CC3)cc12 ZINC000154814234 402234132 /nfs/dbraw/zinc/23/41/32/402234132.db2.gz JZDBQLPNLDWORN-UHFFFAOYSA-N 1 3 301.438 2.050 20 0 DEADHO Cc1nn(C)c2ncc(C[N@H+](C)CC3CCN(C)CC3)cc12 ZINC000154814234 402234133 /nfs/dbraw/zinc/23/41/33/402234133.db2.gz JZDBQLPNLDWORN-UHFFFAOYSA-N 1 3 301.438 2.050 20 0 DEADHO Cc1nn(C)c2ncc(C[N@@H+](C)CC3CCN(C)CC3)cc12 ZINC000154814234 402234137 /nfs/dbraw/zinc/23/41/37/402234137.db2.gz JZDBQLPNLDWORN-UHFFFAOYSA-N 1 3 301.438 2.050 20 0 DEADHO COCC[NH+]1CCC(N[C@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC000154861823 402236354 /nfs/dbraw/zinc/23/63/54/402236354.db2.gz WINLLWNEQINRTP-JLCFBVMHSA-N 1 3 324.490 2.185 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)COCc2ccccc2)[C@H](C)C1 ZINC000125781038 402249625 /nfs/dbraw/zinc/24/96/25/402249625.db2.gz IAHKKXHDENWOOU-QRQLOZEOSA-N 1 3 320.477 2.226 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)COCc2ccccc2)[C@H](C)C1 ZINC000125781038 402249627 /nfs/dbraw/zinc/24/96/27/402249627.db2.gz IAHKKXHDENWOOU-QRQLOZEOSA-N 1 3 320.477 2.226 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CN1C1CC1 ZINC000125916282 402256479 /nfs/dbraw/zinc/25/64/79/402256479.db2.gz IBRGODYZIPIMRT-FMKPAKJESA-N 1 3 324.513 2.277 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)NC[C@@H](C)N(C)C2CC2)CC1 ZINC000105217053 402206579 /nfs/dbraw/zinc/20/65/79/402206579.db2.gz LRUQBHRMIMYJQP-CQSZACIVSA-N 1 3 310.486 2.033 20 0 DEADHO CC(C)(C)OC(=O)N1CCC[C@@H](NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000220788518 402302455 /nfs/dbraw/zinc/30/24/55/402302455.db2.gz NNDKCIYVWCSSRK-HUUCEWRRSA-N 1 3 323.481 2.460 20 0 DEADHO CC(C)(C)OC(=O)N1CCC[C@@H](NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000220788518 402302458 /nfs/dbraw/zinc/30/24/58/402302458.db2.gz NNDKCIYVWCSSRK-HUUCEWRRSA-N 1 3 323.481 2.460 20 0 DEADHO C[C@@H]1C[C@H](NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)CC[N@@H+]1C ZINC000222693992 402308852 /nfs/dbraw/zinc/30/88/52/402308852.db2.gz MSBIEDGCJXDZFW-BPLDGKMQSA-N 1 3 311.470 2.362 20 0 DEADHO C[C@@H]1C[C@H](NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)CC[N@H+]1C ZINC000222693992 402308855 /nfs/dbraw/zinc/30/88/55/402308855.db2.gz MSBIEDGCJXDZFW-BPLDGKMQSA-N 1 3 311.470 2.362 20 0 DEADHO CN(CCN(C)C1CC1)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000185403749 402350556 /nfs/dbraw/zinc/35/05/56/402350556.db2.gz ZDMRLLHPTKJTLV-OAHLLOKOSA-N 1 3 312.502 2.088 20 0 DEADHO O[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)c1ccsc1 ZINC000231980437 402356612 /nfs/dbraw/zinc/35/66/12/402356612.db2.gz JPKZZURNNDSZMB-INIZCTEOSA-N 1 3 303.431 2.435 20 0 DEADHO C[C@@H](CNC(=O)C[C@@H](N)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000236716572 402377425 /nfs/dbraw/zinc/37/74/25/402377425.db2.gz XKZBVTDMXHNUER-DOTOQJQBSA-N 1 3 303.450 2.313 20 0 DEADHO CCCC[C@@H]([NH3+])C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000236730735 402378345 /nfs/dbraw/zinc/37/83/45/402378345.db2.gz WQNHPGNQKMFXPX-RHSMWYFYSA-N 1 3 318.465 2.241 20 0 DEADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000236764751 402381395 /nfs/dbraw/zinc/38/13/95/402381395.db2.gz CAVMVGHGYNPDTI-ZWKOTPCHSA-N 1 3 317.477 2.483 20 0 DEADHO CC(C)[C@H](N)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000236767522 402381596 /nfs/dbraw/zinc/38/15/96/402381596.db2.gz BTMXQXYOPQMPMT-KRWDZBQOSA-N 1 3 303.450 2.272 20 0 DEADHO COc1cccc([C@@H](C)[NH2+]CCCN2CCCN(C)CC2)c1 ZINC000177303038 402389006 /nfs/dbraw/zinc/38/90/06/402389006.db2.gz LZGKMUDFEMWURH-MRXNPFEDSA-N 1 3 305.466 2.373 20 0 DEADHO CN(C[C@@H]1CCCN(C)C1)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185185190 402331629 /nfs/dbraw/zinc/33/16/29/402331629.db2.gz OIKJQDIQXQMQOU-MRXNPFEDSA-N 1 3 324.513 2.092 20 0 DEADHO CN1CCC[C@H](CNC(=O)CC(C)(C)[NH3+])[C@@H]1c1cccs1 ZINC000237085398 402395065 /nfs/dbraw/zinc/39/50/65/402395065.db2.gz TXOMLFAAWDOXPU-IUODEOHRSA-N 1 3 309.479 2.375 20 0 DEADHO C[NH2+]C[C@@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000237260273 402401870 /nfs/dbraw/zinc/40/18/70/402401870.db2.gz GWXIZQUVWZUMHO-KRWDZBQOSA-N 1 3 315.461 2.354 20 0 DEADHO C[C@H]1CCN(C(=O)C2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000237546495 402412162 /nfs/dbraw/zinc/41/21/62/402412162.db2.gz YJXYQYIGBWWMSN-INIZCTEOSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@H](C[NH3+])CNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000237550120 402412402 /nfs/dbraw/zinc/41/24/02/402412402.db2.gz QUAQLDYGJPJVNB-CVEARBPZSA-N 1 3 317.477 2.041 20 0 DEADHO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1CCCCN1 ZINC000237967016 402429083 /nfs/dbraw/zinc/42/90/83/402429083.db2.gz UMXYRQAGOKOJTR-KRWDZBQOSA-N 1 3 301.434 2.406 20 0 DEADHO O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1CCCCN1 ZINC000238001998 402431025 /nfs/dbraw/zinc/43/10/25/402431025.db2.gz MBVCMSDZVDDFAT-MRXNPFEDSA-N 1 3 307.482 2.434 20 0 DEADHO O=C(CC1CC[NH2+]CC1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000238139682 402438877 /nfs/dbraw/zinc/43/88/77/402438877.db2.gz KTCZWVOKCBCHTN-SFHVURJKSA-N 1 3 315.461 2.157 20 0 DEADHO CN1CCC[C@@H](CNC(=O)C(C)(C)C[NH3+])[C@@H]1c1cccs1 ZINC000237079592 402394348 /nfs/dbraw/zinc/39/43/48/402394348.db2.gz PLOQNSBYFBIJOS-GXTWGEPZSA-N 1 3 309.479 2.232 20 0 DEADHO CC[C@@H](CNC(=O)[C@@H]([NH3+])CC(C)C)N1CCc2ccccc2C1 ZINC000164954170 402471156 /nfs/dbraw/zinc/47/11/56/402471156.db2.gz CUQGQBDALOJFKG-ROUUACIJSA-N 1 3 317.477 2.313 20 0 DEADHO CC[C@H](CNC(=O)[C@@H]([NH3+])CC(C)C)N1CCc2ccccc2C1 ZINC000164954278 402471416 /nfs/dbraw/zinc/47/14/16/402471416.db2.gz CUQGQBDALOJFKG-MSOLQXFVSA-N 1 3 317.477 2.313 20 0 DEADHO Cc1cc(C)cc(C[NH+]2CCC(C(=O)NCCN(C)C)CC2)c1 ZINC000170914588 402541287 /nfs/dbraw/zinc/54/12/87/402541287.db2.gz XHHIMJVUAFGJAG-UHFFFAOYSA-N 1 3 317.477 2.193 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](N)c2ccccc2)C1 ZINC000246754523 402543177 /nfs/dbraw/zinc/54/31/77/402543177.db2.gz XSRNIFHVDQCRDO-DOTOQJQBSA-N 1 3 303.450 2.267 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](N)c2ccccc2)C1 ZINC000246754523 402543180 /nfs/dbraw/zinc/54/31/80/402543180.db2.gz XSRNIFHVDQCRDO-DOTOQJQBSA-N 1 3 303.450 2.267 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CN1Cc1ccccc1 ZINC000178831366 402544506 /nfs/dbraw/zinc/54/45/06/402544506.db2.gz JHXVMGJPGKAEQX-BGTYHANMSA-N 1 3 315.461 2.283 20 0 DEADHO CCc1cccc(C[NH+]2CCC(C(=O)NCCN(C)C)CC2)c1 ZINC000189642043 402549373 /nfs/dbraw/zinc/54/93/73/402549373.db2.gz OSOBZSXZQGNGKF-UHFFFAOYSA-N 1 3 317.477 2.139 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000248489764 402593042 /nfs/dbraw/zinc/59/30/42/402593042.db2.gz NEILVTOELHUEJF-IRXDYDNUSA-N 1 3 324.513 2.425 20 0 DEADHO C=Cn1cc(C[NH2+][C@@H]2CCN(CCCOCC)C[C@@H]2C)cn1 ZINC000248993972 402617086 /nfs/dbraw/zinc/61/70/86/402617086.db2.gz OJTDPVUCCDBTQB-DOTOQJQBSA-N 1 3 306.454 2.210 20 0 DEADHO C[C@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)N1CCC[C@@H](C)C1 ZINC000249281001 402624979 /nfs/dbraw/zinc/62/49/79/402624979.db2.gz NMOMHKSRDKXFAW-HZPDHXFCSA-N 1 3 324.513 2.233 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000174180163 402730467 /nfs/dbraw/zinc/73/04/67/402730467.db2.gz YDXCVFFNIMFDPS-XHSDSOJGSA-N 1 3 309.498 2.486 20 0 DEADHO CCN1CCC[C@@H](NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000174239342 402733189 /nfs/dbraw/zinc/73/31/89/402733189.db2.gz HWZGUDJKDNIHJJ-IAGOWNOFSA-N 1 3 322.497 2.034 20 0 DEADHO CCN1CCC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000174239342 402733190 /nfs/dbraw/zinc/73/31/90/402733190.db2.gz HWZGUDJKDNIHJJ-IAGOWNOFSA-N 1 3 322.497 2.034 20 0 DEADHO CCC[C@@](C)(N)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000263274456 402753172 /nfs/dbraw/zinc/75/31/72/402753172.db2.gz PXIBLIKQAITGGO-QGZVFWFLSA-N 1 3 320.437 2.033 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000263671099 402789568 /nfs/dbraw/zinc/78/95/68/402789568.db2.gz GFTYNMFDVDTQGD-MRXNPFEDSA-N 1 3 315.461 2.240 20 0 DEADHO CCN1CCN(CCCC[NH2+][C@H](C)c2cncc(C)c2)CC1 ZINC000184277510 402832708 /nfs/dbraw/zinc/83/27/08/402832708.db2.gz RFLSMDJPQLPORT-QGZVFWFLSA-N 1 3 304.482 2.458 20 0 DEADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000272176839 402906152 /nfs/dbraw/zinc/90/61/52/402906152.db2.gz CTNHPUCFJIYXCV-CHWSQXEVSA-N 1 3 315.417 2.304 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000272176843 402906238 /nfs/dbraw/zinc/90/62/38/402906238.db2.gz CTNHPUCFJIYXCV-QWHCGFSZSA-N 1 3 315.417 2.304 20 0 DEADHO CN(C(=O)[C@@H]1CCCN1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000264966121 402893383 /nfs/dbraw/zinc/89/33/83/402893383.db2.gz BWBCJEWUWYJBOC-SFHVURJKSA-N 1 3 315.461 2.204 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C1CC[NH2+]CC1 ZINC000272482450 402942655 /nfs/dbraw/zinc/94/26/55/402942655.db2.gz RWOKIZPLHVSXCI-QAPCUYQASA-N 1 3 315.461 2.013 20 0 DEADHO CSc1ccccc1C[C@@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000272811704 402960755 /nfs/dbraw/zinc/96/07/55/402960755.db2.gz DEGGTZBFYUTAHB-CQSZACIVSA-N 1 3 308.491 2.386 20 0 DEADHO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000279777196 402961655 /nfs/dbraw/zinc/96/16/55/402961655.db2.gz SVUAKSHGUXPCEU-PKOBYXMFSA-N 1 3 319.493 2.380 20 0 DEADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000272255665 402915554 /nfs/dbraw/zinc/91/55/54/402915554.db2.gz MESFIHGERKQUPL-RHSMWYFYSA-N 1 3 301.434 2.092 20 0 DEADHO CN(CCCO)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000281650395 403078586 /nfs/dbraw/zinc/07/85/86/403078586.db2.gz BKYHPKWTJVTLFE-UHFFFAOYSA-N 1 3 305.466 2.031 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000275554932 403104987 /nfs/dbraw/zinc/10/49/87/403104987.db2.gz AJLFPOMQDZCPFC-HNNXBMFYSA-N 1 3 318.465 2.206 20 0 DEADHO CC(C)C(=O)NCCN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268707962 403108410 /nfs/dbraw/zinc/10/84/10/403108410.db2.gz FIDAJMIBEQEMID-WMZOPIPTSA-N 1 3 317.477 2.259 20 0 DEADHO CC(C)C(=O)NCCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268707962 403108412 /nfs/dbraw/zinc/10/84/12/403108412.db2.gz FIDAJMIBEQEMID-WMZOPIPTSA-N 1 3 317.477 2.259 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(OC)nc2)[C@@H](C)C1 ZINC000268780267 403113159 /nfs/dbraw/zinc/11/31/59/403113159.db2.gz XLDZVXKAYBDWBC-DOTOQJQBSA-N 1 3 321.465 2.317 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](NCCc2ccccn2)[C@@H](C)C1 ZINC000268721973 403109893 /nfs/dbraw/zinc/10/98/93/403109893.db2.gz OYHIWIRRBFBITL-WMZOPIPTSA-N 1 3 305.466 2.351 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](NCCc2ccccn2)[C@@H](C)C1 ZINC000268721973 403109894 /nfs/dbraw/zinc/10/98/94/403109894.db2.gz OYHIWIRRBFBITL-WMZOPIPTSA-N 1 3 305.466 2.351 20 0 DEADHO CC[N@@H+]1CC[C@@H](NCCNC(=O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000268806840 403116274 /nfs/dbraw/zinc/11/62/74/403116274.db2.gz HUEVGKYMWFSUKQ-CZUORRHYSA-N 1 3 323.868 2.390 20 0 DEADHO CC[N@H+]1CC[C@@H](NCCNC(=O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000268806840 403116275 /nfs/dbraw/zinc/11/62/75/403116275.db2.gz HUEVGKYMWFSUKQ-CZUORRHYSA-N 1 3 323.868 2.390 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CC2(N(C)C)Cc3ccccc3C2)CCN1C ZINC000268921854 403121236 /nfs/dbraw/zinc/12/12/36/403121236.db2.gz UYTGAHIHSONAQT-YJBOKZPZSA-N 1 3 301.478 2.158 20 0 DEADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282119333 403124613 /nfs/dbraw/zinc/12/46/13/403124613.db2.gz AQJDOPKABHIESY-WMZOPIPTSA-N 1 3 319.493 2.378 20 0 DEADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)C(C)(C)N)cc2)C1 ZINC000269278651 403127618 /nfs/dbraw/zinc/12/76/18/403127618.db2.gz YWTGUDLARWVSEO-ZDUSSCGKSA-N 1 3 305.422 2.083 20 0 DEADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)C(C)(C)N)cc2)C1 ZINC000269278651 403127619 /nfs/dbraw/zinc/12/76/19/403127619.db2.gz YWTGUDLARWVSEO-ZDUSSCGKSA-N 1 3 305.422 2.083 20 0 DEADHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1cccc(O)c1 ZINC000282263054 403137586 /nfs/dbraw/zinc/13/75/86/403137586.db2.gz KBFATPJAHYLDFS-KKXDTOCCSA-N 1 3 304.434 2.421 20 0 DEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCC2(C)C)cc1 ZINC000284358189 403265982 /nfs/dbraw/zinc/26/59/82/403265982.db2.gz NRFNVPSXTLRNOI-INIZCTEOSA-N 1 3 303.450 2.256 20 0 DEADHO COCc1ccc(CN2CCC(OCC[NH+](C)C)CC2)cc1 ZINC000338993682 403313303 /nfs/dbraw/zinc/31/33/03/403313303.db2.gz WYNGKGLTGDSTFF-UHFFFAOYSA-N 1 3 306.450 2.376 20 0 DEADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)C1 ZINC000285723927 403365525 /nfs/dbraw/zinc/36/55/25/403365525.db2.gz QGYGAYLYBOPWFA-STQMWFEESA-N 1 3 303.406 2.010 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000342764850 403341905 /nfs/dbraw/zinc/34/19/05/403341905.db2.gz KHECOGCSLRXYDA-RYQLBKOJSA-N 1 3 315.461 2.155 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)N(C)C ZINC000298634541 403429749 /nfs/dbraw/zinc/42/97/49/403429749.db2.gz QUONULMQIHEUQF-CGTJXYLNSA-N 1 3 317.477 2.353 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)N(C)C ZINC000298634541 403429753 /nfs/dbraw/zinc/42/97/53/403429753.db2.gz QUONULMQIHEUQF-CGTJXYLNSA-N 1 3 317.477 2.353 20 0 DEADHO c1c(CNC2CCN(c3cc[nH+]cc3)CC2)nc2ccccn12 ZINC000298538316 403407405 /nfs/dbraw/zinc/40/74/05/403407405.db2.gz STZVIZFYLFVACQ-UHFFFAOYSA-N 1 3 307.401 2.488 20 0 DEADHO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000339950220 403503511 /nfs/dbraw/zinc/50/35/11/403503511.db2.gz YYBCDPIKQSDXMD-DOTOQJQBSA-N 1 3 320.481 2.319 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000346691056 403598532 /nfs/dbraw/zinc/59/85/32/403598532.db2.gz UYANBDBXKGPIEG-HZPDHXFCSA-N 1 3 307.482 2.336 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000346691056 403598536 /nfs/dbraw/zinc/59/85/36/403598536.db2.gz UYANBDBXKGPIEG-HZPDHXFCSA-N 1 3 307.482 2.336 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC(CN2CCOCC2)CC1 ZINC000340286013 403575902 /nfs/dbraw/zinc/57/59/02/403575902.db2.gz KHFBVYWIMXMOEW-LJQANCHMSA-N 1 3 323.525 2.294 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1CN1CCC(CN2CCOCC2)CC1 ZINC000340286013 403575908 /nfs/dbraw/zinc/57/59/08/403575908.db2.gz KHFBVYWIMXMOEW-LJQANCHMSA-N 1 3 323.525 2.294 20 0 DEADHO CC(C)N1CCCC[C@@H]1C[NH+]1CCC(CN2CCOCC2)CC1 ZINC000340286013 403575913 /nfs/dbraw/zinc/57/59/13/403575913.db2.gz KHFBVYWIMXMOEW-LJQANCHMSA-N 1 3 323.525 2.294 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC(N2CCO[C@H](C)C2)CC1 ZINC000340278363 403575939 /nfs/dbraw/zinc/57/59/39/403575939.db2.gz GMZQRXQKYKWZRO-IEBWSBKVSA-N 1 3 323.525 2.434 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1CN1CCC(N2CCO[C@H](C)C2)CC1 ZINC000340278363 403575941 /nfs/dbraw/zinc/57/59/41/403575941.db2.gz GMZQRXQKYKWZRO-IEBWSBKVSA-N 1 3 323.525 2.434 20 0 DEADHO CC(C)N1CCCC[C@@H]1C[NH+]1CCC(N2CCO[C@H](C)C2)CC1 ZINC000340278363 403575945 /nfs/dbraw/zinc/57/59/45/403575945.db2.gz GMZQRXQKYKWZRO-IEBWSBKVSA-N 1 3 323.525 2.434 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N2CCN([C@H]3C[C@@H]3C)C[C@H](C)C2)CC1 ZINC000346193288 403578867 /nfs/dbraw/zinc/57/88/67/403578867.db2.gz PGJSQGYZXMRGRX-BQFCYCMXSA-N 1 3 321.509 2.296 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)CC1 ZINC000346193295 403578932 /nfs/dbraw/zinc/57/89/32/403578932.db2.gz PGJSQGYZXMRGRX-LZLYRXPVSA-N 1 3 321.509 2.296 20 0 DEADHO Cn1nccc1[C@@H]1OCC[C@H]1C[N@@H+]1CCCC12CCN(C)CC2 ZINC000343538613 403629099 /nfs/dbraw/zinc/62/90/99/403629099.db2.gz FHCZQDFDNMGFMB-DOTOQJQBSA-N 1 3 318.465 2.058 20 0 DEADHO Cn1nccc1[C@@H]1OCC[C@H]1C[N@H+]1CCCC12CCN(C)CC2 ZINC000343538613 403629100 /nfs/dbraw/zinc/62/91/00/403629100.db2.gz FHCZQDFDNMGFMB-DOTOQJQBSA-N 1 3 318.465 2.058 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC000343598106 403657072 /nfs/dbraw/zinc/65/70/72/403657072.db2.gz HZZPXOMKBFNGRU-QGZVFWFLSA-N 1 3 303.450 2.352 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC000343598106 403657074 /nfs/dbraw/zinc/65/70/74/403657074.db2.gz HZZPXOMKBFNGRU-QGZVFWFLSA-N 1 3 303.450 2.352 20 0 DEADHO C[C@H]1C[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCN1C ZINC000340866384 403679460 /nfs/dbraw/zinc/67/94/60/403679460.db2.gz GBBKUTPFRUDJBU-QWHCGFSZSA-N 1 3 310.486 2.078 20 0 DEADHO CCN1CC[C@H]([NH2+]CC(C)(C)N2CCC(OC)CC2)[C@H](C)C1 ZINC000347419629 403702810 /nfs/dbraw/zinc/70/28/10/403702810.db2.gz CCIHNWPIICAZQH-WBVHZDCISA-N 1 3 311.514 2.196 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CCN(C)[C@H](C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000340935089 403704554 /nfs/dbraw/zinc/70/45/54/403704554.db2.gz HCJIMRBFFVLHOU-ZJIFWQFVSA-N 1 3 310.486 2.031 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CCN(C)[C@H](C)C1)[N@H+]1CCCC[C@@H]1C ZINC000340935089 403704557 /nfs/dbraw/zinc/70/45/57/403704557.db2.gz HCJIMRBFFVLHOU-ZJIFWQFVSA-N 1 3 310.486 2.031 20 0 DEADHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C3(N)CCC3)cc2)C1 ZINC000295116714 403764766 /nfs/dbraw/zinc/76/47/66/403764766.db2.gz MNEIAISLCARVHO-CQSZACIVSA-N 1 3 317.433 2.227 20 0 DEADHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C3(N)CCC3)cc2)C1 ZINC000295116714 403764769 /nfs/dbraw/zinc/76/47/69/403764769.db2.gz MNEIAISLCARVHO-CQSZACIVSA-N 1 3 317.433 2.227 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)Nc2ccc3c(c2F)CCNC3)CC[N@@H+]1C ZINC000333387139 403740333 /nfs/dbraw/zinc/74/03/33/403740333.db2.gz WYCWPHSMVXDRND-DGCLKSJQSA-N 1 3 320.412 2.076 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)Nc2ccc3c(c2F)CCNC3)CC[N@H+]1C ZINC000333387139 403740334 /nfs/dbraw/zinc/74/03/34/403740334.db2.gz WYCWPHSMVXDRND-DGCLKSJQSA-N 1 3 320.412 2.076 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NCC[NH2+]C2CCCCCC2)CCN1C ZINC000333404261 403744729 /nfs/dbraw/zinc/74/47/29/403744729.db2.gz QJPQWMQKJSBXJK-ZBFHGGJFSA-N 1 3 310.486 2.081 20 0 DEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000343957773 403808816 /nfs/dbraw/zinc/80/88/16/403808816.db2.gz FUJVNLOSMHEBOA-NNXHMXCWSA-N 1 3 324.513 2.135 20 0 DEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000343957773 403808821 /nfs/dbraw/zinc/80/88/21/403808821.db2.gz FUJVNLOSMHEBOA-NNXHMXCWSA-N 1 3 324.513 2.135 20 0 DEADHO NCc1cn([C@H]2CCC[N@@H+]([C@@H]3CCc4ccc(F)cc43)C2)nn1 ZINC000333681732 403813477 /nfs/dbraw/zinc/81/34/77/403813477.db2.gz OXLOBIVKWYINLA-DOTOQJQBSA-N 1 3 315.396 2.200 20 0 DEADHO NCc1cn([C@H]2CCC[N@H+]([C@@H]3CCc4ccc(F)cc43)C2)nn1 ZINC000333681732 403813481 /nfs/dbraw/zinc/81/34/81/403813481.db2.gz OXLOBIVKWYINLA-DOTOQJQBSA-N 1 3 315.396 2.200 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CCN1C ZINC000341202484 403827718 /nfs/dbraw/zinc/82/77/18/403827718.db2.gz MPJMTWURSOCKEV-DJIMGWMZSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCN1C ZINC000341202484 403827723 /nfs/dbraw/zinc/82/77/23/403827723.db2.gz MPJMTWURSOCKEV-DJIMGWMZSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CCN1C ZINC000341202505 403828637 /nfs/dbraw/zinc/82/86/37/403828637.db2.gz MSHAQTOGHONOEE-HZPDHXFCSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N2CCC[N@H+](C3CCCC3)CC2)CCN1C ZINC000341202505 403828645 /nfs/dbraw/zinc/82/86/45/403828645.db2.gz MSHAQTOGHONOEE-HZPDHXFCSA-N 1 3 322.497 2.129 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000343897581 403781568 /nfs/dbraw/zinc/78/15/68/403781568.db2.gz XDWRQMXRMPKPED-QGZVFWFLSA-N 1 3 303.450 2.096 20 0 DEADHO C[C@@H](NCc1ccncc1OCCC[NH+](C)C)[C@@H]1CCCOC1 ZINC000344011544 403842864 /nfs/dbraw/zinc/84/28/64/403842864.db2.gz DSSNPDRRRJQAST-NVXWUHKLSA-N 1 3 321.465 2.317 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN[C@H](C)c2ccc(C)cc2)CC1 ZINC000411448851 403861531 /nfs/dbraw/zinc/86/15/31/403861531.db2.gz CQRWGBWPSHOKAX-OAHLLOKOSA-N 1 3 303.450 2.246 20 0 DEADHO C[NH+](C)CCOc1cnccc1CN[C@@H]1CC(C)(C)OC1(C)C ZINC000344037196 403864912 /nfs/dbraw/zinc/86/49/12/403864912.db2.gz IIEUOVOSUHUOSC-MRXNPFEDSA-N 1 3 321.465 2.458 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000361793334 403869252 /nfs/dbraw/zinc/86/92/52/403869252.db2.gz WYUJJQZVAJAWLN-IXDOHACOSA-N 1 3 324.513 2.375 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000361793334 403869256 /nfs/dbraw/zinc/86/92/56/403869256.db2.gz WYUJJQZVAJAWLN-IXDOHACOSA-N 1 3 324.513 2.375 20 0 DEADHO C[C@@H]([NH3+])[C@H]1CCN(CCC(=O)NCc2ccccc2Cl)C1 ZINC000351854347 403963224 /nfs/dbraw/zinc/96/32/24/403963224.db2.gz QMGNONDKJOVICI-OCCSQVGLSA-N 1 3 309.841 2.015 20 0 DEADHO CCC1(CC)[C@H](NC[C@@H](O)C[NH+]2CCC(C)CC2)C[C@H]1OC ZINC000344107071 403915106 /nfs/dbraw/zinc/91/51/06/403915106.db2.gz RCTTUBUOYUZKSS-BRWVUGGUSA-N 1 3 312.498 2.263 20 0 DEADHO CC[C@H]1CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000368956276 403915991 /nfs/dbraw/zinc/91/59/91/403915991.db2.gz LACOONGAZYZTFL-INIZCTEOSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)[C@H](CNC(=O)N1CCCN(C)CC1)[NH+]1CCC(C)CC1 ZINC000337334845 403980593 /nfs/dbraw/zinc/98/05/93/403980593.db2.gz LGAHEEIVXSFJIA-KRWDZBQOSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H](O)CCC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000354818368 404033514 /nfs/dbraw/zinc/03/35/14/404033514.db2.gz LEECDJAQPPOSGO-ULQDDVLXSA-N 1 3 312.498 2.359 20 0 DEADHO CCN1CCC(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[C@H](C)C2)CC1 ZINC000411860626 403996398 /nfs/dbraw/zinc/99/63/98/403996398.db2.gz DYDYLAFXVZBSJR-HRCADAONSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000344240298 404001852 /nfs/dbraw/zinc/00/18/52/404001852.db2.gz BZIMABYRYNDSGQ-CRAIPNDOSA-N 1 3 315.461 2.280 20 0 DEADHO CO[C@@](C)([C@@H](C)[NH2+]CCCN1CCN(C(C)C)CC1)C1CC1 ZINC000411967534 404035722 /nfs/dbraw/zinc/03/57/22/404035722.db2.gz IDZIOEDMILLOJO-AEFFLSMTSA-N 1 3 311.514 2.196 20 0 DEADHO CC[NH+](CC)CCO[C@@H]1CCN(CCc2scnc2C)C1 ZINC000352013475 404077225 /nfs/dbraw/zinc/07/72/25/404077225.db2.gz JBESKLIWKMANIP-OAHLLOKOSA-N 1 3 311.495 2.427 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000290242124 404095453 /nfs/dbraw/zinc/09/54/53/404095453.db2.gz VOARLHSSLYWZJO-UBDQQSCGSA-N 1 3 315.461 2.154 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000290242118 404095565 /nfs/dbraw/zinc/09/55/65/404095565.db2.gz VOARLHSSLYWZJO-RANZSIQMSA-N 1 3 315.461 2.154 20 0 DEADHO CN(CCc1cncn1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290103008 404041413 /nfs/dbraw/zinc/04/14/13/404041413.db2.gz SCWSXUYIFRGXAH-SFHVURJKSA-N 1 3 312.461 2.417 20 0 DEADHO CN(CCc1cncn1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290103008 404041417 /nfs/dbraw/zinc/04/14/17/404041417.db2.gz SCWSXUYIFRGXAH-SFHVURJKSA-N 1 3 312.461 2.417 20 0 DEADHO Cn1cncc1CC[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000290103008 404041423 /nfs/dbraw/zinc/04/14/23/404041423.db2.gz SCWSXUYIFRGXAH-SFHVURJKSA-N 1 3 312.461 2.417 20 0 DEADHO Cn1cncc1CC[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000290103008 404041427 /nfs/dbraw/zinc/04/14/27/404041427.db2.gz SCWSXUYIFRGXAH-SFHVURJKSA-N 1 3 312.461 2.417 20 0 DEADHO CCc1cccc(OC[C@@H](O)C[NH2+]C[C@@H](C)CN2CCCC2)c1 ZINC000320724540 404069337 /nfs/dbraw/zinc/06/93/37/404069337.db2.gz MMVQHLKACNJJOD-AEFFLSMTSA-N 1 3 320.477 2.310 20 0 DEADHO CCc1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000320910890 404071606 /nfs/dbraw/zinc/07/16/06/404071606.db2.gz DBIIEOYZNVDWDW-SJLPKXTDSA-N 1 3 318.461 2.063 20 0 DEADHO CCc1cccc(OC[C@H](O)CNC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000320910890 404071619 /nfs/dbraw/zinc/07/16/19/404071619.db2.gz DBIIEOYZNVDWDW-SJLPKXTDSA-N 1 3 318.461 2.063 20 0 DEADHO CCc1cccc(OC[C@H](O)CNC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000320910890 404071627 /nfs/dbraw/zinc/07/16/27/404071627.db2.gz DBIIEOYZNVDWDW-SJLPKXTDSA-N 1 3 318.461 2.063 20 0 DEADHO CC(C)(CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCCCC1 ZINC000337580086 404111076 /nfs/dbraw/zinc/11/10/76/404111076.db2.gz NARKOVRHXYUSFU-HOTGVXAUSA-N 1 3 322.497 2.177 20 0 DEADHO CC(C)(CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)N1CCCCC1 ZINC000337580086 404111085 /nfs/dbraw/zinc/11/10/85/404111085.db2.gz NARKOVRHXYUSFU-HOTGVXAUSA-N 1 3 322.497 2.177 20 0 DEADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000290264631 404105199 /nfs/dbraw/zinc/10/51/99/404105199.db2.gz VPDIUMLDGMLISU-IRXDYDNUSA-N 1 3 319.449 2.200 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000352139629 404170002 /nfs/dbraw/zinc/17/00/02/404170002.db2.gz GQLKZWDYOYVSQJ-QZTJIDSGSA-N 1 3 317.477 2.211 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000352139629 404170005 /nfs/dbraw/zinc/17/00/05/404170005.db2.gz GQLKZWDYOYVSQJ-QZTJIDSGSA-N 1 3 317.477 2.211 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000349952608 404271194 /nfs/dbraw/zinc/27/11/94/404271194.db2.gz QLALIHLZWXENBF-RDJZCZTQSA-N 1 3 322.497 2.177 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000349952608 404271199 /nfs/dbraw/zinc/27/11/99/404271199.db2.gz QLALIHLZWXENBF-RDJZCZTQSA-N 1 3 322.497 2.177 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H](C)[NH2+]C1CC1)c1ccsc1 ZINC000296489181 404272900 /nfs/dbraw/zinc/27/29/00/404272900.db2.gz QLOBHHJPFAOQNC-SWLSCSKDSA-N 1 3 309.479 2.388 20 0 DEADHO CCN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCC1 ZINC000349964708 404276365 /nfs/dbraw/zinc/27/63/65/404276365.db2.gz KRHJAGXFPDYMAG-UHFFFAOYSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H](CC[NH3+])NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000349983116 404284517 /nfs/dbraw/zinc/28/45/17/404284517.db2.gz APDAZBONQMTXPK-CVEARBPZSA-N 1 3 317.477 2.183 20 0 DEADHO C[C@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)CCN(C2CCC2)C1 ZINC000344716563 404327784 /nfs/dbraw/zinc/32/77/84/404327784.db2.gz STRCKVRCQQKOSR-OAHLLOKOSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@@H](Cc1ccc(O)cc1)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000352389053 404335455 /nfs/dbraw/zinc/33/54/55/404335455.db2.gz ZGRXZJVFDKWWAI-MAUKXSAKSA-N 1 3 306.450 2.006 20 0 DEADHO CC[NH+](CC)CCOCCNCc1cnc2c(C)cccn12 ZINC000350271342 404359277 /nfs/dbraw/zinc/35/92/77/404359277.db2.gz VAYNBYCXOSRKJD-UHFFFAOYSA-N 1 3 304.438 2.091 20 0 DEADHO COCCOCc1ccc(CN[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000342183200 404426809 /nfs/dbraw/zinc/42/68/09/404426809.db2.gz BEURJKTUIIKKFR-QAPCUYQASA-N 1 3 306.450 2.279 20 0 DEADHO COCCOCc1ccc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000342183200 404426817 /nfs/dbraw/zinc/42/68/17/404426817.db2.gz BEURJKTUIIKKFR-QAPCUYQASA-N 1 3 306.450 2.279 20 0 DEADHO Cc1cc(N2CCC(C)(CN3CCN(C)CC3)CC2)cc[nH+]1 ZINC000364365871 404369248 /nfs/dbraw/zinc/36/92/48/404369248.db2.gz SYNJMMREDQCBSF-UHFFFAOYSA-N 1 3 302.466 2.244 20 0 DEADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC(C)(C)OCCO)CC2)C1 ZINC000352488755 404407024 /nfs/dbraw/zinc/40/70/24/404407024.db2.gz UEQBSCRRHBWVAB-WBVHZDCISA-N 1 3 312.498 2.407 20 0 DEADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CC(C)(C)OCCO)CC2)C1 ZINC000352488755 404407028 /nfs/dbraw/zinc/40/70/28/404407028.db2.gz UEQBSCRRHBWVAB-WBVHZDCISA-N 1 3 312.498 2.407 20 0 DEADHO C[C@@H](NCCc1ccc(OCC[NH+](C)C)cc1)c1ccn(C)n1 ZINC000414112476 404516587 /nfs/dbraw/zinc/51/65/87/404516587.db2.gz JVZBZUFWQTVGLX-OAHLLOKOSA-N 1 3 316.449 2.254 20 0 DEADHO C[C@H]1CN(C2CCN(CC[C@@H]3CCCC[N@@H+]3C)CC2)CCO1 ZINC000351225420 404532204 /nfs/dbraw/zinc/53/22/04/404532204.db2.gz LMWSJRLJORJNJH-IRXDYDNUSA-N 1 3 309.498 2.046 20 0 DEADHO C[C@H]1CN(C2CCN(CC[C@@H]3CCCC[N@H+]3C)CC2)CCO1 ZINC000351225420 404532210 /nfs/dbraw/zinc/53/22/10/404532210.db2.gz LMWSJRLJORJNJH-IRXDYDNUSA-N 1 3 309.498 2.046 20 0 DEADHO C[C@H]1CN(C2CC[NH+](CC[C@@H]3CCCCN3C)CC2)CCO1 ZINC000351225420 404532216 /nfs/dbraw/zinc/53/22/16/404532216.db2.gz LMWSJRLJORJNJH-IRXDYDNUSA-N 1 3 309.498 2.046 20 0 DEADHO CCC[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)C1CCC1 ZINC000414183438 404540372 /nfs/dbraw/zinc/54/03/72/404540372.db2.gz DUPNPZYUXHCPTH-SFHVURJKSA-N 1 3 323.525 2.341 20 0 DEADHO CN(CCN(C)C1CC1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000373505673 404546311 /nfs/dbraw/zinc/54/63/11/404546311.db2.gz VBCAJUMOLUVXIX-HNNXBMFYSA-N 1 3 307.482 2.194 20 0 DEADHO CN(CCN(C)C1CC1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000373505673 404546316 /nfs/dbraw/zinc/54/63/16/404546316.db2.gz VBCAJUMOLUVXIX-HNNXBMFYSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)C1CCCCC1 ZINC000414207196 404548517 /nfs/dbraw/zinc/54/85/17/404548517.db2.gz ZHMXPYNLQQGNET-KRWDZBQOSA-N 1 3 323.525 2.341 20 0 DEADHO CC(C)N1CCN(C2CC[NH+](C[C@H]3CC[C@@H](C)O3)CC2)CC1 ZINC000373694144 404559163 /nfs/dbraw/zinc/55/91/63/404559163.db2.gz DYSJCFVEIXMBDE-SJLPKXTDSA-N 1 3 309.498 2.044 20 0 DEADHO NC(=O)C1CCN(Cc2ccc(C[NH2+]C3CCCC3)cc2)CC1 ZINC000414331956 404580288 /nfs/dbraw/zinc/58/02/88/404580288.db2.gz USALGHKYXURLQS-UHFFFAOYSA-N 1 3 315.461 2.416 20 0 DEADHO C[N@H+](CCCCNCc1ccc(S(C)(=O)=O)s1)C1CC1 ZINC000414459491 404640030 /nfs/dbraw/zinc/64/00/30/404640030.db2.gz LNBLYVMNRQCVRZ-UHFFFAOYSA-N 1 3 316.492 2.116 20 0 DEADHO C[N@@H+](CCCCNCc1ccc(S(C)(=O)=O)s1)C1CC1 ZINC000414459491 404640036 /nfs/dbraw/zinc/64/00/36/404640036.db2.gz LNBLYVMNRQCVRZ-UHFFFAOYSA-N 1 3 316.492 2.116 20 0 DEADHO C[N@H+](C[C@H](O)CN1CCC[C@H](Cc2ccccc2)C1)C1CC1 ZINC000351487226 404598276 /nfs/dbraw/zinc/59/82/76/404598276.db2.gz BUJCVBYCMWSQBJ-MJGOQNOKSA-N 1 3 302.462 2.396 20 0 DEADHO C[N@@H+](C[C@H](O)CN1CCC[C@H](Cc2ccccc2)C1)C1CC1 ZINC000351487226 404598283 /nfs/dbraw/zinc/59/82/83/404598283.db2.gz BUJCVBYCMWSQBJ-MJGOQNOKSA-N 1 3 302.462 2.396 20 0 DEADHO c1ccc2c(c1)OC[C@H](CCN[C@@H]1CC[N@@H+]3CCC[C@H]3C1)O2 ZINC000414384327 404605829 /nfs/dbraw/zinc/60/58/29/404605829.db2.gz VLTACPWWSQOERB-PMPSAXMXSA-N 1 3 302.418 2.433 20 0 DEADHO c1ccc2c(c1)OC[C@H](CCN[C@@H]1CC[N@H+]3CCC[C@H]3C1)O2 ZINC000414384327 404605834 /nfs/dbraw/zinc/60/58/34/404605834.db2.gz VLTACPWWSQOERB-PMPSAXMXSA-N 1 3 302.418 2.433 20 0 DEADHO [NH3+]C1(CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CCC1 ZINC000342616278 404679785 /nfs/dbraw/zinc/67/97/85/404679785.db2.gz HPWQYMUPFJRLJU-HNNXBMFYSA-N 1 3 319.424 2.035 20 0 DEADHO c1cc(C[N@@H+]2CCCOCC2)ccc1CN1CCCOCC1 ZINC000374027422 404672091 /nfs/dbraw/zinc/67/20/91/404672091.db2.gz PQDNHUYWVKLCCJ-UHFFFAOYSA-N 1 3 304.434 2.131 20 0 DEADHO c1cc(C[N@H+]2CCCOCC2)ccc1CN1CCCOCC1 ZINC000374027422 404672094 /nfs/dbraw/zinc/67/20/94/404672094.db2.gz PQDNHUYWVKLCCJ-UHFFFAOYSA-N 1 3 304.434 2.131 20 0 DEADHO C[C@H]1C[C@@H](CN2CCN(C(=O)CCC3CCCC3)CC2)CC[NH2+]1 ZINC000414676460 404705745 /nfs/dbraw/zinc/70/57/45/404705745.db2.gz NKSJMRYCLMNBFF-WMZOPIPTSA-N 1 3 321.509 2.489 20 0 DEADHO CC[N@@H+](Cc1ccccc1Cl)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414678386 404706980 /nfs/dbraw/zinc/70/69/80/404706980.db2.gz QPGVPCHZBPZMOG-CQSZACIVSA-N 1 3 323.868 2.359 20 0 DEADHO CC[N@H+](Cc1ccccc1Cl)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414678386 404706982 /nfs/dbraw/zinc/70/69/82/404706982.db2.gz QPGVPCHZBPZMOG-CQSZACIVSA-N 1 3 323.868 2.359 20 0 DEADHO CCC(CC)NC(=O)[C@@H](C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374162839 404700119 /nfs/dbraw/zinc/70/01/19/404700119.db2.gz OLJANQBSJNRVSL-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO Fc1ccc(-n2cc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)cn2)cc1 ZINC000414771149 404729516 /nfs/dbraw/zinc/72/95/16/404729516.db2.gz QFIDGYRJPVSPRA-IYBDPMFKSA-N 1 3 314.408 2.443 20 0 DEADHO Fc1ccc(CCN2CCC(NC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000414845020 404748092 /nfs/dbraw/zinc/74/80/92/404748092.db2.gz LKPWPXIKIQZOHT-SFHVURJKSA-N 1 3 305.441 2.174 20 0 DEADHO C[C@H](CC(=O)NCCc1ccccc1)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414858382 404750211 /nfs/dbraw/zinc/75/02/11/404750211.db2.gz RSJWJRZGPIUYMJ-JFIYKMOQSA-N 1 3 317.477 2.102 20 0 DEADHO CNCCC[NH2+][C@H](C)CCCCN1C(=O)c2ccccc2C1=O ZINC000414860625 404750844 /nfs/dbraw/zinc/75/08/44/404750844.db2.gz PWTPGADEUNTILT-CQSZACIVSA-N 1 3 317.433 2.041 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)C1=CCN(C)CC1)[NH+]1CCCCC1 ZINC000358377985 404760565 /nfs/dbraw/zinc/76/05/65/404760565.db2.gz MZRNNIGUPMHWCN-WBVHZDCISA-N 1 3 307.482 2.264 20 0 DEADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@H](N)C1CC1 ZINC000414895088 404761038 /nfs/dbraw/zinc/76/10/38/404761038.db2.gz VWRDRTBJEWJAIT-ZDUSSCGKSA-N 1 3 318.373 2.055 20 0 DEADHO CC(C)(C)C(=O)N1CCC(NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000414924481 404767607 /nfs/dbraw/zinc/76/76/07/404767607.db2.gz HFNIVHVWFXNXQZ-HNNXBMFYSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)C[C@@H]1CCCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414714353 404714706 /nfs/dbraw/zinc/71/47/06/404714706.db2.gz VKCCBLIYINAZAV-IRXDYDNUSA-N 1 3 309.498 2.474 20 0 DEADHO CC(C)C[C@@H]1CCCCC[N@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414714353 404714708 /nfs/dbraw/zinc/71/47/08/404714708.db2.gz VKCCBLIYINAZAV-IRXDYDNUSA-N 1 3 309.498 2.474 20 0 DEADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1ccc(C2CC2)cc1 ZINC000414761269 404726416 /nfs/dbraw/zinc/72/64/16/404726416.db2.gz IOOIHAIDRVFWRF-GOSISDBHSA-N 1 3 315.461 2.384 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)N[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414959715 404777316 /nfs/dbraw/zinc/77/73/16/404777316.db2.gz XNKZUFGRFXHWHY-YDHLFZDLSA-N 1 3 305.422 2.142 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCN[C@@H](C)C2)c1 ZINC000414959715 404777318 /nfs/dbraw/zinc/77/73/18/404777318.db2.gz XNKZUFGRFXHWHY-YDHLFZDLSA-N 1 3 305.422 2.142 20 0 DEADHO COCC1(CNCc2c(Cl)cccc2OC)CC[NH2+]CC1 ZINC000414973744 404779482 /nfs/dbraw/zinc/77/94/82/404779482.db2.gz LNMUUEDHHGFJRJ-UHFFFAOYSA-N 1 3 312.841 2.454 20 0 DEADHO c1cnn(CCN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000377338593 404836292 /nfs/dbraw/zinc/83/62/92/404836292.db2.gz ZILWHRMQBIKWGJ-OALUTQOASA-N 1 3 310.445 2.337 20 0 DEADHO c1cnn(CCN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000377338593 404836294 /nfs/dbraw/zinc/83/62/94/404836294.db2.gz ZILWHRMQBIKWGJ-OALUTQOASA-N 1 3 310.445 2.337 20 0 DEADHO Cc1ccc(F)cc1CNC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414994575 404782912 /nfs/dbraw/zinc/78/29/12/404782912.db2.gz VOONIDQRXPNWTC-CQSZACIVSA-N 1 3 319.346 2.060 20 0 DEADHO Cn1ncc(Br)c1CNC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415021134 404789556 /nfs/dbraw/zinc/78/95/56/404789556.db2.gz HKEJJOOPUNHMPV-XYPYZODXSA-N 1 3 315.259 2.037 20 0 DEADHO C[C@@H](CCC[NH3+])NCc1cc2c(cc1OC(F)F)OCO2 ZINC000415026626 404790149 /nfs/dbraw/zinc/79/01/49/404790149.db2.gz UZZVCRCKMUEIFV-VIFPVBQESA-N 1 3 302.321 2.234 20 0 DEADHO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000415076007 404802098 /nfs/dbraw/zinc/80/20/98/404802098.db2.gz CECGGURTOXZZGD-OAGGEKHMSA-N 1 3 309.498 2.378 20 0 DEADHO COc1ccccc1N1CCC(NC[C@@]2(C)CC[NH2+]C2)CC1 ZINC000415076553 404802299 /nfs/dbraw/zinc/80/22/99/404802299.db2.gz CVEKTBZMKBXEEA-SFHVURJKSA-N 1 3 303.450 2.253 20 0 DEADHO C[C@H](C[C@H]1CCC[NH2+]1)N[C@H](CO)Cc1c[nH]c2ccccc12 ZINC000415090018 404805000 /nfs/dbraw/zinc/80/50/00/404805000.db2.gz ZOIDFPBTRMNNBH-BMFZPTHFSA-N 1 3 301.434 2.192 20 0 DEADHO COc1ccc(-n2ccc(CNC[C@H]3CC[NH2+][C@H](C)C3)n2)cc1 ZINC000415097725 404807110 /nfs/dbraw/zinc/80/71/10/404807110.db2.gz DFAVGOVECCIUCP-CABCVRRESA-N 1 3 314.433 2.359 20 0 DEADHO CN(C)c1ccccc1CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415115923 404810806 /nfs/dbraw/zinc/81/08/06/404810806.db2.gz AOSHWLWEIVRGMQ-PKOBYXMFSA-N 1 3 317.477 2.471 20 0 DEADHO [NH3+]Cc1cn([C@@H]2CCCN(C/C=C/c3ccc(F)cc3)C2)nn1 ZINC000415124235 404813156 /nfs/dbraw/zinc/81/31/56/404813156.db2.gz KAEGICMRWBFHMF-XKKXFUJGSA-N 1 3 315.396 2.226 20 0 DEADHO NCc1cn([C@@H]2CCC[N@H+](C/C=C/c3ccc(F)cc3)C2)nn1 ZINC000415124235 404813160 /nfs/dbraw/zinc/81/31/60/404813160.db2.gz KAEGICMRWBFHMF-XKKXFUJGSA-N 1 3 315.396 2.226 20 0 DEADHO NCc1cn([C@@H]2CCC[N@@H+](C/C=C/c3ccc(F)cc3)C2)nn1 ZINC000415124235 404813164 /nfs/dbraw/zinc/81/31/64/404813164.db2.gz KAEGICMRWBFHMF-XKKXFUJGSA-N 1 3 315.396 2.226 20 0 DEADHO CCOc1ccccc1CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415126877 404814265 /nfs/dbraw/zinc/81/42/65/404814265.db2.gz HDWILNXHWXGZKN-SJORKVTESA-N 1 3 316.445 2.286 20 0 DEADHO Cn1nccc1N1CCC[C@@H](NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000376468349 404823289 /nfs/dbraw/zinc/82/32/89/404823289.db2.gz KJUXPSQGRHGIRH-MRXNPFEDSA-N 1 3 319.497 2.241 20 0 DEADHO CCC[C@](C)([NH3+])C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000353440297 404831538 /nfs/dbraw/zinc/83/15/38/404831538.db2.gz NKSSUVMSRPZBSF-ZVZYQTTQSA-N 1 3 303.450 2.456 20 0 DEADHO CSC1(C[N@H+](C)[C@@H]2CCN(C3CCN(C)CC3)C2)CCC1 ZINC000378132983 404873416 /nfs/dbraw/zinc/87/34/16/404873416.db2.gz QVFKQMAWCUXIJF-MRXNPFEDSA-N 1 3 311.539 2.372 20 0 DEADHO CSC1(C[N@@H+](C)[C@@H]2CCN(C3CCN(C)CC3)C2)CCC1 ZINC000378132983 404873421 /nfs/dbraw/zinc/87/34/21/404873421.db2.gz QVFKQMAWCUXIJF-MRXNPFEDSA-N 1 3 311.539 2.372 20 0 DEADHO CN1CC[C@H]([NH2+]Cc2cccc(N3CCC3=O)c2)[C@H]2CCC[C@@H]21 ZINC000353589484 404874029 /nfs/dbraw/zinc/87/40/29/404874029.db2.gz GTETXARGLHENJG-SQNIBIBYSA-N 1 3 313.445 2.386 20 0 DEADHO C[NH2+]C[C@@H](C)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000423833845 404880637 /nfs/dbraw/zinc/88/06/37/404880637.db2.gz BWOZWMYBCGCKSC-OAHLLOKOSA-N 1 3 318.465 2.011 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000415552742 404881321 /nfs/dbraw/zinc/88/13/21/404881321.db2.gz AHIIAAZYSLGIEE-UHFFFAOYSA-N 1 3 318.465 2.302 20 0 DEADHO C[C@@H]1CCCN(C(=O)Nc2ccccc2CCN(C)C)[C@@H]1C[NH3+] ZINC000415567507 404885296 /nfs/dbraw/zinc/88/52/96/404885296.db2.gz JWMSDNKCHJSYMN-RHSMWYFYSA-N 1 3 318.465 2.382 20 0 DEADHO Cc1nc([C@H](C)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cs1 ZINC000378198084 404889610 /nfs/dbraw/zinc/88/96/10/404889610.db2.gz CPPOPIOGKDEVMW-JSGCOSHPSA-N 1 3 308.495 2.271 20 0 DEADHO Cc1nc([C@H](C)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cs1 ZINC000378198084 404889615 /nfs/dbraw/zinc/88/96/15/404889615.db2.gz CPPOPIOGKDEVMW-JSGCOSHPSA-N 1 3 308.495 2.271 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000378207061 404893505 /nfs/dbraw/zinc/89/35/05/404893505.db2.gz QQSPLUUSMNUHDD-BPQIPLTHSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@H](CO)[C@@H]3CCOC3)CC2)C1 ZINC000360882569 404844721 /nfs/dbraw/zinc/84/47/21/404844721.db2.gz FLERRNLVLPWIHH-VXNCWWDNSA-N 1 3 324.509 2.264 20 0 DEADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@@H](CO)[C@@H]3CCOC3)CC2)C1 ZINC000360882569 404844724 /nfs/dbraw/zinc/84/47/24/404844724.db2.gz FLERRNLVLPWIHH-VXNCWWDNSA-N 1 3 324.509 2.264 20 0 DEADHO C(CN1CC[C@H]([C@H]2CCOC2)C1)C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000367187893 404958823 /nfs/dbraw/zinc/95/88/23/404958823.db2.gz UFGXESATTWKFCB-CADBVGFASA-N 1 3 322.493 2.093 20 0 DEADHO C(CN1CC[C@H]([C@H]2CCOC2)C1)C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000367187893 404958827 /nfs/dbraw/zinc/95/88/27/404958827.db2.gz UFGXESATTWKFCB-CADBVGFASA-N 1 3 322.493 2.093 20 0 DEADHO C(CN1CC[C@H]([C@@H]2CCOC2)C1)C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000367187893 404958829 /nfs/dbraw/zinc/95/88/29/404958829.db2.gz UFGXESATTWKFCB-CADBVGFASA-N 1 3 322.493 2.093 20 0 DEADHO C(CN1CC[C@H]([C@@H]2CCOC2)C1)C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000367187893 404958833 /nfs/dbraw/zinc/95/88/33/404958833.db2.gz UFGXESATTWKFCB-CADBVGFASA-N 1 3 322.493 2.093 20 0 DEADHO C[C@@H]([NH3+])C1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000416815668 404921659 /nfs/dbraw/zinc/92/16/59/404921659.db2.gz WRQMPIICHHADRH-RHSMWYFYSA-N 1 3 318.465 2.058 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000416842128 404931670 /nfs/dbraw/zinc/93/16/70/404931670.db2.gz MRTQTHRLEWVHEJ-IRXDYDNUSA-N 1 3 318.465 2.121 20 0 DEADHO CCCC[C@H](C[NH3+])NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000416845976 404932706 /nfs/dbraw/zinc/93/27/06/404932706.db2.gz STZYEAHSDZBESH-SJORKVTESA-N 1 3 318.465 2.078 20 0 DEADHO CC1CCN([C@H](CNC(=O)N(C)CC[NH3+])c2cccs2)CC1 ZINC000416851881 404935312 /nfs/dbraw/zinc/93/53/12/404935312.db2.gz RVROZLCZYWFRRG-CQSZACIVSA-N 1 3 324.494 2.121 20 0 DEADHO C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)[C@@H](C)CN1 ZINC000415782420 404941512 /nfs/dbraw/zinc/94/15/12/404941512.db2.gz FBAHEONPIYTUFE-IIYDPXPESA-N 1 3 316.449 2.450 20 0 DEADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000367308297 405006128 /nfs/dbraw/zinc/00/61/28/405006128.db2.gz CIMGDRZUVKJBOL-HZPDHXFCSA-N 1 3 316.449 2.216 20 0 DEADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000367308297 405006130 /nfs/dbraw/zinc/00/61/30/405006130.db2.gz CIMGDRZUVKJBOL-HZPDHXFCSA-N 1 3 316.449 2.216 20 0 DEADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000417027540 405008342 /nfs/dbraw/zinc/00/83/42/405008342.db2.gz ZXSKAWZXINTUSN-OAGGEKHMSA-N 1 3 312.502 2.122 20 0 DEADHO CC(C)[NH+](CCN(C)C(=O)Nc1ncccc1CN)C(C)C ZINC000416031508 405011060 /nfs/dbraw/zinc/01/10/60/405011060.db2.gz OSWXMDRPWLPDOM-UHFFFAOYSA-N 1 3 307.442 2.123 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCN[C@@H](C)[C@@H]2C)C1 ZINC000417051474 405021217 /nfs/dbraw/zinc/02/12/17/405021217.db2.gz ZXYLIMLHTBMNGE-YVSFHVDLSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCN[C@@H](C)[C@@H]2C)C1 ZINC000417051474 405021224 /nfs/dbraw/zinc/02/12/24/405021224.db2.gz ZXYLIMLHTBMNGE-YVSFHVDLSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)[C@@H](C[NH3+])C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000379665419 405028586 /nfs/dbraw/zinc/02/85/86/405028586.db2.gz SNKAOWOFQOPITG-ZWKOTPCHSA-N 1 3 317.477 2.388 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C1CC1)N1CCCC1 ZINC000353983710 404983460 /nfs/dbraw/zinc/98/34/60/404983460.db2.gz NUQNREPJVHPBOZ-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C1CC1)N1CCCC1 ZINC000353983710 404983463 /nfs/dbraw/zinc/98/34/63/404983463.db2.gz NUQNREPJVHPBOZ-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1cc(C)c(CN2CCCC[C@H]2CNC(=O)CC[NH3+])c(C)c1 ZINC000436060666 405041002 /nfs/dbraw/zinc/04/10/02/405041002.db2.gz NTYSMSYAJKICEX-KRWDZBQOSA-N 1 3 317.477 2.431 20 0 DEADHO CCC[C@](C)([NH3+])C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000389886320 405041810 /nfs/dbraw/zinc/04/18/10/405041810.db2.gz RUBZENHFGHLFPW-HFTRVMKXSA-N 1 3 303.450 2.141 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416189646 405053539 /nfs/dbraw/zinc/05/35/39/405053539.db2.gz JXEUQJMHNVVPDF-JLSDUUJJSA-N 1 3 315.461 2.278 20 0 DEADHO CC(C)n1nccc1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000354134123 405060570 /nfs/dbraw/zinc/06/05/70/405060570.db2.gz OMMKGGRKMOAKDB-IYBDPMFKSA-N 1 3 308.470 2.443 20 0 DEADHO CC[C@H]1CCCCN1C(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424295933 405060689 /nfs/dbraw/zinc/06/06/89/405060689.db2.gz RRMBKVQNOMQGJW-HOTGVXAUSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1CC2(CN1CC(=O)N(C)[C@@H]1CCCC[C@H]1C)CC[NH2+]CC2 ZINC000424302484 405062426 /nfs/dbraw/zinc/06/24/26/405062426.db2.gz ZPUFSNGDGWYDNJ-BRWVUGGUSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1ccccc1NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424299770 405062805 /nfs/dbraw/zinc/06/28/05/405062805.db2.gz VRXBXUUEAGCXTA-HNNXBMFYSA-N 1 3 301.434 2.398 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCN[C@H](C)[C@H]2C)C1 ZINC000417225406 405068175 /nfs/dbraw/zinc/06/81/75/405068175.db2.gz XMMWFLFTIXHAOF-QKPAOTATSA-N 1 3 324.513 2.135 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCN[C@H](C)[C@H]2C)C1 ZINC000417225406 405068179 /nfs/dbraw/zinc/06/81/79/405068179.db2.gz XMMWFLFTIXHAOF-QKPAOTATSA-N 1 3 324.513 2.135 20 0 DEADHO CCN1CCN(CCC[NH2+]Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000436295774 405068372 /nfs/dbraw/zinc/06/83/72/405068372.db2.gz ZVNWELRNPBYQAT-UHFFFAOYSA-N 1 3 318.440 2.424 20 0 DEADHO CC(C)(C[NH2+]C1CCN(CC(F)F)CC1)CN1CCCC1 ZINC000361444178 405078595 /nfs/dbraw/zinc/07/85/95/405078595.db2.gz ZNRLLIBIOGYIKP-UHFFFAOYSA-N 1 3 303.441 2.428 20 0 DEADHO C[C@@H](CNC(=O)NC1CCC([NH3+])CC1)N(C)Cc1ccccc1 ZINC000417575649 405092723 /nfs/dbraw/zinc/09/27/23/405092723.db2.gz GKQUPCRDHKENSD-OOHWJJMZSA-N 1 3 318.465 2.076 20 0 DEADHO CN(CCN1CCCC1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361529272 405116925 /nfs/dbraw/zinc/11/69/25/405116925.db2.gz XDGGDVUDEUERCE-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO CN(CCN1CCCC1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361529272 405116928 /nfs/dbraw/zinc/11/69/28/405116928.db2.gz XDGGDVUDEUERCE-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2C[C@@H](C)NC[C@@H]2C)cc1 ZINC000418353919 405123533 /nfs/dbraw/zinc/12/35/33/405123533.db2.gz NZHBWTCLXKQVQV-JKIFEVAISA-N 1 3 318.465 2.202 20 0 DEADHO C[NH+](C)Cc1ccc(CNCCC(=O)Nc2cccnc2)cc1 ZINC000568461860 292341202 /nfs/dbraw/zinc/34/12/02/292341202.db2.gz HLNDWEMJHOUZNA-UHFFFAOYSA-N 1 3 312.417 2.262 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418716607 405179567 /nfs/dbraw/zinc/17/95/67/405179567.db2.gz JFVHRPALVGBOGK-DLBZAZTESA-N 1 3 324.513 2.411 20 0 DEADHO C[C@@H](Cc1cnccn1)NCc1ccccc1OCC[NH+](C)C ZINC000453095701 405283483 /nfs/dbraw/zinc/28/34/83/405283483.db2.gz UVGOVTBLIHPXNM-HNNXBMFYSA-N 1 3 314.433 2.138 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCOC[C@H](C3CCC3)C2)CC1 ZINC000368354440 405237389 /nfs/dbraw/zinc/23/73/89/405237389.db2.gz IRXAYWOSXAWILN-LJQANCHMSA-N 1 3 323.525 2.151 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCOC[C@H](C3CCC3)C2)CC1 ZINC000368354440 405237391 /nfs/dbraw/zinc/23/73/91/405237391.db2.gz IRXAYWOSXAWILN-LJQANCHMSA-N 1 3 323.525 2.151 20 0 DEADHO CN1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC000425055683 405238216 /nfs/dbraw/zinc/23/82/16/405238216.db2.gz IDFHVWKLHRWUAV-LZLYRXPVSA-N 1 3 319.493 2.194 20 0 DEADHO CN1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC000425055683 405238218 /nfs/dbraw/zinc/23/82/18/405238218.db2.gz IDFHVWKLHRWUAV-LZLYRXPVSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@@H](NC(=O)[C@@H]1CCCN1C1CCCC1)C(C)(C)C[NH+](C)C ZINC000438545079 405250412 /nfs/dbraw/zinc/25/04/12/405250412.db2.gz LHBIKZNYONQRHW-ZBFHGGJFSA-N 1 3 309.498 2.486 20 0 DEADHO CCOc1ccccc1NC(=O)CCN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000420290987 405308083 /nfs/dbraw/zinc/30/80/83/405308083.db2.gz MUWOYITYPXFKQC-GJZGRUSLSA-N 1 3 319.449 2.473 20 0 DEADHO COc1ccc([C@@H](C[NH3+])CN(C)CCC2CCOCC2)cc1 ZINC000420302063 405311395 /nfs/dbraw/zinc/31/13/95/405311395.db2.gz LXIRTVJEXZNASH-KRWDZBQOSA-N 1 3 306.450 2.486 20 0 DEADHO COc1ccc([C@@H](C[NH3+])CN2CCC(c3cc[nH]n3)CC2)cc1 ZINC000420307299 405313241 /nfs/dbraw/zinc/31/32/41/405313241.db2.gz BLDBZPZECPKHJM-INIZCTEOSA-N 1 3 314.433 2.340 20 0 DEADHO CN(C)C(=O)CC[N@@H+]1CCCC[C@@H]1[C@H](CN)Cc1ccccc1 ZINC000420309921 405314753 /nfs/dbraw/zinc/31/47/53/405314753.db2.gz LRZCEMVORFUOAX-ZWKOTPCHSA-N 1 3 317.477 2.137 20 0 DEADHO CN(C)C(=O)CC[N@H+]1CCCC[C@@H]1[C@H](CN)Cc1ccccc1 ZINC000420309921 405314754 /nfs/dbraw/zinc/31/47/54/405314754.db2.gz LRZCEMVORFUOAX-ZWKOTPCHSA-N 1 3 317.477 2.137 20 0 DEADHO O=C(CC1CCCC1)N1CCCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420317098 405317067 /nfs/dbraw/zinc/31/70/67/405317067.db2.gz NCCQYBKZBFGEJP-KRWDZBQOSA-N 1 3 307.482 2.101 20 0 DEADHO COc1cccc(CCC[N@@H+]2C[C@H](CN)C3(C2)CCOCC3)c1 ZINC000420329847 405321948 /nfs/dbraw/zinc/32/19/48/405321948.db2.gz PDOLWGXKHXAMPP-KRWDZBQOSA-N 1 3 318.461 2.315 20 0 DEADHO COc1cccc(CCC[N@H+]2C[C@H](CN)C3(C2)CCOCC3)c1 ZINC000420329847 405321950 /nfs/dbraw/zinc/32/19/50/405321950.db2.gz PDOLWGXKHXAMPP-KRWDZBQOSA-N 1 3 318.461 2.315 20 0 DEADHO C[C@H](C(=O)NCc1ccccc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420339043 405325263 /nfs/dbraw/zinc/32/52/63/405325263.db2.gz LPHHCXGBLQUTMD-NXHRZFHOSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@H](C(=O)NCc1cccs1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420342563 405326518 /nfs/dbraw/zinc/32/65/18/405326518.db2.gz POXCOEHYSDYTGZ-QLFBSQMISA-N 1 3 321.490 2.074 20 0 DEADHO COC(=O)CC1(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000440785369 405326729 /nfs/dbraw/zinc/32/67/29/405326729.db2.gz WUQAPSGKQRBDPK-GDBMZVCRSA-N 1 3 306.450 2.278 20 0 DEADHO COC(=O)CC1(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000440785369 405326731 /nfs/dbraw/zinc/32/67/31/405326731.db2.gz WUQAPSGKQRBDPK-GDBMZVCRSA-N 1 3 306.450 2.278 20 0 DEADHO [NH3+][C@@H]1CCO[C@H](C2CCN(CCOc3ccccc3F)CC2)C1 ZINC000420379051 405338357 /nfs/dbraw/zinc/33/83/57/405338357.db2.gz AKRUTVUQSWYJGP-QAPCUYQASA-N 1 3 322.424 2.423 20 0 DEADHO C[C@H]1CCN(CCC(=O)Nc2cc(F)cc(F)c2)C[C@H]1C[NH3+] ZINC000420418636 405347866 /nfs/dbraw/zinc/34/78/66/405347866.db2.gz XCBDPCHJRUTJIZ-NWDGAFQWSA-N 1 3 311.376 2.210 20 0 DEADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NCCN2CCCC(C)(C)C2)C1 ZINC000445241205 405349769 /nfs/dbraw/zinc/34/97/69/405349769.db2.gz HCTRWVCNFYBGGQ-INIZCTEOSA-N 1 3 324.513 2.140 20 0 DEADHO CCC[N@H+]1CC[C@@H](CNC(=O)NCCN2CCCC(C)(C)C2)C1 ZINC000445241205 405349771 /nfs/dbraw/zinc/34/97/71/405349771.db2.gz HCTRWVCNFYBGGQ-INIZCTEOSA-N 1 3 324.513 2.140 20 0 DEADHO COC(=O)[C@H](CC[N@@H+]1CC[C@@]2(CCN(C)C2)C1)c1ccccc1 ZINC000425445265 405291703 /nfs/dbraw/zinc/29/17/03/405291703.db2.gz MNMXLCZAVDYPMC-IEBWSBKVSA-N 1 3 316.445 2.361 20 0 DEADHO COC(=O)[C@H](CC[N@H+]1CC[C@@]2(CCN(C)C2)C1)c1ccccc1 ZINC000425445265 405291705 /nfs/dbraw/zinc/29/17/05/405291705.db2.gz MNMXLCZAVDYPMC-IEBWSBKVSA-N 1 3 316.445 2.361 20 0 DEADHO C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)N(C)C ZINC000454181279 405306293 /nfs/dbraw/zinc/30/62/93/405306293.db2.gz LQTPSAXTMJBEAR-HNNXBMFYSA-N 1 3 318.465 2.032 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000440206577 405306349 /nfs/dbraw/zinc/30/63/49/405306349.db2.gz LSJLWFKQBNBCRA-JKSUJKDBSA-N 1 3 312.502 2.231 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000440206577 405306350 /nfs/dbraw/zinc/30/63/50/405306350.db2.gz LSJLWFKQBNBCRA-JKSUJKDBSA-N 1 3 312.502 2.231 20 0 DEADHO C[C@H]1C[C@H](N(C)C(=O)[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000446364968 405380340 /nfs/dbraw/zinc/38/03/40/405380340.db2.gz XPJGDDVICYOHOC-RYQLBKOJSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000420789779 405384771 /nfs/dbraw/zinc/38/47/71/405384771.db2.gz YGAMJWJETFAIPO-BBWFWOEESA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000420789779 405384775 /nfs/dbraw/zinc/38/47/75/405384775.db2.gz YGAMJWJETFAIPO-BBWFWOEESA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCC(C)CC1 ZINC000455476133 405415664 /nfs/dbraw/zinc/41/56/64/405415664.db2.gz OGUQKRKBHBEGEK-XYTVBORESA-N 1 3 322.497 2.031 20 0 DEADHO C[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCC(C)CC1 ZINC000455476133 405415666 /nfs/dbraw/zinc/41/56/66/405415666.db2.gz OGUQKRKBHBEGEK-XYTVBORESA-N 1 3 322.497 2.031 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NCCCCC[NH+]2CCCC2)CCN1C ZINC000454636553 405375497 /nfs/dbraw/zinc/37/54/97/405375497.db2.gz FJZOMRXEIJJLDF-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO CC(C)N1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000458443625 405495830 /nfs/dbraw/zinc/49/58/30/405495830.db2.gz UBRHFUGNPZIAMD-WBVHZDCISA-N 1 3 322.497 2.127 20 0 DEADHO CC(C)N1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000458443625 405495839 /nfs/dbraw/zinc/49/58/39/405495839.db2.gz UBRHFUGNPZIAMD-WBVHZDCISA-N 1 3 322.497 2.127 20 0 DEADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)NCc2ccccc2C)CC1 ZINC000430554552 405456072 /nfs/dbraw/zinc/45/60/72/405456072.db2.gz VVNBBLNEARCBGT-INIZCTEOSA-N 1 3 317.477 2.321 20 0 DEADHO CC[NH2+]CC1CCN(CC(=O)N(C(C)C)C2CCCC2)CC1 ZINC000430560874 405457489 /nfs/dbraw/zinc/45/74/89/405457489.db2.gz XYIQGVPLTKFJQF-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)/C=C\CN(C)C ZINC000492048377 405467642 /nfs/dbraw/zinc/46/76/42/405467642.db2.gz NCJLIXGWBBQEEM-MVKGYNNESA-N 1 3 315.461 2.131 20 0 DEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)/C=C\CN(C)C ZINC000492048377 405467646 /nfs/dbraw/zinc/46/76/46/405467646.db2.gz NCJLIXGWBBQEEM-MVKGYNNESA-N 1 3 315.461 2.131 20 0 DEADHO CNC(=O)CCN[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638443157 405472240 /nfs/dbraw/zinc/47/22/40/405472240.db2.gz IGISLCHIMHXNDZ-NVXWUHKLSA-N 1 3 301.434 2.080 20 0 DEADHO CNC(=O)CCN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638443157 405472248 /nfs/dbraw/zinc/47/22/48/405472248.db2.gz IGISLCHIMHXNDZ-NVXWUHKLSA-N 1 3 301.434 2.080 20 0 DEADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@H]1c2ccccc2C(=O)N1C ZINC000528007369 405478107 /nfs/dbraw/zinc/47/81/07/405478107.db2.gz URZLMSVOXRVCAQ-KFZJALRRSA-N 1 3 301.434 2.132 20 0 DEADHO C[C@@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCCC[C@@H]1C ZINC000430764458 405503110 /nfs/dbraw/zinc/50/31/10/405503110.db2.gz SCFXAYDVATVLQO-ZSNVMCELSA-N 1 3 307.482 2.286 20 0 DEADHO C[NH2+]C[C@@](C)(O)CN1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000577759511 405510178 /nfs/dbraw/zinc/51/01/78/405510178.db2.gz KQDNGGUCLZZEHY-KBXCAEBGSA-N 1 3 316.449 2.021 20 0 DEADHO C[NH2+]C[C@@](C)(O)CN1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000577759511 405510181 /nfs/dbraw/zinc/51/01/81/405510181.db2.gz KQDNGGUCLZZEHY-KBXCAEBGSA-N 1 3 316.449 2.021 20 0 DEADHO C[C@@H](NC(=O)NC(C)(C)CN(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458635657 405515787 /nfs/dbraw/zinc/51/57/87/405515787.db2.gz QWKVMAONBUVSTD-HUUCEWRRSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H](NC(=O)NC(C)(C)CN(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000458635657 405515790 /nfs/dbraw/zinc/51/57/90/405515790.db2.gz QWKVMAONBUVSTD-HUUCEWRRSA-N 1 3 324.513 2.279 20 0 DEADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000449063909 405518323 /nfs/dbraw/zinc/51/83/23/405518323.db2.gz RUHGGOKRFXTMJE-IAGOWNOFSA-N 1 3 319.493 2.300 20 0 DEADHO C[C@@H](NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000449600289 405634057 /nfs/dbraw/zinc/63/40/57/405634057.db2.gz JIQVTCIRUKBHFH-XHSDSOJGSA-N 1 3 317.477 2.182 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000431063024 405570240 /nfs/dbraw/zinc/57/02/40/405570240.db2.gz WNPUQYNLULCZEQ-IWCQGFGOSA-N 1 3 301.434 2.066 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000458784865 405591308 /nfs/dbraw/zinc/59/13/08/405591308.db2.gz KGHUXPGJCHJJAI-HZPDHXFCSA-N 1 3 324.513 2.233 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000458784865 405591315 /nfs/dbraw/zinc/59/13/15/405591315.db2.gz KGHUXPGJCHJJAI-HZPDHXFCSA-N 1 3 324.513 2.233 20 0 DEADHO COC1([C@H](C)NC[C@@H](O)C[NH+]2CCC(C)CC2)CCCCC1 ZINC000421828192 405652511 /nfs/dbraw/zinc/65/25/11/405652511.db2.gz BLBDOKBDYPITMB-DLBZAZTESA-N 1 3 312.498 2.407 20 0 DEADHO CCN(CC)CCN[C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422748220 405679509 /nfs/dbraw/zinc/67/95/09/405679509.db2.gz SNJIFXCOOSBGRS-ZWKOTPCHSA-N 1 3 305.466 2.420 20 0 DEADHO Cc1ccc(CSCCNC[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000580709911 405670181 /nfs/dbraw/zinc/67/01/81/405670181.db2.gz QOVSMTGGVCXSHB-QGZVFWFLSA-N 1 3 308.491 2.273 20 0 DEADHO Cc1ccc(CSCCNC[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000580709911 405670190 /nfs/dbraw/zinc/67/01/90/405670190.db2.gz QOVSMTGGVCXSHB-QGZVFWFLSA-N 1 3 308.491 2.273 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)NC(C)(C)CC[NH3+])N(C)C)cc1 ZINC000422598758 405671634 /nfs/dbraw/zinc/67/16/34/405671634.db2.gz NXSQEUBXICLIJH-OAHLLOKOSA-N 1 3 306.454 2.024 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H]2CCCN2C2CC2)C1 ZINC000494310424 405676002 /nfs/dbraw/zinc/67/60/02/405676002.db2.gz KXBRGMUHGDRERP-HLLBOEOZSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@H]2CCCN2C2CC2)C1 ZINC000494310424 405676005 /nfs/dbraw/zinc/67/60/05/405676005.db2.gz KXBRGMUHGDRERP-HLLBOEOZSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2CN)N2CCOCC2)cc1 ZINC000422706609 405676137 /nfs/dbraw/zinc/67/61/37/405676137.db2.gz FMZQVDVQMCTCKC-QRVBRYPASA-N 1 3 317.477 2.085 20 0 DEADHO c1ccc(OCCCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422779535 405681777 /nfs/dbraw/zinc/68/17/77/405681777.db2.gz BXHGXZSBBNLDPV-FGTMMUONSA-N 1 3 304.434 2.202 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC000457100963 405699911 /nfs/dbraw/zinc/69/99/11/405699911.db2.gz XFIGZELKQYLVIU-INIZCTEOSA-N 1 3 303.450 2.303 20 0 DEADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC000457100963 405699914 /nfs/dbraw/zinc/69/99/14/405699914.db2.gz XFIGZELKQYLVIU-INIZCTEOSA-N 1 3 303.450 2.303 20 0 DEADHO C[C@@H]1CC(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000423118226 405701562 /nfs/dbraw/zinc/70/15/62/405701562.db2.gz ZMBNLRWKBIVOEZ-HUMVNOLHSA-N 1 3 310.482 2.327 20 0 DEADHO C[C@H](C[C@H]1COCCN1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423094982 405702191 /nfs/dbraw/zinc/70/21/91/405702191.db2.gz LDMOPJWAEZOEHT-SOLBZPMBSA-N 1 3 309.498 2.140 20 0 DEADHO C[C@H](C[C@H]1COCCN1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000423094982 405702194 /nfs/dbraw/zinc/70/21/94/405702194.db2.gz LDMOPJWAEZOEHT-SOLBZPMBSA-N 1 3 309.498 2.140 20 0 DEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H](CO)c1ccc(F)cc1 ZINC000423177317 405712327 /nfs/dbraw/zinc/71/23/27/405712327.db2.gz HCRSXMIQCSPQNZ-FNHZYXHNSA-N 1 3 316.420 2.450 20 0 DEADHO COc1ccc2oc([C@H](C)NCCN3CC[NH2+]CC3)c(C)c2c1 ZINC000423207510 405723712 /nfs/dbraw/zinc/72/37/12/405723712.db2.gz RSGMYBQOWMIMSY-AWEZNQCLSA-N 1 3 317.433 2.306 20 0 DEADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000582415201 405723517 /nfs/dbraw/zinc/72/35/17/405723517.db2.gz FUHANFQQEWHBRQ-DOTOQJQBSA-N 1 3 324.440 2.275 20 0 DEADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000423195380 405717907 /nfs/dbraw/zinc/71/79/07/405717907.db2.gz XWVADQGSZAHRCM-LEUOFYLZSA-N 1 3 306.425 2.412 20 0 DEADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccc(F)cc2)C1 ZINC000582415203 405723887 /nfs/dbraw/zinc/72/38/87/405723887.db2.gz FUHANFQQEWHBRQ-RDJZCZTQSA-N 1 3 324.440 2.275 20 0 DEADHO O=C(CC[C@@H]1CCC[NH2+]1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000494655957 405738930 /nfs/dbraw/zinc/73/89/30/405738930.db2.gz MVKIBZSSESZFSN-ZWKOTPCHSA-N 1 3 315.461 2.472 20 0 DEADHO C[C@H](C[NH3+])CN[C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000423297187 405751769 /nfs/dbraw/zinc/75/17/69/405751769.db2.gz JBZWPXAUJLSSND-KGLIPLIRSA-N 1 3 302.422 2.245 20 0 DEADHO CCN(Cc1ccc(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1)C1CC1 ZINC000432528126 405778941 /nfs/dbraw/zinc/77/89/41/405778941.db2.gz SOBOTARSFPJIFX-KDOFPFPSSA-N 1 3 315.461 2.399 20 0 DEADHO C[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccs1 ZINC000423389969 405787458 /nfs/dbraw/zinc/78/74/58/405787458.db2.gz NWJSAEPOPKGTRS-PWSUYJOCSA-N 1 3 307.385 2.235 20 0 DEADHO C[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1 ZINC000423395462 405789264 /nfs/dbraw/zinc/78/92/64/405789264.db2.gz SOYXODZZAPRLCG-OCCSQVGLSA-N 1 3 301.356 2.173 20 0 DEADHO [NH3+]C[C@H]1CCC[C@@H]1Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000583988563 405802205 /nfs/dbraw/zinc/80/22/05/405802205.db2.gz CEUVIPXTEHXORK-MJGOQNOKSA-N 1 3 317.477 2.430 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)NC1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000423458447 405812305 /nfs/dbraw/zinc/81/23/05/405812305.db2.gz JWNSKZQORMYYJJ-QSFKDOLUSA-N 1 3 307.482 2.306 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21)N(CC)CC ZINC000639021056 405824349 /nfs/dbraw/zinc/82/43/49/405824349.db2.gz DWIWOEPAUWWHKL-ZBFHGGJFSA-N 1 3 303.450 2.271 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@H](C[NH3+])C(C)C)c1ccsc1 ZINC000433157713 405881464 /nfs/dbraw/zinc/88/14/64/405881464.db2.gz NPUVHMGXVNIPTH-CABCVRRESA-N 1 3 311.495 2.478 20 0 DEADHO CC1(C)CC([NH2+]CCCN2CCN(c3ccncc3)CC2)C1 ZINC000433154962 405882037 /nfs/dbraw/zinc/88/20/37/405882037.db2.gz VVFRDNBMMAOSHT-UHFFFAOYSA-N 1 3 302.466 2.372 20 0 DEADHO CC(C)[C@@H](C[NH3+])C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000433158517 405884511 /nfs/dbraw/zinc/88/45/11/405884511.db2.gz BCOGCAUEQLAQNU-IAGOWNOFSA-N 1 3 303.450 2.171 20 0 DEADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459309280 405846569 /nfs/dbraw/zinc/84/65/69/405846569.db2.gz NDUOOXONIKKOLO-HZPDHXFCSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459309280 405846577 /nfs/dbraw/zinc/84/65/77/405846577.db2.gz NDUOOXONIKKOLO-HZPDHXFCSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H]1OCC[C@@]1(O)CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000433015784 405851059 /nfs/dbraw/zinc/85/10/59/405851059.db2.gz LUMYISYAOLOLKA-XYVMCAHJSA-N 1 3 310.482 2.159 20 0 DEADHO C[C@H]1OCC[C@@]1(O)C[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000433015784 405851066 /nfs/dbraw/zinc/85/10/66/405851066.db2.gz LUMYISYAOLOLKA-XYVMCAHJSA-N 1 3 310.482 2.159 20 0 DEADHO CCn1ccnc1[C@H]1OCCC[C@@H]1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000639079440 405868148 /nfs/dbraw/zinc/86/81/48/405868148.db2.gz OBKCQUAWHJCNGI-VGWMRTNUSA-N 1 3 306.454 2.195 20 0 DEADHO CCn1ccnc1[C@H]1OCCC[C@@H]1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000639079440 405868151 /nfs/dbraw/zinc/86/81/51/405868151.db2.gz OBKCQUAWHJCNGI-VGWMRTNUSA-N 1 3 306.454 2.195 20 0 DEADHO C[NH2+]C[C@@H](C)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000423744512 405941133 /nfs/dbraw/zinc/94/11/33/405941133.db2.gz LLDLRVFKKORXRN-QGZVFWFLSA-N 1 3 317.477 2.009 20 0 DEADHO Cc1cc(CN(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)sn1 ZINC000639172228 405943562 /nfs/dbraw/zinc/94/35/62/405943562.db2.gz JEOIFNZHXSIVCM-OAHLLOKOSA-N 1 3 308.495 2.052 20 0 DEADHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[C@@H](N)c1ccccc1 ZINC000423752488 405946994 /nfs/dbraw/zinc/94/69/94/405946994.db2.gz ASQMEWOYAMZXGP-IXDOHACOSA-N 1 3 301.434 2.162 20 0 DEADHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C[C@@H](N)c1ccccc1 ZINC000423752488 405947000 /nfs/dbraw/zinc/94/70/00/405947000.db2.gz ASQMEWOYAMZXGP-IXDOHACOSA-N 1 3 301.434 2.162 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000423777047 405959705 /nfs/dbraw/zinc/95/97/05/405959705.db2.gz OMDRMSABPFMFJI-LAVFITLUSA-N 1 3 315.461 2.011 20 0 DEADHO CC(C)[NH2+]CCCNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000561208733 405906126 /nfs/dbraw/zinc/90/61/26/405906126.db2.gz KINSNYAXAVZJBO-MRXNPFEDSA-N 1 3 320.481 2.194 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)N2CCCC[C@H]2C)C1 ZINC000457712544 405965495 /nfs/dbraw/zinc/96/54/95/405965495.db2.gz QPSOSXIEUOEJGP-ZACQAIPSSA-N 1 3 324.513 2.373 20 0 DEADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)N2CCCC[C@H]2C)C1 ZINC000457712544 405965499 /nfs/dbraw/zinc/96/54/99/405965499.db2.gz QPSOSXIEUOEJGP-ZACQAIPSSA-N 1 3 324.513 2.373 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633943473 405922185 /nfs/dbraw/zinc/92/21/85/405922185.db2.gz NUBOZXPJUVYUEC-MRXNPFEDSA-N 1 3 307.482 2.338 20 0 DEADHO [NH3+][C@H]1CCC[C@@H]1Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000568856511 292372074 /nfs/dbraw/zinc/37/20/74/292372074.db2.gz OAMAYTDZYYAPGM-ROUUACIJSA-N 1 3 303.450 2.183 20 0 DEADHO C[C@H](C(=O)NC1CC([NH+]2CCCCC2)C1)[C@H](N)c1ccccc1 ZINC000423808869 405985150 /nfs/dbraw/zinc/98/51/50/405985150.db2.gz ZXYHFCGUBRNCFA-KUQKPQIMSA-N 1 3 315.461 2.456 20 0 DEADHO C[C@H](CC(=O)Nc1cccc(F)c1)NCC[N@@H+]1CC[C@H](C)C1 ZINC000531729011 405999334 /nfs/dbraw/zinc/99/93/34/405999334.db2.gz ZSTZDUQGWQPYMY-UONOGXRCSA-N 1 3 307.413 2.474 20 0 DEADHO C[C@H](CC(=O)Nc1cccc(F)c1)NCC[N@H+]1CC[C@H](C)C1 ZINC000531729011 405999335 /nfs/dbraw/zinc/99/93/35/405999335.db2.gz ZSTZDUQGWQPYMY-UONOGXRCSA-N 1 3 307.413 2.474 20 0 DEADHO CC(C)[NH+](CCNC(=O)NC[C@H]1CCCCN1C1CC1)C(C)C ZINC000433943269 406000775 /nfs/dbraw/zinc/00/07/75/406000775.db2.gz UELOQZKNXLTWOU-QGZVFWFLSA-N 1 3 324.513 2.421 20 0 DEADHO COc1ccc([C@@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1Cl ZINC000532515509 406081807 /nfs/dbraw/zinc/08/18/07/406081807.db2.gz DXDVHUBDCHCUOF-GFCCVEGCSA-N 1 3 312.841 2.456 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C)N(C)C ZINC000532216702 406056457 /nfs/dbraw/zinc/05/64/57/406056457.db2.gz VIYHXYSBZJSDCL-LSDHHAIUSA-N 1 3 311.857 2.399 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C)[NH+](C)C ZINC000532216702 406056463 /nfs/dbraw/zinc/05/64/63/406056463.db2.gz VIYHXYSBZJSDCL-LSDHHAIUSA-N 1 3 311.857 2.399 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000518810772 406161670 /nfs/dbraw/zinc/16/16/70/406161670.db2.gz YQXREGDVRLWDDF-DOTOQJQBSA-N 1 3 319.493 2.194 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000518810772 406161677 /nfs/dbraw/zinc/16/16/77/406161677.db2.gz YQXREGDVRLWDDF-DOTOQJQBSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC1CCN(c2cccnn2)CC1 ZINC000567639700 406110817 /nfs/dbraw/zinc/11/08/17/406110817.db2.gz LYKVRCZGKGLKBJ-RDJZCZTQSA-N 1 3 317.481 2.346 20 0 DEADHO CCN(CCC[NH+](CC)CC)C(=O)NC1CCN(CC)CC1 ZINC000471846231 406124669 /nfs/dbraw/zinc/12/46/69/406124669.db2.gz MLZXLUIXLMXHNT-UHFFFAOYSA-N 1 3 312.502 2.234 20 0 DEADHO C[C@@H]1C[C@@H](C)[N@H+](CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000475028962 406145963 /nfs/dbraw/zinc/14/59/63/406145963.db2.gz CWWUYMGMFXAXJK-INMHGKMJSA-N 1 3 303.450 2.136 20 0 DEADHO C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000475028962 406145966 /nfs/dbraw/zinc/14/59/66/406145966.db2.gz CWWUYMGMFXAXJK-INMHGKMJSA-N 1 3 303.450 2.136 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNCCC(N)=O)cc2)C1 ZINC000518568459 406148861 /nfs/dbraw/zinc/14/88/61/406148861.db2.gz OYIMCLFYPZDTGZ-HUUCEWRRSA-N 1 3 303.450 2.130 20 0 DEADHO C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639765091 406242432 /nfs/dbraw/zinc/24/24/32/406242432.db2.gz ZKQIWCCHPIVEPF-HZPDHXFCSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H](C1CC1)N(C(=O)CN1CCC2(C1)CC[NH+](C)CC2)C1CC1 ZINC000639758045 406238559 /nfs/dbraw/zinc/23/85/59/406238559.db2.gz OUJIZFAWCVOUDQ-OAHLLOKOSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@@H]1CCC[C@@H](NC(=O)CN2CCC3(C2)CC[NH+](C)CC3)[C@@H]1C ZINC000639762511 406240722 /nfs/dbraw/zinc/24/07/22/406240722.db2.gz LVMOYQWAAVDVDD-BRWVUGGUSA-N 1 3 321.509 2.345 20 0 DEADHO C[NH+](C)CCOc1cnccc1CNC[C@H](O)CC1CCCC1 ZINC000520220786 406275661 /nfs/dbraw/zinc/27/56/61/406275661.db2.gz PZXDBGADUWTCMN-QGZVFWFLSA-N 1 3 321.465 2.053 20 0 DEADHO COC[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)C1CCCC1 ZINC000635007636 406397115 /nfs/dbraw/zinc/39/71/15/406397115.db2.gz FSBYGJUHORQEDM-MRXNPFEDSA-N 1 3 304.438 2.108 20 0 DEADHO CC1(C)[C@H](Nc2cc(N3CCNCC3)cc[nH+]2)[C@H]2CCCO[C@H]21 ZINC000635008905 406398856 /nfs/dbraw/zinc/39/88/56/406398856.db2.gz LECMBSXBIPSBTL-DJIMGWMZSA-N 1 3 316.449 2.107 20 0 DEADHO CN(C)[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)c1ccccc1 ZINC000635095558 406422751 /nfs/dbraw/zinc/42/27/51/406422751.db2.gz HOIIQDTVNUGAAL-KRWDZBQOSA-N 1 3 315.461 2.282 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000525306527 406484577 /nfs/dbraw/zinc/48/45/77/406484577.db2.gz MCMLYQDTGHTWJZ-BRWVUGGUSA-N 1 3 324.513 2.090 20 0 DEADHO O=C(NCCC[NH+]1CCCCCC1)[C@@H]1CCN1C1CCCC1 ZINC000635137998 406437057 /nfs/dbraw/zinc/43/70/57/406437057.db2.gz GIIYYBGJGGKMIZ-KRWDZBQOSA-N 1 3 307.482 2.386 20 0 DEADHO C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)C1=CCN(C)CC1 ZINC000548720295 406544633 /nfs/dbraw/zinc/54/46/33/406544633.db2.gz DWNRPNJWJPVUBC-OAHLLOKOSA-N 1 3 307.482 2.408 20 0 DEADHO C[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C1=CCN(C)CC1 ZINC000548720295 406544635 /nfs/dbraw/zinc/54/46/35/406544635.db2.gz DWNRPNJWJPVUBC-OAHLLOKOSA-N 1 3 307.482 2.408 20 0 DEADHO CC[NH2+][C@H](C)C(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC ZINC000638059644 406548753 /nfs/dbraw/zinc/54/87/53/406548753.db2.gz VTRCETLZIJXDRN-RHSMWYFYSA-N 1 3 321.465 2.192 20 0 DEADHO C[C@@H]1C[C@@H]([NH3+])CCN1CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000571696798 406553627 /nfs/dbraw/zinc/55/36/27/406553627.db2.gz OYMUGELBCFPGDY-HFTRVMKXSA-N 1 3 315.461 2.382 20 0 DEADHO Cc1noc([C@@H]2CCCN(Cc3ccc4c(c3)C[NH2+]CC4)C2)n1 ZINC000571810893 406570024 /nfs/dbraw/zinc/57/00/24/406570024.db2.gz HGRBACBEAGLHEZ-MRXNPFEDSA-N 1 3 312.417 2.403 20 0 DEADHO CO[C@@]1(CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CCOC1 ZINC000637979933 406507473 /nfs/dbraw/zinc/50/74/73/406507473.db2.gz VXEOKQDNYIOWOL-ZWKOTPCHSA-N 1 3 310.482 2.236 20 0 DEADHO CO[C@@]1(C[N@@H+]2CCC[C@@H](CN3CCC(C)CC3)C2)CCOC1 ZINC000637979933 406507479 /nfs/dbraw/zinc/50/74/79/406507479.db2.gz VXEOKQDNYIOWOL-ZWKOTPCHSA-N 1 3 310.482 2.236 20 0 DEADHO CO[C@@]1(C[N@H+]2CCC[C@@H](CN3CCC(C)CC3)C2)CCOC1 ZINC000637979933 406507484 /nfs/dbraw/zinc/50/74/84/406507484.db2.gz VXEOKQDNYIOWOL-ZWKOTPCHSA-N 1 3 310.482 2.236 20 0 DEADHO O[C@@H](CNC1CC[NH+](C2CC2)CC1)COc1ccccc1Cl ZINC000571790169 406567674 /nfs/dbraw/zinc/56/76/74/406567674.db2.gz BFRXAMNMDIGCHL-HNNXBMFYSA-N 1 3 324.852 2.296 20 0 DEADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000635568828 406595383 /nfs/dbraw/zinc/59/53/83/406595383.db2.gz NOROKOAUYZVUHI-MSOLQXFVSA-N 1 3 315.461 2.109 20 0 DEADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000635568828 406595392 /nfs/dbraw/zinc/59/53/92/406595392.db2.gz NOROKOAUYZVUHI-MSOLQXFVSA-N 1 3 315.461 2.109 20 0 DEADHO CO[C@@H](CN1CCC[C@@H]([NH+]2CCCC2)CC1)C1CCOCC1 ZINC000638104992 406571994 /nfs/dbraw/zinc/57/19/94/406571994.db2.gz ODLUDHGPNATBPU-MSOLQXFVSA-N 1 3 310.482 2.378 20 0 DEADHO CCO[C@H]1C[C@@](CO)(NC2CC[NH+](CC3CC3)CC2)C1(C)C ZINC000527113650 406585049 /nfs/dbraw/zinc/58/50/49/406585049.db2.gz WCPMWPHTELAXOU-WMZOPIPTSA-N 1 3 310.482 2.017 20 0 DEADHO CC[NH2+][C@@H](C)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000638302178 406684292 /nfs/dbraw/zinc/68/42/92/406684292.db2.gz GNZFDAMAWMUPPK-HNNXBMFYSA-N 1 3 318.465 2.154 20 0 DEADHO CN(CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)CC(C)(C)C ZINC000635719343 406702843 /nfs/dbraw/zinc/70/28/43/406702843.db2.gz KIEGYTSIOVJFSO-NVXWUHKLSA-N 1 3 321.509 2.440 20 0 DEADHO CN(CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)CC(C)(C)C ZINC000635719343 406702847 /nfs/dbraw/zinc/70/28/47/406702847.db2.gz KIEGYTSIOVJFSO-NVXWUHKLSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)C/C=C\C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000491643199 406647451 /nfs/dbraw/zinc/64/74/51/406647451.db2.gz NWBUBOTZMCCKLC-POHAHGRESA-N 1 3 307.482 2.219 20 0 DEADHO CN(C)C/C=C\C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000491643199 406647458 /nfs/dbraw/zinc/64/74/58/406647458.db2.gz NWBUBOTZMCCKLC-POHAHGRESA-N 1 3 307.482 2.219 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+]Cc2c(C)cccc2OC)CC1 ZINC000638363333 406725583 /nfs/dbraw/zinc/72/55/83/406725583.db2.gz MFKFQZYSVBUNLB-INIZCTEOSA-N 1 3 305.466 2.119 20 0 DEADHO Cc1ccc(NC(=O)N[C@H](C)C[C@H](C)[NH3+])c(OCCN(C)C)c1 ZINC000577492666 406837978 /nfs/dbraw/zinc/83/79/78/406837978.db2.gz NDVDPBAZUKNZJB-UONOGXRCSA-N 1 3 322.453 2.183 20 0 DEADHO O=C(C[C@@H]1CCC[NH2+]1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000646409962 406859576 /nfs/dbraw/zinc/85/95/76/406859576.db2.gz HSOJZAVSICCHHM-ROUUACIJSA-N 1 3 315.461 2.472 20 0 DEADHO O=C(NC[C@@H]1CCCC[NH2+]1)C1CCN(Cc2ccccc2)CC1 ZINC000646651236 406889532 /nfs/dbraw/zinc/88/95/32/406889532.db2.gz VDWSOYGQBKDPID-SFHVURJKSA-N 1 3 315.461 2.157 20 0 DEADHO CCc1nc(C)c(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)o1 ZINC000641799684 406894881 /nfs/dbraw/zinc/89/48/81/406894881.db2.gz PAFVUUZGCUAPBT-HUUCEWRRSA-N 1 3 307.438 2.264 20 0 DEADHO CCc1nc(C)c(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)o1 ZINC000641823574 406901792 /nfs/dbraw/zinc/90/17/92/406901792.db2.gz SBZWHVZNGAQZHP-RBSFLKMASA-N 1 3 307.438 2.406 20 0 DEADHO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000643294727 406976094 /nfs/dbraw/zinc/97/60/94/406976094.db2.gz MVGJKSQABBRSOX-NVXWUHKLSA-N 1 3 306.450 2.077 20 0 DEADHO C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000643294727 406976097 /nfs/dbraw/zinc/97/60/97/406976097.db2.gz MVGJKSQABBRSOX-NVXWUHKLSA-N 1 3 306.450 2.077 20 0 DEADHO CN(C)Cc1ccc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000646990452 406936035 /nfs/dbraw/zinc/93/60/35/406936035.db2.gz HWQIMFYBAKHQSP-UHFFFAOYSA-N 1 3 309.413 2.281 20 0 DEADHO CCN1CCN(c2cccc(N[C@H]3C[NH2+]C[C@@H](C)C3)c2)CC1 ZINC000647551213 407019142 /nfs/dbraw/zinc/01/91/42/407019142.db2.gz AVWKQNWVBSHHBC-DOTOQJQBSA-N 1 3 302.466 2.238 20 0 DEADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCCc2ncn(C)n2)CC1 ZINC000647325891 406986368 /nfs/dbraw/zinc/98/63/68/406986368.db2.gz SEDMATVHVBVSSO-WBVHZDCISA-N 1 3 319.497 2.380 20 0 DEADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CCCc2ncn(C)n2)CC1 ZINC000647325891 406986372 /nfs/dbraw/zinc/98/63/72/406986372.db2.gz SEDMATVHVBVSSO-WBVHZDCISA-N 1 3 319.497 2.380 20 0 DEADHO COc1ccc([C@H](CN[C@@H]2CCC[C@H]2[NH3+])N2CCCC2)cc1 ZINC000643456579 407002518 /nfs/dbraw/zinc/00/25/18/407002518.db2.gz JXZVXSVKKIBHTG-KURKYZTESA-N 1 3 303.450 2.302 20 0 DEADHO COc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2N)N2CCCC2)cc1 ZINC000643456579 407002520 /nfs/dbraw/zinc/00/25/20/407002520.db2.gz JXZVXSVKKIBHTG-KURKYZTESA-N 1 3 303.450 2.302 20 0 DEADHO C[C@@H](C(=O)N1CCC(C)CC1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976512 407091432 /nfs/dbraw/zinc/09/14/32/407091432.db2.gz POYCGJNVAHHQIW-BZSNNMDCSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H](C(=O)NC1CCCC1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976431 407091819 /nfs/dbraw/zinc/09/18/19/407091819.db2.gz OKCYELKJXISNOW-OAGGEKHMSA-N 1 3 307.482 2.145 20 0 DEADHO O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)N1CCCCCC1 ZINC000647975113 407091893 /nfs/dbraw/zinc/09/18/93/407091893.db2.gz LPPBXSAELCRRFG-IRXDYDNUSA-N 1 3 307.482 2.101 20 0 DEADHO CC[C@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)CCO1 ZINC000648461194 407184660 /nfs/dbraw/zinc/18/46/60/407184660.db2.gz WKGUEUXWWKGXIT-MSOLQXFVSA-N 1 3 323.525 2.484 20 0 DEADHO CCCN(C(=O)NCC[C@@H](C)[NH+]1CCCCC1)[C@H]1CCN(C)C1 ZINC000645427655 407277317 /nfs/dbraw/zinc/27/73/17/407277317.db2.gz MOTQERFBRGGYJM-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO Cc1ccccc1CN1CCCN(C(=O)[C@H]2CC[NH2+][C@H]2C)CC1 ZINC000645472037 407282630 /nfs/dbraw/zinc/28/26/30/407282630.db2.gz GMJCZWUBNBYUQB-WMZOPIPTSA-N 1 3 315.461 2.027 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1[NH2+]CC1(C)C)c1ccsc1 ZINC000645485159 407284018 /nfs/dbraw/zinc/28/40/18/407284018.db2.gz HXXKTMOTHZWKGH-KBPBESRZSA-N 1 3 309.479 2.245 20 0 DEADHO OCC1(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCCC1 ZINC000569801857 292442741 /nfs/dbraw/zinc/44/27/41/292442741.db2.gz JHZIMMFMYDYAKJ-QFBILLFUSA-N 1 3 316.445 2.385 20 0 DEADHO CN1C[C@@H]2CC[C@@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001422973899 1172989185 /nfs/dbraw/zinc/98/91/85/1172989185.db2.gz PYLBNQSIMQEXPV-MELADBBJSA-N 1 3 311.470 2.220 20 0 DEADHO C[C@@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)N1CCC[C@@H](C)C1 ZINC000189853762 225067179 /nfs/dbraw/zinc/06/71/79/225067179.db2.gz NMOMHKSRDKXFAW-CVEARBPZSA-N 1 3 324.513 2.233 20 0 DEADHO COC(=O)c1cc(C[NH2+]C2CCN(C3CCC3)CC2)n(C)c1C ZINC000291188253 222206353 /nfs/dbraw/zinc/20/63/53/222206353.db2.gz LRTNPRZSZRHDKH-UHFFFAOYSA-N 1 3 319.449 2.227 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)N(C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000416895618 228922129 /nfs/dbraw/zinc/92/21/29/228922129.db2.gz UWGPECDAQUYLPI-QGZVFWFLSA-N 1 3 318.465 2.032 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)N2CCCC[C@@H]2C[NH3+])N(C)C)cc1 ZINC000417304877 229005250 /nfs/dbraw/zinc/00/52/50/229005250.db2.gz FVHSWPTYQHOSHT-IAGOWNOFSA-N 1 3 318.465 2.121 20 0 DEADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000417337285 229010660 /nfs/dbraw/zinc/01/06/60/229010660.db2.gz XKUVPKRQMQURPE-YVSFHVDLSA-N 1 3 324.513 2.171 20 0 DEADHO C[C@@H]1[C@H](NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CCCN1C ZINC000417995894 229178547 /nfs/dbraw/zinc/17/85/47/229178547.db2.gz DOGZOCKLXRNSEJ-OIISXLGYSA-N 1 3 318.465 2.249 20 0 DEADHO C[C@@H](NC(=O)N1C[C@@H](C)NC[C@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000418180782 229257386 /nfs/dbraw/zinc/25/73/86/229257386.db2.gz KTKLUGQSWLPBKK-ANQUJSFKSA-N 1 3 318.465 2.070 20 0 DEADHO CN(C)CCN(Cc1ccccc1)C(=O)NC1CCC([NH3+])CC1 ZINC000418389287 229333174 /nfs/dbraw/zinc/33/31/74/229333174.db2.gz RIJQCCAFFZUMMJ-UHFFFAOYSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@@H](CC[NH3+])NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000418564789 229388911 /nfs/dbraw/zinc/38/89/11/229388911.db2.gz UUXWBBRXVCTGNB-JKSUJKDBSA-N 1 3 318.465 2.030 20 0 DEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCS(=O)(=O)Cc1ccccc1 ZINC000422709837 230171797 /nfs/dbraw/zinc/17/17/97/230171797.db2.gz KZHNDRPSUCVGRK-IRXDYDNUSA-N 1 3 324.490 2.099 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCCS(=O)(=O)Cc1ccccc1 ZINC000422709837 230171802 /nfs/dbraw/zinc/17/18/02/230171802.db2.gz KZHNDRPSUCVGRK-IRXDYDNUSA-N 1 3 324.490 2.099 20 0 DEADHO COCCN(C)CC[C@H](N[C@H](C)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000422713404 230174627 /nfs/dbraw/zinc/17/46/27/230174627.db2.gz JQVLIBWQTBSQCS-NEWSRXKRSA-N 1 3 319.493 2.284 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000422839597 230236138 /nfs/dbraw/zinc/23/61/38/230236138.db2.gz QUNOCGPHQLPJOK-YVVXQTMVSA-N 1 3 323.868 2.261 20 0 DEADHO Fc1cc(F)cc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422849124 230242757 /nfs/dbraw/zinc/24/27/57/230242757.db2.gz UPPBNUMBIDIGBQ-BRWVUGGUSA-N 1 3 310.388 2.254 20 0 DEADHO COC1CC[NH+](C(C)(C)CN[C@@H](C)c2cnccc2N)CC1 ZINC000422890601 230261021 /nfs/dbraw/zinc/26/10/21/230261021.db2.gz SNFAKAHJXYVBGN-ZDUSSCGKSA-N 1 3 306.454 2.034 20 0 DEADHO C[C@H](N)C[C@H](C)[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000422908767 230272069 /nfs/dbraw/zinc/27/20/69/230272069.db2.gz ZDLVBCFXDOTYRN-KBPBESRZSA-N 1 3 320.433 2.179 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000422908767 230272073 /nfs/dbraw/zinc/27/20/73/230272073.db2.gz ZDLVBCFXDOTYRN-KBPBESRZSA-N 1 3 320.433 2.179 20 0 DEADHO N[C@@H]1CCC[C@H]1[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000422941053 230288884 /nfs/dbraw/zinc/28/88/84/230288884.db2.gz HMLZKIPXDIXDEP-ZACQAIPSSA-N 1 3 323.868 2.183 20 0 DEADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCNC(=O)c1ccccc1Cl ZINC000422958368 230296385 /nfs/dbraw/zinc/29/63/85/230296385.db2.gz XKWWBUHYAZTKOD-WFASDCNBSA-N 1 3 309.841 2.048 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC1(c2ccc(F)cc2F)CC1 ZINC000423010525 230315240 /nfs/dbraw/zinc/31/52/40/230315240.db2.gz GTAKNAZAEWNOOA-RBOXIYTFSA-N 1 3 310.388 2.338 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2F)CC1 ZINC000423010525 230315245 /nfs/dbraw/zinc/31/52/45/230315245.db2.gz GTAKNAZAEWNOOA-RBOXIYTFSA-N 1 3 310.388 2.338 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NCCc1ccc(OCC(F)(F)F)nc1 ZINC000423056619 230331388 /nfs/dbraw/zinc/33/13/88/230331388.db2.gz XNMQMQVEACDCHB-QWRGUYRKSA-N 1 3 305.344 2.281 20 0 DEADHO C[C@H](N)C[C@H](C)[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000423056619 230331392 /nfs/dbraw/zinc/33/13/92/230331392.db2.gz XNMQMQVEACDCHB-QWRGUYRKSA-N 1 3 305.344 2.281 20 0 DEADHO NC[C@H]1CCC[C@H]1[NH2+]CCCCn1cc(Br)cn1 ZINC000423082083 230341896 /nfs/dbraw/zinc/34/18/96/230341896.db2.gz CLOSAACVGOPYQQ-DGCLKSJQSA-N 1 3 315.259 2.143 20 0 DEADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCCn1cc(Br)cn1 ZINC000423082549 230342525 /nfs/dbraw/zinc/34/25/25/230342525.db2.gz DJIMZBWDCFIZQU-GHMZBOCLSA-N 1 3 303.248 2.141 20 0 DEADHO CCC[NH+]1CCC(NC[C@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000648810384 424911145 /nfs/dbraw/zinc/91/11/45/424911145.db2.gz SXBVHYURDDPZOG-KRWDZBQOSA-N 1 3 313.449 2.401 20 0 DEADHO CN(C)CCOc1cccc(NC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)c1 ZINC000407362313 424932511 /nfs/dbraw/zinc/93/25/11/424932511.db2.gz IBNKNWLSUCKFPA-DLBZAZTESA-N 1 3 317.433 2.096 20 0 DEADHO CC[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)[C@H](O)C(F)F ZINC000648694015 424894666 /nfs/dbraw/zinc/89/46/66/424894666.db2.gz RLWOCMQNYQTVKJ-CABCVRRESA-N 1 3 316.392 2.121 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000648746962 424901499 /nfs/dbraw/zinc/90/14/99/424901499.db2.gz WHEFDSPRJBRZSY-XYVMCAHJSA-N 1 3 315.461 2.278 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000648746962 424901502 /nfs/dbraw/zinc/90/15/02/424901502.db2.gz WHEFDSPRJBRZSY-XYVMCAHJSA-N 1 3 315.461 2.278 20 0 DEADHO C[C@@H](C(=O)N1CCc2ccccc2[C@@H]1C[NH3+])N1CCCCCC1 ZINC000649371441 425003213 /nfs/dbraw/zinc/00/32/13/425003213.db2.gz GBNFMXOZCGNERT-YJBOKZPZSA-N 1 3 315.461 2.336 20 0 DEADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)CCN1CCCCC1 ZINC000650677373 425033633 /nfs/dbraw/zinc/03/36/33/425033633.db2.gz CLMBFACDJXWEOJ-INIZCTEOSA-N 1 3 312.502 2.090 20 0 DEADHO Cc1nn(C(C)C)cc1CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708275 425039196 /nfs/dbraw/zinc/03/91/96/425039196.db2.gz WVGIZSIQIZAAAP-SZMVWBNQSA-N 1 3 320.481 2.491 20 0 DEADHO CCOc1cccc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)n1 ZINC000650707687 425039490 /nfs/dbraw/zinc/03/94/90/425039490.db2.gz KUOVAKOBDVIMOQ-ZMSDIMECSA-N 1 3 319.449 2.199 20 0 DEADHO CC(C)(C)c1n[nH]cc1CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650706627 425039926 /nfs/dbraw/zinc/03/99/26/425039926.db2.gz OLYUTWQVZDJMNN-NUEKZKHPSA-N 1 3 320.481 2.426 20 0 DEADHO CC(C)n1cc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cn1 ZINC000650722794 425042793 /nfs/dbraw/zinc/04/27/93/425042793.db2.gz BINUPWQPVNXBQI-BRWVUGGUSA-N 1 3 306.454 2.325 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000651194536 425114419 /nfs/dbraw/zinc/11/44/19/425114419.db2.gz IWKZPUZTPANVKY-IAGOWNOFSA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000651194536 425114422 /nfs/dbraw/zinc/11/44/22/425114422.db2.gz IWKZPUZTPANVKY-IAGOWNOFSA-N 1 3 324.513 2.090 20 0 DEADHO Cc1cnc(CC[NH2+]Cc2ccc(OCCN(C)C)cc2)cn1 ZINC000651599348 425140718 /nfs/dbraw/zinc/14/07/18/425140718.db2.gz ZBWDPAPZZJRQGW-UHFFFAOYSA-N 1 3 314.433 2.058 20 0 DEADHO CC(C)[N@H+](C)C[C@H](O)CNCCc1cn(C)c2ccccc12 ZINC000656708509 425169616 /nfs/dbraw/zinc/16/96/16/425169616.db2.gz GUZYEPDEGRTKHO-MRXNPFEDSA-N 1 3 303.450 2.012 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](O)CNCCc1cn(C)c2ccccc12 ZINC000656708509 425169623 /nfs/dbraw/zinc/16/96/23/425169623.db2.gz GUZYEPDEGRTKHO-MRXNPFEDSA-N 1 3 303.450 2.012 20 0 DEADHO CC(C)[C@H]([NH3+])CCN[C@H](C)CC(=O)NCCc1ccccc1 ZINC000663504176 425174540 /nfs/dbraw/zinc/17/45/40/425174540.db2.gz XKFVGLSDVUKMQA-NVXWUHKLSA-N 1 3 305.466 2.087 20 0 DEADHO COc1cccc(NC(=O)C[C@@H](C)NCC[C@@H]([NH3+])C(C)C)c1 ZINC000663503036 425174684 /nfs/dbraw/zinc/17/46/84/425174684.db2.gz MKNNMGUOBBTUHK-CZUORRHYSA-N 1 3 307.438 2.375 20 0 DEADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000660612028 425174844 /nfs/dbraw/zinc/17/48/44/425174844.db2.gz QPBBAMORCQSEFX-XHSDSOJGSA-N 1 3 324.513 2.421 20 0 DEADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000660612028 425174849 /nfs/dbraw/zinc/17/48/49/425174849.db2.gz QPBBAMORCQSEFX-XHSDSOJGSA-N 1 3 324.513 2.421 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000666753951 425174992 /nfs/dbraw/zinc/17/49/92/425174992.db2.gz DBHHMTAQCVASIL-KRWDZBQOSA-N 1 3 324.513 2.234 20 0 DEADHO CCC[N@H+](C)CC(C)(C)NC(=O)NC1CCN(C2CC2)CC1 ZINC000663546263 425181858 /nfs/dbraw/zinc/18/18/58/425181858.db2.gz UUIDHKOCGJFHEB-UHFFFAOYSA-N 1 3 310.486 2.033 20 0 DEADHO CCC[N@@H+](C)CC(C)(C)NC(=O)NC1CCN(C2CC2)CC1 ZINC000663546263 425181862 /nfs/dbraw/zinc/18/18/62/425181862.db2.gz UUIDHKOCGJFHEB-UHFFFAOYSA-N 1 3 310.486 2.033 20 0 DEADHO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)[C@H](C)C2 ZINC000656792589 425190623 /nfs/dbraw/zinc/19/06/23/425190623.db2.gz TVOSPNYNFJVMLQ-CLCXKQKWSA-N 1 3 315.461 2.015 20 0 DEADHO c1cc([C@@H]2CNCCO2)ccc1N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000656792078 425191476 /nfs/dbraw/zinc/19/14/76/425191476.db2.gz IVGYIDKFLIRNQC-ONIAQPFYSA-N 1 3 301.434 2.148 20 0 DEADHO Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@]3(CCN(C)C3)C2)cc1 ZINC000660654378 425194464 /nfs/dbraw/zinc/19/44/64/425194464.db2.gz HGZJYZGIDUSLBS-MJGOQNOKSA-N 1 3 318.461 2.152 20 0 DEADHO Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@]3(CCN(C)C3)C2)cc1 ZINC000660654378 425194467 /nfs/dbraw/zinc/19/44/67/425194467.db2.gz HGZJYZGIDUSLBS-MJGOQNOKSA-N 1 3 318.461 2.152 20 0 DEADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC[C@]3(O)CCOC3)CC2)C1 ZINC000651944319 425153005 /nfs/dbraw/zinc/15/30/05/425153005.db2.gz SEIKWRPMDLLFTM-NXHRZFHOSA-N 1 3 310.482 2.161 20 0 DEADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CC[C@]3(O)CCOC3)CC2)C1 ZINC000651944319 425153006 /nfs/dbraw/zinc/15/30/06/425153006.db2.gz SEIKWRPMDLLFTM-NXHRZFHOSA-N 1 3 310.482 2.161 20 0 DEADHO CC(C)N(C)C[C@H](O)C[N@H+](C)CCCOc1ccc(F)cc1 ZINC000656695324 425163570 /nfs/dbraw/zinc/16/35/70/425163570.db2.gz GHWNJPUUBGNVTG-MRXNPFEDSA-N 1 3 312.429 2.228 20 0 DEADHO CC(C)N(C)C[C@H](O)C[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000656695324 425163572 /nfs/dbraw/zinc/16/35/72/425163572.db2.gz GHWNJPUUBGNVTG-MRXNPFEDSA-N 1 3 312.429 2.228 20 0 DEADHO CC(C)c1ccnc(N2CCN(C[C@@H]3CC[NH2+][C@H](C)C3)CC2)n1 ZINC000666699838 425164459 /nfs/dbraw/zinc/16/44/59/425164459.db2.gz YHXINJQCRUZVQN-HZPDHXFCSA-N 1 3 317.481 2.110 20 0 DEADHO CCc1noc(C)c1CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348671 425243845 /nfs/dbraw/zinc/24/38/45/425243845.db2.gz MLQUPDMERSCODD-VBQJREDUSA-N 1 3 307.438 2.264 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000660840575 425253166 /nfs/dbraw/zinc/25/31/66/425253166.db2.gz ZKXZCYJZCVPVTM-IAGOWNOFSA-N 1 3 324.513 2.136 20 0 DEADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000660840575 425253168 /nfs/dbraw/zinc/25/31/68/425253168.db2.gz ZKXZCYJZCVPVTM-IAGOWNOFSA-N 1 3 324.513 2.136 20 0 DEADHO CCC(C)(C)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000657071115 425253392 /nfs/dbraw/zinc/25/33/92/425253392.db2.gz FPGWJVVQEQXRQT-AWEZNQCLSA-N 1 3 300.491 2.088 20 0 DEADHO CCC(C)(C)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000657071115 425253397 /nfs/dbraw/zinc/25/33/97/425253397.db2.gz FPGWJVVQEQXRQT-AWEZNQCLSA-N 1 3 300.491 2.088 20 0 DEADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000660869894 425263052 /nfs/dbraw/zinc/26/30/52/425263052.db2.gz UUJAHZCZCWXZEU-ARFHVFGLSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1nnc(C(F)F)s1 ZINC000664196232 425330373 /nfs/dbraw/zinc/33/03/73/425330373.db2.gz QVVRJIDMMGZXJE-VIFPVBQESA-N 1 3 307.414 2.160 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1nnc(C(F)F)s1 ZINC000664196232 425330376 /nfs/dbraw/zinc/33/03/76/425330376.db2.gz QVVRJIDMMGZXJE-VIFPVBQESA-N 1 3 307.414 2.160 20 0 DEADHO OC[C@H]1CCC[N@@H+]1CCCCNCc1ccc(F)c(F)c1F ZINC000657356314 425313786 /nfs/dbraw/zinc/31/37/86/425313786.db2.gz KGTMCJCVAWTZGO-CYBMUJFWSA-N 1 3 316.367 2.430 20 0 DEADHO OC[C@H]1CCC[N@H+]1CCCCNCc1ccc(F)c(F)c1F ZINC000657356314 425313791 /nfs/dbraw/zinc/31/37/91/425313791.db2.gz KGTMCJCVAWTZGO-CYBMUJFWSA-N 1 3 316.367 2.430 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N3C4CCC3CC4)CC2)CC1 ZINC000654429866 425351458 /nfs/dbraw/zinc/35/14/58/425351458.db2.gz ACCYXWPEUKJUAI-UHFFFAOYSA-N 1 3 319.493 2.336 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000661198991 425348610 /nfs/dbraw/zinc/34/86/10/425348610.db2.gz WTJQXQNLYYQDOP-HOTGVXAUSA-N 1 3 312.502 2.135 20 0 DEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000661198991 425348612 /nfs/dbraw/zinc/34/86/12/425348612.db2.gz WTJQXQNLYYQDOP-HOTGVXAUSA-N 1 3 312.502 2.135 20 0 DEADHO CCC[NH+]1CCC(NC(=O)N2CCN(C(C)(C)CC)CC2)CC1 ZINC000654459839 425359842 /nfs/dbraw/zinc/35/98/42/425359842.db2.gz DFOBBXHAJUXBHK-UHFFFAOYSA-N 1 3 324.513 2.377 20 0 DEADHO CC[NH+](CC)Cc1ccccc1CN[C@H](C)Cn1cncn1 ZINC000657825932 425405995 /nfs/dbraw/zinc/40/59/95/425405995.db2.gz GDEJXPIREZPCEY-OAHLLOKOSA-N 1 3 301.438 2.298 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653111518 425407025 /nfs/dbraw/zinc/40/70/25/425407025.db2.gz QPYLKVYHTWBUBP-CQSZACIVSA-N 1 3 305.422 2.085 20 0 DEADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]CC1 ZINC000653111739 425407574 /nfs/dbraw/zinc/40/75/74/425407574.db2.gz YVSSHKZUFXOMEY-QZTJIDSGSA-N 1 3 315.461 2.157 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000654481833 425364721 /nfs/dbraw/zinc/36/47/21/425364721.db2.gz PLGFNTDXQLEXLB-HUUCEWRRSA-N 1 3 322.497 2.127 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000654481833 425364726 /nfs/dbraw/zinc/36/47/26/425364726.db2.gz PLGFNTDXQLEXLB-HUUCEWRRSA-N 1 3 322.497 2.127 20 0 DEADHO CC(C)(C)N1CC[C@H]1CNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000661287747 425369762 /nfs/dbraw/zinc/36/97/62/425369762.db2.gz GQJYGUBOZCJIQQ-INIZCTEOSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CCO1 ZINC000657612891 425375659 /nfs/dbraw/zinc/37/56/59/425375659.db2.gz DLVIVOHMTYLBSK-YJBOKZPZSA-N 1 3 303.450 2.451 20 0 DEADHO CC[C@@H]1CCC[C@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664401410 425376252 /nfs/dbraw/zinc/37/62/52/425376252.db2.gz RUVOPVHBQIWCAU-ARFHVFGLSA-N 1 3 312.502 2.136 20 0 DEADHO CC[C@@H]1CCC[C@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664401410 425376257 /nfs/dbraw/zinc/37/62/57/425376257.db2.gz RUVOPVHBQIWCAU-ARFHVFGLSA-N 1 3 312.502 2.136 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000653148595 425418642 /nfs/dbraw/zinc/41/86/42/425418642.db2.gz DSCCGMKQVVVNFO-SFHVURJKSA-N 1 3 317.477 2.486 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H]2CCN(C(C)(C)C)C2)C1 ZINC000661509120 425429716 /nfs/dbraw/zinc/42/97/16/425429716.db2.gz XSQOQZDXIRDMIU-CVEARBPZSA-N 1 3 324.513 2.233 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H]2CCN(C(C)(C)C)C2)C1 ZINC000661509120 425429717 /nfs/dbraw/zinc/42/97/17/425429717.db2.gz XSQOQZDXIRDMIU-CVEARBPZSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H](CCNC(=O)NC[C@H]1CCN1C(C)(C)C)[NH+]1CCCCC1 ZINC000664643427 425430589 /nfs/dbraw/zinc/43/05/89/425430589.db2.gz FOQMUCOAOLCJNL-HZPDHXFCSA-N 1 3 324.513 2.423 20 0 DEADHO CCN(C(=O)NCC[C@H](C)[NH+]1CCCCC1)[C@@H]1CCN(CC)C1 ZINC000664643699 425430658 /nfs/dbraw/zinc/43/06/58/425430658.db2.gz UTARFOWRURABOB-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO Cc1nccnc1[C@H](C)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000658070305 425433691 /nfs/dbraw/zinc/43/36/91/425433691.db2.gz NWMSQBZEAVLBOT-HNNXBMFYSA-N 1 3 318.465 2.327 20 0 DEADHO COC[C@@H](CCC[NH3+])N[C@H]1CCc2ccccc2-n2ccnc21 ZINC000665298977 425539797 /nfs/dbraw/zinc/53/97/97/425539797.db2.gz DHSUGLGDNFNFHD-CVEARBPZSA-N 1 3 314.433 2.203 20 0 DEADHO Cc1ccc(NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)c(CN(C)C)c1 ZINC000655448354 425570007 /nfs/dbraw/zinc/57/00/07/425570007.db2.gz GCSAKVDJYUJAKO-YJBOKZPZSA-N 1 3 301.434 2.385 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)C[C@@H](C)C2CC[NH2+]CC2)CC1 ZINC000655494855 425581583 /nfs/dbraw/zinc/58/15/83/425581583.db2.gz PALARJQCFPKHDY-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@H]1CCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665640438 425611311 /nfs/dbraw/zinc/61/13/11/425611311.db2.gz UUMIBYJAFLKUHC-JKSUJKDBSA-N 1 3 312.502 2.088 20 0 DEADHO CC(C)[C@H]1CCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665640438 425611313 /nfs/dbraw/zinc/61/13/13/425611313.db2.gz UUMIBYJAFLKUHC-JKSUJKDBSA-N 1 3 312.502 2.088 20 0 DEADHO CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@@H](C)C(C)C ZINC000665640369 425611329 /nfs/dbraw/zinc/61/13/29/425611329.db2.gz SFMJJNZATNVNQG-HOTGVXAUSA-N 1 3 314.518 2.334 20 0 DEADHO CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@@H](C)C(C)C ZINC000665640369 425611330 /nfs/dbraw/zinc/61/13/30/425611330.db2.gz SFMJJNZATNVNQG-HOTGVXAUSA-N 1 3 314.518 2.334 20 0 DEADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000665555523 425597109 /nfs/dbraw/zinc/59/71/09/425597109.db2.gz FWLVDGVKIKFSKU-JKSUJKDBSA-N 1 3 324.513 2.375 20 0 DEADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000665555523 425597115 /nfs/dbraw/zinc/59/71/15/425597115.db2.gz FWLVDGVKIKFSKU-JKSUJKDBSA-N 1 3 324.513 2.375 20 0 DEADHO COc1ccccc1C[C@H]1CCC[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662254156 425601074 /nfs/dbraw/zinc/60/10/74/425601074.db2.gz MOWBJUOVYIVWDR-IAGOWNOFSA-N 1 3 316.445 2.223 20 0 DEADHO COc1ccccc1C[C@H]1CCC[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662254156 425601076 /nfs/dbraw/zinc/60/10/76/425601076.db2.gz MOWBJUOVYIVWDR-IAGOWNOFSA-N 1 3 316.445 2.223 20 0 DEADHO COc1cc(CN(C)C[C@@H]2CCC3(C[NH2+]C3)O2)ccc1SC ZINC000662255308 425601958 /nfs/dbraw/zinc/60/19/58/425601958.db2.gz XRPCGDKHVGBNSH-AWEZNQCLSA-N 1 3 322.474 2.370 20 0 DEADHO Fc1cccc(C[C@@H]2CCC[N@@H+]2C[C@H]2CCC3(CNC3)O2)c1 ZINC000662251917 425602193 /nfs/dbraw/zinc/60/21/93/425602193.db2.gz IOEBISBTMHBQTF-DLBZAZTESA-N 1 3 304.409 2.354 20 0 DEADHO Fc1cccc(C[C@@H]2CCC[N@H+]2C[C@H]2CCC3(CNC3)O2)c1 ZINC000662251917 425602196 /nfs/dbraw/zinc/60/21/96/425602196.db2.gz IOEBISBTMHBQTF-DLBZAZTESA-N 1 3 304.409 2.354 20 0 DEADHO COCC[N@H+](CCCc1ccccc1)C[C@@H]1CCC2(CNC2)O1 ZINC000662253807 425602321 /nfs/dbraw/zinc/60/23/21/425602321.db2.gz LDBQXSGNEQCMCU-SFHVURJKSA-N 1 3 318.461 2.089 20 0 DEADHO COCC[N@@H+](CCCc1ccccc1)C[C@@H]1CCC2(CNC2)O1 ZINC000662253807 425602323 /nfs/dbraw/zinc/60/23/23/425602323.db2.gz LDBQXSGNEQCMCU-SFHVURJKSA-N 1 3 318.461 2.089 20 0 DEADHO CN(CC(C)(C)[NH3+])C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000659437807 425602420 /nfs/dbraw/zinc/60/24/20/425602420.db2.gz IJFRTFTZCGTABW-INIZCTEOSA-N 1 3 318.465 2.030 20 0 DEADHO c1ccc([C@@H]2CN(C[C@H]3CCC4(C[NH2+]C4)O3)CCS2)cc1 ZINC000662254808 425602967 /nfs/dbraw/zinc/60/29/67/425602967.db2.gz MIBDOSDXFNJNEH-CVEARBPZSA-N 1 3 304.459 2.298 20 0 DEADHO CCCCO[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCC3(CNC3)O2)C1(C)C ZINC000662258121 425604938 /nfs/dbraw/zinc/60/49/38/425604938.db2.gz IKCVOZVTHKWTHT-BZUAXINKSA-N 1 3 310.482 2.423 20 0 DEADHO CCCCO[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CCC3(CNC3)O2)C1(C)C ZINC000662258121 425604941 /nfs/dbraw/zinc/60/49/41/425604941.db2.gz IKCVOZVTHKWTHT-BZUAXINKSA-N 1 3 310.482 2.423 20 0 DEADHO CN(CC(C)(C)[NH3+])C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000659455645 425608021 /nfs/dbraw/zinc/60/80/21/425608021.db2.gz BKUALJQRHCEZIF-MRXNPFEDSA-N 1 3 318.465 2.030 20 0 DEADHO CC[C@@H]([NH2+]C)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000662425221 425648006 /nfs/dbraw/zinc/64/80/06/425648006.db2.gz CDKKNASHFKGEFF-IAGOWNOFSA-N 1 3 303.450 2.246 20 0 DEADHO CN[C@@H](C)C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000662507167 425669045 /nfs/dbraw/zinc/66/90/45/425669045.db2.gz PRDQRZATBWLTOS-YQQAZPJKSA-N 1 3 303.450 2.011 20 0 DEADHO CN[C@@H](C)C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000662507167 425669049 /nfs/dbraw/zinc/66/90/49/425669049.db2.gz PRDQRZATBWLTOS-YQQAZPJKSA-N 1 3 303.450 2.011 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000662523694 425673773 /nfs/dbraw/zinc/67/37/73/425673773.db2.gz QXFSBXWAJWFJNF-LESCRADOSA-N 1 3 313.445 2.069 20 0 DEADHO CC[C@@H]1CCCCN1C(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292932 425615554 /nfs/dbraw/zinc/61/55/54/425615554.db2.gz CDCPYVIWEOZSES-QZTJIDSGSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)[C@H](C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)N1CCCC1 ZINC000655687445 425628193 /nfs/dbraw/zinc/62/81/93/425628193.db2.gz PIVKKEIYKHKGSG-MOPGFXCFSA-N 1 3 323.525 2.340 20 0 DEADHO CC(C)[NH+](CCNC(=O)c1cc2c(s1)CCNC2)C(C)C ZINC000662344545 425629079 /nfs/dbraw/zinc/62/90/79/425629079.db2.gz QPIXRBMJHHZVSF-UHFFFAOYSA-N 1 3 309.479 2.242 20 0 DEADHO CC1CC[NH+](CCCNC(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662356308 425631390 /nfs/dbraw/zinc/63/13/90/425631390.db2.gz NZTYPBXPBXVUAY-GOSISDBHSA-N 1 3 315.461 2.459 20 0 DEADHO CCCN1CC[C@H](NC(=O)N(CCC[NH3+])Cc2ccccc2)C1 ZINC000659611277 425636829 /nfs/dbraw/zinc/63/68/29/425636829.db2.gz RBIXDWSIOKVCLP-KRWDZBQOSA-N 1 3 318.465 2.031 20 0 DEADHO C[C@@H]1CCC[N@H+](CCNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662386706 425638293 /nfs/dbraw/zinc/63/82/93/425638293.db2.gz FOUBHXYULBUDQU-PBHICJAKSA-N 1 3 301.434 2.069 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662386706 425638295 /nfs/dbraw/zinc/63/82/95/425638295.db2.gz FOUBHXYULBUDQU-PBHICJAKSA-N 1 3 301.434 2.069 20 0 DEADHO CC[C@@]1(C)CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665759917 425640707 /nfs/dbraw/zinc/64/07/07/425640707.db2.gz TUJGEWDVBHPGNZ-RDJZCZTQSA-N 1 3 312.502 2.090 20 0 DEADHO CC[C@@]1(C)CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665759917 425640710 /nfs/dbraw/zinc/64/07/10/425640710.db2.gz TUJGEWDVBHPGNZ-RDJZCZTQSA-N 1 3 312.502 2.090 20 0 DEADHO NC1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC2(CCC2)C1 ZINC000662804317 425739175 /nfs/dbraw/zinc/73/91/75/425739175.db2.gz DMUHADIGKWMILS-GOEBONIOSA-N 1 3 317.477 2.123 20 0 DEADHO NC1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC2(CCC2)C1 ZINC000662804317 425739177 /nfs/dbraw/zinc/73/91/77/425739177.db2.gz DMUHADIGKWMILS-GOEBONIOSA-N 1 3 317.477 2.123 20 0 DEADHO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)C1(NC2CC2)CCC1 ZINC000662815717 425742567 /nfs/dbraw/zinc/74/25/67/425742567.db2.gz SPLOTPBHTJJUJQ-UHFFFAOYSA-N 1 3 320.462 2.223 20 0 DEADHO C[C@H](CC(=O)N[C@@H]1CCCN2CCCC[C@H]12)[C@H]1CCC[NH2+]C1 ZINC000662837225 425743518 /nfs/dbraw/zinc/74/35/18/425743518.db2.gz HJPAPYOUVQMUHR-YYIAUSFCSA-N 1 3 307.482 2.145 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662598409 425690678 /nfs/dbraw/zinc/69/06/78/425690678.db2.gz VJJXGLADQKOZJF-SJORKVTESA-N 1 3 307.482 2.099 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)N(C)CC(C)(C)[NH3+] ZINC000662610017 425693107 /nfs/dbraw/zinc/69/31/07/425693107.db2.gz HTKDURZXUCMZEM-UHFFFAOYSA-N 1 3 303.406 2.304 20 0 DEADHO CO[C@H](C[NH+]1CCC(N(C)CCCO)CC1)C1CCCCC1 ZINC000659930760 425693559 /nfs/dbraw/zinc/69/35/59/425693559.db2.gz FXOCTJKEWBALBP-GOSISDBHSA-N 1 3 312.498 2.360 20 0 DEADHO COc1ccccc1[C@H]1CC[N@H+](C[C@H](O)CN(C)C(C)C)C1 ZINC000659943648 425696336 /nfs/dbraw/zinc/69/63/36/425696336.db2.gz DPCNLRGKTKARTI-JKSUJKDBSA-N 1 3 306.450 2.186 20 0 DEADHO COc1ccccc1[C@H]1CC[N@@H+](C[C@H](O)CN(C)C(C)C)C1 ZINC000659943648 425696340 /nfs/dbraw/zinc/69/63/40/425696340.db2.gz DPCNLRGKTKARTI-JKSUJKDBSA-N 1 3 306.450 2.186 20 0 DEADHO CC(C)CNC(=O)CCC[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000659957800 425699186 /nfs/dbraw/zinc/69/91/86/425699186.db2.gz XVJNMDRIAFXYLM-QGZVFWFLSA-N 1 3 309.498 2.347 20 0 DEADHO CC(C)CNC(=O)CCC[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000659957800 425699188 /nfs/dbraw/zinc/69/91/88/425699188.db2.gz XVJNMDRIAFXYLM-QGZVFWFLSA-N 1 3 309.498 2.347 20 0 DEADHO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000662837265 425744197 /nfs/dbraw/zinc/74/41/97/425744197.db2.gz HUDZVVAAFJXGSC-VVLHAWIVSA-N 1 3 307.482 2.417 20 0 DEADHO NC1(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC2(CCC2)C1 ZINC000662676596 425709102 /nfs/dbraw/zinc/70/91/02/425709102.db2.gz YSVXKYFKFGJYBE-UHFFFAOYSA-N 1 3 305.466 2.171 20 0 DEADHO O=C(N1CCC([NH+]2CCCCC2)CC1)C1(NC2CC2)CCC1 ZINC000662672572 425709448 /nfs/dbraw/zinc/70/94/48/425709448.db2.gz BRRLJBOJSMAUSE-UHFFFAOYSA-N 1 3 305.466 2.138 20 0 DEADHO C[C@@H](CNC(=O)c1cccc2c1CNC2)[N@@H+]1CCCC[C@H]1C ZINC000662679488 425710947 /nfs/dbraw/zinc/71/09/47/425710947.db2.gz OZEQBYWBOHGPFA-KGLIPLIRSA-N 1 3 301.434 2.283 20 0 DEADHO C[C@@H](CNC(=O)c1cccc2c1CNC2)[N@H+]1CCCC[C@H]1C ZINC000662679488 425710948 /nfs/dbraw/zinc/71/09/48/425710948.db2.gz OZEQBYWBOHGPFA-KGLIPLIRSA-N 1 3 301.434 2.283 20 0 DEADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C[C@H]1NCc2ccccc21 ZINC000662684225 425712344 /nfs/dbraw/zinc/71/23/44/425712344.db2.gz CDWQBRPDYTVNJP-WMLDXEAASA-N 1 3 301.434 2.021 20 0 DEADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C[C@H]1NCc2ccccc21 ZINC000662684225 425712348 /nfs/dbraw/zinc/71/23/48/425712348.db2.gz CDWQBRPDYTVNJP-WMLDXEAASA-N 1 3 301.434 2.021 20 0 DEADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C[C@@H](N)c1ccccc1 ZINC000662695046 425714110 /nfs/dbraw/zinc/71/41/10/425714110.db2.gz WWBMCACYSUEEFJ-DOTOQJQBSA-N 1 3 303.450 2.313 20 0 DEADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1CNCc2ccccc21 ZINC000662695275 425715439 /nfs/dbraw/zinc/71/54/39/425715439.db2.gz YTJHTUGEQPMACP-QAPCUYQASA-N 1 3 315.461 2.110 20 0 DEADHO [NH3+]C1(CC(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000662703396 425716884 /nfs/dbraw/zinc/71/68/84/425716884.db2.gz HHYDILOHMQIHDB-UHFFFAOYSA-N 1 3 319.474 2.098 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)CC2([NH3+])CC2)CC1 ZINC000662721606 425721727 /nfs/dbraw/zinc/72/17/27/425721727.db2.gz RJVQSSVRFIJIMR-CQSZACIVSA-N 1 3 301.434 2.210 20 0 DEADHO C[NH+](C)CC[C@@H](NC(=O)c1cccc2c1CNC2)C(C)(C)C ZINC000662733134 425724838 /nfs/dbraw/zinc/72/48/38/425724838.db2.gz HUWHLUOWEXVWRA-MRXNPFEDSA-N 1 3 303.450 2.386 20 0 DEADHO C[NH+](C)CC[C@@H](NC(=O)c1cccc2c1CCNC2)C(C)(C)C ZINC000662733507 425724865 /nfs/dbraw/zinc/72/48/65/425724865.db2.gz KVKHCXIXKPKSNQ-QGZVFWFLSA-N 1 3 317.477 2.429 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](NC[C@H](c2cccc(F)c2)N2CCOCC2)C1 ZINC000656196083 425728571 /nfs/dbraw/zinc/72/85/71/425728571.db2.gz YHUBMFFPWKGYKD-FGTMMUONSA-N 1 3 321.440 2.059 20 0 DEADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cccc2c1CNC2 ZINC000662746049 425728773 /nfs/dbraw/zinc/72/87/73/425728773.db2.gz QOUFMPAZZDHLNL-HNNXBMFYSA-N 1 3 301.434 2.236 20 0 DEADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cccc2c1CNC2 ZINC000662746049 425728776 /nfs/dbraw/zinc/72/87/76/425728776.db2.gz QOUFMPAZZDHLNL-HNNXBMFYSA-N 1 3 301.434 2.236 20 0 DEADHO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc2c1CNC2 ZINC000663005897 425777582 /nfs/dbraw/zinc/77/75/82/425777582.db2.gz ZQFCXDCSDKAUNF-OAHLLOKOSA-N 1 3 313.445 2.142 20 0 DEADHO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc2c1CNC2 ZINC000663005897 425777584 /nfs/dbraw/zinc/77/75/84/425777584.db2.gz ZQFCXDCSDKAUNF-OAHLLOKOSA-N 1 3 313.445 2.142 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000660281552 425782719 /nfs/dbraw/zinc/78/27/19/425782719.db2.gz XGWFVFRCXFQPER-MRXNPFEDSA-N 1 3 324.513 2.425 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000660281552 425782724 /nfs/dbraw/zinc/78/27/24/425782724.db2.gz XGWFVFRCXFQPER-MRXNPFEDSA-N 1 3 324.513 2.425 20 0 DEADHO CCCN1CC[C@H](NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)C1 ZINC000660338676 425796472 /nfs/dbraw/zinc/79/64/72/425796472.db2.gz CKMOLEWCPBFNQN-XHSDSOJGSA-N 1 3 310.486 2.033 20 0 DEADHO CCCN1CC[C@H](NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)C1 ZINC000660338676 425796475 /nfs/dbraw/zinc/79/64/75/425796475.db2.gz CKMOLEWCPBFNQN-XHSDSOJGSA-N 1 3 310.486 2.033 20 0 DEADHO CCN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1CCN(CC)C1 ZINC000663409239 425836499 /nfs/dbraw/zinc/83/64/99/425836499.db2.gz LJSWNQHMDOULLP-OAHLLOKOSA-N 1 3 324.513 2.421 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001423349972 1173279547 /nfs/dbraw/zinc/27/95/47/1173279547.db2.gz IXSZCXFRFWRITA-SFHVURJKSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[N@H+]1CCC[C@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001423349972 1173279551 /nfs/dbraw/zinc/27/95/51/1173279551.db2.gz IXSZCXFRFWRITA-SFHVURJKSA-N 1 3 309.498 2.297 20 0 DEADHO CCC(C)(C)NC(=O)[C@@H](C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374075147 269090933 /nfs/dbraw/zinc/09/09/33/269090933.db2.gz QMCOXMFNXQPQSA-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CCC(CC)(C[NH3+])C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000390009801 269097404 /nfs/dbraw/zinc/09/74/04/269097404.db2.gz YOONZFXHWLLEKT-RDJZCZTQSA-N 1 3 317.477 2.388 20 0 DEADHO OC1(C[NH2+]C2CCSCC2)CCN(Cc2ccccc2)CC1 ZINC000397511318 269106809 /nfs/dbraw/zinc/10/68/09/269106809.db2.gz OCKIMAOVBRSPEG-UHFFFAOYSA-N 1 3 320.502 2.499 20 0 DEADHO CC(C)[NH2+]CCC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000398081838 269108345 /nfs/dbraw/zinc/10/83/45/269108345.db2.gz SAHOAJCOJUDKHJ-RDJZCZTQSA-N 1 3 303.450 2.154 20 0 DEADHO N[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000399245835 269111501 /nfs/dbraw/zinc/11/15/01/269111501.db2.gz VWCQOLGBVXYLTK-SFHVURJKSA-N 1 3 315.461 2.142 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000405531216 269113211 /nfs/dbraw/zinc/11/32/11/269113211.db2.gz MYXZTEAKALFEPW-HYVNUMGLSA-N 1 3 303.450 2.141 20 0 DEADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2CCCNC(=O)OC(C)(C)C)C1 ZINC000497227895 269295177 /nfs/dbraw/zinc/29/51/77/269295177.db2.gz PMVSXBHHSGBUCX-LSDHHAIUSA-N 1 3 311.470 2.317 20 0 DEADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2CCCNC(=O)OC(C)(C)C)C1 ZINC000497227895 269295178 /nfs/dbraw/zinc/29/51/78/269295178.db2.gz PMVSXBHHSGBUCX-LSDHHAIUSA-N 1 3 311.470 2.317 20 0 DEADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2CCCNC(=O)OC(C)(C)C)C1 ZINC000497227895 269295179 /nfs/dbraw/zinc/29/51/79/269295179.db2.gz PMVSXBHHSGBUCX-LSDHHAIUSA-N 1 3 311.470 2.317 20 0 DEADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2CCCNC(=O)OC(C)(C)C)C1 ZINC000497227895 269295180 /nfs/dbraw/zinc/29/51/80/269295180.db2.gz PMVSXBHHSGBUCX-LSDHHAIUSA-N 1 3 311.470 2.317 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)N(C)C ZINC000511255167 269320701 /nfs/dbraw/zinc/32/07/01/269320701.db2.gz VJWUIUVJZNDXTA-INMHGKMJSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)N(C)C ZINC000511255167 269320703 /nfs/dbraw/zinc/32/07/03/269320703.db2.gz VJWUIUVJZNDXTA-INMHGKMJSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)N(C)CCC[NH+](C)C)cc1 ZINC000514722030 269329280 /nfs/dbraw/zinc/32/92/80/269329280.db2.gz NFEYQRRWMAYEMK-KRWDZBQOSA-N 1 3 320.481 2.403 20 0 DEADHO C[NH2+][C@@H](C)C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000514799409 269332647 /nfs/dbraw/zinc/33/26/47/269332647.db2.gz URRJAZWGKABKIL-YOEHRIQHSA-N 1 3 317.477 2.184 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC000517100535 269377448 /nfs/dbraw/zinc/37/74/48/269377448.db2.gz VNBZYAVOGILPGO-HZPDHXFCSA-N 1 3 322.497 2.164 20 0 DEADHO NC[C@H]1CCC[C@H]1[NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000517229987 269379728 /nfs/dbraw/zinc/37/97/28/269379728.db2.gz WKYAROXQBANSMK-JHJVBQTASA-N 1 3 321.387 2.037 20 0 DEADHO [NH3+]C[C@H]1CCC[C@H]1N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000517229987 269379730 /nfs/dbraw/zinc/37/97/30/269379730.db2.gz WKYAROXQBANSMK-JHJVBQTASA-N 1 3 321.387 2.037 20 0 DEADHO CC[N@@H+]1CC[C@H](NCCN2CCc3ccccc3C2)[C@H](C)C1 ZINC000121735698 276228802 /nfs/dbraw/zinc/22/88/02/276228802.db2.gz DCMYGVYXAFVPSJ-APWZRJJASA-N 1 3 301.478 2.365 20 0 DEADHO CC[N@H+]1CC[C@H](NCCN2CCc3ccccc3C2)[C@H](C)C1 ZINC000121735698 276228805 /nfs/dbraw/zinc/22/88/05/276228805.db2.gz DCMYGVYXAFVPSJ-APWZRJJASA-N 1 3 301.478 2.365 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457622269 276231888 /nfs/dbraw/zinc/23/18/88/276231888.db2.gz GCMCDLUYNZPUQW-MSOLQXFVSA-N 1 3 319.493 2.336 20 0 DEADHO CCC[C@](C)(O)CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422979412 276292644 /nfs/dbraw/zinc/29/26/44/276292644.db2.gz MQHSCBIZMYLPQT-SZMVWBNQSA-N 1 3 304.434 2.383 20 0 DEADHO CC[NH+](CC)CC1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000261621408 276323464 /nfs/dbraw/zinc/32/34/64/276323464.db2.gz AYHNGWFNZXTTAL-SFHVURJKSA-N 1 3 317.477 2.137 20 0 DEADHO CCN(CCNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)C1CC1 ZINC000101982188 276346939 /nfs/dbraw/zinc/34/69/39/276346939.db2.gz MYACFACQXAQPCZ-INIZCTEOSA-N 1 3 324.513 2.425 20 0 DEADHO CCN(CCNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000101982188 276346940 /nfs/dbraw/zinc/34/69/40/276346940.db2.gz MYACFACQXAQPCZ-INIZCTEOSA-N 1 3 324.513 2.425 20 0 DEADHO CCN1CCN(c2ccccc2C[NH+]2CCC(C)(O)CC2)CC1 ZINC000353669762 276388534 /nfs/dbraw/zinc/38/85/34/276388534.db2.gz DZKWWSSGRYRKSB-UHFFFAOYSA-N 1 3 317.477 2.175 20 0 DEADHO CNC(=O)[C@@H]1CCC[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000358252214 277243761 /nfs/dbraw/zinc/24/37/61/277243761.db2.gz SILKPFJTVPNLIK-IAGOWNOFSA-N 1 3 307.482 2.288 20 0 DEADHO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000358252214 277243762 /nfs/dbraw/zinc/24/37/62/277243762.db2.gz SILKPFJTVPNLIK-IAGOWNOFSA-N 1 3 307.482 2.288 20 0 DEADHO C[NH2+]CCCNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000417693099 277268065 /nfs/dbraw/zinc/26/80/65/277268065.db2.gz PWAUCVXHKPXQBU-HNNXBMFYSA-N 1 3 318.465 2.121 20 0 DEADHO CO[C@H](C[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)C1CC1 ZINC000425395343 277328920 /nfs/dbraw/zinc/32/89/20/277328920.db2.gz NEVWZDRLOCHQIB-IIDMSEBBSA-N 1 3 310.482 2.233 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CCN(C(C)C)C2)CC1 ZINC000457589913 277383775 /nfs/dbraw/zinc/38/37/75/277383775.db2.gz YLGVJPAKCZSECI-KRWDZBQOSA-N 1 3 324.513 2.231 20 0 DEADHO C[C@@H]1C[C@H](CN2CCN(C(=O)NC3CCCCC3)CC2)CC[NH2+]1 ZINC000414738507 278011587 /nfs/dbraw/zinc/01/15/87/278011587.db2.gz PCQNTIDMKYGCPK-HZPDHXFCSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCN1C ZINC000361510815 278023385 /nfs/dbraw/zinc/02/33/85/278023385.db2.gz LPUWBOOQYKRMSH-OWCLPIDISA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCN1C ZINC000361510815 278023386 /nfs/dbraw/zinc/02/33/86/278023386.db2.gz LPUWBOOQYKRMSH-OWCLPIDISA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H](C(=O)N1CCN(C2CC2)C[C@H](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000452168578 278141128 /nfs/dbraw/zinc/14/11/28/278141128.db2.gz FPOQKAVGRJLWFM-CAOSSQGBSA-N 1 3 307.482 2.190 20 0 DEADHO C[C@H](C(=O)N1CCN(C2CC2)C[C@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000452168578 278141130 /nfs/dbraw/zinc/14/11/30/278141130.db2.gz FPOQKAVGRJLWFM-CAOSSQGBSA-N 1 3 307.482 2.190 20 0 DEADHO C[C@H](C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[C@@H](N)c1ccccc1 ZINC000246515737 278142956 /nfs/dbraw/zinc/14/29/56/278142956.db2.gz QWPNELQOBUMUBE-XYJFISCASA-N 1 3 315.461 2.267 20 0 DEADHO CC(CN1CCC[C@@](C)(O)CC1)C[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000348392200 278156093 /nfs/dbraw/zinc/15/60/93/278156093.db2.gz APRBAHVYBNNIKT-QZTJIDSGSA-N 1 3 312.498 2.096 20 0 DEADHO CC(CN1CCC[C@@](C)(O)CC1)C[N@H+]1CCC[C@@](C)(O)CC1 ZINC000348392200 278156094 /nfs/dbraw/zinc/15/60/94/278156094.db2.gz APRBAHVYBNNIKT-QZTJIDSGSA-N 1 3 312.498 2.096 20 0 DEADHO C[C@H](CC(=O)N1CCCCCC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000370676328 278162370 /nfs/dbraw/zinc/16/23/70/278162370.db2.gz JMXIWAWQDKVAIA-ZACQAIPSSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@H](CC(=O)N1CCCCCC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000370676328 278162371 /nfs/dbraw/zinc/16/23/71/278162371.db2.gz JMXIWAWQDKVAIA-ZACQAIPSSA-N 1 3 307.482 2.384 20 0 DEADHO CC1(C)CCCN(CCNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000445267830 278214668 /nfs/dbraw/zinc/21/46/68/278214668.db2.gz RZYNONCMGPMFBW-HZPDHXFCSA-N 1 3 322.497 2.034 20 0 DEADHO CC1(C)CCCN(CCNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000445267830 278214669 /nfs/dbraw/zinc/21/46/69/278214669.db2.gz RZYNONCMGPMFBW-HZPDHXFCSA-N 1 3 322.497 2.034 20 0 DEADHO CC(C)(C)CC(=O)N1CCC([NH2+]C[C@@]2(C)CCCNC2)CC1 ZINC000414903940 278303770 /nfs/dbraw/zinc/30/37/70/278303770.db2.gz JAJHRMPQRMDHBR-SFHVURJKSA-N 1 3 309.498 2.393 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])N(C)C)cc1 ZINC000424454533 278843825 /nfs/dbraw/zinc/84/38/25/278843825.db2.gz OUZVKYCDSHWAKM-BRWVUGGUSA-N 1 3 318.465 2.167 20 0 DEADHO CCN(C(=O)N[C@H](C)CC[NH3+])[C@H]1CCN(Cc2ccccc2)C1 ZINC000418546296 279003667 /nfs/dbraw/zinc/00/36/67/279003667.db2.gz JJVWQONFSXYAKG-WBVHZDCISA-N 1 3 318.465 2.030 20 0 DEADHO CC[NH+](CC)CCCNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000431783157 279098084 /nfs/dbraw/zinc/09/80/84/279098084.db2.gz IASJZVSJJXIJTJ-MRXNPFEDSA-N 1 3 310.486 2.034 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+](CC)[C@@H]2CCOC2)CC1 ZINC000361236946 279240581 /nfs/dbraw/zinc/24/05/81/279240581.db2.gz HEULBHWNBWMTQJ-GOSISDBHSA-N 1 3 317.477 2.439 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC000361236946 279240583 /nfs/dbraw/zinc/24/05/83/279240583.db2.gz HEULBHWNBWMTQJ-GOSISDBHSA-N 1 3 317.477 2.439 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@H](C)C1 ZINC000444148975 279302539 /nfs/dbraw/zinc/30/25/39/279302539.db2.gz ZBVOIGAVHVBLSB-GVDBMIGSSA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@H](C)C1 ZINC000444148975 279302541 /nfs/dbraw/zinc/30/25/41/279302541.db2.gz ZBVOIGAVHVBLSB-GVDBMIGSSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCCCCC[NH+]1CCCC1 ZINC000454679066 288129679 /nfs/dbraw/zinc/12/96/79/288129679.db2.gz URZSASHATDWNBQ-NVXWUHKLSA-N 1 3 322.497 2.034 20 0 DEADHO CCO[C@@H]1C[C@H](N[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C12CCC2 ZINC000422783659 279877214 /nfs/dbraw/zinc/87/72/14/279877214.db2.gz OPRVXVFQMPIHFL-OVYGPGRDSA-N 1 3 308.466 2.081 20 0 DEADHO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CC[C@@H]2CCCN2C)C[C@@H](C)O1 ZINC000125013838 288191746 /nfs/dbraw/zinc/19/17/46/288191746.db2.gz ZOGSDALCLXPRQQ-BDXSIMOUSA-N 1 3 309.498 2.044 20 0 DEADHO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2CC[C@@H]2CCCN2C)C[C@@H](C)O1 ZINC000125013838 288191747 /nfs/dbraw/zinc/19/17/47/288191747.db2.gz ZOGSDALCLXPRQQ-BDXSIMOUSA-N 1 3 309.498 2.044 20 0 DEADHO C[C@@H]1CN(C[C@@H]2CCCN2CC[C@@H]2CCC[N@@H+]2C)C[C@@H](C)O1 ZINC000125013838 288191751 /nfs/dbraw/zinc/19/17/51/288191751.db2.gz ZOGSDALCLXPRQQ-BDXSIMOUSA-N 1 3 309.498 2.044 20 0 DEADHO C[C@@H]1CN(C[C@@H]2CCCN2CC[C@@H]2CCC[N@H+]2C)C[C@@H](C)O1 ZINC000125013838 288191753 /nfs/dbraw/zinc/19/17/53/288191753.db2.gz ZOGSDALCLXPRQQ-BDXSIMOUSA-N 1 3 309.498 2.044 20 0 DEADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000342766508 280045946 /nfs/dbraw/zinc/04/59/46/280045946.db2.gz VPEUKCKEHAUNAC-NVXWUHKLSA-N 1 3 307.482 2.099 20 0 DEADHO O=C([C@H]1CC12CC[NH2+]CC2)N1CCN(CC2CCCCC2)CC1 ZINC000237992876 280126003 /nfs/dbraw/zinc/12/60/03/280126003.db2.gz ULBSDOPERGJUAL-QGZVFWFLSA-N 1 3 319.493 2.101 20 0 DEADHO CC[C@@H](CNC(=O)[C@@H](C[NH3+])C(C)C)N1CCc2ccccc2C1 ZINC000433157542 280143496 /nfs/dbraw/zinc/14/34/96/280143496.db2.gz GMVUYDVQILAJKL-ROUUACIJSA-N 1 3 317.477 2.170 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C)CN1CCCCC1 ZINC000355479850 281057410 /nfs/dbraw/zinc/05/74/10/281057410.db2.gz KDSXWNNKAFRSHB-IRXDYDNUSA-N 1 3 324.513 2.425 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](C)CN1CCCCC1 ZINC000355479850 281057411 /nfs/dbraw/zinc/05/74/11/281057411.db2.gz KDSXWNNKAFRSHB-IRXDYDNUSA-N 1 3 324.513 2.425 20 0 DEADHO C[C@@]1(C[NH3+])CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000262105200 289162002 /nfs/dbraw/zinc/16/20/02/289162002.db2.gz VGYVMCUIPKFHFV-SFHVURJKSA-N 1 3 301.434 2.093 20 0 DEADHO CN(C)[C@H]1CCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455910811 289383538 /nfs/dbraw/zinc/38/35/38/289383538.db2.gz IRIFCJNRSOSULL-RDJZCZTQSA-N 1 3 316.449 2.403 20 0 DEADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2CCN(C)CC2)C1 ZINC000369926235 290390853 /nfs/dbraw/zinc/39/08/53/290390853.db2.gz JEYWGLMHUQPINT-DLBZAZTESA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C2CCN(C)CC2)C1 ZINC000369926235 290390855 /nfs/dbraw/zinc/39/08/55/290390855.db2.gz JEYWGLMHUQPINT-DLBZAZTESA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CN(C[C@@H]2CCCN2CCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000125014552 297018297 /nfs/dbraw/zinc/01/82/97/297018297.db2.gz FZCPDKZXFNWMDC-OTWHNJEPSA-N 1 3 323.525 2.436 20 0 DEADHO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CCCN2CCCCC2)C[C@H](C)O1 ZINC000125014552 297018298 /nfs/dbraw/zinc/01/82/98/297018298.db2.gz FZCPDKZXFNWMDC-OTWHNJEPSA-N 1 3 323.525 2.436 20 0 DEADHO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2CCCN2CCCCC2)C[C@H](C)O1 ZINC000125014552 297018299 /nfs/dbraw/zinc/01/82/99/297018299.db2.gz FZCPDKZXFNWMDC-OTWHNJEPSA-N 1 3 323.525 2.436 20 0 DEADHO COc1ccc(CCN[C@@H](C)C[C@H]2CCC[NH2+]2)c(OC)c1OC ZINC000415087003 295121203 /nfs/dbraw/zinc/12/12/03/295121203.db2.gz SOKRTFQWVURSJS-DZGCQCFKSA-N 1 3 322.449 2.375 20 0 DEADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H]2CCOC[C@H]2C)cc1 ZINC000423339302 295225040 /nfs/dbraw/zinc/22/50/40/295225040.db2.gz SGDBWTINLGVENW-QCSYZSNVSA-N 1 3 304.434 2.155 20 0 DEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000423058356 295248704 /nfs/dbraw/zinc/24/87/04/295248704.db2.gz BWPNOULBFOQYJD-KBPBESRZSA-N 1 3 307.404 2.368 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CCN1C ZINC000341210931 297273015 /nfs/dbraw/zinc/27/30/15/297273015.db2.gz WMCVOHCBMBYWJL-IXDOHACOSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H](C(=O)N1CCC2(CCC[N@@H+]2C)CC1)N1CCCCCC1 ZINC000375200606 298010243 /nfs/dbraw/zinc/01/02/43/298010243.db2.gz IFDIPEFWUHEJKA-MRXNPFEDSA-N 1 3 307.482 2.338 20 0 DEADHO C[C@H](C(=O)N1CCC2(CCC[N@H+]2C)CC1)N1CCCCCC1 ZINC000375200606 298010246 /nfs/dbraw/zinc/01/02/46/298010246.db2.gz IFDIPEFWUHEJKA-MRXNPFEDSA-N 1 3 307.482 2.338 20 0 DEADHO C[C@H](CC(=O)NC[C@@H](C)N1CCCC[C@H]1C)C1CC[NH2+]CC1 ZINC000430746124 298302181 /nfs/dbraw/zinc/30/21/81/298302181.db2.gz BGNXTRVBBWEVLN-BZUAXINKSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H](CC(=O)N[C@H](CN(C)C)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000237399338 298307620 /nfs/dbraw/zinc/30/76/20/298307620.db2.gz CSQPZRAHKMBPNE-KBAYOESNSA-N 1 3 317.477 2.431 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N(CCN(C)C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC000262448309 300396459 /nfs/dbraw/zinc/39/64/59/300396459.db2.gz YZSZXXSLQKVWTC-HOCLYGCPSA-N 1 3 321.440 2.104 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@H](C)[C@@H](C)[NH3+])N2CCCC2)cc1 ZINC000192103965 301716576 /nfs/dbraw/zinc/71/65/76/301716576.db2.gz YZCUMNTVKSWCJU-BFYDXBDKSA-N 1 3 303.450 2.231 20 0 DEADHO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H]2CCCN(C(=O)CN)C2)c1 ZINC000414672802 302036387 /nfs/dbraw/zinc/03/63/87/302036387.db2.gz HYVFLNPQUIKUJH-SJLPKXTDSA-N 1 3 315.461 2.329 20 0 DEADHO Cc1cccc([C@H]2CCC[N@H+]2C[C@H]2CCCN(C(=O)CN)C2)c1 ZINC000414672802 302036390 /nfs/dbraw/zinc/03/63/90/302036390.db2.gz HYVFLNPQUIKUJH-SJLPKXTDSA-N 1 3 315.461 2.329 20 0 DEADHO NCC(=O)N1CCC[C@H](C[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000414688348 303365966 /nfs/dbraw/zinc/36/59/66/303365966.db2.gz DCRYOMXHIWVYQT-MRXNPFEDSA-N 1 3 307.482 2.230 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)[C@H](C)C1 ZINC001424557555 1173831055 /nfs/dbraw/zinc/83/10/55/1173831055.db2.gz HFLFJZPFEJGCMZ-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)[C@H](C)C1 ZINC001424557555 1173831061 /nfs/dbraw/zinc/83/10/61/1173831061.db2.gz HFLFJZPFEJGCMZ-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO COC1([C@@H](C)[NH2+]CCCCN2CCN(C)CC2)CCCCC1 ZINC000567629065 325832895 /nfs/dbraw/zinc/83/28/95/325832895.db2.gz OUQPELOHIVOSLY-QGZVFWFLSA-N 1 3 311.514 2.341 20 0 DEADHO [NH3+][C@@H](CCC(=O)NC[C@H]1NCCc2ccccc21)c1ccccc1 ZINC000567871724 325873320 /nfs/dbraw/zinc/87/33/20/325873320.db2.gz JTKZHYRQTZUAOT-RBUKOAKNSA-N 1 3 323.440 2.470 20 0 DEADHO [NH3+][C@H]1CCC[C@H](NCCOc2ccc(C(F)(F)F)cn2)C1 ZINC000573020896 326012892 /nfs/dbraw/zinc/01/28/92/326012892.db2.gz YYNNSRRWYXGROE-RYUDHWBXSA-N 1 3 303.328 2.339 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CC[NH2+][C@@H]1C)c1ccsc1 ZINC000573601465 326073805 /nfs/dbraw/zinc/07/38/05/326073805.db2.gz IUFGXLTVJJTOPH-BPLDGKMQSA-N 1 3 309.479 2.245 20 0 DEADHO CN1CCC[C@]2(CCN(C(=O)Nc3ccc(C[NH3+])cc3)C2)C1 ZINC000574424933 326154164 /nfs/dbraw/zinc/15/41/64/326154164.db2.gz LVOAYWSHMDAWBP-KRWDZBQOSA-N 1 3 302.422 2.095 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N(C)CCC[NH3+])c1ccccc1 ZINC000574622657 326172011 /nfs/dbraw/zinc/17/20/11/326172011.db2.gz VQGVOGVOONXMEH-MRXNPFEDSA-N 1 3 306.454 2.060 20 0 DEADHO O[C@@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)Cc1cccc(Cl)c1 ZINC000575981556 326260312 /nfs/dbraw/zinc/26/03/12/326260312.db2.gz RJSPREDHXZKTOO-RHSMWYFYSA-N 1 3 308.853 2.317 20 0 DEADHO O[C@@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)Cc1cccc(Cl)c1 ZINC000575981556 326260314 /nfs/dbraw/zinc/26/03/14/326260314.db2.gz RJSPREDHXZKTOO-RHSMWYFYSA-N 1 3 308.853 2.317 20 0 DEADHO O[C@@H](CNC[C@H]1CC[N@H+](C2CC2)C1)Cc1cccc(Cl)c1 ZINC000575981556 326260315 /nfs/dbraw/zinc/26/03/15/326260315.db2.gz RJSPREDHXZKTOO-RHSMWYFYSA-N 1 3 308.853 2.317 20 0 DEADHO Fc1ccc([C@H](NCC[C@@H]2CCC[NH2+]C2)c2c[nH]nn2)cc1 ZINC000576626437 326307197 /nfs/dbraw/zinc/30/71/97/326307197.db2.gz FOYQSFYPXAXMOQ-LRDDRELGSA-N 1 3 303.385 2.013 20 0 DEADHO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)[C@@H]1CCCCCN1 ZINC000582231059 336285179 /nfs/dbraw/zinc/28/51/79/336285179.db2.gz FEQJBKQYBAIXQQ-LBPRGKRZSA-N 1 3 308.451 2.081 20 0 DEADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)COc2cccc(C)c2)C1 ZINC000582959509 337218659 /nfs/dbraw/zinc/21/86/59/337218659.db2.gz CSLDHFGZAWZUFR-IAGOWNOFSA-N 1 3 306.450 2.056 20 0 DEADHO CC[NH+]1CCC(NC[C@@H](O)COc2ccccc2Cl)CC1 ZINC000395723498 337227202 /nfs/dbraw/zinc/22/72/02/337227202.db2.gz LXGZHIROEKZNON-CQSZACIVSA-N 1 3 312.841 2.154 20 0 DEADHO CCC[NH+]1CCN(c2ccccc2CN[C@@H]2C[C@H]2OCC)CC1 ZINC000583122752 337244149 /nfs/dbraw/zinc/24/41/49/337244149.db2.gz VASUTWZDAQVWAI-IEBWSBKVSA-N 1 3 317.477 2.486 20 0 DEADHO Cc1ncc2c(n1)CC[C@H](N[C@@H](Cc1ccccc1)[C@@H](C)[NH3+])C2 ZINC000583198201 337267799 /nfs/dbraw/zinc/26/77/99/337267799.db2.gz RNQAVGVROYOUDH-FMEYXAORSA-N 1 3 310.445 2.190 20 0 DEADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N(C)CCC[NH3+] ZINC000584459294 337343993 /nfs/dbraw/zinc/34/39/93/337343993.db2.gz VUJBCZWSCOBIOX-QGZVFWFLSA-N 1 3 320.481 2.133 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000584523780 337355212 /nfs/dbraw/zinc/35/52/12/337355212.db2.gz QPBDBCBGHGUGDE-IMJJTQAJSA-N 1 3 302.422 2.010 20 0 DEADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000584523780 337355213 /nfs/dbraw/zinc/35/52/13/337355213.db2.gz QPBDBCBGHGUGDE-IMJJTQAJSA-N 1 3 302.422 2.010 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H]1CCC[N@H+](CCCF)C1 ZINC001376613691 1159603775 /nfs/dbraw/zinc/60/37/75/1159603775.db2.gz AAQMLVNWGOTCNF-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H]1CCC[N@@H+](CCCF)C1 ZINC001376613691 1159603786 /nfs/dbraw/zinc/60/37/86/1159603786.db2.gz AAQMLVNWGOTCNF-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1cccc(F)c1 ZINC001378307322 1152286275 /nfs/dbraw/zinc/28/62/75/1152286275.db2.gz YEFLFQCFNJZAAF-PBHICJAKSA-N 1 3 321.440 2.152 20 0 DEADHO C[NH+](C)CCC(=O)N[C@H]1CCN(C/C=C/Cl)CC(C)(C)C1 ZINC001397275136 1160101658 /nfs/dbraw/zinc/10/16/58/1160101658.db2.gz VFKOEOVXCWVFOV-GPAKFWEMSA-N 1 3 315.889 2.297 20 0 DEADHO C[NH2+]CCCCC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC001357350251 1152291919 /nfs/dbraw/zinc/29/19/19/1152291919.db2.gz DDTYXRBSLKWYNK-UHFFFAOYSA-N 1 3 317.477 2.329 20 0 DEADHO CC[C@H](C(=O)N[C@](C)(C[NH2+]Cc1ccsc1)C1CC1)N(C)C ZINC001378437214 1152328398 /nfs/dbraw/zinc/32/83/98/1152328398.db2.gz VUAXOCGUNNIXTA-NVXWUHKLSA-N 1 3 323.506 2.463 20 0 DEADHO CC[C@H](C(=O)N1CCC(C[N@H+](C)C[C@@H](F)CC)CC1)N(C)C ZINC001377778911 1160819478 /nfs/dbraw/zinc/81/94/78/1160819478.db2.gz CBYAWGQENBEWOS-JKSUJKDBSA-N 1 3 315.477 2.245 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CN(C)C(C)C)cc1 ZINC001378519552 1152359262 /nfs/dbraw/zinc/35/92/62/1152359262.db2.gz RZFBSMSAXKCTBA-GOSISDBHSA-N 1 3 317.477 2.416 20 0 DEADHO CCCN(C)CC(=O)N1CCC(C[N@@H+](C)CC[C@H](C)F)CC1 ZINC001377787553 1160824730 /nfs/dbraw/zinc/82/47/30/1160824730.db2.gz GNGFPCFSKPWFBX-HNNXBMFYSA-N 1 3 315.477 2.247 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001398220576 1160825219 /nfs/dbraw/zinc/82/52/19/1160825219.db2.gz DMVBBGKPNDNOLG-JKSUJKDBSA-N 1 3 313.461 2.047 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001398220576 1160825223 /nfs/dbraw/zinc/82/52/23/1160825223.db2.gz DMVBBGKPNDNOLG-JKSUJKDBSA-N 1 3 313.461 2.047 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@H](C)C1CN(Cc2ccccc2)C1 ZINC001378592729 1152387159 /nfs/dbraw/zinc/38/71/59/1152387159.db2.gz YMKHFBGBZXUDJU-MRXNPFEDSA-N 1 3 317.477 2.355 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)C1CN(Cc2ccccc2)C1 ZINC001378592729 1152387161 /nfs/dbraw/zinc/38/71/61/1152387161.db2.gz YMKHFBGBZXUDJU-MRXNPFEDSA-N 1 3 317.477 2.355 20 0 DEADHO C[C@@H](C[NH3+])N(C)C(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000418251943 533779979 /nfs/dbraw/zinc/77/99/79/533779979.db2.gz XJRXPFJVFVOBMN-HNNXBMFYSA-N 1 3 318.465 2.030 20 0 DEADHO COc1cccc([C@H](CN[C@@H](C)C2C[NH2+]C2)N2CCCC2)c1 ZINC000422751046 533780795 /nfs/dbraw/zinc/78/07/95/533780795.db2.gz BWAZGRHLQOPDNZ-KSSFIOAISA-N 1 3 303.450 2.030 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)N1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000417713862 533783108 /nfs/dbraw/zinc/78/31/08/533783108.db2.gz YSONCDVXUXUWAB-GJZGRUSLSA-N 1 3 318.465 2.106 20 0 DEADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC[C@H](C)C[NH3+] ZINC000414871098 533874630 /nfs/dbraw/zinc/87/46/30/533874630.db2.gz CXDACZCQCHVFGC-MNOVXSKESA-N 1 3 313.829 2.250 20 0 DEADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H](C)CN ZINC000414871098 533874634 /nfs/dbraw/zinc/87/46/34/533874634.db2.gz CXDACZCQCHVFGC-MNOVXSKESA-N 1 3 313.829 2.250 20 0 DEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000422960514 534066296 /nfs/dbraw/zinc/06/62/96/534066296.db2.gz WPJSEQDCAGBDQQ-QAPCUYQASA-N 1 3 315.461 2.287 20 0 DEADHO COc1ccc(NC(=O)CCN2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1 ZINC000422635617 534068963 /nfs/dbraw/zinc/06/89/63/534068963.db2.gz LTFWIITYANLUGX-KKUMJFAQSA-N 1 3 319.449 2.329 20 0 DEADHO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](CN)[C@@H](C)C[C@@H]2C)cc1 ZINC000422635617 534068969 /nfs/dbraw/zinc/06/89/69/534068969.db2.gz LTFWIITYANLUGX-KKUMJFAQSA-N 1 3 319.449 2.329 20 0 DEADHO COc1ccc(NC(=O)CC[N@H+]2C[C@H](CN)[C@@H](C)C[C@@H]2C)cc1 ZINC000422635617 534068977 /nfs/dbraw/zinc/06/89/77/534068977.db2.gz LTFWIITYANLUGX-KKUMJFAQSA-N 1 3 319.449 2.329 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCNC(=O)c1ccccc1Cl ZINC000422958366 534072188 /nfs/dbraw/zinc/07/21/88/534072188.db2.gz XKWWBUHYAZTKOD-IUODEOHRSA-N 1 3 309.841 2.048 20 0 DEADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@H](c1ccco1)N(C)C ZINC000422960949 534180033 /nfs/dbraw/zinc/18/00/33/534180033.db2.gz AFTBBTBZMRPXTM-USXIJHARSA-N 1 3 301.434 2.430 20 0 DEADHO NC(=O)C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000297472760 534352687 /nfs/dbraw/zinc/35/26/87/534352687.db2.gz RHWNIQSSWURYDB-SFHVURJKSA-N 1 3 324.428 2.257 20 0 DEADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000338458738 519861798 /nfs/dbraw/zinc/86/17/98/519861798.db2.gz RCUDCXAXGKBRNX-IRXDYDNUSA-N 1 3 324.513 2.138 20 0 DEADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000338458738 519861800 /nfs/dbraw/zinc/86/18/00/519861800.db2.gz RCUDCXAXGKBRNX-IRXDYDNUSA-N 1 3 324.513 2.138 20 0 DEADHO CCC[NH2+]CCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000154558797 519915614 /nfs/dbraw/zinc/91/56/14/519915614.db2.gz IRJBENAOLOBBDB-MRXNPFEDSA-N 1 3 321.440 2.154 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)N(C)CCN2CCCC2)CC1 ZINC000112743438 521000135 /nfs/dbraw/zinc/00/01/35/521000135.db2.gz UXGZNRCBWPPKCI-UHFFFAOYSA-N 1 3 324.513 2.236 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cnn(C(C)C)c2)CC1 ZINC000154317702 521682053 /nfs/dbraw/zinc/68/20/53/521682053.db2.gz SJHQCGVOJPKSFR-INIZCTEOSA-N 1 3 307.486 2.142 20 0 DEADHO CCN1CC[C@@H]([N@H+](C)CCCN2CCN(C(C)C)CC2)C[C@@H]1C ZINC000337260337 521713528 /nfs/dbraw/zinc/71/35/28/521713528.db2.gz WWBBWWUMVBEACF-RBUKOAKNSA-N 1 3 324.557 2.207 20 0 DEADHO CCN1CC[C@@H]([N@@H+](C)CCCN2CCN(C(C)C)CC2)C[C@@H]1C ZINC000337260337 521713529 /nfs/dbraw/zinc/71/35/29/521713529.db2.gz WWBBWWUMVBEACF-RBUKOAKNSA-N 1 3 324.557 2.207 20 0 DEADHO CN(CCN1CCCC1)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000103246798 522074541 /nfs/dbraw/zinc/07/45/41/522074541.db2.gz IZUOOOSDEQUYRZ-QGZVFWFLSA-N 1 3 324.513 2.234 20 0 DEADHO COC[C@H](C)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000163936726 522622735 /nfs/dbraw/zinc/62/27/35/522622735.db2.gz DISZGNKKIDTHMZ-SFHVURJKSA-N 1 3 319.493 2.209 20 0 DEADHO CN(CCN1CCCC1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000112739520 522826833 /nfs/dbraw/zinc/82/68/33/522826833.db2.gz NHXMKYXHQAOPRR-UHFFFAOYSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H](CCc1c(F)cccc1F)NC[C@@H](O)C[NH+]1CCCC1 ZINC000337984797 524231168 /nfs/dbraw/zinc/23/11/68/524231168.db2.gz AZFVIXRNWMQLSA-ZIAGYGMSSA-N 1 3 312.404 2.332 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106530760 524331249 /nfs/dbraw/zinc/33/12/49/524331249.db2.gz IJQRQGPJENXDDJ-CVEARBPZSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106530760 524331254 /nfs/dbraw/zinc/33/12/54/524331254.db2.gz IJQRQGPJENXDDJ-CVEARBPZSA-N 1 3 322.497 2.177 20 0 DEADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)C1(N)Cc2ccccc2C1 ZINC000366335580 524385148 /nfs/dbraw/zinc/38/51/48/524385148.db2.gz UYOSMINXKKYOFD-UHFFFAOYSA-N 1 3 323.440 2.491 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCCC[C@H]1C ZINC000337353098 524427340 /nfs/dbraw/zinc/42/73/40/524427340.db2.gz ANEKUKCQWGLBJY-VQHPVUNQSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CCCC[C@H]1C ZINC000337353098 524427348 /nfs/dbraw/zinc/42/73/48/524427348.db2.gz ANEKUKCQWGLBJY-VQHPVUNQSA-N 1 3 322.497 2.175 20 0 DEADHO Cc1ccc(C[NH2+]CCOCCN(C)C)c(-c2ccnn2C)c1 ZINC000338445351 524578970 /nfs/dbraw/zinc/57/89/70/524578970.db2.gz OFXTYHOELZYLRD-UHFFFAOYSA-N 1 3 316.449 2.063 20 0 DEADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCCN1CCCCC1 ZINC000338260412 524633281 /nfs/dbraw/zinc/63/32/81/524633281.db2.gz JJRBFCZBJMXEOL-ZACQAIPSSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000248994900 524851322 /nfs/dbraw/zinc/85/13/22/524851322.db2.gz HQUAZIAIMHGEJL-JKQORVJESA-N 1 3 303.450 2.139 20 0 DEADHO Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000162819920 525308235 /nfs/dbraw/zinc/30/82/35/525308235.db2.gz WIPAPYDMWLHDDH-FGTMMUONSA-N 1 3 318.461 2.151 20 0 DEADHO Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000162819920 525308239 /nfs/dbraw/zinc/30/82/39/525308239.db2.gz WIPAPYDMWLHDDH-FGTMMUONSA-N 1 3 318.461 2.151 20 0 DEADHO C[C@H](NC[C@H](O)C[NH+](C)C)[C@H](C)c1nc2ccccc2s1 ZINC000154312427 525407324 /nfs/dbraw/zinc/40/73/24/525407324.db2.gz XDJJJBKJJCTRMA-AVGNSLFASA-N 1 3 307.463 2.300 20 0 DEADHO CC(C)(C(=O)NCC[C@@H]1CCC[NH2+]C1)[C@H](N)c1ccccc1 ZINC000417787452 527520161 /nfs/dbraw/zinc/52/01/61/527520161.db2.gz DTEYUNKOYAPJEU-GOEBONIOSA-N 1 3 303.450 2.219 20 0 DEADHO CCCN(C(=O)NC[C@@H](C)N1CCC(C)CC1)C1CC[NH2+]CC1 ZINC000417317559 527754394 /nfs/dbraw/zinc/75/43/94/527754394.db2.gz WXGAXUVHDGBJOJ-MRXNPFEDSA-N 1 3 324.513 2.280 20 0 DEADHO CCO[C@@H]1COCC[C@@H]1N[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423034577 527773108 /nfs/dbraw/zinc/77/31/08/527773108.db2.gz IGTVLQUNAANKCY-WNRNVDISSA-N 1 3 304.434 2.263 20 0 DEADHO CC(C)[C@H]1CCCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000444773715 527776829 /nfs/dbraw/zinc/77/68/29/527776829.db2.gz SGHXEMBSUUERIC-INIZCTEOSA-N 1 3 309.498 2.343 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](N)c2ccccc2)C[C@@H]1C ZINC000448228253 527820889 /nfs/dbraw/zinc/82/08/89/527820889.db2.gz DMUGACXNFOVWFD-BHYGNILZSA-N 1 3 303.450 2.408 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H](N)c2ccccc2)C[C@@H]1C ZINC000448228253 527820892 /nfs/dbraw/zinc/82/08/92/527820892.db2.gz DMUGACXNFOVWFD-BHYGNILZSA-N 1 3 303.450 2.408 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NCc1ccc2c(c1)CNC2 ZINC000418195608 527995807 /nfs/dbraw/zinc/99/58/07/527995807.db2.gz CFMSBCJBYOAOEF-AWEZNQCLSA-N 1 3 318.465 2.209 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NCc1ccc2c(c1)CNC2 ZINC000418195608 527995810 /nfs/dbraw/zinc/99/58/10/527995810.db2.gz CFMSBCJBYOAOEF-AWEZNQCLSA-N 1 3 318.465 2.209 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)NCC1=CC[NH2+]CC1 ZINC000418537243 528083470 /nfs/dbraw/zinc/08/34/70/528083470.db2.gz IKWWLFCNZGUWML-UHFFFAOYSA-N 1 3 322.497 2.204 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000448286199 528229495 /nfs/dbraw/zinc/22/94/95/528229495.db2.gz VBMBRMUHVJAZEE-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000448286199 528229500 /nfs/dbraw/zinc/22/95/00/528229500.db2.gz VBMBRMUHVJAZEE-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418242891 528314096 /nfs/dbraw/zinc/31/40/96/528314096.db2.gz VLHZUJRKDMKKTG-BBWFWOEESA-N 1 3 324.513 2.314 20 0 DEADHO CC(C)[C@@H](N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000292604663 528499321 /nfs/dbraw/zinc/49/93/21/528499321.db2.gz WYCQLXRJLAGCAE-QGZVFWFLSA-N 1 3 318.465 2.139 20 0 DEADHO CC(C)C[C@H](C[NH3+])NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000418188385 528514357 /nfs/dbraw/zinc/51/43/57/528514357.db2.gz UGAJQMBVYMVZCC-DJIMGWMZSA-N 1 3 320.481 2.350 20 0 DEADHO CCN(CCN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])c1cccc(C)c1 ZINC000422768943 528516559 /nfs/dbraw/zinc/51/65/59/528516559.db2.gz OHLULBIFIBDUNN-BPQIPLTHSA-N 1 3 305.466 2.163 20 0 DEADHO CCN(CCN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+])c1cccc(C)c1 ZINC000422768964 528516573 /nfs/dbraw/zinc/51/65/73/528516573.db2.gz OHLULBIFIBDUNN-RYQLBKOJSA-N 1 3 305.466 2.163 20 0 DEADHO CCC[NH2+][C@@H](C)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000295622708 528534228 /nfs/dbraw/zinc/53/42/28/528534228.db2.gz HAIRBXKZQLIEFA-AWEZNQCLSA-N 1 3 309.429 2.104 20 0 DEADHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000417577368 528807842 /nfs/dbraw/zinc/80/78/42/528807842.db2.gz JGAJJACGQIYSNN-WBVHZDCISA-N 1 3 320.481 2.324 20 0 DEADHO CC(C)N(C)c1ccccc1CN[C@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000423059119 528853492 /nfs/dbraw/zinc/85/34/92/528853492.db2.gz LELRPXSSKRWAEH-XIRDDKMYSA-N 1 3 305.466 2.373 20 0 DEADHO CCCC[C@H](C[NH3+])NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000418189816 528944825 /nfs/dbraw/zinc/94/48/25/528944825.db2.gz VTKBDIIAEKUBEE-USXIJHARSA-N 1 3 320.481 2.495 20 0 DEADHO CC[NH+]1CCC(NC[C@@](C)(C(=O)OC)c2ccc(F)cc2)CC1 ZINC000447059930 528986333 /nfs/dbraw/zinc/98/63/33/528986333.db2.gz MXVDQFZLYBGLGC-GOSISDBHSA-N 1 3 322.424 2.330 20 0 DEADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H](C)CC[NH3+] ZINC000418035353 528989603 /nfs/dbraw/zinc/98/96/03/528989603.db2.gz PDHPWLHJHRLYRR-WBVHZDCISA-N 1 3 320.481 2.180 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](N)c2ccccc2)C1 ZINC000417538629 529022334 /nfs/dbraw/zinc/02/23/34/529022334.db2.gz DHGOSBYFDTWCHR-WBVHZDCISA-N 1 3 318.465 2.106 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@H](N)c2ccccc2)C1 ZINC000417538629 529022339 /nfs/dbraw/zinc/02/23/39/529022339.db2.gz DHGOSBYFDTWCHR-WBVHZDCISA-N 1 3 318.465 2.106 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000417538627 529023360 /nfs/dbraw/zinc/02/33/60/529023360.db2.gz DHGOSBYFDTWCHR-NVXWUHKLSA-N 1 3 318.465 2.106 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000417538627 529023362 /nfs/dbraw/zinc/02/33/62/529023362.db2.gz DHGOSBYFDTWCHR-NVXWUHKLSA-N 1 3 318.465 2.106 20 0 DEADHO CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000429180923 529066831 /nfs/dbraw/zinc/06/68/31/529066831.db2.gz JRHBARQRSIAYTF-NVXWUHKLSA-N 1 3 321.440 2.137 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000417706891 529272772 /nfs/dbraw/zinc/27/27/72/529272772.db2.gz UMOWFDOVFURUCA-OWCLPIDISA-N 1 3 310.486 2.068 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000331865661 529272832 /nfs/dbraw/zinc/27/28/32/529272832.db2.gz BXVVMEBBAGYXBA-YLFCFFPRSA-N 1 3 322.497 2.020 20 0 DEADHO CC[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])Oc1cccc(F)c1 ZINC000422847720 529369736 /nfs/dbraw/zinc/36/97/36/529369736.db2.gz IVMNKUNUSGCYSS-ODVANORSSA-N 1 3 310.413 2.325 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)CC1 ZINC000374208385 535199778 /nfs/dbraw/zinc/19/97/78/535199778.db2.gz ZPEVKCRYDPIKAN-KRWDZBQOSA-N 1 3 319.497 2.005 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](c3ncc[nH]3)C2)CC1 ZINC000374208385 535199785 /nfs/dbraw/zinc/19/97/85/535199785.db2.gz ZPEVKCRYDPIKAN-KRWDZBQOSA-N 1 3 319.497 2.005 20 0 DEADHO CCCN(C)CC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000359351796 535250980 /nfs/dbraw/zinc/25/09/80/535250980.db2.gz YEZAAFGOUQSLFU-UHFFFAOYSA-N 1 3 303.450 2.240 20 0 DEADHO CCN1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000358940380 535535180 /nfs/dbraw/zinc/53/51/80/535535180.db2.gz VRIDGOYTQZNXSB-JKSUJKDBSA-N 1 3 307.482 2.242 20 0 DEADHO CCN1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000358940380 535535181 /nfs/dbraw/zinc/53/51/81/535535181.db2.gz VRIDGOYTQZNXSB-JKSUJKDBSA-N 1 3 307.482 2.242 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC[C@H](O)COC(C)C ZINC000348321092 535581025 /nfs/dbraw/zinc/58/10/25/535581025.db2.gz RXLRKHWFFSXXEB-YESZJQIVSA-N 1 3 300.487 2.263 20 0 DEADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COC(C)C ZINC000348321092 535581031 /nfs/dbraw/zinc/58/10/31/535581031.db2.gz RXLRKHWFFSXXEB-YESZJQIVSA-N 1 3 300.487 2.263 20 0 DEADHO CCN(C(=O)CN1CCC(CC[NH2+]C)CC1)C1CCCCC1 ZINC000261858199 535662861 /nfs/dbraw/zinc/66/28/61/535662861.db2.gz FNDGOPYCPDYMJD-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CCn1nnc(C)c1CNCC1CC[NH+](CCC(C)C)CC1 ZINC000449177003 535914562 /nfs/dbraw/zinc/91/45/62/535914562.db2.gz OCQKNVOSFQHDEW-UHFFFAOYSA-N 1 3 307.486 2.454 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000377272381 536023572 /nfs/dbraw/zinc/02/35/72/536023572.db2.gz BZUWPVKTVWKHMP-KRWDZBQOSA-N 1 3 303.450 2.305 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000371763385 536027129 /nfs/dbraw/zinc/02/71/29/536027129.db2.gz YLMAALMGHZYWQD-DLBZAZTESA-N 1 3 301.434 2.105 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000371763385 536027134 /nfs/dbraw/zinc/02/71/34/536027134.db2.gz YLMAALMGHZYWQD-DLBZAZTESA-N 1 3 301.434 2.105 20 0 DEADHO Cc1cc(CN(C)CCN(C)C2CC[NH+](C)CC2)cc(C)n1 ZINC001414146345 1152574335 /nfs/dbraw/zinc/57/43/35/1152574335.db2.gz AEJGSUGESZQKFY-UHFFFAOYSA-N 1 3 304.482 2.156 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1 ZINC001379326783 1152609226 /nfs/dbraw/zinc/60/92/26/1152609226.db2.gz JBFRPSUNHFRQSC-SJLPKXTDSA-N 1 3 317.477 2.498 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001379384295 1152617963 /nfs/dbraw/zinc/61/79/63/1152617963.db2.gz PNJZAEGXMFAZHP-ZYHUDNBSSA-N 1 3 317.886 2.336 20 0 DEADHO Cc1cccc(C)c1C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001379553256 1152641360 /nfs/dbraw/zinc/64/13/60/1152641360.db2.gz RWYPITXELUNEAL-FUHWJXTLSA-N 1 3 319.493 2.484 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001369786302 1149193343 /nfs/dbraw/zinc/19/33/43/1149193343.db2.gz UEIWPWGRABODSG-UHFFFAOYSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC001361741642 1152729273 /nfs/dbraw/zinc/72/92/73/1152729273.db2.gz OIIKEPZEFCKEDT-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@H]([NH2+]C/C=C\Cl)C(C)(C)C1)N(C)C ZINC001369436058 1148985322 /nfs/dbraw/zinc/98/53/22/1148985322.db2.gz KPSAFLYVRUXDPG-XQYKZARXSA-N 1 3 315.889 2.152 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)CCC1CC1 ZINC001381590418 1153143403 /nfs/dbraw/zinc/14/34/03/1153143403.db2.gz PKRDNLKXSJASED-DOTOQJQBSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)C/C=C\Cl)CC2)CC[N@@H+]1C ZINC001381979388 1153301056 /nfs/dbraw/zinc/30/10/56/1153301056.db2.gz KUTYAPOFDMMRKK-BPELZBTASA-N 1 3 313.873 2.002 20 0 DEADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)C/C=C\Cl)CC2)CC[N@H+]1C ZINC001381979388 1153301062 /nfs/dbraw/zinc/30/10/62/1153301062.db2.gz KUTYAPOFDMMRKK-BPELZBTASA-N 1 3 313.873 2.002 20 0 DEADHO CCCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC001363248739 1153292942 /nfs/dbraw/zinc/29/29/42/1153292942.db2.gz ZFSQGVPYBHWGEB-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CN1CCCC[C@H]1C(=O)N1CCC([N@H+](C)C/C=C\Cl)CC1 ZINC001381984681 1153304586 /nfs/dbraw/zinc/30/45/86/1153304586.db2.gz WNHVYAVHSMXABS-ZHMISCPASA-N 1 3 313.873 2.146 20 0 DEADHO CN1CCCC[C@H]1C(=O)N1CCC([N@@H+](C)C/C=C\Cl)CC1 ZINC001381984681 1153304590 /nfs/dbraw/zinc/30/45/90/1153304590.db2.gz WNHVYAVHSMXABS-ZHMISCPASA-N 1 3 313.873 2.146 20 0 DEADHO CC(C)N(C)CC(=O)N(C)[C@@H](C[NH2+]CC1CC(C)C1)C1CC1 ZINC001382039861 1153327695 /nfs/dbraw/zinc/32/76/95/1153327695.db2.gz NNKTVTOMELXQSQ-DQPZFDDXSA-N 1 3 309.498 2.199 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000892731136 625502229 /nfs/dbraw/zinc/50/22/29/625502229.db2.gz ARUCPTKPSVYMER-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO CC(C)C[C@@H](N)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309756695 625557109 /nfs/dbraw/zinc/55/71/09/625557109.db2.gz CDTCBKIYYKSLMA-RYQLBKOJSA-N 1 3 317.477 2.387 20 0 DEADHO CC(C)C[C@@H](N)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309756695 625557117 /nfs/dbraw/zinc/55/71/17/625557117.db2.gz CDTCBKIYYKSLMA-RYQLBKOJSA-N 1 3 317.477 2.387 20 0 DEADHO Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)cs1 ZINC001020588850 622926959 /nfs/dbraw/zinc/92/69/59/622926959.db2.gz OHQMRSZOFVAYBF-DAXOMENPSA-N 1 3 321.490 2.135 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC000969947783 623013132 /nfs/dbraw/zinc/01/31/32/623013132.db2.gz HJFYUTHYXBNQTD-GDBMZVCRSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001020980650 623235799 /nfs/dbraw/zinc/23/57/99/623235799.db2.gz PLYINPATCYGWKZ-WKILWMFISA-N 1 3 318.465 2.468 20 0 DEADHO CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021607709 623825332 /nfs/dbraw/zinc/82/53/32/623825332.db2.gz XQTFVXIJRIIRSD-WBVHZDCISA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021607709 623825340 /nfs/dbraw/zinc/82/53/40/623825340.db2.gz XQTFVXIJRIIRSD-WBVHZDCISA-N 1 3 307.482 2.194 20 0 DEADHO Cc1cccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC000971199809 624068070 /nfs/dbraw/zinc/06/80/70/624068070.db2.gz ADCLJUIHXJZXBL-QZTJIDSGSA-N 1 3 315.461 2.122 20 0 DEADHO Cc1cccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC000971199809 624068071 /nfs/dbraw/zinc/06/80/71/624068071.db2.gz ADCLJUIHXJZXBL-QZTJIDSGSA-N 1 3 315.461 2.122 20 0 DEADHO Cc1ccccc1C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000971202404 624068655 /nfs/dbraw/zinc/06/86/55/624068655.db2.gz WPESHPKMTXHGTA-ROUUACIJSA-N 1 3 315.461 2.122 20 0 DEADHO Cc1ccccc1C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000971202404 624068656 /nfs/dbraw/zinc/06/86/56/624068656.db2.gz WPESHPKMTXHGTA-ROUUACIJSA-N 1 3 315.461 2.122 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001026733208 625701365 /nfs/dbraw/zinc/70/13/65/625701365.db2.gz JIMQVEDPLWIGAM-AEFFLSMTSA-N 1 3 315.461 2.027 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC2CCCC2)C1)C1CC1 ZINC000971677420 624501049 /nfs/dbraw/zinc/50/10/49/624501049.db2.gz KGSOYHQGNIRDGJ-SJORKVTESA-N 1 3 307.482 2.050 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2CCCC2)C1)C1CC1 ZINC000971677420 624501054 /nfs/dbraw/zinc/50/10/54/624501054.db2.gz KGSOYHQGNIRDGJ-SJORKVTESA-N 1 3 307.482 2.050 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CC2CCCC2)C1)C1CC1 ZINC000971677419 624501261 /nfs/dbraw/zinc/50/12/61/624501261.db2.gz KGSOYHQGNIRDGJ-IRXDYDNUSA-N 1 3 307.482 2.050 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC2CCCC2)C1)C1CC1 ZINC000971677419 624501265 /nfs/dbraw/zinc/50/12/65/624501265.db2.gz KGSOYHQGNIRDGJ-IRXDYDNUSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2)C1)N(C)C ZINC000971782442 624545008 /nfs/dbraw/zinc/54/50/08/624545008.db2.gz WBCFIJHTQNURPG-QZTJIDSGSA-N 1 3 317.477 2.368 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2)C1)N(C)C ZINC000971782442 624545012 /nfs/dbraw/zinc/54/50/12/624545012.db2.gz WBCFIJHTQNURPG-QZTJIDSGSA-N 1 3 317.477 2.368 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCc2cccs2)C1)N(C)C ZINC000971778519 624546000 /nfs/dbraw/zinc/54/60/00/624546000.db2.gz OJKVDIWYWLAGJI-GDBMZVCRSA-N 1 3 323.506 2.164 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCc2cccs2)C1)N(C)C ZINC000971778519 624546001 /nfs/dbraw/zinc/54/60/01/624546001.db2.gz OJKVDIWYWLAGJI-GDBMZVCRSA-N 1 3 323.506 2.164 20 0 DEADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000892144249 624795509 /nfs/dbraw/zinc/79/55/09/624795509.db2.gz SYOQBQGRBZGKCA-INMHGKMJSA-N 1 3 318.465 2.076 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([N@H+](C)CC3=CCCCC3)C2)C1 ZINC000972332339 624931588 /nfs/dbraw/zinc/93/15/88/624931588.db2.gz BRXUQQCZBXODIJ-WMZOPIPTSA-N 1 3 319.493 2.361 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CC3=CCCCC3)C2)C1 ZINC000972332339 624931589 /nfs/dbraw/zinc/93/15/89/624931589.db2.gz BRXUQQCZBXODIJ-WMZOPIPTSA-N 1 3 319.493 2.361 20 0 DEADHO C[N@H+](CCC1CCCC1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972426873 625071461 /nfs/dbraw/zinc/07/14/61/625071461.db2.gz RBZDDUYAFVLVCH-MRXNPFEDSA-N 1 3 304.438 2.065 20 0 DEADHO C[N@@H+](CCC1CCCC1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972426873 625071471 /nfs/dbraw/zinc/07/14/71/625071471.db2.gz RBZDDUYAFVLVCH-MRXNPFEDSA-N 1 3 304.438 2.065 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CCC1)N(C)C ZINC001024992180 625128805 /nfs/dbraw/zinc/12/88/05/625128805.db2.gz NNCYUGUTHAUGQX-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001026149097 625155834 /nfs/dbraw/zinc/15/58/34/625155834.db2.gz OKULHTVPYCCOKL-RFEVWBHWSA-N 1 3 321.509 2.342 20 0 DEADHO CCC(CC)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001026149097 625155836 /nfs/dbraw/zinc/15/58/36/625155836.db2.gz OKULHTVPYCCOKL-RFEVWBHWSA-N 1 3 321.509 2.342 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000892588262 625174187 /nfs/dbraw/zinc/17/41/87/625174187.db2.gz YLKPFFVUWZPFOM-MUJYYYPQSA-N 1 3 322.497 2.033 20 0 DEADHO Cc1cc(C)cc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001019774803 625831943 /nfs/dbraw/zinc/83/19/43/625831943.db2.gz JBBRRAROWAIWPD-SFHVURJKSA-N 1 3 315.461 2.090 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001019776066 625833248 /nfs/dbraw/zinc/83/32/48/625833248.db2.gz USSUUUYTTBVAFW-IRXDYDNUSA-N 1 3 315.461 2.342 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccsc2)C1)N(C)C ZINC000999488781 634618840 /nfs/dbraw/zinc/61/88/40/634618840.db2.gz HATAIXLRDJEQLO-HUUCEWRRSA-N 1 3 309.479 2.169 20 0 DEADHO COC(=O)[C@@H](C)Oc1ccccc1C[NH2+]C[C@H]1CCCN(C)C1 ZINC000921714473 634804030 /nfs/dbraw/zinc/80/40/30/634804030.db2.gz ASYQEZZNCPRCOJ-HUUCEWRRSA-N 1 3 320.433 2.058 20 0 DEADHO CC1(C)C[C@H]([NH3+])C[C@@H](NCC2(S(C)(=O)=O)CCCCC2)C1 ZINC000925706748 633263626 /nfs/dbraw/zinc/26/36/26/633263626.db2.gz FYGAPODZVREUBH-ZIAGYGMSSA-N 1 3 316.511 2.230 20 0 DEADHO Cc1ccc(NC(=S)NC2CC[NH+](C)CC2)c(CN(C)C)c1 ZINC000733752451 633281289 /nfs/dbraw/zinc/28/12/89/633281289.db2.gz WRTAHLJPEKQQPW-UHFFFAOYSA-N 1 3 320.506 2.437 20 0 DEADHO CC1(C)C[N@H+](CCC2CC2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC000974765199 633290405 /nfs/dbraw/zinc/29/04/05/633290405.db2.gz CLUPLKXYSPIGDZ-MRXNPFEDSA-N 1 3 319.493 2.242 20 0 DEADHO CC1(C)C[N@@H+](CCC2CC2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC000974765199 633290408 /nfs/dbraw/zinc/29/04/08/633290408.db2.gz CLUPLKXYSPIGDZ-MRXNPFEDSA-N 1 3 319.493 2.242 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]CC3=CCCCC3)C2)C1 ZINC001027065050 633385690 /nfs/dbraw/zinc/38/56/90/633385690.db2.gz PPSZETPFFLSHLE-FUHWJXTLSA-N 1 3 319.493 2.267 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H](C[NH2+]CC3CCCC3)C2)CC1 ZINC001027139423 633455019 /nfs/dbraw/zinc/45/50/19/633455019.db2.gz IJAFQEGMESQPTA-SFHVURJKSA-N 1 3 321.509 2.347 20 0 DEADHO CCN1CCN(CCC[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)CC1 ZINC000921526034 633584530 /nfs/dbraw/zinc/58/45/30/633584530.db2.gz DEVUBNJEININOS-INIZCTEOSA-N 1 3 317.477 2.127 20 0 DEADHO COCC[NH+]1CCC(NCc2ccc3c(c2)C[C@H](C)O3)CC1 ZINC000921595994 633742925 /nfs/dbraw/zinc/74/29/25/633742925.db2.gz RWWZAYRIALYXFX-AWEZNQCLSA-N 1 3 304.434 2.210 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([N@H+](C)CC2CCC2)C1 ZINC001027576238 634182928 /nfs/dbraw/zinc/18/29/28/634182928.db2.gz MSOANHSQGDODCH-RDJZCZTQSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([N@@H+](C)CC2CCC2)C1 ZINC001027576238 634182934 /nfs/dbraw/zinc/18/29/34/634182934.db2.gz MSOANHSQGDODCH-RDJZCZTQSA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[NH2+]CC2CCC2)CC1 ZINC000998289467 634201427 /nfs/dbraw/zinc/20/14/27/634201427.db2.gz MHXQZIVEINYDOJ-SFHVURJKSA-N 1 3 321.509 2.489 20 0 DEADHO C[N@H+](CC1CCCC1)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594811 634239261 /nfs/dbraw/zinc/23/92/61/634239261.db2.gz OVBAKRWJMZBUMT-INIZCTEOSA-N 1 3 304.438 2.065 20 0 DEADHO C[N@@H+](CC1CCCC1)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594811 634239265 /nfs/dbraw/zinc/23/92/65/634239265.db2.gz OVBAKRWJMZBUMT-INIZCTEOSA-N 1 3 304.438 2.065 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCC1 ZINC001027879617 634852567 /nfs/dbraw/zinc/85/25/67/634852567.db2.gz VOUOIPOMGLCFKG-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCC1 ZINC001027879617 634852570 /nfs/dbraw/zinc/85/25/70/634852570.db2.gz VOUOIPOMGLCFKG-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC=C(C)C ZINC001027918252 634964160 /nfs/dbraw/zinc/96/41/60/634964160.db2.gz LFNCBMQZLPXOEC-SJORKVTESA-N 1 3 307.482 2.408 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC=C(C)C ZINC001027918252 634964162 /nfs/dbraw/zinc/96/41/62/634964162.db2.gz LFNCBMQZLPXOEC-SJORKVTESA-N 1 3 307.482 2.408 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1CC=C(C)C ZINC001027918252 634964164 /nfs/dbraw/zinc/96/41/64/634964164.db2.gz LFNCBMQZLPXOEC-SJORKVTESA-N 1 3 307.482 2.408 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1CC=C(C)C ZINC001027918252 634964165 /nfs/dbraw/zinc/96/41/65/634964165.db2.gz LFNCBMQZLPXOEC-SJORKVTESA-N 1 3 307.482 2.408 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]([N@H+](C)CC2CC2)C1 ZINC000980479384 635017119 /nfs/dbraw/zinc/01/71/19/635017119.db2.gz VMMXEXYVXAYOFI-QGZVFWFLSA-N 1 3 315.461 2.305 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]([N@@H+](C)CC2CC2)C1 ZINC000980479384 635017121 /nfs/dbraw/zinc/01/71/21/635017121.db2.gz VMMXEXYVXAYOFI-QGZVFWFLSA-N 1 3 315.461 2.305 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC001000312260 635141914 /nfs/dbraw/zinc/14/19/14/635141914.db2.gz NSVSRQOCGKPENE-YJBOKZPZSA-N 1 3 324.428 2.220 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001000312755 635141946 /nfs/dbraw/zinc/14/19/46/635141946.db2.gz PPKGAOQVQIEMOP-MRXNPFEDSA-N 1 3 316.449 2.423 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC2CC2)C1 ZINC001000381150 635166246 /nfs/dbraw/zinc/16/62/46/635166246.db2.gz XWYAYGBMBKYHOU-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001000990146 635383636 /nfs/dbraw/zinc/38/36/36/635383636.db2.gz AGBCELCWJNNVQU-MRXNPFEDSA-N 1 3 303.450 2.351 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CCC[N@H+](CCC2CC2)C3)C1 ZINC000982012527 635808963 /nfs/dbraw/zinc/80/89/63/635808963.db2.gz YRLBSRKQKKSEBZ-INIZCTEOSA-N 1 3 319.493 2.053 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CCC[N@@H+](CCC2CC2)C3)C1 ZINC000982012527 635808968 /nfs/dbraw/zinc/80/89/68/635808968.db2.gz YRLBSRKQKKSEBZ-INIZCTEOSA-N 1 3 319.493 2.053 20 0 DEADHO C[C@H]1Cc2cc(C[NH2+]CCN3CCN(C)C(C)(C)C3)ccc2O1 ZINC000922097913 635862491 /nfs/dbraw/zinc/86/24/91/635862491.db2.gz DKRDBHMIOSERAF-HNNXBMFYSA-N 1 3 317.477 2.126 20 0 DEADHO Cc1ccc([C@@H](C)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c(C)n1 ZINC000925859234 635959244 /nfs/dbraw/zinc/95/92/44/635959244.db2.gz WKYLPORISGUWNH-UKRRQHHQSA-N 1 3 317.433 2.034 20 0 DEADHO CC(C)(C(=O)NC1CC[NH+](CC2CCC2)CC1)N1CCCC1 ZINC001003424063 635965567 /nfs/dbraw/zinc/96/55/67/635965567.db2.gz MSEYYELCOCAICZ-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001003740453 636043534 /nfs/dbraw/zinc/04/35/34/636043534.db2.gz KFVWEVWMSHHMRM-KRWDZBQOSA-N 1 3 309.498 2.486 20 0 DEADHO C[NH+]1CCC2(CCCN2[C@@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000893854559 636048049 /nfs/dbraw/zinc/04/80/49/636048049.db2.gz BLDKDUUQPPRZMB-LSDHHAIUSA-N 1 3 312.429 2.180 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+]1CCCF ZINC001028333403 636133688 /nfs/dbraw/zinc/13/36/88/636133688.db2.gz JSSTTYJMNDFADI-INIZCTEOSA-N 1 3 321.440 2.302 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CCC[N@H+]1CCCF ZINC001028333403 636133690 /nfs/dbraw/zinc/13/36/90/636133690.db2.gz JSSTTYJMNDFADI-INIZCTEOSA-N 1 3 321.440 2.302 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001028537134 636329149 /nfs/dbraw/zinc/32/91/49/636329149.db2.gz HSXXYGLZXBVJIB-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001028537134 636329153 /nfs/dbraw/zinc/32/91/53/636329153.db2.gz HSXXYGLZXBVJIB-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO O=C(N[C@H]1C[NH+]2CCC1CC2)c1ccc(CN2CCCCC2)o1 ZINC000222533329 636360303 /nfs/dbraw/zinc/36/03/03/636360303.db2.gz OOFRATRIBQUJKK-INIZCTEOSA-N 1 3 317.433 2.090 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN(C/C=C/Cl)C1 ZINC001028580173 636373210 /nfs/dbraw/zinc/37/32/10/636373210.db2.gz RGGZITDWJOSKHZ-SJPZSHDVSA-N 1 3 313.873 2.051 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN(C/C=C/Cl)C1 ZINC001028580173 636373216 /nfs/dbraw/zinc/37/32/16/636373216.db2.gz RGGZITDWJOSKHZ-SJPZSHDVSA-N 1 3 313.873 2.051 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001004371569 636400439 /nfs/dbraw/zinc/40/04/39/636400439.db2.gz PHYJYVZXKSTYEF-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001004371569 636400444 /nfs/dbraw/zinc/40/04/44/636400444.db2.gz PHYJYVZXKSTYEF-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO c1ncc(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)[nH]1 ZINC000894193803 636403290 /nfs/dbraw/zinc/40/32/90/636403290.db2.gz LJRQGHIOZTYHQN-UHFFFAOYSA-N 1 3 313.449 2.102 20 0 DEADHO CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001004466199 636461549 /nfs/dbraw/zinc/46/15/49/636461549.db2.gz SWHZADXFLBAGIF-IRXDYDNUSA-N 1 3 309.498 2.296 20 0 DEADHO CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001004466199 636461552 /nfs/dbraw/zinc/46/15/52/636461552.db2.gz SWHZADXFLBAGIF-IRXDYDNUSA-N 1 3 309.498 2.296 20 0 DEADHO CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CC2)CC1)N(C)C ZINC001004547211 636484567 /nfs/dbraw/zinc/48/45/67/636484567.db2.gz MTECXZQRIJNXTM-ZWKOTPCHSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC2CC2)CC1)N(C)C ZINC001004547211 636484568 /nfs/dbraw/zinc/48/45/68/636484568.db2.gz MTECXZQRIJNXTM-ZWKOTPCHSA-N 1 3 321.509 2.440 20 0 DEADHO CCC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779190 636646417 /nfs/dbraw/zinc/64/64/17/636646417.db2.gz JJUYTWWITGJNNN-ZACQAIPSSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779190 636646421 /nfs/dbraw/zinc/64/64/21/636646421.db2.gz JJUYTWWITGJNNN-ZACQAIPSSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C(C)C)CC[C@@H]2C1 ZINC000946808629 636664104 /nfs/dbraw/zinc/66/41/04/636664104.db2.gz PYIZQWUVSSLJFV-KSZLIROESA-N 1 3 321.509 2.440 20 0 DEADHO CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C(C)C)CC[C@@H]2C1 ZINC000946808629 636664106 /nfs/dbraw/zinc/66/41/06/636664106.db2.gz PYIZQWUVSSLJFV-KSZLIROESA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[C@](C)(C[NH3+])NC[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000923297048 637097705 /nfs/dbraw/zinc/09/77/05/637097705.db2.gz XAYHBMSXTKGEBU-WDSOQIARSA-N 1 3 320.477 2.405 20 0 DEADHO Cc1cccc(C)c1OC[C@H](O)CN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000923387286 637155339 /nfs/dbraw/zinc/15/53/39/637155339.db2.gz IGTPWMWLAYGOBE-SCTDSRPQSA-N 1 3 318.461 2.104 20 0 DEADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000923423215 637170081 /nfs/dbraw/zinc/17/00/81/637170081.db2.gz WCTLOIGSFWXXOB-HPBDAGMYSA-N 1 3 318.461 2.157 20 0 DEADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000923423215 637170085 /nfs/dbraw/zinc/17/00/85/637170085.db2.gz WCTLOIGSFWXXOB-HPBDAGMYSA-N 1 3 318.461 2.157 20 0 DEADHO CCCN(Cc1ccc(C)cc1)C(=O)CN1CC[C@H](CC[NH3+])C1 ZINC000923486632 637200648 /nfs/dbraw/zinc/20/06/48/637200648.db2.gz ISAXNTVGKZKGQC-SFHVURJKSA-N 1 3 317.477 2.404 20 0 DEADHO [NH3+]CC[C@@H]1CCN([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000923482259 637203680 /nfs/dbraw/zinc/20/36/80/637203680.db2.gz PQEOXHSVWCFLPT-IUODEOHRSA-N 1 3 307.825 2.116 20 0 DEADHO COc1ccc(-c2noc([C@@H](C)N3CC[C@H](CC[NH3+])C3)n2)cc1 ZINC000923485227 637205567 /nfs/dbraw/zinc/20/55/67/637205567.db2.gz QYMRBKNYAIVJMQ-OLZOCXBDSA-N 1 3 316.405 2.477 20 0 DEADHO C[C@@H]1CN([C@H]2CCCN(c3cccc(F)c3)C2=O)CC[C@H]1C[NH3+] ZINC000923495411 637206595 /nfs/dbraw/zinc/20/65/95/637206595.db2.gz CADXQOZGRZMUBO-KEYYUXOJSA-N 1 3 319.424 2.238 20 0 DEADHO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CC[C@@H](CC[NH3+])C1 ZINC000923492043 637210576 /nfs/dbraw/zinc/21/05/76/637210576.db2.gz MTQLJPXNFNYYIQ-RRFJBIMHSA-N 1 3 301.434 2.023 20 0 DEADHO Cc1csc(=O)n1CCN1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923502782 637212926 /nfs/dbraw/zinc/21/29/26/637212926.db2.gz AMQFQOBKEYBGDQ-OAHLLOKOSA-N 1 3 323.506 2.320 20 0 DEADHO CCN(C(=O)[C@H](C)N1CC[C@@H](C[NH3+])[C@H](C)C1)c1ccccc1 ZINC000923503460 637224309 /nfs/dbraw/zinc/22/43/09/637224309.db2.gz IRXNPDSLDLFCAM-PMPSAXMXSA-N 1 3 303.450 2.345 20 0 DEADHO [NH3+][C@@H]1CC[C@H](CN2C[C@@H](C[C@@H]3COCCN3)c3ccccc32)C1 ZINC000923540756 637238272 /nfs/dbraw/zinc/23/82/72/637238272.db2.gz NBUAIJGYIXIIBG-YLFCFFPRSA-N 1 3 315.461 2.096 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@@H](C)[NH2+]C(C)C)CC1 ZINC001029174013 637293329 /nfs/dbraw/zinc/29/33/29/637293329.db2.gz XGPJKLKIKOLUDY-NVXWUHKLSA-N 1 3 309.498 2.486 20 0 DEADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)NCCCCC[NH+]1CCCC1 ZINC000895049822 637418362 /nfs/dbraw/zinc/41/83/62/637418362.db2.gz GEADFDRVROCNMD-DLBZAZTESA-N 1 3 322.497 2.131 20 0 DEADHO COc1cccc(NC(=O)C[C@@H](C)NCC[C@H](C)[NH+](C)C)c1 ZINC000895294486 637893797 /nfs/dbraw/zinc/89/37/97/637893797.db2.gz QHPDXPLHJJPBPF-KGLIPLIRSA-N 1 3 307.438 2.342 20 0 DEADHO COc1cccc(NC(=O)C[C@@H](C)[NH2+]CC[C@H](C)N(C)C)c1 ZINC000895294486 637893803 /nfs/dbraw/zinc/89/38/03/637893803.db2.gz QHPDXPLHJJPBPF-KGLIPLIRSA-N 1 3 307.438 2.342 20 0 DEADHO CCn1cc(CN(CCOC)CC2CC[NH+](C)CC2)c(C)n1 ZINC000895692040 638146951 /nfs/dbraw/zinc/14/69/51/638146951.db2.gz MLZGALSMKRQWFU-UHFFFAOYSA-N 1 3 308.470 2.002 20 0 DEADHO CN(C)c1ccc(N2CCC([NH2+][C@@H]3CCCCNC3)CC2)cc1 ZINC000841091125 650428925 /nfs/dbraw/zinc/42/89/25/650428925.db2.gz UOALFYKSDSZYGL-QGZVFWFLSA-N 1 3 316.493 2.453 20 0 DEADHO CN(C)c1ccc(N2CCC(N[C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000841091125 650428927 /nfs/dbraw/zinc/42/89/27/650428927.db2.gz UOALFYKSDSZYGL-QGZVFWFLSA-N 1 3 316.493 2.453 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000985328454 639284455 /nfs/dbraw/zinc/28/44/55/639284455.db2.gz TYYJDIZQYNSHOH-GOSISDBHSA-N 1 3 315.461 2.204 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000985328454 639284459 /nfs/dbraw/zinc/28/44/59/639284459.db2.gz TYYJDIZQYNSHOH-GOSISDBHSA-N 1 3 315.461 2.204 20 0 DEADHO CC1CC(C[N@H+](C)C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC000985652775 639564535 /nfs/dbraw/zinc/56/45/35/639564535.db2.gz IFEAHMBKLCRXMW-GTPINHCMSA-N 1 3 321.509 2.297 20 0 DEADHO CC1CC(C[N@@H+](C)C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC000985652775 639564537 /nfs/dbraw/zinc/56/45/37/639564537.db2.gz IFEAHMBKLCRXMW-GTPINHCMSA-N 1 3 321.509 2.297 20 0 DEADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1cccc2c1OCO2 ZINC000925240852 639742234 /nfs/dbraw/zinc/74/22/34/639742234.db2.gz LHXDKAFUQOYYNR-UONOGXRCSA-N 1 3 308.422 2.423 20 0 DEADHO C[C@@H]1[C@@H]([NH2+]CC2CCCC2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986933589 640019533 /nfs/dbraw/zinc/01/95/33/640019533.db2.gz CDXJUCRAGSOIMR-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1[C@@H]([NH2+]CC2CCC2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987253196 640143050 /nfs/dbraw/zinc/14/30/50/640143050.db2.gz IVNKYBNYDCNLQZ-WBVHZDCISA-N 1 3 307.482 2.097 20 0 DEADHO CCC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@@H]1C ZINC000987568414 640225103 /nfs/dbraw/zinc/22/51/03/640225103.db2.gz RFBAMFRMZYJGQZ-RHSMWYFYSA-N 1 3 303.450 2.351 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)CN1C(=O)CN1CCCC1 ZINC000989798807 641237063 /nfs/dbraw/zinc/23/70/63/641237063.db2.gz GGJLQINLLXAVFR-ZBFHGGJFSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1cc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c(C)o1 ZINC000769525362 641256878 /nfs/dbraw/zinc/25/68/78/641256878.db2.gz HLZZTWCKUFWGIX-KSSFIOAISA-N 1 3 305.466 2.354 20 0 DEADHO Cc1cc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c(C)o1 ZINC000769525362 641256886 /nfs/dbraw/zinc/25/68/86/641256886.db2.gz HLZZTWCKUFWGIX-KSSFIOAISA-N 1 3 305.466 2.354 20 0 DEADHO Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCN3C)CC2)cs1 ZINC000990276403 641429889 /nfs/dbraw/zinc/42/98/89/641429889.db2.gz IVAONLRVLBOCOU-INIZCTEOSA-N 1 3 321.490 2.231 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cccc3c2OCO3)CC1 ZINC000924670741 641566977 /nfs/dbraw/zinc/56/69/77/641566977.db2.gz NFRLSQKBDREBTI-CABCVRRESA-N 1 3 319.449 2.092 20 0 DEADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)C12CC[NH+](CC1)C2 ZINC000900013094 642233811 /nfs/dbraw/zinc/23/38/11/642233811.db2.gz GWZQRGFSLVUILV-KRWDZBQOSA-N 1 3 313.445 2.036 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000900333905 642323342 /nfs/dbraw/zinc/32/33/42/642323342.db2.gz FXLDVUVSFFOACV-RDJZCZTQSA-N 1 3 313.445 2.034 20 0 DEADHO C[NH+](C)CCCCNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900688723 642445278 /nfs/dbraw/zinc/44/52/78/642445278.db2.gz CKTBYADAOVPMIX-UHFFFAOYSA-N 1 3 302.422 2.362 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781403487 642747445 /nfs/dbraw/zinc/74/74/45/642747445.db2.gz YLHBMUGUOPNVRV-LSDHHAIUSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000781403487 642747448 /nfs/dbraw/zinc/74/74/48/642747448.db2.gz YLHBMUGUOPNVRV-LSDHHAIUSA-N 1 3 307.482 2.240 20 0 DEADHO CC1(C)C[NH2+]CC[C@H](NCc2ccc(Cn3cncn3)cc2)C1 ZINC000902336181 643008630 /nfs/dbraw/zinc/00/86/30/643008630.db2.gz WFIGTKWNOPXWKD-KRWDZBQOSA-N 1 3 313.449 2.194 20 0 DEADHO CC1(C)C[NH2+]CC[C@@H](NCCc2ccccc2S(C)(=O)=O)C1 ZINC000902402056 643030978 /nfs/dbraw/zinc/03/09/78/643030978.db2.gz AFAYAXUXWHNGFK-OAHLLOKOSA-N 1 3 324.490 2.000 20 0 DEADHO C[C@H](C[C@@H]1COCC[NH2+]1)N[C@@H](C)c1cnn(CC2CCC2)c1 ZINC000902502394 643054214 /nfs/dbraw/zinc/05/42/14/643054214.db2.gz FAZAQEUJGFGVST-JKIFEVAISA-N 1 3 306.454 2.101 20 0 DEADHO CN1CCN(CCCC[NH2+][C@H](c2ccccn2)C2CC2)CC1 ZINC000903065448 643236037 /nfs/dbraw/zinc/23/60/37/643236037.db2.gz GSVVMRFKDYHEFC-SFHVURJKSA-N 1 3 302.466 2.150 20 0 DEADHO OC[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)Cc1ccoc1 ZINC000903217092 643292656 /nfs/dbraw/zinc/29/26/56/643292656.db2.gz OSKXRGXPVWQUMX-UNPWZGGWSA-N 1 3 304.434 2.178 20 0 DEADHO OC[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)Cc1ccoc1 ZINC000903217092 643292657 /nfs/dbraw/zinc/29/26/57/643292657.db2.gz OSKXRGXPVWQUMX-UNPWZGGWSA-N 1 3 304.434 2.178 20 0 DEADHO C[C@@H]1C[C@]2(CC[C@@H](CNC3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)O2)CO1 ZINC000903219172 643293679 /nfs/dbraw/zinc/29/36/79/643293679.db2.gz GMVYGLBGPSJXFO-BQLUJIFISA-N 1 3 320.477 2.460 20 0 DEADHO C[C@@H]1C[C@]2(CC[C@@H](CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)O2)CO1 ZINC000903219172 643293681 /nfs/dbraw/zinc/29/36/81/643293681.db2.gz GMVYGLBGPSJXFO-BQLUJIFISA-N 1 3 320.477 2.460 20 0 DEADHO O[C@H]1C[C@](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)(c2ccccc2)C1 ZINC000903275827 643307062 /nfs/dbraw/zinc/30/70/62/643307062.db2.gz DEJZTTXWKNCQEL-NCXUSEDFSA-N 1 3 300.446 2.296 20 0 DEADHO O[C@H]1C[C@](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)(c2ccccc2)C1 ZINC000903275827 643307063 /nfs/dbraw/zinc/30/70/63/643307063.db2.gz DEJZTTXWKNCQEL-NCXUSEDFSA-N 1 3 300.446 2.296 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000903474265 643359987 /nfs/dbraw/zinc/35/99/87/643359987.db2.gz KJTOIZTVVBCVEC-CJNGLKHVSA-N 1 3 318.465 2.447 20 0 DEADHO Fc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)c1 ZINC000903508634 643373535 /nfs/dbraw/zinc/37/35/35/643373535.db2.gz OYEYKLCMAXHYEO-HDICACEKSA-N 1 3 303.425 2.226 20 0 DEADHO Fc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)c1 ZINC000903508634 643373538 /nfs/dbraw/zinc/37/35/38/643373538.db2.gz OYEYKLCMAXHYEO-HDICACEKSA-N 1 3 303.425 2.226 20 0 DEADHO Fc1cccc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1 ZINC000903508634 643373541 /nfs/dbraw/zinc/37/35/41/643373541.db2.gz OYEYKLCMAXHYEO-HDICACEKSA-N 1 3 303.425 2.226 20 0 DEADHO Cc1cc([C@@H]2CCCN2C[C@@H]2CC3(CO2)CC[NH2+]CC3)on1 ZINC000903721871 643438964 /nfs/dbraw/zinc/43/89/64/643438964.db2.gz FRVPVGIHMZQERE-GJZGRUSLSA-N 1 3 305.422 2.279 20 0 DEADHO CC(C)CNC(=O)[C@@H](C)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793998 643457307 /nfs/dbraw/zinc/45/73/07/643457307.db2.gz MLZZMMGYYOBENA-MRXNPFEDSA-N 1 3 317.477 2.140 20 0 DEADHO CC[C@H](C)NC(=O)[C@@H](C)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793362 643457440 /nfs/dbraw/zinc/45/74/40/643457440.db2.gz BLESZDOHQFTNNM-JKSUJKDBSA-N 1 3 317.477 2.282 20 0 DEADHO CS[C@@H]1CCCC[N@H+](C[C@H](CN)Cc2cnn(C)c2C)C1 ZINC000903899760 643501627 /nfs/dbraw/zinc/50/16/27/643501627.db2.gz UHNGUKFNCBTXBO-GOEBONIOSA-N 1 3 310.511 2.063 20 0 DEADHO CS[C@@H]1CCCC[N@@H+](C[C@H](CN)Cc2cnn(C)c2C)C1 ZINC000903899760 643501628 /nfs/dbraw/zinc/50/16/28/643501628.db2.gz UHNGUKFNCBTXBO-GOEBONIOSA-N 1 3 310.511 2.063 20 0 DEADHO CS[C@@H]1CCCCN(C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903899760 643501635 /nfs/dbraw/zinc/50/16/35/643501635.db2.gz UHNGUKFNCBTXBO-GOEBONIOSA-N 1 3 310.511 2.063 20 0 DEADHO c1ncn(-c2ccc(CN3CCCC[C@]4(CC[NH2+]C4)C3)cc2)n1 ZINC000903959432 643520278 /nfs/dbraw/zinc/52/02/78/643520278.db2.gz HYFHJUYPQLBMAI-GOSISDBHSA-N 1 3 311.433 2.233 20 0 DEADHO C[C@@H](NCC1([NH+]2CCCC2)CCOCC1)c1cc[nH]c(=O)c1 ZINC000788592669 643626550 /nfs/dbraw/zinc/62/65/50/643626550.db2.gz FBSBCDQLCRUBKD-CQSZACIVSA-N 1 3 305.422 2.083 20 0 DEADHO CN(C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000904320710 643636044 /nfs/dbraw/zinc/63/60/44/643636044.db2.gz MYGUQPPUTOAIBC-TYNCELHUSA-N 1 3 307.825 2.114 20 0 DEADHO C[C@@H]1CN(Cc2ccnn2-c2ccc(F)cc2)CC[C@H]1C[NH3+] ZINC000904409721 643661181 /nfs/dbraw/zinc/66/11/81/643661181.db2.gz HCZPGGZFAAHXAK-KGLIPLIRSA-N 1 3 302.397 2.428 20 0 DEADHO CC(C)(C)[NH+]1CCC(NC[C@H](O)CC2(CO)CCCC2)CC1 ZINC000905056127 643782135 /nfs/dbraw/zinc/78/21/35/643782135.db2.gz WALZXTJTJWABLJ-MRXNPFEDSA-N 1 3 312.498 2.143 20 0 DEADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](O)CC2(CO)CCCC2)C1 ZINC000905070349 643786930 /nfs/dbraw/zinc/78/69/30/643786930.db2.gz KCMZJWMNQJQHCU-DLBZAZTESA-N 1 3 312.498 2.000 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@H](O)CC2(CO)CCCC2)C1 ZINC000905070349 643786934 /nfs/dbraw/zinc/78/69/34/643786934.db2.gz KCMZJWMNQJQHCU-DLBZAZTESA-N 1 3 312.498 2.000 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC[C@H](O)CC2(CO)CCCC2)C1 ZINC000905070349 643786937 /nfs/dbraw/zinc/78/69/37/643786937.db2.gz KCMZJWMNQJQHCU-DLBZAZTESA-N 1 3 312.498 2.000 20 0 DEADHO CCCC[NH+]1CCC(NC[C@@H](O)CC2(CO)CCCC2)CC1 ZINC000905104420 643791005 /nfs/dbraw/zinc/79/10/05/643791005.db2.gz GDTDKVUINZAPAS-KRWDZBQOSA-N 1 3 312.498 2.144 20 0 DEADHO C[C@H](NC[C@@H](O)C[C@H](O)c1ccccc1)C(C)(C)C[NH+](C)C ZINC000905131199 643806110 /nfs/dbraw/zinc/80/61/10/643806110.db2.gz DKESYVIWBBOASE-XIRDDKMYSA-N 1 3 308.466 2.037 20 0 DEADHO C[C@H](NC[C@H](O)C[C@H](O)c1ccccc1)C(C)(C)C[NH+](C)C ZINC000905131197 643806372 /nfs/dbraw/zinc/80/63/72/643806372.db2.gz DKESYVIWBBOASE-UAGQMJEPSA-N 1 3 308.466 2.037 20 0 DEADHO Cc1cccc([C@H](O)CNCCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000905235235 643845618 /nfs/dbraw/zinc/84/56/18/643845618.db2.gz XVGUXBMFIPESTL-FUHWJXTLSA-N 1 3 306.450 2.119 20 0 DEADHO Cc1cccc([C@H](O)CNCCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000905235235 643845621 /nfs/dbraw/zinc/84/56/21/643845621.db2.gz XVGUXBMFIPESTL-FUHWJXTLSA-N 1 3 306.450 2.119 20 0 DEADHO CN(C)Cc1ccsc1-c1nc(CC2CC[NH2+]CC2)no1 ZINC000905315611 643861102 /nfs/dbraw/zinc/86/11/02/643861102.db2.gz WSKUSXWUJBHIEM-UHFFFAOYSA-N 1 3 306.435 2.402 20 0 DEADHO CC(C)CN(Cc1cn(C2CC2)nn1)CC1CC[NH+](C)CC1 ZINC000906326621 644212729 /nfs/dbraw/zinc/21/27/29/644212729.db2.gz REDOQZWDKVSUDI-UHFFFAOYSA-N 1 3 305.470 2.413 20 0 DEADHO C[N@@H+]1CC[C@H](NCc2cccnc2-n2ccnc2)[C@H]2CCC[C@@H]21 ZINC000796695503 644778270 /nfs/dbraw/zinc/77/82/70/644778270.db2.gz OOANATCCBJOAHW-IKGGRYGDSA-N 1 3 311.433 2.230 20 0 DEADHO C[N@H+]1CC[C@H](NCc2cccnc2-n2ccnc2)[C@H]2CCC[C@@H]21 ZINC000796695503 644778272 /nfs/dbraw/zinc/77/82/72/644778272.db2.gz OOANATCCBJOAHW-IKGGRYGDSA-N 1 3 311.433 2.230 20 0 DEADHO CN1CC[C@H]([NH2+]Cc2cccnc2-n2ccnc2)[C@H]2CCC[C@@H]21 ZINC000796695503 644778277 /nfs/dbraw/zinc/77/82/77/644778277.db2.gz OOANATCCBJOAHW-IKGGRYGDSA-N 1 3 311.433 2.230 20 0 DEADHO C[N@@H+]1CC[C@H](NC[C@H](O)c2c(F)cccc2F)[C@@H]2CCC[C@@H]21 ZINC000796817955 644797885 /nfs/dbraw/zinc/79/78/85/644797885.db2.gz OPKHHQPCSYSNBC-DDWPSWQVSA-N 1 3 310.388 2.461 20 0 DEADHO C[N@H+]1CC[C@H](NC[C@H](O)c2c(F)cccc2F)[C@@H]2CCC[C@@H]21 ZINC000796817955 644797889 /nfs/dbraw/zinc/79/78/89/644797889.db2.gz OPKHHQPCSYSNBC-DDWPSWQVSA-N 1 3 310.388 2.461 20 0 DEADHO C[C@H](CNC(=O)c1ccc(NC2=NCCC2)cc1)C[NH+](C)C ZINC000908344331 644826904 /nfs/dbraw/zinc/82/69/04/644826904.db2.gz FFNPZRWNYCWLRF-CYBMUJFWSA-N 1 3 302.422 2.218 20 0 DEADHO CC[NH2+]Cc1ccccc1NC(=O)c1cc2n(n1)CCC[C@@H]2N ZINC000911685259 645782795 /nfs/dbraw/zinc/78/27/95/645782795.db2.gz MRACDSLUUSNFKP-ZDUSSCGKSA-N 1 3 313.405 2.039 20 0 DEADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000309992625 646287503 /nfs/dbraw/zinc/28/75/03/646287503.db2.gz AOFQCJIEVWCWHY-RBUKOAKNSA-N 1 3 320.477 2.226 20 0 DEADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000309992625 646287506 /nfs/dbraw/zinc/28/75/06/646287506.db2.gz AOFQCJIEVWCWHY-RBUKOAKNSA-N 1 3 320.477 2.226 20 0 DEADHO C[C@@H](F)CCN1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001030033512 646443510 /nfs/dbraw/zinc/44/35/10/646443510.db2.gz IHJKBJKTUOWPNN-UGUYLWEFSA-N 1 3 313.461 2.045 20 0 DEADHO C[C@@H](F)CCN1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001030033512 646443511 /nfs/dbraw/zinc/44/35/11/646443511.db2.gz IHJKBJKTUOWPNN-UGUYLWEFSA-N 1 3 313.461 2.045 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)[C@H]2CCC[N@H+](CC3CCC3)CC2)C1 ZINC000948767213 646617332 /nfs/dbraw/zinc/61/73/32/646617332.db2.gz SHUULAZCRDPAQV-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)[C@H]2CCC[N@@H+](CC3CCC3)CC2)C1 ZINC000948767213 646617334 /nfs/dbraw/zinc/61/73/34/646617334.db2.gz SHUULAZCRDPAQV-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]21 ZINC000992725304 647196899 /nfs/dbraw/zinc/19/68/99/647196899.db2.gz ZRWQXBBOMHQUPV-BZUAXINKSA-N 1 3 307.482 2.097 20 0 DEADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(F)nc3)CC2)CC1 ZINC000817413972 647288766 /nfs/dbraw/zinc/28/87/66/647288766.db2.gz OEJMXVGEPADRGS-UHFFFAOYSA-N 1 3 320.456 2.213 20 0 DEADHO CCCC[N@@H+]1CCC[C@@H](NC(=O)C23CCCN2CCC3)[C@@H]1C ZINC000993525049 647689381 /nfs/dbraw/zinc/68/93/81/647689381.db2.gz DNQICECPTONJSM-JKSUJKDBSA-N 1 3 307.482 2.384 20 0 DEADHO CCCC[N@H+]1CCC[C@@H](NC(=O)C23CCCN2CCC3)[C@@H]1C ZINC000993525049 647689382 /nfs/dbraw/zinc/68/93/82/647689382.db2.gz DNQICECPTONJSM-JKSUJKDBSA-N 1 3 307.482 2.384 20 0 DEADHO CC(C)N1C[C@H](N[C@H](C)c2cccc(C[NH+](C)C)c2)CC1=O ZINC000925453762 648084250 /nfs/dbraw/zinc/08/42/50/648084250.db2.gz MVCMUCPQJSFFHG-RHSMWYFYSA-N 1 3 303.450 2.408 20 0 DEADHO C[C@H]1[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)CCN1C ZINC000919651976 648169472 /nfs/dbraw/zinc/16/94/72/648169472.db2.gz SBCUALWIPKMZPY-JKSUJKDBSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261558372 648580568 /nfs/dbraw/zinc/58/05/68/648580568.db2.gz YFPGJGMAQQZGSD-HZPDHXFCSA-N 1 3 303.450 2.013 20 0 DEADHO CCCN(C(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@@H]1CCN(C)C1 ZINC000825848169 648817421 /nfs/dbraw/zinc/81/74/21/648817421.db2.gz YRLJYVCWYRHKMN-MRXNPFEDSA-N 1 3 324.513 2.375 20 0 DEADHO CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C(C)(C)C1 ZINC000940738103 648935666 /nfs/dbraw/zinc/93/56/66/648935666.db2.gz WFYILZFLWROASK-JKSUJKDBSA-N 1 3 309.498 2.486 20 0 DEADHO CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C(C)(C)C1 ZINC000940738103 648935667 /nfs/dbraw/zinc/93/56/67/648935667.db2.gz WFYILZFLWROASK-JKSUJKDBSA-N 1 3 309.498 2.486 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CC2)CC1(C)C ZINC000940788965 648941769 /nfs/dbraw/zinc/94/17/69/648941769.db2.gz GHGKKRDOQIIQJU-SJORKVTESA-N 1 3 321.509 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC2)CC1(C)C ZINC000940788965 648941771 /nfs/dbraw/zinc/94/17/71/648941771.db2.gz GHGKKRDOQIIQJU-SJORKVTESA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1C[N@H+](CC2CC2)CC[C@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC000942052086 649143051 /nfs/dbraw/zinc/14/30/51/649143051.db2.gz CDGAIPLZKMDYQZ-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1C[N@@H+](CC2CC2)CC[C@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC000942052086 649143053 /nfs/dbraw/zinc/14/30/53/649143053.db2.gz CDGAIPLZKMDYQZ-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)[C@@H](C)C1 ZINC000942053472 649143856 /nfs/dbraw/zinc/14/38/56/649143856.db2.gz PVNTUYDGIOKTGG-HOTGVXAUSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)[C@@H](C)C1 ZINC000942053472 649143859 /nfs/dbraw/zinc/14/38/59/649143859.db2.gz PVNTUYDGIOKTGG-HOTGVXAUSA-N 1 3 309.498 2.486 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CCC(C)C)C[C@H]1C ZINC000944443116 649526789 /nfs/dbraw/zinc/52/67/89/649526789.db2.gz GQHOIENUOACYEO-HIFRSBDPSA-N 1 3 306.454 2.133 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CCC(C)C)C[C@H]1C ZINC000944443116 649526791 /nfs/dbraw/zinc/52/67/91/649526791.db2.gz GQHOIENUOACYEO-HIFRSBDPSA-N 1 3 306.454 2.133 20 0 DEADHO CC[C@@H](CNC(=O)C[C@@H]([NH3+])C1CC1)N1CCc2ccccc2C1 ZINC000831823281 649647649 /nfs/dbraw/zinc/64/76/49/649647649.db2.gz VMXRFCCMFWJCRM-ZWKOTPCHSA-N 1 3 315.461 2.067 20 0 DEADHO C[C@@H](C(=O)Nc1cccc(OCC[NH3+])c1)N1CCCCCC1 ZINC000832606899 649728322 /nfs/dbraw/zinc/72/83/22/649728322.db2.gz NTTSJMASGLBMHI-AWEZNQCLSA-N 1 3 305.422 2.227 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N[C@H](C)CCCC[NH3+])cc(Cl)n1 ZINC000834786496 649845403 /nfs/dbraw/zinc/84/54/03/649845403.db2.gz PBCPQUWGVLYJSU-ZWNOBZJWSA-N 1 3 312.845 2.067 20 0 DEADHO CC[NH2+]CC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000844176518 651086615 /nfs/dbraw/zinc/08/66/15/651086615.db2.gz QAIPUBGFWIBHHW-KRWDZBQOSA-N 1 3 303.450 2.185 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)N2CCC(CC[NH3+])CC2)cc(Cl)n1 ZINC000846695075 651346517 /nfs/dbraw/zinc/34/65/17/651346517.db2.gz HSBKYYRDDJJJLE-AWEZNQCLSA-N 1 3 324.856 2.021 20 0 DEADHO COC(=O)Cc1ccccc1CNC1CC[NH+](C2CC2)CC1 ZINC000848573157 651473229 /nfs/dbraw/zinc/47/32/29/651473229.db2.gz RNYNPQUSPUEYKP-UHFFFAOYSA-N 1 3 302.418 2.119 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc2ccccc2n1 ZINC000848985152 651571159 /nfs/dbraw/zinc/57/11/59/651571159.db2.gz NXXDYOPUGLSTQI-MRXNPFEDSA-N 1 3 311.433 2.333 20 0 DEADHO CCc1ccc(NC(=[NH2+])NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000848999703 651577105 /nfs/dbraw/zinc/57/71/05/651577105.db2.gz GQSFXAKKGOPVBA-JKSUJKDBSA-N 1 3 302.422 2.048 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)cc1C ZINC000849013316 651582239 /nfs/dbraw/zinc/58/22/39/651582239.db2.gz CURDRAHNEBDUCY-OAHLLOKOSA-N 1 3 304.438 2.102 20 0 DEADHO CN(CCF)C[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001389745537 1155413090 /nfs/dbraw/zinc/41/30/90/1155413090.db2.gz OREUJYJDAMBSIO-MRXNPFEDSA-N 1 3 313.461 2.002 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)cs1 ZINC000855347182 651680225 /nfs/dbraw/zinc/68/02/25/651680225.db2.gz XLBQQGZHSFFHMA-NSHDSACASA-N 1 3 317.886 2.403 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)cs1 ZINC000855347182 651680230 /nfs/dbraw/zinc/68/02/30/651680230.db2.gz XLBQQGZHSFFHMA-NSHDSACASA-N 1 3 317.886 2.403 20 0 DEADHO CCN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000855487540 651708243 /nfs/dbraw/zinc/70/82/43/651708243.db2.gz WUHMVIZWMZKEDE-PBHICJAKSA-N 1 3 313.461 2.142 20 0 DEADHO CCN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)[C@@H]1CC[N@@H+](CC)C1 ZINC000855487540 651708248 /nfs/dbraw/zinc/70/82/48/651708248.db2.gz WUHMVIZWMZKEDE-PBHICJAKSA-N 1 3 313.461 2.142 20 0 DEADHO COc1cncc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000850144747 651841633 /nfs/dbraw/zinc/84/16/33/651841633.db2.gz LMUFDJQVHMJXAQ-HUUCEWRRSA-N 1 3 307.438 2.069 20 0 DEADHO CC1(C)C[C@@H](NCCCS(=O)(=O)c2ccccc2)C[C@@H]([NH3+])C1 ZINC000925490485 651952500 /nfs/dbraw/zinc/95/25/00/651952500.db2.gz HWKCFKJWSVOZSM-CABCVRRESA-N 1 3 324.490 2.346 20 0 DEADHO CC1(C)C[C@@H]([NH2+]CCCS(=O)(=O)c2ccccc2)C[C@@H](N)C1 ZINC000925490485 651952504 /nfs/dbraw/zinc/95/25/04/651952504.db2.gz HWKCFKJWSVOZSM-CABCVRRESA-N 1 3 324.490 2.346 20 0 DEADHO COC[C@H](C)[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856600226 651955713 /nfs/dbraw/zinc/95/57/13/651955713.db2.gz RNIXKSHXUMALGV-MAUKXSAKSA-N 1 3 321.465 2.410 20 0 DEADHO COC[C@H](C)[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856600226 651955716 /nfs/dbraw/zinc/95/57/16/651955716.db2.gz RNIXKSHXUMALGV-MAUKXSAKSA-N 1 3 321.465 2.410 20 0 DEADHO CO[C@H]1CC[C@H]([NH+]2CCC(N3CCN(C(C)C)CC3)CC2)C1 ZINC000851878512 652268168 /nfs/dbraw/zinc/26/81/68/652268168.db2.gz CFVCJJKLQWYFIW-ROUUACIJSA-N 1 3 309.498 2.044 20 0 DEADHO CC1(C)OC[C@@H](C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)O1 ZINC000852000575 652308743 /nfs/dbraw/zinc/30/87/43/652308743.db2.gz XMJOEKDATAHBEE-FGTMMUONSA-N 1 3 316.445 2.202 20 0 DEADHO CC1(C)OC[C@@H](C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)O1 ZINC000852000575 652308745 /nfs/dbraw/zinc/30/87/45/652308745.db2.gz XMJOEKDATAHBEE-FGTMMUONSA-N 1 3 316.445 2.202 20 0 DEADHO CN(C)C[C@H](NC(=O)C=C1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000852885452 652474783 /nfs/dbraw/zinc/47/47/83/652474783.db2.gz QWAFAVHCDIIUOQ-INIZCTEOSA-N 1 3 321.852 2.369 20 0 DEADHO C[NH2+]C[C@@H](C)N[C@H](C)CCCCN1C(=O)c2ccccc2C1=O ZINC000853250041 652529830 /nfs/dbraw/zinc/52/98/30/652529830.db2.gz ZFXZDUYCCYIMFV-ZIAGYGMSSA-N 1 3 317.433 2.039 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC[C@@H](C)F)CC1)N(C)C ZINC001391825574 1156810974 /nfs/dbraw/zinc/81/09/74/1156810974.db2.gz GFXVGHARFMWECM-KLHDSHLOSA-N 1 3 315.477 2.338 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)c2ccc(Nc3ccncc3)cc2)CC[N@@H+]1C ZINC000928441172 693779445 /nfs/dbraw/zinc/77/94/45/693779445.db2.gz DBXOUYWCCCQBMN-DYVFJYSZSA-N 1 3 310.401 2.070 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)c2ccc(Nc3ccncc3)cc2)CC[N@H+]1C ZINC000928441172 693779449 /nfs/dbraw/zinc/77/94/49/693779449.db2.gz DBXOUYWCCCQBMN-DYVFJYSZSA-N 1 3 310.401 2.070 20 0 DEADHO CCc1ccc([C@H](CNC(=O)C2(N(C)C)CCC2)[NH+](C)C)cc1 ZINC000158568684 684300645 /nfs/dbraw/zinc/30/06/45/684300645.db2.gz OLQCWQCIEJTOJJ-KRWDZBQOSA-N 1 3 317.477 2.452 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(F)nc2)[C@H](C)C1 ZINC000189111307 684372224 /nfs/dbraw/zinc/37/22/24/684372224.db2.gz SSHCZWLTGOZKDO-ZBFHGGJFSA-N 1 3 309.429 2.447 20 0 DEADHO CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001054174525 693871620 /nfs/dbraw/zinc/87/16/20/693871620.db2.gz SPEBXMVHFUUWHY-SFHVURJKSA-N 1 3 307.482 2.195 20 0 DEADHO CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001054174525 693871623 /nfs/dbraw/zinc/87/16/23/693871623.db2.gz SPEBXMVHFUUWHY-SFHVURJKSA-N 1 3 307.482 2.195 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](CCCF)C2)C1)N(C)C ZINC001054199165 693878869 /nfs/dbraw/zinc/87/88/69/693878869.db2.gz OOWCQHLSCCQICR-DOTOQJQBSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@]2(CC[N@@H+](CCCF)C2)C1)N(C)C ZINC001054199165 693878873 /nfs/dbraw/zinc/87/88/73/693878873.db2.gz OOWCQHLSCCQICR-DOTOQJQBSA-N 1 3 313.461 2.001 20 0 DEADHO CCCN1Cc2ccc(CNC(=O)C3CC[NH+](C)CC3)cc2C1 ZINC001054279901 693911810 /nfs/dbraw/zinc/91/18/10/693911810.db2.gz QOHDFQOVKOXYEP-UHFFFAOYSA-N 1 3 315.461 2.370 20 0 DEADHO CN1CCC[C@H](C[N@H+](C)C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000929699855 694008059 /nfs/dbraw/zinc/00/80/59/694008059.db2.gz UVGONTFCWPFUPK-QWRGUYRKSA-N 1 3 318.330 2.209 20 0 DEADHO CN1CCC[C@H](C[N@@H+](C)C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000929699855 694008064 /nfs/dbraw/zinc/00/80/64/694008064.db2.gz UVGONTFCWPFUPK-QWRGUYRKSA-N 1 3 318.330 2.209 20 0 DEADHO C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1[NH2+]CC1CCC1 ZINC001054650567 694014908 /nfs/dbraw/zinc/01/49/08/694014908.db2.gz RQQVZCAFEPRDOR-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]Cc1ccccc1 ZINC001054734772 694035724 /nfs/dbraw/zinc/03/57/24/694035724.db2.gz GNFUJEBBGIDWGA-NVXWUHKLSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1NCCF ZINC001054826065 694053999 /nfs/dbraw/zinc/05/39/99/694053999.db2.gz DTHIIJFYZHCWCB-DZGCQCFKSA-N 1 3 313.461 2.045 20 0 DEADHO C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1NCCF ZINC001054826065 694054002 /nfs/dbraw/zinc/05/40/02/694054002.db2.gz DTHIIJFYZHCWCB-DZGCQCFKSA-N 1 3 313.461 2.045 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](c2ccccn2)C(C)C)CC1 ZINC000866232274 687502427 /nfs/dbraw/zinc/50/24/27/687502427.db2.gz JDXALGZYCGBDGJ-FUHWJXTLSA-N 1 3 304.482 2.394 20 0 DEADHO CC(C)(C)[NH+]1CCC(NC[C@@H]2CC3(CO2)CCOCC3)CC1 ZINC000866534266 687604034 /nfs/dbraw/zinc/60/40/34/687604034.db2.gz QLACKIOKBIFNMS-INIZCTEOSA-N 1 3 310.482 2.425 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CC1)CC2 ZINC001016652138 687674436 /nfs/dbraw/zinc/67/44/36/687674436.db2.gz OZBLOQOUPBMNNM-IAGOWNOFSA-N 1 3 319.493 2.242 20 0 DEADHO CCCC[NH+]1CCC2(C[C@H]2NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001016827943 687711822 /nfs/dbraw/zinc/71/18/22/687711822.db2.gz ARCHAHAYJLXNDF-JKSUJKDBSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CC12CC[NH+](CC1CCC1)CC2 ZINC001016830727 687713038 /nfs/dbraw/zinc/71/30/38/687713038.db2.gz UQBZQGVFQCWYNA-DOTOQJQBSA-N 1 3 319.493 2.242 20 0 DEADHO CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001016861054 687720932 /nfs/dbraw/zinc/72/09/32/687720932.db2.gz NNEQLRVSKRKWGL-HOTGVXAUSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001018301916 688104828 /nfs/dbraw/zinc/10/48/28/688104828.db2.gz MNXRPPMKRNAVTK-VQHPVUNQSA-N 1 3 307.482 2.190 20 0 DEADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c(C)s1 ZINC001018617472 688186485 /nfs/dbraw/zinc/18/64/85/688186485.db2.gz WFJOQXQRJRKCDE-HOTGVXAUSA-N 1 3 321.490 2.150 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]CC3CC(C)(C)C3)C2)CCC1 ZINC001018963390 688262666 /nfs/dbraw/zinc/26/26/66/688262666.db2.gz MQABTBVZWWZOAH-HNNXBMFYSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)c1ccccc1 ZINC001018963034 688262735 /nfs/dbraw/zinc/26/27/35/688262735.db2.gz VVHDAMSHHLDSKZ-WBVHZDCISA-N 1 3 315.461 2.422 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2C)C1)N(C)C ZINC001019033311 688273623 /nfs/dbraw/zinc/27/36/23/688273623.db2.gz INACWZMFJYHOGN-DLBZAZTESA-N 1 3 321.440 2.165 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2)C1)N(C)C ZINC001019033652 688274658 /nfs/dbraw/zinc/27/46/58/688274658.db2.gz YGYPCARPTDJUDW-BHYGNILZSA-N 1 3 303.450 2.278 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC[C@H]([NH2+]Cc3ccccc3)C2)C1 ZINC001019386639 688344428 /nfs/dbraw/zinc/34/44/28/688344428.db2.gz SDRQDCFWFVEUJU-KRWDZBQOSA-N 1 3 315.461 2.109 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CCCC2)C1)C1CC1 ZINC001029756142 688573145 /nfs/dbraw/zinc/57/31/45/688573145.db2.gz RJRMTWKEDUDMAY-AEFFLSMTSA-N 1 3 321.509 2.297 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CCCC2)C1)C1CC1 ZINC001029756142 688573148 /nfs/dbraw/zinc/57/31/48/688573148.db2.gz RJRMTWKEDUDMAY-AEFFLSMTSA-N 1 3 321.509 2.297 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)N(C)C)cc1 ZINC000870853875 688667654 /nfs/dbraw/zinc/66/76/54/688667654.db2.gz GETDVZIXAKKUMT-DFEOGRTESA-N 1 3 315.461 2.095 20 0 DEADHO [NH3+][C@H]1CC[C@@H](C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000870889092 688678646 /nfs/dbraw/zinc/67/86/46/688678646.db2.gz VURQECGXVFLZLZ-KSZLIROESA-N 1 3 315.461 2.285 20 0 DEADHO CC(C)n1nccc1NC(=O)[C@H](C)N(C)CCCCCC[NH3+] ZINC000872155308 688940248 /nfs/dbraw/zinc/94/02/48/688940248.db2.gz HMEMGPAVKBMALN-AWEZNQCLSA-N 1 3 309.458 2.242 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCC1C[NH+](CC2CCCC2)C1 ZINC001031665742 688976584 /nfs/dbraw/zinc/97/65/84/688976584.db2.gz GGMUBIFKZPHYBE-QGZVFWFLSA-N 1 3 307.482 2.097 20 0 DEADHO COCCCOC1CCN(Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873206303 689182730 /nfs/dbraw/zinc/18/27/30/689182730.db2.gz ZHKWUCCYXWSHLE-UHFFFAOYSA-N 1 3 324.490 2.411 20 0 DEADHO c1c(C[NH2+]CCCOC[C@@H]2CCCO2)sc2c1CNCC2 ZINC000873212700 689185290 /nfs/dbraw/zinc/18/52/90/689185290.db2.gz PZSRYZYEZXESQA-AWEZNQCLSA-N 1 3 310.463 2.069 20 0 DEADHO Nc1cnc(CN2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)cn1 ZINC000873232192 689190920 /nfs/dbraw/zinc/19/09/20/689190920.db2.gz MSTREHCEWTWNKY-BBRMVZONSA-N 1 3 303.454 2.178 20 0 DEADHO COc1ccc2c(c1)OC[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)C2 ZINC000873245096 689192293 /nfs/dbraw/zinc/19/22/93/689192293.db2.gz PHOSJKMHWSQHIX-LSDHHAIUSA-N 1 3 304.434 2.367 20 0 DEADHO Cc1c([C@@H](C)NC[C@H]2C[C@@H]([NH3+])C2)nnn1-c1ccc(F)cc1 ZINC000873254329 689195553 /nfs/dbraw/zinc/19/55/53/689195553.db2.gz QRRFTQRCOVTDIL-QKCSRTOESA-N 1 3 303.385 2.103 20 0 DEADHO CCc1cccnc1[C@H](C)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290561 689203222 /nfs/dbraw/zinc/20/32/22/689203222.db2.gz ACRSVJAAXJLHEL-GOEBONIOSA-N 1 3 303.450 2.453 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001033069255 689375497 /nfs/dbraw/zinc/37/54/97/689375497.db2.gz HPOSKKXPFGOCGK-IRXDYDNUSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033069255 689375502 /nfs/dbraw/zinc/37/55/02/689375502.db2.gz HPOSKKXPFGOCGK-IRXDYDNUSA-N 1 3 307.482 2.192 20 0 DEADHO CN(C(=O)[C@@H](C1CC1)N1CCCC1)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001033294614 689452158 /nfs/dbraw/zinc/45/21/58/689452158.db2.gz BNXGGIUUESBYFP-QZTJIDSGSA-N 1 3 319.493 2.194 20 0 DEADHO CN(C(=O)[C@@H](C1CC1)N1CCCC1)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033294614 689452160 /nfs/dbraw/zinc/45/21/60/689452160.db2.gz BNXGGIUUESBYFP-QZTJIDSGSA-N 1 3 319.493 2.194 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000874839823 689512069 /nfs/dbraw/zinc/51/20/69/689512069.db2.gz YSYKFOBMORTOJZ-DLBZAZTESA-N 1 3 301.434 2.057 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)c1 ZINC000874839823 689512072 /nfs/dbraw/zinc/51/20/72/689512072.db2.gz YSYKFOBMORTOJZ-DLBZAZTESA-N 1 3 301.434 2.057 20 0 DEADHO C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CCC1(C)C ZINC000875535396 689644643 /nfs/dbraw/zinc/64/46/43/689644643.db2.gz NXRPRWNADJYXOE-INIZCTEOSA-N 1 3 322.497 2.129 20 0 DEADHO C[N@H+]1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CCC1(C)C ZINC000875535396 689644645 /nfs/dbraw/zinc/64/46/45/689644645.db2.gz NXRPRWNADJYXOE-INIZCTEOSA-N 1 3 322.497 2.129 20 0 DEADHO CCN1CCCN(C(=O)NCCC2CC[NH+](C(C)C)CC2)CC1 ZINC000876030813 689742279 /nfs/dbraw/zinc/74/22/79/689742279.db2.gz PAYWUEXYZHZBKD-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO CC[C@@H](CO)[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000931094341 694314622 /nfs/dbraw/zinc/31/46/22/694314622.db2.gz MXXVNCDVZLKZKU-WMZOPIPTSA-N 1 3 321.465 2.146 20 0 DEADHO CC[C@@H](CO)[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000931094341 694314628 /nfs/dbraw/zinc/31/46/28/694314628.db2.gz MXXVNCDVZLKZKU-WMZOPIPTSA-N 1 3 321.465 2.146 20 0 DEADHO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000876709330 689911345 /nfs/dbraw/zinc/91/13/45/689911345.db2.gz PAONYUHVBFOHEB-GVDBMIGSSA-N 1 3 315.461 2.313 20 0 DEADHO CN1CCN(C(=O)/C=C/[C@H]2CCC[NH2+]C2)C2(CCCCC2)C1 ZINC000876778673 689935021 /nfs/dbraw/zinc/93/50/21/689935021.db2.gz LNWJOFKKDDBLPF-KXPUMZMLSA-N 1 3 305.466 2.019 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCc1ccc(C[NH2+]CC)cc1 ZINC001034816497 689953968 /nfs/dbraw/zinc/95/39/68/689953968.db2.gz AFVVCZGHCMOYPJ-QGZVFWFLSA-N 1 3 303.450 2.287 20 0 DEADHO COC(=O)c1cccc2c(C[NH2+]CCCN(C)C)ccnc12 ZINC000876887165 689965173 /nfs/dbraw/zinc/96/51/73/689965173.db2.gz MPIBORRWHZNYHB-UHFFFAOYSA-N 1 3 301.390 2.063 20 0 DEADHO CCN1CC[C@@H](C[NH2+]CC(C)(C)CNC(=O)OC(C)(C)C)C1 ZINC000876942857 689978595 /nfs/dbraw/zinc/97/85/95/689978595.db2.gz HHQNPWLGZXLRGX-AWEZNQCLSA-N 1 3 313.486 2.469 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@H]1CC[NH2+][C@H]1C ZINC000877030554 690001679 /nfs/dbraw/zinc/00/16/79/690001679.db2.gz IIZNBVRJXDGVBO-KJGCVMFHSA-N 1 3 313.445 2.127 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000877030547 690002262 /nfs/dbraw/zinc/00/22/62/690002262.db2.gz IIZNBVRJXDGVBO-CXHZTBPHSA-N 1 3 313.445 2.127 20 0 DEADHO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)[C@H]2CNCc3ccccc32)cc1 ZINC000877138329 690027612 /nfs/dbraw/zinc/02/76/12/690027612.db2.gz UZLCBIGGHCOCJJ-OKZBNKHCSA-N 1 3 307.397 2.327 20 0 DEADHO CC(C)[N@@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@@H](C)C1)CC2 ZINC001035226660 690065969 /nfs/dbraw/zinc/06/59/69/690065969.db2.gz JHOBAVXTNYYSHQ-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[N@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@@H](C)C1)CC2 ZINC001035226660 690065971 /nfs/dbraw/zinc/06/59/71/690065971.db2.gz JHOBAVXTNYYSHQ-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@@H]3CC=CCC3)CC2)CC1 ZINC000931217197 694342569 /nfs/dbraw/zinc/34/25/69/694342569.db2.gz NZLUTNAEPAGPQB-MRXNPFEDSA-N 1 3 319.493 2.408 20 0 DEADHO CCCCCCN(C)CC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877361135 690089233 /nfs/dbraw/zinc/08/92/33/690089233.db2.gz QKCWCAWOCYFEIG-STQMWFEESA-N 1 3 323.403 2.094 20 0 DEADHO Clc1ccc(CNCC2CC[NH+](C3CCOCC3)CC2)nn1 ZINC000877620319 690169949 /nfs/dbraw/zinc/16/99/49/690169949.db2.gz GLCSSOHJPUOKOH-UHFFFAOYSA-N 1 3 324.856 2.111 20 0 DEADHO CC(C)=CCN1CC2(C1)CCN(C(=O)C[N@H+]1CCC[C@H]1C)CC2 ZINC001035797207 690178798 /nfs/dbraw/zinc/17/87/98/690178798.db2.gz FJONIJRUFCYYNA-QGZVFWFLSA-N 1 3 319.493 2.361 20 0 DEADHO CC(C)=CCN1CC2(C1)CCN(C(=O)C[N@@H+]1CCC[C@H]1C)CC2 ZINC001035797207 690178801 /nfs/dbraw/zinc/17/88/01/690178801.db2.gz FJONIJRUFCYYNA-QGZVFWFLSA-N 1 3 319.493 2.361 20 0 DEADHO COCCN(Cc1cc(OC)cc(C)n1)CC1CC[NH+](C)CC1 ZINC000877663887 690182917 /nfs/dbraw/zinc/18/29/17/690182917.db2.gz CKXBXJXSXGMQHO-UHFFFAOYSA-N 1 3 321.465 2.189 20 0 DEADHO CC(C)C[NH+]1CC2(C1)CCN(C(=O)CN1CCC(C)CC1)CC2 ZINC001035821257 690185132 /nfs/dbraw/zinc/18/51/32/690185132.db2.gz VUYBKERGLZMDPF-UHFFFAOYSA-N 1 3 321.509 2.299 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC2(C[NH+](C(C)C)C2)CC1 ZINC001035858614 690194985 /nfs/dbraw/zinc/19/49/85/690194985.db2.gz WTGWVNPVTAHWJD-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO CC[C@@H](C)N(CC(=O)NC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000877939340 690265698 /nfs/dbraw/zinc/26/56/98/690265698.db2.gz VUYPIHUNCPHACX-MRXNPFEDSA-N 1 3 317.477 2.498 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CC3CCC3)[C@@H](C)C2)CC1 ZINC001036223136 690295205 /nfs/dbraw/zinc/29/52/05/690295205.db2.gz FFPIDMVRLMPWJT-FUHWJXTLSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@@H]1[NH2+]CCF ZINC001036302619 690315716 /nfs/dbraw/zinc/31/57/16/690315716.db2.gz JSZYKPPSFKOORI-YOEHRIQHSA-N 1 3 321.440 2.158 20 0 DEADHO C[C@@H]([NH2+]CC1CC1)[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001036462530 690355302 /nfs/dbraw/zinc/35/53/02/690355302.db2.gz WKLTZYUYFNBUMM-SJLPKXTDSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1CCCCN1C(=O)CN1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248163 690602574 /nfs/dbraw/zinc/60/25/74/690602574.db2.gz JBNFRFGLRRHIFH-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO CC[NH+](CC)CCCN1CCN[C@@H](c2ccc(OC)cc2)C1 ZINC000879524410 690661953 /nfs/dbraw/zinc/66/19/53/690661953.db2.gz WNFDBBOZVJUUIQ-GOSISDBHSA-N 1 3 305.466 2.373 20 0 DEADHO CCc1ccccc1CN1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001038096007 690701561 /nfs/dbraw/zinc/70/15/61/690701561.db2.gz OYPNUDQWPKGLAH-MSOLQXFVSA-N 1 3 315.461 2.034 20 0 DEADHO CCc1ccccc1CN1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001038096007 690701565 /nfs/dbraw/zinc/70/15/65/690701565.db2.gz OYPNUDQWPKGLAH-MSOLQXFVSA-N 1 3 315.461 2.034 20 0 DEADHO Cc1ccccc1C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCCN1C ZINC001038406193 690809137 /nfs/dbraw/zinc/80/91/37/690809137.db2.gz BHUPQVMCBHRKHU-ZWKOTPCHSA-N 1 3 315.461 2.170 20 0 DEADHO Cc1ccccc1C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCCN1C ZINC001038406193 690809141 /nfs/dbraw/zinc/80/91/41/690809141.db2.gz BHUPQVMCBHRKHU-ZWKOTPCHSA-N 1 3 315.461 2.170 20 0 DEADHO CC1(C)CC(CN2CC[C@H]2CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001038457156 690828901 /nfs/dbraw/zinc/82/89/01/690828901.db2.gz ZDAHJKMBDJBUQR-INIZCTEOSA-N 1 3 319.493 2.242 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCN2CCC2CC2)CC1 ZINC001038863933 690948510 /nfs/dbraw/zinc/94/85/10/690948510.db2.gz OMLLICGIUIDBPO-KRWDZBQOSA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CC[N@@H+]1CC1CCC1 ZINC001039051038 691004252 /nfs/dbraw/zinc/00/42/52/691004252.db2.gz RSKGNTOYICYBFT-QGZVFWFLSA-N 1 3 315.461 2.352 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CC[N@H+]1CC1CCC1 ZINC001039051038 691004253 /nfs/dbraw/zinc/00/42/53/691004253.db2.gz RSKGNTOYICYBFT-QGZVFWFLSA-N 1 3 315.461 2.352 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001039112357 691022755 /nfs/dbraw/zinc/02/27/55/691022755.db2.gz FFGHHZRHNMETJL-DLBZAZTESA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001039112357 691022757 /nfs/dbraw/zinc/02/27/57/691022757.db2.gz FFGHHZRHNMETJL-DLBZAZTESA-N 1 3 307.482 2.050 20 0 DEADHO CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039165693 691037547 /nfs/dbraw/zinc/03/75/47/691037547.db2.gz RHOYHPYTVUKPEO-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039165693 691037548 /nfs/dbraw/zinc/03/75/48/691037548.db2.gz RHOYHPYTVUKPEO-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039237494 691063886 /nfs/dbraw/zinc/06/38/86/691063886.db2.gz INUBNLVBKKAMAK-GDBMZVCRSA-N 1 3 304.438 2.065 20 0 DEADHO CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039237494 691063890 /nfs/dbraw/zinc/06/38/90/691063890.db2.gz INUBNLVBKKAMAK-GDBMZVCRSA-N 1 3 304.438 2.065 20 0 DEADHO CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN(C)C1CCC1 ZINC001039289380 691075811 /nfs/dbraw/zinc/07/58/11/691075811.db2.gz SOZDYUMLNQEYQT-ZXFUBFMLSA-N 1 3 307.482 2.381 20 0 DEADHO CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)N(C)C ZINC001039431482 691104732 /nfs/dbraw/zinc/10/47/32/691104732.db2.gz DSTVBSKNOGTLQS-IXDOHACOSA-N 1 3 309.498 2.438 20 0 DEADHO CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)N(C)C ZINC001039431482 691104734 /nfs/dbraw/zinc/10/47/34/691104734.db2.gz DSTVBSKNOGTLQS-IXDOHACOSA-N 1 3 309.498 2.438 20 0 DEADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CC2)C1 ZINC001039974065 691171656 /nfs/dbraw/zinc/17/16/56/691171656.db2.gz KYKXNCJRWGLAFI-OKZBNKHCSA-N 1 3 319.493 2.194 20 0 DEADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CC2)C1 ZINC001039974065 691171658 /nfs/dbraw/zinc/17/16/58/691171658.db2.gz KYKXNCJRWGLAFI-OKZBNKHCSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC001040109114 691198095 /nfs/dbraw/zinc/19/80/95/691198095.db2.gz OYXNAYPGVXOKEJ-IEBWSBKVSA-N 1 3 319.493 2.361 20 0 DEADHO CC(C)=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC001040109114 691198098 /nfs/dbraw/zinc/19/80/98/691198098.db2.gz OYXNAYPGVXOKEJ-IEBWSBKVSA-N 1 3 319.493 2.361 20 0 DEADHO CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040393063 691240978 /nfs/dbraw/zinc/24/09/78/691240978.db2.gz YCSMAKKUPKTCRN-IBGZPJMESA-N 1 3 321.509 2.443 20 0 DEADHO CCC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040393063 691240981 /nfs/dbraw/zinc/24/09/81/691240981.db2.gz YCSMAKKUPKTCRN-IBGZPJMESA-N 1 3 321.509 2.443 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CC)C2 ZINC001040545425 691264315 /nfs/dbraw/zinc/26/43/15/691264315.db2.gz PUGPZODBJBEPBF-SJLPKXTDSA-N 1 3 307.482 2.195 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC)C2 ZINC001040545425 691264316 /nfs/dbraw/zinc/26/43/16/691264316.db2.gz PUGPZODBJBEPBF-SJLPKXTDSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC3(C2)CC[NH+](CC2CC2)CC3)C1 ZINC001040849346 691292697 /nfs/dbraw/zinc/29/26/97/691292697.db2.gz QMZNXIMDGZKZNA-MRXNPFEDSA-N 1 3 319.493 2.053 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CCC3CC3)C2)C1)N(C)C ZINC001041644720 691404966 /nfs/dbraw/zinc/40/49/66/691404966.db2.gz GKVAWFPLBPKSLI-IEBWSBKVSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1)N(C)C ZINC001041644720 691404969 /nfs/dbraw/zinc/40/49/69/691404969.db2.gz GKVAWFPLBPKSLI-IEBWSBKVSA-N 1 3 321.509 2.297 20 0 DEADHO C[NH+](C)CCOc1ccc(CN[C@@H]2CCCC23OCCO3)cc1 ZINC000883180014 691450599 /nfs/dbraw/zinc/45/05/99/691450599.db2.gz QDJUEWYRDIPWFM-QGZVFWFLSA-N 1 3 320.433 2.012 20 0 DEADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H](N)CC3CC3)C2)CC1 ZINC000884204987 691682461 /nfs/dbraw/zinc/68/24/61/691682461.db2.gz JODJAVMTSJNSPZ-DLBZAZTESA-N 1 3 307.482 2.084 20 0 DEADHO CC1(C)[C@H](NC(=O)c2cccc(CN3CCCC3)c2)C[C@@H]1[NH3+] ZINC000884357239 691718207 /nfs/dbraw/zinc/71/82/07/691718207.db2.gz USVFZUCUXYRCHI-JKSUJKDBSA-N 1 3 301.434 2.138 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884358363 691718448 /nfs/dbraw/zinc/71/84/48/691718448.db2.gz PQRKASRPEGXAJA-GJZGRUSLSA-N 1 3 315.417 2.350 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]Cc2ccsc2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044756925 691882530 /nfs/dbraw/zinc/88/25/30/691882530.db2.gz RUYYTFMSFSPQCJ-JSGCOSHPSA-N 1 3 318.446 2.183 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CCCC1)C1CC1 ZINC001045067222 691934823 /nfs/dbraw/zinc/93/48/23/691934823.db2.gz ISMROSUZCRZHJC-DLBZAZTESA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1)N(C)C ZINC001045089107 691936545 /nfs/dbraw/zinc/93/65/45/691936545.db2.gz AQCNIIHWIFHSDY-DLBZAZTESA-N 1 3 303.450 2.107 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(C)c1)N(C)C ZINC001045089932 691936896 /nfs/dbraw/zinc/93/68/96/691936896.db2.gz QYBHGQDGLCZOCQ-ZWKOTPCHSA-N 1 3 317.477 2.416 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001045089898 691936928 /nfs/dbraw/zinc/93/69/28/691936928.db2.gz PKIAFKQABYGDIY-ZWKOTPCHSA-N 1 3 317.477 2.416 20 0 DEADHO O=C(CN1CCCC1)N1CCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001045311385 691961557 /nfs/dbraw/zinc/96/15/57/691961557.db2.gz KISATEVNWJGJKU-KRWDZBQOSA-N 1 3 319.493 2.243 20 0 DEADHO C([NH2+][C@@H]1CCOC2(CCOCC2)C1)[C@@H]1CCCN(CC2CC2)C1 ZINC000886167029 692016996 /nfs/dbraw/zinc/01/69/96/692016996.db2.gz YJHRYIONLFOTST-ZWKOTPCHSA-N 1 3 322.493 2.426 20 0 DEADHO COC(=O)c1cncc([C@@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000886501392 692094658 /nfs/dbraw/zinc/09/46/58/692094658.db2.gz ITCCNRMVGJTYAX-OLZOCXBDSA-N 1 3 303.406 2.003 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001046316743 692150463 /nfs/dbraw/zinc/15/04/63/692150463.db2.gz QOVAVOANWVNWPT-AEFFLSMTSA-N 1 3 307.482 2.406 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001046316743 692150466 /nfs/dbraw/zinc/15/04/66/692150466.db2.gz QOVAVOANWVNWPT-AEFFLSMTSA-N 1 3 307.482 2.406 20 0 DEADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(CCSC(F)(F)F)CC1 ZINC000886839275 692206500 /nfs/dbraw/zinc/20/65/00/692206500.db2.gz ALNUEVSZCOCEDR-RYUDHWBXSA-N 1 3 312.401 2.458 20 0 DEADHO CC(C)=CCN1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001046568911 692227109 /nfs/dbraw/zinc/22/71/09/692227109.db2.gz DBEWCUGQOZAIBC-BQFCYCMXSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)=CCN1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001046568911 692227113 /nfs/dbraw/zinc/22/71/13/692227113.db2.gz DBEWCUGQOZAIBC-BQFCYCMXSA-N 1 3 307.482 2.264 20 0 DEADHO CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001048607137 692658126 /nfs/dbraw/zinc/65/81/26/692658126.db2.gz NWBVEXDFWHQJLH-BRWVUGGUSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2C1)N(C)C ZINC001049067309 692754673 /nfs/dbraw/zinc/75/46/73/692754673.db2.gz VKRHQDOSSUHAGH-KSZLIROESA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC3CCCCC3)C[C@@H]2C1)N(C)C ZINC001049067309 692754677 /nfs/dbraw/zinc/75/46/77/692754677.db2.gz VKRHQDOSSUHAGH-KSZLIROESA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001049097718 692764222 /nfs/dbraw/zinc/76/42/22/692764222.db2.gz PUAYBRAMAOLATD-KSZLIROESA-N 1 3 321.509 2.296 20 0 DEADHO CC(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001049097718 692764224 /nfs/dbraw/zinc/76/42/24/692764224.db2.gz PUAYBRAMAOLATD-KSZLIROESA-N 1 3 321.509 2.296 20 0 DEADHO C[NH+]1CCC(CN2CC(c3nc(-c4ccccc4)no3)C2)CC1 ZINC000897319203 693019698 /nfs/dbraw/zinc/01/96/98/693019698.db2.gz DOAYXUNJKSGXDQ-UHFFFAOYSA-N 1 3 312.417 2.478 20 0 DEADHO CC[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cccc(OC)n1 ZINC000924662128 693167898 /nfs/dbraw/zinc/16/78/98/693167898.db2.gz PTAMPDVXLCUIOD-MRXNPFEDSA-N 1 3 320.481 2.159 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccn(-c2ccccc2)n1 ZINC000924891488 693197769 /nfs/dbraw/zinc/19/77/69/693197769.db2.gz WLVKFDXWGSDCTQ-MCPYQZEQSA-N 1 3 310.445 2.345 20 0 DEADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCCc1ccn(-c2ccccc2)n1 ZINC000924891488 693197771 /nfs/dbraw/zinc/19/77/71/693197771.db2.gz WLVKFDXWGSDCTQ-MCPYQZEQSA-N 1 3 310.445 2.345 20 0 DEADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCCc1ccn(-c2ccccc2)n1 ZINC000924891488 693197773 /nfs/dbraw/zinc/19/77/73/693197773.db2.gz WLVKFDXWGSDCTQ-MCPYQZEQSA-N 1 3 310.445 2.345 20 0 DEADHO CC(C)CC[NH+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)CC1 ZINC001050545000 693204699 /nfs/dbraw/zinc/20/46/99/693204699.db2.gz VVWSQKYCIAXYTH-KRWDZBQOSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[C@H](C(=O)N1CC2(C1)CC[NH+](CC1CCC1)CC2)N(C)C ZINC001050652501 693224265 /nfs/dbraw/zinc/22/42/65/693224265.db2.gz URFCFCMOXCLVAN-QGZVFWFLSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[NH+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001050661085 693226674 /nfs/dbraw/zinc/22/66/74/693226674.db2.gz OPJYVVJMPKLYDS-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)=CC[NH+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001050662187 693226950 /nfs/dbraw/zinc/22/69/50/693226950.db2.gz FYIOBIPCNDMVAJ-KRWDZBQOSA-N 1 3 319.493 2.219 20 0 DEADHO CC(C)C[NH+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001050663379 693227341 /nfs/dbraw/zinc/22/73/41/693227341.db2.gz SHTSQIKUDZHJRU-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001050663386 693227724 /nfs/dbraw/zinc/22/77/24/693227724.db2.gz SLJOVJLVXPEASW-IAGOWNOFSA-N 1 3 321.509 2.441 20 0 DEADHO CC1CCN([C@H](CN[C@H]2C[NH2+]CCOC2)c2ccccc2)CC1 ZINC000925491064 693281166 /nfs/dbraw/zinc/28/11/66/693281166.db2.gz DACWOIPBKNZIBR-RBUKOAKNSA-N 1 3 317.477 2.038 20 0 DEADHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCCc2nnc3n2CCCCC3)C1 ZINC000925533894 693290775 /nfs/dbraw/zinc/29/07/75/693290775.db2.gz PVAHFZMISNKCQP-UONOGXRCSA-N 1 3 305.470 2.043 20 0 DEADHO [NH3+]CCC[C@H](NCc1ccc(-n2cncn2)nc1)c1ccccc1 ZINC000925551213 693294592 /nfs/dbraw/zinc/29/45/92/693294592.db2.gz AUIJKEPBVMTNDL-KRWDZBQOSA-N 1 3 322.416 2.232 20 0 DEADHO NC(=O)c1cccc(CC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)c1 ZINC000925592829 693304912 /nfs/dbraw/zinc/30/49/12/693304912.db2.gz JDMNPHYDOUJFQN-MSOLQXFVSA-N 1 3 315.461 2.086 20 0 DEADHO COc1cc(CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)ccc1OCCO ZINC000925612940 693308572 /nfs/dbraw/zinc/30/85/72/693308572.db2.gz OMBKXGHOEOBRCU-CABCVRRESA-N 1 3 322.449 2.062 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1([C@H](O)c2ccccc2)CC1 ZINC000925612812 693308694 /nfs/dbraw/zinc/30/86/94/693308694.db2.gz VOSVXPATUSNKNZ-UJJTZGENSA-N 1 3 300.446 2.430 20 0 DEADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCC1([C@H](O)c2ccccc2)CC1 ZINC000925612812 693308697 /nfs/dbraw/zinc/30/86/97/693308697.db2.gz VOSVXPATUSNKNZ-UJJTZGENSA-N 1 3 300.446 2.430 20 0 DEADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCC1([C@H](O)c2ccccc2)CC1 ZINC000925612812 693308702 /nfs/dbraw/zinc/30/87/02/693308702.db2.gz VOSVXPATUSNKNZ-UJJTZGENSA-N 1 3 300.446 2.430 20 0 DEADHO Cn1cncc1[C@@H]1C[C@@H]([NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CCO1 ZINC000925652160 693317347 /nfs/dbraw/zinc/31/73/47/693317347.db2.gz CZCCAPHRDGFUFK-QMPXSYISSA-N 1 3 318.465 2.006 20 0 DEADHO Cn1cncc1[C@@H]1C[C@@H](N[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCO1 ZINC000925652160 693317351 /nfs/dbraw/zinc/31/73/51/693317351.db2.gz CZCCAPHRDGFUFK-QMPXSYISSA-N 1 3 318.465 2.006 20 0 DEADHO COC(=O)N1CCC(C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925670130 693322221 /nfs/dbraw/zinc/32/22/21/693322221.db2.gz HBWYNZMMWHKMPF-SJORKVTESA-N 1 3 323.481 2.223 20 0 DEADHO Cn1nccc1[C@@H]1C[C@@H]([NH2+][C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CCO1 ZINC000925689971 693325292 /nfs/dbraw/zinc/32/52/92/693325292.db2.gz IYDWELIJLZKLRX-KUHBDSFDSA-N 1 3 318.465 2.006 20 0 DEADHO Cn1nccc1[C@@H]1C[C@@H](N[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCO1 ZINC000925689971 693325295 /nfs/dbraw/zinc/32/52/95/693325295.db2.gz IYDWELIJLZKLRX-KUHBDSFDSA-N 1 3 318.465 2.006 20 0 DEADHO CN1CC[C@H]([N@@H+]2CCOc3ccc(N)cc3C2)[C@@H]2CCC[C@H]21 ZINC000925754901 693336158 /nfs/dbraw/zinc/33/61/58/693336158.db2.gz RQZXHATXAAFBCP-ZACQAIPSSA-N 1 3 301.434 2.336 20 0 DEADHO CN1CC[C@H]([N@H+]2CCOc3ccc(N)cc3C2)[C@@H]2CCC[C@H]21 ZINC000925754901 693336163 /nfs/dbraw/zinc/33/61/63/693336163.db2.gz RQZXHATXAAFBCP-ZACQAIPSSA-N 1 3 301.434 2.336 20 0 DEADHO C[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1cccc(-n2ccnn2)c1 ZINC000925775351 693340219 /nfs/dbraw/zinc/34/02/19/693340219.db2.gz FYYHRMMCWQWYNE-OCCSQVGLSA-N 1 3 321.375 2.163 20 0 DEADHO C[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(-n2cncn2)cc1 ZINC000925779436 693340565 /nfs/dbraw/zinc/34/05/65/693340565.db2.gz NLRQQJUGNBWRGC-JSGCOSHPSA-N 1 3 321.375 2.163 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000926144570 693404298 /nfs/dbraw/zinc/40/42/98/693404298.db2.gz FMCYXWUKLSYKAX-JZWPEALZSA-N 1 3 323.481 2.173 20 0 DEADHO C[C@@H](NCCOCC[NH+](C)C)c1cccc(Br)n1 ZINC000926256355 693425169 /nfs/dbraw/zinc/42/51/69/693425169.db2.gz WMAJLQRLDQNHCR-LLVKDONJSA-N 1 3 316.243 2.073 20 0 DEADHO C[C@H]([NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1)c1cnnn1C ZINC000926353624 693435911 /nfs/dbraw/zinc/43/59/11/693435911.db2.gz KONGFJKEAUTWRF-YJBOKZPZSA-N 1 3 313.449 2.378 20 0 DEADHO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]C[C@H]2CCCCN(C)C2)cn1 ZINC000926752528 693503923 /nfs/dbraw/zinc/50/39/23/693503923.db2.gz AINHTAPLENRGBR-KBAYOESNSA-N 1 3 304.482 2.453 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCCF)CC1 ZINC001052428976 693532951 /nfs/dbraw/zinc/53/29/51/693532951.db2.gz KUZHOYDQMXVBBF-JKSUJKDBSA-N 1 3 313.461 2.191 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCCF)CC1 ZINC001052428976 693532956 /nfs/dbraw/zinc/53/29/56/693532956.db2.gz KUZHOYDQMXVBBF-JKSUJKDBSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@]1(C)CCC[N@H+](CC2CC2)C1 ZINC001402214251 1162291864 /nfs/dbraw/zinc/29/18/64/1162291864.db2.gz RNBXEMHMRARLIT-IEBWSBKVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](CC2CC2)C1 ZINC001402214251 1162291868 /nfs/dbraw/zinc/29/18/68/1162291868.db2.gz RNBXEMHMRARLIT-IEBWSBKVSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](CC[NH2+]C[C@H](O)c1ccccc1Br)N(C)C ZINC001335422333 1150412476 /nfs/dbraw/zinc/41/24/76/1150412476.db2.gz QORZPUHRYSHCBO-FZMZJTMJSA-N 1 3 315.255 2.412 20 0 DEADHO COc1cnc(F)c(CN2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1 ZINC001343335241 1150735834 /nfs/dbraw/zinc/73/58/34/1150735834.db2.gz WICPDQZXOHWSRB-GZBFAFLISA-N 1 3 307.413 2.391 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001402781866 1162470538 /nfs/dbraw/zinc/47/05/38/1162470538.db2.gz NQGITYXNPFDVES-CZUORRHYSA-N 1 3 318.465 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001402781866 1162470541 /nfs/dbraw/zinc/47/05/41/1162470541.db2.gz NQGITYXNPFDVES-CZUORRHYSA-N 1 3 318.465 2.277 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCCN(C/C=C/Cl)C1 ZINC001402783536 1162471187 /nfs/dbraw/zinc/47/11/87/1162471187.db2.gz PFQNADOJJJCRBF-VOTDVEDPSA-N 1 3 315.889 2.297 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCCN(C/C=C/Cl)C1 ZINC001402783536 1162471191 /nfs/dbraw/zinc/47/11/91/1162471191.db2.gz PFQNADOJJJCRBF-VOTDVEDPSA-N 1 3 315.889 2.297 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]CC1CCC1)C(C)(C)C)N(C)C ZINC001380084766 1152747995 /nfs/dbraw/zinc/74/79/95/1152747995.db2.gz FWAQGNSCHSHZNN-HOTGVXAUSA-N 1 3 311.514 2.493 20 0 DEADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]Cc2ccccc2F)C1 ZINC001380176983 1152762687 /nfs/dbraw/zinc/76/26/87/1152762687.db2.gz OVUFTSVGEIZZFA-UHFFFAOYSA-N 1 3 321.440 2.247 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@H+](C[C@H](F)CC)C2)C1 ZINC001380208645 1152768511 /nfs/dbraw/zinc/76/85/11/1152768511.db2.gz YPEFDHYQJFEYCI-WBVHZDCISA-N 1 3 313.461 2.001 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@@H+](C[C@H](F)CC)C2)C1 ZINC001380208645 1152768512 /nfs/dbraw/zinc/76/85/12/1152768512.db2.gz YPEFDHYQJFEYCI-WBVHZDCISA-N 1 3 313.461 2.001 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH+]1CCC(C)CC1 ZINC001361981136 1152792836 /nfs/dbraw/zinc/79/28/36/1152792836.db2.gz VGZZLFAXPCUAPN-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCC1 ZINC001361992645 1152796015 /nfs/dbraw/zinc/79/60/15/1152796015.db2.gz DOWYQABJDVQEEH-AWEZNQCLSA-N 1 3 307.482 2.097 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@@H+](C(C)C)C1 ZINC001380475242 1152818931 /nfs/dbraw/zinc/81/89/31/1152818931.db2.gz XZBAORKQEGPTQG-WMZOPIPTSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@H+](C(C)C)C1 ZINC001380475242 1152818932 /nfs/dbraw/zinc/81/89/32/1152818932.db2.gz XZBAORKQEGPTQG-WMZOPIPTSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@@H+]1CCc2c(CNC(=O)CN(C)C3CCC3)cccc2C1 ZINC001380821613 1152860846 /nfs/dbraw/zinc/86/08/46/1152860846.db2.gz DQTZHJLKHUVQMT-UHFFFAOYSA-N 1 3 315.461 2.165 20 0 DEADHO CC[N@H+]1CCc2c(CNC(=O)CN(C)C3CCC3)cccc2C1 ZINC001380821613 1152860848 /nfs/dbraw/zinc/86/08/48/1152860848.db2.gz DQTZHJLKHUVQMT-UHFFFAOYSA-N 1 3 315.461 2.165 20 0 DEADHO C[C@H](CC[NH+](C)C)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001362261383 1152863543 /nfs/dbraw/zinc/86/35/43/1152863543.db2.gz QQABEZXFBJOHKN-AEFFLSMTSA-N 1 3 317.477 2.307 20 0 DEADHO CC[C@@H](F)C[NH2+]C1(CNC(=O)CN(C)CC(C)(C)C)CCC1 ZINC001380882407 1152872586 /nfs/dbraw/zinc/87/25/86/1152872586.db2.gz SJUVRQCRIJTAMC-CQSZACIVSA-N 1 3 315.477 2.341 20 0 DEADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCCN(C)Cc2ccsc2)C1 ZINC001380961610 1152886367 /nfs/dbraw/zinc/88/63/67/1152886367.db2.gz ANWQRNWCORZHHO-OAHLLOKOSA-N 1 3 323.506 2.370 20 0 DEADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)Cc2ccsc2)C1 ZINC001380961610 1152886370 /nfs/dbraw/zinc/88/63/70/1152886370.db2.gz ANWQRNWCORZHHO-OAHLLOKOSA-N 1 3 323.506 2.370 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCc2cccs2)C1 ZINC001381105816 1152910237 /nfs/dbraw/zinc/91/02/37/1152910237.db2.gz FMJUOSVZMCXMHW-GOEBONIOSA-N 1 3 323.506 2.067 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)CCC1CC1 ZINC001381590418 1153143397 /nfs/dbraw/zinc/14/33/97/1153143397.db2.gz PKRDNLKXSJASED-DOTOQJQBSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H](CC[NH+](C)C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC001362968175 1153164428 /nfs/dbraw/zinc/16/44/28/1153164428.db2.gz DLVJCLDLMSMRGY-RYRKJORJSA-N 1 3 317.477 2.353 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCNC(=O)C2CC2)CC1 ZINC001363200126 1153264582 /nfs/dbraw/zinc/26/45/82/1153264582.db2.gz UJZFWOLHCGBXBX-MRXNPFEDSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCNC(=O)C2CC2)CC1 ZINC001363200126 1153264585 /nfs/dbraw/zinc/26/45/85/1153264585.db2.gz UJZFWOLHCGBXBX-MRXNPFEDSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]CC1CCC2(CC2)CC1)N(C)C ZINC001402928033 1162546418 /nfs/dbraw/zinc/54/64/18/1162546418.db2.gz XJSPMYPZDFFUTE-GOEBONIOSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1cccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN(C)C(C)C)C2)c1 ZINC001382018001 1153319675 /nfs/dbraw/zinc/31/96/75/1153319675.db2.gz VSVSNKUBTCYJQN-IYARVYRRSA-N 1 3 317.477 2.320 20 0 DEADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]Cc1cccc(F)c1 ZINC001382095729 1153355197 /nfs/dbraw/zinc/35/51/97/1153355197.db2.gz VOPGXBIFYXYOIY-CQSZACIVSA-N 1 3 321.440 2.247 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CCc1ccccc1)N(C)C ZINC001382164212 1153385098 /nfs/dbraw/zinc/38/50/98/1153385098.db2.gz YJNMSNZMWYDPFJ-SJLPKXTDSA-N 1 3 319.493 2.252 20 0 DEADHO C[C@@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)[C@H]1CCCOC1 ZINC001363427897 1153396161 /nfs/dbraw/zinc/39/61/61/1153396161.db2.gz LQYSGWWGPJGYBI-VEZWFGLTSA-N 1 3 310.482 2.425 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(F)c2)[C@H]1C ZINC001382313500 1153421146 /nfs/dbraw/zinc/42/11/46/1153421146.db2.gz UCRHYKZXZMPSFW-RHSMWYFYSA-N 1 3 321.440 2.245 20 0 DEADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCCN(C(=O)OC(C)(C)C)C3)[C@@H]2C1 ZINC001363675290 1153548374 /nfs/dbraw/zinc/54/83/74/1153548374.db2.gz DTHSELNFFJGFHG-JJXSEGSLSA-N 1 3 323.481 2.316 20 0 DEADHO CC(C)C[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)CC1 ZINC001363906723 1153712385 /nfs/dbraw/zinc/71/23/85/1153712385.db2.gz RSCCIPGPDFNDSV-SJORKVTESA-N 1 3 307.482 2.050 20 0 DEADHO C[C@@H](F)CC[NH2+]CC(C)(C)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001570682837 1155004579 /nfs/dbraw/zinc/00/45/79/1155004579.db2.gz FMTVEMSJQWKVDV-HUUCEWRRSA-N 1 3 315.477 2.151 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H](C[N@H+](C)C/C=C\Cl)C1)N(C)C ZINC001389767331 1155421115 /nfs/dbraw/zinc/42/11/15/1155421115.db2.gz VUSAAWBMFXBSLQ-UEDYQVLESA-N 1 3 315.889 2.250 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@H](C[N@@H+](C)C/C=C\Cl)C1)N(C)C ZINC001389767331 1155421117 /nfs/dbraw/zinc/42/11/17/1155421117.db2.gz VUSAAWBMFXBSLQ-UEDYQVLESA-N 1 3 315.889 2.250 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCc3ccccc32)C1)N(C)C ZINC001389904035 1155467731 /nfs/dbraw/zinc/46/77/31/1155467731.db2.gz ZSRJICSEKNRGAJ-UOVPBQLFSA-N 1 3 315.461 2.251 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1cc(C)sc1C)N(C)C ZINC001390508746 1155775252 /nfs/dbraw/zinc/77/52/52/1155775252.db2.gz MJFMCQOPOMMZIU-ABAIWWIYSA-N 1 3 311.495 2.299 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CCc1ccccc1F)N(C)C ZINC001390510609 1155776848 /nfs/dbraw/zinc/77/68/48/1155776848.db2.gz RDLIDTYNCIMVCN-PBHICJAKSA-N 1 3 323.456 2.049 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001371199767 1155780110 /nfs/dbraw/zinc/78/01/10/1155780110.db2.gz IQIAMVOZGGANFL-STQMWFEESA-N 1 3 317.424 2.000 20 0 DEADHO Cc1cc(F)ccc1C[NH2+][C@@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001371366503 1155834825 /nfs/dbraw/zinc/83/48/25/1155834825.db2.gz WGZXALNNTVWIKL-HIFRSBDPSA-N 1 3 321.440 2.070 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001371424533 1155850124 /nfs/dbraw/zinc/85/01/24/1155850124.db2.gz IKENUZOOKSYMIY-OAHLLOKOSA-N 1 3 309.498 2.393 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](C)[C@@H]1CCc2ccccc21)N(C)C ZINC001390847300 1155890412 /nfs/dbraw/zinc/89/04/12/1155890412.db2.gz NAMBFGUGVVAJHE-DLBZAZTESA-N 1 3 303.450 2.062 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](C)[C@@H]1CCc2ccccc21)N(C)C ZINC001390847300 1155890414 /nfs/dbraw/zinc/89/04/14/1155890414.db2.gz NAMBFGUGVVAJHE-DLBZAZTESA-N 1 3 303.450 2.062 20 0 DEADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccccc1C)N(C)C ZINC001371826531 1156033591 /nfs/dbraw/zinc/03/35/91/1156033591.db2.gz GRYMSWREQIQUCQ-WBVHZDCISA-N 1 3 305.466 2.320 20 0 DEADHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccsc1 ZINC001371836407 1156037549 /nfs/dbraw/zinc/03/75/49/1156037549.db2.gz NKONBBUIUJSGHV-ZIAGYGMSSA-N 1 3 309.479 2.074 20 0 DEADHO CCN(CCNC(=O)CC[NH+](C)C)[C@@H](C)c1ccc(F)cc1 ZINC001372411802 1156395615 /nfs/dbraw/zinc/39/56/15/1156395615.db2.gz QWROECFGHYOHEQ-AWEZNQCLSA-N 1 3 309.429 2.277 20 0 DEADHO CN(C)C1(C(=O)NCC2C[NH+](CCC3CCCCC3)C2)CCC1 ZINC001391490931 1156459243 /nfs/dbraw/zinc/45/92/43/1156459243.db2.gz LIRIJPQZJPMOAM-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)[C@H](C(=O)NCC1C[NH+](CC2CCCCC2)C1)N(C)C ZINC001391497854 1156467131 /nfs/dbraw/zinc/46/71/31/1156467131.db2.gz UJXSAGODMOUPPS-QGZVFWFLSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CCCN1CCCF)[NH+]1CCCC1 ZINC001372575291 1156559521 /nfs/dbraw/zinc/55/95/21/1156559521.db2.gz LYEVRIOQLSBNBV-CVEARBPZSA-N 1 3 313.461 2.047 20 0 DEADHO CCN(C(=O)CCC[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001391648667 1156642400 /nfs/dbraw/zinc/64/24/00/1156642400.db2.gz MBKOAOKRHRWEPF-GOSISDBHSA-N 1 3 317.477 2.451 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H](C)[N@H+](C)CC1CC(F)(F)C1)N(C)C ZINC001403171515 1162805602 /nfs/dbraw/zinc/80/56/02/1162805602.db2.gz RJNXEJYMHZFAAR-GXTWGEPZSA-N 1 3 319.440 2.054 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H](C)[N@@H+](C)CC1CC(F)(F)C1)N(C)C ZINC001403171515 1162805603 /nfs/dbraw/zinc/80/56/03/1162805603.db2.gz RJNXEJYMHZFAAR-GXTWGEPZSA-N 1 3 319.440 2.054 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCC3)CC2)CCC1 ZINC001391817249 1156808983 /nfs/dbraw/zinc/80/89/83/1156808983.db2.gz AKHBKKIKLOTGSO-WKILWMFISA-N 1 3 307.482 2.288 20 0 DEADHO CN(C)C1(C(=O)N(C)CC[NH2+][C@@H]2CCc3ccccc32)CCC1 ZINC001372935407 1156824615 /nfs/dbraw/zinc/82/46/15/1156824615.db2.gz CXFQDSSIPYKMLF-QGZVFWFLSA-N 1 3 315.461 2.206 20 0 DEADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)c1ccccc1C)N(C)C ZINC001372941947 1156825661 /nfs/dbraw/zinc/82/56/61/1156825661.db2.gz DPDHGBKONWSJCD-RDJZCZTQSA-N 1 3 305.466 2.444 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001391946289 1156839418 /nfs/dbraw/zinc/83/94/18/1156839418.db2.gz AJSDWQQMMOBIJA-DYVFJYSZSA-N 1 3 323.456 2.316 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([C@H](C)[NH2+]CC[C@H](C)F)CC1 ZINC001373027363 1156840672 /nfs/dbraw/zinc/84/06/72/1156840672.db2.gz FWDIWRYUZYSIEX-GJZGRUSLSA-N 1 3 315.477 2.291 20 0 DEADHO CC(C)C[NH2+][C@@H](CNC(=O)CN1CC[C@@H](C)C1)c1ccccc1 ZINC001373031545 1156842277 /nfs/dbraw/zinc/84/22/77/1156842277.db2.gz HAVZCAXWFJPQHA-AEFFLSMTSA-N 1 3 317.477 2.431 20 0 DEADHO C[C@H](C[NH2+]Cc1ccc(CF)cc1)N(C)C(=O)[C@H]1CCCN1C ZINC001392051426 1156857792 /nfs/dbraw/zinc/85/77/92/1156857792.db2.gz REJZQMHOERYMKY-RHSMWYFYSA-N 1 3 321.440 2.187 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC2CCC2)C1 ZINC001392187548 1156884983 /nfs/dbraw/zinc/88/49/83/1156884983.db2.gz IDBMXDVTAIKDGV-WBVHZDCISA-N 1 3 309.498 2.345 20 0 DEADHO CN(CCF)C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001373312677 1156967514 /nfs/dbraw/zinc/96/75/14/1156967514.db2.gz MIZMCIQKXYQYHN-INIZCTEOSA-N 1 3 321.440 2.112 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2cc(C)cc(C)c2)C1 ZINC001373608507 1157149922 /nfs/dbraw/zinc/14/99/22/1157149922.db2.gz MMQQQJFYUASEDM-SFHVURJKSA-N 1 3 317.477 2.336 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2cc(C)cc(C)c2)C1 ZINC001373608507 1157149938 /nfs/dbraw/zinc/14/99/38/1157149938.db2.gz MMQQQJFYUASEDM-SFHVURJKSA-N 1 3 317.477 2.336 20 0 DEADHO C[C@@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)CN1CC[C@@H](C)C1 ZINC001392592975 1157182741 /nfs/dbraw/zinc/18/27/41/1157182741.db2.gz PULJGQLPQVPVME-CABCVRRESA-N 1 3 307.482 2.003 20 0 DEADHO C[C@H](CN(C)Cc1cccc(F)c1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001392690621 1157340417 /nfs/dbraw/zinc/34/04/17/1157340417.db2.gz HEBINZXCHPVUJE-CQSZACIVSA-N 1 3 321.440 2.104 20 0 DEADHO CC[NH2+]Cc1ccc(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)cc1 ZINC001373933933 1157476891 /nfs/dbraw/zinc/47/68/91/1157476891.db2.gz NIBRZGBJIBFCGQ-GJZGRUSLSA-N 1 3 303.450 2.285 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1(NCc2ccsc2)CC1 ZINC001392899810 1157529569 /nfs/dbraw/zinc/52/95/69/1157529569.db2.gz ZCOHKUHCMASJBB-HNNXBMFYSA-N 1 3 321.490 2.359 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1(NCc2ccsc2)CC1 ZINC001392899810 1157529573 /nfs/dbraw/zinc/52/95/73/1157529573.db2.gz ZCOHKUHCMASJBB-HNNXBMFYSA-N 1 3 321.490 2.359 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+]Cc2ccsc2)C1 ZINC001393157892 1157728461 /nfs/dbraw/zinc/72/84/61/1157728461.db2.gz GHDOHFJDSGGFLO-QGZVFWFLSA-N 1 3 323.506 2.418 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](C[NH2+]C[C@H](C)CC(C)C)C1 ZINC001403455944 1162888475 /nfs/dbraw/zinc/88/84/75/1162888475.db2.gz GXVNBBILVFHOAQ-FVQBIDKESA-N 1 3 320.481 2.427 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001403464435 1162890893 /nfs/dbraw/zinc/89/08/93/1162890893.db2.gz UQYNYVIABLFTAO-VQHPVUNQSA-N 1 3 309.498 2.391 20 0 DEADHO CN(CCC[N@H+](C)Cc1ccc(F)cc1)C(=O)[C@H]1CCCN1C ZINC001393612556 1157881701 /nfs/dbraw/zinc/88/17/01/1157881701.db2.gz GAJVGBKNHILLHC-QGZVFWFLSA-N 1 3 321.440 2.200 20 0 DEADHO CN(CCC[N@@H+](C)Cc1ccc(F)cc1)C(=O)[C@H]1CCCN1C ZINC001393612556 1157881702 /nfs/dbraw/zinc/88/17/02/1157881702.db2.gz GAJVGBKNHILLHC-QGZVFWFLSA-N 1 3 321.440 2.200 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)CCN1Cc1cccc(F)c1 ZINC001393787790 1157980806 /nfs/dbraw/zinc/98/08/06/1157980806.db2.gz SBKUQGVPFOPUDT-YOEHRIQHSA-N 1 3 321.440 2.247 20 0 DEADHO Cc1cc(C)cc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001374811422 1158037935 /nfs/dbraw/zinc/03/79/35/1158037935.db2.gz PQSKLVYEMFTEJB-SJLPKXTDSA-N 1 3 319.493 2.484 20 0 DEADHO C[C@@H](CNCc1ccccc1Cl)NC(=O)CCC[NH+](C)C ZINC001374927399 1158095630 /nfs/dbraw/zinc/09/56/30/1158095630.db2.gz VUYRLSYZCPWSOA-ZDUSSCGKSA-N 1 3 311.857 2.276 20 0 DEADHO Cc1ccc(F)c(CNC[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001374927353 1158096224 /nfs/dbraw/zinc/09/62/24/1158096224.db2.gz UMFASNRWIPDOQW-AWEZNQCLSA-N 1 3 321.440 2.070 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CCc1ccccc1F ZINC001394004254 1158153759 /nfs/dbraw/zinc/15/37/59/1158153759.db2.gz PLEYKPWMZPONRI-HUUCEWRRSA-N 1 3 323.456 2.191 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C)nc1C ZINC001394008015 1158156608 /nfs/dbraw/zinc/15/66/08/1158156608.db2.gz XJCUTSRSQWYYGB-GJZGRUSLSA-N 1 3 320.481 2.023 20 0 DEADHO CC1CC(C[NH2+]C[C@H](C2CC2)N(C)C(=O)C2(N(C)C)CCC2)C1 ZINC001403517584 1162925260 /nfs/dbraw/zinc/92/52/60/1162925260.db2.gz SIPGXJSSQAXIQU-VMBOVVBDSA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(CF)cc1)N(C)C ZINC001394104834 1158290335 /nfs/dbraw/zinc/29/03/35/1158290335.db2.gz BVBVGGFBAVUXHA-PBHICJAKSA-N 1 3 323.456 2.433 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(CF)cc1)N(C)C ZINC001394104834 1158290350 /nfs/dbraw/zinc/29/03/50/1158290350.db2.gz BVBVGGFBAVUXHA-PBHICJAKSA-N 1 3 323.456 2.433 20 0 DEADHO C[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)[N@H+](C)CCC1CC1 ZINC001394115565 1158306987 /nfs/dbraw/zinc/30/69/87/1158306987.db2.gz XIQDUZNTNVRIGC-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)[N@@H+](C)CCC1CC1 ZINC001394115565 1158306999 /nfs/dbraw/zinc/30/69/99/1158306999.db2.gz XIQDUZNTNVRIGC-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN(C)Cc1ccc(C)c(F)c1 ZINC001375129678 1158337890 /nfs/dbraw/zinc/33/78/90/1158337890.db2.gz SHGOVWCJVLKYSJ-HNNXBMFYSA-N 1 3 323.456 2.412 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN(C)Cc1ccc(C)c(F)c1 ZINC001375129678 1158337898 /nfs/dbraw/zinc/33/78/98/1158337898.db2.gz SHGOVWCJVLKYSJ-HNNXBMFYSA-N 1 3 323.456 2.412 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)C1C[NH+](CC2CCCCC2)C1 ZINC001394233821 1158387385 /nfs/dbraw/zinc/38/73/85/1158387385.db2.gz ZKKAOKSAOVPPCG-OAHLLOKOSA-N 1 3 321.509 2.488 20 0 DEADHO CC[NH2+][C@H](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001394412090 1158497414 /nfs/dbraw/zinc/49/74/14/1158497414.db2.gz UXHPCCVPYWEFPU-PBHICJAKSA-N 1 3 315.477 2.339 20 0 DEADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]Cc1ccccc1 ZINC001394495129 1158586206 /nfs/dbraw/zinc/58/62/06/1158586206.db2.gz JBNGYXORSCDWEW-HNNXBMFYSA-N 1 3 303.450 2.107 20 0 DEADHO C[NH+](C)CCC(=O)NCC1(NCc2ccc(Cl)s2)CC1 ZINC001375465778 1158723089 /nfs/dbraw/zinc/72/30/89/1158723089.db2.gz MOYCJZDZWYRYIZ-UHFFFAOYSA-N 1 3 315.870 2.092 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCC2(NC[C@@H](F)CC)CC2)C1 ZINC001375481427 1158746300 /nfs/dbraw/zinc/74/63/00/1158746300.db2.gz UMHYCIVRJXMQOA-CABCVRRESA-N 1 3 313.461 2.095 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C(=O)NCC2(NC[C@@H](F)CC)CC2)C1 ZINC001375481427 1158746310 /nfs/dbraw/zinc/74/63/10/1158746310.db2.gz UMHYCIVRJXMQOA-CABCVRRESA-N 1 3 313.461 2.095 20 0 DEADHO COC(=O)c1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)cc1C ZINC001414118761 1158781684 /nfs/dbraw/zinc/78/16/84/1158781684.db2.gz LHSWAAKGTFBZFY-USXIJHARSA-N 1 3 302.418 2.211 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)C1)N(C)C ZINC001375512217 1158790385 /nfs/dbraw/zinc/79/03/85/1158790385.db2.gz NMQIXHIWTKLJFX-OWCLPIDISA-N 1 3 311.514 2.493 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC001375517341 1158796389 /nfs/dbraw/zinc/79/63/89/1158796389.db2.gz DVKPEQBDUMTDLI-BMFZPTHFSA-N 1 3 320.481 2.427 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@H]1CC[N@H+](CC2CC2)C1 ZINC001375573036 1158817505 /nfs/dbraw/zinc/81/75/05/1158817505.db2.gz LPQSPNFKFQEIKV-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001375573036 1158817506 /nfs/dbraw/zinc/81/75/06/1158817506.db2.gz LPQSPNFKFQEIKV-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CCC1)C2 ZINC001375616087 1158830307 /nfs/dbraw/zinc/83/03/07/1158830307.db2.gz CFTRJEOHTFLSGM-LJQANCHMSA-N 1 3 321.509 2.443 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC001375616087 1158830310 /nfs/dbraw/zinc/83/03/10/1158830310.db2.gz CFTRJEOHTFLSGM-LJQANCHMSA-N 1 3 321.509 2.443 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1cccc(C)c1)C1CC1)N(C)C ZINC001376262398 1159299968 /nfs/dbraw/zinc/29/99/68/1159299968.db2.gz OVCUSSHVHDMDPA-ROUUACIJSA-N 1 3 317.477 2.320 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H](NC/C=C/Cl)C1)[NH+]1CCCC1 ZINC001376353220 1159355404 /nfs/dbraw/zinc/35/54/04/1159355404.db2.gz PWHKHCIGVCSJTI-SJKUQHEZSA-N 1 3 313.873 2.050 20 0 DEADHO CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@H](CC)N(C)C ZINC001376569210 1159550803 /nfs/dbraw/zinc/55/08/03/1159550803.db2.gz CXBCMCYYRFHBSN-KRWDZBQOSA-N 1 3 305.466 2.485 20 0 DEADHO CCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](CC)N(C)C ZINC001376569210 1159550807 /nfs/dbraw/zinc/55/08/07/1159550807.db2.gz CXBCMCYYRFHBSN-KRWDZBQOSA-N 1 3 305.466 2.485 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001376632327 1159619556 /nfs/dbraw/zinc/61/95/56/1159619556.db2.gz UTQRSRUYRYJLEZ-CVEARBPZSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001376632327 1159619578 /nfs/dbraw/zinc/61/95/78/1159619578.db2.gz UTQRSRUYRYJLEZ-CVEARBPZSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccsc1)N(C)C ZINC001403642982 1163069275 /nfs/dbraw/zinc/06/92/75/1163069275.db2.gz URNIMORCDYENTB-DZGCQCFKSA-N 1 3 311.495 2.271 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]C/C(Cl)=C/Cl)C1)N(C)C ZINC001376955082 1159855352 /nfs/dbraw/zinc/85/53/52/1159855352.db2.gz VFXDAERMPYNQJD-RACGTCIUSA-N 1 3 322.280 2.084 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccns1 ZINC001377100153 1159899279 /nfs/dbraw/zinc/89/92/79/1159899279.db2.gz CPDAEZWLAHHWIF-ZFWWWQNUSA-N 1 3 324.494 2.002 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[N@H+](C)CCCc2ccsc2)C1 ZINC001403679927 1163086443 /nfs/dbraw/zinc/08/64/43/1163086443.db2.gz AWHJUKYOQICALE-HNNXBMFYSA-N 1 3 323.506 2.071 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[N@@H+](C)CCCc2ccsc2)C1 ZINC001403679927 1163086451 /nfs/dbraw/zinc/08/64/51/1163086451.db2.gz AWHJUKYOQICALE-HNNXBMFYSA-N 1 3 323.506 2.071 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CC[N@H+](CCCC2CCC2)C1)N(C)C ZINC001377468371 1160396682 /nfs/dbraw/zinc/39/66/82/1160396682.db2.gz MCWBGWNANRJNMS-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CC[N@@H+](CCCC2CCC2)C1)N(C)C ZINC001377468371 1160396688 /nfs/dbraw/zinc/39/66/88/1160396688.db2.gz MCWBGWNANRJNMS-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1C[C@@H](NCc2ccccc2F)CN1C(=O)CCC[NH+](C)C ZINC001403738846 1163125418 /nfs/dbraw/zinc/12/54/18/1163125418.db2.gz JDPQUIOEEVORIY-GDBMZVCRSA-N 1 3 321.440 2.247 20 0 DEADHO CC[C@H](C(=O)NCC[C@@H]1CC[N@H+](CCC(F)(F)F)C1)N(C)C ZINC001377714752 1160775970 /nfs/dbraw/zinc/77/59/70/1160775970.db2.gz CWVQARPMELJPGD-CHWSQXEVSA-N 1 3 323.403 2.107 20 0 DEADHO CC[C@H](C(=O)NCC[C@@H]1CC[N@@H+](CCC(F)(F)F)C1)N(C)C ZINC001377714752 1160775984 /nfs/dbraw/zinc/77/59/84/1160775984.db2.gz CWVQARPMELJPGD-CHWSQXEVSA-N 1 3 323.403 2.107 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001377726576 1160792936 /nfs/dbraw/zinc/79/29/36/1160792936.db2.gz OWWJKKGOVVYPOU-OAHLLOKOSA-N 1 3 323.506 2.417 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001377726576 1160792956 /nfs/dbraw/zinc/79/29/56/1160792956.db2.gz OWWJKKGOVVYPOU-OAHLLOKOSA-N 1 3 323.506 2.417 20 0 DEADHO CC[C@H](C(=O)N1CCC(C[N@@H+](C)C[C@@H](F)CC)CC1)N(C)C ZINC001377778911 1160819473 /nfs/dbraw/zinc/81/94/73/1160819473.db2.gz CBYAWGQENBEWOS-JKSUJKDBSA-N 1 3 315.477 2.245 20 0 DEADHO CCCN(C)CC(=O)N1CCC(C[N@H+](C)CC[C@H](C)F)CC1 ZINC001377787553 1160824729 /nfs/dbraw/zinc/82/47/29/1160824729.db2.gz GNGFPCFSKPWFBX-HNNXBMFYSA-N 1 3 315.477 2.247 20 0 DEADHO CCCN(C(=O)Cc1c[nH]cn1)C1CC[NH+](CC(C)C)CC1 ZINC001398370527 1160867860 /nfs/dbraw/zinc/86/78/60/1160867860.db2.gz SQAYBAIZFDNAJR-UHFFFAOYSA-N 1 3 306.454 2.311 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001398460505 1160897529 /nfs/dbraw/zinc/89/75/29/1160897529.db2.gz FEIBNXDYHUGKKG-KRWDZBQOSA-N 1 3 309.498 2.299 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001398460505 1160897531 /nfs/dbraw/zinc/89/75/31/1160897531.db2.gz FEIBNXDYHUGKKG-KRWDZBQOSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1)N(C)C ZINC001378110070 1161025324 /nfs/dbraw/zinc/02/53/24/1161025324.db2.gz BSQGALVJXMGUIC-CVEARBPZSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1)N(C)C ZINC001378110070 1161025332 /nfs/dbraw/zinc/02/53/32/1161025332.db2.gz BSQGALVJXMGUIC-CVEARBPZSA-N 1 3 309.498 2.199 20 0 DEADHO CCc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN(C)C(C)C)C2)cc1 ZINC001398671716 1161048022 /nfs/dbraw/zinc/04/80/22/1161048022.db2.gz YVQMERNLZZSBDW-HDICACEKSA-N 1 3 317.477 2.326 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CNC(=O)C2(N(C)C)CCC2)cc1C ZINC001398936481 1161158085 /nfs/dbraw/zinc/15/80/85/1161158085.db2.gz BGJXUSXABHQQOE-INIZCTEOSA-N 1 3 317.477 2.382 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@H](C)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001399438037 1161395767 /nfs/dbraw/zinc/39/57/67/1161395767.db2.gz WWBIDOZFSXVNSW-KBPBESRZSA-N 1 3 319.440 2.246 20 0 DEADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)[C@@H](C)c1cccc(F)c1 ZINC001399831556 1161582930 /nfs/dbraw/zinc/58/29/30/1161582930.db2.gz VFLQPZOGEHIDFT-HOCLYGCPSA-N 1 3 321.440 2.277 20 0 DEADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@@H](C)c1cccc(F)c1 ZINC001399831556 1161582937 /nfs/dbraw/zinc/58/29/37/1161582937.db2.gz VFLQPZOGEHIDFT-HOCLYGCPSA-N 1 3 321.440 2.277 20 0 DEADHO CC[N@@H+]1CC[C@H](CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001400202965 1161685569 /nfs/dbraw/zinc/68/55/69/1161685569.db2.gz UAUPGFYGGPUCLR-HNNXBMFYSA-N 1 3 303.450 2.210 20 0 DEADHO CC[N@H+]1CC[C@H](CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001400202965 1161685573 /nfs/dbraw/zinc/68/55/73/1161685573.db2.gz UAUPGFYGGPUCLR-HNNXBMFYSA-N 1 3 303.450 2.210 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+]Cc1ccccc1 ZINC001401126130 1161878512 /nfs/dbraw/zinc/87/85/12/1161878512.db2.gz VQGQQJFIWHFQDO-INIZCTEOSA-N 1 3 317.477 2.403 20 0 DEADHO Cc1cccc(C[NH2+]C[C@@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001401628581 1162051685 /nfs/dbraw/zinc/05/16/85/1162051685.db2.gz YAAODKJBOQXEBU-OAHLLOKOSA-N 1 3 303.450 2.074 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001401629031 1162051823 /nfs/dbraw/zinc/05/18/23/1162051823.db2.gz UMCZMIXVGDUQRG-HZPDHXFCSA-N 1 3 323.506 2.464 20 0 DEADHO C[NH+](C)CC1(C(=O)NC[C@@H]2CCN2CCCC2CCCC2)CC1 ZINC001401901279 1162172665 /nfs/dbraw/zinc/17/26/65/1162172665.db2.gz VKNROLRAFXEYOF-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO O=C(CC[NH+]1CCCCC1)NCC1(NCc2ccsc2)CC1 ZINC001401984373 1162207096 /nfs/dbraw/zinc/20/70/96/1162207096.db2.gz HLKUIFCJLHLAJG-UHFFFAOYSA-N 1 3 321.490 2.363 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CCC2CCCC2)C1)N(C)C ZINC001402174902 1162274758 /nfs/dbraw/zinc/27/47/58/1162274758.db2.gz CWBNRMQRONBLNW-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCC2CCCC2)C1)N(C)C ZINC001402174902 1162274760 /nfs/dbraw/zinc/27/47/60/1162274760.db2.gz CWBNRMQRONBLNW-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](NC/C=C/Cl)C(C)(C)C1 ZINC001403829005 1163236357 /nfs/dbraw/zinc/23/63/57/1163236357.db2.gz QCALQQRDLJOAMP-IZPAUZPXSA-N 1 3 315.889 2.297 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC/C=C/Cl)C(C)(C)C1 ZINC001403829005 1163236363 /nfs/dbraw/zinc/23/63/63/1163236363.db2.gz QCALQQRDLJOAMP-IZPAUZPXSA-N 1 3 315.889 2.297 20 0 DEADHO CN(CC(=O)N1CC[C@H](C[N@H+](C)C/C=C/Cl)C1)C1CCC1 ZINC001404581329 1163722094 /nfs/dbraw/zinc/72/20/94/1163722094.db2.gz SVANZHKTNORQCN-YOIVXCQUSA-N 1 3 313.873 2.004 20 0 DEADHO CN(CC(=O)N1CC[C@H](C[N@@H+](C)C/C=C/Cl)C1)C1CCC1 ZINC001404581329 1163722100 /nfs/dbraw/zinc/72/21/00/1163722100.db2.gz SVANZHKTNORQCN-YOIVXCQUSA-N 1 3 313.873 2.004 20 0 DEADHO CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1cccnc1 ZINC001405296034 1164044174 /nfs/dbraw/zinc/04/41/74/1164044174.db2.gz CDLHULFUBNQLKD-INIZCTEOSA-N 1 3 320.481 2.044 20 0 DEADHO CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]C/C=C/Cl ZINC001405311242 1164047472 /nfs/dbraw/zinc/04/74/72/1164047472.db2.gz VNELLUSXZWKRCD-GWJCSSMESA-N 1 3 303.878 2.201 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(F)c1)N(C)C ZINC001405678410 1164182256 /nfs/dbraw/zinc/18/22/56/1164182256.db2.gz ZACIORLDUXZWRT-YOEHRIQHSA-N 1 3 323.456 2.254 20 0 DEADHO Cc1ccc(C)c(C[NH2+]C[C@@H](C)N(C)C(=O)CN2CCCC2)c1 ZINC001405894211 1164317861 /nfs/dbraw/zinc/31/78/61/1164317861.db2.gz QIQPTBNNVKVULU-QGZVFWFLSA-N 1 3 317.477 2.336 20 0 DEADHO CCN(CC[NH2+][C@@H](C)c1ccccc1)C(=O)[C@H]1CCCN1C ZINC001406321135 1164530667 /nfs/dbraw/zinc/53/06/67/1164530667.db2.gz YUILSPZWONYVFF-DOTOQJQBSA-N 1 3 303.450 2.280 20 0 DEADHO CCc1ccc(C[NH2+]C[C@@H](C)NC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001406404595 1164571895 /nfs/dbraw/zinc/57/18/95/1164571895.db2.gz ZZXLKOBGQQQYOJ-HZPDHXFCSA-N 1 3 317.477 2.185 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC1CC(C)(C)C1 ZINC001406430491 1164596114 /nfs/dbraw/zinc/59/61/14/1164596114.db2.gz KZXXTOSBVLUIEY-GDBMZVCRSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1ccc(F)c(CNC[C@H](C)NC(=O)CCC[NH+](C)C)c1 ZINC001406525182 1164656368 /nfs/dbraw/zinc/65/63/68/1164656368.db2.gz YLAYRZCNXRMNBR-AWEZNQCLSA-N 1 3 309.429 2.070 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccccc1F)C1CC1)N(C)C ZINC001406775309 1164824912 /nfs/dbraw/zinc/82/49/12/1164824912.db2.gz BXVNRTUIZSFOLU-DLBZAZTESA-N 1 3 321.440 2.150 20 0 DEADHO CC1CC(C[NH2+]C[C@H](NC(=O)CN(C)CC(C)(C)C)C2CC2)C1 ZINC001406792328 1164830792 /nfs/dbraw/zinc/83/07/92/1164830792.db2.gz LJESSLDYEXJHHC-DQPZFDDXSA-N 1 3 323.525 2.495 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1cccc(C)c1)C1CC1)N(C)C ZINC001406796555 1164831990 /nfs/dbraw/zinc/83/19/90/1164831990.db2.gz PQFUKPRJAYUODP-MSOLQXFVSA-N 1 3 317.477 2.320 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2csc(C)c2)CC1)N(C)C ZINC001406986558 1164906513 /nfs/dbraw/zinc/90/65/13/1164906513.db2.gz KYIRTEJTHWZULE-AWEZNQCLSA-N 1 3 309.479 2.135 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CC2CC2)CC1 ZINC001407251539 1165066861 /nfs/dbraw/zinc/06/68/61/1165066861.db2.gz CBMWGRGDYRWDPL-KRWDZBQOSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](F)CC[NH2+]C1(CNC(=O)C(C)(C)N2CCCC2)CCC1 ZINC001407793969 1165313900 /nfs/dbraw/zinc/31/39/00/1165313900.db2.gz WLAWZKRXKBJSCI-AWEZNQCLSA-N 1 3 313.461 2.237 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001417795106 1167218667 /nfs/dbraw/zinc/21/86/67/1167218667.db2.gz FAPNPUJCPMXJQQ-CTYIDZIISA-N 1 3 323.868 2.276 20 0 DEADHO C[C@@H](F)CC[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001417841040 1167248970 /nfs/dbraw/zinc/24/89/70/1167248970.db2.gz QCCGXCCDILHEMX-ZIAGYGMSSA-N 1 3 310.417 2.061 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2Cl)C1 ZINC001418078718 1167398487 /nfs/dbraw/zinc/39/84/87/1167398487.db2.gz ZDTLTUFCXLOCLY-SHTZXODSSA-N 1 3 323.868 2.417 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@H](C)c1ccccc1C ZINC001418298803 1167559052 /nfs/dbraw/zinc/55/90/52/1167559052.db2.gz LPKRWSXDVTVCKK-JKSUJKDBSA-N 1 3 305.466 2.492 20 0 DEADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001418428044 1167647873 /nfs/dbraw/zinc/64/78/73/1167647873.db2.gz UFRRVRYQNXIQDP-CJNGLKHVSA-N 1 3 309.429 2.150 20 0 DEADHO CC(C)C[NH2+][C@@H](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001418840168 1168001057 /nfs/dbraw/zinc/00/10/57/1168001057.db2.gz ASLDTEVKGDDOBS-HNNXBMFYSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](F)CCN1CC(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001419036553 1168149647 /nfs/dbraw/zinc/14/96/47/1168149647.db2.gz BFPCHYCTHRZBCQ-OAHLLOKOSA-N 1 3 313.461 2.049 20 0 DEADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001419274756 1168366627 /nfs/dbraw/zinc/36/66/27/1168366627.db2.gz RGCMMISGLZZGGH-KGLIPLIRSA-N 1 3 319.440 2.246 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[N@H+](C)CCC2CC2)C1 ZINC001419336271 1168409563 /nfs/dbraw/zinc/40/95/63/1168409563.db2.gz MJEUJDMOCKGMMW-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[N@@H+](C)CCC2CC2)C1 ZINC001419336271 1168409569 /nfs/dbraw/zinc/40/95/69/1168409569.db2.gz MJEUJDMOCKGMMW-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H]([NH2+]C/C=C/Cl)CC1 ZINC001419377994 1168431560 /nfs/dbraw/zinc/43/15/60/1168431560.db2.gz PMNJVJNLQSCSGO-BJEGFEFTSA-N 1 3 310.829 2.030 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC2CC[NH+](CCC3CC3)CC2)C1 ZINC001419401702 1168447327 /nfs/dbraw/zinc/44/73/27/1168447327.db2.gz ZWRXUVPWPCRWQS-INIZCTEOSA-N 1 3 321.509 2.347 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC001419521227 1168570461 /nfs/dbraw/zinc/57/04/61/1168570461.db2.gz TUFQACCSTJOUHX-SOLBZPMBSA-N 1 3 315.461 2.251 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C ZINC001419771920 1168839948 /nfs/dbraw/zinc/83/99/48/1168839948.db2.gz LBBVMAFYOIBELW-SUMWQHHRSA-N 1 3 316.449 2.102 20 0 DEADHO CC(C)[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccccc1 ZINC001419880178 1168888779 /nfs/dbraw/zinc/88/87/79/1168888779.db2.gz RHZLXWICCVBOKM-GOSISDBHSA-N 1 3 317.477 2.401 20 0 DEADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccccc1 ZINC001420092244 1169157579 /nfs/dbraw/zinc/15/75/79/1169157579.db2.gz HIXLZABZPPBZTG-OAHLLOKOSA-N 1 3 303.450 2.155 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CCNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001420132687 1169184669 /nfs/dbraw/zinc/18/46/69/1169184669.db2.gz RGLWWOANFYCOMC-DLBZAZTESA-N 1 3 317.477 2.321 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]Cc1cc2ccccc2o1 ZINC001420374651 1169429338 /nfs/dbraw/zinc/42/93/38/1169429338.db2.gz BTVZFWSCZZKPPF-CQSZACIVSA-N 1 3 317.433 2.367 20 0 DEADHO CCC[N@@H+]1CC[C@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001420544385 1169758616 /nfs/dbraw/zinc/75/86/16/1169758616.db2.gz MTPSIJXHXQCMJX-RHSMWYFYSA-N 1 3 313.461 2.047 20 0 DEADHO CCC[N@H+]1CC[C@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001420544385 1169758642 /nfs/dbraw/zinc/75/86/42/1169758642.db2.gz MTPSIJXHXQCMJX-RHSMWYFYSA-N 1 3 313.461 2.047 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CC1CCCC1 ZINC001420681122 1169865767 /nfs/dbraw/zinc/86/57/67/1169865767.db2.gz SMOBBMACMSAUIH-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC1CCCC1 ZINC001420681122 1169865768 /nfs/dbraw/zinc/86/57/68/1169865768.db2.gz SMOBBMACMSAUIH-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO C[NH+](C)CC1(C(=O)NC[C@H]2CCN2CCC2CCCC2)CC1 ZINC001420872380 1171306760 /nfs/dbraw/zinc/30/67/60/1171306760.db2.gz VPVHRARNNIXWFA-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CC1 ZINC001420991222 1171408187 /nfs/dbraw/zinc/40/81/87/1171408187.db2.gz AGROPJCNPUTWBR-HNNXBMFYSA-N 1 3 303.450 2.328 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]C[C@@H]2CCC(F)(F)C2)CC1)N(C)C ZINC001420994365 1171412137 /nfs/dbraw/zinc/41/21/37/1171412137.db2.gz IOXFETLHKTWHQC-OLZOCXBDSA-N 1 3 317.424 2.000 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC2([NH2+]CC3CC3)CC2)c1 ZINC001421005604 1171422655 /nfs/dbraw/zinc/42/26/55/1171422655.db2.gz NKSZVMYJVAXIHA-UHFFFAOYSA-N 1 3 301.434 2.010 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C/C=C\Cl)C2 ZINC001421512996 1171828156 /nfs/dbraw/zinc/82/81/56/1171828156.db2.gz DSQISMSXCHFLOK-SKRFXGAOSA-N 1 3 313.873 2.050 20 0 DEADHO C[C@H](CNC(=O)[C@H](C)N1CCCCCC1)C[NH2+]CC1CCC1 ZINC001421734475 1171944755 /nfs/dbraw/zinc/94/47/55/1171944755.db2.gz CWRBFUZJGQKNCH-HOTGVXAUSA-N 1 3 309.498 2.393 20 0 DEADHO CC[C@@H](F)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001421944541 1172167138 /nfs/dbraw/zinc/16/71/38/1172167138.db2.gz WJISWOYAAQKDGE-CABCVRRESA-N 1 3 313.461 2.190 20 0 DEADHO CC[C@H](C)C[NH2+]C1(C)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001422039004 1172247992 /nfs/dbraw/zinc/24/79/92/1172247992.db2.gz COOBKQAOYSMBBT-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CCCF ZINC001422242181 1172430266 /nfs/dbraw/zinc/43/02/66/1172430266.db2.gz HENGSJCIBPPWJM-HOTGVXAUSA-N 1 3 313.461 2.143 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CCCF ZINC001422242181 1172430272 /nfs/dbraw/zinc/43/02/72/1172430272.db2.gz HENGSJCIBPPWJM-HOTGVXAUSA-N 1 3 313.461 2.143 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)NC(=O)CN(C)C2CCC2)cc1C ZINC001422660391 1172796698 /nfs/dbraw/zinc/79/66/98/1172796698.db2.gz LTGARZPTONCMEP-INIZCTEOSA-N 1 3 317.477 2.382 20 0 DEADHO C[C@@H]([NH2+]C[C@H](C)NC(=O)CN(C)C1CCC1)c1cccc(F)c1 ZINC001422660540 1172796870 /nfs/dbraw/zinc/79/68/70/1172796870.db2.gz NBCKOIBQJSLSIM-UONOGXRCSA-N 1 3 321.440 2.465 20 0 DEADHO C[C@@H]([NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1)c1cccc(F)c1 ZINC001422660437 1172797157 /nfs/dbraw/zinc/79/71/57/1172797157.db2.gz MEOMJHYBPDIESB-UONOGXRCSA-N 1 3 321.440 2.465 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)C1CN(Cc2ccccc2)C1)[NH+](C)C ZINC001422754910 1172843822 /nfs/dbraw/zinc/84/38/22/1172843822.db2.gz KVWYJYXUCUQRIF-YJBOKZPZSA-N 1 3 317.477 2.209 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)CN(C)Cc1ccc(F)cc1)[NH+](C)C ZINC001422829811 1172879116 /nfs/dbraw/zinc/87/91/16/1172879116.db2.gz WBWGYSLEWZJIGM-PBHICJAKSA-N 1 3 323.456 2.348 20 0 DEADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCN2CC2CC3(CCC3)C2)C1 ZINC001423163054 1173133596 /nfs/dbraw/zinc/13/35/96/1173133596.db2.gz CXMKOCSMFSSEPY-WBVHZDCISA-N 1 3 319.493 2.099 20 0 DEADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CCN2CC2CC3(CCC3)C2)C1 ZINC001423163054 1173133603 /nfs/dbraw/zinc/13/36/03/1173133603.db2.gz CXMKOCSMFSSEPY-WBVHZDCISA-N 1 3 319.493 2.099 20 0 DEADHO CC[C@H](F)CN[C@H](C)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001423174071 1173143224 /nfs/dbraw/zinc/14/32/24/1173143224.db2.gz SCRFEJFMDZMSDL-CABCVRRESA-N 1 3 301.450 2.047 20 0 DEADHO CCC(CC)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001423941021 1173584444 /nfs/dbraw/zinc/58/44/44/1173584444.db2.gz BLHBXSXDQSGZJO-RDJZCZTQSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccsc1)N(C)C ZINC001424301006 1173746722 /nfs/dbraw/zinc/74/67/22/1173746722.db2.gz JQQGPDZPOVCCMS-OAHLLOKOSA-N 1 3 311.495 2.369 20 0 DEADHO CC[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccsc1)N(C)C ZINC001424301006 1173746728 /nfs/dbraw/zinc/74/67/28/1173746728.db2.gz JQQGPDZPOVCCMS-OAHLLOKOSA-N 1 3 311.495 2.369 20 0 DEADHO CCCN1Cc2ccccc2C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001424380522 1173776555 /nfs/dbraw/zinc/77/65/55/1173776555.db2.gz JMWDRJFFNAUDBH-SFHVURJKSA-N 1 3 317.477 2.281 20 0 DEADHO Cc1cc(CN(C)[C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)c(C)s1 ZINC001425079351 1174169143 /nfs/dbraw/zinc/16/91/43/1174169143.db2.gz SGOHRWHQYLHILY-WFASDCNBSA-N 1 3 323.506 2.253 20 0 DEADHO Cc1cc(CN(C)[C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)c(C)s1 ZINC001425079351 1174169154 /nfs/dbraw/zinc/16/91/54/1174169154.db2.gz SGOHRWHQYLHILY-WFASDCNBSA-N 1 3 323.506 2.253 20 0 DEADHO Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)CN(C)C(C)C)cc1 ZINC001425084776 1174171026 /nfs/dbraw/zinc/17/10/26/1174171026.db2.gz KWJOUUKFKVSMBA-INIZCTEOSA-N 1 3 305.466 2.272 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]CC1CC1)C1CC1 ZINC001425504606 1174342936 /nfs/dbraw/zinc/34/29/36/1174342936.db2.gz HTHFXVZZYYJZGZ-MSOLQXFVSA-N 1 3 321.509 2.486 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)NCC1([NH+](C)C)CCCCC1 ZINC001426475919 1174771275 /nfs/dbraw/zinc/77/12/75/1174771275.db2.gz YHNGEGXHQQISBB-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@H](COCC1CC1)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001434532556 1178793545 /nfs/dbraw/zinc/79/35/45/1178793545.db2.gz MPRGWJKHEVFMDD-FAEJEUNOSA-N 1 3 310.482 2.425 20 0 DEADHO CC[C@H](C(=O)N(C)C1CC[NH+](CC2CC(C)C2)CC1)N(C)C ZINC001436674223 1179180269 /nfs/dbraw/zinc/18/02/69/1179180269.db2.gz LEPAMVDYNCJRCO-VMBOVVBDSA-N 1 3 309.498 2.296 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H](NC/C=C/Cl)C1)[NH+](CC)CC ZINC001436875692 1179287062 /nfs/dbraw/zinc/28/70/62/1179287062.db2.gz LBKXPBJNWYZZNM-CYUPMTOZSA-N 1 3 301.862 2.050 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]2C[N@H+](CCC3CC3)CC[C@@H]21 ZINC001436939102 1179310732 /nfs/dbraw/zinc/31/07/32/1179310732.db2.gz AGVUUYDINKFJQK-ROUUACIJSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]2C[N@@H+](CCC3CC3)CC[C@@H]21 ZINC001436939102 1179310741 /nfs/dbraw/zinc/31/07/41/1179310741.db2.gz AGVUUYDINKFJQK-ROUUACIJSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1)N(C)C ZINC001436960892 1179319084 /nfs/dbraw/zinc/31/90/84/1179319084.db2.gz QYFUVLDOAANFKU-FGTMMUONSA-N 1 3 317.477 2.380 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)NC/C=C/Cl ZINC001437173232 1179519176 /nfs/dbraw/zinc/51/91/76/1179519176.db2.gz VGRNDHURULGBDQ-UTSBKAFOSA-N 1 3 315.889 2.486 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)NC/C=C/Cl ZINC001437173232 1179519185 /nfs/dbraw/zinc/51/91/85/1179519185.db2.gz VGRNDHURULGBDQ-UTSBKAFOSA-N 1 3 315.889 2.486 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC001437569402 1179848759 /nfs/dbraw/zinc/84/87/59/1179848759.db2.gz HCHNXSBUIWPLFU-CQSZACIVSA-N 1 3 319.440 2.200 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC001437569402 1179848760 /nfs/dbraw/zinc/84/87/60/1179848760.db2.gz HCHNXSBUIWPLFU-CQSZACIVSA-N 1 3 319.440 2.200 20 0 DEADHO Cc1ccc(F)c(CN2CC[C@H](CNC(=O)CC[NH+](C)C)C2)c1 ZINC001437725653 1179909125 /nfs/dbraw/zinc/90/91/25/1179909125.db2.gz VXGNINYBQIGJEZ-OAHLLOKOSA-N 1 3 321.440 2.024 20 0 DEADHO C[C@@H]([NH2+]CCN(C)C(=O)CN1CCCC1)c1ccc(F)cc1 ZINC001437840624 1180025733 /nfs/dbraw/zinc/02/57/33/1180025733.db2.gz GENJDYULKYJPLA-CQSZACIVSA-N 1 3 307.413 2.031 20 0 DEADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@H+](CC2CCCC2)C1)N(C)C ZINC001437935524 1180089657 /nfs/dbraw/zinc/08/96/57/1180089657.db2.gz CJSFLMLMBVDXMY-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](CC2CCCC2)C1)N(C)C ZINC001437935524 1180089662 /nfs/dbraw/zinc/08/96/62/1180089662.db2.gz CJSFLMLMBVDXMY-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](C(=O)NCC[C@H]1CCN(CCF)C1)[NH+]1CCCCCC1 ZINC001437942925 1180095964 /nfs/dbraw/zinc/09/59/64/1180095964.db2.gz XUVAJYVPOGRQCW-HOTGVXAUSA-N 1 3 313.461 2.049 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccsc1)N(C)C ZINC001438519994 1180531532 /nfs/dbraw/zinc/53/15/32/1180531532.db2.gz NQWACHXPNPQIIX-DZGCQCFKSA-N 1 3 311.495 2.176 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]CC1CC2(CCC2)C1 ZINC001438532989 1180557119 /nfs/dbraw/zinc/55/71/19/1180557119.db2.gz QYFIVLWZXYAXTN-HZPDHXFCSA-N 1 3 321.509 2.250 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]CC1CC2(CCC2)C1 ZINC001438532990 1180557333 /nfs/dbraw/zinc/55/73/33/1180557333.db2.gz QYFIVLWZXYAXTN-JKSUJKDBSA-N 1 3 321.509 2.250 20 0 DEADHO C[C@H](C[NH2+]Cc1ccc(Cl)cc1)N(C)C(=O)[C@H]1CCCN1C ZINC001438679204 1180749988 /nfs/dbraw/zinc/74/99/88/1180749988.db2.gz QHUFPUCXPTUKDX-CZUORRHYSA-N 1 3 323.868 2.371 20 0 DEADHO C[C@@H](c1ccccc1)N(C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001438936283 1180857279 /nfs/dbraw/zinc/85/72/79/1180857279.db2.gz FPARACJRXHBIJL-RDJZCZTQSA-N 1 3 303.450 2.090 20 0 DEADHO C[C@@H](c1ccccc1)N(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001438936283 1180857282 /nfs/dbraw/zinc/85/72/82/1180857282.db2.gz FPARACJRXHBIJL-RDJZCZTQSA-N 1 3 303.450 2.090 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001439110123 1180886716 /nfs/dbraw/zinc/88/67/16/1180886716.db2.gz KNQYUEXPZWEBBW-AEFFLSMTSA-N 1 3 317.477 2.462 20 0 DEADHO C[C@H](C(=O)N[C@@H](C)CNCc1ccns1)[NH+]1CCCCCC1 ZINC001439259659 1180974241 /nfs/dbraw/zinc/97/42/41/1180974241.db2.gz ZOSQIKCQMQXTRX-UONOGXRCSA-N 1 3 324.494 2.002 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccccc1C)C1CC1)N(C)C ZINC001439480172 1181106607 /nfs/dbraw/zinc/10/66/07/1181106607.db2.gz NZBKADXUPUFZNC-MSOLQXFVSA-N 1 3 317.477 2.320 20 0 DEADHO C[N@H+](CCC(=O)NC[C@@H]1CCN1CC1CC1)C1CCCCC1 ZINC001439552257 1181139616 /nfs/dbraw/zinc/13/96/16/1181139616.db2.gz WDFJLWOARGQYMV-KRWDZBQOSA-N 1 3 307.482 2.242 20 0 DEADHO C[N@@H+](CCC(=O)NC[C@@H]1CCN1CC1CC1)C1CCCCC1 ZINC001439552257 1181139619 /nfs/dbraw/zinc/13/96/19/1181139619.db2.gz WDFJLWOARGQYMV-KRWDZBQOSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H](C)CC)C1 ZINC001440342104 1181456493 /nfs/dbraw/zinc/45/64/93/1181456493.db2.gz NNJXWKQIAGWOOJ-LUKYLMHMSA-N 1 3 309.498 2.391 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C[C@H]1C)CC[NH+](CC1CC1)CC2 ZINC001440413054 1181494833 /nfs/dbraw/zinc/49/48/33/1181494833.db2.gz CTLOYMJALVXADB-MRXNPFEDSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)CC[N@@H+]1CCCF ZINC001440647704 1181625405 /nfs/dbraw/zinc/62/54/05/1181625405.db2.gz LIMZBIBUMDKCMN-GJZGRUSLSA-N 1 3 315.477 2.293 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)CC[N@H+]1CCCF ZINC001440647704 1181625409 /nfs/dbraw/zinc/62/54/09/1181625409.db2.gz LIMZBIBUMDKCMN-GJZGRUSLSA-N 1 3 315.477 2.293 20 0 DEADHO Cc1ccccc1C[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)C(C)C ZINC001440863897 1181736268 /nfs/dbraw/zinc/73/62/68/1181736268.db2.gz WQGKNSATZGAPGA-HZPDHXFCSA-N 1 3 305.466 2.318 20 0 DEADHO C[C@@H](CNC(=O)CC[NH+](C)C)N(C)[C@@H](C)c1ccc(F)cc1 ZINC001440964377 1181802051 /nfs/dbraw/zinc/80/20/51/1181802051.db2.gz ULJJCBVJKFEZEZ-KBPBESRZSA-N 1 3 309.429 2.275 20 0 DEADHO CCC[NH2+][C@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001441222861 1181901109 /nfs/dbraw/zinc/90/11/09/1181901109.db2.gz INGQJTMTSDLHAI-PBHICJAKSA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)C[N@H+](C)C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001441293210 1181933453 /nfs/dbraw/zinc/93/34/53/1181933453.db2.gz CXRRHUVLLUSMIQ-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001441293210 1181933458 /nfs/dbraw/zinc/93/34/58/1181933458.db2.gz CXRRHUVLLUSMIQ-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001441325396 1181944451 /nfs/dbraw/zinc/94/44/51/1181944451.db2.gz OKSRWQLLLJKQIA-ZACQAIPSSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001441325396 1181944453 /nfs/dbraw/zinc/94/44/53/1181944453.db2.gz OKSRWQLLLJKQIA-ZACQAIPSSA-N 1 3 307.482 2.050 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN(C)C(C)C)C2)cc1 ZINC001441366052 1181958511 /nfs/dbraw/zinc/95/85/11/1181958511.db2.gz OKYCZCCQEZNETL-IYARVYRRSA-N 1 3 317.477 2.320 20 0 DEADHO CCc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001441406745 1181979944 /nfs/dbraw/zinc/97/99/44/1181979944.db2.gz YVHPYYYWGCBXOJ-BZSNNMDCSA-N 1 3 317.477 2.326 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cl)C1)N(C)C ZINC001441523958 1182040916 /nfs/dbraw/zinc/04/09/16/1182040916.db2.gz MNYJUVVIGOEBAY-LZWOXQAQSA-N 1 3 323.868 2.417 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001441613435 1182090150 /nfs/dbraw/zinc/09/01/50/1182090150.db2.gz DIPQEZVEAPJFIM-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO CCC[N@H+](CCNC(=O)[C@@H]1CCCCN1C(C)C)CC1CC1 ZINC001442967607 1182814844 /nfs/dbraw/zinc/81/48/44/1182814844.db2.gz STHJHHQGLYSGEK-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@@H+](CCNC(=O)[C@@H]1CCCCN1C(C)C)CC1CC1 ZINC001442967607 1182814845 /nfs/dbraw/zinc/81/48/45/1182814845.db2.gz STHJHHQGLYSGEK-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)C1(C(=O)NCC[N@H+](Cc2ccccc2)C2CC2)CCC1 ZINC001443009830 1182824995 /nfs/dbraw/zinc/82/49/95/1182824995.db2.gz UDWYROJSEQDVBL-UHFFFAOYSA-N 1 3 315.461 2.252 20 0 DEADHO CN(C)C1(C(=O)NCC[N@@H+](Cc2ccccc2)C2CC2)CCC1 ZINC001443009830 1182824997 /nfs/dbraw/zinc/82/49/97/1182824997.db2.gz UDWYROJSEQDVBL-UHFFFAOYSA-N 1 3 315.461 2.252 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCC(C)(C)C)C1 ZINC001443314960 1182920756 /nfs/dbraw/zinc/92/07/56/1182920756.db2.gz WWSUGXMJOMUBFW-HOTGVXAUSA-N 1 3 309.498 2.297 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCC(C)(C)C)C1 ZINC001443314960 1182920767 /nfs/dbraw/zinc/92/07/67/1182920767.db2.gz WWSUGXMJOMUBFW-HOTGVXAUSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@@H](c1ccccc1)N1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001443623563 1183058650 /nfs/dbraw/zinc/05/86/50/1183058650.db2.gz OFQSUMYVKIYTHL-HNNXBMFYSA-N 1 3 303.450 2.137 20 0 DEADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCC1 ZINC001443690905 1183083900 /nfs/dbraw/zinc/08/39/00/1183083900.db2.gz DIIGCLPSDINKBR-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC1CCN(CCF)CC1 ZINC001444237729 1183321310 /nfs/dbraw/zinc/32/13/10/1183321310.db2.gz VRZGZILWNOLMPM-MRXNPFEDSA-N 1 3 313.461 2.049 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCCC1CCN(CCF)CC1 ZINC001444237729 1183321318 /nfs/dbraw/zinc/32/13/18/1183321318.db2.gz VRZGZILWNOLMPM-MRXNPFEDSA-N 1 3 313.461 2.049 20 0 DEADHO Cc1cc(C)cc(C[NH2+]C[C@@H](C)N(C)C(=O)CN2CCCC2)c1 ZINC001444720979 1183530241 /nfs/dbraw/zinc/53/02/41/1183530241.db2.gz GLLSDPILHZUEGD-QGZVFWFLSA-N 1 3 317.477 2.336 20 0 DEADHO C[C@@H](C[NH2+][C@H]1CCc2ccccc21)N(C)C(=O)CN1CCCC1 ZINC001444718854 1183530943 /nfs/dbraw/zinc/53/09/43/1183530943.db2.gz FPUGRXNBVFYCGX-YJBOKZPZSA-N 1 3 315.461 2.206 20 0 DEADHO CC(C)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001444831494 1183580960 /nfs/dbraw/zinc/58/09/60/1183580960.db2.gz WMGJAABGQTUGOR-RDJZCZTQSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](C[NH2+][C@H](C)c1ccccc1)NC(=O)CN(C)C1CCC1 ZINC001445387699 1183858039 /nfs/dbraw/zinc/85/80/39/1183858039.db2.gz GZVFIQNVKZJCCK-HUUCEWRRSA-N 1 3 303.450 2.326 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)NC(=O)CN2CC[C@H](C)C2)cc1F ZINC001445608213 1183933263 /nfs/dbraw/zinc/93/32/63/1183933263.db2.gz XHKSOXXTQABVNS-ZFWWWQNUSA-N 1 3 321.440 2.070 20 0 DEADHO C[C@H](CN(C)Cc1ccc(CF)cc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001445870419 1184105264 /nfs/dbraw/zinc/10/52/64/1184105264.db2.gz NBYWJIIRPPRJJT-PBHICJAKSA-N 1 3 321.440 2.044 20 0 DEADHO C[C@H](CN(C)Cc1ccc(CF)cc1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001445870419 1184105273 /nfs/dbraw/zinc/10/52/73/1184105273.db2.gz NBYWJIIRPPRJJT-PBHICJAKSA-N 1 3 321.440 2.044 20 0 DEADHO Cc1cccc(C)c1CN1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001446076753 1184214966 /nfs/dbraw/zinc/21/49/66/1184214966.db2.gz QRHIGFKENAGYIL-QGZVFWFLSA-N 1 3 317.477 2.336 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]C/C=C/c2ccccc2)CC1)N(C)C ZINC001446252490 1184284415 /nfs/dbraw/zinc/28/44/15/1184284415.db2.gz LNLFWQOITARWIG-YRYLYKBFSA-N 1 3 315.461 2.278 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001446296282 1184299123 /nfs/dbraw/zinc/29/91/23/1184299123.db2.gz PBYFCWPDSUDSBF-GOSISDBHSA-N 1 3 321.509 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001446296282 1184299129 /nfs/dbraw/zinc/29/91/29/1184299129.db2.gz PBYFCWPDSUDSBF-GOSISDBHSA-N 1 3 321.509 2.299 20 0 DEADHO CCCN(C)CC(=O)NC[C@@]1(C)CCC[N@H+](CC2CCC2)C1 ZINC001446679288 1184496602 /nfs/dbraw/zinc/49/66/02/1184496602.db2.gz CGPRLGFFYIWSLA-GOSISDBHSA-N 1 3 309.498 2.347 20 0 DEADHO CCCN(C)CC(=O)NC[C@@]1(C)CCC[N@@H+](CC2CCC2)C1 ZINC001446679288 1184496607 /nfs/dbraw/zinc/49/66/07/1184496607.db2.gz CGPRLGFFYIWSLA-GOSISDBHSA-N 1 3 309.498 2.347 20 0 DEADHO C[C@H](NC(=O)CN(C)CC(C)(C)C)C1C[NH+](CCC2CC2)C1 ZINC001448318723 1185160578 /nfs/dbraw/zinc/16/05/78/1185160578.db2.gz KTVLJQHYMAFSQZ-AWEZNQCLSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H]1[C@H]([NH2+]CCC(C)(C)C)CCN1C(=O)CN(C)C1CCC1 ZINC001448970385 1185465164 /nfs/dbraw/zinc/46/51/64/1185465164.db2.gz BLFRRPBOODJAIG-GDBMZVCRSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCC3CC3)[C@H]2C1 ZINC001449027132 1185496340 /nfs/dbraw/zinc/49/63/40/1185496340.db2.gz CHSDNNHFCXMNIT-BZSNNMDCSA-N 1 3 321.509 2.343 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001449062636 1185513910 /nfs/dbraw/zinc/51/39/10/1185513910.db2.gz NLIIPQVFGRURBP-DLBZAZTESA-N 1 3 309.498 2.393 20 0 DEADHO C[C@@H](C(=O)NCC1([NH2+]CCF)CCCC1)N1CCCCCC1 ZINC001405775409 1164234207 /nfs/dbraw/zinc/23/42/07/1164234207.db2.gz NGKHJACPKONDOC-HNNXBMFYSA-N 1 3 313.461 2.239 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001370701864 1149828419 /nfs/dbraw/zinc/82/84/19/1149828419.db2.gz FGBDYOOOOGCUMV-GASCZTMLSA-N 1 3 323.868 2.419 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001370701864 1149828420 /nfs/dbraw/zinc/82/84/20/1149828420.db2.gz FGBDYOOOOGCUMV-GASCZTMLSA-N 1 3 323.868 2.419 20 0 DEADHO CC(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001072832248 790265151 /nfs/dbraw/zinc/26/51/51/790265151.db2.gz ATNMGFBFZNZXHI-INIZCTEOSA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)CC[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001072832248 790265158 /nfs/dbraw/zinc/26/51/58/790265158.db2.gz ATNMGFBFZNZXHI-INIZCTEOSA-N 1 3 309.498 2.153 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001072832306 790265699 /nfs/dbraw/zinc/26/56/99/790265699.db2.gz DALCQVXICOZEEC-CVEARBPZSA-N 1 3 309.498 2.153 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001072832306 790265704 /nfs/dbraw/zinc/26/57/04/790265704.db2.gz DALCQVXICOZEEC-CVEARBPZSA-N 1 3 309.498 2.153 20 0 DEADHO C[N@H+](CC1CCCC1)C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001089234452 782300920 /nfs/dbraw/zinc/30/09/20/782300920.db2.gz XTILFGPJMHPLIA-KRWDZBQOSA-N 1 3 318.465 2.455 20 0 DEADHO C[N@@H+](CC1CCCC1)C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001089234452 782300925 /nfs/dbraw/zinc/30/09/25/782300925.db2.gz XTILFGPJMHPLIA-KRWDZBQOSA-N 1 3 318.465 2.455 20 0 DEADHO CCCN(C)CC(=O)NC1CC2(C1)CC([NH2+]CC[C@@H](C)F)C2 ZINC001122106451 782444626 /nfs/dbraw/zinc/44/46/26/782444626.db2.gz GORRFIIRUOWKFK-HOUHCIJLSA-N 1 3 313.461 2.093 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCF)C2)c1 ZINC001332340958 1149851499 /nfs/dbraw/zinc/85/14/99/1149851499.db2.gz NBFBDGDFUHUFJC-PBHICJAKSA-N 1 3 321.440 2.206 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[C@H](C[NH2+]CCF)C2)c1 ZINC001332340964 1149851623 /nfs/dbraw/zinc/85/16/23/1149851623.db2.gz NBFBDGDFUHUFJC-YOEHRIQHSA-N 1 3 321.440 2.206 20 0 DEADHO CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001408359409 1165613600 /nfs/dbraw/zinc/61/36/00/1165613600.db2.gz YRIXJRFOQLFLTG-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001408359409 1165613604 /nfs/dbraw/zinc/61/36/04/1165613604.db2.gz YRIXJRFOQLFLTG-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC2CC(C)C2)[C@H](C)C1 ZINC001106340075 782662332 /nfs/dbraw/zinc/66/23/32/782662332.db2.gz KQTPFKFQAAMFNX-MNAZLIDISA-N 1 3 323.525 2.447 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC)CC(C)(C)C1 ZINC001089401354 783068489 /nfs/dbraw/zinc/06/84/89/783068489.db2.gz SGPVJJQRHRBRHJ-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC)CC(C)(C)C1 ZINC001089401354 783068493 /nfs/dbraw/zinc/06/84/93/783068493.db2.gz SGPVJJQRHRBRHJ-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CC2CC2)CC(C)(C)C1 ZINC001089547690 783197065 /nfs/dbraw/zinc/19/70/65/783197065.db2.gz CSUVZFFPCKDLPA-OAHLLOKOSA-N 1 3 318.465 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1 ZINC001089547690 783197070 /nfs/dbraw/zinc/19/70/70/783197070.db2.gz CSUVZFFPCKDLPA-OAHLLOKOSA-N 1 3 318.465 2.277 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001072979651 790350789 /nfs/dbraw/zinc/35/07/89/790350789.db2.gz GXUZIDQZYIMVPR-CVEARBPZSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001072979651 790350801 /nfs/dbraw/zinc/35/08/01/790350801.db2.gz GXUZIDQZYIMVPR-CVEARBPZSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)=CC[N@@H+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001072983094 790356648 /nfs/dbraw/zinc/35/66/48/790356648.db2.gz KZVLIANLCJENNL-UHFFFAOYSA-N 1 3 319.493 2.219 20 0 DEADHO CC(C)=CC[N@H+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001072983094 790356660 /nfs/dbraw/zinc/35/66/60/790356660.db2.gz KZVLIANLCJENNL-UHFFFAOYSA-N 1 3 319.493 2.219 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H](C[NH2+]CC3CC3)[C@H](C)C2)CC1 ZINC001075349195 776634109 /nfs/dbraw/zinc/63/41/09/776634109.db2.gz SZCBLBZCBSQUAS-SJLPKXTDSA-N 1 3 321.509 2.203 20 0 DEADHO C[C@H](F)CC[NH2+]CC1(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001167225663 776781716 /nfs/dbraw/zinc/78/17/16/776781716.db2.gz WKUWMSSJAHYYTR-LSDHHAIUSA-N 1 3 313.461 2.095 20 0 DEADHO CC[C@H](C(=O)NCC1CC([NH2+]Cc2cccc(C)c2)C1)N(C)C ZINC001100443566 776823331 /nfs/dbraw/zinc/82/33/31/776823331.db2.gz OEVLNEHVDZFVTJ-DAWZGUTISA-N 1 3 317.477 2.320 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H](NC[C@H](F)CC)C1 ZINC001210788682 776948854 /nfs/dbraw/zinc/94/88/54/776948854.db2.gz HVFDKGYOEXYKNY-CABCVRRESA-N 1 3 301.450 2.047 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H](NC[C@H](F)CC)C1 ZINC001210788682 776948856 /nfs/dbraw/zinc/94/88/56/776948856.db2.gz HVFDKGYOEXYKNY-CABCVRRESA-N 1 3 301.450 2.047 20 0 DEADHO CC(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001104292176 776951178 /nfs/dbraw/zinc/95/11/78/776951178.db2.gz NDAWIVCTXADBPA-OIISXLGYSA-N 1 3 309.498 2.057 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CC2)C1 ZINC001104362643 777133685 /nfs/dbraw/zinc/13/36/85/777133685.db2.gz BBPCPKAKRPLYGB-GDBMZVCRSA-N 1 3 309.498 2.201 20 0 DEADHO CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC001075448329 777331111 /nfs/dbraw/zinc/33/11/11/777331111.db2.gz UCEFTYZGRLYWBK-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC001075448329 777331117 /nfs/dbraw/zinc/33/11/17/777331117.db2.gz UCEFTYZGRLYWBK-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CC1 ZINC001087212397 777349671 /nfs/dbraw/zinc/34/96/71/777349671.db2.gz AADTTYKJUBKESN-VYDXJSESSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@@H](F)C[NH2+]CC[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001104809332 778191921 /nfs/dbraw/zinc/19/19/21/778191921.db2.gz FABSETFJKQDDTN-BZUAXINKSA-N 1 3 315.477 2.151 20 0 DEADHO CC(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001112529816 778608546 /nfs/dbraw/zinc/60/85/46/778608546.db2.gz QHZMVTWWYZJJTM-LNLFQRSKSA-N 1 3 321.509 2.203 20 0 DEADHO C[NH+](C)Cc1c[nH]c2nccc(NCCN3CCSCC3)c12 ZINC001167837070 778695601 /nfs/dbraw/zinc/69/56/01/778695601.db2.gz MEFGKFXPQRASNS-UHFFFAOYSA-N 1 3 319.478 2.085 20 0 DEADHO CC[NH+](CC)CCC[C@H](C)N1CCN(c2cncnc2)CC1 ZINC001167841423 778702913 /nfs/dbraw/zinc/70/29/13/778702913.db2.gz MVLVGYZKOOWSRC-INIZCTEOSA-N 1 3 305.470 2.109 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C(C)C)C1 ZINC001211711683 778757625 /nfs/dbraw/zinc/75/76/25/778757625.db2.gz QPECVVJJKZYFOL-ZWKOTPCHSA-N 1 3 317.477 2.321 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC3CCC3)C[C@H]21 ZINC001075784651 779232143 /nfs/dbraw/zinc/23/21/43/779232143.db2.gz BOSDKSZVWMDQER-OKZBNKHCSA-N 1 3 319.493 2.192 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC3CCC3)C[C@H]21 ZINC001075784651 779232149 /nfs/dbraw/zinc/23/21/49/779232149.db2.gz BOSDKSZVWMDQER-OKZBNKHCSA-N 1 3 319.493 2.192 20 0 DEADHO O=C1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C[C@@H]2CCCN12 ZINC001168001404 779245506 /nfs/dbraw/zinc/24/55/06/779245506.db2.gz BISSHMCGEUQZBC-KTGAGVNESA-N 1 3 317.477 2.089 20 0 DEADHO O=C1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@@H]2CCCN12 ZINC001168001404 779245510 /nfs/dbraw/zinc/24/55/10/779245510.db2.gz BISSHMCGEUQZBC-KTGAGVNESA-N 1 3 317.477 2.089 20 0 DEADHO O=C1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C[C@@H]2CCCN12 ZINC001168001404 779245514 /nfs/dbraw/zinc/24/55/14/779245514.db2.gz BISSHMCGEUQZBC-KTGAGVNESA-N 1 3 317.477 2.089 20 0 DEADHO O=C1CC[N@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C[C@@H]2CCCN12 ZINC001168001404 779245519 /nfs/dbraw/zinc/24/55/19/779245519.db2.gz BISSHMCGEUQZBC-KTGAGVNESA-N 1 3 317.477 2.089 20 0 DEADHO CN1CCC[C@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@@H]21 ZINC001168004763 779263460 /nfs/dbraw/zinc/26/34/60/779263460.db2.gz YPLOYFUDVKVQRL-FSGLHJGXSA-N 1 3 303.494 2.418 20 0 DEADHO CN1CCC[C@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@@H]21 ZINC001168004763 779263464 /nfs/dbraw/zinc/26/34/64/779263464.db2.gz YPLOYFUDVKVQRL-FSGLHJGXSA-N 1 3 303.494 2.418 20 0 DEADHO C=CC(=O)NCCNC1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168021484 779425355 /nfs/dbraw/zinc/42/53/55/779425355.db2.gz OZWQXJOVAIGVRX-HOTGVXAUSA-N 1 3 315.461 2.320 20 0 DEADHO CC[C@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C1 ZINC001087995205 779620768 /nfs/dbraw/zinc/62/07/68/779620768.db2.gz YVVZWFLDBXUOOX-BBWFWOEESA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C1 ZINC001087995205 779620774 /nfs/dbraw/zinc/62/07/74/779620774.db2.gz YVVZWFLDBXUOOX-BBWFWOEESA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C(C)C)CC[C@@H]2C1 ZINC001088129793 779718433 /nfs/dbraw/zinc/71/84/33/779718433.db2.gz GHSXWUMOKBFRAX-SQNIBIBYSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C(C)C)CC[C@@H]2C1 ZINC001088129793 779718439 /nfs/dbraw/zinc/71/84/39/779718439.db2.gz GHSXWUMOKBFRAX-SQNIBIBYSA-N 1 3 321.509 2.438 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@@H]2CN(C(=O)CN(CC)CC)C[C@]2(C)C1 ZINC001101400467 779748698 /nfs/dbraw/zinc/74/86/98/779748698.db2.gz XOCCASSGOVLSBJ-TXKXQZRUSA-N 1 3 321.509 2.465 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@@H]2CN(C(=O)CN(CC)CC)C[C@]2(C)C1 ZINC001101400467 779748703 /nfs/dbraw/zinc/74/87/03/779748703.db2.gz XOCCASSGOVLSBJ-TXKXQZRUSA-N 1 3 321.509 2.465 20 0 DEADHO CC[C@H](C(=O)N1CCCCC[C@H]([NH2+]CC2CCC2)C1)N(C)C ZINC001088334597 779984145 /nfs/dbraw/zinc/98/41/45/779984145.db2.gz LWLLGMLIJSOOCM-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCCCC[C@@H]([NH2+]CC3CC3)C2)C1 ZINC001088381733 780050935 /nfs/dbraw/zinc/05/09/35/780050935.db2.gz LIVCRRKPTLARNS-DOTOQJQBSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)C[NH2+][C@H]1CCCCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001088382182 780051923 /nfs/dbraw/zinc/05/19/23/780051923.db2.gz WEWQCRDQOPMONJ-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCCC[C@H]([NH2+]CCC2CC2)C1 ZINC001088390957 780061677 /nfs/dbraw/zinc/06/16/77/780061677.db2.gz ZVBXEQKQKROUMA-HNNXBMFYSA-N 1 3 304.438 2.113 20 0 DEADHO CCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)[C@H]1C ZINC001088768734 780969236 /nfs/dbraw/zinc/96/92/36/780969236.db2.gz AYWUWPGVPHFLAY-PVAVHDDUSA-N 1 3 307.482 2.240 20 0 DEADHO CCCC[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)[C@H]1C ZINC001088768734 780969238 /nfs/dbraw/zinc/96/92/38/780969238.db2.gz AYWUWPGVPHFLAY-PVAVHDDUSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)CC[N@@H+]1CC1CCC1 ZINC001088768792 780969480 /nfs/dbraw/zinc/96/94/80/780969480.db2.gz DSSHJGOBRCYUGP-JLSDUUJJSA-N 1 3 319.493 2.240 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)CC[N@H+]1CC1CCC1 ZINC001088768792 780969485 /nfs/dbraw/zinc/96/94/85/780969485.db2.gz DSSHJGOBRCYUGP-JLSDUUJJSA-N 1 3 319.493 2.240 20 0 DEADHO COC(=O)[C@H](C[NH2+]C1CCN(CC2CC2)CC1)c1ccccc1 ZINC001168370869 781614262 /nfs/dbraw/zinc/61/42/62/781614262.db2.gz HEAIBICBTVEDQM-GOSISDBHSA-N 1 3 316.445 2.407 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2)[C@H](C)C1 ZINC001106909481 783388128 /nfs/dbraw/zinc/38/81/28/783388128.db2.gz KCQFBKZAZWWAFN-SJLPKXTDSA-N 1 3 317.477 2.213 20 0 DEADHO CN(C(=O)[C@H]1CCCN1C)[C@@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000948246153 783390319 /nfs/dbraw/zinc/39/03/19/783390319.db2.gz WJWYLFYPQOYNGT-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C(=O)[C@H]1CCCN1C)[C@@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000948246153 783390326 /nfs/dbraw/zinc/39/03/26/783390326.db2.gz WJWYLFYPQOYNGT-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)N(C)CC)C1 ZINC001099497867 783522228 /nfs/dbraw/zinc/52/22/28/783522228.db2.gz RCGLLBWJOVRAKH-QAETUUGQSA-N 1 3 321.509 2.296 20 0 DEADHO CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)N(C)CC)C1 ZINC001099497867 783522236 /nfs/dbraw/zinc/52/22/36/783522236.db2.gz RCGLLBWJOVRAKH-QAETUUGQSA-N 1 3 321.509 2.296 20 0 DEADHO CC(C)N1CC[C@@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085984502 784286143 /nfs/dbraw/zinc/28/61/43/784286143.db2.gz FTWTZLDGCPPLJT-QGZVFWFLSA-N 1 3 303.450 2.303 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CC2)C1 ZINC001086364964 784626165 /nfs/dbraw/zinc/62/61/65/784626165.db2.gz ZOYRVSLCHLHZTQ-BRWVUGGUSA-N 1 3 307.482 2.144 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC(C)C2)C1 ZINC001086382773 784635102 /nfs/dbraw/zinc/63/51/02/784635102.db2.gz XMJVNKJDQNCJRB-CNFALQKSSA-N 1 3 321.509 2.391 20 0 DEADHO CN(CC(=O)N1CC[C@@H]([NH2+]CCC2CCCC2)C1)C1CCC1 ZINC000968922166 784652107 /nfs/dbraw/zinc/65/21/07/784652107.db2.gz SZQUCSCPYLFOES-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1)N(C)C ZINC000969074391 784716032 /nfs/dbraw/zinc/71/60/32/784716032.db2.gz AULWJQJTVHCVCD-QZTJIDSGSA-N 1 3 317.477 2.334 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccccc2)C1)N(C)C ZINC000969077603 784716737 /nfs/dbraw/zinc/71/67/37/784716737.db2.gz YGYPCARPTDJUDW-DJIMGWMZSA-N 1 3 303.450 2.278 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C1)N(C)C ZINC000969076985 784716750 /nfs/dbraw/zinc/71/67/50/784716750.db2.gz HFJKBKJFLSDXOJ-IAOVAPTHSA-N 1 3 321.440 2.417 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC001169077857 785035738 /nfs/dbraw/zinc/03/57/38/785035738.db2.gz AULNFOLTMPYXTH-APIJFGDWSA-N 1 3 309.454 2.211 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC001169077857 785035749 /nfs/dbraw/zinc/03/57/49/785035749.db2.gz AULNFOLTMPYXTH-APIJFGDWSA-N 1 3 309.454 2.211 20 0 DEADHO COc1ccc2c(c1)c(CN)nn2[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169119088 785042199 /nfs/dbraw/zinc/04/21/99/785042199.db2.gz QCBGJSWGPJGXMS-ITGUQSILSA-N 1 3 300.406 2.301 20 0 DEADHO COc1ccc2c(c1)c(CN)nn2[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169119088 785042208 /nfs/dbraw/zinc/04/22/08/785042208.db2.gz QCBGJSWGPJGXMS-ITGUQSILSA-N 1 3 300.406 2.301 20 0 DEADHO COc1ccc2c(c1)c(CN)nn2[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169119087 785042871 /nfs/dbraw/zinc/04/28/71/785042871.db2.gz QCBGJSWGPJGXMS-CLLJXQQHSA-N 1 3 300.406 2.301 20 0 DEADHO COc1ccc2c(c1)c(CN)nn2[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169119087 785042878 /nfs/dbraw/zinc/04/28/78/785042878.db2.gz QCBGJSWGPJGXMS-CLLJXQQHSA-N 1 3 300.406 2.301 20 0 DEADHO CCO[C@@H]1CO[C@@]2(C1)CCCN([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169134250 785051700 /nfs/dbraw/zinc/05/17/00/785051700.db2.gz RQKHUGVUKFVILK-OBVSXPTNSA-N 1 3 308.466 2.272 20 0 DEADHO CCO[C@@H]1CO[C@@]2(C1)CCCN([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169134250 785051704 /nfs/dbraw/zinc/05/17/04/785051704.db2.gz RQKHUGVUKFVILK-OBVSXPTNSA-N 1 3 308.466 2.272 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001008051991 785090222 /nfs/dbraw/zinc/09/02/22/785090222.db2.gz JDWQGCXMWBODGP-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001008051991 785090227 /nfs/dbraw/zinc/09/02/27/785090227.db2.gz JDWQGCXMWBODGP-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC[NH+]1CCC(N2C[C@@H](c3ccccc3)[C@H](C(=O)OC)C2)CC1 ZINC001169265585 785102908 /nfs/dbraw/zinc/10/29/08/785102908.db2.gz YKSKHBMJBSMXFZ-ZWKOTPCHSA-N 1 3 316.445 2.359 20 0 DEADHO CC(C)CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001008161518 785123513 /nfs/dbraw/zinc/12/35/13/785123513.db2.gz HQBCQWJQZNSDKY-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001008161518 785123517 /nfs/dbraw/zinc/12/35/17/785123517.db2.gz HQBCQWJQZNSDKY-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CCN(CC)C(=O)C[C@H](C)[NH2+]C1CCN(CC2CCC2)CC1 ZINC001169447680 785188352 /nfs/dbraw/zinc/18/83/52/785188352.db2.gz WWFXYIVIGGFORL-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CCN(CC)C(=O)C[C@H](C)NC1CC[NH+](CC2CCC2)CC1 ZINC001169447680 785188354 /nfs/dbraw/zinc/18/83/54/785188354.db2.gz WWFXYIVIGGFORL-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC001009610984 785492246 /nfs/dbraw/zinc/49/22/46/785492246.db2.gz NIKDRRIHSYTXJA-GOSISDBHSA-N 1 3 315.461 2.352 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC001009610984 785492251 /nfs/dbraw/zinc/49/22/51/785492251.db2.gz NIKDRRIHSYTXJA-GOSISDBHSA-N 1 3 315.461 2.352 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(C)C)C1 ZINC001112548793 786157505 /nfs/dbraw/zinc/15/75/05/786157505.db2.gz RWSYQXXCUVLOKU-WMZOPIPTSA-N 1 3 309.498 2.203 20 0 DEADHO CCCCCN1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001113071414 786391471 /nfs/dbraw/zinc/39/14/71/786391471.db2.gz XLMQNVLCDSJJCW-UHFFFAOYSA-N 1 3 300.406 2.282 20 0 DEADHO CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001014400844 786571057 /nfs/dbraw/zinc/57/10/57/786571057.db2.gz SMYNLTMSTDDWEC-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001014400844 786571060 /nfs/dbraw/zinc/57/10/60/786571060.db2.gz SMYNLTMSTDDWEC-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[C@@H](C)CN1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001113538657 786668566 /nfs/dbraw/zinc/66/85/66/786668566.db2.gz ZMWQNIVUOKKVAZ-IAGOWNOFSA-N 1 3 309.498 2.155 20 0 DEADHO CC(C)C[C@@H](C)CN1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001113538657 786668569 /nfs/dbraw/zinc/66/85/69/786668569.db2.gz ZMWQNIVUOKKVAZ-IAGOWNOFSA-N 1 3 309.498 2.155 20 0 DEADHO CC(C)(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001015387942 787027057 /nfs/dbraw/zinc/02/70/57/787027057.db2.gz NLRVMCUHVZCOPD-DLBZAZTESA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001015387942 787027068 /nfs/dbraw/zinc/02/70/68/787027068.db2.gz NLRVMCUHVZCOPD-DLBZAZTESA-N 1 3 321.509 2.488 20 0 DEADHO CCC(CC)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001015505332 787085843 /nfs/dbraw/zinc/08/58/43/787085843.db2.gz TTYAGBYWSGTSAP-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CCC(CC)C[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001015505332 787085847 /nfs/dbraw/zinc/08/58/47/787085847.db2.gz TTYAGBYWSGTSAP-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)[C@H](C(=O)NCC[NH2+]CCC1CCCCCC1)C1CC1 ZINC001129444554 787212324 /nfs/dbraw/zinc/21/23/24/787212324.db2.gz UZQKZFJFIHKHGJ-KRWDZBQOSA-N 1 3 309.498 2.393 20 0 DEADHO CN(CC(=O)NCC[NH2+][C@@H]1CCCc2ccccc21)C1CCC1 ZINC001129534985 787225591 /nfs/dbraw/zinc/22/55/91/787225591.db2.gz GLZDSKBJRRHZLL-GOSISDBHSA-N 1 3 315.461 2.254 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[NH2+]CC[C@H]1CCCC1(F)F)N(C)C ZINC001129949424 787262634 /nfs/dbraw/zinc/26/26/34/787262634.db2.gz CYMVDPLXJGSOKA-KGLIPLIRSA-N 1 3 319.440 2.104 20 0 DEADHO O=C(NCCNCc1cccc(F)c1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130187429 787309105 /nfs/dbraw/zinc/30/91/05/787309105.db2.gz UWIXTIFZISICBZ-IAGOWNOFSA-N 1 3 319.424 2.048 20 0 DEADHO O=C(NCCNCc1cccc(F)c1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130187429 787309115 /nfs/dbraw/zinc/30/91/15/787309115.db2.gz UWIXTIFZISICBZ-IAGOWNOFSA-N 1 3 319.424 2.048 20 0 DEADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCc1ccc(Cl)s1 ZINC001130418983 787392287 /nfs/dbraw/zinc/39/22/87/787392287.db2.gz FZGKEAZRPAPQQH-UHFFFAOYSA-N 1 3 317.886 2.338 20 0 DEADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCc1ccc(Cl)s1 ZINC001130418983 787392298 /nfs/dbraw/zinc/39/22/98/787392298.db2.gz FZGKEAZRPAPQQH-UHFFFAOYSA-N 1 3 317.886 2.338 20 0 DEADHO CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001096175252 787559316 /nfs/dbraw/zinc/55/93/16/787559316.db2.gz FIRHILJZRKAWQW-IKGGRYGDSA-N 1 3 301.434 2.103 20 0 DEADHO CC(C)[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1C ZINC001133121574 788287289 /nfs/dbraw/zinc/28/72/89/788287289.db2.gz JGKLCGXLUIVBRH-HZPDHXFCSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C ZINC001133135124 788292392 /nfs/dbraw/zinc/29/23/92/788292392.db2.gz LWRYZHNSKUELRQ-JKSUJKDBSA-N 1 3 320.481 2.463 20 0 DEADHO C[NH2+]Cc1cc(-n2c(-c3ccccc3)cnc2[C@H](C)N)ncn1 ZINC001170679480 788371685 /nfs/dbraw/zinc/37/16/85/788371685.db2.gz FOYWHGCMINWNTR-LBPRGKRZSA-N 1 3 308.389 2.068 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001133823541 788620052 /nfs/dbraw/zinc/62/00/52/788620052.db2.gz IVIRVUSERZLLDO-KGLIPLIRSA-N 1 3 317.424 2.002 20 0 DEADHO CC/C=C\CC[NH2+]CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001133856651 788640861 /nfs/dbraw/zinc/64/08/61/788640861.db2.gz MUBFXLALYNJQML-JTGQJZMRSA-N 1 3 313.461 2.261 20 0 DEADHO CC[C@@H]([NH2+]CCNC(=O)CN1CC[C@@H](C)C1)c1ccccc1 ZINC001133849754 788641428 /nfs/dbraw/zinc/64/14/28/788641428.db2.gz DAAFLPDMOHDDPG-NVXWUHKLSA-N 1 3 303.450 2.185 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+]CCNC(=O)CN2CCC(C)(C)C2)c1 ZINC001133896075 788662256 /nfs/dbraw/zinc/66/22/56/788662256.db2.gz BZICSUSSFSGAOD-MRXNPFEDSA-N 1 3 317.477 2.494 20 0 DEADHO C[C@H](C[C@@H](C)[NH2+]Cc1cncs1)NC(=O)C1(N(C)C)CCC1 ZINC001134583428 788989190 /nfs/dbraw/zinc/98/91/90/788989190.db2.gz KIAWWTBGHYRUKI-CHWSQXEVSA-N 1 3 324.494 2.000 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccn1 ZINC001134773387 789074105 /nfs/dbraw/zinc/07/41/05/789074105.db2.gz OGCFVDVYWTXAIQ-HUUCEWRRSA-N 1 3 320.481 2.185 20 0 DEADHO O=C(NCCNCc1cccc(F)c1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135095532 789195911 /nfs/dbraw/zinc/19/59/11/789195911.db2.gz KBSCAYHPMSXESX-DLBZAZTESA-N 1 3 319.424 2.048 20 0 DEADHO O=C(NCCNCc1cccc(F)c1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135095532 789195916 /nfs/dbraw/zinc/19/59/16/789195916.db2.gz KBSCAYHPMSXESX-DLBZAZTESA-N 1 3 319.424 2.048 20 0 DEADHO Cc1cc(CNCCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)cs1 ZINC001135102218 789199505 /nfs/dbraw/zinc/19/95/05/789199505.db2.gz AAIAPFOAVOBPEX-HZPDHXFCSA-N 1 3 321.490 2.279 20 0 DEADHO Cc1cc(CNCCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)cs1 ZINC001135102218 789199506 /nfs/dbraw/zinc/19/95/06/789199506.db2.gz AAIAPFOAVOBPEX-HZPDHXFCSA-N 1 3 321.490 2.279 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cnccc1C ZINC001135743301 789475630 /nfs/dbraw/zinc/47/56/30/789475630.db2.gz IDMLXJFAYZIGQT-HZPDHXFCSA-N 1 3 320.481 2.105 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1c(C)noc1C ZINC001135976515 789586454 /nfs/dbraw/zinc/58/64/54/789586454.db2.gz KTIORRZGJXQKPI-OLZOCXBDSA-N 1 3 324.469 2.006 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCF)C1 ZINC001086820214 789644367 /nfs/dbraw/zinc/64/43/67/789644367.db2.gz USVOCEAXEVUMHR-ARFHVFGLSA-N 1 3 313.461 2.093 20 0 DEADHO N[C@H](CCC[NH3+])NC(F)(F)c1nc2ccsc2c(Cl)n1 ZINC001159786359 789678405 /nfs/dbraw/zinc/67/84/05/789678405.db2.gz YNTAFGGKAYZCJC-ZETCQYMHSA-N 1 3 321.784 2.007 20 0 DEADHO CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000398099067 790246602 /nfs/dbraw/zinc/24/66/02/790246602.db2.gz YJWAYEUBFNJMLG-BHYGNILZSA-N 1 3 303.450 2.139 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+]Cc1oc(C(C)C)nc1C)N(C)C ZINC001160883619 791223805 /nfs/dbraw/zinc/22/38/05/791223805.db2.gz PZWHMTLCNINORD-CQSZACIVSA-N 1 3 324.469 2.043 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)[C@H]1CCCN1C ZINC001074565020 791233248 /nfs/dbraw/zinc/23/32/48/791233248.db2.gz NYHCVIHJKBPHEK-BHYGNILZSA-N 1 3 319.493 2.240 20 0 DEADHO [NH3+]CCc1cc2ccccc2n1-c1ccc2c(n1)OCCNC2 ZINC001171300799 791487893 /nfs/dbraw/zinc/48/78/93/791487893.db2.gz FIVJNNZKPYOSQL-UHFFFAOYSA-N 1 3 308.385 2.009 20 0 DEADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+](CCCCCF)C2 ZINC001148469794 791751272 /nfs/dbraw/zinc/75/12/72/791751272.db2.gz VOZNRYPWNXTZBJ-UHFFFAOYSA-N 1 3 313.461 2.002 20 0 DEADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+](CCCCCF)C2 ZINC001148469794 791751277 /nfs/dbraw/zinc/75/12/77/791751277.db2.gz VOZNRYPWNXTZBJ-UHFFFAOYSA-N 1 3 313.461 2.002 20 0 DEADHO CC/C=C/CC[N@@H+]1CCC2(CN(C(=O)CN(CC)CC)C2)C1 ZINC001148469161 791751386 /nfs/dbraw/zinc/75/13/86/791751386.db2.gz DKJSFFKFGKACPH-BQYQJAHWSA-N 1 3 307.482 2.219 20 0 DEADHO CC/C=C/CC[N@H+]1CCC2(CN(C(=O)CN(CC)CC)C2)C1 ZINC001148469161 791751391 /nfs/dbraw/zinc/75/13/91/791751391.db2.gz DKJSFFKFGKACPH-BQYQJAHWSA-N 1 3 307.482 2.219 20 0 DEADHO C[C@@H]1CC2(CN1C(=O)Cc1c[nH]cn1)CC[NH+](CCCF)CC2 ZINC001086946344 791858674 /nfs/dbraw/zinc/85/86/74/791858674.db2.gz WLNUEVUNDUBHCU-CQSZACIVSA-N 1 3 322.428 2.015 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCC1CC([NH2+]C/C=C/Cl)C1 ZINC001100382942 792621936 /nfs/dbraw/zinc/62/19/36/792621936.db2.gz DVFQCOLBDHSRJM-MKLKXPCUSA-N 1 3 313.873 2.098 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCC1CC([NH2+]C/C=C\Cl)C1 ZINC001100382943 792622117 /nfs/dbraw/zinc/62/21/17/792622117.db2.gz DVFQCOLBDHSRJM-OWKRAXHLSA-N 1 3 313.873 2.098 20 0 DEADHO CC[C@H](C(=O)NCC1CC([NH2+]Cc2ccc(C)cc2)C1)N(C)C ZINC001100444247 792656295 /nfs/dbraw/zinc/65/62/95/792656295.db2.gz AYJKBLOHOAXTIO-DAWZGUTISA-N 1 3 317.477 2.320 20 0 DEADHO CC[C@@H](C(=O)NCC1CC([NH2+]CC2=CCCCC2)C1)N(C)C ZINC001100683726 792787366 /nfs/dbraw/zinc/78/73/66/792787366.db2.gz OUHVVYFOZGDPMF-JCYILVPMSA-N 1 3 307.482 2.311 20 0 DEADHO CCN(CC)CC(=O)NCC1CC([NH2+]CCc2cccs2)C1 ZINC001100771018 792834892 /nfs/dbraw/zinc/83/48/92/792834892.db2.gz UWJVJSPMEYCREC-UHFFFAOYSA-N 1 3 323.506 2.117 20 0 DEADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]CCc2ccccc2)C1 ZINC001101037280 792977827 /nfs/dbraw/zinc/97/78/27/792977827.db2.gz GVRWIWGRBZDZFD-UHFFFAOYSA-N 1 3 317.477 2.054 20 0 DEADHO C[N@H+]1C[C@H]2CN([C@H]3CCc4cc(F)c(F)c(F)c4C3)C[C@H]2C1 ZINC001171544009 793115384 /nfs/dbraw/zinc/11/53/84/793115384.db2.gz QJYGCZCETNZOOA-XQQFMLRXSA-N 1 3 310.363 2.455 20 0 DEADHO C[N@@H+]1C[C@H]2CN([C@H]3CCc4cc(F)c(F)c(F)c4C3)C[C@H]2C1 ZINC001171544009 793115390 /nfs/dbraw/zinc/11/53/90/793115390.db2.gz QJYGCZCETNZOOA-XQQFMLRXSA-N 1 3 310.363 2.455 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]C[C@@H](C)OC ZINC001171586079 793127844 /nfs/dbraw/zinc/12/78/44/793127844.db2.gz IQWJIBVDYKTRFY-LSDHHAIUSA-N 1 3 315.502 2.016 20 0 DEADHO CCCCCCN(C)CC(=O)N1C[C@H]2C[N@H+](CC)C[C@@]2(C)C1 ZINC001101395854 793142881 /nfs/dbraw/zinc/14/28/81/793142881.db2.gz SZXTXDCXNFCMOE-AEFFLSMTSA-N 1 3 309.498 2.299 20 0 DEADHO CCCCCCN(C)CC(=O)N1C[C@H]2C[N@@H+](CC)C[C@@]2(C)C1 ZINC001101395854 793142890 /nfs/dbraw/zinc/14/28/90/793142890.db2.gz SZXTXDCXNFCMOE-AEFFLSMTSA-N 1 3 309.498 2.299 20 0 DEADHO CNC(=O)N1CCC([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171625311 793157101 /nfs/dbraw/zinc/15/71/01/793157101.db2.gz GULONOYYCAGUAL-UHFFFAOYSA-N 1 3 310.486 2.031 20 0 DEADHO C[C@@H](CN)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171877279 793225845 /nfs/dbraw/zinc/22/58/45/793225845.db2.gz LNSHVBVXUQVDDH-RDJZCZTQSA-N 1 3 303.450 2.208 20 0 DEADHO C[C@@H](CN)C[N@@H+](C)[C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171877279 793225846 /nfs/dbraw/zinc/22/58/46/793225846.db2.gz LNSHVBVXUQVDDH-RDJZCZTQSA-N 1 3 303.450 2.208 20 0 DEADHO CC1(C)C[C@@H](NCCOCCO)CC[N@@H+]1Cc1ccccc1 ZINC001171963785 793259165 /nfs/dbraw/zinc/25/91/65/793259165.db2.gz JGAGHSKCXKQXMK-KRWDZBQOSA-N 1 3 306.450 2.028 20 0 DEADHO CC1(C)C[C@@H](NCCOCCO)CC[N@H+]1Cc1ccccc1 ZINC001171963785 793259174 /nfs/dbraw/zinc/25/91/74/793259174.db2.gz JGAGHSKCXKQXMK-KRWDZBQOSA-N 1 3 306.450 2.028 20 0 DEADHO C[C@H](CN)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172088269 793313001 /nfs/dbraw/zinc/31/30/01/793313001.db2.gz KMKUSSXXJVTSSD-TUVASFSCSA-N 1 3 311.470 2.491 20 0 DEADHO CCOC(=O)NC1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172130296 793319502 /nfs/dbraw/zinc/31/95/02/793319502.db2.gz NMWSMEQFNCTOGP-MUJYYYPQSA-N 1 3 309.454 2.212 20 0 DEADHO CCOC(=O)NC1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172130296 793319512 /nfs/dbraw/zinc/31/95/12/793319512.db2.gz NMWSMEQFNCTOGP-MUJYYYPQSA-N 1 3 309.454 2.212 20 0 DEADHO COCCCCN1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172130431 793319954 /nfs/dbraw/zinc/31/99/54/793319954.db2.gz IFYGKMYATQNPTR-BCDXTJNWSA-N 1 3 309.498 2.046 20 0 DEADHO COCCCCN1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172130431 793319960 /nfs/dbraw/zinc/31/99/60/793319960.db2.gz IFYGKMYATQNPTR-BCDXTJNWSA-N 1 3 309.498 2.046 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC(Oc3ccncn3)CC1)C2 ZINC001172133649 793325087 /nfs/dbraw/zinc/32/50/87/793325087.db2.gz UEHOSORCLMWZIS-MUJYYYPQSA-N 1 3 316.449 2.335 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC(Oc3ccncn3)CC1)C2 ZINC001172133649 793325095 /nfs/dbraw/zinc/32/50/95/793325095.db2.gz UEHOSORCLMWZIS-MUJYYYPQSA-N 1 3 316.449 2.335 20 0 DEADHO Cc1cncnc1O[C@@H]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172134750 793325198 /nfs/dbraw/zinc/32/51/98/793325198.db2.gz ZAOIQEMJYSGWGP-LTIDMASMSA-N 1 3 316.449 2.253 20 0 DEADHO Cc1cncnc1O[C@@H]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172134750 793325207 /nfs/dbraw/zinc/32/52/07/793325207.db2.gz ZAOIQEMJYSGWGP-LTIDMASMSA-N 1 3 316.449 2.253 20 0 DEADHO C[NH+](C)CC[C@H](N[C@H]1CCN2C(=O)CC[C@H]2C1)c1ccccc1 ZINC001172145789 793348956 /nfs/dbraw/zinc/34/89/56/793348956.db2.gz HZCVBBZSSSJDDN-BZSNNMDCSA-N 1 3 315.461 2.422 20 0 DEADHO O=C1CC[C@H]2C[C@@H]([NH+]3CCC(N4CCCCC4)CC3)CCN12 ZINC001172166785 793358799 /nfs/dbraw/zinc/35/87/99/793358799.db2.gz RHJBMOOBIMLUIO-IRXDYDNUSA-N 1 3 305.466 2.090 20 0 DEADHO CC1(C)C[C@@H]([NH2+]CC2CCN(Cc3cccnc3)CC2)CO1 ZINC001172278281 793386158 /nfs/dbraw/zinc/38/61/58/793386158.db2.gz GTBWXFHIUUPIPM-QGZVFWFLSA-N 1 3 303.450 2.451 20 0 DEADHO CC(C)N1CCN(CC[NH2+]C2CC(C)(C)OC(C)(C)C2)CC1 ZINC001172645941 793463162 /nfs/dbraw/zinc/46/31/62/793463162.db2.gz DHOQPMVFMNNGKZ-UHFFFAOYSA-N 1 3 311.514 2.338 20 0 DEADHO CN(C)C1CC[NH+]([C@H]2CCN(Cc3ccccc3)C(=O)C2)CC1 ZINC001172668846 793475765 /nfs/dbraw/zinc/47/57/65/793475765.db2.gz NUDNARAYVFFOTL-SFHVURJKSA-N 1 3 315.461 2.204 20 0 DEADHO C[C@@H](C(=O)NC[C@@H]1C[N@H+](CC2CC2)C[C@H]1C)N1CCCCCC1 ZINC001102430007 793612431 /nfs/dbraw/zinc/61/24/31/793612431.db2.gz AGOIQNKPPUZLEN-SOLBZPMBSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC2CC2)C[C@H]1C)N1CCCCCC1 ZINC001102430007 793612437 /nfs/dbraw/zinc/61/24/37/793612437.db2.gz AGOIQNKPPUZLEN-SOLBZPMBSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001103088797 793936186 /nfs/dbraw/zinc/93/61/86/793936186.db2.gz VQEWKHBBPLTOPO-DJIMGWMZSA-N 1 3 309.498 2.057 20 0 DEADHO CC(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001103088797 793936194 /nfs/dbraw/zinc/93/61/94/793936194.db2.gz VQEWKHBBPLTOPO-DJIMGWMZSA-N 1 3 309.498 2.057 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]CCCc1ccsc1 ZINC001174682258 794039430 /nfs/dbraw/zinc/03/94/30/794039430.db2.gz IKYVNWCEVIREEZ-UHFFFAOYSA-N 1 3 320.462 2.051 20 0 DEADHO CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001103495753 794118126 /nfs/dbraw/zinc/11/81/26/794118126.db2.gz RFBZLPUKZNSPBZ-BRWVUGGUSA-N 1 3 309.498 2.343 20 0 DEADHO CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001103495753 794118134 /nfs/dbraw/zinc/11/81/34/794118134.db2.gz RFBZLPUKZNSPBZ-BRWVUGGUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C ZINC001103755869 794213814 /nfs/dbraw/zinc/21/38/14/794213814.db2.gz RIMFTCNWSKAWTL-NVXWUHKLSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C ZINC001103755869 794213820 /nfs/dbraw/zinc/21/38/20/794213820.db2.gz RIMFTCNWSKAWTL-NVXWUHKLSA-N 1 3 309.498 2.201 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1cc(C)no1 ZINC001176279694 794389020 /nfs/dbraw/zinc/38/90/20/794389020.db2.gz PPMZARWEQRIIEW-AWEZNQCLSA-N 1 3 324.469 2.089 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]CCCCOC ZINC001176283904 794390077 /nfs/dbraw/zinc/39/00/77/794390077.db2.gz APXKZZIQRFPJQA-INIZCTEOSA-N 1 3 315.502 2.019 20 0 DEADHO CC[C@@H](F)C[NH2+]CCCC[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001176350378 794411613 /nfs/dbraw/zinc/41/16/13/794411613.db2.gz CHUISRUVLHPLKO-TZMCWYRMSA-N 1 3 312.433 2.273 20 0 DEADHO CC[C@@H](F)C[NH2+]CCCNC(=O)c1ccccc1CN(C)C ZINC001176948155 794538683 /nfs/dbraw/zinc/53/86/83/794538683.db2.gz IQIDZFPTOWIDDM-OAHLLOKOSA-N 1 3 309.429 2.206 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)CN(C)C(C)C)cc1C ZINC001176972370 794544823 /nfs/dbraw/zinc/54/48/23/794544823.db2.gz YKEIGHRGVWJRHL-UHFFFAOYSA-N 1 3 305.466 2.240 20 0 DEADHO OC1CC[NH+](CCCNC/C=C/c2ccc(F)cc2F)CC1 ZINC001177479581 794689734 /nfs/dbraw/zinc/68/97/34/794689734.db2.gz UZHDFYBRHAXYGE-HNQUOIGGSA-N 1 3 310.388 2.414 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3ccccc3)C[C@H]21 ZINC001115152445 794691253 /nfs/dbraw/zinc/69/12/53/794691253.db2.gz ULDRPKZUBZKXAO-NWGLXNPWSA-N 1 3 315.461 2.136 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3ccccc3)C[C@H]21 ZINC001115152445 794691256 /nfs/dbraw/zinc/69/12/56/794691256.db2.gz ULDRPKZUBZKXAO-NWGLXNPWSA-N 1 3 315.461 2.136 20 0 DEADHO COCC[N@H+](C)CCCNCc1ccc(-c2cnn(C)c2)cc1 ZINC001116863299 794993577 /nfs/dbraw/zinc/99/35/77/794993577.db2.gz WNEDMDVPAJUGLP-UHFFFAOYSA-N 1 3 316.449 2.145 20 0 DEADHO COCC[N@@H+](C)CCCNCc1ccc(-c2cnn(C)c2)cc1 ZINC001116863299 794993585 /nfs/dbraw/zinc/99/35/85/794993585.db2.gz WNEDMDVPAJUGLP-UHFFFAOYSA-N 1 3 316.449 2.145 20 0 DEADHO CC[C@H](C[NH2+]CCCCCCNC(=O)[C@@H](CC)N(C)C)OC ZINC001178815716 795013164 /nfs/dbraw/zinc/01/31/64/795013164.db2.gz KUWBPRPLLSHMEJ-HZPDHXFCSA-N 1 3 315.502 2.018 20 0 DEADHO CCOCC[NH2+]CCCCCCNC(=O)C(C)(C)N(C)CC ZINC001178853131 795013578 /nfs/dbraw/zinc/01/35/78/795013578.db2.gz CBCKGHHWQXYJKZ-UHFFFAOYSA-N 1 3 315.502 2.019 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001179308714 795090625 /nfs/dbraw/zinc/09/06/25/795090625.db2.gz KWDUGUWSHVKWEA-LTIDMASMSA-N 1 3 309.498 2.342 20 0 DEADHO C[C@H]1[C@@H](NCc2ccccc2Cl)CCN1C(=O)CC[NH+](C)C ZINC001179472639 795120791 /nfs/dbraw/zinc/12/07/91/795120791.db2.gz QCQREKFGGVDSKS-BBRMVZONSA-N 1 3 323.868 2.371 20 0 DEADHO C[C@H](F)CC[NH2+]CCCCCCNC(=O)CN1CCC[C@@H]1C ZINC001179580781 795145253 /nfs/dbraw/zinc/14/52/53/795145253.db2.gz PQUMVUQZFJPNLU-HOTGVXAUSA-N 1 3 315.477 2.485 20 0 DEADHO C[C@H]1[C@@H]([NH2+]C/C=C\Cl)CCN1C(=O)CN1CCC(C)CC1 ZINC001179779849 795169916 /nfs/dbraw/zinc/16/99/16/795169916.db2.gz ZDTKPCMGZFZELN-UUDVIROOSA-N 1 3 313.873 2.050 20 0 DEADHO CCN1CCN(C[C@@H](C)CNC(=[NH2+])Nc2ccccc2C)CC1 ZINC001118350338 795180447 /nfs/dbraw/zinc/18/04/47/795180447.db2.gz LIKMBLQRFQRCCZ-HNNXBMFYSA-N 1 3 317.481 2.205 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCc2cccs2)[C@@H]1C ZINC001179983123 795213615 /nfs/dbraw/zinc/21/36/15/795213615.db2.gz LWXNSWQBHNIPGQ-HOCLYGCPSA-N 1 3 323.506 2.211 20 0 DEADHO CCCN(C)CC(=O)NCCCCCC[NH2+]Cc1cnc(C)o1 ZINC001180124331 795245954 /nfs/dbraw/zinc/24/59/54/795245954.db2.gz VCQIZTXZJJBQCJ-UHFFFAOYSA-N 1 3 324.469 2.091 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)[C@@H]1C ZINC001180221873 795259116 /nfs/dbraw/zinc/25/91/16/795259116.db2.gz FKNACAKMVALVPC-RDJZCZTQSA-N 1 3 307.482 2.406 20 0 DEADHO CN(CCN(C)C(=O)C[N@H+](C)C1CCCC1)Cc1ccccc1 ZINC001180628969 795345395 /nfs/dbraw/zinc/34/53/95/795345395.db2.gz ITHDMZYCEUSMGX-UHFFFAOYSA-N 1 3 317.477 2.451 20 0 DEADHO CN(CCN(C)C(=O)C[N@@H+](C)C1CCCC1)Cc1ccccc1 ZINC001180628969 795345407 /nfs/dbraw/zinc/34/54/07/795345407.db2.gz ITHDMZYCEUSMGX-UHFFFAOYSA-N 1 3 317.477 2.451 20 0 DEADHO CC(C)[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCN2C(C)C)C[C@H]1C ZINC001181442113 795479478 /nfs/dbraw/zinc/47/94/78/795479478.db2.gz XQYZBATUUCRLRR-JFIYKMOQSA-N 1 3 309.498 2.342 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001181885525 795556511 /nfs/dbraw/zinc/55/65/11/795556511.db2.gz XPNJLBFDTYUHTE-YFHUEUNASA-N 1 3 311.514 2.447 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C[C@@H](C)CC)C1)N(C)C ZINC001181885524 795556513 /nfs/dbraw/zinc/55/65/13/795556513.db2.gz XPNJLBFDTYUHTE-BVIKNXMNSA-N 1 3 311.514 2.447 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(Cc1cccc(C[NH3+])c1)C(C)=N ZINC001182001061 795581147 /nfs/dbraw/zinc/58/11/47/795581147.db2.gz HMUMLCHMRFRMLM-QGZVFWFLSA-N 1 3 316.449 2.345 20 0 DEADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)C(C)(C)c1ccccc1C ZINC001182471259 795690129 /nfs/dbraw/zinc/69/01/29/795690129.db2.gz LLWFKWMWGHRRLT-UHFFFAOYSA-N 1 3 318.465 2.336 20 0 DEADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CC3CCC3)C2)C1 ZINC001182630161 795715172 /nfs/dbraw/zinc/71/51/72/795715172.db2.gz QIWKEAHOCZXKGC-FRQCXROJSA-N 1 3 321.509 2.203 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)NC[C@@H]2CCCC[N@H+]2C)cc(Cl)n1 ZINC001122454018 795759591 /nfs/dbraw/zinc/75/95/91/795759591.db2.gz BGMQOPKPLYHDIK-KBPBESRZSA-N 1 3 324.856 2.034 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)NC[C@@H]2CCCC[N@@H+]2C)cc(Cl)n1 ZINC001122454018 795759597 /nfs/dbraw/zinc/75/95/97/795759597.db2.gz BGMQOPKPLYHDIK-KBPBESRZSA-N 1 3 324.856 2.034 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C[C@@H](F)CC)C1 ZINC001183228837 795828138 /nfs/dbraw/zinc/82/81/38/795828138.db2.gz VOKILVYGZLLKAF-HLLBOEOZSA-N 1 3 315.477 2.151 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1)C1CC1 ZINC001183266529 795842116 /nfs/dbraw/zinc/84/21/16/795842116.db2.gz CCQGIMLKLDLNDO-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO O=C(N[C@H]1CC[NH2+]C1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001184406262 796059765 /nfs/dbraw/zinc/05/97/65/796059765.db2.gz NRSHQQZVNJTQLA-HOCLYGCPSA-N 1 3 321.852 2.030 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@H](C[NH2+]CC(C)C)[C@H](C)C1 ZINC001184712184 796108313 /nfs/dbraw/zinc/10/83/13/796108313.db2.gz KFJJXNYHDXLSBO-HZPDHXFCSA-N 1 3 311.514 2.447 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@H](C[NH2+]CCCF)[C@@H](C)C1 ZINC001184714380 796108947 /nfs/dbraw/zinc/10/89/47/796108947.db2.gz YACMFPRMHYBOTE-LSDHHAIUSA-N 1 3 315.477 2.151 20 0 DEADHO CCC[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001185170814 796201771 /nfs/dbraw/zinc/20/17/71/796201771.db2.gz RZTXAJMXOFTCIL-CVEARBPZSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1C[NH2+]CC1CC1 ZINC001185171482 796202313 /nfs/dbraw/zinc/20/23/13/796202313.db2.gz WLBCHPYNWXYAPW-RDJZCZTQSA-N 1 3 323.525 2.449 20 0 DEADHO CCCCC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001185214041 796214377 /nfs/dbraw/zinc/21/43/77/796214377.db2.gz GLVFBRJEWHAWQV-GJZGRUSLSA-N 1 3 306.454 2.217 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H](C[NH2+]CC2CCC2)[C@H](C)C1 ZINC001185357857 796237892 /nfs/dbraw/zinc/23/78/92/796237892.db2.gz FDCBBDMEOUWRLV-NVXWUHKLSA-N 1 3 309.498 2.203 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](NC/C=C/Cl)C1)[NH+](CC)CC ZINC001185609579 796293553 /nfs/dbraw/zinc/29/35/53/796293553.db2.gz LBKXPBJNWYZZNM-BIYBCCJYSA-N 1 3 301.862 2.050 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]CC2CCC2)[C@H](C)C1 ZINC001185751275 796315747 /nfs/dbraw/zinc/31/57/47/796315747.db2.gz OPCHOVARGMDHBC-WBVHZDCISA-N 1 3 309.498 2.201 20 0 DEADHO CN(Cc1cccc(CN2CCOCC2)c1)C1CC[NH+](C)CC1 ZINC001139053092 796315835 /nfs/dbraw/zinc/31/58/35/796315835.db2.gz SIBYXVJNIDGPLJ-UHFFFAOYSA-N 1 3 317.477 2.045 20 0 DEADHO CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001185753251 796316590 /nfs/dbraw/zinc/31/65/90/796316590.db2.gz WANZYOZHOUGKKC-DLBZAZTESA-N 1 3 309.498 2.367 20 0 DEADHO COC(=O)c1ccc(CN2CCC3(CC2)CC[NH+](C)CC3)nc1 ZINC001139496473 796386890 /nfs/dbraw/zinc/38/68/90/796386890.db2.gz VRAXLQCSIYKXSM-UHFFFAOYSA-N 1 3 317.433 2.176 20 0 DEADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)C2)cs1 ZINC001188157935 796639848 /nfs/dbraw/zinc/63/98/48/796639848.db2.gz ACBXFIOQYBEMJS-OAHLLOKOSA-N 1 3 309.479 2.087 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC001188158730 796640568 /nfs/dbraw/zinc/64/05/68/796640568.db2.gz WPKPUZMVYHTGDG-SJLPKXTDSA-N 1 3 315.461 2.205 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]Cc1cccc(F)c1 ZINC001161226615 796816672 /nfs/dbraw/zinc/81/66/72/796816672.db2.gz LGUUZLMBPMVRQU-UHFFFAOYSA-N 1 3 309.429 2.152 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC[NH2+]CCCCC(F)(F)F ZINC001152149447 797150421 /nfs/dbraw/zinc/15/04/21/797150421.db2.gz XTZLWDPSVPRNKT-CHWSQXEVSA-N 1 3 323.403 2.298 20 0 DEADHO CCc1ccccc1C[NH2+]CCNC(=O)[C@H]1CCCCN1CC ZINC001152446343 797188318 /nfs/dbraw/zinc/18/83/18/797188318.db2.gz YAMYJINQSJHAJQ-GOSISDBHSA-N 1 3 317.477 2.329 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(CF)cc1 ZINC001152446052 797188564 /nfs/dbraw/zinc/18/85/64/797188564.db2.gz RZVWSNGLCCNBPO-KRWDZBQOSA-N 1 3 321.440 2.236 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]CC1CCC(C)CC1 ZINC001152459042 797191061 /nfs/dbraw/zinc/19/10/61/797191061.db2.gz XLZLAQWLLIJZAE-OFLPRAFFSA-N 1 3 309.498 2.393 20 0 DEADHO CC/C=C/CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001192190300 797334693 /nfs/dbraw/zinc/33/46/93/797334693.db2.gz MHAWUEVZLIDPDC-IBHATUTGSA-N 1 3 309.498 2.462 20 0 DEADHO CC/C=C/CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001192190300 797334698 /nfs/dbraw/zinc/33/46/98/797334698.db2.gz MHAWUEVZLIDPDC-IBHATUTGSA-N 1 3 309.498 2.462 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NC[C@@H](C)[N@H+](CC)CC=C(C)C ZINC001153659818 797372273 /nfs/dbraw/zinc/37/22/73/797372273.db2.gz BHXBAWTWULWKGN-CVEARBPZSA-N 1 3 315.477 2.459 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NC[C@@H](C)[N@@H+](CC)CC=C(C)C ZINC001153659818 797372279 /nfs/dbraw/zinc/37/22/79/797372279.db2.gz BHXBAWTWULWKGN-CVEARBPZSA-N 1 3 315.477 2.459 20 0 DEADHO CC(C)C[C@@H](C)C[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192550256 797404866 /nfs/dbraw/zinc/40/48/66/797404866.db2.gz FYHSRQSGRRBYAH-ZBFHGGJFSA-N 1 3 306.454 2.167 20 0 DEADHO CC(C)C[C@@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192550256 797404870 /nfs/dbraw/zinc/40/48/70/797404870.db2.gz FYHSRQSGRRBYAH-ZBFHGGJFSA-N 1 3 306.454 2.167 20 0 DEADHO CC[N@H+](CC[C@@H](C)F)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001153854703 797410664 /nfs/dbraw/zinc/41/06/64/797410664.db2.gz RLSWLMWJGPFGAB-ZIAGYGMSSA-N 1 3 301.450 2.045 20 0 DEADHO CC[N@@H+](CC[C@@H](C)F)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001153854703 797410669 /nfs/dbraw/zinc/41/06/69/797410669.db2.gz RLSWLMWJGPFGAB-ZIAGYGMSSA-N 1 3 301.450 2.045 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(C)c2)C1 ZINC001192957497 797474850 /nfs/dbraw/zinc/47/48/50/797474850.db2.gz CDRUXJAHPKXEBV-GOSISDBHSA-N 1 3 317.477 2.370 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(C)c2)C1 ZINC001192957497 797474852 /nfs/dbraw/zinc/47/48/52/797474852.db2.gz CDRUXJAHPKXEBV-GOSISDBHSA-N 1 3 317.477 2.370 20 0 DEADHO CCN(CC)CC(=O)N1CCC(C[NH2+]Cc2ccsc2)CC1 ZINC001206654037 797710733 /nfs/dbraw/zinc/71/07/33/797710733.db2.gz UAGNETQJYJUZDF-UHFFFAOYSA-N 1 3 323.506 2.418 20 0 DEADHO [NH3+]C[C@]1(O)CCCCN(CCc2ccc(C(F)(F)F)cc2)C1 ZINC001205664130 797730135 /nfs/dbraw/zinc/73/01/35/797730135.db2.gz MELAQHIPYIODMI-OAHLLOKOSA-N 1 3 316.367 2.424 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCCN2C)c(Cl)c1 ZINC001155814146 797854202 /nfs/dbraw/zinc/85/42/02/797854202.db2.gz WZKFKFAGJOQYJJ-MRXNPFEDSA-N 1 3 323.868 2.339 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)N1CCC[N@H+](CCC(C)C)CC1 ZINC001196018143 797994581 /nfs/dbraw/zinc/99/45/81/797994581.db2.gz KVNAGNRJOKBDKJ-INIZCTEOSA-N 1 3 315.477 2.247 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)N1CCC[N@@H+](CCC(C)C)CC1 ZINC001196018143 797994586 /nfs/dbraw/zinc/99/45/86/797994586.db2.gz KVNAGNRJOKBDKJ-INIZCTEOSA-N 1 3 315.477 2.247 20 0 DEADHO CC[NH+](CC)CCCNC(=S)Nc1cnccc1N(C)C ZINC001196654937 798088411 /nfs/dbraw/zinc/08/84/11/798088411.db2.gz ILVSGUSSYHOMSS-UHFFFAOYSA-N 1 3 309.483 2.166 20 0 DEADHO CC[C@@H](C(=O)N1CCCN(CC[C@H](C)F)CC1)[NH+](CC)CC ZINC001197142009 798147608 /nfs/dbraw/zinc/14/76/08/798147608.db2.gz RSSZFVJXOAVCPC-HOTGVXAUSA-N 1 3 315.477 2.389 20 0 DEADHO CC/C=C/CCN1CCCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001197158090 798156479 /nfs/dbraw/zinc/15/64/79/798156479.db2.gz GICJRLQXIODRQT-LZCSOBMZSA-N 1 3 307.482 2.075 20 0 DEADHO CC/C=C/CCN1CCCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001197158090 798156482 /nfs/dbraw/zinc/15/64/82/798156482.db2.gz GICJRLQXIODRQT-LZCSOBMZSA-N 1 3 307.482 2.075 20 0 DEADHO CN(Cc1ccc(N2C[C@H]3CCC[N@H+](C)[C@H]3C2)nc1)C1CC1 ZINC001157272582 798175298 /nfs/dbraw/zinc/17/52/98/798175298.db2.gz ORGMAGNGIFNSSD-WBVHZDCISA-N 1 3 300.450 2.206 20 0 DEADHO CN(Cc1ccc(N2C[C@H]3CCC[N@@H+](C)[C@H]3C2)nc1)C1CC1 ZINC001157272582 798175301 /nfs/dbraw/zinc/17/53/01/798175301.db2.gz ORGMAGNGIFNSSD-WBVHZDCISA-N 1 3 300.450 2.206 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(c3ncccc3CN3CCCC3)C[C@H]21 ZINC001157281330 798176438 /nfs/dbraw/zinc/17/64/38/798176438.db2.gz FTWJSQSOOCFCBY-NVXWUHKLSA-N 1 3 300.450 2.208 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(c3ncccc3CN3CCCC3)C[C@H]21 ZINC001157281330 798176440 /nfs/dbraw/zinc/17/64/40/798176440.db2.gz FTWJSQSOOCFCBY-NVXWUHKLSA-N 1 3 300.450 2.208 20 0 DEADHO Clc1cc(N2CCCC[C@]23CCC[NH2+]C3)c2c(n1)CNCC2 ZINC001157472783 798213594 /nfs/dbraw/zinc/21/35/94/798213594.db2.gz JPLIIJXSNPOEJZ-QGZVFWFLSA-N 1 3 320.868 2.493 20 0 DEADHO CC(C)(C)C1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001157689260 798258299 /nfs/dbraw/zinc/25/82/99/798258299.db2.gz RKUUEFBFAWFMKH-HNNXBMFYSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)(C)C1CCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001157689260 798258302 /nfs/dbraw/zinc/25/83/02/798258302.db2.gz RKUUEFBFAWFMKH-HNNXBMFYSA-N 1 3 307.482 2.145 20 0 DEADHO CCC[N@H+]1C[C@H]2CN(c3ccc(CN4CCCC4)cn3)C[C@H]2C1 ZINC001157692519 798260122 /nfs/dbraw/zinc/26/01/22/798260122.db2.gz RKUKZVGGXCQRRH-HDICACEKSA-N 1 3 314.477 2.455 20 0 DEADHO CCC[N@@H+]1C[C@H]2CN(c3ccc(CN4CCCC4)cn3)C[C@H]2C1 ZINC001157692519 798260126 /nfs/dbraw/zinc/26/01/26/798260126.db2.gz RKUKZVGGXCQRRH-HDICACEKSA-N 1 3 314.477 2.455 20 0 DEADHO CC[C@@H]([NH2+]CCNC(=O)CN(C)C(C)C)c1ccc(F)cc1 ZINC001152433205 798309044 /nfs/dbraw/zinc/30/90/44/798309044.db2.gz XHISFFKNQSDSCM-MRXNPFEDSA-N 1 3 309.429 2.323 20 0 DEADHO CCC[NH2+][C@@H](CNC(=O)CN(C)CCC)c1ccccc1OC ZINC001198967347 798421610 /nfs/dbraw/zinc/42/16/10/798421610.db2.gz DJTLVAPXLRXHIF-INIZCTEOSA-N 1 3 321.465 2.194 20 0 DEADHO CCN1CCN(Cc2ccc(NC3=C[NH2+]CCC3)cc2)CC1 ZINC001159509618 798576631 /nfs/dbraw/zinc/57/66/31/798576631.db2.gz NHRMEWKRGDGOEN-UHFFFAOYSA-N 1 3 300.450 2.461 20 0 DEADHO CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001159628898 798590967 /nfs/dbraw/zinc/59/09/67/798590967.db2.gz QLILDSCBQAEROS-DOTOQJQBSA-N 1 3 307.482 2.265 20 0 DEADHO CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001159628898 798590972 /nfs/dbraw/zinc/59/09/72/798590972.db2.gz QLILDSCBQAEROS-DOTOQJQBSA-N 1 3 307.482 2.265 20 0 DEADHO C[C@@H]([NH2+]CCCNC(=O)C1(N(C)C)CCC1)c1ccccc1F ZINC001159861313 798619170 /nfs/dbraw/zinc/61/91/70/798619170.db2.gz MOWIHZIDLJPJPE-CQSZACIVSA-N 1 3 321.440 2.467 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159915004 798624557 /nfs/dbraw/zinc/62/45/57/798624557.db2.gz FUTFQAKSZOANNY-KRWDZBQOSA-N 1 3 321.440 2.070 20 0 DEADHO CCc1ccccc1C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159915022 798625210 /nfs/dbraw/zinc/62/52/10/798625210.db2.gz GFSCAUDVEHJMCK-GOSISDBHSA-N 1 3 317.477 2.185 20 0 DEADHO CC1CCC(C[NH2+]CCCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001159923818 798627073 /nfs/dbraw/zinc/62/70/73/798627073.db2.gz IXHQSOWPLQEVLH-DQPZFDDXSA-N 1 3 309.498 2.249 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)[C@H](C2CC2)N(C)C)cc1C ZINC001159932012 798628235 /nfs/dbraw/zinc/62/82/35/798628235.db2.gz MKEIIUHPLYCRKR-SFHVURJKSA-N 1 3 317.477 2.240 20 0 DEADHO CC[N@H+]1CC=C(CCNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001160130961 798651639 /nfs/dbraw/zinc/65/16/39/798651639.db2.gz AKIGHZHOCHPRBC-UHFFFAOYSA-N 1 3 307.482 2.409 20 0 DEADHO CC[N@@H+]1CC=C(CCNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001160130961 798651643 /nfs/dbraw/zinc/65/16/43/798651643.db2.gz AKIGHZHOCHPRBC-UHFFFAOYSA-N 1 3 307.482 2.409 20 0 DEADHO C[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@@H](c3ccccc3)N2)CC1 ZINC001160459605 798691128 /nfs/dbraw/zinc/69/11/28/798691128.db2.gz NRCXLRJQLOCDLB-ZWKOTPCHSA-N 1 3 315.461 2.328 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCC1=CC[N@H+](CCCF)CC1 ZINC001160518142 798698285 /nfs/dbraw/zinc/69/82/85/798698285.db2.gz GTMFGBOGCLADGM-UHFFFAOYSA-N 1 3 313.461 2.215 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCC1=CC[N@@H+](CCCF)CC1 ZINC001160518142 798698287 /nfs/dbraw/zinc/69/82/87/798698287.db2.gz GTMFGBOGCLADGM-UHFFFAOYSA-N 1 3 313.461 2.215 20 0 DEADHO CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@H]1CCC[C@H](c2ccccc2)N1 ZINC001160698480 798724502 /nfs/dbraw/zinc/72/45/02/798724502.db2.gz KPQRWPLTPQCOPD-KBAYOESNSA-N 1 3 315.461 2.328 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+][C@@H](C)c1ccc(F)cc1)N(C)C ZINC001160889469 798756384 /nfs/dbraw/zinc/75/63/84/798756384.db2.gz KGZXPJYCVXIKMW-XJKSGUPXSA-N 1 3 309.429 2.323 20 0 DEADHO N[C@@H](CC1CCC1)C(=O)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161428603 798855180 /nfs/dbraw/zinc/85/51/80/798855180.db2.gz LFRCMHFVXQTMBG-SFHVURJKSA-N 1 3 315.461 2.285 20 0 DEADHO C[C@H](CC(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001161442714 798860833 /nfs/dbraw/zinc/86/08/33/798860833.db2.gz FRXVSNZLKZKRAV-AEFFLSMTSA-N 1 3 317.477 2.322 20 0 DEADHO CN1CCC(N(C(=O)C[C@H]2CCC[NH2+]C2)C2CCCC2)CC1 ZINC001161453796 798862202 /nfs/dbraw/zinc/86/22/02/798862202.db2.gz MZJDTPJPPCTVFS-OAHLLOKOSA-N 1 3 307.482 2.242 20 0 DEADHO CCC(CC)C[NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001202495268 798979398 /nfs/dbraw/zinc/97/93/98/798979398.db2.gz BPCZGGJZDXLOSL-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)N(C)CC)C2 ZINC001110736789 798999938 /nfs/dbraw/zinc/99/99/38/798999938.db2.gz NJNIZFCOJLYNID-JJXSEGSLSA-N 1 3 309.498 2.484 20 0 DEADHO CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)N(C)CC)C2 ZINC001110736789 798999945 /nfs/dbraw/zinc/99/99/45/798999945.db2.gz NJNIZFCOJLYNID-JJXSEGSLSA-N 1 3 309.498 2.484 20 0 DEADHO CCCCCC[NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001202503320 799023556 /nfs/dbraw/zinc/02/35/56/799023556.db2.gz LAXRLPNJJDORRX-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC3=CCCCC3)C[C@H]21 ZINC001114489018 799147917 /nfs/dbraw/zinc/14/79/17/799147917.db2.gz XLTLJTUEHJGOLK-FVQHAEBGSA-N 1 3 319.493 2.264 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3=CCCCC3)C[C@H]21 ZINC001114489018 799147920 /nfs/dbraw/zinc/14/79/20/799147920.db2.gz XLTLJTUEHJGOLK-FVQHAEBGSA-N 1 3 319.493 2.264 20 0 DEADHO CC[NH2+]CCN(CCc1ccccc1)C(=O)CN(C)C1CCC1 ZINC001162832383 799185832 /nfs/dbraw/zinc/18/58/32/799185832.db2.gz QLOINDCDAIIIBR-UHFFFAOYSA-N 1 3 317.477 2.152 20 0 DEADHO [NH3+][C@@H]1Cc2ccccc2N(c2ccc3c(c2)COC32CNC2)C1 ZINC001162854445 799189860 /nfs/dbraw/zinc/18/98/60/799189860.db2.gz TZTWSHQUJIDNAI-OAHLLOKOSA-N 1 3 307.397 2.037 20 0 DEADHO CCC[NH2+]CCN(CCc1ccccc1)C(=O)Cc1c[nH]cn1 ZINC001162946372 799205711 /nfs/dbraw/zinc/20/57/11/799205711.db2.gz GJKVMPNSFCUYSP-UHFFFAOYSA-N 1 3 314.433 2.023 20 0 DEADHO CCN(CC)CCNC(=[NH2+])Nc1nccc2c3c([nH]c21)CCC3 ZINC001163128783 799253430 /nfs/dbraw/zinc/25/34/30/799253430.db2.gz CHQQTXWZBVITCX-UHFFFAOYSA-N 1 3 314.437 2.330 20 0 DEADHO CCC/C=C\CC[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001202668183 799354658 /nfs/dbraw/zinc/35/46/58/799354658.db2.gz RGTVHLUXSOPELZ-PLNGDYQASA-N 1 3 304.438 2.279 20 0 DEADHO [NH3+][C@@H]1CCc2c1cccc2N[C@H]1CCCC[C@@]12CNCCO2 ZINC001163650337 799394851 /nfs/dbraw/zinc/39/48/51/799394851.db2.gz OVIUBPHIWPMYSY-BPQIPLTHSA-N 1 3 301.434 2.346 20 0 DEADHO Cc1c(C)n(-c2ncnc3c2CNCC3)c2ccc(C[NH3+])cc12 ZINC001163756098 799425128 /nfs/dbraw/zinc/42/51/28/799425128.db2.gz TWTVPNMIBSUFCW-UHFFFAOYSA-N 1 3 307.401 2.142 20 0 DEADHO COC(OC)c1ccccc1NCC1(N(C)C)CC[NH+](C)CC1 ZINC001164210368 799539020 /nfs/dbraw/zinc/53/90/20/799539020.db2.gz BXFVQVZIEVYIGV-UHFFFAOYSA-N 1 3 321.465 2.416 20 0 DEADHO COC(=O)c1cc(NCC2(N(C)C)CC[NH+](C)CC2)ccc1C ZINC001164210838 799539687 /nfs/dbraw/zinc/53/96/87/799539687.db2.gz JMBHGEDLPKVVRU-UHFFFAOYSA-N 1 3 319.449 2.220 20 0 DEADHO CC(C)[C@H](C(=O)NCCC[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001166004808 799812365 /nfs/dbraw/zinc/81/23/65/799812365.db2.gz YWKDMUQFALQCDK-MRXNPFEDSA-N 1 3 309.429 2.008 20 0 DEADHO C[C@H]([NH2+]CCCNC(=O)CN1CCC[C@H]1C)c1ccccc1 ZINC001166627407 799904282 /nfs/dbraw/zinc/90/42/82/799904282.db2.gz VBTKSWKXEOGBAP-CVEARBPZSA-N 1 3 303.450 2.328 20 0 DEADHO c1c2ccccc2n(-c2ncc3c(n2)CCNC3)c1[C@H]1CCC[NH2+]1 ZINC001166654428 799911456 /nfs/dbraw/zinc/91/14/56/799911456.db2.gz SIZZUIDNGCJEKW-MRXNPFEDSA-N 1 3 319.412 2.491 20 0 DEADHO CCc1ccccc1C[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166667788 799915553 /nfs/dbraw/zinc/91/55/53/799915553.db2.gz IMHPACKJUGVYTP-MRXNPFEDSA-N 1 3 317.477 2.187 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001166676777 799917697 /nfs/dbraw/zinc/91/76/97/799917697.db2.gz CNSLXIRHNUHKDV-INIZCTEOSA-N 1 3 321.509 2.395 20 0 DEADHO CN(CC(=O)NCCC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)CC(C)(C)C ZINC001166744201 799937970 /nfs/dbraw/zinc/93/79/70/799937970.db2.gz LTUHZCHUFHCNDO-ZACQAIPSSA-N 1 3 323.525 2.496 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1C[C@@H]([NH2+]C/C=C\Cl)C12CCC2 ZINC001203523409 800069583 /nfs/dbraw/zinc/06/95/83/800069583.db2.gz QZLSEEJPRLXCTM-MVUUYHCISA-N 1 3 313.873 2.098 20 0 DEADHO COc1ccc(CN2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc1F ZINC001203794679 800124158 /nfs/dbraw/zinc/12/41/58/800124158.db2.gz LQOGRVVHMYPLIS-DLBZAZTESA-N 1 3 321.440 2.045 20 0 DEADHO CN(Cc1cc(Br)ccc1N1CC[NH2+]CC1)C1CC1 ZINC001205156035 800306882 /nfs/dbraw/zinc/30/68/82/800306882.db2.gz MJEHHKPKMPBWNX-UHFFFAOYSA-N 1 3 324.266 2.453 20 0 DEADHO COC(=O)c1ccc(OC)c(CN2CCC[C@@](F)(C[NH3+])CC2)c1 ZINC001205546059 800374169 /nfs/dbraw/zinc/37/41/69/800374169.db2.gz PVHJJFHVYLRZGI-KRWDZBQOSA-N 1 3 324.396 2.135 20 0 DEADHO [NH3+][C@H]1CCN(Cc2cccc(-c3cncnc3)c2)CC[C@@H]1F ZINC001206163982 800482813 /nfs/dbraw/zinc/48/28/13/800482813.db2.gz IKPRVVVDLXYLGD-IRXDYDNUSA-N 1 3 300.381 2.405 20 0 DEADHO Cn1cc(CN2CCC[C@@](C)(C[NH3+])CC2)c(C(F)(F)F)n1 ZINC001206319011 800508159 /nfs/dbraw/zinc/50/81/59/800508159.db2.gz XIHKEQMVIANUEB-CYBMUJFWSA-N 1 3 304.360 2.390 20 0 DEADHO C[C@]1(C[NH3+])CCCN(Cc2cnn3ccc(Cl)nc23)CC1 ZINC001206336142 800511129 /nfs/dbraw/zinc/51/11/29/800511129.db2.gz KCXASSZZWVMYAL-HNNXBMFYSA-N 1 3 307.829 2.334 20 0 DEADHO Cc1ccc(N2CCN(CCC3CC[NH+](C)CC3)CC2)nc1 ZINC001207484466 800764891 /nfs/dbraw/zinc/76/48/91/800764891.db2.gz LNBLYNCNQDHJTI-UHFFFAOYSA-N 1 3 302.466 2.244 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@H]1C)N(C)C ZINC001207652606 800799027 /nfs/dbraw/zinc/79/90/27/800799027.db2.gz BLMAXVNYGLHJPR-OAGGEKHMSA-N 1 3 315.477 2.149 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCCCF)C[C@H]1C)N(C)C ZINC001207652606 800799030 /nfs/dbraw/zinc/79/90/30/800799030.db2.gz BLMAXVNYGLHJPR-OAGGEKHMSA-N 1 3 315.477 2.149 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]CC2CC(C)C2)C1 ZINC001208447796 800984082 /nfs/dbraw/zinc/98/40/82/800984082.db2.gz QOFVXQCCLNECGV-UYSNPLJNSA-N 1 3 309.498 2.343 20 0 DEADHO CCc1cccc(CN2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001208492189 800995498 /nfs/dbraw/zinc/99/54/98/800995498.db2.gz HBDWFMUGPDBFIN-CRAIPNDOSA-N 1 3 317.477 2.137 20 0 DEADHO COC(=O)[C@H](C)C[N@@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC001208723145 801054747 /nfs/dbraw/zinc/05/47/47/801054747.db2.gz MKHKKZXGRNZJED-NJAFHUGGSA-N 1 3 316.445 2.249 20 0 DEADHO COC(=O)[C@H](C)C[N@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC001208723145 801054751 /nfs/dbraw/zinc/05/47/51/801054751.db2.gz MKHKKZXGRNZJED-NJAFHUGGSA-N 1 3 316.445 2.249 20 0 DEADHO CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001209640350 801243154 /nfs/dbraw/zinc/24/31/54/801243154.db2.gz AYFLPLWVZLEFFC-OSNZYPHYSA-N 1 3 307.482 2.265 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC=C(C)C)C1 ZINC001211258185 801536953 /nfs/dbraw/zinc/53/69/53/801536953.db2.gz ZUOGGINZPJDKOV-DLBZAZTESA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C)N1CCCC1 ZINC001211377253 801558656 /nfs/dbraw/zinc/55/86/56/801558656.db2.gz URKGZILKIMHPRH-KBAYOESNSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C)N1CCCC1 ZINC001211377253 801558661 /nfs/dbraw/zinc/55/86/61/801558661.db2.gz URKGZILKIMHPRH-KBAYOESNSA-N 1 3 321.509 2.343 20 0 DEADHO COc1ccc([C@@H](O)C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000305075418 801826068 /nfs/dbraw/zinc/82/60/68/801826068.db2.gz NLLZTVRCJPARFI-SFHVURJKSA-N 1 3 304.434 2.193 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCF)C1 ZINC001215774422 801903639 /nfs/dbraw/zinc/90/36/39/801903639.db2.gz OUOGLSWEPCZZKV-OAGGEKHMSA-N 1 3 313.461 2.045 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccccc2)C1 ZINC001216511194 801981739 /nfs/dbraw/zinc/98/17/39/801981739.db2.gz MDOSOEGUYNRSTN-SJLPKXTDSA-N 1 3 317.477 2.007 20 0 DEADHO CC(C)C[C@H](C)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216851890 802034130 /nfs/dbraw/zinc/03/41/30/802034130.db2.gz KHTZXAFLLZMIAR-GVDBMIGSSA-N 1 3 311.514 2.445 20 0 DEADHO Cc1cc(Cl)ccc1-c1nnc([C@]23C[NH2+]C[C@H]2CNCC3)o1 ZINC001217704492 802102921 /nfs/dbraw/zinc/10/29/21/802102921.db2.gz GKWSTRRUVLOTGO-BDJLRTHQSA-N 1 3 318.808 2.149 20 0 DEADHO C[NH2+][C@H]1CC[C@H](Oc2nc3onc(C)c3c3c2CNCC3)CC1 ZINC001218187696 802152277 /nfs/dbraw/zinc/15/22/77/802152277.db2.gz PHLWISVYJNTXMQ-HAQNSBGRSA-N 1 3 316.405 2.086 20 0 DEADHO N[C@@H](CCC[NH3+])C(=O)Nc1cc(-c2ccc(Cl)s2)on1 ZINC001218785525 802240489 /nfs/dbraw/zinc/24/04/89/802240489.db2.gz VUITXNOMSSNWKM-ZETCQYMHSA-N 1 3 314.798 2.061 20 0 DEADHO CC(C)(C[NH3+])c1ccc(NC(=O)C[C@@H]2CCNC[C@H]2F)cc1 ZINC001218898272 802254680 /nfs/dbraw/zinc/25/46/80/802254680.db2.gz MDDLJMUVQQFULP-SWLSCSKDSA-N 1 3 307.413 2.199 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccccc1-c1cnco1 ZINC001218927984 802260504 /nfs/dbraw/zinc/26/05/04/802260504.db2.gz NQJUECQTHCXNMZ-AWEZNQCLSA-N 1 3 316.405 2.339 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cccc2cccc(N)c21 ZINC001218919479 802260542 /nfs/dbraw/zinc/26/05/42/802260542.db2.gz AWQGJPXNJPUGOS-HNNXBMFYSA-N 1 3 314.433 2.420 20 0 DEADHO N[C@H](C(=O)Nc1ccc2c(c1)CC[NH2+]CC2)C1CCCCC1 ZINC001218936665 802261422 /nfs/dbraw/zinc/26/14/22/802261422.db2.gz CVPPJWMPUBGFBO-KRWDZBQOSA-N 1 3 301.434 2.221 20 0 DEADHO N[C@@H](CC1CCC1)C(=O)Nc1ccc(N2CCC[C@@H]([NH3+])C2)cc1 ZINC001219236690 802300874 /nfs/dbraw/zinc/30/08/74/802300874.db2.gz YRURJZJLTUDLRH-PBHICJAKSA-N 1 3 316.449 2.070 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2CCC[C@@H](c3ccccc3)N2)C1 ZINC001219649199 802358304 /nfs/dbraw/zinc/35/83/04/802358304.db2.gz GJUXVRPEXZKTOO-MVJTYMMSSA-N 1 3 315.461 2.232 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)c2ccccc21 ZINC001220333955 802444809 /nfs/dbraw/zinc/44/48/09/802444809.db2.gz YQQYIATYAQRIAZ-COXVUDFISA-N 1 3 313.445 2.225 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)c2ccccc21 ZINC001220333955 802444815 /nfs/dbraw/zinc/44/48/15/802444815.db2.gz YQQYIATYAQRIAZ-COXVUDFISA-N 1 3 313.445 2.225 20 0 DEADHO CC(C)C[C@@H](NC(=O)[C@@H](N)CCCC[NH+](C)C)c1ccccn1 ZINC001220718683 802490020 /nfs/dbraw/zinc/49/00/20/802490020.db2.gz GEUHKVOQIOGJTP-DOTOQJQBSA-N 1 3 320.481 2.344 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NC1CC2(C1)CC(F)(F)C2 ZINC001220736804 802492146 /nfs/dbraw/zinc/49/21/46/802492146.db2.gz TUAKUUQAALVXNQ-ZDUSSCGKSA-N 1 3 317.424 2.176 20 0 DEADHO N[C@H](C(=O)NC1(c2cccc3ccccc32)CC1)C1CC[NH2+]CC1 ZINC001220878831 802506966 /nfs/dbraw/zinc/50/69/66/802506966.db2.gz SKEZWHLJQPJHAA-SFHVURJKSA-N 1 3 323.440 2.272 20 0 DEADHO CC[C@H](C(=O)N1C[C@H]2CC[N@H+](CC3CCC3)C[C@H]21)N(CC)CC ZINC001221812044 802617716 /nfs/dbraw/zinc/61/77/16/802617716.db2.gz WDBULJJRPPVYNP-KZNAEPCWSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC3CCC3)C[C@H]21)N(CC)CC ZINC001221812044 802617720 /nfs/dbraw/zinc/61/77/20/802617720.db2.gz WDBULJJRPPVYNP-KZNAEPCWSA-N 1 3 321.509 2.440 20 0 DEADHO COc1cccc(CCC[N@@H+]2CCNC[C@@]3(CCCCN3)C2)c1 ZINC001222668468 802725218 /nfs/dbraw/zinc/72/52/18/802725218.db2.gz LLKYGCSYSSPAAC-IBGZPJMESA-N 1 3 317.477 2.045 20 0 DEADHO COc1cccc(CCC[N@H+]2CCNC[C@@]3(CCCCN3)C2)c1 ZINC001222668468 802725223 /nfs/dbraw/zinc/72/52/23/802725223.db2.gz LLKYGCSYSSPAAC-IBGZPJMESA-N 1 3 317.477 2.045 20 0 DEADHO COc1cccc(CCCN2CC[NH2+]C[C@@]3(CCCCN3)C2)c1 ZINC001222668468 802725228 /nfs/dbraw/zinc/72/52/28/802725228.db2.gz LLKYGCSYSSPAAC-IBGZPJMESA-N 1 3 317.477 2.045 20 0 DEADHO CN(C)C1(C(=O)NCC2CC[NH+](CC3CCCC3)CC2)CCC1 ZINC001223458112 802791983 /nfs/dbraw/zinc/79/19/83/802791983.db2.gz XAPDNRXSFYLMKW-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC001226819133 803164298 /nfs/dbraw/zinc/16/42/98/803164298.db2.gz VMQZUZVPVFMILS-IAGOWNOFSA-N 1 3 307.482 2.454 20 0 DEADHO CC[C@H](C(=O)NC1CC[NH+](CC2CC(C)(C)C2)CC1)N(C)C ZINC001227986945 803302321 /nfs/dbraw/zinc/30/23/21/803302321.db2.gz PUCNBCQINFILNV-MRXNPFEDSA-N 1 3 309.498 2.343 20 0 DEADHO CCCc1ccc(CN2CC[C@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001370017835 1149350738 /nfs/dbraw/zinc/35/07/38/1149350738.db2.gz OGPPXNWIQXIPBR-SFHVURJKSA-N 1 3 317.477 2.281 20 0 DEADHO C[C@@H](CNC(=O)CC[NH+](C)C)NCc1ccc(Cl)c(F)c1 ZINC001419849564 1168872226 /nfs/dbraw/zinc/87/22/26/1168872226.db2.gz YIOAVVIJDKQSJS-NSHDSACASA-N 1 3 315.820 2.025 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C)N(C)C ZINC001368353220 1148422494 /nfs/dbraw/zinc/42/24/94/1148422494.db2.gz WLOCNRFZVDNGSV-YVSFHVDLSA-N 1 3 309.498 2.342 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C)N(C)C ZINC001368353220 1148422497 /nfs/dbraw/zinc/42/24/97/1148422497.db2.gz WLOCNRFZVDNGSV-YVSFHVDLSA-N 1 3 309.498 2.342 20 0 DEADHO CC[NH2+]CC(C)(C)CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001424880816 1174007141 /nfs/dbraw/zinc/00/71/41/1174007141.db2.gz BUAITEPCEJYKJS-KRWDZBQOSA-N 1 3 315.477 2.293 20 0 DEADHO CC(C)(C)[C@]1(CN)CC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC001575116640 1069370623 /nfs/dbraw/zinc/37/06/23/1069370623.db2.gz VZROIHAOMIOIPA-MJGOQNOKSA-N 1 3 320.477 2.261 20 0 DEADHO CC(C)(C)[C@]1(CN)CC[N@@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC001575116640 1069370641 /nfs/dbraw/zinc/37/06/41/1069370641.db2.gz VZROIHAOMIOIPA-MJGOQNOKSA-N 1 3 320.477 2.261 20 0 DEADHO CC(C)(C)OC(=O)N1CCC(C[NH2+]CCCNC2CC2)CC1 ZINC001575183432 1069387804 /nfs/dbraw/zinc/38/78/04/1069387804.db2.gz IHRUSQPZMBZMRZ-UHFFFAOYSA-N 1 3 311.470 2.365 20 0 DEADHO CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001604054922 1070189297 /nfs/dbraw/zinc/18/92/97/1070189297.db2.gz MTKZINMIKMIXIP-CQDKDKBSSA-N 1 3 300.410 2.035 20 0 DEADHO CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001604054922 1070189301 /nfs/dbraw/zinc/18/93/01/1070189301.db2.gz MTKZINMIKMIXIP-CQDKDKBSSA-N 1 3 300.410 2.035 20 0 DEADHO Cc1ccccc1CN1CC([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001369091537 1148846840 /nfs/dbraw/zinc/84/68/40/1148846840.db2.gz PRYKEXMFRRYNNB-INIZCTEOSA-N 1 3 317.477 2.273 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]C/C=C/Cl)C[C@@H]1C ZINC001499858151 1058330391 /nfs/dbraw/zinc/33/03/91/1058330391.db2.gz RVYVLYJTACTHRD-MPCGPATOSA-N 1 3 301.862 2.048 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CCC(C)(C)C)C1 ZINC001499926043 1058382047 /nfs/dbraw/zinc/38/20/47/1058382047.db2.gz CZGMKHPOOBKZDZ-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]CCC(F)(F)F)C1)N(C)C ZINC001500393035 1058746348 /nfs/dbraw/zinc/74/63/48/1058746348.db2.gz KKQZTKUSDVZYJX-TZMCWYRMSA-N 1 3 323.403 2.107 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001464474601 1059139609 /nfs/dbraw/zinc/13/96/09/1059139609.db2.gz FSDVLQCHHKCPOZ-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CC[C@@H](C(=O)N(CC[NH2+]C(C)C)Cc1ccccc1)N(C)C ZINC001501197200 1059366878 /nfs/dbraw/zinc/36/68/78/1059366878.db2.gz DQNDNBHLEIGHFI-KRWDZBQOSA-N 1 3 305.466 2.353 20 0 DEADHO CC(C)(C(=O)NCCN1CCCC(C)(C)C1)[NH+]1CCCCC1 ZINC001467537842 1059652554 /nfs/dbraw/zinc/65/25/54/1059652554.db2.gz MGKAZDWKLQHPCA-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC[C@H](C)F)N(C)C ZINC001501889013 1059751838 /nfs/dbraw/zinc/75/18/38/1059751838.db2.gz IQPNBHNIEVXJCH-ZNMIVQPWSA-N 1 3 301.450 2.045 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CC2CCC2)CCC1 ZINC001502029400 1059884879 /nfs/dbraw/zinc/88/48/79/1059884879.db2.gz WMNKYFRTNVFOIX-GJZGRUSLSA-N 1 3 307.482 2.288 20 0 DEADHO CCC(CC)[C@H](CNC(=O)N[C@@H]1CCN(C)[C@H]1C)[NH+]1CCCC1 ZINC001471393673 1060215304 /nfs/dbraw/zinc/21/53/04/1060215304.db2.gz BDBCKTXTORFADY-UAGQMJEPSA-N 1 3 324.513 2.279 20 0 DEADHO CC/C=C\CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001502771764 1060286852 /nfs/dbraw/zinc/28/68/52/1060286852.db2.gz AQSKXIZXABGHHQ-OGZRUICASA-N 1 3 307.482 2.408 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1Cc1ccc(F)cc1 ZINC001479641302 1061552737 /nfs/dbraw/zinc/55/27/37/1061552737.db2.gz ULNBYWUHDKVODC-DLBZAZTESA-N 1 3 321.440 2.247 20 0 DEADHO CC[C@@H](F)C[NH2+]CC1(NC(=O)[C@@H](CC)N(C)C)CCCCC1 ZINC001506521645 1062077442 /nfs/dbraw/zinc/07/74/42/1062077442.db2.gz GMKVBORXQVEYBP-HUUCEWRRSA-N 1 3 315.477 2.483 20 0 DEADHO CC(C)[NH+]1CCC2(C[C@H]2NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001479985697 1062145591 /nfs/dbraw/zinc/14/55/91/1062145591.db2.gz UTPRLGUYGADBFN-OAHLLOKOSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001480168587 1062419670 /nfs/dbraw/zinc/41/96/70/1062419670.db2.gz PUUHAANONMQYAF-KKUMJFAQSA-N 1 3 321.440 2.465 20 0 DEADHO CC[C@H](F)CN[C@@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001480490304 1062935097 /nfs/dbraw/zinc/93/50/97/1062935097.db2.gz GJRVIPUJKIGWKM-KBPBESRZSA-N 1 3 315.477 2.482 20 0 DEADHO CC[C@H](F)CN[C@@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001480490304 1062935105 /nfs/dbraw/zinc/93/51/05/1062935105.db2.gz GJRVIPUJKIGWKM-KBPBESRZSA-N 1 3 315.477 2.482 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCCc1ccccc1 ZINC001480536669 1062998777 /nfs/dbraw/zinc/99/87/77/1062998777.db2.gz JDTGEWMHCAFGFQ-IAGOWNOFSA-N 1 3 317.477 2.055 20 0 DEADHO CC/C=C/CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001507312264 1063078129 /nfs/dbraw/zinc/07/81/29/1063078129.db2.gz HKACGSPWOCNKGY-DZEZYYDTSA-N 1 3 307.482 2.406 20 0 DEADHO CN(CC[NH2+]CC/C=C\c1ccccc1)C(=O)Cc1c[nH]cn1 ZINC001493709036 1063928807 /nfs/dbraw/zinc/92/88/07/1063928807.db2.gz MDHAUWRPTIYZJU-UITAMQMPSA-N 1 3 312.417 2.104 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@H](C)[NH2+]C/C=C/Cl)CC1 ZINC001493846493 1063988315 /nfs/dbraw/zinc/98/83/15/1063988315.db2.gz GWAZRGHLLDVZGA-GPAKFWEMSA-N 1 3 315.889 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([C@H](C)[NH2+]CCC2CC2)CC1 ZINC001493850424 1063992137 /nfs/dbraw/zinc/99/21/37/1063992137.db2.gz QFZUOBFRFRWMMZ-HNNXBMFYSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001494021298 1064087049 /nfs/dbraw/zinc/08/70/49/1064087049.db2.gz LQCIWHPGMMSOHN-INIZCTEOSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001494021298 1064087054 /nfs/dbraw/zinc/08/70/54/1064087054.db2.gz LQCIWHPGMMSOHN-INIZCTEOSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001494056017 1064106305 /nfs/dbraw/zinc/10/63/05/1064106305.db2.gz SPAIVSYRSXPRQR-IRXDYDNUSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001494056017 1064106307 /nfs/dbraw/zinc/10/63/07/1064106307.db2.gz SPAIVSYRSXPRQR-IRXDYDNUSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)=CCN(CCNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001567447629 1064202453 /nfs/dbraw/zinc/20/24/53/1064202453.db2.gz XPLNKAVDRBBPDN-UHFFFAOYSA-N 1 3 307.482 2.408 20 0 DEADHO CCCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(CC=C(C)C)C1 ZINC001567692883 1064348235 /nfs/dbraw/zinc/34/82/35/1064348235.db2.gz HPAQBTAORQNOOH-IAGOWNOFSA-N 1 3 307.482 2.217 20 0 DEADHO CCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CC=C(C)C)C1 ZINC001567692883 1064348244 /nfs/dbraw/zinc/34/82/44/1064348244.db2.gz HPAQBTAORQNOOH-IAGOWNOFSA-N 1 3 307.482 2.217 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H](CC[NH2+]CCCF)C1)N(C)C ZINC001568060639 1064624927 /nfs/dbraw/zinc/62/49/27/1064624927.db2.gz QOSJFWRNWXPMDA-CVEARBPZSA-N 1 3 315.477 2.151 20 0 DEADHO CC[C@@H](F)C[NH2+]CC1(NC(=O)CN2CC[C@H](C)C2)CCCC1 ZINC001495189209 1064753322 /nfs/dbraw/zinc/75/33/22/1064753322.db2.gz VMIIYAWLXBIQEV-LSDHHAIUSA-N 1 3 313.461 2.095 20 0 DEADHO C[C@@H](CC[NH2+]CC1CC(C)(C)C1)NC(=O)CN1CC[C@@H](C)C1 ZINC001568678760 1065043869 /nfs/dbraw/zinc/04/38/69/1065043869.db2.gz XWGNUIXVJZUQFH-CABCVRRESA-N 1 3 309.498 2.249 20 0 DEADHO CC(C)(C)CC(=O)N1CCC([NH2+]CCCN2CCCC2)CC1 ZINC001620701133 1078167381 /nfs/dbraw/zinc/16/73/81/1078167381.db2.gz BSMKOPFORHCLEB-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO COCCOCc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)cc1 ZINC001621108520 1078170177 /nfs/dbraw/zinc/17/01/77/1078170177.db2.gz REKMSRZJCCIOPT-GBESFXJTSA-N 1 3 318.461 2.279 20 0 DEADHO CC[N@H+](C)CCC(=O)N(C)[C@H](C)CNCc1cc(C)ccc1F ZINC001496196427 1065334960 /nfs/dbraw/zinc/33/49/60/1065334960.db2.gz QCVWLVBZKJLKRU-OAHLLOKOSA-N 1 3 323.456 2.412 20 0 DEADHO CC[N@@H+](C)CCC(=O)N(C)[C@H](C)CNCc1cc(C)ccc1F ZINC001496196427 1065334970 /nfs/dbraw/zinc/33/49/70/1065334970.db2.gz QCVWLVBZKJLKRU-OAHLLOKOSA-N 1 3 323.456 2.412 20 0 DEADHO CC[C@H](C(=O)N(C)CCC[NH2+]Cc1csc(C)c1)N(C)C ZINC001569214218 1065369072 /nfs/dbraw/zinc/36/90/72/1065369072.db2.gz ZKKSCMYIMFENEP-OAHLLOKOSA-N 1 3 311.495 2.335 20 0 DEADHO CCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001569478680 1065533733 /nfs/dbraw/zinc/53/37/33/1065533733.db2.gz MGWOZAXNQDFFCM-PKOBYXMFSA-N 1 3 321.509 2.443 20 0 DEADHO CCCCC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001569478680 1065533737 /nfs/dbraw/zinc/53/37/37/1065533737.db2.gz MGWOZAXNQDFFCM-PKOBYXMFSA-N 1 3 321.509 2.443 20 0 DEADHO CCN(CCNCc1ccc(Cl)s1)C(=O)CC[NH+](C)C ZINC001497446971 1066099503 /nfs/dbraw/zinc/09/95/03/1066099503.db2.gz DFQLGWHRBVLFTL-UHFFFAOYSA-N 1 3 317.886 2.291 20 0 DEADHO CCN(CC[NH2+]Cc1cccc(F)c1)C(=O)CN1CC[C@H](C)C1 ZINC001497454238 1066102393 /nfs/dbraw/zinc/10/23/93/1066102393.db2.gz KNGHDYFAXZQIAC-HNNXBMFYSA-N 1 3 321.440 2.106 20 0 DEADHO C[C@H](C[NH2+]CC1CCC(C)CC1)NC(=O)C1(N(C)C)CCC1 ZINC001497827376 1066350128 /nfs/dbraw/zinc/35/01/28/1066350128.db2.gz JOCDSORNGFBSFC-HWOWSKLDSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H](C[NH2+]CC1CCCCCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001497909749 1066408048 /nfs/dbraw/zinc/40/80/48/1066408048.db2.gz BZYMFCYKFZMNMS-JKSUJKDBSA-N 1 3 309.498 2.393 20 0 DEADHO Cc1ccc(C)c(C[NH2+]C[C@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001498053760 1066481260 /nfs/dbraw/zinc/48/12/60/1066481260.db2.gz RFPABRUHSKCRMA-INIZCTEOSA-N 1 3 317.477 2.382 20 0 DEADHO Cc1ccc(CC[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001498055992 1066481785 /nfs/dbraw/zinc/48/17/85/1066481785.db2.gz KOOMGONZPWXPCM-WMZOPIPTSA-N 1 3 319.493 2.218 20 0 DEADHO C[C@@H](C[NH2+]Cc1ccccc1)NC(=O)CN(C)CC(C)(C)C ZINC001498117415 1066513533 /nfs/dbraw/zinc/51/35/33/1066513533.db2.gz BEMVRBRLUNXZBA-HNNXBMFYSA-N 1 3 305.466 2.259 20 0 DEADHO C[C@@H]1CCN(C[C@H]2CC[NH2+]C2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001576729270 1066672685 /nfs/dbraw/zinc/67/26/85/1066672685.db2.gz IWYZLNXBDLXNEU-ILXRZTDVSA-N 1 3 311.470 2.079 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[N@H+](C)CC1CC(C)(C)C1 ZINC001498444233 1066707839 /nfs/dbraw/zinc/70/78/39/1066707839.db2.gz OHSGAIOVYIEOQE-LBPRGKRZSA-N 1 3 306.454 2.133 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[N@@H+](C)CC1CC(C)(C)C1 ZINC001498444233 1066707844 /nfs/dbraw/zinc/70/78/44/1066707844.db2.gz OHSGAIOVYIEOQE-LBPRGKRZSA-N 1 3 306.454 2.133 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[N@H+](C)CCCC1CCC1 ZINC001498442821 1066707888 /nfs/dbraw/zinc/70/78/88/1066707888.db2.gz HLBMSVWLQKSZRL-ZDUSSCGKSA-N 1 3 306.454 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[N@@H+](C)CCCC1CCC1 ZINC001498442821 1066707901 /nfs/dbraw/zinc/70/79/01/1066707901.db2.gz HLBMSVWLQKSZRL-ZDUSSCGKSA-N 1 3 306.454 2.277 20 0 DEADHO CC[C@@H](CNC(=O)[C@](C)(CC)C[NH3+])N1CCc2ccccc2C1 ZINC001577084702 1066759926 /nfs/dbraw/zinc/75/99/26/1066759926.db2.gz FJIUWTDENDDHIF-PKOBYXMFSA-N 1 3 317.477 2.315 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)C1([NH2+]C2CC2)CCC1 ZINC001577523798 1066866882 /nfs/dbraw/zinc/86/68/82/1066866882.db2.gz FIPMEZHUNGAFTH-UHFFFAOYSA-N 1 3 307.482 2.386 20 0 DEADHO CCN(C(=O)C[C@H]1NCc2ccccc21)[C@@H]1CC[N@H+](CC)C1 ZINC001577763849 1066923460 /nfs/dbraw/zinc/92/34/60/1066923460.db2.gz KYHXSNOULGIQFG-NVXWUHKLSA-N 1 3 301.434 2.164 20 0 DEADHO CCN(C(=O)C[C@H]1NCc2ccccc21)[C@@H]1CC[N@@H+](CC)C1 ZINC001577763849 1066923468 /nfs/dbraw/zinc/92/34/68/1066923468.db2.gz KYHXSNOULGIQFG-NVXWUHKLSA-N 1 3 301.434 2.164 20 0 DEADHO CC[NH2+][C@H](C)CN[C@@H]1CC[C@H](C(=O)OCC)[C@H](C(F)(F)F)C1 ZINC001577887104 1066942149 /nfs/dbraw/zinc/94/21/49/1066942149.db2.gz JHJJKPXXMSNCKO-FVCCEPFGSA-N 1 3 324.387 2.484 20 0 DEADHO CC[C@H]1[NH2+]CC[C@@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC001578240527 1067029824 /nfs/dbraw/zinc/02/98/24/1067029824.db2.gz CDYYURZEGGJUQA-SJORKVTESA-N 1 3 301.434 2.153 20 0 DEADHO CN(Cc1cc(-c2ccccc2)n[nH]1)C[C@]1(O)CCC[NH2+]CC1 ZINC001578486471 1067117959 /nfs/dbraw/zinc/11/79/59/1067117959.db2.gz XYVZURKOFYHVNH-SFHVURJKSA-N 1 3 314.433 2.013 20 0 DEADHO CN(C(=O)N[C@H](CCC[NH3+])c1ccccc1)[C@H]1CCCN(C)C1 ZINC001578528506 1067125132 /nfs/dbraw/zinc/12/51/32/1067125132.db2.gz HGARZUKHNGUPQL-DLBZAZTESA-N 1 3 318.465 2.202 20 0 DEADHO COCC[C@@H](N)C[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC001579003941 1067219230 /nfs/dbraw/zinc/21/92/30/1067219230.db2.gz OCNWWRVJWREMIB-GFCCVEGCSA-N 1 3 306.328 2.081 20 0 DEADHO COCC[C@H](N)C[NH2+]Cc1ccc(C)c(Br)c1 ZINC001579004910 1067219804 /nfs/dbraw/zinc/21/98/04/1067219804.db2.gz YAJIRMSDOVZKMP-LBPRGKRZSA-N 1 3 301.228 2.211 20 0 DEADHO C[C@H]1[NH2+]CCC[C@H]1N[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001579499432 1067354474 /nfs/dbraw/zinc/35/44/74/1067354474.db2.gz QAPMSQBXGJCNQE-CBBWQLFWSA-N 1 3 311.470 2.410 20 0 DEADHO [NH3+][C@@H]1C[C@H](NCCc2cnc3ccccc3c2)C12CCOCC2 ZINC001580162642 1067512991 /nfs/dbraw/zinc/51/29/91/1067512991.db2.gz CONWBCCSYPEQHD-MSOLQXFVSA-N 1 3 311.429 2.263 20 0 DEADHO NC[C@@]12C[N@H+](C[C@@H]3CCC4(CCOCC4)CO3)C[C@@H]1CCCC2 ZINC001580255109 1067542475 /nfs/dbraw/zinc/54/24/75/1067542475.db2.gz GTMMQLDGKWIJNO-LNLFQRSKSA-N 1 3 322.493 2.413 20 0 DEADHO NC[C@@]12C[N@@H+](C[C@@H]3CCC4(CCOCC4)CO3)C[C@@H]1CCCC2 ZINC001580255109 1067542485 /nfs/dbraw/zinc/54/24/85/1067542485.db2.gz GTMMQLDGKWIJNO-LNLFQRSKSA-N 1 3 322.493 2.413 20 0 DEADHO C[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C)c1ccccc1F ZINC001483456253 1078545429 /nfs/dbraw/zinc/54/54/29/1078545429.db2.gz QZMOSUBMNWHVBL-PBHICJAKSA-N 1 3 321.440 2.419 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCCF ZINC001267148172 1078613446 /nfs/dbraw/zinc/61/34/46/1078613446.db2.gz HXFHQYBJCMAKPD-GJZGRUSLSA-N 1 3 301.450 2.093 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCCCCF)[C@H]1C ZINC001571467091 1068317607 /nfs/dbraw/zinc/31/76/07/1068317607.db2.gz FRNBITVFBVCSKL-HUUCEWRRSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCCCCF)[C@@H]1C ZINC001571467092 1068317481 /nfs/dbraw/zinc/31/74/81/1068317481.db2.gz FRNBITVFBVCSKL-LSDHHAIUSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)=CCN(C)CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001571612074 1068439859 /nfs/dbraw/zinc/43/98/59/1068439859.db2.gz XDHREHCVEUVLFT-GOSISDBHSA-N 1 3 321.509 2.463 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001483650803 1078742119 /nfs/dbraw/zinc/74/21/19/1078742119.db2.gz IQZHDSAMLMFBJV-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001483650803 1078742125 /nfs/dbraw/zinc/74/21/25/1078742125.db2.gz IQZHDSAMLMFBJV-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CN1CC[C@@H]1CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001483681451 1078783422 /nfs/dbraw/zinc/78/34/22/1078783422.db2.gz LRMDIQDNBWJXNS-RHSMWYFYSA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)CN1CC[C@@H]1CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001483681451 1078783425 /nfs/dbraw/zinc/78/34/25/1078783425.db2.gz LRMDIQDNBWJXNS-RHSMWYFYSA-N 1 3 313.461 2.045 20 0 DEADHO C[C@H](C[NH2+]CC[C@H](C)F)NC(=O)C(C)(C)N1CCCCC1 ZINC001669293100 1081443275 /nfs/dbraw/zinc/44/32/75/1081443275.db2.gz JFFLDJQUJJHJNG-UONOGXRCSA-N 1 3 301.450 2.093 20 0 DEADHO CC(C)Cc1ccc([C@@H](CNC(=O)[C@@H]2CC[NH2+]C2)N(C)C)cc1 ZINC001573518483 1069026826 /nfs/dbraw/zinc/02/68/26/1069026826.db2.gz MEKLEGPWSYGKTB-QZTJIDSGSA-N 1 3 317.477 2.214 20 0 DEADHO CC(C)N(C(=O)CN1CCC([C@@H]2C[C@@H]2[NH3+])CC1)C1CCCC1 ZINC001573519709 1069027355 /nfs/dbraw/zinc/02/73/55/1069027355.db2.gz SEKQJZXORDFXRY-IRXDYDNUSA-N 1 3 307.482 2.225 20 0 DEADHO CC[C@@H]1CN(C(=O)NC[C@H](C)[NH+]2CCCCC2)[C@@H](CC)CN1 ZINC001573717812 1069077184 /nfs/dbraw/zinc/07/71/84/1069077184.db2.gz HUSZPCJMIQVGRR-XHSDSOJGSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)CC[NH2+]CCCc2ccccc2)C1 ZINC001267428847 1078846060 /nfs/dbraw/zinc/84/60/60/1078846060.db2.gz DYCMXKHTOBYRNN-KRWDZBQOSA-N 1 3 317.477 2.009 20 0 DEADHO CCCN1CCCC[C@H]1C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC001645728501 1078973748 /nfs/dbraw/zinc/97/37/48/1078973748.db2.gz LVCMBUVGITWWRL-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CCCN1CCCC[C@H]1C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC001645728501 1078973751 /nfs/dbraw/zinc/97/37/51/1078973751.db2.gz LVCMBUVGITWWRL-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)[C@H](C(=O)N1CCCC2(C[NH+](C3CCCC3)C2)C1)N(C)C ZINC001272608741 1079003757 /nfs/dbraw/zinc/00/37/57/1079003757.db2.gz WQHOCOWWPFNQJS-QGZVFWFLSA-N 1 3 321.509 2.440 20 0 DEADHO O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccccc1)c1ccc2c(c1)CNC2 ZINC001549209798 1073079697 /nfs/dbraw/zinc/07/96/97/1073079697.db2.gz VFHRDHYYKMGZKQ-OALUTQOASA-N 1 3 321.424 2.165 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CC(C)C)C1 ZINC001272651032 1079047332 /nfs/dbraw/zinc/04/73/32/1079047332.db2.gz BSPUXBQZUQXHNQ-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO [NH3+][C@H]1CCCC[C@H]1CC(=O)Nc1ccc2c(c1)OCCNC2 ZINC001549756144 1073254780 /nfs/dbraw/zinc/25/47/80/1073254780.db2.gz XFUYWXNRASRIIH-WFASDCNBSA-N 1 3 303.406 2.015 20 0 DEADHO N[C@H](CC1CC1)C(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC001550194457 1073487605 /nfs/dbraw/zinc/48/76/05/1073487605.db2.gz LVTWOTGIZOQUOC-HYVNUMGLSA-N 1 3 307.482 2.260 20 0 DEADHO C[C@@H](COc1ccccc1F)NC1CC[NH+](CC(C)(C)O)CC1 ZINC001646119926 1079108347 /nfs/dbraw/zinc/10/83/47/1079108347.db2.gz GNMOTGJKXJVOAU-AWEZNQCLSA-N 1 3 324.440 2.418 20 0 DEADHO CCCN1CCCC[C@@H]1C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC001646121227 1079109590 /nfs/dbraw/zinc/10/95/90/1079109590.db2.gz YGZYPQASLPYLAO-GOSISDBHSA-N 1 3 315.461 2.213 20 0 DEADHO CCC1([NH+]2CCC2)CCN(C(=O)c2ccc3c(c2)CNC3)CC1 ZINC001550230169 1073520473 /nfs/dbraw/zinc/52/04/73/1073520473.db2.gz YYUGCDZVUGJBRS-UHFFFAOYSA-N 1 3 313.445 2.380 20 0 DEADHO O=C(CCC[NH+]1CCCC1)NCC1(NCCC(F)(F)F)CC1 ZINC001483794386 1079125171 /nfs/dbraw/zinc/12/51/71/1079125171.db2.gz UAIKTTMGCQGVGC-UHFFFAOYSA-N 1 3 321.387 2.053 20 0 DEADHO Cc1c(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@@H]2O)ccnc1F ZINC001550666111 1073783231 /nfs/dbraw/zinc/78/32/31/1073783231.db2.gz PTSHRENLIOYTFA-CVYDXHPNSA-N 1 3 321.440 2.098 20 0 DEADHO Cc1c(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@@H]2O)ccnc1F ZINC001550666111 1073783236 /nfs/dbraw/zinc/78/32/36/1073783236.db2.gz PTSHRENLIOYTFA-CVYDXHPNSA-N 1 3 321.440 2.098 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CCCCCF)CCN1C(=O)Cc1c[nH]cn1 ZINC001671245083 1079179670 /nfs/dbraw/zinc/17/96/70/1079179670.db2.gz MBROHLIGZFOOBC-UONOGXRCSA-N 1 3 310.417 2.061 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CC[N@H+](CC2=CCCCC2)C1)N(C)C ZINC001481098541 1079181157 /nfs/dbraw/zinc/18/11/57/1079181157.db2.gz BLWUXSNGSDDZBO-DLBZAZTESA-N 1 3 307.482 2.265 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](CC2=CCCCC2)C1)N(C)C ZINC001481098541 1079181160 /nfs/dbraw/zinc/18/11/60/1079181160.db2.gz BLWUXSNGSDDZBO-DLBZAZTESA-N 1 3 307.482 2.265 20 0 DEADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCN(Cc2cccc(F)c2)C1 ZINC001481107669 1079192671 /nfs/dbraw/zinc/19/26/71/1079192671.db2.gz GMKFGJGPLCXRTI-INIZCTEOSA-N 1 3 321.440 2.106 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001481120942 1079217524 /nfs/dbraw/zinc/21/75/24/1079217524.db2.gz PHYFGWYRHVXFHD-OAHLLOKOSA-N 1 3 306.454 2.135 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[N@H+](CCCC(C)C)C1 ZINC001481120942 1079217530 /nfs/dbraw/zinc/21/75/30/1079217530.db2.gz PHYFGWYRHVXFHD-OAHLLOKOSA-N 1 3 306.454 2.135 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CCN3C3CCCC3)C[C@H]2C1 ZINC001551322132 1074167713 /nfs/dbraw/zinc/16/77/13/1074167713.db2.gz MEMZPDGBGCWJEB-JOCBIADPSA-N 1 3 319.493 2.192 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC001551422677 1074212599 /nfs/dbraw/zinc/21/25/99/1074212599.db2.gz LVJBJGKZFHPJIX-IXDOHACOSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001369276024 1148888377 /nfs/dbraw/zinc/88/83/77/1148888377.db2.gz MCMVYAMOOMVYDC-YOEHRIQHSA-N 1 3 315.477 2.291 20 0 DEADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CC1CCC2(CC2)CC1 ZINC001369276139 1148888705 /nfs/dbraw/zinc/88/87/05/1148888705.db2.gz BQEZPOXTVIMFNS-AWEZNQCLSA-N 1 3 318.465 2.359 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001649852790 1079265116 /nfs/dbraw/zinc/26/51/16/1079265116.db2.gz RVHIRQJFRMDLLQ-MRXNPFEDSA-N 1 3 307.482 2.276 20 0 DEADHO CC(C)CN(C(=O)[C@H]1C[C@@H]1C1CC[NH2+]CC1)C1CCN(C)CC1 ZINC001552161554 1074480154 /nfs/dbraw/zinc/48/01/54/1074480154.db2.gz WLJSFEQQEJZDQM-MSOLQXFVSA-N 1 3 321.509 2.201 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCN(C3CC3)C2)[C@H]1c1ccccc1 ZINC001552295303 1074524601 /nfs/dbraw/zinc/52/46/01/1074524601.db2.gz OREGAFCTALOYHY-BPQIPLTHSA-N 1 3 313.445 2.032 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(C3CC3)C2)[C@H]1c1ccccc1 ZINC001552295303 1074524612 /nfs/dbraw/zinc/52/46/12/1074524612.db2.gz OREGAFCTALOYHY-BPQIPLTHSA-N 1 3 313.445 2.032 20 0 DEADHO CC[C@@H]1C[C@@H]([NH2+]Cc2cccc(CN3CCN(C)CC3)c2)CO1 ZINC001649879007 1079280460 /nfs/dbraw/zinc/28/04/60/1079280460.db2.gz PPEVUPZIKCULOR-RTBURBONSA-N 1 3 317.477 2.091 20 0 DEADHO NC1(C(=O)N2CCC[C@@H]([C@H]3CCCC[NH2+]3)C2)CC2(CCC2)C1 ZINC001552437657 1074576114 /nfs/dbraw/zinc/57/61/14/1074576114.db2.gz ALALNOYTIIHGTF-HUUCEWRRSA-N 1 3 305.466 2.029 20 0 DEADHO CC(C)[C@@H]1CN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)CCN1C ZINC001552753551 1074648230 /nfs/dbraw/zinc/64/82/30/1074648230.db2.gz WTJMSQRYMBYYDS-SJORKVTESA-N 1 3 301.434 2.020 20 0 DEADHO Cc1cccc([C@H](C)[NH2+][C@H](C)CN(C)C(=O)Cc2c[nH]cn2)c1 ZINC001369278647 1148889577 /nfs/dbraw/zinc/88/95/77/1148889577.db2.gz KFYXZRKRIJHZOM-CABCVRRESA-N 1 3 314.433 2.458 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)[C@@]12CCC[C@H]1[NH2+]CC2 ZINC001552833373 1074671748 /nfs/dbraw/zinc/67/17/48/1074671748.db2.gz XLNGQPRKHAWRAJ-SJLPKXTDSA-N 1 3 317.433 2.228 20 0 DEADHO CC(C)CN(C(=O)[C@]12CCC[C@@H]1[NH2+]CC2)C1CCN(C)CC1 ZINC001552839900 1074674706 /nfs/dbraw/zinc/67/47/06/1074674706.db2.gz XMJFJDAEYXXJNR-WMZOPIPTSA-N 1 3 307.482 2.097 20 0 DEADHO CN(C(=O)c1cc2c(s1)CCNC2)C1(C[NH3+])CCCCC1 ZINC001552919825 1074695051 /nfs/dbraw/zinc/69/50/51/1074695051.db2.gz JQWFJLFUIGYABT-UHFFFAOYSA-N 1 3 307.463 2.127 20 0 DEADHO COC1(C[NH2+]Cc2cccc(CN3CCN(C)CC3)c2)CCC1 ZINC001649958342 1079322209 /nfs/dbraw/zinc/32/22/09/1079322209.db2.gz FPPSQMUIDDENOU-UHFFFAOYSA-N 1 3 317.477 2.093 20 0 DEADHO Fc1ccc(O[C@@H]2CCN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)cc1 ZINC001553304659 1074834964 /nfs/dbraw/zinc/83/49/64/1074834964.db2.gz JKLNTSFIEXXGKU-FGTMMUONSA-N 1 3 320.408 2.047 20 0 DEADHO CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CN(C)CCC)C1 ZINC001484195744 1079352924 /nfs/dbraw/zinc/35/29/24/1079352924.db2.gz KJAIFDDTYLLZPP-AWEZNQCLSA-N 1 3 319.440 2.202 20 0 DEADHO CCCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CN(C)CCC)C1 ZINC001484195744 1079352928 /nfs/dbraw/zinc/35/29/28/1079352928.db2.gz KJAIFDDTYLLZPP-AWEZNQCLSA-N 1 3 319.440 2.202 20 0 DEADHO COCCN(C)CCC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001560264784 1075135859 /nfs/dbraw/zinc/13/58/59/1075135859.db2.gz OKRYDSZLEGSEKO-PKOBYXMFSA-N 1 3 319.493 2.065 20 0 DEADHO CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN1CC[C@H](C)C1 ZINC001565972899 1075211965 /nfs/dbraw/zinc/21/19/65/1075211965.db2.gz NXMXTJRBFQDVKR-IKGGRYGDSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)=CCN1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001566092937 1075228772 /nfs/dbraw/zinc/22/87/72/1075228772.db2.gz OUNLFOHMZFTHSV-IKGGRYGDSA-N 1 3 307.482 2.406 20 0 DEADHO CC(C)=CCN1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001566092937 1075228776 /nfs/dbraw/zinc/22/87/76/1075228776.db2.gz OUNLFOHMZFTHSV-IKGGRYGDSA-N 1 3 307.482 2.406 20 0 DEADHO CCC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001566792929 1075346489 /nfs/dbraw/zinc/34/64/89/1075346489.db2.gz CVVAUNIUKCHFHR-LKMCHIHVSA-N 1 3 307.482 2.454 20 0 DEADHO CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001567116290 1075435897 /nfs/dbraw/zinc/43/58/97/1075435897.db2.gz MUQVIBXDHUXXPI-JEZUCGJFSA-N 1 3 307.482 2.265 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001567154479 1075447244 /nfs/dbraw/zinc/44/72/44/1075447244.db2.gz FLHBALZGAKVJEE-OVUXIIJLSA-N 1 3 313.873 2.051 20 0 DEADHO C[C@H](CCNC(=O)C(C)(C)N1CCCCC1)[NH2+]CCCF ZINC001567214922 1075465541 /nfs/dbraw/zinc/46/55/41/1075465541.db2.gz HSWVPROOBWTUKA-CQSZACIVSA-N 1 3 301.450 2.095 20 0 DEADHO [NH3+][C@@H]1CC[C@H](CNC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC001580388638 1075914769 /nfs/dbraw/zinc/91/47/69/1075914769.db2.gz RGPFAZSMYJWSGC-DLBZAZTESA-N 1 3 322.497 2.021 20 0 DEADHO C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC001589978287 1076542563 /nfs/dbraw/zinc/54/25/63/1076542563.db2.gz LNCWKEQNDBYOQA-GVXVVHGQSA-N 1 3 318.400 2.174 20 0 DEADHO C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(-c2nn[n-]n2)cc1F ZINC001589978287 1076542569 /nfs/dbraw/zinc/54/25/69/1076542569.db2.gz LNCWKEQNDBYOQA-GVXVVHGQSA-N 1 3 318.400 2.174 20 0 DEADHO CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590471349 1076635818 /nfs/dbraw/zinc/63/58/18/1076635818.db2.gz CMCQZDAJYVKTHA-RCBQFDQVSA-N 1 3 314.437 2.425 20 0 DEADHO CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590471349 1076635819 /nfs/dbraw/zinc/63/58/19/1076635819.db2.gz CMCQZDAJYVKTHA-RCBQFDQVSA-N 1 3 314.437 2.425 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1)N(C)C ZINC001484572449 1079666198 /nfs/dbraw/zinc/66/61/98/1079666198.db2.gz YWMVHQCRBAIDTN-BRWVUGGUSA-N 1 3 309.498 2.247 20 0 DEADHO CCCC[NH2+][C@H](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001481342236 1079736070 /nfs/dbraw/zinc/73/60/70/1079736070.db2.gz NGYGJBZTNUZCRK-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(CCC(F)(F)F)CC1 ZINC001484723388 1079747435 /nfs/dbraw/zinc/74/74/35/1079747435.db2.gz GPOFMOJLLFAADY-CYBMUJFWSA-N 1 3 323.403 2.251 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(CCC(F)(F)F)CC1 ZINC001484723388 1079747440 /nfs/dbraw/zinc/74/74/40/1079747440.db2.gz GPOFMOJLLFAADY-CYBMUJFWSA-N 1 3 323.403 2.251 20 0 DEADHO C[C@H](F)CC[N@H+](C)CCCN(C)C(=O)CN1CCC(C)CC1 ZINC001484761260 1079773468 /nfs/dbraw/zinc/77/34/68/1079773468.db2.gz CIWYHBAUXLZLRJ-INIZCTEOSA-N 1 3 315.477 2.247 20 0 DEADHO C[C@H](F)CC[N@@H+](C)CCCN(C)C(=O)CN1CCC(C)CC1 ZINC001484761260 1079773476 /nfs/dbraw/zinc/77/34/76/1079773476.db2.gz CIWYHBAUXLZLRJ-INIZCTEOSA-N 1 3 315.477 2.247 20 0 DEADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]CCCCCF ZINC001484890068 1079839341 /nfs/dbraw/zinc/83/93/41/1079839341.db2.gz ZDPOQLHOLRSDFK-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCCC2CCC2)C1 ZINC001484904489 1079852114 /nfs/dbraw/zinc/85/21/14/1079852114.db2.gz KFOLKZAMVHOECV-DOTOQJQBSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC(C)C ZINC001485045157 1079928322 /nfs/dbraw/zinc/92/83/22/1079928322.db2.gz NKWGJWMIJIROOT-IEBWSBKVSA-N 1 3 317.477 2.356 20 0 DEADHO CC[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccccc2C)C1)N(C)C ZINC001485103265 1079975794 /nfs/dbraw/zinc/97/57/94/1079975794.db2.gz LCTOIWDCLHUFCO-VJFUWPCTSA-N 1 3 317.477 2.320 20 0 DEADHO CCCN(C)CC(=O)N(C)C1CCC([NH2+]C[C@H](F)CC)CC1 ZINC001485242595 1080091878 /nfs/dbraw/zinc/09/18/78/1080091878.db2.gz KZWVQFJJPZWECN-QQFBHYJXSA-N 1 3 315.477 2.436 20 0 DEADHO CC[C@@H](c1ccccc1)N1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001481676492 1080287607 /nfs/dbraw/zinc/28/76/07/1080287607.db2.gz HXMWPMCZQULVNB-BZSNNMDCSA-N 1 3 315.461 2.375 20 0 DEADHO CC[C@H](F)CN(C)CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001660321745 1080310169 /nfs/dbraw/zinc/31/01/69/1080310169.db2.gz KWZZPDNIQLKADA-JKSUJKDBSA-N 1 3 315.477 2.436 20 0 DEADHO CC[C@H](F)CN(C)CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001660321745 1080310176 /nfs/dbraw/zinc/31/01/76/1080310176.db2.gz KWZZPDNIQLKADA-JKSUJKDBSA-N 1 3 315.477 2.436 20 0 DEADHO CC(C)=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CN(C)C1CCC1 ZINC001485814638 1080491049 /nfs/dbraw/zinc/49/10/49/1080491049.db2.gz TVICNBJDLTTXFW-QGZVFWFLSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)=CC[N@H+]1CCC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001661739737 1080514574 /nfs/dbraw/zinc/51/45/74/1080514574.db2.gz RIMZESONTKIRQK-DLBZAZTESA-N 1 3 307.482 2.123 20 0 DEADHO CC(C)=CC[N@@H+]1CCC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001661739737 1080514578 /nfs/dbraw/zinc/51/45/78/1080514578.db2.gz RIMZESONTKIRQK-DLBZAZTESA-N 1 3 307.482 2.123 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)CCNC/C=C/Cl ZINC001268457359 1080520179 /nfs/dbraw/zinc/52/01/79/1080520179.db2.gz YCXUZAXAYWXDCJ-OWNNVSBGSA-N 1 3 301.862 2.051 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)N(CC)CCNC/C=C/Cl ZINC001268457359 1080520185 /nfs/dbraw/zinc/52/01/85/1080520185.db2.gz YCXUZAXAYWXDCJ-OWNNVSBGSA-N 1 3 301.862 2.051 20 0 DEADHO CC(C)=CCN1CCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001661881171 1080540450 /nfs/dbraw/zinc/54/04/50/1080540450.db2.gz UWPDYBGGRAYGMQ-MRXNPFEDSA-N 1 3 307.482 2.265 20 0 DEADHO CC[C@@H](F)C[NH2+]CCN(CC)C(=O)[C@H]1CCCCN1CC ZINC001268499664 1080648349 /nfs/dbraw/zinc/64/83/49/1080648349.db2.gz OLUNBIFVZLEZFY-HUUCEWRRSA-N 1 3 301.450 2.047 20 0 DEADHO CC(C)=CC[N@@H+](C)[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001662861597 1080667902 /nfs/dbraw/zinc/66/79/02/1080667902.db2.gz BSKLXRXTSYSEAD-SJORKVTESA-N 1 3 307.482 2.217 20 0 DEADHO CC(C)=CC[N@H+](C)[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001662861597 1080667907 /nfs/dbraw/zinc/66/79/07/1080667907.db2.gz BSKLXRXTSYSEAD-SJORKVTESA-N 1 3 307.482 2.217 20 0 DEADHO CN(CC[NH2+]C/C=C/c1ccccc1)C(=O)CN(C)C1CCC1 ZINC001663986109 1080845649 /nfs/dbraw/zinc/84/56/49/1080845649.db2.gz YNZSHRHDBIYWGG-JXMROGBWSA-N 1 3 315.461 2.232 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]C[C@H](C)CNC(=O)CN(C)C(C)C ZINC001482173360 1080880934 /nfs/dbraw/zinc/88/09/34/1080880934.db2.gz JYGKZTFQQNMNTQ-AWEZNQCLSA-N 1 3 323.456 2.316 20 0 DEADHO CCCN(C)CC(=O)NC/C=C\C[NH2+][C@@H]1CCc2ccccc21 ZINC001268616269 1080891207 /nfs/dbraw/zinc/89/12/07/1080891207.db2.gz LHQNNGTUVNCIBE-HPFMTEOYSA-N 1 3 315.461 2.278 20 0 DEADHO CC(C)[C@H](C(=O)NC/C=C\C[NH2+]Cc1ccccc1)N(C)C ZINC001268616384 1080891513 /nfs/dbraw/zinc/89/15/13/1080891513.db2.gz MIASCZCUHPFBAO-XZVRFQMRSA-N 1 3 303.450 2.035 20 0 DEADHO CC[C@H](C(=O)NC/C=C/C[NH2+][C@@H](C)c1ccccc1)N(C)C ZINC001268621168 1080898388 /nfs/dbraw/zinc/89/83/88/1080898388.db2.gz ZNLIZQAAWPJRAH-ZMMKQQPBSA-N 1 3 303.450 2.350 20 0 DEADHO C[C@H](C[NH2+]CCC1=CCCCC1)N(C)C(=O)CN1CCCC1 ZINC001667053160 1081205910 /nfs/dbraw/zinc/20/59/10/1081205910.db2.gz BGBAWORRJCJINQ-MRXNPFEDSA-N 1 3 307.482 2.409 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CC[NH2+]Cc1ccccc1C ZINC001668288803 1081338095 /nfs/dbraw/zinc/33/80/95/1081338095.db2.gz NPJKPHOJSVFMBC-CQSZACIVSA-N 1 3 314.433 2.254 20 0 DEADHO Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)CN(C)C(C)C)cc1 ZINC001668320049 1081341175 /nfs/dbraw/zinc/34/11/75/1081341175.db2.gz NREYAUCMULSRHU-MRXNPFEDSA-N 1 3 305.466 2.320 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]CCc1ccccc1 ZINC001270175261 1081466263 /nfs/dbraw/zinc/46/62/63/1081466263.db2.gz XECSTYDTTPUHRG-SFHVURJKSA-N 1 3 317.477 2.152 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]CCC2CC2)C1 ZINC001674396324 1081865735 /nfs/dbraw/zinc/86/57/35/1081865735.db2.gz FPJIZYPBTQOGPS-RDJZCZTQSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H](C(=O)N1CCCC2(C[NH+](C3CCCC3)C2)C1)N1CCCC1 ZINC001271214550 1081991870 /nfs/dbraw/zinc/99/18/70/1081991870.db2.gz VFDWYMCKDSWXRO-INIZCTEOSA-N 1 3 319.493 2.338 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@H]1CC[NH2+]CCCF)N(C)C ZINC001271577737 1082084351 /nfs/dbraw/zinc/08/43/51/1082084351.db2.gz VDXKAWNGHYRAMR-GJZGRUSLSA-N 1 3 301.450 2.047 20 0 DEADHO C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)[C@H]1CNCCF ZINC001271759303 1082147813 /nfs/dbraw/zinc/14/78/13/1082147813.db2.gz OYAUBUIHZUAFBA-CVEARBPZSA-N 1 3 313.461 2.049 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1)N(C)C ZINC001266622466 1082227995 /nfs/dbraw/zinc/22/79/95/1082227995.db2.gz FQLSDQXABZVRRR-ULQDDVLXSA-N 1 3 307.482 2.454 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]([NH2+]CC1CCCC1)C(C)C ZINC001482568132 1082239372 /nfs/dbraw/zinc/23/93/72/1082239372.db2.gz OOJSKIHGXWIWNF-MRXNPFEDSA-N 1 3 306.454 2.181 20 0 DEADHO C[C@@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482649021 1082433202 /nfs/dbraw/zinc/43/32/02/1082433202.db2.gz GDQSMCSTQZATBS-GOEBONIOSA-N 1 3 321.440 2.229 20 0 DEADHO C[C@@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482649021 1082433207 /nfs/dbraw/zinc/43/32/07/1082433207.db2.gz GDQSMCSTQZATBS-GOEBONIOSA-N 1 3 321.440 2.229 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001482693785 1082487416 /nfs/dbraw/zinc/48/74/16/1082487416.db2.gz NNJCNNLPHMODEM-STQMWFEESA-N 1 3 323.403 2.155 20 0 DEADHO Cc1ccc(CN(C)CCN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC001496782054 1082520322 /nfs/dbraw/zinc/52/03/22/1082520322.db2.gz WALNWNTVLSZHEW-QGZVFWFLSA-N 1 3 317.477 2.227 20 0 DEADHO Cc1ccc(CN(C)CCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001496782054 1082520324 /nfs/dbraw/zinc/52/03/24/1082520324.db2.gz WALNWNTVLSZHEW-QGZVFWFLSA-N 1 3 317.477 2.227 20 0 DEADHO C[C@H](CC[NH2+]CC=C(Cl)Cl)NC(=O)C1(N(C)C)CCC1 ZINC001482839665 1082526920 /nfs/dbraw/zinc/52/69/20/1082526920.db2.gz MABCHPMLKMUQAT-LLVKDONJSA-N 1 3 322.280 2.274 20 0 DEADHO Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)CN2CC[C@H](C)C2)cc1 ZINC001482871636 1082538920 /nfs/dbraw/zinc/53/89/20/1082538920.db2.gz QMBFYLCFMSWNQT-DLBZAZTESA-N 1 3 317.477 2.321 20 0 DEADHO CCN(CCNC/C=C\Cl)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001482961026 1082580951 /nfs/dbraw/zinc/58/09/51/1082580951.db2.gz XXABKQIFELTGJE-YVMONPNESA-N 1 3 315.889 2.297 20 0 DEADHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCCc1ccsc1 ZINC001483045793 1082657859 /nfs/dbraw/zinc/65/78/59/1082657859.db2.gz YRESGFAKDCPBKI-RXYHWBRQSA-N 1 3 321.490 2.037 20 0 DEADHO C[C@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)C1(N(C)C)CCC1 ZINC001483135713 1082768635 /nfs/dbraw/zinc/76/86/35/1082768635.db2.gz OSHYIWNGPBWNHJ-CQSZACIVSA-N 1 3 307.482 2.145 20 0 DEADHO c1n[nH]cc1CN1CC[C@H]2C[N@H+](C[C@H]3CCCCO3)C[C@H]2CC1 ZINC001276444349 1083437156 /nfs/dbraw/zinc/43/71/56/1083437156.db2.gz SOQPNQISUQEDKN-FGTMMUONSA-N 1 3 318.465 2.123 20 0 DEADHO c1n[nH]cc1CN1CC[C@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@H]2CC1 ZINC001276444349 1083437164 /nfs/dbraw/zinc/43/71/64/1083437164.db2.gz SOQPNQISUQEDKN-FGTMMUONSA-N 1 3 318.465 2.123 20 0 DEADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCC1)CC2)N(C)C ZINC001107554998 1083478003 /nfs/dbraw/zinc/47/80/03/1083478003.db2.gz PZOFVMRMTDZKHY-YQVWRLOYSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCC1)CC2)N(C)C ZINC001107554998 1083478007 /nfs/dbraw/zinc/47/80/07/1083478007.db2.gz PZOFVMRMTDZKHY-YQVWRLOYSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC1CC1)CC2)N(C)C ZINC001107553105 1083478771 /nfs/dbraw/zinc/47/87/71/1083478771.db2.gz BQQRWLOAMKCRDP-YQVWRLOYSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC1CC1)CC2)N(C)C ZINC001107553105 1083478774 /nfs/dbraw/zinc/47/87/74/1083478774.db2.gz BQQRWLOAMKCRDP-YQVWRLOYSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)NC(=O)N1CC2(C1)CCC[N@H+](CC(C)(C)CN(C)C)C2 ZINC001276658876 1083538302 /nfs/dbraw/zinc/53/83/02/1083538302.db2.gz YVBNIQIHZYTYCW-UHFFFAOYSA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)NC(=O)N1CC2(C1)CCC[N@@H+](CC(C)(C)CN(C)C)C2 ZINC001276658876 1083538314 /nfs/dbraw/zinc/53/83/14/1083538314.db2.gz YVBNIQIHZYTYCW-UHFFFAOYSA-N 1 3 324.513 2.090 20 0 DEADHO CCN(CC)CC[C@H](C)[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC001462670247 1083793255 /nfs/dbraw/zinc/79/32/55/1083793255.db2.gz AOIAXMFMIJNEAG-FHERZECASA-N 1 3 318.527 2.300 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCCF ZINC001229232308 1083929355 /nfs/dbraw/zinc/92/93/55/1083929355.db2.gz ZODIWJUBHFAWEW-HZPDHXFCSA-N 1 3 315.477 2.485 20 0 DEADHO CN(CC(=O)N1CCC[C@H](C[NH2+]CCC2CC2)C1)C1CCC1 ZINC001491153969 1084114063 /nfs/dbraw/zinc/11/40/63/1084114063.db2.gz OVYRADNNBXIHDL-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO CN(CC(=O)N1CCC[C@H](C[NH2+]CCCF)C1)CC(C)(C)C ZINC001491174218 1084130393 /nfs/dbraw/zinc/13/03/93/1084130393.db2.gz WXNBFFURTHVPBM-OAHLLOKOSA-N 1 3 315.477 2.152 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1 ZINC001491473818 1084334232 /nfs/dbraw/zinc/33/42/32/1084334232.db2.gz MQPUTTBAJMQBKI-RDJZCZTQSA-N 1 3 303.450 2.155 20 0 DEADHO C[C@H](Cc1ccc2c(c1)OCO2)CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235255748 1084360016 /nfs/dbraw/zinc/36/00/16/1084360016.db2.gz OEXQTIZDYBFXAA-VNQPRFMTSA-N 1 3 302.418 2.278 20 0 DEADHO Cc1cc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)cc(C)c1OCCO ZINC001235375007 1084410301 /nfs/dbraw/zinc/41/03/01/1084410301.db2.gz OESYJWYYAJFGTG-LJQANCHMSA-N 1 3 318.461 2.202 20 0 DEADHO Cc1cc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)cc(C)c1OCCO ZINC001235375007 1084410307 /nfs/dbraw/zinc/41/03/07/1084410307.db2.gz OESYJWYYAJFGTG-LJQANCHMSA-N 1 3 318.461 2.202 20 0 DEADHO Cc1cc(CN2CC3(C2)CC[NH+](C)CC3)cc(C)c1OCCO ZINC001235376745 1084413167 /nfs/dbraw/zinc/41/31/67/1084413167.db2.gz TZXGXHAXELANTJ-UHFFFAOYSA-N 1 3 318.461 2.202 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CCN1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001235714907 1084510229 /nfs/dbraw/zinc/51/02/29/1084510229.db2.gz MMAPNRTWKVNUTL-WMZOPIPTSA-N 1 3 317.477 2.307 20 0 DEADHO CCOC(=O)[C@]12CN(Cc3ccccc3CC)C[C@H]1C[NH2+]CC2 ZINC001236037737 1084595710 /nfs/dbraw/zinc/59/57/10/1084595710.db2.gz BQDCFJPESKBNND-IEBWSBKVSA-N 1 3 316.445 2.224 20 0 DEADHO CCOC(=O)c1ccc(CCC[N@@H+]2C[C@H](C)C[C@@H](N)C2)cc1 ZINC001236045023 1084597069 /nfs/dbraw/zinc/59/70/69/1084597069.db2.gz RNKWSDLKTIDHHI-RHSMWYFYSA-N 1 3 304.434 2.465 20 0 DEADHO CCOC(=O)c1ccc(CCC[N@H+]2C[C@H](C)C[C@@H](N)C2)cc1 ZINC001236045023 1084597076 /nfs/dbraw/zinc/59/70/76/1084597076.db2.gz RNKWSDLKTIDHHI-RHSMWYFYSA-N 1 3 304.434 2.465 20 0 DEADHO Cc1ccc(C[N@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)s1 ZINC001272933490 1084860587 /nfs/dbraw/zinc/86/05/87/1084860587.db2.gz BDSZBHWXAWQFHN-QGZVFWFLSA-N 1 3 321.490 2.043 20 0 DEADHO Cc1ccc(C[N@@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)s1 ZINC001272933490 1084860593 /nfs/dbraw/zinc/86/05/93/1084860593.db2.gz BDSZBHWXAWQFHN-QGZVFWFLSA-N 1 3 321.490 2.043 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@H]2C[N@H+](C)CC2CCC2)CCC1 ZINC000960679626 1085410563 /nfs/dbraw/zinc/41/05/63/1085410563.db2.gz JLIDVLOANBPTJP-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@H]2C[N@@H+](C)CC2CCC2)CCC1 ZINC000960679626 1085410573 /nfs/dbraw/zinc/41/05/73/1085410573.db2.gz JLIDVLOANBPTJP-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961182310 1085628626 /nfs/dbraw/zinc/62/86/26/1085628626.db2.gz LBGYJNADXBXVCA-SJORKVTESA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961182310 1085628629 /nfs/dbraw/zinc/62/86/29/1085628629.db2.gz LBGYJNADXBXVCA-SJORKVTESA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961265089 1085664903 /nfs/dbraw/zinc/66/49/03/1085664903.db2.gz VBKPKMDOVUZCGG-QZTJIDSGSA-N 1 3 321.509 2.299 20 0 DEADHO CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961265089 1085664907 /nfs/dbraw/zinc/66/49/07/1085664907.db2.gz VBKPKMDOVUZCGG-QZTJIDSGSA-N 1 3 321.509 2.299 20 0 DEADHO CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC000961376482 1085710223 /nfs/dbraw/zinc/71/02/23/1085710223.db2.gz TXHNMASCMIWLSI-ROUUACIJSA-N 1 3 321.509 2.297 20 0 DEADHO CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC000961376482 1085710233 /nfs/dbraw/zinc/71/02/33/1085710233.db2.gz TXHNMASCMIWLSI-ROUUACIJSA-N 1 3 321.509 2.297 20 0 DEADHO O=C1C[C@]2(CN1C1CCCC1)CCCCN2CC1CC[NH2+]CC1 ZINC001273028945 1086028652 /nfs/dbraw/zinc/02/86/52/1086028652.db2.gz BMCLFPXVMTWZPQ-IBGZPJMESA-N 1 3 319.493 2.386 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@H](C)c1ccccc1C ZINC001128533070 1086186906 /nfs/dbraw/zinc/18/69/06/1086186906.db2.gz FVJVGWAAZRULGB-WBVHZDCISA-N 1 3 323.456 2.442 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+][C@H](C)c1cccc(C)c1 ZINC001128545091 1086211379 /nfs/dbraw/zinc/21/13/79/1086211379.db2.gz UECRRUAWYGPDNM-NVXWUHKLSA-N 1 3 323.456 2.442 20 0 DEADHO C[C@@H](CN(C)C(=O)OC(C)(C)C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000701887829 1086391400 /nfs/dbraw/zinc/39/14/00/1086391400.db2.gz YFEGUXLJCHNYHK-AVOUXACISA-N 1 3 311.470 2.457 20 0 DEADHO C[C@@H](CN(C)C(=O)OC(C)(C)C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000701887829 1086391413 /nfs/dbraw/zinc/39/14/13/1086391413.db2.gz YFEGUXLJCHNYHK-AVOUXACISA-N 1 3 311.470 2.457 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000963357878 1086424158 /nfs/dbraw/zinc/42/41/58/1086424158.db2.gz BGCRYOVLXIAHKW-DLBZAZTESA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000963357878 1086424163 /nfs/dbraw/zinc/42/41/63/1086424163.db2.gz BGCRYOVLXIAHKW-DLBZAZTESA-N 1 3 321.509 2.441 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1cc2ccccc2o1 ZINC001168755340 1086502179 /nfs/dbraw/zinc/50/21/79/1086502179.db2.gz NBVGKQUJWWKIBB-UHFFFAOYSA-N 1 3 317.433 2.371 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)C2CCC([NH2+]CCC3CC3)CC2)C1 ZINC000963902781 1086592051 /nfs/dbraw/zinc/59/20/51/1086592051.db2.gz OKRBYTAXSZHLRS-ZLPCBKJTSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1ccnc(CN2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)c1 ZINC001276321390 1088981353 /nfs/dbraw/zinc/98/13/53/1088981353.db2.gz ITHLGQSAJSVBOC-UHFFFAOYSA-N 1 3 316.493 2.240 20 0 DEADHO Cc1ccnc(CN2CCC3(CC[N@H+](CCN(C)C)C3)CC2)c1 ZINC001276321390 1088981371 /nfs/dbraw/zinc/98/13/71/1088981371.db2.gz ITHLGQSAJSVBOC-UHFFFAOYSA-N 1 3 316.493 2.240 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCC)C[C@H]1C ZINC001080755990 1089174522 /nfs/dbraw/zinc/17/45/22/1089174522.db2.gz FAIWOZXRLGOEGM-BRWVUGGUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCC)C[C@H]1C ZINC001080755990 1089174530 /nfs/dbraw/zinc/17/45/30/1089174530.db2.gz FAIWOZXRLGOEGM-BRWVUGGUSA-N 1 3 309.498 2.488 20 0 DEADHO CC[NH2+]C[C@H]1c2ccccc2CCN1C(=O)[C@@H](CC)N(C)C ZINC000958791730 1089186905 /nfs/dbraw/zinc/18/69/05/1089186905.db2.gz UZRXKARQYINRFW-SJORKVTESA-N 1 3 303.450 2.062 20 0 DEADHO CC[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC000959879213 1089816601 /nfs/dbraw/zinc/81/66/01/1089816601.db2.gz YKHFYWJSLWTDEY-NCOADZHNSA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC000959879213 1089816626 /nfs/dbraw/zinc/81/66/26/1089816626.db2.gz YKHFYWJSLWTDEY-NCOADZHNSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CC2)C1 ZINC001082507168 1089996673 /nfs/dbraw/zinc/99/66/73/1089996673.db2.gz FZDZFSVJAGHXCZ-DJIMGWMZSA-N 1 3 307.482 2.096 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CC1CCCCC1 ZINC001082741000 1090065977 /nfs/dbraw/zinc/06/59/77/1090065977.db2.gz MRBHQVZZPQKSCA-SOLBZPMBSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@H]2CCN(C(C)C)C[C@H]21)[NH+]1CCCC1 ZINC001084853230 1090477300 /nfs/dbraw/zinc/47/73/00/1090477300.db2.gz XZUJSHVZZJWZGD-ZACQAIPSSA-N 1 3 307.482 2.048 20 0 DEADHO CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)N3CCCCCC3)C[C@@H]21 ZINC001085049464 1090617783 /nfs/dbraw/zinc/61/77/83/1090617783.db2.gz BYEXEYVKHWYLEX-ZACQAIPSSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)N3CCCCCC3)C[C@@H]21 ZINC001085049464 1090617784 /nfs/dbraw/zinc/61/77/84/1090617784.db2.gz BYEXEYVKHWYLEX-ZACQAIPSSA-N 1 3 307.482 2.194 20 0 DEADHO C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1N(Cc1ccsc1)CC2 ZINC001410896215 1091200991 /nfs/dbraw/zinc/20/09/91/1091200991.db2.gz KDHRKPGYIYKYAU-WBVHZDCISA-N 1 3 321.490 2.313 20 0 DEADHO CC[C@H](F)CNC/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001274414035 1091230932 /nfs/dbraw/zinc/23/09/32/1091230932.db2.gz QLOILLCDXDNENX-KQLNYGGHSA-N 1 3 313.461 2.259 20 0 DEADHO CC[C@H](F)CNC/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001274414035 1091230940 /nfs/dbraw/zinc/23/09/40/1091230940.db2.gz QLOILLCDXDNENX-KQLNYGGHSA-N 1 3 313.461 2.259 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001274886929 1091457653 /nfs/dbraw/zinc/45/76/53/1091457653.db2.gz TUKSPSSJHKOZIO-IYBDPMFKSA-N 1 3 315.461 2.162 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001274886929 1091457658 /nfs/dbraw/zinc/45/76/58/1091457658.db2.gz TUKSPSSJHKOZIO-IYBDPMFKSA-N 1 3 315.461 2.162 20 0 DEADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2csc(C)c2)C1)N(C)C ZINC001411245643 1091464286 /nfs/dbraw/zinc/46/42/86/1091464286.db2.gz ACTMQQQMDFKVQE-GPANFISMSA-N 1 3 323.506 2.476 20 0 DEADHO CN(C)C1(C(=O)N(C)CCC[NH2+]CC2CC(C)(C)C2)CCC1 ZINC001276047529 1091483207 /nfs/dbraw/zinc/48/32/07/1091483207.db2.gz BGEMPTDPYBKRLH-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CCCC[C@@H](CC)CN1C[C@@H]2CN(CC[NH+](C)C)C[C@H](C1)O2 ZINC001275077517 1091546166 /nfs/dbraw/zinc/54/61/66/1091546166.db2.gz VWFKZQMIPQEMFF-KURKYZTESA-N 1 3 311.514 2.149 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]C/C=C\Cl)C1 ZINC001275331677 1091675564 /nfs/dbraw/zinc/67/55/64/1091675564.db2.gz OQINMDVBZVYAHB-JIASUYTJSA-N 1 3 313.873 2.098 20 0 DEADHO CC[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CC[C@@H](C)F ZINC001443966371 1091876737 /nfs/dbraw/zinc/87/67/37/1091876737.db2.gz NUGJAMWJXKVQMW-ZIAGYGMSSA-N 1 3 301.450 2.093 20 0 DEADHO CN1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(C[NH+]3CCCC3)c1)C2 ZINC001275575192 1091878050 /nfs/dbraw/zinc/87/80/50/1091878050.db2.gz MASBXLFGTRGTIV-AEFFLSMTSA-N 1 3 313.445 2.059 20 0 DEADHO C[C@@H](C[N@H+](C)CC1=CCCCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001275649549 1091941648 /nfs/dbraw/zinc/94/16/48/1091941648.db2.gz VZXGHGHMPVOGBT-CVEARBPZSA-N 1 3 307.482 2.265 20 0 DEADHO C[C@@H](C[N@@H+](C)CC1=CCCCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001275649549 1091941654 /nfs/dbraw/zinc/94/16/54/1091941654.db2.gz VZXGHGHMPVOGBT-CVEARBPZSA-N 1 3 307.482 2.265 20 0 DEADHO Cc1cc(C)c(CN2CC3(CN(CC[NH+](C)C)C3)C2)cc1C ZINC001276025511 1092528384 /nfs/dbraw/zinc/52/83/84/1092528384.db2.gz PUFQIEAHIMLGRB-UHFFFAOYSA-N 1 3 301.478 2.291 20 0 DEADHO C[NH+](C)CCCC(=O)NC[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001488763964 1092738014 /nfs/dbraw/zinc/73/80/14/1092738014.db2.gz NYFXRQUAXJSHNK-FZNQNYSPSA-N 1 3 321.440 2.152 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC[N@H+](C)CC1CC(C)(C)C1)N(C)C ZINC001490270832 1093269532 /nfs/dbraw/zinc/26/95/32/1093269532.db2.gz JUJMFFOBUXNLTC-INIZCTEOSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC[N@@H+](C)CC1CC(C)(C)C1)N(C)C ZINC001490270832 1093269541 /nfs/dbraw/zinc/26/95/41/1093269541.db2.gz JUJMFFOBUXNLTC-INIZCTEOSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC001490402731 1093347330 /nfs/dbraw/zinc/34/73/30/1093347330.db2.gz SVSKBSQYFOXEID-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001649168298 1093735776 /nfs/dbraw/zinc/73/57/76/1093735776.db2.gz VGCQSRLDQJZOCS-HKUYNNGSSA-N 1 3 313.445 2.356 20 0 DEADHO C(c1nc2c(s1)CNCC2)N([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236654782 1138391332 /nfs/dbraw/zinc/39/13/32/1138391332.db2.gz RDDQJTVDPCKDJJ-CQSZACIVSA-N 1 3 320.506 2.285 20 0 DEADHO C[NH+]1CCC(C)(CN2CC[C@@H]3C[C@@]32C(=O)NC(C)(C)C)CC1 ZINC001278022664 1138447169 /nfs/dbraw/zinc/44/71/69/1138447169.db2.gz YJWQAKJOIITLPL-KDOFPFPSSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H]1C ZINC001278308767 1139262963 /nfs/dbraw/zinc/26/29/63/1139262963.db2.gz QFYMELSBVSOLNA-IAGOWNOFSA-N 1 3 307.482 2.264 20 0 DEADHO c1ccc(CN2CCC=C(c3cc(C4C[NH2+]C4)ncn3)C2)cc1 ZINC001240387627 1139354927 /nfs/dbraw/zinc/35/49/27/1139354927.db2.gz QTRSJQDCRDMETE-UHFFFAOYSA-N 1 3 306.413 2.453 20 0 DEADHO CN1CCC=C(c2ccc3c(c2)COC2(CC[NH2+]CC2)O3)C1 ZINC001241569900 1139828354 /nfs/dbraw/zinc/82/83/54/1139828354.db2.gz AGJDCCCEMUZJQB-UHFFFAOYSA-N 1 3 300.402 2.394 20 0 DEADHO CC(C)CC[NH2+][C@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001491580065 1140172398 /nfs/dbraw/zinc/17/23/98/1140172398.db2.gz QBDPLRAYEQDULQ-PBHICJAKSA-N 1 3 315.477 2.339 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CCC1CCCC1 ZINC001319196121 1140524425 /nfs/dbraw/zinc/52/44/25/1140524425.db2.gz KRVBSHMJKQXTCA-OAHLLOKOSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@H]1CNC[C@H](O)COc1ccc(Cl)cc1 ZINC001245980399 1140841282 /nfs/dbraw/zinc/84/12/82/1140841282.db2.gz DFSUYWDBSHAGJG-YDHLFZDLSA-N 1 3 312.841 2.057 20 0 DEADHO O[C@@H](CNC[C@H]1CCC[NH2+]C1)COc1cccc2ccccc21 ZINC001245982414 1140841584 /nfs/dbraw/zinc/84/15/84/1140841584.db2.gz OYZIBYKHKDXTKT-RDJZCZTQSA-N 1 3 314.429 2.169 20 0 DEADHO CC(C)c1ccc(OC[C@@H](O)CN2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC001246018769 1140847084 /nfs/dbraw/zinc/84/70/84/1140847084.db2.gz XTQOQRGSYNJFAV-UAGQMJEPSA-N 1 3 306.450 2.076 20 0 DEADHO C[C@@H]1C[C@H](N[C@H]2CCNC[C@@H]2F)CC[N@@H+]1Cc1ccccc1 ZINC001246087862 1140858826 /nfs/dbraw/zinc/85/88/26/1140858826.db2.gz QIUPHQFNXRLAEX-BGTYHANMSA-N 1 3 305.441 2.329 20 0 DEADHO C[C@@H]1C[C@H](N[C@H]2CCNC[C@@H]2F)CC[N@H+]1Cc1ccccc1 ZINC001246087862 1140858828 /nfs/dbraw/zinc/85/88/28/1140858828.db2.gz QIUPHQFNXRLAEX-BGTYHANMSA-N 1 3 305.441 2.329 20 0 DEADHO CCOC(=O)[C@@H]1CC12CCC(NC[C@H]1CC[C@H](C)C[NH2+]1)CC2 ZINC001246104942 1140861370 /nfs/dbraw/zinc/86/13/70/1140861370.db2.gz KYJLXENQRBHJIG-CLEAANHHSA-N 1 3 308.466 2.476 20 0 DEADHO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1[C@H]2CNC[C@@H]1COC2 ZINC001246145191 1140866148 /nfs/dbraw/zinc/86/61/48/1140866148.db2.gz DSWBKIWYTYCNPC-CNXAATOLSA-N 1 3 312.816 2.234 20 0 DEADHO C[C@@H](Cc1ccc(F)cc1Cl)N[C@@H]1[C@H]2C[NH2+]C[C@@H]1COC2 ZINC001246145191 1140866149 /nfs/dbraw/zinc/86/61/49/1140866149.db2.gz DSWBKIWYTYCNPC-CNXAATOLSA-N 1 3 312.816 2.234 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]C2CCN(c3ncccc3Cl)CC2)CCN1 ZINC001246239264 1140876522 /nfs/dbraw/zinc/87/65/22/1140876522.db2.gz IQVSSHMBTFZUEE-TZMCWYRMSA-N 1 3 308.857 2.434 20 0 DEADHO Cc1cc(F)ccc1CN1CCC([NH2+][C@H]2CCCNC2)CC1 ZINC001246356563 1140887299 /nfs/dbraw/zinc/88/72/99/1140887299.db2.gz SJWBFMCNJMICAK-SFHVURJKSA-N 1 3 305.441 2.440 20 0 DEADHO C[C@@H]1CC[C@@H](NCC2CCN(C(=O)c3ccccc3)CC2)C[NH2+]1 ZINC001246369929 1140889315 /nfs/dbraw/zinc/88/93/15/1140889315.db2.gz WCTFTTPTJDAYSE-CRAIPNDOSA-N 1 3 315.461 2.269 20 0 DEADHO COc1cccc(C2(C[NH2+][C@@H]3CCN[C@H](C)C3)CCOCC2)c1 ZINC001246374437 1140890425 /nfs/dbraw/zinc/89/04/25/1140890425.db2.gz LNLXJKOXAJFNNR-NVXWUHKLSA-N 1 3 318.461 2.474 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CNCC(C)(C)O2)CN1Cc1ccccc1 ZINC001246411317 1140895374 /nfs/dbraw/zinc/89/53/74/1140895374.db2.gz BOXCPSOBJXTKIW-BPQIPLTHSA-N 1 3 317.477 2.006 20 0 DEADHO CCc1ccc(C[NH2+]CCN(CC)C(=O)[C@H]2CCCN2C)cc1 ZINC001320694405 1140895694 /nfs/dbraw/zinc/89/56/94/1140895694.db2.gz KUJJOJPTMGVBLB-GOSISDBHSA-N 1 3 317.477 2.281 20 0 DEADHO COc1ccc(CCN(C[C@H](C)O)[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC001246531356 1140939321 /nfs/dbraw/zinc/93/93/21/1140939321.db2.gz FBANCUVHFFRYFC-HLLBOEOZSA-N 1 3 306.450 2.061 20 0 DEADHO COc1ccc(CC[N@H+](C[C@H](C)O)[C@@H]2CCN[C@H](C)C2)cc1 ZINC001246531356 1140939325 /nfs/dbraw/zinc/93/93/25/1140939325.db2.gz FBANCUVHFFRYFC-HLLBOEOZSA-N 1 3 306.450 2.061 20 0 DEADHO COc1ccc(CC[N@@H+](C[C@H](C)O)[C@@H]2CCN[C@H](C)C2)cc1 ZINC001246531356 1140939328 /nfs/dbraw/zinc/93/93/28/1140939328.db2.gz FBANCUVHFFRYFC-HLLBOEOZSA-N 1 3 306.450 2.061 20 0 DEADHO CCN(CCNCc1cccc(F)c1)C(=O)C1CC[NH+](C)CC1 ZINC001320829044 1140942439 /nfs/dbraw/zinc/94/24/39/1140942439.db2.gz BUSQOFNMDFHEQR-UHFFFAOYSA-N 1 3 321.440 2.106 20 0 DEADHO COC(=O)c1ccc(C[C@H](C)N2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001246570355 1140972768 /nfs/dbraw/zinc/97/27/68/1140972768.db2.gz PMDHQFQYKCRVCO-MAZHCROVSA-N 1 3 308.397 2.165 20 0 DEADHO COC(=O)c1ccc(C[C@H](C)N2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001246570357 1140975730 /nfs/dbraw/zinc/97/57/30/1140975730.db2.gz PMDHQFQYKCRVCO-VBNZEHGJSA-N 1 3 308.397 2.165 20 0 DEADHO COC(=O)c1ccc(C[C@H](C)[N@@H+]2CCCC[C@H](CN)C2)cc1 ZINC001246579590 1140984382 /nfs/dbraw/zinc/98/43/82/1140984382.db2.gz CGZNTUUCQXVVIA-GOEBONIOSA-N 1 3 304.434 2.465 20 0 DEADHO COC(=O)c1ccc(C[C@H](C)[N@H+]2CCCC[C@H](CN)C2)cc1 ZINC001246579590 1140984408 /nfs/dbraw/zinc/98/44/08/1140984408.db2.gz CGZNTUUCQXVVIA-GOEBONIOSA-N 1 3 304.434 2.465 20 0 DEADHO C[NH2+]CC[C@H](C)N1CC[C@@]2(CC(=O)N(c3ccc(C)cc3)C2)C1 ZINC001246769195 1141054391 /nfs/dbraw/zinc/05/43/91/1141054391.db2.gz DYAZDRBZWXIAAO-QFBILLFUSA-N 1 3 315.461 2.422 20 0 DEADHO CCOC(=O)N1CCC[C@H](N2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001247012421 1141242296 /nfs/dbraw/zinc/24/22/96/1141242296.db2.gz DJUQQFGTJZGUKX-PMPSAXMXSA-N 1 3 309.454 2.071 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001322088012 1141391581 /nfs/dbraw/zinc/39/15/81/1141391581.db2.gz JYPCMKCFBSSLIK-KBPBESRZSA-N 1 3 319.440 2.246 20 0 DEADHO OCCCOCCN[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001336753955 1142559342 /nfs/dbraw/zinc/55/93/42/1142559342.db2.gz CCFDRVJURKZXJA-HKUYNNGSSA-N 1 3 318.461 2.343 20 0 DEADHO OCCCOCCN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001336753955 1142559356 /nfs/dbraw/zinc/55/93/56/1142559356.db2.gz CCFDRVJURKZXJA-HKUYNNGSSA-N 1 3 318.461 2.343 20 0 DEADHO C[C@H](O)C[NH+]1CCC2(C[C@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001251961079 1142565481 /nfs/dbraw/zinc/56/54/81/1142565481.db2.gz XYHYGOCIYHCUHC-WMZOPIPTSA-N 1 3 318.461 2.123 20 0 DEADHO CCCC[C@@H](O)C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001252117014 1142647441 /nfs/dbraw/zinc/64/74/41/1142647441.db2.gz BENFBYJVXKIVJC-GOSISDBHSA-N 1 3 305.466 2.434 20 0 DEADHO CCN(CC)C[C@H](O)C[N@@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC001253175072 1142849624 /nfs/dbraw/zinc/84/96/24/1142849624.db2.gz DPPFYHGZWIQIHE-CVEARBPZSA-N 1 3 306.450 2.187 20 0 DEADHO CCN(CC)C[C@H](O)C[N@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC001253175072 1142849625 /nfs/dbraw/zinc/84/96/25/1142849625.db2.gz DPPFYHGZWIQIHE-CVEARBPZSA-N 1 3 306.450 2.187 20 0 DEADHO CC[NH+](CC)C[C@@H](O)CN[C@H]1CCc2c3ccccc3[nH]c2C1 ZINC001253211231 1142854625 /nfs/dbraw/zinc/85/46/25/1142854625.db2.gz UNKPJKPGFWICJB-GJZGRUSLSA-N 1 3 315.461 2.318 20 0 DEADHO CC[NH+](CC)C[C@H](O)CN[C@@H]1CCc2ccc(Cl)cc2C1 ZINC001253209986 1142854718 /nfs/dbraw/zinc/85/47/18/1142854718.db2.gz KHTJHTRQMNOLNM-IAGOWNOFSA-N 1 3 310.869 2.490 20 0 DEADHO CC[NH+](CC)C[C@H](O)CNCC1(Cc2cccc(F)c2)CC1 ZINC001253212205 1142854976 /nfs/dbraw/zinc/85/49/76/1142854976.db2.gz GDZPVMVVVZBALJ-QGZVFWFLSA-N 1 3 308.441 2.441 20 0 DEADHO CC[NH+](CC)C[C@H](O)CNCCc1c(C)[nH]c2ccc(O)cc21 ZINC001253216890 1142855281 /nfs/dbraw/zinc/85/52/81/1142855281.db2.gz QAQGGFWRFNRPBN-OAHLLOKOSA-N 1 3 319.449 2.017 20 0 DEADHO CC[NH+](CC)C[C@@H](O)CNCCc1c[nH]c2cc(OC)ccc12 ZINC001253214947 1142855567 /nfs/dbraw/zinc/85/55/67/1142855567.db2.gz TXUQDYPPJVBLML-HNNXBMFYSA-N 1 3 319.449 2.011 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]C[C@@H](O)Cc2ccccc2)C[C@H](C)O1 ZINC001338464066 1142857591 /nfs/dbraw/zinc/85/75/91/1142857591.db2.gz YZXCGXUTNFVHBE-SCTDSRPQSA-N 1 3 320.477 2.069 20 0 DEADHO CC(C)(C)[NH2+]C[C@@H](O)CN1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001253390647 1142867949 /nfs/dbraw/zinc/86/79/49/1142867949.db2.gz RGCODYFKYQBHKO-BDXSIMOUSA-N 1 3 324.509 2.263 20 0 DEADHO CC(C)(C)NC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001253390647 1142867953 /nfs/dbraw/zinc/86/79/53/1142867953.db2.gz RGCODYFKYQBHKO-BDXSIMOUSA-N 1 3 324.509 2.263 20 0 DEADHO CC(C)(C)NC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001253390647 1142867954 /nfs/dbraw/zinc/86/79/54/1142867954.db2.gz RGCODYFKYQBHKO-BDXSIMOUSA-N 1 3 324.509 2.263 20 0 DEADHO C[C@@H](CN)C[N@H+](C)[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254895772 1143355552 /nfs/dbraw/zinc/35/55/52/1143355552.db2.gz ZUWZLCZHBYIISI-XQLPTFJDSA-N 1 3 311.470 2.159 20 0 DEADHO C[C@@H](CN)C[N@@H+](C)[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254895772 1143355560 /nfs/dbraw/zinc/35/55/60/1143355560.db2.gz ZUWZLCZHBYIISI-XQLPTFJDSA-N 1 3 311.470 2.159 20 0 DEADHO CN1CC[N@@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)CCC1=O ZINC001255407019 1143600469 /nfs/dbraw/zinc/60/04/69/1143600469.db2.gz VUJJKBUQHXAUPO-GOSISDBHSA-N 1 3 315.461 2.205 20 0 DEADHO CN1CC[N@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)CCC1=O ZINC001255407019 1143600479 /nfs/dbraw/zinc/60/04/79/1143600479.db2.gz VUJJKBUQHXAUPO-GOSISDBHSA-N 1 3 315.461 2.205 20 0 DEADHO CN1CC2(C1)CC[NH+]([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2 ZINC001255918382 1143815172 /nfs/dbraw/zinc/81/51/72/1143815172.db2.gz UCYYAGCPFQXCNJ-OAHLLOKOSA-N 1 3 323.481 2.414 20 0 DEADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1CCc2c(ccc(=O)n2CC)C1 ZINC001255943522 1143816006 /nfs/dbraw/zinc/81/60/06/1143816006.db2.gz NTWHGLUEUNNZSR-WBVHZDCISA-N 1 3 319.493 2.436 20 0 DEADHO CC[NH+](CC)CC[C@@H](C)N1C[C@@H]2C[C@H](C(=O)NC3CC3)C[C@@H]2C1 ZINC001255963014 1143817384 /nfs/dbraw/zinc/81/73/84/1143817384.db2.gz NDRSDSRCLQJTBC-VQHPVUNQSA-N 1 3 321.509 2.343 20 0 DEADHO CCN(CC)CC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H](C(=O)NC3CC3)C[C@@H]2C1 ZINC001255963014 1143817385 /nfs/dbraw/zinc/81/73/85/1143817385.db2.gz NDRSDSRCLQJTBC-VQHPVUNQSA-N 1 3 321.509 2.343 20 0 DEADHO CCN(CC)CC[C@@H](C)[N@H+]1C[C@@H]2C[C@H](C(=O)NC3CC3)C[C@@H]2C1 ZINC001255963014 1143817387 /nfs/dbraw/zinc/81/73/87/1143817387.db2.gz NDRSDSRCLQJTBC-VQHPVUNQSA-N 1 3 321.509 2.343 20 0 DEADHO COc1cccc(C[C@@H](C)[NH2+]CCN2CCN(C(C)C)CC2)c1 ZINC001256150172 1143831591 /nfs/dbraw/zinc/83/15/91/1143831591.db2.gz XNRHSQVMYPASHO-QGZVFWFLSA-N 1 3 319.493 2.242 20 0 DEADHO CCN(CC)[C@@H]1CC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC001256593596 1143856079 /nfs/dbraw/zinc/85/60/79/1143856079.db2.gz WMCPBNFYIDYYKL-LJQANCHMSA-N 1 3 316.493 2.462 20 0 DEADHO CCN(CC)[C@@H]1CC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC001256593596 1143856080 /nfs/dbraw/zinc/85/60/80/1143856080.db2.gz WMCPBNFYIDYYKL-LJQANCHMSA-N 1 3 316.493 2.462 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C2CCN(Cc3ccncc3)CC2)C1 ZINC001256593596 1143856081 /nfs/dbraw/zinc/85/60/81/1143856081.db2.gz WMCPBNFYIDYYKL-LJQANCHMSA-N 1 3 316.493 2.462 20 0 DEADHO C[C@@](O)(C[NH2+]C1CCC(N2CCOCC2)CC1)c1ccccc1 ZINC001256676647 1143861361 /nfs/dbraw/zinc/86/13/61/1143861361.db2.gz TVDRXFAQXDUPPE-CTWPCTMYSA-N 1 3 318.461 2.127 20 0 DEADHO c1ccc(OCC[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256676221 1143861372 /nfs/dbraw/zinc/86/13/72/1143861372.db2.gz OFJQOJOIBOKXRK-UHFFFAOYSA-N 1 3 304.434 2.298 20 0 DEADHO Fc1cccc(OCC[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256682718 1143861818 /nfs/dbraw/zinc/86/18/18/1143861818.db2.gz NQRSLEVENIIJQQ-UHFFFAOYSA-N 1 3 322.424 2.438 20 0 DEADHO O[C@@]1(C(F)(F)F)CCN(C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256856392 1143870950 /nfs/dbraw/zinc/87/09/50/1143870950.db2.gz IAEYZABLOGYVGZ-AWEZNQCLSA-N 1 3 315.339 2.050 20 0 DEADHO CC(C)[NH+]1CCC(N[C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001257210185 1143892825 /nfs/dbraw/zinc/89/28/25/1143892825.db2.gz INOXIKFHTHISFG-CYBMUJFWSA-N 1 3 321.387 2.002 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C[NH2+]CCCF)C(C)(C)C)N(C)C ZINC001279020674 1143934373 /nfs/dbraw/zinc/93/43/73/1143934373.db2.gz AAQGADAEYOESKJ-UONOGXRCSA-N 1 3 303.466 2.053 20 0 DEADHO CC(C)C[NH+]1CCC(N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC001258014492 1143965959 /nfs/dbraw/zinc/96/59/59/1143965959.db2.gz LZVCTUDNASVHOO-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CN1CC[C@@H]([N@H+](C)C2CCN(CCc3ccccc3)CC2)C1 ZINC001258142918 1143978276 /nfs/dbraw/zinc/97/82/76/1143978276.db2.gz DDXJXMKBUJBARQ-LJQANCHMSA-N 1 3 301.478 2.329 20 0 DEADHO CN1CC[C@@H]([N@@H+](C)C2CCN(CCc3ccccc3)CC2)C1 ZINC001258142918 1143978281 /nfs/dbraw/zinc/97/82/81/1143978281.db2.gz DDXJXMKBUJBARQ-LJQANCHMSA-N 1 3 301.478 2.329 20 0 DEADHO C[C@H]1C[C@@H]([N@H+]2CCC(=O)N(CCN(C)C)CC2)CC(C)(C)C1 ZINC001258700370 1144034549 /nfs/dbraw/zinc/03/45/49/1144034549.db2.gz LSZISZCDRWXCSQ-JKSUJKDBSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H]1C[C@@H]([N@@H+]2CCC(=O)N(CCN(C)C)CC2)CC(C)(C)C1 ZINC001258700370 1144034552 /nfs/dbraw/zinc/03/45/52/1144034552.db2.gz LSZISZCDRWXCSQ-JKSUJKDBSA-N 1 3 309.498 2.297 20 0 DEADHO COc1cc(C[C@@H](C)N(C)C[C@H](C)C[NH3+])cc(OC)c1OC ZINC001258861850 1144047702 /nfs/dbraw/zinc/04/77/02/1144047702.db2.gz LBZASDWJKYKPOB-CHWSQXEVSA-N 1 3 310.438 2.170 20 0 DEADHO COc1cc(C[C@@H](C)[N@H+](C)C[C@H](C)CN)cc(OC)c1OC ZINC001258861850 1144047705 /nfs/dbraw/zinc/04/77/05/1144047705.db2.gz LBZASDWJKYKPOB-CHWSQXEVSA-N 1 3 310.438 2.170 20 0 DEADHO COc1cc(C[C@@H](C)[N@@H+](C)C[C@H](C)CN)cc(OC)c1OC ZINC001258861850 1144047708 /nfs/dbraw/zinc/04/77/08/1144047708.db2.gz LBZASDWJKYKPOB-CHWSQXEVSA-N 1 3 310.438 2.170 20 0 DEADHO CCC[NH+]1CCC(NC[C@@H](O)COCc2ccccc2)CC1 ZINC000378903575 1144365939 /nfs/dbraw/zinc/36/59/39/1144365939.db2.gz JEDUUYGVPHJUIH-GOSISDBHSA-N 1 3 306.450 2.028 20 0 DEADHO C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001264545419 1144562220 /nfs/dbraw/zinc/56/22/20/1144562220.db2.gz NBYBVPGUOVEDKE-MCCZJCTISA-N 1 3 313.873 2.050 20 0 DEADHO CN1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1C/C=C/Cl ZINC001266204539 1144814037 /nfs/dbraw/zinc/81/40/37/1144814037.db2.gz WQYXNZGIWDFBOF-BKILABGBSA-N 1 3 313.873 2.194 20 0 DEADHO CN1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1C/C=C/Cl ZINC001266204539 1144814038 /nfs/dbraw/zinc/81/40/38/1144814038.db2.gz WQYXNZGIWDFBOF-BKILABGBSA-N 1 3 313.873 2.194 20 0 DEADHO CC(C)(C)CC[NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001280207144 1144833678 /nfs/dbraw/zinc/83/36/78/1144833678.db2.gz GLUGCZMYELFBKT-AWEZNQCLSA-N 1 3 306.454 2.217 20 0 DEADHO CC(C)=CCN1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001282832516 1145173661 /nfs/dbraw/zinc/17/36/61/1145173661.db2.gz KBLSMYMKDXDQJX-HOTGVXAUSA-N 1 3 309.498 2.365 20 0 DEADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+]([C@H](C)[C@H](C)O)C2)ccn1 ZINC001364477131 1145282517 /nfs/dbraw/zinc/28/25/17/1145282517.db2.gz CXVOHBOWKLNGIY-VKJFTORMSA-N 1 3 321.465 2.144 20 0 DEADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+]([C@H](C)[C@H](C)O)C2)ccn1 ZINC001364477131 1145282524 /nfs/dbraw/zinc/28/25/24/1145282524.db2.gz CXVOHBOWKLNGIY-VKJFTORMSA-N 1 3 321.465 2.144 20 0 DEADHO CC(C)[N@H+](C)C[C@@H](O)CN1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001364486163 1145290974 /nfs/dbraw/zinc/29/09/74/1145290974.db2.gz MZONCSYKTOZDSZ-MKXGPGLRSA-N 1 3 302.462 2.423 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H](O)CN1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001364486163 1145290981 /nfs/dbraw/zinc/29/09/81/1145290981.db2.gz MZONCSYKTOZDSZ-MKXGPGLRSA-N 1 3 302.462 2.423 20 0 DEADHO C[C@H](CCC[NH2+]Cc1ccns1)NC(=O)C1(N(C)C)CCC1 ZINC001283186351 1145307813 /nfs/dbraw/zinc/30/78/13/1145307813.db2.gz OCWKXQGKRDKQRN-CYBMUJFWSA-N 1 3 324.494 2.002 20 0 DEADHO C[C@@H](CCC[NH2+]Cc1ccns1)NC(=O)C1(N(C)C)CCC1 ZINC001283186354 1145307995 /nfs/dbraw/zinc/30/79/95/1145307995.db2.gz OCWKXQGKRDKQRN-ZDUSSCGKSA-N 1 3 324.494 2.002 20 0 DEADHO Fc1cc(F)c2c(c1)C[C@H](NC1CC[NH+](C3CC3)CC1)CO2 ZINC001364721125 1145504504 /nfs/dbraw/zinc/50/45/04/1145504504.db2.gz DXYFLIOPPPWYFD-AWEZNQCLSA-N 1 3 308.372 2.485 20 0 DEADHO COc1cc(C)c(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)cc1OC ZINC001364931462 1145688235 /nfs/dbraw/zinc/68/82/35/1145688235.db2.gz JUIHKPPTBFIHHU-VNQPRFMTSA-N 1 3 304.434 2.442 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)CCO1 ZINC001365355229 1145856538 /nfs/dbraw/zinc/85/65/38/1145856538.db2.gz RVOPEBWQPWOREK-VQIMIIECSA-N 1 3 317.477 2.091 20 0 DEADHO COc1ccc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)cc1F ZINC001365366289 1145860409 /nfs/dbraw/zinc/86/04/09/1145860409.db2.gz YPFVPXIFWVWMRQ-DLBZAZTESA-N 1 3 322.424 2.302 20 0 DEADHO C[C@@H]1CCC[C@](CNC(=O)NC[C@@H]2CCCCN2C)([NH+](C)C)C1 ZINC001365550647 1145891053 /nfs/dbraw/zinc/89/10/53/1145891053.db2.gz IMFBLWRSMLAREH-RYRKJORJSA-N 1 3 324.513 2.280 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc([O-])c(F)c1 ZINC001365596189 1145899370 /nfs/dbraw/zinc/89/93/70/1145899370.db2.gz MVSOFYHWYYKFKF-INIZCTEOSA-N 1 3 323.456 2.379 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc([O-])c(F)c1 ZINC001365596189 1145899373 /nfs/dbraw/zinc/89/93/73/1145899373.db2.gz MVSOFYHWYYKFKF-INIZCTEOSA-N 1 3 323.456 2.379 20 0 DEADHO C[C@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)c1ccnn1C ZINC001365612373 1145912300 /nfs/dbraw/zinc/91/23/00/1145912300.db2.gz AXTXKNJJLIASBP-UQPPLGOBSA-N 1 3 306.454 2.104 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1)N(C)C ZINC001365815810 1146018739 /nfs/dbraw/zinc/01/87/39/1146018739.db2.gz JFGQXCXTVOGUGI-XHSDSOJGSA-N 1 3 323.506 2.319 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001365824787 1146021027 /nfs/dbraw/zinc/02/10/27/1146021027.db2.gz DQLRCBPOJYKVHX-FZNQNYSPSA-N 1 3 309.498 2.249 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]([NH2+]CC3CC(C)(C)C3)C2)CCC1 ZINC001365834849 1146023551 /nfs/dbraw/zinc/02/35/51/1146023551.db2.gz OTZWMJVGWGZRBB-KOMQPUFPSA-N 1 3 321.509 2.391 20 0 DEADHO C[NH+](C)CCCC(=O)NC[C@H]1C[C@H](NCc2ccccc2F)C1 ZINC001365839892 1146024699 /nfs/dbraw/zinc/02/46/99/1146024699.db2.gz NYFXRQUAXJSHNK-KOMQPUFPSA-N 1 3 321.440 2.152 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001365843213 1146025908 /nfs/dbraw/zinc/02/59/08/1146025908.db2.gz HCOAMWHFIMQTKN-DJIMGWMZSA-N 1 3 321.440 2.150 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CC2)C1)N(C)C ZINC001365857158 1146030403 /nfs/dbraw/zinc/03/04/03/1146030403.db2.gz GWCFBMAUHGQPEV-GVDBMIGSSA-N 1 3 309.498 2.247 20 0 DEADHO CC(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001366075122 1147041047 /nfs/dbraw/zinc/04/10/47/1147041047.db2.gz FIRJBNSNQOXESW-IRXDYDNUSA-N 1 3 311.514 2.399 20 0 DEADHO CC(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001366075122 1147041052 /nfs/dbraw/zinc/04/10/52/1147041052.db2.gz FIRJBNSNQOXESW-IRXDYDNUSA-N 1 3 311.514 2.399 20 0 DEADHO CCC[NH2+][C@H](C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001492084692 1147089288 /nfs/dbraw/zinc/08/92/88/1147089288.db2.gz CFYMKALTNADIRM-CJNGLKHVSA-N 1 3 301.450 2.093 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001366168767 1147089428 /nfs/dbraw/zinc/08/94/28/1147089428.db2.gz AMYGDNRXYQZCAR-CALCHBBNSA-N 1 3 303.450 2.072 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1ccc(C)cc1 ZINC001492268465 1147194183 /nfs/dbraw/zinc/19/41/83/1147194183.db2.gz PCRNTNTXJNSTPN-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1ccc(C)cc1 ZINC001492268465 1147194187 /nfs/dbraw/zinc/19/41/87/1147194187.db2.gz PCRNTNTXJNSTPN-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc2c(c1)CCC2)N(C)C ZINC001366292802 1147196055 /nfs/dbraw/zinc/19/60/55/1147196055.db2.gz IOHUXGRYFJQNJW-RDTXWAMCSA-N 1 3 317.477 2.110 20 0 DEADHO Cc1cc(C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)N(C)C)cs1 ZINC001366349902 1147228298 /nfs/dbraw/zinc/22/82/98/1147228298.db2.gz XSABNAXKFCWPCJ-DOMZBBRYSA-N 1 3 311.495 2.237 20 0 DEADHO C[C@H](CCNC(=O)C(C)(C)N1CCCCC1)[NH2+]C/C=C/Cl ZINC001366465136 1147296104 /nfs/dbraw/zinc/29/61/04/1147296104.db2.gz QUSHNBLKFLKNOZ-RCQQVGEISA-N 1 3 315.889 2.488 20 0 DEADHO C[C@H](CCNC(=O)CN(C)CC(C)(C)C)[NH2+]C/C=C/Cl ZINC001366482229 1147303284 /nfs/dbraw/zinc/30/32/84/1147303284.db2.gz FERUWWZSNNPIOH-STMXVASLSA-N 1 3 303.878 2.201 20 0 DEADHO CC[N@H+](C)CCC(=O)NCCN(C)Cc1ccc(C)cc1C ZINC001366576801 1147368004 /nfs/dbraw/zinc/36/80/04/1147368004.db2.gz ANUKHHIKWZDQRM-UHFFFAOYSA-N 1 3 305.466 2.193 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCCN(C)Cc1ccc(C)cc1C ZINC001366576801 1147368013 /nfs/dbraw/zinc/36/80/13/1147368013.db2.gz ANUKHHIKWZDQRM-UHFFFAOYSA-N 1 3 305.466 2.193 20 0 DEADHO CCc1ccc(CN(C)CCNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001366582908 1147372276 /nfs/dbraw/zinc/37/22/76/1147372276.db2.gz CIVGQWWAABUJOG-GOSISDBHSA-N 1 3 317.477 2.139 20 0 DEADHO CCc1ccc(CN(C)CCNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001366582908 1147372283 /nfs/dbraw/zinc/37/22/83/1147372283.db2.gz CIVGQWWAABUJOG-GOSISDBHSA-N 1 3 317.477 2.139 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[N@H+](C)C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001366583819 1147373987 /nfs/dbraw/zinc/37/39/87/1147373987.db2.gz JOVTZFXMCHMVLI-KGLIPLIRSA-N 1 3 319.440 2.056 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[N@@H+](C)C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001366583819 1147373992 /nfs/dbraw/zinc/37/39/92/1147373992.db2.gz JOVTZFXMCHMVLI-KGLIPLIRSA-N 1 3 319.440 2.056 20 0 DEADHO CCc1ccc(CN2CCC[C@@H]2CNC(=O)CC[NH+](C)C)cc1 ZINC001366678661 1147475290 /nfs/dbraw/zinc/47/52/90/1147475290.db2.gz NYBKXXUVWXSVOZ-GOSISDBHSA-N 1 3 317.477 2.281 20 0 DEADHO CC[C@H](C(=O)N(C)CC[NH2+][C@H](C)c1cccc(C)c1)N(C)C ZINC001366775266 1147553681 /nfs/dbraw/zinc/55/36/81/1147553681.db2.gz IWDDCFLQVTVFEO-NVXWUHKLSA-N 1 3 305.466 2.444 20 0 DEADHO CC[C@@H](F)CN(C)CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001316826129 1147591007 /nfs/dbraw/zinc/59/10/07/1147591007.db2.gz YBSRSWARBASQML-OAHLLOKOSA-N 1 3 315.477 2.437 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCC1CC1)N(C)C ZINC001317190175 1147673594 /nfs/dbraw/zinc/67/35/94/1147673594.db2.gz MXUMYYHXGVQOSI-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CCc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)Cc2c[nH]cn2)c1 ZINC001367383647 1147686887 /nfs/dbraw/zinc/68/68/87/1147686887.db2.gz FMLRDZJGOMQAOI-CQSZACIVSA-N 1 3 314.433 2.151 20 0 DEADHO CN(CC[N@H+](C)CCC1CCCCC1)C(=O)[C@H]1CCCN1C ZINC001367511518 1147706011 /nfs/dbraw/zinc/70/60/11/1147706011.db2.gz QZXKMDCVYVUXHU-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CN(CC[N@@H+](C)CCC1CCCCC1)C(=O)[C@H]1CCCN1C ZINC001367511518 1147706012 /nfs/dbraw/zinc/70/60/12/1147706012.db2.gz QZXKMDCVYVUXHU-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001367676215 1147725641 /nfs/dbraw/zinc/72/56/41/1147725641.db2.gz ONLGWIARIWMXBC-KGLIPLIRSA-N 1 3 321.440 2.465 20 0 DEADHO CN(CC[NH2+]CC/C=C\c1ccccc1)C(=O)[C@@H]1CCCN1C ZINC001317573481 1147727206 /nfs/dbraw/zinc/72/72/06/1147727206.db2.gz PNCDUNAITFLUSV-SNMSSPIJSA-N 1 3 315.461 2.232 20 0 DEADHO Cc1cc(Cl)ccc1C[NH2+]CCN(C)C(=O)[C@@H]1CCCN1C ZINC001317573389 1147727273 /nfs/dbraw/zinc/72/72/73/1147727273.db2.gz PAMRAGMPUYBVJU-INIZCTEOSA-N 1 3 323.868 2.291 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1c(C)cccc1C)N(C)C ZINC001367700877 1147729547 /nfs/dbraw/zinc/72/95/47/1147729547.db2.gz ZUINWAJBODSSEG-WBVHZDCISA-N 1 3 305.466 2.238 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]Cc1cc(C)sc1C ZINC001367707464 1147730460 /nfs/dbraw/zinc/73/04/60/1147730460.db2.gz GFWYLIREOIJCNI-GFCCVEGCSA-N 1 3 311.495 2.301 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCc2c1cccc2F)N(C)C ZINC001367738783 1147735643 /nfs/dbraw/zinc/73/56/43/1147735643.db2.gz DOIXKDBSDHGUBZ-JCURWCKSSA-N 1 3 321.440 2.248 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001367757449 1147738450 /nfs/dbraw/zinc/73/84/50/1147738450.db2.gz MDPROCNBRMUIKA-WFASDCNBSA-N 1 3 311.857 2.275 20 0 DEADHO C[C@H](C[N@H+](C)CCCC1CCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001367829012 1147754946 /nfs/dbraw/zinc/75/49/46/1147754946.db2.gz DKRGEJQHQLPPKE-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](C[N@@H+](C)CCCC1CCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001367829012 1147754948 /nfs/dbraw/zinc/75/49/48/1147754948.db2.gz DKRGEJQHQLPPKE-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](C[N@H+](C)CCCC1CCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001367829005 1147754977 /nfs/dbraw/zinc/75/49/77/1147754977.db2.gz DKRGEJQHQLPPKE-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCC1CCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001367829005 1147754978 /nfs/dbraw/zinc/75/49/78/1147754978.db2.gz DKRGEJQHQLPPKE-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[N@H+](C)C[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001367832174 1147755425 /nfs/dbraw/zinc/75/54/25/1147755425.db2.gz KGMGWOHZOYKQFL-WMLDXEAASA-N 1 3 315.477 2.291 20 0 DEADHO CC(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001367832174 1147755426 /nfs/dbraw/zinc/75/54/26/1147755426.db2.gz KGMGWOHZOYKQFL-WMLDXEAASA-N 1 3 315.477 2.291 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(CF)cc1)N(C)C ZINC001367847331 1147759920 /nfs/dbraw/zinc/75/99/20/1147759920.db2.gz HGWCKVSCHVHEMN-YOEHRIQHSA-N 1 3 323.456 2.433 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(CF)cc1)N(C)C ZINC001367847331 1147759922 /nfs/dbraw/zinc/75/99/22/1147759922.db2.gz HGWCKVSCHVHEMN-YOEHRIQHSA-N 1 3 323.456 2.433 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCC2CC2)[C@@H](CC)C1 ZINC001367942075 1147794646 /nfs/dbraw/zinc/79/46/46/1147794646.db2.gz OTYIHWCTRISYKB-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H](CC[NH2+]C/C=C\Cl)C2)CCC1 ZINC001326288951 1148070639 /nfs/dbraw/zinc/07/06/39/1148070639.db2.gz PNXJKQCYYAUERT-RXTQTKKPSA-N 1 3 313.873 2.051 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H](CC[NH2+]C/C=C\Cl)C1)N(C)C ZINC001326351448 1148083386 /nfs/dbraw/zinc/08/33/86/1148083386.db2.gz GLMVZGFVSUBIBM-DNWYELSFSA-N 1 3 315.889 2.153 20 0 DEADHO CN(C)CCN(C(=O)NCC[N@H+](C)C1CCCC1)C1CCCC1 ZINC000125179298 282088056 /nfs/dbraw/zinc/08/80/56/282088056.db2.gz PXTLAWACZKZWEE-UHFFFAOYSA-N 1 3 324.513 2.377 20 0 DEADHO CN(C)CCN(C(=O)NCC[N@@H+](C)C1CCCC1)C1CCCC1 ZINC000125179298 282088063 /nfs/dbraw/zinc/08/80/63/282088063.db2.gz PXTLAWACZKZWEE-UHFFFAOYSA-N 1 3 324.513 2.377 20 0 DEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000423737274 230542322 /nfs/dbraw/zinc/54/23/22/230542322.db2.gz AAXXSSDKXPOZKX-KRWDZBQOSA-N 1 3 321.440 2.248 20 0 DEADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000624785851 365549484 /nfs/dbraw/zinc/54/94/84/365549484.db2.gz VOXCUYSBCJAKJW-WBVHZDCISA-N 1 3 322.497 2.034 20 0 DEADHO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000624785851 365549490 /nfs/dbraw/zinc/54/94/90/365549490.db2.gz VOXCUYSBCJAKJW-WBVHZDCISA-N 1 3 322.497 2.034 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000417831642 529450688 /nfs/dbraw/zinc/45/06/88/529450688.db2.gz IAYSBWZYPWIUJO-XIRDDKMYSA-N 1 3 318.465 2.076 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000417447961 529608867 /nfs/dbraw/zinc/60/88/67/529608867.db2.gz SGCPYSBTHAHXLS-PBHICJAKSA-N 1 3 320.481 2.278 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)NCC[N@H+](C)[C@H](C)CC ZINC000417447961 529608870 /nfs/dbraw/zinc/60/88/70/529608870.db2.gz SGCPYSBTHAHXLS-PBHICJAKSA-N 1 3 320.481 2.278 20 0 DEADHO CC[C@H](NCc1ccc(OCCN(C)C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422896427 529628483 /nfs/dbraw/zinc/62/84/83/529628483.db2.gz IGWXARYAEYPSBR-ROUUACIJSA-N 1 3 305.466 2.247 20 0 DEADHO c1ccc(CN2CCC(OCCC[NH2+][C@H]3CCOC3)CC2)cc1 ZINC000088739676 185263550 /nfs/dbraw/zinc/26/35/50/185263550.db2.gz KKUZRTCRZIDGNB-SFHVURJKSA-N 1 3 318.461 2.436 20 0 DEADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCCNCC3)ccc21 ZINC000415796360 282225840 /nfs/dbraw/zinc/22/58/40/282225840.db2.gz XYQFBJBFNNEIOK-MRXNPFEDSA-N 1 3 302.422 2.063 20 0 DEADHO CN1CCC(Oc2ccc(CN[C@H]3CCC[NH2+]CC3)cc2)CC1 ZINC000423107715 530051020 /nfs/dbraw/zinc/05/10/20/530051020.db2.gz QBRHRYBXEMFUSL-KRWDZBQOSA-N 1 3 317.477 2.391 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000245583566 282398577 /nfs/dbraw/zinc/39/85/77/282398577.db2.gz AALIIYHAKNHBMK-IAGOWNOFSA-N 1 3 324.513 2.282 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000245583566 282398579 /nfs/dbraw/zinc/39/85/79/282398579.db2.gz AALIIYHAKNHBMK-IAGOWNOFSA-N 1 3 324.513 2.282 20 0 DEADHO CC[C@H](C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1)N(C)C ZINC000615443665 362608360 /nfs/dbraw/zinc/60/83/60/362608360.db2.gz LQXIIKSKXBIETO-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO O=S(=O)(CCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000166343238 539608823 /nfs/dbraw/zinc/60/88/23/539608823.db2.gz GDTYZBCXCPVYIY-JKSUJKDBSA-N 1 3 322.474 2.067 20 0 DEADHO O=S(=O)(CCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000166343238 539608828 /nfs/dbraw/zinc/60/88/28/539608828.db2.gz GDTYZBCXCPVYIY-JKSUJKDBSA-N 1 3 322.474 2.067 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1ccsc1 ZINC000236880940 539740741 /nfs/dbraw/zinc/74/07/41/539740741.db2.gz YSZYAONXPGMQFC-QLFBSQMISA-N 1 3 309.479 2.375 20 0 DEADHO CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])[C@@H]1c1cccs1 ZINC000237116557 539742911 /nfs/dbraw/zinc/74/29/11/539742911.db2.gz GCFJCWGKZNNELG-KNCOVGOOSA-N 1 3 321.490 2.375 20 0 DEADHO [NH3+]C1(CC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CCC1 ZINC000238007614 539753174 /nfs/dbraw/zinc/75/31/74/539753174.db2.gz RKRNPBIWGNNKGH-MRXNPFEDSA-N 1 3 301.434 2.039 20 0 DEADHO [NH3+]C1(CC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCC1 ZINC000237998922 539753285 /nfs/dbraw/zinc/75/32/85/539753285.db2.gz MXUOCLLKFVWZEW-INIZCTEOSA-N 1 3 301.434 2.211 20 0 DEADHO Cc1n[nH]cc1[C@H](C)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000248462815 539773835 /nfs/dbraw/zinc/77/38/35/539773835.db2.gz YOHRBYMYBQJBFE-SUMWQHHRSA-N 1 3 314.433 2.136 20 0 DEADHO Cc1n[nH]cc1[C@H](C)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248462815 539773840 /nfs/dbraw/zinc/77/38/40/539773840.db2.gz YOHRBYMYBQJBFE-SUMWQHHRSA-N 1 3 314.433 2.136 20 0 DEADHO Cc1cccc(C[C@H]([NH2+]CC2(O)CCN(C)CC2)C2CC2)c1 ZINC000268981684 282693374 /nfs/dbraw/zinc/69/33/74/282693374.db2.gz KRFYDFDZEXYGJK-SFHVURJKSA-N 1 3 302.462 2.362 20 0 DEADHO CC(C)[NH+](CCCNC(=O)NCCN1CCCCC1)C(C)C ZINC000080626415 192173766 /nfs/dbraw/zinc/17/37/66/192173766.db2.gz BOAWTHZFKKROKM-UHFFFAOYSA-N 1 3 312.502 2.280 20 0 DEADHO c1cc(CCN2CCC(OCC[NH+]3CCCC3)CC2)ccn1 ZINC000173959031 198273315 /nfs/dbraw/zinc/27/33/15/198273315.db2.gz GUHRUYWWNAPTLB-UHFFFAOYSA-N 1 3 303.450 2.201 20 0 DEADHO COc1ccc(OC)c(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339075561 539985800 /nfs/dbraw/zinc/98/58/00/539985800.db2.gz PDDHDHFQHGXDPB-HOTGVXAUSA-N 1 3 304.434 2.463 20 0 DEADHO COc1ccc(OC)c(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339075561 539985806 /nfs/dbraw/zinc/98/58/06/539985806.db2.gz PDDHDHFQHGXDPB-HOTGVXAUSA-N 1 3 304.434 2.463 20 0 DEADHO C[C@@H]1CCCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000028659679 354101940 /nfs/dbraw/zinc/10/19/40/354101940.db2.gz ZKSDYRPMHXCYBH-NVXWUHKLSA-N 1 3 303.450 2.137 20 0 DEADHO CC1(C)CC(NC(=O)NCCN2CCCCC2)CC(C)(C)[NH2+]1 ZINC000042910140 354208282 /nfs/dbraw/zinc/20/82/82/354208282.db2.gz VSKPQACOXQWKSW-UHFFFAOYSA-N 1 3 310.486 2.081 20 0 DEADHO CC[NH+]1CCC(NC(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000044291885 354232403 /nfs/dbraw/zinc/23/24/03/354232403.db2.gz FZHVIOJXYLLRBN-UHFFFAOYSA-N 1 3 304.438 2.354 20 0 DEADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@H]2CC[C@H]2C2CC2)c1 ZINC000348106584 540020277 /nfs/dbraw/zinc/02/02/77/540020277.db2.gz HYDLHQBCDWFLOB-ROUUACIJSA-N 1 3 315.461 2.256 20 0 DEADHO CCC[C@@H](C)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759994 354388937 /nfs/dbraw/zinc/38/89/37/354388937.db2.gz BOYJIQJKSHUGBL-OAHLLOKOSA-N 1 3 324.513 2.375 20 0 DEADHO C[NH+](C)C1CCC(NC(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000332473627 235009444 /nfs/dbraw/zinc/00/94/44/235009444.db2.gz SRDXGTXDMJLPBH-UHFFFAOYSA-N 1 3 316.449 2.327 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000073701146 354976690 /nfs/dbraw/zinc/97/66/90/354976690.db2.gz PPHJPWJUCMZTNH-DLBZAZTESA-N 1 3 301.434 2.105 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000073701146 354976695 /nfs/dbraw/zinc/97/66/95/354976695.db2.gz PPHJPWJUCMZTNH-DLBZAZTESA-N 1 3 301.434 2.105 20 0 DEADHO CC[NH+](CC)C[C@@H](C)NC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000351710366 540059017 /nfs/dbraw/zinc/05/90/17/540059017.db2.gz PDWMTBUBFDJZPE-HUUCEWRRSA-N 1 3 312.502 2.088 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000074298083 355020259 /nfs/dbraw/zinc/02/02/59/355020259.db2.gz QVZUUIRRXFGXTE-SJORKVTESA-N 1 3 307.482 2.051 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000074298083 355020271 /nfs/dbraw/zinc/02/02/71/355020271.db2.gz QVZUUIRRXFGXTE-SJORKVTESA-N 1 3 307.482 2.051 20 0 DEADHO O=C(CC[N@@H+]1CC[C@@H](CN2CCCCC2)C1)N1CCCCC1 ZINC000075835143 355108414 /nfs/dbraw/zinc/10/84/14/355108414.db2.gz HTRFHNZOQUEPRD-KRWDZBQOSA-N 1 3 307.482 2.197 20 0 DEADHO O=C(CC[N@H+]1CC[C@@H](CN2CCCCC2)C1)N1CCCCC1 ZINC000075835143 355108416 /nfs/dbraw/zinc/10/84/16/355108416.db2.gz HTRFHNZOQUEPRD-KRWDZBQOSA-N 1 3 307.482 2.197 20 0 DEADHO CC(C)C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[NH+](C)C ZINC000073620905 191333076 /nfs/dbraw/zinc/33/30/76/191333076.db2.gz NCAOIJIIGHOGRP-KRWDZBQOSA-N 1 3 305.466 2.454 20 0 DEADHO COc1ccc2ccccc2c1C[NH2+]CC1(O)CCN(C)CC1 ZINC000077450596 355205408 /nfs/dbraw/zinc/20/54/08/355205408.db2.gz SMKDFFMKGGDIMR-UHFFFAOYSA-N 1 3 314.429 2.395 20 0 DEADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000089215587 355521778 /nfs/dbraw/zinc/52/17/78/355521778.db2.gz KDXGPXWHMUJFFR-QAPCUYQASA-N 1 3 302.466 2.228 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000457704533 295904585 /nfs/dbraw/zinc/90/45/85/295904585.db2.gz FREHQQGQVOGJDP-HNNXBMFYSA-N 1 3 312.502 2.280 20 0 DEADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(F)cn2)CC1 ZINC000092746061 355648970 /nfs/dbraw/zinc/64/89/70/355648970.db2.gz BMHVGYAEDLGZQY-LSDHHAIUSA-N 1 3 308.445 2.145 20 0 DEADHO CCOc1cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000119926695 355788711 /nfs/dbraw/zinc/78/87/11/355788711.db2.gz BFIYIRJWVPIHFI-UHFFFAOYSA-N 1 3 322.453 2.042 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H]2C[C@@H](OC)C2(CC)CC)CC1 ZINC000181492654 356082591 /nfs/dbraw/zinc/08/25/91/356082591.db2.gz CFIZSNACLZURLJ-DLBZAZTESA-N 1 3 311.514 2.197 20 0 DEADHO C[C@@H](CNC(=O)NCC[C@H](C)[NH+]1CCCCC1)N(C)C1CC1 ZINC000181711088 356091960 /nfs/dbraw/zinc/09/19/60/356091960.db2.gz XNHMJLWUQVTATA-GJZGRUSLSA-N 1 3 310.486 2.033 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000181831162 356097139 /nfs/dbraw/zinc/09/71/39/356097139.db2.gz UAUILNXHURYLMN-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237496430 356298209 /nfs/dbraw/zinc/29/82/09/356298209.db2.gz KSOMPHRNCPHSLI-DOTOQJQBSA-N 1 3 303.450 2.457 20 0 DEADHO C[C@H](CC(=O)N1CCC[C@@H]1CN1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000262647738 356343175 /nfs/dbraw/zinc/34/31/75/356343175.db2.gz AJFRBNMUPWRLOL-FGTMMUONSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@H](C)[NH3+] ZINC000399540298 283153162 /nfs/dbraw/zinc/15/31/62/283153162.db2.gz WLMAFXVSKMJJSU-ATLSCFEFSA-N 1 3 317.477 2.385 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000236851311 202038052 /nfs/dbraw/zinc/03/80/52/202038052.db2.gz MZBLROBQYYHOEO-QGZVFWFLSA-N 1 3 303.450 2.315 20 0 DEADHO CCC[C@H]([NH3+])C(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000236866286 202043495 /nfs/dbraw/zinc/04/34/95/202043495.db2.gz XXDRCAHVXVTJME-SJORKVTESA-N 1 3 303.450 2.067 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)C1(N)CCCC1)Cc1ccccc1 ZINC000236873721 202046770 /nfs/dbraw/zinc/04/67/70/202046770.db2.gz DYPDDJQSFJJNBL-KRWDZBQOSA-N 1 3 317.477 2.327 20 0 DEADHO C[C@H](C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)[C@H](N)c1ccccc1 ZINC000423786549 283202728 /nfs/dbraw/zinc/20/27/28/283202728.db2.gz UAEOMBQXUKFLAZ-HPBDAGMYSA-N 1 3 315.461 2.265 20 0 DEADHO C[C@H](C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)[C@H](N)c1ccccc1 ZINC000423786549 283202729 /nfs/dbraw/zinc/20/27/29/283202729.db2.gz UAEOMBQXUKFLAZ-HPBDAGMYSA-N 1 3 315.461 2.265 20 0 DEADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000382765025 356677725 /nfs/dbraw/zinc/67/77/25/356677725.db2.gz ROLUJGUOGWDECV-BQFCYCMXSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@H]1CCN[C@@H](C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000423788335 283204161 /nfs/dbraw/zinc/20/41/61/283204161.db2.gz DEQHOHGBTRISQJ-FUHWJXTLSA-N 1 3 321.509 2.489 20 0 DEADHO [NH3+]CCC1CCN(CCCn2c3ccccc3[nH]c2=O)CC1 ZINC000387337746 356702920 /nfs/dbraw/zinc/70/29/20/356702920.db2.gz VXPMWNXZDIWJLV-UHFFFAOYSA-N 1 3 302.422 2.193 20 0 DEADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1ccccc1CN(C)C ZINC000387417616 356703854 /nfs/dbraw/zinc/70/38/54/356703854.db2.gz FDWXSKAURWDBHD-MRXNPFEDSA-N 1 3 305.466 2.389 20 0 DEADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388551769 356706244 /nfs/dbraw/zinc/70/62/44/356706244.db2.gz WJUHAZBZLGLPBF-SZMVWBNQSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388551768 356706275 /nfs/dbraw/zinc/70/62/75/356706275.db2.gz WJUHAZBZLGLPBF-RYQLBKOJSA-N 1 3 315.461 2.107 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000390954101 356711101 /nfs/dbraw/zinc/71/11/01/356711101.db2.gz UOKUCYPMAFUJAL-SFHVURJKSA-N 1 3 317.477 2.135 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000390954101 356711104 /nfs/dbraw/zinc/71/11/04/356711104.db2.gz UOKUCYPMAFUJAL-SFHVURJKSA-N 1 3 317.477 2.135 20 0 DEADHO COc1ccc([N+](=O)[O-])cc1CN[C@H](C)C1CC[NH+](C)CC1 ZINC000396496253 356716684 /nfs/dbraw/zinc/71/66/84/356716684.db2.gz RGKZNSWHXWGXFI-GFCCVEGCSA-N 1 3 307.394 2.423 20 0 DEADHO CCN1CCN(CCCC[NH2+]Cc2ccc3c(n2)CCC3)CC1 ZINC000578495599 356826073 /nfs/dbraw/zinc/82/60/73/356826073.db2.gz DXAZFSCWKMIRHR-UHFFFAOYSA-N 1 3 316.493 2.078 20 0 DEADHO C[C@@H](CNCCC(=O)Nc1cccc(F)c1)C[NH+]1CCCC1 ZINC000579703406 357017256 /nfs/dbraw/zinc/01/72/56/357017256.db2.gz KVQSAAIBBPRXJM-AWEZNQCLSA-N 1 3 307.413 2.476 20 0 DEADHO C[C@@H](C[NH2+]CCC(=O)Nc1cccc(F)c1)CN1CCCC1 ZINC000579703406 357017259 /nfs/dbraw/zinc/01/72/59/357017259.db2.gz KVQSAAIBBPRXJM-AWEZNQCLSA-N 1 3 307.413 2.476 20 0 DEADHO CC[NH2+]CC1CCN(C(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000581250089 357155412 /nfs/dbraw/zinc/15/54/12/357155412.db2.gz XADPHAKXJLEDOD-UHFFFAOYSA-N 1 3 303.450 2.210 20 0 DEADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000584717793 357296661 /nfs/dbraw/zinc/29/66/61/357296661.db2.gz IFLKCBJPWLBVET-CVEARBPZSA-N 1 3 320.481 2.194 20 0 DEADHO CC[C@H]1CN(C)CCCN1C(=O)CSCC[NH+](CC)CC ZINC000588821552 357426445 /nfs/dbraw/zinc/42/64/45/357426445.db2.gz JDLIEHWOOWNSGN-HNNXBMFYSA-N 1 3 315.527 2.004 20 0 DEADHO COC(=O)C1(C[NH2+]C2CCN(c3ccncc3)CC2)CCCC1 ZINC000590959809 357653535 /nfs/dbraw/zinc/65/35/35/357653535.db2.gz KFORAMHOIHKYTF-UHFFFAOYSA-N 1 3 317.433 2.373 20 0 DEADHO COC(=O)COc1ccccc1[C@H](C)N[C@H]1CC12CC[NH2+]CC2 ZINC000591581208 357737767 /nfs/dbraw/zinc/73/77/67/357737767.db2.gz NSBJZTJKNVPGHZ-BBRMVZONSA-N 1 3 318.417 2.031 20 0 DEADHO CSC1(CNCc2ccnn2CC(C)C)CC[NH+](C)CC1 ZINC000592368114 357867890 /nfs/dbraw/zinc/86/78/90/357867890.db2.gz ONKUWMCZFQXOEW-UHFFFAOYSA-N 1 3 310.511 2.456 20 0 DEADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000662686438 540332984 /nfs/dbraw/zinc/33/29/84/540332984.db2.gz NDLFZORBDKAAOW-RYRKJORJSA-N 1 3 317.433 2.194 20 0 DEADHO CC(C)(C)CC[N@@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663510524 540339774 /nfs/dbraw/zinc/33/97/74/540339774.db2.gz GFJZJESTDZKIDT-HNNXBMFYSA-N 1 3 319.497 2.435 20 0 DEADHO CC(C)(C)CC[N@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663510524 540339777 /nfs/dbraw/zinc/33/97/77/540339777.db2.gz GFJZJESTDZKIDT-HNNXBMFYSA-N 1 3 319.497 2.435 20 0 DEADHO CCC[N@H+](C)CC(C)(C)NC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000665270003 540349112 /nfs/dbraw/zinc/34/91/12/540349112.db2.gz QHWWCWWOSPIGBO-JKSUJKDBSA-N 1 3 324.513 2.423 20 0 DEADHO CCC[N@@H+](C)CC(C)(C)NC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000665270003 540349116 /nfs/dbraw/zinc/34/91/16/540349116.db2.gz QHWWCWWOSPIGBO-JKSUJKDBSA-N 1 3 324.513 2.423 20 0 DEADHO Fc1ccc(CCN2CCC([NH2+]C[C@@H]3C[C@H](F)CN3)CC2)cc1 ZINC000666946968 540368409 /nfs/dbraw/zinc/36/84/09/540368409.db2.gz VFALLJHVOIKVQT-WMZOPIPTSA-N 1 3 323.431 2.122 20 0 DEADHO NCc1cn([C@H]2CCC[N@H+](Cc3coc4ccccc34)C2)nn1 ZINC000667040522 540384611 /nfs/dbraw/zinc/38/46/11/540384611.db2.gz YZGPJWFNQAPSDO-HNNXBMFYSA-N 1 3 311.389 2.320 20 0 DEADHO NCc1cn([C@H]2CCC[N@@H+](Cc3coc4ccccc34)C2)nn1 ZINC000667040522 540384612 /nfs/dbraw/zinc/38/46/12/540384612.db2.gz YZGPJWFNQAPSDO-HNNXBMFYSA-N 1 3 311.389 2.320 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000344176339 283337039 /nfs/dbraw/zinc/33/70/39/283337039.db2.gz NIFDKWZMAFSRAG-KRWDZBQOSA-N 1 3 321.465 2.434 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000344176339 283337045 /nfs/dbraw/zinc/33/70/45/283337045.db2.gz NIFDKWZMAFSRAG-KRWDZBQOSA-N 1 3 321.465 2.434 20 0 DEADHO CC[NH+](CC)CCSCC(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000597924841 359043392 /nfs/dbraw/zinc/04/33/92/359043392.db2.gz SLQWGHXJADGGMU-CQSZACIVSA-N 1 3 315.527 2.050 20 0 DEADHO CC[C@@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C1CC1 ZINC000618872035 363622430 /nfs/dbraw/zinc/62/24/30/363622430.db2.gz RIVAAEAHFQZJLJ-GOSISDBHSA-N 1 3 321.509 2.488 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCC[C@H]4C[C@H]43)CC2)CC1 ZINC000667641973 540494787 /nfs/dbraw/zinc/49/47/87/540494787.db2.gz KMCUNAQOOZHOCU-BMGDILEWSA-N 1 3 319.493 2.097 20 0 DEADHO C[NH+](C)CC1CCC(NC(=O)Nc2cccc(CN)c2)CC1 ZINC000667723701 540514351 /nfs/dbraw/zinc/51/43/51/540514351.db2.gz BJTCQVMATOCDIB-UHFFFAOYSA-N 1 3 304.438 2.387 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(CN)c2)C1 ZINC000667726647 540515312 /nfs/dbraw/zinc/51/53/12/540515312.db2.gz VUPOPJHVWAWGTB-HNNXBMFYSA-N 1 3 304.438 2.341 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(CN)c2)C1 ZINC000667726647 540515314 /nfs/dbraw/zinc/51/53/14/540515314.db2.gz VUPOPJHVWAWGTB-HNNXBMFYSA-N 1 3 304.438 2.341 20 0 DEADHO CN(C)Cc1cccc(CNC(=O)NCC2([NH+](C)C)CCC2)c1 ZINC000429122067 237332465 /nfs/dbraw/zinc/33/24/65/237332465.db2.gz JAUHNQKPFFNZES-UHFFFAOYSA-N 1 3 318.465 2.032 20 0 DEADHO C[C@]1(C(=O)NCC2CCN(Cc3cccs3)CC2)CC[NH2+]C1 ZINC000237549767 202279707 /nfs/dbraw/zinc/27/97/07/202279707.db2.gz PHNARAQGRQGBOS-KRWDZBQOSA-N 1 3 321.490 2.076 20 0 DEADHO CCN(C(=O)c1cccc(CN(C)C)c1)C1CC[NH+](C)CC1 ZINC000627619240 366567450 /nfs/dbraw/zinc/56/74/50/366567450.db2.gz YQBYAWXYAATDNT-UHFFFAOYSA-N 1 3 303.450 2.305 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C1CC[NH2+]CC1 ZINC000237677410 202324774 /nfs/dbraw/zinc/32/47/74/202324774.db2.gz LMTLDFSFMNNMDQ-INIZCTEOSA-N 1 3 315.461 2.109 20 0 DEADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)C1 ZINC000601244527 359980115 /nfs/dbraw/zinc/98/01/15/359980115.db2.gz TVYZSYMMWUJBTN-IKGGRYGDSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000443077644 238103559 /nfs/dbraw/zinc/10/35/59/238103559.db2.gz VCGMTEYUGXWSLB-HUUCEWRRSA-N 1 3 321.440 2.406 20 0 DEADHO [NH3+][C@@H](CCC(=O)NCc1ccc2c(c1)CNC2)c1ccccc1 ZINC000669514645 540849320 /nfs/dbraw/zinc/84/93/20/540849320.db2.gz WILIQFCRGJXPLK-SFHVURJKSA-N 1 3 309.413 2.386 20 0 DEADHO CN(CCC[NH3+])C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669483861 540841755 /nfs/dbraw/zinc/84/17/55/540841755.db2.gz PQWSCJJLOHYBBE-KRWDZBQOSA-N 1 3 318.465 2.204 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NC/C=C\C[NH3+])CC1 ZINC000669486954 540842476 /nfs/dbraw/zinc/84/24/76/540842476.db2.gz YUFPMWQGAVCMEZ-YVACAVLKSA-N 1 3 316.449 2.026 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC[NH2+]C1CC1)N(C)C ZINC000669583532 540869061 /nfs/dbraw/zinc/86/90/61/540869061.db2.gz SOARGRGYZMFCNM-YOEHRIQHSA-N 1 3 318.465 2.037 20 0 DEADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCCN1CCCCCC1=O ZINC000422750834 296026555 /nfs/dbraw/zinc/02/65/55/296026555.db2.gz DQGFOVCOYIECJW-AEFFLSMTSA-N 1 3 317.477 2.327 20 0 DEADHO CCN(CC(C)C[N@H+](CC)C[C@@H]1CCOC1)C[C@@H]1CCOC1 ZINC000605575254 360981422 /nfs/dbraw/zinc/98/14/22/360981422.db2.gz XLTNVGRUYZDVBZ-ROUUACIJSA-N 1 3 312.498 2.339 20 0 DEADHO CCN(CC(C)C[N@@H+](CC)C[C@@H]1CCOC1)C[C@@H]1CCOC1 ZINC000605575254 360981425 /nfs/dbraw/zinc/98/14/25/360981425.db2.gz XLTNVGRUYZDVBZ-ROUUACIJSA-N 1 3 312.498 2.339 20 0 DEADHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)C1CC[NH+](C)CC1 ZINC000673670237 541130204 /nfs/dbraw/zinc/13/02/04/541130204.db2.gz HWEYATKBBLSKOI-CQSZACIVSA-N 1 3 303.450 2.208 20 0 DEADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1CCCCN1CC ZINC000675187943 541298203 /nfs/dbraw/zinc/29/82/03/541298203.db2.gz GBLAEGZTJMZNNC-JKSUJKDBSA-N 1 3 310.486 2.034 20 0 DEADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1CCCCN1CC ZINC000675187939 541298578 /nfs/dbraw/zinc/29/85/78/541298578.db2.gz GBLAEGZTJMZNNC-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000675193126 541299892 /nfs/dbraw/zinc/29/98/92/541299892.db2.gz DKMOPJSIQJNKIQ-BRWVUGGUSA-N 1 3 324.513 2.375 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000675193126 541299897 /nfs/dbraw/zinc/29/98/97/541299897.db2.gz DKMOPJSIQJNKIQ-BRWVUGGUSA-N 1 3 324.513 2.375 20 0 DEADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)[C@H]1CC12CC2 ZINC000527871797 283732348 /nfs/dbraw/zinc/73/23/48/283732348.db2.gz UEFYTHDEDGVQRK-WMLDXEAASA-N 1 3 315.461 2.256 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CC12CCC2 ZINC000675318822 541319700 /nfs/dbraw/zinc/31/97/00/541319700.db2.gz BWOUJQQWAIWEMS-CVEARBPZSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CC12CCC2 ZINC000675318822 541319703 /nfs/dbraw/zinc/31/97/03/541319703.db2.gz BWOUJQQWAIWEMS-CVEARBPZSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)C[C@@H](N)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000621491997 364424454 /nfs/dbraw/zinc/42/44/54/364424454.db2.gz QRUCBJBABGWSKV-QGZVFWFLSA-N 1 3 303.450 2.272 20 0 DEADHO CC(C)(C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)[C@H](N)c1ccccc1 ZINC000621683291 364505389 /nfs/dbraw/zinc/50/53/89/364505389.db2.gz SUWRFNGOFRYBAB-HDMKZQKVSA-N 1 3 301.434 2.052 20 0 DEADHO CCOc1c(OC)cc(CNCC2=CC[N@H+](C)CC2)cc1OC ZINC000271814574 209239289 /nfs/dbraw/zinc/23/92/89/209239289.db2.gz BWQUGXBEYCCNQT-UHFFFAOYSA-N 1 3 320.433 2.454 20 0 DEADHO CCOc1c(OC)cc(CNCC2=CC[N@@H+](C)CC2)cc1OC ZINC000271814574 209239291 /nfs/dbraw/zinc/23/92/91/209239291.db2.gz BWQUGXBEYCCNQT-UHFFFAOYSA-N 1 3 320.433 2.454 20 0 DEADHO C[C@@H]([NH3+])C1CCN(C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000623056452 364870051 /nfs/dbraw/zinc/87/00/51/364870051.db2.gz ABJYAZNJVZGRJQ-CYBMUJFWSA-N 1 3 304.438 2.339 20 0 DEADHO C[C@H](NC(=O)Nc1cccc(CN(C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC000623055314 364870285 /nfs/dbraw/zinc/87/02/85/364870285.db2.gz PBTYLXFQJJXIGU-DZGCQCFKSA-N 1 3 304.438 2.258 20 0 DEADHO C[C@H]1CCN(C(=O)Nc2cccc(CN(C)C)c2)C[C@H]1C[NH3+] ZINC000623069702 364874098 /nfs/dbraw/zinc/87/40/98/364874098.db2.gz MXDFLAHDWCTENS-DZGCQCFKSA-N 1 3 304.438 2.197 20 0 DEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000623965690 365237744 /nfs/dbraw/zinc/23/77/44/365237744.db2.gz RDEKIONSDFEKHU-HZPDHXFCSA-N 1 3 324.513 2.138 20 0 DEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000623965690 365237746 /nfs/dbraw/zinc/23/77/46/365237746.db2.gz RDEKIONSDFEKHU-HZPDHXFCSA-N 1 3 324.513 2.138 20 0 DEADHO CCC[C@H](N)C(=O)N1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000365001000 283886419 /nfs/dbraw/zinc/88/64/19/283886419.db2.gz JRSIADPVDRALJP-BZSNNMDCSA-N 1 3 317.477 2.313 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000676697451 541482922 /nfs/dbraw/zinc/48/29/22/541482922.db2.gz WZWWNXRRJNSLKY-WBVHZDCISA-N 1 3 307.482 2.382 20 0 DEADHO CC1(C)C[C@@]1(CNC[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000629585317 367263898 /nfs/dbraw/zinc/26/38/98/367263898.db2.gz RDQJOXQBOOIFDE-IEBWSBKVSA-N 1 3 302.462 2.401 20 0 DEADHO FC(F)CN1CCC[C@@H]1CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000629518976 367231943 /nfs/dbraw/zinc/23/19/43/367231943.db2.gz NSFHRKLNVJOVPH-APIJFGDWSA-N 1 3 301.425 2.226 20 0 DEADHO Cc1ccc(C(C)(C)CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)nc1 ZINC000629524856 367235372 /nfs/dbraw/zinc/23/53/72/367235372.db2.gz VEAZVIOQCSDRRZ-GVDBMIGSSA-N 1 3 317.477 2.414 20 0 DEADHO O[C@@H](CNCCCSc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000629555260 367247541 /nfs/dbraw/zinc/24/75/41/367247541.db2.gz RFRCBWVBDKOMIK-HNNXBMFYSA-N 1 3 312.454 2.354 20 0 DEADHO CC(C)(C)c1nc(CC[NH2+]C[C@@H](O)CN2CCCC2)cs1 ZINC000629574868 367256665 /nfs/dbraw/zinc/25/66/65/367256665.db2.gz LHTNTAIOYFENHQ-CQSZACIVSA-N 1 3 311.495 2.029 20 0 DEADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC000629954596 367397051 /nfs/dbraw/zinc/39/70/51/367397051.db2.gz QMJKBRUKPPVFEK-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CN(CC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCC1 ZINC000629987329 367423316 /nfs/dbraw/zinc/42/33/16/367423316.db2.gz SLJXANCPMRBAAG-KRWDZBQOSA-N 1 3 315.461 2.109 20 0 DEADHO CN(CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000629987329 367423323 /nfs/dbraw/zinc/42/33/23/367423323.db2.gz SLJXANCPMRBAAG-KRWDZBQOSA-N 1 3 315.461 2.109 20 0 DEADHO C[NH2+]C1(CNC(=O)c2cccc(CN3CCCC3)c2)CCC1 ZINC000629999541 367429540 /nfs/dbraw/zinc/42/95/40/367429540.db2.gz NQTVNGFNSCZHAI-UHFFFAOYSA-N 1 3 301.434 2.154 20 0 DEADHO Cc1cnc(NCC2(N3CCCCC3)CC[NH+](C)CC2)nc1 ZINC000677509427 541598372 /nfs/dbraw/zinc/59/83/72/541598372.db2.gz YAZPHCZJQXKZMT-UHFFFAOYSA-N 1 3 303.454 2.147 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)cc1 ZINC000677695820 541616537 /nfs/dbraw/zinc/61/65/37/541616537.db2.gz TXSFYLBBELGTAL-MSOLQXFVSA-N 1 3 304.434 2.284 20 0 DEADHO CN(C)CCOc1ccc(CC[NH2+]Cc2ccc(=O)[nH]c2)cc1 ZINC000631064589 367996334 /nfs/dbraw/zinc/99/63/34/367996334.db2.gz DNFYEVZTTYSUBN-UHFFFAOYSA-N 1 3 315.417 2.060 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCCc3ncccc32)CC1 ZINC000631570593 368292573 /nfs/dbraw/zinc/29/25/73/368292573.db2.gz RZVOBILMAPVCDZ-QAPCUYQASA-N 1 3 302.466 2.075 20 0 DEADHO C[C@H](c1ccncc1)[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000677905101 541645770 /nfs/dbraw/zinc/64/57/70/541645770.db2.gz NFNPAUUQCFJETH-JFIYKMOQSA-N 1 3 302.466 2.100 20 0 DEADHO C[C@H](c1ccncc1)[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000677905101 541645773 /nfs/dbraw/zinc/64/57/73/541645773.db2.gz NFNPAUUQCFJETH-JFIYKMOQSA-N 1 3 302.466 2.100 20 0 DEADHO C[C@@H](NCC1(c2ccc3c(c2)OCCO3)CCCC1)C1C[NH2+]C1 ZINC000422797202 296120032 /nfs/dbraw/zinc/12/00/32/296120032.db2.gz LMCSMFGQBYDVRP-CQSZACIVSA-N 1 3 316.445 2.467 20 0 DEADHO C[C@@H]([NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1)C1CNC1 ZINC000422797202 296120034 /nfs/dbraw/zinc/12/00/34/296120034.db2.gz LMCSMFGQBYDVRP-CQSZACIVSA-N 1 3 316.445 2.467 20 0 DEADHO C[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)[C@@H](N)c1ccccc1 ZINC000261647818 203086927 /nfs/dbraw/zinc/08/69/27/203086927.db2.gz GBWGTGRCXOPPSP-WQANXHIZSA-N 1 3 323.440 2.276 20 0 DEADHO C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@@H]1CCOC1 ZINC000423364932 299396774 /nfs/dbraw/zinc/39/67/74/299396774.db2.gz KFCADVYSOJTVCS-ZCTGUTNYSA-N 1 3 310.388 2.425 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)CC[C@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000261882103 203143179 /nfs/dbraw/zinc/14/31/79/203143179.db2.gz UGWZUYINBNKBTL-FUHWJXTLSA-N 1 3 317.477 2.358 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000261932482 203156251 /nfs/dbraw/zinc/15/62/51/203156251.db2.gz BSGPJJSRXIABHK-BBWFWOEESA-N 1 3 303.450 2.444 20 0 DEADHO CC(C)C[C@H](CNC(=O)[C@@H](C)[C@H](N)c1ccccc1)[NH+](C)C ZINC000262324849 203263007 /nfs/dbraw/zinc/26/30/07/203263007.db2.gz RLQMJCNALVTMAS-UAGQMJEPSA-N 1 3 305.466 2.415 20 0 DEADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@@H](C)C[NH3+] ZINC000262386217 203280974 /nfs/dbraw/zinc/28/09/74/203280974.db2.gz NQEYCAXCFMEGQZ-ZDUSSCGKSA-N 1 3 307.463 2.077 20 0 DEADHO CC(C)C[C@@H](C)C[N@H+](C)CCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001422201375 1172388057 /nfs/dbraw/zinc/38/80/57/1172388057.db2.gz QVMOEFBJIZVHGY-DLBZAZTESA-N 1 3 311.514 2.401 20 0 DEADHO CC(C)C[C@@H](C)C[N@@H+](C)CCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001422201375 1172388066 /nfs/dbraw/zinc/38/80/66/1172388066.db2.gz QVMOEFBJIZVHGY-DLBZAZTESA-N 1 3 311.514 2.401 20 0 DEADHO CN1CCC(Nc2ccccc2NC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000262629292 203356733 /nfs/dbraw/zinc/35/67/33/203356733.db2.gz DAEKRAIHNQOZDZ-UONOGXRCSA-N 1 3 316.449 2.259 20 0 DEADHO CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000262693897 203384611 /nfs/dbraw/zinc/38/46/11/203384611.db2.gz BRQUNNZCUYZNMT-FUHWJXTLSA-N 1 3 303.450 2.285 20 0 DEADHO COCCN(C)CC[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274914501 212030848 /nfs/dbraw/zinc/03/08/48/212030848.db2.gz NZDYTVSRCXJEFQ-MJGOQNOKSA-N 1 3 319.493 2.065 20 0 DEADHO COCCN(C)CCN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274914501 212030851 /nfs/dbraw/zinc/03/08/51/212030851.db2.gz NZDYTVSRCXJEFQ-MJGOQNOKSA-N 1 3 319.493 2.065 20 0 DEADHO COCCN(C)CCN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274914501 212030854 /nfs/dbraw/zinc/03/08/54/212030854.db2.gz NZDYTVSRCXJEFQ-MJGOQNOKSA-N 1 3 319.493 2.065 20 0 DEADHO C[C@@H]1C[C@H](N[C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)CC[N@@H+]1C ZINC000453343317 245086258 /nfs/dbraw/zinc/08/62/58/245086258.db2.gz DIYONYPQBFFKOA-MTSZKFMLSA-N 1 3 320.481 2.453 20 0 DEADHO C[C@@H]1C[C@H](N[C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)CC[N@H+]1C ZINC000453343317 245086264 /nfs/dbraw/zinc/08/62/64/245086264.db2.gz DIYONYPQBFFKOA-MTSZKFMLSA-N 1 3 320.481 2.453 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](NCCc2cnc(C)cn2)[C@H](C)C1 ZINC000453410863 245123170 /nfs/dbraw/zinc/12/31/70/245123170.db2.gz VLNYXPYXYILGBY-QAPCUYQASA-N 1 3 320.481 2.054 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](NCCc2cnc(C)cn2)[C@H](C)C1 ZINC000453410863 245123177 /nfs/dbraw/zinc/12/31/77/245123177.db2.gz VLNYXPYXYILGBY-QAPCUYQASA-N 1 3 320.481 2.054 20 0 DEADHO COc1cc2c(cc1CNCCCC[N@H+](C)C1CC1)OCO2 ZINC000453595670 245206994 /nfs/dbraw/zinc/20/69/94/245206994.db2.gz KKNBLDFYPRMONL-UHFFFAOYSA-N 1 3 306.406 2.388 20 0 DEADHO COc1cc2c(cc1CNCCCC[N@@H+](C)C1CC1)OCO2 ZINC000453595670 245207009 /nfs/dbraw/zinc/20/70/09/245207009.db2.gz KKNBLDFYPRMONL-UHFFFAOYSA-N 1 3 306.406 2.388 20 0 DEADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCN1C ZINC000266457369 205361178 /nfs/dbraw/zinc/36/11/78/205361178.db2.gz YXBWHQWMLNCXFM-ZWKOTPCHSA-N 1 3 315.461 2.061 20 0 DEADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCN1C ZINC000266457369 205361183 /nfs/dbraw/zinc/36/11/83/205361183.db2.gz YXBWHQWMLNCXFM-ZWKOTPCHSA-N 1 3 315.461 2.061 20 0 DEADHO CN(C)C/C=C/C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266425435 205335738 /nfs/dbraw/zinc/33/57/38/205335738.db2.gz QROOMPJPRVWIDK-HKMNZKMDSA-N 1 3 315.461 2.085 20 0 DEADHO CN(C)C/C=C/C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266425435 205335743 /nfs/dbraw/zinc/33/57/43/205335743.db2.gz QROOMPJPRVWIDK-HKMNZKMDSA-N 1 3 315.461 2.085 20 0 DEADHO COc1cccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530243265 284383865 /nfs/dbraw/zinc/38/38/65/284383865.db2.gz WFQCQJHHHDJSKX-GOSISDBHSA-N 1 3 304.434 2.286 20 0 DEADHO CC(C)N1CC[C@@H](N(C)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000458443621 248312945 /nfs/dbraw/zinc/31/29/45/248312945.db2.gz UBRHFUGNPZIAMD-NVXWUHKLSA-N 1 3 322.497 2.127 20 0 DEADHO CC(C)N1CC[C@@H](N(C)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000458443621 248312949 /nfs/dbraw/zinc/31/29/49/248312949.db2.gz UBRHFUGNPZIAMD-NVXWUHKLSA-N 1 3 322.497 2.127 20 0 DEADHO CCN(CC)[C@H](CN[C@H](C)C1C[NH2+]C1)c1cccc(OC)c1 ZINC000422799432 284825141 /nfs/dbraw/zinc/82/51/41/284825141.db2.gz WRJPFTBDJCBNME-RDTXWAMCSA-N 1 3 305.466 2.276 20 0 DEADHO [NH3+]CCCCCCC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000269237052 207363978 /nfs/dbraw/zinc/36/39/78/207363978.db2.gz NMMLTVFHZMFPNO-KRWDZBQOSA-N 1 3 303.450 2.286 20 0 DEADHO C[C@H]1C[C@@H](O)CN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000682644495 542333838 /nfs/dbraw/zinc/33/38/38/542333838.db2.gz KQKXMYLRZLYNQW-DOTOQJQBSA-N 1 3 304.434 2.116 20 0 DEADHO C[C@@H]([NH3+])c1ccc(C(=O)NCCCNCc2cccnc2)cc1 ZINC000422734197 533002420 /nfs/dbraw/zinc/00/24/20/533002420.db2.gz SHPBFJRMCCZKDS-CQSZACIVSA-N 1 3 312.417 2.011 20 0 DEADHO CN1CCC[C@H](N2CCC(CCC[NH+]3CCCC3)CC2)C1=O ZINC000538712516 285052233 /nfs/dbraw/zinc/05/22/33/285052233.db2.gz NPMVMQHCTBOEPB-KRWDZBQOSA-N 1 3 307.482 2.195 20 0 DEADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H](N)CC(F)F ZINC000423749902 285099131 /nfs/dbraw/zinc/09/91/31/285099131.db2.gz WIZGERIMCBEWAQ-AWEZNQCLSA-N 1 3 313.392 2.079 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(CCN(C)C)C(C)C ZINC000159043510 197321974 /nfs/dbraw/zinc/32/19/74/197321974.db2.gz VWXKWZSXYGWINX-INIZCTEOSA-N 1 3 312.502 2.233 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N(CCN(C)C)C(C)C ZINC000159043510 197321976 /nfs/dbraw/zinc/32/19/76/197321976.db2.gz VWXKWZSXYGWINX-INIZCTEOSA-N 1 3 312.502 2.233 20 0 DEADHO O[C@H](CCc1ccccc1)CNC1CC[NH+](CC2CC2)CC1 ZINC000541558276 285172632 /nfs/dbraw/zinc/17/26/32/285172632.db2.gz NKIPNINAWNCLJS-LJQANCHMSA-N 1 3 302.462 2.444 20 0 DEADHO CCNC(=O)c1ccc(C[NH2+][C@H]2CCN(CC)C[C@@H]2C)cc1 ZINC000156496207 197118172 /nfs/dbraw/zinc/11/81/72/197118172.db2.gz DLAAUAZZALQLLL-YOEHRIQHSA-N 1 3 303.450 2.256 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000154873414 197000773 /nfs/dbraw/zinc/00/07/73/197000773.db2.gz XQXQQOTZIJSEPG-MSOLQXFVSA-N 1 3 315.461 2.305 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000154873414 197000775 /nfs/dbraw/zinc/00/07/75/197000775.db2.gz XQXQQOTZIJSEPG-MSOLQXFVSA-N 1 3 315.461 2.305 20 0 DEADHO CC(CN1CCC12CCOCC2)C[N@@H+]1CCC12CCOCC2 ZINC000683525878 542465644 /nfs/dbraw/zinc/46/56/44/542465644.db2.gz KCXFZXAJDAFYHJ-UHFFFAOYSA-N 1 3 308.466 2.132 20 0 DEADHO CC(CN1CCC12CCOCC2)C[N@H+]1CCC12CCOCC2 ZINC000683525878 542465647 /nfs/dbraw/zinc/46/56/47/542465647.db2.gz KCXFZXAJDAFYHJ-UHFFFAOYSA-N 1 3 308.466 2.132 20 0 DEADHO CCc1cccnc1[C@@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000542811972 285256025 /nfs/dbraw/zinc/25/60/25/285256025.db2.gz HFMGMEHDWAZRRH-MRXNPFEDSA-N 1 3 304.482 2.322 20 0 DEADHO Cc1ccncc1CCCN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000289504632 221025665 /nfs/dbraw/zinc/02/56/65/221025665.db2.gz UAHHAQJRLFESFO-UHFFFAOYSA-N 1 3 318.509 2.280 20 0 DEADHO Cc1ccncc1CCCN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000289504632 221025668 /nfs/dbraw/zinc/02/56/68/221025668.db2.gz UAHHAQJRLFESFO-UHFFFAOYSA-N 1 3 318.509 2.280 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H]2CC[NH2+][C@@H]2C(C)C)N(C)C)cc1 ZINC000289583323 221084075 /nfs/dbraw/zinc/08/40/75/221084075.db2.gz APKJOBXSOJRLDT-OKZBNKHCSA-N 1 3 317.477 2.348 20 0 DEADHO CCN1CC[C@@H](C[NH2+]Cc2ccc(COCCOC)cc2)C1 ZINC000289777125 221220131 /nfs/dbraw/zinc/22/01/31/221220131.db2.gz PUCJMLDKVQXTFH-SFHVURJKSA-N 1 3 306.450 2.281 20 0 DEADHO O[C@H]1Cc2ccccc2[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297691372 285370267 /nfs/dbraw/zinc/37/02/67/285370267.db2.gz PWQYVEYVXNZDOE-OALUTQOASA-N 1 3 309.413 2.298 20 0 DEADHO COCCOc1ccc([C@H](C)N[C@H](C)C[C@H](C)[NH3+])cc1OC ZINC000422892513 533263092 /nfs/dbraw/zinc/26/30/92/533263092.db2.gz NECXAZORPFPSBL-MJBXVCDLSA-N 1 3 310.438 2.497 20 0 DEADHO C[C@@H](NC1CC1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000294777197 533334565 /nfs/dbraw/zinc/33/45/65/533334565.db2.gz NHHNRWYNKWMPRG-CQSZACIVSA-N 1 3 301.434 2.039 20 0 DEADHO C[C@@H](NCc1cccc(OCCN(C)C)c1)[C@H]1CCCC[NH2+]1 ZINC000422896197 533456638 /nfs/dbraw/zinc/45/66/38/533456638.db2.gz HPJVQEZONTYEFE-CRAIPNDOSA-N 1 3 305.466 2.247 20 0 DEADHO C[C@@H](NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CCC[NH2+]1 ZINC000423076317 533422532 /nfs/dbraw/zinc/42/25/32/533422532.db2.gz QVWLTERKKAYOMO-BHIYHBOVSA-N 1 3 317.477 2.008 20 0 DEADHO COc1ccc(CCN[C@H]2CCC[C@@H]2[NH3+])cc1OC(F)F ZINC000422883032 533501952 /nfs/dbraw/zinc/50/19/52/533501952.db2.gz UCNOWPDIUDILDT-RYUDHWBXSA-N 1 3 300.349 2.309 20 0 DEADHO C[C@H](NC(=O)N1CCC[C@H]1CN1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000418338470 533587813 /nfs/dbraw/zinc/58/78/13/533587813.db2.gz JWZPOQXKGNDMES-BBWFWOEESA-N 1 3 322.497 2.034 20 0 DEADHO CN(Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@@H](O)C1CC1 ZINC000685461164 542728132 /nfs/dbraw/zinc/72/81/32/542728132.db2.gz ICGFVHZZGQSPBZ-LJQANCHMSA-N 1 3 318.461 2.364 20 0 DEADHO Cc1nc(C)c(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)s1 ZINC000562751835 292008780 /nfs/dbraw/zinc/00/87/80/292008780.db2.gz HSMTYMBZPYJLEF-CABCVRRESA-N 1 3 309.479 2.478 20 0 DEADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CN2CCC(C)(C)C2)C1 ZINC000562863811 292015121 /nfs/dbraw/zinc/01/51/21/292015121.db2.gz JNVFMIOAMWVOIJ-HOTGVXAUSA-N 1 3 309.498 2.203 20 0 DEADHO CCCN(C)CC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000355474278 133028884 /nfs/dbraw/zinc/02/88/84/133028884.db2.gz RPSMAHCQHWOADU-UHFFFAOYSA-N 1 3 309.429 2.058 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@@H]1CCCCN1CC ZINC000357815574 133102129 /nfs/dbraw/zinc/10/21/29/133102129.db2.gz YIYJRJSKXBCESP-HOTGVXAUSA-N 1 3 312.502 2.280 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@@H]1CCCCN1CC ZINC000357815574 133102130 /nfs/dbraw/zinc/10/21/30/133102130.db2.gz YIYJRJSKXBCESP-HOTGVXAUSA-N 1 3 312.502 2.280 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000357857064 133105589 /nfs/dbraw/zinc/10/55/89/133105589.db2.gz DAPAVMPWOOGCGG-RRFJBIMHSA-N 1 3 310.486 2.031 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000357857064 133105590 /nfs/dbraw/zinc/10/55/90/133105590.db2.gz DAPAVMPWOOGCGG-RRFJBIMHSA-N 1 3 310.486 2.031 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](NCCc2cscn2)[C@@H](C)C1 ZINC000358041559 133117607 /nfs/dbraw/zinc/11/76/07/133117607.db2.gz UAAPGHKVFLYOFE-HOCLYGCPSA-N 1 3 311.495 2.412 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](NCCc2cscn2)[C@@H](C)C1 ZINC000358041559 133117608 /nfs/dbraw/zinc/11/76/08/133117608.db2.gz UAAPGHKVFLYOFE-HOCLYGCPSA-N 1 3 311.495 2.412 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000358111411 133121613 /nfs/dbraw/zinc/12/16/13/133121613.db2.gz MCSJQIACUUDDNL-HOTGVXAUSA-N 1 3 322.497 2.056 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000358111411 133121614 /nfs/dbraw/zinc/12/16/14/133121614.db2.gz MCSJQIACUUDDNL-HOTGVXAUSA-N 1 3 322.497 2.056 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN(C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000358199917 133127924 /nfs/dbraw/zinc/12/79/24/133127924.db2.gz SGXGHQPMKLWKDQ-DOTOQJQBSA-N 1 3 309.498 2.486 20 0 DEADHO CCN1CCC[C@H](C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000358234065 133130504 /nfs/dbraw/zinc/13/05/04/133130504.db2.gz PIZBLMKIMPMTAJ-HUUCEWRRSA-N 1 3 324.490 2.473 20 0 DEADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]CCCN1CCc2ccccc2C1 ZINC000359664052 133138148 /nfs/dbraw/zinc/13/81/48/133138148.db2.gz OQKFTXSWTOQFIQ-VQIMIIECSA-N 1 3 301.478 2.365 20 0 DEADHO CC[NH+](CC)CCCC1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000359879393 133150383 /nfs/dbraw/zinc/15/03/83/133150383.db2.gz QFNZFDAQKXJALC-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO O=C(c1ccoc1)N1CCC([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000359984850 133156333 /nfs/dbraw/zinc/15/63/33/133156333.db2.gz CWCZKJSYKDYRJL-SJORKVTESA-N 1 3 317.433 2.101 20 0 DEADHO O=C(c1ccoc1)N1CCC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000359984850 133156334 /nfs/dbraw/zinc/15/63/34/133156334.db2.gz CWCZKJSYKDYRJL-SJORKVTESA-N 1 3 317.433 2.101 20 0 DEADHO O=C(c1ccoc1)N1CCC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000359984850 133156335 /nfs/dbraw/zinc/15/63/35/133156335.db2.gz CWCZKJSYKDYRJL-SJORKVTESA-N 1 3 317.433 2.101 20 0 DEADHO CC[NH+]1CCC(N(C)C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000360111961 133162703 /nfs/dbraw/zinc/16/27/03/133162703.db2.gz WEUGLGFFKGLOPQ-UHFFFAOYSA-N 1 3 303.450 2.305 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000362405769 133228794 /nfs/dbraw/zinc/22/87/94/133228794.db2.gz XEUZSTPCQDNOES-OLMNPRSZSA-N 1 3 317.477 2.166 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000362405769 133228795 /nfs/dbraw/zinc/22/87/95/133228795.db2.gz XEUZSTPCQDNOES-OLMNPRSZSA-N 1 3 317.477 2.166 20 0 DEADHO C[C@@H](CNC(=O)[C@H]1CCCCC[NH2+]1)N(C)Cc1ccccc1 ZINC000376334701 133291150 /nfs/dbraw/zinc/29/11/50/133291150.db2.gz QMNVHXJNGHJORJ-DOTOQJQBSA-N 1 3 303.450 2.155 20 0 DEADHO CN1CCN(CC2(C)CC[NH+](C[C@@H]3CCC=CO3)CC2)CC1 ZINC000377186387 133322052 /nfs/dbraw/zinc/32/20/52/133322052.db2.gz ALCFYSMGZWOKMS-KRWDZBQOSA-N 1 3 307.482 2.029 20 0 DEADHO NCc1cc(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)cc(C(F)(F)F)c1 ZINC000373366532 133388157 /nfs/dbraw/zinc/38/81/57/133388157.db2.gz SMJUQCXMYKYWLF-JSGCOSHPSA-N 1 3 313.323 2.102 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000563426840 292056802 /nfs/dbraw/zinc/05/68/02/292056802.db2.gz WOCNILLPIRUZGE-FGTMMUONSA-N 1 3 315.461 2.080 20 0 DEADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000563426840 292056803 /nfs/dbraw/zinc/05/68/03/292056803.db2.gz WOCNILLPIRUZGE-FGTMMUONSA-N 1 3 315.461 2.080 20 0 DEADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000564431182 292095287 /nfs/dbraw/zinc/09/52/87/292095287.db2.gz UUTDDQRUUSDBFK-BFYDXBDKSA-N 1 3 322.497 2.068 20 0 DEADHO CCC(C)(C)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000192368375 145073206 /nfs/dbraw/zinc/07/32/06/145073206.db2.gz NCLQQDKVIRZFEX-UHFFFAOYSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H](CNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)N(C)C1CC1 ZINC000246326436 145098474 /nfs/dbraw/zinc/09/84/74/145098474.db2.gz ANAJNGUSJPUGDP-HOTGVXAUSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H](CNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1)N(C)C1CC1 ZINC000246326436 145098476 /nfs/dbraw/zinc/09/84/76/145098476.db2.gz ANAJNGUSJPUGDP-HOTGVXAUSA-N 1 3 324.513 2.280 20 0 DEADHO Cn1nnc2cc(CN3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)ccc21 ZINC000261608738 145209948 /nfs/dbraw/zinc/20/99/48/145209948.db2.gz AJWJAMWQKHRXHU-SJORKVTESA-N 1 3 321.428 2.143 20 0 DEADHO [NH3+][C@@H]1CC[C@H]2CN(CCC(=O)Nc3cccc(Cl)c3)C[C@H]12 ZINC000261733418 145221696 /nfs/dbraw/zinc/22/16/96/145221696.db2.gz RJQBRXJNVOGSND-TUKIKUTGSA-N 1 3 307.825 2.338 20 0 DEADHO O=C(Nc1ccc(O)cc1)C1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261773872 145225274 /nfs/dbraw/zinc/22/52/74/145225274.db2.gz DWJYDYCAQMFVTN-CQSZACIVSA-N 1 3 317.433 2.042 20 0 DEADHO O=C(Nc1ccccc1[O-])C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000261812447 145228815 /nfs/dbraw/zinc/22/88/15/145228815.db2.gz RQLOLILLJMJSDG-UHFFFAOYSA-N 1 3 317.433 2.042 20 0 DEADHO COc1cc(CN2CCC([C@H](C)[NH3+])CC2)cc(OC)c1OC ZINC000262007011 145252748 /nfs/dbraw/zinc/25/27/48/145252748.db2.gz VWQHGZTVMYCOGZ-LBPRGKRZSA-N 1 3 308.422 2.272 20 0 DEADHO C[NH2+]CCC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000262018111 145253893 /nfs/dbraw/zinc/25/38/93/145253893.db2.gz AANDTDHGQMOKTQ-LJQANCHMSA-N 1 3 315.461 2.111 20 0 DEADHO c1cc(N2CCCC2)ncc1CN1CCC2(C1)CC[NH2+]CC2 ZINC000262142858 145266189 /nfs/dbraw/zinc/26/61/89/145266189.db2.gz ZGPGXJPGBUREAM-UHFFFAOYSA-N 1 3 300.450 2.257 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H](C)C1C[NH2+]C1)c1ccsc1 ZINC000262301198 145274751 /nfs/dbraw/zinc/27/47/51/145274751.db2.gz BMROUYVHCXUXGW-SWLSCSKDSA-N 1 3 309.479 2.103 20 0 DEADHO Cc1ccsc1CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262308266 145274814 /nfs/dbraw/zinc/27/48/14/145274814.db2.gz PMAFIDNVLQYYTF-GJZGRUSLSA-N 1 3 321.490 2.137 20 0 DEADHO Cc1ccsc1CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262308263 145274965 /nfs/dbraw/zinc/27/49/65/145274965.db2.gz PMAFIDNVLQYYTF-CABCVRRESA-N 1 3 321.490 2.137 20 0 DEADHO C[C@H](C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1)C1C[NH2+]C1 ZINC000262440180 145284509 /nfs/dbraw/zinc/28/45/09/145284509.db2.gz UUVAVRAHKDJYBI-HEHGZKQESA-N 1 3 321.490 2.103 20 0 DEADHO C[C@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[C@H](N)c1ccccc1 ZINC000316525678 145363250 /nfs/dbraw/zinc/36/32/50/145363250.db2.gz JVKXSGQWMVHCCI-UAGQMJEPSA-N 1 3 301.434 2.019 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)CNC2 ZINC000316996592 145364420 /nfs/dbraw/zinc/36/44/20/145364420.db2.gz KIKRFRHUMQQIIP-AWEZNQCLSA-N 1 3 301.434 2.284 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)CNC2 ZINC000316996592 145364422 /nfs/dbraw/zinc/36/44/22/145364422.db2.gz KIKRFRHUMQQIIP-AWEZNQCLSA-N 1 3 301.434 2.284 20 0 DEADHO C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000346155559 146026326 /nfs/dbraw/zinc/02/63/26/146026326.db2.gz ARMRJBLEIVQAGZ-HOCLYGCPSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)[C@H]1CCCO1 ZINC000346567917 146103623 /nfs/dbraw/zinc/10/36/23/146103623.db2.gz VSQHXMKVGOZCKQ-HNAYVOBHSA-N 1 3 318.461 2.300 20 0 DEADHO Cc1nn(-c2ccncc2)cc1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000346832544 146149228 /nfs/dbraw/zinc/14/92/28/146149228.db2.gz QZUSDJSEFPYCLG-JCGIZDLHSA-N 1 3 311.433 2.135 20 0 DEADHO COCCOc1ccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000346848937 146152595 /nfs/dbraw/zinc/15/25/95/146152595.db2.gz FQWWRPMIZUYPAT-SZMVWBNQSA-N 1 3 304.434 2.271 20 0 DEADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccccc3N3CCOCC3)C[C@@H]21 ZINC000346847469 146152637 /nfs/dbraw/zinc/15/26/37/146152637.db2.gz MPUFCYLYGHZWGZ-RYQLBKOJSA-N 1 3 315.461 2.082 20 0 DEADHO Cc1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1-n1cncn1 ZINC000346855688 146154677 /nfs/dbraw/zinc/15/46/77/146154677.db2.gz VFPYUXYQHAUBJN-YESZJQIVSA-N 1 3 311.433 2.135 20 0 DEADHO C[C@H]1CN(CCc2ccccc2F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000346916316 146164314 /nfs/dbraw/zinc/16/43/14/146164314.db2.gz MJIMTDCFORLXPT-LPHOPBHVSA-N 1 3 319.468 2.326 20 0 DEADHO C[C@H]1C[N@H+](CCc2ccccc2F)CC[C@@H]1N1CCN(C)CC1 ZINC000346916316 146164316 /nfs/dbraw/zinc/16/43/16/146164316.db2.gz MJIMTDCFORLXPT-LPHOPBHVSA-N 1 3 319.468 2.326 20 0 DEADHO C[C@H]1C[N@@H+](CCc2ccccc2F)CC[C@@H]1N1CCN(C)CC1 ZINC000346916316 146164318 /nfs/dbraw/zinc/16/43/18/146164318.db2.gz MJIMTDCFORLXPT-LPHOPBHVSA-N 1 3 319.468 2.326 20 0 DEADHO CC(C)N(C(=O)[C@@H](C)N1CCC([C@@H]2CC[NH2+]C2)CC1)C(C)C ZINC000357075916 147036458 /nfs/dbraw/zinc/03/64/58/147036458.db2.gz JKOQGDLLUAAMLI-NVXWUHKLSA-N 1 3 309.498 2.342 20 0 DEADHO C[C@H](CN(C)C)NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000358522242 147149881 /nfs/dbraw/zinc/14/98/81/147149881.db2.gz JZIBQFSXRNZYSF-BRWVUGGUSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H](CN(C)C)NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000358522242 147149884 /nfs/dbraw/zinc/14/98/84/147149884.db2.gz JZIBQFSXRNZYSF-BRWVUGGUSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H](CNC(=O)[C@H](CN)c1ccc(F)cc1)[N@@H+]1CCCC[C@H]1C ZINC000358853798 147219165 /nfs/dbraw/zinc/21/91/65/147219165.db2.gz INGQCEUESFMENF-CKEIUWERSA-N 1 3 321.440 2.247 20 0 DEADHO C[C@H](CNC(=O)[C@H](CN)c1ccc(F)cc1)[N@H+]1CCCC[C@H]1C ZINC000358853798 147219167 /nfs/dbraw/zinc/21/91/67/147219167.db2.gz INGQCEUESFMENF-CKEIUWERSA-N 1 3 321.440 2.247 20 0 DEADHO N[C@@H](CC(=O)N1CCC2(CC[NH2+]CC2)CC1)c1ccccc1 ZINC000358898875 147227448 /nfs/dbraw/zinc/22/74/48/147227448.db2.gz NXPGJCUUNDPEQA-INIZCTEOSA-N 1 3 301.434 2.069 20 0 DEADHO CC[NH2+][C@H](C)CNC(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000358922824 147231305 /nfs/dbraw/zinc/23/13/05/147231305.db2.gz BYZIULDYWZOYDO-CQSZACIVSA-N 1 3 303.450 2.399 20 0 DEADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000359014072 147247141 /nfs/dbraw/zinc/24/71/41/147247141.db2.gz KMCWLRIUKPBMHP-NEWSRXKRSA-N 1 3 301.478 2.438 20 0 DEADHO CC(C)COC(=O)N1CCC([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000370377079 148012089 /nfs/dbraw/zinc/01/20/89/148012089.db2.gz LOSQEJLJPCUFQM-DLBZAZTESA-N 1 3 323.481 2.460 20 0 DEADHO CC(C)COC(=O)N1CCC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000370377079 148012090 /nfs/dbraw/zinc/01/20/90/148012090.db2.gz LOSQEJLJPCUFQM-DLBZAZTESA-N 1 3 323.481 2.460 20 0 DEADHO CC(C)COC(=O)N1CCC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000370377079 148012093 /nfs/dbraw/zinc/01/20/93/148012093.db2.gz LOSQEJLJPCUFQM-DLBZAZTESA-N 1 3 323.481 2.460 20 0 DEADHO OC[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1CCOC1 ZINC000370665869 148041449 /nfs/dbraw/zinc/04/14/49/148041449.db2.gz QZMVRNMTBPMNDF-CVEARBPZSA-N 1 3 310.482 2.018 20 0 DEADHO OC[C@H](CNC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCOC1 ZINC000370665869 148041451 /nfs/dbraw/zinc/04/14/51/148041451.db2.gz QZMVRNMTBPMNDF-CVEARBPZSA-N 1 3 310.482 2.018 20 0 DEADHO CC1(C)CN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCN1 ZINC000371820788 148143737 /nfs/dbraw/zinc/14/37/37/148143737.db2.gz PPDBPUVSVMAWPA-QGZVFWFLSA-N 1 3 315.461 2.109 20 0 DEADHO CC1(C)CN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCN1 ZINC000371820788 148143738 /nfs/dbraw/zinc/14/37/38/148143738.db2.gz PPDBPUVSVMAWPA-QGZVFWFLSA-N 1 3 315.461 2.109 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)/C=C/C[NH+](C)C)N2CCCC2)cc1 ZINC000265685604 292198330 /nfs/dbraw/zinc/19/83/30/292198330.db2.gz XDBCFGJWRIFZAO-IPLHWJFFSA-N 1 3 315.461 2.366 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)N(C)CC(C)(C)C[NH3+])N(C)C)cc1 ZINC000417314976 292198954 /nfs/dbraw/zinc/19/89/54/292198954.db2.gz RRIMWKBIKAWGLI-MRXNPFEDSA-N 1 3 320.481 2.224 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CC=CCC1 ZINC000074331070 401735577 /nfs/dbraw/zinc/73/55/77/401735577.db2.gz QTKHYDNJRMLARB-IRXDYDNUSA-N 1 3 322.497 2.153 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CC=CCC1 ZINC000074331070 401735579 /nfs/dbraw/zinc/73/55/79/401735579.db2.gz QTKHYDNJRMLARB-IRXDYDNUSA-N 1 3 322.497 2.153 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H](C)C[C@@H](C)C2)CC1 ZINC000127601248 401741836 /nfs/dbraw/zinc/74/18/36/401741836.db2.gz WMOAVUHEPCCMNI-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N(C)C ZINC000126785159 401708001 /nfs/dbraw/zinc/70/80/01/401708001.db2.gz JUDGKIPEFNULMB-OIISXLGYSA-N 1 3 307.482 2.048 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N(C)C ZINC000126785159 401708003 /nfs/dbraw/zinc/70/80/03/401708003.db2.gz JUDGKIPEFNULMB-OIISXLGYSA-N 1 3 307.482 2.048 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NCC[N@H+](C)C1CCCC1 ZINC000111494736 401717172 /nfs/dbraw/zinc/71/71/72/401717172.db2.gz YKZWUSRCLJIMCN-INIZCTEOSA-N 1 3 310.486 2.034 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000111494736 401717173 /nfs/dbraw/zinc/71/71/73/401717173.db2.gz YKZWUSRCLJIMCN-INIZCTEOSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@@H]1Cc2ccccc2[C@@H]1NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000128034814 401760320 /nfs/dbraw/zinc/76/03/20/401760320.db2.gz WPNDZMOPBYEHHE-UWWQBHOKSA-N 1 3 315.461 2.097 20 0 DEADHO C[C@@H]1Cc2ccccc2[C@@H]1NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000128034814 401760322 /nfs/dbraw/zinc/76/03/22/401760322.db2.gz WPNDZMOPBYEHHE-UWWQBHOKSA-N 1 3 315.461 2.097 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCN1CCCCC1 ZINC000113574517 401782668 /nfs/dbraw/zinc/78/26/68/401782668.db2.gz OONXLNXUFIEIEX-INIZCTEOSA-N 1 3 310.486 2.036 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NCCN1CCCCC1 ZINC000113574517 401782670 /nfs/dbraw/zinc/78/26/70/401782670.db2.gz OONXLNXUFIEIEX-INIZCTEOSA-N 1 3 310.486 2.036 20 0 DEADHO CC1CCC(O)(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000130428118 401831558 /nfs/dbraw/zinc/83/15/58/401831558.db2.gz OZZBFFCPYZLWQE-JLAWEPINSA-N 1 3 323.525 2.030 20 0 DEADHO CC1CCC(O)(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000130428118 401831560 /nfs/dbraw/zinc/83/15/60/401831560.db2.gz OZZBFFCPYZLWQE-JLAWEPINSA-N 1 3 323.525 2.030 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000137564274 401984439 /nfs/dbraw/zinc/98/44/39/401984439.db2.gz AYHZEEWGWJEFCZ-KRWDZBQOSA-N 1 3 307.482 2.053 20 0 DEADHO COc1cc(NCCN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc(OC)c1 ZINC000090719745 401987279 /nfs/dbraw/zinc/98/72/79/401987279.db2.gz FEBUCYYYXAKRLL-QWQRMKEZSA-N 1 3 321.465 2.434 20 0 DEADHO COc1cc(NCCN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc(OC)c1 ZINC000090719745 401987281 /nfs/dbraw/zinc/98/72/81/401987281.db2.gz FEBUCYYYXAKRLL-QWQRMKEZSA-N 1 3 321.465 2.434 20 0 DEADHO O=C1CCCN1CCN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121597758 402046058 /nfs/dbraw/zinc/04/60/58/402046058.db2.gz WEIWKXKWMUSOHZ-UHFFFAOYSA-N 1 3 307.482 2.197 20 0 DEADHO CC[C@@H](C(=O)NC1CCN(Cc2ccsc2)CC1)[NH+](C)C ZINC000151759303 402055288 /nfs/dbraw/zinc/05/52/88/402055288.db2.gz HRRMWIXAFKQXMH-HNNXBMFYSA-N 1 3 309.479 2.169 20 0 DEADHO C[C@H](C(=O)NC1CCCC1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123265758 402118972 /nfs/dbraw/zinc/11/89/72/402118972.db2.gz ZJMYGLMQNOZSPB-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H]1CCCCN1C(=O)CN1CCC(CCC[NH+](C)C)CC1 ZINC000123617302 402137720 /nfs/dbraw/zinc/13/77/20/402137720.db2.gz FPJWQOWMOUITFI-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000124224747 402170362 /nfs/dbraw/zinc/17/03/62/402170362.db2.gz BPCVTGQRTPDXOL-JKSUJKDBSA-N 1 3 313.449 2.393 20 0 DEADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000124224747 402170366 /nfs/dbraw/zinc/17/03/66/402170366.db2.gz BPCVTGQRTPDXOL-JKSUJKDBSA-N 1 3 313.449 2.393 20 0 DEADHO CC[N@@H+]1CC[C@@H](N(C)C[C@@H](O)COCc2ccccc2)[C@H](C)C1 ZINC000125781314 402249518 /nfs/dbraw/zinc/24/95/18/402249518.db2.gz IAHKKXHDENWOOU-BHIYHBOVSA-N 1 3 320.477 2.226 20 0 DEADHO CC[N@H+]1CC[C@@H](N(C)C[C@@H](O)COCc2ccccc2)[C@H](C)C1 ZINC000125781314 402249520 /nfs/dbraw/zinc/24/95/20/402249520.db2.gz IAHKKXHDENWOOU-BHIYHBOVSA-N 1 3 320.477 2.226 20 0 DEADHO C[C@H](CNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)N(C)C1CC1 ZINC000105126335 402206226 /nfs/dbraw/zinc/20/62/26/402206226.db2.gz XJOKXFYUUIRSLP-PBHICJAKSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000105134571 402207085 /nfs/dbraw/zinc/20/70/85/402207085.db2.gz WBKCJKMBYYMRGW-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000105134571 402207087 /nfs/dbraw/zinc/20/70/87/402207087.db2.gz WBKCJKMBYYMRGW-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO COc1ccc([C@H](C)[NH2+]CCCCN2CCN(C)CC2)cc1 ZINC000154422631 402211859 /nfs/dbraw/zinc/21/18/59/402211859.db2.gz LQTIMAMTKFUQAH-INIZCTEOSA-N 1 3 305.466 2.373 20 0 DEADHO CC(C)(CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000236675470 402373177 /nfs/dbraw/zinc/37/31/77/402373177.db2.gz FQJJDNUQSHCCMD-WBVHZDCISA-N 1 3 315.461 2.067 20 0 DEADHO CCCC[C@H](N)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000236814209 402383746 /nfs/dbraw/zinc/38/37/46/402383746.db2.gz LOPQNQYKJMZVSW-MSOLQXFVSA-N 1 3 317.477 2.185 20 0 DEADHO CCCC[C@H](N)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000236814209 402383748 /nfs/dbraw/zinc/38/37/48/402383748.db2.gz LOPQNQYKJMZVSW-MSOLQXFVSA-N 1 3 317.477 2.185 20 0 DEADHO C[C@H](C(=O)N1CC[C@H]([NH+]2CCCC2)C1)[C@@H](N)c1ccccc1 ZINC000237421290 402407600 /nfs/dbraw/zinc/40/76/00/402407600.db2.gz JVKXSGQWMVHCCI-BHYGNILZSA-N 1 3 301.434 2.019 20 0 DEADHO C[C@@H](CNC(=O)C[C@H](N)c1ccccc1)C[NH+]1CCCCC1 ZINC000237554770 402412772 /nfs/dbraw/zinc/41/27/72/402412772.db2.gz LLZHRZNJJJWWST-RDJZCZTQSA-N 1 3 303.450 2.315 20 0 DEADHO CN(c1ccccc1CN1CCC(O)CC1)C1CC[NH+](C)CC1 ZINC000162258753 402414209 /nfs/dbraw/zinc/41/42/09/402414209.db2.gz YKRJGKLSRYIFKF-UHFFFAOYSA-N 1 3 317.477 2.174 20 0 DEADHO C[C@H](CC(=O)NCc1ccccc1CN(C)C)[C@@H]1CCC[NH2+]C1 ZINC000237667230 402417148 /nfs/dbraw/zinc/41/71/48/402417148.db2.gz UNYINGJTGHJVIK-HZPDHXFCSA-N 1 3 317.477 2.390 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)N(C)C ZINC000162832685 402433196 /nfs/dbraw/zinc/43/31/96/402433196.db2.gz TYVFAGQFJZFJKG-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO [NH3+]CC1(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CCCC1 ZINC000238053009 402435191 /nfs/dbraw/zinc/43/51/91/402435191.db2.gz LLWNZVQCYWCZKD-QGZVFWFLSA-N 1 3 315.461 2.459 20 0 DEADHO Cc1ccc(CN(C)C)cc1NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000237050885 402392861 /nfs/dbraw/zinc/39/28/61/402392861.db2.gz MQLXYAJQCYIVSX-AWEZNQCLSA-N 1 3 307.463 2.090 20 0 DEADHO Cc1cc(Cl)ccc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000163823164 402458416 /nfs/dbraw/zinc/45/84/16/402458416.db2.gz RECUFOCANCKQBS-UHFFFAOYSA-N 1 3 311.857 2.214 20 0 DEADHO [NH3+][C@@H]1CC[C@H](C(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000163888998 402459226 /nfs/dbraw/zinc/45/92/26/402459226.db2.gz LRTGXOGTWVVQQW-MAUKXSAKSA-N 1 3 315.461 2.416 20 0 DEADHO C[C@@H](CC(=O)N1CCN(C2CCCC2)CC1)C1CC[NH2+]CC1 ZINC000164450160 402463147 /nfs/dbraw/zinc/46/31/47/402463147.db2.gz MGHAIUVLEWDADE-HNNXBMFYSA-N 1 3 307.482 2.099 20 0 DEADHO CN(C(=O)C[C@@H]1CCC[NH2+]1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000165493994 402476462 /nfs/dbraw/zinc/47/64/62/402476462.db2.gz LYUMMLDWUQXJCW-ZWKOTPCHSA-N 1 3 315.461 2.252 20 0 DEADHO CN(CCC[N@H+](C)[C@H](CO)C(C)(C)C)[C@H](CO)C(C)(C)C ZINC000245728932 402483631 /nfs/dbraw/zinc/48/36/31/402483631.db2.gz BYJYQZXDOFZXGT-HUUCEWRRSA-N 1 3 302.503 2.054 20 0 DEADHO CN(CCC[N@@H+](C)[C@H](CO)C(C)(C)C)[C@H](CO)C(C)(C)C ZINC000245728932 402483633 /nfs/dbraw/zinc/48/36/33/402483633.db2.gz BYJYQZXDOFZXGT-HUUCEWRRSA-N 1 3 302.503 2.054 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)C2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000167539601 402491840 /nfs/dbraw/zinc/49/18/40/402491840.db2.gz RRGYTSDVQDKZDI-QAPCUYQASA-N 1 3 315.461 2.155 20 0 DEADHO CCN1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000245886765 402495011 /nfs/dbraw/zinc/49/50/11/402495011.db2.gz OWOXIVIXZFYJMA-RBSFLKMASA-N 1 3 311.470 2.364 20 0 DEADHO CC[N@@H+]1CC[C@H](CN[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000245886765 402495014 /nfs/dbraw/zinc/49/50/14/402495014.db2.gz OWOXIVIXZFYJMA-RBSFLKMASA-N 1 3 311.470 2.364 20 0 DEADHO CC[N@H+]1CC[C@H](CN[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000245886765 402495016 /nfs/dbraw/zinc/49/50/16/402495016.db2.gz OWOXIVIXZFYJMA-RBSFLKMASA-N 1 3 311.470 2.364 20 0 DEADHO CC(C)[NH2+]CCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000169118959 402499924 /nfs/dbraw/zinc/49/99/24/402499924.db2.gz SCKWVPNKKOBQAA-AEFFLSMTSA-N 1 3 317.477 2.401 20 0 DEADHO CCN(CC)CC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000187467169 402502384 /nfs/dbraw/zinc/50/23/84/402502384.db2.gz TWWAXHBZSVEQBF-GOSISDBHSA-N 1 3 317.477 2.355 20 0 DEADHO CCN(CC)CC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000187467169 402502385 /nfs/dbraw/zinc/50/23/85/402502385.db2.gz TWWAXHBZSVEQBF-GOSISDBHSA-N 1 3 317.477 2.355 20 0 DEADHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(Cl)nc1 ZINC000179136468 402575133 /nfs/dbraw/zinc/57/51/33/402575133.db2.gz WSLHIXJMHWJWRX-ZDUSSCGKSA-N 1 3 310.873 2.412 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000246197560 402518082 /nfs/dbraw/zinc/51/80/82/402518082.db2.gz DPJKFCHMLAUNSU-NJAFHUGGSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000246281592 402522683 /nfs/dbraw/zinc/52/26/83/402522683.db2.gz KBHQDHGLRCVZMC-LTIDMASMSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000246281592 402522686 /nfs/dbraw/zinc/52/26/86/402522686.db2.gz KBHQDHGLRCVZMC-LTIDMASMSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@@H]1CCCN(C(=O)C2CC[NH+](CC[C@@H]3CCCN3C)CC2)C1 ZINC000179404743 402588649 /nfs/dbraw/zinc/58/86/49/402588649.db2.gz QCRAAPBYQPBVFS-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO COC[C@@H](C)C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000249782813 402641961 /nfs/dbraw/zinc/64/19/61/402641961.db2.gz LPQNRFVYUARPKN-YESZJQIVSA-N 1 3 312.498 2.480 20 0 DEADHO CCO[C@H]1C[C@@H]([NH2+]C2CCN(CCN(C)C)CC2)C12CCCC2 ZINC000181467977 402646700 /nfs/dbraw/zinc/64/67/00/402646700.db2.gz LEMGWHPPZZJZEW-MSOLQXFVSA-N 1 3 323.525 2.340 20 0 DEADHO Cc1cc(NC(=O)[C@@H](C)[C@@H](C)[NH3+])ccc1OCCN1CCCC1 ZINC000192117558 402712222 /nfs/dbraw/zinc/71/22/22/402712222.db2.gz GDWTZUYQIMLBLE-LSDHHAIUSA-N 1 3 319.449 2.391 20 0 DEADHO CN(CCCO)C1CC[NH+](CCCOCc2ccccc2)CC1 ZINC000182390039 402686059 /nfs/dbraw/zinc/68/60/59/402686059.db2.gz RAOISNRSZGZMTA-UHFFFAOYSA-N 1 3 320.477 2.372 20 0 DEADHO CCN1CC[C@H]([NH2+]Cc2ccccc2N2CCOCC2)[C@H](C)C1 ZINC000173362592 402694412 /nfs/dbraw/zinc/69/44/12/402694412.db2.gz CVYOURCRENKHCW-AEFFLSMTSA-N 1 3 317.477 2.343 20 0 DEADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C[C@H](N)c1ccccc1 ZINC000262959775 402738662 /nfs/dbraw/zinc/73/86/62/402738662.db2.gz WLWCKKHXAIQCIS-IRXDYDNUSA-N 1 3 303.450 2.409 20 0 DEADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C[C@H](N)c1ccccc1 ZINC000262959775 402738663 /nfs/dbraw/zinc/73/86/63/402738663.db2.gz WLWCKKHXAIQCIS-IRXDYDNUSA-N 1 3 303.450 2.409 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174568904 402747444 /nfs/dbraw/zinc/74/74/44/402747444.db2.gz OYHGIKZJDZJRLS-IAGOWNOFSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[C@@H](N)C(=O)N(CC[NH+](CC)CC)Cc1ccccc1 ZINC000263242720 402749470 /nfs/dbraw/zinc/74/94/70/402749470.db2.gz GTNIGBZPMWYNRF-QGZVFWFLSA-N 1 3 305.466 2.484 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+]CC2=Cc3ccccc3OC2)CC1 ZINC000338714137 404492916 /nfs/dbraw/zinc/49/29/16/404492916.db2.gz RDIHAXWKNVZPHG-MRXNPFEDSA-N 1 3 315.461 2.078 20 0 DEADHO C[C@H](C(=O)N(C)C)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000264068198 402836473 /nfs/dbraw/zinc/83/64/73/402836473.db2.gz XDSPSMYEWOVAEX-MRXNPFEDSA-N 1 3 317.477 2.307 20 0 DEADHO C[C@H](C(=O)N(C)C)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000264068198 402836475 /nfs/dbraw/zinc/83/64/75/402836475.db2.gz XDSPSMYEWOVAEX-MRXNPFEDSA-N 1 3 317.477 2.307 20 0 DEADHO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000264393998 402874257 /nfs/dbraw/zinc/87/42/57/402874257.db2.gz CTFVBDHZAWEWOV-GOSISDBHSA-N 1 3 315.461 2.449 20 0 DEADHO CCC[C@H](N)C(=O)NCc1ccc(OCC[NH+](CC)CC)cc1 ZINC000272467132 402940711 /nfs/dbraw/zinc/94/07/11/402940711.db2.gz PNHCHWXFJYHLAV-KRWDZBQOSA-N 1 3 321.465 2.151 20 0 DEADHO CN(C)C/C=C/C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000265697531 402940883 /nfs/dbraw/zinc/94/08/83/402940883.db2.gz PISNGDMERXTPBO-UXBLZVDNSA-N 1 3 305.422 2.073 20 0 DEADHO Cc1ccc(NC(=O)NC[C@@H](C)[NH+](C)C)c(OCCN(C)C)c1 ZINC000265700682 402941470 /nfs/dbraw/zinc/94/14/70/402941470.db2.gz IIWTXYUEGMPSFE-CQSZACIVSA-N 1 3 322.453 2.007 20 0 DEADHO Cc1nn2c(CNCC3(C)CC[NH+](C)CC3)c(C)nc2s1 ZINC000272552914 402952180 /nfs/dbraw/zinc/95/21/80/402952180.db2.gz MMLYALMTWRHESJ-UHFFFAOYSA-N 1 3 307.467 2.229 20 0 DEADHO CN(C)C[C@H]1CC[N@H+](CCc2nc(-c3ccccc3)no2)C1 ZINC000265819972 402953206 /nfs/dbraw/zinc/95/32/06/402953206.db2.gz HUHJUHOKXAXHSZ-CQSZACIVSA-N 1 3 300.406 2.163 20 0 DEADHO CN(C)C[C@H]1CC[N@@H+](CCc2nc(-c3ccccc3)no2)C1 ZINC000265819972 402953208 /nfs/dbraw/zinc/95/32/08/402953208.db2.gz HUHJUHOKXAXHSZ-CQSZACIVSA-N 1 3 300.406 2.163 20 0 DEADHO C[C@@H](NC(=O)/C=C/CN(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272237573 402913237 /nfs/dbraw/zinc/91/32/37/402913237.db2.gz FUJYTKHSOWKJIA-XMIMXHRVSA-N 1 3 315.461 2.131 20 0 DEADHO C[C@@H](NC(=O)/C=C/CN(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272237573 402913240 /nfs/dbraw/zinc/91/32/40/402913240.db2.gz FUJYTKHSOWKJIA-XMIMXHRVSA-N 1 3 315.461 2.131 20 0 DEADHO C[C@@H]1CCC[C@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000279194091 402914459 /nfs/dbraw/zinc/91/44/59/402914459.db2.gz FHUBKVZTPQHFJM-OIISXLGYSA-N 1 3 303.450 2.184 20 0 DEADHO C[C@H](CC(=O)N(C)C)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272391283 402931589 /nfs/dbraw/zinc/93/15/89/402931589.db2.gz XZJVCDKOROFOTP-JFIYKMOQSA-N 1 3 317.477 2.353 20 0 DEADHO C[C@H](CC(=O)N(C)C)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272391283 402931590 /nfs/dbraw/zinc/93/15/90/402931590.db2.gz XZJVCDKOROFOTP-JFIYKMOQSA-N 1 3 317.477 2.353 20 0 DEADHO C[C@H](O)CC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000268315531 403072860 /nfs/dbraw/zinc/07/28/60/403072860.db2.gz DCEPOSCBZZPBNO-HNNXBMFYSA-N 1 3 305.466 2.078 20 0 DEADHO COc1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)c(OC)c1 ZINC000268419797 403081635 /nfs/dbraw/zinc/08/16/35/403081635.db2.gz LFXVIFVQAOYJPG-UHFFFAOYSA-N 1 3 322.449 2.029 20 0 DEADHO [NH3+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000281934853 403105870 /nfs/dbraw/zinc/10/58/70/403105870.db2.gz KRLLEZICBQGERU-ZWKOTPCHSA-N 1 3 315.461 2.238 20 0 DEADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCNC(=O)C1CC1 ZINC000268733320 403110764 /nfs/dbraw/zinc/11/07/64/403110764.db2.gz PDNRLTRXPZZJTP-YJBOKZPZSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCNC(=O)C1CC1 ZINC000268733320 403110765 /nfs/dbraw/zinc/11/07/65/403110765.db2.gz PDNRLTRXPZZJTP-YJBOKZPZSA-N 1 3 315.461 2.013 20 0 DEADHO CCN1CC[C@H]([NH2+]CC2(N(C)C)Cc3ccccc3C2)[C@H](C)C1 ZINC000268886957 403120718 /nfs/dbraw/zinc/12/07/18/403120718.db2.gz LOMXQBSDRBOVKW-APWZRJJASA-N 1 3 315.505 2.406 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@@]2(C)CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000269267292 403126453 /nfs/dbraw/zinc/12/64/53/403126453.db2.gz QDKHOPMQKLWQJU-AYBZRNKSSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C[NH2+]CC1CC1 ZINC000269278000 403127530 /nfs/dbraw/zinc/12/75/30/403127530.db2.gz YPYZRGNLPCOLBS-YJBOKZPZSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1cccc(O)c1 ZINC000282263059 403137625 /nfs/dbraw/zinc/13/76/25/403137625.db2.gz KBFATPJAHYLDFS-MORSLUCNSA-N 1 3 304.434 2.421 20 0 DEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCC2(C)C)cc1 ZINC000284358191 403266110 /nfs/dbraw/zinc/26/61/10/403266110.db2.gz NRFNVPSXTLRNOI-MRXNPFEDSA-N 1 3 303.450 2.256 20 0 DEADHO CNC(=O)c1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000285388533 403285205 /nfs/dbraw/zinc/28/52/05/403285205.db2.gz DHXPCNIMZRRYOI-SJPCQFCGSA-N 1 3 301.434 2.103 20 0 DEADHO CNC(=O)c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000285388533 403285209 /nfs/dbraw/zinc/28/52/09/403285209.db2.gz DHXPCNIMZRRYOI-SJPCQFCGSA-N 1 3 301.434 2.103 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCCN1C ZINC000345327090 403287104 /nfs/dbraw/zinc/28/71/04/403287104.db2.gz STNWTRJOMJYHQO-VYDXJSESSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCCN1C ZINC000345327090 403287107 /nfs/dbraw/zinc/28/71/07/403287107.db2.gz STNWTRJOMJYHQO-VYDXJSESSA-N 1 3 307.482 2.240 20 0 DEADHO CCN1CCC(NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000345328768 403288910 /nfs/dbraw/zinc/28/89/10/403288910.db2.gz XAQOENMHVTWJBR-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO CC[N@@H+]1C[C@H](C)[C@H](N[C@H](CN(C)C)c2ccc(OC)cc2)C1 ZINC000342800101 403354324 /nfs/dbraw/zinc/35/43/24/403354324.db2.gz QPOZUXACRBLNNW-BMGDILEWSA-N 1 3 305.466 2.228 20 0 DEADHO CC[N@H+]1C[C@H](C)[C@H](N[C@H](CN(C)C)c2ccc(OC)cc2)C1 ZINC000342800101 403354330 /nfs/dbraw/zinc/35/43/30/403354330.db2.gz QPOZUXACRBLNNW-BMGDILEWSA-N 1 3 305.466 2.228 20 0 DEADHO CN(C)c1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cn1 ZINC000298324586 403358747 /nfs/dbraw/zinc/35/87/47/403358747.db2.gz IOAJVQFEOBSYEQ-UHFFFAOYSA-N 1 3 311.433 2.301 20 0 DEADHO COCC[N@H+](C)CCCN[C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000292838079 403379757 /nfs/dbraw/zinc/37/97/57/403379757.db2.gz CAQBXJSZOUCYBQ-OAHLLOKOSA-N 1 3 321.465 2.007 20 0 DEADHO COCC[N@@H+](C)CCCN[C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000292838079 403379760 /nfs/dbraw/zinc/37/97/60/403379760.db2.gz CAQBXJSZOUCYBQ-OAHLLOKOSA-N 1 3 321.465 2.007 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000339461809 403382384 /nfs/dbraw/zinc/38/23/84/403382384.db2.gz MDIIVUYDWBCEPK-SJORKVTESA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCCCC1 ZINC000342944496 403405561 /nfs/dbraw/zinc/40/55/61/403405561.db2.gz PVWZFGJJBFQPOB-NVXWUHKLSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)N1CCCCC1 ZINC000342944496 403405565 /nfs/dbraw/zinc/40/55/65/403405565.db2.gz PVWZFGJJBFQPOB-NVXWUHKLSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CCCN1C ZINC000345746645 403466870 /nfs/dbraw/zinc/46/68/70/403466870.db2.gz LPUBUZWZRNTFKT-ZACQAIPSSA-N 1 3 322.497 2.129 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@H]([NH3+])CC(F)F)c1ccsc1 ZINC000345767981 403476180 /nfs/dbraw/zinc/47/61/80/403476180.db2.gz WLOGRLFHQMXFCO-NEPJUHHUSA-N 1 3 319.421 2.230 20 0 DEADHO CC[NH+]1CCC(NCc2cccc(N3CCOCC3)c2)CC1 ZINC000293633077 403524908 /nfs/dbraw/zinc/52/49/08/403524908.db2.gz GPUZRHUMEBQAEY-UHFFFAOYSA-N 1 3 303.450 2.097 20 0 DEADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1ccc(N2CCOC2=O)cc1 ZINC000293718658 403547657 /nfs/dbraw/zinc/54/76/57/403547657.db2.gz PKZMZRSALWLRQS-UONOGXRCSA-N 1 3 305.422 2.492 20 0 DEADHO CN(C)Cc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000345876925 403518027 /nfs/dbraw/zinc/51/80/27/403518027.db2.gz BIGVPZPSZFROTA-DLBZAZTESA-N 1 3 301.434 2.105 20 0 DEADHO CN(C)Cc1ccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000345876925 403518030 /nfs/dbraw/zinc/51/80/30/403518030.db2.gz BIGVPZPSZFROTA-DLBZAZTESA-N 1 3 301.434 2.105 20 0 DEADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(F)cc1 ZINC000346105742 403574111 /nfs/dbraw/zinc/57/41/11/403574111.db2.gz SJQCTQDYCMMVEX-DZGCQCFKSA-N 1 3 307.413 2.064 20 0 DEADHO CCn1nc(C)c(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1C ZINC000333185124 403688041 /nfs/dbraw/zinc/68/80/41/403688041.db2.gz SSLTZPHAGMDQSI-ZWKOTPCHSA-N 1 3 320.481 2.238 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000340938686 403705366 /nfs/dbraw/zinc/70/53/66/403705366.db2.gz NUIIVORRUKNLQS-YVSFHVDLSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000340938686 403705370 /nfs/dbraw/zinc/70/53/70/403705370.db2.gz NUIIVORRUKNLQS-YVSFHVDLSA-N 1 3 324.513 2.136 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(CN(C)C)cc1 ZINC000343582157 403649995 /nfs/dbraw/zinc/64/99/95/403649995.db2.gz XUZLBSQZHPVWNL-KRWDZBQOSA-N 1 3 303.450 2.352 20 0 DEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(CN(C)C)cc1 ZINC000343582157 403650000 /nfs/dbraw/zinc/65/00/00/403650000.db2.gz XUZLBSQZHPVWNL-KRWDZBQOSA-N 1 3 303.450 2.352 20 0 DEADHO CC[NH+](CC)CC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000294375346 403717618 /nfs/dbraw/zinc/71/76/18/403717618.db2.gz LFVPZQUSYYYCAA-MRXNPFEDSA-N 1 3 323.506 2.469 20 0 DEADHO C[C@@H]1[C@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CCCN1C ZINC000343752977 403719806 /nfs/dbraw/zinc/71/98/06/403719806.db2.gz HQVFYGUTJHIBJW-RBSFLKMASA-N 1 3 312.502 2.135 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CC1CCN(C)CC1 ZINC000347534336 403744429 /nfs/dbraw/zinc/74/44/29/403744429.db2.gz XONLRBZJOCDDQO-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)CC1CCN(C)CC1 ZINC000347534336 403744434 /nfs/dbraw/zinc/74/44/34/403744434.db2.gz XONLRBZJOCDDQO-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H](C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)[C@@H](N)c1ccccc1 ZINC000295088680 403756168 /nfs/dbraw/zinc/75/61/68/403756168.db2.gz SWOPJYKNTZUPES-QBYUYEEZSA-N 1 3 303.450 2.204 20 0 DEADHO Cc1cccc2c(C(=O)N(CCN(C)C)CC[NH+](C)C)coc21 ZINC000567104519 292289078 /nfs/dbraw/zinc/28/90/78/292289078.db2.gz RIHYBQUXWQNGNK-UHFFFAOYSA-N 1 3 317.433 2.307 20 0 DEADHO CSC1(C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)CC1 ZINC000289038074 403815219 /nfs/dbraw/zinc/81/52/19/403815219.db2.gz ALFGXTYFQKDOCR-UHFFFAOYSA-N 1 3 319.518 2.419 20 0 DEADHO CC(C)[N@H+](C)CCCNC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000289287895 403896484 /nfs/dbraw/zinc/89/64/84/403896484.db2.gz PJEVQPOORYRQFP-HZPDHXFCSA-N 1 3 318.417 2.137 20 0 DEADHO CC(C)[N@@H+](C)CCCNC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000289287895 403896485 /nfs/dbraw/zinc/89/64/85/403896485.db2.gz PJEVQPOORYRQFP-HZPDHXFCSA-N 1 3 318.417 2.137 20 0 DEADHO CC(C)N1CCCN(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000341216246 403839553 /nfs/dbraw/zinc/83/95/53/403839553.db2.gz USVXIBDJSBQFEN-SJORKVTESA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)N1CCCN(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000341216246 403839560 /nfs/dbraw/zinc/83/95/60/403839560.db2.gz USVXIBDJSBQFEN-SJORKVTESA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)CCCN(C)Cc1ccco1)[NH+](C)C ZINC000344035717 403864409 /nfs/dbraw/zinc/86/44/09/403864409.db2.gz SVJBZRAJJKMTJT-INIZCTEOSA-N 1 3 309.454 2.146 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000295338796 403866014 /nfs/dbraw/zinc/86/60/14/403866014.db2.gz ZZHXCFNMPDQEQH-ZACQAIPSSA-N 1 3 303.450 2.314 20 0 DEADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@]3(O)CCSC3)CC2)C1 ZINC000305188148 403868893 /nfs/dbraw/zinc/86/88/93/403868893.db2.gz XQAKLJJSWHAGMQ-HYVNUMGLSA-N 1 3 312.523 2.487 20 0 DEADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@]3(O)CCSC3)CC2)C1 ZINC000305188148 403868894 /nfs/dbraw/zinc/86/88/94/403868894.db2.gz XQAKLJJSWHAGMQ-HYVNUMGLSA-N 1 3 312.523 2.487 20 0 DEADHO CSc1ccccc1NC(=O)CCN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351853156 403961388 /nfs/dbraw/zinc/96/13/88/403961388.db2.gz NXHQBSPOUNEHRY-CHWSQXEVSA-N 1 3 307.463 2.406 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCN(CCC(=O)NCc2ccccc2Cl)C1 ZINC000351854344 403964063 /nfs/dbraw/zinc/96/40/63/403964063.db2.gz QMGNONDKJOVICI-GXTWGEPZSA-N 1 3 309.841 2.015 20 0 DEADHO CCO[C@@H]1C[C@H]([NH2+]CC2(O)CCN(C)CC2)C12CCCCC2 ZINC000344095127 403906378 /nfs/dbraw/zinc/90/63/78/403906378.db2.gz HGZSJWNNSHKBRW-JKSUJKDBSA-N 1 3 310.482 2.161 20 0 DEADHO CCCNC(=O)CC[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000347879552 403926420 /nfs/dbraw/zinc/92/64/20/403926420.db2.gz OPLHYKXHMQZUDK-WMZOPIPTSA-N 1 3 317.477 2.403 20 0 DEADHO CCCNC(=O)CCN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347879552 403926425 /nfs/dbraw/zinc/92/64/25/403926425.db2.gz OPLHYKXHMQZUDK-WMZOPIPTSA-N 1 3 317.477 2.403 20 0 DEADHO CCCNC(=O)CCN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347879552 403926429 /nfs/dbraw/zinc/92/64/29/403926429.db2.gz OPLHYKXHMQZUDK-WMZOPIPTSA-N 1 3 317.477 2.403 20 0 DEADHO CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1ccnc(OCCN(C)C)c1 ZINC000354651813 403928481 /nfs/dbraw/zinc/92/84/81/403928481.db2.gz QUVFBBCEUISUNG-DLBZAZTESA-N 1 3 321.465 2.317 20 0 DEADHO C[C@@H]([NH3+])[C@H]1CCN(Cc2ccc(OCc3nccn3C)cc2)C1 ZINC000351858510 403966746 /nfs/dbraw/zinc/96/67/46/403966746.db2.gz DOBKILSZXJHWHD-ZBFHGGJFSA-N 1 3 314.433 2.168 20 0 DEADHO NCc1cc(NC(=O)C[C@H]2CC[NH2+]C2)cc(C(F)(F)F)c1 ZINC000362587816 403969969 /nfs/dbraw/zinc/96/99/69/403969969.db2.gz JQSLSMYCBUCKAP-SECBINFHSA-N 1 3 301.312 2.102 20 0 DEADHO CC[C@H]1CC[C@@H]1[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000348073045 404033009 /nfs/dbraw/zinc/03/30/09/404033009.db2.gz ZENKALPIBJQXPM-WMZOPIPTSA-N 1 3 302.466 2.372 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000341456260 403977856 /nfs/dbraw/zinc/97/78/56/403977856.db2.gz FSBNQUCUYUNGGU-DLBZAZTESA-N 1 3 322.497 2.131 20 0 DEADHO CO[C@@H]1COC[C@@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411814213 403978494 /nfs/dbraw/zinc/97/84/94/403978494.db2.gz BDZIRDVIURHWLA-ZWKOTPCHSA-N 1 3 304.434 2.176 20 0 DEADHO CCC[N@H+](CC)CCNC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000351878343 403979720 /nfs/dbraw/zinc/97/97/20/403979720.db2.gz IKLZBXDLHOIOGC-INIZCTEOSA-N 1 3 312.502 2.138 20 0 DEADHO CCC[N@@H+](CC)CCNC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000351878343 403979727 /nfs/dbraw/zinc/97/97/27/403979727.db2.gz IKLZBXDLHOIOGC-INIZCTEOSA-N 1 3 312.502 2.138 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)C2(N)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000296074393 404080716 /nfs/dbraw/zinc/08/07/16/404080716.db2.gz QAQHFFGEGICYFU-HOCLYGCPSA-N 1 3 301.434 2.037 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)C2(N)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000296074393 404080723 /nfs/dbraw/zinc/08/07/23/404080723.db2.gz QAQHFFGEGICYFU-HOCLYGCPSA-N 1 3 301.434 2.037 20 0 DEADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CCC[C@H]2CCCC[C@H]21 ZINC000323928332 404096061 /nfs/dbraw/zinc/09/60/61/404096061.db2.gz XDOOUQUQAPRFSP-ZJPYXAASSA-N 1 3 319.493 2.099 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000290116511 404048879 /nfs/dbraw/zinc/04/88/79/404048879.db2.gz YXZZYTPGJARQCB-IXDOHACOSA-N 1 3 303.450 2.102 20 0 DEADHO CCC[C@H]([NH2+]C(C)C)C(=O)NCCN(C)Cc1ccccc1 ZINC000352151502 404178837 /nfs/dbraw/zinc/17/88/37/404178837.db2.gz YZKWYPLPEXNVIA-KRWDZBQOSA-N 1 3 305.466 2.401 20 0 DEADHO C[C@H](CN(C)C)NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000349850384 404225605 /nfs/dbraw/zinc/22/56/05/404225605.db2.gz VGQMMRGKNSSMLY-OAHLLOKOSA-N 1 3 318.465 2.032 20 0 DEADHO Cc1ncc([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)c(C)n1 ZINC000329191221 404258310 /nfs/dbraw/zinc/25/83/10/404258310.db2.gz SFADDGMAGGDEOK-DOPJRALCSA-N 1 3 318.465 2.122 20 0 DEADHO CCN1C[C@H]([NH2+]C[C@H]2CCN(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000355209265 404285712 /nfs/dbraw/zinc/28/57/12/404285712.db2.gz AIDTUYREWLOMSI-UHOSZYNNSA-N 1 3 301.478 2.438 20 0 DEADHO C[C@@H]1CCN(C)CCN1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000355514792 404347025 /nfs/dbraw/zinc/34/70/25/404347025.db2.gz VOVNOAHVWPQDNX-CYBMUJFWSA-N 1 3 310.486 2.031 20 0 DEADHO CN(C)C[C@H]1CC[N@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000338300695 404360079 /nfs/dbraw/zinc/36/00/79/404360079.db2.gz FLVQTOZVQZOYAY-IAGOWNOFSA-N 1 3 315.461 2.032 20 0 DEADHO CN(C)C[C@H]1CC[N@@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000338300695 404360085 /nfs/dbraw/zinc/36/00/85/404360085.db2.gz FLVQTOZVQZOYAY-IAGOWNOFSA-N 1 3 315.461 2.032 20 0 DEADHO C[NH+](C)C[C@H]1CCN(C[C@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000338300695 404360090 /nfs/dbraw/zinc/36/00/90/404360090.db2.gz FLVQTOZVQZOYAY-IAGOWNOFSA-N 1 3 315.461 2.032 20 0 DEADHO CC[NH+](CC)CCOCCNCc1cnc2ccc(C)cn12 ZINC000350351539 404372979 /nfs/dbraw/zinc/37/29/79/404372979.db2.gz ISOCYOMOQOBOPJ-UHFFFAOYSA-N 1 3 304.438 2.091 20 0 DEADHO CC(C)N1CCN(CCC[NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000370317115 404386937 /nfs/dbraw/zinc/38/69/37/404386937.db2.gz UIHYBMLDSKUNIH-SFHVURJKSA-N 1 3 323.525 2.341 20 0 DEADHO CN1CCC(O)(C[NH2+][C@H]2CCC(=O)Nc3ccccc32)CC1 ZINC000329633438 404403001 /nfs/dbraw/zinc/40/30/01/404403001.db2.gz XEDKNTQCFBCBRA-AWEZNQCLSA-N 1 3 303.406 2.156 20 0 DEADHO COc1cc2[nH+]ccc(N3CCN(C)C[C@@H]3C)c2cc1OC ZINC000413134113 404416390 /nfs/dbraw/zinc/41/63/90/404416390.db2.gz KVEGVNCVPPVBHI-LBPRGKRZSA-N 1 3 301.390 2.392 20 0 DEADHO COc1ccc(C[C@H](C)NC2CC[NH+](CC3CC3)CC2)cn1 ZINC000414078852 404506556 /nfs/dbraw/zinc/50/65/56/404506556.db2.gz SGTWJTIBCYNNAY-AWEZNQCLSA-N 1 3 303.450 2.485 20 0 DEADHO O=C(NCC1CC[NH2+]CC1)C1CCN(Cc2ccccc2)CC1 ZINC000297241614 404514683 /nfs/dbraw/zinc/51/46/83/404514683.db2.gz PVAFRJSPVVXJTE-UHFFFAOYSA-N 1 3 315.461 2.014 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C[C@H](C)O1 ZINC000567453338 292314274 /nfs/dbraw/zinc/31/42/74/292314274.db2.gz MATNQAGSICPSGC-LVFSCSRESA-N 1 3 318.461 2.299 20 0 DEADHO Cn1nnc2cc(CN(CCC[NH3+])CC3CCCC3)ccc21 ZINC000352540032 404444007 /nfs/dbraw/zinc/44/40/07/404444007.db2.gz GKZUIPRHUPTPPR-UHFFFAOYSA-N 1 3 301.438 2.309 20 0 DEADHO Cn1nnc2cc(C[N@H+](CCCN)CC3CCCC3)ccc21 ZINC000352540032 404444011 /nfs/dbraw/zinc/44/40/11/404444011.db2.gz GKZUIPRHUPTPPR-UHFFFAOYSA-N 1 3 301.438 2.309 20 0 DEADHO Cn1nnc2cc(C[N@@H+](CCCN)CC3CCCC3)ccc21 ZINC000352540032 404444018 /nfs/dbraw/zinc/44/40/18/404444018.db2.gz GKZUIPRHUPTPPR-UHFFFAOYSA-N 1 3 301.438 2.309 20 0 DEADHO CCOC(=O)COc1ccc(CN2CCCC[C@@H]2CC[NH3+])cc1 ZINC000352546732 404447683 /nfs/dbraw/zinc/44/76/83/404447683.db2.gz ZMYDKGFSDWEXCW-MRXNPFEDSA-N 1 3 320.433 2.332 20 0 DEADHO CC[C@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cn1 ZINC000352749962 404592900 /nfs/dbraw/zinc/59/29/00/404592900.db2.gz VBYBQUYHIVRRJS-CVEARBPZSA-N 1 3 309.429 2.498 20 0 DEADHO CC[C@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cn1 ZINC000352749962 404592905 /nfs/dbraw/zinc/59/29/05/404592905.db2.gz VBYBQUYHIVRRJS-CVEARBPZSA-N 1 3 309.429 2.498 20 0 DEADHO CC[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)C1CCCC1 ZINC000414204297 404547108 /nfs/dbraw/zinc/54/71/08/404547108.db2.gz WDKZTFDXHJAIOW-GOSISDBHSA-N 1 3 323.525 2.341 20 0 DEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCN(C)C2CC2)C1 ZINC000352729888 404579681 /nfs/dbraw/zinc/57/96/81/404579681.db2.gz DCNXJETWRZVWEM-OAHLLOKOSA-N 1 3 324.513 2.280 20 0 DEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCN(C)C2CC2)C1 ZINC000352729888 404579688 /nfs/dbraw/zinc/57/96/88/404579688.db2.gz DCNXJETWRZVWEM-OAHLLOKOSA-N 1 3 324.513 2.280 20 0 DEADHO CCOc1cc(CNC[C@H](CC[NH+](C)C)OCC)ccc1O ZINC000297657069 404580284 /nfs/dbraw/zinc/58/02/84/404580284.db2.gz NQPRZINLWFIDLC-HNNXBMFYSA-N 1 3 310.438 2.237 20 0 DEADHO CN(C)[C@H]1CCC[N@H+](CCC(=O)NCC2CCCCC2)CC1 ZINC000365400835 404648695 /nfs/dbraw/zinc/64/86/95/404648695.db2.gz BPAWKAYCCKYILL-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CN(C)[C@H]1CCC[N@@H+](CCC(=O)NCC2CCCCC2)CC1 ZINC000365400835 404648699 /nfs/dbraw/zinc/64/86/99/404648699.db2.gz BPAWKAYCCKYILL-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CN(C)[C@@H]1CCC[N@H+](C[C@@H](O)COCc2cccs2)CC1 ZINC000365406140 404650396 /nfs/dbraw/zinc/65/03/96/404650396.db2.gz VVGMOLMXPVXYAK-HUUCEWRRSA-N 1 3 312.479 2.042 20 0 DEADHO CN(C)[C@@H]1CCC[N@@H+](C[C@@H](O)COCc2cccs2)CC1 ZINC000365406140 404650401 /nfs/dbraw/zinc/65/04/01/404650401.db2.gz VVGMOLMXPVXYAK-HUUCEWRRSA-N 1 3 312.479 2.042 20 0 DEADHO COCc1cc(CNCC2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000297762072 404615320 /nfs/dbraw/zinc/61/53/20/404615320.db2.gz VABRMHYOWNYADL-UHFFFAOYSA-N 1 3 316.405 2.222 20 0 DEADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C1CCNCC1 ZINC000414786184 404734949 /nfs/dbraw/zinc/73/49/49/404734949.db2.gz JLVJVRWLYYLRIB-UHFFFAOYSA-N 1 3 318.373 2.070 20 0 DEADHO COC[C@H](CC(C)C)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000358281163 404758744 /nfs/dbraw/zinc/75/87/44/404758744.db2.gz AKRSCOXQMZOZDJ-OKZBNKHCSA-N 1 3 312.498 2.405 20 0 DEADHO CC1CCC([N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C2CC2)CC1 ZINC000414709746 404713878 /nfs/dbraw/zinc/71/38/78/404713878.db2.gz RRTOMFKCVKDUIX-HWOWSKLDSA-N 1 3 307.482 2.227 20 0 DEADHO CC1CCC([N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C2CC2)CC1 ZINC000414709746 404713880 /nfs/dbraw/zinc/71/38/80/404713880.db2.gz RRTOMFKCVKDUIX-HWOWSKLDSA-N 1 3 307.482 2.227 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@H+](CC2CCCCC2)C2CC2)C1 ZINC000414715106 404715900 /nfs/dbraw/zinc/71/59/00/404715900.db2.gz XNUATCCEIAKTOC-INIZCTEOSA-N 1 3 307.482 2.228 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@@H+](CC2CCCCC2)C2CC2)C1 ZINC000414715106 404715901 /nfs/dbraw/zinc/71/59/01/404715901.db2.gz XNUATCCEIAKTOC-INIZCTEOSA-N 1 3 307.482 2.228 20 0 DEADHO CC[C@H](Cc1ccccc1)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414718250 404716370 /nfs/dbraw/zinc/71/63/70/404716370.db2.gz ZAURLILJORMRRY-ZWKOTPCHSA-N 1 3 317.477 2.137 20 0 DEADHO CC[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414718250 404716371 /nfs/dbraw/zinc/71/63/71/404716371.db2.gz ZAURLILJORMRRY-ZWKOTPCHSA-N 1 3 317.477 2.137 20 0 DEADHO CN(CCN(C)C1CC1)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000353023056 404723148 /nfs/dbraw/zinc/72/31/48/404723148.db2.gz ANKUVWKULZFNAF-UHFFFAOYSA-N 1 3 324.513 2.377 20 0 DEADHO CCC[N@H+](CCCN)C1CCN(C(=O)c2ccccc2)CC1 ZINC000414755159 404724881 /nfs/dbraw/zinc/72/48/81/404724881.db2.gz YZAUHJIRNCKFMW-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO CCC[N@@H+](CCCN)C1CCN(C(=O)c2ccccc2)CC1 ZINC000414755159 404724883 /nfs/dbraw/zinc/72/48/83/404724883.db2.gz YZAUHJIRNCKFMW-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO C[C@@H](CS(=O)(=O)c1ccccc1)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415018434 404788766 /nfs/dbraw/zinc/78/87/66/404788766.db2.gz BWFJNSQMGOEQID-JYJNAYRXSA-N 1 3 324.490 2.204 20 0 DEADHO C[N@@H+](CC(c1ccc(F)cc1)c1ccc(F)cc1)C[C@H](O)CN ZINC000415069984 404800396 /nfs/dbraw/zinc/80/03/96/404800396.db2.gz PXRBMSRLRSZITK-QGZVFWFLSA-N 1 3 320.383 2.348 20 0 DEADHO C[N@H+](CC(c1ccc(F)cc1)c1ccc(F)cc1)C[C@H](O)CN ZINC000415069984 404800398 /nfs/dbraw/zinc/80/03/98/404800398.db2.gz PXRBMSRLRSZITK-QGZVFWFLSA-N 1 3 320.383 2.348 20 0 DEADHO [NH3+]CCCN1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000415104789 404808693 /nfs/dbraw/zinc/80/86/93/404808693.db2.gz LQVZQPGFHDSNQQ-CRAIPNDOSA-N 1 3 312.417 2.439 20 0 DEADHO CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000353467804 404838351 /nfs/dbraw/zinc/83/83/51/404838351.db2.gz AHVMBFAOGUKNFU-XIRDDKMYSA-N 1 3 303.450 2.312 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000415564631 404885379 /nfs/dbraw/zinc/88/53/79/404885379.db2.gz HXFICHLSOHLXKH-DOTOQJQBSA-N 1 3 318.465 2.430 20 0 DEADHO C[C@H]1CCCN(C(=O)Nc2ccccc2CCN(C)C)[C@@H]1C[NH3+] ZINC000415567509 404885790 /nfs/dbraw/zinc/88/57/90/404885790.db2.gz JWMSDNKCHJSYMN-WMLDXEAASA-N 1 3 318.465 2.382 20 0 DEADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000423849648 404890353 /nfs/dbraw/zinc/89/03/53/404890353.db2.gz SBHOOJAXOVEXHX-KVSKMBFKSA-N 1 3 315.461 2.013 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccccn2)CCC1 ZINC000367003385 404894406 /nfs/dbraw/zinc/89/44/06/404894406.db2.gz NTFWXOBGHWREGF-OAHLLOKOSA-N 1 3 315.465 2.102 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000353476009 404840687 /nfs/dbraw/zinc/84/06/87/404840687.db2.gz YSHIEZYERUBDRU-SZVBFZGTSA-N 1 3 315.461 2.328 20 0 DEADHO CC(C)[C@H](N)C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000353752434 404957134 /nfs/dbraw/zinc/95/71/34/404957134.db2.gz GNJPIFWNAVHCFP-SZMVWBNQSA-N 1 3 317.477 2.387 20 0 DEADHO CC(C)[C@H](N)C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000353752434 404957140 /nfs/dbraw/zinc/95/71/40/404957140.db2.gz GNJPIFWNAVHCFP-SZMVWBNQSA-N 1 3 317.477 2.387 20 0 DEADHO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000415882312 404961196 /nfs/dbraw/zinc/96/11/96/404961196.db2.gz KNJIVNCCQXBPTO-KRWDZBQOSA-N 1 3 316.449 2.280 20 0 DEADHO CNCc1ccccc1NC(=O)NCCC1CC[NH+](C)CC1 ZINC000415902320 404966859 /nfs/dbraw/zinc/96/68/59/404966859.db2.gz OJMJTWFKZPKHIJ-UHFFFAOYSA-N 1 3 304.438 2.259 20 0 DEADHO CC[C@H](CNC(=O)CC[C@H](C)[NH3+])N1CCc2ccccc2C1 ZINC000434671162 404922088 /nfs/dbraw/zinc/92/20/88/404922088.db2.gz GLFWGTQAWJJULM-WMLDXEAASA-N 1 3 303.450 2.067 20 0 DEADHO CC(C)[C@H](CNC(=O)CC[C@H](C)[NH3+])N1CCc2ccccc2C1 ZINC000434689695 404923669 /nfs/dbraw/zinc/92/36/69/404923669.db2.gz CBUAFTFFZPWHKW-YJBOKZPZSA-N 1 3 317.477 2.313 20 0 DEADHO CC(C)(N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423916647 404928339 /nfs/dbraw/zinc/92/83/39/404928339.db2.gz ZETKVZRXSMHXLH-DLBZAZTESA-N 1 3 315.461 2.237 20 0 DEADHO CC(C)(N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423916647 404928343 /nfs/dbraw/zinc/92/83/43/404928343.db2.gz ZETKVZRXSMHXLH-DLBZAZTESA-N 1 3 315.461 2.237 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000416838364 404929194 /nfs/dbraw/zinc/92/91/94/404929194.db2.gz IZFDWCIMBFPFNB-SJORKVTESA-N 1 3 318.465 2.202 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000416842035 404930218 /nfs/dbraw/zinc/93/02/18/404930218.db2.gz MOALTTRDRDQYCX-IAGOWNOFSA-N 1 3 318.465 2.121 20 0 DEADHO CCCC[C@@H](C[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000416845973 404933560 /nfs/dbraw/zinc/93/35/60/404933560.db2.gz STZYEAHSDZBESH-DLBZAZTESA-N 1 3 318.465 2.078 20 0 DEADHO CC(C)[C@H]([NH3+])CNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000416849914 404936022 /nfs/dbraw/zinc/93/60/22/404936022.db2.gz YSHTWOIQYXSLJP-ZIAGYGMSSA-N 1 3 324.494 2.168 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000417027810 405008387 /nfs/dbraw/zinc/00/83/87/405008387.db2.gz OEJDCEQTBQMVHH-MRXNPFEDSA-N 1 3 324.513 2.411 20 0 DEADHO COc1ccsc1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000354041029 405016135 /nfs/dbraw/zinc/01/61/35/405016135.db2.gz QMRDJPDAHMUMTL-LSDHHAIUSA-N 1 3 323.506 2.215 20 0 DEADHO COc1ccsc1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000354041029 405016140 /nfs/dbraw/zinc/01/61/40/405016140.db2.gz QMRDJPDAHMUMTL-LSDHHAIUSA-N 1 3 323.506 2.215 20 0 DEADHO CC(C)n1cncc1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000424145314 405021665 /nfs/dbraw/zinc/02/16/65/405021665.db2.gz NEWMUJHWJVNALP-HZPDHXFCSA-N 1 3 308.470 2.443 20 0 DEADHO CN(C)Cc1cccc(CNC(=O)N2CCC[C@H](CC[NH3+])C2)c1 ZINC000417072772 405027367 /nfs/dbraw/zinc/02/73/67/405027367.db2.gz RYTCVYAPIULZJM-OAHLLOKOSA-N 1 3 318.465 2.019 20 0 DEADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCC(C)CC1)c1ccc2c(c1)COC2 ZINC000361344284 405031909 /nfs/dbraw/zinc/03/19/09/405031909.db2.gz CVEFFWFKJUIKDX-DNVCBOLYSA-N 1 3 318.461 2.460 20 0 DEADHO CC(C)N1CCN(CCC[N@H+](C)[C@@H](CO)CC(C)(C)C)CC1 ZINC000451778614 405033778 /nfs/dbraw/zinc/03/37/78/405033778.db2.gz DJSQWNBNYRITOB-QGZVFWFLSA-N 1 3 313.530 2.131 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+](C)[C@@H](CO)CC(C)(C)C)CC1 ZINC000451778614 405033783 /nfs/dbraw/zinc/03/37/83/405033783.db2.gz DJSQWNBNYRITOB-QGZVFWFLSA-N 1 3 313.530 2.131 20 0 DEADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000415926135 404973635 /nfs/dbraw/zinc/97/36/35/404973635.db2.gz YUCTUCRCWOJTBM-UKRRQHHQSA-N 1 3 304.438 2.400 20 0 DEADHO COC(=O)COc1c(C)cc(CN(C)CC(C)(C)C[NH3+])cc1C ZINC000435381257 404976165 /nfs/dbraw/zinc/97/61/65/404976165.db2.gz VTVRWHZCELLJHB-UHFFFAOYSA-N 1 3 322.449 2.272 20 0 DEADHO CCN1CCC(NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)CC1 ZINC000361220923 404979724 /nfs/dbraw/zinc/97/97/24/404979724.db2.gz PDPVIPXHUNIBDX-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N[C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000417012631 405001353 /nfs/dbraw/zinc/00/13/53/405001353.db2.gz XPXQOGGEOFBBPT-GJZGRUSLSA-N 1 3 324.494 2.182 20 0 DEADHO C[C@H]1CC2(CN1CC(=O)N(C)Cc1ccccc1)CC[NH2+]CC2 ZINC000424294344 405059889 /nfs/dbraw/zinc/05/98/89/405059889.db2.gz QAFSGYIBQBANMD-INIZCTEOSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@H]1CC2(CN1CC(=O)N(C)[C@H]1CCCC[C@H]1C)CC[NH2+]CC2 ZINC000424302486 405063006 /nfs/dbraw/zinc/06/30/06/405063006.db2.gz ZPUFSNGDGWYDNJ-IKGGRYGDSA-N 1 3 321.509 2.488 20 0 DEADHO Cn1cc([C@H]2CC[N@H+](C[C@H](CN)c3ccc(F)cc3)C2)cn1 ZINC000424305689 405064226 /nfs/dbraw/zinc/06/42/26/405064226.db2.gz SWPIFPSUCAGHCJ-GJZGRUSLSA-N 1 3 302.397 2.091 20 0 DEADHO Cn1cc([C@H]2CC[N@@H+](C[C@H](CN)c3ccc(F)cc3)C2)cn1 ZINC000424305689 405064232 /nfs/dbraw/zinc/06/42/32/405064232.db2.gz SWPIFPSUCAGHCJ-GJZGRUSLSA-N 1 3 302.397 2.091 20 0 DEADHO Cn1cc([C@H]2CCN(C[C@H](C[NH3+])c3ccc(F)cc3)C2)cn1 ZINC000424305689 405064236 /nfs/dbraw/zinc/06/42/36/405064236.db2.gz SWPIFPSUCAGHCJ-GJZGRUSLSA-N 1 3 302.397 2.091 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCNC(C)(C)C2)C1 ZINC000417222595 405066935 /nfs/dbraw/zinc/06/69/35/405066935.db2.gz QKAXYUWMMXJWGJ-GASCZTMLSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCNC(C)(C)C2)C1 ZINC000417222595 405066941 /nfs/dbraw/zinc/06/69/41/405066941.db2.gz QKAXYUWMMXJWGJ-GASCZTMLSA-N 1 3 324.513 2.136 20 0 DEADHO Cc1ccc(CN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2N)C2CC2)cc1 ZINC000424332460 405069968 /nfs/dbraw/zinc/06/99/68/405069968.db2.gz KSRMQISRGWQIGY-QZTJIDSGSA-N 1 3 315.461 2.346 20 0 DEADHO CC[NH2+]CC1CCN(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000417324432 405087411 /nfs/dbraw/zinc/08/74/11/405087411.db2.gz IVUFCWCGWKTJTK-HOTGVXAUSA-N 1 3 324.513 2.138 20 0 DEADHO CC[NH2+]CC1CCN(C(=O)NCCN2CCCC[C@H]2CC)CC1 ZINC000417699487 405093322 /nfs/dbraw/zinc/09/33/22/405093322.db2.gz KLMPSGAIKYSROO-QGZVFWFLSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@@H](NC(=O)N1CCNC(C)(C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417990781 405108073 /nfs/dbraw/zinc/10/80/73/405108073.db2.gz KVCXVJYUIIDYLQ-CABCVRRESA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](NC(=O)N1CCNC(C)(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000417990781 405108079 /nfs/dbraw/zinc/10/80/79/405108079.db2.gz KVCXVJYUIIDYLQ-CABCVRRESA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](NC(=O)NCC[C@H]1CCC[NH2+]1)[C@H](c1ccccc1)N(C)C ZINC000418183602 405115676 /nfs/dbraw/zinc/11/56/76/405115676.db2.gz OMMSJUHNPQVBHV-USXIJHARSA-N 1 3 318.465 2.119 20 0 DEADHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418599230 405135100 /nfs/dbraw/zinc/13/51/00/405135100.db2.gz ZGWLTFVNRBAXMR-IRXDYDNUSA-N 1 3 318.465 2.030 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418663813 405157576 /nfs/dbraw/zinc/15/75/76/405157576.db2.gz YXKXYVXJOKYBDF-QGZVFWFLSA-N 1 3 320.481 2.448 20 0 DEADHO C[C@@H]1CCN(C)CCN1C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418681653 405164591 /nfs/dbraw/zinc/16/45/91/405164591.db2.gz VNWUHBQPVKRDJU-NVXWUHKLSA-N 1 3 318.465 2.202 20 0 DEADHO c1csc(N2CCC(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)n1 ZINC000367919289 405192046 /nfs/dbraw/zinc/19/20/46/405192046.db2.gz WSAQDIGTSHHQMV-HUUCEWRRSA-N 1 3 306.479 2.328 20 0 DEADHO c1csc(N2CCC(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)n1 ZINC000367919289 405192054 /nfs/dbraw/zinc/19/20/54/405192054.db2.gz WSAQDIGTSHHQMV-HUUCEWRRSA-N 1 3 306.479 2.328 20 0 DEADHO c1csc(N2CCC([NH2+][C@@H]3CCN4CCC[C@@H]4C3)CC2)n1 ZINC000367919289 405192059 /nfs/dbraw/zinc/19/20/59/405192059.db2.gz WSAQDIGTSHHQMV-HUUCEWRRSA-N 1 3 306.479 2.328 20 0 DEADHO C[C@H](NC(=O)C12CCCN1CCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000367967345 405205666 /nfs/dbraw/zinc/20/56/66/405205666.db2.gz UOHUDRADHMMMSM-JKSUJKDBSA-N 1 3 319.493 2.384 20 0 DEADHO C[C@H](NC(=O)C12CCCN1CCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000367967345 405205668 /nfs/dbraw/zinc/20/56/68/405205668.db2.gz UOHUDRADHMMMSM-JKSUJKDBSA-N 1 3 319.493 2.384 20 0 DEADHO Cc1cc(N2CCN(CC[C@@H]3CC[NH2+]C3)CC2)nc(C(C)C)n1 ZINC000420299522 405310704 /nfs/dbraw/zinc/31/07/04/405310704.db2.gz IWPMHFUDUGAFBX-INIZCTEOSA-N 1 3 317.481 2.030 20 0 DEADHO CCO[C@@H]1C[C@H]([N@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)C1(C)C ZINC000420312337 405315195 /nfs/dbraw/zinc/31/51/95/405315195.db2.gz WTALKGXARJTTEF-XLAORIBOSA-N 1 3 320.477 2.053 20 0 DEADHO CCO[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)C1(C)C ZINC000420312337 405315197 /nfs/dbraw/zinc/31/51/97/405315197.db2.gz WTALKGXARJTTEF-XLAORIBOSA-N 1 3 320.477 2.053 20 0 DEADHO CCO[C@@H]1C[C@H](N(C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1(C)C ZINC000420312337 405315198 /nfs/dbraw/zinc/31/51/98/405315198.db2.gz WTALKGXARJTTEF-XLAORIBOSA-N 1 3 320.477 2.053 20 0 DEADHO c1ccc2nc(N3CCN(CC[C@H]4CC[NH2+]C4)CC3)ccc2c1 ZINC000420312539 405315641 /nfs/dbraw/zinc/31/56/41/405315641.db2.gz HXMJNVZSFVFUQP-MRXNPFEDSA-N 1 3 310.445 2.356 20 0 DEADHO CCN(CCOc1ccccc1C(=O)OC)[C@H]1CCC[NH2+]CC1 ZINC000420318091 405316950 /nfs/dbraw/zinc/31/69/50/405316950.db2.gz VSAQATDDMAEDHY-HNNXBMFYSA-N 1 3 320.433 2.316 20 0 DEADHO O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N(C1CC1)C1CCCC1 ZINC000420322363 405318282 /nfs/dbraw/zinc/31/82/82/405318282.db2.gz DVDFBXMKIVPSNA-HZPDHXFCSA-N 1 3 319.493 2.242 20 0 DEADHO C[N@H+](CCc1ccc(F)cc1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420326770 405320607 /nfs/dbraw/zinc/32/06/07/405320607.db2.gz XQGCJWMWGBKTLN-OALUTQOASA-N 1 3 316.420 2.231 20 0 DEADHO C[N@@H+](CCc1ccc(F)cc1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420326770 405320609 /nfs/dbraw/zinc/32/06/09/405320609.db2.gz XQGCJWMWGBKTLN-OALUTQOASA-N 1 3 316.420 2.231 20 0 DEADHO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329428 405321334 /nfs/dbraw/zinc/32/13/34/405321334.db2.gz GTIJFMXNVAWXBS-WJQMWINMSA-N 1 3 321.509 2.247 20 0 DEADHO Cc1cccc(OCCN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000420328798 405321477 /nfs/dbraw/zinc/32/14/77/405321477.db2.gz NBAQIYKKWLNOPX-MSOLQXFVSA-N 1 3 304.434 2.202 20 0 DEADHO CC[C@@H]1CCCCN1C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420333838 405323238 /nfs/dbraw/zinc/32/32/38/405323238.db2.gz FVGWWSCHOHXUGP-YESZJQIVSA-N 1 3 307.482 2.099 20 0 DEADHO COc1ccccc1CCC[N@@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000420335361 405323862 /nfs/dbraw/zinc/32/38/62/405323862.db2.gz UULVYCJBTXENIK-KRWDZBQOSA-N 1 3 318.461 2.315 20 0 DEADHO COc1ccccc1CCC[N@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000420335361 405323865 /nfs/dbraw/zinc/32/38/65/405323865.db2.gz UULVYCJBTXENIK-KRWDZBQOSA-N 1 3 318.461 2.315 20 0 DEADHO COc1ccccc1CCCN1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420335361 405323867 /nfs/dbraw/zinc/32/38/67/405323867.db2.gz UULVYCJBTXENIK-KRWDZBQOSA-N 1 3 318.461 2.315 20 0 DEADHO C[C@@H](C(=O)N(C)C1CCCCC1)N1CCC2(CC[NH2+]C2)CC1 ZINC000420347619 405327749 /nfs/dbraw/zinc/32/77/49/405327749.db2.gz YWRAJBRJPBPQJD-HNNXBMFYSA-N 1 3 307.482 2.242 20 0 DEADHO NCc1cn([C@@H]2CCC[N@H+](CCCc3cccc(F)c3)C2)nn1 ZINC000420377860 405337948 /nfs/dbraw/zinc/33/79/48/405337948.db2.gz LMYKXHVVPJDPNF-QGZVFWFLSA-N 1 3 317.412 2.146 20 0 DEADHO NCc1cn([C@@H]2CCC[N@@H+](CCCc3cccc(F)c3)C2)nn1 ZINC000420377860 405337952 /nfs/dbraw/zinc/33/79/52/405337952.db2.gz LMYKXHVVPJDPNF-QGZVFWFLSA-N 1 3 317.412 2.146 20 0 DEADHO Cc1ncsc1CCN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420383533 405339670 /nfs/dbraw/zinc/33/96/70/405339670.db2.gz QXNQTPZHIGZGLX-GOEBONIOSA-N 1 3 309.479 2.212 20 0 DEADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(CCOc3ccccc3)CC2)C1 ZINC000420393754 405342224 /nfs/dbraw/zinc/34/22/24/405342224.db2.gz QYKRAMXHDGOGKN-SJLPKXTDSA-N 1 3 304.434 2.284 20 0 DEADHO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420399799 405344193 /nfs/dbraw/zinc/34/41/93/405344193.db2.gz IDTMSINLIANLHV-VJANTYMQSA-N 1 3 320.477 2.101 20 0 DEADHO CC(C)C[C@@H]1OCCC[C@@H]1NC[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420399799 405344195 /nfs/dbraw/zinc/34/41/95/405344195.db2.gz IDTMSINLIANLHV-VJANTYMQSA-N 1 3 320.477 2.101 20 0 DEADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCCN1CCCC(C)(C)C1 ZINC000445082849 405344358 /nfs/dbraw/zinc/34/43/58/405344358.db2.gz OIICFCLUIBWTLS-INIZCTEOSA-N 1 3 324.513 2.282 20 0 DEADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NCCN1CCCC(C)(C)C1 ZINC000445082849 405344360 /nfs/dbraw/zinc/34/43/60/405344360.db2.gz OIICFCLUIBWTLS-INIZCTEOSA-N 1 3 324.513 2.282 20 0 DEADHO Cc1c(F)cccc1NC(=O)CCN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420420589 405348383 /nfs/dbraw/zinc/34/83/83/405348383.db2.gz XZJHLUWCDCPNEU-OCCSQVGLSA-N 1 3 307.413 2.379 20 0 DEADHO C[C@H]1C[C@@H](N(C)C(=O)[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000446364970 405380318 /nfs/dbraw/zinc/38/03/18/405380318.db2.gz XPJGDDVICYOHOC-SZMVWBNQSA-N 1 3 315.461 2.107 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)N(C)C[C@H]2CCCN2C)CC1 ZINC000420780636 405382655 /nfs/dbraw/zinc/38/26/55/405382655.db2.gz OAGHIKYGCQNFTN-QGZVFWFLSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000420789814 405385138 /nfs/dbraw/zinc/38/51/38/405385138.db2.gz YGNNJISMJXCABO-SJORKVTESA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000420789814 405385141 /nfs/dbraw/zinc/38/51/41/405385141.db2.gz YGNNJISMJXCABO-SJORKVTESA-N 1 3 324.513 2.234 20 0 DEADHO O[C@H]1C[C@@H](CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000420927602 405407059 /nfs/dbraw/zinc/40/70/59/405407059.db2.gz ACNWNOSPRRMXBP-CEXWTWQISA-N 1 3 300.446 2.355 20 0 DEADHO O[C@H]1C[C@@H](CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000420927602 405407061 /nfs/dbraw/zinc/40/70/61/405407061.db2.gz ACNWNOSPRRMXBP-CEXWTWQISA-N 1 3 300.446 2.355 20 0 DEADHO CC(=O)N[C@H]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000420965521 405417037 /nfs/dbraw/zinc/41/70/37/405417037.db2.gz YFJLYEMTRJJOAW-IBGZPJMESA-N 1 3 315.461 2.383 20 0 DEADHO CCN(Cc1ccc(C(=O)N2CC[C@@H](C[NH2+]C)C2)cc1)C1CC1 ZINC000429459961 405431370 /nfs/dbraw/zinc/43/13/70/405431370.db2.gz XAYQWYQGJMIVTD-INIZCTEOSA-N 1 3 315.461 2.352 20 0 DEADHO C[C@@](C[NH3+])(NCCCc1nc(-c2cccs2)no1)C1CC1 ZINC000430574394 405459310 /nfs/dbraw/zinc/45/93/10/405459310.db2.gz SIUMYYXTFYXAQS-HNNXBMFYSA-N 1 3 306.435 2.448 20 0 DEADHO CN(C)[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455910810 405460778 /nfs/dbraw/zinc/46/07/78/405460778.db2.gz IRIFCJNRSOSULL-NVXWUHKLSA-N 1 3 316.449 2.403 20 0 DEADHO CC[NH2+]CC1CCN([C@H](C)C(=O)NCc2ccccc2)CC1 ZINC000430581063 405460771 /nfs/dbraw/zinc/46/07/71/405460771.db2.gz NOFNKGZGYDOMPI-OAHLLOKOSA-N 1 3 303.450 2.013 20 0 DEADHO COc1cccc(NC(=O)CCN(C)CC[C@H]([NH3+])C(C)C)c1 ZINC000430580377 405460808 /nfs/dbraw/zinc/46/08/08/405460808.db2.gz DTERPMGEEWMCDT-INIZCTEOSA-N 1 3 307.438 2.329 20 0 DEADHO CC[NH2+]CC1CCN([C@H](C)C(=O)NCCc2cccs2)CC1 ZINC000430583197 405461548 /nfs/dbraw/zinc/46/15/48/405461548.db2.gz MOHRDGLPBLGPMJ-CQSZACIVSA-N 1 3 323.506 2.117 20 0 DEADHO C[C@@H](CS(=O)(=O)c1ccccc1)NC1CCC([NH+](C)C)CC1 ZINC000421376628 405481008 /nfs/dbraw/zinc/48/10/08/405481008.db2.gz RUSILYVPKOEOTP-FHERZECASA-N 1 3 324.490 2.311 20 0 DEADHO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C1CCC(N(C)C)CC1 ZINC000421376628 405481012 /nfs/dbraw/zinc/48/10/12/405481012.db2.gz RUSILYVPKOEOTP-FHERZECASA-N 1 3 324.490 2.311 20 0 DEADHO CN(C)C1(CNC(=O)N2CCC(C)([NH+]3CCCC3)CC2)CCC1 ZINC000633178064 405483546 /nfs/dbraw/zinc/48/35/46/405483546.db2.gz KFIOYZWNSGQROD-UHFFFAOYSA-N 1 3 322.497 2.131 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000430697670 405492680 /nfs/dbraw/zinc/49/26/80/405492680.db2.gz BQZUFNKCTITJAW-INIZCTEOSA-N 1 3 303.450 2.256 20 0 DEADHO CCN(C(=O)CN1CCC2(CC[NH2+]C2)CC1)C1CCCCC1 ZINC000431029774 405562228 /nfs/dbraw/zinc/56/22/28/405562228.db2.gz GLDWAZMMIDUIPQ-UHFFFAOYSA-N 1 3 307.482 2.243 20 0 DEADHO CCC[C@@](C)([NH3+])C(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000430742708 405501424 /nfs/dbraw/zinc/50/14/24/405501424.db2.gz YCCCEMZCXWQGFL-IEBWSBKVSA-N 1 3 317.477 2.457 20 0 DEADHO CC(C)N1CC[C@@H](N(C)C(=O)N[C@@H](C)C[NH+]2CCCCCC2)C1 ZINC000458652522 405523954 /nfs/dbraw/zinc/52/39/54/405523954.db2.gz KEJPNXURUMMXFO-DLBZAZTESA-N 1 3 324.513 2.375 20 0 DEADHO C[C@H]([NH3+])C1CCN([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000430928132 405531717 /nfs/dbraw/zinc/53/17/17/405531717.db2.gz SNXGDNSMHHVVGQ-SUMWQHHRSA-N 1 3 301.434 2.066 20 0 DEADHO [NH3+]Cc1cccc2c1N(C(=O)[C@@H]1CNCc3ccccc31)CCC2 ZINC000638542570 405537196 /nfs/dbraw/zinc/53/71/96/405537196.db2.gz BBSQNTLBQYGMPZ-GOSISDBHSA-N 1 3 321.424 2.312 20 0 DEADHO Cc1ccccc1CCNC(=O)[C@H](C)N1CCC([C@H](C)[NH3+])CC1 ZINC000430953525 405543175 /nfs/dbraw/zinc/54/31/75/405543175.db2.gz BZTGSLJZLBGVJC-HOTGVXAUSA-N 1 3 317.477 2.101 20 0 DEADHO C[NH2+]CC1CCN([C@@H](C)C(=O)N(C)Cc2ccccc2C)CC1 ZINC000430953186 405543731 /nfs/dbraw/zinc/54/37/31/405543731.db2.gz SLDPMBNIKZFSER-INIZCTEOSA-N 1 3 317.477 2.273 20 0 DEADHO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)N1CCC([C@H](C)[NH3+])CC1 ZINC000430956550 405545260 /nfs/dbraw/zinc/54/52/60/405545260.db2.gz PEUYSJDHOUUJAL-OWCLPIDISA-N 1 3 317.477 2.354 20 0 DEADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCCCCC[NH+]1CCCC1 ZINC000458838458 405621189 /nfs/dbraw/zinc/62/11/89/405621189.db2.gz CGTLHCDVTHPQMM-DLBZAZTESA-N 1 3 324.513 2.234 20 0 DEADHO CO[C@H](CNC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)CC(C)C ZINC000638747113 405647690 /nfs/dbraw/zinc/64/76/90/405647690.db2.gz AONSIQARFWGFRY-OKZBNKHCSA-N 1 3 312.498 2.405 20 0 DEADHO OCc1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000638749208 405650145 /nfs/dbraw/zinc/65/01/45/405650145.db2.gz KRKXTJYPFRPEAB-OALUTQOASA-N 1 3 318.461 2.036 20 0 DEADHO CN(C[C@H]1CCCN1C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000422043254 405657561 /nfs/dbraw/zinc/65/75/61/405657561.db2.gz WMCVKJITDULNCE-SJORKVTESA-N 1 3 307.482 2.336 20 0 DEADHO CN(C[C@H]1CCCN1C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000422043254 405657568 /nfs/dbraw/zinc/65/75/68/405657568.db2.gz WMCVKJITDULNCE-SJORKVTESA-N 1 3 307.482 2.336 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000449646906 405658525 /nfs/dbraw/zinc/65/85/25/405658525.db2.gz OUJNTDVNUOUALI-SDNTUTLCSA-N 1 3 321.440 2.008 20 0 DEADHO CC[NH+](CC)CCSCC(=O)NC(C)(C)CN1CCCC1 ZINC000457048562 405670613 /nfs/dbraw/zinc/67/06/13/405670613.db2.gz JQFIZRNYDLVWPF-UHFFFAOYSA-N 1 3 315.527 2.052 20 0 DEADHO CC(C)[N@H+](C)CC(=O)N(C)C1CCN(CCC(F)(F)F)CC1 ZINC000457094028 405695189 /nfs/dbraw/zinc/69/51/89/405695189.db2.gz ZCFTZRDSPRZPGK-UHFFFAOYSA-N 1 3 323.403 2.202 20 0 DEADHO CC(C)[N@@H+](C)CC(=O)N(C)C1CCN(CCC(F)(F)F)CC1 ZINC000457094028 405695197 /nfs/dbraw/zinc/69/51/97/405695197.db2.gz ZCFTZRDSPRZPGK-UHFFFAOYSA-N 1 3 323.403 2.202 20 0 DEADHO C[NH2+][C@@H](C)C(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000638829110 405697799 /nfs/dbraw/zinc/69/77/99/405697799.db2.gz JBFHWYMYPFWKRO-GWCFXTLKSA-N 1 3 317.355 2.032 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000528689276 405711098 /nfs/dbraw/zinc/71/10/98/405711098.db2.gz PDIXRARGVQVFOU-INIZCTEOSA-N 1 3 316.449 2.197 20 0 DEADHO CC[C@@H]1C[C@H]1CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000459030313 405704291 /nfs/dbraw/zinc/70/42/91/405704291.db2.gz RUCMMPQRXWCDNE-IXDOHACOSA-N 1 3 324.513 2.090 20 0 DEADHO CC[C@@H]1C[C@H]1CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000459030313 405704298 /nfs/dbraw/zinc/70/42/98/405704298.db2.gz RUCMMPQRXWCDNE-IXDOHACOSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@@H]1CCN(CCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000558853554 405705514 /nfs/dbraw/zinc/70/55/14/405705514.db2.gz JNQIWOMLXKMCPF-MRXNPFEDSA-N 1 3 315.461 2.354 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCOc1ccc(F)c(Cl)c1 ZINC000423155058 405706565 /nfs/dbraw/zinc/70/65/65/405706565.db2.gz ISSKQDNBRVJVQX-ITDIGPHOSA-N 1 3 316.804 2.200 20 0 DEADHO C[N@H+](CCCNC(=O)[C@@H]1CCCN1C1CC1)C1CCCCC1 ZINC000494578821 405722774 /nfs/dbraw/zinc/72/27/74/405722774.db2.gz IOHUGNNJCWEIIW-KRWDZBQOSA-N 1 3 307.482 2.384 20 0 DEADHO C[N@@H+](CCCNC(=O)[C@@H]1CCCN1C1CC1)C1CCCCC1 ZINC000494578821 405722779 /nfs/dbraw/zinc/72/27/79/405722779.db2.gz IOHUGNNJCWEIIW-KRWDZBQOSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@@H](NCCN1CC[NH2+]CC1)c1ccc(Br)s1 ZINC000423199471 405718653 /nfs/dbraw/zinc/71/86/53/405718653.db2.gz BPZHAWGRXVTDTA-SNVBAGLBSA-N 1 3 318.284 2.066 20 0 DEADHO COc1cc([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)ccn1 ZINC000559920503 405760677 /nfs/dbraw/zinc/76/06/77/405760677.db2.gz AKOCHJJSHPCYMG-RRQGHBQHSA-N 1 3 319.449 2.119 20 0 DEADHO C[C@H]1C[C@H](C)C[NH+](CCN2CCC(C)(N3CCOCC3)CC2)C1 ZINC000528727445 405724395 /nfs/dbraw/zinc/72/43/95/405724395.db2.gz FHRNZKDPHWFLAX-ROUUACIJSA-N 1 3 323.525 2.151 20 0 DEADHO COc1cccc(C)c1CNCCN1CCC([NH+](C)C)CC1 ZINC000638875532 405732793 /nfs/dbraw/zinc/73/27/93/405732793.db2.gz AXHQOBBAKOJHFB-UHFFFAOYSA-N 1 3 305.466 2.119 20 0 DEADHO O=C(CC[C@H]1CCC[NH2+]1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000494655955 405737771 /nfs/dbraw/zinc/73/77/71/405737771.db2.gz MVKIBZSSESZFSN-QZTJIDSGSA-N 1 3 315.461 2.472 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638924839 405761775 /nfs/dbraw/zinc/76/17/75/405761775.db2.gz GUERYAYCSCQDDH-BETUJISGSA-N 1 3 313.401 2.071 20 0 DEADHO CC[N@@H+]1CCC[C@H](CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000494709375 405752905 /nfs/dbraw/zinc/75/29/05/405752905.db2.gz GGXMYSYLZCSMBX-CABCVRRESA-N 1 3 311.470 2.317 20 0 DEADHO CC[N@H+]1CCC[C@H](CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000494709375 405752910 /nfs/dbraw/zinc/75/29/10/405752910.db2.gz GGXMYSYLZCSMBX-CABCVRRESA-N 1 3 311.470 2.317 20 0 DEADHO C[NH+]1CCC(CNC(=O)C(C)(C)[C@@H](N)c2ccccc2)CC1 ZINC000423360215 405776821 /nfs/dbraw/zinc/77/68/21/405776821.db2.gz QBMWVNJXFWHWIV-INIZCTEOSA-N 1 3 303.450 2.171 20 0 DEADHO CN1CCC([NH2+][C@@H]2CNCC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000423362916 405778559 /nfs/dbraw/zinc/77/85/59/405778559.db2.gz INCILZRVVNRSAJ-RHSMWYFYSA-N 1 3 309.404 2.094 20 0 DEADHO CN1CCC2(CCCN2C(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000459170072 405781407 /nfs/dbraw/zinc/78/14/07/405781407.db2.gz WNUYDTSFTYSTLS-UHFFFAOYSA-N 1 3 322.497 2.131 20 0 DEADHO CN1CCC2(CCCN2C(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000459170072 405781414 /nfs/dbraw/zinc/78/14/14/405781414.db2.gz WNUYDTSFTYSTLS-UHFFFAOYSA-N 1 3 322.497 2.131 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCN(C2CCC(C)CC2)CC1)[C@H](C)[NH3+] ZINC000423416767 405797792 /nfs/dbraw/zinc/79/77/92/405797792.db2.gz GBSVSUQEIURLTC-ODZFXCKXSA-N 1 3 309.498 2.329 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000583993392 405802982 /nfs/dbraw/zinc/80/29/82/405802982.db2.gz YEEGQJISPALRAT-KRWDZBQOSA-N 1 3 307.482 2.240 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21)N(CC)CC ZINC000639021053 405823629 /nfs/dbraw/zinc/82/36/29/405823629.db2.gz DWIWOEPAUWWHKL-GDBMZVCRSA-N 1 3 303.450 2.271 20 0 DEADHO N[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)C1CCC1 ZINC000423340048 405767778 /nfs/dbraw/zinc/76/77/78/405767778.db2.gz SNVCVMJUXNZJCJ-KRWDZBQOSA-N 1 3 301.434 2.026 20 0 DEADHO CC1CCN([C@@H](CNC(=O)C2(C)C[NH2+]C2)c2ccccc2)CC1 ZINC000423340571 405768601 /nfs/dbraw/zinc/76/86/01/405768601.db2.gz BVABKUZEFTZFJL-KRWDZBQOSA-N 1 3 315.461 2.185 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000433137848 405877260 /nfs/dbraw/zinc/87/72/60/405877260.db2.gz VFVZRRBMAWNZAN-SFHVURJKSA-N 1 3 317.477 2.041 20 0 DEADHO CC(C)[C@@H](C[NH3+])C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000433138379 405877274 /nfs/dbraw/zinc/87/72/74/405877274.db2.gz SBBSYUFPRVITAP-GDBMZVCRSA-N 1 3 323.506 2.307 20 0 DEADHO C[C@H](NCCc1nccn1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000560966668 405881892 /nfs/dbraw/zinc/88/18/92/405881892.db2.gz HDZOOKDWEHVWBN-FUHWJXTLSA-N 1 3 312.461 2.452 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000433158516 405883626 /nfs/dbraw/zinc/88/36/26/405883626.db2.gz BCOGCAUEQLAQNU-DLBZAZTESA-N 1 3 303.450 2.171 20 0 DEADHO CC(C)[NH+](CCNC(=O)N1CCN(C2CC2)C[C@H](C)C1)C(C)C ZINC000457418355 405833943 /nfs/dbraw/zinc/83/39/43/405833943.db2.gz HESJALWVFJFZLW-INIZCTEOSA-N 1 3 324.513 2.231 20 0 DEADHO CC(C)[NH+](CCNC(=O)N1CCN(C2CC2)C[C@@H](C)C1)C(C)C ZINC000457418357 405834067 /nfs/dbraw/zinc/83/40/67/405834067.db2.gz HESJALWVFJFZLW-MRXNPFEDSA-N 1 3 324.513 2.231 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)NCCC[NH2+]C1CC1 ZINC000423522012 405839042 /nfs/dbraw/zinc/83/90/42/405839042.db2.gz GYMXHFWRKIPRFA-ZDUSSCGKSA-N 1 3 305.422 2.144 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)[NH2+]CCCNC1CC1 ZINC000423522012 405839043 /nfs/dbraw/zinc/83/90/43/405839043.db2.gz GYMXHFWRKIPRFA-ZDUSSCGKSA-N 1 3 305.422 2.144 20 0 DEADHO CCCC[N@H+](C)CCNC(=O)Nc1cccc2c1CCNC2 ZINC000584220382 405850115 /nfs/dbraw/zinc/85/01/15/405850115.db2.gz LPTXPPYVQCKOMX-UHFFFAOYSA-N 1 3 304.438 2.186 20 0 DEADHO CCCC[N@@H+](C)CCNC(=O)Nc1cccc2c1CCNC2 ZINC000584220382 405850118 /nfs/dbraw/zinc/85/01/18/405850118.db2.gz LPTXPPYVQCKOMX-UHFFFAOYSA-N 1 3 304.438 2.186 20 0 DEADHO CCC1([NH+]2CCCC2)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000633953754 405927605 /nfs/dbraw/zinc/92/76/05/405927605.db2.gz PCIZXLREALCSAP-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@]2(C)CCCCN2)C1 ZINC000423724908 405929520 /nfs/dbraw/zinc/92/95/20/405929520.db2.gz HQJPVTHNRGACGM-DFGXFYAUSA-N 1 3 307.482 2.382 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@]2(C)CCCCN2)C1 ZINC000423724908 405929522 /nfs/dbraw/zinc/92/95/22/405929522.db2.gz HQJPVTHNRGACGM-DFGXFYAUSA-N 1 3 307.482 2.382 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@@H]2C[C@H](C)CCN2)C1 ZINC000423729803 405931583 /nfs/dbraw/zinc/93/15/83/405931583.db2.gz OJBBXRSNMABKAW-NRKLIOEPSA-N 1 3 307.482 2.238 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@@H]2C[C@H](C)CCN2)C1 ZINC000423729803 405931585 /nfs/dbraw/zinc/93/15/85/405931585.db2.gz OJBBXRSNMABKAW-NRKLIOEPSA-N 1 3 307.482 2.238 20 0 DEADHO CC1([NH+]2CCCC2)CCN(C(=O)[C@@H](C2CC2)N2CCCC2)CC1 ZINC000633965719 405933351 /nfs/dbraw/zinc/93/33/51/405933351.db2.gz QUHBRGBMFWCVCY-QGZVFWFLSA-N 1 3 319.493 2.338 20 0 DEADHO CN1CCC(CC(=O)N2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000633964622 405933361 /nfs/dbraw/zinc/93/33/61/405933361.db2.gz MUDAIVXOXVRZHW-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])cc1 ZINC000423733454 405934440 /nfs/dbraw/zinc/93/44/40/405934440.db2.gz PYPHNRXNIIKVPZ-AEFFLSMTSA-N 1 3 303.450 2.272 20 0 DEADHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000423771864 405955464 /nfs/dbraw/zinc/95/54/64/405955464.db2.gz KASAXSFUGHOJAB-DZOHQFGASA-N 1 3 315.461 2.408 20 0 DEADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000423771864 405955467 /nfs/dbraw/zinc/95/54/67/405955467.db2.gz KASAXSFUGHOJAB-DZOHQFGASA-N 1 3 315.461 2.408 20 0 DEADHO CN(C)C[C@@H](NC(=O)CC[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423781479 405963594 /nfs/dbraw/zinc/96/35/94/405963594.db2.gz XRIHOSNTFQXPEW-XJKSGUPXSA-N 1 3 323.868 2.449 20 0 DEADHO O=C([C@H]1CCCCN1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423799467 405975889 /nfs/dbraw/zinc/97/58/89/405975889.db2.gz QAEZJZKDUXIRCE-QGZVFWFLSA-N 1 3 307.482 2.243 20 0 DEADHO COc1ccccc1NC(=O)C[C@@H](C)NCC[N@@H+]1CC[C@H](C)C1 ZINC000532531058 406082722 /nfs/dbraw/zinc/08/27/22/406082722.db2.gz GQTBGZWDVJGBEU-LSDHHAIUSA-N 1 3 319.449 2.344 20 0 DEADHO COc1ccccc1NC(=O)C[C@@H](C)NCC[N@H+]1CC[C@H](C)C1 ZINC000532531058 406082723 /nfs/dbraw/zinc/08/27/23/406082723.db2.gz GQTBGZWDVJGBEU-LSDHHAIUSA-N 1 3 319.449 2.344 20 0 DEADHO CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H]1CNCc2ccccc21 ZINC000515843016 406083273 /nfs/dbraw/zinc/08/32/73/406083273.db2.gz OJWKQHBGGULWEH-OALUTQOASA-N 1 3 323.440 2.252 20 0 DEADHO O=C1OCCN1c1cccc2c1CCN(CC[C@@H]1CC[NH2+]C1)C2 ZINC000497256383 406039496 /nfs/dbraw/zinc/03/94/96/406039496.db2.gz FFGGWTCOXDACDR-AWEZNQCLSA-N 1 3 315.417 2.001 20 0 DEADHO CN(C)[C@@H](CNC(=O)CCCC[NH+](C)C)Cc1ccccc1 ZINC000515390572 406065400 /nfs/dbraw/zinc/06/54/00/406065400.db2.gz GGKLJFKCTHNVIU-QGZVFWFLSA-N 1 3 305.466 2.007 20 0 DEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000565593459 406074179 /nfs/dbraw/zinc/07/41/79/406074179.db2.gz XGAAMDXWTYCCIH-QKPAOTATSA-N 1 3 316.511 2.243 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000634269043 406074734 /nfs/dbraw/zinc/07/47/34/406074734.db2.gz DNNKUHDKJQSHEY-IRXDYDNUSA-N 1 3 318.465 2.251 20 0 DEADHO C[C@H](CNC(=O)C[C@@H](N)Cc1ccccc1)C[NH+]1CCCCC1 ZINC000518972089 406169814 /nfs/dbraw/zinc/16/98/14/406169814.db2.gz LTWUCMGREPQHDP-AEFFLSMTSA-N 1 3 317.477 2.185 20 0 DEADHO C[NH+](C)Cc1ccc(CNC(=O)CN2CCC(C)(C)C2)cc1 ZINC000518559606 406146876 /nfs/dbraw/zinc/14/68/76/406146876.db2.gz CIDUCPUDTRYCAE-UHFFFAOYSA-N 1 3 303.450 2.096 20 0 DEADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000485213861 406182547 /nfs/dbraw/zinc/18/25/47/406182547.db2.gz XWLXQTRFUVTKAB-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000485213861 406182551 /nfs/dbraw/zinc/18/25/51/406182551.db2.gz XWLXQTRFUVTKAB-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO Cc1nn(C)c2ncc(C[NH2+]CC3(CN(C)C)CCCC3)cc12 ZINC000568109032 406193112 /nfs/dbraw/zinc/19/31/12/406193112.db2.gz WUDDUFPPRLHOLW-UHFFFAOYSA-N 1 3 315.465 2.488 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)N(C)CCC[NH3+])N2CCCC2)cc1 ZINC000519358835 406193235 /nfs/dbraw/zinc/19/32/35/406193235.db2.gz HRFIUADEBIDWDQ-QGZVFWFLSA-N 1 3 318.465 2.122 20 0 DEADHO CC(C)CNC(=O)CCC[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639683630 406204504 /nfs/dbraw/zinc/20/45/04/406204504.db2.gz JGKDAXWXPUZIRT-UHFFFAOYSA-N 1 3 318.465 2.146 20 0 DEADHO CC(C)CNC(=O)CCC[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639683630 406204507 /nfs/dbraw/zinc/20/45/07/406204507.db2.gz JGKDAXWXPUZIRT-UHFFFAOYSA-N 1 3 318.465 2.146 20 0 DEADHO CC[N@@H+]1CC[C@@H](NCCn2ccc(C(F)(F)F)n2)[C@@H](C)C1 ZINC000634687460 406225863 /nfs/dbraw/zinc/22/58/63/406225863.db2.gz LRFKEYSHYYQIGP-NWDGAFQWSA-N 1 3 304.360 2.222 20 0 DEADHO CC[N@H+]1CC[C@@H](NCCn2ccc(C(F)(F)F)n2)[C@@H](C)C1 ZINC000634687460 406225866 /nfs/dbraw/zinc/22/58/66/406225866.db2.gz LRFKEYSHYYQIGP-NWDGAFQWSA-N 1 3 304.360 2.222 20 0 DEADHO [NH3+]C[C@@H](NC(=O)NC[C@H]1CCCCN1C1CC1)C1CCCCC1 ZINC000568966196 292380076 /nfs/dbraw/zinc/38/00/76/292380076.db2.gz BQNNZUWDUHGTNX-IAGOWNOFSA-N 1 3 322.497 2.210 20 0 DEADHO CC(C)N(C(=O)[C@H](C)N1CCC2(C1)CC[NH+](C)CC2)C(C)C ZINC000639760059 406240221 /nfs/dbraw/zinc/24/02/21/406240221.db2.gz QLZSQLYGWWQXFI-INIZCTEOSA-N 1 3 309.498 2.438 20 0 DEADHO OCC1([C@@H](NCCC[NH+]2CCCCC2)[C@H]2CCCO2)CCC1 ZINC000639770053 406243772 /nfs/dbraw/zinc/24/37/72/406243772.db2.gz ZWWNLMTYWIAWDV-SJORKVTESA-N 1 3 310.482 2.162 20 0 DEADHO C[NH+](C)CCOc1cc(CNC/C=C/c2ccncc2)ccn1 ZINC000487554659 406244713 /nfs/dbraw/zinc/24/47/13/406244713.db2.gz DZRUKJUHXPQCDD-ONEGZZNKSA-N 1 3 312.417 2.220 20 0 DEADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)CNC1CC1 ZINC000519779813 406252857 /nfs/dbraw/zinc/25/28/57/406252857.db2.gz RNIDBHVXDZEQJK-UHFFFAOYSA-N 1 3 303.450 2.109 20 0 DEADHO N[C@@H]1CCC[C@H]([NH2+]CC2(CN3CCOCC3)CCCCC2)C1 ZINC000569555285 406268265 /nfs/dbraw/zinc/26/82/65/406268265.db2.gz BCONQRZZZJBLTN-SJORKVTESA-N 1 3 309.498 2.129 20 0 DEADHO COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](N)C2)C1 ZINC000569624279 406280953 /nfs/dbraw/zinc/28/09/53/406280953.db2.gz WHNMMBGUYILGJF-BZUAXINKSA-N 1 3 303.450 2.381 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000520807591 406316694 /nfs/dbraw/zinc/31/66/94/406316694.db2.gz LOJHBYXGBZOBLT-UHFFFAOYSA-N 1 3 318.465 2.161 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000637473448 406320165 /nfs/dbraw/zinc/32/01/65/406320165.db2.gz QFJPOIDNHLVSIN-WBVHZDCISA-N 1 3 322.497 2.175 20 0 DEADHO CCCC[N@H+](C)CCNC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000488958422 406364751 /nfs/dbraw/zinc/36/47/51/406364751.db2.gz XDRVCTFXBVCEGE-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO CCCC[N@@H+](C)CCNC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000488958422 406364758 /nfs/dbraw/zinc/36/47/58/406364758.db2.gz XDRVCTFXBVCEGE-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO N[C@@H](CC(=O)N1C[C@H](C[NH3+])Cc2ccccc21)c1ccccc1 ZINC000632868306 406299184 /nfs/dbraw/zinc/29/91/84/406299184.db2.gz GDKVDDVCWLJTPQ-YOEHRIQHSA-N 1 3 309.413 2.241 20 0 DEADHO Cc1nc([C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)cs1 ZINC000635010751 406398415 /nfs/dbraw/zinc/39/84/15/406398415.db2.gz LCDDZKXOFKGCMU-LLVKDONJSA-N 1 3 303.435 2.429 20 0 DEADHO Cc1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCN(C(C)C)C2)c1 ZINC000521862655 406369541 /nfs/dbraw/zinc/36/95/41/406369541.db2.gz GXOSMODUXPYKMT-ROUUACIJSA-N 1 3 320.477 2.445 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@@H](NC[C@@H](O)COCc2ccccc2)C1 ZINC000570274221 406370212 /nfs/dbraw/zinc/37/02/12/406370212.db2.gz YKNXTRCAERHQDH-KZNAEPCWSA-N 1 3 306.450 2.027 20 0 DEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COCc2ccccc2)C1 ZINC000570274221 406370217 /nfs/dbraw/zinc/37/02/17/406370217.db2.gz YKNXTRCAERHQDH-KZNAEPCWSA-N 1 3 306.450 2.027 20 0 DEADHO [NH3+][C@H]1CC=C(C(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000638053042 406545338 /nfs/dbraw/zinc/54/53/38/406545338.db2.gz FQVHUZFAZWPKPV-SFHVURJKSA-N 1 3 313.445 2.336 20 0 DEADHO CC[C@@H](N)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000571759213 406561157 /nfs/dbraw/zinc/56/11/57/406561157.db2.gz FHSZKLNIJRQPIB-IEBWSBKVSA-N 1 3 315.461 2.238 20 0 DEADHO CC[C@@H](N)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000571759213 406561160 /nfs/dbraw/zinc/56/11/60/406561160.db2.gz FHSZKLNIJRQPIB-IEBWSBKVSA-N 1 3 315.461 2.238 20 0 DEADHO C[C@H]1CCN(CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000548901745 406566581 /nfs/dbraw/zinc/56/65/81/406566581.db2.gz ZLFZUIZVRJMBMY-INIZCTEOSA-N 1 3 315.461 2.109 20 0 DEADHO C[NH+](C)C/C=C\C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000491686663 406669139 /nfs/dbraw/zinc/66/91/39/406669139.db2.gz RUEDKHKTDIRBHH-SDMNGIDPSA-N 1 3 301.434 2.058 20 0 DEADHO CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000635690028 406683495 /nfs/dbraw/zinc/68/34/95/406683495.db2.gz OPQIKMGBDXQOSR-MSOLQXFVSA-N 1 3 315.461 2.061 20 0 DEADHO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000635690028 406683499 /nfs/dbraw/zinc/68/34/99/406683499.db2.gz OPQIKMGBDXQOSR-MSOLQXFVSA-N 1 3 315.461 2.061 20 0 DEADHO C[NH+](C)C/C=C\C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000491861893 406752898 /nfs/dbraw/zinc/75/28/98/406752898.db2.gz BCGXHAGMGKMNRY-UFRMUOTOSA-N 1 3 321.490 2.194 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@H]2[NH2+]CC2(C)C)CCN1Cc1ccccc1 ZINC000646176398 406809131 /nfs/dbraw/zinc/80/91/31/406809131.db2.gz ULIVBOHANLYHAR-DJIMGWMZSA-N 1 3 315.461 2.154 20 0 DEADHO [NH3+]CC1(CC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000646408932 406858766 /nfs/dbraw/zinc/85/87/66/406858766.db2.gz UCAQCVBHADLJOW-KRWDZBQOSA-N 1 3 315.461 2.459 20 0 DEADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000646409923 406859703 /nfs/dbraw/zinc/85/97/03/406859703.db2.gz FCIGSCJPYRXQKQ-CGTJXYLNSA-N 1 3 315.461 2.328 20 0 DEADHO CN(C)C[C@H](NC(=O)CC1([NH3+])CCC1)c1ccc(Cl)cc1 ZINC000646452549 406866542 /nfs/dbraw/zinc/86/65/42/406866542.db2.gz DBQCPERBDCEEHR-AWEZNQCLSA-N 1 3 309.841 2.330 20 0 DEADHO COc1ccccc1[C@H](N)CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000646605137 406885464 /nfs/dbraw/zinc/88/54/64/406885464.db2.gz ZGVKCBKLHACQLA-GOEBONIOSA-N 1 3 319.449 2.076 20 0 DEADHO COc1ccccc1[C@H](N)CNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000646605137 406885468 /nfs/dbraw/zinc/88/54/68/406885468.db2.gz ZGVKCBKLHACQLA-GOEBONIOSA-N 1 3 319.449 2.076 20 0 DEADHO CCN(CC)CC[C@H](CO)[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000641771595 406888799 /nfs/dbraw/zinc/88/87/99/406888799.db2.gz JUFFGUISPJBUSU-CQSZACIVSA-N 1 3 322.478 2.116 20 0 DEADHO CC1(C)[C@H](NCCCc2nc(-c3cccs3)no2)C[C@@H]1[NH3+] ZINC000641807109 406897843 /nfs/dbraw/zinc/89/78/43/406897843.db2.gz QKCDOMYEORGHBU-NWDGAFQWSA-N 1 3 306.435 2.446 20 0 DEADHO CC(C)C1CCC(N2CCN(C(=O)NC/C=C/C[NH3+])CC2)CC1 ZINC000641869528 406905470 /nfs/dbraw/zinc/90/54/70/406905470.db2.gz CCRZCOVLVFLGMY-ONEGZZNKSA-N 1 3 322.497 2.043 20 0 DEADHO C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cn(-c2ccccc2)nn1 ZINC000647548613 407018716 /nfs/dbraw/zinc/01/87/16/407018716.db2.gz KSPRUXWWASVJOV-ZJIFWQFVSA-N 1 3 311.433 2.306 20 0 DEADHO Cc1ccc(C2([NH2+]C[C@H]3CCCN(C(=O)CN)C3)CCC2)cc1 ZINC000647553206 407019683 /nfs/dbraw/zinc/01/96/83/407019683.db2.gz IUQAEMSHYFLERH-MRXNPFEDSA-N 1 3 315.461 2.161 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC000647767542 407048951 /nfs/dbraw/zinc/04/89/51/407048951.db2.gz RSXKKRUPRXUSLF-XYPHTWIQSA-N 1 3 303.450 2.266 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC000647767542 407048955 /nfs/dbraw/zinc/04/89/55/407048955.db2.gz RSXKKRUPRXUSLF-XYPHTWIQSA-N 1 3 303.450 2.266 20 0 DEADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCCc2ncn(C)n2)CC1 ZINC000647325888 406986466 /nfs/dbraw/zinc/98/64/66/406986466.db2.gz SEDMATVHVBVSSO-RDJZCZTQSA-N 1 3 319.497 2.380 20 0 DEADHO C[C@H]1CCCC[C@@H]1N1CCC([NH2+]CCCc2ncn(C)n2)CC1 ZINC000647325888 406986469 /nfs/dbraw/zinc/98/64/69/406986469.db2.gz SEDMATVHVBVSSO-RDJZCZTQSA-N 1 3 319.497 2.380 20 0 DEADHO CO[C@@H]1COC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000647335286 406987376 /nfs/dbraw/zinc/98/73/76/406987376.db2.gz VXRWHVOELHAYLW-RHQZKXFESA-N 1 3 316.445 2.185 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)CCN1C ZINC000647344404 406988995 /nfs/dbraw/zinc/98/89/95/406988995.db2.gz PXCXUGUPVDTEAB-NQYYFHDYSA-N 1 3 301.478 2.404 20 0 DEADHO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000647343698 406989137 /nfs/dbraw/zinc/98/91/37/406989137.db2.gz AJORDTCQLFCNKH-MFHCWRBVSA-N 1 3 313.489 2.404 20 0 DEADHO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(OCCN(C)C)cc1 ZINC000647483743 407006216 /nfs/dbraw/zinc/00/62/16/407006216.db2.gz GERQXJAFLZKZCJ-QAPCUYQASA-N 1 3 305.466 2.329 20 0 DEADHO C[NH2+]CC1CCN(Cc2cn(C)nc2-c2ccc(C)o2)CC1 ZINC000647494240 407007329 /nfs/dbraw/zinc/00/73/29/407007329.db2.gz IRYPJQRPCXKTGD-UHFFFAOYSA-N 1 3 302.422 2.420 20 0 DEADHO O=C(CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)N1CCCCCC1 ZINC000647975111 407091857 /nfs/dbraw/zinc/09/18/57/407091857.db2.gz LPPBXSAELCRRFG-DLBZAZTESA-N 1 3 307.482 2.101 20 0 DEADHO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000647831900 407058344 /nfs/dbraw/zinc/05/83/44/407058344.db2.gz RBJZQHUOGNPHND-YJBOKZPZSA-N 1 3 315.461 2.447 20 0 DEADHO CC[C@@H]1CN(CCC(=O)Nc2ccc(OC)cc2)CC[C@H]1[NH3+] ZINC000647934578 407078591 /nfs/dbraw/zinc/07/85/91/407078591.db2.gz JKZKPRJQTUKPCZ-CZUORRHYSA-N 1 3 305.422 2.083 20 0 DEADHO CC[C@@H]1CN(CCC(=O)NCc2ccccc2Cl)CC[C@H]1[NH3+] ZINC000647938362 407079959 /nfs/dbraw/zinc/07/99/59/407079959.db2.gz KQQAENHBBISQPP-CZUORRHYSA-N 1 3 323.868 2.406 20 0 DEADHO CC[C@@H](C)N[C@H](CNC(=O)N(C)CC(C)(C)C[NH3+])c1ccco1 ZINC000418169897 286786499 /nfs/dbraw/zinc/78/64/99/286786499.db2.gz QUOVOLOWLVDFMZ-ZIAGYGMSSA-N 1 3 324.469 2.335 20 0 DEADHO C[C@@H](CC(=O)N1CC[C@H](N2CCCCC2)C1)C1CC[NH2+]CC1 ZINC000430896407 286795483 /nfs/dbraw/zinc/79/54/83/286795483.db2.gz HNRKZVNBLIWOBA-RDJZCZTQSA-N 1 3 307.482 2.099 20 0 DEADHO N[C@@H](CC1CCCCC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000645221255 407249115 /nfs/dbraw/zinc/24/91/15/407249115.db2.gz JVBXHBAWLOKCQO-KRWDZBQOSA-N 1 3 316.449 2.028 20 0 DEADHO C[C@H](CNC(=O)Nc1ccc2c(c1)CNC2)C[NH+]1CCCC1 ZINC000569691975 292435057 /nfs/dbraw/zinc/43/50/57/292435057.db2.gz ONEMXLBWXUMTHT-CYBMUJFWSA-N 1 3 302.422 2.143 20 0 DEADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)Cc1ccco1 ZINC000571431316 292549181 /nfs/dbraw/zinc/54/91/81/292549181.db2.gz VUFYNGNEYCGYJK-DZOHQFGASA-N 1 3 306.450 2.331 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000130833803 196114535 /nfs/dbraw/zinc/11/45/35/196114535.db2.gz UBRDBPLRRNIDOE-IRXDYDNUSA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000130833803 196114536 /nfs/dbraw/zinc/11/45/36/196114536.db2.gz UBRDBPLRRNIDOE-IRXDYDNUSA-N 1 3 324.513 2.090 20 0 DEADHO CN(C)Cc1cccc(CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000296174859 225618269 /nfs/dbraw/zinc/61/82/69/225618269.db2.gz XLBHKGXMZCJFII-DLBZAZTESA-N 1 3 303.450 2.272 20 0 DEADHO CN(C)CCOc1ccc(NC(=O)C2CC[NH+](C)CC2)c(F)c1 ZINC000413901182 228394869 /nfs/dbraw/zinc/39/48/69/228394869.db2.gz MGZMGIFBMVMLRO-UHFFFAOYSA-N 1 3 323.412 2.046 20 0 DEADHO CN(C)[C@H](CNC(=O)N1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000416803920 228901271 /nfs/dbraw/zinc/90/12/71/228901271.db2.gz JJGNONDXVCVAPP-DOTOQJQBSA-N 1 3 318.465 2.060 20 0 DEADHO C[C@H](CC[NH3+])NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000417735125 229082320 /nfs/dbraw/zinc/08/23/20/229082320.db2.gz KZAHPOHKDOOINM-NFAWXSAZSA-N 1 3 324.494 2.168 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@H](C)CCC[NH3+])N(C)C ZINC000418160130 229246428 /nfs/dbraw/zinc/24/64/28/229246428.db2.gz AZCFFLYKVCJYNA-INMHGKMJSA-N 1 3 320.481 2.413 20 0 DEADHO CN(C)CCN(C(=O)NCC1([NH3+])CCCCC1)C1CCCC1 ZINC000418322532 229310050 /nfs/dbraw/zinc/31/00/50/229310050.db2.gz SVWMVDPRGPSBPX-UHFFFAOYSA-N 1 3 310.486 2.164 20 0 DEADHO O=C(NCC[C@H]1CCC[NH2+]C1)N1CCC[C@@H]1CN1CCCCC1 ZINC000418342970 229316571 /nfs/dbraw/zinc/31/65/71/229316571.db2.gz JCIITALZHQDMIY-IAGOWNOFSA-N 1 3 322.497 2.036 20 0 DEADHO C[C@@H]1CCN(C(=O)NCC(C)(C)[NH3+])CCN1Cc1ccccc1 ZINC000418423134 229342979 /nfs/dbraw/zinc/34/29/79/229342979.db2.gz FGNWCLXYGDJTCH-OAHLLOKOSA-N 1 3 318.465 2.030 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418563731 229389056 /nfs/dbraw/zinc/38/90/56/229389056.db2.gz IMDVBVQHEZTUBE-ZIAGYGMSSA-N 1 3 324.494 2.091 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418563730 229389127 /nfs/dbraw/zinc/38/91/27/229389127.db2.gz IMDVBVQHEZTUBE-UONOGXRCSA-N 1 3 324.494 2.091 20 0 DEADHO O=C(CCN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1)N1CCCCC1 ZINC000422698511 230166646 /nfs/dbraw/zinc/16/66/46/230166646.db2.gz ZPDONRUHWCKWTD-ZWKOTPCHSA-N 1 3 315.461 2.472 20 0 DEADHO C[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)N1CCc2ccccc2C1 ZINC000422716105 230174014 /nfs/dbraw/zinc/17/40/14/230174014.db2.gz MWWVRZWQJYVVRO-GPMSIDNRSA-N 1 3 301.478 2.411 20 0 DEADHO CN(C)C(=O)C1(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCCC1 ZINC000422729862 230181006 /nfs/dbraw/zinc/18/10/06/230181006.db2.gz LDLMWZMJVDVEKL-BZUAXINKSA-N 1 3 307.482 2.145 20 0 DEADHO [NH3+]C[C@H]1CCC[C@@H]1NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000422784639 230206811 /nfs/dbraw/zinc/20/68/11/230206811.db2.gz IZDYLELTLNCERF-DYVFJYSZSA-N 1 3 302.397 2.271 20 0 DEADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422784639 230206817 /nfs/dbraw/zinc/20/68/17/230206817.db2.gz IZDYLELTLNCERF-DYVFJYSZSA-N 1 3 302.397 2.271 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCO[C@@H](C)c1ccccc1 ZINC000422793924 230212003 /nfs/dbraw/zinc/21/20/03/230212003.db2.gz XRUDRZCQWJDTHE-UOVPBQLFSA-N 1 3 306.450 2.496 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000422811250 230221288 /nfs/dbraw/zinc/22/12/88/230221288.db2.gz VQQXZPDIULBOMX-OTWHNJEPSA-N 1 3 317.477 2.167 20 0 DEADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](c1ccccc1)N1CCOCC1 ZINC000422811250 230221294 /nfs/dbraw/zinc/22/12/94/230221294.db2.gz VQQXZPDIULBOMX-OTWHNJEPSA-N 1 3 317.477 2.167 20 0 DEADHO C[C@H](NCc1ccccc1OCCN(C)C)[C@H]1CCCC[NH2+]1 ZINC000422819606 230225601 /nfs/dbraw/zinc/22/56/01/230225601.db2.gz INSKZWLVFBBDCB-DOTOQJQBSA-N 1 3 305.466 2.247 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000422837917 230236670 /nfs/dbraw/zinc/23/66/70/230236670.db2.gz VSOVTAMNZAXCNS-QGZVFWFLSA-N 1 3 303.450 2.386 20 0 DEADHO Cc1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])c(N2CCOCC2)c1 ZINC000422869638 230252139 /nfs/dbraw/zinc/25/21/39/230252139.db2.gz WMXVHVOACISHJQ-SJLPKXTDSA-N 1 3 317.477 2.439 20 0 DEADHO COc1cc(OC)c(CCN[C@H]2CC[NH2+]CC[C@H]2C)c(OC)c1 ZINC000422885498 230259089 /nfs/dbraw/zinc/25/90/89/230259089.db2.gz GUYCQJGHJCJPKY-CJNGLKHVSA-N 1 3 322.449 2.233 20 0 DEADHO COc1cc(OC)c(CC[NH2+][C@H]2CCNCC[C@H]2C)c(OC)c1 ZINC000422885498 230259096 /nfs/dbraw/zinc/25/90/96/230259096.db2.gz GUYCQJGHJCJPKY-CJNGLKHVSA-N 1 3 322.449 2.233 20 0 DEADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000423010409 230316173 /nfs/dbraw/zinc/31/61/73/230316173.db2.gz GEWZBZISUJMEDU-OKZBNKHCSA-N 1 3 315.461 2.142 20 0 DEADHO Cc1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1S(C)(=O)=O ZINC000423072059 230337520 /nfs/dbraw/zinc/33/75/20/230337520.db2.gz GPAVKLPTYJOBNE-GJZGRUSLSA-N 1 3 310.463 2.006 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2CN)cc1S(C)(=O)=O ZINC000423072059 230337523 /nfs/dbraw/zinc/33/75/23/230337523.db2.gz GPAVKLPTYJOBNE-GJZGRUSLSA-N 1 3 310.463 2.006 20 0 DEADHO C[C@H](O)[C@@](C)(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000423068411 230337621 /nfs/dbraw/zinc/33/76/21/230337621.db2.gz BSWBSFXCWJCFER-KEVQOFRZSA-N 1 3 302.462 2.489 20 0 DEADHO OC[C@]1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1c1ccc(F)cc1 ZINC000423076342 230339191 /nfs/dbraw/zinc/33/91/91/230339191.db2.gz RBHMKCBNIRJYDZ-ZFHLEULCSA-N 1 3 304.409 2.164 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CC2(N3CCSCC3)CCCC2)CCN1C ZINC000153806727 424860579 /nfs/dbraw/zinc/86/05/79/424860579.db2.gz ABRCFZGXRBRJGH-HOTGVXAUSA-N 1 3 311.539 2.420 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@H](CN2CCCC2)c2ccccc2)CC[N@@H+]1C ZINC000648726434 424898924 /nfs/dbraw/zinc/89/89/24/424898924.db2.gz PAISGGDXRWWUBI-KBAYOESNSA-N 1 3 315.461 2.280 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@H](CN2CCCC2)c2ccccc2)CC[N@H+]1C ZINC000648726434 424898926 /nfs/dbraw/zinc/89/89/26/424898926.db2.gz PAISGGDXRWWUBI-KBAYOESNSA-N 1 3 315.461 2.280 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000648746960 424902035 /nfs/dbraw/zinc/90/20/35/424902035.db2.gz WHEFDSPRJBRZSY-CIRFHOKZSA-N 1 3 315.461 2.278 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000648746960 424902036 /nfs/dbraw/zinc/90/20/36/424902036.db2.gz WHEFDSPRJBRZSY-CIRFHOKZSA-N 1 3 315.461 2.278 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CNCCC1(F)F)CC(C)C ZINC000649285323 424982968 /nfs/dbraw/zinc/98/29/68/424982968.db2.gz JRHUVEOMYPUBTD-ZIAGYGMSSA-N 1 3 319.440 2.104 20 0 DEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CNCCC1(F)F ZINC000649310504 424991574 /nfs/dbraw/zinc/99/15/74/424991574.db2.gz OOYBSNCMDWTDNG-UONOGXRCSA-N 1 3 317.424 2.002 20 0 DEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CNCCC1(F)F ZINC000649310504 424991577 /nfs/dbraw/zinc/99/15/77/424991577.db2.gz OOYBSNCMDWTDNG-UONOGXRCSA-N 1 3 317.424 2.002 20 0 DEADHO CN(C(=O)[C@@H]1[NH2+]CC1(C)C)C1CCN(Cc2ccccc2)CC1 ZINC000649322941 424991983 /nfs/dbraw/zinc/99/19/83/424991983.db2.gz XNKAARHRHYSROB-KRWDZBQOSA-N 1 3 315.461 2.107 20 0 DEADHO CC(C)(C)c1n[nH]cc1CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650706626 425039207 /nfs/dbraw/zinc/03/92/07/425039207.db2.gz OLYUTWQVZDJMNN-IMJJTQAJSA-N 1 3 320.481 2.426 20 0 DEADHO [NH3+]C[C@]12CCC[C@H]1CN(Cc1ccccc1N1CCOCC1)C2 ZINC000650709300 425039233 /nfs/dbraw/zinc/03/92/33/425039233.db2.gz PWOXUAKUIJGORQ-HKUYNNGSSA-N 1 3 315.461 2.084 20 0 DEADHO NC[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1N1CCOCC1)C2 ZINC000650709300 425039237 /nfs/dbraw/zinc/03/92/37/425039237.db2.gz PWOXUAKUIJGORQ-HKUYNNGSSA-N 1 3 315.461 2.084 20 0 DEADHO NC[C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1N1CCOCC1)C2 ZINC000650709300 425039239 /nfs/dbraw/zinc/03/92/39/425039239.db2.gz PWOXUAKUIJGORQ-HKUYNNGSSA-N 1 3 315.461 2.084 20 0 DEADHO CC(C)(C)n1cc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cn1 ZINC000650721890 425042316 /nfs/dbraw/zinc/04/23/16/425042316.db2.gz FHMQDPBGPGZYLL-BRWVUGGUSA-N 1 3 320.481 2.499 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)NCc1ccc(C[NH3+])cc1F ZINC000650755985 425049426 /nfs/dbraw/zinc/04/94/26/425049426.db2.gz RDKPCCCTNDOBOV-NSHDSACASA-N 1 3 302.397 2.297 20 0 DEADHO CC(=O)NCCCN(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000649603667 425050192 /nfs/dbraw/zinc/05/01/92/425050192.db2.gz ZNBDFHWWQUYKJL-MRXNPFEDSA-N 1 3 323.506 2.336 20 0 DEADHO CC(=O)NCCCN(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000649603667 425050195 /nfs/dbraw/zinc/05/01/95/425050195.db2.gz ZNBDFHWWQUYKJL-MRXNPFEDSA-N 1 3 323.506 2.336 20 0 DEADHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(C)CCN1CCCCC1 ZINC000650857431 425068294 /nfs/dbraw/zinc/06/82/94/425068294.db2.gz YGCHAOMIWBKXOI-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@]3(CC3(F)F)C2)CC1 ZINC000649908409 425099993 /nfs/dbraw/zinc/09/99/93/425099993.db2.gz NNXARSMSVFSUFZ-HNNXBMFYSA-N 1 3 301.425 2.134 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CC[C@]3(CC3(F)F)C2)CC1 ZINC000649908409 425099995 /nfs/dbraw/zinc/09/99/95/425099995.db2.gz NNXARSMSVFSUFZ-HNNXBMFYSA-N 1 3 301.425 2.134 20 0 DEADHO CCN1CCN(CCCC[NH2+]Cc2cc3cnccc3o2)CC1 ZINC000651676667 425143245 /nfs/dbraw/zinc/14/32/45/425143245.db2.gz IKTFOTALXHPOBG-UHFFFAOYSA-N 1 3 316.449 2.335 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000663482529 425168518 /nfs/dbraw/zinc/16/85/18/425168518.db2.gz UUKRPCYSTVNOHN-HOTGVXAUSA-N 1 3 310.486 2.034 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000663482529 425168524 /nfs/dbraw/zinc/16/85/24/425168524.db2.gz UUKRPCYSTVNOHN-HOTGVXAUSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000666760918 425177392 /nfs/dbraw/zinc/17/73/92/425177392.db2.gz JBJZDQSATZVQKA-MRXNPFEDSA-N 1 3 324.513 2.090 20 0 DEADHO CN(C)c1ncc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)s1 ZINC000656785526 425188602 /nfs/dbraw/zinc/18/86/02/425188602.db2.gz LLFACKNXFCPISL-AWEZNQCLSA-N 1 3 308.495 2.421 20 0 DEADHO COc1ccc(OCC[N@@H+]2CCC[C@]3(CCN(C)C3)C2)cc1 ZINC000660655346 425192480 /nfs/dbraw/zinc/19/24/80/425192480.db2.gz MLKPHPKBBRGNLT-GOSISDBHSA-N 1 3 304.434 2.492 20 0 DEADHO COc1ccc(OCC[N@H+]2CCC[C@]3(CCN(C)C3)C2)cc1 ZINC000660655346 425192484 /nfs/dbraw/zinc/19/24/84/425192484.db2.gz MLKPHPKBBRGNLT-GOSISDBHSA-N 1 3 304.434 2.492 20 0 DEADHO Cc1cccc(OC[C@H](O)C[N@H+]2CCC[C@@]3(CCN(C)C3)C2)c1 ZINC000660653970 425192978 /nfs/dbraw/zinc/19/29/78/425192978.db2.gz DXZJHNRDMKYJSO-MJGOQNOKSA-N 1 3 318.461 2.152 20 0 DEADHO Cc1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@]3(CCN(C)C3)C2)c1 ZINC000660653970 425192983 /nfs/dbraw/zinc/19/29/83/425192983.db2.gz DXZJHNRDMKYJSO-MJGOQNOKSA-N 1 3 318.461 2.152 20 0 DEADHO C[N@@H+]1CC[C@]2(C1)CCCN(C[C@@H](O)CCc1ccccc1)C2 ZINC000660665659 425199533 /nfs/dbraw/zinc/19/95/33/425199533.db2.gz WYUJFSWZUNTZFC-OALUTQOASA-N 1 3 302.462 2.398 20 0 DEADHO C[N@H+]1CC[C@]2(C1)CCCN(C[C@@H](O)CCc1ccccc1)C2 ZINC000660665659 425199537 /nfs/dbraw/zinc/19/95/37/425199537.db2.gz WYUJFSWZUNTZFC-OALUTQOASA-N 1 3 302.462 2.398 20 0 DEADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]Cc2cc3cnccc3o2)CC1 ZINC000651733472 425145170 /nfs/dbraw/zinc/14/51/70/425145170.db2.gz IKTLBTZPWUGYHX-IRXDYDNUSA-N 1 3 315.417 2.295 20 0 DEADHO C[C@@H](NCC1CC[NH+](C2CCOCC2)CC1)c1cnccn1 ZINC000656677770 425158289 /nfs/dbraw/zinc/15/82/89/425158289.db2.gz PNGXTPOXFFJATQ-CQSZACIVSA-N 1 3 304.438 2.018 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000660822946 425246227 /nfs/dbraw/zinc/24/62/27/425246227.db2.gz WSGXWRKRNWPXNE-MRXNPFEDSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CCN1C ZINC000660859174 425260346 /nfs/dbraw/zinc/26/03/46/425260346.db2.gz WQAFVUNRCCPFIE-OAGGEKHMSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CCN1C ZINC000660859174 425260347 /nfs/dbraw/zinc/26/03/47/425260347.db2.gz WQAFVUNRCCPFIE-OAGGEKHMSA-N 1 3 322.497 2.175 20 0 DEADHO CC(C)[NH+](CCNC(=O)N[C@H]1CCCN2CCCC[C@@H]12)C(C)C ZINC000654347791 425330841 /nfs/dbraw/zinc/33/08/41/425330841.db2.gz LLSGLYNQUBMHKK-IRXDYDNUSA-N 1 3 324.513 2.421 20 0 DEADHO C[NH+](C)CCOc1ccc(CN2CCC[C@@H]3COC[C@@H]32)cc1 ZINC000657209096 425279997 /nfs/dbraw/zinc/27/99/97/425279997.db2.gz SFDCVODZTFVAMG-AEFFLSMTSA-N 1 3 304.434 2.238 20 0 DEADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C[C@@H]3CCCNC3=O)CC2)C1 ZINC000657283082 425292102 /nfs/dbraw/zinc/29/21/02/425292102.db2.gz LSTWXSHQKUQLJL-HLLBOEOZSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@@H](CNCc1ccnn1-c1ccncc1)C[NH+]1CCCCC1 ZINC000657317198 425302286 /nfs/dbraw/zinc/30/22/86/425302286.db2.gz ULXHMMLVEOVXJP-INIZCTEOSA-N 1 3 313.449 2.479 20 0 DEADHO CN(C)CCC[N@H+](C)CCNc1ccnc(-c2ccccc2)n1 ZINC000664247966 425344203 /nfs/dbraw/zinc/34/42/03/425344203.db2.gz VEGGQKCFQXJXKZ-UHFFFAOYSA-N 1 3 313.449 2.439 20 0 DEADHO CN(C)CCC[N@@H+](C)CCNc1ccnc(-c2ccccc2)n1 ZINC000664247966 425344207 /nfs/dbraw/zinc/34/42/07/425344207.db2.gz VEGGQKCFQXJXKZ-UHFFFAOYSA-N 1 3 313.449 2.439 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2COC3(CCC3)C2)[C@H](C)C1 ZINC000657883939 425412475 /nfs/dbraw/zinc/41/24/75/425412475.db2.gz HMXKJPLJWAEQRB-IKGGRYGDSA-N 1 3 310.482 2.425 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2COC3(CCC3)C2)[C@H](C)C1 ZINC000657883939 425412477 /nfs/dbraw/zinc/41/24/77/425412477.db2.gz HMXKJPLJWAEQRB-IKGGRYGDSA-N 1 3 310.482 2.425 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCCn3nccc32)[C@@H](C)C1 ZINC000657884152 425412858 /nfs/dbraw/zinc/41/28/58/425412858.db2.gz LEFXUZKLQFMNTL-YESZJQIVSA-N 1 3 320.481 2.445 20 0 DEADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cnc(C(C)(C)C)nc1 ZINC000657573812 425368270 /nfs/dbraw/zinc/36/82/70/425368270.db2.gz VVIOEVJFCBRGLL-HNNXBMFYSA-N 1 3 321.513 2.136 20 0 DEADHO C[C@@H]([NH2+][C@H](CO)C1CCC1)c1ccc(OCCN(C)C)cc1 ZINC000658088447 425437993 /nfs/dbraw/zinc/43/79/93/425437993.db2.gz RYEYQMDEZKKWOI-RDTXWAMCSA-N 1 3 306.450 2.439 20 0 DEADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@@H]3CC(=O)N(C)C3)CC2)C1 ZINC000658244755 425460128 /nfs/dbraw/zinc/46/01/28/425460128.db2.gz UEDFNVNOKKPXNI-VYDXJSESSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](CCNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C)[NH+](C)C ZINC000664868070 425469026 /nfs/dbraw/zinc/46/90/26/425469026.db2.gz VTTNRTOHCYCPEU-HLLBOEOZSA-N 1 3 320.481 2.317 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000664888042 425473784 /nfs/dbraw/zinc/47/37/84/425473784.db2.gz DUYJUKAFVUGFIN-GJZGRUSLSA-N 1 3 310.486 2.033 20 0 DEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000664888042 425473787 /nfs/dbraw/zinc/47/37/87/425473787.db2.gz DUYJUKAFVUGFIN-GJZGRUSLSA-N 1 3 310.486 2.033 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000177546118 267559870 /nfs/dbraw/zinc/55/98/70/267559870.db2.gz KFGLMBWILZSYBU-IYBDPMFKSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](C[C@@H]1CCCCCN1)[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000665235611 425526047 /nfs/dbraw/zinc/52/60/47/425526047.db2.gz XGHIIBSRTBXOHQ-CABCVRRESA-N 1 3 316.511 2.102 20 0 DEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCC1(CS(C)(=O)=O)CC1 ZINC000665235611 425526049 /nfs/dbraw/zinc/52/60/49/425526049.db2.gz XGHIIBSRTBXOHQ-CABCVRRESA-N 1 3 316.511 2.102 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCc1nsc2ccccc12 ZINC000665276484 425533559 /nfs/dbraw/zinc/53/35/59/425533559.db2.gz DNGYUUHPQBKFTK-UBHSHLNASA-N 1 3 305.447 2.181 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCc1nsc2ccccc12 ZINC000665276484 425533562 /nfs/dbraw/zinc/53/35/62/425533562.db2.gz DNGYUUHPQBKFTK-UBHSHLNASA-N 1 3 305.447 2.181 20 0 DEADHO Cc1cncc(CCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000665274264 425534737 /nfs/dbraw/zinc/53/47/37/425534737.db2.gz MNMAHZHZJCTNMC-IEBWSBKVSA-N 1 3 324.428 2.173 20 0 DEADHO COc1ccc(C[C@@H](C)[NH2+]CC23CC(C2)CN3)c(C)c1OC ZINC000665279691 425534760 /nfs/dbraw/zinc/53/47/60/425534760.db2.gz JUTAJDKVRUHROK-LVIIFESRSA-N 1 3 304.434 2.285 20 0 DEADHO N[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(COC[C@H]2CCCO2)c1 ZINC000665294213 425540186 /nfs/dbraw/zinc/54/01/86/425540186.db2.gz KJNAMLOIKXZHTA-KZNAEPCWSA-N 1 3 304.434 2.352 20 0 DEADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)C1C[NH+](C2CCCCC2)C1 ZINC000655349917 425540425 /nfs/dbraw/zinc/54/04/25/425540425.db2.gz MKVGBLDRUZTDHO-QZTJIDSGSA-N 1 3 319.493 2.384 20 0 DEADHO CCN(C(=O)NCCCCC[NH+]1CCCC1)[C@@H]1CCN(CC)C1 ZINC000664964934 425486795 /nfs/dbraw/zinc/48/67/95/425486795.db2.gz JKXXGQPQVUOFGT-QGZVFWFLSA-N 1 3 324.513 2.378 20 0 DEADHO CCN(C(=O)[C@H](C)[NH2+]C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000655445724 425568736 /nfs/dbraw/zinc/56/87/36/425568736.db2.gz KCTJIKQWPCWDFB-ZMSDIMECSA-N 1 3 303.450 2.278 20 0 DEADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655449211 425569856 /nfs/dbraw/zinc/56/98/56/425569856.db2.gz PKHWQNGBCZGMPQ-CRAIPNDOSA-N 1 3 301.434 2.385 20 0 DEADHO [NH3+][C@@H]1CCc2ncc(NC(=O)C[C@H]3NCc4ccccc43)cc2C1 ZINC000659302252 425571542 /nfs/dbraw/zinc/57/15/42/425571542.db2.gz OIWJMFGUYATNHM-RDTXWAMCSA-N 1 3 322.412 2.071 20 0 DEADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000659315870 425575060 /nfs/dbraw/zinc/57/50/60/425575060.db2.gz WHVFMPXXMWGJQU-CGTJXYLNSA-N 1 3 313.445 2.164 20 0 DEADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000659315870 425575062 /nfs/dbraw/zinc/57/50/62/425575062.db2.gz WHVFMPXXMWGJQU-CGTJXYLNSA-N 1 3 313.445 2.164 20 0 DEADHO Cc1cc(CN(C)C)cc(NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)c1 ZINC000655469974 425575145 /nfs/dbraw/zinc/57/51/45/425575145.db2.gz GFKQYEWOELGKIJ-WMZOPIPTSA-N 1 3 301.434 2.385 20 0 DEADHO CCc1ccc(CC[NH+]2CCC(N3CC[C@@H](O)C3)CC2)cc1 ZINC000662154255 425576611 /nfs/dbraw/zinc/57/66/11/425576611.db2.gz GMIMOIUADIFFTJ-LJQANCHMSA-N 1 3 302.462 2.323 20 0 DEADHO CN[C@@H](C)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000655486461 425580032 /nfs/dbraw/zinc/58/00/32/425580032.db2.gz VHFMQNNWAKUOGU-ZDUSSCGKSA-N 1 3 307.463 2.421 20 0 DEADHO c1ccc(COC2CC[NH+](C[C@H]3CCC4(CNC4)O3)CC2)cc1 ZINC000662249024 425599523 /nfs/dbraw/zinc/59/95/23/425599523.db2.gz NKPVFMILTZOBJB-GOSISDBHSA-N 1 3 316.445 2.189 20 0 DEADHO CCN(Cc1ccc(OC)c(OC)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249321 425601438 /nfs/dbraw/zinc/60/14/38/425601438.db2.gz TTZMEOYSIWPKDR-HNNXBMFYSA-N 1 3 320.433 2.047 20 0 DEADHO Oc1ccc(C2CC[NH+](C[C@@H]3CCC4(CNC4)O3)CC2)cc1 ZINC000662249477 425602052 /nfs/dbraw/zinc/60/20/52/425602052.db2.gz UUUDRGLQDVOGHT-KRWDZBQOSA-N 1 3 302.418 2.093 20 0 DEADHO COc1ccc(CCC[N@H+](C)C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662252449 425602180 /nfs/dbraw/zinc/60/21/80/425602180.db2.gz MDPAPTNYDPYPEO-KRWDZBQOSA-N 1 3 304.434 2.081 20 0 DEADHO COc1ccc(CCC[N@@H+](C)C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662252449 425602182 /nfs/dbraw/zinc/60/21/82/425602182.db2.gz MDPAPTNYDPYPEO-KRWDZBQOSA-N 1 3 304.434 2.081 20 0 DEADHO C[N@H+](CCCOc1ccc(F)cc1)C[C@@H]1CCC2(CNC2)O1 ZINC000662253947 425602307 /nfs/dbraw/zinc/60/23/07/425602307.db2.gz ZJZLASHMEXLOKB-INIZCTEOSA-N 1 3 308.397 2.047 20 0 DEADHO C[N@@H+](CCCOc1ccc(F)cc1)C[C@@H]1CCC2(CNC2)O1 ZINC000662253947 425602309 /nfs/dbraw/zinc/60/23/09/425602309.db2.gz ZJZLASHMEXLOKB-INIZCTEOSA-N 1 3 308.397 2.047 20 0 DEADHO CC[N@H+](C[C@@H]1CCC2(CNC2)O1)[C@H](C)Cc1ccc(OC)cc1 ZINC000662249562 425602509 /nfs/dbraw/zinc/60/25/09/425602509.db2.gz XBUOKKSBLJKQCJ-QAPCUYQASA-N 1 3 318.461 2.469 20 0 DEADHO CC[N@@H+](C[C@@H]1CCC2(CNC2)O1)[C@H](C)Cc1ccc(OC)cc1 ZINC000662249562 425602512 /nfs/dbraw/zinc/60/25/12/425602512.db2.gz XBUOKKSBLJKQCJ-QAPCUYQASA-N 1 3 318.461 2.469 20 0 DEADHO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662256348 425604158 /nfs/dbraw/zinc/60/41/58/425604158.db2.gz IKKKAFQYBNQEQC-NXHRZFHOSA-N 1 3 300.446 2.461 20 0 DEADHO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662256348 425604163 /nfs/dbraw/zinc/60/41/63/425604163.db2.gz IKKKAFQYBNQEQC-NXHRZFHOSA-N 1 3 300.446 2.461 20 0 DEADHO C[NH2+]C[C@@H](C)NC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000659456167 425607763 /nfs/dbraw/zinc/60/77/63/425607763.db2.gz IPJUPWYKVQOBQG-NVXWUHKLSA-N 1 3 318.465 2.121 20 0 DEADHO C[NH2+]C[C@H](C)NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000659456888 425607818 /nfs/dbraw/zinc/60/78/18/425607818.db2.gz SOGDNXQHYUQBLX-GJZGRUSLSA-N 1 3 318.465 2.119 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C[C@H]1NCc2ccccc21 ZINC000662404731 425643280 /nfs/dbraw/zinc/64/32/80/425643280.db2.gz UVMXCFIUCABJDO-RVKKMQEKSA-N 1 3 315.461 2.458 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C[C@H]1NCc2ccccc21 ZINC000662404731 425643281 /nfs/dbraw/zinc/64/32/81/425643281.db2.gz UVMXCFIUCABJDO-RVKKMQEKSA-N 1 3 315.461 2.458 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc3c(s2)CCNC3)C1 ZINC000662422263 425647330 /nfs/dbraw/zinc/64/73/30/425647330.db2.gz SSWHYOUGACNXMI-ZDUSSCGKSA-N 1 3 321.490 2.244 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cc3c(s2)CCNC3)C1 ZINC000662422263 425647337 /nfs/dbraw/zinc/64/73/37/425647337.db2.gz SSWHYOUGACNXMI-ZDUSSCGKSA-N 1 3 321.490 2.244 20 0 DEADHO CC[NH+](CC)[C@H]1CCN(C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662483665 425662323 /nfs/dbraw/zinc/66/23/23/425662323.db2.gz ACEOPLSOIPTTEE-DOTOQJQBSA-N 1 3 301.434 2.164 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662485298 425662966 /nfs/dbraw/zinc/66/29/66/425662966.db2.gz OZTFZAHCRSJDEJ-MAUKXSAKSA-N 1 3 315.461 2.411 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662485298 425662971 /nfs/dbraw/zinc/66/29/71/425662971.db2.gz OZTFZAHCRSJDEJ-MAUKXSAKSA-N 1 3 315.461 2.411 20 0 DEADHO CC[NH+](CC)CC1CCN(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000659843449 425665419 /nfs/dbraw/zinc/66/54/19/425665419.db2.gz VEHFHQZAJRPAEC-IRXDYDNUSA-N 1 3 311.514 2.149 20 0 DEADHO CC(C)[N@H+](C)CC1CCN([C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000659877101 425677713 /nfs/dbraw/zinc/67/77/13/425677713.db2.gz PTEFMPCKQNSDHN-FGTMMUONSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN([C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000659877101 425677717 /nfs/dbraw/zinc/67/77/17/425677717.db2.gz PTEFMPCKQNSDHN-FGTMMUONSA-N 1 3 321.509 2.486 20 0 DEADHO CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000662283492 425612726 /nfs/dbraw/zinc/61/27/26/425612726.db2.gz UECUEGJPCJANTL-WCQYABFASA-N 1 3 301.385 2.055 20 0 DEADHO CC[C@@H](CC(F)F)C[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000662283492 425612731 /nfs/dbraw/zinc/61/27/31/425612731.db2.gz UECUEGJPCJANTL-WCQYABFASA-N 1 3 301.385 2.055 20 0 DEADHO COc1ccc([C@@H](CN)C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)cc1 ZINC000662303285 425619555 /nfs/dbraw/zinc/61/95/55/425619555.db2.gz UXOFHTXDTOSXEV-RYQLBKOJSA-N 1 3 304.434 2.096 20 0 DEADHO COc1ccc([C@@H](CN)C[N@@H+]2C[C@]3(C)COC[C@]3(C)C2)cc1 ZINC000662303285 425619559 /nfs/dbraw/zinc/61/95/59/425619559.db2.gz UXOFHTXDTOSXEV-RYQLBKOJSA-N 1 3 304.434 2.096 20 0 DEADHO COc1ccc([C@@H](C[NH3+])CN2C[C@]3(C)COC[C@]3(C)C2)cc1 ZINC000662303285 425619561 /nfs/dbraw/zinc/61/95/61/425619561.db2.gz UXOFHTXDTOSXEV-RYQLBKOJSA-N 1 3 304.434 2.096 20 0 DEADHO CC(C)NC(=O)[C@@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000662316688 425621906 /nfs/dbraw/zinc/62/19/06/425621906.db2.gz LXBCLFGJJIJMML-QGZVFWFLSA-N 1 3 315.461 2.069 20 0 DEADHO C[C@H]1CCCCN1CCC[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000655682804 425627511 /nfs/dbraw/zinc/62/75/11/425627511.db2.gz KLEVVMWFADSGJZ-FUHWJXTLSA-N 1 3 309.498 2.094 20 0 DEADHO C[NH+](C)C1(CNC(=O)C[C@@H]2NCc3ccccc32)CCCC1 ZINC000662384106 425638627 /nfs/dbraw/zinc/63/86/27/425638627.db2.gz JFXHJOHUFYBGBU-INIZCTEOSA-N 1 3 301.434 2.212 20 0 DEADHO CC[C@H]1CC[C@H](C)N1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665761078 425640846 /nfs/dbraw/zinc/64/08/46/425640846.db2.gz WIYNISPEYJIPFR-JYJNAYRXSA-N 1 3 312.502 2.231 20 0 DEADHO CC[C@H]1CC[C@H](C)N1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665761078 425640849 /nfs/dbraw/zinc/64/08/49/425640849.db2.gz WIYNISPEYJIPFR-JYJNAYRXSA-N 1 3 312.502 2.231 20 0 DEADHO CC[C@H]1CC[C@@H](C)N1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665761079 425641503 /nfs/dbraw/zinc/64/15/03/425641503.db2.gz WIYNISPEYJIPFR-XHSDSOJGSA-N 1 3 312.502 2.231 20 0 DEADHO CC[C@H]1CC[C@@H](C)N1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665761079 425641505 /nfs/dbraw/zinc/64/15/05/425641505.db2.gz WIYNISPEYJIPFR-XHSDSOJGSA-N 1 3 312.502 2.231 20 0 DEADHO [NH3+]C1(CC(=O)N2CCCN(CCCc3ccccc3)CC2)CC1 ZINC000662787969 425735937 /nfs/dbraw/zinc/73/59/37/425735937.db2.gz DLWIAPKWVKTANV-UHFFFAOYSA-N 1 3 315.461 2.035 20 0 DEADHO CN(CC(C)(C)[NH3+])C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000662609575 425693021 /nfs/dbraw/zinc/69/30/21/425693021.db2.gz YRSZIQOHMADRGS-UHFFFAOYSA-N 1 3 303.450 2.094 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@H](N)c1ccccc1 ZINC000662622746 425696694 /nfs/dbraw/zinc/69/66/94/425696694.db2.gz TWRZQXYGMJFENX-IMJJTQAJSA-N 1 3 303.450 2.312 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)[C@H](N)c1ccccc1 ZINC000662622746 425696697 /nfs/dbraw/zinc/69/66/97/425696697.db2.gz TWRZQXYGMJFENX-IMJJTQAJSA-N 1 3 303.450 2.312 20 0 DEADHO O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1cc2c(s1)CC[NH2+]C2 ZINC000662836444 425744018 /nfs/dbraw/zinc/74/40/18/425744018.db2.gz ZPGDVHRWNCHZES-KBPBESRZSA-N 1 3 319.474 2.141 20 0 DEADHO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2c(s1)CCNC2 ZINC000662836444 425744020 /nfs/dbraw/zinc/74/40/20/425744020.db2.gz ZPGDVHRWNCHZES-KBPBESRZSA-N 1 3 319.474 2.141 20 0 DEADHO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc2c(s1)CCNC2 ZINC000662836444 425744022 /nfs/dbraw/zinc/74/40/22/425744022.db2.gz ZPGDVHRWNCHZES-KBPBESRZSA-N 1 3 319.474 2.141 20 0 DEADHO CC(C)[NH+]1CCC(N(C)C(=O)c2cc3c(s2)CCNC3)CC1 ZINC000662673599 425709065 /nfs/dbraw/zinc/70/90/65/425709065.db2.gz OJFKQECWPZDECI-UHFFFAOYSA-N 1 3 321.490 2.339 20 0 DEADHO C[NH+](C)CCOc1ccc(NC(=O)C2(N)CC3(CCC3)C2)cc1 ZINC000662673721 425709705 /nfs/dbraw/zinc/70/97/05/425709705.db2.gz PMQSFCWEGDPMON-UHFFFAOYSA-N 1 3 317.433 2.227 20 0 DEADHO C[C@H]1C[C@H](C)C[NH+](CCN2CCN(c3ccncc3)CC2)C1 ZINC000660002777 425711153 /nfs/dbraw/zinc/71/11/53/425711153.db2.gz AIEQDHNVHOBNJZ-IRXDYDNUSA-N 1 3 302.466 2.182 20 0 DEADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000662694868 425714007 /nfs/dbraw/zinc/71/40/07/425714007.db2.gz UWYJBTKZBSQPDZ-PBHICJAKSA-N 1 3 321.440 2.105 20 0 DEADHO C[C@@H](NC(=O)C[C@H]1NCc2ccccc21)C1CC[NH+](C)CC1 ZINC000662703971 425717796 /nfs/dbraw/zinc/71/77/96/425717796.db2.gz QEYZYCCTSBFBSC-CXAGYDPISA-N 1 3 301.434 2.068 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000656537848 425787852 /nfs/dbraw/zinc/78/78/52/425787852.db2.gz QLNCFEOLUSOUMJ-CABCVRRESA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000656537848 425787856 /nfs/dbraw/zinc/78/78/56/425787856.db2.gz QLNCFEOLUSOUMJ-CABCVRRESA-N 1 3 310.486 2.033 20 0 DEADHO CCN(C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCN(C)C1 ZINC000666658726 425797023 /nfs/dbraw/zinc/79/70/23/425797023.db2.gz LJTPVGCQLMOKIP-WBVHZDCISA-N 1 3 322.497 2.129 20 0 DEADHO CCN(C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCN(C)C1 ZINC000666658726 425797025 /nfs/dbraw/zinc/79/70/25/425797025.db2.gz LJTPVGCQLMOKIP-WBVHZDCISA-N 1 3 322.497 2.129 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662843839 425747919 /nfs/dbraw/zinc/74/79/19/425747919.db2.gz VQQFYISYVISJSL-SJORKVTESA-N 1 3 307.482 2.099 20 0 DEADHO COc1cc2nccc(N[C@@H]3CC[NH2+][C@H](C)C3)c2cc1OC ZINC000663239655 425820863 /nfs/dbraw/zinc/82/08/63/425820863.db2.gz OPQPIXXXSXRZSF-VXGBXAGGSA-N 1 3 301.390 2.226 20 0 DEADHO [NH3+]C[C@H]1CCC[C@H]1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000261769192 268619792 /nfs/dbraw/zinc/61/97/92/268619792.db2.gz OGFPTCJCLAIICX-SJLPKXTDSA-N 1 3 315.461 2.142 20 0 DEADHO C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCC(O)(C[NH3+])CC1 ZINC000396962929 269104427 /nfs/dbraw/zinc/10/44/27/269104427.db2.gz DEAHMWWIUIMWKF-NSHDSACASA-N 1 3 318.339 2.432 20 0 DEADHO C[C@@H]1COCC[C@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397507396 269106803 /nfs/dbraw/zinc/10/68/03/269106803.db2.gz JXDGTDZNXZMAPG-SJLPKXTDSA-N 1 3 318.461 2.028 20 0 DEADHO C[C@@H](CCNC(=O)[C@H](N)C1CCC1)[N@H+](C)Cc1ccccc1 ZINC000398979704 269110334 /nfs/dbraw/zinc/11/03/34/269110334.db2.gz DOGMWRNDZLQRMS-WMLDXEAASA-N 1 3 303.450 2.141 20 0 DEADHO C[C@@H](CCNC(=O)[C@H](N)C1CCC1)[N@@H+](C)Cc1ccccc1 ZINC000398979704 269110336 /nfs/dbraw/zinc/11/03/36/269110336.db2.gz DOGMWRNDZLQRMS-WMLDXEAASA-N 1 3 303.450 2.141 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000423143459 269115511 /nfs/dbraw/zinc/11/55/11/269115511.db2.gz DDXGKZXANNLWGM-SJKOYZFVSA-N 1 3 317.408 2.242 20 0 DEADHO CNC[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496405286 269216978 /nfs/dbraw/zinc/21/69/78/269216978.db2.gz YJQSSBGDKLATMV-JKSUJKDBSA-N 1 3 319.449 2.485 20 0 DEADHO CC(C)COC(=O)N1CCC([NH2+][C@@H](C)[C@@H]2CCCNC2)CC1 ZINC000497208429 269294361 /nfs/dbraw/zinc/29/43/61/269294361.db2.gz KFDWFHQEIFXYNB-LSDHHAIUSA-N 1 3 311.470 2.221 20 0 DEADHO CCOC[C@H](O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499249990 269303952 /nfs/dbraw/zinc/30/39/52/269303952.db2.gz LADYKAQZOJBDAM-FCGDIQPGSA-N 1 3 318.461 2.169 20 0 DEADHO CCOC[C@H](O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499249990 269303953 /nfs/dbraw/zinc/30/39/53/269303953.db2.gz LADYKAQZOJBDAM-FCGDIQPGSA-N 1 3 318.461 2.169 20 0 DEADHO C[N@H+](C[C@H](O)CNCCc1ccc(F)cc1Cl)C1CC1 ZINC000515235264 269347733 /nfs/dbraw/zinc/34/77/33/269347733.db2.gz ZGGGXPYZBDGTNW-CQSZACIVSA-N 1 3 300.805 2.066 20 0 DEADHO C[N@@H+](C[C@H](O)CNCCc1ccc(F)cc1Cl)C1CC1 ZINC000515235264 269347734 /nfs/dbraw/zinc/34/77/34/269347734.db2.gz ZGGGXPYZBDGTNW-CQSZACIVSA-N 1 3 300.805 2.066 20 0 DEADHO C[N@H+](C[C@@H](O)CNCCc1ccc(F)cc1Cl)C1CC1 ZINC000515235263 269347746 /nfs/dbraw/zinc/34/77/46/269347746.db2.gz ZGGGXPYZBDGTNW-AWEZNQCLSA-N 1 3 300.805 2.066 20 0 DEADHO C[N@@H+](C[C@@H](O)CNCCc1ccc(F)cc1Cl)C1CC1 ZINC000515235263 269347747 /nfs/dbraw/zinc/34/77/47/269347747.db2.gz ZGGGXPYZBDGTNW-AWEZNQCLSA-N 1 3 300.805 2.066 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001423372685 1173311752 /nfs/dbraw/zinc/31/17/52/1173311752.db2.gz CYDLWPNICKJHPJ-SJLPKXTDSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C)C[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001423372685 1173311758 /nfs/dbraw/zinc/31/17/58/1173311758.db2.gz CYDLWPNICKJHPJ-SJLPKXTDSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H]1NCCc2ccccc21 ZINC000423414175 274503453 /nfs/dbraw/zinc/50/34/53/274503453.db2.gz BTXGWIQZXMKDJD-CWFSZBLJSA-N 1 3 309.457 2.422 20 0 DEADHO CC(C)(C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)[C@H](N)c1ccccc1 ZINC000332305546 275809173 /nfs/dbraw/zinc/80/91/73/275809173.db2.gz GQMMRRGZWVNREU-LUKYLMHMSA-N 1 3 315.461 2.298 20 0 DEADHO CCC[C@H](N)C(=O)N1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000365001002 276042488 /nfs/dbraw/zinc/04/24/88/276042488.db2.gz JRSIADPVDRALJP-OKZBNKHCSA-N 1 3 317.477 2.313 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000439972317 276160918 /nfs/dbraw/zinc/16/09/18/276160918.db2.gz NSPNUMOTPHCLLV-IRXDYDNUSA-N 1 3 307.482 2.384 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000439972317 276160921 /nfs/dbraw/zinc/16/09/21/276160921.db2.gz NSPNUMOTPHCLLV-IRXDYDNUSA-N 1 3 307.482 2.384 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H](N)c2ccccc2)C1 ZINC000246754536 276247840 /nfs/dbraw/zinc/24/78/40/276247840.db2.gz XSRNIFHVDQCRDO-NVXWUHKLSA-N 1 3 303.450 2.267 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@@H](N)c2ccccc2)C1 ZINC000246754536 276247841 /nfs/dbraw/zinc/24/78/41/276247841.db2.gz XSRNIFHVDQCRDO-NVXWUHKLSA-N 1 3 303.450 2.267 20 0 DEADHO CCN1CCC([N@@H+]2CCCN(C[C@H]3CCC(C)(C)O3)CC2)CC1 ZINC000420984344 276358908 /nfs/dbraw/zinc/35/89/08/276358908.db2.gz SNNMFSSYDMOWQB-GOSISDBHSA-N 1 3 323.525 2.436 20 0 DEADHO CCN1CCC([N@H+]2CCCN(C[C@H]3CCC(C)(C)O3)CC2)CC1 ZINC000420984344 276358910 /nfs/dbraw/zinc/35/89/10/276358910.db2.gz SNNMFSSYDMOWQB-GOSISDBHSA-N 1 3 323.525 2.436 20 0 DEADHO CCN1CCC(NC(=O)C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)CC1 ZINC000360199616 276359482 /nfs/dbraw/zinc/35/94/82/276359482.db2.gz MVXXRJRYEHMTJC-UAGQMJEPSA-N 1 3 307.482 2.097 20 0 DEADHO CCN1CCC(NC(=O)C[N@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)CC1 ZINC000360199616 276359483 /nfs/dbraw/zinc/35/94/83/276359483.db2.gz MVXXRJRYEHMTJC-UAGQMJEPSA-N 1 3 307.482 2.097 20 0 DEADHO CC[NH+]1CCC(NC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)CC1 ZINC000429420897 276360164 /nfs/dbraw/zinc/36/01/64/276360164.db2.gz WUZUQXPIVDSUGA-ZWKOTPCHSA-N 1 3 306.425 2.366 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)CNC3)[C@H](C)C1 ZINC000347660608 276398802 /nfs/dbraw/zinc/39/88/02/276398802.db2.gz ZWBOSUFVHWFFJM-DYVFJYSZSA-N 1 3 301.434 2.092 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)CNC3)[C@H](C)C1 ZINC000347660608 276398804 /nfs/dbraw/zinc/39/88/04/276398804.db2.gz ZWBOSUFVHWFFJM-DYVFJYSZSA-N 1 3 301.434 2.092 20 0 DEADHO CN1CCN(CC[NH2+]C[C@H]2CCOc3ccccc32)CC1(C)C ZINC000376740958 277106207 /nfs/dbraw/zinc/10/62/07/277106207.db2.gz AUFMKUGOZKDIJQ-MRXNPFEDSA-N 1 3 317.477 2.168 20 0 DEADHO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453242249 277249336 /nfs/dbraw/zinc/24/93/36/277249336.db2.gz PXIZWSFGSISKOD-OWLYRPNTSA-N 1 3 315.461 2.154 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(C)CC[C@H]2C)C1 ZINC000448468682 277390933 /nfs/dbraw/zinc/39/09/33/277390933.db2.gz VYWOLRKKJXVOKN-SJORKVTESA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCN(C)CC[C@H]2C)C1 ZINC000448468682 277390934 /nfs/dbraw/zinc/39/09/34/277390934.db2.gz VYWOLRKKJXVOKN-SJORKVTESA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)N1CCN(C2CC[NH+](CC[C@@H]3CCCO3)CC2)CC1 ZINC000346498925 277609053 /nfs/dbraw/zinc/60/90/53/277609053.db2.gz NQUFPPFMVJLWIR-SFHVURJKSA-N 1 3 309.498 2.046 20 0 DEADHO CC(C)N1CCN(CCC[NH2+][C@@H]2CCC[C@H]2OC(F)F)CC1 ZINC000348521483 277610707 /nfs/dbraw/zinc/61/07/07/277610707.db2.gz QGAMLJVMNYWFRK-HUUCEWRRSA-N 1 3 319.440 2.152 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](C)N2CCCC[C@H]2C)C1 ZINC000362349643 279034767 /nfs/dbraw/zinc/03/47/67/279034767.db2.gz WEAKJNGZGATNEU-IKGGRYGDSA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](C)N2CCCC[C@H]2C)C1 ZINC000362349643 279034768 /nfs/dbraw/zinc/03/47/68/279034768.db2.gz WEAKJNGZGATNEU-IKGGRYGDSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)C[C@H](CN(C)C)NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000417084355 279127534 /nfs/dbraw/zinc/12/75/34/279127534.db2.gz ACRZMXOAMVWWQA-CABCVRRESA-N 1 3 312.502 2.040 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@H](C)[C@H](C)[NH3+])c1cccc(OC)c1 ZINC000249092721 279164204 /nfs/dbraw/zinc/16/42/04/279164204.db2.gz SXQMFESFWLJEGI-JKIFEVAISA-N 1 3 321.465 2.178 20 0 DEADHO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000361104539 279168566 /nfs/dbraw/zinc/16/85/66/279168566.db2.gz FJHSCLKHVBNQMF-RHSMWYFYSA-N 1 3 303.406 2.015 20 0 DEADHO CC(C)C[C@H](N)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000236655508 279175361 /nfs/dbraw/zinc/17/53/61/279175361.db2.gz NBQRLFIMICRZIC-IRXDYDNUSA-N 1 3 309.498 2.474 20 0 DEADHO CC(C)N(C(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)C1CCCC1 ZINC000420330612 279279156 /nfs/dbraw/zinc/27/91/56/279279156.db2.gz QFOAQGMOKITETE-DLBZAZTESA-N 1 3 321.509 2.488 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000348822276 279281508 /nfs/dbraw/zinc/28/15/08/279281508.db2.gz YWECIRHBBPFURW-KRWDZBQOSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000438910247 288121629 /nfs/dbraw/zinc/12/16/29/288121629.db2.gz GQJGUFUZTNMUNQ-JLSDUUJJSA-N 1 3 319.493 2.382 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000438910247 288121630 /nfs/dbraw/zinc/12/16/30/288121630.db2.gz GQJGUFUZTNMUNQ-JLSDUUJJSA-N 1 3 319.493 2.382 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccccc1C ZINC000346631591 279303033 /nfs/dbraw/zinc/30/30/33/279303033.db2.gz YQKNWRKSZNEUDP-QGZVFWFLSA-N 1 3 317.477 2.483 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccccc1C ZINC000346631591 279303034 /nfs/dbraw/zinc/30/30/34/279303034.db2.gz YQKNWRKSZNEUDP-QGZVFWFLSA-N 1 3 317.477 2.483 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000340940367 279311016 /nfs/dbraw/zinc/31/10/16/279311016.db2.gz RCXZRUCQLGTKJQ-ARFHVFGLSA-N 1 3 310.486 2.033 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000340940367 279311018 /nfs/dbraw/zinc/31/10/18/279311018.db2.gz RCXZRUCQLGTKJQ-ARFHVFGLSA-N 1 3 310.486 2.033 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000440175260 279333908 /nfs/dbraw/zinc/33/39/08/279333908.db2.gz BIUKUMJYONVEGK-IRXDYDNUSA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000440175260 279333910 /nfs/dbraw/zinc/33/39/10/279333910.db2.gz BIUKUMJYONVEGK-IRXDYDNUSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000438910254 288131540 /nfs/dbraw/zinc/13/15/40/288131540.db2.gz GQJGUFUZTNMUNQ-ZTFGCOKTSA-N 1 3 319.493 2.382 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000438910254 288131542 /nfs/dbraw/zinc/13/15/42/288131542.db2.gz GQJGUFUZTNMUNQ-ZTFGCOKTSA-N 1 3 319.493 2.382 20 0 DEADHO CC[C@@H](C)N[C@@H](CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+])c1ccco1 ZINC000424471980 280112130 /nfs/dbraw/zinc/11/21/30/280112130.db2.gz DSGLICWLTVVDEV-TUVASFSCSA-N 1 3 322.453 2.278 20 0 DEADHO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CCN2CCCCC2)C[C@@H](C)O1 ZINC000246164063 288204407 /nfs/dbraw/zinc/20/44/07/288204407.db2.gz OIQXTEKMCDXGIM-KZNAEPCWSA-N 1 3 309.498 2.046 20 0 DEADHO C[C@@H]1CN(C[C@H]2CCC[N@H+]2CCN2CCCCC2)C[C@@H](C)O1 ZINC000246164063 288204411 /nfs/dbraw/zinc/20/44/11/288204411.db2.gz OIQXTEKMCDXGIM-KZNAEPCWSA-N 1 3 309.498 2.046 20 0 DEADHO CC(C)[C@H](CNC(=O)N[C@H](C)CN1CCCCC1)[NH+]1CCCC1 ZINC000105129701 280247834 /nfs/dbraw/zinc/24/78/34/280247834.db2.gz GCZAPQGGCROLKL-SJORKVTESA-N 1 3 324.513 2.280 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H]1CCC[NH2+]C1)c1ccco1 ZINC000418163722 280749758 /nfs/dbraw/zinc/74/97/58/280749758.db2.gz HONYFNSIMPYCHE-KKUMJFAQSA-N 1 3 322.453 2.008 20 0 DEADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000423762963 288355577 /nfs/dbraw/zinc/35/55/77/288355577.db2.gz QQALNMNLOCWTCJ-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CN(C)CC1(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCC1 ZINC000367174114 282076953 /nfs/dbraw/zinc/07/69/53/282076953.db2.gz PGUGSUDNXCPMQR-OAHLLOKOSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C)CC1(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCC1 ZINC000367174114 282076954 /nfs/dbraw/zinc/07/69/54/282076954.db2.gz PGUGSUDNXCPMQR-OAHLLOKOSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C)C(=O)[C@@H](c1ccccc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357070303 288993386 /nfs/dbraw/zinc/99/33/86/288993386.db2.gz GDOIYQLHDKKWTI-QZTJIDSGSA-N 1 3 315.461 2.137 20 0 DEADHO CN1CC[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC000355806947 289081715 /nfs/dbraw/zinc/08/17/15/289081715.db2.gz GQSUWPBMWZJPGB-HZPDHXFCSA-N 1 3 307.482 2.051 20 0 DEADHO CN(CC[NH+](C)C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000176152968 289128276 /nfs/dbraw/zinc/12/82/76/289128276.db2.gz JGOYRMQDWIPXGF-CQSZACIVSA-N 1 3 324.494 2.088 20 0 DEADHO CN(C)Cc1cccc(CNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000417076673 289225371 /nfs/dbraw/zinc/22/53/71/289225371.db2.gz WNKKYFSQHVCTPD-DLBZAZTESA-N 1 3 318.465 2.065 20 0 DEADHO CN(C)[C@@H]1CCC[N@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420901695 289296862 /nfs/dbraw/zinc/29/68/62/289296862.db2.gz KRWSZIFEPPGKJT-LJQANCHMSA-N 1 3 317.477 2.045 20 0 DEADHO CN(C)[C@@H]1CCC[N@@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420901695 289296863 /nfs/dbraw/zinc/29/68/63/289296863.db2.gz KRWSZIFEPPGKJT-LJQANCHMSA-N 1 3 317.477 2.045 20 0 DEADHO C[C@H](C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C)N1CCCCCC1 ZINC000342445000 289311212 /nfs/dbraw/zinc/31/12/12/289311212.db2.gz RCIIBYRYJCFXGB-BBWFWOEESA-N 1 3 307.482 2.336 20 0 DEADHO C[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)N1CCc2sccc2C1 ZINC000422713537 289699232 /nfs/dbraw/zinc/69/92/32/289699232.db2.gz KAEPWQGKJFYOPM-FMKPAKJESA-N 1 3 307.507 2.472 20 0 DEADHO O=C(CC1CC[NH2+]CC1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000238139401 295468243 /nfs/dbraw/zinc/46/82/43/295468243.db2.gz WRHYVESDKAZLEI-GOSISDBHSA-N 1 3 315.461 2.329 20 0 DEADHO C[C@H](C(=O)NCCN1CCCC(C)(C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000444624075 298154226 /nfs/dbraw/zinc/15/42/26/298154226.db2.gz VROCBFYDVSFXJP-OWCLPIDISA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H](C(=O)NCCN1CCCC(C)(C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000444624075 298154227 /nfs/dbraw/zinc/15/42/27/298154227.db2.gz VROCBFYDVSFXJP-OWCLPIDISA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H](CNC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+])N1CCC(C)CC1 ZINC000417317844 298702502 /nfs/dbraw/zinc/70/25/02/298702502.db2.gz XMVKEWUKUASDAV-OWCLPIDISA-N 1 3 310.486 2.018 20 0 DEADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@@H](C)C[NH+](C)C)N(C)C ZINC000357288690 302201515 /nfs/dbraw/zinc/20/15/15/302201515.db2.gz SYRYVECVFQLVAG-UXLLHSPISA-N 1 3 320.481 2.236 20 0 DEADHO O=C(C[C@@H]1CCC[NH2+]1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000165042231 303642323 /nfs/dbraw/zinc/64/23/23/303642323.db2.gz NBWZIJJIEVNLAY-DLBZAZTESA-N 1 3 301.434 2.082 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)CC[N@@H+]1CC1CC1 ZINC001424546205 1173825745 /nfs/dbraw/zinc/82/57/45/1173825745.db2.gz GRVQJKOTDOPTAB-GDBMZVCRSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)CC[N@H+]1CC1CC1 ZINC001424546205 1173825749 /nfs/dbraw/zinc/82/57/49/1173825749.db2.gz GRVQJKOTDOPTAB-GDBMZVCRSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](NC(=O)Nc1cccc2c1CCNC2)C(C)(C)C[NH+](C)C ZINC000573071717 326018203 /nfs/dbraw/zinc/01/82/03/326018203.db2.gz KTDWDHXNQFWVBK-ZDUSSCGKSA-N 1 3 318.465 2.430 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H](CO)Cc2cc(F)c(F)c(F)c2)C1 ZINC000573933745 326107141 /nfs/dbraw/zinc/10/71/41/326107141.db2.gz IQHHOSKPXNOCHS-XQQFMLRXSA-N 1 3 316.367 2.114 20 0 DEADHO CN(C[C@@H](O)CNc1cccc(CC[NH+]2CCCC2)c1)C1CC1 ZINC000574513263 326161360 /nfs/dbraw/zinc/16/13/60/326161360.db2.gz JOOVWHPUQHUKJM-IBGZPJMESA-N 1 3 317.477 2.192 20 0 DEADHO CCO[C@@H]1C[C@H]1NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000576814143 326321051 /nfs/dbraw/zinc/32/10/51/326321051.db2.gz YPCIELQQLSFCHN-IEBWSBKVSA-N 1 3 317.477 2.484 20 0 DEADHO [NH3+][C@H]1CCC[C@@H](NCCOc2cccc(C(F)(F)F)n2)C1 ZINC000580095294 332938713 /nfs/dbraw/zinc/93/87/13/332938713.db2.gz OWIJFMRRFLXFET-WDEREUQCSA-N 1 3 303.328 2.339 20 0 DEADHO C[C@H](C(=O)N(C)CC1CC[NH+](C)CC1)[C@H](N)c1ccccc1 ZINC000388040557 333197670 /nfs/dbraw/zinc/19/76/70/333197670.db2.gz MUKGVVCQNOXGCE-YOEHRIQHSA-N 1 3 303.450 2.123 20 0 DEADHO CC(C)NCC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000582074101 333200597 /nfs/dbraw/zinc/20/05/97/333200597.db2.gz AIIKHYUHWDYNAO-AEFFLSMTSA-N 1 3 317.477 2.401 20 0 DEADHO CC(C)NCC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000582074101 333200598 /nfs/dbraw/zinc/20/05/98/333200598.db2.gz AIIKHYUHWDYNAO-AEFFLSMTSA-N 1 3 317.477 2.401 20 0 DEADHO CC[C@H](F)C[NH2+][C@H](CNC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001376237454 1159268514 /nfs/dbraw/zinc/26/85/14/1159268514.db2.gz DZKMAMVZNBHHKX-LSDHHAIUSA-N 1 3 313.461 2.093 20 0 DEADHO O=C(CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)Nc1ccccn1 ZINC000584404620 337319841 /nfs/dbraw/zinc/31/98/41/337319841.db2.gz BVEDKIJYKPLIPI-BZUAXINKSA-N 1 3 316.449 2.311 20 0 DEADHO CCCN(CC[NH+](CC)CC)C(=O)C1CCN(C2CC2)CC1 ZINC000192833783 341890473 /nfs/dbraw/zinc/89/04/73/341890473.db2.gz KPBDGQHZIHXNBG-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001376953206 1159854928 /nfs/dbraw/zinc/85/49/28/1159854928.db2.gz GWPXBLRQHFILDQ-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](CC)C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001377316893 1160204651 /nfs/dbraw/zinc/20/46/51/1160204651.db2.gz RQBAXXQTSDVRDR-ZIAGYGMSSA-N 1 3 319.440 2.200 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](CC)C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001377316893 1160204674 /nfs/dbraw/zinc/20/46/74/1160204674.db2.gz RQBAXXQTSDVRDR-ZIAGYGMSSA-N 1 3 319.440 2.200 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CC[C@H](C)F)N(C)C ZINC001368820431 1148689992 /nfs/dbraw/zinc/68/99/92/1148689992.db2.gz JJZDLPUORKKABA-JYJNAYRXSA-N 1 3 315.477 2.388 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)CC[C@H](C)F)N(C)C ZINC001368820431 1148689999 /nfs/dbraw/zinc/68/99/99/1148689999.db2.gz JJZDLPUORKKABA-JYJNAYRXSA-N 1 3 315.477 2.388 20 0 DEADHO C[C@H](NC1CCN(C(=O)c2ccoc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422823244 533809947 /nfs/dbraw/zinc/80/99/47/533809947.db2.gz CWWUYHJUCDCHKS-BBRMVZONSA-N 1 3 305.422 2.004 20 0 DEADHO CC(C)N(C)CC(=O)N[C@](C)(C[NH2+]Cc1ccsc1)C1CC1 ZINC001401027323 1161862024 /nfs/dbraw/zinc/86/20/24/1161862024.db2.gz XYFVNOJIZDXFLA-QGZVFWFLSA-N 1 3 323.506 2.463 20 0 DEADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@H](C[NH3+])CC(C)C)o1 ZINC000418421945 533884385 /nfs/dbraw/zinc/88/43/85/533884385.db2.gz AFEQTFVDYQKOJK-HNNXBMFYSA-N 1 3 324.469 2.035 20 0 DEADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000423014270 534074573 /nfs/dbraw/zinc/07/45/73/534074573.db2.gz OOYSDDRYKMZTRL-BPQIPLTHSA-N 1 3 315.461 2.013 20 0 DEADHO COC(=O)c1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000422999439 534146368 /nfs/dbraw/zinc/14/63/68/534146368.db2.gz FBQPKWDJEKSLLH-DZGCQCFKSA-N 1 3 306.406 2.089 20 0 DEADHO COC(=O)c1cccc(OCCN2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000422625222 534280301 /nfs/dbraw/zinc/28/03/01/534280301.db2.gz AYQNAANDQOWOAN-FMKPAKJESA-N 1 3 320.433 2.157 20 0 DEADHO C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443056862 534292173 /nfs/dbraw/zinc/29/21/73/534292173.db2.gz DOMKZTFMFFDCQT-CABCVRRESA-N 1 3 321.440 2.233 20 0 DEADHO CC(C)N(C(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C)C2)C(C)C ZINC000339435288 519568985 /nfs/dbraw/zinc/56/89/85/519568985.db2.gz DNOSJMHBWFNJFN-AEFFLSMTSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)N(C(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C)C2)C(C)C ZINC000339435288 519568992 /nfs/dbraw/zinc/56/89/92/519568992.db2.gz DNOSJMHBWFNJFN-AEFFLSMTSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)NCCN2CCC(C)CC2)CC1 ZINC000337328366 519720241 /nfs/dbraw/zinc/72/02/41/519720241.db2.gz DUYABDFFBAMQMP-UHFFFAOYSA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)C[C@@H](CN(C)C)NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106534889 519775364 /nfs/dbraw/zinc/77/53/64/519775364.db2.gz HSKYDSUASHHATM-HOTGVXAUSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)C[C@@H](CN(C)C)NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106534889 519775366 /nfs/dbraw/zinc/77/53/66/519775366.db2.gz HSKYDSUASHHATM-HOTGVXAUSA-N 1 3 324.513 2.279 20 0 DEADHO CCN(CCNC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)C1CC1 ZINC000338466919 521060690 /nfs/dbraw/zinc/06/06/90/521060690.db2.gz VUCOVORBOSMYAP-CRAIPNDOSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)(C)[C@H](C[NH3+])NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000423963373 526694998 /nfs/dbraw/zinc/69/49/98/526694998.db2.gz WAANZDHRSCWAMN-KRWDZBQOSA-N 1 3 317.477 2.388 20 0 DEADHO CC(C)(CC[NH3+])NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000422586054 527024398 /nfs/dbraw/zinc/02/43/98/527024398.db2.gz AXKYKAKYNAFOFN-INIZCTEOSA-N 1 3 318.465 2.250 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000418560382 527664890 /nfs/dbraw/zinc/66/48/90/527664890.db2.gz YVJZUIGIHDFYQR-GOSISDBHSA-N 1 3 324.513 2.140 20 0 DEADHO CCN1CCO[C@@H](CN[C@H](C)C[C@H](C)[NH3+])[C@@H]1c1ccccc1 ZINC000423100334 527731465 /nfs/dbraw/zinc/73/14/65/527731465.db2.gz GREFQMRWZQPTCI-MVJTYMMSSA-N 1 3 305.466 2.164 20 0 DEADHO CC(C)CN(CCN(C)C)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415934790 527940991 /nfs/dbraw/zinc/94/09/91/527940991.db2.gz IHZFGERYCWEGFU-UHFFFAOYSA-N 1 3 322.453 2.076 20 0 DEADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCCNCC2)cc1 ZINC000428455991 528001789 /nfs/dbraw/zinc/00/17/89/528001789.db2.gz FDOSEIJMORJCHY-UHFFFAOYSA-N 1 3 303.450 2.354 20 0 DEADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCCNCC2)cc1 ZINC000428455991 528001797 /nfs/dbraw/zinc/00/17/97/528001797.db2.gz FDOSEIJMORJCHY-UHFFFAOYSA-N 1 3 303.450 2.354 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000418454913 528082206 /nfs/dbraw/zinc/08/22/06/528082206.db2.gz ZWANWKQQNOOEGH-INIZCTEOSA-N 1 3 312.502 2.267 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418578795 528082975 /nfs/dbraw/zinc/08/29/75/528082975.db2.gz JKKVLNUBPDDVNP-HOTGVXAUSA-N 1 3 310.486 2.164 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)NCC[C@@H]2CC[NH2+]C2)cc1 ZINC000418340229 528131887 /nfs/dbraw/zinc/13/18/87/528131887.db2.gz CFHUGDDOEFUDHC-YOEHRIQHSA-N 1 3 318.465 2.109 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)NC2CCC([NH3+])CC2)cc1 ZINC000418350039 528132703 /nfs/dbraw/zinc/13/27/03/528132703.db2.gz KTHANHBMPSGHTI-JCYILVPMSA-N 1 3 318.465 2.379 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@H](C)CC[NH+](C)C)cc1 ZINC000417322416 528143197 /nfs/dbraw/zinc/14/31/97/528143197.db2.gz VTYSPBJFRRQKLQ-RHSMWYFYSA-N 1 3 320.481 2.449 20 0 DEADHO CCOC(=O)c1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)[nH]c1C ZINC000296593050 528170644 /nfs/dbraw/zinc/17/06/44/528170644.db2.gz XTPWMORBKWHICF-CYBMUJFWSA-N 1 3 305.422 2.074 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCC1([NH3+])CCC1 ZINC000418529991 528778838 /nfs/dbraw/zinc/77/88/38/528778838.db2.gz VCAKAXJYNMESDL-UHFFFAOYSA-N 1 3 318.465 2.161 20 0 DEADHO CCC([NH3+])(CC)CNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000418177966 528938704 /nfs/dbraw/zinc/93/87/04/528938704.db2.gz IBWOSCCXUDUQGN-GOEBONIOSA-N 1 3 320.481 2.495 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000447962965 528997062 /nfs/dbraw/zinc/99/70/62/528997062.db2.gz CAJVDFUQSLWKQM-MRXNPFEDSA-N 1 3 324.513 2.279 20 0 DEADHO CCN1CCN(Cc2ccc(N[C@@H](C)C[C@H](C)[NH3+])cc2)CC1 ZINC000422916264 529149498 /nfs/dbraw/zinc/14/94/98/529149498.db2.gz DCYLSDUSLCBUPY-HOTGVXAUSA-N 1 3 304.482 2.362 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C)[NH+](C)C ZINC000294601013 529284293 /nfs/dbraw/zinc/28/42/93/529284293.db2.gz XMQJQFWTSVBVEY-JKSUJKDBSA-N 1 3 323.506 2.468 20 0 DEADHO CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@H](C)C[C@H]2COCCN2)C1 ZINC000422907909 529298122 /nfs/dbraw/zinc/29/81/22/529298122.db2.gz LTJSBMJJUYUCPA-ZACQAIPSSA-N 1 3 311.514 2.244 20 0 DEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H](C)C[C@H]2COCCN2)C1 ZINC000422907909 529298124 /nfs/dbraw/zinc/29/81/24/529298124.db2.gz LTJSBMJJUYUCPA-ZACQAIPSSA-N 1 3 311.514 2.244 20 0 DEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@H](C)C[C@H]2COCCN2)C1 ZINC000422907909 529298125 /nfs/dbraw/zinc/29/81/25/529298125.db2.gz LTJSBMJJUYUCPA-ZACQAIPSSA-N 1 3 311.514 2.244 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H](CN)c2ccc(F)cc2)C1 ZINC000358860562 535174111 /nfs/dbraw/zinc/17/41/11/535174111.db2.gz DWNUPVCFAOULEW-PBHICJAKSA-N 1 3 321.440 2.105 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H](CN)c2ccc(F)cc2)C1 ZINC000358860562 535174115 /nfs/dbraw/zinc/17/41/15/535174115.db2.gz DWNUPVCFAOULEW-PBHICJAKSA-N 1 3 321.440 2.105 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)CC1 ZINC000375350339 535198545 /nfs/dbraw/zinc/19/85/45/535198545.db2.gz VHRZYGPLSJBFGV-QZTJIDSGSA-N 1 3 309.498 2.046 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]2[C@H]2CCCO2)CC1 ZINC000375350339 535198548 /nfs/dbraw/zinc/19/85/48/535198548.db2.gz VHRZYGPLSJBFGV-QZTJIDSGSA-N 1 3 309.498 2.046 20 0 DEADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCNC(=O)CC1 ZINC000450758075 535577934 /nfs/dbraw/zinc/57/79/34/535577934.db2.gz NLRKNNIDPFHTPS-IKGGRYGDSA-N 1 3 309.498 2.393 20 0 DEADHO CCN(C(=O)CC[NH2+]C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000262380516 535661098 /nfs/dbraw/zinc/66/10/98/535661098.db2.gz MVIFLYBIMQNZNL-RDJZCZTQSA-N 1 3 303.450 2.280 20 0 DEADHO CCN1CCN(CCC[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348264336 535698154 /nfs/dbraw/zinc/69/81/54/535698154.db2.gz UNKYZJFKGDDDQI-RBUKOAKNSA-N 1 3 301.478 2.407 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000355814265 536023486 /nfs/dbraw/zinc/02/34/86/536023486.db2.gz TVIOROLMYDHCOY-GOSISDBHSA-N 1 3 315.461 2.449 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000456684334 536041332 /nfs/dbraw/zinc/04/13/32/536041332.db2.gz OHCUSNFPHPYLIH-UHFFFAOYSA-N 1 3 315.461 2.495 20 0 DEADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000449118240 536351617 /nfs/dbraw/zinc/35/16/17/536351617.db2.gz XDYXQMHRMDIGKT-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO COc1cccc2c(CNC[C@]3(O)CC[N@H+](C)C3)cccc12 ZINC000449245030 536932474 /nfs/dbraw/zinc/93/24/74/536932474.db2.gz XWDBQZDZDUJTTG-GOSISDBHSA-N 1 3 300.402 2.005 20 0 DEADHO COc1cccc2c(CNC[C@]3(O)CC[N@@H+](C)C3)cccc12 ZINC000449245030 536932477 /nfs/dbraw/zinc/93/24/77/536932477.db2.gz XWDBQZDZDUJTTG-GOSISDBHSA-N 1 3 300.402 2.005 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCCN2C)cc1F ZINC001379109299 1152570626 /nfs/dbraw/zinc/57/06/26/1152570626.db2.gz TWLGYGIOPUWIHL-WMLDXEAASA-N 1 3 321.440 2.165 20 0 DEADHO CCC[NH2+][C@H](C)CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001379211215 1152590823 /nfs/dbraw/zinc/59/08/23/1152590823.db2.gz BSBICRADJXMUAG-CJNGLKHVSA-N 1 3 301.450 2.045 20 0 DEADHO CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000821189752 606658767 /nfs/dbraw/zinc/65/87/67/606658767.db2.gz SDKGZJYEFNHLLD-AWEZNQCLSA-N 1 3 316.453 2.467 20 0 DEADHO CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000821189752 606658768 /nfs/dbraw/zinc/65/87/68/606658768.db2.gz SDKGZJYEFNHLLD-AWEZNQCLSA-N 1 3 316.453 2.467 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)[C@@H](C)CC[NH+](C)C ZINC001362036762 1152807975 /nfs/dbraw/zinc/80/79/75/1152807975.db2.gz ZWRRJJZMXKDGJY-ZDUSSCGKSA-N 1 3 307.438 2.283 20 0 DEADHO CC(C)[C@H](C(=O)N1CCN(C)C(C)(C)CC1)[NH+]1CCCCC1 ZINC001363172727 1153253369 /nfs/dbraw/zinc/25/33/69/1153253369.db2.gz NWDYAUVMJCNTOS-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CCNC(=O)c1ccc(CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925545799 625306777 /nfs/dbraw/zinc/30/67/77/625306777.db2.gz CHGPJPDGLSHMTR-CVEARBPZSA-N 1 3 303.450 2.432 20 0 DEADHO CC1CC(C[N@H+](C)[C@H]2CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000972613420 625355835 /nfs/dbraw/zinc/35/58/35/625355835.db2.gz WBROMFODFZXTLE-ABHNRTSZSA-N 1 3 321.509 2.297 20 0 DEADHO CC1CC(C[N@@H+](C)[C@H]2CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000972613420 625355840 /nfs/dbraw/zinc/35/58/40/625355840.db2.gz WBROMFODFZXTLE-ABHNRTSZSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]12 ZINC001026360622 625353947 /nfs/dbraw/zinc/35/39/47/625353947.db2.gz LTYGVBJULRGWOA-IXDOHACOSA-N 1 3 321.509 2.201 20 0 DEADHO C[C@H]1CCCN1CC(=O)NC1CCC([NH2+]CC2CCC2)CC1 ZINC001026560687 625523433 /nfs/dbraw/zinc/52/34/33/625523433.db2.gz BNFGACCZLLXGCF-OOHWJJMZSA-N 1 3 307.482 2.288 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1CCC([NH2+]CCC2CC2)CC1 ZINC001026598864 625554567 /nfs/dbraw/zinc/55/45/67/625554567.db2.gz YNDIYIWCJNOWDS-UHFFFAOYSA-N 1 3 304.438 2.078 20 0 DEADHO CC(C)C[C@@H](N)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309756692 625557956 /nfs/dbraw/zinc/55/79/56/625557956.db2.gz CDTCBKIYYKSLMA-KBAYOESNSA-N 1 3 317.477 2.387 20 0 DEADHO CC(C)C[C@@H](N)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309756692 625557960 /nfs/dbraw/zinc/55/79/60/625557960.db2.gz CDTCBKIYYKSLMA-KBAYOESNSA-N 1 3 317.477 2.387 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000925662872 625568841 /nfs/dbraw/zinc/56/88/41/625568841.db2.gz OBKQMHLLYJXCTG-QGPPMGRFSA-N 1 3 323.481 2.220 20 0 DEADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)c1ccccc1 ZINC000969588097 622831449 /nfs/dbraw/zinc/83/14/49/622831449.db2.gz BBWPLZCIEGLTLI-USXIJHARSA-N 1 3 301.434 2.032 20 0 DEADHO CC(C)=CCN1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000969650643 622866017 /nfs/dbraw/zinc/86/60/17/622866017.db2.gz SSBGIXDCDVNPIP-NVXWUHKLSA-N 1 3 307.482 2.262 20 0 DEADHO CC(C)=CCN1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000969650643 622866020 /nfs/dbraw/zinc/86/60/20/622866020.db2.gz SSBGIXDCDVNPIP-NVXWUHKLSA-N 1 3 307.482 2.262 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001020588516 622926908 /nfs/dbraw/zinc/92/69/08/622926908.db2.gz DJGZDWBQZRISHN-DJIMGWMZSA-N 1 3 305.466 2.065 20 0 DEADHO CC(C)C[NH2+][C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000969963248 623026436 /nfs/dbraw/zinc/02/64/36/623026436.db2.gz WZERTRXIMOSHPT-RHSMWYFYSA-N 1 3 313.461 2.045 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)cc2C)C1)N(C)C ZINC000969985371 623038126 /nfs/dbraw/zinc/03/81/26/623038126.db2.gz FOZCSYRSEWKQGK-SJORKVTESA-N 1 3 321.440 2.165 20 0 DEADHO CC(C)C[NH2+][C@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001021090908 623336429 /nfs/dbraw/zinc/33/64/29/623336429.db2.gz NROBCEKZFYHCSI-QAQDUYKDSA-N 1 3 303.450 2.255 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001024156399 625641321 /nfs/dbraw/zinc/64/13/21/625641321.db2.gz MTKKUWMYAWQBRB-SJLPKXTDSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C1CN(CCCF)C1 ZINC000970593417 623564187 /nfs/dbraw/zinc/56/41/87/623564187.db2.gz LOAKGSUTRGDWSR-AWEZNQCLSA-N 1 3 321.440 2.158 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](C)F ZINC001021447974 623635288 /nfs/dbraw/zinc/63/52/88/623635288.db2.gz HFTBECJATBVNRV-PRTUASRFSA-N 1 3 322.428 2.120 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](C)F ZINC001021447974 623635291 /nfs/dbraw/zinc/63/52/91/623635291.db2.gz HFTBECJATBVNRV-PRTUASRFSA-N 1 3 322.428 2.120 20 0 DEADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)c(C)c1 ZINC000970716463 623638988 /nfs/dbraw/zinc/63/89/88/623638988.db2.gz FTOYLTYPCDYMEH-GOSISDBHSA-N 1 3 315.461 2.090 20 0 DEADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1)c1ccsc1 ZINC000891349415 624047124 /nfs/dbraw/zinc/04/71/24/624047124.db2.gz VBXORYHSLLHYAG-VHDGCEQUSA-N 1 3 324.494 2.168 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC2CC3(CCC3)C2)C1 ZINC000971202596 624068556 /nfs/dbraw/zinc/06/85/56/624068556.db2.gz ZCTNTAHJHBLVIT-SJORKVTESA-N 1 3 319.493 2.194 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC2CC3(CCC3)C2)C1 ZINC000971202596 624068558 /nfs/dbraw/zinc/06/85/58/624068558.db2.gz ZCTNTAHJHBLVIT-SJORKVTESA-N 1 3 319.493 2.194 20 0 DEADHO C[C@H]1C[C@@H](NCCN(C(=O)OC(C)(C)C)C2CC2)CC[N@@H+]1C ZINC000160912727 624153291 /nfs/dbraw/zinc/15/32/91/624153291.db2.gz LNKKHWLLJCAXIU-KBPBESRZSA-N 1 3 311.470 2.458 20 0 DEADHO C[C@H]1C[C@@H](NCCN(C(=O)OC(C)(C)C)C2CC2)CC[N@H+]1C ZINC000160912727 624153293 /nfs/dbraw/zinc/15/32/93/624153293.db2.gz LNKKHWLLJCAXIU-KBPBESRZSA-N 1 3 311.470 2.458 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1 ZINC001022070285 624191133 /nfs/dbraw/zinc/19/11/33/624191133.db2.gz USOSMCTVXXFABQ-IXDOHACOSA-N 1 3 307.482 2.286 20 0 DEADHO CC(C)N1CCN(CCC[NH2+]C2([C@@H]3CCCCO3)CC2)CC1 ZINC000933374799 624195678 /nfs/dbraw/zinc/19/56/78/624195678.db2.gz DCGLLBNGNCDLAM-KRWDZBQOSA-N 1 3 309.498 2.094 20 0 DEADHO C[NH+]1CCC(CN2CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000891589468 624485502 /nfs/dbraw/zinc/48/55/02/624485502.db2.gz PKJHJZQSKPZCGR-UHFFFAOYSA-N 1 3 305.441 2.285 20 0 DEADHO C[C@H]1C[C@H](NC(=O)NCCC(C)(C)[NH3+])CN1Cc1ccccc1 ZINC000891674053 624525930 /nfs/dbraw/zinc/52/59/30/624525930.db2.gz VIMVDAKYCMJOOI-HOCLYGCPSA-N 1 3 318.465 2.076 20 0 DEADHO C[C@@H]([NH3+])[C@H](C)NC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000892144252 624795621 /nfs/dbraw/zinc/79/56/21/624795621.db2.gz SYOQBQGRBZGKCA-VYDXJSESSA-N 1 3 318.465 2.076 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC1)N(C)C ZINC001024992181 625128810 /nfs/dbraw/zinc/12/88/10/625128810.db2.gz NNCYUGUTHAUGQX-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001023024941 625138468 /nfs/dbraw/zinc/13/84/68/625138468.db2.gz NOMOHMBSLOHHRV-GASCZTMLSA-N 1 3 304.438 2.078 20 0 DEADHO CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001023126024 625163952 /nfs/dbraw/zinc/16/39/52/625163952.db2.gz FPFBAMYWZKNPQJ-IYBDPMFKSA-N 1 3 303.450 2.255 20 0 DEADHO Nc1cc(NC2CC[NH+](C[C@H]3CCOC3)CC2)c(Cl)cn1 ZINC000892600155 625182588 /nfs/dbraw/zinc/18/25/88/625182588.db2.gz DQBGPWGFIUMTCH-LLVKDONJSA-N 1 3 310.829 2.230 20 0 DEADHO CC(C)[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC1)N(C)C ZINC001025073612 625194126 /nfs/dbraw/zinc/19/41/26/625194126.db2.gz NNCYUGUTHAUGQX-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1nc(CN[C@H]2CCN(C3CC[NH+](C)CC3)C2)sc1C ZINC000892947887 625761969 /nfs/dbraw/zinc/76/19/69/625761969.db2.gz JSERBOHQWCAJDN-AWEZNQCLSA-N 1 3 308.495 2.018 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+]CC3CCCC3)C2)CCC1 ZINC000999348763 634568957 /nfs/dbraw/zinc/56/89/57/634568957.db2.gz PPHNTXWDCVJAJJ-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccsc2)C1)C1CC1 ZINC000999377636 634573346 /nfs/dbraw/zinc/57/33/46/634573346.db2.gz WPMHTGLNVQAJNN-HZPDHXFCSA-N 1 3 321.490 2.169 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N(C)C1CC([NH2+]Cc2ccccc2)C1 ZINC000999404285 634584643 /nfs/dbraw/zinc/58/46/43/634584643.db2.gz BTHZOQVOLLBRRU-FAEJEUNOSA-N 1 3 315.461 2.250 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)C2CC([NH2+]Cc3ccccc3)C2)C1 ZINC000999408991 634585810 /nfs/dbraw/zinc/58/58/10/634585810.db2.gz NUVSXQNSOKJXDF-ZLPCBKJTSA-N 1 3 315.461 2.107 20 0 DEADHO CC(C)(C(=O)N1C[C@H](NCCF)C(C)(C)C1)[NH+]1CCCCC1 ZINC000995826730 633124180 /nfs/dbraw/zinc/12/41/80/633124180.db2.gz ZAAYDVPXEJKBPY-AWEZNQCLSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2ccccc2)C(C)(C)C1)N(C)C ZINC000996315665 633234705 /nfs/dbraw/zinc/23/47/05/633234705.db2.gz RVCDXIHUZNAUEG-IRXDYDNUSA-N 1 3 317.477 2.353 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@H](C[NH2+]CC2CCCCC2)C1)C1CC1 ZINC001026888944 633242702 /nfs/dbraw/zinc/24/27/02/633242702.db2.gz POPLQCZGZVGHCO-AEFFLSMTSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)C1)N(C)C ZINC001026916109 633263109 /nfs/dbraw/zinc/26/31/09/633263109.db2.gz APEBGARHYUDVKS-IAGOWNOFSA-N 1 3 307.482 2.265 20 0 DEADHO CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974865904 633340223 /nfs/dbraw/zinc/34/02/23/633340223.db2.gz XSDODAZDNUDODS-HZPDHXFCSA-N 1 3 307.482 2.097 20 0 DEADHO CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974865904 633340226 /nfs/dbraw/zinc/34/02/26/633340226.db2.gz XSDODAZDNUDODS-HZPDHXFCSA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC([NH2+]CC2=CCCCC2)CC1)C1CC1 ZINC000996674852 633343287 /nfs/dbraw/zinc/34/32/87/633343287.db2.gz CZJRJDVZABUINK-SFHVURJKSA-N 1 3 319.493 2.408 20 0 DEADHO Cc1cc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)cs1 ZINC001027217575 633500161 /nfs/dbraw/zinc/50/01/61/633500161.db2.gz MCWCJPLRQGTGTB-HNNXBMFYSA-N 1 3 321.490 2.090 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CCC2)C1)C1CC1 ZINC001027444538 633796081 /nfs/dbraw/zinc/79/60/81/633796081.db2.gz SRGAIXVRVVOQTI-IRXDYDNUSA-N 1 3 307.482 2.050 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CCC2)C1)C1CC1 ZINC001027444538 633796083 /nfs/dbraw/zinc/79/60/83/633796083.db2.gz SRGAIXVRVVOQTI-IRXDYDNUSA-N 1 3 307.482 2.050 20 0 DEADHO CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027577393 634185771 /nfs/dbraw/zinc/18/57/71/634185771.db2.gz LESWNOWDIIZWMN-WMLDXEAASA-N 1 3 313.461 2.142 20 0 DEADHO CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027577393 634185772 /nfs/dbraw/zinc/18/57/72/634185772.db2.gz LESWNOWDIIZWMN-WMLDXEAASA-N 1 3 313.461 2.142 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC000978152728 634228050 /nfs/dbraw/zinc/22/80/50/634228050.db2.gz WFWXYZCKHJZSGM-FJIDUMEYSA-N 1 3 319.493 2.119 20 0 DEADHO CC(C)=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC000978152728 634228052 /nfs/dbraw/zinc/22/80/52/634228052.db2.gz WFWXYZCKHJZSGM-FJIDUMEYSA-N 1 3 319.493 2.119 20 0 DEADHO O=c1cc(CNC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc[nH]1 ZINC000921671654 634330358 /nfs/dbraw/zinc/33/03/58/634330358.db2.gz PXWYHGWLJCDJFV-GOSISDBHSA-N 1 3 311.429 2.441 20 0 DEADHO O=c1cc(CNC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc[nH]1 ZINC000921671654 634330365 /nfs/dbraw/zinc/33/03/65/634330365.db2.gz PXWYHGWLJCDJFV-GOSISDBHSA-N 1 3 311.429 2.441 20 0 DEADHO O=c1cc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cc[nH]1 ZINC000921671654 634330375 /nfs/dbraw/zinc/33/03/75/634330375.db2.gz PXWYHGWLJCDJFV-GOSISDBHSA-N 1 3 311.429 2.441 20 0 DEADHO CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C[C@H]2C1 ZINC000980173749 634879246 /nfs/dbraw/zinc/87/92/46/634879246.db2.gz SRYGNVAZJVUZRF-YESZJQIVSA-N 1 3 321.509 2.488 20 0 DEADHO CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C[C@H]2C1 ZINC000980173749 634879248 /nfs/dbraw/zinc/87/92/48/634879248.db2.gz SRYGNVAZJVUZRF-YESZJQIVSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](c1ccccc1)[N@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406463 634989424 /nfs/dbraw/zinc/98/94/24/634989424.db2.gz PGNIGXSZJUYAFC-AEFFLSMTSA-N 1 3 315.461 2.376 20 0 DEADHO C[C@H](c1ccccc1)[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406463 634989431 /nfs/dbraw/zinc/98/94/31/634989431.db2.gz PGNIGXSZJUYAFC-AEFFLSMTSA-N 1 3 315.461 2.376 20 0 DEADHO CN1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC(F)(F)F ZINC001027972367 635130452 /nfs/dbraw/zinc/13/04/52/635130452.db2.gz UEMYAYPCPIZWHF-CHWSQXEVSA-N 1 3 321.387 2.004 20 0 DEADHO CN1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC(F)(F)F ZINC001027972367 635130457 /nfs/dbraw/zinc/13/04/57/635130457.db2.gz UEMYAYPCPIZWHF-CHWSQXEVSA-N 1 3 321.387 2.004 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCN1CCC(F)(F)F ZINC001027972367 635130461 /nfs/dbraw/zinc/13/04/61/635130461.db2.gz UEMYAYPCPIZWHF-CHWSQXEVSA-N 1 3 321.387 2.004 20 0 DEADHO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCN1CCC(F)(F)F ZINC001027972367 635130465 /nfs/dbraw/zinc/13/04/65/635130465.db2.gz UEMYAYPCPIZWHF-CHWSQXEVSA-N 1 3 321.387 2.004 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC001000312252 635142327 /nfs/dbraw/zinc/14/23/27/635142327.db2.gz NSVSRQOCGKPENE-CRAIPNDOSA-N 1 3 324.428 2.220 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC(C)C ZINC001027985324 635167795 /nfs/dbraw/zinc/16/77/95/635167795.db2.gz GRNNYIONWOVVFF-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(C)C ZINC001027985324 635167797 /nfs/dbraw/zinc/16/77/97/635167797.db2.gz GRNNYIONWOVVFF-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000931767068 635359242 /nfs/dbraw/zinc/35/92/42/635359242.db2.gz BTYMUNWMHLNNJT-DLBZAZTESA-N 1 3 307.482 2.336 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CCC[C@H]([NH2+]CC2CC2)C1)N1CCCC1 ZINC000981269983 635413306 /nfs/dbraw/zinc/41/33/06/635413306.db2.gz FTROHCGRNVISBA-JKSUJKDBSA-N 1 3 307.482 2.288 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1=CC[N@@H+](C(C)C)CC1 ZINC001001230170 635432394 /nfs/dbraw/zinc/43/23/94/635432394.db2.gz SOTIWHHCAXEYSC-QGZVFWFLSA-N 1 3 307.482 2.406 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1=CC[N@H+](C(C)C)CC1 ZINC001001230170 635432398 /nfs/dbraw/zinc/43/23/98/635432398.db2.gz SOTIWHHCAXEYSC-QGZVFWFLSA-N 1 3 307.482 2.406 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)NCC2CCN(Cc3ccsc3)CC2)C1 ZINC001002122308 635624546 /nfs/dbraw/zinc/62/45/46/635624546.db2.gz BZKUALLMOZEFDQ-INIZCTEOSA-N 1 3 321.490 2.028 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)NCC2CCN(Cc3ccsc3)CC2)C1 ZINC001002122308 635624550 /nfs/dbraw/zinc/62/45/50/635624550.db2.gz BZKUALLMOZEFDQ-INIZCTEOSA-N 1 3 321.490 2.028 20 0 DEADHO OC1(C2(C[NH2+][C@H]3CCNC[C@H]3C3CCCC3)CC2)CCOCC1 ZINC000925826177 635746597 /nfs/dbraw/zinc/74/65/97/635746597.db2.gz LBGDJDMMPQSXIT-IRXDYDNUSA-N 1 3 322.493 2.066 20 0 DEADHO C[C@H](C(=O)N1CCC[N@H+](CC2CC2)CC1)N1CCCCCC1 ZINC000982083895 635855434 /nfs/dbraw/zinc/85/54/34/635855434.db2.gz DCZLZJGDTHLMHC-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@H](C(=O)N1CCC[N@@H+](CC2CC2)CC1)N1CCCCCC1 ZINC000982083895 635855437 /nfs/dbraw/zinc/85/54/37/635855437.db2.gz DCZLZJGDTHLMHC-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@@H](C(=O)N1CCC[N@H+](CC2CC2)CC1)N1CCCCCC1 ZINC000982083893 635855851 /nfs/dbraw/zinc/85/58/51/635855851.db2.gz DCZLZJGDTHLMHC-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@@H](C(=O)N1CCC[N@@H+](CC2CC2)CC1)N1CCCCCC1 ZINC000982083893 635855856 /nfs/dbraw/zinc/85/58/56/635855856.db2.gz DCZLZJGDTHLMHC-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000929263726 635870522 /nfs/dbraw/zinc/87/05/22/635870522.db2.gz OGHKQTFFZXZSDI-DLBZAZTESA-N 1 3 303.450 2.278 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000929263726 635870525 /nfs/dbraw/zinc/87/05/25/635870525.db2.gz OGHKQTFFZXZSDI-DLBZAZTESA-N 1 3 303.450 2.278 20 0 DEADHO O=c1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc[nH]1 ZINC000922243844 636028990 /nfs/dbraw/zinc/02/89/90/636028990.db2.gz NPLWQJPFHVFMBV-UHFFFAOYSA-N 1 3 312.417 2.184 20 0 DEADHO Cc1cc(CN[C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c(C)o1 ZINC000922388232 636142029 /nfs/dbraw/zinc/14/20/29/636142029.db2.gz NPGJCLIKOWFSQW-ZJPYXAASSA-N 1 3 306.450 2.466 20 0 DEADHO Cc1cc(CN[C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)c(C)o1 ZINC000922388232 636142032 /nfs/dbraw/zinc/14/20/32/636142032.db2.gz NPGJCLIKOWFSQW-ZJPYXAASSA-N 1 3 306.450 2.466 20 0 DEADHO COc1ccsc1CN[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922389470 636150503 /nfs/dbraw/zinc/15/05/03/636150503.db2.gz WFBZMIQWBZXUFC-OMNBBPDLSA-N 1 3 324.490 2.326 20 0 DEADHO COc1ccsc1CN[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922389470 636150508 /nfs/dbraw/zinc/15/05/08/636150508.db2.gz WFBZMIQWBZXUFC-OMNBBPDLSA-N 1 3 324.490 2.326 20 0 DEADHO Cc1cc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)sn1 ZINC000922391669 636153702 /nfs/dbraw/zinc/15/37/02/636153702.db2.gz XYASLAUIJUAEIM-WCVJEAGWSA-N 1 3 309.479 2.021 20 0 DEADHO Cc1cc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)sn1 ZINC000922391669 636153704 /nfs/dbraw/zinc/15/37/04/636153704.db2.gz XYASLAUIJUAEIM-WCVJEAGWSA-N 1 3 309.479 2.021 20 0 DEADHO CC(C)CC[NH+]1CCC(NC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001004205869 636229538 /nfs/dbraw/zinc/22/95/38/636229538.db2.gz FWKJPDDKMCVBBA-IYBDPMFKSA-N 1 3 309.498 2.486 20 0 DEADHO CCO[C@H](C[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1)CN(C)C ZINC000922758600 636381031 /nfs/dbraw/zinc/38/10/31/636381031.db2.gz XWGWJHFTBBIZDC-QXAKKESOSA-N 1 3 319.493 2.378 20 0 DEADHO COC(=O)N1CCC[C@H]([NH2+]C2CCN(CCC(C)C)CC2)C1 ZINC000924909228 636521687 /nfs/dbraw/zinc/52/16/87/636521687.db2.gz VZWTVFIRSRVQJX-INIZCTEOSA-N 1 3 311.470 2.317 20 0 DEADHO COC(=O)N1CCC[C@H](NC2CC[NH+](CCC(C)C)CC2)C1 ZINC000924909228 636521691 /nfs/dbraw/zinc/52/16/91/636521691.db2.gz VZWTVFIRSRVQJX-INIZCTEOSA-N 1 3 311.470 2.317 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946780113 636647547 /nfs/dbraw/zinc/64/75/47/636647547.db2.gz ZSCFEGGEMJBUMN-KURKYZTESA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946780113 636647550 /nfs/dbraw/zinc/64/75/50/636647550.db2.gz ZSCFEGGEMJBUMN-KURKYZTESA-N 1 3 321.509 2.441 20 0 DEADHO O[C@H]1C[C@H](NC2CC[NH+](C3CCCCC3)CC2)C12CCOCC2 ZINC000923020494 636914306 /nfs/dbraw/zinc/91/43/06/636914306.db2.gz MQLQTYZSIGYSEI-ROUUACIJSA-N 1 3 322.493 2.303 20 0 DEADHO O[C@H]1C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C12CCOCC2 ZINC000923020494 636914310 /nfs/dbraw/zinc/91/43/10/636914310.db2.gz MQLQTYZSIGYSEI-ROUUACIJSA-N 1 3 322.493 2.303 20 0 DEADHO C[C@](C[NH3+])(NC[C@@H](O)CO[C@@H]1CCCc2ccccc21)C1CC1 ZINC000923296187 637098215 /nfs/dbraw/zinc/09/82/15/637098215.db2.gz OPMYKTYHOZKXGA-BHIYHBOVSA-N 1 3 318.461 2.159 20 0 DEADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2Cc3ccccc3[C@H](c3ccccc3)C2)C1 ZINC000923300909 637100935 /nfs/dbraw/zinc/10/09/35/637100935.db2.gz LYYWWLKGPYLZQY-LEAZDLGRSA-N 1 3 308.425 2.485 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCN(C[C@H](O)COc2cccc3ccccc32)C1 ZINC000923330494 637113169 /nfs/dbraw/zinc/11/31/69/637113169.db2.gz GILJUMPVANYISA-XIRDDKMYSA-N 1 3 314.429 2.249 20 0 DEADHO CC(C)(C)[C@H](C[NH3+])NC[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000923366984 637138779 /nfs/dbraw/zinc/13/87/79/637138779.db2.gz CFKGFQZYVADYRK-NXHRZFHOSA-N 1 3 320.477 2.405 20 0 DEADHO [NH3+]C[C@H](NC[C@H](O)COc1ccc(F)cc1)C1CCCCC1 ZINC000923373761 637144376 /nfs/dbraw/zinc/14/43/76/637144376.db2.gz PPIQRAOFALUTBX-RDJZCZTQSA-N 1 3 310.413 2.063 20 0 DEADHO CCc1onc(C)c1CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000923380082 637147419 /nfs/dbraw/zinc/14/74/19/637147419.db2.gz UXSBPUZRVJXATO-RHSMWYFYSA-N 1 3 307.438 2.264 20 0 DEADHO Cc1ccccc1OC[C@H](O)CN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000923382936 637149630 /nfs/dbraw/zinc/14/96/30/637149630.db2.gz NMSCADRDWURBGS-WCXIOVBPSA-N 1 3 306.450 2.040 20 0 DEADHO COc1ccc([C@@H]2CCCN2C[C@H]2CC3(C[NH2+]C3)CO2)cc1F ZINC000923392486 637154072 /nfs/dbraw/zinc/15/40/72/637154072.db2.gz WTFAAHRNVCASFW-ZBFHGGJFSA-N 1 3 320.408 2.350 20 0 DEADHO CC(C)(C)[C@@]1(C[NH3+])CCN(C[C@@H](O)COc2ccccc2)C1 ZINC000923416772 637161755 /nfs/dbraw/zinc/16/17/55/637161755.db2.gz ZKLKPVPWCDHBBB-CRAIPNDOSA-N 1 3 306.450 2.123 20 0 DEADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC(Cc3ccccc3Cl)CC2)C1 ZINC000923413486 637167080 /nfs/dbraw/zinc/16/70/80/637167080.db2.gz GJXLKPKVOBGMQU-XIRDDKMYSA-N 1 3 308.853 2.445 20 0 DEADHO Cc1cc(F)ccc1N1CCC[C@H](N2CC[C@@H](CC[NH3+])C2)C1=O ZINC000923482117 637203381 /nfs/dbraw/zinc/20/33/81/637203381.db2.gz OXSDQPCPVGHVLH-PBHICJAKSA-N 1 3 319.424 2.300 20 0 DEADHO CCc1ccccc1NC(=O)[C@H](C)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923501274 637218507 /nfs/dbraw/zinc/21/85/07/637218507.db2.gz YYZYFTGMKNZCOU-IJEWVQPXSA-N 1 3 303.450 2.493 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CCC(C)C)[C@H](C)C1 ZINC000947980160 637236905 /nfs/dbraw/zinc/23/69/05/637236905.db2.gz OGVGCKONPMEGNF-HIFRSBDPSA-N 1 3 306.454 2.276 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CCC(C)C)[C@H](C)C1 ZINC000947980160 637236907 /nfs/dbraw/zinc/23/69/07/637236907.db2.gz OGVGCKONPMEGNF-HIFRSBDPSA-N 1 3 306.454 2.276 20 0 DEADHO CC[C@@H](C(=O)N1CCC([C@H](C)[NH2+]CC2CCC2)CC1)N(C)C ZINC001029144259 637274943 /nfs/dbraw/zinc/27/49/43/637274943.db2.gz HLZPDXKZUCKZPD-YOEHRIQHSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1ccnc(N)c1C[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000895086836 637532992 /nfs/dbraw/zinc/53/29/92/637532992.db2.gz WNKLBBAPPZTGNA-AEFFLSMTSA-N 1 3 310.445 2.407 20 0 DEADHO O=C(N1C[C@H]2CC[C@@H](C1)N2CCC1CC1)C12CCC[NH+]1CCC2 ZINC001029378361 637687372 /nfs/dbraw/zinc/68/73/72/637687372.db2.gz INLDEXAAAQKWIH-CALCHBBNSA-N 1 3 317.477 2.090 20 0 DEADHO COC(=O)c1cccc2c(C[NH2+]CC[C@@H](C)N(C)C)ccnc12 ZINC000895290581 637893712 /nfs/dbraw/zinc/89/37/12/637893712.db2.gz MXMVPHAOGZGFGM-CYBMUJFWSA-N 1 3 315.417 2.451 20 0 DEADHO COC(=O)c1cc(CN(C)CCCC[NH+]2CCCCC2)c[nH]1 ZINC000895684508 638150526 /nfs/dbraw/zinc/15/05/26/638150526.db2.gz DFDNHQYOWHAKIS-UHFFFAOYSA-N 1 3 307.438 2.499 20 0 DEADHO CN(C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCCN(C)C1 ZINC000895804902 638207138 /nfs/dbraw/zinc/20/71/38/638207138.db2.gz NSSYEKBADDWKTD-RDJZCZTQSA-N 1 3 322.497 2.129 20 0 DEADHO CN(C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCCN(C)C1 ZINC000895804902 638207142 /nfs/dbraw/zinc/20/71/42/638207142.db2.gz NSSYEKBADDWKTD-RDJZCZTQSA-N 1 3 322.497 2.129 20 0 DEADHO CN(C)c1ccc(N2CCC([NH2+][C@H]3CCC[C@H]3CN)CC2)cc1 ZINC000841031751 650409327 /nfs/dbraw/zinc/40/93/27/650409327.db2.gz WLNBQMNCBNBAPE-KXBFYZLASA-N 1 3 316.493 2.438 20 0 DEADHO CC(C)[NH+](CCCNC(=S)NC1CCN(C)CC1)C(C)C ZINC000746392329 638341291 /nfs/dbraw/zinc/34/12/91/638341291.db2.gz CRUALMDMMCEHRK-UHFFFAOYSA-N 1 3 314.543 2.054 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@H](N[C@@H]2CCCC[NH2+]C2)C1 ZINC000841091376 650428533 /nfs/dbraw/zinc/42/85/33/650428533.db2.gz WNDGUPKIRSVOQH-FRRDWIJNSA-N 1 3 304.381 2.085 20 0 DEADHO C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)N1CCCCC1 ZINC000749206757 638623472 /nfs/dbraw/zinc/62/34/72/638623472.db2.gz BBOWZRPWIGEMOZ-RDJZCZTQSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)N1CCCCC1 ZINC000749206757 638623478 /nfs/dbraw/zinc/62/34/78/638623478.db2.gz BBOWZRPWIGEMOZ-RDJZCZTQSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCC2)C1 ZINC000984800662 638693087 /nfs/dbraw/zinc/69/30/87/638693087.db2.gz RINZEKJBUXIWFD-DJIMGWMZSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccsc2)C1 ZINC000984805044 638693920 /nfs/dbraw/zinc/69/39/20/638693920.db2.gz RGFSOANCJPWGRU-BPUTZDHNSA-N 1 3 321.490 2.217 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H](C[NH2+]CC3CC3)C2)c1 ZINC000985147606 639079262 /nfs/dbraw/zinc/07/92/62/639079262.db2.gz BZMRGIPWYSRFJN-SAABIXHNSA-N 1 3 315.461 2.256 20 0 DEADHO COC(=O)c1ccccc1CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000897309569 639400264 /nfs/dbraw/zinc/40/02/64/639400264.db2.gz JIZJSUJRPZFAQW-CVEARBPZSA-N 1 3 302.418 2.232 20 0 DEADHO COC(=O)c1ccccc1CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000897309569 639400267 /nfs/dbraw/zinc/40/02/67/639400267.db2.gz JIZJSUJRPZFAQW-CVEARBPZSA-N 1 3 302.418 2.232 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC([N@H+](C)CC3CCCC3)CC2)C1 ZINC000985656648 639567401 /nfs/dbraw/zinc/56/74/01/639567401.db2.gz YSAGMWGAXWYIAU-MRXNPFEDSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC([N@@H+](C)CC3CCCC3)CC2)C1 ZINC000985656648 639567405 /nfs/dbraw/zinc/56/74/05/639567405.db2.gz YSAGMWGAXWYIAU-MRXNPFEDSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+](C)C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000985804038 639644839 /nfs/dbraw/zinc/64/48/39/639644839.db2.gz MGXOYPIFVSVCPM-UHFFFAOYSA-N 1 3 303.450 2.305 20 0 DEADHO CC[N@@H+](C)C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000985804038 639644844 /nfs/dbraw/zinc/64/48/44/639644844.db2.gz MGXOYPIFVSVCPM-UHFFFAOYSA-N 1 3 303.450 2.305 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC(C[N@H+](C)CC2CCC2)CC1 ZINC001029995185 640023575 /nfs/dbraw/zinc/02/35/75/640023575.db2.gz BXFCJXCZCXWMNM-INIZCTEOSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC(C[N@@H+](C)CC2CCC2)CC1 ZINC001029995185 640023578 /nfs/dbraw/zinc/02/35/78/640023578.db2.gz BXFCJXCZCXWMNM-INIZCTEOSA-N 1 3 321.509 2.441 20 0 DEADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C)cs1 ZINC000987531764 640213885 /nfs/dbraw/zinc/21/38/85/640213885.db2.gz OECXAVLNUXXKMA-GDBMZVCRSA-N 1 3 321.490 2.231 20 0 DEADHO CCCC[C@H](C[NH3+])NC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000841848832 650578693 /nfs/dbraw/zinc/57/86/93/650578693.db2.gz XWLGOJOJMFCIIM-CHWSQXEVSA-N 1 3 312.845 2.067 20 0 DEADHO COc1ccc([C@@H](NC(C)C)C(=O)NC[C@@H](C)C[NH+](C)C)cc1 ZINC000897823307 640945568 /nfs/dbraw/zinc/94/55/68/640945568.db2.gz CLTYYPLKLHKMDI-RHSMWYFYSA-N 1 3 321.465 2.048 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CC2CCCCC2)CN1C(=O)Cc1c[nH]cn1 ZINC000989493058 641123816 /nfs/dbraw/zinc/12/38/16/641123816.db2.gz QTNRQNGGDXNJGV-XJKSGUPXSA-N 1 3 304.438 2.112 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCCN(CC2CC2)CC1)[NH+]1CCCC1 ZINC000989739376 641216874 /nfs/dbraw/zinc/21/68/74/641216874.db2.gz ULAQWCAATRBYNM-KRWDZBQOSA-N 1 3 307.482 2.051 20 0 DEADHO CCc1noc(C)c1[C@H](C)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000769870995 641303238 /nfs/dbraw/zinc/30/32/38/641303238.db2.gz CBRSNXSFECFZPW-ZFWWWQNUSA-N 1 3 320.481 2.365 20 0 DEADHO CCc1noc(C)c1[C@H](C)[NH2+]C[C@@H](C)CN1CCN(CC)CC1 ZINC000769875846 641304859 /nfs/dbraw/zinc/30/48/59/641304859.db2.gz XOKULJXWCCZZQW-CABCVRRESA-N 1 3 322.497 2.470 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000926904071 641460817 /nfs/dbraw/zinc/46/08/17/641460817.db2.gz DHZXLBGRKNWFEY-DYPLGBCKSA-N 1 3 306.372 2.416 20 0 DEADHO CCO[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H]1C)CN(C)C ZINC000926961021 641539944 /nfs/dbraw/zinc/53/99/44/641539944.db2.gz OABJJDWPABYNRP-QRQLOZEOSA-N 1 3 319.493 2.206 20 0 DEADHO O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1CC[C@@H](N2CCCCC2)C1 ZINC000900626937 642426913 /nfs/dbraw/zinc/42/69/13/642426913.db2.gz XMOBVAMHQFZNJO-ZACQAIPSSA-N 1 3 305.466 2.090 20 0 DEADHO O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N1CC[C@@H](N2CCCCC2)C1 ZINC000900626937 642426918 /nfs/dbraw/zinc/42/69/18/642426918.db2.gz XMOBVAMHQFZNJO-ZACQAIPSSA-N 1 3 305.466 2.090 20 0 DEADHO CC[N@@H+]1CCCN(C(=O)c2ccc(NC3=NCCC3)cc2)CC1 ZINC000900631678 642428620 /nfs/dbraw/zinc/42/86/20/642428620.db2.gz CQQBNYBKAYMMKX-UHFFFAOYSA-N 1 3 314.433 2.459 20 0 DEADHO CC[N@H+]1CCCN(C(=O)c2ccc(NC3=NCCC3)cc2)CC1 ZINC000900631678 642428622 /nfs/dbraw/zinc/42/86/22/642428622.db2.gz CQQBNYBKAYMMKX-UHFFFAOYSA-N 1 3 314.433 2.459 20 0 DEADHO C[N@@H+]1CCC[C@@H](N2CCN(C[C@@H]3CCc4ccccc43)CC2)C1 ZINC000780304453 642610637 /nfs/dbraw/zinc/61/06/37/642610637.db2.gz UFAGSYNIUMUAKT-RBUKOAKNSA-N 1 3 313.489 2.428 20 0 DEADHO C[N@H+]1CCC[C@@H](N2CCN(C[C@@H]3CCc4ccccc43)CC2)C1 ZINC000780304453 642610640 /nfs/dbraw/zinc/61/06/40/642610640.db2.gz UFAGSYNIUMUAKT-RBUKOAKNSA-N 1 3 313.489 2.428 20 0 DEADHO Cc1cccc(OC[C@H](O)CN[C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902348918 643003611 /nfs/dbraw/zinc/00/36/11/643003611.db2.gz NZDRZJGBKAEHFY-JKSUJKDBSA-N 1 3 306.450 2.103 20 0 DEADHO C[C@H](NCC1CC[NH+](Cc2cccs2)CC1)c1cn(C)nn1 ZINC000902782865 643142114 /nfs/dbraw/zinc/14/21/14/643142114.db2.gz PMURGXOZNUUGQH-ZDUSSCGKSA-N 1 3 319.478 2.439 20 0 DEADHO C[C@@H]1CN([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C[C@H]1CC[NH3+] ZINC000903497290 643372820 /nfs/dbraw/zinc/37/28/20/643372820.db2.gz UBFUTFADMMAAOB-XJKCOSOUSA-N 1 3 321.852 2.362 20 0 DEADHO CCCCCNC(=O)C1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903723543 643439804 /nfs/dbraw/zinc/43/98/04/643439804.db2.gz IEPUPTNKMBTPON-INIZCTEOSA-N 1 3 309.498 2.395 20 0 DEADHO c1ccc([C@H]2CCCN2C[C@@H]2CC3(CO2)CC[NH2+]CC3)nc1 ZINC000903737012 643449480 /nfs/dbraw/zinc/44/94/80/643449480.db2.gz OOJHFZLPBHKHMN-DOTOQJQBSA-N 1 3 301.434 2.377 20 0 DEADHO c1ccc([C@]23COC[C@H]2CN(C[C@@H]2CCCC[NH2+]C2)C3)cc1 ZINC000903784241 643461649 /nfs/dbraw/zinc/46/16/49/643461649.db2.gz MIPJXENXDWJHAH-QRQLOZEOSA-N 1 3 300.446 2.276 20 0 DEADHO CN(C(=O)CN1CCC(C(C)(C)C[NH3+])CC1)C1CCCCC1 ZINC000903789370 643463533 /nfs/dbraw/zinc/46/35/33/643463533.db2.gz UXURVONJYZSFRY-UHFFFAOYSA-N 1 3 309.498 2.474 20 0 DEADHO Cc1c(C[C@H](CN)C[NH2+][C@H](C)Cc2cccs2)cnn1C ZINC000903922896 643508985 /nfs/dbraw/zinc/50/89/85/643508985.db2.gz HBBBYYHRLCONOP-TZMCWYRMSA-N 1 3 306.479 2.128 20 0 DEADHO FC1(F)CCNC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000903955954 643529836 /nfs/dbraw/zinc/52/98/36/643529836.db2.gz CYBRKUHFFUIINX-GFCCVEGCSA-N 1 3 312.389 2.473 20 0 DEADHO CCc1ccccc1NC(=O)C[C@H](C)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903967734 643537790 /nfs/dbraw/zinc/53/77/90/643537790.db2.gz MNNGBMIVTFTNNQ-YCPHGPKFSA-N 1 3 303.450 2.411 20 0 DEADHO [NH3+][C@H]1C[C@@H](CN2CCN(CCOc3ccccc3Cl)CC2)C1 ZINC000904337421 643634225 /nfs/dbraw/zinc/63/42/25/643634225.db2.gz YKQDPRMALYRAHX-GASCZTMLSA-N 1 3 323.868 2.074 20 0 DEADHO CC(C)(C)CC[C@@H](N)C[NH2+]C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000904367451 643646739 /nfs/dbraw/zinc/64/67/39/643646739.db2.gz BAIJUYFCSHENKZ-GDBMZVCRSA-N 1 3 323.456 2.213 20 0 DEADHO CC(C)(C)CC[C@H]([NH3+])CN1CCC(C)(N2CCOCC2)CC1 ZINC000904379638 643655261 /nfs/dbraw/zinc/65/52/61/643655261.db2.gz ANLIZJHQUALPKG-INIZCTEOSA-N 1 3 311.514 2.327 20 0 DEADHO COc1ccc(CN2CC[C@@H](CC[NH3+])C2)c(OC(F)F)c1 ZINC000904406943 643660703 /nfs/dbraw/zinc/66/07/03/643660703.db2.gz YBZTYGDNXUNTOI-LLVKDONJSA-N 1 3 300.349 2.467 20 0 DEADHO CN(CC(C)(C)C[NH+](C)C)C(=O)Nc1ccc2c(c1)CNC2 ZINC000904516333 643684758 /nfs/dbraw/zinc/68/47/58/643684758.db2.gz YEQIZHBISMMBSV-UHFFFAOYSA-N 1 3 304.438 2.341 20 0 DEADHO C[N@H+](CCCNC[C@H](O)CC1(O)CCCC1)Cc1ccccc1 ZINC000905025925 643774397 /nfs/dbraw/zinc/77/43/97/643774397.db2.gz MHWHJEYXRHCNTC-GOSISDBHSA-N 1 3 320.477 2.154 20 0 DEADHO C[N@@H+](CCCNC[C@H](O)CC1(O)CCCC1)Cc1ccccc1 ZINC000905025925 643774399 /nfs/dbraw/zinc/77/43/99/643774399.db2.gz MHWHJEYXRHCNTC-GOSISDBHSA-N 1 3 320.477 2.154 20 0 DEADHO CC(C)CN1CCC([NH2+]C[C@@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC000905066474 643785569 /nfs/dbraw/zinc/78/55/69/643785569.db2.gz RSORHXZGSNHQMF-RBUKOAKNSA-N 1 3 320.477 2.181 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@H](O)C[C@H](O)c2ccccc2)C1 ZINC000905069419 643787256 /nfs/dbraw/zinc/78/72/56/643787256.db2.gz CWSGOMSOPMSWJV-QRQLOZEOSA-N 1 3 320.477 2.181 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC[C@H](O)C[C@H](O)c2ccccc2)C1 ZINC000905069419 643787257 /nfs/dbraw/zinc/78/72/57/643787257.db2.gz CWSGOMSOPMSWJV-QRQLOZEOSA-N 1 3 320.477 2.181 20 0 DEADHO CCc1nn(C)c(Cl)c1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125008 650901545 /nfs/dbraw/zinc/90/15/45/650901545.db2.gz LALXGUQLBJOHSG-OLZOCXBDSA-N 1 3 310.873 2.457 20 0 DEADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(C)(C)N1CCCCC1 ZINC000907171939 644460044 /nfs/dbraw/zinc/46/00/44/644460044.db2.gz WMIATWFHVZPJMC-OAHLLOKOSA-N 1 3 309.498 2.440 20 0 DEADHO Cc1ccc(S(=O)(=O)CCCN(C)C2CCC([NH3+])CC2)cc1 ZINC000843354634 650955444 /nfs/dbraw/zinc/95/54/44/650955444.db2.gz GEFMIJJTTBJLFG-UHFFFAOYSA-N 1 3 324.490 2.361 20 0 DEADHO C[N@@H+](Cc1ccccc1)CC1CCN(CC[S@](C)=O)CC1 ZINC000798194790 644982388 /nfs/dbraw/zinc/98/23/88/644982388.db2.gz IYKZVXBCGPDNOU-NRFANRHFSA-N 1 3 308.491 2.209 20 0 DEADHO C[N@H+](Cc1ccccc1)CC1CCN(CC[S@](C)=O)CC1 ZINC000798194790 644982392 /nfs/dbraw/zinc/98/23/92/644982392.db2.gz IYKZVXBCGPDNOU-NRFANRHFSA-N 1 3 308.491 2.209 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000799028938 645110753 /nfs/dbraw/zinc/11/07/53/645110753.db2.gz IPDPMSIJMCTCFE-IYBDPMFKSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccnc(Cl)c1 ZINC000799726839 645214048 /nfs/dbraw/zinc/21/40/48/645214048.db2.gz RWXCEKKFCXETRO-ZDUSSCGKSA-N 1 3 310.873 2.412 20 0 DEADHO C[N@H+](CCCN1CCCC1)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000800383893 645264296 /nfs/dbraw/zinc/26/42/96/645264296.db2.gz HLPJTHVPJXYAPO-UHFFFAOYSA-N 1 3 311.470 2.271 20 0 DEADHO C[N@@H+](CCCN1CCCC1)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000800383893 645264301 /nfs/dbraw/zinc/26/43/01/645264301.db2.gz HLPJTHVPJXYAPO-UHFFFAOYSA-N 1 3 311.470 2.271 20 0 DEADHO C[C@H](CNC(=O)NC[C@H]1CCCCN1C)[N@@H+]1CCCC[C@H]1C ZINC000911974214 645896924 /nfs/dbraw/zinc/89/69/24/645896924.db2.gz SRFIUXMLAZRTQM-BZUAXINKSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H](CNC(=O)NC[C@H]1CCCCN1C)[N@H+]1CCCC[C@H]1C ZINC000911974214 645896926 /nfs/dbraw/zinc/89/69/26/645896926.db2.gz SRFIUXMLAZRTQM-BZUAXINKSA-N 1 3 310.486 2.033 20 0 DEADHO CCCN(C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[C@H]1CCN(C)C1 ZINC000843989384 651059461 /nfs/dbraw/zinc/05/94/61/651059461.db2.gz NSIQSKSRMHXFDW-WMLDXEAASA-N 1 3 313.461 2.142 20 0 DEADHO CCCN(C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)[C@H]1CCN(C)C1 ZINC000843989384 651059465 /nfs/dbraw/zinc/05/94/65/651059465.db2.gz NSIQSKSRMHXFDW-WMLDXEAASA-N 1 3 313.461 2.142 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000811524973 646539854 /nfs/dbraw/zinc/53/98/54/646539854.db2.gz BFNWNVRTZXMENE-WMLDXEAASA-N 1 3 313.461 2.190 20 0 DEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000811524973 646539856 /nfs/dbraw/zinc/53/98/56/646539856.db2.gz BFNWNVRTZXMENE-WMLDXEAASA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H](CN[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1)C[NH+](C)C ZINC000813877052 646818808 /nfs/dbraw/zinc/81/88/08/646818808.db2.gz JFVSVGSNTLKULY-ZHALLVOQSA-N 1 3 319.493 2.063 20 0 DEADHO C[C@H](C[NH2+][C@H](C)[C@H]1CN(Cc2ccccc2)CCO1)CN(C)C ZINC000813877052 646818817 /nfs/dbraw/zinc/81/88/17/646818817.db2.gz JFVSVGSNTLKULY-ZHALLVOQSA-N 1 3 319.493 2.063 20 0 DEADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCCc2cnn(C)n2)CC1 ZINC000815638786 647037754 /nfs/dbraw/zinc/03/77/54/647037754.db2.gz FKWPGNYTQNXXEK-YJBOKZPZSA-N 1 3 319.497 2.380 20 0 DEADHO C[C@@H]1CCNC[C@H]1[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC000817889192 647371343 /nfs/dbraw/zinc/37/13/43/647371343.db2.gz NTXSEPIEOZPABD-LERXQTSPSA-N 1 3 302.340 2.326 20 0 DEADHO COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000817893141 647373572 /nfs/dbraw/zinc/37/35/72/647373572.db2.gz QKQBICUBJNLMRL-PXAZEXFGSA-N 1 3 315.417 2.242 20 0 DEADHO Cc1cc(C)cc([C@H](O)CNCCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000819264808 647621021 /nfs/dbraw/zinc/62/10/21/647621021.db2.gz GEIVPGVHUBMESH-IEBWSBKVSA-N 1 3 320.477 2.427 20 0 DEADHO Cc1cc(C)cc([C@H](O)CNCCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000819264808 647621025 /nfs/dbraw/zinc/62/10/25/647621025.db2.gz GEIVPGVHUBMESH-IEBWSBKVSA-N 1 3 320.477 2.427 20 0 DEADHO CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H]1C ZINC000994504709 647972869 /nfs/dbraw/zinc/97/28/69/647972869.db2.gz YBCRWNMDJSKPEK-WMLDXEAASA-N 1 3 303.450 2.351 20 0 DEADHO CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H]1C ZINC000994504709 647972873 /nfs/dbraw/zinc/97/28/73/647972873.db2.gz YBCRWNMDJSKPEK-WMLDXEAASA-N 1 3 303.450 2.351 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)CCN1C ZINC000919651975 648169623 /nfs/dbraw/zinc/16/96/23/648169623.db2.gz SBCUALWIPKMZPY-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO CN1CCC(NC(=S)NCCCCCCC[NH+](C)C)CC1 ZINC000920864760 648257452 /nfs/dbraw/zinc/25/74/52/648257452.db2.gz PGAPZIPQZTTZFW-UHFFFAOYSA-N 1 3 314.543 2.057 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000825602633 648786551 /nfs/dbraw/zinc/78/65/51/648786551.db2.gz LMSCZEJEEYIZMR-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)C[C@@H]([NH3+])C2CC2)N(C)C)cc1 ZINC000825776671 648811119 /nfs/dbraw/zinc/81/11/19/648811119.db2.gz SBRVLEQHJIXUAY-IAGOWNOFSA-N 1 3 303.450 2.095 20 0 DEADHO CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C(C)C)C(C)(C)C1 ZINC000941076252 648994561 /nfs/dbraw/zinc/99/45/61/648994561.db2.gz UNTUHMWFDJSVLG-CVEARBPZSA-N 1 3 309.498 2.486 20 0 DEADHO CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C(C)C)C(C)(C)C1 ZINC000941076252 648994563 /nfs/dbraw/zinc/99/45/63/648994563.db2.gz UNTUHMWFDJSVLG-CVEARBPZSA-N 1 3 309.498 2.486 20 0 DEADHO CC1CCC(N2CCN(C(=O)c3cccc(C[NH3+])c3)CC2)CC1 ZINC000829758672 649351832 /nfs/dbraw/zinc/35/18/32/649351832.db2.gz PRWSPWTZRPRGQN-UHFFFAOYSA-N 1 3 315.461 2.482 20 0 DEADHO CCO[C@@H](CCNC(=[NH2+])NC[C@@H]1CCCN1CC)C1CCCC1 ZINC000083053317 649646619 /nfs/dbraw/zinc/64/66/19/649646619.db2.gz FUSPKGBQBFCNAR-IRXDYDNUSA-N 1 3 324.513 2.360 20 0 DEADHO CN(C)C[C@@H](NC(=O)C[C@H]([NH3+])C1CC1)c1ccc(Cl)cc1 ZINC000831933543 649660561 /nfs/dbraw/zinc/66/05/61/649660561.db2.gz MGPLUKXHZPOAFW-LSDHHAIUSA-N 1 3 309.841 2.186 20 0 DEADHO [NH3+]CCCCCC(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000844170984 651086113 /nfs/dbraw/zinc/08/61/13/651086113.db2.gz WLBVGSUOCKEOMU-UHFFFAOYSA-N 1 3 319.449 2.101 20 0 DEADHO CC[NH2+]CC(=O)N(CC)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000844177676 651087181 /nfs/dbraw/zinc/08/71/81/651087181.db2.gz MAOWEOQKFZXHMQ-WBVHZDCISA-N 1 3 303.450 2.280 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N2CCC(CC[NH3+])CC2)cc(Cl)n1 ZINC000846695076 651346584 /nfs/dbraw/zinc/34/65/84/651346584.db2.gz HSBKYYRDDJJJLE-CQSZACIVSA-N 1 3 324.856 2.021 20 0 DEADHO C[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)N1CCCC1 ZINC000848986635 651572150 /nfs/dbraw/zinc/57/21/50/651572150.db2.gz OHOGQCVDWWOJOD-DZGCQCFKSA-N 1 3 302.422 2.108 20 0 DEADHO CC[C@H](C)NC(=[NH2+])NCC1(N2CCC(OC)CC2)CCCC1 ZINC000849006548 651579314 /nfs/dbraw/zinc/57/93/14/651579314.db2.gz PXQQJYSVUZLTAD-AWEZNQCLSA-N 1 3 310.486 2.322 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C/c1cccc(F)c1 ZINC000855346230 651679801 /nfs/dbraw/zinc/67/98/01/651679801.db2.gz SHWVOKBSFPGUCP-FEAKQIBJSA-N 1 3 321.440 2.227 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C/c1cccc(F)c1 ZINC000855346230 651679803 /nfs/dbraw/zinc/67/98/03/651679803.db2.gz SHWVOKBSFPGUCP-FEAKQIBJSA-N 1 3 321.440 2.227 20 0 DEADHO [NH3+]CCCCCCC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000852861059 652471614 /nfs/dbraw/zinc/47/16/14/652471614.db2.gz ZEMKJEGQYCSHLU-INIZCTEOSA-N 1 3 305.422 2.195 20 0 DEADHO CC(C)C[C@@H](C)C[N@@H+]1CC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001372682262 1156678598 /nfs/dbraw/zinc/67/85/98/1156678598.db2.gz NURZNHWBXMTSGW-IAGOWNOFSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)C[C@@H](C)C[N@H+]1CC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001372682262 1156678606 /nfs/dbraw/zinc/67/86/06/1156678606.db2.gz NURZNHWBXMTSGW-IAGOWNOFSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)[C@H](CNC(=O)[C@H]1CCCN1C(C)C)[NH2+]C/C=C/Cl ZINC001374418478 1157848389 /nfs/dbraw/zinc/84/83/89/1157848389.db2.gz GKLRRCPTMBVSRF-VKGGURKZSA-N 1 3 315.889 2.342 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1cccc(C)c1)N(C)C ZINC001394126742 1158319020 /nfs/dbraw/zinc/31/90/20/1158319020.db2.gz NETRFSHFIJHJIC-DOTOQJQBSA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1cccc(C)c1)N(C)C ZINC001394126742 1158319028 /nfs/dbraw/zinc/31/90/28/1158319028.db2.gz NETRFSHFIJHJIC-DOTOQJQBSA-N 1 3 305.466 2.272 20 0 DEADHO CC(C)[N@@H+]1CCCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001394344779 1158420196 /nfs/dbraw/zinc/42/01/96/1158420196.db2.gz BCJIQJKQCFMORL-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[N@H+]1CCCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001394344779 1158420197 /nfs/dbraw/zinc/42/01/97/1158420197.db2.gz BCJIQJKQCFMORL-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001054129191 693856108 /nfs/dbraw/zinc/85/61/08/693856108.db2.gz MGFVJQJIWUFVQZ-FUHWJXTLSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001054129191 693856110 /nfs/dbraw/zinc/85/61/10/693856110.db2.gz MGFVJQJIWUFVQZ-FUHWJXTLSA-N 1 3 307.482 2.194 20 0 DEADHO CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001054145461 693861605 /nfs/dbraw/zinc/86/16/05/693861605.db2.gz QKWSWUOQRDMDTD-IEBWSBKVSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001054145461 693861609 /nfs/dbraw/zinc/86/16/09/693861609.db2.gz QKWSWUOQRDMDTD-IEBWSBKVSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145861 693861780 /nfs/dbraw/zinc/86/17/80/693861780.db2.gz YXPOBVMRVAFQRV-LJQANCHMSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145861 693861785 /nfs/dbraw/zinc/86/17/85/693861785.db2.gz YXPOBVMRVAFQRV-LJQANCHMSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001054198517 693879796 /nfs/dbraw/zinc/87/97/96/693879796.db2.gz YVGYTWNPQBVRSW-PKOBYXMFSA-N 1 3 321.509 2.443 20 0 DEADHO CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001054198517 693879800 /nfs/dbraw/zinc/87/98/00/693879800.db2.gz YVGYTWNPQBVRSW-PKOBYXMFSA-N 1 3 321.509 2.443 20 0 DEADHO COCc1cc([C@@H](C)[NH2+]CC2(N)CCOCC2)ccc1OC ZINC000863542513 686517994 /nfs/dbraw/zinc/51/79/94/686517994.db2.gz WFBCYSRKVRITNQ-CYBMUJFWSA-N 1 3 308.422 2.000 20 0 DEADHO CCOC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2ccc(CN)nc2C)C1 ZINC000863543848 686518477 /nfs/dbraw/zinc/51/84/77/686518477.db2.gz DLJWPUCHUJJMHZ-BXUZGUMPSA-N 1 3 303.406 2.151 20 0 DEADHO C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1NCCF ZINC001054826066 694054060 /nfs/dbraw/zinc/05/40/60/694054060.db2.gz DTHIIJFYZHCWCB-HIFRSBDPSA-N 1 3 313.461 2.045 20 0 DEADHO C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1NCCF ZINC001054826066 694054065 /nfs/dbraw/zinc/05/40/65/694054065.db2.gz DTHIIJFYZHCWCB-HIFRSBDPSA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccccn1 ZINC000866230849 687502389 /nfs/dbraw/zinc/50/23/89/687502389.db2.gz FQUOTRWZGWFCJW-GOSISDBHSA-N 1 3 304.482 2.396 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CC1)CC2 ZINC001016618156 687665806 /nfs/dbraw/zinc/66/58/06/687665806.db2.gz PTYQZCJHRHGFJJ-SJORKVTESA-N 1 3 319.493 2.240 20 0 DEADHO CC(C)=CC[NH+]1CCC2(C[C@@H]2NC(=O)CN2CCC[C@H]2C)CC1 ZINC001016830818 687712820 /nfs/dbraw/zinc/71/28/20/687712820.db2.gz WIYBAUARPKRPRH-SJORKVTESA-N 1 3 319.493 2.408 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001017209419 687824185 /nfs/dbraw/zinc/82/41/85/687824185.db2.gz PBQGEHAFBAHPBK-DOTOQJQBSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC001017209419 687824193 /nfs/dbraw/zinc/82/41/93/687824193.db2.gz PBQGEHAFBAHPBK-DOTOQJQBSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[N@H+](C)C[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001017241465 687840478 /nfs/dbraw/zinc/84/04/78/687840478.db2.gz SVEXIVTTWOZYRT-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001017241465 687840482 /nfs/dbraw/zinc/84/04/82/687840482.db2.gz SVEXIVTTWOZYRT-KRWDZBQOSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[C@@H](C)C1 ZINC001017943559 688008462 /nfs/dbraw/zinc/00/84/62/688008462.db2.gz GIEOONGPMASSCC-ZACQAIPSSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[C@@H](C)C1 ZINC001017943559 688008464 /nfs/dbraw/zinc/00/84/64/688008464.db2.gz GIEOONGPMASSCC-ZACQAIPSSA-N 1 3 307.482 2.050 20 0 DEADHO CC1CC(CN2C[C@H]3CC[C@@H](C2)N3C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001018179442 688072741 /nfs/dbraw/zinc/07/27/41/688072741.db2.gz GUWSZZRFKKREDF-GNBAHCQZSA-N 1 3 319.493 2.050 20 0 DEADHO CC1CC(CN2C[C@H]3CC[C@@H](C2)N3C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001018179442 688072745 /nfs/dbraw/zinc/07/27/45/688072745.db2.gz GUWSZZRFKKREDF-GNBAHCQZSA-N 1 3 319.493 2.050 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001018634196 688190453 /nfs/dbraw/zinc/19/04/53/688190453.db2.gz HBMSWFQETYDWSW-HOTGVXAUSA-N 1 3 321.852 2.125 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)cc3)C2)CCC1 ZINC001018962831 688262817 /nfs/dbraw/zinc/26/28/17/688262817.db2.gz MHOQQCISPBRRJZ-INIZCTEOSA-N 1 3 319.424 2.001 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001019381364 688343474 /nfs/dbraw/zinc/34/34/74/688343474.db2.gz HJFYUTHYXBNQTD-HOCLYGCPSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CCCC2)C1)N(C)C ZINC001029767338 688574372 /nfs/dbraw/zinc/57/43/72/688574372.db2.gz ONBMYUCREILBCC-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CCCC2)C1)N(C)C ZINC001029767338 688574374 /nfs/dbraw/zinc/57/43/74/688574374.db2.gz ONBMYUCREILBCC-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000870872885 688673649 /nfs/dbraw/zinc/67/36/49/688673649.db2.gz OZVASKDIBLIWBQ-BGTYHANMSA-N 1 3 315.461 2.456 20 0 DEADHO COc1ccccc1[C@@H]1CSCCCN1CCOCC[NH3+] ZINC000872157270 688941485 /nfs/dbraw/zinc/94/14/85/688941485.db2.gz JMQUSBHVMSNZLT-HNNXBMFYSA-N 1 3 310.463 2.151 20 0 DEADHO OC[C@@]1(NCc2cc3c(s2)CC[NH2+]C3)CCc2ccccc21 ZINC000873206851 689183489 /nfs/dbraw/zinc/18/34/89/689183489.db2.gz MKDUMIXKAHAMDO-SFHVURJKSA-N 1 3 314.454 2.317 20 0 DEADHO c1c(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)sc2c1CNCC2 ZINC000873210962 689184480 /nfs/dbraw/zinc/18/44/80/689184480.db2.gz FOMKKZGCSAOGGE-FVQBIDKESA-N 1 3 304.459 2.441 20 0 DEADHO C[C@H]1C[C@H](CN2CCN(c3ccc(F)cc3F)CC2)CC[NH2+]1 ZINC000873221420 689186527 /nfs/dbraw/zinc/18/65/27/689186527.db2.gz JUNJOGRNLMRIMB-UONOGXRCSA-N 1 3 309.404 2.475 20 0 DEADHO COc1cccc2c1OC[C@@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)C2 ZINC000873240763 689191512 /nfs/dbraw/zinc/19/15/12/689191512.db2.gz BWZKXYYDJXBMGB-CABCVRRESA-N 1 3 304.434 2.367 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000873249883 689194587 /nfs/dbraw/zinc/19/45/87/689194587.db2.gz DBDGMKSGDQUVFV-CZUORRHYSA-N 1 3 319.449 2.085 20 0 DEADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CC(C)(C)C2)C1 ZINC001032628337 689206944 /nfs/dbraw/zinc/20/69/44/689206944.db2.gz WLBFTSZPPDECFC-XIRDDKMYSA-N 1 3 319.493 2.050 20 0 DEADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CC(C)(C)C2)C1 ZINC001032628337 689206946 /nfs/dbraw/zinc/20/69/46/689206946.db2.gz WLBFTSZPPDECFC-XIRDDKMYSA-N 1 3 319.493 2.050 20 0 DEADHO C[NH+](C)Cc1ccccc1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC1 ZINC001032800579 689264626 /nfs/dbraw/zinc/26/46/26/689264626.db2.gz OKNKGNPQKXAXAV-IRXDYDNUSA-N 1 3 313.445 2.057 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000874839825 689512253 /nfs/dbraw/zinc/51/22/53/689512253.db2.gz YSYKFOBMORTOJZ-IRXDYDNUSA-N 1 3 301.434 2.057 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC000874839825 689512255 /nfs/dbraw/zinc/51/22/55/689512255.db2.gz YSYKFOBMORTOJZ-IRXDYDNUSA-N 1 3 301.434 2.057 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N(C)[C@H]1CC[N@H+](CCCF)C1 ZINC001033683677 689583802 /nfs/dbraw/zinc/58/38/02/689583802.db2.gz AWZKLFZRXUGDHY-INIZCTEOSA-N 1 3 321.440 2.254 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N(C)[C@H]1CC[N@@H+](CCCF)C1 ZINC001033683677 689583806 /nfs/dbraw/zinc/58/38/06/689583806.db2.gz AWZKLFZRXUGDHY-INIZCTEOSA-N 1 3 321.440 2.254 20 0 DEADHO CC[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001034534797 689889382 /nfs/dbraw/zinc/88/93/82/689889382.db2.gz BPROIQXDBRYUJZ-QGZVFWFLSA-N 1 3 303.450 2.352 20 0 DEADHO CC[N@H+]1CCCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001034534797 689889386 /nfs/dbraw/zinc/88/93/86/689889386.db2.gz BPROIQXDBRYUJZ-QGZVFWFLSA-N 1 3 303.450 2.352 20 0 DEADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000876730965 689919259 /nfs/dbraw/zinc/91/92/59/689919259.db2.gz CHUKRULYVLMICC-AKBADGPISA-N 1 3 315.461 2.126 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)CN1Cc1ccccc1 ZINC000876777624 689934463 /nfs/dbraw/zinc/93/44/63/689934463.db2.gz SOVOYPNKLMKGCK-BSWAZPDLSA-N 1 3 315.461 2.139 20 0 DEADHO CC[NH2+][C@H]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001034798627 689950029 /nfs/dbraw/zinc/95/00/29/689950029.db2.gz JHHPCDNJRDJKLL-QAQDUYKDSA-N 1 3 303.450 2.399 20 0 DEADHO c1ccc([C@@H]2C[C@H](NC[C@@H]3COCCO3)CC[N@@H+]2C2CC2)cc1 ZINC000876951875 689980718 /nfs/dbraw/zinc/98/07/18/689980718.db2.gz QLUWFXHLDZSQFP-QRQLOZEOSA-N 1 3 316.445 2.360 20 0 DEADHO c1ccc([C@@H]2C[C@H](NC[C@@H]3COCCO3)CC[N@H+]2C2CC2)cc1 ZINC000876951875 689980723 /nfs/dbraw/zinc/98/07/23/689980723.db2.gz QLUWFXHLDZSQFP-QRQLOZEOSA-N 1 3 316.445 2.360 20 0 DEADHO C[NH2+]CCc1ccccc1C(=O)N1CCN(C)C(C)(C)CC1 ZINC000877206946 690046075 /nfs/dbraw/zinc/04/60/75/690046075.db2.gz SBTUTUBVEINUOC-UHFFFAOYSA-N 1 3 303.450 2.005 20 0 DEADHO O=C(N[C@@H]1CCCCC12CC[NH2+]CC2)c1cccc2c1CNC2 ZINC000877409557 690105625 /nfs/dbraw/zinc/10/56/25/690105625.db2.gz VKWHUQGHYUGMDP-QGZVFWFLSA-N 1 3 313.445 2.332 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC2(C[NH+](CCC3CC3)C2)CC1)C1CC1 ZINC001035721147 690161076 /nfs/dbraw/zinc/16/10/76/690161076.db2.gz QVIIJHDUOKELQS-KRWDZBQOSA-N 1 3 319.493 2.051 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CC1CCC1 ZINC001036069080 690251950 /nfs/dbraw/zinc/25/19/50/690251950.db2.gz YIZHLLVTAKTZPR-PBHICJAKSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccccc1 ZINC000877928771 690262676 /nfs/dbraw/zinc/26/26/76/690262676.db2.gz IAWIDWOXNKNMHY-GOSISDBHSA-N 1 3 303.450 2.184 20 0 DEADHO CC[NH2+][C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001036304468 690315483 /nfs/dbraw/zinc/31/54/83/690315483.db2.gz QVBRQBHUJHBNDG-RHSMWYFYSA-N 1 3 303.450 2.208 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H]3CCC4(CCOCC4)O3)CC[C@@H]21 ZINC000878196498 690343581 /nfs/dbraw/zinc/34/35/81/690343581.db2.gz CYLSJWBRGDPVJW-IKGGRYGDSA-N 1 3 308.466 2.131 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C[C@@H]3CCC4(CCOCC4)O3)CC[C@@H]21 ZINC000878196498 690343584 /nfs/dbraw/zinc/34/35/84/690343584.db2.gz CYLSJWBRGDPVJW-IKGGRYGDSA-N 1 3 308.466 2.131 20 0 DEADHO CC(C)[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001036453082 690353503 /nfs/dbraw/zinc/35/35/03/690353503.db2.gz UZIHJYRPRNSDLJ-HZPDHXFCSA-N 1 3 309.498 2.343 20 0 DEADHO CCC[C@@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccccc1 ZINC000878346677 690385083 /nfs/dbraw/zinc/38/50/83/690385083.db2.gz NUCBRBSEVDXWKB-QGZVFWFLSA-N 1 3 303.450 2.328 20 0 DEADHO CN1CC[C@]2(C1)CCC[N@H+](C[C@H]1CCC3(CCOCC3)CO1)C2 ZINC000878662114 690470399 /nfs/dbraw/zinc/47/03/99/690470399.db2.gz MLDXUNIJYLLTCQ-MJGOQNOKSA-N 1 3 322.493 2.380 20 0 DEADHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@H]1CCC3(CCOCC3)CO1)C2 ZINC000878662114 690470402 /nfs/dbraw/zinc/47/04/02/690470402.db2.gz MLDXUNIJYLLTCQ-MJGOQNOKSA-N 1 3 322.493 2.380 20 0 DEADHO Cc1ccc(C2(NCC(=O)NC3CC[NH+](C)CC3)CCC2)cc1 ZINC000878770640 690496542 /nfs/dbraw/zinc/49/65/42/690496542.db2.gz RFJOJJUAFNDYEJ-UHFFFAOYSA-N 1 3 315.461 2.174 20 0 DEADHO COCCN(CC1CC[NH+](C)CC1)CC1(Br)CC1 ZINC000879127242 690573389 /nfs/dbraw/zinc/57/33/89/690573389.db2.gz UDRSOKPREIKBKD-UHFFFAOYSA-N 1 3 319.287 2.204 20 0 DEADHO C[C@H](C(=O)N1CCC(C)CC1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248622 690602677 /nfs/dbraw/zinc/60/26/77/690602677.db2.gz RGCWLDSSAFILTJ-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCCN(C(=O)CN2CCC3(CC2)CC[NH+](C)CC3)C1 ZINC000879247266 690602708 /nfs/dbraw/zinc/60/27/08/690602708.db2.gz RGQHDIJPPVALQP-MRXNPFEDSA-N 1 3 307.482 2.053 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC(C)(C)C ZINC001038237557 690751810 /nfs/dbraw/zinc/75/18/10/690751810.db2.gz CVASPOYOBNVCID-JKSUJKDBSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC(C)(C)C ZINC001038237557 690751815 /nfs/dbraw/zinc/75/18/15/690751815.db2.gz CVASPOYOBNVCID-JKSUJKDBSA-N 1 3 309.498 2.486 20 0 DEADHO CCCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038246068 690756196 /nfs/dbraw/zinc/75/61/96/690756196.db2.gz BMJCITRMVLIEQB-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038246068 690756199 /nfs/dbraw/zinc/75/61/99/690756199.db2.gz BMJCITRMVLIEQB-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2CC2CC(C)(C)C2)CC[N@@H+]1C ZINC001038274438 690765138 /nfs/dbraw/zinc/76/51/38/690765138.db2.gz YNKGPOMGPCBRIE-IXDOHACOSA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2CC2CC(C)(C)C2)CC[N@H+]1C ZINC001038274438 690765141 /nfs/dbraw/zinc/76/51/41/690765141.db2.gz YNKGPOMGPCBRIE-IXDOHACOSA-N 1 3 321.509 2.343 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCC1 ZINC001038322361 690780150 /nfs/dbraw/zinc/78/01/50/690780150.db2.gz QSJUCTBCLWYXJQ-IRXDYDNUSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CCCC1 ZINC001038322361 690780154 /nfs/dbraw/zinc/78/01/54/690780154.db2.gz QSJUCTBCLWYXJQ-IRXDYDNUSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1CN(CC[C@@H]2COC(C)(C)O2)CCN1c1cc[nH+]cc1 ZINC000880258107 690853809 /nfs/dbraw/zinc/85/38/09/690853809.db2.gz CHHMNISWMQBLKM-GOEBONIOSA-N 1 3 305.422 2.134 20 0 DEADHO CC(C)CN1CC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038555213 690856810 /nfs/dbraw/zinc/85/68/10/690856810.db2.gz JUNLEVRPPCWRKN-KRWDZBQOSA-N 1 3 317.477 2.251 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CCN2CCC(C)C)C1 ZINC001038625145 690879268 /nfs/dbraw/zinc/87/92/68/690879268.db2.gz RGRQQHXZURQQCP-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CCN2CCC(C)C)C1 ZINC001038625145 690879271 /nfs/dbraw/zinc/87/92/71/690879271.db2.gz RGRQQHXZURQQCP-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)CCN1CC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001038873267 690951743 /nfs/dbraw/zinc/95/17/43/690951743.db2.gz SCOJXBBIAMPYRY-KRWDZBQOSA-N 1 3 309.498 2.343 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCN1CC(C)C ZINC001038908129 690963273 /nfs/dbraw/zinc/96/32/73/690963273.db2.gz HYJXCXVYSJORRQ-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCN1CC(C)C ZINC001038908129 690963275 /nfs/dbraw/zinc/96/32/75/690963275.db2.gz HYJXCXVYSJORRQ-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001039165691 691037886 /nfs/dbraw/zinc/03/78/86/691037886.db2.gz RHOYHPYTVUKPEO-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001039165691 691037888 /nfs/dbraw/zinc/03/78/88/691037888.db2.gz RHOYHPYTVUKPEO-FUHWJXTLSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039240082 691065117 /nfs/dbraw/zinc/06/51/17/691065117.db2.gz WGDAEMKXZPODTC-ZBFHGGJFSA-N 1 3 304.438 2.064 20 0 DEADHO CC(C)[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039240082 691065118 /nfs/dbraw/zinc/06/51/18/691065118.db2.gz WGDAEMKXZPODTC-ZBFHGGJFSA-N 1 3 304.438 2.064 20 0 DEADHO CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001040393749 691240938 /nfs/dbraw/zinc/24/09/38/691240938.db2.gz DQPWQDJGOBMZBS-SJLPKXTDSA-N 1 3 307.482 2.053 20 0 DEADHO CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001040393749 691240939 /nfs/dbraw/zinc/24/09/39/691240939.db2.gz DQPWQDJGOBMZBS-SJLPKXTDSA-N 1 3 307.482 2.053 20 0 DEADHO CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001041672319 691407917 /nfs/dbraw/zinc/40/79/17/691407917.db2.gz BGCPTVDKCIFNLF-FUHWJXTLSA-N 1 3 307.482 2.195 20 0 DEADHO CCCC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001041672319 691407920 /nfs/dbraw/zinc/40/79/20/691407920.db2.gz BGCPTVDKCIFNLF-FUHWJXTLSA-N 1 3 307.482 2.195 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001041845602 691444443 /nfs/dbraw/zinc/44/44/43/691444443.db2.gz JPVSTXTXCWOPAU-HKUYNNGSSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001041845602 691444447 /nfs/dbraw/zinc/44/44/47/691444447.db2.gz JPVSTXTXCWOPAU-HKUYNNGSSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN1CCC([NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)CC1 ZINC000883358665 691488218 /nfs/dbraw/zinc/48/82/18/691488218.db2.gz PBAIYWCSAYSSQW-SNVBAGLBSA-N 1 3 304.303 2.009 20 0 DEADHO COCC[C@H](N)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000884185829 691676753 /nfs/dbraw/zinc/67/67/53/691676753.db2.gz IZIZWRRNUGILLF-PBHICJAKSA-N 1 3 319.449 2.363 20 0 DEADHO COCC[C@H](N)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000884185829 691676755 /nfs/dbraw/zinc/67/67/55/691676755.db2.gz IZIZWRRNUGILLF-PBHICJAKSA-N 1 3 319.449 2.363 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CCC2CC2)CCN1C(=O)CN(C)C1CCC1 ZINC001044627662 691861559 /nfs/dbraw/zinc/86/15/59/691861559.db2.gz BIWQCDKLVMJQOL-GOEBONIOSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001045775986 692026948 /nfs/dbraw/zinc/02/69/48/692026948.db2.gz CGBHWFNMESWRFH-SQNIBIBYSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001045775986 692026952 /nfs/dbraw/zinc/02/69/52/692026952.db2.gz CGBHWFNMESWRFH-SQNIBIBYSA-N 1 3 319.493 2.335 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001045791011 692028323 /nfs/dbraw/zinc/02/83/23/692028323.db2.gz ZDLHTPAWWWCSRI-SQNIBIBYSA-N 1 3 319.493 2.336 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001045791011 692028327 /nfs/dbraw/zinc/02/83/27/692028327.db2.gz ZDLHTPAWWWCSRI-SQNIBIBYSA-N 1 3 319.493 2.336 20 0 DEADHO CC(C)[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045969297 692065183 /nfs/dbraw/zinc/06/51/83/692065183.db2.gz NPKAWJGVGUEJGX-QGZVFWFLSA-N 1 3 304.438 2.065 20 0 DEADHO CC(C)[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045969297 692065184 /nfs/dbraw/zinc/06/51/84/692065184.db2.gz NPKAWJGVGUEJGX-QGZVFWFLSA-N 1 3 304.438 2.065 20 0 DEADHO CN1CCN(c2ccc(C[NH2+][C@@H]3CCc4cccnc43)cn2)CC1 ZINC000886500462 692094507 /nfs/dbraw/zinc/09/45/07/692094507.db2.gz WUKYYUJDUWLUMR-QGZVFWFLSA-N 1 3 323.444 2.006 20 0 DEADHO C[N@@H+]1CC[C@H](NC[C@H](O)Cc2ccccc2F)[C@@H]2CCC[C@@H]21 ZINC000886675127 692157506 /nfs/dbraw/zinc/15/75/06/692157506.db2.gz XNFHVYNDNKYQBC-FZCLSBEQSA-N 1 3 306.425 2.192 20 0 DEADHO C[N@H+]1CC[C@H](NC[C@H](O)Cc2ccccc2F)[C@@H]2CCC[C@@H]21 ZINC000886675127 692157509 /nfs/dbraw/zinc/15/75/09/692157509.db2.gz XNFHVYNDNKYQBC-FZCLSBEQSA-N 1 3 306.425 2.192 20 0 DEADHO CCC[NH+]1CCC(NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)CC1 ZINC000886771618 692188474 /nfs/dbraw/zinc/18/84/74/692188474.db2.gz KZHPCEZBUXFKLG-MXSMSXNCSA-N 1 3 310.482 2.423 20 0 DEADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1CC[C@H]1COC(C)(C)O1 ZINC000887134512 692288413 /nfs/dbraw/zinc/28/84/13/692288413.db2.gz KYGPZJJOERXTRE-ZBFHGGJFSA-N 1 3 305.422 2.134 20 0 DEADHO CC[NH+]1CCC([C@@H]2CCCN(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001047255537 692403268 /nfs/dbraw/zinc/40/32/68/692403268.db2.gz ARKOQCMBVLSWMQ-SJLPKXTDSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]([NH2+]CC1=CCCCC1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047991108 692528805 /nfs/dbraw/zinc/52/88/05/692528805.db2.gz YNNCVHPKTYIYRU-ZBFHGGJFSA-N 1 3 316.449 2.279 20 0 DEADHO CC(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001048875802 692715028 /nfs/dbraw/zinc/71/50/28/692715028.db2.gz OGIFSPXETAQEHN-BBWFWOEESA-N 1 3 309.498 2.009 20 0 DEADHO CC(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001048875802 692715029 /nfs/dbraw/zinc/71/50/29/692715029.db2.gz OGIFSPXETAQEHN-BBWFWOEESA-N 1 3 309.498 2.009 20 0 DEADHO CC[C@@H](C)C[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001048875509 692715107 /nfs/dbraw/zinc/71/51/07/692715107.db2.gz AAYKXFFNMQIJPJ-NCOADZHNSA-N 1 3 309.498 2.009 20 0 DEADHO CC[C@@H](C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001048875509 692715108 /nfs/dbraw/zinc/71/51/08/692715108.db2.gz AAYKXFFNMQIJPJ-NCOADZHNSA-N 1 3 309.498 2.009 20 0 DEADHO CC1(C)CCN(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000890075942 692854863 /nfs/dbraw/zinc/85/48/63/692854863.db2.gz UGMHUPCPUGNMQA-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CC1(C)CCN(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000890075942 692854869 /nfs/dbraw/zinc/85/48/69/692854869.db2.gz UGMHUPCPUGNMQA-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccccc1Cn1ccnc1 ZINC000924625782 693161435 /nfs/dbraw/zinc/16/14/35/693161435.db2.gz RGSKAQQABOLALK-DFNIBXOVSA-N 1 3 310.445 2.361 20 0 DEADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccccc1Cn1ccnc1 ZINC000924625782 693161437 /nfs/dbraw/zinc/16/14/37/693161437.db2.gz RGSKAQQABOLALK-DFNIBXOVSA-N 1 3 310.445 2.361 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001050542611 693204078 /nfs/dbraw/zinc/20/40/78/693204078.db2.gz IDOZOCZLWUCYCT-MRXNPFEDSA-N 1 3 321.509 2.441 20 0 DEADHO CCC(CC)C[NH+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001050681366 693231243 /nfs/dbraw/zinc/23/12/43/693231243.db2.gz GOHYDJGPTIENHN-UHFFFAOYSA-N 1 3 318.465 2.313 20 0 DEADHO CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)CC1 ZINC001050765678 693246785 /nfs/dbraw/zinc/24/67/85/693246785.db2.gz WGESZYZANGEAHI-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)[NH+]1CCC2(CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001050766193 693247177 /nfs/dbraw/zinc/24/71/77/693247177.db2.gz KVLQZMAZWJPARA-IYBDPMFKSA-N 1 3 307.482 2.192 20 0 DEADHO C[C@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000925491397 693281770 /nfs/dbraw/zinc/28/17/70/693281770.db2.gz CJHOJQQFFGXINY-XJKSGUPXSA-N 1 3 301.434 2.162 20 0 DEADHO COc1cc(OC)cc([C@H](O)CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925500974 693283611 /nfs/dbraw/zinc/28/36/11/693283611.db2.gz ANGLLWJYVSIBJH-CKEIUWERSA-N 1 3 322.449 2.233 20 0 DEADHO CC1(C)C[C@H]([NH3+])C[C@@H](NCc2ccccc2CS(C)(=O)=O)C1 ZINC000925535028 693290707 /nfs/dbraw/zinc/29/07/07/693290707.db2.gz SQAOIUJCXNQMCH-HZPDHXFCSA-N 1 3 324.490 2.227 20 0 DEADHO CC1(C)[C@H](NCCc2cn3c(n2)CCCC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925536277 693291521 /nfs/dbraw/zinc/29/15/21/693291521.db2.gz DVBANGYDSLZNGU-HYVNUMGLSA-N 1 3 302.466 2.128 20 0 DEADHO O=C1CCCCN1CCC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925549466 693294799 /nfs/dbraw/zinc/29/47/99/693294799.db2.gz LITSKJCHUWSZRP-SJORKVTESA-N 1 3 307.482 2.147 20 0 DEADHO O=C(NCCC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1)C1CCC1 ZINC000925577496 693301590 /nfs/dbraw/zinc/30/15/90/693301590.db2.gz SGSDCEVJUKKRAI-SJORKVTESA-N 1 3 307.482 2.051 20 0 DEADHO COC(=O)Nc1ccc(CCN[C@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925579834 693301828 /nfs/dbraw/zinc/30/18/28/693301828.db2.gz HABBLSHOCRZADG-GJZGRUSLSA-N 1 3 303.406 2.267 20 0 DEADHO Cc1ccc(N2CCC[C@H](N[C@H]3C[C@H]([NH3+])CC(C)(C)C3)C2)nn1 ZINC000925619946 693310294 /nfs/dbraw/zinc/31/02/94/693310294.db2.gz CETWBOLCUXKDHM-JYJNAYRXSA-N 1 3 317.481 2.249 20 0 DEADHO c1ccc([C@@H]2C[C@@H](NCCOC3CCOCC3)CC[NH2+]2)cc1 ZINC000925878176 693359045 /nfs/dbraw/zinc/35/90/45/693359045.db2.gz QOZDHJZPYPHVHO-WMZOPIPTSA-N 1 3 304.434 2.265 20 0 DEADHO Nc1ccnc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000925767124 693338364 /nfs/dbraw/zinc/33/83/64/693338364.db2.gz MYROPGGNBIAOGY-AEFFLSMTSA-N 1 3 310.401 2.009 20 0 DEADHO COc1ccc(F)cc1CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000925776342 693339809 /nfs/dbraw/zinc/33/98/09/693339809.db2.gz XAMXBGGMVPRQCA-BRWVUGGUSA-N 1 3 322.424 2.124 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](CO)c1ccc(Cl)cc1 ZINC000926429708 693447225 /nfs/dbraw/zinc/44/72/25/693447225.db2.gz OVVGWJDXNITMLH-QDSSRZTBSA-N 1 3 308.853 2.346 20 0 DEADHO CC(C)CCN1CCC([NH2+]CC(C)(C)[C@]2(O)CCOC2)CC1 ZINC000926638833 693483982 /nfs/dbraw/zinc/48/39/82/693483982.db2.gz RFNJMJFYBVRMBV-SFHVURJKSA-N 1 3 312.498 2.264 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CC2)CC1 ZINC001052376540 693519217 /nfs/dbraw/zinc/51/92/17/693519217.db2.gz HMECICOVHWZZGW-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CC2)CC1 ZINC001052376540 693519221 /nfs/dbraw/zinc/51/92/21/693519221.db2.gz HMECICOVHWZZGW-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO CC[C@H](CN1CCOCC1)[NH2+]C1CCN(CCC(C)C)CC1 ZINC000926899984 693526560 /nfs/dbraw/zinc/52/65/60/693526560.db2.gz VXYCEFCFQOEZDL-QGZVFWFLSA-N 1 3 311.514 2.197 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@H]1CCC[N@H+](CC2CCC2)CC1 ZINC001052716491 693602090 /nfs/dbraw/zinc/60/20/90/693602090.db2.gz NKPRURFSUFPOTL-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC001052716491 693602092 /nfs/dbraw/zinc/60/20/92/693602092.db2.gz NKPRURFSUFPOTL-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[N@@H+](CC2CC(C)C2)CC1 ZINC001052899105 693644279 /nfs/dbraw/zinc/64/42/79/693644279.db2.gz MFMKYBSUMZXPIO-BCLQGDPASA-N 1 3 318.465 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[N@H+](CC2CC(C)C2)CC1 ZINC001052899105 693644284 /nfs/dbraw/zinc/64/42/84/693644284.db2.gz MFMKYBSUMZXPIO-BCLQGDPASA-N 1 3 318.465 2.277 20 0 DEADHO CC[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CC)CC1 ZINC001052992104 693663157 /nfs/dbraw/zinc/66/31/57/693663157.db2.gz BLVOACDHMLTZTA-NRSFXHEJSA-N 1 3 319.493 2.192 20 0 DEADHO CC(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001402245402 1162304709 /nfs/dbraw/zinc/30/47/09/1162304709.db2.gz VPAHPJPNBGBSDO-HOTGVXAUSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001402416379 1162349362 /nfs/dbraw/zinc/34/93/62/1162349362.db2.gz KUSVPSKECSROQB-IRXDYDNUSA-N 1 3 309.498 2.058 20 0 DEADHO CC(C)CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001402417008 1162349766 /nfs/dbraw/zinc/34/97/66/1162349766.db2.gz UECQWWIIEPNAOB-ZJPYXAASSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001402417008 1162349769 /nfs/dbraw/zinc/34/97/69/1162349769.db2.gz UECQWWIIEPNAOB-ZJPYXAASSA-N 1 3 321.509 2.438 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]C[C@@H](O)c2ccc(F)cc2)C[C@@H](C)O1 ZINC001335352024 1150399106 /nfs/dbraw/zinc/39/91/06/1150399106.db2.gz VPKJHWVHIDDCLS-IIDMSEBBSA-N 1 3 324.440 2.338 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001402636020 1162421377 /nfs/dbraw/zinc/42/13/77/1162421377.db2.gz VYRMIBXACBNBEN-IYBDPMFKSA-N 1 3 323.868 2.419 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001402708436 1162446660 /nfs/dbraw/zinc/44/66/60/1162446660.db2.gz YRJUKXXLFCBIEB-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001402817695 1162482599 /nfs/dbraw/zinc/48/25/99/1162482599.db2.gz IJYGKEGTTMAVQG-CVEARBPZSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001402817695 1162482601 /nfs/dbraw/zinc/48/26/01/1162482601.db2.gz IJYGKEGTTMAVQG-CVEARBPZSA-N 1 3 309.498 2.486 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCC3)C2)CCC1 ZINC001379689964 1152673710 /nfs/dbraw/zinc/67/37/10/1152673710.db2.gz XAZVYRSPSDITDR-HOTGVXAUSA-N 1 3 307.482 2.145 20 0 DEADHO Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)CN2CC[C@H](C)C2)cc1 ZINC001379742718 1152686321 /nfs/dbraw/zinc/68/63/21/1152686321.db2.gz MZCCKEHOGLKROR-DLBZAZTESA-N 1 3 317.477 2.273 20 0 DEADHO Cc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)CN2CC[C@H](C)C2)cc1 ZINC001379742718 1152686324 /nfs/dbraw/zinc/68/63/24/1152686324.db2.gz MZCCKEHOGLKROR-DLBZAZTESA-N 1 3 317.477 2.273 20 0 DEADHO CC(C)CCN1CC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001380007788 1152729561 /nfs/dbraw/zinc/72/95/61/1152729561.db2.gz IWMNWTNKFLNLQW-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)N1CCCCCC1 ZINC001380007788 1152729563 /nfs/dbraw/zinc/72/95/63/1152729563.db2.gz IWMNWTNKFLNLQW-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@H](C)N1CCCCCC1 ZINC001380007788 1152729564 /nfs/dbraw/zinc/72/95/64/1152729564.db2.gz IWMNWTNKFLNLQW-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H](CNCc1ccccn1)C(C)(C)C ZINC001380091658 1152749108 /nfs/dbraw/zinc/74/91/08/1152749108.db2.gz VEYRBYHJOIGTPT-INIZCTEOSA-N 1 3 320.481 2.044 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H](CNCc1ccccn1)C(C)(C)C ZINC001380091658 1152749110 /nfs/dbraw/zinc/74/91/10/1152749110.db2.gz VEYRBYHJOIGTPT-INIZCTEOSA-N 1 3 320.481 2.044 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)C)CCN1C(=O)Cc1c[nH]cn1 ZINC001380265483 1152778272 /nfs/dbraw/zinc/77/82/72/1152778272.db2.gz IYFMJYJIJRUSPX-KGLIPLIRSA-N 1 3 306.454 2.358 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+]CC2CC(C)C2)C1 ZINC001380423202 1152810032 /nfs/dbraw/zinc/81/00/32/1152810032.db2.gz LSTWEXLQBATTDK-LEOMRAHMSA-N 1 3 309.498 2.203 20 0 DEADHO CN(C)C1(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CCCC1 ZINC001362124290 1152829562 /nfs/dbraw/zinc/82/95/62/1152829562.db2.gz OWXZCBHMSKPECW-UHFFFAOYSA-N 1 3 319.449 2.440 20 0 DEADHO C[C@@H](CC[NH+](C)C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC001362214702 1152852263 /nfs/dbraw/zinc/85/22/63/1152852263.db2.gz HILYRUYMNLIGCH-FUHWJXTLSA-N 1 3 317.477 2.355 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N(CCN(C)C)C2CCCCC2)CC[N@@H+]1C ZINC001362238928 1152858068 /nfs/dbraw/zinc/85/80/68/1152858068.db2.gz WOLJIQJCKBAGTR-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N(CCN(C)C)C2CCCCC2)CC[N@H+]1C ZINC001362238928 1152858070 /nfs/dbraw/zinc/85/80/70/1152858070.db2.gz WOLJIQJCKBAGTR-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H]1CN(C)CCCN1C(=O)c1cccc(CC[NH+](C)C)c1 ZINC001362486428 1152931735 /nfs/dbraw/zinc/93/17/35/1152931735.db2.gz XAHCGIWMTGCQKD-GOSISDBHSA-N 1 3 317.477 2.347 20 0 DEADHO Cc1ccc(F)c(CN[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001402892118 1162520941 /nfs/dbraw/zinc/52/09/41/1162520941.db2.gz NWCPUIYPTDGUTO-IIAWOOMASA-N 1 3 321.440 2.069 20 0 DEADHO Cc1ccc(F)c(CN[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001402892118 1162520947 /nfs/dbraw/zinc/52/09/47/1162520947.db2.gz NWCPUIYPTDGUTO-IIAWOOMASA-N 1 3 321.440 2.069 20 0 DEADHO CC(C)[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C(C)C)N(C)C ZINC001402897122 1162523321 /nfs/dbraw/zinc/52/33/21/1162523321.db2.gz KFXVITYJVLXFOC-KZNAEPCWSA-N 1 3 317.477 2.353 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(C)cc1)N(C)C ZINC001381590311 1153143244 /nfs/dbraw/zinc/14/32/44/1153143244.db2.gz RCULZQLJZNQPOS-RDJZCZTQSA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(C)cc1)N(C)C ZINC001381590311 1153143246 /nfs/dbraw/zinc/14/32/46/1153143246.db2.gz RCULZQLJZNQPOS-RDJZCZTQSA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@@H](F)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC001381982211 1153303832 /nfs/dbraw/zinc/30/38/32/1153303832.db2.gz WMKCPASVJKPMNY-ZBFHGGJFSA-N 1 3 313.461 2.142 20 0 DEADHO CC[C@@H](F)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC001381982211 1153303840 /nfs/dbraw/zinc/30/38/40/1153303840.db2.gz WMKCPASVJKPMNY-ZBFHGGJFSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC(C)([NH+]3CCCCC3)CC2)C1 ZINC001363322949 1153335796 /nfs/dbraw/zinc/33/57/96/1153335796.db2.gz LCXFNWOKISACNN-INIZCTEOSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C[C@@H]1C ZINC001382317688 1153421726 /nfs/dbraw/zinc/42/17/26/1153421726.db2.gz UGMNZQIGWVHYHR-RDJZCZTQSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001382341237 1153429173 /nfs/dbraw/zinc/42/91/73/1153429173.db2.gz HEWRPELVUPVJRW-IAGOWNOFSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)C[NH+]1CCC(C(=O)N2CC[C@H]3[C@H]2CCCN3C)CC1 ZINC001363906709 1153711932 /nfs/dbraw/zinc/71/19/32/1153711932.db2.gz RSCCIPGPDFNDSV-DLBZAZTESA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1)N(C)C ZINC001389898227 1155465647 /nfs/dbraw/zinc/46/56/47/1155465647.db2.gz JUIJNEDJVSDSFT-STECZYCISA-N 1 3 321.440 2.464 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1)N(C)C ZINC001389901720 1155467268 /nfs/dbraw/zinc/46/72/68/1155467268.db2.gz SVXGDMPCLJGZEE-OSMBCOQSSA-N 1 3 321.440 2.464 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@H+](CC3CCC3)CC[C@H]21 ZINC001389965356 1155484725 /nfs/dbraw/zinc/48/47/25/1155484725.db2.gz WEZSDKARRBOLSA-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@@H+](CC3CCC3)CC[C@H]21 ZINC001389965356 1155484727 /nfs/dbraw/zinc/48/47/27/1155484727.db2.gz WEZSDKARRBOLSA-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001390066431 1155518232 /nfs/dbraw/zinc/51/82/32/1155518232.db2.gz AHPHMBCHZLSREV-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001390542967 1155801097 /nfs/dbraw/zinc/80/10/97/1155801097.db2.gz UONNVNURAHTPMF-KGLIPLIRSA-N 1 3 309.429 2.321 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001390620610 1155816522 /nfs/dbraw/zinc/81/65/22/1155816522.db2.gz VHYHZOYGFLWMNR-SRGUYAIJSA-N 1 3 310.829 2.030 20 0 DEADHO C[C@@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)NC/C=C/Cl ZINC001371360265 1155833413 /nfs/dbraw/zinc/83/34/13/1155833413.db2.gz CGBYENOZJZBTAK-DEYRLNKFSA-N 1 3 323.868 2.251 20 0 DEADHO Cc1cc(F)ccc1C[NH2+][C@@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001371366505 1155835046 /nfs/dbraw/zinc/83/50/46/1155835046.db2.gz WGZXALNNTVWIKL-ZFWWWQNUSA-N 1 3 321.440 2.070 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC001371428454 1155851155 /nfs/dbraw/zinc/85/11/55/1155851155.db2.gz MPTAMPLOPGYLBH-PBHICJAKSA-N 1 3 303.450 2.110 20 0 DEADHO Cc1ccc(C)c(C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001371433456 1155852140 /nfs/dbraw/zinc/85/21/40/1155852140.db2.gz UMSJKBFJCXAREH-WMZOPIPTSA-N 1 3 319.493 2.484 20 0 DEADHO CN(C)C1(C(=O)NCC[N@H+](C)CCCC2CCCC2)CCC1 ZINC001371994469 1156101903 /nfs/dbraw/zinc/10/19/03/1156101903.db2.gz CVRNPQGRKFDIIR-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CN(C)C1(C(=O)NCC[N@@H+](C)CCCC2CCCC2)CCC1 ZINC001371994469 1156101922 /nfs/dbraw/zinc/10/19/22/1156101922.db2.gz CVRNPQGRKFDIIR-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CCCN(C)CC(=O)N1CCC(C[N@H+](C)CC2CCC2)CC1 ZINC001391358718 1156356848 /nfs/dbraw/zinc/35/68/48/1156356848.db2.gz DMKBDMYMPXDAMQ-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CCC(C[N@@H+](C)CC2CCC2)CC1 ZINC001391358718 1156356853 /nfs/dbraw/zinc/35/68/53/1156356853.db2.gz DMKBDMYMPXDAMQ-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccc(C)c(F)c1 ZINC001372478512 1156454039 /nfs/dbraw/zinc/45/40/39/1156454039.db2.gz YJGDQHWZZIGMFJ-MRXNPFEDSA-N 1 3 321.440 2.024 20 0 DEADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccc(C)c(F)c1 ZINC001372478512 1156454075 /nfs/dbraw/zinc/45/40/75/1156454075.db2.gz YJGDQHWZZIGMFJ-MRXNPFEDSA-N 1 3 321.440 2.024 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CCC2)C1)N1CCCCC1 ZINC001391593112 1156575370 /nfs/dbraw/zinc/57/53/70/1156575370.db2.gz CQXUPMVVYSWDCB-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCC2)C1)N1CCCCC1 ZINC001391593112 1156575376 /nfs/dbraw/zinc/57/53/76/1156575376.db2.gz CQXUPMVVYSWDCB-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(F)cc1 ZINC001391692206 1156700644 /nfs/dbraw/zinc/70/06/44/1156700644.db2.gz DCYBTAIYQOWUOK-MRXNPFEDSA-N 1 3 321.440 2.294 20 0 DEADHO CC[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCc1ccns1 ZINC001391695108 1156705842 /nfs/dbraw/zinc/70/58/42/1156705842.db2.gz PLNLHQBDNSKGFY-UONOGXRCSA-N 1 3 324.494 2.002 20 0 DEADHO CC[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCc1ccns1 ZINC001391695108 1156705854 /nfs/dbraw/zinc/70/58/54/1156705854.db2.gz PLNLHQBDNSKGFY-UONOGXRCSA-N 1 3 324.494 2.002 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001391946296 1156839271 /nfs/dbraw/zinc/83/92/71/1156839271.db2.gz AJSDWQQMMOBIJA-GUYCJALGSA-N 1 3 323.456 2.316 20 0 DEADHO CC(C)[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCC(F)(F)F ZINC001392237683 1156906295 /nfs/dbraw/zinc/90/62/95/1156906295.db2.gz SCNXSIUVDZGEAY-CHWSQXEVSA-N 1 3 323.403 2.011 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CCCC2CCC2)C1 ZINC001373288149 1156932459 /nfs/dbraw/zinc/93/24/59/1156932459.db2.gz DMCCXSOOSNILDQ-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCCC2CCC2)C1 ZINC001373288149 1156932485 /nfs/dbraw/zinc/93/24/85/1156932485.db2.gz DMCCXSOOSNILDQ-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001403251993 1162828317 /nfs/dbraw/zinc/82/83/17/1162828317.db2.gz WKWHVRSLRZFCJX-INIZCTEOSA-N 1 3 321.440 2.106 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC2CCC2)C1)N1CCCC1 ZINC001373386902 1157021959 /nfs/dbraw/zinc/02/19/59/1157021959.db2.gz MXFLROLFHLSZTI-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)C1)N1CCCC1 ZINC001373386902 1157021966 /nfs/dbraw/zinc/02/19/66/1157021966.db2.gz MXFLROLFHLSZTI-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](NC(=O)CC[NH+](C)C)C1CN(CCCc2ccsc2)C1 ZINC001403323628 1162851088 /nfs/dbraw/zinc/85/10/88/1162851088.db2.gz LXODQPXPNIKYID-AWEZNQCLSA-N 1 3 323.506 2.069 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)CCc1ccccc1F)N(C)C ZINC001392686514 1157335743 /nfs/dbraw/zinc/33/57/43/1157335743.db2.gz OHRGLIBLNPDOKA-PBHICJAKSA-N 1 3 323.456 2.145 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CCc1ccccc1F)N(C)C ZINC001392686514 1157335753 /nfs/dbraw/zinc/33/57/53/1157335753.db2.gz OHRGLIBLNPDOKA-PBHICJAKSA-N 1 3 323.456 2.145 20 0 DEADHO C[C@H](CN(C)Cc1cccc(F)c1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001392724514 1157372397 /nfs/dbraw/zinc/37/23/97/1157372397.db2.gz OPPOJYAEJITDJU-ZBFHGGJFSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@H](CN(C)Cc1cccc(F)c1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001392724514 1157372404 /nfs/dbraw/zinc/37/24/04/1157372404.db2.gz OPPOJYAEJITDJU-ZBFHGGJFSA-N 1 3 321.440 2.104 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CCN1CCC1CC1)[NH+]1CCCC1 ZINC001392880328 1157504581 /nfs/dbraw/zinc/50/45/81/1157504581.db2.gz SFMNHQBIBXEWAJ-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@@H](C(=O)N[C@@]1(C)CC[N@H+](CCC2CC2)C1)N(CC)CC ZINC001393110292 1157692924 /nfs/dbraw/zinc/69/29/24/1157692924.db2.gz GJUUCBVQPPUQHD-WMZOPIPTSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)N[C@@]1(C)CC[N@@H+](CCC2CC2)C1)N(CC)CC ZINC001393110292 1157692929 /nfs/dbraw/zinc/69/29/29/1157692929.db2.gz GJUUCBVQPPUQHD-WMZOPIPTSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](C[NH2+]CC1CC(C)(C)C1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001374283258 1157801670 /nfs/dbraw/zinc/80/16/70/1157801670.db2.gz RGGAMHXYIZMLNE-LSDHHAIUSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@H](F)CNC[C@H](C)N(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001374306483 1157808479 /nfs/dbraw/zinc/80/84/79/1157808479.db2.gz MJRWOOIGWIMRIX-HOCLYGCPSA-N 1 3 315.477 2.291 20 0 DEADHO C[C@@H](c1cccc(F)c1)N(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374556749 1157898609 /nfs/dbraw/zinc/89/86/09/1157898609.db2.gz SUHQCAVVQFJRJN-GOEBONIOSA-N 1 3 321.440 2.229 20 0 DEADHO C[C@@H](c1cccc(F)c1)N(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001374556749 1157898611 /nfs/dbraw/zinc/89/86/11/1157898611.db2.gz SUHQCAVVQFJRJN-GOEBONIOSA-N 1 3 321.440 2.229 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(C2CC2)cc1)N(C)C ZINC001374815266 1158040210 /nfs/dbraw/zinc/04/02/10/1158040210.db2.gz XUVYUCFDRBWXQE-KDOFPFPSSA-N 1 3 317.477 2.499 20 0 DEADHO CCC(CC)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001393881121 1158043174 /nfs/dbraw/zinc/04/31/74/1158043174.db2.gz MQJZDSVKXOXSGI-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CCC(CC)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001393881121 1158043178 /nfs/dbraw/zinc/04/31/78/1158043178.db2.gz MQJZDSVKXOXSGI-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001374962009 1158131663 /nfs/dbraw/zinc/13/16/63/1158131663.db2.gz BIKBAMAZOBZOGW-UONOGXRCSA-N 1 3 319.440 2.248 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N(C)CC(C)(C)C[NH2+]CC1CC1 ZINC001394025748 1158171449 /nfs/dbraw/zinc/17/14/49/1158171449.db2.gz NMBCMTFMKDZFPL-GJZGRUSLSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)Cc1ccc(F)cc1 ZINC001394120488 1158311935 /nfs/dbraw/zinc/31/19/35/1158311935.db2.gz CHXHZFODKDDOLH-HOCLYGCPSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)Cc1ccc(F)cc1 ZINC001394120488 1158311944 /nfs/dbraw/zinc/31/19/44/1158311944.db2.gz CHXHZFODKDDOLH-HOCLYGCPSA-N 1 3 321.440 2.104 20 0 DEADHO Cc1ccc(F)c(CNC[C@@H](NC(=O)CC[NH+](C)C)C2CC2)c1 ZINC001375249794 1158400940 /nfs/dbraw/zinc/40/09/40/1158400940.db2.gz CYUYPMGBLAEBFY-QGZVFWFLSA-N 1 3 321.440 2.070 20 0 DEADHO CCC[N@H+](C)CCC(=O)NC[C@H]1CCN1CC1CC2(CCC2)C1 ZINC001375370912 1158548378 /nfs/dbraw/zinc/54/83/78/1158548378.db2.gz XIQZFJKXNGABJP-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CCC[N@@H+](C)CCC(=O)NC[C@H]1CCN1CC1CC2(CCC2)C1 ZINC001375370912 1158548385 /nfs/dbraw/zinc/54/83/85/1158548385.db2.gz XIQZFJKXNGABJP-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)[C@H](C(=O)N(C)[C@H](C[NH2+]CC1CCC1)C1CC1)N(C)C ZINC001403539842 1162978342 /nfs/dbraw/zinc/97/83/42/1162978342.db2.gz XFUUAKNSOPBXER-IAGOWNOFSA-N 1 3 309.498 2.199 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1)N(C)C ZINC001375496081 1158770377 /nfs/dbraw/zinc/77/03/77/1158770377.db2.gz BEUJUTNKKZYGGJ-QLFBSQMISA-N 1 3 309.479 2.073 20 0 DEADHO COC(=O)c1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)cc1C ZINC001414118737 1158809832 /nfs/dbraw/zinc/80/98/32/1158809832.db2.gz LHSWAAKGTFBZFY-BHYGNILZSA-N 1 3 302.418 2.211 20 0 DEADHO CCCC[NH+]1CCC(C2(NC(=O)CN3CC[C@@H](C)C3)CC2)CC1 ZINC001394860432 1158816489 /nfs/dbraw/zinc/81/64/89/1158816489.db2.gz NMEUJBHKAVUTFP-MRXNPFEDSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H]1CCN(CC(=O)NC2(C)CC[NH+](CC3CCC3)CC2)C1 ZINC001375778806 1158869426 /nfs/dbraw/zinc/86/94/26/1158869426.db2.gz PZYFZLDAMJMQMG-HNNXBMFYSA-N 1 3 307.482 2.099 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001376405438 1159391488 /nfs/dbraw/zinc/39/14/88/1159391488.db2.gz XTGTXXTXHALYDN-IHRRRGAJSA-N 1 3 317.424 2.000 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H](NCC=C(Cl)Cl)C1)[NH+](C)C ZINC001376469460 1159454420 /nfs/dbraw/zinc/45/44/20/1159454420.db2.gz MTDUZFOFWZSZJI-LOWVWBTDSA-N 1 3 322.280 2.128 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001376495654 1159477678 /nfs/dbraw/zinc/47/76/78/1159477678.db2.gz SWKAZFMKYDZYGY-HDICACEKSA-N 1 3 317.477 2.382 20 0 DEADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CCC(F)(F)F ZINC001376798492 1159804342 /nfs/dbraw/zinc/80/43/42/1159804342.db2.gz GZWOWWUKQUSARZ-NSHDSACASA-N 1 3 311.392 2.011 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001376802381 1159805405 /nfs/dbraw/zinc/80/54/05/1159805405.db2.gz NKLCQKGWMKZLOZ-DOTOQJQBSA-N 1 3 305.466 2.176 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]CCC(C)(C)C)C2)C1 ZINC001397131393 1160009664 /nfs/dbraw/zinc/00/96/64/1160009664.db2.gz VFDYBFWLMPCRNU-JYJNAYRXSA-N 1 3 309.498 2.249 20 0 DEADHO CN(CC(=O)NC[C@H]1CC[C@@H]([NH2+]C/C=C/Cl)C1)C1CCC1 ZINC001397160935 1160025063 /nfs/dbraw/zinc/02/50/63/1160025063.db2.gz UUWXSNONYKGZKJ-IUGWJDQWSA-N 1 3 313.873 2.098 20 0 DEADHO CCCN(C)CC(=O)N1CCCCC[C@@H]([NH2+]CC2CCC2)C1 ZINC001397231784 1160068723 /nfs/dbraw/zinc/06/87/23/1160068723.db2.gz KMBKZLWMCYHQTM-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)[C@H](C(=O)NCC[N@H+](C)[C@@H]1CCc2ccccc21)N(C)C ZINC001377254497 1160082375 /nfs/dbraw/zinc/08/23/75/1160082375.db2.gz JHGKWEXYCMEFLW-QZTJIDSGSA-N 1 3 317.477 2.308 20 0 DEADHO CC(C)[C@H](C(=O)NCC[N@@H+](C)[C@@H]1CCc2ccccc21)N(C)C ZINC001377254497 1160082387 /nfs/dbraw/zinc/08/23/87/1160082387.db2.gz JHGKWEXYCMEFLW-QZTJIDSGSA-N 1 3 317.477 2.308 20 0 DEADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCc2ccccc2F)[C@@H](C)C1 ZINC001377283628 1160120744 /nfs/dbraw/zinc/12/07/44/1160120744.db2.gz LPFRMUCFBOYLAW-YOEHRIQHSA-N 1 3 321.440 2.104 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCc2ccccc2F)[C@@H](C)C1 ZINC001377283628 1160120765 /nfs/dbraw/zinc/12/07/65/1160120765.db2.gz LPFRMUCFBOYLAW-YOEHRIQHSA-N 1 3 321.440 2.104 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2cccc(F)c2)C1)N(C)C ZINC001377469417 1160398958 /nfs/dbraw/zinc/39/89/58/1160398958.db2.gz QVXGFCDMWDUEBI-DOTOQJQBSA-N 1 3 321.440 2.104 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C1)N(C)C ZINC001377469417 1160398965 /nfs/dbraw/zinc/39/89/65/1160398965.db2.gz QVXGFCDMWDUEBI-DOTOQJQBSA-N 1 3 321.440 2.104 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2CCC[N@H+](CC3CC3)[C@H]2C1(C)C ZINC001397748479 1160441015 /nfs/dbraw/zinc/44/10/15/1160441015.db2.gz VODASRCENGBYGY-KBAYOESNSA-N 1 3 321.509 2.343 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2CCC[N@@H+](CC3CC3)[C@H]2C1(C)C ZINC001397748479 1160441020 /nfs/dbraw/zinc/44/10/20/1160441020.db2.gz VODASRCENGBYGY-KBAYOESNSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001377602033 1160580046 /nfs/dbraw/zinc/58/00/46/1160580046.db2.gz NRZOPOHFGSHQAZ-WBVHZDCISA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]([NH2+]CC2CC2)c2ccccc2)C1 ZINC001377613409 1160592852 /nfs/dbraw/zinc/59/28/52/1160592852.db2.gz MOAFJWONLQZOQK-YJBOKZPZSA-N 1 3 315.461 2.185 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001377726575 1160793765 /nfs/dbraw/zinc/79/37/65/1160793765.db2.gz OWWJKKGOVVYPOU-HNNXBMFYSA-N 1 3 323.506 2.417 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001377726575 1160793768 /nfs/dbraw/zinc/79/37/68/1160793768.db2.gz OWWJKKGOVVYPOU-HNNXBMFYSA-N 1 3 323.506 2.417 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]C/C=C/Cl ZINC001398195112 1160814077 /nfs/dbraw/zinc/81/40/77/1160814077.db2.gz BXYZBMMYKMMYQO-LPXAQJHASA-N 1 3 315.889 2.438 20 0 DEADHO Cc1cccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001377827601 1160840295 /nfs/dbraw/zinc/84/02/95/1160840295.db2.gz PKNLWCMQQQYDLB-HZPDHXFCSA-N 1 3 317.477 2.462 20 0 DEADHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@H](C)[NH2+]C/C=C/Cl ZINC001377858472 1160853357 /nfs/dbraw/zinc/85/33/57/1160853357.db2.gz SABQBIJSMWXDER-AHYBDNRGSA-N 1 3 303.878 2.200 20 0 DEADHO CCCN(C)CC(=O)N(C)C1CCC([NH2+]CC2CCC2)CC1 ZINC001377931201 1160874884 /nfs/dbraw/zinc/87/48/84/1160874884.db2.gz ITVKARAIAIUPPX-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C1CCC([NH2+]CC[C@@H](C)F)CC1 ZINC001377932210 1160875232 /nfs/dbraw/zinc/87/52/32/1160875232.db2.gz VONFWPZKPAKRDY-QQFBHYJXSA-N 1 3 315.477 2.434 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H](C[N@H+](C)C/C=C\Cl)C1 ZINC001398471496 1160904550 /nfs/dbraw/zinc/90/45/50/1160904550.db2.gz UYXQSVKDZWRAQX-DDJMYBDESA-N 1 3 315.889 2.251 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H](C[N@@H+](C)C/C=C\Cl)C1 ZINC001398471496 1160904556 /nfs/dbraw/zinc/90/45/56/1160904556.db2.gz UYXQSVKDZWRAQX-DDJMYBDESA-N 1 3 315.889 2.251 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]C/C=C\c1ccccc1 ZINC001399023586 1161193671 /nfs/dbraw/zinc/19/36/71/1161193671.db2.gz LNVWPBSFNQKCRY-REEAJDFCSA-N 1 3 315.461 2.136 20 0 DEADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccc(C)cc1 ZINC001400912532 1161845089 /nfs/dbraw/zinc/84/50/89/1161845089.db2.gz HWYZJHXJCRKZEC-KRWDZBQOSA-N 1 3 305.466 2.320 20 0 DEADHO CC[C@H](F)C[NH2+]C1(CNC(=O)[C@H](C(C)C)N(C)C)CCCC1 ZINC001401183098 1161888786 /nfs/dbraw/zinc/88/87/86/1161888786.db2.gz KSOQEHFZAZCADK-GJZGRUSLSA-N 1 3 315.477 2.339 20 0 DEADHO C[C@@H](C[NH2+]CC1CC(C)(C)C1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001401220553 1161897396 /nfs/dbraw/zinc/89/73/96/1161897396.db2.gz MYIALUSSRCHPBV-AWEZNQCLSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[N@H+](C)CCC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001401305403 1161922598 /nfs/dbraw/zinc/92/25/98/1161922598.db2.gz PJJGNVPLRNATTN-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[N@@H+](C)CCC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001401305403 1161922600 /nfs/dbraw/zinc/92/26/00/1161922600.db2.gz PJJGNVPLRNATTN-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H](NC1(CNC(=O)CC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001401964431 1162199355 /nfs/dbraw/zinc/19/93/55/1162199355.db2.gz QBNNTGNYWJTWBE-ZDUSSCGKSA-N 1 3 307.413 2.077 20 0 DEADHO C[C@@H](NC1(CNC(=O)CC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001401964423 1162199537 /nfs/dbraw/zinc/19/95/37/1162199537.db2.gz QBNNTGNYWJTWBE-CYBMUJFWSA-N 1 3 307.413 2.077 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C[NH2+]CC1CCC1)C1CCCC1)N(C)C ZINC001402125719 1162255800 /nfs/dbraw/zinc/25/58/00/1162255800.db2.gz LNRJDWBCIDUDBT-SJORKVTESA-N 1 3 309.498 2.391 20 0 DEADHO CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001402206218 1162287048 /nfs/dbraw/zinc/28/70/48/1162287048.db2.gz FXRNFOHUYHHMGO-AEFFLSMTSA-N 1 3 309.498 2.489 20 0 DEADHO CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001402206218 1162287054 /nfs/dbraw/zinc/28/70/54/1162287054.db2.gz FXRNFOHUYHHMGO-AEFFLSMTSA-N 1 3 309.498 2.489 20 0 DEADHO CCN(C(=O)CN1CC[C@@H](C)C1)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001405173993 1163990930 /nfs/dbraw/zinc/99/09/30/1163990930.db2.gz BUPSQNFTZRBNAC-WBVHZDCISA-N 1 3 307.482 2.051 20 0 DEADHO CCN(C(=O)CN1CC[C@@H](C)C1)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001405173993 1163990941 /nfs/dbraw/zinc/99/09/41/1163990941.db2.gz BUPSQNFTZRBNAC-WBVHZDCISA-N 1 3 307.482 2.051 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccccc1 ZINC001405896308 1164319089 /nfs/dbraw/zinc/31/90/89/1164319089.db2.gz BYORRCKSTYREQL-SJLPKXTDSA-N 1 3 317.477 2.498 20 0 DEADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C)cc1 ZINC001405902820 1164324200 /nfs/dbraw/zinc/32/42/00/1164324200.db2.gz QOJYJLOMJIXUKF-INIZCTEOSA-N 1 3 305.466 2.273 20 0 DEADHO CC(C)[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccccc1 ZINC001406050778 1164408772 /nfs/dbraw/zinc/40/87/72/1164408772.db2.gz XDXHEJAIIIFQNM-FUHWJXTLSA-N 1 3 317.477 2.259 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCC2CC2)C1 ZINC001406170994 1164490896 /nfs/dbraw/zinc/49/08/96/1164490896.db2.gz BMNPJRFLAXNINE-IRXDYDNUSA-N 1 3 307.482 2.051 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCC2CC2)C1 ZINC001406170994 1164490900 /nfs/dbraw/zinc/49/09/00/1164490900.db2.gz BMNPJRFLAXNINE-IRXDYDNUSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@H](F)CNC[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001406370163 1164556641 /nfs/dbraw/zinc/55/66/41/1164556641.db2.gz RTLANJUNNVLPAG-CABCVRRESA-N 1 3 315.477 2.341 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1cc(C)cc(C)c1)N(C)C ZINC001406414397 1164580519 /nfs/dbraw/zinc/58/05/19/1164580519.db2.gz BFEIBVCPBPDLBJ-NVXWUHKLSA-N 1 3 305.466 2.238 20 0 DEADHO Cc1cc(CN(C)C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)c(C)s1 ZINC001406713971 1164806316 /nfs/dbraw/zinc/80/63/16/1164806316.db2.gz YYOZJPFVHOUPKW-IUODEOHRSA-N 1 3 323.506 2.253 20 0 DEADHO Cc1cc(CN(C)C[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)c(C)s1 ZINC001406713971 1164806318 /nfs/dbraw/zinc/80/63/18/1164806318.db2.gz YYOZJPFVHOUPKW-IUODEOHRSA-N 1 3 323.506 2.253 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CC1 ZINC001407013112 1164923172 /nfs/dbraw/zinc/92/31/72/1164923172.db2.gz WOPFIGCCSNTEKR-HNNXBMFYSA-N 1 3 303.450 2.326 20 0 DEADHO Cc1cccc(C[NH2+]C2(CNC(=O)CN(C)C(C)C)CC2)c1 ZINC001407010462 1164923373 /nfs/dbraw/zinc/92/33/73/1164923373.db2.gz RUNKJXBORKEXRV-UHFFFAOYSA-N 1 3 303.450 2.074 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]C1(CNC(=O)CN(C)C(C)C)CC1 ZINC001407012036 1164923503 /nfs/dbraw/zinc/92/35/03/1164923503.db2.gz VLLOCTCFRBDJHL-UHFFFAOYSA-N 1 3 321.440 2.213 20 0 DEADHO CC(C)[NH+]1CCC(C)(CNC(=O)C(C)(C)N2CCCC2)CC1 ZINC001407270651 1165077039 /nfs/dbraw/zinc/07/70/39/1165077039.db2.gz BJHMAMOBGFKFHT-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[NH+](CCC1CC1)CC2 ZINC001407711876 1165268021 /nfs/dbraw/zinc/26/80/21/1165268021.db2.gz FOBDNBFMYFTETE-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO Cc1ccc(F)c(CNC2(CNC(=O)CC[NH+](C)C)CCC2)c1 ZINC001407793812 1165314346 /nfs/dbraw/zinc/31/43/46/1165314346.db2.gz FLAOWVJICOKTEG-UHFFFAOYSA-N 1 3 321.440 2.214 20 0 DEADHO CC(C)(C)CC[C@@H]([NH3+])CNCC(C)(C)[C@@]1(O)CCCOC1 ZINC001575131399 1166865006 /nfs/dbraw/zinc/86/50/06/1166865006.db2.gz UJOSYJXCEMLOTO-RHSMWYFYSA-N 1 3 300.487 2.297 20 0 DEADHO CN(C[C@H]1CCN1[C@@H]1CCc2ccccc21)C(=O)CC[NH+](C)C ZINC001417757019 1167191111 /nfs/dbraw/zinc/19/11/11/1167191111.db2.gz SAULWSVMMGDQRV-SJLPKXTDSA-N 1 3 315.461 2.158 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001417802430 1167223555 /nfs/dbraw/zinc/22/35/55/1167223555.db2.gz XFSWHFKIBCIIKW-JCNLHEQBSA-N 1 3 321.440 2.152 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCc1cccs1 ZINC001418229429 1167505812 /nfs/dbraw/zinc/50/58/12/1167505812.db2.gz KUFPMSHKQRSCQJ-ZBFHGGJFSA-N 1 3 323.506 2.259 20 0 DEADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001418427205 1167647413 /nfs/dbraw/zinc/64/74/13/1167647413.db2.gz PLICMFRCZGJJSC-PBHICJAKSA-N 1 3 323.456 2.459 20 0 DEADHO CN(CCNC(=O)CC[NH+](C)C)[C@@H]1CCCc2ccc(F)cc21 ZINC001418492462 1167707847 /nfs/dbraw/zinc/70/78/47/1167707847.db2.gz SFELDBPHFZJRFW-QGZVFWFLSA-N 1 3 321.440 2.203 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[N@H+](C)[C@H]2CCc3ccccc32)C1 ZINC001418493946 1167713444 /nfs/dbraw/zinc/71/34/44/1167713444.db2.gz IUFOEBGETPAXSE-YJBOKZPZSA-N 1 3 315.461 2.064 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC[N@@H+](C)[C@H]2CCc3ccccc32)C1 ZINC001418493946 1167713453 /nfs/dbraw/zinc/71/34/53/1167713453.db2.gz IUFOEBGETPAXSE-YJBOKZPZSA-N 1 3 315.461 2.064 20 0 DEADHO CCc1cccc(CN(CC)CCNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001418577345 1167823562 /nfs/dbraw/zinc/82/35/62/1167823562.db2.gz ZYZRCMBVKRNTDH-GOSISDBHSA-N 1 3 317.477 2.139 20 0 DEADHO CCc1cccc(CN(CC)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001418577345 1167823563 /nfs/dbraw/zinc/82/35/63/1167823563.db2.gz ZYZRCMBVKRNTDH-GOSISDBHSA-N 1 3 317.477 2.139 20 0 DEADHO CC(C)N(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001419464640 1168509340 /nfs/dbraw/zinc/50/93/40/1168509340.db2.gz RWHNWNBQUGULER-ALOPSCKCSA-N 1 3 307.482 2.238 20 0 DEADHO CC(C)N(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001419464640 1168509349 /nfs/dbraw/zinc/50/93/49/1168509349.db2.gz RWHNWNBQUGULER-ALOPSCKCSA-N 1 3 307.482 2.238 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]C/C=C\c1ccccc1)N(C)C ZINC001419777555 1168842293 /nfs/dbraw/zinc/84/22/93/1168842293.db2.gz SYFWBLUPYNLLFD-GBDOQOGUSA-N 1 3 303.450 2.134 20 0 DEADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccccc1F)N(C)C ZINC001420140685 1169193088 /nfs/dbraw/zinc/19/30/88/1169193088.db2.gz SOYQEMDDBYJHQN-CJNGLKHVSA-N 1 3 309.429 2.150 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[N@H+](CCC3CCCC3)C2)C1 ZINC001420551899 1169780261 /nfs/dbraw/zinc/78/02/61/1169780261.db2.gz VIUVWCXOATVDDU-SJLPKXTDSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001420551899 1169780271 /nfs/dbraw/zinc/78/02/71/1169780271.db2.gz VIUVWCXOATVDDU-SJLPKXTDSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CC[N@H+](CCC3CCCC3)C2)C1 ZINC001420551891 1169781408 /nfs/dbraw/zinc/78/14/08/1169781408.db2.gz VIUVWCXOATVDDU-AEFFLSMTSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001420551891 1169781427 /nfs/dbraw/zinc/78/14/27/1169781427.db2.gz VIUVWCXOATVDDU-AEFFLSMTSA-N 1 3 321.509 2.347 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]C/C=C/Cl)C1 ZINC001420967189 1171386893 /nfs/dbraw/zinc/38/68/93/1171386893.db2.gz VLUKNVBRLJLQLD-AOEIMKSNSA-N 1 3 313.873 2.194 20 0 DEADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1cc(F)ccc1C ZINC001421501997 1171824645 /nfs/dbraw/zinc/82/46/45/1171824645.db2.gz RVAIOGZIFQWWSS-KRWDZBQOSA-N 1 3 323.456 2.459 20 0 DEADHO C[NH+](C)CCC(=O)N[C@H]1CC[C@H](NC/C(Cl)=C\Cl)CC1 ZINC001421593609 1171861849 /nfs/dbraw/zinc/86/18/49/1171861849.db2.gz OHVXOIKSNSDJFZ-WNMRZGSGSA-N 1 3 322.280 2.274 20 0 DEADHO Cc1cccc(C[NH2+]C[C@@H](C)CNC(=O)CN(C)C(C)C)c1 ZINC001421770055 1171981470 /nfs/dbraw/zinc/98/14/70/1171981470.db2.gz YUNMHQWCWMUMEH-MRXNPFEDSA-N 1 3 305.466 2.177 20 0 DEADHO CN(CCC[N@H+](C)CC1CCCCC1)C(=O)[C@H]1CCCN1C ZINC001421838776 1172033567 /nfs/dbraw/zinc/03/35/67/1172033567.db2.gz JRBOADORSCYSDF-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CN(CCC[N@@H+](C)CC1CCCCC1)C(=O)[C@H]1CCCN1C ZINC001421838776 1172033577 /nfs/dbraw/zinc/03/35/77/1172033577.db2.gz JRBOADORSCYSDF-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO Cc1cccc(CN(C)CCN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)c1 ZINC001422202548 1172389488 /nfs/dbraw/zinc/38/94/88/1172389488.db2.gz WYPYOTCGICGAOP-QGZVFWFLSA-N 1 3 317.477 2.227 20 0 DEADHO Cc1cccc(CN(C)CCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC001422202548 1172389495 /nfs/dbraw/zinc/38/94/95/1172389495.db2.gz WYPYOTCGICGAOP-QGZVFWFLSA-N 1 3 317.477 2.227 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001422244958 1172434390 /nfs/dbraw/zinc/43/43/90/1172434390.db2.gz PJPNEJGHKDXDIL-ROUUACIJSA-N 1 3 321.509 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001422244958 1172434395 /nfs/dbraw/zinc/43/43/95/1172434395.db2.gz PJPNEJGHKDXDIL-ROUUACIJSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H](C)[NH2+]CCc1cccs1 ZINC001422319133 1172486650 /nfs/dbraw/zinc/48/66/50/1172486650.db2.gz HFDUOERKNDDVGG-ZIAGYGMSSA-N 1 3 323.506 2.258 20 0 DEADHO Cc1cc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)cs1 ZINC001422545797 1172694805 /nfs/dbraw/zinc/69/48/05/1172694805.db2.gz ANNQHXDZEZAEPH-IUODEOHRSA-N 1 3 311.495 2.237 20 0 DEADHO CCc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001422697036 1172814920 /nfs/dbraw/zinc/81/49/20/1172814920.db2.gz QAEKIDJFUIQBSL-MAUKXSAKSA-N 1 3 319.493 2.430 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001422935573 1172956214 /nfs/dbraw/zinc/95/62/14/1172956214.db2.gz MCTOANUTRGBYLZ-HZPDHXFCSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CC1CCCCC1 ZINC001423077409 1173060846 /nfs/dbraw/zinc/06/08/46/1173060846.db2.gz OQUQLZVWDWAMRR-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)(C)CCCN1CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001423088114 1173067154 /nfs/dbraw/zinc/06/71/54/1173067154.db2.gz DQEMQZPWIZLCFW-DLBZAZTESA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1[C@H](NCC=C(Cl)Cl)CCN1C(=O)CCC[NH+](C)C ZINC001423327511 1173244982 /nfs/dbraw/zinc/24/49/82/1173244982.db2.gz PDINXIPXOJLTPV-VXGBXAGGSA-N 1 3 322.280 2.226 20 0 DEADHO C[C@H]1[C@H](NCC=C(Cl)Cl)CCN1C(=O)CCC[NH+](C)C ZINC001423327510 1173246634 /nfs/dbraw/zinc/24/66/34/1173246634.db2.gz PDINXIPXOJLTPV-NWDGAFQWSA-N 1 3 322.280 2.226 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCc2ccccc2)[C@H]1C ZINC001423334799 1173255177 /nfs/dbraw/zinc/25/51/77/1173255177.db2.gz ZJUYKBLFVRJNCE-AEFFLSMTSA-N 1 3 317.477 2.150 20 0 DEADHO C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCCN1Cc1ccccc1 ZINC001423377054 1173315551 /nfs/dbraw/zinc/31/55/51/1173315551.db2.gz WFZXZXUTPTZOJO-RDJZCZTQSA-N 1 3 303.450 2.107 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001423416743 1173339652 /nfs/dbraw/zinc/33/96/52/1173339652.db2.gz KPMZMQRXJVCQBR-GOEBONIOSA-N 1 3 323.506 2.464 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1CCCN(C/C=C/Cl)CC1 ZINC001424255473 1173716578 /nfs/dbraw/zinc/71/65/78/1173716578.db2.gz CGKPKHMVCCGUJW-KVEVGEHQSA-N 1 3 301.862 2.051 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCCN(C/C=C/Cl)CC1 ZINC001424255473 1173716584 /nfs/dbraw/zinc/71/65/84/1173716584.db2.gz CGKPKHMVCCGUJW-KVEVGEHQSA-N 1 3 301.862 2.051 20 0 DEADHO CN(CCCN(C)C(=O)C1(C[NH+](C)C)CC1)CCC(F)(F)F ZINC001424302081 1173747794 /nfs/dbraw/zinc/74/77/94/1173747794.db2.gz XKEADNBMMTWXEN-UHFFFAOYSA-N 1 3 323.403 2.061 20 0 DEADHO CC1CCN(CC(=O)N(C)CCC[N@H+](C)CCC2CC2)CC1 ZINC001424322776 1173759423 /nfs/dbraw/zinc/75/94/23/1173759423.db2.gz AKWOCTZNLLWFIC-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CC1CCN(CC(=O)N(C)CCC[N@@H+](C)CCC2CC2)CC1 ZINC001424322776 1173759428 /nfs/dbraw/zinc/75/94/28/1173759428.db2.gz AKWOCTZNLLWFIC-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CCc1cccs1 ZINC001424862610 1173996330 /nfs/dbraw/zinc/99/63/30/1173996330.db2.gz VCTAVSUJZKRGGH-KBPBESRZSA-N 1 3 311.495 2.114 20 0 DEADHO C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)Cc1cccc(F)c1 ZINC001425059301 1174153771 /nfs/dbraw/zinc/15/37/71/1174153771.db2.gz RJAWPOJAIFUTAY-GOEBONIOSA-N 1 3 321.440 2.104 20 0 DEADHO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)Cc1cccc(F)c1 ZINC001425059301 1174153791 /nfs/dbraw/zinc/15/37/91/1174153791.db2.gz RJAWPOJAIFUTAY-GOEBONIOSA-N 1 3 321.440 2.104 20 0 DEADHO CC[C@H](F)CN1CCCCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001425188122 1174216794 /nfs/dbraw/zinc/21/67/94/1174216794.db2.gz AIEZYKVNAZBZSQ-JKSUJKDBSA-N 1 3 315.477 2.437 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001425598942 1174392716 /nfs/dbraw/zinc/39/27/16/1174392716.db2.gz UJWPFTNFOYTAGJ-YOEHRIQHSA-N 1 3 323.456 2.348 20 0 DEADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1C ZINC001425682416 1174457390 /nfs/dbraw/zinc/45/73/90/1174457390.db2.gz PEDCVRVYDHOXPZ-MRXNPFEDSA-N 1 3 305.466 2.273 20 0 DEADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC001425682522 1174457577 /nfs/dbraw/zinc/45/75/77/1174457577.db2.gz PLYDVWCKLPNHIL-QAPCUYQASA-N 1 3 317.477 2.452 20 0 DEADHO Cc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)CN(C)C(C)C)c1 ZINC001425692270 1174462974 /nfs/dbraw/zinc/46/29/74/1174462974.db2.gz HGKSGBXVZRKPIB-INIZCTEOSA-N 1 3 305.466 2.272 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(F)cc2)C[C@H]1C ZINC001425896091 1174503773 /nfs/dbraw/zinc/50/37/73/1174503773.db2.gz UCJIJWWXCMGMKP-RHSMWYFYSA-N 1 3 321.440 2.245 20 0 DEADHO CC[NH+]1CCC([C@H](C)NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001426195254 1174641076 /nfs/dbraw/zinc/64/10/76/1174641076.db2.gz VMMAPSZYVIUVIW-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CCN1CCC(C[N@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC001434519602 1178743533 /nfs/dbraw/zinc/74/35/33/1178743533.db2.gz GTPHFNFNBYCXDU-CVEARBPZSA-N 1 3 316.511 2.006 20 0 DEADHO CCN1CCC(C[N@@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC001434519602 1178743568 /nfs/dbraw/zinc/74/35/68/1178743568.db2.gz GTPHFNFNBYCXDU-CVEARBPZSA-N 1 3 316.511 2.006 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+]CC2SCCS2)CC1 ZINC001434534897 1178800503 /nfs/dbraw/zinc/80/05/03/1178800503.db2.gz SIRYPZAGKVDHQL-UHFFFAOYSA-N 1 3 316.536 2.416 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CC2)C1 ZINC001436370169 1179066449 /nfs/dbraw/zinc/06/64/49/1179066449.db2.gz VWBFTJXDDRIZBA-MDBPOYHNSA-N 1 3 307.482 2.144 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]([NH2+]Cc1ccccc1F)C1CC1 ZINC001436834092 1179270863 /nfs/dbraw/zinc/27/08/63/1179270863.db2.gz QJEFUFQKOYOSOD-KRWDZBQOSA-N 1 3 321.440 2.150 20 0 DEADHO CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001437059469 1179379623 /nfs/dbraw/zinc/37/96/23/1179379623.db2.gz AELFCWABZJHGEP-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001437059469 1179379631 /nfs/dbraw/zinc/37/96/31/1179379631.db2.gz AELFCWABZJHGEP-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001437153935 1179492717 /nfs/dbraw/zinc/49/27/17/1179492717.db2.gz KFBFBCHQFCRANA-FUHWJXTLSA-N 1 3 317.477 2.464 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)CC2CC(C)C2)C1 ZINC001438002771 1180150911 /nfs/dbraw/zinc/15/09/11/1180150911.db2.gz RLBFCRJCUCETLT-AQFXKWCLSA-N 1 3 309.498 2.155 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)CC2CC(C)C2)C1 ZINC001438002771 1180150926 /nfs/dbraw/zinc/15/09/26/1180150926.db2.gz RLBFCRJCUCETLT-AQFXKWCLSA-N 1 3 309.498 2.155 20 0 DEADHO CC[C@H](C(=O)NCC1C[NH+](CC2CCCCCC2)C1)N(C)C ZINC001438129724 1180207935 /nfs/dbraw/zinc/20/79/35/1180207935.db2.gz WSWMYAPVOUIRMU-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]CC1CC2(CCC2)C1 ZINC001438532987 1180556455 /nfs/dbraw/zinc/55/64/55/1180556455.db2.gz QYFIVLWZXYAXTN-CVEARBPZSA-N 1 3 321.509 2.250 20 0 DEADHO CC(C)[C@@H](CNC(=O)[C@@H]1CCCN1C(C)C)[NH2+]CCC1CC1 ZINC001438802993 1180816908 /nfs/dbraw/zinc/81/69/08/1180816908.db2.gz KHVNGNJACPDXHV-SJORKVTESA-N 1 3 309.498 2.390 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001440221808 1181387966 /nfs/dbraw/zinc/38/79/66/1181387966.db2.gz SSOHWYXELAXAPJ-ULQDDVLXSA-N 1 3 311.514 2.493 20 0 DEADHO CC(C)CCN1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001440229972 1181392553 /nfs/dbraw/zinc/39/25/53/1181392553.db2.gz MPSZCPGRGAVZDW-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)N1CCCC1 ZINC001440229972 1181392554 /nfs/dbraw/zinc/39/25/54/1181392554.db2.gz MPSZCPGRGAVZDW-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)N1CCCC1 ZINC001440229972 1181392556 /nfs/dbraw/zinc/39/25/56/1181392556.db2.gz MPSZCPGRGAVZDW-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001440313600 1181443209 /nfs/dbraw/zinc/44/32/09/1181443209.db2.gz NMAQUIBRTBIQNQ-VQHPVUNQSA-N 1 3 309.498 2.390 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001440315569 1181444904 /nfs/dbraw/zinc/44/49/04/1181444904.db2.gz FIEOFUJSEBWPKI-CALCHBBNSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1([NH2+]C/C=C/Cl)CCC1 ZINC001440356362 1181463004 /nfs/dbraw/zinc/46/30/04/1181463004.db2.gz PLKUXNRICPJDQE-SYVBBQGSSA-N 1 3 313.873 2.240 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CN2CC[C@@H](C)C2)cc1 ZINC001441592251 1182079297 /nfs/dbraw/zinc/07/92/97/1182079297.db2.gz FYNSVTBDCSXHMW-SJORKVTESA-N 1 3 317.477 2.273 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+]CCc1ccccc1F ZINC001441647884 1182111587 /nfs/dbraw/zinc/11/15/87/1182111587.db2.gz CVHFOPIBASDEAT-HNNXBMFYSA-N 1 3 323.456 2.145 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CN(C)C(C)C)cc1 ZINC001441659185 1182117181 /nfs/dbraw/zinc/11/71/81/1182117181.db2.gz RLEKXEXBSOAURB-MRXNPFEDSA-N 1 3 305.466 2.272 20 0 DEADHO C[C@@H]1C[C@H](NC/C=C/Cl)CN1C(=O)CC[NH+]1CCCCC1 ZINC001441835031 1182205440 /nfs/dbraw/zinc/20/54/40/1182205440.db2.gz MJTYMTXEJNVKTN-ZWXLGZMVSA-N 1 3 313.873 2.194 20 0 DEADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001441848472 1182213275 /nfs/dbraw/zinc/21/32/75/1182213275.db2.gz YVIOLOCWBHRTJS-KBPBESRZSA-N 1 3 321.440 2.465 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccc(CF)cc1 ZINC001441953140 1182266408 /nfs/dbraw/zinc/26/64/08/1182266408.db2.gz REFCYHUWASUGQX-GJZGRUSLSA-N 1 3 321.440 2.092 20 0 DEADHO Cc1cc(F)ccc1C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001442112415 1182326394 /nfs/dbraw/zinc/32/63/94/1182326394.db2.gz REMQGIOJCMODCD-KRWDZBQOSA-N 1 3 321.440 2.165 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccccc2F)C1 ZINC001442141436 1182342613 /nfs/dbraw/zinc/34/26/13/1182342613.db2.gz BNQPQBWASYXGEN-OAHLLOKOSA-N 1 3 321.440 2.104 20 0 DEADHO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)CN(C)C(C)C)C2)cc1 ZINC001442904113 1182785219 /nfs/dbraw/zinc/78/52/19/1182785219.db2.gz JCWDATMTHFDZHU-GOSISDBHSA-N 1 3 317.477 2.273 20 0 DEADHO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)CN(C)C(C)C)C2)cc1 ZINC001442904113 1182785231 /nfs/dbraw/zinc/78/52/31/1182785231.db2.gz JCWDATMTHFDZHU-GOSISDBHSA-N 1 3 317.477 2.273 20 0 DEADHO CCC[N@H+](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001442949514 1182808414 /nfs/dbraw/zinc/80/84/14/1182808414.db2.gz ADXZMEGJCAVIKA-KRWDZBQOSA-N 1 3 315.477 2.436 20 0 DEADHO CCC[N@@H+](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001442949514 1182808419 /nfs/dbraw/zinc/80/84/19/1182808419.db2.gz ADXZMEGJCAVIKA-KRWDZBQOSA-N 1 3 315.477 2.436 20 0 DEADHO CC(C)N1C[C@@H]2C[C@H]1CN2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001443661564 1183072306 /nfs/dbraw/zinc/07/23/06/1183072306.db2.gz HMZKIWXOSHRZNR-IRXDYDNUSA-N 1 3 307.482 2.335 20 0 DEADHO CC(C)N1C[C@@H]2C[C@H]1CN2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001443661564 1183072316 /nfs/dbraw/zinc/07/23/16/1183072316.db2.gz HMZKIWXOSHRZNR-IRXDYDNUSA-N 1 3 307.482 2.335 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)NCc1cncs1 ZINC001443939062 1183213293 /nfs/dbraw/zinc/21/32/93/1183213293.db2.gz YNUHFHVZRLPJIJ-ZFWWWQNUSA-N 1 3 324.494 2.002 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)NCc1cncs1 ZINC001443939062 1183213294 /nfs/dbraw/zinc/21/32/94/1183213294.db2.gz YNUHFHVZRLPJIJ-ZFWWWQNUSA-N 1 3 324.494 2.002 20 0 DEADHO CC(C)CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001444551310 1183448569 /nfs/dbraw/zinc/44/85/69/1183448569.db2.gz XUZHPHDPDPWVKD-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](F)CNC[C@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001444723407 1183532130 /nfs/dbraw/zinc/53/21/30/1183532130.db2.gz PEWUVPCWVWBCKR-GJZGRUSLSA-N 1 3 301.450 2.047 20 0 DEADHO CN(CC(=O)N1CCC(CC[N@H+](C)CCF)CC1)C1CCC1 ZINC001444824894 1183574037 /nfs/dbraw/zinc/57/40/37/1183574037.db2.gz YHTLQSWVNXWLMD-UHFFFAOYSA-N 1 3 313.461 2.001 20 0 DEADHO CN(CC(=O)N1CCC(CC[N@@H+](C)CCF)CC1)C1CCC1 ZINC001444824894 1183574042 /nfs/dbraw/zinc/57/40/42/1183574042.db2.gz YHTLQSWVNXWLMD-UHFFFAOYSA-N 1 3 313.461 2.001 20 0 DEADHO Cc1cccc(CN(C)CCN(C)C(=O)C2(C[NH+](C)C)CC2)c1 ZINC001445025615 1183720417 /nfs/dbraw/zinc/72/04/17/1183720417.db2.gz CFMYCSFORDPABX-UHFFFAOYSA-N 1 3 317.477 2.227 20 0 DEADHO CC[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1[NH2+]CCC1CC1 ZINC001446000913 1184170250 /nfs/dbraw/zinc/17/02/50/1184170250.db2.gz APGZHOBGFKRATL-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](C(=O)NC[C@@H]1CCN1CCC1CC1)[NH+]1CCCCCC1 ZINC001446095316 1184223427 /nfs/dbraw/zinc/22/34/27/1184223427.db2.gz GMUWBAHRLJPFTI-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@H](F)CN1CC[C@H]2[C@@H]1CCCN2C(=O)CC[N@H+](C)CC ZINC001447039429 1184614629 /nfs/dbraw/zinc/61/46/29/1184614629.db2.gz KDLDXVLFSCHRPA-JYJNAYRXSA-N 1 3 313.461 2.142 20 0 DEADHO CC[C@H](F)CN1CC[C@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001447039429 1184614633 /nfs/dbraw/zinc/61/46/33/1184614633.db2.gz KDLDXVLFSCHRPA-JYJNAYRXSA-N 1 3 313.461 2.142 20 0 DEADHO CN(CC(=O)NCC1([NH2+]C/C=C/Cl)CCC1)CC(C)(C)C ZINC001447237664 1184687247 /nfs/dbraw/zinc/68/72/47/1184687247.db2.gz LYHMOWRPXWPRPM-RMKNXTFCSA-N 1 3 315.889 2.345 20 0 DEADHO CCC1([NH2+]CC[C@H](C)F)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001447432240 1184772462 /nfs/dbraw/zinc/77/24/62/1184772462.db2.gz YUXTUWXQQXZKLX-ZDUSSCGKSA-N 1 3 310.417 2.061 20 0 DEADHO CC(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001447771299 1184866839 /nfs/dbraw/zinc/86/68/39/1184866839.db2.gz GMQXMIXUQJLQJW-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001447771299 1184866845 /nfs/dbraw/zinc/86/68/45/1184866845.db2.gz GMQXMIXUQJLQJW-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CN(CC(C)(C)C[NH2+]Cc1ccsc1)C(=O)Cc1c[nH]cn1 ZINC001447972282 1184984818 /nfs/dbraw/zinc/98/48/18/1184984818.db2.gz LLVSUMYKVBGSAR-UHFFFAOYSA-N 1 3 320.462 2.288 20 0 DEADHO C[C@@H]1[C@@H]([NH2+]C/C=C/c2ccccc2)CCN1C(=O)Cc1c[nH]cn1 ZINC001448976644 1185468744 /nfs/dbraw/zinc/46/87/44/1185468744.db2.gz GMNUQUMUKVFAEH-BCCPEAIHSA-N 1 3 324.428 2.245 20 0 DEADHO c1cc(N2CCC(C3C[NH2+]C3)CC2)ncc1CN1CCCC1 ZINC001164616289 719037180 /nfs/dbraw/zinc/03/71/80/719037180.db2.gz VYTHJHPRGOTPLO-UHFFFAOYSA-N 1 3 300.450 2.113 20 0 DEADHO CCCC[N@@H+](C)CCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001406132770 1164467997 /nfs/dbraw/zinc/46/79/97/1164467997.db2.gz WJBZRWRPOCXJDX-KRWDZBQOSA-N 1 3 315.477 2.389 20 0 DEADHO CCc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H](CC)N(C)C)C2)c1 ZINC001370681328 1149827458 /nfs/dbraw/zinc/82/74/58/1149827458.db2.gz SBZDWRQTYWTKEP-KSZLIROESA-N 1 3 317.477 2.326 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CC[N@H+](CC1=CCCCC1)C2)N(C)C ZINC001072849758 790272148 /nfs/dbraw/zinc/27/21/48/790272148.db2.gz KVKIHENWJDIIPT-QGZVFWFLSA-N 1 3 319.493 2.361 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](CC1=CCCCC1)C2)N(C)C ZINC001072849758 790272151 /nfs/dbraw/zinc/27/21/51/790272151.db2.gz KVKIHENWJDIIPT-QGZVFWFLSA-N 1 3 319.493 2.361 20 0 DEADHO [NH3+][C@@H]1CCCN(Cc2ccc(N3CCC(O)CC3)s2)CC1 ZINC001205103074 782499145 /nfs/dbraw/zinc/49/91/45/782499145.db2.gz YCBPFINGIGLDHS-CYBMUJFWSA-N 1 3 309.479 2.022 20 0 DEADHO CC(C)(C(=O)NCC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)N1CCCCC1 ZINC001127321944 782655727 /nfs/dbraw/zinc/65/57/27/782655727.db2.gz HRXLQEIIEUULPP-ZACQAIPSSA-N 1 3 321.509 2.393 20 0 DEADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CC1CC2(CCC2)C1)C1CC1 ZINC001159931844 790348353 /nfs/dbraw/zinc/34/83/53/790348353.db2.gz JTGTVPGDFYLVBS-MRXNPFEDSA-N 1 3 307.482 2.003 20 0 DEADHO CN(CC(=O)NCC1CC([NH2+]Cc2ccccc2)C1)C1CCC1 ZINC001100410590 776632046 /nfs/dbraw/zinc/63/20/46/776632046.db2.gz DGQTZDZYYLRPDQ-UHFFFAOYSA-N 1 3 315.461 2.155 20 0 DEADHO COCOCCCN1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001209029764 776651960 /nfs/dbraw/zinc/65/19/60/776651960.db2.gz OOOWXCKCLOAPNF-ROUUACIJSA-N 1 3 304.434 2.061 20 0 DEADHO CC[C@H](C)C[NH2+]CC1(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001167232669 776786884 /nfs/dbraw/zinc/78/68/84/776786884.db2.gz LTFULZPHJSSTFE-JKSUJKDBSA-N 1 3 309.498 2.250 20 0 DEADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CC1CCC1 ZINC001104292297 776951156 /nfs/dbraw/zinc/95/11/56/776951156.db2.gz SZVLDPUKENXVCX-ZTFGCOKTSA-N 1 3 321.509 2.201 20 0 DEADHO CC(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001104319114 777042211 /nfs/dbraw/zinc/04/22/11/777042211.db2.gz DDNDUFZGTDIJCC-ZACQAIPSSA-N 1 3 311.514 2.303 20 0 DEADHO CC(C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN1CCC(C)CC1 ZINC001087231002 777416684 /nfs/dbraw/zinc/41/66/84/777416684.db2.gz ZHLNHLBISBIFSZ-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C(C)C)C1 ZINC001105067177 778323405 /nfs/dbraw/zinc/32/34/05/778323405.db2.gz QJKMMDBTNGGZTL-ZACQAIPSSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)=CC[NH2+]CC1(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001167900185 778760970 /nfs/dbraw/zinc/76/09/70/778760970.db2.gz AITWNAFXRWBABP-UHFFFAOYSA-N 1 3 304.438 2.103 20 0 DEADHO CC(=O)N[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167977870 779141040 /nfs/dbraw/zinc/14/10/40/779141040.db2.gz HGYUUTXKLJDSOE-GSWHEVMTSA-N 1 3 319.493 2.429 20 0 DEADHO CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001105396501 779372738 /nfs/dbraw/zinc/37/27/38/779372738.db2.gz NLXYVWGDGSJMEB-SFHVURJKSA-N 1 3 321.509 2.440 20 0 DEADHO CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001105396501 779372742 /nfs/dbraw/zinc/37/27/42/779372742.db2.gz NLXYVWGDGSJMEB-SFHVURJKSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@@H]2C1 ZINC001088105964 779705346 /nfs/dbraw/zinc/70/53/46/779705346.db2.gz JOBASOFIBUGDMV-KURKYZTESA-N 1 3 319.493 2.217 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@@H]2C1 ZINC001088105964 779705350 /nfs/dbraw/zinc/70/53/50/779705350.db2.gz JOBASOFIBUGDMV-KURKYZTESA-N 1 3 319.493 2.217 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107459 779705466 /nfs/dbraw/zinc/70/54/66/779705466.db2.gz YPTYMABMIJCLLW-SJORKVTESA-N 1 3 321.509 2.155 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107459 779705467 /nfs/dbraw/zinc/70/54/67/779705467.db2.gz YPTYMABMIJCLLW-SJORKVTESA-N 1 3 321.509 2.155 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCCCC[C@@H]([NH2+]CC2CC2)C1 ZINC001088382387 780053358 /nfs/dbraw/zinc/05/33/58/780053358.db2.gz AAIDSOLZKRLYSC-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO c1cncc(CN2CC[C@H](NC3CC[NH+](CC4CC4)CC3)C2)c1 ZINC001168366345 781100929 /nfs/dbraw/zinc/10/09/29/781100929.db2.gz OYTYYVDCWFDYKA-IBGZPJMESA-N 1 3 314.477 2.120 20 0 DEADHO CC(C)[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001089821382 783480226 /nfs/dbraw/zinc/48/02/26/783480226.db2.gz SOEGDQGAWKLSEA-YVSFHVDLSA-N 1 3 319.493 2.048 20 0 DEADHO CC(C)[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001089821382 783480232 /nfs/dbraw/zinc/48/02/32/783480232.db2.gz SOEGDQGAWKLSEA-YVSFHVDLSA-N 1 3 319.493 2.048 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCF ZINC001085432138 783681317 /nfs/dbraw/zinc/68/13/17/783681317.db2.gz JZYVKSIPLGBCRY-IAGOWNOFSA-N 1 3 321.440 2.348 20 0 DEADHO CN(C[C@@H]1CCN1CC1CC1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001085639857 783916880 /nfs/dbraw/zinc/91/68/80/783916880.db2.gz XRJMFEFGYRCDNO-ROUUACIJSA-N 1 3 319.493 2.336 20 0 DEADHO CN(C[C@@H]1CCN1CC1CC1)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001085639857 783916882 /nfs/dbraw/zinc/91/68/82/783916882.db2.gz XRJMFEFGYRCDNO-ROUUACIJSA-N 1 3 319.493 2.336 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@@H]2C[N@H+](C)CC2CC2)C1 ZINC001074064820 791035039 /nfs/dbraw/zinc/03/50/39/791035039.db2.gz PMLAREOJLWWKKY-NVXWUHKLSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@@H]2C[N@@H+](C)CC2CC2)C1 ZINC001074064820 791035042 /nfs/dbraw/zinc/03/50/42/791035042.db2.gz PMLAREOJLWWKKY-NVXWUHKLSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC2)C1 ZINC001086364875 784626759 /nfs/dbraw/zinc/62/67/59/784626759.db2.gz VKKRJLRUPIQZRO-ULQDDVLXSA-N 1 3 307.482 2.144 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC2)C1 ZINC001086497438 784795224 /nfs/dbraw/zinc/79/52/24/784795224.db2.gz LQKLLDWDJNDFCS-ULQDDVLXSA-N 1 3 307.482 2.144 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC(=O)N(Cc3ccccc3)C1)C2 ZINC001169094559 785031255 /nfs/dbraw/zinc/03/12/55/785031255.db2.gz MNIXFLJAQDPGTB-ZJPYXAASSA-N 1 3 313.445 2.002 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@H](F)[C@](O)(C(F)(F)F)CC1)C2 ZINC001169126741 785047075 /nfs/dbraw/zinc/04/70/75/785047075.db2.gz XDLVAKOGIJFVKG-ZSLBOAEBSA-N 1 3 324.362 2.339 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@H](F)[C@](O)(C(F)(F)F)CC1)C2 ZINC001169126741 785047084 /nfs/dbraw/zinc/04/70/84/785047084.db2.gz XDLVAKOGIJFVKG-ZSLBOAEBSA-N 1 3 324.362 2.339 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CCCN(c3ccccn3)C1)C2 ZINC001169115769 785060041 /nfs/dbraw/zinc/06/00/41/785060041.db2.gz OIUGCMFHRJNVKE-WCXIOVBPSA-N 1 3 300.450 2.265 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CCCN(c3ccccn3)C1)C2 ZINC001169115769 785060046 /nfs/dbraw/zinc/06/00/46/785060046.db2.gz OIUGCMFHRJNVKE-WCXIOVBPSA-N 1 3 300.450 2.265 20 0 DEADHO O=C(N[C@H]1CCC[N@H+](CC2CCC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001008042000 785085758 /nfs/dbraw/zinc/08/57/58/785085758.db2.gz AHGJUIANYKMLDF-ROUUACIJSA-N 1 3 319.493 2.242 20 0 DEADHO O=C(N[C@H]1CCC[N@@H+](CC2CCC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001008042000 785085766 /nfs/dbraw/zinc/08/57/66/785085766.db2.gz AHGJUIANYKMLDF-ROUUACIJSA-N 1 3 319.493 2.242 20 0 DEADHO C[C@@H](F)CC[NH2+]CCCC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001171236084 791081079 /nfs/dbraw/zinc/08/10/79/791081079.db2.gz KWTKIRZHSDZRDV-HUUCEWRRSA-N 1 3 315.477 2.483 20 0 DEADHO NCc1ccc2c(n1)N(c1cccc(N3CC[NH2+]CC3)c1)CCC2 ZINC001169590754 785252226 /nfs/dbraw/zinc/25/22/26/785252226.db2.gz MYLOLNRCLBPUBJ-UHFFFAOYSA-N 1 3 323.444 2.034 20 0 DEADHO CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)CC1)C2 ZINC001108784289 785538633 /nfs/dbraw/zinc/53/86/33/785538633.db2.gz OSUHZQSXASKJOZ-KSZLIROESA-N 1 3 321.509 2.488 20 0 DEADHO CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C(C)C)C2 ZINC001112585878 786164351 /nfs/dbraw/zinc/16/43/51/786164351.db2.gz WWAMHJZDWNVNGR-WMZOPIPTSA-N 1 3 309.498 2.345 20 0 DEADHO C[NH+](C)CCCCC(=O)N1CCN(C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001113561459 786692513 /nfs/dbraw/zinc/69/25/13/786692513.db2.gz CNDDGRXLDQRDLH-FGTMMUONSA-N 1 3 321.509 2.299 20 0 DEADHO CC[C@@H]1C[C@H]([NH2+]C2CCN(CC3CCOCC3)CC2)CCO1 ZINC001170198646 786852988 /nfs/dbraw/zinc/85/29/88/786852988.db2.gz ZPBYFGZGJLSCAR-QZTJIDSGSA-N 1 3 310.482 2.425 20 0 DEADHO CC(C)(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001015387943 787028057 /nfs/dbraw/zinc/02/80/57/787028057.db2.gz NLRVMCUHVZCOPD-IAGOWNOFSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001015387943 787028068 /nfs/dbraw/zinc/02/80/68/787028068.db2.gz NLRVMCUHVZCOPD-IAGOWNOFSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](NCCNC(=O)[C@H](C1CC1)[NH+](C)C)c1ccccc1Cl ZINC001129455707 787214052 /nfs/dbraw/zinc/21/40/52/787214052.db2.gz VTTILBIGQFIWHU-WBMJQRKESA-N 1 3 323.868 2.447 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+][C@H]1CCc2c1cccc2Cl)N(C)C ZINC001130203439 787313076 /nfs/dbraw/zinc/31/30/76/787313076.db2.gz LWJREUDROQMSRT-JKSUJKDBSA-N 1 3 323.868 2.373 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001130427379 787388336 /nfs/dbraw/zinc/38/83/36/787388336.db2.gz NNDFRVYJBOAKSH-UHFFFAOYSA-N 1 3 316.449 2.104 20 0 DEADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)NCCNC/C=C\Cl ZINC001130622724 787444170 /nfs/dbraw/zinc/44/41/70/787444170.db2.gz XDRGVUNGQGOSIN-TWGQIWQCSA-N 1 3 301.862 2.098 20 0 DEADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCCNC/C=C\Cl ZINC001130622724 787444175 /nfs/dbraw/zinc/44/41/75/787444175.db2.gz XDRGVUNGQGOSIN-TWGQIWQCSA-N 1 3 301.862 2.098 20 0 DEADHO CC[NH+](CC)Cc1cc(N[C@@H](C)[C@H]2CNCCO2)ccc1OC ZINC001170575527 787668331 /nfs/dbraw/zinc/66/83/31/787668331.db2.gz QDPZQSZGCLWKDP-KBXCAEBGSA-N 1 3 321.465 2.326 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC2)C1 ZINC001086695597 788204848 /nfs/dbraw/zinc/20/48/48/788204848.db2.gz YHJWEMGWVKFDCA-GVDBMIGSSA-N 1 3 307.482 2.144 20 0 DEADHO C[NH+](C)CCCC(=O)NCCNCc1ccc(F)c(Cl)c1 ZINC001133040367 788258638 /nfs/dbraw/zinc/25/86/38/788258638.db2.gz NRCLGIWNNYVVIB-UHFFFAOYSA-N 1 3 315.820 2.027 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001000193397 788336649 /nfs/dbraw/zinc/33/66/49/788336649.db2.gz PZGLGPQZKLZGQJ-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001000191443 788336689 /nfs/dbraw/zinc/33/66/89/788336689.db2.gz JAHHVVLLPJALEG-DOTOQJQBSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC=C(C)C)C1 ZINC001133253307 788341444 /nfs/dbraw/zinc/34/14/44/788341444.db2.gz FPFXSRODKMJAKK-DLBZAZTESA-N 1 3 309.498 2.369 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]C/C=C\Cl)C1 ZINC001133274591 788346319 /nfs/dbraw/zinc/34/63/19/788346319.db2.gz KMTCCDZPLJJMCH-UWERJEOXSA-N 1 3 315.889 2.155 20 0 DEADHO C[NH+](C)CCC(=O)NCCNC1c2ccccc2-c2ccccc21 ZINC001133296905 788358916 /nfs/dbraw/zinc/35/89/16/788358916.db2.gz DNGLAIAFHKQPGO-UHFFFAOYSA-N 1 3 323.440 2.414 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCC2CC2)C1 ZINC001133346327 788375831 /nfs/dbraw/zinc/37/58/31/788375831.db2.gz LHXNKZDYSWPGRM-NVXWUHKLSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@H](C(=O)NCC[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001133415672 788408180 /nfs/dbraw/zinc/40/81/80/788408180.db2.gz JTSFTYIPBZNRQB-OAHLLOKOSA-N 1 3 311.857 2.132 20 0 DEADHO CCCc1ccc(C[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001133419295 788409485 /nfs/dbraw/zinc/40/94/85/788409485.db2.gz LWTQNNBLUKMPED-GOSISDBHSA-N 1 3 319.493 2.431 20 0 DEADHO Cc1ccc(CCC[NH2+]CCNC(=O)CN2CCC[C@@H]2C)cc1 ZINC001133819399 788618570 /nfs/dbraw/zinc/61/85/70/788618570.db2.gz AYAMODZQGWNZEZ-KRWDZBQOSA-N 1 3 317.477 2.118 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]CC/C=C/c1ccccc1 ZINC001133823489 788619794 /nfs/dbraw/zinc/61/97/94/788619794.db2.gz HOHPGFKDFKTPNX-OPGUWZMBSA-N 1 3 315.461 2.280 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]CC1CCC(F)(F)CC1 ZINC001133823786 788619956 /nfs/dbraw/zinc/61/99/56/788619956.db2.gz ONWMJLHVEQFZIG-CYBMUJFWSA-N 1 3 317.424 2.002 20 0 DEADHO C[C@@H](NCCNC(=O)C[N@@H+]1CCC[C@@H]1C)c1ccccc1F ZINC001133833916 788627082 /nfs/dbraw/zinc/62/70/82/788627082.db2.gz JLWUSVPZXSBPGG-UONOGXRCSA-N 1 3 307.413 2.077 20 0 DEADHO C[C@@H](NCCNC(=O)C[N@H+]1CCC[C@@H]1C)c1ccccc1F ZINC001133833916 788627086 /nfs/dbraw/zinc/62/70/86/788627086.db2.gz JLWUSVPZXSBPGG-UONOGXRCSA-N 1 3 307.413 2.077 20 0 DEADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCNCc1cc2ccccc2o1 ZINC001133834059 788628339 /nfs/dbraw/zinc/62/83/39/788628339.db2.gz MTYNCXUDZBVZAS-CQSZACIVSA-N 1 3 315.417 2.123 20 0 DEADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCNCc1cc2ccccc2o1 ZINC001133834059 788628343 /nfs/dbraw/zinc/62/83/43/788628343.db2.gz MTYNCXUDZBVZAS-CQSZACIVSA-N 1 3 315.417 2.123 20 0 DEADHO Cc1cccc(C)c1C[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133876929 788655259 /nfs/dbraw/zinc/65/52/59/788655259.db2.gz LWHUFOHSVTYBMR-UHFFFAOYSA-N 1 3 317.477 2.241 20 0 DEADHO CC1CCC(C[NH2+]CCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001133896139 788662066 /nfs/dbraw/zinc/66/20/66/788662066.db2.gz DQSUCBUPPGSNMG-UHFFFAOYSA-N 1 3 309.498 2.250 20 0 DEADHO Cc1ccc(C[NH2+]CCNC(=O)CN2CCC(C)(C)C2)cc1F ZINC001133896238 788662322 /nfs/dbraw/zinc/66/23/22/788662322.db2.gz FTKWOXMJVFHUGS-UHFFFAOYSA-N 1 3 321.440 2.072 20 0 DEADHO CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1cnc(C)o1 ZINC001134772585 789073752 /nfs/dbraw/zinc/07/37/52/789073752.db2.gz GIKNFGXQZSRPDC-CHWSQXEVSA-N 1 3 324.469 2.086 20 0 DEADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1cnc(C)o1 ZINC001134772585 789073757 /nfs/dbraw/zinc/07/37/57/789073757.db2.gz GIKNFGXQZSRPDC-CHWSQXEVSA-N 1 3 324.469 2.086 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC001135511598 789380472 /nfs/dbraw/zinc/38/04/72/789380472.db2.gz UXNNGHRPQIWJNY-UHFFFAOYSA-N 1 3 305.466 2.358 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC001135513617 789381853 /nfs/dbraw/zinc/38/18/53/789381853.db2.gz SELUCRQEYRIIKY-GFCCVEGCSA-N 1 3 313.392 2.073 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1oc(C)nc1C ZINC001135861614 789536572 /nfs/dbraw/zinc/53/65/72/789536572.db2.gz UROGRAAJKVEICQ-CHWSQXEVSA-N 1 3 324.469 2.006 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1oc(C)nc1C ZINC001135861614 789536580 /nfs/dbraw/zinc/53/65/80/789536580.db2.gz UROGRAAJKVEICQ-CHWSQXEVSA-N 1 3 324.469 2.006 20 0 DEADHO Cc1cc(CN[C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C)on1 ZINC001135960869 789580688 /nfs/dbraw/zinc/58/06/88/789580688.db2.gz IUMTXMSNNFCVEL-UONOGXRCSA-N 1 3 324.469 2.088 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NCCNCc2ccsc2)CC1 ZINC001146383129 791283759 /nfs/dbraw/zinc/28/37/59/791283759.db2.gz DLMIHQFYMHHXCT-UHFFFAOYSA-N 1 3 309.479 2.074 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001146593075 791317759 /nfs/dbraw/zinc/31/77/59/791317759.db2.gz NRMLJLYEZSDVCT-CHWSQXEVSA-N 1 3 319.440 2.245 20 0 DEADHO Cc1nc(C)c(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)C)o1 ZINC001146593584 791318328 /nfs/dbraw/zinc/31/83/28/791318328.db2.gz QEQMUFHVEWIIIL-STQMWFEESA-N 1 3 324.469 2.005 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCNCc2ccc(F)cc2)C1 ZINC001147825784 791631332 /nfs/dbraw/zinc/63/13/32/791631332.db2.gz RMDBSXGLLSEUEA-DOTOQJQBSA-N 1 3 321.440 2.152 20 0 DEADHO CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001098459983 791634946 /nfs/dbraw/zinc/63/49/46/791634946.db2.gz VAVDUQOZGMUICY-ZACQAIPSSA-N 1 3 301.434 2.103 20 0 DEADHO CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001098459983 791634950 /nfs/dbraw/zinc/63/49/50/791634950.db2.gz VAVDUQOZGMUICY-ZACQAIPSSA-N 1 3 301.434 2.103 20 0 DEADHO Cc1ccc(F)cc1CNCCNC(=O)CCCC[NH+](C)C ZINC001148359876 791741258 /nfs/dbraw/zinc/74/12/58/791741258.db2.gz GFBHWVDPPROALJ-UHFFFAOYSA-N 1 3 309.429 2.072 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C(C)C)C1 ZINC001099540345 792235245 /nfs/dbraw/zinc/23/52/45/792235245.db2.gz ZPLKQKMLHULREO-SCTDSRPQSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)=CC[NH2+]C1CC(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001100319294 792589512 /nfs/dbraw/zinc/58/95/12/792589512.db2.gz GIWXNIVXIFQMJF-OFLPRAFFSA-N 1 3 307.482 2.310 20 0 DEADHO CN(C)[C@H](C(=O)NCC1CC([NH2+]Cc2ccccc2)C1)C1CC1 ZINC001100407786 792634120 /nfs/dbraw/zinc/63/41/20/792634120.db2.gz JIEQLCLGLRLAMW-VJFUWPCTSA-N 1 3 315.461 2.011 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C[NH2+]CC2CCCC2)[C@H](C)C1 ZINC001094040774 792697768 /nfs/dbraw/zinc/69/77/68/792697768.db2.gz OKJSEWOAMZJXFV-JFIYKMOQSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@@H](C)C[NH2+]C1CC(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001100562536 792722208 /nfs/dbraw/zinc/72/22/08/792722208.db2.gz QKASINZNBKTWGY-QQFBHYJXSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC2CC([NH2+]CCCC3CCC3)C2)C1 ZINC001100678494 792783689 /nfs/dbraw/zinc/78/36/89/792783689.db2.gz MUGKDYVJRDFIGA-ZLPCBKJTSA-N 1 3 321.509 2.393 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC2CC([NH2+]CC3CCCC3)C2)C1 ZINC001100678373 792784360 /nfs/dbraw/zinc/78/43/60/792784360.db2.gz IPNKQMHJEZWRGW-OOHWJJMZSA-N 1 3 307.482 2.003 20 0 DEADHO C[C@H]1CCN(CC(=O)NCC2CC([NH2+]CC3=CCCCC3)C2)C1 ZINC001100678398 792784597 /nfs/dbraw/zinc/78/45/97/792784597.db2.gz JNDUQGRVJSDYRB-ZLPCBKJTSA-N 1 3 319.493 2.313 20 0 DEADHO Cc1cccc2c1CC[C@H](N1CCN(CC[NH+](C)C)CC1)C2 ZINC001171564136 793135229 /nfs/dbraw/zinc/13/52/29/793135229.db2.gz UCMHLGSEVYNRFU-SFHVURJKSA-N 1 3 301.478 2.032 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+][C@H](C)c1ccccc1C ZINC001171763183 793199691 /nfs/dbraw/zinc/19/96/91/793199691.db2.gz UMTCQCASPZDJKW-MRXNPFEDSA-N 1 3 305.466 2.494 20 0 DEADHO NCc1cnnn1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172073423 793309981 /nfs/dbraw/zinc/30/99/81/793309981.db2.gz QNDRIUHSKBLNLC-FVQHAEBGSA-N 1 3 311.433 2.495 20 0 DEADHO NCc1cnnn1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172073423 793309991 /nfs/dbraw/zinc/30/99/91/793309991.db2.gz QNDRIUHSKBLNLC-FVQHAEBGSA-N 1 3 311.433 2.495 20 0 DEADHO Cc1nccnc1O[C@@H]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172134383 793323596 /nfs/dbraw/zinc/32/35/96/793323596.db2.gz XAXUBYMTLRSHPC-LTIDMASMSA-N 1 3 316.449 2.253 20 0 DEADHO Cc1nccnc1O[C@@H]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172134383 793323602 /nfs/dbraw/zinc/32/36/02/793323602.db2.gz XAXUBYMTLRSHPC-LTIDMASMSA-N 1 3 316.449 2.253 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[C@@H](Oc3ncccn3)C1)C2 ZINC001172132903 793324430 /nfs/dbraw/zinc/32/44/30/793324430.db2.gz PYGBIUOHRRYALK-LTIDMASMSA-N 1 3 316.449 2.335 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[C@@H](Oc3ncccn3)C1)C2 ZINC001172132903 793324434 /nfs/dbraw/zinc/32/44/34/793324434.db2.gz PYGBIUOHRRYALK-LTIDMASMSA-N 1 3 316.449 2.335 20 0 DEADHO CN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172104011 793328674 /nfs/dbraw/zinc/32/86/74/793328674.db2.gz YRRKMPQGBOQAMT-NNZMDNLPSA-N 1 3 315.461 2.250 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCN1CCCC(F)(F)C1)C2 ZINC001172116556 793337372 /nfs/dbraw/zinc/33/73/72/793337372.db2.gz HRHXSLHQIYUPJH-QKDCVEJESA-N 1 3 301.425 2.322 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCN1CCCC(F)(F)C1)C2 ZINC001172116556 793337382 /nfs/dbraw/zinc/33/73/82/793337382.db2.gz HRHXSLHQIYUPJH-QKDCVEJESA-N 1 3 301.425 2.322 20 0 DEADHO CN1C(C)(C)CC([NH2+][C@@H]2CCN3C(=O)CC[C@@H]3C2)CC1(C)C ZINC001172156232 793352338 /nfs/dbraw/zinc/35/23/38/793352338.db2.gz OSQDDAMIUAKSGQ-UKRRQHHQSA-N 1 3 307.482 2.381 20 0 DEADHO COCCCOc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)cc1 ZINC001206185581 793560204 /nfs/dbraw/zinc/56/02/04/793560204.db2.gz OJBXGRLYRAZZKA-SJORKVTESA-N 1 3 310.413 2.363 20 0 DEADHO COCCCOc1ccc(C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)cc1 ZINC001206185581 793560200 /nfs/dbraw/zinc/56/02/00/793560200.db2.gz OJBXGRLYRAZZKA-SJORKVTESA-N 1 3 310.413 2.363 20 0 DEADHO CCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102330421 793577079 /nfs/dbraw/zinc/57/70/79/793577079.db2.gz UUKCEYSSEVUKFJ-BRWVUGGUSA-N 1 3 311.514 2.447 20 0 DEADHO CCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102330421 793577083 /nfs/dbraw/zinc/57/70/83/793577083.db2.gz UUKCEYSSEVUKFJ-BRWVUGGUSA-N 1 3 311.514 2.447 20 0 DEADHO CCN1CC[C@@H](N[C@@H](C[NH3+])c2ccc(Br)cc2)C1 ZINC001173351612 793685942 /nfs/dbraw/zinc/68/59/42/793685942.db2.gz ZTJTYUGOTXGUQP-KGLIPLIRSA-N 1 3 312.255 2.133 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]Cc1ccc(F)cc1C ZINC001174681679 794039597 /nfs/dbraw/zinc/03/95/97/794039597.db2.gz AAVFEJIUHRDLOH-UHFFFAOYSA-N 1 3 318.396 2.004 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001103436138 794090979 /nfs/dbraw/zinc/09/09/79/794090979.db2.gz LVYRBKSMUUFDFE-BRWVUGGUSA-N 1 3 309.498 2.058 20 0 DEADHO CC(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001103436138 794090987 /nfs/dbraw/zinc/09/09/87/794090987.db2.gz LVYRBKSMUUFDFE-BRWVUGGUSA-N 1 3 309.498 2.058 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CCCF)N(C)C ZINC001175107295 794131785 /nfs/dbraw/zinc/13/17/85/794131785.db2.gz MUEAADOHESOLSV-LSDHHAIUSA-N 1 3 303.466 2.197 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@H+](CC2CC(C)C2)C[C@H]1C ZINC001103755440 794214800 /nfs/dbraw/zinc/21/48/00/794214800.db2.gz HBIHDDJRZNNCIR-GPQLOAJWSA-N 1 3 323.525 2.447 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@@H+](CC2CC(C)C2)C[C@H]1C ZINC001103755440 794214804 /nfs/dbraw/zinc/21/48/04/794214804.db2.gz HBIHDDJRZNNCIR-GPQLOAJWSA-N 1 3 323.525 2.447 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)CCCC[NH2+]CCCCOC ZINC001175786703 794288269 /nfs/dbraw/zinc/28/82/69/794288269.db2.gz NTDUWZJLVSIHQE-INIZCTEOSA-N 1 3 315.502 2.019 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[NH2+]Cc1sccc1Cl ZINC001176980444 794547613 /nfs/dbraw/zinc/54/76/13/794547613.db2.gz GXLFMXBDCJNFPM-UHFFFAOYSA-N 1 3 317.886 2.338 20 0 DEADHO CC(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001112413339 794628931 /nfs/dbraw/zinc/62/89/31/794628931.db2.gz JLROUDVSIJMEAM-LNLFQRSKSA-N 1 3 323.525 2.447 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)CC(C)C)C[C@H]21 ZINC001114998769 794649922 /nfs/dbraw/zinc/64/99/22/794649922.db2.gz WAPKZTAXQRJYFN-CBZIJGRNSA-N 1 3 309.498 2.057 20 0 DEADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)CC(C)C)C[C@H]21 ZINC001114998769 794649927 /nfs/dbraw/zinc/64/99/27/794649927.db2.gz WAPKZTAXQRJYFN-CBZIJGRNSA-N 1 3 309.498 2.057 20 0 DEADHO O=C(Cc1c[nH]cn1)N(CCC[NH2+]CCCF)CC1CCCC1 ZINC001177431449 794675290 /nfs/dbraw/zinc/67/52/90/794675290.db2.gz ZUQSOABJKDGLJS-UHFFFAOYSA-N 1 3 324.444 2.310 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3ccccc3)C[C@H]21 ZINC001115300678 794727355 /nfs/dbraw/zinc/72/73/55/794727355.db2.gz XOODUKYJOCSXPY-ITQYTPKQSA-N 1 3 315.461 2.134 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3ccccc3)C[C@H]21 ZINC001115300678 794727361 /nfs/dbraw/zinc/72/73/61/794727361.db2.gz XOODUKYJOCSXPY-ITQYTPKQSA-N 1 3 315.461 2.134 20 0 DEADHO CC(C)C[NH2+]C1(CNC(=O)[C@@H](C2CC2)N(C)C)CCCCC1 ZINC001115573180 794825912 /nfs/dbraw/zinc/82/59/12/794825912.db2.gz LPMDFGCLCGOZDC-MRXNPFEDSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@H](F)C[NH2+]C1(CNC(=O)[C@H](CC)N(C)C)CCCCC1 ZINC001115734688 794900658 /nfs/dbraw/zinc/90/06/58/794900658.db2.gz ZFYALCFKYWYGGK-GJZGRUSLSA-N 1 3 315.477 2.483 20 0 DEADHO CC[C@H](C(=O)NCCCCCC[NH2+]Cc1cc(C)no1)N(C)C ZINC001178816050 795013974 /nfs/dbraw/zinc/01/39/74/795013974.db2.gz SDGOIYUPHMWMJK-MRXNPFEDSA-N 1 3 324.469 2.089 20 0 DEADHO CC[C@@H](F)C[NH2+]CCCCCCNC(=O)CN1CC[C@@H](C)C1 ZINC001179586840 795138640 /nfs/dbraw/zinc/13/86/40/795138640.db2.gz UDHDXUUWHCAGFP-HZPDHXFCSA-N 1 3 315.477 2.343 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCCCCC[NH2+]CCC1CC1 ZINC001180159125 795253129 /nfs/dbraw/zinc/25/31/29/795253129.db2.gz ZRZMDEUGVGYUOT-UHFFFAOYSA-N 1 3 306.454 2.327 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001181652664 795513366 /nfs/dbraw/zinc/51/33/66/795513366.db2.gz ODGJEFNFNBLXGL-IAGOWNOFSA-N 1 3 307.482 2.242 20 0 DEADHO CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCN2CCC)C[C@H]1C ZINC001181671872 795518818 /nfs/dbraw/zinc/51/88/18/795518818.db2.gz RWBXPQGBSAJWNT-JFIYKMOQSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)NC1CC2(C1)CC([NH2+]C/C=C/Cl)C2 ZINC001122107046 795726113 /nfs/dbraw/zinc/72/61/13/795726113.db2.gz YGXOJWWOFOGZQS-SNAWJCMRSA-N 1 3 313.873 2.098 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001182980876 795792243 /nfs/dbraw/zinc/79/22/43/795792243.db2.gz AQKWRTUHDCYAQT-IAGOWNOFSA-N 1 3 321.440 2.057 20 0 DEADHO CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001183268316 795842684 /nfs/dbraw/zinc/84/26/84/795842684.db2.gz SZHIJJINFLAAPS-SEDCNLEPSA-N 1 3 307.482 2.264 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1)C1CC1 ZINC001183267270 795842904 /nfs/dbraw/zinc/84/29/04/795842904.db2.gz LNBDEYMMRNYGCJ-SJORKVTESA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC[C@@H](C)F)C1 ZINC001183517238 795879039 /nfs/dbraw/zinc/87/90/39/795879039.db2.gz WRASXTMPOWLHIM-BFYDXBDKSA-N 1 3 315.477 2.149 20 0 DEADHO CN1CCC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001183575994 795895463 /nfs/dbraw/zinc/89/54/63/795895463.db2.gz VGYHKYJEILIOPS-IEBWSBKVSA-N 1 3 315.461 2.109 20 0 DEADHO CN1CCC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001183575994 795895474 /nfs/dbraw/zinc/89/54/74/795895474.db2.gz VGYHKYJEILIOPS-IEBWSBKVSA-N 1 3 315.461 2.109 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C ZINC001185171303 796202377 /nfs/dbraw/zinc/20/23/77/796202377.db2.gz VYTSSVURDBODLM-DLBZAZTESA-N 1 3 323.525 2.449 20 0 DEADHO CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001185204643 796211514 /nfs/dbraw/zinc/21/15/14/796211514.db2.gz KXCFJWLWKRSYOK-SWJNODNISA-N 1 3 318.465 2.383 20 0 DEADHO Cc1[nH]c(=O)[nH]c(=O)c1CN1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001138468910 796223391 /nfs/dbraw/zinc/22/33/91/796223391.db2.gz GTLIDEBZRQKHFV-UONOGXRCSA-N 1 3 320.437 2.035 20 0 DEADHO Cc1[nH]c(=O)[nH]c(=O)c1CN1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001138468910 796223396 /nfs/dbraw/zinc/22/33/96/796223396.db2.gz GTLIDEBZRQKHFV-UONOGXRCSA-N 1 3 320.437 2.035 20 0 DEADHO COc1ccc(OC)c(CN2CCC(C[NH+](C)C)CC2)c1N ZINC001139273089 796352838 /nfs/dbraw/zinc/35/28/38/796352838.db2.gz PDFBWCVGSGDROA-UHFFFAOYSA-N 1 3 307.438 2.060 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001186496434 796408707 /nfs/dbraw/zinc/40/87/07/796408707.db2.gz HJFUCOUJRMOVIB-DOTOQJQBSA-N 1 3 303.450 2.280 20 0 DEADHO C[NH+](C)CCN1CCN(Cc2ccccc2C2CC2)CCC1=O ZINC001139883607 796441392 /nfs/dbraw/zinc/44/13/92/796441392.db2.gz ZAINUHOHFMDDCF-UHFFFAOYSA-N 1 3 315.461 2.160 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC2CCC2)C12CCC2 ZINC001203650065 796459660 /nfs/dbraw/zinc/45/96/60/796459660.db2.gz FNAXMYWIUPMFPA-JKSUJKDBSA-N 1 3 307.482 2.145 20 0 DEADHO CCN(CC)CC(=O)N1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC001203004652 796479873 /nfs/dbraw/zinc/47/98/73/796479873.db2.gz GRLHJGMRUGDEHM-UHFFFAOYSA-N 1 3 321.440 2.248 20 0 DEADHO CCCC[NH2+][C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001188126472 796629127 /nfs/dbraw/zinc/62/91/27/796629127.db2.gz XPJGNFGBDSXEAF-MRXNPFEDSA-N 1 3 303.450 2.352 20 0 DEADHO CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001189391003 796816121 /nfs/dbraw/zinc/81/61/21/796816121.db2.gz VINSOSABCCKWHI-KGVXHEBISA-N 1 3 307.482 2.360 20 0 DEADHO CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001189391003 796816125 /nfs/dbraw/zinc/81/61/25/796816125.db2.gz VINSOSABCCKWHI-KGVXHEBISA-N 1 3 307.482 2.360 20 0 DEADHO CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001189391106 796816641 /nfs/dbraw/zinc/81/66/41/796816641.db2.gz VINSOSABCCKWHI-TZNMXKOXSA-N 1 3 307.482 2.360 20 0 DEADHO CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001189391106 796816644 /nfs/dbraw/zinc/81/66/44/796816644.db2.gz VINSOSABCCKWHI-TZNMXKOXSA-N 1 3 307.482 2.360 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]Cc1ccccc1C ZINC001161227309 796819291 /nfs/dbraw/zinc/81/92/91/796819291.db2.gz YATNUEHJQROMBJ-UHFFFAOYSA-N 1 3 305.466 2.321 20 0 DEADHO CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190644693 797047633 /nfs/dbraw/zinc/04/76/33/797047633.db2.gz KALAJLVGZBFZPM-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190644693 797047641 /nfs/dbraw/zinc/04/76/41/797047641.db2.gz KALAJLVGZBFZPM-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(C)CC(=O)NCC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001152439217 797187141 /nfs/dbraw/zinc/18/71/41/797187141.db2.gz FQMXLTGXERCNNY-UHFFFAOYSA-N 1 3 315.820 2.025 20 0 DEADHO CC(C)N(C)CC(=O)NCC[NH2+]Cc1ccc(C(F)F)cc1 ZINC001152426943 797187238 /nfs/dbraw/zinc/18/72/38/797187238.db2.gz QWCQVPLLKAOFSG-UHFFFAOYSA-N 1 3 313.392 2.170 20 0 DEADHO CC(C)[C@H](C(=O)NCCNCc1ccsc1)[NH+]1CCCCC1 ZINC001152480635 797194073 /nfs/dbraw/zinc/19/40/73/797194073.db2.gz YFIKLQAFKVNXNO-MRXNPFEDSA-N 1 3 323.506 2.464 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001152479712 797194454 /nfs/dbraw/zinc/19/44/54/797194454.db2.gz JIKANJXYYOMAFJ-PBHICJAKSA-N 1 3 321.440 2.467 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCC1CC1 ZINC001153721023 797381272 /nfs/dbraw/zinc/38/12/72/797381272.db2.gz RGJYNSYZGHJWDK-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCC1CC1 ZINC001153721023 797381278 /nfs/dbraw/zinc/38/12/78/797381278.db2.gz RGJYNSYZGHJWDK-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](F)CC[N@H+](C)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001192406923 797385485 /nfs/dbraw/zinc/38/54/85/797385485.db2.gz PEQCMDYGPZAGDE-HUUCEWRRSA-N 1 3 315.477 2.245 20 0 DEADHO C[C@@H](F)CC[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001192406923 797385493 /nfs/dbraw/zinc/38/54/93/797385493.db2.gz PEQCMDYGPZAGDE-HUUCEWRRSA-N 1 3 315.477 2.245 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)CCCC2CCC2)C1 ZINC001193643801 797599498 /nfs/dbraw/zinc/59/94/98/797599498.db2.gz ZPQOHHQINUNMFA-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001193643801 797599501 /nfs/dbraw/zinc/59/95/01/797599501.db2.gz ZPQOHHQINUNMFA-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CC[N@H+](CC1CC(C)C1)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001155085535 797677556 /nfs/dbraw/zinc/67/75/56/797677556.db2.gz PNSGIYIRJHZVHE-MNAZLIDISA-N 1 3 311.514 2.445 20 0 DEADHO CC[N@@H+](CC1CC(C)C1)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001155085535 797677561 /nfs/dbraw/zinc/67/75/61/797677561.db2.gz PNSGIYIRJHZVHE-MNAZLIDISA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)=CCN(C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194226864 797696509 /nfs/dbraw/zinc/69/65/09/797696509.db2.gz HEIYLVWWCNOKBL-KRWDZBQOSA-N 1 3 307.482 2.361 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001194285115 797710138 /nfs/dbraw/zinc/71/01/38/797710138.db2.gz PPRQZHPLENLCQI-KRWDZBQOSA-N 1 3 307.482 2.360 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001194285115 797710140 /nfs/dbraw/zinc/71/01/40/797710140.db2.gz PPRQZHPLENLCQI-KRWDZBQOSA-N 1 3 307.482 2.360 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC001194292939 797710998 /nfs/dbraw/zinc/71/09/98/797710998.db2.gz CGYBYABLAFFNHY-INIZCTEOSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001194292939 797711001 /nfs/dbraw/zinc/71/10/01/797711001.db2.gz CGYBYABLAFFNHY-INIZCTEOSA-N 1 3 309.498 2.296 20 0 DEADHO CCCC[N@@H+]1CCCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001196033230 797999150 /nfs/dbraw/zinc/99/91/50/797999150.db2.gz LGYAJZKPPKXFTH-HNNXBMFYSA-N 1 3 301.450 2.001 20 0 DEADHO CCCC[N@H+]1CCCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001196033230 797999154 /nfs/dbraw/zinc/99/91/54/797999154.db2.gz LGYAJZKPPKXFTH-HNNXBMFYSA-N 1 3 301.450 2.001 20 0 DEADHO N=C(NCCCC[NH3+])Nc1ncc(Cl)nc1-c1ccccc1 ZINC001157100001 798143738 /nfs/dbraw/zinc/14/37/38/798143738.db2.gz VXSUGUOXTFITBZ-UHFFFAOYSA-N 1 3 318.812 2.472 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC001197908318 798259119 /nfs/dbraw/zinc/25/91/19/798259119.db2.gz XCKRJOZRJBAJSI-UHFFFAOYSA-N 1 3 317.477 2.453 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC001197908318 798259123 /nfs/dbraw/zinc/25/91/23/798259123.db2.gz XCKRJOZRJBAJSI-UHFFFAOYSA-N 1 3 317.477 2.453 20 0 DEADHO C[C@H]1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)Cc2ccccc21 ZINC001157982546 798320594 /nfs/dbraw/zinc/32/05/94/798320594.db2.gz OMUCWEJPGWRDNT-YOEHRIQHSA-N 1 3 313.445 2.007 20 0 DEADHO C[C@H]1CN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)Cc2ccccc21 ZINC001157982546 798320601 /nfs/dbraw/zinc/32/06/01/798320601.db2.gz OMUCWEJPGWRDNT-YOEHRIQHSA-N 1 3 313.445 2.007 20 0 DEADHO CCN(CC)CC(=O)NC[C@H]([NH2+]C(C)C)c1ccccc1OC ZINC001198941590 798417642 /nfs/dbraw/zinc/41/76/42/798417642.db2.gz XBZFQXKWOACRJU-INIZCTEOSA-N 1 3 321.465 2.192 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC001203924518 798425686 /nfs/dbraw/zinc/42/56/86/798425686.db2.gz AKQSTABZOMLXGM-UHFFFAOYSA-N 1 3 321.440 2.247 20 0 DEADHO CN1CCC(N(c2ccc(Cl)cn2)C2CC[NH2+]CC2)CC1 ZINC001158575674 798433090 /nfs/dbraw/zinc/43/30/90/798433090.db2.gz QQSSHPSLNAKGCT-UHFFFAOYSA-N 1 3 308.857 2.388 20 0 DEADHO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ncc2c(n1)CCNC2 ZINC001158730778 798460176 /nfs/dbraw/zinc/46/01/76/798460176.db2.gz SRRKICDUGIBFLP-OAHLLOKOSA-N 1 3 309.417 2.362 20 0 DEADHO C[C@H]([NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C)c1ccccc1 ZINC001159933046 798627960 /nfs/dbraw/zinc/62/79/60/798627960.db2.gz YKNILYRERCWPRS-YOEHRIQHSA-N 1 3 303.450 2.184 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC[NH2+][C@@H](C)c1ccccc1)N(C)C ZINC001160427451 798686945 /nfs/dbraw/zinc/68/69/45/798686945.db2.gz RLPDRVXKHPDKRR-RDJZCZTQSA-N 1 3 305.466 2.430 20 0 DEADHO C[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@H](c3ccccc3)N2)CC1 ZINC001160459603 798691394 /nfs/dbraw/zinc/69/13/94/798691394.db2.gz NRCXLRJQLOCDLB-QZTJIDSGSA-N 1 3 315.461 2.328 20 0 DEADHO N[C@H](CC(=O)N1CCC([NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC001160515462 798698451 /nfs/dbraw/zinc/69/84/51/798698451.db2.gz IMKPTSCLFZASPM-CYBMUJFWSA-N 1 3 315.339 2.045 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+]CCCCc1ccccc1)N(C)C ZINC001160883470 798755294 /nfs/dbraw/zinc/75/52/94/798755294.db2.gz NNSQYOUQWCPJSY-GOSISDBHSA-N 1 3 319.493 2.445 20 0 DEADHO C[NH+](C)CCOCc1ncn2c1CN(CC(C)(C)C)CCC2 ZINC001201436539 798757134 /nfs/dbraw/zinc/75/71/34/798757134.db2.gz ZYYIXADJAGIKBD-UHFFFAOYSA-N 1 3 308.470 2.213 20 0 DEADHO CCC[NH+](CCC)CCN1CCN(CCCSC)CC1 ZINC001201691804 798792218 /nfs/dbraw/zinc/79/22/18/798792218.db2.gz GIHKUFHTXZZRIX-UHFFFAOYSA-N 1 3 301.544 2.479 20 0 DEADHO CCCN(C)CC(=O)NCCC1=CC[N@H+](CC[C@@H](C)F)CC1 ZINC001161755187 798930144 /nfs/dbraw/zinc/93/01/44/798930144.db2.gz PVWXJQDLULAVMY-OAHLLOKOSA-N 1 3 313.461 2.215 20 0 DEADHO CCCN(C)CC(=O)NCCC1=CC[N@@H+](CC[C@@H](C)F)CC1 ZINC001161755187 798930147 /nfs/dbraw/zinc/93/01/47/798930147.db2.gz PVWXJQDLULAVMY-OAHLLOKOSA-N 1 3 313.461 2.215 20 0 DEADHO CC(C)[NH2+]CCN(CCc1ccccc1)C(=O)CN(C)C(C)C ZINC001163006255 799221012 /nfs/dbraw/zinc/22/10/12/799221012.db2.gz BACPFKVLNJYQBN-UHFFFAOYSA-N 1 3 319.493 2.396 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CC[NH2+]CC1CC1 ZINC000717200629 799258740 /nfs/dbraw/zinc/25/87/40/799258740.db2.gz NJEVMNJOPICCDV-YJBOKZPZSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@H]1c2ccc(NCC3(N(C)C)CC[NH+](C)CC3)cc2NC1=O ZINC001164211749 799539340 /nfs/dbraw/zinc/53/93/40/799539340.db2.gz RLNAOSUNQDAYEY-ZDUSSCGKSA-N 1 3 316.449 2.180 20 0 DEADHO CC(C)(C)N(c1cccc(N)n1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001165668938 799759008 /nfs/dbraw/zinc/75/90/08/799759008.db2.gz HJFVTQKFWRGJSI-ZDUSSCGKSA-N 1 3 304.438 2.180 20 0 DEADHO CC[C@H](C(=O)NCCC1(C[NH2+]CCCCCF)CC1)N(C)C ZINC001165718300 799765716 /nfs/dbraw/zinc/76/57/16/799765716.db2.gz IFOABNVMALMZOC-OAHLLOKOSA-N 1 3 315.477 2.343 20 0 DEADHO C[NH+](C)CCC(=O)NCCCNCc1ccc(F)cc1Cl ZINC001165793792 799774899 /nfs/dbraw/zinc/77/48/99/799774899.db2.gz AGEJXVNDBSJBMW-UHFFFAOYSA-N 1 3 315.820 2.027 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCC1(C[NH2+]CC[C@H](C)F)CC1 ZINC001165809922 799777320 /nfs/dbraw/zinc/77/73/20/799777320.db2.gz UFJDENRAOABSQY-AWEZNQCLSA-N 1 3 315.477 2.341 20 0 DEADHO CC(C)[C@H](C(=O)NCCC[NH2+]Cc1cccc(F)c1)N(C)C ZINC001166004802 799811465 /nfs/dbraw/zinc/81/14/65/799811465.db2.gz YNCHZVZZXAUCRR-MRXNPFEDSA-N 1 3 309.429 2.008 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+][C@H]1CCc2ccccc21 ZINC001166627130 799905125 /nfs/dbraw/zinc/90/51/25/799905125.db2.gz QNWPHBCVLPBQJX-YJBOKZPZSA-N 1 3 315.461 2.254 20 0 DEADHO Cc1cc(C[NH2+]CCCNC(=O)CN2CCC[C@H]2C)c(C)s1 ZINC001166644779 799908308 /nfs/dbraw/zinc/90/83/08/799908308.db2.gz HLUDEZQHPZRIBY-CYBMUJFWSA-N 1 3 323.506 2.445 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]Cc2ccc(CF)cc2)C1 ZINC001166668127 799915515 /nfs/dbraw/zinc/91/55/15/799915515.db2.gz SABWWAUJTCMWJM-HNNXBMFYSA-N 1 3 321.440 2.094 20 0 DEADHO CCCC[NH2+]CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001166686697 799921055 /nfs/dbraw/zinc/92/10/55/799921055.db2.gz DJIOXMUWBXSTCE-INIZCTEOSA-N 1 3 301.450 2.095 20 0 DEADHO CC[C@@H](C)C[NH2+]CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001166687213 799921366 /nfs/dbraw/zinc/92/13/66/799921366.db2.gz JDBYJFZPKSUJIS-RHSMWYFYSA-N 1 3 315.477 2.341 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001166851444 799964583 /nfs/dbraw/zinc/96/45/83/799964583.db2.gz ALABAYGWISKGPL-LBPRGKRZSA-N 1 3 317.886 2.338 20 0 DEADHO Clc1cc(N2CCC([C@H]3CCC[NH2+]3)CC2)c2c(n1)CNCC2 ZINC001166901027 799974772 /nfs/dbraw/zinc/97/47/72/799974772.db2.gz ZVHZRSBIHNXBCG-CQSZACIVSA-N 1 3 320.868 2.349 20 0 DEADHO CCCC[NH2+][C@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203659243 800100352 /nfs/dbraw/zinc/10/03/52/800100352.db2.gz HFBLXGNEFATTKN-GJZGRUSLSA-N 1 3 304.438 2.078 20 0 DEADHO c1cc(CN2CCC(COCC[NH+]3CCCC3)CC2)ccn1 ZINC001204077035 800170283 /nfs/dbraw/zinc/17/02/83/800170283.db2.gz DOONBCSLRQHLGH-UHFFFAOYSA-N 1 3 303.450 2.406 20 0 DEADHO Cc1nc[nH]c1CN1C[C@@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001204592642 800238040 /nfs/dbraw/zinc/23/80/40/800238040.db2.gz ZZDHAIRWFRELTJ-SJORKVTESA-N 1 3 311.433 2.067 20 0 DEADHO Cc1nc[nH]c1CN1C[C@@H]2C[N@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001204592642 800238045 /nfs/dbraw/zinc/23/80/45/800238045.db2.gz ZZDHAIRWFRELTJ-SJORKVTESA-N 1 3 311.433 2.067 20 0 DEADHO CC(C)CC[NH2+]CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001205457747 800358975 /nfs/dbraw/zinc/35/89/75/800358975.db2.gz NVXJWXOWCJZBQI-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1CCN(Cc2cnc(C(F)(F)F)nc2)CC[C@@H]1C[NH3+] ZINC001205627364 800390535 /nfs/dbraw/zinc/39/05/35/800390535.db2.gz OKTZHGVQYLJYTK-ZYHUDNBSSA-N 1 3 302.344 2.302 20 0 DEADHO C[C@@H]1CC[N@H+](Cc2ccc([O-])c3[nH]c(=O)ccc23)CC[C@H]1C[NH3+] ZINC001205637502 800391645 /nfs/dbraw/zinc/39/16/45/800391645.db2.gz HOZIXAQCYBHBBL-OLZOCXBDSA-N 1 3 315.417 2.453 20 0 DEADHO C[C@@H]1CC[N@@H+](Cc2ccc([O-])c3[nH]c(=O)ccc23)CC[C@H]1C[NH3+] ZINC001205637502 800391650 /nfs/dbraw/zinc/39/16/50/800391650.db2.gz HOZIXAQCYBHBBL-OLZOCXBDSA-N 1 3 315.417 2.453 20 0 DEADHO CCc1cccc2c(C[N@@H+]3CCCC[C@](O)(CN)C3)c[nH]c21 ZINC001205673712 800398148 /nfs/dbraw/zinc/39/81/48/800398148.db2.gz SVFQULDDIHLQTE-SFHVURJKSA-N 1 3 301.434 2.406 20 0 DEADHO CCc1cccc2c(C[N@H+]3CCCC[C@](O)(CN)C3)c[nH]c21 ZINC001205673712 800398154 /nfs/dbraw/zinc/39/81/54/800398154.db2.gz SVFQULDDIHLQTE-SFHVURJKSA-N 1 3 301.434 2.406 20 0 DEADHO CCc1cccc2c(CN3CCCC[C@](O)(C[NH3+])C3)c[nH]c21 ZINC001205673712 800398160 /nfs/dbraw/zinc/39/81/60/800398160.db2.gz SVFQULDDIHLQTE-SFHVURJKSA-N 1 3 301.434 2.406 20 0 DEADHO NC[C@]1(O)CCCC[N@H+](Cc2ccccc2-c2cccnc2)C1 ZINC001205681917 800400443 /nfs/dbraw/zinc/40/04/43/800400443.db2.gz OLPHPGDRIWWZRJ-LJQANCHMSA-N 1 3 311.429 2.424 20 0 DEADHO NC[C@]1(O)CCCC[N@@H+](Cc2ccccc2-c2cccnc2)C1 ZINC001205681917 800400448 /nfs/dbraw/zinc/40/04/48/800400448.db2.gz OLPHPGDRIWWZRJ-LJQANCHMSA-N 1 3 311.429 2.424 20 0 DEADHO C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001206513026 800546077 /nfs/dbraw/zinc/54/60/77/800546077.db2.gz XESJZIDHQODOLW-HFTRVMKXSA-N 1 3 304.478 2.414 20 0 DEADHO C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001206513026 800546082 /nfs/dbraw/zinc/54/60/82/800546082.db2.gz XESJZIDHQODOLW-HFTRVMKXSA-N 1 3 304.478 2.414 20 0 DEADHO CC[NH+]1C[C@@H]2CN(CCC3CN(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC001207772108 800828602 /nfs/dbraw/zinc/82/86/02/800828602.db2.gz ANWZJWQWSQVUDN-HZPDHXFCSA-N 1 3 323.481 2.127 20 0 DEADHO Cc1ccc(CCCN2CCC([NH+]3CCN(C)CC3)CC2)o1 ZINC001207948594 800870112 /nfs/dbraw/zinc/87/01/12/800870112.db2.gz WRNFBTDWRUWZRR-UHFFFAOYSA-N 1 3 305.466 2.232 20 0 DEADHO CCOC(=O)C1(F)CCN(CC2(C)CC[NH+](C)CC2)CC1 ZINC001208107548 800913272 /nfs/dbraw/zinc/91/32/72/800913272.db2.gz VPQBVPJXCNMDKC-UHFFFAOYSA-N 1 3 300.418 2.086 20 0 DEADHO CCC(CC)C[NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001208339952 800960055 /nfs/dbraw/zinc/96/00/55/800960055.db2.gz HMTFPAXUJLWSCY-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001208339953 800960105 /nfs/dbraw/zinc/96/01/05/800960105.db2.gz HMTFPAXUJLWSCY-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO COC(=O)[C@@H](C)C[NH+]1CCC2(CCN(Cc3ccoc3)C2)CC1 ZINC001208713954 801053049 /nfs/dbraw/zinc/05/30/49/801053049.db2.gz HNEYMRQFXDHGTA-HNNXBMFYSA-N 1 3 320.433 2.377 20 0 DEADHO COC(=O)[C@H](C)C[NH+]1CCC2(CCN(Cc3ccoc3)C2)CC1 ZINC001208713955 801053445 /nfs/dbraw/zinc/05/34/45/801053445.db2.gz HNEYMRQFXDHGTA-OAHLLOKOSA-N 1 3 320.433 2.377 20 0 DEADHO C[NH+](C)CCN1CCN(CCCCOCc2ccccc2)CC1 ZINC001209255340 801159889 /nfs/dbraw/zinc/15/98/89/801159889.db2.gz ADIBIROVNOGDEL-UHFFFAOYSA-N 1 3 319.493 2.163 20 0 DEADHO CC/C=C\CC[NH+]1CCC(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001229185245 801239144 /nfs/dbraw/zinc/23/91/44/801239144.db2.gz JTXWUADLGTVZMP-YIEVGGLXSA-N 1 3 307.482 2.265 20 0 DEADHO CCN(CC)CC(=O)NC1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC001229679332 801304294 /nfs/dbraw/zinc/30/42/94/801304294.db2.gz WFOCYSZQZKMDQN-UHFFFAOYSA-N 1 3 317.477 2.417 20 0 DEADHO CC[C@@H](F)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001230284673 801381571 /nfs/dbraw/zinc/38/15/71/801381571.db2.gz PXPAKCRFLFUCPV-RBSFLKMASA-N 1 3 301.450 2.092 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCC(C)C)C1 ZINC001211256526 801537905 /nfs/dbraw/zinc/53/79/05/801537905.db2.gz IBRGHZDSFLIKEX-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC/C=C\CC[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001330656820 1149235683 /nfs/dbraw/zinc/23/56/83/1149235683.db2.gz UIACITNGSIWGSE-ZPPHWLAZSA-N 1 3 307.482 2.169 20 0 DEADHO CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001214855841 801766943 /nfs/dbraw/zinc/76/69/43/801766943.db2.gz PEMCVRQRWLBCRV-KBRIMQKVSA-N 1 3 309.498 2.199 20 0 DEADHO CC[NH+](CC)CCN1CCN(Cc2cc3c[nH]ccc-3n2)CC1 ZINC001232010840 801768376 /nfs/dbraw/zinc/76/83/76/801768376.db2.gz DSHOOIFSYXZFAI-UHFFFAOYSA-N 1 3 315.465 2.022 20 0 DEADHO CC[NH+](CC)CCN1CCN(Cc2cc3cnccc3[nH]2)CC1 ZINC001232010840 801768384 /nfs/dbraw/zinc/76/83/84/801768384.db2.gz DSHOOIFSYXZFAI-UHFFFAOYSA-N 1 3 315.465 2.022 20 0 DEADHO CC[C@H](C)C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001215550659 801876344 /nfs/dbraw/zinc/87/63/44/801876344.db2.gz DMYIUMZECKWFAH-ARFHVFGLSA-N 1 3 309.498 2.201 20 0 DEADHO CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001215778355 801903602 /nfs/dbraw/zinc/90/36/02/801903602.db2.gz HVKQVDWJXDXYSK-ZACQAIPSSA-N 1 3 309.498 2.486 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001216001418 801925049 /nfs/dbraw/zinc/92/50/49/801925049.db2.gz APBIMAVCAAXCAM-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO COC(=O)c1cc(CN2CCC3(CC2)CC[NH+](C)CC3)ccn1 ZINC001232772809 801954115 /nfs/dbraw/zinc/95/41/15/801954115.db2.gz IMYSONJGFRQBNE-UHFFFAOYSA-N 1 3 317.433 2.176 20 0 DEADHO Cc1cc(O)cc(CN2CCN(CC3CC[NH+](C)CC3)CC2)c1 ZINC001232881679 801977974 /nfs/dbraw/zinc/97/79/74/801977974.db2.gz HYVFMQVPPOUJMW-UHFFFAOYSA-N 1 3 317.477 2.160 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCC2)C1 ZINC001216851957 802033650 /nfs/dbraw/zinc/03/36/50/802033650.db2.gz MCIKZVIVJYFUCY-NVXWUHKLSA-N 1 3 309.498 2.343 20 0 DEADHO CC1(C)C[NH2+]CCc2ccc(O[C@H]3CC[C@@H]4NCCO[C@H]43)cc21 ZINC001218152777 802147829 /nfs/dbraw/zinc/14/78/29/802147829.db2.gz QPAQVAUKPZYHSB-OKZBNKHCSA-N 1 3 316.445 2.008 20 0 DEADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc2c(c1)NCCC2 ZINC001218903699 802256518 /nfs/dbraw/zinc/25/65/18/802256518.db2.gz XVQMGKFRNFOKSZ-HNNXBMFYSA-N 1 3 304.438 2.042 20 0 DEADHO O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)c1ccc2c(n1)CCNC2 ZINC001218997840 802273473 /nfs/dbraw/zinc/27/34/73/802273473.db2.gz HYLVBHQEIARIQY-CQSZACIVSA-N 1 3 322.412 2.057 20 0 DEADHO O=C(Nc1cccc(-c2cccs2)c1)[C@H]1C[NH2+]CC12CNC2 ZINC001219271172 802304602 /nfs/dbraw/zinc/30/46/02/802304602.db2.gz QBUMTRBMBCTVER-CQSZACIVSA-N 1 3 313.426 2.163 20 0 DEADHO C[NH2+]C(C)(C)C(=O)NCCN1CCC(Cc2ccccc2)CC1 ZINC001219669075 802364896 /nfs/dbraw/zinc/36/48/96/802364896.db2.gz KTFALTOUCYXMIH-UHFFFAOYSA-N 1 3 317.477 2.055 20 0 DEADHO C[NH2+]CCCCNC(=O)C[C@@H](N)c1ccc(C(F)(F)F)cc1 ZINC001220077843 802410237 /nfs/dbraw/zinc/41/02/37/802410237.db2.gz YMKBYYWMDMDGTI-CYBMUJFWSA-N 1 3 317.355 2.211 20 0 DEADHO [NH3+]C1(CNC(=O)[C@@H]2CCC[C@@H](c3ccccc3)N2)CCCC1 ZINC001220496378 802467618 /nfs/dbraw/zinc/46/76/18/802467618.db2.gz BNBSMUOISCVJES-HOTGVXAUSA-N 1 3 301.434 2.258 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NC[C@@H]1CCc2ccccc21 ZINC001221104007 802528614 /nfs/dbraw/zinc/52/86/14/802528614.db2.gz VFSDTETUZQCAJQ-WMZOPIPTSA-N 1 3 317.477 2.328 20 0 DEADHO N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCCCC[NH3+] ZINC001221344653 802558418 /nfs/dbraw/zinc/55/84/18/802558418.db2.gz BKJNOUNWEDJGKA-SFHVURJKSA-N 1 3 311.429 2.079 20 0 DEADHO CC[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC3CCC3)C[C@H]21)N(CC)CC ZINC001221812043 802617564 /nfs/dbraw/zinc/61/75/64/802617564.db2.gz WDBULJJRPPVYNP-FGTMMUONSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC3CCC3)C[C@H]21)N(CC)CC ZINC001221812043 802617569 /nfs/dbraw/zinc/61/75/69/802617569.db2.gz WDBULJJRPPVYNP-FGTMMUONSA-N 1 3 321.509 2.440 20 0 DEADHO CCOC(=O)[C@@]12C[N@H+](C[C@@H]3CC=CCC3)C[C@@H]1CNCCC2 ZINC001222125563 802647326 /nfs/dbraw/zinc/64/73/26/802647326.db2.gz PKQKNCXTCDZUMJ-RYRKJORJSA-N 1 3 306.450 2.207 20 0 DEADHO CCOC(=O)[C@@]12C[N@@H+](C[C@@H]3CC=CCC3)C[C@@H]1CNCCC2 ZINC001222125563 802647330 /nfs/dbraw/zinc/64/73/30/802647330.db2.gz PKQKNCXTCDZUMJ-RYRKJORJSA-N 1 3 306.450 2.207 20 0 DEADHO CCOC(=O)[C@@]12CN(CCc3cccs3)C[C@@H]1C[NH2+]CCC2 ZINC001222125780 802647350 /nfs/dbraw/zinc/64/73/50/802647350.db2.gz WAVLTRPHYRVKQK-YOEHRIQHSA-N 1 3 322.474 2.155 20 0 DEADHO CCOC(=O)[C@@]12C[N@H+](CCc3cccs3)C[C@@H]1CNCCC2 ZINC001222125780 802647352 /nfs/dbraw/zinc/64/73/52/802647352.db2.gz WAVLTRPHYRVKQK-YOEHRIQHSA-N 1 3 322.474 2.155 20 0 DEADHO CCOC(=O)[C@@]12C[N@@H+](CCc3cccs3)C[C@@H]1CNCCC2 ZINC001222125780 802647355 /nfs/dbraw/zinc/64/73/55/802647355.db2.gz WAVLTRPHYRVKQK-YOEHRIQHSA-N 1 3 322.474 2.155 20 0 DEADHO COc1cc(CN2CCC(F)(C[NH3+])CC2)cc2c1OCC=C2 ZINC001222553577 802706444 /nfs/dbraw/zinc/70/64/44/802706444.db2.gz XYMYSXWDPFOGOC-UHFFFAOYSA-N 1 3 306.381 2.364 20 0 DEADHO CC(C)[NH+]1CCC(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001223202253 802773052 /nfs/dbraw/zinc/77/30/52/802773052.db2.gz CBTOACDBUBNQAP-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)[C@H](C(=O)NCC1CC[NH+](CC2CCCC2)CC1)C1CC1 ZINC001223464767 802791799 /nfs/dbraw/zinc/79/17/99/802791799.db2.gz BKQUFZFXCGXKDR-SFHVURJKSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@H](C(=O)NCC1CC[NH+](CCC(F)(F)F)CC1)N(C)C ZINC001223597156 802803048 /nfs/dbraw/zinc/80/30/48/802803048.db2.gz JXFFUGBABROZGT-CYBMUJFWSA-N 1 3 323.403 2.107 20 0 DEADHO CC/C=C/CC[NH+]1CCC(CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001225278499 802950289 /nfs/dbraw/zinc/95/02/89/802950289.db2.gz RTMJILHDGKBGGR-SNAWJCMRSA-N 1 3 318.465 2.445 20 0 DEADHO CN(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1)C1CC1 ZINC001226801481 803162513 /nfs/dbraw/zinc/16/25/13/803162513.db2.gz YMECHNBPXZADAP-ZACQAIPSSA-N 1 3 307.482 2.144 20 0 DEADHO CN(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1)C1CC1 ZINC001226800615 803162775 /nfs/dbraw/zinc/16/27/75/803162775.db2.gz MZUYZMISBXAMFZ-ZACQAIPSSA-N 1 3 307.482 2.144 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CC1CCC1 ZINC001417892981 1167287104 /nfs/dbraw/zinc/28/71/04/1167287104.db2.gz RWJARQJVPNVMDS-RDJZCZTQSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C(=O)[C@H](CC)N(C)C)C1CC[NH+](CCCF)CC1 ZINC001417959131 1167328482 /nfs/dbraw/zinc/32/84/82/1167328482.db2.gz NVNCJKCZEKLBHK-INIZCTEOSA-N 1 3 315.477 2.389 20 0 DEADHO CC[C@@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]C(C)C ZINC001419255879 1168351732 /nfs/dbraw/zinc/35/17/32/1168351732.db2.gz YJPBRKCRAIIEJH-BBRMVZONSA-N 1 3 301.450 2.092 20 0 DEADHO C[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCCN(C/C=C/Cl)C1 ZINC001419629370 1168707558 /nfs/dbraw/zinc/70/75/58/1168707558.db2.gz CYPXVVOIMIYIBV-OVPGCVMQSA-N 1 3 315.889 2.297 20 0 DEADHO CC(C)[NH2+][C@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001419896763 1168896475 /nfs/dbraw/zinc/89/64/75/1168896475.db2.gz AWDWZRFVDIYMGU-RHSMWYFYSA-N 1 3 315.477 2.338 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CC1CCCC1 ZINC001420681138 1169865819 /nfs/dbraw/zinc/86/58/19/1169865819.db2.gz SMOBBMACMSAUIH-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CC1CCCC1 ZINC001420681138 1169865820 /nfs/dbraw/zinc/86/58/20/1169865820.db2.gz SMOBBMACMSAUIH-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[NH2+]C[C@H]1CC[C@H](CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001368343701 1148419562 /nfs/dbraw/zinc/41/95/62/1148419562.db2.gz CJEWQGZLHCGWPE-ULQDDVLXSA-N 1 3 309.498 2.249 20 0 DEADHO CC(C)[NH2+]C[C@H]1CC[C@H](CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001368343696 1148419434 /nfs/dbraw/zinc/41/94/34/1148419434.db2.gz CJEWQGZLHCGWPE-BRWVUGGUSA-N 1 3 309.498 2.249 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@@H](C)[NH2+]C[C@@H](F)CC)CC1 ZINC001404413181 1163621903 /nfs/dbraw/zinc/62/19/03/1163621903.db2.gz VMKTXVKWNJWOCH-ZBFHGGJFSA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(F)cc1C)N(C)C ZINC001368952436 1148804045 /nfs/dbraw/zinc/80/40/45/1148804045.db2.gz KPSCNLXJJPWCSL-WMLDXEAASA-N 1 3 323.456 2.411 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(F)cc1C)N(C)C ZINC001368952436 1148804046 /nfs/dbraw/zinc/80/40/46/1148804046.db2.gz KPSCNLXJJPWCSL-WMLDXEAASA-N 1 3 323.456 2.411 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCCC3)C2)C1 ZINC001368500076 1148468780 /nfs/dbraw/zinc/46/87/80/1148468780.db2.gz IPNKQMHJEZWRGW-BHYGNILZSA-N 1 3 307.482 2.003 20 0 DEADHO C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(-c2nnn[n-]2)cc1F ZINC001603662278 1070029283 /nfs/dbraw/zinc/02/92/83/1070029283.db2.gz JNJDKQQNVCVHOV-YPMHNXCESA-N 1 3 318.400 2.189 20 0 DEADHO C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(-c2nn[n-]n2)cc1F ZINC001603662278 1070029299 /nfs/dbraw/zinc/02/92/99/1070029299.db2.gz JNJDKQQNVCVHOV-YPMHNXCESA-N 1 3 318.400 2.189 20 0 DEADHO Cc1cccc([C@@H](C)N2CC([C@H](C)NC(=O)CC[NH+](C)C)C2)c1 ZINC001369086746 1148846029 /nfs/dbraw/zinc/84/60/29/1148846029.db2.gz KVHRDILFXRROKB-JKSUJKDBSA-N 1 3 317.477 2.444 20 0 DEADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNCc1ccncc1 ZINC001461382413 1058648684 /nfs/dbraw/zinc/64/86/84/1058648684.db2.gz WPNNULBBJXALGD-LJQANCHMSA-N 1 3 311.429 2.328 20 0 DEADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNCc1ccncc1 ZINC001461382413 1058648691 /nfs/dbraw/zinc/64/86/91/1058648691.db2.gz WPNNULBBJXALGD-LJQANCHMSA-N 1 3 311.429 2.328 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CCC2CC2)C1)N(C)C ZINC001500355965 1058719871 /nfs/dbraw/zinc/71/98/71/1058719871.db2.gz IJBBGFGSFZPQDZ-FUHWJXTLSA-N 1 3 309.498 2.201 20 0 DEADHO CO[C@H]([C@H](C)[NH2+]C1CCC(C)(N2CCOCC2)CC1)C1CC1 ZINC001462247049 1058787976 /nfs/dbraw/zinc/78/79/76/1058787976.db2.gz GOPDJBOQVWNXJX-FQXVJMBOSA-N 1 3 310.482 2.423 20 0 DEADHO CC/C=C\CC[NH2+]CC[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001501648086 1059606127 /nfs/dbraw/zinc/60/61/27/1059606127.db2.gz ULWSRBVRNLLUDR-LIMHQNJXSA-N 1 3 307.482 2.267 20 0 DEADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[NH+](CC1CC(C)C1)CC2 ZINC001501749518 1059683299 /nfs/dbraw/zinc/68/32/99/1059683299.db2.gz XHGDAQQXDIZXPD-UHFFFAOYSA-N 1 3 321.509 2.297 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@H]1CCCN(C/C=C\Cl)CC1 ZINC001502135726 1059979921 /nfs/dbraw/zinc/97/99/21/1059979921.db2.gz PUDPMSBDDZWRGL-UQYHUFHVSA-N 1 3 301.862 2.051 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CCC2CC2)C1 ZINC001505537804 1060685036 /nfs/dbraw/zinc/68/50/36/1060685036.db2.gz MNRFWXSVOKXCHO-JCYILVPMSA-N 1 3 307.482 2.145 20 0 DEADHO CO[C@@](C)(C[NH2+]C1CCC(C)(N2CCOCC2)CC1)C1CC1 ZINC001474540990 1060890104 /nfs/dbraw/zinc/89/01/04/1060890104.db2.gz GBDCRWJYGAQWJT-ABHNRTSZSA-N 1 3 310.482 2.425 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC001505736775 1060916067 /nfs/dbraw/zinc/91/60/67/1060916067.db2.gz WHAWWWKNLFJDCD-KBPBESRZSA-N 1 3 309.429 2.150 20 0 DEADHO CC(C)[C@H](CNC(=O)N[C@H]1CCN(C)[C@@H]1C)[NH+]1CCCCCC1 ZINC001479376546 1061422168 /nfs/dbraw/zinc/42/21/68/1061422168.db2.gz QCLTZXRVUJWGOC-IKGGRYGDSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C/C=C/c1ccccc1 ZINC001506056678 1061625426 /nfs/dbraw/zinc/62/54/26/1061625426.db2.gz MYCVABLBCLXLNX-HQWTUQCVSA-N 1 3 315.461 2.088 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C/C=C/c1ccccc1 ZINC001506056678 1061625435 /nfs/dbraw/zinc/62/54/35/1061625435.db2.gz MYCVABLBCLXLNX-HQWTUQCVSA-N 1 3 315.461 2.088 20 0 DEADHO Cc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN(C)C(C)C)C2)cs1 ZINC001369186340 1148864572 /nfs/dbraw/zinc/86/45/72/1148864572.db2.gz PVJGAVURLZPMGT-KOMQPUFPSA-N 1 3 323.506 2.381 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001480171792 1062425421 /nfs/dbraw/zinc/42/54/21/1062425421.db2.gz GBBREFSGOFTNAH-CYDGBPFRSA-N 1 3 321.387 2.048 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CNC(=O)CN2CC[C@@H](C)C2)c(C)c1 ZINC001480537895 1062998952 /nfs/dbraw/zinc/99/89/52/1062998952.db2.gz RAUHPNFAAXXNLF-NVXWUHKLSA-N 1 3 317.477 2.240 20 0 DEADHO Cc1cccc(Cl)c1CN[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001480590930 1063079911 /nfs/dbraw/zinc/07/99/11/1063079911.db2.gz XZBHOQSOPBXIPF-ZIAGYGMSSA-N 1 3 323.868 2.194 20 0 DEADHO Cc1cccc(Cl)c1CN[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001480590930 1063079936 /nfs/dbraw/zinc/07/99/36/1063079936.db2.gz XZBHOQSOPBXIPF-ZIAGYGMSSA-N 1 3 323.868 2.194 20 0 DEADHO C[C@@H](F)CC[NH2+][C@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001480595488 1063084570 /nfs/dbraw/zinc/08/45/70/1063084570.db2.gz BIKIAFZIPCVPKH-ZIAGYGMSSA-N 1 3 309.429 2.204 20 0 DEADHO C[C@@H](CNC(=O)CCC[NH+]1CCCC1)NCc1cccc(F)c1 ZINC001480597516 1063090013 /nfs/dbraw/zinc/09/00/13/1063090013.db2.gz QKNHQMGKCOXFSO-HNNXBMFYSA-N 1 3 321.440 2.296 20 0 DEADHO CCC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)CC[C@H]1C(F)(F)F ZINC001508085562 1063544955 /nfs/dbraw/zinc/54/49/55/1063544955.db2.gz MLZOTEQEAIEQHX-CHWSQXEVSA-N 1 3 323.403 2.107 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2CC[N@H+](CC3CCCC3)C2)CCC1 ZINC001493210289 1063641391 /nfs/dbraw/zinc/64/13/91/1063641391.db2.gz IRJNQQBAJICADM-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2CC[N@@H+](CC3CCCC3)C2)CCC1 ZINC001493210289 1063641397 /nfs/dbraw/zinc/64/13/97/1063641397.db2.gz IRJNQQBAJICADM-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001494073565 1064112424 /nfs/dbraw/zinc/11/24/24/1064112424.db2.gz AODLHRFVDWMHKK-HNNXBMFYSA-N 1 3 306.454 2.135 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001494073565 1064112429 /nfs/dbraw/zinc/11/24/29/1064112429.db2.gz AODLHRFVDWMHKK-HNNXBMFYSA-N 1 3 306.454 2.135 20 0 DEADHO CC[C@H](C(=O)N[C@@](C)(C[NH2+]CCC(F)(F)F)C1CC1)N(C)C ZINC001495293543 1064813551 /nfs/dbraw/zinc/81/35/51/1064813551.db2.gz NLTMCDDUEHASMB-OCCSQVGLSA-N 1 3 323.403 2.154 20 0 DEADHO CCCCC[NH+]1CC2(C1)CCN(C(=O)CN1CC[C@H](C)C1)CC2 ZINC001495979285 1065204128 /nfs/dbraw/zinc/20/41/28/1065204128.db2.gz XFSPRPDGOLQDTH-KRWDZBQOSA-N 1 3 321.509 2.443 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+]C/C=C/CNC(=O)CN2CCCC2)c1 ZINC001568963559 1065215595 /nfs/dbraw/zinc/21/55/95/1065215595.db2.gz CZQOJKIZCYYPDA-REMYHPOOSA-N 1 3 315.461 2.414 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]C/C=C/CNC(=O)CN(C)C(C)C ZINC001568969603 1065220786 /nfs/dbraw/zinc/22/07/86/1065220786.db2.gz MXHJNECPMUUUFY-AATRIKPKSA-N 1 3 321.440 2.236 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1=CCCCC1 ZINC001569099130 1065283980 /nfs/dbraw/zinc/28/39/80/1065283980.db2.gz RDMPSNDYTLUZEV-RDJZCZTQSA-N 1 3 307.482 2.456 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@H]1CC[NH2+]C/C=C\Cl ZINC001496402710 1065449752 /nfs/dbraw/zinc/44/97/52/1065449752.db2.gz DDFRJQVXPDYFTQ-HBXAWUERSA-N 1 3 313.873 2.194 20 0 DEADHO CCC[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001569668910 1065660353 /nfs/dbraw/zinc/66/03/53/1065660353.db2.gz CVRZOJVUABPAOM-GOSISDBHSA-N 1 3 309.498 2.489 20 0 DEADHO CC1CCC(C[N@H+](C)CCN(C)C(=O)CN2CCCC2)CC1 ZINC001496835178 1065743314 /nfs/dbraw/zinc/74/33/14/1065743314.db2.gz HEUWVAMACBSBLG-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CC1CCC(C[N@@H+](C)CCN(C)C(=O)CN2CCCC2)CC1 ZINC001496835178 1065743323 /nfs/dbraw/zinc/74/33/23/1065743323.db2.gz HEUWVAMACBSBLG-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CCC(CC)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001569994182 1065867404 /nfs/dbraw/zinc/86/74/04/1065867404.db2.gz FXWVUBJQPYNPHG-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)(N)C[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001575354309 1066273436 /nfs/dbraw/zinc/27/34/36/1066273436.db2.gz MLMUSAZWXUWTRP-MELADBBJSA-N 1 3 311.470 2.349 20 0 DEADHO CC(C)(N)C[N@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001575354309 1066273446 /nfs/dbraw/zinc/27/34/46/1066273446.db2.gz MLMUSAZWXUWTRP-MELADBBJSA-N 1 3 311.470 2.349 20 0 DEADHO C[C@H](NC/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1)c1cccc(F)c1 ZINC001497750202 1066285261 /nfs/dbraw/zinc/28/52/61/1066285261.db2.gz QXHNTZDPSNGKQI-XJNRFOTBSA-N 1 3 319.424 2.100 20 0 DEADHO C[C@H](NC/C=C\CNC(=O)[C@H]1CC[N@@H+](C)C1)c1cccc(F)c1 ZINC001497750202 1066285277 /nfs/dbraw/zinc/28/52/77/1066285277.db2.gz QXHNTZDPSNGKQI-XJNRFOTBSA-N 1 3 319.424 2.100 20 0 DEADHO C[C@H](CCN)[NH2+]CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001575961127 1066466932 /nfs/dbraw/zinc/46/69/32/1066466932.db2.gz BJNRFDTVFKPOGI-FFHGMXDLSA-N 1 3 311.470 2.491 20 0 DEADHO C[C@H](CCN)[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001575962042 1066466951 /nfs/dbraw/zinc/46/69/51/1066466951.db2.gz JVZFLRAYYQLTEQ-CBBWQLFWSA-N 1 3 311.470 2.349 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CC1CCC(C)CC1)N(C)C ZINC001498106959 1066507120 /nfs/dbraw/zinc/50/71/20/1066507120.db2.gz VPYKTGOATALKBN-ODZFXCKXSA-N 1 3 311.514 2.493 20 0 DEADHO CC1(C)[C@H](N)C[C@@H]1[NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001576381734 1066581256 /nfs/dbraw/zinc/58/12/56/1066581256.db2.gz FMOFMZAWSWFZAJ-OAGGEKHMSA-N 1 3 317.433 2.113 20 0 DEADHO C[C@@]1(c2ccccc2)CC[C@@H](NCc2cn(C3C[NH2+]C3)nn2)C1 ZINC001576559611 1066635867 /nfs/dbraw/zinc/63/58/67/1066635867.db2.gz CKYQAHGXGNYNLQ-CRAIPNDOSA-N 1 3 311.433 2.022 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN[C@@H](C)[C@H]1C ZINC001577458054 1066848178 /nfs/dbraw/zinc/84/81/78/1066848178.db2.gz QXTGEQISJAKQCQ-ARFHVFGLSA-N 1 3 310.486 2.033 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN[C@@H](C)[C@H]1C ZINC001577458054 1066848182 /nfs/dbraw/zinc/84/81/82/1066848182.db2.gz QXTGEQISJAKQCQ-ARFHVFGLSA-N 1 3 310.486 2.033 20 0 DEADHO CCC[NH2+][C@@H](C)C(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC001577548393 1066871929 /nfs/dbraw/zinc/87/19/29/1066871929.db2.gz PZKIAGOQWNIJTL-INIZCTEOSA-N 1 3 317.477 2.498 20 0 DEADHO CCN(C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[C@@H]1CCN(C)C1 ZINC001577641682 1066893886 /nfs/dbraw/zinc/89/38/86/1066893886.db2.gz QVVDDDQBXFSPHP-CYBMUJFWSA-N 1 3 320.412 2.029 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@]12CC[C@H]1C[NH2+]C2)c1ccsc1 ZINC001577681495 1066903154 /nfs/dbraw/zinc/90/31/54/1066903154.db2.gz WNRSHVRGAMAMSO-ZOBUZTSGSA-N 1 3 321.490 2.247 20 0 DEADHO CC[NH2+]CC1CCN(Cc2ccc(/C=C/C(=O)OC)o2)CC1 ZINC001577837294 1066935770 /nfs/dbraw/zinc/93/57/70/1066935770.db2.gz JBLXZSMLVBAPBR-VOTSOKGWSA-N 1 3 306.406 2.287 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C[C@@H](N)c3ccccc3)C[C@H]2C1 ZINC001578410957 1067090123 /nfs/dbraw/zinc/09/01/23/1067090123.db2.gz NRIZCBCYTBNNFI-BRSBDYLESA-N 1 3 315.461 2.265 20 0 DEADHO CN(CC1CC[NH2+]CC1)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC001578458701 1067108916 /nfs/dbraw/zinc/10/89/16/1067108916.db2.gz TVOKUMHNIDSLTQ-MRXNPFEDSA-N 1 3 321.852 2.377 20 0 DEADHO COC(=O)[C@H]1CN(C[C@H](C)CC2CCCCC2)CC12C[NH2+]C2 ZINC001578797393 1067173656 /nfs/dbraw/zinc/17/36/56/1067173656.db2.gz PBYHNNINLZTBAK-GDBMZVCRSA-N 1 3 308.466 2.287 20 0 DEADHO CSCC[C@@H](N)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC001579377850 1067320260 /nfs/dbraw/zinc/32/02/60/1067320260.db2.gz YJZXUMMLHYWWKY-CABCVRRESA-N 1 3 307.463 2.254 20 0 DEADHO Cc1ccc(-c2noc(CCCN[C@H](C[NH3+])C3CC3)n2)cc1F ZINC001579655848 1067397736 /nfs/dbraw/zinc/39/77/36/1067397736.db2.gz KURGVLWHSSBNSS-OAHLLOKOSA-N 1 3 318.396 2.444 20 0 DEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)N1CCCc2ccccc21 ZINC001580261978 1067546222 /nfs/dbraw/zinc/54/62/22/1067546222.db2.gz ONGIQIKIOTZGGC-DLBZAZTESA-N 1 3 315.461 2.463 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCC(=O)N1CCCc2ccccc21 ZINC001580261978 1067546226 /nfs/dbraw/zinc/54/62/26/1067546226.db2.gz ONGIQIKIOTZGGC-DLBZAZTESA-N 1 3 315.461 2.463 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[NH2+]Cc1ccc(CF)cc1 ZINC001267117303 1078594911 /nfs/dbraw/zinc/59/49/11/1078594911.db2.gz QDZSGLYXIMAXOX-UHFFFAOYSA-N 1 3 309.429 2.044 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C[NH2+]CC1=CCCCC1)C1CC1)N(C)C ZINC001483568340 1078602500 /nfs/dbraw/zinc/60/25/00/1078602500.db2.gz FIKUALCDUJYZCY-DLBZAZTESA-N 1 3 307.482 2.311 20 0 DEADHO CC(C)N(C)CC(=O)NCC1=CC[N@H+](CC2CCCC2)CC1 ZINC001571701053 1068489650 /nfs/dbraw/zinc/48/96/50/1068489650.db2.gz WOWKFJPXUBXRCZ-UHFFFAOYSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)N(C)CC(=O)NCC1=CC[N@@H+](CC2CCCC2)CC1 ZINC001571701053 1068489653 /nfs/dbraw/zinc/48/96/53/1068489653.db2.gz WOWKFJPXUBXRCZ-UHFFFAOYSA-N 1 3 307.482 2.265 20 0 DEADHO CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001484367374 1079570292 /nfs/dbraw/zinc/57/02/92/1079570292.db2.gz CPUPYPFLYZDRCC-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCC[C@@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001272419845 1078858786 /nfs/dbraw/zinc/85/87/86/1078858786.db2.gz ISQJCMRADDMBSJ-AEFFLSMTSA-N 1 3 309.498 2.299 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCC[C@@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001272419845 1078858793 /nfs/dbraw/zinc/85/87/93/1078858793.db2.gz ISQJCMRADDMBSJ-AEFFLSMTSA-N 1 3 309.498 2.299 20 0 DEADHO CCc1cccc(C[NH2+]CCN(C)C(=O)[C@@H](CC)N(C)C)c1 ZINC001267456638 1078865114 /nfs/dbraw/zinc/86/51/14/1078865114.db2.gz DZYBGPMUXFDQJE-QGZVFWFLSA-N 1 3 305.466 2.137 20 0 DEADHO O[C@]1(C[NH+]2CCC(Cc3cccc(F)c3F)CC2)CCCNC1 ZINC001574440296 1069226380 /nfs/dbraw/zinc/22/63/80/1069226380.db2.gz BFFMXCQXNRDASE-GOSISDBHSA-N 1 3 324.415 2.334 20 0 DEADHO CC(C)N(CCF)CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001267511944 1078941228 /nfs/dbraw/zinc/94/12/28/1078941228.db2.gz ZLTCBGJYJFWZKM-HZPDHXFCSA-N 1 3 315.477 2.293 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCCC2CCC2)C1 ZINC001272523498 1078947881 /nfs/dbraw/zinc/94/78/81/1078947881.db2.gz HWRMJTRHGVKRPV-ZWKOTPCHSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)N(CCN(C)C)C3CCCC3)C[N@@H+]2C1 ZINC001548646950 1072757250 /nfs/dbraw/zinc/75/72/50/1072757250.db2.gz LJLKXNQMNOWQTJ-JFIYKMOQSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)N(CCN(C)C)C3CCCC3)C[N@H+]2C1 ZINC001548646950 1072757268 /nfs/dbraw/zinc/75/72/68/1072757268.db2.gz LJLKXNQMNOWQTJ-JFIYKMOQSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NC[C@@H]3CCCCN3C3CC3)C[N@H+]2C1 ZINC001548694018 1072810832 /nfs/dbraw/zinc/81/08/32/1072810832.db2.gz KIDRDXCPQBAMQK-FZCLSBEQSA-N 1 3 319.493 2.240 20 0 DEADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NC[C@@H]3CCCCN3C3CC3)C[N@@H+]2C1 ZINC001548694018 1072810827 /nfs/dbraw/zinc/81/08/27/1072810827.db2.gz KIDRDXCPQBAMQK-FZCLSBEQSA-N 1 3 319.493 2.240 20 0 DEADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(C)CCN3CCCCC3)C[N@@H+]2C1 ZINC001548726722 1072845750 /nfs/dbraw/zinc/84/57/50/1072845750.db2.gz ZXFFMNLQGLZUOF-IKGGRYGDSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(C)CCN3CCCCC3)C[N@H+]2C1 ZINC001548726722 1072845752 /nfs/dbraw/zinc/84/57/52/1072845752.db2.gz ZXFFMNLQGLZUOF-IKGGRYGDSA-N 1 3 307.482 2.051 20 0 DEADHO O[C@@H]1CCN(CCC[N@@H+]2CC[C@H](O)C23CCCC3)C12CCCC2 ZINC001645801361 1079002352 /nfs/dbraw/zinc/00/23/52/1079002352.db2.gz HBMAESBMPVJXLN-CALCHBBNSA-N 1 3 322.493 2.135 20 0 DEADHO O[C@@H]1CCN(CCC[N@H+]2CC[C@H](O)C23CCCC3)C12CCCC2 ZINC001645801361 1079002358 /nfs/dbraw/zinc/00/23/58/1079002358.db2.gz HBMAESBMPVJXLN-CALCHBBNSA-N 1 3 322.493 2.135 20 0 DEADHO O[C@@H]1CC[N@@H+](CCCN2CC[C@H](O)C23CCCC3)C12CCCC2 ZINC001645801361 1079002367 /nfs/dbraw/zinc/00/23/67/1079002367.db2.gz HBMAESBMPVJXLN-CALCHBBNSA-N 1 3 322.493 2.135 20 0 DEADHO O[C@@H]1CC[N@H+](CCCN2CC[C@H](O)C23CCCC3)C12CCCC2 ZINC001645801361 1079002376 /nfs/dbraw/zinc/00/23/76/1079002376.db2.gz HBMAESBMPVJXLN-CALCHBBNSA-N 1 3 322.493 2.135 20 0 DEADHO O=C([C@@H]1CCCCN1C1CCCC1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001645814203 1079006852 /nfs/dbraw/zinc/00/68/52/1079006852.db2.gz WIVURMLNFCHILN-ROUUACIJSA-N 1 3 319.493 2.480 20 0 DEADHO O=C([C@@H]1CCCCN1C1CCCC1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001645814203 1079006857 /nfs/dbraw/zinc/00/68/57/1079006857.db2.gz WIVURMLNFCHILN-ROUUACIJSA-N 1 3 319.493 2.480 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)C1C[NH+](CCC(C)(C)C)C1 ZINC001409906302 1079087642 /nfs/dbraw/zinc/08/76/42/1079087642.db2.gz GVOIQBGOIHROJI-AWEZNQCLSA-N 1 3 309.498 2.343 20 0 DEADHO O=C(NC[C@@H]1CCN1C1CCCC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001550328977 1073596337 /nfs/dbraw/zinc/59/63/37/1073596337.db2.gz GCGRNGHKLKXPTG-IKGGRYGDSA-N 1 3 305.466 2.136 20 0 DEADHO O=C(NC[C@@H]1CCN1C1CCCC1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001550328977 1073596346 /nfs/dbraw/zinc/59/63/46/1073596346.db2.gz GCGRNGHKLKXPTG-IKGGRYGDSA-N 1 3 305.466 2.136 20 0 DEADHO COc1ccsc1CN[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@@H]1O ZINC001550422435 1073646538 /nfs/dbraw/zinc/64/65/38/1073646538.db2.gz WFBZMIQWBZXUFC-GFOFROLCSA-N 1 3 324.490 2.326 20 0 DEADHO COc1ccsc1CN[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@@H]1O ZINC001550422435 1073646540 /nfs/dbraw/zinc/64/65/40/1073646540.db2.gz WFBZMIQWBZXUFC-GFOFROLCSA-N 1 3 324.490 2.326 20 0 DEADHO COC1(OC)CC[C@@H]1[NH2+]C[C@H]1CN(C)C[C@@H]1c1ccccc1 ZINC001550512204 1073684104 /nfs/dbraw/zinc/68/41/04/1073684104.db2.gz STJSOSCGYVRRKU-BBWFWOEESA-N 1 3 304.434 2.073 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)CC(C)(C)C[NH2+]C/C=C/Cl)C1 ZINC001329335046 1148885485 /nfs/dbraw/zinc/88/54/85/1148885485.db2.gz HWEMIOBLEBDMLM-DYLGSBMWSA-N 1 3 315.889 2.155 20 0 DEADHO C[C@H](N[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1)C1([NH3+])CC1 ZINC001550696444 1073809214 /nfs/dbraw/zinc/80/92/14/1073809214.db2.gz TZYLXRIDQAEEMI-BPUTZDHNSA-N 1 3 301.434 2.197 20 0 DEADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2conc2C2CC2)C1 ZINC001550701944 1073811885 /nfs/dbraw/zinc/81/18/85/1073811885.db2.gz ITZNBGODIFPUPX-OAGGEKHMSA-N 1 3 305.422 2.413 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC001550865648 1073921592 /nfs/dbraw/zinc/92/15/92/1073921592.db2.gz CXLYLCPBPMWKCM-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC001550865648 1073921596 /nfs/dbraw/zinc/92/15/96/1073921596.db2.gz CXLYLCPBPMWKCM-IRXDYDNUSA-N 1 3 307.482 2.240 20 0 DEADHO CCCCC[NH2+]C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001483951104 1079207181 /nfs/dbraw/zinc/20/71/81/1079207181.db2.gz YRSLLWUPCDXCFZ-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)c1cnn(C)c1 ZINC001551390847 1074201381 /nfs/dbraw/zinc/20/13/81/1074201381.db2.gz OQOXFKHZMZTHBF-OOHWJJMZSA-N 1 3 306.454 2.104 20 0 DEADHO C[NH2+][C@H](C)CCNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001649837120 1079252083 /nfs/dbraw/zinc/25/20/83/1079252083.db2.gz MHEIDHVTVAMIGN-VYDXJSESSA-N 1 3 318.465 2.119 20 0 DEADHO CCCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1csc(C)c1 ZINC001481154289 1079261690 /nfs/dbraw/zinc/26/16/90/1079261690.db2.gz QWOGCPRMBAOXGM-MRXNPFEDSA-N 1 3 323.506 2.336 20 0 DEADHO CCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1csc(C)c1 ZINC001481154289 1079261695 /nfs/dbraw/zinc/26/16/95/1079261695.db2.gz QWOGCPRMBAOXGM-MRXNPFEDSA-N 1 3 323.506 2.336 20 0 DEADHO [NH3+]CC1CCC(CNC(=O)C[C@H]2NCc3ccccc32)CC1 ZINC001552429622 1074575723 /nfs/dbraw/zinc/57/57/23/1074575723.db2.gz JLENUYYBCVNJOC-MQBCKMQZSA-N 1 3 301.434 2.102 20 0 DEADHO C[C@@H](CNC(=O)c1cc2c(s1)C[NH2+]CC2)N1CCC(C)CC1 ZINC001646740329 1074591078 /nfs/dbraw/zinc/59/10/78/1074591078.db2.gz ODPOXGWQNBMPCX-ZDUSSCGKSA-N 1 3 321.490 2.244 20 0 DEADHO O=C(N[C@H]1CC[NH2+]C2(CCCCC2)C1)c1cccc2c1CNC2 ZINC001552926300 1074696751 /nfs/dbraw/zinc/69/67/51/1074696751.db2.gz WCOHREAUGDRRLY-HNNXBMFYSA-N 1 3 313.445 2.475 20 0 DEADHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001369280864 1148890153 /nfs/dbraw/zinc/89/01/53/1148890153.db2.gz BECICIMGLYXJSD-RHSMWYFYSA-N 1 3 323.456 2.411 20 0 DEADHO C[C@@H]([NH3+])c1ccc(NC(=O)c2cnc([C@@H]3CCCN3)nc2)cc1 ZINC001553360067 1074847970 /nfs/dbraw/zinc/84/79/70/1074847970.db2.gz YKZRMJQQISHIKU-ABAIWWIYSA-N 1 3 311.389 2.173 20 0 DEADHO C[C@H]1CCC[C@H](C)N1C(=O)CN1CCCC2(CC[NH2+]CC2)C1 ZINC001647244208 1074855169 /nfs/dbraw/zinc/85/51/69/1074855169.db2.gz RJZQVSALXQEQFB-HOTGVXAUSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC001647245974 1074855987 /nfs/dbraw/zinc/85/59/87/1074855987.db2.gz KUJCJIOYXVQWAB-DOTOQJQBSA-N 1 3 309.498 2.440 20 0 DEADHO CCCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001647248174 1074856827 /nfs/dbraw/zinc/85/68/27/1074856827.db2.gz NUSDPMCQZJUKFZ-KZNAEPCWSA-N 1 3 321.509 2.489 20 0 DEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001553485871 1074891517 /nfs/dbraw/zinc/89/15/17/1074891517.db2.gz BVSHQUNWSANUOI-QAPCUYQASA-N 1 3 322.497 2.034 20 0 DEADHO CSc1ccc(OC[C@H](O)CNC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC001647565026 1074947687 /nfs/dbraw/zinc/94/76/87/1074947687.db2.gz WQUOPHUDUSPOTM-LSDHHAIUSA-N 1 3 324.490 2.080 20 0 DEADHO CSc1ccc(OC[C@H](O)CNC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001647565026 1074947689 /nfs/dbraw/zinc/94/76/89/1074947689.db2.gz WQUOPHUDUSPOTM-LSDHHAIUSA-N 1 3 324.490 2.080 20 0 DEADHO CN(C)C1(C(=O)NCCC[N@H+](C)CC2CC(C)(C)C2)CCC1 ZINC001566460749 1075250376 /nfs/dbraw/zinc/25/03/76/1075250376.db2.gz BSHOLTOIYHBGAB-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CN(C)C1(C(=O)NCCC[N@@H+](C)CC2CC(C)(C)C2)CCC1 ZINC001566460749 1075250379 /nfs/dbraw/zinc/25/03/79/1075250379.db2.gz BSHOLTOIYHBGAB-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CN(C)[C@@H]1CCC[N@H+](C[C@@H](O)CC[C@H](O)c2ccccc2)CC1 ZINC001650057195 1079383160 /nfs/dbraw/zinc/38/31/60/1079383160.db2.gz CCQKPNYVBTZEDI-QYZOEREBSA-N 1 3 320.477 2.277 20 0 DEADHO CN(C)[C@@H]1CCC[N@@H+](C[C@@H](O)CC[C@H](O)c2ccccc2)CC1 ZINC001650057195 1079383165 /nfs/dbraw/zinc/38/31/65/1079383165.db2.gz CCQKPNYVBTZEDI-QYZOEREBSA-N 1 3 320.477 2.277 20 0 DEADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+]1CCCC1 ZINC001267716127 1079404107 /nfs/dbraw/zinc/40/41/07/1079404107.db2.gz HINBJZGBMXTVIP-IRXDYDNUSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001567109629 1075433277 /nfs/dbraw/zinc/43/32/77/1075433277.db2.gz ZIWWLAXZRMSVFF-ZDUSSCGKSA-N 1 3 323.403 2.250 20 0 DEADHO [NH3+]Cc1cccc(CN2CCCC[C@@H]2COC(=O)NC2CC2)c1 ZINC001580342882 1075906999 /nfs/dbraw/zinc/90/69/99/1075906999.db2.gz MJZBCOPULHQCBA-QGZVFWFLSA-N 1 3 317.433 2.388 20 0 DEADHO O[C@@H](CN1CCC([C@@H]2[NH2+]CC23CCC3)CC1)CC(F)(F)F ZINC001580877899 1076011021 /nfs/dbraw/zinc/01/10/21/1076011021.db2.gz GMORDKODDSDGKK-OLZOCXBDSA-N 1 3 306.372 2.154 20 0 DEADHO O[C@@H]1CCc2ccccc2[C@@H]1NCc1cccc2c1CC[NH2+]C2 ZINC001580884833 1076013943 /nfs/dbraw/zinc/01/39/43/1076013943.db2.gz RXPPTYRSIPVNOM-UXHICEINSA-N 1 3 308.425 2.470 20 0 DEADHO CC[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC001590471157 1076635811 /nfs/dbraw/zinc/63/58/11/1076635811.db2.gz XYYMUUNJVNKIKY-DAXOMENPSA-N 1 3 314.437 2.153 20 0 DEADHO CC[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590471157 1076635812 /nfs/dbraw/zinc/63/58/12/1076635812.db2.gz XYYMUUNJVNKIKY-DAXOMENPSA-N 1 3 314.437 2.153 20 0 DEADHO c1cc2c(cc1-c1nnn[n-]1)CCCC[C@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC001609022446 1077743962 /nfs/dbraw/zinc/74/39/62/1077743962.db2.gz SGDHAYIJGOCBPR-QGZVFWFLSA-N 1 3 324.432 2.144 20 0 DEADHO c1cc2c(cc1-c1nn[n-]n1)CCCC[C@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC001609022446 1077743968 /nfs/dbraw/zinc/74/39/68/1077743968.db2.gz SGDHAYIJGOCBPR-QGZVFWFLSA-N 1 3 324.432 2.144 20 0 DEADHO CC[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609193192 1077791738 /nfs/dbraw/zinc/79/17/38/1077791738.db2.gz BNYDXKRJPSWDMM-OAHLLOKOSA-N 1 3 314.437 2.297 20 0 DEADHO CC[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609193192 1077791740 /nfs/dbraw/zinc/79/17/40/1077791740.db2.gz BNYDXKRJPSWDMM-OAHLLOKOSA-N 1 3 314.437 2.297 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@]1(C[NH2+]CCCF)CCCC[C@@H]1C ZINC001267873605 1079561863 /nfs/dbraw/zinc/56/18/63/1079561863.db2.gz JVGSGPBDVATGJC-SUMWQHHRSA-N 1 3 324.444 2.275 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC001650413646 1079602653 /nfs/dbraw/zinc/60/26/53/1079602653.db2.gz QCXKTENWTGDNHO-OWCLPIDISA-N 1 3 307.482 2.369 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001267960941 1079640814 /nfs/dbraw/zinc/64/08/14/1079640814.db2.gz SJQBKEAQSROAJA-IAGOWNOFSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@H](C(=O)N(C)CC[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C ZINC001481304241 1079692946 /nfs/dbraw/zinc/69/29/46/1079692946.db2.gz NFOGNKOSHDWDAY-QGZVFWFLSA-N 1 3 316.449 2.056 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CCCC2CCCC2)CC1 ZINC001670891268 1079695351 /nfs/dbraw/zinc/69/53/51/1079695351.db2.gz LGDDFTOINZPDCE-UHFFFAOYSA-N 1 3 318.465 2.469 20 0 DEADHO CC[C@@H]([NH2+]CCN(C)C(=O)CN1CCCC1)c1ccccc1 ZINC001481314238 1079709237 /nfs/dbraw/zinc/70/92/37/1079709237.db2.gz BUKGSLXDXWNHIK-QGZVFWFLSA-N 1 3 303.450 2.282 20 0 DEADHO CC[C@H](F)CNC1(CNC(=O)CC[NH+]2CCCCC2)CCC1 ZINC001484663140 1079717022 /nfs/dbraw/zinc/71/70/22/1079717022.db2.gz IZCGUINQJGSGTJ-HNNXBMFYSA-N 1 3 313.461 2.239 20 0 DEADHO CC[C@@H](F)CNC1(CNC(=O)CC[NH+]2CCCCC2)CCC1 ZINC001484663141 1079717084 /nfs/dbraw/zinc/71/70/84/1079717084.db2.gz IZCGUINQJGSGTJ-OAHLLOKOSA-N 1 3 313.461 2.239 20 0 DEADHO CN(CCC[N@H+](C)CCCC1CCC1)C(=O)[C@@H]1CCCN1C ZINC001484735833 1079769372 /nfs/dbraw/zinc/76/93/72/1079769372.db2.gz DKWIAYQRVIAJJD-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CN(CCC[N@@H+](C)CCCC1CCC1)C(=O)[C@@H]1CCCN1C ZINC001484735833 1079769379 /nfs/dbraw/zinc/76/93/79/1079769379.db2.gz DKWIAYQRVIAJJD-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CN(CCC[N@H+](C)Cc1ccc(F)cc1)C(=O)CN1CCCC1 ZINC001484768731 1079795075 /nfs/dbraw/zinc/79/50/75/1079795075.db2.gz WMBOLACGTSQOSI-UHFFFAOYSA-N 1 3 321.440 2.202 20 0 DEADHO CN(CCC[N@@H+](C)Cc1ccc(F)cc1)C(=O)CN1CCCC1 ZINC001484768731 1079795081 /nfs/dbraw/zinc/79/50/81/1079795081.db2.gz WMBOLACGTSQOSI-UHFFFAOYSA-N 1 3 321.440 2.202 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC(C[N@H+](C)CC2CCC2)CC1 ZINC001481521673 1079990660 /nfs/dbraw/zinc/99/06/60/1079990660.db2.gz NDUCHRDZVAZPJQ-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC(C[N@@H+](C)CC2CCC2)CC1 ZINC001481521673 1079990667 /nfs/dbraw/zinc/99/06/67/1079990667.db2.gz NDUCHRDZVAZPJQ-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C1C[NH+](CC2CC3(CCC3)C2)C1 ZINC001485532247 1080288295 /nfs/dbraw/zinc/28/82/95/1080288295.db2.gz DWJIKAWSKVFOBA-OAHLLOKOSA-N 1 3 321.509 2.345 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CCCC(C)C ZINC001481681659 1080292583 /nfs/dbraw/zinc/29/25/83/1080292583.db2.gz OJENNLCJSABZCS-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CCCC(C)C ZINC001481681659 1080292588 /nfs/dbraw/zinc/29/25/88/1080292588.db2.gz OJENNLCJSABZCS-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(CC2=CCCCC2)C1 ZINC001481695455 1080314710 /nfs/dbraw/zinc/31/47/10/1080314710.db2.gz KQBVWCJWFYSNTK-KRWDZBQOSA-N 1 3 307.482 2.409 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(CC2=CCCCC2)C1 ZINC001481695455 1080314714 /nfs/dbraw/zinc/31/47/14/1080314714.db2.gz KQBVWCJWFYSNTK-KRWDZBQOSA-N 1 3 307.482 2.409 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCC3CC3)C[C@@H]2C1 ZINC001485658836 1080350020 /nfs/dbraw/zinc/35/00/20/1080350020.db2.gz YXNUCASENIIPHU-FGTMMUONSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2C1 ZINC001485658836 1080350024 /nfs/dbraw/zinc/35/00/24/1080350024.db2.gz YXNUCASENIIPHU-FGTMMUONSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCC3CC3)C[C@H]2C1 ZINC001485658841 1080350153 /nfs/dbraw/zinc/35/01/53/1080350153.db2.gz YXNUCASENIIPHU-RCCFBDPRSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCC3CC3)C[C@H]2C1 ZINC001485658841 1080350157 /nfs/dbraw/zinc/35/01/57/1080350157.db2.gz YXNUCASENIIPHU-RCCFBDPRSA-N 1 3 321.509 2.343 20 0 DEADHO CCCCC[N@@H+]1CCCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001485663673 1080353306 /nfs/dbraw/zinc/35/33/06/1080353306.db2.gz AXEYMMLEEBDTLK-QGZVFWFLSA-N 1 3 321.509 2.443 20 0 DEADHO CCCCC[N@H+]1CCCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001485663673 1080353309 /nfs/dbraw/zinc/35/33/09/1080353309.db2.gz AXEYMMLEEBDTLK-QGZVFWFLSA-N 1 3 321.509 2.443 20 0 DEADHO CCN1CCN(CCC[NH2+]Cc2ccc3ncccc3c2)CC1 ZINC001660906457 1080414040 /nfs/dbraw/zinc/41/40/40/1080414040.db2.gz BKEGNOWRTJMXGX-UHFFFAOYSA-N 1 3 312.461 2.352 20 0 DEADHO Cc1cc(C[NH2+]CC[C@H](C)NC(=O)CN(C)C(C)C)cs1 ZINC001268427389 1080459330 /nfs/dbraw/zinc/45/93/30/1080459330.db2.gz WVRIFYCMPITXQV-ZDUSSCGKSA-N 1 3 311.495 2.381 20 0 DEADHO CC(C)CC[NH2+]C[C@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001661947552 1080549526 /nfs/dbraw/zinc/54/95/26/1080549526.db2.gz VOCZGOBXACCWQW-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[NH2+]C[C@](C)(NC(=O)[C@H]1CCCN1C(C)C)C1CC1 ZINC001481930698 1080619837 /nfs/dbraw/zinc/61/98/37/1080619837.db2.gz IKHKRKXMRPXJLW-AEFFLSMTSA-N 1 3 309.498 2.390 20 0 DEADHO CC/C=C\CC[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001662639420 1080625606 /nfs/dbraw/zinc/62/56/06/1080625606.db2.gz BNLZFNARKQPHMI-YIEVGGLXSA-N 1 3 307.482 2.265 20 0 DEADHO CC(C)=CC[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001662861595 1080667287 /nfs/dbraw/zinc/66/72/87/1080667287.db2.gz BSKLXRXTSYSEAD-IAGOWNOFSA-N 1 3 307.482 2.217 20 0 DEADHO CC(C)=CC[N@H+](C)[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001662861595 1080667292 /nfs/dbraw/zinc/66/72/92/1080667292.db2.gz BSKLXRXTSYSEAD-IAGOWNOFSA-N 1 3 307.482 2.217 20 0 DEADHO CN(C)C1(C(=O)NCc2ccc(C[NH2+]CC3CC3)cc2)CCC1 ZINC001482031770 1080712949 /nfs/dbraw/zinc/71/29/49/1080712949.db2.gz ZJXCBQBGCTYWII-UHFFFAOYSA-N 1 3 315.461 2.287 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)CC[NH2+]CCC2=CCCCC2)C1 ZINC001664186067 1080873871 /nfs/dbraw/zinc/87/38/71/1080873871.db2.gz JLZNQOWKSJXCFZ-INIZCTEOSA-N 1 3 307.482 2.267 20 0 DEADHO CC[N@H+](C)CCC(=O)N(C)CCNCc1cc2ccccc2o1 ZINC001664289448 1080889807 /nfs/dbraw/zinc/88/98/07/1080889807.db2.gz CVYRXBNVXKTBGF-UHFFFAOYSA-N 1 3 317.433 2.323 20 0 DEADHO CC[N@@H+](C)CCC(=O)N(C)CCNCc1cc2ccccc2o1 ZINC001664289448 1080889818 /nfs/dbraw/zinc/88/98/18/1080889818.db2.gz CVYRXBNVXKTBGF-UHFFFAOYSA-N 1 3 317.433 2.323 20 0 DEADHO CCCC[NH2+][C@@H](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001664442367 1080909841 /nfs/dbraw/zinc/90/98/41/1080909841.db2.gz LDSPJRJWAUVTQD-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](C[NH2+]CCC1CCCCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001268661969 1080921515 /nfs/dbraw/zinc/92/15/15/1080921515.db2.gz RBHVBJRNHVGMOO-JKSUJKDBSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]C/C=C/Cl ZINC001268706498 1080944464 /nfs/dbraw/zinc/94/44/64/1080944464.db2.gz KCEBHHAEFDVINZ-DWOOFBTHSA-N 1 3 301.862 2.096 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001664740706 1080952571 /nfs/dbraw/zinc/95/25/71/1080952571.db2.gz JKDJYMLIWIDMCT-DLBZAZTESA-N 1 3 307.482 2.123 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001664740706 1080952579 /nfs/dbraw/zinc/95/25/79/1080952579.db2.gz JKDJYMLIWIDMCT-DLBZAZTESA-N 1 3 307.482 2.123 20 0 DEADHO CC1CC(C[NH+]2CCN(C(=O)c3occc3CN(C)C)CC2)C1 ZINC000949904660 1081228186 /nfs/dbraw/zinc/22/81/86/1081228186.db2.gz XMJPFGYJNGCCDR-UHFFFAOYSA-N 1 3 319.449 2.145 20 0 DEADHO CC(C)(C(=O)NC/C=C\CNC/C=C\Cl)[NH+]1CCCCC1 ZINC001668828335 1081402156 /nfs/dbraw/zinc/40/21/56/1081402156.db2.gz PDHFMYVQURKGMG-WPAMCMATSA-N 1 3 313.873 2.265 20 0 DEADHO C[C@@H](C[NH2+]CCc1ccccc1)NC(=O)CN(C)CC(C)(C)C ZINC001669664352 1081462756 /nfs/dbraw/zinc/46/27/56/1081462756.db2.gz IHBZMAVQWPMXBK-INIZCTEOSA-N 1 3 319.493 2.301 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCc1ccccc1)N(C)C ZINC001482355455 1081756046 /nfs/dbraw/zinc/75/60/46/1081756046.db2.gz GOHTUKKFRZQZMR-AEFFLSMTSA-N 1 3 319.493 2.252 20 0 DEADHO CN(CCC[N@H+](C)CC1=CCCCC1)C(=O)Cc1c[nH]cn1 ZINC001673475264 1081773908 /nfs/dbraw/zinc/77/39/08/1081773908.db2.gz WEYOZZOAFCYOIL-UHFFFAOYSA-N 1 3 304.438 2.233 20 0 DEADHO CN(CCC[N@@H+](C)CC1=CCCCC1)C(=O)Cc1c[nH]cn1 ZINC001673475264 1081773915 /nfs/dbraw/zinc/77/39/15/1081773915.db2.gz WEYOZZOAFCYOIL-UHFFFAOYSA-N 1 3 304.438 2.233 20 0 DEADHO CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001671257276 1081972948 /nfs/dbraw/zinc/97/29/48/1081972948.db2.gz QBOQFROPYIIMJR-ADDHZHGLSA-N 1 3 307.482 2.408 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1CC[NH2+]C/C=C/Cl ZINC001271598578 1082088921 /nfs/dbraw/zinc/08/89/21/1082088921.db2.gz AODHFXFRACBTCO-RZIFZGNASA-N 1 3 315.889 2.442 20 0 DEADHO CCCCCC[N@@H+]1CC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001266533883 1082127002 /nfs/dbraw/zinc/12/70/02/1082127002.db2.gz RYJQYEGXBZQTEE-DLBZAZTESA-N 1 3 309.498 2.347 20 0 DEADHO CCCCCC[N@H+]1CC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001266533883 1082127006 /nfs/dbraw/zinc/12/70/06/1082127006.db2.gz RYJQYEGXBZQTEE-DLBZAZTESA-N 1 3 309.498 2.347 20 0 DEADHO CCC[NH2+][C@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001482552201 1082204683 /nfs/dbraw/zinc/20/46/83/1082204683.db2.gz BRTJTQWAUHJNQY-RHSMWYFYSA-N 1 3 315.477 2.339 20 0 DEADHO [NH3+][C@@H](C(=O)Nc1ccc2c(c1)CNCCO2)C1CCCCCC1 ZINC001648987795 1082398326 /nfs/dbraw/zinc/39/83/26/1082398326.db2.gz WGDFGNBCPYMWJK-QGZVFWFLSA-N 1 3 317.433 2.405 20 0 DEADHO CC1CCN(CC(=O)NC/C=C\C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001483077369 1082692935 /nfs/dbraw/zinc/69/29/35/1082692935.db2.gz JHEZYHRJHHYEGH-PLNGDYQASA-N 1 3 321.509 2.417 20 0 DEADHO C[C@H](CNCc1ccccc1Cl)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001483166784 1082786960 /nfs/dbraw/zinc/78/69/60/1082786960.db2.gz OQPAGQFBMWCVDQ-UONOGXRCSA-N 1 3 323.868 2.276 20 0 DEADHO C[C@H](CNCc1ccccc1Cl)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001483166784 1082786962 /nfs/dbraw/zinc/78/69/62/1082786962.db2.gz OQPAGQFBMWCVDQ-UONOGXRCSA-N 1 3 323.868 2.276 20 0 DEADHO CCCC[NH2+]C[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001483167237 1082788183 /nfs/dbraw/zinc/78/81/83/1082788183.db2.gz WTXCEASARQXWOB-CJNGLKHVSA-N 1 3 301.450 2.093 20 0 DEADHO CC(C)CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC001409458089 1082901756 /nfs/dbraw/zinc/90/17/56/1082901756.db2.gz ROMDFAHQRHSDSN-OFLPRAFFSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)(C)[NH2+]CC(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001413138922 1083388908 /nfs/dbraw/zinc/38/89/08/1083388908.db2.gz LQRGXMXALYRHBR-SJORKVTESA-N 1 3 315.461 2.107 20 0 DEADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCF)CC2)N(C)C ZINC001107553104 1083477753 /nfs/dbraw/zinc/47/77/53/1083477753.db2.gz BQIQGFVIQOSKCG-ZMSDIMECSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCF)CC2)N(C)C ZINC001107553104 1083477759 /nfs/dbraw/zinc/47/77/59/1083477759.db2.gz BQIQGFVIQOSKCG-ZMSDIMECSA-N 1 3 313.461 2.047 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C[NH2+]C/C=C\Cl)C1CC1 ZINC001276595092 1083505299 /nfs/dbraw/zinc/50/52/99/1083505299.db2.gz KATDHLSRQJMTMK-JFCGUDLGSA-N 1 3 313.873 2.098 20 0 DEADHO CCCCCCN1CC2(C[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001277224751 1083854689 /nfs/dbraw/zinc/85/46/89/1083854689.db2.gz DOGAPDKRVPWYBQ-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC/C=C\CC[N@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001277448040 1083976107 /nfs/dbraw/zinc/97/61/07/1083976107.db2.gz VUFBSVYXHMVWKE-PLNGDYQASA-N 1 3 307.482 2.361 20 0 DEADHO CC/C=C\CC[N@@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001277448040 1083976114 /nfs/dbraw/zinc/97/61/14/1083976114.db2.gz VUFBSVYXHMVWKE-PLNGDYQASA-N 1 3 307.482 2.361 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)C[C@H]([NH3+])CC(C)C)C2)cc1 ZINC001649045523 1084037124 /nfs/dbraw/zinc/03/71/24/1084037124.db2.gz GUXLCRXWIRWPRA-MSOLQXFVSA-N 1 3 317.477 2.449 20 0 DEADHO CC[C@H](C)C[C@@H](N)C(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001649108468 1084125594 /nfs/dbraw/zinc/12/55/94/1084125594.db2.gz MGPVOEPULOFTDY-DOTOQJQBSA-N 1 3 317.477 2.269 20 0 DEADHO [NH3+]C[C@@]1(O)CCCN(Cc2ccc(OC(F)F)cc2F)CC1 ZINC001205247451 1084132487 /nfs/dbraw/zinc/13/24/87/1084132487.db2.gz HYUOKMAZKBGJJT-OAHLLOKOSA-N 1 3 318.339 2.103 20 0 DEADHO Cc1cccc(N2CCC[C@@]3(CN(CCCC[NH3+])CCO3)C2)c1 ZINC001235535661 1084458732 /nfs/dbraw/zinc/45/87/32/1084458732.db2.gz AZFVUHHKJOGNNT-LJQANCHMSA-N 1 3 317.477 2.405 20 0 DEADHO CC(C)(C)OC(=O)[C@H]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC001235712495 1084510889 /nfs/dbraw/zinc/51/08/89/1084510889.db2.gz AZWBYTVXHDTEGM-INIZCTEOSA-N 1 3 316.445 2.496 20 0 DEADHO CC[C@H]([NH3+])CN1CCN[C@@H](c2cccc(Br)c2)C1 ZINC001235794040 1084530820 /nfs/dbraw/zinc/53/08/20/1084530820.db2.gz IZVORIBWCIOEQR-UONOGXRCSA-N 1 3 312.255 2.133 20 0 DEADHO CCOC(=O)[C@]12C[N@H+](Cc3ccsc3C)C[C@H]1CNCC2 ZINC001236039873 1084597250 /nfs/dbraw/zinc/59/72/50/1084597250.db2.gz DQMUHESVYQRUFX-GDBMZVCRSA-N 1 3 308.447 2.031 20 0 DEADHO CCOC(=O)[C@]12C[N@@H+](Cc3ccsc3C)C[C@H]1CNCC2 ZINC001236039873 1084597259 /nfs/dbraw/zinc/59/72/59/1084597259.db2.gz DQMUHESVYQRUFX-GDBMZVCRSA-N 1 3 308.447 2.031 20 0 DEADHO CCOc1cc(C)ccc1CN1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001236079041 1084606062 /nfs/dbraw/zinc/60/60/62/1084606062.db2.gz OBPKPXZGUHOKNH-QGZVFWFLSA-N 1 3 303.450 2.001 20 0 DEADHO C[NH+](C)CCNC(=O)[C@@H]1CC12CCN(Cc1ccsc1)CC2 ZINC001272936578 1084922949 /nfs/dbraw/zinc/92/29/49/1084922949.db2.gz OALXQKLCCNBRKW-HNNXBMFYSA-N 1 3 321.490 2.028 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCC1)C1CC1 ZINC000960685662 1085412811 /nfs/dbraw/zinc/41/28/11/1085412811.db2.gz UOIJKOZEVLPFHN-QZTJIDSGSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCC1)C1CC1 ZINC000960685662 1085412814 /nfs/dbraw/zinc/41/28/14/1085412814.db2.gz UOIJKOZEVLPFHN-QZTJIDSGSA-N 1 3 321.509 2.440 20 0 DEADHO CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000961339494 1085695077 /nfs/dbraw/zinc/69/50/77/1085695077.db2.gz HMYSIYGENBVSAR-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000961339494 1085695090 /nfs/dbraw/zinc/69/50/90/1085695090.db2.gz HMYSIYGENBVSAR-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000961338551 1085695418 /nfs/dbraw/zinc/69/54/18/1085695418.db2.gz GCAQFESOWONLFA-IAGOWNOFSA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000961338551 1085695425 /nfs/dbraw/zinc/69/54/25/1085695425.db2.gz GCAQFESOWONLFA-IAGOWNOFSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)CC[NH2+]C[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001272968247 1085714932 /nfs/dbraw/zinc/71/49/32/1085714932.db2.gz UBXPTGDRHCFHFF-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC000962268036 1086045017 /nfs/dbraw/zinc/04/50/17/1086045017.db2.gz CQSPVYHEANSTSW-XDNAFOTISA-N 1 3 319.493 2.097 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC000962268036 1086045026 /nfs/dbraw/zinc/04/50/26/1086045026.db2.gz CQSPVYHEANSTSW-XDNAFOTISA-N 1 3 319.493 2.097 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CCCF)C1 ZINC000963367697 1086427968 /nfs/dbraw/zinc/42/79/68/1086427968.db2.gz RTDAXQDZISOEGA-ZBFHGGJFSA-N 1 3 322.428 2.015 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CCCF)C1 ZINC000963367697 1086427969 /nfs/dbraw/zinc/42/79/69/1086427969.db2.gz RTDAXQDZISOEGA-ZBFHGGJFSA-N 1 3 322.428 2.015 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CC1CC1)C2 ZINC000963786078 1086558403 /nfs/dbraw/zinc/55/84/03/1086558403.db2.gz AFRSONNIDFDAGO-APUKJBRXSA-N 1 3 319.493 2.286 20 0 DEADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(CN3CCCC3)c1)C2 ZINC001649132964 1087011565 /nfs/dbraw/zinc/01/15/65/1087011565.db2.gz XEFULPQPFYYCLJ-JQHSSLGASA-N 1 3 313.445 2.234 20 0 DEADHO CC1(C)C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000711285773 1087043055 /nfs/dbraw/zinc/04/30/55/1087043055.db2.gz XMSHGROYCKEGQV-IRXDYDNUSA-N 1 3 315.461 2.013 20 0 DEADHO CCc1ccc(C[NH2+]CCCNC(=O)CN(CC)CC)cc1 ZINC001168764346 1087705216 /nfs/dbraw/zinc/70/52/16/1087705216.db2.gz ZNBUPACCCXBUCS-UHFFFAOYSA-N 1 3 305.466 2.187 20 0 DEADHO CC[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)CC1 ZINC000957598667 1088446878 /nfs/dbraw/zinc/44/68/78/1088446878.db2.gz GGNQCMGBTILNTI-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO O=C(CN1CCCC1)N1CCC2(CC1)CC[NH+](CC1CC1)CC2 ZINC000957644696 1088490848 /nfs/dbraw/zinc/49/08/48/1088490848.db2.gz DTRGTFMQFXUMHA-UHFFFAOYSA-N 1 3 319.493 2.197 20 0 DEADHO CC[N@H+](CC1CC1)CC1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000957720098 1088571694 /nfs/dbraw/zinc/57/16/94/1088571694.db2.gz AHHNGQBEEOPMEG-SFHVURJKSA-N 1 3 321.509 2.297 20 0 DEADHO CC[N@@H+](CC1CC1)CC1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000957720098 1088571710 /nfs/dbraw/zinc/57/17/10/1088571710.db2.gz AHHNGQBEEOPMEG-SFHVURJKSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@@H](F)CN1C[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001080053066 1088585388 /nfs/dbraw/zinc/58/53/88/1088585388.db2.gz VMCBAYKMVOVJJU-XNRPHZJLSA-N 1 3 318.396 2.133 20 0 DEADHO CC[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001080037474 1088593235 /nfs/dbraw/zinc/59/32/35/1088593235.db2.gz LVIKUGWYZKOZCD-ARFHVFGLSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001080037474 1088593248 /nfs/dbraw/zinc/59/32/48/1088593248.db2.gz LVIKUGWYZKOZCD-ARFHVFGLSA-N 1 3 307.482 2.097 20 0 DEADHO CC[N@H+](CC1CC1)CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC000957753249 1088597317 /nfs/dbraw/zinc/59/73/17/1088597317.db2.gz FTHBCQZZMJWCSI-INIZCTEOSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+](CC1CC1)CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC000957753249 1088597338 /nfs/dbraw/zinc/59/73/38/1088597338.db2.gz FTHBCQZZMJWCSI-INIZCTEOSA-N 1 3 321.509 2.441 20 0 DEADHO CCC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)[C@H](CC)N(C)C)[C@@H]2C1 ZINC001114849178 1089151233 /nfs/dbraw/zinc/15/12/33/1089151233.db2.gz LPCSXSPWFDIMSN-BJWWOYSNSA-N 1 3 307.482 2.119 20 0 DEADHO CCC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)[C@H](CC)N(C)C)[C@@H]2C1 ZINC001114849178 1089151243 /nfs/dbraw/zinc/15/12/43/1089151243.db2.gz LPCSXSPWFDIMSN-BJWWOYSNSA-N 1 3 307.482 2.119 20 0 DEADHO CC[NH2+]C[C@H]1c2ccccc2CCN1C(=O)[C@@H](C1CC1)N(C)C ZINC000958791378 1089184492 /nfs/dbraw/zinc/18/44/92/1089184492.db2.gz QPQHMVDTOMVFJH-ZWKOTPCHSA-N 1 3 315.461 2.062 20 0 DEADHO CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1c1ccccc1 ZINC001081134392 1089362111 /nfs/dbraw/zinc/36/21/11/1089362111.db2.gz TWIMDDYVKMTEET-RCCFBDPRSA-N 1 3 317.477 2.321 20 0 DEADHO CN(CC(=O)N1CCCC[C@H]1C[NH2+]CC1CCC1)C1CCC1 ZINC000960021980 1089910038 /nfs/dbraw/zinc/91/00/38/1089910038.db2.gz IKDLZJMKFOJORB-KRWDZBQOSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccsc2)C1)N(C)C ZINC001082575684 1090010228 /nfs/dbraw/zinc/01/02/28/1090010228.db2.gz UBKZRUSFSQPQJJ-BMFZPTHFSA-N 1 3 323.506 2.271 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CC2)C1 ZINC001082943648 1090109783 /nfs/dbraw/zinc/10/97/83/1090109783.db2.gz UWTAMRQCSFUCRC-DJIMGWMZSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC001084406664 1090291586 /nfs/dbraw/zinc/29/15/86/1090291586.db2.gz VZQHXOCNDDCVHL-BPQIPLTHSA-N 1 3 319.493 2.335 20 0 DEADHO CC(C)N1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC001084406664 1090291590 /nfs/dbraw/zinc/29/15/90/1090291590.db2.gz VZQHXOCNDDCVHL-BPQIPLTHSA-N 1 3 319.493 2.335 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001410312823 1090540652 /nfs/dbraw/zinc/54/06/52/1090540652.db2.gz MOOHCURJBQDGHO-HUUCEWRRSA-N 1 3 313.461 2.045 20 0 DEADHO CCCN(C(=O)C1CC[NH+](CC(C)C)CC1)[C@@H]1CCN(C)C1 ZINC001412271496 1091265646 /nfs/dbraw/zinc/26/56/46/1091265646.db2.gz YFUZNRGLNJACRD-QGZVFWFLSA-N 1 3 309.498 2.297 20 0 DEADHO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2Cc1cc(Cl)ccc1N ZINC001276111536 1091556192 /nfs/dbraw/zinc/55/61/92/1091556192.db2.gz ZTBWLSRSWYBSFT-IRXDYDNUSA-N 1 3 322.884 2.132 20 0 DEADHO Cc1c[nH]c(CN2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)c1C ZINC001276140130 1091592476 /nfs/dbraw/zinc/59/24/76/1091592476.db2.gz PCHMBEUUXYQIMY-UHFFFAOYSA-N 1 3 318.509 2.481 20 0 DEADHO Cc1c[nH]c(CN2CCC3(CC[N@H+](CCN(C)C)C3)CC2)c1C ZINC001276140130 1091592482 /nfs/dbraw/zinc/59/24/82/1091592482.db2.gz PCHMBEUUXYQIMY-UHFFFAOYSA-N 1 3 318.509 2.481 20 0 DEADHO Cc1cc(CN2CCCC3(CN(CC[NH+](C)C)C3)C2)oc1C ZINC001276174859 1091642223 /nfs/dbraw/zinc/64/22/23/1091642223.db2.gz DGJLKGUMGHCTPL-UHFFFAOYSA-N 1 3 305.466 2.356 20 0 DEADHO CCCC[N@@H+]1CCC[C@H](N(C)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000948765933 1091923996 /nfs/dbraw/zinc/92/39/96/1091923996.db2.gz DVACRBKEIWOEPI-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@H+]1CCC[C@H](N(C)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000948765933 1091924003 /nfs/dbraw/zinc/92/40/03/1091924003.db2.gz DVACRBKEIWOEPI-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO CCN(CC[NH2+]CC1=CCCCC1)C(=O)CN1CC[C@@H](C)C1 ZINC001273609648 1091952791 /nfs/dbraw/zinc/95/27/91/1091952791.db2.gz AZNTVNOEAYOGHG-MRXNPFEDSA-N 1 3 307.482 2.267 20 0 DEADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCN(CC2CCCC2)CC1 ZINC000948854376 1091968234 /nfs/dbraw/zinc/96/82/34/1091968234.db2.gz MEFNUALUYYLLGG-KRWDZBQOSA-N 1 3 307.482 2.195 20 0 DEADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CCN(CC2CCCC2)CC1 ZINC000948854376 1091968245 /nfs/dbraw/zinc/96/82/45/1091968245.db2.gz MEFNUALUYYLLGG-KRWDZBQOSA-N 1 3 307.482 2.195 20 0 DEADHO CCCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cc1nc[nH]c1C ZINC001275819132 1092175801 /nfs/dbraw/zinc/17/58/01/1092175801.db2.gz ZXSDPCRXBOINAU-GJZGRUSLSA-N 1 3 306.454 2.325 20 0 DEADHO CN(C)CC[N@@H+]1CCC[C@@]2(CCCN(Cc3cccnc3)C2)C1 ZINC001275886018 1092269909 /nfs/dbraw/zinc/26/99/09/1092269909.db2.gz RUXJBWCGYOKGHO-LJQANCHMSA-N 1 3 316.493 2.321 20 0 DEADHO CN(C)CC[N@H+]1CCC[C@@]2(CCCN(Cc3cccnc3)C2)C1 ZINC001275886018 1092269922 /nfs/dbraw/zinc/26/99/22/1092269922.db2.gz RUXJBWCGYOKGHO-LJQANCHMSA-N 1 3 316.493 2.321 20 0 DEADHO C[C@H]([NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C)c1cccc(F)c1 ZINC001275914701 1092299868 /nfs/dbraw/zinc/29/98/68/1092299868.db2.gz AOQGHSJTZDDWCA-YOEHRIQHSA-N 1 3 321.440 2.419 20 0 DEADHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCC1=CCCCC1 ZINC001273911502 1092500234 /nfs/dbraw/zinc/50/02/34/1092500234.db2.gz UDJOFMJWDWBDHS-FUTAKVPZSA-N 1 3 305.466 2.233 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001488828761 1092789308 /nfs/dbraw/zinc/78/93/08/1092789308.db2.gz NSRVNAQXYAHJFH-KLHDSHLOSA-N 1 3 313.461 2.092 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CC[C@@H]([NH2+]CCF)C1)N1CCCCC1 ZINC001488911611 1092814273 /nfs/dbraw/zinc/81/42/73/1092814273.db2.gz FCGAWJDTEALHDW-LSDHHAIUSA-N 1 3 313.461 2.095 20 0 DEADHO CC[C@@H](F)CN(C)CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001490256554 1093265923 /nfs/dbraw/zinc/26/59/23/1093265923.db2.gz PCOROUKBGNFYOZ-HZPDHXFCSA-N 1 3 315.477 2.437 20 0 DEADHO CC/C=C\CCCN1CC[C@H]2C[C@]21C(=O)NC1CC[NH+](C)CC1 ZINC001278053635 1138504124 /nfs/dbraw/zinc/50/41/24/1138504124.db2.gz AEZXJMYWWZEBOP-ASEMBFHNSA-N 1 3 319.493 2.408 20 0 DEADHO CC[C@H](N)C[NH+]1CCC(Cc2ccc(C(=O)OC)cc2)CC1 ZINC001237205883 1138533151 /nfs/dbraw/zinc/53/31/51/1138533151.db2.gz YWZXDHTZMHMXKN-KRWDZBQOSA-N 1 3 304.434 2.465 20 0 DEADHO CCOC(=O)[C@@H]1CN(Cc2ccc(F)c(C)c2)CCC12C[NH2+]C2 ZINC001237432592 1138622105 /nfs/dbraw/zinc/62/21/05/1138622105.db2.gz ZHYNSBCPWICPGH-HNNXBMFYSA-N 1 3 320.408 2.109 20 0 DEADHO CCOC(=O)Cc1ccc(CN2CC3(C2)CC[NH+](C)CC3)cc1 ZINC001237486507 1138654370 /nfs/dbraw/zinc/65/43/70/1138654370.db2.gz YBJADCKAQIOOAV-UHFFFAOYSA-N 1 3 316.445 2.320 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCC34CC4)CC2)CC1 ZINC001278166299 1138811995 /nfs/dbraw/zinc/81/19/95/1138811995.db2.gz DAGZRBHKIWBPNH-UHFFFAOYSA-N 1 3 319.493 2.338 20 0 DEADHO CN1CCN(Cc2cccc(-c3cnc4c(c3)C[NH2+]CC4)c2)CC1 ZINC001240298040 1139323908 /nfs/dbraw/zinc/32/39/08/1139323908.db2.gz GTOSFFDBXAMSEW-UHFFFAOYSA-N 1 3 322.456 2.142 20 0 DEADHO COCCN(C)Cc1ccnc(-c2ccc3c(c2)CC[NH2+]C3)c1 ZINC001240453758 1139371951 /nfs/dbraw/zinc/37/19/51/1139371951.db2.gz HYKBKAKDESLYGA-UHFFFAOYSA-N 1 3 311.429 2.473 20 0 DEADHO CC[C@H](C(=O)N1CCC(CC[NH2+]CC[C@@H](C)F)CC1)N(C)C ZINC001318896327 1140457000 /nfs/dbraw/zinc/45/70/00/1140457000.db2.gz UISNRXJQOJMKHO-GDBMZVCRSA-N 1 3 315.477 2.293 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCC(F)(F)F ZINC001319193767 1140522973 /nfs/dbraw/zinc/52/29/73/1140522973.db2.gz FVVUKUMCWNLMLV-STQMWFEESA-N 1 3 323.403 2.155 20 0 DEADHO CCCC[C@H](CC)COC[C@H](O)CNC[C@H]1CCC[NH2+]C1 ZINC001245979964 1140840668 /nfs/dbraw/zinc/84/06/68/1140840668.db2.gz DBBNRTSEHXJXSF-YESZJQIVSA-N 1 3 300.487 2.170 20 0 DEADHO O[C@]1(CN2CCC(Cc3ccc(F)cc3)CC2)CCC[NH2+]C1 ZINC001246056214 1140855175 /nfs/dbraw/zinc/85/51/75/1140855175.db2.gz OLQXNESIYYLFIW-GOSISDBHSA-N 1 3 306.425 2.195 20 0 DEADHO O[C@@]1(C[NH2+]C2CCC(c3ccccc3)CC2)CCNC[C@@H]1F ZINC001246079790 1140857996 /nfs/dbraw/zinc/85/79/96/1140857996.db2.gz FFMOMWOMDBYFTD-ZGUYJTEBSA-N 1 3 306.425 2.365 20 0 DEADHO F[C@H]1CNCC[C@@H]1N[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001246091336 1140860296 /nfs/dbraw/zinc/86/02/96/1140860296.db2.gz JMWXWKAAMUAEPZ-SQNIBIBYSA-N 1 3 305.441 2.331 20 0 DEADHO F[C@H]1CNCC[C@@H]1N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246091336 1140860297 /nfs/dbraw/zinc/86/02/97/1140860297.db2.gz JMWXWKAAMUAEPZ-SQNIBIBYSA-N 1 3 305.441 2.331 20 0 DEADHO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)NC1 ZINC001246107640 1140861885 /nfs/dbraw/zinc/86/18/85/1140861885.db2.gz SRQOOOKPVZZYBO-NXHRZFHOSA-N 1 3 315.461 2.269 20 0 DEADHO O=C(OC1CCC([NH2+][C@H]2CNCC23CC3)CC1)c1ccccc1 ZINC001246136733 1140865029 /nfs/dbraw/zinc/86/50/29/1140865029.db2.gz XSHKGDOVGWKMSB-JCYILVPMSA-N 1 3 314.429 2.496 20 0 DEADHO C[C@H](CSc1ccc(F)cc1)N[C@@H]1[C@H]2C[NH2+]C[C@@H]1COC2 ZINC001246145815 1140866010 /nfs/dbraw/zinc/86/60/10/1140866010.db2.gz FDLVYICLWQNESP-FOCJUVANSA-N 1 3 310.438 2.130 20 0 DEADHO Fc1cccc(F)c1CN1CCC(N[C@H]2CCC[NH2+]C2)CC1 ZINC001246353760 1140887398 /nfs/dbraw/zinc/88/73/98/1140887398.db2.gz DXGCZSXQIWMMPG-AWEZNQCLSA-N 1 3 309.404 2.271 20 0 DEADHO Fc1ccc(F)c(CN2CCC(N[C@H]3CCC[NH2+]C3)CC2)c1 ZINC001246355006 1140887433 /nfs/dbraw/zinc/88/74/33/1140887433.db2.gz KZSQIWSZTDOUPP-INIZCTEOSA-N 1 3 309.404 2.271 20 0 DEADHO C[C@H]1CC[C@@H](NCC2CCN(C(=O)c3ccccc3)CC2)C[NH2+]1 ZINC001246369933 1140889424 /nfs/dbraw/zinc/88/94/24/1140889424.db2.gz WCTFTTPTJDAYSE-MAUKXSAKSA-N 1 3 315.461 2.269 20 0 DEADHO O=C(c1ccccc1F)N1CCC(C[NH2+]C2CCNCC2)CC1 ZINC001246370136 1140889460 /nfs/dbraw/zinc/88/94/60/1140889460.db2.gz XLXOCZSMLHRDNE-UHFFFAOYSA-N 1 3 319.424 2.020 20 0 DEADHO COc1cccc(CC2(C[NH2+]C3CCNCC3)CCOCC2)c1 ZINC001246368895 1140889478 /nfs/dbraw/zinc/88/94/78/1140889478.db2.gz PHSSRMCVIIUDGW-UHFFFAOYSA-N 1 3 318.461 2.376 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(CC(=O)c3cccs3)CC2)CCN1 ZINC001246372281 1140889813 /nfs/dbraw/zinc/88/98/13/1140889813.db2.gz ZUUVBDGEFFEBHO-HIFRSBDPSA-N 1 3 321.490 2.125 20 0 DEADHO CC1(C)CC([N@@H+]2CCC(F)(F)[C@@H](CN)C2)CC(C)(C)N1O ZINC001246559121 1140964424 /nfs/dbraw/zinc/96/44/24/1140964424.db2.gz ROVZFSKOECUMBZ-NSHDSACASA-N 1 3 305.413 2.313 20 0 DEADHO CC1(C)CC([N@H+]2CCC(F)(F)[C@@H](CN)C2)CC(C)(C)N1O ZINC001246559121 1140964440 /nfs/dbraw/zinc/96/44/40/1140964440.db2.gz ROVZFSKOECUMBZ-NSHDSACASA-N 1 3 305.413 2.313 20 0 DEADHO CCOC(=O)[C@@]12C[N@@H+]([C@@H]3CC[C@@H](CC)C3)C[C@@H]1CNCCC2 ZINC001246609889 1141003831 /nfs/dbraw/zinc/00/38/31/1141003831.db2.gz PLXLNMNIECJJRB-HPFXQQBRSA-N 1 3 308.466 2.430 20 0 DEADHO CCOC(=O)[C@@]12C[N@H+]([C@@H]3CC[C@@H](CC)C3)C[C@@H]1CNCCC2 ZINC001246609889 1141003839 /nfs/dbraw/zinc/00/38/39/1141003839.db2.gz PLXLNMNIECJJRB-HPFXQQBRSA-N 1 3 308.466 2.430 20 0 DEADHO C[NH2+]CC[C@@H](C)N1CC[C@]2(CC(=O)N(c3cccc(C)c3)C2)C1 ZINC001246743743 1141048141 /nfs/dbraw/zinc/04/81/41/1141048141.db2.gz HWOVGRPUIXDMEW-APWZRJJASA-N 1 3 315.461 2.422 20 0 DEADHO C[C@H]1C[C@H]([N@@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)CCN1 ZINC001246753878 1141051608 /nfs/dbraw/zinc/05/16/08/1141051608.db2.gz DKHLAKNWCWJRIB-JCHJZTRSSA-N 1 3 322.493 2.282 20 0 DEADHO C[C@H]1C[C@H]([N@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)CCN1 ZINC001246753878 1141051618 /nfs/dbraw/zinc/05/16/18/1141051618.db2.gz DKHLAKNWCWJRIB-JCHJZTRSSA-N 1 3 322.493 2.282 20 0 DEADHO Cc1ccc(SC[C@@H](C)N2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1 ZINC001246859420 1141091706 /nfs/dbraw/zinc/09/17/06/1141091706.db2.gz KTGBBMVPIKCRRR-TUCDSHDJSA-N 1 3 306.475 2.381 20 0 DEADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCOC(=O)N(C)C ZINC001321394808 1141225199 /nfs/dbraw/zinc/22/51/99/1141225199.db2.gz QMZIELQWXJVKOS-NVXWUHKLSA-N 1 3 319.449 2.185 20 0 DEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCOC(=O)N(C)C ZINC001321394808 1141225225 /nfs/dbraw/zinc/22/52/25/1141225225.db2.gz QMZIELQWXJVKOS-NVXWUHKLSA-N 1 3 319.449 2.185 20 0 DEADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCOC(=O)N(C)C ZINC001321394807 1141226257 /nfs/dbraw/zinc/22/62/57/1141226257.db2.gz QMZIELQWXJVKOS-DOTOQJQBSA-N 1 3 319.449 2.185 20 0 DEADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCOC(=O)N(C)C ZINC001321394807 1141226269 /nfs/dbraw/zinc/22/62/69/1141226269.db2.gz QMZIELQWXJVKOS-DOTOQJQBSA-N 1 3 319.449 2.185 20 0 DEADHO C[NH+](C)Cc1cccc(C(=O)NC/C=C\CNC/C=C/Cl)c1 ZINC001321418225 1141242127 /nfs/dbraw/zinc/24/21/27/1141242127.db2.gz XZUBIJWGCHIVIZ-ZNUQQGBJSA-N 1 3 321.852 2.376 20 0 DEADHO [NH3+]C[C@H]1CC[C@@H](c2nc(-c3ccc4c(n3)CCNC4)no2)CC1 ZINC001249162977 1141856274 /nfs/dbraw/zinc/85/62/74/1141856274.db2.gz XPSZOUFKCAJPGL-TXEJJXNPSA-N 1 3 313.405 2.010 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001323872777 1141895231 /nfs/dbraw/zinc/89/52/31/1141895231.db2.gz OVPKURVSRQOEKW-SFHVURJKSA-N 1 3 307.482 2.217 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001323872777 1141895232 /nfs/dbraw/zinc/89/52/32/1141895232.db2.gz OVPKURVSRQOEKW-SFHVURJKSA-N 1 3 307.482 2.217 20 0 DEADHO C[C@H]1CN(CCCC[NH2+]C[C@H](O)c2ccccc2)C[C@H](C)O1 ZINC001336738646 1142553435 /nfs/dbraw/zinc/55/34/35/1142553435.db2.gz ABMNVDQJYSZURN-BQFCYCMXSA-N 1 3 306.450 2.199 20 0 DEADHO CN1CCC[C@H]1CC[NH2+]C[C@H](O)CCOCc1ccccc1 ZINC001253289176 1142861590 /nfs/dbraw/zinc/86/15/90/1142861590.db2.gz KSKPRBBHYAHHRK-ZWKOTPCHSA-N 1 3 306.450 2.028 20 0 DEADHO C[N@@H+]1CCC[C@H]1CCNC[C@H](O)CCOCc1ccccc1 ZINC001253289176 1142861591 /nfs/dbraw/zinc/86/15/91/1142861591.db2.gz KSKPRBBHYAHHRK-ZWKOTPCHSA-N 1 3 306.450 2.028 20 0 DEADHO C[N@H+]1CCC[C@H]1CCNC[C@H](O)CCOCc1ccccc1 ZINC001253289176 1142861592 /nfs/dbraw/zinc/86/15/92/1142861592.db2.gz KSKPRBBHYAHHRK-ZWKOTPCHSA-N 1 3 306.450 2.028 20 0 DEADHO CC(C)(C)[NH2+]C[C@@H](O)CN1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1 ZINC001253390649 1142867855 /nfs/dbraw/zinc/86/78/55/1142867855.db2.gz RGCODYFKYQBHKO-ZJPYXAASSA-N 1 3 324.509 2.263 20 0 DEADHO CC(C)(C)NC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1 ZINC001253390649 1142867856 /nfs/dbraw/zinc/86/78/56/1142867856.db2.gz RGCODYFKYQBHKO-ZJPYXAASSA-N 1 3 324.509 2.263 20 0 DEADHO CC(C)(C)NC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1 ZINC001253390649 1142867857 /nfs/dbraw/zinc/86/78/57/1142867857.db2.gz RGCODYFKYQBHKO-ZJPYXAASSA-N 1 3 324.509 2.263 20 0 DEADHO OC1(C[NH2+]C2CC(F)(F)C2)CCN(Cc2ccccc2)CC1 ZINC001254030036 1143029113 /nfs/dbraw/zinc/02/91/13/1143029113.db2.gz UHWKYDOWMPQUQU-UHFFFAOYSA-N 1 3 310.388 2.401 20 0 DEADHO COC(=O)c1cccc(C[NH2+]CCCN2CCCO[C@@H](C)C2)c1 ZINC001339698205 1143083208 /nfs/dbraw/zinc/08/32/08/1143083208.db2.gz QMXSRHBDTGGBPS-HNNXBMFYSA-N 1 3 320.433 2.064 20 0 DEADHO CC(C)c1nnc2ccc(C[NH2+][C@H]3CCCN(C)CC3)cn21 ZINC001254507681 1143151472 /nfs/dbraw/zinc/15/14/72/1143151472.db2.gz FINZRADLOMGWJG-HNNXBMFYSA-N 1 3 301.438 2.427 20 0 DEADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC[C@H]1CCCN1C)C2 ZINC001255183094 1143473193 /nfs/dbraw/zinc/47/31/93/1143473193.db2.gz JMHVMYFVLKNHOO-FPCVCCKLSA-N 1 3 309.454 2.212 20 0 DEADHO CN1CC[C@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001255419633 1143610449 /nfs/dbraw/zinc/61/04/49/1143610449.db2.gz AYSCMUOOCXLWDO-KRWDZBQOSA-N 1 3 305.441 2.331 20 0 DEADHO CN(CCNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)OC(C)(C)C ZINC001255662869 1143800180 /nfs/dbraw/zinc/80/01/80/1143800180.db2.gz UNLMJRBKRKHBDM-GOOCMWNKSA-N 1 3 311.470 2.458 20 0 DEADHO CN(CCNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)OC(C)(C)C ZINC001255662869 1143800184 /nfs/dbraw/zinc/80/01/84/1143800184.db2.gz UNLMJRBKRKHBDM-GOOCMWNKSA-N 1 3 311.470 2.458 20 0 DEADHO CCNC(=O)OC1CCN(C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001255682891 1143802127 /nfs/dbraw/zinc/80/21/27/1143802127.db2.gz MSJJCUKDGSWXDF-YIONKMFJSA-N 1 3 309.454 2.212 20 0 DEADHO CCNC(=O)OC1CCN(C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255682891 1143802131 /nfs/dbraw/zinc/80/21/31/1143802131.db2.gz MSJJCUKDGSWXDF-YIONKMFJSA-N 1 3 309.454 2.212 20 0 DEADHO CC[NH+](CC)CC[C@@H](C)N[C@H]1CCCN(c2cnccn2)C1 ZINC001255951320 1143816341 /nfs/dbraw/zinc/81/63/41/1143816341.db2.gz IFAVPTSOERQGBV-CVEARBPZSA-N 1 3 305.470 2.155 20 0 DEADHO C[NH+](C)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 ZINC001256591612 1143856096 /nfs/dbraw/zinc/85/60/96/1143856096.db2.gz WJNQZBNBJAULAS-GOSISDBHSA-N 1 3 302.466 2.072 20 0 DEADHO [NH3+]CCc1cccc(NC2CCC(N3CCOCC3)CC2)c1 ZINC001256681159 1143861854 /nfs/dbraw/zinc/86/18/54/1143861854.db2.gz MHJBORIBVXYEKL-UHFFFAOYSA-N 1 3 303.450 2.243 20 0 DEADHO C(C1CCC1)N1CC[C@H]([NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001256680707 1143861888 /nfs/dbraw/zinc/86/18/88/1143861888.db2.gz BBQVJLSMJIFDBT-XBMUEBEBSA-N 1 3 321.509 2.094 20 0 DEADHO CC(C)C(=O)N1CC[C@H](N[C@@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256904803 1143874236 /nfs/dbraw/zinc/87/42/36/1143874236.db2.gz KGXZHWRDXIRZLW-CVEARBPZSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)C(=O)N1CC[C@H](N[C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256904803 1143874237 /nfs/dbraw/zinc/87/42/37/1143874237.db2.gz KGXZHWRDXIRZLW-CVEARBPZSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[NH+]1CCC(NCCC(=O)N2CCc3ccccc32)CC1 ZINC001257207799 1143892952 /nfs/dbraw/zinc/89/29/52/1143892952.db2.gz KOJAHJZNPRNVKR-UHFFFAOYSA-N 1 3 315.461 2.428 20 0 DEADHO CCN(CC)C(=O)[C@@H]1CCCN(C2CC[NH+](C(C)C)CC2)C1 ZINC001257212870 1143893061 /nfs/dbraw/zinc/89/30/61/1143893061.db2.gz BGDWIEMNEGZAHP-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CN(CC(=O)N[C@@H](C[NH2+]CCF)C(C)(C)C)CC(C)(C)C ZINC001279003364 1143895457 /nfs/dbraw/zinc/89/54/57/1143895457.db2.gz XKZAWSCCUWDESK-ZDUSSCGKSA-N 1 3 303.466 2.054 20 0 DEADHO CC(C)CN1CCC([NH+]2CCC(NC(=O)C(C)C)CC2)CC1 ZINC001258014247 1143966103 /nfs/dbraw/zinc/96/61/03/1143966103.db2.gz GWQCTNARXNGSRE-UHFFFAOYSA-N 1 3 309.498 2.343 20 0 DEADHO c1ccc(CC[NH+]2CCC(NCCc3ncccn3)CC2)cc1 ZINC001258135911 1143976712 /nfs/dbraw/zinc/97/67/12/1143976712.db2.gz UZJFNMCPIZGTNW-UHFFFAOYSA-N 1 3 310.445 2.316 20 0 DEADHO C[C@H](CN)C[N@H+](C)[C@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258577592 1144020928 /nfs/dbraw/zinc/02/09/28/1144020928.db2.gz DLBYGNLZEWYYBG-WBVHZDCISA-N 1 3 303.450 2.094 20 0 DEADHO C[C@H](CN)C[N@@H+](C)[C@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258577592 1144020931 /nfs/dbraw/zinc/02/09/31/1144020931.db2.gz DLBYGNLZEWYYBG-WBVHZDCISA-N 1 3 303.450 2.094 20 0 DEADHO CC[C@H](CNC(=O)CCCC[NH2+]C)N1CCc2ccccc2C1 ZINC001263095370 1144355096 /nfs/dbraw/zinc/35/50/96/1144355096.db2.gz KIUWTQOBNIPEBS-GOSISDBHSA-N 1 3 317.477 2.329 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001264403261 1144530287 /nfs/dbraw/zinc/53/02/87/1144530287.db2.gz JNDUQGRVJSDYRB-NXHRZFHOSA-N 1 3 319.493 2.313 20 0 DEADHO CN1CCC[C@H]1C(=O)NCCC[N@H+](C)C/C=C/c1ccccc1 ZINC001264970544 1144614324 /nfs/dbraw/zinc/61/43/24/1144614324.db2.gz ZXFOTFNZKNBVSV-QKIXSCASSA-N 1 3 315.461 2.232 20 0 DEADHO CN1CCC[C@H]1C(=O)NCCC[N@@H+](C)C/C=C/c1ccccc1 ZINC001264970544 1144614325 /nfs/dbraw/zinc/61/43/25/1144614325.db2.gz ZXFOTFNZKNBVSV-QKIXSCASSA-N 1 3 315.461 2.232 20 0 DEADHO C[C@@H]1CCC[NH2+][C@@H]1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000391773998 1144663925 /nfs/dbraw/zinc/66/39/25/1144663925.db2.gz AQCNYDZXWSNERC-NXHRZFHOSA-N 1 3 315.461 2.328 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCCC2CCC2)C1)N(C)C ZINC001265941804 1144764247 /nfs/dbraw/zinc/76/42/47/1144764247.db2.gz LICKTDSZIBRZNL-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CN1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1C/C=C\Cl ZINC001266204541 1144813972 /nfs/dbraw/zinc/81/39/72/1144813972.db2.gz WQYXNZGIWDFBOF-HBXAWUERSA-N 1 3 313.873 2.194 20 0 DEADHO CN1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[N@H+]1C/C=C\Cl ZINC001266204541 1144813973 /nfs/dbraw/zinc/81/39/73/1144813973.db2.gz WQYXNZGIWDFBOF-HBXAWUERSA-N 1 3 313.873 2.194 20 0 DEADHO CC(C)(C)CC[NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001280207145 1144833593 /nfs/dbraw/zinc/83/35/93/1144833593.db2.gz GLUGCZMYELFBKT-CQSZACIVSA-N 1 3 306.454 2.217 20 0 DEADHO CN1C[C@@H]2CC[C@@H]([NH2+]C3CCN(c4nccs4)CC3)[C@H]2C1 ZINC001364930684 1145689178 /nfs/dbraw/zinc/68/91/78/1145689178.db2.gz IZVQSEOWGVCLCW-AEGPPILISA-N 1 3 306.479 2.042 20 0 DEADHO O=C(NC1CC1)c1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC001365355517 1145856486 /nfs/dbraw/zinc/85/64/86/1145856486.db2.gz SCZQWNFQJAJYBQ-HNNXBMFYSA-N 1 3 313.445 2.153 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H](C)CC)C1 ZINC001365808792 1146016212 /nfs/dbraw/zinc/01/62/12/1146016212.db2.gz NNJXWKQIAGWOOJ-MWDXBVQZSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCc1ccc(CC[NH2+]C(C)C)cc1 ZINC001491902720 1146969983 /nfs/dbraw/zinc/96/99/83/1146969983.db2.gz YWNOXFMOVNOZJI-UHFFFAOYSA-N 1 3 314.433 2.118 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C)c(F)c2)C1)N(C)C ZINC001366174400 1147093012 /nfs/dbraw/zinc/09/30/12/1147093012.db2.gz XTAYZZYGHDKDHU-HLLBOEOZSA-N 1 3 321.440 2.211 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)CC1=CCCCC1 ZINC001492267842 1147193871 /nfs/dbraw/zinc/19/38/71/1147193871.db2.gz KYVCXPMTCVTTLJ-KRWDZBQOSA-N 1 3 307.482 2.409 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(C)CC1=CCCCC1 ZINC001492267842 1147193874 /nfs/dbraw/zinc/19/38/74/1147193874.db2.gz KYVCXPMTCVTTLJ-KRWDZBQOSA-N 1 3 307.482 2.409 20 0 DEADHO CCc1ccccc1C[NH2+][C@H](C)CNC(=O)[C@@H](CC)N(C)C ZINC001366293658 1147196254 /nfs/dbraw/zinc/19/62/54/1147196254.db2.gz JXPVUJVMKRSYCQ-RHSMWYFYSA-N 1 3 305.466 2.184 20 0 DEADHO CC[C@H](C(=O)NCCC[N@H+](C)[C@H]1CCc2ccccc21)N(C)C ZINC001316834144 1147337666 /nfs/dbraw/zinc/33/76/66/1147337666.db2.gz HLNYNWSXGSFKPO-MSOLQXFVSA-N 1 3 317.477 2.452 20 0 DEADHO CC[C@H](C(=O)NCCC[N@@H+](C)[C@H]1CCc2ccccc21)N(C)C ZINC001316834144 1147337672 /nfs/dbraw/zinc/33/76/72/1147337672.db2.gz HLNYNWSXGSFKPO-MSOLQXFVSA-N 1 3 317.477 2.452 20 0 DEADHO CCc1ccccc1C[N@@H+](C)CCNC(=O)[C@@H](CC)N(C)C ZINC001366540155 1147339416 /nfs/dbraw/zinc/33/94/16/1147339416.db2.gz ITDYIQNFDWXTCM-QGZVFWFLSA-N 1 3 305.466 2.137 20 0 DEADHO CCc1ccccc1C[N@H+](C)CCNC(=O)[C@@H](CC)N(C)C ZINC001366540155 1147339420 /nfs/dbraw/zinc/33/94/20/1147339420.db2.gz ITDYIQNFDWXTCM-QGZVFWFLSA-N 1 3 305.466 2.137 20 0 DEADHO CCCc1ccc(CN(C)CCNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001366593329 1147378658 /nfs/dbraw/zinc/37/86/58/1147378658.db2.gz RAHVZDHGKIJYFE-SFHVURJKSA-N 1 3 317.477 2.139 20 0 DEADHO CCCc1ccc(CN(C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001366593329 1147378664 /nfs/dbraw/zinc/37/86/64/1147378664.db2.gz RAHVZDHGKIJYFE-SFHVURJKSA-N 1 3 317.477 2.139 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+](CC2CCCC2)C1)N(C)C ZINC001366686862 1147483337 /nfs/dbraw/zinc/48/33/37/1147483337.db2.gz CROFOWQNXXZNRG-IAGOWNOFSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+](CC2CCCC2)C1)N(C)C ZINC001366686862 1147483341 /nfs/dbraw/zinc/48/33/41/1147483341.db2.gz CROFOWQNXXZNRG-IAGOWNOFSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001367011753 1147632752 /nfs/dbraw/zinc/63/27/52/1147632752.db2.gz CTOZQJUCXDNHFN-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001367011753 1147632754 /nfs/dbraw/zinc/63/27/54/1147632754.db2.gz CTOZQJUCXDNHFN-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1 ZINC001367264817 1147671282 /nfs/dbraw/zinc/67/12/82/1147671282.db2.gz WEXLOCWEWXNMML-WMZOPIPTSA-N 1 3 317.477 2.403 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+]Cc2ccns2)CCCC1 ZINC001367331987 1147679247 /nfs/dbraw/zinc/67/92/47/1147679247.db2.gz SNWGCSBWLVSDKG-UHFFFAOYSA-N 1 3 324.494 2.002 20 0 DEADHO CC(C)[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]C/C=C/Cl ZINC001367493584 1147701798 /nfs/dbraw/zinc/70/17/98/1147701798.db2.gz YBLICJWRAVSLAK-NPQIQWPPSA-N 1 3 315.889 2.344 20 0 DEADHO CCCCC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001317526590 1147720219 /nfs/dbraw/zinc/72/02/19/1147720219.db2.gz HHXZTWZSADSPIA-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CCCCC[N@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001317526590 1147720220 /nfs/dbraw/zinc/72/02/20/1147720220.db2.gz HHXZTWZSADSPIA-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CC/C=C\CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001317842070 1147756829 /nfs/dbraw/zinc/75/68/29/1147756829.db2.gz KXQNZAXTGNSMTK-LZDOZHLXSA-N 1 3 309.498 2.463 20 0 DEADHO CC/C=C\CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001317842070 1147756831 /nfs/dbraw/zinc/75/68/31/1147756831.db2.gz KXQNZAXTGNSMTK-LZDOZHLXSA-N 1 3 309.498 2.463 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCc1cccs1)N(C)C ZINC001367855973 1147762153 /nfs/dbraw/zinc/76/21/53/1147762153.db2.gz ZWLALXDHQAJWLK-DZGCQCFKSA-N 1 3 311.495 2.067 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCc1cccs1)N(C)C ZINC001367855973 1147762154 /nfs/dbraw/zinc/76/21/54/1147762154.db2.gz ZWLALXDHQAJWLK-DZGCQCFKSA-N 1 3 311.495 2.067 20 0 DEADHO CCc1cccc(CN(C)C[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001367860759 1147762566 /nfs/dbraw/zinc/76/25/66/1147762566.db2.gz XNUXGNPHZFHMCM-MAUKXSAKSA-N 1 3 317.477 2.137 20 0 DEADHO CCc1cccc(CN(C)C[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001367860759 1147762568 /nfs/dbraw/zinc/76/25/68/1147762568.db2.gz XNUXGNPHZFHMCM-MAUKXSAKSA-N 1 3 317.477 2.137 20 0 DEADHO CC(C)CC[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001325523937 1147934796 /nfs/dbraw/zinc/93/47/96/1147934796.db2.gz BTVBQHSZVMFTPM-CVEARBPZSA-N 1 3 309.498 2.201 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CCCC2)C1 ZINC001326223823 1148060371 /nfs/dbraw/zinc/06/03/71/1148060371.db2.gz JTILKWVVBNFKJG-IAGOWNOFSA-N 1 3 307.482 2.099 20 0 DEADHO N[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)C1CCC1 ZINC000423314239 230483501 /nfs/dbraw/zinc/48/35/01/230483501.db2.gz VRGWQGHVJGQXNX-QGZVFWFLSA-N 1 3 301.434 2.026 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000423728344 230540771 /nfs/dbraw/zinc/54/07/71/230540771.db2.gz LSCDLUOPLBEJQT-DLBZAZTESA-N 1 3 303.450 2.272 20 0 DEADHO [NH3+][C@@H](CCC(=O)N[C@H]1CNCCC1(F)F)CC1CCCCC1 ZINC000424192875 230605391 /nfs/dbraw/zinc/60/53/91/230605391.db2.gz PYPRATXYQBQZLS-KBPBESRZSA-N 1 3 317.424 2.178 20 0 DEADHO CC[NH+](CC)CCCNC(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000079115031 185159405 /nfs/dbraw/zinc/15/94/05/185159405.db2.gz AAQWLTGSDHSAJB-JKSUJKDBSA-N 1 3 312.502 2.138 20 0 DEADHO CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000278233399 214038849 /nfs/dbraw/zinc/03/88/49/214038849.db2.gz KLNCWIJMSQVDAL-OWLYRPNTSA-N 1 3 315.461 2.296 20 0 DEADHO Cc1ncc2c(n1)CC[C@@H](NC1CC[NH+](C(C)(C)C)CC1)C2 ZINC000371983990 282170677 /nfs/dbraw/zinc/17/06/77/282170677.db2.gz LJKIKGPLZQHYOD-MRXNPFEDSA-N 1 3 302.466 2.495 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000417831640 529449805 /nfs/dbraw/zinc/44/98/05/529449805.db2.gz IAYSBWZYPWIUJO-HYVNUMGLSA-N 1 3 318.465 2.076 20 0 DEADHO CC[C@H](NCCOCC[NH+](C)C)c1ccc2c(c1)OCCO2 ZINC000447603037 529603575 /nfs/dbraw/zinc/60/35/75/529603575.db2.gz VDDBYFWDGOQTCP-HNNXBMFYSA-N 1 3 308.422 2.077 20 0 DEADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(Cl)nc1 ZINC000179102778 282214546 /nfs/dbraw/zinc/21/45/46/282214546.db2.gz AMSIHAOFHGOLRL-CYBMUJFWSA-N 1 3 310.873 2.412 20 0 DEADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)C1CCC1 ZINC000090038784 185279184 /nfs/dbraw/zinc/27/91/84/185279184.db2.gz AUFHODAPCUWLDX-CQSZACIVSA-N 1 3 303.450 2.256 20 0 DEADHO CCc1nc(C)c(CN(C)CCN(C)C2CC[NH+](C)CC2)o1 ZINC000428301996 529721557 /nfs/dbraw/zinc/72/15/57/529721557.db2.gz LHCIKFKVCWPVQB-UHFFFAOYSA-N 1 3 308.470 2.003 20 0 DEADHO C[NH2+]CCC1CCN(C(=O)NC[C@@H](C)N2CCC(C)CC2)CC1 ZINC000417311677 529960645 /nfs/dbraw/zinc/96/06/45/529960645.db2.gz MHKHHPFENDLMGB-MRXNPFEDSA-N 1 3 324.513 2.138 20 0 DEADHO OC[C@H]1CCCN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000092471097 539425878 /nfs/dbraw/zinc/42/58/78/539425878.db2.gz GEMCLQUWCAMIBG-QGZVFWFLSA-N 1 3 304.434 2.118 20 0 DEADHO C[C@H](NC(=O)N1CC[C@](C)(C[NH3+])C1)[C@@H](c1ccccc1)N(C)C ZINC000418192806 299127948 /nfs/dbraw/zinc/12/79/48/299127948.db2.gz YVGNTQZDTXPTIZ-QILLFSRXSA-N 1 3 318.465 2.058 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)N1CCC(C)CC1 ZINC000247203031 282480827 /nfs/dbraw/zinc/48/08/27/282480827.db2.gz XIPVCZJSKNPOMS-BRWVUGGUSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000236607762 201936124 /nfs/dbraw/zinc/93/61/24/201936124.db2.gz AASAFRMMOMECQN-ALOPSCKCSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(C)(C)N)cc2)C1 ZINC000237502834 186298317 /nfs/dbraw/zinc/29/83/17/186298317.db2.gz SKCHQRCZFRHSHV-AWEZNQCLSA-N 1 3 303.450 2.272 20 0 DEADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C(C)(C)N)cc2)C1 ZINC000237502834 186298319 /nfs/dbraw/zinc/29/83/19/186298319.db2.gz SKCHQRCZFRHSHV-AWEZNQCLSA-N 1 3 303.450 2.272 20 0 DEADHO CC[N@H+](Cc1ccc(CN(C)C)cc1)[C@H](C)CN1CCOCC1 ZINC000626062830 366032475 /nfs/dbraw/zinc/03/24/75/366032475.db2.gz IJMNLHGTHZAYRW-QGZVFWFLSA-N 1 3 319.493 2.291 20 0 DEADHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)[C@H](C)CN1CCOCC1 ZINC000626062830 366032480 /nfs/dbraw/zinc/03/24/80/366032480.db2.gz IJMNLHGTHZAYRW-QGZVFWFLSA-N 1 3 319.493 2.291 20 0 DEADHO Cn1ncc2c1CCC[C@@H]2[NH2+]C1CCN(c2ccncc2)CC1 ZINC000294305937 282829338 /nfs/dbraw/zinc/82/93/38/282829338.db2.gz VLVYTYXEFPAGPC-KRWDZBQOSA-N 1 3 311.433 2.451 20 0 DEADHO COC(=O)CCCN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174402584 198330460 /nfs/dbraw/zinc/33/04/60/198330460.db2.gz WVFCWTWTVPRDDS-KRWDZBQOSA-N 1 3 304.434 2.394 20 0 DEADHO COC(=O)CCCN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174402584 198330461 /nfs/dbraw/zinc/33/04/61/198330461.db2.gz WVFCWTWTVPRDDS-KRWDZBQOSA-N 1 3 304.434 2.394 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCCN1CCC[C@H](C)C1 ZINC000357609665 535231047 /nfs/dbraw/zinc/23/10/47/535231047.db2.gz QSGGJEGAQFKUBC-JKSUJKDBSA-N 1 3 312.502 2.138 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCCN1CCC[C@H](C)C1 ZINC000357609665 535231051 /nfs/dbraw/zinc/23/10/51/535231051.db2.gz QSGGJEGAQFKUBC-JKSUJKDBSA-N 1 3 312.502 2.138 20 0 DEADHO CCCN(C(=O)NC[C@@H](c1ccccc1)N(C)C)[C@H]1CC[NH2+]C1 ZINC000416800729 283004417 /nfs/dbraw/zinc/00/44/17/283004417.db2.gz GAFZNZONUVGUOR-IRXDYDNUSA-N 1 3 318.465 2.073 20 0 DEADHO CC(C)(N)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000236802140 202017487 /nfs/dbraw/zinc/01/74/87/202017487.db2.gz AQWQOUQPHSCUHA-UHFFFAOYSA-N 1 3 303.450 2.416 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CC[C@H](C)[C@H]3CCCC[C@@H]32)CC1 ZINC000051765592 354388852 /nfs/dbraw/zinc/38/88/52/354388852.db2.gz SIGAIWKCBAMISG-JQHSSLGASA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CCC[C@@](CNC(=O)NCCN2CCCCC2)([NH+](C)C)C1 ZINC000052518981 354405336 /nfs/dbraw/zinc/40/53/36/354405336.db2.gz VJNJELQBDVWFBU-SJLPKXTDSA-N 1 3 324.513 2.282 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](CNCc2ccc(OCCN(C)C)cc2)C1 ZINC000067507259 354764538 /nfs/dbraw/zinc/76/45/38/354764538.db2.gz BUBPTGQFEXOARC-SFHVURJKSA-N 1 3 319.493 2.447 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](CNCc2ccc(OCCN(C)C)cc2)C1 ZINC000067507259 354764542 /nfs/dbraw/zinc/76/45/42/354764542.db2.gz BUBPTGQFEXOARC-SFHVURJKSA-N 1 3 319.493 2.447 20 0 DEADHO CN1CCC(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000073106166 354943033 /nfs/dbraw/zinc/94/30/33/354943033.db2.gz VRBVROBBZARDOJ-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CN1CCC(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000073366182 354956636 /nfs/dbraw/zinc/95/66/36/354956636.db2.gz NTZCYAASQULKBK-KRWDZBQOSA-N 1 3 321.509 2.443 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CC1([NH3+])CCC1 ZINC000382720588 540123788 /nfs/dbraw/zinc/12/37/88/540123788.db2.gz LQYWJHBSOHVTCP-INIZCTEOSA-N 1 3 315.461 2.381 20 0 DEADHO C[C@H]1CCCN(CCNC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000079116345 355297643 /nfs/dbraw/zinc/29/76/43/355297643.db2.gz FYKTWUUSOBPSEJ-INIZCTEOSA-N 1 3 324.513 2.330 20 0 DEADHO CN(C)CCOc1cccc(NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000414873845 540156845 /nfs/dbraw/zinc/15/68/45/540156845.db2.gz ABWASRKZLRTQOA-KGLIPLIRSA-N 1 3 320.437 2.018 20 0 DEADHO CC[NH+](CC)C[C@H](C)NC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415977286 540162064 /nfs/dbraw/zinc/16/20/64/540162064.db2.gz SCEHSYNPZHFGSR-ZDUSSCGKSA-N 1 3 320.437 2.020 20 0 DEADHO O=C(NCCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000089582675 355536618 /nfs/dbraw/zinc/53/66/18/355536618.db2.gz SXBVXQPWLBFAJC-IAGOWNOFSA-N 1 3 319.424 2.162 20 0 DEADHO O=C(NCCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000089582675 355536621 /nfs/dbraw/zinc/53/66/21/355536621.db2.gz SXBVXQPWLBFAJC-IAGOWNOFSA-N 1 3 319.424 2.162 20 0 DEADHO O=C(NCCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000089585015 355536920 /nfs/dbraw/zinc/53/69/20/355536920.db2.gz FCWDWQCCAIZYLD-IAGOWNOFSA-N 1 3 319.424 2.162 20 0 DEADHO O=C(NCCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000089585015 355536925 /nfs/dbraw/zinc/53/69/25/355536925.db2.gz FCWDWQCCAIZYLD-IAGOWNOFSA-N 1 3 319.424 2.162 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CCN1C ZINC000341202504 291073283 /nfs/dbraw/zinc/07/32/83/291073283.db2.gz MSHAQTOGHONOEE-HOTGVXAUSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)N2CCC[N@H+](C3CCCC3)CC2)CCN1C ZINC000341202504 291073285 /nfs/dbraw/zinc/07/32/85/291073285.db2.gz MSHAQTOGHONOEE-HOTGVXAUSA-N 1 3 322.497 2.129 20 0 DEADHO CN1CCCN(CCC[NH2+]Cc2ccc3ncccc3c2)CC1 ZINC000105477146 355720406 /nfs/dbraw/zinc/72/04/06/355720406.db2.gz CNAKJOMKQQMXBM-UHFFFAOYSA-N 1 3 312.461 2.352 20 0 DEADHO CN1CCC[C@@H](CNC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000111862750 355751061 /nfs/dbraw/zinc/75/10/61/355751061.db2.gz LZLUNVLQHSRIRA-KRWDZBQOSA-N 1 3 324.513 2.284 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)CN1C1CC1 ZINC000185798954 291075364 /nfs/dbraw/zinc/07/53/64/291075364.db2.gz MTCVIKNTSRAJDV-LSDHHAIUSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CC(C)(C)[NH3+] ZINC000370772958 283131814 /nfs/dbraw/zinc/13/18/14/283131814.db2.gz MXBKHNRWBWFWFB-ZBFHGGJFSA-N 1 3 303.450 2.141 20 0 DEADHO C[NH+](C)Cc1ccc(CN[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000182233193 356115038 /nfs/dbraw/zinc/11/50/38/356115038.db2.gz CNWPWMLKLHQLFB-IAGOWNOFSA-N 1 3 324.490 2.194 20 0 DEADHO C[C@H](c1ccccc1F)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000195519287 356254896 /nfs/dbraw/zinc/25/48/96/356254896.db2.gz YZALUFJSZZKAKS-CQSZACIVSA-N 1 3 321.440 2.277 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CNC2CC2)CC1 ZINC000237667994 356299451 /nfs/dbraw/zinc/29/94/51/356299451.db2.gz BURMOVCKRQOCSG-OAHLLOKOSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)CNC2CC2)CC1 ZINC000237667994 356299454 /nfs/dbraw/zinc/29/94/54/356299454.db2.gz BURMOVCKRQOCSG-OAHLLOKOSA-N 1 3 307.482 2.242 20 0 DEADHO O=C(CNC1CC1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000238166995 356303562 /nfs/dbraw/zinc/30/35/62/356303562.db2.gz TZBIZYHXRKWMCV-UHFFFAOYSA-N 1 3 315.461 2.431 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)[C@H](N)c2ccccc2)C1 ZINC000316262214 356428580 /nfs/dbraw/zinc/42/85/80/356428580.db2.gz FVLDLNNBLQHKFK-UXLLHSPISA-N 1 3 303.450 2.169 20 0 DEADHO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H](C)[C@H](N)c2ccccc2)C1 ZINC000316262214 356428584 /nfs/dbraw/zinc/42/85/84/356428584.db2.gz FVLDLNNBLQHKFK-UXLLHSPISA-N 1 3 303.450 2.169 20 0 DEADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@H]1CCCCC[NH2+]1 ZINC000321962186 356450836 /nfs/dbraw/zinc/45/08/36/356450836.db2.gz GCLQEWXVWADGAN-QZTJIDSGSA-N 1 3 315.461 2.472 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000320813875 356447132 /nfs/dbraw/zinc/44/71/32/356447132.db2.gz LJEDVSUVNIKQMD-AWEZNQCLSA-N 1 3 317.433 2.085 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCOc1ccc(Cl)c(F)c1 ZINC000423156555 283195729 /nfs/dbraw/zinc/19/57/29/283195729.db2.gz SSWPGPNKLAHYTK-ITDIGPHOSA-N 1 3 316.804 2.200 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000423770384 283199621 /nfs/dbraw/zinc/19/96/21/283199621.db2.gz DGZJONYPRJRZLE-ZMSDIMECSA-N 1 3 303.450 2.011 20 0 DEADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)CC1(C[NH3+])CCCCC1 ZINC000423769035 283198662 /nfs/dbraw/zinc/19/86/62/283198662.db2.gz YAEZQZWTZCVHAC-OAHLLOKOSA-N 1 3 309.498 2.474 20 0 DEADHO CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000237045491 202134227 /nfs/dbraw/zinc/13/42/27/202134227.db2.gz JHUGMTUPNDMPMR-UAGQMJEPSA-N 1 3 303.450 2.141 20 0 DEADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccc(Cl)cc1 ZINC000386319694 356696339 /nfs/dbraw/zinc/69/63/39/356696339.db2.gz FDFZQJUPGUMPAC-BETUJISGSA-N 1 3 307.825 2.210 20 0 DEADHO C[NH2+]CCCC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000237118213 202158348 /nfs/dbraw/zinc/15/83/48/202158348.db2.gz CNSVXZAVDMTKRA-KRWDZBQOSA-N 1 3 303.450 2.109 20 0 DEADHO CCN(CC[NH3+])C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000626933059 366365523 /nfs/dbraw/zinc/36/55/23/366365523.db2.gz GCASXKCDJWQWQR-CQSZACIVSA-N 1 3 312.483 2.121 20 0 DEADHO NCc1cn([C@@H]2CCC[N@H+](CCOC3CCCCCC3)C2)nn1 ZINC000581243716 357155154 /nfs/dbraw/zinc/15/51/54/357155154.db2.gz QDFVSYIAXMZJJZ-MRXNPFEDSA-N 1 3 321.469 2.113 20 0 DEADHO NCc1cn([C@@H]2CCC[N@@H+](CCOC3CCCCCC3)C2)nn1 ZINC000581243716 357155156 /nfs/dbraw/zinc/15/51/56/357155156.db2.gz QDFVSYIAXMZJJZ-MRXNPFEDSA-N 1 3 321.469 2.113 20 0 DEADHO CC(C)=C[C@H]1[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)C1(C)C ZINC000590817400 357619661 /nfs/dbraw/zinc/61/96/61/357619661.db2.gz CGEAHGVOSSBNHW-JKSUJKDBSA-N 1 3 309.498 2.177 20 0 DEADHO C[C@@H](NC(C)(C)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000449346655 283274169 /nfs/dbraw/zinc/27/41/69/283274169.db2.gz OLSHAOSYXMBBSB-IIAWOOMASA-N 1 3 303.450 2.088 20 0 DEADHO CC[NH2+]CC1CCN(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000655973889 540297902 /nfs/dbraw/zinc/29/79/02/540297902.db2.gz KCTDFKINGTWGDH-IRXDYDNUSA-N 1 3 322.497 2.034 20 0 DEADHO COC(=O)c1coc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000592433622 357876169 /nfs/dbraw/zinc/87/61/69/357876169.db2.gz MLIQGDUYKLUWEB-KGLIPLIRSA-N 1 3 306.406 2.278 20 0 DEADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000459419193 283300773 /nfs/dbraw/zinc/30/07/73/283300773.db2.gz BFTHBAXYOBBPHO-GOSISDBHSA-N 1 3 315.461 2.241 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000662824327 540335504 /nfs/dbraw/zinc/33/55/04/540335504.db2.gz WKEBNOOVJQGLGH-KRWDZBQOSA-N 1 3 318.465 2.145 20 0 DEADHO CC1(C)C[C@]1([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000663515031 540340774 /nfs/dbraw/zinc/34/07/74/540340774.db2.gz YJBZRZKYKHROFX-KXBFYZLASA-N 1 3 315.461 2.099 20 0 DEADHO CCN(C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1)[C@@H]1CCN(C)C1 ZINC000664498209 540346077 /nfs/dbraw/zinc/34/60/77/540346077.db2.gz AWEVCTIJHXNJCS-IAGOWNOFSA-N 1 3 324.513 2.090 20 0 DEADHO CCN(C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1)[C@@H]1CCN(C)C1 ZINC000664498209 540346081 /nfs/dbraw/zinc/34/60/81/540346081.db2.gz AWEVCTIJHXNJCS-IAGOWNOFSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)[C@H]2CCCN2C2CC2)C1 ZINC000494283420 283316731 /nfs/dbraw/zinc/31/67/31/283316731.db2.gz WGSKKVALTBYWIK-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCCN2C2CC2)C1 ZINC000494283420 283316736 /nfs/dbraw/zinc/31/67/36/283316736.db2.gz WGSKKVALTBYWIK-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO COC(=O)COc1ccc(CN2CCC[C@H](C)[C@@H]2CC[NH3+])cc1 ZINC000593317221 358053210 /nfs/dbraw/zinc/05/32/10/358053210.db2.gz SJADISXSCZXCTJ-YOEHRIQHSA-N 1 3 320.433 2.188 20 0 DEADHO CCCN1CC[C@H](NC(=O)N(CC)CCC[NH+](CC)CC)C1 ZINC000666923895 540364275 /nfs/dbraw/zinc/36/42/75/540364275.db2.gz UFLZTQHHZIZPRU-INIZCTEOSA-N 1 3 312.502 2.234 20 0 DEADHO CCCN1CC[C@@H](NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000666926693 540364492 /nfs/dbraw/zinc/36/44/92/540364492.db2.gz WEWRRCLCVAETGK-SJORKVTESA-N 1 3 322.497 2.131 20 0 DEADHO CN(C)C(=O)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180134004 199121305 /nfs/dbraw/zinc/12/13/05/199121305.db2.gz ZMTQEYNLDFEUEX-AYHJJNSGSA-N 1 3 315.461 2.250 20 0 DEADHO CN(C)C(=O)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180134004 199121307 /nfs/dbraw/zinc/12/13/07/199121307.db2.gz ZMTQEYNLDFEUEX-AYHJJNSGSA-N 1 3 315.461 2.250 20 0 DEADHO CSCC[C@H](N)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000237315417 202228223 /nfs/dbraw/zinc/22/82/23/202228223.db2.gz JNWXROIPQWFALR-ZBFHGGJFSA-N 1 3 323.506 2.094 20 0 DEADHO CSCC[C@H](N)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000237315417 202228225 /nfs/dbraw/zinc/22/82/25/202228225.db2.gz JNWXROIPQWFALR-ZBFHGGJFSA-N 1 3 323.506 2.094 20 0 DEADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccncc1 ZINC000180646199 199190391 /nfs/dbraw/zinc/19/03/91/199190391.db2.gz QXFYNGWICMUYMA-KXBFYZLASA-N 1 3 311.429 2.499 20 0 DEADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccncc1 ZINC000180646199 199190393 /nfs/dbraw/zinc/19/03/93/199190393.db2.gz QXFYNGWICMUYMA-KXBFYZLASA-N 1 3 311.429 2.499 20 0 DEADHO CCN(CC[NH3+])C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000627028311 366411991 /nfs/dbraw/zinc/41/19/91/366411991.db2.gz IEWMIDHYYYKMCU-UHFFFAOYSA-N 1 3 310.486 2.023 20 0 DEADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cccs1 ZINC000414206705 299283667 /nfs/dbraw/zinc/28/36/67/299283667.db2.gz YVLDVFSFOXTTGP-HNNXBMFYSA-N 1 3 323.506 2.195 20 0 DEADHO COC(=O)c1cc(C[NH2+]CC(C)(C)CN(C)C)n2c1CCCC2 ZINC000598632503 359268230 /nfs/dbraw/zinc/26/82/30/359268230.db2.gz ZBLJKKSDWJKBJN-UHFFFAOYSA-N 1 3 321.465 2.288 20 0 DEADHO C[C@H](NC(=O)Nc1ccc2c(c1)CNC2)C1CC[NH+](C)CC1 ZINC000667854206 540539885 /nfs/dbraw/zinc/53/98/85/540539885.db2.gz LBTOSSLZOGDUKW-LBPRGKRZSA-N 1 3 302.422 2.142 20 0 DEADHO CCN1CC[C@H](C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000187130291 200066336 /nfs/dbraw/zinc/06/63/36/200066336.db2.gz ITNADMHNJNWEGK-OAHLLOKOSA-N 1 3 301.434 2.027 20 0 DEADHO CN(CCCN(C)Cc1c(C2CCC2)cnn1C)CC[NH+](C)C ZINC000668176470 540607568 /nfs/dbraw/zinc/60/75/68/540607568.db2.gz WKFDRJXEVHPJGI-UHFFFAOYSA-N 1 3 321.513 2.003 20 0 DEADHO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000668490066 540672713 /nfs/dbraw/zinc/67/27/13/540672713.db2.gz QCRMYGGMAOTNFV-XOKHGSTOSA-N 1 3 306.475 2.094 20 0 DEADHO C[C@@H](C(=O)NCc1ccc2c(c1)C[NH2+]C2)[C@@H](N)c1ccccc1 ZINC000188724125 200295042 /nfs/dbraw/zinc/29/50/42/200295042.db2.gz ZQPYKWLMBFXWSW-FZKQIMNGSA-N 1 3 309.413 2.242 20 0 DEADHO COc1ccc2c(c1)[C@H]([NH2+]CC1(O)CCN(C)CC1)CCS2 ZINC000276080395 212663702 /nfs/dbraw/zinc/66/37/02/212663702.db2.gz BGGCDGRXZRUJDL-OAHLLOKOSA-N 1 3 322.474 2.278 20 0 DEADHO C[C@H](O)C1(NCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000668697269 540712576 /nfs/dbraw/zinc/71/25/76/540712576.db2.gz YZTMUZCMEMWVRY-HNNXBMFYSA-N 1 3 304.434 2.164 20 0 DEADHO COC(=O)[C@](C)(CN[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000602628594 360465497 /nfs/dbraw/zinc/46/54/97/360465497.db2.gz HIYXLCCBEDPLRG-QGPMSJSTSA-N 1 3 304.434 2.190 20 0 DEADHO COC(=O)[C@](C)(CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000602628594 360465499 /nfs/dbraw/zinc/46/54/99/360465499.db2.gz HIYXLCCBEDPLRG-QGPMSJSTSA-N 1 3 304.434 2.190 20 0 DEADHO COC(=O)c1cccc(CN2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000602876815 360605202 /nfs/dbraw/zinc/60/52/02/360605202.db2.gz BJNIVPNTJAKWEL-UHFFFAOYSA-N 1 3 302.418 2.391 20 0 DEADHO C[C@@H]1CCc2ccccc2N1C(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000443063861 238100822 /nfs/dbraw/zinc/10/08/22/238100822.db2.gz XHTKZDNEZFZEKD-HZPDHXFCSA-N 1 3 315.461 2.415 20 0 DEADHO [NH3+]CC[C@@H]1CCCN(CC(=O)NCCc2ccc(Cl)cc2)C1 ZINC000443063961 238102162 /nfs/dbraw/zinc/10/21/62/238102162.db2.gz XNUOEQFRGRCVMI-HNNXBMFYSA-N 1 3 323.868 2.060 20 0 DEADHO [NH3+]CC[C@@H]1CCCN(CC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000443060423 238102361 /nfs/dbraw/zinc/10/23/61/238102361.db2.gz PGNJRMUNDPBNOF-MAUKXSAKSA-N 1 3 315.461 2.241 20 0 DEADHO CC[C@@H]1CN(C(=O)NCCN2CCCC[C@@H]2CC)CC[C@H]1[NH3+] ZINC000669489826 540843162 /nfs/dbraw/zinc/84/31/62/540843162.db2.gz LGJDZUSSMNFOCW-OWCLPIDISA-N 1 3 310.486 2.020 20 0 DEADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000417317842 296023507 /nfs/dbraw/zinc/02/35/07/296023507.db2.gz XMVKEWUKUASDAV-OAGGEKHMSA-N 1 3 310.486 2.018 20 0 DEADHO C[C@@H](C[NH3+])CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669484022 540841856 /nfs/dbraw/zinc/84/18/56/540841856.db2.gz YUVHFVQVYRDIAU-RDJZCZTQSA-N 1 3 318.465 2.108 20 0 DEADHO [NH3+]C/C=C/CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669483789 540842087 /nfs/dbraw/zinc/84/20/87/540842087.db2.gz MYQHNGKZPRNZTG-RTRPANQVSA-N 1 3 316.449 2.028 20 0 DEADHO C[NH2+]CCCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669483619 540842160 /nfs/dbraw/zinc/84/21/60/540842160.db2.gz DVDFEKALAUMUJN-KRWDZBQOSA-N 1 3 318.465 2.122 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000669529694 540853636 /nfs/dbraw/zinc/85/36/36/540853636.db2.gz YKMDBIANFSSKLL-MRXNPFEDSA-N 1 3 322.497 2.036 20 0 DEADHO C[C@@]1(O)C[C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000669574132 540866790 /nfs/dbraw/zinc/86/67/90/540866790.db2.gz QKTBZJWLTKAKKG-MAEOIBBWSA-N 1 3 304.434 2.164 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000605989023 360992654 /nfs/dbraw/zinc/99/26/54/360992654.db2.gz WHBBALFSEMCUKU-DLBZAZTESA-N 1 3 324.513 2.423 20 0 DEADHO C[C@H]1COCC[C@H]1C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000671727132 541005040 /nfs/dbraw/zinc/00/50/40/541005040.db2.gz IUHJEPVDUCMHFO-RDJZCZTQSA-N 1 3 306.450 2.389 20 0 DEADHO C[C@H]([NH3+])CCC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000193301638 201024642 /nfs/dbraw/zinc/02/46/42/201024642.db2.gz RKSIORQSWLVICX-RDJZCZTQSA-N 1 3 303.450 2.237 20 0 DEADHO C[C@@H]([NH3+])CCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000193310773 201027246 /nfs/dbraw/zinc/02/72/46/201027246.db2.gz APXBVRKYRCBVTB-BFYDXBDKSA-N 1 3 303.450 2.283 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000672942685 541076698 /nfs/dbraw/zinc/07/66/98/541076698.db2.gz LHLCJEYUWBXUOE-BRWVUGGUSA-N 1 3 322.497 2.129 20 0 DEADHO Cc1ccc(NC(=O)c2csc(CC[NH3+])n2)c(CN(C)C)c1 ZINC000194836945 201297343 /nfs/dbraw/zinc/29/73/43/201297343.db2.gz JIEUMMFAGJFLED-UHFFFAOYSA-N 1 3 318.446 2.267 20 0 DEADHO C[C@H]1CCC[N@H+](CCNC(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000447970803 239196040 /nfs/dbraw/zinc/19/60/40/239196040.db2.gz GVHUWGSGCNISRA-JKSUJKDBSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H]1CCC[N@@H+](CCNC(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000447970803 239196047 /nfs/dbraw/zinc/19/60/47/239196047.db2.gz GVHUWGSGCNISRA-JKSUJKDBSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448261277 239303756 /nfs/dbraw/zinc/30/37/56/239303756.db2.gz OXOBDUNZXJXYBP-OWCLPIDISA-N 1 3 324.513 2.088 20 0 DEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448261277 239303766 /nfs/dbraw/zinc/30/37/66/239303766.db2.gz OXOBDUNZXJXYBP-OWCLPIDISA-N 1 3 324.513 2.088 20 0 DEADHO CCCN1CC[C@H](NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000619903239 363901251 /nfs/dbraw/zinc/90/12/51/363901251.db2.gz YNVGLLNVYPYFGG-IRXDYDNUSA-N 1 3 303.450 2.280 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000621106522 364257602 /nfs/dbraw/zinc/25/76/02/364257602.db2.gz MYHLCBSHTYFOHG-INMHGKMJSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000621106522 364257612 /nfs/dbraw/zinc/25/76/12/364257612.db2.gz MYHLCBSHTYFOHG-INMHGKMJSA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000623058580 364871390 /nfs/dbraw/zinc/87/13/90/364871390.db2.gz GHMOZHAZLNEQAT-GDBMZVCRSA-N 1 3 304.438 2.387 20 0 DEADHO C[C@@H](NCc1nccn1CC(F)(F)F)C1CC[NH+](C)CC1 ZINC000675811102 541386274 /nfs/dbraw/zinc/38/62/74/541386274.db2.gz ZBELDGAGYOQYFN-LLVKDONJSA-N 1 3 304.360 2.265 20 0 DEADHO CC(C)CN1CCC([NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000675881968 541391025 /nfs/dbraw/zinc/39/10/25/541391025.db2.gz OGBSHOBIADAESJ-LJQANCHMSA-N 1 3 323.525 2.340 20 0 DEADHO COc1ccc(-n2cc(CNCC3CC[NH+](C)CC3)cn2)cc1 ZINC000449132546 240096983 /nfs/dbraw/zinc/09/69/83/240096983.db2.gz VEEBNRVPMJDWRP-UHFFFAOYSA-N 1 3 314.433 2.312 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000449153416 240132783 /nfs/dbraw/zinc/13/27/83/240132783.db2.gz JQSHYBXTCARXOG-ZMSDIMECSA-N 1 3 303.450 2.154 20 0 DEADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@H](O)C(F)F)CC1 ZINC000449172892 240152843 /nfs/dbraw/zinc/15/28/43/240152843.db2.gz NAAFYBBZFRTKFW-CJNGLKHVSA-N 1 3 312.404 2.298 20 0 DEADHO C[C@H](C[NH2+]CCCN1CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449220756 240219317 /nfs/dbraw/zinc/21/93/17/240219317.db2.gz RLXBDONSCFHFCN-OAHLLOKOSA-N 1 3 324.490 2.269 20 0 DEADHO C[C@H](CNCCC[NH+]1CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449220756 240219332 /nfs/dbraw/zinc/21/93/32/240219332.db2.gz RLXBDONSCFHFCN-OAHLLOKOSA-N 1 3 324.490 2.269 20 0 DEADHO C[NH+](C)CCCCNCc1ncc(Br)cc1F ZINC000623383263 365009234 /nfs/dbraw/zinc/00/92/34/365009234.db2.gz LHVUUMPGCUYRJK-UHFFFAOYSA-N 1 3 304.207 2.415 20 0 DEADHO CN(c1ccccc1C[NH2+]C[C@H]1C[C@@H](O)C1)C1CCN(C)CC1 ZINC000623749682 365161296 /nfs/dbraw/zinc/16/12/96/365161296.db2.gz MZMFFWIGPPTALF-RHNCMZPLSA-N 1 3 317.477 2.078 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000623965689 365237471 /nfs/dbraw/zinc/23/74/71/365237471.db2.gz RDEKIONSDFEKHU-HOTGVXAUSA-N 1 3 324.513 2.138 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623965689 365237477 /nfs/dbraw/zinc/23/74/77/365237477.db2.gz RDEKIONSDFEKHU-HOTGVXAUSA-N 1 3 324.513 2.138 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc[nH]c2=O)[C@@H](C)C1 ZINC000624258190 365358450 /nfs/dbraw/zinc/35/84/50/365358450.db2.gz BSVHBJCLUYPRIO-HOCLYGCPSA-N 1 3 307.438 2.014 20 0 DEADHO CC(C)[NH+]1CCC(NCC[C@@H](O)COCc2ccccc2)CC1 ZINC000624322770 365380874 /nfs/dbraw/zinc/38/08/74/365380874.db2.gz YKHPGMFPWLAPEZ-LJQANCHMSA-N 1 3 320.477 2.417 20 0 DEADHO CN1CCC[C@@H]1CNC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000628648076 366915198 /nfs/dbraw/zinc/91/51/98/366915198.db2.gz WFTUFPCFDNUNHH-MSOLQXFVSA-N 1 3 315.461 2.076 20 0 DEADHO CC(C)[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000676697447 541482540 /nfs/dbraw/zinc/48/25/40/541482540.db2.gz WZWWNXRRJNSLKY-DOTOQJQBSA-N 1 3 307.482 2.382 20 0 DEADHO Cc1ccc2c(CCNC[C@H](O)C[NH+]3CCCC3)c[nH]c2c1 ZINC000629558077 367249168 /nfs/dbraw/zinc/24/91/68/367249168.db2.gz ACJRSZQSTWEAKJ-INIZCTEOSA-N 1 3 301.434 2.065 20 0 DEADHO COc1ccsc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000629672978 367296187 /nfs/dbraw/zinc/29/61/87/367296187.db2.gz YZSSWUDZSWHVGD-CQSZACIVSA-N 1 3 310.463 2.347 20 0 DEADHO CN(CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)C1CCC1 ZINC000629965520 367404045 /nfs/dbraw/zinc/40/40/45/367404045.db2.gz VRHZGDZIGWZLQW-GOSISDBHSA-N 1 3 315.461 2.204 20 0 DEADHO CN(CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)C1CCC1 ZINC000629965520 367404051 /nfs/dbraw/zinc/40/40/51/367404051.db2.gz VRHZGDZIGWZLQW-GOSISDBHSA-N 1 3 315.461 2.204 20 0 DEADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000629980294 367415889 /nfs/dbraw/zinc/41/58/89/367415889.db2.gz XHEHKDCOOCCLNR-LSDHHAIUSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000629980294 367415894 /nfs/dbraw/zinc/41/58/94/367415894.db2.gz XHEHKDCOOCCLNR-LSDHHAIUSA-N 1 3 307.482 2.240 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@H]2CC[NH2+]C23CCC3)c1 ZINC000630578097 367735660 /nfs/dbraw/zinc/73/56/60/367735660.db2.gz GRTCJVGUCSEJJE-HNNXBMFYSA-N 1 3 302.422 2.154 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H]2CCc3cc(OC)ccc32)CC1 ZINC000631567376 368291487 /nfs/dbraw/zinc/29/14/87/368291487.db2.gz YZIIYFNAXOWPIM-IBGZPJMESA-N 1 3 317.477 2.300 20 0 DEADHO [NH3+]Cc1cn([C@H]2CCN([C@H]3CCc4c3cccc4Cl)C2)nn1 ZINC000631844880 368421428 /nfs/dbraw/zinc/42/14/28/368421428.db2.gz OIQPAFZXMIPXTK-LRDDRELGSA-N 1 3 317.824 2.325 20 0 DEADHO Cc1nccn1CCCCN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000678074191 541674050 /nfs/dbraw/zinc/67/40/50/541674050.db2.gz UXTKURJVYNZWMT-SFHVURJKSA-N 1 3 320.481 2.158 20 0 DEADHO Cc1nccn1CCCCN1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000678074191 541674054 /nfs/dbraw/zinc/67/40/54/541674054.db2.gz UXTKURJVYNZWMT-SFHVURJKSA-N 1 3 320.481 2.158 20 0 DEADHO C[C@@H](Cc1cnn(C)c1)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000678143467 541685246 /nfs/dbraw/zinc/68/52/46/541685246.db2.gz GEZKQPUBQNZUFM-HNNXBMFYSA-N 1 3 316.449 2.081 20 0 DEADHO O=C(CC[C@H]1CCC[NH2+]1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000261617393 203080606 /nfs/dbraw/zinc/08/06/06/203080606.db2.gz BTCZTLGWEYPIMN-QZTJIDSGSA-N 1 3 315.461 2.472 20 0 DEADHO C[C@@H]1CCC[C@](CNC(=O)[C@H](N)Cc2ccccc2)([NH+](C)C)C1 ZINC000261759866 203111768 /nfs/dbraw/zinc/11/17/68/203111768.db2.gz PVABZRLGWMRYDV-SUMDDJOVSA-N 1 3 317.477 2.183 20 0 DEADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccc2c(c1F)CCNC2 ZINC000261772646 203112862 /nfs/dbraw/zinc/11/28/62/203112862.db2.gz RNDXBPBBNKKAPA-QXMXGUDHSA-N 1 3 317.408 2.331 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)N(C)C)cc1 ZINC000262361261 203274203 /nfs/dbraw/zinc/27/42/03/203274203.db2.gz IPJSFXIQUMJVMA-XIRDDKMYSA-N 1 3 303.450 2.102 20 0 DEADHO C[C@H](C(=O)NCC1([NH+](C)C)CCCC1)[C@H](N)c1ccccc1 ZINC000262344694 203269674 /nfs/dbraw/zinc/26/96/74/203269674.db2.gz URHCVMNVDZZOKO-HOCLYGCPSA-N 1 3 303.450 2.313 20 0 DEADHO N[C@@H](CC(=O)N(CCC[NH3+])Cc1ccccc1)c1ccccc1 ZINC000262477040 203303581 /nfs/dbraw/zinc/30/35/81/203303581.db2.gz QHPASHQSXBQMCK-SFHVURJKSA-N 1 3 311.429 2.454 20 0 DEADHO CCC[NH+]1CCC(N2CCC[C@H](CC(C)(C)C(N)=O)C2)CC1 ZINC000453272522 245043401 /nfs/dbraw/zinc/04/34/01/245043401.db2.gz DWYCZCCIUCIBHW-OAHLLOKOSA-N 1 3 309.498 2.474 20 0 DEADHO C[C@@H]([NH2+]CCC1(CO)CC1)c1ccc(OCCN(C)C)cc1 ZINC000453328839 245074026 /nfs/dbraw/zinc/07/40/26/245074026.db2.gz COEBLONQOFCHFW-OAHLLOKOSA-N 1 3 306.450 2.440 20 0 DEADHO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000264669623 204066460 /nfs/dbraw/zinc/06/64/60/204066460.db2.gz LFCLVVLCOJBBLI-KRWDZBQOSA-N 1 3 315.461 2.354 20 0 DEADHO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000264669623 204066464 /nfs/dbraw/zinc/06/64/64/204066464.db2.gz LFCLVVLCOJBBLI-KRWDZBQOSA-N 1 3 315.461 2.354 20 0 DEADHO C[C@@H](CC[NH+](C)C)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000264911340 204261652 /nfs/dbraw/zinc/26/16/52/204261652.db2.gz NOYIBDZKIXSAPV-HNNXBMFYSA-N 1 3 303.450 2.352 20 0 DEADHO CN(C)CC(C)(C)NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000458423851 248302337 /nfs/dbraw/zinc/30/23/37/248302337.db2.gz JLUYRAMOHWRYDQ-UHFFFAOYSA-N 1 3 312.502 2.282 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NCCCCC[NH+]1CCCC1 ZINC000458433368 248307304 /nfs/dbraw/zinc/30/73/04/248307304.db2.gz HTCLZUPBENUWFX-INIZCTEOSA-N 1 3 310.486 2.036 20 0 DEADHO C[C@H](C[NH2+]C1CCN(c2cnccn2)CC1)CN1CCCCC1 ZINC000531938768 284631615 /nfs/dbraw/zinc/63/16/15/284631615.db2.gz OHUWOQKDQJVRSJ-MRXNPFEDSA-N 1 3 317.481 2.157 20 0 DEADHO C[NH+](C)C/C=C\C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000492923316 249173501 /nfs/dbraw/zinc/17/35/01/249173501.db2.gz OOOUUTQYAHIBSX-UTCJRWHESA-N 1 3 321.490 2.194 20 0 DEADHO CN(C)C/C=C\C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000493269465 249265396 /nfs/dbraw/zinc/26/53/96/249265396.db2.gz WFWMKMPTIPZMGE-IYKSTZQJSA-N 1 3 323.868 2.219 20 0 DEADHO CN(C(=O)C1CCN(C)CC1)C(C)(C)C[NH+]1CCCCCC1 ZINC000681755701 542202603 /nfs/dbraw/zinc/20/26/03/542202603.db2.gz KAOKACTUTLPUMN-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO Cc1ccccc1C[C@H]([NH2+]CC1(O)CCN(C)CC1)C1CC1 ZINC000284190650 217923928 /nfs/dbraw/zinc/92/39/28/217923928.db2.gz GEIYJBVBRAJVQE-SFHVURJKSA-N 1 3 302.462 2.362 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000105241759 194087927 /nfs/dbraw/zinc/08/79/27/194087927.db2.gz OWBNYZAZTYQENA-INIZCTEOSA-N 1 3 312.502 2.234 20 0 DEADHO CCN1CCC(N(C)C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000262481835 535454844 /nfs/dbraw/zinc/45/48/44/535454844.db2.gz ZPCAGOSCDSGJBK-KWOWKCNFSA-N 1 3 307.482 2.083 20 0 DEADHO COCCN(C)CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000268851636 207017779 /nfs/dbraw/zinc/01/77/79/207017779.db2.gz PJHDZPZMSKCYAV-PKOBYXMFSA-N 1 3 319.493 2.207 20 0 DEADHO COCCN(C)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268851636 207017782 /nfs/dbraw/zinc/01/77/82/207017782.db2.gz PJHDZPZMSKCYAV-PKOBYXMFSA-N 1 3 319.493 2.207 20 0 DEADHO COCCN(C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268851636 207017784 /nfs/dbraw/zinc/01/77/84/207017784.db2.gz PJHDZPZMSKCYAV-PKOBYXMFSA-N 1 3 319.493 2.207 20 0 DEADHO C[C@H](NC(=O)c1cccc(CN2CCCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000269243692 207373658 /nfs/dbraw/zinc/37/36/58/207373658.db2.gz YCRVWLVUANGDDH-YJBOKZPZSA-N 1 3 315.461 2.400 20 0 DEADHO COC1(C[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)CCCCC1 ZINC000682942071 542380897 /nfs/dbraw/zinc/38/08/97/542380897.db2.gz JRDVLYIJGQXUFA-INIZCTEOSA-N 1 3 309.498 2.094 20 0 DEADHO Cc1ccnc(CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000683010939 542391021 /nfs/dbraw/zinc/39/10/21/542391021.db2.gz GMZKYZCXFDVXMI-UHFFFAOYSA-N 1 3 303.450 2.467 20 0 DEADHO CSc1nnc(CCCN[C@H]2CCC[C@@H]2[NH3+])n1CC(C)C ZINC000422730520 533085765 /nfs/dbraw/zinc/08/57/65/533085765.db2.gz MCLYVDODALJRSB-STQMWFEESA-N 1 3 311.499 2.058 20 0 DEADHO O[C@@H](CCc1ccccc1)CNC1CC[NH+](CC2CC2)CC1 ZINC000541558275 285172623 /nfs/dbraw/zinc/17/26/23/285172623.db2.gz NKIPNINAWNCLJS-IBGZPJMESA-N 1 3 302.462 2.444 20 0 DEADHO CCN1CCC(NC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)CC1 ZINC000454618340 285190084 /nfs/dbraw/zinc/19/00/84/285190084.db2.gz MEBZIRLJXOJYMG-KRWDZBQOSA-N 1 3 324.513 2.280 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000155649518 197075325 /nfs/dbraw/zinc/07/53/25/197075325.db2.gz OGQUWQMWUOPPMU-KRWDZBQOSA-N 1 3 303.450 2.386 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)NC[C@H](Cc1ccccc1)[NH+](CC)CC ZINC000155635510 197073272 /nfs/dbraw/zinc/07/32/72/197073272.db2.gz SNBDIHWSSXAJHW-SZMVWBNQSA-N 1 3 319.493 2.429 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CC12CCCC2 ZINC000354213113 285247169 /nfs/dbraw/zinc/24/71/69/285247169.db2.gz VHCJQEIWBKFYTE-SJORKVTESA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CC12CCCC2 ZINC000354213113 285247171 /nfs/dbraw/zinc/24/71/71/285247171.db2.gz VHCJQEIWBKFYTE-SJORKVTESA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCC[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)[C@H]1C ZINC000414200316 296441388 /nfs/dbraw/zinc/44/13/88/296441388.db2.gz RTJNISRPBKSNMG-FGTMMUONSA-N 1 3 323.525 2.197 20 0 DEADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)CC1CCCCC1 ZINC001422532574 1172681787 /nfs/dbraw/zinc/68/17/87/1172681787.db2.gz SAAHNCVBBYDLEI-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)CC1CCCCC1 ZINC001422532574 1172681798 /nfs/dbraw/zinc/68/17/98/1172681798.db2.gz SAAHNCVBBYDLEI-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO COC[C@H](CC(C)C)[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000360945804 285371433 /nfs/dbraw/zinc/37/14/33/285371433.db2.gz GTSFPDJTUVBZRT-KRWDZBQOSA-N 1 3 311.514 2.196 20 0 DEADHO C[C@@H](NCC1(N(C)C)Cc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422789051 533360420 /nfs/dbraw/zinc/36/04/20/533360420.db2.gz SYIZTMCVLJGHBI-CRAIPNDOSA-N 1 3 301.478 2.206 20 0 DEADHO C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1(N2CCOCC2)CCCCC1 ZINC000246201696 533370384 /nfs/dbraw/zinc/37/03/84/533370384.db2.gz DTVOMMCOFNVWPO-MSOLQXFVSA-N 1 3 321.509 2.238 20 0 DEADHO C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1(N2CCOCC2)CCCCC1 ZINC000246201696 533370388 /nfs/dbraw/zinc/37/03/88/533370388.db2.gz DTVOMMCOFNVWPO-MSOLQXFVSA-N 1 3 321.509 2.238 20 0 DEADHO COc1ccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)N)CCC2)cc1 ZINC000423035609 533425791 /nfs/dbraw/zinc/42/57/91/533425791.db2.gz RZNMCMINDGWIBU-ZTFGCOKTSA-N 1 3 318.461 2.459 20 0 DEADHO COc1ccc(C2(CN[C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])CCC2)cc1 ZINC000423035609 533425794 /nfs/dbraw/zinc/42/57/94/533425794.db2.gz RZNMCMINDGWIBU-ZTFGCOKTSA-N 1 3 318.461 2.459 20 0 DEADHO COc1cccc(N2CC[C@H](N[C@H]3CC[NH2+]CC[C@H]3C)C2)c1 ZINC000422703104 533587757 /nfs/dbraw/zinc/58/77/57/533587757.db2.gz HBANDCXRCMFISS-VKJFTORMSA-N 1 3 303.450 2.252 20 0 DEADHO COc1cccc(NC(=O)CCN2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000422625200 533598560 /nfs/dbraw/zinc/59/85/60/533598560.db2.gz AXKGGWGXTYMNCJ-KKUMJFAQSA-N 1 3 319.449 2.329 20 0 DEADHO COc1cccc(NC(=O)CC[N@@H+]2C[C@H](CN)[C@@H](C)C[C@@H]2C)c1 ZINC000422625200 533598566 /nfs/dbraw/zinc/59/85/66/533598566.db2.gz AXKGGWGXTYMNCJ-KKUMJFAQSA-N 1 3 319.449 2.329 20 0 DEADHO COc1cccc(NC(=O)CC[N@H+]2C[C@H](CN)[C@@H](C)C[C@@H]2C)c1 ZINC000422625200 533598571 /nfs/dbraw/zinc/59/85/71/533598571.db2.gz AXKGGWGXTYMNCJ-KKUMJFAQSA-N 1 3 319.449 2.329 20 0 DEADHO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C1 ZINC000684392724 542599280 /nfs/dbraw/zinc/59/92/80/542599280.db2.gz PMXPRIQRFQOMED-JKSUJKDBSA-N 1 3 307.438 2.069 20 0 DEADHO C[NH+](C)CC[C@H](NC(=O)c1ccc2c(c1)CNC2)C(C)(C)C ZINC000347635278 132776623 /nfs/dbraw/zinc/77/66/23/132776623.db2.gz AUNMGECXWWEDMR-INIZCTEOSA-N 1 3 303.450 2.386 20 0 DEADHO Cc1n[nH]c(C)c1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000353947411 133012956 /nfs/dbraw/zinc/01/29/56/133012956.db2.gz MMUIUVULRVQSHU-UHFFFAOYSA-N 1 3 306.454 2.103 20 0 DEADHO CC[NH+]1CCC(NC(=O)CNC(C)(C)c2ccccc2)CC1 ZINC000355945307 133057078 /nfs/dbraw/zinc/05/70/78/133057078.db2.gz QXGXTDYHGPBFAH-UHFFFAOYSA-N 1 3 303.450 2.112 20 0 DEADHO CC(C)[NH+](CCN(C)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)C(C)C ZINC000355960593 133058112 /nfs/dbraw/zinc/05/81/12/133058112.db2.gz LAKXGFJIABCTCN-NVXWUHKLSA-N 1 3 324.513 2.229 20 0 DEADHO CCN1CCC[C@H](C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000358234066 133130172 /nfs/dbraw/zinc/13/01/72/133130172.db2.gz PIZBLMKIMPMTAJ-LSDHHAIUSA-N 1 3 324.490 2.473 20 0 DEADHO CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000360049936 133159515 /nfs/dbraw/zinc/15/95/15/133159515.db2.gz HWKQFVLKCINJLP-HOTGVXAUSA-N 1 3 312.502 2.233 20 0 DEADHO CC(C)CCOCCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000362703015 133246444 /nfs/dbraw/zinc/24/64/44/133246444.db2.gz OTUURAPHZOIZSU-QZTJIDSGSA-N 1 3 311.514 2.007 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000563255294 292042531 /nfs/dbraw/zinc/04/25/31/292042531.db2.gz MPSMCONWWKZQRY-MJGOQNOKSA-N 1 3 317.477 2.132 20 0 DEADHO CC(C)(C[NH+]1CCCC1)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000563501237 292059832 /nfs/dbraw/zinc/05/98/32/292059832.db2.gz YIXMATNSJSJPTH-UHFFFAOYSA-N 1 3 316.449 2.328 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000563799299 292073498 /nfs/dbraw/zinc/07/34/98/292073498.db2.gz ORGZKUIIRKIXMH-MRXNPFEDSA-N 1 3 324.513 2.410 20 0 DEADHO CC(C)N(Cc1ccccc1)C(=O)CN1CCC(CC[NH3+])CC1 ZINC000563966555 292082205 /nfs/dbraw/zinc/08/22/05/292082205.db2.gz LCHSTPHIJJGJOO-UHFFFAOYSA-N 1 3 317.477 2.484 20 0 DEADHO CC[NH+](CC)CC1CCN(C(=O)NC[C@@H](C)N(C)C2CC2)CC1 ZINC000356363895 404477151 /nfs/dbraw/zinc/47/71/51/404477151.db2.gz ZVSODRVTYWEXIS-OAHLLOKOSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H]1CC[C@@H](C[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)O1 ZINC000249096106 145178333 /nfs/dbraw/zinc/17/83/33/145178333.db2.gz ORNSQSLPFOZOJX-KONPQCLYSA-N 1 3 310.482 2.375 20 0 DEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000251667253 145195657 /nfs/dbraw/zinc/19/56/57/145195657.db2.gz LLDKGVCYKYBEJW-OAGGEKHMSA-N 1 3 322.497 2.175 20 0 DEADHO CCC[NH2+]CCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000261682462 145216240 /nfs/dbraw/zinc/21/62/40/145216240.db2.gz QRCBEVVXBCASQV-UHFFFAOYSA-N 1 3 303.450 2.014 20 0 DEADHO C[NH+](C)C1(CNC(=O)[C@@H](CN)c2ccccc2)CCCCC1 ZINC000261834629 145231998 /nfs/dbraw/zinc/23/19/98/145231998.db2.gz BZUFEWTYENIHJS-INIZCTEOSA-N 1 3 303.450 2.110 20 0 DEADHO CCN(CC)Cc1cccc(NC(=O)[C@@]2(COC)CC[NH2+]C2)c1 ZINC000261889991 145238066 /nfs/dbraw/zinc/23/80/66/145238066.db2.gz NPBPTSXFTJXKGC-SFHVURJKSA-N 1 3 319.449 2.093 20 0 DEADHO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)CC1CC[NH2+]CC1 ZINC000262083338 145260086 /nfs/dbraw/zinc/26/00/86/145260086.db2.gz HGUXHVWCZIOMPM-HNNXBMFYSA-N 1 3 303.450 2.137 20 0 DEADHO CCc1ccc(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000262117393 145263302 /nfs/dbraw/zinc/26/33/02/145263302.db2.gz WZLMJWVFOFUEIK-QGZVFWFLSA-N 1 3 303.450 2.069 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H](N)c1ccccc1 ZINC000262351854 145278371 /nfs/dbraw/zinc/27/83/71/145278371.db2.gz VGRPETLIKJCMML-RKTXRCNFSA-N 1 3 301.434 2.066 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H](N)c1ccccc1 ZINC000262351854 145278372 /nfs/dbraw/zinc/27/83/72/145278372.db2.gz VGRPETLIKJCMML-RKTXRCNFSA-N 1 3 301.434 2.066 20 0 DEADHO Cc1c(Cl)cccc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000565279311 292151371 /nfs/dbraw/zinc/15/13/71/292151371.db2.gz MYDXLQZXBUIYPE-UHFFFAOYSA-N 1 3 311.857 2.214 20 0 DEADHO c1[nH]nc(-c2cccnc2)c1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000347024968 146181976 /nfs/dbraw/zinc/18/19/76/146181976.db2.gz RRENXDBSPWHUNF-QGZVFWFLSA-N 1 3 311.433 2.436 20 0 DEADHO CC[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000348115319 146218830 /nfs/dbraw/zinc/21/88/30/146218830.db2.gz UQUHQVZZQPOMTB-WBVHZDCISA-N 1 3 303.450 2.256 20 0 DEADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCN3CCCOCC3)CC2)C1 ZINC000349341408 146370290 /nfs/dbraw/zinc/37/02/90/146370290.db2.gz BNQKZKDZDMSFCF-IEBWSBKVSA-N 1 3 323.525 2.341 20 0 DEADHO CCC[C@@H]1C[C@H]1NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000565315449 292154808 /nfs/dbraw/zinc/15/48/08/292154808.db2.gz NXHXNOGQQPEAAU-SJLPKXTDSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)CC1 ZINC000349645519 146393146 /nfs/dbraw/zinc/39/31/46/146393146.db2.gz OGEYPOYBJDSRSX-JKSUJKDBSA-N 1 3 324.513 2.421 20 0 DEADHO Cc1cc(C)n2c(CN3CCC([C@H]4CC[NH2+]C4)CC3)cnc2n1 ZINC000357039924 147027939 /nfs/dbraw/zinc/02/79/39/147027939.db2.gz BLRZWTRFRVVEFS-INIZCTEOSA-N 1 3 313.449 2.168 20 0 DEADHO C[C@H](C(=O)NC1CCC(C)CC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357088782 147039193 /nfs/dbraw/zinc/03/91/93/147039193.db2.gz TWHIZVBUKCQHEB-AUCMRZJMSA-N 1 3 321.509 2.391 20 0 DEADHO C[C@H](C(=O)NCc1ccccc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357098295 147041338 /nfs/dbraw/zinc/04/13/38/147041338.db2.gz AKRHIALXLQUKJM-CRAIPNDOSA-N 1 3 315.461 2.013 20 0 DEADHO Cc1ccc(CNC(=O)[C@@H](C)N2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358513012 147148558 /nfs/dbraw/zinc/14/85/58/147148558.db2.gz UZQHQVKBAOXPLO-MRXNPFEDSA-N 1 3 315.461 2.075 20 0 DEADHO C[C@@H](CN(C)C)NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000358532449 147151377 /nfs/dbraw/zinc/15/13/77/147151377.db2.gz UAMFWHNAMNZBEW-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H](CN(C)C)NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000358532449 147151379 /nfs/dbraw/zinc/15/13/79/147151379.db2.gz UAMFWHNAMNZBEW-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO C[NH+](C)C1(CNC(=O)[C@@H](CN)c2ccc(F)cc2)CCCCC1 ZINC000358781493 147204152 /nfs/dbraw/zinc/20/41/52/147204152.db2.gz OJBXXMJIRCCUKO-INIZCTEOSA-N 1 3 321.440 2.249 20 0 DEADHO C[C@@H](C(=O)N1CCC2(CC[NH2+]CC2)CC1)[C@H](N)c1ccccc1 ZINC000358886720 147224592 /nfs/dbraw/zinc/22/45/92/147224592.db2.gz MLXAGGFXZPFBLY-WBVHZDCISA-N 1 3 315.461 2.315 20 0 DEADHO C[C@@H](NC(=O)[C@@H]([NH3+])C1CCC1)c1nc(C2CCCCC2)no1 ZINC000565651981 292175083 /nfs/dbraw/zinc/17/50/83/292175083.db2.gz WFZOFUUZWDFMAZ-MFKMUULPSA-N 1 3 306.410 2.422 20 0 DEADHO Cc1cc(C)c2ncc(C(=O)N[C@@H](C)CCC[NH3+])c(O)c2c1 ZINC000565715993 292177323 /nfs/dbraw/zinc/17/73/23/292177323.db2.gz XVNUFZPSWSKDAO-LBPRGKRZSA-N 1 3 301.390 2.002 20 0 DEADHO C[C@@H]1CC=CC[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000375312291 148357474 /nfs/dbraw/zinc/35/74/74/148357474.db2.gz AQDFUBOLSPBNHV-CRAIPNDOSA-N 1 3 319.493 2.264 20 0 DEADHO CC[NH+](CC)CCNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000111790261 401723922 /nfs/dbraw/zinc/72/39/22/401723922.db2.gz MUDGJETVCRWQBZ-INIZCTEOSA-N 1 3 320.481 2.148 20 0 DEADHO CCCCN1CCC([NH2+]Cc2ccc(C(=O)NC)cc2)CC1 ZINC000077279675 401809111 /nfs/dbraw/zinc/80/91/11/401809111.db2.gz RKKAIAQTRVXXOL-UHFFFAOYSA-N 1 3 303.450 2.400 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)CN1C1CC1 ZINC000128754407 401790429 /nfs/dbraw/zinc/79/04/29/401790429.db2.gz VTPVQJJVYFZZNI-OWCLPIDISA-N 1 3 322.497 2.175 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)NCCC[N@H+]2CCCC[C@H]2C)CN1C1CC1 ZINC000128754407 401790432 /nfs/dbraw/zinc/79/04/32/401790432.db2.gz VTPVQJJVYFZZNI-OWCLPIDISA-N 1 3 322.497 2.175 20 0 DEADHO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000128746501 401790458 /nfs/dbraw/zinc/79/04/58/401790458.db2.gz DFIIQPUUMHBVAX-IAGOWNOFSA-N 1 3 301.434 2.282 20 0 DEADHO CN(C[C@@H]1CCCN(C)C1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000115805602 401837556 /nfs/dbraw/zinc/83/75/56/401837556.db2.gz CCIQVDHNEVLFDQ-OAHLLOKOSA-N 1 3 324.513 2.233 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](C)N(C)C2CC2)[C@H](C)C1 ZINC000130888193 401840386 /nfs/dbraw/zinc/84/03/86/401840386.db2.gz GNKLIKKSFKNRAA-NUJGCVRESA-N 1 3 311.514 2.196 20 0 DEADHO CC(C)CC[NH+]1CCC(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000079654126 401878726 /nfs/dbraw/zinc/87/87/26/401878726.db2.gz KDAVPUJHJJCJKG-KRWDZBQOSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)CC1 ZINC000085389193 401914930 /nfs/dbraw/zinc/91/49/30/401914930.db2.gz ICXLGTSTMMMDDH-WBVHZDCISA-N 1 3 324.513 2.088 20 0 DEADHO CCN1CCN(CCCC[NH2+][C@H](C)c2cccc(CO)c2)CC1 ZINC000121204158 402020273 /nfs/dbraw/zinc/02/02/73/402020273.db2.gz UTZKZCGYJMDQDJ-QGZVFWFLSA-N 1 3 319.493 2.247 20 0 DEADHO CC[C@@H](C(=O)NC1CC[NH+](Cc2cccc(C)c2)CC1)N(C)C ZINC000152074406 402074076 /nfs/dbraw/zinc/07/40/76/402074076.db2.gz HHCHWTCYJANEAR-SFHVURJKSA-N 1 3 317.477 2.416 20 0 DEADHO CN(c1ccccc1CNC[C@@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000123025724 402106272 /nfs/dbraw/zinc/10/62/72/402106272.db2.gz ZVXOTJJIXFCBLR-SFHVURJKSA-N 1 3 317.477 2.486 20 0 DEADHO CC(C)[NH+]1CCC(NCC2(N3CCOCC3)CCCCC2)CC1 ZINC000065424529 402124770 /nfs/dbraw/zinc/12/47/70/402124770.db2.gz BZSWIGQFBTZGDB-UHFFFAOYSA-N 1 3 323.525 2.484 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000123847890 402149608 /nfs/dbraw/zinc/14/96/08/402149608.db2.gz DCIZLNLMCGAVIG-IRXDYDNUSA-N 1 3 303.450 2.280 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000123847890 402149610 /nfs/dbraw/zinc/14/96/10/402149610.db2.gz DCIZLNLMCGAVIG-IRXDYDNUSA-N 1 3 303.450 2.280 20 0 DEADHO C[C@H](CNC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C)C[NH+]1CCCCC1 ZINC000101649190 402152274 /nfs/dbraw/zinc/15/22/74/402152274.db2.gz ZWBMENPYTPUICQ-QZWWFDLISA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[C@H](C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)N(C)C ZINC000124435560 402180208 /nfs/dbraw/zinc/18/02/08/402180208.db2.gz BDXIHZHVVGQMSZ-BRWVUGGUSA-N 1 3 311.514 2.447 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cnn(C(C)C)c2)CC1 ZINC000155725970 402265884 /nfs/dbraw/zinc/26/58/84/402265884.db2.gz GMDJVZJMTZCFML-HZPDHXFCSA-N 1 3 307.486 2.141 20 0 DEADHO CCc1ccc([C@H](CNC(=O)N(C)CC[NH+](C)C)N(C)C)cc1 ZINC000176152269 402284418 /nfs/dbraw/zinc/28/44/18/402284418.db2.gz ATLFJHOSXRPHHY-KRWDZBQOSA-N 1 3 320.481 2.055 20 0 DEADHO C[C@H]1C[C@H](C[NH3+])CN1CCOc1cccc(Br)c1 ZINC000216161572 402286646 /nfs/dbraw/zinc/28/66/46/402286646.db2.gz SMSGZGOXZIPRSQ-NWDGAFQWSA-N 1 3 313.239 2.497 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC000176549968 402319178 /nfs/dbraw/zinc/31/91/78/402319178.db2.gz DPNZZQMQKLBMCY-SJORKVTESA-N 1 3 307.482 2.192 20 0 DEADHO CCCC[C@H](N)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000236757918 402380752 /nfs/dbraw/zinc/38/07/52/402380752.db2.gz OUADQJDWPRYVOW-ROUUACIJSA-N 1 3 317.477 2.484 20 0 DEADHO CCCC[C@H](N)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000236757918 402380757 /nfs/dbraw/zinc/38/07/57/402380757.db2.gz OUADQJDWPRYVOW-ROUUACIJSA-N 1 3 317.477 2.484 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CN1C1CC1 ZINC000177222801 402383358 /nfs/dbraw/zinc/38/33/58/402383358.db2.gz WPZRBTOGPHSOLX-BZUAXINKSA-N 1 3 319.493 2.382 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CN1C1CC1 ZINC000177222801 402383360 /nfs/dbraw/zinc/38/33/60/402383360.db2.gz WPZRBTOGPHSOLX-BZUAXINKSA-N 1 3 319.493 2.382 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N(C)CCN(C)C2CC2)C1 ZINC000185149484 402328382 /nfs/dbraw/zinc/32/83/82/402328382.db2.gz XPPRDBKBLMOQIV-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(C)CCN(C)C2CC2)C1 ZINC000185149484 402328386 /nfs/dbraw/zinc/32/83/86/402328386.db2.gz XPPRDBKBLMOQIV-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185194329 402333061 /nfs/dbraw/zinc/33/30/61/402333061.db2.gz YEEAONLDJJBEMY-CVEARBPZSA-N 1 3 324.513 2.090 20 0 DEADHO CCN(CC)CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000227846161 402334146 /nfs/dbraw/zinc/33/41/46/402334146.db2.gz OYQNWXJIPYILSZ-ARFHVFGLSA-N 1 3 318.527 2.442 20 0 DEADHO CC(C)O[C@@H]1C[C@H]([NH2+]CCCN2CCCN(C)CC2)C1(C)C ZINC000185220171 402335833 /nfs/dbraw/zinc/33/58/33/402335833.db2.gz CEHAJMHLURYSSC-DLBZAZTESA-N 1 3 311.514 2.196 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)N(C)C)cc1 ZINC000237142112 402396736 /nfs/dbraw/zinc/39/67/36/402396736.db2.gz JKDRXNKYGOMZAT-ZACQAIPSSA-N 1 3 303.450 2.231 20 0 DEADHO C[NH2+]C[C@H](C)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000237309757 402403883 /nfs/dbraw/zinc/40/38/83/402403883.db2.gz UGEFUKCWPFLNTR-LSDHHAIUSA-N 1 3 303.450 2.184 20 0 DEADHO C[C@@H](C(=O)NCCC[NH+]1CCCCC1)[C@H](N)c1ccccc1 ZINC000177461067 402404985 /nfs/dbraw/zinc/40/49/85/402404985.db2.gz LSDYVWMAQVMYQR-WBVHZDCISA-N 1 3 303.450 2.315 20 0 DEADHO C[C@H](C[NH3+])CNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000237540903 402411912 /nfs/dbraw/zinc/41/19/12/402411912.db2.gz QUAQLDYGJPJVNB-HZPDHXFCSA-N 1 3 317.477 2.041 20 0 DEADHO CN(C)Cc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000177544217 402414653 /nfs/dbraw/zinc/41/46/53/402414653.db2.gz JLOYVUIWRKVYAC-SJORKVTESA-N 1 3 303.450 2.351 20 0 DEADHO O=C(CC1CC[NH2+]CC1)NC[C@H](c1cccs1)N1CCCC1 ZINC000238139440 402438852 /nfs/dbraw/zinc/43/88/52/402438852.db2.gz ZTDCPPBPULKXRE-OAHLLOKOSA-N 1 3 321.490 2.391 20 0 DEADHO Cc1ccc(C(=O)NCCN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1F ZINC000177870139 402441575 /nfs/dbraw/zinc/44/15/75/402441575.db2.gz IZJFBGGPRVMHCA-GRDNDAEWSA-N 1 3 321.440 2.182 20 0 DEADHO Cc1ccc(C(=O)NCCN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1F ZINC000177870139 402441577 /nfs/dbraw/zinc/44/15/77/402441577.db2.gz IZJFBGGPRVMHCA-GRDNDAEWSA-N 1 3 321.440 2.182 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)C1 ZINC000245201976 402452172 /nfs/dbraw/zinc/45/21/72/402452172.db2.gz NWWXTFLARRRTGZ-WCXIOVBPSA-N 1 3 309.498 2.484 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)C1 ZINC000245201976 402452176 /nfs/dbraw/zinc/45/21/76/402452176.db2.gz NWWXTFLARRRTGZ-WCXIOVBPSA-N 1 3 309.498 2.484 20 0 DEADHO C[C@@H]1C[C@@H](NCCNC(=O)c2ccccc2Cl)CC[N@@H+]1C ZINC000178168448 402467100 /nfs/dbraw/zinc/46/71/00/402467100.db2.gz CRKUJQUAYBJVPL-OLZOCXBDSA-N 1 3 309.841 2.142 20 0 DEADHO C[C@@H]1C[C@@H](NCCNC(=O)c2ccccc2Cl)CC[N@H+]1C ZINC000178168448 402467103 /nfs/dbraw/zinc/46/71/03/402467103.db2.gz CRKUJQUAYBJVPL-OLZOCXBDSA-N 1 3 309.841 2.142 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)C[C@H]1CCC[NH2+]1)c1ccsc1 ZINC000164905131 402470658 /nfs/dbraw/zinc/47/06/58/402470658.db2.gz UWPAPBBNPAYYNM-CABCVRRESA-N 1 3 309.479 2.389 20 0 DEADHO C[C@H]1C[C@H](NC(=O)[C@]2(C)CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000167541714 402491578 /nfs/dbraw/zinc/49/15/78/402491578.db2.gz QDKHOPMQKLWQJU-KVSKMBFKSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)C(C)(C)C[NH3+])CCN1Cc1ccccc1 ZINC000167542261 402492031 /nfs/dbraw/zinc/49/20/31/402492031.db2.gz LNARLHFWEKZEQX-ZBFHGGJFSA-N 1 3 303.450 2.141 20 0 DEADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCCN1CCCCC1 ZINC000187380551 402497129 /nfs/dbraw/zinc/49/71/29/402497129.db2.gz WFWRECCZNHVTDM-INIZCTEOSA-N 1 3 310.486 2.036 20 0 DEADHO C[C@@H]([NH3+])[C@H]1CCN(CCCc2nc(-c3cccs3)no2)C1 ZINC000168680252 402498007 /nfs/dbraw/zinc/49/80/07/402498007.db2.gz YJFRPAFKEAXFBV-NEPJUHHUSA-N 1 3 306.435 2.400 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000178865732 402548540 /nfs/dbraw/zinc/54/85/40/402548540.db2.gz NDRZSDACZXFTQP-VQHPVUNQSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H](C)N1 ZINC000247127125 402557614 /nfs/dbraw/zinc/55/76/14/402557614.db2.gz NGWOIHVEVHCKGE-JZXOWHBKSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H](C)N1 ZINC000247127125 402557616 /nfs/dbraw/zinc/55/76/16/402557616.db2.gz NGWOIHVEVHCKGE-JZXOWHBKSA-N 1 3 315.461 2.107 20 0 DEADHO CCOc1ccc(CN2CCN(CC3CC[NH2+]CC3)CC2)cc1 ZINC000178978289 402561445 /nfs/dbraw/zinc/56/14/45/402561445.db2.gz AHWIVDHZYLNNAS-UHFFFAOYSA-N 1 3 317.477 2.203 20 0 DEADHO COc1cccc([C@H](CNC(=O)CC(C)(C)[NH3+])N2CCCC2)c1 ZINC000178661714 402522849 /nfs/dbraw/zinc/52/28/49/402522849.db2.gz CYTQETWUIVXUHL-INIZCTEOSA-N 1 3 319.449 2.076 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CCCN1CC ZINC000246333293 402525647 /nfs/dbraw/zinc/52/56/47/402525647.db2.gz ONCQMFWANYCGBD-JKSUJKDBSA-N 1 3 310.486 2.034 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1CCCN1CC ZINC000246333293 402525648 /nfs/dbraw/zinc/52/56/48/402525648.db2.gz ONCQMFWANYCGBD-JKSUJKDBSA-N 1 3 310.486 2.034 20 0 DEADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cccc(CN4CCCC4)c3)C[C@H]12 ZINC000248597536 402598070 /nfs/dbraw/zinc/59/80/70/402598070.db2.gz IKSIPACQMHCERK-FGTMMUONSA-N 1 3 313.445 2.092 20 0 DEADHO CC[N@H+](C)C[C@H](O)CN(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000566416030 292236807 /nfs/dbraw/zinc/23/68/07/292236807.db2.gz LWRDSNHQKNZBFK-FGTMMUONSA-N 1 3 324.440 2.290 20 0 DEADHO CC[N@@H+](C)C[C@H](O)CN(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000566416030 292236808 /nfs/dbraw/zinc/23/68/08/292236808.db2.gz LWRDSNHQKNZBFK-FGTMMUONSA-N 1 3 324.440 2.290 20 0 DEADHO C[C@H](C[NH+]1CCC(C(=O)NCCN(C)C)CC1)c1ccccc1 ZINC000172013312 402637017 /nfs/dbraw/zinc/63/70/17/402637017.db2.gz NSNOEQAFEMPTEN-MRXNPFEDSA-N 1 3 317.477 2.180 20 0 DEADHO CCO[C@@H]1C[C@H]([NH2+]CCCN2CCCN(C)CC2)C12CCCC2 ZINC000181705410 402654849 /nfs/dbraw/zinc/65/48/49/402654849.db2.gz AYVLZRJOXBYEMT-ZWKOTPCHSA-N 1 3 323.525 2.341 20 0 DEADHO C[C@H](CCNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)[NH+]1CCCCC1 ZINC000182706500 402710305 /nfs/dbraw/zinc/71/03/05/402710305.db2.gz YFHSDLWPEOEOFS-ZACQAIPSSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000192101278 402711240 /nfs/dbraw/zinc/71/12/40/402711240.db2.gz MAJCKSNTZJCXGD-UXLLHSPISA-N 1 3 303.450 2.141 20 0 DEADHO C[C@@H]([NH3+])[C@@H](C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000192103193 402711314 /nfs/dbraw/zinc/71/13/14/402711314.db2.gz LIPFRDVJLLNOIU-MCIONIFRSA-N 1 3 309.479 2.060 20 0 DEADHO C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000261610529 402714415 /nfs/dbraw/zinc/71/44/15/402714415.db2.gz AYVLGQUXVFGBNK-BPQIPLTHSA-N 1 3 315.461 2.328 20 0 DEADHO COC(=O)C(C)(C)CC[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000261780274 402717077 /nfs/dbraw/zinc/71/70/77/402717077.db2.gz FINYCUXFDAKYNK-CVEARBPZSA-N 1 3 304.434 2.250 20 0 DEADHO COC(=O)C(C)(C)CC[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000261780274 402717080 /nfs/dbraw/zinc/71/70/80/402717080.db2.gz FINYCUXFDAKYNK-CVEARBPZSA-N 1 3 304.434 2.250 20 0 DEADHO CN(C)Cc1ccccc1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000261766904 402717233 /nfs/dbraw/zinc/71/72/33/402717233.db2.gz QKNPJBCZGYFFOJ-QGTPRVQTSA-N 1 3 315.461 2.285 20 0 DEADHO Cc1c([C@H](C)NCCN2CCC([NH+](C)C)CC2)cnn1C(C)C ZINC000191328058 402661068 /nfs/dbraw/zinc/66/10/68/402661068.db2.gz JZAPELGTYWSFLD-HNNXBMFYSA-N 1 3 321.513 2.449 20 0 DEADHO CCC[C@@](C)([NH3+])C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000262570797 402727428 /nfs/dbraw/zinc/72/74/28/402727428.db2.gz MYEXGHQLRFKFKO-RDTXWAMCSA-N 1 3 318.465 2.241 20 0 DEADHO CCC[C@@H](N)C(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000263018958 402741096 /nfs/dbraw/zinc/74/10/96/402741096.db2.gz ZSYYFZWRZPFMBO-HUUCEWRRSA-N 1 3 321.490 2.346 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000174746962 402755088 /nfs/dbraw/zinc/75/50/88/402755088.db2.gz KNHBJQOULHVMCX-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)C1 ZINC000174757611 402755778 /nfs/dbraw/zinc/75/57/78/402755778.db2.gz LEIMSHMXBWDXDX-YVSFHVDLSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C[C@H](N)c2ccccc2)C1 ZINC000263308516 402756782 /nfs/dbraw/zinc/75/67/82/402756782.db2.gz FTTMIMMAQAVAGU-WBVHZDCISA-N 1 3 303.450 2.171 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C[C@H](N)c2ccccc2)C1 ZINC000263308516 402756785 /nfs/dbraw/zinc/75/67/85/402756785.db2.gz FTTMIMMAQAVAGU-WBVHZDCISA-N 1 3 303.450 2.171 20 0 DEADHO CCCN(C(=O)CC[NH2+]C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000262331730 402724602 /nfs/dbraw/zinc/72/46/02/402724602.db2.gz GVNGAOLEXPADFC-SFHVURJKSA-N 1 3 317.477 2.499 20 0 DEADHO C[C@@H]1CCCCN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000176031836 402849099 /nfs/dbraw/zinc/84/90/99/402849099.db2.gz DPJIKQNPYMIOOT-WBVHZDCISA-N 1 3 303.450 2.280 20 0 DEADHO O[C@@H](CNCCCc1c(F)cccc1Cl)C[NH+]1CCCC1 ZINC000278895088 402883053 /nfs/dbraw/zinc/88/30/53/402883053.db2.gz QEHZHZKIDMQLHS-ZDUSSCGKSA-N 1 3 314.832 2.458 20 0 DEADHO CC(C)NC(=O)CC[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272374698 402929578 /nfs/dbraw/zinc/92/95/78/402929578.db2.gz BBHBAVRJYMXRBR-FUHWJXTLSA-N 1 3 317.477 2.401 20 0 DEADHO CC(C)NC(=O)CCN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272374698 402929579 /nfs/dbraw/zinc/92/95/79/402929579.db2.gz BBHBAVRJYMXRBR-FUHWJXTLSA-N 1 3 317.477 2.401 20 0 DEADHO CC(C)NC(=O)CCN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272374698 402929580 /nfs/dbraw/zinc/92/95/80/402929580.db2.gz BBHBAVRJYMXRBR-FUHWJXTLSA-N 1 3 317.477 2.401 20 0 DEADHO Cn1cc(CC[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cn1 ZINC000280357797 402991766 /nfs/dbraw/zinc/99/17/66/402991766.db2.gz IQZODTLQUNMKQM-KDURUIRLSA-N 1 3 310.445 2.026 20 0 DEADHO Cn1cc(CC[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cn1 ZINC000280357797 402991767 /nfs/dbraw/zinc/99/17/67/402991767.db2.gz IQZODTLQUNMKQM-KDURUIRLSA-N 1 3 310.445 2.026 20 0 DEADHO CN1CCC(CC(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000273223188 402984478 /nfs/dbraw/zinc/98/44/78/402984478.db2.gz NIODAZAKELPLBM-UHFFFAOYSA-N 1 3 303.450 2.096 20 0 DEADHO CC[NH+](CC)CCCNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000268028905 403042433 /nfs/dbraw/zinc/04/24/33/403042433.db2.gz MXJOSPRURZOWPD-UHFFFAOYSA-N 1 3 324.469 2.085 20 0 DEADHO C[C@H](NC1CC[NH+](C2CC2)CC1)c1ccc2c(c1)CC(=O)N2C ZINC000268779272 403113243 /nfs/dbraw/zinc/11/32/43/403113243.db2.gz XAJKOZXLIQNQIH-ZDUSSCGKSA-N 1 3 313.445 2.483 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000350947863 404494554 /nfs/dbraw/zinc/49/45/54/404494554.db2.gz GLROCJPVCVKWSG-KRWDZBQOSA-N 1 3 324.513 2.236 20 0 DEADHO CN1CCC(O)(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000269071820 403123433 /nfs/dbraw/zinc/12/34/33/403123433.db2.gz XGYWZVDYXIXVTC-INIZCTEOSA-N 1 3 316.445 2.479 20 0 DEADHO O=C(CC[NH2+]C1CC1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000566748009 292266099 /nfs/dbraw/zinc/26/60/99/292266099.db2.gz KVQCPGPPYMPNRM-KRWDZBQOSA-N 1 3 301.434 2.082 20 0 DEADHO OC[C@H](Cc1c[nH]c2ccccc12)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000269939033 403177294 /nfs/dbraw/zinc/17/72/94/403177294.db2.gz FXEGLSAKKOKXJD-ULQDDVLXSA-N 1 3 313.445 2.288 20 0 DEADHO OC[C@H](Cc1c[nH]c2ccccc12)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000269939033 403177296 /nfs/dbraw/zinc/17/72/96/403177296.db2.gz FXEGLSAKKOKXJD-ULQDDVLXSA-N 1 3 313.445 2.288 20 0 DEADHO CN(C)C(=O)CCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285435347 403296012 /nfs/dbraw/zinc/29/60/12/403296012.db2.gz FKDSPYSCVPYMHZ-LJQANCHMSA-N 1 3 315.461 2.063 20 0 DEADHO CN(C)C(=O)CCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285435347 403296013 /nfs/dbraw/zinc/29/60/13/403296013.db2.gz FKDSPYSCVPYMHZ-LJQANCHMSA-N 1 3 315.461 2.063 20 0 DEADHO CN(c1ccccc1CN1CCC[C@@H](O)C1)C1CC[NH+](C)CC1 ZINC000271033491 403256144 /nfs/dbraw/zinc/25/61/44/403256144.db2.gz ZXVSBHKHILNDBT-GOSISDBHSA-N 1 3 317.477 2.174 20 0 DEADHO Cc1ccc(C(=O)NCCNC2CC[NH+](C3CC3)CC2)cc1F ZINC000298269846 403346651 /nfs/dbraw/zinc/34/66/51/403346651.db2.gz GISKNKWDBBWJNS-UHFFFAOYSA-N 1 3 319.424 2.080 20 0 DEADHO CN(C)CCNC(=O)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC1(C)C ZINC000342720497 403321214 /nfs/dbraw/zinc/32/12/14/403321214.db2.gz CCIGGEPLSHVWND-IAGOWNOFSA-N 1 3 317.477 2.054 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000342764083 403340419 /nfs/dbraw/zinc/34/04/19/403340419.db2.gz FSGGMMBYADOOHH-RRFJBIMHSA-N 1 3 321.490 2.389 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000342764848 403341299 /nfs/dbraw/zinc/34/12/99/403341299.db2.gz KHECOGCSLRXYDA-CGTJXYLNSA-N 1 3 315.461 2.155 20 0 DEADHO Cn1cc2c(n1)CCC[C@@H]2[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000331542964 403412198 /nfs/dbraw/zinc/41/21/98/403412198.db2.gz IFYQBSHNCAIQFB-ZFWWWQNUSA-N 1 3 319.453 2.024 20 0 DEADHO C[C@H](CNC(=O)NCCN1CCC(C)CC1)C[NH+]1CCCCC1 ZINC000339740070 403435250 /nfs/dbraw/zinc/43/52/50/403435250.db2.gz GKYUBEHHHAGFHF-QGZVFWFLSA-N 1 3 324.513 2.140 20 0 DEADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H]1CCCN(C)[C@@H]1C)CC2 ZINC000345759847 403471951 /nfs/dbraw/zinc/47/19/51/403471951.db2.gz UJGGXNIJAHOPED-WCXIOVBPSA-N 1 3 322.497 2.126 20 0 DEADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H]1CCCN(C)[C@@H]1C)CC2 ZINC000345759847 403471952 /nfs/dbraw/zinc/47/19/52/403471952.db2.gz UJGGXNIJAHOPED-WCXIOVBPSA-N 1 3 322.497 2.126 20 0 DEADHO C[C@H](CNC(=O)c1cccc(CN2CCCC2)c1)C[NH+](C)C ZINC000293700773 403541740 /nfs/dbraw/zinc/54/17/40/403541740.db2.gz IKTNBWOXAGVLAG-OAHLLOKOSA-N 1 3 303.450 2.210 20 0 DEADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CCOC2(C)C)cc1 ZINC000293817085 403571629 /nfs/dbraw/zinc/57/16/29/403571629.db2.gz RVVXCSJIKADAOX-QGZVFWFLSA-N 1 3 306.450 2.327 20 0 DEADHO CN(c1ccccc1CN1CCC[C@H]([NH3+])C1)C1CCN(C)CC1 ZINC000346094205 403574146 /nfs/dbraw/zinc/57/41/46/403574146.db2.gz NVHGALXJNXXRMR-KRWDZBQOSA-N 1 3 316.493 2.140 20 0 DEADHO C[C@H]1C[C@H](NC(=O)NCC2([NH+](C)C)CCCCC2)CCN1C ZINC000340899017 403690361 /nfs/dbraw/zinc/69/03/61/403690361.db2.gz KGIJXXMAKURFGE-LSDHHAIUSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1CCC[C@@](CNC(=O)NCC2=CCN(C)CC2)([NH+](C)C)C1 ZINC000343731749 403710485 /nfs/dbraw/zinc/71/04/85/403710485.db2.gz SBLOQRJKSXRTAG-CRAIPNDOSA-N 1 3 322.497 2.058 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000333252672 403707111 /nfs/dbraw/zinc/70/71/11/403707111.db2.gz HCFQGQPLSFTBKT-DJIMGWMZSA-N 1 3 316.449 2.271 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000343872866 403770296 /nfs/dbraw/zinc/77/02/96/403770296.db2.gz MRCJSXNCDHSQCL-INMHGKMJSA-N 1 3 303.450 2.011 20 0 DEADHO C[C@@H]1[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CCCN1C ZINC000343752974 403719772 /nfs/dbraw/zinc/71/97/72/403719772.db2.gz HQVFYGUTJHIBJW-KFWWJZLASA-N 1 3 312.502 2.135 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000340990769 403725066 /nfs/dbraw/zinc/72/50/66/403725066.db2.gz VEXLFSMLZIPTTA-ZACQAIPSSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000340990769 403725073 /nfs/dbraw/zinc/72/50/73/403725073.db2.gz VEXLFSMLZIPTTA-ZACQAIPSSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1ccc2c(c1)CNC2 ZINC000347500156 403731492 /nfs/dbraw/zinc/73/14/92/403731492.db2.gz GXRXNEKUJUMVJZ-ZIAGYGMSSA-N 1 3 301.434 2.283 20 0 DEADHO C[C@H]([NH2+]C1CC1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000294763033 403732264 /nfs/dbraw/zinc/73/22/64/403732264.db2.gz LVARDVGBCKTAGT-YOEHRIQHSA-N 1 3 301.434 2.080 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000295008788 403740091 /nfs/dbraw/zinc/74/00/91/403740091.db2.gz LZCTXUYTISHLEG-BZSNNMDCSA-N 1 3 311.429 2.344 20 0 DEADHO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000333404074 403744765 /nfs/dbraw/zinc/74/47/65/403744765.db2.gz ZAFJIZIOMPHYAU-SUMWQHHRSA-N 1 3 316.449 2.183 20 0 DEADHO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000333404074 403744767 /nfs/dbraw/zinc/74/47/67/403744767.db2.gz ZAFJIZIOMPHYAU-SUMWQHHRSA-N 1 3 316.449 2.183 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000303427593 403755288 /nfs/dbraw/zinc/75/52/88/403755288.db2.gz AZRCVBPBJZLJDR-IXDOHACOSA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000303427593 403755289 /nfs/dbraw/zinc/75/52/89/403755289.db2.gz AZRCVBPBJZLJDR-IXDOHACOSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)CCN1C ZINC000341208409 403834135 /nfs/dbraw/zinc/83/41/35/403834135.db2.gz USLKQFAWHDGPAI-GDBMZVCRSA-N 1 3 310.486 2.081 20 0 DEADHO C[C@H](CNC(=O)N(C)CCC[NH+]1CCCC1)N1CCC[C@@H](C)C1 ZINC000347637139 403786354 /nfs/dbraw/zinc/78/63/54/403786354.db2.gz RSHFASNOOPNZOM-IAGOWNOFSA-N 1 3 324.513 2.234 20 0 DEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)CNC3)[C@H](C)C1 ZINC000347660607 403795265 /nfs/dbraw/zinc/79/52/65/403795265.db2.gz ZWBOSUFVHWFFJM-CXAGYDPISA-N 1 3 301.434 2.092 20 0 DEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)CNC3)[C@H](C)C1 ZINC000347660607 403795268 /nfs/dbraw/zinc/79/52/68/403795268.db2.gz ZWBOSUFVHWFFJM-CXAGYDPISA-N 1 3 301.434 2.092 20 0 DEADHO C[C@@H](CNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC000341304561 403897049 /nfs/dbraw/zinc/89/70/49/403897049.db2.gz VEDOYJXTYBMOJU-AESZEHBQSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@@H](CNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[N@H+]1CCCC[C@@H]1C ZINC000341304561 403897059 /nfs/dbraw/zinc/89/70/59/403897059.db2.gz VEDOYJXTYBMOJU-AESZEHBQSA-N 1 3 322.497 2.031 20 0 DEADHO CC[C@@H]([NH3+])CNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000295302870 403843305 /nfs/dbraw/zinc/84/33/05/403843305.db2.gz VFRSSHQIURVEAM-CRAIPNDOSA-N 1 3 317.477 2.183 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000295338790 403865269 /nfs/dbraw/zinc/86/52/69/403865269.db2.gz ZZHXCFNMPDQEQH-IKGGRYGDSA-N 1 3 303.450 2.314 20 0 DEADHO [NH3+]C[C@H]1CCCN1C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000333829466 403875836 /nfs/dbraw/zinc/87/58/36/403875836.db2.gz SNYHLUPDOSKNPG-MRXNPFEDSA-N 1 3 322.497 2.165 20 0 DEADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@@H](C)CCN2)CC1 ZINC000336859396 403930355 /nfs/dbraw/zinc/93/03/55/403930355.db2.gz HEVPBCXVSGVDRJ-RDJZCZTQSA-N 1 3 309.498 2.345 20 0 DEADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@@H](C)CCN2)CC1 ZINC000336859396 403930358 /nfs/dbraw/zinc/93/03/58/403930358.db2.gz HEVPBCXVSGVDRJ-RDJZCZTQSA-N 1 3 309.498 2.345 20 0 DEADHO CCN1C[C@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)[C@@H](C)C1 ZINC000344154571 403944474 /nfs/dbraw/zinc/94/44/74/403944474.db2.gz PARLSBVMIFKOAO-IHPCNDPISA-N 1 3 315.505 2.481 20 0 DEADHO CC(C)N1CCN(CCC[NH2+][C@H]2CCC[C@@H]2OC(F)F)CC1 ZINC000348521482 404075718 /nfs/dbraw/zinc/07/57/18/404075718.db2.gz QGAMLJVMNYWFRK-GJZGRUSLSA-N 1 3 319.440 2.152 20 0 DEADHO C[C@@H](CC(N)=O)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000290200233 404079183 /nfs/dbraw/zinc/07/91/83/404079183.db2.gz PBBDZRRRAVHRIW-DOTOQJQBSA-N 1 3 303.450 2.142 20 0 DEADHO C[C@@H](CC(N)=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000290200233 404079191 /nfs/dbraw/zinc/07/91/91/404079191.db2.gz PBBDZRRRAVHRIW-DOTOQJQBSA-N 1 3 303.450 2.142 20 0 DEADHO C[C@@H](CC(N)=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290200233 404079197 /nfs/dbraw/zinc/07/91/97/404079197.db2.gz PBBDZRRRAVHRIW-DOTOQJQBSA-N 1 3 303.450 2.142 20 0 DEADHO C[C@@H](C(=O)N1CCC[C@H]1C[NH+]1CCCC1)N1[C@H](C)CC[C@@H]1C ZINC000412050562 404091779 /nfs/dbraw/zinc/09/17/79/404091779.db2.gz YTIRFVDWVLPOEO-YVSFHVDLSA-N 1 3 307.482 2.335 20 0 DEADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000290092731 404038246 /nfs/dbraw/zinc/03/82/46/404038246.db2.gz WYMYWWRKSNQQSM-ZWKOTPCHSA-N 1 3 315.461 2.155 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCCC[C@H]2C[C@H](C)O)CC1 ZINC000337459104 404039509 /nfs/dbraw/zinc/03/95/09/404039509.db2.gz JJUSYLWYRLCQML-ROUUACIJSA-N 1 3 311.514 2.028 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCCC[C@H]2C[C@H](C)O)CC1 ZINC000337459104 404039513 /nfs/dbraw/zinc/03/95/13/404039513.db2.gz JJUSYLWYRLCQML-ROUUACIJSA-N 1 3 311.514 2.028 20 0 DEADHO CC1CC[NH+](C[C@H](O)CNC[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000348262351 404055152 /nfs/dbraw/zinc/05/51/52/404055152.db2.gz QVTYWEWDOKYGHO-QRVBRYPASA-N 1 3 302.462 2.473 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000349114536 404124211 /nfs/dbraw/zinc/12/42/11/404124211.db2.gz ALKWSBMCRLAUBW-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO Cc1ccccc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000369766437 404222033 /nfs/dbraw/zinc/22/20/33/404222033.db2.gz LRNLPSKVAMJBQP-HKUYNNGSSA-N 1 3 301.478 2.453 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NCC1([NH+](C)C)CCCC1 ZINC000349788089 404200284 /nfs/dbraw/zinc/20/02/84/404200284.db2.gz WHJSXJTVCOHDJQ-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO Cc1cnn(CC[N@@H+](C)CC2CCN(c3ccncc3)CC2)c1 ZINC000341925041 404259707 /nfs/dbraw/zinc/25/97/07/404259707.db2.gz SRFMWBGDMLVUJX-UHFFFAOYSA-N 1 3 313.449 2.435 20 0 DEADHO Cc1cnn(CC[N@H+](C)CC2CCN(c3ccncc3)CC2)c1 ZINC000341925041 404259709 /nfs/dbraw/zinc/25/97/09/404259709.db2.gz SRFMWBGDMLVUJX-UHFFFAOYSA-N 1 3 313.449 2.435 20 0 DEADHO C[C@@H](NC1CC1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000296476719 404266301 /nfs/dbraw/zinc/26/63/01/404266301.db2.gz PTDIMPHUECZSLE-OAHLLOKOSA-N 1 3 315.461 2.155 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)CC1 ZINC000344621387 404267048 /nfs/dbraw/zinc/26/70/48/404267048.db2.gz SABHCYYIUZSQEX-HZPDHXFCSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H](CC(N)=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000341960524 404279502 /nfs/dbraw/zinc/27/95/02/404279502.db2.gz HOFMHBKVLXCLRZ-OAHLLOKOSA-N 1 3 303.450 2.272 20 0 DEADHO C[C@H](CC[NH3+])NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000349983118 404283122 /nfs/dbraw/zinc/28/31/22/404283122.db2.gz APDAZBONQMTXPK-HZPDHXFCSA-N 1 3 317.477 2.183 20 0 DEADHO COCCOc1ccccc1CN1CCC(C[NH+](C)C)CC1 ZINC000350145686 404331728 /nfs/dbraw/zinc/33/17/28/404331728.db2.gz XZOSNJMGIBNMSE-UHFFFAOYSA-N 1 3 306.450 2.485 20 0 DEADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC(C)(C)OCCO)CC1 ZINC000352478130 404399021 /nfs/dbraw/zinc/39/90/21/404399021.db2.gz SODWSMOZQNCPMX-RDJZCZTQSA-N 1 3 312.498 2.407 20 0 DEADHO C[C@H]1CCCC[C@@H]1N1CCC([NH2+]CC(C)(C)OCCO)CC1 ZINC000352478130 404399022 /nfs/dbraw/zinc/39/90/22/404399022.db2.gz SODWSMOZQNCPMX-RDJZCZTQSA-N 1 3 312.498 2.407 20 0 DEADHO [NH3+][C@@H]1CCC[C@H]2CN(CCOCCOc3ccccc3)C[C@H]21 ZINC000342151322 404404627 /nfs/dbraw/zinc/40/46/27/404404627.db2.gz XQDXTCDJBZZLDB-CGTJXYLNSA-N 1 3 304.434 2.141 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@]3(C2)CCCN(C)C3)CC1 ZINC000356258518 404412471 /nfs/dbraw/zinc/41/24/71/404412471.db2.gz PBGWGQWHYRXKJL-GOSISDBHSA-N 1 3 307.482 2.051 20 0 DEADHO COc1cc2[nH+]ccc(N3CCN(C)C[C@H]3C)c2cc1OC ZINC000413134110 404416636 /nfs/dbraw/zinc/41/66/36/404416636.db2.gz KVEGVNCVPPVBHI-GFCCVEGCSA-N 1 3 301.390 2.392 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)CC1CC[NH+](C)CC1 ZINC000291611213 404448029 /nfs/dbraw/zinc/44/80/29/404448029.db2.gz GESFKMOWMYMISH-MRXNPFEDSA-N 1 3 317.477 2.355 20 0 DEADHO CN(CCNC1CC[NH+](C2CC2)CC1)Cc1ccc(F)cc1 ZINC000297297523 404542234 /nfs/dbraw/zinc/54/22/34/404542234.db2.gz AWLRKGHFNOZHKP-UHFFFAOYSA-N 1 3 305.441 2.474 20 0 DEADHO O=C(CC[C@H]1CCC[NH2+]1)N1CCCN(Cc2ccccc2)CC1 ZINC000291946727 404594460 /nfs/dbraw/zinc/59/44/60/404594460.db2.gz VASFPFURZMDVEZ-GOSISDBHSA-N 1 3 315.461 2.253 20 0 DEADHO Cc1ccc([C@H](C)[N@H+](C)C[C@H]2CCCN(C(=O)CN)C2)c(C)c1 ZINC000414670630 404704330 /nfs/dbraw/zinc/70/43/30/404704330.db2.gz DIHXOHVKDVQONF-DLBZAZTESA-N 1 3 317.477 2.494 20 0 DEADHO Cc1ccc([C@H](C)[N@@H+](C)C[C@H]2CCCN(C(=O)CN)C2)c(C)c1 ZINC000414670630 404704333 /nfs/dbraw/zinc/70/43/33/404704333.db2.gz DIHXOHVKDVQONF-DLBZAZTESA-N 1 3 317.477 2.494 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC000414673809 404705261 /nfs/dbraw/zinc/70/52/61/404705261.db2.gz CWJCHHNXSPKWRI-YOEHRIQHSA-N 1 3 319.424 2.160 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC000414673809 404705265 /nfs/dbraw/zinc/70/52/65/404705265.db2.gz CWJCHHNXSPKWRI-YOEHRIQHSA-N 1 3 319.424 2.160 20 0 DEADHO C[C@H]1C[C@H](CN2CCN(C(=O)CCC3CCCC3)CC2)CC[NH2+]1 ZINC000414676455 404705934 /nfs/dbraw/zinc/70/59/34/404705934.db2.gz NKSJMRYCLMNBFF-FUHWJXTLSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H]1C[C@H](CN2CCN(c3ccc(Cl)cn3)CC2)CC[NH2+]1 ZINC000414680568 404707255 /nfs/dbraw/zinc/70/72/55/404707255.db2.gz UQTCXZRPGRPEDC-UONOGXRCSA-N 1 3 308.857 2.245 20 0 DEADHO [NH3+]C[C@H]1CN(Cc2ccc3ncccc3c2)CC12CCOCC2 ZINC000414775994 404731298 /nfs/dbraw/zinc/73/12/98/404731298.db2.gz CSBNNMJHHFBZBW-KRWDZBQOSA-N 1 3 311.429 2.422 20 0 DEADHO Clc1cccc(CNCCCN2CC[NH2+]CC2)c1Cl ZINC000414775460 404731704 /nfs/dbraw/zinc/73/17/04/404731704.db2.gz CSCBHVVYCYJKFN-UHFFFAOYSA-N 1 3 302.249 2.378 20 0 DEADHO CCN(C)c1ccc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000414789254 404735949 /nfs/dbraw/zinc/73/59/49/404735949.db2.gz YFRKMSWKCFFTDW-IAGOWNOFSA-N 1 3 302.466 2.359 20 0 DEADHO CN1CCC(CC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000365876608 404737471 /nfs/dbraw/zinc/73/74/71/404737471.db2.gz DIUKJWABDRQNEW-AEFFLSMTSA-N 1 3 319.493 2.194 20 0 DEADHO CN1CCC(CC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000365876608 404737473 /nfs/dbraw/zinc/73/74/73/404737473.db2.gz DIUKJWABDRQNEW-AEFFLSMTSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@H](CC(=O)NCCc1ccccc1)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414858385 404750216 /nfs/dbraw/zinc/75/02/16/404750216.db2.gz RSJWJRZGPIUYMJ-SOLBZPMBSA-N 1 3 317.477 2.102 20 0 DEADHO CNCCC[NH2+][C@@H](C)CCCCN1C(=O)c2ccccc2C1=O ZINC000414860622 404751173 /nfs/dbraw/zinc/75/11/73/404751173.db2.gz PWTPGADEUNTILT-AWEZNQCLSA-N 1 3 317.433 2.041 20 0 DEADHO C[C@H](C[NH3+])CN[C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000414872002 404754201 /nfs/dbraw/zinc/75/42/01/404754201.db2.gz DWJNKCAATAPISJ-CHWSQXEVSA-N 1 3 311.857 2.261 20 0 DEADHO C[C@H](CN)C[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000414872002 404754205 /nfs/dbraw/zinc/75/42/05/404754205.db2.gz DWJNKCAATAPISJ-CHWSQXEVSA-N 1 3 311.857 2.261 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000358240127 404757490 /nfs/dbraw/zinc/75/74/90/404757490.db2.gz SYWOZEWIOCIAHQ-MRXNPFEDSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@H]1C[C@@H](CN2CCN(CCOc3ccccc3)CC2)CC[NH2+]1 ZINC000414682501 404708085 /nfs/dbraw/zinc/70/80/85/404708085.db2.gz RHKVBPJBSUGYIC-ROUUACIJSA-N 1 3 317.477 2.071 20 0 DEADHO C[C@@H]1C[C@H](CN2CCN(c3cccc(F)c3F)CC2)CC[NH2+]1 ZINC000414689160 404709076 /nfs/dbraw/zinc/70/90/76/404709076.db2.gz FIDQXMVRCSOPHM-ZIAGYGMSSA-N 1 3 309.404 2.475 20 0 DEADHO C[C@H]1C[C@H](CN2CCN(CC(F)(F)F)CC2(C)C)CC[NH2+]1 ZINC000414707397 404713793 /nfs/dbraw/zinc/71/37/93/404713793.db2.gz HUTCEURFHCQICX-QWHCGFSZSA-N 1 3 307.404 2.333 20 0 DEADHO C[C@H]1C[C@H](CNC(C)(C)c2cn(-c3ccccc3)nn2)CC[NH2+]1 ZINC000414713811 404715164 /nfs/dbraw/zinc/71/51/64/404715164.db2.gz UKWSUNFNWWCXRM-LSDHHAIUSA-N 1 3 313.449 2.480 20 0 DEADHO CC(C)(C)[C@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414717188 404715875 /nfs/dbraw/zinc/71/58/75/404715875.db2.gz XVIHKKMXYVDZNX-HOTGVXAUSA-N 1 3 309.498 2.332 20 0 DEADHO CC(C)(C)[C@H]1CCC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414717188 404715879 /nfs/dbraw/zinc/71/58/79/404715879.db2.gz XVIHKKMXYVDZNX-HOTGVXAUSA-N 1 3 309.498 2.332 20 0 DEADHO CN1CC=C(C[NH2+]C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000356896612 404719848 /nfs/dbraw/zinc/71/98/48/404719848.db2.gz LPBHAOGOTZSAKN-UHFFFAOYSA-N 1 3 305.388 2.255 20 0 DEADHO Cc1nc(CN(C)[C@H]2CCC[N@@H+](C[C@H](N)CC(C)C)CC2)no1 ZINC000414755392 404725157 /nfs/dbraw/zinc/72/51/57/404725157.db2.gz HLKXIOBCVKMIIQ-CVEARBPZSA-N 1 3 323.485 2.038 20 0 DEADHO Cc1nc(CN(C)[C@H]2CCC[N@H+](C[C@H](N)CC(C)C)CC2)no1 ZINC000414755392 404725160 /nfs/dbraw/zinc/72/51/60/404725160.db2.gz HLKXIOBCVKMIIQ-CVEARBPZSA-N 1 3 323.485 2.038 20 0 DEADHO CN(CC[NH2+]C(C)(C)C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000414761731 404726645 /nfs/dbraw/zinc/72/66/45/404726645.db2.gz UPKRXDJJCJIHQM-IRXDYDNUSA-N 1 3 304.482 2.394 20 0 DEADHO COC[C@]1(C[NH2+][C@@H](C)CCc2ccc(OC)c(O)c2)CCCN1 ZINC000414958629 404776233 /nfs/dbraw/zinc/77/62/33/404776233.db2.gz RHHFEBNPJFDMKS-KBXCAEBGSA-N 1 3 322.449 2.080 20 0 DEADHO COc1cc(OC)c(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)c(OC)c1 ZINC000415004728 404786117 /nfs/dbraw/zinc/78/61/17/404786117.db2.gz IFQOPVFCTFAVIH-GOEBONIOSA-N 1 3 320.433 2.190 20 0 DEADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@H](Cc1ccccc1)N(C)C ZINC000359368511 404791290 /nfs/dbraw/zinc/79/12/90/404791290.db2.gz GKEWMXVDONSXNL-ZAWLATJESA-N 1 3 303.494 2.478 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@H](Cc1ccccc1)N(C)C ZINC000359368511 404791294 /nfs/dbraw/zinc/79/12/94/404791294.db2.gz GKEWMXVDONSXNL-ZAWLATJESA-N 1 3 303.494 2.478 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H](Cc1ccccc1)N(C)C ZINC000359368511 404791297 /nfs/dbraw/zinc/79/12/97/404791297.db2.gz GKEWMXVDONSXNL-ZAWLATJESA-N 1 3 303.494 2.478 20 0 DEADHO C[C@@H](Cn1cc(Br)cn1)N[C@@H](C[NH3+])C1CCCC1 ZINC000415073847 404801095 /nfs/dbraw/zinc/80/10/95/404801095.db2.gz ZXWROVRHHDZDGG-GWCFXTLKSA-N 1 3 315.259 2.141 20 0 DEADHO CSc1cc(C)ccc1C[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000415079219 404802426 /nfs/dbraw/zinc/80/24/26/404802426.db2.gz HPOZIVDIHSHACV-CQSZACIVSA-N 1 3 321.490 2.004 20 0 DEADHO CCN1CCN(c2cccc(NC[C@H]3CCC[NH2+]C3)c2)CC1 ZINC000415101192 404808310 /nfs/dbraw/zinc/80/83/10/404808310.db2.gz HFKYDWPBUZGTEE-INIZCTEOSA-N 1 3 302.466 2.240 20 0 DEADHO Cc1ccc(C[C@H](CO)N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000415108300 404810249 /nfs/dbraw/zinc/81/02/49/404810249.db2.gz PVLLNVCXOGJMHY-FCGDIQPGSA-N 1 3 302.462 2.409 20 0 DEADHO CC(=O)N1CC[C@@H]([NH2+]CC2=CCN(C)CC2)c2ccccc2C1 ZINC000376179520 404814451 /nfs/dbraw/zinc/81/44/51/404814451.db2.gz BAMPKQUWHKIHTK-LJQANCHMSA-N 1 3 313.445 2.331 20 0 DEADHO CC[NH+](CC)Cc1ccccc1CNC(=O)C(N)C(F)(F)F ZINC000353425153 404827966 /nfs/dbraw/zinc/82/79/66/404827966.db2.gz JBLYWGIAUKGWTC-ZDUSSCGKSA-N 1 3 317.355 2.034 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414951272 404774678 /nfs/dbraw/zinc/77/46/78/404774678.db2.gz PMPKJTQKKIVMTA-KCQAQPDRSA-N 1 3 305.422 2.142 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCN[C@@H](C)C2)cc1 ZINC000414951272 404774679 /nfs/dbraw/zinc/77/46/79/404774679.db2.gz PMPKJTQKKIVMTA-KCQAQPDRSA-N 1 3 305.422 2.142 20 0 DEADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000434352939 404885520 /nfs/dbraw/zinc/88/55/20/404885520.db2.gz QTNVTFSWQDKZFT-KRWDZBQOSA-N 1 3 322.497 2.175 20 0 DEADHO O=C(N1CCC[C@@H]([NH+]2CCCC2)CC1)C12CCCN1CCC2 ZINC000377953645 404853246 /nfs/dbraw/zinc/85/32/46/404853246.db2.gz KNIHGPAZZJHMDO-MRXNPFEDSA-N 1 3 305.466 2.092 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000416896778 404955009 /nfs/dbraw/zinc/95/50/09/404955009.db2.gz WOUBFHLNKPMIIJ-IAGOWNOFSA-N 1 3 318.465 2.065 20 0 DEADHO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415881209 404960178 /nfs/dbraw/zinc/96/01/78/404960178.db2.gz HOPPUIZTUWJIBP-ZDUSSCGKSA-N 1 3 304.438 2.184 20 0 DEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415881209 404960183 /nfs/dbraw/zinc/96/01/83/404960183.db2.gz HOPPUIZTUWJIBP-ZDUSSCGKSA-N 1 3 304.438 2.184 20 0 DEADHO CCC[C@H]1CNCCN1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000416799900 404916043 /nfs/dbraw/zinc/91/60/43/404916043.db2.gz DYUBSXDBXASFQH-DLBZAZTESA-N 1 3 318.465 2.073 20 0 DEADHO CCC[C@H]1CNCCN1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000416799900 404916049 /nfs/dbraw/zinc/91/60/49/404916049.db2.gz DYUBSXDBXASFQH-DLBZAZTESA-N 1 3 318.465 2.073 20 0 DEADHO CCC[C@H]1CNCCN1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000416799902 404916447 /nfs/dbraw/zinc/91/64/47/404916447.db2.gz DYUBSXDBXASFQH-IRXDYDNUSA-N 1 3 318.465 2.073 20 0 DEADHO CCC[C@H]1CNCCN1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000416799902 404916451 /nfs/dbraw/zinc/91/64/51/404916451.db2.gz DYUBSXDBXASFQH-IRXDYDNUSA-N 1 3 318.465 2.073 20 0 DEADHO CN(C)[C@@H](CNC(=O)N[C@H](C[NH3+])C1CCCC1)c1ccccc1 ZINC000416814596 404921829 /nfs/dbraw/zinc/92/18/29/404921829.db2.gz VPNMZPOJISQLPT-SJORKVTESA-N 1 3 318.465 2.106 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000416833745 404927711 /nfs/dbraw/zinc/92/77/11/404927711.db2.gz CWBVQZWQWYNWEU-JKSUJKDBSA-N 1 3 306.454 2.106 20 0 DEADHO C[C@H]1CCN(C(=O)NCC(C)(C)N2CCCCC2)[C@@H](C[NH3+])C1 ZINC000416836326 404929512 /nfs/dbraw/zinc/92/95/12/404929512.db2.gz VAPNQKULQRQBDH-LSDHHAIUSA-N 1 3 310.486 2.020 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N(C)[C@@H](C)C[NH3+])c1ccccc1 ZINC000416840294 404930837 /nfs/dbraw/zinc/93/08/37/404930837.db2.gz LABNPYDNOIFXRH-GOEBONIOSA-N 1 3 306.454 2.058 20 0 DEADHO C[C@@H]1NCCN(C(=O)NCC2([NH+](C)C)CCCCCC2)[C@H]1C ZINC000416855388 404938264 /nfs/dbraw/zinc/93/82/64/404938264.db2.gz YBQQIFOCJISZDE-GJZGRUSLSA-N 1 3 310.486 2.033 20 0 DEADHO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000416001013 405002169 /nfs/dbraw/zinc/00/21/69/405002169.db2.gz YIWDPMGNRVKBCA-INIZCTEOSA-N 1 3 302.422 2.238 20 0 DEADHO CCCN(C(=O)N[C@@H](C)CN1CCCCC1)C1CC[NH2+]CC1 ZINC000417018434 405004883 /nfs/dbraw/zinc/00/48/83/405004883.db2.gz HXSOPAYCNUGXOQ-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@H]1NCCN(C(=O)NCCC[N@H+](C)C2CCCCC2)[C@@H]1C ZINC000417023149 405005672 /nfs/dbraw/zinc/00/56/72/405005672.db2.gz VOQHHHBFUPYYOZ-HUUCEWRRSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H]1NCCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)[C@@H]1C ZINC000417023149 405005676 /nfs/dbraw/zinc/00/56/76/405005676.db2.gz VOQHHHBFUPYYOZ-HUUCEWRRSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H]1NCCN(C(=O)NCCC[N@H+](C)C2CCCCC2)[C@H]1C ZINC000417022692 405006126 /nfs/dbraw/zinc/00/61/26/405006126.db2.gz VOQHHHBFUPYYOZ-CABCVRRESA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H]1NCCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC000417022692 405006131 /nfs/dbraw/zinc/00/61/31/405006131.db2.gz VOQHHHBFUPYYOZ-CABCVRRESA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H]2C[C@@H]2N)C1 ZINC000424138726 405019209 /nfs/dbraw/zinc/01/92/09/405019209.db2.gz URJHPKNWGCRHFI-ZZCKCESHSA-N 1 3 315.461 2.128 20 0 DEADHO C[C@@H](CCCC[NH3+])NC(=O)NCc1cccc(CN(C)C)c1 ZINC000417066788 405024391 /nfs/dbraw/zinc/02/43/91/405024391.db2.gz LZBUSMFDOAWBBA-AWEZNQCLSA-N 1 3 306.454 2.065 20 0 DEADHO C[C@@H](c1ccccc1)N(C)C(=O)CN1CCC(CC[NH3+])CC1 ZINC000387488960 405035290 /nfs/dbraw/zinc/03/52/90/405035290.db2.gz WMZIIDZIRGYSFB-HNNXBMFYSA-N 1 3 303.450 2.267 20 0 DEADHO Cc1cc(C)cc(OC[C@H](O)CN[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000388912063 405036334 /nfs/dbraw/zinc/03/63/34/405036334.db2.gz UNCULWDNJMRTQK-YESZJQIVSA-N 1 3 306.450 2.115 20 0 DEADHO Cc1cc(C)cc(OC[C@H](O)CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000388912063 405036340 /nfs/dbraw/zinc/03/63/40/405036340.db2.gz UNCULWDNJMRTQK-YESZJQIVSA-N 1 3 306.450 2.115 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@H](C)C[NH3+])c1ccsc1 ZINC000417010195 405000544 /nfs/dbraw/zinc/00/05/44/405000544.db2.gz OVBWXVYDGNRSTK-OCCSQVGLSA-N 1 3 312.483 2.120 20 0 DEADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000417716893 405094209 /nfs/dbraw/zinc/09/42/09/405094209.db2.gz UOIRYACGDKHSQV-JKSUJKDBSA-N 1 3 310.486 2.034 20 0 DEADHO CC[NH+](CC)Cc1ccc(C(=O)NCC2(N(C)C)CC2)cc1 ZINC000416303734 405096149 /nfs/dbraw/zinc/09/61/49/405096149.db2.gz SEMKBMAQOJVQFK-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO C[C@@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)C1=CCN(C)CC1 ZINC000416199691 405054486 /nfs/dbraw/zinc/05/44/86/405054486.db2.gz ODCSVKZGCJJOMS-CRAIPNDOSA-N 1 3 315.461 2.446 20 0 DEADHO COC(=O)c1ccc(CN2CCCC3(CC[NH+](C)CC3)C2)nc1 ZINC000367531032 405075108 /nfs/dbraw/zinc/07/51/08/405075108.db2.gz LCQRQIADVFCNQZ-UHFFFAOYSA-N 1 3 317.433 2.176 20 0 DEADHO Cc1ccc([C@H](CNC(=O)NCCC[NH2+]C2CC2)N(C)C)cc1 ZINC000417311415 405086486 /nfs/dbraw/zinc/08/64/86/405086486.db2.gz LRUPXHLHHOJDEC-KRWDZBQOSA-N 1 3 318.465 2.039 20 0 DEADHO C[NH2+]C[C@H](C)CNC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000418163710 405115048 /nfs/dbraw/zinc/11/50/48/405115048.db2.gz HDQSQQFBAZSVQG-INIZCTEOSA-N 1 3 324.513 2.187 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N(C)C2CC[NH2+]CC2)cc1 ZINC000418349040 405123944 /nfs/dbraw/zinc/12/39/44/405123944.db2.gz JWCIDHZBOZGOJY-QGZVFWFLSA-N 1 3 318.465 2.203 20 0 DEADHO C[C@@H](C[NH3+])NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000418564153 405133426 /nfs/dbraw/zinc/13/34/26/405133426.db2.gz IXZGHTOJURGASW-UXLLHSPISA-N 1 3 318.465 2.028 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000418635631 405144817 /nfs/dbraw/zinc/14/48/17/405144817.db2.gz HAMDWRBCRYUSKP-INIZCTEOSA-N 1 3 324.513 2.282 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418651298 405150942 /nfs/dbraw/zinc/15/09/42/405150942.db2.gz LMSHZNHYHXRZTE-YSVLISHTSA-N 1 3 318.465 2.066 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418758825 405196087 /nfs/dbraw/zinc/19/60/87/405196087.db2.gz CVFRILXCHCVERB-INIZCTEOSA-N 1 3 310.486 2.036 20 0 DEADHO CC[C@H](CN1CCN(CC[N@H+](C)Cc2ccccc2)CC1)OC ZINC000419210775 405229151 /nfs/dbraw/zinc/22/91/51/405229151.db2.gz VOLDPODSWPENIB-LJQANCHMSA-N 1 3 319.493 2.161 20 0 DEADHO CC[C@H](CN1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)OC ZINC000419210775 405229152 /nfs/dbraw/zinc/22/91/52/405229152.db2.gz VOLDPODSWPENIB-LJQANCHMSA-N 1 3 319.493 2.161 20 0 DEADHO CN(C)CCN(C)CCC[N@H+](C)C[C@@H]1CCOc2ccccc21 ZINC000368142709 405229917 /nfs/dbraw/zinc/22/99/17/405229917.db2.gz MSDVYTXDAPPCSI-KRWDZBQOSA-N 1 3 319.493 2.368 20 0 DEADHO CN(C)CCN(C)CCC[N@@H+](C)C[C@@H]1CCOc2ccccc21 ZINC000368142709 405229920 /nfs/dbraw/zinc/22/99/20/405229920.db2.gz MSDVYTXDAPPCSI-KRWDZBQOSA-N 1 3 319.493 2.368 20 0 DEADHO CC[C@H](N)C(=O)N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000368453914 405240460 /nfs/dbraw/zinc/24/04/60/405240460.db2.gz NIEFOMXZMFGZJH-OIISXLGYSA-N 1 3 303.450 2.408 20 0 DEADHO CC[C@H](N)C(=O)N(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000368453914 405240464 /nfs/dbraw/zinc/24/04/64/405240464.db2.gz NIEFOMXZMFGZJH-OIISXLGYSA-N 1 3 303.450 2.408 20 0 DEADHO CN(CC[C@H]1CCC[NH2+]C1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000420298473 405311007 /nfs/dbraw/zinc/31/10/07/405311007.db2.gz HELYEPKOYZWWOW-RHSMWYFYSA-N 1 3 319.424 2.253 20 0 DEADHO CCOc1ccccc1NC(=O)CCN1C[C@H](C[NH3+])C[C@H]1C ZINC000420306356 405313284 /nfs/dbraw/zinc/31/32/84/405313284.db2.gz AJYBHCDAHHZXLR-KGLIPLIRSA-N 1 3 305.422 2.083 20 0 DEADHO CCOc1ccccc1N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000420313606 405315610 /nfs/dbraw/zinc/31/56/10/405315610.db2.gz YDYZTHVAHUYCNY-MRXNPFEDSA-N 1 3 303.450 2.207 20 0 DEADHO C[NH2+]CCC1CCN([C@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000420317729 405316745 /nfs/dbraw/zinc/31/67/45/405316745.db2.gz ZVNQDOVQBKPLCK-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO O=C(c1ccsc1)N1CCCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420321716 405318811 /nfs/dbraw/zinc/31/88/11/405318811.db2.gz RLZFVPTUOGLUQY-HNNXBMFYSA-N 1 3 321.490 2.286 20 0 DEADHO NC[C@@H]1C[N@H+](CCCOCc2ccccc2)CC12CCOCC2 ZINC000420322879 405319380 /nfs/dbraw/zinc/31/93/80/405319380.db2.gz FRQRWKFCHABARZ-GOSISDBHSA-N 1 3 318.461 2.281 20 0 DEADHO NC[C@@H]1C[N@@H+](CCCOCc2ccccc2)CC12CCOCC2 ZINC000420322879 405319383 /nfs/dbraw/zinc/31/93/83/405319383.db2.gz FRQRWKFCHABARZ-GOSISDBHSA-N 1 3 318.461 2.281 20 0 DEADHO CC1CCC(N(C)C(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000420333200 405323481 /nfs/dbraw/zinc/32/34/81/405323481.db2.gz FEEAZJLMKODWPR-SAGYGOJTSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H](C(=O)NCC1CCCCC1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420345962 405326857 /nfs/dbraw/zinc/32/68/57/405326857.db2.gz WZDGUTKUADYWNC-KBAYOESNSA-N 1 3 321.509 2.393 20 0 DEADHO CC[C@H](c1ccc(Br)cc1)[N@H+](C)C[C@@H](O)CN ZINC000420352761 405329403 /nfs/dbraw/zinc/32/94/03/405329403.db2.gz MRYDGGKMMTUKNZ-QWHCGFSZSA-N 1 3 301.228 2.152 20 0 DEADHO CC[C@H](c1ccc(Br)cc1)[N@@H+](C)C[C@@H](O)CN ZINC000420352761 405329404 /nfs/dbraw/zinc/32/94/04/405329404.db2.gz MRYDGGKMMTUKNZ-QWHCGFSZSA-N 1 3 301.228 2.152 20 0 DEADHO C[C@H](C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)CN(C)C ZINC000425946313 405332323 /nfs/dbraw/zinc/33/23/23/405332323.db2.gz VFTQNPRTYPRXHJ-RYRKJORJSA-N 1 3 304.482 2.079 20 0 DEADHO COc1ccccc1[C@@H]1CC[C@H](C)CN1CCN1CC[NH2+]CC1 ZINC000420372604 405335945 /nfs/dbraw/zinc/33/59/45/405335945.db2.gz LOJGVOLWZDMJLV-WMZOPIPTSA-N 1 3 317.477 2.373 20 0 DEADHO COCC(C)(C)C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426409052 405358332 /nfs/dbraw/zinc/35/83/32/405358332.db2.gz DFVRRLVBQWPBRS-IYBDPMFKSA-N 1 3 312.498 2.480 20 0 DEADHO COc1cccc(NC(=O)CCN[C@H]2CC[NH2+]CC2(C)C)c1 ZINC000420372076 405336368 /nfs/dbraw/zinc/33/63/68/405336368.db2.gz XXOGUJYQVAMUOR-HNNXBMFYSA-N 1 3 305.422 2.002 20 0 DEADHO COc1cccc(NC(=O)CC[NH2+][C@H]2CCNCC2(C)C)c1 ZINC000420372076 405336370 /nfs/dbraw/zinc/33/63/70/405336370.db2.gz XXOGUJYQVAMUOR-HNNXBMFYSA-N 1 3 305.422 2.002 20 0 DEADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCCN1CCCC(C)(C)C1 ZINC000444849610 405342787 /nfs/dbraw/zinc/34/27/87/405342787.db2.gz NQLRGGUBXOKPGQ-INIZCTEOSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1)N(C)C ZINC000454493424 405353971 /nfs/dbraw/zinc/35/39/71/405353971.db2.gz WLEJGOFXNQHPQS-DOTOQJQBSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)N(C)C ZINC000454493424 405353973 /nfs/dbraw/zinc/35/39/73/405353973.db2.gz WLEJGOFXNQHPQS-DOTOQJQBSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000439781323 405291887 /nfs/dbraw/zinc/29/18/87/405291887.db2.gz JILZCQDFRQTEOZ-SJLPKXTDSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000439781323 405291889 /nfs/dbraw/zinc/29/18/89/405291889.db2.gz JILZCQDFRQTEOZ-SJLPKXTDSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C[C@H]1CCCN1C)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000420782193 405383233 /nfs/dbraw/zinc/38/32/33/405383233.db2.gz COZGYYIDTBRBMH-QGZVFWFLSA-N 1 3 324.513 2.378 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000446862683 405395539 /nfs/dbraw/zinc/39/55/39/405395539.db2.gz RVEPLTXDRQNGFJ-HUUCEWRRSA-N 1 3 307.438 2.043 20 0 DEADHO O[C@H]1C[C@@H](CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000420927608 405406983 /nfs/dbraw/zinc/40/69/83/405406983.db2.gz ACNWNOSPRRMXBP-OTWHNJEPSA-N 1 3 300.446 2.355 20 0 DEADHO O[C@H]1C[C@@H](CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000420927608 405406984 /nfs/dbraw/zinc/40/69/84/405406984.db2.gz ACNWNOSPRRMXBP-OTWHNJEPSA-N 1 3 300.446 2.355 20 0 DEADHO C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1)[NH+](C)C ZINC000455428805 405408272 /nfs/dbraw/zinc/40/82/72/405408272.db2.gz ICXVUZPHGIUJOM-RDJZCZTQSA-N 1 3 318.465 2.073 20 0 DEADHO CC[NH+]1CCC(N2CCCN(Cc3cccnc3C)CC2)CC1 ZINC000420982540 405420505 /nfs/dbraw/zinc/42/05/05/405420505.db2.gz PEXNADHRGAOTCT-UHFFFAOYSA-N 1 3 316.493 2.382 20 0 DEADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCc2nc(-c3ccccc3)no2)C1 ZINC000430564254 405458243 /nfs/dbraw/zinc/45/82/43/405458243.db2.gz LCOCIMIZZOGCFK-UKRRQHHQSA-N 1 3 300.406 2.338 20 0 DEADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000430581346 405460928 /nfs/dbraw/zinc/46/09/28/405460928.db2.gz HEYZTAPTLDYCLC-XHSDSOJGSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCCN(CCC(=O)N2CCc3sccc3C2)C1 ZINC000430594985 405464062 /nfs/dbraw/zinc/46/40/62/405464062.db2.gz WTAREPNJHZAXMI-UONOGXRCSA-N 1 3 321.490 2.082 20 0 DEADHO CC[NH2+]CC1CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000430600397 405464524 /nfs/dbraw/zinc/46/45/24/405464524.db2.gz XTDKJWGTOLCUON-UHFFFAOYSA-N 1 3 314.433 2.199 20 0 DEADHO N[C@H]1CCCCC[C@H]1[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000577720364 405497558 /nfs/dbraw/zinc/49/75/58/405497558.db2.gz UFAYTRJLCSIEDH-ZWKOTPCHSA-N 1 3 302.466 2.296 20 0 DEADHO [NH3+][C@H]1CCCCC[C@H]1NC1CCN(Cc2ccncc2)CC1 ZINC000577720364 405497563 /nfs/dbraw/zinc/49/75/63/405497563.db2.gz UFAYTRJLCSIEDH-ZWKOTPCHSA-N 1 3 302.466 2.296 20 0 DEADHO CN(CCC(=O)Nc1ccc(Cl)cc1F)C1CC[NH2+]CC1 ZINC000430612769 405466481 /nfs/dbraw/zinc/46/64/81/405466481.db2.gz SRGGZKHQOSEWLF-UHFFFAOYSA-N 1 3 313.804 2.492 20 0 DEADHO C[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)C1CCNCC1 ZINC000430612769 405466482 /nfs/dbraw/zinc/46/64/82/405466482.db2.gz SRGGZKHQOSEWLF-UHFFFAOYSA-N 1 3 313.804 2.492 20 0 DEADHO C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)C1CCNCC1 ZINC000430612769 405466483 /nfs/dbraw/zinc/46/64/83/405466483.db2.gz SRGGZKHQOSEWLF-UHFFFAOYSA-N 1 3 313.804 2.492 20 0 DEADHO C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431013236 405559087 /nfs/dbraw/zinc/55/90/87/405559087.db2.gz ICZPTXDRNKIMHA-JKSUJKDBSA-N 1 3 315.461 2.328 20 0 DEADHO CC(C)[C@@H]1CNCCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000638487761 405501739 /nfs/dbraw/zinc/50/17/39/405501739.db2.gz BETAEEWKIQFVNZ-SFHVURJKSA-N 1 3 315.461 2.352 20 0 DEADHO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000430893569 405522216 /nfs/dbraw/zinc/52/22/16/405522216.db2.gz GIESVGMTQCOSLX-IXDOHACOSA-N 1 3 307.482 2.371 20 0 DEADHO CCC[N@@H+]1CC[C@H](CNC[C@H](O)COCc2ccccc2F)C1 ZINC000577841571 405524322 /nfs/dbraw/zinc/52/43/22/405524322.db2.gz WWBDNETXECZETD-WBVHZDCISA-N 1 3 324.440 2.025 20 0 DEADHO CCC[N@H+]1CC[C@H](CNC[C@H](O)COCc2ccccc2F)C1 ZINC000577841571 405524328 /nfs/dbraw/zinc/52/43/28/405524328.db2.gz WWBDNETXECZETD-WBVHZDCISA-N 1 3 324.440 2.025 20 0 DEADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)COCc2ccccc2F)C1 ZINC000577841571 405524335 /nfs/dbraw/zinc/52/43/35/405524335.db2.gz WWBDNETXECZETD-WBVHZDCISA-N 1 3 324.440 2.025 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000431037906 405564927 /nfs/dbraw/zinc/56/49/27/405564927.db2.gz AMUQVPLGONDVDG-AEFFLSMTSA-N 1 3 317.477 2.498 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000431037906 405564933 /nfs/dbraw/zinc/56/49/33/405564933.db2.gz AMUQVPLGONDVDG-AEFFLSMTSA-N 1 3 317.477 2.498 20 0 DEADHO C[C@H]([NH3+])C1CCN([C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000430915017 405525771 /nfs/dbraw/zinc/52/57/71/405525771.db2.gz BGAKKCQARXNBAN-KKUMJFAQSA-N 1 3 315.461 2.412 20 0 DEADHO C[NH2+]CC1CCN([C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000430923876 405529124 /nfs/dbraw/zinc/52/91/24/405529124.db2.gz GZXQLFBZAHLNEP-KRWDZBQOSA-N 1 3 301.434 2.113 20 0 DEADHO C[NH+](C)C/C=C\C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000493346324 405536095 /nfs/dbraw/zinc/53/60/95/405536095.db2.gz BIPRNENSOPFLRS-NLZINVLXSA-N 1 3 301.434 2.058 20 0 DEADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCCc2cccc(CN)c21 ZINC000638543982 405538722 /nfs/dbraw/zinc/53/87/22/405538722.db2.gz RHRJRQWHNMGITH-OAHLLOKOSA-N 1 3 303.450 2.449 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CC2CC[NH2+]CC2)C1 ZINC000431061068 405570124 /nfs/dbraw/zinc/57/01/24/405570124.db2.gz IQQNVXPPTXHAPH-CRAIPNDOSA-N 1 3 315.461 2.328 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCN1CCCCCC1=O ZINC000422761774 405678212 /nfs/dbraw/zinc/67/82/12/405678212.db2.gz RQDDGLSHCRVTKH-AWEZNQCLSA-N 1 3 318.465 2.292 20 0 DEADHO CN(C)[C@@H](CC(=O)NCC(C)(C)C[NH+](C)C)c1ccccc1 ZINC000431564401 405643907 /nfs/dbraw/zinc/64/39/07/405643907.db2.gz HVRFEPYHQAHDLU-INIZCTEOSA-N 1 3 305.466 2.383 20 0 DEADHO CN(C[C@H]1CCCN1C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000422043252 405658092 /nfs/dbraw/zinc/65/80/92/405658092.db2.gz WMCVKJITDULNCE-IAGOWNOFSA-N 1 3 307.482 2.336 20 0 DEADHO CN(C[C@H]1CCCN1C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000422043252 405658097 /nfs/dbraw/zinc/65/80/97/405658097.db2.gz WMCVKJITDULNCE-IAGOWNOFSA-N 1 3 307.482 2.336 20 0 DEADHO CC[C@H](C)[C@H](O)CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422712004 405675323 /nfs/dbraw/zinc/67/53/23/405675323.db2.gz NPGGTFMPZMLDLB-SCNOPHJPSA-N 1 3 304.434 2.239 20 0 DEADHO c1[nH]c2ccccc2c1CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422737628 405677782 /nfs/dbraw/zinc/67/77/82/405677782.db2.gz ZZKSHZGZQXNWNY-NZSAHSFTSA-N 1 3 313.445 2.457 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cc(F)ccc1N1CCOCC1 ZINC000422776792 405681883 /nfs/dbraw/zinc/68/18/83/405681883.db2.gz DXQAATUCBQMOGV-WMLDXEAASA-N 1 3 321.440 2.269 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000423070035 405699796 /nfs/dbraw/zinc/69/97/96/405699796.db2.gz CCKDBBICPDYSSR-NKGKWGDASA-N 1 3 306.425 2.269 20 0 DEADHO COc1cc(OC)cc(OCCC[NH2+][C@@H]2CCC[C@H]2CN)c1 ZINC000422931577 405691365 /nfs/dbraw/zinc/69/13/65/405691365.db2.gz XWFIKFKHUYHWEK-SUMWQHHRSA-N 1 3 308.422 2.190 20 0 DEADHO CCO[C@H]1C[C@@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423168046 405710741 /nfs/dbraw/zinc/71/07/41/405710741.db2.gz UCHGFDDBBUHLLV-KKBFJZEXSA-N 1 3 302.418 2.399 20 0 DEADHO CN(C)[C@@H](CNC1CC[NH+](CC(C)(C)O)CC1)c1ccccc1 ZINC000638846665 405711736 /nfs/dbraw/zinc/71/17/36/405711736.db2.gz AETUHLOAMVPLJO-SFHVURJKSA-N 1 3 319.493 2.114 20 0 DEADHO CN(C)[C@@H](C[NH2+]C1CCN(CC(C)(C)O)CC1)c1ccccc1 ZINC000638846665 405711740 /nfs/dbraw/zinc/71/17/40/405711740.db2.gz AETUHLOAMVPLJO-SFHVURJKSA-N 1 3 319.493 2.114 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000423196495 405719272 /nfs/dbraw/zinc/71/92/72/405719272.db2.gz ZVMYYWNIGDHVEC-SWLSCSKDSA-N 1 3 317.408 2.415 20 0 DEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(F)cc2)C1 ZINC000568750841 292364796 /nfs/dbraw/zinc/36/47/96/292364796.db2.gz LZIRYXLVYBDRKL-XHSDSOJGSA-N 1 3 310.413 2.028 20 0 DEADHO Cc1ccc(S(=O)(=O)C[C@H](C)NCC[C@H]2CCC[NH2+]C2)cc1 ZINC000423256807 405738042 /nfs/dbraw/zinc/73/80/42/405738042.db2.gz GBGVEFWVXPAWHW-JKSUJKDBSA-N 1 3 324.490 2.137 20 0 DEADHO CC(=O)NCCc1ccc([C@H](C)N[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000423280445 405747682 /nfs/dbraw/zinc/74/76/82/405747682.db2.gz UEULBKOUJKYREB-VHSSKADRSA-N 1 3 303.450 2.143 20 0 DEADHO CC(C)CN(CCN(C)C)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000459109890 405752227 /nfs/dbraw/zinc/75/22/27/405752227.db2.gz QFNQUSOPNVXMBQ-UHFFFAOYSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CC2(C[NH3+])CC2)C1 ZINC000423361739 405775718 /nfs/dbraw/zinc/77/57/18/405775718.db2.gz MMXZNWDGQBJRKA-HOCLYGCPSA-N 1 3 301.434 2.067 20 0 DEADHO C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000423385339 405785610 /nfs/dbraw/zinc/78/56/10/405785610.db2.gz QTMCUIDVAVZYLA-WMLDXEAASA-N 1 3 301.434 2.407 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)CC2(C[NH3+])CC2)CC1 ZINC000423388961 405787431 /nfs/dbraw/zinc/78/74/31/405787431.db2.gz UPGLUAOEIAMSQX-HNNXBMFYSA-N 1 3 315.461 2.457 20 0 DEADHO C[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1 ZINC000423395456 405788812 /nfs/dbraw/zinc/78/88/12/405788812.db2.gz SOYXODZZAPRLCG-GXTWGEPZSA-N 1 3 301.356 2.173 20 0 DEADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](c1nc[nH]n1)C1CCCCC1 ZINC000495054793 405807080 /nfs/dbraw/zinc/80/70/80/405807080.db2.gz WXAIZQROZANHNV-HZPDHXFCSA-N 1 3 323.485 2.373 20 0 DEADHO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000457357131 405809767 /nfs/dbraw/zinc/80/97/67/405809767.db2.gz IHZNZCLMVMYDRW-CRAIPNDOSA-N 1 3 315.461 2.237 20 0 DEADHO C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc(F)c1 ZINC000423453863 405810818 /nfs/dbraw/zinc/81/08/18/405810818.db2.gz KZUHBLNFSLRYKE-NJAPINKUSA-N 1 3 319.424 2.123 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)CC3CC[NH2+]CC3)C2)cc1 ZINC000639004825 405816066 /nfs/dbraw/zinc/81/60/66/405816066.db2.gz KYCYCRJSHMKFFH-SFHVURJKSA-N 1 3 315.461 2.075 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000639005465 405817195 /nfs/dbraw/zinc/81/71/95/405817195.db2.gz NDTSGYUIWNEYJO-KSZLIROESA-N 1 3 315.461 2.074 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)C[C@H]([NH3+])C(C)C)C2)cc1 ZINC000639006106 405818357 /nfs/dbraw/zinc/81/83/57/405818357.db2.gz SGEISNGMEMGHSG-SJORKVTESA-N 1 3 303.450 2.059 20 0 DEADHO N[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)C1CCC1 ZINC000423340049 405767082 /nfs/dbraw/zinc/76/70/82/405767082.db2.gz SNVCVMJUXNZJCJ-QGZVFWFLSA-N 1 3 301.434 2.026 20 0 DEADHO C[C@@H]1CCN[C@H](C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000423341388 405768769 /nfs/dbraw/zinc/76/87/69/405768769.db2.gz UHMLWSZREWGUDK-QAPCUYQASA-N 1 3 315.461 2.287 20 0 DEADHO C[C@@H](NCC[C@H]1CCC[NH2+]1)c1ccc(OCCN(C)C)cc1 ZINC000423352718 405772467 /nfs/dbraw/zinc/77/24/67/405772467.db2.gz AIWDBHCPFUDEGM-NVXWUHKLSA-N 1 3 305.466 2.420 20 0 DEADHO C[C@@H](CCN1CCC2(CCO2)CC1)[NH+]1CCC2(CCO2)CC1 ZINC000560930232 405879404 /nfs/dbraw/zinc/87/94/04/405879404.db2.gz FIZNDYVSEXJBDU-INIZCTEOSA-N 1 3 308.466 2.275 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(-n2cncn2)c(F)c1 ZINC000560961435 405881967 /nfs/dbraw/zinc/88/19/67/405881967.db2.gz QLQBIQLPOCFXRM-UKRRQHHQSA-N 1 3 303.385 2.014 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000433178470 405888264 /nfs/dbraw/zinc/88/82/64/405888264.db2.gz RXSXNYGFOLVLKH-LBPRGKRZSA-N 1 3 303.328 2.334 20 0 DEADHO CO[C@](C)(C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1)C1CC1 ZINC000639045014 405841467 /nfs/dbraw/zinc/84/14/67/405841467.db2.gz SRMGANACWZETRP-LJQANCHMSA-N 1 3 323.525 2.151 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)CN2CCC(C)(C)C2)C1 ZINC000561155442 405897313 /nfs/dbraw/zinc/89/73/13/405897313.db2.gz KOBJNUVKGOSKDI-MRXNPFEDSA-N 1 3 309.498 2.347 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)CN2CCC(C)(C)C2)C1 ZINC000561155442 405897320 /nfs/dbraw/zinc/89/73/20/405897320.db2.gz KOBJNUVKGOSKDI-MRXNPFEDSA-N 1 3 309.498 2.347 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000457474045 405858899 /nfs/dbraw/zinc/85/88/99/405858899.db2.gz YQPICYMFHGASCL-MRXNPFEDSA-N 1 3 324.513 2.375 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000457474045 405858906 /nfs/dbraw/zinc/85/89/06/405858906.db2.gz YQPICYMFHGASCL-MRXNPFEDSA-N 1 3 324.513 2.375 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000423583429 405862916 /nfs/dbraw/zinc/86/29/16/405862916.db2.gz JSJGRYCMTURZCW-UHFFFAOYSA-N 1 3 309.413 2.281 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000433367664 405936163 /nfs/dbraw/zinc/93/61/63/405936163.db2.gz VIPKTMFCTVQORA-HZPDHXFCSA-N 1 3 303.450 2.351 20 0 DEADHO CN(C)CCN(CCCc1ccccc1)C(=O)C[C@H]1CC[NH2+]C1 ZINC000423746617 405942596 /nfs/dbraw/zinc/94/25/96/405942596.db2.gz NYUMGTSDCBLDHS-GOSISDBHSA-N 1 3 317.477 2.009 20 0 DEADHO CC[C@H](C)[C@H](C[NH+]1CCC(CN2CCN(C)CC2)CC1)OC ZINC000639171029 405943858 /nfs/dbraw/zinc/94/38/58/405943858.db2.gz OLRMPCAQFAPEGL-WMZOPIPTSA-N 1 3 311.514 2.007 20 0 DEADHO CC[N@H+](Cc1ccc(CN(C)C)cc1)C[C@@]1(OC)CCOC1 ZINC000639173467 405944963 /nfs/dbraw/zinc/94/49/63/405944963.db2.gz ZBVQSEITQXLJPM-SFHVURJKSA-N 1 3 306.450 2.376 20 0 DEADHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)C[C@@]1(OC)CCOC1 ZINC000639173467 405944967 /nfs/dbraw/zinc/94/49/67/405944967.db2.gz ZBVQSEITQXLJPM-SFHVURJKSA-N 1 3 306.450 2.376 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423755728 405948395 /nfs/dbraw/zinc/94/83/95/405948395.db2.gz FTFQPHJPFTVOAL-IAGOWNOFSA-N 1 3 309.498 2.474 20 0 DEADHO CN(C)C[C@@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423777433 405960207 /nfs/dbraw/zinc/96/02/07/405960207.db2.gz RHUSFICZLOYCEU-SWLSCSKDSA-N 1 3 309.841 2.059 20 0 DEADHO COCC1(C(=O)Nc2cc(C)cc(CN(C)C)c2)CC[NH2+]CC1 ZINC000423776842 405960488 /nfs/dbraw/zinc/96/04/88/405960488.db2.gz BFYIBIFSFDVHGW-UHFFFAOYSA-N 1 3 319.449 2.011 20 0 DEADHO CN(C)[C@H](CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000433230856 405902722 /nfs/dbraw/zinc/90/27/22/405902722.db2.gz WBXCHNXKBBAHDU-KZNAEPCWSA-N 1 3 315.461 2.422 20 0 DEADHO CN(C)[C@H](CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000433230856 405902730 /nfs/dbraw/zinc/90/27/30/405902730.db2.gz WBXCHNXKBBAHDU-KZNAEPCWSA-N 1 3 315.461 2.422 20 0 DEADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457594819 405912375 /nfs/dbraw/zinc/91/23/75/405912375.db2.gz JACSEKLNDSHGML-YOEHRIQHSA-N 1 3 307.482 2.050 20 0 DEADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN(C2CCCCC2)CC1 ZINC000423706740 405921177 /nfs/dbraw/zinc/92/11/77/405921177.db2.gz CCSJIACMYXEUCI-ALOPSCKCSA-N 1 3 319.493 2.384 20 0 DEADHO CC(C)(O)CN1CCC([NH2+][C@H]2COCc3ccccc32)CC1 ZINC000639274007 406014059 /nfs/dbraw/zinc/01/40/59/406014059.db2.gz YVAWRYYZCRHANB-KRWDZBQOSA-N 1 3 304.434 2.083 20 0 DEADHO COCCOc1ccc(C[N@H+](C)C[C@@H]2CCN(C)C2)cc1OC ZINC000434179797 406027827 /nfs/dbraw/zinc/02/78/27/406027827.db2.gz NODYUGRLLQSJCX-MRXNPFEDSA-N 1 3 322.449 2.104 20 0 DEADHO COCCOc1ccc(C[N@@H+](C)C[C@@H]2CCN(C)C2)cc1OC ZINC000434179797 406027829 /nfs/dbraw/zinc/02/78/29/406027829.db2.gz NODYUGRLLQSJCX-MRXNPFEDSA-N 1 3 322.449 2.104 20 0 DEADHO C[C@H](C(=O)NC1CC([NH+]2CCCCC2)C1)[C@@H](N)c1ccccc1 ZINC000423808866 405985924 /nfs/dbraw/zinc/98/59/24/405985924.db2.gz ZXYHFCGUBRNCFA-IWCVFHTOSA-N 1 3 315.461 2.456 20 0 DEADHO CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433948234 406001703 /nfs/dbraw/zinc/00/17/03/406001703.db2.gz CZKYKHRTNHNPNF-INIZCTEOSA-N 1 3 322.497 2.129 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]CCN2CC[C@@H](C)C2)[C@H](C)C1 ZINC000532530854 406082852 /nfs/dbraw/zinc/08/28/52/406082852.db2.gz QWAMGZFGFOLXAW-KURKYZTESA-N 1 3 311.514 2.055 20 0 DEADHO CC(C)CN1CCC([NH2+]C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000565594392 406074072 /nfs/dbraw/zinc/07/40/72/406074072.db2.gz VTHTYPNJZHKOPT-GOSISDBHSA-N 1 3 308.441 2.439 20 0 DEADHO C[C@@H]1C[C@H](C)[N@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000475028959 406145951 /nfs/dbraw/zinc/14/59/51/406145951.db2.gz CWWUYMGMFXAXJK-HLLBOEOZSA-N 1 3 303.450 2.136 20 0 DEADHO C[C@@H]1C[C@H](C)[N@@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000475028959 406145954 /nfs/dbraw/zinc/14/59/54/406145954.db2.gz CWWUYMGMFXAXJK-HLLBOEOZSA-N 1 3 303.450 2.136 20 0 DEADHO CCC[N@H+](CC)CCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000486237220 406185282 /nfs/dbraw/zinc/18/52/82/406185282.db2.gz ZOVZVOGKROPSHD-UHFFFAOYSA-N 1 3 324.513 2.378 20 0 DEADHO CCC[N@@H+](CC)CCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000486237220 406185286 /nfs/dbraw/zinc/18/52/86/406185286.db2.gz ZOVZVOGKROPSHD-UHFFFAOYSA-N 1 3 324.513 2.378 20 0 DEADHO CCc1cc(N2CCC[C@@H]([NH2+][C@H](C)[C@H]3CCCCN3)C2)ncn1 ZINC000569330802 406239212 /nfs/dbraw/zinc/23/92/12/406239212.db2.gz PQIKMOZDMFFKEC-DJIMGWMZSA-N 1 3 317.481 2.128 20 0 DEADHO C[C@H](C(=O)N1CCC(C)CC1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639759889 406239296 /nfs/dbraw/zinc/23/92/96/406239296.db2.gz MVYTUAUTCYZVRQ-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](NCCc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000519781663 406252623 /nfs/dbraw/zinc/25/26/23/406252623.db2.gz VFEKXSSOVOGWGT-ZBFHGGJFSA-N 1 3 302.397 2.413 20 0 DEADHO N[C@@H]1CCC[C@H]([NH2+]CCc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000519781663 406252628 /nfs/dbraw/zinc/25/26/28/406252628.db2.gz VFEKXSSOVOGWGT-ZBFHGGJFSA-N 1 3 302.397 2.413 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)N(CCN2CCCCCC2)C2CCC2)C1 ZINC000569879684 406314774 /nfs/dbraw/zinc/31/47/74/406314774.db2.gz CZUFXWPUBRFJLK-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)N(CCN2CCCCCC2)C2CCC2)C1 ZINC000569879684 406314780 /nfs/dbraw/zinc/31/47/80/406314780.db2.gz CZUFXWPUBRFJLK-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO C[NH+]1CCC(C)(CNC(=O)NC[C@H]2CCN2C2CCCC2)CC1 ZINC000637473429 406320831 /nfs/dbraw/zinc/32/08/31/406320831.db2.gz DMQVYWXOFHUXBF-MRXNPFEDSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCN2C2CCCC2)CC[N@@H+]1C ZINC000637474860 406321798 /nfs/dbraw/zinc/32/17/98/406321798.db2.gz JPIIZUBRXQTJAV-PVAVHDDUSA-N 1 3 322.497 2.127 20 0 DEADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCN2C2CCCC2)CC[N@H+]1C ZINC000637474860 406321804 /nfs/dbraw/zinc/32/18/04/406321804.db2.gz JPIIZUBRXQTJAV-PVAVHDDUSA-N 1 3 322.497 2.127 20 0 DEADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000488663952 406338053 /nfs/dbraw/zinc/33/80/53/406338053.db2.gz HCFKRFIGKBUSGZ-HZPDHXFCSA-N 1 3 324.513 2.233 20 0 DEADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000488663952 406338055 /nfs/dbraw/zinc/33/80/55/406338055.db2.gz HCFKRFIGKBUSGZ-HZPDHXFCSA-N 1 3 324.513 2.233 20 0 DEADHO Cc1ncc([C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)c(C)n1 ZINC000635006642 406396711 /nfs/dbraw/zinc/39/67/11/406396711.db2.gz CFPCSHJSKHWQTD-CYBMUJFWSA-N 1 3 312.421 2.071 20 0 DEADHO C[NH+](C)CC[C@@H](NC(=O)[C@H]1CNCc2ccccc21)C(C)(C)C ZINC000570573160 406410989 /nfs/dbraw/zinc/41/09/89/406410989.db2.gz HWBJRSNBFXCVFN-DLBZAZTESA-N 1 3 317.477 2.356 20 0 DEADHO CSc1ccc(OC[C@@H](O)C[NH2+]CCCN2CCCC2)cc1 ZINC000570662394 406422893 /nfs/dbraw/zinc/42/28/93/406422893.db2.gz IERNFHCQOCNGKQ-HNNXBMFYSA-N 1 3 324.490 2.224 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(CN(C)C)cc2)C1 ZINC000523510770 406428148 /nfs/dbraw/zinc/42/81/48/406428148.db2.gz VCPWWKWCGOMHDC-INIZCTEOSA-N 1 3 303.450 2.208 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc(CN(C)C)cc2)C1 ZINC000523510770 406428151 /nfs/dbraw/zinc/42/81/51/406428151.db2.gz VCPWWKWCGOMHDC-INIZCTEOSA-N 1 3 303.450 2.208 20 0 DEADHO CCN1CCC[C@@H](NC(=O)N2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000633084044 406376182 /nfs/dbraw/zinc/37/61/82/406376182.db2.gz ZFBCJIHECFPZTR-MRXNPFEDSA-N 1 3 322.497 2.131 20 0 DEADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000571203642 406490880 /nfs/dbraw/zinc/49/08/80/406490880.db2.gz DPDFHVNMJAHTKY-GLQYFDAESA-N 1 3 309.841 2.057 20 0 DEADHO CC[NH+]1CCC(n2nccc2NC(=O)[C@@H](N)CCC(C)C)CC1 ZINC000638056047 406546711 /nfs/dbraw/zinc/54/67/11/406546711.db2.gz VWVNQGVKDHMYOS-HNNXBMFYSA-N 1 3 321.469 2.242 20 0 DEADHO CC(C)CC[C@@H](N)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000638062899 406551838 /nfs/dbraw/zinc/55/18/38/406551838.db2.gz JWLHYLLKPNFEKH-QGZVFWFLSA-N 1 3 321.465 2.007 20 0 DEADHO O=C([C@H]1CCN1C1CCCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000635588760 406605631 /nfs/dbraw/zinc/60/56/31/406605631.db2.gz IQGZEKUTNMJWAY-FUHWJXTLSA-N 1 3 319.493 2.480 20 0 DEADHO CC1(C)C[NH2+][C@H]1C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000645787190 406628869 /nfs/dbraw/zinc/62/88/69/406628869.db2.gz ZQZXHIQUTLDCMM-SJORKVTESA-N 1 3 315.461 2.155 20 0 DEADHO CO[C@H](CN1CCC[C@H]([NH+]2CCCC2)CC1)C1CCOCC1 ZINC000638104995 406571213 /nfs/dbraw/zinc/57/12/13/406571213.db2.gz ODLUDHGPNATBPU-ZWKOTPCHSA-N 1 3 310.482 2.378 20 0 DEADHO Nc1c(F)cccc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000638124144 406581881 /nfs/dbraw/zinc/58/18/81/406581881.db2.gz CLZAVFKBAADHRQ-UHFFFAOYSA-N 1 3 321.440 2.485 20 0 DEADHO CCO[C@@H]1C[C@@H]([NH2+]CCCN2CCC(C)CC2)[C@]12CCCO2 ZINC000638307585 406688454 /nfs/dbraw/zinc/68/84/54/406688454.db2.gz UGRRUIIPEJMVGF-KZNAEPCWSA-N 1 3 310.482 2.425 20 0 DEADHO CC1(C)C[NH2+][C@H]1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000645808328 406641822 /nfs/dbraw/zinc/64/18/22/406641822.db2.gz IDUQARLPSCAYSM-ZFWWWQNUSA-N 1 3 321.490 2.074 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC000572303102 406642095 /nfs/dbraw/zinc/64/20/95/406642095.db2.gz YWQSKJOLBFHNNH-WMLDXEAASA-N 1 3 301.434 2.080 20 0 DEADHO CC[C@H](CNC(=O)/C=C/C[NH+](C)C)N1CCc2ccccc2C1 ZINC000491642056 406647137 /nfs/dbraw/zinc/64/71/37/406647137.db2.gz MBIOHDZQMGQUKS-RUJXFNLJSA-N 1 3 315.461 2.057 20 0 DEADHO Cc1cccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@@H](N(C)C)C2)c1 ZINC000572870277 406755337 /nfs/dbraw/zinc/75/53/37/406755337.db2.gz JCCHVIRIFYFRFQ-GVDBMIGSSA-N 1 3 306.450 2.197 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2[NH2+]CC2(C)C)CCN1Cc1ccccc1 ZINC000646176399 406809327 /nfs/dbraw/zinc/80/93/27/406809327.db2.gz ULIVBOHANLYHAR-HYVNUMGLSA-N 1 3 315.461 2.154 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000646183336 406810813 /nfs/dbraw/zinc/81/08/13/406810813.db2.gz VBNYLENRHCSIBK-ZMSDIMECSA-N 1 3 318.465 2.249 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000646222238 406820282 /nfs/dbraw/zinc/82/02/82/406820282.db2.gz AXVUKQFCNUKBTQ-KBRIMQKVSA-N 1 3 301.434 2.066 20 0 DEADHO COc1ccccc1[C@@H](N)CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000646605139 406885506 /nfs/dbraw/zinc/88/55/06/406885506.db2.gz ZGVKCBKLHACQLA-ZBFHGGJFSA-N 1 3 319.449 2.076 20 0 DEADHO COc1ccccc1[C@@H](N)CNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000646605139 406885509 /nfs/dbraw/zinc/88/55/09/406885509.db2.gz ZGVKCBKLHACQLA-ZBFHGGJFSA-N 1 3 319.449 2.076 20 0 DEADHO C[C@@H](CCC[NH3+])NC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000641927421 406907246 /nfs/dbraw/zinc/90/72/46/406907246.db2.gz XISGHLLRWWWNQH-DOTOQJQBSA-N 1 3 318.465 2.030 20 0 DEADHO COc1cccc(-c2n[nH]cc2CN2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000647509009 407009553 /nfs/dbraw/zinc/00/95/53/407009553.db2.gz FNONOBHFCMBFJM-OLZOCXBDSA-N 1 3 300.406 2.254 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CCC[NH2+]CC1 ZINC000643521711 407009955 /nfs/dbraw/zinc/00/99/55/407009955.db2.gz YNBNFJMJVGLVSJ-UONOGXRCSA-N 1 3 305.422 2.144 20 0 DEADHO C[C@H](CCCC[NH3+])N[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000643533245 407011601 /nfs/dbraw/zinc/01/16/01/407011601.db2.gz XPJYUKVQOGZCIL-RISCZKNCSA-N 1 3 314.426 2.151 20 0 DEADHO C[C@H](c1ccncc1)N1CCC([NH2+][C@@H]2CNC[C@@H](C)C2)CC1 ZINC000647550486 407019158 /nfs/dbraw/zinc/01/91/58/407019158.db2.gz UCWZHPLMGRCTIY-DAYGRLMNSA-N 1 3 302.466 2.195 20 0 DEADHO C[C@H](c1ccncc1)N1CCC(N[C@@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC000647550486 407019159 /nfs/dbraw/zinc/01/91/59/407019159.db2.gz UCWZHPLMGRCTIY-DAYGRLMNSA-N 1 3 302.466 2.195 20 0 DEADHO Cc1nc(CN2CCC(C[NH2+][C@H]3CCC[C@H]3CN)CC2)oc1C ZINC000643452132 407001461 /nfs/dbraw/zinc/00/14/61/407001461.db2.gz GPFWJELXCZQSHQ-IRXDYDNUSA-N 1 3 320.481 2.220 20 0 DEADHO Cc1cccc(C)c1OC[C@H](O)CN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000643464009 407003623 /nfs/dbraw/zinc/00/36/23/407003623.db2.gz UNSLXPAJPBIDHP-IAOVAPTHSA-N 1 3 306.450 2.021 20 0 DEADHO Cc1cccc(C)c1OC[C@H](O)CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000643464019 407003685 /nfs/dbraw/zinc/00/36/85/407003685.db2.gz UUNGATMJOTYUBX-GVDBMIGSSA-N 1 3 306.450 2.150 20 0 DEADHO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000643464019 407003686 /nfs/dbraw/zinc/00/36/86/407003686.db2.gz UUNGATMJOTYUBX-GVDBMIGSSA-N 1 3 306.450 2.150 20 0 DEADHO Cc1cc2cc(CN(C)CCN3CC[NH2+]CC3)oc2cc1C ZINC000647493065 407006709 /nfs/dbraw/zinc/00/67/09/407006709.db2.gz SKSRQUDUZAOCDC-UHFFFAOYSA-N 1 3 301.434 2.387 20 0 DEADHO CN(C)C[C@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647970868 407089948 /nfs/dbraw/zinc/08/99/48/407089948.db2.gz JJOLSEPGPGHBOK-JKSUJKDBSA-N 1 3 309.498 2.155 20 0 DEADHO CN(C)C[C@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647970868 407089949 /nfs/dbraw/zinc/08/99/49/407089949.db2.gz JJOLSEPGPGHBOK-JKSUJKDBSA-N 1 3 309.498 2.155 20 0 DEADHO C[NH+](C)C[C@H]1CCN(C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647970868 407089950 /nfs/dbraw/zinc/08/99/50/407089950.db2.gz JJOLSEPGPGHBOK-JKSUJKDBSA-N 1 3 309.498 2.155 20 0 DEADHO CC[C@@H]1CCCCN1C(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647974921 407090531 /nfs/dbraw/zinc/09/05/31/407090531.db2.gz BZLMLCPGPDNURE-KZNAEPCWSA-N 1 3 321.509 2.489 20 0 DEADHO CCC(C)(C)NC(=O)[C@H](C)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976150 407091732 /nfs/dbraw/zinc/09/17/32/407091732.db2.gz KWOLLOIGUGGVQB-ARFHVFGLSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647974993 407091884 /nfs/dbraw/zinc/09/18/84/407091884.db2.gz FJZJYWOTMAAGKB-MHORFTMASA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H]1CN(CCCC2CC[NH2+]CC2)[C@@H](CC)CN1C(C)=O ZINC000647889454 407068843 /nfs/dbraw/zinc/06/88/43/407068843.db2.gz SDLRZBIRESKEDL-ZWKOTPCHSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]([NH2+]C[C@@H](O)CN(C)Cc1ccccc1)C(C)(C)CN(C)C ZINC000644574199 407144957 /nfs/dbraw/zinc/14/49/57/407144957.db2.gz SHSXIXRWWNLBIU-SJLPKXTDSA-N 1 3 321.509 2.045 20 0 DEADHO C[C@H]([NH2+]CCC(=O)Nc1ccccc1F)C1=CCN(C)CC1 ZINC000644618575 407153909 /nfs/dbraw/zinc/15/39/09/407153909.db2.gz XCSJGPMOOOIWEG-ZDUSSCGKSA-N 1 3 305.397 2.394 20 0 DEADHO Cc1ccccc1CN1CCCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000645472495 407283122 /nfs/dbraw/zinc/28/31/22/407283122.db2.gz LDIFZCLBDFZEOI-IBGZPJMESA-N 1 3 315.461 2.029 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000645509427 407287454 /nfs/dbraw/zinc/28/74/54/407287454.db2.gz CIDPDTPQVUURMB-CVEARBPZSA-N 1 3 312.502 2.233 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000645509427 407287455 /nfs/dbraw/zinc/28/74/55/407287455.db2.gz CIDPDTPQVUURMB-CVEARBPZSA-N 1 3 312.502 2.233 20 0 DEADHO C[C@@H](NC1CCN([C@@H](C)c2ccncc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422971489 287013910 /nfs/dbraw/zinc/01/39/10/287013910.db2.gz YKUMRSHLQQWBPJ-VKJFTORMSA-N 1 3 302.466 2.337 20 0 DEADHO COC[C@H](O)CNCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000570794264 292506620 /nfs/dbraw/zinc/50/66/20/292506620.db2.gz GTUSMPOARGJSFB-GPMSIDNRSA-N 1 3 320.477 2.261 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000366346235 287274266 /nfs/dbraw/zinc/27/42/66/287274266.db2.gz KLBRRPFAYMILIU-ZACQAIPSSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000366346235 287274267 /nfs/dbraw/zinc/27/42/67/287274267.db2.gz KLBRRPFAYMILIU-ZACQAIPSSA-N 1 3 307.482 2.242 20 0 DEADHO c1cc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc2c1OCO2 ZINC000571752937 292569946 /nfs/dbraw/zinc/56/99/46/292569946.db2.gz AMEDNYRXMILBLH-BZUAXINKSA-N 1 3 302.418 2.468 20 0 DEADHO CN(C)C1(CN(C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCC1 ZINC000189645181 225058542 /nfs/dbraw/zinc/05/85/42/225058542.db2.gz ZPHFHKYTARVHBW-UHFFFAOYSA-N 1 3 324.513 2.421 20 0 DEADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cc(F)ccc2OC)CC1 ZINC000291266971 222271498 /nfs/dbraw/zinc/27/14/98/222271498.db2.gz STLHMLURZYAFBD-OAHLLOKOSA-N 1 3 323.456 2.198 20 0 DEADHO C[C@H]1[C@@H](NC(=O)NCC[NH2+]C2CCCCCC2)CCCN1C ZINC000418003778 229181964 /nfs/dbraw/zinc/18/19/64/229181964.db2.gz NHJLYQZXKLIEIP-HOCLYGCPSA-N 1 3 310.486 2.081 20 0 DEADHO C[C@@]1(CNC(=O)NCCCC[NH3+])CCCN1Cc1ccccc1 ZINC000418049484 229203115 /nfs/dbraw/zinc/20/31/15/229203115.db2.gz XUIAEDUTKLLVSH-SFHVURJKSA-N 1 3 318.465 2.079 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000418191045 229261645 /nfs/dbraw/zinc/26/16/45/229261645.db2.gz XCIGTUZCPVQLEL-FMKPAKJESA-N 1 3 306.454 2.104 20 0 DEADHO CSc1ccc([C@@H](CNC(=O)NCCCC[NH3+])N(C)C)cc1 ZINC000418234701 229278780 /nfs/dbraw/zinc/27/87/80/229278780.db2.gz QORJNCAADVKGII-OAHLLOKOSA-N 1 3 324.494 2.049 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cccc(CN2CCOCC2)c1 ZINC000422695374 230167827 /nfs/dbraw/zinc/16/78/27/230167827.db2.gz PROCETKTIBUWKF-OALUTQOASA-N 1 3 317.477 2.126 20 0 DEADHO Cc1cc(C)n(CCCN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])n1 ZINC000422768717 230199374 /nfs/dbraw/zinc/19/93/74/230199374.db2.gz ZQPQPFGCUUURSD-WMZOPIPTSA-N 1 3 300.450 2.438 20 0 DEADHO NC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000422902966 230268675 /nfs/dbraw/zinc/26/86/75/230268675.db2.gz VJUIPNNCCQECRO-QAPCUYQASA-N 1 3 302.466 2.153 20 0 DEADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000422909484 230273762 /nfs/dbraw/zinc/27/37/62/230273762.db2.gz OEGFGNBEIIESCV-MJBXVCDLSA-N 1 3 323.506 2.296 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCCc1nc2c(s1)CCCC2 ZINC000422909484 230273767 /nfs/dbraw/zinc/27/37/67/230273767.db2.gz OEGFGNBEIIESCV-MJBXVCDLSA-N 1 3 323.506 2.296 20 0 DEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCNC(=O)c1ccc(F)cc1 ZINC000422959244 230296890 /nfs/dbraw/zinc/29/68/90/230296890.db2.gz REIGAWDNUADIKR-HOCLYGCPSA-N 1 3 307.413 2.053 20 0 DEADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cccc(CN2CCCC2=O)c1 ZINC000422961517 230298357 /nfs/dbraw/zinc/29/83/57/230298357.db2.gz ZAELHEOPFYPLPE-ZWKOTPCHSA-N 1 3 315.461 2.416 20 0 DEADHO C[C@@H](CCC[NH3+])N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000423025090 230322192 /nfs/dbraw/zinc/32/21/92/230322192.db2.gz NMJMVDPJVCZEHQ-HZMBPMFUSA-N 1 3 313.804 2.301 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC000634457066 424844028 /nfs/dbraw/zinc/84/40/28/424844028.db2.gz QMPYPNSHMKCHQK-KRWDZBQOSA-N 1 3 303.450 2.026 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC000634457066 424844030 /nfs/dbraw/zinc/84/40/30/424844030.db2.gz QMPYPNSHMKCHQK-KRWDZBQOSA-N 1 3 303.450 2.026 20 0 DEADHO C[C@@H](CCN[C@@H]1CCCNC(=O)C1)[N@H+](C)Cc1ccccc1 ZINC000379653842 424908071 /nfs/dbraw/zinc/90/80/71/424908071.db2.gz GURVRFRNFQWZAM-DOTOQJQBSA-N 1 3 303.450 2.155 20 0 DEADHO C[C@@H](CCN[C@@H]1CCCNC(=O)C1)[N@@H+](C)Cc1ccccc1 ZINC000379653842 424908074 /nfs/dbraw/zinc/90/80/74/424908074.db2.gz GURVRFRNFQWZAM-DOTOQJQBSA-N 1 3 303.450 2.155 20 0 DEADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000380945333 424908442 /nfs/dbraw/zinc/90/84/42/424908442.db2.gz OMMWOPLVTDMCOH-RYQLBKOJSA-N 1 3 315.461 2.013 20 0 DEADHO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CCCCN1C1CCCC1 ZINC000648922188 424929373 /nfs/dbraw/zinc/92/93/73/424929373.db2.gz XDDYRYGNFUSCHD-AEFFLSMTSA-N 1 3 319.493 2.384 20 0 DEADHO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CCCCN1C1CCCC1 ZINC000648922188 424929374 /nfs/dbraw/zinc/92/93/74/424929374.db2.gz XDDYRYGNFUSCHD-AEFFLSMTSA-N 1 3 319.493 2.384 20 0 DEADHO CC(C)([NH3+])CCC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000649292662 424985040 /nfs/dbraw/zinc/98/50/40/424985040.db2.gz XKVRDNSSUKQPRV-UHFFFAOYSA-N 1 3 317.477 2.457 20 0 DEADHO C[C@@H](CNC(=O)N(C)CCN1CCCCC1)[N@@H+]1CCCC[C@H]1C ZINC000650642370 425029782 /nfs/dbraw/zinc/02/97/82/425029782.db2.gz ALFOZIXKJDDWBH-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H](CNC(=O)N(C)CCN1CCCCC1)[N@H+]1CCCC[C@H]1C ZINC000650642370 425029784 /nfs/dbraw/zinc/02/97/84/425029784.db2.gz ALFOZIXKJDDWBH-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)N[C@@H](C)CN1CCCCC1 ZINC000650647432 425030830 /nfs/dbraw/zinc/03/08/30/425030830.db2.gz VJWHIDQZUCYLEA-INIZCTEOSA-N 1 3 312.502 2.138 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)N[C@@H](C)CN1CCCCC1 ZINC000650647432 425030831 /nfs/dbraw/zinc/03/08/31/425030831.db2.gz VJWHIDQZUCYLEA-INIZCTEOSA-N 1 3 312.502 2.138 20 0 DEADHO Cn1cc([C@@H](NCCC2(C[NH3+])CC2)c2cccc(F)c2)cn1 ZINC000650746115 425046535 /nfs/dbraw/zinc/04/65/35/425046535.db2.gz WHEXGQYEWXXQIX-INIZCTEOSA-N 1 3 302.397 2.367 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NCCC[N@H+](C)CC(C)C ZINC000650864801 425069029 /nfs/dbraw/zinc/06/90/29/425069029.db2.gz DXTMEQXMUVEOSB-INIZCTEOSA-N 1 3 312.502 2.138 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NCCC[N@@H+](C)CC(C)C ZINC000650864801 425069032 /nfs/dbraw/zinc/06/90/32/425069032.db2.gz DXTMEQXMUVEOSB-INIZCTEOSA-N 1 3 312.502 2.138 20 0 DEADHO c1csc(N2CCCN(CCCC3CC[NH2+]CC3)CC2)n1 ZINC000649411821 425013946 /nfs/dbraw/zinc/01/39/46/425013946.db2.gz GZSCZSDHCDORBY-UHFFFAOYSA-N 1 3 308.495 2.435 20 0 DEADHO CCN1C[C@H](CN(C)CC[C@H]2CC[NH2+]C2)Oc2ccccc21 ZINC000649411412 425014116 /nfs/dbraw/zinc/01/41/16/425014116.db2.gz UXNPNZYJXKOGGG-CVEARBPZSA-N 1 3 303.450 2.205 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N(C)CCN1CCCCC1 ZINC000651110723 425103349 /nfs/dbraw/zinc/10/33/49/425103349.db2.gz DMNJKOZBVRACQF-INIZCTEOSA-N 1 3 312.502 2.234 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N(C)CCN1CCCCC1 ZINC000651110723 425103350 /nfs/dbraw/zinc/10/33/50/425103350.db2.gz DMNJKOZBVRACQF-INIZCTEOSA-N 1 3 312.502 2.234 20 0 DEADHO CCN(C(=O)NCC1([NH+](C)C)CCCCCC1)[C@@H]1CCN(C)C1 ZINC000663475428 425166269 /nfs/dbraw/zinc/16/62/69/425166269.db2.gz XJYQIRTWHBGGFQ-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000663482212 425168943 /nfs/dbraw/zinc/16/89/43/425168943.db2.gz QGUVIJXQHQXUDQ-HOTGVXAUSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000663482212 425168948 /nfs/dbraw/zinc/16/89/48/425168948.db2.gz QGUVIJXQHQXUDQ-HOTGVXAUSA-N 1 3 324.513 2.423 20 0 DEADHO C[N@@H+]1CC[C@]2(CCN(C[C@@H]3CCCN(C(=O)C(C)(C)C)C3)C2)C1 ZINC000660616594 425177968 /nfs/dbraw/zinc/17/79/68/425177968.db2.gz NYWLBMKPOXWFRY-LPHOPBHVSA-N 1 3 321.509 2.299 20 0 DEADHO C[N@H+]1CC[C@]2(CCN(C[C@@H]3CCCN(C(=O)C(C)(C)C)C3)C2)C1 ZINC000660616594 425177972 /nfs/dbraw/zinc/17/79/72/425177972.db2.gz NYWLBMKPOXWFRY-LPHOPBHVSA-N 1 3 321.509 2.299 20 0 DEADHO O=C1CC[C@H](CN2CCC([NH2+]Cc3ccccc3)CC2)CCN1 ZINC000660678933 425205148 /nfs/dbraw/zinc/20/51/48/425205148.db2.gz GVBUBDJQIGHAQA-KRWDZBQOSA-N 1 3 315.461 2.157 20 0 DEADHO CCN1C[C@@H](C[NH2+]C2CCN(C3CCCCC3)CC2)CC1=O ZINC000651998369 425158462 /nfs/dbraw/zinc/15/84/62/425158462.db2.gz PEVCAWLHKMRXMV-OAHLLOKOSA-N 1 3 307.482 2.242 20 0 DEADHO OCC1(N(CCC[N@H+](C2CC2)C2(CO)CCC2)C2CC2)CCC1 ZINC000660772765 425231197 /nfs/dbraw/zinc/23/11/97/425231197.db2.gz MCFCIXOELQBLDZ-UHFFFAOYSA-N 1 3 322.493 2.135 20 0 DEADHO OCC1(N(CCC[N@@H+](C2CC2)C2(CO)CCC2)C2CC2)CCC1 ZINC000660772765 425231202 /nfs/dbraw/zinc/23/12/02/425231202.db2.gz MCFCIXOELQBLDZ-UHFFFAOYSA-N 1 3 322.493 2.135 20 0 DEADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(CCOc3ccccc3F)C2)C1 ZINC000652346012 425243149 /nfs/dbraw/zinc/24/31/49/425243149.db2.gz RCHWOCJQQQCFDT-DAYGRLMNSA-N 1 3 322.424 2.423 20 0 DEADHO COc1cccc(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)c1 ZINC000652352209 425245457 /nfs/dbraw/zinc/24/54/57/425245457.db2.gz SMFFOTGGNLOCNT-KSSFIOAISA-N 1 3 317.433 2.085 20 0 DEADHO COc1cccc(NC(=O)CC[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)c1 ZINC000652352209 425245461 /nfs/dbraw/zinc/24/54/61/425245461.db2.gz SMFFOTGGNLOCNT-KSSFIOAISA-N 1 3 317.433 2.085 20 0 DEADHO Fc1ccccc1C[C@@H]1CCCCN1CCN1CC[NH2+]CC1 ZINC000652358622 425246912 /nfs/dbraw/zinc/24/69/12/425246912.db2.gz XUBMQZRPQIXISO-KRWDZBQOSA-N 1 3 305.441 2.128 20 0 DEADHO C[C@@H]1CCC[N@H+](CCC(=O)N2CCc3ccccc32)[C@H]1CCN ZINC000652354306 425248339 /nfs/dbraw/zinc/24/83/39/425248339.db2.gz SWQSNRGNBCARSA-WBVHZDCISA-N 1 3 315.461 2.415 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCC(=O)N2CCc3ccccc32)[C@H]1CCN ZINC000652354306 425248340 /nfs/dbraw/zinc/24/83/40/425248340.db2.gz SWQSNRGNBCARSA-WBVHZDCISA-N 1 3 315.461 2.415 20 0 DEADHO C[C@@H]1CCCN(CCC(=O)N2CCc3ccccc32)[C@H]1CC[NH3+] ZINC000652354306 425248342 /nfs/dbraw/zinc/24/83/42/425248342.db2.gz SWQSNRGNBCARSA-WBVHZDCISA-N 1 3 315.461 2.415 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000661242807 425358806 /nfs/dbraw/zinc/35/88/06/425358806.db2.gz UIEBNXMXDBPDCB-MRXNPFEDSA-N 1 3 310.486 2.036 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)cc1 ZINC000653049104 425388677 /nfs/dbraw/zinc/38/86/77/425388677.db2.gz TZAPEHDCVNGJET-KZNAEPCWSA-N 1 3 315.461 2.457 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)cc1 ZINC000653049102 425389315 /nfs/dbraw/zinc/38/93/15/425389315.db2.gz TZAPEHDCVNGJET-FGTMMUONSA-N 1 3 315.461 2.457 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000661370756 425393424 /nfs/dbraw/zinc/39/34/24/425393424.db2.gz TWIYBSKIWNCWIW-ARFHVFGLSA-N 1 3 322.497 2.175 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000661370756 425393427 /nfs/dbraw/zinc/39/34/27/425393427.db2.gz TWIYBSKIWNCWIW-ARFHVFGLSA-N 1 3 322.497 2.175 20 0 DEADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@H]1CCC[NH2+]CC1 ZINC000653106175 425406125 /nfs/dbraw/zinc/40/61/25/425406125.db2.gz WLRXQNLCTBNDSI-GJZGRUSLSA-N 1 3 321.490 2.391 20 0 DEADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)C1 ZINC000653113111 425407626 /nfs/dbraw/zinc/40/76/26/425407626.db2.gz SXOZHIZBULIWIL-FVQBIDKESA-N 1 3 307.482 2.144 20 0 DEADHO CCCCN1CCCC[C@@H]1CNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653113993 425409220 /nfs/dbraw/zinc/40/92/20/425409220.db2.gz VHTWDFRVWZFLQU-BRWVUGGUSA-N 1 3 307.482 2.288 20 0 DEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000664919689 425478952 /nfs/dbraw/zinc/47/89/52/425478952.db2.gz IFDFHDKJQXDEDY-CVEARBPZSA-N 1 3 312.502 2.233 20 0 DEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000664919689 425478956 /nfs/dbraw/zinc/47/89/56/425478956.db2.gz IFDFHDKJQXDEDY-CVEARBPZSA-N 1 3 312.502 2.233 20 0 DEADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000657969978 425422755 /nfs/dbraw/zinc/42/27/55/425422755.db2.gz XHZVIAFFQCJIAU-QZTJIDSGSA-N 1 3 316.445 2.054 20 0 DEADHO CN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654735732 425428186 /nfs/dbraw/zinc/42/81/86/425428186.db2.gz UGQLMCKUDYOYOA-DLBZAZTESA-N 1 3 322.497 2.131 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN(C(C)(C)C)C2)C1 ZINC000661509123 425430175 /nfs/dbraw/zinc/43/01/75/425430175.db2.gz XSQOQZDXIRDMIU-HOTGVXAUSA-N 1 3 324.513 2.233 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN(C(C)(C)C)C2)C1 ZINC000661509123 425430180 /nfs/dbraw/zinc/43/01/80/425430180.db2.gz XSQOQZDXIRDMIU-HOTGVXAUSA-N 1 3 324.513 2.233 20 0 DEADHO CC(=O)NCc1ccc(C[NH2+]C2CCN(C(C)C)CC2)cc1 ZINC000658074178 425434736 /nfs/dbraw/zinc/43/47/36/425434736.db2.gz RGADLCWZKAJRPN-UHFFFAOYSA-N 1 3 303.450 2.285 20 0 DEADHO CC(C)(C)N1CC[C@@H]([NH2+]C2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000658095727 425437293 /nfs/dbraw/zinc/43/72/93/425437293.db2.gz KPDSQFFALXCOCH-SJORKVTESA-N 1 3 309.498 2.092 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2C[C@H](O)C23CCC3)[C@@H](C)C1 ZINC000658255707 425462912 /nfs/dbraw/zinc/46/29/12/425462912.db2.gz SHEYUTMWLWZLJD-NXOAAHMSSA-N 1 3 310.482 2.017 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2C[C@H](O)C23CCC3)[C@@H](C)C1 ZINC000658255707 425462915 /nfs/dbraw/zinc/46/29/15/425462915.db2.gz SHEYUTMWLWZLJD-NXOAAHMSSA-N 1 3 310.482 2.017 20 0 DEADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000661897225 425521669 /nfs/dbraw/zinc/52/16/69/425521669.db2.gz HZEUJGNKEHFGCG-DLBZAZTESA-N 1 3 324.513 2.138 20 0 DEADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000661897225 425521672 /nfs/dbraw/zinc/52/16/72/425521672.db2.gz HZEUJGNKEHFGCG-DLBZAZTESA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H](C[C@H]1CCCCCN1)[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000665235614 425526017 /nfs/dbraw/zinc/52/60/17/425526017.db2.gz XGHIIBSRTBXOHQ-LSDHHAIUSA-N 1 3 316.511 2.102 20 0 DEADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCC1(CS(C)(=O)=O)CC1 ZINC000665235614 425526019 /nfs/dbraw/zinc/52/60/19/425526019.db2.gz XGHIIBSRTBXOHQ-LSDHHAIUSA-N 1 3 316.511 2.102 20 0 DEADHO C[C@@H]([NH2+]CC1(N)CCCC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000665248151 425528420 /nfs/dbraw/zinc/52/84/20/425528420.db2.gz QHYVMKZEAXAMFS-AEFFLSMTSA-N 1 3 317.477 2.310 20 0 DEADHO CC(=O)N1CC[C@H]([NH2+]CC2(N)CCCC2)c2ccccc2C1 ZINC000665247704 425528531 /nfs/dbraw/zinc/52/85/31/425528531.db2.gz ILEBVQWTDGXZGP-KRWDZBQOSA-N 1 3 301.434 2.341 20 0 DEADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H]2CCCOCC2)cc1F ZINC000665259534 425530578 /nfs/dbraw/zinc/53/05/78/425530578.db2.gz IKFYKWWGXXYFND-ZOBUZTSGSA-N 1 3 322.424 2.439 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000664935883 425482406 /nfs/dbraw/zinc/48/24/06/425482406.db2.gz MZDGDSWYAQKNGK-HOTGVXAUSA-N 1 3 312.502 2.233 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000664935883 425482407 /nfs/dbraw/zinc/48/24/07/425482407.db2.gz MZDGDSWYAQKNGK-HOTGVXAUSA-N 1 3 312.502 2.233 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCN2C(C)(C)C)[C@H](C)C1 ZINC000665363343 425554453 /nfs/dbraw/zinc/55/44/53/425554453.db2.gz XUDZZKKRZYKLSF-PMPSAXMXSA-N 1 3 324.513 2.231 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCN2C(C)(C)C)[C@H](C)C1 ZINC000665363343 425554455 /nfs/dbraw/zinc/55/44/55/425554455.db2.gz XUDZZKKRZYKLSF-PMPSAXMXSA-N 1 3 324.513 2.231 20 0 DEADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000665364779 425555268 /nfs/dbraw/zinc/55/52/68/425555268.db2.gz WZDOPCBIMSMUPJ-CVEARBPZSA-N 1 3 324.513 2.375 20 0 DEADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000665364779 425555269 /nfs/dbraw/zinc/55/52/69/425555269.db2.gz WZDOPCBIMSMUPJ-CVEARBPZSA-N 1 3 324.513 2.375 20 0 DEADHO CN[C@@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000655444235 425567832 /nfs/dbraw/zinc/56/78/32/425567832.db2.gz QQDJCXVZXYPPFV-CABCVRRESA-N 1 3 303.450 2.285 20 0 DEADHO CN[C@@H](C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000655444235 425567836 /nfs/dbraw/zinc/56/78/36/425567836.db2.gz QQDJCXVZXYPPFV-CABCVRRESA-N 1 3 303.450 2.285 20 0 DEADHO COC[C@H](C[N@@H+]1CCCC[C@H]1[C@H](CN)Cc1ccccc1)OC ZINC000662271059 425610757 /nfs/dbraw/zinc/61/07/57/425610757.db2.gz QEURHGQYBKXQMX-FHWLQOOXSA-N 1 3 320.477 2.320 20 0 DEADHO CO[C@H](C[NH+]1CCC(N2CC[C@H](O)C2)CC1)C1CCCCC1 ZINC000662148892 425574186 /nfs/dbraw/zinc/57/41/86/425574186.db2.gz LIMCTALNNRDZAF-ZWKOTPCHSA-N 1 3 310.482 2.113 20 0 DEADHO COC[C@H](C[N@H+]1CCCC[C@H]1[C@H](CN)Cc1ccccc1)OC ZINC000662271059 425610760 /nfs/dbraw/zinc/61/07/60/425610760.db2.gz QEURHGQYBKXQMX-FHWLQOOXSA-N 1 3 320.477 2.320 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000655494628 425581898 /nfs/dbraw/zinc/58/18/98/425581898.db2.gz LSBUFLLCBBCCCJ-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CN(Cc1ccc(OC(F)F)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250075 425602018 /nfs/dbraw/zinc/60/20/18/425602018.db2.gz XISSNTMTBNPUFS-CQSZACIVSA-N 1 3 312.360 2.241 20 0 DEADHO COc1ccc([C@@H]2CC[N@H+](C[C@@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662256090 425603649 /nfs/dbraw/zinc/60/36/49/425603649.db2.gz FVZVIDBVPQZOKT-WBVHZDCISA-N 1 3 302.418 2.006 20 0 DEADHO COc1ccc([C@@H]2CC[N@@H+](C[C@@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662256090 425603652 /nfs/dbraw/zinc/60/36/52/425603652.db2.gz FVZVIDBVPQZOKT-WBVHZDCISA-N 1 3 302.418 2.006 20 0 DEADHO CCCCN(C)CCNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659454506 425607834 /nfs/dbraw/zinc/60/78/34/425607834.db2.gz JSDVKAGQGZRLHL-KRWDZBQOSA-N 1 3 324.513 2.140 20 0 DEADHO C[C@@H](CNC(=O)c1cc2c(s1)CCNC2)[NH+]1CCC(C)CC1 ZINC000662417810 425645603 /nfs/dbraw/zinc/64/56/03/425645603.db2.gz MWUSJBXQAIPPJA-ZDUSSCGKSA-N 1 3 321.490 2.244 20 0 DEADHO C[NH+]1CCC(CCNC(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662432216 425650087 /nfs/dbraw/zinc/65/00/87/425650087.db2.gz MDPBNZSBGYIADD-QGZVFWFLSA-N 1 3 301.434 2.069 20 0 DEADHO C[C@@H](CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)N(C)C1CC1 ZINC000662442384 425650685 /nfs/dbraw/zinc/65/06/85/425650685.db2.gz SDZXZLMCILNVJB-BBRMVZONSA-N 1 3 315.461 2.278 20 0 DEADHO Cc1cc(NC(=O)CNC(C)C)ccc1OCC[NH+]1CCCC1 ZINC000662466269 425658092 /nfs/dbraw/zinc/65/80/92/425658092.db2.gz DXZSJBVNIPVIGR-UHFFFAOYSA-N 1 3 319.449 2.406 20 0 DEADHO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]C[C@H]2C[C@@H](N(C)C)C2)cc1 ZINC000655804861 425659385 /nfs/dbraw/zinc/65/93/85/425659385.db2.gz DQXCERIUZKZLPB-OAGGEKHMSA-N 1 3 324.490 2.087 20 0 DEADHO C[C@@H](NC(=O)c1cc2c(s1)CCNC2)C(C)(C)C[NH+](C)C ZINC000662473875 425659548 /nfs/dbraw/zinc/65/95/48/425659548.db2.gz OTJKRGBWQZWDCI-LLVKDONJSA-N 1 3 309.479 2.100 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cccc3c2CNC3)C1 ZINC000662482153 425662838 /nfs/dbraw/zinc/66/28/38/425662838.db2.gz TVJJLPGHCFQSMF-AWEZNQCLSA-N 1 3 301.434 2.094 20 0 DEADHO O=C(c1cccc2c1CNC2)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662524072 425673785 /nfs/dbraw/zinc/67/37/85/425673785.db2.gz UDYAHEDTSBUEEX-GOEBONIOSA-N 1 3 313.445 2.142 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc2c(s1)CCNC2 ZINC000662532281 425675564 /nfs/dbraw/zinc/67/55/64/425675564.db2.gz PFRLXBXQAPXDOB-LBPRGKRZSA-N 1 3 309.479 2.244 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc2c(s1)CCNC2 ZINC000662532281 425675568 /nfs/dbraw/zinc/67/55/68/425675568.db2.gz PFRLXBXQAPXDOB-LBPRGKRZSA-N 1 3 309.479 2.244 20 0 DEADHO C[C@@H]([NH2+]C[C@@H]1CCC2(CNC2)O1)c1ccc(OC(F)F)cc1 ZINC000662281774 425612548 /nfs/dbraw/zinc/61/25/48/425612548.db2.gz LZVVNPQEAHDFKI-RISCZKNCSA-N 1 3 312.360 2.460 20 0 DEADHO C[NH2+]C[C@H](C)NC(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000659483248 425613307 /nfs/dbraw/zinc/61/33/07/425613307.db2.gz VUOMBHOOFDURDI-DOTOQJQBSA-N 1 3 320.481 2.050 20 0 DEADHO C[C@@]1(c2cccc(F)c2)CCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662285820 425613700 /nfs/dbraw/zinc/61/37/00/425613700.db2.gz NLSCQBAXYSENKJ-IAGOWNOFSA-N 1 3 304.409 2.310 20 0 DEADHO CNC(=O)c1cccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000662290984 425614479 /nfs/dbraw/zinc/61/44/79/425614479.db2.gz ASERTTQVSNRREG-SFHVURJKSA-N 1 3 315.461 2.258 20 0 DEADHO C[C@H](C(=O)N1CCCCCC1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295246 425615289 /nfs/dbraw/zinc/61/52/89/425615289.db2.gz GGKLXEDMORMHDH-SJLPKXTDSA-N 1 3 321.509 2.489 20 0 DEADHO CN(C(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1)C1CCCCC1 ZINC000662294298 425615568 /nfs/dbraw/zinc/61/55/68/425615568.db2.gz KTDACMFWEIYXHN-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO O=C(CN1CCC[C@H](C2CC[NH2+]CC2)C1)NCC1CCCCC1 ZINC000662292825 425615874 /nfs/dbraw/zinc/61/58/74/425615874.db2.gz AGEKTZBCQYYAQO-SFHVURJKSA-N 1 3 321.509 2.395 20 0 DEADHO C[C@H]1CCCCN1C(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293236 425616318 /nfs/dbraw/zinc/61/63/18/425616318.db2.gz DSZZMFZFBMSAFG-DOTOQJQBSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1CCCC[C@H]1NC(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295736 425616517 /nfs/dbraw/zinc/61/65/17/425616517.db2.gz RZEQHUWMTDNTNY-BPQIPLTHSA-N 1 3 321.509 2.393 20 0 DEADHO CC(C)N(C(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1)C(C)C ZINC000662293253 425616650 /nfs/dbraw/zinc/61/66/50/425616650.db2.gz FCLZZWMSIWSOSJ-KRWDZBQOSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](CNC(=O)C[C@H]1NCc2ccccc21)C[NH+]1CCCCC1 ZINC000662394146 425639930 /nfs/dbraw/zinc/63/99/30/425639930.db2.gz BEHQTSDAUKDSBT-CRAIPNDOSA-N 1 3 315.461 2.459 20 0 DEADHO Cc1ccc(CN(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)o1 ZINC000665762981 425640678 /nfs/dbraw/zinc/64/06/78/425640678.db2.gz WLBQISPYYUNGHN-AWEZNQCLSA-N 1 3 324.469 2.001 20 0 DEADHO Cc1ccc(CN(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)o1 ZINC000665762981 425640680 /nfs/dbraw/zinc/64/06/80/425640680.db2.gz WLBQISPYYUNGHN-AWEZNQCLSA-N 1 3 324.469 2.001 20 0 DEADHO CC[C@@H]1C[C@H](C)CN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665759413 425641092 /nfs/dbraw/zinc/64/10/92/425641092.db2.gz FZZBAWHNNZWSBO-HRCADAONSA-N 1 3 312.502 2.088 20 0 DEADHO CC[C@@H]1C[C@H](C)CN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665759413 425641097 /nfs/dbraw/zinc/64/10/97/425641097.db2.gz FZZBAWHNNZWSBO-HRCADAONSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)CC[C@H]1C ZINC000665760097 425641341 /nfs/dbraw/zinc/64/13/41/425641341.db2.gz ZEAGCBLDTCEVIK-OWCLPIDISA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)CC[C@H]1C ZINC000665760097 425641344 /nfs/dbraw/zinc/64/13/44/425641344.db2.gz ZEAGCBLDTCEVIK-OWCLPIDISA-N 1 3 312.502 2.088 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000655909195 425681668 /nfs/dbraw/zinc/68/16/68/425681668.db2.gz CCXFAPZTQYDMRB-UHFFFAOYSA-N 1 3 304.438 2.483 20 0 DEADHO O=C(Nc1ccc2c(c1)CNC2)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655909166 425681724 /nfs/dbraw/zinc/68/17/24/425681724.db2.gz BILKRKDNGJUOFU-IAGOWNOFSA-N 1 3 314.433 2.428 20 0 DEADHO O=C(Nc1ccc2c(c1)CNC2)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655909166 425681726 /nfs/dbraw/zinc/68/17/26/425681726.db2.gz BILKRKDNGJUOFU-IAGOWNOFSA-N 1 3 314.433 2.428 20 0 DEADHO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@H]1CNCc2ccccc21 ZINC000662835856 425743758 /nfs/dbraw/zinc/74/37/58/425743758.db2.gz SMSMHCVGLZTCMT-KSZLIROESA-N 1 3 313.445 2.007 20 0 DEADHO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@H]1CNCc2ccccc21 ZINC000662835856 425743760 /nfs/dbraw/zinc/74/37/60/425743760.db2.gz SMSMHCVGLZTCMT-KSZLIROESA-N 1 3 313.445 2.007 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662598408 425690394 /nfs/dbraw/zinc/69/03/94/425690394.db2.gz VJJXGLADQKOZJF-IRXDYDNUSA-N 1 3 307.482 2.099 20 0 DEADHO [NH3+]C[C@H]1CN(CCc2noc3ccccc32)CC12CCOCC2 ZINC000655941692 425692700 /nfs/dbraw/zinc/69/27/00/425692700.db2.gz ZMBYGUZPWZKLLY-AWEZNQCLSA-N 1 3 315.417 2.058 20 0 DEADHO C[C@@H](CNC(=O)c1cccc2c1CCNC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000662679548 425710728 /nfs/dbraw/zinc/71/07/28/425710728.db2.gz QGUBTJMROQXNML-CABCVRRESA-N 1 3 315.461 2.183 20 0 DEADHO C[C@@H](CNC(=O)c1cccc2c1CCNC2)[N@H+]1CCC[C@@H](C)C1 ZINC000662679548 425710731 /nfs/dbraw/zinc/71/07/31/425710731.db2.gz QGUBTJMROQXNML-CABCVRRESA-N 1 3 315.461 2.183 20 0 DEADHO C[C@H]1CCC[C@](CNC(=O)C2(N)CC3(CCC3)C2)([NH+](C)C)C1 ZINC000662692230 425713287 /nfs/dbraw/zinc/71/32/87/425713287.db2.gz NAQPFNMSZLPIEG-YOEHRIQHSA-N 1 3 307.482 2.275 20 0 DEADHO CCN(C(=O)[C@H]1C[C@H]([NH3+])C1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000662693866 425714045 /nfs/dbraw/zinc/71/40/45/425714045.db2.gz MJOOKWVSDNVSCE-VDHUWJSZSA-N 1 3 315.461 2.408 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000662720402 425721624 /nfs/dbraw/zinc/72/16/24/425721624.db2.gz ZIROTKUIXUKRBP-KRWDZBQOSA-N 1 3 303.450 2.107 20 0 DEADHO CC1(C)CC[NH2+][C@H]1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000662737952 425725837 /nfs/dbraw/zinc/72/58/37/425725837.db2.gz RTMNJRFHGVSUOT-SJORKVTESA-N 1 3 315.461 2.155 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2CC2CCCC2)C1 ZINC000656194567 425728012 /nfs/dbraw/zinc/72/80/12/425728012.db2.gz KNEDCBLEJIIOEI-SJORKVTESA-N 1 3 307.482 2.228 20 0 DEADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]2CC2CCCC2)C1 ZINC000656194567 425728016 /nfs/dbraw/zinc/72/80/16/425728016.db2.gz KNEDCBLEJIIOEI-SJORKVTESA-N 1 3 307.482 2.228 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2CC2CCCC2)C1 ZINC000656194564 425728405 /nfs/dbraw/zinc/72/84/05/425728405.db2.gz KNEDCBLEJIIOEI-DLBZAZTESA-N 1 3 307.482 2.228 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]2CC2CCCC2)C1 ZINC000656194564 425728408 /nfs/dbraw/zinc/72/84/08/425728408.db2.gz KNEDCBLEJIIOEI-DLBZAZTESA-N 1 3 307.482 2.228 20 0 DEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200559 425729360 /nfs/dbraw/zinc/72/93/60/425729360.db2.gz QNYACZSPVCTGQE-WKULXVSPSA-N 1 3 311.514 2.385 20 0 DEADHO N[C@@H](CC(=O)NCC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000662973116 425768428 /nfs/dbraw/zinc/76/84/28/425768428.db2.gz WMVDTOCXYMNWGJ-SFHVURJKSA-N 1 3 315.461 2.315 20 0 DEADHO CC[C@](C)(N)c1cn(C[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656468686 425775728 /nfs/dbraw/zinc/77/57/28/425775728.db2.gz RAXHPMLNXYGWCI-WMZOPIPTSA-N 1 3 313.449 2.384 20 0 DEADHO CC[C@](C)(N)c1cn(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656468686 425775732 /nfs/dbraw/zinc/77/57/32/425775732.db2.gz RAXHPMLNXYGWCI-WMZOPIPTSA-N 1 3 313.449 2.384 20 0 DEADHO Cc1cscc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000666420675 425748898 /nfs/dbraw/zinc/74/88/98/425748898.db2.gz IZOWDCGPHFTPOT-ZDUSSCGKSA-N 1 3 312.483 2.450 20 0 DEADHO Cc1cscc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000666420675 425748902 /nfs/dbraw/zinc/74/89/02/425748902.db2.gz IZOWDCGPHFTPOT-ZDUSSCGKSA-N 1 3 312.483 2.450 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000662867264 425751912 /nfs/dbraw/zinc/75/19/12/425751912.db2.gz JPFRCELRWPZTDA-CWLKWCNXSA-N 1 3 315.461 2.121 20 0 DEADHO CCCN1CCC[C@H]1C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662883422 425756072 /nfs/dbraw/zinc/75/60/72/425756072.db2.gz JUYQONKRZBKWEV-DLBZAZTESA-N 1 3 317.433 2.160 20 0 DEADHO CC(C)[C@@H](CNc1[nH+]ccc2[nH]ccc21)N1CCN(C)CC1 ZINC000663376310 425833631 /nfs/dbraw/zinc/83/36/31/425833631.db2.gz HJEOZDULQHAWLJ-MRXNPFEDSA-N 1 3 301.438 2.247 20 0 DEADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cn[nH]c1 ZINC000397512586 269106933 /nfs/dbraw/zinc/10/69/33/269106933.db2.gz PNGOQPNZCUCWSS-OAHLLOKOSA-N 1 3 314.433 2.087 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@H]2CN(C)C(=O)O2)CC1 ZINC000495732928 269173056 /nfs/dbraw/zinc/17/30/56/269173056.db2.gz YKLIVBJYVMXCIC-NVXWUHKLSA-N 1 3 323.481 2.414 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@H]2CN(C)C(=O)O2)CC1 ZINC000495732928 269173058 /nfs/dbraw/zinc/17/30/58/269173058.db2.gz YKLIVBJYVMXCIC-NVXWUHKLSA-N 1 3 323.481 2.414 20 0 DEADHO CCOC(=O)N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000496220691 269205678 /nfs/dbraw/zinc/20/56/78/269205678.db2.gz ZMPJWFYSACQZQV-XUWVNRHRSA-N 1 3 309.454 2.118 20 0 DEADHO O=C1O[C@@]2(CN1CN1CC[C@@H]3CCCC[C@@H]31)C[NH+]1CCC2CC1 ZINC000496326761 269212247 /nfs/dbraw/zinc/21/22/47/269212247.db2.gz LWWJREUTNGGGIM-QILLFSRXSA-N 1 3 319.449 2.125 20 0 DEADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)CN(C)C ZINC000512432919 269321223 /nfs/dbraw/zinc/32/12/23/269321223.db2.gz UXCOFSGRNGLFPQ-XHSDSOJGSA-N 1 3 312.502 2.136 20 0 DEADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](c1cccs1)N1CCOCC1 ZINC000514667060 269327246 /nfs/dbraw/zinc/32/72/46/269327246.db2.gz MKPQGXCKGZIPBU-ARFHVFGLSA-N 1 3 323.506 2.229 20 0 DEADHO OC[C@H](CC1CCC1)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000514854719 269333988 /nfs/dbraw/zinc/33/39/88/269333988.db2.gz CLXMZDUFRURLAE-KVSKMBFKSA-N 1 3 316.445 2.383 20 0 DEADHO CC(C)(C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H](N)c1ccccc1 ZINC000516916598 269372386 /nfs/dbraw/zinc/37/23/86/269372386.db2.gz XVGDEGDHENMOLY-GVDBMIGSSA-N 1 3 315.461 2.217 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000517739156 269391512 /nfs/dbraw/zinc/39/15/12/269391512.db2.gz LKXFVKVHPUOAEW-HZPDHXFCSA-N 1 3 307.482 2.097 20 0 DEADHO COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H](C)CN1CCCC1)CO2 ZINC000295928870 274127315 /nfs/dbraw/zinc/12/73/15/274127315.db2.gz KFQBJJJIPNFNRQ-ZBFHGGJFSA-N 1 3 304.434 2.320 20 0 DEADHO C(CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)O[C@H]1CCCCO1 ZINC000248850432 275393500 /nfs/dbraw/zinc/39/35/00/275393500.db2.gz WDMVRZXKYJQQEZ-SZMVWBNQSA-N 1 3 308.466 2.478 20 0 DEADHO C(CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)O[C@H]1CCCCO1 ZINC000248850432 275393501 /nfs/dbraw/zinc/39/35/01/275393501.db2.gz WDMVRZXKYJQQEZ-SZMVWBNQSA-N 1 3 308.466 2.478 20 0 DEADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC000362774271 276157639 /nfs/dbraw/zinc/15/76/39/276157639.db2.gz OZLHPTGKWCSAHU-MRXNPFEDSA-N 1 3 303.450 2.352 20 0 DEADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC000362774271 276157641 /nfs/dbraw/zinc/15/76/41/276157641.db2.gz OZLHPTGKWCSAHU-MRXNPFEDSA-N 1 3 303.450 2.352 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000360079793 276173048 /nfs/dbraw/zinc/17/30/48/276173048.db2.gz UHUPLAMJALRVQU-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000360079793 276173049 /nfs/dbraw/zinc/17/30/49/276173049.db2.gz UHUPLAMJALRVQU-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3CCCCN3)C2)CC1 ZINC000236624984 276198290 /nfs/dbraw/zinc/19/82/90/276198290.db2.gz YOKPWVXVQLRDFM-IRXDYDNUSA-N 1 3 307.482 2.099 20 0 DEADHO CCN1CC[C@H]([NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)[C@@H](C)C1 ZINC000305763543 276228262 /nfs/dbraw/zinc/22/82/62/276228262.db2.gz ARCKGCZLPIRYJM-KANFNMMFSA-N 1 3 323.525 2.074 20 0 DEADHO CCN1CCC([N@@H+]2CCCN(C[C@@H]3CCCCO3)CC2)CC1 ZINC000420985751 276359102 /nfs/dbraw/zinc/35/91/02/276359102.db2.gz WSDUTYKUQXINRH-SFHVURJKSA-N 1 3 309.498 2.048 20 0 DEADHO CCN1CCC([N@H+]2CCCN(C[C@@H]3CCCCO3)CC2)CC1 ZINC000420985751 276359104 /nfs/dbraw/zinc/35/91/04/276359104.db2.gz WSDUTYKUQXINRH-SFHVURJKSA-N 1 3 309.498 2.048 20 0 DEADHO COCC[N@H+](C)CCCN[C@H](C)c1ccc(NC(C)=O)cc1 ZINC000181943676 277211758 /nfs/dbraw/zinc/21/17/58/277211758.db2.gz CQCLIUCBGYBGSZ-CQSZACIVSA-N 1 3 307.438 2.264 20 0 DEADHO COCC[N@@H+](C)CCCN[C@H](C)c1ccc(NC(C)=O)cc1 ZINC000181943676 277211759 /nfs/dbraw/zinc/21/17/59/277211759.db2.gz CQCLIUCBGYBGSZ-CQSZACIVSA-N 1 3 307.438 2.264 20 0 DEADHO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420344572 278145451 /nfs/dbraw/zinc/14/54/51/278145451.db2.gz UDLMHHIPXOZRQF-KYHPRHEASA-N 1 3 321.509 2.343 20 0 DEADHO CC(CN(CC(C)(C)O)C1CC1)C[N@H+](CC(C)(C)O)C1CC1 ZINC000426761633 278156012 /nfs/dbraw/zinc/15/60/12/278156012.db2.gz CCWMEEFJYWBAEV-UHFFFAOYSA-N 1 3 312.498 2.093 20 0 DEADHO CC(CN(CC(C)(C)O)C1CC1)C[N@@H+](CC(C)(C)O)C1CC1 ZINC000426761633 278156013 /nfs/dbraw/zinc/15/60/13/278156013.db2.gz CCWMEEFJYWBAEV-UHFFFAOYSA-N 1 3 312.498 2.093 20 0 DEADHO C[C@H](NC(=O)N(C)C1CC[NH2+]CC1)[C@H](c1ccccc1)N(C)C ZINC000418182048 278236584 /nfs/dbraw/zinc/23/65/84/278236584.db2.gz LXFYVPMMCAXFRO-WMLDXEAASA-N 1 3 318.465 2.071 20 0 DEADHO CC(C)(C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)[C@H](N)c1ccccc1 ZINC000332305552 278270259 /nfs/dbraw/zinc/27/02/59/278270259.db2.gz GQMMRRGZWVNREU-VVLHAWIVSA-N 1 3 315.461 2.298 20 0 DEADHO C[C@@H]([NH2+]C1CCN(c2nc3ccccc3s2)CC1)C1CNC1 ZINC000422936681 278336624 /nfs/dbraw/zinc/33/66/24/278336624.db2.gz FPIOXFGHTKGAEY-GFCCVEGCSA-N 1 3 316.474 2.463 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CCCC[NH2+]2)N2CCCC2)cc1 ZINC000166326894 278844369 /nfs/dbraw/zinc/84/43/69/278844369.db2.gz QOXRAIKQVWJWBG-ZWKOTPCHSA-N 1 3 315.461 2.390 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)C[C@@H](N)c2ccccc2)C1 ZINC000119742324 279123505 /nfs/dbraw/zinc/12/35/05/279123505.db2.gz BQPPUTGBAPHWLL-DOTOQJQBSA-N 1 3 303.450 2.267 20 0 DEADHO CC(C)C[C@H](CN(C)C)NC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449332302 279132017 /nfs/dbraw/zinc/13/20/17/279132017.db2.gz QWIHJISNELTWLQ-IEBWSBKVSA-N 1 3 317.477 2.010 20 0 DEADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NC1CCN(C)CC1 ZINC000431869858 279133657 /nfs/dbraw/zinc/13/36/57/279133657.db2.gz GYRNGYBJCFLVAK-WBVHZDCISA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCC(NC(=O)C[N@@H+]2CCCC23CCCCC3)CC1 ZINC000340238227 279259531 /nfs/dbraw/zinc/25/95/31/279259531.db2.gz SCIMUGBMBWLELS-UHFFFAOYSA-N 1 3 307.482 2.386 20 0 DEADHO CCN1CCC(NC(=O)C[N@H+]2CCCC23CCCCC3)CC1 ZINC000340238227 279259532 /nfs/dbraw/zinc/25/95/32/279259532.db2.gz SCIMUGBMBWLELS-UHFFFAOYSA-N 1 3 307.482 2.386 20 0 DEADHO C[C@H](CC[NH3+])NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418538731 279259613 /nfs/dbraw/zinc/25/96/13/279259613.db2.gz FGCSDCBHTZEISB-NVXWUHKLSA-N 1 3 318.465 2.030 20 0 DEADHO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC000354812577 279316776 /nfs/dbraw/zinc/31/67/76/279316776.db2.gz GGXKVQNEHAIYSK-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC000354812577 279316777 /nfs/dbraw/zinc/31/67/77/279316777.db2.gz GGXKVQNEHAIYSK-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCCC[C@H]1C ZINC000430739841 279341888 /nfs/dbraw/zinc/34/18/88/279341888.db2.gz AMSYWSUWUAYZCZ-MTSZKFMLSA-N 1 3 307.482 2.286 20 0 DEADHO C[C@@H]1CN(CC2CC[NH+](CC[C@H]3CCCO3)CC2)C[C@@H](C)O1 ZINC000249390705 288153491 /nfs/dbraw/zinc/15/34/91/288153491.db2.gz RVLRORBPUCEPCS-JFIYKMOQSA-N 1 3 310.482 2.377 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCCCC1 ZINC000361112981 280181225 /nfs/dbraw/zinc/18/12/25/280181225.db2.gz WZEZFQLGSODEIU-GVDBMIGSSA-N 1 3 307.482 2.001 20 0 DEADHO CC(C)[C@H]([NH3+])CNC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000418386926 280284003 /nfs/dbraw/zinc/28/40/03/280284003.db2.gz SCKUPGDUGYOWSD-MRXNPFEDSA-N 1 3 312.502 2.123 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)N1CC[C@](C)(C[NH3+])C1)c1ccco1 ZINC000418169373 280749893 /nfs/dbraw/zinc/74/98/93/280749893.db2.gz PWYSVQASQAZBJA-GRDNDAEWSA-N 1 3 322.453 2.089 20 0 DEADHO CC1(C)CCCN[C@H]1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000423431522 280997880 /nfs/dbraw/zinc/99/78/80/280997880.db2.gz VNVFNHQDZXCNRR-CVEARBPZSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000458758076 281359853 /nfs/dbraw/zinc/35/98/53/281359853.db2.gz FMXPGXCWAGOVIR-ZMSDIMECSA-N 1 3 320.481 2.236 20 0 DEADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCC([NH3+])CC1)N(C)C ZINC000418179831 281362061 /nfs/dbraw/zinc/36/20/61/281362061.db2.gz JXBXCLOHXUJQSQ-WMLDXEAASA-N 1 3 318.465 2.119 20 0 DEADHO CN(C(=O)[C@]1(C)CC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000261532292 281867754 /nfs/dbraw/zinc/86/77/54/281867754.db2.gz ACEWPKWXMVYSSX-LJQANCHMSA-N 1 3 315.461 2.109 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)C[C@H]1CC[NH2+]C1)c1ccsc1 ZINC000130421446 281939319 /nfs/dbraw/zinc/93/93/19/281939319.db2.gz KYQFCSYQIZUCBS-HIFRSBDPSA-N 1 3 309.479 2.247 20 0 DEADHO C[NH+](C)C/C=C\C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000491893489 282023481 /nfs/dbraw/zinc/02/34/81/282023481.db2.gz PBEYDUCORZZYBR-BMWLXYDHSA-N 1 3 307.463 2.119 20 0 DEADHO C[NH+](C)CC[C@@H](NC(=O)NC1CCN(C2CC2)CC1)C(C)(C)C ZINC000116415987 289178856 /nfs/dbraw/zinc/17/88/56/289178856.db2.gz HQRRMYKMZBQNGE-MRXNPFEDSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420323145 289247109 /nfs/dbraw/zinc/24/71/09/289247109.db2.gz FTRTZHKYNGARGI-BRWVUGGUSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CCC2(C1)CC[NH2+]CC2 ZINC000358507588 289362183 /nfs/dbraw/zinc/36/21/83/289362183.db2.gz KYAWAWKFAJGXIU-BZUAXINKSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000359325252 289364744 /nfs/dbraw/zinc/36/47/44/289364744.db2.gz SOOBLDXTECAVLM-QKPAOTATSA-N 1 3 307.482 2.381 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000359325252 289364745 /nfs/dbraw/zinc/36/47/45/289364745.db2.gz SOOBLDXTECAVLM-QKPAOTATSA-N 1 3 307.482 2.381 20 0 DEADHO CN1CCC2(CCCN2C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000367433112 289375826 /nfs/dbraw/zinc/37/58/26/289375826.db2.gz SZYLFYJQLBBKKN-CVEARBPZSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCCN(C)C1CC1 ZINC000352662646 290385283 /nfs/dbraw/zinc/38/52/83/290385283.db2.gz BBUOLJZTYYSHIY-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCCN(C)C1CC1 ZINC000352662646 290385287 /nfs/dbraw/zinc/38/52/87/290385287.db2.gz BBUOLJZTYYSHIY-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO COC[C@H](Cc1ccccc1)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278712897 293114934 /nfs/dbraw/zinc/11/49/34/293114934.db2.gz VRDWETPWPPCLHS-HKUYNNGSSA-N 1 3 320.477 2.335 20 0 DEADHO COC[C@H](Cc1ccccc1)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000278712897 293114939 /nfs/dbraw/zinc/11/49/39/293114939.db2.gz VRDWETPWPPCLHS-HKUYNNGSSA-N 1 3 320.477 2.335 20 0 DEADHO N[C@@H](CC1CCCCC1)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423647603 295293838 /nfs/dbraw/zinc/29/38/38/295293838.db2.gz XZYDYHWJJPSNGR-SJORKVTESA-N 1 3 307.482 2.132 20 0 DEADHO N[C@@H]1CCC[C@@H]1[NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000422941051 295307475 /nfs/dbraw/zinc/30/74/75/295307475.db2.gz HMLZKIPXDIXDEP-IXDOHACOSA-N 1 3 323.868 2.183 20 0 DEADHO N[C@@H]1CCC[C@H]1[NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000422941048 295315603 /nfs/dbraw/zinc/31/56/03/295315603.db2.gz HMLZKIPXDIXDEP-BRWVUGGUSA-N 1 3 323.868 2.183 20 0 DEADHO [NH3+][C@H]1CCCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000416842061 295334470 /nfs/dbraw/zinc/33/44/70/295334470.db2.gz MPAZNXDKYGJWCS-KBPBESRZSA-N 1 3 322.478 2.018 20 0 DEADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000351700398 298269135 /nfs/dbraw/zinc/26/91/35/298269135.db2.gz RBPIJXFSLYIUFV-JKSUJKDBSA-N 1 3 324.513 2.090 20 0 DEADHO Cc1cccc(C[C@H](CO)[NH2+][C@H](C)c2ccc(CN)nc2C)c1 ZINC000423060308 301985897 /nfs/dbraw/zinc/98/58/97/301985897.db2.gz OEEFKBFVBNKISK-CRAIPNDOSA-N 1 3 313.445 2.411 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262539428 303479898 /nfs/dbraw/zinc/47/98/98/303479898.db2.gz QWIOQQVQIVIDIN-DLBZAZTESA-N 1 3 307.482 2.371 20 0 DEADHO O=C(CN1CCC2(CC[NH2+]C2)CC1)N1CCC[C@H]2CCCC[C@H]21 ZINC000431043765 303603981 /nfs/dbraw/zinc/60/39/81/303603981.db2.gz SDTWQXIWHSEDAD-IAGOWNOFSA-N 1 3 319.493 2.243 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](CC[C@@H](C)F)CC1(C)C ZINC001424514967 1173817283 /nfs/dbraw/zinc/81/72/83/1173817283.db2.gz RYVDRJMKGLXAPN-CABCVRRESA-N 1 3 315.477 2.293 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](CC[C@@H](C)F)CC1(C)C ZINC001424514967 1173817286 /nfs/dbraw/zinc/81/72/86/1173817286.db2.gz RYVDRJMKGLXAPN-CABCVRRESA-N 1 3 315.477 2.293 20 0 DEADHO CN(C)[C@@H](CNC(=O)c1ccccc1CC[NH3+])c1ccccc1 ZINC000322066075 325753884 /nfs/dbraw/zinc/75/38/84/325753884.db2.gz ZFXTVKNILKQKMK-SFHVURJKSA-N 1 3 311.429 2.221 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccnc(OC2CCOCC2)c1 ZINC000572951653 326002184 /nfs/dbraw/zinc/00/21/84/326002184.db2.gz KWBZYWGPWIDSTJ-NVXWUHKLSA-N 1 3 319.449 2.247 20 0 DEADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)COc2c(C)cccc2C)C1 ZINC000573358791 326049309 /nfs/dbraw/zinc/04/93/09/326049309.db2.gz STDFIGWSVCJILF-MSOLQXFVSA-N 1 3 320.477 2.365 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@H](O)Cc2ccc(F)cc2)C1 ZINC000574032694 326116259 /nfs/dbraw/zinc/11/62/59/326116259.db2.gz PPDGYCLBDUPTHR-FUHWJXTLSA-N 1 3 308.441 2.439 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H](CNC[C@H](O)Cc2ccc(F)cc2)C1 ZINC000574032694 326116261 /nfs/dbraw/zinc/11/62/61/326116261.db2.gz PPDGYCLBDUPTHR-FUHWJXTLSA-N 1 3 308.441 2.439 20 0 DEADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000574032694 326116263 /nfs/dbraw/zinc/11/62/63/326116263.db2.gz PPDGYCLBDUPTHR-FUHWJXTLSA-N 1 3 308.441 2.439 20 0 DEADHO N[C@@H](CC1CCCCC1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000577363680 326360583 /nfs/dbraw/zinc/36/05/83/326360583.db2.gz FMDOMADWCKGFEY-KRWDZBQOSA-N 1 3 307.482 2.275 20 0 DEADHO CN(CC(=O)N1C[C@@H]([NH2+]C/C=C/Cl)C(C)(C)C1)C1CCC1 ZINC001369440967 1148989482 /nfs/dbraw/zinc/98/94/82/1148989482.db2.gz PQNDSPTYQVFTAQ-LHRNQBEKSA-N 1 3 313.873 2.050 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC2CCCC2)C(C)(C)C1 ZINC001369441303 1148989732 /nfs/dbraw/zinc/98/97/32/1148989732.db2.gz HFUJAOXTUFLQPI-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@H]1Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000583988564 331517539 /nfs/dbraw/zinc/51/75/39/331517539.db2.gz CEUVIPXTEHXORK-PKOBYXMFSA-N 1 3 317.477 2.430 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H]2C[C@H](OC)C2(CC)CC)CC1 ZINC000181492597 333169705 /nfs/dbraw/zinc/16/97/05/333169705.db2.gz CFIZSNACLZURLJ-SJORKVTESA-N 1 3 311.514 2.197 20 0 DEADHO COc1cccc([C@H](CN[C@H]2CCC[C@H]2[NH3+])N2CCCC2)c1 ZINC000582116301 333290215 /nfs/dbraw/zinc/29/02/15/333290215.db2.gz QDCILICFYFUWPP-SQNIBIBYSA-N 1 3 303.450 2.302 20 0 DEADHO COc1cccc([C@H](C[NH2+][C@H]2CCC[C@H]2N)N2CCCC2)c1 ZINC000582116301 333290216 /nfs/dbraw/zinc/29/02/16/333290216.db2.gz QDCILICFYFUWPP-SQNIBIBYSA-N 1 3 303.450 2.302 20 0 DEADHO CC(C)[NH2+]CC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388518613 333319650 /nfs/dbraw/zinc/31/96/50/333319650.db2.gz QBJBBANKFFGOBI-QGZVFWFLSA-N 1 3 303.450 2.107 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC000390906379 336949310 /nfs/dbraw/zinc/94/93/10/336949310.db2.gz UNBBXLGKATWSLM-GOSISDBHSA-N 1 3 315.461 2.254 20 0 DEADHO CN(C[C@@H]1CCN1CCCC1CCCC1)C(=O)CC[NH+](C)C ZINC001396997701 1159894292 /nfs/dbraw/zinc/89/42/92/1159894292.db2.gz WTGMZRXHEGBKEC-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](C[C@@H](C)CC)CC[C@@H]2C1 ZINC001397217475 1160058643 /nfs/dbraw/zinc/05/86/43/1160058643.db2.gz NDMMVLIAVUTEQC-BBWFWOEESA-N 1 3 309.498 2.155 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](C[C@@H](C)CC)CC[C@@H]2C1 ZINC001397217475 1160058651 /nfs/dbraw/zinc/05/86/51/1160058651.db2.gz NDMMVLIAVUTEQC-BBWFWOEESA-N 1 3 309.498 2.155 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001398985557 1161177537 /nfs/dbraw/zinc/17/75/37/1161177537.db2.gz VHHFNWOTPYJOES-CZUORRHYSA-N 1 3 309.429 2.069 20 0 DEADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000447956854 533821238 /nfs/dbraw/zinc/82/12/38/533821238.db2.gz WEVZWUNSIGOFMP-JKSUJKDBSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)NC[C@H](N)c1ccccc1 ZINC000418037279 533823422 /nfs/dbraw/zinc/82/34/22/533823422.db2.gz GIQUXXQWIDAYFP-RDJZCZTQSA-N 1 3 318.465 2.250 20 0 DEADHO C[C@H](NCC1(N2CCSCC2)CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422710006 533836440 /nfs/dbraw/zinc/83/64/40/533836440.db2.gz KPZSRYGWGUBWRN-HOTGVXAUSA-N 1 3 311.539 2.468 20 0 DEADHO C[C@H](NCc1ccc(OCCN(C)C)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422896813 533922948 /nfs/dbraw/zinc/92/29/48/533922948.db2.gz IPNXXNRAPQKYFI-YJBOKZPZSA-N 1 3 305.466 2.247 20 0 DEADHO C[C@H](C[NH3+])CNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000417695116 534040805 /nfs/dbraw/zinc/04/08/05/534040805.db2.gz TYCDZZBAJDXQRG-CABCVRRESA-N 1 3 318.465 2.106 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1cccc(N2CCOCC2)c1 ZINC000423133026 534074943 /nfs/dbraw/zinc/07/49/43/534074943.db2.gz JYCLHENZJLHQQG-CRAIPNDOSA-N 1 3 303.450 2.001 20 0 DEADHO COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N ZINC000423028001 534204241 /nfs/dbraw/zinc/20/42/41/534204241.db2.gz SFEUGSJUSRPDGL-LVQVYYBASA-N 1 3 322.449 2.052 20 0 DEADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(F)cc1 ZINC001378856461 1152469465 /nfs/dbraw/zinc/46/94/65/1152469465.db2.gz ISJOLJISQAGOPI-AWEZNQCLSA-N 1 3 309.429 2.102 20 0 DEADHO C/C(=C/c1ccccc1)C[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000105474674 518414939 /nfs/dbraw/zinc/41/49/39/518414939.db2.gz BYDLYIVNMSJPFB-BBLCHGJFSA-N 1 3 315.461 2.267 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@]2(C)CCCO)CC1 ZINC000337323273 519681702 /nfs/dbraw/zinc/68/17/02/519681702.db2.gz SFLOUXBBHBKOTN-SFHVURJKSA-N 1 3 311.514 2.030 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@]2(C)CCCO)CC1 ZINC000337323273 519681704 /nfs/dbraw/zinc/68/17/04/519681704.db2.gz SFLOUXBBHBKOTN-SFHVURJKSA-N 1 3 311.514 2.030 20 0 DEADHO CC[N@H+](Cc1ccc(C(=O)NC[C@H](C)N(C)C)cc1)C1CC1 ZINC000338030559 521303020 /nfs/dbraw/zinc/30/30/20/521303020.db2.gz LHHRLBHMNRZNNJ-AWEZNQCLSA-N 1 3 303.450 2.351 20 0 DEADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@H](C)N(C)C)cc1)C1CC1 ZINC000338030559 521303028 /nfs/dbraw/zinc/30/30/28/521303028.db2.gz LHHRLBHMNRZNNJ-AWEZNQCLSA-N 1 3 303.450 2.351 20 0 DEADHO CC[C@H](C)[C@@H]([NH3+])C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000245957081 521830383 /nfs/dbraw/zinc/83/03/83/521830383.db2.gz MBZPVIZBNUPOGE-JJRVBVJISA-N 1 3 318.465 2.097 20 0 DEADHO C[NH+](C)Cc1ccc(CNC(=O)NCCN2CCCCC2)cc1 ZINC000339345314 521907595 /nfs/dbraw/zinc/90/75/95/521907595.db2.gz GJVAVDBDHYPBTE-UHFFFAOYSA-N 1 3 318.465 2.033 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1CCC[N@H+](CCC(C)C)C1 ZINC001402084932 1162241165 /nfs/dbraw/zinc/24/11/65/1162241165.db2.gz VVXRKRVLQMORSQ-JKSUJKDBSA-N 1 3 315.477 2.293 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1CCC[N@@H+](CCC(C)C)C1 ZINC001402084932 1162241168 /nfs/dbraw/zinc/24/11/68/1162241168.db2.gz VVXRKRVLQMORSQ-JKSUJKDBSA-N 1 3 315.477 2.293 20 0 DEADHO CCc1cc(OC)ccc1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000337262726 523837384 /nfs/dbraw/zinc/83/73/84/523837384.db2.gz RADXRVDCIDUOKU-UHFFFAOYSA-N 1 3 319.493 2.373 20 0 DEADHO C[C@@H](C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000248998643 524137036 /nfs/dbraw/zinc/13/70/36/524137036.db2.gz IEYGXNMWXYGFNC-XHSDSOJGSA-N 1 3 303.450 2.093 20 0 DEADHO Cc1ccccc1CCNC(=O)[C@@H](C)N1CCC[C@H](CC[NH3+])C1 ZINC000443057859 534809437 /nfs/dbraw/zinc/80/94/37/534809437.db2.gz IJYDULSJSODSGO-IAGOWNOFSA-N 1 3 317.477 2.103 20 0 DEADHO C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000248994901 524852375 /nfs/dbraw/zinc/85/23/75/524852375.db2.gz HQUAZIAIMHGEJL-QBYUYEEZSA-N 1 3 303.450 2.139 20 0 DEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(-n2ccnc2)c(F)c1 ZINC000105480460 524899947 /nfs/dbraw/zinc/89/99/47/524899947.db2.gz XDBNXIONFQTQTR-CJNGLKHVSA-N 1 3 302.397 2.441 20 0 DEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(-n2ccnc2)c(F)c1 ZINC000105480460 524899956 /nfs/dbraw/zinc/89/99/56/524899956.db2.gz XDBNXIONFQTQTR-CJNGLKHVSA-N 1 3 302.397 2.441 20 0 DEADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)NC[C@H](O)C[NH+](C)C ZINC000154312294 526179610 /nfs/dbraw/zinc/17/96/10/526179610.db2.gz XDJJJBKJJCTRMA-AGIUHOORSA-N 1 3 307.463 2.300 20 0 DEADHO CC(C)(C(=O)NCC1(C)CC[NH2+]CC1)[C@H](N)c1ccccc1 ZINC000417812641 527515083 /nfs/dbraw/zinc/51/50/83/527515083.db2.gz PZHVSKVUIHTTGO-OAHLLOKOSA-N 1 3 303.450 2.219 20 0 DEADHO CCN1CCN(c2cccc(NC[C@@]3(C)CC[NH2+]C3)c2)CC1 ZINC000415116842 527712273 /nfs/dbraw/zinc/71/22/73/527712273.db2.gz ZXEOIIFYDSILPB-SFHVURJKSA-N 1 3 302.466 2.240 20 0 DEADHO CCCN(C(=O)NCCN1CCCC[C@H]1CC)[C@H]1CC[NH2+]C1 ZINC000417709963 527752419 /nfs/dbraw/zinc/75/24/19/527752419.db2.gz XBWZOGALJYMCSR-CVEARBPZSA-N 1 3 310.486 2.034 20 0 DEADHO CCN(CC)C(=O)CCC[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422954383 528010708 /nfs/dbraw/zinc/01/07/08/528010708.db2.gz HLWRMXGPLIKERC-CYBMUJFWSA-N 1 3 306.454 2.148 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418367485 528084033 /nfs/dbraw/zinc/08/40/33/528084033.db2.gz LJWIIUOQKZMANT-INIZCTEOSA-N 1 3 310.486 2.036 20 0 DEADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C[C@@H]1COCCN1 ZINC000422840540 528172143 /nfs/dbraw/zinc/17/21/43/528172143.db2.gz TXZOCMNXBLLOKP-FJIDUMEYSA-N 1 3 311.514 2.244 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000418233447 528311766 /nfs/dbraw/zinc/31/17/66/528311766.db2.gz GQLYITUUMZVSDQ-RDJZCZTQSA-N 1 3 324.513 2.266 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N(C)CC(C)(C)C[NH3+] ZINC000418235783 528313241 /nfs/dbraw/zinc/31/32/41/528313241.db2.gz LKXGEDBJFYNLIP-HNNXBMFYSA-N 1 3 312.502 2.123 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418233934 528313617 /nfs/dbraw/zinc/31/36/17/528313617.db2.gz HUMXDPHKAPTUAP-WMZOPIPTSA-N 1 3 324.513 2.186 20 0 DEADHO CC[NH2+][C@H](C)CNC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000418166678 528409885 /nfs/dbraw/zinc/40/98/85/528409885.db2.gz LHMNFDLRRHSQMO-MJBXVCDLSA-N 1 3 310.442 2.006 20 0 DEADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000429180925 528528888 /nfs/dbraw/zinc/52/88/88/528528888.db2.gz JRHBARQRSIAYTF-RDJZCZTQSA-N 1 3 321.440 2.137 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCCCC[NH3+] ZINC000418504640 528778589 /nfs/dbraw/zinc/77/85/89/528778589.db2.gz AVQSPSUWWVQFKB-UHFFFAOYSA-N 1 3 306.454 2.019 20 0 DEADHO CCCC[C@@H](N)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000442710837 528835167 /nfs/dbraw/zinc/83/51/67/528835167.db2.gz CRVBIDQSRBZTDJ-OAHLLOKOSA-N 1 3 320.437 2.033 20 0 DEADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@@H](N)c1ccccc1CC ZINC000418443553 528943280 /nfs/dbraw/zinc/94/32/80/528943280.db2.gz LLWJUEBZFYZIJU-GDBMZVCRSA-N 1 3 306.454 2.066 20 0 DEADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000447954880 528999158 /nfs/dbraw/zinc/99/91/58/528999158.db2.gz NBLGEFNPWFQOIP-CVEARBPZSA-N 1 3 324.513 2.280 20 0 DEADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000447954880 528999161 /nfs/dbraw/zinc/99/91/61/528999161.db2.gz NBLGEFNPWFQOIP-CVEARBPZSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)[C@H]([NH3+])CCN(C)CCCOc1ccc2c(c1)OCO2 ZINC000430561302 529046839 /nfs/dbraw/zinc/04/68/39/529046839.db2.gz ZVCXXYJRYANSDV-OAHLLOKOSA-N 1 3 308.422 2.489 20 0 DEADHO CC1(C)C[C@@H](NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CO1 ZINC000417977640 529139630 /nfs/dbraw/zinc/13/96/30/529139630.db2.gz HDFWNBFAUNAUQJ-QZTJIDSGSA-N 1 3 318.461 2.300 20 0 DEADHO CC1(C)C[C@@H](NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)CO1 ZINC000417977640 529139632 /nfs/dbraw/zinc/13/96/32/529139632.db2.gz HDFWNBFAUNAUQJ-QZTJIDSGSA-N 1 3 318.461 2.300 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N1CCCC[C@H]1C[NH3+])c1ccco1 ZINC000418165458 529182315 /nfs/dbraw/zinc/18/23/15/529182315.db2.gz JNQPJQFDKZMSRH-SOUVJXGZSA-N 1 3 322.453 2.232 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)c1ccco1 ZINC000418159334 529182659 /nfs/dbraw/zinc/18/26/59/529182659.db2.gz CEFJHIXOMUJOFU-LJISPDSOSA-N 1 3 322.453 2.088 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000417696033 529272656 /nfs/dbraw/zinc/27/26/56/529272656.db2.gz GKVJUPGIWLWEEC-ARFHVFGLSA-N 1 3 310.486 2.020 20 0 DEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCNC(C)(C)C2)C1 ZINC000417580092 529296901 /nfs/dbraw/zinc/29/69/01/529296901.db2.gz CEUBNJQJWSTFQB-OAHLLOKOSA-N 1 3 324.513 2.280 20 0 DEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCNC(C)(C)C2)C1 ZINC000417580092 529296903 /nfs/dbraw/zinc/29/69/03/529296903.db2.gz CEUBNJQJWSTFQB-OAHLLOKOSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)[C@H](CN[C@H](C)C[C@@H]1CCCCC[NH2+]1)N1CCN(C)CC1 ZINC000321029380 535021227 /nfs/dbraw/zinc/02/12/27/535021227.db2.gz WMIBLVNNXOQGQO-QYZOEREBSA-N 1 3 324.557 2.159 20 0 DEADHO CC(C)N1CCC([NH2+][C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000370652418 535161713 /nfs/dbraw/zinc/16/17/13/535161713.db2.gz NZPZOAUBCQOLIS-GOSISDBHSA-N 1 3 315.461 2.250 20 0 DEADHO CCN1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000358940379 535535115 /nfs/dbraw/zinc/53/51/15/535535115.db2.gz VRIDGOYTQZNXSB-HZPDHXFCSA-N 1 3 307.482 2.242 20 0 DEADHO CCN1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000358940379 535535116 /nfs/dbraw/zinc/53/51/16/535535116.db2.gz VRIDGOYTQZNXSB-HZPDHXFCSA-N 1 3 307.482 2.242 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000246577352 535600706 /nfs/dbraw/zinc/60/07/06/535600706.db2.gz ZQCMCRTZOAJCQS-DLBZAZTESA-N 1 3 318.465 2.073 20 0 DEADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000246577352 535600708 /nfs/dbraw/zinc/60/07/08/535600708.db2.gz ZQCMCRTZOAJCQS-DLBZAZTESA-N 1 3 318.465 2.073 20 0 DEADHO CCN(C(=O)CN1CCC([C@@H]2CC[NH2+]C2)CC1)C1CCCCC1 ZINC000357066045 535662545 /nfs/dbraw/zinc/66/25/45/535662545.db2.gz BLZBYVPALPSTFT-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CN(C)CCN1CCC([NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348260638 535871637 /nfs/dbraw/zinc/87/16/37/535871637.db2.gz CWERZUNDSDOGHR-IEBWSBKVSA-N 1 3 301.478 2.406 20 0 DEADHO CCc1cccc(Cl)c1CN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261919723 535888457 /nfs/dbraw/zinc/88/84/57/535888457.db2.gz KGGOLYGLEYGMJV-CQSZACIVSA-N 1 3 323.868 2.189 20 0 DEADHO CN(C)CCOc1cccc(NC(=O)C[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000261870823 535909698 /nfs/dbraw/zinc/90/96/98/535909698.db2.gz LJNLVPUINUCEBJ-RHSMWYFYSA-N 1 3 319.449 2.473 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCCC3(CC[NH2+]CC3)C2)c1 ZINC000375255886 536022712 /nfs/dbraw/zinc/02/27/12/536022712.db2.gz KBCLARHSRWVFKE-UHFFFAOYSA-N 1 3 315.461 2.354 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000458166812 536024975 /nfs/dbraw/zinc/02/49/75/536024975.db2.gz MJNJNPYDIYLFDC-HNNXBMFYSA-N 1 3 303.450 2.210 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000458166812 536024982 /nfs/dbraw/zinc/02/49/82/536024982.db2.gz MJNJNPYDIYLFDC-HNNXBMFYSA-N 1 3 303.450 2.210 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000362577892 536041675 /nfs/dbraw/zinc/04/16/75/536041675.db2.gz RHPSSKKUOFXZAD-UHFFFAOYSA-N 1 3 315.461 2.352 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000377351226 536042653 /nfs/dbraw/zinc/04/26/53/536042653.db2.gz WTVCKFFJVASNOB-ALOPSCKCSA-N 1 3 315.461 2.493 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000377351226 536042661 /nfs/dbraw/zinc/04/26/61/536042661.db2.gz WTVCKFFJVASNOB-ALOPSCKCSA-N 1 3 315.461 2.493 20 0 DEADHO CN(C)Cc1ccccc1CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000262396861 536046560 /nfs/dbraw/zinc/04/65/60/536046560.db2.gz BZOZAVYYDHVQQW-WMLDXEAASA-N 1 3 303.450 2.272 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccco1 ZINC000359550926 536173798 /nfs/dbraw/zinc/17/37/98/536173798.db2.gz YVXHUXCWERUIDC-OFQRWUPVSA-N 1 3 309.454 2.411 20 0 DEADHO COC1(C[NH+]2CCC(CN3CCN(C)CC3)CC2)CCCCC1 ZINC000349063058 536622960 /nfs/dbraw/zinc/62/29/60/536622960.db2.gz OTFXMUGZOUPBTF-UHFFFAOYSA-N 1 3 323.525 2.295 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@@H](NC(=O)Cc1nc[nH]c1C)C(C)(C)C ZINC001426144655 1174616058 /nfs/dbraw/zinc/61/60/58/1174616058.db2.gz GSGMLVHNXHYXIG-IUODEOHRSA-N 1 3 308.470 2.427 20 0 DEADHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCc1ccccc1 ZINC001368738028 1148628713 /nfs/dbraw/zinc/62/87/13/1148628713.db2.gz VCJHHMCVIYHYFA-SJORKVTESA-N 1 3 317.477 2.055 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CC[N@H+]1CC1CCC1)N1CCCCC1 ZINC001379976569 1152722975 /nfs/dbraw/zinc/72/29/75/1152722975.db2.gz WGMMPBYYHIQEEG-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[N@H+](C)CC1CCC1 ZINC001380989457 1152890485 /nfs/dbraw/zinc/89/04/85/1152890485.db2.gz OAWAWXNJAATCOK-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[N@@H+](C)CC1CCC1 ZINC001380989457 1152890488 /nfs/dbraw/zinc/89/04/88/1152890488.db2.gz OAWAWXNJAATCOK-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)CN1[C@H](C)CC[C@H]1C ZINC001363375558 1153368943 /nfs/dbraw/zinc/36/89/43/1153368943.db2.gz ZQCRAHQPSLLHSB-ZACQAIPSSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC001382164861 1153384739 /nfs/dbraw/zinc/38/47/39/1153384739.db2.gz KHJPXQWOQKCBAE-CQSZACIVSA-N 1 3 309.429 2.102 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001008166236 625368161 /nfs/dbraw/zinc/36/81/61/625368161.db2.gz ZELURJKQWQBLGL-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001008166236 625368166 /nfs/dbraw/zinc/36/81/66/625368166.db2.gz ZELURJKQWQBLGL-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000925654315 625530248 /nfs/dbraw/zinc/53/02/48/625530248.db2.gz AQPHFTPWCKFBQK-YPPUGPRSSA-N 1 3 312.816 2.442 20 0 DEADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000925654315 625530251 /nfs/dbraw/zinc/53/02/51/625530251.db2.gz AQPHFTPWCKFBQK-YPPUGPRSSA-N 1 3 312.816 2.442 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001020586146 622925211 /nfs/dbraw/zinc/92/52/11/622925211.db2.gz GMXICZBKSNTEKI-XIRDDKMYSA-N 1 3 305.466 2.208 20 0 DEADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1)c1ccccc1 ZINC001020590001 622929673 /nfs/dbraw/zinc/92/96/73/622929673.db2.gz JTBGAJMCPMZOEY-CYGHRXIMSA-N 1 3 315.461 2.326 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC000969949702 623015965 /nfs/dbraw/zinc/01/59/65/623015965.db2.gz XFOCRXIXUOIPEI-FUHWJXTLSA-N 1 3 315.461 2.170 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC000969950869 623016443 /nfs/dbraw/zinc/01/64/43/623016443.db2.gz KHWIPUXHZGFAOT-DOTOQJQBSA-N 1 3 305.466 2.162 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC[C@@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC000969965149 623024030 /nfs/dbraw/zinc/02/40/30/623024030.db2.gz MMGCZSPSRNTZOV-QGZVFWFLSA-N 1 3 319.493 2.409 20 0 DEADHO CCc1ccccc1C[NH2+][C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC000969992429 623042448 /nfs/dbraw/zinc/04/24/48/623042448.db2.gz XPQLTFIEWJUQMY-MSOLQXFVSA-N 1 3 317.477 2.280 20 0 DEADHO CCN(CC)c1ccc(C[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000077450270 623057416 /nfs/dbraw/zinc/05/74/16/623057416.db2.gz ZLBLUGGRTBBBPR-UHFFFAOYSA-N 1 3 305.466 2.079 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC001020980687 623235880 /nfs/dbraw/zinc/23/58/80/623235880.db2.gz RGDQBOUGXGNQJB-BFYDXBDKSA-N 1 3 324.428 2.185 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCC2CC2)C1 ZINC000970177572 623281488 /nfs/dbraw/zinc/28/14/88/623281488.db2.gz YQQXJVHYRLYYAL-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](NCc3ccccc3Cl)C2)C1 ZINC001021044237 623306348 /nfs/dbraw/zinc/30/63/48/623306348.db2.gz KTPIVFCGZWDIHE-RBSFLKMASA-N 1 3 321.852 2.029 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](NCc3ccccc3Cl)C2)C1 ZINC001021044237 623306354 /nfs/dbraw/zinc/30/63/54/623306354.db2.gz KTPIVFCGZWDIHE-RBSFLKMASA-N 1 3 321.852 2.029 20 0 DEADHO CCN1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970325646 623402904 /nfs/dbraw/zinc/40/29/04/623402904.db2.gz IMIKIGCAMGXIKV-PBHICJAKSA-N 1 3 307.482 2.240 20 0 DEADHO CCN1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970325646 623402907 /nfs/dbraw/zinc/40/29/07/623402907.db2.gz IMIKIGCAMGXIKV-PBHICJAKSA-N 1 3 307.482 2.240 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N1C[C@H]([NH3+])C[C@H]1C)c1ccsc1 ZINC000891349354 624047267 /nfs/dbraw/zinc/04/72/67/624047267.db2.gz TXIUUNKPKSPNMG-BPLDGKMQSA-N 1 3 324.494 2.262 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CC2CC3(CCC3)C2)C1 ZINC000971202590 624068582 /nfs/dbraw/zinc/06/85/82/624068582.db2.gz ZCTNTAHJHBLVIT-DLBZAZTESA-N 1 3 319.493 2.194 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CC2CC3(CCC3)C2)C1 ZINC000971202590 624068583 /nfs/dbraw/zinc/06/85/83/624068583.db2.gz ZCTNTAHJHBLVIT-DLBZAZTESA-N 1 3 319.493 2.194 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCC(C)(C)[NH3+])C1 ZINC000891411229 624154087 /nfs/dbraw/zinc/15/40/87/624154087.db2.gz DOXOYNZBYZYGGB-ZBFHGGJFSA-N 1 3 318.465 2.249 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C)cc2)C1)N(C)C ZINC000971782443 624544760 /nfs/dbraw/zinc/54/47/60/624544760.db2.gz WBCFIJHTQNURPG-ZWKOTPCHSA-N 1 3 317.477 2.368 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2)C1)N(C)C ZINC000971782443 624544761 /nfs/dbraw/zinc/54/47/61/624544761.db2.gz WBCFIJHTQNURPG-ZWKOTPCHSA-N 1 3 317.477 2.368 20 0 DEADHO CC1CC(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001022717484 624870365 /nfs/dbraw/zinc/87/03/65/624870365.db2.gz YJOSDFYHCZRJGT-STONLHKKSA-N 1 3 307.482 2.001 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([N@H+](C)CC3CC(C)(C)C3)C2)C1 ZINC000972332332 624931261 /nfs/dbraw/zinc/93/12/61/624931261.db2.gz BRTAWMJSPWZJTO-WBVHZDCISA-N 1 3 321.509 2.297 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CC3CC(C)(C)C3)C2)C1 ZINC000972332332 624931262 /nfs/dbraw/zinc/93/12/62/624931262.db2.gz BRTAWMJSPWZJTO-WBVHZDCISA-N 1 3 321.509 2.297 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([N@H+](C)CC3CCCCC3)C2)C1 ZINC000972336558 624933650 /nfs/dbraw/zinc/93/36/50/624933650.db2.gz YIXGQKYRSNXALK-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CC3CCCCC3)C2)C1 ZINC000972336558 624933653 /nfs/dbraw/zinc/93/36/53/624933653.db2.gz YIXGQKYRSNXALK-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC000978802362 634424298 /nfs/dbraw/zinc/42/42/98/634424298.db2.gz XANOUSXPQOZAPB-FJIDUMEYSA-N 1 3 321.509 2.199 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC000978802362 634424303 /nfs/dbraw/zinc/42/43/03/634424303.db2.gz XANOUSXPQOZAPB-FJIDUMEYSA-N 1 3 321.509 2.199 20 0 DEADHO CC(C)=CCN1CCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001024761287 625041650 /nfs/dbraw/zinc/04/16/50/625041650.db2.gz DZEIFXSNTIHAOB-INIZCTEOSA-N 1 3 305.466 2.019 20 0 DEADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@@H](O)c1cc(F)c(F)c(F)c1 ZINC000926733024 625111573 /nfs/dbraw/zinc/11/15/73/625111573.db2.gz QNXXLIFABWRNEV-OHAAQNSTSA-N 1 3 314.351 2.067 20 0 DEADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@@H](O)c1cc(F)c(F)c(F)c1 ZINC000926733024 625111576 /nfs/dbraw/zinc/11/15/76/625111576.db2.gz QNXXLIFABWRNEV-OHAAQNSTSA-N 1 3 314.351 2.067 20 0 DEADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@H](O)c1cc(F)c(F)c(F)c1 ZINC000926733036 625111767 /nfs/dbraw/zinc/11/17/67/625111767.db2.gz QNXXLIFABWRNEV-QGRQDYFNSA-N 1 3 314.351 2.067 20 0 DEADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@H](O)c1cc(F)c(F)c(F)c1 ZINC000926733036 625111769 /nfs/dbraw/zinc/11/17/69/625111769.db2.gz QNXXLIFABWRNEV-QGRQDYFNSA-N 1 3 314.351 2.067 20 0 DEADHO C[NH+]1CCC(CNCc2cccnc2OCC(F)(F)F)CC1 ZINC000892543903 625133000 /nfs/dbraw/zinc/13/30/00/625133000.db2.gz PUTVGPVCZXWNKN-UHFFFAOYSA-N 1 3 317.355 2.454 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001025101237 625211464 /nfs/dbraw/zinc/21/14/64/625211464.db2.gz VSKIODVTTGPGGV-QGZVFWFLSA-N 1 3 316.449 2.423 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CC1 ZINC001025168842 625242608 /nfs/dbraw/zinc/24/26/08/625242608.db2.gz ZAENHKNRGXVQKN-IRXDYDNUSA-N 1 3 307.482 2.242 20 0 DEADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC4CCC4)[C@H]3C2)CCC1 ZINC001026282003 625255375 /nfs/dbraw/zinc/25/53/75/625255375.db2.gz LYOWVZDQJGQCOE-YESZJQIVSA-N 1 3 319.493 2.097 20 0 DEADHO COC(=O)c1c[nH]c(C[NH2+]C[C@@H]2CCCN(C)C2)c1C1CC1 ZINC000892946517 625759241 /nfs/dbraw/zinc/75/92/41/625759241.db2.gz FFNOOOUWFWEGRF-LBPRGKRZSA-N 1 3 305.422 2.110 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CC1 ZINC001024437587 625773450 /nfs/dbraw/zinc/77/34/50/625773450.db2.gz UJGOXRUCKFMGGZ-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CC1 ZINC001024437587 625773455 /nfs/dbraw/zinc/77/34/55/625773455.db2.gz UJGOXRUCKFMGGZ-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC)C[C@H]21 ZINC000978947688 634461718 /nfs/dbraw/zinc/46/17/18/634461718.db2.gz IKTQCVMRSAEVRR-FJIDUMEYSA-N 1 3 321.509 2.345 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCC)C[C@H]21 ZINC000978947688 634461729 /nfs/dbraw/zinc/46/17/29/634461729.db2.gz IKTQCVMRSAEVRR-FJIDUMEYSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946517601 634483428 /nfs/dbraw/zinc/48/34/28/634483428.db2.gz JIIOHNQYNDJXTM-BDXSIMOUSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946517601 634483432 /nfs/dbraw/zinc/48/34/32/634483432.db2.gz JIIOHNQYNDJXTM-BDXSIMOUSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001000190725 634783712 /nfs/dbraw/zinc/78/37/12/634783712.db2.gz HKVFFFOMLWCRPE-GDBMZVCRSA-N 1 3 321.490 2.313 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001000197599 634785634 /nfs/dbraw/zinc/78/56/34/634785634.db2.gz ITEGWTAULTVJOT-WMZOPIPTSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001000202085 634788587 /nfs/dbraw/zinc/78/85/87/634788587.db2.gz TURHQSSITGXDHS-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001000226373 634801160 /nfs/dbraw/zinc/80/11/60/634801160.db2.gz MGUWQGXKXWOQGV-IRXDYDNUSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]CCC2CC2)C(C)(C)C1 ZINC000995873851 633131711 /nfs/dbraw/zinc/13/17/11/633131711.db2.gz RXPLKGKPBYEIMR-SJORKVTESA-N 1 3 321.509 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCC2CC2)C(C)(C)C1 ZINC000995873842 633132084 /nfs/dbraw/zinc/13/20/84/633132084.db2.gz RXPLKGKPBYEIMR-DLBZAZTESA-N 1 3 321.509 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC000995880333 633134114 /nfs/dbraw/zinc/13/41/14/633134114.db2.gz JSTKCZZTLHKLAT-JKSUJKDBSA-N 1 3 307.482 2.097 20 0 DEADHO CCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974681696 633231786 /nfs/dbraw/zinc/23/17/86/633231786.db2.gz KQNVERMRVOUOER-HZPDHXFCSA-N 1 3 307.482 2.240 20 0 DEADHO CCN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974681696 633231792 /nfs/dbraw/zinc/23/17/92/633231792.db2.gz KQNVERMRVOUOER-HZPDHXFCSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NCCF)C(C)(C)C1 ZINC000996377638 633250255 /nfs/dbraw/zinc/25/02/55/633250255.db2.gz BNNSEWOHLMIHSD-HUUCEWRRSA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NCCF)C(C)(C)C1 ZINC000996377638 633250262 /nfs/dbraw/zinc/25/02/62/633250262.db2.gz BNNSEWOHLMIHSD-HUUCEWRRSA-N 1 3 313.461 2.045 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccsc2)C1)N(C)C ZINC001026916590 633262358 /nfs/dbraw/zinc/26/23/58/633262358.db2.gz LGOAXUMFXCZWEN-UKRRQHHQSA-N 1 3 309.479 2.026 20 0 DEADHO CCCC[N@@H+]1C[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974862893 633338254 /nfs/dbraw/zinc/33/82/54/633338254.db2.gz MQWFBSAGXDRIKF-DLBZAZTESA-N 1 3 321.509 2.488 20 0 DEADHO CCCC[N@H+]1C[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974862893 633338259 /nfs/dbraw/zinc/33/82/59/633338259.db2.gz MQWFBSAGXDRIKF-DLBZAZTESA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)C1(C(=O)N2CCC([NH2+]Cc3ccccc3)CC2)CCC1 ZINC000996666183 633341372 /nfs/dbraw/zinc/34/13/72/633341372.db2.gz PEBPDCPUMHVKLX-UHFFFAOYSA-N 1 3 315.461 2.252 20 0 DEADHO CC1CC(C[NH2+]C[C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001027066413 633386116 /nfs/dbraw/zinc/38/61/16/633386116.db2.gz QFFPDHVDEUMBGE-AQFXKWCLSA-N 1 3 321.509 2.203 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccsc2)C1)N(C)C ZINC001027070174 633419951 /nfs/dbraw/zinc/41/99/51/633419951.db2.gz LGOAXUMFXCZWEN-ZFWWWQNUSA-N 1 3 309.479 2.026 20 0 DEADHO C[C@@H]([NH3+])C[C@@H](C)NC[C@H](O)c1cccc(Br)c1 ZINC000817929568 633569793 /nfs/dbraw/zinc/56/97/93/633569793.db2.gz INAXOMJFWCZDQM-BREBYQMCSA-N 1 3 301.228 2.198 20 0 DEADHO C[C@@H]([NH3+])C[C@H](C)NC[C@H](O)c1cccc(Br)c1 ZINC000817929584 633570032 /nfs/dbraw/zinc/57/00/32/633570032.db2.gz INAXOMJFWCZDQM-NRUUGDAUSA-N 1 3 301.228 2.198 20 0 DEADHO CCN1CCN(CCC[NH2+]Cc2nccc3c2CCCC3)CC1 ZINC000921526800 633613177 /nfs/dbraw/zinc/61/31/77/633613177.db2.gz JEKKKACWBSWBDE-UHFFFAOYSA-N 1 3 316.493 2.078 20 0 DEADHO CC1(C)CC(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000997302321 633694787 /nfs/dbraw/zinc/69/47/87/633694787.db2.gz LIDFFOBQNORFHA-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO CC1CC(C[NH2+]CC2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC000997823329 634000606 /nfs/dbraw/zinc/00/06/06/634000606.db2.gz LGNHHPMCJUTRRN-UHFFFAOYSA-N 1 3 321.509 2.345 20 0 DEADHO CCN(C(=O)[C@@H]1CCCN1C)[C@@H]1CCC[N@H+](CC2CC2)CC1 ZINC000997949727 634073370 /nfs/dbraw/zinc/07/33/70/634073370.db2.gz OFMIUHONASUKAU-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO CCN(C(=O)[C@@H]1CCCN1C)[C@@H]1CCC[N@@H+](CC2CC2)CC1 ZINC000997949727 634073375 /nfs/dbraw/zinc/07/33/75/634073375.db2.gz OFMIUHONASUKAU-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO CCN(C(=O)[C@@H]1CCCN1C)[C@H]1CCC[N@H+](CC(C)C)CC1 ZINC000997950791 634075740 /nfs/dbraw/zinc/07/57/40/634075740.db2.gz UJIRIXDYYHXNCK-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CCN(C(=O)[C@@H]1CCCN1C)[C@H]1CCC[N@@H+](CC(C)C)CC1 ZINC000997950791 634075743 /nfs/dbraw/zinc/07/57/43/634075743.db2.gz UJIRIXDYYHXNCK-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([N@H+](C)CC3CCCC3)C2)C1 ZINC001027575925 634182796 /nfs/dbraw/zinc/18/27/96/634182796.db2.gz GQGKVQTVGQRWCX-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([N@@H+](C)CC3CCCC3)C2)C1 ZINC001027575925 634182800 /nfs/dbraw/zinc/18/28/00/634182800.db2.gz GQGKVQTVGQRWCX-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC=C(C)C ZINC001027918249 634964281 /nfs/dbraw/zinc/96/42/81/634964281.db2.gz LFNCBMQZLPXOEC-DLBZAZTESA-N 1 3 307.482 2.408 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC=C(C)C ZINC001027918249 634964285 /nfs/dbraw/zinc/96/42/85/634964285.db2.gz LFNCBMQZLPXOEC-DLBZAZTESA-N 1 3 307.482 2.408 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN1CC=C(C)C ZINC001027918249 634964288 /nfs/dbraw/zinc/96/42/88/634964288.db2.gz LFNCBMQZLPXOEC-DLBZAZTESA-N 1 3 307.482 2.408 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN1CC=C(C)C ZINC001027918249 634964292 /nfs/dbraw/zinc/96/42/92/634964292.db2.gz LFNCBMQZLPXOEC-DLBZAZTESA-N 1 3 307.482 2.408 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC1CC1 ZINC001027918688 634965419 /nfs/dbraw/zinc/96/54/19/634965419.db2.gz PEWFPGQHTWKWBU-SJORKVTESA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1CC1 ZINC001027918688 634965422 /nfs/dbraw/zinc/96/54/22/634965422.db2.gz PEWFPGQHTWKWBU-SJORKVTESA-N 1 3 307.482 2.242 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCC2CC2)C1 ZINC001001010406 635378695 /nfs/dbraw/zinc/37/86/95/635378695.db2.gz TYIMNFCFUXDRPZ-SJORKVTESA-N 1 3 307.482 2.242 20 0 DEADHO CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001001230096 635431756 /nfs/dbraw/zinc/43/17/56/635431756.db2.gz RAOSFWHXYKDOMT-KRWDZBQOSA-N 1 3 307.482 2.408 20 0 DEADHO CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001001230096 635431764 /nfs/dbraw/zinc/43/17/64/635431764.db2.gz RAOSFWHXYKDOMT-KRWDZBQOSA-N 1 3 307.482 2.408 20 0 DEADHO C[C@@H](F)CCN1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000981743336 635624103 /nfs/dbraw/zinc/62/41/03/635624103.db2.gz XTMKPKRXUQZGPH-OAHLLOKOSA-N 1 3 313.461 2.143 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC1CC[NH+](C[C@H](C)CC)CC1 ZINC001002955308 635860036 /nfs/dbraw/zinc/86/00/36/635860036.db2.gz KFMPNMIABZRPAB-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC000982301680 635957570 /nfs/dbraw/zinc/95/75/70/635957570.db2.gz VPIDWWWUEUPFQS-RYQLBKOJSA-N 1 3 309.498 2.153 20 0 DEADHO CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC000982301680 635957573 /nfs/dbraw/zinc/95/75/73/635957573.db2.gz VPIDWWWUEUPFQS-RYQLBKOJSA-N 1 3 309.498 2.153 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001003626727 636005725 /nfs/dbraw/zinc/00/57/25/636005725.db2.gz VYRGTGUBXKQKSC-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001028333653 636134493 /nfs/dbraw/zinc/13/44/93/636134493.db2.gz NCSFRKHDWMZEIM-KRWDZBQOSA-N 1 3 303.450 2.351 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001028333653 636134495 /nfs/dbraw/zinc/13/44/95/636134495.db2.gz NCSFRKHDWMZEIM-KRWDZBQOSA-N 1 3 303.450 2.351 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3ccccn3)C2)[C@H]1C(C)C ZINC000922394379 636155533 /nfs/dbraw/zinc/15/55/33/636155533.db2.gz VRFAPKRTTXYWTI-BRSBDYLESA-N 1 3 303.450 2.041 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3ccccn3)C2)[C@H]1C(C)C ZINC000922394379 636155536 /nfs/dbraw/zinc/15/55/36/636155536.db2.gz VRFAPKRTTXYWTI-BRSBDYLESA-N 1 3 303.450 2.041 20 0 DEADHO CC(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982558357 636265460 /nfs/dbraw/zinc/26/54/60/636265460.db2.gz ZBGKLWZLVNCLPQ-YTQUADARSA-N 1 3 321.509 2.155 20 0 DEADHO CC(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982558357 636265462 /nfs/dbraw/zinc/26/54/62/636265462.db2.gz ZBGKLWZLVNCLPQ-YTQUADARSA-N 1 3 321.509 2.155 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001028536421 636328472 /nfs/dbraw/zinc/32/84/72/636328472.db2.gz BUHULLYECJXGLH-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001028536421 636328476 /nfs/dbraw/zinc/32/84/76/636328476.db2.gz BUHULLYECJXGLH-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001028918562 636851860 /nfs/dbraw/zinc/85/18/60/636851860.db2.gz IMWPGKOZOAECHI-ZWKOTPCHSA-N 1 3 321.509 2.489 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001028918562 636851864 /nfs/dbraw/zinc/85/18/64/636851864.db2.gz IMWPGKOZOAECHI-ZWKOTPCHSA-N 1 3 321.509 2.489 20 0 DEADHO c1cc(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2c(c1)OCCO2 ZINC000922943850 636873012 /nfs/dbraw/zinc/87/30/12/636873012.db2.gz CAZSPTJCLHTVNN-HZPDHXFCSA-N 1 3 302.418 2.217 20 0 DEADHO c1cc(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2c(c1)OCCO2 ZINC000922943850 636873015 /nfs/dbraw/zinc/87/30/15/636873015.db2.gz CAZSPTJCLHTVNN-HZPDHXFCSA-N 1 3 302.418 2.217 20 0 DEADHO C[C@H](F)CC[NH+]1CCC(N(C)C(=O)CN2CCC[C@@H]2C)CC1 ZINC001005998817 637063380 /nfs/dbraw/zinc/06/33/80/637063380.db2.gz WDFZZNUWUQXCIO-GJZGRUSLSA-N 1 3 313.461 2.142 20 0 DEADHO CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000923270530 637071140 /nfs/dbraw/zinc/07/11/40/637071140.db2.gz BNZAXQLEZRTSII-CVEARBPZSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H](CN)[N@H+](C)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000923290626 637092842 /nfs/dbraw/zinc/09/28/42/637092842.db2.gz MOZRSJABRZEPSE-LSDHHAIUSA-N 1 3 311.429 2.434 20 0 DEADHO C[C@@H](CN)[N@@H+](C)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000923290626 637092846 /nfs/dbraw/zinc/09/28/46/637092846.db2.gz MOZRSJABRZEPSE-LSDHHAIUSA-N 1 3 311.429 2.434 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]2CN(C[C@@H](O)COc3ccc(Cl)cc3)C[C@@H]21 ZINC000923333413 637120417 /nfs/dbraw/zinc/12/04/17/637120417.db2.gz QTEYASXJRLEHDC-QIJZBDPFSA-N 1 3 324.852 2.139 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000923333902 637120558 /nfs/dbraw/zinc/12/05/58/637120558.db2.gz ZFVNPFWXCLJKKH-LKCYJCQHSA-N 1 3 318.461 2.111 20 0 DEADHO CCN(C[C@@H](O)COc1ccccc1F)[C@H]1CCC[NH2+]CC1 ZINC000923337164 637122914 /nfs/dbraw/zinc/12/29/14/637122914.db2.gz XNRFWRONIKJROT-LSDHHAIUSA-N 1 3 310.413 2.029 20 0 DEADHO C[C@]1(C[NH3+])CCN(C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000923357613 637131685 /nfs/dbraw/zinc/13/16/85/637131685.db2.gz ZBDIPUCXBLNNMP-BHIYHBOVSA-N 1 3 318.461 2.112 20 0 DEADHO Cc1nc([C@@H](C)NC(CN)C[NH3+])oc1-c1ccc(Cl)cc1 ZINC000923358397 637133118 /nfs/dbraw/zinc/13/31/18/637133118.db2.gz AFGDDMDUDXRDRT-SNVBAGLBSA-N 1 3 308.813 2.240 20 0 DEADHO CCc1nc2c(s1)[C@H](N(C)C[C@@H]1CC3(C[NH2+]C3)CO1)CCC2 ZINC000923371022 637140694 /nfs/dbraw/zinc/14/06/94/637140694.db2.gz NXYXWVJKKLEECV-GXTWGEPZSA-N 1 3 321.490 2.393 20 0 DEADHO N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000923383049 637149415 /nfs/dbraw/zinc/14/94/15/637149415.db2.gz GURLYUPNCCIISK-MGPQQGTHSA-N 1 3 313.239 2.342 20 0 DEADHO CN(C(=O)Cc1c[nH]cn1)C1CC[NH+](CCCC2CCC2)CC1 ZINC001006066285 637150482 /nfs/dbraw/zinc/15/04/82/637150482.db2.gz QEUAWACQJLEHFB-UHFFFAOYSA-N 1 3 318.465 2.455 20 0 DEADHO CC(C)(C)[C@@]1(C[NH3+])CCN(C[C@@H](O)COc2ccccc2F)C1 ZINC000923416253 637161961 /nfs/dbraw/zinc/16/19/61/637161961.db2.gz UYEVXOJQTIJMPE-RDTXWAMCSA-N 1 3 324.440 2.262 20 0 DEADHO Cc1ccccc1OC[C@@H](O)CN1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000923414967 637168192 /nfs/dbraw/zinc/16/81/92/637168192.db2.gz NZVYORWURSCLRV-QFBILLFUSA-N 1 3 320.477 2.432 20 0 DEADHO CC(C)c1ccc(CCNC(=O)CN2CC[C@H](CC[NH3+])C2)cc1 ZINC000923488273 637207753 /nfs/dbraw/zinc/20/77/53/637207753.db2.gz REVUCYWUDFKHMR-KRWDZBQOSA-N 1 3 317.477 2.139 20 0 DEADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000894780988 637209074 /nfs/dbraw/zinc/20/90/74/637209074.db2.gz BSPADZOEIBQGHU-HZPDHXFCSA-N 1 3 323.481 2.269 20 0 DEADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000894780988 637209078 /nfs/dbraw/zinc/20/90/78/637209078.db2.gz BSPADZOEIBQGHU-HZPDHXFCSA-N 1 3 323.481 2.269 20 0 DEADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000894780988 637209080 /nfs/dbraw/zinc/20/90/80/637209080.db2.gz BSPADZOEIBQGHU-HZPDHXFCSA-N 1 3 323.481 2.269 20 0 DEADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000894780988 637209082 /nfs/dbraw/zinc/20/90/82/637209082.db2.gz BSPADZOEIBQGHU-HZPDHXFCSA-N 1 3 323.481 2.269 20 0 DEADHO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923497666 637213812 /nfs/dbraw/zinc/21/38/12/637213812.db2.gz IJKZLBCTHQSUDK-QZWWFDLISA-N 1 3 317.477 2.477 20 0 DEADHO C[C@H]1CN(CC(=O)NCCCC2CCCCC2)CC[C@H]1C[NH3+] ZINC000923498945 637216355 /nfs/dbraw/zinc/21/63/55/637216355.db2.gz RCRMUVVJKOREKQ-RDJZCZTQSA-N 1 3 309.498 2.380 20 0 DEADHO C[C@@H]1CN(CC(=O)N[C@H]2CCCc3ccccc32)CC[C@H]1C[NH3+] ZINC000923504204 637219989 /nfs/dbraw/zinc/21/99/89/637219989.db2.gz PXFOBMADOXXZNJ-HFTRVMKXSA-N 1 3 315.461 2.097 20 0 DEADHO COC(=O)c1cccc2c1CCN(CC1CC[NH+](C)CC1)C2 ZINC000894811362 637220988 /nfs/dbraw/zinc/22/09/88/637220988.db2.gz MQKKHVOAUZNCSW-UHFFFAOYSA-N 1 3 302.418 2.173 20 0 DEADHO CC(C)N(C(=O)CN1CC[C@@H](C[NH3+])[C@@H](C)C1)c1ccccc1 ZINC000923508575 637221769 /nfs/dbraw/zinc/22/17/69/637221769.db2.gz NPHHDABMZFBLSZ-HOTGVXAUSA-N 1 3 303.450 2.345 20 0 DEADHO CC(C)N(C(=O)CN1CC[C@H](C[NH3+])[C@@H](C)C1)c1ccccc1 ZINC000923508577 637222822 /nfs/dbraw/zinc/22/28/22/637222822.db2.gz NPHHDABMZFBLSZ-JKSUJKDBSA-N 1 3 303.450 2.345 20 0 DEADHO O=C(CCN1C[C@@H]2CC[NH2+]C[C@@H]2C1)Nc1ccc(Cl)cc1 ZINC000923518728 637227196 /nfs/dbraw/zinc/22/71/96/637227196.db2.gz MRWLMUQYOQFKCH-QWHCGFSZSA-N 1 3 307.825 2.210 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)N(C)C ZINC000738519035 637464672 /nfs/dbraw/zinc/46/46/72/637464672.db2.gz BJBSNCLXNBHOLP-KRWDZBQOSA-N 1 3 305.466 2.293 20 0 DEADHO CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1)N1CCCC1 ZINC001029419130 637895144 /nfs/dbraw/zinc/89/51/44/637895144.db2.gz HHDSODAOSAXEQF-CALCHBBNSA-N 1 3 319.493 2.336 20 0 DEADHO CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1)N1CCCC1 ZINC001029419130 637895146 /nfs/dbraw/zinc/89/51/46/637895146.db2.gz HHDSODAOSAXEQF-CALCHBBNSA-N 1 3 319.493 2.336 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(C)C)C1 ZINC001029436912 638003343 /nfs/dbraw/zinc/00/33/43/638003343.db2.gz MTANABNPNNFIDT-YESZJQIVSA-N 1 3 307.482 2.192 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(C)C)C1 ZINC001029436912 638003345 /nfs/dbraw/zinc/00/33/45/638003345.db2.gz MTANABNPNNFIDT-YESZJQIVSA-N 1 3 307.482 2.192 20 0 DEADHO COc1ccc([C@H](NC(C)C)C(=O)NCC[NH2+]C(C)(C)C)cc1 ZINC000896507389 638556323 /nfs/dbraw/zinc/55/63/23/638556323.db2.gz WWWCABBGYHHMOD-INIZCTEOSA-N 1 3 321.465 2.239 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H](N)CC3CCCCC3)CC[C@@H]21 ZINC000262483175 639280442 /nfs/dbraw/zinc/28/04/42/639280442.db2.gz KCWJLVRMKOSTEW-ZACQAIPSSA-N 1 3 307.482 2.227 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H](N)CC3CCCCC3)CC[C@@H]21 ZINC000262483175 639280444 /nfs/dbraw/zinc/28/04/44/639280444.db2.gz KCWJLVRMKOSTEW-ZACQAIPSSA-N 1 3 307.482 2.227 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC([N@H+](C)CCC2CC2)CC1)N(C)C ZINC000985481052 639457317 /nfs/dbraw/zinc/45/73/17/639457317.db2.gz JHTNSSHEKWBTLB-KRWDZBQOSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC([N@@H+](C)CCC2CC2)CC1)N(C)C ZINC000985481052 639457320 /nfs/dbraw/zinc/45/73/20/639457320.db2.gz JHTNSSHEKWBTLB-KRWDZBQOSA-N 1 3 309.498 2.296 20 0 DEADHO CN1CCCC[C@@H]1CC[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000839576648 639759792 /nfs/dbraw/zinc/75/97/92/639759792.db2.gz PYIIFUJYNPWNAC-CVEARBPZSA-N 1 3 306.454 2.030 20 0 DEADHO C[C@H]1[C@H]([NH2+]Cc2ccsc2)CCN1C(=O)CN(C)C1CCC1 ZINC000986354478 639885287 /nfs/dbraw/zinc/88/52/87/639885287.db2.gz KBVFFMGMRLFUKL-XJKSGUPXSA-N 1 3 321.490 2.311 20 0 DEADHO c1ccn2c(c1)nnc2CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000321032223 639894909 /nfs/dbraw/zinc/89/49/09/639894909.db2.gz XDFNAKSYVRCMMV-HRCADAONSA-N 1 3 313.449 2.172 20 0 DEADHO CO[C@]1(CNC2CC[NH+](CC3CCCCC3)CC2)CCOC1 ZINC000763573700 640553226 /nfs/dbraw/zinc/55/32/26/640553226.db2.gz UMQACEUDKGWFQW-SFHVURJKSA-N 1 3 310.482 2.426 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2)CN1C(=O)CN(C)C1CCC1 ZINC000988966459 640698737 /nfs/dbraw/zinc/69/87/37/640698737.db2.gz LYDPVKYPZMDNHO-DOTOQJQBSA-N 1 3 315.461 2.250 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC2=CCCCC2)CN1C(=O)Cc1c[nH]cn1 ZINC000989493050 641123484 /nfs/dbraw/zinc/12/34/84/641123484.db2.gz QTBITNJHMJWHQB-CJNGLKHVSA-N 1 3 302.422 2.032 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)CN1C(=O)CN1CCCC1 ZINC000989798988 641237167 /nfs/dbraw/zinc/23/71/67/641237167.db2.gz ILAOAZXEHJINBS-PBHICJAKSA-N 1 3 319.424 2.001 20 0 DEADHO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000900307035 642320928 /nfs/dbraw/zinc/32/09/28/642320928.db2.gz DMVGTDOCUHHMNI-CQSZACIVSA-N 1 3 314.433 2.362 20 0 DEADHO CC[N@H+]1CC[C@H](CNC(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000900307035 642320934 /nfs/dbraw/zinc/32/09/34/642320934.db2.gz DMVGTDOCUHHMNI-CQSZACIVSA-N 1 3 314.433 2.362 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)N(C)C ZINC000900975968 642529274 /nfs/dbraw/zinc/52/92/74/642529274.db2.gz XCEKVMXNNVIUIQ-JQHSSLGASA-N 1 3 317.477 2.496 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)N(C)C ZINC000900975968 642529279 /nfs/dbraw/zinc/52/92/79/642529279.db2.gz XCEKVMXNNVIUIQ-JQHSSLGASA-N 1 3 317.477 2.496 20 0 DEADHO CCNc1ccccc1C[NH2+]C[C@@H](C)CN1CCN(CC)CC1 ZINC000902196304 642953326 /nfs/dbraw/zinc/95/33/26/642953326.db2.gz RVHJTAXUBUUUGH-QGZVFWFLSA-N 1 3 318.509 2.482 20 0 DEADHO CC1(C)C[NH2+]CC[C@@H](NCc2ccccc2Cn2cncn2)C1 ZINC000902339244 642999446 /nfs/dbraw/zinc/99/94/46/642999446.db2.gz YXEOWIVFOXFKHK-QGZVFWFLSA-N 1 3 313.449 2.194 20 0 DEADHO CC1(C)C[NH2+]CC[C@H](N[C@H]2CCN(C(=O)C3CCCC3)C2)C1 ZINC000902347251 643002251 /nfs/dbraw/zinc/00/22/51/643002251.db2.gz ICSIPWOIRBCKGO-HOTGVXAUSA-N 1 3 307.482 2.145 20 0 DEADHO C(C1CC1)N1CCC([NH2+][C@H]2CCCN3CCSC[C@@H]23)CC1 ZINC000903270100 643306296 /nfs/dbraw/zinc/30/62/96/643306296.db2.gz BMEKZHAOCFNIJO-IRXDYDNUSA-N 1 3 309.523 2.030 20 0 DEADHO CCCC[C@@H](C(=O)Nc1cc(C)on1)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496683 643372372 /nfs/dbraw/zinc/37/23/72/643372372.db2.gz YRVKHVXSFHSQLK-YUELXQCFSA-N 1 3 322.453 2.397 20 0 DEADHO Fc1ccc(F)c(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1 ZINC000903511182 643373596 /nfs/dbraw/zinc/37/35/96/643373596.db2.gz WKALREPDBYYOGC-CALCHBBNSA-N 1 3 321.415 2.365 20 0 DEADHO COc1ccc(CN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C2CC2)cc1 ZINC000903718638 643437868 /nfs/dbraw/zinc/43/78/68/643437868.db2.gz QCCLQAILTPDNPY-OALUTQOASA-N 1 3 316.445 2.428 20 0 DEADHO CC(C)(C)C(=O)NC[C@@H]1CCCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903729703 643441557 /nfs/dbraw/zinc/44/15/57/643441557.db2.gz QVDKZHIFADTGBQ-CVEARBPZSA-N 1 3 309.498 2.250 20 0 DEADHO C(OC1CCN(C[C@H]2CCCC[NH2+]C2)CC1)[C@@H]1CCCCO1 ZINC000903734915 643448370 /nfs/dbraw/zinc/44/83/70/643448370.db2.gz XKKGGBUYIQRPCA-WMZOPIPTSA-N 1 3 310.482 2.426 20 0 DEADHO Cc1cncc([C@@H]2CCCN2C[C@H]2C[C@]3(CC[NH2+]C3)CO2)c1 ZINC000903781100 643460577 /nfs/dbraw/zinc/46/05/77/643460577.db2.gz NSMHFEWNUHUMRS-SQNIBIBYSA-N 1 3 301.434 2.296 20 0 DEADHO NC[C@]12CC[C@@H]1CCC[N@@H+]2C[C@@H]1CCC2(CCOCC2)CO1 ZINC000903804733 643468735 /nfs/dbraw/zinc/46/87/35/643468735.db2.gz ICNHUKPBKFGADA-XYJFISCASA-N 1 3 308.466 2.166 20 0 DEADHO NC[C@]12CC[C@@H]1CCC[N@H+]2C[C@@H]1CCC2(CCOCC2)CO1 ZINC000903804733 643468737 /nfs/dbraw/zinc/46/87/37/643468737.db2.gz ICNHUKPBKFGADA-XYJFISCASA-N 1 3 308.466 2.166 20 0 DEADHO c1cc(CN2CCCC[C@@H]2C2OCCO2)c2c(c1)C[NH2+]CC2 ZINC000903888681 643489916 /nfs/dbraw/zinc/48/99/16/643489916.db2.gz IYUXNFVYIPCHPQ-QGZVFWFLSA-N 1 3 302.418 2.060 20 0 DEADHO c1ccc(C[C@H]2CN(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)cc1 ZINC000903903616 643502675 /nfs/dbraw/zinc/50/26/75/643502675.db2.gz WGUOIXTWUKWXCV-IPQPSQTFSA-N 1 3 300.446 2.461 20 0 DEADHO FC1(F)CCNC[C@@H]1C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000903953843 643528237 /nfs/dbraw/zinc/52/82/37/643528237.db2.gz KXLMFUYSEFQSBQ-CQSZACIVSA-N 1 3 306.360 2.207 20 0 DEADHO COCCOc1ccc(C[NH2+]C[C@H]2CNCCC2(F)F)cc1 ZINC000903955845 643529284 /nfs/dbraw/zinc/52/92/84/643529284.db2.gz ZZGKEFIONZWPPM-CQSZACIVSA-N 1 3 314.376 2.046 20 0 DEADHO COc1ccc(CCNC[C@]2(C)CCC[NH2+]C2)c(OC)c1OC ZINC000904364935 643650690 /nfs/dbraw/zinc/65/06/90/643650690.db2.gz UKMARFSUMHOFBP-GOSISDBHSA-N 1 3 322.449 2.234 20 0 DEADHO CCC[C@@](C)([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000904468417 643676302 /nfs/dbraw/zinc/67/63/02/643676302.db2.gz CERWNXPTUBRNCY-QFBILLFUSA-N 1 3 317.477 2.489 20 0 DEADHO CNCC(=O)Nc1ccc(-c2ccc(C[NH+](C)C)s2)cn1 ZINC000904865129 643746244 /nfs/dbraw/zinc/74/62/44/643746244.db2.gz UWAWBHFAVHERSI-UHFFFAOYSA-N 1 3 304.419 2.030 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@H](O)CCC2(O)CCC2)C1 ZINC000905181694 643815655 /nfs/dbraw/zinc/81/56/55/643815655.db2.gz ORZBNAJMOKYHJF-DLBZAZTESA-N 1 3 312.498 2.000 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@H](O)CCC2(O)CCC2)C1 ZINC000905181694 643815657 /nfs/dbraw/zinc/81/56/57/643815657.db2.gz ORZBNAJMOKYHJF-DLBZAZTESA-N 1 3 312.498 2.000 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC000906451520 644254003 /nfs/dbraw/zinc/25/40/03/644254003.db2.gz UJGHANQMIWVUFV-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC000906451520 644254005 /nfs/dbraw/zinc/25/40/05/644254005.db2.gz UJGHANQMIWVUFV-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CN1CCN(C2CC[NH+]([C@@H]3C[C@@H]3c3cccc(F)c3)CC2)CC1 ZINC000906594278 644297519 /nfs/dbraw/zinc/29/75/19/644297519.db2.gz CTYVGDGIQFIDKN-RTBURBONSA-N 1 3 317.452 2.393 20 0 DEADHO CN1CCN(C2CC[NH+]([C@@H]3C[C@H]3c3cccc(F)c3)CC2)CC1 ZINC000906594277 644297828 /nfs/dbraw/zinc/29/78/28/644297828.db2.gz CTYVGDGIQFIDKN-RBUKOAKNSA-N 1 3 317.452 2.393 20 0 DEADHO O=C(CN1CCC2(CC[NH2+]C2)CC1)NC1CCCCCCC1 ZINC000843385680 650963408 /nfs/dbraw/zinc/96/34/08/650963408.db2.gz CIYSQEKQGBQYLS-UHFFFAOYSA-N 1 3 307.482 2.291 20 0 DEADHO CCCCC[C@H](C)NC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843388565 650964481 /nfs/dbraw/zinc/96/44/81/650964481.db2.gz RSWVBCPGKLKKST-YESZJQIVSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@@H](CNC(=O)NC[C@H]1CCCCN1C)[N@@H+]1CCCC[C@H]1C ZINC000911974216 645896762 /nfs/dbraw/zinc/89/67/62/645896762.db2.gz SRFIUXMLAZRTQM-OWCLPIDISA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H](CNC(=O)NC[C@H]1CCCCN1C)[N@H+]1CCCC[C@H]1C ZINC000911974216 645896764 /nfs/dbraw/zinc/89/67/64/645896764.db2.gz SRFIUXMLAZRTQM-OWCLPIDISA-N 1 3 310.486 2.033 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c1 ZINC000913284087 646315052 /nfs/dbraw/zinc/31/50/52/646315052.db2.gz SJLIPABUQVFZHQ-OALUTQOASA-N 1 3 315.461 2.162 20 0 DEADHO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810260898 646345622 /nfs/dbraw/zinc/34/56/22/646345622.db2.gz ADLXOZDISVCJQB-YOEHRIQHSA-N 1 3 313.461 2.047 20 0 DEADHO CC[N@H+]1CCC[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810260898 646345625 /nfs/dbraw/zinc/34/56/25/646345625.db2.gz ADLXOZDISVCJQB-YOEHRIQHSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000811602285 646550262 /nfs/dbraw/zinc/55/02/62/646550262.db2.gz ZUSJTIREHPHSGJ-XJKSGUPXSA-N 1 3 301.450 2.044 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000811602285 646550265 /nfs/dbraw/zinc/55/02/65/646550265.db2.gz ZUSJTIREHPHSGJ-XJKSGUPXSA-N 1 3 301.450 2.044 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)N(C)C ZINC001388728672 1155075777 /nfs/dbraw/zinc/07/57/77/1155075777.db2.gz VCCNEXJKOONXEY-ULQDDVLXSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001015387944 647284568 /nfs/dbraw/zinc/28/45/68/647284568.db2.gz NLRVMCUHVZCOPD-IRXDYDNUSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)(C)CC[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001015387944 647284570 /nfs/dbraw/zinc/28/45/70/647284570.db2.gz NLRVMCUHVZCOPD-IRXDYDNUSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CCNC[C@@H]1[NH2+]C[C@@H](O)c1ccccc1Br ZINC000817934166 647385885 /nfs/dbraw/zinc/38/58/85/647385885.db2.gz BYHHUGSQBUUGPX-DDTOSNHZSA-N 1 3 313.239 2.070 20 0 DEADHO C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])c1ccc(N2CCCNC2=O)cc1 ZINC000817931676 647386185 /nfs/dbraw/zinc/38/61/85/647386185.db2.gz NMXFRZCVAKALOI-MELADBBJSA-N 1 3 304.438 2.383 20 0 DEADHO C[C@H](CC(=O)Nc1cccnc1Cl)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000817970329 647396466 /nfs/dbraw/zinc/39/64/66/647396466.db2.gz RMWXZGRTRREDCT-GRYCIOLGSA-N 1 3 310.829 2.312 20 0 DEADHO [NH3+]Cc1cccc(C(=O)N2CCN(C3CCCCC3)CC2)c1 ZINC000818608060 647487396 /nfs/dbraw/zinc/48/73/96/647487396.db2.gz KPEYOTHXUBYVOA-UHFFFAOYSA-N 1 3 301.434 2.236 20 0 DEADHO C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824585470 648617591 /nfs/dbraw/zinc/61/75/91/648617591.db2.gz QUUIJXBNJZCMHB-CYBMUJFWSA-N 1 3 314.437 2.249 20 0 DEADHO C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824585470 648617593 /nfs/dbraw/zinc/61/75/93/648617593.db2.gz QUUIJXBNJZCMHB-CYBMUJFWSA-N 1 3 314.437 2.249 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000824826990 648658387 /nfs/dbraw/zinc/65/83/87/648658387.db2.gz VUIGQZZLOYZJIL-NXOAAHMSSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000824826990 648658391 /nfs/dbraw/zinc/65/83/91/648658391.db2.gz VUIGQZZLOYZJIL-NXOAAHMSSA-N 1 3 309.498 2.201 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC)CC1(C)C ZINC000940785043 648941210 /nfs/dbraw/zinc/94/12/10/648941210.db2.gz GMCZIGQMKIYRHM-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC)CC1(C)C ZINC000940785043 648941212 /nfs/dbraw/zinc/94/12/12/648941212.db2.gz GMCZIGQMKIYRHM-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000940918002 648970685 /nfs/dbraw/zinc/97/06/85/648970685.db2.gz IAIYRDGHHWWENT-CVEARBPZSA-N 1 3 307.482 2.097 20 0 DEADHO CC[N@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000940918002 648970688 /nfs/dbraw/zinc/97/06/88/648970688.db2.gz IAIYRDGHHWWENT-CVEARBPZSA-N 1 3 307.482 2.097 20 0 DEADHO CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000940918004 648970724 /nfs/dbraw/zinc/97/07/24/648970724.db2.gz IAIYRDGHHWWENT-HZPDHXFCSA-N 1 3 307.482 2.097 20 0 DEADHO CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000940918004 648970725 /nfs/dbraw/zinc/97/07/25/648970725.db2.gz IAIYRDGHHWWENT-HZPDHXFCSA-N 1 3 307.482 2.097 20 0 DEADHO CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000995237890 649212364 /nfs/dbraw/zinc/21/23/64/649212364.db2.gz WANOWSUWLVTWEH-YOEHRIQHSA-N 1 3 303.450 2.256 20 0 DEADHO C[C@@H]1C[N@H+](CCCF)CC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942556073 649246085 /nfs/dbraw/zinc/24/60/85/649246085.db2.gz UWNJLMDEUTUKIT-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H]1C[N@@H+](CCCF)CC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942556073 649246086 /nfs/dbraw/zinc/24/60/86/649246086.db2.gz UWNJLMDEUTUKIT-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H]1C[N@H+](CCC2CC2)CC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942555682 649246096 /nfs/dbraw/zinc/24/60/96/649246096.db2.gz OHMWXEZANHTWEL-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1C[N@@H+](CCC2CC2)CC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942555682 649246098 /nfs/dbraw/zinc/24/60/98/649246098.db2.gz OHMWXEZANHTWEL-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO [NH3+]CCCCCCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000831266719 649563061 /nfs/dbraw/zinc/56/30/61/649563061.db2.gz BBZVTIHKSSPCFF-UHFFFAOYSA-N 1 3 310.486 2.165 20 0 DEADHO Cc1cc([C@H](N)CC(=O)NCC[N@H+]2CCC[C@H]2C)cc(Cl)n1 ZINC000831970616 649664748 /nfs/dbraw/zinc/66/47/48/649664748.db2.gz JRDBGAHLUYBCLE-TZMCWYRMSA-N 1 3 324.856 2.034 20 0 DEADHO Cc1cc([C@H](N)CC(=O)NCC[N@@H+]2CCC[C@H]2C)cc(Cl)n1 ZINC000831970616 649664751 /nfs/dbraw/zinc/66/47/51/649664751.db2.gz JRDBGAHLUYBCLE-TZMCWYRMSA-N 1 3 324.856 2.034 20 0 DEADHO C[NH+](C)CCCC(C)(C)NCc1ncc(C2OCCO2)s1 ZINC000846060579 651305071 /nfs/dbraw/zinc/30/50/71/651305071.db2.gz QLCQEWHTVDQLSC-UHFFFAOYSA-N 1 3 313.467 2.399 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cc(C)ccc1OC ZINC000848993238 651574144 /nfs/dbraw/zinc/57/41/44/651574144.db2.gz NBSWNARKPLKWSV-OAHLLOKOSA-N 1 3 304.438 2.102 20 0 DEADHO CCC(CC)[C@H](CCNC(=[NH2+])NC[C@H]1CCCN1CC)OC ZINC000849014231 651583050 /nfs/dbraw/zinc/58/30/50/651583050.db2.gz QLDJKCOOCNXAEB-CVEARBPZSA-N 1 3 312.502 2.426 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(OC)CCC(C)CC1 ZINC000849024757 651587062 /nfs/dbraw/zinc/58/70/62/651587062.db2.gz VRMWLXYIFWGTOL-CKDBGZEDSA-N 1 3 310.486 2.180 20 0 DEADHO CC[C@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)OC ZINC000849029645 651588968 /nfs/dbraw/zinc/58/89/68/651588968.db2.gz DWCHSFCQTKVTCA-QGZVFWFLSA-N 1 3 318.465 2.190 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cnccc1C(C)(C)C ZINC000849041796 651592947 /nfs/dbraw/zinc/59/29/47/651592947.db2.gz OFDKMTUNERUBGB-OAHLLOKOSA-N 1 3 317.481 2.477 20 0 DEADHO CC(C)CCN1CCC([NH2+]CCCNC(=O)C2CCC2)CC1 ZINC000925489262 651758824 /nfs/dbraw/zinc/75/88/24/651758824.db2.gz BDARUFRDHJCHET-UHFFFAOYSA-N 1 3 309.498 2.393 20 0 DEADHO CN1CC[C@H]([NH2+]C[C@]23OCCC[C@H]2C3(F)F)[C@H]2CCC[C@@H]21 ZINC000850532990 651947770 /nfs/dbraw/zinc/94/77/70/651947770.db2.gz QSEAYLLSEHWWRE-FQKPHLNHSA-N 1 3 300.393 2.263 20 0 DEADHO C[N@@H+]1CC[C@H](NC[C@]23OCCC[C@H]2C3(F)F)[C@H]2CCC[C@@H]21 ZINC000850532990 651947774 /nfs/dbraw/zinc/94/77/74/651947774.db2.gz QSEAYLLSEHWWRE-FQKPHLNHSA-N 1 3 300.393 2.263 20 0 DEADHO C[N@H+]1CC[C@H](NC[C@]23OCCC[C@H]2C3(F)F)[C@H]2CCC[C@@H]21 ZINC000850532990 651947778 /nfs/dbraw/zinc/94/77/78/651947778.db2.gz QSEAYLLSEHWWRE-FQKPHLNHSA-N 1 3 300.393 2.263 20 0 DEADHO [NH3+][C@@H]1CN(C(=O)C[C@@H]2NCc3ccccc32)C[C@H]1c1ccccc1 ZINC000852829923 652465586 /nfs/dbraw/zinc/46/55/86/652465586.db2.gz PWYGFTSFGHSPMA-OTWHNJEPSA-N 1 3 321.424 2.174 20 0 DEADHO CN(CC(=O)N1CC[C@H](C[N@@H+](C)CCC2CC2)C1)C1CCC1 ZINC001391350290 1156349525 /nfs/dbraw/zinc/34/95/25/1156349525.db2.gz FTDULMGNEUJDLU-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@H](F)CN1CCCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001394217083 1158377893 /nfs/dbraw/zinc/37/78/93/1158377893.db2.gz RKAGLQFJIJCFHC-GJZGRUSLSA-N 1 3 301.450 2.047 20 0 DEADHO CN(C(=O)C[C@@H]([NH3+])C1CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388728846 685429778 /nfs/dbraw/zinc/42/97/78/685429778.db2.gz BFKVBVNHHNSPMQ-QZTJIDSGSA-N 1 3 315.461 2.237 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000928838552 693853526 /nfs/dbraw/zinc/85/35/26/693853526.db2.gz KXWMUJURVOKOMC-BFYDXBDKSA-N 1 3 318.465 2.063 20 0 DEADHO CC(C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001054144944 693861813 /nfs/dbraw/zinc/86/18/13/693861813.db2.gz FRAHAPDZJGRFCE-SJLPKXTDSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001054144944 693861815 /nfs/dbraw/zinc/86/18/15/693861815.db2.gz FRAHAPDZJGRFCE-SJLPKXTDSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](CC3CCC3)C2)C1)N(C)C ZINC001054199261 693878938 /nfs/dbraw/zinc/87/89/38/693878938.db2.gz RGBYYBXFWNBHJS-PKOBYXMFSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@]2(CC[N@@H+](CC3CCC3)C2)C1)N(C)C ZINC001054199261 693878941 /nfs/dbraw/zinc/87/89/41/693878941.db2.gz RGBYYBXFWNBHJS-PKOBYXMFSA-N 1 3 321.509 2.441 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001054205528 693882576 /nfs/dbraw/zinc/88/25/76/693882576.db2.gz SUWUBXPXIYEGMZ-SFHVURJKSA-N 1 3 316.449 2.067 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001054205528 693882579 /nfs/dbraw/zinc/88/25/79/693882579.db2.gz SUWUBXPXIYEGMZ-SFHVURJKSA-N 1 3 316.449 2.067 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205312 693882675 /nfs/dbraw/zinc/88/26/75/693882675.db2.gz OUXSSAIUJGSBGF-GOSISDBHSA-N 1 3 316.449 2.233 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205312 693882680 /nfs/dbraw/zinc/88/26/80/693882680.db2.gz OUXSSAIUJGSBGF-GOSISDBHSA-N 1 3 316.449 2.233 20 0 DEADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1[NH2+]CC1CC1 ZINC001054650289 694014834 /nfs/dbraw/zinc/01/48/34/694014834.db2.gz PXWUFHRMEKWGJU-GDBMZVCRSA-N 1 3 307.482 2.097 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN[C@H]2C)C1 ZINC000863488390 686508582 /nfs/dbraw/zinc/50/85/82/686508582.db2.gz PIMZAAHYZGCYRD-QNWHQSFQSA-N 1 3 304.381 2.084 20 0 DEADHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@H]1CCC2(COC2)O1 ZINC000930117323 694093846 /nfs/dbraw/zinc/09/38/46/694093846.db2.gz KHBMTZGYFOOBQB-QGZVFWFLSA-N 1 3 304.434 2.128 20 0 DEADHO COC(=O)/C=C/c1ccc(OCC[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000866667735 687646788 /nfs/dbraw/zinc/64/67/88/687646788.db2.gz WYQWCFXWWWONRB-ZJJGVRJWSA-N 1 3 318.417 2.111 20 0 DEADHO C[NH2+]C[C@](C)(O)CN1CCC[C@@H](c2ccccc2OC)CC1 ZINC000866717709 687664248 /nfs/dbraw/zinc/66/42/48/687664248.db2.gz MXYKZNLHCQKCLK-QAPCUYQASA-N 1 3 306.450 2.235 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@H](C[N@H+](C)CC3CC3)C2)CCC1 ZINC001017142090 687801897 /nfs/dbraw/zinc/80/18/97/687801897.db2.gz KMMSPQHIUZOGCR-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@H](C[N@@H+](C)CC3CC3)C2)CCC1 ZINC001017142090 687801900 /nfs/dbraw/zinc/80/19/00/687801900.db2.gz KMMSPQHIUZOGCR-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001017267658 687849833 /nfs/dbraw/zinc/84/98/33/687849833.db2.gz RROKBETXONPUPY-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC001017267658 687849837 /nfs/dbraw/zinc/84/98/37/687849837.db2.gz RROKBETXONPUPY-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001017557097 687911934 /nfs/dbraw/zinc/91/19/34/687911934.db2.gz OGUGSEYTZLIKMV-DZJNRPSUSA-N 1 3 319.493 2.050 20 0 DEADHO CC[C@@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001017563903 687912872 /nfs/dbraw/zinc/91/28/72/687912872.db2.gz NNDCLGFIXJXMAE-OVYGPGRDSA-N 1 3 307.482 2.048 20 0 DEADHO CC[C@@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001017563903 687912876 /nfs/dbraw/zinc/91/28/76/687912876.db2.gz NNDCLGFIXJXMAE-OVYGPGRDSA-N 1 3 307.482 2.048 20 0 DEADHO CC1CCC(C[NH2+][C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001018963151 688262609 /nfs/dbraw/zinc/26/26/09/688262609.db2.gz AVUPKENFECAAKK-JCYILVPMSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2csc(C)c2)C1)N(C)C ZINC001019032048 688273283 /nfs/dbraw/zinc/27/32/83/688273283.db2.gz CDVDAWAKCFPDCF-LSDHHAIUSA-N 1 3 309.479 2.087 20 0 DEADHO CCc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)cc1 ZINC001019394650 688345898 /nfs/dbraw/zinc/34/58/98/688345898.db2.gz LNWRMADEXDAXSD-ROUUACIJSA-N 1 3 317.477 2.280 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001019437219 688356406 /nfs/dbraw/zinc/35/64/06/688356406.db2.gz IENDRQDTHUXIEQ-GJZGRUSLSA-N 1 3 312.417 2.212 20 0 DEADHO CC[C@H]([NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001019436255 688356667 /nfs/dbraw/zinc/35/66/67/688356667.db2.gz USUWHPODSXFYLG-RDJZCZTQSA-N 1 3 312.417 2.294 20 0 DEADHO COc1ccc2c(c1)C[C@@H](C[N@@H+]1CCC[C@@]3(CCN(C)C3)C1)O2 ZINC000930601373 694197971 /nfs/dbraw/zinc/19/79/71/694197971.db2.gz HEUFOJDZUKNSKC-HKUYNNGSSA-N 1 3 316.445 2.416 20 0 DEADHO COc1ccc2c(c1)C[C@@H](C[N@H+]1CCC[C@@]3(CCN(C)C3)C1)O2 ZINC000930601373 694197973 /nfs/dbraw/zinc/19/79/73/694197973.db2.gz HEUFOJDZUKNSKC-HKUYNNGSSA-N 1 3 316.445 2.416 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000870872886 688673413 /nfs/dbraw/zinc/67/34/13/688673413.db2.gz OZVASKDIBLIWBQ-DDBAPUKQSA-N 1 3 315.461 2.456 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CC[NH2+]CC2CC2)C1 ZINC000870872720 688673755 /nfs/dbraw/zinc/67/37/55/688673755.db2.gz HJDVJKZZRYUIDB-MAUKXSAKSA-N 1 3 315.461 2.328 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)N(C)C)cc1 ZINC000870874872 688675040 /nfs/dbraw/zinc/67/50/40/688675040.db2.gz PSGJXLZPOUPBMI-ULQDDVLXSA-N 1 3 303.450 2.231 20 0 DEADHO CCC(CC)C[NH+]1CC(NC(=O)c2ccn3cncc3c2)C1 ZINC001030618633 688726347 /nfs/dbraw/zinc/72/63/47/688726347.db2.gz OUMHXHYUDNIVQH-UHFFFAOYSA-N 1 3 300.406 2.185 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCC1C[NH+](CC2CCCCC2)C1 ZINC001031665975 688976463 /nfs/dbraw/zinc/97/64/63/688976463.db2.gz KBABRZBRNUTCMU-SFHVURJKSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCC1C[NH+](CCC2CCCC2)C1 ZINC001031714412 688984570 /nfs/dbraw/zinc/98/45/70/688984570.db2.gz IAIBHZIZEKMKLM-GOSISDBHSA-N 1 3 321.509 2.489 20 0 DEADHO Cc1ccccc1[C@@H](C)N1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032182562 689079010 /nfs/dbraw/zinc/07/90/10/689079010.db2.gz NMNHUNGDBGABTI-WBVHZDCISA-N 1 3 315.461 2.056 20 0 DEADHO Cc1ccccc1[C@@H](C)N1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032182562 689079014 /nfs/dbraw/zinc/07/90/14/689079014.db2.gz NMNHUNGDBGABTI-WBVHZDCISA-N 1 3 315.461 2.056 20 0 DEADHO CC(C)CN(CC1CC[NH+](C)CC1)CN1CC(F)(F)CC1=O ZINC000872743841 689081469 /nfs/dbraw/zinc/08/14/69/689081469.db2.gz KUOVLBDQHURHAY-UHFFFAOYSA-N 1 3 317.424 2.111 20 0 DEADHO CC(C)CC[NH+]1CC(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001032205262 689083322 /nfs/dbraw/zinc/08/33/22/689083322.db2.gz TVOZIQFQEHGYGL-UHFFFAOYSA-N 1 3 317.477 2.456 20 0 DEADHO C[C@H]1C[C@@H](CN2CCN(c3ccc(F)cc3F)CC2)CC[NH2+]1 ZINC000873221418 689186927 /nfs/dbraw/zinc/18/69/27/689186927.db2.gz JUNJOGRNLMRIMB-KBPBESRZSA-N 1 3 309.404 2.475 20 0 DEADHO N[C@@H]1C[C@H]([NH2+]C[C@H]2CC3(CO2)CCOCC3)c2ccccc21 ZINC000873251029 689194308 /nfs/dbraw/zinc/19/43/08/689194308.db2.gz IAKDPLIKNOIBNV-XYPHTWIQSA-N 1 3 302.418 2.307 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCC1)N(C)C ZINC001032609751 689201372 /nfs/dbraw/zinc/20/13/72/689201372.db2.gz IQIJDMOTNCKOJY-OKZBNKHCSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCC1)N(C)C ZINC001032609751 689201373 /nfs/dbraw/zinc/20/13/73/689201373.db2.gz IQIJDMOTNCKOJY-OKZBNKHCSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1)[NH+](C)C ZINC001032609751 689201374 /nfs/dbraw/zinc/20/13/74/689201374.db2.gz IQIJDMOTNCKOJY-OKZBNKHCSA-N 1 3 321.509 2.438 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCCC2)C1 ZINC001032781878 689258742 /nfs/dbraw/zinc/25/87/42/689258742.db2.gz LQBSDBGQQNLTGB-BZSNNMDCSA-N 1 3 319.493 2.194 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCCC2)C1 ZINC001032781878 689258744 /nfs/dbraw/zinc/25/87/44/689258744.db2.gz LQBSDBGQQNLTGB-BZSNNMDCSA-N 1 3 319.493 2.194 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(CC=C(C)C)C1 ZINC001033125423 689397962 /nfs/dbraw/zinc/39/79/62/689397962.db2.gz DIKGPBHSKLGWAS-SJORKVTESA-N 1 3 307.482 2.360 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(CC=C(C)C)C1 ZINC001033125423 689397966 /nfs/dbraw/zinc/39/79/66/689397966.db2.gz DIKGPBHSKLGWAS-SJORKVTESA-N 1 3 307.482 2.360 20 0 DEADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033591597 689553740 /nfs/dbraw/zinc/55/37/40/689553740.db2.gz VLGPYZDXJRYENM-OAHLLOKOSA-N 1 3 318.465 2.410 20 0 DEADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033591597 689553742 /nfs/dbraw/zinc/55/37/42/689553742.db2.gz VLGPYZDXJRYENM-OAHLLOKOSA-N 1 3 318.465 2.410 20 0 DEADHO Cc1ccc([C@H](CNC(=O)/C=C\[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000876731165 689919122 /nfs/dbraw/zinc/91/91/22/689919122.db2.gz FWLFZVVJUXSTCC-MPCXQGPMSA-N 1 3 315.461 2.270 20 0 DEADHO CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCCN2CC)cc1 ZINC001034832234 689956238 /nfs/dbraw/zinc/95/62/38/689956238.db2.gz NHVXOCMUVBWVCL-KRWDZBQOSA-N 1 3 303.450 2.287 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)C1=CC[C@H]([NH3+])C1 ZINC000877030183 690001836 /nfs/dbraw/zinc/00/18/36/690001836.db2.gz AHNUAHASABXQAT-YXJHDRRASA-N 1 3 311.429 2.177 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21 ZINC000877030927 690001944 /nfs/dbraw/zinc/00/19/44/690001944.db2.gz NSYHIFFITQBLPQ-HLLBOEOZSA-N 1 3 301.434 2.127 20 0 DEADHO CCN1CCN(CCC[NH2+]Cc2cccc(Cl)c2N)CC1 ZINC000877145314 690029428 /nfs/dbraw/zinc/02/94/28/690029428.db2.gz FAECQABWVWCWFM-UHFFFAOYSA-N 1 3 310.873 2.039 20 0 DEADHO O=C(CN1CCCC1)N1CCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001035125597 690033953 /nfs/dbraw/zinc/03/39/53/690033953.db2.gz KISATEVNWJGJKU-QGZVFWFLSA-N 1 3 319.493 2.243 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]2C[NH2+]CC2CC2)c1 ZINC001035132224 690034252 /nfs/dbraw/zinc/03/42/52/690034252.db2.gz BXUWCLXPXUGNOH-GOSISDBHSA-N 1 3 315.461 2.352 20 0 DEADHO C[N@@H+]1CCN(C(=O)C[C@@H]2NCc3ccccc32)CCC1(C)C ZINC000877206613 690045977 /nfs/dbraw/zinc/04/59/77/690045977.db2.gz NIRJIBCSQBOZDO-INIZCTEOSA-N 1 3 301.434 2.164 20 0 DEADHO C[N@H+]1CCN(C(=O)C[C@@H]2NCc3ccccc32)CCC1(C)C ZINC000877206613 690045979 /nfs/dbraw/zinc/04/59/79/690045979.db2.gz NIRJIBCSQBOZDO-INIZCTEOSA-N 1 3 301.434 2.164 20 0 DEADHO CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001035167561 690047083 /nfs/dbraw/zinc/04/70/83/690047083.db2.gz QTQZSTUIIOGSNY-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001035167561 690047085 /nfs/dbraw/zinc/04/70/85/690047085.db2.gz QTQZSTUIIOGSNY-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001035669489 690147469 /nfs/dbraw/zinc/14/74/69/690147469.db2.gz RRSRFJPJSZRVNI-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)CN1CC[C@@H](C)C1)CC2 ZINC001035794498 690178193 /nfs/dbraw/zinc/17/81/93/690178193.db2.gz DKFDUENOFVIWOR-IAGOWNOFSA-N 1 3 321.509 2.299 20 0 DEADHO CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)CN1CC[C@H](C)C1)CC2 ZINC001035794499 690178287 /nfs/dbraw/zinc/17/82/87/690178287.db2.gz DKFDUENOFVIWOR-IRXDYDNUSA-N 1 3 321.509 2.299 20 0 DEADHO CCC[NH+]1CC2(C1)CCN(C(=O)CN1CCC(C)(C)C1)CC2 ZINC001035799212 690179484 /nfs/dbraw/zinc/17/94/84/690179484.db2.gz WFFKHCFEDCQOJF-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001036206148 690290892 /nfs/dbraw/zinc/29/08/92/690290892.db2.gz PGYPJMNKGSRSPU-RHSMWYFYSA-N 1 3 316.449 2.279 20 0 DEADHO CC[NH2+][C@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001036304466 690315637 /nfs/dbraw/zinc/31/56/37/690315637.db2.gz QVBRQBHUJHBNDG-PBHICJAKSA-N 1 3 303.450 2.208 20 0 DEADHO CC(C)[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CN1CCC(C)(C)C1 ZINC001036577807 690389822 /nfs/dbraw/zinc/38/98/22/690389822.db2.gz NLJMCNNHLPZFOR-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@H]21 ZINC001036735989 690451987 /nfs/dbraw/zinc/45/19/87/690451987.db2.gz TUYMYZOUWXMGLV-HZPDHXFCSA-N 1 3 307.482 2.194 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@H]21 ZINC001036735989 690451988 /nfs/dbraw/zinc/45/19/88/690451988.db2.gz TUYMYZOUWXMGLV-HZPDHXFCSA-N 1 3 307.482 2.194 20 0 DEADHO CN(CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCC2CC2)C1)C1CCC1 ZINC001036737224 690453351 /nfs/dbraw/zinc/45/33/51/690453351.db2.gz NFZCROBCGJKPTO-FUHWJXTLSA-N 1 3 319.493 2.194 20 0 DEADHO CN(CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCC2CC2)C1)C1CCC1 ZINC001036737224 690453352 /nfs/dbraw/zinc/45/33/52/690453352.db2.gz NFZCROBCGJKPTO-FUHWJXTLSA-N 1 3 319.493 2.194 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)CC[C@H]21 ZINC001036738016 690454391 /nfs/dbraw/zinc/45/43/91/690454391.db2.gz ZPKIAVALSUTOPE-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)CC[C@H]21 ZINC001036738016 690454393 /nfs/dbraw/zinc/45/43/93/690454393.db2.gz ZPKIAVALSUTOPE-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@H]21 ZINC001036820876 690486030 /nfs/dbraw/zinc/48/60/30/690486030.db2.gz QDNOJKUAFXOPHJ-IAGOWNOFSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@H]21 ZINC001036820876 690486032 /nfs/dbraw/zinc/48/60/32/690486032.db2.gz QDNOJKUAFXOPHJ-IAGOWNOFSA-N 1 3 321.509 2.441 20 0 DEADHO C[NH+]1CCC2(CCN(C[C@@H](O)c3c(F)cccc3F)C2)CC1 ZINC000878864449 690516914 /nfs/dbraw/zinc/51/69/14/690516914.db2.gz CANAFIVCWPJDGU-OAHLLOKOSA-N 1 3 310.388 2.416 20 0 DEADHO C[C@H](CN(C)CC(=O)NC1CC[NH+](C)CC1)C1CCCCC1 ZINC000879052871 690558660 /nfs/dbraw/zinc/55/86/60/690558660.db2.gz JKRWKWOHNIRPHK-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CC2CCC2)C1)N(C)C ZINC001375886730 1158920763 /nfs/dbraw/zinc/92/07/63/1158920763.db2.gz HQKIHUDTWWXADT-AEFFLSMTSA-N 1 3 309.498 2.201 20 0 DEADHO CC[NH2+][C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1CC ZINC001037853446 690623895 /nfs/dbraw/zinc/62/38/95/690623895.db2.gz IUTXCLHNDKZMAA-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001038440250 690822998 /nfs/dbraw/zinc/82/29/98/690822998.db2.gz BPWVBHNAKVNVSF-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001038440250 690823001 /nfs/dbraw/zinc/82/30/01/690823001.db2.gz BPWVBHNAKVNVSF-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO O=C(NC[C@@H]1CCN1CCC1CCCCC1)C12CC[NH+](CC1)C2 ZINC001038925764 690968633 /nfs/dbraw/zinc/96/86/33/690968633.db2.gz LABPJVGMFHHTEX-KRWDZBQOSA-N 1 3 319.493 2.243 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CC[N@@H+]1CCC1CC1 ZINC001039051918 691004429 /nfs/dbraw/zinc/00/44/29/691004429.db2.gz ZNFCZVPSFIFKNE-QGZVFWFLSA-N 1 3 315.461 2.352 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CC[N@H+]1CCC1CC1 ZINC001039051918 691004432 /nfs/dbraw/zinc/00/44/32/691004432.db2.gz ZNFCZVPSFIFKNE-QGZVFWFLSA-N 1 3 315.461 2.352 20 0 DEADHO CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001040240442 691218436 /nfs/dbraw/zinc/21/84/36/691218436.db2.gz FZHGPSKGVYGNDN-IEBWSBKVSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001040240442 691218437 /nfs/dbraw/zinc/21/84/37/691218437.db2.gz FZHGPSKGVYGNDN-IEBWSBKVSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CCC3CC3)C2)C1)N(C)C ZINC001041687846 691410299 /nfs/dbraw/zinc/41/02/99/691410299.db2.gz RZBYJIOLRAIOSP-WMZOPIPTSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CCC3CC3)C2)C1)N(C)C ZINC001041687846 691410302 /nfs/dbraw/zinc/41/03/02/691410302.db2.gz RZBYJIOLRAIOSP-WMZOPIPTSA-N 1 3 307.482 2.051 20 0 DEADHO CCC(CC)C[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041715982 691415438 /nfs/dbraw/zinc/41/54/38/691415438.db2.gz YIAMFKBXKZLNPV-GOSISDBHSA-N 1 3 318.465 2.313 20 0 DEADHO CCC(CC)C[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041715982 691415440 /nfs/dbraw/zinc/41/54/40/691415440.db2.gz YIAMFKBXKZLNPV-GOSISDBHSA-N 1 3 318.465 2.313 20 0 DEADHO CC(C)[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001041757005 691425150 /nfs/dbraw/zinc/42/51/50/691425150.db2.gz OJDAEGQVAFEGDA-GOSISDBHSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001041757005 691425152 /nfs/dbraw/zinc/42/51/52/691425152.db2.gz OJDAEGQVAFEGDA-GOSISDBHSA-N 1 3 307.482 2.051 20 0 DEADHO COC[C@H](NC[C@@H]1CCC[N@H+](CC(C)C)C1)[C@@H]1CCCOC1 ZINC000883207379 691456399 /nfs/dbraw/zinc/45/63/99/691456399.db2.gz LVEFBCJJOKKITM-KSZLIROESA-N 1 3 312.498 2.386 20 0 DEADHO COC[C@H](NC[C@@H]1CCC[N@@H+](CC(C)C)C1)[C@@H]1CCCOC1 ZINC000883207379 691456403 /nfs/dbraw/zinc/45/64/03/691456403.db2.gz LVEFBCJJOKKITM-KSZLIROESA-N 1 3 312.498 2.386 20 0 DEADHO COC[C@H]([NH2+]C[C@@H]1CCCN(CC(C)C)C1)[C@@H]1CCCOC1 ZINC000883207379 691456407 /nfs/dbraw/zinc/45/64/07/691456407.db2.gz LVEFBCJJOKKITM-KSZLIROESA-N 1 3 312.498 2.386 20 0 DEADHO COC[C@H](NC[C@@H]1CCC[N@H+](CC(C)C)C1)[C@H]1CCCOC1 ZINC000883207378 691456547 /nfs/dbraw/zinc/45/65/47/691456547.db2.gz LVEFBCJJOKKITM-BZSNNMDCSA-N 1 3 312.498 2.386 20 0 DEADHO COC[C@H](NC[C@@H]1CCC[N@@H+](CC(C)C)C1)[C@H]1CCCOC1 ZINC000883207378 691456548 /nfs/dbraw/zinc/45/65/48/691456548.db2.gz LVEFBCJJOKKITM-BZSNNMDCSA-N 1 3 312.498 2.386 20 0 DEADHO COC[C@H]([NH2+]C[C@@H]1CCCN(CC(C)C)C1)[C@H]1CCCOC1 ZINC000883207378 691456550 /nfs/dbraw/zinc/45/65/50/691456550.db2.gz LVEFBCJJOKKITM-BZSNNMDCSA-N 1 3 312.498 2.386 20 0 DEADHO C[N@@H+]1CC[C@H](NC[C@@H]2CCC3(CCOCC3)CO2)CC1(C)C ZINC000883253058 691466035 /nfs/dbraw/zinc/46/60/35/691466035.db2.gz HDEJXYLBXUGYJU-HOTGVXAUSA-N 1 3 310.482 2.425 20 0 DEADHO C[N@H+]1CC[C@H](NC[C@@H]2CCC3(CCOCC3)CO2)CC1(C)C ZINC000883253058 691466038 /nfs/dbraw/zinc/46/60/38/691466038.db2.gz HDEJXYLBXUGYJU-HOTGVXAUSA-N 1 3 310.482 2.425 20 0 DEADHO CN(CCN1CC[NH2+]CC1)C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883416915 691503149 /nfs/dbraw/zinc/50/31/49/691503149.db2.gz INFVTLDVTSWFLM-MOPGFXCFSA-N 1 3 317.477 2.134 20 0 DEADHO NCc1cn([C@@H]2CCC[N@H+](CC[C@H]3CCCC3(F)F)C2)nn1 ZINC000883432171 691507844 /nfs/dbraw/zinc/50/78/44/691507844.db2.gz LVTLDNSBVSZDMJ-TZMCWYRMSA-N 1 3 313.396 2.199 20 0 DEADHO NCc1cn([C@@H]2CCC[N@@H+](CC[C@H]3CCCC3(F)F)C2)nn1 ZINC000883432171 691507849 /nfs/dbraw/zinc/50/78/49/691507849.db2.gz LVTLDNSBVSZDMJ-TZMCWYRMSA-N 1 3 313.396 2.199 20 0 DEADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(CCCOC(F)(F)F)CC1 ZINC000883432333 691508226 /nfs/dbraw/zinc/50/82/26/691508226.db2.gz PIMGVSUWXRECCO-STQMWFEESA-N 1 3 310.360 2.131 20 0 DEADHO CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000884178035 691674922 /nfs/dbraw/zinc/67/49/22/691674922.db2.gz BADPUXNGXJOCSY-IRXDYDNUSA-N 1 3 319.493 2.285 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H]([NH3+])CC1CC1)c1ccsc1 ZINC000884188778 691677621 /nfs/dbraw/zinc/67/76/21/691677621.db2.gz OWFCZRUBCIUIMU-LSDHHAIUSA-N 1 3 309.479 2.375 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H](N)CC2CC2)C1 ZINC000884205479 691682218 /nfs/dbraw/zinc/68/22/18/691682218.db2.gz XUYBJZZHXRIZIF-HYVNUMGLSA-N 1 3 307.482 2.227 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H](N)CC2CC2)C1 ZINC000884205479 691682222 /nfs/dbraw/zinc/68/22/22/691682222.db2.gz XUYBJZZHXRIZIF-HYVNUMGLSA-N 1 3 307.482 2.227 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CC2CCCC2)CCN1C(=O)CN1CCCC1 ZINC001044857599 691898349 /nfs/dbraw/zinc/89/83/49/691898349.db2.gz LPEKLUSVIXXYAS-RDJZCZTQSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1cccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C)c1 ZINC001044958891 691919594 /nfs/dbraw/zinc/91/95/94/691919594.db2.gz WHJMOXNTEOSDDW-ROUUACIJSA-N 1 3 315.461 2.170 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC001044958644 691919865 /nfs/dbraw/zinc/91/98/65/691919865.db2.gz PWLKYVOICGNEDG-IRXDYDNUSA-N 1 3 319.424 2.001 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1csc(C)c1)N(C)C ZINC001045205260 691951278 /nfs/dbraw/zinc/95/12/78/691951278.db2.gz HVGWBYZRBPXHEE-HOTGVXAUSA-N 1 3 323.506 2.477 20 0 DEADHO C([NH2+][C@H]1CCOC2(CCOCC2)C1)[C@@H]1CCCN(CC2CC2)C1 ZINC000886167028 692017171 /nfs/dbraw/zinc/01/71/71/692017171.db2.gz YJHRYIONLFOTST-ROUUACIJSA-N 1 3 322.493 2.426 20 0 DEADHO CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001045944121 692059290 /nfs/dbraw/zinc/05/92/90/692059290.db2.gz XYIGWLATUWECRN-QGZVFWFLSA-N 1 3 307.482 2.195 20 0 DEADHO CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001045944121 692059292 /nfs/dbraw/zinc/05/92/92/692059292.db2.gz XYIGWLATUWECRN-QGZVFWFLSA-N 1 3 307.482 2.195 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@]2(CC[N@@H+](C(C)C)C2)C1)N(C)C ZINC001045966796 692064027 /nfs/dbraw/zinc/06/40/27/692064027.db2.gz GDMQCSKNTIFZQJ-FUHWJXTLSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@]2(CC[N@H+](C(C)C)C2)C1)N(C)C ZINC001045966796 692064030 /nfs/dbraw/zinc/06/40/30/692064030.db2.gz GDMQCSKNTIFZQJ-FUHWJXTLSA-N 1 3 309.498 2.440 20 0 DEADHO CN(Cc1cc[nH]n1)[C@H]1CC[C@H]([N@H+](C)Cc2cc[nH]n2)CC1 ZINC000886389297 692071037 /nfs/dbraw/zinc/07/10/37/692071037.db2.gz CPFMCDUMMOGPCR-WKILWMFISA-N 1 3 302.426 2.008 20 0 DEADHO CN(Cc1cc[nH]n1)[C@H]1CC[C@H]([N@@H+](C)Cc2cc[nH]n2)CC1 ZINC000886389297 692071039 /nfs/dbraw/zinc/07/10/39/692071039.db2.gz CPFMCDUMMOGPCR-WKILWMFISA-N 1 3 302.426 2.008 20 0 DEADHO CC(C)[C@@H](NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cnn(C)c1 ZINC000886526959 692101718 /nfs/dbraw/zinc/10/17/18/692101718.db2.gz VZOLXPWXBVIEOQ-ZWKOTPCHSA-N 1 3 320.481 2.350 20 0 DEADHO CN(C)c1nccc(CNC2CCC(C)([NH+]3CCCC3)CC2)n1 ZINC000886562184 692110599 /nfs/dbraw/zinc/11/05/99/692110599.db2.gz SMSQIZDRHYYLEK-UHFFFAOYSA-N 1 3 317.481 2.429 20 0 DEADHO OC[C@H](CCF)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886633378 692140991 /nfs/dbraw/zinc/14/09/91/692140991.db2.gz UKSOPVNPOYKCEX-XSLAGTTESA-N 1 3 306.425 2.350 20 0 DEADHO OC[C@H](CCF)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886633378 692140995 /nfs/dbraw/zinc/14/09/95/692140995.db2.gz UKSOPVNPOYKCEX-XSLAGTTESA-N 1 3 306.425 2.350 20 0 DEADHO OC[C@H](CCF)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886633378 692140999 /nfs/dbraw/zinc/14/09/99/692140999.db2.gz UKSOPVNPOYKCEX-XSLAGTTESA-N 1 3 306.425 2.350 20 0 DEADHO CC(C)OC(=O)C1CCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000886860289 692212848 /nfs/dbraw/zinc/21/28/48/692212848.db2.gz YUBLKRRVRHXGFM-UHFFFAOYSA-N 1 3 316.445 2.496 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]CC1CCC1 ZINC001048387779 692610397 /nfs/dbraw/zinc/61/03/97/692610397.db2.gz SERAYNDLVMBGIJ-NVXWUHKLSA-N 1 3 321.509 2.203 20 0 DEADHO CC(C)[NH2+]C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001048478510 692626853 /nfs/dbraw/zinc/62/68/53/692626853.db2.gz GSJHKWUVGQKMPM-YJBOKZPZSA-N 1 3 317.477 2.454 20 0 DEADHO CCCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001049097088 692763408 /nfs/dbraw/zinc/76/34/08/692763408.db2.gz FNPHZGCZAHHTIK-FGTMMUONSA-N 1 3 321.509 2.440 20 0 DEADHO CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001049097088 692763412 /nfs/dbraw/zinc/76/34/12/692763412.db2.gz FNPHZGCZAHHTIK-FGTMMUONSA-N 1 3 321.509 2.440 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2C1 ZINC001049232966 692794962 /nfs/dbraw/zinc/79/49/62/692794962.db2.gz GSJFJJAZEUKSSK-FGTMMUONSA-N 1 3 319.493 2.051 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC3CCC3)C[C@@H]2C1 ZINC001049232966 692794965 /nfs/dbraw/zinc/79/49/65/692794965.db2.gz GSJFJJAZEUKSSK-FGTMMUONSA-N 1 3 319.493 2.051 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC=C(C)C)C[C@@H]2C1 ZINC001049234074 692796081 /nfs/dbraw/zinc/79/60/81/692796081.db2.gz XUPQCUZDYQQVOH-FGTMMUONSA-N 1 3 319.493 2.217 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC=C(C)C)C[C@@H]2C1 ZINC001049234074 692796084 /nfs/dbraw/zinc/79/60/84/692796084.db2.gz XUPQCUZDYQQVOH-FGTMMUONSA-N 1 3 319.493 2.217 20 0 DEADHO CC(C)[N@H+]1C[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]2C1 ZINC001049235766 692796324 /nfs/dbraw/zinc/79/63/24/692796324.db2.gz UTYPBEVHZDWBKR-CALCHBBNSA-N 1 3 315.461 2.160 20 0 DEADHO CC(C)[N@@H+]1C[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]2C1 ZINC001049235766 692796326 /nfs/dbraw/zinc/79/63/26/692796326.db2.gz UTYPBEVHZDWBKR-CALCHBBNSA-N 1 3 315.461 2.160 20 0 DEADHO C[C@H](NCc1ccnc(N2CC[NH+](C)CC2)c1)c1ccns1 ZINC000924689765 693171970 /nfs/dbraw/zinc/17/19/70/693171970.db2.gz MMMXNFQGCRDXBT-ZDUSSCGKSA-N 1 3 317.462 2.141 20 0 DEADHO C[C@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1ccns1 ZINC000924689765 693171972 /nfs/dbraw/zinc/17/19/72/693171972.db2.gz MMMXNFQGCRDXBT-ZDUSSCGKSA-N 1 3 317.462 2.141 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC1 ZINC001050543408 693203910 /nfs/dbraw/zinc/20/39/10/693203910.db2.gz JNFGPXVCZFGJPS-NVXWUHKLSA-N 1 3 321.509 2.297 20 0 DEADHO Cc1cccc2c1[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)CC2 ZINC000924965404 693207982 /nfs/dbraw/zinc/20/79/82/693207982.db2.gz OATFYTPUJKJTEC-IAGOWNOFSA-N 1 3 315.461 2.159 20 0 DEADHO Cc1cccc2c1[C@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)CC2 ZINC000924965404 693207985 /nfs/dbraw/zinc/20/79/85/693207985.db2.gz OATFYTPUJKJTEC-IAGOWNOFSA-N 1 3 315.461 2.159 20 0 DEADHO C([C@H]1CCOC1)N1CCC([NH2+][C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000925096562 693225914 /nfs/dbraw/zinc/22/59/14/693225914.db2.gz ZIODIBOYXXPCHP-NZSAHSFTSA-N 1 3 321.509 2.094 20 0 DEADHO CC[C@H](C)C[NH+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001050662659 693226918 /nfs/dbraw/zinc/22/69/18/693226918.db2.gz LKXJJGPSEMXVCI-DLBZAZTESA-N 1 3 321.509 2.299 20 0 DEADHO CC[C@@H]1COC[C@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000925223617 693243587 /nfs/dbraw/zinc/24/35/87/693243587.db2.gz XFRFRSXSLCPURR-DNVCBOLYSA-N 1 3 318.461 2.158 20 0 DEADHO CC[NH+]1CCC2(CN(C(=O)c3cccc(CN(C)C)c3)C2)CC1 ZINC001050762456 693245531 /nfs/dbraw/zinc/24/55/31/693245531.db2.gz FLOSVMNDIFAMPH-UHFFFAOYSA-N 1 3 315.461 2.306 20 0 DEADHO C[C@H](Cc1ccccn1)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000925438673 693272656 /nfs/dbraw/zinc/27/26/56/693272656.db2.gz ZWKKQJYDOKSHBB-IKGGRYGDSA-N 1 3 305.466 2.492 20 0 DEADHO C[C@@H]1NCCC[C@@H]1[NH2+]C[C@H]1CSCCN1Cc1ccccc1 ZINC000925651270 693317883 /nfs/dbraw/zinc/31/78/83/693317883.db2.gz ZHRKURXUCJDMEP-SZMVWBNQSA-N 1 3 319.518 2.334 20 0 DEADHO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925663762 693320435 /nfs/dbraw/zinc/32/04/35/693320435.db2.gz VVHZOEXDURADFA-KBAYOESNSA-N 1 3 307.482 2.003 20 0 DEADHO C(N[C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCC2(CCOCC2)CO1 ZINC000925737187 693332729 /nfs/dbraw/zinc/33/27/29/693332729.db2.gz PUNBUYALKVNAFN-OWSLCNJRSA-N 1 3 322.493 2.473 20 0 DEADHO COCCOc1ccc([C@H](C)NCCC(C)(C)[NH3+])cc1OC ZINC000925739886 693333504 /nfs/dbraw/zinc/33/35/04/693333504.db2.gz ANPZSNQHFRTALT-ZDUSSCGKSA-N 1 3 310.438 2.498 20 0 DEADHO COc1ccc(F)cc1CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000925776344 693339741 /nfs/dbraw/zinc/33/97/41/693339741.db2.gz XAMXBGGMVPRQCA-IXDOHACOSA-N 1 3 322.424 2.124 20 0 DEADHO CC[C@H](CN1CCOCC1)N[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000925824494 693347999 /nfs/dbraw/zinc/34/79/99/693347999.db2.gz YPIFFKVHSLKJEY-QYZOEREBSA-N 1 3 317.477 2.180 20 0 DEADHO C[C@H]([NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1)c1cnnn1C ZINC000926353336 693436310 /nfs/dbraw/zinc/43/63/10/693436310.db2.gz KONGFJKEAUTWRF-MAUKXSAKSA-N 1 3 313.449 2.378 20 0 DEADHO C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CCC2(CCOCC2)O1 ZINC000927011682 693543179 /nfs/dbraw/zinc/54/31/79/693543179.db2.gz DYRWBODDJRRFBX-QGZVFWFLSA-N 1 3 308.466 2.179 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000927295439 693582641 /nfs/dbraw/zinc/58/26/41/693582641.db2.gz SUKXAYYCYGVAOL-UHFFFAOYSA-N 1 3 324.513 2.375 20 0 DEADHO CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001375988454 1159037514 /nfs/dbraw/zinc/03/75/14/1159037514.db2.gz LSXJBVTYDKKPLZ-KGLIPLIRSA-N 1 3 319.440 2.056 20 0 DEADHO CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001375988454 1159037523 /nfs/dbraw/zinc/03/75/23/1159037523.db2.gz LSXJBVTYDKKPLZ-KGLIPLIRSA-N 1 3 319.440 2.056 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@@H](CNCCC(=O)Nc2cccnc2)C1 ZINC001335397051 1150406724 /nfs/dbraw/zinc/40/67/24/1150406724.db2.gz CMDODVICXMOZBJ-AWEZNQCLSA-N 1 3 304.438 2.120 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@@H](CNCCC(=O)Nc2cccnc2)C1 ZINC001335397051 1150406731 /nfs/dbraw/zinc/40/67/31/1150406731.db2.gz CMDODVICXMOZBJ-AWEZNQCLSA-N 1 3 304.438 2.120 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1 ZINC001402504550 1162373164 /nfs/dbraw/zinc/37/31/64/1162373164.db2.gz KCSAVHWMUBTSKD-QAQDUYKDSA-N 1 3 309.498 2.393 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001402637304 1162422151 /nfs/dbraw/zinc/42/21/51/1162422151.db2.gz SQNQOACTDDYHCY-XYPHTWIQSA-N 1 3 321.440 2.465 20 0 DEADHO CC[C@H](F)C[NH2+]C1(CC)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001402709235 1162446730 /nfs/dbraw/zinc/44/67/30/1162446730.db2.gz ZZTUZBKSBRFVMF-ZDUSSCGKSA-N 1 3 310.417 2.061 20 0 DEADHO C[C@H](NC(=O)C(C)(C)N1CCCC1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001402771971 1162467314 /nfs/dbraw/zinc/46/73/14/1162467314.db2.gz VPXHBDODCNMKQE-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](NC(=O)C(C)(C)N1CCCC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001402771971 1162467316 /nfs/dbraw/zinc/46/73/16/1162467316.db2.gz VPXHBDODCNMKQE-RDJZCZTQSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CC[N@@H+]1CC1CCC1)N1CCCCC1 ZINC001379976569 1152722974 /nfs/dbraw/zinc/72/29/74/1152722974.db2.gz WGMMPBYYHIQEEG-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@H](C(=O)NC1(C)CC[NH+](CC[C@@H](C)F)CC1)N(C)C ZINC001380295982 1152783329 /nfs/dbraw/zinc/78/33/29/1152783329.db2.gz XIUAZGVHIWHEAA-ZIAGYGMSSA-N 1 3 301.450 2.045 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](C[C@@H](C)CC(C)C)C[C@@H]2C1)N(C)C ZINC001380701824 1152846761 /nfs/dbraw/zinc/84/67/61/1152846761.db2.gz CFMBEGQIXPDGLO-WNRNVDISSA-N 1 3 323.525 2.399 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](C[C@@H](C)CC(C)C)C[C@@H]2C1)N(C)C ZINC001380701824 1152846762 /nfs/dbraw/zinc/84/67/62/1152846762.db2.gz CFMBEGQIXPDGLO-WNRNVDISSA-N 1 3 323.525 2.399 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](C(=O)N(CCN(C)C)C2CCCC2)C1 ZINC001362245584 1152859618 /nfs/dbraw/zinc/85/96/18/1152859618.db2.gz BJQKLLLDQABFAP-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](C(=O)N(CCN(C)C)C2CCCC2)C1 ZINC001362245584 1152859620 /nfs/dbraw/zinc/85/96/20/1152859620.db2.gz BJQKLLLDQABFAP-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[NH+]1CCC(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC001362282489 1152867962 /nfs/dbraw/zinc/86/79/62/1152867962.db2.gz RMXBUOAYTUDRMX-ZBFHGGJFSA-N 1 3 307.482 2.096 20 0 DEADHO Cc1ccc(F)c(CN[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001402892120 1162520908 /nfs/dbraw/zinc/52/09/08/1162520908.db2.gz NWCPUIYPTDGUTO-SQWLQELKSA-N 1 3 321.440 2.069 20 0 DEADHO Cc1ccc(F)c(CN[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001402892120 1162520915 /nfs/dbraw/zinc/52/09/15/1162520915.db2.gz NWCPUIYPTDGUTO-SQWLQELKSA-N 1 3 321.440 2.069 20 0 DEADHO CC1CC[NH+](CC[C@H]2CCCN2C(=O)Cc2c[nH]cn2)CC1 ZINC001362775921 1153084420 /nfs/dbraw/zinc/08/44/20/1153084420.db2.gz NUZCRILWIIBZHR-MRXNPFEDSA-N 1 3 304.438 2.065 20 0 DEADHO CCN1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001362980067 1153170634 /nfs/dbraw/zinc/17/06/34/1153170634.db2.gz VDDUUXXSVNIFCK-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)[C@@H](CCN(C)C(=O)CN1CCCC1)[NH2+]C/C=C/Cl ZINC001381713273 1153192848 /nfs/dbraw/zinc/19/28/48/1153192848.db2.gz DROBTGHROBBUOR-PMGBHYCQSA-N 1 3 315.889 2.297 20 0 DEADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]Cc1cccc(F)c1 ZINC001382095723 1153355213 /nfs/dbraw/zinc/35/52/13/1153355213.db2.gz VOPGXBIFYXYOIY-AWEZNQCLSA-N 1 3 321.440 2.247 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001382168857 1153387273 /nfs/dbraw/zinc/38/72/73/1153387273.db2.gz UHAJMVHZIXDNBU-XLNAKTSKSA-N 1 3 317.477 2.477 20 0 DEADHO CC(C)CC[C@@H](CO)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001363651330 1153527733 /nfs/dbraw/zinc/52/77/33/1153527733.db2.gz KNUPQHKIMIRWAV-ADKAHSJRSA-N 1 3 312.498 2.407 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)OCCc1ccccc1 ZINC001364034012 1153772607 /nfs/dbraw/zinc/77/26/07/1153772607.db2.gz XMJOLOKHJCOKBJ-INIZCTEOSA-N 1 3 321.465 2.227 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)OCCc1ccccc1 ZINC001364034012 1153772609 /nfs/dbraw/zinc/77/26/09/1153772609.db2.gz XMJOLOKHJCOKBJ-INIZCTEOSA-N 1 3 321.465 2.227 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001388704522 1155071440 /nfs/dbraw/zinc/07/14/40/1155071440.db2.gz UGRWOVITTSQJIA-UGJSGUFQSA-N 1 3 313.873 2.098 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CC12CC[NH+](CCC(C)C)CC2)N(C)C ZINC001389515572 1155358992 /nfs/dbraw/zinc/35/89/92/1155358992.db2.gz DAICXGZCCBEMNM-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001389881835 1155460452 /nfs/dbraw/zinc/46/04/52/1155460452.db2.gz JOSCIHHCUUGQDA-SHTZXODSSA-N 1 3 323.868 2.419 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@H+](CC3CCC3)CC[C@@H]21 ZINC001389965342 1155484689 /nfs/dbraw/zinc/48/46/89/1155484689.db2.gz WEZSDKARRBOLSA-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@@H+](CC3CCC3)CC[C@@H]21 ZINC001389965342 1155484691 /nfs/dbraw/zinc/48/46/91/1155484691.db2.gz WEZSDKARRBOLSA-MSOLQXFVSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[NH2+]CC1CC(C)C1 ZINC001390163077 1155553045 /nfs/dbraw/zinc/55/30/45/1155553045.db2.gz WOEACYUCIOILHA-JCYILVPMSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)NC1CCC([NH2+]CCC2CC2)CC1)N(C)C ZINC001390270823 1155618061 /nfs/dbraw/zinc/61/80/61/1155618061.db2.gz IFSNOFDPWKMVNT-JCYILVPMSA-N 1 3 309.498 2.390 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001390405780 1155704570 /nfs/dbraw/zinc/70/45/70/1155704570.db2.gz RPNWTNDZHJWDPZ-KBPBESRZSA-N 1 3 321.440 2.465 20 0 DEADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CCc1ccccc1 ZINC001390487062 1155757859 /nfs/dbraw/zinc/75/78/59/1155757859.db2.gz WXQCASYQUJCNTD-INIZCTEOSA-N 1 3 319.493 2.301 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)cc1C ZINC001390511074 1155776190 /nfs/dbraw/zinc/77/61/90/1155776190.db2.gz UBZSISGKKBNUPU-CQSZACIVSA-N 1 3 309.429 2.070 20 0 DEADHO CC[N@H+](C)CCC(=O)NCCN(C)[C@H](C)c1ccc(F)cc1 ZINC001390841467 1155888819 /nfs/dbraw/zinc/88/88/19/1155888819.db2.gz AJBFELOYINGKID-CQSZACIVSA-N 1 3 309.429 2.277 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCCN(C)[C@H](C)c1ccc(F)cc1 ZINC001390841467 1155888822 /nfs/dbraw/zinc/88/88/22/1155888822.db2.gz AJBFELOYINGKID-CQSZACIVSA-N 1 3 309.429 2.277 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2C)C1)N(C)C ZINC001391104962 1156117693 /nfs/dbraw/zinc/11/76/93/1156117693.db2.gz JSMHEWJPXNAQEK-FUHWJXTLSA-N 1 3 317.477 2.273 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2C)C1)N(C)C ZINC001391104962 1156117719 /nfs/dbraw/zinc/11/77/19/1156117719.db2.gz JSMHEWJPXNAQEK-FUHWJXTLSA-N 1 3 317.477 2.273 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001391114611 1156131507 /nfs/dbraw/zinc/13/15/07/1156131507.db2.gz GVHLZOMHQFRAPL-AWEZNQCLSA-N 1 3 309.479 2.026 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001391114611 1156131510 /nfs/dbraw/zinc/13/15/10/1156131510.db2.gz GVHLZOMHQFRAPL-AWEZNQCLSA-N 1 3 309.479 2.026 20 0 DEADHO C[C@@H](NCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1F ZINC001391233575 1156271775 /nfs/dbraw/zinc/27/17/75/1156271775.db2.gz ZRXGYKYPAHYHOF-HUUCEWRRSA-N 1 3 321.440 2.277 20 0 DEADHO C[C@@H](NCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)c1ccccc1F ZINC001391233575 1156271792 /nfs/dbraw/zinc/27/17/92/1156271792.db2.gz ZRXGYKYPAHYHOF-HUUCEWRRSA-N 1 3 321.440 2.277 20 0 DEADHO CC(C)[NH2+][C@H](CNC(=O)CN1CC[C@@H](C)C1)c1ccccc1 ZINC001391244951 1156280803 /nfs/dbraw/zinc/28/08/03/1156280803.db2.gz NDVNKAOXALPNIR-NVXWUHKLSA-N 1 3 303.450 2.184 20 0 DEADHO CN(CC(=O)N1CC[C@H](C[N@H+](C)CCC2CC2)C1)C1CCC1 ZINC001391350290 1156349516 /nfs/dbraw/zinc/34/95/16/1156349516.db2.gz FTDULMGNEUJDLU-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001391359119 1156357039 /nfs/dbraw/zinc/35/70/39/1156357039.db2.gz ZIQGXSKGYRECFZ-IAGOWNOFSA-N 1 3 311.514 2.399 20 0 DEADHO CC(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001391359119 1156357046 /nfs/dbraw/zinc/35/70/46/1156357046.db2.gz ZIQGXSKGYRECFZ-IAGOWNOFSA-N 1 3 311.514 2.399 20 0 DEADHO CC[N@H+](CCNC(=O)C1(N(C)C)CCC1)CC1CCCCC1 ZINC001372357321 1156371873 /nfs/dbraw/zinc/37/18/73/1156371873.db2.gz DTSZYMGGJXQXMQ-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)CC1CCCCC1 ZINC001372357321 1156371879 /nfs/dbraw/zinc/37/18/79/1156371879.db2.gz DTSZYMGGJXQXMQ-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1C[NH+](CC2CC3(CCC3)C2)C1)N(C)C ZINC001391490008 1156457831 /nfs/dbraw/zinc/45/78/31/1156457831.db2.gz YRDDCRCVCOEPKN-KRWDZBQOSA-N 1 3 321.509 2.201 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H](CC)CNC(=O)C(C)(C)N1CCCCC1 ZINC001391689530 1156697614 /nfs/dbraw/zinc/69/76/14/1156697614.db2.gz FLBBOUPDRJMNRE-HUUCEWRRSA-N 1 3 315.477 2.483 20 0 DEADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+]Cc1ccccc1F ZINC001391912877 1156831080 /nfs/dbraw/zinc/83/10/80/1156831080.db2.gz FZSAOXHAUMWSBL-CQSZACIVSA-N 1 3 321.440 2.152 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)CN(C)C(C)C)c(C)c1 ZINC001391967117 1156842946 /nfs/dbraw/zinc/84/29/46/1156842946.db2.gz OUBKBPAIXVQJGU-INIZCTEOSA-N 1 3 319.493 2.486 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]([NH2+]CCC(F)(F)F)C(C)C)N(C)C ZINC001392248594 1156914453 /nfs/dbraw/zinc/91/44/53/1156914453.db2.gz QKNDMOKSANDLRR-VXGBXAGGSA-N 1 3 311.392 2.009 20 0 DEADHO C[C@H](c1ccccc1)[NH+]1CC(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001373515339 1157077509 /nfs/dbraw/zinc/07/75/09/1157077509.db2.gz VYGUFPACWVESQC-OAHLLOKOSA-N 1 3 315.461 2.280 20 0 DEADHO CC(C)C[C@H](C)C[NH+]1CC(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001373546682 1157090219 /nfs/dbraw/zinc/09/02/19/1157090219.db2.gz PIJUMQYNLIIIBG-DOTOQJQBSA-N 1 3 311.514 2.303 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CC1)N(C)C ZINC001403314910 1162847988 /nfs/dbraw/zinc/84/79/88/1162847988.db2.gz MSQSGDFLMIUIAV-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CC1)N(C)C ZINC001403314910 1162847990 /nfs/dbraw/zinc/84/79/90/1162847990.db2.gz MSQSGDFLMIUIAV-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO Cc1cccc(CN(C)C[C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001392717529 1157367589 /nfs/dbraw/zinc/36/75/89/1157367589.db2.gz AIPJCAUQFJKTDA-FUHWJXTLSA-N 1 3 317.477 2.273 20 0 DEADHO Cc1cccc(CN(C)C[C@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001392717529 1157367597 /nfs/dbraw/zinc/36/75/97/1157367597.db2.gz AIPJCAUQFJKTDA-FUHWJXTLSA-N 1 3 317.477 2.273 20 0 DEADHO Cc1cccc([C@@H](C)N(C)CCNC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001492816958 1157579874 /nfs/dbraw/zinc/57/98/74/1157579874.db2.gz NEPKBLHISADVAL-IAGOWNOFSA-N 1 3 317.477 2.446 20 0 DEADHO Cc1cccc([C@@H](C)N(C)CCNC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001492816958 1157579881 /nfs/dbraw/zinc/57/98/81/1157579881.db2.gz NEPKBLHISADVAL-IAGOWNOFSA-N 1 3 317.477 2.446 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C)c(C)c1)N(C)C ZINC001374073912 1157599573 /nfs/dbraw/zinc/59/95/73/1157599573.db2.gz IJMLEPLNUTZBAV-KSSFIOAISA-N 1 3 319.493 2.486 20 0 DEADHO CC[C@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001393051426 1157633685 /nfs/dbraw/zinc/63/36/85/1157633685.db2.gz FRLBESQTOZRWLZ-RDJZCZTQSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]C/C=C/Cl ZINC001403439715 1162882869 /nfs/dbraw/zinc/88/28/69/1162882869.db2.gz CUQRAPLJJGJLQE-SIEMXDPISA-N 1 3 315.889 2.486 20 0 DEADHO CN(CC(=O)NCC1([NH2+]CC2CC2)CCCC1)CC(C)(C)C ZINC001374171252 1157687427 /nfs/dbraw/zinc/68/74/27/1157687427.db2.gz DFSVBVVGEOFNPM-UHFFFAOYSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)[NH2+]C[C@@H](C)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001374284927 1157802472 /nfs/dbraw/zinc/80/24/72/1157802472.db2.gz WGZOEQCNRIEPDS-CZUORRHYSA-N 1 3 301.450 2.044 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001374322893 1157812784 /nfs/dbraw/zinc/81/27/84/1157812784.db2.gz UPOYJRBYDYGMBR-YOEHRIQHSA-N 1 3 323.456 2.348 20 0 DEADHO CC(C)CC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001374379215 1157833079 /nfs/dbraw/zinc/83/30/79/1157833079.db2.gz UWKCRLADIMUGLN-WBVHZDCISA-N 1 3 309.498 2.343 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC(CC[N@H+](C)CCC2CC2)CC1 ZINC001374400549 1157839963 /nfs/dbraw/zinc/83/99/63/1157839963.db2.gz IDTBAWWEHCLOJF-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)CCC2CC2)CC1 ZINC001374400549 1157839964 /nfs/dbraw/zinc/83/99/64/1157839964.db2.gz IDTBAWWEHCLOJF-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CCc1cccc(C[N@@H+](C)CCN(C)C(=O)[C@H](CC)N(C)C)c1 ZINC001374552833 1157897251 /nfs/dbraw/zinc/89/72/51/1157897251.db2.gz ZDHRYKDXCVSJFW-SFHVURJKSA-N 1 3 319.493 2.479 20 0 DEADHO CCc1cccc(C[N@H+](C)CCN(C)C(=O)[C@H](CC)N(C)C)c1 ZINC001374552833 1157897256 /nfs/dbraw/zinc/89/72/56/1157897256.db2.gz ZDHRYKDXCVSJFW-SFHVURJKSA-N 1 3 319.493 2.479 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCC2CC2)C1 ZINC001374566845 1157909105 /nfs/dbraw/zinc/90/91/05/1157909105.db2.gz PWWZBHSTJKDVCG-DLBZAZTESA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCC2CC2)C1 ZINC001374566845 1157909114 /nfs/dbraw/zinc/90/91/14/1157909114.db2.gz PWWZBHSTJKDVCG-DLBZAZTESA-N 1 3 307.482 2.050 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H](C)[NH2+]CCc1ccccc1 ZINC001393936463 1158084509 /nfs/dbraw/zinc/08/45/09/1158084509.db2.gz RRYSOUPOSWWRSP-HZPDHXFCSA-N 1 3 317.477 2.196 20 0 DEADHO C[C@@H](NCc1cncs1)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001394010692 1158160053 /nfs/dbraw/zinc/16/00/53/1158160053.db2.gz XOHGZTDAEUPDBK-ZIAGYGMSSA-N 1 3 324.494 2.002 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001375273777 1158421113 /nfs/dbraw/zinc/42/11/13/1158421113.db2.gz UMRGGPSPCXZIET-MRXNPFEDSA-N 1 3 318.465 2.181 20 0 DEADHO CC1CC(C[NH2+]C[C@H]2C[C@H](NC(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001394373816 1158443814 /nfs/dbraw/zinc/44/38/14/1158443814.db2.gz BJWKAUQUEDXKNR-GWEOLNPGSA-N 1 3 323.525 2.495 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)NC/C=C\Cl)[NH+]1CCCC1 ZINC001394563743 1158636133 /nfs/dbraw/zinc/63/61/33/1158636133.db2.gz BQAXZNSPOIHADQ-XAQJJABOSA-N 1 3 315.889 2.296 20 0 DEADHO C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)NC/C=C/Cl ZINC001394568935 1158638836 /nfs/dbraw/zinc/63/88/36/1158638836.db2.gz VQABNDZRRYKINX-IZPAUZPXSA-N 1 3 301.862 2.051 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@]2(CC[N@H+](CC3CC(C)C3)C2)C1 ZINC001375641911 1158836180 /nfs/dbraw/zinc/83/61/80/1158836180.db2.gz KQKQRIGUEFFPKJ-FAFZWHIHSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@]2(CC[N@@H+](CC3CC(C)C3)C2)C1 ZINC001375641911 1158836181 /nfs/dbraw/zinc/83/61/81/1158836181.db2.gz KQKQRIGUEFFPKJ-FAFZWHIHSA-N 1 3 321.509 2.297 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)c1 ZINC001403563979 1163006777 /nfs/dbraw/zinc/00/67/77/1163006777.db2.gz KBDKAWIGUQEACP-SJLPKXTDSA-N 1 3 317.477 2.192 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C)c1 ZINC001403563979 1163006781 /nfs/dbraw/zinc/00/67/81/1163006781.db2.gz KBDKAWIGUQEACP-SJLPKXTDSA-N 1 3 317.477 2.192 20 0 DEADHO CC[C@H](F)C[NH2+][C@@H](C)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001403598748 1163037668 /nfs/dbraw/zinc/03/76/68/1163037668.db2.gz VJUVNUYISBVGDP-KBPBESRZSA-N 1 3 303.466 2.149 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc2c(c1)CCC2)N(C)C ZINC001376808900 1159809031 /nfs/dbraw/zinc/80/90/31/1159809031.db2.gz IOHUXGRYFJQNJW-KDOFPFPSSA-N 1 3 317.477 2.110 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1cccc(C)c1 ZINC001376846039 1159821275 /nfs/dbraw/zinc/82/12/75/1159821275.db2.gz HAQHHMWCTYPEMR-CVEARBPZSA-N 1 3 305.466 2.492 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001376857880 1159824865 /nfs/dbraw/zinc/82/48/65/1159824865.db2.gz UHOOLVSVKLSDHK-CJNGLKHVSA-N 1 3 309.429 2.069 20 0 DEADHO CC(C)(C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC2)C1)N1CCCCC1 ZINC001397045926 1159918089 /nfs/dbraw/zinc/91/80/89/1159918089.db2.gz CZRTWCLIRHUWKR-IYBDPMFKSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]CC=C(Cl)Cl)N(C)C ZINC001377511618 1160448626 /nfs/dbraw/zinc/44/86/26/1160448626.db2.gz FPGFFPRWFIGIRJ-AAEUAGOBSA-N 1 3 324.296 2.376 20 0 DEADHO C[C@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1F ZINC001377582718 1160563920 /nfs/dbraw/zinc/56/39/20/1160563920.db2.gz ZRECOUKWEYWUSY-SQWLQELKSA-N 1 3 321.440 2.275 20 0 DEADHO C[C@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1F ZINC001377582718 1160563933 /nfs/dbraw/zinc/56/39/33/1160563933.db2.gz ZRECOUKWEYWUSY-SQWLQELKSA-N 1 3 321.440 2.275 20 0 DEADHO CCc1ccccc1CN(C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001403752942 1163137915 /nfs/dbraw/zinc/13/79/15/1163137915.db2.gz RXZAGSZNPHPUAY-SFHVURJKSA-N 1 3 319.493 2.383 20 0 DEADHO CN(CC(=O)NCC1C[NH+](CCC(C)(C)C)C1)CC(C)(C)C ZINC001377996288 1160896513 /nfs/dbraw/zinc/89/65/13/1160896513.db2.gz MTOPQGINVLBBLZ-UHFFFAOYSA-N 1 3 311.514 2.449 20 0 DEADHO CCCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001398680564 1161053204 /nfs/dbraw/zinc/05/32/04/1161053204.db2.gz FVTXAIMWDMZMIT-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CCCC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001398680564 1161053211 /nfs/dbraw/zinc/05/32/11/1161053211.db2.gz FVTXAIMWDMZMIT-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](CCC(F)(F)F)C1)N(C)C ZINC001398708533 1161067683 /nfs/dbraw/zinc/06/76/83/1161067683.db2.gz QBEUPTSLSVBEIX-QWHCGFSZSA-N 1 3 323.403 2.107 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CCC(F)(F)F)C1)N(C)C ZINC001398708533 1161067688 /nfs/dbraw/zinc/06/76/88/1161067688.db2.gz QBEUPTSLSVBEIX-QWHCGFSZSA-N 1 3 323.403 2.107 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001398919559 1161149868 /nfs/dbraw/zinc/14/98/68/1161149868.db2.gz KJQZVBDELWGLME-RHSMWYFYSA-N 1 3 321.440 2.293 20 0 DEADHO Cc1cc(C[NH2+][C@H](C)CNC(=O)CN(C)C2CCC2)c(C)s1 ZINC001398937578 1161159214 /nfs/dbraw/zinc/15/92/14/1161159214.db2.gz CGYLBXZRJSOORF-GFCCVEGCSA-N 1 3 323.506 2.444 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001400199600 1161685154 /nfs/dbraw/zinc/68/51/54/1161685154.db2.gz JFEKLIJKFKMMLB-INIZCTEOSA-N 1 3 318.465 2.279 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001400199600 1161685155 /nfs/dbraw/zinc/68/51/55/1161685155.db2.gz JFEKLIJKFKMMLB-INIZCTEOSA-N 1 3 318.465 2.279 20 0 DEADHO Cc1cccc(CN2CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC001400498593 1161755250 /nfs/dbraw/zinc/75/52/50/1161755250.db2.gz HEWWRPJUZGGXCT-SFHVURJKSA-N 1 3 317.477 2.129 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)C/C=C/c1ccccc1)N(C)C ZINC001401775433 1162124648 /nfs/dbraw/zinc/12/46/48/1162124648.db2.gz HPIQVEOEHOENRP-BSECCWRJSA-N 1 3 317.477 2.477 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)C/C=C/c1ccccc1)N(C)C ZINC001401775433 1162124651 /nfs/dbraw/zinc/12/46/51/1162124651.db2.gz HPIQVEOEHOENRP-BSECCWRJSA-N 1 3 317.477 2.477 20 0 DEADHO CC[N@H+](C)CCC(=O)N(C)C1CN(CC2CCCCCC2)C1 ZINC001402044166 1162226430 /nfs/dbraw/zinc/22/64/30/1162226430.db2.gz WPHAIRRPHIXHMW-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CC[N@@H+](C)CCC(=O)N(C)C1CN(CC2CCCCCC2)C1 ZINC001402044166 1162226434 /nfs/dbraw/zinc/22/64/34/1162226434.db2.gz WPHAIRRPHIXHMW-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CC1(C)C ZINC001403807378 1163208267 /nfs/dbraw/zinc/20/82/67/1163208267.db2.gz KBXUYXLVPOOWJX-CVEARBPZSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC2CC(C)C2)C(C)(C)C1 ZINC001403828430 1163236647 /nfs/dbraw/zinc/23/66/47/1163236647.db2.gz GNYIELOXSDWQOG-GPANFISMSA-N 1 3 309.498 2.199 20 0 DEADHO CC[C@H](C(=O)N(C)CC[NH2+][C@@H](C)c1cccc(OC)c1)N(C)C ZINC001404318969 1163583705 /nfs/dbraw/zinc/58/37/05/1163583705.db2.gz NBJNAUKNJNLNHG-WMLDXEAASA-N 1 3 321.465 2.144 20 0 DEADHO C[C@H](NCCN(C)C(=O)C12CC[NH+](CC1)C2)c1ccccc1F ZINC001404490736 1163680039 /nfs/dbraw/zinc/68/00/39/1163680039.db2.gz YAABIPJIVIWPMG-AWEZNQCLSA-N 1 3 319.424 2.031 20 0 DEADHO CN1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)C/C=C/Cl)C1 ZINC001404575442 1163717114 /nfs/dbraw/zinc/71/71/14/1163717114.db2.gz JDBCFRUABXVWBS-QKNOVVFDSA-N 1 3 313.873 2.004 20 0 DEADHO CN1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)C/C=C/Cl)C1 ZINC001404575442 1163717120 /nfs/dbraw/zinc/71/71/20/1163717120.db2.gz JDBCFRUABXVWBS-QKNOVVFDSA-N 1 3 313.873 2.004 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1C[NH+](CCC2CCCC2)C1 ZINC001404934267 1163864269 /nfs/dbraw/zinc/86/42/69/1163864269.db2.gz UWWLZOCEUSPJCN-HOTGVXAUSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]CC1CC1 ZINC001405334894 1164054539 /nfs/dbraw/zinc/05/45/39/1164054539.db2.gz DZHVOJAMRUSCFV-KRWDZBQOSA-N 1 3 303.450 2.256 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@](C)(NC(=O)Cc1nc[nH]c1C)C1CC1 ZINC001405466102 1164105797 /nfs/dbraw/zinc/10/57/97/1164105797.db2.gz MWBMHGFDDJEINI-PXAZEXFGSA-N 1 3 306.454 2.181 20 0 DEADHO CCCC[N@H+](C)CCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001406132770 1164467993 /nfs/dbraw/zinc/46/79/93/1164467993.db2.gz WJBZRWRPOCXJDX-KRWDZBQOSA-N 1 3 315.477 2.389 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[N@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001406156120 1164481715 /nfs/dbraw/zinc/48/17/15/1164481715.db2.gz UWCRZSWXTXYIIQ-CQSZACIVSA-N 1 3 319.440 2.154 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[N@@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001406156120 1164481720 /nfs/dbraw/zinc/48/17/20/1164481720.db2.gz UWCRZSWXTXYIIQ-CQSZACIVSA-N 1 3 319.440 2.154 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CCC(C)(C)C)CCN1C(=O)CN1CCCC1 ZINC001407080528 1164959162 /nfs/dbraw/zinc/95/91/62/1164959162.db2.gz CZKIZMYFZYPQRA-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001417618279 1167088654 /nfs/dbraw/zinc/08/86/54/1167088654.db2.gz QULNGYICHKHYRG-RYRKJORJSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1)N(C)C ZINC001417946977 1167320847 /nfs/dbraw/zinc/32/08/47/1167320847.db2.gz BSQGALVJXMGUIC-HOTGVXAUSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1)N(C)C ZINC001417946977 1167320855 /nfs/dbraw/zinc/32/08/55/1167320855.db2.gz BSQGALVJXMGUIC-HOTGVXAUSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C)N1CCCCC1 ZINC001418161362 1167451844 /nfs/dbraw/zinc/45/18/44/1167451844.db2.gz MFVIIMHFSZWLCM-HRCADAONSA-N 1 3 309.498 2.342 20 0 DEADHO CCCN(C)CC(=O)NC1CCC([NH2+]CCC(F)(F)F)CC1 ZINC001418190077 1167472977 /nfs/dbraw/zinc/47/29/77/1167472977.db2.gz VZZHAQBXJSUFIY-UHFFFAOYSA-N 1 3 323.403 2.298 20 0 DEADHO Cc1cccc(C[NH2+][C@@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001418234677 1167508412 /nfs/dbraw/zinc/50/84/12/1167508412.db2.gz MAHPVJJPUORKRH-HNNXBMFYSA-N 1 3 303.450 2.074 20 0 DEADHO CCc1cccc(C[NH2+][C@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001418238834 1167511652 /nfs/dbraw/zinc/51/16/52/1167511652.db2.gz XOVVXPNHFPVBFS-OAHLLOKOSA-N 1 3 317.477 2.328 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001418347500 1167589180 /nfs/dbraw/zinc/58/91/80/1167589180.db2.gz HOVKQYLPAOOMKO-INIZCTEOSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@H](CC[NH+](C)C)C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC001418356419 1167590877 /nfs/dbraw/zinc/59/08/77/1167590877.db2.gz LIQIUQLSPVCQNM-VQIMIIECSA-N 1 3 317.477 2.355 20 0 DEADHO CC[C@H](C(=O)N1CCC([C@H](C)[NH2+]C/C=C\Cl)CC1)N(C)C ZINC001418843545 1168004562 /nfs/dbraw/zinc/00/45/62/1168004562.db2.gz JAYPWDSFGFPKSK-PSASAPJRSA-N 1 3 315.889 2.296 20 0 DEADHO CC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001419229115 1168330262 /nfs/dbraw/zinc/33/02/62/1168330262.db2.gz YOMSJKVIKAKDLM-DLBZAZTESA-N 1 3 323.456 2.459 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]([NH2+]C/C=C/Cl)C1CC1 ZINC001419250243 1168346440 /nfs/dbraw/zinc/34/64/40/1168346440.db2.gz KEFCSBWIIISCHL-VSWCJUERSA-N 1 3 313.873 2.096 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H]([NH2+]C/C=C\Cl)CC1 ZINC001419377997 1168431693 /nfs/dbraw/zinc/43/16/93/1168431693.db2.gz PMNJVJNLQSCSGO-XVXTZACYSA-N 1 3 310.829 2.030 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+]CC1CC2(CCC2)C1 ZINC001419524748 1168574122 /nfs/dbraw/zinc/57/41/22/1168574122.db2.gz GQXSAYKLVUNPLP-CYBMUJFWSA-N 1 3 318.465 2.183 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001419910862 1168907260 /nfs/dbraw/zinc/90/72/60/1168907260.db2.gz UTNGSSANLVBRRA-JQWIXIFHSA-N 1 3 317.886 2.336 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(C)cc1C)N(C)C ZINC001420304921 1169340244 /nfs/dbraw/zinc/34/02/44/1169340244.db2.gz DDDIWPDGQQTQGQ-NVXWUHKLSA-N 1 3 305.466 2.238 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001420549736 1169773345 /nfs/dbraw/zinc/77/33/45/1169773345.db2.gz CUEYXHBUXPBUGO-KRWDZBQOSA-N 1 3 309.498 2.347 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001420549736 1169773355 /nfs/dbraw/zinc/77/33/55/1169773355.db2.gz CUEYXHBUXPBUGO-KRWDZBQOSA-N 1 3 309.498 2.347 20 0 DEADHO Cc1ccccc1C[N@@H+](C)C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001420581926 1169810860 /nfs/dbraw/zinc/81/08/60/1169810860.db2.gz BUDJPNPLDBXMMU-INIZCTEOSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1ccccc1C[N@H+](C)C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001420581926 1169810862 /nfs/dbraw/zinc/81/08/62/1169810862.db2.gz BUDJPNPLDBXMMU-INIZCTEOSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1ccc(F)cc1CN(C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001420656156 1169855132 /nfs/dbraw/zinc/85/51/32/1169855132.db2.gz DGKICMWCCPXMOX-CABCVRRESA-N 1 3 321.440 2.022 20 0 DEADHO Cc1ccc(F)cc1CN(C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001420656156 1169855134 /nfs/dbraw/zinc/85/51/34/1169855134.db2.gz DGKICMWCCPXMOX-CABCVRRESA-N 1 3 321.440 2.022 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1(NCc2ccsc2)CC1)[NH+](C)C ZINC001420996530 1171413458 /nfs/dbraw/zinc/41/34/58/1171413458.db2.gz XPANNSYZZAJAAM-AWEZNQCLSA-N 1 3 309.479 2.073 20 0 DEADHO CC[C@@H](F)CNC1(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001421002946 1171420472 /nfs/dbraw/zinc/42/04/72/1171420472.db2.gz ADFLGTPHWUNXFS-CABCVRRESA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC1CC1)C2 ZINC001421031309 1171440551 /nfs/dbraw/zinc/44/05/51/1171440551.db2.gz NOLXHLYXZHHYJH-IBGZPJMESA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC1CC1)C2 ZINC001421031309 1171440558 /nfs/dbraw/zinc/44/05/58/1171440558.db2.gz NOLXHLYXZHHYJH-IBGZPJMESA-N 1 3 321.509 2.441 20 0 DEADHO CCC(CC)C[NH2+]C[C@@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001421130404 1171517715 /nfs/dbraw/zinc/51/77/15/1171517715.db2.gz QMLJFCVQMQZEPA-RDJZCZTQSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)Cc1c[nH]cn1 ZINC001421896007 1172100583 /nfs/dbraw/zinc/10/05/83/1172100583.db2.gz ZSABNRVAYCIXIO-OAHLLOKOSA-N 1 3 314.433 2.494 20 0 DEADHO C[C@H](c1ccccc1)[N@@H+](C)CCCN(C)C(=O)Cc1c[nH]cn1 ZINC001421896007 1172100588 /nfs/dbraw/zinc/10/05/88/1172100588.db2.gz ZSABNRVAYCIXIO-OAHLLOKOSA-N 1 3 314.433 2.494 20 0 DEADHO Cc1ccc(F)c(CN[C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001422386231 1172540161 /nfs/dbraw/zinc/54/01/61/1172540161.db2.gz NBBGWJONZJRCDH-UONOGXRCSA-N 1 3 309.429 2.069 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN[C@H](C)c1ccccc1F ZINC001422585707 1172733781 /nfs/dbraw/zinc/73/37/81/1172733781.db2.gz AKYSWUMYQQFNON-ZIAGYGMSSA-N 1 3 309.429 2.323 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN[C@H](C)c1ccccc1F ZINC001422585707 1172733787 /nfs/dbraw/zinc/73/37/87/1172733787.db2.gz AKYSWUMYQQFNON-ZIAGYGMSSA-N 1 3 309.429 2.323 20 0 DEADHO Cc1ncsc1CNC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001422610283 1172758435 /nfs/dbraw/zinc/75/84/35/1172758435.db2.gz RAWCPCOCDHNQKK-UHFFFAOYSA-N 1 3 308.495 2.100 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)C1C[NH+](CCC(C)(C)C)C1)N(C)C ZINC001422753751 1172844190 /nfs/dbraw/zinc/84/41/90/1172844190.db2.gz QJNWEYLRHHJWAB-GDBMZVCRSA-N 1 3 311.514 2.445 20 0 DEADHO C[C@H](c1cccc(F)c1)N(C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001422884478 1172896196 /nfs/dbraw/zinc/89/61/96/1172896196.db2.gz KMGFRZNGKKLQTK-UONOGXRCSA-N 1 3 309.429 2.275 20 0 DEADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3cc(-n4ccnc4)cs3)[C@H]2C1 ZINC001422970682 1172985961 /nfs/dbraw/zinc/98/59/61/1172985961.db2.gz KIWTYQKHTGSETN-RCBQFDQVSA-N 1 3 302.447 2.364 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]CC1CCCCC1)C1CC1)N(C)C ZINC001423027021 1173025335 /nfs/dbraw/zinc/02/53/35/1173025335.db2.gz ZKIKRRCQZXZWRI-IRXDYDNUSA-N 1 3 309.498 2.391 20 0 DEADHO C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1N(CCC(F)(F)F)CC2 ZINC001423354008 1173291239 /nfs/dbraw/zinc/29/12/39/1173291239.db2.gz QBOYRZQYJJPYAJ-OCCSQVGLSA-N 1 3 321.387 2.004 20 0 DEADHO CCCN1Cc2ccccc2C[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001424382937 1173777460 /nfs/dbraw/zinc/77/74/60/1173777460.db2.gz QPMWFXDLDDUGGW-SFHVURJKSA-N 1 3 317.477 2.281 20 0 DEADHO CCCN1Cc2ccccc2C[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001424382937 1173777467 /nfs/dbraw/zinc/77/74/67/1173777467.db2.gz QPMWFXDLDDUGGW-SFHVURJKSA-N 1 3 317.477 2.281 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)CC[N@@H+]1CC1CC1 ZINC001424546220 1173825831 /nfs/dbraw/zinc/82/58/31/1173825831.db2.gz GRVQJKOTDOPTAB-ZBFHGGJFSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)CC[N@H+]1CC1CC1 ZINC001424546220 1173825834 /nfs/dbraw/zinc/82/58/34/1173825834.db2.gz GRVQJKOTDOPTAB-ZBFHGGJFSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001424861161 1173996280 /nfs/dbraw/zinc/99/62/80/1173996280.db2.gz TYGITRUQUBXBLZ-CABCVRRESA-N 1 3 323.456 2.479 20 0 DEADHO CC(C)C[N@H+](C)[C@@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001425067804 1174161983 /nfs/dbraw/zinc/16/19/83/1174161983.db2.gz MKVLBRFCWXQLMT-HNNXBMFYSA-N 1 3 305.466 2.454 20 0 DEADHO CC(C)C[N@@H+](C)[C@@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001425067804 1174161987 /nfs/dbraw/zinc/16/19/87/1174161987.db2.gz MKVLBRFCWXQLMT-HNNXBMFYSA-N 1 3 305.466 2.454 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@H](C[NH2+]Cc1ccccc1)C1CC1)N(C)C ZINC001425524908 1174351654 /nfs/dbraw/zinc/35/16/54/1174351654.db2.gz QXVDESUKXCVBGP-ZWKOTPCHSA-N 1 3 317.477 2.353 20 0 DEADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC001425682512 1174457232 /nfs/dbraw/zinc/45/72/32/1174457232.db2.gz PLYDVWCKLPNHIL-MAUKXSAKSA-N 1 3 317.477 2.452 20 0 DEADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C)c(F)c1 ZINC001425681957 1174457450 /nfs/dbraw/zinc/45/74/50/1174457450.db2.gz OAEHJBOUEMQBIM-HNNXBMFYSA-N 1 3 323.456 2.412 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC2CC(C)C2)C(C)(C)C1 ZINC001425978555 1174549509 /nfs/dbraw/zinc/54/95/09/1174549509.db2.gz WEQWKQIQJREOQL-GPANFISMSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)N(CC[N@H+](C)Cc1ccccc1)C(=O)CN1CCCC1 ZINC001426129167 1174608273 /nfs/dbraw/zinc/60/82/73/1174608273.db2.gz MUBJQRRKDVLQFR-UHFFFAOYSA-N 1 3 317.477 2.451 20 0 DEADHO CC(C)N(CC[N@@H+](C)Cc1ccccc1)C(=O)CN1CCCC1 ZINC001426129167 1174608277 /nfs/dbraw/zinc/60/82/77/1174608277.db2.gz MUBJQRRKDVLQFR-UHFFFAOYSA-N 1 3 317.477 2.451 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CC1)C(C)(C)C ZINC001426133763 1174610229 /nfs/dbraw/zinc/61/02/29/1174610229.db2.gz GLCFXWACCNRXFJ-JKSUJKDBSA-N 1 3 309.498 2.390 20 0 DEADHO CC(C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C(F)(F)F ZINC001426210213 1174649240 /nfs/dbraw/zinc/64/92/40/1174649240.db2.gz KXBANMHRIXXEKJ-CHWSQXEVSA-N 1 3 323.403 2.104 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001427989677 1175214287 /nfs/dbraw/zinc/21/42/87/1175214287.db2.gz IQEGHPQTLPUUMY-DLBZAZTESA-N 1 3 322.497 2.177 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC001427989677 1175214292 /nfs/dbraw/zinc/21/42/92/1175214292.db2.gz IQEGHPQTLPUUMY-DLBZAZTESA-N 1 3 322.497 2.177 20 0 DEADHO CCC(CC)CN1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001433419127 1177823369 /nfs/dbraw/zinc/82/33/69/1177823369.db2.gz GYAAIJKXEMXYKJ-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CCC(CC)CN1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001433419127 1177823375 /nfs/dbraw/zinc/82/33/75/1177823375.db2.gz GYAAIJKXEMXYKJ-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@H](F)CC)C1 ZINC001436345848 1179055535 /nfs/dbraw/zinc/05/55/35/1179055535.db2.gz OARQOBOQAOLNJI-LVQVYYBASA-N 1 3 313.461 2.093 20 0 DEADHO CCCN(C)CC(=O)N1CCCCC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001436476235 1179130121 /nfs/dbraw/zinc/13/01/21/1179130121.db2.gz MYHVAOIRAYDROF-VIHMKRCTSA-N 1 3 315.889 2.442 20 0 DEADHO CC(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001436843935 1179276451 /nfs/dbraw/zinc/27/64/51/1179276451.db2.gz FIRJBNSNQOXESW-DLBZAZTESA-N 1 3 311.514 2.399 20 0 DEADHO CC(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001436843935 1179276457 /nfs/dbraw/zinc/27/64/57/1179276457.db2.gz FIRJBNSNQOXESW-DLBZAZTESA-N 1 3 311.514 2.399 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001436974419 1179325204 /nfs/dbraw/zinc/32/52/04/1179325204.db2.gz DEAKHOXTTPXKDM-UUAJXVIYSA-N 1 3 307.482 2.001 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCc1ccccc1 ZINC001437135783 1179466777 /nfs/dbraw/zinc/46/67/77/1179466777.db2.gz UMDRYZJQRXWNIB-FUHWJXTLSA-N 1 3 317.477 2.196 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCc1ccccc1 ZINC001437148199 1179486634 /nfs/dbraw/zinc/48/66/34/1179486634.db2.gz MNXMIQDDNOTWCX-WMZOPIPTSA-N 1 3 317.477 2.198 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CCNC(=O)CN(C)C(C)C)c(C)n1 ZINC001437424020 1179799311 /nfs/dbraw/zinc/79/93/11/1179799311.db2.gz ALJUKOITNSUUFE-CQSZACIVSA-N 1 3 320.481 2.023 20 0 DEADHO CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccccc1C1CC1 ZINC001437559189 1179846694 /nfs/dbraw/zinc/84/66/94/1179846694.db2.gz IQWLNZKHKXUSHH-QGZVFWFLSA-N 1 3 315.461 2.064 20 0 DEADHO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccccc1C1CC1 ZINC001437559189 1179846700 /nfs/dbraw/zinc/84/67/00/1179846700.db2.gz IQWLNZKHKXUSHH-QGZVFWFLSA-N 1 3 315.461 2.064 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001437742472 1179930749 /nfs/dbraw/zinc/93/07/49/1179930749.db2.gz UGVCIASVQQLUNT-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001437742472 1179930761 /nfs/dbraw/zinc/93/07/61/1179930761.db2.gz UGVCIASVQQLUNT-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO CN(CC(=O)NCC[N@H+](CCC(C)(C)C)C1CC1)C1CCC1 ZINC001437794555 1179994425 /nfs/dbraw/zinc/99/44/25/1179994425.db2.gz UHICKUBVVSPSBW-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CN(CC(=O)NCC[N@@H+](CCC(C)(C)C)C1CC1)C1CCC1 ZINC001437794555 1179994434 /nfs/dbraw/zinc/99/44/34/1179994434.db2.gz UHICKUBVVSPSBW-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](C(=O)NCC[C@@H]1CCN(CCF)C1)[NH+]1CCCCCC1 ZINC001437942932 1180096600 /nfs/dbraw/zinc/09/66/00/1180096600.db2.gz XUVAJYVPOGRQCW-JKSUJKDBSA-N 1 3 313.461 2.049 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CCC2CCCC2)C1 ZINC001437973921 1180119362 /nfs/dbraw/zinc/11/93/62/1180119362.db2.gz HDKUIKLYTAYJDD-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCC2CCCC2)C1 ZINC001437973921 1180119371 /nfs/dbraw/zinc/11/93/71/1180119371.db2.gz HDKUIKLYTAYJDD-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H](CN(C)Cc1cccc(F)c1)NC(=O)C1CC[NH+](C)CC1 ZINC001439366957 1181048696 /nfs/dbraw/zinc/04/86/96/1181048696.db2.gz SOOHZGVNUVNRER-CQSZACIVSA-N 1 3 321.440 2.104 20 0 DEADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCN2CCC2CCCCC2)C1 ZINC001439566036 1181146784 /nfs/dbraw/zinc/14/67/84/1181146784.db2.gz AFEJEVSRKSFWHD-MSOLQXFVSA-N 1 3 321.509 2.489 20 0 DEADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CCN2CCC2CCCCC2)C1 ZINC001439566036 1181146793 /nfs/dbraw/zinc/14/67/93/1181146793.db2.gz AFEJEVSRKSFWHD-MSOLQXFVSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@H+](CCF)C1CCCCCC1 ZINC001439691372 1181201335 /nfs/dbraw/zinc/20/13/35/1181201335.db2.gz CZMLVCHZPQRCQK-UHFFFAOYSA-N 1 3 315.477 2.437 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@@H+](CCF)C1CCCCCC1 ZINC001439691372 1181201339 /nfs/dbraw/zinc/20/13/39/1181201339.db2.gz CZMLVCHZPQRCQK-UHFFFAOYSA-N 1 3 315.477 2.437 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+]Cc2ccc(F)cc2)CCC1 ZINC001440352413 1181460499 /nfs/dbraw/zinc/46/04/99/1181460499.db2.gz JEFUGPWQOCJKKX-UHFFFAOYSA-N 1 3 321.440 2.294 20 0 DEADHO CC(C)(C(=O)NC[C@H]1C[C@H]([NH2+]C/C=C\Cl)C1)N1CCCC1 ZINC001440353902 1181461073 /nfs/dbraw/zinc/46/10/73/1181461073.db2.gz GUIPFCURAOMAHR-DZMCIORMSA-N 1 3 313.873 2.098 20 0 DEADHO CCC(CC)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001440600099 1181607324 /nfs/dbraw/zinc/60/73/24/1181607324.db2.gz BNJKKCOZJQKEMH-WMLDXEAASA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](CC2CCC2)CC1(C)C ZINC001440624336 1181617203 /nfs/dbraw/zinc/61/72/03/1181617203.db2.gz QYUVJRXOTFBUSG-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](CC2CCC2)CC1(C)C ZINC001440624336 1181617207 /nfs/dbraw/zinc/61/72/07/1181617207.db2.gz QYUVJRXOTFBUSG-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]CCc1cccs1 ZINC001440801629 1181700386 /nfs/dbraw/zinc/70/03/86/1181700386.db2.gz TZIQFGHYGIMQDM-KBPBESRZSA-N 1 3 323.506 2.258 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)NCC=C(Cl)Cl ZINC001440826504 1181715772 /nfs/dbraw/zinc/71/57/72/1181715772.db2.gz BVWDJYSGLOWIBZ-WDEREUQCSA-N 1 3 310.269 2.130 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H](C)NCC=C(Cl)Cl ZINC001440826504 1181715776 /nfs/dbraw/zinc/71/57/76/1181715776.db2.gz BVWDJYSGLOWIBZ-WDEREUQCSA-N 1 3 310.269 2.130 20 0 DEADHO C[N@H+](CCC(C)(C)C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001441393279 1181973399 /nfs/dbraw/zinc/97/33/99/1181973399.db2.gz KLQZOMQQNQGDPC-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO C[N@@H+](CCC(C)(C)C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001441393279 1181973405 /nfs/dbraw/zinc/97/34/05/1181973405.db2.gz KLQZOMQQNQGDPC-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(F)cc3)C2)CCC1 ZINC001441493196 1182022108 /nfs/dbraw/zinc/02/21/08/1182022108.db2.gz YCSVTOMIFMTWHW-IYBDPMFKSA-N 1 3 319.424 2.047 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CCCC2)C1)N(C)C ZINC001441578212 1182069973 /nfs/dbraw/zinc/06/99/73/1182069973.db2.gz DNLYJIYHYWCVFX-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CC2CCCC2)C1)N(C)C ZINC001441578212 1182069979 /nfs/dbraw/zinc/06/99/79/1182069979.db2.gz DNLYJIYHYWCVFX-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001441597028 1182081902 /nfs/dbraw/zinc/08/19/02/1182081902.db2.gz XIJUYPJMQHXENS-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCc1cccc(F)c1 ZINC001441855705 1182217778 /nfs/dbraw/zinc/21/77/78/1182217778.db2.gz FVRFQPFRZBOFSG-WMLDXEAASA-N 1 3 321.440 2.294 20 0 DEADHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCc1cccc(F)c1 ZINC001441855705 1182217785 /nfs/dbraw/zinc/21/77/85/1182217785.db2.gz FVRFQPFRZBOFSG-WMLDXEAASA-N 1 3 321.440 2.294 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](CNC/C(Cl)=C\Cl)C1 ZINC001442142058 1182343889 /nfs/dbraw/zinc/34/38/89/1182343889.db2.gz BAMPOFLNQYDBTI-OXBCTQFSSA-N 1 3 322.280 2.085 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](CNC/C(Cl)=C\Cl)C1 ZINC001442142058 1182343893 /nfs/dbraw/zinc/34/38/93/1182343893.db2.gz BAMPOFLNQYDBTI-OXBCTQFSSA-N 1 3 322.280 2.085 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+]Cc1ccccc1C ZINC001442328767 1182421486 /nfs/dbraw/zinc/42/14/86/1182421486.db2.gz HJGSHXYPCPLBRI-CQSZACIVSA-N 1 3 314.433 2.254 20 0 DEADHO Cc1ccc(C[N@@H+](C)CCNC(=O)CN(C)C2CCC2)c(C)c1 ZINC001442413508 1182461981 /nfs/dbraw/zinc/46/19/81/1182461981.db2.gz MMUHRACEEMQXDY-UHFFFAOYSA-N 1 3 317.477 2.336 20 0 DEADHO Cc1ccc(C[N@H+](C)CCNC(=O)CN(C)C2CCC2)c(C)c1 ZINC001442413508 1182461985 /nfs/dbraw/zinc/46/19/85/1182461985.db2.gz MMUHRACEEMQXDY-UHFFFAOYSA-N 1 3 317.477 2.336 20 0 DEADHO C[C@@H](C[NH2+]CC1CC(C)C1)N(C)C(=O)CN1CCC(C)CC1 ZINC001444698146 1183522138 /nfs/dbraw/zinc/52/21/38/1183522138.db2.gz UWVFNPDNUOYURY-CGZBRXJRSA-N 1 3 309.498 2.201 20 0 DEADHO CCC[N@H+](C)CCC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001444821443 1183570029 /nfs/dbraw/zinc/57/00/29/1183570029.db2.gz OKZIMEOYFLEWFJ-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@@H+](C)CCC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001444821443 1183570041 /nfs/dbraw/zinc/57/00/41/1183570041.db2.gz OKZIMEOYFLEWFJ-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO Cc1cc(C)cc(C[NH2+]C2(CNC(=O)CN(C)C(C)C)CC2)c1 ZINC001446292646 1184298331 /nfs/dbraw/zinc/29/83/31/1184298331.db2.gz CZEOGUBIPXAOGE-UHFFFAOYSA-N 1 3 317.477 2.382 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@](C)(C[NH2+]Cc2ccsc2)C1 ZINC001446620876 1184454604 /nfs/dbraw/zinc/45/46/04/1184454604.db2.gz YZWYOGDDQQVGEU-QGZVFWFLSA-N 1 3 323.506 2.417 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CCC[N@H+](C[C@@H](F)CC)CC1 ZINC001447322324 1184722398 /nfs/dbraw/zinc/72/23/98/1184722398.db2.gz QVZTTWBUTPCPIJ-GJZGRUSLSA-N 1 3 301.450 2.047 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CCC[N@@H+](C[C@@H](F)CC)CC1 ZINC001447322324 1184722403 /nfs/dbraw/zinc/72/24/03/1184722403.db2.gz QVZTTWBUTPCPIJ-GJZGRUSLSA-N 1 3 301.450 2.047 20 0 DEADHO C[C@@H](CNC(=O)CC[NH+](C)C)N(C)[C@@H]1CCc2ccc(F)cc21 ZINC001448093548 1185071652 /nfs/dbraw/zinc/07/16/52/1185071652.db2.gz YNVBNDMVDVNDBO-SUMWQHHRSA-N 1 3 321.440 2.201 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001448528327 1185277258 /nfs/dbraw/zinc/27/72/58/1185277258.db2.gz HXUGXHDGAYTPRD-XIRDDKMYSA-N 1 3 321.509 2.391 20 0 DEADHO C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)NC/C=C\Cl ZINC001448677456 1185358558 /nfs/dbraw/zinc/35/85/58/1185358558.db2.gz IYKXZFOGLLTDTG-RFGQWYDFSA-N 1 3 301.862 2.050 20 0 DEADHO C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)NC/C=C\Cl ZINC001448677456 1185358564 /nfs/dbraw/zinc/35/85/64/1185358564.db2.gz IYKXZFOGLLTDTG-RFGQWYDFSA-N 1 3 301.862 2.050 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]C/C=C\Cl)CN1C(=O)CN1CCC(C)CC1 ZINC001449000605 1185478291 /nfs/dbraw/zinc/47/82/91/1185478291.db2.gz DDKPEIJFYASKMB-DLRQWSEHSA-N 1 3 313.873 2.050 20 0 DEADHO CN(Cc1ccc(N2CCC(C3C[NH2+]C3)CC2)nc1)C1CC1 ZINC001164614881 719037840 /nfs/dbraw/zinc/03/78/40/719037840.db2.gz HNJPUWQTSSTZRA-UHFFFAOYSA-N 1 3 300.450 2.112 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2csc(C)c2)C1 ZINC001370550459 1149808885 /nfs/dbraw/zinc/80/88/85/1149808885.db2.gz XOIBPDZHQPXXFY-SHTZXODSSA-N 1 3 309.479 2.135 20 0 DEADHO Cc1cc(CN(C)C[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)c(C)s1 ZINC001406713975 1164806376 /nfs/dbraw/zinc/80/63/76/1164806376.db2.gz YYOZJPFVHOUPKW-SWLSCSKDSA-N 1 3 323.506 2.253 20 0 DEADHO Cc1cc(CN(C)C[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)c(C)s1 ZINC001406713975 1164806378 /nfs/dbraw/zinc/80/63/78/1164806378.db2.gz YYOZJPFVHOUPKW-SWLSCSKDSA-N 1 3 323.506 2.253 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CC[C@@H](C[NH2+]CCCF)C1)N1CCCC1 ZINC001332293614 1149845403 /nfs/dbraw/zinc/84/54/03/1149845403.db2.gz RHNQFDSSLHEIMB-HUUCEWRRSA-N 1 3 313.461 2.095 20 0 DEADHO CC[C@@H](F)CNCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127357479 782797912 /nfs/dbraw/zinc/79/79/12/782797912.db2.gz ZBVFEXSPUFZTBM-HUUCEWRRSA-N 1 3 313.461 2.095 20 0 DEADHO CC[C@@H](F)CNCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127357479 782797921 /nfs/dbraw/zinc/79/79/21/782797921.db2.gz ZBVFEXSPUFZTBM-HUUCEWRRSA-N 1 3 313.461 2.095 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCC(C)(C)C)[C@H](C)C2)C1 ZINC001106666658 782840989 /nfs/dbraw/zinc/84/09/89/782840989.db2.gz PMOPDVMVPKEBTF-BRWVUGGUSA-N 1 3 323.525 2.449 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](NC(=O)CN2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493416 783159084 /nfs/dbraw/zinc/15/90/84/783159084.db2.gz WNTQRSPSOMESRH-HZPDHXFCSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](NC(=O)CN2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493416 783159088 /nfs/dbraw/zinc/15/90/88/783159088.db2.gz WNTQRSPSOMESRH-HZPDHXFCSA-N 1 3 309.498 2.486 20 0 DEADHO CC1CC(C[NH2+]CC2(CCNC(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001167224221 776779860 /nfs/dbraw/zinc/77/98/60/776779860.db2.gz HJPDRUJFCZOTQE-CGZBRXJRSA-N 1 3 321.509 2.393 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C/C=C/Cl)C1)N(C)C ZINC001104348312 777095549 /nfs/dbraw/zinc/09/55/49/777095549.db2.gz DFPBSHHJIOVACA-HXFZWMNWSA-N 1 3 315.889 2.153 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCF)C1)N(C)C ZINC001104641489 777990160 /nfs/dbraw/zinc/99/01/60/777990160.db2.gz TZEZOTASSUNUBL-BZUAXINKSA-N 1 3 315.477 2.006 20 0 DEADHO CC(C)C[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001104682072 778020131 /nfs/dbraw/zinc/02/01/31/778020131.db2.gz ZIBIXVRAEKYZSZ-GVDBMIGSSA-N 1 3 309.498 2.058 20 0 DEADHO CC[NH+](CC)CCC[C@H](C)N1CCN(C[C@H]2CCCO2)CC1 ZINC001167824675 778666949 /nfs/dbraw/zinc/66/69/49/778666949.db2.gz FAKQEKNJAWZFHO-ZWKOTPCHSA-N 1 3 311.514 2.294 20 0 DEADHO CCCC[N@@H+]1CCC2(CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001073453896 790666038 /nfs/dbraw/zinc/66/60/38/790666038.db2.gz CAZOSXQJQFLXFB-IYBDPMFKSA-N 1 3 307.482 2.194 20 0 DEADHO CCCC[N@H+]1CCC2(CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001073453896 790666043 /nfs/dbraw/zinc/66/60/43/790666043.db2.gz CAZOSXQJQFLXFB-IYBDPMFKSA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CC(C)C)C2 ZINC001073461576 790669216 /nfs/dbraw/zinc/66/92/16/790669216.db2.gz GBGNTSQCMWUOHB-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(C)C)C2 ZINC001073461576 790669219 /nfs/dbraw/zinc/66/92/19/790669219.db2.gz GBGNTSQCMWUOHB-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO COC(=O)C1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCC1 ZINC001167964051 779103838 /nfs/dbraw/zinc/10/38/38/779103838.db2.gz MDEBFYHNNCXQFN-MQVJKMGUSA-N 1 3 306.450 2.325 20 0 DEADHO COC(=O)C1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCC1 ZINC001167964051 779103844 /nfs/dbraw/zinc/10/38/44/779103844.db2.gz MDEBFYHNNCXQFN-MQVJKMGUSA-N 1 3 306.450 2.325 20 0 DEADHO COC(=O)[C@@H]1CCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167970505 779128299 /nfs/dbraw/zinc/12/82/99/779128299.db2.gz LUJSWZMEFHLZQY-VEDBGLOESA-N 1 3 306.450 2.323 20 0 DEADHO COC(=O)[C@@H]1CCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167970505 779128305 /nfs/dbraw/zinc/12/83/05/779128305.db2.gz LUJSWZMEFHLZQY-VEDBGLOESA-N 1 3 306.450 2.323 20 0 DEADHO FC1CCN(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167973165 779132866 /nfs/dbraw/zinc/13/28/66/779132866.db2.gz IIACSTAIIPGWLJ-AYHJJNSGSA-N 1 3 309.473 2.415 20 0 DEADHO FC1CCN(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167973165 779132871 /nfs/dbraw/zinc/13/28/71/779132871.db2.gz IIACSTAIIPGWLJ-AYHJJNSGSA-N 1 3 309.473 2.415 20 0 DEADHO COCC1(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCOCC1 ZINC001167975233 779134204 /nfs/dbraw/zinc/13/42/04/779134204.db2.gz MTFJAVFYAGGJBA-ALOPSCKCSA-N 1 3 308.466 2.177 20 0 DEADHO COCC1(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCOCC1 ZINC001167975233 779134206 /nfs/dbraw/zinc/13/42/06/779134206.db2.gz MTFJAVFYAGGJBA-ALOPSCKCSA-N 1 3 308.466 2.177 20 0 DEADHO COCC1([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CCOCC1 ZINC001167975233 779134208 /nfs/dbraw/zinc/13/42/08/779134208.db2.gz MTFJAVFYAGGJBA-ALOPSCKCSA-N 1 3 308.466 2.177 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@@H+]1CC1CCC1 ZINC001087640396 779394099 /nfs/dbraw/zinc/39/40/99/779394099.db2.gz AHZALJUZDHVWKR-DLBZAZTESA-N 1 3 319.493 2.384 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@H+]1CC1CCC1 ZINC001087640396 779394101 /nfs/dbraw/zinc/39/41/01/779394101.db2.gz AHZALJUZDHVWKR-DLBZAZTESA-N 1 3 319.493 2.384 20 0 DEADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCCC[C@H](NCCF)C1 ZINC001088330412 779970959 /nfs/dbraw/zinc/97/09/59/779970959.db2.gz YPPCHECFUKJCKL-HOTGVXAUSA-N 1 3 313.461 2.191 20 0 DEADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CCCCC[C@H](NCCF)C1 ZINC001088330412 779970966 /nfs/dbraw/zinc/97/09/66/779970966.db2.gz YPPCHECFUKJCKL-HOTGVXAUSA-N 1 3 313.461 2.191 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3cccnc3)CC2)CCO1 ZINC001168093098 780015876 /nfs/dbraw/zinc/01/58/76/780015876.db2.gz LOUCORWKNJYEQV-CRAIPNDOSA-N 1 3 303.450 2.451 20 0 DEADHO CC(C)[NH2+][C@@H]1CCCCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001088380924 780047969 /nfs/dbraw/zinc/04/79/69/780047969.db2.gz SKOISXRHFUUPRL-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCCC2(C[NH2+]CCF)CC2)c1 ZINC001168301741 780815136 /nfs/dbraw/zinc/81/51/36/780815136.db2.gz BRFQDCJHVJDNPG-UHFFFAOYSA-N 1 3 321.440 2.207 20 0 DEADHO C[NH+](C)C1CCC(N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001168314466 780832273 /nfs/dbraw/zinc/83/22/73/780832273.db2.gz LVLUNYYPGBGTNM-UHFFFAOYSA-N 1 3 323.481 2.412 20 0 DEADHO COc1ccnc(N2CCN(C3CCC([NH+](C)C)CC3)CC2)c1 ZINC001168330629 780845502 /nfs/dbraw/zinc/84/55/02/780845502.db2.gz UMFJWGUKWBCKCC-UHFFFAOYSA-N 1 3 318.465 2.085 20 0 DEADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C ZINC001102101078 780919624 /nfs/dbraw/zinc/91/96/24/780919624.db2.gz MBMMHBGGBSNCJE-GDBMZVCRSA-N 1 3 309.498 2.201 20 0 DEADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C ZINC001102101078 780919629 /nfs/dbraw/zinc/91/96/29/780919629.db2.gz MBMMHBGGBSNCJE-GDBMZVCRSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2CCCC2CCC2)CC[N@@H+]1C ZINC001085605705 783875306 /nfs/dbraw/zinc/87/53/06/783875306.db2.gz QTENVBQYRWOCMD-KBAYOESNSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2CCCC2CCC2)CC[N@H+]1C ZINC001085605705 783875324 /nfs/dbraw/zinc/87/53/24/783875324.db2.gz QTENVBQYRWOCMD-KBAYOESNSA-N 1 3 321.509 2.440 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC(C)C ZINC001085629499 783905730 /nfs/dbraw/zinc/90/57/30/783905730.db2.gz VYGQEAJOMAYOPR-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC(C)C ZINC001085629499 783905739 /nfs/dbraw/zinc/90/57/39/783905739.db2.gz VYGQEAJOMAYOPR-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1CCC(C)C ZINC001085629499 783905747 /nfs/dbraw/zinc/90/57/47/783905747.db2.gz VYGQEAJOMAYOPR-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1CCC(C)C ZINC001085629499 783905757 /nfs/dbraw/zinc/90/57/57/783905757.db2.gz VYGQEAJOMAYOPR-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C23CCCN2CCC3)C1 ZINC000967211191 783908283 /nfs/dbraw/zinc/90/82/83/783908283.db2.gz XKPYURNBTLQDIP-HOTGVXAUSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)C23CCCN2CCC3)C1 ZINC000967211191 783908288 /nfs/dbraw/zinc/90/82/88/783908288.db2.gz XKPYURNBTLQDIP-HOTGVXAUSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CCN1CCC1CC1 ZINC001085687870 783967615 /nfs/dbraw/zinc/96/76/15/783967615.db2.gz XAZQVXONPPQABN-QZTJIDSGSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CCN1CCC1CC1 ZINC001085687870 783967622 /nfs/dbraw/zinc/96/76/22/783967622.db2.gz XAZQVXONPPQABN-QZTJIDSGSA-N 1 3 321.509 2.440 20 0 DEADHO Cc1cccc(C)c1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000967926348 784178548 /nfs/dbraw/zinc/17/85/48/784178548.db2.gz UFDVHIGTRNHRLP-AEFFLSMTSA-N 1 3 315.461 2.088 20 0 DEADHO CC(C)N1CC[C@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085984501 784285901 /nfs/dbraw/zinc/28/59/01/784285901.db2.gz FTWTZLDGCPPLJT-KRWDZBQOSA-N 1 3 303.450 2.303 20 0 DEADHO CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000968680924 784536783 /nfs/dbraw/zinc/53/67/83/784536783.db2.gz FHCPWYUUXDHWPH-RHSMWYFYSA-N 1 3 303.450 2.208 20 0 DEADHO CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000968680924 784536811 /nfs/dbraw/zinc/53/68/11/784536811.db2.gz FHCPWYUUXDHWPH-RHSMWYFYSA-N 1 3 303.450 2.208 20 0 DEADHO CCC[NH2+][C@H]1C[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001086278290 784539835 /nfs/dbraw/zinc/53/98/35/784539835.db2.gz PVOJNFDWOZHKRD-WOVMCDHWSA-N 1 3 303.450 2.256 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC(C)C2)C1 ZINC001086382774 784635898 /nfs/dbraw/zinc/63/58/98/784635898.db2.gz XMJVNKJDQNCJRB-NHHFINERSA-N 1 3 321.509 2.391 20 0 DEADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cs1 ZINC000968912784 784647245 /nfs/dbraw/zinc/64/72/45/784647245.db2.gz RQQQBTRFBANDSO-HZPDHXFCSA-N 1 3 321.490 2.087 20 0 DEADHO C[C@H]1C[C@H]([NH+]2CCC3(CN(C)C3)CC2)CN1C(=O)OC(C)(C)C ZINC001168870710 784945395 /nfs/dbraw/zinc/94/53/95/784945395.db2.gz FIDYDYCUTNZBSD-GJZGRUSLSA-N 1 3 323.481 2.412 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CCN(C(=O)c3ccccc3)C1)C2 ZINC001169113994 785059980 /nfs/dbraw/zinc/05/99/80/785059980.db2.gz VNILXUNIHBDMMG-ZJPYXAASSA-N 1 3 313.445 2.116 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CCN(C(=O)c3ccccc3)C1)C2 ZINC001169113994 785059983 /nfs/dbraw/zinc/05/99/83/785059983.db2.gz VNILXUNIHBDMMG-ZJPYXAASSA-N 1 3 313.445 2.116 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCCN(c3cccnc3)CC1)C2 ZINC001169153493 785066881 /nfs/dbraw/zinc/06/68/81/785066881.db2.gz JJDWSXSANYZUFR-ALXJQNPVSA-N 1 3 300.450 2.219 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCCN(c3cccnc3)CC1)C2 ZINC001169153493 785066889 /nfs/dbraw/zinc/06/68/89/785066889.db2.gz JJDWSXSANYZUFR-ALXJQNPVSA-N 1 3 300.450 2.219 20 0 DEADHO CC[NH+]1CCC(NCCC(=O)N2CCCc3ccccc32)CC1 ZINC001169229913 785099092 /nfs/dbraw/zinc/09/90/92/785099092.db2.gz LGCSCQCIHNFYFM-UHFFFAOYSA-N 1 3 315.461 2.430 20 0 DEADHO CC[NH+]1CCC(N2C[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)CC1 ZINC001169265582 785102753 /nfs/dbraw/zinc/10/27/53/785102753.db2.gz YKSKHBMJBSMXFZ-MSOLQXFVSA-N 1 3 316.445 2.359 20 0 DEADHO CCOC(=O)[C@H]1CC[C@@H](N2C(C)(C)CC([NH3+])CC2(C)C)CO1 ZINC001169317017 785129796 /nfs/dbraw/zinc/12/97/96/785129796.db2.gz AFBUBTXQSBXSDH-ZIAGYGMSSA-N 1 3 312.454 2.077 20 0 DEADHO CCCN1C[C@@H]2C[NH+]([C@@H]3CCCN(C(=O)OCC)CC3)C[C@H]2C1 ZINC001169702324 785314672 /nfs/dbraw/zinc/31/46/72/785314672.db2.gz BPEAQZJDGCKPHY-BRWVUGGUSA-N 1 3 323.481 2.271 20 0 DEADHO CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)(C)C1)C2 ZINC001108766560 785532365 /nfs/dbraw/zinc/53/23/65/785532365.db2.gz ZZMXOSNFUNOGNW-ULQDDVLXSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](CN)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171252597 791142412 /nfs/dbraw/zinc/14/24/12/791142412.db2.gz YCDIFGGHQBEQTE-HZTRTUMWSA-N 1 3 301.434 2.007 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1)N(C)C ZINC001109688381 785988658 /nfs/dbraw/zinc/98/86/58/785988658.db2.gz MBTJANJDNHPRBC-VSZNYVQBSA-N 1 3 321.509 2.484 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1)N(C)C ZINC001109688381 785988662 /nfs/dbraw/zinc/98/86/62/785988662.db2.gz MBTJANJDNHPRBC-VSZNYVQBSA-N 1 3 321.509 2.484 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001014405386 786572493 /nfs/dbraw/zinc/57/24/93/786572493.db2.gz GALRJSSMYPZJGQ-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001014405386 786572499 /nfs/dbraw/zinc/57/24/99/786572499.db2.gz GALRJSSMYPZJGQ-SJORKVTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001015052434 786877001 /nfs/dbraw/zinc/87/70/01/786877001.db2.gz LEUXNBZMMRKALV-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001015052434 786877012 /nfs/dbraw/zinc/87/70/12/786877012.db2.gz LEUXNBZMMRKALV-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2CC(C)C)C1 ZINC001015051717 786879668 /nfs/dbraw/zinc/87/96/68/786879668.db2.gz DPKNIZUQMUPRLD-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2CC(C)C)C1 ZINC001015051717 786879678 /nfs/dbraw/zinc/87/96/78/786879678.db2.gz DPKNIZUQMUPRLD-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO O=C(N[C@@H]1CCN(CC2=CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001015089569 786889982 /nfs/dbraw/zinc/88/99/82/786889982.db2.gz KHYABDKBPHIRPN-QGZVFWFLSA-N 1 3 317.477 2.306 20 0 DEADHO Cc1ccccc1CN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015648185 787156701 /nfs/dbraw/zinc/15/67/01/787156701.db2.gz DOQYRGZWOZKRRC-SFHVURJKSA-N 1 3 315.461 2.027 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[NH2+][C@H]1CCc2c1cccc2F)N(C)C ZINC001129949282 787262751 /nfs/dbraw/zinc/26/27/51/787262751.db2.gz AOWUXKZYLKIXQX-IRXDYDNUSA-N 1 3 321.440 2.105 20 0 DEADHO O=C(NCCNCc1ccc(F)cc1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130186207 787310557 /nfs/dbraw/zinc/31/05/57/787310557.db2.gz CTKXMPCAYYKZRA-SJORKVTESA-N 1 3 319.424 2.048 20 0 DEADHO O=C(NCCNCc1ccc(F)cc1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130186207 787310564 /nfs/dbraw/zinc/31/05/64/787310564.db2.gz CTKXMPCAYYKZRA-SJORKVTESA-N 1 3 319.424 2.048 20 0 DEADHO CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001096101398 787505725 /nfs/dbraw/zinc/50/57/25/787505725.db2.gz TYQDMSZQKMDNMR-NCOADZHNSA-N 1 3 307.482 2.382 20 0 DEADHO CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001096101398 787505729 /nfs/dbraw/zinc/50/57/29/787505729.db2.gz TYQDMSZQKMDNMR-NCOADZHNSA-N 1 3 307.482 2.382 20 0 DEADHO CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001097079972 787969999 /nfs/dbraw/zinc/96/99/99/787969999.db2.gz QKNFWQNABHJVCP-HPBDAGMYSA-N 1 3 319.493 2.382 20 0 DEADHO CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001097079972 787970006 /nfs/dbraw/zinc/97/00/06/787970006.db2.gz QKNFWQNABHJVCP-HPBDAGMYSA-N 1 3 319.493 2.382 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001133347538 788377397 /nfs/dbraw/zinc/37/73/97/788377397.db2.gz XOMITWGSUBLWDO-IPKOWEFYSA-N 1 3 315.889 2.153 20 0 DEADHO CC(C)[C@H](C(=O)NCC[NH2+]C[C@@H]1CCCC(F)(F)C1)N(C)C ZINC001133418732 788408353 /nfs/dbraw/zinc/40/83/53/788408353.db2.gz FIEYTOUEGPRMLW-ZIAGYGMSSA-N 1 3 319.440 2.104 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)CN1CCC[C@@H]1C ZINC001133819611 788618683 /nfs/dbraw/zinc/61/86/83/788618683.db2.gz IZICVGDARROAAC-HOTGVXAUSA-N 1 3 303.450 2.246 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]CC/C=C/c1ccccc1 ZINC001133823490 788619445 /nfs/dbraw/zinc/61/94/45/788619445.db2.gz HOHPGFKDFKTPNX-RIWGIVCCSA-N 1 3 315.461 2.280 20 0 DEADHO C[C@H](NCCNC(=O)C[N@@H+]1CCC[C@@H]1C)c1ccccc1F ZINC001133833914 788627152 /nfs/dbraw/zinc/62/71/52/788627152.db2.gz JLWUSVPZXSBPGG-KBPBESRZSA-N 1 3 307.413 2.077 20 0 DEADHO C[C@H](NCCNC(=O)C[N@H+]1CCC[C@@H]1C)c1ccccc1F ZINC001133833914 788627155 /nfs/dbraw/zinc/62/71/55/788627155.db2.gz JLWUSVPZXSBPGG-KBPBESRZSA-N 1 3 307.413 2.077 20 0 DEADHO Cc1ccccc1CCC[NH2+]CCNC(=O)CN1CCC[C@H]1C ZINC001133833984 788627238 /nfs/dbraw/zinc/62/72/38/788627238.db2.gz LDTYZHOEGVYAFI-QGZVFWFLSA-N 1 3 317.477 2.118 20 0 DEADHO CC(C)(C)CC[NH2+]CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001133856484 788640708 /nfs/dbraw/zinc/64/07/08/788640708.db2.gz GVKUIQHMPWNAAS-QGZVFWFLSA-N 1 3 315.477 2.341 20 0 DEADHO CN(CC(=O)NCC[NH2+][C@H]1CCc2ccccc21)CC(C)(C)C ZINC001133905454 788666016 /nfs/dbraw/zinc/66/60/16/788666016.db2.gz AMGXDLBOTZAMAB-KRWDZBQOSA-N 1 3 317.477 2.358 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+]Cc1ccccc1C1CC1)N(C)C ZINC001133965818 788696860 /nfs/dbraw/zinc/69/68/60/788696860.db2.gz KTFCZCSMMXUJCH-KRWDZBQOSA-N 1 3 303.450 2.110 20 0 DEADHO O=C(NCCNCc1ccc(F)cc1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135092711 789200252 /nfs/dbraw/zinc/20/02/52/789200252.db2.gz CGODQVJUDHLEHJ-DLBZAZTESA-N 1 3 319.424 2.048 20 0 DEADHO O=C(NCCNCc1ccc(F)cc1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135092711 789200261 /nfs/dbraw/zinc/20/02/61/789200261.db2.gz CGODQVJUDHLEHJ-DLBZAZTESA-N 1 3 319.424 2.048 20 0 DEADHO CCCCCCN(C)CC(=O)NCC[NH2+]Cc1ccsc1 ZINC001135436906 789341121 /nfs/dbraw/zinc/34/11/21/789341121.db2.gz FPDJXJIXDDFVHT-UHFFFAOYSA-N 1 3 311.495 2.466 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+]C/C=C/c1ccc(Cl)cc1 ZINC001135510593 789380411 /nfs/dbraw/zinc/38/04/11/789380411.db2.gz BOOWLHFUVZOPTP-AATRIKPKSA-N 1 3 323.868 2.401 20 0 DEADHO CCCOc1cccc(C[NH2+]CCNC(=O)CN(CC)CC)c1 ZINC001135511363 789381324 /nfs/dbraw/zinc/38/13/24/789381324.db2.gz OSRMEWMIENYKPD-UHFFFAOYSA-N 1 3 321.465 2.023 20 0 DEADHO CCCCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)CCC ZINC001135979283 789581331 /nfs/dbraw/zinc/58/13/31/789581331.db2.gz DQWLPXZZOUDWAQ-HZPDHXFCSA-N 1 3 315.502 2.018 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCCCF ZINC001135980838 789582022 /nfs/dbraw/zinc/58/20/22/789582022.db2.gz TVVHOQKCOMKPRK-CABCVRRESA-N 1 3 303.466 2.341 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCCCF ZINC001135980839 789582185 /nfs/dbraw/zinc/58/21/85/789582185.db2.gz TVVHOQKCOMKPRK-GJZGRUSLSA-N 1 3 303.466 2.341 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cnccc1C ZINC001135976460 789587245 /nfs/dbraw/zinc/58/72/45/789587245.db2.gz JXEXPBCOBFOGDN-HZPDHXFCSA-N 1 3 320.481 2.105 20 0 DEADHO CN(C)[C@H](C(=O)N1CC2(C1)CC[N@H+](CCC(C)(C)C)C2)C1CC1 ZINC001072814665 790257169 /nfs/dbraw/zinc/25/71/69/790257169.db2.gz KLVQAUWGCKPASC-INIZCTEOSA-N 1 3 321.509 2.297 20 0 DEADHO CN(C)[C@H](C(=O)N1CC2(C1)CC[N@@H+](CCC(C)(C)C)C2)C1CC1 ZINC001072814665 790257173 /nfs/dbraw/zinc/25/71/73/790257173.db2.gz KLVQAUWGCKPASC-INIZCTEOSA-N 1 3 321.509 2.297 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCN3C)[C@H]2C)c1 ZINC001074561984 791232493 /nfs/dbraw/zinc/23/24/93/791232493.db2.gz SESWRJRZKKHIAJ-SZMVWBNQSA-N 1 3 315.461 2.168 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NCCNCc2cccc(F)c2)CC1 ZINC001146383884 791283276 /nfs/dbraw/zinc/28/32/76/791283276.db2.gz KTQFZPKTQHRVTL-UHFFFAOYSA-N 1 3 321.440 2.152 20 0 DEADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+](CC1CC(C)(C)C1)C2 ZINC001148469781 791751050 /nfs/dbraw/zinc/75/10/50/791751050.db2.gz VEUAFMXHAJRCDV-UHFFFAOYSA-N 1 3 321.509 2.299 20 0 DEADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+](CC1CC(C)(C)C1)C2 ZINC001148469781 791751053 /nfs/dbraw/zinc/75/10/53/791751053.db2.gz VEUAFMXHAJRCDV-UHFFFAOYSA-N 1 3 321.509 2.299 20 0 DEADHO CCCN(C)CC(=O)NCC[NH2+][C@H]1CCCc2ccccc21 ZINC001148642396 791780515 /nfs/dbraw/zinc/78/05/15/791780515.db2.gz HHNQGVNKMGZVKV-KRWDZBQOSA-N 1 3 303.450 2.112 20 0 DEADHO CC(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)[C@H](C)C1 ZINC001092603293 792080414 /nfs/dbraw/zinc/08/04/14/792080414.db2.gz XMSVNMXPTGCLBU-ZACQAIPSSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)[C@H](C)C1 ZINC001092603293 792080428 /nfs/dbraw/zinc/08/04/28/792080428.db2.gz XMSVNMXPTGCLBU-ZACQAIPSSA-N 1 3 309.498 2.199 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC ZINC001099097689 792091117 /nfs/dbraw/zinc/09/11/17/792091117.db2.gz CZJDTFGTRSNKAW-GJZGRUSLSA-N 1 3 315.477 2.293 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC ZINC001099097689 792091122 /nfs/dbraw/zinc/09/11/22/792091122.db2.gz CZJDTFGTRSNKAW-GJZGRUSLSA-N 1 3 315.477 2.293 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC)C1 ZINC001099443463 792207826 /nfs/dbraw/zinc/20/78/26/792207826.db2.gz YSLYOTCWKFYGPN-JZXOWHBKSA-N 1 3 307.482 2.099 20 0 DEADHO C[N@H+](Cc1ccccc1)C1(CNC(=O)C2(N)CC2)CCCCC1 ZINC000714225472 792303763 /nfs/dbraw/zinc/30/37/63/792303763.db2.gz ABLFVYGEWFLNPX-UHFFFAOYSA-N 1 3 315.461 2.429 20 0 DEADHO C[N@@H+](Cc1ccccc1)C1(CNC(=O)C2(N)CC2)CCCCC1 ZINC000714225472 792303775 /nfs/dbraw/zinc/30/37/75/792303775.db2.gz ABLFVYGEWFLNPX-UHFFFAOYSA-N 1 3 315.461 2.429 20 0 DEADHO CN(CC(=O)NCC1CC([NH2+]Cc2ccsc2)C1)C1CCC1 ZINC001100411866 792635467 /nfs/dbraw/zinc/63/54/67/792635467.db2.gz XLSVZSVSYOHCCO-UHFFFAOYSA-N 1 3 321.490 2.217 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC1CC([NH2+]CCC(F)(F)F)C1 ZINC001100460039 792665112 /nfs/dbraw/zinc/66/51/12/792665112.db2.gz MSJGVDMGDKBXSV-UHFFFAOYSA-N 1 3 323.403 2.154 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]CC2CC(C)(C)C2)C1 ZINC001100676875 792782375 /nfs/dbraw/zinc/78/23/75/792782375.db2.gz UORABRIZDVSGDB-UQPPLGOBSA-N 1 3 321.509 2.391 20 0 DEADHO CN(CC(=O)NCC1CC([NH2+]CCC2CC2)C1)CC(C)(C)C ZINC001100681502 792786243 /nfs/dbraw/zinc/78/62/43/792786243.db2.gz MALOXMYOBRGOFU-UHFFFAOYSA-N 1 3 309.498 2.249 20 0 DEADHO CCCN(C)CC(=O)NCC1CC([NH2+]Cc2ccc(F)cc2)C1 ZINC001100900236 792908110 /nfs/dbraw/zinc/90/81/10/792908110.db2.gz XFSWHFKIBCIIKW-UHFFFAOYSA-N 1 3 321.440 2.152 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+][C@@H](C)COC ZINC001171597064 793145865 /nfs/dbraw/zinc/14/58/65/793145865.db2.gz VDBXQHTZGGOJNO-CABCVRRESA-N 1 3 315.502 2.016 20 0 DEADHO CCCCC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)CCC)C[C@]2(C)C1 ZINC001101443638 793164157 /nfs/dbraw/zinc/16/41/57/793164157.db2.gz MJHWCMHVXOFOKT-AEFFLSMTSA-N 1 3 309.498 2.299 20 0 DEADHO CCCCC[N@H+]1C[C@@H]2CN(C(=O)CN(C)CCC)C[C@]2(C)C1 ZINC001101443638 793164162 /nfs/dbraw/zinc/16/41/62/793164162.db2.gz MJHWCMHVXOFOKT-AEFFLSMTSA-N 1 3 309.498 2.299 20 0 DEADHO CC[NH2+]CC(C)(C)C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001101574032 793240185 /nfs/dbraw/zinc/24/01/85/793240185.db2.gz OEFVNMURTXSSQK-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO NC(=O)CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172074831 793310364 /nfs/dbraw/zinc/31/03/64/793310364.db2.gz YMHNOWXSCBYTTH-OSYLJGHBSA-N 1 3 301.434 2.037 20 0 DEADHO NC(=O)CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172074831 793310373 /nfs/dbraw/zinc/31/03/73/793310373.db2.gz YMHNOWXSCBYTTH-OSYLJGHBSA-N 1 3 301.434 2.037 20 0 DEADHO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H](NC1(C[NH3+])CC1)C2 ZINC001172091751 793314554 /nfs/dbraw/zinc/31/45/54/793314554.db2.gz XXYFDOWBNFHOMX-ZSOGYDGISA-N 1 3 309.454 2.388 20 0 DEADHO Cc1cncnc1O[C@H]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172134748 793323262 /nfs/dbraw/zinc/32/32/62/793323262.db2.gz ZAOIQEMJYSGWGP-HZMVEIRTSA-N 1 3 316.449 2.253 20 0 DEADHO Cc1cncnc1O[C@H]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172134748 793323268 /nfs/dbraw/zinc/32/32/68/793323268.db2.gz ZAOIQEMJYSGWGP-HZMVEIRTSA-N 1 3 316.449 2.253 20 0 DEADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)C2 ZINC001172103516 793328170 /nfs/dbraw/zinc/32/81/70/793328170.db2.gz VTAXHUBCZBIURL-PHZGNYQRSA-N 1 3 322.474 2.195 20 0 DEADHO COc1ccc([C@H](O)CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172107583 793330332 /nfs/dbraw/zinc/33/03/32/793330332.db2.gz FPDXUZSBRLZJEY-KYHPRHEASA-N 1 3 304.434 2.334 20 0 DEADHO COc1ccc([C@H](O)CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172107583 793330339 /nfs/dbraw/zinc/33/03/39/793330339.db2.gz FPDXUZSBRLZJEY-KYHPRHEASA-N 1 3 304.434 2.334 20 0 DEADHO CN(C)C1=NOC2(C1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)N3C)CC2 ZINC001172114471 793335774 /nfs/dbraw/zinc/33/57/74/793335774.db2.gz CTSHOOZKLPAASD-MUJYYYPQSA-N 1 3 320.481 2.132 20 0 DEADHO CN1CCN(Cc2cccc(C[NH2+][C@H]3COC(C)(C)C3)c2)CC1 ZINC001172270916 793377986 /nfs/dbraw/zinc/37/79/86/793377986.db2.gz IDDHNWHNQBYWSE-GOSISDBHSA-N 1 3 317.477 2.091 20 0 DEADHO CCN1CC[C@H](N[C@H](C[NH3+])c2ccc(Br)cc2)C1 ZINC001173351613 793685767 /nfs/dbraw/zinc/68/57/67/793685767.db2.gz ZTJTYUGOTXGUQP-UONOGXRCSA-N 1 3 312.255 2.133 20 0 DEADHO [NH3+]C1(CC2CCC2)CCN([C@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173741986 793831325 /nfs/dbraw/zinc/83/13/25/793831325.db2.gz JVMFAJPXGFJMDB-HOTGVXAUSA-N 1 3 318.469 2.140 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+][C@@H](C)c1ccccc1 ZINC001174692003 794041847 /nfs/dbraw/zinc/04/18/47/794041847.db2.gz OODYEAZRDVXXHM-ZDUSSCGKSA-N 1 3 300.406 2.118 20 0 DEADHO CC[NH2+]CCCC[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001175262590 794172418 /nfs/dbraw/zinc/17/24/18/794172418.db2.gz HWTZFWWJJRQZEW-YOEHRIQHSA-N 1 3 315.477 2.483 20 0 DEADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](CC[C@H](C)F)C[C@H]1C ZINC001103663572 794180967 /nfs/dbraw/zinc/18/09/67/794180967.db2.gz IDTQGFSTRIPSTE-OWCLPIDISA-N 1 3 315.477 2.151 20 0 DEADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](CC[C@H](C)F)C[C@H]1C ZINC001103663572 794180975 /nfs/dbraw/zinc/18/09/75/794180975.db2.gz IDTQGFSTRIPSTE-OWCLPIDISA-N 1 3 315.477 2.151 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]C[C@@H](F)CC ZINC001176286407 794390957 /nfs/dbraw/zinc/39/09/57/794390957.db2.gz VJNAWFWVELZCNJ-CABCVRRESA-N 1 3 303.466 2.341 20 0 DEADHO CC[C@H](C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C(C)C)OC ZINC001176753332 794498137 /nfs/dbraw/zinc/49/81/37/794498137.db2.gz GKFNXOFZKMZBMQ-HZPDHXFCSA-N 1 3 315.502 2.016 20 0 DEADHO CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](C(C)C)C2)N(CC)CC ZINC001111869791 794507097 /nfs/dbraw/zinc/50/70/97/794507097.db2.gz KFGWQWPBVNFGOQ-BQFCYCMXSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](C(C)C)C2)N(CC)CC ZINC001111869791 794507099 /nfs/dbraw/zinc/50/70/99/794507099.db2.gz KFGWQWPBVNFGOQ-BQFCYCMXSA-N 1 3 309.498 2.486 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CC1CC(C)(C)C1 ZINC001176992345 794552392 /nfs/dbraw/zinc/55/23/92/794552392.db2.gz MTXHBGOAXNMCKB-MRXNPFEDSA-N 1 3 309.498 2.393 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]C/C=C/Cl)CCCCC1)N(C)C ZINC001115734287 794900882 /nfs/dbraw/zinc/90/08/82/794900882.db2.gz GRFSRRVFISADCP-ZHZWZMEUSA-N 1 3 315.889 2.488 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CCC(C)(C)C)CCN1C(=O)CN(C)C1CCC1 ZINC001178902142 795027224 /nfs/dbraw/zinc/02/72/24/795027224.db2.gz BLFRRPBOODJAIG-HOCLYGCPSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)CCC[NH2+][C@H]1CCN(C(=O)CN2CCC[C@@H]2C)[C@H]1C ZINC001179534410 795126350 /nfs/dbraw/zinc/12/63/50/795126350.db2.gz KYULWMGOIFQSNU-ULQDDVLXSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H]1[C@@H]([NH2+]C/C=C/Cl)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001179550207 795135958 /nfs/dbraw/zinc/13/59/58/795135958.db2.gz RFIWRNYKHHBMIU-SZBGIYDQSA-N 1 3 313.873 2.050 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2)[C@@H]1C ZINC001179763381 795174493 /nfs/dbraw/zinc/17/44/93/795174493.db2.gz KFJBEQYVEMCAKR-YOEHRIQHSA-N 1 3 321.440 2.247 20 0 DEADHO CCN(CC)CC(=O)NCCCCCC[NH2+]CCOC(C)C ZINC001179851009 795188340 /nfs/dbraw/zinc/18/83/40/795188340.db2.gz QUVSKSTYLMAZIQ-UHFFFAOYSA-N 1 3 315.502 2.019 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(Nc2ccncc2)cc1 ZINC001179965385 795221427 /nfs/dbraw/zinc/22/14/27/795221427.db2.gz QJBAZCVVNAGFRQ-GOSISDBHSA-N 1 3 324.428 2.461 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(Nc2ccncc2)cc1 ZINC001179965385 795221430 /nfs/dbraw/zinc/22/14/30/795221430.db2.gz QJBAZCVVNAGFRQ-GOSISDBHSA-N 1 3 324.428 2.461 20 0 DEADHO CCCN(C)CC(=O)NCCCCCC[NH2+]Cc1ccccn1 ZINC001180121771 795244448 /nfs/dbraw/zinc/24/44/48/795244448.db2.gz VUBMNHQEAISDNI-UHFFFAOYSA-N 1 3 320.481 2.190 20 0 DEADHO CCN(CC)CC(=O)NCC1CC[NH+](C2CCCCC2)CC1 ZINC001180390993 795288920 /nfs/dbraw/zinc/28/89/20/795288920.db2.gz LIBPCPUXKPJHEC-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CCC2CC2)CCCCC1 ZINC001120068451 795401457 /nfs/dbraw/zinc/40/14/57/795401457.db2.gz KPIFGDPYJFRNJQ-UHFFFAOYSA-N 1 3 318.465 2.469 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCF)C1)N(C)C ZINC001181801308 795542432 /nfs/dbraw/zinc/54/24/32/795542432.db2.gz VEUHFJXFJUPDRF-HLLBOEOZSA-N 1 3 315.477 2.006 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C[C@@H](F)CC)C1)N(C)C ZINC001181884206 795556557 /nfs/dbraw/zinc/55/65/57/795556557.db2.gz DGUJFYMRKYARDH-JYYAWHABSA-N 1 3 315.477 2.149 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C/C=C/Cl)C1)N(C)C ZINC001181896100 795557980 /nfs/dbraw/zinc/55/79/80/795557980.db2.gz IMHPJOMRKGSMSD-LDPPUTLGSA-N 1 3 315.889 2.153 20 0 DEADHO CN1CCC(N(C(=O)[C@@H]2C[NH+]3CCC2CC3)C2CCCC2)CC1 ZINC001182011977 795594113 /nfs/dbraw/zinc/59/41/13/795594113.db2.gz LAXWYBVMRNPXPW-GOSISDBHSA-N 1 3 319.493 2.194 20 0 DEADHO CC[C@@H](F)CN[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001182591243 795712823 /nfs/dbraw/zinc/71/28/23/795712823.db2.gz XBAHUMDYFWSRPH-HUUCEWRRSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@]1(C)C[NH2+]CC1CC1 ZINC001182623574 795715157 /nfs/dbraw/zinc/71/51/57/795715157.db2.gz QQNXQYINQIWJSW-DNVCBOLYSA-N 1 3 323.525 2.449 20 0 DEADHO CC(C)C[NH2+]C[C@]1(C)CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001182629947 795715247 /nfs/dbraw/zinc/71/52/47/795715247.db2.gz QCIKAQCFCNMMRM-JFIYKMOQSA-N 1 3 309.498 2.058 20 0 DEADHO CCCC[NH2+]C1CC2(CC(NC(=O)Cc3nc[nH]c3C)C2)C1 ZINC001122118741 795728198 /nfs/dbraw/zinc/72/81/98/795728198.db2.gz RXCPSIWKPMOHTE-UHFFFAOYSA-N 1 3 304.438 2.078 20 0 DEADHO NC1(C(=O)NCCCCCC2CC[NH2+]CC2)CC2(CCC2)C1 ZINC001122150607 795731220 /nfs/dbraw/zinc/73/12/20/795731220.db2.gz HQVUJTCFOHHHJM-UHFFFAOYSA-N 1 3 307.482 2.324 20 0 DEADHO CC(C)N(C)CC(=O)NC1CC2(C1)CC([NH2+]CC1CC(C)C1)C2 ZINC001122242367 795739184 /nfs/dbraw/zinc/73/91/84/795739184.db2.gz BYFVZSUDQWYZIY-UHFFFAOYSA-N 1 3 321.509 2.390 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001184565407 796084565 /nfs/dbraw/zinc/08/45/65/796084565.db2.gz JHUWYTDOIZZUHZ-CVEARBPZSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1C[NH2+]CCC1CC1 ZINC001184575531 796086650 /nfs/dbraw/zinc/08/66/50/796086650.db2.gz DVBXHZBHMSXLSN-RDJZCZTQSA-N 1 3 321.509 2.345 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@H](C[NH2+]CC2CC2)[C@@H](C)C1 ZINC001184714163 796109053 /nfs/dbraw/zinc/10/90/53/796109053.db2.gz WLBLYKKTROVCTD-GOEBONIOSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)[NH2+]C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001185171781 796202504 /nfs/dbraw/zinc/20/25/04/796202504.db2.gz YDZVTEAWRFOFNZ-HOTGVXAUSA-N 1 3 311.514 2.447 20 0 DEADHO CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001185651327 796299567 /nfs/dbraw/zinc/29/95/67/796299567.db2.gz YEEPRWOKQKDFEW-LZCSOBMZSA-N 1 3 307.482 2.408 20 0 DEADHO Cn1c(=O)cc(C[NH+]2CCC(N3CCC3)CC2)c2ccccc21 ZINC001139762810 796423083 /nfs/dbraw/zinc/42/30/83/796423083.db2.gz WPCBMWABPULRPC-UHFFFAOYSA-N 1 3 311.429 2.209 20 0 DEADHO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2Cc1cc(Cl)ccc1N ZINC001140716113 796561605 /nfs/dbraw/zinc/56/16/05/796561605.db2.gz ZTBWLSRSWYBSFT-DLBZAZTESA-N 1 3 322.884 2.132 20 0 DEADHO CC[NH+](CC)CCN1CCN(Cc2cnc3cc[nH]cc2-3)CC1 ZINC001140799364 796574112 /nfs/dbraw/zinc/57/41/12/796574112.db2.gz AWBJMMGOSLAOFL-UHFFFAOYSA-N 1 3 315.465 2.022 20 0 DEADHO CC[NH+](CC)CCN1CCN(Cc2c[nH]c3ccncc23)CC1 ZINC001140799364 796574117 /nfs/dbraw/zinc/57/41/17/796574117.db2.gz AWBJMMGOSLAOFL-UHFFFAOYSA-N 1 3 315.465 2.022 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CC3CC3)C[C@H]21)N(CC)CC ZINC001189110817 796764427 /nfs/dbraw/zinc/76/44/27/796764427.db2.gz TZQLYJICHOQMJA-GVDBMIGSSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CC3)C[C@H]21)N(CC)CC ZINC001189110817 796764430 /nfs/dbraw/zinc/76/44/30/796764430.db2.gz TZQLYJICHOQMJA-GVDBMIGSSA-N 1 3 307.482 2.050 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]Cc1ccc(C)c(F)c1 ZINC001161226995 796817594 /nfs/dbraw/zinc/81/75/94/796817594.db2.gz SQFHJWZNKFCULB-UHFFFAOYSA-N 1 3 323.456 2.460 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]Cc1cccc(C)c1 ZINC001161226855 796817654 /nfs/dbraw/zinc/81/76/54/796817654.db2.gz QTERGVQQLDVIST-UHFFFAOYSA-N 1 3 305.466 2.321 20 0 DEADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cc2cc(C)ccc2[nH]1 ZINC001149495093 796859019 /nfs/dbraw/zinc/85/90/19/796859019.db2.gz MNIVMMGQDVGZBK-UHFFFAOYSA-N 1 3 315.421 2.154 20 0 DEADHO CC[C@H](C)C[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001205461474 796869292 /nfs/dbraw/zinc/86/92/92/796869292.db2.gz KMTSEDZVQMGBPP-WMLDXEAASA-N 1 3 309.498 2.201 20 0 DEADHO CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001190656572 797049770 /nfs/dbraw/zinc/04/97/70/797049770.db2.gz VHHHSKHLYPLFDE-IRXDYDNUSA-N 1 3 309.498 2.296 20 0 DEADHO CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001190656572 797049777 /nfs/dbraw/zinc/04/97/77/797049777.db2.gz VHHHSKHLYPLFDE-IRXDYDNUSA-N 1 3 309.498 2.296 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCCC2CCC2)C1)N(C)C ZINC001190899116 797104200 /nfs/dbraw/zinc/10/42/00/797104200.db2.gz HTIXYCTURGSAOW-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCC2)C1)N(C)C ZINC001190899116 797104203 /nfs/dbraw/zinc/10/42/03/797104203.db2.gz HTIXYCTURGSAOW-IAGOWNOFSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(C)CC(=O)NCC[NH2+]C/C=C/c1ccc(Cl)cc1 ZINC001152426463 797185937 /nfs/dbraw/zinc/18/59/37/797185937.db2.gz IYRONRMNCFXHTF-SNAWJCMRSA-N 1 3 323.868 2.399 20 0 DEADHO COc1cc(O)cc(OC)c1CN1CCC[C@@](F)(C[NH3+])CC1 ZINC001205569928 797241542 /nfs/dbraw/zinc/24/15/42/797241542.db2.gz AMLYESOOULUIRN-INIZCTEOSA-N 1 3 312.385 2.062 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)CCCCCF)C1 ZINC001192343515 797366789 /nfs/dbraw/zinc/36/67/89/797366789.db2.gz PWWNXQYMIOTBPU-CVEARBPZSA-N 1 3 313.461 2.143 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)CCCCCF)C1 ZINC001192343515 797366793 /nfs/dbraw/zinc/36/67/93/797366793.db2.gz PWWNXQYMIOTBPU-CVEARBPZSA-N 1 3 313.461 2.143 20 0 DEADHO CCCCC[N@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001192387738 797378660 /nfs/dbraw/zinc/37/86/60/797378660.db2.gz YMABGHMNOFKNIZ-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO CCCCC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001192387738 797378667 /nfs/dbraw/zinc/37/86/67/797378667.db2.gz YMABGHMNOFKNIZ-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCCCCF)N(C)C ZINC001154000507 797441024 /nfs/dbraw/zinc/44/10/24/797441024.db2.gz FNAUTMJDIMTQDZ-HUUCEWRRSA-N 1 3 303.466 2.293 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CCCCCF)N(C)C ZINC001154000507 797441020 /nfs/dbraw/zinc/44/10/20/797441020.db2.gz FNAUTMJDIMTQDZ-HUUCEWRRSA-N 1 3 303.466 2.293 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2)C1 ZINC001193621910 797594590 /nfs/dbraw/zinc/59/45/90/797594590.db2.gz JYPZZJADTGBNBT-GOSISDBHSA-N 1 3 317.477 2.370 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2)C1 ZINC001193621910 797594592 /nfs/dbraw/zinc/59/45/92/797594592.db2.gz JYPZZJADTGBNBT-GOSISDBHSA-N 1 3 317.477 2.370 20 0 DEADHO CC(C)C[C@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194040698 797668801 /nfs/dbraw/zinc/66/88/01/797668801.db2.gz RTXQMESPMHJZTC-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[C@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194040698 797668804 /nfs/dbraw/zinc/66/88/04/797668804.db2.gz RTXQMESPMHJZTC-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+](Cc1ccccc1)[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001155254873 797718496 /nfs/dbraw/zinc/71/84/96/797718496.db2.gz HIPKMNXRPDCKFB-IAGOWNOFSA-N 1 3 317.477 2.355 20 0 DEADHO CC[N@@H+](Cc1ccccc1)[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001155254873 797718499 /nfs/dbraw/zinc/71/84/99/797718499.db2.gz HIPKMNXRPDCKFB-IAGOWNOFSA-N 1 3 317.477 2.355 20 0 DEADHO Cc1cc(NCC2(N(C)C)CC[NH+](C)CC2)nc(C(C)C)n1 ZINC001156185888 797942050 /nfs/dbraw/zinc/94/20/50/797942050.db2.gz VWZYITBAOYRPQX-UHFFFAOYSA-N 1 3 305.470 2.346 20 0 DEADHO CC/C=C\CC[N@@H+]1CCCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001196215394 798022541 /nfs/dbraw/zinc/02/25/41/798022541.db2.gz FVUZUTPVAIQKSD-QWPQOLDESA-N 1 3 309.498 2.463 20 0 DEADHO CC/C=C\CC[N@H+]1CCCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001196215394 798022545 /nfs/dbraw/zinc/02/25/45/798022545.db2.gz FVUZUTPVAIQKSD-QWPQOLDESA-N 1 3 309.498 2.463 20 0 DEADHO C[NH+](C)CCC(=O)N1CCCN(CCCc2ccsc2)CC1 ZINC001197043213 798137248 /nfs/dbraw/zinc/13/72/48/798137248.db2.gz DSBXZZOAJXNOAI-UHFFFAOYSA-N 1 3 323.506 2.167 20 0 DEADHO C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@H](N)C12CC3CC(CC(C3)C1)C2 ZINC001157841799 798290963 /nfs/dbraw/zinc/29/09/63/798290963.db2.gz HTYRZWBJTVWMNA-VNSKZABOSA-N 1 3 319.493 2.116 20 0 DEADHO O=C(CCCC[NH+]1CCCC1)N1CCCN(CCCF)CC1 ZINC001198363993 798321963 /nfs/dbraw/zinc/32/19/63/798321963.db2.gz IXKRLEOUWIRXPN-UHFFFAOYSA-N 1 3 313.461 2.146 20 0 DEADHO C[N@@H+]1CCN(c2cc(Cl)nc3c2CCNC3)C2(CCCC2)C1 ZINC001158410484 798402451 /nfs/dbraw/zinc/40/24/51/798402451.db2.gz UWLGQOQXVDWYES-UHFFFAOYSA-N 1 3 320.868 2.445 20 0 DEADHO C[N@H+]1CCN(c2cc(Cl)nc3c2CCNC3)C2(CCCC2)C1 ZINC001158410484 798402452 /nfs/dbraw/zinc/40/24/52/798402452.db2.gz UWLGQOQXVDWYES-UHFFFAOYSA-N 1 3 320.868 2.445 20 0 DEADHO CC(C)=CCN(C)C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001158763971 798465237 /nfs/dbraw/zinc/46/52/37/798465237.db2.gz LLWCQQCAPKBHKW-QGZVFWFLSA-N 1 3 319.493 2.361 20 0 DEADHO Cc1ccc(CC[NH2+]CCCNC(=O)C2(N(C)C)CCC2)cc1 ZINC001159854704 798618919 /nfs/dbraw/zinc/61/89/19/798618919.db2.gz QYOJGUKHZPPDGZ-UHFFFAOYSA-N 1 3 317.477 2.118 20 0 DEADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CCC1=CCCCC1)C1CC1 ZINC001159931860 798627765 /nfs/dbraw/zinc/62/77/65/798627765.db2.gz KHYWPSICCSQPFR-QGZVFWFLSA-N 1 3 307.482 2.313 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001160420416 798686500 /nfs/dbraw/zinc/68/65/00/798686500.db2.gz FFHDRAHRQMIOLE-KRWDZBQOSA-N 1 3 323.456 2.338 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N(C)CCc1cccs1 ZINC001160531548 798701507 /nfs/dbraw/zinc/70/15/07/798701507.db2.gz SPSGUOLKAIDYBF-HNNXBMFYSA-N 1 3 311.495 2.245 20 0 DEADHO CN(C)Cc1ccnc(N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)c1 ZINC001160743150 798734168 /nfs/dbraw/zinc/73/41/68/798734168.db2.gz MCJCPTUZCLMVLC-VXGBXAGGSA-N 1 3 302.344 2.096 20 0 DEADHO CC(C)(C[NH3+])c1cn(-c2ncc3c(n2)CCNC3)c2ccccc12 ZINC001160843166 798749276 /nfs/dbraw/zinc/74/92/76/798749276.db2.gz RGQHNRWAYNBAFH-UHFFFAOYSA-N 1 3 321.428 2.303 20 0 DEADHO CC[C@H](C(=O)NCCC[NH2+]Cc1ccccc1Cl)N(C)C ZINC001160883402 798755043 /nfs/dbraw/zinc/75/50/43/798755043.db2.gz MGZIWBRBWOTZOS-OAHLLOKOSA-N 1 3 311.857 2.276 20 0 DEADHO Cc1ccc(CN(C)C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)cc1C ZINC001161097412 798795014 /nfs/dbraw/zinc/79/50/14/798795014.db2.gz ZTVZSWUHDRHSPK-KRWDZBQOSA-N 1 3 315.461 2.136 20 0 DEADHO Cc1ccc(CN(C)C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)cc1C ZINC001161097412 798795016 /nfs/dbraw/zinc/79/50/16/798795016.db2.gz ZTVZSWUHDRHSPK-KRWDZBQOSA-N 1 3 315.461 2.136 20 0 DEADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[C@@H](c4ccccc4)N3)C[C@H]12 ZINC001161413316 798849870 /nfs/dbraw/zinc/84/98/70/798849870.db2.gz PDBFUHPTKQQIIB-WKULXVSPSA-N 1 3 313.445 2.066 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCC1=CC[N@H+](CC2CC2)CC1 ZINC001161953069 798978599 /nfs/dbraw/zinc/97/85/99/798978599.db2.gz PKLUEEAXVCOKHN-SFHVURJKSA-N 1 3 319.493 2.409 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC2CC2)CC1 ZINC001161953069 798978605 /nfs/dbraw/zinc/97/86/05/798978605.db2.gz PKLUEEAXVCOKHN-SFHVURJKSA-N 1 3 319.493 2.409 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]CCC(C)(C)C)CC2)C1 ZINC001202496474 798987180 /nfs/dbraw/zinc/98/71/80/798987180.db2.gz SBTXYQCHKDUWNQ-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO NCc1cn(-c2ccc3[nH]cc(CC[NH+]4CCCC4)c3c2)cn1 ZINC001162302136 799056044 /nfs/dbraw/zinc/05/60/44/799056044.db2.gz LMKGTKSXPDXVJI-UHFFFAOYSA-N 1 3 309.417 2.451 20 0 DEADHO CCC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)[C@@H](C3CC3)N(C)C)[C@@H]2C1 ZINC001114408906 799092953 /nfs/dbraw/zinc/09/29/53/799092953.db2.gz CMAFHPDISXLPCM-ZDBOUTMQSA-N 1 3 319.493 2.119 20 0 DEADHO CCC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)[C@@H](C3CC3)N(C)C)[C@@H]2C1 ZINC001114408906 799092960 /nfs/dbraw/zinc/09/29/60/799092960.db2.gz CMAFHPDISXLPCM-ZDBOUTMQSA-N 1 3 319.493 2.119 20 0 DEADHO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ccc2nc[nH]c2c1C ZINC001162734154 799161117 /nfs/dbraw/zinc/16/11/17/799161117.db2.gz YWLXGOWKMNDEMP-HNNXBMFYSA-N 1 3 318.421 2.414 20 0 DEADHO C[C@@H](N)c1nc2ccccc2n1-c1c[nH+]ccc1N1CCOCC1 ZINC001162765763 799168758 /nfs/dbraw/zinc/16/87/58/799168758.db2.gz JOGRBKBUROTDJI-CYBMUJFWSA-N 1 3 323.400 2.277 20 0 DEADHO CN1CCCC[C@@H]1c1ccc(N[C@H]2COCCC23C[NH2+]C3)nc1 ZINC001163075112 799238899 /nfs/dbraw/zinc/23/88/99/799238899.db2.gz YDUOCGOJZASDKU-CVEARBPZSA-N 1 3 316.449 2.029 20 0 DEADHO CC[NH+](CC)CCNC(=N)Nc1ccc(-c2ccsc2)nn1 ZINC001163129132 799252927 /nfs/dbraw/zinc/25/29/27/799252927.db2.gz HAXVTAGMPSLOND-UHFFFAOYSA-N 1 3 318.450 2.483 20 0 DEADHO CCN(CC)CCNC(=[NH2+])Nc1cnc2ccc(F)cc2n1 ZINC001163126054 799253406 /nfs/dbraw/zinc/25/34/06/799253406.db2.gz OTFMRTYGOYREBF-UHFFFAOYSA-N 1 3 304.373 2.047 20 0 DEADHO CCN1CCCN(c2nc(Cl)cc(C3CC[NH2+]CC3)n2)CC1 ZINC001163771126 799427926 /nfs/dbraw/zinc/42/79/26/799427926.db2.gz GEQODZCJCGJFFS-UHFFFAOYSA-N 1 3 323.872 2.129 20 0 DEADHO CCCNc1cc(C)nc(NCC2(N(C)C)CC[NH+](C)CC2)n1 ZINC001164206118 799538572 /nfs/dbraw/zinc/53/85/72/799538572.db2.gz IFRCOWRLAVSZFI-UHFFFAOYSA-N 1 3 320.485 2.045 20 0 DEADHO Cc1ccc(CC[NH2+]CCCNC(=O)CN2CCC[C@H]2C)cc1 ZINC001166627386 799904371 /nfs/dbraw/zinc/90/43/71/799904371.db2.gz UOEFZJKWLQSNOS-QGZVFWFLSA-N 1 3 317.477 2.118 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001166626106 799904527 /nfs/dbraw/zinc/90/45/27/799904527.db2.gz APPPBERKEXQOFO-ZIAGYGMSSA-N 1 3 317.424 2.002 20 0 DEADHO Cc1cc(C)cc(C[NH2+]CCCNC(=O)CN2CCC[C@H]2C)c1 ZINC001166627061 799905217 /nfs/dbraw/zinc/90/52/17/799905217.db2.gz PABZAENLIRSBDL-QGZVFWFLSA-N 1 3 317.477 2.384 20 0 DEADHO Cc1ccc(C[NH2+]CCCNC(=O)CN2CCC[C@@H]2C)cc1 ZINC001166633465 799907316 /nfs/dbraw/zinc/90/73/16/799907316.db2.gz GLFZOKRSBGFOQY-INIZCTEOSA-N 1 3 303.450 2.075 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CCCc2ccsc2)C1 ZINC001166677837 799918520 /nfs/dbraw/zinc/91/85/20/799918520.db2.gz NZQIJAWFFKXJEY-HNNXBMFYSA-N 1 3 323.506 2.118 20 0 DEADHO CN(CC(=O)NCCC[NH2+]Cc1ccccc1F)CC(C)(C)C ZINC001166743981 799938031 /nfs/dbraw/zinc/93/80/31/799938031.db2.gz BQIJIXDNENVMSK-UHFFFAOYSA-N 1 3 323.456 2.400 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+]CC[C@@H]1CCCC1(F)F)N(C)C ZINC001166865946 799968111 /nfs/dbraw/zinc/96/81/11/799968111.db2.gz JVOJBCQFOBRLBA-KBPBESRZSA-N 1 3 319.440 2.248 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+]C[C@@H]1CCCC(F)(F)C1)N(C)C ZINC001166866830 799968739 /nfs/dbraw/zinc/96/87/39/799968739.db2.gz VZTUKTYDCOCYCS-KGLIPLIRSA-N 1 3 319.440 2.248 20 0 DEADHO CCOc1ccccc1CN1CC[C@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001203543334 800076246 /nfs/dbraw/zinc/07/62/46/800076246.db2.gz YWOFFPGXOCZNPT-ZWKOTPCHSA-N 1 3 317.477 2.296 20 0 DEADHO CCOc1ccccc1CN1CC[C@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001203543334 800076254 /nfs/dbraw/zinc/07/62/54/800076254.db2.gz YWOFFPGXOCZNPT-ZWKOTPCHSA-N 1 3 317.477 2.296 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC=C(C)C)C12CCC2 ZINC001203650337 800099569 /nfs/dbraw/zinc/09/95/69/800099569.db2.gz GSQRGAKFKRTEIF-CVEARBPZSA-N 1 3 307.482 2.311 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@@H]([NH2+]CCC(C)C)C12CCC2 ZINC001203657933 800100668 /nfs/dbraw/zinc/10/06/68/800100668.db2.gz AHUCWBXXYIIOJC-HZPDHXFCSA-N 1 3 318.465 2.324 20 0 DEADHO Cn1cc[nH+]c1Nc1ccc(C2(N3CCN(C)CC3)CC2)cc1 ZINC001205092463 800295735 /nfs/dbraw/zinc/29/57/35/800295735.db2.gz VSNLLOWTKHPFDO-UHFFFAOYSA-N 1 3 311.433 2.400 20 0 DEADHO CN(CC(=O)N1CCC(C[NH2+]C/C=C\Cl)CC1)C1CCC1 ZINC001205469608 800361183 /nfs/dbraw/zinc/36/11/83/800361183.db2.gz OFNDGWWKKCAXIL-BAQGIRSFSA-N 1 3 313.873 2.051 20 0 DEADHO COC(=O)c1ccc(CN2CCC[C@@](F)(C[NH3+])CC2)c(OC)c1 ZINC001205559917 800377095 /nfs/dbraw/zinc/37/70/95/800377095.db2.gz XGDNSOJYEDMYLR-KRWDZBQOSA-N 1 3 324.396 2.135 20 0 DEADHO COC(=O)c1cc(CN2CCC[C@@](F)(C[NH3+])CC2)cc(OC)c1 ZINC001205578552 800380410 /nfs/dbraw/zinc/38/04/10/800380410.db2.gz FRAMHQGXMYJORS-KRWDZBQOSA-N 1 3 324.396 2.135 20 0 DEADHO CCOC(=O)c1cccc(CN2CC[C@@H](C[NH3+])[C@@H](C)CC2)n1 ZINC001205654200 800394214 /nfs/dbraw/zinc/39/42/14/800394214.db2.gz WRSVCXCPAJGOBY-KBPBESRZSA-N 1 3 305.422 2.065 20 0 DEADHO C[C@@H]1CC=CC[C@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000934620622 800400261 /nfs/dbraw/zinc/40/02/61/800400261.db2.gz DHOYOQZOPFSFFR-NXHRZFHOSA-N 1 3 315.461 2.350 20 0 DEADHO NC[C@@]1(O)CCCC[N@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC001205681503 800400581 /nfs/dbraw/zinc/40/05/81/800400581.db2.gz KRMPKEVKSIQPGD-IBGZPJMESA-N 1 3 311.429 2.424 20 0 DEADHO NC[C@@]1(O)CCCC[N@@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC001205681503 800400584 /nfs/dbraw/zinc/40/05/84/800400584.db2.gz KRMPKEVKSIQPGD-IBGZPJMESA-N 1 3 311.429 2.424 20 0 DEADHO [NH3+]C[C@@]1(O)CCCCN(Cc2ccc(-c3cccnc3)cc2)C1 ZINC001205681503 800400590 /nfs/dbraw/zinc/40/05/90/800400590.db2.gz KRMPKEVKSIQPGD-IBGZPJMESA-N 1 3 311.429 2.424 20 0 DEADHO CC[C@@H](C(=O)N1CCC(C[NH2+]CCC(F)(F)F)CC1)N(C)C ZINC001206302330 800504667 /nfs/dbraw/zinc/50/46/67/800504667.db2.gz WLBZMBFNAPDWIM-ZDUSSCGKSA-N 1 3 323.403 2.107 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CCC(C[NH2+]CCF)CC1 ZINC001206951199 800639462 /nfs/dbraw/zinc/63/94/62/800639462.db2.gz DEBNISFBQLWZCP-UHFFFAOYSA-N 1 3 321.440 2.160 20 0 DEADHO COC(C[NH+]1CCC2(CCN(Cc3ccoc3)C2)CC1)OC ZINC001207254035 800717293 /nfs/dbraw/zinc/71/72/93/800717293.db2.gz ZMZXPZCNYSXTPN-UHFFFAOYSA-N 1 3 308.422 2.186 20 0 DEADHO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3CC(C)(C)CN(C)C)O2)n1 ZINC001207280799 800722301 /nfs/dbraw/zinc/72/23/01/800722301.db2.gz WIBWBSZEQPQOOK-KFWWJZLASA-N 1 3 322.453 2.260 20 0 DEADHO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3CC(C)(C)CN(C)C)O2)n1 ZINC001207280799 800722304 /nfs/dbraw/zinc/72/23/04/800722304.db2.gz WIBWBSZEQPQOOK-KFWWJZLASA-N 1 3 322.453 2.260 20 0 DEADHO CN1CCCN(CC2CC[NH+](Cc3ccccc3)CC2)CC1=O ZINC001207291078 800724578 /nfs/dbraw/zinc/72/45/78/800724578.db2.gz JAULTJGLGVXTLF-UHFFFAOYSA-N 1 3 315.461 2.063 20 0 DEADHO C[NH+]1CCC(CN2CCCC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001207395102 800742429 /nfs/dbraw/zinc/74/24/29/800742429.db2.gz OZCMBDRMMKSBMB-UHFFFAOYSA-N 1 3 323.481 2.414 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000935963514 800813877 /nfs/dbraw/zinc/81/38/77/800813877.db2.gz OSQDQHJPNVVNSH-KRWDZBQOSA-N 1 3 321.465 2.433 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000935963514 800813882 /nfs/dbraw/zinc/81/38/82/800813882.db2.gz OSQDQHJPNVVNSH-KRWDZBQOSA-N 1 3 321.465 2.433 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@H]1C ZINC001207758019 800825273 /nfs/dbraw/zinc/82/52/73/800825273.db2.gz RRPYEAFSWSLFPU-HUUCEWRRSA-N 1 3 315.477 2.293 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCCCF)C[C@H]1C ZINC001207758019 800825280 /nfs/dbraw/zinc/82/52/80/800825280.db2.gz RRPYEAFSWSLFPU-HUUCEWRRSA-N 1 3 315.477 2.293 20 0 DEADHO Cc1ccc(CCCN2CCN(CC3CC[NH+](C)CC3)CC2)o1 ZINC001207948835 800870623 /nfs/dbraw/zinc/87/06/23/800870623.db2.gz AVMBYQOTGTYOBG-UHFFFAOYSA-N 1 3 319.493 2.480 20 0 DEADHO CC(C)[N@@H+]1CCOC[C@@]2(CCCN(CCCn3cccn3)C2)C1 ZINC001208075994 800906666 /nfs/dbraw/zinc/90/66/66/800906666.db2.gz FFKFLCGDURTAKT-GOSISDBHSA-N 1 3 320.481 2.096 20 0 DEADHO CC(C)[N@H+]1CCOC[C@@]2(CCCN(CCCn3cccn3)C2)C1 ZINC001208075994 800906670 /nfs/dbraw/zinc/90/66/70/800906670.db2.gz FFKFLCGDURTAKT-GOSISDBHSA-N 1 3 320.481 2.096 20 0 DEADHO Cc1cncnc1O[C@H]1CC[N@@H+](CC2(CN(C)C)CCCC2)C1 ZINC001208188769 800927050 /nfs/dbraw/zinc/92/70/50/800927050.db2.gz NLILFBLMSNYOEV-INIZCTEOSA-N 1 3 318.465 2.360 20 0 DEADHO Cc1cncnc1O[C@H]1CC[N@H+](CC2(CN(C)C)CCCC2)C1 ZINC001208188769 800927056 /nfs/dbraw/zinc/92/70/56/800927056.db2.gz NLILFBLMSNYOEV-INIZCTEOSA-N 1 3 318.465 2.360 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1)C1CC1 ZINC001208334156 800957815 /nfs/dbraw/zinc/95/78/15/800957815.db2.gz GLXWJBCDDYIABQ-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CN(Cc2ccc(CF)cc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208493130 800994824 /nfs/dbraw/zinc/99/48/24/800994824.db2.gz ULAJPFVZSXVQNE-RHSMWYFYSA-N 1 3 321.440 2.044 20 0 DEADHO CN(C[C@H]1CCC[N@H+](C)C1)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001208614023 801033171 /nfs/dbraw/zinc/03/31/71/801033171.db2.gz CKCQLYCOUKVEGB-CAOSSQGBSA-N 1 3 323.481 2.125 20 0 DEADHO CN(C[C@H]1CCC[N@@H+](C)C1)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001208614023 801033174 /nfs/dbraw/zinc/03/31/74/801033174.db2.gz CKCQLYCOUKVEGB-CAOSSQGBSA-N 1 3 323.481 2.125 20 0 DEADHO CC[N@H+](CCCN(C)C)CCOCCOCc1ccccc1 ZINC001208753787 801064371 /nfs/dbraw/zinc/06/43/71/801064371.db2.gz NUKGSJRDKCPZRN-UHFFFAOYSA-N 1 3 308.466 2.493 20 0 DEADHO CC[N@@H+](CCCN(C)C)CCOCCOCc1ccccc1 ZINC001208753787 801064378 /nfs/dbraw/zinc/06/43/78/801064378.db2.gz NUKGSJRDKCPZRN-UHFFFAOYSA-N 1 3 308.466 2.493 20 0 DEADHO C[N@H+](CCC(=O)N1CCC[C@H](NCCF)C1)C1CCCCC1 ZINC001208760140 801065485 /nfs/dbraw/zinc/06/54/85/801065485.db2.gz WXFSLEXRMIKNCN-HNNXBMFYSA-N 1 3 313.461 2.191 20 0 DEADHO C[N@@H+](CCC(=O)N1CCC[C@H](NCCF)C1)C1CCCCC1 ZINC001208760140 801065491 /nfs/dbraw/zinc/06/54/91/801065491.db2.gz WXFSLEXRMIKNCN-HNNXBMFYSA-N 1 3 313.461 2.191 20 0 DEADHO CCN1CCN(c2ccc(NC3=CC[N@H+](C)CC3)cc2)CC1 ZINC001208838799 801076163 /nfs/dbraw/zinc/07/61/63/801076163.db2.gz SPMPAFROMJDVDK-UHFFFAOYSA-N 1 3 300.450 2.460 20 0 DEADHO CCN1CCN(c2ccc(NC3=CC[N@@H+](C)CC3)cc2)CC1 ZINC001208838799 801076169 /nfs/dbraw/zinc/07/61/69/801076169.db2.gz SPMPAFROMJDVDK-UHFFFAOYSA-N 1 3 300.450 2.460 20 0 DEADHO COC(=O)C1CC[NH+](C[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001208940171 801098727 /nfs/dbraw/zinc/09/87/27/801098727.db2.gz AQSFRAOWKIDTSD-QGZVFWFLSA-N 1 3 316.445 2.394 20 0 DEADHO CC(C)C(=O)N1CC[C@H]2C[N@H+](CCCN3CCCCC3)CC[C@H]21 ZINC001209450132 801193215 /nfs/dbraw/zinc/19/32/15/801193215.db2.gz JPUCBZFOGVWSOD-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C(=O)N1CC[C@H]2C[N@@H+](CCCN3CCCCC3)CC[C@H]21 ZINC001209450132 801193217 /nfs/dbraw/zinc/19/32/17/801193217.db2.gz JPUCBZFOGVWSOD-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO CCN1C(=O)CCC12CC[NH+](CCCN1CCCCC1)CC2 ZINC001209451792 801194330 /nfs/dbraw/zinc/19/43/30/801194330.db2.gz RRZJICPVYFHARV-UHFFFAOYSA-N 1 3 307.482 2.339 20 0 DEADHO Cc1ccc(F)cc1CN1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001228992139 801206423 /nfs/dbraw/zinc/20/64/23/801206423.db2.gz OFGGVSDQPHIKAT-UHFFFAOYSA-N 1 3 321.440 2.166 20 0 DEADHO CC/C=C/CC[NH+]1CCC(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001229185244 801238969 /nfs/dbraw/zinc/23/89/69/801238969.db2.gz JTXWUADLGTVZMP-DWTRPJMMSA-N 1 3 307.482 2.265 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCCF ZINC001229868442 801330772 /nfs/dbraw/zinc/33/07/72/801330772.db2.gz HBSMRKQXXYALNU-HZPDHXFCSA-N 1 3 315.477 2.485 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001210217663 801352939 /nfs/dbraw/zinc/35/29/39/801352939.db2.gz KTDVLMPLVLSJDO-KRWDZBQOSA-N 1 3 321.440 2.248 20 0 DEADHO CC1CCN(CC(=O)N2CCC[C@H]([NH2+]C/C=C\Cl)C2)CC1 ZINC001210282411 801367581 /nfs/dbraw/zinc/36/75/81/801367581.db2.gz GDMOTPUYLFQFRX-FTWHOSCRSA-N 1 3 313.873 2.051 20 0 DEADHO Cc1ccc(C[NH+]2CCC(NC(=O)CN(C)C(C)C)CC2)cc1 ZINC001230374424 801395329 /nfs/dbraw/zinc/39/53/29/801395329.db2.gz WPXAPCMPZRHKNZ-UHFFFAOYSA-N 1 3 317.477 2.416 20 0 DEADHO CCN(CC)CC(=O)NCCC[N@H+](Cc1cccnc1)C(C)C ZINC001230871553 801517461 /nfs/dbraw/zinc/51/74/61/801517461.db2.gz LPPJZJHCRLCIQM-UHFFFAOYSA-N 1 3 320.481 2.140 20 0 DEADHO CCN(CC)CC(=O)NCCC[N@@H+](Cc1cccnc1)C(C)C ZINC001230871553 801517467 /nfs/dbraw/zinc/51/74/67/801517467.db2.gz LPPJZJHCRLCIQM-UHFFFAOYSA-N 1 3 320.481 2.140 20 0 DEADHO CC(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)C1 ZINC001211359073 801553143 /nfs/dbraw/zinc/55/31/43/801553143.db2.gz QXQQNIVVBYBZSY-ZACQAIPSSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)C1 ZINC001211359073 801553147 /nfs/dbraw/zinc/55/31/47/801553147.db2.gz QXQQNIVVBYBZSY-ZACQAIPSSA-N 1 3 309.498 2.199 20 0 DEADHO CC/C=C\CC[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001330656819 1149237176 /nfs/dbraw/zinc/23/71/76/1149237176.db2.gz UIACITNGSIWGSE-YPHDOGSUSA-N 1 3 307.482 2.169 20 0 DEADHO C[C@@H](C[NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1)CN(C)C ZINC000401907900 801858143 /nfs/dbraw/zinc/85/81/43/801858143.db2.gz IICNJFJUSAEWPN-RDJZCZTQSA-N 1 3 319.449 2.185 20 0 DEADHO C[C@@H](CN[C@H]1CCN(C(=O)OCc2ccccc2)C1)C[NH+](C)C ZINC000401907900 801858147 /nfs/dbraw/zinc/85/81/47/801858147.db2.gz IICNJFJUSAEWPN-RDJZCZTQSA-N 1 3 319.449 2.185 20 0 DEADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCCC(C)(C)C ZINC001215681344 801893645 /nfs/dbraw/zinc/89/36/45/801893645.db2.gz VUWUSXUKQHAEKK-UKRRQHHQSA-N 1 3 306.454 2.215 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC(C)C)C1 ZINC001216845088 802032031 /nfs/dbraw/zinc/03/20/31/802032031.db2.gz WZQKIISIBLPDNB-BRWVUGGUSA-N 1 3 309.498 2.343 20 0 DEADHO [NH3+]Cc1cccc(O[C@H]2COCCN(Cc3ccccc3)C2)c1 ZINC001218356896 802171274 /nfs/dbraw/zinc/17/12/74/802171274.db2.gz WENSJKMZVXCPGB-LJQANCHMSA-N 1 3 312.413 2.425 20 0 DEADHO Cc1cc(NC(=O)[C@@H](N)CCCC[NH+](C)C)cnc1OC(C)C ZINC001218760078 802237488 /nfs/dbraw/zinc/23/74/88/802237488.db2.gz QAKBRMBJGQABPY-HNNXBMFYSA-N 1 3 322.453 2.175 20 0 DEADHO O=C(Nc1ccc2c(c1)CC[NH2+]CC2)c1ccc2c(c1)CNC2 ZINC001218939806 802262289 /nfs/dbraw/zinc/26/22/89/802262289.db2.gz XRSRROTYNRUWOO-UHFFFAOYSA-N 1 3 307.397 2.230 20 0 DEADHO O=C(C[C@@H]1CCNC[C@@H]1F)Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001218997755 802273212 /nfs/dbraw/zinc/27/32/12/802273212.db2.gz WRCTWMGGNXEBTB-LZWOXQAQSA-N 1 3 305.397 2.040 20 0 DEADHO O=C(C[C@@H]1CCNC[C@H]1F)Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001218997757 802273920 /nfs/dbraw/zinc/27/39/20/802273920.db2.gz WRCTWMGGNXEBTB-SQWLQELKSA-N 1 3 305.397 2.040 20 0 DEADHO O=C(Nc1cccc(-c2cccs2)c1)[C@@H]1C[NH2+]CC12CNC2 ZINC001219271168 802304407 /nfs/dbraw/zinc/30/44/07/802304407.db2.gz QBUMTRBMBCTVER-AWEZNQCLSA-N 1 3 313.426 2.163 20 0 DEADHO O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219560559 802344726 /nfs/dbraw/zinc/34/47/26/802344726.db2.gz ZHZBPRUNEAPOGO-IAGOWNOFSA-N 1 3 313.445 2.054 20 0 DEADHO O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219560559 802344736 /nfs/dbraw/zinc/34/47/36/802344736.db2.gz ZHZBPRUNEAPOGO-IAGOWNOFSA-N 1 3 313.445 2.054 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)N1CCCCC1 ZINC001234346324 802359308 /nfs/dbraw/zinc/35/93/08/802359308.db2.gz SOFIEICMTLQMNE-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)N1CCCCC1 ZINC001234346324 802359315 /nfs/dbraw/zinc/35/93/15/802359315.db2.gz SOFIEICMTLQMNE-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CN1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001234346324 802359322 /nfs/dbraw/zinc/35/93/22/802359322.db2.gz SOFIEICMTLQMNE-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO N[C@@H](CCCC[NH3+])C(=O)NCc1cccc(-c2cccs2)c1 ZINC001220450908 802462089 /nfs/dbraw/zinc/46/20/89/802462089.db2.gz AZOXYUGPDTXEEN-HNNXBMFYSA-N 1 3 317.458 2.488 20 0 DEADHO Cc1cc([C@H](C)NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)ccc1Cl ZINC001220555611 802473213 /nfs/dbraw/zinc/47/32/13/802473213.db2.gz NJWRELBGNOIAGM-DXCKQFNASA-N 1 3 321.852 2.025 20 0 DEADHO C[C@@]1([NH3+])C[C@H](NC(=O)C[C@@H](N)c2ccc(C(F)(F)F)cc2)C1 ZINC001221238828 802541085 /nfs/dbraw/zinc/54/10/85/802541085.db2.gz DGAPGBBYPDZEJC-BZPMIXESSA-N 1 3 315.339 2.091 20 0 DEADHO CCCC(C[NH3+])(CCC)NC(=O)c1csc2c1CCNC2 ZINC001221375774 802562776 /nfs/dbraw/zinc/56/27/76/802562776.db2.gz RNGLEXKGEGLIGX-UHFFFAOYSA-N 1 3 309.479 2.421 20 0 DEADHO CC(C)Oc1ccccc1CN1CCNC2(CC[NH2+]CC2)C1 ZINC001222090422 802640463 /nfs/dbraw/zinc/64/04/63/802640463.db2.gz ALBNUUQFNNTRSY-UHFFFAOYSA-N 1 3 303.450 2.001 20 0 DEADHO CC(C)(C)Oc1ccccc1CN1CCNC2(CC[NH2+]CC2)C1 ZINC001222105033 802644487 /nfs/dbraw/zinc/64/44/87/802644487.db2.gz ROMQEWADSJHXLQ-UHFFFAOYSA-N 1 3 317.477 2.391 20 0 DEADHO CCCCC[NH+]1CCC(CNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001223472983 802792664 /nfs/dbraw/zinc/79/26/64/802792664.db2.gz ZJILWYQSKHVPRZ-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)=CC[NH+]1CCC(CNC(=O)CN(C)C2CCC2)CC1 ZINC001223495410 802795611 /nfs/dbraw/zinc/79/56/11/802795611.db2.gz NUNRGYQSGYGFCT-UHFFFAOYSA-N 1 3 307.482 2.265 20 0 DEADHO CCCCC[NH+]1CCC(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001224560932 802881605 /nfs/dbraw/zinc/88/16/05/802881605.db2.gz YXYXQOZJTMCPBF-INIZCTEOSA-N 1 3 309.498 2.347 20 0 DEADHO CN(C)C1(C(=O)NC2CC[NH+](CCC(C)(C)C)CC2)CCC1 ZINC001227807574 803283381 /nfs/dbraw/zinc/28/33/81/803283381.db2.gz SYQWPXMFIFNEHJ-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)NC1CC[NH+](Cc2ccc(C)cc2)CC1)N(C)C ZINC001227979279 803301030 /nfs/dbraw/zinc/30/10/30/803301030.db2.gz CRASEJGCYRCMNS-GOSISDBHSA-N 1 3 317.477 2.416 20 0 DEADHO COc1nc(Cl)c(CNCCCC[N@H+](C)C2CC2)n1C ZINC001330721777 1149271340 /nfs/dbraw/zinc/27/13/40/1149271340.db2.gz RKFFDTIDUFJPAM-UHFFFAOYSA-N 1 3 300.834 2.046 20 0 DEADHO COc1nc(Cl)c(CNCCCC[N@@H+](C)C2CC2)n1C ZINC001330721777 1149271364 /nfs/dbraw/zinc/27/13/64/1149271364.db2.gz RKFFDTIDUFJPAM-UHFFFAOYSA-N 1 3 300.834 2.046 20 0 DEADHO C[C@H](CCC[NH2+]CCF)NC(=O)C(C)(C)N1CCCCC1 ZINC001330813914 1149303620 /nfs/dbraw/zinc/30/36/20/1149303620.db2.gz STCFFXQMFHQWJO-CQSZACIVSA-N 1 3 301.450 2.095 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001331016282 1149360454 /nfs/dbraw/zinc/36/04/54/1149360454.db2.gz DDJWRXYVBXUYDI-GOSISDBHSA-N 1 3 309.498 2.491 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3CCC4(CCCC4)C3=O)C[C@@H]2C1 ZINC001334725530 1150336501 /nfs/dbraw/zinc/33/65/01/1150336501.db2.gz OWONBJZIDYDAGB-IXDOHACOSA-N 1 3 319.493 2.399 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001418824211 1167989625 /nfs/dbraw/zinc/98/96/25/1167989625.db2.gz IUDCFHZJHRNZFZ-OAHLLOKOSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)CCC2CC2)C1)N(C)C ZINC001370304336 1149511754 /nfs/dbraw/zinc/51/17/54/1149511754.db2.gz PBCCHOGBVDZQER-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H](C[N@@H+](C)CCC2CC2)C1)N(C)C ZINC001370304336 1149511798 /nfs/dbraw/zinc/51/17/98/1149511798.db2.gz PBCCHOGBVDZQER-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([N@H+](C)CC2CCCC2)C1 ZINC001420043186 1169098542 /nfs/dbraw/zinc/09/85/42/1169098542.db2.gz CUFRCSJALXVGRS-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCC2)C1 ZINC001420043186 1169098552 /nfs/dbraw/zinc/09/85/52/1169098552.db2.gz CUFRCSJALXVGRS-QGZVFWFLSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1)N(C)C ZINC001368351241 1148421493 /nfs/dbraw/zinc/42/14/93/1148421493.db2.gz WVINPROLQUFGJU-BZSNNMDCSA-N 1 3 323.525 2.495 20 0 DEADHO CN(CCC[N@H+](C)Cc1cccc(F)c1)C(=O)[C@H]1CCCN1C ZINC001368522032 1148476812 /nfs/dbraw/zinc/47/68/12/1148476812.db2.gz DXJUOICEEJIEQE-QGZVFWFLSA-N 1 3 321.440 2.200 20 0 DEADHO CN(CCC[N@@H+](C)Cc1cccc(F)c1)C(=O)[C@H]1CCCN1C ZINC001368522032 1148476815 /nfs/dbraw/zinc/47/68/15/1148476815.db2.gz DXJUOICEEJIEQE-QGZVFWFLSA-N 1 3 321.440 2.200 20 0 DEADHO CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001425497476 1174340917 /nfs/dbraw/zinc/34/09/17/1174340917.db2.gz REDRJHHAMSZWTG-PBHICJAKSA-N 1 3 313.461 2.045 20 0 DEADHO CC1CCC(N2CCN(C(=O)CC[NH2+]C(C)(C)C)CC2)CC1 ZINC001456417894 1057859129 /nfs/dbraw/zinc/85/91/29/1057859129.db2.gz KAXPZDXADQBBCX-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C1C[NH+](CC2CCCCC2)C1 ZINC001369148209 1148856503 /nfs/dbraw/zinc/85/65/03/1148856503.db2.gz HNUIITKLMAIACP-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C1C[NH+](CC2CCCCC2)C1 ZINC001369148206 1148856719 /nfs/dbraw/zinc/85/67/19/1148856719.db2.gz HNUIITKLMAIACP-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO CN(CC(=O)N1CC[C@@](C)(C[NH2+]CC2CCC2)C1)C1CCC1 ZINC001500354618 1058718423 /nfs/dbraw/zinc/71/84/23/1058718423.db2.gz VWHSVNGEBWTPHB-SFHVURJKSA-N 1 3 307.482 2.099 20 0 DEADHO CC[NH+]1CCC(CN2CCN([C@H](C)c3cccnc3)CC2)CC1 ZINC001461966238 1058745691 /nfs/dbraw/zinc/74/56/91/1058745691.db2.gz XXMZLRFLTCCDAV-QGZVFWFLSA-N 1 3 316.493 2.492 20 0 DEADHO CN1C[C@@H]2C[N@@H+](Cc3cc4ccc(F)cc4[nH]c3=O)C[C@@H]2C1 ZINC001462174110 1058774988 /nfs/dbraw/zinc/77/49/88/1058774988.db2.gz YKFLWSSBZZAELE-OKILXGFUSA-N 1 3 301.365 2.073 20 0 DEADHO CN1C[C@@H]2C[N@H+](Cc3cc4ccc(F)cc4[nH]c3=O)C[C@@H]2C1 ZINC001462174110 1058775006 /nfs/dbraw/zinc/77/50/06/1058775006.db2.gz YKFLWSSBZZAELE-OKILXGFUSA-N 1 3 301.365 2.073 20 0 DEADHO CCN(CC)CC[C@@H](C)[NH2+]C1CCN(c2cnccn2)CC1 ZINC001462675517 1058883306 /nfs/dbraw/zinc/88/33/06/1058883306.db2.gz UQBFDMPOLDUJFE-OAHLLOKOSA-N 1 3 305.470 2.155 20 0 DEADHO CC[NH2+][C@@H](CNC(=O)CN(C)C(C)C)c1ccccc1CC ZINC001501022605 1059209632 /nfs/dbraw/zinc/20/96/32/1059209632.db2.gz PWVLSFUFQADUIW-KRWDZBQOSA-N 1 3 305.466 2.356 20 0 DEADHO CC(C)CCC[N@H+]1C[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C1 ZINC001501230109 1059393923 /nfs/dbraw/zinc/39/39/23/1059393923.db2.gz SSKTXHOCAQDIDR-KURKYZTESA-N 1 3 321.509 2.155 20 0 DEADHO CC(C)CCC[N@@H+]1C[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C1 ZINC001501230109 1059393941 /nfs/dbraw/zinc/39/39/41/1059393941.db2.gz SSKTXHOCAQDIDR-KURKYZTESA-N 1 3 321.509 2.155 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCC1 ZINC001502019157 1059874882 /nfs/dbraw/zinc/87/48/82/1059874882.db2.gz PURASHZICVKSCO-ZACQAIPSSA-N 1 3 321.509 2.393 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001502125415 1059963433 /nfs/dbraw/zinc/96/34/33/1059963433.db2.gz BZQSQVQHGYAJFL-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001502125415 1059963457 /nfs/dbraw/zinc/96/34/57/1059963457.db2.gz BZQSQVQHGYAJFL-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)c1cccc(CC[NH+](C)C)c1 ZINC001472245044 1060456845 /nfs/dbraw/zinc/45/68/45/1060456845.db2.gz DUEJMERLSXZROR-KRWDZBQOSA-N 1 3 303.450 2.005 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@H]2C[N@H+](C)CCC2CC2)CCC1 ZINC001505434457 1060594562 /nfs/dbraw/zinc/59/45/62/1060594562.db2.gz RFFBGARSEIBNII-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@H]2C[N@@H+](C)CCC2CC2)CCC1 ZINC001505434457 1060594579 /nfs/dbraw/zinc/59/45/79/1060594579.db2.gz RFFBGARSEIBNII-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO CN(CC(=O)NC1CC(C[NH2+]CC2CCC2)C1)CC(C)(C)C ZINC001505518662 1060674012 /nfs/dbraw/zinc/67/40/12/1060674012.db2.gz RMNWFYIRFMCHSC-UHFFFAOYSA-N 1 3 309.498 2.249 20 0 DEADHO COC[C@@H](CN1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC001473778216 1060727960 /nfs/dbraw/zinc/72/79/60/1060727960.db2.gz VDBLCPMGIHHMFA-QRVBRYPASA-N 1 3 318.461 2.102 20 0 DEADHO COC[C@@H](CN1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC001473778216 1060727975 /nfs/dbraw/zinc/72/79/75/1060727975.db2.gz VDBLCPMGIHHMFA-QRVBRYPASA-N 1 3 318.461 2.102 20 0 DEADHO Cc1cc(CN(C)CCCNC(=O)C23CC[NH+](CC2)C3)cs1 ZINC001479808807 1061811716 /nfs/dbraw/zinc/81/17/16/1061811716.db2.gz PMTLFOHXHFMZBX-UHFFFAOYSA-N 1 3 321.490 2.090 20 0 DEADHO CC[C@@H](F)C[NH+]1CCC2(C[C@@H]2NC(=O)CN(C)C(C)C)CC1 ZINC001479988428 1062149346 /nfs/dbraw/zinc/14/93/46/1062149346.db2.gz PPCCOXPPAQJQTI-CABCVRRESA-N 1 3 313.461 2.045 20 0 DEADHO CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001506580502 1062153335 /nfs/dbraw/zinc/15/33/35/1062153335.db2.gz GZKDHIPRGGLBFN-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001506580502 1062153341 /nfs/dbraw/zinc/15/33/41/1062153341.db2.gz GZKDHIPRGGLBFN-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H](C)C1CN(Cc2ccccc2C)C1 ZINC001506666729 1062258722 /nfs/dbraw/zinc/25/87/22/1062258722.db2.gz OMIJHXZARCNSAA-INIZCTEOSA-N 1 3 317.477 2.273 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)C1CN(Cc2ccccc2C)C1 ZINC001506666729 1062258742 /nfs/dbraw/zinc/25/87/42/1062258742.db2.gz OMIJHXZARCNSAA-INIZCTEOSA-N 1 3 317.477 2.273 20 0 DEADHO Cc1ccccc1C[NH+]1CC([C@@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001506676564 1062267293 /nfs/dbraw/zinc/26/72/93/1062267293.db2.gz BOQWAZFCVVWACT-MRXNPFEDSA-N 1 3 317.477 2.272 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]2C[N@H+](CC3CC3)CC[C@H]21 ZINC001480187409 1062439303 /nfs/dbraw/zinc/43/93/03/1062439303.db2.gz CEUBJQSOPDOKFK-DLBZAZTESA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H]2C[N@@H+](CC3CC3)CC[C@H]21 ZINC001480187409 1062439309 /nfs/dbraw/zinc/43/93/09/1062439309.db2.gz CEUBJQSOPDOKFK-DLBZAZTESA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)N(C)CC(=O)N1CC2(C1)CCC[N@H+](CC1CCC1)C2 ZINC001506864939 1062450447 /nfs/dbraw/zinc/45/04/47/1062450447.db2.gz LIXDNSURGLYJTH-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)N(C)CC(=O)N1CC2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC001506864939 1062450457 /nfs/dbraw/zinc/45/04/57/1062450457.db2.gz LIXDNSURGLYJTH-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCC2CC2)C1 ZINC001506883989 1062469642 /nfs/dbraw/zinc/46/96/42/1062469642.db2.gz MJRIEJXQZOCJAP-BRWVUGGUSA-N 1 3 307.482 2.144 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001480472224 1062905426 /nfs/dbraw/zinc/90/54/26/1062905426.db2.gz NSBSSQXVFZKKKM-GOEBONIOSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001480478535 1062916482 /nfs/dbraw/zinc/91/64/82/1062916482.db2.gz ZXLOQODDZMDYOS-HNNXBMFYSA-N 1 3 303.450 2.074 20 0 DEADHO CCC(CC)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001493236682 1063659722 /nfs/dbraw/zinc/65/97/22/1063659722.db2.gz LZWNDEOUJYEFDM-DLBZAZTESA-N 1 3 311.514 2.447 20 0 DEADHO CCC(CC)C[N@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001493236682 1063659727 /nfs/dbraw/zinc/65/97/27/1063659727.db2.gz LZWNDEOUJYEFDM-DLBZAZTESA-N 1 3 311.514 2.447 20 0 DEADHO CN(CC[NH2+]Cc1ccccc1C1CC1)C(=O)[C@H]1CCCN1C ZINC001567475415 1064216114 /nfs/dbraw/zinc/21/61/14/1064216114.db2.gz HXZGMQVQABENJU-GOSISDBHSA-N 1 3 315.461 2.206 20 0 DEADHO CC(C)(C(=O)N[C@H]1CC[C@H]([NH2+]CCCF)CC1)N1CCCC1 ZINC001568108198 1064651120 /nfs/dbraw/zinc/65/11/20/1064651120.db2.gz DSSQMMUIUZSLTA-SHTZXODSSA-N 1 3 313.461 2.237 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CCC1CC1 ZINC001568197322 1064696777 /nfs/dbraw/zinc/69/67/77/1064696777.db2.gz RWINDRCBTSNICW-DOTOQJQBSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H](CNCC=C(Cl)Cl)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001568295597 1064761252 /nfs/dbraw/zinc/76/12/52/1064761252.db2.gz YSXSBLGCJCEXIM-NSHDSACASA-N 1 3 322.280 2.084 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NC1(C[NH2+]CCCF)CCCC1 ZINC001495211986 1064765543 /nfs/dbraw/zinc/76/55/43/1064765543.db2.gz PXGQMGHMHSPTPB-GJZGRUSLSA-N 1 3 313.461 2.237 20 0 DEADHO CC[C@H](C)C[NH2+]CC[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001568393920 1064834954 /nfs/dbraw/zinc/83/49/54/1064834954.db2.gz VYHOLLXKHHPDKB-GOEBONIOSA-N 1 3 306.454 2.359 20 0 DEADHO CN(C(=O)CC[NH+](C)C)[C@H](CNCc1ccccc1F)C1CC1 ZINC001369216166 1148871407 /nfs/dbraw/zinc/87/14/07/1148871407.db2.gz ZCUTYSBZHSERKJ-QGZVFWFLSA-N 1 3 321.440 2.104 20 0 DEADHO CC(C)=CCN(C)CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001568501428 1064917019 /nfs/dbraw/zinc/91/70/19/1064917019.db2.gz LTXORELWBUWKNZ-DLBZAZTESA-N 1 3 309.498 2.463 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CC[NH2+]Cc1cccc(C)c1 ZINC001568703702 1065062347 /nfs/dbraw/zinc/06/23/47/1065062347.db2.gz SPGGDTFHUIGLTM-CQSZACIVSA-N 1 3 314.433 2.254 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CC[NH2+]CC1CC2(CCC2)C1 ZINC001568703275 1065063377 /nfs/dbraw/zinc/06/33/77/1065063377.db2.gz KFJHRMIVDWIVBY-CYBMUJFWSA-N 1 3 318.465 2.325 20 0 DEADHO CCN(CCNCc1csc(C)c1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001568791895 1065121108 /nfs/dbraw/zinc/12/11/08/1065121108.db2.gz YBBHGCIYBGUVJJ-OAHLLOKOSA-N 1 3 323.506 2.336 20 0 DEADHO CCN(CCNCc1csc(C)c1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001568791895 1065121113 /nfs/dbraw/zinc/12/11/13/1065121113.db2.gz YBBHGCIYBGUVJJ-OAHLLOKOSA-N 1 3 323.506 2.336 20 0 DEADHO Cc1cc(C[NH2+]C/C=C\CNC(=O)C2(N(C)C)CCC2)cs1 ZINC001568862354 1065163275 /nfs/dbraw/zinc/16/32/75/1065163275.db2.gz HPRWQNWMHMDAJV-PLNGDYQASA-N 1 3 321.490 2.303 20 0 DEADHO Cc1ccc(CC[NH2+]CCCN(C)C(=O)[C@@H]2CCCN2C)cc1 ZINC001569189271 1065354133 /nfs/dbraw/zinc/35/41/33/1065354133.db2.gz YVNKRTIPYCUWTE-SFHVURJKSA-N 1 3 317.477 2.070 20 0 DEADHO CC(C)(C(=O)N[C@H](C[NH2+]C/C=C\Cl)C1CC1)N1CCCC1 ZINC001569314152 1065423893 /nfs/dbraw/zinc/42/38/93/1065423893.db2.gz ANULOWLCINQXGA-BMWLXYDHSA-N 1 3 313.873 2.098 20 0 DEADHO C[C@@H]([NH2+]CCF)[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001496445585 1065475252 /nfs/dbraw/zinc/47/52/52/1065475252.db2.gz CEYFLSPQGUXLRL-HUUCEWRRSA-N 1 3 315.477 2.151 20 0 DEADHO CC[NH+](CC)CCSCC(=O)N[C@@H]1CCCN(C(C)C)C1 ZINC001624765170 1078229547 /nfs/dbraw/zinc/22/95/47/1078229547.db2.gz LDYMFMZXFONKRZ-OAHLLOKOSA-N 1 3 315.527 2.050 20 0 DEADHO CCC(CC)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001569994181 1065868756 /nfs/dbraw/zinc/86/87/56/1065868756.db2.gz FXWVUBJQPYNPHG-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CCC2CC2)C1)N(C)C ZINC001570015160 1065883369 /nfs/dbraw/zinc/88/33/69/1065883369.db2.gz HGUSUOFSOWDUHA-SJORKVTESA-N 1 3 309.498 2.201 20 0 DEADHO CCCC[NH2+]CCN(CC)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001497453388 1066102778 /nfs/dbraw/zinc/10/27/78/1066102778.db2.gz BNUQGLOKBDLUJE-KRWDZBQOSA-N 1 3 315.477 2.437 20 0 DEADHO Cc1cc(C[NH2+]C/C=C/CNC(=O)CN(C)C2CCC2)cs1 ZINC001497596245 1066183766 /nfs/dbraw/zinc/18/37/66/1066183766.db2.gz IRRCDZPQEQMKLR-ONEGZZNKSA-N 1 3 321.490 2.303 20 0 DEADHO CC(C)N(C)CC(=O)NC/C=C\C[NH2+][C@H](C)c1ccc(F)cc1 ZINC001497763294 1066292825 /nfs/dbraw/zinc/29/28/25/1066292825.db2.gz LAZALBMTYKCKRC-IYKSTZQJSA-N 1 3 321.440 2.489 20 0 DEADHO CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC001575435068 1066300653 /nfs/dbraw/zinc/30/06/53/1066300653.db2.gz UVVLHOUNHGZSRS-ZWKOTPCHSA-N 1 3 317.477 2.041 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H]2CCN2C2CCCC2)C1 ZINC001630196480 1078334863 /nfs/dbraw/zinc/33/48/63/1078334863.db2.gz HNNGSPXSQBEIBY-JFIYKMOQSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H]2CCN2C2CCCC2)cc1 ZINC001576164338 1066507629 /nfs/dbraw/zinc/50/76/29/1066507629.db2.gz MTVLVHAZJRJIGG-CXAGYDPISA-N 1 3 301.434 2.453 20 0 DEADHO C[C@@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@H](c1ccccc1)N(C)C ZINC001576219190 1066525410 /nfs/dbraw/zinc/52/54/10/1066525410.db2.gz YXFTZMPTIHVFPI-MWQQHZPXSA-N 1 3 303.450 2.312 20 0 DEADHO Cc1cc(C[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)c(C)s1 ZINC001620781306 1066678260 /nfs/dbraw/zinc/67/82/60/1066678260.db2.gz ZJLOSZXMPVXTGB-CQSZACIVSA-N 1 3 309.479 2.042 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[N@H+](C)CC1CC2(CCC2)C1 ZINC001498434193 1066702924 /nfs/dbraw/zinc/70/29/24/1066702924.db2.gz OHPTVBMGLGOBES-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[N@@H+](C)CC1CC2(CCC2)C1 ZINC001498434193 1066702932 /nfs/dbraw/zinc/70/29/32/1066702932.db2.gz OHPTVBMGLGOBES-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO CCC([NH3+])(CC)CNC(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC001577107448 1066764603 /nfs/dbraw/zinc/76/46/03/1066764603.db2.gz YYJLSXLQGIKOMJ-MRXNPFEDSA-N 1 3 321.465 2.368 20 0 DEADHO CC[C@H](C(=O)N(C)CCC[NH2+]C[C@H]1CCC(F)(F)C1)N(C)C ZINC001498587663 1066790233 /nfs/dbraw/zinc/79/02/33/1066790233.db2.gz RGAMEQQZARLKFU-UONOGXRCSA-N 1 3 319.440 2.200 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CC[C@@H](C)F ZINC001498658733 1066825658 /nfs/dbraw/zinc/82/56/58/1066825658.db2.gz QOPXEYNFIIBXFW-HUUCEWRRSA-N 1 3 301.450 2.047 20 0 DEADHO CCCN(CCC[NH+](C)C)C(=O)c1cc2c(s1)CCNC2 ZINC001577519534 1066865942 /nfs/dbraw/zinc/86/59/42/1066865942.db2.gz ODJPUELUXIMHLH-UHFFFAOYSA-N 1 3 309.479 2.198 20 0 DEADHO CC[NH2+][C@H](C)C(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC001577800757 1066929411 /nfs/dbraw/zinc/92/94/11/1066929411.db2.gz YHSVSFJBNXFPLO-WBVHZDCISA-N 1 3 303.450 2.107 20 0 DEADHO CCC/C=C\CCN1CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001498978658 1066996711 /nfs/dbraw/zinc/99/67/11/1066996711.db2.gz IDDQXLRKCIVKOP-IFOCYFHOSA-N 1 3 319.493 2.265 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C[C@H](N)c3ccccc3)C[C@@H]2C1 ZINC001578410959 1067088941 /nfs/dbraw/zinc/08/89/41/1067088941.db2.gz NRIZCBCYTBNNFI-XDNAFOTISA-N 1 3 315.461 2.265 20 0 DEADHO C[NH2+][C@H](CNC(=O)C(C)(C)N1CCCCC1)Cc1ccccc1 ZINC001578590285 1067136237 /nfs/dbraw/zinc/13/62/37/1067136237.db2.gz SJGCNHIYEOUYDX-KRWDZBQOSA-N 1 3 317.477 2.198 20 0 DEADHO C[NH2+]C[C@H]1CCN(C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)C1 ZINC001578663525 1067146075 /nfs/dbraw/zinc/14/60/75/1067146075.db2.gz CXJJGJQQFSACQQ-RBSFLKMASA-N 1 3 311.470 2.031 20 0 DEADHO COC(=O)c1cc(CN2CCC(C(C)(C)C[NH3+])CC2)cn1C ZINC001578855867 1067183179 /nfs/dbraw/zinc/18/31/79/1067183179.db2.gz IQMWFCUVBPSMBN-UHFFFAOYSA-N 1 3 307.438 2.009 20 0 DEADHO COCC[C@@H](N)C[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC001579002310 1067219716 /nfs/dbraw/zinc/21/97/16/1067219716.db2.gz PYEXBGJSACBNPF-NEPJUHHUSA-N 1 3 315.820 2.011 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCF ZINC001483392682 1078503887 /nfs/dbraw/zinc/50/38/87/1078503887.db2.gz CDIMLNAAQMRWPE-GJZGRUSLSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCF ZINC001483392682 1078503890 /nfs/dbraw/zinc/50/38/90/1078503890.db2.gz CDIMLNAAQMRWPE-GJZGRUSLSA-N 1 3 301.450 2.045 20 0 DEADHO C[C@H](C[N@H+](C)CCc1ccccc1)NC(=O)CN1CC[C@H](C)C1 ZINC001483384591 1078497444 /nfs/dbraw/zinc/49/74/44/1078497444.db2.gz QIPWYNFWWTYBHJ-DLBZAZTESA-N 1 3 317.477 2.007 20 0 DEADHO C[C@H](C[N@@H+](C)CCc1ccccc1)NC(=O)CN1CC[C@H](C)C1 ZINC001483384591 1078497448 /nfs/dbraw/zinc/49/74/48/1078497448.db2.gz QIPWYNFWWTYBHJ-DLBZAZTESA-N 1 3 317.477 2.007 20 0 DEADHO Cc1c(C[C@H](CN)C[NH2+][C@H]2CCO[C@@H](CC(C)C)C2)cnn1C ZINC001579529539 1067362988 /nfs/dbraw/zinc/36/29/88/1067362988.db2.gz KLJZKVKIJQFCJO-NJAFHUGGSA-N 1 3 322.497 2.029 20 0 DEADHO FC1(c2ccccn2)CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC001580028493 1067475087 /nfs/dbraw/zinc/47/50/87/1067475087.db2.gz ZLAYSXCLDDIKID-NVXWUHKLSA-N 1 3 319.424 2.111 20 0 DEADHO [NH3+][C@H]1CC2(CCN(CCn3cccn3)CC2)Oc2ccccc21 ZINC001580166951 1067514761 /nfs/dbraw/zinc/51/47/61/1067514761.db2.gz XUZSAXLCXSMPHB-INIZCTEOSA-N 1 3 312.417 2.200 20 0 DEADHO CN(CCC[NH2+][C@H]1CCc2ccccc21)C(=O)[C@@H]1CCCN1C ZINC001483455846 1078544264 /nfs/dbraw/zinc/54/42/64/1078544264.db2.gz FVQYBRFMUYSSCJ-ROUUACIJSA-N 1 3 315.461 2.206 20 0 DEADHO CC(C)[N@H+](CCCNC(=O)[C@@H]1CCCN1C)CCC(F)(F)F ZINC001267239945 1078691619 /nfs/dbraw/zinc/69/16/19/1078691619.db2.gz VRHUHCWUYFWAEN-ZDUSSCGKSA-N 1 3 323.403 2.250 20 0 DEADHO CC(C)[N@@H+](CCCNC(=O)[C@@H]1CCCN1C)CCC(F)(F)F ZINC001267239945 1078691623 /nfs/dbraw/zinc/69/16/23/1078691623.db2.gz VRHUHCWUYFWAEN-ZDUSSCGKSA-N 1 3 323.403 2.250 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@H]1CCN1CCC1CCCCCC1 ZINC001483676749 1078774873 /nfs/dbraw/zinc/77/48/73/1078774873.db2.gz KSKASPNDYFOAHZ-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CCN(C[C@]1(O)CCC[NH2+]C1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001573770882 1069101638 /nfs/dbraw/zinc/10/16/38/1069101638.db2.gz DGAOXQBQNBPTSV-YJBOKZPZSA-N 1 3 306.450 2.063 20 0 DEADHO CCC(CC)C[NH+]1CCC2(CCN(CCN(C)C)C2=O)CC1 ZINC001272422899 1078861092 /nfs/dbraw/zinc/86/10/92/1078861092.db2.gz AOXKMNOZJJANDU-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CCC[C@H](C)C[NH+]1CCC2(CCN(CCN(C)C)C2=O)CC1 ZINC001272433767 1078874121 /nfs/dbraw/zinc/87/41/21/1078874121.db2.gz YFBMXVWVORJXCU-INIZCTEOSA-N 1 3 309.498 2.299 20 0 DEADHO Cc1cccc(Cl)c1CNCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267469000 1078885127 /nfs/dbraw/zinc/88/51/27/1078885127.db2.gz GDPSOOUUCCSMNV-AWEZNQCLSA-N 1 3 323.868 2.148 20 0 DEADHO Cc1cccc(Cl)c1CNCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267469000 1078885133 /nfs/dbraw/zinc/88/51/33/1078885133.db2.gz GDPSOOUUCCSMNV-AWEZNQCLSA-N 1 3 323.868 2.148 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C2(N(C)C)CCCC2)C1 ZINC001540935340 1072434473 /nfs/dbraw/zinc/43/44/73/1072434473.db2.gz WPQZHNAQRNVYQP-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO [NH3+]CC[C@@H]1CN(C(=O)c2cccc3c2CNC3)c2ccccc21 ZINC001548580610 1072695647 /nfs/dbraw/zinc/69/56/47/1072695647.db2.gz UNMBTYXSHZJHOK-CQSZACIVSA-N 1 3 307.397 2.383 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC001548584587 1072698000 /nfs/dbraw/zinc/69/80/00/1072698000.db2.gz LSBFNFDHOZIUTB-HNNXBMFYSA-N 1 3 315.417 2.304 20 0 DEADHO COc1cc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)ncc1C ZINC001549284311 1073111128 /nfs/dbraw/zinc/11/11/28/1073111128.db2.gz RDGBHIMKPLJYDN-DAYGRLMNSA-N 1 3 319.449 2.117 20 0 DEADHO CC[N@H+](CCNC(=O)CN(C)CC(C)(C)C)CC1CC(C)C1 ZINC001481000627 1079047244 /nfs/dbraw/zinc/04/72/44/1079047244.db2.gz CDBBADUAXSFHIM-UHFFFAOYSA-N 1 3 311.514 2.449 20 0 DEADHO CC[N@@H+](CCNC(=O)CN(C)CC(C)(C)C)CC1CC(C)C1 ZINC001481000627 1079047250 /nfs/dbraw/zinc/04/72/50/1079047250.db2.gz CDBBADUAXSFHIM-UHFFFAOYSA-N 1 3 311.514 2.449 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)NCC2(NC/C=C/Cl)CC2)C1 ZINC001483761044 1079081110 /nfs/dbraw/zinc/08/11/10/1079081110.db2.gz IYCUBGDAXAHUGK-PXYYCUNGSA-N 1 3 313.873 2.099 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)NCC2(NC/C=C/Cl)CC2)C1 ZINC001483761044 1079081113 /nfs/dbraw/zinc/08/11/13/1079081113.db2.gz IYCUBGDAXAHUGK-PXYYCUNGSA-N 1 3 313.873 2.099 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@@H](NCc1ccccc1F)C2 ZINC001550423963 1073648073 /nfs/dbraw/zinc/64/80/73/1073648073.db2.gz VKALYUWTHJCNRS-MHORFTMASA-N 1 3 306.425 2.395 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@@H](NCc1ccccc1F)C2 ZINC001550423963 1073648078 /nfs/dbraw/zinc/64/80/78/1073648078.db2.gz VKALYUWTHJCNRS-MHORFTMASA-N 1 3 306.425 2.395 20 0 DEADHO Cn1nccc1[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCCN[C@@H]3C2(C)C)CCO1 ZINC001550474075 1073670709 /nfs/dbraw/zinc/67/07/09/1073670709.db2.gz IYDWELIJLZKLRX-NOYHWAJDSA-N 1 3 318.465 2.006 20 0 DEADHO Cn1nccc1[C@@H]1C[C@H](N[C@@H]2[C@H]3CCC[NH2+][C@@H]3C2(C)C)CCO1 ZINC001550474075 1073670713 /nfs/dbraw/zinc/67/07/13/1073670713.db2.gz IYDWELIJLZKLRX-NOYHWAJDSA-N 1 3 318.465 2.006 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CCCCCF)CCN1C(=O)Cc1c[nH]cn1 ZINC001671245077 1079179395 /nfs/dbraw/zinc/17/93/95/1079179395.db2.gz MBROHLIGZFOOBC-KGLIPLIRSA-N 1 3 310.417 2.061 20 0 DEADHO CCCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001481096573 1079180355 /nfs/dbraw/zinc/18/03/55/1079180355.db2.gz TWBOODBIVJHWPB-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO CCCCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001481096573 1079180358 /nfs/dbraw/zinc/18/03/58/1079180358.db2.gz TWBOODBIVJHWPB-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@H](NC[C@@H]1CCCN1C(=O)CC[NH+](C)C)c1ccccc1F ZINC001483943258 1079199548 /nfs/dbraw/zinc/19/95/48/1079199548.db2.gz RILZRHLDENERCH-CABCVRRESA-N 1 3 321.440 2.419 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@H]2CN(Cn3c4ccccc4oc3=O)C[C@H]2C1 ZINC001551383350 1074198675 /nfs/dbraw/zinc/19/86/75/1074198675.db2.gz RGZHXSZEUXIMFY-RRFJBIMHSA-N 1 3 315.417 2.214 20 0 DEADHO [NH3+]CC[C@H]1CCCCN1C[C@@H](O)COc1ccc(Cl)cc1 ZINC001646279612 1074397947 /nfs/dbraw/zinc/39/79/47/1074397947.db2.gz CIHUSKLVMXKBSD-HUUCEWRRSA-N 1 3 312.841 2.283 20 0 DEADHO CN(C)Cc1cccc(NC(=O)[C@@H]2C[C@@H]2C2CC[NH2+]CC2)c1 ZINC001552167074 1074482476 /nfs/dbraw/zinc/48/24/76/1074482476.db2.gz KHZFIJLIOHMILR-IAGOWNOFSA-N 1 3 301.434 2.322 20 0 DEADHO CN(C(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CCN(C)C1 ZINC001552234921 1074501709 /nfs/dbraw/zinc/50/17/09/1074501709.db2.gz STROQXXZSUJQMI-MSOLQXFVSA-N 1 3 315.461 2.029 20 0 DEADHO CC(C)[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CCN1 ZINC001552302829 1074532071 /nfs/dbraw/zinc/53/20/71/1074532071.db2.gz APZXAWJHBBJGCF-OKZBNKHCSA-N 1 3 315.461 2.136 20 0 DEADHO CC(C)[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CCN1 ZINC001552302829 1074532079 /nfs/dbraw/zinc/53/20/79/1074532079.db2.gz APZXAWJHBBJGCF-OKZBNKHCSA-N 1 3 315.461 2.136 20 0 DEADHO C[C@H]1CN(C(=O)NC2CCC(C)(C[NH3+])CC2)CCN(C2CC2)C1 ZINC001552345293 1074549273 /nfs/dbraw/zinc/54/92/73/1074549273.db2.gz MSSMZYOSAJKGJS-KSTDHSDQSA-N 1 3 322.497 2.020 20 0 DEADHO CCc1ccc([C@H](CNC(=O)C2([NH2+]C)CCC2)N(C)C)cc1 ZINC001646735497 1074585953 /nfs/dbraw/zinc/58/59/53/1074585953.db2.gz BSOQTORPKYVFAY-INIZCTEOSA-N 1 3 303.450 2.110 20 0 DEADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 ZINC001646769935 1074610038 /nfs/dbraw/zinc/61/00/38/1074610038.db2.gz ZEIHZPAUEAYANU-OBVSXPTNSA-N 1 3 319.493 2.430 20 0 DEADHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]C/C=C/c1ccccc1)N(C)C ZINC001369282006 1148890789 /nfs/dbraw/zinc/89/07/89/1148890789.db2.gz FSDTZAFEVXOYLL-ZODAKWMJSA-N 1 3 317.477 2.477 20 0 DEADHO CC(C)[C@H](C(=O)NCC1CN(CC2=CCCCC2)C1)[NH+](C)C ZINC001267696979 1079385957 /nfs/dbraw/zinc/38/59/57/1079385957.db2.gz BZLWHBHDXLJBME-QGZVFWFLSA-N 1 3 307.482 2.121 20 0 DEADHO CCCCC[NH+]1CCC2(C[C@@H]2NC(=O)Cc2nc[nH]c2C)CC1 ZINC001566694628 1075319626 /nfs/dbraw/zinc/31/96/26/1075319626.db2.gz KXPNDRFWCMPGQA-INIZCTEOSA-N 1 3 318.465 2.422 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCN1C ZINC001481216388 1079416407 /nfs/dbraw/zinc/41/64/07/1079416407.db2.gz ZTJOOOPIYOOKDF-DOTOQJQBSA-N 1 3 303.450 2.198 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC[C@@H](O)CC2(CO)CCCC2)C1 ZINC001650160751 1079427764 /nfs/dbraw/zinc/42/77/64/1079427764.db2.gz NXKQWQTTZCYNBZ-HOTGVXAUSA-N 1 3 312.498 2.000 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@@H](CNC[C@@H](O)CC2(CO)CCCC2)C1 ZINC001650160751 1079427768 /nfs/dbraw/zinc/42/77/68/1079427768.db2.gz NXKQWQTTZCYNBZ-HOTGVXAUSA-N 1 3 312.498 2.000 20 0 DEADHO OCCCN(Cc1cccc(Cl)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001580883547 1076013386 /nfs/dbraw/zinc/01/33/86/1076013386.db2.gz UAOYEVMSZVPSTK-INIZCTEOSA-N 1 3 324.852 2.045 20 0 DEADHO c1nnn(-c2ccccc2)c1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC001580892157 1076016638 /nfs/dbraw/zinc/01/66/38/1076016638.db2.gz PAMPOBGFOFTNLR-HZPDHXFCSA-N 1 3 311.433 2.089 20 0 DEADHO C[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001589957082 1076536379 /nfs/dbraw/zinc/53/63/79/1076536379.db2.gz RGCYRRULXYHAHT-BZUNDVKYSA-N 1 3 300.410 2.035 20 0 DEADHO C[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001589957082 1076536383 /nfs/dbraw/zinc/53/63/83/1076536383.db2.gz RGCYRRULXYHAHT-BZUNDVKYSA-N 1 3 300.410 2.035 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH2+]CCN(C)C(=O)CN1CCCC1 ZINC001493793279 1079610493 /nfs/dbraw/zinc/61/04/93/1079610493.db2.gz FVOFTXXUZICBRH-MRXNPFEDSA-N 1 3 303.450 2.200 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CCc1cccs1 ZINC001493805944 1079629882 /nfs/dbraw/zinc/62/98/82/1079629882.db2.gz BQGBQECOHULJEG-MRXNPFEDSA-N 1 3 323.506 2.213 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCC1 ZINC001484663004 1079717177 /nfs/dbraw/zinc/71/71/77/1079717177.db2.gz DBNAAMSLZCSCMB-ZACQAIPSSA-N 1 3 321.509 2.391 20 0 DEADHO C[NH+](C)CCC(=O)NCC[C@@H]1CCN(Cc2ccccc2F)C1 ZINC001481448474 1079867054 /nfs/dbraw/zinc/86/70/54/1079867054.db2.gz ZACOCPKELJGLNZ-OAHLLOKOSA-N 1 3 321.440 2.106 20 0 DEADHO CC(C)CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001485050614 1079938328 /nfs/dbraw/zinc/93/83/28/1079938328.db2.gz OHERDKAZORIRBO-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001485050614 1079938332 /nfs/dbraw/zinc/93/83/32/1079938332.db2.gz OHERDKAZORIRBO-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnn(C)c2C2CC2)C[C@@H](C)O1 ZINC001655681130 1080012175 /nfs/dbraw/zinc/01/21/75/1080012175.db2.gz GGWXPXSKXPHVRN-HUUCEWRRSA-N 1 3 320.481 2.277 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H](C)[NH2+]Cc1ccsc1 ZINC001485156825 1080028499 /nfs/dbraw/zinc/02/84/99/1080028499.db2.gz PUIFOZFAXPVTEB-CHWSQXEVSA-N 1 3 309.479 2.215 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C[NH2+]CCCF)C1CCCCC1 ZINC001268122310 1080090655 /nfs/dbraw/zinc/09/06/55/1080090655.db2.gz HFGJFNAIYTYHGO-INIZCTEOSA-N 1 3 324.444 2.275 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCCC[C@@H]2CC[NH2+]CCCF)C1 ZINC001268163902 1080141720 /nfs/dbraw/zinc/14/17/20/1080141720.db2.gz RXNBZXFLZLEEID-JKSUJKDBSA-N 1 3 313.461 2.049 20 0 DEADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[N@H+](C)CC1CC(C)C1 ZINC001485350513 1080161233 /nfs/dbraw/zinc/16/12/33/1080161233.db2.gz OFWQMFFJKUHVHA-HWOWSKLDSA-N 1 3 311.514 2.447 20 0 DEADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[N@@H+](C)CC1CC(C)C1 ZINC001485350513 1080161234 /nfs/dbraw/zinc/16/12/34/1080161234.db2.gz OFWQMFFJKUHVHA-HWOWSKLDSA-N 1 3 311.514 2.447 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C1C[NH+](CC2CC3(CCC3)C2)C1 ZINC001485532244 1080288715 /nfs/dbraw/zinc/28/87/15/1080288715.db2.gz DWJIKAWSKVFOBA-HNNXBMFYSA-N 1 3 321.509 2.345 20 0 DEADHO CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001481681091 1080290247 /nfs/dbraw/zinc/29/02/47/1080290247.db2.gz FZCGBISBKARMLT-ULQDDVLXSA-N 1 3 307.482 2.194 20 0 DEADHO CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001481681091 1080290253 /nfs/dbraw/zinc/29/02/53/1080290253.db2.gz FZCGBISBKARMLT-ULQDDVLXSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)N1CCN(CCC[NH2+][C@H]2CCOCC23CCCC3)CC1 ZINC001660662782 1080376964 /nfs/dbraw/zinc/37/69/64/1080376964.db2.gz OAAFSJLHZNOAOL-SFHVURJKSA-N 1 3 323.525 2.341 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)CCNC/C(Cl)=C/Cl)[NH+](C)C ZINC001268375726 1080393951 /nfs/dbraw/zinc/39/39/51/1080393951.db2.gz WRFKTQCTSOZFGL-LXSPXAAKSA-N 1 3 324.296 2.376 20 0 DEADHO CC[C@H](C(=O)NC1(C[NH2+]CCC(F)(F)F)CCCC1)N(C)C ZINC001481910030 1080598544 /nfs/dbraw/zinc/59/85/44/1080598544.db2.gz GPTIIMYMUIKDEI-GFCCVEGCSA-N 1 3 323.403 2.298 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@](C)(C[NH2+]CC1CC1)C1CC1 ZINC001481932188 1080621207 /nfs/dbraw/zinc/62/12/07/1080621207.db2.gz VFZTXYZLKOSDDB-AEFFLSMTSA-N 1 3 307.482 2.144 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+][C@@H]1CCc2ccccc21 ZINC001482173164 1080878249 /nfs/dbraw/zinc/87/82/49/1080878249.db2.gz GYSQROANXLGNML-CRAIPNDOSA-N 1 3 317.477 2.356 20 0 DEADHO CC/C=C\CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001664795716 1080961774 /nfs/dbraw/zinc/96/17/74/1080961774.db2.gz BNAKADFRVRWWBD-JOGGYFKDSA-N 1 3 307.482 2.217 20 0 DEADHO CC/C=C\CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001664795716 1080961778 /nfs/dbraw/zinc/96/17/78/1080961778.db2.gz BNAKADFRVRWWBD-JOGGYFKDSA-N 1 3 307.482 2.217 20 0 DEADHO CN(CCC[NH2+]Cc1cccc(Cl)c1)C(=O)CN1CCCC1 ZINC001268950091 1081055741 /nfs/dbraw/zinc/05/57/41/1081055741.db2.gz LATVRAMOEXZNRT-UHFFFAOYSA-N 1 3 323.868 2.374 20 0 DEADHO CC[C@H](F)C[NH2+]CC[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001666174092 1081130413 /nfs/dbraw/zinc/13/04/13/1081130413.db2.gz XVKGDNIBBYABCR-HOTGVXAUSA-N 1 3 315.477 2.293 20 0 DEADHO C[C@@H](C[NH2+]C/C=C\c1ccccc1)N(C)C(=O)[C@H]1CCCN1C ZINC001666966769 1081198160 /nfs/dbraw/zinc/19/81/60/1081198160.db2.gz CCEHNCHVSJBLKX-KIFJCJGTSA-N 1 3 315.461 2.231 20 0 DEADHO CC[C@@H](F)C[NH2+]CC[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001668061781 1081311583 /nfs/dbraw/zinc/31/15/83/1081311583.db2.gz XNBMREXCCTUUSE-LSDHHAIUSA-N 1 3 315.477 2.483 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CC2CCC2)CCCC1 ZINC001482236135 1081325095 /nfs/dbraw/zinc/32/50/95/1081325095.db2.gz FJGXODGWPTWUCE-UHFFFAOYSA-N 1 3 304.438 2.079 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C)cc1 ZINC001668288589 1081338134 /nfs/dbraw/zinc/33/81/34/1081338134.db2.gz MXCUBPVQQWOQRC-AWEZNQCLSA-N 1 3 314.433 2.254 20 0 DEADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000950490865 1081352736 /nfs/dbraw/zinc/35/27/36/1081352736.db2.gz GETIKCQIHVMORX-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000950490865 1081352742 /nfs/dbraw/zinc/35/27/42/1081352742.db2.gz GETIKCQIHVMORX-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO CC[C@H](C(=O)N(CC)CC[NH2+]C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001668618877 1081372670 /nfs/dbraw/zinc/37/26/70/1081372670.db2.gz CFBKZXDOHJLYNZ-ZIAGYGMSSA-N 1 3 319.440 2.200 20 0 DEADHO C[C@@H](F)CC[NH2+]CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001269943661 1081406978 /nfs/dbraw/zinc/40/69/78/1081406978.db2.gz SCMODSNWCFVHAX-OAHLLOKOSA-N 1 3 313.461 2.049 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\CNC/C=C\Cl ZINC001669074738 1081425293 /nfs/dbraw/zinc/42/52/93/1081425293.db2.gz CQYOGALGRXZCSQ-VQHVVWQRSA-N 1 3 313.873 2.264 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\CNC/C=C\Cl ZINC001669074738 1081425297 /nfs/dbraw/zinc/42/52/97/1081425297.db2.gz CQYOGALGRXZCSQ-VQHVVWQRSA-N 1 3 313.873 2.264 20 0 DEADHO Cc1ccc(C)c(C[NH2+]C/C=C\CNC(=O)CN(C)C(C)C)c1 ZINC001669209158 1081438617 /nfs/dbraw/zinc/43/86/17/1081438617.db2.gz YVNYLKUNERHIEG-SREVYHEPSA-N 1 3 317.477 2.406 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[NH2+]CCCc1ccsc1 ZINC001669457677 1081451271 /nfs/dbraw/zinc/45/12/71/1081451271.db2.gz IKCDOBVCDWRHDN-GFCCVEGCSA-N 1 3 320.462 2.049 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1CNCCF)[NH+]1CCCCC1 ZINC001270193078 1081471867 /nfs/dbraw/zinc/47/18/67/1081471867.db2.gz GIROQDOTPAZVBB-CVEARBPZSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@@H](C(=O)NC1(C)CC[NH+](CCCCCF)CC1)N(C)C ZINC001270249672 1081485326 /nfs/dbraw/zinc/48/53/26/1081485326.db2.gz VVVNVBQGQMRXKV-HNNXBMFYSA-N 1 3 315.477 2.437 20 0 DEADHO CC(C)=CC[NH2+]C[C@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001270737097 1081618132 /nfs/dbraw/zinc/61/81/32/1081618132.db2.gz FMLNAIZLTCOMPD-KRWDZBQOSA-N 1 3 307.482 2.265 20 0 DEADHO C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCN1C1CCCCC1)CC2 ZINC001270916213 1081835745 /nfs/dbraw/zinc/83/57/45/1081835745.db2.gz ODFQOUCPUNJSSX-KRWDZBQOSA-N 1 3 319.493 2.338 20 0 DEADHO C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCN1C1CCCCC1)CC2 ZINC001270916213 1081835753 /nfs/dbraw/zinc/83/57/53/1081835753.db2.gz ODFQOUCPUNJSSX-KRWDZBQOSA-N 1 3 319.493 2.338 20 0 DEADHO O=C(CCCC[NH+]1CCCC1)N[C@H]1CCCN(CCCF)C1 ZINC001266252768 1081917769 /nfs/dbraw/zinc/91/77/69/1081917769.db2.gz ZVINORJCWDMQEI-INIZCTEOSA-N 1 3 313.461 2.193 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2=CCCCC2)C1)N(C)C ZINC001266325058 1081972804 /nfs/dbraw/zinc/97/28/04/1081972804.db2.gz JDHHZIKXUHQPGB-SJORKVTESA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2=CCCCC2)C1)N(C)C ZINC001266325058 1081972807 /nfs/dbraw/zinc/97/28/07/1081972807.db2.gz JDHHZIKXUHQPGB-SJORKVTESA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)C[C@@H](C[NH2+]CCF)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001271304725 1082009020 /nfs/dbraw/zinc/00/90/20/1082009020.db2.gz MSCRQAYHNNBZBO-HOTGVXAUSA-N 1 3 315.477 2.339 20 0 DEADHO CC(C)=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001266451773 1082046065 /nfs/dbraw/zinc/04/60/65/1082046065.db2.gz GVDABJPHMSHULB-DLBZAZTESA-N 1 3 307.482 2.217 20 0 DEADHO CC(C)=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001266451773 1082046073 /nfs/dbraw/zinc/04/60/73/1082046073.db2.gz GVDABJPHMSHULB-DLBZAZTESA-N 1 3 307.482 2.217 20 0 DEADHO CCCCCC[N@@H+]1CC[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001266533886 1082126937 /nfs/dbraw/zinc/12/69/37/1082126937.db2.gz RYJQYEGXBZQTEE-SJORKVTESA-N 1 3 309.498 2.347 20 0 DEADHO CCCCCC[N@H+]1CC[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001266533886 1082126942 /nfs/dbraw/zinc/12/69/42/1082126942.db2.gz RYJQYEGXBZQTEE-SJORKVTESA-N 1 3 309.498 2.347 20 0 DEADHO CC(C)C[C@@H]([NH3+])CC(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC001648975165 1082274730 /nfs/dbraw/zinc/27/47/30/1082274730.db2.gz GHOXCCZBIPWELA-HUUCEWRRSA-N 1 3 319.449 2.106 20 0 DEADHO CC(C)=CCN(C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001272049374 1082336500 /nfs/dbraw/zinc/33/65/00/1082336500.db2.gz PQMDHEOFOGNVKG-IRXDYDNUSA-N 1 3 307.482 2.360 20 0 DEADHO CC(C)=CCN(C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001272049374 1082336505 /nfs/dbraw/zinc/33/65/05/1082336505.db2.gz PQMDHEOFOGNVKG-IRXDYDNUSA-N 1 3 307.482 2.360 20 0 DEADHO CC(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266807535 1082360291 /nfs/dbraw/zinc/36/02/91/1082360291.db2.gz NCGIAICXDJGPHS-IAGOWNOFSA-N 1 3 311.514 2.447 20 0 DEADHO Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)N(C)C)cc1C ZINC001266828134 1082375657 /nfs/dbraw/zinc/37/56/57/1082375657.db2.gz OOLSTLQYMMEADP-GOSISDBHSA-N 1 3 319.493 2.438 20 0 DEADHO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@H]1CC[C@H]2CCCCN21 ZINC001648984700 1082397111 /nfs/dbraw/zinc/39/71/11/1082397111.db2.gz DKLYAVRNTNOJBW-CZUORRHYSA-N 1 3 317.408 2.427 20 0 DEADHO CCN(CC[NH2+]CCC1CCCCC1)C(=O)Cc1c[nH]cn1 ZINC001482952344 1082575360 /nfs/dbraw/zinc/57/53/60/1082575360.db2.gz HBVGRTIIDSIAET-UHFFFAOYSA-N 1 3 306.454 2.361 20 0 DEADHO C[C@H](C(=O)NC/C=C\CNC/C=C/Cl)[NH+]1CCCCCC1 ZINC001483069148 1082689539 /nfs/dbraw/zinc/68/95/39/1082689539.db2.gz KDRPPHXYVCSQCW-HBENPWNXSA-N 1 3 313.873 2.265 20 0 DEADHO CC[C@H]([NH2+]C/C=C/CNC(=O)CN1CCCC1)c1ccccc1 ZINC001483093679 1082703659 /nfs/dbraw/zinc/70/36/59/1082703659.db2.gz SJZXFJOCZMKNMZ-DKFQHHCZSA-N 1 3 315.461 2.496 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]CC[C@H]1CCCC1(F)F)N(C)C ZINC001483140604 1082771827 /nfs/dbraw/zinc/77/18/27/1082771827.db2.gz OHKCIGXZTPTNAO-MGPQQGTHSA-N 1 3 319.440 2.246 20 0 DEADHO CC(C)[C@H](CCN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CCC1CC1 ZINC001409771152 1083049646 /nfs/dbraw/zinc/04/96/46/1083049646.db2.gz MCEVNTJHWPLCHE-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO COc1cccc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)c1 ZINC001413133595 1083383586 /nfs/dbraw/zinc/38/35/86/1083383586.db2.gz NGPZUSSWWZSUTP-ZWKOTPCHSA-N 1 3 304.434 2.163 20 0 DEADHO CN1CCN(CC2(C)CC[NH+](C[C@@]3(C)CCCCO3)CC2)CC1 ZINC001413202337 1083432526 /nfs/dbraw/zinc/43/25/26/1083432526.db2.gz SLFMNTBGISVXTO-LJQANCHMSA-N 1 3 323.525 2.295 20 0 DEADHO CC/C=C\CC[NH+]1CC([C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001276454243 1083444794 /nfs/dbraw/zinc/44/47/94/1083444794.db2.gz UZEMSXBIXODNFT-CAUIONCQSA-N 1 3 309.498 2.365 20 0 DEADHO Cc1scnc1CN1CCC[C@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001276598992 1083507666 /nfs/dbraw/zinc/50/76/66/1083507666.db2.gz KQCMNERVDKVTGD-QGZVFWFLSA-N 1 3 322.522 2.301 20 0 DEADHO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2Cc1ccc2cccnc2c1 ZINC001276833495 1083637018 /nfs/dbraw/zinc/63/70/18/1083637018.db2.gz OLOSQSSWVIBPMR-KDURUIRLSA-N 1 3 324.472 2.445 20 0 DEADHO CCCN(C)CC(=O)N1CCC([NH2+]CC2=CCCCC2)CC1 ZINC001203456408 1083646243 /nfs/dbraw/zinc/64/62/43/1083646243.db2.gz XCTZBUKGDRFRPK-UHFFFAOYSA-N 1 3 307.482 2.409 20 0 DEADHO C[NH2+][C@@]12CC[C@@](NCc3ccc(-n4cncn4)cc3)(C1)CCC2 ZINC001276869271 1083654731 /nfs/dbraw/zinc/65/47/31/1083654731.db2.gz CCDJEBMWUCGNMD-ZWKOTPCHSA-N 1 3 311.433 2.422 20 0 DEADHO CC(C)(C(=O)N[C@H]1C[C@H](C[NH2+]CCCF)C1)N1CCCCC1 ZINC001276983339 1083717599 /nfs/dbraw/zinc/71/75/99/1083717599.db2.gz JUFLVWYISBDJNF-SHTZXODSSA-N 1 3 313.461 2.095 20 0 DEADHO CCC[NH2+]CCC[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001277299506 1083901549 /nfs/dbraw/zinc/90/15/49/1083901549.db2.gz USIMEHLCTYEOPJ-WMLDXEAASA-N 1 3 315.477 2.483 20 0 DEADHO Cc1ccc(NC(=S)NCCC[NH2+]CCCN)cc1Cl ZINC001239396418 1083921750 /nfs/dbraw/zinc/92/17/50/1083921750.db2.gz GSBSWNGIWIVJHL-UHFFFAOYSA-N 1 3 314.886 2.263 20 0 DEADHO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)c2cc3c(s2)CNCC3)C1 ZINC001649049107 1084041979 /nfs/dbraw/zinc/04/19/79/1084041979.db2.gz VJYBRZCWCOCQPC-QGZVFWFLSA-N 1 3 321.490 2.231 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001491073896 1084055902 /nfs/dbraw/zinc/05/59/02/1084055902.db2.gz XTGTXXTXHALYDN-MCIONIFRSA-N 1 3 317.424 2.000 20 0 DEADHO CC(C)CC[C@@H](N)C(=O)N1C[C@H](CC[NH3+])Cc2ccccc21 ZINC001649102453 1084118398 /nfs/dbraw/zinc/11/83/98/1084118398.db2.gz DZXPUZCZSHEUDQ-GDBMZVCRSA-N 1 3 303.450 2.304 20 0 DEADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CCc1cccs1 ZINC001491546611 1084407841 /nfs/dbraw/zinc/40/78/41/1084407841.db2.gz GXIXSKQGOOJJGO-AWEZNQCLSA-N 1 3 323.506 2.259 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCCC1)N(C)C ZINC001235589611 1084473396 /nfs/dbraw/zinc/47/33/96/1084473396.db2.gz UDCBNMTWIJTMSV-SJORKVTESA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCC1)N(C)C ZINC001235589611 1084473404 /nfs/dbraw/zinc/47/34/04/1084473404.db2.gz UDCBNMTWIJTMSV-SJORKVTESA-N 1 3 309.498 2.296 20 0 DEADHO C[NH2+]CCCN1CCN[C@H](c2cccc(Br)c2)C1 ZINC001235796083 1084530474 /nfs/dbraw/zinc/53/04/74/1084530474.db2.gz QEVFHVXQBJEVCF-AWEZNQCLSA-N 1 3 312.255 2.005 20 0 DEADHO c1ccc([C@H]2CN(C[C@@H]3Cc4ccccc4C[NH2+]3)CCN2)cc1 ZINC001235858971 1084551340 /nfs/dbraw/zinc/55/13/40/1084551340.db2.gz KMNVVMNTGZADOR-VQTJNVASSA-N 1 3 307.441 2.347 20 0 DEADHO CCSc1ccccc1CN1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001236078515 1084606607 /nfs/dbraw/zinc/60/66/07/1084606607.db2.gz IJTRDUSZIKGDGN-MRXNPFEDSA-N 1 3 305.491 2.406 20 0 DEADHO C[C@@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)NCCF ZINC001485914299 1084979153 /nfs/dbraw/zinc/97/91/53/1084979153.db2.gz XXLSBQFCPHKOAE-HOCLYGCPSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H](CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)NCCF ZINC001485914299 1084979161 /nfs/dbraw/zinc/97/91/61/1084979161.db2.gz XXLSBQFCPHKOAE-HOCLYGCPSA-N 1 3 313.461 2.190 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CC(C)(C)C1 ZINC000960484617 1085308753 /nfs/dbraw/zinc/30/87/53/1085308753.db2.gz AHATXULBGOJQEH-DLBZAZTESA-N 1 3 321.509 2.440 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC(C)(C)C1 ZINC000960484617 1085308758 /nfs/dbraw/zinc/30/87/58/1085308758.db2.gz AHATXULBGOJQEH-DLBZAZTESA-N 1 3 321.509 2.440 20 0 DEADHO CC[NH+]1CCC(C2(NC(=O)CN3[C@H](C)CC[C@H]3C)CC2)CC1 ZINC001486489883 1085368714 /nfs/dbraw/zinc/36/87/14/1085368714.db2.gz AMYGPILEVGAQOE-HUUCEWRRSA-N 1 3 307.482 2.240 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCC1)C1CC1 ZINC000960679588 1085411652 /nfs/dbraw/zinc/41/16/52/1085411652.db2.gz JFVJZXPYMSIWRC-IRXDYDNUSA-N 1 3 307.482 2.050 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC1)C1CC1 ZINC000960679588 1085411657 /nfs/dbraw/zinc/41/16/57/1085411657.db2.gz JFVJZXPYMSIWRC-IRXDYDNUSA-N 1 3 307.482 2.050 20 0 DEADHO C[N@H+](CC1CC(C)(C)C1)C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC000960907003 1085502680 /nfs/dbraw/zinc/50/26/80/1085502680.db2.gz DXVDANAATXHCGP-MRXNPFEDSA-N 1 3 318.465 2.311 20 0 DEADHO C[N@@H+](CC1CC(C)(C)C1)C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC000960907003 1085502686 /nfs/dbraw/zinc/50/26/86/1085502686.db2.gz DXVDANAATXHCGP-MRXNPFEDSA-N 1 3 318.465 2.311 20 0 DEADHO CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961178271 1085626750 /nfs/dbraw/zinc/62/67/50/1085626750.db2.gz CIVVHHHENOEZGA-IRXDYDNUSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961178271 1085626756 /nfs/dbraw/zinc/62/67/56/1085626756.db2.gz CIVVHHHENOEZGA-IRXDYDNUSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961182304 1085627711 /nfs/dbraw/zinc/62/77/11/1085627711.db2.gz LBGYJNADXBXVCA-IAGOWNOFSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961182304 1085627717 /nfs/dbraw/zinc/62/77/17/1085627717.db2.gz LBGYJNADXBXVCA-IAGOWNOFSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000961414460 1085725527 /nfs/dbraw/zinc/72/55/27/1085725527.db2.gz JWAHDIXZJVDFMF-INIZCTEOSA-N 1 3 318.465 2.311 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000961414460 1085725537 /nfs/dbraw/zinc/72/55/37/1085725537.db2.gz JWAHDIXZJVDFMF-INIZCTEOSA-N 1 3 318.465 2.311 20 0 DEADHO [NH3+]CCc1nc(-c2ccccc2)nn1-c1c[nH]cc2ccnc1-2 ZINC001168713766 1085846043 /nfs/dbraw/zinc/84/60/43/1085846043.db2.gz JINBRKPTGFDXPT-UHFFFAOYSA-N 1 3 304.357 2.312 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(C)C)C[C@H]21 ZINC000962268064 1086045367 /nfs/dbraw/zinc/04/53/67/1086045367.db2.gz CUYVHUBYEIVPLS-XWTMOSNGSA-N 1 3 321.509 2.343 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(C)C)C[C@H]21 ZINC000962268064 1086045379 /nfs/dbraw/zinc/04/53/79/1086045379.db2.gz CUYVHUBYEIVPLS-XWTMOSNGSA-N 1 3 321.509 2.343 20 0 DEADHO CC1(C)CCN(CC(=O)NC2CC(C[NH2+]CC3CCCC3)C2)C1 ZINC000962310864 1086062930 /nfs/dbraw/zinc/06/29/30/1086062930.db2.gz BTSHZQXVJZJGHJ-UHFFFAOYSA-N 1 3 321.509 2.393 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963366108 1086428379 /nfs/dbraw/zinc/42/83/79/1086428379.db2.gz JHIDKNXOFWSWSS-ZBFHGGJFSA-N 1 3 304.438 2.065 20 0 DEADHO CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963366108 1086428385 /nfs/dbraw/zinc/42/83/85/1086428385.db2.gz JHIDKNXOFWSWSS-ZBFHGGJFSA-N 1 3 304.438 2.065 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1cccc(C(C)C)n1 ZINC001168755689 1086508284 /nfs/dbraw/zinc/50/82/84/1086508284.db2.gz PPGQJMPFXZUTKO-UHFFFAOYSA-N 1 3 320.481 2.143 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CC[NH2+]CCC1CCCC1 ZINC001273148542 1087011375 /nfs/dbraw/zinc/01/13/75/1087011375.db2.gz BEXBXTUGQRBSJD-ZDUSSCGKSA-N 1 3 306.454 2.325 20 0 DEADHO CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CN(CC2CCCCCC2)C1 ZINC000957386283 1088245973 /nfs/dbraw/zinc/24/59/73/1088245973.db2.gz WGJSBJPVOKOWCK-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(CC2CCCCCC2)C1 ZINC000957386283 1088245990 /nfs/dbraw/zinc/24/59/90/1088245990.db2.gz WGJSBJPVOKOWCK-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC001079850826 1088475441 /nfs/dbraw/zinc/47/54/41/1088475441.db2.gz SKFPEDRMFNMFCS-DJIMGWMZSA-N 1 3 307.482 2.240 20 0 DEADHO CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC001079850826 1088475444 /nfs/dbraw/zinc/47/54/44/1088475444.db2.gz SKFPEDRMFNMFCS-DJIMGWMZSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C ZINC001080021696 1088564818 /nfs/dbraw/zinc/56/48/18/1088564818.db2.gz MSHHLRTVMVGPEO-KBAYOESNSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C ZINC001080021696 1088564827 /nfs/dbraw/zinc/56/48/27/1088564827.db2.gz MSHHLRTVMVGPEO-KBAYOESNSA-N 1 3 321.509 2.343 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](CCCC(C)(C)C)C[C@H]32)C1 ZINC001114832447 1088933619 /nfs/dbraw/zinc/93/36/19/1088933619.db2.gz RMCQIENMQXJTPJ-CBZIJGRNSA-N 1 3 321.509 2.201 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCCC(C)(C)C)C[C@H]32)C1 ZINC001114832447 1088933635 /nfs/dbraw/zinc/93/36/35/1088933635.db2.gz RMCQIENMQXJTPJ-CBZIJGRNSA-N 1 3 321.509 2.201 20 0 DEADHO C[NH+](C)CCN1CC[C@]2(C1)CCCN(Cc1cncc(F)c1)C2 ZINC001276341642 1089105753 /nfs/dbraw/zinc/10/57/53/1089105753.db2.gz QEXCWDGOIHEKBL-SFHVURJKSA-N 1 3 320.456 2.070 20 0 DEADHO CCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CC(C)(C)C ZINC001114849040 1089147420 /nfs/dbraw/zinc/14/74/20/1089147420.db2.gz JTOPDNKSEJGKQZ-QLPKVWCKSA-N 1 3 309.498 2.201 20 0 DEADHO CCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CC(C)(C)C ZINC001114849040 1089147427 /nfs/dbraw/zinc/14/74/27/1089147427.db2.gz JTOPDNKSEJGKQZ-QLPKVWCKSA-N 1 3 309.498 2.201 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(C)C ZINC000959848734 1089790379 /nfs/dbraw/zinc/79/03/79/1089790379.db2.gz KVCJHDHKLFNDKQ-XWTMOSNGSA-N 1 3 321.509 2.342 20 0 DEADHO CCC(CC)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(C)C ZINC000959848734 1089790394 /nfs/dbraw/zinc/79/03/94/1089790394.db2.gz KVCJHDHKLFNDKQ-XWTMOSNGSA-N 1 3 321.509 2.342 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC000960130499 1089976690 /nfs/dbraw/zinc/97/66/90/1089976690.db2.gz JAHJADXTYMYJOL-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC3CCC3)C[C@@H]2C1 ZINC001410185828 1090396324 /nfs/dbraw/zinc/39/63/24/1090396324.db2.gz NVIXNPQFVREUOF-OKZBNKHCSA-N 1 3 321.509 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC3CCC3)C[C@@H]2C1 ZINC001410185828 1090396331 /nfs/dbraw/zinc/39/63/31/1090396331.db2.gz NVIXNPQFVREUOF-OKZBNKHCSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001084701901 1090402953 /nfs/dbraw/zinc/40/29/53/1090402953.db2.gz XAPMBKMLJXLUSF-FGTMMUONSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001084701901 1090402955 /nfs/dbraw/zinc/40/29/55/1090402955.db2.gz XAPMBKMLJXLUSF-FGTMMUONSA-N 1 3 321.509 2.438 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]21 ZINC001084964744 1090550871 /nfs/dbraw/zinc/55/08/71/1090550871.db2.gz NWWSLVGPOBDMDI-IKGGRYGDSA-N 1 3 309.498 2.296 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]21 ZINC001084964744 1090550872 /nfs/dbraw/zinc/55/08/72/1090550872.db2.gz NWWSLVGPOBDMDI-IKGGRYGDSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@H+](CC3CCC3)[C@H]2C1)N(C)C ZINC001085025197 1090600167 /nfs/dbraw/zinc/60/01/67/1090600167.db2.gz JURFHYFSCFMVKD-FGTMMUONSA-N 1 3 321.509 2.296 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CC3CCC3)[C@H]2C1)N(C)C ZINC001085025197 1090600170 /nfs/dbraw/zinc/60/01/70/1090600170.db2.gz JURFHYFSCFMVKD-FGTMMUONSA-N 1 3 321.509 2.296 20 0 DEADHO C[C@@H]([NH2+]C/C=C\CNC(=O)CN1CC[C@@H](C)C1)c1ccccc1 ZINC001274370617 1091210731 /nfs/dbraw/zinc/21/07/31/1091210731.db2.gz URJMCEYUKMSVLE-TZNMXKOXSA-N 1 3 315.461 2.351 20 0 DEADHO O=C(CC[NH+]1CCCCC1)NC/C=C/CNCc1ccsc1 ZINC001274608418 1091322383 /nfs/dbraw/zinc/32/23/83/1091322383.db2.gz FUMIJQKVQGUBJO-NSCUHMNNSA-N 1 3 321.490 2.386 20 0 DEADHO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)CN1CC[C@H](C)C1 ZINC001412494445 1091454765 /nfs/dbraw/zinc/45/47/65/1091454765.db2.gz BCXSHKRBFZKOKT-INIZCTEOSA-N 1 3 309.498 2.155 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001274887026 1091458004 /nfs/dbraw/zinc/45/80/04/1091458004.db2.gz WKUFMYNHEJGHDH-IBGZPJMESA-N 1 3 315.461 2.306 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001274887026 1091458009 /nfs/dbraw/zinc/45/80/09/1091458009.db2.gz WKUFMYNHEJGHDH-IBGZPJMESA-N 1 3 315.461 2.306 20 0 DEADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](CC3CCCCC3)C[C@H]2CC1 ZINC001275039346 1091526235 /nfs/dbraw/zinc/52/62/35/1091526235.db2.gz NXOWLWXZIHGFCL-HDICACEKSA-N 1 3 321.509 2.299 20 0 DEADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](CC3CCCCC3)C[C@H]2CC1 ZINC001275039346 1091526244 /nfs/dbraw/zinc/52/62/44/1091526244.db2.gz NXOWLWXZIHGFCL-HDICACEKSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)=CCC[C@@H](C)CN1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001275058478 1091535487 /nfs/dbraw/zinc/53/54/87/1091535487.db2.gz UCTBSKGUOGTMPJ-QRVBRYPASA-N 1 3 323.525 2.316 20 0 DEADHO COCCOC[NH2+][C@@]12CC[C@@](NCc3cccn3C)(C1)CCC2 ZINC001275233440 1091628004 /nfs/dbraw/zinc/62/80/04/1091628004.db2.gz AFZQJFXRUYWCSD-MSOLQXFVSA-N 1 3 321.465 2.170 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCC[C@H](N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000948811954 1091951166 /nfs/dbraw/zinc/95/11/66/1091951166.db2.gz CIYLBDUPTBDOJK-ZBFHGGJFSA-N 1 3 306.454 2.311 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCC[C@H](N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000948811954 1091951173 /nfs/dbraw/zinc/95/11/73/1091951173.db2.gz CIYLBDUPTBDOJK-ZBFHGGJFSA-N 1 3 306.454 2.311 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCC(C)(C)C)C1)C1CC1 ZINC001190653129 1091951366 /nfs/dbraw/zinc/95/13/66/1091951366.db2.gz CEHMJIPXNCDLNZ-CVEARBPZSA-N 1 3 309.498 2.296 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCC(C)(C)C)C1)C1CC1 ZINC001190653129 1091951376 /nfs/dbraw/zinc/95/13/76/1091951376.db2.gz CEHMJIPXNCDLNZ-CVEARBPZSA-N 1 3 309.498 2.296 20 0 DEADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CCCN1C1CCCC1 ZINC001411640219 1091952387 /nfs/dbraw/zinc/95/23/87/1091952387.db2.gz BMNZOUMPVMTQNM-ZACQAIPSSA-N 1 3 305.466 2.136 20 0 DEADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1CCCN1C1CCCC1 ZINC001411640219 1091952394 /nfs/dbraw/zinc/95/23/94/1091952394.db2.gz BMNZOUMPVMTQNM-ZACQAIPSSA-N 1 3 305.466 2.136 20 0 DEADHO CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCCCN1C ZINC000948932405 1092004826 /nfs/dbraw/zinc/00/48/26/1092004826.db2.gz IZCAVBNVHGDVGO-ROUUACIJSA-N 1 3 315.461 2.206 20 0 DEADHO CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCCCN1C ZINC000948932405 1092004837 /nfs/dbraw/zinc/00/48/37/1092004837.db2.gz IZCAVBNVHGDVGO-ROUUACIJSA-N 1 3 315.461 2.206 20 0 DEADHO CN(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cccc(O)c1)C2 ZINC001275815884 1092173824 /nfs/dbraw/zinc/17/38/24/1092173824.db2.gz KWRDBPLIIZGPEA-LJQANCHMSA-N 1 3 317.477 2.242 20 0 DEADHO CN(C)CC[N@H+]1CC[C@@]2(C1)CCCN(Cc1cccc(O)c1)C2 ZINC001275815884 1092173828 /nfs/dbraw/zinc/17/38/28/1092173828.db2.gz KWRDBPLIIZGPEA-LJQANCHMSA-N 1 3 317.477 2.242 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001488875942 1092818543 /nfs/dbraw/zinc/81/85/43/1092818543.db2.gz DPNDBTPJZQACCY-CTYIDZIISA-N 1 3 318.465 2.181 20 0 DEADHO CCC[N@@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001489341737 1093027066 /nfs/dbraw/zinc/02/70/66/1093027066.db2.gz IWSPITGBSNFVFE-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001489341737 1093027074 /nfs/dbraw/zinc/02/70/74/1093027074.db2.gz IWSPITGBSNFVFE-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N1CCCC[C@]12CCC[NH2+]C2 ZINC001649168310 1093735747 /nfs/dbraw/zinc/73/57/47/1093735747.db2.gz VGCQSRLDQJZOCS-PKOBYXMFSA-N 1 3 313.445 2.356 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2ccccc2F)[C@@H]1C ZINC001369391463 1148923656 /nfs/dbraw/zinc/92/36/56/1148923656.db2.gz MVNLAIMZGMUJCM-WMLDXEAASA-N 1 3 321.440 2.247 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2ccccc2F)[C@@H]1C ZINC001369391463 1148923664 /nfs/dbraw/zinc/92/36/64/1148923664.db2.gz MVNLAIMZGMUJCM-WMLDXEAASA-N 1 3 321.440 2.247 20 0 DEADHO CC(C)[C@H](C(=O)NCC1([NH2+]CC2CCCCC2)CC1)N(C)C ZINC001420996566 1171413591 /nfs/dbraw/zinc/41/35/91/1171413591.db2.gz YANKTKORNCRHFR-MRXNPFEDSA-N 1 3 309.498 2.391 20 0 DEADHO CN(C)C1(C(=O)NCC2C[NH+](CCC3CCCC3)C2)CCC1 ZINC001421145141 1171528316 /nfs/dbraw/zinc/52/83/16/1171528316.db2.gz GSBUOZGLCAXIDC-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO Cn1c(Br)ccc1CN1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236322030 1138352412 /nfs/dbraw/zinc/35/24/12/1138352412.db2.gz SMOPVQDBLQIVCU-TXEJJXNPSA-N 1 3 312.255 2.219 20 0 DEADHO Nc1ccc(CN(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)cn1 ZINC001236562660 1138376543 /nfs/dbraw/zinc/37/65/43/1138376543.db2.gz PAVJPTGKMAPYGL-QAQDUYKDSA-N 1 3 311.433 2.331 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1F ZINC001368895387 1148753493 /nfs/dbraw/zinc/75/34/93/1148753493.db2.gz ORZKWFOWLAKTRA-KGLIPLIRSA-N 1 3 309.429 2.149 20 0 DEADHO N[C@H]1NC(CN(Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)=CS1 ZINC001236681641 1138393690 /nfs/dbraw/zinc/39/36/90/1138393690.db2.gz HUNOGNZUFURLFV-XIRDDKMYSA-N 1 3 318.490 2.179 20 0 DEADHO Cc1cccc(NC(=S)NC[C@H]2CCC3(CCNCC3)[NH2+]2)c1 ZINC001239364228 1139029400 /nfs/dbraw/zinc/02/94/00/1139029400.db2.gz UJCLTVOMOLETCJ-OAHLLOKOSA-N 1 3 318.490 2.156 20 0 DEADHO CN1CC=C(c2ccccc2NC(=O)NC2CC[NH2+]CC2)CC1 ZINC001241329830 1139787151 /nfs/dbraw/zinc/78/71/51/1139787151.db2.gz AHRFWVWJAGDRNG-UHFFFAOYSA-N 1 3 314.433 2.279 20 0 DEADHO C[NH+](C)CCCNC(=O)c1ccc(-c2nccc3c2CCN3)cc1 ZINC001241778846 1139852665 /nfs/dbraw/zinc/85/26/65/1139852665.db2.gz OUSUIKGJADZKPE-UHFFFAOYSA-N 1 3 324.428 2.398 20 0 DEADHO CN1CCCC[C@H](C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC001336015536 1140038941 /nfs/dbraw/zinc/03/89/41/1140038941.db2.gz DJWMZXOZWZJBIN-GHMZBOCLSA-N 1 3 318.330 2.257 20 0 DEADHO CC(C)N1CCN(Cc2ccc(C3=CC[NH2+]C3)c(F)c2)CC1 ZINC001243114305 1140077699 /nfs/dbraw/zinc/07/76/99/1140077699.db2.gz AHKOWDYCGROTJZ-UHFFFAOYSA-N 1 3 303.425 2.338 20 0 DEADHO COCCN(C)Cc1ccnc(-c2cccc(OCC[NH3+])c2)c1 ZINC001244323379 1140339019 /nfs/dbraw/zinc/33/90/19/1140339019.db2.gz HCSRROXPQXVVDL-UHFFFAOYSA-N 1 3 315.417 2.164 20 0 DEADHO CC(C)=CC[NH2+]CC[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001318839509 1140432123 /nfs/dbraw/zinc/43/21/23/1140432123.db2.gz YUKOQOFPNDOBTK-HNNXBMFYSA-N 1 3 304.438 2.137 20 0 DEADHO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@@H]2CN3CCC2CC3)C1 ZINC001474734658 1140501817 /nfs/dbraw/zinc/50/18/17/1140501817.db2.gz BSCWRGAKKCQENJ-BMFZPTHFSA-N 1 3 323.481 2.221 20 0 DEADHO c1cc(-c2ncc3c(n2)CNCC3)ccc1COC1CC[NH2+]CC1 ZINC001245402600 1140643669 /nfs/dbraw/zinc/64/36/69/1140643669.db2.gz NCGWVYVRIYWWKR-UHFFFAOYSA-N 1 3 324.428 2.058 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@@H]2CC[NH2+]CC2CC2)C1 ZINC001319775625 1140711117 /nfs/dbraw/zinc/71/11/17/1140711117.db2.gz WVOLLTRLNDQCRK-NVXWUHKLSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@@H]1CNC[C@@H](O)COc1ccc(Cl)cc1 ZINC001245980397 1140841037 /nfs/dbraw/zinc/84/10/37/1140841037.db2.gz DFSUYWDBSHAGJG-GZBFAFLISA-N 1 3 312.841 2.057 20 0 DEADHO CC(C)c1ccc(OC[C@@H](O)CNC[C@H]2CCC[NH2+]C2)cc1 ZINC001245983682 1140841293 /nfs/dbraw/zinc/84/12/93/1140841293.db2.gz UEOXICAPJCOGQO-RDJZCZTQSA-N 1 3 306.450 2.139 20 0 DEADHO CCCC[C@H](CC)COC[C@H](O)CNC[C@@H]1C[NH2+]CC[C@H]1C ZINC001245981510 1140841488 /nfs/dbraw/zinc/84/14/88/1140841488.db2.gz HOBXHFUKJYZFEM-VSZNYVQBSA-N 1 3 314.514 2.416 20 0 DEADHO CCCCOC[C@H](O)CN1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246032288 1140850843 /nfs/dbraw/zinc/85/08/43/1140850843.db2.gz RWNOVUMPATYZPW-QZTJIDSGSA-N 1 3 312.498 2.410 20 0 DEADHO C[C@H]1C[N@H+](C[C@]2(O)CCCNC2)CCc2ccc(Cl)cc21 ZINC001246050511 1140853493 /nfs/dbraw/zinc/85/34/93/1140853493.db2.gz XQIBFNGGXWZFND-GUYCJALGSA-N 1 3 308.853 2.416 20 0 DEADHO C[C@H]1C[N@@H+](C[C@]2(O)CCCNC2)CCc2ccc(Cl)cc21 ZINC001246050511 1140853498 /nfs/dbraw/zinc/85/34/98/1140853498.db2.gz XQIBFNGGXWZFND-GUYCJALGSA-N 1 3 308.853 2.416 20 0 DEADHO NC1(C[NH2+][C@H]2CCN(Cc3ccccc3)C(=O)C2)CCCC1 ZINC001246076231 1140858055 /nfs/dbraw/zinc/85/80/55/1140858055.db2.gz NWXSNBKAQZQUQL-INIZCTEOSA-N 1 3 301.434 2.039 20 0 DEADHO Cc1cc(F)ccc1[C@@H]1C[C@@H](N[C@H]2CCNC[C@@H]2F)CC[NH2+]1 ZINC001246108132 1140862280 /nfs/dbraw/zinc/86/22/80/1140862280.db2.gz HWHIFQVVOPIENA-HJWJTTGWSA-N 1 3 309.404 2.217 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)CCN1 ZINC001246167184 1140869389 /nfs/dbraw/zinc/86/93/89/1140869389.db2.gz DIQQBMXDHKXGLL-PBHICJAKSA-N 1 3 301.434 2.021 20 0 DEADHO C[C@H]1C[C@H]([NH2+]C2CCN(C(=O)Nc3ccccc3)CC2)CCN1 ZINC001246240616 1140876393 /nfs/dbraw/zinc/87/63/93/1140876393.db2.gz RCBMEAZSFZXNJR-WMLDXEAASA-N 1 3 316.449 2.413 20 0 DEADHO C[C@@H]1C[C@@H](N[C@H]2CCCN(C(=O)c3ccccc3)C2)CC[NH2+]1 ZINC001246239001 1140876448 /nfs/dbraw/zinc/87/64/48/1140876448.db2.gz BRMBXXNGOVJNCU-PVAVHDDUSA-N 1 3 301.434 2.021 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001320605714 1140885337 /nfs/dbraw/zinc/88/53/37/1140885337.db2.gz DKZLSCLQMUPAHW-YOEHRIQHSA-N 1 3 323.456 2.459 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)C3CCCCC3)CC2)CCN1 ZINC001246352468 1140886825 /nfs/dbraw/zinc/88/68/25/1140886825.db2.gz RSNOWPOKOCPPBR-PBHICJAKSA-N 1 3 307.482 2.288 20 0 DEADHO C[C@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(O)cc3)CC2)CN1 ZINC001246357594 1140887307 /nfs/dbraw/zinc/88/73/07/1140887307.db2.gz BPQNAMNXEVWUBW-WMLDXEAASA-N 1 3 303.450 2.087 20 0 DEADHO COc1ccc(F)cc1CN1CCC(N[C@@H]2CCC[NH2+]C2)CC1 ZINC001246359452 1140888409 /nfs/dbraw/zinc/88/84/09/1140888409.db2.gz OQHNGORANPZKGR-QGZVFWFLSA-N 1 3 321.440 2.140 20 0 DEADHO c1cc(CC2(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCOCC2)ccn1 ZINC001246373165 1140890032 /nfs/dbraw/zinc/89/00/32/1140890032.db2.gz IOVVZDBXLVQPOF-SJPCQFCGSA-N 1 3 301.434 2.046 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC2(Cc3cccnc3)CCOCC2)CCN1 ZINC001246376324 1140890188 /nfs/dbraw/zinc/89/01/88/1140890188.db2.gz UIGLZQABKPTIDW-NVXWUHKLSA-N 1 3 303.450 2.151 20 0 DEADHO COc1cccc(C2(C[NH2+]C3CCNCC3)CCOCC2)c1 ZINC001246377040 1140890982 /nfs/dbraw/zinc/89/09/82/1140890982.db2.gz ZIAQZVLLXRFOSG-UHFFFAOYSA-N 1 3 304.434 2.085 20 0 DEADHO Cc1ccnc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCOCC2)c1 ZINC001246394383 1140893456 /nfs/dbraw/zinc/89/34/56/1140893456.db2.gz ZRHIGUSPVNWOSW-SJPCQFCGSA-N 1 3 315.461 2.311 20 0 DEADHO C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](NC(=O)C3CCCC3)CC2)CCN1 ZINC001246404541 1140894703 /nfs/dbraw/zinc/89/47/03/1140894703.db2.gz OHNRTEQXQXMPPX-QSPRXWTASA-N 1 3 307.482 2.334 20 0 DEADHO COc1ccc(CCN(C[C@H](C)O)[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC001246531362 1140938168 /nfs/dbraw/zinc/93/81/68/1140938168.db2.gz FBANCUVHFFRYFC-YQQAZPJKSA-N 1 3 306.450 2.061 20 0 DEADHO COc1ccc(CC[N@H+](C[C@H](C)O)[C@@H]2CCN[C@@H](C)C2)cc1 ZINC001246531362 1140938177 /nfs/dbraw/zinc/93/81/77/1140938177.db2.gz FBANCUVHFFRYFC-YQQAZPJKSA-N 1 3 306.450 2.061 20 0 DEADHO COc1ccc(CC[N@@H+](C[C@H](C)O)[C@@H]2CCN[C@@H](C)C2)cc1 ZINC001246531362 1140938188 /nfs/dbraw/zinc/93/81/88/1140938188.db2.gz FBANCUVHFFRYFC-YQQAZPJKSA-N 1 3 306.450 2.061 20 0 DEADHO CCN(CC[NH2+]CC1CC1)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001320840906 1140948128 /nfs/dbraw/zinc/94/81/28/1140948128.db2.gz MXGZNIYOPJPBFL-QGZVFWFLSA-N 1 3 313.461 2.047 20 0 DEADHO Cc1ccc2c(c1)C[C@H](N1CC[NH2+]C[C@@]3(CCCCN3)C1)CC2 ZINC001246637101 1141016944 /nfs/dbraw/zinc/01/69/44/1141016944.db2.gz XTUPRVVIPYBBKT-UXHICEINSA-N 1 3 313.489 2.270 20 0 DEADHO Cc1cc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCCN2C)c(C)s1 ZINC001320997180 1141023339 /nfs/dbraw/zinc/02/33/39/1141023339.db2.gz HYUKLSFXIKBIMA-AWFCHZOYSA-N 1 3 321.490 2.221 20 0 DEADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@]3(CCN(c4ccsc4)C3=O)C2)CCN1 ZINC001246712572 1141041607 /nfs/dbraw/zinc/04/16/07/1141041607.db2.gz BLOMOEJAWPNHAI-CPUCHLNUSA-N 1 3 319.474 2.317 20 0 DEADHO C[C@@H]1C[C@H]([N@H+]2CC[C@]3(CCN(c4ccsc4)C3=O)C2)CCN1 ZINC001246712572 1141041617 /nfs/dbraw/zinc/04/16/17/1141041617.db2.gz BLOMOEJAWPNHAI-CPUCHLNUSA-N 1 3 319.474 2.317 20 0 DEADHO C[C@@H]1C[C@H](N2CC[C@]3(CC(=O)N(c4ccsc4)C3)C2)CC[NH2+]1 ZINC001246761475 1141054060 /nfs/dbraw/zinc/05/40/60/1141054060.db2.gz SWFVKXNVGZDWLL-CPUCHLNUSA-N 1 3 319.474 2.317 20 0 DEADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@]3(CC(=O)N(c4ccsc4)C3)C2)CCN1 ZINC001246761475 1141054069 /nfs/dbraw/zinc/05/40/69/1141054069.db2.gz SWFVKXNVGZDWLL-CPUCHLNUSA-N 1 3 319.474 2.317 20 0 DEADHO C[C@@H]1C[C@H]([N@H+]2CC[C@]3(CC(=O)N(c4ccsc4)C3)C2)CCN1 ZINC001246761475 1141054081 /nfs/dbraw/zinc/05/40/81/1141054081.db2.gz SWFVKXNVGZDWLL-CPUCHLNUSA-N 1 3 319.474 2.317 20 0 DEADHO CCCC[C@@H]1C[C@H](N2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)CC[NH2+]1 ZINC001246775659 1141055546 /nfs/dbraw/zinc/05/55/46/1141055546.db2.gz RGDQFZYNUPBMEQ-UJWQCDCRSA-N 1 3 322.493 2.423 20 0 DEADHO C[C@H]1CC[C@@H](N(Cc2ccccc2)[C@@H]2CCNC[C@H]2F)C[NH2+]1 ZINC001246847771 1141084343 /nfs/dbraw/zinc/08/43/43/1141084343.db2.gz SCAULUCHVOUIMZ-DZOHQFGASA-N 1 3 305.441 2.329 20 0 DEADHO C[C@@H]1CC[C@H](N(Cc2ccccc2)[C@@H]2CCNC[C@H]2F)C[NH2+]1 ZINC001246847765 1141084616 /nfs/dbraw/zinc/08/46/16/1141084616.db2.gz SCAULUCHVOUIMZ-BZZMCLGOSA-N 1 3 305.441 2.329 20 0 DEADHO CCc1ccc(C[C@H](C)[N@@H+]2CC[C@H](N)[C@@H](C(=O)OC)C2)cc1 ZINC001246949519 1141172228 /nfs/dbraw/zinc/17/22/28/1141172228.db2.gz SRCRBBRVVJNNAP-JQFCIGGWSA-N 1 3 304.434 2.002 20 0 DEADHO CCc1ccc(C[C@H](C)[N@H+]2CC[C@H](N)[C@@H](C(=O)OC)C2)cc1 ZINC001246949519 1141172280 /nfs/dbraw/zinc/17/22/80/1141172280.db2.gz SRCRBBRVVJNNAP-JQFCIGGWSA-N 1 3 304.434 2.002 20 0 DEADHO COC(=O)[C@H]1CCN([C@H]2CC[NH2+][C@H](C)C2)[C@H]1c1ccccc1 ZINC001247003562 1141238859 /nfs/dbraw/zinc/23/88/59/1141238859.db2.gz WREXALDGGHVLQH-IWCQGFGOSA-N 1 3 302.418 2.363 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C[NH2+]CCC(F)(F)F)C1CC1)N(C)C ZINC001323061671 1141807202 /nfs/dbraw/zinc/80/72/02/1141807202.db2.gz DCXYJERBOLODMH-CHWSQXEVSA-N 1 3 323.403 2.009 20 0 DEADHO CC(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001278543160 1142050344 /nfs/dbraw/zinc/05/03/44/1142050344.db2.gz YPNGWGVSLRGQKA-AEFFLSMTSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC[C@H](C)F)CC1)N(C)C ZINC001421584112 1171858033 /nfs/dbraw/zinc/85/80/33/1171858033.db2.gz GFXVGHARFMWECM-VGWMRTNUSA-N 1 3 315.477 2.338 20 0 DEADHO CC1CCN(CCC[NH2+]C[C@@H](O)COCc2ccccc2)CC1 ZINC001252298743 1142677073 /nfs/dbraw/zinc/67/70/73/1142677073.db2.gz PHVOBLPDQMHXEE-LJQANCHMSA-N 1 3 320.477 2.276 20 0 DEADHO CC[NH+](CC)C[C@H](O)CNc1ccncc1Oc1ccccc1 ZINC001253178560 1142850309 /nfs/dbraw/zinc/85/03/09/1142850309.db2.gz IKNMRJAERHBOOE-OAHLLOKOSA-N 1 3 315.417 2.410 20 0 DEADHO CCN(CC)C[C@@H](O)C[NH2+][C@@H]1CSc2ccc(OC)cc2C1 ZINC001253216025 1142855404 /nfs/dbraw/zinc/85/54/04/1142855404.db2.gz FXBGAVUHDMIESX-GJZGRUSLSA-N 1 3 324.490 2.004 20 0 DEADHO CCC[NH+](CCC)CCN1CCN(C[C@H](O)C(C)(C)C)CC1 ZINC001253730175 1142900016 /nfs/dbraw/zinc/90/00/16/1142900016.db2.gz PYOICYXGJIWJLR-KRWDZBQOSA-N 1 3 313.530 2.133 20 0 DEADHO COC[C@H]1CCC[N@@H+]1CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254029133 1143027680 /nfs/dbraw/zinc/02/76/80/1143027680.db2.gz ARDQTBQEJULXRA-GOSISDBHSA-N 1 3 318.461 2.124 20 0 DEADHO COC[C@H]1CCC[N@H+]1CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254029133 1143027691 /nfs/dbraw/zinc/02/76/91/1143027691.db2.gz ARDQTBQEJULXRA-GOSISDBHSA-N 1 3 318.461 2.124 20 0 DEADHO OC1(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001254037512 1143028789 /nfs/dbraw/zinc/02/87/89/1143028789.db2.gz VWDOBDGFUSCZAL-BZSNNMDCSA-N 1 3 318.436 2.303 20 0 DEADHO CC(=O)N1CCC([NH2+]C2CCN(C[C@@H]3CC=CCC3)CC2)CC1 ZINC001254421997 1143111721 /nfs/dbraw/zinc/11/17/21/1143111721.db2.gz AVRQAVGIMQIFKR-QGZVFWFLSA-N 1 3 319.493 2.408 20 0 DEADHO CN1CCC[C@H]([NH2+]Cc2ccc(OC3CCOCC3)nc2)CC1 ZINC001254499794 1143142608 /nfs/dbraw/zinc/14/26/08/1143142608.db2.gz ATJLFZYILYTHRG-INIZCTEOSA-N 1 3 319.449 2.213 20 0 DEADHO CN1CCC[C@@H]([NH2+]Cc2ccc(OCC3(C)COC3)nc2)CC1 ZINC001254511308 1143160112 /nfs/dbraw/zinc/16/01/12/1143160112.db2.gz YSLNZIUQYOOQGP-MRXNPFEDSA-N 1 3 319.449 2.071 20 0 DEADHO COCCOc1ccc(C[NH2+][C@H]2CCCN(C)CC2)cc1F ZINC001254509871 1143163605 /nfs/dbraw/zinc/16/36/05/1143163605.db2.gz JPVWNVCFVMCCGL-HNNXBMFYSA-N 1 3 310.413 2.425 20 0 DEADHO CN1CCC[C@H]([N@@H+]2CCCN(Cc3ccncc3)CC2)CC1 ZINC001254516499 1143176076 /nfs/dbraw/zinc/17/60/76/1143176076.db2.gz NLZDFIUPWYEUKT-SFHVURJKSA-N 1 3 302.466 2.074 20 0 DEADHO CN1CCC[C@H]([N@H+]2CCCN(Cc3ccncc3)CC2)CC1 ZINC001254516499 1143176088 /nfs/dbraw/zinc/17/60/88/1143176088.db2.gz NLZDFIUPWYEUKT-SFHVURJKSA-N 1 3 302.466 2.074 20 0 DEADHO C[N@@H+]1CCC[C@@H](N2CCN(CCc3ccccc3)CC2)CC1 ZINC001254522867 1143204493 /nfs/dbraw/zinc/20/44/93/1143204493.db2.gz JZDKGJDZCSUTOD-LJQANCHMSA-N 1 3 301.478 2.331 20 0 DEADHO C[N@H+]1CCC[C@@H](N2CCN(CCc3ccccc3)CC2)CC1 ZINC001254522867 1143204518 /nfs/dbraw/zinc/20/45/18/1143204518.db2.gz JZDKGJDZCSUTOD-LJQANCHMSA-N 1 3 301.478 2.331 20 0 DEADHO CN([C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254522740 1143206809 /nfs/dbraw/zinc/20/68/09/1143206809.db2.gz JGIOSZGGMKCREB-CABCVRRESA-N 1 3 311.470 2.412 20 0 DEADHO CN([C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254522740 1143206847 /nfs/dbraw/zinc/20/68/47/1143206847.db2.gz JGIOSZGGMKCREB-CABCVRRESA-N 1 3 311.470 2.412 20 0 DEADHO [NH3+]Cc1ccccc1C(=O)NCCCN1CCc2ccccc2C1 ZINC001340166732 1143284538 /nfs/dbraw/zinc/28/45/38/1143284538.db2.gz CSZOYVSGZLMHQG-UHFFFAOYSA-N 1 3 323.440 2.324 20 0 DEADHO c1ccc2c(c1)CCN1CC[N@@H+]([C@H]3CC4CCN(CC4)C3)C[C@H]21 ZINC001254864852 1143346628 /nfs/dbraw/zinc/34/66/28/1143346628.db2.gz UHLILOZHRAOSLM-AZUAARDMSA-N 1 3 311.473 2.386 20 0 DEADHO c1ccc2c(c1)CCN1CC[N@H+]([C@H]3CC4CCN(CC4)C3)C[C@H]21 ZINC001254864852 1143346639 /nfs/dbraw/zinc/34/66/39/1143346639.db2.gz UHLILOZHRAOSLM-AZUAARDMSA-N 1 3 311.473 2.386 20 0 DEADHO O=C(C[NH2+][C@@H]1CCCN(Cc2ccccc2)CC1)NC1CCC1 ZINC001255392182 1143593724 /nfs/dbraw/zinc/59/37/24/1143593724.db2.gz YWNHEVLONQLDHL-QGZVFWFLSA-N 1 3 315.461 2.299 20 0 DEADHO C(O[C@@H]1CO[C@@]2(CCN(C3CC[NH+](C4CC4)CC3)C2)C1)C1CC1 ZINC001256077013 1143827693 /nfs/dbraw/zinc/82/76/93/1143827693.db2.gz KMHDFLBLGIFIRN-OALUTQOASA-N 1 3 320.477 2.273 20 0 DEADHO Cc1cnccc1O[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3C)C1 ZINC001256631546 1143858978 /nfs/dbraw/zinc/85/89/78/1143858978.db2.gz YLZBEZDCDPNLLA-FCLJQHQZSA-N 1 3 301.434 2.468 20 0 DEADHO Cc1cnccc1O[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)N3C)C1 ZINC001256631546 1143858979 /nfs/dbraw/zinc/85/89/79/1143858979.db2.gz YLZBEZDCDPNLLA-FCLJQHQZSA-N 1 3 301.434 2.468 20 0 DEADHO Cc1cnccc1O[C@@H]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001256631546 1143858980 /nfs/dbraw/zinc/85/89/80/1143858980.db2.gz YLZBEZDCDPNLLA-FCLJQHQZSA-N 1 3 301.434 2.468 20 0 DEADHO Cc1cnccc1O[C@@H]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001256631546 1143858981 /nfs/dbraw/zinc/85/89/81/1143858981.db2.gz YLZBEZDCDPNLLA-FCLJQHQZSA-N 1 3 301.434 2.468 20 0 DEADHO Clc1ccc(C[NH2+]C2CCC(N3CCOCC3)CC2)cn1 ZINC001256675894 1143861344 /nfs/dbraw/zinc/86/13/44/1143861344.db2.gz MIWQZPWWBUOBFF-UHFFFAOYSA-N 1 3 309.841 2.468 20 0 DEADHO [NH3+]CCN(c1ccc(F)cc1)C1CCC(N2CCOCC2)CC1 ZINC001256685784 1143862372 /nfs/dbraw/zinc/86/23/72/1143862372.db2.gz GWVLPPAOECRBKR-UHFFFAOYSA-N 1 3 321.440 2.234 20 0 DEADHO Cc1ccc([C@@H](CO)[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256686657 1143862472 /nfs/dbraw/zinc/86/24/72/1143862472.db2.gz AIZFNRYJKJSBCD-CTWPCTMYSA-N 1 3 318.461 2.261 20 0 DEADHO C[C@H](Cc1ccncc1)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001256731492 1143864706 /nfs/dbraw/zinc/86/47/06/1143864706.db2.gz IBYGNBMSBQPMFQ-KBAYOESNSA-N 1 3 303.450 2.246 20 0 DEADHO CC(C)[NH+]1CCC(N2CC[C@@]3(C2)c2ccccc2NC3=O)CC1 ZINC001257218009 1143894195 /nfs/dbraw/zinc/89/41/95/1143894195.db2.gz XIRUQEYAYLRQIN-LJQANCHMSA-N 1 3 313.445 2.455 20 0 DEADHO C[C@H](CN)C[NH2+]C1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001257754322 1143952726 /nfs/dbraw/zinc/95/27/26/1143952726.db2.gz OJGJEZJRYYLEIS-CYBMUJFWSA-N 1 3 311.470 2.351 20 0 DEADHO c1ccc(CC[NH+]2CCC(NCCN3CCCCO3)CC2)cc1 ZINC001258132624 1143976407 /nfs/dbraw/zinc/97/64/07/1143976407.db2.gz IEJNHDZKLZDDSU-UHFFFAOYSA-N 1 3 317.477 2.311 20 0 DEADHO CCC[NH+]1CCC(N[C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001258769306 1144039403 /nfs/dbraw/zinc/03/94/03/1144039403.db2.gz KTFOSUXDBZJOOA-ZDUSSCGKSA-N 1 3 321.387 2.004 20 0 DEADHO C[C@@H](CC[NH2+]C[C@@H](O)c1ccc(Br)cc1)N(C)C ZINC001262565589 1144319577 /nfs/dbraw/zinc/31/95/77/1144319577.db2.gz QHLDSWDHJSFSFF-SMDDNHRTSA-N 1 3 315.255 2.412 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1CNCCF)[NH+](CC)CC ZINC001264000623 1144439601 /nfs/dbraw/zinc/43/96/01/1144439601.db2.gz XXPVRDQFUGKMES-OWCLPIDISA-N 1 3 315.477 2.293 20 0 DEADHO C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001264545420 1144564024 /nfs/dbraw/zinc/56/40/24/1144564024.db2.gz NBYBVPGUOVEDKE-UTPJNDRASA-N 1 3 313.873 2.050 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001265493885 1144707179 /nfs/dbraw/zinc/70/71/79/1144707179.db2.gz GHWQSWSKUFJMRP-DJIMGWMZSA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)[C@H](C(=O)N1CCCC[C@H]1C[NH2+]C/C=C/Cl)N(C)C ZINC001265682322 1144726993 /nfs/dbraw/zinc/72/69/93/1144726993.db2.gz PRGWSIJUTOCFRX-LPXAQJHASA-N 1 3 315.889 2.296 20 0 DEADHO CCC/C=C\CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@H]2C1 ZINC001279410246 1144822099 /nfs/dbraw/zinc/82/20/99/1144822099.db2.gz UOVJCTUKVLYPNV-QBWLVQJASA-N 1 3 321.509 2.463 20 0 DEADHO CCC/C=C\CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@H]2C1 ZINC001279410246 1144822100 /nfs/dbraw/zinc/82/21/00/1144822100.db2.gz UOVJCTUKVLYPNV-QBWLVQJASA-N 1 3 321.509 2.463 20 0 DEADHO CC/C=C/CCN1CC[C@@H]1CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001316607308 1144862225 /nfs/dbraw/zinc/86/22/25/1144862225.db2.gz RXYSDZXXTPTURK-LZCSOBMZSA-N 1 3 307.482 2.217 20 0 DEADHO CC/C=C/CCN1CC[C@@H]1CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001316607308 1144862226 /nfs/dbraw/zinc/86/22/26/1144862226.db2.gz RXYSDZXXTPTURK-LZCSOBMZSA-N 1 3 307.482 2.217 20 0 DEADHO O=C1C[C@H]([NH2+]C2CCN(CC3CC3)CC2)CN1C1CCCCC1 ZINC001364690117 1145467910 /nfs/dbraw/zinc/46/79/10/1145467910.db2.gz WGLRTVNJUXGILE-KRWDZBQOSA-N 1 3 319.493 2.384 20 0 DEADHO COC1(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)CCCCCC1 ZINC001364706625 1145491340 /nfs/dbraw/zinc/49/13/40/1145491340.db2.gz HJQDXUCTYVSRFM-KRWDZBQOSA-N 1 3 310.482 2.257 20 0 DEADHO COC1(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)CCCCCC1 ZINC001364706625 1145491347 /nfs/dbraw/zinc/49/13/47/1145491347.db2.gz HJQDXUCTYVSRFM-KRWDZBQOSA-N 1 3 310.482 2.257 20 0 DEADHO CCc1ccc(CNC2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC001365356962 1145857331 /nfs/dbraw/zinc/85/73/31/1145857331.db2.gz KMASCTZRYVRRKJ-UHFFFAOYSA-N 1 3 317.477 2.281 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C[NH2+]C/C=C/Cl)C(C)(C)C)N(C)C ZINC001284604130 1145877884 /nfs/dbraw/zinc/87/78/84/1145877884.db2.gz NTXUCFADWNOTMP-VSONXHSHSA-N 1 3 303.878 2.200 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC001365674607 1145954982 /nfs/dbraw/zinc/95/49/82/1145954982.db2.gz MGINPQLPNULAPT-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC001365674607 1145954987 /nfs/dbraw/zinc/95/49/87/1145954987.db2.gz MGINPQLPNULAPT-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO CC(C)CN1CC[C@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001365801470 1146013777 /nfs/dbraw/zinc/01/37/77/1146013777.db2.gz HHWYRYUYSKCUPR-DLBZAZTESA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001365819417 1146019582 /nfs/dbraw/zinc/01/95/82/1146019582.db2.gz IXWBNHKGNBAJAX-ZACQAIPSSA-N 1 3 309.498 2.391 20 0 DEADHO CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)C3CCC3)C(C)(C)[C@@H]21 ZINC001365869699 1146035480 /nfs/dbraw/zinc/03/54/80/1146035480.db2.gz FHYYCTGBVKTPMP-DJIMGWMZSA-N 1 3 307.482 2.096 20 0 DEADHO CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)C3CCC3)C(C)(C)[C@@H]21 ZINC001365869699 1146035484 /nfs/dbraw/zinc/03/54/84/1146035484.db2.gz FHYYCTGBVKTPMP-DJIMGWMZSA-N 1 3 307.482 2.096 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CCC(C)C)CC[C@@H]2C1 ZINC001365894434 1146044779 /nfs/dbraw/zinc/04/47/79/1146044779.db2.gz ZSLQJGPLMMEFNS-SJORKVTESA-N 1 3 309.498 2.155 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CCC(C)C)CC[C@@H]2C1 ZINC001365894434 1146044785 /nfs/dbraw/zinc/04/47/85/1146044785.db2.gz ZSLQJGPLMMEFNS-SJORKVTESA-N 1 3 309.498 2.155 20 0 DEADHO Cc1cc(CN2CC[C@H](NC(=O)CC[NH+](C)C)[C@H]2C)cs1 ZINC001365896867 1146049500 /nfs/dbraw/zinc/04/95/00/1146049500.db2.gz YKEBBUBGFLFQPY-HIFRSBDPSA-N 1 3 309.479 2.087 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](CC2CC2)CC(C)(C)C1 ZINC001365905030 1146056765 /nfs/dbraw/zinc/05/67/65/1146056765.db2.gz HXUNPUMAJMFPTE-MRXNPFEDSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1 ZINC001365905030 1146056772 /nfs/dbraw/zinc/05/67/72/1146056772.db2.gz HXUNPUMAJMFPTE-MRXNPFEDSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C1CC[NH+](CC[C@H](C)F)CC1)N(C)C ZINC001365931894 1146919364 /nfs/dbraw/zinc/91/93/64/1146919364.db2.gz LSIPPFLWUOTYBH-GOEBONIOSA-N 1 3 315.477 2.244 20 0 DEADHO CC(C)CCC[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001491813121 1146933635 /nfs/dbraw/zinc/93/36/35/1146933635.db2.gz ZHRLKXINRGRUJQ-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2CC)C1 ZINC001366129281 1147069531 /nfs/dbraw/zinc/06/95/31/1147069531.db2.gz AWXQTYYGHSVAMZ-IYARVYRRSA-N 1 3 317.477 2.328 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)NCc1cc2ccccc2o1 ZINC001366347421 1147227175 /nfs/dbraw/zinc/22/71/75/1147227175.db2.gz WTJNMXZYNKIVFJ-CQSZACIVSA-N 1 3 317.433 2.369 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)NCc1cc2ccccc2o1 ZINC001366347421 1147227181 /nfs/dbraw/zinc/22/71/81/1147227181.db2.gz WTJNMXZYNKIVFJ-CQSZACIVSA-N 1 3 317.433 2.369 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H](C)NCc1ccccc1F)[NH+](C)C ZINC001366350126 1147228262 /nfs/dbraw/zinc/22/82/62/1147228262.db2.gz YTQDAILHPSDZMO-CZUORRHYSA-N 1 3 309.429 2.006 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](C)[C@@H]1CCCc2ccccc21)N(C)C ZINC001366582546 1147372427 /nfs/dbraw/zinc/37/24/27/1147372427.db2.gz GLXLHLGIJVCBLH-ZWKOTPCHSA-N 1 3 317.477 2.452 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](C)[C@@H]1CCCc2ccccc21)N(C)C ZINC001366582546 1147372431 /nfs/dbraw/zinc/37/24/31/1147372431.db2.gz GLXLHLGIJVCBLH-ZWKOTPCHSA-N 1 3 317.477 2.452 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](CC)CC1CCCC1 ZINC001366645182 1147434059 /nfs/dbraw/zinc/43/40/59/1147434059.db2.gz TUVTUYVKEPBKDE-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](CC)CC1CCCC1 ZINC001366645182 1147434061 /nfs/dbraw/zinc/43/40/61/1147434061.db2.gz TUVTUYVKEPBKDE-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001366776285 1147554426 /nfs/dbraw/zinc/55/44/26/1147554426.db2.gz STOKYFUJYMXLBW-CQSZACIVSA-N 1 3 309.429 2.275 20 0 DEADHO CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001316715240 1147591467 /nfs/dbraw/zinc/59/14/67/1147591467.db2.gz UZTUSNMXAKTIEE-BRWVUGGUSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N1CCC(C[N@H+](C)C[C@@H](F)CC)CC1 ZINC001366885655 1147606815 /nfs/dbraw/zinc/60/68/15/1147606815.db2.gz VEQZIZBRYXRNGS-INIZCTEOSA-N 1 3 315.477 2.247 20 0 DEADHO CCCN(C)CC(=O)N1CCC(C[N@@H+](C)C[C@@H](F)CC)CC1 ZINC001366885655 1147606817 /nfs/dbraw/zinc/60/68/17/1147606817.db2.gz VEQZIZBRYXRNGS-INIZCTEOSA-N 1 3 315.477 2.247 20 0 DEADHO CC[N@H+](CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001316924599 1147632459 /nfs/dbraw/zinc/63/24/59/1147632459.db2.gz XCXMMYQIRXQCHJ-QGZVFWFLSA-N 1 3 313.461 2.190 20 0 DEADHO CC[N@@H+](CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001316924599 1147632462 /nfs/dbraw/zinc/63/24/62/1147632462.db2.gz XCXMMYQIRXQCHJ-QGZVFWFLSA-N 1 3 313.461 2.190 20 0 DEADHO CC[C@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001367190545 1147662218 /nfs/dbraw/zinc/66/22/18/1147662218.db2.gz SXELLNPCTLOVFO-KKUMJFAQSA-N 1 3 313.461 2.236 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1 ZINC001367249497 1147669545 /nfs/dbraw/zinc/66/95/45/1147669545.db2.gz SOAXEBRBHKQSRW-WMZOPIPTSA-N 1 3 317.477 2.401 20 0 DEADHO CC1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]CCC2CC2)CC1 ZINC001317192287 1147673835 /nfs/dbraw/zinc/67/38/35/1147673835.db2.gz KJRLMDGHJCVDHQ-SFHVURJKSA-N 1 3 321.509 2.489 20 0 DEADHO Cc1cc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCN2C)c(C)s1 ZINC001367354649 1147683143 /nfs/dbraw/zinc/68/31/43/1147683143.db2.gz ICDONUYTBRZRBM-LRDDRELGSA-N 1 3 323.506 2.396 20 0 DEADHO Cc1ccc(F)c(CNC[C@H](C)N(C)C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001367408734 1147690446 /nfs/dbraw/zinc/69/04/46/1147690446.db2.gz VCMRCWURXYOCGM-GJZGRUSLSA-N 1 3 321.440 2.022 20 0 DEADHO Cc1ccc(F)c(CNC[C@H](C)N(C)C(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001367408734 1147690447 /nfs/dbraw/zinc/69/04/47/1147690447.db2.gz VCMRCWURXYOCGM-GJZGRUSLSA-N 1 3 321.440 2.022 20 0 DEADHO CC/C=C\CC[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001317323864 1147690877 /nfs/dbraw/zinc/69/08/77/1147690877.db2.gz VDUPKKSDQIAYQY-OGZRUICASA-N 1 3 307.482 2.265 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]([NH2+]CC=C(Cl)Cl)C(C)C)N(C)C ZINC001367472979 1147699178 /nfs/dbraw/zinc/69/91/78/1147699178.db2.gz KHNJSVGLFJKPSC-VXGBXAGGSA-N 1 3 324.296 2.376 20 0 DEADHO CN(CC[N@H+](C)CCC1CCCCC1)C(=O)[C@@H]1CCCN1C ZINC001367511515 1147706058 /nfs/dbraw/zinc/70/60/58/1147706058.db2.gz QZXKMDCVYVUXHU-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CN(CC[N@@H+](C)CCC1CCCCC1)C(=O)[C@@H]1CCCN1C ZINC001367511515 1147706059 /nfs/dbraw/zinc/70/60/59/1147706059.db2.gz QZXKMDCVYVUXHU-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@H](c1cccc(F)c1)N(C)CCN(C)C(=O)CC[NH+](C)C ZINC001367538643 1147711895 /nfs/dbraw/zinc/71/18/95/1147711895.db2.gz XSJOXLLPCSBWPK-CQSZACIVSA-N 1 3 309.429 2.229 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001367679278 1147726098 /nfs/dbraw/zinc/72/60/98/1147726098.db2.gz BNNBVSCEFRFDKW-TZMCWYRMSA-N 1 3 319.440 2.246 20 0 DEADHO CCc1cccc(C[NH2+]CCN(C)C(=O)CN(C)C(C)C)c1 ZINC001317666662 1147741168 /nfs/dbraw/zinc/74/11/68/1147741168.db2.gz YLQUELWYVPDSBM-UHFFFAOYSA-N 1 3 305.466 2.137 20 0 DEADHO CCc1cccc(C[NH2+]C2(CNC(=O)[C@H](CC)N(C)C)CC2)c1 ZINC001368018137 1147830464 /nfs/dbraw/zinc/83/04/64/1147830464.db2.gz GQBDHRDQIBMYNO-KRWDZBQOSA-N 1 3 317.477 2.328 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+][C@@H](C)c2cccc(F)c2)CC1)N(C)C ZINC001368029510 1147835595 /nfs/dbraw/zinc/83/55/95/1147835595.db2.gz RCZTWSVVNHDWCL-BBRMVZONSA-N 1 3 321.440 2.465 20 0 DEADHO Cc1ccccc1C[NH2+]C1(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001368036413 1147837729 /nfs/dbraw/zinc/83/77/29/1147837729.db2.gz LRSQUJLPYYQEFQ-KRWDZBQOSA-N 1 3 317.477 2.320 20 0 DEADHO COc1cc(C[NH2+]CCCN2CCCO[C@H](C)C2)ccc1F ZINC001326375440 1148087619 /nfs/dbraw/zinc/08/76/19/1148087619.db2.gz JGIVNTMEUBKOTP-CQSZACIVSA-N 1 3 310.413 2.425 20 0 DEADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000624785849 365549824 /nfs/dbraw/zinc/54/98/24/365549824.db2.gz VOXCUYSBCJAKJW-NVXWUHKLSA-N 1 3 322.497 2.034 20 0 DEADHO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000624785849 365549829 /nfs/dbraw/zinc/54/98/29/365549829.db2.gz VOXCUYSBCJAKJW-NVXWUHKLSA-N 1 3 322.497 2.034 20 0 DEADHO [NH3+]C[C@H](CN1CCN(C2CCCC2)CC1)c1ccc(F)cc1 ZINC000424307295 230615599 /nfs/dbraw/zinc/61/55/99/230615599.db2.gz XICXFRYHOUGMOG-MRXNPFEDSA-N 1 3 305.441 2.428 20 0 DEADHO CN(C)[C@H]1CCCN(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000105126318 282173478 /nfs/dbraw/zinc/17/34/78/282173478.db2.gz URYKYJCQXDSUJB-IRXDYDNUSA-N 1 3 324.513 2.233 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)NCC([NH3+])(CC)CC ZINC000418446409 529608935 /nfs/dbraw/zinc/60/89/35/529608935.db2.gz ZETFFKYQVQYRDN-HNNXBMFYSA-N 1 3 306.454 2.066 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000417447962 529613705 /nfs/dbraw/zinc/61/37/05/529613705.db2.gz SGCPYSBTHAHXLS-RHSMWYFYSA-N 1 3 320.481 2.278 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)NCC[N@H+](C)[C@H](C)CC ZINC000417447962 529613706 /nfs/dbraw/zinc/61/37/06/529613706.db2.gz SGCPYSBTHAHXLS-RHSMWYFYSA-N 1 3 320.481 2.278 20 0 DEADHO C[NH2+]CCC1CCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000418093655 529960712 /nfs/dbraw/zinc/96/07/12/529960712.db2.gz CBDQNIXNLWQVHM-MRXNPFEDSA-N 1 3 324.513 2.138 20 0 DEADHO CN(C[C@H]1CCCN1C)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000422605863 529966448 /nfs/dbraw/zinc/96/64/48/529966448.db2.gz HGICSNKHZCVQST-SJORKVTESA-N 1 3 318.465 2.202 20 0 DEADHO C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000418356427 529989573 /nfs/dbraw/zinc/98/95/73/529989573.db2.gz PYLRAUWDSXNRQK-IRXDYDNUSA-N 1 3 318.465 2.203 20 0 DEADHO CN1CCC(N(Cc2ccccc2)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000418425319 530049649 /nfs/dbraw/zinc/04/96/49/530049649.db2.gz HYMROOWBVDVAFY-UHFFFAOYSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@@H](O)CCN(C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000093481920 539430959 /nfs/dbraw/zinc/43/09/59/539430959.db2.gz DAFQBCKODOVYHK-MRXNPFEDSA-N 1 3 306.450 2.364 20 0 DEADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(C(=O)C3CCCC3)C2)[C@H](C)C1 ZINC000126860333 539479210 /nfs/dbraw/zinc/47/92/10/539479210.db2.gz FGHNOQZBCPXRFX-OIISXLGYSA-N 1 3 307.482 2.097 20 0 DEADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(C(=O)C3CCCC3)C2)[C@H](C)C1 ZINC000126860333 539479213 /nfs/dbraw/zinc/47/92/13/539479213.db2.gz FGHNOQZBCPXRFX-OIISXLGYSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1)N1[C@H](C)CC[C@@H]1C ZINC000615619062 362660622 /nfs/dbraw/zinc/66/06/22/362660622.db2.gz LVBQATNBQUQWDB-HPFXQQBRSA-N 1 3 307.482 2.192 20 0 DEADHO C[C@H](C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1)N1[C@H](C)CC[C@@H]1C ZINC000615619062 362660623 /nfs/dbraw/zinc/66/06/23/362660623.db2.gz LVBQATNBQUQWDB-HPFXQQBRSA-N 1 3 307.482 2.192 20 0 DEADHO CCC1(CC)[C@H](N[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C[C@@H]1OC ZINC000422926307 282456893 /nfs/dbraw/zinc/45/68/93/282456893.db2.gz CQNTWLKYVNXVPZ-JJTUDDRGSA-N 1 3 310.482 2.327 20 0 DEADHO [NH3+][C@H]1CCC[C@H](NC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000162256635 539596184 /nfs/dbraw/zinc/59/61/84/539596184.db2.gz HYOOSLYGWPYVGD-IRXDYDNUSA-N 1 3 301.434 2.282 20 0 DEADHO CC(C)CC(=O)N1CCC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000166373269 539609661 /nfs/dbraw/zinc/60/96/61/539609661.db2.gz QEFXVCRVSSAUMU-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)CC(=O)N1CCC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166373269 539609667 /nfs/dbraw/zinc/60/96/67/539609667.db2.gz QEFXVCRVSSAUMU-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)CC(=O)N1CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166373269 539609673 /nfs/dbraw/zinc/60/96/73/539609673.db2.gz QEFXVCRVSSAUMU-IAGOWNOFSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H](NC(=O)NCC[C@H]1CCC[NH2+]1)[C@@H](c1ccccc1)N(C)C ZINC000418183601 299157043 /nfs/dbraw/zinc/15/70/43/299157043.db2.gz OMMSJUHNPQVBHV-UAGQMJEPSA-N 1 3 318.465 2.119 20 0 DEADHO CC(C)C[C@@H](N)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000236695690 539738779 /nfs/dbraw/zinc/73/87/79/539738779.db2.gz ZCHKBTPBNVSZTJ-QGZVFWFLSA-N 1 3 309.498 2.474 20 0 DEADHO CC(C)C[C@@H](N)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000236695690 539738784 /nfs/dbraw/zinc/73/87/84/539738784.db2.gz ZCHKBTPBNVSZTJ-QGZVFWFLSA-N 1 3 309.498 2.474 20 0 DEADHO CC(C)C1CCC(N2CCN(C(=O)CC(C)(C)[NH3+])CC2)CC1 ZINC000236584479 539737753 /nfs/dbraw/zinc/73/77/53/539737753.db2.gz RKUNVBMYFHUAGU-UHFFFAOYSA-N 1 3 309.498 2.473 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)CC2([NH3+])CCC2)N(C)C)cc1 ZINC000236958674 539741196 /nfs/dbraw/zinc/74/11/96/539741196.db2.gz XUXJJISYYROFPA-MRXNPFEDSA-N 1 3 303.450 2.239 20 0 DEADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000237046991 539742398 /nfs/dbraw/zinc/74/23/98/539742398.db2.gz LNYLOVSAYUQJCL-CYBMUJFWSA-N 1 3 315.417 2.366 20 0 DEADHO CCOC[C@@H]1CCN(CC[C@H](C)[N@@H+]2CC[C@@H](COCC)C2)C1 ZINC000245705458 539757563 /nfs/dbraw/zinc/75/75/63/539757563.db2.gz WYLMZHZXGXUFJE-RCCFBDPRSA-N 1 3 312.498 2.482 20 0 DEADHO CCOC[C@@H]1CCN(CC[C@H](C)[N@H+]2CC[C@@H](COCC)C2)C1 ZINC000245705458 539757569 /nfs/dbraw/zinc/75/75/69/539757569.db2.gz WYLMZHZXGXUFJE-RCCFBDPRSA-N 1 3 312.498 2.482 20 0 DEADHO CCOC[C@@H]1CCN([C@@H](C)CC[N@@H+]2CC[C@@H](COCC)C2)C1 ZINC000245705458 539757574 /nfs/dbraw/zinc/75/75/74/539757574.db2.gz WYLMZHZXGXUFJE-RCCFBDPRSA-N 1 3 312.498 2.482 20 0 DEADHO CCOC[C@@H]1CCN([C@@H](C)CC[N@H+]2CC[C@@H](COCC)C2)C1 ZINC000245705458 539757579 /nfs/dbraw/zinc/75/75/79/539757579.db2.gz WYLMZHZXGXUFJE-RCCFBDPRSA-N 1 3 312.498 2.482 20 0 DEADHO CN(C)Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000171455445 186162432 /nfs/dbraw/zinc/16/24/32/186162432.db2.gz NMPXLXMDKCNWEH-KRWDZBQOSA-N 1 3 301.434 2.059 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000237507295 186299270 /nfs/dbraw/zinc/29/92/70/186299270.db2.gz PFAJJIKLUZXTBT-MAUKXSAKSA-N 1 3 315.461 2.482 20 0 DEADHO CN1CCC(O)(C[NH2+]Cc2cccc(-c3ccccn3)c2)CC1 ZINC000269585532 186392272 /nfs/dbraw/zinc/39/22/72/186392272.db2.gz BALPSEPXRDRTBG-UHFFFAOYSA-N 1 3 311.429 2.295 20 0 DEADHO CCc1noc(C)c1CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333876243 282984028 /nfs/dbraw/zinc/98/40/28/282984028.db2.gz SXYCUTGISVHQOH-RDJZCZTQSA-N 1 3 307.438 2.264 20 0 DEADHO C[C@@H](O)CCN(C)Cc1ccccc1C[N@H+](C)CC[C@H](C)O ZINC000173563583 198228289 /nfs/dbraw/zinc/22/82/89/198228289.db2.gz KFJCWGJOSVFNDL-IYBDPMFKSA-N 1 3 308.466 2.092 20 0 DEADHO C[C@@H](O)CCN(C)Cc1ccccc1C[N@@H+](C)CC[C@H](C)O ZINC000173563583 198228291 /nfs/dbraw/zinc/22/82/91/198228291.db2.gz KFJCWGJOSVFNDL-IYBDPMFKSA-N 1 3 308.466 2.092 20 0 DEADHO C[C@@H](O)CC[N@@H+](C)Cc1ccccc1CN(C)CC[C@H](C)O ZINC000173563583 198228293 /nfs/dbraw/zinc/22/82/93/198228293.db2.gz KFJCWGJOSVFNDL-IYBDPMFKSA-N 1 3 308.466 2.092 20 0 DEADHO C[C@@H](O)CC[N@H+](C)Cc1ccccc1CN(C)CC[C@H](C)O ZINC000173563583 198228295 /nfs/dbraw/zinc/22/82/95/198228295.db2.gz KFJCWGJOSVFNDL-IYBDPMFKSA-N 1 3 308.466 2.092 20 0 DEADHO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000174411347 198331471 /nfs/dbraw/zinc/33/14/71/198331471.db2.gz FCEPJQFGVUXFGV-PBHICJAKSA-N 1 3 303.450 2.256 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@]2(C)CCCC[NH2+]2)cc1 ZINC000236772836 202003524 /nfs/dbraw/zinc/00/35/24/202003524.db2.gz LLOCKTOZYFFKID-AEFFLSMTSA-N 1 3 303.450 2.458 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)NCCC(C)(C)C)CC2)CC1 ZINC000051760133 354388958 /nfs/dbraw/zinc/38/89/58/354388958.db2.gz QVUWSKBFUKPJOO-UHFFFAOYSA-N 1 3 324.513 2.280 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(C)nc1 ZINC000349063728 540027629 /nfs/dbraw/zinc/02/76/29/540027629.db2.gz REBGGIXLLRSNQF-SFHVURJKSA-N 1 3 304.482 2.238 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(C)nc1 ZINC000349063728 540027632 /nfs/dbraw/zinc/02/76/32/540027632.db2.gz REBGGIXLLRSNQF-SFHVURJKSA-N 1 3 304.482 2.238 20 0 DEADHO C[NH+](C)CCC1CCN(C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000056524415 354535862 /nfs/dbraw/zinc/53/58/62/354535862.db2.gz UAVWPOIDYPAPSY-QGZVFWFLSA-N 1 3 324.440 2.229 20 0 DEADHO CC(C)N(C)CC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000068467407 354812847 /nfs/dbraw/zinc/81/28/47/354812847.db2.gz KTDVJZITSZXSAG-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)C1CC[NH+](C)CC1 ZINC000073032935 354938320 /nfs/dbraw/zinc/93/83/20/354938320.db2.gz KMDYKCKWGBEHFU-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN(C)CC[C@@H]1C ZINC000355478375 283064072 /nfs/dbraw/zinc/06/40/72/283064072.db2.gz VORIGYOSGUCHLB-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN(C)CC[C@@H]1C ZINC000355478375 283064078 /nfs/dbraw/zinc/06/40/78/283064078.db2.gz VORIGYOSGUCHLB-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO CCCOc1cc(C[NH2+]CC2(O)CCN(C)CC2)ccc1OC ZINC000077450515 355205280 /nfs/dbraw/zinc/20/52/80/355205280.db2.gz VMTPHMVTGAOFEP-UHFFFAOYSA-N 1 3 322.449 2.030 20 0 DEADHO Cc1cccc(C)c1OC[C@H](O)CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000388084216 540129727 /nfs/dbraw/zinc/12/97/27/540129727.db2.gz BWNSHAWMQHJGLB-IXDOHACOSA-N 1 3 306.450 2.115 20 0 DEADHO Cc1cccc(C)c1OC[C@H](O)CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000388084216 540129729 /nfs/dbraw/zinc/12/97/29/540129729.db2.gz BWNSHAWMQHJGLB-IXDOHACOSA-N 1 3 306.450 2.115 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)C(F)(F)F ZINC000079886194 355334510 /nfs/dbraw/zinc/33/45/10/355334510.db2.gz ADIJYCHEMFEYDC-OLZOCXBDSA-N 1 3 323.403 2.059 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)C(F)(F)F ZINC000079886194 355334511 /nfs/dbraw/zinc/33/45/11/355334511.db2.gz ADIJYCHEMFEYDC-OLZOCXBDSA-N 1 3 323.403 2.059 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000358240124 295904860 /nfs/dbraw/zinc/90/48/60/295904860.db2.gz SYWOZEWIOCIAHQ-INIZCTEOSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000417017630 295905617 /nfs/dbraw/zinc/90/56/17/295905617.db2.gz HDSQAHIPZKRZKP-GOEBONIOSA-N 1 3 310.486 2.068 20 0 DEADHO C[C@@H]1CCC[C@](CNC(=O)C23CCCN2CCC3)([NH+](C)C)C1 ZINC000368011927 283117159 /nfs/dbraw/zinc/11/71/59/283117159.db2.gz LIHXNDVJGPORJR-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)N(C)C1CC1 ZINC000105070656 355719497 /nfs/dbraw/zinc/71/94/97/355719497.db2.gz AVWWAPNIQFRVNW-LBPRGKRZSA-N 1 3 310.486 2.078 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)C[C@H]1CCc2ccccc21 ZINC000115371146 355768364 /nfs/dbraw/zinc/76/83/64/355768364.db2.gz RCYQGCCEEBLZCJ-QGZVFWFLSA-N 1 3 317.477 2.058 20 0 DEADHO CC[C@@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000130308583 355840708 /nfs/dbraw/zinc/84/07/08/355840708.db2.gz SDKAZCPNBDKHKJ-WMLDXEAASA-N 1 3 303.450 2.272 20 0 DEADHO CC[C@@H](N)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000130308583 355840709 /nfs/dbraw/zinc/84/07/09/355840709.db2.gz SDKAZCPNBDKHKJ-WMLDXEAASA-N 1 3 303.450 2.272 20 0 DEADHO CC[C@@H](N)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000130413182 355842431 /nfs/dbraw/zinc/84/24/31/355842431.db2.gz IQCOOOAQQRHNGP-QGZVFWFLSA-N 1 3 303.450 2.416 20 0 DEADHO N[C@H](Cc1ccccc1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000143833727 355901102 /nfs/dbraw/zinc/90/11/02/355901102.db2.gz IZVCDAFLTARRDX-GOSISDBHSA-N 1 3 315.461 2.033 20 0 DEADHO O=C(CCNC1CC[NH+](CC2CC2)CC1)Nc1ccccc1 ZINC000164953105 355974976 /nfs/dbraw/zinc/97/49/76/355974976.db2.gz BEORZGKGSTYJBT-UHFFFAOYSA-N 1 3 301.434 2.479 20 0 DEADHO O=C(CC[NH2+]C1CCN(CC2CC2)CC1)Nc1ccccc1 ZINC000164953105 355974981 /nfs/dbraw/zinc/97/49/81/355974981.db2.gz BEORZGKGSTYJBT-UHFFFAOYSA-N 1 3 301.434 2.479 20 0 DEADHO C[NH+](C)Cc1ccc(CN[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000182233173 356115047 /nfs/dbraw/zinc/11/50/47/356115047.db2.gz CNWPWMLKLHQLFB-IRXDYDNUSA-N 1 3 324.490 2.194 20 0 DEADHO CCC1(CC)[C@H]([NH2+]CCCN2CCCN(C)CC2)C[C@H]1OC ZINC000181705861 356091850 /nfs/dbraw/zinc/09/18/50/356091850.db2.gz YNKCQTTWYQKFDJ-IAGOWNOFSA-N 1 3 311.514 2.197 20 0 DEADHO C[C@@H]1CCCC[C@H]1C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000183021805 356157117 /nfs/dbraw/zinc/15/71/17/356157117.db2.gz GIEYGSDLUSVHGI-WBVHZDCISA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc3c(c2)CNC3)CC1 ZINC000321953094 356451357 /nfs/dbraw/zinc/45/13/57/356451357.db2.gz FOIWJOMPLKQVKL-UHFFFAOYSA-N 1 3 315.461 2.482 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccc3c(c2)CNC3)CC1 ZINC000321953094 356451360 /nfs/dbraw/zinc/45/13/60/356451360.db2.gz FOIWJOMPLKQVKL-UHFFFAOYSA-N 1 3 315.461 2.482 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000317320994 356432933 /nfs/dbraw/zinc/43/29/33/356432933.db2.gz WBEXOGBPGCLWEU-CYBMUJFWSA-N 1 3 305.422 2.085 20 0 DEADHO CN(C)CCOc1cccc(NC(=O)CC[C@H]2CCC[NH2+]C2)c1 ZINC000320828310 356447300 /nfs/dbraw/zinc/44/73/00/356447300.db2.gz NGLBTJLODRVCDG-OAHLLOKOSA-N 1 3 319.449 2.345 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000462634379 283174753 /nfs/dbraw/zinc/17/47/53/283174753.db2.gz YFIFKFVCFRNDIX-XHSDSOJGSA-N 1 3 312.502 2.088 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000462634379 283174757 /nfs/dbraw/zinc/17/47/57/283174757.db2.gz YFIFKFVCFRNDIX-XHSDSOJGSA-N 1 3 312.502 2.088 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NCCN1CCC(C)CC1 ZINC000357611047 283182808 /nfs/dbraw/zinc/18/28/08/283182808.db2.gz UVXLVSQQYQJBIT-INIZCTEOSA-N 1 3 312.502 2.138 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NCCN1CCC(C)CC1 ZINC000357611047 283182810 /nfs/dbraw/zinc/18/28/10/283182810.db2.gz UVXLVSQQYQJBIT-INIZCTEOSA-N 1 3 312.502 2.138 20 0 DEADHO C[C@H](NC(=O)N1CCN(C2CCCC2)CC1)C(C)(C)C[NH+](C)C ZINC000085424502 192503135 /nfs/dbraw/zinc/50/31/35/192503135.db2.gz GFZAGKMOIIOQSQ-HNNXBMFYSA-N 1 3 324.513 2.233 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@]1(C)CC[NH2+]C1)c1ccccc1 ZINC000236887098 202052616 /nfs/dbraw/zinc/05/26/16/202052616.db2.gz QHJFLHYIUVOZLA-SJLPKXTDSA-N 1 3 303.450 2.185 20 0 DEADHO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000236910415 202066074 /nfs/dbraw/zinc/06/60/74/202066074.db2.gz UVNDUBRQDWFMOY-DIECFANBSA-N 1 3 303.450 2.139 20 0 DEADHO CCC[C@@H]([NH3+])C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000236962183 202095640 /nfs/dbraw/zinc/09/56/40/202095640.db2.gz RTEWRVGYLOQOMD-IAGOWNOFSA-N 1 3 303.450 2.285 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000423766335 283197071 /nfs/dbraw/zinc/19/70/71/283197071.db2.gz VDCCOTXLFCNZRJ-DLBZAZTESA-N 1 3 309.498 2.474 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000423766597 283197097 /nfs/dbraw/zinc/19/70/97/283197097.db2.gz BLVXHROVJOTWEJ-OAHLLOKOSA-N 1 3 321.490 2.028 20 0 DEADHO C[C@H](CC(=O)N(C)[C@@H](C)C1CCN(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000423768377 283197985 /nfs/dbraw/zinc/19/79/85/283197985.db2.gz XDCPOWNCHCFDKR-VYDXJSESSA-N 1 3 309.498 2.201 20 0 DEADHO CN(CCCNC(=O)[C@@H]1CC12CC[NH2+]CC2)Cc1ccccc1 ZINC000237069302 202143330 /nfs/dbraw/zinc/14/33/30/202143330.db2.gz UKWKWBBFNLPMDJ-KRWDZBQOSA-N 1 3 315.461 2.014 20 0 DEADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000382755249 356677513 /nfs/dbraw/zinc/67/75/13/356677513.db2.gz GWPJPHCIOJYTAK-PMPSAXMXSA-N 1 3 303.450 2.093 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000390628153 356709909 /nfs/dbraw/zinc/70/99/09/356709909.db2.gz DOZILMLUMLZQLT-CQSZACIVSA-N 1 3 319.449 2.475 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000390006054 356708026 /nfs/dbraw/zinc/70/80/26/356708026.db2.gz WSFORHRVOSGSFR-KBAYOESNSA-N 1 3 315.461 2.155 20 0 DEADHO CCN(Cc1ccc(C(=O)N(C)[C@H]2CC[NH2+]C2)cc1)C1CC1 ZINC000578130763 356765935 /nfs/dbraw/zinc/76/59/35/356765935.db2.gz BXYMWRIBJHNNHG-KRWDZBQOSA-N 1 3 301.434 2.105 20 0 DEADHO C[NH2+]CCCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000237204971 202189008 /nfs/dbraw/zinc/18/90/08/202189008.db2.gz GFYSKSSMMWBWFQ-DOTOQJQBSA-N 1 3 303.450 2.155 20 0 DEADHO Cc1nc(CN2CCC(C[NH2+][C@@H]3CNCC[C@@H]3C)CC2)oc1C ZINC000578994738 356904522 /nfs/dbraw/zinc/90/45/22/356904522.db2.gz MHPBIUQXSJLFGX-SUMWQHHRSA-N 1 3 320.481 2.091 20 0 DEADHO CCCN(CC[NH+](CC)CC)C(=O)NC1CCN(C2CC2)CC1 ZINC000133290821 283233383 /nfs/dbraw/zinc/23/33/83/283233383.db2.gz HJUKBOBVHBJUGY-UHFFFAOYSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(CC[NH3+])CC1 ZINC000580955617 357108085 /nfs/dbraw/zinc/10/80/85/357108085.db2.gz JVTAHZBUGPZNII-CQSZACIVSA-N 1 3 321.440 2.233 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000351069041 283238218 /nfs/dbraw/zinc/23/82/18/283238218.db2.gz ZTDCJZQUJAPICG-IAGOWNOFSA-N 1 3 322.497 2.131 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000351069041 283238224 /nfs/dbraw/zinc/23/82/24/283238224.db2.gz ZTDCJZQUJAPICG-IAGOWNOFSA-N 1 3 322.497 2.131 20 0 DEADHO CC[C@@H]1CN(C)CCCN1C(=O)CSCC[NH+](CC)CC ZINC000588821583 357425820 /nfs/dbraw/zinc/42/58/20/357425820.db2.gz JDLIEHWOOWNSGN-OAHLLOKOSA-N 1 3 315.527 2.004 20 0 DEADHO c1ccc(CN(CC2CCOCC2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000435392163 283261491 /nfs/dbraw/zinc/26/14/91/283261491.db2.gz GGAQFVWKDGXNRZ-SFHVURJKSA-N 1 3 303.450 2.452 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000591447512 357725241 /nfs/dbraw/zinc/72/52/41/357725241.db2.gz OMJHUOIVVXQZNO-QZTJIDSGSA-N 1 3 315.461 2.109 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000591447512 357725244 /nfs/dbraw/zinc/72/52/44/357725244.db2.gz OMJHUOIVVXQZNO-QZTJIDSGSA-N 1 3 315.461 2.109 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000591447513 357725357 /nfs/dbraw/zinc/72/53/57/357725357.db2.gz OMJHUOIVVXQZNO-ROUUACIJSA-N 1 3 315.461 2.109 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000591447513 357725360 /nfs/dbraw/zinc/72/53/60/357725360.db2.gz OMJHUOIVVXQZNO-ROUUACIJSA-N 1 3 315.461 2.109 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)N1CCCCC1 ZINC000591162622 357683417 /nfs/dbraw/zinc/68/34/17/357683417.db2.gz ZWMGZKKEEGWBHK-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)N1CCCCC1 ZINC000591162622 357683420 /nfs/dbraw/zinc/68/34/20/357683420.db2.gz ZWMGZKKEEGWBHK-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](NCC1(C)OCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000179570982 199056449 /nfs/dbraw/zinc/05/64/49/199056449.db2.gz XZBUKHJCZAULFS-AWEZNQCLSA-N 1 3 308.422 2.041 20 0 DEADHO CCN(CC[NH3+])C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000627045193 366420679 /nfs/dbraw/zinc/42/06/79/366420679.db2.gz KHDJOIRWNNDLQI-OAHLLOKOSA-N 1 3 324.494 2.001 20 0 DEADHO Cn1cccc1CNCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000180989407 199237186 /nfs/dbraw/zinc/23/71/86/199237186.db2.gz DFMSFDXRSOLVPC-LJQANCHMSA-N 1 3 313.445 2.272 20 0 DEADHO Cn1cccc1CNCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000180989407 199237187 /nfs/dbraw/zinc/23/71/87/199237187.db2.gz DFMSFDXRSOLVPC-LJQANCHMSA-N 1 3 313.445 2.272 20 0 DEADHO C[C@@H](CN[C@H]1CC[NH2+]CC[C@H]1C)N1CCc2ccccc2C1 ZINC000422716104 295974681 /nfs/dbraw/zinc/97/46/81/295974681.db2.gz MWWVRZWQJYVVRO-GJYPPUQNSA-N 1 3 301.478 2.411 20 0 DEADHO C[C@@H](CCN)[NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496266997 283390822 /nfs/dbraw/zinc/39/08/22/283390822.db2.gz WNNNNQKNKHBESL-HNNXBMFYSA-N 1 3 319.449 2.362 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(CN)c2)C1 ZINC000667726322 540514632 /nfs/dbraw/zinc/51/46/32/540514632.db2.gz RITKMDHUYQFNAY-OAHLLOKOSA-N 1 3 304.438 2.245 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2cccc(CN)c2)C1 ZINC000667726322 540514635 /nfs/dbraw/zinc/51/46/35/540514635.db2.gz RITKMDHUYQFNAY-OAHLLOKOSA-N 1 3 304.438 2.245 20 0 DEADHO c1cc(N2CCC(C[NH2+][C@@H]3CO[C@@H](C4CC4)C3)CC2)ccn1 ZINC000667923508 540550848 /nfs/dbraw/zinc/55/08/48/540550848.db2.gz OLVOWUXPSYTJQR-FUHWJXTLSA-N 1 3 301.434 2.455 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C[C@@H](N)c1ccccc1 ZINC000237548775 202279409 /nfs/dbraw/zinc/27/94/09/202279409.db2.gz WTAKZQWBKCCTNI-HLLBOEOZSA-N 1 3 303.450 2.313 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C[C@@H](N)c1ccccc1 ZINC000237548775 202279412 /nfs/dbraw/zinc/27/94/12/202279412.db2.gz WTAKZQWBKCCTNI-HLLBOEOZSA-N 1 3 303.450 2.313 20 0 DEADHO Cc1cc(NC(=O)[C@@H]2CC[NH2+]C2)ccc1OCCN1CCCC1 ZINC000237718660 202338171 /nfs/dbraw/zinc/33/81/71/202338171.db2.gz HCAIRGJCQVSAMJ-OAHLLOKOSA-N 1 3 317.433 2.018 20 0 DEADHO CCOC(=O)c1ccc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)[nH]1 ZINC000602664386 360484572 /nfs/dbraw/zinc/48/45/72/360484572.db2.gz WDYWQNAOMGYGEE-OAHLLOKOSA-N 1 3 319.449 2.355 20 0 DEADHO COC(=O)[C@](C)(CN[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000602628597 360465572 /nfs/dbraw/zinc/46/55/72/360465572.db2.gz HIYXLCCBEDPLRG-YXJHDRRASA-N 1 3 304.434 2.190 20 0 DEADHO COC(=O)[C@](C)(CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000602628597 360465573 /nfs/dbraw/zinc/46/55/73/360465573.db2.gz HIYXLCCBEDPLRG-YXJHDRRASA-N 1 3 304.434 2.190 20 0 DEADHO COCCSCCC[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000602845768 360587945 /nfs/dbraw/zinc/58/79/45/360587945.db2.gz BGZMTUCHYMNCIZ-UHFFFAOYSA-N 1 3 309.479 2.363 20 0 DEADHO COCCSCCC[N@H+]1CCCN(c2ccncc2)CC1 ZINC000602845768 360587951 /nfs/dbraw/zinc/58/79/51/360587951.db2.gz BGZMTUCHYMNCIZ-UHFFFAOYSA-N 1 3 309.479 2.363 20 0 DEADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000417328265 296023532 /nfs/dbraw/zinc/02/35/32/296023532.db2.gz MCLGOWUGYWJLBA-QXSJWSMHSA-N 1 3 310.486 2.018 20 0 DEADHO NCc1cccc(NC(=O)C2(c3ccccc3)CC[NH2+]CC2)c1 ZINC000669508403 540848105 /nfs/dbraw/zinc/84/81/05/540848105.db2.gz SJHNQHRIZPMGAR-UHFFFAOYSA-N 1 3 309.413 2.405 20 0 DEADHO CC(C)(C(=O)N1CCC2(CC[NH2+]C2)CC1)[C@@H](N)c1ccccc1 ZINC000669519681 540851061 /nfs/dbraw/zinc/85/10/61/540851061.db2.gz NWJOCKXNKVIEPE-INIZCTEOSA-N 1 3 315.461 2.315 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CCC[NH2+]CC1)c1ccco1 ZINC000669584191 540869428 /nfs/dbraw/zinc/86/94/28/540869428.db2.gz ZDLIFDVTCJJKQJ-RRFJBIMHSA-N 1 3 322.453 2.150 20 0 DEADHO C[C@H](NC(=O)N1CCCN(C(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC000606702109 361035482 /nfs/dbraw/zinc/03/54/82/361035482.db2.gz QEBDCMIGZGEPLM-HNNXBMFYSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccco1 ZINC000607637843 361100235 /nfs/dbraw/zinc/10/02/35/361100235.db2.gz KRRROWBBXUXDLH-AWEZNQCLSA-N 1 3 319.449 2.058 20 0 DEADHO CN(C)CCN(C)CCC[N@H+](C)Cc1ccc2[nH]ccc2c1 ZINC000628282998 366792850 /nfs/dbraw/zinc/79/28/50/366792850.db2.gz AYTHEBYHZUAXQQ-UHFFFAOYSA-N 1 3 302.466 2.483 20 0 DEADHO CN(C)CCN(C)CCC[N@@H+](C)Cc1ccc2[nH]ccc2c1 ZINC000628282998 366792856 /nfs/dbraw/zinc/79/28/56/366792856.db2.gz AYTHEBYHZUAXQQ-UHFFFAOYSA-N 1 3 302.466 2.483 20 0 DEADHO C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](c1ccccc1)N(C)C ZINC000274752497 296042086 /nfs/dbraw/zinc/04/20/86/296042086.db2.gz XINCYJBVWKQPMS-RHSMWYFYSA-N 1 3 303.450 2.136 20 0 DEADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000673749767 541140529 /nfs/dbraw/zinc/14/05/29/541140529.db2.gz JWNSZWXDIBBIRM-AEFFLSMTSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000673749767 541140531 /nfs/dbraw/zinc/14/05/31/541140531.db2.gz JWNSZWXDIBBIRM-AEFFLSMTSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000447970801 239195810 /nfs/dbraw/zinc/19/58/10/239195810.db2.gz GVHUWGSGCNISRA-HOTGVXAUSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H]1CCC[N@@H+](CCNC(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000447970801 239195818 /nfs/dbraw/zinc/19/58/18/239195818.db2.gz GVHUWGSGCNISRA-HOTGVXAUSA-N 1 3 324.513 2.138 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000675194528 541300094 /nfs/dbraw/zinc/30/00/94/541300094.db2.gz SENLRZCZVIBHOE-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000675194528 541300097 /nfs/dbraw/zinc/30/00/97/541300097.db2.gz SENLRZCZVIBHOE-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H](C(=O)NCC1CC[NH+](CC2CC2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000620930891 364205221 /nfs/dbraw/zinc/20/52/21/364205221.db2.gz ZNSGDKFVTIKKOO-OWCLPIDISA-N 1 3 321.509 2.486 20 0 DEADHO C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000621105885 364257804 /nfs/dbraw/zinc/25/78/04/364257804.db2.gz ZXYWAYNBVHPADH-DFGXFYAUSA-N 1 3 321.509 2.486 20 0 DEADHO C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000621105885 364257811 /nfs/dbraw/zinc/25/78/11/364257811.db2.gz ZXYWAYNBVHPADH-DFGXFYAUSA-N 1 3 321.509 2.486 20 0 DEADHO C[C@H]([NH2+][C@H]1CCCN(C)C1)c1cccc(OCCN(C)C)c1 ZINC000675765653 541380892 /nfs/dbraw/zinc/38/08/92/541380892.db2.gz DHLSTAFDXZMGMB-RDJZCZTQSA-N 1 3 305.466 2.372 20 0 DEADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000623058117 364871070 /nfs/dbraw/zinc/87/10/70/364871070.db2.gz QXKITOCYEZBYCB-HIFRSBDPSA-N 1 3 304.438 2.339 20 0 DEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H](C)NC2CC2)CC1 ZINC000449095316 240046190 /nfs/dbraw/zinc/04/61/90/240046190.db2.gz XSDSBCCJMSSUEW-HNNXBMFYSA-N 1 3 315.461 2.216 20 0 DEADHO COc1ccc(-n2cc(CNCC3=CC[N@H+](C)CC3)cn2)cc1 ZINC000449250115 240248788 /nfs/dbraw/zinc/24/87/88/240248788.db2.gz LEXVFDSPLNZPPI-UHFFFAOYSA-N 1 3 312.417 2.232 20 0 DEADHO COc1ccc(-n2cc(CNCC3=CC[N@@H+](C)CC3)cn2)cc1 ZINC000449250115 240248804 /nfs/dbraw/zinc/24/88/04/240248804.db2.gz LEXVFDSPLNZPPI-UHFFFAOYSA-N 1 3 312.417 2.232 20 0 DEADHO C[C@@H]1CSC[C@@H]1NCc1ccncc1OCCC[NH+](C)C ZINC000449330845 240386916 /nfs/dbraw/zinc/38/69/16/240386916.db2.gz VWMBJFZRVDDJJR-HIFRSBDPSA-N 1 3 309.479 2.253 20 0 DEADHO CCN1C[C@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)[C@@H](C)C1 ZINC000623743322 365158918 /nfs/dbraw/zinc/15/89/18/365158918.db2.gz PDEKUSBIKXBRJC-XIRDDKMYSA-N 1 3 322.497 2.033 20 0 DEADHO CCN1C[C@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)[C@@H](C)C1 ZINC000623743322 365158926 /nfs/dbraw/zinc/15/89/26/365158926.db2.gz PDEKUSBIKXBRJC-XIRDDKMYSA-N 1 3 322.497 2.033 20 0 DEADHO CO[C@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000623808125 365180148 /nfs/dbraw/zinc/18/01/48/365180148.db2.gz DESRPRMJHMFPOQ-SAABIXHNSA-N 1 3 317.477 2.484 20 0 DEADHO C[N@@H+]1CCCC[C@H](CNC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000628750125 366952218 /nfs/dbraw/zinc/95/22/18/366952218.db2.gz NVXMOHJGMLYPHB-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO C[N@H+]1CCCC[C@H](CNC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000628750125 366952221 /nfs/dbraw/zinc/95/22/21/366952221.db2.gz NVXMOHJGMLYPHB-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)(C)c1nc(CC[NH2+]C[C@H](O)CN2CCCC2)cs1 ZINC000629574867 367257173 /nfs/dbraw/zinc/25/71/73/367257173.db2.gz LHTNTAIOYFENHQ-AWEZNQCLSA-N 1 3 311.495 2.029 20 0 DEADHO COCc1ccc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)o1 ZINC000629650202 367285268 /nfs/dbraw/zinc/28/52/68/367285268.db2.gz QOWHGOVJJBNVAO-VBQJREDUSA-N 1 3 308.422 2.144 20 0 DEADHO CN(CC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)C1CCC1 ZINC000629965522 367404112 /nfs/dbraw/zinc/40/41/12/367404112.db2.gz VRHZGDZIGWZLQW-SFHVURJKSA-N 1 3 315.461 2.204 20 0 DEADHO CN(CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)C1CCC1 ZINC000629965522 367404118 /nfs/dbraw/zinc/40/41/18/367404118.db2.gz VRHZGDZIGWZLQW-SFHVURJKSA-N 1 3 315.461 2.204 20 0 DEADHO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CN(C)C1CCC1 ZINC000629977593 367413960 /nfs/dbraw/zinc/41/39/60/367413960.db2.gz GCWUCHPMZYSOBU-OAHLLOKOSA-N 1 3 303.450 2.107 20 0 DEADHO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CN(C)C1CCC1 ZINC000629977593 367413963 /nfs/dbraw/zinc/41/39/63/367413963.db2.gz GCWUCHPMZYSOBU-OAHLLOKOSA-N 1 3 303.450 2.107 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H]1CN1CCN(CC(C)(C)O)C[C@@H]1C ZINC000450810422 242252031 /nfs/dbraw/zinc/25/20/31/242252031.db2.gz MMAJEQWJZDUHRI-IRXDYDNUSA-N 1 3 311.514 2.026 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H]1CN1CCN(CC(C)(C)O)C[C@@H]1C ZINC000450810422 242252040 /nfs/dbraw/zinc/25/20/40/242252040.db2.gz MMAJEQWJZDUHRI-IRXDYDNUSA-N 1 3 311.514 2.026 20 0 DEADHO O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@H](N2CCCC2)C1 ZINC000372968135 296103603 /nfs/dbraw/zinc/10/36/03/296103603.db2.gz XVTGYAJWBXMLAL-ZWKOTPCHSA-N 1 3 319.493 2.480 20 0 DEADHO O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CC[C@H](N2CCCC2)C1 ZINC000372968135 296103604 /nfs/dbraw/zinc/10/36/04/296103604.db2.gz XVTGYAJWBXMLAL-ZWKOTPCHSA-N 1 3 319.493 2.480 20 0 DEADHO CN1CCN(CCCC[NH2+][C@H]2CCCc3ncccc32)CC1 ZINC000631565842 368289338 /nfs/dbraw/zinc/28/93/38/368289338.db2.gz JGPJCWFNOFYIJH-KRWDZBQOSA-N 1 3 302.466 2.076 20 0 DEADHO NCc1cn([C@@H]2CC[N@H+](Cc3csc4ccccc34)C2)nn1 ZINC000631846396 368423084 /nfs/dbraw/zinc/42/30/84/368423084.db2.gz YKJRJTHBDSVFIX-CQSZACIVSA-N 1 3 313.430 2.399 20 0 DEADHO NCc1cn([C@@H]2CC[N@@H+](Cc3csc4ccccc34)C2)nn1 ZINC000631846396 368423085 /nfs/dbraw/zinc/42/30/85/368423085.db2.gz YKJRJTHBDSVFIX-CQSZACIVSA-N 1 3 313.430 2.399 20 0 DEADHO O=C(CC[C@@H]1CC[NH2+]C1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000261539804 203075887 /nfs/dbraw/zinc/07/58/87/203075887.db2.gz DEUYTWGCNOOYMA-AEFFLSMTSA-N 1 3 315.461 2.157 20 0 DEADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000261643493 203086044 /nfs/dbraw/zinc/08/60/44/203086044.db2.gz CUKHFDXEYZOBTM-OKZBNKHCSA-N 1 3 315.461 2.285 20 0 DEADHO CN(C)CCN(Cc1ccccc1F)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261684819 203093001 /nfs/dbraw/zinc/09/30/01/203093001.db2.gz DNCDWRNMYIMBOH-WMLDXEAASA-N 1 3 321.440 2.233 20 0 DEADHO N[C@@H](CC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000261854699 203134792 /nfs/dbraw/zinc/13/47/92/203134792.db2.gz FAPGXTPIDOLQRW-IRXDYDNUSA-N 1 3 301.434 2.163 20 0 DEADHO CCC[C@](C)([NH3+])C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000262095200 203196772 /nfs/dbraw/zinc/19/67/72/203196772.db2.gz BHKMBIKFHPEMLL-KYJSFNMBSA-N 1 3 303.450 2.283 20 0 DEADHO C[C@H]1C[C@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)CN1Cc1ccccc1 ZINC000262417593 203289494 /nfs/dbraw/zinc/28/94/94/203289494.db2.gz QAWRCSJAOYIYMD-LAQRGFTBSA-N 1 3 315.461 2.154 20 0 DEADHO C[C@@H]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000262624417 203354564 /nfs/dbraw/zinc/35/45/64/203354564.db2.gz ASTRPVKPPVEEST-NJAFHUGGSA-N 1 3 315.461 2.237 20 0 DEADHO CCC[C@H](N)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000262640818 203362433 /nfs/dbraw/zinc/36/24/33/203362433.db2.gz KOKQMAHHOABVHB-AWEZNQCLSA-N 1 3 304.438 2.259 20 0 DEADHO C[C@H]([NH2+]C[C@]1(O)CCSC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274979709 212055737 /nfs/dbraw/zinc/05/57/37/212055737.db2.gz ZARUDFHVHIKKTM-RYQLBKOJSA-N 1 3 320.502 2.355 20 0 DEADHO CCOc1ccccc1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282451617 217005703 /nfs/dbraw/zinc/00/57/03/217005703.db2.gz SKRXGNRGFYMNPF-UHFFFAOYSA-N 1 3 305.466 2.201 20 0 DEADHO CCc1ccc([C@H](CNC(=O)/C=C/C[NH+](C)C)N(C)C)cc1 ZINC000264621018 204032946 /nfs/dbraw/zinc/03/29/46/204032946.db2.gz KXJOTMUGBHDKOK-OZSKJFCKSA-N 1 3 303.450 2.086 20 0 DEADHO COc1ccccc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530248690 284385389 /nfs/dbraw/zinc/38/53/89/284385389.db2.gz OFVUYXCSJHBGCO-KRWDZBQOSA-N 1 3 304.434 2.286 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NCCCCC[NH+]2CCCC2)CN1C1CC1 ZINC000454645428 246025287 /nfs/dbraw/zinc/02/52/87/246025287.db2.gz BHFNUPDANXQHGL-CVEARBPZSA-N 1 3 322.497 2.177 20 0 DEADHO CCOC[C@H](O)CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000267493356 206104949 /nfs/dbraw/zinc/10/49/49/206104949.db2.gz OZBXTASBCNKGRV-QXAKKESOSA-N 1 3 320.477 2.369 20 0 DEADHO CCOC[C@H](O)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000267493356 206104954 /nfs/dbraw/zinc/10/49/54/206104954.db2.gz OZBXTASBCNKGRV-QXAKKESOSA-N 1 3 320.477 2.369 20 0 DEADHO C[C@@H](NCCF)[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001422353275 1172510447 /nfs/dbraw/zinc/51/04/47/1172510447.db2.gz KOMBJHXPZXUZLI-KGLIPLIRSA-N 1 3 301.450 2.093 20 0 DEADHO C[C@@H](NCCF)[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001422353275 1172510453 /nfs/dbraw/zinc/51/04/53/1172510453.db2.gz KOMBJHXPZXUZLI-KGLIPLIRSA-N 1 3 301.450 2.093 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)N2CCN(C3CCCC3)CC2)CC1 ZINC000043168279 183342921 /nfs/dbraw/zinc/34/29/21/183342921.db2.gz TUGUURDXPNHGDF-UHFFFAOYSA-N 1 3 322.497 2.129 20 0 DEADHO COC1([C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)CCCCC1 ZINC000421818553 284739087 /nfs/dbraw/zinc/73/90/87/284739087.db2.gz BKVOFUUDJSNZOX-MRXNPFEDSA-N 1 3 311.514 2.340 20 0 DEADHO CCC[NH+]1CCC(N(C)C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000066176638 184395576 /nfs/dbraw/zinc/39/55/76/184395576.db2.gz ZXDDXYZJFBCBHU-UHFFFAOYSA-N 1 3 322.497 2.129 20 0 DEADHO CC[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(F)cn1 ZINC000538709401 285051461 /nfs/dbraw/zinc/05/14/61/285051461.db2.gz GJPDEGVAKJEPNM-MRXNPFEDSA-N 1 3 308.445 2.289 20 0 DEADHO C[NH2+][C@H]1CCN(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)C1 ZINC000417707003 533031772 /nfs/dbraw/zinc/03/17/72/533031772.db2.gz PTWLWBJXHVWHDT-HOCLYGCPSA-N 1 3 318.465 2.119 20 0 DEADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H](C)NC1CC1 ZINC000294946603 285099079 /nfs/dbraw/zinc/09/90/79/285099079.db2.gz FBJMSPDZIDSRTO-AWEZNQCLSA-N 1 3 303.450 2.237 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@H](C[NH3+])C2CCCCC2)c1 ZINC000155649634 197075211 /nfs/dbraw/zinc/07/52/11/197075211.db2.gz OGQUWQMWUOPPMU-QGZVFWFLSA-N 1 3 303.450 2.386 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000155575950 197068182 /nfs/dbraw/zinc/06/81/82/197068182.db2.gz MQBDCFFXVKLJAT-LSDHHAIUSA-N 1 3 319.449 2.092 20 0 DEADHO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443056863 533176345 /nfs/dbraw/zinc/17/63/45/533176345.db2.gz DOMKZTFMFFDCQT-GJZGRUSLSA-N 1 3 321.440 2.233 20 0 DEADHO OC1(C[NH2+]C2CCN(CC3CCCCC3)CC2)CCOCC1 ZINC000378169632 285239229 /nfs/dbraw/zinc/23/92/29/285239229.db2.gz PMKYLYDTHKJIOJ-UHFFFAOYSA-N 1 3 310.482 2.162 20 0 DEADHO OC1(CNC2CC[NH+](CC3CCCCC3)CC2)CCOCC1 ZINC000378169632 285239231 /nfs/dbraw/zinc/23/92/31/285239231.db2.gz PMKYLYDTHKJIOJ-UHFFFAOYSA-N 1 3 310.482 2.162 20 0 DEADHO C[C@@H]1C[N@H+](CCCNCc2[nH]nc3ccccc32)CCCO1 ZINC000683344608 542433895 /nfs/dbraw/zinc/43/38/95/542433895.db2.gz ZBBQWNFNGJMRHU-CQSZACIVSA-N 1 3 302.422 2.153 20 0 DEADHO C[C@@H]1C[N@@H+](CCCNCc2[nH]nc3ccccc32)CCCO1 ZINC000683344608 542433898 /nfs/dbraw/zinc/43/38/98/542433898.db2.gz ZBBQWNFNGJMRHU-CQSZACIVSA-N 1 3 302.422 2.153 20 0 DEADHO C[C@@H]1CN(CCC[NH2+]Cc2[nH]nc3ccccc32)CCCO1 ZINC000683344608 542433901 /nfs/dbraw/zinc/43/39/01/542433901.db2.gz ZBBQWNFNGJMRHU-CQSZACIVSA-N 1 3 302.422 2.153 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)C(C)(F)F ZINC000339655351 285247826 /nfs/dbraw/zinc/24/78/26/285247826.db2.gz MFONOMRYVIZWST-UONOGXRCSA-N 1 3 319.440 2.152 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)C(C)(F)F ZINC000339655351 285247828 /nfs/dbraw/zinc/24/78/28/285247828.db2.gz MFONOMRYVIZWST-UONOGXRCSA-N 1 3 319.440 2.152 20 0 DEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)CCCC[NH+](C)C ZINC000560601712 291942830 /nfs/dbraw/zinc/94/28/30/291942830.db2.gz FEZVONGFUFZYMN-UHFFFAOYSA-N 1 3 323.456 2.448 20 0 DEADHO CN1CCC(N2CC[C@H]([NH2+]Cc3ccc4cnccc4c3)C2)CC1 ZINC000683768530 542494089 /nfs/dbraw/zinc/49/40/89/542494089.db2.gz FZQNVTFZCKRRDA-IBGZPJMESA-N 1 3 324.472 2.493 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000289851103 221267298 /nfs/dbraw/zinc/26/72/98/221267298.db2.gz CEHHTKVVOVLAHS-SQNIBIBYSA-N 1 3 315.461 2.155 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000289851098 221267342 /nfs/dbraw/zinc/26/73/42/221267342.db2.gz CEHHTKVVOVLAHS-KURKYZTESA-N 1 3 315.461 2.155 20 0 DEADHO CC[N@@H+]1CC[C@H](NC[C@]2(CO)C[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000289884156 221290970 /nfs/dbraw/zinc/29/09/70/221290970.db2.gz SFFXNGRHZIOPDL-WNHJNPCNSA-N 1 3 302.462 2.473 20 0 DEADHO CC[N@H+]1CC[C@H](NC[C@]2(CO)C[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000289884156 221290973 /nfs/dbraw/zinc/29/09/73/221290973.db2.gz SFFXNGRHZIOPDL-WNHJNPCNSA-N 1 3 302.462 2.473 20 0 DEADHO C[C@@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)C1CNC1 ZINC000422716870 533338768 /nfs/dbraw/zinc/33/87/68/533338768.db2.gz KDUUSHPOKIRMLL-GFCCVEGCSA-N 1 3 309.404 2.127 20 0 DEADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@H]1CCCCN1 ZINC000422988467 533368537 /nfs/dbraw/zinc/36/85/37/533368537.db2.gz KPTXBWGODWEZBC-CRAIPNDOSA-N 1 3 302.466 2.418 20 0 DEADHO COc1ccc(C2(C[NH2+][C@@H](C)C[C@H](C)N)CCOCC2)cc1 ZINC000422901565 533425847 /nfs/dbraw/zinc/42/58/47/533425847.db2.gz SCFSIIBSNDHNBS-GJZGRUSLSA-N 1 3 306.450 2.459 20 0 DEADHO COc1ccc(C2(CN[C@@H](C)C[C@H](C)[NH3+])CCOCC2)cc1 ZINC000422901565 533425850 /nfs/dbraw/zinc/42/58/50/533425850.db2.gz SCFSIIBSNDHNBS-GJZGRUSLSA-N 1 3 306.450 2.459 20 0 DEADHO COc1ccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)N)CCC2)cc1 ZINC000423035606 533426070 /nfs/dbraw/zinc/42/60/70/533426070.db2.gz RZNMCMINDGWIBU-BMGDILEWSA-N 1 3 318.461 2.459 20 0 DEADHO COc1ccc(C2(CN[C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])CCC2)cc1 ZINC000423035606 533426074 /nfs/dbraw/zinc/42/60/74/533426074.db2.gz RZNMCMINDGWIBU-BMGDILEWSA-N 1 3 318.461 2.459 20 0 DEADHO COc1ccc(C2(C[NH2+][C@H](C)C[C@H](C)N)CCOCC2)cc1 ZINC000422901567 533426423 /nfs/dbraw/zinc/42/64/23/533426423.db2.gz SCFSIIBSNDHNBS-LSDHHAIUSA-N 1 3 306.450 2.459 20 0 DEADHO COc1ccc(C2(CN[C@H](C)C[C@H](C)[NH3+])CCOCC2)cc1 ZINC000422901567 533426426 /nfs/dbraw/zinc/42/64/26/533426426.db2.gz SCFSIIBSNDHNBS-LSDHHAIUSA-N 1 3 306.450 2.459 20 0 DEADHO COc1ccc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000422717319 533499790 /nfs/dbraw/zinc/49/97/90/533499790.db2.gz VKIVPENMHANUPC-USXIJHARSA-N 1 3 322.424 2.124 20 0 DEADHO COc1cccc(N2CC[C@H]([NH2+][C@H](C)[C@@H]3CCCCN3)C2)c1 ZINC000422701486 533588305 /nfs/dbraw/zinc/58/83/05/533588305.db2.gz BZSDGDTUXJFEPO-VKJFTORMSA-N 1 3 303.450 2.394 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NCC(C)(C)[NH3+])CCN1Cc1ccccc1 ZINC000417835120 533615225 /nfs/dbraw/zinc/61/52/25/533615225.db2.gz KNGBOERNYPAKTO-ZBFHGGJFSA-N 1 3 318.465 2.076 20 0 DEADHO CN1CCN(CC[NH2+]Cc2ccc3cnccc3c2)CC1(C)C ZINC000685042964 542703340 /nfs/dbraw/zinc/70/33/40/542703340.db2.gz PQEZWXKCDYDFRG-UHFFFAOYSA-N 1 3 312.461 2.350 20 0 DEADHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1[nH]nc2ccccc21 ZINC000685454655 542726353 /nfs/dbraw/zinc/72/63/53/542726353.db2.gz MXLKPEYYRTUKLP-UHFFFAOYSA-N 1 3 315.465 2.021 20 0 DEADHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1[nH]nc2ccccc21 ZINC000685454655 542726355 /nfs/dbraw/zinc/72/63/55/542726355.db2.gz MXLKPEYYRTUKLP-UHFFFAOYSA-N 1 3 315.465 2.021 20 0 DEADHO C[C@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1=CCN(C)CC1 ZINC000358087384 133120287 /nfs/dbraw/zinc/12/02/87/133120287.db2.gz DMPWLMQTBHQXFP-GOEBONIOSA-N 1 3 324.513 2.302 20 0 DEADHO C[C@H]1C[N@H+](C)C[C@H]1c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000359925834 133153542 /nfs/dbraw/zinc/15/35/42/133153542.db2.gz SRSATVCEKHBDDY-SWLSCSKDSA-N 1 3 300.406 2.463 20 0 DEADHO C[C@H]1C[N@@H+](C)C[C@H]1c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000359925834 133153543 /nfs/dbraw/zinc/15/35/43/133153543.db2.gz SRSATVCEKHBDDY-SWLSCSKDSA-N 1 3 300.406 2.463 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(CCN(C)C)C1CCCC1 ZINC000360127309 133164244 /nfs/dbraw/zinc/16/42/44/133164244.db2.gz YNFBCTSKFPXIPE-OAHLLOKOSA-N 1 3 312.502 2.231 20 0 DEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(CCN(C)C)C1CCCC1 ZINC000360127309 133164245 /nfs/dbraw/zinc/16/42/45/133164245.db2.gz YNFBCTSKFPXIPE-OAHLLOKOSA-N 1 3 312.502 2.231 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000360135104 133164721 /nfs/dbraw/zinc/16/47/21/133164721.db2.gz IFCQPCSMNYMVJV-MRXNPFEDSA-N 1 3 312.502 2.233 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000360135104 133164722 /nfs/dbraw/zinc/16/47/22/133164722.db2.gz IFCQPCSMNYMVJV-MRXNPFEDSA-N 1 3 312.502 2.233 20 0 DEADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000562962740 292019844 /nfs/dbraw/zinc/01/98/44/292019844.db2.gz REJODZOHMRNWDZ-KANFNMMFSA-N 1 3 317.477 2.135 20 0 DEADHO CS[C@H]1CN(CCCCn2ccnc2C)C[C@H]1[NH+]1CCCC1 ZINC000362031011 133206455 /nfs/dbraw/zinc/20/64/55/133206455.db2.gz YLGOCKKAKHWJAJ-SJORKVTESA-N 1 3 322.522 2.483 20 0 DEADHO C[C@H]1CN(CCOc2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000362077054 133209754 /nfs/dbraw/zinc/20/97/54/133209754.db2.gz IFJVXBOTMILVLC-PKOBYXMFSA-N 1 3 317.477 2.023 20 0 DEADHO C[C@H]1C[N@H+](CCOc2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000362077054 133209755 /nfs/dbraw/zinc/20/97/55/133209755.db2.gz IFJVXBOTMILVLC-PKOBYXMFSA-N 1 3 317.477 2.023 20 0 DEADHO C[C@H]1C[N@@H+](CCOc2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000362077054 133209756 /nfs/dbraw/zinc/20/97/56/133209756.db2.gz IFJVXBOTMILVLC-PKOBYXMFSA-N 1 3 317.477 2.023 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CCC(CC)(CC)CC2)CC1 ZINC000362610121 133241526 /nfs/dbraw/zinc/24/15/26/133241526.db2.gz ZJGDMVIWWIVCLM-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000362746603 133249081 /nfs/dbraw/zinc/24/90/81/133249081.db2.gz JDWGXYKOLDFBKR-HLLBOEOZSA-N 1 3 317.477 2.430 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000362746603 133249082 /nfs/dbraw/zinc/24/90/82/133249082.db2.gz JDWGXYKOLDFBKR-HLLBOEOZSA-N 1 3 317.477 2.430 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000362746606 133249097 /nfs/dbraw/zinc/24/90/97/133249097.db2.gz JDWGXYKOLDFBKR-ZOBUZTSGSA-N 1 3 317.477 2.430 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000362746606 133249098 /nfs/dbraw/zinc/24/90/98/133249098.db2.gz JDWGXYKOLDFBKR-ZOBUZTSGSA-N 1 3 317.477 2.430 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)C(C)(C)C3CC3)CC2)CC1 ZINC000376761920 133306940 /nfs/dbraw/zinc/30/69/40/133306940.db2.gz XVQIHIGZWCBGSH-UHFFFAOYSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1cccc(CN2CCCC[C@@H]2C(=O)N2CC[C@H](C[NH3+])C2)c1 ZINC000377125357 133319162 /nfs/dbraw/zinc/31/91/62/133319162.db2.gz FHUAPDMDXSVLNQ-QZTJIDSGSA-N 1 3 315.461 2.157 20 0 DEADHO C[C@@H](CNC(=O)[C@@H]1CCCCN1C1CCCC1)[N@H+](C)C1CC1 ZINC000373038041 133375474 /nfs/dbraw/zinc/37/54/74/133375474.db2.gz ZDQLCRHKUJIHGW-YOEHRIQHSA-N 1 3 307.482 2.382 20 0 DEADHO C[C@@H](CNC(=O)[C@@H]1CCCCN1C1CCCC1)[N@@H+](C)C1CC1 ZINC000373038041 133375475 /nfs/dbraw/zinc/37/54/75/133375475.db2.gz ZDQLCRHKUJIHGW-YOEHRIQHSA-N 1 3 307.482 2.382 20 0 DEADHO CC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1 ZINC000563336595 292047145 /nfs/dbraw/zinc/04/71/45/292047145.db2.gz ZSDNIXCRABENOQ-QGZVFWFLSA-N 1 3 320.481 2.273 20 0 DEADHO CN(C)CC1(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000563396660 292053132 /nfs/dbraw/zinc/05/31/32/292053132.db2.gz ALKWXTNRSGXZEL-QGZVFWFLSA-N 1 3 315.461 2.109 20 0 DEADHO CN(C)CC1(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000563396660 292053134 /nfs/dbraw/zinc/05/31/34/292053134.db2.gz ALKWXTNRSGXZEL-QGZVFWFLSA-N 1 3 315.461 2.109 20 0 DEADHO CCc1noc(-c2ccc(CC[NH2+]C3CCNCC3)cc2)n1 ZINC000563445862 292057841 /nfs/dbraw/zinc/05/78/41/292057841.db2.gz ILACTVDXLFHOHS-UHFFFAOYSA-N 1 3 300.406 2.183 20 0 DEADHO CCc1noc(-c2ccc(CCNC3CC[NH2+]CC3)cc2)n1 ZINC000563445862 292057842 /nfs/dbraw/zinc/05/78/42/292057842.db2.gz ILACTVDXLFHOHS-UHFFFAOYSA-N 1 3 300.406 2.183 20 0 DEADHO CC[NH2+]CCCNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000563580411 292063601 /nfs/dbraw/zinc/06/36/01/292063601.db2.gz BBIWTZCFVPCCLG-NVXWUHKLSA-N 1 3 318.465 2.121 20 0 DEADHO C[C@H](C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)[C@@H](N)c1ccccc1 ZINC000563875205 292077771 /nfs/dbraw/zinc/07/77/71/292077771.db2.gz XKZKGKWPYGCUNT-DZOHQFGASA-N 1 3 315.461 2.313 20 0 DEADHO C[C@H](NC(=O)N(C)CCC[NH+](C)C)[C@@H](c1ccccc1)N(C)C ZINC000563932934 292080354 /nfs/dbraw/zinc/08/03/54/292080354.db2.gz ARNIQLUTFXXNJG-RDJZCZTQSA-N 1 3 320.481 2.271 20 0 DEADHO CC(=O)N1C[C@@H]2CCC[C@H](N[C@@H]3C[C@H]([NH3+])c4ccccc43)[C@H]2C1 ZINC000564823709 292113081 /nfs/dbraw/zinc/11/30/81/292113081.db2.gz YRGQEHPNFIGQTI-AUEKSGIPSA-N 1 3 313.445 2.368 20 0 DEADHO C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCCN1CCCC1 ZINC000247978921 145146362 /nfs/dbraw/zinc/14/63/62/145146362.db2.gz LXQHPWOEHXFFEG-PKOBYXMFSA-N 1 3 316.493 2.368 20 0 DEADHO C[NH2+]C[C@](C)(O)CN1CCC[C@]2(CCCc3ccccc32)C1 ZINC000565094305 292133430 /nfs/dbraw/zinc/13/34/30/292133430.db2.gz ZURNKAHMEIECEX-RBUKOAKNSA-N 1 3 302.462 2.327 20 0 DEADHO CNC[C@](C)(O)C[N@@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000565094305 292133431 /nfs/dbraw/zinc/13/34/31/292133431.db2.gz ZURNKAHMEIECEX-RBUKOAKNSA-N 1 3 302.462 2.327 20 0 DEADHO CNC[C@](C)(O)C[N@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000565094305 292133432 /nfs/dbraw/zinc/13/34/32/292133432.db2.gz ZURNKAHMEIECEX-RBUKOAKNSA-N 1 3 302.462 2.327 20 0 DEADHO NC1(C[NH2+]Cc2ccc(I)cc2)CCC1 ZINC000261565632 145207980 /nfs/dbraw/zinc/20/79/80/145207980.db2.gz DCAFTOQZWQMEIB-UHFFFAOYSA-N 1 3 316.186 2.262 20 0 DEADHO Cn1cc(-c2ccc(CN3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)s2)cn1 ZINC000261784012 145225507 /nfs/dbraw/zinc/22/55/07/145225507.db2.gz FRGBUJYBVIQIKQ-TUKIKUTGSA-N 1 3 302.447 2.318 20 0 DEADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000261831571 145231970 /nfs/dbraw/zinc/23/19/70/145231970.db2.gz OJASUYLWDCQZJO-WBVHZDCISA-N 1 3 315.461 2.094 20 0 DEADHO O=C(NC1CCCCC1)C1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000261924059 145242492 /nfs/dbraw/zinc/24/24/92/145242492.db2.gz KURRGOYDZNORJV-HNNXBMFYSA-N 1 3 307.482 2.147 20 0 DEADHO CCCc1cccc(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000261989279 145250698 /nfs/dbraw/zinc/25/06/98/145250698.db2.gz KBSHHDQRRFTONH-GOSISDBHSA-N 1 3 317.477 2.459 20 0 DEADHO [NH3+]CC1CCN(Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000262017393 145253731 /nfs/dbraw/zinc/25/37/31/145253731.db2.gz VUWZZUAQOALTMY-UHFFFAOYSA-N 1 3 305.813 2.091 20 0 DEADHO Cc1nc2ccc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)cc2s1 ZINC000262168389 145267452 /nfs/dbraw/zinc/26/74/52/145267452.db2.gz UPSZYPSWETZCEZ-OAHLLOKOSA-N 1 3 316.474 2.084 20 0 DEADHO [NH3+][C@@H]1CC[C@H]2CN(CCCc3nc(-c4cccs4)no3)C[C@H]12 ZINC000319483642 145372249 /nfs/dbraw/zinc/37/22/49/145372249.db2.gz UWDFTODBILKBCU-RWMBFGLXSA-N 1 3 318.446 2.400 20 0 DEADHO COc1ccc(-c2n[nH]cc2CN2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000346690580 146124700 /nfs/dbraw/zinc/12/47/00/146124700.db2.gz UDQDUMNLPGBQOT-QWHCGFSZSA-N 1 3 300.406 2.254 20 0 DEADHO COc1ccc(CCN[C@@H]2CCC[C@H]([NH3+])C2)c(OC)c1OC ZINC000565224997 292148670 /nfs/dbraw/zinc/14/86/70/292148670.db2.gz AWORQCCHSNSOJA-UONOGXRCSA-N 1 3 308.422 2.114 20 0 DEADHO COc1ccc(CC[NH2+][C@@H]2CCC[C@H](N)C2)c(OC)c1OC ZINC000565224997 292148672 /nfs/dbraw/zinc/14/86/72/292148672.db2.gz AWORQCCHSNSOJA-UONOGXRCSA-N 1 3 308.422 2.114 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000348567799 146287892 /nfs/dbraw/zinc/28/78/92/146287892.db2.gz FMGDDNXYOZQVOZ-YESZJQIVSA-N 1 3 324.513 2.423 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000348567799 146287893 /nfs/dbraw/zinc/28/78/93/146287893.db2.gz FMGDDNXYOZQVOZ-YESZJQIVSA-N 1 3 324.513 2.423 20 0 DEADHO CN1CC[NH+](CC2CCN(C/C=C/c3ccncc3)CC2)CC1 ZINC000349038621 146343185 /nfs/dbraw/zinc/34/31/85/146343185.db2.gz VUQHTXGZKWEXGK-NSCUHMNNSA-N 1 3 314.477 2.054 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(C/C=C\c1ccncc1)CCN(C)C ZINC000349063132 146346203 /nfs/dbraw/zinc/34/62/03/146346203.db2.gz PIWJQBDFNIFHNO-SUOMESGTSA-N 1 3 316.493 2.443 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(C/C=C\c1ccncc1)CCN(C)C ZINC000349063132 146346204 /nfs/dbraw/zinc/34/62/04/146346204.db2.gz PIWJQBDFNIFHNO-SUOMESGTSA-N 1 3 316.493 2.443 20 0 DEADHO Cc1cc(CNCCOCC[NH+](C)C)sc1Br ZINC000349221633 146360491 /nfs/dbraw/zinc/36/04/91/146360491.db2.gz WIGZYQUYQCHRKG-UHFFFAOYSA-N 1 3 321.284 2.487 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C)[C@H](O)C2)CC1 ZINC000349411478 146376137 /nfs/dbraw/zinc/37/61/37/146376137.db2.gz XLWJTYHZKTZXBA-VQIMIIECSA-N 1 3 317.477 2.031 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](C)[C@H](O)C2)CC1 ZINC000349411478 146376138 /nfs/dbraw/zinc/37/61/38/146376138.db2.gz XLWJTYHZKTZXBA-VQIMIIECSA-N 1 3 317.477 2.031 20 0 DEADHO FC(F)(F)CCN1CCC([NH2+]CCCN2CCCC2)CC1 ZINC000356876412 146994110 /nfs/dbraw/zinc/99/41/10/146994110.db2.gz RJBWDNDKFLQECH-UHFFFAOYSA-N 1 3 307.404 2.479 20 0 DEADHO c1[nH]nc(-c2cccnc2)c1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357051874 147031551 /nfs/dbraw/zinc/03/15/51/147031551.db2.gz NGQXOVCJMNVQIH-HNNXBMFYSA-N 1 3 311.433 2.293 20 0 DEADHO c1ccc(OCCOCCN2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000357092842 147040708 /nfs/dbraw/zinc/04/07/08/147040708.db2.gz XSLIOQIWTKEKBR-GOSISDBHSA-N 1 3 318.461 2.404 20 0 DEADHO CNC(=O)[C@@H]1CCC[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000358252218 147101490 /nfs/dbraw/zinc/10/14/90/147101490.db2.gz SILKPFJTVPNLIK-SJORKVTESA-N 1 3 307.482 2.288 20 0 DEADHO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000358252218 147101492 /nfs/dbraw/zinc/10/14/92/147101492.db2.gz SILKPFJTVPNLIK-SJORKVTESA-N 1 3 307.482 2.288 20 0 DEADHO CCCN1CCC[C@H]1CNC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000358318278 147112597 /nfs/dbraw/zinc/11/25/97/147112597.db2.gz VYACFVDMRBJQEL-INIZCTEOSA-N 1 3 310.486 2.033 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)N(CCN(C)C)CC(C)C ZINC000358320273 147113126 /nfs/dbraw/zinc/11/31/26/147113126.db2.gz ZRNDPIMBHUOTPJ-MRXNPFEDSA-N 1 3 312.502 2.090 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)N(CCN(C)C)CC(C)C ZINC000358320273 147113127 /nfs/dbraw/zinc/11/31/27/147113127.db2.gz ZRNDPIMBHUOTPJ-MRXNPFEDSA-N 1 3 312.502 2.090 20 0 DEADHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)C1=CC[N@H+](C)CC1 ZINC000358407828 147127629 /nfs/dbraw/zinc/12/76/29/147127629.db2.gz VXONYSACGYFVTJ-CQSZACIVSA-N 1 3 301.434 2.128 20 0 DEADHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)C1=CC[N@@H+](C)CC1 ZINC000358407828 147127630 /nfs/dbraw/zinc/12/76/30/147127630.db2.gz VXONYSACGYFVTJ-CQSZACIVSA-N 1 3 301.434 2.128 20 0 DEADHO NC[C@@H](C(=O)NCC1([NH3+])CCCCCC1)c1ccc(F)cc1 ZINC000358743744 147194518 /nfs/dbraw/zinc/19/45/18/147194518.db2.gz NBMAUYAGIKORKF-OAHLLOKOSA-N 1 3 307.413 2.036 20 0 DEADHO CC[C@H](C(N)=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000370649250 148039930 /nfs/dbraw/zinc/03/99/30/148039930.db2.gz CTEKLKHDBCQJIE-QGZVFWFLSA-N 1 3 315.461 2.238 20 0 DEADHO CC[C@H](C(N)=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000370649250 148039931 /nfs/dbraw/zinc/03/99/31/148039931.db2.gz CTEKLKHDBCQJIE-QGZVFWFLSA-N 1 3 315.461 2.238 20 0 DEADHO C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@H](N)c1ccccc1 ZINC000565940729 292192378 /nfs/dbraw/zinc/19/23/78/292192378.db2.gz PSASWOMHXFMEAI-FZDIXFNVSA-N 1 3 323.440 2.194 20 0 DEADHO CC1(CN[C@@H](c2nnc[nH]2)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000566092500 292204328 /nfs/dbraw/zinc/20/43/28/292204328.db2.gz CAXFTWODUCGEIC-CQSZACIVSA-N 1 3 303.385 2.013 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000074181259 401732552 /nfs/dbraw/zinc/73/25/52/401732552.db2.gz NPDBXXSMDJGFQH-INIZCTEOSA-N 1 3 303.450 2.162 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000074181259 401732554 /nfs/dbraw/zinc/73/25/54/401732554.db2.gz NPDBXXSMDJGFQH-INIZCTEOSA-N 1 3 303.450 2.162 20 0 DEADHO COc1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000127654608 401743917 /nfs/dbraw/zinc/74/39/17/401743917.db2.gz MPCSRDHXAWUVLZ-HZPDHXFCSA-N 1 3 304.434 2.463 20 0 DEADHO COc1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000127654608 401743919 /nfs/dbraw/zinc/74/39/19/401743919.db2.gz MPCSRDHXAWUVLZ-HZPDHXFCSA-N 1 3 304.434 2.463 20 0 DEADHO CCC(CC)[C@H](CNC(=O)NC1CCN(C)CC1)[NH+]1CCCC1 ZINC000126443104 401694681 /nfs/dbraw/zinc/69/46/81/401694681.db2.gz OXJQKSKUHAQTFN-KRWDZBQOSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H](NCCC[N@@H+]1CCCN(C)CC1)c1cccnc1Cl ZINC000128328788 401772580 /nfs/dbraw/zinc/77/25/80/401772580.db2.gz LRDSDHHRNHUSMC-CQSZACIVSA-N 1 3 310.873 2.413 20 0 DEADHO C[C@@H](NCCC[N@H+]1CCCN(C)CC1)c1cccnc1Cl ZINC000128328788 401772584 /nfs/dbraw/zinc/77/25/84/401772584.db2.gz LRDSDHHRNHUSMC-CQSZACIVSA-N 1 3 310.873 2.413 20 0 DEADHO C[C@@H](NCCCN1CCC[N@H+](C)CC1)c1cccnc1Cl ZINC000128328788 401772585 /nfs/dbraw/zinc/77/25/85/401772585.db2.gz LRDSDHHRNHUSMC-CQSZACIVSA-N 1 3 310.873 2.413 20 0 DEADHO C[C@@H](NCCCN1CCC[N@@H+](C)CC1)c1cccnc1Cl ZINC000128328788 401772588 /nfs/dbraw/zinc/77/25/88/401772588.db2.gz LRDSDHHRNHUSMC-CQSZACIVSA-N 1 3 310.873 2.413 20 0 DEADHO C[C@H]1CN(CC2CC[NH+](CCc3ccccn3)CC2)C[C@H](C)O1 ZINC000077482827 401816781 /nfs/dbraw/zinc/81/67/81/401816781.db2.gz CDEWXIFCJQRPAJ-IRXDYDNUSA-N 1 3 317.477 2.445 20 0 DEADHO C[C@@H]1CN(CC2CC[NH+](CCc3ccccn3)CC2)C[C@H](C)O1 ZINC000077482826 401816842 /nfs/dbraw/zinc/81/68/42/401816842.db2.gz CDEWXIFCJQRPAJ-CALCHBBNSA-N 1 3 317.477 2.445 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1(CC)CC1 ZINC000079130074 401870796 /nfs/dbraw/zinc/87/07/96/401870796.db2.gz IZCCIPJIWORFLA-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1(CC)CC1 ZINC000079130074 401870797 /nfs/dbraw/zinc/87/07/97/401870797.db2.gz IZCCIPJIWORFLA-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO CC(C)[C@@H](C(=O)NC1CCN(Cc2ccsc2)CC1)[NH+](C)C ZINC000115444427 401828404 /nfs/dbraw/zinc/82/84/04/401828404.db2.gz OPVLPNGOSJMATR-INIZCTEOSA-N 1 3 323.506 2.415 20 0 DEADHO O=C(C[C@@H]1CC[NH2+]C1)NCC1CCN(Cc2cccs2)CC1 ZINC000130558421 401835682 /nfs/dbraw/zinc/83/56/82/401835682.db2.gz KCEURPICCNSUJT-HNNXBMFYSA-N 1 3 321.490 2.076 20 0 DEADHO C[NH+](C)CC[C@H](NC(=O)N1CC[C@@H](N2CCCC2)C1)C(C)(C)C ZINC000116567267 401854711 /nfs/dbraw/zinc/85/47/11/401854711.db2.gz BEWTWWCNIIYSOT-CVEARBPZSA-N 1 3 324.513 2.233 20 0 DEADHO CC[C@]1(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)CCC[NH2+]1 ZINC000134576906 401906867 /nfs/dbraw/zinc/90/68/67/401906867.db2.gz MTQYAGVZBYMEEV-FUHWJXTLSA-N 1 3 303.450 2.246 20 0 DEADHO CC(C)[NH+](CCNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C)C(C)C ZINC000085386850 401914955 /nfs/dbraw/zinc/91/49/55/401914955.db2.gz IKADLZVRNHCCEY-CVEARBPZSA-N 1 3 312.502 2.087 20 0 DEADHO CN(CCC[N@H+](C)[C@H](CO)C(C)(C)C)[C@@H](CO)C(C)(C)C ZINC000118970008 401915991 /nfs/dbraw/zinc/91/59/91/401915991.db2.gz BYJYQZXDOFZXGT-GASCZTMLSA-N 1 3 302.503 2.054 20 0 DEADHO CN(CCC[N@@H+](C)[C@H](CO)C(C)(C)C)[C@@H](CO)C(C)(C)C ZINC000118970008 401915992 /nfs/dbraw/zinc/91/59/92/401915992.db2.gz BYJYQZXDOFZXGT-GASCZTMLSA-N 1 3 302.503 2.054 20 0 DEADHO CN(CCC[N@H+](C)[C@@H](CO)C(C)(C)C)[C@H](CO)C(C)(C)C ZINC000118970008 401915993 /nfs/dbraw/zinc/91/59/93/401915993.db2.gz BYJYQZXDOFZXGT-GASCZTMLSA-N 1 3 302.503 2.054 20 0 DEADHO CN(CCC[N@@H+](C)[C@@H](CO)C(C)(C)C)[C@H](CO)C(C)(C)C ZINC000118970008 401915994 /nfs/dbraw/zinc/91/59/94/401915994.db2.gz BYJYQZXDOFZXGT-GASCZTMLSA-N 1 3 302.503 2.054 20 0 DEADHO CC(C)[NH+](CCNC(=O)NC1CCN(C2CC2)CC1)C(C)C ZINC000047683894 401987981 /nfs/dbraw/zinc/98/79/81/401987981.db2.gz JTBXLJOSZAVHTP-UHFFFAOYSA-N 1 3 310.486 2.031 20 0 DEADHO CN(C)CCOc1cc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)ccn1 ZINC000090937062 401988592 /nfs/dbraw/zinc/98/85/92/401988592.db2.gz OYZNOHCRGOTVHE-HNNXBMFYSA-N 1 3 321.465 2.458 20 0 DEADHO CN(C)CCOc1cc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)ccn1 ZINC000090937063 401988771 /nfs/dbraw/zinc/98/87/71/401988771.db2.gz OYZNOHCRGOTVHE-OAHLLOKOSA-N 1 3 321.465 2.458 20 0 DEADHO COc1ccc(CN2CCC(C[NH3+])CC2)cc1OC(F)F ZINC000044511870 401944430 /nfs/dbraw/zinc/94/44/30/401944430.db2.gz PQEODZFXYPHIKZ-UHFFFAOYSA-N 1 3 300.349 2.467 20 0 DEADHO CCN(CCNC(=O)NCCCC[NH+]1CCC(C)CC1)C1CC1 ZINC000101982082 402159601 /nfs/dbraw/zinc/15/96/01/402159601.db2.gz AMSWBHBPBNONPL-UHFFFAOYSA-N 1 3 324.513 2.282 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)N1CCCCC1 ZINC000566292782 292226185 /nfs/dbraw/zinc/22/61/85/292226185.db2.gz CEHZBXGUFORHEF-BRWVUGGUSA-N 1 3 309.498 2.378 20 0 DEADHO CC[C@H](C)[N@H+](C)CCNC(=O)N(CCN(C)C)C1CCCC1 ZINC000124172238 402167464 /nfs/dbraw/zinc/16/74/64/402167464.db2.gz NFUVTSBCIWZBCI-HNNXBMFYSA-N 1 3 312.502 2.233 20 0 DEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N(CCN(C)C)C1CCCC1 ZINC000124172238 402167467 /nfs/dbraw/zinc/16/74/67/402167467.db2.gz NFUVTSBCIWZBCI-HNNXBMFYSA-N 1 3 312.502 2.233 20 0 DEADHO CCCC[C@H](N)C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000154576850 402219571 /nfs/dbraw/zinc/21/95/71/402219571.db2.gz VYOKWLMMQNZNNU-INIZCTEOSA-N 1 3 307.438 2.473 20 0 DEADHO C[C@@H](CNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)N(C)C1CC1 ZINC000105126332 402205876 /nfs/dbraw/zinc/20/58/76/402205876.db2.gz XJOKXFYUUIRSLP-YOEHRIQHSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CCCN2CCCC2)C1 ZINC000220768422 402302283 /nfs/dbraw/zinc/30/22/83/402302283.db2.gz DDWKIQCCBKDDTC-OAHLLOKOSA-N 1 3 311.470 2.461 20 0 DEADHO CC(C)(C)OC(=O)N1CCC[C@@H](NCCC[NH+]2CCCC2)C1 ZINC000220768422 402302284 /nfs/dbraw/zinc/30/22/84/402302284.db2.gz DDWKIQCCBKDDTC-OAHLLOKOSA-N 1 3 311.470 2.461 20 0 DEADHO C[NH+](C)CCOCCNCc1cccc(Br)c1 ZINC000230004926 402345875 /nfs/dbraw/zinc/34/58/75/402345875.db2.gz KZVSBDGQYSTCAI-UHFFFAOYSA-N 1 3 301.228 2.117 20 0 DEADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)NC[C@H](C)N(C)C1CC1 ZINC000185373520 402347352 /nfs/dbraw/zinc/34/73/52/402347352.db2.gz YGUAHXQMJWHTRD-GJZGRUSLSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000185620168 402365290 /nfs/dbraw/zinc/36/52/90/402365290.db2.gz LLDKGVCYKYBEJW-XHSDSOJGSA-N 1 3 322.497 2.175 20 0 DEADHO CC1CCN([C@@H](CNC(=O)[C@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000236653170 402371754 /nfs/dbraw/zinc/37/17/54/402371754.db2.gz GVCUOIGQWPFXSM-MSOLQXFVSA-N 1 3 315.461 2.328 20 0 DEADHO CC(C)(C)[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000236693829 402375189 /nfs/dbraw/zinc/37/51/89/402375189.db2.gz ACQYVHJPDKVPPA-TZMCWYRMSA-N 1 3 309.479 2.375 20 0 DEADHO C[C@H](CNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1)N1CCC(C)CC1 ZINC000236723620 402378166 /nfs/dbraw/zinc/37/81/66/402378166.db2.gz PTVUKZVRSBEZEH-GVDBMIGSSA-N 1 3 309.498 2.249 20 0 DEADHO CCCC[C@H]([NH3+])C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000236788904 402382528 /nfs/dbraw/zinc/38/25/28/402382528.db2.gz VZRTWZKLOASADJ-KRWDZBQOSA-N 1 3 317.477 2.457 20 0 DEADHO CN1CCC[C@H]1CC[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000185194497 402332807 /nfs/dbraw/zinc/33/28/07/402332807.db2.gz GZSNOXIAXUCCPQ-GJZGRUSLSA-N 1 3 311.470 2.364 20 0 DEADHO C[N@@H+]1CCC[C@H]1CCN[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000185194497 402332810 /nfs/dbraw/zinc/33/28/10/402332810.db2.gz GZSNOXIAXUCCPQ-GJZGRUSLSA-N 1 3 311.470 2.364 20 0 DEADHO C[N@H+]1CCC[C@H]1CCN[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000185194497 402332814 /nfs/dbraw/zinc/33/28/14/402332814.db2.gz GZSNOXIAXUCCPQ-GJZGRUSLSA-N 1 3 311.470 2.364 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H](C)c2sccc2OC)CC1 ZINC000186106422 402401869 /nfs/dbraw/zinc/40/18/69/402401869.db2.gz SEQPLJQXTPURQB-CQSZACIVSA-N 1 3 311.495 2.435 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000345034448 296644245 /nfs/dbraw/zinc/64/42/45/296644245.db2.gz JGMIVGOBOROMOD-HZPDHXFCSA-N 1 3 303.450 2.454 20 0 DEADHO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(CN2CCCC2)c1 ZINC000237969585 402428778 /nfs/dbraw/zinc/42/87/78/402428778.db2.gz XFHMMSPGNOYTNS-JWTNVVGKSA-N 1 3 313.445 2.295 20 0 DEADHO [NH3+]CCCCCCC(=O)NCCCN1CCc2ccccc2C1 ZINC000237983881 402430297 /nfs/dbraw/zinc/43/02/97/402430297.db2.gz DIUAFKWUZFUVKB-UHFFFAOYSA-N 1 3 317.477 2.460 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)CN1C1CC1 ZINC000162871817 402434912 /nfs/dbraw/zinc/43/49/12/402434912.db2.gz GWXUXCLEAISJRP-MWDXBVQZSA-N 1 3 309.498 2.091 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]C[C@H]2CCN(CC)C2)[C@@H](C)C1 ZINC000163247915 402445472 /nfs/dbraw/zinc/44/54/72/402445472.db2.gz NEUJDBTXWAEBPA-RCCFBDPRSA-N 1 3 311.514 2.055 20 0 DEADHO C[C@H]1CCC[C@@H]1CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000185924261 402389640 /nfs/dbraw/zinc/38/96/40/402389640.db2.gz GTKDBYSTQSAJNR-JKSUJKDBSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](O)CCN(C)Cc1ccccc1C[N@H+](C)CC[C@H](C)O ZINC000245445251 402461302 /nfs/dbraw/zinc/46/13/02/402461302.db2.gz KFJCWGJOSVFNDL-HOTGVXAUSA-N 1 3 308.466 2.092 20 0 DEADHO C[C@H](O)CCN(C)Cc1ccccc1C[N@@H+](C)CC[C@H](C)O ZINC000245445251 402461305 /nfs/dbraw/zinc/46/13/05/402461305.db2.gz KFJCWGJOSVFNDL-HOTGVXAUSA-N 1 3 308.466 2.092 20 0 DEADHO O=C(C[C@@H]1CCC[NH2+]1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000165042341 402472107 /nfs/dbraw/zinc/47/21/07/402472107.db2.gz NBWZIJJIEVNLAY-IRXDYDNUSA-N 1 3 301.434 2.082 20 0 DEADHO CCC[C@H](N)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000165915159 402479958 /nfs/dbraw/zinc/47/99/58/402479958.db2.gz CLSRNVXJJPRFSW-ZDUSSCGKSA-N 1 3 313.829 2.346 20 0 DEADHO COC[C@H](C)C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000187427113 402500334 /nfs/dbraw/zinc/50/03/34/402500334.db2.gz LPQNRFVYUARPKN-ZACQAIPSSA-N 1 3 312.498 2.480 20 0 DEADHO CC[C@H](C)[C@@H](N)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000178857904 402547442 /nfs/dbraw/zinc/54/74/42/402547442.db2.gz REJOVHKGGAGSKK-ZMSDIMECSA-N 1 3 305.466 2.387 20 0 DEADHO CC[C@H](C)[C@@H](N)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000178857904 402547443 /nfs/dbraw/zinc/54/74/43/402547443.db2.gz REJOVHKGGAGSKK-ZMSDIMECSA-N 1 3 305.466 2.387 20 0 DEADHO CN(C)Cc1cccc(NC(=O)NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000170993822 402548116 /nfs/dbraw/zinc/54/81/16/402548116.db2.gz IJLIWVWNBFZDRB-OAHLLOKOSA-N 1 3 304.438 2.212 20 0 DEADHO CN(C)Cc1cccc(NC(=O)NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000170993822 402548119 /nfs/dbraw/zinc/54/81/19/402548119.db2.gz IJLIWVWNBFZDRB-OAHLLOKOSA-N 1 3 304.438 2.212 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)C1 ZINC000246266607 402521896 /nfs/dbraw/zinc/52/18/96/402521896.db2.gz ACCCAOBYHDGFOH-LUKYLMHMSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)C1 ZINC000246266607 402521898 /nfs/dbraw/zinc/52/18/98/402521898.db2.gz ACCCAOBYHDGFOH-LUKYLMHMSA-N 1 3 309.498 2.342 20 0 DEADHO C[C@@H]([NH3+])CCNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000178656201 402522143 /nfs/dbraw/zinc/52/21/43/402522143.db2.gz ZINGLLDFMPFYSP-HZPDHXFCSA-N 1 3 317.477 2.183 20 0 DEADHO CC(C)([NH3+])CC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000178733841 402532175 /nfs/dbraw/zinc/53/21/75/402532175.db2.gz WYZVIBDILFJJSR-UHFFFAOYSA-N 1 3 309.479 2.204 20 0 DEADHO CC[C@@H](C)[C@@H](N)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000178731955 402532243 /nfs/dbraw/zinc/53/22/43/402532243.db2.gz OMJSFTXXBDWRSL-CRAIPNDOSA-N 1 3 317.477 2.388 20 0 DEADHO CC(C)(C)OC[C@H](O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246492955 402533892 /nfs/dbraw/zinc/53/38/92/402533892.db2.gz HHATVXOFKBLMSG-UAGQMJEPSA-N 1 3 310.482 2.111 20 0 DEADHO CC(C)(C)OC[C@H](O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246492955 402533894 /nfs/dbraw/zinc/53/38/94/402533894.db2.gz HHATVXOFKBLMSG-UAGQMJEPSA-N 1 3 310.482 2.111 20 0 DEADHO [NH3+]Cc1ccc(C(=O)N2CCCN(C3CCCC3)CC2)cc1 ZINC000178752179 402534382 /nfs/dbraw/zinc/53/43/82/402534382.db2.gz MOBTXJGWFVRIIW-UHFFFAOYSA-N 1 3 301.434 2.236 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@@H](N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247670522 402574246 /nfs/dbraw/zinc/57/42/46/402574246.db2.gz ZITKHBDGIDWIRM-RBSFLKMASA-N 1 3 311.470 2.458 20 0 DEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247670522 402574248 /nfs/dbraw/zinc/57/42/48/402574248.db2.gz ZITKHBDGIDWIRM-RBSFLKMASA-N 1 3 311.470 2.458 20 0 DEADHO CN(C(=O)C[C@H]1CC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000249585745 402635484 /nfs/dbraw/zinc/63/54/84/402635484.db2.gz SXIVRONAHMNLIC-QZTJIDSGSA-N 1 3 315.461 2.109 20 0 DEADHO COc1cc2c(cc1CN1CCC[C@@H]([C@@H]3CC[NH2+]C3)C1)OCO2 ZINC000414783535 286253419 /nfs/dbraw/zinc/25/34/19/286253419.db2.gz PZDSGVDHPIGTIA-ZIAGYGMSSA-N 1 3 318.417 2.245 20 0 DEADHO CCO[C@H]1C[C@H]([NH2+]CCCN2CCN(CC)CC2)C12CCCC2 ZINC000181492205 402647150 /nfs/dbraw/zinc/64/71/50/402647150.db2.gz XKYMNZPIPYGFJH-ROUUACIJSA-N 1 3 323.525 2.341 20 0 DEADHO CCO[C@@H]1C[C@@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1(C)C ZINC000181775160 402656358 /nfs/dbraw/zinc/65/63/58/402656358.db2.gz XHRSTDKZPYSHJY-USXIJHARSA-N 1 3 310.482 2.281 20 0 DEADHO CC[NH+](CC)CCCC1CCN(CC(=O)N2CCCC2)CC1 ZINC000182762900 402714837 /nfs/dbraw/zinc/71/48/37/402714837.db2.gz BNHCSZFZKHMGHK-UHFFFAOYSA-N 1 3 309.498 2.443 20 0 DEADHO Cc1ccc(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])c(OCCN(C)C)c1 ZINC000261706500 402716088 /nfs/dbraw/zinc/71/60/88/402716088.db2.gz ITOUFNGSOJAAJI-LSDHHAIUSA-N 1 3 319.449 2.391 20 0 DEADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C[C@H](N)c1ccccc1 ZINC000263367903 402762916 /nfs/dbraw/zinc/76/29/16/402762916.db2.gz WTAKZQWBKCCTNI-INMHGKMJSA-N 1 3 303.450 2.313 20 0 DEADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C[C@H](N)c1ccccc1 ZINC000263367903 402762917 /nfs/dbraw/zinc/76/29/17/402762917.db2.gz WTAKZQWBKCCTNI-INMHGKMJSA-N 1 3 303.450 2.313 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)N(C)C)cc1 ZINC000262275798 402723536 /nfs/dbraw/zinc/72/35/36/402723536.db2.gz JKDRXNKYGOMZAT-ULQDDVLXSA-N 1 3 303.450 2.231 20 0 DEADHO CCC[C@](C)([NH3+])C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000262303345 402723865 /nfs/dbraw/zinc/72/38/65/402723865.db2.gz LLGCKNNWIJNTFK-WMZOPIPTSA-N 1 3 305.466 2.485 20 0 DEADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262364640 402724883 /nfs/dbraw/zinc/72/48/83/402724883.db2.gz KVVFMQAXPSRRTQ-NBOOPKSLSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@H]([NH2+][C@@H]1CCCCNC1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272173009 402905619 /nfs/dbraw/zinc/90/56/19/402905619.db2.gz GQNSKQRLCXWRDO-RYQLBKOJSA-N 1 3 315.461 2.155 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)/C=C/C[NH+](C)C)c1ccccc1 ZINC000264615654 402890894 /nfs/dbraw/zinc/89/08/94/402890894.db2.gz JJWJJJQZCWHVDG-RTGRKSDTSA-N 1 3 303.450 2.304 20 0 DEADHO CN(C)C/C=C/C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000265650458 402937122 /nfs/dbraw/zinc/93/71/22/402937122.db2.gz OGMFRFHJVJKLHR-RMKNXTFCSA-N 1 3 301.434 2.016 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)N(C)C)cc1 ZINC000342765961 292253201 /nfs/dbraw/zinc/25/32/01/292253201.db2.gz REXWBUIFFRTXGZ-UAGQMJEPSA-N 1 3 303.450 2.102 20 0 DEADHO CN(C)[C@@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC000279139010 402908052 /nfs/dbraw/zinc/90/80/52/402908052.db2.gz CVMAJGCUFBABFK-INIZCTEOSA-N 1 3 301.434 2.034 20 0 DEADHO CN1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1=O ZINC000272281391 402918093 /nfs/dbraw/zinc/91/80/93/402918093.db2.gz AFTWSCOOMDMBJR-ZJPYXAASSA-N 1 3 313.445 2.002 20 0 DEADHO CN(C)C/C=C/C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000265594802 402931964 /nfs/dbraw/zinc/93/19/64/402931964.db2.gz BEKXCQJANMAMSC-AATRIKPKSA-N 1 3 301.434 2.016 20 0 DEADHO C[C@@H](CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)N(C)Cc1ccccc1 ZINC000280779207 403035963 /nfs/dbraw/zinc/03/59/63/403035963.db2.gz IDJCYGAHLYECRP-KVSKMBFKSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@@H](CNC(=O)[C@]12CCC[C@@H]1C[NH2+]C2)N(C)Cc1ccccc1 ZINC000280779214 403036022 /nfs/dbraw/zinc/03/60/22/403036022.db2.gz IDJCYGAHLYECRP-WDYCEAGBSA-N 1 3 315.461 2.013 20 0 DEADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC2(O)CCN(C)CC2)C1 ZINC000281674142 403080825 /nfs/dbraw/zinc/08/08/25/403080825.db2.gz RAMKRCPGPHBBKC-SJORKVTESA-N 1 3 317.477 2.463 20 0 DEADHO CCOc1ccccc1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000268431135 403082319 /nfs/dbraw/zinc/08/23/19/403082319.db2.gz OYRPMZKECXBSDL-UHFFFAOYSA-N 1 3 306.450 2.410 20 0 DEADHO C[C@@H]1C[C@H](NCCNC(=O)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000268699943 403107541 /nfs/dbraw/zinc/10/75/41/403107541.db2.gz AWHSRFFKYPXDLA-CRAIPNDOSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H]1C[C@H](NCCNC(=O)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000268699943 403107543 /nfs/dbraw/zinc/10/75/43/403107543.db2.gz AWHSRFFKYPXDLA-CRAIPNDOSA-N 1 3 315.461 2.155 20 0 DEADHO CN(C)C/C=C/C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000274941906 403097849 /nfs/dbraw/zinc/09/78/49/403097849.db2.gz QQVKLVPUWHFTJE-HKMNZKMDSA-N 1 3 315.461 2.131 20 0 DEADHO CN(C)C/C=C/C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000274941906 403097851 /nfs/dbraw/zinc/09/78/51/403097851.db2.gz QQVKLVPUWHFTJE-HKMNZKMDSA-N 1 3 315.461 2.131 20 0 DEADHO CCC[NH+]1CCC(NC[C@H](CO)Cc2ccc(F)cc2)CC1 ZINC000268813761 403116654 /nfs/dbraw/zinc/11/66/54/403116654.db2.gz FNGQHWSVRIRYLJ-MRXNPFEDSA-N 1 3 308.441 2.441 20 0 DEADHO CC[N@@H+]1CC[C@H](NCCNC(=O)c2cccc(C)c2)[C@H](C)C1 ZINC000268827386 403118886 /nfs/dbraw/zinc/11/88/86/403118886.db2.gz ZNDNWKCFXRJGMZ-WBVHZDCISA-N 1 3 303.450 2.045 20 0 DEADHO CC[N@H+]1CC[C@H](NCCNC(=O)c2cccc(C)c2)[C@H](C)C1 ZINC000268827386 403118887 /nfs/dbraw/zinc/11/88/87/403118887.db2.gz ZNDNWKCFXRJGMZ-WBVHZDCISA-N 1 3 303.450 2.045 20 0 DEADHO C[C@@H](NC(=O)[C@H](C)N1CCC(CC[NH3+])CC1)c1ccc(F)cc1 ZINC000566743580 292265511 /nfs/dbraw/zinc/26/55/11/292265511.db2.gz VAVRKHWFHSAPRO-KGLIPLIRSA-N 1 3 321.440 2.452 20 0 DEADHO CN1CCN(CC[NH2+]C/C=C/c2ccc(F)cc2)CC1(C)C ZINC000282375035 403147885 /nfs/dbraw/zinc/14/78/85/403147885.db2.gz ODCYVUNRIAPODD-SNAWJCMRSA-N 1 3 305.441 2.455 20 0 DEADHO OC[C@H](Cc1c[nH]c2ccccc12)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000269939029 403177419 /nfs/dbraw/zinc/17/74/19/403177419.db2.gz FXEGLSAKKOKXJD-IKGGRYGDSA-N 1 3 313.445 2.288 20 0 DEADHO OC[C@H](Cc1c[nH]c2ccccc12)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000269939029 403177422 /nfs/dbraw/zinc/17/74/22/403177422.db2.gz FXEGLSAKKOKXJD-IKGGRYGDSA-N 1 3 313.445 2.288 20 0 DEADHO CC1CCC(N2CCN(C(=O)[C@H]3CCC[NH2+][C@H]3C)CC2)CC1 ZINC000342690754 403309909 /nfs/dbraw/zinc/30/99/09/403309909.db2.gz GQCWJSNYAJATAZ-XGHPGWEVSA-N 1 3 307.482 2.097 20 0 DEADHO CN(CCCNC(=O)CC[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000292178244 403313310 /nfs/dbraw/zinc/31/33/10/403313310.db2.gz WPGVZASGCGVKIK-QGZVFWFLSA-N 1 3 303.450 2.157 20 0 DEADHO CCC1CC([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)C1 ZINC000342704961 403314970 /nfs/dbraw/zinc/31/49/70/403314970.db2.gz ZCORWWQZGVZMBX-UHFFFAOYSA-N 1 3 303.450 2.256 20 0 DEADHO CC[NH+]1CCC(N[C@@H](C)[C@H](Cc2ccccc2)C(=O)OC)CC1 ZINC000342845262 403369652 /nfs/dbraw/zinc/36/96/52/403369652.db2.gz XBEYZJFAJIIXMN-YJBOKZPZSA-N 1 3 318.461 2.481 20 0 DEADHO CN(C)CCN(Cc1ccccc1F)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000285941589 403415722 /nfs/dbraw/zinc/41/57/22/403415722.db2.gz FXVIAGWNQOUPAC-OAHLLOKOSA-N 1 3 321.440 2.106 20 0 DEADHO C[C@H](C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1)CN(C)C ZINC000293232030 403421856 /nfs/dbraw/zinc/42/18/56/403421856.db2.gz AXJJWIJBMSKFLT-ZIAGYGMSSA-N 1 3 305.422 2.492 20 0 DEADHO CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000345685816 403436824 /nfs/dbraw/zinc/43/68/24/403436824.db2.gz QUISQLOXBLCIPE-MRXNPFEDSA-N 1 3 303.450 2.210 20 0 DEADHO CC[N@H+]1CCC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000345685816 403436827 /nfs/dbraw/zinc/43/68/27/403436827.db2.gz QUISQLOXBLCIPE-MRXNPFEDSA-N 1 3 303.450 2.210 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CCCN1C ZINC000345758728 403472200 /nfs/dbraw/zinc/47/22/00/403472200.db2.gz UAXPJTXCLRUEOU-WBVHZDCISA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)N2CCC[N@H+](C3CCCC3)CC2)CCCN1C ZINC000345758728 403472201 /nfs/dbraw/zinc/47/22/01/403472201.db2.gz UAXPJTXCLRUEOU-WBVHZDCISA-N 1 3 322.497 2.129 20 0 DEADHO Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c1 ZINC000332229045 403522166 /nfs/dbraw/zinc/52/21/66/403522166.db2.gz CYIMZZDEYPEIFI-ZBFHGGJFSA-N 1 3 302.422 2.012 20 0 DEADHO CC1(C)OCC[C@H]1[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000293867016 403586299 /nfs/dbraw/zinc/58/62/99/403586299.db2.gz USWGQEUNYGJLPS-GOSISDBHSA-N 1 3 318.461 2.300 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]1CC(=O)NCCCN1CCc2ccccc2C1 ZINC000340127148 403556477 /nfs/dbraw/zinc/55/64/77/403556477.db2.gz UQEDMVVFEDMMBX-SJLPKXTDSA-N 1 3 315.461 2.069 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCC2=CCN(C)CC2)C1 ZINC000343408819 403576619 /nfs/dbraw/zinc/57/66/19/403576619.db2.gz DFLLRWSOYICXPP-MRXNPFEDSA-N 1 3 322.497 2.060 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCC2=CCN(C)CC2)C1 ZINC000343408819 403576623 /nfs/dbraw/zinc/57/66/23/403576623.db2.gz DFLLRWSOYICXPP-MRXNPFEDSA-N 1 3 322.497 2.060 20 0 DEADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000269051525 286371248 /nfs/dbraw/zinc/37/12/48/286371248.db2.gz RHFADIKUWCLAAB-HUUCEWRRSA-N 1 3 306.450 2.234 20 0 DEADHO CC[C@H](C)[C@H](C)[NH2+][C@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000347274911 403645406 /nfs/dbraw/zinc/64/54/06/403645406.db2.gz RPDHMUJINLVSGP-XYJFISCASA-N 1 3 319.493 2.300 20 0 DEADHO CC(C)c1nnc2n1C[C@H](N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CC2 ZINC000333257560 403708326 /nfs/dbraw/zinc/70/83/26/403708326.db2.gz IGZWBYZQRRLRSA-FXUDXRNXSA-N 1 3 317.481 2.227 20 0 DEADHO C[C@H]1[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCCN1C ZINC000343613538 403663480 /nfs/dbraw/zinc/66/34/80/403663480.db2.gz GPOMPTQALKYKLS-JSGCOSHPSA-N 1 3 310.486 2.078 20 0 DEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000333250369 403707173 /nfs/dbraw/zinc/70/71/73/403707173.db2.gz GQHLTHJPSZGJHN-DLBZAZTESA-N 1 3 309.498 2.129 20 0 DEADHO N[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCCCC1)C1CCC1 ZINC000333274362 403713362 /nfs/dbraw/zinc/71/33/62/403713362.db2.gz LCBINQSRCQBOOQ-MRXNPFEDSA-N 1 3 307.482 2.419 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)CCN1C ZINC000340995806 403728444 /nfs/dbraw/zinc/72/84/44/403728444.db2.gz SACMSKQLBVUDMB-ARFHVFGLSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NCCC[N@H+]2CCCC[C@@H]2C)CCN1C ZINC000340995806 403728445 /nfs/dbraw/zinc/72/84/45/403728445.db2.gz SACMSKQLBVUDMB-ARFHVFGLSA-N 1 3 310.486 2.033 20 0 DEADHO O=C(N[C@H]1CCN(C2CC2)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000340997854 403729091 /nfs/dbraw/zinc/72/90/91/403729091.db2.gz PZBSVIHYHOLLNT-KRWDZBQOSA-N 1 3 313.445 2.249 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[NH+](C)C)cc2)CCN1C ZINC000340998675 403729595 /nfs/dbraw/zinc/72/95/95/403729595.db2.gz ZHZFPHVXUXBLBC-RHSMWYFYSA-N 1 3 318.465 2.030 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000343792904 403735502 /nfs/dbraw/zinc/73/55/02/403735502.db2.gz KGULXYQDHJFBBB-OAGGEKHMSA-N 1 3 310.486 2.033 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000343792904 403735507 /nfs/dbraw/zinc/73/55/07/403735507.db2.gz KGULXYQDHJFBBB-OAGGEKHMSA-N 1 3 310.486 2.033 20 0 DEADHO CN(C)CCN(CCCc1ccccc1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000343796282 403737510 /nfs/dbraw/zinc/73/75/10/403737510.db2.gz KMLGXAXQKPBIQY-SFHVURJKSA-N 1 3 317.477 2.009 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)N[C@H]2CCCN(C)[C@H]2C)CC1 ZINC000343801101 403738664 /nfs/dbraw/zinc/73/86/64/403738664.db2.gz QQOWHKXMVZOVQL-IRXDYDNUSA-N 1 3 324.513 2.280 20 0 DEADHO O=C(c1ccc2c(c1)CNC2)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000347561260 403752253 /nfs/dbraw/zinc/75/22/53/403752253.db2.gz SGXDJHKZIOYFGF-HNNXBMFYSA-N 1 3 313.445 2.238 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)CCCN1C ZINC000343846026 403757386 /nfs/dbraw/zinc/75/73/86/403757386.db2.gz JGWISEKKPAVWPG-PBHICJAKSA-N 1 3 322.497 2.175 20 0 DEADHO CSc1ccc(OC[C@@H](O)C[NH2+]CC[C@@H](C)N(C)C)cc1 ZINC001120583360 782007637 /nfs/dbraw/zinc/00/76/37/782007637.db2.gz VLCUIRUPRQHICV-KGLIPLIRSA-N 1 3 312.479 2.078 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CCN1C ZINC000341183519 403811385 /nfs/dbraw/zinc/81/13/85/403811385.db2.gz AGVYFJXQCVXZQL-ZACQAIPSSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)N1CCCN(C(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000354469315 403818219 /nfs/dbraw/zinc/81/82/19/403818219.db2.gz WKZOXQBWTIZTPO-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CCN1C ZINC000341202485 403828323 /nfs/dbraw/zinc/82/83/23/403828323.db2.gz MPJMTWURSOCKEV-HYVNUMGLSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCN1C ZINC000341202485 403828334 /nfs/dbraw/zinc/82/83/34/403828334.db2.gz MPJMTWURSOCKEV-HYVNUMGLSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](CCC[NH3+])NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000295177194 403785353 /nfs/dbraw/zinc/78/53/53/403785353.db2.gz HADZLMRIROMJPG-HNNXBMFYSA-N 1 3 303.450 2.142 20 0 DEADHO C[C@H](c1cccnc1)[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343917117 403791384 /nfs/dbraw/zinc/79/13/84/403791384.db2.gz CMXQUGYTEWMCTB-JFIYKMOQSA-N 1 3 302.466 2.100 20 0 DEADHO C[C@H](c1cccnc1)[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343917117 403791385 /nfs/dbraw/zinc/79/13/85/403791385.db2.gz CMXQUGYTEWMCTB-JFIYKMOQSA-N 1 3 302.466 2.100 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCCCC1 ZINC000354594760 403895601 /nfs/dbraw/zinc/89/56/01/403895601.db2.gz FZBTUDYFVJCRKB-BRWVUGGUSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCCCC1 ZINC000354594760 403895607 /nfs/dbraw/zinc/89/56/07/403895607.db2.gz FZBTUDYFVJCRKB-BRWVUGGUSA-N 1 3 307.482 2.240 20 0 DEADHO CCC[NH+]1CCC(N(C)CCC(=O)Nc2cccnc2)CC1 ZINC000361838192 403899016 /nfs/dbraw/zinc/89/90/16/403899016.db2.gz RHDOEYQTTTULPC-UHFFFAOYSA-N 1 3 304.438 2.216 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@H](C)CC(C)(C)C2)CC1 ZINC000344032882 403862829 /nfs/dbraw/zinc/86/28/29/403862829.db2.gz FBCDNDFVPDSHKG-OAHLLOKOSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1C[C@H](NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)[C@H](C)O1 ZINC000295349738 403875207 /nfs/dbraw/zinc/87/52/07/403875207.db2.gz ILUMQGWITRJWDD-OHQAAIJDSA-N 1 3 318.461 2.299 20 0 DEADHO C[C@@H]1C[C@H](NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)[C@H](C)O1 ZINC000295349738 403875214 /nfs/dbraw/zinc/87/52/14/403875214.db2.gz ILUMQGWITRJWDD-OHQAAIJDSA-N 1 3 318.461 2.299 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](NCCc2cncs2)[C@H](C)C1 ZINC000411550727 403891942 /nfs/dbraw/zinc/89/19/42/403891942.db2.gz LJSBYQPHQWUYJF-ZBFHGGJFSA-N 1 3 311.495 2.412 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](NCCc2cncs2)[C@H](C)C1 ZINC000411550727 403891951 /nfs/dbraw/zinc/89/19/51/403891951.db2.gz LJSBYQPHQWUYJF-ZBFHGGJFSA-N 1 3 311.495 2.412 20 0 DEADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000333871993 403893407 /nfs/dbraw/zinc/89/34/07/403893407.db2.gz USUOOQQHCNWOGO-BRWVUGGUSA-N 1 3 322.497 2.021 20 0 DEADHO CSc1ccccc1NC(=O)CCN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351853157 403961828 /nfs/dbraw/zinc/96/18/28/403961828.db2.gz NXHQBSPOUNEHRY-OLZOCXBDSA-N 1 3 307.463 2.406 20 0 DEADHO CC[NH+]1CCC(NC(=O)CNC(C)(C)c2ccccc2C)CC1 ZINC000411766034 403962725 /nfs/dbraw/zinc/96/27/25/403962725.db2.gz HTBJSZPMSWXRSV-UHFFFAOYSA-N 1 3 317.477 2.420 20 0 DEADHO CCO[C@@H]1C[C@H](N[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C12CCC2 ZINC000422783654 286398913 /nfs/dbraw/zinc/39/89/13/286398913.db2.gz OPRVXVFQMPIHFL-BPKGMFCQSA-N 1 3 308.466 2.081 20 0 DEADHO OC[C@@H](NCc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCCO1 ZINC000411661046 403929404 /nfs/dbraw/zinc/92/94/04/403929404.db2.gz UPBPTQPDWHSVTO-MOPGFXCFSA-N 1 3 318.461 2.302 20 0 DEADHO CCN(Cc1ccc(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1)C1CC1 ZINC000351827928 403945620 /nfs/dbraw/zinc/94/56/20/403945620.db2.gz SOIWSDUWBXUBAZ-RHSMWYFYSA-N 1 3 315.461 2.480 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCCN(C)CC2)C1 ZINC000337412861 404006974 /nfs/dbraw/zinc/00/69/74/404006974.db2.gz PUVFHCYXRUCTKW-IAGOWNOFSA-N 1 3 324.513 2.092 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000295757749 404011381 /nfs/dbraw/zinc/01/13/81/404011381.db2.gz QASRLYYCKBEONL-CABCVRRESA-N 1 3 318.465 2.111 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCC(F)(F)[C@@H](C)C2)CC1 ZINC000352017586 404081753 /nfs/dbraw/zinc/08/17/53/404081753.db2.gz IGFCYJDXISRZJM-HNNXBMFYSA-N 1 3 303.441 2.380 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCC(F)(F)[C@@H](C)C2)CC1 ZINC000352017586 404081761 /nfs/dbraw/zinc/08/17/61/404081761.db2.gz IGFCYJDXISRZJM-HNNXBMFYSA-N 1 3 303.441 2.380 20 0 DEADHO CN(C)CCN(C(=O)C[C@@H]1CCCC[C@H]1[NH3+])c1ccccc1 ZINC000296082238 404085501 /nfs/dbraw/zinc/08/55/01/404085501.db2.gz QPSXCBNWPXRBFR-DOTOQJQBSA-N 1 3 303.450 2.489 20 0 DEADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000290114408 404046625 /nfs/dbraw/zinc/04/66/25/404046625.db2.gz YMNYWEZBCVDHOG-CRAIPNDOSA-N 1 3 315.461 2.155 20 0 DEADHO CCN(CC)CC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000337479369 404053782 /nfs/dbraw/zinc/05/37/82/404053782.db2.gz VVTPHMLRKSICDH-UHFFFAOYSA-N 1 3 305.466 2.355 20 0 DEADHO CCN(CC)CC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000337479369 404053791 /nfs/dbraw/zinc/05/37/91/404053791.db2.gz VVTPHMLRKSICDH-UHFFFAOYSA-N 1 3 305.466 2.355 20 0 DEADHO CNC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000290284394 404111457 /nfs/dbraw/zinc/11/14/57/404111457.db2.gz XMYMZFODVFLVAT-SJLPKXTDSA-N 1 3 317.477 2.403 20 0 DEADHO CNC(=O)C[C@@H](C)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000290284394 404111465 /nfs/dbraw/zinc/11/14/65/404111465.db2.gz XMYMZFODVFLVAT-SJLPKXTDSA-N 1 3 317.477 2.403 20 0 DEADHO CNC(=O)C[C@@H](C)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290284394 404111470 /nfs/dbraw/zinc/11/14/70/404111470.db2.gz XMYMZFODVFLVAT-SJLPKXTDSA-N 1 3 317.477 2.403 20 0 DEADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NCCN(C)Cc1ccccc1 ZINC000352151504 404179615 /nfs/dbraw/zinc/17/96/15/404179615.db2.gz YZKWYPLPEXNVIA-QGZVFWFLSA-N 1 3 305.466 2.401 20 0 DEADHO C[C@H](CC(N)=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000341907329 404248330 /nfs/dbraw/zinc/24/83/30/404248330.db2.gz ZFLVDUMPNILKRM-LSDHHAIUSA-N 1 3 303.450 2.272 20 0 DEADHO C[C@H](CC(N)=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000341907329 404248338 /nfs/dbraw/zinc/24/83/38/404248338.db2.gz ZFLVDUMPNILKRM-LSDHHAIUSA-N 1 3 303.450 2.272 20 0 DEADHO COc1ccc(C)cc1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000344641936 404279510 /nfs/dbraw/zinc/27/95/10/404279510.db2.gz QCNYFDMPJQUPFP-UHFFFAOYSA-N 1 3 306.450 2.329 20 0 DEADHO CC[NH+](CC)CCO[C@H]1CCN(CCOc2ccccc2)C1 ZINC000350198474 404345745 /nfs/dbraw/zinc/34/57/45/404345745.db2.gz AUMOESKZVKUBFA-SFHVURJKSA-N 1 3 306.450 2.498 20 0 DEADHO Cc1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000370148446 404350363 /nfs/dbraw/zinc/35/03/63/404350363.db2.gz KVYSJFYQZCFOBT-PKOBYXMFSA-N 1 3 301.478 2.453 20 0 DEADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCN1CCC[C@@H](C)C1 ZINC000338292262 404358205 /nfs/dbraw/zinc/35/82/05/404358205.db2.gz RTLPAJFZNQYYMG-BRWVUGGUSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCN1CCC[C@@H](C)C1 ZINC000338292262 404358215 /nfs/dbraw/zinc/35/82/15/404358215.db2.gz RTLPAJFZNQYYMG-BRWVUGGUSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](C(=O)NC[C@H]1N(C)CCCC1(C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000344715621 404325087 /nfs/dbraw/zinc/32/50/87/404325087.db2.gz PACOKGZKZDJKPO-QKPAOTATSA-N 1 3 309.498 2.484 20 0 DEADHO C[C@H](C(=O)NC[C@H]1N(C)CCCC1(C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000344715621 404325096 /nfs/dbraw/zinc/32/50/96/404325096.db2.gz PACOKGZKZDJKPO-QKPAOTATSA-N 1 3 309.498 2.484 20 0 DEADHO CNC(=O)c1ccc(CN(CCC[NH3+])CC2CCCC2)cc1 ZINC000352512698 404427593 /nfs/dbraw/zinc/42/75/93/404427593.db2.gz ZLKDDJZFQGHYSU-UHFFFAOYSA-N 1 3 303.450 2.387 20 0 DEADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000344778328 404362692 /nfs/dbraw/zinc/36/26/92/404362692.db2.gz RJDKUALAPHRCLL-CABCVRRESA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)COc1cccc(C[NH2+]CC2(O)CCN(C)CC2)c1 ZINC000352435480 404369269 /nfs/dbraw/zinc/36/92/69/404369269.db2.gz OXLUSVNHTJLAPN-UHFFFAOYSA-N 1 3 306.450 2.268 20 0 DEADHO CCN(CCNC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000338482556 404371926 /nfs/dbraw/zinc/37/19/26/404371926.db2.gz FDZJNCRWKQEPKQ-OWCLPIDISA-N 1 3 324.513 2.136 20 0 DEADHO CCN(CCNC(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000338482556 404371933 /nfs/dbraw/zinc/37/19/33/404371933.db2.gz FDZJNCRWKQEPKQ-OWCLPIDISA-N 1 3 324.513 2.136 20 0 DEADHO NC1(C[NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)CCC1 ZINC000342126713 404385489 /nfs/dbraw/zinc/38/54/89/404385489.db2.gz DYFLGNOLKXGFGL-UHFFFAOYSA-N 1 3 306.797 2.404 20 0 DEADHO C[C@H](CNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C)N(C)C1CC1 ZINC000356223286 404406630 /nfs/dbraw/zinc/40/66/30/404406630.db2.gz KNUAFDXSHOVLOU-RRFJBIMHSA-N 1 3 310.486 2.031 20 0 DEADHO C[C@H](CNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C)N(C)C1CC1 ZINC000356223286 404406637 /nfs/dbraw/zinc/40/66/37/404406637.db2.gz KNUAFDXSHOVLOU-RRFJBIMHSA-N 1 3 310.486 2.031 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)N1CCCCC1 ZINC000356256216 404412378 /nfs/dbraw/zinc/41/23/78/404412378.db2.gz RYIQVEWRVXFZKU-MJGOQNOKSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)N1CCCCC1 ZINC000356256216 404412382 /nfs/dbraw/zinc/41/23/82/404412382.db2.gz RYIQVEWRVXFZKU-MJGOQNOKSA-N 1 3 321.509 2.441 20 0 DEADHO Clc1ccc(CCCN2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000352503294 404419609 /nfs/dbraw/zinc/41/96/09/404419609.db2.gz DROUUOFPFODKCZ-KRWDZBQOSA-N 1 3 307.869 2.252 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N2CCCN(CC3CCC3)CC2)CC[N@@H+]1C ZINC000351052406 404506752 /nfs/dbraw/zinc/50/67/52/404506752.db2.gz KPOUSDCDVLOVMV-RDJZCZTQSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N2CCCN(CC3CCC3)CC2)CC[N@H+]1C ZINC000351052406 404506754 /nfs/dbraw/zinc/50/67/54/404506754.db2.gz KPOUSDCDVLOVMV-RDJZCZTQSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000345034450 404508658 /nfs/dbraw/zinc/50/86/58/404508658.db2.gz JGMIVGOBOROMOD-IYBDPMFKSA-N 1 3 303.450 2.454 20 0 DEADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000342342911 404521815 /nfs/dbraw/zinc/52/18/15/404521815.db2.gz YMGFZJMMRNZFAJ-YOEHRIQHSA-N 1 3 322.497 2.081 20 0 DEADHO C[C@@H](NC[C@@H](O)COCc1cccs1)C(C)(C)C[NH+](C)C ZINC000567464220 292315277 /nfs/dbraw/zinc/31/52/77/292315277.db2.gz KCZFDBHCKRMLAE-ZIAGYGMSSA-N 1 3 314.495 2.192 20 0 DEADHO CC(C)NC(=O)[C@H](C)N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000414345598 404585618 /nfs/dbraw/zinc/58/56/18/404585618.db2.gz OYHQLUUFEGOBOY-GJZGRUSLSA-N 1 3 321.465 2.191 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000567532982 292320398 /nfs/dbraw/zinc/32/03/98/292320398.db2.gz LIZVWPDAAHMHTC-HNNXBMFYSA-N 1 3 312.502 2.231 20 0 DEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000567532982 292320400 /nfs/dbraw/zinc/32/04/00/292320400.db2.gz LIZVWPDAAHMHTC-HNNXBMFYSA-N 1 3 312.502 2.231 20 0 DEADHO COc1cc(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)ccc1C ZINC000414772784 404730859 /nfs/dbraw/zinc/73/08/59/404730859.db2.gz CKIODYDTNNIYJA-MRXNPFEDSA-N 1 3 304.434 2.191 20 0 DEADHO Cc1nn(C)c2ncc(CN3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc12 ZINC000414785582 404734793 /nfs/dbraw/zinc/73/47/93/404734793.db2.gz SVIPQOCZCNRGDE-CVEARBPZSA-N 1 3 313.449 2.098 20 0 DEADHO COC(=O)COc1c(C)cc(C[N@H+](C)C2(CN)CCC2)cc1C ZINC000414794026 404737452 /nfs/dbraw/zinc/73/74/52/404737452.db2.gz VEPFEIDQICLDDE-UHFFFAOYSA-N 1 3 320.433 2.168 20 0 DEADHO COC(=O)COc1c(C)cc(C[N@@H+](C)C2(CN)CCC2)cc1C ZINC000414794026 404737455 /nfs/dbraw/zinc/73/74/55/404737455.db2.gz VEPFEIDQICLDDE-UHFFFAOYSA-N 1 3 320.433 2.168 20 0 DEADHO COc1cc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc(OC)c1 ZINC000414793992 404738084 /nfs/dbraw/zinc/73/80/84/404738084.db2.gz VCYIJIPOPSKZAJ-MSOLQXFVSA-N 1 3 320.433 2.032 20 0 DEADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](C)N1CCCCCC1 ZINC000357796608 404743829 /nfs/dbraw/zinc/74/38/29/404743829.db2.gz POZIDGIYTNURKS-ZACQAIPSSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](C)N1CCCCCC1 ZINC000357796608 404743832 /nfs/dbraw/zinc/74/38/32/404743832.db2.gz POZIDGIYTNURKS-ZACQAIPSSA-N 1 3 309.498 2.488 20 0 DEADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC[C@H](C)C[NH3+] ZINC000414871097 404753123 /nfs/dbraw/zinc/75/31/23/404753123.db2.gz CXDACZCQCHVFGC-GHMZBOCLSA-N 1 3 313.829 2.250 20 0 DEADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H](C)CN ZINC000414871097 404753128 /nfs/dbraw/zinc/75/31/28/404753128.db2.gz CXDACZCQCHVFGC-GHMZBOCLSA-N 1 3 313.829 2.250 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000358178008 404755363 /nfs/dbraw/zinc/75/53/63/404755363.db2.gz YEVFSFVTDLWERA-RDJZCZTQSA-N 1 3 320.481 2.317 20 0 DEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000358178008 404755366 /nfs/dbraw/zinc/75/53/66/404755366.db2.gz YEVFSFVTDLWERA-RDJZCZTQSA-N 1 3 320.481 2.317 20 0 DEADHO C[C@@H]1C[C@H](CN2CCN(C(=O)C3CCCCC3)CC2)CC[NH2+]1 ZINC000414696016 404710368 /nfs/dbraw/zinc/71/03/68/404710368.db2.gz VEHZGTCMPBJACN-HZPDHXFCSA-N 1 3 307.482 2.099 20 0 DEADHO Cc1nc(CN(C)[C@@H]2CCC[N@@H+](C[C@H](N)CC(C)C)CC2)no1 ZINC000414755396 404725054 /nfs/dbraw/zinc/72/50/54/404725054.db2.gz HLKXIOBCVKMIIQ-HZPDHXFCSA-N 1 3 323.485 2.038 20 0 DEADHO Cc1nc(CN(C)[C@@H]2CCC[N@H+](C[C@H](N)CC(C)C)CC2)no1 ZINC000414755396 404725057 /nfs/dbraw/zinc/72/50/57/404725057.db2.gz HLKXIOBCVKMIIQ-HZPDHXFCSA-N 1 3 323.485 2.038 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CC[C@@H](O)C2)CC1 ZINC000353231652 404776778 /nfs/dbraw/zinc/77/67/78/404776778.db2.gz BXLMYECWZAMDKF-SJLPKXTDSA-N 1 3 317.477 2.079 20 0 DEADHO CC[C@H]([NH3+])CNCc1ccccc1N(C)C1CCN(C)CC1 ZINC000414972561 404779441 /nfs/dbraw/zinc/77/94/41/404779441.db2.gz ARUQELCSUNVGMQ-INIZCTEOSA-N 1 3 304.482 2.044 20 0 DEADHO Brc1ccc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)nc1 ZINC000415012994 404788011 /nfs/dbraw/zinc/78/80/11/404788011.db2.gz UEKQGISPVZWUIJ-UONOGXRCSA-N 1 3 310.239 2.322 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H]2CCCN2CC)[C@H](C)C1 ZINC000359574555 404797149 /nfs/dbraw/zinc/79/71/49/404797149.db2.gz BHMBHYKJESDISH-SQNIBIBYSA-N 1 3 311.514 2.197 20 0 DEADHO COc1ccccc1CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415125099 404812969 /nfs/dbraw/zinc/81/29/69/404812969.db2.gz NVMYCQQWDPVIFU-FUHWJXTLSA-N 1 3 304.434 2.414 20 0 DEADHO COc1ccccc1CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415125100 404813041 /nfs/dbraw/zinc/81/30/41/404813041.db2.gz NVMYCQQWDPVIFU-SJLPKXTDSA-N 1 3 304.434 2.414 20 0 DEADHO O=C(NCCC[NH+]1CCCCC1)NC[C@@H]1CCCCN1C1CC1 ZINC000434356251 404887034 /nfs/dbraw/zinc/88/70/34/404887034.db2.gz VDLCQUONENNXSL-KRWDZBQOSA-N 1 3 322.497 2.179 20 0 DEADHO COC[C@]1(C)CCN(C/C=C/C[N@@H+]2CC[C@@](C)(COC)C2)C1 ZINC000451200139 404898682 /nfs/dbraw/zinc/89/86/82/404898682.db2.gz GPYRROCJFNBJGJ-PJHKVULZSA-N 1 3 310.482 2.259 20 0 DEADHO COC[C@]1(C)CCN(C/C=C/C[N@H+]2CC[C@@](C)(COC)C2)C1 ZINC000451200139 404898687 /nfs/dbraw/zinc/89/86/87/404898687.db2.gz GPYRROCJFNBJGJ-PJHKVULZSA-N 1 3 310.482 2.259 20 0 DEADHO N[C@@H]1CCC[C@@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000568252792 292326847 /nfs/dbraw/zinc/32/68/47/292326847.db2.gz XBFUJYDCXISJDF-OLZOCXBDSA-N 1 3 306.797 2.402 20 0 DEADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)C(N)C(F)(F)F)c1 ZINC000353506855 404851566 /nfs/dbraw/zinc/85/15/66/404851566.db2.gz FACBKDLUAHRONF-CYBMUJFWSA-N 1 3 317.355 2.033 20 0 DEADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C(N)C(F)(F)F)c1 ZINC000353506855 404851568 /nfs/dbraw/zinc/85/15/68/404851568.db2.gz FACBKDLUAHRONF-CYBMUJFWSA-N 1 3 317.355 2.033 20 0 DEADHO Cc1nc2ccccn2c1CN1CCC(OCC[NH+](C)C)CC1 ZINC000353523808 404857077 /nfs/dbraw/zinc/85/70/77/404857077.db2.gz BRCPGDYJODATNN-UHFFFAOYSA-N 1 3 316.449 2.185 20 0 DEADHO C[C@H](CCc1ccc(F)cc1F)[NH2+]CC1(O)CCN(C)CC1 ZINC000353537164 404859745 /nfs/dbraw/zinc/85/97/45/404859745.db2.gz ZPGJHXYYYHWJDM-CYBMUJFWSA-N 1 3 312.404 2.332 20 0 DEADHO CCN(Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cc1)C1CC1 ZINC000423971400 404953478 /nfs/dbraw/zinc/95/34/78/404953478.db2.gz HABMBKMALQTHOV-DYVFJYSZSA-N 1 3 301.434 2.090 20 0 DEADHO O=C(C[NH2+]C1CCC2(CC2)CC1)NCCN1CCCCCC1 ZINC000353677007 404915554 /nfs/dbraw/zinc/91/55/54/404915554.db2.gz XWIHBOLEKLHAFE-UHFFFAOYSA-N 1 3 307.482 2.291 20 0 DEADHO CC(C)[NH+](CCNC(=O)NCc1ccc2c(c1)CNC2)C(C)C ZINC000416811999 404920429 /nfs/dbraw/zinc/92/04/29/404920429.db2.gz SJSUHIWRLGRPJP-UHFFFAOYSA-N 1 3 318.465 2.208 20 0 DEADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000361108745 404921482 /nfs/dbraw/zinc/92/14/82/404921482.db2.gz KUSFTGGCAXNVCU-RLLQIKCJSA-N 1 3 315.505 2.481 20 0 DEADHO COc1cccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000378309869 404924368 /nfs/dbraw/zinc/92/43/68/404924368.db2.gz BZZWYQZZGUFMQF-LPHOPBHVSA-N 1 3 317.477 2.153 20 0 DEADHO COc1cccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000378309869 404924371 /nfs/dbraw/zinc/92/43/71/404924371.db2.gz BZZWYQZZGUFMQF-LPHOPBHVSA-N 1 3 317.477 2.153 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N[C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000416841630 404930856 /nfs/dbraw/zinc/93/08/56/404930856.db2.gz MCGCZYPHFXGBEQ-IRXDYDNUSA-N 1 3 318.465 2.106 20 0 DEADHO C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)[C@H](C)CN1 ZINC000415782423 404941205 /nfs/dbraw/zinc/94/12/05/404941205.db2.gz FBAHEONPIYTUFE-PBFPGSCMSA-N 1 3 316.449 2.450 20 0 DEADHO CN(C)Cc1cccc(CNC(=O)NCC2([NH3+])CCCCC2)c1 ZINC000417061190 405023153 /nfs/dbraw/zinc/02/31/53/405023153.db2.gz FPOHXZYMADWVDJ-UHFFFAOYSA-N 1 3 318.465 2.209 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCCN1CCCOCC1 ZINC000361334669 405027048 /nfs/dbraw/zinc/02/70/48/405027048.db2.gz HCOKCOJQWKTRAS-ZWKOTPCHSA-N 1 3 311.514 2.199 20 0 DEADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCCN1CCCOCC1 ZINC000361334664 405027333 /nfs/dbraw/zinc/02/73/33/405027333.db2.gz HCOKCOJQWKTRAS-MSOLQXFVSA-N 1 3 311.514 2.199 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000382723028 405031963 /nfs/dbraw/zinc/03/19/63/405031963.db2.gz OXHQOKIWRUKNOT-FUHWJXTLSA-N 1 3 315.461 2.109 20 0 DEADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000424027297 404975216 /nfs/dbraw/zinc/97/52/16/404975216.db2.gz MKQJYEQKLWHXOM-IMJJTQAJSA-N 1 3 321.440 2.103 20 0 DEADHO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2ccc3c(c2)CNC3)CC1 ZINC000424040923 404981010 /nfs/dbraw/zinc/98/10/10/404981010.db2.gz MMZULGIBAUOELU-KRWDZBQOSA-N 1 3 313.445 2.140 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415973582 404990413 /nfs/dbraw/zinc/99/04/13/404990413.db2.gz OTPFEFATDIRCRW-SJORKVTESA-N 1 3 316.449 2.497 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)c1 ZINC000424068857 404993626 /nfs/dbraw/zinc/99/36/26/404993626.db2.gz AZOJQXHYEIRMBV-QGZVFWFLSA-N 1 3 309.413 2.278 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@@H]([NH3+])C1)c1ccsc1 ZINC000417000000 404993733 /nfs/dbraw/zinc/99/37/33/404993733.db2.gz CSFBELABPIINHQ-CABCVRRESA-N 1 3 324.494 2.264 20 0 DEADHO CN1CCC[C@@H](CNC(=O)NCCCC[NH3+])[C@H]1c1cccs1 ZINC000417744845 405095641 /nfs/dbraw/zinc/09/56/41/405095641.db2.gz YZBQKXXPRKFLCR-ZFWWWQNUSA-N 1 3 324.494 2.169 20 0 DEADHO Cc1cc(C[NH3+])cc(NC(=O)NC[C@@]2(N(C)C)CCSC2)c1 ZINC000424442199 405095852 /nfs/dbraw/zinc/09/58/52/405095852.db2.gz XNGSGLLOLIVEOG-INIZCTEOSA-N 1 3 322.478 2.013 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000389909681 405041130 /nfs/dbraw/zinc/04/11/30/405041130.db2.gz IMGUGNUVXBWGHJ-AYBZRNKSSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000389934950 405041413 /nfs/dbraw/zinc/04/14/13/405041413.db2.gz MPPQYXSXOZVXCB-NJAFHUGGSA-N 1 3 315.461 2.155 20 0 DEADHO COCCn1cc(CN2CCC(CCC[NH+](C)C)CC2)cn1 ZINC000354108409 405047698 /nfs/dbraw/zinc/04/76/98/405047698.db2.gz VMXSEKYSBLWZFB-UHFFFAOYSA-N 1 3 308.470 2.083 20 0 DEADHO CC(C)(C)[NH+]1CCC(NC(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000417168044 405051316 /nfs/dbraw/zinc/05/13/16/405051316.db2.gz AFCUQIRFKUAEDA-MRXNPFEDSA-N 1 3 318.465 2.249 20 0 DEADHO CC[C@@H]1CCCCN1C(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424295936 405061015 /nfs/dbraw/zinc/06/10/15/405061015.db2.gz RRMBKVQNOMQGJW-JKSUJKDBSA-N 1 3 307.482 2.242 20 0 DEADHO COc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000436242763 405063048 /nfs/dbraw/zinc/06/30/48/405063048.db2.gz ORGPZCALADLMHF-GASCZTMLSA-N 1 3 307.438 2.069 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000354142053 405064952 /nfs/dbraw/zinc/06/49/52/405064952.db2.gz GMYIJQKDXZZEBP-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO CCC[NH2+]CCNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000417218131 405065321 /nfs/dbraw/zinc/06/53/21/405065321.db2.gz GBSFOOMXJPUDEX-NVXWUHKLSA-N 1 3 318.465 2.121 20 0 DEADHO CCCCN1CCCC[C@@H]1CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436294951 405068596 /nfs/dbraw/zinc/06/85/96/405068596.db2.gz XWFPJAMXCLQUOI-JFIYKMOQSA-N 1 3 307.482 2.147 20 0 DEADHO CN(C)[C@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000416242219 405070049 /nfs/dbraw/zinc/07/00/49/405070049.db2.gz FIWMUSJBTJJIPE-HQSKLWIPSA-N 1 3 315.461 2.421 20 0 DEADHO CN(C)[C@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000416242219 405070052 /nfs/dbraw/zinc/07/00/52/405070052.db2.gz FIWMUSJBTJJIPE-HQSKLWIPSA-N 1 3 315.461 2.421 20 0 DEADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000417323219 405087547 /nfs/dbraw/zinc/08/75/47/405087547.db2.gz GHPXXHNNOIPZBA-PMPSAXMXSA-N 1 3 312.502 2.122 20 0 DEADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H](C)C[NH3+] ZINC000418023299 405109207 /nfs/dbraw/zinc/10/92/07/405109207.db2.gz BNTJTHWHTRJMSI-WBVHZDCISA-N 1 3 320.481 2.037 20 0 DEADHO CN(Cc1ccccc1)C1(CNC(=O)NCCCC[NH3+])CCC1 ZINC000418241604 405119097 /nfs/dbraw/zinc/11/90/97/405119097.db2.gz KJZNERQWVITDDE-UHFFFAOYSA-N 1 3 318.465 2.079 20 0 DEADHO Cc1cc([C@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cs1 ZINC000453104493 405284308 /nfs/dbraw/zinc/28/43/08/405284308.db2.gz UHQKBDQSPAIQGI-UONOGXRCSA-N 1 3 309.479 2.295 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000438576508 405251667 /nfs/dbraw/zinc/25/16/67/405251667.db2.gz IXVFRPUCQULFMB-WBVHZDCISA-N 1 3 307.482 2.384 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000438576508 405251670 /nfs/dbraw/zinc/25/16/70/405251670.db2.gz IXVFRPUCQULFMB-WBVHZDCISA-N 1 3 307.482 2.384 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)CC1([NH+](C)C)CCC1)N1CCCCC1 ZINC000438613531 405252720 /nfs/dbraw/zinc/25/27/20/405252720.db2.gz SMKXBDGIXQXYRO-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CCN(CC)[C@H](CNC(=O)NC[C@H](C)[NH+](C)C)c1ccccc1 ZINC000454199847 405308876 /nfs/dbraw/zinc/30/88/76/405308876.db2.gz WEIBNMXMQJYHNB-DOTOQJQBSA-N 1 3 320.481 2.319 20 0 DEADHO C[C@@H]([NH3+])C1CCN([C@H](C)C(=O)N2CCc3ccccc3C2)CC1 ZINC000420302139 405311187 /nfs/dbraw/zinc/31/11/87/405311187.db2.gz WHAJYOYSNIMGNV-HUUCEWRRSA-N 1 3 315.461 2.019 20 0 DEADHO CN(C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@H]1CCc2ccccc2C1 ZINC000420300941 405311606 /nfs/dbraw/zinc/31/16/06/405311606.db2.gz KTZOZXWKOKYWDV-ACRUOGEOSA-N 1 3 324.468 2.407 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN2C[C@@H]3CCCCN3C[C@H]2C)cc1 ZINC000420318042 405316844 /nfs/dbraw/zinc/31/68/44/405316844.db2.gz NQLUZRNOOIRJNU-NXHRZFHOSA-N 1 3 317.477 2.296 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@H](n3cccn3)C2)cc1 ZINC000420328162 405321367 /nfs/dbraw/zinc/32/13/67/405321367.db2.gz ZMEJGWAMMQMOKS-SJORKVTESA-N 1 3 314.433 2.271 20 0 DEADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H](n3cccn3)C2)cc1 ZINC000420328162 405321368 /nfs/dbraw/zinc/32/13/68/405321368.db2.gz ZMEJGWAMMQMOKS-SJORKVTESA-N 1 3 314.433 2.271 20 0 DEADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H](n3cccn3)C2)cc1 ZINC000420328162 405321369 /nfs/dbraw/zinc/32/13/69/405321369.db2.gz ZMEJGWAMMQMOKS-SJORKVTESA-N 1 3 314.433 2.271 20 0 DEADHO COC(=O)c1ccccc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420329559 405321423 /nfs/dbraw/zinc/32/14/23/405321423.db2.gz OREWKIWBHINECY-HUUCEWRRSA-N 1 3 302.418 2.295 20 0 DEADHO CC1CCC(NC(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000420330626 405322260 /nfs/dbraw/zinc/32/22/60/405322260.db2.gz AZHQRRDWBJHGGV-YZUHTNEWSA-N 1 3 307.482 2.003 20 0 DEADHO CCN(C(=O)[C@@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000420337278 405324289 /nfs/dbraw/zinc/32/42/89/405324289.db2.gz NAECJXJVADGVQG-ZACQAIPSSA-N 1 3 315.461 2.359 20 0 DEADHO CC[C@H](F)CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000440774198 405325421 /nfs/dbraw/zinc/32/54/21/405325421.db2.gz WTSJOHMKJOWVSZ-HNNXBMFYSA-N 1 3 315.477 2.151 20 0 DEADHO C[C@H](CNC(=O)C1CC[NH+](C2CC2)CC1)N1CCC(C)CC1 ZINC000426138196 405340543 /nfs/dbraw/zinc/34/05/43/405340543.db2.gz HOTUEBVDOZKEGR-OAHLLOKOSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1CCN(CCc2nc(-c3ccccc3)no2)C[C@@H]1C[NH3+] ZINC000420390728 405341727 /nfs/dbraw/zinc/34/17/27/405341727.db2.gz AGGHTZLZFQYSRL-ZFWWWQNUSA-N 1 3 300.406 2.196 20 0 DEADHO Cc1c(F)cccc1NC(=O)CCN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420420588 405348348 /nfs/dbraw/zinc/34/83/48/405348348.db2.gz XZJHLUWCDCPNEU-JSGCOSHPSA-N 1 3 307.413 2.379 20 0 DEADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@]3(C)CCC(=O)N3)CC2)C1 ZINC000453406465 405291421 /nfs/dbraw/zinc/29/14/21/405291421.db2.gz QZSCTKCVHJSBTK-KYJSFNMBSA-N 1 3 307.482 2.288 20 0 DEADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C[C@]3(C)CCC(=O)N3)CC2)C1 ZINC000453406465 405291425 /nfs/dbraw/zinc/29/14/25/405291425.db2.gz QZSCTKCVHJSBTK-KYJSFNMBSA-N 1 3 307.482 2.288 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000440206576 405306093 /nfs/dbraw/zinc/30/60/93/405306093.db2.gz LSJLWFKQBNBCRA-HZPDHXFCSA-N 1 3 312.502 2.231 20 0 DEADHO CC(C)N(CCN(C)C)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000440206576 405306096 /nfs/dbraw/zinc/30/60/96/405306096.db2.gz LSJLWFKQBNBCRA-HZPDHXFCSA-N 1 3 312.502 2.231 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N(C)C[C@H]1CCCN1C)C(C)C ZINC000420811923 405389135 /nfs/dbraw/zinc/38/91/35/405389135.db2.gz NONLUCGAPDMILL-MRXNPFEDSA-N 1 3 312.502 2.231 20 0 DEADHO CN(C[C@H]1CCCN1C)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000420913516 405403658 /nfs/dbraw/zinc/40/36/58/405403658.db2.gz JKYRSIQXRIKNOS-IAGOWNOFSA-N 1 3 324.513 2.233 20 0 DEADHO CCN1CCC([N@@H+]2CCCN(CCOCC3CCC3)CC2)CC1 ZINC000420978640 405419766 /nfs/dbraw/zinc/41/97/66/405419766.db2.gz JJAKEBCEZNLBIJ-UHFFFAOYSA-N 1 3 323.525 2.295 20 0 DEADHO CCN1CCC([N@H+]2CCCN(CCOCC3CCC3)CC2)CC1 ZINC000420978640 405419768 /nfs/dbraw/zinc/41/97/68/405419768.db2.gz JJAKEBCEZNLBIJ-UHFFFAOYSA-N 1 3 323.525 2.295 20 0 DEADHO CC(C)N1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000426465778 405362042 /nfs/dbraw/zinc/36/20/42/405362042.db2.gz CASCDRYDTQLDEY-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000454642077 405375542 /nfs/dbraw/zinc/37/55/42/405375542.db2.gz LHEBVUCZDZRHTD-ULQDDVLXSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@H]1CCC[C@@]1(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000448836238 405453937 /nfs/dbraw/zinc/45/39/37/405453937.db2.gz PAYFIYBKRIBCEG-HNAYVOBHSA-N 1 3 321.509 2.488 20 0 DEADHO CNC(=O)CCN[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638443156 405470892 /nfs/dbraw/zinc/47/08/92/405470892.db2.gz IGISLCHIMHXNDZ-DOTOQJQBSA-N 1 3 301.434 2.080 20 0 DEADHO CNC(=O)CCN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638443156 405470898 /nfs/dbraw/zinc/47/08/98/405470898.db2.gz IGISLCHIMHXNDZ-DOTOQJQBSA-N 1 3 301.434 2.080 20 0 DEADHO CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CCC(C[NH3+])CC2)cc1 ZINC000430628265 405471233 /nfs/dbraw/zinc/47/12/33/405471233.db2.gz VFVWWXWNYYDQGX-GJZGRUSLSA-N 1 3 317.477 2.485 20 0 DEADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](O)COc2cccc(CC)c2)C1 ZINC000577947838 405541515 /nfs/dbraw/zinc/54/15/15/405541515.db2.gz DIXPPQUSSUIXAK-ZWKOTPCHSA-N 1 3 320.477 2.310 20 0 DEADHO C[C@@H](CNC1CC[NH+](CC(C)(C)O)CC1)Oc1ccccc1F ZINC000638701883 405626407 /nfs/dbraw/zinc/62/64/07/405626407.db2.gz WPTFJMLQLIYNJX-AWEZNQCLSA-N 1 3 324.440 2.418 20 0 DEADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(C)CC1 ZINC000431563718 405643443 /nfs/dbraw/zinc/64/34/43/405643443.db2.gz IWBYVPQBQDZWMW-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO CO[C@](C)(CNC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1CC1 ZINC000638747683 405647850 /nfs/dbraw/zinc/64/78/50/405647850.db2.gz FFKAATFCTQVJIY-FGTMMUONSA-N 1 3 310.482 2.159 20 0 DEADHO CC[NH+](CC)CCCNC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000431772835 405673433 /nfs/dbraw/zinc/67/34/33/405673433.db2.gz MPABVPXONJAUHG-OAHLLOKOSA-N 1 3 312.502 2.138 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC000558651273 405680379 /nfs/dbraw/zinc/68/03/79/405680379.db2.gz ZRARPEFHPSOHRP-SJLPKXTDSA-N 1 3 317.477 2.355 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+][C@H]2C[C@H](O)C2(C)C)CC1 ZINC000494438997 405699862 /nfs/dbraw/zinc/69/98/62/405699862.db2.gz YGJAXKGTPYWDNK-ROUUACIJSA-N 1 3 317.477 2.078 20 0 DEADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H](N)C(C)(C)C ZINC000638834636 405702120 /nfs/dbraw/zinc/70/21/20/405702120.db2.gz HTEGDDBVNXZJKB-BHYGNILZSA-N 1 3 317.477 2.244 20 0 DEADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H](N)C(C)(C)C ZINC000638834636 405702124 /nfs/dbraw/zinc/70/21/24/405702124.db2.gz HTEGDDBVNXZJKB-BHYGNILZSA-N 1 3 317.477 2.244 20 0 DEADHO C[C@@H]1CN(Cc2cccc(CN[C@H]3CCC[C@H]3C[NH3+])c2)CCO1 ZINC000422908102 405691600 /nfs/dbraw/zinc/69/16/00/405691600.db2.gz YAPFJVGMQZEBFM-MNEFBYGVSA-N 1 3 317.477 2.124 20 0 DEADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000449720060 405708165 /nfs/dbraw/zinc/70/81/65/405708165.db2.gz IECMPXOXWWHRNC-PBHICJAKSA-N 1 3 301.434 2.140 20 0 DEADHO C[C@@H](C(=O)NCc1cccc2c1CC[NH2+]C2)N1CCCCCC1 ZINC000638843172 405708277 /nfs/dbraw/zinc/70/82/77/405708277.db2.gz BLQJRXADRIYQID-HNNXBMFYSA-N 1 3 315.461 2.213 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](N)c2ccccc2)[C@@H](C)C1 ZINC000423246777 405734324 /nfs/dbraw/zinc/73/43/24/405734324.db2.gz PZOCGICESJMERY-UHOSZYNNSA-N 1 3 319.493 2.413 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](N)c2ccccc2)[C@@H](C)C1 ZINC000423246777 405734330 /nfs/dbraw/zinc/73/43/30/405734330.db2.gz PZOCGICESJMERY-UHOSZYNNSA-N 1 3 319.493 2.413 20 0 DEADHO C[C@]1(C[NH2+]C2CCN(Cc3ccccn3)CC2)CCCNC1 ZINC000423323547 405762471 /nfs/dbraw/zinc/76/24/71/405762471.db2.gz IBYNSBSHDFMSMT-SFHVURJKSA-N 1 3 302.466 2.025 20 0 DEADHO CC(C)[C@@H](C(=O)NCCCN1CCc2ccccc2C1)[C@H](C)[NH3+] ZINC000423319229 405758342 /nfs/dbraw/zinc/75/83/42/405758342.db2.gz DHMVSMQZGYFQFO-MAUKXSAKSA-N 1 3 317.477 2.170 20 0 DEADHO CN1CCC([NH2+][C@H]2CNCC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000423362911 405778104 /nfs/dbraw/zinc/77/81/04/405778104.db2.gz INCILZRVVNRSAJ-PBHICJAKSA-N 1 3 309.404 2.094 20 0 DEADHO CC(C)(C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)[C@H](N)c1ccccc1 ZINC000638949416 405779050 /nfs/dbraw/zinc/77/90/50/405779050.db2.gz ADELFIVLKFMAFR-FVQBIDKESA-N 1 3 303.450 2.346 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)CC2(C[NH3+])CC2)CC1 ZINC000423388962 405787330 /nfs/dbraw/zinc/78/73/30/405787330.db2.gz UPGLUAOEIAMSQX-OAHLLOKOSA-N 1 3 315.461 2.457 20 0 DEADHO Cc1ccc(CN2CCCC2)cc1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000560392156 405805509 /nfs/dbraw/zinc/80/55/09/405805509.db2.gz QFVZHLXCJNGORK-MRXNPFEDSA-N 1 3 301.434 2.481 20 0 DEADHO Cc1ccc(CN2CCCC2)cc1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000560392156 405805519 /nfs/dbraw/zinc/80/55/19/405805519.db2.gz QFVZHLXCJNGORK-MRXNPFEDSA-N 1 3 301.434 2.481 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423438041 405807189 /nfs/dbraw/zinc/80/71/89/405807189.db2.gz UVYJIMGDAKCKQC-XYPHTWIQSA-N 1 3 315.461 2.312 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])C2)cc1 ZINC000639002028 405813129 /nfs/dbraw/zinc/81/31/29/405813129.db2.gz SUDXONTZWKKUAE-SZMVWBNQSA-N 1 3 317.477 2.305 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)CC[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000639003724 405815030 /nfs/dbraw/zinc/81/50/30/405815030.db2.gz CBPAAFOKVAZNPU-ZWKOTPCHSA-N 1 3 315.461 2.218 20 0 DEADHO C[C@@H](Cc1ccc(F)cc1Br)NCC1C[NH2+]C1 ZINC000423328107 405763768 /nfs/dbraw/zinc/76/37/68/405763768.db2.gz RZQQBNMGYZEBHS-VIFPVBQESA-N 1 3 301.203 2.328 20 0 DEADHO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CC1CNC1 ZINC000423328107 405763774 /nfs/dbraw/zinc/76/37/74/405763774.db2.gz RZQQBNMGYZEBHS-VIFPVBQESA-N 1 3 301.203 2.328 20 0 DEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]1(C)CCCNC1 ZINC000423335703 405765669 /nfs/dbraw/zinc/76/56/69/405765669.db2.gz RWJVPCXBGVWQLO-NZSAHSFTSA-N 1 3 316.493 2.271 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@H](C[NH3+])C(C)C)N2CCCC2)cc1 ZINC000433151711 405880630 /nfs/dbraw/zinc/88/06/30/405880630.db2.gz ZVDGEBOZRCFTAQ-QZTJIDSGSA-N 1 3 317.477 2.479 20 0 DEADHO Cc1cccc(CN2CC[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC000636328101 405895905 /nfs/dbraw/zinc/89/59/05/405895905.db2.gz SABYSYPWHFGRRP-QZTJIDSGSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1cccc(CN2CC[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)c1 ZINC000636328101 405895906 /nfs/dbraw/zinc/89/59/06/405895906.db2.gz SABYSYPWHFGRRP-QZTJIDSGSA-N 1 3 315.461 2.027 20 0 DEADHO CN[C@@H](CC(C)(C)C)C(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000639068128 405858267 /nfs/dbraw/zinc/85/82/67/405858267.db2.gz QXPATJUUMGUBDX-ZFWWWQNUSA-N 1 3 303.450 2.490 20 0 DEADHO N[C@@H](CC1CCCCC1)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000423582659 405861468 /nfs/dbraw/zinc/86/14/68/405861468.db2.gz BAMSITZTFCTSDW-KRWDZBQOSA-N 1 3 301.434 2.204 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)NC(C)(C)CN(C)C)CC(C)C ZINC000457636259 405930181 /nfs/dbraw/zinc/93/01/81/405930181.db2.gz ZIQSTJDDLVBCET-OAHLLOKOSA-N 1 3 314.518 2.382 20 0 DEADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[C@@H](N)c2ccccc2)C1 ZINC000423790592 405967237 /nfs/dbraw/zinc/96/72/37/405967237.db2.gz XTXBBNOKUAUKQU-GVDBMIGSSA-N 1 3 301.434 2.019 20 0 DEADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[C@@H](N)c2ccccc2)C1 ZINC000423790592 405967246 /nfs/dbraw/zinc/96/72/46/405967246.db2.gz XTXBBNOKUAUKQU-GVDBMIGSSA-N 1 3 301.434 2.019 20 0 DEADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000423737582 405938242 /nfs/dbraw/zinc/93/82/42/405938242.db2.gz CSLOSQHSQPOKGW-AWEZNQCLSA-N 1 3 323.868 2.230 20 0 DEADHO COc1cccc(C)c1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000639169589 405942301 /nfs/dbraw/zinc/94/23/01/405942301.db2.gz GOIBXARKCRVPME-UHFFFAOYSA-N 1 3 319.493 2.461 20 0 DEADHO CO[C@@H](C[N@@H+]1CC[C@@H](C2CCN(C)CC2)C1)C1CCOCC1 ZINC000639176599 405947561 /nfs/dbraw/zinc/94/75/61/405947561.db2.gz HZNSLBVFNUATPH-MSOLQXFVSA-N 1 3 310.482 2.092 20 0 DEADHO CO[C@@H](C[N@H+]1CC[C@@H](C2CCN(C)CC2)C1)C1CCOCC1 ZINC000639176599 405947563 /nfs/dbraw/zinc/94/75/63/405947563.db2.gz HZNSLBVFNUATPH-MSOLQXFVSA-N 1 3 310.482 2.092 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000423758959 405950720 /nfs/dbraw/zinc/95/07/20/405950720.db2.gz KXXQUHXSZATTOB-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C[C@H](N)c1ccccc1 ZINC000423761424 405951593 /nfs/dbraw/zinc/95/15/93/405951593.db2.gz OQUSNZBUMQEIHW-YOEHRIQHSA-N 1 3 303.450 2.265 20 0 DEADHO CN(CCC(=O)N[C@@H]1CCCc2ccccc21)C1CC[NH2+]CC1 ZINC000433487145 405954377 /nfs/dbraw/zinc/95/43/77/405954377.db2.gz OTTGQCVHSODUTN-GOSISDBHSA-N 1 3 315.461 2.254 20 0 DEADHO C[N@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)C1CCNCC1 ZINC000433487145 405954382 /nfs/dbraw/zinc/95/43/82/405954382.db2.gz OTTGQCVHSODUTN-GOSISDBHSA-N 1 3 315.461 2.254 20 0 DEADHO C[N@@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)C1CCNCC1 ZINC000433487145 405954387 /nfs/dbraw/zinc/95/43/87/405954387.db2.gz OTTGQCVHSODUTN-GOSISDBHSA-N 1 3 315.461 2.254 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000423777043 405960170 /nfs/dbraw/zinc/96/01/70/405960170.db2.gz OMDRMSABPFMFJI-DKIMLUQUSA-N 1 3 315.461 2.011 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000531052185 405900308 /nfs/dbraw/zinc/90/03/08/405900308.db2.gz BKDAZXUZRBPEKB-MRXNPFEDSA-N 1 3 303.450 2.208 20 0 DEADHO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000531052185 405900313 /nfs/dbraw/zinc/90/03/13/405900313.db2.gz BKDAZXUZRBPEKB-MRXNPFEDSA-N 1 3 303.450 2.208 20 0 DEADHO CN1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000531151935 405917263 /nfs/dbraw/zinc/91/72/63/405917263.db2.gz XNKWCJDHHFQHCE-JKSUJKDBSA-N 1 3 307.482 2.099 20 0 DEADHO CN1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000531151935 405917271 /nfs/dbraw/zinc/91/72/71/405917271.db2.gz XNKWCJDHHFQHCE-JKSUJKDBSA-N 1 3 307.482 2.099 20 0 DEADHO CO[C@](C)(CNC1CC[NH+](CC(C)(C)O)CC1)c1ccccc1 ZINC000639229453 405989561 /nfs/dbraw/zinc/98/95/61/405989561.db2.gz WRVVOEUZICHQKC-LJQANCHMSA-N 1 3 320.477 2.373 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000433926368 406000679 /nfs/dbraw/zinc/00/06/79/406000679.db2.gz KNMBXOLXIKLKNG-UAGQMJEPSA-N 1 3 322.497 2.175 20 0 DEADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000433947351 406001868 /nfs/dbraw/zinc/00/18/68/406001868.db2.gz CRQATWXYOAAXLW-IRXDYDNUSA-N 1 3 322.497 2.129 20 0 DEADHO CCNCCC[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000497257573 406040725 /nfs/dbraw/zinc/04/07/25/406040725.db2.gz PGNVTUODJBTBTB-UHFFFAOYSA-N 1 3 319.449 2.377 20 0 DEADHO CC[NH2+]CCCNC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000497257573 406040732 /nfs/dbraw/zinc/04/07/32/406040732.db2.gz PGNVTUODJBTBTB-UHFFFAOYSA-N 1 3 319.449 2.377 20 0 DEADHO CC[C@@H](C)N[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1C)c1ccco1 ZINC000637139434 406188376 /nfs/dbraw/zinc/18/83/76/406188376.db2.gz KRYQDJYBLLVMML-RBSFLKMASA-N 1 3 322.453 2.102 20 0 DEADHO CC[C@@H](C)N[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1C)c1ccco1 ZINC000637139434 406188378 /nfs/dbraw/zinc/18/83/78/406188378.db2.gz KRYQDJYBLLVMML-RBSFLKMASA-N 1 3 322.453 2.102 20 0 DEADHO C[NH+]1CCC2(CCN([C@@H]3CCN(C4CCCCC4)C3=O)C2)CC1 ZINC000639758989 406238343 /nfs/dbraw/zinc/23/83/43/406238343.db2.gz YYXHKFAGNKAUJQ-QGZVFWFLSA-N 1 3 319.493 2.338 20 0 DEADHO C[C@@H](C(=O)NC1CCC(C)CC1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639759580 406238534 /nfs/dbraw/zinc/23/85/34/406238534.db2.gz BWVMASRVNSKWDU-CGZBRXJRSA-N 1 3 321.509 2.488 20 0 DEADHO CCc1cc(N2CCC[C@H]([NH2+][C@@H](C)[C@H]3CCCCN3)C2)ncn1 ZINC000569330801 406239252 /nfs/dbraw/zinc/23/92/52/406239252.db2.gz PQIKMOZDMFFKEC-BHYGNILZSA-N 1 3 317.481 2.128 20 0 DEADHO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639762427 406239418 /nfs/dbraw/zinc/23/94/18/406239418.db2.gz LEIGNQKEGZWJIX-IKGGRYGDSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1nc(CN2CCC(CN[C@H](C)[C@@H]3CCC[NH2+]3)CC2)oc1C ZINC000569473031 406259900 /nfs/dbraw/zinc/25/99/00/406259900.db2.gz UVCNXQUPKUMVSF-PBHICJAKSA-N 1 3 320.481 2.234 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)N2CCCN(C(C)(C)C)CC2)CC1 ZINC000520202950 406274642 /nfs/dbraw/zinc/27/46/42/406274642.db2.gz QLNRZMKBJIUCOM-UHFFFAOYSA-N 1 3 324.513 2.375 20 0 DEADHO CC[NH2+]CCCNC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000520548677 406300384 /nfs/dbraw/zinc/30/03/84/406300384.db2.gz HHZPCNHMLWPXDA-INIZCTEOSA-N 1 3 306.454 2.109 20 0 DEADHO NCc1cn([C@@H]2CC[N@H+](Cc3cc4ccccc4s3)C2)nn1 ZINC000635000616 406393244 /nfs/dbraw/zinc/39/32/44/406393244.db2.gz RVVSBDNWNRRTLC-CQSZACIVSA-N 1 3 313.430 2.399 20 0 DEADHO NCc1cn([C@@H]2CC[N@@H+](Cc3cc4ccccc4s3)C2)nn1 ZINC000635000616 406393253 /nfs/dbraw/zinc/39/32/53/406393253.db2.gz RVVSBDNWNRRTLC-CQSZACIVSA-N 1 3 313.430 2.399 20 0 DEADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccnc(N2CCSCC2)c1 ZINC000635009933 406398295 /nfs/dbraw/zinc/39/82/95/406398295.db2.gz PFDMDGNOYUULDJ-HZPDHXFCSA-N 1 3 320.506 2.384 20 0 DEADHO C[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1cncc(F)c1 ZINC000635009247 406398615 /nfs/dbraw/zinc/39/86/15/406398615.db2.gz MSDANCWCVGPLPW-GFCCVEGCSA-N 1 3 301.369 2.198 20 0 DEADHO FC(F)(F)c1ccn(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000635014072 406400784 /nfs/dbraw/zinc/40/07/84/406400784.db2.gz LWWLWJBRDOTKIF-XQQFMLRXSA-N 1 3 316.371 2.412 20 0 DEADHO C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000525223962 406477030 /nfs/dbraw/zinc/47/70/30/406477030.db2.gz YLLSFXNUPOADNK-FUHWJXTLSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000525223962 406477035 /nfs/dbraw/zinc/47/70/35/406477035.db2.gz YLLSFXNUPOADNK-FUHWJXTLSA-N 1 3 315.461 2.061 20 0 DEADHO CC1CCC(N2CCN(C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)CC1 ZINC000570817435 406442866 /nfs/dbraw/zinc/44/28/66/406442866.db2.gz WQFHNXYWVQCUGT-VUROTCPHSA-N 1 3 322.497 2.020 20 0 DEADHO CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CCN2C2CCCC2)CC1 ZINC000635191047 406454883 /nfs/dbraw/zinc/45/48/83/406454883.db2.gz FGZIEWMRLGNHRV-QGZVFWFLSA-N 1 3 307.482 2.335 20 0 DEADHO CC[NH2+][C@H](C)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000638099789 406568482 /nfs/dbraw/zinc/56/84/82/406568482.db2.gz JEUYYIZULBFLGA-CABCVRRESA-N 1 3 303.450 2.326 20 0 DEADHO C[C@H](CNCCC(=O)Nc1cccnc1)C[NH+]1CCCCC1 ZINC000571551690 406535800 /nfs/dbraw/zinc/53/58/00/406535800.db2.gz TXZWAVNTOCPBLR-OAHLLOKOSA-N 1 3 304.438 2.122 20 0 DEADHO C[C@H](C[NH2+]CCC(=O)Nc1cccnc1)CN1CCCCC1 ZINC000571551690 406535805 /nfs/dbraw/zinc/53/58/05/406535805.db2.gz TXZWAVNTOCPBLR-OAHLLOKOSA-N 1 3 304.438 2.122 20 0 DEADHO C[C@H]1C[C@H](NC(=O)N(C)CCC[NH3+])CCN1Cc1ccccc1 ZINC000571626090 406544239 /nfs/dbraw/zinc/54/42/39/406544239.db2.gz SMXMBVZGBORWAO-DOTOQJQBSA-N 1 3 318.465 2.030 20 0 DEADHO CCN[C@@H](C)C(=O)Nc1ccccc1OCC[NH+](CC)CC ZINC000638059947 406549740 /nfs/dbraw/zinc/54/97/40/406549740.db2.gz IXQGSBINGGHVGF-AWEZNQCLSA-N 1 3 307.438 2.344 20 0 DEADHO CCC[C@@H](C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1)OC ZINC000638152110 406595335 /nfs/dbraw/zinc/59/53/35/406595335.db2.gz IULKFVDYONFHRS-SFHVURJKSA-N 1 3 311.514 2.292 20 0 DEADHO CN(CC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)CC(C)(C)C ZINC000635588834 406605884 /nfs/dbraw/zinc/60/58/84/406605884.db2.gz JLTISOBBEYRQFI-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC000635619833 406628658 /nfs/dbraw/zinc/62/86/58/406628658.db2.gz NHMUBNUFJRPJLL-QGZVFWFLSA-N 1 3 315.461 2.061 20 0 DEADHO CC(C)(CNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1)N1CCCCC1 ZINC000635527807 406576215 /nfs/dbraw/zinc/57/62/15/406576215.db2.gz MWUJWMIONJOQGX-SHTZXODSSA-N 1 3 310.486 2.068 20 0 DEADHO C[C@@H]1CCN(C(=O)C2=CC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000638132215 406586546 /nfs/dbraw/zinc/58/65/46/406586546.db2.gz UYXVPPBDCZMNJC-QAPCUYQASA-N 1 3 313.445 2.157 20 0 DEADHO O=C([C@H]1CCN1C1CCCC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000635556839 406588693 /nfs/dbraw/zinc/58/86/93/406588693.db2.gz VXFQOYFHUUUWBP-GOSISDBHSA-N 1 3 319.493 2.338 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000527653418 406705784 /nfs/dbraw/zinc/70/57/84/406705784.db2.gz TYIJWLAEKXRELS-IRXDYDNUSA-N 1 3 322.497 2.177 20 0 DEADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000527653418 406705790 /nfs/dbraw/zinc/70/57/90/406705790.db2.gz TYIJWLAEKXRELS-IRXDYDNUSA-N 1 3 322.497 2.177 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527653418 406705796 /nfs/dbraw/zinc/70/57/96/406705796.db2.gz TYIJWLAEKXRELS-IRXDYDNUSA-N 1 3 322.497 2.177 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527653418 406705802 /nfs/dbraw/zinc/70/58/02/406705802.db2.gz TYIJWLAEKXRELS-IRXDYDNUSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000646014466 406744456 /nfs/dbraw/zinc/74/44/56/406744456.db2.gz YTIWAPQKDIWKEE-WMLDXEAASA-N 1 3 315.461 2.326 20 0 DEADHO C[NH+](C)C/C=C\C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000491893493 406767395 /nfs/dbraw/zinc/76/73/95/406767395.db2.gz PBEYDUCORZZYBR-PODYEWJSSA-N 1 3 307.463 2.119 20 0 DEADHO C[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)CS1 ZINC000638368507 406728752 /nfs/dbraw/zinc/72/87/52/406728752.db2.gz XRDNYWWUGSDYTF-YJBOKZPZSA-N 1 3 319.518 2.418 20 0 DEADHO C[C@H]([NH3+])CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000641414119 406798480 /nfs/dbraw/zinc/79/84/80/406798480.db2.gz VOFBNONRIQOCLA-ZOBUZTSGSA-N 1 3 318.465 2.028 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000646181047 406810237 /nfs/dbraw/zinc/81/02/37/406810237.db2.gz RGADBJPYFBYRBX-UXLLHSPISA-N 1 3 318.465 2.249 20 0 DEADHO C[C@H](C(=O)N1CCC2(C1)CC[NH+](C)CC2)N1[C@H](C)CC[C@@H]1C ZINC000646250219 406825899 /nfs/dbraw/zinc/82/58/99/406825899.db2.gz JEAZIFZDXZVGKU-OWCLPIDISA-N 1 3 307.482 2.192 20 0 DEADHO COC(=O)COc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000554887703 406828117 /nfs/dbraw/zinc/82/81/17/406828117.db2.gz OOZALSMBUHJDRB-RHSMWYFYSA-N 1 3 320.433 2.010 20 0 DEADHO COC(=O)COc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000554887703 406828119 /nfs/dbraw/zinc/82/81/19/406828119.db2.gz OOZALSMBUHJDRB-RHSMWYFYSA-N 1 3 320.433 2.010 20 0 DEADHO CC1(C(=O)N2CC[C@H](C[NH3+])C2)CCN(Cc2ccccc2)CC1 ZINC000646670154 406891976 /nfs/dbraw/zinc/89/19/76/406891976.db2.gz GIIQAPIITFPETK-QGZVFWFLSA-N 1 3 315.461 2.096 20 0 DEADHO CCc1nc(C)c(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)o1 ZINC000641817966 406901356 /nfs/dbraw/zinc/90/13/56/406901356.db2.gz ALMGGCSAMMUPEM-KKUMJFAQSA-N 1 3 307.438 2.264 20 0 DEADHO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(Nc4ccncc4)cc3)[C@@H]2C1 ZINC000646937263 406930094 /nfs/dbraw/zinc/93/00/94/406930094.db2.gz ITEGUOYAGGDORF-CRAIPNDOSA-N 1 3 322.412 2.023 20 0 DEADHO C[N@H+]1C[C@H]2CCN(C(=O)c3ccc(Nc4ccncc4)cc3)[C@@H]2C1 ZINC000646937263 406930097 /nfs/dbraw/zinc/93/00/97/406930097.db2.gz ITEGUOYAGGDORF-CRAIPNDOSA-N 1 3 322.412 2.023 20 0 DEADHO C[C@H](C[NH3+])NC(=O)c1ccccc1OCCN1CCCC[C@@H]1C ZINC000646969561 406933930 /nfs/dbraw/zinc/93/39/30/406933930.db2.gz VSPCQTKCWRYVGG-CABCVRRESA-N 1 3 319.449 2.017 20 0 DEADHO CN(C)Cc1ccc(C(=O)N(CC[NH3+])Cc2ccccc2)cc1 ZINC000646969125 406934149 /nfs/dbraw/zinc/93/41/49/406934149.db2.gz ZVWPIUDVONTETP-UHFFFAOYSA-N 1 3 311.429 2.349 20 0 DEADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1cccc(-n2cnnn2)c1 ZINC000643523456 407010842 /nfs/dbraw/zinc/01/08/42/407010842.db2.gz MEEZBYASYPXPAF-CYBMUJFWSA-N 1 3 320.400 2.116 20 0 DEADHO C[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000643538682 407012061 /nfs/dbraw/zinc/01/20/61/407012061.db2.gz RPKAZPUXJGTKOT-DKIMLUQUSA-N 1 3 305.441 2.187 20 0 DEADHO Clc1ccc2nc(CN[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cn2c1 ZINC000647788087 407050765 /nfs/dbraw/zinc/05/07/65/407050765.db2.gz CAJNTJCAHRRHCI-OUCADQQQSA-N 1 3 304.825 2.465 20 0 DEADHO [NH3+]Cc1ccc(CNCc2ccc(C(=O)NC3CC3)cc2)cc1 ZINC000647552966 407019639 /nfs/dbraw/zinc/01/96/39/407019639.db2.gz DVCFDPNJVPVPCL-UHFFFAOYSA-N 1 3 309.413 2.327 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC2(C1)CC[NH+](C)CC2)N1CCCCC1 ZINC000647725045 407041105 /nfs/dbraw/zinc/04/11/05/407041105.db2.gz JTTCLHXZAVRXGI-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C(=O)N1CCCC1)C(C)C ZINC000643470309 407004281 /nfs/dbraw/zinc/00/42/81/407004281.db2.gz BIXCJBAAUQIQCA-YOEHRIQHSA-N 1 3 318.465 2.146 20 0 DEADHO O[C@@H]1CCCC[C@H]1N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643482559 407005423 /nfs/dbraw/zinc/00/54/23/407005423.db2.gz NGISJYBIAHZCEV-KYHPRHEASA-N 1 3 302.418 2.135 20 0 DEADHO COc1cccc(-c2n[nH]cc2CN2CCC(C[NH3+])CC2)c1 ZINC000647482186 407005930 /nfs/dbraw/zinc/00/59/30/407005930.db2.gz KWMANJXHTYTLPD-UHFFFAOYSA-N 1 3 300.406 2.256 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000643489640 407006638 /nfs/dbraw/zinc/00/66/38/407006638.db2.gz POYVATQUZNWKOE-CZIOMAOESA-N 1 3 304.434 2.249 20 0 DEADHO C[C@@H]1CCCCN1C(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977147 407092375 /nfs/dbraw/zinc/09/23/75/407092375.db2.gz YKPCVSBEHGUUHW-IKGGRYGDSA-N 1 3 307.482 2.099 20 0 DEADHO CC[C@@H]1CN(CCC(=O)Nc2cccc(OC)c2)CC[C@H]1[NH3+] ZINC000647936490 407079440 /nfs/dbraw/zinc/07/94/40/407079440.db2.gz GGGPDMCEZSIZFF-CZUORRHYSA-N 1 3 305.422 2.083 20 0 DEADHO CC[C@H]1CN(CCC(=O)NCc2ccccc2Cl)CC[C@@H]1[NH3+] ZINC000647938360 407079888 /nfs/dbraw/zinc/07/98/88/407079888.db2.gz KQQAENHBBISQPP-BBRMVZONSA-N 1 3 323.868 2.406 20 0 DEADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(C)cc2C)C1 ZINC000644530205 407137090 /nfs/dbraw/zinc/13/70/90/407137090.db2.gz WIOBJUFEUDTHPT-ZWKOTPCHSA-N 1 3 320.477 2.365 20 0 DEADHO CN(C)CCOc1ccc(CC[NH2+]CC2(O)CCCC2)cc1 ZINC000644546676 407139942 /nfs/dbraw/zinc/13/99/42/407139942.db2.gz PFNYCSMEKDPLMA-UHFFFAOYSA-N 1 3 306.450 2.064 20 0 DEADHO CN(C[C@@H](O)CNc1ccc2c(c1)CC[C@H]2[NH+](C)C)C1CC1 ZINC000644702987 407170384 /nfs/dbraw/zinc/17/03/84/407170384.db2.gz UCUAMAKRYMICIQ-FUHWJXTLSA-N 1 3 303.450 2.103 20 0 DEADHO CCCN(C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)[C@@H]1CCN(C)C1 ZINC000645264092 407255716 /nfs/dbraw/zinc/25/57/16/407255716.db2.gz ZCBPEFSCTSIIMR-DLBZAZTESA-N 1 3 324.513 2.233 20 0 DEADHO CCCN(C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)[C@@H]1CCN(C)C1 ZINC000645264092 407255718 /nfs/dbraw/zinc/25/57/18/407255718.db2.gz ZCBPEFSCTSIIMR-DLBZAZTESA-N 1 3 324.513 2.233 20 0 DEADHO CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)cc1 ZINC000644821933 407199274 /nfs/dbraw/zinc/19/92/74/407199274.db2.gz NIGVFQDKIXBVMP-ZWKOTPCHSA-N 1 3 315.461 2.305 20 0 DEADHO CCCN(C(=O)NC[C@@H](C)C[NH+]1CCCCC1)[C@@H]1CCN(C)C1 ZINC000645195962 407244906 /nfs/dbraw/zinc/24/49/06/407244906.db2.gz CCNFQOUUIAMUSJ-IAGOWNOFSA-N 1 3 324.513 2.234 20 0 DEADHO CC[NH2+]CCCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000570306715 292475836 /nfs/dbraw/zinc/47/58/36/292475836.db2.gz SWBDZLGJDCEVPK-CQSZACIVSA-N 1 3 324.494 2.184 20 0 DEADHO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414187932 287219362 /nfs/dbraw/zinc/21/93/62/287219362.db2.gz IPACYQGBZHHWFX-IAGOWNOFSA-N 1 3 323.525 2.197 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000131659468 196189369 /nfs/dbraw/zinc/18/93/69/196189369.db2.gz ONASORXMYINTJE-HUUCEWRRSA-N 1 3 322.497 2.127 20 0 DEADHO CC[C@@](CNC[C@H]1CCC[NH2+]C1)(C(=O)OC)c1ccccc1 ZINC000415138920 287399400 /nfs/dbraw/zinc/39/94/00/287399400.db2.gz KUVPSHLESHOWGW-YJBOKZPZSA-N 1 3 304.434 2.097 20 0 DEADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc2c(c1)CNC2 ZINC000415988242 228760370 /nfs/dbraw/zinc/76/03/70/228760370.db2.gz CEOSXLIGSMYSRQ-CXAGYDPISA-N 1 3 314.433 2.380 20 0 DEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)NC[C@H](N)c1ccccc1 ZINC000418037280 229196829 /nfs/dbraw/zinc/19/68/29/229196829.db2.gz GIQUXXQWIDAYFP-WBVHZDCISA-N 1 3 318.465 2.250 20 0 DEADHO C[C@@H](NC(=O)NC1(C)CC[NH2+]CC1)[C@@H](c1ccccc1)N(C)C ZINC000418175447 229255880 /nfs/dbraw/zinc/25/58/80/229255880.db2.gz FVWWWDCKKNHYMD-ZBFHGGJFSA-N 1 3 318.465 2.119 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418345877 229317252 /nfs/dbraw/zinc/31/72/52/229317252.db2.gz UBAQSXXQPRUHSO-INIZCTEOSA-N 1 3 324.513 2.140 20 0 DEADHO COC1([C@H](C)NCc2ccncc2OCC[NH+](C)C)CCCC1 ZINC000421851578 230010091 /nfs/dbraw/zinc/01/00/91/230010091.db2.gz GMHBDWFMLKRFJQ-HNNXBMFYSA-N 1 3 321.465 2.459 20 0 DEADHO CN(C[C@H]1CCCN1C)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000422036158 230056897 /nfs/dbraw/zinc/05/68/97/230056897.db2.gz MUKFDJGQPVHTLH-SJORKVTESA-N 1 3 303.450 2.232 20 0 DEADHO CN(C)[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000422128523 230077677 /nfs/dbraw/zinc/07/76/77/230077677.db2.gz FNSMEHQRTVMKOI-DLBZAZTESA-N 1 3 318.465 2.025 20 0 DEADHO CN(C)[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000422128523 230077680 /nfs/dbraw/zinc/07/76/80/230077680.db2.gz FNSMEHQRTVMKOI-DLBZAZTESA-N 1 3 318.465 2.025 20 0 DEADHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCc2sccc2C1 ZINC000422712620 230171515 /nfs/dbraw/zinc/17/15/15/230171515.db2.gz IQIRSTGTKSVYBC-SLHHOWHOSA-N 1 3 305.491 2.367 20 0 DEADHO COCCN(C)CC[C@H](N[C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000422712704 230172179 /nfs/dbraw/zinc/17/21/79/230172179.db2.gz ITIYNODABHIWFF-OKZBNKHCSA-N 1 3 305.466 2.165 20 0 DEADHO COCCN(C)CC[C@H](N[C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000422712700 230173049 /nfs/dbraw/zinc/17/30/49/230173049.db2.gz ITIYNODABHIWFF-BZSNNMDCSA-N 1 3 305.466 2.165 20 0 DEADHO N[C@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422723753 230180318 /nfs/dbraw/zinc/18/03/18/230180318.db2.gz SIGFKLOFXWUJPQ-IRXDYDNUSA-N 1 3 309.404 2.399 20 0 DEADHO [NH3+][C@H]1CCC[C@@H]1NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422723753 230180319 /nfs/dbraw/zinc/18/03/19/230180319.db2.gz SIGFKLOFXWUJPQ-IRXDYDNUSA-N 1 3 309.404 2.399 20 0 DEADHO CN(C)C(=O)C1(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CCCC1 ZINC000422729857 230181634 /nfs/dbraw/zinc/18/16/34/230181634.db2.gz LDLMWZMJVDVEKL-ARFHVFGLSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000422897614 230268053 /nfs/dbraw/zinc/26/80/53/230268053.db2.gz CHFKSVROLLJQMO-GARJFASQSA-N 1 3 321.248 2.449 20 0 DEADHO c1ccc2c(c1)CC[C@@H]2CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422913052 230276784 /nfs/dbraw/zinc/27/67/84/230276784.db2.gz XNXHPFAJFWLWAN-QXCFHYIPSA-N 1 3 300.446 2.463 20 0 DEADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422928210 230280554 /nfs/dbraw/zinc/28/05/54/230280554.db2.gz JNGZTLWZIHTOHN-TZMCWYRMSA-N 1 3 310.825 2.371 20 0 DEADHO Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)c2ccc(CN)nc2C)c1 ZINC000423060309 230331481 /nfs/dbraw/zinc/33/14/81/230331481.db2.gz OEEFKBFVBNKISK-MAUKXSAKSA-N 1 3 313.445 2.411 20 0 DEADHO [NH3+][C@H]1CCC[C@@H]1NCCCOc1ccc(C(F)(F)F)cn1 ZINC000423070571 230336522 /nfs/dbraw/zinc/33/65/22/230336522.db2.gz GFNKBEZALPZQPC-RYUDHWBXSA-N 1 3 303.328 2.339 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H]1CSCCN1Cc1ccccc1 ZINC000423073997 230341006 /nfs/dbraw/zinc/34/10/06/230341006.db2.gz KLJMBIGWLDGTBV-BZSNNMDCSA-N 1 3 319.518 2.321 20 0 DEADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CSCCN1Cc1ccccc1 ZINC000423073997 230341012 /nfs/dbraw/zinc/34/10/12/230341012.db2.gz KLJMBIGWLDGTBV-BZSNNMDCSA-N 1 3 319.518 2.321 20 0 DEADHO [NH3+]CC1CCC(NCc2ccncc2OC[C@H]2CCOC2)CC1 ZINC000423120830 230356163 /nfs/dbraw/zinc/35/61/63/230356163.db2.gz HTXBOEPHRPOTTG-CKDBGZEDSA-N 1 3 319.449 2.104 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)CCC(C)(C)[NH3+])CN1Cc1ccccc1 ZINC000398102963 424922211 /nfs/dbraw/zinc/92/22/11/424922211.db2.gz ZWQACYZKMPEUIS-GDBMZVCRSA-N 1 3 303.450 2.283 20 0 DEADHO C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1nnc2n1CCCCC2 ZINC000400969169 424922963 /nfs/dbraw/zinc/92/29/63/424922963.db2.gz OMGZRULPNDHVQY-BYNSBNAKSA-N 1 3 303.454 2.043 20 0 DEADHO CCCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CCN(C)C1 ZINC000649000872 424940980 /nfs/dbraw/zinc/94/09/80/424940980.db2.gz FCCOMRZOELLOFI-QGZVFWFLSA-N 1 3 303.450 2.305 20 0 DEADHO CC1(C)C[NH2+][C@H]1C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000649293730 424986828 /nfs/dbraw/zinc/98/68/28/424986828.db2.gz GUEHPRMGTJIKCW-SJORKVTESA-N 1 3 315.461 2.328 20 0 DEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649323777 424992705 /nfs/dbraw/zinc/99/27/05/424992705.db2.gz YVUCNRGXBDCVMU-NZPGVSJUSA-N 1 3 313.445 2.079 20 0 DEADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000649342930 424997894 /nfs/dbraw/zinc/99/78/94/424997894.db2.gz XQCJSJMFNNVGFN-MJGOQNOKSA-N 1 3 315.461 2.109 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)N[C@H](C)CN1CCCCC1 ZINC000650647433 425030870 /nfs/dbraw/zinc/03/08/70/425030870.db2.gz VJWHIDQZUCYLEA-MRXNPFEDSA-N 1 3 312.502 2.138 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)N[C@H](C)CN1CCCCC1 ZINC000650647433 425030871 /nfs/dbraw/zinc/03/08/71/425030871.db2.gz VJWHIDQZUCYLEA-MRXNPFEDSA-N 1 3 312.502 2.138 20 0 DEADHO NCc1cn([C@@H]2CCC[N@H+](Cc3cccc4c3CCC4)C2)nn1 ZINC000650704337 425037982 /nfs/dbraw/zinc/03/79/82/425037982.db2.gz UMPJVRASUMGONH-QGZVFWFLSA-N 1 3 311.433 2.063 20 0 DEADHO NCc1cn([C@@H]2CCC[N@@H+](Cc3cccc4c3CCC4)C2)nn1 ZINC000650704337 425037987 /nfs/dbraw/zinc/03/79/87/425037987.db2.gz UMPJVRASUMGONH-QGZVFWFLSA-N 1 3 311.433 2.063 20 0 DEADHO Cc1ccccc1C1([NH2+]C[C@H]2CCCN(C(=O)CN)C2)CCC1 ZINC000650704397 425038392 /nfs/dbraw/zinc/03/83/92/425038392.db2.gz WXONGTGPRAJVDN-MRXNPFEDSA-N 1 3 315.461 2.161 20 0 DEADHO COCCOc1ccc(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000650709141 425040017 /nfs/dbraw/zinc/04/00/17/425040017.db2.gz FSNNAXFXEFEXPL-WMZOPIPTSA-N 1 3 304.434 2.273 20 0 DEADHO COCCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)cc1 ZINC000650709141 425040020 /nfs/dbraw/zinc/04/00/20/425040020.db2.gz FSNNAXFXEFEXPL-WMZOPIPTSA-N 1 3 304.434 2.273 20 0 DEADHO COCCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)cc1 ZINC000650709141 425040021 /nfs/dbraw/zinc/04/00/21/425040021.db2.gz FSNNAXFXEFEXPL-WMZOPIPTSA-N 1 3 304.434 2.273 20 0 DEADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3cnc4ccccn34)C2)C1 ZINC000650706671 425040197 /nfs/dbraw/zinc/04/01/97/425040197.db2.gz QAAYVOKCZOEDLG-BFYDXBDKSA-N 1 3 314.433 2.053 20 0 DEADHO CC(C)(C)n1cc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cn1 ZINC000650721891 425042050 /nfs/dbraw/zinc/04/20/50/425042050.db2.gz FHMQDPBGPGZYLL-GVDBMIGSSA-N 1 3 320.481 2.499 20 0 DEADHO CC[N@H+](CCC1CCN(C[C@@H]2CCC(=O)N2)CC1)CC(C)C ZINC000649573962 425044904 /nfs/dbraw/zinc/04/49/04/425044904.db2.gz WMIXPZUWWBAEII-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO CC[N@@H+](CCC1CCN(C[C@@H]2CCC(=O)N2)CC1)CC(C)C ZINC000649573962 425044906 /nfs/dbraw/zinc/04/49/06/425044906.db2.gz WMIXPZUWWBAEII-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](NCCc2cncc(C)n2)[C@@H](C)C1 ZINC000649587453 425045688 /nfs/dbraw/zinc/04/56/88/425045688.db2.gz JSYLFZGCIWLPIV-YJBOKZPZSA-N 1 3 320.481 2.054 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](NCCc2cncc(C)n2)[C@@H](C)C1 ZINC000649587453 425045689 /nfs/dbraw/zinc/04/56/89/425045689.db2.gz JSYLFZGCIWLPIV-YJBOKZPZSA-N 1 3 320.481 2.054 20 0 DEADHO C[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)C(C)(C)n1cncn1 ZINC000663466621 425165512 /nfs/dbraw/zinc/16/55/12/425165512.db2.gz WCAVXYZOWMDPAF-GOEBONIOSA-N 1 3 305.470 2.113 20 0 DEADHO C[C@@H]1CN(Cc2nc3c(s2)CNCC3)c2ccccc2C[NH2+]1 ZINC000663497434 425172147 /nfs/dbraw/zinc/17/21/47/425172147.db2.gz OJZDMPNBJJJNIR-GFCCVEGCSA-N 1 3 314.458 2.287 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000666758476 425177776 /nfs/dbraw/zinc/17/77/76/425177776.db2.gz SFPHMFPGZHDXPW-YESZJQIVSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000666758476 425177778 /nfs/dbraw/zinc/17/77/78/425177778.db2.gz SFPHMFPGZHDXPW-YESZJQIVSA-N 1 3 324.513 2.088 20 0 DEADHO COc1ccc(NC(=O)C[C@@H](C)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000666857963 425198876 /nfs/dbraw/zinc/19/88/76/425198876.db2.gz RDOFWAASTIGAGV-ZIAGYGMSSA-N 1 3 305.422 2.144 20 0 DEADHO C[NH+]1CCC2(CC1)CN(Cc1cccc3c1CCC3)CCO2 ZINC000651845187 425149484 /nfs/dbraw/zinc/14/94/84/425149484.db2.gz FPHMBWLCMRVAGX-UHFFFAOYSA-N 1 3 300.446 2.472 20 0 DEADHO CC[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)[C@H]1CCCCO1 ZINC000653875570 425242496 /nfs/dbraw/zinc/24/24/96/425242496.db2.gz WNYVMOCYEMDUHW-ZWKOTPCHSA-N 1 3 311.514 2.340 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000660825853 425247810 /nfs/dbraw/zinc/24/78/10/425247810.db2.gz XYFXCYKJPFLJPY-GJZGRUSLSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000660825853 425247812 /nfs/dbraw/zinc/24/78/12/425247812.db2.gz XYFXCYKJPFLJPY-GJZGRUSLSA-N 1 3 310.486 2.033 20 0 DEADHO CCC[NH+]1CCC(CNC(=O)N(CC)[C@@H]2CCN(CC)C2)CC1 ZINC000663892360 425260400 /nfs/dbraw/zinc/26/04/00/425260400.db2.gz DOQIFALEZIRFPV-QGZVFWFLSA-N 1 3 324.513 2.234 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)NCc1ccc2c(c1)CNC2 ZINC000652216560 425215547 /nfs/dbraw/zinc/21/55/47/425215547.db2.gz ZFTCJBOUFHJJOF-UHFFFAOYSA-N 1 3 318.465 2.067 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)NCc1ccc2c(c1)CNC2 ZINC000652216560 425215550 /nfs/dbraw/zinc/21/55/50/425215550.db2.gz ZFTCJBOUFHJJOF-UHFFFAOYSA-N 1 3 318.465 2.067 20 0 DEADHO C[C@@H](CN(C)CCC[NH+](C)C)Nc1ccnc2ccccc21 ZINC000664197238 425330302 /nfs/dbraw/zinc/33/03/02/425330302.db2.gz SINBVRARTYIWMG-HNNXBMFYSA-N 1 3 300.450 2.341 20 0 DEADHO CC(C)[NH+](CCNC(=O)N[C@@H]1CCCN2CCCC[C@H]12)C(C)C ZINC000654347790 425331190 /nfs/dbraw/zinc/33/11/90/425331190.db2.gz LLSGLYNQUBMHKK-IAGOWNOFSA-N 1 3 324.513 2.421 20 0 DEADHO CC(C)C[C@H](CNCc1ccnn1-c1ccncc1)[NH+](C)C ZINC000657305488 425298269 /nfs/dbraw/zinc/29/82/69/425298269.db2.gz YTBKALGOGJCPBE-QGZVFWFLSA-N 1 3 301.438 2.333 20 0 DEADHO CC(C)C[C@H](C[NH2+]Cc1ccnn1-c1ccncc1)N(C)C ZINC000657305488 425298271 /nfs/dbraw/zinc/29/82/71/425298271.db2.gz YTBKALGOGJCPBE-QGZVFWFLSA-N 1 3 301.438 2.333 20 0 DEADHO C[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1)C1=CCN(C)CC1 ZINC000661010074 425298529 /nfs/dbraw/zinc/29/85/29/425298529.db2.gz PJYSFECOGYARKG-JKSUJKDBSA-N 1 3 322.497 2.056 20 0 DEADHO Cn1ncc(C(F)(F)F)c1CNCC[C@H]1CCC[N@H+](C)C1 ZINC000657492062 425348767 /nfs/dbraw/zinc/34/87/67/425348767.db2.gz QCAZYEYQKKFYCT-LLVKDONJSA-N 1 3 304.360 2.260 20 0 DEADHO Cn1ncc(C(F)(F)F)c1CNCC[C@H]1CCC[N@@H+](C)C1 ZINC000657492062 425348772 /nfs/dbraw/zinc/34/87/72/425348772.db2.gz QCAZYEYQKKFYCT-LLVKDONJSA-N 1 3 304.360 2.260 20 0 DEADHO C[NH+]1CCC(CCNC(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000654427247 425350960 /nfs/dbraw/zinc/35/09/60/425350960.db2.gz GQLSXZFDEJJSJJ-IAGOWNOFSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(F)cc1 ZINC000664314952 425359153 /nfs/dbraw/zinc/35/91/53/425359153.db2.gz PATKYBZOQMBFMU-ZDUSSCGKSA-N 1 3 310.417 2.219 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(F)cc1 ZINC000664314952 425359157 /nfs/dbraw/zinc/35/91/57/425359157.db2.gz PATKYBZOQMBFMU-ZDUSSCGKSA-N 1 3 310.417 2.219 20 0 DEADHO COc1cccc(CNCC2CC[NH+](C3CCOCC3)CC2)n1 ZINC000657537463 425358373 /nfs/dbraw/zinc/35/83/73/425358373.db2.gz LUVRBVWYPRTISB-UHFFFAOYSA-N 1 3 319.449 2.071 20 0 DEADHO CO[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCOC1 ZINC000657540959 425360592 /nfs/dbraw/zinc/36/05/92/425360592.db2.gz JSXUVHYNBAYROP-QAPCUYQASA-N 1 3 310.482 2.425 20 0 DEADHO CO[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1CCOC1 ZINC000657540959 425360597 /nfs/dbraw/zinc/36/05/97/425360597.db2.gz JSXUVHYNBAYROP-QAPCUYQASA-N 1 3 310.482 2.425 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+]CC2)C1 ZINC000653112972 425408182 /nfs/dbraw/zinc/40/81/82/425408182.db2.gz OLWTUFIXCGBPBU-KBAYOESNSA-N 1 3 315.461 2.328 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CCC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000653119637 425410330 /nfs/dbraw/zinc/41/03/30/425410330.db2.gz QKRVWJLVIXZLSB-WBVHZDCISA-N 1 3 303.450 2.013 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCCC1(C)C ZINC000664345478 425365761 /nfs/dbraw/zinc/36/57/61/425365761.db2.gz VMUNDTVAGJYVIL-LSDHHAIUSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCCC1(C)C ZINC000664345478 425365764 /nfs/dbraw/zinc/36/57/64/425365764.db2.gz VMUNDTVAGJYVIL-LSDHHAIUSA-N 1 3 312.502 2.136 20 0 DEADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cc2cccnc2o1 ZINC000657573803 425368586 /nfs/dbraw/zinc/36/85/86/425368586.db2.gz VBGDHYDEPLDYPI-AWEZNQCLSA-N 1 3 304.438 2.189 20 0 DEADHO CCn1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cn1 ZINC000657611681 425374585 /nfs/dbraw/zinc/37/45/85/425374585.db2.gz CJHROEURXKUQAL-UHFFFAOYSA-N 1 3 313.449 2.300 20 0 DEADHO Cc1ncncc1[C@@H](C)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000658070852 425433826 /nfs/dbraw/zinc/43/38/26/425433826.db2.gz SFEDMVPSLWFVGS-CQSZACIVSA-N 1 3 318.465 2.327 20 0 DEADHO C[C@@H](C(=O)NCc1ccc(C[NH3+])cc1F)N1CCCCCC1 ZINC000653223386 425436875 /nfs/dbraw/zinc/43/68/75/425436875.db2.gz LUEKSODRORRCOC-ZDUSSCGKSA-N 1 3 307.413 2.165 20 0 DEADHO C[C@@H]([NH2+][C@@H](CO)C1CCC1)c1cccc(OCCN(C)C)c1 ZINC000658089371 425437439 /nfs/dbraw/zinc/43/74/39/425437439.db2.gz ZUJSIMHBLULXGZ-KDOFPFPSSA-N 1 3 306.450 2.439 20 0 DEADHO C[C@@H](C(=O)NCc1ccc(C[NH3+])cc1F)[C@H](N)c1ccccc1 ZINC000653225918 425438858 /nfs/dbraw/zinc/43/88/58/425438858.db2.gz KCSZERYGUMEKFH-PXAZEXFGSA-N 1 3 315.392 2.237 20 0 DEADHO Cc1n[nH]cc1[C@@H](C)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658135908 425442125 /nfs/dbraw/zinc/44/21/25/425442125.db2.gz FVBFBAGJFCRTMY-DYVFJYSZSA-N 1 3 314.433 2.136 20 0 DEADHO Cc1n[nH]cc1[C@@H](C)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658135908 425442129 /nfs/dbraw/zinc/44/21/29/425442129.db2.gz FVBFBAGJFCRTMY-DYVFJYSZSA-N 1 3 314.433 2.136 20 0 DEADHO COC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1CC1 ZINC000658167306 425451163 /nfs/dbraw/zinc/45/11/63/425451163.db2.gz RLZVNEAQYLGUEG-GOSISDBHSA-N 1 3 303.450 2.308 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CCN1C ZINC000658168545 425451186 /nfs/dbraw/zinc/45/11/86/425451186.db2.gz XNTPBBQWFPKYRH-LPHOPBHVSA-N 1 3 316.493 2.366 20 0 DEADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000654887422 425462305 /nfs/dbraw/zinc/46/23/05/425462305.db2.gz HDDUHSXJKKXUOU-KBXCAEBGSA-N 1 3 315.461 2.003 20 0 DEADHO C[C@@H](CC(N)=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658319821 425473205 /nfs/dbraw/zinc/47/32/05/425473205.db2.gz JETQUBHTGPNWQI-RDJZCZTQSA-N 1 3 315.461 2.142 20 0 DEADHO C[C@@H](CC(N)=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658319821 425473208 /nfs/dbraw/zinc/47/32/08/425473208.db2.gz JETQUBHTGPNWQI-RDJZCZTQSA-N 1 3 315.461 2.142 20 0 DEADHO CN(C[C@@H]1CCCN1C)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655152448 425509223 /nfs/dbraw/zinc/50/92/23/425509223.db2.gz PRRMTMHOCBFVNS-MSOLQXFVSA-N 1 3 315.461 2.061 20 0 DEADHO CN(C[C@@H]1CCCN1C)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655152448 425509226 /nfs/dbraw/zinc/50/92/26/425509226.db2.gz PRRMTMHOCBFVNS-MSOLQXFVSA-N 1 3 315.461 2.061 20 0 DEADHO CC(C)(C)O[C@@H]1C[C@H](NC[C@@H](O)C[NH+]2CCCC2)C12CCC2 ZINC000661850312 425513986 /nfs/dbraw/zinc/51/39/86/425513986.db2.gz ZYMVMKWDOQVXEQ-OWCLPIDISA-N 1 3 310.482 2.159 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000655271834 425527237 /nfs/dbraw/zinc/52/72/37/425527237.db2.gz MCELYBFVLDFWJV-UHFFFAOYSA-N 1 3 318.465 2.241 20 0 DEADHO O=C(N[C@H]1CCCN2CCCC[C@@H]12)C1C[NH+](C2CCCCC2)C1 ZINC000655349918 425541060 /nfs/dbraw/zinc/54/10/60/425541060.db2.gz MKVGBLDRUZTDHO-ROUUACIJSA-N 1 3 319.493 2.384 20 0 DEADHO CC[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C)C1CC1 ZINC000661761905 425496265 /nfs/dbraw/zinc/49/62/65/425496265.db2.gz KROFDPUIDDWGOH-IRXDYDNUSA-N 1 3 303.450 2.184 20 0 DEADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000665364781 425554943 /nfs/dbraw/zinc/55/49/43/425554943.db2.gz WZDOPCBIMSMUPJ-HZPDHXFCSA-N 1 3 324.513 2.375 20 0 DEADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000665364781 425554946 /nfs/dbraw/zinc/55/49/46/425554946.db2.gz WZDOPCBIMSMUPJ-HZPDHXFCSA-N 1 3 324.513 2.375 20 0 DEADHO COc1ccc([C@H](C)C[NH+]2CCC(N3CC[C@@H](O)C3)CC2)cc1 ZINC000662146685 425574641 /nfs/dbraw/zinc/57/46/41/425574641.db2.gz AJRFGTUOPXGOSC-CRAIPNDOSA-N 1 3 318.461 2.330 20 0 DEADHO COc1cccc(CCC[NH+]2CCC(N3CC[C@H](O)C3)CC2)c1 ZINC000662157841 425579256 /nfs/dbraw/zinc/57/92/56/425579256.db2.gz QTVDPZQXIYMWPD-SFHVURJKSA-N 1 3 318.461 2.159 20 0 DEADHO Cc1ccccc1CCC[NH+]1CCC(N2CC[C@H](O)C2)CC1 ZINC000662158381 425579470 /nfs/dbraw/zinc/57/94/70/425579470.db2.gz SNZDZVYTXWHDFD-IBGZPJMESA-N 1 3 302.462 2.459 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000655493103 425581601 /nfs/dbraw/zinc/58/16/01/425581601.db2.gz BMZKGGWBKBCFOY-MRXNPFEDSA-N 1 3 321.440 2.201 20 0 DEADHO CO[C@@H](CN1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000662274082 425611042 /nfs/dbraw/zinc/61/10/42/425611042.db2.gz QVNFUWDNHAZMMC-SJORKVTESA-N 1 3 304.434 2.061 20 0 DEADHO C[C@@H]1CCCN(C(=O)c2ccc3c(c2)CNC3)[C@@H]1CCC[NH3+] ZINC000659375990 425588334 /nfs/dbraw/zinc/58/83/34/425588334.db2.gz JDCDLUJBMLMJRF-CXAGYDPISA-N 1 3 301.434 2.269 20 0 DEADHO CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@H](C)C(C)C ZINC000665640370 425611303 /nfs/dbraw/zinc/61/13/03/425611303.db2.gz SFMJJNZATNVNQG-JKSUJKDBSA-N 1 3 314.518 2.334 20 0 DEADHO CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@H](C)C(C)C ZINC000665640370 425611305 /nfs/dbraw/zinc/61/13/05/425611305.db2.gz SFMJJNZATNVNQG-JKSUJKDBSA-N 1 3 314.518 2.334 20 0 DEADHO CN(CCOc1ccccc1Cl)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249314 425601021 /nfs/dbraw/zinc/60/10/21/425601021.db2.gz SVPXQEWEBNJNOY-ZDUSSCGKSA-N 1 3 310.825 2.172 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N[C@H](C)C[NH2+]C)c1ccsc1 ZINC000659435195 425602501 /nfs/dbraw/zinc/60/25/01/425602501.db2.gz VQSNCXRMKDKWRK-OCCSQVGLSA-N 1 3 312.483 2.038 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)NCC[C@@H]([NH3+])C(C)C)N(C)C)cc1 ZINC000659446370 425605548 /nfs/dbraw/zinc/60/55/48/425605548.db2.gz NAZSUZGXCZJPSB-IAGOWNOFSA-N 1 3 320.481 2.270 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662261444 425606417 /nfs/dbraw/zinc/60/64/17/425606417.db2.gz YPICDFCSZNTVOX-KURKYZTESA-N 1 3 321.509 2.094 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662261444 425606421 /nfs/dbraw/zinc/60/64/21/425606421.db2.gz YPICDFCSZNTVOX-KURKYZTESA-N 1 3 321.509 2.094 20 0 DEADHO C[NH2+]C[C@@H](C)NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000659456169 425607950 /nfs/dbraw/zinc/60/79/50/425607950.db2.gz IPJUPWYKVQOBQG-WBVHZDCISA-N 1 3 318.465 2.121 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@H]2[NH2+]CCC2(C)C)cc1 ZINC000662410474 425644650 /nfs/dbraw/zinc/64/46/50/425644650.db2.gz KMGPODSAPMSKCF-HZPDHXFCSA-N 1 3 303.450 2.314 20 0 DEADHO C[NH+](C)Cc1cccc(NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000655745382 425644719 /nfs/dbraw/zinc/64/47/19/425644719.db2.gz OSLCUIGGTCARFR-GOSISDBHSA-N 1 3 303.450 2.413 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@@H]2[NH2+]CCC2(C)C)cc1 ZINC000662410472 425644992 /nfs/dbraw/zinc/64/49/92/425644992.db2.gz KMGPODSAPMSKCF-CVEARBPZSA-N 1 3 303.450 2.314 20 0 DEADHO CC[NH+](CC)[C@H]1CCN(C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662483667 425662934 /nfs/dbraw/zinc/66/29/34/425662934.db2.gz ACEOPLSOIPTTEE-RDJZCZTQSA-N 1 3 301.434 2.164 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC(CN3CCOCC3)CC2)C1 ZINC000659843932 425666490 /nfs/dbraw/zinc/66/64/90/425666490.db2.gz DXGRYZSPJXQFEO-HDICACEKSA-N 1 3 323.525 2.009 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC(CN3CCOCC3)CC2)C1 ZINC000659843932 425666492 /nfs/dbraw/zinc/66/64/92/425666492.db2.gz DXGRYZSPJXQFEO-HDICACEKSA-N 1 3 323.525 2.009 20 0 DEADHO CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000659474580 425612298 /nfs/dbraw/zinc/61/22/98/425612298.db2.gz VCEMOPGSGDGDCT-IXDOHACOSA-N 1 3 318.465 2.104 20 0 DEADHO [NH3+][C@@H]1CCO[C@H](C2CCN(CCOCc3ccccc3)CC2)C1 ZINC000662281510 425612933 /nfs/dbraw/zinc/61/29/33/425612933.db2.gz MURXTJSFMCUEFC-MOPGFXCFSA-N 1 3 318.461 2.422 20 0 DEADHO CCCCCNC(=O)[C@@H](C)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290781 425614469 /nfs/dbraw/zinc/61/44/69/425614469.db2.gz KKQYYOZBFBYRDA-NVXWUHKLSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)CCNC(=O)[C@H](C)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290824 425614706 /nfs/dbraw/zinc/61/47/06/425614706.db2.gz LESPQTVSMAEQKE-RDJZCZTQSA-N 1 3 309.498 2.249 20 0 DEADHO C[C@@H]1CCCN(CC(=O)NCc2ccccc2F)[C@@H]1CCC[NH3+] ZINC000662313229 425622056 /nfs/dbraw/zinc/62/20/56/425622056.db2.gz HGBUQQYAQVNJFO-RHSMWYFYSA-N 1 3 321.440 2.281 20 0 DEADHO CCC[NH+]1CCC(NC(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662356193 425630984 /nfs/dbraw/zinc/63/09/84/425630984.db2.gz KMSIIKJJGSILKA-QGZVFWFLSA-N 1 3 301.434 2.212 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1CC[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000655711089 425635656 /nfs/dbraw/zinc/63/56/56/425635656.db2.gz GOBVSSUTBCADTB-ZIFCJYIRSA-N 1 3 323.525 2.482 20 0 DEADHO C[C@@H](CNC(=O)c1cc2c(s1)CCNC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000662386729 425639313 /nfs/dbraw/zinc/63/93/13/425639313.db2.gz FWRKSXJKSIZOHG-OLZOCXBDSA-N 1 3 321.490 2.244 20 0 DEADHO C[C@@H](CNC(=O)c1cc2c(s1)CCNC2)[N@H+]1CCC[C@@H](C)C1 ZINC000662386729 425639315 /nfs/dbraw/zinc/63/93/15/425639315.db2.gz FWRKSXJKSIZOHG-OLZOCXBDSA-N 1 3 321.490 2.244 20 0 DEADHO CCC(C)(CC)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665760426 425639943 /nfs/dbraw/zinc/63/99/43/425639943.db2.gz IUFBSTMMULDPPN-AWEZNQCLSA-N 1 3 300.491 2.136 20 0 DEADHO CCC(C)(CC)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665760426 425639947 /nfs/dbraw/zinc/63/99/47/425639947.db2.gz IUFBSTMMULDPPN-AWEZNQCLSA-N 1 3 300.491 2.136 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCCC[C@H](C)C1 ZINC000665761393 425640345 /nfs/dbraw/zinc/64/03/45/425640345.db2.gz BNPWFVKYIJFGON-HOTGVXAUSA-N 1 3 312.502 2.090 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCCC[C@H](C)C1 ZINC000665761393 425640349 /nfs/dbraw/zinc/64/03/49/425640349.db2.gz BNPWFVKYIJFGON-HOTGVXAUSA-N 1 3 312.502 2.090 20 0 DEADHO C[C@@H](CNC(=O)c1cc2c(s1)CCNC2)C[NH+]1CCCCC1 ZINC000662395196 425640381 /nfs/dbraw/zinc/64/03/81/425640381.db2.gz RCSJHSXKGXLVQN-ZDUSSCGKSA-N 1 3 321.490 2.246 20 0 DEADHO C[C@H](CNC(=O)c1cccc2c1CNC2)C[NH+]1CCCCC1 ZINC000662394142 425640526 /nfs/dbraw/zinc/64/05/26/425640526.db2.gz BAWPBXQNASRSNV-CQSZACIVSA-N 1 3 301.434 2.142 20 0 DEADHO C[C@@H](CNC(=O)C[C@@H]1NCc2ccccc21)C[NH+]1CCCCC1 ZINC000662394149 425640579 /nfs/dbraw/zinc/64/05/79/425640579.db2.gz BEHQTSDAUKDSBT-YJBOKZPZSA-N 1 3 315.461 2.459 20 0 DEADHO CC[C@@H]1[C@H](C)CCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665761430 425640960 /nfs/dbraw/zinc/64/09/60/425640960.db2.gz CRLYEJQBIZBHEU-OWCLPIDISA-N 1 3 312.502 2.088 20 0 DEADHO CC[C@@H]1[C@H](C)CCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665761430 425640963 /nfs/dbraw/zinc/64/09/63/425640963.db2.gz CRLYEJQBIZBHEU-OWCLPIDISA-N 1 3 312.502 2.088 20 0 DEADHO CCCc1cc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c2ccccc2n1 ZINC000656218996 425735992 /nfs/dbraw/zinc/73/59/92/425735992.db2.gz IPAYHPKWRBVLFV-JKSUJKDBSA-N 1 3 311.429 2.443 20 0 DEADHO CCCc1cc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c2ccccc2n1 ZINC000656218996 425735993 /nfs/dbraw/zinc/73/59/93/425735993.db2.gz IPAYHPKWRBVLFV-JKSUJKDBSA-N 1 3 311.429 2.443 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662792354 425737054 /nfs/dbraw/zinc/73/70/54/425737054.db2.gz FMGIHILTQQPTEW-PVAVHDDUSA-N 1 3 315.461 2.011 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C[C@H](N)Cc2ccccc2)C1 ZINC000662589448 425687209 /nfs/dbraw/zinc/68/72/09/425687209.db2.gz CHAFJOLLBNFJPM-IAGOWNOFSA-N 1 3 317.477 2.183 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C[C@H](N)Cc2ccccc2)C1 ZINC000662589448 425687214 /nfs/dbraw/zinc/68/72/14/425687214.db2.gz CHAFJOLLBNFJPM-IAGOWNOFSA-N 1 3 317.477 2.183 20 0 DEADHO CCC[C@](C)(N)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000662659838 425706815 /nfs/dbraw/zinc/70/68/15/425706815.db2.gz VMAITSUPZVDOHP-HKUYNNGSSA-N 1 3 317.477 2.279 20 0 DEADHO CCC[C@](C)(N)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000662659838 425706818 /nfs/dbraw/zinc/70/68/18/425706818.db2.gz VMAITSUPZVDOHP-HKUYNNGSSA-N 1 3 317.477 2.279 20 0 DEADHO C[C@H](CNC(=O)c1cc2c(s1)CCNC2)[N@@H+]1CCCC[C@H]1C ZINC000662679471 425711012 /nfs/dbraw/zinc/71/10/12/425711012.db2.gz OQUZEJPPAQRDRY-CHWSQXEVSA-N 1 3 321.490 2.387 20 0 DEADHO C[C@H](CNC(=O)c1cc2c(s1)CCNC2)[N@H+]1CCCC[C@H]1C ZINC000662679471 425711016 /nfs/dbraw/zinc/71/10/16/425711016.db2.gz OQUZEJPPAQRDRY-CHWSQXEVSA-N 1 3 321.490 2.387 20 0 DEADHO CC(C)C[C@H](C[NH3+])CC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000662684032 425712079 /nfs/dbraw/zinc/71/20/79/425712079.db2.gz ACNSJDWZKRUNJT-YOEHRIQHSA-N 1 3 319.449 2.297 20 0 DEADHO C[NH+](C)[C@H]1C[C@@H](CN[C@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC000656126931 425713160 /nfs/dbraw/zinc/71/31/60/425713160.db2.gz AWMUPSQYOUMHQB-VUCTXSBTSA-N 1 3 319.424 2.075 20 0 DEADHO CC[C@@H](N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662712010 425718524 /nfs/dbraw/zinc/71/85/24/425718524.db2.gz QIJWFXZOSIDFOW-DLBZAZTESA-N 1 3 315.461 2.142 20 0 DEADHO CC[C@@H](N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000662712010 425718529 /nfs/dbraw/zinc/71/85/29/425718529.db2.gz QIJWFXZOSIDFOW-DLBZAZTESA-N 1 3 315.461 2.142 20 0 DEADHO CC(C)NCC(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000662705737 425718864 /nfs/dbraw/zinc/71/88/64/425718864.db2.gz SNMMFQSLRSEBAA-UHFFFAOYSA-N 1 3 304.438 2.129 20 0 DEADHO C[C@H](CNC(=O)C1([NH2+]C2CC2)CCC1)N(C)Cc1ccccc1 ZINC000662730791 425723533 /nfs/dbraw/zinc/72/35/33/425723533.db2.gz PNERUSVBRIUROD-OAHLLOKOSA-N 1 3 315.461 2.298 20 0 DEADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200638 425730541 /nfs/dbraw/zinc/73/05/41/425730541.db2.gz SSPMNXUSAFKZTG-RCFCFVIZSA-N 1 3 323.525 2.385 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)NC[C@H]2CCN2C(C)(C)C)CC1 ZINC000660248666 425775446 /nfs/dbraw/zinc/77/54/46/425775446.db2.gz SAUNFCORCSYUQQ-OAHLLOKOSA-N 1 3 310.486 2.031 20 0 DEADHO N[C@@H](CC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000663004882 425775607 /nfs/dbraw/zinc/77/56/07/425775607.db2.gz SHXMIZPYDZDNHT-WMZOPIPTSA-N 1 3 315.461 2.315 20 0 DEADHO N[C@@H](CC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000663004882 425775610 /nfs/dbraw/zinc/77/56/10/425775610.db2.gz SHXMIZPYDZDNHT-WMZOPIPTSA-N 1 3 315.461 2.315 20 0 DEADHO N[C@H](CC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000663004881 425775982 /nfs/dbraw/zinc/77/59/82/425775982.db2.gz SHXMIZPYDZDNHT-SJLPKXTDSA-N 1 3 315.461 2.315 20 0 DEADHO N[C@H](CC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000663004881 425775987 /nfs/dbraw/zinc/77/59/87/425775987.db2.gz SHXMIZPYDZDNHT-SJLPKXTDSA-N 1 3 315.461 2.315 20 0 DEADHO c1cc(N2CCC([NH2+][C@H]3CCN(CC4CC4)C3)CC2)ccn1 ZINC000656498767 425783112 /nfs/dbraw/zinc/78/31/12/425783112.db2.gz JOCAZHLPKBYDLY-KRWDZBQOSA-N 1 3 300.450 2.124 20 0 DEADHO CC[C@@H]1c2ccccc2CC[N@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000666640928 425793903 /nfs/dbraw/zinc/79/39/03/425793903.db2.gz AALNWGWIXMGATN-MAUKXSAKSA-N 1 3 315.461 2.193 20 0 DEADHO CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000666640928 425793904 /nfs/dbraw/zinc/79/39/04/425793904.db2.gz AALNWGWIXMGATN-MAUKXSAKSA-N 1 3 315.461 2.193 20 0 DEADHO CCO[C@@H]1C[C@H](NC[C@H](O)C[N@H+](C)C(C)C)C12CCCCC2 ZINC000660412036 425809718 /nfs/dbraw/zinc/80/97/18/425809718.db2.gz CSZWRDQUAKNIPU-YESZJQIVSA-N 1 3 312.498 2.405 20 0 DEADHO CCO[C@@H]1C[C@H](NC[C@H](O)C[N@@H+](C)C(C)C)C12CCCCC2 ZINC000660412036 425809719 /nfs/dbraw/zinc/80/97/19/425809719.db2.gz CSZWRDQUAKNIPU-YESZJQIVSA-N 1 3 312.498 2.405 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)N(CC)CC ZINC000662842217 425747953 /nfs/dbraw/zinc/74/79/53/425747953.db2.gz NSEQBLWLVUIFHB-IAGOWNOFSA-N 1 3 309.498 2.345 20 0 DEADHO CN(Cc1cc(C2CC2)no1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000660140289 425751300 /nfs/dbraw/zinc/75/13/00/425751300.db2.gz IGVYYUKESQNKKV-MRXNPFEDSA-N 1 3 318.465 2.152 20 0 DEADHO CC1(C)CCCN[C@@H]1C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662878137 425755173 /nfs/dbraw/zinc/75/51/73/425755173.db2.gz OJHGQVNLLGBFFQ-GOEBONIOSA-N 1 3 307.482 2.288 20 0 DEADHO CC1(C)CCCN[C@@H]1C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662878137 425755176 /nfs/dbraw/zinc/75/51/76/425755176.db2.gz OJHGQVNLLGBFFQ-GOEBONIOSA-N 1 3 307.482 2.288 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC[C@@H](N2CCOCC2)CC1 ZINC000660476453 425819540 /nfs/dbraw/zinc/81/95/40/425819540.db2.gz YNEPUDOZCSCTOE-RTBURBONSA-N 1 3 323.525 2.436 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1CN1CCC[C@@H](N2CCOCC2)CC1 ZINC000660476453 425819542 /nfs/dbraw/zinc/81/95/42/425819542.db2.gz YNEPUDOZCSCTOE-RTBURBONSA-N 1 3 323.525 2.436 20 0 DEADHO CCCC[C@H](C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000370293316 269081078 /nfs/dbraw/zinc/08/10/78/269081078.db2.gz DWHMZDAJDLJEAV-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000390780642 269098226 /nfs/dbraw/zinc/09/82/26/269098226.db2.gz QSLWOBYTYGTGBC-NXHRZFHOSA-N 1 3 315.461 2.155 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000398101703 269108535 /nfs/dbraw/zinc/10/85/35/269108535.db2.gz ZLEIDLZBTBBCMV-RYQLBKOJSA-N 1 3 317.477 2.244 20 0 DEADHO C[C@H](C[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)CN(C)C ZINC000496004749 269191961 /nfs/dbraw/zinc/19/19/61/269191961.db2.gz LNLSBWTZEWXUJJ-MGPQQGTHSA-N 1 3 301.475 2.466 20 0 DEADHO CNC[C@H](C)C[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496405284 269217236 /nfs/dbraw/zinc/21/72/36/269217236.db2.gz YJQSSBGDKLATMV-HOTGVXAUSA-N 1 3 319.449 2.485 20 0 DEADHO CCCN1CC[C@@H](C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000496944279 269269391 /nfs/dbraw/zinc/26/93/91/269269391.db2.gz YVKZKNFCHOIJFP-NFOMZHRRSA-N 1 3 311.470 2.364 20 0 DEADHO CCC[N@@H+]1CC[C@@H](CNC2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000496944279 269269393 /nfs/dbraw/zinc/26/93/93/269269393.db2.gz YVKZKNFCHOIJFP-NFOMZHRRSA-N 1 3 311.470 2.364 20 0 DEADHO CCC[N@H+]1CC[C@@H](CNC2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000496944279 269269395 /nfs/dbraw/zinc/26/93/95/269269395.db2.gz YVKZKNFCHOIJFP-NFOMZHRRSA-N 1 3 311.470 2.364 20 0 DEADHO C[N@@H+]1CC[C@H](N[C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@@H]2CCC[C@@H]21 ZINC000497188999 269292370 /nfs/dbraw/zinc/29/23/70/269292370.db2.gz CJUBLEFHLZTRBO-VGWMRTNUSA-N 1 3 323.481 2.458 20 0 DEADHO C[N@H+]1CC[C@H](N[C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@@H]2CCC[C@@H]21 ZINC000497188999 269292371 /nfs/dbraw/zinc/29/23/71/269292371.db2.gz CJUBLEFHLZTRBO-VGWMRTNUSA-N 1 3 323.481 2.458 20 0 DEADHO C[C@@H](CN(C)C)NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000512436401 269321310 /nfs/dbraw/zinc/32/13/10/269321310.db2.gz JZIBQFSXRNZYSF-YESZJQIVSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](CN(C)C)NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000512436401 269321311 /nfs/dbraw/zinc/32/13/11/269321311.db2.gz JZIBQFSXRNZYSF-YESZJQIVSA-N 1 3 324.513 2.233 20 0 DEADHO COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H](C)CN1CCCC1)CO2 ZINC000295928863 274125154 /nfs/dbraw/zinc/12/51/54/274125154.db2.gz KFQBJJJIPNFNRQ-GOEBONIOSA-N 1 3 304.434 2.320 20 0 DEADHO CCN(C(=O)[C@H](C)N1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000443058698 276064060 /nfs/dbraw/zinc/06/40/60/276064060.db2.gz LBTPPMPUBGHWGS-JKSUJKDBSA-N 1 3 303.450 2.489 20 0 DEADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H](C)CCN3)C2)CC1 ZINC000423361342 276198400 /nfs/dbraw/zinc/19/84/00/276198400.db2.gz RQUGRCAQMDGINF-SQNIBIBYSA-N 1 3 321.509 2.345 20 0 DEADHO CCN1CCN(c2ccccc2CN2C[C@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000347032169 276203642 /nfs/dbraw/zinc/20/36/42/276203642.db2.gz YZNZSYKRMGQHNL-IRXDYDNUSA-N 1 3 316.493 2.011 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CN(C3CC3)C[C@H]2C)[C@H](C)C1 ZINC000352901172 276316129 /nfs/dbraw/zinc/31/61/29/276316129.db2.gz LBPSBCRGUILLNT-ZAWLATJESA-N 1 3 323.525 2.196 20 0 DEADHO CC(C)(C)CCCN1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420411161 277139515 /nfs/dbraw/zinc/13/95/15/277139515.db2.gz XHSHVJLKOOFXMZ-HOTGVXAUSA-N 1 3 322.497 2.033 20 0 DEADHO CO[C@H](C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)C1CC1 ZINC000425395345 277329001 /nfs/dbraw/zinc/32/90/01/277329001.db2.gz NEVWZDRLOCHQIB-RVKKMQEKSA-N 1 3 310.482 2.233 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000079097313 277385093 /nfs/dbraw/zinc/38/50/93/277385093.db2.gz JMISUCLIOFVSQE-INIZCTEOSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)C[C@H](CO)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422973877 277487274 /nfs/dbraw/zinc/48/72/74/277487274.db2.gz PUMNSYYNWQRLHY-HFTRVMKXSA-N 1 3 304.434 2.239 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@]2(C)CCCCN2)C1 ZINC000357795382 278002446 /nfs/dbraw/zinc/00/24/46/278002446.db2.gz DNIVWVJTOIRWAN-JZXOWHBKSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@]2(C)CCCCN2)C1 ZINC000357795382 278002447 /nfs/dbraw/zinc/00/24/47/278002447.db2.gz DNIVWVJTOIRWAN-JZXOWHBKSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@@H](C(=O)NC1CCC(C)CC1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420337016 278205130 /nfs/dbraw/zinc/20/51/30/278205130.db2.gz JGXSAJGJALRGBD-WHRQZHCMSA-N 1 3 321.509 2.391 20 0 DEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000105134793 278341493 /nfs/dbraw/zinc/34/14/93/278341493.db2.gz JIFNUBDYDZKHAA-IRXDYDNUSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000105134793 278341494 /nfs/dbraw/zinc/34/14/94/278341494.db2.gz JIFNUBDYDZKHAA-IRXDYDNUSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@]1(C(=O)NC2CCN(Cc3ccccc3)CC2)CCC[NH2+]C1 ZINC000237541879 278557214 /nfs/dbraw/zinc/55/72/14/278557214.db2.gz LXWHUTWZIORXPG-IBGZPJMESA-N 1 3 315.461 2.157 20 0 DEADHO CCC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000236959995 278866815 /nfs/dbraw/zinc/86/68/15/278866815.db2.gz YXPTXHAAQKPQCM-SJORKVTESA-N 1 3 319.449 2.076 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NCC[NH2+]C2CCCCCC2)CCCN1C ZINC000418003779 279091343 /nfs/dbraw/zinc/09/13/43/279091343.db2.gz NHJLYQZXKLIEIP-ZBFHGGJFSA-N 1 3 310.486 2.081 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@@H](C(C)(C)C)C2)CC1 ZINC000361539890 279259354 /nfs/dbraw/zinc/25/93/54/279259354.db2.gz HIGUZOGTAGFRFR-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000261532947 279282749 /nfs/dbraw/zinc/28/27/49/279282749.db2.gz ARJZTYNFKRWVSW-CRAIPNDOSA-N 1 3 303.450 2.013 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000341283670 288129733 /nfs/dbraw/zinc/12/97/33/288129733.db2.gz CCBVQKPVBISJMZ-CZUORRHYSA-N 1 3 322.497 2.031 20 0 DEADHO N[C@@H]1C[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000424158108 279681345 /nfs/dbraw/zinc/68/13/45/279681345.db2.gz QLTLATRJIZJUMS-DLBZAZTESA-N 1 3 301.434 2.026 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)N1CCCCC1 ZINC000374438551 279759931 /nfs/dbraw/zinc/75/99/31/279759931.db2.gz SFTQWQRBVUPMOW-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@]1(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)CCC[NH2+]1 ZINC000261532534 281302817 /nfs/dbraw/zinc/30/28/17/281302817.db2.gz ALXUKOBGVBAQDB-MAUKXSAKSA-N 1 3 303.450 2.155 20 0 DEADHO O=C(C[C@H]1CC[NH2+]C1)NCc1ccccc1CN1CCCCC1 ZINC000130331479 281937252 /nfs/dbraw/zinc/93/72/52/281937252.db2.gz QSQOFWDBSQOWMU-MRXNPFEDSA-N 1 3 315.461 2.288 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)C[C@@H]2CC[NH2+]C2)N2CCCC2)cc1 ZINC000130570359 281943108 /nfs/dbraw/zinc/94/31/08/281943108.db2.gz LCWUPKQUUYWJIJ-FUHWJXTLSA-N 1 3 315.461 2.248 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NCCCCC[NH+]2CCCC2)CCCN1C ZINC000454797567 289054831 /nfs/dbraw/zinc/05/48/31/289054831.db2.gz XWYGBSXJDRVMIT-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO CN1CC[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@H]2C1 ZINC000355806944 289081702 /nfs/dbraw/zinc/08/17/02/289081702.db2.gz GQSUWPBMWZJPGB-CVEARBPZSA-N 1 3 307.482 2.051 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000423758164 289135473 /nfs/dbraw/zinc/13/54/73/289135473.db2.gz JRISRUNHJVUQGT-QGZVFWFLSA-N 1 3 321.509 2.347 20 0 DEADHO C[C@H](CC(=O)N1CC[C@@H](N2CCCCC2)C1)C1CC[NH2+]CC1 ZINC000430896406 289419292 /nfs/dbraw/zinc/41/92/92/289419292.db2.gz HNRKZVNBLIWOBA-NVXWUHKLSA-N 1 3 307.482 2.099 20 0 DEADHO COc1ccc(CCN[C@H](C)C[C@@H]2CCC[NH2+]2)c(OC)c1OC ZINC000415087004 295121578 /nfs/dbraw/zinc/12/15/78/295121578.db2.gz SOKRTFQWVURSJS-HIFRSBDPSA-N 1 3 322.449 2.375 20 0 DEADHO COc1cccc([C@H](C)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420327991 295324683 /nfs/dbraw/zinc/32/46/83/295324683.db2.gz MAICXYAEIKEMFS-HOCLYGCPSA-N 1 3 304.434 2.444 20 0 DEADHO C[C@]1(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCCC[NH2+]1 ZINC000237564732 300763386 /nfs/dbraw/zinc/76/33/86/300763386.db2.gz MRRAYXMUEDOADP-PKOBYXMFSA-N 1 3 315.461 2.472 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)N[C@@H](C)CCCC[NH3+])N(C)C)cc1 ZINC000417318013 301715370 /nfs/dbraw/zinc/71/53/70/301715370.db2.gz XVIIRJBEXHJHMX-DOTOQJQBSA-N 1 3 320.481 2.414 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C)N(C)C ZINC000487374707 302207852 /nfs/dbraw/zinc/20/78/52/302207852.db2.gz GIYQLYWVFUYTFU-LAQRGFTBSA-N 1 3 317.477 2.300 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)N(C)C ZINC000487374707 302207855 /nfs/dbraw/zinc/20/78/55/302207855.db2.gz GIYQLYWVFUYTFU-LAQRGFTBSA-N 1 3 317.477 2.300 20 0 DEADHO Clc1cccc2c1OCCC[C@H]2NCCCN1CC[NH2+]CC1 ZINC000423182244 302888152 /nfs/dbraw/zinc/88/81/52/302888152.db2.gz QHKUOHHRCVGDQP-MRXNPFEDSA-N 1 3 323.868 2.439 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)C1 ZINC000414678696 303366017 /nfs/dbraw/zinc/36/60/17/303366017.db2.gz QVARJLWXOOKWDN-WMLDXEAASA-N 1 3 319.424 2.160 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2cccc(F)c2)C1 ZINC000414678696 303366018 /nfs/dbraw/zinc/36/60/18/303366018.db2.gz QVARJLWXOOKWDN-WMLDXEAASA-N 1 3 319.424 2.160 20 0 DEADHO CN(CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)CCC(F)(F)F ZINC001424326795 1173762116 /nfs/dbraw/zinc/76/21/16/1173762116.db2.gz OLDRSBWSMRQDEY-CYBMUJFWSA-N 1 3 323.403 2.061 20 0 DEADHO CN(CCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)CCC(F)(F)F ZINC001424326795 1173762119 /nfs/dbraw/zinc/76/21/19/1173762119.db2.gz OLDRSBWSMRQDEY-CYBMUJFWSA-N 1 3 323.403 2.061 20 0 DEADHO CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]CC1CC(C)C1)N(C)C ZINC001368920316 1148768296 /nfs/dbraw/zinc/76/82/96/1148768296.db2.gz WRLWILUIYVECJF-GPANFISMSA-N 1 3 311.514 2.447 20 0 DEADHO CC[C@H](F)C[NH2+]C1(C)CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001424492643 1173809795 /nfs/dbraw/zinc/80/97/95/1173809795.db2.gz SPNNSYOELBZXGZ-KBPBESRZSA-N 1 3 301.450 2.045 20 0 DEADHO C[C@@H]([NH3+])C[C@H](C)NCc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000572879380 325993477 /nfs/dbraw/zinc/99/34/77/325993477.db2.gz CONFAVIICPVERR-MNOVXSKESA-N 1 3 302.378 2.021 20 0 DEADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000573562149 326069487 /nfs/dbraw/zinc/06/94/87/326069487.db2.gz NVCHAOSKBYKRAI-CABCVRRESA-N 1 3 320.481 2.322 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H]1C)c1ccsc1 ZINC000573601466 326073932 /nfs/dbraw/zinc/07/39/32/326073932.db2.gz IUFGXLTVJJTOPH-NWANDNLSSA-N 1 3 309.479 2.245 20 0 DEADHO CC[NH2+]CC1CCN(Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000574519719 326162549 /nfs/dbraw/zinc/16/25/49/326162549.db2.gz YFHDODNIIYZTAE-UHFFFAOYSA-N 1 3 317.412 2.228 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)CC1 ZINC000574635037 326172887 /nfs/dbraw/zinc/17/28/87/326172887.db2.gz XBGACFBXJBRZLN-RTBURBONSA-N 1 3 323.525 2.294 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)CC1 ZINC000574635037 326172890 /nfs/dbraw/zinc/17/28/90/326172890.db2.gz XBGACFBXJBRZLN-RTBURBONSA-N 1 3 323.525 2.294 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)CN[C@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000576389728 326289866 /nfs/dbraw/zinc/28/98/66/326289866.db2.gz AMXRUFBHLFCADW-BPQIPLTHSA-N 1 3 320.477 2.424 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)CN[C@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000576389728 326289868 /nfs/dbraw/zinc/28/98/68/326289868.db2.gz AMXRUFBHLFCADW-BPQIPLTHSA-N 1 3 320.477 2.424 20 0 DEADHO CCO[C@H]1C[C@@H]1NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000576814142 326321116 /nfs/dbraw/zinc/32/11/16/326321116.db2.gz YPCIELQQLSFCHN-HKUYNNGSSA-N 1 3 317.477 2.484 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000584523778 337355145 /nfs/dbraw/zinc/35/51/45/337355145.db2.gz QPBDBCBGHGUGDE-BPUTZDHNSA-N 1 3 302.422 2.010 20 0 DEADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000584523778 337355146 /nfs/dbraw/zinc/35/51/46/337355146.db2.gz QPBDBCBGHGUGDE-BPUTZDHNSA-N 1 3 302.422 2.010 20 0 DEADHO CC[NH+]1CCC(CNC(=O)[C@@H](C(C)C)N2CCCCC2)CC1 ZINC000584670437 337381364 /nfs/dbraw/zinc/38/13/64/337381364.db2.gz AGLMEKBLPSKCCB-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H]([NH2+]CCC1CC1)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001376324963 1159337641 /nfs/dbraw/zinc/33/76/41/1159337641.db2.gz BZJRJXIIXDYVRB-GOEBONIOSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccsc1 ZINC001378306566 1152286305 /nfs/dbraw/zinc/28/63/05/1152286305.db2.gz XCHXDWRGOASWQV-ZFWWWQNUSA-N 1 3 309.479 2.074 20 0 DEADHO CC(C)[C@@H](CCN(C)C(=O)[C@H]1CCCN1C)[NH2+]C/C=C\Cl ZINC001378383469 1152311908 /nfs/dbraw/zinc/31/19/08/1152311908.db2.gz UCMIWOUJEQTBRP-AJNJCKRNSA-N 1 3 315.889 2.296 20 0 DEADHO CC[C@@H](C(=O)NCc1ccc(C[NH2+]CC2CC2)cc1)N(C)C ZINC001378473426 1152342430 /nfs/dbraw/zinc/34/24/30/1152342430.db2.gz ZULVRBYILWIJRB-KRWDZBQOSA-N 1 3 303.450 2.143 20 0 DEADHO C[C@H](NC(=O)CN(C)CC(C)(C)C)C1C[NH+](CC2CCC2)C1 ZINC001378544289 1152370644 /nfs/dbraw/zinc/37/06/44/1152370644.db2.gz VJXMQFUZZIXLRV-AWEZNQCLSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cc(C)ccc1C)N(C)C ZINC001378578228 1152382504 /nfs/dbraw/zinc/38/25/04/1152382504.db2.gz JKFLHNSOFAYKCQ-CRAIPNDOSA-N 1 3 319.493 2.486 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@@H](C)C1CN(Cc2ccccc2)C1 ZINC001378592723 1152387171 /nfs/dbraw/zinc/38/71/71/1152387171.db2.gz YMKHFBGBZXUDJU-INIZCTEOSA-N 1 3 317.477 2.355 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@@H](C)C1CN(Cc2ccccc2)C1 ZINC001378592723 1152387175 /nfs/dbraw/zinc/38/71/75/1152387175.db2.gz YMKHFBGBZXUDJU-INIZCTEOSA-N 1 3 317.477 2.355 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[N@H+](CC1CCCC1)C1CC1)N(C)C ZINC001400005818 1161631480 /nfs/dbraw/zinc/63/14/80/1161631480.db2.gz MGZTTXXLEFZIJR-KRWDZBQOSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[N@@H+](CC1CCCC1)C1CC1)N(C)C ZINC001400005818 1161631482 /nfs/dbraw/zinc/63/14/82/1161631482.db2.gz MGZTTXXLEFZIJR-KRWDZBQOSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H](NC1CC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000294927205 533802436 /nfs/dbraw/zinc/80/24/36/533802436.db2.gz CYFUNTYTSNKNHY-RVKKMQEKSA-N 1 3 315.461 2.296 20 0 DEADHO C[C@H](NC1CC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000294927205 533802444 /nfs/dbraw/zinc/80/24/44/533802444.db2.gz CYFUNTYTSNKNHY-RVKKMQEKSA-N 1 3 315.461 2.296 20 0 DEADHO C[C@H](CCC[NH3+])N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000423039607 533875491 /nfs/dbraw/zinc/87/54/91/533875491.db2.gz FRRKXFKKNAXORO-YGRLFVJLSA-N 1 3 313.804 2.301 20 0 DEADHO C[C@H](CNC(=O)C[C@@H](N)c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000448236410 534077537 /nfs/dbraw/zinc/07/75/37/534077537.db2.gz BHKOMBSVSJVITK-BFYDXBDKSA-N 1 3 303.450 2.456 20 0 DEADHO C[C@H](CNC(=O)C[C@@H](N)c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000448236410 534077543 /nfs/dbraw/zinc/07/75/43/534077543.db2.gz BHKOMBSVSJVITK-BFYDXBDKSA-N 1 3 303.450 2.456 20 0 DEADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCCOC[C@H]1CCCO1 ZINC000422776393 534178725 /nfs/dbraw/zinc/17/87/25/534178725.db2.gz ALMQUQWKXMSBKB-CGTJXYLNSA-N 1 3 306.450 2.120 20 0 DEADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000418187622 534183196 /nfs/dbraw/zinc/18/31/96/534183196.db2.gz SVSNJYCKQHVPFP-XJNFMUPTSA-N 1 3 318.465 2.057 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC=C(Cl)Cl)[C@H]1C ZINC001448973198 1185467611 /nfs/dbraw/zinc/46/76/11/1185467611.db2.gz FHHRQYVMHDKXPD-NEPJUHHUSA-N 1 3 322.280 2.226 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]2C2CCOCC2)CC1 ZINC000337320188 519681055 /nfs/dbraw/zinc/68/10/55/519681055.db2.gz OOPLPRQSJCJCEI-IBGZPJMESA-N 1 3 323.525 2.294 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H]2C2CCOCC2)CC1 ZINC000337320188 519681059 /nfs/dbraw/zinc/68/10/59/519681059.db2.gz OOPLPRQSJCJCEI-IBGZPJMESA-N 1 3 323.525 2.294 20 0 DEADHO CCN1CCC(NC(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000339407850 521575044 /nfs/dbraw/zinc/57/50/44/521575044.db2.gz YTLYLTPELXWKLV-UHFFFAOYSA-N 1 3 310.486 2.034 20 0 DEADHO CCN1CCC(NC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000337371630 521576016 /nfs/dbraw/zinc/57/60/16/521576016.db2.gz RFXUSUHPVSXBFB-IYBDPMFKSA-N 1 3 324.513 2.138 20 0 DEADHO CCN1CCC(NC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000337371630 521576019 /nfs/dbraw/zinc/57/60/19/521576019.db2.gz RFXUSUHPVSXBFB-IYBDPMFKSA-N 1 3 324.513 2.138 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H](OC)C2CC2)CC1 ZINC000339527292 521699816 /nfs/dbraw/zinc/69/98/16/521699816.db2.gz QYPNOIRVUMKKJL-LJQANCHMSA-N 1 3 317.477 2.343 20 0 DEADHO [NH3+]CC1CCC(NCC(=O)Nc2ccc(F)c(F)c2F)CC1 ZINC000422930831 534594231 /nfs/dbraw/zinc/59/42/31/534594231.db2.gz WDTQHHNBFUUEKN-UHFFFAOYSA-N 1 3 315.339 2.150 20 0 DEADHO COc1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)cc1F ZINC000126493781 524004402 /nfs/dbraw/zinc/00/44/02/524004402.db2.gz UXOFZDBKVLOFJY-UHFFFAOYSA-N 1 3 323.456 2.292 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)[C@H](CC)N(C)C)[NH+](C)C)cc1 ZINC000124588816 524029654 /nfs/dbraw/zinc/02/96/54/524029654.db2.gz WZXKRROOSTVCCJ-DLBZAZTESA-N 1 3 305.466 2.308 20 0 DEADHO C[C@H]1CCCN(CCNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000106530374 524089787 /nfs/dbraw/zinc/08/97/87/524089787.db2.gz BORYCGJTLQTLES-JKSUJKDBSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@H]1CCCN(CCNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000106530374 524089790 /nfs/dbraw/zinc/08/97/90/524089790.db2.gz BORYCGJTLQTLES-JKSUJKDBSA-N 1 3 322.497 2.034 20 0 DEADHO CC(C)(CC[NH3+])NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000422590217 527027077 /nfs/dbraw/zinc/02/70/77/527027077.db2.gz KXEMJDQJEOYVJS-MRXNPFEDSA-N 1 3 318.465 2.078 20 0 DEADHO CCN1CCN(c2cccc(N[C@@H]3CCC[NH2+]CC3)c2)CC1 ZINC000415103892 527712251 /nfs/dbraw/zinc/71/22/51/527712251.db2.gz KLALLTSQLLJHQG-MRXNPFEDSA-N 1 3 302.466 2.383 20 0 DEADHO CCCN(C(=O)N[C@@H](CC(C)C)CN1CCCC1)[C@H]1CC[NH2+]C1 ZINC000418232386 527761616 /nfs/dbraw/zinc/76/16/16/527761616.db2.gz DLLSZCALCQJUEU-IRXDYDNUSA-N 1 3 324.513 2.280 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@H](N)c1ccccc1 ZINC000418209192 527986126 /nfs/dbraw/zinc/98/61/26/527986126.db2.gz WJYJAXHGLQZQRT-ZBFHGGJFSA-N 1 3 306.454 2.106 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@H](N)c1ccccc1 ZINC000418209192 527986129 /nfs/dbraw/zinc/98/61/29/527986129.db2.gz WJYJAXHGLQZQRT-ZBFHGGJFSA-N 1 3 306.454 2.106 20 0 DEADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000418457391 528191069 /nfs/dbraw/zinc/19/10/69/528191069.db2.gz VMGNGTOPOOHTIJ-KRWDZBQOSA-N 1 3 318.465 2.202 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000448031609 528253166 /nfs/dbraw/zinc/25/31/66/528253166.db2.gz RDPPJWASVFKDOJ-HZPDHXFCSA-N 1 3 324.513 2.233 20 0 DEADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H](N)c1ccccc1 ZINC000418422246 528447166 /nfs/dbraw/zinc/44/71/66/528447166.db2.gz DEYNGLCFAUSTHW-KRWDZBQOSA-N 1 3 318.465 2.204 20 0 DEADHO CC1(C)CCCN(CCNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000444842733 528935506 /nfs/dbraw/zinc/93/55/06/528935506.db2.gz AJSBIMLUCGBYLO-CVEARBPZSA-N 1 3 322.497 2.034 20 0 DEADHO CC1(C)CCCN(CCNC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000444842733 528935509 /nfs/dbraw/zinc/93/55/09/528935509.db2.gz AJSBIMLUCGBYLO-CVEARBPZSA-N 1 3 322.497 2.034 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000417585383 529000914 /nfs/dbraw/zinc/00/09/14/529000914.db2.gz PABIPXYWWNDCJH-QGZVFWFLSA-N 1 3 324.513 2.411 20 0 DEADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000447954885 529013330 /nfs/dbraw/zinc/01/33/30/529013330.db2.gz NBLGEFNPWFQOIP-JKSUJKDBSA-N 1 3 324.513 2.280 20 0 DEADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000447954885 529013332 /nfs/dbraw/zinc/01/33/32/529013332.db2.gz NBLGEFNPWFQOIP-JKSUJKDBSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000418095648 529043102 /nfs/dbraw/zinc/04/31/02/529043102.db2.gz HFIWOVZXVDWMKF-HUUCEWRRSA-N 1 3 312.502 2.122 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCC[C@H]1C[NH2+]C)c1ccco1 ZINC000418168349 529182025 /nfs/dbraw/zinc/18/20/25/529182025.db2.gz OBANXXCFNQULOH-KKUMJFAQSA-N 1 3 322.453 2.102 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)c1ccco1 ZINC000418171003 529182321 /nfs/dbraw/zinc/18/23/21/529182321.db2.gz TVKOQENVTTZMSI-BYNSBNAKSA-N 1 3 322.453 2.088 20 0 DEADHO CC[C@@H](C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)[NH+](C)C ZINC000298122567 529289121 /nfs/dbraw/zinc/28/91/21/529289121.db2.gz AZLXVGNLPXIZJZ-CABCVRRESA-N 1 3 311.857 2.399 20 0 DEADHO CC[C@H](CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])Oc1ccccc1F ZINC000422821290 529369535 /nfs/dbraw/zinc/36/95/35/529369535.db2.gz VIRKQXBVRRJKNM-HGTKMLMNSA-N 1 3 310.413 2.325 20 0 DEADHO CC[C@H](CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+])Oc1ccccc1F ZINC000422821292 529369904 /nfs/dbraw/zinc/36/99/04/529369904.db2.gz VIRKQXBVRRJKNM-KNCOVGOOSA-N 1 3 310.413 2.325 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H](C)C1=CCN(C)CC1)[NH+]1CCCCC1 ZINC000358377981 535139956 /nfs/dbraw/zinc/13/99/56/535139956.db2.gz MZRNNIGUPMHWCN-RDJZCZTQSA-N 1 3 307.482 2.264 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000358111413 535173252 /nfs/dbraw/zinc/17/32/52/535173252.db2.gz MCSJQIACUUDDNL-JKSUJKDBSA-N 1 3 322.497 2.056 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000358111413 535173255 /nfs/dbraw/zinc/17/32/55/535173255.db2.gz MCSJQIACUUDDNL-JKSUJKDBSA-N 1 3 322.497 2.056 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)CC1 ZINC000375350340 535198764 /nfs/dbraw/zinc/19/87/64/535198764.db2.gz VHRZYGPLSJBFGV-ROUUACIJSA-N 1 3 309.498 2.046 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H]2[C@@H]2CCCO2)CC1 ZINC000375350340 535198766 /nfs/dbraw/zinc/19/87/66/535198766.db2.gz VHRZYGPLSJBFGV-ROUUACIJSA-N 1 3 309.498 2.046 20 0 DEADHO CC[NH+](CC)CC1CCN(Cc2c[nH]c3nccnc23)CC1 ZINC000356079884 535497192 /nfs/dbraw/zinc/49/71/92/535497192.db2.gz BXRUQRRYBBZZOV-UHFFFAOYSA-N 1 3 301.438 2.463 20 0 DEADHO CN(C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000263145490 536047006 /nfs/dbraw/zinc/04/70/06/536047006.db2.gz CRMCWMRYQTZEDZ-FUHWJXTLSA-N 1 3 303.450 2.272 20 0 DEADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000449063910 536352898 /nfs/dbraw/zinc/35/28/98/536352898.db2.gz RUHGGOKRFXTMJE-IRXDYDNUSA-N 1 3 319.493 2.300 20 0 DEADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000358850300 536403609 /nfs/dbraw/zinc/40/36/09/536403609.db2.gz DPBSCWLOKXEKQF-IRXDYDNUSA-N 1 3 321.440 2.201 20 0 DEADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000358850300 536403611 /nfs/dbraw/zinc/40/36/11/536403611.db2.gz DPBSCWLOKXEKQF-IRXDYDNUSA-N 1 3 321.440 2.201 20 0 DEADHO C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)CCN1Cc1ccsc1 ZINC001368691442 1148579136 /nfs/dbraw/zinc/57/91/36/1148579136.db2.gz JZPRQGNNIFXBCO-DZGCQCFKSA-N 1 3 309.479 2.169 20 0 DEADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cccc(F)c1 ZINC001368716557 1148610546 /nfs/dbraw/zinc/61/05/46/1148610546.db2.gz FWSFBNDQLUYIRF-AWEZNQCLSA-N 1 3 321.440 2.294 20 0 DEADHO CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001379211234 1152590848 /nfs/dbraw/zinc/59/08/48/1152590848.db2.gz BSBICRADJXMUAG-XJKSGUPXSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC1CC(C)(C)C1)N(C)C ZINC001379278225 1152601102 /nfs/dbraw/zinc/60/11/02/1152601102.db2.gz ASDZFBHGWNOLFM-ZBFHGGJFSA-N 1 3 311.514 2.445 20 0 DEADHO Cc1ccc(C)c(C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001379387746 1152618325 /nfs/dbraw/zinc/61/83/25/1152618325.db2.gz XYYIVGUPNIFMSL-AEFFLSMTSA-N 1 3 319.493 2.484 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(F)cc1 ZINC001379462505 1152628218 /nfs/dbraw/zinc/62/82/18/1152628218.db2.gz ATLHKQYNTWSWPZ-RHSMWYFYSA-N 1 3 321.440 2.294 20 0 DEADHO CC[C@@H](F)CN1CC[C@@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001368825063 1148692661 /nfs/dbraw/zinc/69/26/61/1148692661.db2.gz HNWXQYHTWBAQTB-HUUCEWRRSA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@@H](F)CN1CC[C@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001368825056 1148692875 /nfs/dbraw/zinc/69/28/75/1148692875.db2.gz HNWXQYHTWBAQTB-CABCVRRESA-N 1 3 315.477 2.293 20 0 DEADHO C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820402002 607014944 /nfs/dbraw/zinc/01/49/44/607014944.db2.gz BHBJMPHNENJNBX-CHWSQXEVSA-N 1 3 314.437 2.248 20 0 DEADHO C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820402002 607014946 /nfs/dbraw/zinc/01/49/46/607014946.db2.gz BHBJMPHNENJNBX-CHWSQXEVSA-N 1 3 314.437 2.248 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001381125237 1152918188 /nfs/dbraw/zinc/91/81/88/1152918188.db2.gz UCQNLWMLIZOIFT-GOEBONIOSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC(C)([NH+]3CCCCC3)CC2)C1 ZINC001363322965 1153335915 /nfs/dbraw/zinc/33/59/15/1153335915.db2.gz LCXFNWOKISACNN-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO CC1(C)[C@H](NC[C@@H](O)CCc2ccccc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925648791 625504196 /nfs/dbraw/zinc/50/41/96/625504196.db2.gz XWIWQYUCFQXJSL-XWTMOSNGSA-N 1 3 302.462 2.346 20 0 DEADHO CC1(C)[C@H]([NH2+]C[C@@H](O)CCc2ccccc2)[C@@H]2CCCN[C@@H]21 ZINC000925648791 625504205 /nfs/dbraw/zinc/50/42/05/625504205.db2.gz XWIWQYUCFQXJSL-XWTMOSNGSA-N 1 3 302.462 2.346 20 0 DEADHO CC(C)(C(=O)N1CCC[C@H](C[NH2+]CC2CC2)C1)N1CCCCC1 ZINC001023986927 625518450 /nfs/dbraw/zinc/51/84/50/625518450.db2.gz NMCYKKKLZXRZDW-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CC[NH2+]C1CCC(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001026559376 625525240 /nfs/dbraw/zinc/52/52/40/625525240.db2.gz JKDCGIYBDYEKFH-KVULBXGLSA-N 1 3 313.461 2.236 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCC2)C1 ZINC000969650165 622864138 /nfs/dbraw/zinc/86/41/38/622864138.db2.gz QLSNWOXEMDZQJA-WMLDXEAASA-N 1 3 307.482 2.096 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001020585360 622924747 /nfs/dbraw/zinc/92/47/47/622924747.db2.gz SXQNHUSNJMUWCX-SZMVWBNQSA-N 1 3 315.461 2.216 20 0 DEADHO C[C@H]([NH2+][C@@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1)c1ccccc1 ZINC001020590003 622929908 /nfs/dbraw/zinc/92/99/08/622929908.db2.gz JTBGAJMCPMZOEY-LAQRGFTBSA-N 1 3 315.461 2.326 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC000969955338 623018599 /nfs/dbraw/zinc/01/85/99/623018599.db2.gz PKHHDDVRMCGKFB-NVXWUHKLSA-N 1 3 319.493 2.099 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CC2)C1 ZINC001020675773 623060139 /nfs/dbraw/zinc/06/01/39/623060139.db2.gz FLFFZYJSXXFPKV-BRWVUGGUSA-N 1 3 307.482 2.286 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CC(C)C2)C1 ZINC001021092147 623336661 /nfs/dbraw/zinc/33/66/61/623336661.db2.gz HAOJXHMFOQGFJJ-SWHNLWLKSA-N 1 3 307.482 2.144 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CC(C)C2)C1 ZINC001021092148 623336999 /nfs/dbraw/zinc/33/69/99/623336999.db2.gz HAOJXHMFOQGFJJ-YOTSKQKMSA-N 1 3 307.482 2.144 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001026732287 625693663 /nfs/dbraw/zinc/69/36/63/625693663.db2.gz BLYJPGNDPPVGJH-IAGOWNOFSA-N 1 3 307.482 2.099 20 0 DEADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000891433865 624167772 /nfs/dbraw/zinc/16/77/72/624167772.db2.gz FONXEJDSHOKILS-HUUCEWRRSA-N 1 3 322.497 2.174 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2F)C1 ZINC000998719547 634386757 /nfs/dbraw/zinc/38/67/57/634386757.db2.gz GURXUMPMBPRQQP-WBVHZDCISA-N 1 3 319.424 2.001 20 0 DEADHO OCc1c[nH+]ccc1N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000891645982 624512313 /nfs/dbraw/zinc/51/23/13/624512313.db2.gz NFTDXCJALLSWFK-UHFFFAOYSA-N 1 3 315.392 2.425 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)CN1C1CC1 ZINC000891658925 624519806 /nfs/dbraw/zinc/51/98/06/624519806.db2.gz BCPXKBQQDASFKI-QWQRMKEZSA-N 1 3 322.497 2.018 20 0 DEADHO COc1ccccc1CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC000891927180 624665056 /nfs/dbraw/zinc/66/50/56/624665056.db2.gz PZIUOKCBYSRAAN-UHFFFAOYSA-N 1 3 317.477 2.155 20 0 DEADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001022712602 624864698 /nfs/dbraw/zinc/86/46/98/624864698.db2.gz VEXDUVRQFNSDBN-BHYGNILZSA-N 1 3 307.482 2.288 20 0 DEADHO C[C@H]1CN(CCCC[NH2+]Cc2cn3ccnc3s2)C[C@H](C)O1 ZINC000893039555 625071943 /nfs/dbraw/zinc/07/19/43/625071943.db2.gz YOSBQLKFTSSVFP-KBPBESRZSA-N 1 3 322.478 2.375 20 0 DEADHO CN(Cc1ccsc1)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001027680403 634432860 /nfs/dbraw/zinc/43/28/60/634432860.db2.gz DXEZCPRXHNLLAA-HOTGVXAUSA-N 1 3 321.490 2.123 20 0 DEADHO CN(Cc1ccsc1)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001027680403 634432861 /nfs/dbraw/zinc/43/28/61/634432861.db2.gz DXEZCPRXHNLLAA-HOTGVXAUSA-N 1 3 321.490 2.123 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2C[C@@H]3CSC[C@]3(C)C2)CC1 ZINC000934766387 625102385 /nfs/dbraw/zinc/10/23/85/625102385.db2.gz PEYAZJGYIMCFOR-SJORKVTESA-N 1 3 311.539 2.087 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2C[C@@H]3CSC[C@]3(C)C2)CC1 ZINC000934766387 625102386 /nfs/dbraw/zinc/10/23/86/625102386.db2.gz PEYAZJGYIMCFOR-SJORKVTESA-N 1 3 311.539 2.087 20 0 DEADHO CC1CCN([C@H](CN[C@@H]2C[NH2+]CCOC2)c2cccs2)CC1 ZINC000925503578 625107360 /nfs/dbraw/zinc/10/73/60/625107360.db2.gz OJUKDNNTTAJOOK-HZPDHXFCSA-N 1 3 323.506 2.099 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC001026149095 625155352 /nfs/dbraw/zinc/15/53/52/625155352.db2.gz OKULHTVPYCCOKL-AZLANHEYSA-N 1 3 321.509 2.342 20 0 DEADHO CCC(CC)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC001026149095 625155353 /nfs/dbraw/zinc/15/53/53/625155353.db2.gz OKULHTVPYCCOKL-AZLANHEYSA-N 1 3 321.509 2.342 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001023364956 625239012 /nfs/dbraw/zinc/23/90/12/625239012.db2.gz STZZEMPGORKNSI-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001023364956 625239013 /nfs/dbraw/zinc/23/90/13/625239013.db2.gz STZZEMPGORKNSI-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001027692350 634446530 /nfs/dbraw/zinc/44/65/30/634446530.db2.gz GPWPJUVGDNXZMZ-INIZCTEOSA-N 1 3 303.450 2.305 20 0 DEADHO CC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001027692350 634446533 /nfs/dbraw/zinc/44/65/33/634446533.db2.gz GPWPJUVGDNXZMZ-INIZCTEOSA-N 1 3 303.450 2.305 20 0 DEADHO CC1CC(C[NH2+][C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000999354382 634564419 /nfs/dbraw/zinc/56/44/19/634564419.db2.gz PYMOLWGPBJLECL-GPANFISMSA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]CC3CCCC3)C2)CCC1 ZINC000999348765 634569090 /nfs/dbraw/zinc/56/90/90/634569090.db2.gz PPHNTXWDCVJAJJ-MRXNPFEDSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)C2CC([NH2+]Cc3ccsc3)C2)C1 ZINC000999409016 634586201 /nfs/dbraw/zinc/58/62/01/634586201.db2.gz OADQLOMPLMEAMB-JEYLPNPQSA-N 1 3 321.490 2.169 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]Cc2ccsc2)C1 ZINC001000190735 634783731 /nfs/dbraw/zinc/78/37/31/634783731.db2.gz HKVFFFOMLWCRPE-ZBFHGGJFSA-N 1 3 321.490 2.313 20 0 DEADHO CC1(C)CCN(CC(=O)N2CCC[C@H]([NH2+]CC3CCCC3)C2)C1 ZINC001000200091 634785812 /nfs/dbraw/zinc/78/58/12/634785812.db2.gz OXYMRGFFUNQXRJ-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2csc(C)c2)C1)N(C)C ZINC001000222200 634800482 /nfs/dbraw/zinc/80/04/82/634800482.db2.gz CGWACHBLSSHSTH-HOTGVXAUSA-N 1 3 323.506 2.477 20 0 DEADHO OC[C@@H]1CCC[N@@H+]1CCCCNCc1nccc2c1CCCC2 ZINC000921721008 634809108 /nfs/dbraw/zinc/80/91/08/634809108.db2.gz OTBMEOOWSAVIAX-KRWDZBQOSA-N 1 3 317.477 2.287 20 0 DEADHO OC[C@@H]1CCC[N@H+]1CCCCNCc1nccc2c1CCCC2 ZINC000921721008 634809113 /nfs/dbraw/zinc/80/91/13/634809113.db2.gz OTBMEOOWSAVIAX-KRWDZBQOSA-N 1 3 317.477 2.287 20 0 DEADHO COC(=O)[C@@H](C)Oc1ccccc1C[NH2+]C[C@@H]1CCCN(C)C1 ZINC000921714471 634804208 /nfs/dbraw/zinc/80/42/08/634804208.db2.gz ASYQEZZNCPRCOJ-CABCVRRESA-N 1 3 320.433 2.058 20 0 DEADHO CN(CC(=O)N1C[C@@H]([NH2+]CC2CCC2)C(C)(C)C1)C1CCC1 ZINC000995919518 633139863 /nfs/dbraw/zinc/13/98/63/633139863.db2.gz ROWNRUBVWCZZRI-MRXNPFEDSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)(C(=O)N1C[C@@H]([NH2+]CC2CC2)C(C)(C)C1)N1CCCC1 ZINC000996132824 633192772 /nfs/dbraw/zinc/19/27/72/633192772.db2.gz GLDQMXJYNZUPON-OAHLLOKOSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]([NH2+]CC3CCCC3)C(C)(C)C2)C1 ZINC000996302111 633233007 /nfs/dbraw/zinc/23/30/07/633233007.db2.gz WANGNSKMTADICT-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]CC2CCCC2)C(C)(C)C1)N(C)C ZINC000996314652 633235090 /nfs/dbraw/zinc/23/50/90/633235090.db2.gz JOOPWUZVHDJNLT-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CC1=CCCCC1 ZINC000996353892 633245557 /nfs/dbraw/zinc/24/55/57/633245557.db2.gz DXKDAYSWWJAHMB-MRXNPFEDSA-N 1 3 316.449 2.279 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)C1)C1CC1 ZINC001026887545 633247840 /nfs/dbraw/zinc/24/78/40/633247840.db2.gz RCOAFMBNNHDCPJ-AEFFLSMTSA-N 1 3 319.493 2.265 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC000996379330 633251068 /nfs/dbraw/zinc/25/10/68/633251068.db2.gz KVHUCSISMKJXBZ-IRXDYDNUSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1C[N@@H+](C(C)C)CC1(C)C ZINC000974760414 633284620 /nfs/dbraw/zinc/28/46/20/633284620.db2.gz QZOKZMOYZKDUHF-CVEARBPZSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1C[N@H+](C(C)C)CC1(C)C ZINC000974760414 633284624 /nfs/dbraw/zinc/28/46/24/633284624.db2.gz QZOKZMOYZKDUHF-CVEARBPZSA-N 1 3 309.498 2.342 20 0 DEADHO CN(CC(=O)N1CCC([NH2+]CC2CC(C)(C)C2)CC1)C1CCC1 ZINC000996673205 633342453 /nfs/dbraw/zinc/34/24/53/633342453.db2.gz SZZIHOBRNHXLES-UHFFFAOYSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC([NH2+]Cc2ccccc2)CC1)N(C)C ZINC000996978296 633547245 /nfs/dbraw/zinc/54/72/45/633547245.db2.gz NUJJLHNWDUHHBZ-GOSISDBHSA-N 1 3 317.477 2.353 20 0 DEADHO C[C@H]1CCC[N@H+](CCCCNCc2c3c(nn2C)CCOC3)C1 ZINC000921535977 633627360 /nfs/dbraw/zinc/62/73/60/633627360.db2.gz MQHFZQYYBNTLLH-HNNXBMFYSA-N 1 3 320.481 2.095 20 0 DEADHO C[C@H]1CCC[N@@H+](CCCCNCc2c3c(nn2C)CCOC3)C1 ZINC000921535977 633627364 /nfs/dbraw/zinc/62/73/64/633627364.db2.gz MQHFZQYYBNTLLH-HNNXBMFYSA-N 1 3 320.481 2.095 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CCC2CC2)C1)C1CC1 ZINC001027443286 633793328 /nfs/dbraw/zinc/79/33/28/633793328.db2.gz LAKNOODSDGWLMG-DLBZAZTESA-N 1 3 307.482 2.050 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CCC2CC2)C1)C1CC1 ZINC001027443286 633793330 /nfs/dbraw/zinc/79/33/30/633793330.db2.gz LAKNOODSDGWLMG-DLBZAZTESA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@H](C(=O)N1CCC(C[NH2+]CC2CC(C)C2)CC1)N(C)C ZINC000997855696 634010470 /nfs/dbraw/zinc/01/04/70/634010470.db2.gz OQCMGMKKXNYRGJ-BDVYOWHSSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2ccccc2)CC1)N(C)C ZINC000998084611 634135180 /nfs/dbraw/zinc/13/51/80/634135180.db2.gz DYCUNZGYYYNJOA-SFHVURJKSA-N 1 3 317.477 2.355 20 0 DEADHO CC(C)C[N@H+](C)[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027577958 634188569 /nfs/dbraw/zinc/18/85/69/634188569.db2.gz YNKQFYGXBICPTM-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[N@@H+](C)[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027577958 634188574 /nfs/dbraw/zinc/18/85/74/634188574.db2.gz YNKQFYGXBICPTM-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]CC2=CCCCC2)C1 ZINC000998550467 634323610 /nfs/dbraw/zinc/32/36/10/634323610.db2.gz MFICCFQLSQPPBD-OFLPRAFFSA-N 1 3 305.466 2.160 20 0 DEADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]CC2CC(C)(C)C2)C1 ZINC000998548934 634323756 /nfs/dbraw/zinc/32/37/56/634323756.db2.gz IYFYHKKXBYKKSK-GPANFISMSA-N 1 3 307.482 2.096 20 0 DEADHO CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C[C@H]2C1 ZINC000980171489 634878267 /nfs/dbraw/zinc/87/82/67/634878267.db2.gz LZZSNVVHWJKTCR-HRCADAONSA-N 1 3 307.482 2.097 20 0 DEADHO CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C[C@H]2C1 ZINC000980171489 634878268 /nfs/dbraw/zinc/87/82/68/634878268.db2.gz LZZSNVVHWJKTCR-HRCADAONSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1C[C@@H](C[NH2+]CC2CCCCC2)CN1C(=O)CN1CCCC1 ZINC000980802370 635160326 /nfs/dbraw/zinc/16/03/26/635160326.db2.gz YLOHBCHSEKGIEE-AEFFLSMTSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)(C(=O)N[C@H]1CCC[C@@H]([NH2+]CCF)C1)N1CCCCC1 ZINC000981090476 635304573 /nfs/dbraw/zinc/30/45/73/635304573.db2.gz CQGQSGQYVONLMS-CABCVRRESA-N 1 3 313.461 2.237 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[N@H+](CCC2CC2)CC1 ZINC000981143240 635330043 /nfs/dbraw/zinc/33/00/43/635330043.db2.gz HCHWZHMRVJLZEF-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[N@@H+](CCC2CC2)CC1 ZINC000981143240 635330046 /nfs/dbraw/zinc/33/00/46/635330046.db2.gz HCHWZHMRVJLZEF-QGZVFWFLSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCCN(CCCF)CC1 ZINC000981332359 635438698 /nfs/dbraw/zinc/43/86/98/635438698.db2.gz VAZQGOPGECKAFB-MRXNPFEDSA-N 1 3 313.461 2.143 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCCN(CCCF)CC1 ZINC000981332359 635438704 /nfs/dbraw/zinc/43/87/04/635438704.db2.gz VAZQGOPGECKAFB-MRXNPFEDSA-N 1 3 313.461 2.143 20 0 DEADHO CC[N@H+]1CC=C(CNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001001466699 635501979 /nfs/dbraw/zinc/50/19/79/635501979.db2.gz FDJBDBLJMZKRRT-UHFFFAOYSA-N 1 3 301.434 2.130 20 0 DEADHO CC[N@@H+]1CC=C(CNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001001466699 635501984 /nfs/dbraw/zinc/50/19/84/635501984.db2.gz FDJBDBLJMZKRRT-UHFFFAOYSA-N 1 3 301.434 2.130 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NCC1CC[NH+](CCCF)CC1 ZINC001001469776 635503299 /nfs/dbraw/zinc/50/32/99/635503299.db2.gz ZKRHYGIEGRGOAC-MRXNPFEDSA-N 1 3 313.461 2.049 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CCC[N@H+](CC=C(C)C)C2)N(C)C ZINC000981841795 635687772 /nfs/dbraw/zinc/68/77/72/635687772.db2.gz LTMLTLGMOBGMGU-MRXNPFEDSA-N 1 3 307.482 2.217 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CCC[N@@H+](CC=C(C)C)C2)N(C)C ZINC000981841795 635687775 /nfs/dbraw/zinc/68/77/75/635687775.db2.gz LTMLTLGMOBGMGU-MRXNPFEDSA-N 1 3 307.482 2.217 20 0 DEADHO CC[NH+]1CCC2(CCN(C(=O)CN(C)C3CCC3)CC2)CC1 ZINC000957561330 635730827 /nfs/dbraw/zinc/73/08/27/635730827.db2.gz LSIMVRQVKFJXDM-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@@H+](C(C)C)C2 ZINC000982163824 635890304 /nfs/dbraw/zinc/89/03/04/635890304.db2.gz WDDYPRIOUFLVQF-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@H+](C(C)C)C2 ZINC000982163824 635890307 /nfs/dbraw/zinc/89/03/07/635890307.db2.gz WDDYPRIOUFLVQF-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO CCCCN1CCCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC000982151341 635891216 /nfs/dbraw/zinc/89/12/16/635891216.db2.gz ACRDUBRJGAQPHK-IAGOWNOFSA-N 1 3 307.482 2.338 20 0 DEADHO CCCCN1CCCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC000982151341 635891218 /nfs/dbraw/zinc/89/12/18/635891218.db2.gz ACRDUBRJGAQPHK-IAGOWNOFSA-N 1 3 307.482 2.338 20 0 DEADHO CCCCN1CCCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC000982151333 635891770 /nfs/dbraw/zinc/89/17/70/635891770.db2.gz ACRDUBRJGAQPHK-DLBZAZTESA-N 1 3 307.482 2.338 20 0 DEADHO CCCCN1CCCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC000982151333 635891771 /nfs/dbraw/zinc/89/17/71/635891771.db2.gz ACRDUBRJGAQPHK-DLBZAZTESA-N 1 3 307.482 2.338 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3scnc3C)C2)[C@H]1C(C)C ZINC000922396082 636157872 /nfs/dbraw/zinc/15/78/72/636157872.db2.gz ZYZSRZREIWQTES-MUIFIZLQSA-N 1 3 323.506 2.411 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3scnc3C)C2)[C@H]1C(C)C ZINC000922396082 636157874 /nfs/dbraw/zinc/15/78/74/636157874.db2.gz ZYZSRZREIWQTES-MUIFIZLQSA-N 1 3 323.506 2.411 20 0 DEADHO CC(C)CC[NH+]1CCC(NC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001004205858 636229308 /nfs/dbraw/zinc/22/93/08/636229308.db2.gz FWKJPDDKMCVBBA-HOTGVXAUSA-N 1 3 309.498 2.486 20 0 DEADHO CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982552608 636261871 /nfs/dbraw/zinc/26/18/71/636261871.db2.gz ACXQYOMAQKGYIL-RYQLBKOJSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982552608 636261875 /nfs/dbraw/zinc/26/18/75/636261875.db2.gz ACXQYOMAQKGYIL-RYQLBKOJSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001028536422 636328366 /nfs/dbraw/zinc/32/83/66/636328366.db2.gz BUHULLYECJXGLH-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001028536422 636328372 /nfs/dbraw/zinc/32/83/72/636328372.db2.gz BUHULLYECJXGLH-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(Cc3ccsc3)C2)CC[N@@H+]1C ZINC001028548511 636332062 /nfs/dbraw/zinc/33/20/62/636332062.db2.gz BMSGQVMSFGBNEC-IJEWVQPXSA-N 1 3 321.490 2.026 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(Cc3ccsc3)C2)CC[N@H+]1C ZINC001028548511 636332066 /nfs/dbraw/zinc/33/20/66/636332066.db2.gz BMSGQVMSFGBNEC-IJEWVQPXSA-N 1 3 321.490 2.026 20 0 DEADHO CCc1noc([C@@H]2CC[C@H](N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)n1 ZINC000922866483 636446996 /nfs/dbraw/zinc/44/69/96/636446996.db2.gz NOYLKJNWPHSQEW-QPSCCSFWSA-N 1 3 304.438 2.485 20 0 DEADHO CCc1noc([C@@H]2CC[C@H](N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)n1 ZINC000922866483 636446999 /nfs/dbraw/zinc/44/69/99/636446999.db2.gz NOYLKJNWPHSQEW-QPSCCSFWSA-N 1 3 304.438 2.485 20 0 DEADHO CCN1CCC[C@@H](C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000894211608 636474412 /nfs/dbraw/zinc/47/44/12/636474412.db2.gz RYSNXQGKEIJGOL-AWEZNQCLSA-N 1 3 311.470 2.175 20 0 DEADHO CCN1CCC[C@H](C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000894211610 636474697 /nfs/dbraw/zinc/47/46/97/636474697.db2.gz RYSNXQGKEIJGOL-CQSZACIVSA-N 1 3 311.470 2.175 20 0 DEADHO C[C@@H]([NH2+]CC1CCC1)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001004942824 636615059 /nfs/dbraw/zinc/61/50/59/636615059.db2.gz BDHMMOCLOPYJMA-CZUORRHYSA-N 1 3 304.438 2.112 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]2C[N@@H+](CC3CC3)C[C@H]2CC1 ZINC000946779242 636646164 /nfs/dbraw/zinc/64/61/64/636646164.db2.gz LFEILOGJSGBWSM-NXHRZFHOSA-N 1 3 319.493 2.051 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]2C[N@H+](CC3CC3)C[C@H]2CC1 ZINC000946779242 636646168 /nfs/dbraw/zinc/64/61/68/636646168.db2.gz LFEILOGJSGBWSM-NXHRZFHOSA-N 1 3 319.493 2.051 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001028919192 636850812 /nfs/dbraw/zinc/85/08/12/636850812.db2.gz SCXMJFGTEWILMO-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC001028919192 636850817 /nfs/dbraw/zinc/85/08/17/636850817.db2.gz SCXMJFGTEWILMO-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC[NH+](CC2CC2)CC1 ZINC001006000210 637060052 /nfs/dbraw/zinc/06/00/52/637060052.db2.gz FIEYFCZGDDPQQK-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[C@@](C)(C[NH3+])NC[C@@H](O)COc1ccccc1Cl ZINC000923295649 637097115 /nfs/dbraw/zinc/09/71/15/637097115.db2.gz CWUXEOFUYYTTHF-IUODEOHRSA-N 1 3 300.830 2.043 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)CN[C@@](C)(C[NH3+])C(C)C)c1C ZINC000923297089 637097358 /nfs/dbraw/zinc/09/73/58/637097358.db2.gz YCHCNEKWAOHHQK-AEFFLSMTSA-N 1 3 308.466 2.315 20 0 DEADHO Cc1csc(C2(NC[C@@H]3CC4(C[NH2+]C4)CO3)CCCC2)n1 ZINC000923326603 637117734 /nfs/dbraw/zinc/11/77/34/637117734.db2.gz MPRWKGSJHRKYGL-ZDUSSCGKSA-N 1 3 307.463 2.189 20 0 DEADHO O[C@H](CN1CCC([C@H]2CC[NH2+]C2)CC1)c1ccc(F)cc1F ZINC000923357451 637131625 /nfs/dbraw/zinc/13/16/25/637131625.db2.gz NTBMZCGQKLJHOT-SUMWQHHRSA-N 1 3 310.388 2.320 20 0 DEADHO CC(C)Oc1cccc(CN(C)C[C@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923372600 637137999 /nfs/dbraw/zinc/13/79/99/637137999.db2.gz HOSRGIQIWRQPOD-QGZVFWFLSA-N 1 3 304.434 2.284 20 0 DEADHO Cc1ccccc1OC[C@H](O)CN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000923382935 637149551 /nfs/dbraw/zinc/14/95/51/637149551.db2.gz NMSCADRDWURBGS-VVLHAWIVSA-N 1 3 306.450 2.040 20 0 DEADHO NC(=O)c1cccc2c1CCN(CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000923398774 637159631 /nfs/dbraw/zinc/15/96/31/637159631.db2.gz WGGXMCJAAYGSRA-VHRNVKJDSA-N 1 3 313.445 2.064 20 0 DEADHO C[C@@H]1CN(C[C@@H](O)Cc2ccccc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000923410390 637164600 /nfs/dbraw/zinc/16/46/00/637164600.db2.gz GKLYIKNWSSEMOJ-XBFCOCLRSA-N 1 3 316.367 2.135 20 0 DEADHO CSc1cccc(NC(=O)[C@H](C)N2CC[C@@H](CC[NH3+])C2)c1 ZINC000923486936 637201582 /nfs/dbraw/zinc/20/15/82/637201582.db2.gz VTWXFKGIXSCUAK-QWHCGFSZSA-N 1 3 307.463 2.406 20 0 DEADHO Cc1ccc([C@H](C)NC(=O)CN2CC[C@H](CC[NH3+])C2)cc1C ZINC000923489618 637209131 /nfs/dbraw/zinc/20/91/31/637209131.db2.gz PYCLCJBARSTFBK-HOTGVXAUSA-N 1 3 303.450 2.151 20 0 DEADHO C[C@H]1CN(CC(=O)N(Cc2ccccc2)C2CC2)CC[C@@H]1C[NH3+] ZINC000923500406 637217269 /nfs/dbraw/zinc/21/72/69/637217269.db2.gz PZRRFSQIVJMCFB-DOTOQJQBSA-N 1 3 315.461 2.094 20 0 DEADHO C[C@H]1[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)CCN1C ZINC000928442244 637243332 /nfs/dbraw/zinc/24/33/32/637243332.db2.gz ADVHHXLXWQGJNW-YOEHRIQHSA-N 1 3 301.434 2.105 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC([C@H](C)[NH2+]CC2CC2)CC1)N(C)C ZINC001029110829 637244375 /nfs/dbraw/zinc/24/43/75/637244375.db2.gz UBQORJMEQWGMTD-YOEHRIQHSA-N 1 3 309.498 2.199 20 0 DEADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCN(C)[C@@H]2C)cc1 ZINC000928444533 637248084 /nfs/dbraw/zinc/24/80/84/637248084.db2.gz UCOQGBFRRCJVAN-PBHICJAKSA-N 1 3 303.450 2.351 20 0 DEADHO CC(C)CN1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001029375468 637680809 /nfs/dbraw/zinc/68/08/09/637680809.db2.gz QPTNDSSKYFLRGZ-FGTMMUONSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)CN1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001029375468 637680811 /nfs/dbraw/zinc/68/08/11/637680811.db2.gz QPTNDSSKYFLRGZ-FGTMMUONSA-N 1 3 321.509 2.438 20 0 DEADHO C[C@H](CC[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)N(C)C ZINC000895291872 637893082 /nfs/dbraw/zinc/89/30/82/637893082.db2.gz IKSBNQCLBMERNM-ZIAGYGMSSA-N 1 3 312.479 2.123 20 0 DEADHO C[C@H](CCNC[C@@H](C)c1ccc(S(C)(=O)=O)cc1)[NH+](C)C ZINC000895291872 637893090 /nfs/dbraw/zinc/89/30/90/637893090.db2.gz IKSBNQCLBMERNM-ZIAGYGMSSA-N 1 3 312.479 2.123 20 0 DEADHO Cc1cc(C)cc(-n2ncc(CNCC3(C)CC[NH2+]CC3)n2)c1 ZINC000841057954 650416912 /nfs/dbraw/zinc/41/69/12/650416912.db2.gz TZKCUUOLOFNLKU-UHFFFAOYSA-N 1 3 313.449 2.363 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@H]1NC1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000841062717 650418841 /nfs/dbraw/zinc/41/88/41/650418841.db2.gz BIZVGHTUAUQFQN-HNAYVOBHSA-N 1 3 316.493 2.452 20 0 DEADHO Cn1nc(C(F)(F)F)c(CN[C@@H]2CC[C@H](C[NH3+])C2)c1Cl ZINC000841084806 650426322 /nfs/dbraw/zinc/42/63/22/650426322.db2.gz PZHIEEKGRJVRRL-JGVFFNPUSA-N 1 3 310.751 2.309 20 0 DEADHO O=C(NCCC[NH2+]C1CCCCC1)[C@H]1CCN1C1CCCC1 ZINC000896445496 638527865 /nfs/dbraw/zinc/52/78/65/638527865.db2.gz RFTFVPAKQNQERN-QGZVFWFLSA-N 1 3 307.482 2.432 20 0 DEADHO CN1CCN(CC2(C)CC[NH+](CC3(O)CCCCC3)CC2)CC1 ZINC000755243682 639533726 /nfs/dbraw/zinc/53/37/26/639533726.db2.gz YHAUUWHDGWCIEQ-UHFFFAOYSA-N 1 3 323.525 2.031 20 0 DEADHO CC[N@H+](C)C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000985646878 639559292 /nfs/dbraw/zinc/55/92/92/639559292.db2.gz MDAMMTLWRGAUFO-QGZVFWFLSA-N 1 3 313.461 2.142 20 0 DEADHO CC[N@@H+](C)C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000985646878 639559296 /nfs/dbraw/zinc/55/92/96/639559296.db2.gz MDAMMTLWRGAUFO-QGZVFWFLSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC([N@H+](C)CC2CCC2)CC1 ZINC000985648008 639561625 /nfs/dbraw/zinc/56/16/25/639561625.db2.gz SXXZLGVXIFQCGX-HNNXBMFYSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC([N@@H+](C)CC2CCC2)CC1 ZINC000985648008 639561629 /nfs/dbraw/zinc/56/16/29/639561629.db2.gz SXXZLGVXIFQCGX-HNNXBMFYSA-N 1 3 307.482 2.194 20 0 DEADHO CC[C@@H]1CN(c2cc(C)nc(N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000758939769 640011616 /nfs/dbraw/zinc/01/16/16/640011616.db2.gz JBDNMNWLIPHGRZ-MRXNPFEDSA-N 1 3 311.433 2.468 20 0 DEADHO CC[C@@H]1CN(c2cc(C)nc(N)n2)CC[N@H+]1Cc1ccccc1 ZINC000758939769 640011620 /nfs/dbraw/zinc/01/16/20/640011620.db2.gz JBDNMNWLIPHGRZ-MRXNPFEDSA-N 1 3 311.433 2.468 20 0 DEADHO C[C@H]1[C@H]([NH2+]CC2CCCCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987060638 640070765 /nfs/dbraw/zinc/07/07/65/640070765.db2.gz VVFLZAIIDAMWLA-XJKSGUPXSA-N 1 3 304.438 2.112 20 0 DEADHO C[C@@H]1[C@@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CN1CCCC1 ZINC000987534775 640214584 /nfs/dbraw/zinc/21/45/84/640214584.db2.gz WKUCEWFXUVLVAA-ZBFHGGJFSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1C[N@H+](C[C@@H]2CC2(Cl)Cl)CC[C@@H]1N1CCN(C)CC1 ZINC000764470152 640641407 /nfs/dbraw/zinc/64/14/07/640641407.db2.gz TYKPQKVNBVEMEK-RDBSUJKOSA-N 1 3 320.308 2.138 20 0 DEADHO C[C@@H]1C[N@@H+](C[C@@H]2CC2(Cl)Cl)CC[C@@H]1N1CCN(C)CC1 ZINC000764470152 640641413 /nfs/dbraw/zinc/64/14/13/640641413.db2.gz TYKPQKVNBVEMEK-RDBSUJKOSA-N 1 3 320.308 2.138 20 0 DEADHO C[C@@H]1C[N@H+](C[C@H]2CC2(Cl)Cl)CC[C@H]1N1CCN(C)CC1 ZINC000764470147 640641723 /nfs/dbraw/zinc/64/17/23/640641723.db2.gz TYKPQKVNBVEMEK-MGPQQGTHSA-N 1 3 320.308 2.138 20 0 DEADHO C[C@@H]1C[N@@H+](C[C@H]2CC2(Cl)Cl)CC[C@H]1N1CCN(C)CC1 ZINC000764470147 640641729 /nfs/dbraw/zinc/64/17/29/640641729.db2.gz TYKPQKVNBVEMEK-MGPQQGTHSA-N 1 3 320.308 2.138 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CC2CC(C)C2)C1)N(C)C ZINC001030019280 640643820 /nfs/dbraw/zinc/64/38/20/640643820.db2.gz FDMWHIQGQPLUMO-GQGLESIBSA-N 1 3 309.498 2.199 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](O)c2ccc(C)o2)[C@@H](C)C1 ZINC000766138067 640852244 /nfs/dbraw/zinc/85/22/44/640852244.db2.gz GBEAJZZZNUTJMI-XIRDDKMYSA-N 1 3 324.465 2.348 20 0 DEADHO CCCN1CCN(c2ccccc2C[N@@H+]2C[C@@H](C)[C@@H](O)C2)CC1 ZINC000897679995 640900454 /nfs/dbraw/zinc/90/04/54/640900454.db2.gz DQMJTTKFCPKMSQ-APWZRJJASA-N 1 3 317.477 2.031 20 0 DEADHO CCCN1CCN(c2ccccc2C[N@H+]2C[C@@H](C)[C@@H](O)C2)CC1 ZINC000897679995 640900456 /nfs/dbraw/zinc/90/04/56/640900456.db2.gz DQMJTTKFCPKMSQ-APWZRJJASA-N 1 3 317.477 2.031 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC2CCCC2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989449237 640994382 /nfs/dbraw/zinc/99/43/82/640994382.db2.gz FNBNUJMUHHQJSY-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000768956096 641149294 /nfs/dbraw/zinc/14/92/94/641149294.db2.gz IMDCZMDIPHGUCC-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000768956096 641149298 /nfs/dbraw/zinc/14/92/98/641149298.db2.gz IMDCZMDIPHGUCC-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO C[C@H](c1ccccc1)N1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000989665674 641188862 /nfs/dbraw/zinc/18/88/62/641188862.db2.gz KGTVHHAOKRALGE-SJLPKXTDSA-N 1 3 315.461 2.234 20 0 DEADHO C[C@H](c1ccccc1)N1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000989665674 641188866 /nfs/dbraw/zinc/18/88/66/641188866.db2.gz KGTVHHAOKRALGE-SJLPKXTDSA-N 1 3 315.461 2.234 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)c1 ZINC000989797539 641236537 /nfs/dbraw/zinc/23/65/37/641236537.db2.gz YNANHQQWDSNPRT-AEFFLSMTSA-N 1 3 315.461 2.170 20 0 DEADHO O[C@H](CN1CCC[C@@H](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000730062350 641333062 /nfs/dbraw/zinc/33/30/62/641333062.db2.gz LRTRYSQOHXGIDF-OALUTQOASA-N 1 3 302.462 2.398 20 0 DEADHO Cc1c([C@@H](C)NCCOCC[NH+](C)C)cnn1-c1ccccc1 ZINC000774377856 641896645 /nfs/dbraw/zinc/89/66/45/641896645.db2.gz WGMJIYWHYLGZBE-OAHLLOKOSA-N 1 3 316.449 2.410 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CCCF)CC2)CC1 ZINC000899811781 642175285 /nfs/dbraw/zinc/17/52/85/642175285.db2.gz QEVSDUNLMDYXDN-UHFFFAOYSA-N 1 3 313.461 2.001 20 0 DEADHO CN(C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000899990658 642231275 /nfs/dbraw/zinc/23/12/75/642231275.db2.gz PAYHQKUOSFQHPC-MSOLQXFVSA-N 1 3 315.461 2.381 20 0 DEADHO CN(C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000899990658 642231279 /nfs/dbraw/zinc/23/12/79/642231279.db2.gz PAYHQKUOSFQHPC-MSOLQXFVSA-N 1 3 315.461 2.381 20 0 DEADHO CCN(CC)[C@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccsc1 ZINC000900191744 642286336 /nfs/dbraw/zinc/28/63/36/642286336.db2.gz DVABQDRGWUIPPV-OAHLLOKOSA-N 1 3 321.490 2.343 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])c1 ZINC000900480449 642383138 /nfs/dbraw/zinc/38/31/38/642383138.db2.gz QILQJERHLHDTLP-QAPCUYQASA-N 1 3 316.449 2.483 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@@]23CC[NH2+]C3)c1 ZINC000900487881 642385320 /nfs/dbraw/zinc/38/53/20/642385320.db2.gz KBUULNMCSVOTCB-KRWDZBQOSA-N 1 3 302.422 2.108 20 0 DEADHO CN(CCCCCCC[NH3+])[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000842473167 650748340 /nfs/dbraw/zinc/74/83/40/650748340.db2.gz QJKMSLHXNMZIPT-CABCVRRESA-N 1 3 304.500 2.183 20 0 DEADHO [NH3+]CCCC[C@@H](NC[C@@H]1COCCO1)c1ccc(F)cc1F ZINC000902321718 642991108 /nfs/dbraw/zinc/99/11/08/642991108.db2.gz XMXKHUVDQNCYKM-CZUORRHYSA-N 1 3 314.376 2.140 20 0 DEADHO CNc1ccccc1C[NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000902338812 643000055 /nfs/dbraw/zinc/00/00/55/643000055.db2.gz XYHHWIYCOBVQOV-ROUUACIJSA-N 1 3 303.450 2.196 20 0 DEADHO CC1(C)C[NH2+]CC[C@H](NCCc2ccccc2S(C)(=O)=O)C1 ZINC000902402055 643030496 /nfs/dbraw/zinc/03/04/96/643030496.db2.gz AFAYAXUXWHNGFK-HNNXBMFYSA-N 1 3 324.490 2.000 20 0 DEADHO COc1ccc2c(c1)C[C@H](C)C[C@@H]2[NH2+]CC1(O)CCN(C)CC1 ZINC000902813826 643155485 /nfs/dbraw/zinc/15/54/85/643155485.db2.gz HYMPBDQQPVJSOF-KSSFIOAISA-N 1 3 318.461 2.365 20 0 DEADHO CCCCCCNC(=O)[C@@H]1CCCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903432999 643347486 /nfs/dbraw/zinc/34/74/86/643347486.db2.gz QAZJFSUYIHNDGP-ZACQAIPSSA-N 1 3 309.498 2.250 20 0 DEADHO FC(F)(F)[C@@H]1CC[C@H](CN2CCC([C@H]3CC[NH2+]C3)CC2)O1 ZINC000903452304 643356449 /nfs/dbraw/zinc/35/64/49/643356449.db2.gz KZAORPRAAOVLSW-MJBXVCDLSA-N 1 3 306.372 2.418 20 0 DEADHO C[C@H](c1ccccn1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903506641 643370752 /nfs/dbraw/zinc/37/07/52/643370752.db2.gz CWFRGWGKYPQUCT-OIISXLGYSA-N 1 3 300.450 2.043 20 0 DEADHO C[C@@H](c1ccncc1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903508638 643373505 /nfs/dbraw/zinc/37/35/05/643373505.db2.gz PFRHGOANDDABRB-JCGIZDLHSA-N 1 3 300.450 2.043 20 0 DEADHO C[C@@H](c1ccncc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903508638 643373506 /nfs/dbraw/zinc/37/35/06/643373506.db2.gz PFRHGOANDDABRB-JCGIZDLHSA-N 1 3 300.450 2.043 20 0 DEADHO C[C@@H](c1ccncc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903508638 643373507 /nfs/dbraw/zinc/37/35/07/643373507.db2.gz PFRHGOANDDABRB-JCGIZDLHSA-N 1 3 300.450 2.043 20 0 DEADHO CN(CCOc1ccccc1Cl)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717529 643437925 /nfs/dbraw/zinc/43/79/25/643437925.db2.gz BKVWRDZDKJDDLN-PBHICJAKSA-N 1 3 324.852 2.419 20 0 DEADHO Cc1ccccc1OCCN(C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903719098 643438267 /nfs/dbraw/zinc/43/82/67/643438267.db2.gz VGHHXOUPLQGNSH-WMZOPIPTSA-N 1 3 304.434 2.074 20 0 DEADHO CC(C)[C@H](C)NC(=O)C1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903725670 643440807 /nfs/dbraw/zinc/44/08/07/643440807.db2.gz FKDLWGAYKHSBBX-HOTGVXAUSA-N 1 3 309.498 2.249 20 0 DEADHO COC(=O)c1ccc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)c2ncccc12 ZINC000903742519 643450757 /nfs/dbraw/zinc/45/07/57/643450757.db2.gz BYDWSOSSQSPXJB-CHWSQXEVSA-N 1 3 313.401 2.191 20 0 DEADHO CC[C@](C)(NC[C@H]1C[C@]2(CC[NH2+]C2)CO1)c1nc(C)cs1 ZINC000903740127 643450801 /nfs/dbraw/zinc/45/08/01/643450801.db2.gz DWHWTBPMEDUBGZ-KBMXLJTQSA-N 1 3 309.479 2.435 20 0 DEADHO CC[C@H](NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1c(C)noc1C ZINC000903759160 643451408 /nfs/dbraw/zinc/45/14/08/643451408.db2.gz PIQCNUZDEAANQX-CABCVRRESA-N 1 3 307.438 2.491 20 0 DEADHO CCOC(=O)[C@H](CCc1ccccc1)N1CC[C@@H](CC[NH3+])C1 ZINC000903788374 643462418 /nfs/dbraw/zinc/46/24/18/643462418.db2.gz JCLIMFLVWRHUSW-SJORKVTESA-N 1 3 304.434 2.222 20 0 DEADHO CC[C@H]1CCCCN1C(=O)CN1CCC(C(C)(C)C[NH3+])CC1 ZINC000903789521 643463303 /nfs/dbraw/zinc/46/33/03/643463303.db2.gz WQYGNSIFLLEBGN-INIZCTEOSA-N 1 3 309.498 2.474 20 0 DEADHO Cc1ccccc1OCC[N@@H+]1CCNCCC12CCOCC2 ZINC000903818159 643464304 /nfs/dbraw/zinc/46/43/04/643464304.db2.gz YXDNTLKHWBPSNT-UHFFFAOYSA-N 1 3 304.434 2.218 20 0 DEADHO Cc1ccccc1OCC[N@H+]1CCNCCC12CCOCC2 ZINC000903818159 643464306 /nfs/dbraw/zinc/46/43/06/643464306.db2.gz YXDNTLKHWBPSNT-UHFFFAOYSA-N 1 3 304.434 2.218 20 0 DEADHO c1ccc(COCC[N@@H+]2CCNCCC23CCOCC3)cc1 ZINC000903818781 643472055 /nfs/dbraw/zinc/47/20/55/643472055.db2.gz VHQJUGKLPVKJPT-UHFFFAOYSA-N 1 3 304.434 2.048 20 0 DEADHO c1ccc(COCC[N@H+]2CCNCCC23CCOCC3)cc1 ZINC000903818781 643472057 /nfs/dbraw/zinc/47/20/57/643472057.db2.gz VHQJUGKLPVKJPT-UHFFFAOYSA-N 1 3 304.434 2.048 20 0 DEADHO C([C@@H]1CCC2(CCCC2)O1)[N@@H+]1CCNCCC12CCOCC2 ZINC000903818964 643472200 /nfs/dbraw/zinc/47/22/00/643472200.db2.gz ZWQITEFBZQWAGQ-INIZCTEOSA-N 1 3 308.466 2.323 20 0 DEADHO C([C@@H]1CCC2(CCCC2)O1)[N@H+]1CCNCCC12CCOCC2 ZINC000903818964 643472204 /nfs/dbraw/zinc/47/22/04/643472204.db2.gz ZWQITEFBZQWAGQ-INIZCTEOSA-N 1 3 308.466 2.323 20 0 DEADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(CCc1cccc3c1OC(F)(F)O3)C2 ZINC000903839420 643477725 /nfs/dbraw/zinc/47/77/25/643477725.db2.gz KPPIZJLRCXZDRZ-UHTWSYAYSA-N 1 3 310.344 2.362 20 0 DEADHO Cc1c(C[C@@H](C[NH3+])CN2CCCc3ccccc3C2)cnn1C ZINC000903892490 643497906 /nfs/dbraw/zinc/49/79/06/643497906.db2.gz SZVFMSYSLYKQMT-INIZCTEOSA-N 1 3 312.461 2.294 20 0 DEADHO OC[C@@H]1c2ccccc2CCN1Cc1cccc2c1CC[NH2+]C2 ZINC000903896277 643498326 /nfs/dbraw/zinc/49/83/26/643498326.db2.gz UTPHBVLXTJBRLO-HXUWFJFHSA-N 1 3 308.425 2.424 20 0 DEADHO C[C@@H](c1nccs1)N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903910597 643505745 /nfs/dbraw/zinc/50/57/45/643505745.db2.gz ONCLWXAVNZLYMJ-HNSVSWJLSA-N 1 3 320.506 2.352 20 0 DEADHO Cc1c(C[C@@H](CN)C[NH2+]C[C@H](C)Cc2cccs2)cnn1C ZINC000903924272 643510150 /nfs/dbraw/zinc/51/01/50/643510150.db2.gz BAKGWXPBLVZQFT-HIFRSBDPSA-N 1 3 320.506 2.376 20 0 DEADHO COCCOc1cccc(C[NH2+]C[C@H]2CNCCC2(F)F)c1 ZINC000903955661 643529059 /nfs/dbraw/zinc/52/90/59/643529059.db2.gz YMCWLUOJYYLNKW-CQSZACIVSA-N 1 3 314.376 2.046 20 0 DEADHO COC(=O)c1ccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1C ZINC000904301981 643630382 /nfs/dbraw/zinc/63/03/82/643630382.db2.gz QVGFRONNRXBONU-XIRDDKMYSA-N 1 3 302.418 2.341 20 0 DEADHO COC(=O)c1ccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1C ZINC000904301980 643630549 /nfs/dbraw/zinc/63/05/49/643630549.db2.gz QVGFRONNRXBONU-USXIJHARSA-N 1 3 302.418 2.341 20 0 DEADHO CCCn1nc(C)c(CN2CCC3(CO[C@H](C[NH3+])C3)CC2)c1C ZINC000904392606 643652611 /nfs/dbraw/zinc/65/26/11/643652611.db2.gz VBLJGANYLLLJKX-INIZCTEOSA-N 1 3 320.481 2.240 20 0 DEADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)CC2(O)CCCCC2)CC1 ZINC000905054182 643772989 /nfs/dbraw/zinc/77/29/89/643772989.db2.gz FSBXQRHXNJZNPH-INIZCTEOSA-N 1 3 312.498 2.285 20 0 DEADHO Cc1cccc([C@@H](O)CNCCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000905235240 643845726 /nfs/dbraw/zinc/84/57/26/643845726.db2.gz XVGUXBMFIPESTL-WMZOPIPTSA-N 1 3 306.450 2.119 20 0 DEADHO Cc1cccc([C@@H](O)CNCCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000905235240 643845728 /nfs/dbraw/zinc/84/57/28/643845728.db2.gz XVGUXBMFIPESTL-WMZOPIPTSA-N 1 3 306.450 2.119 20 0 DEADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC[C@](C)(O)C(F)F ZINC000905400285 643894705 /nfs/dbraw/zinc/89/47/05/643894705.db2.gz QHKCKPMAZVJMFA-UNEWFSDZSA-N 1 3 312.404 2.360 20 0 DEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC[C@](C)(O)C(F)F ZINC000905400285 643894708 /nfs/dbraw/zinc/89/47/08/643894708.db2.gz QHKCKPMAZVJMFA-UNEWFSDZSA-N 1 3 312.404 2.360 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C[C@](C)(O)C(F)F ZINC000905400285 643894711 /nfs/dbraw/zinc/89/47/11/643894711.db2.gz QHKCKPMAZVJMFA-UNEWFSDZSA-N 1 3 312.404 2.360 20 0 DEADHO C[C@H](O)c1ncc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000843126058 650901054 /nfs/dbraw/zinc/90/10/54/650901054.db2.gz FOHQAKTUHSIVPK-MELADBBJSA-N 1 3 309.479 2.408 20 0 DEADHO Cc1nn(C)c(CNCCCCCC[NH3+])c1Br ZINC000843129204 650902245 /nfs/dbraw/zinc/90/22/45/650902245.db2.gz NOZARXFUGXEEEQ-UHFFFAOYSA-N 1 3 303.248 2.100 20 0 DEADHO CC[NH+](CC)CCCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000907308453 644495385 /nfs/dbraw/zinc/49/53/85/644495385.db2.gz YAHHZBWVZRFXOZ-UHFFFAOYSA-N 1 3 306.454 2.313 20 0 DEADHO [NH3+]CCCCCCN[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000843340844 650952182 /nfs/dbraw/zinc/95/21/82/650952182.db2.gz FYHSQUSDAAVAEZ-CQSZACIVSA-N 1 3 314.426 2.153 20 0 DEADHO C[C@@H]1CN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCN(C2CCC2)C1 ZINC000908356827 644844168 /nfs/dbraw/zinc/84/41/68/644844168.db2.gz BQXZXWWDZIWNLE-RYQLBKOJSA-N 1 3 319.493 2.336 20 0 DEADHO C[C@@H]1CN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CCN(C2CCC2)C1 ZINC000908356827 644844172 /nfs/dbraw/zinc/84/41/72/644844172.db2.gz BQXZXWWDZIWNLE-RYQLBKOJSA-N 1 3 319.493 2.336 20 0 DEADHO CCCCCCNC(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843387215 650963301 /nfs/dbraw/zinc/96/33/01/650963301.db2.gz PHPIZOXAPOKAJV-DLBZAZTESA-N 1 3 309.498 2.395 20 0 DEADHO CC(C)C[C@@H]([NH3+])CC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000911636441 645758863 /nfs/dbraw/zinc/75/88/63/645758863.db2.gz PNUOBJCHCAUFIF-GOSISDBHSA-N 1 3 317.477 2.484 20 0 DEADHO N[C@@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)C1CCCCCC1 ZINC000911842392 645847124 /nfs/dbraw/zinc/84/71/24/645847124.db2.gz VEZXLUPSFATKMJ-QGZVFWFLSA-N 1 3 307.482 2.275 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000912524870 646097222 /nfs/dbraw/zinc/09/72/22/646097222.db2.gz XXGRBWWQKFMXFC-BBWFWOEESA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000912524870 646097228 /nfs/dbraw/zinc/09/72/28/646097228.db2.gz XXGRBWWQKFMXFC-BBWFWOEESA-N 1 3 307.482 2.240 20 0 DEADHO C[N@H+](C[C@@H](O)CN[C@H](c1ccccc1)C1CCOCC1)C1CC1 ZINC000809972676 646306753 /nfs/dbraw/zinc/30/67/53/646306753.db2.gz LNDWKFZLXAEVFQ-RBUKOAKNSA-N 1 3 318.461 2.199 20 0 DEADHO C[N@@H+](C[C@@H](O)CN[C@H](c1ccccc1)C1CCOCC1)C1CC1 ZINC000809972676 646306756 /nfs/dbraw/zinc/30/67/56/646306756.db2.gz LNDWKFZLXAEVFQ-RBUKOAKNSA-N 1 3 318.461 2.199 20 0 DEADHO C[C@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)N1CCCCC1 ZINC000810182047 646335925 /nfs/dbraw/zinc/33/59/25/646335925.db2.gz KJVPKBSAVFDOJR-RHSMWYFYSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)N1CCCCC1 ZINC000810182047 646335930 /nfs/dbraw/zinc/33/59/30/646335930.db2.gz KJVPKBSAVFDOJR-RHSMWYFYSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)[NH2+][C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810281567 646347421 /nfs/dbraw/zinc/34/74/21/646347421.db2.gz BIJSVNIGHZJDKQ-WMLDXEAASA-N 1 3 313.461 2.188 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001388704518 1155071138 /nfs/dbraw/zinc/07/11/38/1155071138.db2.gz UGRWOVITTSQJIA-GJMZLZBNSA-N 1 3 313.873 2.098 20 0 DEADHO CC(C)N1CCC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000813520269 646781879 /nfs/dbraw/zinc/78/18/79/646781879.db2.gz FNFMVNBYJVKKOV-YOEHRIQHSA-N 1 3 313.461 2.188 20 0 DEADHO CC(C)N1CCC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000813520269 646781880 /nfs/dbraw/zinc/78/18/80/646781880.db2.gz FNFMVNBYJVKKOV-YOEHRIQHSA-N 1 3 313.461 2.188 20 0 DEADHO CC(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]21 ZINC000992709165 647191385 /nfs/dbraw/zinc/19/13/85/647191385.db2.gz HPZUAOIZBGNLMQ-YESZJQIVSA-N 1 3 321.509 2.343 20 0 DEADHO CCN1CCC[C@H](NC(=O)NC2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000914316314 647261191 /nfs/dbraw/zinc/26/11/91/647261191.db2.gz PPUCLZQFUHNLQA-PQUAAJSLSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H]1CCNC[C@@H]1[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC000817889193 647372027 /nfs/dbraw/zinc/37/20/27/647372027.db2.gz NTXSEPIEOZPABD-SWHYSGLUSA-N 1 3 302.340 2.326 20 0 DEADHO COc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1 ZINC000817901486 647377170 /nfs/dbraw/zinc/37/71/70/647377170.db2.gz VYHFGWONRSCZFW-KPZWWZAWSA-N 1 3 315.417 2.242 20 0 DEADHO O[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccco1 ZINC000817913884 647380212 /nfs/dbraw/zinc/38/02/12/647380212.db2.gz PHNWMFXKOATLBB-HDMKZQKVSA-N 1 3 314.385 2.159 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@](C)(O)c1ccsc1 ZINC000817912886 647380343 /nfs/dbraw/zinc/38/03/43/647380343.db2.gz KFNSICVIVHCJIX-BZNIZROVSA-N 1 3 305.447 2.469 20 0 DEADHO C[C@](O)(CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000817924853 647383455 /nfs/dbraw/zinc/38/34/55/647383455.db2.gz ZKAWBORHYJPPMF-HCXYKTFWSA-N 1 3 318.461 2.031 20 0 DEADHO COc1ccc([C@@H](C)NC2C[NH2+]C2)cc1CN1CCCCC1 ZINC000817955922 647392912 /nfs/dbraw/zinc/39/29/12/647392912.db2.gz LJGDTQJLERYUGO-CQSZACIVSA-N 1 3 303.450 2.304 20 0 DEADHO C[C@H](Cc1ccco1)NC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000818954274 647548644 /nfs/dbraw/zinc/54/86/44/647548644.db2.gz UZAPZLOKGXLADO-NVXWUHKLSA-N 1 3 302.418 2.293 20 0 DEADHO C[C@H](Cc1ccco1)NC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000818954274 647548647 /nfs/dbraw/zinc/54/86/47/647548647.db2.gz UZAPZLOKGXLADO-NVXWUHKLSA-N 1 3 302.418 2.293 20 0 DEADHO CC(C)=CCN1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994252649 647857378 /nfs/dbraw/zinc/85/73/78/647857378.db2.gz MKAPIBKOKWMYKE-JKSUJKDBSA-N 1 3 305.466 2.018 20 0 DEADHO OC[C@H](CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)Cc1ccco1 ZINC000925477452 648204512 /nfs/dbraw/zinc/20/45/12/648204512.db2.gz QYAZXOCFRZKSNQ-JCGIZDLHSA-N 1 3 306.450 2.189 20 0 DEADHO OC[C@H](C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1)Cc1ccco1 ZINC000925477452 648204513 /nfs/dbraw/zinc/20/45/13/648204513.db2.gz QYAZXOCFRZKSNQ-JCGIZDLHSA-N 1 3 306.450 2.189 20 0 DEADHO Cc1cc(C)nc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000930134683 648242839 /nfs/dbraw/zinc/24/28/39/648242839.db2.gz ADHZIHHPYISPQL-VQIMIIECSA-N 1 3 316.493 2.156 20 0 DEADHO Cc1cc(C)nc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000930134683 648242842 /nfs/dbraw/zinc/24/28/42/648242842.db2.gz ADHZIHHPYISPQL-VQIMIIECSA-N 1 3 316.493 2.156 20 0 DEADHO [NH3+]CCCCCC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000237955164 648449047 /nfs/dbraw/zinc/44/90/47/648449047.db2.gz CRGBGIHCAHVCHS-UHFFFAOYSA-N 1 3 303.450 2.240 20 0 DEADHO C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824585471 648618211 /nfs/dbraw/zinc/61/82/11/648618211.db2.gz QUUIJXBNJZCMHB-ZDUSSCGKSA-N 1 3 314.437 2.249 20 0 DEADHO C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824585471 648618216 /nfs/dbraw/zinc/61/82/16/648618216.db2.gz QUUIJXBNJZCMHB-ZDUSSCGKSA-N 1 3 314.437 2.249 20 0 DEADHO CN(C(=O)[C@H]1CCCN1C)[C@@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000948246600 648846666 /nfs/dbraw/zinc/84/66/66/648846666.db2.gz YTFSNAFVDITSIW-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C(=O)[C@H]1CCCN1C)[C@@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000948246600 648846669 /nfs/dbraw/zinc/84/66/69/648846669.db2.gz YTFSNAFVDITSIW-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC2)CC1(C)C ZINC000940736133 648934924 /nfs/dbraw/zinc/93/49/24/648934924.db2.gz ADEJKLGHAFKTEL-DLBZAZTESA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC1(C)C ZINC000940736133 648934926 /nfs/dbraw/zinc/93/49/26/648934926.db2.gz ADEJKLGHAFKTEL-DLBZAZTESA-N 1 3 321.509 2.486 20 0 DEADHO CCN(CC)[C@H](CNC(=O)C[C@@H]([NH3+])C1CC1)c1ccsc1 ZINC000827024029 648961748 /nfs/dbraw/zinc/96/17/48/648961748.db2.gz PLYGGSBFYZBISE-HUUCEWRRSA-N 1 3 309.479 2.375 20 0 DEADHO C[NH+](C)CC1CCN(C[C@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC000827787057 649085816 /nfs/dbraw/zinc/08/58/16/649085816.db2.gz PHHPOMLKPRYXHK-KRWDZBQOSA-N 1 3 323.481 2.414 20 0 DEADHO CC(C)C1CCC(N2CCN(C(=O)C[C@H]([NH3+])C3CC3)CC2)CC1 ZINC000831138553 649542783 /nfs/dbraw/zinc/54/27/83/649542783.db2.gz ZEIJPWVFVMBVKK-VJFUWPCTSA-N 1 3 321.509 2.473 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N[C@@H](C)CCCC[NH3+])cc(Cl)n1 ZINC000834786494 649845411 /nfs/dbraw/zinc/84/54/11/649845411.db2.gz PBCPQUWGVLYJSU-GXFFZTMASA-N 1 3 312.845 2.067 20 0 DEADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc3nonc3c2)C1 ZINC000846811983 651353850 /nfs/dbraw/zinc/35/38/50/651353850.db2.gz QWGUSWKKZGQCSH-HNNXBMFYSA-N 1 3 318.421 2.156 20 0 DEADHO CC[C@H]1CN(C)CCCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000846988981 651367378 /nfs/dbraw/zinc/36/73/78/651367378.db2.gz OGEIXISSALUWRS-YOEHRIQHSA-N 1 3 313.461 2.142 20 0 DEADHO CC[C@H]1CN(C)CCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000846988981 651367379 /nfs/dbraw/zinc/36/73/79/651367379.db2.gz OGEIXISSALUWRS-YOEHRIQHSA-N 1 3 313.461 2.142 20 0 DEADHO CCCN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1CCN(C)C1 ZINC000848236457 651446079 /nfs/dbraw/zinc/44/60/79/651446079.db2.gz CJIWZLCJYFWTQH-SFHVURJKSA-N 1 3 317.477 2.347 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H](O)c2cccc(Br)c2)C1 ZINC000848719855 651497770 /nfs/dbraw/zinc/49/77/70/651497770.db2.gz FQHRAVNTUHEEJB-MCIONIFRSA-N 1 3 313.239 2.342 20 0 DEADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cc(C)ccc1OC ZINC000848993237 651574285 /nfs/dbraw/zinc/57/42/85/651574285.db2.gz NBSWNARKPLKWSV-HNNXBMFYSA-N 1 3 304.438 2.102 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1cc(C)c(O)c(C)c1 ZINC000849021258 651584818 /nfs/dbraw/zinc/58/48/18/651584818.db2.gz GCJSYPKLBTUAAZ-MRXNPFEDSA-N 1 3 318.465 2.150 20 0 DEADHO C[NH+](C)CCc1ccc(C(=O)NC[C@@H]2CCN2C(C)(C)C)cc1 ZINC000855163108 651637387 /nfs/dbraw/zinc/63/73/87/651637387.db2.gz SMQXMHDDZFFNRF-KRWDZBQOSA-N 1 3 317.477 2.393 20 0 DEADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000855285404 651664762 /nfs/dbraw/zinc/66/47/62/651664762.db2.gz FBOAWBNZTRJKPP-SUMWQHHRSA-N 1 3 313.461 2.188 20 0 DEADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000855285404 651664766 /nfs/dbraw/zinc/66/47/66/651664766.db2.gz FBOAWBNZTRJKPP-SUMWQHHRSA-N 1 3 313.461 2.188 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H](F)c1ccccc1 ZINC000855347241 651679888 /nfs/dbraw/zinc/67/98/88/651679888.db2.gz ZRHMZZGAUZMPNB-GOEBONIOSA-N 1 3 309.429 2.085 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H](F)c1ccccc1 ZINC000855347241 651679892 /nfs/dbraw/zinc/67/98/92/651679892.db2.gz ZRHMZZGAUZMPNB-GOEBONIOSA-N 1 3 309.429 2.085 20 0 DEADHO CC[C@@H](O)C[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856600584 651955440 /nfs/dbraw/zinc/95/54/40/651955440.db2.gz VEJVIGPKBYLXEO-SJLPKXTDSA-N 1 3 321.465 2.146 20 0 DEADHO CC[C@@H](O)C[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856600584 651955444 /nfs/dbraw/zinc/95/54/44/651955444.db2.gz VEJVIGPKBYLXEO-SJLPKXTDSA-N 1 3 321.465 2.146 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000857768273 652174081 /nfs/dbraw/zinc/17/40/81/652174081.db2.gz OELKTFUXHKFHIT-GOSISDBHSA-N 1 3 316.449 2.356 20 0 DEADHO CN1CC[C@@H]([NH2+]Cc2ccccc2N2CCOCC2)CC1(C)C ZINC000858113184 652257286 /nfs/dbraw/zinc/25/72/86/652257286.db2.gz OPLBFICNKMQYSH-QGZVFWFLSA-N 1 3 317.477 2.486 20 0 DEADHO C[C@@H](CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C(C)(C)C ZINC000853744419 652597265 /nfs/dbraw/zinc/59/72/65/652597265.db2.gz MQLSJHXSQYTHFQ-GJZGRUSLSA-N 1 3 314.518 2.240 20 0 DEADHO C[C@@H](CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C(C)(C)C ZINC000853744419 652597268 /nfs/dbraw/zinc/59/72/68/652597268.db2.gz MQLSJHXSQYTHFQ-GJZGRUSLSA-N 1 3 314.518 2.240 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@H](O)c1cccc2ccccc21 ZINC000854221003 652659957 /nfs/dbraw/zinc/65/99/57/652659957.db2.gz DQJQRDIWZAVBEX-ZQEOTTOMSA-N 1 3 314.429 2.215 20 0 DEADHO Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@]12OCCC[C@H]1C2(F)F ZINC000854229382 652661682 /nfs/dbraw/zinc/66/16/82/652661682.db2.gz MQXAGQJBNNVDSW-VQISRLSMSA-N 1 3 311.376 2.314 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1CCC([NH2+]C/C=C/Cl)CC1 ZINC001371072742 1155683145 /nfs/dbraw/zinc/68/31/45/1155683145.db2.gz PMNJVJNLQSCSGO-FARCUNLSSA-N 1 3 310.829 2.030 20 0 DEADHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccsc1 ZINC001371836377 1156037884 /nfs/dbraw/zinc/03/78/84/1156037884.db2.gz NKONBBUIUJSGHV-KGLIPLIRSA-N 1 3 309.479 2.074 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001392618802 1157216145 /nfs/dbraw/zinc/21/61/45/1157216145.db2.gz NFQVMLPIZFRCOP-KBPBESRZSA-N 1 3 319.440 2.246 20 0 DEADHO CN(C)C1(C(=O)N(C)CC[N@H+](C)CCCC2CCC2)CCC1 ZINC001374499104 1157877568 /nfs/dbraw/zinc/87/75/68/1157877568.db2.gz KTYMYFCQCLPHRS-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CN(C)C1(C(=O)N(C)CC[N@@H+](C)CCCC2CCC2)CCC1 ZINC001374499104 1157877569 /nfs/dbraw/zinc/87/75/69/1157877569.db2.gz KTYMYFCQCLPHRS-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1cc(C)sc1C)N(C)C ZINC001374833292 1158047601 /nfs/dbraw/zinc/04/76/01/1158047601.db2.gz DOTNAFUWMSAGPA-IAQYHMDHSA-N 1 3 311.495 2.299 20 0 DEADHO CCOC(=O)NC1CCC([NH2+]C[C@H]2CCCCN(C)C2)CC1 ZINC000858492307 685550686 /nfs/dbraw/zinc/55/06/86/685550686.db2.gz VRIFJJIXGBIDGM-QQFBHYJXSA-N 1 3 311.470 2.365 20 0 DEADHO C[C@H]1[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCN1C ZINC000928440839 693779463 /nfs/dbraw/zinc/77/94/63/693779463.db2.gz LVORDLPDJTVSHK-MAUKXSAKSA-N 1 3 315.461 2.495 20 0 DEADHO CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001054145598 693862607 /nfs/dbraw/zinc/86/26/07/693862607.db2.gz SUURDPAQIJYATM-WMZOPIPTSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001054145598 693862609 /nfs/dbraw/zinc/86/26/09/693862609.db2.gz SUURDPAQIJYATM-WMZOPIPTSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001054150020 693863662 /nfs/dbraw/zinc/86/36/62/693863662.db2.gz SZVVJVSTTFKWGU-WMZOPIPTSA-N 1 3 309.498 2.297 20 0 DEADHO CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001054150020 693863663 /nfs/dbraw/zinc/86/36/63/693863663.db2.gz SZVVJVSTTFKWGU-WMZOPIPTSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1[NH2+]CC1CC1 ZINC001054650294 694014992 /nfs/dbraw/zinc/01/49/92/694014992.db2.gz PXWUFHRMEKWGJU-ZBFHGGJFSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]Cc1ccccc1 ZINC001054734770 694034591 /nfs/dbraw/zinc/03/45/91/694034591.db2.gz GNFUJEBBGIDWGA-DOTOQJQBSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC001054739066 694035944 /nfs/dbraw/zinc/03/59/44/694035944.db2.gz RUWFDCFTCGTYIM-PBHICJAKSA-N 1 3 321.509 2.343 20 0 DEADHO CC(=O)NCCCCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000930059672 694080451 /nfs/dbraw/zinc/08/04/51/694080451.db2.gz BLKBNDWICKHPJK-AEFFLSMTSA-N 1 3 307.482 2.242 20 0 DEADHO CC(=O)NCCCCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000930059672 694080457 /nfs/dbraw/zinc/08/04/57/694080457.db2.gz BLKBNDWICKHPJK-AEFFLSMTSA-N 1 3 307.482 2.242 20 0 DEADHO CCN1CCN(CCC[NH2+]Cc2cc(F)ccc2N(C)C)CC1 ZINC000865411902 687202626 /nfs/dbraw/zinc/20/26/26/687202626.db2.gz FONGXJXIUCZUKN-UHFFFAOYSA-N 1 3 322.472 2.009 20 0 DEADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H]1CCCC2(CCC2)O1 ZINC000930114886 694094114 /nfs/dbraw/zinc/09/41/14/694094114.db2.gz UTRCEUFDBFNLDQ-GOSISDBHSA-N 1 3 323.525 2.436 20 0 DEADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H]1CCCC2(CCC2)O1 ZINC000930114886 694094119 /nfs/dbraw/zinc/09/41/19/694094119.db2.gz UTRCEUFDBFNLDQ-GOSISDBHSA-N 1 3 323.525 2.436 20 0 DEADHO C[C@@H](C[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)CN(C)C ZINC000865577852 687265529 /nfs/dbraw/zinc/26/55/29/687265529.db2.gz PUPYLEACOBPCDV-HNNXBMFYSA-N 1 3 303.450 2.210 20 0 DEADHO CN(CCCNCc1c(Cl)cncc1Cl)CC[NH+](C)C ZINC000865637682 687286727 /nfs/dbraw/zinc/28/67/27/687286727.db2.gz GOJJIKZMCAQQHH-UHFFFAOYSA-N 1 3 319.280 2.362 20 0 DEADHO CC1(C)[C@@H]([NH3+])c2ccccc2N1C(=O)C1(N)Cc2ccccc2C1 ZINC000867986244 687861612 /nfs/dbraw/zinc/86/16/12/687861612.db2.gz AJJHQQGBLPLEEB-KRWDZBQOSA-N 1 3 321.424 2.308 20 0 DEADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H](NCc2ccsc2)C1 ZINC001018989960 688266919 /nfs/dbraw/zinc/26/69/19/688266919.db2.gz AILLEQGQOFMTGZ-JKSUJKDBSA-N 1 3 321.490 2.313 20 0 DEADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H](NCc2ccsc2)C1 ZINC001018989960 688266922 /nfs/dbraw/zinc/26/69/22/688266922.db2.gz AILLEQGQOFMTGZ-JKSUJKDBSA-N 1 3 321.490 2.313 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001019032385 688273425 /nfs/dbraw/zinc/27/34/25/688273425.db2.gz UNFSYPHMJRNYKD-ZWKOTPCHSA-N 1 3 317.477 2.334 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC001019382930 688343503 /nfs/dbraw/zinc/34/35/03/688343503.db2.gz PKHHDDVRMCGKFB-WBVHZDCISA-N 1 3 319.493 2.099 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2)C1)N(C)C ZINC001019395051 688346338 /nfs/dbraw/zinc/34/63/38/688346338.db2.gz YGYPCARPTDJUDW-XIRDDKMYSA-N 1 3 303.450 2.278 20 0 DEADHO CCc1ccccc1C[NH2+][C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001019397388 688347055 /nfs/dbraw/zinc/34/70/55/688347055.db2.gz XPQLTFIEWJUQMY-ROUUACIJSA-N 1 3 317.477 2.280 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCc2ccc(C)cc2)C1)N(C)C ZINC001019397175 688347168 /nfs/dbraw/zinc/34/71/68/688347168.db2.gz MVHAUDCWELHHPV-ROUUACIJSA-N 1 3 317.477 2.068 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CCCC2)C1)N(C)C ZINC001029767337 688574663 /nfs/dbraw/zinc/57/46/63/688574663.db2.gz ONBMYUCREILBCC-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCC2)C1)N(C)C ZINC001029767337 688574667 /nfs/dbraw/zinc/57/46/67/688574667.db2.gz ONBMYUCREILBCC-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO Cc1ccc([C@H](CNC(=O)CC[NH2+]CC2CC2)N(C)C)cc1 ZINC000870874838 688675196 /nfs/dbraw/zinc/67/51/96/688675196.db2.gz NPUGQSGMWRZBOQ-KRWDZBQOSA-N 1 3 303.450 2.104 20 0 DEADHO CN(C(=O)[C@H]1CC[C@@H]([NH3+])CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000870908298 688683468 /nfs/dbraw/zinc/68/34/68/688683468.db2.gz ZSOHSBBKLISRQT-FGTMMUONSA-N 1 3 315.461 2.237 20 0 DEADHO C[C@@H](C(=O)N1CCc2sccc2C1)N(C)CCCCCC[NH3+] ZINC000872154869 688939663 /nfs/dbraw/zinc/93/96/63/688939663.db2.gz CUCRTHSHBXAOMX-AWEZNQCLSA-N 1 3 323.506 2.472 20 0 DEADHO C[C@H](C(=O)N(C)Cc1ccccc1)N(C)CCCCCC[NH3+] ZINC000872155690 688940284 /nfs/dbraw/zinc/94/02/84/688940284.db2.gz YNYLVQWUFNNZON-MRXNPFEDSA-N 1 3 305.466 2.484 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCC1C[NH+](CCC(C)(C)C)C1 ZINC001031666240 688976572 /nfs/dbraw/zinc/97/65/72/688976572.db2.gz LPSVVHLBKKQUDI-MRXNPFEDSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@](O)(CN1CCCN(c2cc[nH+]cc2)CC1)C(F)(F)F ZINC000930804782 694246638 /nfs/dbraw/zinc/24/66/38/694246638.db2.gz AKRUVELPEVTATH-CQSZACIVSA-N 1 3 317.355 2.297 20 0 DEADHO CN1CCC[C@@H](NC(=O)N2CCC(C)([NH+]3CCCCC3)CC2)C1 ZINC000872926246 689121240 /nfs/dbraw/zinc/12/12/40/689121240.db2.gz CRRNVOWPOQUFRE-MRXNPFEDSA-N 1 3 322.497 2.131 20 0 DEADHO c1c(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)sc2c1CNCC2 ZINC000873210963 689184625 /nfs/dbraw/zinc/18/46/25/689184625.db2.gz FOMKKZGCSAOGGE-IMJJTQAJSA-N 1 3 304.459 2.441 20 0 DEADHO c1c(C[NH2+]CCCOC[C@H]2CCCO2)sc2c1CNCC2 ZINC000873212701 689185295 /nfs/dbraw/zinc/18/52/95/689185295.db2.gz PZSRYZYEZXESQA-CQSZACIVSA-N 1 3 310.463 2.069 20 0 DEADHO CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCCC1)[NH+]1CCCC1 ZINC001032557926 689185732 /nfs/dbraw/zinc/18/57/32/689185732.db2.gz XEUVBCVVXRPRTP-IRXDYDNUSA-N 1 3 319.493 2.336 20 0 DEADHO COc1cccc2c1OC[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)C2 ZINC000873241097 689192113 /nfs/dbraw/zinc/19/21/13/689192113.db2.gz BWZKXYYDJXBMGB-HUUCEWRRSA-N 1 3 304.434 2.367 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@@H]1N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000873251338 689194433 /nfs/dbraw/zinc/19/44/33/689194433.db2.gz WAYAXTMESUXAEW-SRABZTEZSA-N 1 3 322.474 2.098 20 0 DEADHO NC[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000873251338 689194435 /nfs/dbraw/zinc/19/44/35/689194435.db2.gz WAYAXTMESUXAEW-SRABZTEZSA-N 1 3 322.474 2.098 20 0 DEADHO c1ccc(NC2CC(N[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000873295343 689204258 /nfs/dbraw/zinc/20/42/58/689204258.db2.gz GEVIYCPLDJRVAK-QCRHNUIXSA-N 1 3 315.461 2.376 20 0 DEADHO c1ccc(NC2CC(N[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000873295341 689204280 /nfs/dbraw/zinc/20/42/80/689204280.db2.gz GEVIYCPLDJRVAK-CPLYBDICSA-N 1 3 315.461 2.376 20 0 DEADHO CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001032724983 689238330 /nfs/dbraw/zinc/23/83/30/689238330.db2.gz KGLKBSSIOBYRFM-ROUUACIJSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001032803780 689266181 /nfs/dbraw/zinc/26/61/81/689266181.db2.gz LJAMPXGOXMJXCG-OKZBNKHCSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)=CCN1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033069047 689375333 /nfs/dbraw/zinc/37/53/33/689375333.db2.gz GNVKTBZRBXKUEV-DLBZAZTESA-N 1 3 307.482 2.358 20 0 DEADHO CC(C)=CCN1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033069047 689375335 /nfs/dbraw/zinc/37/53/35/689375335.db2.gz GNVKTBZRBXKUEV-DLBZAZTESA-N 1 3 307.482 2.358 20 0 DEADHO CCC[C@@H](CC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000874256902 689378583 /nfs/dbraw/zinc/37/85/83/689378583.db2.gz NTTXYSNVKBFVGV-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033681422 689582290 /nfs/dbraw/zinc/58/22/90/689582290.db2.gz SQZUBKAFDLAHEQ-INIZCTEOSA-N 1 3 303.450 2.305 20 0 DEADHO CCC[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033681422 689582292 /nfs/dbraw/zinc/58/22/92/689582292.db2.gz SQZUBKAFDLAHEQ-INIZCTEOSA-N 1 3 303.450 2.305 20 0 DEADHO CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001034329250 689811438 /nfs/dbraw/zinc/81/14/38/689811438.db2.gz GGMIWDVAWJQHGD-SJORKVTESA-N 1 3 307.482 2.242 20 0 DEADHO CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001034329250 689811440 /nfs/dbraw/zinc/81/14/40/689811440.db2.gz GGMIWDVAWJQHGD-SJORKVTESA-N 1 3 307.482 2.242 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876728665 689918255 /nfs/dbraw/zinc/91/82/55/689918255.db2.gz RVOXYGVIHSQGOH-SWLSCSKDSA-N 1 3 305.422 2.069 20 0 DEADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000876764105 689929155 /nfs/dbraw/zinc/92/91/55/689929155.db2.gz KXUNRSMVIAOQST-LURQOPKSSA-N 1 3 319.493 2.121 20 0 DEADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cc(CN(C)C)ccc1C ZINC000876774188 689933668 /nfs/dbraw/zinc/93/36/68/689933668.db2.gz OBEVPWMYXGYOJC-DOOVEFGSSA-N 1 3 301.434 2.407 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]CCC3CC3)CC2)C1 ZINC001034734704 689936558 /nfs/dbraw/zinc/93/65/58/689936558.db2.gz VUJFQUWZPIJKNN-XIRDDKMYSA-N 1 3 307.482 2.145 20 0 DEADHO CC1CC(C[NH2+]C[C@H]2CCCN2C(=O)C2(N(C)C)CCC2)C1 ZINC001034957185 689999077 /nfs/dbraw/zinc/99/90/77/689999077.db2.gz LXFBZMRHOBYLEZ-UYSNPLJNSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(C)c1)N(C)C ZINC001034975326 690003050 /nfs/dbraw/zinc/00/30/50/690003050.db2.gz QYBHGQDGLCZOCQ-QZTJIDSGSA-N 1 3 317.477 2.416 20 0 DEADHO O=C(CCCC[NH+]1CCCC1)Nc1ccc2c(c1)OCCNC2 ZINC000877053954 690008323 /nfs/dbraw/zinc/00/83/23/690008323.db2.gz BVARAFYEJDJTFZ-UHFFFAOYSA-N 1 3 317.433 2.373 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001035050401 690021439 /nfs/dbraw/zinc/02/14/39/690021439.db2.gz ZYSFSYQMSQOWGM-NVXWUHKLSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001035052636 690021721 /nfs/dbraw/zinc/02/17/21/690021721.db2.gz SQPWMRGVJTWDEC-SJORKVTESA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1)N(C)C ZINC001035051942 690022055 /nfs/dbraw/zinc/02/20/55/690022055.db2.gz AQCNIIHWIFHSDY-SJORKVTESA-N 1 3 303.450 2.107 20 0 DEADHO CC(C)[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)CC1)CC2 ZINC001035238522 690069557 /nfs/dbraw/zinc/06/95/57/690069557.db2.gz CDPLJDBRKUTDRP-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)CC1)CC2 ZINC001035238522 690069560 /nfs/dbraw/zinc/06/95/60/690069560.db2.gz CDPLJDBRKUTDRP-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001035255041 690075289 /nfs/dbraw/zinc/07/52/89/690075289.db2.gz YQDCXSGQRDENOF-KRWDZBQOSA-N 1 3 321.509 2.443 20 0 DEADHO CC[C@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001035255041 690075294 /nfs/dbraw/zinc/07/52/94/690075294.db2.gz YQDCXSGQRDENOF-KRWDZBQOSA-N 1 3 321.509 2.443 20 0 DEADHO N[C@@H](C(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1)C1CCC1 ZINC000877445607 690115230 /nfs/dbraw/zinc/11/52/30/690115230.db2.gz RBHOHWMOXJSONL-IAOVAPTHSA-N 1 3 307.482 2.260 20 0 DEADHO CN1CC[NH+](CC2CCN(C[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000877524796 690140644 /nfs/dbraw/zinc/14/06/44/690140644.db2.gz GMVQJLABSUAUNN-AWEZNQCLSA-N 1 3 320.308 2.140 20 0 DEADHO CC(C)[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001036464018 690356218 /nfs/dbraw/zinc/35/62/18/690356218.db2.gz IYYQCJBIDXFEAJ-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000878344941 690384239 /nfs/dbraw/zinc/38/42/39/690384239.db2.gz ITJIYENTJNHGIN-QGZVFWFLSA-N 1 3 303.450 2.246 20 0 DEADHO C[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)[C@H]1C[NH2+]CC1CC1 ZINC001036577934 690389679 /nfs/dbraw/zinc/38/96/79/690389679.db2.gz PFPOHHPSPQSCFS-WBVHZDCISA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@@H]21 ZINC001036736415 690452353 /nfs/dbraw/zinc/45/23/53/690452353.db2.gz ZPDOWQWQQRKOIR-CVEARBPZSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@@H]21 ZINC001036736415 690452356 /nfs/dbraw/zinc/45/23/56/690452356.db2.gz ZPDOWQWQQRKOIR-CVEARBPZSA-N 1 3 307.482 2.050 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CCC3CC3)C2)CCC1 ZINC001036736143 690452658 /nfs/dbraw/zinc/45/26/58/690452658.db2.gz VUVCENASIADMEZ-DLBZAZTESA-N 1 3 319.493 2.194 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CCC3CC3)C2)CCC1 ZINC001036736143 690452662 /nfs/dbraw/zinc/45/26/62/690452662.db2.gz VUVCENASIADMEZ-DLBZAZTESA-N 1 3 319.493 2.194 20 0 DEADHO C[C@H]1C[C@@H](c2ccccc2)N(CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878611961 690454847 /nfs/dbraw/zinc/45/48/47/690454847.db2.gz DVLQBOAKAKRHCZ-YJBOKZPZSA-N 1 3 315.461 2.280 20 0 DEADHO CC1(C)OC[C@H](CC[N@@H+]2CCCN(c3ccncc3)CC2)O1 ZINC000878748486 690490875 /nfs/dbraw/zinc/49/08/75/690490875.db2.gz VVCNNRMXYLVQSD-INIZCTEOSA-N 1 3 305.422 2.135 20 0 DEADHO CC1(C)OC[C@H](CC[N@H+]2CCCN(c3ccncc3)CC2)O1 ZINC000878748486 690490878 /nfs/dbraw/zinc/49/08/78/690490878.db2.gz VVCNNRMXYLVQSD-INIZCTEOSA-N 1 3 305.422 2.135 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@H]21 ZINC001036853538 690499830 /nfs/dbraw/zinc/49/98/30/690499830.db2.gz WAINJLIXUKHLDY-ZWKOTPCHSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@H]21 ZINC001036853538 690499832 /nfs/dbraw/zinc/49/98/32/690499832.db2.gz WAINJLIXUKHLDY-ZWKOTPCHSA-N 1 3 321.509 2.297 20 0 DEADHO C[NH+]1CCC2(CCN(C[C@H](O)c3cc(F)ccc3F)C2)CC1 ZINC000878864446 690516529 /nfs/dbraw/zinc/51/65/29/690516529.db2.gz BZAKBEOBARQPPT-INIZCTEOSA-N 1 3 310.388 2.416 20 0 DEADHO O=C(NC[C@H]1CCN1CCC1CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001038348133 690790223 /nfs/dbraw/zinc/79/02/23/690790223.db2.gz AKSQLTAJPAPXEF-MSOLQXFVSA-N 1 3 319.493 2.384 20 0 DEADHO O=C(NC[C@H]1CCN1CCC1CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001038348133 690790227 /nfs/dbraw/zinc/79/02/27/690790227.db2.gz AKSQLTAJPAPXEF-MSOLQXFVSA-N 1 3 319.493 2.384 20 0 DEADHO CCCCN1CC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038556865 690857132 /nfs/dbraw/zinc/85/71/32/690857132.db2.gz SOLJYKZDIIBMDO-QGZVFWFLSA-N 1 3 317.477 2.395 20 0 DEADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCN2CCC2CCCCC2)CC1 ZINC001038663993 690890036 /nfs/dbraw/zinc/89/00/36/690890036.db2.gz RSGKFGTXJWLXCB-SFHVURJKSA-N 1 3 321.509 2.489 20 0 DEADHO CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001039113339 691022177 /nfs/dbraw/zinc/02/21/77/691022177.db2.gz LQLIJIJSGHTLLO-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001039113339 691022180 /nfs/dbraw/zinc/02/21/80/691022180.db2.gz LQLIJIJSGHTLLO-ROUUACIJSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)N1CCC([C@H]2CC[N@@H+](C(C)C)C2)CC1)N(C)C ZINC001039159390 691035054 /nfs/dbraw/zinc/03/50/54/691035054.db2.gz MEXNCQICBYBMSJ-IRXDYDNUSA-N 1 3 309.498 2.296 20 0 DEADHO CC[C@@H](C(=O)N1CCC([C@H]2CC[N@H+](C(C)C)C2)CC1)N(C)C ZINC001039159390 691035057 /nfs/dbraw/zinc/03/50/57/691035057.db2.gz MEXNCQICBYBMSJ-IRXDYDNUSA-N 1 3 309.498 2.296 20 0 DEADHO CC[C@@H](C(=O)N1CCC([NH+](CC2CC2)CC2CC2)CC1)N(C)C ZINC001039489005 691117583 /nfs/dbraw/zinc/11/75/83/691117583.db2.gz JBSIZDAQUDCWAJ-SFHVURJKSA-N 1 3 321.509 2.440 20 0 DEADHO CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001040396511 691242760 /nfs/dbraw/zinc/24/27/60/691242760.db2.gz UPYLOHDSXLMNCB-PKOBYXMFSA-N 1 3 321.509 2.443 20 0 DEADHO CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001040396511 691242761 /nfs/dbraw/zinc/24/27/61/691242761.db2.gz UPYLOHDSXLMNCB-PKOBYXMFSA-N 1 3 321.509 2.443 20 0 DEADHO CC(C)[NH+]1CCC2(CCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001040730187 691283002 /nfs/dbraw/zinc/28/30/02/691283002.db2.gz SKNYIKMEUQPVNU-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041356467 691367298 /nfs/dbraw/zinc/36/72/98/691367298.db2.gz YEHITWLWKSOOCF-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C)C[N@H+]1CC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041356467 691367299 /nfs/dbraw/zinc/36/72/99/691367299.db2.gz YEHITWLWKSOOCF-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@]2(CC[N@H+](CC3CCC3)C2)C1)C1CC1 ZINC001041357711 691367423 /nfs/dbraw/zinc/36/74/23/691367423.db2.gz IMHCDEAKKNVPHG-HKUYNNGSSA-N 1 3 319.493 2.051 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CC3CCC3)C2)C1)C1CC1 ZINC001041357711 691367426 /nfs/dbraw/zinc/36/74/26/691367426.db2.gz IMHCDEAKKNVPHG-HKUYNNGSSA-N 1 3 319.493 2.051 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001041674117 691408363 /nfs/dbraw/zinc/40/83/63/691408363.db2.gz IEFUPKJGUYNIGL-HKUYNNGSSA-N 1 3 319.493 2.361 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001041674117 691408365 /nfs/dbraw/zinc/40/83/65/691408365.db2.gz IEFUPKJGUYNIGL-HKUYNNGSSA-N 1 3 319.493 2.361 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001041846025 691444553 /nfs/dbraw/zinc/44/45/53/691444553.db2.gz VDIIOECIVIZEAE-WMZOPIPTSA-N 1 3 307.482 2.194 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](C(C)C)C2)C1 ZINC001041846025 691444555 /nfs/dbraw/zinc/44/45/55/691444555.db2.gz VDIIOECIVIZEAE-WMZOPIPTSA-N 1 3 307.482 2.194 20 0 DEADHO COC[C@H](NC[C@H]1CCC[N@H+](CC(C)C)C1)[C@H]1CCCOC1 ZINC000883207381 691457113 /nfs/dbraw/zinc/45/71/13/691457113.db2.gz LVEFBCJJOKKITM-SQNIBIBYSA-N 1 3 312.498 2.386 20 0 DEADHO COC[C@H](NC[C@H]1CCC[N@@H+](CC(C)C)C1)[C@H]1CCCOC1 ZINC000883207381 691457115 /nfs/dbraw/zinc/45/71/15/691457115.db2.gz LVEFBCJJOKKITM-SQNIBIBYSA-N 1 3 312.498 2.386 20 0 DEADHO COC[C@H]([NH2+]C[C@H]1CCCN(CC(C)C)C1)[C@H]1CCCOC1 ZINC000883207381 691457117 /nfs/dbraw/zinc/45/71/17/691457117.db2.gz LVEFBCJJOKKITM-SQNIBIBYSA-N 1 3 312.498 2.386 20 0 DEADHO COC(=O)c1ccc(OC)c(CN2CCC3(CC[NH2+]C3)CC2)c1 ZINC000883427937 691506929 /nfs/dbraw/zinc/50/69/29/691506929.db2.gz HGQYPNGQIPNMKB-UHFFFAOYSA-N 1 3 318.417 2.057 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000883770503 691583542 /nfs/dbraw/zinc/58/35/42/691583542.db2.gz RYQSQFBQHQPONZ-LUKYLMHMSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000883770503 691583543 /nfs/dbraw/zinc/58/35/43/691583543.db2.gz RYQSQFBQHQPONZ-LUKYLMHMSA-N 1 3 324.513 2.136 20 0 DEADHO CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000884178516 691674953 /nfs/dbraw/zinc/67/49/53/691674953.db2.gz NJHOQASFQRZOBK-KGLIPLIRSA-N 1 3 321.490 2.247 20 0 DEADHO CC[C@@H](CNC(=O)[C@@H]([NH3+])CC1CC1)N1CCc2ccccc2C1 ZINC000884188904 691677495 /nfs/dbraw/zinc/67/74/95/691677495.db2.gz RSUACOUYMBGYIV-ROUUACIJSA-N 1 3 315.461 2.067 20 0 DEADHO CC[C@@H](CNC(=O)[C@H]([NH3+])CC1CC1)N1CCc2ccccc2C1 ZINC000884188905 691677505 /nfs/dbraw/zinc/67/75/05/691677505.db2.gz RSUACOUYMBGYIV-ZWKOTPCHSA-N 1 3 315.461 2.067 20 0 DEADHO N[C@@H](CC1CC1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000884186948 691677683 /nfs/dbraw/zinc/67/76/83/691677683.db2.gz PFEDWZYHPGTJSK-KRWDZBQOSA-N 1 3 301.434 2.026 20 0 DEADHO N[C@H](CC1CC1)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000884210624 691683683 /nfs/dbraw/zinc/68/36/83/691683683.db2.gz FYZAHHBYISPWJJ-IAGOWNOFSA-N 1 3 307.482 2.228 20 0 DEADHO CC[C@H](C)C[NH+]1CC(N(C)C(=O)c2ccn3cncc3c2)C1 ZINC001043232574 691690491 /nfs/dbraw/zinc/69/04/91/691690491.db2.gz LNJFRAHKUMZBCX-ZDUSSCGKSA-N 1 3 300.406 2.137 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC2CCC2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001044744315 691881216 /nfs/dbraw/zinc/88/12/16/691881216.db2.gz OFZSKKDPJUCPTC-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044749695 691881931 /nfs/dbraw/zinc/88/19/31/691881931.db2.gz KQLNKDOLHPCPAA-HOCLYGCPSA-N 1 3 316.449 2.422 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccsc2)CCN1C(=O)CN1CCCC1 ZINC001044858500 691898301 /nfs/dbraw/zinc/89/83/01/691898301.db2.gz SNOUUKCPJKRUAX-ZBFHGGJFSA-N 1 3 321.490 2.313 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]1C[NH2+]CC1CCCC1 ZINC001045200481 691951549 /nfs/dbraw/zinc/95/15/49/691951549.db2.gz ZYSFSYQMSQOWGM-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO C([C@H]1CCC2(CCOCC2)O1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886876178 692218698 /nfs/dbraw/zinc/21/86/98/692218698.db2.gz SLNOXLXRUYIPKY-SJORKVTESA-N 1 3 308.466 2.180 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N(CCN(C)C)c2ccccc2)CC[N@@H+]1C ZINC000888575054 692540125 /nfs/dbraw/zinc/54/01/25/692540125.db2.gz AENGMBAHQMVWRT-HOTGVXAUSA-N 1 3 303.450 2.312 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N(CCN(C)C)c2ccccc2)CC[N@H+]1C ZINC000888575054 692540127 /nfs/dbraw/zinc/54/01/27/692540127.db2.gz AENGMBAHQMVWRT-HOTGVXAUSA-N 1 3 303.450 2.312 20 0 DEADHO CC(C)[NH2+]C[C@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC001048481615 692627578 /nfs/dbraw/zinc/62/75/78/692627578.db2.gz ZWYIRBYWNPTABZ-RDJZCZTQSA-N 1 3 317.477 2.454 20 0 DEADHO CCC(CC)C[N@H+]1C[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049059092 692754049 /nfs/dbraw/zinc/75/40/49/692754049.db2.gz NHKOXIWGUAVCBO-NXHRZFHOSA-N 1 3 321.509 2.155 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049059092 692754054 /nfs/dbraw/zinc/75/40/54/692754054.db2.gz NHKOXIWGUAVCBO-NXHRZFHOSA-N 1 3 321.509 2.155 20 0 DEADHO CC[C@H](C)C[N@H+]1C[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C1 ZINC001049132398 692770515 /nfs/dbraw/zinc/77/05/15/692770515.db2.gz PSZRMEFSKCUSMP-RYQLBKOJSA-N 1 3 321.509 2.155 20 0 DEADHO CC[C@H](C)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C1 ZINC001049132398 692770518 /nfs/dbraw/zinc/77/05/18/692770518.db2.gz PSZRMEFSKCUSMP-RYQLBKOJSA-N 1 3 321.509 2.155 20 0 DEADHO CC[C@H](C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@H]2C1 ZINC001049233714 692796399 /nfs/dbraw/zinc/79/63/99/692796399.db2.gz RCCFLVAAXWHESN-FJIDUMEYSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@H](C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@H]2C1 ZINC001049233714 692796400 /nfs/dbraw/zinc/79/64/00/692796400.db2.gz RCCFLVAAXWHESN-FJIDUMEYSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CC1)N1CCCC1 ZINC001049640217 692949414 /nfs/dbraw/zinc/94/94/14/692949414.db2.gz TZOGVLQYFYOCRI-IRXDYDNUSA-N 1 3 319.493 2.336 20 0 DEADHO CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CC1)N1CCCC1 ZINC001049640217 692949418 /nfs/dbraw/zinc/94/94/18/692949418.db2.gz TZOGVLQYFYOCRI-IRXDYDNUSA-N 1 3 319.493 2.336 20 0 DEADHO CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)N1CCCCCC1 ZINC001049768413 692994020 /nfs/dbraw/zinc/99/40/20/692994020.db2.gz WLAUYRAJTKBPOP-IXDOHACOSA-N 1 3 307.482 2.336 20 0 DEADHO CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)N1CCCCCC1 ZINC001049768413 692994024 /nfs/dbraw/zinc/99/40/24/692994024.db2.gz WLAUYRAJTKBPOP-IXDOHACOSA-N 1 3 307.482 2.336 20 0 DEADHO Cc1cc(C(F)(F)F)nn1CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000903164120 693026678 /nfs/dbraw/zinc/02/66/78/693026678.db2.gz LPQWJBJRNKVVAA-CHWSQXEVSA-N 1 3 316.371 2.427 20 0 DEADHO Cc1cc(C(F)(F)F)nn1CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000903164120 693026682 /nfs/dbraw/zinc/02/66/82/693026682.db2.gz LPQWJBJRNKVVAA-CHWSQXEVSA-N 1 3 316.371 2.427 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC001050047098 693090917 /nfs/dbraw/zinc/09/09/17/693090917.db2.gz RJEYLYHYTAJJQI-OKZBNKHCSA-N 1 3 319.493 2.192 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC001050047098 693090920 /nfs/dbraw/zinc/09/09/20/693090920.db2.gz RJEYLYHYTAJJQI-OKZBNKHCSA-N 1 3 319.493 2.192 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2CC[C@H](C[NH2+]CC3CC3)CC2)C1 ZINC001050367683 693166382 /nfs/dbraw/zinc/16/63/82/693166382.db2.gz OJTSNHLMEIACOC-XIRDDKMYSA-N 1 3 307.482 2.003 20 0 DEADHO CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@H](C)CCN(C)C ZINC000924854007 693193366 /nfs/dbraw/zinc/19/33/66/693193366.db2.gz QZNLGSGYFFMDBX-XNJGSVPQSA-N 1 3 309.429 2.321 20 0 DEADHO CC(C)CCN1CCC([NH2+]CCN2CCOCC2(C)C)CC1 ZINC000924935048 693204347 /nfs/dbraw/zinc/20/43/47/693204347.db2.gz GVZDYUMQQCDPBL-UHFFFAOYSA-N 1 3 311.514 2.197 20 0 DEADHO C([C@H]1CCOC1)N1CCC([NH2+][C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000925096559 693226139 /nfs/dbraw/zinc/22/61/39/693226139.db2.gz ZIODIBOYXXPCHP-NEWSRXKRSA-N 1 3 321.509 2.094 20 0 DEADHO O=C(CCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)N1CCCCC1 ZINC000925472619 693278400 /nfs/dbraw/zinc/27/84/00/693278400.db2.gz DQBHFDAWULQUDG-SJORKVTESA-N 1 3 307.482 2.147 20 0 DEADHO C[C@H](C[NH2+][C@H]1C[C@@H](N)C12CCC2)N1CCc2sccc2C1 ZINC000925494098 693282453 /nfs/dbraw/zinc/28/24/53/693282453.db2.gz SWVUFGXAJAFWGX-WQVCFCJDSA-N 1 3 305.491 2.354 20 0 DEADHO O[C@H](CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)COc1ccccc1 ZINC000925534106 693290653 /nfs/dbraw/zinc/29/06/53/693290653.db2.gz SCHYDYLHEGGSQG-QRQLOZEOSA-N 1 3 318.461 2.184 20 0 DEADHO c1ccc(CN2CCC(N[C@@H]3CC[NH2+]C34CCCC4)CC2)nc1 ZINC000925564666 693298586 /nfs/dbraw/zinc/29/85/86/693298586.db2.gz VEAQOLIAPLKLGQ-GOSISDBHSA-N 1 3 314.477 2.310 20 0 DEADHO COc1cc(OC)cc(OCCCN[C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925579199 693302054 /nfs/dbraw/zinc/30/20/54/693302054.db2.gz CXSWEOPPDMJTDA-IAGOWNOFSA-N 1 3 320.433 2.332 20 0 DEADHO c1ccc(N2CC[C@H](N[C@@H]3CC[NH2+]C[C@H]3C3CCCC3)C2)nc1 ZINC000925607137 693307929 /nfs/dbraw/zinc/30/79/29/693307929.db2.gz ODFYMMZHRGMYJQ-OKZBNKHCSA-N 1 3 314.477 2.418 20 0 DEADHO Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925628278 693311498 /nfs/dbraw/zinc/31/14/98/693311498.db2.gz CPHOVRYRKZNCFC-BBWFWOEESA-N 1 3 304.482 2.336 20 0 DEADHO Cc1nn(C)c(C)c1CCCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925628278 693311504 /nfs/dbraw/zinc/31/15/04/693311504.db2.gz CPHOVRYRKZNCFC-BBWFWOEESA-N 1 3 304.482 2.336 20 0 DEADHO OC[C@H](Cc1ccccc1)N[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925645139 693316250 /nfs/dbraw/zinc/31/62/50/693316250.db2.gz NTUOATOTGPBEFY-GBESFXJTSA-N 1 3 302.462 2.348 20 0 DEADHO C[C@@H]1NCCC[C@@H]1[NH2+]C[C@@H]1CSCCN1Cc1ccccc1 ZINC000925651268 693317601 /nfs/dbraw/zinc/31/76/01/693317601.db2.gz ZHRKURXUCJDMEP-JQHSSLGASA-N 1 3 319.518 2.334 20 0 DEADHO CNC(=O)CC1(C[NH2+][C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CCCCC1 ZINC000925718259 693329121 /nfs/dbraw/zinc/32/91/21/693329121.db2.gz YTDWUYAZVGUFDG-PVAVHDDUSA-N 1 3 321.509 2.439 20 0 DEADHO CC1(C)C[C@@H]([NH3+])C[C@H](NCc2ccc(N3CCNC3=O)cc2)C1 ZINC000925758634 693336905 /nfs/dbraw/zinc/33/69/05/693336905.db2.gz FXIOGCLPTRXRAR-GJZGRUSLSA-N 1 3 316.449 2.212 20 0 DEADHO Cc1ccc([C@@H](CCn2cncn2)NC[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925784697 693341970 /nfs/dbraw/zinc/34/19/70/693341970.db2.gz KGSOWTHPBYWNOU-BPQIPLTHSA-N 1 3 313.449 2.163 20 0 DEADHO C[C@H](NCc1ccc(CN2CC[NH2+]CC2)cc1)c1ccncc1 ZINC000925808905 693345222 /nfs/dbraw/zinc/34/52/22/693345222.db2.gz NCADVGNXAQZVIE-INIZCTEOSA-N 1 3 310.445 2.338 20 0 DEADHO CCC[C@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccn1 ZINC000925859156 693355539 /nfs/dbraw/zinc/35/55/39/693355539.db2.gz WBEXZRXGIYPXJO-GJZGRUSLSA-N 1 3 317.433 2.198 20 0 DEADHO c1cnc2c(c1)CCC[C@H]2N[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000925871885 693357813 /nfs/dbraw/zinc/35/78/13/693357813.db2.gz LDDWNQOWYFFSKQ-HZMVEIRTSA-N 1 3 301.434 2.206 20 0 DEADHO CC(C)CCN1CCC([NH2+]CCCCCS(C)(=O)=O)CC1 ZINC000926212929 693417017 /nfs/dbraw/zinc/41/70/17/693417017.db2.gz LSNNMVHAHRTWMT-UHFFFAOYSA-N 1 3 318.527 2.301 20 0 DEADHO C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1cc([O-])cc(F)c1 ZINC000926687090 693492300 /nfs/dbraw/zinc/49/23/00/693492300.db2.gz UKJACRCOHZUHCT-UONOGXRCSA-N 1 3 311.445 2.454 20 0 DEADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccnnc1 ZINC000926693654 693493659 /nfs/dbraw/zinc/49/36/59/693493659.db2.gz NFGYOVCPTVXSEL-OAHLLOKOSA-N 1 3 311.433 2.434 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H](C[N@H+](C)C/C=C\Cl)C1)N(C)C ZINC001402397063 1162343840 /nfs/dbraw/zinc/34/38/40/1162343840.db2.gz VUSAAWBMFXBSLQ-SKJVMOOOSA-N 1 3 315.889 2.250 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H](C[N@@H+](C)C/C=C\Cl)C1)N(C)C ZINC001402397063 1162343845 /nfs/dbraw/zinc/34/38/45/1162343845.db2.gz VUSAAWBMFXBSLQ-SKJVMOOOSA-N 1 3 315.889 2.250 20 0 DEADHO Cc1cc(NC(=O)CCNC[C@H]2CCC[N@H+](CC3CC3)C2)no1 ZINC001335413960 1150411062 /nfs/dbraw/zinc/41/10/62/1150411062.db2.gz UBJHSUOIURQPJR-OAHLLOKOSA-N 1 3 320.437 2.023 20 0 DEADHO Cc1cc(NC(=O)CCNC[C@H]2CCC[N@@H+](CC3CC3)C2)no1 ZINC001335413960 1150411065 /nfs/dbraw/zinc/41/10/65/1150411065.db2.gz UBJHSUOIURQPJR-OAHLLOKOSA-N 1 3 320.437 2.023 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC001402686112 1162441774 /nfs/dbraw/zinc/44/17/74/1162441774.db2.gz PEFWGZSKKFCZGF-OAHLLOKOSA-N 1 3 323.506 2.417 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC001402686112 1162441779 /nfs/dbraw/zinc/44/17/79/1162441779.db2.gz PEFWGZSKKFCZGF-OAHLLOKOSA-N 1 3 323.506 2.417 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001402781860 1162470306 /nfs/dbraw/zinc/47/03/06/1162470306.db2.gz NQGITYXNPFDVES-BBRMVZONSA-N 1 3 318.465 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001402781860 1162470309 /nfs/dbraw/zinc/47/03/09/1162470309.db2.gz NQGITYXNPFDVES-BBRMVZONSA-N 1 3 318.465 2.277 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C/C=C\Cl ZINC001402841111 1162492859 /nfs/dbraw/zinc/49/28/59/1162492859.db2.gz CUQRAPLJJGJLQE-MYEIUBSTSA-N 1 3 315.889 2.486 20 0 DEADHO CC(C)CCN1CC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001380007781 1152729417 /nfs/dbraw/zinc/72/94/17/1152729417.db2.gz IWMNWTNKFLNLQW-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)N1CCCCCC1 ZINC001380007781 1152729420 /nfs/dbraw/zinc/72/94/20/1152729420.db2.gz IWMNWTNKFLNLQW-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)N1CCCCCC1 ZINC001380007781 1152729423 /nfs/dbraw/zinc/72/94/23/1152729423.db2.gz IWMNWTNKFLNLQW-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO Cc1cc(CNC2(CNC(=O)C3(C[NH+](C)C)CC3)CC2)cs1 ZINC001380130622 1152753774 /nfs/dbraw/zinc/75/37/74/1152753774.db2.gz KHPGRFTYOQFRCZ-UHFFFAOYSA-N 1 3 321.490 2.137 20 0 DEADHO CC(C)C[NH+]1CCC(C2(NC(=O)CN3CC[C@H](C)C3)CC2)CC1 ZINC001380183493 1152763882 /nfs/dbraw/zinc/76/38/82/1152763882.db2.gz JGHFXGQFZSHTBA-INIZCTEOSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H](CC[NH+](C)C)C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC001362072902 1152816497 /nfs/dbraw/zinc/81/64/97/1152816497.db2.gz PFQJETGNXOAYSP-OAHLLOKOSA-N 1 3 321.465 2.290 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cccc(CC[NH+](C)C)c1 ZINC001362124149 1152828986 /nfs/dbraw/zinc/82/89/86/1152828986.db2.gz GMSIQPNVEAMVGF-KDOFPFPSSA-N 1 3 315.461 2.003 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC001362199527 1152848389 /nfs/dbraw/zinc/84/83/89/1152848389.db2.gz JMPRNIBXGOOLGM-OAHLLOKOSA-N 1 3 303.450 2.048 20 0 DEADHO CC[C@H](C(=O)NCc1ccccc1C[N@H+](C)CC1CC1)N(C)C ZINC001380781835 1152856337 /nfs/dbraw/zinc/85/63/37/1152856337.db2.gz UWRCFDQFTQIFIA-GOSISDBHSA-N 1 3 317.477 2.485 20 0 DEADHO CC[C@H](C(=O)NCc1ccccc1C[N@@H+](C)CC1CC1)N(C)C ZINC001380781835 1152856338 /nfs/dbraw/zinc/85/63/38/1152856338.db2.gz UWRCFDQFTQIFIA-GOSISDBHSA-N 1 3 317.477 2.485 20 0 DEADHO CC[C@H](C)C[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001381012114 1152892452 /nfs/dbraw/zinc/89/24/52/1152892452.db2.gz NSQACLCAHAHHFB-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](CNC(=O)CC[NH+](C)C)N(C)[C@@H]1CCc2c1cccc2F ZINC001381572933 1153134767 /nfs/dbraw/zinc/13/47/67/1153134767.db2.gz ZZQPBYLJHQDHIQ-SUMWQHHRSA-N 1 3 321.440 2.201 20 0 DEADHO C[C@@H](C(=O)N(C)[C@@H](C[NH2+]CC1CC1)C1CC1)N1CCCCCC1 ZINC001382035500 1153325983 /nfs/dbraw/zinc/32/59/83/1153325983.db2.gz VBGDKSYWFQNYCB-YJBOKZPZSA-N 1 3 321.509 2.488 20 0 DEADHO C[NH+]1CCC(N2CC[C@@H](NCc3cccc(F)c3F)C2)CC1 ZINC001363362628 1153360067 /nfs/dbraw/zinc/36/00/67/1153360067.db2.gz ZSCQSEMSKNGJSN-CQSZACIVSA-N 1 3 309.404 2.223 20 0 DEADHO C[C@@H]1CCC[C@@]1(O)C[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001363619242 1153494878 /nfs/dbraw/zinc/49/48/78/1153494878.db2.gz NPGNISJJFRFCKC-AQEOSJORSA-N 1 3 310.482 2.161 20 0 DEADHO C[C@H](C(=O)N1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)[C@H]1C)[NH+](C)C ZINC001363768388 1153617550 /nfs/dbraw/zinc/61/75/50/1153617550.db2.gz DAFVACGXLSLXPA-YYIAUSFCSA-N 1 3 317.477 2.446 20 0 DEADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)NC/C=C\Cl ZINC001402972136 1162589417 /nfs/dbraw/zinc/58/94/17/1162589417.db2.gz WMMDFJBMGCEFJZ-YHAOYDPOSA-N 1 3 315.889 2.345 20 0 DEADHO CCc1ccccc1C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001403056152 1162674069 /nfs/dbraw/zinc/67/40/69/1162674069.db2.gz WHIPQODRDSTLIY-CRAIPNDOSA-N 1 3 319.493 2.430 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001388696817 1155068988 /nfs/dbraw/zinc/06/89/88/1155068988.db2.gz GAKKTHGCDNPKNV-GASCZTMLSA-N 1 3 309.479 2.074 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]([NH2+]CC2CCCCC2)C2CC2)C1 ZINC001389675702 1155393727 /nfs/dbraw/zinc/39/37/27/1155393727.db2.gz YMQULAKHEKBXSV-QAPCUYQASA-N 1 3 321.509 2.393 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+]CC2CC(C)C2)C1 ZINC001390114910 1155531442 /nfs/dbraw/zinc/53/14/42/1155531442.db2.gz ROOCSBWFPZEQMU-AQFXKWCLSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@@H]([NH2+][C@@H](C)CNC(=O)CN(C)C1CCC1)c1ccccc1 ZINC001390391428 1155695220 /nfs/dbraw/zinc/69/52/20/1155695220.db2.gz BEFCRXHATWDYRR-LSDHHAIUSA-N 1 3 303.450 2.326 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCCN2C(C)C)cc1 ZINC001371176162 1155761718 /nfs/dbraw/zinc/76/17/18/1155761718.db2.gz IDWZLXZRBAVIOM-AEFFLSMTSA-N 1 3 317.477 2.462 20 0 DEADHO Cc1ccccc1C[NH2+][C@H](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001390708443 1155845325 /nfs/dbraw/zinc/84/53/25/1155845325.db2.gz SZPDAQLPWHPSAK-NVXWUHKLSA-N 1 3 317.477 2.321 20 0 DEADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)NCc1ccsc1 ZINC001371476291 1155858335 /nfs/dbraw/zinc/85/83/35/1155858335.db2.gz TVFIFWIKXGBXHE-CQSZACIVSA-N 1 3 309.479 2.218 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1cccc(F)c1)N(C)C ZINC001371829663 1156035145 /nfs/dbraw/zinc/03/51/45/1156035145.db2.gz UFBPWGBRVZJHHE-WMLDXEAASA-N 1 3 323.456 2.396 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CCC2)C1)N1CCCCC1 ZINC001391593101 1156575666 /nfs/dbraw/zinc/57/56/66/1156575666.db2.gz CQXUPMVVYSWDCB-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCC2)C1)N1CCCCC1 ZINC001391593101 1156575700 /nfs/dbraw/zinc/57/57/00/1156575700.db2.gz CQXUPMVVYSWDCB-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](c1ccccc1F)N1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001372644892 1156631697 /nfs/dbraw/zinc/63/16/97/1156631697.db2.gz DYXHFQMMUQIIQQ-LSDHHAIUSA-N 1 3 321.440 2.277 20 0 DEADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(F)cc1 ZINC001391692202 1156700321 /nfs/dbraw/zinc/70/03/21/1156700321.db2.gz DCYBTAIYQOWUOK-INIZCTEOSA-N 1 3 321.440 2.294 20 0 DEADHO CC[C@H](F)CNCc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001391838835 1156813743 /nfs/dbraw/zinc/81/37/43/1156813743.db2.gz TYTRRONRIVAEOM-IRXDYDNUSA-N 1 3 321.440 2.092 20 0 DEADHO CC[C@H](F)CNCc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001391838835 1156813744 /nfs/dbraw/zinc/81/37/44/1156813744.db2.gz TYTRRONRIVAEOM-IRXDYDNUSA-N 1 3 321.440 2.092 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N[C@@H](C)c2ccccc2F)C1 ZINC001403190693 1162814440 /nfs/dbraw/zinc/81/44/40/1162814440.db2.gz PULBZSNUQRGSPO-GJZGRUSLSA-N 1 3 321.440 2.419 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@@H](C)c2ccccc2F)C1 ZINC001403190693 1162814441 /nfs/dbraw/zinc/81/44/41/1162814441.db2.gz PULBZSNUQRGSPO-GJZGRUSLSA-N 1 3 321.440 2.419 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]C/C(Cl)=C/Cl)C1)N(C)C ZINC001403255020 1162829312 /nfs/dbraw/zinc/82/93/12/1162829312.db2.gz VFXDAERMPYNQJD-IJBAECSFSA-N 1 3 322.280 2.084 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1C[NH+](CC2CCCCC2)C1)N(C)C ZINC001373515685 1157078057 /nfs/dbraw/zinc/07/80/57/1157078057.db2.gz UJXSAGODMOUPPS-KRWDZBQOSA-N 1 3 309.498 2.201 20 0 DEADHO CCc1ccccc1C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001392506421 1157081345 /nfs/dbraw/zinc/08/13/45/1157081345.db2.gz XPHVSKSPDJKNGT-CRAIPNDOSA-N 1 3 319.493 2.430 20 0 DEADHO CC(C)CCC[NH+]1CC([C@H](C)NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001403330151 1162852566 /nfs/dbraw/zinc/85/25/66/1162852566.db2.gz PYGGCDQFZFDLMM-CVEARBPZSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCc1ccccc1F)N(C)C ZINC001392678152 1157327136 /nfs/dbraw/zinc/32/71/36/1157327136.db2.gz OHRGLIBLNPDOKA-WMLDXEAASA-N 1 3 323.456 2.145 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCc1ccccc1F)N(C)C ZINC001392678152 1157327146 /nfs/dbraw/zinc/32/71/46/1157327146.db2.gz OHRGLIBLNPDOKA-WMLDXEAASA-N 1 3 323.456 2.145 20 0 DEADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1cccc(F)c1 ZINC001373761131 1157346408 /nfs/dbraw/zinc/34/64/08/1157346408.db2.gz WLCRAECAIYEZJK-MRXNPFEDSA-N 1 3 321.440 2.294 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CCN1CC1CCC1)[NH+]1CCCC1 ZINC001392881987 1157507248 /nfs/dbraw/zinc/50/72/48/1157507248.db2.gz YUVYVFGSIONVCB-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C)c(C)c1)N(C)C ZINC001374073890 1157598706 /nfs/dbraw/zinc/59/87/06/1157598706.db2.gz IJMLEPLNUTZBAV-KDOFPFPSSA-N 1 3 319.493 2.486 20 0 DEADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001374078813 1157601904 /nfs/dbraw/zinc/60/19/04/1157601904.db2.gz OLMFZNSQYJWJHH-DYVFJYSZSA-N 1 3 323.456 2.316 20 0 DEADHO Cc1cccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001374099970 1157624294 /nfs/dbraw/zinc/62/42/94/1157624294.db2.gz SPZFINOHLMIFAN-AEFFLSMTSA-N 1 3 319.493 2.423 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]C/C=C\Cl ZINC001403439704 1162882910 /nfs/dbraw/zinc/88/29/10/1162882910.db2.gz CUQRAPLJJGJLQE-AJNJCKRNSA-N 1 3 315.889 2.486 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]CC2CC(C)C2)CCCC1)N(C)C ZINC001374163584 1157681120 /nfs/dbraw/zinc/68/11/20/1157681120.db2.gz QEUVBEMEPTUWHQ-UYSNPLJNSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H](C[NH2+]CC1CCCC1)N(C)C(=O)CN1CCC(C)CC1 ZINC001374304596 1157807679 /nfs/dbraw/zinc/80/76/79/1157807679.db2.gz MDNAOMFWJSWXSW-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]([NH2+]CCC(C)(C)C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001393390837 1157818703 /nfs/dbraw/zinc/81/87/03/1157818703.db2.gz LTSWNPKUWPJWBY-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001374379212 1157833120 /nfs/dbraw/zinc/83/31/20/1157833120.db2.gz UWKCRLADIMUGLN-DOTOQJQBSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](F)CN1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001393458457 1157833600 /nfs/dbraw/zinc/83/36/00/1157833600.db2.gz HJXXCJJZFOSCOV-ARFHVFGLSA-N 1 3 313.461 2.142 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CC[NH+](CC1CCC1)CC2 ZINC001393498397 1157843785 /nfs/dbraw/zinc/84/37/85/1157843785.db2.gz BXXDXVSBCCAPQS-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO CC[C@H](F)C[NH2+]C1(CC)CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001393681353 1157902633 /nfs/dbraw/zinc/90/26/33/1157902633.db2.gz SLJZCQDVRYBFGF-GJZGRUSLSA-N 1 3 315.477 2.436 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CC(C)C1 ZINC001393880242 1158040691 /nfs/dbraw/zinc/04/06/91/1158040691.db2.gz BHSNZCPOYWPQIC-JCYILVPMSA-N 1 3 309.498 2.297 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC(C)C1 ZINC001393880242 1158040699 /nfs/dbraw/zinc/04/06/99/1158040699.db2.gz BHSNZCPOYWPQIC-JCYILVPMSA-N 1 3 309.498 2.297 20 0 DEADHO CCc1ccccc1C[NH2+]C[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001374934188 1158099585 /nfs/dbraw/zinc/09/95/85/1158099585.db2.gz VWNLLZQXJXWEJV-HOTGVXAUSA-N 1 3 317.477 2.185 20 0 DEADHO CCc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H](CC)N(C)C)cc1 ZINC001374962824 1158133862 /nfs/dbraw/zinc/13/38/62/1158133862.db2.gz WWAAQDFHHZWRKT-YOEHRIQHSA-N 1 3 305.466 2.184 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1F ZINC001393995419 1158147046 /nfs/dbraw/zinc/14/70/46/1158147046.db2.gz LGGYJBXIYLMTSZ-KBPBESRZSA-N 1 3 309.429 2.150 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C)nc1C ZINC001394008000 1158157337 /nfs/dbraw/zinc/15/73/37/1158157337.db2.gz XJCUTSRSQWYYGB-CABCVRRESA-N 1 3 320.481 2.023 20 0 DEADHO C[C@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]CCC1CCCC1 ZINC001394527548 1158612087 /nfs/dbraw/zinc/61/20/87/1158612087.db2.gz KANGGFFDBRSGSC-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H]1C[C@H](NCCF)CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001394690985 1158683411 /nfs/dbraw/zinc/68/34/11/1158683411.db2.gz OFWUOGCOODVQCN-GJZGRUSLSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H]1C[C@H](NCCF)CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001394690985 1158683415 /nfs/dbraw/zinc/68/34/15/1158683415.db2.gz OFWUOGCOODVQCN-GJZGRUSLSA-N 1 3 313.461 2.190 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N2CCCC2)CC[N@@H+]1CC1CC1 ZINC001375617295 1158830178 /nfs/dbraw/zinc/83/01/78/1158830178.db2.gz XMXIJGJYEOQFDW-KSZLIROESA-N 1 3 321.509 2.486 20 0 DEADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N2CCCC2)CC[N@H+]1CC1CC1 ZINC001375617295 1158830182 /nfs/dbraw/zinc/83/01/82/1158830182.db2.gz XMXIJGJYEOQFDW-KSZLIROESA-N 1 3 321.509 2.486 20 0 DEADHO O=C(CCC[NH+]1CCCC1)N1C[C@H]2CCC[C@@H](C1)N2CC1CC1 ZINC001375622935 1158832296 /nfs/dbraw/zinc/83/22/96/1158832296.db2.gz XOXGTBKIFBGHSJ-HDICACEKSA-N 1 3 319.493 2.338 20 0 DEADHO CC[C@@H](F)C[NH+]1CCC(C)(CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001375927377 1158990365 /nfs/dbraw/zinc/99/03/65/1158990365.db2.gz ZWWXMTSJKMHOAM-CABCVRRESA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(F)c1)N(C)C ZINC001403567134 1163007621 /nfs/dbraw/zinc/00/76/21/1163007621.db2.gz JIIBGJCVHWFWKL-CZUORRHYSA-N 1 3 309.429 2.102 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H](NC/C=C\Cl)C1)[NH+]1CCCC1 ZINC001376353218 1159355375 /nfs/dbraw/zinc/35/53/75/1159355375.db2.gz PWHKHCIGVCSJTI-RUCLMCIISA-N 1 3 313.873 2.050 20 0 DEADHO C[C@@H](N[C@H]1CCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1F ZINC001376386709 1159379439 /nfs/dbraw/zinc/37/94/39/1159379439.db2.gz ACTWDGNPZYHWJX-CABCVRRESA-N 1 3 321.440 2.419 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[N@H+](C)[C@@H](C)c1ccccc1)N(C)C ZINC001403595371 1163032320 /nfs/dbraw/zinc/03/23/20/1163032320.db2.gz ROTHDAGXZSZIOU-RDJZCZTQSA-N 1 3 305.466 2.382 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[N@@H+](C)[C@@H](C)c1ccccc1)N(C)C ZINC001403595371 1163032328 /nfs/dbraw/zinc/03/23/28/1163032328.db2.gz ROTHDAGXZSZIOU-RDJZCZTQSA-N 1 3 305.466 2.382 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@@H](NCc2cncs2)C1)[NH+](CC)CC ZINC001376472938 1159458987 /nfs/dbraw/zinc/45/89/87/1159458987.db2.gz FRTVYPXETVRYSD-GUTXKFCHSA-N 1 3 324.494 2.000 20 0 DEADHO C[C@@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]CC1CCCCC1 ZINC001403600353 1163038918 /nfs/dbraw/zinc/03/89/18/1163038918.db2.gz OJOSLYXSMFQJIY-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1cccc(Cl)c1 ZINC001376746190 1159759657 /nfs/dbraw/zinc/75/96/57/1159759657.db2.gz ZTZXIYROSUZWMI-ZDUSSCGKSA-N 1 3 323.868 2.419 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)c1cccc(C)c1 ZINC001376846045 1159821536 /nfs/dbraw/zinc/82/15/36/1159821536.db2.gz HAQHHMWCTYPEMR-HZPDHXFCSA-N 1 3 305.466 2.492 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2F)C1 ZINC001396927078 1159876999 /nfs/dbraw/zinc/87/69/99/1159876999.db2.gz CYTJFWDAXRCNHD-RHSMWYFYSA-N 1 3 321.440 2.102 20 0 DEADHO CCc1ccccc1CN(C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001377163254 1160000689 /nfs/dbraw/zinc/00/06/89/1160000689.db2.gz URYDQGNTKDFZQC-CRAIPNDOSA-N 1 3 317.477 2.137 20 0 DEADHO CCc1ccccc1CN(C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001377163254 1160000697 /nfs/dbraw/zinc/00/06/97/1160000697.db2.gz URYDQGNTKDFZQC-CRAIPNDOSA-N 1 3 317.477 2.137 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[N@H+](C)[C@@H]1CCc2ccccc21)N(C)C ZINC001377172807 1160009365 /nfs/dbraw/zinc/00/93/65/1160009365.db2.gz JHGKWEXYCMEFLW-MSOLQXFVSA-N 1 3 317.477 2.308 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[N@@H+](C)[C@@H]1CCc2ccccc21)N(C)C ZINC001377172807 1160009377 /nfs/dbraw/zinc/00/93/77/1160009377.db2.gz JHGKWEXYCMEFLW-MSOLQXFVSA-N 1 3 317.477 2.308 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C[C@H]1C)CC[NH+](C(C)C)CC2 ZINC001397175845 1160032684 /nfs/dbraw/zinc/03/26/84/1160032684.db2.gz NUBTYPFMDSXECU-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CCCN(C)CC(=O)N1CCCCC[C@@H]([NH2+]CCC2CC2)C1 ZINC001397234236 1160071614 /nfs/dbraw/zinc/07/16/14/1160071614.db2.gz SJVZFLTWNVPGDS-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCc2ccccc2)C1 ZINC001377285096 1160119967 /nfs/dbraw/zinc/11/99/67/1160119967.db2.gz MDOSOEGUYNRSTN-FUHWJXTLSA-N 1 3 317.477 2.007 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2)C1)N(C)C ZINC001397618056 1160365147 /nfs/dbraw/zinc/36/51/47/1160365147.db2.gz AYJKBLOHOAXTIO-KSZLIROESA-N 1 3 317.477 2.320 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccsc2)C1)N(C)C ZINC001377466699 1160394882 /nfs/dbraw/zinc/39/48/82/1160394882.db2.gz IIPWDYNPQRBJLB-ZFWWWQNUSA-N 1 3 309.479 2.026 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccsc2)C1)N(C)C ZINC001377466699 1160394891 /nfs/dbraw/zinc/39/48/91/1160394891.db2.gz IIPWDYNPQRBJLB-ZFWWWQNUSA-N 1 3 309.479 2.026 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccccc1F)N(C)C ZINC001377483135 1160415440 /nfs/dbraw/zinc/41/54/40/1160415440.db2.gz GFXGNXVOPPDIEN-WMLDXEAASA-N 1 3 323.456 2.396 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2CCC[N@H+](CC3CC3)[C@@H]2C1(C)C ZINC001397748482 1160440436 /nfs/dbraw/zinc/44/04/36/1160440436.db2.gz VODASRCENGBYGY-NXHRZFHOSA-N 1 3 321.509 2.343 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2CCC[N@@H+](CC3CC3)[C@@H]2C1(C)C ZINC001397748482 1160440442 /nfs/dbraw/zinc/44/04/42/1160440442.db2.gz VODASRCENGBYGY-NXHRZFHOSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@H](C)NC/C(Cl)=C\Cl)[NH+](C)C ZINC001377513400 1160455172 /nfs/dbraw/zinc/45/51/72/1160455172.db2.gz MCDLFYSFYTUUET-OVJSSFAUSA-N 1 3 324.296 2.376 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2C[N@H+](C)CCC2CC2)C1 ZINC001397808287 1160533626 /nfs/dbraw/zinc/53/36/26/1160533626.db2.gz CCBBLURKSFKESL-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2C[N@@H+](C)CCC2CC2)C1 ZINC001397808287 1160533633 /nfs/dbraw/zinc/53/36/33/1160533633.db2.gz CCBBLURKSFKESL-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO Cc1cccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001377827597 1160840555 /nfs/dbraw/zinc/84/05/55/1160840555.db2.gz PKNLWCMQQQYDLB-CVEARBPZSA-N 1 3 317.477 2.462 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001398460512 1160897692 /nfs/dbraw/zinc/89/76/92/1160897692.db2.gz FEIBNXDYHUGKKG-QGZVFWFLSA-N 1 3 309.498 2.299 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001398460512 1160897695 /nfs/dbraw/zinc/89/76/95/1160897695.db2.gz FEIBNXDYHUGKKG-QGZVFWFLSA-N 1 3 309.498 2.299 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC001492873486 1160946572 /nfs/dbraw/zinc/94/65/72/1160946572.db2.gz IIVMEBNUFOOSOK-CALCHBBNSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC001492873486 1160946580 /nfs/dbraw/zinc/94/65/80/1160946580.db2.gz IIVMEBNUFOOSOK-CALCHBBNSA-N 1 3 317.477 2.416 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@H+](CC(C)C)CC[C@@H]21 ZINC001398589480 1161004342 /nfs/dbraw/zinc/00/43/42/1161004342.db2.gz VBIJFXXVDUVZAG-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@@H+](CC(C)C)CC[C@@H]21 ZINC001398589480 1161004353 /nfs/dbraw/zinc/00/43/53/1161004353.db2.gz VBIJFXXVDUVZAG-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001398794716 1161105459 /nfs/dbraw/zinc/10/54/59/1161105459.db2.gz PVJRFEXURWBAKK-ZFWWWQNUSA-N 1 3 306.454 2.133 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001398794716 1161105461 /nfs/dbraw/zinc/10/54/61/1161105461.db2.gz PVJRFEXURWBAKK-ZFWWWQNUSA-N 1 3 306.454 2.133 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001398794712 1161105560 /nfs/dbraw/zinc/10/55/60/1161105560.db2.gz PVJRFEXURWBAKK-HIFRSBDPSA-N 1 3 306.454 2.133 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001398794712 1161105562 /nfs/dbraw/zinc/10/55/62/1161105562.db2.gz PVJRFEXURWBAKK-HIFRSBDPSA-N 1 3 306.454 2.133 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001399224051 1161289318 /nfs/dbraw/zinc/28/93/18/1161289318.db2.gz KXEPEXMQKPQFRU-SJORKVTESA-N 1 3 321.440 2.300 20 0 DEADHO CC(C)c1ccc(C[N@H+](C)CCNC(=O)[C@@H]2CCCN2C)cc1 ZINC001399439257 1161396901 /nfs/dbraw/zinc/39/69/01/1161396901.db2.gz PXRHPLJZGCOTHQ-SFHVURJKSA-N 1 3 317.477 2.452 20 0 DEADHO CC(C)c1ccc(C[N@@H+](C)CCNC(=O)[C@@H]2CCCN2C)cc1 ZINC001399439257 1161396904 /nfs/dbraw/zinc/39/69/04/1161396904.db2.gz PXRHPLJZGCOTHQ-SFHVURJKSA-N 1 3 317.477 2.452 20 0 DEADHO CCCN(C)CC(=O)NCC[N@H+](C)[C@H]1CCc2ccccc21 ZINC001399635213 1161489590 /nfs/dbraw/zinc/48/95/90/1161489590.db2.gz SQCCWYQDPSACKL-KRWDZBQOSA-N 1 3 303.450 2.064 20 0 DEADHO CCCN(C)CC(=O)NCC[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001399635213 1161489593 /nfs/dbraw/zinc/48/95/93/1161489593.db2.gz SQCCWYQDPSACKL-KRWDZBQOSA-N 1 3 303.450 2.064 20 0 DEADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC001399831929 1161582721 /nfs/dbraw/zinc/58/27/21/1161582721.db2.gz XHZTZQLHALWYLD-GOEBONIOSA-N 1 3 321.440 2.277 20 0 DEADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC001399831929 1161582727 /nfs/dbraw/zinc/58/27/27/1161582727.db2.gz XHZTZQLHALWYLD-GOEBONIOSA-N 1 3 321.440 2.277 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCC1)N(C)C ZINC001399906220 1161604385 /nfs/dbraw/zinc/60/43/85/1161604385.db2.gz QJUZUTWDYBVVRT-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CCCC1)N(C)C ZINC001399906220 1161604386 /nfs/dbraw/zinc/60/43/86/1161604386.db2.gz QJUZUTWDYBVVRT-IAGOWNOFSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[N@H+](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001400027699 1161636009 /nfs/dbraw/zinc/63/60/09/1161636009.db2.gz HMEYEBGOXLTPFV-QGZVFWFLSA-N 1 3 313.461 2.188 20 0 DEADHO CC(C)[N@@H+](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001400027699 1161636012 /nfs/dbraw/zinc/63/60/12/1161636012.db2.gz HMEYEBGOXLTPFV-QGZVFWFLSA-N 1 3 313.461 2.188 20 0 DEADHO CC(C)CCC[NH+]1CC(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001400519030 1161761271 /nfs/dbraw/zinc/76/12/71/1161761271.db2.gz WUPUPGYBKFRFKK-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1ccccc1F ZINC001400806198 1161825212 /nfs/dbraw/zinc/82/52/12/1161825212.db2.gz WLJIEZDKIAWWML-VNQPRFMTSA-N 1 3 321.440 2.150 20 0 DEADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1ccccc1F ZINC001400806198 1161825213 /nfs/dbraw/zinc/82/52/13/1161825213.db2.gz WLJIEZDKIAWWML-VNQPRFMTSA-N 1 3 321.440 2.150 20 0 DEADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)NCCF ZINC001400806768 1161825332 /nfs/dbraw/zinc/82/53/32/1161825332.db2.gz PWKAHCFSSFKQDY-LSDHHAIUSA-N 1 3 313.461 2.095 20 0 DEADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)NCCF ZINC001400806768 1161825334 /nfs/dbraw/zinc/82/53/34/1161825334.db2.gz PWKAHCFSSFKQDY-LSDHHAIUSA-N 1 3 313.461 2.095 20 0 DEADHO CC[N@H+](C)CCC(=O)NCCC1CCN(C/C=C\Cl)CC1 ZINC001401079152 1161868283 /nfs/dbraw/zinc/86/82/83/1161868283.db2.gz KBJLHLVRKRRWAS-WTKPLQERSA-N 1 3 315.889 2.299 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCCC1CCN(C/C=C\Cl)CC1 ZINC001401079152 1161868284 /nfs/dbraw/zinc/86/82/84/1161868284.db2.gz KBJLHLVRKRRWAS-WTKPLQERSA-N 1 3 315.889 2.299 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001401250010 1161905083 /nfs/dbraw/zinc/90/50/83/1161905083.db2.gz CTTNWVBBCKNOOO-PBHICJAKSA-N 1 3 323.456 2.433 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)C1CC1)N(C)C ZINC001401873393 1162161461 /nfs/dbraw/zinc/16/14/61/1162161461.db2.gz OVCRWNGPBHFTIK-DLBZAZTESA-N 1 3 323.525 2.493 20 0 DEADHO CN(CC(=O)N[C@@H](C[NH2+]CC1CCC1)C1CC1)CC(C)(C)C ZINC001401882126 1162165587 /nfs/dbraw/zinc/16/55/87/1162165587.db2.gz XVTKTJIKYXNPMR-INIZCTEOSA-N 1 3 309.498 2.249 20 0 DEADHO CC[C@@H](F)C[NH+]1CCC([C@H](C)NC(=O)[C@H](CC)N(C)C)CC1 ZINC001403994329 1163361161 /nfs/dbraw/zinc/36/11/61/1163361161.db2.gz JPOMWUKUJXBHGX-IMJJTQAJSA-N 1 3 315.477 2.291 20 0 DEADHO C[C@@H](NCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccccc1F ZINC001404306329 1163573451 /nfs/dbraw/zinc/57/34/51/1163573451.db2.gz AGLJRTGTHUKMBF-HUUCEWRRSA-N 1 3 321.440 2.277 20 0 DEADHO C[C@@H](NCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)c1ccccc1F ZINC001404306329 1163573456 /nfs/dbraw/zinc/57/34/56/1163573456.db2.gz AGLJRTGTHUKMBF-HUUCEWRRSA-N 1 3 321.440 2.277 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@H](C)[NH2+]C[C@H](F)CC)CC1 ZINC001404413179 1163622286 /nfs/dbraw/zinc/62/22/86/1163622286.db2.gz VMKTXVKWNJWOCH-GOEBONIOSA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@@H](C(=O)NCC1C[NH+]([C@H](C)c2cccc(C)c2)C1)N(C)C ZINC001404917498 1163859641 /nfs/dbraw/zinc/85/96/41/1163859641.db2.gz BUDZGVNLRDKYLQ-QAPCUYQASA-N 1 3 317.477 2.444 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CCN(CCCF)C1)[NH+]1CCCCC1 ZINC001405031543 1163900027 /nfs/dbraw/zinc/90/00/27/1163900027.db2.gz DCRQDNUNXHAKRS-JKSUJKDBSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]C/C=C\Cl ZINC001405311257 1164047902 /nfs/dbraw/zinc/04/79/02/1164047902.db2.gz VNELLUSXZWKRCD-WSROAFLRSA-N 1 3 303.878 2.201 20 0 DEADHO C[C@@H](C[NH2+]CC1CC1)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001405871788 1164303426 /nfs/dbraw/zinc/30/34/26/1164303426.db2.gz RRWDSEDGOZIKDQ-SUMWQHHRSA-N 1 3 313.461 2.045 20 0 DEADHO CCc1ccccc1C[NH2+]C[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001406403274 1164570220 /nfs/dbraw/zinc/57/02/20/1164570220.db2.gz VWNLLZQXJXWEJV-HZPDHXFCSA-N 1 3 317.477 2.185 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CNCc1ccns1 ZINC001406413964 1164580771 /nfs/dbraw/zinc/58/07/71/1164580771.db2.gz VGIBIQKIDVYLNY-HIFRSBDPSA-N 1 3 324.494 2.000 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CNCc1ccns1 ZINC001406413964 1164580780 /nfs/dbraw/zinc/58/07/80/1164580780.db2.gz VGIBIQKIDVYLNY-HIFRSBDPSA-N 1 3 324.494 2.000 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(Cl)s1 ZINC001406422054 1164586855 /nfs/dbraw/zinc/58/68/55/1164586855.db2.gz NPVVVLLWMRPUOB-LLVKDONJSA-N 1 3 317.886 2.338 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001406775253 1164825180 /nfs/dbraw/zinc/82/51/80/1164825180.db2.gz QUYGTAVBEPAXQD-HUUCEWRRSA-N 1 3 313.461 2.093 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001406995964 1164912512 /nfs/dbraw/zinc/91/25/12/1164912512.db2.gz HLVIEDWUCNCVDJ-CQSZACIVSA-N 1 3 321.440 2.467 20 0 DEADHO CCc1ccc(CN2CC[C@](C)(NC(=O)CC[NH+](C)C)C2)cc1 ZINC001407180584 1165029111 /nfs/dbraw/zinc/02/91/11/1165029111.db2.gz NCONLOSSTIOQKN-IBGZPJMESA-N 1 3 317.477 2.281 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C[NH2+]CC1CCC1 ZINC001407532608 1165186232 /nfs/dbraw/zinc/18/62/32/1165186232.db2.gz GWFOKAALUQCASM-WBVHZDCISA-N 1 3 323.525 2.449 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]CCC2CC2)CCC1 ZINC001407776633 1165302488 /nfs/dbraw/zinc/30/24/88/1165302488.db2.gz OESLSZFWQQSOCK-MRXNPFEDSA-N 1 3 307.482 2.288 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001408147509 1165497901 /nfs/dbraw/zinc/49/79/01/1165497901.db2.gz UXJOWMBNDPTDGW-JKSUJKDBSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001408147509 1165497910 /nfs/dbraw/zinc/49/79/10/1165497910.db2.gz UXJOWMBNDPTDGW-JKSUJKDBSA-N 1 3 311.514 2.445 20 0 DEADHO C[C@H](C(=O)N(C)C[C@H]1CCN1CC1CC1)[NH+]1CCCCCC1 ZINC001417738681 1167178627 /nfs/dbraw/zinc/17/86/27/1167178627.db2.gz HALQHYBIABTJPP-NVXWUHKLSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)CCC[N@H+]1CC[C@@H]1CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001417754539 1167188384 /nfs/dbraw/zinc/18/83/84/1167188384.db2.gz HJMHHCIHGWGKFQ-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001417754539 1167188379 /nfs/dbraw/zinc/18/83/79/1167188379.db2.gz HJMHHCIHGWGKFQ-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CCc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H](CC)N(C)C)C2)c1 ZINC001418065995 1167391547 /nfs/dbraw/zinc/39/15/47/1167391547.db2.gz SBZDWRQTYWTKEP-KZNAEPCWSA-N 1 3 317.477 2.326 20 0 DEADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]CCC1CC1 ZINC001418313657 1167569150 /nfs/dbraw/zinc/56/91/50/1167569150.db2.gz OHVMPSNXQNQMCV-AWEZNQCLSA-N 1 3 303.450 2.256 20 0 DEADHO CN(CC(=O)NCC[N@H+](C)CC1CCC2(CC2)CC1)C1CCC1 ZINC001418464422 1167676782 /nfs/dbraw/zinc/67/67/82/1167676782.db2.gz AVWDVSYZUCSXLI-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CN(CC(=O)NCC[N@@H+](C)CC1CCC2(CC2)CC1)C1CCC1 ZINC001418464422 1167676784 /nfs/dbraw/zinc/67/67/84/1167676784.db2.gz AVWDVSYZUCSXLI-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CC[N@H+](CCNC(=O)CN(C)C(C)C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001418584498 1167827571 /nfs/dbraw/zinc/82/75/71/1167827571.db2.gz CLBSXMFKDZCUKP-ZACQAIPSSA-N 1 3 309.498 2.201 20 0 DEADHO CC[N@@H+](CCNC(=O)CN(C)C(C)C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001418584498 1167827572 /nfs/dbraw/zinc/82/75/72/1167827572.db2.gz CLBSXMFKDZCUKP-ZACQAIPSSA-N 1 3 309.498 2.201 20 0 DEADHO CN(CC(=O)N1CCCCC[C@@H]([NH2+]CCF)C1)CC(C)(C)C ZINC001418791678 1167963258 /nfs/dbraw/zinc/96/32/58/1167963258.db2.gz LWRTYHNBWWVDNX-OAHLLOKOSA-N 1 3 315.477 2.295 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)[C@@H]1C)N1CCCCC1 ZINC001418814869 1167982194 /nfs/dbraw/zinc/98/21/94/1167982194.db2.gz DACXUQYEIKMVNA-NJAFHUGGSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CC2)[C@@H]1C)N1CCCCC1 ZINC001418814869 1167982198 /nfs/dbraw/zinc/98/21/98/1167982198.db2.gz DACXUQYEIKMVNA-NJAFHUGGSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001418824211 1167989623 /nfs/dbraw/zinc/98/96/23/1167989623.db2.gz IUDCFHZJHRNZFZ-OAHLLOKOSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[NH2+][C@H](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001418840173 1168000195 /nfs/dbraw/zinc/00/01/95/1168000195.db2.gz ASLDTEVKGDDOBS-OAHLLOKOSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H](F)CC[NH2+][C@@H](CNC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001419282679 1168371604 /nfs/dbraw/zinc/37/16/04/1168371604.db2.gz VIBRTCTWJDUFRP-HIFRSBDPSA-N 1 3 313.461 2.093 20 0 DEADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C)nc1C)N(C)C ZINC001420137732 1169190804 /nfs/dbraw/zinc/19/08/04/1169190804.db2.gz GBPGBJCKRKXSJC-DYVFJYSZSA-N 1 3 320.481 2.023 20 0 DEADHO Cc1ccc(C)c(C[NH2+]C[C@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001420441280 1169560125 /nfs/dbraw/zinc/56/01/25/1169560125.db2.gz ZENNULAFFKGQOO-INIZCTEOSA-N 1 3 317.477 2.382 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001420463783 1169598996 /nfs/dbraw/zinc/59/89/96/1169598996.db2.gz RJBSYDJRFZKIMF-DOTOQJQBSA-N 1 3 305.466 2.176 20 0 DEADHO CCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001420501537 1169670271 /nfs/dbraw/zinc/67/02/71/1169670271.db2.gz BYXAPVPNXAVIFF-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001420501537 1169670297 /nfs/dbraw/zinc/67/02/97/1169670297.db2.gz BYXAPVPNXAVIFF-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001420554307 1169787546 /nfs/dbraw/zinc/78/75/46/1169787546.db2.gz HDPDPMXJHVNENU-MRXNPFEDSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001420554307 1169787551 /nfs/dbraw/zinc/78/75/51/1169787551.db2.gz HDPDPMXJHVNENU-MRXNPFEDSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[N@H+](C)CC1CC2(CCC2)C1)N(C)C ZINC001420590105 1169815758 /nfs/dbraw/zinc/81/57/58/1169815758.db2.gz GVMNRWHBBMXANH-GDBMZVCRSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[N@@H+](C)CC1CC2(CCC2)C1)N(C)C ZINC001420590105 1169815759 /nfs/dbraw/zinc/81/57/59/1169815759.db2.gz GVMNRWHBBMXANH-GDBMZVCRSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001420863640 1171295163 /nfs/dbraw/zinc/29/51/63/1171295163.db2.gz VHZOMCQWAFRXEO-IRXDYDNUSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001420863640 1171295176 /nfs/dbraw/zinc/29/51/76/1171295176.db2.gz VHZOMCQWAFRXEO-IRXDYDNUSA-N 1 3 311.514 2.447 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CC[C@@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001420886717 1171321225 /nfs/dbraw/zinc/32/12/25/1171321225.db2.gz JJEBRMSKUGFJHR-UKRRQHHQSA-N 1 3 306.454 2.135 20 0 DEADHO CC[C@@H](C)C[N@H+]1CC[C@@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001420886717 1171321234 /nfs/dbraw/zinc/32/12/34/1171321234.db2.gz JJEBRMSKUGFJHR-UKRRQHHQSA-N 1 3 306.454 2.135 20 0 DEADHO CC[N@H+](C)CCC(=O)NCC1CN([C@@H](C)c2ccccc2)C1 ZINC001421165436 1171545171 /nfs/dbraw/zinc/54/51/71/1171545171.db2.gz BQBGMCQHIGBZNW-HNNXBMFYSA-N 1 3 303.450 2.137 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCC1CN([C@@H](C)c2ccccc2)C1 ZINC001421165436 1171545181 /nfs/dbraw/zinc/54/51/81/1171545181.db2.gz BQBGMCQHIGBZNW-HNNXBMFYSA-N 1 3 303.450 2.137 20 0 DEADHO CC(C)CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001421204293 1171585628 /nfs/dbraw/zinc/58/56/28/1171585628.db2.gz NSNMWHAFXJETFV-ULQDDVLXSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001421204293 1171585637 /nfs/dbraw/zinc/58/56/37/1171585637.db2.gz NSNMWHAFXJETFV-ULQDDVLXSA-N 1 3 307.482 2.050 20 0 DEADHO CCN(C(=O)CC[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001421370480 1171747702 /nfs/dbraw/zinc/74/77/02/1171747702.db2.gz NPCWOWHBMBJKQT-QGZVFWFLSA-N 1 3 303.450 2.061 20 0 DEADHO CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC=C(Cl)Cl ZINC001421471594 1171813284 /nfs/dbraw/zinc/81/32/84/1171813284.db2.gz RMVJXGCYWLKRJU-NWDGAFQWSA-N 1 3 322.280 2.132 20 0 DEADHO CC[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC=C(Cl)Cl ZINC001421471594 1171813287 /nfs/dbraw/zinc/81/32/87/1171813287.db2.gz RMVJXGCYWLKRJU-NWDGAFQWSA-N 1 3 322.280 2.132 20 0 DEADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+]Cc1ccsc1 ZINC001421700234 1171911416 /nfs/dbraw/zinc/91/14/16/1171911416.db2.gz KRVBHYKFYQCJSV-ZDUSSCGKSA-N 1 3 309.479 2.074 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+]CCC(F)(F)F)CCCC1 ZINC001421847474 1172043023 /nfs/dbraw/zinc/04/30/23/1172043023.db2.gz FEJXMMCWWFVRMI-UHFFFAOYSA-N 1 3 323.403 2.298 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NCC2(NCCF)CCCC2)CC1 ZINC001421851107 1172046139 /nfs/dbraw/zinc/04/61/39/1172046139.db2.gz DCDZKSFIWIBCHV-UHFFFAOYSA-N 1 3 313.461 2.095 20 0 DEADHO C[N@H+](CCC1CCCC1)C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001422236958 1172424193 /nfs/dbraw/zinc/42/41/93/1172424193.db2.gz PCUWLFCETNQDHA-KRWDZBQOSA-N 1 3 318.465 2.455 20 0 DEADHO C[N@@H+](CCC1CCCC1)C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001422236958 1172424199 /nfs/dbraw/zinc/42/41/99/1172424199.db2.gz PCUWLFCETNQDHA-KRWDZBQOSA-N 1 3 318.465 2.455 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001422244953 1172433543 /nfs/dbraw/zinc/43/35/43/1172433543.db2.gz PJPNEJGHKDXDIL-MSOLQXFVSA-N 1 3 321.509 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001422244953 1172433548 /nfs/dbraw/zinc/43/35/48/1172433548.db2.gz PJPNEJGHKDXDIL-MSOLQXFVSA-N 1 3 321.509 2.299 20 0 DEADHO CCN(CC[NH2+][C@H](C)c1ccccc1)C(=O)[C@@H]1CCCN1C ZINC001422432813 1172586187 /nfs/dbraw/zinc/58/61/87/1172586187.db2.gz YUILSPZWONYVFF-WBVHZDCISA-N 1 3 303.450 2.280 20 0 DEADHO CN(CC(C)(C)CNC/C(Cl)=C/Cl)C(=O)CC[NH+](C)C ZINC001422461335 1172611355 /nfs/dbraw/zinc/61/13/55/1172611355.db2.gz QPZXTRQQTBTPQY-WQLSENKSSA-N 1 3 324.296 2.331 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[N@H+](C)CCc1ccc(C)cc1)N(C)C ZINC001422525704 1172676146 /nfs/dbraw/zinc/67/61/46/1172676146.db2.gz WAOQNIAUIGHTMO-FUHWJXTLSA-N 1 3 319.493 2.314 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)CCc1ccc(C)cc1)N(C)C ZINC001422525704 1172676152 /nfs/dbraw/zinc/67/61/52/1172676152.db2.gz WAOQNIAUIGHTMO-FUHWJXTLSA-N 1 3 319.493 2.314 20 0 DEADHO C[C@H](CNC(=O)CC[NH+](C)C)N(C)[C@H](C)c1cccc(F)c1 ZINC001422569422 1172717684 /nfs/dbraw/zinc/71/76/84/1172717684.db2.gz UGAAQPNTNJTWPV-ZIAGYGMSSA-N 1 3 309.429 2.275 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[N@H+](C)CC1CC2(CCC2)C1 ZINC001422592690 1172742835 /nfs/dbraw/zinc/74/28/35/1172742835.db2.gz WDICBZBGUGZRTO-CYBMUJFWSA-N 1 3 318.465 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[N@@H+](C)CC1CC2(CCC2)C1 ZINC001422592690 1172742846 /nfs/dbraw/zinc/74/28/46/1172742846.db2.gz WDICBZBGUGZRTO-CYBMUJFWSA-N 1 3 318.465 2.277 20 0 DEADHO Cc1cc(C[NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C)c(C)s1 ZINC001422618708 1172766362 /nfs/dbraw/zinc/76/63/62/1172766362.db2.gz RWJYUWAMZCLVHJ-GFCCVEGCSA-N 1 3 311.495 2.299 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001422747192 1172841225 /nfs/dbraw/zinc/84/12/25/1172841225.db2.gz OBNJIQAJUPSNCQ-ZDUSSCGKSA-N 1 3 318.465 2.325 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C1C[NH+](CC2CCCCC2)C1)N(C)C ZINC001422757701 1172845472 /nfs/dbraw/zinc/84/54/72/1172845472.db2.gz WORYXNNRNYZZEC-PBHICJAKSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001422935569 1172956399 /nfs/dbraw/zinc/95/63/99/1172956399.db2.gz MCTOANUTRGBYLZ-HOTGVXAUSA-N 1 3 309.498 2.391 20 0 DEADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc4c(c3)CCC(=O)N4C)[C@H]2C1 ZINC001422975380 1172990144 /nfs/dbraw/zinc/99/01/44/1172990144.db2.gz WQYPSGIRLJFSMN-YESZJQIVSA-N 1 3 313.445 2.025 20 0 DEADHO CC[C@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)[C@@H](O)C(F)F ZINC001423249657 1173184532 /nfs/dbraw/zinc/18/45/32/1173184532.db2.gz FLIQASQGRYVKNY-IOSBVQAASA-N 1 3 320.424 2.014 20 0 DEADHO CC[C@@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)[C@H](O)C(F)F ZINC001423249661 1173184797 /nfs/dbraw/zinc/18/47/97/1173184797.db2.gz FLIQASQGRYVKNY-IQXANGCESA-N 1 3 320.424 2.014 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC2CCCCC2)[C@H]1C ZINC001423322807 1173237099 /nfs/dbraw/zinc/23/70/99/1173237099.db2.gz FGHQDUPFWLZTKC-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)C(C)C)C2 ZINC001423562397 1173411092 /nfs/dbraw/zinc/41/10/92/1173411092.db2.gz MQYFVVXQXODIRT-SFHVURJKSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)C(C)C)C2 ZINC001423562397 1173411097 /nfs/dbraw/zinc/41/10/97/1173411097.db2.gz MQYFVVXQXODIRT-SFHVURJKSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCCC1)C2 ZINC001423931262 1173579672 /nfs/dbraw/zinc/57/96/72/1173579672.db2.gz PAUWWUAHYVYSSN-BZSNNMDCSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCCC1)C2 ZINC001423931262 1173579677 /nfs/dbraw/zinc/57/96/77/1173579677.db2.gz PAUWWUAHYVYSSN-BZSNNMDCSA-N 1 3 321.509 2.488 20 0 DEADHO CCC(CC)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001423941020 1173584154 /nfs/dbraw/zinc/58/41/54/1173584154.db2.gz BLHBXSXDQSGZJO-NVXWUHKLSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)N1CCC(C)([NH2+]C/C=C/Cl)CC1)N(C)C ZINC001424490540 1173809205 /nfs/dbraw/zinc/80/92/05/1173809205.db2.gz LAUPURRKQXNKLP-YSKGHYERSA-N 1 3 301.862 2.050 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCc1cccs1 ZINC001424862614 1173996230 /nfs/dbraw/zinc/99/62/30/1173996230.db2.gz VCTAVSUJZKRGGH-KGLIPLIRSA-N 1 3 311.495 2.114 20 0 DEADHO C[C@H](NC(=O)CN(C)CC(C)(C)C)C1C[NH+](CC2CC(C)C2)C1 ZINC001425241885 1174255149 /nfs/dbraw/zinc/25/51/49/1174255149.db2.gz HADKKODWMPCDED-PCKAHOCUSA-N 1 3 323.525 2.447 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001425422609 1174314969 /nfs/dbraw/zinc/31/49/69/1174314969.db2.gz NWEKZGSKHDWEHM-XIRDDKMYSA-N 1 3 321.440 2.150 20 0 DEADHO Cc1ccc(F)c(CN[C@@H](C)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001425688401 1174461373 /nfs/dbraw/zinc/46/13/73/1174461373.db2.gz WMVXERXRBKJAAI-GJZGRUSLSA-N 1 3 321.440 2.022 20 0 DEADHO Cc1ccc(F)c(CN[C@@H](C)CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001425688401 1174461377 /nfs/dbraw/zinc/46/13/77/1174461377.db2.gz WMVXERXRBKJAAI-GJZGRUSLSA-N 1 3 321.440 2.022 20 0 DEADHO CC[C@H](C(=O)N1C[C@H]([NH2+]CCC(F)(F)F)C(C)(C)C1)N(C)C ZINC001425966438 1174541715 /nfs/dbraw/zinc/54/17/15/1174541715.db2.gz XGMRISDLHRGLNX-NEPJUHHUSA-N 1 3 323.403 2.106 20 0 DEADHO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001434223199 1178336197 /nfs/dbraw/zinc/33/61/97/1178336197.db2.gz UTGHNMIJFQQHCO-QZWWFDLISA-N 1 3 309.498 2.438 20 0 DEADHO C[C@H]1[C@@H](NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCN1C ZINC001434766344 1178872730 /nfs/dbraw/zinc/87/27/30/1178872730.db2.gz MVMJLOVVBLVCGQ-FZKCQIBNSA-N 1 3 324.513 2.135 20 0 DEADHO C[C@H]1[C@@H](NC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCN1C ZINC001434766344 1178872731 /nfs/dbraw/zinc/87/27/31/1178872731.db2.gz MVMJLOVVBLVCGQ-FZKCQIBNSA-N 1 3 324.513 2.135 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001436401836 1179081451 /nfs/dbraw/zinc/08/14/51/1179081451.db2.gz RXDGNVLHRAAUSC-JCNLHEQBSA-N 1 3 321.440 2.152 20 0 DEADHO CCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)[C@H]1C ZINC001436487700 1179143788 /nfs/dbraw/zinc/14/37/88/1179143788.db2.gz DXHBZVZEGGCPGW-IKGGRYGDSA-N 1 3 309.498 2.486 20 0 DEADHO CCCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)[C@H]1C ZINC001436487700 1179143796 /nfs/dbraw/zinc/14/37/96/1179143796.db2.gz DXHBZVZEGGCPGW-IKGGRYGDSA-N 1 3 309.498 2.486 20 0 DEADHO CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)Cc1cccc(C)c1 ZINC001437627505 1179869104 /nfs/dbraw/zinc/86/91/04/1179869104.db2.gz XZFLNWPTFVWHNZ-QGZVFWFLSA-N 1 3 317.477 2.275 20 0 DEADHO CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)Cc1cccc(C)c1 ZINC001437627505 1179869105 /nfs/dbraw/zinc/86/91/05/1179869105.db2.gz XZFLNWPTFVWHNZ-QGZVFWFLSA-N 1 3 317.477 2.275 20 0 DEADHO CCC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1ccccc1 ZINC001437760192 1179956989 /nfs/dbraw/zinc/95/69/89/1179956989.db2.gz CJTYTJCWVSQPBN-KRWDZBQOSA-N 1 3 317.477 2.357 20 0 DEADHO CCC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1ccccc1 ZINC001437760192 1179956998 /nfs/dbraw/zinc/95/69/98/1179956998.db2.gz CJTYTJCWVSQPBN-KRWDZBQOSA-N 1 3 317.477 2.357 20 0 DEADHO CN(CC[NH2+][C@H]1CCCc2ccccc21)C(=O)[C@@H]1CCCN1C ZINC001437828102 1180018919 /nfs/dbraw/zinc/01/89/19/1180018919.db2.gz LKNABGMNGHHYQK-ROUUACIJSA-N 1 3 315.461 2.206 20 0 DEADHO CC[NH2+]C[C@](C)(NC(=O)c1cccc(CN(C)C)c1)C1CC1 ZINC001438428210 1180414265 /nfs/dbraw/zinc/41/42/65/1180414265.db2.gz GUAJYZFSVRPPSY-SFHVURJKSA-N 1 3 303.450 2.256 20 0 DEADHO Cc1cc(C[NH2+]C[C@H](C)N(C)C(=O)CN(C)C2CCC2)cs1 ZINC001438652777 1180729727 /nfs/dbraw/zinc/72/97/27/1180729727.db2.gz NXCXPZVIVAVTAG-ZDUSSCGKSA-N 1 3 323.506 2.477 20 0 DEADHO Cc1ccccc1C[N@@H+](C)CCN(C)C(=O)CN(C)C(C)C ZINC001438939914 1180859772 /nfs/dbraw/zinc/85/97/72/1180859772.db2.gz WDOQFARDIXRWLL-UHFFFAOYSA-N 1 3 305.466 2.225 20 0 DEADHO Cc1ccccc1C[N@H+](C)CCN(C)C(=O)CN(C)C(C)C ZINC001438939914 1180859780 /nfs/dbraw/zinc/85/97/80/1180859780.db2.gz WDOQFARDIXRWLL-UHFFFAOYSA-N 1 3 305.466 2.225 20 0 DEADHO C[C@@H](C[NH2+][C@@H](C)c1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001439212955 1180942392 /nfs/dbraw/zinc/94/23/92/1180942392.db2.gz FNRSBFQJGZGNCO-GJZGRUSLSA-N 1 3 303.450 2.326 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCCC1)N(C)C ZINC001439555857 1181141134 /nfs/dbraw/zinc/14/11/34/1181141134.db2.gz XVXBILYEOIAVON-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+]1CC1CCCCC1)N(C)C ZINC001439555857 1181141138 /nfs/dbraw/zinc/14/11/38/1181141138.db2.gz XVXBILYEOIAVON-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)NCC1(C)CC[NH+](CC[C@@H](C)F)CC1 ZINC001439915118 1181304017 /nfs/dbraw/zinc/30/40/17/1181304017.db2.gz DJMVHLHHRWQPCH-OAHLLOKOSA-N 1 3 315.477 2.293 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001440308741 1181440298 /nfs/dbraw/zinc/44/02/98/1181440298.db2.gz UHASQHRCGZXDGC-NXHRZFHOSA-N 1 3 321.509 2.393 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2cccc(F)c2)CCC1)N(C)C ZINC001440336692 1181453905 /nfs/dbraw/zinc/45/39/05/1181453905.db2.gz HUTZREXSDYNKSX-INIZCTEOSA-N 1 3 321.440 2.294 20 0 DEADHO C[C@H](CNC(=O)CC[NH+](C)C)N(C)Cc1ccc2cc[nH]c2c1 ZINC001440961898 1181801323 /nfs/dbraw/zinc/80/13/23/1181801323.db2.gz GQPHYZJLUCAOHQ-CQSZACIVSA-N 1 3 316.449 2.056 20 0 DEADHO C[C@@H](CNC(=O)CC[NH+](C)C)N(C)Cc1ccccc1C1CC1 ZINC001440963518 1181802421 /nfs/dbraw/zinc/80/24/21/1181802421.db2.gz RGIQTFLLZWEOKH-HNNXBMFYSA-N 1 3 317.477 2.452 20 0 DEADHO CCC[NH2+][C@@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001441222868 1181900859 /nfs/dbraw/zinc/90/08/59/1181900859.db2.gz INGQJTMTSDLHAI-WMLDXEAASA-N 1 3 313.461 2.093 20 0 DEADHO CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001441286494 1181929882 /nfs/dbraw/zinc/92/98/82/1181929882.db2.gz VNAURTPBVSOCFU-TVFCKZIOSA-N 1 3 321.509 2.345 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001441286494 1181929886 /nfs/dbraw/zinc/92/98/86/1181929886.db2.gz VNAURTPBVSOCFU-TVFCKZIOSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H](CN(C)CCF)C1)[NH+](CC)CC ZINC001441311157 1181940761 /nfs/dbraw/zinc/94/07/61/1181940761.db2.gz XJMGWIYRVDXCBO-HOTGVXAUSA-N 1 3 315.477 2.247 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@H+](CCC3CC3)CC[C@H]21 ZINC001441468969 1182009134 /nfs/dbraw/zinc/00/91/34/1182009134.db2.gz FMQQOTMFQGTOLR-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@@H+](CCC3CC3)CC[C@H]21 ZINC001441468969 1182009139 /nfs/dbraw/zinc/00/91/39/1182009139.db2.gz FMQQOTMFQGTOLR-ZWKOTPCHSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001441848476 1182213686 /nfs/dbraw/zinc/21/36/86/1182213686.db2.gz YVIOLOCWBHRTJS-KGLIPLIRSA-N 1 3 321.440 2.465 20 0 DEADHO Cc1cc(C)c(CN(C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)c(C)c1 ZINC001442604325 1182566257 /nfs/dbraw/zinc/56/62/57/1182566257.db2.gz AMZRQLQRVPUWJE-QGZVFWFLSA-N 1 3 317.477 2.112 20 0 DEADHO Cc1cc(C)c(CN(C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)c(C)c1 ZINC001442604325 1182566269 /nfs/dbraw/zinc/56/62/69/1182566269.db2.gz AMZRQLQRVPUWJE-QGZVFWFLSA-N 1 3 317.477 2.112 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001442900356 1182780075 /nfs/dbraw/zinc/78/00/75/1182780075.db2.gz FIMKTZPNFINKFX-CQSZACIVSA-N 1 3 309.479 2.028 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001442900356 1182780079 /nfs/dbraw/zinc/78/00/79/1182780079.db2.gz FIMKTZPNFINKFX-CQSZACIVSA-N 1 3 309.479 2.028 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)CC[NH2+][C@@H]2CCc3ccccc32)C1 ZINC001443077573 1182842586 /nfs/dbraw/zinc/84/25/86/1182842586.db2.gz JTWAHNSPQWOPOE-MAUKXSAKSA-N 1 3 315.461 2.064 20 0 DEADHO C[C@@H](NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1Cl ZINC001443094769 1182846550 /nfs/dbraw/zinc/84/65/50/1182846550.db2.gz QIRFMSXHUQZMTR-KGLIPLIRSA-N 1 3 323.868 2.401 20 0 DEADHO C[C@@H](NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1Cl ZINC001443094769 1182846551 /nfs/dbraw/zinc/84/65/51/1182846551.db2.gz QIRFMSXHUQZMTR-KGLIPLIRSA-N 1 3 323.868 2.401 20 0 DEADHO CN(CC(=O)NCC1C[NH+](CC2CC(C)(C)C2)C1)CC(C)(C)C ZINC001443614202 1183054534 /nfs/dbraw/zinc/05/45/34/1183054534.db2.gz MRKBETCWFLDAGX-UHFFFAOYSA-N 1 3 323.525 2.449 20 0 DEADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]CC1CC2(CCC2)C1 ZINC001444030812 1183264843 /nfs/dbraw/zinc/26/48/43/1183264843.db2.gz HKLHTEMENVJRAO-INIZCTEOSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H](C[NH2+]CC1CC1)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC001444722377 1183531720 /nfs/dbraw/zinc/53/17/20/1183531720.db2.gz NSVGCILDRLVTBL-CQSZACIVSA-N 1 3 303.450 2.208 20 0 DEADHO C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1)N(C)C(=O)CN1CCCC1 ZINC001444728688 1183533292 /nfs/dbraw/zinc/53/32/92/1183533292.db2.gz NYLOZCRSDMKVIO-CABCVRRESA-N 1 3 321.440 2.419 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001445506080 1183887801 /nfs/dbraw/zinc/88/78/01/1183887801.db2.gz UMXDRMVAWMPYSD-OAHLLOKOSA-N 1 3 317.477 2.110 20 0 DEADHO Cc1ccc(F)cc1C[NH2+]C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001445557424 1183903676 /nfs/dbraw/zinc/90/36/76/1183903676.db2.gz ILUKZHQBUNGMCA-AWEZNQCLSA-N 1 3 321.440 2.213 20 0 DEADHO CC(C)CN1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001446120213 1184235212 /nfs/dbraw/zinc/23/52/12/1184235212.db2.gz DSHWFDBVPPPPNZ-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC(C)(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001446470091 1184362234 /nfs/dbraw/zinc/36/22/34/1184362234.db2.gz OPSFKZXDKPOQEZ-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1ccc(CN2CC[C@@](C)(NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001446546420 1184404503 /nfs/dbraw/zinc/40/45/03/1184404503.db2.gz ZHZDCXFDLFYTLF-LJQANCHMSA-N 1 3 317.477 2.417 20 0 DEADHO CCC[NH+]1CCC(C)(CNC(=O)C(C)(C)N2CCCC2)CC1 ZINC001446635559 1184464998 /nfs/dbraw/zinc/46/49/98/1184464998.db2.gz XBJURMLTNYCTPG-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](C/C=C/Cl)C2 ZINC001446921616 1184578611 /nfs/dbraw/zinc/57/86/11/1184578611.db2.gz GZNUMDCKCOMWJE-PINBIDLJSA-N 1 3 313.873 2.048 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C/C=C/Cl)C2 ZINC001446921616 1184578619 /nfs/dbraw/zinc/57/86/19/1184578619.db2.gz GZNUMDCKCOMWJE-PINBIDLJSA-N 1 3 313.873 2.048 20 0 DEADHO CC[C@@H](F)CN1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001447437304 1184774683 /nfs/dbraw/zinc/77/46/83/1184774683.db2.gz GULOSAZEGNXLKS-WBVHZDCISA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@@H](F)C[NH2+]C1(C)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001447547706 1184807384 /nfs/dbraw/zinc/80/73/84/1184807384.db2.gz HRHJIACCBAMLGB-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCC2)CC1(C)C)N(C)C ZINC001447587389 1184819045 /nfs/dbraw/zinc/81/90/45/1184819045.db2.gz QNHUYTQEOUUODH-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCC2)CC1(C)C)N(C)C ZINC001447587389 1184819049 /nfs/dbraw/zinc/81/90/49/1184819049.db2.gz QNHUYTQEOUUODH-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CC1CCN(CC(=O)N2CCC[C@@H]2C[N@H+](C)CCCF)CC1 ZINC001447779241 1184871351 /nfs/dbraw/zinc/87/13/51/1184871351.db2.gz IXLWRMFLZJCHBA-MRXNPFEDSA-N 1 3 313.461 2.001 20 0 DEADHO CC1CCN(CC(=O)N2CCC[C@@H]2C[N@@H+](C)CCCF)CC1 ZINC001447779241 1184871356 /nfs/dbraw/zinc/87/13/56/1184871356.db2.gz IXLWRMFLZJCHBA-MRXNPFEDSA-N 1 3 313.461 2.001 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[N@H+](C)Cc1ccc(CF)cc1 ZINC001448147736 1185099022 /nfs/dbraw/zinc/09/90/22/1185099022.db2.gz ZCJIHMRABAMVPR-HNNXBMFYSA-N 1 3 323.456 2.433 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(CF)cc1 ZINC001448147736 1185099028 /nfs/dbraw/zinc/09/90/28/1185099028.db2.gz ZCJIHMRABAMVPR-HNNXBMFYSA-N 1 3 323.456 2.433 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC2CC2)CC1(C)C)N1CCCC1 ZINC001448398817 1185202960 /nfs/dbraw/zinc/20/29/60/1185202960.db2.gz QNPXSJFMONLSTK-IAGOWNOFSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CC2)CC1(C)C)N1CCCC1 ZINC001448398817 1185202972 /nfs/dbraw/zinc/20/29/72/1185202972.db2.gz QNPXSJFMONLSTK-IAGOWNOFSA-N 1 3 321.509 2.343 20 0 DEADHO C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)NC/C=C/Cl ZINC001448677453 1185358323 /nfs/dbraw/zinc/35/83/23/1185358323.db2.gz IYKXZFOGLLTDTG-JEELVDDXSA-N 1 3 301.862 2.050 20 0 DEADHO C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)NC/C=C/Cl ZINC001448677453 1185358329 /nfs/dbraw/zinc/35/83/29/1185358329.db2.gz IYKXZFOGLLTDTG-JEELVDDXSA-N 1 3 301.862 2.050 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC=C(Cl)Cl)[C@H]1C ZINC001448973198 1185467607 /nfs/dbraw/zinc/46/76/07/1185467607.db2.gz FHHRQYVMHDKXPD-NEPJUHHUSA-N 1 3 322.280 2.226 20 0 DEADHO C[C@@H]1[C@H]([NH2+]CC2CCC2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001448982222 1185470359 /nfs/dbraw/zinc/47/03/59/1185470359.db2.gz MLDUKWYYNNYHDU-GDBMZVCRSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[NH+]1CCN(c2ccc(CN(C)C3CC3)cn2)CC1 ZINC001164657674 719338729 /nfs/dbraw/zinc/33/87/29/719338729.db2.gz YANGZIPCARPOHY-UHFFFAOYSA-N 1 3 302.466 2.454 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001370519528 1149804069 /nfs/dbraw/zinc/80/40/69/1149804069.db2.gz QKXQRXHFOPGWEB-BRWVUGGUSA-N 1 3 321.509 2.390 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001370559368 1149809970 /nfs/dbraw/zinc/80/99/70/1149809970.db2.gz CNHUYFXIYHIRKH-KBRIMQKVSA-N 1 3 321.440 2.464 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NC1(C)CC[NH+](CCCF)CC1 ZINC001407128311 1164995105 /nfs/dbraw/zinc/99/51/05/1164995105.db2.gz PXTHDNQXQODTCG-GJZGRUSLSA-N 1 3 313.461 2.190 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]CC=C(C)C)C1 ZINC001333153135 1150008358 /nfs/dbraw/zinc/00/83/58/1150008358.db2.gz JDDDEQOAHWXFTP-JCYILVPMSA-N 1 3 307.482 2.406 20 0 DEADHO Cc1ccccc1C[NH2+]CCNC(=O)C(C)(C)N1CCCCC1 ZINC001127321707 782654108 /nfs/dbraw/zinc/65/41/08/782654108.db2.gz DLANAXNVUUXSNG-UHFFFAOYSA-N 1 3 317.477 2.465 20 0 DEADHO CC(C)CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001106664959 782839892 /nfs/dbraw/zinc/83/98/92/782839892.db2.gz DFBIQJRUWDESRN-BRWVUGGUSA-N 1 3 309.498 2.201 20 0 DEADHO CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)CC(C)(C)C1 ZINC001089381815 783060371 /nfs/dbraw/zinc/06/03/71/783060371.db2.gz OOLRJJRLFJMCIP-JKSUJKDBSA-N 1 3 309.498 2.486 20 0 DEADHO CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)CC(C)(C)C1 ZINC001089381815 783060374 /nfs/dbraw/zinc/06/03/74/783060374.db2.gz OOLRJJRLFJMCIP-JKSUJKDBSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CC[N@H+](CC2CCCC2)C3)C1 ZINC001072983414 790355920 /nfs/dbraw/zinc/35/59/20/790355920.db2.gz VQPACUFELWAUBN-INIZCTEOSA-N 1 3 319.493 2.053 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CC[N@@H+](CC2CCCC2)C3)C1 ZINC001072983414 790355933 /nfs/dbraw/zinc/35/59/33/790355933.db2.gz VQPACUFELWAUBN-INIZCTEOSA-N 1 3 319.493 2.053 20 0 DEADHO Clc1cc(-n2ccnc2[C@H]2CCC[NH2+]C2)c2c(n1)CNCC2 ZINC001167057294 776560783 /nfs/dbraw/zinc/56/07/83/776560783.db2.gz UGFUXAAVDFVYFD-NSHDSACASA-N 1 3 317.824 2.033 20 0 DEADHO CC[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC001075366746 776743348 /nfs/dbraw/zinc/74/33/48/776743348.db2.gz IIQNLLIGHDXUEN-HOTGVXAUSA-N 1 3 317.477 2.456 20 0 DEADHO CN(CC(=O)NCCC1(C[NH2+]CCCF)CC1)CC(C)(C)C ZINC001167240582 776792407 /nfs/dbraw/zinc/79/24/07/776792407.db2.gz OJJZYPYADGKJHE-UHFFFAOYSA-N 1 3 315.477 2.200 20 0 DEADHO CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC001075448330 777330793 /nfs/dbraw/zinc/33/07/93/777330793.db2.gz UCEFTYZGRLYWBK-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC001075448330 777330803 /nfs/dbraw/zinc/33/08/03/777330803.db2.gz UCEFTYZGRLYWBK-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)NCC1CC([NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001100684889 777728104 /nfs/dbraw/zinc/72/81/04/777728104.db2.gz POUJKECRLWBUTC-BCLQGDPASA-N 1 3 309.498 2.247 20 0 DEADHO N=C(Nc1ccn(Cc2cccc(F)c2)c(=O)c1)SCC[NH3+] ZINC001167915515 778821447 /nfs/dbraw/zinc/82/14/47/778821447.db2.gz IATNQGIQFXUDNK-UHFFFAOYSA-N 1 3 320.393 2.074 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CC1CCC1)C2 ZINC001073461899 790671730 /nfs/dbraw/zinc/67/17/30/790671730.db2.gz KMLRSBKHYMTFJA-QGZVFWFLSA-N 1 3 319.493 2.195 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CC1CCC1)C2 ZINC001073461899 790671737 /nfs/dbraw/zinc/67/17/37/790671737.db2.gz KMLRSBKHYMTFJA-QGZVFWFLSA-N 1 3 319.493 2.195 20 0 DEADHO C[NH+](C)CCN1CCN([C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171117828 790682968 /nfs/dbraw/zinc/68/29/68/790682968.db2.gz ZDRWHSVYBXMAMQ-GOSISDBHSA-N 1 3 321.896 2.377 20 0 DEADHO CN(C)C(=O)[C@@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167996107 779220689 /nfs/dbraw/zinc/22/06/89/779220689.db2.gz WTOGIHAPCIJYNO-HRBLRVMOSA-N 1 3 319.493 2.192 20 0 DEADHO CN(C)C(=O)[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167996107 779220695 /nfs/dbraw/zinc/22/06/95/779220695.db2.gz WTOGIHAPCIJYNO-HRBLRVMOSA-N 1 3 319.493 2.192 20 0 DEADHO C[C@H]1CC(NCCn2ccnn2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168007742 779280854 /nfs/dbraw/zinc/28/08/54/779280854.db2.gz UGABIZBUIOYSAF-HOTGVXAUSA-N 1 3 313.449 2.309 20 0 DEADHO C[C@H]1CC(NCCC(=O)N(C)C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168008253 779287479 /nfs/dbraw/zinc/28/74/79/779287479.db2.gz DIBMMKJOWPGHBA-HOTGVXAUSA-N 1 3 317.477 2.496 20 0 DEADHO CCC(CO)(CO)NC1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168015580 779344856 /nfs/dbraw/zinc/34/48/56/779344856.db2.gz RNMHZOMBZWXGBB-HOTGVXAUSA-N 1 3 320.477 2.151 20 0 DEADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)[C@H]1CC ZINC001087672558 779404137 /nfs/dbraw/zinc/40/41/37/779404137.db2.gz ZEYSJKVLZZJDSQ-BBWFWOEESA-N 1 3 307.482 2.240 20 0 DEADHO CCC[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)[C@H]1CC ZINC001087672558 779404140 /nfs/dbraw/zinc/40/41/40/779404140.db2.gz ZEYSJKVLZZJDSQ-BBWFWOEESA-N 1 3 307.482 2.240 20 0 DEADHO CN(CC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CC2)C12CCC2)CC(C)(C)C ZINC001203425784 779865181 /nfs/dbraw/zinc/86/51/81/779865181.db2.gz DGVWIYPNCLWAQI-HZPDHXFCSA-N 1 3 321.509 2.391 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCCC[C@@H]([NH2+]CC2CCC2)C1 ZINC001088390532 780062307 /nfs/dbraw/zinc/06/23/07/780062307.db2.gz PJHOHBAXZQOKLL-OAHLLOKOSA-N 1 3 304.438 2.113 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C2CCCC2)CC[N@@H+]1CC1CC1 ZINC001088622519 780661502 /nfs/dbraw/zinc/66/15/02/780661502.db2.gz ZWOMEHRTGPSEPJ-FHLIZLRMSA-N 1 3 319.493 2.382 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C2CCCC2)CC[N@H+]1CC1CC1 ZINC001088622519 780661508 /nfs/dbraw/zinc/66/15/08/780661508.db2.gz ZWOMEHRTGPSEPJ-FHLIZLRMSA-N 1 3 319.493 2.382 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(C)C)[C@@H]1C ZINC001088692937 780828524 /nfs/dbraw/zinc/82/85/24/780828524.db2.gz FFBAHAQKWRUYSU-IKGGRYGDSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(C)C)[C@@H]1C ZINC001088692937 780828532 /nfs/dbraw/zinc/82/85/32/780828532.db2.gz FFBAHAQKWRUYSU-IKGGRYGDSA-N 1 3 309.498 2.342 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CCCF)CC1 ZINC001168335420 780851198 /nfs/dbraw/zinc/85/11/98/780851198.db2.gz IGCHEAAIYVKPOR-HNNXBMFYSA-N 1 3 313.461 2.097 20 0 DEADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(C/C=C/Cl)C[C@H]1C ZINC001102101092 780921415 /nfs/dbraw/zinc/92/14/15/780921415.db2.gz MRISHDQYLSGQJO-GODNBWANSA-N 1 3 315.889 2.153 20 0 DEADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(C/C=C/Cl)C[C@H]1C ZINC001102101092 780921420 /nfs/dbraw/zinc/92/14/20/780921420.db2.gz MRISHDQYLSGQJO-GODNBWANSA-N 1 3 315.889 2.153 20 0 DEADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]CC2CC(C)(C)C2)C1 ZINC001101035910 780954578 /nfs/dbraw/zinc/95/45/78/780954578.db2.gz DMXOKKYETJBKJA-UHFFFAOYSA-N 1 3 309.498 2.247 20 0 DEADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]Cc2ccccc2)C1 ZINC001101039533 780964473 /nfs/dbraw/zinc/96/44/73/780964473.db2.gz QOJJPJKVZPYLSX-UHFFFAOYSA-N 1 3 303.450 2.011 20 0 DEADHO c1ccc(N2CCC[N@@H+](C3CCN(CC4CC4)CC3)CC2)nc1 ZINC001168373668 781663468 /nfs/dbraw/zinc/66/34/68/781663468.db2.gz SFPDSVWQFJPGSK-UHFFFAOYSA-N 1 3 314.477 2.468 20 0 DEADHO c1ccc(N2CCC[N@H+](C3CCN(CC4CC4)CC3)CC2)nc1 ZINC001168373668 781663474 /nfs/dbraw/zinc/66/34/74/781663474.db2.gz SFPDSVWQFJPGSK-UHFFFAOYSA-N 1 3 314.477 2.468 20 0 DEADHO F[C@H]1CN(C2CC[NH+](CC3CC3)CC2)CC[C@H]1N1CCCC1 ZINC001168398757 781794273 /nfs/dbraw/zinc/79/42/73/781794273.db2.gz VFGHWWGTBLZDRJ-ZWKOTPCHSA-N 1 3 309.473 2.369 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCCCCF)[C@H](C)C1 ZINC001106910523 783417814 /nfs/dbraw/zinc/41/78/14/783417814.db2.gz BTTRRJWRXYVTNV-HZPDHXFCSA-N 1 3 315.477 2.152 20 0 DEADHO CC(C)[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN(C)C2CCC2)C1 ZINC001089820012 783479539 /nfs/dbraw/zinc/47/95/39/783479539.db2.gz KAGKTSCYWAAPPJ-DKIMLUQUSA-N 1 3 319.493 2.048 20 0 DEADHO CC(C)[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN(C)C2CCC2)C1 ZINC001089820012 783479541 /nfs/dbraw/zinc/47/95/41/783479541.db2.gz KAGKTSCYWAAPPJ-DKIMLUQUSA-N 1 3 319.493 2.048 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CC1 ZINC001085589023 783864246 /nfs/dbraw/zinc/86/42/46/783864246.db2.gz BBQVFAOHXGVTFB-IAGOWNOFSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC1CC1 ZINC001085589023 783864255 /nfs/dbraw/zinc/86/42/55/783864255.db2.gz BBQVFAOHXGVTFB-IAGOWNOFSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CCN1CCC1CC1 ZINC001085589023 783864258 /nfs/dbraw/zinc/86/42/58/783864258.db2.gz BBQVFAOHXGVTFB-IAGOWNOFSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CCN1CCC1CC1 ZINC001085589023 783864265 /nfs/dbraw/zinc/86/42/65/783864265.db2.gz BBQVFAOHXGVTFB-IAGOWNOFSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1CC1 ZINC001085589024 783864702 /nfs/dbraw/zinc/86/47/02/783864702.db2.gz BBQVFAOHXGVTFB-IRXDYDNUSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1CC1 ZINC001085589024 783864708 /nfs/dbraw/zinc/86/47/08/783864708.db2.gz BBQVFAOHXGVTFB-IRXDYDNUSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1CCC1CC1 ZINC001085589024 783864718 /nfs/dbraw/zinc/86/47/18/783864718.db2.gz BBQVFAOHXGVTFB-IRXDYDNUSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1CCC1CC1 ZINC001085589024 783864723 /nfs/dbraw/zinc/86/47/23/783864723.db2.gz BBQVFAOHXGVTFB-IRXDYDNUSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCC1 ZINC001085589370 783866775 /nfs/dbraw/zinc/86/67/75/783866775.db2.gz KIZMVILQEBTIQL-DLBZAZTESA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCC1 ZINC001085589370 783866783 /nfs/dbraw/zinc/86/67/83/783866783.db2.gz KIZMVILQEBTIQL-DLBZAZTESA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1CC1CC1 ZINC001085855428 784148908 /nfs/dbraw/zinc/14/89/08/784148908.db2.gz YKPDOGHCFPLKOZ-DLBZAZTESA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1CC1CC1 ZINC001085855428 784148914 /nfs/dbraw/zinc/14/89/14/784148914.db2.gz YKPDOGHCFPLKOZ-DLBZAZTESA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CC1 ZINC001085855428 784148921 /nfs/dbraw/zinc/14/89/21/784148921.db2.gz YKPDOGHCFPLKOZ-DLBZAZTESA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CC1 ZINC001085855428 784148927 /nfs/dbraw/zinc/14/89/27/784148927.db2.gz YKPDOGHCFPLKOZ-DLBZAZTESA-N 1 3 307.482 2.192 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC000967923999 784177739 /nfs/dbraw/zinc/17/77/39/784177739.db2.gz DMBKHYDYNWYNPN-SJORKVTESA-N 1 3 319.493 2.242 20 0 DEADHO CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968418487 784374155 /nfs/dbraw/zinc/37/41/55/784374155.db2.gz LFZNWQOCOXWLKI-PBHICJAKSA-N 1 3 303.450 2.208 20 0 DEADHO CCC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001086278113 784539858 /nfs/dbraw/zinc/53/98/58/784539858.db2.gz HZICNYGNJMTDNL-FZNQNYSPSA-N 1 3 303.450 2.256 20 0 DEADHO CC(C)[NH2+][C@H]1C[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001086278259 784540019 /nfs/dbraw/zinc/54/00/19/784540019.db2.gz OIRXRBMBOAEECC-WOVMCDHWSA-N 1 3 303.450 2.255 20 0 DEADHO CC1CCC(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC000968926981 784653486 /nfs/dbraw/zinc/65/34/86/784653486.db2.gz PNEGKTAUICQLAO-OFLPRAFFSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169081715 785036307 /nfs/dbraw/zinc/03/63/07/785036307.db2.gz VIBCMWPIYDTIBP-ARKGTOAJSA-N 1 3 323.481 2.457 20 0 DEADHO C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169081715 785036312 /nfs/dbraw/zinc/03/63/12/785036312.db2.gz VIBCMWPIYDTIBP-ARKGTOAJSA-N 1 3 323.481 2.457 20 0 DEADHO COc1ccnc(O[C@@H]2CC[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)N4C)C2)c1 ZINC001169153202 785067196 /nfs/dbraw/zinc/06/71/96/785067196.db2.gz GTXZRRKLAIDFMR-JYYAWHABSA-N 1 3 317.433 2.169 20 0 DEADHO COc1ccnc(O[C@@H]2CC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)N4C)C2)c1 ZINC001169153202 785067203 /nfs/dbraw/zinc/06/72/03/785067203.db2.gz GTXZRRKLAIDFMR-JYYAWHABSA-N 1 3 317.433 2.169 20 0 DEADHO CCc1nc(C2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)N4C)CC2)no1 ZINC001169153250 785067380 /nfs/dbraw/zinc/06/73/80/785067380.db2.gz IHPZWHJBYQHPLF-QDMKHBRRSA-N 1 3 304.438 2.437 20 0 DEADHO C[C@H](CCCC[NH2+]C/C=C/Cl)NC(=O)C1(N(C)C)CCC1 ZINC001171236485 791081705 /nfs/dbraw/zinc/08/17/05/791081705.db2.gz MQOIBQITNDVHAQ-DPQIITEBSA-N 1 3 315.889 2.488 20 0 DEADHO C[C@@H](C(=O)N[C@H]1CCCN(CCCF)C1)[NH+]1CCCCCC1 ZINC001008749457 785294237 /nfs/dbraw/zinc/29/42/37/785294237.db2.gz SONFOLUIPZQJOC-HOTGVXAUSA-N 1 3 313.461 2.191 20 0 DEADHO CN(C)C1(C(=O)NCC[NH2+][C@H]2CCc3c2cccc3F)CCC1 ZINC001129362751 785529661 /nfs/dbraw/zinc/52/96/61/785529661.db2.gz COMUDULVRXZWKI-INIZCTEOSA-N 1 3 319.424 2.003 20 0 DEADHO CN(CCN(C)C(=O)C1CCC(C[NH3+])CC1)Cc1ccccc1 ZINC001161161297 786398006 /nfs/dbraw/zinc/39/80/06/786398006.db2.gz QRCDWFLEGGZNEB-UHFFFAOYSA-N 1 3 317.477 2.342 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001014405372 786572909 /nfs/dbraw/zinc/57/29/09/786572909.db2.gz GALRJSSMYPZJGQ-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001014405372 786572915 /nfs/dbraw/zinc/57/29/15/786572915.db2.gz GALRJSSMYPZJGQ-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)[C@@H](C2CC2)N(C)C)c1 ZINC001129444347 787211788 /nfs/dbraw/zinc/21/17/88/787211788.db2.gz RTDFQGMTNBBFSH-CRAIPNDOSA-N 1 3 317.477 2.410 20 0 DEADHO Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)[C@H](C2CC2)N(C)C)c1 ZINC001129444350 787211801 /nfs/dbraw/zinc/21/18/01/787211801.db2.gz RTDFQGMTNBBFSH-YJBOKZPZSA-N 1 3 317.477 2.410 20 0 DEADHO Cc1ccc(CNCCNC(=O)[C@@H](C2CC2)[NH+](C)C)c(Cl)c1 ZINC001129443026 787215002 /nfs/dbraw/zinc/21/50/02/787215002.db2.gz GTQXDCVPYIOIPJ-MRXNPFEDSA-N 1 3 323.868 2.194 20 0 DEADHO Cc1cc(CNCCNC(=O)CC[C@H]2CCC[N@H+]2C)cs1 ZINC001129842138 787250075 /nfs/dbraw/zinc/25/00/75/787250075.db2.gz UUAHNURXXBSQCR-OAHLLOKOSA-N 1 3 309.479 2.137 20 0 DEADHO Cc1cc(CNCCNC(=O)CC[C@H]2CCC[N@@H+]2C)cs1 ZINC001129842138 787250081 /nfs/dbraw/zinc/25/00/81/787250081.db2.gz UUAHNURXXBSQCR-OAHLLOKOSA-N 1 3 309.479 2.137 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[NH2+][C@@H]1CCc2c1cccc2F)N(C)C ZINC001129949288 787262776 /nfs/dbraw/zinc/26/27/76/787262776.db2.gz AOWUXKZYLKIXQX-SJORKVTESA-N 1 3 321.440 2.105 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[NH2+]Cc1ccccc1C1CC1)N(C)C ZINC001129949416 787262833 /nfs/dbraw/zinc/26/28/33/787262833.db2.gz CSXASFJKTZJITO-SFHVURJKSA-N 1 3 317.477 2.356 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+]Cc1ccc(C(C)C)nc1C)N(C)C ZINC001130197423 787312941 /nfs/dbraw/zinc/31/29/41/787312941.db2.gz IJWQXWCCOXXYPN-QGZVFWFLSA-N 1 3 320.481 2.059 20 0 DEADHO CCCC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1C ZINC001132894227 788220570 /nfs/dbraw/zinc/22/05/70/788220570.db2.gz ZHOPMKFYKOYQRD-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCCF)C1 ZINC001132938764 788232458 /nfs/dbraw/zinc/23/24/58/788232458.db2.gz YZJVNIKKBWSPCL-CABCVRRESA-N 1 3 315.477 2.151 20 0 DEADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)N1CCCCCC1)C2 ZINC001097972099 788302930 /nfs/dbraw/zinc/30/29/30/788302930.db2.gz OFIULYPHIBJPNM-HZMVEIRTSA-N 1 3 307.482 2.381 20 0 DEADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)N1CCCCCC1)C2 ZINC001097972099 788302938 /nfs/dbraw/zinc/30/29/38/788302938.db2.gz OFIULYPHIBJPNM-HZMVEIRTSA-N 1 3 307.482 2.381 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]Cc1ccc(Cl)cc1 ZINC001133819500 788618227 /nfs/dbraw/zinc/61/82/27/788618227.db2.gz DQRZAMZCWLLUOC-ZDUSSCGKSA-N 1 3 309.841 2.030 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCC[NH2+][C@H]1CCCc2ccccc21 ZINC001133823433 788620308 /nfs/dbraw/zinc/62/03/08/788620308.db2.gz GGKUUASKZKIYSI-YJBOKZPZSA-N 1 3 315.461 2.254 20 0 DEADHO C[C@@H]([NH2+]CCNC(=O)CN1CCC[C@@H]1C)c1ccc(F)cc1 ZINC001133834009 788628519 /nfs/dbraw/zinc/62/85/19/788628519.db2.gz LNFBJQAXZVIMKS-UONOGXRCSA-N 1 3 307.413 2.077 20 0 DEADHO CC[C@H]([NH2+]CCNC(=O)CN1CC[C@H](C)C1)c1ccc(F)cc1 ZINC001133851009 788633368 /nfs/dbraw/zinc/63/33/68/788633368.db2.gz UQRPBYAXEXZYCD-YOEHRIQHSA-N 1 3 321.440 2.324 20 0 DEADHO CC1(C)CCN(CC(=O)NCC[NH2+]C/C=C\c2ccccc2)C1 ZINC001133873222 788652521 /nfs/dbraw/zinc/65/25/21/788652521.db2.gz QXTIAXDGHQFPLQ-TWGQIWQCSA-N 1 3 315.461 2.138 20 0 DEADHO Cc1cccc([C@H](C)[NH2+]CCNC(=O)CN2CCC(C)(C)C2)c1 ZINC001133896072 788662003 /nfs/dbraw/zinc/66/20/03/788662003.db2.gz BZICSUSSFSGAOD-INIZCTEOSA-N 1 3 317.477 2.494 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+]CC1=CCCCC1 ZINC001134762735 789067749 /nfs/dbraw/zinc/06/77/49/789067749.db2.gz DWIYLCUSDUQGMM-QGZVFWFLSA-N 1 3 307.482 2.456 20 0 DEADHO Cc1nc(C)c(CN[C@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C)o1 ZINC001135314691 789285743 /nfs/dbraw/zinc/28/57/43/789285743.db2.gz FNELZBCDIWPZBD-CHWSQXEVSA-N 1 3 324.469 2.006 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001135511224 789380357 /nfs/dbraw/zinc/38/03/57/789380357.db2.gz MSYUXPOKDIQSBC-HNNXBMFYSA-N 1 3 317.477 2.284 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCCCF ZINC001135747427 789476774 /nfs/dbraw/zinc/47/67/74/789476774.db2.gz QDYXEWCGTDFGJZ-HUUCEWRRSA-N 1 3 303.466 2.341 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cnccc1C ZINC001135976459 789587575 /nfs/dbraw/zinc/58/75/75/789587575.db2.gz JXEXPBCOBFOGDN-HOTGVXAUSA-N 1 3 320.481 2.105 20 0 DEADHO C[C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C[N@@H+]1CCCF ZINC001071739216 789899343 /nfs/dbraw/zinc/89/93/43/789899343.db2.gz PJNQZBGKRZRGNH-GJZGRUSLSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C[N@H+]1CCCF ZINC001071739216 789899349 /nfs/dbraw/zinc/89/93/49/789899349.db2.gz PJNQZBGKRZRGNH-GJZGRUSLSA-N 1 3 313.461 2.190 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccsc2)[C@@H]1C)N(C)C ZINC001074709423 791270908 /nfs/dbraw/zinc/27/09/08/791270908.db2.gz BXWNNMUORNGAOA-AEGPPILISA-N 1 3 309.479 2.167 20 0 DEADHO CC[N@H+](C)CCC(=O)NCCNCc1ccc(Cl)c(F)c1 ZINC001146719972 791348943 /nfs/dbraw/zinc/34/89/43/791348943.db2.gz YUTHLTDBJQFTAL-UHFFFAOYSA-N 1 3 315.820 2.027 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCCNCc1ccc(Cl)c(F)c1 ZINC001146719972 791348950 /nfs/dbraw/zinc/34/89/50/791348950.db2.gz YUTHLTDBJQFTAL-UHFFFAOYSA-N 1 3 315.820 2.027 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCNC/C=C\Cl ZINC001147359569 791515483 /nfs/dbraw/zinc/51/54/83/791515483.db2.gz SMWAQVZITHPAMH-IQCBXXCUSA-N 1 3 301.862 2.099 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCNC/C=C\Cl ZINC001147359569 791515487 /nfs/dbraw/zinc/51/54/87/791515487.db2.gz SMWAQVZITHPAMH-IQCBXXCUSA-N 1 3 301.862 2.099 20 0 DEADHO CCCCC[N@@H+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001147724210 791606060 /nfs/dbraw/zinc/60/60/60/791606060.db2.gz HOIHQPPSHNNTQB-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CCCCC[N@H+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001147724210 791606067 /nfs/dbraw/zinc/60/60/67/791606067.db2.gz HOIHQPPSHNNTQB-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](CCCC(C)C)C2)N(C)C ZINC001148292591 791730841 /nfs/dbraw/zinc/73/08/41/791730841.db2.gz LUIAFKNBQIIYLH-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CCCC(C)C)C2)N(C)C ZINC001148292591 791730846 /nfs/dbraw/zinc/73/08/46/791730846.db2.gz LUIAFKNBQIIYLH-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCC)C[C@@]2(C)C1 ZINC001091716216 791742521 /nfs/dbraw/zinc/74/25/21/791742521.db2.gz OJMKKSMLXCZTDZ-NUJGCVRESA-N 1 3 307.482 2.051 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCC)C[C@@]2(C)C1 ZINC001091716216 791742527 /nfs/dbraw/zinc/74/25/27/791742527.db2.gz OJMKKSMLXCZTDZ-NUJGCVRESA-N 1 3 307.482 2.051 20 0 DEADHO CC/C=C\CC[N@H+]1CCC2(CN(C(=O)CN(C)CCC)C2)C1 ZINC001148651498 791781273 /nfs/dbraw/zinc/78/12/73/791781273.db2.gz GZGPUSLMHZGSHI-SREVYHEPSA-N 1 3 307.482 2.219 20 0 DEADHO CC/C=C\CC[N@@H+]1CCC2(CN(C(=O)CN(C)CCC)C2)C1 ZINC001148651498 791781277 /nfs/dbraw/zinc/78/12/77/791781277.db2.gz GZGPUSLMHZGSHI-SREVYHEPSA-N 1 3 307.482 2.219 20 0 DEADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1)C2 ZINC001148838583 791808878 /nfs/dbraw/zinc/80/88/78/791808878.db2.gz AWRXAKAVWKWZME-UHFFFAOYSA-N 1 3 315.461 2.061 20 0 DEADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@@H+](Cc1ccccc1)C2 ZINC001148838583 791808884 /nfs/dbraw/zinc/80/88/84/791808884.db2.gz AWRXAKAVWKWZME-UHFFFAOYSA-N 1 3 315.461 2.061 20 0 DEADHO CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@]2(C)C1 ZINC001092299984 791971920 /nfs/dbraw/zinc/97/19/20/791971920.db2.gz MOJXBTHCLBMBDP-APWZRJJASA-N 1 3 315.461 2.162 20 0 DEADHO CC[N@H+]1C[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@]2(C)C1 ZINC001092299984 791971926 /nfs/dbraw/zinc/97/19/26/791971926.db2.gz MOJXBTHCLBMBDP-APWZRJJASA-N 1 3 315.461 2.162 20 0 DEADHO CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111467699 792112813 /nfs/dbraw/zinc/11/28/13/792112813.db2.gz SIBKMOJDPYVLNV-WCXIOVBPSA-N 1 3 307.482 2.238 20 0 DEADHO CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001099434376 792206087 /nfs/dbraw/zinc/20/60/87/792206087.db2.gz MLPCUTKKLICHBL-JZXOWHBKSA-N 1 3 307.482 2.097 20 0 DEADHO CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCCN1CC)C2 ZINC001099540228 792234944 /nfs/dbraw/zinc/23/49/44/792234944.db2.gz SVNRLJLHIQZMLQ-BQFCYCMXSA-N 1 3 307.482 2.099 20 0 DEADHO CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001093360684 792340891 /nfs/dbraw/zinc/34/08/91/792340891.db2.gz DCHNSSFXBZICFV-IAGOWNOFSA-N 1 3 319.493 2.194 20 0 DEADHO CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001093360684 792340903 /nfs/dbraw/zinc/34/09/03/792340903.db2.gz DCHNSSFXBZICFV-IAGOWNOFSA-N 1 3 319.493 2.194 20 0 DEADHO CC/C=C\CC[NH2+]C1CC(CNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001100407777 792633761 /nfs/dbraw/zinc/63/37/61/792633761.db2.gz JAUONPVYDXPJQW-RXZYDFSXSA-N 1 3 307.482 2.167 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CC2CCCC2)[C@H](C)C1)N(C)C ZINC001094020738 792690306 /nfs/dbraw/zinc/69/03/06/792690306.db2.gz YQINDWCWMWBJOC-KBAYOESNSA-N 1 3 323.525 2.447 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC)CC2 ZINC001094430873 792916148 /nfs/dbraw/zinc/91/61/48/792916148.db2.gz YLEZAQVVJIULPE-JFIYKMOQSA-N 1 3 307.482 2.242 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC)CC2 ZINC001094430873 792916158 /nfs/dbraw/zinc/91/61/58/792916158.db2.gz YLEZAQVVJIULPE-JFIYKMOQSA-N 1 3 307.482 2.242 20 0 DEADHO CCC/C=C\CC[NH2+]C1CC(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001100918123 792918770 /nfs/dbraw/zinc/91/87/70/792918770.db2.gz FGMUGHAAWYMLCK-WAYWQWQTSA-N 1 3 318.465 2.491 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]CCCCC(F)(F)F ZINC001171763322 793198626 /nfs/dbraw/zinc/19/86/26/793198626.db2.gz YYUCVAOVMYSNHA-UHFFFAOYSA-N 1 3 311.392 2.157 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001171769687 793200178 /nfs/dbraw/zinc/20/01/78/793200178.db2.gz DMVKKVWVEGXVMJ-CQSZACIVSA-N 1 3 309.429 2.324 20 0 DEADHO C[C@H](CN)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171877278 793225258 /nfs/dbraw/zinc/22/52/58/793225258.db2.gz LNSHVBVXUQVDDH-NVXWUHKLSA-N 1 3 303.450 2.208 20 0 DEADHO C[C@H](CN)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171877278 793225265 /nfs/dbraw/zinc/22/52/65/793225265.db2.gz LNSHVBVXUQVDDH-NVXWUHKLSA-N 1 3 303.450 2.208 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[C@H](Oc3cnccn3)C1)C2 ZINC001172134066 793324187 /nfs/dbraw/zinc/32/41/87/793324187.db2.gz WTAWEEFKLKAUII-HZMVEIRTSA-N 1 3 316.449 2.335 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[C@H](Oc3cnccn3)C1)C2 ZINC001172134066 793324198 /nfs/dbraw/zinc/32/41/98/793324198.db2.gz WTAWEEFKLKAUII-HZMVEIRTSA-N 1 3 316.449 2.335 20 0 DEADHO COc1cccc([C@H](CO)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)c1 ZINC001172107404 793331648 /nfs/dbraw/zinc/33/16/48/793331648.db2.gz XBSICLFFAACZDH-CUSZFKRNSA-N 1 3 304.434 2.334 20 0 DEADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC(=O)NCc1ccc(F)cc1)C2 ZINC001172116236 793338780 /nfs/dbraw/zinc/33/87/80/793338780.db2.gz YTKCQCLMHSOPSI-OSYLJGHBSA-N 1 3 319.424 2.047 20 0 DEADHO COCCC[NH+]1CCC(n2nc(CN)c3ccccc32)CC1 ZINC001172244564 793384409 /nfs/dbraw/zinc/38/44/09/793384409.db2.gz FJUQYJNXRNMMMH-UHFFFAOYSA-N 1 3 302.422 2.168 20 0 DEADHO CCOC(=O)CC1([NH3+])CCN([C@@H](C)CCO[C@@H](C)CC)CC1 ZINC001172337004 793410587 /nfs/dbraw/zinc/41/05/87/793410587.db2.gz JAILPNAOGWDJGP-GJZGRUSLSA-N 1 3 314.470 2.327 20 0 DEADHO CC(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C1CCC1)C2 ZINC001094937279 793470696 /nfs/dbraw/zinc/47/06/96/793470696.db2.gz ITZSUEDFSMIXIK-UXLLHSPISA-N 1 3 307.482 2.096 20 0 DEADHO [NH3+][C@H]1CCC[C@H](N[C@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172665395 793473424 /nfs/dbraw/zinc/47/34/24/793473424.db2.gz ZFDMXIIKLZRTQX-ULQDDVLXSA-N 1 3 301.434 2.037 20 0 DEADHO C[C@@H]1C[N@H+](CC2CCC2)C[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001102213726 793531502 /nfs/dbraw/zinc/53/15/02/793531502.db2.gz QCJIOTODJUDQOI-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001102213726 793531506 /nfs/dbraw/zinc/53/15/06/793531506.db2.gz QCJIOTODJUDQOI-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C)N(C)C ZINC001102330187 793578069 /nfs/dbraw/zinc/57/80/69/793578069.db2.gz HVPSTARPGPGULP-DJIMGWMZSA-N 1 3 309.498 2.057 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C)N(C)C ZINC001102330187 793578072 /nfs/dbraw/zinc/57/80/72/793578072.db2.gz HVPSTARPGPGULP-DJIMGWMZSA-N 1 3 309.498 2.057 20 0 DEADHO C[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1CNC(=O)CN1CCC[C@@H]1C ZINC001102366600 793588124 /nfs/dbraw/zinc/58/81/24/793588124.db2.gz KWPSMUWBPHWRCU-SOLBZPMBSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1CNC(=O)CN1CCC[C@@H]1C ZINC001102366600 793588129 /nfs/dbraw/zinc/58/81/29/793588129.db2.gz KWPSMUWBPHWRCU-SOLBZPMBSA-N 1 3 321.509 2.345 20 0 DEADHO CCCCC[N@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369631 793589202 /nfs/dbraw/zinc/58/92/02/793589202.db2.gz ASNUNOBMEOMSPQ-GVDBMIGSSA-N 1 3 309.498 2.203 20 0 DEADHO CCCCC[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369631 793589210 /nfs/dbraw/zinc/58/92/10/793589210.db2.gz ASNUNOBMEOMSPQ-GVDBMIGSSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)N1CCN(CC[NH2+]C2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173474162 793732707 /nfs/dbraw/zinc/73/27/07/793732707.db2.gz PRCXUDFJOOHIQK-UHFFFAOYSA-N 1 3 323.431 2.048 20 0 DEADHO CC(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001103435929 794093013 /nfs/dbraw/zinc/09/30/13/794093013.db2.gz DRNRELXUYGZBCX-RCCFBDPRSA-N 1 3 323.525 2.449 20 0 DEADHO CC(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001103435929 794093019 /nfs/dbraw/zinc/09/30/19/794093019.db2.gz DRNRELXUYGZBCX-RCCFBDPRSA-N 1 3 323.525 2.449 20 0 DEADHO C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)CN1CCC(C)(C)C1 ZINC001175272156 794175315 /nfs/dbraw/zinc/17/53/15/794175315.db2.gz HVNWWJACEGJXMG-HNNXBMFYSA-N 1 3 309.498 2.393 20 0 DEADHO CC[C@@H](F)C[NH2+]CCCC[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001176350375 794411840 /nfs/dbraw/zinc/41/18/40/794411840.db2.gz CHUISRUVLHPLKO-GXTWGEPZSA-N 1 3 312.433 2.273 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1cccnc1 ZINC001176753760 794497247 /nfs/dbraw/zinc/49/72/47/794497247.db2.gz MLBBUTZKWQMEMU-INIZCTEOSA-N 1 3 320.481 2.186 20 0 DEADHO CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001178356214 794907795 /nfs/dbraw/zinc/90/77/95/794907795.db2.gz JDPWSNCRTZPDCE-QFVQOVQKSA-N 1 3 307.482 2.406 20 0 DEADHO CCN(CC)CC(=O)NCC1([NH2+]CCCF)CCCCC1 ZINC001115777412 794916833 /nfs/dbraw/zinc/91/68/33/794916833.db2.gz YLZUUHKDCKQQGN-UHFFFAOYSA-N 1 3 301.450 2.097 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CCCC2CCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001179617724 795144007 /nfs/dbraw/zinc/14/40/07/795144007.db2.gz MXYAXUYVAPSAHJ-BBRMVZONSA-N 1 3 304.438 2.112 20 0 DEADHO CC(C)=CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC001179779490 795169699 /nfs/dbraw/zinc/16/96/99/795169699.db2.gz QFYMELSBVSOLNA-IRXDYDNUSA-N 1 3 307.482 2.264 20 0 DEADHO CCCCN(CC)[C@@H](C(=O)N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC001182234010 795626895 /nfs/dbraw/zinc/62/68/95/795626895.db2.gz BFNNAVCSTOSEPO-DLBZAZTESA-N 1 3 303.450 2.328 20 0 DEADHO CC(C)CC[NH2+]C1CC2(CC(NC(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001121772905 795685517 /nfs/dbraw/zinc/68/55/17/795685517.db2.gz KKQBFDAKPIZCHG-KZIPQDEESA-N 1 3 321.509 2.391 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCCc2ccccc2)C1)N(C)C ZINC001183592216 795899484 /nfs/dbraw/zinc/89/94/84/795899484.db2.gz ORWVVCKWBGQMRK-QZTJIDSGSA-N 1 3 317.477 2.150 20 0 DEADHO CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001185753253 796316260 /nfs/dbraw/zinc/31/62/60/796316260.db2.gz WANZYOZHOUGKKC-IAGOWNOFSA-N 1 3 309.498 2.367 20 0 DEADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@H](C)CCc1ccccc1 ZINC001186033939 796351910 /nfs/dbraw/zinc/35/19/10/796351910.db2.gz MGHZBRVEHAUECY-OAHLLOKOSA-N 1 3 318.465 2.319 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC001186486634 796407802 /nfs/dbraw/zinc/40/78/02/796407802.db2.gz CELGPQCZXASDMG-SJLPKXTDSA-N 1 3 315.461 2.206 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001186496299 796408417 /nfs/dbraw/zinc/40/84/17/796408417.db2.gz CTNAPCREMJLYQZ-MRXNPFEDSA-N 1 3 321.440 2.166 20 0 DEADHO CN1CC[C@]2(CC[N@H+](Cc3cc(=O)n(C)c4ccccc34)C2)C1 ZINC001139759749 796422458 /nfs/dbraw/zinc/42/24/58/796422458.db2.gz CDAFXRSOBPMWJM-IBGZPJMESA-N 1 3 311.429 2.066 20 0 DEADHO CN1CC[C@]2(CC[N@@H+](Cc3cc(=O)n(C)c4ccccc34)C2)C1 ZINC001139759749 796422461 /nfs/dbraw/zinc/42/24/61/796422461.db2.gz CDAFXRSOBPMWJM-IBGZPJMESA-N 1 3 311.429 2.066 20 0 DEADHO CCN(Cc1n[nH]c2ccc(OC)cc21)C1CC[NH+](C)CC1 ZINC001140068457 796473274 /nfs/dbraw/zinc/47/32/74/796473274.db2.gz LMGOSDSEMOPPKR-UHFFFAOYSA-N 1 3 302.422 2.488 20 0 DEADHO CCN(CC)CC(=O)N1CCC([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001203009957 796487717 /nfs/dbraw/zinc/48/77/17/796487717.db2.gz CTJDLNOJGSELJJ-IXDOHACOSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@@H](F)C[NH2+][C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001188118288 796628577 /nfs/dbraw/zinc/62/85/77/796628577.db2.gz SDJIRSLTYNIFGP-HZPDHXFCSA-N 1 3 321.440 2.300 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001188138804 796631054 /nfs/dbraw/zinc/63/10/54/796631054.db2.gz CTZKMAJVVBFCCO-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001188158431 796641209 /nfs/dbraw/zinc/64/12/09/796641209.db2.gz OCCKKELYXPAAAN-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CCc1cccs1 ZINC001161226642 796816737 /nfs/dbraw/zinc/81/67/37/796816737.db2.gz MGAJPZCOBPJVPT-UHFFFAOYSA-N 1 3 311.495 2.117 20 0 DEADHO COc1cc(CN2CCCC[C@H](C[NH3+])C2)ccc1-n1ccnc1 ZINC001206641012 797041385 /nfs/dbraw/zinc/04/13/85/797041385.db2.gz QYJAWFZZKIBPEP-MRXNPFEDSA-N 1 3 314.433 2.442 20 0 DEADHO CN(CC(=O)N1CC[C@@H]([N@H+](C)CCCCCF)C1)C1CCC1 ZINC001190675358 797056292 /nfs/dbraw/zinc/05/62/92/797056292.db2.gz LANOJNANAAICFF-MRXNPFEDSA-N 1 3 313.461 2.143 20 0 DEADHO CN(CC(=O)N1CC[C@@H]([N@@H+](C)CCCCCF)C1)C1CCC1 ZINC001190675358 797056303 /nfs/dbraw/zinc/05/63/03/797056303.db2.gz LANOJNANAAICFF-MRXNPFEDSA-N 1 3 313.461 2.143 20 0 DEADHO CN(C/C=C/Cl)[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191162991 797149106 /nfs/dbraw/zinc/14/91/06/797149106.db2.gz SSCSSXRCRUKBHT-IWZWCOEHSA-N 1 3 318.808 2.233 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]CCCc1ccsc1 ZINC001152452151 797189398 /nfs/dbraw/zinc/18/93/98/797189398.db2.gz UZFXWTZDSJDTKP-INIZCTEOSA-N 1 3 323.506 2.261 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]CCc1ccc(C)cc1 ZINC001152452290 797189555 /nfs/dbraw/zinc/18/95/55/797189555.db2.gz ZPFSHWWFNAXGQL-GOSISDBHSA-N 1 3 317.477 2.118 20 0 DEADHO CC(C)=CC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001192377313 797376479 /nfs/dbraw/zinc/37/64/79/797376479.db2.gz JVRXYWLULQDUJD-MRXNPFEDSA-N 1 3 307.482 2.217 20 0 DEADHO CC(C)=CC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001192377313 797376486 /nfs/dbraw/zinc/37/64/86/797376486.db2.gz JVRXYWLULQDUJD-MRXNPFEDSA-N 1 3 307.482 2.217 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2C)C1 ZINC001192957971 797474151 /nfs/dbraw/zinc/47/41/51/797474151.db2.gz CMBAXHYTUNFBFI-SFHVURJKSA-N 1 3 317.477 2.370 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2C)C1 ZINC001192957971 797474157 /nfs/dbraw/zinc/47/41/57/797474157.db2.gz CMBAXHYTUNFBFI-SFHVURJKSA-N 1 3 317.477 2.370 20 0 DEADHO Clc1cc(C2CC[NH2+]CC2)nc(N[C@H]2CN3CCC2CC3)n1 ZINC001155662603 797821235 /nfs/dbraw/zinc/82/12/35/797821235.db2.gz LCHDDSQEXKBXQR-AWEZNQCLSA-N 1 3 321.856 2.103 20 0 DEADHO C[C@@H]([NH2+]CCCNC(=O)[C@H]1CCCN1C)c1ccccc1F ZINC001155802280 797851911 /nfs/dbraw/zinc/85/19/11/797851911.db2.gz JSFOHTLYIFKXDR-CZUORRHYSA-N 1 3 307.413 2.077 20 0 DEADHO CC/C=C\CC[N@@H+]1CCCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001197158916 798157468 /nfs/dbraw/zinc/15/74/68/798157468.db2.gz YITUMOFUNUXCHX-VGOKWCNXSA-N 1 3 307.482 2.219 20 0 DEADHO CC/C=C\CC[N@H+]1CCCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001197158916 798157470 /nfs/dbraw/zinc/15/74/70/798157470.db2.gz YITUMOFUNUXCHX-VGOKWCNXSA-N 1 3 307.482 2.219 20 0 DEADHO CCC/C=C\CCN1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001197823583 798249605 /nfs/dbraw/zinc/24/96/05/798249605.db2.gz CYRQNLWXASCKPA-PLNGDYQASA-N 1 3 319.493 2.363 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC[C@@H](C)C(F)(F)CC1 ZINC001157851389 798292983 /nfs/dbraw/zinc/29/29/83/798292983.db2.gz YXCZWSKGWZEIQN-KGLIPLIRSA-N 1 3 319.440 2.376 20 0 DEADHO Cc1nc(N(C)C)cc(N(CC(C)(C)C)C2CC[NH2+]CC2)n1 ZINC001157883599 798297697 /nfs/dbraw/zinc/29/76/97/798297697.db2.gz UYVIJSGRZJEFAO-UHFFFAOYSA-N 1 3 305.470 2.456 20 0 DEADHO CC(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001158474405 798412834 /nfs/dbraw/zinc/41/28/34/798412834.db2.gz YQKNWAQHDQFPEI-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001158474405 798412837 /nfs/dbraw/zinc/41/28/37/798412837.db2.gz YQKNWAQHDQFPEI-IAGOWNOFSA-N 1 3 309.498 2.297 20 0 DEADHO CCN[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccccc1OC ZINC001198885422 798413687 /nfs/dbraw/zinc/41/36/87/798413687.db2.gz GYGVUVLHODNNOD-NVXWUHKLSA-N 1 3 321.465 2.048 20 0 DEADHO CCC[N@H+](C)CCC(=O)NC[C@H](NCC)c1ccccc1OC ZINC001198969266 798421652 /nfs/dbraw/zinc/42/16/52/798421652.db2.gz UFPNKGZLKFYUDA-INIZCTEOSA-N 1 3 321.465 2.194 20 0 DEADHO CCC[N@@H+](C)CCC(=O)NC[C@H](NCC)c1ccccc1OC ZINC001198969266 798421655 /nfs/dbraw/zinc/42/16/55/798421655.db2.gz UFPNKGZLKFYUDA-INIZCTEOSA-N 1 3 321.465 2.194 20 0 DEADHO Cc1cc(F)cnc1N(C1CC[NH2+]CC1)C1CCN(C)CC1 ZINC001158574736 798433419 /nfs/dbraw/zinc/43/34/19/798433419.db2.gz DGQXOOGEBSSIMV-UHFFFAOYSA-N 1 3 306.429 2.182 20 0 DEADHO CC(C)=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001159580860 798583633 /nfs/dbraw/zinc/58/36/33/798583633.db2.gz CYPSKFPMEBRTSB-KRWDZBQOSA-N 1 3 305.466 2.185 20 0 DEADHO CC(C)=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001159580860 798583636 /nfs/dbraw/zinc/58/36/36/798583636.db2.gz CYPSKFPMEBRTSB-KRWDZBQOSA-N 1 3 305.466 2.185 20 0 DEADHO CN(C)C1(C(=O)NCCC[NH2+]C/C=C/c2ccccc2)CCC1 ZINC001159845832 798617816 /nfs/dbraw/zinc/61/78/16/798617816.db2.gz HVFJIEHUJSRGBA-IZZDOVSWSA-N 1 3 315.461 2.280 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159915721 798624732 /nfs/dbraw/zinc/62/47/32/798624732.db2.gz MSHUTHMLWGMGQW-CRAIPNDOSA-N 1 3 317.477 2.492 20 0 DEADHO C[NH+](C)C1(C)CN(C(=O)[C@H]2CCC[C@H](c3ccccc3)N2)C1 ZINC001160644261 798714287 /nfs/dbraw/zinc/71/42/87/798714287.db2.gz AYCIYKIKQBJWTM-HZPDHXFCSA-N 1 3 301.434 2.032 20 0 DEADHO CCc1ccc(C[NH2+]CCCNC(=O)[C@@H](CC)N(C)C)cc1 ZINC001160890165 798755842 /nfs/dbraw/zinc/75/58/42/798755842.db2.gz XJAFNVPRPHWUBN-QGZVFWFLSA-N 1 3 305.466 2.185 20 0 DEADHO CC(C)(C)C[NH+]1CCC(Nc2ncc3c(n2)CCNC3)CC1 ZINC001161207499 798810910 /nfs/dbraw/zinc/81/09/10/798810910.db2.gz RIBPKGCQRONJLE-UHFFFAOYSA-N 1 3 303.454 2.045 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](Nc2cccc3cc([C@@H]4CNCCO4)cn32)C1 ZINC001162403114 799078899 /nfs/dbraw/zinc/07/88/99/799078899.db2.gz XZFFOIDJWAUWDT-VYDXJSESSA-N 1 3 314.433 2.282 20 0 DEADHO CC[C@@H](C)C[NH2+]C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001202518568 799083736 /nfs/dbraw/zinc/08/37/36/799083736.db2.gz XWTCUEJEFQDZJY-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114406418 799090255 /nfs/dbraw/zinc/09/02/55/799090255.db2.gz CCTZOPGKYAUXNM-ZSHCYNCHSA-N 1 3 307.482 2.097 20 0 DEADHO CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114406418 799090264 /nfs/dbraw/zinc/09/02/64/799090264.db2.gz CCTZOPGKYAUXNM-ZSHCYNCHSA-N 1 3 307.482 2.097 20 0 DEADHO c1cc(NCc2ccc3c(c2)CC[NH2+]C3)cc2c1C1(CNC1)OC2 ZINC001162815958 799182649 /nfs/dbraw/zinc/18/26/49/799182649.db2.gz SRDPFTOXPJMMLB-UHFFFAOYSA-N 1 3 321.424 2.273 20 0 DEADHO CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](C(C)C)N(C)C ZINC001162836681 799185626 /nfs/dbraw/zinc/18/56/26/799185626.db2.gz PRMHWAXSARIMBP-SFHVURJKSA-N 1 3 319.493 2.253 20 0 DEADHO Cc1cc2cc(NCc3nnn4c3C[NH2+]CCC4)ccc2cn1 ZINC001162978916 799214260 /nfs/dbraw/zinc/21/42/60/799214260.db2.gz HVMVEUONHQPHMD-UHFFFAOYSA-N 1 3 308.389 2.240 20 0 DEADHO CCN(CC)CCNC(=[NH2+])Nc1ncnc2c(F)cccc12 ZINC001163127044 799253236 /nfs/dbraw/zinc/25/32/36/799253236.db2.gz XTRVDTOMFVGDHT-UHFFFAOYSA-N 1 3 304.373 2.047 20 0 DEADHO Cc1c2[nH]cnc2ccc1NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163280152 799297895 /nfs/dbraw/zinc/29/78/95/799297895.db2.gz QZCYJGZFXQNFQG-CXAGYDPISA-N 1 3 300.406 2.442 20 0 DEADHO c1ccc(-c2cnccc2N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001163329418 799312391 /nfs/dbraw/zinc/31/23/91/799312391.db2.gz YHDPUYQCMLXMIP-APWZRJJASA-N 1 3 309.413 2.494 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]C/C=C/c2ccccc2)CC1 ZINC001202667779 799354044 /nfs/dbraw/zinc/35/40/44/799354044.db2.gz MVLPBEMFRQEVIS-QPJJXVBHSA-N 1 3 324.428 2.246 20 0 DEADHO CC[NH+](CC)Cc1cc(-n2nc(CN)cc2C)ccc1OC ZINC001163987825 799472639 /nfs/dbraw/zinc/47/26/39/799472639.db2.gz CRKOZJCYZWBSSP-UHFFFAOYSA-N 1 3 302.422 2.490 20 0 DEADHO CN(C)Cc1ccnc(N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c1 ZINC001165168097 799666911 /nfs/dbraw/zinc/66/69/11/799666911.db2.gz HPDNDWPFKPNNHD-QUCCMNQESA-N 1 3 322.456 2.121 20 0 DEADHO CN(C)Cc1ccnc(N2C[C@@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c1 ZINC001165168096 799667252 /nfs/dbraw/zinc/66/72/52/799667252.db2.gz HPDNDWPFKPNNHD-ICSRJNTNSA-N 1 3 322.456 2.121 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C(C)C ZINC001095668436 799688337 /nfs/dbraw/zinc/68/83/37/799688337.db2.gz OXBNJVGYACEXLY-LTIDMASMSA-N 1 3 307.482 2.237 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C(C)C ZINC001095668436 799688341 /nfs/dbraw/zinc/68/83/41/799688341.db2.gz OXBNJVGYACEXLY-LTIDMASMSA-N 1 3 307.482 2.237 20 0 DEADHO CC[C@H](C)C[NH2+]CC1(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001165465164 799735123 /nfs/dbraw/zinc/73/51/23/799735123.db2.gz VKOZWJKSHTXEQL-HNNXBMFYSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC1(C[NH2+]CC[C@@H](C)F)CC1)N(C)C ZINC001165617058 799752195 /nfs/dbraw/zinc/75/21/95/799752195.db2.gz HLOYQJJQUQUORB-CABCVRRESA-N 1 3 315.477 2.197 20 0 DEADHO CC(C)[C@H](C(=O)NCCC[NH2+]CCCc1ccccc1)N(C)C ZINC001166010900 799812403 /nfs/dbraw/zinc/81/24/03/799812403.db2.gz UQOXQKCSXVAWMK-GOSISDBHSA-N 1 3 319.493 2.301 20 0 DEADHO C[C@@H]([NH2+]CCCNC(=O)CN1CCC[C@@H]1C)c1ccccc1 ZINC001166627410 799906240 /nfs/dbraw/zinc/90/62/40/799906240.db2.gz VBTKSWKXEOGBAP-JKSUJKDBSA-N 1 3 303.450 2.328 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CCCCC(F)(F)F)C1 ZINC001166677729 799918238 /nfs/dbraw/zinc/91/82/38/799918238.db2.gz MDMXTUJDYUBQPT-CYBMUJFWSA-N 1 3 323.403 2.157 20 0 DEADHO C[C@@H]([NH2+]CCCNC(=O)CN1CC[C@@H](C)C1)c1ccccc1 ZINC001166677332 799918253 /nfs/dbraw/zinc/91/82/53/799918253.db2.gz HSQUIEDSTSCRKW-HZPDHXFCSA-N 1 3 303.450 2.185 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CC2CCCCCC2)C1 ZINC001166678954 799919254 /nfs/dbraw/zinc/91/92/54/799919254.db2.gz ZPKKAGHFKABCGM-MRXNPFEDSA-N 1 3 309.498 2.395 20 0 DEADHO COc1cc2cc[nH+]c(N3CC[C@H](N)C(F)(F)C3)c2cc1OC ZINC001166959533 799990258 /nfs/dbraw/zinc/99/02/58/799990258.db2.gz ZFGPVBLFAGJAFF-AWEZNQCLSA-N 1 3 323.343 2.425 20 0 DEADHO CCN(CC)CC(=O)N[C@H]1C[C@H]([NH2+]CC=C(C)C)C12CCC2 ZINC001203524567 800069939 /nfs/dbraw/zinc/06/99/39/800069939.db2.gz XAMZXFZGHCVSTE-HOTGVXAUSA-N 1 3 307.482 2.311 20 0 DEADHO c1c[nH]c(CN2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001204005056 800157148 /nfs/dbraw/zinc/15/71/48/800157148.db2.gz KWJMHQZETWTXFV-UHFFFAOYSA-N 1 3 313.449 2.255 20 0 DEADHO CC(C)N1CCN(CCC[NH2+][C@H]2CCOC23CCCCC3)CC1 ZINC000933869899 800201178 /nfs/dbraw/zinc/20/11/78/800201178.db2.gz GSPXALQCZXKQLR-SFHVURJKSA-N 1 3 323.525 2.484 20 0 DEADHO Cc1nc[nH]c1CN1CCC(COCC[NH+]2CCCC2)CC1 ZINC001204589011 800236958 /nfs/dbraw/zinc/23/69/58/800236958.db2.gz QPARAXZEOPDURB-UHFFFAOYSA-N 1 3 306.454 2.043 20 0 DEADHO CN(C)C1(C(=O)N2CCC(C[NH2+]C/C=C\Cl)CC2)CCC1 ZINC001205457826 800360003 /nfs/dbraw/zinc/36/00/03/800360003.db2.gz RCYABECUZICJPI-WTKPLQERSA-N 1 3 313.873 2.051 20 0 DEADHO C[C@H](F)CC[NH2+]CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001205457840 800360293 /nfs/dbraw/zinc/36/02/93/800360293.db2.gz RWHMTSOHMZRHDQ-AWEZNQCLSA-N 1 3 313.461 2.047 20 0 DEADHO CN(CC(=O)N1CCC(C[NH2+]C/C=C/Cl)CC1)C1CCC1 ZINC001205469609 800361681 /nfs/dbraw/zinc/36/16/81/800361681.db2.gz OFNDGWWKKCAXIL-FPYGCLRLSA-N 1 3 313.873 2.051 20 0 DEADHO C[C@H]1CCN(Cc2cnnn2Cc2ccccc2)CC[C@H]1C[NH3+] ZINC001205638550 800391863 /nfs/dbraw/zinc/39/18/63/800391863.db2.gz PDAJWFDNXKOKNI-RDJZCZTQSA-N 1 3 313.449 2.133 20 0 DEADHO COC(=O)c1cc(F)cc(CN2CC[C@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205653693 800394351 /nfs/dbraw/zinc/39/43/51/800394351.db2.gz UKBSAVWPZTUSIB-GXTWGEPZSA-N 1 3 308.397 2.419 20 0 DEADHO CCn1ccc2ccc(CN3CCCC[C@](O)(C[NH3+])C3)cc21 ZINC001205673256 800398076 /nfs/dbraw/zinc/39/80/76/800398076.db2.gz OTHIBCCUXPIETK-SFHVURJKSA-N 1 3 301.434 2.337 20 0 DEADHO CCn1ccc2ccc(C[N@@H+]3CCCC[C@](O)(CN)C3)cc21 ZINC001205673256 800398082 /nfs/dbraw/zinc/39/80/82/800398082.db2.gz OTHIBCCUXPIETK-SFHVURJKSA-N 1 3 301.434 2.337 20 0 DEADHO CCn1ccc2ccc(C[N@H+]3CCCC[C@](O)(CN)C3)cc21 ZINC001205673256 800398087 /nfs/dbraw/zinc/39/80/87/800398087.db2.gz OTHIBCCUXPIETK-SFHVURJKSA-N 1 3 301.434 2.337 20 0 DEADHO NC[C@@]1(O)CCCC[N@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001205682750 800401321 /nfs/dbraw/zinc/40/13/21/800401321.db2.gz UJDWLKHOMJKJQT-IBGZPJMESA-N 1 3 311.429 2.424 20 0 DEADHO NC[C@@]1(O)CCCC[N@@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001205682750 800401326 /nfs/dbraw/zinc/40/13/26/800401326.db2.gz UJDWLKHOMJKJQT-IBGZPJMESA-N 1 3 311.429 2.424 20 0 DEADHO [NH3+]C[C@@]1(O)CCCCN(Cc2ccc(-c3ccccn3)cc2)C1 ZINC001205682750 800401330 /nfs/dbraw/zinc/40/13/30/800401330.db2.gz UJDWLKHOMJKJQT-IBGZPJMESA-N 1 3 311.429 2.424 20 0 DEADHO COc1cc(C[N@@H+]2CC[C@@H](N)[C@@H](F)CC2)ccc1-n1ccnc1 ZINC001206195962 800488305 /nfs/dbraw/zinc/48/83/05/800488305.db2.gz AHJXMGGGQZPWMF-LSDHHAIUSA-N 1 3 318.396 2.142 20 0 DEADHO COc1cc(C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)ccc1-n1ccnc1 ZINC001206195962 800488311 /nfs/dbraw/zinc/48/83/11/800488311.db2.gz AHJXMGGGQZPWMF-LSDHHAIUSA-N 1 3 318.396 2.142 20 0 DEADHO C[C@@H](F)CC[NH2+]CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001206275484 800500472 /nfs/dbraw/zinc/50/04/72/800500472.db2.gz UCIQDDVQKYIFNP-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)C[NH2+]CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001206307417 800505598 /nfs/dbraw/zinc/50/55/98/800505598.db2.gz HAZWFKARUKGYLT-UHFFFAOYSA-N 1 3 311.514 2.449 20 0 DEADHO CC/C=C/CC[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001206404301 800526325 /nfs/dbraw/zinc/52/63/25/800526325.db2.gz YCRXRKRZTXDBPW-ONEGZZNKSA-N 1 3 304.438 2.137 20 0 DEADHO CC(C)CCC[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001206928960 800631176 /nfs/dbraw/zinc/63/11/76/800631176.db2.gz OPZFMOYEQLXUFK-UHFFFAOYSA-N 1 3 309.498 2.347 20 0 DEADHO CN(C)CC(C)(C)C[NH+]1C[C@@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001207279056 800720956 /nfs/dbraw/zinc/72/09/56/800720956.db2.gz AOVLRLGRKPHKRY-IRXDYDNUSA-N 1 3 316.493 2.033 20 0 DEADHO C[NH+]1CCC(CN2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)CC1 ZINC001207394640 800742374 /nfs/dbraw/zinc/74/23/74/800742374.db2.gz KSZZIJPGGGSZCZ-HZPDHXFCSA-N 1 3 323.481 2.269 20 0 DEADHO C[NH+]1CCC(CN2CCN(c3cc(Cl)ccn3)CC2)CC1 ZINC001207398877 800743625 /nfs/dbraw/zinc/74/36/25/800743625.db2.gz SERJOVKKHUBDSM-UHFFFAOYSA-N 1 3 308.857 2.199 20 0 DEADHO CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCCN2CC1CC[NH2+]CC1 ZINC001207435730 800750936 /nfs/dbraw/zinc/75/09/36/800750936.db2.gz KXWHIDSLHWYZBR-GJZGRUSLSA-N 1 3 309.454 2.070 20 0 DEADHO O=C(OCc1ccccc1)[C@@H]1CCCN1CC1CC[NH2+]CC1 ZINC001207436366 800752270 /nfs/dbraw/zinc/75/22/70/800752270.db2.gz IKQSGYGVHDWCFX-KRWDZBQOSA-N 1 3 302.418 2.194 20 0 DEADHO COc1cccc(CCCN2CCN(CCC[NH+](C)C)CC2)c1 ZINC001207572586 800782369 /nfs/dbraw/zinc/78/23/69/800782369.db2.gz CNNUXKXZUIRSLF-UHFFFAOYSA-N 1 3 319.493 2.197 20 0 DEADHO CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001207652821 800798638 /nfs/dbraw/zinc/79/86/38/800798638.db2.gz NOYAYVRXTVXPPO-ZACQAIPSSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001207652821 800798644 /nfs/dbraw/zinc/79/86/44/800798644.db2.gz NOYAYVRXTVXPPO-ZACQAIPSSA-N 1 3 311.514 2.445 20 0 DEADHO C[NH+](C)CCCN1CCN(CC2(c3ccccc3)CC2)CC1 ZINC001207838879 800842202 /nfs/dbraw/zinc/84/22/02/800842202.db2.gz XDIDTEQFLQNQAQ-UHFFFAOYSA-N 1 3 301.478 2.288 20 0 DEADHO Cc1nc(CN2CCCC23CCN(CC[NH+](C)C)CC3)cs1 ZINC001208125986 800917820 /nfs/dbraw/zinc/91/78/20/800917820.db2.gz QVPYAPDTQCSCHL-UHFFFAOYSA-N 1 3 322.522 2.444 20 0 DEADHO CC(C)CCC[NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208331968 800956405 /nfs/dbraw/zinc/95/64/05/800956405.db2.gz ZGAYPWXKYNHZOL-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[NH+]1CCC(CN2CCN(c3cccc(C)n3)CC2)CC1 ZINC001208592736 801021816 /nfs/dbraw/zinc/02/18/16/801021816.db2.gz ARIONQDIMOLRPF-UHFFFAOYSA-N 1 3 302.466 2.244 20 0 DEADHO CC(=O)N1CCCCC12CCN(C[C@H]1CCC[N@@H+](C)C1)CC2 ZINC001208606681 801027217 /nfs/dbraw/zinc/02/72/17/801027217.db2.gz HSCDSHYZPRELSB-KRWDZBQOSA-N 1 3 307.482 2.195 20 0 DEADHO CC(=O)N1CCCCC12CCN(C[C@H]1CCC[N@H+](C)C1)CC2 ZINC001208606681 801027220 /nfs/dbraw/zinc/02/72/20/801027220.db2.gz HSCDSHYZPRELSB-KRWDZBQOSA-N 1 3 307.482 2.195 20 0 DEADHO C[N@@H+]1CCC[C@@H](CN(Cc2cccnc2)C2CCOCC2)C1 ZINC001208605512 801027596 /nfs/dbraw/zinc/02/75/96/801027596.db2.gz AYDGYEKILJQOJQ-QGZVFWFLSA-N 1 3 303.450 2.404 20 0 DEADHO C[N@H+]1CCC[C@@H](CN(Cc2cccnc2)C2CCOCC2)C1 ZINC001208605512 801027599 /nfs/dbraw/zinc/02/75/99/801027599.db2.gz AYDGYEKILJQOJQ-QGZVFWFLSA-N 1 3 303.450 2.404 20 0 DEADHO CC/C=C\CC[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001208728330 801056775 /nfs/dbraw/zinc/05/67/75/801056775.db2.gz RNVFCRQYEUFSAJ-JTWDDWRCSA-N 1 3 303.454 2.029 20 0 DEADHO CC/C=C\CC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001208728330 801056779 /nfs/dbraw/zinc/05/67/79/801056779.db2.gz RNVFCRQYEUFSAJ-JTWDDWRCSA-N 1 3 303.454 2.029 20 0 DEADHO COC(=O)[C@@H]1CCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208941735 801098971 /nfs/dbraw/zinc/09/89/71/801098971.db2.gz MYVXPOWYDJNOHQ-DLBZAZTESA-N 1 3 302.418 2.003 20 0 DEADHO COC(=O)[C@@H]1CCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208941735 801098975 /nfs/dbraw/zinc/09/89/75/801098975.db2.gz MYVXPOWYDJNOHQ-DLBZAZTESA-N 1 3 302.418 2.003 20 0 DEADHO Cc1n[nH]cc1C[N@H+]1C[C@H]2CN(Cc3cccs3)C[C@H]2C1 ZINC001209553939 801215823 /nfs/dbraw/zinc/21/58/23/801215823.db2.gz RYNYOEXQGZIBKI-GASCZTMLSA-N 1 3 302.447 2.343 20 0 DEADHO Cc1n[nH]cc1C[N@@H+]1C[C@H]2CN(Cc3cccs3)C[C@H]2C1 ZINC001209553939 801215825 /nfs/dbraw/zinc/21/58/25/801215825.db2.gz RYNYOEXQGZIBKI-GASCZTMLSA-N 1 3 302.447 2.343 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001209838804 801294070 /nfs/dbraw/zinc/29/40/70/801294070.db2.gz ZLYGKBOKOIQUGY-IOMDMTNGSA-N 1 3 324.428 2.246 20 0 DEADHO CCCCCCN(C)CC(=O)NC1CC[NH+](CCCF)CC1 ZINC001229641171 801300610 /nfs/dbraw/zinc/30/06/10/801300610.db2.gz BJTPQVSNBCJNIX-UHFFFAOYSA-N 1 3 315.477 2.439 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC001210217655 801352209 /nfs/dbraw/zinc/35/22/09/801352209.db2.gz KPDUBGHOCHPEHD-GOSISDBHSA-N 1 3 317.477 2.152 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccns1 ZINC001230284708 801381383 /nfs/dbraw/zinc/38/13/83/801381383.db2.gz QXVSODLCNOGKDL-HUUCEWRRSA-N 1 3 324.494 2.000 20 0 DEADHO F[C@H]1CNCCN(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001210579944 801425510 /nfs/dbraw/zinc/42/55/10/801425510.db2.gz CQTCHHFBFTUZFJ-ROUUACIJSA-N 1 3 305.441 2.284 20 0 DEADHO F[C@H]1CNCCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001210579944 801425515 /nfs/dbraw/zinc/42/55/15/801425515.db2.gz CQTCHHFBFTUZFJ-ROUUACIJSA-N 1 3 305.441 2.284 20 0 DEADHO CC[NH+](CC)C[C@H]1CN(Cc2cc3c[nH]ccc-3n2)CCO1 ZINC001232017960 801769923 /nfs/dbraw/zinc/76/99/23/801769923.db2.gz CAMBLYMHBBHICL-INIZCTEOSA-N 1 3 302.422 2.106 20 0 DEADHO CC[NH+](CC)C[C@H]1CN(Cc2cc3cnccc3[nH]2)CCO1 ZINC001232017960 801769925 /nfs/dbraw/zinc/76/99/25/801769925.db2.gz CAMBLYMHBBHICL-INIZCTEOSA-N 1 3 302.422 2.106 20 0 DEADHO CC(C)CC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001215557724 801877818 /nfs/dbraw/zinc/87/78/18/801877818.db2.gz AEZKYLGZRAMRKN-HZPDHXFCSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)C[C@H](C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001215680636 801893699 /nfs/dbraw/zinc/89/36/99/801893699.db2.gz GFZPZTHRWPSDNM-SQWLQELKSA-N 1 3 306.454 2.071 20 0 DEADHO CC1(C)N[C@@H](CO[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CO1 ZINC001217823243 802113959 /nfs/dbraw/zinc/11/39/59/802113959.db2.gz PEKHHMMTPVIPOG-DLBZAZTESA-N 1 3 304.434 2.392 20 0 DEADHO CC1(C)N[C@@H](CO[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CO1 ZINC001217823243 802113962 /nfs/dbraw/zinc/11/39/62/802113962.db2.gz PEKHHMMTPVIPOG-DLBZAZTESA-N 1 3 304.434 2.392 20 0 DEADHO c1ccc2c(c1)CNC[C@@H]2OC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001217940385 802120490 /nfs/dbraw/zinc/12/04/90/802120490.db2.gz FGUMWXBPQJGVEW-AEFFLSMTSA-N 1 3 316.445 2.396 20 0 DEADHO COC(=O)c1ccc(CN2CCC(C[NH+](C)C)CC2)cc1OC ZINC001233519479 802143067 /nfs/dbraw/zinc/14/30/67/802143067.db2.gz VXFCIOJAQLYNNB-UHFFFAOYSA-N 1 3 320.433 2.255 20 0 DEADHO N[C@@H](C(=O)Nc1ncccc1-c1ccccc1)C1CC[NH2+]CC1 ZINC001218581700 802210002 /nfs/dbraw/zinc/21/00/02/802210002.db2.gz ALGNBFYIDXNXJE-MRXNPFEDSA-N 1 3 310.401 2.014 20 0 DEADHO CC(C)(C[NH3+])c1ccc(NC(=O)C[C@H]2CCNC[C@H]2F)cc1 ZINC001218898271 802254955 /nfs/dbraw/zinc/25/49/55/802254955.db2.gz MDDLJMUVQQFULP-IUODEOHRSA-N 1 3 307.413 2.199 20 0 DEADHO CN[C@H](C(=O)Nc1cccc2c1C[NH2+]C2)[C@@H](C)OC(C)(C)C ZINC001218995398 802271746 /nfs/dbraw/zinc/27/17/46/802271746.db2.gz USYAHYWWQAQTMJ-ABAIWWIYSA-N 1 3 305.422 2.020 20 0 DEADHO COc1cccc2c(NC(=O)[C@@H](N)C3CC[NH2+]CC3)cccc12 ZINC001219362016 802317151 /nfs/dbraw/zinc/31/71/51/802317151.db2.gz BXWLJEALTICARI-KRWDZBQOSA-N 1 3 313.401 2.114 20 0 DEADHO CC/C=C/CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001234344739 802358752 /nfs/dbraw/zinc/35/87/52/802358752.db2.gz CCOLKVGWJJOSLU-UBZMYNMCSA-N 1 3 319.493 2.217 20 0 DEADHO CC(C)[C@@H]([NH3+])C(=O)NCCN1CCC(Cc2ccccc2)CC1 ZINC001219669225 802365027 /nfs/dbraw/zinc/36/50/27/802365027.db2.gz QLFGLVWJXGEEJC-GOSISDBHSA-N 1 3 317.477 2.041 20 0 DEADHO C[C@H](C[NH+](C)C)NC(=O)C[C@@H](N)c1ccc(C(F)(F)F)cc1 ZINC001219916491 802391212 /nfs/dbraw/zinc/39/12/12/802391212.db2.gz XJROSNZOCSRWIW-ZWNOBZJWSA-N 1 3 317.355 2.162 20 0 DEADHO Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@@H](N)CCCC[NH3+] ZINC001220075630 802407994 /nfs/dbraw/zinc/40/79/94/802407994.db2.gz QBNBBSWWPLDYHO-ZDUSSCGKSA-N 1 3 318.248 2.374 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC(C)C ZINC001234644655 802439469 /nfs/dbraw/zinc/43/94/69/802439469.db2.gz WJKQUXFOPKJHGZ-HOTGVXAUSA-N 1 3 315.477 2.245 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)N(C)C[C@@H]1CC[N@H+]1CCC(C)C ZINC001234644655 802439472 /nfs/dbraw/zinc/43/94/72/802439472.db2.gz WJKQUXFOPKJHGZ-HOTGVXAUSA-N 1 3 315.477 2.245 20 0 DEADHO C[C@@]1([NH3+])C[C@H](NC(=O)[C@H](N)Cc2ccc(-c3ccccc3)cc2)C1 ZINC001221238887 802541486 /nfs/dbraw/zinc/54/14/86/802541486.db2.gz FOPUOPLVFFBQIJ-GGPKGHCWSA-N 1 3 323.440 2.219 20 0 DEADHO CC(C)Cc1ccc([C@H](C)NC(=O)[C@@H](N)C2CC[NH2+]CC2)cc1 ZINC001221295928 802551447 /nfs/dbraw/zinc/55/14/47/802551447.db2.gz UHTFBQPPWVGZGY-KSSFIOAISA-N 1 3 317.477 2.389 20 0 DEADHO CC[C@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N(C)CC)[C@@H]2C1 ZINC001221654569 802599856 /nfs/dbraw/zinc/59/98/56/802599856.db2.gz PARGJMUKWXIUFF-ARFHVFGLSA-N 1 3 309.498 2.296 20 0 DEADHO CC[C@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N(C)CC)[C@@H]2C1 ZINC001221654569 802599859 /nfs/dbraw/zinc/59/98/59/802599859.db2.gz PARGJMUKWXIUFF-ARFHVFGLSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)(C(=O)NCC1CC[NH+](CCCF)CC1)N1CCCC1 ZINC001224025057 802830754 /nfs/dbraw/zinc/83/07/54/802830754.db2.gz SRAPSFBDPPXXGZ-UHFFFAOYSA-N 1 3 313.461 2.049 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCC1CC[NH+](CC2CCC2)CC1 ZINC001224535660 802880349 /nfs/dbraw/zinc/88/03/49/802880349.db2.gz IHYHIWIIIKWILP-HNNXBMFYSA-N 1 3 307.482 2.099 20 0 DEADHO CCc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H](CC)N(C)C)cc1 ZINC001418246848 1167515823 /nfs/dbraw/zinc/51/58/23/1167515823.db2.gz OVSCEYASGYGEGU-RHSMWYFYSA-N 1 3 305.466 2.184 20 0 DEADHO C[C@@H](CCC[NH2+]CC1CCCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001330917512 1149332755 /nfs/dbraw/zinc/33/27/55/1149332755.db2.gz QNXAWEZZSLHZNK-HOTGVXAUSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)c1ccc(CN2CC[C@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001370014020 1149347512 /nfs/dbraw/zinc/34/75/12/1149347512.db2.gz HURNHSIFGNIGKO-SFHVURJKSA-N 1 3 317.477 2.452 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]([NH2+]CC1CCCCC1)C1CC1)N(C)C ZINC001370182397 1149417545 /nfs/dbraw/zinc/41/75/45/1149417545.db2.gz KOOYKIZHTLMHJC-IAGOWNOFSA-N 1 3 309.498 2.391 20 0 DEADHO CN(CC(=O)N1CCC[C@H](C[N@H+](C)CCC2CC2)C1)C1CCC1 ZINC001370292105 1149481336 /nfs/dbraw/zinc/48/13/36/1149481336.db2.gz AFCSCOYTXUXSCP-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CN(CC(=O)N1CCC[C@H](C[N@@H+](C)CCC2CC2)C1)C1CCC1 ZINC001370292105 1149481362 /nfs/dbraw/zinc/48/13/62/1149481362.db2.gz AFCSCOYTXUXSCP-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](C[N@H+](C)CCC3CC3)C2)C1 ZINC001370302307 1149504634 /nfs/dbraw/zinc/50/46/34/1149504634.db2.gz IKAWRZXXIPFZKN-AEFFLSMTSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](C[N@@H+](C)CCC3CC3)C2)C1 ZINC001370302307 1149504657 /nfs/dbraw/zinc/50/46/57/1149504657.db2.gz IKAWRZXXIPFZKN-AEFFLSMTSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)[NH2+][C@@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001419896768 1168896662 /nfs/dbraw/zinc/89/66/62/1168896662.db2.gz AWDWZRFVDIYMGU-WMLDXEAASA-N 1 3 315.477 2.338 20 0 DEADHO C[C@@H](NCc1ccccc1Cl)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001368873518 1148738051 /nfs/dbraw/zinc/73/80/51/1148738051.db2.gz WLQACLFPDJTGSQ-CHWSQXEVSA-N 1 3 311.857 2.275 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccsc2)C1 ZINC001368347285 1148420419 /nfs/dbraw/zinc/42/04/19/1148420419.db2.gz UGZQOHMFWBIWNE-HOCLYGCPSA-N 1 3 323.506 2.415 20 0 DEADHO C[C@H]([NH2+]C/C=C\Cl)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001368348029 1148420749 /nfs/dbraw/zinc/42/07/49/1148420749.db2.gz YRCYPZNXVKCWRS-GHGQEBASSA-N 1 3 313.873 2.050 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C)N(C)C ZINC001368349830 1148421525 /nfs/dbraw/zinc/42/15/25/1148421525.db2.gz WLOCNRFZVDNGSV-YYIAUSFCSA-N 1 3 309.498 2.342 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C)N(C)C ZINC001368349830 1148421528 /nfs/dbraw/zinc/42/15/28/1148421528.db2.gz WLOCNRFZVDNGSV-YYIAUSFCSA-N 1 3 309.498 2.342 20 0 DEADHO CC[C@@H](C(=O)N(C)C[C@@H]1CCN1CC1CCC1)[NH+](CC)CC ZINC001368395238 1148431679 /nfs/dbraw/zinc/43/16/79/1148431679.db2.gz BMOFASIWTXNYPY-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)C[C@H]2CC[N@@H+]2CC2CC(C)(C)C2)C1 ZINC001368397543 1148432305 /nfs/dbraw/zinc/43/23/05/1148432305.db2.gz FZLFZMJXIHUFAE-DOTOQJQBSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)C[C@H]2CC[N@H+]2CC2CC(C)(C)C2)C1 ZINC001368397543 1148432309 /nfs/dbraw/zinc/43/23/09/1148432309.db2.gz FZLFZMJXIHUFAE-DOTOQJQBSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)C1)N(C)C ZINC001368530583 1148480878 /nfs/dbraw/zinc/48/08/78/1148480878.db2.gz YHDFUGGYJRVDHY-XQQFMLRXSA-N 1 3 323.403 2.009 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[N@H+](C)CCc1cccs1 ZINC001369011235 1148828466 /nfs/dbraw/zinc/82/84/66/1148828466.db2.gz YKQQGPMVFLLDMB-AWEZNQCLSA-N 1 3 311.495 2.067 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[N@@H+](C)CCc1cccs1 ZINC001369011235 1148828468 /nfs/dbraw/zinc/82/84/68/1148828468.db2.gz YKQQGPMVFLLDMB-AWEZNQCLSA-N 1 3 311.495 2.067 20 0 DEADHO Cc1ccc(C[N@H+](C)CCCCCC[NH3+])cc1-c1nnn[n-]1 ZINC001605846770 1070944119 /nfs/dbraw/zinc/94/41/19/1070944119.db2.gz SZWJZDGFBGDYBQ-UHFFFAOYSA-N 1 3 302.426 2.126 20 0 DEADHO Cc1ccc(C[N@@H+](C)CCCCCC[NH3+])cc1-c1nnn[n-]1 ZINC001605846770 1070944124 /nfs/dbraw/zinc/94/41/24/1070944124.db2.gz SZWJZDGFBGDYBQ-UHFFFAOYSA-N 1 3 302.426 2.126 20 0 DEADHO Cc1ccc(C[N@H+](C)CCCCCC[NH3+])cc1-c1nn[n-]n1 ZINC001605846770 1070944131 /nfs/dbraw/zinc/94/41/31/1070944131.db2.gz SZWJZDGFBGDYBQ-UHFFFAOYSA-N 1 3 302.426 2.126 20 0 DEADHO Cc1ccc(C[N@@H+](C)CCCCCC[NH3+])cc1-c1nn[n-]n1 ZINC001605846770 1070944139 /nfs/dbraw/zinc/94/41/39/1070944139.db2.gz SZWJZDGFBGDYBQ-UHFFFAOYSA-N 1 3 302.426 2.126 20 0 DEADHO Cc1ccccc1CN1CC([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001369091543 1148846906 /nfs/dbraw/zinc/84/69/06/1148846906.db2.gz PRYKEXMFRRYNNB-MRXNPFEDSA-N 1 3 317.477 2.273 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]21 ZINC001369143692 1148855834 /nfs/dbraw/zinc/85/58/34/1148855834.db2.gz BWARNGFJUKBHHT-NNZMDNLPSA-N 1 3 321.509 2.201 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCCC3CCC3)C[C@H]21 ZINC001369143692 1148855835 /nfs/dbraw/zinc/85/58/35/1148855835.db2.gz BWARNGFJUKBHHT-NNZMDNLPSA-N 1 3 321.509 2.201 20 0 DEADHO CN1CCC([N@@H+]2CC[C@H](NCc3csc(C4CC4)n3)C2)CC1 ZINC001461178229 1058601027 /nfs/dbraw/zinc/60/10/27/1058601027.db2.gz DEAFMWIGIMZLBN-AWEZNQCLSA-N 1 3 320.506 2.279 20 0 DEADHO CN1CCC([N@H+]2CC[C@H](NCc3csc(C4CC4)n3)C2)CC1 ZINC001461178229 1058601040 /nfs/dbraw/zinc/60/10/40/1058601040.db2.gz DEAFMWIGIMZLBN-AWEZNQCLSA-N 1 3 320.506 2.279 20 0 DEADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cc2ccccc2n(C)c1=O ZINC001462204182 1058776063 /nfs/dbraw/zinc/77/60/63/1058776063.db2.gz SEXPHVQDFXYWMI-WMLDXEAASA-N 1 3 313.445 2.311 20 0 DEADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1cc2ccccc2n(C)c1=O ZINC001462204182 1058776081 /nfs/dbraw/zinc/77/60/81/1058776081.db2.gz SEXPHVQDFXYWMI-WMLDXEAASA-N 1 3 313.445 2.311 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1(C)CC[NH+](CC[C@@H](C)F)CC1 ZINC001500459554 1058802848 /nfs/dbraw/zinc/80/28/48/1058802848.db2.gz JXJLVKYIEBNACP-CYBMUJFWSA-N 1 3 324.444 2.227 20 0 DEADHO CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC)N(CC)CC)[C@@H]2C1 ZINC001501422425 1059502417 /nfs/dbraw/zinc/50/24/17/1059502417.db2.gz PHPHKFPJNXHICW-YESZJQIVSA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC)N(CC)CC)[C@@H]2C1 ZINC001501422425 1059502426 /nfs/dbraw/zinc/50/24/26/1059502426.db2.gz PHPHKFPJNXHICW-YESZJQIVSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](F)C[NH2+]CC[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001501574486 1059555754 /nfs/dbraw/zinc/55/57/54/1059555754.db2.gz NSRFDQOKXNZDCN-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC001467782016 1059700821 /nfs/dbraw/zinc/70/08/21/1059700821.db2.gz YIWVLKDWKOJQPB-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC001467782016 1059700843 /nfs/dbraw/zinc/70/08/43/1059700843.db2.gz YIWVLKDWKOJQPB-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1NCC=C(Cl)Cl ZINC001502739110 1060260840 /nfs/dbraw/zinc/26/08/40/1060260840.db2.gz WTHXWCRCXONKOW-NEPJUHHUSA-N 1 3 322.280 2.084 20 0 DEADHO CCC(CC)C[NH+]1CC([C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001369174759 1148861113 /nfs/dbraw/zinc/86/11/13/1148861113.db2.gz ZRQJQPXIVBKXAY-WMLDXEAASA-N 1 3 311.514 2.445 20 0 DEADHO CCC[NH+]1CCC2(CCN(C(=O)CN(C)C(C)C)CC2)CC1 ZINC001503763824 1060465250 /nfs/dbraw/zinc/46/52/50/1060465250.db2.gz IRWVGBXSAKFDFM-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@H](C)C[N@H+](C)C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001505434435 1060589112 /nfs/dbraw/zinc/58/91/12/1060589112.db2.gz QXZOZZQHHRBDDD-DOTOQJQBSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C)C[N@@H+](C)C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001505434435 1060589126 /nfs/dbraw/zinc/58/91/26/1060589126.db2.gz QXZOZZQHHRBDDD-DOTOQJQBSA-N 1 3 309.498 2.440 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001505734043 1060911428 /nfs/dbraw/zinc/91/14/28/1060911428.db2.gz BYHROQWYTHVXTE-UONOGXRCSA-N 1 3 309.429 2.150 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CC1CCC1 ZINC001506014495 1061271473 /nfs/dbraw/zinc/27/14/73/1061271473.db2.gz BPYXDQAUEXDKQN-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC1CCC1 ZINC001506014495 1061271493 /nfs/dbraw/zinc/27/14/93/1061271493.db2.gz BPYXDQAUEXDKQN-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001479409671 1061444049 /nfs/dbraw/zinc/44/40/49/1061444049.db2.gz VKGBBBXEHWDBJM-IYARVYRRSA-N 1 3 317.477 2.321 20 0 DEADHO CC(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001479475759 1061469479 /nfs/dbraw/zinc/46/94/79/1061469479.db2.gz MSDJEXURSJDIDT-JKSUJKDBSA-N 1 3 311.514 2.495 20 0 DEADHO CCc1ccc(CN2CC[C@H](NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001479961500 1062116834 /nfs/dbraw/zinc/11/68/34/1062116834.db2.gz IOOBTYOBJWKDEY-SFHVURJKSA-N 1 3 317.477 2.281 20 0 DEADHO CC[N@@H+]1C[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C(C)(C)C1 ZINC001506754881 1062372059 /nfs/dbraw/zinc/37/20/59/1062372059.db2.gz YUJVIHDALOVZDH-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CC[N@H+]1C[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C(C)(C)C1 ZINC001506754881 1062372077 /nfs/dbraw/zinc/37/20/77/1062372077.db2.gz YUJVIHDALOVZDH-JKSUJKDBSA-N 1 3 309.498 2.343 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](NCC=C(Cl)Cl)C1 ZINC001480233461 1062496714 /nfs/dbraw/zinc/49/67/14/1062496714.db2.gz BPBLICANTYRTTR-TXEJJXNPSA-N 1 3 322.280 2.274 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NCC=C(Cl)Cl)C1 ZINC001480233461 1062496726 /nfs/dbraw/zinc/49/67/26/1062496726.db2.gz BPBLICANTYRTTR-TXEJJXNPSA-N 1 3 322.280 2.274 20 0 DEADHO C[C@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001507127848 1062887854 /nfs/dbraw/zinc/88/78/54/1062887854.db2.gz RSULGSKAGNNPQG-LSDHHAIUSA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCC(F)(F)F ZINC001480549861 1063021109 /nfs/dbraw/zinc/02/11/09/1063021109.db2.gz VERGOICTJGWUPL-STQMWFEESA-N 1 3 323.403 2.296 20 0 DEADHO CC(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC001507324499 1063098049 /nfs/dbraw/zinc/09/80/49/1063098049.db2.gz KBSGINJPDRFFNL-IRXDYDNUSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2csc(C)c2)C[C@@H]1C ZINC001507329253 1063105174 /nfs/dbraw/zinc/10/51/74/1063105174.db2.gz UGTHWJLUDCINKV-BBRMVZONSA-N 1 3 323.506 2.477 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CCF ZINC001480832631 1063423055 /nfs/dbraw/zinc/42/30/55/1063423055.db2.gz CXVWYCIZHNBEEP-JKSUJKDBSA-N 1 3 313.461 2.191 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CCF ZINC001480832631 1063423062 /nfs/dbraw/zinc/42/30/62/1063423062.db2.gz CXVWYCIZHNBEEP-JKSUJKDBSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CCN(C/C=C/Cl)C1)[NH+]1CCCC1 ZINC001493224046 1063648621 /nfs/dbraw/zinc/64/86/21/1063648621.db2.gz UZBSPSHHGSFCIS-HZRUHFOJSA-N 1 3 313.873 2.051 20 0 DEADHO Cc1cc(C)cc(C[NH2+]CCN(C)C(=O)CN(C)C2CCC2)c1 ZINC001567508952 1064230705 /nfs/dbraw/zinc/23/07/05/1064230705.db2.gz KTQBVXCOOUTAHN-UHFFFAOYSA-N 1 3 317.477 2.336 20 0 DEADHO CCCCC[N@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001567737910 1064389594 /nfs/dbraw/zinc/38/95/94/1064389594.db2.gz KMEHTQRZYUVRLA-IRXDYDNUSA-N 1 3 309.498 2.299 20 0 DEADHO CCCCC[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001567737910 1064389608 /nfs/dbraw/zinc/38/96/08/1064389608.db2.gz KMEHTQRZYUVRLA-IRXDYDNUSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CCCCCF)C1)N(C)C ZINC001567925321 1064525095 /nfs/dbraw/zinc/52/50/95/1064525095.db2.gz LRHCNSXRLMUTRS-HZPDHXFCSA-N 1 3 315.477 2.245 20 0 DEADHO CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](CCCCCF)C1)N(C)C ZINC001567925321 1064525113 /nfs/dbraw/zinc/52/51/13/1064525113.db2.gz LRHCNSXRLMUTRS-HZPDHXFCSA-N 1 3 315.477 2.245 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@](C)(C[NH2+]CCCF)C1CC1 ZINC001495250740 1064786421 /nfs/dbraw/zinc/78/64/21/1064786421.db2.gz USYUFNHGHIQEOJ-RDJZCZTQSA-N 1 3 313.461 2.093 20 0 DEADHO CC[NH2+]C[C@](C)(NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001495277407 1064802675 /nfs/dbraw/zinc/80/26/75/1064802675.db2.gz OWFGHOQOUBFVEZ-DLBZAZTESA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC(CC[NH2+]CC2CC2)CC1)N(C)C ZINC001495435251 1064903158 /nfs/dbraw/zinc/90/31/58/1064903158.db2.gz SLPJGWAZYQZLJY-QGZVFWFLSA-N 1 3 309.498 2.201 20 0 DEADHO CCN(CC[NH2+]CCC(F)(F)F)C(=O)CN1CCC(C)CC1 ZINC001568786327 1065116093 /nfs/dbraw/zinc/11/60/93/1065116093.db2.gz VWEWZKNGVOZVDJ-UHFFFAOYSA-N 1 3 323.403 2.109 20 0 DEADHO COCCOCc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)cc1 ZINC001621108522 1078169785 /nfs/dbraw/zinc/16/97/85/1078169785.db2.gz REKMSRZJCCIOPT-IPMKNSEASA-N 1 3 318.461 2.279 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C\CNC/C=C\Cl)C1 ZINC001568905498 1065183610 /nfs/dbraw/zinc/18/36/10/1065183610.db2.gz ZRZTUCAZLQWVIX-VNIVACDZSA-N 1 3 313.873 2.123 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)NC/C=C\CNC/C=C\Cl)C1 ZINC001568905498 1065183614 /nfs/dbraw/zinc/18/36/14/1065183614.db2.gz ZRZTUCAZLQWVIX-VNIVACDZSA-N 1 3 313.873 2.123 20 0 DEADHO CC(C)C[NH2+]CC[C@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001496410129 1065453155 /nfs/dbraw/zinc/45/31/55/1065453155.db2.gz BPZJNAPSMGRBDZ-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CC/C=C/CC[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001569685149 1065670078 /nfs/dbraw/zinc/67/00/78/1065670078.db2.gz LXCOJRQAIKBGQB-LAQIPUCWSA-N 1 3 304.438 2.137 20 0 DEADHO CCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001569825778 1065746626 /nfs/dbraw/zinc/74/66/26/1065746626.db2.gz IYYRANHGQSFMKP-IRXDYDNUSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCCC1CCC1 ZINC001569849595 1065764542 /nfs/dbraw/zinc/76/45/42/1065764542.db2.gz YOAOUUVSZQCSEV-GOEBONIOSA-N 1 3 318.465 2.217 20 0 DEADHO CC(C)C[NH2+]CCN(Cc1ccccc1)C(=O)Cc1c[nH]cn1 ZINC001569871047 1065782084 /nfs/dbraw/zinc/78/20/84/1065782084.db2.gz TVWJOXCOXZHGNT-UHFFFAOYSA-N 1 3 314.433 2.227 20 0 DEADHO CCN(CC[NH2+]Cc1ccc(CF)cc1)C(=O)CN1CCCC1 ZINC001497501212 1066116362 /nfs/dbraw/zinc/11/63/62/1066116362.db2.gz MWCPWILQKXYQJK-UHFFFAOYSA-N 1 3 321.440 2.190 20 0 DEADHO CC(C)N(C)CC(=O)NC/C=C/C[NH2+][C@H](C)c1ccc(F)cc1 ZINC001497763295 1066293622 /nfs/dbraw/zinc/29/36/22/1066293622.db2.gz LAZALBMTYKCKRC-LLYBFZRZSA-N 1 3 321.440 2.489 20 0 DEADHO C[C@H](C[NH2+][C@H](C)c1ccccc1F)NC(=O)CN(C)C1CCC1 ZINC001497828787 1066351212 /nfs/dbraw/zinc/35/12/12/1066351212.db2.gz AZZPGQQOMMNHPK-ZIAGYGMSSA-N 1 3 321.440 2.465 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCc2ccccc21)N(C)C ZINC001497905598 1066407389 /nfs/dbraw/zinc/40/73/89/1066407389.db2.gz NPBPETWLUFPMSE-FHLIZLRMSA-N 1 3 317.477 2.354 20 0 DEADHO CC(C)[NH2+]CCC(=O)N(CCc1ccccc1)CCN(C)C ZINC001575727826 1066409581 /nfs/dbraw/zinc/40/95/81/1066409581.db2.gz UNCJEIKKPWXKNW-UHFFFAOYSA-N 1 3 305.466 2.007 20 0 DEADHO Cc1cc(C[NH2+]C[C@H](C)NC(=O)CN(C)C2CCC2)cs1 ZINC001498054081 1066480925 /nfs/dbraw/zinc/48/09/25/1066480925.db2.gz ZPBCIBDFHHCYIJ-LBPRGKRZSA-N 1 3 309.479 2.135 20 0 DEADHO C[C@](O)(CN[C@@H]1C[C@@H]([NH3+])C12CCOCC2)c1ccccc1Cl ZINC001576267096 1066541860 /nfs/dbraw/zinc/54/18/60/1066541860.db2.gz UYZGTGYQXCABPE-OAGGEKHMSA-N 1 3 324.852 2.034 20 0 DEADHO CC1(C)CCC[C@](O)(C[NH2+][C@@H]2C[C@H](N)C23CCOCC3)CC1 ZINC001576427682 1066603361 /nfs/dbraw/zinc/60/33/61/1066603361.db2.gz ZUVFCBIQDLMYKX-ZMSDIMECSA-N 1 3 310.482 2.194 20 0 DEADHO C[C@]1(C[NH3+])CCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC001576503653 1066623956 /nfs/dbraw/zinc/62/39/56/1066623956.db2.gz UNVWKPTYFVHRFD-LJQANCHMSA-N 1 3 315.461 2.483 20 0 DEADHO C[C@H]1[C@H](NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC001576580045 1066637834 /nfs/dbraw/zinc/63/78/34/1066637834.db2.gz SMBFYPSVSAWULE-DZJNRPSUSA-N 1 3 315.461 2.283 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CNCCO2)CCN1Cc1ccccc1 ZINC001576622389 1066646851 /nfs/dbraw/zinc/64/68/51/1066646851.db2.gz DBCLNAPMHKIVKX-NEWSRXKRSA-N 1 3 317.477 2.008 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CC[C@H](C)F ZINC001498658736 1066826374 /nfs/dbraw/zinc/82/63/74/1066826374.db2.gz QOPXEYNFIIBXFW-LSDHHAIUSA-N 1 3 301.450 2.047 20 0 DEADHO CCCN(C(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1)[C@H]1CCN(C)C1 ZINC001577485897 1066855672 /nfs/dbraw/zinc/85/56/72/1066855672.db2.gz ZIQNYTUUPRKGHI-HYVNUMGLSA-N 1 3 303.450 2.265 20 0 DEADHO CCCN(C(=O)NC[C@H]1CCN1C1CCCC1)C1CC[NH2+]CC1 ZINC001577488850 1066856436 /nfs/dbraw/zinc/85/64/36/1066856436.db2.gz JVUWIRXTJGWDPO-QGZVFWFLSA-N 1 3 322.497 2.177 20 0 DEADHO CCCN(C(=O)NCc1ccc([C@@H](C)[NH3+])cc1)[C@@H]1CCN(C)C1 ZINC001577492092 1066858401 /nfs/dbraw/zinc/85/84/01/1066858401.db2.gz HMHXDHRVYCIJGZ-RHSMWYFYSA-N 1 3 318.465 2.332 20 0 DEADHO CCCSC[C@@H](C)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC001577597122 1066880568 /nfs/dbraw/zinc/88/05/68/1066880568.db2.gz RACZOVSYFFKHQD-CYBMUJFWSA-N 1 3 319.478 2.347 20 0 DEADHO CC[NH+](CC)Cc1ccc(C(=O)N2CCNCC2(C)C)cc1 ZINC001577693050 1066906957 /nfs/dbraw/zinc/90/69/57/1066906957.db2.gz JOETXWPQXMHSAB-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO CCC/C=C/CCN1CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001498978660 1066996930 /nfs/dbraw/zinc/99/69/30/1066996930.db2.gz IDDQXLRKCIVKOP-UBZMYNMCSA-N 1 3 319.493 2.265 20 0 DEADHO CCOc1ccc(CN2CCC3(CC2)C[NH2+]CCO3)cc1OC ZINC001578179442 1067008323 /nfs/dbraw/zinc/00/83/23/1067008323.db2.gz KJYOUIPQJGTTAR-UHFFFAOYSA-N 1 3 320.433 2.048 20 0 DEADHO CN(C)[C@@H](CNC(=O)C1(C2CC[NH2+]CC2)CC1)c1ccccc1 ZINC001578406266 1067088412 /nfs/dbraw/zinc/08/84/12/1067088412.db2.gz NNIJEVOPYPYRJG-KRWDZBQOSA-N 1 3 315.461 2.185 20 0 DEADHO CN(CC(=O)N1CCC([C@H]2CCC[NH2+]CC2)CC1)C1CCC1 ZINC001578432999 1067100370 /nfs/dbraw/zinc/10/03/70/1067100370.db2.gz IYXUCXKGKOGLKE-HNNXBMFYSA-N 1 3 307.482 2.099 20 0 DEADHO CN(C[C@H]1CC[NH2+]C1)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001578454268 1067106586 /nfs/dbraw/zinc/10/65/86/1067106586.db2.gz XMOMRUOMDRYFSU-HNNXBMFYSA-N 1 3 311.470 2.175 20 0 DEADHO COC(=O)c1ccc(CNCc2cc3c(s2)CC[NH2+]C3)cc1 ZINC001578867662 1067185719 /nfs/dbraw/zinc/18/57/19/1067185719.db2.gz OZXZQPLDDNVFOF-UHFFFAOYSA-N 1 3 316.426 2.470 20 0 DEADHO COCC[N@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@H]1CC[C@@H](C)C1 ZINC001579032645 1067224451 /nfs/dbraw/zinc/22/44/51/1067224451.db2.gz CFKJDAUHRABKAF-BVBHFADKSA-N 1 3 320.477 2.054 20 0 DEADHO COCC[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@H]1CC[C@@H](C)C1 ZINC001579032645 1067224453 /nfs/dbraw/zinc/22/44/53/1067224453.db2.gz CFKJDAUHRABKAF-BVBHFADKSA-N 1 3 320.477 2.054 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001267006974 1078495424 /nfs/dbraw/zinc/49/54/24/1078495424.db2.gz YTVBPQHYBMTTOO-STQMWFEESA-N 1 3 321.387 2.004 20 0 DEADHO CC(C)[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001499610399 1067276405 /nfs/dbraw/zinc/27/64/05/1067276405.db2.gz POVLGLWWARHTCS-GOSISDBHSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001499610399 1067276406 /nfs/dbraw/zinc/27/64/06/1067276406.db2.gz POVLGLWWARHTCS-GOSISDBHSA-N 1 3 309.498 2.297 20 0 DEADHO COc1ccccc1NC(=O)[C@@H]1CCCN(CC2(C[NH3+])CC2)C1 ZINC001579310634 1067299955 /nfs/dbraw/zinc/29/99/55/1067299955.db2.gz VEFDVPWBLFGGDG-CQSZACIVSA-N 1 3 317.433 2.085 20 0 DEADHO COc1nccc(CN2CCC3(C[NH2+][C@@H]3C(C)C)CC2)c1F ZINC001579325184 1067306067 /nfs/dbraw/zinc/30/60/67/1067306067.db2.gz ICXWGAHEBLMMDJ-OAHLLOKOSA-N 1 3 307.413 2.439 20 0 DEADHO Cc1ccc(N2CCC[C@H](N3CCC4(C[NH2+]C4)CC3)C2=O)cc1 ZINC001579715026 1067409028 /nfs/dbraw/zinc/40/90/28/1067409028.db2.gz TXSWEFFXRGBIJH-KRWDZBQOSA-N 1 3 313.445 2.176 20 0 DEADHO N[C@H](CC1CC1)C(=O)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC001580122604 1067502096 /nfs/dbraw/zinc/50/20/96/1067502096.db2.gz XFUXVJYUMZTICB-QGZVFWFLSA-N 1 3 307.482 2.371 20 0 DEADHO C[C@@H]1CCC[C@H](CC[NH2+]CCN(C)C(=O)CN2CCCC2)C1 ZINC001267081765 1078554790 /nfs/dbraw/zinc/55/47/90/1078554790.db2.gz RXSJXSHLYXEGGZ-IAGOWNOFSA-N 1 3 309.498 2.347 20 0 DEADHO CN(CC(=O)N[C@@H]1CC[C@@H](C[NH2+]C/C=C/Cl)C1)C1CCC1 ZINC001571535756 1068404368 /nfs/dbraw/zinc/40/43/68/1068404368.db2.gz GMAXOYHEKADPPP-DHSKRYKKSA-N 1 3 313.873 2.098 20 0 DEADHO CCCCCCN(C)CC(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001641692910 1078723300 /nfs/dbraw/zinc/72/33/00/1078723300.db2.gz HNWYCGPDNJMCLI-ROUUACIJSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)[N@@H+](C/C=C/Cl)CCCNC(=O)[C@H]1CCCN1C ZINC001267308403 1078754237 /nfs/dbraw/zinc/75/42/37/1078754237.db2.gz WXOMOGLRRURBLU-LHRNQBEKSA-N 1 3 301.862 2.050 20 0 DEADHO CC(C)[N@H+](C/C=C/Cl)CCCNC(=O)[C@H]1CCCN1C ZINC001267308403 1078754238 /nfs/dbraw/zinc/75/42/38/1078754238.db2.gz WXOMOGLRRURBLU-LHRNQBEKSA-N 1 3 301.862 2.050 20 0 DEADHO CC(C)[N@@H+](C/C=C\Cl)CCCNC(=O)[C@H]1CCCN1C ZINC001267308402 1078754897 /nfs/dbraw/zinc/75/48/97/1078754897.db2.gz WXOMOGLRRURBLU-BMWLXYDHSA-N 1 3 301.862 2.050 20 0 DEADHO CC(C)[N@H+](C/C=C\Cl)CCCNC(=O)[C@H]1CCCN1C ZINC001267308402 1078754900 /nfs/dbraw/zinc/75/49/00/1078754900.db2.gz WXOMOGLRRURBLU-BMWLXYDHSA-N 1 3 301.862 2.050 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@H]1CCCCN1C ZINC001519752867 1069071672 /nfs/dbraw/zinc/07/16/72/1069071672.db2.gz LXJUFVMBMXVJRZ-JKSUJKDBSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)NC[C@H]1CCCCN1C ZINC001519752867 1069071680 /nfs/dbraw/zinc/07/16/80/1069071680.db2.gz LXJUFVMBMXVJRZ-JKSUJKDBSA-N 1 3 310.486 2.034 20 0 DEADHO CC1CCN(CC(=O)N(C)CC[NH2+]CCc2cccs2)CC1 ZINC001267445488 1078856719 /nfs/dbraw/zinc/85/67/19/1078856719.db2.gz BLNUPLCGEZKOSJ-UHFFFAOYSA-N 1 3 323.506 2.071 20 0 DEADHO Cc1cccc(Cl)c1CNCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267469004 1078885644 /nfs/dbraw/zinc/88/56/44/1078885644.db2.gz GDPSOOUUCCSMNV-CQSZACIVSA-N 1 3 323.868 2.148 20 0 DEADHO Cc1cccc(Cl)c1CNCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267469004 1078885648 /nfs/dbraw/zinc/88/56/48/1078885648.db2.gz GDPSOOUUCCSMNV-CQSZACIVSA-N 1 3 323.868 2.148 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@@H](CC[NH2+]C/C=C/Cl)C1)N(C)C ZINC001272465442 1078899133 /nfs/dbraw/zinc/89/91/33/1078899133.db2.gz GLMVZGFVSUBIBM-ZRJDUIELSA-N 1 3 315.889 2.153 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@H+](C)[C@H]1CCCc2ccccc21 ZINC001480951747 1078901740 /nfs/dbraw/zinc/90/17/40/1078901740.db2.gz LXYXVRWVGSTETK-SFHVURJKSA-N 1 3 317.477 2.452 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC001480951747 1078901750 /nfs/dbraw/zinc/90/17/50/1078901750.db2.gz LXYXVRWVGSTETK-SFHVURJKSA-N 1 3 317.477 2.452 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](C)CCc1cccs1 ZINC001480951769 1078902176 /nfs/dbraw/zinc/90/21/76/1078902176.db2.gz MHEATDYZVFJQBO-MRXNPFEDSA-N 1 3 323.506 2.213 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](C)CCc1cccs1 ZINC001480951769 1078902183 /nfs/dbraw/zinc/90/21/83/1078902183.db2.gz MHEATDYZVFJQBO-MRXNPFEDSA-N 1 3 323.506 2.213 20 0 DEADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC[C@@H]3CCCCN3C3CC3)C[N@@H+]2C1 ZINC001548694020 1072810207 /nfs/dbraw/zinc/81/02/07/1072810207.db2.gz KIDRDXCPQBAMQK-LMSBXDPUSA-N 1 3 319.493 2.240 20 0 DEADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC[C@@H]3CCCCN3C3CC3)C[N@H+]2C1 ZINC001548694020 1072810214 /nfs/dbraw/zinc/81/02/14/1072810214.db2.gz KIDRDXCPQBAMQK-LMSBXDPUSA-N 1 3 319.493 2.240 20 0 DEADHO C[NH+](C)CCN1CC2(CCC1=O)CCN(Cc1ccco1)CC2 ZINC001272583741 1078985117 /nfs/dbraw/zinc/98/51/17/1078985117.db2.gz BUBRXSMSWKEWMP-UHFFFAOYSA-N 1 3 319.449 2.046 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(NCC=C(Cl)Cl)CC1 ZINC001483747687 1078986852 /nfs/dbraw/zinc/98/68/52/1078986852.db2.gz VGPJSOTVPXCVCT-LLVKDONJSA-N 1 3 320.264 2.028 20 0 DEADHO C[N@H+]1CCCC[C@@H]1C(=O)NCC1(NCC=C(Cl)Cl)CC1 ZINC001483747687 1078986856 /nfs/dbraw/zinc/98/68/56/1078986856.db2.gz VGPJSOTVPXCVCT-LLVKDONJSA-N 1 3 320.264 2.028 20 0 DEADHO c1nc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc2c1OCO2 ZINC001549039054 1072991367 /nfs/dbraw/zinc/99/13/67/1072991367.db2.gz KVAVCVBVFXSYMY-ZIAGYGMSSA-N 1 3 303.406 2.022 20 0 DEADHO c1nc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc2c1OCO2 ZINC001549039045 1072991627 /nfs/dbraw/zinc/99/16/27/1072991627.db2.gz KVAVCVBVFXSYMY-KBPBESRZSA-N 1 3 303.406 2.022 20 0 DEADHO COc1cccc(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@@]3(CN)C2)c1 ZINC001549117505 1073031037 /nfs/dbraw/zinc/03/10/37/1073031037.db2.gz SMFFOTGGNLOCNT-KBXCAEBGSA-N 1 3 317.433 2.085 20 0 DEADHO COc1cccc(NC(=O)CC[N@H+]2C[C@@H]3CCC[C@@]3(CN)C2)c1 ZINC001549117505 1073031046 /nfs/dbraw/zinc/03/10/46/1073031046.db2.gz SMFFOTGGNLOCNT-KBXCAEBGSA-N 1 3 317.433 2.085 20 0 DEADHO CC[N@H+](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)CC1CC1 ZINC001481000893 1079045822 /nfs/dbraw/zinc/04/58/22/1079045822.db2.gz JNSTUONIAHQMGY-KRWDZBQOSA-N 1 3 313.461 2.047 20 0 DEADHO CC[N@@H+](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)CC1CC1 ZINC001481000893 1079045828 /nfs/dbraw/zinc/04/58/28/1079045828.db2.gz JNSTUONIAHQMGY-KRWDZBQOSA-N 1 3 313.461 2.047 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2C[C@H]3CCC[C@@]3(C[NH3+])C2)c1 ZINC001549523891 1073186584 /nfs/dbraw/zinc/18/65/84/1073186584.db2.gz SRRXWCADVHVSJP-CRAIPNDOSA-N 1 3 316.449 2.341 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@H]1NC1CC(S(=O)(=O)c2ccccc2)C1 ZINC001549922026 1073334890 /nfs/dbraw/zinc/33/48/90/1073334890.db2.gz WAYAXTMESUXAEW-RKHAHWSXSA-N 1 3 322.474 2.098 20 0 DEADHO NC[C@H]1CCCC[C@H]1[NH2+]C1CC(S(=O)(=O)c2ccccc2)C1 ZINC001549922026 1073334895 /nfs/dbraw/zinc/33/48/95/1073334895.db2.gz WAYAXTMESUXAEW-RKHAHWSXSA-N 1 3 322.474 2.098 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC001483787117 1079120993 /nfs/dbraw/zinc/12/09/93/1079120993.db2.gz OHBYMKZRFDTHKH-CYBMUJFWSA-N 1 3 317.424 2.002 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCC1)N1CCCC1 ZINC001481072109 1079149728 /nfs/dbraw/zinc/14/97/28/1079149728.db2.gz VTSZTGPOOWJENT-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1CCC1)N1CCCC1 ZINC001481072109 1079149734 /nfs/dbraw/zinc/14/97/34/1079149734.db2.gz VTSZTGPOOWJENT-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO Nc1c(F)cccc1CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC001550705661 1073817473 /nfs/dbraw/zinc/81/74/73/1073817473.db2.gz ZIYUHWHQJUOEDM-RDJZCZTQSA-N 1 3 307.413 2.126 20 0 DEADHO CCC(CC)C[NH2+]C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001483933936 1079194764 /nfs/dbraw/zinc/19/47/64/1079194764.db2.gz MKBOHSJSCVLJPP-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CCN1C[C@H](O)[C@@H](Cc2ccccc2)C1 ZINC001551014235 1074010815 /nfs/dbraw/zinc/01/08/15/1074010815.db2.gz LDPMYWISVCIVDU-OTWHNJEPSA-N 1 3 302.462 2.396 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CCN1C[C@H](O)[C@@H](Cc2ccccc2)C1 ZINC001551014235 1074010821 /nfs/dbraw/zinc/01/08/21/1074010821.db2.gz LDPMYWISVCIVDU-OTWHNJEPSA-N 1 3 302.462 2.396 20 0 DEADHO CCc1nn(C)cc1C[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001551237981 1074127429 /nfs/dbraw/zinc/12/74/29/1074127429.db2.gz DZHGIKKBMOIZAR-UHFFFAOYSA-N 1 3 320.481 2.106 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@H]2Cc3ccccc3[C@H]2[NH3+])c1 ZINC001551308841 1074157844 /nfs/dbraw/zinc/15/78/44/1074157844.db2.gz KYCRQXHJWQEIGR-ZWKOTPCHSA-N 1 3 324.428 2.494 20 0 DEADHO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001551389183 1074200422 /nfs/dbraw/zinc/20/04/22/1074200422.db2.gz JNISYGMPXFTDDC-YQBZFSLMSA-N 1 3 321.509 2.092 20 0 DEADHO C[C@@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)c1cnn(C)c1 ZINC001551390846 1074201531 /nfs/dbraw/zinc/20/15/31/1074201531.db2.gz OQOXFKHZMZTHBF-ODIFPOPNSA-N 1 3 306.454 2.104 20 0 DEADHO CC[C@@H](C)N[C@H](CNC(=O)N1CCCC[C@H]1C[NH3+])c1ccco1 ZINC001646192813 1074367861 /nfs/dbraw/zinc/36/78/61/1074367861.db2.gz JNQPJQFDKZMSRH-QLFBSQMISA-N 1 3 322.453 2.232 20 0 DEADHO CCOC(=O)c1cc(CN2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)on1 ZINC001646376533 1074433439 /nfs/dbraw/zinc/43/34/39/1074433439.db2.gz HYJNBLYASAWPPU-MJBXVCDLSA-N 1 3 321.421 2.013 20 0 DEADHO C[C@H]1CCCN(C(=O)c2cccc3c2CNC3)[C@@H]1CCC[NH3+] ZINC001552440006 1074576440 /nfs/dbraw/zinc/57/64/40/1074576440.db2.gz HZXXURDTYMJQGD-SUMWQHHRSA-N 1 3 301.434 2.269 20 0 DEADHO CCn1nccc1[C@H]1OCCC[C@@H]1C[NH+]1CCC(N(C)C)CC1 ZINC001552520015 1074594173 /nfs/dbraw/zinc/59/41/73/1074594173.db2.gz XFPYVKQGYDRXLL-QAPCUYQASA-N 1 3 320.481 2.397 20 0 DEADHO CN(C)[C@@H]1CCC[N@H+](C[C@H]2CCCO[C@H]2c2nccn2C)CC1 ZINC001552529737 1074599862 /nfs/dbraw/zinc/59/98/62/1074599862.db2.gz HLAMFKFZTSFLSP-BRWVUGGUSA-N 1 3 320.481 2.304 20 0 DEADHO CN(C)[C@@H]1CCC[N@@H+](C[C@H]2CCCO[C@H]2c2nccn2C)CC1 ZINC001552529737 1074599868 /nfs/dbraw/zinc/59/98/68/1074599868.db2.gz HLAMFKFZTSFLSP-BRWVUGGUSA-N 1 3 320.481 2.304 20 0 DEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)CC(C)(C)C[NH3+])CC1 ZINC001646753373 1074600458 /nfs/dbraw/zinc/60/04/58/1074600458.db2.gz BRTDAWSYAVASID-AWEZNQCLSA-N 1 3 318.465 2.098 20 0 DEADHO CC(C)CN1CCC[C@H]1C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC001646777499 1074614129 /nfs/dbraw/zinc/61/41/29/1074614129.db2.gz RVYFMKAGTGMMKH-INIZCTEOSA-N 1 3 317.433 2.228 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC001646931862 1074702401 /nfs/dbraw/zinc/70/24/01/1074702401.db2.gz OXHOENULMJTUKG-HUUCEWRRSA-N 1 3 312.502 2.136 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CC(C)C)C1 ZINC001484125709 1079314617 /nfs/dbraw/zinc/31/46/17/1079314617.db2.gz PKSNTAMENPTDME-SJLPKXTDSA-N 1 3 309.498 2.345 20 0 DEADHO COc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1C ZINC001646978341 1074742507 /nfs/dbraw/zinc/74/25/07/1074742507.db2.gz CYRKFLFNUDASML-HNNXBMFYSA-N 1 3 321.465 2.005 20 0 DEADHO COc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1C ZINC001646978341 1074742515 /nfs/dbraw/zinc/74/25/15/1074742515.db2.gz CYRKFLFNUDASML-HNNXBMFYSA-N 1 3 321.465 2.005 20 0 DEADHO C[NH+](C)CCC(=O)NC[C@@]1(C)CCCN(CCC(F)(F)F)C1 ZINC001484168050 1079342162 /nfs/dbraw/zinc/34/21/62/1079342162.db2.gz VHUVTADJUSSPAT-CQSZACIVSA-N 1 3 323.403 2.109 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001647614860 1074956257 /nfs/dbraw/zinc/95/62/57/1074956257.db2.gz FUOBDHQIGUFRAV-QZTJIDSGSA-N 1 3 315.461 2.109 20 0 DEADHO CN1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001647614860 1074956258 /nfs/dbraw/zinc/95/62/58/1074956258.db2.gz FUOBDHQIGUFRAV-QZTJIDSGSA-N 1 3 315.461 2.109 20 0 DEADHO C[C@H](F)CC[NH2+]C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001566896058 1075006005 /nfs/dbraw/zinc/00/60/05/1075006005.db2.gz VGNPPMAZSIHISD-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO CCCCC[N@@H+]1CCC[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001566878281 1075371387 /nfs/dbraw/zinc/37/13/87/1075371387.db2.gz OVKFQSBIFORTRS-IRXDYDNUSA-N 1 3 309.498 2.347 20 0 DEADHO CCCCC[N@H+]1CCC[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001566878281 1075371389 /nfs/dbraw/zinc/37/13/89/1075371389.db2.gz OVKFQSBIFORTRS-IRXDYDNUSA-N 1 3 309.498 2.347 20 0 DEADHO CCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001566978098 1075406767 /nfs/dbraw/zinc/40/67/67/1075406767.db2.gz KZLZXZVKHHOUMS-YXISZKLHSA-N 1 3 307.482 2.096 20 0 DEADHO CCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001566978098 1075406769 /nfs/dbraw/zinc/40/67/69/1075406769.db2.gz KZLZXZVKHHOUMS-YXISZKLHSA-N 1 3 307.482 2.096 20 0 DEADHO CCC/C=C\CCN1C[C@@H]2C[C@H]1CN2C(=O)CC[N@H+](C)CC ZINC001267713950 1079401432 /nfs/dbraw/zinc/40/14/32/1079401432.db2.gz TVOSBJNEQKPGCQ-IIAQQRLMSA-N 1 3 307.482 2.360 20 0 DEADHO CCC/C=C\CCN1C[C@@H]2C[C@H]1CN2C(=O)CC[N@@H+](C)CC ZINC001267713950 1079401434 /nfs/dbraw/zinc/40/14/34/1079401434.db2.gz TVOSBJNEQKPGCQ-IIAQQRLMSA-N 1 3 307.482 2.360 20 0 DEADHO [NH3+]CCN1CCC(N[C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC001580310379 1075899577 /nfs/dbraw/zinc/89/95/77/1075899577.db2.gz PAZDNXSTBPUMII-ZDUSSCGKSA-N 1 3 313.367 2.104 20 0 DEADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)C12CCC(CC1)[NH2+]2 ZINC001580630969 1075966199 /nfs/dbraw/zinc/96/61/99/1075966199.db2.gz MFPFCNARWDNZIZ-TVRKMHQQSA-N 1 3 313.445 2.224 20 0 DEADHO C[NH+](C)C1(C)CCC([NH2+]Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC001591007710 1076703008 /nfs/dbraw/zinc/70/30/08/1076703008.db2.gz WIHJYTLFFBCIKE-UHFFFAOYSA-N 1 3 320.466 2.281 20 0 DEADHO C[NH+](C)C1(C)CCC([NH2+]Cc2cc(-c3nn[n-]n3)cs2)CC1 ZINC001591007710 1076703010 /nfs/dbraw/zinc/70/30/10/1076703010.db2.gz WIHJYTLFFBCIKE-UHFFFAOYSA-N 1 3 320.466 2.281 20 0 DEADHO [NH3+]CCC[C@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001592745345 1076957866 /nfs/dbraw/zinc/95/78/66/1076957866.db2.gz PHXLYJQLPSMQMG-KRWDZBQOSA-N 1 3 322.416 2.437 20 0 DEADHO [NH3+]CCC[C@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001592745345 1076957871 /nfs/dbraw/zinc/95/78/71/1076957871.db2.gz PHXLYJQLPSMQMG-KRWDZBQOSA-N 1 3 322.416 2.437 20 0 DEADHO CC(C)CCC[NH2+]C[C@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001267962857 1079642688 /nfs/dbraw/zinc/64/26/88/1079642688.db2.gz ABFJKYPHDJHKSG-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)CC1)N(C)C ZINC001484725124 1079749033 /nfs/dbraw/zinc/74/90/33/1079749033.db2.gz YDAUPKLVBVPOBT-ROUUACIJSA-N 1 3 317.477 2.498 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1)N(C)C ZINC001484725124 1079749039 /nfs/dbraw/zinc/74/90/39/1079749039.db2.gz YDAUPKLVBVPOBT-ROUUACIJSA-N 1 3 317.477 2.498 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCc2ccccc2)C1 ZINC001484909890 1079855407 /nfs/dbraw/zinc/85/54/07/1079855407.db2.gz QNDPLXIKCLVPGG-FUHWJXTLSA-N 1 3 317.477 2.006 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]Cc1ccsc1 ZINC001485156830 1080029244 /nfs/dbraw/zinc/02/92/44/1080029244.db2.gz PUIFOZFAXPVTEB-STQMWFEESA-N 1 3 309.479 2.215 20 0 DEADHO CC[C@H](F)C[NH2+]CC[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001268167216 1080151368 /nfs/dbraw/zinc/15/13/68/1080151368.db2.gz QQUMWNUOGLNFEA-HOTGVXAUSA-N 1 3 315.477 2.436 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+]CCOCC2CCC2)CC1 ZINC001658414497 1080206514 /nfs/dbraw/zinc/20/65/14/1080206514.db2.gz KOJHRADMIAAQLA-UHFFFAOYSA-N 1 3 310.482 2.426 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2[C@@H](CC[N@H+]2CCCCCF)C1 ZINC001268269343 1080250590 /nfs/dbraw/zinc/25/05/90/1080250590.db2.gz UEVWBFVKXXTTSI-GOEBONIOSA-N 1 3 322.428 2.015 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCCCCF)C1 ZINC001268269343 1080250597 /nfs/dbraw/zinc/25/05/97/1080250597.db2.gz UEVWBFVKXXTTSI-GOEBONIOSA-N 1 3 322.428 2.015 20 0 DEADHO CC[N@H+](C)CCC(=O)NCC1CN([C@H]2CCc3ccccc32)C1 ZINC001481653051 1080252747 /nfs/dbraw/zinc/25/27/47/1080252747.db2.gz BFBJSRXBBZOAKD-SFHVURJKSA-N 1 3 315.461 2.064 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCC1CN([C@H]2CCc3ccccc32)C1 ZINC001481653051 1080252755 /nfs/dbraw/zinc/25/27/55/1080252755.db2.gz BFBJSRXBBZOAKD-SFHVURJKSA-N 1 3 315.461 2.064 20 0 DEADHO CN1CCN(Cc2ccc(C[NH2+]C3CCSCC3)cc2)CC1 ZINC000075820879 1080255776 /nfs/dbraw/zinc/25/57/76/1080255776.db2.gz JEIFUUNUQXNGLJ-UHFFFAOYSA-N 1 3 319.518 2.419 20 0 DEADHO CC(C)N(C)CC(=O)NCC1C[NH+](CC2CCCCCC2)C1 ZINC001481669334 1080276905 /nfs/dbraw/zinc/27/69/05/1080276905.db2.gz IMERLIQGANZPHM-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccccc1C)N(C)C ZINC001268416066 1080450983 /nfs/dbraw/zinc/45/09/83/1080450983.db2.gz SBSICJPMDUVETH-DOTOQJQBSA-N 1 3 305.466 2.320 20 0 DEADHO CC(C)=CC[N@H+]1CCC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001661739738 1080516649 /nfs/dbraw/zinc/51/66/49/1080516649.db2.gz RIMZESONTKIRQK-IAGOWNOFSA-N 1 3 307.482 2.123 20 0 DEADHO CC(C)=CC[N@@H+]1CCC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001661739738 1080516659 /nfs/dbraw/zinc/51/66/59/1080516659.db2.gz RIMZESONTKIRQK-IAGOWNOFSA-N 1 3 307.482 2.123 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCCC1 ZINC001482111572 1080812639 /nfs/dbraw/zinc/81/26/39/1080812639.db2.gz YTILNKLSHLGJKC-RDJZCZTQSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)CC[NH2+]C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001663995228 1080847430 /nfs/dbraw/zinc/84/74/30/1080847430.db2.gz AHLJQKABOBOEBQ-KGLIPLIRSA-N 1 3 319.440 2.056 20 0 DEADHO CN(CCNCc1ccsc1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001664007943 1080848457 /nfs/dbraw/zinc/84/84/57/1080848457.db2.gz BVYHTYIFYLHJSN-JKSUJKDBSA-N 1 3 321.490 2.313 20 0 DEADHO CN(CCNCc1ccsc1)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001664007943 1080848464 /nfs/dbraw/zinc/84/84/64/1080848464.db2.gz BVYHTYIFYLHJSN-JKSUJKDBSA-N 1 3 321.490 2.313 20 0 DEADHO CC[C@H](C(=O)NC/C=C/C[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001268619291 1080897391 /nfs/dbraw/zinc/89/73/91/1080897391.db2.gz SRPYSCHXVUTUSL-DKRLNXSXSA-N 1 3 321.440 2.236 20 0 DEADHO C[C@H](C[NH2+]C/C=C/Cl)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001268661665 1080921681 /nfs/dbraw/zinc/92/16/81/1080921681.db2.gz DSTLZWGZMXCKEW-QKOWSDGPSA-N 1 3 319.852 2.046 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CCc1ccccc1F)N(C)C ZINC001268712468 1080947677 /nfs/dbraw/zinc/94/76/77/1080947677.db2.gz XGJKUMQXHRJGAG-WMLDXEAASA-N 1 3 323.456 2.049 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC(CC[NH2+]CCCF)CC1)N(C)C ZINC001666259961 1081138295 /nfs/dbraw/zinc/13/82/95/1081138295.db2.gz ZRPJFAPGQPKCOU-INIZCTEOSA-N 1 3 315.477 2.151 20 0 DEADHO CCCCC[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001667177371 1081220610 /nfs/dbraw/zinc/22/06/10/1081220610.db2.gz WAZZTNOQDXUUDT-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCCF ZINC001269470979 1081258550 /nfs/dbraw/zinc/25/85/50/1081258550.db2.gz CWGWZWDZMRQAGQ-BBRMVZONSA-N 1 3 319.440 2.043 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccccc1F)N(C)C ZINC001668203010 1081327495 /nfs/dbraw/zinc/32/74/95/1081327495.db2.gz MKMKWOTUYGRQKF-RHSMWYFYSA-N 1 3 323.456 2.396 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1CNCCF)[NH+]1CCCCC1 ZINC001270193080 1081471955 /nfs/dbraw/zinc/47/19/55/1081471955.db2.gz GIROQDOTPAZVBB-HZPDHXFCSA-N 1 3 313.461 2.047 20 0 DEADHO CN(CCC[NH2+]Cc1ccc(CF)cc1)C(=O)[C@@H]1CCCN1C ZINC001670041459 1081492362 /nfs/dbraw/zinc/49/23/62/1081492362.db2.gz AZPZJLILQRDXKZ-KRWDZBQOSA-N 1 3 321.440 2.188 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001672419444 1081595038 /nfs/dbraw/zinc/59/50/38/1081595038.db2.gz HXEIKSWEHUADGJ-FPXTWJHWSA-N 1 3 319.493 2.217 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001672419444 1081595043 /nfs/dbraw/zinc/59/50/43/1081595043.db2.gz HXEIKSWEHUADGJ-FPXTWJHWSA-N 1 3 319.493 2.217 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001672419445 1081595211 /nfs/dbraw/zinc/59/52/11/1081595211.db2.gz HXEIKSWEHUADGJ-PSUYNTKASA-N 1 3 319.493 2.217 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001672419445 1081595218 /nfs/dbraw/zinc/59/52/18/1081595218.db2.gz HXEIKSWEHUADGJ-PSUYNTKASA-N 1 3 319.493 2.217 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2ccsc2)C1 ZINC001280273976 1081606323 /nfs/dbraw/zinc/60/63/23/1081606323.db2.gz KUEUIQKCXBGGKS-OAHLLOKOSA-N 1 3 323.506 2.418 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@](C)(C[NH2+]CCF)C2)c1 ZINC001270848592 1081743594 /nfs/dbraw/zinc/74/35/94/1081743594.db2.gz USCIOARIROSLTD-GOSISDBHSA-N 1 3 321.440 2.160 20 0 DEADHO Cc1cccc([C@H](C)[NH2+]CCN(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001493501722 1081752596 /nfs/dbraw/zinc/75/25/96/1081752596.db2.gz WZTQYDJAWWQEJF-RDJZCZTQSA-N 1 3 303.450 2.198 20 0 DEADHO C[C@H](C(=O)N1CCC2(C[NH+](C3CCCC3)C2)CC1)N1CCCC1 ZINC001271213617 1081991263 /nfs/dbraw/zinc/99/12/63/1081991263.db2.gz CBSRXSKWYQTXFR-MRXNPFEDSA-N 1 3 319.493 2.338 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](CC1CC(C)C1)C1CC1 ZINC001493450701 1082165637 /nfs/dbraw/zinc/16/56/37/1082165637.db2.gz VXMKCIVAIPQENU-HTWSVDAQSA-N 1 3 321.509 2.488 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](CC1CC(C)C1)C1CC1 ZINC001493450701 1082165642 /nfs/dbraw/zinc/16/56/42/1082165642.db2.gz VXMKCIVAIPQENU-HTWSVDAQSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](F)CNCCN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001266755002 1082323391 /nfs/dbraw/zinc/32/33/91/1082323391.db2.gz ZZAAGVNSKIVWON-AWEZNQCLSA-N 1 3 315.477 2.436 20 0 DEADHO CC[C@H](F)CNCCN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001266755002 1082323398 /nfs/dbraw/zinc/32/33/98/1082323398.db2.gz ZZAAGVNSKIVWON-AWEZNQCLSA-N 1 3 315.477 2.436 20 0 DEADHO C[C@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482649023 1082432455 /nfs/dbraw/zinc/43/24/55/1082432455.db2.gz GDQSMCSTQZATBS-ZBFHGGJFSA-N 1 3 321.440 2.229 20 0 DEADHO C[C@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482649023 1082432460 /nfs/dbraw/zinc/43/24/60/1082432460.db2.gz GDQSMCSTQZATBS-ZBFHGGJFSA-N 1 3 321.440 2.229 20 0 DEADHO CC[C@@H](C(=O)NC1CC(C[NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001409276165 1082736739 /nfs/dbraw/zinc/73/67/39/1082736739.db2.gz HXUGXHDGAYTPRD-PREGVCBESA-N 1 3 321.509 2.391 20 0 DEADHO C[C@@H](NCc1ccns1)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001409472806 1082907890 /nfs/dbraw/zinc/90/78/90/1082907890.db2.gz NXPYAQNNEVOLPN-KGLIPLIRSA-N 1 3 324.494 2.002 20 0 DEADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)CCc1ccccc1 ZINC001409571708 1082960195 /nfs/dbraw/zinc/96/01/95/1082960195.db2.gz WNXXRJIEIADYLJ-INIZCTEOSA-N 1 3 317.477 2.150 20 0 DEADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)CCc1ccccc1 ZINC001409571708 1082960200 /nfs/dbraw/zinc/96/02/00/1082960200.db2.gz WNXXRJIEIADYLJ-INIZCTEOSA-N 1 3 317.477 2.150 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[N@H+](C)CCc1cccs1 ZINC001409612487 1082983263 /nfs/dbraw/zinc/98/32/63/1082983263.db2.gz CIAPKCJDBGFIMJ-CABCVRRESA-N 1 3 323.506 2.069 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[N@@H+](C)CCc1cccs1 ZINC001409612487 1082983267 /nfs/dbraw/zinc/98/32/67/1082983267.db2.gz CIAPKCJDBGFIMJ-CABCVRRESA-N 1 3 323.506 2.069 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]C/C=C/c1ccccc1)N(C)C ZINC001483263214 1083062781 /nfs/dbraw/zinc/06/27/81/1083062781.db2.gz RWYSXYLAEGUQKG-WMOQIWBFSA-N 1 3 317.477 2.380 20 0 DEADHO C[C@@H](CNC/C=C/Cl)NC(=O)CCC[NH+]1CCCCC1 ZINC001483293187 1083077846 /nfs/dbraw/zinc/07/78/46/1083077846.db2.gz OWUJOFQZSMKEOU-OWNNVSBGSA-N 1 3 301.862 2.099 20 0 DEADHO C[C@H](C[N@H+](C)CCc1cccs1)NC(=O)CN(C)C1CCC1 ZINC001483348064 1083120523 /nfs/dbraw/zinc/12/05/23/1083120523.db2.gz RGQSIQIPLGSZEX-CQSZACIVSA-N 1 3 323.506 2.211 20 0 DEADHO C[C@H](C[N@@H+](C)CCc1cccs1)NC(=O)CN(C)C1CCC1 ZINC001483348064 1083120526 /nfs/dbraw/zinc/12/05/26/1083120526.db2.gz RGQSIQIPLGSZEX-CQSZACIVSA-N 1 3 323.506 2.211 20 0 DEADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(C)C)CC2 ZINC001107582717 1083493529 /nfs/dbraw/zinc/49/35/29/1083493529.db2.gz RIYKYBJIBCTKKX-SJLPKXTDSA-N 1 3 309.498 2.345 20 0 DEADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(C)C)CC2 ZINC001107582717 1083493534 /nfs/dbraw/zinc/49/35/34/1083493534.db2.gz RIYKYBJIBCTKKX-SJLPKXTDSA-N 1 3 309.498 2.345 20 0 DEADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCC1)CC2 ZINC001107581450 1083498028 /nfs/dbraw/zinc/49/80/28/1083498028.db2.gz AISPDXJCOPUXCI-IEBWSBKVSA-N 1 3 321.509 2.489 20 0 DEADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCC1)CC2 ZINC001107581450 1083498034 /nfs/dbraw/zinc/49/80/34/1083498034.db2.gz AISPDXJCOPUXCI-IEBWSBKVSA-N 1 3 321.509 2.489 20 0 DEADHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001276635274 1083527147 /nfs/dbraw/zinc/52/71/47/1083527147.db2.gz DLPCMBVCNLJADL-HNSVSWJLSA-N 1 3 323.481 2.458 20 0 DEADHO CN1CC[C@]2(C1)CCC[N@H+](Cc1ccc(-n3cncn3)cc1)C2 ZINC001276871032 1083656705 /nfs/dbraw/zinc/65/67/05/1083656705.db2.gz VYWDIFGTYXRLLW-SFHVURJKSA-N 1 3 311.433 2.185 20 0 DEADHO CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(-n3cncn3)cc1)C2 ZINC001276871032 1083656708 /nfs/dbraw/zinc/65/67/08/1083656708.db2.gz VYWDIFGTYXRLLW-SFHVURJKSA-N 1 3 311.433 2.185 20 0 DEADHO CN1CCC[C@@H]([NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)CC1 ZINC001254529603 1083717357 /nfs/dbraw/zinc/71/73/57/1083717357.db2.gz OOMRYLPEYVALDA-ZIAGYGMSSA-N 1 3 308.388 2.496 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]CCF ZINC001277313279 1083907726 /nfs/dbraw/zinc/90/77/26/1083907726.db2.gz FRVPYSXZFPEGAD-LSDHHAIUSA-N 1 3 301.450 2.093 20 0 DEADHO CN1CCC([NH+]2CC3(CN(CCCC(F)(F)F)C3)C2)CC1 ZINC001277624863 1084064113 /nfs/dbraw/zinc/06/41/13/1084064113.db2.gz KHAYIQNKHAWTTQ-UHFFFAOYSA-N 1 3 305.388 2.041 20 0 DEADHO Cc1ccnc(N2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)c1 ZINC001277679356 1084091910 /nfs/dbraw/zinc/09/19/10/1084091910.db2.gz BSCLFABSTBJWEW-CALCHBBNSA-N 1 3 302.466 2.100 20 0 DEADHO CC(C)CC[C@H](N)C(=O)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC001649089320 1084106044 /nfs/dbraw/zinc/10/60/44/1084106044.db2.gz HPWQWCMGGDXYGH-RDJZCZTQSA-N 1 3 309.498 2.378 20 0 DEADHO CCCCCCN(C)CC(=O)NCCC[NH2+]CC[C@H](C)F ZINC001168594890 1084112311 /nfs/dbraw/zinc/11/23/11/1084112311.db2.gz CYCKEAALGSKJFI-HNNXBMFYSA-N 1 3 303.466 2.343 20 0 DEADHO CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCN1C ZINC001670928224 1084150456 /nfs/dbraw/zinc/15/04/56/1084150456.db2.gz RABOJNJVPOZTSG-NPYXIHBLSA-N 1 3 307.482 2.382 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1 ZINC001491473816 1084334747 /nfs/dbraw/zinc/33/47/47/1084334747.db2.gz MQPUTTBAJMQBKI-DOTOQJQBSA-N 1 3 303.450 2.155 20 0 DEADHO CC1(CN2CCN(c3ccc(F)cc3F)CC2)CC[NH2+]CC1 ZINC001235876376 1084556354 /nfs/dbraw/zinc/55/63/54/1084556354.db2.gz YCTOKOVKJLDYRN-UHFFFAOYSA-N 1 3 309.404 2.477 20 0 DEADHO CCOC(=O)[C@]12CN(Cc3cc(C)ccc3C)C[C@H]1C[NH2+]CC2 ZINC001236039153 1084596323 /nfs/dbraw/zinc/59/63/23/1084596323.db2.gz XFJXIFCRSRAQHQ-IEBWSBKVSA-N 1 3 316.445 2.278 20 0 DEADHO Cc1ccc(C(F)(F)F)c(CN(C)CCN2CC[NH2+]CC2)c1 ZINC001236083537 1084610381 /nfs/dbraw/zinc/61/03/81/1084610381.db2.gz TYDIJCRHMFUJHT-UHFFFAOYSA-N 1 3 315.383 2.351 20 0 DEADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)NCCF ZINC001485875591 1084958720 /nfs/dbraw/zinc/95/87/20/1084958720.db2.gz QVUNMOBVFZNNQV-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)NCCF ZINC001485875591 1084958726 /nfs/dbraw/zinc/95/87/26/1084958726.db2.gz QVUNMOBVFZNNQV-CABCVRRESA-N 1 3 313.461 2.047 20 0 DEADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]Cc2ccccc2)C1 ZINC001486481554 1085362254 /nfs/dbraw/zinc/36/22/54/1085362254.db2.gz SNBUWFOZYWQEKO-UHFFFAOYSA-N 1 3 303.450 2.107 20 0 DEADHO CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000960863828 1085487965 /nfs/dbraw/zinc/48/79/65/1085487965.db2.gz NMIAINDTAGNYAB-RHSMWYFYSA-N 1 3 313.461 2.142 20 0 DEADHO CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000960863828 1085487967 /nfs/dbraw/zinc/48/79/67/1085487967.db2.gz NMIAINDTAGNYAB-RHSMWYFYSA-N 1 3 313.461 2.142 20 0 DEADHO CC(C)C[NH2+]C1CC2(CC(NC(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000965034054 1085503958 /nfs/dbraw/zinc/50/39/58/1085503958.db2.gz JZMVKXALVLURON-UHFFFAOYSA-N 1 3 321.509 2.391 20 0 DEADHO CC[NH2+]C1CC2(CC(NC(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC000965928768 1085697641 /nfs/dbraw/zinc/69/76/41/1085697641.db2.gz MHTZNUFOHRXFJI-UHFFFAOYSA-N 1 3 315.461 2.399 20 0 DEADHO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCC3)C[C@H]21)N1CCCC1 ZINC000961468265 1085743644 /nfs/dbraw/zinc/74/36/44/1085743644.db2.gz WAJFGIHDMURVDJ-FVQHAEBGSA-N 1 3 319.493 2.097 20 0 DEADHO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21)N1CCCC1 ZINC000961468265 1085743650 /nfs/dbraw/zinc/74/36/50/1085743650.db2.gz WAJFGIHDMURVDJ-FVQHAEBGSA-N 1 3 319.493 2.097 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCC3CCC3)C[C@H]21 ZINC000961776090 1085858713 /nfs/dbraw/zinc/85/87/13/1085858713.db2.gz VXQMSCDNOGPFSL-NWGLXNPWSA-N 1 3 319.493 2.097 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]21 ZINC000961776090 1085858720 /nfs/dbraw/zinc/85/87/20/1085858720.db2.gz VXQMSCDNOGPFSL-NWGLXNPWSA-N 1 3 319.493 2.097 20 0 DEADHO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963315846 1086405412 /nfs/dbraw/zinc/40/54/12/1086405412.db2.gz ZWZNVIXRVOBRBB-RDJZCZTQSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963315846 1086405413 /nfs/dbraw/zinc/40/54/13/1086405413.db2.gz ZWZNVIXRVOBRBB-RDJZCZTQSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963367376 1086429070 /nfs/dbraw/zinc/42/90/70/1086429070.db2.gz OSNMMDQJQPJFFK-RDJZCZTQSA-N 1 3 318.465 2.311 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963367376 1086429077 /nfs/dbraw/zinc/42/90/77/1086429077.db2.gz OSNMMDQJQPJFFK-RDJZCZTQSA-N 1 3 318.465 2.311 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+][C@H]1CCc2ccccc21 ZINC001168756427 1086522890 /nfs/dbraw/zinc/52/28/90/1086522890.db2.gz YOLAXONBUSAZLD-KRWDZBQOSA-N 1 3 303.450 2.112 20 0 DEADHO CC(C)[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)CC1 ZINC000957559315 1088408519 /nfs/dbraw/zinc/40/85/19/1088408519.db2.gz FWHKPMCKYYAJNO-QGZVFWFLSA-N 1 3 321.509 2.440 20 0 DEADHO CC[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)CC1 ZINC000957563430 1088410030 /nfs/dbraw/zinc/41/00/30/1088410030.db2.gz GGNQCMGBTILNTI-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+](CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1)C(C)C ZINC000957753559 1088599166 /nfs/dbraw/zinc/59/91/66/1088599166.db2.gz WHQBWHFFMVXUMU-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CC[N@@H+](CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1)C(C)C ZINC000957753559 1088599177 /nfs/dbraw/zinc/59/91/77/1088599177.db2.gz WHQBWHFFMVXUMU-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H]1C[N@H+](CCC2CC2)C[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC001080188824 1088671405 /nfs/dbraw/zinc/67/14/05/1088671405.db2.gz UCWNQIHZHKQONO-ZTFGCOKTSA-N 1 3 319.493 2.097 20 0 DEADHO C[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC001080188824 1088671447 /nfs/dbraw/zinc/67/14/47/1088671447.db2.gz UCWNQIHZHKQONO-ZTFGCOKTSA-N 1 3 319.493 2.097 20 0 DEADHO C[C@H](C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1C)N1CCCCCC1 ZINC001080554461 1089061916 /nfs/dbraw/zinc/06/19/16/1089061916.db2.gz QVLGNMUKWQDXOO-BFYDXBDKSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1C)N1CCCCCC1 ZINC001080554461 1089061935 /nfs/dbraw/zinc/06/19/35/1089061935.db2.gz QVLGNMUKWQDXOO-BFYDXBDKSA-N 1 3 307.482 2.097 20 0 DEADHO CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1c1ccccc1 ZINC001081174975 1089363689 /nfs/dbraw/zinc/36/36/89/1089363689.db2.gz PHUJOXANODGSFL-RCCFBDPRSA-N 1 3 317.477 2.177 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCC2)C1)N(C)C ZINC001082574967 1090010202 /nfs/dbraw/zinc/01/02/02/1090010202.db2.gz CURMFCOHGLWJEX-OIISXLGYSA-N 1 3 309.498 2.199 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH]cn3)[C@@H]2C1 ZINC001084776381 1090439588 /nfs/dbraw/zinc/43/95/88/1090439588.db2.gz XFXOSWSAJNNTCH-RBSFLKMASA-N 1 3 318.465 2.266 20 0 DEADHO CC[C@@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH]cn3)[C@@H]2C1 ZINC001084776381 1090439591 /nfs/dbraw/zinc/43/95/91/1090439591.db2.gz XFXOSWSAJNNTCH-RBSFLKMASA-N 1 3 318.465 2.266 20 0 DEADHO C[C@H](NC/C=C\CNC(=O)CC[NH+](C)C)c1cccc(F)c1 ZINC001274330646 1091189900 /nfs/dbraw/zinc/18/99/00/1091189900.db2.gz DURUMYBYKXALLS-WSNITJDQSA-N 1 3 307.413 2.100 20 0 DEADHO C[NH+](C)CCC(=O)N[C@]12CCC[C@@H]1N(Cc1ccsc1)CC2 ZINC001410896211 1091200170 /nfs/dbraw/zinc/20/01/70/1091200170.db2.gz KDHRKPGYIYKYAU-RDJZCZTQSA-N 1 3 321.490 2.313 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC1CCCC1 ZINC001274607702 1091321933 /nfs/dbraw/zinc/32/19/33/1091321933.db2.gz AOFBAHZLSVYGTE-DKRLNXSXSA-N 1 3 307.482 2.313 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CCC2(CC[N@H+](C)C2)CC1 ZINC001274886681 1091457917 /nfs/dbraw/zinc/45/79/17/1091457917.db2.gz KJXVOOUAOHJRDK-UHFFFAOYSA-N 1 3 315.461 2.306 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CCC2(CC[N@@H+](C)C2)CC1 ZINC001274886681 1091457921 /nfs/dbraw/zinc/45/79/21/1091457921.db2.gz KJXVOOUAOHJRDK-UHFFFAOYSA-N 1 3 315.461 2.306 20 0 DEADHO CCc1ccc(CN2CC3(C2)CCN(CC[NH+](C)C)C3)s1 ZINC001276043033 1091474611 /nfs/dbraw/zinc/47/46/11/1091474611.db2.gz QCCFUUCFBYDZQW-UHFFFAOYSA-N 1 3 307.507 2.380 20 0 DEADHO CN(C)CC[N@@H+]1C[C@@H]2CCN(CCc3ccc(F)c(F)c3)[C@@H]2C1 ZINC001274992684 1091507965 /nfs/dbraw/zinc/50/79/65/1091507965.db2.gz GZGSKXYTOBMQQA-MAUKXSAKSA-N 1 3 323.431 2.075 20 0 DEADHO CN(C)CC[N@H+]1C[C@@H]2CCN(CCc3ccc(F)c(F)c3)[C@@H]2C1 ZINC001274992684 1091507971 /nfs/dbraw/zinc/50/79/71/1091507971.db2.gz GZGSKXYTOBMQQA-MAUKXSAKSA-N 1 3 323.431 2.075 20 0 DEADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](C[C@H]1CC=CCC1)CC2 ZINC001275040924 1091528576 /nfs/dbraw/zinc/52/85/76/1091528576.db2.gz WORPEOJLUFJKLJ-KRWDZBQOSA-N 1 3 319.493 2.219 20 0 DEADHO Cc1ccc(F)c(CN2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)c1 ZINC001276247325 1091738842 /nfs/dbraw/zinc/73/88/42/1091738842.db2.gz KDHOIXBFOVGQAF-ROUUACIJSA-N 1 3 305.441 2.344 20 0 DEADHO Cc1ccc(F)c(CN2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)c1 ZINC001276247325 1091738849 /nfs/dbraw/zinc/73/88/49/1091738849.db2.gz KDHOIXBFOVGQAF-ROUUACIJSA-N 1 3 305.441 2.344 20 0 DEADHO Cc1cnccc1CN1CCC2(CC[N@@H+](CCN(C)C)C2)CC1 ZINC001276257143 1091750590 /nfs/dbraw/zinc/75/05/90/1091750590.db2.gz TWWZGMLFFFYGFL-UHFFFAOYSA-N 1 3 316.493 2.240 20 0 DEADHO Cc1cnccc1CN1CCC2(CC[N@H+](CCN(C)C)C2)CC1 ZINC001276257143 1091750599 /nfs/dbraw/zinc/75/05/99/1091750599.db2.gz TWWZGMLFFFYGFL-UHFFFAOYSA-N 1 3 316.493 2.240 20 0 DEADHO C[NH+](C)CCN1CC[C@]2(C1)CCCN(Cc1ccncc1F)C2 ZINC001276297655 1091771345 /nfs/dbraw/zinc/77/13/45/1091771345.db2.gz PAIXUNIAZLIMJH-SFHVURJKSA-N 1 3 320.456 2.070 20 0 DEADHO CN(CCC[N@H+](C)CC1=CCCCC1)C(=O)[C@H]1CCCN1C ZINC001273495994 1091885020 /nfs/dbraw/zinc/88/50/20/1091885020.db2.gz PYUVFXZQXZNCKY-QGZVFWFLSA-N 1 3 307.482 2.361 20 0 DEADHO CN(CCC[N@@H+](C)CC1=CCCCC1)C(=O)[C@H]1CCCN1C ZINC001273495994 1091885026 /nfs/dbraw/zinc/88/50/26/1091885026.db2.gz PYUVFXZQXZNCKY-QGZVFWFLSA-N 1 3 307.482 2.361 20 0 DEADHO CCCC[N@@H+]1CCC[C@H](N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC000948765932 1091922485 /nfs/dbraw/zinc/92/24/85/1091922485.db2.gz DVACRBKEIWOEPI-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@H+]1CCC[C@H](N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC000948765932 1091922492 /nfs/dbraw/zinc/92/24/92/1091922492.db2.gz DVACRBKEIWOEPI-IRXDYDNUSA-N 1 3 309.498 2.441 20 0 DEADHO CCN(CC[NH2+]C/C=C/Cl)C(=O)CN(C)CC(C)(C)C ZINC001273610999 1091954183 /nfs/dbraw/zinc/95/41/83/1091954183.db2.gz SNYUXWYLVJLCHP-BQYQJAHWSA-N 1 3 303.878 2.155 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001411644115 1091956899 /nfs/dbraw/zinc/95/68/99/1091956899.db2.gz IMLYSCBPOAKRLC-GVDBMIGSSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001411644115 1091956906 /nfs/dbraw/zinc/95/69/06/1091956906.db2.gz IMLYSCBPOAKRLC-GVDBMIGSSA-N 1 3 309.498 2.343 20 0 DEADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000948853768 1091966676 /nfs/dbraw/zinc/96/66/76/1091966676.db2.gz AJULPAGDZJDOIK-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000948853768 1091966688 /nfs/dbraw/zinc/96/66/88/1091966688.db2.gz AJULPAGDZJDOIK-INIZCTEOSA-N 1 3 309.498 2.441 20 0 DEADHO CN(C)CC[NH2+][C@@]12CC[C@@](NCc3ccncc3)(C1)CCC2 ZINC001275889592 1092272162 /nfs/dbraw/zinc/27/21/62/1092272162.db2.gz WRZGHYKUJKJIFV-ZWKOTPCHSA-N 1 3 302.466 2.168 20 0 DEADHO COC(=O)c1ccc(CN2CCC3(CC[N@H+](C)C3)CC2)cc1 ZINC001275900311 1092287005 /nfs/dbraw/zinc/28/70/05/1092287005.db2.gz AJYHJFBMTHQULV-UHFFFAOYSA-N 1 3 302.418 2.391 20 0 DEADHO COC(=O)c1ccc(CN2CCC3(CC[N@@H+](C)C3)CC2)cc1 ZINC001275900311 1092287018 /nfs/dbraw/zinc/28/70/18/1092287018.db2.gz AJYHJFBMTHQULV-UHFFFAOYSA-N 1 3 302.418 2.391 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001488828764 1092789049 /nfs/dbraw/zinc/78/90/49/1092789049.db2.gz NSRVNAQXYAHJFH-VGWMRTNUSA-N 1 3 313.461 2.092 20 0 DEADHO CC[C@@H](C(=O)NCCC[N@H+](C)C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001490250141 1093259957 /nfs/dbraw/zinc/25/99/57/1093259957.db2.gz CWHNQXPVTIAUEO-KGLIPLIRSA-N 1 3 319.440 2.200 20 0 DEADHO CC[C@@H](C(=O)NCCC[N@@H+](C)C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001490250141 1093259960 /nfs/dbraw/zinc/25/99/60/1093259960.db2.gz CWHNQXPVTIAUEO-KGLIPLIRSA-N 1 3 319.440 2.200 20 0 DEADHO CN(CCF)C[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001490765555 1093517129 /nfs/dbraw/zinc/51/71/29/1093517129.db2.gz FFTYSUGVENQJRN-HZPDHXFCSA-N 1 3 313.461 2.001 20 0 DEADHO CN(CCF)C[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001490765555 1093517136 /nfs/dbraw/zinc/51/71/36/1093517136.db2.gz FFTYSUGVENQJRN-HZPDHXFCSA-N 1 3 313.461 2.001 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN1CCC1CCCCC1 ZINC001420872085 1171303710 /nfs/dbraw/zinc/30/37/10/1171303710.db2.gz LPKMLPZGEYZVND-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCCF)C2 ZINC001421031695 1171440416 /nfs/dbraw/zinc/44/04/16/1171440416.db2.gz QKGWTELMHUUKES-KRWDZBQOSA-N 1 3 313.461 2.002 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCCF)C2 ZINC001421031695 1171440421 /nfs/dbraw/zinc/44/04/21/1171440421.db2.gz QKGWTELMHUUKES-KRWDZBQOSA-N 1 3 313.461 2.002 20 0 DEADHO CC[C@H]1CN(Cc2ccccc2)CCN1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001236253347 1138344005 /nfs/dbraw/zinc/34/40/05/1138344005.db2.gz MJDZGKSASAAQAH-ROUUACIJSA-N 1 3 317.477 2.307 20 0 DEADHO C[C@@H]1CNCC(F)(F)[C@H]1C[N@H+](C1CCC1)C1CCNCC1 ZINC001236634982 1138388220 /nfs/dbraw/zinc/38/82/20/1138388220.db2.gz ZRYKCCIEJOPAMP-DOMZBBRYSA-N 1 3 301.425 2.084 20 0 DEADHO C[C@@H]1CNCC(F)(F)[C@H]1C[N@@H+](C1CCC1)C1CCNCC1 ZINC001236634982 1138388223 /nfs/dbraw/zinc/38/82/23/1138388223.db2.gz ZRYKCCIEJOPAMP-DOMZBBRYSA-N 1 3 301.425 2.084 20 0 DEADHO C[NH+](C)CCCN1C[C@H]2CC[C@@H](C1)N2CCCC(F)(F)F ZINC001278050017 1138501138 /nfs/dbraw/zinc/50/11/38/1138501138.db2.gz ZFBQDZSLBSYUNI-OKILXGFUSA-N 1 3 307.404 2.429 20 0 DEADHO CN(C)Cc1cc(F)cc(CN2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237410866 1138615580 /nfs/dbraw/zinc/61/55/80/1138615580.db2.gz DKHLVNLBCNMZFD-WMZOPIPTSA-N 1 3 305.441 2.461 20 0 DEADHO CN(C)Cc1cc(F)cc(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237410860 1138615971 /nfs/dbraw/zinc/61/59/71/1138615971.db2.gz DKHLVNLBCNMZFD-SJLPKXTDSA-N 1 3 305.441 2.461 20 0 DEADHO FCCCCN1CCC[C@@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC001278205793 1138835754 /nfs/dbraw/zinc/83/57/54/1138835754.db2.gz TUMXYSCOZNXYSS-QGZVFWFLSA-N 1 3 308.445 2.421 20 0 DEADHO FCCCCN1CCC[C@@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC001278205793 1138835755 /nfs/dbraw/zinc/83/57/55/1138835755.db2.gz TUMXYSCOZNXYSS-QGZVFWFLSA-N 1 3 308.445 2.421 20 0 DEADHO Cc1cnc(CN2CCN(CC3CC[NH+](C)CC3)CC2)c(C)c1 ZINC001238435305 1138846476 /nfs/dbraw/zinc/84/64/76/1138846476.db2.gz LUDMUACNRRJNJO-UHFFFAOYSA-N 1 3 316.493 2.158 20 0 DEADHO Cc1cccc(Cl)c1NC(=S)NCCC[NH2+]CCCN ZINC001239396230 1139033385 /nfs/dbraw/zinc/03/33/85/1139033385.db2.gz FFLRSBTUVKWYKF-UHFFFAOYSA-N 1 3 314.886 2.263 20 0 DEADHO Nc1ccnc2cc(-c3ccc(N4CC[NH2+]CC4)nc3)ccc12 ZINC001240490818 1139386100 /nfs/dbraw/zinc/38/61/00/1139386100.db2.gz AWCQCOSBUAZEJK-UHFFFAOYSA-N 1 3 305.385 2.289 20 0 DEADHO CCN(CCC[NH2+]C[C@@H](C)S(C)(=O)=O)C1CCCCC1 ZINC001335398684 1139414579 /nfs/dbraw/zinc/41/45/79/1139414579.db2.gz YBQOCJZYJAEXPX-CQSZACIVSA-N 1 3 304.500 2.054 20 0 DEADHO Fc1cc(-c2cnn(C3C[NH2+]C3)c2)ccc1CN1CCCC1 ZINC001241614478 1139835293 /nfs/dbraw/zinc/83/52/93/1139835293.db2.gz PAZTVOTZQZIESW-UHFFFAOYSA-N 1 3 300.381 2.429 20 0 DEADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C[NH2+]C/C=C\Cl ZINC001319245519 1140534222 /nfs/dbraw/zinc/53/42/22/1140534222.db2.gz NPXQENPKALHJDS-FMFIFOJESA-N 1 3 303.878 2.059 20 0 DEADHO C[C@@H](C[NH2+]CCCCC(F)(F)F)N(C)C(=O)[C@H]1CCCN1C ZINC001319436890 1140574054 /nfs/dbraw/zinc/57/40/54/1140574054.db2.gz NLRSNYHZIXLEAR-QWHCGFSZSA-N 1 3 323.403 2.250 20 0 DEADHO O=C(c1ccccc1)N1CCC[C@@H](N[C@H]2CCC[NH2+]C2)CC1 ZINC001246130026 1140864264 /nfs/dbraw/zinc/86/42/64/1140864264.db2.gz RFKQUXYXMTWONB-SJORKVTESA-N 1 3 301.434 2.023 20 0 DEADHO Clc1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1[C@H]3CNC[C@@H]1COC3)C2 ZINC001246148300 1140866805 /nfs/dbraw/zinc/86/68/05/1140866805.db2.gz LNBAHBBYLVQNJQ-WTTBNOFXSA-N 1 3 306.837 2.021 20 0 DEADHO OCC[C@@]1([NH2+]C2CCC(Cc3ccccc3)CC2)CCNC1 ZINC001246292585 1140881775 /nfs/dbraw/zinc/88/17/75/1140881775.db2.gz KQWPPZXUIWQTIB-ACBHZAAOSA-N 1 3 302.462 2.492 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CC2CCN(C(=O)c3ccccc3)CC2)CCN1 ZINC001246371002 1140889831 /nfs/dbraw/zinc/88/98/31/1140889831.db2.gz YZWCRYMVOPPUIH-MAUKXSAKSA-N 1 3 315.461 2.269 20 0 DEADHO c1cc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCOCC2)ccn1 ZINC001246441245 1140899661 /nfs/dbraw/zinc/89/96/61/1140899661.db2.gz LOJJDZIJDDVGLN-SJPCQFCGSA-N 1 3 301.434 2.002 20 0 DEADHO Brc1cccc2c1C[C@@H]([NH2+][C@@H]1CC13CNC3)CC2 ZINC001246447887 1140901582 /nfs/dbraw/zinc/90/15/82/1140901582.db2.gz XJSXQFNLLYHEKH-SMDDNHRTSA-N 1 3 307.235 2.258 20 0 DEADHO COC(=O)[C@@H]1CCC[C@H](N2CCC(F)(F)[C@H](C[NH3+])C2)CC1 ZINC001246553561 1140958518 /nfs/dbraw/zinc/95/85/18/1140958518.db2.gz BFYVOXVACKRXAO-UPJWGTAASA-N 1 3 304.381 2.024 20 0 DEADHO CCN(CC[NH2+]Cc1ccccc1)C(=O)[C@H](C(C)C)N(C)C ZINC001320902498 1140979462 /nfs/dbraw/zinc/97/94/62/1140979462.db2.gz USJFHGBRBSPYEB-KRWDZBQOSA-N 1 3 305.466 2.211 20 0 DEADHO CCOC(=O)[C@@]12C[N@@H+]([C@H]3CC[C@@H](CC)C3)C[C@@H]1CNCCC2 ZINC001246609888 1141003047 /nfs/dbraw/zinc/00/30/47/1141003047.db2.gz PLXLNMNIECJJRB-CVYDXHPNSA-N 1 3 308.466 2.430 20 0 DEADHO CCOC(=O)[C@@]12C[N@H+]([C@H]3CC[C@@H](CC)C3)C[C@@H]1CNCCC2 ZINC001246609888 1141003055 /nfs/dbraw/zinc/00/30/55/1141003055.db2.gz PLXLNMNIECJJRB-CVYDXHPNSA-N 1 3 308.466 2.430 20 0 DEADHO CCOC(=O)[C@@]12C[N@@H+]([C@@H]3CC[C@H](CC)C3)C[C@@H]1CNCCC2 ZINC001246609887 1141003387 /nfs/dbraw/zinc/00/33/87/1141003387.db2.gz PLXLNMNIECJJRB-CUSZFKRNSA-N 1 3 308.466 2.430 20 0 DEADHO CCOC(=O)[C@@]12C[N@H+]([C@@H]3CC[C@H](CC)C3)C[C@@H]1CNCCC2 ZINC001246609887 1141003396 /nfs/dbraw/zinc/00/33/96/1141003396.db2.gz PLXLNMNIECJJRB-CUSZFKRNSA-N 1 3 308.466 2.430 20 0 DEADHO CCCCCC[C@H](CC)[N@@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246622967 1141009321 /nfs/dbraw/zinc/00/93/21/1141009321.db2.gz AROJBACHKFFWMJ-YJBOKZPZSA-N 1 3 307.482 2.147 20 0 DEADHO CCCCCC[C@H](CC)[N@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246622967 1141009331 /nfs/dbraw/zinc/00/93/31/1141009331.db2.gz AROJBACHKFFWMJ-YJBOKZPZSA-N 1 3 307.482 2.147 20 0 DEADHO Cc1ccc(CN2CC[C@@H]3[C@@H]2CCN3[C@H]2CC[C@@H](C)[NH2+]C2)o1 ZINC001246705140 1141039727 /nfs/dbraw/zinc/03/97/27/1141039727.db2.gz JLHQALDQLFBQKI-HUHSQHJXSA-N 1 3 303.450 2.377 20 0 DEADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)CCN1 ZINC001246727237 1141045820 /nfs/dbraw/zinc/04/58/20/1141045820.db2.gz VTDHUJCPTQNEPR-JVNHZCFISA-N 1 3 308.466 2.175 20 0 DEADHO C[C@@H]1C[C@H]([N@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)CCN1 ZINC001246727237 1141045836 /nfs/dbraw/zinc/04/58/36/1141045836.db2.gz VTDHUJCPTQNEPR-JVNHZCFISA-N 1 3 308.466 2.175 20 0 DEADHO C[C@H]1CC[C@@H]([N@@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)CN1 ZINC001246758616 1141051876 /nfs/dbraw/zinc/05/18/76/1141051876.db2.gz ONJKLCRKDDZAFL-JCHJZTRSSA-N 1 3 322.493 2.282 20 0 DEADHO C[C@H]1CC[C@@H]([N@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)CN1 ZINC001246758616 1141051885 /nfs/dbraw/zinc/05/18/85/1141051885.db2.gz ONJKLCRKDDZAFL-JCHJZTRSSA-N 1 3 322.493 2.282 20 0 DEADHO CC(C)(C)[C@@H]1C[C@H](N2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)CC[NH2+]1 ZINC001246777748 1141056986 /nfs/dbraw/zinc/05/69/86/1141056986.db2.gz VVHQLPAQAZOQKC-ILOCAZANSA-N 1 3 322.493 2.279 20 0 DEADHO Cc1cc(F)ccc1[C@H]1C[C@@H](N2CC[C@@H](F)[C@@H](N)C2)CC[NH2+]1 ZINC001246822328 1141076151 /nfs/dbraw/zinc/07/61/51/1141076151.db2.gz YOPRFXFUFNCSFA-PQEBFOHHSA-N 1 3 309.404 2.298 20 0 DEADHO CC1(C)NC[C@@H](c2nc3ccccc3n2CC2CC[NH2+]CC2)O1 ZINC001247019975 1141250857 /nfs/dbraw/zinc/25/08/57/1141250857.db2.gz DBJHKFLRORSJLJ-INIZCTEOSA-N 1 3 314.433 2.433 20 0 DEADHO CC(C)=CC[NH2+]C[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001321653252 1141322598 /nfs/dbraw/zinc/32/25/98/1141322598.db2.gz YZBJHKFTYVNTAY-PBHICJAKSA-N 1 3 313.461 2.259 20 0 DEADHO CC(C)c1ccc(OC[C@H](O)C[N@H+](C)CCCN(C)C)cc1 ZINC001250746023 1142303444 /nfs/dbraw/zinc/30/34/44/1142303444.db2.gz MSRXZWADMWHDFN-QGZVFWFLSA-N 1 3 308.466 2.433 20 0 DEADHO CC(C)c1ccc(OC[C@H](O)C[N@@H+](C)CCCN(C)C)cc1 ZINC001250746023 1142303451 /nfs/dbraw/zinc/30/34/51/1142303451.db2.gz MSRXZWADMWHDFN-QGZVFWFLSA-N 1 3 308.466 2.433 20 0 DEADHO Cc1noc([C@@H]2C[C@@H]3CC[N@@H+]([C@H]4CCCN(C)CC4)C[C@H]3O2)n1 ZINC001254520272 1143184558 /nfs/dbraw/zinc/18/45/58/1143184558.db2.gz NOJNINQVQOWYLI-YHUYYLMFSA-N 1 3 320.437 2.014 20 0 DEADHO Cc1noc([C@@H]2C[C@@H]3CC[N@H+]([C@H]4CCCN(C)CC4)C[C@H]3O2)n1 ZINC001254520272 1143184591 /nfs/dbraw/zinc/18/45/91/1143184591.db2.gz NOJNINQVQOWYLI-YHUYYLMFSA-N 1 3 320.437 2.014 20 0 DEADHO CC(C)[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(N)=O ZINC001255126820 1143435173 /nfs/dbraw/zinc/43/51/73/1143435173.db2.gz PJWCUDZYCORDAD-FJIDUMEYSA-N 1 3 315.461 2.282 20 0 DEADHO COC1CCC([NH2+]C2CCN(CC3CCOCC3)CC2)CC1 ZINC001255451996 1143636939 /nfs/dbraw/zinc/63/69/39/1143636939.db2.gz ARULETQSZWPFPC-UHFFFAOYSA-N 1 3 310.482 2.425 20 0 DEADHO CCN(CC)CC[C@@H](C)[NH2+]C1CCN(C(=O)C2CCC2)CC1 ZINC001255949858 1143816441 /nfs/dbraw/zinc/81/64/41/1143816441.db2.gz BVLHSAWAYMVNFT-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1cc(N2CC[C@@H]([NH2+]C3CCN(C(C)(C)C)CC3)C2)ncn1 ZINC001256565329 1143854304 /nfs/dbraw/zinc/85/43/04/1143854304.db2.gz DQLJXLFKAFMUFO-MRXNPFEDSA-N 1 3 317.481 2.216 20 0 DEADHO CC(C)[N@H+](C)[C@@H]1CCN(C2CCN(Cc3ccncc3)CC2)C1 ZINC001256596511 1143856317 /nfs/dbraw/zinc/85/63/17/1143856317.db2.gz LYYCPPVUUZYZTN-LJQANCHMSA-N 1 3 316.493 2.461 20 0 DEADHO CC(C)[N@@H+](C)[C@@H]1CCN(C2CCN(Cc3ccncc3)CC2)C1 ZINC001256596511 1143856318 /nfs/dbraw/zinc/85/63/18/1143856318.db2.gz LYYCPPVUUZYZTN-LJQANCHMSA-N 1 3 316.493 2.461 20 0 DEADHO CC(C)N(C)[C@@H]1CC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC001256596511 1143856319 /nfs/dbraw/zinc/85/63/19/1143856319.db2.gz LYYCPPVUUZYZTN-LJQANCHMSA-N 1 3 316.493 2.461 20 0 DEADHO CC(C)N(C)[C@@H]1CC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC001256596511 1143856320 /nfs/dbraw/zinc/85/63/20/1143856320.db2.gz LYYCPPVUUZYZTN-LJQANCHMSA-N 1 3 316.493 2.461 20 0 DEADHO C[NH+](C)CCN1CCN([C@@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001256806660 1143867874 /nfs/dbraw/zinc/86/78/74/1143867874.db2.gz HZNRQBVTLKKZSM-RTBURBONSA-N 1 3 317.477 2.086 20 0 DEADHO CC(C)C(=O)N1CC[C@@H]2CN(C3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001257217594 1143894165 /nfs/dbraw/zinc/89/41/65/1143894165.db2.gz UPKFTBNCPPUPPT-SJLPKXTDSA-N 1 3 321.509 2.438 20 0 DEADHO CC[C@H](C)[NH2+][C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001257427493 1143912435 /nfs/dbraw/zinc/91/24/35/1143912435.db2.gz KNTOLWLFQHBPPE-DOTOQJQBSA-N 1 3 317.477 2.190 20 0 DEADHO CC(C)OC1CCC([NH2+]CCN2CCN(C(C)C)CC2)CC1 ZINC001257873390 1143957539 /nfs/dbraw/zinc/95/75/39/1143957539.db2.gz YEUVHHIYRIGQJN-UHFFFAOYSA-N 1 3 311.514 2.338 20 0 DEADHO COc1ccc(CC[C@@H](C)N2CCN(CC[NH+](C)C)CC2)cc1 ZINC001258396896 1144003454 /nfs/dbraw/zinc/00/34/54/1144003454.db2.gz DMHCJSQRLBAWBV-QGZVFWFLSA-N 1 3 319.493 2.196 20 0 DEADHO C[C@H](Cc1cccnc1)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001258619787 1144025880 /nfs/dbraw/zinc/02/58/80/1144025880.db2.gz XQFFHZWOESIPCL-KBAYOESNSA-N 1 3 303.450 2.246 20 0 DEADHO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]CC[C@@H](C)N(C)C)c1 ZINC001262565199 1144319354 /nfs/dbraw/zinc/31/93/54/1144319354.db2.gz FTCBXCOAONFALN-KGLIPLIRSA-N 1 3 314.857 2.318 20 0 DEADHO CCC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001265568446 1144712734 /nfs/dbraw/zinc/71/27/34/1144712734.db2.gz XCTDUBIVBFLNNL-YPDHSMTDSA-N 1 3 304.438 2.244 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]CCCC2CCC2)C1 ZINC001266041458 1144798955 /nfs/dbraw/zinc/79/89/55/1144798955.db2.gz VVVHTISOVFEXHF-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO CN(C)Cc1cccc(C(=O)N(C)C2CC([NH2+]CCCF)C2)c1 ZINC001279328959 1144820880 /nfs/dbraw/zinc/82/08/80/1144820880.db2.gz NWVBEWFLZIZKTC-UHFFFAOYSA-N 1 3 321.440 2.300 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]CCC(F)(F)F)C1)N(C)C ZINC001280094177 1144832070 /nfs/dbraw/zinc/83/20/70/1144832070.db2.gz IYCIDFZXGSWLAT-CHWSQXEVSA-N 1 3 323.403 2.107 20 0 DEADHO CC(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001280263282 1144834587 /nfs/dbraw/zinc/83/45/87/1144834587.db2.gz FVWPLFQBAIOBPU-IAGOWNOFSA-N 1 3 311.514 2.447 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H](CC[NH2+]CC2CCCC2)C1)N(C)C ZINC001280263845 1144834653 /nfs/dbraw/zinc/83/46/53/1144834653.db2.gz NQORLJNSKFDKHH-DLBZAZTESA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N1CCC([NH2+][C@@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC001364665490 1145431455 /nfs/dbraw/zinc/43/14/55/1145431455.db2.gz MOEVAKOBFGGYAI-MRXNPFEDSA-N 1 3 307.482 2.382 20 0 DEADHO C[C@H]1CC[N@H+](CCNC(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC001364760660 1145545492 /nfs/dbraw/zinc/54/54/92/1145545492.db2.gz SROIIELAXBQPNG-INIZCTEOSA-N 1 3 324.513 2.092 20 0 DEADHO C[C@H]1CC[N@@H+](CCNC(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC001364760660 1145545498 /nfs/dbraw/zinc/54/54/98/1145545498.db2.gz SROIIELAXBQPNG-INIZCTEOSA-N 1 3 324.513 2.092 20 0 DEADHO C[NH+]1CCC(N2CC[C@H](NCc3ccc(F)cc3F)C2)CC1 ZINC001365362049 1145859220 /nfs/dbraw/zinc/85/92/20/1145859220.db2.gz ZFJNFKPWYJHQEX-HNNXBMFYSA-N 1 3 309.404 2.223 20 0 DEADHO OCc1csc(CNCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC001365370205 1145861523 /nfs/dbraw/zinc/86/15/23/1145861523.db2.gz ZCPMZZPQLXBASP-UHFFFAOYSA-N 1 3 318.446 2.037 20 0 DEADHO C[C@@H]1CCC[C@](CNC(=O)NC[C@H]2CCCCN2C)([NH+](C)C)C1 ZINC001365550645 1145891288 /nfs/dbraw/zinc/89/12/88/1145891288.db2.gz IMFBLWRSMLAREH-NUJGCVRESA-N 1 3 324.513 2.280 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc([O-])c(F)c1 ZINC001365596190 1145899339 /nfs/dbraw/zinc/89/93/39/1145899339.db2.gz MVSOFYHWYYKFKF-MRXNPFEDSA-N 1 3 323.456 2.379 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc([O-])c(F)c1 ZINC001365596190 1145899342 /nfs/dbraw/zinc/89/93/42/1145899342.db2.gz MVSOFYHWYYKFKF-MRXNPFEDSA-N 1 3 323.456 2.379 20 0 DEADHO CC[C@@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCCN2CC)C1 ZINC001365846653 1146026587 /nfs/dbraw/zinc/02/65/87/1146026587.db2.gz FBJIIBHHXCJATC-KLHDSHLOSA-N 1 3 313.461 2.093 20 0 DEADHO CN(CC(=O)N1CC[C@H](C[NH2+]CCCC2CCC2)C1)C1CCC1 ZINC001491811524 1146931961 /nfs/dbraw/zinc/93/19/61/1146931961.db2.gz FIFMVOVKBIZCGV-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC/C=C/Cl)C1 ZINC001366098029 1147053234 /nfs/dbraw/zinc/05/32/34/1147053234.db2.gz HTZWITVIQPJPOT-OYROCLPXSA-N 1 3 313.873 2.050 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC/C=C/Cl)C1 ZINC001366098029 1147053240 /nfs/dbraw/zinc/05/32/40/1147053240.db2.gz HTZWITVIQPJPOT-OYROCLPXSA-N 1 3 313.873 2.050 20 0 DEADHO CC[C@@H](F)CN[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001366097336 1147053531 /nfs/dbraw/zinc/05/35/31/1147053531.db2.gz XBAHUMDYFWSRPH-CABCVRRESA-N 1 3 313.461 2.190 20 0 DEADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)C2)cs1 ZINC001366102540 1147056415 /nfs/dbraw/zinc/05/64/15/1147056415.db2.gz ACBXFIOQYBEMJS-HNNXBMFYSA-N 1 3 309.479 2.087 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001366131300 1147070472 /nfs/dbraw/zinc/07/04/72/1147070472.db2.gz NETWGKFJYRMDAL-KBRIMQKVSA-N 1 3 321.440 2.465 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1)N(C)C ZINC001366137481 1147073998 /nfs/dbraw/zinc/07/39/98/1147073998.db2.gz WOILTGWDNSFLLK-QSPRXWTASA-N 1 3 303.450 2.325 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001366161495 1147084690 /nfs/dbraw/zinc/08/46/90/1147084690.db2.gz IFCYDAVUAIRXIP-XPGCVZSKSA-N 1 3 313.873 2.239 20 0 DEADHO Cc1ccc(C)c(C[NH2+][C@@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001366283802 1147191834 /nfs/dbraw/zinc/19/18/34/1147191834.db2.gz GMUPFRZDISTZDM-INIZCTEOSA-N 1 3 317.477 2.382 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CNC(=O)CN2CC[C@H](C)C2)cc1C ZINC001366331923 1147218977 /nfs/dbraw/zinc/21/89/77/1147218977.db2.gz IOJWFMZFJACNIN-WMLDXEAASA-N 1 3 317.477 2.240 20 0 DEADHO C[C@H](CCNC(=O)CN(C)CC(C)(C)C)[NH2+]C/C=C\Cl ZINC001366482224 1147303186 /nfs/dbraw/zinc/30/31/86/1147303186.db2.gz FERUWWZSNNPIOH-FWPCIQOSSA-N 1 3 303.878 2.201 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)C[C@@H]2CC[N@H+](C)C2)c(C)c1 ZINC001366587148 1147376272 /nfs/dbraw/zinc/37/62/72/1147376272.db2.gz VHBVBZDKCJOLSE-KRWDZBQOSA-N 1 3 317.477 2.193 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)c(C)c1 ZINC001366587148 1147376276 /nfs/dbraw/zinc/37/62/76/1147376276.db2.gz VHBVBZDKCJOLSE-KRWDZBQOSA-N 1 3 317.477 2.193 20 0 DEADHO CCCc1ccc(CN(C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001366593326 1147379390 /nfs/dbraw/zinc/37/93/90/1147379390.db2.gz RAHVZDHGKIJYFE-GOSISDBHSA-N 1 3 317.477 2.139 20 0 DEADHO CCCc1ccc(CN(C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001366593326 1147379393 /nfs/dbraw/zinc/37/93/93/1147379393.db2.gz RAHVZDHGKIJYFE-GOSISDBHSA-N 1 3 317.477 2.139 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001366849283 1147593866 /nfs/dbraw/zinc/59/38/66/1147593866.db2.gz GDTLOTOFNRJVCU-IAGOWNOFSA-N 1 3 307.482 2.099 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001366849283 1147593869 /nfs/dbraw/zinc/59/38/69/1147593869.db2.gz GDTLOTOFNRJVCU-IAGOWNOFSA-N 1 3 307.482 2.099 20 0 DEADHO CCC(CC)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001366866310 1147599170 /nfs/dbraw/zinc/59/91/70/1147599170.db2.gz ONUIXERXYXSFQA-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CCC(CC)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001366866310 1147599174 /nfs/dbraw/zinc/59/91/74/1147599174.db2.gz ONUIXERXYXSFQA-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO CCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001366886612 1147607433 /nfs/dbraw/zinc/60/74/33/1147607433.db2.gz XLLPXMYPYVYMOI-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001366886612 1147607436 /nfs/dbraw/zinc/60/74/36/1147607436.db2.gz XLLPXMYPYVYMOI-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001367223494 1147666179 /nfs/dbraw/zinc/66/61/79/1147666179.db2.gz YATDVCVLYNQLPZ-BRWVUGGUSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H](C)CNC/C(Cl)=C/Cl)[NH+](C)C ZINC001367295774 1147674969 /nfs/dbraw/zinc/67/49/69/1147674969.db2.gz YCIJNWFRIWDTSO-AZPVHRIVSA-N 1 3 324.296 2.234 20 0 DEADHO CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001367384097 1147687303 /nfs/dbraw/zinc/68/73/03/1147687303.db2.gz MIIRTOONHJOZQM-TZMCWYRMSA-N 1 3 319.440 2.054 20 0 DEADHO C[C@H](C[NH2+][C@H]1CCc2ccccc21)NC(=O)C1(N(C)C)CCC1 ZINC001367676282 1147725664 /nfs/dbraw/zinc/72/56/64/1147725664.db2.gz OWXSFJOWYUYBMT-PBHICJAKSA-N 1 3 315.461 2.253 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001367766229 1147740009 /nfs/dbraw/zinc/74/00/09/1147740009.db2.gz BNNBVSCEFRFDKW-GXTWGEPZSA-N 1 3 319.440 2.246 20 0 DEADHO Cc1ccccc1[C@@H](C)N1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001367959814 1147804273 /nfs/dbraw/zinc/80/42/73/1147804273.db2.gz BDQPWDSCSHQTBZ-CVEARBPZSA-N 1 3 303.450 2.198 20 0 DEADHO CC[C@@H](F)C[NH2+]CC[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001326289617 1148070179 /nfs/dbraw/zinc/07/01/79/1148070179.db2.gz SAOOSBIJBZMWIX-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2ccsc2)C1)N(C)C ZINC001326410561 1148095214 /nfs/dbraw/zinc/09/52/14/1148095214.db2.gz AFRCJWQIEQZPPX-GDBMZVCRSA-N 1 3 323.506 2.417 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCC2CC2)C1 ZINC001326437265 1148099870 /nfs/dbraw/zinc/09/98/70/1148099870.db2.gz JXIVVEQOCYEQCJ-QZTJIDSGSA-N 1 3 321.509 2.489 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCC2CC2)C1 ZINC001326437267 1148100234 /nfs/dbraw/zinc/10/02/34/1148100234.db2.gz JXIVVEQOCYEQCJ-ROUUACIJSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC2CCCC2)C[C@@H]1C ZINC001368111875 1148238396 /nfs/dbraw/zinc/23/83/96/1148238396.db2.gz XRNTWDCMHXZGNX-DOTOQJQBSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@]1(NC(=O)C[NH+]2CCCC2)CCN(Cc2ccc(F)cc2)C1 ZINC001368169141 1148301386 /nfs/dbraw/zinc/30/13/86/1148301386.db2.gz KLSOGOXMFGEEIY-SFHVURJKSA-N 1 3 319.424 2.002 20 0 DEADHO CC[C@H](C)C[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)C2CCC2)C1 ZINC001368189861 1148316073 /nfs/dbraw/zinc/31/60/73/1148316073.db2.gz MTVWLSCHCDAXPB-MAUKXSAKSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CC2CCC2)C1)N(C)C ZINC001368188853 1148316136 /nfs/dbraw/zinc/31/61/36/1148316136.db2.gz HQKIHUDTWWXADT-FUHWJXTLSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@@H](F)CN1CCC[C@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001327161141 1148340063 /nfs/dbraw/zinc/34/00/63/1148340063.db2.gz BQQPJGXOGULWEK-CVEARBPZSA-N 1 3 315.477 2.437 20 0 DEADHO CN(C)CCN(Cc1ccccc1F)C(=O)C1CC[NH+](C)CC1 ZINC000266166192 282096679 /nfs/dbraw/zinc/09/66/79/282096679.db2.gz QZSWLOREQARSND-UHFFFAOYSA-N 1 3 321.440 2.058 20 0 DEADHO C[NH+](C)CC1CCC(NC(=O)[C@@H](CN)c2ccc(F)cc2)CC1 ZINC000423747066 230543074 /nfs/dbraw/zinc/54/30/74/230543074.db2.gz OUMIYTDCMXYQRR-IMRCBTMISA-N 1 3 321.440 2.105 20 0 DEADHO C[C@@H](Cn1cccn1)NCc1cccc(OCC[NH+](C)C)c1 ZINC000138116289 282098668 /nfs/dbraw/zinc/09/86/68/282098668.db2.gz FBFKPCLHHZMSDT-HNNXBMFYSA-N 1 3 302.422 2.002 20 0 DEADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2cccs2)cc1 ZINC000076894022 185050421 /nfs/dbraw/zinc/05/04/21/185050421.db2.gz QEQIHBLHWSTNHA-UHFFFAOYSA-N 1 3 317.458 2.329 20 0 DEADHO CCOc1ccc(CNCCN2CCC([NH+](C)C)CC2)cc1F ZINC000278505309 214196183 /nfs/dbraw/zinc/19/61/83/214196183.db2.gz ODIPAZHLPSUQEW-UHFFFAOYSA-N 1 3 323.456 2.340 20 0 DEADHO O[C@H]1CCN(Cc2ccccc2C[NH2+]C[C@H]2CCSC2)C1 ZINC000278686382 214324908 /nfs/dbraw/zinc/32/49/08/214324908.db2.gz IKODXHAKHQNUQQ-PBHICJAKSA-N 1 3 306.475 2.096 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418396485 529615533 /nfs/dbraw/zinc/61/55/33/529615533.db2.gz BDLRIXUOYOQHFM-UAGQMJEPSA-N 1 3 318.465 2.066 20 0 DEADHO COc1cc(NCCN[C@H]2CC[N@H+](C)[C@H](C)C2)cc(OC)c1 ZINC000181604368 199326007 /nfs/dbraw/zinc/32/60/07/199326007.db2.gz MUVMAXOQOKYCLA-KGLIPLIRSA-N 1 3 307.438 2.188 20 0 DEADHO COc1cc(NCCN[C@H]2CC[N@@H+](C)[C@H](C)C2)cc(OC)c1 ZINC000181604368 199326008 /nfs/dbraw/zinc/32/60/08/199326008.db2.gz MUVMAXOQOKYCLA-KGLIPLIRSA-N 1 3 307.438 2.188 20 0 DEADHO CN(C)c1ccccc1CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415102253 282300751 /nfs/dbraw/zinc/30/07/51/282300751.db2.gz DGWPZYICDUTIRS-IEBWSBKVSA-N 1 3 317.477 2.471 20 0 DEADHO CN(C[C@@H]1CCCN1C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000422039260 529949559 /nfs/dbraw/zinc/94/95/59/529949559.db2.gz RCGFMMIBYDQEHL-WBVHZDCISA-N 1 3 307.482 2.194 20 0 DEADHO CN(C[C@@H]1CCCN1C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000422039260 529949562 /nfs/dbraw/zinc/94/95/62/529949562.db2.gz RCGFMMIBYDQEHL-WBVHZDCISA-N 1 3 307.482 2.194 20 0 DEADHO C[NH2+][C@@H]1CCCN(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)C1 ZINC000418366174 530043804 /nfs/dbraw/zinc/04/38/04/530043804.db2.gz YGRYETKNGQVSMY-IAGOWNOFSA-N 1 3 318.465 2.203 20 0 DEADHO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000195113131 282368199 /nfs/dbraw/zinc/36/81/99/282368199.db2.gz UAVGXQCOAGWQMJ-KXBFYZLASA-N 1 3 318.461 2.158 20 0 DEADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)c2cccc(-n3cnnn3)c2)C1 ZINC000151095171 539525671 /nfs/dbraw/zinc/52/56/71/539525671.db2.gz BPKRLZLELQTSLI-GJZGRUSLSA-N 1 3 314.437 2.045 20 0 DEADHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2cccc(-n3cnnn3)c2)C1 ZINC000151095171 539525677 /nfs/dbraw/zinc/52/56/77/539525677.db2.gz BPKRLZLELQTSLI-GJZGRUSLSA-N 1 3 314.437 2.045 20 0 DEADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)c2cccc(-n3cnnn3)c2)C1 ZINC000151095171 539525681 /nfs/dbraw/zinc/52/56/81/539525681.db2.gz BPKRLZLELQTSLI-GJZGRUSLSA-N 1 3 314.437 2.045 20 0 DEADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000155667824 539560359 /nfs/dbraw/zinc/56/03/59/539560359.db2.gz GNYQAVWQENIMSF-RDTXWAMCSA-N 1 3 305.441 2.429 20 0 DEADHO CN(C)C1(CNC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000616341839 362831730 /nfs/dbraw/zinc/83/17/30/362831730.db2.gz SQYBWAWHPUOBTI-QGZVFWFLSA-N 1 3 315.461 2.076 20 0 DEADHO [NH3+]C1(CC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CCC1 ZINC000166207621 539608712 /nfs/dbraw/zinc/60/87/12/539608712.db2.gz IXJWCZWLJSJEID-AWEZNQCLSA-N 1 3 321.490 2.348 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000237922022 539750864 /nfs/dbraw/zinc/75/08/64/539750864.db2.gz LJBXWXXNVQMSKX-BBWFWOEESA-N 1 3 301.434 2.067 20 0 DEADHO CC(C)C(=O)NCCN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000155767303 186110632 /nfs/dbraw/zinc/11/06/32/186110632.db2.gz ZBSMUKLPXRIGID-OAHLLOKOSA-N 1 3 321.465 2.050 20 0 DEADHO CC(C)C(=O)NCCN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000155785297 186112576 /nfs/dbraw/zinc/11/25/76/186112576.db2.gz QLYFKMJMDYZNGF-HNNXBMFYSA-N 1 3 321.465 2.050 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)C1CC[NH2+]CC1)c1ccccc1 ZINC000237510887 186299491 /nfs/dbraw/zinc/29/94/91/186299491.db2.gz BZDBZTBTIQRPKD-AWEZNQCLSA-N 1 3 303.450 2.232 20 0 DEADHO CCc1noc(C)c1CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333876244 282984040 /nfs/dbraw/zinc/98/40/40/282984040.db2.gz SXYCUTGISVHQOH-WBVHZDCISA-N 1 3 307.438 2.264 20 0 DEADHO CN(C)[C@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2F)CC1 ZINC000277193641 213357377 /nfs/dbraw/zinc/35/73/77/213357377.db2.gz MABVAIJLJFPEBP-IRXDYDNUSA-N 1 3 324.440 2.119 20 0 DEADHO CN(C)[C@H]1CCC[N@@H+](C[C@H](O)COCc2ccccc2F)CC1 ZINC000277193641 213357378 /nfs/dbraw/zinc/35/73/78/213357378.db2.gz MABVAIJLJFPEBP-IRXDYDNUSA-N 1 3 324.440 2.119 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H](CN)c2ccccc2)CC1 ZINC000320261354 539895720 /nfs/dbraw/zinc/89/57/20/539895720.db2.gz JTFPREPYQUJKMC-SFHVURJKSA-N 1 3 317.477 2.308 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H](CN)c2ccccc2)CC1 ZINC000320261354 539895721 /nfs/dbraw/zinc/89/57/21/539895721.db2.gz JTFPREPYQUJKMC-SFHVURJKSA-N 1 3 317.477 2.308 20 0 DEADHO CCCN(CCN(C)C)C(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000320367646 539896147 /nfs/dbraw/zinc/89/61/47/539896147.db2.gz IHYNKUMRVXVKTP-UHFFFAOYSA-N 1 3 317.477 2.108 20 0 DEADHO O[C@H](CN1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000173950652 198272234 /nfs/dbraw/zinc/27/22/34/198272234.db2.gz PNEHCYMKMWRMRP-LJQANCHMSA-N 1 3 318.461 2.297 20 0 DEADHO C[C@H](C[NH2+]Cc1ccc(OCCN(C)C)cc1)Cn1ccnc1 ZINC000062254847 354633563 /nfs/dbraw/zinc/63/35/63/354633563.db2.gz AUJWZSYEKNDQGQ-MRXNPFEDSA-N 1 3 316.449 2.249 20 0 DEADHO C[C@H](CC[NH+](C)C)NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000068592940 354822529 /nfs/dbraw/zinc/82/25/29/354822529.db2.gz IBZJFKJWKDUCGS-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO C[NH+](C)CC1CCN(Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000350147641 540036707 /nfs/dbraw/zinc/03/67/07/540036707.db2.gz PRBAKNXKFPKSLA-UHFFFAOYSA-N 1 3 304.360 2.219 20 0 DEADHO CN1CCC(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000073366181 354956655 /nfs/dbraw/zinc/95/66/55/354956655.db2.gz NTZCYAASQULKBK-QGZVFWFLSA-N 1 3 321.509 2.443 20 0 DEADHO C[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)N1CCCCCC1 ZINC000074317290 355021456 /nfs/dbraw/zinc/02/14/56/355021456.db2.gz HZPIVTFXRHNLER-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)N1CCCCCC1 ZINC000074317290 355021460 /nfs/dbraw/zinc/02/14/60/355021460.db2.gz HZPIVTFXRHNLER-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000073440817 191316484 /nfs/dbraw/zinc/31/64/84/191316484.db2.gz ZQCMCRTZOAJCQS-IRXDYDNUSA-N 1 3 318.465 2.073 20 0 DEADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000073440817 191316487 /nfs/dbraw/zinc/31/64/87/191316487.db2.gz ZQCMCRTZOAJCQS-IRXDYDNUSA-N 1 3 318.465 2.073 20 0 DEADHO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000362268909 540107985 /nfs/dbraw/zinc/10/79/85/540107985.db2.gz LTABPPZXOURUIR-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCC1CCCCC1 ZINC000077776027 355227471 /nfs/dbraw/zinc/22/74/71/355227471.db2.gz KGOXXSTVPFVEKQ-UHFFFAOYSA-N 1 3 312.502 2.092 20 0 DEADHO C[C@H]1CCN(C(=O)CC[NH2+]C2CC2)CCN1Cc1ccccc1 ZINC000382692285 540123704 /nfs/dbraw/zinc/12/37/04/540123704.db2.gz IGBPGYQXIBPUKU-INIZCTEOSA-N 1 3 315.461 2.252 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000414923632 540157375 /nfs/dbraw/zinc/15/73/75/540157375.db2.gz IUEOHWFYFRXVRY-IHRRRGAJSA-N 1 3 305.422 2.272 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[C@H](N)C2)c1 ZINC000414923632 540157377 /nfs/dbraw/zinc/15/73/77/540157377.db2.gz IUEOHWFYFRXVRY-IHRRRGAJSA-N 1 3 305.422 2.272 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414931089 540157483 /nfs/dbraw/zinc/15/74/83/540157483.db2.gz UCCFPMMTDJJIJX-GZBFAFLISA-N 1 3 305.422 2.272 20 0 DEADHO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@@H](N)C2)cc1 ZINC000414931089 540157485 /nfs/dbraw/zinc/15/74/85/540157485.db2.gz UCCFPMMTDJJIJX-GZBFAFLISA-N 1 3 305.422 2.272 20 0 DEADHO CN1CCC[N@H+](CCCNCc2cc(F)c(F)c(F)c2)CC1 ZINC000105476181 355720609 /nfs/dbraw/zinc/72/06/09/355720609.db2.gz BOOZXFIKKFDCSD-UHFFFAOYSA-N 1 3 315.383 2.221 20 0 DEADHO CN1CCC[N@@H+](CCCNCc2cc(F)c(F)c(F)c2)CC1 ZINC000105476181 355720612 /nfs/dbraw/zinc/72/06/12/355720612.db2.gz BOOZXFIKKFDCSD-UHFFFAOYSA-N 1 3 315.383 2.221 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000181744372 356093950 /nfs/dbraw/zinc/09/39/50/356093950.db2.gz NEILVTOELHUEJF-IAGOWNOFSA-N 1 3 324.513 2.425 20 0 DEADHO C[C@H](NC[C@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CCC[NH2+]1 ZINC000400363737 283156304 /nfs/dbraw/zinc/15/63/04/283156304.db2.gz QVWLTERKKAYOMO-YTQUADARSA-N 1 3 317.477 2.008 20 0 DEADHO CN(C)CCN(Cc1ccccc1)C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000302922301 356392485 /nfs/dbraw/zinc/39/24/85/356392485.db2.gz UYNMCPUJZIHFQG-QGZVFWFLSA-N 1 3 317.477 2.357 20 0 DEADHO C[C@@H](CC[NH+](C)C)N[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401921759 283162057 /nfs/dbraw/zinc/16/20/57/283162057.db2.gz JHSRXOAJFYHZGQ-DOTOQJQBSA-N 1 3 319.449 2.327 20 0 DEADHO CC[NH+]1CCC(N(C)C(=O)[C@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000236854895 202039650 /nfs/dbraw/zinc/03/96/50/202039650.db2.gz YIHICXKJZSKHKI-RHSMWYFYSA-N 1 3 303.450 2.265 20 0 DEADHO CCC[NH+](CCC)CCCC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000374890640 535321649 /nfs/dbraw/zinc/32/16/49/535321649.db2.gz GIGLQUXSDAOPKV-SJORKVTESA-N 1 3 309.498 2.441 20 0 DEADHO CC[C@@H](C)[C@@H](N)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000236961713 202094950 /nfs/dbraw/zinc/09/49/50/202094950.db2.gz ZAUWLXFSPYABSC-RDTXWAMCSA-N 1 3 317.477 2.449 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)N(C)C)cc1 ZINC000236980939 202106021 /nfs/dbraw/zinc/10/60/21/202106021.db2.gz UIRYAGQBAMDIDG-BBWFWOEESA-N 1 3 303.450 2.095 20 0 DEADHO CCC[NH2+][C@H](C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000423770382 283199745 /nfs/dbraw/zinc/19/97/45/283199745.db2.gz DGZJONYPRJRZLE-UXLLHSPISA-N 1 3 303.450 2.011 20 0 DEADHO C[C@H](C(=O)N1CCC[C@@H]([NH+](C)C)CC1)[C@H](N)c1ccccc1 ZINC000423785681 283202210 /nfs/dbraw/zinc/20/22/10/283202210.db2.gz UISWZPVEEJMNFK-UAGQMJEPSA-N 1 3 303.450 2.265 20 0 DEADHO C[C@@H]1CCN(C(=O)CCCC[NH3+])CCN1Cc1ccccc1 ZINC000382742913 356677527 /nfs/dbraw/zinc/67/75/27/356677527.db2.gz PCBRXBZJKATSBZ-MRXNPFEDSA-N 1 3 303.450 2.238 20 0 DEADHO C[NH2+]CCCC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000382761231 356678167 /nfs/dbraw/zinc/67/81/67/356678167.db2.gz JVAYYANMECLGRB-INIZCTEOSA-N 1 3 303.450 2.109 20 0 DEADHO C[NH+](C)Cc1cccc(CNC(=O)[C@H](CN)c2ccccc2)c1 ZINC000237057690 202138489 /nfs/dbraw/zinc/13/84/89/202138489.db2.gz BUPLKZNEQUISLH-GOSISDBHSA-N 1 3 311.429 2.107 20 0 DEADHO CCC[NH+](CCC)CCCC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000374890634 283209530 /nfs/dbraw/zinc/20/95/30/283209530.db2.gz GIGLQUXSDAOPKV-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CN(C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN(C)C1 ZINC000578451763 356819791 /nfs/dbraw/zinc/81/97/91/356819791.db2.gz OCWGMMWVPVSMHW-ROUUACIJSA-N 1 3 315.461 2.061 20 0 DEADHO CN(C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN(C)C1 ZINC000578451763 356819793 /nfs/dbraw/zinc/81/97/93/356819793.db2.gz OCWGMMWVPVSMHW-ROUUACIJSA-N 1 3 315.461 2.061 20 0 DEADHO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C2CCN(C3CC3)CC2)CC1 ZINC000578891000 356888587 /nfs/dbraw/zinc/88/85/87/356888587.db2.gz ZHMMUVKGZUTWMA-KRWDZBQOSA-N 1 3 319.493 2.097 20 0 DEADHO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2cccc3c2CCNC3)CC1 ZINC000581119963 357134255 /nfs/dbraw/zinc/13/42/55/357134255.db2.gz TWAFLLBRPVHJPZ-OAHLLOKOSA-N 1 3 316.449 2.280 20 0 DEADHO C[C@@H]1CN(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CCN(C2CCC2)C1 ZINC000581993151 357280981 /nfs/dbraw/zinc/28/09/81/357280981.db2.gz RKNOXCXWVJVOKY-JYJNAYRXSA-N 1 3 322.497 2.020 20 0 DEADHO CC[C@@H](C(=O)Nc1ccc(OC)cc1)N1CCC([C@H](C)[NH3+])CC1 ZINC000430950172 283257741 /nfs/dbraw/zinc/25/77/41/283257741.db2.gz GKYVIWYEPFHWJT-GUYCJALGSA-N 1 3 319.449 2.472 20 0 DEADHO c1ccc(CN(CC2CCOCC2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000435392158 283261574 /nfs/dbraw/zinc/26/15/74/283261574.db2.gz GGAQFVWKDGXNRZ-GOSISDBHSA-N 1 3 303.450 2.452 20 0 DEADHO CS(=O)(=O)c1cccc(CNCCCCC[NH+]2CCCC2)c1 ZINC000449342938 283273376 /nfs/dbraw/zinc/27/33/76/283273376.db2.gz GNHLNXPVZHJCJA-UHFFFAOYSA-N 1 3 324.490 2.446 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)CC1 ZINC000452162749 283285774 /nfs/dbraw/zinc/28/57/74/283285774.db2.gz ITAAHKQMKBAFSB-OAHLLOKOSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCN2C(C)(C)C)C1 ZINC000661396388 540317981 /nfs/dbraw/zinc/31/79/81/540317981.db2.gz AHOJPMGXTJJFFH-CVEARBPZSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCN2C(C)(C)C)C1 ZINC000661396388 540317983 /nfs/dbraw/zinc/31/79/83/540317983.db2.gz AHOJPMGXTJJFFH-CVEARBPZSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000661404856 540319464 /nfs/dbraw/zinc/31/94/64/540319464.db2.gz SBPPWGTWEAKTEF-OWCLPIDISA-N 1 3 322.497 2.127 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N[C@@H]2CCN(CCC)C2)CC1 ZINC000661953404 540324394 /nfs/dbraw/zinc/32/43/94/540324394.db2.gz OJDWTPDDZXFRPN-MRXNPFEDSA-N 1 3 310.486 2.034 20 0 DEADHO CCOC(=O)c1[nH]c(C)c(CNCC2=CC[N@H+](C)CC2)c1C ZINC000598975675 359372802 /nfs/dbraw/zinc/37/28/02/359372802.db2.gz YIZGVCZMBDDKOR-UHFFFAOYSA-N 1 3 305.422 2.160 20 0 DEADHO CCOC(=O)c1[nH]c(C)c(CNCC2=CC[N@@H+](C)CC2)c1C ZINC000598975675 359372806 /nfs/dbraw/zinc/37/28/06/359372806.db2.gz YIZGVCZMBDDKOR-UHFFFAOYSA-N 1 3 305.422 2.160 20 0 DEADHO NCc1cccc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000667736596 540517531 /nfs/dbraw/zinc/51/75/31/540517531.db2.gz KQEBOLODQLQDNH-MRXNPFEDSA-N 1 3 316.449 2.485 20 0 DEADHO CNCc1ccccc1NC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000667764461 540521954 /nfs/dbraw/zinc/52/19/54/540521954.db2.gz HLQDBXIWIHWRAO-OAHLLOKOSA-N 1 3 304.438 2.400 20 0 DEADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)[C@@H](N)Cc2ccccc2)C1 ZINC000237554069 202281974 /nfs/dbraw/zinc/28/19/74/202281974.db2.gz HSEIHUAPUGOIJR-BQFCYCMXSA-N 1 3 317.477 2.041 20 0 DEADHO C[C@@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)N(C)Cc1ccccc1 ZINC000237584104 202292654 /nfs/dbraw/zinc/29/26/54/202292654.db2.gz PHJKVGQNTHKEIY-MAUKXSAKSA-N 1 3 303.450 2.155 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000449324351 240361689 /nfs/dbraw/zinc/36/16/89/240361689.db2.gz DSEGLTNVKJCDMC-RHSMWYFYSA-N 1 3 301.434 2.467 20 0 DEADHO C[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1cccc(OCCN(C)C)c1 ZINC000189294447 200377292 /nfs/dbraw/zinc/37/72/92/200377292.db2.gz VOIHRIACVLUIPJ-UXLLHSPISA-N 1 3 306.450 2.439 20 0 DEADHO C[N@H+](CCCN1CCCC1)CCC(=O)Nc1cc(N)ccc1F ZINC000281193073 216143553 /nfs/dbraw/zinc/14/35/53/216143553.db2.gz BVLXITXEMQCDOP-UHFFFAOYSA-N 1 3 322.428 2.154 20 0 DEADHO C[N@@H+](CCCN1CCCC1)CCC(=O)Nc1cc(N)ccc1F ZINC000281193073 216143555 /nfs/dbraw/zinc/14/35/55/216143555.db2.gz BVLXITXEMQCDOP-UHFFFAOYSA-N 1 3 322.428 2.154 20 0 DEADHO C[C@H](N)C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000442662166 238059135 /nfs/dbraw/zinc/05/91/35/238059135.db2.gz PLESUGFJEPSMKI-ZDUSSCGKSA-N 1 3 304.413 2.438 20 0 DEADHO C[C@H](N)C[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000442662166 238059138 /nfs/dbraw/zinc/05/91/38/238059138.db2.gz PLESUGFJEPSMKI-ZDUSSCGKSA-N 1 3 304.413 2.438 20 0 DEADHO C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669483536 540841702 /nfs/dbraw/zinc/84/17/02/540841702.db2.gz AQLVAQBWFPTRGH-ZOBUZTSGSA-N 1 3 318.465 2.249 20 0 DEADHO C[C@H](NC(=O)NC[C@@H]1CCCC[NH2+]1)[C@H](c1ccccc1)N(C)C ZINC000669583557 540869252 /nfs/dbraw/zinc/86/92/52/540869252.db2.gz XIDULYNRWXSNGO-BHYGNILZSA-N 1 3 318.465 2.119 20 0 DEADHO COCC[N@H+](CCCN1CCN(C(C)C)CC1)C1CCCC1 ZINC000669688697 540880459 /nfs/dbraw/zinc/88/04/59/540880459.db2.gz PHLRPSRMEGXPFQ-UHFFFAOYSA-N 1 3 311.514 2.294 20 0 DEADHO COCC[N@@H+](CCCN1CCN(C(C)C)CC1)C1CCCC1 ZINC000669688697 540880462 /nfs/dbraw/zinc/88/04/62/540880462.db2.gz PHLRPSRMEGXPFQ-UHFFFAOYSA-N 1 3 311.514 2.294 20 0 DEADHO C[C@@H]([NH3+])CCC(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000193303600 201023811 /nfs/dbraw/zinc/02/38/11/201023811.db2.gz PVZDFSKSCUTPFD-LLVKDONJSA-N 1 3 313.829 2.346 20 0 DEADHO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cccc(CN(C)C)c1 ZINC000673672642 541130211 /nfs/dbraw/zinc/13/02/11/541130211.db2.gz JGWNXGDYPHGSIH-QGZVFWFLSA-N 1 3 303.450 2.352 20 0 DEADHO CC(=O)N1CC[C@@H](N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000621742505 364533938 /nfs/dbraw/zinc/53/39/38/364533938.db2.gz YMNXWQGDRKCMKB-ATZDWAIDSA-N 1 3 315.461 2.107 20 0 DEADHO CC(=O)N1CC[C@@H](N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000621742505 364533940 /nfs/dbraw/zinc/53/39/40/364533940.db2.gz YMNXWQGDRKCMKB-ATZDWAIDSA-N 1 3 315.461 2.107 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000622096095 364661227 /nfs/dbraw/zinc/66/12/27/364661227.db2.gz VUEOIDCOGVLQAS-CVEARBPZSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)(C)N1CCCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000622096095 364661230 /nfs/dbraw/zinc/66/12/30/364661230.db2.gz VUEOIDCOGVLQAS-CVEARBPZSA-N 1 3 322.497 2.129 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1 ZINC000623070660 364874812 /nfs/dbraw/zinc/87/48/12/364874812.db2.gz NQIPIBAMAKLEKG-GFCCVEGCSA-N 1 3 318.343 2.149 20 0 DEADHO CNCc1cccc(NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)c1 ZINC000449083439 240031104 /nfs/dbraw/zinc/03/11/04/240031104.db2.gz UDKWSONYHCWVAW-LJQANCHMSA-N 1 3 309.413 2.276 20 0 DEADHO C[C@H](NCc1nccn1CC(F)(F)F)C1CC[NH+](C)CC1 ZINC000675811106 541386393 /nfs/dbraw/zinc/38/63/93/541386393.db2.gz ZBELDGAGYOQYFN-NSHDSACASA-N 1 3 304.360 2.265 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)N2CCCC2)cc1 ZINC000449338315 240377737 /nfs/dbraw/zinc/37/77/37/240377737.db2.gz VEJGBTSQDXYCCS-NXHRZFHOSA-N 1 3 315.461 2.104 20 0 DEADHO CN1CCCC[C@H](C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)C1 ZINC000623656256 365118889 /nfs/dbraw/zinc/11/88/89/365118889.db2.gz QFSYQZGOWPPZFV-OAHLLOKOSA-N 1 3 319.449 2.206 20 0 DEADHO Fc1ccc([C@H]2CCCN(CCN3CC[NH2+]CC3)C2)cc1F ZINC000629550569 367245927 /nfs/dbraw/zinc/24/59/27/367245927.db2.gz OQRKPTXJAHYHJA-HNNXBMFYSA-N 1 3 309.404 2.049 20 0 DEADHO C[C@H]1C[NH+](C[C@H](O)[C@@H](N)Cc2ccccc2)C[C@H](C)C1(F)F ZINC000629552503 367246094 /nfs/dbraw/zinc/24/60/94/367246094.db2.gz LDIRLOMOXAHOJV-SDADXPQNSA-N 1 3 312.404 2.140 20 0 DEADHO CN(CCOCC[NH3+])Cc1ccc(OCC(F)(F)F)cc1 ZINC000629578991 367258213 /nfs/dbraw/zinc/25/82/13/367258213.db2.gz OISLJYYILBGTSR-UHFFFAOYSA-N 1 3 306.328 2.035 20 0 DEADHO NCc1cn([C@@H]2CC[N@@H+]([C@H]3CCCc4ccc(F)cc43)C2)nn1 ZINC000631844960 368420124 /nfs/dbraw/zinc/42/01/24/368420124.db2.gz QGKNCKJHWGTCNV-WBVHZDCISA-N 1 3 315.396 2.200 20 0 DEADHO NCc1cn([C@@H]2CC[N@H+]([C@H]3CCCc4ccc(F)cc43)C2)nn1 ZINC000631844960 368420126 /nfs/dbraw/zinc/42/01/26/368420126.db2.gz QGKNCKJHWGTCNV-WBVHZDCISA-N 1 3 315.396 2.200 20 0 DEADHO CN(C)[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)c1ccccc1 ZINC000261835513 203129166 /nfs/dbraw/zinc/12/91/66/203129166.db2.gz YALLESHVDGQUFC-ZJPYXAASSA-N 1 3 315.461 2.326 20 0 DEADHO CCC[C@](C)([NH3+])C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000262095196 203196089 /nfs/dbraw/zinc/19/60/89/203196089.db2.gz BHKMBIKFHPEMLL-HFTRVMKXSA-N 1 3 303.450 2.283 20 0 DEADHO CCC[C@](C)([NH3+])C(=O)NCCCN1CCc2ccccc2C1 ZINC000262107466 203201556 /nfs/dbraw/zinc/20/15/56/203201556.db2.gz FZQGNHZIMBKJOV-SFHVURJKSA-N 1 3 303.450 2.069 20 0 DEADHO CCC[C@@](C)([NH3+])C(=O)NCCCN1CCc2ccccc2C1 ZINC000262107464 203201918 /nfs/dbraw/zinc/20/19/18/203201918.db2.gz FZQGNHZIMBKJOV-GOSISDBHSA-N 1 3 303.450 2.069 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)N(C)Cc1ccccc1 ZINC000262277800 203248982 /nfs/dbraw/zinc/24/89/82/203248982.db2.gz JZAMQJXZIRIVBF-PVAVHDDUSA-N 1 3 303.450 2.141 20 0 DEADHO C[C@H](CNC(=O)[C@@H](C)[C@H](N)c1ccccc1)C[NH+]1CCCC1 ZINC000262351915 203270144 /nfs/dbraw/zinc/27/01/44/203270144.db2.gz VIGSDTXDWZHESS-VYDXJSESSA-N 1 3 303.450 2.171 20 0 DEADHO CCN(C(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420342886 284151839 /nfs/dbraw/zinc/15/18/39/284151839.db2.gz QKCOLBWELLKTQH-IAGOWNOFSA-N 1 3 315.461 2.361 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H](N)Cc2ccccc2)C1 ZINC000262663529 203371707 /nfs/dbraw/zinc/37/17/07/203371707.db2.gz HSEIHUAPUGOIJR-JFIYKMOQSA-N 1 3 317.477 2.041 20 0 DEADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2cnc(C)cn2)[C@H](C)C1 ZINC000453410859 245122022 /nfs/dbraw/zinc/12/20/22/245122022.db2.gz VLNYXPYXYILGBY-CRAIPNDOSA-N 1 3 320.481 2.054 20 0 DEADHO CCOCCC[N@H+]1CC[C@@H](NCCc2cnc(C)cn2)[C@H](C)C1 ZINC000453410859 245122033 /nfs/dbraw/zinc/12/20/33/245122033.db2.gz VLNYXPYXYILGBY-CRAIPNDOSA-N 1 3 320.481 2.054 20 0 DEADHO CCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274894751 212016883 /nfs/dbraw/zinc/01/68/83/212016883.db2.gz KBVNEJHLBQCUES-ZOBUZTSGSA-N 1 3 303.450 2.011 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[N@H+](C)Cc1ccc(C)cc1 ZINC001422233025 1172418801 /nfs/dbraw/zinc/41/88/01/1172418801.db2.gz VYKTUMAXXBALFO-UHFFFAOYSA-N 1 3 305.466 2.227 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[N@@H+](C)Cc1ccc(C)cc1 ZINC001422233025 1172418805 /nfs/dbraw/zinc/41/88/05/1172418805.db2.gz VYKTUMAXXBALFO-UHFFFAOYSA-N 1 3 305.466 2.227 20 0 DEADHO c1ccc(CN2CCN(CCCC[NH2+]C3CSC3)CC2)cc1 ZINC000679624535 541883456 /nfs/dbraw/zinc/88/34/56/541883456.db2.gz CCHVJCKTBVHEJG-UHFFFAOYSA-N 1 3 319.518 2.289 20 0 DEADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCC12CC(C1)CO2 ZINC000530218011 284375783 /nfs/dbraw/zinc/37/57/83/284375783.db2.gz DCSVPLAYLDNWIE-ONWXTNQRSA-N 1 3 300.402 2.011 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000267399033 206038810 /nfs/dbraw/zinc/03/88/10/206038810.db2.gz JDECXLVZMMPOOB-FUHWJXTLSA-N 1 3 317.477 2.353 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000267399033 206038815 /nfs/dbraw/zinc/03/88/15/206038815.db2.gz JDECXLVZMMPOOB-FUHWJXTLSA-N 1 3 317.477 2.353 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NCCCC[N@H+](C)C1CC1 ZINC000454875773 246218702 /nfs/dbraw/zinc/21/87/02/246218702.db2.gz OEJNZUBBHQWNFG-INIZCTEOSA-N 1 3 324.513 2.280 20 0 DEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000454875773 246218708 /nfs/dbraw/zinc/21/87/08/246218708.db2.gz OEJNZUBBHQWNFG-INIZCTEOSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H]1CN(Cc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)CN1C ZINC000681492126 542156012 /nfs/dbraw/zinc/15/60/12/542156012.db2.gz OOXJHKVDMLLNSU-CVEARBPZSA-N 1 3 305.466 2.151 20 0 DEADHO COc1ccc(C[C@@H](C)CNC[C@H](O)C[NH+]2CCCC2)cc1F ZINC000273827680 211092494 /nfs/dbraw/zinc/09/24/94/211092494.db2.gz YGSJYLLGQWRZGE-ZBFHGGJFSA-N 1 3 324.440 2.059 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)[C@H](C)[C@@H](C)[NH3+])c1cccc(OC)c1 ZINC000192090570 284771714 /nfs/dbraw/zinc/77/17/14/284771714.db2.gz SXQMFESFWLJEGI-CPUCHLNUSA-N 1 3 321.465 2.178 20 0 DEADHO CN1CCN(CC[NH2+][C@@H]2CCCc3c(O)cccc32)CC1(C)C ZINC000285254024 218353636 /nfs/dbraw/zinc/35/36/36/218353636.db2.gz QBGMNWKVVICMHB-QGZVFWFLSA-N 1 3 317.477 2.385 20 0 DEADHO COCC[N@H+](C)CCCN[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000268844134 207011275 /nfs/dbraw/zinc/01/12/75/207011275.db2.gz VCAGXUAGUVDYHY-MRXNPFEDSA-N 1 3 316.449 2.491 20 0 DEADHO COCC[N@@H+](C)CCCN[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000268844134 207011279 /nfs/dbraw/zinc/01/12/79/207011279.db2.gz VCAGXUAGUVDYHY-MRXNPFEDSA-N 1 3 316.449 2.491 20 0 DEADHO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000268838880 207003925 /nfs/dbraw/zinc/00/39/25/207003925.db2.gz CDIWRVUSHBVQPL-CABCVRRESA-N 1 3 306.450 2.156 20 0 DEADHO COC(=O)c1ccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@@H]32)cc1 ZINC000269126748 207260137 /nfs/dbraw/zinc/26/01/37/207260137.db2.gz FKXJPWCNSYUSDJ-IRXDYDNUSA-N 1 3 302.418 2.389 20 0 DEADHO COC(=O)c1ccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@@H]32)cc1 ZINC000269126748 207260140 /nfs/dbraw/zinc/26/01/40/207260140.db2.gz FKXJPWCNSYUSDJ-IRXDYDNUSA-N 1 3 302.418 2.389 20 0 DEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)CCCCCC[NH3+] ZINC000269245000 207378672 /nfs/dbraw/zinc/37/86/72/207378672.db2.gz LLQGDLKUZUNEOY-QGZVFWFLSA-N 1 3 305.466 2.185 20 0 DEADHO [NH3+]CCOCCN(CCc1ccccn1)Cc1ccc(F)cc1 ZINC000357080565 207397238 /nfs/dbraw/zinc/39/72/38/207397238.db2.gz UQQYJTOEKGJQNC-UHFFFAOYSA-N 1 3 317.408 2.241 20 0 DEADHO C[NH2+][C@H]1CCN(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)C1 ZINC000417707004 533031514 /nfs/dbraw/zinc/03/15/14/533031514.db2.gz PTWLWBJXHVWHDT-ZBFHGGJFSA-N 1 3 318.465 2.119 20 0 DEADHO CCO[C@@H]1C[C@H]([NH2+]CCCCN2CCN(C)CC2)C12CCCC2 ZINC000539500028 285078736 /nfs/dbraw/zinc/07/87/36/285078736.db2.gz XAPUVBQTDFKDAO-ZWKOTPCHSA-N 1 3 323.525 2.341 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+](CC)[C@H]2CCOC2)CC1 ZINC000361236947 285118442 /nfs/dbraw/zinc/11/84/42/285118442.db2.gz HEULBHWNBWMTQJ-SFHVURJKSA-N 1 3 317.477 2.439 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+](CC)[C@H]2CCOC2)CC1 ZINC000361236947 285118444 /nfs/dbraw/zinc/11/84/44/285118444.db2.gz HEULBHWNBWMTQJ-SFHVURJKSA-N 1 3 317.477 2.439 20 0 DEADHO Cc1ccnc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000683023827 542391992 /nfs/dbraw/zinc/39/19/92/542391992.db2.gz YASGQONVRBMGBJ-UHFFFAOYSA-N 1 3 316.493 2.240 20 0 DEADHO CCN1CCC(NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000337388550 285190304 /nfs/dbraw/zinc/19/03/04/285190304.db2.gz GFFDLZCIXDJVNP-MRXNPFEDSA-N 1 3 324.513 2.425 20 0 DEADHO CCN1CCC(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000337388550 285190309 /nfs/dbraw/zinc/19/03/09/285190309.db2.gz GFFDLZCIXDJVNP-MRXNPFEDSA-N 1 3 324.513 2.425 20 0 DEADHO O=C(NCC[NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000559628959 291916435 /nfs/dbraw/zinc/91/64/35/291916435.db2.gz QPZWFQGHDZGECS-UHFFFAOYSA-N 1 3 324.428 2.070 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1C[C@H]1C(C)C ZINC000459243988 285244851 /nfs/dbraw/zinc/24/48/51/285244851.db2.gz IKLWLVNXPZDDMT-IXDOHACOSA-N 1 3 324.513 2.088 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1C[C@H]1C(C)C ZINC000459243988 285244852 /nfs/dbraw/zinc/24/48/52/285244852.db2.gz IKLWLVNXPZDDMT-IXDOHACOSA-N 1 3 324.513 2.088 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC1(C)C ZINC000358490158 285245363 /nfs/dbraw/zinc/24/53/63/285245363.db2.gz YYWXTJCKYPBOPU-HZPDHXFCSA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC1(C)C ZINC000358490158 285245364 /nfs/dbraw/zinc/24/53/64/285245364.db2.gz YYWXTJCKYPBOPU-HZPDHXFCSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000289474843 221001743 /nfs/dbraw/zinc/00/17/43/221001743.db2.gz BFFSTGNCRRBOTE-IKGGRYGDSA-N 1 3 303.450 2.040 20 0 DEADHO C[N@H+](CCC(=O)N[C@H]1CCN(CC2CC2)C1)C1CCCCC1 ZINC000684163425 542560487 /nfs/dbraw/zinc/56/04/87/542560487.db2.gz LAZZGAQVQRLDBU-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO C[N@@H+](CCC(=O)N[C@H]1CCN(CC2CC2)C1)C1CCCCC1 ZINC000684163425 542560493 /nfs/dbraw/zinc/56/04/93/542560493.db2.gz LAZZGAQVQRLDBU-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]([NH2+]C1CC1)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000295929717 533332627 /nfs/dbraw/zinc/33/26/27/533332627.db2.gz FNCMTJWXGURODH-OAHLLOKOSA-N 1 3 315.461 2.250 20 0 DEADHO C[C@@H](NCC1(N2CCSCC2)CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422710000 533362769 /nfs/dbraw/zinc/36/27/69/533362769.db2.gz KPZSRYGWGUBWRN-CVEARBPZSA-N 1 3 311.539 2.468 20 0 DEADHO C[C@@H](NCC1(N2CCSCC2)CCCC1)[C@H]1CCCC[NH2+]1 ZINC000422847344 533362776 /nfs/dbraw/zinc/36/27/76/533362776.db2.gz RGIKBPWPNYTEMN-HZPDHXFCSA-N 1 3 311.539 2.468 20 0 DEADHO C[C@@H](NC(C)(C)CNC(=O)N1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000417713863 533323650 /nfs/dbraw/zinc/32/36/50/533323650.db2.gz YSONCDVXUXUWAB-HUUCEWRRSA-N 1 3 318.465 2.106 20 0 DEADHO C[C@@H](CC[NH3+])NC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000417316854 533577608 /nfs/dbraw/zinc/57/76/08/533577608.db2.gz GNHBYKBMZFELIK-RDJZCZTQSA-N 1 3 318.465 2.078 20 0 DEADHO COc1cccc(N2CC[C@@H]([NH2+][C@@H](C)[C@@H]3CCCCN3)C2)c1 ZINC000422701475 533583649 /nfs/dbraw/zinc/58/36/49/533583649.db2.gz BZSDGDTUXJFEPO-DAYGRLMNSA-N 1 3 303.450 2.394 20 0 DEADHO C[C@H]1CCNC(=O)[C@@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411701402 533658619 /nfs/dbraw/zinc/65/86/19/533658619.db2.gz ZTELVWBCIVWAQS-MAUKXSAKSA-N 1 3 315.461 2.287 20 0 DEADHO CC(C)Cn1cc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cn1 ZINC000562751403 292008717 /nfs/dbraw/zinc/00/87/17/292008717.db2.gz QYXFLZBOWPJLRU-ZWKOTPCHSA-N 1 3 320.481 2.257 20 0 DEADHO C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CCN(C2CCC2)C1 ZINC000562814972 292012597 /nfs/dbraw/zinc/01/25/97/292012597.db2.gz GVKYBDUUNWDFGQ-ZMSDIMECSA-N 1 3 322.497 2.020 20 0 DEADHO CN(C)[C@@H]1CCCN(C(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000356115171 133067225 /nfs/dbraw/zinc/06/72/25/133067225.db2.gz HWUMEOGCOOJKCI-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)N1CCCCC1 ZINC000356256213 133074681 /nfs/dbraw/zinc/07/46/81/133074681.db2.gz RYIQVEWRVXFZKU-IEBWSBKVSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)N1CCCCC1 ZINC000356256213 133074682 /nfs/dbraw/zinc/07/46/82/133074682.db2.gz RYIQVEWRVXFZKU-IEBWSBKVSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)C1=CCN(C)CC1 ZINC000357873712 133106739 /nfs/dbraw/zinc/10/67/39/133106739.db2.gz QKTJAEXJNSYVMU-OWCLPIDISA-N 1 3 322.497 2.056 20 0 DEADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)C1=CCN(C)CC1 ZINC000357873712 133106740 /nfs/dbraw/zinc/10/67/40/133106740.db2.gz QKTJAEXJNSYVMU-OWCLPIDISA-N 1 3 322.497 2.056 20 0 DEADHO c1ccc(CN2CCC(N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)nc1 ZINC000359945590 133154195 /nfs/dbraw/zinc/15/41/95/133154195.db2.gz XVPMZMQESNKLDP-RBUKOAKNSA-N 1 3 314.477 2.262 20 0 DEADHO c1ccc(CN2CCC(N[C@H]3CC[N@H+]4CCCC[C@H]34)CC2)nc1 ZINC000359945590 133154196 /nfs/dbraw/zinc/15/41/96/133154196.db2.gz XVPMZMQESNKLDP-RBUKOAKNSA-N 1 3 314.477 2.262 20 0 DEADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000362491538 133233071 /nfs/dbraw/zinc/23/30/71/133233071.db2.gz YTMGSVTUDIZVEY-KBAYOESNSA-N 1 3 315.461 2.137 20 0 DEADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000362491538 133233072 /nfs/dbraw/zinc/23/30/72/133233072.db2.gz YTMGSVTUDIZVEY-KBAYOESNSA-N 1 3 315.461 2.137 20 0 DEADHO Cc1noc(C)c1CN1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368332801 133269393 /nfs/dbraw/zinc/26/93/93/133269393.db2.gz PBHJWTNCRDNOLX-UHFFFAOYSA-N 1 3 320.481 2.141 20 0 DEADHO CN1CCN(CC2(C)CC[NH+](C[C@H]3CCC=CO3)CC2)CC1 ZINC000377186389 133321806 /nfs/dbraw/zinc/32/18/06/133321806.db2.gz ALCFYSMGZWOKMS-QGZVFWFLSA-N 1 3 307.482 2.029 20 0 DEADHO O=C(N1CCCN(C2CCCC2)CC1)C12CCC[NH+]1CCC2 ZINC000377813505 133347914 /nfs/dbraw/zinc/34/79/14/133347914.db2.gz GKXQBBYYYOGUQE-UHFFFAOYSA-N 1 3 305.466 2.092 20 0 DEADHO O=C(NCCN1CCCCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000372719362 133363520 /nfs/dbraw/zinc/36/35/20/133363520.db2.gz TVYSGDHGDPZEIO-MRXNPFEDSA-N 1 3 307.482 2.243 20 0 DEADHO O=C(NCCN1CCCCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000372719362 133363521 /nfs/dbraw/zinc/36/35/21/133363521.db2.gz TVYSGDHGDPZEIO-MRXNPFEDSA-N 1 3 307.482 2.243 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001368660446 1148558413 /nfs/dbraw/zinc/55/84/13/1148558413.db2.gz RLUULGVLGFNBFF-DOTOQJQBSA-N 1 3 321.509 2.343 20 0 DEADHO COC[C@@H](O)CNCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000563528723 292061289 /nfs/dbraw/zinc/06/12/89/292061289.db2.gz BZOJMQUULCALOR-SFHVURJKSA-N 1 3 306.450 2.015 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000563715937 292070900 /nfs/dbraw/zinc/07/09/00/292070900.db2.gz MEDZWDUNFHAQPX-DZKIICNBSA-N 1 3 321.440 2.280 20 0 DEADHO CC(C)[NH2+]CCC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000564907819 292120006 /nfs/dbraw/zinc/12/00/06/292120006.db2.gz QYCQLZNDTCYAIM-DOTOQJQBSA-N 1 3 303.450 2.326 20 0 DEADHO COc1ccc(OC)c(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000192759311 145078211 /nfs/dbraw/zinc/07/82/11/145078211.db2.gz IBLCMZOZJCJUSZ-MQVJKMGUSA-N 1 3 304.434 2.461 20 0 DEADHO COc1ccc(OC)c(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000192759311 145078213 /nfs/dbraw/zinc/07/82/13/145078213.db2.gz IBLCMZOZJCJUSZ-MQVJKMGUSA-N 1 3 304.434 2.461 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000246209718 145094704 /nfs/dbraw/zinc/09/47/04/145094704.db2.gz FTGWSRDQZZSSLS-KURKYZTESA-N 1 3 315.461 2.285 20 0 DEADHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(CN(C)C)cc2)C1 ZINC000247350917 145134864 /nfs/dbraw/zinc/13/48/64/145134864.db2.gz NZXZYPPQLIKIKQ-RHSMWYFYSA-N 1 3 303.450 2.207 20 0 DEADHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(CN(C)C)cc2)C1 ZINC000247350917 145134865 /nfs/dbraw/zinc/13/48/65/145134865.db2.gz NZXZYPPQLIKIKQ-RHSMWYFYSA-N 1 3 303.450 2.207 20 0 DEADHO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000249010727 145175765 /nfs/dbraw/zinc/17/57/65/145175765.db2.gz JKXBBCKRWYIBCE-PWNZVWSESA-N 1 3 309.479 2.231 20 0 DEADHO c1cc2c(cc1CN1CCC([C@@H]3CCC[NH2+]3)CC1)OCCO2 ZINC000261826827 145231291 /nfs/dbraw/zinc/23/12/91/145231291.db2.gz BEBIIHIVWBPICM-INIZCTEOSA-N 1 3 302.418 2.422 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000261896189 145238360 /nfs/dbraw/zinc/23/83/60/145238360.db2.gz UMFJXNWUISFUCP-RYRKJORJSA-N 1 3 315.461 2.328 20 0 DEADHO C[C@H]([NH3+])CC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000261891559 145238467 /nfs/dbraw/zinc/23/84/67/145238467.db2.gz UAJZJRSTQDCQMG-RDJZCZTQSA-N 1 3 303.450 2.313 20 0 DEADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1oc2ccccc2c1CN(C)C ZINC000261901046 145239256 /nfs/dbraw/zinc/23/92/56/145239256.db2.gz WSONFHVGZKQQOL-QWHCGFSZSA-N 1 3 315.417 2.304 20 0 DEADHO O=C(Nc1ccccc1)C1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000262026724 145254277 /nfs/dbraw/zinc/25/42/77/145254277.db2.gz WRTXZFVCQRCVIR-OAHLLOKOSA-N 1 3 301.434 2.337 20 0 DEADHO C[NH2+]CCC1CCN([C@H](C)C(=O)NCCc2ccccc2)CC1 ZINC000262026938 145254501 /nfs/dbraw/zinc/25/45/01/145254501.db2.gz ZVTZXQGUNJOQMJ-MRXNPFEDSA-N 1 3 317.477 2.055 20 0 DEADHO [NH3+][C@@H]1CCC[C@H]2CN(CCC(=O)Nc3cccc(F)c3)C[C@@H]21 ZINC000262092925 145260836 /nfs/dbraw/zinc/26/08/36/145260836.db2.gz IBQSXOMANPTPDE-VBNZEHGJSA-N 1 3 305.397 2.214 20 0 DEADHO C[C@@H](CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)N1CCC[C@@H](C)C1 ZINC000262338735 145278153 /nfs/dbraw/zinc/27/81/53/145278153.db2.gz HROXPBZRSKIKNQ-MUQADHOPSA-N 1 3 307.482 2.003 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000263001525 145316760 /nfs/dbraw/zinc/31/67/60/145316760.db2.gz PWHHETBPQVXUHB-UFBFGSQYSA-N 1 3 303.328 2.476 20 0 DEADHO CC(C)(C)[C@H](N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309703971 145350846 /nfs/dbraw/zinc/35/08/46/145350846.db2.gz HBJWMKKPQVZYHN-IAGOWNOFSA-N 1 3 317.477 2.388 20 0 DEADHO CC(C)(C)[C@H](N)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309703971 145350848 /nfs/dbraw/zinc/35/08/48/145350848.db2.gz HBJWMKKPQVZYHN-IAGOWNOFSA-N 1 3 317.477 2.388 20 0 DEADHO Cc1nc(COc2ccc(CN3CC[C@@H]([C@@H](C)[NH3+])C3)cc2)no1 ZINC000346644952 146116258 /nfs/dbraw/zinc/11/62/58/146116258.db2.gz NRBSNGYZLBJDFO-IUODEOHRSA-N 1 3 316.405 2.126 20 0 DEADHO Cn1ccnc1COc1ccc(CN2CCC(C[NH3+])CC2)cc1 ZINC000346683198 146123814 /nfs/dbraw/zinc/12/38/14/146123814.db2.gz FWVOJUKIKKBHNQ-UHFFFAOYSA-N 1 3 314.433 2.170 20 0 DEADHO CC(C)[NH2+]CC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000565250625 292150772 /nfs/dbraw/zinc/15/07/72/292150772.db2.gz SRODAFDBMYKSGY-BBRMVZONSA-N 1 3 309.479 2.245 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3N3CCOCC3)C[C@@H]21 ZINC000346847464 146152707 /nfs/dbraw/zinc/15/27/07/146152707.db2.gz MPUFCYLYGHZWGZ-BPQIPLTHSA-N 1 3 315.461 2.082 20 0 DEADHO C[C@@H](CCc1ccccc1)C[N@@H+]1CC[C@H](N2CCNCC2)C1 ZINC000348974811 146335276 /nfs/dbraw/zinc/33/52/76/146335276.db2.gz MKFMRQXQRDIUNI-HKUYNNGSSA-N 1 3 301.478 2.235 20 0 DEADHO C[C@@H](CCc1ccccc1)C[N@H+]1CC[C@H](N2CCNCC2)C1 ZINC000348974811 146335278 /nfs/dbraw/zinc/33/52/78/146335278.db2.gz MKFMRQXQRDIUNI-HKUYNNGSSA-N 1 3 301.478 2.235 20 0 DEADHO CC[N@H+](CCC1CCN(CC(=O)N2CCC2)CC1)CC1CC1 ZINC000357088333 147038804 /nfs/dbraw/zinc/03/88/04/147038804.db2.gz RULBKRMKCZSBRQ-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO CC[N@@H+](CCC1CCN(CC(=O)N2CCC2)CC1)CC1CC1 ZINC000357088333 147038806 /nfs/dbraw/zinc/03/88/06/147038806.db2.gz RULBKRMKCZSBRQ-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO CC(C)CCC[C@H](C)NC(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358509035 147147613 /nfs/dbraw/zinc/14/76/13/147147613.db2.gz MMXGMJHZHPKVTB-INIZCTEOSA-N 1 3 309.498 2.393 20 0 DEADHO C[NH+](C)C1(CNC(=O)[C@H](CN)c2ccc(F)cc2)CCCCC1 ZINC000358781494 147204145 /nfs/dbraw/zinc/20/41/45/147204145.db2.gz OJBXXMJIRCCUKO-MRXNPFEDSA-N 1 3 321.440 2.249 20 0 DEADHO Cc1cc2[nH]c(C[NH2+]CC3(O)CCN(C)CC3)cc2c(C)c1 ZINC000358980210 147241561 /nfs/dbraw/zinc/24/15/61/147241561.db2.gz GWEBHDRGVDXIBD-UHFFFAOYSA-N 1 3 301.434 2.331 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000359269553 147296503 /nfs/dbraw/zinc/29/65/03/147296503.db2.gz YLVOVOKWGBDUEM-SFHVURJKSA-N 1 3 317.477 2.009 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000359269553 147296506 /nfs/dbraw/zinc/29/65/06/147296506.db2.gz YLVOVOKWGBDUEM-SFHVURJKSA-N 1 3 317.477 2.009 20 0 DEADHO Cc1nc(CN2CCC(C[NH2+][C@H]3CCC[C@H](N)C3)CC2)oc1C ZINC000565550407 292170596 /nfs/dbraw/zinc/17/05/96/292170596.db2.gz XHXXGIYQLQLJHN-IRXDYDNUSA-N 1 3 320.481 2.363 20 0 DEADHO CO[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000423139708 286014667 /nfs/dbraw/zinc/01/46/67/286014667.db2.gz WLGGJKUVPSOWEJ-JQHSSLGASA-N 1 3 302.418 2.257 20 0 DEADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)Nc1ccc(N2CCNCC2)cn1 ZINC000566088009 292203937 /nfs/dbraw/zinc/20/39/37/292203937.db2.gz KWDBOPAQYNNLBY-HOTGVXAUSA-N 1 3 317.481 2.214 20 0 DEADHO C[C@H](NC(=O)C(C)(C)N1CCCCC1)C1C[NH+](CCCF)C1 ZINC001422722325 1172830367 /nfs/dbraw/zinc/83/03/67/1172830367.db2.gz AGCZZUFPDGRISB-AWEZNQCLSA-N 1 3 313.461 2.047 20 0 DEADHO CCN1CCC(NC(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000111801990 401724491 /nfs/dbraw/zinc/72/44/91/401724491.db2.gz VZYCKUUWFCWLBI-UHFFFAOYSA-N 1 3 324.513 2.426 20 0 DEADHO C[C@H]1CCCN(CCNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000071923558 401697923 /nfs/dbraw/zinc/69/79/23/401697923.db2.gz SNOVSYSRJKGVMZ-IRXDYDNUSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@H]1CCCN(CCNC(=O)NCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000071923558 401697925 /nfs/dbraw/zinc/69/79/25/401697925.db2.gz SNOVSYSRJKGVMZ-IRXDYDNUSA-N 1 3 324.513 2.282 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000073661200 401719929 /nfs/dbraw/zinc/71/99/29/401719929.db2.gz UYTNOQNJMBILOR-KRWDZBQOSA-N 1 3 324.513 2.425 20 0 DEADHO CCN1CCC[C@H]1CNC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000073661200 401719931 /nfs/dbraw/zinc/71/99/31/401719931.db2.gz UYTNOQNJMBILOR-KRWDZBQOSA-N 1 3 324.513 2.425 20 0 DEADHO CC[N@H+](C)CCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000112925550 401761776 /nfs/dbraw/zinc/76/17/76/401761776.db2.gz LHOMECRSZVTWMJ-MRXNPFEDSA-N 1 3 321.440 2.106 20 0 DEADHO CC[N@@H+](C)CCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000112925550 401761777 /nfs/dbraw/zinc/76/17/77/401761777.db2.gz LHOMECRSZVTWMJ-MRXNPFEDSA-N 1 3 321.440 2.106 20 0 DEADHO Cc1cc(NC(=O)CC[N@@H+](C)CC[C@@H]2CCCCN2C)no1 ZINC000075860306 401771093 /nfs/dbraw/zinc/77/10/93/401771093.db2.gz PJFDEDGTQKDOGY-AWEZNQCLSA-N 1 3 308.426 2.118 20 0 DEADHO Cc1cc(NC(=O)CC[N@H+](C)CC[C@@H]2CCCCN2C)no1 ZINC000075860306 401771095 /nfs/dbraw/zinc/77/10/95/401771095.db2.gz PJFDEDGTQKDOGY-AWEZNQCLSA-N 1 3 308.426 2.118 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000113404512 401777754 /nfs/dbraw/zinc/77/77/54/401777754.db2.gz LKUYXXPYICYUQJ-KRWDZBQOSA-N 1 3 324.513 2.234 20 0 DEADHO Cc1ccc([C@@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000077782194 401830819 /nfs/dbraw/zinc/83/08/19/401830819.db2.gz IDEQUGZSFVHUGL-MRXNPFEDSA-N 1 3 320.481 2.191 20 0 DEADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCCC1 ZINC000025419008 401834589 /nfs/dbraw/zinc/83/45/89/401834589.db2.gz JTAGIMFNCFDBPI-MRXNPFEDSA-N 1 3 315.461 2.252 20 0 DEADHO C[C@H](CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)N1CCC(C)CC1 ZINC000115811987 401837479 /nfs/dbraw/zinc/83/74/79/401837479.db2.gz CBOYVTWIXLLKLG-SJORKVTESA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)N1CCC(C)CC1 ZINC000115811987 401837480 /nfs/dbraw/zinc/83/74/80/401837480.db2.gz CBOYVTWIXLLKLG-SJORKVTESA-N 1 3 324.513 2.090 20 0 DEADHO CN(CCN1CCCC1)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116567484 401854977 /nfs/dbraw/zinc/85/49/77/401854977.db2.gz PLUKENQAZIZJNF-HNNXBMFYSA-N 1 3 312.502 2.090 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000079077337 401869868 /nfs/dbraw/zinc/86/98/68/401869868.db2.gz KVFZIARSEQRMAZ-CQSZACIVSA-N 1 3 324.513 2.469 20 0 DEADHO C[C@H](CNC(=O)NCC(C)(C)N1CCCCC1)C[NH+]1CCCC1 ZINC000079857270 401882333 /nfs/dbraw/zinc/88/23/33/401882333.db2.gz HDCVDNYZHPTGEI-MRXNPFEDSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000134644053 401910131 /nfs/dbraw/zinc/91/01/31/401910131.db2.gz FFAMVLSOWUCXQW-HLLBOEOZSA-N 1 3 304.434 2.215 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)CC1 ZINC000085408459 401915510 /nfs/dbraw/zinc/91/55/10/401915510.db2.gz KZDYAOASTOPZCW-RDJZCZTQSA-N 1 3 324.513 2.090 20 0 DEADHO CC[NH2+]Cc1cccc(NC(=O)C2(N)Cc3ccccc3C2)c1 ZINC000123102889 402110654 /nfs/dbraw/zinc/11/06/54/402110654.db2.gz WAIRDVBFFUEALE-UHFFFAOYSA-N 1 3 309.413 2.231 20 0 DEADHO CCN(CC)CC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000063678145 402114270 /nfs/dbraw/zinc/11/42/70/402114270.db2.gz GDTBDBYALUBSDJ-UHFFFAOYSA-N 1 3 303.450 2.240 20 0 DEADHO C[NH+](C)[C@@H](CNC(=O)c1cccc(CN2CCCC2)c1)C1CC1 ZINC000064300046 402118397 /nfs/dbraw/zinc/11/83/97/402118397.db2.gz CPSQMDGRUGPQHO-SFHVURJKSA-N 1 3 315.461 2.352 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000123832808 402148932 /nfs/dbraw/zinc/14/89/32/402148932.db2.gz NZURPQSYUHMTLF-JOCBIADPSA-N 1 3 321.509 2.486 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000123832808 402148936 /nfs/dbraw/zinc/14/89/36/402148936.db2.gz NZURPQSYUHMTLF-JOCBIADPSA-N 1 3 321.509 2.486 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000123847616 402149912 /nfs/dbraw/zinc/14/99/12/402149912.db2.gz DCIZLNLMCGAVIG-SJORKVTESA-N 1 3 303.450 2.280 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000123847616 402149914 /nfs/dbraw/zinc/14/99/14/402149914.db2.gz DCIZLNLMCGAVIG-SJORKVTESA-N 1 3 303.450 2.280 20 0 DEADHO CSC[C@](C)(O)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000153618051 402157171 /nfs/dbraw/zinc/15/71/71/402157171.db2.gz DDZXGXGXXFOUOV-MRXNPFEDSA-N 1 3 300.512 2.487 20 0 DEADHO CSC[C@](C)(O)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000153618051 402157173 /nfs/dbraw/zinc/15/71/73/402157173.db2.gz DDZXGXGXXFOUOV-MRXNPFEDSA-N 1 3 300.512 2.487 20 0 DEADHO CN(C)CCN(C(=O)NCCC1CC[NH+](C)CC1)C1CCCC1 ZINC000124541851 402185125 /nfs/dbraw/zinc/18/51/25/402185125.db2.gz YQBDCZSHMJBHLK-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO CC[C@@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)N(C)C ZINC000154187315 402197876 /nfs/dbraw/zinc/19/78/76/402197876.db2.gz AVZGSGNHHHMTCV-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@H]1C[C@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)CN1C1CC1 ZINC000154576170 402219313 /nfs/dbraw/zinc/21/93/13/402219313.db2.gz VKHXROWXYSJUOU-GJZGRUSLSA-N 1 3 322.497 2.175 20 0 DEADHO Cc1nccn1CCCC[NH+]1CCC(CN2CCOCC2)CC1 ZINC000125471211 402234240 /nfs/dbraw/zinc/23/42/40/402234240.db2.gz YULBBEDLLHZEKW-UHFFFAOYSA-N 1 3 320.481 2.016 20 0 DEADHO CC(C)(CNC1CC[NH+](C2CCCCC2)CC1)N1CCOCC1 ZINC000155291056 402251433 /nfs/dbraw/zinc/25/14/33/402251433.db2.gz DUXHOFZXWLUYNX-UHFFFAOYSA-N 1 3 323.525 2.484 20 0 DEADHO CC(C)(C[NH2+]C1CCN(C2CCCCC2)CC1)N1CCOCC1 ZINC000155291056 402251434 /nfs/dbraw/zinc/25/14/34/402251434.db2.gz DUXHOFZXWLUYNX-UHFFFAOYSA-N 1 3 323.525 2.484 20 0 DEADHO CC[NH+](CC)CC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000155476201 402258434 /nfs/dbraw/zinc/25/84/34/402258434.db2.gz QNLJFPIHRRSZRD-OAHLLOKOSA-N 1 3 318.465 2.065 20 0 DEADHO CN1CCN(CCCC[NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000154338017 402207189 /nfs/dbraw/zinc/20/71/89/402207189.db2.gz UCMFGJAPQFPSJZ-GOSISDBHSA-N 1 3 305.441 2.430 20 0 DEADHO Cc1nc2c(s1)[C@H]([NH2+]CCCCN1CCN(C)CC1)CCC2 ZINC000154413589 402211460 /nfs/dbraw/zinc/21/14/60/402211460.db2.gz JZZIOBZTNGBSPK-OAHLLOKOSA-N 1 3 322.522 2.446 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](CN[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000225882314 402325049 /nfs/dbraw/zinc/32/50/49/402325049.db2.gz ICSAFARELJQBPZ-LSDHHAIUSA-N 1 3 311.470 2.316 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](CN[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000225882314 402325050 /nfs/dbraw/zinc/32/50/50/402325050.db2.gz ICSAFARELJQBPZ-LSDHHAIUSA-N 1 3 311.470 2.316 20 0 DEADHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000225882314 402325051 /nfs/dbraw/zinc/32/50/51/402325051.db2.gz ICSAFARELJQBPZ-LSDHHAIUSA-N 1 3 311.470 2.316 20 0 DEADHO CC(C)(C)OC(=O)N1CCC[C@H](NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000220788583 402303055 /nfs/dbraw/zinc/30/30/55/402303055.db2.gz NNDKCIYVWCSSRK-CABCVRRESA-N 1 3 323.481 2.460 20 0 DEADHO CC(C)(C)OC(=O)N1CCC[C@H](NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000220788583 402303057 /nfs/dbraw/zinc/30/30/57/402303057.db2.gz NNDKCIYVWCSSRK-CABCVRRESA-N 1 3 323.481 2.460 20 0 DEADHO CC[C@@H](C)CN(C)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000158510343 402307001 /nfs/dbraw/zinc/30/70/01/402307001.db2.gz BSEOJHIRUNIZRH-WBVHZDCISA-N 1 3 305.466 2.383 20 0 DEADHO CC[C@@H](C)C[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000158510343 402307004 /nfs/dbraw/zinc/30/70/04/402307004.db2.gz BSEOJHIRUNIZRH-WBVHZDCISA-N 1 3 305.466 2.383 20 0 DEADHO CC[C@@H](C)C[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000158510343 402307005 /nfs/dbraw/zinc/30/70/05/402307005.db2.gz BSEOJHIRUNIZRH-WBVHZDCISA-N 1 3 305.466 2.383 20 0 DEADHO CN(CCN(C)C1CC1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000185039852 402318737 /nfs/dbraw/zinc/31/87/37/402318737.db2.gz BFGOXXIKEJDWMU-UHFFFAOYSA-N 1 3 310.486 2.031 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)[C@]2(C)CCC[NH2+]C2)cc1 ZINC000236727664 402378575 /nfs/dbraw/zinc/37/85/75/402378575.db2.gz WMUUZFRGIDXISQ-FUHWJXTLSA-N 1 3 303.450 2.316 20 0 DEADHO COc1cccc([C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)c1 ZINC000177206837 402381485 /nfs/dbraw/zinc/38/14/85/402381485.db2.gz CTIRUQKVYPGJCD-HNNXBMFYSA-N 1 3 305.466 2.372 20 0 DEADHO CCCC[C@H](N)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000236770572 402381836 /nfs/dbraw/zinc/38/18/36/402381836.db2.gz BUCHBOZHLYAAEN-IRXDYDNUSA-N 1 3 309.498 2.474 20 0 DEADHO CN(C)CCOc1ccc(NC(=O)C(C)(C)C[NH3+])cc1Cl ZINC000237183908 402398153 /nfs/dbraw/zinc/39/81/53/402398153.db2.gz RBXDWKZDLNFIPM-UHFFFAOYSA-N 1 3 313.829 2.204 20 0 DEADHO CC[C@H](N)C(=O)Nc1nc2ccccc2n1CC[NH+](CC)CC ZINC000163452979 402450142 /nfs/dbraw/zinc/45/01/42/402450142.db2.gz OVQIEURDURVDMB-ZDUSSCGKSA-N 1 3 317.437 2.054 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@@]2(C)CCCCN2)C1 ZINC000237546151 402412076 /nfs/dbraw/zinc/41/20/76/402412076.db2.gz WPECOAUYTLVROO-IIDMSEBBSA-N 1 3 309.498 2.391 20 0 DEADHO CN(C)Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000177544243 402414218 /nfs/dbraw/zinc/41/42/18/402414218.db2.gz JLOYVUIWRKVYAC-IAGOWNOFSA-N 1 3 303.450 2.351 20 0 DEADHO [NH3+]Cc1ccc(C(=O)N2CCN(CC3CCCCC3)CC2)cc1 ZINC000237951289 402427534 /nfs/dbraw/zinc/42/75/34/402427534.db2.gz HKWZEGYTZVHHHB-UHFFFAOYSA-N 1 3 315.461 2.483 20 0 DEADHO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000237960575 402428521 /nfs/dbraw/zinc/42/85/21/402428521.db2.gz YADNVTTZOPABNW-SOUVJXGZSA-N 1 3 321.490 2.204 20 0 DEADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000237989192 402430670 /nfs/dbraw/zinc/43/06/70/402430670.db2.gz AUOKSUDLKIVXKA-QZTJIDSGSA-N 1 3 315.461 2.299 20 0 DEADHO [NH3+]Cc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1 ZINC000186488444 402435529 /nfs/dbraw/zinc/43/55/29/402435529.db2.gz RGGWMAKGOWWFKR-UHFFFAOYSA-N 1 3 324.428 2.187 20 0 DEADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(C[NH3+])cc1 ZINC000186489694 402435678 /nfs/dbraw/zinc/43/56/78/402435678.db2.gz ZKAWZXLCJQZWDD-HNNXBMFYSA-N 1 3 311.429 2.396 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000245201617 402452009 /nfs/dbraw/zinc/45/20/09/402452009.db2.gz KVJMSEARNKVUNX-ALYAQQCSSA-N 1 3 309.498 2.484 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000245201617 402452011 /nfs/dbraw/zinc/45/20/11/402452011.db2.gz KVJMSEARNKVUNX-ALYAQQCSSA-N 1 3 309.498 2.484 20 0 DEADHO C[NH2+]C[C@@H](C)CNC(=O)c1oc2ccccc2c1CN(C)C ZINC000237052784 402392664 /nfs/dbraw/zinc/39/26/64/402392664.db2.gz LCHKAYPDXCGXKI-GFCCVEGCSA-N 1 3 303.406 2.080 20 0 DEADHO C[NH2+]C[C@@H](C)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000163577263 402452718 /nfs/dbraw/zinc/45/27/18/402452718.db2.gz SBOWYSZJUNLFJX-HUUCEWRRSA-N 1 3 323.506 2.493 20 0 DEADHO CCC[NH+]1CCC(N[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000164496041 402463602 /nfs/dbraw/zinc/46/36/02/402463602.db2.gz YPILRXCZAQDIQC-HNNXBMFYSA-N 1 3 311.470 2.460 20 0 DEADHO Cc1ccccc1CN1CCC(NC(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000164547869 402464432 /nfs/dbraw/zinc/46/44/32/402464432.db2.gz PKQCJBIHHJWPOU-GOSISDBHSA-N 1 3 315.461 2.218 20 0 DEADHO C[C@H](N)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000164847235 402469501 /nfs/dbraw/zinc/46/95/01/402469501.db2.gz HTNHTSCUFQRWDE-KKUMJFAQSA-N 1 3 303.450 2.128 20 0 DEADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245565199 402471411 /nfs/dbraw/zinc/47/14/11/402471411.db2.gz DQTFGROHWXFQJH-CABCVRRESA-N 1 3 303.454 2.346 20 0 DEADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245565199 402471412 /nfs/dbraw/zinc/47/14/12/402471412.db2.gz DQTFGROHWXFQJH-CABCVRRESA-N 1 3 303.454 2.346 20 0 DEADHO C[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)[C@H](N)c1ccccc1 ZINC000165322296 402475164 /nfs/dbraw/zinc/47/51/64/402475164.db2.gz OFUQFIQDEOAXDG-INMHGKMJSA-N 1 3 303.450 2.123 20 0 DEADHO C[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)[C@H](N)c1ccccc1 ZINC000165322296 402475167 /nfs/dbraw/zinc/47/51/67/402475167.db2.gz OFUQFIQDEOAXDG-INMHGKMJSA-N 1 3 303.450 2.123 20 0 DEADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccc2c(c1)OCCO2 ZINC000166002399 402480379 /nfs/dbraw/zinc/48/03/79/402480379.db2.gz KIKBMQSAHVUGPE-ZBFHGGJFSA-N 1 3 322.449 2.465 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000166212753 402482715 /nfs/dbraw/zinc/48/27/15/402482715.db2.gz JDNOSXHWAPPOKH-BBRMVZONSA-N 1 3 323.506 2.450 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000245876140 402493333 /nfs/dbraw/zinc/49/33/33/402493333.db2.gz IEYGRBWKHYVAGD-VQHPVUNQSA-N 1 3 322.497 2.127 20 0 DEADHO CCC[C@H](N)C(=O)NC1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000169121426 402500874 /nfs/dbraw/zinc/50/08/74/402500874.db2.gz RTWXAFHWLNNHEB-HZSIZEEPSA-N 1 3 317.477 2.387 20 0 DEADHO CCC[C@H](N)C(=O)NC1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000169121426 402500877 /nfs/dbraw/zinc/50/08/77/402500877.db2.gz RTWXAFHWLNNHEB-HZSIZEEPSA-N 1 3 317.477 2.387 20 0 DEADHO C[C@@H](O)C[C@H]1CCCN1C[C@H](C)C[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000246798593 402545303 /nfs/dbraw/zinc/54/53/03/402545303.db2.gz SPJFSNYRMHMQSK-IJTOGUNISA-N 1 3 312.498 2.093 20 0 DEADHO C[C@@H](O)C[C@H]1CCCN1C[C@H](C)C[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000246798593 402545306 /nfs/dbraw/zinc/54/53/06/402545306.db2.gz SPJFSNYRMHMQSK-IJTOGUNISA-N 1 3 312.498 2.093 20 0 DEADHO C[C@@H](O)C[C@H]1CCC[N@H+]1C[C@H](C)CN1CCC[C@H]1C[C@H](C)O ZINC000246798593 402545307 /nfs/dbraw/zinc/54/53/07/402545307.db2.gz SPJFSNYRMHMQSK-IJTOGUNISA-N 1 3 312.498 2.093 20 0 DEADHO C[C@@H](O)C[C@H]1CCC[N@@H+]1C[C@H](C)CN1CCC[C@H]1C[C@H](C)O ZINC000246798593 402545310 /nfs/dbraw/zinc/54/53/10/402545310.db2.gz SPJFSNYRMHMQSK-IJTOGUNISA-N 1 3 312.498 2.093 20 0 DEADHO O=C(CC1CCCCC1)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000178971352 402560580 /nfs/dbraw/zinc/56/05/80/402560580.db2.gz GQZRHHGHFXQBGT-UHFFFAOYSA-N 1 3 307.482 2.101 20 0 DEADHO Cc1cccc(NC(=O)N2CCN(CC3CC[NH2+]CC3)CC2)c1 ZINC000178970984 402560731 /nfs/dbraw/zinc/56/07/31/402560731.db2.gz BYQHIUPHEZINAW-UHFFFAOYSA-N 1 3 316.449 2.144 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]CCN2CCCCC2)[C@@H](C)C1 ZINC000247242866 402561348 /nfs/dbraw/zinc/56/13/48/402561348.db2.gz ZBYDNBCHCTUBCH-ZWKOTPCHSA-N 1 3 311.514 2.199 20 0 DEADHO CCOCCC[N@@H+]1CC[C@@H](NCCN2CCCCC2)[C@@H](C)C1 ZINC000247242866 402561349 /nfs/dbraw/zinc/56/13/49/402561349.db2.gz ZBYDNBCHCTUBCH-ZWKOTPCHSA-N 1 3 311.514 2.199 20 0 DEADHO CCOCCC[N@H+]1CC[C@@H](NCCN2CCCCC2)[C@@H](C)C1 ZINC000247242866 402561351 /nfs/dbraw/zinc/56/13/51/402561351.db2.gz ZBYDNBCHCTUBCH-ZWKOTPCHSA-N 1 3 311.514 2.199 20 0 DEADHO CC(C)C[C@H](N)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000178671115 402524514 /nfs/dbraw/zinc/52/45/14/402524514.db2.gz QRUCBJBABGWSKV-KRWDZBQOSA-N 1 3 303.450 2.272 20 0 DEADHO CC[C@@H](C)[C@@H](N)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000178689200 402526947 /nfs/dbraw/zinc/52/69/47/402526947.db2.gz OMZJOJVPCFOLOK-CRAIPNDOSA-N 1 3 317.477 2.183 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC=CCC1 ZINC000246384234 402527903 /nfs/dbraw/zinc/52/79/03/402527903.db2.gz QTKHYDNJRMLARB-IAGOWNOFSA-N 1 3 322.497 2.153 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC=CCC1 ZINC000246384234 402527905 /nfs/dbraw/zinc/52/79/05/402527905.db2.gz QTKHYDNJRMLARB-IAGOWNOFSA-N 1 3 322.497 2.153 20 0 DEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H](CN)c1ccccc1 ZINC000178704963 402528281 /nfs/dbraw/zinc/52/82/81/402528281.db2.gz KHKAFJHKIYNGCS-WMZOPIPTSA-N 1 3 317.477 2.500 20 0 DEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H](CN)c1ccccc1 ZINC000178704963 402528284 /nfs/dbraw/zinc/52/82/84/402528284.db2.gz KHKAFJHKIYNGCS-WMZOPIPTSA-N 1 3 317.477 2.500 20 0 DEADHO C[C@H]1CCCN(CCNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000246396533 402529030 /nfs/dbraw/zinc/52/90/30/402529030.db2.gz RHRDAXMEVQNFFQ-DLBZAZTESA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H]1CCCN(CCNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000246396533 402529033 /nfs/dbraw/zinc/52/90/33/402529033.db2.gz RHRDAXMEVQNFFQ-DLBZAZTESA-N 1 3 324.513 2.234 20 0 DEADHO C[NH2+]CCCC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000178733657 402532282 /nfs/dbraw/zinc/53/22/82/402532282.db2.gz PHAZAUQAJSFUOL-CQSZACIVSA-N 1 3 309.479 2.076 20 0 DEADHO CC[N@@H+]1CC[C@@H](N(C)C[C@H](O)COCc2ccccc2)[C@@H](C)C1 ZINC000246506899 402534487 /nfs/dbraw/zinc/53/44/87/402534487.db2.gz IAHKKXHDENWOOU-YTQUADARSA-N 1 3 320.477 2.226 20 0 DEADHO CC[N@H+]1CC[C@@H](N(C)C[C@H](O)COCc2ccccc2)[C@@H](C)C1 ZINC000246506899 402534489 /nfs/dbraw/zinc/53/44/89/402534489.db2.gz IAHKKXHDENWOOU-YTQUADARSA-N 1 3 320.477 2.226 20 0 DEADHO CCCN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000171435853 402587036 /nfs/dbraw/zinc/58/70/36/402587036.db2.gz MKWVEFKQQXRQNW-UHFFFAOYSA-N 1 3 322.497 2.129 20 0 DEADHO CC[N@@H+]1CC[C@H](NCCN2CCc3ccccc3C2)[C@@H](C)C1 ZINC000247886351 402577305 /nfs/dbraw/zinc/57/73/05/402577305.db2.gz DCMYGVYXAFVPSJ-LPHOPBHVSA-N 1 3 301.478 2.365 20 0 DEADHO CC[N@H+]1CC[C@H](NCCN2CCc3ccccc3C2)[C@@H](C)C1 ZINC000247886351 402577307 /nfs/dbraw/zinc/57/73/07/402577307.db2.gz DCMYGVYXAFVPSJ-LPHOPBHVSA-N 1 3 301.478 2.365 20 0 DEADHO C[C@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])N(C)Cc1ccccc1 ZINC000261819530 402717782 /nfs/dbraw/zinc/71/77/82/402717782.db2.gz SMQRSPMRZVDIOU-HYVNUMGLSA-N 1 3 303.450 2.141 20 0 DEADHO CC(C)[NH+](CCNC(=O)N1CCC[C@H]2CN(C)CC[C@H]21)C(C)C ZINC000182190304 402671008 /nfs/dbraw/zinc/67/10/08/402671008.db2.gz RIKRSORHOCVFQF-DLBZAZTESA-N 1 3 324.513 2.231 20 0 DEADHO Cc1cc(CN2CCCC[C@H]2CNC(=O)CC[NH3+])c(C)s1 ZINC000261952999 402720204 /nfs/dbraw/zinc/72/02/04/402720204.db2.gz GGJXCQOQGZMJDN-HNNXBMFYSA-N 1 3 309.479 2.184 20 0 DEADHO C[C@@H](C[NH3+])C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000262509507 402726880 /nfs/dbraw/zinc/72/68/80/402726880.db2.gz JKQZBMPLDGVEHJ-WMLDXEAASA-N 1 3 317.477 2.170 20 0 DEADHO CSCC[C@H](N)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000262766468 402730451 /nfs/dbraw/zinc/73/04/51/402730451.db2.gz HLPMIFZALRNQRU-JKSUJKDBSA-N 1 3 317.458 2.036 20 0 DEADHO C[C@H](C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)N1CCCCCC1 ZINC000174319211 402736586 /nfs/dbraw/zinc/73/65/86/402736586.db2.gz AGFZNSVLBXHSRK-IAGOWNOFSA-N 1 3 307.482 2.195 20 0 DEADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C[C@H](N)c1ccccc1 ZINC000262959778 402738616 /nfs/dbraw/zinc/73/86/16/402738616.db2.gz WLWCKKHXAIQCIS-SJORKVTESA-N 1 3 303.450 2.409 20 0 DEADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C[C@H](N)c1ccccc1 ZINC000262959778 402738618 /nfs/dbraw/zinc/73/86/18/402738618.db2.gz WLWCKKHXAIQCIS-SJORKVTESA-N 1 3 303.450 2.409 20 0 DEADHO CN(CCNC(=O)[C@H]1CCCC[C@]1(C)[NH3+])Cc1ccccc1 ZINC000263017033 402741329 /nfs/dbraw/zinc/74/13/29/402741329.db2.gz QLEFCFHRJQQEAM-AEFFLSMTSA-N 1 3 303.450 2.142 20 0 DEADHO O=C(NCCN1CCCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000194037010 402782130 /nfs/dbraw/zinc/78/21/30/402782130.db2.gz OARCABCLGPMFFU-SFHVURJKSA-N 1 3 315.461 2.111 20 0 DEADHO O=C(NCCN1CCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000194037010 402782132 /nfs/dbraw/zinc/78/21/32/402782132.db2.gz OARCABCLGPMFFU-SFHVURJKSA-N 1 3 315.461 2.111 20 0 DEADHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1cncc(F)c1 ZINC000271457426 402873190 /nfs/dbraw/zinc/87/31/90/402873190.db2.gz FOERRWVGWJTMTE-ZLIFDBKOSA-N 1 3 307.413 2.249 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)/C=C/C[NH+](C)C ZINC000265871531 402958108 /nfs/dbraw/zinc/95/81/08/402958108.db2.gz JFISAEHNNUQJIP-VDZSZVPASA-N 1 3 315.461 2.227 20 0 DEADHO CN(C)CCNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000272399521 402931842 /nfs/dbraw/zinc/93/18/42/402931842.db2.gz WRONHHUNEOQKMV-UHFFFAOYSA-N 1 3 318.465 2.398 20 0 DEADHO COc1coc(C[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)cc1=O ZINC000273306699 402992906 /nfs/dbraw/zinc/99/29/06/402992906.db2.gz SPCQIRZCPSIVQE-KGLIPLIRSA-N 1 3 320.433 2.391 20 0 DEADHO [NH3+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000281934851 403105922 /nfs/dbraw/zinc/10/59/22/403105922.db2.gz KRLLEZICBQGERU-ROUUACIJSA-N 1 3 315.461 2.238 20 0 DEADHO COCC[N@H+](C)CCCN[C@H](C)c1ccc(OC)c(COC)c1 ZINC000268788929 403114137 /nfs/dbraw/zinc/11/41/37/403114137.db2.gz CLBNWVVFZSPNDZ-OAHLLOKOSA-N 1 3 324.465 2.461 20 0 DEADHO COCC[N@@H+](C)CCCN[C@H](C)c1ccc(OC)c(COC)c1 ZINC000268788929 403114139 /nfs/dbraw/zinc/11/41/39/403114139.db2.gz CLBNWVVFZSPNDZ-OAHLLOKOSA-N 1 3 324.465 2.461 20 0 DEADHO C[C@@H](NCC1([S@](C)=O)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000282146007 403127074 /nfs/dbraw/zinc/12/70/74/403127074.db2.gz CJZUULKFPNXRAP-PEBXRYMYSA-N 1 3 324.490 2.189 20 0 DEADHO C[C@@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)CC[C@@H]1[NH3+] ZINC000269287244 403128316 /nfs/dbraw/zinc/12/83/16/403128316.db2.gz SQCWOUKJVDKPMW-PBHICJAKSA-N 1 3 301.434 2.092 20 0 DEADHO COc1ccsc1[C@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282371785 403147429 /nfs/dbraw/zinc/14/74/29/403147429.db2.gz QIIOTSNCTPNOCS-ZDUSSCGKSA-N 1 3 311.495 2.433 20 0 DEADHO C[C@H]([NH3+])CCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000277428626 403216674 /nfs/dbraw/zinc/21/66/74/403216674.db2.gz BWWYLDKFJKUIBP-VYDXJSESSA-N 1 3 303.450 2.141 20 0 DEADHO c1ccc(C[N@H+]2CC[C@@]3(CCN(CCC4OCCO4)C3)C2)cc1 ZINC000285704480 403360904 /nfs/dbraw/zinc/36/09/04/403360904.db2.gz WBVPOYRITHOFPW-LJQANCHMSA-N 1 3 316.445 2.347 20 0 DEADHO c1ccc(C[N@@H+]2CC[C@@]3(CCN(CCC4OCCO4)C3)C2)cc1 ZINC000285704480 403360908 /nfs/dbraw/zinc/36/09/08/403360908.db2.gz WBVPOYRITHOFPW-LJQANCHMSA-N 1 3 316.445 2.347 20 0 DEADHO COC1(CC[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)CCC1 ZINC000339058438 403338386 /nfs/dbraw/zinc/33/83/86/403338386.db2.gz MGKJUQKQTQBZTG-UHFFFAOYSA-N 1 3 323.525 2.436 20 0 DEADHO CC(=O)Nc1cccc(OCCNC2CC[NH+](C3CC3)CC2)c1 ZINC000298589861 403419968 /nfs/dbraw/zinc/41/99/68/403419968.db2.gz YKYJHDFJGGDCAM-UHFFFAOYSA-N 1 3 317.433 2.240 20 0 DEADHO Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c1 ZINC000332229043 403522392 /nfs/dbraw/zinc/52/23/92/403522392.db2.gz CYIMZZDEYPEIFI-GOEBONIOSA-N 1 3 302.422 2.012 20 0 DEADHO CC[NH+](CC)C[C@H](C)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000339937658 403498419 /nfs/dbraw/zinc/49/84/19/403498419.db2.gz UEHOXUOPRZOFDM-HNNXBMFYSA-N 1 3 320.481 2.278 20 0 DEADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000339988186 403517765 /nfs/dbraw/zinc/51/77/65/403517765.db2.gz QTGSANBMVTWSAA-JKSUJKDBSA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)NC(=O)CCN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340175078 403571362 /nfs/dbraw/zinc/57/13/62/403571362.db2.gz WXSCRTISBOWCOE-DLBZAZTESA-N 1 3 303.450 2.326 20 0 DEADHO CC(C)NC(=O)CCN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340175078 403571366 /nfs/dbraw/zinc/57/13/66/403571366.db2.gz WXSCRTISBOWCOE-DLBZAZTESA-N 1 3 303.450 2.326 20 0 DEADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000340896280 403688941 /nfs/dbraw/zinc/68/89/41/403688941.db2.gz IVWLMPICQOPGNM-NXHRZFHOSA-N 1 3 315.461 2.137 20 0 DEADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000340896280 403688944 /nfs/dbraw/zinc/68/89/44/403688944.db2.gz IVWLMPICQOPGNM-NXHRZFHOSA-N 1 3 315.461 2.137 20 0 DEADHO CSc1ccc([C@H](CNC(=O)C[N@H+](C)C(C)C)N(C)C)cc1 ZINC000294309869 403699736 /nfs/dbraw/zinc/69/97/36/403699736.db2.gz IDKRSAKMLUUDTM-INIZCTEOSA-N 1 3 323.506 2.468 20 0 DEADHO CSc1ccc([C@H](CNC(=O)C[N@@H+](C)C(C)C)N(C)C)cc1 ZINC000294309869 403699740 /nfs/dbraw/zinc/69/97/40/403699740.db2.gz IDKRSAKMLUUDTM-INIZCTEOSA-N 1 3 323.506 2.468 20 0 DEADHO C[C@@H](CNC(=O)N[C@@H]1CCN(C)[C@H](C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000340935088 403704461 /nfs/dbraw/zinc/70/44/61/403704461.db2.gz HCJIMRBFFVLHOU-XUWVNRHRSA-N 1 3 310.486 2.031 20 0 DEADHO C[C@@H](CNC(=O)N[C@@H]1CCN(C)[C@H](C)C1)[N@H+]1CCCC[C@@H]1C ZINC000340935088 403704465 /nfs/dbraw/zinc/70/44/65/403704465.db2.gz HCJIMRBFFVLHOU-XUWVNRHRSA-N 1 3 310.486 2.031 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCCN1C ZINC000343861636 403764774 /nfs/dbraw/zinc/76/47/74/403764774.db2.gz GRTILKZATJPDSD-PVAVHDDUSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCCN1C ZINC000343861636 403764776 /nfs/dbraw/zinc/76/47/76/403764776.db2.gz GRTILKZATJPDSD-PVAVHDDUSA-N 1 3 322.497 2.033 20 0 DEADHO Cc1cncc([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)c1 ZINC000343870117 403769233 /nfs/dbraw/zinc/76/92/33/403769233.db2.gz XMOBHXQXBNASGY-JCGIZDLHSA-N 1 3 303.450 2.418 20 0 DEADHO O=C(c1ccc2c(c1)CNC2)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000347561261 403752133 /nfs/dbraw/zinc/75/21/33/403752133.db2.gz SGXDJHKZIOYFGF-OAHLLOKOSA-N 1 3 313.445 2.238 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CCN1C ZINC000341177211 403808847 /nfs/dbraw/zinc/80/88/47/403808847.db2.gz JRVMJSDEALWYHC-RBSFLKMASA-N 1 3 312.502 2.135 20 0 DEADHO Cc1ccc(C)c(OC[C@@H](O)CN2CCC(C[NH+](C)C)CC2)c1 ZINC000341181866 403810451 /nfs/dbraw/zinc/81/04/51/403810451.db2.gz FYPSLIBTVSUYMQ-SFHVURJKSA-N 1 3 320.477 2.317 20 0 DEADHO COc1ccc([C@H](C)[NH2+]C[C@H](O)CN2CCC(C)CC2)cc1 ZINC000305109621 403836592 /nfs/dbraw/zinc/83/65/92/403836592.db2.gz FFHYZVARYSYUET-RDJZCZTQSA-N 1 3 306.450 2.439 20 0 DEADHO C[C@H](NC1CC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000295287737 403832462 /nfs/dbraw/zinc/83/24/62/403832462.db2.gz WVIHOUFPBIDSQN-VKJFTORMSA-N 1 3 315.461 2.154 20 0 DEADHO C[C@H](NC1CC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000295287737 403832469 /nfs/dbraw/zinc/83/24/69/403832469.db2.gz WVIHOUFPBIDSQN-VKJFTORMSA-N 1 3 315.461 2.154 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000341110205 403778035 /nfs/dbraw/zinc/77/80/35/403778035.db2.gz VCXRFBDFTNQKCL-GVDBMIGSSA-N 1 3 324.513 2.423 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000341110205 403778039 /nfs/dbraw/zinc/77/80/39/403778039.db2.gz VCXRFBDFTNQKCL-GVDBMIGSSA-N 1 3 324.513 2.423 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343906502 403785617 /nfs/dbraw/zinc/78/56/17/403785617.db2.gz MKYGPWSUJLNLGG-BRWVUGGUSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343906502 403785621 /nfs/dbraw/zinc/78/56/21/403785621.db2.gz MKYGPWSUJLNLGG-BRWVUGGUSA-N 1 3 324.513 2.279 20 0 DEADHO COc1ccc(C)cc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000341153914 403798015 /nfs/dbraw/zinc/79/80/15/403798015.db2.gz DBYQVIAITWKKRW-UHFFFAOYSA-N 1 3 319.493 2.461 20 0 DEADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000347752098 403845461 /nfs/dbraw/zinc/84/54/61/403845461.db2.gz MRUHGQZMMALSBI-DLBZAZTESA-N 1 3 324.513 2.234 20 0 DEADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2cncs2)[C@@H](C)C1 ZINC000411550724 403891444 /nfs/dbraw/zinc/89/14/44/403891444.db2.gz LJSBYQPHQWUYJF-GOEBONIOSA-N 1 3 311.495 2.412 20 0 DEADHO CCOCCC[N@H+]1CC[C@@H](NCCc2cncs2)[C@@H](C)C1 ZINC000411550724 403891454 /nfs/dbraw/zinc/89/14/54/403891454.db2.gz LJSBYQPHQWUYJF-GOEBONIOSA-N 1 3 311.495 2.412 20 0 DEADHO CC[C@H](C)[N@H+](C)CCNC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000351849587 403960093 /nfs/dbraw/zinc/96/00/93/403960093.db2.gz PGOUUFPTVPDPBT-GJZGRUSLSA-N 1 3 312.502 2.088 20 0 DEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000351849587 403960101 /nfs/dbraw/zinc/96/01/01/403960101.db2.gz PGOUUFPTVPDPBT-GJZGRUSLSA-N 1 3 312.502 2.088 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@]1(CO)C[C@H]1c1ccccc1 ZINC000289782652 403998498 /nfs/dbraw/zinc/99/84/98/403998498.db2.gz MUKOGSNTMWCRJV-PTGCCPEKSA-N 1 3 302.462 2.471 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@]1(CO)C[C@H]1c1ccccc1 ZINC000289782652 403998501 /nfs/dbraw/zinc/99/85/01/403998501.db2.gz MUKOGSNTMWCRJV-PTGCCPEKSA-N 1 3 302.462 2.471 20 0 DEADHO CN(C)C(=O)CC[NH+]1CCC(N[C@@H]2CCc3ccccc32)CC1 ZINC000348015486 404005822 /nfs/dbraw/zinc/00/58/22/404005822.db2.gz XVKSNUCKACGVTN-GOSISDBHSA-N 1 3 315.461 2.206 20 0 DEADHO C[NH+](C)C1(CNC(=O)N2CC[C@H](N3CCCCC3)C2)CCCC1 ZINC000341459180 403977505 /nfs/dbraw/zinc/97/75/05/403977505.db2.gz RUGQVAKGHCTJJS-INIZCTEOSA-N 1 3 322.497 2.131 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000320586790 404067434 /nfs/dbraw/zinc/06/74/34/404067434.db2.gz BQOQGVGOHLTBCM-SJLPKXTDSA-N 1 3 318.461 2.117 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)CNC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000320586790 404067437 /nfs/dbraw/zinc/06/74/37/404067437.db2.gz BQOQGVGOHLTBCM-SJLPKXTDSA-N 1 3 318.461 2.117 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)CNC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000320586790 404067440 /nfs/dbraw/zinc/06/74/40/404067440.db2.gz BQOQGVGOHLTBCM-SJLPKXTDSA-N 1 3 318.461 2.117 20 0 DEADHO C[NH+](C)C1(CNC(=O)[C@@H]2CNCc3ccccc32)CCCCC1 ZINC000321013497 404070292 /nfs/dbraw/zinc/07/02/92/404070292.db2.gz OMOAKDJETQGPGK-QGZVFWFLSA-N 1 3 315.461 2.254 20 0 DEADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000290264632 404105248 /nfs/dbraw/zinc/10/52/48/404105248.db2.gz VPDIUMLDGMLISU-SJORKVTESA-N 1 3 319.449 2.200 20 0 DEADHO COC1(C[N@@H+]2CCN(C3CCN(C)CC3)[C@@H](C)C2)CCCCC1 ZINC000349310321 404149340 /nfs/dbraw/zinc/14/93/40/404149340.db2.gz BAAQXXLSCBENIG-KRWDZBQOSA-N 1 3 323.525 2.436 20 0 DEADHO COC1(C[N@H+]2CCN(C3CCN(C)CC3)[C@@H](C)C2)CCCCC1 ZINC000349310321 404149345 /nfs/dbraw/zinc/14/93/45/404149345.db2.gz BAAQXXLSCBENIG-KRWDZBQOSA-N 1 3 323.525 2.436 20 0 DEADHO CC[C@@H]1C[C@H](C[N@@H+]2CCN(C3CCN(C)CC3)[C@H](C)C2)CCO1 ZINC000349331339 404150781 /nfs/dbraw/zinc/15/07/81/404150781.db2.gz LIXIWNBHSJGYDF-ZHALLVOQSA-N 1 3 323.525 2.292 20 0 DEADHO CC[C@@H]1C[C@H](C[N@H+]2CCN(C3CCN(C)CC3)[C@H](C)C2)CCO1 ZINC000349331339 404150782 /nfs/dbraw/zinc/15/07/82/404150782.db2.gz LIXIWNBHSJGYDF-ZHALLVOQSA-N 1 3 323.525 2.292 20 0 DEADHO CCS(=O)(=O)C[C@@H](C)[NH2+]CCCCN1CCCC[C@H]1C ZINC000341756531 404154053 /nfs/dbraw/zinc/15/40/53/404154053.db2.gz DVSLAAITUHCVHM-HUUCEWRRSA-N 1 3 304.500 2.054 20 0 DEADHO c1nnc(C2CC2)n1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000567344003 292306887 /nfs/dbraw/zinc/30/68/87/292306887.db2.gz PDLTYOFGFOVYTH-OWCLPIDISA-N 1 3 303.454 2.056 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N(C)C1CCCC1 ZINC000337809336 404254176 /nfs/dbraw/zinc/25/41/76/404254176.db2.gz LBMPTYNEEVDUOY-QGZVFWFLSA-N 1 3 324.513 2.329 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N(C)C1CCCC1 ZINC000337809336 404254187 /nfs/dbraw/zinc/25/41/87/404254187.db2.gz LBMPTYNEEVDUOY-QGZVFWFLSA-N 1 3 324.513 2.329 20 0 DEADHO CN(C)CCN(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000363937047 404258084 /nfs/dbraw/zinc/25/80/84/404258084.db2.gz JEEIJGHVPIGTAX-NVXWUHKLSA-N 1 3 322.497 2.129 20 0 DEADHO CN(C)CCN(C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000363937047 404258089 /nfs/dbraw/zinc/25/80/89/404258089.db2.gz JEEIJGHVPIGTAX-NVXWUHKLSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H](CC1CCOCC1)CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000349961331 404274972 /nfs/dbraw/zinc/27/49/72/404274972.db2.gz GJQRMMDBMBNYCP-GOSISDBHSA-N 1 3 323.525 2.153 20 0 DEADHO C[C@H](CC1CCOCC1)C[NH+]1CCC(OCCN(C)C)CC1 ZINC000349972883 404279661 /nfs/dbraw/zinc/27/96/61/404279661.db2.gz UJTURQPXKGJJPF-MRXNPFEDSA-N 1 3 312.498 2.482 20 0 DEADHO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000414180454 296703487 /nfs/dbraw/zinc/70/34/87/296703487.db2.gz BCHLDHDOOGTRBK-SQNIBIBYSA-N 1 3 323.525 2.197 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000344729521 404334864 /nfs/dbraw/zinc/33/48/64/404334864.db2.gz MZZYLVMUDFJLDM-ARFHVFGLSA-N 1 3 307.482 2.192 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000344729521 404334869 /nfs/dbraw/zinc/33/48/69/404334869.db2.gz MZZYLVMUDFJLDM-ARFHVFGLSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)CCO[C@@H]1CCCC[C@H]1NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000352365196 404318376 /nfs/dbraw/zinc/31/83/76/404318376.db2.gz OLKSKARGRPFRSP-KZNAEPCWSA-N 1 3 312.498 2.405 20 0 DEADHO CC(C)CCO[C@@H]1CCCC[C@H]1NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000352365196 404318383 /nfs/dbraw/zinc/31/83/83/404318383.db2.gz OLKSKARGRPFRSP-KZNAEPCWSA-N 1 3 312.498 2.405 20 0 DEADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]C1CCN(C(N)=O)CC1 ZINC000344773639 404360318 /nfs/dbraw/zinc/36/03/18/404360318.db2.gz PBMRHGNBRYUYGU-GDBMZVCRSA-N 1 3 310.486 2.020 20 0 DEADHO CC[C@@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)N(CC)CC ZINC000344711855 404323859 /nfs/dbraw/zinc/32/38/59/404323859.db2.gz OGZOWTVASPZMAE-RDJZCZTQSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)N(CC)CC ZINC000344711855 404323864 /nfs/dbraw/zinc/32/38/64/404323864.db2.gz OGZOWTVASPZMAE-RDJZCZTQSA-N 1 3 309.498 2.440 20 0 DEADHO CC[NH+](CC)CCOCCNCc1cc2ccccc2[nH]c1=O ZINC000350320391 404367371 /nfs/dbraw/zinc/36/73/71/404367371.db2.gz QEYQVWCQWABYKU-UHFFFAOYSA-N 1 3 317.433 2.388 20 0 DEADHO COC(=O)c1cc(C[NH2+]CC2(CN(C)C)CCCC2)n(C)c1C ZINC000291017771 404371682 /nfs/dbraw/zinc/37/16/82/404371682.db2.gz GDTDSMSCGMVBEK-UHFFFAOYSA-N 1 3 321.465 2.332 20 0 DEADHO [NH3+][C@@H]1CCC[C@H]2CN(CCOCCOc3ccccc3)C[C@@H]21 ZINC000342151327 404404654 /nfs/dbraw/zinc/40/46/54/404404654.db2.gz XQDXTCDJBZZLDB-RYQLBKOJSA-N 1 3 304.434 2.141 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000342189614 404430854 /nfs/dbraw/zinc/43/08/54/404430854.db2.gz ZQZKNCANXHOMHT-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1[C@H](C)CC[C@@H]1C ZINC000342464884 404596295 /nfs/dbraw/zinc/59/62/95/404596295.db2.gz PBSLMQOMKBYFMM-QHKQPCLISA-N 1 3 307.482 2.331 20 0 DEADHO C[C@@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1[C@H](C)CC[C@@H]1C ZINC000342464884 404596301 /nfs/dbraw/zinc/59/63/01/404596301.db2.gz PBSLMQOMKBYFMM-QHKQPCLISA-N 1 3 307.482 2.331 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2cnc(N(C)C)n2C)C1 ZINC000414292636 404569117 /nfs/dbraw/zinc/56/91/17/404569117.db2.gz UYKLCYMUOBGPHT-IYBDPMFKSA-N 1 3 321.513 2.334 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2cnc(N(C)C)n2C)C1 ZINC000414292636 404569122 /nfs/dbraw/zinc/56/91/22/404569122.db2.gz UYKLCYMUOBGPHT-IYBDPMFKSA-N 1 3 321.513 2.334 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccncc3)CC2)CN1C1CC1 ZINC000297806086 404629044 /nfs/dbraw/zinc/62/90/44/404629044.db2.gz XUXBIQPWCHRNRH-ZBFHGGJFSA-N 1 3 300.450 2.265 20 0 DEADHO CN(C)Cc1cccc(C(=O)N(C)CCC[NH+]2CCCC2)c1 ZINC000351540157 404634406 /nfs/dbraw/zinc/63/44/06/404634406.db2.gz DOSHHIQGOVGKRR-UHFFFAOYSA-N 1 3 303.450 2.306 20 0 DEADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H](CO)[C@H]3CCCOC3)CC2)C1 ZINC000414555757 404677949 /nfs/dbraw/zinc/67/79/49/404677949.db2.gz MKAUJIJRWQCZEU-KCITZHQASA-N 1 3 324.509 2.407 20 0 DEADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H](CO)[C@H]3CCCOC3)CC2)C1 ZINC000414555757 404677950 /nfs/dbraw/zinc/67/79/50/404677950.db2.gz MKAUJIJRWQCZEU-KCITZHQASA-N 1 3 324.509 2.407 20 0 DEADHO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414561783 404682239 /nfs/dbraw/zinc/68/22/39/404682239.db2.gz ZTTWBNZPTIEQBS-RDTXWAMCSA-N 1 3 315.461 2.130 20 0 DEADHO CC(C)[N@@H+](Cc1cccs1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414675742 404706264 /nfs/dbraw/zinc/70/62/64/404706264.db2.gz MLTPGFINSNEVGM-CQSZACIVSA-N 1 3 309.479 2.156 20 0 DEADHO CC(C)[N@H+](Cc1cccs1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414675742 404706266 /nfs/dbraw/zinc/70/62/66/404706266.db2.gz MLTPGFINSNEVGM-CQSZACIVSA-N 1 3 309.479 2.156 20 0 DEADHO CCc1cccnc1[C@@H](C)[NH2+]CCCN1CCN(CC)CC1 ZINC000356845858 404706448 /nfs/dbraw/zinc/70/64/48/404706448.db2.gz IOMVUIILWCVOPG-MRXNPFEDSA-N 1 3 304.482 2.322 20 0 DEADHO CCC[C@H](C)NC(=O)[C@@H](C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374163273 404700097 /nfs/dbraw/zinc/70/00/97/404700097.db2.gz PDGBBUQKCLJQGT-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414679897 404707323 /nfs/dbraw/zinc/70/73/23/404707323.db2.gz SKGGDMQXKKRXKN-MRXNPFEDSA-N 1 3 321.440 2.233 20 0 DEADHO CC(C)[N@H+](Cc1ccc(F)cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414679897 404707326 /nfs/dbraw/zinc/70/73/26/404707326.db2.gz SKGGDMQXKKRXKN-MRXNPFEDSA-N 1 3 321.440 2.233 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1NCCc2ccccc21)[NH+](CC)CC ZINC000357236433 404731006 /nfs/dbraw/zinc/73/10/06/404731006.db2.gz CZEDWCBTMUYJLK-IAGOWNOFSA-N 1 3 303.450 2.110 20 0 DEADHO CCOC(=O)COc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000414795712 404737920 /nfs/dbraw/zinc/73/79/20/404737920.db2.gz GZFDPOXQEUDJQQ-WBVHZDCISA-N 1 3 320.433 2.236 20 0 DEADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000414839445 404746170 /nfs/dbraw/zinc/74/61/70/404746170.db2.gz XMKMIKZGAAPSJH-ZIAGYGMSSA-N 1 3 305.422 2.002 20 0 DEADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCNC2)cc1 ZINC000414839445 404746173 /nfs/dbraw/zinc/74/61/73/404746173.db2.gz XMKMIKZGAAPSJH-ZIAGYGMSSA-N 1 3 305.422 2.002 20 0 DEADHO C[C@@H](NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)C1=CCN(C)CC1 ZINC000358118893 404753816 /nfs/dbraw/zinc/75/38/16/404753816.db2.gz VLYRWHUYBSHSQZ-NVXWUHKLSA-N 1 3 322.497 2.153 20 0 DEADHO C[C@@H](NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)C1=CCN(C)CC1 ZINC000358118893 404753820 /nfs/dbraw/zinc/75/38/20/404753820.db2.gz VLYRWHUYBSHSQZ-NVXWUHKLSA-N 1 3 322.497 2.153 20 0 DEADHO C[C@@H](C[NH3+])CN[C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000414872014 404754058 /nfs/dbraw/zinc/75/40/58/404754058.db2.gz DWJNKCAATAPISJ-STQMWFEESA-N 1 3 311.857 2.261 20 0 DEADHO C[C@@H](CN)C[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000414872014 404754061 /nfs/dbraw/zinc/75/40/61/404754061.db2.gz DWJNKCAATAPISJ-STQMWFEESA-N 1 3 311.857 2.261 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000358179319 404755695 /nfs/dbraw/zinc/75/56/95/404755695.db2.gz ZMYGIPLJZUHYMB-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000358179319 404755700 /nfs/dbraw/zinc/75/57/00/404755700.db2.gz ZMYGIPLJZUHYMB-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO CC1(C)CCC[NH2+][C@H]1CNC1CCN(C(=O)c2ccoc2)CC1 ZINC000414926788 404768372 /nfs/dbraw/zinc/76/83/72/404768372.db2.gz KXPIWQPBVBRMFW-INIZCTEOSA-N 1 3 319.449 2.252 20 0 DEADHO COC(=O)c1ccc2c(c1)CN(C[C@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000414705652 404712939 /nfs/dbraw/zinc/71/29/39/404712939.db2.gz FVGFULXBUNMBCV-KGLIPLIRSA-N 1 3 302.418 2.219 20 0 DEADHO Cc1ccccc1CC(C)(C)[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000414710836 404714382 /nfs/dbraw/zinc/71/43/82/404714382.db2.gz QOEVZSGQANULIX-MRXNPFEDSA-N 1 3 317.477 2.103 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC(c3ccsc3)CC2)C1 ZINC000414736317 404720643 /nfs/dbraw/zinc/72/06/43/404720643.db2.gz GLVROWWZONWWSM-AWEZNQCLSA-N 1 3 321.490 2.125 20 0 DEADHO COc1cc2c(c(CN[C@@H]3C[C@H]3C3CC[NH2+]CC3)c1)O[C@@H](C)C2 ZINC000415003418 404785511 /nfs/dbraw/zinc/78/55/11/404785511.db2.gz FZZQUOBTFAOUDE-UYHISHBKSA-N 1 3 316.445 2.496 20 0 DEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@H](C1CC1)N1CCCC1 ZINC000359294170 404789201 /nfs/dbraw/zinc/78/92/01/404789201.db2.gz BEDQNXIITVPRGV-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC[C@H]1C[NH2+]CCCO1)CC3 ZINC000415033329 404792307 /nfs/dbraw/zinc/79/23/07/404792307.db2.gz GXVGMEPMSRCKQV-LSDHHAIUSA-N 1 3 313.445 2.302 20 0 DEADHO [NH3+]C[C@H]1CC[C@@H](NCc2cn(-c3ccc(F)cc3Cl)nn2)C1 ZINC000415048704 404795701 /nfs/dbraw/zinc/79/57/01/404795701.db2.gz XFMVKGWQWCSBTP-CMPLNLGQSA-N 1 3 323.803 2.277 20 0 DEADHO CCOC(=O)COc1ccc(CN2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000415054334 404797108 /nfs/dbraw/zinc/79/71/08/404797108.db2.gz LTOFOMCWBZSMFF-RDTXWAMCSA-N 1 3 320.433 2.045 20 0 DEADHO CCOC(=O)COc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)cc1 ZINC000415054334 404797112 /nfs/dbraw/zinc/79/71/12/404797112.db2.gz LTOFOMCWBZSMFF-RDTXWAMCSA-N 1 3 320.433 2.045 20 0 DEADHO CCOC(=O)COc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(CN)C2)cc1 ZINC000415054334 404797115 /nfs/dbraw/zinc/79/71/15/404797115.db2.gz LTOFOMCWBZSMFF-RDTXWAMCSA-N 1 3 320.433 2.045 20 0 DEADHO [NH3+]C1CCC(N[C@@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000415081930 404802783 /nfs/dbraw/zinc/80/27/83/404802783.db2.gz LJHFUKLKGZOIEP-ORHYLEIMSA-N 1 3 307.825 2.305 20 0 DEADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000415119573 404811586 /nfs/dbraw/zinc/81/15/86/404811586.db2.gz FRHQUZYHHVYQQH-PKOBYXMFSA-N 1 3 316.445 2.340 20 0 DEADHO CC[C@@](CNC[C@]1(C)CC[NH2+]C1)(C(=O)OC)c1ccccc1 ZINC000415132084 404814943 /nfs/dbraw/zinc/81/49/43/404814943.db2.gz ACRZZSXPLLRKJY-MSOLQXFVSA-N 1 3 304.434 2.097 20 0 DEADHO [NH3+]CC1(O)CCN(Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000415136721 404816349 /nfs/dbraw/zinc/81/63/49/404816349.db2.gz DEIKNHGTSLROTC-UHFFFAOYSA-N 1 3 304.365 2.371 20 0 DEADHO [NH3+]CC1(O)CCN(Cc2cccc(OC3CCCC3)c2)CC1 ZINC000415135727 404816506 /nfs/dbraw/zinc/81/65/06/404816506.db2.gz BLRWYNJCPWTOFY-UHFFFAOYSA-N 1 3 304.434 2.294 20 0 DEADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000353455879 404835116 /nfs/dbraw/zinc/83/51/16/404835116.db2.gz YQVCTUOJAKAQEI-DLBZAZTESA-N 1 3 307.482 2.099 20 0 DEADHO CSC1(CNCc2cnccc2N(C)C)CC[NH+](C)CC1 ZINC000353220568 404773723 /nfs/dbraw/zinc/77/37/23/404773723.db2.gz NVAYOQJLBXYIOE-UHFFFAOYSA-N 1 3 308.495 2.065 20 0 DEADHO C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCN2Cc2cccc(C)c2)C1 ZINC000378185688 404885833 /nfs/dbraw/zinc/88/58/33/404885833.db2.gz YAOVVXUIZZOAMB-QZTJIDSGSA-N 1 3 315.461 2.170 20 0 DEADHO CN(C)CCc1ccccc1NC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415585380 404889301 /nfs/dbraw/zinc/88/93/01/404889301.db2.gz XJBONCRBJUCOHI-GDBMZVCRSA-N 1 3 318.465 2.430 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1CCCCN1C1CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000434447465 404898430 /nfs/dbraw/zinc/89/84/30/404898430.db2.gz ZXCDVCKYTCKTJL-QSJFSLAZSA-N 1 3 307.482 2.381 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1CCCCN1C1CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000434447465 404898436 /nfs/dbraw/zinc/89/84/36/404898436.db2.gz ZXCDVCKYTCKTJL-QSJFSLAZSA-N 1 3 307.482 2.381 20 0 DEADHO CCn1cc(CCN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000367017226 404899709 /nfs/dbraw/zinc/89/97/09/404899709.db2.gz VERCEYUKMNLMHB-SJLPKXTDSA-N 1 3 302.466 2.394 20 0 DEADHO CCn1cc(CCN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000367017226 404899712 /nfs/dbraw/zinc/89/97/12/404899712.db2.gz VERCEYUKMNLMHB-SJLPKXTDSA-N 1 3 302.466 2.394 20 0 DEADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(N)C(F)(F)F ZINC000353473209 404840465 /nfs/dbraw/zinc/84/04/65/404840465.db2.gz UWLOBEICVVETRE-CYBMUJFWSA-N 1 3 317.355 2.033 20 0 DEADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(N)C(F)(F)F ZINC000353473209 404840466 /nfs/dbraw/zinc/84/04/66/404840466.db2.gz UWLOBEICVVETRE-CYBMUJFWSA-N 1 3 317.355 2.033 20 0 DEADHO C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N1CCCCCC1 ZINC000423973900 404955089 /nfs/dbraw/zinc/95/50/89/404955089.db2.gz NCYIQNVNDCMGRN-BPQIPLTHSA-N 1 3 315.461 2.123 20 0 DEADHO CC(C)[C@H](N)C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000353752430 404957057 /nfs/dbraw/zinc/95/70/57/404957057.db2.gz GNJPIFWNAVHCFP-NJAFHUGGSA-N 1 3 317.477 2.387 20 0 DEADHO CC(C)[C@H](N)C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000353752430 404957059 /nfs/dbraw/zinc/95/70/59/404957059.db2.gz GNJPIFWNAVHCFP-NJAFHUGGSA-N 1 3 317.477 2.387 20 0 DEADHO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000353762757 404963261 /nfs/dbraw/zinc/96/32/61/404963261.db2.gz SLVDDOZPPVYOFL-BPQIPLTHSA-N 1 3 317.477 2.257 20 0 DEADHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000416816919 404922479 /nfs/dbraw/zinc/92/24/79/404922479.db2.gz XQNGWKJHEKZNTR-JKSUJKDBSA-N 1 3 306.454 2.106 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]([NH2+]C)C1)c1ccccc1 ZINC000416842216 404932215 /nfs/dbraw/zinc/93/22/15/404932215.db2.gz MWPCVWKWHABVOI-DLBZAZTESA-N 1 3 318.465 2.073 20 0 DEADHO C[C@@H](CCC[NH3+])NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000417020384 405005544 /nfs/dbraw/zinc/00/55/44/405005544.db2.gz IWWVAHCDRHVDFD-DOTOQJQBSA-N 1 3 318.465 2.250 20 0 DEADHO [NH3+][C@H](CCC(=O)N[C@H]1CCN(C2CC2)C1)CC1CCCCC1 ZINC000424157131 405025531 /nfs/dbraw/zinc/02/55/31/405025531.db2.gz PHXHKBQKACUKHB-CVEARBPZSA-N 1 3 307.482 2.417 20 0 DEADHO C[C@H](CCNC(=O)[C@H](C)NC1CC1)[N@H+](C)Cc1ccccc1 ZINC000379669909 405027688 /nfs/dbraw/zinc/02/76/88/405027688.db2.gz HUKBFERNXWMTSM-CABCVRRESA-N 1 3 303.450 2.154 20 0 DEADHO C[C@H](CCNC(=O)[C@H](C)NC1CC1)[N@@H+](C)Cc1ccccc1 ZINC000379669909 405027692 /nfs/dbraw/zinc/02/76/92/405027692.db2.gz HUKBFERNXWMTSM-CABCVRRESA-N 1 3 303.450 2.154 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)CCCC[NH3+])CCN1Cc1ccccc1 ZINC000379660480 405027913 /nfs/dbraw/zinc/02/79/13/405027913.db2.gz CFBMIGUUJWWSCO-RDJZCZTQSA-N 1 3 303.450 2.285 20 0 DEADHO CN(C)[C@@H](CC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000416126522 405028958 /nfs/dbraw/zinc/02/89/58/405028958.db2.gz BSNYOCDXXWZWAD-QAPCUYQASA-N 1 3 315.461 2.280 20 0 DEADHO CN(C)[C@@H](CC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000416126522 405028961 /nfs/dbraw/zinc/02/89/61/405028961.db2.gz BSNYOCDXXWZWAD-QAPCUYQASA-N 1 3 315.461 2.280 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)N1CCNC(C)(C)C1)CC(C)C ZINC000416966902 404980857 /nfs/dbraw/zinc/98/08/57/404980857.db2.gz ZCBHRLSHUNWYHG-OAHLLOKOSA-N 1 3 312.502 2.136 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)c1 ZINC000378513871 404989426 /nfs/dbraw/zinc/98/94/26/404989426.db2.gz UDBQRCLLNCUSLR-UHFFFAOYSA-N 1 3 315.461 2.449 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC3(CCC[N@H+]3C)CC2)c1 ZINC000378513871 404989429 /nfs/dbraw/zinc/98/94/29/404989429.db2.gz UDBQRCLLNCUSLR-UHFFFAOYSA-N 1 3 315.461 2.449 20 0 DEADHO CC[C@@H]([NH3+])CNC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000417005590 404996569 /nfs/dbraw/zinc/99/65/69/404996569.db2.gz JBIYQTZEHGAPOJ-KGLIPLIRSA-N 1 3 312.483 2.168 20 0 DEADHO CN(CCC(=O)NCc1ccccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435621642 404997530 /nfs/dbraw/zinc/99/75/30/404997530.db2.gz NMYKJBCRNVAFKN-OAHLLOKOSA-N 1 3 323.868 2.420 20 0 DEADHO C[NH2+]CCCNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000417735112 405095744 /nfs/dbraw/zinc/09/57/44/405095744.db2.gz KXJOBLRPXIULQZ-ZFWWWQNUSA-N 1 3 324.494 2.040 20 0 DEADHO C[NH+](C)C1(CNC(=O)c2ccc(Nc3ccncc3)cc2)CC1 ZINC000416305947 405097700 /nfs/dbraw/zinc/09/77/00/405097700.db2.gz YWDFRKDXBWROPJ-UHFFFAOYSA-N 1 3 310.401 2.071 20 0 DEADHO C[NH+](C)CCOCCNCc1cnc(-c2ccccc2)s1 ZINC000354209264 405098955 /nfs/dbraw/zinc/09/89/55/405098955.db2.gz XHMWDXYIUXGDPS-UHFFFAOYSA-N 1 3 305.447 2.478 20 0 DEADHO CC[C@]1(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC000389856461 405041704 /nfs/dbraw/zinc/04/17/04/405041704.db2.gz AEBBJWNVOBPYPI-KVSKMBFKSA-N 1 3 315.461 2.155 20 0 DEADHO CCC[NH2+][C@@H](C)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424218455 405041976 /nfs/dbraw/zinc/04/19/76/405041976.db2.gz UCQHMFMSEFWTBG-RYQLBKOJSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@H](C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)[C@@H](N)c1ccccc1 ZINC000424225133 405043507 /nfs/dbraw/zinc/04/35/07/405043507.db2.gz PFMUTBAESLRNGY-HLLBOEOZSA-N 1 3 315.461 2.313 20 0 DEADHO C[C@H]1CC2(CN1CC(=O)N(C)Cc1cccs1)CC[NH2+]CC2 ZINC000424288162 405057859 /nfs/dbraw/zinc/05/78/59/405057859.db2.gz KJSHXIIIKJHKDZ-AWEZNQCLSA-N 1 3 321.490 2.171 20 0 DEADHO CCC[NH2+]CCNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000417218130 405065527 /nfs/dbraw/zinc/06/55/27/405065527.db2.gz GBSFOOMXJPUDEX-DOTOQJQBSA-N 1 3 318.465 2.121 20 0 DEADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCNC(=O)CCCc1ccccc1 ZINC000424315408 405067565 /nfs/dbraw/zinc/06/75/65/405067565.db2.gz CCQDZWCGXCZBBC-WMZOPIPTSA-N 1 3 317.477 2.055 20 0 DEADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCNC(=O)CCCc1ccccc1 ZINC000424315408 405067567 /nfs/dbraw/zinc/06/75/67/405067567.db2.gz CCQDZWCGXCZBBC-WMZOPIPTSA-N 1 3 317.477 2.055 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCN[C@H](C)[C@@H]2C)C1 ZINC000417225407 405068718 /nfs/dbraw/zinc/06/87/18/405068718.db2.gz XMMWFLFTIXHAOF-QXSJWSMHSA-N 1 3 324.513 2.135 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCN[C@H](C)[C@@H]2C)C1 ZINC000417225407 405068723 /nfs/dbraw/zinc/06/87/23/405068723.db2.gz XMMWFLFTIXHAOF-QXSJWSMHSA-N 1 3 324.513 2.135 20 0 DEADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C[C@@H]2CCN(C)C(=O)C2)CC1 ZINC000424323121 405068897 /nfs/dbraw/zinc/06/88/97/405068897.db2.gz KNFZCFBXWBKBMY-NUJGCVRESA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@H]2CCN(C)C(=O)C2)CC1 ZINC000424323121 405068901 /nfs/dbraw/zinc/06/89/01/405068901.db2.gz KNFZCFBXWBKBMY-NUJGCVRESA-N 1 3 321.509 2.488 20 0 DEADHO COc1cc2c(cc1CN1CC3(C[C@@H]1C)CC[NH2+]CC3)OCO2 ZINC000424381169 405079247 /nfs/dbraw/zinc/07/92/47/405079247.db2.gz QOTUDIHETIILTB-ZDUSSCGKSA-N 1 3 318.417 2.388 20 0 DEADHO C[NH2+]CCC1CCN(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000417321112 405086172 /nfs/dbraw/zinc/08/61/72/405086172.db2.gz BHJJJSGHEMCIMA-HOTGVXAUSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](NC(=O)N1CCN[C@H](C)[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417996313 405108291 /nfs/dbraw/zinc/10/82/91/405108291.db2.gz QZKBLAKMOCNMAM-FXUDXRNXSA-N 1 3 322.497 2.031 20 0 DEADHO C[C@H](NC(=O)N1CCN[C@H](C)[C@@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000417996313 405108296 /nfs/dbraw/zinc/10/82/96/405108296.db2.gz QZKBLAKMOCNMAM-FXUDXRNXSA-N 1 3 322.497 2.031 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)NC2(C)CC[NH2+]CC2)cc1 ZINC000418360689 405124109 /nfs/dbraw/zinc/12/41/09/405124109.db2.gz SWFLFEUPNNYQPW-INIZCTEOSA-N 1 3 318.465 2.251 20 0 DEADHO C[C@H]1C[C@H](NC(=O)N(CCN(C)C)CC2CCCCC2)CC[NH2+]1 ZINC000418614901 405139355 /nfs/dbraw/zinc/13/93/55/405139355.db2.gz XNKPGCKNVNMHDS-DOTOQJQBSA-N 1 3 324.513 2.280 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000418602096 405134433 /nfs/dbraw/zinc/13/44/33/405134433.db2.gz MBZGCDVDFIATGF-HZPDHXFCSA-N 1 3 310.486 2.034 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000418602098 405136180 /nfs/dbraw/zinc/13/61/80/405136180.db2.gz MBZGCDVDFIATGF-JKSUJKDBSA-N 1 3 310.486 2.034 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000418647940 405149053 /nfs/dbraw/zinc/14/90/53/405149053.db2.gz HGXLDANQHNKMAR-DYVFJYSZSA-N 1 3 318.465 2.018 20 0 DEADHO CC(C)(C)CCN1CCN(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418715715 405179434 /nfs/dbraw/zinc/17/94/34/405179434.db2.gz ITKKMDACYOVATL-JKSUJKDBSA-N 1 3 324.513 2.267 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)CCC(F)(F)F)CC2)CC1 ZINC000361690297 405200237 /nfs/dbraw/zinc/20/02/37/405200237.db2.gz GFYSJSRQJJRYSN-UHFFFAOYSA-N 1 3 321.387 2.004 20 0 DEADHO C[C@@H](C(=O)N1CCN(C2CC2)C[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000452174820 405203298 /nfs/dbraw/zinc/20/32/98/405203298.db2.gz RDOHCXBMHWGDDY-CVEARBPZSA-N 1 3 307.482 2.194 20 0 DEADHO CC[C@@H]([NH3+])CNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000418699446 405171322 /nfs/dbraw/zinc/17/13/22/405171322.db2.gz ASHKPTUJAADLIR-NVXWUHKLSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@@H](NC(=O)[C@H]1CCCN1C1CCCC1)C(C)(C)C[NH+](C)C ZINC000438545076 405250228 /nfs/dbraw/zinc/25/02/28/405250228.db2.gz LHBIKZNYONQRHW-GDBMZVCRSA-N 1 3 309.498 2.486 20 0 DEADHO Cc1cccc(C(=O)N2CCCN(CC[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000420298728 405310943 /nfs/dbraw/zinc/31/09/43/405310943.db2.gz FYDCZHVCHMDDLI-KRWDZBQOSA-N 1 3 315.461 2.143 20 0 DEADHO C[C@H](c1cccnc1)N1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420308635 405313546 /nfs/dbraw/zinc/31/35/46/405313546.db2.gz DCZWSNCRZZECOV-IAGOWNOFSA-N 1 3 302.466 2.150 20 0 DEADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)NCCC1CCCCC1 ZINC000420325530 405320177 /nfs/dbraw/zinc/32/01/77/405320177.db2.gz ISKAJNGXQDJAFL-MSOLQXFVSA-N 1 3 321.509 2.395 20 0 DEADHO COC(=O)c1ccccc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420329558 405321326 /nfs/dbraw/zinc/32/13/26/405321326.db2.gz OREWKIWBHINECY-GJZGRUSLSA-N 1 3 302.418 2.295 20 0 DEADHO C[C@H](C(=O)N(C)c1ccccc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420332489 405322598 /nfs/dbraw/zinc/32/25/98/405322598.db2.gz DAYHMSVSGFFEIJ-BRWVUGGUSA-N 1 3 315.461 2.359 20 0 DEADHO C[C@H](C(=O)NC1CCCCC1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420340616 405325648 /nfs/dbraw/zinc/32/56/48/405325648.db2.gz MWQFUYOQGJEQIN-OWCLPIDISA-N 1 3 307.482 2.145 20 0 DEADHO CC(C)N(C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)C1CCCC1 ZINC000420345060 405327411 /nfs/dbraw/zinc/32/74/11/405327411.db2.gz VBNCXJOHPQLDJD-IYBDPMFKSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](C(=O)NCC1CCCCC1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420345966 405327955 /nfs/dbraw/zinc/32/79/55/405327955.db2.gz WZDGUTKUADYWNC-NXHRZFHOSA-N 1 3 321.509 2.393 20 0 DEADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420346260 405328012 /nfs/dbraw/zinc/32/80/12/405328012.db2.gz XYETVKZRRPATDR-BSDSXHPESA-N 1 3 321.509 2.488 20 0 DEADHO Clc1ccccc1OC1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000420369693 405335549 /nfs/dbraw/zinc/33/55/49/405335549.db2.gz YBPOIGJITKRMMQ-UHFFFAOYSA-N 1 3 323.868 2.088 20 0 DEADHO [NH3+]C[C@@H](NCCCS(=O)(=O)c1ccccc1)C1CCCCC1 ZINC000420377019 405337759 /nfs/dbraw/zinc/33/77/59/405337759.db2.gz VWOWMRPQRPVNGG-QGZVFWFLSA-N 1 3 324.490 2.348 20 0 DEADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(CCOc2ccc(F)cc2)CC1 ZINC000420381902 405338973 /nfs/dbraw/zinc/33/89/73/405338973.db2.gz PGCCZBQEAHIKLO-MSOLQXFVSA-N 1 3 322.424 2.423 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)NCC2([NH+](C)C)CCC2)cc1 ZINC000445848733 405358861 /nfs/dbraw/zinc/35/88/61/405358861.db2.gz KBSORXKKMHEYDO-UHFFFAOYSA-N 1 3 318.465 2.032 20 0 DEADHO [NH3+]CCNC(=O)[C@@H]1CCCN([C@H]2CCc3c2cccc3Cl)C1 ZINC000420284034 405306954 /nfs/dbraw/zinc/30/69/54/405306954.db2.gz CHDUNKIFJAPBOV-WBMJQRKESA-N 1 3 321.852 2.114 20 0 DEADHO C[C@H](C(=O)NCC1CC[NH+](C2CC2)CC1)N1CCCCCC1 ZINC000446433678 405382514 /nfs/dbraw/zinc/38/25/14/405382514.db2.gz URSQWCLYTJXAOB-OAHLLOKOSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H](CNC(=O)NC1CCC([NH+](C)C)CC1)N1CCCC[C@H]1C ZINC000420802458 405387386 /nfs/dbraw/zinc/38/73/86/405387386.db2.gz PPOIWKBVPOTSPG-XNIRIUNOSA-N 1 3 324.513 2.421 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@@H]3CC[C@H]4C[C@H]43)CC2)CC1 ZINC000448836275 405453970 /nfs/dbraw/zinc/45/39/70/405453970.db2.gz PDQYJYNXMMQSRZ-RLFYNMQTSA-N 1 3 319.493 2.097 20 0 DEADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000430566877 405458744 /nfs/dbraw/zinc/45/87/44/405458744.db2.gz DOKBNVPFCNUHGM-CKDBGZEDSA-N 1 3 309.498 2.391 20 0 DEADHO [NH3+]CC1CCN([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000430604446 405465295 /nfs/dbraw/zinc/46/52/95/405465295.db2.gz NFAYXVZECMGITF-GOSISDBHSA-N 1 3 315.461 2.411 20 0 DEADHO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCC(C[NH3+])CC1 ZINC000430619610 405467819 /nfs/dbraw/zinc/46/78/19/405467819.db2.gz ABTACDNSIPPFGY-LSDHHAIUSA-N 1 3 303.450 2.231 20 0 DEADHO CN(C[C@@H]1CCCN(C)C1)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000577636927 405485276 /nfs/dbraw/zinc/48/52/76/405485276.db2.gz CDKJBNFGOWFPJY-WBVHZDCISA-N 1 3 303.450 2.267 20 0 DEADHO CC1CCN(CCC[NH2+]C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000568594169 292351290 /nfs/dbraw/zinc/35/12/90/292351290.db2.gz VNXKAZXIRXJLCO-SFHVURJKSA-N 1 3 308.441 2.441 20 0 DEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000458816844 405608477 /nfs/dbraw/zinc/60/84/77/405608477.db2.gz SFXNPDMOEVYWSL-HOTGVXAUSA-N 1 3 312.502 2.231 20 0 DEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000458816844 405608482 /nfs/dbraw/zinc/60/84/82/405608482.db2.gz SFXNPDMOEVYWSL-HOTGVXAUSA-N 1 3 312.502 2.231 20 0 DEADHO CCc1nccn1[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000557592989 405611155 /nfs/dbraw/zinc/61/11/55/405611155.db2.gz LAGWUXAOASQVLV-OAHLLOKOSA-N 1 3 318.465 2.341 20 0 DEADHO CN[C@@H](C)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000580449722 405620360 /nfs/dbraw/zinc/62/03/60/405620360.db2.gz YHFJRRFVROWIRG-HNNXBMFYSA-N 1 3 303.450 2.143 20 0 DEADHO C[N@H+](C[C@H](O)CNCC1(c2cccc(Cl)c2)CC1)C1CC1 ZINC000568621433 292354670 /nfs/dbraw/zinc/35/46/70/292354670.db2.gz ZGJMPSHWQBOLFR-MRXNPFEDSA-N 1 3 308.853 2.416 20 0 DEADHO C[N@@H+](C[C@H](O)CNCC1(c2cccc(Cl)c2)CC1)C1CC1 ZINC000568621433 292354671 /nfs/dbraw/zinc/35/46/71/292354671.db2.gz ZGJMPSHWQBOLFR-MRXNPFEDSA-N 1 3 308.853 2.416 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C2(C[NH3+])CCCC2)C1 ZINC000431062395 405570262 /nfs/dbraw/zinc/57/02/62/405570262.db2.gz PUWYMMLJJBZLCM-DOTOQJQBSA-N 1 3 315.461 2.457 20 0 DEADHO CN(C)Cc1ccc(-c2noc(C[C@@H]3CCC[C@H]3[NH3+])n2)cc1 ZINC000431183794 405589078 /nfs/dbraw/zinc/58/90/78/405589078.db2.gz RRKJXKLJENDCQO-LSDHHAIUSA-N 1 3 300.406 2.468 20 0 DEADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000449528345 405599187 /nfs/dbraw/zinc/59/91/87/405599187.db2.gz OUFGAIZWSMSXDX-HZPDHXFCSA-N 1 3 303.450 2.014 20 0 DEADHO CC(C)CC[C@@H](O)C[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000580555004 405642295 /nfs/dbraw/zinc/64/22/95/405642295.db2.gz AZPYCUABNOZWGA-MOPGFXCFSA-N 1 3 320.477 2.140 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2ccoc2c1 ZINC000580615598 405655600 /nfs/dbraw/zinc/65/56/00/405655600.db2.gz HVPZIVLHMPBIMM-UHFFFAOYSA-N 1 3 318.421 2.390 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000580713825 405672627 /nfs/dbraw/zinc/67/26/27/405672627.db2.gz ABVBFNLJVLYZEB-IRXDYDNUSA-N 1 3 321.509 2.486 20 0 DEADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1N1CCOCC1 ZINC000422691450 405675239 /nfs/dbraw/zinc/67/52/39/405675239.db2.gz IHDZAQSCMJBEBQ-DLBZAZTESA-N 1 3 303.450 2.273 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000423066374 405698791 /nfs/dbraw/zinc/69/87/91/405698791.db2.gz WTYAQHUVQFHSBJ-AYOQOUSVSA-N 1 3 301.478 2.485 20 0 DEADHO CC[C@H]([NH3+])C(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000638832018 405700743 /nfs/dbraw/zinc/70/07/43/405700743.db2.gz ONYBSTOQKYPENR-STQMWFEESA-N 1 3 317.355 2.162 20 0 DEADHO CC[NH+]1CCC(CNCc2ccccc2C(=O)N(C)C)CC1 ZINC000582290704 405701375 /nfs/dbraw/zinc/70/13/75/405701375.db2.gz YCRNHKHSXPCZQT-UHFFFAOYSA-N 1 3 303.450 2.210 20 0 DEADHO FC(F)COCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423065020 405696737 /nfs/dbraw/zinc/69/67/37/405696737.db2.gz ARUBKXMQOYFVMP-XJKSGUPXSA-N 1 3 312.360 2.114 20 0 DEADHO CCN(C)C(=O)[C@@H](N[C@H](C)c1ccc(C[NH3+])nc1C)C(C)C ZINC000423151821 405704353 /nfs/dbraw/zinc/70/43/53/405704353.db2.gz CXGFEDKPAQEWSD-CJNGLKHVSA-N 1 3 306.454 2.002 20 0 DEADHO C[C@@H](C(=O)NCc1cccc2c1CC[NH2+]C2)[C@@H](N)c1ccccc1 ZINC000638841606 405707980 /nfs/dbraw/zinc/70/79/80/405707980.db2.gz VRNBYYOOQZYYDA-AUUYWEPGSA-N 1 3 323.440 2.285 20 0 DEADHO CCOc1ccc(Cl)cc1[C@@H](C)NCCN1CC[NH2+]CC1 ZINC000423205363 405722850 /nfs/dbraw/zinc/72/28/50/405722850.db2.gz PINVZHZWTGXAQW-CYBMUJFWSA-N 1 3 311.857 2.295 20 0 DEADHO CO[C@H](C[NH2+]Cc1cccc(CN(C)C)c1)C1CCOCC1 ZINC000638850350 405713534 /nfs/dbraw/zinc/71/35/34/405713534.db2.gz DONMDUSZFKCZAC-GOSISDBHSA-N 1 3 306.450 2.279 20 0 DEADHO CC(C)[C@@H](C(=O)NCCCC[N@H+](C)C1CC1)N1CCCCC1 ZINC000457204938 405750419 /nfs/dbraw/zinc/75/04/19/405750419.db2.gz QNQCTIXPVWNJBE-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)NCCCC[N@@H+](C)C1CC1)N1CCCCC1 ZINC000457204938 405750425 /nfs/dbraw/zinc/75/04/25/405750425.db2.gz QNQCTIXPVWNJBE-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO Fc1cccc(Cl)c1CN1CCC(NCC2C[NH2+]C2)CC1 ZINC000423301581 405751167 /nfs/dbraw/zinc/75/11/67/405751167.db2.gz HSZNCORMQLFMIQ-UHFFFAOYSA-N 1 3 311.832 2.253 20 0 DEADHO Fc1cccc(Cl)c1CN1CCC([NH2+]CC2CNC2)CC1 ZINC000423301581 405751178 /nfs/dbraw/zinc/75/11/78/405751178.db2.gz HSZNCORMQLFMIQ-UHFFFAOYSA-N 1 3 311.832 2.253 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000583558826 405759793 /nfs/dbraw/zinc/75/97/93/405759793.db2.gz MOIXWAYJNGDZIW-DGCLKSJQSA-N 1 3 316.371 2.136 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)CC2(C[NH3+])CC2)CCN1Cc1ccccc1 ZINC000423373043 405782012 /nfs/dbraw/zinc/78/20/12/405782012.db2.gz GXUZBPYHWUWDFE-WBVHZDCISA-N 1 3 315.461 2.285 20 0 DEADHO CC1(C)CCCN[C@H]1C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000423388021 405786436 /nfs/dbraw/zinc/78/64/36/405786436.db2.gz MNFJINPFZWLEIN-SFHVURJKSA-N 1 3 316.493 2.414 20 0 DEADHO CC1(C)CCC[NH2+][C@H]1CNC1CCN(Cc2ccccn2)CC1 ZINC000423388021 405786445 /nfs/dbraw/zinc/78/64/45/405786445.db2.gz MNFJINPFZWLEIN-SFHVURJKSA-N 1 3 316.493 2.414 20 0 DEADHO CCC1([NH+](C)C)CCN(C(=O)c2cccc3c2CCNC3)CC1 ZINC000638981571 405795291 /nfs/dbraw/zinc/79/52/91/405795291.db2.gz UREYALPJILNMJK-UHFFFAOYSA-N 1 3 315.461 2.279 20 0 DEADHO CC[C@](CN[C@H]1CCC[C@H]([NH3+])C1)(C(=O)OC)c1ccccc1 ZINC000584004595 405807520 /nfs/dbraw/zinc/80/75/20/405807520.db2.gz POLBPJDQJVHXOJ-XYJFISCASA-N 1 3 304.434 2.367 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)C[C@@H]3CCC[C@H]3[NH3+])C2)cc1 ZINC000639002122 405814124 /nfs/dbraw/zinc/81/41/24/405814124.db2.gz WWMDUYABMJLJCG-RCCFBDPRSA-N 1 3 315.461 2.203 20 0 DEADHO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000639003714 405814548 /nfs/dbraw/zinc/81/45/48/405814548.db2.gz BXDFCQSVKYFGJG-USXIJHARSA-N 1 3 303.450 2.059 20 0 DEADHO [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)[C@H]2CNCc3ccccc32)C1 ZINC000639024474 405827252 /nfs/dbraw/zinc/82/72/52/405827252.db2.gz OSQCFTBQCAAXAM-KSSFIOAISA-N 1 3 321.424 2.038 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+])N(C)C)cc1 ZINC000423336430 405765218 /nfs/dbraw/zinc/76/52/18/405765218.db2.gz GWUNHXANECIDJG-BHYGNILZSA-N 1 3 305.466 2.333 20 0 DEADHO C[C@H](CN)[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000423336922 405766018 /nfs/dbraw/zinc/76/60/18/405766018.db2.gz UQJOOVWMDJMWQV-HTQZYQBOSA-N 1 3 322.165 2.428 20 0 DEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@]1(C)CCCNC1 ZINC000423335426 405766131 /nfs/dbraw/zinc/76/61/31/405766131.db2.gz RWJVPCXBGVWQLO-NEWSRXKRSA-N 1 3 316.493 2.271 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H](N)c1ccccc1 ZINC000423338157 405767911 /nfs/dbraw/zinc/76/79/11/405767911.db2.gz KQWFJVFCONOMSZ-ZACQAIPSSA-N 1 3 315.461 2.456 20 0 DEADHO CC(C)(C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H](N)c1ccccc1 ZINC000423338157 405767915 /nfs/dbraw/zinc/76/79/15/405767915.db2.gz KQWFJVFCONOMSZ-ZACQAIPSSA-N 1 3 315.461 2.456 20 0 DEADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@@H]2CNC[C@H]2c2ccccc2)[C@@H]1C ZINC000423499591 405827632 /nfs/dbraw/zinc/82/76/32/405827632.db2.gz CDWLPGYETWPYFM-PLLDYVMSSA-N 1 3 316.445 2.309 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(C3CC3)CC2)C[C@H](C)O1 ZINC000459383996 405879882 /nfs/dbraw/zinc/87/98/82/405879882.db2.gz HSEVQDQZLUBNCL-IYBDPMFKSA-N 1 3 309.498 2.092 20 0 DEADHO C[C@H]1CN(CCCC[NH2+]Cc2cnc(C3CC3)nc2)C[C@H](C)O1 ZINC000459381683 405880506 /nfs/dbraw/zinc/88/05/06/405880506.db2.gz DJBWNWXCNBRDDL-GJZGRUSLSA-N 1 3 318.465 2.333 20 0 DEADHO CC[C@H](CNC(=O)[C@@H](C[NH3+])C(C)C)N1CCc2ccccc2C1 ZINC000433157540 405882603 /nfs/dbraw/zinc/88/26/03/405882603.db2.gz GMVUYDVQILAJKL-MSOLQXFVSA-N 1 3 317.477 2.170 20 0 DEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCCNC1CC1 ZINC000423533313 405845842 /nfs/dbraw/zinc/84/58/42/405845842.db2.gz XHKUHYOSUTXYIF-CRAIPNDOSA-N 1 3 302.466 2.024 20 0 DEADHO COc1ccc(CN2CCC(C[NH2+][C@@H](C)[C@@H](C)O)CC2)cc1 ZINC000584226685 405852758 /nfs/dbraw/zinc/85/27/58/405852758.db2.gz IIJLVCROKOOURA-LSDHHAIUSA-N 1 3 306.450 2.266 20 0 DEADHO C[C@@H](CNC(=O)NC[C@@H](c1cccs1)N1CCCC1)[NH+](C)C ZINC000457493640 405866075 /nfs/dbraw/zinc/86/60/75/405866075.db2.gz QHCFEZBYSVBZLP-KBPBESRZSA-N 1 3 324.494 2.134 20 0 DEADHO Cn1cncc1CCN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000459496061 405928319 /nfs/dbraw/zinc/92/83/19/405928319.db2.gz GELUKPPUYPJYBM-MOPGFXCFSA-N 1 3 324.472 2.417 20 0 DEADHO Cn1cncc1CCN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000459496061 405928325 /nfs/dbraw/zinc/92/83/25/405928325.db2.gz GELUKPPUYPJYBM-MOPGFXCFSA-N 1 3 324.472 2.417 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)C[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000423728345 405931539 /nfs/dbraw/zinc/93/15/39/405931539.db2.gz LSCDLUOPLBEJQT-IAGOWNOFSA-N 1 3 303.450 2.272 20 0 DEADHO CN(C)CCN(Cc1ccccc1)C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000423733834 405933693 /nfs/dbraw/zinc/93/36/93/405933693.db2.gz QGWAPLUOVSTEQA-KRWDZBQOSA-N 1 3 317.477 2.357 20 0 DEADHO CC(C)[C@H](C[NH3+])C(=O)N(CCCc1ccccc1)CCN(C)C ZINC000423739562 405937540 /nfs/dbraw/zinc/93/75/40/405937540.db2.gz FZZZVPGCELINHR-SFHVURJKSA-N 1 3 319.493 2.240 20 0 DEADHO COCCc1ncc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)s1 ZINC000639176811 405948061 /nfs/dbraw/zinc/94/80/61/405948061.db2.gz LGFQYIUSJJMIPD-OAHLLOKOSA-N 1 3 323.506 2.496 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000433228349 405903809 /nfs/dbraw/zinc/90/38/09/405903809.db2.gz OVHPIRDIYKJCOP-IRXDYDNUSA-N 1 3 301.434 2.105 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000433228349 405903813 /nfs/dbraw/zinc/90/38/13/405903813.db2.gz OVHPIRDIYKJCOP-IRXDYDNUSA-N 1 3 301.434 2.105 20 0 DEADHO CCC[C@@H](O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000450472521 405917499 /nfs/dbraw/zinc/91/74/99/405917499.db2.gz FRQWTCXCRKITJW-SOLBZPMBSA-N 1 3 312.498 2.359 20 0 DEADHO CN1CCN(CCCC[NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000531941191 406025346 /nfs/dbraw/zinc/02/53/46/406025346.db2.gz YJYGGIBMNHCUIK-GOSISDBHSA-N 1 3 305.441 2.430 20 0 DEADHO CO[C@@](C)(CNC1CC[NH+](CC(C)(C)O)CC1)c1ccccc1 ZINC000639229450 405989706 /nfs/dbraw/zinc/98/97/06/405989706.db2.gz WRVVOEUZICHQKC-IBGZPJMESA-N 1 3 320.477 2.373 20 0 DEADHO CN(CCC[NH3+])C(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000516167920 406087775 /nfs/dbraw/zinc/08/77/75/406087775.db2.gz OCMXOBSONJDOPN-UHFFFAOYSA-N 1 3 318.465 2.031 20 0 DEADHO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000639337752 406055195 /nfs/dbraw/zinc/05/51/95/406055195.db2.gz OXUSQCPTSWOORZ-PVAVHDDUSA-N 1 3 307.482 2.145 20 0 DEADHO Cc1c[nH+]ccc1N[C@H](C)CN1CCN(c2ccccc2)CC1 ZINC000480015401 406172494 /nfs/dbraw/zinc/17/24/94/406172494.db2.gz LZLQJFBQUPNHRM-QGZVFWFLSA-N 1 3 310.445 2.435 20 0 DEADHO CCc1cc(N2CCC[C@H]([NH2+][C@@H](C)[C@@H]3CCCCN3)C2)ncn1 ZINC000567647063 406111833 /nfs/dbraw/zinc/11/18/33/406111833.db2.gz PQIKMOZDMFFKEC-XIRDDKMYSA-N 1 3 317.481 2.128 20 0 DEADHO CC(C)COC[C@H](O)CNCc1cccc(C[NH+]2CCCC2)c1 ZINC000567677789 406117399 /nfs/dbraw/zinc/11/73/99/406117399.db2.gz AALHWMCJUIRLRX-LJQANCHMSA-N 1 3 320.477 2.406 20 0 DEADHO CC(C)CN1CCC([NH2+]C[C@@H](O)COc2ccccc2F)CC1 ZINC000567680747 406118001 /nfs/dbraw/zinc/11/80/01/406118001.db2.gz DLPLMNCITZYYGK-MRXNPFEDSA-N 1 3 324.440 2.275 20 0 DEADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000567894568 406156244 /nfs/dbraw/zinc/15/62/44/406156244.db2.gz FDPDHEKYLNQXFZ-ZDUSSCGKSA-N 1 3 318.442 2.400 20 0 DEADHO C[C@@H](NC(=O)NC[C@H]1CCCN1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000637035823 406157535 /nfs/dbraw/zinc/15/75/35/406157535.db2.gz XRSQEIDHUBIUHX-BFYDXBDKSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](NC(=O)NC[C@H]1CCCN1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000637035823 406157538 /nfs/dbraw/zinc/15/75/38/406157538.db2.gz XRSQEIDHUBIUHX-BFYDXBDKSA-N 1 3 322.497 2.033 20 0 DEADHO CC[N@@H+]1CC[C@H](NCCn2ccc(C(F)(F)F)n2)[C@@H](C)C1 ZINC000634687461 406226054 /nfs/dbraw/zinc/22/60/54/406226054.db2.gz LRFKEYSHYYQIGP-RYUDHWBXSA-N 1 3 304.360 2.222 20 0 DEADHO CC[N@H+]1CC[C@H](NCCn2ccc(C(F)(F)F)n2)[C@@H](C)C1 ZINC000634687461 406226060 /nfs/dbraw/zinc/22/60/60/406226060.db2.gz LRFKEYSHYYQIGP-RYUDHWBXSA-N 1 3 304.360 2.222 20 0 DEADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H]3CCCC[C@@H]3O)CC2)C[C@@H](C)O1 ZINC000568946019 292378137 /nfs/dbraw/zinc/37/81/37/292378137.db2.gz ZQGUXDVTRXGBLY-FPAYPSAMSA-N 1 3 324.509 2.359 20 0 DEADHO O[C@H]1CCCC[C@@H]1CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000519698449 406236191 /nfs/dbraw/zinc/23/61/91/406236191.db2.gz NGJBXPSRWLGOMY-VYCZESIESA-N 1 3 316.445 2.383 20 0 DEADHO CN(C)C(=O)[C@@H](c1ccccc1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639759748 406237687 /nfs/dbraw/zinc/23/76/87/406237687.db2.gz ILKJDMVRPXMIAM-QGZVFWFLSA-N 1 3 315.461 2.234 20 0 DEADHO COCC[C@@H](c1ccccc1)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762142 406239762 /nfs/dbraw/zinc/23/97/62/406239762.db2.gz GRJIJCLZQODAGD-ZWKOTPCHSA-N 1 3 306.450 2.153 20 0 DEADHO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639762428 406239842 /nfs/dbraw/zinc/23/98/42/406239842.db2.gz LEIGNQKEGZWJIX-IXDOHACOSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)N1CCCCC1 ZINC000634762237 406271295 /nfs/dbraw/zinc/27/12/95/406271295.db2.gz SCTWGGFTFVMHMD-HOTGVXAUSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000488542618 406328730 /nfs/dbraw/zinc/32/87/30/406328730.db2.gz KKSAZZZJWNOKBB-MAUKXSAKSA-N 1 3 315.461 2.258 20 0 DEADHO CC[N@H+](CCNC(=O)N1CCN(C2CCC2)C[C@H](C)C1)C(C)C ZINC000488687463 406338087 /nfs/dbraw/zinc/33/80/87/406338087.db2.gz QHTHOYVYFBDSMJ-INIZCTEOSA-N 1 3 324.513 2.233 20 0 DEADHO CC[N@@H+](CCNC(=O)N1CCN(C2CCC2)C[C@H](C)C1)C(C)C ZINC000488687463 406338089 /nfs/dbraw/zinc/33/80/89/406338089.db2.gz QHTHOYVYFBDSMJ-INIZCTEOSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000488910861 406360599 /nfs/dbraw/zinc/36/05/99/406360599.db2.gz LSDQLLLCAKPKBK-CKEIUWERSA-N 1 3 321.440 2.417 20 0 DEADHO [NH3+]Cc1cn([C@@H]2CCN(Cc3ccc(-c4ccccc4)o3)C2)nn1 ZINC000635000040 406393627 /nfs/dbraw/zinc/39/36/27/406393627.db2.gz FRNZGAGRUGFVFB-MRXNPFEDSA-N 1 3 323.400 2.444 20 0 DEADHO COCC[C@H]1CCC[C@H]1Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635010715 406399098 /nfs/dbraw/zinc/39/90/98/406399098.db2.gz VDNJRMWYAIEBIM-GDBMZVCRSA-N 1 3 304.438 2.108 20 0 DEADHO CC(C)OCC[C@@H](O)C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000570509298 406403145 /nfs/dbraw/zinc/40/31/45/406403145.db2.gz XFRWHKYXYXHYCM-GOSISDBHSA-N 1 3 321.465 2.064 20 0 DEADHO CN1CC[C@@H]2CCN(C(=O)CC[N@H+](C)C3CCCCC3)[C@H]2C1 ZINC000548064218 406475836 /nfs/dbraw/zinc/47/58/36/406475836.db2.gz ZWTUKWMZBRJNHY-WBVHZDCISA-N 1 3 307.482 2.194 20 0 DEADHO CN1CC[C@@H]2CCN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@H]2C1 ZINC000548064218 406475842 /nfs/dbraw/zinc/47/58/42/406475842.db2.gz ZWTUKWMZBRJNHY-WBVHZDCISA-N 1 3 307.482 2.194 20 0 DEADHO CCc1ccc([C@H](CNC(=O)C2(C[NH+](C)C)CC2)N(C)C)cc1 ZINC000635135958 406435824 /nfs/dbraw/zinc/43/58/24/406435824.db2.gz BLCRBVFHDOXJRG-KRWDZBQOSA-N 1 3 317.477 2.310 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)NCC[NH2+]C2CCCCCC2)CN1C1CC1 ZINC000571268557 406498238 /nfs/dbraw/zinc/49/82/38/406498238.db2.gz WTPZVPQMDXPWNU-GOEBONIOSA-N 1 3 322.497 2.223 20 0 DEADHO CN(CC(=O)N1CCC([NH+]2CCCCC2)CC1)CC(C)(C)C ZINC000635419406 406529983 /nfs/dbraw/zinc/52/99/83/406529983.db2.gz AUXKMHWVUSLAEX-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CNC(=O)CCC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000571533080 406532853 /nfs/dbraw/zinc/53/28/53/406532853.db2.gz CLRIJRWJXMWCRV-UHFFFAOYSA-N 1 3 318.465 2.146 20 0 DEADHO CNC(=O)CCC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000571533080 406532857 /nfs/dbraw/zinc/53/28/57/406532857.db2.gz CLRIJRWJXMWCRV-UHFFFAOYSA-N 1 3 318.465 2.146 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CNCc3ccccc32)C1 ZINC000571639266 406546538 /nfs/dbraw/zinc/54/65/38/406546538.db2.gz TURRTMRTLLOBHP-QAPCUYQASA-N 1 3 315.461 2.064 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CNCc3ccccc32)C1 ZINC000571639266 406546542 /nfs/dbraw/zinc/54/65/42/406546542.db2.gz TURRTMRTLLOBHP-QAPCUYQASA-N 1 3 315.461 2.064 20 0 DEADHO Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000571671054 406551293 /nfs/dbraw/zinc/55/12/93/406551293.db2.gz PQGGOIVTLWPXRD-YESZJQIVSA-N 1 3 306.450 2.197 20 0 DEADHO Cc1nn(C)c2ncc(C[NH2+]C3CCN(CC4CC4)CC3)cc12 ZINC000550112499 406598090 /nfs/dbraw/zinc/59/80/90/406598090.db2.gz QZKCDVJWKCXKIE-UHFFFAOYSA-N 1 3 313.449 2.241 20 0 DEADHO CC(C)CC[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000638311432 406690820 /nfs/dbraw/zinc/69/08/20/406690820.db2.gz WDGYKUHDKBCKSH-HYVNUMGLSA-N 1 3 307.482 2.225 20 0 DEADHO CC(C)CC[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000638311432 406690825 /nfs/dbraw/zinc/69/08/25/406690825.db2.gz WDGYKUHDKBCKSH-HYVNUMGLSA-N 1 3 307.482 2.225 20 0 DEADHO CC[C@@H](C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)N(C)C ZINC000268808686 286724437 /nfs/dbraw/zinc/72/44/37/286724437.db2.gz GNGJAKNTUNGRSU-SFHVURJKSA-N 1 3 317.477 2.450 20 0 DEADHO CC[NH2+][C@H](C)C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000638377704 406735317 /nfs/dbraw/zinc/73/53/17/406735317.db2.gz JRHSSLOKRDEZOM-OAHLLOKOSA-N 1 3 318.465 2.145 20 0 DEADHO C[NH+](C)C/C=C\C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000491852509 406747951 /nfs/dbraw/zinc/74/79/51/406747951.db2.gz UAJZEGXVOPJRAM-XSZJWBAASA-N 1 3 315.461 2.275 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCN2C2CCCCC2)CC[N@@H+]1C ZINC000527813459 406761220 /nfs/dbraw/zinc/76/12/20/406761220.db2.gz ZSJLCYYONVPXNN-VYDXJSESSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCN2C2CCCCC2)CC[N@H+]1C ZINC000527813459 406761221 /nfs/dbraw/zinc/76/12/21/406761221.db2.gz ZSJLCYYONVPXNN-VYDXJSESSA-N 1 3 322.497 2.175 20 0 DEADHO Cc1cccc(CN(CCN(C)C)C(=O)/C=C\C[NH+](C)C)c1 ZINC000491901931 406769623 /nfs/dbraw/zinc/76/96/23/406769623.db2.gz ARRGLWHSXIDTFS-YFHOEESVSA-N 1 3 303.450 2.003 20 0 DEADHO CN(CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)CC(C)(C)C ZINC000638348873 406715392 /nfs/dbraw/zinc/71/53/92/406715392.db2.gz VFKZBUQSMKRJMG-GOEBONIOSA-N 1 3 321.440 2.057 20 0 DEADHO CO[C@H](CNCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000638371226 406730661 /nfs/dbraw/zinc/73/06/61/406730661.db2.gz JVXNYBPQEOSENW-SOLBZPMBSA-N 1 3 312.498 2.386 20 0 DEADHO CO[C@H](CNCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000638371226 406730665 /nfs/dbraw/zinc/73/06/65/406730665.db2.gz JVXNYBPQEOSENW-SOLBZPMBSA-N 1 3 312.498 2.386 20 0 DEADHO CO[C@H](C[NH2+]CCCN1C[C@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000638371226 406730671 /nfs/dbraw/zinc/73/06/71/406730671.db2.gz JVXNYBPQEOSENW-SOLBZPMBSA-N 1 3 312.498 2.386 20 0 DEADHO CCc1oc(CNCC2CC[NH+](CC)CC2)cc1C(=O)OC ZINC000554584348 406814999 /nfs/dbraw/zinc/81/49/99/406814999.db2.gz WMEGXDIRQJQDFX-UHFFFAOYSA-N 1 3 308.422 2.450 20 0 DEADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000646212934 406818318 /nfs/dbraw/zinc/81/83/18/406818318.db2.gz WODKAIFWNARZEF-KGLIPLIRSA-N 1 3 324.444 2.025 20 0 DEADHO Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000577500611 406838805 /nfs/dbraw/zinc/83/88/05/406838805.db2.gz KPUPROCYKGTBAU-SJLPKXTDSA-N 1 3 320.477 2.446 20 0 DEADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccnc(OC)c2)CC1 ZINC000556237146 406866314 /nfs/dbraw/zinc/86/63/14/406866314.db2.gz ZQMHJUXVTWCAGI-MRXNPFEDSA-N 1 3 320.481 2.159 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)CO1 ZINC000647172063 406964323 /nfs/dbraw/zinc/96/43/23/406964323.db2.gz GWUURVVOMRKXOJ-ZWKOTPCHSA-N 1 3 317.477 2.356 20 0 DEADHO CN1C[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000647177615 406965991 /nfs/dbraw/zinc/96/59/91/406965991.db2.gz GMTVIVRUQJXBAO-SJORKVTESA-N 1 3 313.445 2.004 20 0 DEADHO CN1C[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000647177615 406965994 /nfs/dbraw/zinc/96/59/94/406965994.db2.gz GMTVIVRUQJXBAO-SJORKVTESA-N 1 3 313.445 2.004 20 0 DEADHO C[C@@H](N[C@@H](C[NH3+])C1CCCCC1)c1cccc(-n2cnnn2)c1 ZINC000643511257 407009253 /nfs/dbraw/zinc/00/92/53/407009253.db2.gz IPXLAYJBSMJPMH-DYVFJYSZSA-N 1 3 314.437 2.221 20 0 DEADHO COc1cc(NC(C)=O)ccc1[C@@H](C)N[C@@H]1CC12CC[NH2+]CC2 ZINC000643536818 407012314 /nfs/dbraw/zinc/01/23/14/407012314.db2.gz WVVBMJIFFWVJMV-SJKOYZFVSA-N 1 3 317.433 2.446 20 0 DEADHO C[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000643538684 407012662 /nfs/dbraw/zinc/01/26/62/407012662.db2.gz RPKAZPUXJGTKOT-UBDQQSCGSA-N 1 3 305.441 2.187 20 0 DEADHO NC(=O)c1csc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647542974 407016841 /nfs/dbraw/zinc/01/68/41/407016841.db2.gz FMSKOZXFEVTCNU-OLZOCXBDSA-N 1 3 307.463 2.059 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H](NC2CCN(C(=O)c3ccccc3F)CC2)C1 ZINC000647549414 407018507 /nfs/dbraw/zinc/01/85/07/407018507.db2.gz YKVYUMPTPIKRDA-DZGCQCFKSA-N 1 3 319.424 2.018 20 0 DEADHO Cc1nc(CN2CCC(C[NH2+][C@H]3CNC[C@H](C)C3)CC2)oc1C ZINC000647548544 407018751 /nfs/dbraw/zinc/01/87/51/407018751.db2.gz HGIOWBDRHAUITL-CXAGYDPISA-N 1 3 320.481 2.091 20 0 DEADHO Cc1nc(CN2CCC(CN[C@H]3C[NH2+]C[C@H](C)C3)CC2)oc1C ZINC000647548544 407018753 /nfs/dbraw/zinc/01/87/53/407018753.db2.gz HGIOWBDRHAUITL-CXAGYDPISA-N 1 3 320.481 2.091 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[NH2+]C2(c3ccccc3Cl)CC2)C1 ZINC000647552729 407019870 /nfs/dbraw/zinc/01/98/70/407019870.db2.gz SSBDMUHASUIKDC-ZDUSSCGKSA-N 1 3 321.852 2.116 20 0 DEADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCCc3ncn(C)n3)CC2)C1 ZINC000647325728 406986480 /nfs/dbraw/zinc/98/64/80/406986480.db2.gz NXKAUWUKHSOZOO-NVXWUHKLSA-N 1 3 319.497 2.380 20 0 DEADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CCCc3ncn(C)n3)CC2)C1 ZINC000647325728 406986481 /nfs/dbraw/zinc/98/64/81/406986481.db2.gz NXKAUWUKHSOZOO-NVXWUHKLSA-N 1 3 319.497 2.380 20 0 DEADHO CN(C(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)C1CCCCC1 ZINC000647975244 407091918 /nfs/dbraw/zinc/09/19/18/407091918.db2.gz RZTIAUBEWBZLQF-DLBZAZTESA-N 1 3 321.509 2.489 20 0 DEADHO CCC(C)(C)NC(=O)[C@H](C)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976151 407091982 /nfs/dbraw/zinc/09/19/82/407091982.db2.gz KWOLLOIGUGGVQB-HRCADAONSA-N 1 3 309.498 2.391 20 0 DEADHO CCCN(CCC)C(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976782 407092720 /nfs/dbraw/zinc/09/27/20/407092720.db2.gz UHUVMXDTANWTDZ-DLBZAZTESA-N 1 3 309.498 2.347 20 0 DEADHO CN(CCCC1CC[NH2+]CC1)CC(=O)NCc1ccccc1 ZINC000647886675 407068029 /nfs/dbraw/zinc/06/80/29/407068029.db2.gz IKRMUCYHGXEYSI-UHFFFAOYSA-N 1 3 303.450 2.014 20 0 DEADHO CC(C)[NH+]1CCC(N[C@@H]2CCCc3c2ccc(=O)n3C)CC1 ZINC000647909451 407072502 /nfs/dbraw/zinc/07/25/02/407072502.db2.gz PBRVAABYBXUVLU-MRXNPFEDSA-N 1 3 303.450 2.225 20 0 DEADHO CC[C@H]1CN(CCCOc2ccc3c(c2)OCO3)CC[C@H]1[NH3+] ZINC000647936772 407079632 /nfs/dbraw/zinc/07/96/32/407079632.db2.gz KXKTYBNKQKIKPC-DZGCQCFKSA-N 1 3 306.406 2.243 20 0 DEADHO CN(C[C@@H](O)CNc1ccc2c(c1)CC[C@@H]2[NH+](C)C)C1CC1 ZINC000644702989 407170264 /nfs/dbraw/zinc/17/02/64/407170264.db2.gz UCUAMAKRYMICIQ-WMZOPIPTSA-N 1 3 303.450 2.103 20 0 DEADHO CCCN(C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1)[C@H]1CCN(C)C1 ZINC000645205663 407246593 /nfs/dbraw/zinc/24/65/93/407246593.db2.gz KSTKRCXPDJIOKZ-BBWFWOEESA-N 1 3 324.513 2.233 20 0 DEADHO CCCN(C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1)[C@H]1CCN(C)C1 ZINC000645205663 407246595 /nfs/dbraw/zinc/24/65/95/407246595.db2.gz KSTKRCXPDJIOKZ-BBWFWOEESA-N 1 3 324.513 2.233 20 0 DEADHO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCN(c2ccncc2)CC1 ZINC000645222046 407249091 /nfs/dbraw/zinc/24/90/91/407249091.db2.gz UXHVXNZLLBCNDS-DLBZAZTESA-N 1 3 316.449 2.028 20 0 DEADHO Cc1ccccc1CN1CCC(NC(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000645564391 407294193 /nfs/dbraw/zinc/29/41/93/407294193.db2.gz DESKMGXXGMLGPB-KRWDZBQOSA-N 1 3 315.461 2.074 20 0 DEADHO C[C@@H](CN(C)C)NC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000358515730 286817104 /nfs/dbraw/zinc/81/71/04/286817104.db2.gz AULXPYSIKJJOIE-HNNXBMFYSA-N 1 3 312.502 2.280 20 0 DEADHO CC(C)C[C@H](C)C[NH2+][C@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC001369430089 1148981050 /nfs/dbraw/zinc/98/10/50/1148981050.db2.gz AKIGEOZLGCJCPX-HOCLYGCPSA-N 1 3 320.481 2.461 20 0 DEADHO CC[C@]1(C)C[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000134072274 196359144 /nfs/dbraw/zinc/35/91/44/196359144.db2.gz BYARMCXYMYLFFX-FUHWJXTLSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H](CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)N1CCC(C)CC1 ZINC000417315019 229006962 /nfs/dbraw/zinc/00/69/62/229006962.db2.gz RVJNPCQOBHZCQX-BRWVUGGUSA-N 1 3 324.513 2.171 20 0 DEADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C)CCCC[NH3+])N(C)C)cc1 ZINC000417318015 229008736 /nfs/dbraw/zinc/00/87/36/229008736.db2.gz XVIIRJBEXHJHMX-RDJZCZTQSA-N 1 3 320.481 2.414 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)NCC(C)(C)[NH3+])CCN1Cc1ccccc1 ZINC000417835119 229118574 /nfs/dbraw/zinc/11/85/74/229118574.db2.gz KNGBOERNYPAKTO-HOCLYGCPSA-N 1 3 318.465 2.076 20 0 DEADHO CN(C(=O)NCCCC[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418508151 229370035 /nfs/dbraw/zinc/37/00/35/229370035.db2.gz KAMMLQKNWGEHEZ-QGZVFWFLSA-N 1 3 318.465 2.031 20 0 DEADHO C[C@H](CC[NH3+])NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000418564788 229389950 /nfs/dbraw/zinc/38/99/50/229389950.db2.gz UUXWBBRXVCTGNB-HZPDHXFCSA-N 1 3 318.465 2.030 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418584713 229394982 /nfs/dbraw/zinc/39/49/82/229394982.db2.gz XPSSJRAEYLZDIX-QGZVFWFLSA-N 1 3 324.513 2.282 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422004574 230047979 /nfs/dbraw/zinc/04/79/79/230047979.db2.gz GOXONVSKPAQBAN-UHFFFAOYSA-N 1 3 303.450 2.351 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cccc(CN2CCOCC2)c1 ZINC000422695373 230166909 /nfs/dbraw/zinc/16/69/09/230166909.db2.gz PROCETKTIBUWKF-MOPGFXCFSA-N 1 3 317.477 2.126 20 0 DEADHO Cc1cccc(N2CCC([NH2+][C@H]3CCNCC[C@H]3C)CC2)n1 ZINC000422754000 230189788 /nfs/dbraw/zinc/18/97/88/230189788.db2.gz FQIHZZNXCNOGBS-PBHICJAKSA-N 1 3 302.466 2.337 20 0 DEADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](CO)Cc1c(F)cccc1Cl ZINC000422798171 230212672 /nfs/dbraw/zinc/21/26/72/230212672.db2.gz QALXBGHKEVFFON-MKBNYLNASA-N 1 3 314.832 2.347 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H](CO)Cc1c(F)cccc1Cl ZINC000422798171 230212678 /nfs/dbraw/zinc/21/26/78/230212678.db2.gz QALXBGHKEVFFON-MKBNYLNASA-N 1 3 314.832 2.347 20 0 DEADHO C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H](CN1CCCC1)c1ccccc1 ZINC000422802595 230216300 /nfs/dbraw/zinc/21/63/00/230216300.db2.gz HOHHWJITNZRHDH-QRQLOZEOSA-N 1 3 317.477 2.180 20 0 DEADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccccc1OCCN(C)C ZINC000422817444 230225107 /nfs/dbraw/zinc/22/51/07/230225107.db2.gz DALFOBNRUDGZLQ-DOTOQJQBSA-N 1 3 305.466 2.105 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000422960052 230294964 /nfs/dbraw/zinc/29/49/64/230294964.db2.gz ALWGEKIZYISENB-ZBFHGGJFSA-N 1 3 311.433 2.173 20 0 DEADHO COc1cc([C@H](C)N[C@H]2CCCC[C@@H]2C[NH3+])ccc1OCCO ZINC000422975065 230301074 /nfs/dbraw/zinc/30/10/74/230301074.db2.gz SEZONUKRBBRKDY-IMJJTQAJSA-N 1 3 322.449 2.234 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCOc1cccc(C(F)(F)F)n1 ZINC000423013182 230317754 /nfs/dbraw/zinc/31/77/54/230317754.db2.gz MGHNBDAWNPLUQJ-QWRGUYRKSA-N 1 3 303.328 2.196 20 0 DEADHO Cc1ccccc1C[C@H](CO)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423060643 230331680 /nfs/dbraw/zinc/33/16/80/230331680.db2.gz OUHAOCKIAHFRNY-MAUKXSAKSA-N 1 3 313.445 2.411 20 0 DEADHO OC[C@@]1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1c1ccc(F)cc1 ZINC000423076340 230339865 /nfs/dbraw/zinc/33/98/65/230339865.db2.gz RBHMKCBNIRJYDZ-MPBYHJMHSA-N 1 3 304.409 2.164 20 0 DEADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1cccc(N2CCC2=O)c1 ZINC000423096883 230350500 /nfs/dbraw/zinc/35/05/00/230350500.db2.gz IJVMKIHDLAVCBT-KXBFYZLASA-N 1 3 323.440 2.471 20 0 DEADHO CC(C)([NH3+])CCC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000387017422 424912863 /nfs/dbraw/zinc/91/28/63/424912863.db2.gz CBDKNWQXOKNCLG-INIZCTEOSA-N 1 3 303.450 2.457 20 0 DEADHO C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1nnc2n1CCCCC2 ZINC000400969177 424923167 /nfs/dbraw/zinc/92/31/67/424923167.db2.gz OMGZRULPNDHVQY-ZQDZILKHSA-N 1 3 303.454 2.043 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC[N@@H+]1C ZINC000648726435 424898783 /nfs/dbraw/zinc/89/87/83/424898783.db2.gz PAISGGDXRWWUBI-NXHRZFHOSA-N 1 3 315.461 2.280 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC[N@H+]1C ZINC000648726435 424898785 /nfs/dbraw/zinc/89/87/85/424898785.db2.gz PAISGGDXRWWUBI-NXHRZFHOSA-N 1 3 315.461 2.280 20 0 DEADHO CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000316670643 424899452 /nfs/dbraw/zinc/89/94/52/424899452.db2.gz YAQAQEFINQPPQT-RDJZCZTQSA-N 1 3 305.466 2.417 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)N(C)C ZINC000649102139 424954695 /nfs/dbraw/zinc/95/46/95/424954695.db2.gz VMUHAYOLUZNOHO-FGTMMUONSA-N 1 3 317.477 2.034 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)N(C)C ZINC000649102139 424954697 /nfs/dbraw/zinc/95/46/97/424954697.db2.gz VMUHAYOLUZNOHO-FGTMMUONSA-N 1 3 317.477 2.034 20 0 DEADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000422748557 424987615 /nfs/dbraw/zinc/98/76/15/424987615.db2.gz VAVKDTJMMHDWII-ZVEIASASSA-N 1 3 300.402 2.152 20 0 DEADHO C[C@@H](CNC(=O)N(C)CCN1CCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000650643232 425029929 /nfs/dbraw/zinc/02/99/29/425029929.db2.gz YSSRADQJUXBOSY-SJORKVTESA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H](CNC(=O)N(C)CCN1CCCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000650643232 425029932 /nfs/dbraw/zinc/02/99/32/425029932.db2.gz YSSRADQJUXBOSY-SJORKVTESA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H](CNC(=O)N(C)CCN1CCCCC1)[N@@H+]1CCCC[C@H]1C ZINC000650642368 425030113 /nfs/dbraw/zinc/03/01/13/425030113.db2.gz ALFOZIXKJDDWBH-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H](CNC(=O)N(C)CCN1CCCCC1)[N@H+]1CCCC[C@H]1C ZINC000650642368 425030118 /nfs/dbraw/zinc/03/01/18/425030118.db2.gz ALFOZIXKJDDWBH-IAGOWNOFSA-N 1 3 324.513 2.377 20 0 DEADHO COc1cccc(C[C@H](C)NCc2ccc(C[NH3+])cc2F)n1 ZINC000650717436 425041038 /nfs/dbraw/zinc/04/10/38/425041038.db2.gz AIZBRMJQALRJLB-LBPRGKRZSA-N 1 3 303.381 2.409 20 0 DEADHO CCOc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)nc1 ZINC000650724054 425042224 /nfs/dbraw/zinc/04/22/24/425042224.db2.gz XPTVUZWFGCLYAL-QGTPRVQTSA-N 1 3 319.449 2.341 20 0 DEADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2cccc3c2OCO3)C1 ZINC000650722499 425042830 /nfs/dbraw/zinc/04/28/30/425042830.db2.gz VVHOMSIECPMAPR-VYDXJSESSA-N 1 3 318.417 2.276 20 0 DEADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000650757800 425048934 /nfs/dbraw/zinc/04/89/34/425048934.db2.gz BBXYEQDVTVQKST-AWEZNQCLSA-N 1 3 322.416 2.233 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@]3(CC3(F)F)C2)CC1 ZINC000649908410 425100199 /nfs/dbraw/zinc/10/01/99/425100199.db2.gz NNXARSMSVFSUFZ-OAHLLOKOSA-N 1 3 301.425 2.134 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@]3(CC3(F)F)C2)CC1 ZINC000649908410 425100202 /nfs/dbraw/zinc/10/02/02/425100202.db2.gz NNXARSMSVFSUFZ-OAHLLOKOSA-N 1 3 301.425 2.134 20 0 DEADHO CC(C)[N@H+](C)C[C@@H](O)CNCCc1cn(C)c2ccccc12 ZINC000656708508 425169351 /nfs/dbraw/zinc/16/93/51/425169351.db2.gz GUZYEPDEGRTKHO-INIZCTEOSA-N 1 3 303.450 2.012 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H](O)CNCCc1cn(C)c2ccccc12 ZINC000656708508 425169352 /nfs/dbraw/zinc/16/93/52/425169352.db2.gz GUZYEPDEGRTKHO-INIZCTEOSA-N 1 3 303.450 2.012 20 0 DEADHO C[C@@H](CNC(=O)NC[C@H]1CCN1C(C)(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000660641917 425185990 /nfs/dbraw/zinc/18/59/90/425185990.db2.gz LXPDUBPGPUUGCS-OWCLPIDISA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H](CNC(=O)NC[C@H]1CCN1C(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000660641917 425185996 /nfs/dbraw/zinc/18/59/96/425185996.db2.gz LXPDUBPGPUUGCS-OWCLPIDISA-N 1 3 324.513 2.279 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC3(CCCC3)CC2)C1 ZINC000656786853 425188690 /nfs/dbraw/zinc/18/86/90/425188690.db2.gz BJEGXEPTEWLULA-INIZCTEOSA-N 1 3 307.482 2.230 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCCC3(CCCC3)CC2)C1 ZINC000656786853 425188694 /nfs/dbraw/zinc/18/86/94/425188694.db2.gz BJEGXEPTEWLULA-INIZCTEOSA-N 1 3 307.482 2.230 20 0 DEADHO CN(C)c1ncc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000656784714 425188822 /nfs/dbraw/zinc/18/88/22/425188822.db2.gz GDXYDLPFYGETTD-AWEZNQCLSA-N 1 3 308.495 2.421 20 0 DEADHO CN(C)CCOc1ccc(CNC[C@]2(C)CCC[NH2+]C2)cc1 ZINC000666842304 425195424 /nfs/dbraw/zinc/19/54/24/425195424.db2.gz SADPBDDGRAMTRO-GOSISDBHSA-N 1 3 305.466 2.106 20 0 DEADHO Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@]3(CCN(C)C3)C2)cc1 ZINC000660654376 425195647 /nfs/dbraw/zinc/19/56/47/425195647.db2.gz HGZJYZGIDUSLBS-HKUYNNGSSA-N 1 3 318.461 2.152 20 0 DEADHO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@]3(CCN(C)C3)C2)cc1 ZINC000660654376 425195649 /nfs/dbraw/zinc/19/56/49/425195649.db2.gz HGZJYZGIDUSLBS-HKUYNNGSSA-N 1 3 318.461 2.152 20 0 DEADHO CCCN1CC[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000660675769 425203261 /nfs/dbraw/zinc/20/32/61/425203261.db2.gz MAAGVERFOAEBND-GJZGRUSLSA-N 1 3 312.502 2.136 20 0 DEADHO CC(C)OCC[C@@H](O)C[NH+]1CCC(NCc2ccccc2)CC1 ZINC000660675368 425203372 /nfs/dbraw/zinc/20/33/72/425203372.db2.gz JBVOSSQCSSBHCR-LJQANCHMSA-N 1 3 320.477 2.417 20 0 DEADHO OC[C@]1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCc2ccccc21 ZINC000651884758 425150699 /nfs/dbraw/zinc/15/06/99/425150699.db2.gz PGIIOPFRQUXNEU-ZHALLVOQSA-N 1 3 300.446 2.079 20 0 DEADHO OC[C@]1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCc2ccccc21 ZINC000651884758 425150700 /nfs/dbraw/zinc/15/07/00/425150700.db2.gz PGIIOPFRQUXNEU-ZHALLVOQSA-N 1 3 300.446 2.079 20 0 DEADHO COc1ccc([C@@H]([NH2+]C[C@H](O)CN(C)C(C)C)C2CC2)cc1 ZINC000656694515 425161709 /nfs/dbraw/zinc/16/17/09/425161709.db2.gz QRXGPPNDQYHHLM-WMZOPIPTSA-N 1 3 306.450 2.437 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000664178977 425324392 /nfs/dbraw/zinc/32/43/92/425324392.db2.gz NQZANOXLTSPMGY-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000664178977 425324395 /nfs/dbraw/zinc/32/43/95/425324395.db2.gz NQZANOXLTSPMGY-IRXDYDNUSA-N 1 3 324.513 2.377 20 0 DEADHO C[NH+](C)C1(CNC(=O)N[C@H]2CCCN3CCCC[C@H]23)CCCC1 ZINC000654349927 425330561 /nfs/dbraw/zinc/33/05/61/425330561.db2.gz SMWILJGMZSWSRB-JKSUJKDBSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H]1CCC[N@H+](CCNC(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000654374189 425335825 /nfs/dbraw/zinc/33/58/25/425335825.db2.gz LRSFPARGFQWEJV-IKGGRYGDSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000654374189 425335826 /nfs/dbraw/zinc/33/58/26/425335826.db2.gz LRSFPARGFQWEJV-IKGGRYGDSA-N 1 3 322.497 2.034 20 0 DEADHO CC(C)[C@H](CNC(=O)NC[C@H]1CCN1C(C)(C)C)[NH+]1CCCC1 ZINC000664003003 425285741 /nfs/dbraw/zinc/28/57/41/425285741.db2.gz DHZRAISFEFFCBA-CVEARBPZSA-N 1 3 324.513 2.279 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+][C@H]2C[C@H](O)C23CCC3)cc1 ZINC000657703199 425389572 /nfs/dbraw/zinc/38/95/72/425389572.db2.gz LZVXVMAIAAPHRK-IRXDYDNUSA-N 1 3 304.434 2.020 20 0 DEADHO Cc1cncc(CC[NH2+]Cc2ccc(OCCN(C)C)cc2)n1 ZINC000657712223 425390320 /nfs/dbraw/zinc/39/03/20/425390320.db2.gz OZYVMKUMIVHRFL-UHFFFAOYSA-N 1 3 314.433 2.058 20 0 DEADHO CCN(C(=O)NC1CCC(C[NH+](C)C)CC1)[C@@H]1CCN(CC)C1 ZINC000664504778 425398171 /nfs/dbraw/zinc/39/81/71/425398171.db2.gz JJHTXXLHRISTMP-OFLPRAFFSA-N 1 3 324.513 2.233 20 0 DEADHO O=C([C@H]1CCC[NH2+]CC1)N1CCN(CC2CCCCC2)CC1 ZINC000653108062 425405789 /nfs/dbraw/zinc/40/57/89/425405789.db2.gz HLSLBAHVSMDKML-KRWDZBQOSA-N 1 3 307.482 2.101 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)N(C)C)cc1 ZINC000653112073 425407790 /nfs/dbraw/zinc/40/77/90/425407790.db2.gz LBXIONWUESQKSE-BZSNNMDCSA-N 1 3 315.461 2.245 20 0 DEADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H](C)Cn1cncn1 ZINC000657833690 425408057 /nfs/dbraw/zinc/40/80/57/425408057.db2.gz BRTFAAVHVXSCPW-HNNXBMFYSA-N 1 3 301.438 2.297 20 0 DEADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H](C)Cn1cncn1 ZINC000657833690 425408061 /nfs/dbraw/zinc/40/80/61/425408061.db2.gz BRTFAAVHVXSCPW-HNNXBMFYSA-N 1 3 301.438 2.297 20 0 DEADHO CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000654729515 425426141 /nfs/dbraw/zinc/42/61/41/425426141.db2.gz UHPRKRCNVZFLIQ-IRXDYDNUSA-N 1 3 322.497 2.175 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000661515576 425432067 /nfs/dbraw/zinc/43/20/67/425432067.db2.gz TVBFZJLTHVWPIH-HNNXBMFYSA-N 1 3 324.513 2.375 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000661515576 425432069 /nfs/dbraw/zinc/43/20/69/425432069.db2.gz TVBFZJLTHVWPIH-HNNXBMFYSA-N 1 3 324.513 2.375 20 0 DEADHO CCn1cc([C@H](C)NCC2CC[NH+](C3CCOCC3)CC2)cn1 ZINC000658068753 425433158 /nfs/dbraw/zinc/43/31/58/425433158.db2.gz ZBILUIRQAAKFPS-HNNXBMFYSA-N 1 3 320.481 2.445 20 0 DEADHO C[C@H]([NH2+][C@@H](C)C1(CO)CC1)c1cccc(OCCN(C)C)c1 ZINC000658159918 425447967 /nfs/dbraw/zinc/44/79/67/425447967.db2.gz MALRLYKLHMVGNK-GJZGRUSLSA-N 1 3 306.450 2.439 20 0 DEADHO CCC[N@H+](C)CC(C)(C)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000664757575 425448630 /nfs/dbraw/zinc/44/86/30/425448630.db2.gz BATLYPXNDDFRPU-MRXNPFEDSA-N 1 3 324.513 2.423 20 0 DEADHO CCC[N@@H+](C)CC(C)(C)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000664757575 425448634 /nfs/dbraw/zinc/44/86/34/425448634.db2.gz BATLYPXNDDFRPU-MRXNPFEDSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H]([NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)C1(CO)CC1 ZINC000658160315 425449071 /nfs/dbraw/zinc/44/90/71/425449071.db2.gz NCEWWFYEHNVDRK-LSDHHAIUSA-N 1 3 306.450 2.439 20 0 DEADHO CC(C)(C)N1CCC([NH2+]CC(C)(C)[C@@]2(O)CCCOC2)CC1 ZINC000658307747 425471582 /nfs/dbraw/zinc/47/15/82/425471582.db2.gz BPHFMXULJLHPDN-GOSISDBHSA-N 1 3 312.498 2.407 20 0 DEADHO CC(C)(C)[NH+]1CCC(NCC(C)(C)[C@@]2(O)CCCOC2)CC1 ZINC000658307747 425471585 /nfs/dbraw/zinc/47/15/85/425471585.db2.gz BPHFMXULJLHPDN-GOSISDBHSA-N 1 3 312.498 2.407 20 0 DEADHO O[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000658348769 425474237 /nfs/dbraw/zinc/47/42/37/425474237.db2.gz REVRQDGKHUSHEE-FVVUREQNSA-N 1 3 300.446 2.400 20 0 DEADHO O[C@H]1C[C@H](N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000658348769 425474240 /nfs/dbraw/zinc/47/42/40/425474240.db2.gz REVRQDGKHUSHEE-FVVUREQNSA-N 1 3 300.446 2.400 20 0 DEADHO O[C@H]1C[C@H](N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000658348769 425474244 /nfs/dbraw/zinc/47/42/44/425474244.db2.gz REVRQDGKHUSHEE-FVVUREQNSA-N 1 3 300.446 2.400 20 0 DEADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@@H]1CCCCN1 ZINC000665240943 425527389 /nfs/dbraw/zinc/52/73/89/425527389.db2.gz WICKYLRXTZHCNV-APWZRJJASA-N 1 3 316.493 2.414 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(C4CC4)C3)CC2)CC1 ZINC000655098321 425499108 /nfs/dbraw/zinc/49/91/08/425499108.db2.gz RBOHOTVEGUAJGZ-UHFFFAOYSA-N 1 3 319.493 2.051 20 0 DEADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000665358371 425552575 /nfs/dbraw/zinc/55/25/75/425552575.db2.gz DYXMTPYDXFLHRR-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)N(C)C)cc1 ZINC000655445037 425568799 /nfs/dbraw/zinc/56/87/99/425568799.db2.gz GRWHGMADNQCOLU-JENIJYKNSA-N 1 3 315.461 2.104 20 0 DEADHO NC[C@H](NC(=O)[C@H]1C[C@]12CCC[NH2+]C2)c1ccc2ccccc2c1 ZINC000655457871 425572379 /nfs/dbraw/zinc/57/23/79/425572379.db2.gz GLQQUJAYMHQMPW-HBFSDRIKSA-N 1 3 323.440 2.346 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655469736 425575415 /nfs/dbraw/zinc/57/54/15/425575415.db2.gz ZBZILFBKMXSSOQ-RDJZCZTQSA-N 1 3 321.490 2.028 20 0 DEADHO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C[C@@H]1NCc2ccccc21 ZINC000659325978 425577816 /nfs/dbraw/zinc/57/78/16/425577816.db2.gz PSOPLSXHTGTISV-RBUKOAKNSA-N 1 3 321.424 2.306 20 0 DEADHO NC(=O)CCN(Cc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000662248509 425599811 /nfs/dbraw/zinc/59/98/11/425599811.db2.gz DKUMQBWCBJGPEZ-UHFFFAOYSA-N 1 3 323.440 2.210 20 0 DEADHO CC[N@H+](C[C@H]1CCC2(CNC2)O1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000662249561 425601234 /nfs/dbraw/zinc/60/12/34/425601234.db2.gz XBUOKKSBLJKQCJ-MAUKXSAKSA-N 1 3 318.461 2.469 20 0 DEADHO CC[N@@H+](C[C@H]1CCC2(CNC2)O1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000662249561 425601237 /nfs/dbraw/zinc/60/12/37/425601237.db2.gz XBUOKKSBLJKQCJ-MAUKXSAKSA-N 1 3 318.461 2.469 20 0 DEADHO COc1cccc(C[C@@H]2CCC[N@@H+]2C[C@@H]2CCC3(CNC3)O2)c1 ZINC000662254040 425602439 /nfs/dbraw/zinc/60/24/39/425602439.db2.gz YTSMQJOHKHIQAH-WMZOPIPTSA-N 1 3 316.445 2.223 20 0 DEADHO COc1cccc(C[C@@H]2CCC[N@H+]2C[C@@H]2CCC3(CNC3)O2)c1 ZINC000662254040 425602442 /nfs/dbraw/zinc/60/24/42/425602442.db2.gz YTSMQJOHKHIQAH-WMZOPIPTSA-N 1 3 316.445 2.223 20 0 DEADHO CCC[N@H+](C[C@@H]1CCC2(CNC2)O1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000662255997 425604881 /nfs/dbraw/zinc/60/48/81/425604881.db2.gz HHDOZPXGTWVGMV-ZJIFWQFVSA-N 1 3 308.466 2.033 20 0 DEADHO CCC[N@@H+](C[C@@H]1CCC2(CNC2)O1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000662255997 425604884 /nfs/dbraw/zinc/60/48/84/425604884.db2.gz HHDOZPXGTWVGMV-ZJIFWQFVSA-N 1 3 308.466 2.033 20 0 DEADHO CCN(C[C@@H]1CNCCO1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000662261373 425606377 /nfs/dbraw/zinc/60/63/77/425606377.db2.gz WTFNYIYJQAMYTA-WDSOQIARSA-N 1 3 317.477 2.132 20 0 DEADHO CCN(C[C@@H]1CNCCO1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000662261373 425606380 /nfs/dbraw/zinc/60/63/80/425606380.db2.gz WTFNYIYJQAMYTA-WDSOQIARSA-N 1 3 317.477 2.132 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2[NH2+]CCC2(C)C)cc1 ZINC000662410473 425644880 /nfs/dbraw/zinc/64/48/80/425644880.db2.gz KMGPODSAPMSKCF-HOTGVXAUSA-N 1 3 303.450 2.314 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000662421208 425647921 /nfs/dbraw/zinc/64/79/21/425647921.db2.gz VNTXSSPJNZSOKI-SJORKVTESA-N 1 3 303.450 2.155 20 0 DEADHO CN(C)[C@@H]1CCCN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)C1 ZINC000662438978 425651002 /nfs/dbraw/zinc/65/10/02/425651002.db2.gz GHROCEGGLAETMU-DLBZAZTESA-N 1 3 315.461 2.231 20 0 DEADHO CC[C@@H]([NH2+]C)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000662466074 425658175 /nfs/dbraw/zinc/65/81/75/425658175.db2.gz QUDLBXXUWACNFV-CYBMUJFWSA-N 1 3 313.829 2.217 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000662469176 425658222 /nfs/dbraw/zinc/65/82/22/425658222.db2.gz ZUOIMLJSQXSHFQ-SZMVWBNQSA-N 1 3 317.477 2.496 20 0 DEADHO CC[C@H](NC)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000662483087 425662554 /nfs/dbraw/zinc/66/25/54/425662554.db2.gz AETYQXNELNZCAP-YOEHRIQHSA-N 1 3 319.449 2.344 20 0 DEADHO CC[C@H](NC)C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000662483087 425662558 /nfs/dbraw/zinc/66/25/58/425662558.db2.gz AETYQXNELNZCAP-YOEHRIQHSA-N 1 3 319.449 2.344 20 0 DEADHO C[NH+](C)CCC1CCN([C@@H]2C[C@H]3CCCC[C@H]3NC2=O)CC1 ZINC000659852915 425669175 /nfs/dbraw/zinc/66/91/75/425669175.db2.gz QXYUQCMWIMIIBG-BRWVUGGUSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]([NH2+]C[C@@H]1CCC2(CNC2)O1)c1ccc(OC(F)F)cc1 ZINC000662281773 425612520 /nfs/dbraw/zinc/61/25/20/425612520.db2.gz LZVVNPQEAHDFKI-FZMZJTMJSA-N 1 3 312.360 2.460 20 0 DEADHO C[C@@H](NC(=O)N(C)CC(C)(C)[NH3+])[C@@H](c1ccccc1)N(C)C ZINC000659492415 425615080 /nfs/dbraw/zinc/61/50/80/425615080.db2.gz NETRIYBDNYNLFC-HIFRSBDPSA-N 1 3 306.454 2.057 20 0 DEADHO CC(C)CCNC(=O)[C@H](C)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294585 425615575 /nfs/dbraw/zinc/61/55/75/425615575.db2.gz CNDQFUHVFJSHOP-RDJZCZTQSA-N 1 3 309.498 2.249 20 0 DEADHO CC(C)N1CCC[C@@H](N2CCC([C@@H]3CCC[NH2+]C3)CC2)C1=O ZINC000662292567 425615891 /nfs/dbraw/zinc/61/58/91/425615891.db2.gz OCYCXXUPVFBSOW-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)CCNC(=O)[C@@H](C)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294586 425616626 /nfs/dbraw/zinc/61/66/26/425616626.db2.gz CNDQFUHVFJSHOP-WBVHZDCISA-N 1 3 309.498 2.249 20 0 DEADHO CC(C)=CCC[N@@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662335961 425627289 /nfs/dbraw/zinc/62/72/89/425627289.db2.gz BMDWKDPLLIUESW-MRXNPFEDSA-N 1 3 317.481 2.355 20 0 DEADHO CC(C)=CCC[N@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662335961 425627294 /nfs/dbraw/zinc/62/72/94/425627294.db2.gz BMDWKDPLLIUESW-MRXNPFEDSA-N 1 3 317.481 2.355 20 0 DEADHO CN(C)CCN(Cc1ccsc1)C(=O)NCC1([NH3+])CCCC1 ZINC000659577076 425631287 /nfs/dbraw/zinc/63/12/87/425631287.db2.gz IVMRMEALVOSQQV-UHFFFAOYSA-N 1 3 324.494 2.093 20 0 DEADHO C[C@@H](C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)N1CCC(C)CC1 ZINC000655703237 425633286 /nfs/dbraw/zinc/63/32/86/425633286.db2.gz NVEOMVNRQKHIJI-PKOBYXMFSA-N 1 3 323.525 2.340 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000665758705 425641013 /nfs/dbraw/zinc/64/10/13/425641013.db2.gz MPMDQDFDMUZYKS-GJZGRUSLSA-N 1 3 324.513 2.231 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000665758705 425641017 /nfs/dbraw/zinc/64/10/17/425641017.db2.gz MPMDQDFDMUZYKS-GJZGRUSLSA-N 1 3 324.513 2.231 20 0 DEADHO CC(C)C[C@H](C[NH3+])CC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000662563698 425682735 /nfs/dbraw/zinc/68/27/35/425682735.db2.gz IUWNLVDKMZMBOW-ZDUSSCGKSA-N 1 3 305.422 2.118 20 0 DEADHO C[NH2+]Cc1ccccc1CNC(=O)C[C@H]1NCc2ccccc21 ZINC000662584562 425686619 /nfs/dbraw/zinc/68/66/19/425686619.db2.gz PUSCUCYCZMRXSC-GOSISDBHSA-N 1 3 309.413 2.257 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C[C@@H](N)Cc2ccccc2)C1 ZINC000662589451 425687257 /nfs/dbraw/zinc/68/72/57/425687257.db2.gz CHAFJOLLBNFJPM-SJORKVTESA-N 1 3 317.477 2.183 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C[C@@H](N)Cc2ccccc2)C1 ZINC000662589451 425687260 /nfs/dbraw/zinc/68/72/60/425687260.db2.gz CHAFJOLLBNFJPM-SJORKVTESA-N 1 3 317.477 2.183 20 0 DEADHO CC1(C)CC[NH2+][C@H]1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000662666477 425707255 /nfs/dbraw/zinc/70/72/55/425707255.db2.gz SOKNGFULTQZVIE-SJORKVTESA-N 1 3 315.461 2.328 20 0 DEADHO CN(C[C@H]1CCOC1)CC1(C[N@H+](C)C[C@@H]2CCOC2)CCC1 ZINC000659988305 425707957 /nfs/dbraw/zinc/70/79/57/425707957.db2.gz UZMKHZSOSSYMIF-CALCHBBNSA-N 1 3 310.482 2.093 20 0 DEADHO CN(C[C@H]1CCOC1)CC1(C[N@@H+](C)C[C@@H]2CCOC2)CCC1 ZINC000659988305 425707958 /nfs/dbraw/zinc/70/79/58/425707958.db2.gz UZMKHZSOSSYMIF-CALCHBBNSA-N 1 3 310.482 2.093 20 0 DEADHO CN(C[C@@H]1CCOC1)CC1(C[N@H+](C)C[C@H]2CCOC2)CCC1 ZINC000659988305 425707961 /nfs/dbraw/zinc/70/79/61/425707961.db2.gz UZMKHZSOSSYMIF-CALCHBBNSA-N 1 3 310.482 2.093 20 0 DEADHO CN(C[C@@H]1CCOC1)CC1(C[N@@H+](C)C[C@H]2CCOC2)CCC1 ZINC000659988305 425707964 /nfs/dbraw/zinc/70/79/64/425707964.db2.gz UZMKHZSOSSYMIF-CALCHBBNSA-N 1 3 310.482 2.093 20 0 DEADHO CC(C)C[C@@H](CNC(=O)C[C@@H]1NCc2ccccc21)[NH+](C)C ZINC000662674107 425709504 /nfs/dbraw/zinc/70/95/04/425709504.db2.gz VJTMCGGCZOBMPX-RDJZCZTQSA-N 1 3 303.450 2.314 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662682652 425712231 /nfs/dbraw/zinc/71/22/31/425712231.db2.gz NDWLDMGKHSYOGD-GASCZTMLSA-N 1 3 307.482 2.132 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662682652 425712236 /nfs/dbraw/zinc/71/22/36/425712236.db2.gz NDWLDMGKHSYOGD-GASCZTMLSA-N 1 3 307.482 2.132 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)C2(NC3CC3)CCC2)C1 ZINC000662682189 425712927 /nfs/dbraw/zinc/71/29/27/425712927.db2.gz HXKPYVBHJJZHAZ-OAHLLOKOSA-N 1 3 307.482 2.289 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C2(NC3CC3)CCC2)C1 ZINC000662682189 425712928 /nfs/dbraw/zinc/71/29/28/425712928.db2.gz HXKPYVBHJJZHAZ-OAHLLOKOSA-N 1 3 307.482 2.289 20 0 DEADHO CC[C@H](N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662716042 425720793 /nfs/dbraw/zinc/72/07/93/425720793.db2.gz QIJWFXZOSIDFOW-IRXDYDNUSA-N 1 3 315.461 2.142 20 0 DEADHO CC[C@H](N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000662716042 425720795 /nfs/dbraw/zinc/72/07/95/425720795.db2.gz QIJWFXZOSIDFOW-IRXDYDNUSA-N 1 3 315.461 2.142 20 0 DEADHO C[C@@H]1C[C@H](N(C)C(=O)CC2([NH3+])CC2)CCN1Cc1ccccc1 ZINC000662727384 425723220 /nfs/dbraw/zinc/72/32/20/425723220.db2.gz WOCCNBABIKJGOI-NVXWUHKLSA-N 1 3 315.461 2.379 20 0 DEADHO CC1(C)CC[NH2+][C@@H]1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000662737949 425725711 /nfs/dbraw/zinc/72/57/11/425725711.db2.gz RTMNJRFHGVSUOT-IAGOWNOFSA-N 1 3 315.461 2.155 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](NCc2ccccc2CN2CCCC2=O)C1 ZINC000656193122 425726935 /nfs/dbraw/zinc/72/69/35/425726935.db2.gz PTCBQQVRRKTPDK-SJORKVTESA-N 1 3 301.434 2.169 20 0 DEADHO c1c([C@@H]2CCC[NH2+]C2)nnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000656455372 425772395 /nfs/dbraw/zinc/77/23/95/425772395.db2.gz FFJDQSHWXLPPOK-SJORKVTESA-N 1 3 311.433 2.192 20 0 DEADHO CO[C@H](C[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1)[C@H]1CCOC1 ZINC000660256972 425776788 /nfs/dbraw/zinc/77/67/88/425776788.db2.gz OZSCCSOSZOINOZ-XLMAVXFVSA-N 1 3 310.482 2.281 20 0 DEADHO CO[C@H](CN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[C@H]1CCOC1 ZINC000660256972 425776793 /nfs/dbraw/zinc/77/67/93/425776793.db2.gz OZSCCSOSZOINOZ-XLMAVXFVSA-N 1 3 310.482 2.281 20 0 DEADHO CO[C@H](CN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CCOC1 ZINC000660256972 425776798 /nfs/dbraw/zinc/77/67/98/425776798.db2.gz OZSCCSOSZOINOZ-XLMAVXFVSA-N 1 3 310.482 2.281 20 0 DEADHO C[C@@H](NCCN1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660256663 425777405 /nfs/dbraw/zinc/77/74/05/425777405.db2.gz MTZBBUSUERFNQX-XMTFNYHQSA-N 1 3 323.525 2.338 20 0 DEADHO C[C@@H](NCCN1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256663 425777408 /nfs/dbraw/zinc/77/74/08/425777408.db2.gz MTZBBUSUERFNQX-XMTFNYHQSA-N 1 3 323.525 2.338 20 0 DEADHO C[C@@H]([NH2+]CCN1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000660256663 425777411 /nfs/dbraw/zinc/77/74/11/425777411.db2.gz MTZBBUSUERFNQX-XMTFNYHQSA-N 1 3 323.525 2.338 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NCCCC[NH+]2CCC(C)CC2)C1 ZINC000660401602 425809071 /nfs/dbraw/zinc/80/90/71/425809071.db2.gz WCMXBIDRIACAMN-QGZVFWFLSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@@H]1CN(C2CCOCC2)CCN1CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000660428291 425811990 /nfs/dbraw/zinc/81/19/90/425811990.db2.gz CCNSMXIPOCHQOB-OKZBNKHCSA-N 1 3 323.525 2.149 20 0 DEADHO C[C@@H](C[NH2+]CC1(N2CCOCC2)CCN(C)CC1)C(C)(C)C ZINC000666407217 425747270 /nfs/dbraw/zinc/74/72/70/425747270.db2.gz WMQIIPGVVNRHQH-INIZCTEOSA-N 1 3 311.514 2.055 20 0 DEADHO CO[C@@H](C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1)C1CCC1 ZINC000660149206 425752232 /nfs/dbraw/zinc/75/22/32/425752232.db2.gz BOTXWIFBKURGKB-IBGZPJMESA-N 1 3 323.525 2.292 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1CCCCCC1 ZINC000663410687 425836731 /nfs/dbraw/zinc/83/67/31/425836731.db2.gz CVMCVHTUFNPBSN-HNNXBMFYSA-N 1 3 312.502 2.280 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1CCCCCC1 ZINC000663410687 425836733 /nfs/dbraw/zinc/83/67/33/425836733.db2.gz CVMCVHTUFNPBSN-HNNXBMFYSA-N 1 3 312.502 2.280 20 0 DEADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000370766521 269082598 /nfs/dbraw/zinc/08/25/98/269082598.db2.gz NDBDOEWLZBJVOZ-QGZVFWFLSA-N 1 3 315.461 2.381 20 0 DEADHO CN1CC=C(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000392184330 269099583 /nfs/dbraw/zinc/09/95/83/269099583.db2.gz BUKGPIQDAVECOE-UHFFFAOYSA-N 1 3 309.454 2.237 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@@H](N)C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000399073665 269110426 /nfs/dbraw/zinc/11/04/26/269110426.db2.gz OQMVJEFYGBLDQT-JLSDUUJJSA-N 1 3 315.461 2.283 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)[C@@H](N)C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000399073665 269110427 /nfs/dbraw/zinc/11/04/27/269110427.db2.gz OQMVJEFYGBLDQT-JLSDUUJJSA-N 1 3 315.461 2.283 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H](N)C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000399073667 269110537 /nfs/dbraw/zinc/11/05/37/269110537.db2.gz OQMVJEFYGBLDQT-OLMNPRSZSA-N 1 3 315.461 2.283 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)[C@@H](N)C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000399073667 269110539 /nfs/dbraw/zinc/11/05/39/269110539.db2.gz OQMVJEFYGBLDQT-OLMNPRSZSA-N 1 3 315.461 2.283 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000405323821 269113241 /nfs/dbraw/zinc/11/32/41/269113241.db2.gz BFTOTGUYRRMJIL-SPUZQDLCSA-N 1 3 315.461 2.141 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C2CCN(C3CC3)CC2)C[C@H]1C ZINC000426787968 269120574 /nfs/dbraw/zinc/12/05/74/269120574.db2.gz JEYREBBKWOJIPR-PBHICJAKSA-N 1 3 307.482 2.192 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)C2CCN(C3CC3)CC2)C[C@H]1C ZINC000426787968 269120575 /nfs/dbraw/zinc/12/05/75/269120575.db2.gz JEYREBBKWOJIPR-PBHICJAKSA-N 1 3 307.482 2.192 20 0 DEADHO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCC[C@@H]1CN ZINC000430551417 269134622 /nfs/dbraw/zinc/13/46/22/269134622.db2.gz HYTSAFLYYHFMSG-GFCCVEGCSA-N 1 3 311.813 2.100 20 0 DEADHO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCC[C@@H]1CN ZINC000430551417 269134624 /nfs/dbraw/zinc/13/46/24/269134624.db2.gz HYTSAFLYYHFMSG-GFCCVEGCSA-N 1 3 311.813 2.100 20 0 DEADHO O=C(Oc1ccccc1)N1CCC[C@H](N[C@@H]2CCC[NH2+]C2)CC1 ZINC000496180028 269204519 /nfs/dbraw/zinc/20/45/19/269204519.db2.gz UMDHLPNLLVHAOF-JKSUJKDBSA-N 1 3 317.433 2.382 20 0 DEADHO COC(=O)N1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000496490899 269223661 /nfs/dbraw/zinc/22/36/61/269223661.db2.gz MFGVNDMIXYUGOX-YESZJQIVSA-N 1 3 323.481 2.365 20 0 DEADHO O=C1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CN1 ZINC000499155551 269303590 /nfs/dbraw/zinc/30/35/90/269303590.db2.gz ZQIAKBRLZAOIFX-TVFCKZIOSA-N 1 3 313.445 2.050 20 0 DEADHO O=C1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CN1 ZINC000499155551 269303591 /nfs/dbraw/zinc/30/35/91/269303591.db2.gz ZQIAKBRLZAOIFX-TVFCKZIOSA-N 1 3 313.445 2.050 20 0 DEADHO COc1cc2c(cc1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1)O[C@@H](C)C2 ZINC000515615402 269352419 /nfs/dbraw/zinc/35/24/19/269352419.db2.gz ZWPYOPBTRSSQFV-AFAVFJNCSA-N 1 3 316.445 2.496 20 0 DEADHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](O)COc2ccccc2F)C1 ZINC000516761527 269368997 /nfs/dbraw/zinc/36/89/97/269368997.db2.gz IALXOJJINMYHEH-CVEARBPZSA-N 1 3 324.440 2.275 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N2C[C@@H](N)Cc3ccccc32)CC1 ZINC000424085828 273528978 /nfs/dbraw/zinc/52/89/78/273528978.db2.gz YQCUFYVRLFIDPS-INIZCTEOSA-N 1 3 301.434 2.023 20 0 DEADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2COCCO2)CC1 ZINC000449093962 274231256 /nfs/dbraw/zinc/23/12/56/274231256.db2.gz XQNJFDUBIWBSET-QFBILLFUSA-N 1 3 318.461 2.087 20 0 DEADHO CC(C)(N)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000236800787 275862036 /nfs/dbraw/zinc/86/20/36/275862036.db2.gz UQSDHHHTTOOOGY-UHFFFAOYSA-N 1 3 303.450 2.416 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000343571539 276011676 /nfs/dbraw/zinc/01/16/76/276011676.db2.gz BFIREYRIUHVLGN-IRXDYDNUSA-N 1 3 307.482 2.384 20 0 DEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000343571539 276011677 /nfs/dbraw/zinc/01/16/77/276011677.db2.gz BFIREYRIUHVLGN-IRXDYDNUSA-N 1 3 307.482 2.384 20 0 DEADHO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000353465051 276035465 /nfs/dbraw/zinc/03/54/65/276035465.db2.gz ZEWPXJMDDCJIIA-OPQOLIRYSA-N 1 3 321.509 2.343 20 0 DEADHO CC[NH+](CC)CC1CCN(C(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000261621405 276095478 /nfs/dbraw/zinc/09/54/78/276095478.db2.gz AYHNGWFNZXTTAL-GOSISDBHSA-N 1 3 317.477 2.137 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](O)[C@@H](C)C2)CC1 ZINC000428488189 276203450 /nfs/dbraw/zinc/20/34/50/276203450.db2.gz SAPNXSFTRZJFRH-LPHOPBHVSA-N 1 3 317.477 2.031 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@H](O)[C@@H](C)C2)CC1 ZINC000428488189 276203451 /nfs/dbraw/zinc/20/34/51/276203451.db2.gz SAPNXSFTRZJFRH-LPHOPBHVSA-N 1 3 317.477 2.031 20 0 DEADHO CCN1CCO[C@H](CNC2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000343390507 276212007 /nfs/dbraw/zinc/21/20/07/276212007.db2.gz DECWYOMYHJFFNJ-MOPGFXCFSA-N 1 3 317.477 2.132 20 0 DEADHO COCc1ccccc1/C=C(/C)C[NH2+]CC1(O)CCN(C)CC1 ZINC000352625131 277271112 /nfs/dbraw/zinc/27/11/12/277271112.db2.gz DPSYDPLSFPFEES-VBKFSLOCSA-N 1 3 318.461 2.283 20 0 DEADHO CNC[C@@H](C)C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000423278824 277274679 /nfs/dbraw/zinc/27/46/79/277274679.db2.gz RPXXHGKOHYDTSJ-WRSVWVKZSA-N 1 3 301.434 2.264 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)C(C)(C)[C@H](N)c2ccccc2)CC[N@@H+]1C ZINC000423396828 278018007 /nfs/dbraw/zinc/01/80/07/278018007.db2.gz BJBOLRDGBNUZAP-FVQBIDKESA-N 1 3 303.450 2.312 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)C(C)(C)[C@H](N)c2ccccc2)CC[N@H+]1C ZINC000423396828 278018010 /nfs/dbraw/zinc/01/80/10/278018010.db2.gz BJBOLRDGBNUZAP-FVQBIDKESA-N 1 3 303.450 2.312 20 0 DEADHO C[C@H](CCCC[NH3+])NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000418184266 278168768 /nfs/dbraw/zinc/16/87/68/278168768.db2.gz PRMMIMKPQYAUOT-HLLBOEOZSA-N 1 3 320.481 2.495 20 0 DEADHO CC(C)(C)N1CCC([NH2+][C@@H]2CCCc3c2cnn3CCO)CC1 ZINC000370677709 278342103 /nfs/dbraw/zinc/34/21/03/278342103.db2.gz YYYOVFXJKPERTA-MRXNPFEDSA-N 1 3 320.481 2.105 20 0 DEADHO CC[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(OC)c(OC)c1 ZINC000268951425 288038016 /nfs/dbraw/zinc/03/80/16/288038016.db2.gz CKBQUXSQKXVUMK-HNNXBMFYSA-N 1 3 322.449 2.201 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000079097320 278868897 /nfs/dbraw/zinc/86/88/97/278868897.db2.gz JMISUCLIOFVSQE-MRXNPFEDSA-N 1 3 324.513 2.280 20 0 DEADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000177842434 279038689 /nfs/dbraw/zinc/03/86/89/279038689.db2.gz PNCDFUMEHKSEPE-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000177842434 279038691 /nfs/dbraw/zinc/03/86/91/279038691.db2.gz PNCDFUMEHKSEPE-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000433947349 279149829 /nfs/dbraw/zinc/14/98/29/279149829.db2.gz CRQATWXYOAAXLW-DLBZAZTESA-N 1 3 322.497 2.129 20 0 DEADHO CCN1CCC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000361411951 279261873 /nfs/dbraw/zinc/26/18/73/279261873.db2.gz DFAMFMUAFKEAMY-HNNXBMFYSA-N 1 3 307.482 2.242 20 0 DEADHO CCN1CCC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000361411951 279261874 /nfs/dbraw/zinc/26/18/74/279261874.db2.gz DFAMFMUAFKEAMY-HNNXBMFYSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)[N@H+](C)CCNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000352721942 279357751 /nfs/dbraw/zinc/35/77/51/279357751.db2.gz MXMWSUXVIPBIOA-DOTOQJQBSA-N 1 3 320.481 2.317 20 0 DEADHO CC(C)[N@@H+](C)CCNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000352721942 279357753 /nfs/dbraw/zinc/35/77/53/279357753.db2.gz MXMWSUXVIPBIOA-DOTOQJQBSA-N 1 3 320.481 2.317 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000360132748 279361773 /nfs/dbraw/zinc/36/17/73/279361773.db2.gz ALMOONLGMICDPQ-CABCVRRESA-N 1 3 312.502 2.087 20 0 DEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000360132748 279361774 /nfs/dbraw/zinc/36/17/74/279361774.db2.gz ALMOONLGMICDPQ-CABCVRRESA-N 1 3 312.502 2.087 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCN([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000491080090 279363960 /nfs/dbraw/zinc/36/39/60/279363960.db2.gz RVGLYOAETRJBQM-NXOAAHMSSA-N 1 3 324.513 2.087 20 0 DEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCN([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000491080090 279363963 /nfs/dbraw/zinc/36/39/63/279363963.db2.gz RVGLYOAETRJBQM-NXOAAHMSSA-N 1 3 324.513 2.087 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCN([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000491080083 279364219 /nfs/dbraw/zinc/36/42/19/279364219.db2.gz RVGLYOAETRJBQM-HZMVEIRTSA-N 1 3 324.513 2.087 20 0 DEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCN([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000491080083 279364221 /nfs/dbraw/zinc/36/42/21/279364221.db2.gz RVGLYOAETRJBQM-HZMVEIRTSA-N 1 3 324.513 2.087 20 0 DEADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000311168987 279650379 /nfs/dbraw/zinc/65/03/79/279650379.db2.gz RROPXPYMVIDXKX-DGCLKSJQSA-N 1 3 315.259 2.143 20 0 DEADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000353526745 280068658 /nfs/dbraw/zinc/06/86/58/280068658.db2.gz SBQPAFFSKMJESU-HOTGVXAUSA-N 1 3 309.498 2.201 20 0 DEADHO O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCCN(C2CCCC2)CC1 ZINC000353444048 280112659 /nfs/dbraw/zinc/11/26/59/280112659.db2.gz HLMMMUYUCGMHMI-ZWKOTPCHSA-N 1 3 319.493 2.099 20 0 DEADHO C[C@](C[NH3+])(NCCC(=O)N[C@H]1CCCc2ccccc21)C1CC1 ZINC000433503745 280140014 /nfs/dbraw/zinc/14/00/14/280140014.db2.gz SHUAGOIQRGULEK-PKOBYXMFSA-N 1 3 315.461 2.287 20 0 DEADHO C[C@](C[NH3+])(NCCCc1nc(-c2cccs2)no1)C1CC1 ZINC000430574395 280140050 /nfs/dbraw/zinc/14/00/50/280140050.db2.gz SIUMYYXTFYXAQS-OAHLLOKOSA-N 1 3 306.435 2.448 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]1C1CC[NH2+]CC1)N1CCCCC1 ZINC000361112982 280185098 /nfs/dbraw/zinc/18/50/98/280185098.db2.gz WZEZFQLGSODEIU-IXDOHACOSA-N 1 3 307.482 2.001 20 0 DEADHO CCc1ccc([C@H](CNC(=O)NC[C@@H]([NH3+])C(C)C)N(C)C)cc1 ZINC000416839884 281425745 /nfs/dbraw/zinc/42/57/45/281425745.db2.gz KMGRXXVTCFVNGX-SJORKVTESA-N 1 3 320.481 2.134 20 0 DEADHO CC1CCN([C@@H](CNC(=O)[C@@H]2CC[NH2+]C2)c2ccccc2)CC1 ZINC000236652258 281835154 /nfs/dbraw/zinc/83/51/54/281835154.db2.gz ZZVTYVINOVRUGF-MSOLQXFVSA-N 1 3 315.461 2.185 20 0 DEADHO CN(C)C1(CNC(=O)NCCC[N@H+](C)C2CCCCC2)CCC1 ZINC000445850099 282035319 /nfs/dbraw/zinc/03/53/19/282035319.db2.gz PVNFFZBULCLASM-UHFFFAOYSA-N 1 3 324.513 2.425 20 0 DEADHO CN(C)C1(CNC(=O)NCCC[N@@H+](C)C2CCCCC2)CCC1 ZINC000445850099 282035320 /nfs/dbraw/zinc/03/53/20/282035320.db2.gz PVNFFZBULCLASM-UHFFFAOYSA-N 1 3 324.513 2.425 20 0 DEADHO CN(C)C[C@H](NC(=O)C[C@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000262501159 289207444 /nfs/dbraw/zinc/20/74/44/289207444.db2.gz MAJPEQOWAGSIRM-IKGGRYGDSA-N 1 3 303.450 2.313 20 0 DEADHO CN1CCC2(CCCN2C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000367433114 289299217 /nfs/dbraw/zinc/29/92/17/289299217.db2.gz SZYLFYJQLBBKKN-HZPDHXFCSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N1CCC[C@H](CC[NH3+])C1 ZINC000443057079 289328509 /nfs/dbraw/zinc/32/85/09/289328509.db2.gz FJHITXFJLCJFIW-BZUAXINKSA-N 1 3 315.461 2.414 20 0 DEADHO C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCCCCC1 ZINC000360126694 289375148 /nfs/dbraw/zinc/37/51/48/289375148.db2.gz VNAGACYENSHIOV-CVEARBPZSA-N 1 3 307.482 2.384 20 0 DEADHO C[C@H](C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)N1CCCCCC1 ZINC000360126694 289375151 /nfs/dbraw/zinc/37/51/51/289375151.db2.gz VNAGACYENSHIOV-CVEARBPZSA-N 1 3 307.482 2.384 20 0 DEADHO CN1CCC(C[NH2+][C@H]2CCCC(C)(C)C2)(N2CCOCC2)CC1 ZINC000414184402 289880131 /nfs/dbraw/zinc/88/01/31/289880131.db2.gz FUCUKIOGPMEFQW-KRWDZBQOSA-N 1 3 323.525 2.341 20 0 DEADHO CN1CCC([NH2+][C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000423362918 289887615 /nfs/dbraw/zinc/88/76/15/289887615.db2.gz INCILZRVVNRSAJ-WMLDXEAASA-N 1 3 309.404 2.094 20 0 DEADHO C[NH+]1CCC([C@@H]2CCN(C(=O)C3CCN(C4CC4)CC3)C2)CC1 ZINC000365126016 289889541 /nfs/dbraw/zinc/88/95/41/289889541.db2.gz RDHDJZGDECYZFP-QGZVFWFLSA-N 1 3 319.493 2.051 20 0 DEADHO COc1cc2[nH]c(CCC[NH2+][C@@H](C)C3CNC3)cc2c(OC)c1 ZINC000422861686 295028372 /nfs/dbraw/zinc/02/83/72/295028372.db2.gz JJOLHSVFRVTANH-LBPRGKRZSA-N 1 3 317.433 2.315 20 0 DEADHO COc1cc2[nH]c(CCCN[C@@H](C)C3C[NH2+]C3)cc2c(OC)c1 ZINC000422861686 295028376 /nfs/dbraw/zinc/02/83/76/295028376.db2.gz JJOLHSVFRVTANH-LBPRGKRZSA-N 1 3 317.433 2.315 20 0 DEADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)CC[C@@H](C)[NH3+])cc1 ZINC000423892935 295212873 /nfs/dbraw/zinc/21/28/73/295212873.db2.gz KRPHKLCRAZAXDI-RHSMWYFYSA-N 1 3 319.449 2.076 20 0 DEADHO COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N ZINC000423044592 295258527 /nfs/dbraw/zinc/25/85/27/295258527.db2.gz BPLHUQZJXCWQNX-OYYCAODRSA-N 1 3 318.461 2.457 20 0 DEADHO O=C(C[C@H]1CCC[NH2+]1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000165042497 295545165 /nfs/dbraw/zinc/54/51/65/295545165.db2.gz NBWZIJJIEVNLAY-SJORKVTESA-N 1 3 301.434 2.082 20 0 DEADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000261826655 297398261 /nfs/dbraw/zinc/39/82/61/297398261.db2.gz NXFASFQBJJNWFX-GDBMZVCRSA-N 1 3 301.434 2.092 20 0 DEADHO C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)N)COCc1ccccc1 ZINC000422772491 298785496 /nfs/dbraw/zinc/78/54/96/298785496.db2.gz ZCKMAHLUGJEBCP-JOCBIADPSA-N 1 3 306.450 2.181 20 0 DEADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000341283672 300235338 /nfs/dbraw/zinc/23/53/38/300235338.db2.gz CCBVQKPVBISJMZ-XJKSGUPXSA-N 1 3 322.497 2.031 20 0 DEADHO Cc1ccccc1[C@@H]1CCC[N@@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414677073 302150891 /nfs/dbraw/zinc/15/08/91/302150891.db2.gz OGPMQQSOCOUYRX-AEFFLSMTSA-N 1 3 315.461 2.329 20 0 DEADHO Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414677073 302150893 /nfs/dbraw/zinc/15/08/93/302150893.db2.gz OGPMQQSOCOUYRX-AEFFLSMTSA-N 1 3 315.461 2.329 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC1CC[NH2+]CC1)N(C)C ZINC000418188958 302204392 /nfs/dbraw/zinc/20/43/92/302204392.db2.gz VAMOHAMFFVRSQS-YOEHRIQHSA-N 1 3 318.465 2.037 20 0 DEADHO N[C@@H]1Cc2ccccc2N(C(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000424081656 303370400 /nfs/dbraw/zinc/37/04/00/303370400.db2.gz VWEKWFPSPKXXNB-OAHLLOKOSA-N 1 3 301.434 2.202 20 0 DEADHO [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000163888656 303489358 /nfs/dbraw/zinc/48/93/58/303489358.db2.gz LRTGXOGTWVVQQW-QAPCUYQASA-N 1 3 315.461 2.416 20 0 DEADHO CC(C)[C@@H](C(=O)NCc1ccc(C[NH3+])cc1)N1CCCCC1 ZINC000573850345 326098317 /nfs/dbraw/zinc/09/83/17/326098317.db2.gz IAYIJGUOTYZLSR-KRWDZBQOSA-N 1 3 303.450 2.272 20 0 DEADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)COc2cc(C)ccc2C)C1 ZINC000574632137 326172645 /nfs/dbraw/zinc/17/26/45/326172645.db2.gz OMQOZQSMVCZBIN-MSOLQXFVSA-N 1 3 320.477 2.365 20 0 DEADHO CC[N@H+](C)C[C@H](O)CN(C)C[C@@H](C)Cc1ccc(OC)cc1 ZINC000577289642 326355590 /nfs/dbraw/zinc/35/55/90/326355590.db2.gz CENONWLPCHCJFC-RDJZCZTQSA-N 1 3 308.466 2.118 20 0 DEADHO CC[N@@H+](C)C[C@H](O)CN(C)C[C@@H](C)Cc1ccc(OC)cc1 ZINC000577289642 326355591 /nfs/dbraw/zinc/35/55/91/326355591.db2.gz CENONWLPCHCJFC-RDJZCZTQSA-N 1 3 308.466 2.118 20 0 DEADHO COc1ccc(CN2CCC(C[NH2+][C@@H](C)[C@H](C)O)CC2)cc1 ZINC000584226683 331870232 /nfs/dbraw/zinc/87/02/32/331870232.db2.gz IIJLVCROKOOURA-GJZGRUSLSA-N 1 3 306.450 2.266 20 0 DEADHO CCc1cc(N2CCC[C@H]([NH2+][C@H]3CCCC[C@H]3CN)C2)ncn1 ZINC000584285783 332212918 /nfs/dbraw/zinc/21/29/18/332212918.db2.gz RMODPOCIEOSMIM-XIRDDKMYSA-N 1 3 317.481 2.115 20 0 DEADHO CCc1cc(N2CCC[C@H](N[C@H]3CCCC[C@H]3C[NH3+])C2)ncn1 ZINC000584285783 332212919 /nfs/dbraw/zinc/21/29/19/332212919.db2.gz RMODPOCIEOSMIM-XIRDDKMYSA-N 1 3 317.481 2.115 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000582120981 333299363 /nfs/dbraw/zinc/29/93/63/333299363.db2.gz CXVIURQVGWHPNT-SHTZXODSSA-N 1 3 303.450 2.243 20 0 DEADHO CN(C(=O)CCCC[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388517701 333319271 /nfs/dbraw/zinc/31/92/71/333319271.db2.gz PXUAFGZALWGGIK-QGZVFWFLSA-N 1 3 303.450 2.238 20 0 DEADHO CCN(C(=O)[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000582847383 337209890 /nfs/dbraw/zinc/20/98/90/337209890.db2.gz MJOOKWVSDNVSCE-BGTYHANMSA-N 1 3 315.461 2.408 20 0 DEADHO C[C@@H](CC[NH2+]C[C@@H](O)COc1ccc(F)cc1)N1CCCCC1 ZINC000583020744 337225779 /nfs/dbraw/zinc/22/57/79/337225779.db2.gz WOEBKHSZQLPRIV-DOTOQJQBSA-N 1 3 324.440 2.420 20 0 DEADHO CC[C@@H](C(=O)N1CCC([C@H](C)[NH2+]CCC2CC2)CC1)N(C)C ZINC001377602687 1160581429 /nfs/dbraw/zinc/58/14/29/1160581429.db2.gz BYKHNKYAYPIUOQ-YOEHRIQHSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]C/C=C\Cl)CC2)C1 ZINC001378453741 1152335436 /nfs/dbraw/zinc/33/54/36/1152335436.db2.gz UOBGETDKJNZJNG-OHKSOMOKSA-N 1 3 313.873 2.098 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001378636288 1152402859 /nfs/dbraw/zinc/40/28/59/1152402859.db2.gz LCGODIJFDNKBCK-KGLIPLIRSA-N 1 3 319.440 2.104 20 0 DEADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]CC2CCCCC2)C1)N(C)C ZINC001369577465 1149048754 /nfs/dbraw/zinc/04/87/54/1149048754.db2.gz DIZAMVPEKYDPKQ-JCYILVPMSA-N 1 3 309.498 2.486 20 0 DEADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]C/C=C\c2ccccc2)C1 ZINC001369582288 1149050778 /nfs/dbraw/zinc/05/07/78/1149050778.db2.gz INQHVIIXBUPHTN-YVMONPNESA-N 1 3 324.428 2.245 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)NC[C@H]([NH3+])C1CC1)c1ccccc1 ZINC000417694890 533784897 /nfs/dbraw/zinc/78/48/97/533784897.db2.gz AFBMNSLTVVYFIS-BBRMVZONSA-N 1 3 318.465 2.152 20 0 DEADHO C[C@H](NCCc1cc(Br)ccc1F)C1C[NH2+]C1 ZINC000422701947 533867646 /nfs/dbraw/zinc/86/76/46/533867646.db2.gz JOXUYYVNMJQTEP-VIFPVBQESA-N 1 3 301.203 2.328 20 0 DEADHO C[C@H]([NH2+]CCc1cc(Br)ccc1F)C1CNC1 ZINC000422701947 533867655 /nfs/dbraw/zinc/86/76/55/533867655.db2.gz JOXUYYVNMJQTEP-VIFPVBQESA-N 1 3 301.203 2.328 20 0 DEADHO C[C@@H](CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)N1CCC(C)CC1 ZINC000417315021 533967744 /nfs/dbraw/zinc/96/77/44/533967744.db2.gz RVJNPCQOBHZCQX-ULQDDVLXSA-N 1 3 324.513 2.171 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCOc1ccc(C(F)(F)F)cn1 ZINC000422995442 534068471 /nfs/dbraw/zinc/06/84/71/534068471.db2.gz XZYCQJWUBHBRND-YPMHNXCESA-N 1 3 317.355 2.457 20 0 DEADHO Cc1ccc(CN[C@H]2CCC[C@H]2C[NH3+])c(N2CCOCC2)c1 ZINC000422870302 534090504 /nfs/dbraw/zinc/09/05/04/534090504.db2.gz XOZNAXGMSLXCKP-RDJZCZTQSA-N 1 3 303.450 2.049 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCOC[C@@H]1CCCO1 ZINC000422793247 534349920 /nfs/dbraw/zinc/34/99/20/534349920.db2.gz WTZHSMAANDSIHE-CJNGLKHVSA-N 1 3 307.438 2.085 20 0 DEADHO C[C@@H]1CN(C(C)(C)CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000422797399 534436875 /nfs/dbraw/zinc/43/68/75/534436875.db2.gz MJUNRHQVOPADQI-MDMSPXHWSA-N 1 3 323.525 2.385 20 0 DEADHO CCCC[N@@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C(C)(C)C1 ZINC001368667638 1148561930 /nfs/dbraw/zinc/56/19/30/1148561930.db2.gz JOYDJVFSNLNDQQ-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C(C)(C)C1 ZINC001368667638 1148561943 /nfs/dbraw/zinc/56/19/43/1148561943.db2.gz JOYDJVFSNLNDQQ-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)C1 ZINC000163302591 521711320 /nfs/dbraw/zinc/71/13/20/521711320.db2.gz AHZLVAFIOOJAQO-JENIJYKNSA-N 1 3 316.493 2.223 20 0 DEADHO CCN1CC[C@H]([N@H+](C)CCCN2CCN(C(C)C)CC2)C[C@H]1C ZINC000337260335 521720163 /nfs/dbraw/zinc/72/01/63/521720163.db2.gz WWBBWWUMVBEACF-MOPGFXCFSA-N 1 3 324.557 2.207 20 0 DEADHO CCN1CC[C@H]([N@@H+](C)CCCN2CCN(C(C)C)CC2)C[C@H]1C ZINC000337260335 521720164 /nfs/dbraw/zinc/72/01/64/521720164.db2.gz WWBBWWUMVBEACF-MOPGFXCFSA-N 1 3 324.557 2.207 20 0 DEADHO CN(C)[C@H](CNC(=O)N(C)CC[NH+]1CCCC1)c1ccccc1 ZINC000112739829 522075022 /nfs/dbraw/zinc/07/50/22/522075022.db2.gz SDHTZSMJEZZJJG-QGZVFWFLSA-N 1 3 318.465 2.027 20 0 DEADHO C[NH+](C)CCCC(=O)NC1(C)CCN(CCC(F)(F)F)CC1 ZINC001402073754 1162236415 /nfs/dbraw/zinc/23/64/15/1162236415.db2.gz CMVQSTFYOPHDMF-UHFFFAOYSA-N 1 3 323.403 2.251 20 0 DEADHO CCn1nc(C)c(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c1C ZINC000105424508 523643661 /nfs/dbraw/zinc/64/36/61/523643661.db2.gz VOQBYFMVJRCPFI-HUUCEWRRSA-N 1 3 322.497 2.499 20 0 DEADHO C[C@@H](C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000248998639 524135037 /nfs/dbraw/zinc/13/50/37/524135037.db2.gz IEYGXNMWXYGFNC-OAGGEKHMSA-N 1 3 303.450 2.093 20 0 DEADHO C[C@H]([NH2+]CCn1ccnc1)c1ccc(OCCN(C)C)cc1 ZINC000155636900 525375982 /nfs/dbraw/zinc/37/59/82/525375982.db2.gz WKYLYXSMTVKLIE-HNNXBMFYSA-N 1 3 302.422 2.174 20 0 DEADHO C[C@@H]([NH2+]CCn1ccnc1)c1cccc(OCCN(C)C)c1 ZINC000155673431 525471423 /nfs/dbraw/zinc/47/14/23/525471423.db2.gz QILDATKSXNRBLG-OAHLLOKOSA-N 1 3 302.422 2.174 20 0 DEADHO O=C(N[C@@H]1CCC[NH2+]CC1)c1cccc(CN2CCCC2)c1 ZINC000364163412 526896887 /nfs/dbraw/zinc/89/68/87/526896887.db2.gz XVCNKYQRDLCGBJ-QGZVFWFLSA-N 1 3 301.434 2.154 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)C[C@H]1C ZINC000441291499 527824696 /nfs/dbraw/zinc/82/46/96/527824696.db2.gz WSUHIOMGQDYKDF-DLTWYDFYSA-N 1 3 322.497 2.126 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)C[C@H]1C ZINC000441291499 527824703 /nfs/dbraw/zinc/82/47/03/527824703.db2.gz WSUHIOMGQDYKDF-DLTWYDFYSA-N 1 3 322.497 2.126 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418367487 528085175 /nfs/dbraw/zinc/08/51/75/528085175.db2.gz LJWIIUOQKZMANT-MRXNPFEDSA-N 1 3 310.486 2.036 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)NCC2=CC[NH2+]CC2)cc1 ZINC000418362769 528131977 /nfs/dbraw/zinc/13/19/77/528131977.db2.gz VCSALCZGRAAXGM-KRWDZBQOSA-N 1 3 316.449 2.029 20 0 DEADHO CC(C)c1ccc([C@H](N)CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000423233276 528144881 /nfs/dbraw/zinc/14/48/81/528144881.db2.gz DIRGKDGZDXNSTC-BNEJOLLZSA-N 1 3 305.466 2.152 20 0 DEADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C[C@H]1COCCN1 ZINC000422840543 528172123 /nfs/dbraw/zinc/17/21/23/528172123.db2.gz TXZOCMNXBLLOKP-XSLAGTTESA-N 1 3 311.514 2.244 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]([NH3+])C1CC1)c1ccsc1 ZINC000417008311 528241403 /nfs/dbraw/zinc/24/14/03/528241403.db2.gz MDKBVRBWAJDKDV-GJZGRUSLSA-N 1 3 324.494 2.168 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418236946 528312612 /nfs/dbraw/zinc/31/26/12/528312612.db2.gz MZXCYKWQQYZXRQ-SJORKVTESA-N 1 3 324.513 2.328 20 0 DEADHO CC(C)[C@@H](COCc1ccccc1)[NH2+]C[C@@H]1CNCCCO1 ZINC000423495776 528488045 /nfs/dbraw/zinc/48/80/45/528488045.db2.gz VLPONVFIDICBON-ZWKOTPCHSA-N 1 3 306.450 2.196 20 0 DEADHO CCN(CCN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+])c1ccccc1C ZINC000422888052 528515399 /nfs/dbraw/zinc/51/53/99/528515399.db2.gz ZWXJJNVWSLDICE-YESZJQIVSA-N 1 3 305.466 2.163 20 0 DEADHO CC(C)[C@@H]([NH3+])CNC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000417708507 528521088 /nfs/dbraw/zinc/52/10/88/528521088.db2.gz SCYBSJRGZNUUOF-ZBFHGGJFSA-N 1 3 320.481 2.398 20 0 DEADHO CCN(Cc1ccc(C(=O)N2CC[C@@H](C[NH3+])C2)cc1)C1CC1 ZINC000429041725 528773144 /nfs/dbraw/zinc/77/31/44/528773144.db2.gz PYEJYUKNKPMWED-HNNXBMFYSA-N 1 3 301.434 2.092 20 0 DEADHO CC(C)N(C)CC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000299489928 528811603 /nfs/dbraw/zinc/81/16/03/528811603.db2.gz FYNMYOUEIAUBMK-UHFFFAOYSA-N 1 3 303.450 2.239 20 0 DEADHO CCC(CC)[C@@H](C[NH2+][C@H](C)[C@H]1CCCCN1)N1CCOCC1 ZINC000422817792 528822680 /nfs/dbraw/zinc/82/26/80/528822680.db2.gz INYKXZSWNCIOCR-KBAYOESNSA-N 1 3 311.514 2.244 20 0 DEADHO CC(C)N1CCC([N@H+](C)C[C@H](O)COc2ccccc2)CC1 ZINC000298172053 528990611 /nfs/dbraw/zinc/99/06/11/528990611.db2.gz RBPALRPNKZVNMF-KRWDZBQOSA-N 1 3 306.450 2.231 20 0 DEADHO CC(C)N1CCC([N@@H+](C)C[C@H](O)COc2ccccc2)CC1 ZINC000298172053 528990613 /nfs/dbraw/zinc/99/06/13/528990613.db2.gz RBPALRPNKZVNMF-KRWDZBQOSA-N 1 3 306.450 2.231 20 0 DEADHO CCN1CCN(Cc2ccc(N[C@H]3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000422924222 529149582 /nfs/dbraw/zinc/14/95/82/529149582.db2.gz TUXRVZWVKXRJFF-MJGOQNOKSA-N 1 3 316.493 2.363 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@@H](C)CCC[NH3+])c1ccco1 ZINC000418169519 529182031 /nfs/dbraw/zinc/18/20/31/529182031.db2.gz QCYPPTNSMYRQJT-IHRRRGAJSA-N 1 3 310.442 2.135 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)c1ccco1 ZINC000418159329 529182373 /nfs/dbraw/zinc/18/23/73/529182373.db2.gz CEFJHIXOMUJOFU-BYNSBNAKSA-N 1 3 322.453 2.088 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1)c1ccco1 ZINC000418166057 529183158 /nfs/dbraw/zinc/18/31/58/529183158.db2.gz KHACGHZHOKBFGH-LJISPDSOSA-N 1 3 322.453 2.135 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000372968106 536042686 /nfs/dbraw/zinc/04/26/86/536042686.db2.gz XPOCWEXJUKRAGQ-INIZCTEOSA-N 1 3 301.434 2.059 20 0 DEADHO CN(CCN1CCCC1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000361851202 536369965 /nfs/dbraw/zinc/36/99/65/536369965.db2.gz VGFLNSCGSHVFAT-UHFFFAOYSA-N 1 3 322.497 2.131 20 0 DEADHO COC[C@@H]1CCCN(C/C=C\C[N@@H+]2CCC[C@@H](COC)C2)C1 ZINC000255776224 536754043 /nfs/dbraw/zinc/75/40/43/536754043.db2.gz RBOFQIQNRNYVQQ-GRFNRIFCSA-N 1 3 310.482 2.259 20 0 DEADHO COC[C@@H]1CCCN(C/C=C\C[N@H+]2CCC[C@@H](COC)C2)C1 ZINC000255776224 536754046 /nfs/dbraw/zinc/75/40/46/536754046.db2.gz RBOFQIQNRNYVQQ-GRFNRIFCSA-N 1 3 310.482 2.259 20 0 DEADHO COc1cc(OC)c(OC)cc1CN1CCC[C@H](CC[NH3+])C1 ZINC000262027974 536866614 /nfs/dbraw/zinc/86/66/14/536866614.db2.gz YMUMYWHWFJURKN-CYBMUJFWSA-N 1 3 308.422 2.273 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccsc1)C(C)C)N(C)C ZINC001378988330 1152520248 /nfs/dbraw/zinc/52/02/48/1152520248.db2.gz JUTOUOYXQHTVRB-CABCVRRESA-N 1 3 311.495 2.319 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]CC1CC1)C1CC1 ZINC001379015031 1152532204 /nfs/dbraw/zinc/53/22/04/1152532204.db2.gz OJOAWDKPPAESOS-SJORKVTESA-N 1 3 307.482 2.096 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)NCc1nccs1 ZINC001368723651 1148617504 /nfs/dbraw/zinc/61/75/04/1148617504.db2.gz UNOINIUPMJOWPB-UONOGXRCSA-N 1 3 324.494 2.000 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)NCc1nccs1 ZINC001368723651 1148617512 /nfs/dbraw/zinc/61/75/12/1148617512.db2.gz UNOINIUPMJOWPB-UONOGXRCSA-N 1 3 324.494 2.000 20 0 DEADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001368737137 1148627261 /nfs/dbraw/zinc/62/72/61/1148627261.db2.gz PLICMFRCZGJJSC-YOEHRIQHSA-N 1 3 323.456 2.459 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC1CC(C)(C)C1)N(C)C ZINC001379278215 1152601036 /nfs/dbraw/zinc/60/10/36/1152601036.db2.gz ASDZFBHGWNOLFM-HOCLYGCPSA-N 1 3 311.514 2.445 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001379414969 1152620698 /nfs/dbraw/zinc/62/06/98/1152620698.db2.gz HUFXKCQEBHKFHE-DOMZBBRYSA-N 1 3 311.857 2.275 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c(C)c1 ZINC001379550483 1152640781 /nfs/dbraw/zinc/64/07/81/1152640781.db2.gz JSCXYQOJYTUGBA-FUHWJXTLSA-N 1 3 319.493 2.484 20 0 DEADHO C[C@@H]1[C@@H](NCCF)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001379555656 1152641760 /nfs/dbraw/zinc/64/17/60/1152641760.db2.gz PNCWXEWEJLUCPO-ZBFHGGJFSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H]1[C@@H](NCCF)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001379555656 1152641763 /nfs/dbraw/zinc/64/17/63/1152641763.db2.gz PNCWXEWEJLUCPO-ZBFHGGJFSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+]CC2CCCCC2)C1 ZINC001368825706 1148692723 /nfs/dbraw/zinc/69/27/23/1148692723.db2.gz OZBMWCARXMNIGA-UHFFFAOYSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@H](F)CC[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC001369436590 1148987002 /nfs/dbraw/zinc/98/70/02/1148987002.db2.gz LTKBQWXWKSESSX-ZFWWWQNUSA-N 1 3 313.461 2.045 20 0 DEADHO C[C@@H](NCc1cncs1)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001381445666 1153065250 /nfs/dbraw/zinc/06/52/50/1153065250.db2.gz GIPCKUQZMMIRHQ-KGLIPLIRSA-N 1 3 324.494 2.002 20 0 DEADHO CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001008053519 625318232 /nfs/dbraw/zinc/31/82/32/625318232.db2.gz VJBIRNPDMHIEBI-DLBZAZTESA-N 1 3 307.482 2.242 20 0 DEADHO CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001008053519 625318234 /nfs/dbraw/zinc/31/82/34/625318234.db2.gz VJBIRNPDMHIEBI-DLBZAZTESA-N 1 3 307.482 2.242 20 0 DEADHO CN(CC(=O)N1CCC[C@H](C[NH2+]CC2CCC2)C1)C1CCC1 ZINC001024017950 625544663 /nfs/dbraw/zinc/54/46/63/625544663.db2.gz IZVPCWLGVCUMEG-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO O=C(N1CC[C@@H](NCc2ccsc2)C1)C12CCC[NH+]1CCC2 ZINC000969197198 622617432 /nfs/dbraw/zinc/61/74/32/622617432.db2.gz AIOBRINUNOMKBT-OAHLLOKOSA-N 1 3 319.474 2.067 20 0 DEADHO Cc1cccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC000969588692 622830322 /nfs/dbraw/zinc/83/03/22/622830322.db2.gz QVKHOBOYBMITPS-CGTJXYLNSA-N 1 3 315.461 2.341 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(CC=C(C)C)C2)CC[N@@H+]1C ZINC000969705781 622890672 /nfs/dbraw/zinc/89/06/72/622890672.db2.gz DITVMKYBESODSO-BHYGNILZSA-N 1 3 307.482 2.119 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(CC=C(C)C)C2)CC[N@H+]1C ZINC000969705781 622890676 /nfs/dbraw/zinc/89/06/76/622890676.db2.gz DITVMKYBESODSO-BHYGNILZSA-N 1 3 307.482 2.119 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(CC=C(C)C)C1 ZINC000969792803 622922928 /nfs/dbraw/zinc/92/29/28/622922928.db2.gz LPEXLEMFBDAHNE-RDJZCZTQSA-N 1 3 307.482 2.264 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(CC=C(C)C)C1 ZINC000969792803 622922929 /nfs/dbraw/zinc/92/29/29/622922929.db2.gz LPEXLEMFBDAHNE-RDJZCZTQSA-N 1 3 307.482 2.264 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)cc1 ZINC001020585374 622925270 /nfs/dbraw/zinc/92/52/70/622925270.db2.gz UPCPWHGZQUZIEY-KBAYOESNSA-N 1 3 315.461 2.216 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001020586684 622927620 /nfs/dbraw/zinc/92/76/20/622927620.db2.gz VVZRIPHJWWCLLZ-KBRIMQKVSA-N 1 3 319.424 2.047 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC000969947785 623013424 /nfs/dbraw/zinc/01/34/24/623013424.db2.gz HJFYUTHYXBNQTD-GOEBONIOSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC000969959553 623021403 /nfs/dbraw/zinc/02/14/03/623021403.db2.gz MIDUVDKAVDIXKU-FUHWJXTLSA-N 1 3 315.461 2.027 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2csc(C)c2)C1)N(C)C ZINC000969985137 623038066 /nfs/dbraw/zinc/03/80/66/623038066.db2.gz CDVDAWAKCFPDCF-CABCVRRESA-N 1 3 309.479 2.087 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001021254206 623453499 /nfs/dbraw/zinc/45/34/99/623453499.db2.gz HYHKLMPMEAUURD-FBVQUNGASA-N 1 3 319.493 2.381 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001021254206 623453501 /nfs/dbraw/zinc/45/35/01/623453501.db2.gz HYHKLMPMEAUURD-FBVQUNGASA-N 1 3 319.493 2.381 20 0 DEADHO CCc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000970719824 623641768 /nfs/dbraw/zinc/64/17/68/623641768.db2.gz LNOHEJNFGFPRGP-GOSISDBHSA-N 1 3 315.461 2.035 20 0 DEADHO CC(C)C[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000970782437 623681785 /nfs/dbraw/zinc/68/17/85/623681785.db2.gz QRZIYADSVCKBEP-QGZVFWFLSA-N 1 3 303.450 2.208 20 0 DEADHO C[C@H](NC(=O)c1cccc(CN(C)C)c1)C1C[NH+](CC2CC2)C1 ZINC000970918004 623790616 /nfs/dbraw/zinc/79/06/16/623790616.db2.gz QRECVPOWMAANLM-AWEZNQCLSA-N 1 3 315.461 2.208 20 0 DEADHO CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021667598 623923010 /nfs/dbraw/zinc/92/30/10/623923010.db2.gz GBOMWCKJKGUSIY-SJORKVTESA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021667598 623923015 /nfs/dbraw/zinc/92/30/15/623923015.db2.gz GBOMWCKJKGUSIY-SJORKVTESA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021679536 623946627 /nfs/dbraw/zinc/94/66/27/623946627.db2.gz OWDHEYCYTVZCGR-GOEBONIOSA-N 1 3 304.438 2.065 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021679536 623946630 /nfs/dbraw/zinc/94/66/30/623946630.db2.gz OWDHEYCYTVZCGR-GOEBONIOSA-N 1 3 304.438 2.065 20 0 DEADHO Cc1cccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c1 ZINC000971199808 624068177 /nfs/dbraw/zinc/06/81/77/624068177.db2.gz ADCLJUIHXJZXBL-MSOLQXFVSA-N 1 3 315.461 2.122 20 0 DEADHO Cc1cccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c1 ZINC000971199808 624068180 /nfs/dbraw/zinc/06/81/80/624068180.db2.gz ADCLJUIHXJZXBL-MSOLQXFVSA-N 1 3 315.461 2.122 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N(C)[C@H]2CCCN(C)C2)C1 ZINC000891903351 624655096 /nfs/dbraw/zinc/65/50/96/624655096.db2.gz KCRJBPBNHHLEJE-SJORKVTESA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(C)[C@H]2CCCN(C)C2)C1 ZINC000891903351 624655101 /nfs/dbraw/zinc/65/51/01/624655101.db2.gz KCRJBPBNHHLEJE-SJORKVTESA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001022712257 624863802 /nfs/dbraw/zinc/86/38/02/624863802.db2.gz NSWUBVAXXMNXML-BMFZPTHFSA-N 1 3 307.482 2.144 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001022716844 624869998 /nfs/dbraw/zinc/86/99/98/624869998.db2.gz KAJLPIMXABAFTK-RYQLBKOJSA-N 1 3 319.493 2.456 20 0 DEADHO CC1CC(C[N@H+](C)[C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000972337718 624933343 /nfs/dbraw/zinc/93/33/43/624933343.db2.gz BOTSJJYKUBXDHR-JCYILVPMSA-N 1 3 321.509 2.297 20 0 DEADHO CC1CC(C[N@@H+](C)[C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000972337718 624933344 /nfs/dbraw/zinc/93/33/44/624933344.db2.gz BOTSJJYKUBXDHR-JCYILVPMSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC2CCCCC2)C1)N(C)C ZINC000972355231 624939725 /nfs/dbraw/zinc/93/97/25/624939725.db2.gz TUKORGZEYBBTOE-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2CCCCC2)C1)N(C)C ZINC000972355231 624939727 /nfs/dbraw/zinc/93/97/27/624939727.db2.gz TUKORGZEYBBTOE-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCCCCC1 ZINC001026088675 625130880 /nfs/dbraw/zinc/13/08/80/625130880.db2.gz NHZFQYUUNMPAEU-NNPSNHGLSA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCCCCC1 ZINC001026088675 625130882 /nfs/dbraw/zinc/13/08/82/625130882.db2.gz NHZFQYUUNMPAEU-NNPSNHGLSA-N 1 3 321.509 2.343 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001025098115 625208022 /nfs/dbraw/zinc/20/80/22/625208022.db2.gz KCUPPGKFYQHZQB-MRXNPFEDSA-N 1 3 304.438 2.113 20 0 DEADHO CCC1([NH3+])CCN(C(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000892924835 625719522 /nfs/dbraw/zinc/71/95/22/625719522.db2.gz KVQMQSVOCYYEAX-UHFFFAOYSA-N 1 3 322.497 2.260 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001000197592 634786003 /nfs/dbraw/zinc/78/60/03/634786003.db2.gz ITEGWTAULTVJOT-AEFFLSMTSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC2=CCCCC2)C1)N(C)C ZINC001000216747 634797600 /nfs/dbraw/zinc/79/76/00/634797600.db2.gz DSVNETSCOGRBFM-SJORKVTESA-N 1 3 307.482 2.408 20 0 DEADHO Cc1cnc(Cl)c(CN[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000921733855 634813820 /nfs/dbraw/zinc/81/38/20/634813820.db2.gz RGLYWDMTZZXUEZ-HNNXBMFYSA-N 1 3 322.884 2.302 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]CC2CCCCC2)C1)C1CC1 ZINC001026888946 633242530 /nfs/dbraw/zinc/24/25/30/633242530.db2.gz POPLQCZGZVGHCO-SJLPKXTDSA-N 1 3 321.509 2.345 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1)C1CC1 ZINC001026888939 633242849 /nfs/dbraw/zinc/24/28/49/633242849.db2.gz PHZACOIBQVDYLB-YOEHRIQHSA-N 1 3 321.509 2.201 20 0 DEADHO CN1C(=O)c2ccccc2[C@@H]1CN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925716074 633444803 /nfs/dbraw/zinc/44/48/03/633444803.db2.gz ADHVJMANYQTBBU-ZENOOKHLSA-N 1 3 301.434 2.309 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000996993091 633554458 /nfs/dbraw/zinc/55/44/58/633554458.db2.gz AHAQVEVAXHHSDY-INIZCTEOSA-N 1 3 315.461 2.252 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC2CCCC2)CC1 ZINC000997611998 633899972 /nfs/dbraw/zinc/89/99/72/633899972.db2.gz IQZSLHODKOUFSM-KRWDZBQOSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001027879460 634849209 /nfs/dbraw/zinc/84/92/09/634849209.db2.gz SJQHIAVOZXNWBT-DLBZAZTESA-N 1 3 307.482 2.406 20 0 DEADHO CC(C)=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001027879460 634849212 /nfs/dbraw/zinc/84/92/12/634849212.db2.gz SJQHIAVOZXNWBT-DLBZAZTESA-N 1 3 307.482 2.406 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCC1 ZINC001027985619 635168686 /nfs/dbraw/zinc/16/86/86/635168686.db2.gz LZBNVBPDMOYFMI-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCC1 ZINC001027985619 635168692 /nfs/dbraw/zinc/16/86/92/635168692.db2.gz LZBNVBPDMOYFMI-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CCC[N@H+](CCC(C)C)CC1 ZINC000981282963 635421089 /nfs/dbraw/zinc/42/10/89/635421089.db2.gz MAOWQUJGHCHOKH-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CCC[N@@H+](CCC(C)C)CC1 ZINC000981282963 635421092 /nfs/dbraw/zinc/42/10/92/635421092.db2.gz MAOWQUJGHCHOKH-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[N@H+](C[C@H](C)CC)CC1 ZINC000981282895 635421582 /nfs/dbraw/zinc/42/15/82/635421582.db2.gz JPIRHGBBKCAMJT-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[N@@H+](C[C@H](C)CC)CC1 ZINC000981282895 635421587 /nfs/dbraw/zinc/42/15/87/635421587.db2.gz JPIRHGBBKCAMJT-IAGOWNOFSA-N 1 3 309.498 2.441 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC1=CC[N@H+](CCC2CC2)CC1 ZINC001001471500 635504721 /nfs/dbraw/zinc/50/47/21/635504721.db2.gz JKUGBGGZBGKWLB-SFHVURJKSA-N 1 3 319.493 2.409 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC1=CC[N@@H+](CCC2CC2)CC1 ZINC001001471500 635504726 /nfs/dbraw/zinc/50/47/26/635504726.db2.gz JKUGBGGZBGKWLB-SFHVURJKSA-N 1 3 319.493 2.409 20 0 DEADHO CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000981540794 635523192 /nfs/dbraw/zinc/52/31/92/635523192.db2.gz GUXINENFLVAOGJ-CVEARBPZSA-N 1 3 303.450 2.399 20 0 DEADHO CC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000981768306 635636775 /nfs/dbraw/zinc/63/67/75/635636775.db2.gz GSZPNPIDIVTZML-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CC[N@H+]1CCCC2(CN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000981768306 635636778 /nfs/dbraw/zinc/63/67/78/635636778.db2.gz GSZPNPIDIVTZML-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC1CC[NH+](CC2CC(C)C2)CC1 ZINC001002793685 635799653 /nfs/dbraw/zinc/79/96/53/635799653.db2.gz ZOUYAPWXQOIZQN-LEOMRAHMSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)C[N@@H+]1CCCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000982011875 635809628 /nfs/dbraw/zinc/80/96/28/635809628.db2.gz LVINOQHODBNFKQ-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)C[N@H+]1CCCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000982011875 635809631 /nfs/dbraw/zinc/80/96/31/635809631.db2.gz LVINOQHODBNFKQ-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@H](C(=O)N1C[C@]2(C)C[N@H+](CC(C)C)C[C@]2(C)C1)N(C)C ZINC000982306290 635959844 /nfs/dbraw/zinc/95/98/44/635959844.db2.gz OYTWRBVHBKFSBX-NXHRZFHOSA-N 1 3 309.498 2.153 20 0 DEADHO CC[C@H](C(=O)N1C[C@]2(C)C[N@@H+](CC(C)C)C[C@]2(C)C1)N(C)C ZINC000982306290 635959845 /nfs/dbraw/zinc/95/98/45/635959845.db2.gz OYTWRBVHBKFSBX-NXHRZFHOSA-N 1 3 309.498 2.153 20 0 DEADHO COC(=O)c1ccc(CNCC[C@H]2CCC[N@H+](C)C2)c(F)c1 ZINC000922181683 635973329 /nfs/dbraw/zinc/97/33/29/635973329.db2.gz XIMJFEUFOWJJKX-CYBMUJFWSA-N 1 3 308.397 2.434 20 0 DEADHO COC(=O)c1ccc(CNCC[C@H]2CCC[N@@H+](C)C2)c(F)c1 ZINC000922181683 635973333 /nfs/dbraw/zinc/97/33/33/635973333.db2.gz XIMJFEUFOWJJKX-CYBMUJFWSA-N 1 3 308.397 2.434 20 0 DEADHO Cc1ccnc(-c2n[nH]c([C@@H](C)NCC3CC[NH+](C)CC3)n2)c1 ZINC000894102286 636132974 /nfs/dbraw/zinc/13/29/74/636132974.db2.gz VUXZVPSSZDEQDG-CYBMUJFWSA-N 1 3 314.437 2.168 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC001028333596 636133233 /nfs/dbraw/zinc/13/32/33/636133233.db2.gz OSUFUISOVQSCDS-MRXNPFEDSA-N 1 3 303.450 2.351 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC001028333596 636133235 /nfs/dbraw/zinc/13/32/35/636133235.db2.gz OSUFUISOVQSCDS-MRXNPFEDSA-N 1 3 303.450 2.351 20 0 DEADHO CC[NH+](CC)C[C@H]1CCN(C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000894105256 636145642 /nfs/dbraw/zinc/14/56/42/636145642.db2.gz NPINUBANQNLAQZ-HZPDHXFCSA-N 1 3 322.497 2.010 20 0 DEADHO COc1ccccc1CN[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922390150 636153083 /nfs/dbraw/zinc/15/30/83/636153083.db2.gz XTGKHNJUKFOOFB-FPAYPSAMSA-N 1 3 318.461 2.265 20 0 DEADHO COc1ccccc1CN[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922390150 636153088 /nfs/dbraw/zinc/15/30/88/636153088.db2.gz XTGKHNJUKFOOFB-FPAYPSAMSA-N 1 3 318.461 2.265 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(C)s3)C2)[C@@H]1C(C)C ZINC000922394451 636155724 /nfs/dbraw/zinc/15/57/24/636155724.db2.gz WIHXZFVAFUXEOJ-WCXIOVBPSA-N 1 3 323.506 2.411 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(C)s3)C2)[C@@H]1C(C)C ZINC000922394451 636155727 /nfs/dbraw/zinc/15/57/27/636155727.db2.gz WIHXZFVAFUXEOJ-WCXIOVBPSA-N 1 3 323.506 2.411 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3ccc(C)cn3)C2)[C@@H]1C(C)C ZINC000922395664 636157305 /nfs/dbraw/zinc/15/73/05/636157305.db2.gz YGGBOXNHJLJSCK-AKHDSKFASA-N 1 3 317.477 2.349 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3ccc(C)cn3)C2)[C@@H]1C(C)C ZINC000922395664 636157309 /nfs/dbraw/zinc/15/73/09/636157309.db2.gz YGGBOXNHJLJSCK-AKHDSKFASA-N 1 3 317.477 2.349 20 0 DEADHO C[N@@H+]1CC[C@@H](NC[C@@H]2CCCN2CC(F)(F)F)CC1(C)C ZINC000922705152 636337358 /nfs/dbraw/zinc/33/73/58/636337358.db2.gz FDPVGPMUGOORAL-OLZOCXBDSA-N 1 3 307.404 2.476 20 0 DEADHO C[N@H+]1CC[C@@H](NC[C@@H]2CCCN2CC(F)(F)F)CC1(C)C ZINC000922705152 636337362 /nfs/dbraw/zinc/33/73/62/636337362.db2.gz FDPVGPMUGOORAL-OLZOCXBDSA-N 1 3 307.404 2.476 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cccc3c2NCCC3)CC1 ZINC000894175350 636391463 /nfs/dbraw/zinc/39/14/63/636391463.db2.gz HEUFGSUTAROIIO-INIZCTEOSA-N 1 3 316.493 2.160 20 0 DEADHO COc1ccc2nccc(N3C[C@@H](C)[N@H+](CCO)C[C@H]3C)c2c1 ZINC000894232499 636512151 /nfs/dbraw/zinc/51/21/51/636512151.db2.gz DITHCZAOHCZOJH-ZIAGYGMSSA-N 1 3 315.417 2.135 20 0 DEADHO COc1ccc2nccc(N3C[C@@H](C)[N@@H+](CCO)C[C@H]3C)c2c1 ZINC000894232499 636512153 /nfs/dbraw/zinc/51/21/53/636512153.db2.gz DITHCZAOHCZOJH-ZIAGYGMSSA-N 1 3 315.417 2.135 20 0 DEADHO CC(=O)NCCN(Cc1ccc(C)s1)CC1CC[NH+](C)CC1 ZINC000894266028 636608381 /nfs/dbraw/zinc/60/83/81/636608381.db2.gz YZDFQJFNGQCEMH-UHFFFAOYSA-N 1 3 323.506 2.336 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CCC3)C[C@H]2CC1)N(C)C ZINC000946784099 636649699 /nfs/dbraw/zinc/64/96/99/636649699.db2.gz BSQGOGGMSQUXCE-KSZLIROESA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC3CCC3)C[C@H]2CC1)N(C)C ZINC000946784099 636649704 /nfs/dbraw/zinc/64/97/04/636649704.db2.gz BSQGOGGMSQUXCE-KSZLIROESA-N 1 3 321.509 2.297 20 0 DEADHO CCC(CC)[NH2+]CCNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000894457542 637047947 /nfs/dbraw/zinc/04/79/47/637047947.db2.gz CVPNCQHZQLVFSG-MRXNPFEDSA-N 1 3 310.486 2.081 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)CN2CCC[C@H]2C)CC1 ZINC001005992716 637048534 /nfs/dbraw/zinc/04/85/34/637048534.db2.gz VGAOKOSBHKIZRZ-HZPDHXFCSA-N 1 3 309.498 2.440 20 0 DEADHO CCCC[NH+]1CCC(N(C)C(=O)CN2CCC(C)(C)C2)CC1 ZINC001006002611 637063136 /nfs/dbraw/zinc/06/31/36/637063136.db2.gz ZDBBYIYYUWJXFA-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)[C@](C)(C[NH3+])NC[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000923297046 637097685 /nfs/dbraw/zinc/09/76/85/637097685.db2.gz XAYHBMSXTKGEBU-QRQLOZEOSA-N 1 3 320.477 2.405 20 0 DEADHO c1ccc([C@H]2CN(C[C@@H]3CC4(C[NH2+]C4)CO3)CCS2)cc1 ZINC000923316503 637107016 /nfs/dbraw/zinc/10/70/16/637107016.db2.gz VFAGLLQSCUAIRU-JKSUJKDBSA-N 1 3 304.459 2.155 20 0 DEADHO CN(CCCc1cc(-c2ccccc2)no1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923309855 637109555 /nfs/dbraw/zinc/10/95/55/637109555.db2.gz WIOGJIQWAUSDBK-WBAXXEDZSA-N 1 3 315.417 2.057 20 0 DEADHO Cc1cnc(N2CCN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)s1 ZINC000923325074 637116933 /nfs/dbraw/zinc/11/69/33/637116933.db2.gz QUYCSKSSEYUDMI-MQVJKMGUSA-N 1 3 320.506 2.494 20 0 DEADHO Cc1nc2c(s1)[C@@H](N(C)C[C@@H]1CC3(C[NH2+]C3)CO1)CCC2 ZINC000923325930 637117810 /nfs/dbraw/zinc/11/78/10/637117810.db2.gz WRAAHHPDLAYDCL-JSGCOSHPSA-N 1 3 307.463 2.139 20 0 DEADHO CC(C)(C)[C@@]1(C[NH3+])CCN(C[C@H](O)COc2ccc(F)cc2)C1 ZINC000923412829 637166579 /nfs/dbraw/zinc/16/65/79/637166579.db2.gz BYCALZIPURSTKL-MAUKXSAKSA-N 1 3 324.440 2.262 20 0 DEADHO Cc1cccc(OC[C@H](O)CN2CC[C@@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000923414625 637168216 /nfs/dbraw/zinc/16/82/16/637168216.db2.gz MQOQDYVWVABQHY-APWZRJJASA-N 1 3 320.477 2.432 20 0 DEADHO C[C@@H](C(=O)Nc1cccc2ncccc21)N1CC[C@@H](CC[NH3+])C1 ZINC000923482629 637204863 /nfs/dbraw/zinc/20/48/63/637204863.db2.gz GLTKJFCTOWYAHB-UONOGXRCSA-N 1 3 312.417 2.233 20 0 DEADHO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N1CC[C@@H](CC[NH3+])C1 ZINC000923486157 637206370 /nfs/dbraw/zinc/20/63/70/637206370.db2.gz NXTKDPZBTGKSSV-KFWWJZLASA-N 1 3 321.490 2.471 20 0 DEADHO C[C@@H]1CN(C[C@@H](O)c2ccc(F)cc2Cl)CC[C@H]1C[NH3+] ZINC000923492817 637210598 /nfs/dbraw/zinc/21/05/98/637210598.db2.gz POGZPYWWZDROQI-JRPNMDOOSA-N 1 3 300.805 2.429 20 0 DEADHO Cc1ccc([C@H](C)NC(=O)CN2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1C ZINC000923503424 637214860 /nfs/dbraw/zinc/21/48/60/637214860.db2.gz IBNFAOUQBQLZAQ-BQFCYCMXSA-N 1 3 317.477 2.397 20 0 DEADHO C[C@@H]1CN(CC(=O)N[C@H](c2ccccc2)C2CC2)CC[C@@H]1C[NH3+] ZINC000923499242 637215846 /nfs/dbraw/zinc/21/58/46/637215846.db2.gz MCBPTNJLJYNCMF-LSBZLQRGSA-N 1 3 315.461 2.171 20 0 DEADHO CCN(Cc1cccc(F)c1)C(=O)CN1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923499153 637216056 /nfs/dbraw/zinc/21/60/56/637216056.db2.gz KOIIRJZVPLOQET-HOCLYGCPSA-N 1 3 321.440 2.091 20 0 DEADHO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923504945 637219924 /nfs/dbraw/zinc/21/99/24/637219924.db2.gz XBCGZBFMLIGFFY-KCYZZUKISA-N 1 3 315.461 2.269 20 0 DEADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNc1ccncc1CO ZINC000894866154 637274205 /nfs/dbraw/zinc/27/42/05/637274205.db2.gz SGTMCYIXBLCCKE-WBVHZDCISA-N 1 3 311.429 2.176 20 0 DEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNc1ccncc1CO ZINC000894866154 637274207 /nfs/dbraw/zinc/27/42/07/637274207.db2.gz SGTMCYIXBLCCKE-WBVHZDCISA-N 1 3 311.429 2.176 20 0 DEADHO C[C@H]([NH2+]CC1CCC1)C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001029144009 637274913 /nfs/dbraw/zinc/27/49/13/637274913.db2.gz AMUDGWMPEKEJTJ-CVEARBPZSA-N 1 3 321.509 2.488 20 0 DEADHO c1ccc([C@@H]2C[C@@H](NC[C@@H]3COCO3)CC[N@@H+]2C2CC2)cc1 ZINC000894889956 637296982 /nfs/dbraw/zinc/29/69/82/637296982.db2.gz QKSPCEVDPKKWAN-JQHSSLGASA-N 1 3 302.418 2.317 20 0 DEADHO c1ccc([C@@H]2C[C@@H](NC[C@@H]3COCO3)CC[N@H+]2C2CC2)cc1 ZINC000894889956 637296984 /nfs/dbraw/zinc/29/69/84/637296984.db2.gz QKSPCEVDPKKWAN-JQHSSLGASA-N 1 3 302.418 2.317 20 0 DEADHO C[C@@H](CC[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)N(C)C ZINC000895291492 637891633 /nfs/dbraw/zinc/89/16/33/637891633.db2.gz FNBVOKZCHUCXTC-CBCUQQMYSA-N 1 3 311.470 2.316 20 0 DEADHO C[C@@H](CCNCC12CC(C1)CN2C(=O)OC(C)(C)C)[NH+](C)C ZINC000895291492 637891635 /nfs/dbraw/zinc/89/16/35/637891635.db2.gz FNBVOKZCHUCXTC-CBCUQQMYSA-N 1 3 311.470 2.316 20 0 DEADHO CN1CCC(O)(C[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)CC1 ZINC000740898871 637915714 /nfs/dbraw/zinc/91/57/14/637915714.db2.gz DDPRGYYBCKPECC-UHFFFAOYSA-N 1 3 318.461 2.337 20 0 DEADHO CCN1CCN(CCC[NH2+]Cc2cnc3ccccc3c2)CC1 ZINC000727466078 637953257 /nfs/dbraw/zinc/95/32/57/637953257.db2.gz STFJGKJFRKMIEQ-UHFFFAOYSA-N 1 3 312.461 2.352 20 0 DEADHO COCCOC[C@H](C)[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000895694058 638147413 /nfs/dbraw/zinc/14/74/13/638147413.db2.gz QNNQALOZVFFXMF-LNLFQRSKSA-N 1 3 320.477 2.396 20 0 DEADHO CN(C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)[C@H]1CCCN(C)C1 ZINC000895963809 638286695 /nfs/dbraw/zinc/28/66/95/638286695.db2.gz JAJHNGPVHFXQNG-SJORKVTESA-N 1 3 322.497 2.129 20 0 DEADHO CN(C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)[C@H]1CCCN(C)C1 ZINC000895963809 638286696 /nfs/dbraw/zinc/28/66/96/638286696.db2.gz JAJHNGPVHFXQNG-SJORKVTESA-N 1 3 322.497 2.129 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H](N[C@H]2CCCC[NH2+]C2)C1 ZINC000841091345 650428877 /nfs/dbraw/zinc/42/88/77/650428877.db2.gz VTSOWXMPFMWQCO-RDBSUJKOSA-N 1 3 318.408 2.475 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]CCCNC2CC2)C1 ZINC000841091119 650428911 /nfs/dbraw/zinc/42/89/11/650428911.db2.gz UNCSOGOXUZMAPA-YPMHNXCESA-N 1 3 304.381 2.085 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC([N@H+](C)CC2CCC2)CC1)N(C)C ZINC000985638042 639552638 /nfs/dbraw/zinc/55/26/38/639552638.db2.gz OBTOMGRRXFDTND-QGZVFWFLSA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC([N@@H+](C)CC2CCC2)CC1)N(C)C ZINC000985638042 639552639 /nfs/dbraw/zinc/55/26/39/639552639.db2.gz OBTOMGRRXFDTND-QGZVFWFLSA-N 1 3 309.498 2.296 20 0 DEADHO C[N@H+](Cc1ccccc1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675485 639577238 /nfs/dbraw/zinc/57/72/38/639577238.db2.gz VDJSOZZRTWCBLS-UHFFFAOYSA-N 1 3 312.417 2.075 20 0 DEADHO C[N@@H+](Cc1ccccc1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675485 639577241 /nfs/dbraw/zinc/57/72/41/639577241.db2.gz VDJSOZZRTWCBLS-UHFFFAOYSA-N 1 3 312.417 2.075 20 0 DEADHO C[N@H+](CC1CCCC1)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029903585 639753884 /nfs/dbraw/zinc/75/38/84/639753884.db2.gz AUEPOEYEWLTSFW-QGZVFWFLSA-N 1 3 307.482 2.053 20 0 DEADHO C[N@@H+](CC1CCCC1)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029903585 639753888 /nfs/dbraw/zinc/75/38/88/639753888.db2.gz AUEPOEYEWLTSFW-QGZVFWFLSA-N 1 3 307.482 2.053 20 0 DEADHO CCCC[N@H+](C)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000763044705 640495490 /nfs/dbraw/zinc/49/54/90/640495490.db2.gz QGGNTUDZBOKNKO-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CCCC[N@@H+](C)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000763044705 640495492 /nfs/dbraw/zinc/49/54/92/640495492.db2.gz QGGNTUDZBOKNKO-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CCC2CC2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989450542 641004180 /nfs/dbraw/zinc/00/41/80/641004180.db2.gz NUHJOCGHCDZZEJ-GOEBONIOSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CCC2CC2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989450537 641004313 /nfs/dbraw/zinc/00/43/13/641004313.db2.gz NUHJOCGHCDZZEJ-GDBMZVCRSA-N 1 3 307.482 2.097 20 0 DEADHO CCCN1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000989739261 641216636 /nfs/dbraw/zinc/21/66/36/641216636.db2.gz PQNKKVVPHWEVJA-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC000776013788 642122541 /nfs/dbraw/zinc/12/25/41/642122541.db2.gz ZRAQOVYWRYTXIU-OAHLLOKOSA-N 1 3 303.450 2.107 20 0 DEADHO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC000776013788 642122542 /nfs/dbraw/zinc/12/25/42/642122542.db2.gz ZRAQOVYWRYTXIU-OAHLLOKOSA-N 1 3 303.450 2.107 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000842514982 650758998 /nfs/dbraw/zinc/75/89/98/650758998.db2.gz LEYWCAMQXREAKN-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO COC[C@@](C)(O)CN[C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902360293 643020109 /nfs/dbraw/zinc/02/01/09/643020109.db2.gz KLPFZSBCKAULQT-CVEARBPZSA-N 1 3 316.392 2.122 20 0 DEADHO C[C@@H](NCC1CC[NH+](Cc2cccs2)CC1)c1cn(C)nn1 ZINC000902782864 643142199 /nfs/dbraw/zinc/14/21/99/643142199.db2.gz PMURGXOZNUUGQH-CYBMUJFWSA-N 1 3 319.478 2.439 20 0 DEADHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000903196192 643282062 /nfs/dbraw/zinc/28/20/62/643282062.db2.gz JMZKLGKHBJTBRN-YESPDJNYSA-N 1 3 321.509 2.232 20 0 DEADHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000903196192 643282067 /nfs/dbraw/zinc/28/20/67/643282067.db2.gz JMZKLGKHBJTBRN-YESPDJNYSA-N 1 3 321.509 2.232 20 0 DEADHO CN1C[C@@H](CC[NH2+]C2CCN(C3CCCCC3)CC2)CC1=O ZINC000903217949 643292941 /nfs/dbraw/zinc/29/29/41/643292941.db2.gz GOEPVYHOZHGEHB-HNNXBMFYSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC2CC(CC(N)=O)C2)CC1 ZINC000903261106 643303536 /nfs/dbraw/zinc/30/35/36/643303536.db2.gz PQGPRYNUPMEDGH-RKHAHWSXSA-N 1 3 307.482 2.273 20 0 DEADHO COC(=O)C1CCC(N[C@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000903381453 643335312 /nfs/dbraw/zinc/33/53/12/643335312.db2.gz WZMRFYQRGWPCIY-BDVYOWHSSA-N 1 3 319.449 2.396 20 0 DEADHO C1CC1[N@H+]1[C@@H]2CC[C@H]1CC(N[C@H]1CCOC13CCOCC3)C2 ZINC000903390365 643338794 /nfs/dbraw/zinc/33/87/94/643338794.db2.gz QQLGCGGEPOJNEB-YQAQFAQXSA-N 1 3 306.450 2.072 20 0 DEADHO C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC(N[C@H]1CCOC13CCOCC3)C2 ZINC000903390365 643338797 /nfs/dbraw/zinc/33/87/97/643338797.db2.gz QQLGCGGEPOJNEB-YQAQFAQXSA-N 1 3 306.450 2.072 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000903434291 643348286 /nfs/dbraw/zinc/34/82/86/643348286.db2.gz AGWWNLQIICDEHC-HIFRSBDPSA-N 1 3 319.424 2.332 20 0 DEADHO COCCCN(CCc1ccc(OC)cc1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903439331 643350124 /nfs/dbraw/zinc/35/01/24/643350124.db2.gz GFAJSEZIOXREFR-AEFFLSMTSA-N 1 3 320.477 2.432 20 0 DEADHO C[C@H]1C[C@@H]1c1noc(CC2CCN(C[C@@H]3C[NH2+]C[C@H]3C)CC2)n1 ZINC000903460786 643353159 /nfs/dbraw/zinc/35/31/59/643353159.db2.gz HZZXVTKNOGZLTD-XRGAULLZSA-N 1 3 318.465 2.303 20 0 DEADHO Clc1ncccc1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903508759 643373588 /nfs/dbraw/zinc/37/35/88/643373588.db2.gz UODVIOQPYVFCLR-IYBDPMFKSA-N 1 3 320.868 2.136 20 0 DEADHO O=C(C1CCN(C[C@H]2CCCC[NH2+]C2)CC1)N1CCCCC1 ZINC000903718349 643438032 /nfs/dbraw/zinc/43/80/32/643438032.db2.gz LBTDSPWLOVHVQN-INIZCTEOSA-N 1 3 307.482 2.101 20 0 DEADHO CCC[C@H](C)NC(=O)[C@@H]1CCCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903725395 643441032 /nfs/dbraw/zinc/44/10/32/643441032.db2.gz BIWNYJOKVQVJKO-YESZJQIVSA-N 1 3 309.498 2.393 20 0 DEADHO COc1ccccc1C1(NC[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903763513 643452647 /nfs/dbraw/zinc/45/26/47/643452647.db2.gz LFRLHCBCQXBPPV-WMLDXEAASA-N 1 3 302.418 2.043 20 0 DEADHO CNC(=O)c1cccc(CN2CCC(C(C)(C)C[NH3+])CC2)c1 ZINC000903790420 643456282 /nfs/dbraw/zinc/45/62/82/643456282.db2.gz HZWXJNWUXNCYSK-UHFFFAOYSA-N 1 3 303.450 2.243 20 0 DEADHO NC[C@]12CC[C@H]1CCC[N@@H+]2C[C@@H]1CCC2(CCOCC2)CO1 ZINC000903804732 643468686 /nfs/dbraw/zinc/46/86/86/643468686.db2.gz ICNHUKPBKFGADA-SOLBZPMBSA-N 1 3 308.466 2.166 20 0 DEADHO NC[C@]12CC[C@H]1CCC[N@H+]2C[C@@H]1CCC2(CCOCC2)CO1 ZINC000903804732 643468688 /nfs/dbraw/zinc/46/86/88/643468688.db2.gz ICNHUKPBKFGADA-SOLBZPMBSA-N 1 3 308.466 2.166 20 0 DEADHO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C[C@@H](N)CC(F)F ZINC000903872874 643493175 /nfs/dbraw/zinc/49/31/75/643493175.db2.gz KTEJCIJDYLVZKD-AAEUAGOBSA-N 1 3 309.364 2.243 20 0 DEADHO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)C[C@@H](N)CC(F)F ZINC000903872874 643493179 /nfs/dbraw/zinc/49/31/79/643493179.db2.gz KTEJCIJDYLVZKD-AAEUAGOBSA-N 1 3 309.364 2.243 20 0 DEADHO Cc1c(C[C@@H](C[NH3+])CN(C)C[C@H](C)c2nccs2)cnn1C ZINC000903902420 643502483 /nfs/dbraw/zinc/50/24/83/643502483.db2.gz GCUQMPYIUWOADO-JSGCOSHPSA-N 1 3 321.494 2.038 20 0 DEADHO Cc1c(C[C@@H](C[NH3+])CN2Cc3ccccc3[C@@H](C)C2)cnn1C ZINC000903937556 643515093 /nfs/dbraw/zinc/51/50/93/643515093.db2.gz NEIAFAQVCRIPNA-HOCLYGCPSA-N 1 3 312.461 2.465 20 0 DEADHO CCOc1ccc(C[NH2+]C[C@@H]2CNCCC2(F)F)cc1OC ZINC000903953504 643527661 /nfs/dbraw/zinc/52/76/61/643527661.db2.gz GULUSOAMARVHGD-ZDUSSCGKSA-N 1 3 314.376 2.428 20 0 DEADHO Cc1cccc(CN2CCN(CC3CC[NH+](C)CC3)CC2)c1 ZINC000788469597 643612977 /nfs/dbraw/zinc/61/29/77/643612977.db2.gz HKGPBBBEXAGEPN-UHFFFAOYSA-N 1 3 301.478 2.454 20 0 DEADHO CC(C)(C)CC[C@H]([NH3+])CN1CCC(CN2CCOCC2)CC1 ZINC000904308861 643632500 /nfs/dbraw/zinc/63/25/00/643632500.db2.gz XTPVPGXEMBREPI-KRWDZBQOSA-N 1 3 311.514 2.184 20 0 DEADHO CC[C@@](CNC[C@@]1(C)CCC[NH2+]C1)(C(=O)OC)c1ccccc1 ZINC000904373248 643648629 /nfs/dbraw/zinc/64/86/29/643648629.db2.gz NJZIHQNYZFASRR-OALUTQOASA-N 1 3 318.461 2.487 20 0 DEADHO C[C@]1(CN2CC[C@@H](C(=O)NCc3ccccc3)C2)CCC[NH2+]C1 ZINC000904373460 643648707 /nfs/dbraw/zinc/64/87/07/643648707.db2.gz FGPUHJXBRXVURI-MJGOQNOKSA-N 1 3 315.461 2.014 20 0 DEADHO O[C@H](CC[C@H](O)c1ccccc1)CN[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000905045633 643769609 /nfs/dbraw/zinc/76/96/09/643769609.db2.gz KXSSLGQTORSQLF-XWSJACJDSA-N 1 3 318.461 2.078 20 0 DEADHO O[C@H](CC[C@H](O)c1ccccc1)CN[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000905045633 643769611 /nfs/dbraw/zinc/76/96/11/643769611.db2.gz KXSSLGQTORSQLF-XWSJACJDSA-N 1 3 318.461 2.078 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC[C@H](O)CCC2(O)CCC2)C1 ZINC000905913250 644082808 /nfs/dbraw/zinc/08/28/08/644082808.db2.gz OGAPSJZOXVZKIK-BRWVUGGUSA-N 1 3 312.498 2.000 20 0 DEADHO [NH3+]CCc1noc([C@@H]2CCCN(Cc3cccc(F)c3)C2)n1 ZINC000843131446 650903013 /nfs/dbraw/zinc/90/30/13/650903013.db2.gz UPRKVUAACSVSBC-CYBMUJFWSA-N 1 3 304.369 2.090 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC000906967082 644401876 /nfs/dbraw/zinc/40/18/76/644401876.db2.gz OBVARXPCFIRSFA-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC000906967082 644401884 /nfs/dbraw/zinc/40/18/84/644401884.db2.gz OBVARXPCFIRSFA-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000798499089 645026928 /nfs/dbraw/zinc/02/69/28/645026928.db2.gz LOBUOOXMCIQVAK-NEWSRXKRSA-N 1 3 301.478 2.438 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806131672 645801457 /nfs/dbraw/zinc/80/14/57/645801457.db2.gz LOIJUTVTVRUFOC-DZGCQCFKSA-N 1 3 322.884 2.338 20 0 DEADHO CC(C)[C@H]1CN(C(=O)c2ccc(NC3=NCCC3)cc2)CC[NH2+]1 ZINC000912766382 646161413 /nfs/dbraw/zinc/16/14/13/646161413.db2.gz VTDLHJRNLQDOOQ-MRXNPFEDSA-N 1 3 314.433 2.361 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810097204 646324040 /nfs/dbraw/zinc/32/40/40/646324040.db2.gz GGFGEGDXIKRKGF-WMLDXEAASA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810097204 646324043 /nfs/dbraw/zinc/32/40/43/646324043.db2.gz GGFGEGDXIKRKGF-WMLDXEAASA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810246526 646344487 /nfs/dbraw/zinc/34/44/87/646344487.db2.gz BPWJLDAXJVFNLR-YOEHRIQHSA-N 1 3 313.461 2.045 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810246526 646344490 /nfs/dbraw/zinc/34/44/90/646344490.db2.gz BPWJLDAXJVFNLR-YOEHRIQHSA-N 1 3 313.461 2.045 20 0 DEADHO C[NH+]1CCC([C@@H]2CCN(CN3C(=O)C(C)(C)[C@H]3C3CC3)C2)CC1 ZINC000811759259 646571302 /nfs/dbraw/zinc/57/13/02/646571302.db2.gz CARFFKQPWBLTMX-IAGOWNOFSA-N 1 3 319.493 2.255 20 0 DEADHO CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@H]12 ZINC000992015426 646828428 /nfs/dbraw/zinc/82/84/28/646828428.db2.gz VDOVPTRJAMQJQS-YQVWRLOYSA-N 1 3 319.493 2.384 20 0 DEADHO CCC[N@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@H]12 ZINC000992015426 646828433 /nfs/dbraw/zinc/82/84/33/646828433.db2.gz VDOVPTRJAMQJQS-YQVWRLOYSA-N 1 3 319.493 2.384 20 0 DEADHO CC(C)(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001015387945 647284243 /nfs/dbraw/zinc/28/42/43/647284243.db2.gz NLRVMCUHVZCOPD-SJORKVTESA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001015387945 647284246 /nfs/dbraw/zinc/28/42/46/647284246.db2.gz NLRVMCUHVZCOPD-SJORKVTESA-N 1 3 321.509 2.488 20 0 DEADHO COc1ccc([C@H](O)CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000817901542 647376927 /nfs/dbraw/zinc/37/69/27/647376927.db2.gz WTSAQBBPIANGFP-XMTFNYHQSA-N 1 3 304.434 2.239 20 0 DEADHO O=C(Oc1ccccc1)N1CCC[C@@H](NCC[NH2+]C2CC2)CC1 ZINC000817954258 647392875 /nfs/dbraw/zinc/39/28/75/647392875.db2.gz WRAZSAWHVXUGRS-OAHLLOKOSA-N 1 3 317.433 2.382 20 0 DEADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NC[C@@]1(C)CCC[NH2+]C1 ZINC000817965405 647395676 /nfs/dbraw/zinc/39/56/76/647395676.db2.gz UITYCWALLDWAGM-LRDDRELGSA-N 1 3 324.856 2.431 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CCN1C ZINC000915225298 647498424 /nfs/dbraw/zinc/49/84/24/647498424.db2.gz IYGHGINAGJGHLY-PBHICJAKSA-N 1 3 322.497 2.033 20 0 DEADHO Cc1ncc(CCNC[C@H](O)C[N@@H+](C)Cc2ccccc2)s1 ZINC000819179375 647602079 /nfs/dbraw/zinc/60/20/79/647602079.db2.gz NHLCDBGQPZFBTC-INIZCTEOSA-N 1 3 319.474 2.077 20 0 DEADHO Cc1ncc(CCNC[C@H](O)C[N@H+](C)Cc2ccccc2)s1 ZINC000819179375 647602083 /nfs/dbraw/zinc/60/20/83/647602083.db2.gz NHLCDBGQPZFBTC-INIZCTEOSA-N 1 3 319.474 2.077 20 0 DEADHO Cc1ccc([C@@H](O)CNCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000819265417 647620887 /nfs/dbraw/zinc/62/08/87/647620887.db2.gz OUEUJKGHHRUICA-WMZOPIPTSA-N 1 3 306.450 2.119 20 0 DEADHO Cc1ccc([C@@H](O)CNCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000819265417 647620892 /nfs/dbraw/zinc/62/08/92/647620892.db2.gz OUEUJKGHHRUICA-WMZOPIPTSA-N 1 3 306.450 2.119 20 0 DEADHO C[C@H]1[C@H](NC(=O)C23CCCN2CCC3)CCC[N@@H+]1CC1CCC1 ZINC000993526032 647690150 /nfs/dbraw/zinc/69/01/50/647690150.db2.gz GAIMEXDTUOSJGD-DOTOQJQBSA-N 1 3 319.493 2.384 20 0 DEADHO C[C@H]1[C@H](NC(=O)C23CCCN2CCC3)CCC[N@H+]1CC1CCC1 ZINC000993526032 647690153 /nfs/dbraw/zinc/69/01/53/647690153.db2.gz GAIMEXDTUOSJGD-DOTOQJQBSA-N 1 3 319.493 2.384 20 0 DEADHO CC(C)=CCN1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994252626 647857176 /nfs/dbraw/zinc/85/71/76/647857176.db2.gz MKAPIBKOKWMYKE-CVEARBPZSA-N 1 3 305.466 2.018 20 0 DEADHO CC(C)N1CC[C@@H](N[C@@H](C)c2cccc(C[NH+](C)C)c2)C1=O ZINC000820814835 647923648 /nfs/dbraw/zinc/92/36/48/647923648.db2.gz MQONOYJGCVFQOL-WMLDXEAASA-N 1 3 303.450 2.408 20 0 DEADHO C[C@H]1[C@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CCN1C ZINC000921222871 648281595 /nfs/dbraw/zinc/28/15/95/648281595.db2.gz WCRPBVJUKYOIMJ-WMLDXEAASA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]CC1CCCC1 ZINC000939137463 648577711 /nfs/dbraw/zinc/57/77/11/648577711.db2.gz IKZSMAPUNBHKDE-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000827078326 648967281 /nfs/dbraw/zinc/96/72/81/648967281.db2.gz MEIZPJVPZOZXQF-DLBZAZTESA-N 1 3 307.482 2.382 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000827078326 648967283 /nfs/dbraw/zinc/96/72/83/648967283.db2.gz MEIZPJVPZOZXQF-DLBZAZTESA-N 1 3 307.482 2.382 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CCC2CC2)CC1(C)C ZINC000941186152 649018200 /nfs/dbraw/zinc/01/82/00/649018200.db2.gz DJEUHDDIDHZFDH-INIZCTEOSA-N 1 3 318.465 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CCC2CC2)CC1(C)C ZINC000941186152 649018203 /nfs/dbraw/zinc/01/82/03/649018203.db2.gz DJEUHDDIDHZFDH-INIZCTEOSA-N 1 3 318.465 2.277 20 0 DEADHO [NH3+]Cc1cccc(C(=O)N2CCN(CC3CCCCC3)CC2)c1 ZINC000827814745 649090339 /nfs/dbraw/zinc/09/03/39/649090339.db2.gz IIIZZCDKBNTDHG-UHFFFAOYSA-N 1 3 315.461 2.483 20 0 DEADHO CC[C@H](CNC(=O)C[C@H]([NH3+])C1CC1)N1CCc2ccccc2C1 ZINC000831823278 649647441 /nfs/dbraw/zinc/64/74/41/649647441.db2.gz VMXRFCCMFWJCRM-MSOLQXFVSA-N 1 3 315.461 2.067 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@H](CC[NH3+])C2)cc(Cl)n1 ZINC000834703424 649833432 /nfs/dbraw/zinc/83/34/32/649833432.db2.gz JRVCNCNNYZZLQM-TZMCWYRMSA-N 1 3 324.856 2.021 20 0 DEADHO Cc1cc([C@@H](N)CC(=O)N[C@@H](C)CCCC[NH3+])cc(Cl)n1 ZINC000834786493 649845224 /nfs/dbraw/zinc/84/52/24/649845224.db2.gz PBCPQUWGVLYJSU-GWCFXTLKSA-N 1 3 312.845 2.067 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000834791998 649845924 /nfs/dbraw/zinc/84/59/24/649845924.db2.gz BQYLGWJTQWEPRW-RSIVFMTNSA-N 1 3 307.482 2.382 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000844198230 651090434 /nfs/dbraw/zinc/09/04/34/651090434.db2.gz GHAXSGIEGSNKHK-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO COC(=O)Cc1ccccc1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000848572923 651473165 /nfs/dbraw/zinc/47/31/65/651473165.db2.gz NRVVPFXVSVSNQZ-KZNAEPCWSA-N 1 3 316.445 2.365 20 0 DEADHO COC(=O)Cc1ccccc1CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000848572923 651473167 /nfs/dbraw/zinc/47/31/67/651473167.db2.gz NRVVPFXVSVSNQZ-KZNAEPCWSA-N 1 3 316.445 2.365 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](NC[C@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000848718722 651496895 /nfs/dbraw/zinc/49/68/95/651496895.db2.gz QFKKWNOPCVWFMG-DYEKYZERSA-N 1 3 318.339 2.478 20 0 DEADHO CCOCCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000848980852 651568932 /nfs/dbraw/zinc/56/89/32/651568932.db2.gz XURPLTLSWDPQFM-UHFFFAOYSA-N 1 3 318.465 2.192 20 0 DEADHO CCCCNC(=[NH2+])NCC1(N2CCC(OC)CC2)CCCC1 ZINC000849006492 651579698 /nfs/dbraw/zinc/57/96/98/651579698.db2.gz LCIWEKWJAVHKMP-UHFFFAOYSA-N 1 3 310.486 2.324 20 0 DEADHO COC1CCN(C2(CNC(=[NH2+])N3CCCCC3)CCCC2)CC1 ZINC000849101919 651601863 /nfs/dbraw/zinc/60/18/63/651601863.db2.gz YQNIOUFRODQHLG-UHFFFAOYSA-N 1 3 322.497 2.420 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C\c1ccsc1 ZINC000855346121 651679476 /nfs/dbraw/zinc/67/94/76/651679476.db2.gz PAEDFGQVRIVRDE-AFNCTOJWSA-N 1 3 309.479 2.150 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C\c1ccsc1 ZINC000855346121 651679481 /nfs/dbraw/zinc/67/94/81/651679481.db2.gz PAEDFGQVRIVRDE-AFNCTOJWSA-N 1 3 309.479 2.150 20 0 DEADHO CON(C)CCN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000850478849 651936378 /nfs/dbraw/zinc/93/63/78/651936378.db2.gz YRMJMADQWDXQTB-KRWDZBQOSA-N 1 3 303.450 2.266 20 0 DEADHO CON(C)CCN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000850478849 651936380 /nfs/dbraw/zinc/93/63/80/651936380.db2.gz YRMJMADQWDXQTB-KRWDZBQOSA-N 1 3 303.450 2.266 20 0 DEADHO CN(C)C1(C(=O)NCC[C@H]2CC[N@@H+](CCC3CC3)C2)CCC1 ZINC001391306905 1156325877 /nfs/dbraw/zinc/32/58/77/1156325877.db2.gz DOYNCYBJVNKBMW-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]C/C=C/Cl ZINC001392161417 1156879328 /nfs/dbraw/zinc/87/93/28/1156879328.db2.gz FYCJDKOJYVXOQH-RAAGAXANSA-N 1 3 313.873 2.050 20 0 DEADHO CC[N@H+](C)CCC(=O)NCC1(C)CCN(C/C=C\Cl)CC1 ZINC001393188508 1157746280 /nfs/dbraw/zinc/74/62/80/1157746280.db2.gz UNYFMJRUTOMGGW-UITAMQMPSA-N 1 3 315.889 2.299 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCC1(C)CCN(C/C=C\Cl)CC1 ZINC001393188508 1157746289 /nfs/dbraw/zinc/74/62/89/1157746289.db2.gz UNYFMJRUTOMGGW-UITAMQMPSA-N 1 3 315.889 2.299 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@@H]2C1 ZINC001393412603 1157823700 /nfs/dbraw/zinc/82/37/00/1157823700.db2.gz IKLXYMCIPGOYKM-IYBDPMFKSA-N 1 3 309.498 2.155 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CCC(C)(C)C)C[C@@H]2C1 ZINC001393412603 1157823703 /nfs/dbraw/zinc/82/37/03/1157823703.db2.gz IKLXYMCIPGOYKM-IYBDPMFKSA-N 1 3 309.498 2.155 20 0 DEADHO CC(C)[C@@H](CNC(=O)[C@@H]1CCCN1C(C)C)[NH2+]CC1CCC1 ZINC001374418035 1157848373 /nfs/dbraw/zinc/84/83/73/1157848373.db2.gz AXUMITVNGDVTHF-SJORKVTESA-N 1 3 309.498 2.390 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1csc(C)c1 ZINC001394000719 1158150398 /nfs/dbraw/zinc/15/03/98/1158150398.db2.gz OXPSRTROVCKKNP-ZIAGYGMSSA-N 1 3 311.495 2.381 20 0 DEADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CC1CC1 ZINC000382731765 685405114 /nfs/dbraw/zinc/40/51/14/685405114.db2.gz BZBQJCNCRRXHQQ-MSOLQXFVSA-N 1 3 315.461 2.094 20 0 DEADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CC1CC1 ZINC000382731765 685405117 /nfs/dbraw/zinc/40/51/17/685405117.db2.gz BZBQJCNCRRXHQQ-MSOLQXFVSA-N 1 3 315.461 2.094 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC000382751562 685405669 /nfs/dbraw/zinc/40/56/69/685405669.db2.gz CBRBZFGCJKDXQZ-QAPCUYQASA-N 1 3 315.461 2.237 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)c2cccc(CN3CCCCC3)c2)CC[N@@H+]1C ZINC000928430002 693777782 /nfs/dbraw/zinc/77/77/82/693777782.db2.gz FBIMUFXMZJFBJE-QAPCUYQASA-N 1 3 315.461 2.495 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)c2cccc(CN3CCCCC3)c2)CC[N@H+]1C ZINC000928430002 693777786 /nfs/dbraw/zinc/77/77/86/693777786.db2.gz FBIMUFXMZJFBJE-QAPCUYQASA-N 1 3 315.461 2.495 20 0 DEADHO CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001054129192 693856673 /nfs/dbraw/zinc/85/66/73/693856673.db2.gz MGFVJQJIWUFVQZ-SJLPKXTDSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001054129192 693856676 /nfs/dbraw/zinc/85/66/76/693856676.db2.gz MGFVJQJIWUFVQZ-SJLPKXTDSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001054144943 693861623 /nfs/dbraw/zinc/86/16/23/693861623.db2.gz FRAHAPDZJGRFCE-FUHWJXTLSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001054144943 693861627 /nfs/dbraw/zinc/86/16/27/693861627.db2.gz FRAHAPDZJGRFCE-FUHWJXTLSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@]2(CC[N@H+](CC(C)C)C2)C1)N(C)C ZINC001054154834 693865331 /nfs/dbraw/zinc/86/53/31/693865331.db2.gz WIEMDEGPUHVERG-SJLPKXTDSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@]2(CC[N@@H+](CC(C)C)C2)C1)N(C)C ZINC001054154834 693865332 /nfs/dbraw/zinc/86/53/32/693865332.db2.gz WIEMDEGPUHVERG-SJLPKXTDSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@]3(CC[N@H+](CC4CC4)C3)C2)C1 ZINC001054197935 693878630 /nfs/dbraw/zinc/87/86/30/693878630.db2.gz LYEJTLDVIODRKG-QFBILLFUSA-N 1 3 319.493 2.053 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@]3(CC[N@@H+](CC4CC4)C3)C2)C1 ZINC001054197935 693878634 /nfs/dbraw/zinc/87/86/34/693878634.db2.gz LYEJTLDVIODRKG-QFBILLFUSA-N 1 3 319.493 2.053 20 0 DEADHO CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205693 693882766 /nfs/dbraw/zinc/88/27/66/693882766.db2.gz VSIYRUYIJLDDJT-QGZVFWFLSA-N 1 3 304.438 2.067 20 0 DEADHO CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205693 693882769 /nfs/dbraw/zinc/88/27/69/693882769.db2.gz VSIYRUYIJLDDJT-QGZVFWFLSA-N 1 3 304.438 2.067 20 0 DEADHO COc1ccc(C(C)(C)[NH2+]C[C@H](O)CN2CCCC2)cc1F ZINC000859641890 685782057 /nfs/dbraw/zinc/78/20/57/685782057.db2.gz MSYRKYFASHRBLW-AWEZNQCLSA-N 1 3 310.413 2.116 20 0 DEADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1CN(CC)C(=O)O1 ZINC000859996640 685868215 /nfs/dbraw/zinc/86/82/15/685868215.db2.gz DJEYIMQDBSRQGS-QGZVFWFLSA-N 1 3 319.449 2.411 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]Cc1ccccc1 ZINC001054740214 694036596 /nfs/dbraw/zinc/03/65/96/694036596.db2.gz VKJMSGWZCGJSNC-MAUKXSAKSA-N 1 3 315.461 2.107 20 0 DEADHO CC(C)N(CCNC(=[NH2+])Nc1ccc(CCO)cc1)C(C)C ZINC000864450947 686723729 /nfs/dbraw/zinc/72/37/29/686723729.db2.gz BVLAOKJGZMAFPO-UHFFFAOYSA-N 1 3 306.454 2.276 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]Cc2cn(C3CC3)cn2)C[C@@H](C)O1 ZINC000865471111 687224736 /nfs/dbraw/zinc/22/47/36/687224736.db2.gz KPGZPJMQOWDRGY-HUUCEWRRSA-N 1 3 306.454 2.197 20 0 DEADHO CCO[C@@H](CC[NH+](C)C)CNCc1cc(F)ccc1N(C)C ZINC000865486728 687231241 /nfs/dbraw/zinc/23/12/41/687231241.db2.gz CIBXEPYNCAFMNU-INIZCTEOSA-N 1 3 311.445 2.338 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000866153696 687468164 /nfs/dbraw/zinc/46/81/64/687468164.db2.gz QJTHHFQJJCYVMQ-WBVHZDCISA-N 1 3 316.449 2.306 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000866153696 687468168 /nfs/dbraw/zinc/46/81/68/687468168.db2.gz QJTHHFQJJCYVMQ-WBVHZDCISA-N 1 3 316.449 2.306 20 0 DEADHO CC(C)=CCN1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001015928864 687468636 /nfs/dbraw/zinc/46/86/36/687468636.db2.gz LGMMXNHCIUADPJ-KRWDZBQOSA-N 1 3 307.482 2.264 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCN(CCCF)C1 ZINC001015971621 687484930 /nfs/dbraw/zinc/48/49/30/687484930.db2.gz CCCKRIWGOXROAC-HZPDHXFCSA-N 1 3 313.461 2.191 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCN(CCCF)C1 ZINC001015971621 687484935 /nfs/dbraw/zinc/48/49/35/687484935.db2.gz CCCKRIWGOXROAC-HZPDHXFCSA-N 1 3 313.461 2.191 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CCC)CC2 ZINC001016652733 687674451 /nfs/dbraw/zinc/67/44/51/687674451.db2.gz VZTYKBRQJOZSOH-CVEARBPZSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@H](C)C[NH+]1CCC2(C[C@H]2NC(=O)Cc2nc[nH]c2C)CC1 ZINC001016950796 687741588 /nfs/dbraw/zinc/74/15/88/687741588.db2.gz OMTJYPOSHYLIAP-XJKSGUPXSA-N 1 3 318.465 2.277 20 0 DEADHO CN(CC(=O)N1CCC[C@@H](C[N@H+](C)CC2CCC2)C1)C1CCC1 ZINC001017141252 687802165 /nfs/dbraw/zinc/80/21/65/687802165.db2.gz CJHHPSQFMUWQGP-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CN(CC(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCC2)C1)C1CCC1 ZINC001017141252 687802170 /nfs/dbraw/zinc/80/21/70/687802170.db2.gz CJHHPSQFMUWQGP-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](C[N@H+](C)CC3CCC3)C2)C1 ZINC001017209627 687824470 /nfs/dbraw/zinc/82/44/70/687824470.db2.gz RQRGWUIEZFLSIR-AEFFLSMTSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](C[N@@H+](C)CC3CCC3)C2)C1 ZINC001017209627 687824478 /nfs/dbraw/zinc/82/44/78/687824478.db2.gz RQRGWUIEZFLSIR-AEFFLSMTSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001017550160 687909493 /nfs/dbraw/zinc/90/94/93/687909493.db2.gz SFXYZGBIMHPVPO-XDNAFOTISA-N 1 3 319.493 2.192 20 0 DEADHO CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001017550160 687909497 /nfs/dbraw/zinc/90/94/97/687909497.db2.gz SFXYZGBIMHPVPO-XDNAFOTISA-N 1 3 319.493 2.192 20 0 DEADHO CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001018031653 688033061 /nfs/dbraw/zinc/03/30/61/688033061.db2.gz LFNWIIBGLQABSK-CALCHBBNSA-N 1 3 307.482 2.194 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c(C)c1 ZINC001018636583 688191409 /nfs/dbraw/zinc/19/14/09/688191409.db2.gz VXUDKRRXZNHYCG-ZWKOTPCHSA-N 1 3 315.461 2.088 20 0 DEADHO C[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)c1ccc(F)cc1 ZINC001019241691 688305680 /nfs/dbraw/zinc/30/56/80/688305680.db2.gz VAUHQKQZKKPSBK-RRQGHBQHSA-N 1 3 319.424 2.171 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC001019380718 688342881 /nfs/dbraw/zinc/34/28/81/688342881.db2.gz KEVFNMWOSPFLLW-WMZOPIPTSA-N 1 3 315.461 2.170 20 0 DEADHO CN(C)CCN(Cc1ccccc1F)C(=O)CC[NH2+]C(C)(C)C ZINC000930592388 694196764 /nfs/dbraw/zinc/19/67/64/694196764.db2.gz WQVVRUUMNSSACF-UHFFFAOYSA-N 1 3 323.456 2.494 20 0 DEADHO CCC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029000799 688547859 /nfs/dbraw/zinc/54/78/59/688547859.db2.gz KBLQYVQVQCUZAE-INIZCTEOSA-N 1 3 303.450 2.210 20 0 DEADHO CCC[N@H+]1CC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029000799 688547863 /nfs/dbraw/zinc/54/78/63/688547863.db2.gz KBLQYVQVQCUZAE-INIZCTEOSA-N 1 3 303.450 2.210 20 0 DEADHO COC(=O)c1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1C ZINC000872142915 688935460 /nfs/dbraw/zinc/93/54/60/688935460.db2.gz FGRHOEWWSQVRKL-UAGQMJEPSA-N 1 3 302.418 2.341 20 0 DEADHO CN(CCCCCC[NH3+])CC(=O)NCc1cccc(Cl)c1 ZINC000872155265 688939411 /nfs/dbraw/zinc/93/94/11/688939411.db2.gz PPIXNGZMJAQHDJ-UHFFFAOYSA-N 1 3 311.857 2.407 20 0 DEADHO C[C@@H](C(=O)N(C)Cc1ccccc1)N(C)CCCCCC[NH3+] ZINC000872155689 688940376 /nfs/dbraw/zinc/94/03/76/688940376.db2.gz YNYLVQWUFNNZON-INIZCTEOSA-N 1 3 305.466 2.484 20 0 DEADHO CCN(CC)C(=O)CN1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156981 688940611 /nfs/dbraw/zinc/94/06/11/688940611.db2.gz MWCMXAFNEDBRPS-NVXWUHKLSA-N 1 3 309.498 2.474 20 0 DEADHO CN(C)[C@@H](CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+])c1ccccc1 ZINC000872275467 688971511 /nfs/dbraw/zinc/97/15/11/688971511.db2.gz NBUWVSGBSUNALF-IKGGRYGDSA-N 1 3 303.450 2.313 20 0 DEADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001032445653 689153970 /nfs/dbraw/zinc/15/39/70/689153970.db2.gz NQYVIUBIQYNRGB-ULQDDVLXSA-N 1 3 307.482 2.190 20 0 DEADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001032445653 689153972 /nfs/dbraw/zinc/15/39/72/689153972.db2.gz NQYVIUBIQYNRGB-ULQDDVLXSA-N 1 3 307.482 2.190 20 0 DEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1CC2(CO1)CCOCC2 ZINC000873251541 689194399 /nfs/dbraw/zinc/19/43/99/689194399.db2.gz KZIZFVSGEHDCRZ-IKGGRYGDSA-N 1 3 310.482 2.473 20 0 DEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H]1Cc2ccccc2CN1 ZINC000873296661 689204867 /nfs/dbraw/zinc/20/48/67/689204867.db2.gz KYVFMXAODUPFPW-BEVDRBHNSA-N 1 3 309.457 2.249 20 0 DEADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001032664998 689217692 /nfs/dbraw/zinc/21/76/92/689217692.db2.gz VBGWWGMNSJWKDK-ULQDDVLXSA-N 1 3 307.482 2.192 20 0 DEADHO CN(C(=O)C(C)(C)N1CCCCC1)[C@@H]1CC[N@H+](CCCF)C1 ZINC001033075338 689377980 /nfs/dbraw/zinc/37/79/80/689377980.db2.gz FXZPPEBXUMPOAC-OAHLLOKOSA-N 1 3 313.461 2.143 20 0 DEADHO CN(C(=O)C(C)(C)N1CCCCC1)[C@@H]1CC[N@@H+](CCCF)C1 ZINC001033075338 689377984 /nfs/dbraw/zinc/37/79/84/689377984.db2.gz FXZPPEBXUMPOAC-OAHLLOKOSA-N 1 3 313.461 2.143 20 0 DEADHO CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@@H]1CCN(CCCF)C1 ZINC001033075338 689377987 /nfs/dbraw/zinc/37/79/87/689377987.db2.gz FXZPPEBXUMPOAC-OAHLLOKOSA-N 1 3 313.461 2.143 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)N2CCCCC2)C1 ZINC001033075959 689378083 /nfs/dbraw/zinc/37/80/83/689378083.db2.gz KBNWONMGKKXIJX-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)N2CCCCC2)C1 ZINC001033075959 689378086 /nfs/dbraw/zinc/37/80/86/689378086.db2.gz KBNWONMGKKXIJX-MRXNPFEDSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)=CCN1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033143680 689402869 /nfs/dbraw/zinc/40/28/69/689402869.db2.gz JQKXHCZXPAIZIX-MSOLQXFVSA-N 1 3 321.509 2.463 20 0 DEADHO CC(C)=CCN1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033143680 689402871 /nfs/dbraw/zinc/40/28/71/689402871.db2.gz JQKXHCZXPAIZIX-MSOLQXFVSA-N 1 3 321.509 2.463 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC2)CC1 ZINC001034642254 689917253 /nfs/dbraw/zinc/91/72/53/689917253.db2.gz DSERHEDVPWLWRD-BRWVUGGUSA-N 1 3 307.482 2.286 20 0 DEADHO C[C@H](CNC(=O)/C=C/[C@H]1CCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000876765644 689929986 /nfs/dbraw/zinc/92/99/86/689929986.db2.gz WBRUVSFBKAWRPN-XXRWXEQKSA-N 1 3 315.461 2.179 20 0 DEADHO CN(C)CCN(Cc1ccccc1)C(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876874068 689960670 /nfs/dbraw/zinc/96/06/70/689960670.db2.gz ZEAHFFOEFKBJCO-SXSDINLZSA-N 1 3 315.461 2.133 20 0 DEADHO CCN(C)c1ccccc1C[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000877011471 689997183 /nfs/dbraw/zinc/99/71/83/689997183.db2.gz DFJQJLBQQIEEEV-UHFFFAOYSA-N 1 3 319.493 2.468 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CCC1C[NH2+]C1 ZINC000877031532 690001800 /nfs/dbraw/zinc/00/18/00/690001800.db2.gz XAOCXZFVPMFKLS-SJLPKXTDSA-N 1 3 313.445 2.129 20 0 DEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)C[NH2+]C(C)C ZINC000877030418 690002369 /nfs/dbraw/zinc/00/23/69/690002369.db2.gz GCYOIRLGSRAGHK-NVXWUHKLSA-N 1 3 301.434 2.127 20 0 DEADHO C[C@H](NC1CC[NH+](CC(C)(C)O)CC1)[C@H](O)c1ccc(F)cc1 ZINC000877034633 690003774 /nfs/dbraw/zinc/00/37/74/690003774.db2.gz LZVASQICEGRWBN-GUYCJALGSA-N 1 3 324.440 2.073 20 0 DEADHO Cc1cc([C@H](N)CC(=O)NC2(C[NH3+])CCCCC2)cc(Cl)n1 ZINC000877205864 690046169 /nfs/dbraw/zinc/04/61/69/690046169.db2.gz XFPNYTURCHOVDO-CYBMUJFWSA-N 1 3 324.856 2.211 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001035255042 690075275 /nfs/dbraw/zinc/07/52/75/690075275.db2.gz YQDCXSGQRDENOF-QGZVFWFLSA-N 1 3 321.509 2.443 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001035255042 690075280 /nfs/dbraw/zinc/07/52/80/690075280.db2.gz YQDCXSGQRDENOF-QGZVFWFLSA-N 1 3 321.509 2.443 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC2(C[NH+](CC3CCC3)C2)CC1)C1CC1 ZINC001035719978 690160029 /nfs/dbraw/zinc/16/00/29/690160029.db2.gz DKIIPKDJOBWBTH-QGZVFWFLSA-N 1 3 319.493 2.051 20 0 DEADHO CC(C)CC[NH+]1CC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001035721976 690160767 /nfs/dbraw/zinc/16/07/67/690160767.db2.gz IHAFCXMENKQTIW-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCCN1C)CC2 ZINC001035732675 690163694 /nfs/dbraw/zinc/16/36/94/690163694.db2.gz ICMFZHVQJWAEGJ-KRWDZBQOSA-N 1 3 319.493 2.361 20 0 DEADHO CC(C)CC[NH+]1CC2(C1)CCN(C(=O)CN1CC[C@@H](C)C1)CC2 ZINC001035799522 690179717 /nfs/dbraw/zinc/17/97/17/690179717.db2.gz XMYXNFYTDYSZJQ-QGZVFWFLSA-N 1 3 321.509 2.299 20 0 DEADHO COc1cc(C)ccc1C[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000877746030 690213149 /nfs/dbraw/zinc/21/31/49/690213149.db2.gz FQAVGPYQNZBAIX-UHFFFAOYSA-N 1 3 317.477 2.215 20 0 DEADHO CC(C)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C ZINC001036181799 690284006 /nfs/dbraw/zinc/28/40/06/690284006.db2.gz JKWZLWCUNKLQAM-HOTGVXAUSA-N 1 3 309.498 2.201 20 0 DEADHO C[NH+]1CCC(NC(=O)CN2CCC3(CCCCC3)CC2)CC1 ZINC000878036257 690290151 /nfs/dbraw/zinc/29/01/51/690290151.db2.gz HVFNESJQIWJYKG-UHFFFAOYSA-N 1 3 307.482 2.243 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CCC3CC3)[C@@H](C)C2)CC1 ZINC001036224906 690294961 /nfs/dbraw/zinc/29/49/61/690294961.db2.gz MJAYKDBORUXGTA-WMZOPIPTSA-N 1 3 321.509 2.345 20 0 DEADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H]3CCC4(CCOCC4)CO3)CC[C@H]21 ZINC000878197593 690343379 /nfs/dbraw/zinc/34/33/79/690343379.db2.gz PHWQSNKAYBKENY-FGTMMUONSA-N 1 3 322.493 2.378 20 0 DEADHO C[N@H+]1CCC[C@@H]2CN(C[C@@H]3CCC4(CCOCC4)CO3)CC[C@H]21 ZINC000878197593 690343383 /nfs/dbraw/zinc/34/33/83/690343383.db2.gz PHWQSNKAYBKENY-FGTMMUONSA-N 1 3 322.493 2.378 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H]2CN(C(=O)CN(C)C3CCC3)CC[C@H]21 ZINC001036736467 690453150 /nfs/dbraw/zinc/45/31/50/690453150.db2.gz AFSSQNYVJWUDAY-DOTOQJQBSA-N 1 3 307.482 2.050 20 0 DEADHO CC(C)C[N@H+]1CC[C@H]2CN(C(=O)CN(C)C3CCC3)CC[C@H]21 ZINC001036736467 690453154 /nfs/dbraw/zinc/45/31/54/690453154.db2.gz AFSSQNYVJWUDAY-DOTOQJQBSA-N 1 3 307.482 2.050 20 0 DEADHO CCC(CC)C[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001036829705 690490772 /nfs/dbraw/zinc/49/07/72/690490772.db2.gz JWNRVGQCQRUCSL-RDJZCZTQSA-N 1 3 318.465 2.311 20 0 DEADHO CCC(CC)C[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001036829705 690490776 /nfs/dbraw/zinc/49/07/76/690490776.db2.gz JWNRVGQCQRUCSL-RDJZCZTQSA-N 1 3 318.465 2.311 20 0 DEADHO CCC[N@@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@@H]21 ZINC001036853001 690499178 /nfs/dbraw/zinc/49/91/78/690499178.db2.gz MRCKFHRYIONJPO-IRXDYDNUSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@@H]21 ZINC001036853001 690499179 /nfs/dbraw/zinc/49/91/79/690499179.db2.gz MRCKFHRYIONJPO-IRXDYDNUSA-N 1 3 307.482 2.051 20 0 DEADHO C[NH+]1CCC2(CCN(C[C@H](O)c3ccc(F)cc3F)C2)CC1 ZINC000878864456 690516665 /nfs/dbraw/zinc/51/66/65/690516665.db2.gz CFRSZRNPHPLXMU-INIZCTEOSA-N 1 3 310.388 2.416 20 0 DEADHO COCCN(Cc1cc(C)cc(C)n1)CC1CC[NH+](C)CC1 ZINC000931379448 694382213 /nfs/dbraw/zinc/38/22/13/694382213.db2.gz JGEYGRFTBDTOJB-UHFFFAOYSA-N 1 3 305.466 2.489 20 0 DEADHO CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@@H]1[NH2+]C(C)C ZINC001037951636 690647619 /nfs/dbraw/zinc/64/76/19/690647619.db2.gz TXVZBRZQAOCXFG-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO C[NH+]1CCC(NC(=O)CN2CC[C@@]2(C)C2CCCCC2)CC1 ZINC000879789679 690731098 /nfs/dbraw/zinc/73/10/98/690731098.db2.gz FHSHOMVPAVCOBV-SFHVURJKSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1ccccc1C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCCN1C ZINC001038406191 690809292 /nfs/dbraw/zinc/80/92/92/690809292.db2.gz BHUPQVMCBHRKHU-QZTJIDSGSA-N 1 3 315.461 2.170 20 0 DEADHO Cc1ccccc1C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCCN1C ZINC001038406191 690809296 /nfs/dbraw/zinc/80/92/96/690809296.db2.gz BHUPQVMCBHRKHU-QZTJIDSGSA-N 1 3 315.461 2.170 20 0 DEADHO CN1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1=CCCCC1 ZINC001038408451 690809747 /nfs/dbraw/zinc/80/97/47/690809747.db2.gz KFNVAPNIZCXFNP-IRXDYDNUSA-N 1 3 305.466 2.162 20 0 DEADHO CN1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1=CCCCC1 ZINC001038408451 690809751 /nfs/dbraw/zinc/80/97/51/690809751.db2.gz KFNVAPNIZCXFNP-IRXDYDNUSA-N 1 3 305.466 2.162 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN1CC1CCCC1 ZINC001038444356 690824588 /nfs/dbraw/zinc/82/45/88/690824588.db2.gz MBJCLFIUJLYLCV-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN1CC1CCCC1 ZINC001038444356 690824590 /nfs/dbraw/zinc/82/45/90/690824590.db2.gz MBJCLFIUJLYLCV-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO O=C(NC[C@H]1CCN1CC1CCCCC1)C12CCC[NH+]1CCC2 ZINC001038451914 690825817 /nfs/dbraw/zinc/82/58/17/690825817.db2.gz AGNNHCRDKLDDFA-QGZVFWFLSA-N 1 3 319.493 2.386 20 0 DEADHO CC(C)N1CC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038558028 690857767 /nfs/dbraw/zinc/85/77/67/690857767.db2.gz XSTWGCMLZDQTEZ-MRXNPFEDSA-N 1 3 303.450 2.003 20 0 DEADHO C[NH+]1CCC(NC(=O)CN2CCC[C@]2(C)c2ccccc2)CC1 ZINC000880371132 690882581 /nfs/dbraw/zinc/88/25/81/690882581.db2.gz ASEXUFNVJDBZHA-LJQANCHMSA-N 1 3 315.461 2.208 20 0 DEADHO Cn1cncc1CCCN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000931491169 694411144 /nfs/dbraw/zinc/41/11/44/694411144.db2.gz MBVQSJOVZIERHV-OALUTQOASA-N 1 3 310.445 2.311 20 0 DEADHO Cn1cncc1CCCN1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC000931491169 694411147 /nfs/dbraw/zinc/41/11/47/694411147.db2.gz MBVQSJOVZIERHV-OALUTQOASA-N 1 3 310.445 2.311 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001039132568 691029704 /nfs/dbraw/zinc/02/97/04/691029704.db2.gz ACDYXTDNISSWOA-KRWDZBQOSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[N@H+]1CC[C@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001039132568 691029706 /nfs/dbraw/zinc/02/97/06/691029706.db2.gz ACDYXTDNISSWOA-KRWDZBQOSA-N 1 3 321.509 2.440 20 0 DEADHO CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001039135138 691029893 /nfs/dbraw/zinc/02/98/93/691029893.db2.gz YJDVGMRTMNZONL-QZTJIDSGSA-N 1 3 321.509 2.297 20 0 DEADHO CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001039135138 691029895 /nfs/dbraw/zinc/02/98/95/691029895.db2.gz YJDVGMRTMNZONL-QZTJIDSGSA-N 1 3 321.509 2.297 20 0 DEADHO CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039233585 691063385 /nfs/dbraw/zinc/06/33/85/691063385.db2.gz MBKMRQHFCPNZKA-IRXDYDNUSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039233585 691063389 /nfs/dbraw/zinc/06/33/89/691063389.db2.gz MBKMRQHFCPNZKA-IRXDYDNUSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN(C)C1CCC1 ZINC001039288635 691075679 /nfs/dbraw/zinc/07/56/79/691075679.db2.gz CQZOVEHUWUYRTO-ZXFUBFMLSA-N 1 3 307.482 2.382 20 0 DEADHO CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C1CC1)N(C)C ZINC001039288948 691075717 /nfs/dbraw/zinc/07/57/17/691075717.db2.gz LBGXLLKGNMYPJT-HMQMGEFJSA-N 1 3 307.482 2.237 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C(C)C)CC2 ZINC001039373724 691091300 /nfs/dbraw/zinc/09/13/00/691091300.db2.gz KYQKGZGTYRTZET-IKGGRYGDSA-N 1 3 307.482 2.333 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1C[N@H+](C(C)C)CC2 ZINC001039373724 691091304 /nfs/dbraw/zinc/09/13/04/691091304.db2.gz KYQKGZGTYRTZET-IKGGRYGDSA-N 1 3 307.482 2.333 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(C)C)CC[N@@H+]1C ZINC001039607122 691134644 /nfs/dbraw/zinc/13/46/44/691134644.db2.gz IFAOECDBJAEMMB-VVLHAWIVSA-N 1 3 307.482 2.190 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(C)C)CC[N@H+]1C ZINC001039607122 691134645 /nfs/dbraw/zinc/13/46/45/691134645.db2.gz IFAOECDBJAEMMB-VVLHAWIVSA-N 1 3 307.482 2.190 20 0 DEADHO C[NH+]1CCC(CC(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CC2)CC1 ZINC001039939817 691166516 /nfs/dbraw/zinc/16/65/16/691166516.db2.gz STYRLGKSDYNIFP-HDICACEKSA-N 1 3 319.493 2.194 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CCC1)C2)N(C)C ZINC001040262362 691221984 /nfs/dbraw/zinc/22/19/84/691221984.db2.gz SOMYBVDCMXIAHN-MJGOQNOKSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCC1)C2)N(C)C ZINC001040262362 691221986 /nfs/dbraw/zinc/22/19/86/691221986.db2.gz SOMYBVDCMXIAHN-MJGOQNOKSA-N 1 3 321.509 2.441 20 0 DEADHO CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001040393750 691241650 /nfs/dbraw/zinc/24/16/50/691241650.db2.gz DQPWQDJGOBMZBS-WMZOPIPTSA-N 1 3 307.482 2.053 20 0 DEADHO CCC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001040393750 691241654 /nfs/dbraw/zinc/24/16/54/691241654.db2.gz DQPWQDJGOBMZBS-WMZOPIPTSA-N 1 3 307.482 2.053 20 0 DEADHO CCC[NH+]1CCC2(CCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001040725608 691282568 /nfs/dbraw/zinc/28/25/68/691282568.db2.gz DHPHAQSTWSYHCG-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)CC1 ZINC001040729736 691282964 /nfs/dbraw/zinc/28/29/64/691282964.db2.gz PEIRILUCJPFRGD-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CCN1CC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000882486484 691293493 /nfs/dbraw/zinc/29/34/93/691293493.db2.gz RXHFYYVLYZMAEO-IAGOWNOFSA-N 1 3 303.450 2.280 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CC3CCCC3)C2)C1)N(C)C ZINC001041686041 691410133 /nfs/dbraw/zinc/41/01/33/691410133.db2.gz KOTOOHBHKLBOSE-HKUYNNGSSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CC3CCCC3)C2)C1)N(C)C ZINC001041686041 691410138 /nfs/dbraw/zinc/41/01/38/691410138.db2.gz KOTOOHBHKLBOSE-HKUYNNGSSA-N 1 3 321.509 2.441 20 0 DEADHO COC[C@H](NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCCOC1 ZINC000883173386 691447709 /nfs/dbraw/zinc/44/77/09/691447709.db2.gz JWBQMEAAJUDXKF-XDNAFOTISA-N 1 3 312.498 2.386 20 0 DEADHO COC[C@H](NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCCOC1 ZINC000883173386 691447713 /nfs/dbraw/zinc/44/77/13/691447713.db2.gz JWBQMEAAJUDXKF-XDNAFOTISA-N 1 3 312.498 2.386 20 0 DEADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2ccns2)[C@@H](C)C1 ZINC000883248082 691465402 /nfs/dbraw/zinc/46/54/02/691465402.db2.gz GXYKPGQNRCSKJW-GOEBONIOSA-N 1 3 311.495 2.412 20 0 DEADHO CCOCCC[N@H+]1CC[C@@H](NCCc2ccns2)[C@@H](C)C1 ZINC000883248082 691465403 /nfs/dbraw/zinc/46/54/03/691465403.db2.gz GXYKPGQNRCSKJW-GOEBONIOSA-N 1 3 311.495 2.412 20 0 DEADHO C([C@@H]1CCC2(CCOCC2)CO1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000883430094 691507592 /nfs/dbraw/zinc/50/75/92/691507592.db2.gz NBNXYQPQALABQY-BZSNNMDCSA-N 1 3 322.493 2.426 20 0 DEADHO NCc1cn([C@H]2CCC[N@H+](CC[C@@H]3CCCC3(F)F)C2)nn1 ZINC000883432169 691508026 /nfs/dbraw/zinc/50/80/26/691508026.db2.gz LVTLDNSBVSZDMJ-JSGCOSHPSA-N 1 3 313.396 2.199 20 0 DEADHO NCc1cn([C@H]2CCC[N@@H+](CC[C@@H]3CCCC3(F)F)C2)nn1 ZINC000883432169 691508028 /nfs/dbraw/zinc/50/80/28/691508028.db2.gz LVTLDNSBVSZDMJ-JSGCOSHPSA-N 1 3 313.396 2.199 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000884200645 691680590 /nfs/dbraw/zinc/68/05/90/691680590.db2.gz HGQXWUBMDUCOER-COXVUDFISA-N 1 3 301.434 2.066 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H](N)CC2CC2)C1 ZINC000884205478 691682608 /nfs/dbraw/zinc/68/26/08/691682608.db2.gz XUYBJZZHXRIZIF-DJIMGWMZSA-N 1 3 307.482 2.227 20 0 DEADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H](N)CC2CC2)C1 ZINC000884205478 691682612 /nfs/dbraw/zinc/68/26/12/691682612.db2.gz XUYBJZZHXRIZIF-DJIMGWMZSA-N 1 3 307.482 2.227 20 0 DEADHO CN(C)C[C@@H](NC(=O)[C@H]1C[NH2+]CC1(C)C)c1ccc(Cl)cc1 ZINC000884312271 691706848 /nfs/dbraw/zinc/70/68/48/691706848.db2.gz ABUGIBWVJXDFRL-HUUCEWRRSA-N 1 3 323.868 2.305 20 0 DEADHO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000884438479 691738491 /nfs/dbraw/zinc/73/84/91/691738491.db2.gz BQVYDEKLLMBKQZ-OAHLLOKOSA-N 1 3 305.422 2.117 20 0 DEADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(C)C1CN(CC2CCCCCC2)C1 ZINC001043883437 691745669 /nfs/dbraw/zinc/74/56/69/691745669.db2.gz XWRWPZAPENKNFH-CRAIPNDOSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CN(CC2CCCCCC2)C1 ZINC001043883437 691745672 /nfs/dbraw/zinc/74/56/72/691745672.db2.gz XWRWPZAPENKNFH-CRAIPNDOSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CN1CCCC1 ZINC001044857178 691898137 /nfs/dbraw/zinc/89/81/37/691898137.db2.gz FTCZBQQGFLPCMK-NVXWUHKLSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CC2CCC2)C1 ZINC001046316015 692150648 /nfs/dbraw/zinc/15/06/48/692150648.db2.gz MDCCURWLEKWEFH-WMZOPIPTSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CC2CCC2)C1 ZINC001046316015 692150651 /nfs/dbraw/zinc/15/06/51/692150651.db2.gz MDCCURWLEKWEFH-WMZOPIPTSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CNC1CC[NH+](CC3CC3)CC1)O2 ZINC000886771211 692188127 /nfs/dbraw/zinc/18/81/27/692188127.db2.gz DRXDDRKYVSYIPD-WTLGNFPFSA-N 1 3 322.493 2.423 20 0 DEADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1CCC(=O)NC1CCCC1 ZINC000887130779 692286465 /nfs/dbraw/zinc/28/64/65/692286465.db2.gz KPQWLBDPTOEWHB-HNNXBMFYSA-N 1 3 316.449 2.041 20 0 DEADHO Cc1cc(CN2CC[C@@](C)(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cs1 ZINC001046831975 692310766 /nfs/dbraw/zinc/31/07/66/692310766.db2.gz TZEZZEJXVXOOME-NVXWUHKLSA-N 1 3 321.490 2.089 20 0 DEADHO Cc1cc(CN2CC[C@@](C)(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cs1 ZINC001046831975 692310769 /nfs/dbraw/zinc/31/07/69/692310769.db2.gz TZEZZEJXVXOOME-NVXWUHKLSA-N 1 3 321.490 2.089 20 0 DEADHO C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C[NH2+]CC1CC1 ZINC001048256643 692584760 /nfs/dbraw/zinc/58/47/60/692584760.db2.gz PDKGNDFHWJQVOB-DOTOQJQBSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001048478507 692626753 /nfs/dbraw/zinc/62/67/53/692626753.db2.gz GSJHKWUVGQKMPM-MAUKXSAKSA-N 1 3 317.477 2.454 20 0 DEADHO CC[NH2+]C[C@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001048480927 692627418 /nfs/dbraw/zinc/62/74/18/692627418.db2.gz WWSVRARGBJRYCN-ZBFHGGJFSA-N 1 3 303.450 2.066 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC ZINC001049505009 692904664 /nfs/dbraw/zinc/90/46/64/692904664.db2.gz LBUJKKMJYLVBAW-IXDOHACOSA-N 1 3 307.482 2.336 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC ZINC001049505009 692904668 /nfs/dbraw/zinc/90/46/68/692904668.db2.gz LBUJKKMJYLVBAW-IXDOHACOSA-N 1 3 307.482 2.336 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001049713304 692972869 /nfs/dbraw/zinc/97/28/69/692972869.db2.gz XOOXXVBQGSQZNB-BRWVUGGUSA-N 1 3 309.498 2.294 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001049713304 692972871 /nfs/dbraw/zinc/97/28/71/692972871.db2.gz XOOXXVBQGSQZNB-BRWVUGGUSA-N 1 3 309.498 2.294 20 0 DEADHO CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001050046662 693090948 /nfs/dbraw/zinc/09/09/48/693090948.db2.gz KQEBQJMSCMAVGS-GVDBMIGSSA-N 1 3 307.482 2.192 20 0 DEADHO CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001050046662 693090951 /nfs/dbraw/zinc/09/09/51/693090951.db2.gz KQEBQJMSCMAVGS-GVDBMIGSSA-N 1 3 307.482 2.192 20 0 DEADHO CC[C@H](C(=O)N1CC2(C1)CC[NH+](CCC1CC1)CC2)N(C)C ZINC001050561400 693206948 /nfs/dbraw/zinc/20/69/48/693206948.db2.gz RTYLAGYDOHPCFO-MRXNPFEDSA-N 1 3 307.482 2.051 20 0 DEADHO Cc1cccc2c1[C@@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)CC2 ZINC000924965405 693208419 /nfs/dbraw/zinc/20/84/19/693208419.db2.gz OATFYTPUJKJTEC-IRXDYDNUSA-N 1 3 315.461 2.159 20 0 DEADHO Cc1cccc2c1[C@@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)CC2 ZINC000924965405 693208423 /nfs/dbraw/zinc/20/84/23/693208423.db2.gz OATFYTPUJKJTEC-IRXDYDNUSA-N 1 3 315.461 2.159 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCN(C(=O)C1CCC1)C1CC1 ZINC000925387753 693265397 /nfs/dbraw/zinc/26/53/97/693265397.db2.gz JDYNIPBHIWWHAD-BYICEURKSA-N 1 3 319.493 2.097 20 0 DEADHO O=C(CCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)N1CCCCC1 ZINC000925472617 693278198 /nfs/dbraw/zinc/27/81/98/693278198.db2.gz DQBHFDAWULQUDG-IAGOWNOFSA-N 1 3 307.482 2.147 20 0 DEADHO CN(CCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)CC(F)(F)F ZINC000925479974 693279554 /nfs/dbraw/zinc/27/95/54/693279554.db2.gz TWVLYHRTRVCAQW-ZIAGYGMSSA-N 1 3 307.404 2.238 20 0 DEADHO O[C@H](CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)Cc1ccccc1 ZINC000925499441 693283706 /nfs/dbraw/zinc/28/37/06/693283706.db2.gz PGBNMYLLJAHABO-IPMKNSEASA-N 1 3 302.462 2.348 20 0 DEADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCc1ccc2c(c1)OCO2 ZINC000925511631 693286362 /nfs/dbraw/zinc/28/63/62/693286362.db2.gz QNWKYHCIKHAHER-COXVUDFISA-N 1 3 302.418 2.324 20 0 DEADHO CC1(C)[C@@H](NCCc2ccc3c(c2)OCO3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925511631 693286364 /nfs/dbraw/zinc/28/63/64/693286364.db2.gz QNWKYHCIKHAHER-COXVUDFISA-N 1 3 302.418 2.324 20 0 DEADHO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CCNC[C@H]1C1CCCC1)C2 ZINC000925535359 693291469 /nfs/dbraw/zinc/29/14/69/693291469.db2.gz FKCOOQACUWNMNE-JENIJYKNSA-N 1 3 314.477 2.400 20 0 DEADHO OC1(C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)Cc2ccccc2C1 ZINC000925610744 693308729 /nfs/dbraw/zinc/30/87/29/693308729.db2.gz HNGWKMLGXAFMIO-MOPGFXCFSA-N 1 3 314.473 2.274 20 0 DEADHO OC1(CN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)Cc2ccccc2C1 ZINC000925610744 693308735 /nfs/dbraw/zinc/30/87/35/693308735.db2.gz HNGWKMLGXAFMIO-MOPGFXCFSA-N 1 3 314.473 2.274 20 0 DEADHO C[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1cccc(-n2ccnn2)c1 ZINC000925775353 693340066 /nfs/dbraw/zinc/34/00/66/693340066.db2.gz FYYHRMMCWQWYNE-TZMCWYRMSA-N 1 3 321.375 2.163 20 0 DEADHO Cc1ccc([C@H](CCn2cncn2)NC[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925784699 693341678 /nfs/dbraw/zinc/34/16/78/693341678.db2.gz KGSOWTHPBYWNOU-NJAFHUGGSA-N 1 3 313.449 2.163 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H]1CCN[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000925795983 693343619 /nfs/dbraw/zinc/34/36/19/693343619.db2.gz JDCLCSKBELDSLA-SIIHOXLZSA-N 1 3 316.424 2.484 20 0 DEADHO Cc1nc([C@H](C)NCCCCCN2CC[NH2+]CC2)c(C)s1 ZINC000925846222 693352068 /nfs/dbraw/zinc/35/20/68/693352068.db2.gz SYULJNUNHQFGEF-ZDUSSCGKSA-N 1 3 310.511 2.486 20 0 DEADHO c1cnc2c(c1)CCC[C@H]2N[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000925871888 693357846 /nfs/dbraw/zinc/35/78/46/693357846.db2.gz LDDWNQOWYFFSKQ-VQHPVUNQSA-N 1 3 301.434 2.206 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[N@H+](CC3CCCC3)CC2)C1 ZINC001052703221 693599829 /nfs/dbraw/zinc/59/98/29/693599829.db2.gz RLBNUQZQQWLLGJ-SJLPKXTDSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[N@@H+](CC3CCCC3)CC2)C1 ZINC001052703221 693599832 /nfs/dbraw/zinc/59/98/32/693599832.db2.gz RLBNUQZQQWLLGJ-SJLPKXTDSA-N 1 3 321.509 2.489 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[N@H+](CCC2CC2)CC1 ZINC001052897923 693643453 /nfs/dbraw/zinc/64/34/53/693643453.db2.gz ORUUBEJALQNYFG-HNNXBMFYSA-N 1 3 304.438 2.031 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC001052897923 693643455 /nfs/dbraw/zinc/64/34/55/693643455.db2.gz ORUUBEJALQNYFG-HNNXBMFYSA-N 1 3 304.438 2.031 20 0 DEADHO CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099822 693689290 /nfs/dbraw/zinc/68/92/90/693689290.db2.gz ZNNXUQWYIKXYLQ-DOTOQJQBSA-N 1 3 318.465 2.455 20 0 DEADHO CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099822 693689292 /nfs/dbraw/zinc/68/92/92/693689292.db2.gz ZNNXUQWYIKXYLQ-DOTOQJQBSA-N 1 3 318.465 2.455 20 0 DEADHO CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001375988457 1159038017 /nfs/dbraw/zinc/03/80/17/1159038017.db2.gz LSXJBVTYDKKPLZ-ZIAGYGMSSA-N 1 3 319.440 2.056 20 0 DEADHO CCC[NH+]1CCC(C)(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001402212836 1162291805 /nfs/dbraw/zinc/29/18/05/1162291805.db2.gz YPAREEANWBUXOJ-IYBDPMFKSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C)C[NH+]1CCC2(C[C@@H]2NC(=O)CN(C)C(C)C)CC1 ZINC001402226710 1162297765 /nfs/dbraw/zinc/29/77/65/1162297765.db2.gz BYIOBCHWPJPHMV-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1ccc(CNC2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC001414079602 1150291786 /nfs/dbraw/zinc/29/17/86/1150291786.db2.gz CFOHCTLGNADKDU-UHFFFAOYSA-N 1 3 303.450 2.027 20 0 DEADHO CN1CCN(CCCNc2cc[nH+]cc2)[C@H](c2ccccc2)C1 ZINC001354011947 1151867027 /nfs/dbraw/zinc/86/70/27/1151867027.db2.gz NQFNOLPUFNQIGE-IBGZPJMESA-N 1 3 310.445 2.294 20 0 DEADHO CC[N@H+](C)CCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001378196756 1152209636 /nfs/dbraw/zinc/20/96/36/1152209636.db2.gz JAWQBGHPQYWCIG-QGZVFWFLSA-N 1 3 303.450 2.061 20 0 DEADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001378196756 1152209638 /nfs/dbraw/zinc/20/96/38/1152209638.db2.gz JAWQBGHPQYWCIG-QGZVFWFLSA-N 1 3 303.450 2.061 20 0 DEADHO C[NH+](C)CCC(=O)NC1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001402828611 1162486922 /nfs/dbraw/zinc/48/69/22/1162486922.db2.gz OHVXOIKSNSDJFZ-LUAWRHEFSA-N 1 3 322.280 2.274 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001379770197 1152692905 /nfs/dbraw/zinc/69/29/05/1152692905.db2.gz OVPLVHKGISKURM-MAUKXSAKSA-N 1 3 317.477 2.452 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001379770197 1152692907 /nfs/dbraw/zinc/69/29/07/1152692907.db2.gz OVPLVHKGISKURM-MAUKXSAKSA-N 1 3 317.477 2.452 20 0 DEADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]Cc2ccc(F)cc2)C1 ZINC001380176005 1152762741 /nfs/dbraw/zinc/76/27/41/1152762741.db2.gz RAFVVKJSFRUXEG-UHFFFAOYSA-N 1 3 321.440 2.245 20 0 DEADHO CC(C)C[NH+]1CCC(C2(NC(=O)CN3CC[C@@H](C)C3)CC2)CC1 ZINC001380183495 1152763751 /nfs/dbraw/zinc/76/37/51/1152763751.db2.gz JGHFXGQFZSHTBA-MRXNPFEDSA-N 1 3 321.509 2.345 20 0 DEADHO CCCN(C)CC(=O)N1CCC2(C1)CC[NH+](CC1CCC1)CC2 ZINC001380205988 1152768032 /nfs/dbraw/zinc/76/80/32/1152768032.db2.gz XTXSHZLTYJFBQG-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccccc2)C1 ZINC001380675096 1152842685 /nfs/dbraw/zinc/84/26/85/1152842685.db2.gz IHWMKTCGIKQQRX-WMZOPIPTSA-N 1 3 317.477 2.353 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CC2(C1)CCN(C/C=C/Cl)CC2 ZINC001380803450 1152859111 /nfs/dbraw/zinc/85/91/11/1152859111.db2.gz MJHTWNXOFYSAGY-XBXARRHUSA-N 1 3 313.873 2.005 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CC2(C1)CCN(C/C=C/Cl)CC2 ZINC001380803450 1152859112 /nfs/dbraw/zinc/85/91/12/1152859112.db2.gz MJHTWNXOFYSAGY-XBXARRHUSA-N 1 3 313.873 2.005 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+]C[C@@H](F)CC ZINC001402894243 1162522302 /nfs/dbraw/zinc/52/23/02/1162522302.db2.gz JNVZTHUVFPLFME-GJZGRUSLSA-N 1 3 301.450 2.047 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)C1C[NH+](CCCC2CCC2)C1 ZINC001381787404 1153223018 /nfs/dbraw/zinc/22/30/18/1153223018.db2.gz OBNXTURTHDGACZ-HNNXBMFYSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)C)CN1C(=O)CN(C)C1CCC1 ZINC001382301630 1153417225 /nfs/dbraw/zinc/41/72/25/1153417225.db2.gz XTIOESRGIVAWFU-HUUCEWRRSA-N 1 3 309.498 2.486 20 0 DEADHO CN1C[C@@H]2CC[C@@H]([NH2+]CC3(CNC(=O)OC(C)(C)C)CC3)[C@H]2C1 ZINC001363691395 1153558231 /nfs/dbraw/zinc/55/82/31/1153558231.db2.gz ZWDFWCFEVKSLOL-SOUVJXGZSA-N 1 3 323.481 2.221 20 0 DEADHO OC1(C[NH+]2CCCCC2)CCN(C[C@H]2CC3(CCC3)CO2)CC1 ZINC001363850954 1153668486 /nfs/dbraw/zinc/66/84/86/1153668486.db2.gz MJKNEUMFCHGCJD-QGZVFWFLSA-N 1 3 322.493 2.258 20 0 DEADHO CN(CC(C)(C)C[NH+](C)C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001363852330 1153669062 /nfs/dbraw/zinc/66/90/62/1153669062.db2.gz WVCYXUOLBOYFKJ-KRWDZBQOSA-N 1 3 315.477 2.245 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001403015851 1162627975 /nfs/dbraw/zinc/62/79/75/1162627975.db2.gz PDNNUIVFHKXKNG-JKSUJKDBSA-N 1 3 305.466 2.320 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1)N(C)C ZINC001388684208 1155066478 /nfs/dbraw/zinc/06/64/78/1155066478.db2.gz BEUJUTNKKZYGGJ-ZNMIVQPWSA-N 1 3 309.479 2.073 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCc2ccc(C)cc2)C1)N(C)C ZINC001389896004 1155465093 /nfs/dbraw/zinc/46/50/93/1155465093.db2.gz HPRJGALEZZPMCC-BZSNNMDCSA-N 1 3 317.477 2.115 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1)N(C)C ZINC001389898208 1155465598 /nfs/dbraw/zinc/46/55/98/1155465598.db2.gz JUIJNEDJVSDSFT-BASLNEPJSA-N 1 3 321.440 2.464 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCc2ccccc21 ZINC001390407385 1155704525 /nfs/dbraw/zinc/70/45/25/1155704525.db2.gz UGCAIGVVEPTYPQ-WMLDXEAASA-N 1 3 315.461 2.253 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001371345307 1155829734 /nfs/dbraw/zinc/82/97/34/1155829734.db2.gz JDLCLEMJZKCEHQ-GDBMZVCRSA-N 1 3 309.498 2.247 20 0 DEADHO CCc1cccc(CN(C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001390765416 1155864319 /nfs/dbraw/zinc/86/43/19/1155864319.db2.gz KHLPGZSQCJAQIV-CRAIPNDOSA-N 1 3 317.477 2.137 20 0 DEADHO CCc1cccc(CN(C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001390765416 1155864320 /nfs/dbraw/zinc/86/43/20/1155864320.db2.gz KHLPGZSQCJAQIV-CRAIPNDOSA-N 1 3 317.477 2.137 20 0 DEADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+]Cc1cccc(F)c1 ZINC001371768787 1156007067 /nfs/dbraw/zinc/00/70/67/1156007067.db2.gz HXDOBKCAGVIJMO-CQSZACIVSA-N 1 3 321.440 2.294 20 0 DEADHO CN(C)C1(C(=O)NCC[C@H]2CC[N@H+](CCC3CC3)C2)CCC1 ZINC001391306905 1156325874 /nfs/dbraw/zinc/32/58/74/1156325874.db2.gz DOYNCYBJVNKBMW-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO C[NH+](C)CC1(C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCC2)CC1 ZINC001391534380 1156503086 /nfs/dbraw/zinc/50/30/86/1156503086.db2.gz HNTHBNWSUPLGBT-IRXDYDNUSA-N 1 3 319.493 2.194 20 0 DEADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001372651554 1156642426 /nfs/dbraw/zinc/64/24/26/1156642426.db2.gz HLYACRMDIPOLOT-INIZCTEOSA-N 1 3 321.440 2.106 20 0 DEADHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC1CC2(CCC2)C1 ZINC001391715722 1156726357 /nfs/dbraw/zinc/72/63/57/1156726357.db2.gz BKCMEKGLTRGNLO-WBVHZDCISA-N 1 3 321.509 2.393 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[N@H+](C)CC1CC2(CCC2)C1 ZINC001403174939 1162806856 /nfs/dbraw/zinc/80/68/56/1162806856.db2.gz SAIJKLNVIKHREB-HZPDHXFCSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[N@@H+](C)CC1CC2(CCC2)C1 ZINC001403174939 1162806857 /nfs/dbraw/zinc/80/68/57/1162806857.db2.gz SAIJKLNVIKHREB-HZPDHXFCSA-N 1 3 321.509 2.345 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1CCC2(CCN(CCF)C2)CC1 ZINC001391873090 1156821414 /nfs/dbraw/zinc/82/14/14/1156821414.db2.gz PUCOFHKGIHIBGT-UHFFFAOYSA-N 1 3 313.461 2.002 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1CCC2(CCN(CCF)C2)CC1 ZINC001391873090 1156821415 /nfs/dbraw/zinc/82/14/15/1156821415.db2.gz PUCOFHKGIHIBGT-UHFFFAOYSA-N 1 3 313.461 2.002 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]Cc1cccc(F)c1 ZINC001391930020 1156835804 /nfs/dbraw/zinc/83/58/04/1156835804.db2.gz GVQQCQYOEOJKNE-GJZGRUSLSA-N 1 3 321.440 2.009 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCc1ccccc1F ZINC001392489401 1157071972 /nfs/dbraw/zinc/07/19/72/1157071972.db2.gz YSNKBGMOBGDSQO-PBHICJAKSA-N 1 3 321.440 2.294 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCc1ccccc1F ZINC001392489401 1157071978 /nfs/dbraw/zinc/07/19/78/1157071978.db2.gz YSNKBGMOBGDSQO-PBHICJAKSA-N 1 3 321.440 2.294 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@H]1CCc2c1cccc2F ZINC001392610508 1157208556 /nfs/dbraw/zinc/20/85/56/1157208556.db2.gz QKYJFYMKKYKHGV-GUYCJALGSA-N 1 3 321.440 2.249 20 0 DEADHO Cc1cccc(CN(C)C[C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001392717532 1157366685 /nfs/dbraw/zinc/36/66/85/1157366685.db2.gz AIPJCAUQFJKTDA-SJLPKXTDSA-N 1 3 317.477 2.273 20 0 DEADHO Cc1cccc(CN(C)C[C@@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001392717532 1157366695 /nfs/dbraw/zinc/36/66/95/1157366695.db2.gz AIPJCAUQFJKTDA-SJLPKXTDSA-N 1 3 317.477 2.273 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1([NH2+]CCC2CCCC2)CC1)N(C)C ZINC001392910027 1157534403 /nfs/dbraw/zinc/53/44/03/1157534403.db2.gz YXLJYSQDGNMBLP-INIZCTEOSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cc(C)ccc1F)N(C)C ZINC001374092845 1157616577 /nfs/dbraw/zinc/61/65/77/1157616577.db2.gz ZVMWODDUHSCASO-RHSMWYFYSA-N 1 3 323.456 2.316 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+]CC2CCCC2)C1 ZINC001393165851 1157732653 /nfs/dbraw/zinc/73/26/53/1157732653.db2.gz VRSSWVRUBLQHKE-SFHVURJKSA-N 1 3 309.498 2.347 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCCN2CC)C1 ZINC001403464431 1162890819 /nfs/dbraw/zinc/89/08/19/1162890819.db2.gz UQYNYVIABLFTAO-QBPKDAKJSA-N 1 3 309.498 2.391 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@]1(C)CCC[N@H+](CCC)C1 ZINC001393210468 1157766553 /nfs/dbraw/zinc/76/65/53/1157766553.db2.gz XHZFHOAMGZSXQE-SJLPKXTDSA-N 1 3 309.498 2.489 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](CCC)C1 ZINC001393210468 1157766564 /nfs/dbraw/zinc/76/65/64/1157766564.db2.gz XHZFHOAMGZSXQE-SJLPKXTDSA-N 1 3 309.498 2.489 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)CC1)N(C)C ZINC001393600858 1157876659 /nfs/dbraw/zinc/87/66/59/1157876659.db2.gz KACHXPIDRHXVHE-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)CC1)N(C)C ZINC001393600858 1157876663 /nfs/dbraw/zinc/87/66/63/1157876663.db2.gz KACHXPIDRHXVHE-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)C(C)C)CC[C@H]21 ZINC001374565833 1157910571 /nfs/dbraw/zinc/91/05/71/1157910571.db2.gz OGJZWMRCEIRHFF-DLBZAZTESA-N 1 3 309.498 2.296 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H]2CN(C(=O)CN(C)C(C)C)CC[C@H]21 ZINC001374565833 1157910577 /nfs/dbraw/zinc/91/05/77/1157910577.db2.gz OGJZWMRCEIRHFF-DLBZAZTESA-N 1 3 309.498 2.296 20 0 DEADHO C[NH+](C)CCC(=O)NCc1ccc2c(c1)CN(CCC1CC1)C2 ZINC001393720578 1157923937 /nfs/dbraw/zinc/92/39/37/1157923937.db2.gz FEPFUDSABBZZGM-UHFFFAOYSA-N 1 3 315.461 2.370 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCc2ccccc21)N(C)C ZINC001374775274 1158018050 /nfs/dbraw/zinc/01/80/50/1158018050.db2.gz GDIBCGNFBZLOEZ-KBRIMQKVSA-N 1 3 303.450 2.108 20 0 DEADHO C[C@H](CNCc1ccccc1F)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001374802747 1158033427 /nfs/dbraw/zinc/03/34/27/1158033427.db2.gz FEHYOMJMCAVYGQ-ILXRZTDVSA-N 1 3 321.440 2.150 20 0 DEADHO C[C@H](CNCc1ccccc1F)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001374802747 1158033436 /nfs/dbraw/zinc/03/34/36/1158033436.db2.gz FEHYOMJMCAVYGQ-ILXRZTDVSA-N 1 3 321.440 2.150 20 0 DEADHO CC[C@@H](C(=O)NC1CC(C[NH2+]Cc2csc(C)c2)C1)N(C)C ZINC001393902466 1158056012 /nfs/dbraw/zinc/05/60/12/1158056012.db2.gz WLALCCWOUIOYSB-BCLQGDPASA-N 1 3 323.506 2.381 20 0 DEADHO C[C@@H](C[NH2+][C@@H]1CCc2ccccc21)NC(=O)CN(C)C1CCC1 ZINC001374897081 1158081444 /nfs/dbraw/zinc/08/14/44/1158081444.db2.gz CEUWODMWJJFVOZ-KBXCAEBGSA-N 1 3 315.461 2.253 20 0 DEADHO C[C@H](NC(=O)c1cccc(CN(C)C)c1)[C@H](C)[NH2+]CC1CC1 ZINC001393992848 1158142954 /nfs/dbraw/zinc/14/29/54/1158142954.db2.gz FHBDUCFNBACXEQ-KBPBESRZSA-N 1 3 303.450 2.255 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1cccc(C)c1)N(C)C ZINC001394126750 1158319683 /nfs/dbraw/zinc/31/96/83/1158319683.db2.gz NETRFSHFIJHJIC-NVXWUHKLSA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1cccc(C)c1)N(C)C ZINC001394126750 1158319690 /nfs/dbraw/zinc/31/96/90/1158319690.db2.gz NETRFSHFIJHJIC-NVXWUHKLSA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccccc1F)C1CC1)N(C)C ZINC001375255873 1158411150 /nfs/dbraw/zinc/41/11/50/1158411150.db2.gz BXVNRTUIZSFOLU-IRXDYDNUSA-N 1 3 321.440 2.150 20 0 DEADHO C[NH+](C)CC1(C(=O)NC[C@@H]2CCN2CCCC(C)(C)C)CC1 ZINC001375336509 1158503177 /nfs/dbraw/zinc/50/31/77/1158503177.db2.gz VOWODTXQLGIKKD-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](F)CN[C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001394505925 1158596692 /nfs/dbraw/zinc/59/66/92/1158596692.db2.gz QVJMQSUSHMOPPX-KBPBESRZSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C[C@@H]1CCN1CC1CC1)[NH+]1CCCC1 ZINC001375482443 1158749406 /nfs/dbraw/zinc/74/94/06/1158749406.db2.gz WZDSLPOOLSLGJB-IRXDYDNUSA-N 1 3 307.482 2.050 20 0 DEADHO CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001375988457 1159038010 /nfs/dbraw/zinc/03/80/10/1159038010.db2.gz LSXJBVTYDKKPLZ-ZIAGYGMSSA-N 1 3 319.440 2.056 20 0 DEADHO CC(C)[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001376379743 1159374023 /nfs/dbraw/zinc/37/40/23/1159374023.db2.gz UFOBQZQMMCRCTR-ULQDDVLXSA-N 1 3 311.514 2.493 20 0 DEADHO CC[C@H](C(=O)NCc1cccc2c1CC[N@@H+](C(C)C)C2)N(C)C ZINC001376671393 1159660603 /nfs/dbraw/zinc/66/06/03/1159660603.db2.gz HFIMOXKBGYGNJG-GOSISDBHSA-N 1 3 317.477 2.410 20 0 DEADHO CC[C@H](C(=O)NCc1cccc2c1CC[N@H+](C(C)C)C2)N(C)C ZINC001376671393 1159660615 /nfs/dbraw/zinc/66/06/15/1159660615.db2.gz HFIMOXKBGYGNJG-GOSISDBHSA-N 1 3 317.477 2.410 20 0 DEADHO Cc1cccc(C)c1C[NH2+][C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001376795054 1159801995 /nfs/dbraw/zinc/80/19/95/1159801995.db2.gz ATZDPGGGNHWFAQ-WMLDXEAASA-N 1 3 317.477 2.240 20 0 DEADHO C[NH+]1CCC(CC(=O)NCC2(NC/C=C\Cl)CCC2)CC1 ZINC001376804465 1159806231 /nfs/dbraw/zinc/80/62/31/1159806231.db2.gz WAYKRRGJVHBDQD-BAQGIRSFSA-N 1 3 313.873 2.099 20 0 DEADHO C[NH+]1CCC(CC(=O)NCC2(NC/C=C/Cl)CCC2)CC1 ZINC001376804467 1159806461 /nfs/dbraw/zinc/80/64/61/1159806461.db2.gz WAYKRRGJVHBDQD-FPYGCLRLSA-N 1 3 313.873 2.099 20 0 DEADHO CC1CC(C[N@H+](C)CCCN(C)C(=O)CN(C)C2CCC2)C1 ZINC001376943910 1159852664 /nfs/dbraw/zinc/85/26/64/1159852664.db2.gz UTDDPBADSNEIBH-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CC1CC(C[N@@H+](C)CCCN(C)C(=O)CN(C)C2CCC2)C1 ZINC001376943910 1159852665 /nfs/dbraw/zinc/85/26/65/1159852665.db2.gz UTDDPBADSNEIBH-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2CCC[C@H]([NH2+]CC3CCC3)C2)CCC1 ZINC001376957847 1159856812 /nfs/dbraw/zinc/85/68/12/1159856812.db2.gz GXGSKOVEYIOCLT-HOTGVXAUSA-N 1 3 307.482 2.288 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cc(F)ccc1C ZINC001377888833 1160862873 /nfs/dbraw/zinc/86/28/73/1160862873.db2.gz YZBXFTKBJMUIRU-GJZGRUSLSA-N 1 3 323.456 2.459 20 0 DEADHO CCCC[N@H+](C)C[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001398471007 1160904592 /nfs/dbraw/zinc/90/45/92/1160904592.db2.gz JEDFKMOWEQKALJ-DLBZAZTESA-N 1 3 309.498 2.299 20 0 DEADHO CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001398471007 1160904595 /nfs/dbraw/zinc/90/45/95/1160904595.db2.gz JEDFKMOWEQKALJ-DLBZAZTESA-N 1 3 309.498 2.299 20 0 DEADHO CCc1ccccc1C[NH+]1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001378023983 1160930584 /nfs/dbraw/zinc/93/05/84/1160930584.db2.gz SXWSSDCUDFCUBV-UHFFFAOYSA-N 1 3 317.477 2.137 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001378068496 1160982253 /nfs/dbraw/zinc/98/22/53/1160982253.db2.gz QFOXYODKQOTQOV-KRWDZBQOSA-N 1 3 303.450 2.027 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001398566381 1160984180 /nfs/dbraw/zinc/98/41/80/1160984180.db2.gz PUJAYYPZRUBRJI-QBPKDAKJSA-N 1 3 311.514 2.492 20 0 DEADHO CC(C)[C@@H](C(=O)NC1CCC([NH2+]C/C=C\Cl)CC1)N(C)C ZINC001398834532 1161117290 /nfs/dbraw/zinc/11/72/90/1161117290.db2.gz BAGVCLYCRIZOQU-OVFDWTFPSA-N 1 3 315.889 2.342 20 0 DEADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]C/C=C\c1ccccc1 ZINC001399023562 1161193688 /nfs/dbraw/zinc/19/36/88/1161193688.db2.gz LNVWPBSFNQKCRY-NWTSWCFDSA-N 1 3 315.461 2.136 20 0 DEADHO CC[C@H](F)C[NH2+][C@H](C)CCNC(=O)C(C)(C)N1CCCCC1 ZINC001399324201 1161347453 /nfs/dbraw/zinc/34/74/53/1161347453.db2.gz XQMBWVYVCYFOEY-CABCVRRESA-N 1 3 315.477 2.483 20 0 DEADHO CCCN(C)CC(=O)NCC[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001399635214 1161489900 /nfs/dbraw/zinc/48/99/00/1161489900.db2.gz SQCCWYQDPSACKL-QGZVFWFLSA-N 1 3 303.450 2.064 20 0 DEADHO CCCN(C)CC(=O)NCC[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001399635214 1161489912 /nfs/dbraw/zinc/48/99/12/1161489912.db2.gz SQCCWYQDPSACKL-QGZVFWFLSA-N 1 3 303.450 2.064 20 0 DEADHO Cc1cccc(C)c1CN(C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001399635902 1161490362 /nfs/dbraw/zinc/49/03/62/1161490362.db2.gz IJRDWBXCTMVRCX-GOSISDBHSA-N 1 3 319.493 2.438 20 0 DEADHO CC[N@H+](CCNC(=O)[C@H]1CCCN1C)[C@H](C)c1cccc(F)c1 ZINC001399697280 1161528963 /nfs/dbraw/zinc/52/89/63/1161528963.db2.gz ZHFUWCOOMFBCOH-RHSMWYFYSA-N 1 3 321.440 2.419 20 0 DEADHO CC[N@@H+](CCNC(=O)[C@H]1CCCN1C)[C@H](C)c1cccc(F)c1 ZINC001399697280 1161528965 /nfs/dbraw/zinc/52/89/65/1161528965.db2.gz ZHFUWCOOMFBCOH-RHSMWYFYSA-N 1 3 321.440 2.419 20 0 DEADHO CCCN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@H]1CCN(CC)C1 ZINC001400161657 1161672883 /nfs/dbraw/zinc/67/28/83/1161672883.db2.gz YRMJOMGOOMDSFI-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1C[NH+](CCC(C)(C)C)C1 ZINC001400573327 1161774633 /nfs/dbraw/zinc/77/46/33/1161774633.db2.gz MAWLZXFZPMZAAM-GASCZTMLSA-N 1 3 309.498 2.343 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC001401089484 1161870230 /nfs/dbraw/zinc/87/02/30/1161870230.db2.gz YQZPZIVOKCJIRL-GOSISDBHSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001401688104 1162076792 /nfs/dbraw/zinc/07/67/92/1162076792.db2.gz PUDBKMJQAUIOBQ-RDJZCZTQSA-N 1 3 305.466 2.176 20 0 DEADHO Cc1ccccc1C[N@@H+](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001401779113 1162126559 /nfs/dbraw/zinc/12/65/59/1162126559.db2.gz ZQBGPNQRUIPHLF-INIZCTEOSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1ccccc1C[N@H+](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001401779113 1162126562 /nfs/dbraw/zinc/12/65/62/1162126562.db2.gz ZQBGPNQRUIPHLF-INIZCTEOSA-N 1 3 317.477 2.416 20 0 DEADHO CC[C@@H](F)CN1CCC2(CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001402009352 1162215492 /nfs/dbraw/zinc/21/54/92/1162215492.db2.gz XPPXSKVMWFAVTM-OAHLLOKOSA-N 1 3 313.461 2.001 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@H+](CC2CC2)C1 ZINC001402201872 1162285201 /nfs/dbraw/zinc/28/52/01/1162285201.db2.gz FSRCVEYNQBGUHG-HKUYNNGSSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@@H+](CC2CC2)C1 ZINC001402201872 1162285206 /nfs/dbraw/zinc/28/52/06/1162285206.db2.gz FSRCVEYNQBGUHG-HKUYNNGSSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H]([NH2+]CCN(C)C(=O)CN(C)C1CCC1)c1ccc(F)cc1 ZINC001404306138 1163572611 /nfs/dbraw/zinc/57/26/11/1163572611.db2.gz CXVHQYUXJRYVRJ-AWEZNQCLSA-N 1 3 321.440 2.419 20 0 DEADHO C[C@@H](NCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)c1ccccc1F ZINC001404306334 1163573301 /nfs/dbraw/zinc/57/33/01/1163573301.db2.gz AGLJRTGTHUKMBF-LSDHHAIUSA-N 1 3 321.440 2.277 20 0 DEADHO C[C@@H](NCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1)c1ccccc1F ZINC001404306334 1163573306 /nfs/dbraw/zinc/57/33/06/1163573306.db2.gz AGLJRTGTHUKMBF-LSDHHAIUSA-N 1 3 321.440 2.277 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H](C[N@H+](C)CCC2CC2)C1)N(C)C ZINC001404586306 1163725932 /nfs/dbraw/zinc/72/59/32/1163725932.db2.gz FHAIKLNITUEYJQ-IAGOWNOFSA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CCC2CC2)C1)N(C)C ZINC001404586306 1163725936 /nfs/dbraw/zinc/72/59/36/1163725936.db2.gz FHAIKLNITUEYJQ-IAGOWNOFSA-N 1 3 309.498 2.153 20 0 DEADHO Cc1ccc(CN2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001404671864 1163777759 /nfs/dbraw/zinc/77/77/59/1163777759.db2.gz VDJZPDNKQNXXEE-QGZVFWFLSA-N 1 3 303.450 2.027 20 0 DEADHO CCN(C(=O)CN1CC[C@H](C)C1)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001405173974 1163991256 /nfs/dbraw/zinc/99/12/56/1163991256.db2.gz BUPSQNFTZRBNAC-DOTOQJQBSA-N 1 3 307.482 2.051 20 0 DEADHO CCN(C(=O)CN1CC[C@H](C)C1)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001405173974 1163991268 /nfs/dbraw/zinc/99/12/68/1163991268.db2.gz BUPSQNFTZRBNAC-DOTOQJQBSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1cccnc1 ZINC001405296036 1164043678 /nfs/dbraw/zinc/04/36/78/1164043678.db2.gz CDLHULFUBNQLKD-MRXNPFEDSA-N 1 3 320.481 2.044 20 0 DEADHO C[C@H](C[NH2+]Cc1ccsc1)N(C)C(=O)CN(C)C1CCC1 ZINC001405838592 1164281228 /nfs/dbraw/zinc/28/12/28/1164281228.db2.gz UPQFMQOQRIFMLZ-CYBMUJFWSA-N 1 3 309.479 2.169 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(F)c1)N(C)C ZINC001405886095 1164312103 /nfs/dbraw/zinc/31/21/03/1164312103.db2.gz GIIDBCVUCGLELW-PBHICJAKSA-N 1 3 323.456 2.348 20 0 DEADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001405918821 1164334795 /nfs/dbraw/zinc/33/47/95/1164334795.db2.gz ORHNFGARZCBING-ZIAGYGMSSA-N 1 3 319.440 2.199 20 0 DEADHO CC(C)[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccccc1 ZINC001406050773 1164409307 /nfs/dbraw/zinc/40/93/07/1164409307.db2.gz XDXHEJAIIIFQNM-AEFFLSMTSA-N 1 3 317.477 2.259 20 0 DEADHO Cc1cccc(C)c1C[NH2+]C[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001406524299 1164656008 /nfs/dbraw/zinc/65/60/08/1164656008.db2.gz VMSSKXDFFFXRKC-YOEHRIQHSA-N 1 3 317.477 2.240 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[N@H+](C)Cc1ccc(C)cc1 ZINC001406682216 1164786976 /nfs/dbraw/zinc/78/69/76/1164786976.db2.gz DSTWXOUWWIPDQZ-MRXNPFEDSA-N 1 3 305.466 2.273 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(C)cc1 ZINC001406682216 1164786982 /nfs/dbraw/zinc/78/69/82/1164786982.db2.gz DSTWXOUWWIPDQZ-MRXNPFEDSA-N 1 3 305.466 2.273 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC(C)C ZINC001406721736 1164807596 /nfs/dbraw/zinc/80/75/96/1164807596.db2.gz SYEOWWWSKRVKNZ-GJZGRUSLSA-N 1 3 306.454 2.181 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@H+](C)C/C=C/c1ccccc1 ZINC001406732517 1164810197 /nfs/dbraw/zinc/81/01/97/1164810197.db2.gz YQDNPLGNMZJXAH-KQPPXVQYSA-N 1 3 317.477 2.477 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)C/C=C/c1ccccc1 ZINC001406732517 1164810198 /nfs/dbraw/zinc/81/01/98/1164810198.db2.gz YQDNPLGNMZJXAH-KQPPXVQYSA-N 1 3 317.477 2.477 20 0 DEADHO Cc1ccc(CC[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C(C)C)cc1 ZINC001406733343 1164810665 /nfs/dbraw/zinc/81/06/65/1164810665.db2.gz ZUYHMSAQKVGBDO-QGZVFWFLSA-N 1 3 319.493 2.314 20 0 DEADHO Cc1ccc(CC[N@H+](C)C[C@@H](C)NC(=O)CN(C)C(C)C)cc1 ZINC001406733343 1164810667 /nfs/dbraw/zinc/81/06/67/1164810667.db2.gz ZUYHMSAQKVGBDO-QGZVFWFLSA-N 1 3 319.493 2.314 20 0 DEADHO Cc1ccc(CC[N@@H+](C)C[C@H](C)NC(=O)CN(C)C(C)C)cc1 ZINC001406733342 1164810928 /nfs/dbraw/zinc/81/09/28/1164810928.db2.gz ZUYHMSAQKVGBDO-KRWDZBQOSA-N 1 3 319.493 2.314 20 0 DEADHO Cc1ccc(CC[N@H+](C)C[C@H](C)NC(=O)CN(C)C(C)C)cc1 ZINC001406733342 1164810930 /nfs/dbraw/zinc/81/09/30/1164810930.db2.gz ZUYHMSAQKVGBDO-KRWDZBQOSA-N 1 3 319.493 2.314 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]Cc1ccc(F)cc1)C1CC1 ZINC001406811398 1164837092 /nfs/dbraw/zinc/83/70/92/1164837092.db2.gz AMAMQQFFAWEXGO-QGZVFWFLSA-N 1 3 321.440 2.150 20 0 DEADHO CN(C)C1(C(=O)NCC2([NH2+]Cc3cccc(F)c3)CC2)CCC1 ZINC001406944342 1164889923 /nfs/dbraw/zinc/88/99/23/1164889923.db2.gz HXAVTTLGSCCWQY-UHFFFAOYSA-N 1 3 319.424 2.048 20 0 DEADHO Cc1cc(Cl)ccc1CNC1(CNC(=O)CC[NH+](C)C)CC1 ZINC001406948617 1164890334 /nfs/dbraw/zinc/89/03/34/1164890334.db2.gz BAHGLNBTBNRFMN-UHFFFAOYSA-N 1 3 323.868 2.339 20 0 DEADHO CC[C@@H](F)CNC1(CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001407010023 1164922560 /nfs/dbraw/zinc/92/25/60/1164922560.db2.gz QPWAEINXKJHNBT-MRXNPFEDSA-N 1 3 321.440 2.348 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1(C)CC[NH+](CCCF)CC1 ZINC001407128313 1164994932 /nfs/dbraw/zinc/99/49/32/1164994932.db2.gz PXTHDNQXQODTCG-HUUCEWRRSA-N 1 3 313.461 2.190 20 0 DEADHO CC[C@H](F)C[N@@H+]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001407863815 1165353668 /nfs/dbraw/zinc/35/36/68/1165353668.db2.gz ZGYQDLONQAJEOD-GJZGRUSLSA-N 1 3 313.461 2.190 20 0 DEADHO CC[C@H](F)C[N@H+]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001407863815 1165353670 /nfs/dbraw/zinc/35/36/70/1165353670.db2.gz ZGYQDLONQAJEOD-GJZGRUSLSA-N 1 3 313.461 2.190 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+][C@H]2CCCn3nccc32)CC1 ZINC001414186973 1165734661 /nfs/dbraw/zinc/73/46/61/1165734661.db2.gz ZWXZKGDQKPSPBW-PQUAAJSLSA-N 1 3 318.465 2.341 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCN1CCCC(C)(C)C1 ZINC001417728923 1167170690 /nfs/dbraw/zinc/17/06/90/1167170690.db2.gz QAXLXMSCGZOULB-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCN1CCCC(C)(C)C1 ZINC001417728923 1167170696 /nfs/dbraw/zinc/17/06/96/1167170696.db2.gz QAXLXMSCGZOULB-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2csc(C)c2)C1 ZINC001418045414 1167380298 /nfs/dbraw/zinc/38/02/98/1167380298.db2.gz HKBGPFKYQYDIPO-HNNXBMFYSA-N 1 3 309.479 2.089 20 0 DEADHO CCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001418174657 1167461393 /nfs/dbraw/zinc/46/13/93/1167461393.db2.gz MVZFDVBFVDBALR-DZGCQCFKSA-N 1 3 306.454 2.277 20 0 DEADHO CCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001418174657 1167461394 /nfs/dbraw/zinc/46/13/94/1167461394.db2.gz MVZFDVBFVDBALR-DZGCQCFKSA-N 1 3 306.454 2.277 20 0 DEADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccc(CF)cc1 ZINC001418574230 1167821714 /nfs/dbraw/zinc/82/17/14/1167821714.db2.gz FVTNZLQHYOFLJI-QGZVFWFLSA-N 1 3 321.440 2.046 20 0 DEADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccc(CF)cc1 ZINC001418574230 1167821716 /nfs/dbraw/zinc/82/17/16/1167821716.db2.gz FVTNZLQHYOFLJI-QGZVFWFLSA-N 1 3 321.440 2.046 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001418707684 1167899879 /nfs/dbraw/zinc/89/98/79/1167899879.db2.gz LIBXWFKGRALYCH-HSFUPAIVSA-N 1 3 321.509 2.247 20 0 DEADHO CC[C@@H](C)C[NH+]1CC(CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001419032903 1168147282 /nfs/dbraw/zinc/14/72/82/1168147282.db2.gz XCFCXIYCRJLXHM-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1ccc(F)cc1C ZINC001419273004 1168365714 /nfs/dbraw/zinc/36/57/14/1168365714.db2.gz YOMSJKVIKAKDLM-SJORKVTESA-N 1 3 323.456 2.459 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]C/C=C\Cl)C(C)C ZINC001419878069 1168887667 /nfs/dbraw/zinc/88/76/67/1168887667.db2.gz MUKFAJZMIIETSJ-JHSOUAKNSA-N 1 3 315.889 2.344 20 0 DEADHO Cc1cc(F)ccc1C[NH2+][C@H](C)CNC(=O)CN(C)C(C)C ZINC001419929776 1168948752 /nfs/dbraw/zinc/94/87/52/1168948752.db2.gz BPGVWZOAMIZYSG-CQSZACIVSA-N 1 3 309.429 2.069 20 0 DEADHO C[C@@H](c1ccccc1)[N@H+](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001420296622 1169332691 /nfs/dbraw/zinc/33/26/91/1169332691.db2.gz QYIAHHPJHOIJHU-CVEARBPZSA-N 1 3 303.450 2.137 20 0 DEADHO C[C@@H](c1ccccc1)[N@@H+](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001420296622 1169332701 /nfs/dbraw/zinc/33/27/01/1169332701.db2.gz QYIAHHPJHOIJHU-CVEARBPZSA-N 1 3 303.450 2.137 20 0 DEADHO Cc1cc(C[NH2+]C[C@@H](C)NC(=O)C2(N(C)C)CCC2)cs1 ZINC001420297954 1169333481 /nfs/dbraw/zinc/33/34/81/1169333481.db2.gz DPWWTZMUVZDUBV-GFCCVEGCSA-N 1 3 309.479 2.135 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+][C@H](C)c1ccccc1)N(C)C ZINC001420299363 1169336081 /nfs/dbraw/zinc/33/60/81/1169336081.db2.gz IPFAVPMEBDEKRE-INMHGKMJSA-N 1 3 305.466 2.428 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C ZINC001420339451 1169377473 /nfs/dbraw/zinc/37/74/73/1169377473.db2.gz CXFPOUAGFMOGOC-DYVFJYSZSA-N 1 3 316.449 2.102 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ccccc1C1CC1)N(C)C ZINC001420342876 1169380164 /nfs/dbraw/zinc/38/01/64/1169380164.db2.gz KBKKPOULGWHIEP-KDOFPFPSSA-N 1 3 317.477 2.499 20 0 DEADHO CCN(CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)Cc1cccc(F)c1 ZINC001420425359 1169525363 /nfs/dbraw/zinc/52/53/63/1169525363.db2.gz YYLZUUBDKJHRJA-OAHLLOKOSA-N 1 3 321.440 2.106 20 0 DEADHO CCN(CCNC(=O)C[N@H+]1CC[C@@H](C)C1)Cc1cccc(F)c1 ZINC001420425359 1169525372 /nfs/dbraw/zinc/52/53/72/1169525372.db2.gz YYLZUUBDKJHRJA-OAHLLOKOSA-N 1 3 321.440 2.106 20 0 DEADHO C[C@@H](C[NH2+]Cc1cccc(Cl)c1)NC(=O)CN1CC[C@H](C)C1 ZINC001420473568 1169621827 /nfs/dbraw/zinc/62/18/27/1169621827.db2.gz YJNVDJZHQSGLDB-KBPBESRZSA-N 1 3 323.868 2.276 20 0 DEADHO C[C@@H](CNCc1ccccc1Cl)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001420504523 1169676921 /nfs/dbraw/zinc/67/69/21/1169676921.db2.gz HMHUCPUYXRZVQS-UONOGXRCSA-N 1 3 323.868 2.276 20 0 DEADHO C[C@@H](CNCc1ccccc1Cl)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001420504523 1169676947 /nfs/dbraw/zinc/67/69/47/1169676947.db2.gz HMHUCPUYXRZVQS-UONOGXRCSA-N 1 3 323.868 2.276 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001420554305 1169788726 /nfs/dbraw/zinc/78/87/26/1169788726.db2.gz HDPDPMXJHVNENU-INIZCTEOSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001420554305 1169788745 /nfs/dbraw/zinc/78/87/45/1169788745.db2.gz HDPDPMXJHVNENU-INIZCTEOSA-N 1 3 321.509 2.345 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN1CCC1CCCCC1 ZINC001420872085 1171303706 /nfs/dbraw/zinc/30/37/06/1171303706.db2.gz LPKMLPZGEYZVND-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CC[C@H](F)CNC1(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001421002952 1171420567 /nfs/dbraw/zinc/42/05/67/1171420567.db2.gz ADFLGTPHWUNXFS-GJZGRUSLSA-N 1 3 313.461 2.093 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001421130230 1171517629 /nfs/dbraw/zinc/51/76/29/1171517629.db2.gz YHLKJEOYOKWDOC-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1cc(C)ccc1F ZINC001421483326 1171817738 /nfs/dbraw/zinc/81/77/38/1171817738.db2.gz AOZQIEIZXIKMBN-ZBFHGGJFSA-N 1 3 321.440 2.070 20 0 DEADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1cc(C)ccc1F ZINC001421483326 1171817742 /nfs/dbraw/zinc/81/77/42/1171817742.db2.gz AOZQIEIZXIKMBN-ZBFHGGJFSA-N 1 3 321.440 2.070 20 0 DEADHO CC[NH2+][C@@H](CNC(=O)[C@H](CC)N(C)C)c1ccccc1CC ZINC001421518400 1171831063 /nfs/dbraw/zinc/83/10/63/1171831063.db2.gz AWPWGYZIMMUKAM-IRXDYDNUSA-N 1 3 305.466 2.356 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCC1 ZINC001421735164 1171946053 /nfs/dbraw/zinc/94/60/53/1171946053.db2.gz GBQRSSOGPZUFRP-RDJZCZTQSA-N 1 3 309.498 2.391 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CCC(C)(C)C)CCC1 ZINC001421780938 1171992062 /nfs/dbraw/zinc/99/20/62/1171992062.db2.gz WRILNHRZIQADCQ-UHFFFAOYSA-N 1 3 306.454 2.325 20 0 DEADHO CC[N@H+](C)CCC(=O)NCc1ccc2c(c1)CN(CC1CC1)C2 ZINC001422014514 1172232185 /nfs/dbraw/zinc/23/21/85/1172232185.db2.gz ZUUFNIHLFNDAEQ-UHFFFAOYSA-N 1 3 315.461 2.370 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCc1ccc2c(c1)CN(CC1CC1)C2 ZINC001422014514 1172232187 /nfs/dbraw/zinc/23/21/87/1172232187.db2.gz ZUUFNIHLFNDAEQ-UHFFFAOYSA-N 1 3 315.461 2.370 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@H](C)[NH2+]Cc1ccccc1F ZINC001422171987 1172369251 /nfs/dbraw/zinc/36/92/51/1172369251.db2.gz FWMZLRGFKMODOG-AWEZNQCLSA-N 1 3 309.429 2.150 20 0 DEADHO CC1(N2CCOCC2)CCC([NH2+][C@H](CO)C2CCCC2)CC1 ZINC001423244567 1173181939 /nfs/dbraw/zinc/18/19/39/1173181939.db2.gz UGMPFLYTUXZESO-LXPRWKDFSA-N 1 3 310.482 2.161 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCc2cccs2)C[C@@H]1C ZINC001423349452 1173279579 /nfs/dbraw/zinc/27/95/79/1173279579.db2.gz IICNRYQDBOJEFA-LSDHHAIUSA-N 1 3 323.506 2.210 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)C1CC[NH+](CCCF)CC1 ZINC001423665230 1173476967 /nfs/dbraw/zinc/47/69/67/1173476967.db2.gz ZTDXGXJKVFLHIY-AWEZNQCLSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC(C)([NH2+]CC[C@@H](C)F)CC1)N(C)C ZINC001424493255 1173809765 /nfs/dbraw/zinc/80/97/65/1173809765.db2.gz WIFVCXAAROOBEZ-HUUCEWRRSA-N 1 3 315.477 2.291 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C/C=C/Cl ZINC001424626208 1173851083 /nfs/dbraw/zinc/85/10/83/1173851083.db2.gz ZUTYIICQJLEODZ-HXUSNMGPSA-N 1 3 301.862 2.098 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C/C=C\Cl ZINC001424626206 1173851238 /nfs/dbraw/zinc/85/12/38/1173851238.db2.gz ZUTYIICQJLEODZ-GZINKLOPSA-N 1 3 301.862 2.098 20 0 DEADHO CC[N@H+](CCC1CC1)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001424658502 1173857476 /nfs/dbraw/zinc/85/74/76/1173857476.db2.gz ICTPEEFLHJQGFY-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+](CCC1CC1)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001424658502 1173857480 /nfs/dbraw/zinc/85/74/80/1173857480.db2.gz ICTPEEFLHJQGFY-SFHVURJKSA-N 1 3 321.509 2.441 20 0 DEADHO CC[NH+]1CCC([C@H](C)NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001426195257 1174641248 /nfs/dbraw/zinc/64/12/48/1174641248.db2.gz VMMAPSZYVIUVIW-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001433758705 1177977836 /nfs/dbraw/zinc/97/78/36/1177977836.db2.gz CYWHWBVJBRYKLO-CQSZACIVSA-N 1 3 314.433 2.287 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001433758705 1177977842 /nfs/dbraw/zinc/97/78/42/1177977842.db2.gz CYWHWBVJBRYKLO-CQSZACIVSA-N 1 3 314.433 2.287 20 0 DEADHO CN1C[C@H](NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001434380380 1178425455 /nfs/dbraw/zinc/42/54/55/1178425455.db2.gz JTJFJQVOODLNCP-HOTGVXAUSA-N 1 3 303.450 2.136 20 0 DEADHO Cc1ncccc1CNCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001434509274 1178718155 /nfs/dbraw/zinc/71/81/55/1178718155.db2.gz OQRKNDHGKGVGFU-LJQANCHMSA-N 1 3 311.429 2.246 20 0 DEADHO Cc1ncccc1CNCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001434509274 1178718169 /nfs/dbraw/zinc/71/81/69/1178718169.db2.gz OQRKNDHGKGVGFU-LJQANCHMSA-N 1 3 311.429 2.246 20 0 DEADHO CC(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001436462930 1179115164 /nfs/dbraw/zinc/11/51/64/1179115164.db2.gz YONOYWHGAPRYAA-CVEARBPZSA-N 1 3 318.465 2.169 20 0 DEADHO CC(C)CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001436462930 1179115172 /nfs/dbraw/zinc/11/51/72/1179115172.db2.gz YONOYWHGAPRYAA-CVEARBPZSA-N 1 3 318.465 2.169 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCc2cccc(F)c2)CC[N@@H+]1C ZINC001437124788 1179447650 /nfs/dbraw/zinc/44/76/50/1179447650.db2.gz AMUSRRWTLBVYST-RRQGHBQHSA-N 1 3 321.440 2.150 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCc2cccc(F)c2)CC[N@H+]1C ZINC001437124788 1179447669 /nfs/dbraw/zinc/44/76/69/1179447669.db2.gz AMUSRRWTLBVYST-RRQGHBQHSA-N 1 3 321.440 2.150 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CNC(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001437142141 1179477349 /nfs/dbraw/zinc/47/73/49/1179477349.db2.gz CRQOQKAGXGMTQC-INIZCTEOSA-N 1 3 317.477 2.382 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCc1ccccc1F ZINC001437150279 1179489282 /nfs/dbraw/zinc/48/92/82/1179489282.db2.gz GHHWCDVXFIKVKO-RHSMWYFYSA-N 1 3 321.440 2.294 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCc1ccccc1F ZINC001437150279 1179489316 /nfs/dbraw/zinc/48/93/16/1179489316.db2.gz GHHWCDVXFIKVKO-RHSMWYFYSA-N 1 3 321.440 2.294 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+][C@@H]1CCc2c1cccc2F ZINC001437264063 1179677990 /nfs/dbraw/zinc/67/79/90/1179677990.db2.gz UTADVDZZXNBDRV-SUMWQHHRSA-N 1 3 321.440 2.248 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)C2CC[NH+](C)CC2)c(C)c1 ZINC001437516536 1179833074 /nfs/dbraw/zinc/83/30/74/1179833074.db2.gz STGUZXDJUFTBQK-UHFFFAOYSA-N 1 3 317.477 2.193 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CC[N@H+](CCCF)C1)N1CCCCC1 ZINC001437711331 1179897047 /nfs/dbraw/zinc/89/70/47/1179897047.db2.gz ZZGGYRYQDOQNHG-OAHLLOKOSA-N 1 3 313.461 2.049 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CC[N@@H+](CCCF)C1)N1CCCCC1 ZINC001437711331 1179897050 /nfs/dbraw/zinc/89/70/50/1179897050.db2.gz ZZGGYRYQDOQNHG-OAHLLOKOSA-N 1 3 313.461 2.049 20 0 DEADHO CC[C@@H](F)C[N@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001438004993 1180153475 /nfs/dbraw/zinc/15/34/75/1180153475.db2.gz KUOWSDHSGMTNHG-MRXNPFEDSA-N 1 3 313.461 2.001 20 0 DEADHO CC[C@@H](F)C[N@@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001438004993 1180153480 /nfs/dbraw/zinc/15/34/80/1180153480.db2.gz KUOWSDHSGMTNHG-MRXNPFEDSA-N 1 3 313.461 2.001 20 0 DEADHO CN(CC[N@H+](C)CC1CCCCCC1)C(=O)Cc1c[nH]cn1 ZINC001438921702 1180851448 /nfs/dbraw/zinc/85/14/48/1180851448.db2.gz SQVNUJDQKQSCGS-UHFFFAOYSA-N 1 3 306.454 2.313 20 0 DEADHO CN(CC[N@@H+](C)CC1CCCCCC1)C(=O)Cc1c[nH]cn1 ZINC001438921702 1180851451 /nfs/dbraw/zinc/85/14/51/1180851451.db2.gz SQVNUJDQKQSCGS-UHFFFAOYSA-N 1 3 306.454 2.313 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]CCC(F)(F)F)CC1 ZINC001439612761 1181170495 /nfs/dbraw/zinc/17/04/95/1181170495.db2.gz QSCOLJCSNZJRSQ-LBPRGKRZSA-N 1 3 321.387 2.052 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCCN(C/C=C/Cl)CC1 ZINC001440396329 1181479835 /nfs/dbraw/zinc/47/98/35/1181479835.db2.gz HWYFMHOPZBSRTH-FUVBFXSKSA-N 1 3 315.889 2.442 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(C/C=C/Cl)CC1 ZINC001440396329 1181479844 /nfs/dbraw/zinc/47/98/44/1181479844.db2.gz HWYFMHOPZBSRTH-FUVBFXSKSA-N 1 3 315.889 2.442 20 0 DEADHO CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001440485456 1181550645 /nfs/dbraw/zinc/55/06/45/1181550645.db2.gz UAKASUGUDJFNKR-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001440485456 1181550660 /nfs/dbraw/zinc/55/06/60/1181550660.db2.gz UAKASUGUDJFNKR-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)CC[N@@H+]1CC1CCC1 ZINC001440649696 1181626986 /nfs/dbraw/zinc/62/69/86/1181626986.db2.gz KHRKACUSYLBWSP-GOEBONIOSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)CC[N@H+]1CC1CCC1 ZINC001440649696 1181626990 /nfs/dbraw/zinc/62/69/90/1181626990.db2.gz KHRKACUSYLBWSP-GOEBONIOSA-N 1 3 307.482 2.240 20 0 DEADHO CC[C@H](F)C[NH2+]CC(C)(C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001440879126 1181740394 /nfs/dbraw/zinc/74/03/94/1181740394.db2.gz XXVXMNBOUFUCRX-AWEZNQCLSA-N 1 3 315.477 2.293 20 0 DEADHO Cc1ccc(CN2CC([C@@H](C)NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001441176748 1181883919 /nfs/dbraw/zinc/88/39/19/1181883919.db2.gz ILOMKKWENOCPRV-MRXNPFEDSA-N 1 3 317.477 2.273 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]([NH2+]C/C=C/Cl)C1CC1 ZINC001441203190 1181893816 /nfs/dbraw/zinc/89/38/16/1181893816.db2.gz NTVVCCGIJKLSQK-VSWCJUERSA-N 1 3 313.873 2.098 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H](C)C1CN(Cc2ccc(C)cc2)C1 ZINC001441207461 1181895053 /nfs/dbraw/zinc/89/50/53/1181895053.db2.gz HCAPQFPZRHXAIM-MRXNPFEDSA-N 1 3 317.477 2.273 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H](C)C1CN(Cc2ccc(C)cc2)C1 ZINC001441207461 1181895057 /nfs/dbraw/zinc/89/50/57/1181895057.db2.gz HCAPQFPZRHXAIM-MRXNPFEDSA-N 1 3 317.477 2.273 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CC1CCC1)C1CC1 ZINC001441436735 1181994557 /nfs/dbraw/zinc/99/45/57/1181994557.db2.gz VJLABEYFWZYURN-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]CC1CC(C)(C)C1 ZINC001441540344 1182048284 /nfs/dbraw/zinc/04/82/84/1182048284.db2.gz QRTWUHXXDJUVSJ-CQSZACIVSA-N 1 3 309.498 2.343 20 0 DEADHO CN(CC(=O)N1CCCC[C@H]1C[NH2+]CC1CC1)CC(C)(C)C ZINC001441653463 1182114642 /nfs/dbraw/zinc/11/46/42/1182114642.db2.gz ANCJOLYNJSVSAR-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CN(CC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)CC(C)(C)C ZINC001442035324 1182295780 /nfs/dbraw/zinc/29/57/80/1182295780.db2.gz VAOIXPHBIVONAC-QGZVFWFLSA-N 1 3 319.493 2.253 20 0 DEADHO CCC(CC)C[N@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001442211229 1182368675 /nfs/dbraw/zinc/36/86/75/1182368675.db2.gz IBUWSNWWXJAECC-MRXNPFEDSA-N 1 3 306.454 2.311 20 0 DEADHO CCC(CC)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001442211229 1182368682 /nfs/dbraw/zinc/36/86/82/1182368682.db2.gz IBUWSNWWXJAECC-MRXNPFEDSA-N 1 3 306.454 2.311 20 0 DEADHO CC[C@H](F)C[NH2+]C1CC(N(C)C(=O)CN(C)CC(C)(C)C)C1 ZINC001442251728 1182390692 /nfs/dbraw/zinc/39/06/92/1182390692.db2.gz INEIRISOOPQHIF-NFOMZHRRSA-N 1 3 315.477 2.291 20 0 DEADHO CC[C@@H](F)C[NH2+]C1CC(N(C)C(=O)CN(C)CC(C)(C)C)C1 ZINC001442251730 1182391318 /nfs/dbraw/zinc/39/13/18/1182391318.db2.gz INEIRISOOPQHIF-WLYUNCDWSA-N 1 3 315.477 2.291 20 0 DEADHO Cc1cccc(C)c1CN(C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001442571739 1182546649 /nfs/dbraw/zinc/54/66/49/1182546649.db2.gz FLMHVNHEBQUNSW-QGZVFWFLSA-N 1 3 317.477 2.193 20 0 DEADHO Cc1cccc(C)c1CN(C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001442571739 1182546653 /nfs/dbraw/zinc/54/66/53/1182546653.db2.gz FLMHVNHEBQUNSW-QGZVFWFLSA-N 1 3 317.477 2.193 20 0 DEADHO CCN(C/C=C\c1ccccc1)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001442744191 1182681851 /nfs/dbraw/zinc/68/18/51/1182681851.db2.gz KWYHSZWLCXWYAI-IEODJVTJSA-N 1 3 315.461 2.090 20 0 DEADHO CCN(C/C=C\c1ccccc1)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001442744191 1182681858 /nfs/dbraw/zinc/68/18/58/1182681858.db2.gz KWYHSZWLCXWYAI-IEODJVTJSA-N 1 3 315.461 2.090 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H](C[N@H+](C)C/C=C\Cl)C2)CCC1 ZINC001443316331 1182923066 /nfs/dbraw/zinc/92/30/66/1182923066.db2.gz AMLJRBNMTYAXQP-VYLZPFMQSA-N 1 3 313.873 2.004 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H](C[N@@H+](C)C/C=C\Cl)C2)CCC1 ZINC001443316331 1182923070 /nfs/dbraw/zinc/92/30/70/1182923070.db2.gz AMLJRBNMTYAXQP-VYLZPFMQSA-N 1 3 313.873 2.004 20 0 DEADHO Cc1ccccc1C[NH+]1CC(CNC(=O)CN(C)C2CCC2)C1 ZINC001443588718 1183042891 /nfs/dbraw/zinc/04/28/91/1183042891.db2.gz NXDFBFVNJLUSJF-UHFFFAOYSA-N 1 3 315.461 2.027 20 0 DEADHO CC(C)[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]C/C=C/Cl ZINC001444918334 1183646682 /nfs/dbraw/zinc/64/66/82/1183646682.db2.gz VWSKOEYFSXJKNM-NPQIQWPPSA-N 1 3 317.905 2.447 20 0 DEADHO C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]1CNC/C(Cl)=C/Cl ZINC001445114909 1183780892 /nfs/dbraw/zinc/78/08/92/1183780892.db2.gz PYTZNWNIDNMGDP-PPHUXIPZSA-N 1 3 322.280 2.132 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001446014481 1184178458 /nfs/dbraw/zinc/17/84/58/1184178458.db2.gz MDTWYGAZBFDBAV-MRXNPFEDSA-N 1 3 309.498 2.247 20 0 DEADHO CC(C)[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001446577962 1184423715 /nfs/dbraw/zinc/42/37/15/1184423715.db2.gz OMPABJFJGKPSAI-GOSISDBHSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CCC(F)(F)F)C1 ZINC001446943668 1184586106 /nfs/dbraw/zinc/58/61/06/1184586106.db2.gz MOHMECPUAUTFTM-OLZOCXBDSA-N 1 3 323.403 2.106 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001447447365 1184779308 /nfs/dbraw/zinc/77/93/08/1184779308.db2.gz YAZWYJJUFOPBMF-GOSISDBHSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001447447365 1184779314 /nfs/dbraw/zinc/77/93/14/1184779314.db2.gz YAZWYJJUFOPBMF-GOSISDBHSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[C@H](CCN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CC1CC1 ZINC001448213691 1185116451 /nfs/dbraw/zinc/11/64/51/1185116451.db2.gz LYLRQYKPAXVQFR-INIZCTEOSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(CC[N@H+](C)Cc1ccccc1)C(=O)[C@@H]1CCCN1C ZINC001449257191 1185594010 /nfs/dbraw/zinc/59/40/10/1185594010.db2.gz IVWLRDMOBMVENX-SFHVURJKSA-N 1 3 317.477 2.450 20 0 DEADHO CC(C)N(CC[N@@H+](C)Cc1ccccc1)C(=O)[C@@H]1CCCN1C ZINC001449257191 1185594029 /nfs/dbraw/zinc/59/40/29/1185594029.db2.gz IVWLRDMOBMVENX-SFHVURJKSA-N 1 3 317.477 2.450 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC2(C1)CC[N@H+](CC1CCCC1)C2)N(C)C ZINC001072832229 790265313 /nfs/dbraw/zinc/26/53/13/790265313.db2.gz ACXUTEUTLQVHEU-KRWDZBQOSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CC1CCCC1)C2)N(C)C ZINC001072832229 790265316 /nfs/dbraw/zinc/26/53/16/790265316.db2.gz ACXUTEUTLQVHEU-KRWDZBQOSA-N 1 3 321.509 2.297 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCF)C2)c1 ZINC001332340962 1149851436 /nfs/dbraw/zinc/85/14/36/1149851436.db2.gz NBFBDGDFUHUFJC-WMLDXEAASA-N 1 3 321.440 2.206 20 0 DEADHO CCC(CC)C[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001408358768 1165613006 /nfs/dbraw/zinc/61/30/06/1165613006.db2.gz XSYQUGWZTIHJSI-MRXNPFEDSA-N 1 3 306.454 2.311 20 0 DEADHO CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001106783150 782932722 /nfs/dbraw/zinc/93/27/22/782932722.db2.gz ISQWLCJECHAXQY-PIIXRYACSA-N 1 3 309.498 2.369 20 0 DEADHO CC(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(N(C)C)CCC1)C2 ZINC001112396696 782937299 /nfs/dbraw/zinc/93/72/99/782937299.db2.gz AAAFGFKVMIJKQN-WMZOPIPTSA-N 1 3 321.509 2.345 20 0 DEADHO CCC[N@@H+]1CC[C@@H](NC(=O)CN2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493649 783159242 /nfs/dbraw/zinc/15/92/42/783159242.db2.gz YNFVRHMKDGIXMK-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CC[C@@H](NC(=O)CN2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493649 783159246 /nfs/dbraw/zinc/15/92/46/783159246.db2.gz YNFVRHMKDGIXMK-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CC[N@@H+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001072983477 790356781 /nfs/dbraw/zinc/35/67/81/790356781.db2.gz XYPDKOVXXZQVLH-UHFFFAOYSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)CC[N@H+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001072983477 790356795 /nfs/dbraw/zinc/35/67/95/790356795.db2.gz XYPDKOVXXZQVLH-UHFFFAOYSA-N 1 3 321.509 2.299 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]CC[C@H](C)F)C1 ZINC001208454599 776594499 /nfs/dbraw/zinc/59/44/99/776594499.db2.gz YWPPKAWWZINXBR-UONOGXRCSA-N 1 3 301.450 2.045 20 0 DEADHO CC[C@@H](C)C[NH2+]CC1(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001167224464 776780221 /nfs/dbraw/zinc/78/02/21/776780221.db2.gz KQJYVTVERQJQSI-HZPDHXFCSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001104292323 776950897 /nfs/dbraw/zinc/95/08/97/776950897.db2.gz VCTASNYESJOJQF-KBAYOESNSA-N 1 3 321.509 2.367 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CC1 ZINC001087166081 777164380 /nfs/dbraw/zinc/16/43/80/777164380.db2.gz YFKXDQBFZCEPEG-BPQIPLTHSA-N 1 3 321.509 2.486 20 0 DEADHO C[C@@H]1C[N@H+](CC(C)(C)CN(C)C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001207287354 777332023 /nfs/dbraw/zinc/33/20/23/777332023.db2.gz BUAACQXXANEHSN-KGLIPLIRSA-N 1 3 313.486 2.419 20 0 DEADHO C[C@@H]1C[N@@H+](CC(C)(C)CN(C)C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001207287354 777332027 /nfs/dbraw/zinc/33/20/27/777332027.db2.gz BUAACQXXANEHSN-KGLIPLIRSA-N 1 3 313.486 2.419 20 0 DEADHO CC(C)=CC[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001104679083 778017489 /nfs/dbraw/zinc/01/74/89/778017489.db2.gz FUFNKNWDMNAZLS-KZNAEPCWSA-N 1 3 321.509 2.369 20 0 DEADHO CC[C@@H](C)C[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104728862 778050699 /nfs/dbraw/zinc/05/06/99/778050699.db2.gz DSTMIFMFJRCTHS-RBSFLKMASA-N 1 3 306.454 2.073 20 0 DEADHO Cc1cccc(N2CCN(CCC3CC[NH+](C)CC3)CC2)n1 ZINC001207479462 778284604 /nfs/dbraw/zinc/28/46/04/778284604.db2.gz JNWWLMIVLQUGQB-UHFFFAOYSA-N 1 3 302.466 2.244 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CC=C(C)C)C2 ZINC001073462499 790671419 /nfs/dbraw/zinc/67/14/19/790671419.db2.gz UJDNOAGZLUCCIF-QGZVFWFLSA-N 1 3 319.493 2.361 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CC=C(C)C)C2 ZINC001073462499 790671426 /nfs/dbraw/zinc/67/14/26/790671426.db2.gz UJDNOAGZLUCCIF-QGZVFWFLSA-N 1 3 319.493 2.361 20 0 DEADHO CC(=O)N1CC([NH2+]C2C[C@@H](C)N(Cc3ccccc3)[C@H](C)C2)C1 ZINC001168029652 779491307 /nfs/dbraw/zinc/49/13/07/779491307.db2.gz UHEIFWVPRUQSNO-HUUCEWRRSA-N 1 3 315.461 2.248 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C1 ZINC001087995206 779621539 /nfs/dbraw/zinc/62/15/39/779621539.db2.gz YVVZWFLDBXUOOX-ZACQAIPSSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C1 ZINC001087995206 779621544 /nfs/dbraw/zinc/62/15/44/779621544.db2.gz YVVZWFLDBXUOOX-ZACQAIPSSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCC(C)C)CC[C@@H]2C1)N(C)C ZINC001088011589 779631653 /nfs/dbraw/zinc/63/16/53/779631653.db2.gz UOBZKGZVBFPVEV-IXDOHACOSA-N 1 3 309.498 2.153 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CCC(C)C)CC[C@@H]2C1)N(C)C ZINC001088011589 779631656 /nfs/dbraw/zinc/63/16/56/779631656.db2.gz UOBZKGZVBFPVEV-IXDOHACOSA-N 1 3 309.498 2.153 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088105820 779706263 /nfs/dbraw/zinc/70/62/63/779706263.db2.gz DJOVRTXZGACMGM-BBWFWOEESA-N 1 3 307.482 2.051 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088105820 779706268 /nfs/dbraw/zinc/70/62/68/779706268.db2.gz DJOVRTXZGACMGM-BBWFWOEESA-N 1 3 307.482 2.051 20 0 DEADHO CCN(C)C(C)(C)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC001228039213 779942782 /nfs/dbraw/zinc/94/27/82/779942782.db2.gz AATIGIPNZFGFMW-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[NH2+][C@@H]1CCCCCN(C(=O)CN(C)C2CCC2)C1 ZINC001088327022 779958897 /nfs/dbraw/zinc/95/88/97/779958897.db2.gz DFCWZZSSWUFRHZ-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO COC(=O)C[C@@H](NC1CCC([NH+](C)C)CC1)c1ccccn1 ZINC001168305913 780821520 /nfs/dbraw/zinc/82/15/20/780821520.db2.gz UHDNMHLSBYUURW-ZBCRRDGASA-N 1 3 305.422 2.148 20 0 DEADHO CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)C23CCCN2CCC3)[C@H]1C ZINC001088702202 780862553 /nfs/dbraw/zinc/86/25/53/780862553.db2.gz IXDKMERTTPUQPK-XHSDSOJGSA-N 1 3 307.482 2.240 20 0 DEADHO CC[C@H](C)C[N@H+]1CC[C@H](NC(=O)C23CCCN2CCC3)[C@H]1C ZINC001088702202 780862563 /nfs/dbraw/zinc/86/25/63/780862563.db2.gz IXDKMERTTPUQPK-XHSDSOJGSA-N 1 3 307.482 2.240 20 0 DEADHO CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001076322186 781216290 /nfs/dbraw/zinc/21/62/90/781216290.db2.gz KDBITRVFHWRFPG-IXDOHACOSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001076322186 781216295 /nfs/dbraw/zinc/21/62/95/781216295.db2.gz KDBITRVFHWRFPG-IXDOHACOSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1CCC1CC1 ZINC001085628848 783904486 /nfs/dbraw/zinc/90/44/86/783904486.db2.gz GNXLNKCRPHBKNS-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1CCC1CC1 ZINC001085628848 783904492 /nfs/dbraw/zinc/90/44/92/783904492.db2.gz GNXLNKCRPHBKNS-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CC1 ZINC001085628848 783904495 /nfs/dbraw/zinc/90/44/95/783904495.db2.gz GNXLNKCRPHBKNS-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC1CC1 ZINC001085628848 783904498 /nfs/dbraw/zinc/90/44/98/783904498.db2.gz GNXLNKCRPHBKNS-SJORKVTESA-N 1 3 307.482 2.194 20 0 DEADHO COCCCC1(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CCC1 ZINC001333680935 1150078571 /nfs/dbraw/zinc/07/85/71/1150078571.db2.gz CTAYEVDYZVSIOK-GOSISDBHSA-N 1 3 323.525 2.295 20 0 DEADHO COCCCC1(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CCC1 ZINC001333680935 1150078575 /nfs/dbraw/zinc/07/85/75/1150078575.db2.gz CTAYEVDYZVSIOK-GOSISDBHSA-N 1 3 323.525 2.295 20 0 DEADHO CN(C[C@H]1CCN1CC1=CCCCC1)C(=O)C1CC[NH+](C)CC1 ZINC001085799006 784096399 /nfs/dbraw/zinc/09/63/99/784096399.db2.gz GUMIKQCUCIUELN-GOSISDBHSA-N 1 3 319.493 2.361 20 0 DEADHO CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085875973 784166802 /nfs/dbraw/zinc/16/68/02/784166802.db2.gz NLKBQEORJXZTSV-QGZVFWFLSA-N 1 3 303.450 2.305 20 0 DEADHO CC(C)[NH2+][C@H]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001086278326 784539772 /nfs/dbraw/zinc/53/97/72/784539772.db2.gz RCVYOLUPEAMIQD-FZNQNYSPSA-N 1 3 303.450 2.255 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC2)C1 ZINC001086382450 784633787 /nfs/dbraw/zinc/63/37/87/784633787.db2.gz IOVBJUZOSWQTMK-BRWVUGGUSA-N 1 3 307.482 2.145 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(F)cc3)C2)CCC1 ZINC000968904168 784644091 /nfs/dbraw/zinc/64/40/91/784644091.db2.gz MHOQQCISPBRRJZ-MRXNPFEDSA-N 1 3 319.424 2.001 20 0 DEADHO Cc1ncn(-c2cc3nc[nH]c3c(F)c2)c1CSCC[NH3+] ZINC001168796829 784919327 /nfs/dbraw/zinc/91/93/27/784919327.db2.gz BVSGIYDKRDWVOP-UHFFFAOYSA-N 1 3 305.382 2.388 20 0 DEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H](CO)Cc1ccc(Cl)cc1)C2 ZINC001169098382 785032928 /nfs/dbraw/zinc/03/29/28/785032928.db2.gz GVMNYSUHFQQBBP-NXOAAHMSSA-N 1 3 308.853 2.458 20 0 DEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H](CO)Cc1ccc(Cl)cc1)C2 ZINC001169098382 785032937 /nfs/dbraw/zinc/03/29/37/785032937.db2.gz GVMNYSUHFQQBBP-NXOAAHMSSA-N 1 3 308.853 2.458 20 0 DEADHO COCC1(N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)Cc2ccccc2C1 ZINC001169123409 785044858 /nfs/dbraw/zinc/04/48/58/785044858.db2.gz KZVDITHGTLSFHK-BCDXTJNWSA-N 1 3 300.446 2.385 20 0 DEADHO COCC1(N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)Cc2ccccc2C1 ZINC001169123409 785044860 /nfs/dbraw/zinc/04/48/60/785044860.db2.gz KZVDITHGTLSFHK-BCDXTJNWSA-N 1 3 300.446 2.385 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@H](F)[C@@](O)(C(F)(F)F)CC1)C2 ZINC001169126736 785045555 /nfs/dbraw/zinc/04/55/55/785045555.db2.gz XDLVAKOGIJFVKG-MBJXGIAVSA-N 1 3 324.362 2.339 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@H](F)[C@@](O)(C(F)(F)F)CC1)C2 ZINC001169126736 785045562 /nfs/dbraw/zinc/04/55/62/785045562.db2.gz XDLVAKOGIJFVKG-MBJXGIAVSA-N 1 3 324.362 2.339 20 0 DEADHO C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3C)CC[C@]1(O)C(F)(F)F ZINC001169124894 785046431 /nfs/dbraw/zinc/04/64/31/785046431.db2.gz GIFAJZASRIZLRR-RKQHYHRCSA-N 1 3 306.372 2.247 20 0 DEADHO C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3C)CC[C@]1(O)C(F)(F)F ZINC001169124894 785046439 /nfs/dbraw/zinc/04/64/39/785046439.db2.gz GIFAJZASRIZLRR-RKQHYHRCSA-N 1 3 306.372 2.247 20 0 DEADHO CCc1nc(C2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)N4C)CC2)no1 ZINC001169153249 785067134 /nfs/dbraw/zinc/06/71/34/785067134.db2.gz IHPZWHJBYQHPLF-FICVDOATSA-N 1 3 304.438 2.437 20 0 DEADHO O=C(N[C@@H]1CCC[N@H+](CC2CCC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001008041996 785085937 /nfs/dbraw/zinc/08/59/37/785085937.db2.gz AHGJUIANYKMLDF-QZTJIDSGSA-N 1 3 319.493 2.242 20 0 DEADHO O=C(N[C@@H]1CCC[N@@H+](CC2CCC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001008041996 785085948 /nfs/dbraw/zinc/08/59/48/785085948.db2.gz AHGJUIANYKMLDF-QZTJIDSGSA-N 1 3 319.493 2.242 20 0 DEADHO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1ccnc(CN)c1 ZINC001169179829 785086134 /nfs/dbraw/zinc/08/61/34/785086134.db2.gz PYQKFVIKPGMJIK-UHFFFAOYSA-N 1 3 310.401 2.302 20 0 DEADHO O=C(N[C@H]1CCC[N@H+](CCC2CC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001008053127 785092007 /nfs/dbraw/zinc/09/20/07/785092007.db2.gz RTKBOOJIDLRKRF-ROUUACIJSA-N 1 3 319.493 2.242 20 0 DEADHO O=C(N[C@H]1CCC[N@@H+](CCC2CC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001008053127 785092020 /nfs/dbraw/zinc/09/20/20/785092020.db2.gz RTKBOOJIDLRKRF-ROUUACIJSA-N 1 3 319.493 2.242 20 0 DEADHO O=C(N[C@@H]1CCCN(CC2=CCCCC2)C1)C12CC[NH+](CC1)C2 ZINC001009227776 785412856 /nfs/dbraw/zinc/41/28/56/785412856.db2.gz WIJKEPWRRACADC-QGZVFWFLSA-N 1 3 317.477 2.163 20 0 DEADHO CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001109860307 786088663 /nfs/dbraw/zinc/08/86/63/786088663.db2.gz WTLJIAOPEPPSBQ-LTIDMASMSA-N 1 3 309.498 2.484 20 0 DEADHO CC(C)C[C@@H](C)CN1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001113291517 786504037 /nfs/dbraw/zinc/50/40/37/786504037.db2.gz BLNYTGKDVHUVKA-MRXNPFEDSA-N 1 3 309.498 2.155 20 0 DEADHO Cc1nc2ccc(NC[C@H]3O[C@H](C(C)C)O[C@@H]3C[NH3+])cc2[nH]1 ZINC001170276706 786881834 /nfs/dbraw/zinc/88/18/34/786881834.db2.gz IGGRFHMTKKLCKP-BZUAXINKSA-N 1 3 304.394 2.008 20 0 DEADHO CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001015505333 787085724 /nfs/dbraw/zinc/08/57/24/787085724.db2.gz TTYAGBYWSGTSAP-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CCC(CC)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001015505333 787085735 /nfs/dbraw/zinc/08/57/35/787085735.db2.gz TTYAGBYWSGTSAP-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+]Cc1ccccc1C(C)C)N(C)C ZINC001130205867 787315134 /nfs/dbraw/zinc/31/51/34/787315134.db2.gz ZBBFWNYRKRZCRZ-QGZVFWFLSA-N 1 3 305.466 2.356 20 0 DEADHO CCc1ccccc1CC[NH2+]CCNC(=O)C(C)(C)N(C)CC ZINC001130424930 787386228 /nfs/dbraw/zinc/38/62/28/787386228.db2.gz HJYOQKUTEPAAQS-UHFFFAOYSA-N 1 3 319.493 2.228 20 0 DEADHO Cn1cnc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c1 ZINC001170525802 787516696 /nfs/dbraw/zinc/51/66/96/787516696.db2.gz OYSHQLIDQBKQKS-UHFFFAOYSA-N 1 3 323.444 2.330 20 0 DEADHO CC(C)C[NH2+]C1CC(CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001100333404 787678814 /nfs/dbraw/zinc/67/88/14/787678814.db2.gz ALZPERCJNUCQAD-UHFFFAOYSA-N 1 3 309.498 2.391 20 0 DEADHO O=C(CN1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccsc1 ZINC001096545611 787722677 /nfs/dbraw/zinc/72/26/77/787722677.db2.gz HUPWXMCKRXLWIB-PMPSAXMXSA-N 1 3 319.474 2.065 20 0 DEADHO O=C(CN1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccsc1 ZINC001096545611 787722683 /nfs/dbraw/zinc/72/26/83/787722683.db2.gz HUPWXMCKRXLWIB-PMPSAXMXSA-N 1 3 319.474 2.065 20 0 DEADHO CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001096605004 787755031 /nfs/dbraw/zinc/75/50/31/787755031.db2.gz VAVDUQOZGMUICY-IKGGRYGDSA-N 1 3 301.434 2.103 20 0 DEADHO CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001096605004 787755037 /nfs/dbraw/zinc/75/50/37/787755037.db2.gz VAVDUQOZGMUICY-IKGGRYGDSA-N 1 3 301.434 2.103 20 0 DEADHO CC[C@@H](F)CNCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001131815409 787757003 /nfs/dbraw/zinc/75/70/03/787757003.db2.gz BQWLOEOYBUPDQK-CQSZACIVSA-N 1 3 301.450 2.095 20 0 DEADHO CC[C@@H](F)CNCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001131815409 787757011 /nfs/dbraw/zinc/75/70/11/787757011.db2.gz BQWLOEOYBUPDQK-CQSZACIVSA-N 1 3 301.450 2.095 20 0 DEADHO Cc1ccc(CN2C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]2C)cc1 ZINC001132274490 788006061 /nfs/dbraw/zinc/00/60/61/788006061.db2.gz VECLMXQZISSYQS-AEFFLSMTSA-N 1 3 317.477 2.416 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(C)C)C1 ZINC001132937471 788231592 /nfs/dbraw/zinc/23/15/92/788231592.db2.gz LJIQAUOINVMINA-HZPDHXFCSA-N 1 3 311.514 2.447 20 0 DEADHO CCC[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1C ZINC001133121236 788287566 /nfs/dbraw/zinc/28/75/66/788287566.db2.gz FNRYPRHTGQHLAI-HOTGVXAUSA-N 1 3 309.498 2.203 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001133182138 788308366 /nfs/dbraw/zinc/30/83/66/788308366.db2.gz OLQLYOHIYVANNW-NEFCLYRVSA-N 1 3 315.889 2.155 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC=C(C)C)C1 ZINC001133253310 788340704 /nfs/dbraw/zinc/34/07/04/788340704.db2.gz FPFXSRODKMJAKK-SJORKVTESA-N 1 3 309.498 2.369 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCC2CC2)C1 ZINC001133275852 788346065 /nfs/dbraw/zinc/34/60/65/788346065.db2.gz XJSKHZQSAPANTP-DOTOQJQBSA-N 1 3 309.498 2.203 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001133415538 788406508 /nfs/dbraw/zinc/40/65/08/788406508.db2.gz CDMHYVMSSOOWHE-NVXWUHKLSA-N 1 3 305.466 2.348 20 0 DEADHO CC(C)[C@H](C(=O)NCC[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001133419003 788409644 /nfs/dbraw/zinc/40/96/44/788409644.db2.gz IGWPEDXTIYHBMF-CQSZACIVSA-N 1 3 319.440 2.104 20 0 DEADHO CC[C@@H](C(=O)NCCNCc1ccc(C)nc1C)[NH+](CC)CC ZINC001133684230 788553701 /nfs/dbraw/zinc/55/37/01/788553701.db2.gz FRTBUNHJDJDJNV-KRWDZBQOSA-N 1 3 320.481 2.025 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCCOC ZINC001134773210 789073619 /nfs/dbraw/zinc/07/36/19/789073619.db2.gz NJHYCADZCINMAB-GJZGRUSLSA-N 1 3 315.502 2.016 20 0 DEADHO C[C@H](C[C@@H](C)NC(=O)CC[NH+](C)C)NC/C(Cl)=C\Cl ZINC001135371673 789303270 /nfs/dbraw/zinc/30/32/70/789303270.db2.gz HKHBYONVFSFBND-XGFGGAMFSA-N 1 3 310.269 2.130 20 0 DEADHO COC[C@@H]1CN(CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CCCOCC1)C2 ZINC001170811971 789320260 /nfs/dbraw/zinc/32/02/60/789320260.db2.gz PFYAPIKBCVISRE-IPMKNSEASA-N 1 3 322.493 2.236 20 0 DEADHO COC[C@@H]1CN(CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CCCOCC1)C2 ZINC001170811971 789320269 /nfs/dbraw/zinc/32/02/69/789320269.db2.gz PFYAPIKBCVISRE-IPMKNSEASA-N 1 3 322.493 2.236 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1oc(C)nc1C ZINC001135745985 789475728 /nfs/dbraw/zinc/47/57/28/789475728.db2.gz CRRWWWZHIUKDPK-STQMWFEESA-N 1 3 324.469 2.006 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1oc(C)nc1C ZINC001135861617 789537514 /nfs/dbraw/zinc/53/75/14/789537514.db2.gz UROGRAAJKVEICQ-STQMWFEESA-N 1 3 324.469 2.006 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1oc(C)nc1C ZINC001135861617 789537522 /nfs/dbraw/zinc/53/75/22/789537522.db2.gz UROGRAAJKVEICQ-STQMWFEESA-N 1 3 324.469 2.006 20 0 DEADHO CCCCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)CCC ZINC001135979281 789581965 /nfs/dbraw/zinc/58/19/65/789581965.db2.gz DQWLPXZZOUDWAQ-CVEARBPZSA-N 1 3 315.502 2.018 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCCCF ZINC001136032243 789601358 /nfs/dbraw/zinc/60/13/58/789601358.db2.gz YANNPRKVPIAHIB-OLZOCXBDSA-N 1 3 312.433 2.273 20 0 DEADHO CC(C)[N@@H+]1CCC2(CN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001072735799 790234549 /nfs/dbraw/zinc/23/45/49/790234549.db2.gz RBRAPCWQTAHTKX-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)[N@H+]1CCC2(CN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001072735799 790234554 /nfs/dbraw/zinc/23/45/54/790234554.db2.gz RBRAPCWQTAHTKX-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCc2ccccc2)[C@@H]1C)N(C)C ZINC001074709823 791271353 /nfs/dbraw/zinc/27/13/53/791271353.db2.gz RUTAHAOTRFYYPZ-RYQLBKOJSA-N 1 3 317.477 2.148 20 0 DEADHO CC(C)CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001147723985 791605896 /nfs/dbraw/zinc/60/58/96/791605896.db2.gz GZKZXVTWHKFZPZ-QGZVFWFLSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)CCC[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001147723985 791605899 /nfs/dbraw/zinc/60/58/99/791605899.db2.gz GZKZXVTWHKFZPZ-QGZVFWFLSA-N 1 3 321.509 2.297 20 0 DEADHO Cc1cc(CNCCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)cs1 ZINC001147834440 791634265 /nfs/dbraw/zinc/63/42/65/791634265.db2.gz JDPPOONBNQOAMX-HOTGVXAUSA-N 1 3 323.506 2.383 20 0 DEADHO CCCCCC[N@@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001148286747 791729762 /nfs/dbraw/zinc/72/97/62/791729762.db2.gz XXYYOUGYSQPPID-QGZVFWFLSA-N 1 3 321.509 2.443 20 0 DEADHO CCCCCC[N@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001148286747 791729771 /nfs/dbraw/zinc/72/97/71/791729771.db2.gz XXYYOUGYSQPPID-QGZVFWFLSA-N 1 3 321.509 2.443 20 0 DEADHO CCC/C=C/CC[N@@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001148351228 791735835 /nfs/dbraw/zinc/73/58/35/791735835.db2.gz HRIRCIIKRNCYQJ-SNAWJCMRSA-N 1 3 316.449 2.233 20 0 DEADHO CCC/C=C/CC[N@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001148351228 791735838 /nfs/dbraw/zinc/73/58/38/791735838.db2.gz HRIRCIIKRNCYQJ-SNAWJCMRSA-N 1 3 316.449 2.233 20 0 DEADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@H+](CC1=CCCCC1)C2 ZINC001148839993 791809525 /nfs/dbraw/zinc/80/95/25/791809525.db2.gz XFPBCMUWAUWKNK-UHFFFAOYSA-N 1 3 319.493 2.361 20 0 DEADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@@H+](CC1=CCCCC1)C2 ZINC001148839993 791809529 /nfs/dbraw/zinc/80/95/29/791809529.db2.gz XFPBCMUWAUWKNK-UHFFFAOYSA-N 1 3 319.493 2.361 20 0 DEADHO CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001086942561 791857420 /nfs/dbraw/zinc/85/74/20/791857420.db2.gz VIZJIKANPMFKOL-JKSUJKDBSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)=CC[N@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092011139 791922847 /nfs/dbraw/zinc/92/28/47/791922847.db2.gz QIEONBILIZJELV-LMMKCTJWSA-N 1 3 319.493 2.217 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092011139 791922849 /nfs/dbraw/zinc/92/28/49/791922849.db2.gz QIEONBILIZJELV-LMMKCTJWSA-N 1 3 319.493 2.217 20 0 DEADHO CC[C@H](C(=O)N1CCC([C@H]2[N@H+](CC)CC23CCC3)CC1)N(C)C ZINC001093374012 792348377 /nfs/dbraw/zinc/34/83/77/792348377.db2.gz XATAJYGSUGPVJL-IAGOWNOFSA-N 1 3 321.509 2.440 20 0 DEADHO CC[C@H](C(=O)N1CCC([C@H]2[N@@H+](CC)CC23CCC3)CC1)N(C)C ZINC001093374012 792348391 /nfs/dbraw/zinc/34/83/91/792348391.db2.gz XATAJYGSUGPVJL-IAGOWNOFSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCC1CC([NH2+]C/C=C\Cl)C1 ZINC001100320540 792589670 /nfs/dbraw/zinc/58/96/70/792589670.db2.gz HPORNLWPFSWLJS-AVEVHOPNSA-N 1 3 313.873 2.096 20 0 DEADHO CCC(CC)C[NH2+]C1CC(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001100406728 792632232 /nfs/dbraw/zinc/63/22/32/792632232.db2.gz KLTROCWOUHETMX-UHFFFAOYSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC2CC([NH2+]Cc3ccccc3)C2)C1 ZINC001100678527 792784527 /nfs/dbraw/zinc/78/45/27/792784527.db2.gz NZNSGGQVKYOPQJ-FAEJEUNOSA-N 1 3 315.461 2.013 20 0 DEADHO CC(C)=CC[NH2+]C1CC(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001100681465 792786275 /nfs/dbraw/zinc/78/62/75/792786275.db2.gz KKRUNXMYDZOWLX-UHFFFAOYSA-N 1 3 309.498 2.415 20 0 DEADHO CC[C@@H](C(=O)NCC1CC([NH2+]Cc2ccccc2)C1)N(C)C ZINC001100683641 792787645 /nfs/dbraw/zinc/78/76/45/792787645.db2.gz LJSLKDPJRRAXLT-JCYILVPMSA-N 1 3 303.450 2.011 20 0 DEADHO CCCN(C)CC(=O)NCC1CC([NH2+]CC=C(Cl)Cl)C1 ZINC001100904734 792910323 /nfs/dbraw/zinc/91/03/23/792910323.db2.gz DRDPHCGQSYQRFH-UHFFFAOYSA-N 1 3 322.280 2.132 20 0 DEADHO CCC/C=C/CC[NH2+]C1CC(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001100918122 792918162 /nfs/dbraw/zinc/91/81/62/792918162.db2.gz FGMUGHAAWYMLCK-AATRIKPKSA-N 1 3 318.465 2.491 20 0 DEADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]Cc2ccc(F)cc2)C1 ZINC001101035940 792977775 /nfs/dbraw/zinc/97/77/75/792977775.db2.gz FRGUAFJTRCWQQF-UHFFFAOYSA-N 1 3 321.440 2.150 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1ccccn1)N(C)C ZINC001171498470 793104428 /nfs/dbraw/zinc/10/44/28/793104428.db2.gz CWHVQOOLIYNDQB-NVXWUHKLSA-N 1 3 320.481 2.186 20 0 DEADHO Cc1cccc2c1CC[C@@H]([NH2+]CCN1CCN(C(C)C)CC1)C2 ZINC001171554204 793132445 /nfs/dbraw/zinc/13/24/45/793132445.db2.gz XYPHWAKRDPVOMP-LJQANCHMSA-N 1 3 315.505 2.468 20 0 DEADHO CN1C(C)(C)CC([N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)CC1(C)C ZINC001171639405 793172414 /nfs/dbraw/zinc/17/24/14/793172414.db2.gz IWQKIIXEYVFGNB-QGZVFWFLSA-N 1 3 309.454 2.212 20 0 DEADHO CN1C(C)(C)CC([N@H+]2CCC[C@@]3(CNC(=O)O3)C2)CC1(C)C ZINC001171639405 793172419 /nfs/dbraw/zinc/17/24/19/793172419.db2.gz IWQKIIXEYVFGNB-QGZVFWFLSA-N 1 3 309.454 2.212 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2CCN(C3CC3)C(=O)C2)C1 ZINC001172000753 793273790 /nfs/dbraw/zinc/27/37/90/793273790.db2.gz SQKWQVJVPJDHOA-OWCLPIDISA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CCN(C3CC3)C(=O)C2)C1 ZINC001172000753 793273795 /nfs/dbraw/zinc/27/37/95/793273795.db2.gz SQKWQVJVPJDHOA-OWCLPIDISA-N 1 3 307.482 2.097 20 0 DEADHO O=C1C[C@H]([N@@H+]2CCCC[C@@H]2CCN2CCCC2)CCN1C1CC1 ZINC001172023859 793294855 /nfs/dbraw/zinc/29/48/55/793294855.db2.gz YKLTZFYLTFLBJG-SJLPKXTDSA-N 1 3 319.493 2.480 20 0 DEADHO O=C1C[C@H]([N@H+]2CCCC[C@@H]2CCN2CCCC2)CCN1C1CC1 ZINC001172023859 793294863 /nfs/dbraw/zinc/29/48/63/793294863.db2.gz YKLTZFYLTFLBJG-SJLPKXTDSA-N 1 3 319.493 2.480 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@@H](O)COc1ccccc1)C2 ZINC001172101878 793313928 /nfs/dbraw/zinc/31/39/28/793313928.db2.gz IBJFSOYXOLAEMK-WCXIOVBPSA-N 1 3 304.434 2.031 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@@H](O)COc1ccccc1)C2 ZINC001172101878 793313937 /nfs/dbraw/zinc/31/39/37/793313937.db2.gz IBJFSOYXOLAEMK-WCXIOVBPSA-N 1 3 304.434 2.031 20 0 DEADHO Cc1ccnc(O[C@H]2CCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)n1 ZINC001172132666 793321711 /nfs/dbraw/zinc/32/17/11/793321711.db2.gz MMSXVAXRAHXEHS-HZMVEIRTSA-N 1 3 316.449 2.253 20 0 DEADHO Cc1ccnc(O[C@H]2CCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)n1 ZINC001172132666 793321721 /nfs/dbraw/zinc/32/17/21/793321721.db2.gz MMSXVAXRAHXEHS-HZMVEIRTSA-N 1 3 316.449 2.253 20 0 DEADHO COc1cccc(C2([NH3+])CCN(C3C[C@@H]4C=C[C@H](C3)O4)CC2)c1 ZINC001172235132 793373053 /nfs/dbraw/zinc/37/30/53/793373053.db2.gz COOHRKZPUDOFKX-ZNXRZULTSA-N 1 3 314.429 2.431 20 0 DEADHO CC(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(N(C)C)CCC1)C2 ZINC001094936295 793468937 /nfs/dbraw/zinc/46/89/37/793468937.db2.gz VYNDKUTWWPZRRN-XHSDSOJGSA-N 1 3 307.482 2.096 20 0 DEADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](CC[C@@H](C)F)C[C@H]1C ZINC001102104483 793506147 /nfs/dbraw/zinc/50/61/47/793506147.db2.gz YJCDOUZHMFGIMC-RBSFLKMASA-N 1 3 315.477 2.149 20 0 DEADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](CC[C@@H](C)F)C[C@H]1C ZINC001102104483 793506153 /nfs/dbraw/zinc/50/61/53/793506153.db2.gz YJCDOUZHMFGIMC-RBSFLKMASA-N 1 3 315.477 2.149 20 0 DEADHO CCCN1C[C@@H]2C[NH+]([C@@H]3CCC[C@@H](C(=O)OC)CC3)C[C@H]2C1 ZINC001172804978 793512455 /nfs/dbraw/zinc/51/24/55/793512455.db2.gz YBPOVLOUGVTAOI-QBPKDAKJSA-N 1 3 308.466 2.382 20 0 DEADHO CC[NH+](CC)C1CCC(N2CCN(c3cnccn3)CC2)CC1 ZINC001173108452 793580375 /nfs/dbraw/zinc/58/03/75/793580375.db2.gz KYMOZQZPAVBEOM-UHFFFAOYSA-N 1 3 317.481 2.252 20 0 DEADHO CC[NH+](CC)C1CCC(N2CCN(c3cccnn3)CC2)CC1 ZINC001173114472 793581956 /nfs/dbraw/zinc/58/19/56/793581956.db2.gz LXAVHFDMUKMEDY-UHFFFAOYSA-N 1 3 317.481 2.252 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370296 793589599 /nfs/dbraw/zinc/58/95/99/793589599.db2.gz WIOVXDADKUNJKY-FZGCCYDFSA-N 1 3 321.509 2.369 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370296 793589607 /nfs/dbraw/zinc/58/96/07/793589607.db2.gz WIOVXDADKUNJKY-FZGCCYDFSA-N 1 3 321.509 2.369 20 0 DEADHO COc1cccc2c1C[C@H](NC1CC[NH+](C3CC3)CC1)CO2 ZINC001173157644 793611419 /nfs/dbraw/zinc/61/14/19/793611419.db2.gz VRXMGTLHGDOUNJ-AWEZNQCLSA-N 1 3 302.418 2.215 20 0 DEADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173742677 793830372 /nfs/dbraw/zinc/83/03/72/793830372.db2.gz OOCNLDCPKYHZCS-OWCLPIDISA-N 1 3 306.458 2.011 20 0 DEADHO CC[C@H](C(=O)NCC[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C)N(C)C ZINC001103139914 793954043 /nfs/dbraw/zinc/95/40/43/793954043.db2.gz DUXUWVNQLFEIAS-DJIMGWMZSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C)N(C)C ZINC001103139914 793954046 /nfs/dbraw/zinc/95/40/46/793954046.db2.gz DUXUWVNQLFEIAS-DJIMGWMZSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[C@@H]2C[N@H+](CC3CCC3)C[C@H]2C)C1 ZINC001103436294 794092782 /nfs/dbraw/zinc/09/27/82/794092782.db2.gz SCGYSNFVPMBPMF-JFIYKMOQSA-N 1 3 321.509 2.203 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[C@@H]2C[N@@H+](CC3CCC3)C[C@H]2C)C1 ZINC001103436294 794092792 /nfs/dbraw/zinc/09/27/92/794092792.db2.gz SCGYSNFVPMBPMF-JFIYKMOQSA-N 1 3 321.509 2.203 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccn1)N(C)C ZINC001175314943 794179788 /nfs/dbraw/zinc/17/97/88/794179788.db2.gz CWHVQOOLIYNDQB-RDJZCZTQSA-N 1 3 320.481 2.186 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1ocnc1C)N(C)C ZINC001175315787 794181437 /nfs/dbraw/zinc/18/14/37/794181437.db2.gz HGPVUCHEESUZFC-ZFWWWQNUSA-N 1 3 324.469 2.088 20 0 DEADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1C ZINC001103665402 794181852 /nfs/dbraw/zinc/18/18/52/794181852.db2.gz BCPDAPRMFVAMAF-IPKOWEFYSA-N 1 3 315.889 2.155 20 0 DEADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1C ZINC001103665402 794181853 /nfs/dbraw/zinc/18/18/53/794181853.db2.gz BCPDAPRMFVAMAF-IPKOWEFYSA-N 1 3 315.889 2.155 20 0 DEADHO CC[C@@H](F)C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C(C)C ZINC001176753328 794497324 /nfs/dbraw/zinc/49/73/24/794497324.db2.gz GCIRFPSLCBWYLH-HUUCEWRRSA-N 1 3 303.466 2.339 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)CN(C)C(C)C)c1 ZINC001176986097 794547222 /nfs/dbraw/zinc/54/72/22/794547222.db2.gz DRGXISDLZPUDQK-MRXNPFEDSA-N 1 3 305.466 2.492 20 0 DEADHO CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCN1CCC)C2 ZINC001112382383 794617113 /nfs/dbraw/zinc/61/71/13/794617113.db2.gz VMVGVJPIEPKFQF-SCTDSRPQSA-N 1 3 321.509 2.489 20 0 DEADHO CN1CCC[C@@H]1C(=O)NCCCCCC[NH2+]Cc1ccns1 ZINC001178045685 794804647 /nfs/dbraw/zinc/80/46/47/794804647.db2.gz RWVHNNFNOIXERB-OAHLLOKOSA-N 1 3 324.494 2.004 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]CCF)CCCCC1 ZINC001115535540 794812107 /nfs/dbraw/zinc/81/21/07/794812107.db2.gz ZRNRITOGXRDBDA-HNNXBMFYSA-N 1 3 313.461 2.237 20 0 DEADHO C[C@H](F)CC[NH2+]CCCCCCNC(=O)[C@H](C1CC1)N(C)C ZINC001178698238 794980227 /nfs/dbraw/zinc/98/02/27/794980227.db2.gz CIXHJTOSCMHGIY-HOCLYGCPSA-N 1 3 315.477 2.341 20 0 DEADHO CC[C@H](F)C[NH2+]CCCCCCNC(=O)CN1CC[C@H](C)C1 ZINC001179586839 795138780 /nfs/dbraw/zinc/13/87/80/795138780.db2.gz UDHDXUUWHCAGFP-HOTGVXAUSA-N 1 3 315.477 2.343 20 0 DEADHO CCCCCCN(C)CC(=O)N1CC[C@H]([NH2+]CCF)[C@@H]1C ZINC001179748529 795171933 /nfs/dbraw/zinc/17/19/33/795171933.db2.gz AZNULMASQDOXAG-GJZGRUSLSA-N 1 3 301.450 2.047 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2F)[C@@H]1C ZINC001179982898 795213892 /nfs/dbraw/zinc/21/38/92/795213892.db2.gz GLYNWUQCFAXDHQ-YOEHRIQHSA-N 1 3 321.440 2.247 20 0 DEADHO CCCN(C)CC(=O)NCCCCCC[NH2+]Cc1ocnc1C ZINC001180123525 795244840 /nfs/dbraw/zinc/24/48/40/795244840.db2.gz GHYKLLAXCGFXHC-UHFFFAOYSA-N 1 3 324.469 2.091 20 0 DEADHO CN(C)[C@H]1CCC[N@H+](C[C@@H](O)CCOCc2ccccc2)CC1 ZINC001119852439 795363493 /nfs/dbraw/zinc/36/34/93/795363493.db2.gz UNNAGDOQSPNPLX-OALUTQOASA-N 1 3 320.477 2.370 20 0 DEADHO CN(C)[C@H]1CCC[N@@H+](C[C@@H](O)CCOCc2ccccc2)CC1 ZINC001119852439 795363501 /nfs/dbraw/zinc/36/35/01/795363501.db2.gz UNNAGDOQSPNPLX-OALUTQOASA-N 1 3 320.477 2.370 20 0 DEADHO CN(CCN(C)C(=O)C12CC[NH+](CC1)CC2)Cc1ccccc1 ZINC001181547543 795492528 /nfs/dbraw/zinc/49/25/28/795492528.db2.gz SYKUSYWMVSSVLT-UHFFFAOYSA-N 1 3 315.461 2.063 20 0 DEADHO CN(CCN(C)C(=O)C1(C)CC[NH+](C)CC1)Cc1ccccc1 ZINC001181984230 795574221 /nfs/dbraw/zinc/57/42/21/795574221.db2.gz FDYFHEDBKRMNKK-UHFFFAOYSA-N 1 3 317.477 2.309 20 0 DEADHO CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)Cc3nc[nH]c3C)C2)C1 ZINC001122118503 795728331 /nfs/dbraw/zinc/72/83/31/795728331.db2.gz NPRWIPZZKHIZQA-VOZVFBJVSA-N 1 3 318.465 2.324 20 0 DEADHO CC(C)C[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001184576211 796086200 /nfs/dbraw/zinc/08/62/00/796086200.db2.gz HEZOHGNOWQUYOO-HZPDHXFCSA-N 1 3 309.498 2.201 20 0 DEADHO CCCC[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001184576644 796086498 /nfs/dbraw/zinc/08/64/98/796086498.db2.gz JGIQIJRJFOSECT-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C ZINC001185171307 796201962 /nfs/dbraw/zinc/20/19/62/796201962.db2.gz VYTSSVURDBODLM-IRXDYDNUSA-N 1 3 323.525 2.449 20 0 DEADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C[NH2+]CCCCCF ZINC001185216182 796215237 /nfs/dbraw/zinc/21/52/37/796215237.db2.gz PTBCXNMLPMQHQD-HUUCEWRRSA-N 1 3 324.444 2.166 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C/C=C\c2ccccc2)C1)N(C)C ZINC001185706875 796310983 /nfs/dbraw/zinc/31/09/83/796310983.db2.gz SPMKAPXCIRPKGY-OAAMNHTFSA-N 1 3 315.461 2.231 20 0 DEADHO CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001185753254 796316376 /nfs/dbraw/zinc/31/63/76/796316376.db2.gz WANZYOZHOUGKKC-IRXDYDNUSA-N 1 3 309.498 2.367 20 0 DEADHO CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H](NC/C=C/Cl)C1)C(C)C ZINC001186420691 796404623 /nfs/dbraw/zinc/40/46/23/796404623.db2.gz QZNFWMQYOOEXOM-VIGJRRFGSA-N 1 3 315.889 2.296 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2cc(C)ccc2F)C1 ZINC001186833183 796445405 /nfs/dbraw/zinc/44/54/05/796445405.db2.gz AQSYHECNZIEVQX-MRXNPFEDSA-N 1 3 321.440 2.166 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2cc(C)ccc2F)C1 ZINC001186833183 796445407 /nfs/dbraw/zinc/44/54/07/796445407.db2.gz AQSYHECNZIEVQX-MRXNPFEDSA-N 1 3 321.440 2.166 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC2)C12CCC2 ZINC001203650062 796459625 /nfs/dbraw/zinc/45/96/25/796459625.db2.gz FNAXMYWIUPMFPA-HOTGVXAUSA-N 1 3 307.482 2.145 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCc2ccc(C)cc2)C1 ZINC001187321901 796517970 /nfs/dbraw/zinc/51/79/70/796517970.db2.gz HNSZVWSWWAHAMH-GOSISDBHSA-N 1 3 317.477 2.070 20 0 DEADHO CC[C@@H](C)C[NH2+]C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001203041658 796528232 /nfs/dbraw/zinc/52/82/32/796528232.db2.gz IVLIFVSYCVSNFF-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]CCCF)C12CCC2 ZINC001203101694 796649170 /nfs/dbraw/zinc/64/91/70/796649170.db2.gz FVNWRPCHDUJNSA-KBPBESRZSA-N 1 3 313.461 2.093 20 0 DEADHO CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001190653819 797048894 /nfs/dbraw/zinc/04/88/94/797048894.db2.gz GSMGHDCEJSMJOW-KGVXHEBISA-N 1 3 307.482 2.216 20 0 DEADHO CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001190653819 797048902 /nfs/dbraw/zinc/04/89/02/797048902.db2.gz GSMGHDCEJSMJOW-KGVXHEBISA-N 1 3 307.482 2.216 20 0 DEADHO CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190675055 797055291 /nfs/dbraw/zinc/05/52/91/797055291.db2.gz GUMWGBFSFWRBJW-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190675055 797055298 /nfs/dbraw/zinc/05/52/98/797055298.db2.gz GUMWGBFSFWRBJW-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C)C[N@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001192377351 797376391 /nfs/dbraw/zinc/37/63/91/797376391.db2.gz KIYFMMRFRFTMRM-HOTGVXAUSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001192377351 797376399 /nfs/dbraw/zinc/37/63/99/797376399.db2.gz KIYFMMRFRFTMRM-HOTGVXAUSA-N 1 3 309.498 2.297 20 0 DEADHO CC[N@H+](CCCCCF)[C@H](C)CNC(=O)[C@@H](C1CC1)N(C)C ZINC001153823968 797404961 /nfs/dbraw/zinc/40/49/61/797404961.db2.gz GGKNXJDMDGOXGY-GDBMZVCRSA-N 1 3 315.477 2.293 20 0 DEADHO CC[N@@H+](CCCCCF)[C@H](C)CNC(=O)[C@@H](C1CC1)N(C)C ZINC001153823968 797404965 /nfs/dbraw/zinc/40/49/65/797404965.db2.gz GGKNXJDMDGOXGY-GDBMZVCRSA-N 1 3 315.477 2.293 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCC(C)C)C1 ZINC001194266678 797702456 /nfs/dbraw/zinc/70/24/56/797702456.db2.gz XZNZGJJFGJOTMR-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCC(C)C)C1 ZINC001194266678 797702461 /nfs/dbraw/zinc/70/24/61/797702461.db2.gz XZNZGJJFGJOTMR-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[N@H+](CCF)[C@H](C)CNC(=O)[C@](C)(c1ccccc1)N(C)C ZINC001156341257 797979320 /nfs/dbraw/zinc/97/93/20/797979320.db2.gz CMMUIDLWCIZLKZ-QAPCUYQASA-N 1 3 323.456 2.260 20 0 DEADHO CC[N@@H+](CCF)[C@H](C)CNC(=O)[C@](C)(c1ccccc1)N(C)C ZINC001156341257 797979325 /nfs/dbraw/zinc/97/93/25/797979325.db2.gz CMMUIDLWCIZLKZ-QAPCUYQASA-N 1 3 323.456 2.260 20 0 DEADHO CC1([NH3+])CN(C(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)C1 ZINC001157643645 798248553 /nfs/dbraw/zinc/24/85/53/798248553.db2.gz FTPIIYOIBBTMRD-CQSZACIVSA-N 1 3 321.852 2.112 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC(F)(F)C[C@]1(C)CF ZINC001157952001 798312152 /nfs/dbraw/zinc/31/21/52/798312152.db2.gz KIRUOPUIUPEWTI-GXTWGEPZSA-N 1 3 323.403 2.078 20 0 DEADHO CC(C)(C(=O)NCCC[NH2+]C/C=C\Cl)N1CCCCC1 ZINC001158079736 798338385 /nfs/dbraw/zinc/33/83/85/798338385.db2.gz OGOPVMSVVVHPRA-VURMDHGXSA-N 1 3 301.862 2.099 20 0 DEADHO CN(Cc1ccc(-n2ncc3c2cccc3C[NH3+])nc1)C1CC1 ZINC001158312988 798383066 /nfs/dbraw/zinc/38/30/66/798383066.db2.gz PWXSSQXHTGUHEE-UHFFFAOYSA-N 1 3 307.401 2.473 20 0 DEADHO CCC[NH2+][C@H](CNC(=O)CN(C)C(C)C)c1ccccc1OC ZINC001198993113 798427111 /nfs/dbraw/zinc/42/71/11/798427111.db2.gz LNQUTIFMYYHGFB-MRXNPFEDSA-N 1 3 321.465 2.192 20 0 DEADHO Cc1cc(C[NH2+]CCCNC(=O)C2(N(C)C)CCC2)c(C)s1 ZINC001159861863 798619507 /nfs/dbraw/zinc/61/95/07/798619507.db2.gz SSLBKSMRGZONLH-UHFFFAOYSA-N 1 3 323.506 2.445 20 0 DEADHO Cc1cccc(C)c1C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159997137 798638062 /nfs/dbraw/zinc/63/80/62/798638062.db2.gz HMUZQZJKXLBNJU-UHFFFAOYSA-N 1 3 317.477 2.384 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1ccccc1F)N(C)C ZINC001160421403 798686877 /nfs/dbraw/zinc/68/68/77/798686877.db2.gz QGUJVAWIOYHTKB-INIZCTEOSA-N 1 3 309.429 2.008 20 0 DEADHO CC(C)=CCC[C@H](C)C[N@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001201497722 798760599 /nfs/dbraw/zinc/76/05/99/798760599.db2.gz XIIKHOFMONYLKN-KRWDZBQOSA-N 1 3 309.498 2.465 20 0 DEADHO CC(C)=CCC[C@H](C)C[N@@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001201497722 798760601 /nfs/dbraw/zinc/76/06/01/798760601.db2.gz XIIKHOFMONYLKN-KRWDZBQOSA-N 1 3 309.498 2.465 20 0 DEADHO CN(CC/C=C/c1cccnc1)C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001160928903 798764520 /nfs/dbraw/zinc/76/45/20/798764520.db2.gz KVJJXNORSRTBJB-QVNOTHCHSA-N 1 3 318.465 2.003 20 0 DEADHO CCC(CC)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001201528517 798770822 /nfs/dbraw/zinc/77/08/22/798770822.db2.gz SMZSSKTUOMHCPH-IKGGRYGDSA-N 1 3 305.470 2.109 20 0 DEADHO CCC(CC)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001201528517 798770828 /nfs/dbraw/zinc/77/08/28/798770828.db2.gz SMZSSKTUOMHCPH-IKGGRYGDSA-N 1 3 305.470 2.109 20 0 DEADHO [NH3+][C@@H]1CN(C(=O)[C@H]2CCC[C@@H](c3ccccc3)N2)CC(F)(F)C1 ZINC001160974032 798772886 /nfs/dbraw/zinc/77/28/86/798772886.db2.gz XDVGZLNPCCRCQZ-SOUVJXGZSA-N 1 3 323.387 2.065 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCCC1=CC[N@H+](CCC2CC2)CC1 ZINC001161205068 798809658 /nfs/dbraw/zinc/80/96/58/798809658.db2.gz BWESMZZGLFSHIE-INIZCTEOSA-N 1 3 319.493 2.409 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCCC1=CC[N@@H+](CCC2CC2)CC1 ZINC001161205068 798809663 /nfs/dbraw/zinc/80/96/63/798809663.db2.gz BWESMZZGLFSHIE-INIZCTEOSA-N 1 3 319.493 2.409 20 0 DEADHO CN(C(=O)[C@@H](N)CCCC[NH+](C)C)[C@H]1CCc2ccccc21 ZINC001161543344 798880521 /nfs/dbraw/zinc/88/05/21/798880521.db2.gz PCIGFUIKULZXTA-IRXDYDNUSA-N 1 3 303.450 2.192 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]CCC(F)(F)F)CC1 ZINC001202496080 798985580 /nfs/dbraw/zinc/98/55/80/798985580.db2.gz NUMOWOIOPVNYRO-LBPRGKRZSA-N 1 3 321.387 2.004 20 0 DEADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21)C1CCC1 ZINC001114414309 799094780 /nfs/dbraw/zinc/09/47/80/799094780.db2.gz QBCDPYRUDHCMIL-VQFNDLOPSA-N 1 3 321.509 2.343 20 0 DEADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21)C1CCC1 ZINC001114414309 799094788 /nfs/dbraw/zinc/09/47/88/799094788.db2.gz QBCDPYRUDHCMIL-VQFNDLOPSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC3CCC3)C[C@H]21)N(C)C ZINC001114443298 799113812 /nfs/dbraw/zinc/11/38/12/799113812.db2.gz ZCCXQZWWAWMAAL-MLHJIOFPSA-N 1 3 321.509 2.199 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]21)N(C)C ZINC001114443298 799113816 /nfs/dbraw/zinc/11/38/16/799113816.db2.gz ZCCXQZWWAWMAAL-MLHJIOFPSA-N 1 3 321.509 2.199 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](C)CC(C)C)C[C@H]21 ZINC001114488229 799147116 /nfs/dbraw/zinc/14/71/16/799147116.db2.gz JCLSCTDZRBUCQD-MWDXBVQZSA-N 1 3 323.525 2.445 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)CC(C)C)C[C@H]21 ZINC001114488229 799147121 /nfs/dbraw/zinc/14/71/21/799147121.db2.gz JCLSCTDZRBUCQD-MWDXBVQZSA-N 1 3 323.525 2.445 20 0 DEADHO CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](CC)N(C)C ZINC001162841564 799186306 /nfs/dbraw/zinc/18/63/06/799186306.db2.gz YSKRZBNBCPPCRS-QGZVFWFLSA-N 1 3 305.466 2.007 20 0 DEADHO CC[NH2+]CCN(CCc1ccccc1)C(=O)CN1CC[C@@H](C)C1 ZINC001162928364 799203768 /nfs/dbraw/zinc/20/37/68/799203768.db2.gz HRIKQDOVUASNFI-QGZVFWFLSA-N 1 3 317.477 2.009 20 0 DEADHO CN(C)Cc1ccc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)nc1 ZINC001163055946 799232830 /nfs/dbraw/zinc/23/28/30/799232830.db2.gz JYRBLXGJMSCNHY-MRXNPFEDSA-N 1 3 313.449 2.166 20 0 DEADHO CCN(CC)CCNC(=[NH2+])Nc1ncnc2cccc(C)c21 ZINC001163125446 799252428 /nfs/dbraw/zinc/25/24/28/799252428.db2.gz BWKHXMITHSXCTL-UHFFFAOYSA-N 1 3 300.410 2.216 20 0 DEADHO COCCOc1ccc(NCC2(N(C)C)CC[NH+](C)CC2)cc1 ZINC001164210478 799539352 /nfs/dbraw/zinc/53/93/52/799539352.db2.gz DQTUKPACGYMOJH-UHFFFAOYSA-N 1 3 321.465 2.150 20 0 DEADHO CC(C)CC[NH2+]CC1(CCNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001165628242 799753153 /nfs/dbraw/zinc/75/31/53/799753153.db2.gz SHZKAZHGPMNQGM-INIZCTEOSA-N 1 3 311.514 2.495 20 0 DEADHO C[NH+](C)CCC(=O)NCCCNCc1cccc(F)c1Cl ZINC001165781792 799773957 /nfs/dbraw/zinc/77/39/57/799773957.db2.gz ZOMXSYIOWIPYAH-UHFFFAOYSA-N 1 3 315.820 2.027 20 0 DEADHO Cc1cccc(C[NH2+]CCCNC(=O)CN2CCC[C@@H]2C)c1 ZINC001166626810 799904437 /nfs/dbraw/zinc/90/44/37/799904437.db2.gz JWAMMBGPJVONGP-INIZCTEOSA-N 1 3 303.450 2.075 20 0 DEADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]Cc1ccccc1Cl ZINC001166627056 799904869 /nfs/dbraw/zinc/90/48/69/799904869.db2.gz OVZUBSYORRUBRF-AWEZNQCLSA-N 1 3 323.868 2.420 20 0 DEADHO Cc1ccc(F)c(C[NH2+]CCCNC(=O)CN2CCC[C@@H]2C)c1 ZINC001166627387 799905278 /nfs/dbraw/zinc/90/52/78/799905278.db2.gz URDCCLRGAYKHLQ-HNNXBMFYSA-N 1 3 321.440 2.214 20 0 DEADHO C[C@@H]([NH2+]CCCNC(=O)CN1CCC[C@H]1C)c1cccc(F)c1 ZINC001166645832 799909465 /nfs/dbraw/zinc/90/94/65/799909465.db2.gz VPIBDXDCUWAKAO-HUUCEWRRSA-N 1 3 321.440 2.467 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]Cc2cccc(Cl)c2)C1 ZINC001166667611 799915436 /nfs/dbraw/zinc/91/54/36/799915436.db2.gz DWUCAEKTWHXYEK-CQSZACIVSA-N 1 3 323.868 2.278 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC2)C12CCC2 ZINC001203650061 800098969 /nfs/dbraw/zinc/09/89/69/800098969.db2.gz FNAXMYWIUPMFPA-CVEARBPZSA-N 1 3 307.482 2.145 20 0 DEADHO CCCCC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203661450 800102417 /nfs/dbraw/zinc/10/24/17/800102417.db2.gz VHZRJWASLJWUFD-HZPDHXFCSA-N 1 3 318.465 2.468 20 0 DEADHO C[NH+]1CCC(CN2CCN(Cc3cc(F)cc(F)c3)CC2)CC1 ZINC001204232043 800191845 /nfs/dbraw/zinc/19/18/45/800191845.db2.gz CTSGHXYYMPKDII-UHFFFAOYSA-N 1 3 323.431 2.424 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CCC(C)(C)C)CC1 ZINC001204793262 800257841 /nfs/dbraw/zinc/25/78/41/800257841.db2.gz DFFLNSGTOYKIIB-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001204793870 800258279 /nfs/dbraw/zinc/25/82/79/800258279.db2.gz PSWSLFPOXJVNHN-CHYADLBTSA-N 1 3 307.482 2.265 20 0 DEADHO CCOC(=O)COc1cccc(CN2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205288520 800336929 /nfs/dbraw/zinc/33/69/29/800336929.db2.gz KXRFKXBZRJWXPM-GOSISDBHSA-N 1 3 320.433 2.332 20 0 DEADHO CCCCC[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001205461545 800360310 /nfs/dbraw/zinc/36/03/10/800360310.db2.gz MSJIDQIKAUCCHC-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](F)C[NH2+]CC1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001205562636 800377936 /nfs/dbraw/zinc/37/79/36/800377936.db2.gz ZKBKDGHOWYVPBB-HNNXBMFYSA-N 1 3 315.477 2.293 20 0 DEADHO COC(=O)c1cc(F)cc(CN2CCC[C@@](F)(C[NH3+])CC2)c1 ZINC001205580263 800379941 /nfs/dbraw/zinc/37/99/41/800379941.db2.gz RVQNYISZWGKJFJ-INIZCTEOSA-N 1 3 312.360 2.265 20 0 DEADHO CSCC(C)(C)[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000934667567 800418654 /nfs/dbraw/zinc/41/86/54/800418654.db2.gz OESIEGNQLVGBQS-HNNXBMFYSA-N 1 3 323.506 2.137 20 0 DEADHO COC(=O)c1cccc2[nH]cc(C[N@@H+]3CC[C@H](N)[C@@H](F)CC3)c21 ZINC001206173425 800483365 /nfs/dbraw/zinc/48/33/65/800483365.db2.gz HIGSHTMFZVEIDV-KBPBESRZSA-N 1 3 319.380 2.216 20 0 DEADHO COC(=O)c1cccc2[nH]cc(C[N@H+]3CC[C@H](N)[C@@H](F)CC3)c21 ZINC001206173425 800483370 /nfs/dbraw/zinc/48/33/70/800483370.db2.gz HIGSHTMFZVEIDV-KBPBESRZSA-N 1 3 319.380 2.216 20 0 DEADHO [NH3+][C@H]1CCN(Cc2ccc(-c3ncccn3)cc2)CC[C@H]1F ZINC001206173163 800484025 /nfs/dbraw/zinc/48/40/25/800484025.db2.gz FMVHLQCJHBSJRK-CVEARBPZSA-N 1 3 300.381 2.405 20 0 DEADHO COC(=O)Cc1ccccc1CN1CCCC[C@](C)(C[NH3+])C1 ZINC001206556466 800554740 /nfs/dbraw/zinc/55/47/40/800554740.db2.gz SIQLCTLRSXKDIG-GOSISDBHSA-N 1 3 304.434 2.353 20 0 DEADHO O=C(CN1CCCC1)N1CCC(C[NH2+]CCCC2CCC2)CC1 ZINC001206928822 800631354 /nfs/dbraw/zinc/63/13/54/800631354.db2.gz JVIRBMZPKPOQQE-UHFFFAOYSA-N 1 3 321.509 2.491 20 0 DEADHO C[NH+](C)CC(C)(C)CN1CCC2(CCN(CC3CC3)C2=O)CC1 ZINC001207284568 800724079 /nfs/dbraw/zinc/72/40/79/800724079.db2.gz POTBYLLAXFSOPT-UHFFFAOYSA-N 1 3 321.509 2.299 20 0 DEADHO CC1=C[C@H](C)[C@H](C[N@H+]2CCC(=O)N(CCN(C)C)CC2)CC1 ZINC001208182830 800925539 /nfs/dbraw/zinc/92/55/39/800925539.db2.gz VMIGBBLKOBEENX-IRXDYDNUSA-N 1 3 307.482 2.075 20 0 DEADHO CC1=C[C@H](C)[C@H](C[N@@H+]2CCC(=O)N(CCN(C)C)CC2)CC1 ZINC001208182830 800925543 /nfs/dbraw/zinc/92/55/43/800925543.db2.gz VMIGBBLKOBEENX-IRXDYDNUSA-N 1 3 307.482 2.075 20 0 DEADHO CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001208341166 800959820 /nfs/dbraw/zinc/95/98/20/800959820.db2.gz VOCIBOIIAOJVTG-DWTRPJMMSA-N 1 3 307.482 2.408 20 0 DEADHO CC[NH+]1CCC(CN2CCN(c3ncccc3C)CC2)CC1 ZINC001208592803 801021865 /nfs/dbraw/zinc/02/18/65/801021865.db2.gz CKEISKQYYPBRGZ-UHFFFAOYSA-N 1 3 302.466 2.244 20 0 DEADHO CCOC(=O)[C@H]1CCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208948198 801100013 /nfs/dbraw/zinc/10/00/13/801100013.db2.gz FMSWUTHVASARQE-ROUUACIJSA-N 1 3 316.445 2.394 20 0 DEADHO CCOC(=O)[C@H]1CCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208948198 801100017 /nfs/dbraw/zinc/10/00/17/801100017.db2.gz FMSWUTHVASARQE-ROUUACIJSA-N 1 3 316.445 2.394 20 0 DEADHO c1cnc(N2CC[C@]23CC[N@@H+](CCCN2CCCCC2)C3)nc1 ZINC001209450943 801194254 /nfs/dbraw/zinc/19/42/54/801194254.db2.gz DXKRTAVAAOKZRI-SFHVURJKSA-N 1 3 315.465 2.007 20 0 DEADHO c1cnc(N2CC[C@]23CC[N@H+](CCCN2CCCCC2)C3)nc1 ZINC001209450943 801194259 /nfs/dbraw/zinc/19/42/59/801194259.db2.gz DXKRTAVAAOKZRI-SFHVURJKSA-N 1 3 315.465 2.007 20 0 DEADHO CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001209642175 801243759 /nfs/dbraw/zinc/24/37/59/801243759.db2.gz MZUYJVAAKMCNBU-NVXWUHKLSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)NC1CC[NH+](CC2=CCCCC2)CC1)N(C)C ZINC001229223231 801244041 /nfs/dbraw/zinc/24/40/41/801244041.db2.gz LVEDPAPCMJQVPX-KRWDZBQOSA-N 1 3 307.482 2.408 20 0 DEADHO CC[C@@H](F)C[NH2+][C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001209689278 801255786 /nfs/dbraw/zinc/25/57/86/801255786.db2.gz JVLGAUZSIIOROV-HUUCEWRRSA-N 1 3 315.477 2.293 20 0 DEADHO CC[N@H+](C)CCC(=O)NC1CCN(Cc2csc(C)c2)CC1 ZINC001229909035 801336384 /nfs/dbraw/zinc/33/63/84/801336384.db2.gz SDJLIQMGIMFMDK-UHFFFAOYSA-N 1 3 323.506 2.479 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC1CCN(Cc2csc(C)c2)CC1 ZINC001229909035 801336391 /nfs/dbraw/zinc/33/63/91/801336391.db2.gz SDJLIQMGIMFMDK-UHFFFAOYSA-N 1 3 323.506 2.479 20 0 DEADHO CCCN(C)CC(=O)NC1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001230112993 801362664 /nfs/dbraw/zinc/36/26/64/801362664.db2.gz KYKWNYQSDKAIJW-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](NCc2ccccc2F)C1 ZINC001210482085 801409733 /nfs/dbraw/zinc/40/97/33/801409733.db2.gz KPWGJTFOAAJMFQ-INIZCTEOSA-N 1 3 321.440 2.248 20 0 DEADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](NCc2ccccc2F)C1 ZINC001210482085 801409739 /nfs/dbraw/zinc/40/97/39/801409739.db2.gz KPWGJTFOAAJMFQ-INIZCTEOSA-N 1 3 321.440 2.248 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001210790153 801465436 /nfs/dbraw/zinc/46/54/36/801465436.db2.gz VIBYQBUWSITNIX-KRWDZBQOSA-N 1 3 307.482 2.409 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccsc2)C1 ZINC001210810631 801468599 /nfs/dbraw/zinc/46/85/99/801468599.db2.gz BLMKPAIUASUYGI-HNNXBMFYSA-N 1 3 309.479 2.171 20 0 DEADHO CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)C1 ZINC001211377296 801558939 /nfs/dbraw/zinc/55/89/39/801558939.db2.gz WHHPCLBRJLNGOJ-ZACQAIPSSA-N 1 3 309.498 2.343 20 0 DEADHO CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)C1 ZINC001211377296 801558945 /nfs/dbraw/zinc/55/89/45/801558945.db2.gz WHHPCLBRJLNGOJ-ZACQAIPSSA-N 1 3 309.498 2.343 20 0 DEADHO CCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)C[C@H]1C ZINC001214611313 801739055 /nfs/dbraw/zinc/73/90/55/801739055.db2.gz ZIRYVPCOFZUZET-BRWVUGGUSA-N 1 3 309.498 2.486 20 0 DEADHO CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001214904874 801774645 /nfs/dbraw/zinc/77/46/45/801774645.db2.gz NSQBNYYUOGZUQA-OIISXLGYSA-N 1 3 311.514 2.445 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001215540998 801873869 /nfs/dbraw/zinc/87/38/69/801873869.db2.gz UNGNZPJMJBLVMB-JFIYKMOQSA-N 1 3 321.509 2.345 20 0 DEADHO CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001215778354 801903872 /nfs/dbraw/zinc/90/38/72/801903872.db2.gz HVKQVDWJXDXYSK-BRWVUGGUSA-N 1 3 309.498 2.486 20 0 DEADHO Cc1cccc(C[NH2+][C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)c1 ZINC001216852079 802034404 /nfs/dbraw/zinc/03/44/04/802034404.db2.gz NZVYKYLGZVLGNO-SJLPKXTDSA-N 1 3 317.477 2.272 20 0 DEADHO C[C@H]([NH3+])c1cccc(-c2nc(-c3ccc4c(n3)CCNC4)no2)c1 ZINC001217099059 802045081 /nfs/dbraw/zinc/04/50/81/802045081.db2.gz USICPRLOEHHWOJ-NSHDSACASA-N 1 3 321.384 2.464 20 0 DEADHO N[C@H](C(=O)Nc1cncc(-c2ccccc2)c1)C1CC[NH2+]CC1 ZINC001218671682 802226035 /nfs/dbraw/zinc/22/60/35/802226035.db2.gz UJFUJQQPCYAPIV-KRWDZBQOSA-N 1 3 310.401 2.014 20 0 DEADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cnc(C2CC2)s1 ZINC001218715221 802231698 /nfs/dbraw/zinc/23/16/98/802231698.db2.gz PQKKWCMDBPMDED-LBPRGKRZSA-N 1 3 310.467 2.455 20 0 DEADHO N[C@@H](CCC[NH3+])C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC001218859678 802250792 /nfs/dbraw/zinc/25/07/92/802250792.db2.gz FCXQUDULFBTNHH-ZDUSSCGKSA-N 1 3 319.405 2.123 20 0 DEADHO [NH3+]C1(c2ccc(NC(=O)c3cncc4c3CCNC4)cc2)CCC1 ZINC001218974135 802267390 /nfs/dbraw/zinc/26/73/90/802267390.db2.gz YRIMNCJYZMZAQM-UHFFFAOYSA-N 1 3 322.412 2.318 20 0 DEADHO [NH3+]C1(c2ccc(NC(=O)C[C@@H]3CCNC[C@@H]3F)cc2)CCC1 ZINC001218972442 802268382 /nfs/dbraw/zinc/26/83/82/802268382.db2.gz OMMDHNDBOCPMQM-WFASDCNBSA-N 1 3 305.397 2.301 20 0 DEADHO O=C(Nc1ccc2c(c1)CNCCO2)c1cccc2c1C[NH2+]CC2 ZINC001219031363 802275881 /nfs/dbraw/zinc/27/58/81/802275881.db2.gz JVKHIYWBFCVJKS-UHFFFAOYSA-N 1 3 323.396 2.067 20 0 DEADHO O=C(Nc1ccc(C2CC2)c2ccccc12)[C@H]1C[NH2+]CC12CNC2 ZINC001219094582 802280718 /nfs/dbraw/zinc/28/07/18/802280718.db2.gz OYDZMDKCEUECBQ-QGZVFWFLSA-N 1 3 321.424 2.465 20 0 DEADHO C[C@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)C12CC3CC(CC(C3)C1)C2 ZINC001219997081 802400540 /nfs/dbraw/zinc/40/05/40/802400540.db2.gz LLCVAFANKGJIGT-AZBXIESMSA-N 1 3 319.493 2.034 20 0 DEADHO N[C@@H](CCCC[NH3+])C(=O)N[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1 ZINC001220723448 802489443 /nfs/dbraw/zinc/48/94/43/802489443.db2.gz AEWZWENNNXYNMO-IGKNDFSCSA-N 1 3 315.461 2.141 20 0 DEADHO N[C@@H](CCCc1ccccc1)C(=O)NCc1ccccc1C[NH3+] ZINC001220854863 802504766 /nfs/dbraw/zinc/50/47/66/802504766.db2.gz BRUZISQRIOXYMP-SFHVURJKSA-N 1 3 311.429 2.112 20 0 DEADHO CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H](N)C12CC3CC(CC(C3)C1)C2 ZINC001220859500 802505463 /nfs/dbraw/zinc/50/54/63/802505463.db2.gz AGBDYXLAWQTZJF-VMJZLSGTSA-N 1 3 307.482 2.020 20 0 DEADHO Cc1ccccc1CC(C)(C)NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220958911 802515415 /nfs/dbraw/zinc/51/54/15/802515415.db2.gz VEOHCNBTHGHPQE-KRWDZBQOSA-N 1 3 319.493 2.492 20 0 DEADHO N[C@@H]1NC(CN2CCCC3(CCCC[NH2+]C3)CCC2)=CS1 ZINC001222109210 802644633 /nfs/dbraw/zinc/64/46/33/802644633.db2.gz BTNMEVVRKXTJBU-OAHLLOKOSA-N 1 3 310.511 2.042 20 0 DEADHO COCCCOc1ccc(CN2CCC(F)(C[NH3+])CC2)cc1 ZINC001222542682 802704385 /nfs/dbraw/zinc/70/43/85/802704385.db2.gz JROOMCTXNGHCAM-UHFFFAOYSA-N 1 3 310.413 2.365 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC(CNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001223464853 802791879 /nfs/dbraw/zinc/79/18/79/802791879.db2.gz CIWQCVBLRJSRSX-RHSMWYFYSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1CC[NH+](CCC2CC2)CC1 ZINC001225541346 802979642 /nfs/dbraw/zinc/97/96/42/802979642.db2.gz AKTCZCHRJVMBKC-IYBDPMFKSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1CC[NH+](CCCF)CC1 ZINC001225541328 802979808 /nfs/dbraw/zinc/97/98/08/802979808.db2.gz AAYPVNRWTVQLJV-GASCZTMLSA-N 1 3 313.461 2.047 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCF ZINC001227165109 803210717 /nfs/dbraw/zinc/21/07/17/803210717.db2.gz JJTPIMPPRYWRMP-ZIAGYGMSSA-N 1 3 301.450 2.093 20 0 DEADHO CN(C)[C@@H](C(=O)NC1CC[NH+](CC2CC(C)(C)C2)CC1)C1CC1 ZINC001227817838 803284089 /nfs/dbraw/zinc/28/40/89/803284089.db2.gz NHROJNNJBLQQKV-QGZVFWFLSA-N 1 3 321.509 2.343 20 0 DEADHO C[NH2+]C[C@H]1CCCCN1C(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC001330930828 1149336423 /nfs/dbraw/zinc/33/64/23/1149336423.db2.gz VOEPCZZZYNUIPX-ZIAGYGMSSA-N 1 3 324.856 2.034 20 0 DEADHO CC[N@H+](CCCF)CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001418569337 1167818900 /nfs/dbraw/zinc/81/89/00/1167818900.db2.gz CMQYLDWDHZZQNC-OAHLLOKOSA-N 1 3 301.450 2.047 20 0 DEADHO CC[N@@H+](CCCF)CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001418569337 1167818904 /nfs/dbraw/zinc/81/89/04/1167818904.db2.gz CMQYLDWDHZZQNC-OAHLLOKOSA-N 1 3 301.450 2.047 20 0 DEADHO CN(CC(=O)N[C@@H]1CC12CC[NH+](CC1CC1)CC2)CC(C)(C)C ZINC001370091481 1149385974 /nfs/dbraw/zinc/38/59/74/1149385974.db2.gz KTMRNUSAKMDSKF-MRXNPFEDSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]C[C@@H](O)c2ccc(F)cc2)C[C@H](C)O1 ZINC001335352026 1150399148 /nfs/dbraw/zinc/39/91/48/1150399148.db2.gz VPKJHWVHIDDCLS-RVKKMQEKSA-N 1 3 324.440 2.338 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1)N(C)C ZINC001368353968 1148422471 /nfs/dbraw/zinc/42/24/71/1148422471.db2.gz ZRXTULLCVBDHQT-MHORFTMASA-N 1 3 321.509 2.486 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1)N(C)C ZINC001368353968 1148422475 /nfs/dbraw/zinc/42/24/75/1148422475.db2.gz ZRXTULLCVBDHQT-MHORFTMASA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)[C@@H]1[NH2+]CC[C@H]2CCCC[C@H]21 ZINC001575139890 1069376355 /nfs/dbraw/zinc/37/63/55/1069376355.db2.gz OLWORPYRSXURBA-KLHDSHLOSA-N 1 3 307.482 2.144 20 0 DEADHO C[C@H](NC(=O)CN1CC[C@H](C)C1)C1C[NH+](CCC(C)(C)C)C1 ZINC001369092128 1148847049 /nfs/dbraw/zinc/84/70/49/1148847049.db2.gz MCKBSDSCXGGTBM-GJZGRUSLSA-N 1 3 309.498 2.201 20 0 DEADHO CC[C@H](C)C[NH+]1CC([C@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001369093662 1148847378 /nfs/dbraw/zinc/84/73/78/1148847378.db2.gz OKDVMENKCZXSBW-GJZGRUSLSA-N 1 3 311.514 2.447 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001499883191 1058347246 /nfs/dbraw/zinc/34/72/46/1058347246.db2.gz SJQBKEAQSROAJA-IRXDYDNUSA-N 1 3 307.482 2.242 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC=C(C)C ZINC001499955341 1058401652 /nfs/dbraw/zinc/40/16/52/1058401652.db2.gz QHPQCFIBTYOSDA-IRXDYDNUSA-N 1 3 307.482 2.408 20 0 DEADHO CC(C)C[NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CCCC1 ZINC001500095349 1058488186 /nfs/dbraw/zinc/48/81/86/1058488186.db2.gz KKGJYUKZWPMORL-MRXNPFEDSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)[C@H](O)C(C)C ZINC001462348480 1058807952 /nfs/dbraw/zinc/80/79/52/1058807952.db2.gz OXGQMHOERNSKIZ-QLOLRVAOSA-N 1 3 312.498 2.405 20 0 DEADHO CCCN(C)CC(=O)NC[C@@]1(C)CCC[N@H+](CC[C@@H](C)F)C1 ZINC001500547014 1058913925 /nfs/dbraw/zinc/91/39/25/1058913925.db2.gz MBHBQRKKXVALFA-NVXWUHKLSA-N 1 3 315.477 2.295 20 0 DEADHO CCCN(C)CC(=O)NC[C@@]1(C)CCC[N@@H+](CC[C@@H](C)F)C1 ZINC001500547014 1058913946 /nfs/dbraw/zinc/91/39/46/1058913946.db2.gz MBHBQRKKXVALFA-NVXWUHKLSA-N 1 3 315.477 2.295 20 0 DEADHO CC[C@H](F)C[NH2+]CC[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001501574487 1059555789 /nfs/dbraw/zinc/55/57/89/1059555789.db2.gz NSRFDQOKXNZDCN-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)N(C)CC(=O)NCc1cccc2c1CC[N@@H+](C(C)C)C2 ZINC001501856998 1059744965 /nfs/dbraw/zinc/74/49/65/1059744965.db2.gz WRUOOKSYLZRSFJ-UHFFFAOYSA-N 1 3 317.477 2.410 20 0 DEADHO CC(C)N(C)CC(=O)NCc1cccc2c1CC[N@H+](C(C)C)C2 ZINC001501856998 1059744984 /nfs/dbraw/zinc/74/49/84/1059744984.db2.gz WRUOOKSYLZRSFJ-UHFFFAOYSA-N 1 3 317.477 2.410 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC[C@@H](C)F)N(C)C ZINC001501889012 1059759393 /nfs/dbraw/zinc/75/93/93/1059759393.db2.gz IQPNBHNIEVXJCH-KFWWJZLASA-N 1 3 301.450 2.045 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC001502145057 1059993274 /nfs/dbraw/zinc/99/32/74/1059993274.db2.gz JRECXPPFHPNIKR-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC001502145057 1059993288 /nfs/dbraw/zinc/99/32/88/1059993288.db2.gz JRECXPPFHPNIKR-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CC1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]CCCF)CC1 ZINC001505410349 1060545098 /nfs/dbraw/zinc/54/50/98/1060545098.db2.gz HKCAVBJQCCFGST-INIZCTEOSA-N 1 3 313.461 2.049 20 0 DEADHO CC[NH+]1CCC(CNCc2nc3cc(OC)ccc3n2C)CC1 ZINC001474462047 1060875835 /nfs/dbraw/zinc/87/58/35/1060875835.db2.gz ZLCXFSIFLXLKSQ-UHFFFAOYSA-N 1 3 316.449 2.403 20 0 DEADHO Cc1ccc(F)cc1CN(C)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001505991680 1061227387 /nfs/dbraw/zinc/22/73/87/1061227387.db2.gz XZPZYPNITGTWSM-OAHLLOKOSA-N 1 3 323.456 2.412 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001479416715 1061449961 /nfs/dbraw/zinc/44/99/61/1061449961.db2.gz LFSRMJRBTKGIEM-JCNLHEQBSA-N 1 3 321.440 2.150 20 0 DEADHO CC[N@H+](CCCNC(=O)C1(N(C)C)CCC1)Cc1ccccc1 ZINC001479844321 1061895794 /nfs/dbraw/zinc/89/57/94/1061895794.db2.gz BNHGVJWDICJSRZ-UHFFFAOYSA-N 1 3 317.477 2.499 20 0 DEADHO CC[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)Cc1ccccc1 ZINC001479844321 1061895815 /nfs/dbraw/zinc/89/58/15/1061895815.db2.gz BNHGVJWDICJSRZ-UHFFFAOYSA-N 1 3 317.477 2.499 20 0 DEADHO C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1C[NH+](CC2CCC2)C1 ZINC001506639546 1062222311 /nfs/dbraw/zinc/22/23/11/1062222311.db2.gz DVZLHZQKALYVKC-CQSZACIVSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]([NH2+]Cc1ccsc1)C1CC1 ZINC001480065718 1062264289 /nfs/dbraw/zinc/26/42/89/1062264289.db2.gz KBDFOPRSXWHKQA-HNNXBMFYSA-N 1 3 309.479 2.073 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C1C[NH+](CC2CCCCC2)C1 ZINC001506672057 1062264478 /nfs/dbraw/zinc/26/44/78/1062264478.db2.gz SFTNPBRQLOMKMI-CYBMUJFWSA-N 1 3 318.465 2.277 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCc2ccsc2)C1)N(C)C ZINC001480144776 1062383947 /nfs/dbraw/zinc/38/39/47/1062383947.db2.gz NKCZOSVVPKLCRE-BZUAXINKSA-N 1 3 323.506 2.258 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3=CCCCC3)C[C@H]21)N(C)C ZINC001506791174 1062394946 /nfs/dbraw/zinc/39/49/46/1062394946.db2.gz HIXJYANAONJDQC-ZJPYXAASSA-N 1 3 319.493 2.121 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CC3=CCCCC3)C[C@H]21)N(C)C ZINC001506791174 1062394969 /nfs/dbraw/zinc/39/49/69/1062394969.db2.gz HIXJYANAONJDQC-ZJPYXAASSA-N 1 3 319.493 2.121 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001480233488 1062497345 /nfs/dbraw/zinc/49/73/45/1062497345.db2.gz CONXWJISDMBROR-OIISXLGYSA-N 1 3 303.450 2.326 20 0 DEADHO CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001480380909 1062758549 /nfs/dbraw/zinc/75/85/49/1062758549.db2.gz ZDYOGIXAJNLYHB-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001480380909 1062758572 /nfs/dbraw/zinc/75/85/72/1062758572.db2.gz ZDYOGIXAJNLYHB-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]C/C=C/Cl)CN1C(=O)CN(C)CC(C)(C)C ZINC001507328455 1063101384 /nfs/dbraw/zinc/10/13/84/1063101384.db2.gz VPEOAWFBCNPUNL-AFJNRPGYSA-N 1 3 315.889 2.296 20 0 DEADHO CC[C@H](F)CN1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001507350129 1063137433 /nfs/dbraw/zinc/13/74/33/1063137433.db2.gz ZUYMTEHGQRPJHB-UXLLHSPISA-N 1 3 313.461 2.190 20 0 DEADHO CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001480648313 1063142412 /nfs/dbraw/zinc/14/24/12/1063142412.db2.gz LCBAVCGDAGWDCL-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]C/C(Cl)=C\Cl)C1 ZINC001480675874 1063172496 /nfs/dbraw/zinc/17/24/96/1063172496.db2.gz JJGRQLFLFAONPD-GKWYLQRDSA-N 1 3 322.280 2.085 20 0 DEADHO C[NH+](C)CCC(=O)NC/C=C\CN[C@H]1CCc2ccc(F)cc21 ZINC001568911743 1065187397 /nfs/dbraw/zinc/18/73/97/1065187397.db2.gz HVTOUWXVMOIEDX-LIMHQNJXSA-N 1 3 319.424 2.027 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[NH2+]CCCCC(F)(F)F ZINC001569033304 1065251256 /nfs/dbraw/zinc/25/12/56/1065251256.db2.gz RXMAXGXCOILRKP-SNVBAGLBSA-N 1 3 320.359 2.088 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCc1cccs1 ZINC001569056791 1065263229 /nfs/dbraw/zinc/26/32/29/1065263229.db2.gz PZXVLHYWVIJSOK-GOEBONIOSA-N 1 3 323.506 2.258 20 0 DEADHO C[C@@H](CNC/C=C/Cl)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001569071215 1065268796 /nfs/dbraw/zinc/26/87/96/1065268796.db2.gz AXASDJHDWUMXKM-RNVIBTMRSA-N 1 3 315.889 2.345 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCCF ZINC001496170796 1065319195 /nfs/dbraw/zinc/31/91/95/1065319195.db2.gz RTFQCHOUCCZKGO-LSDHHAIUSA-N 1 3 301.450 2.045 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@H](C[NH2+]Cc1ccsc1)C1CC1)N(C)C ZINC001369216949 1148871866 /nfs/dbraw/zinc/87/18/66/1148871866.db2.gz QLOYRGUDQAKOCD-JKSUJKDBSA-N 1 3 323.506 2.415 20 0 DEADHO CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1ccccc1F ZINC001496646615 1065615251 /nfs/dbraw/zinc/61/52/51/1065615251.db2.gz ZTNOPDTXBPNLAY-WBVHZDCISA-N 1 3 321.440 2.008 20 0 DEADHO CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1ccccc1F ZINC001496646615 1065615257 /nfs/dbraw/zinc/61/52/57/1065615257.db2.gz ZTNOPDTXBPNLAY-WBVHZDCISA-N 1 3 321.440 2.008 20 0 DEADHO CC/C=C/CC[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001569685147 1065669957 /nfs/dbraw/zinc/66/99/57/1065669957.db2.gz LXCOJRQAIKBGQB-BDUNBXCCSA-N 1 3 304.438 2.137 20 0 DEADHO CC(C)CC[NH2+]CC[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001570004484 1065875202 /nfs/dbraw/zinc/87/52/02/1065875202.db2.gz JNRHUIQOPIVPPT-IAGOWNOFSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]CC1CC(C)(C)C1)N(C)C ZINC001497266772 1065998485 /nfs/dbraw/zinc/99/84/85/1065998485.db2.gz ZQUPBKSBOMFLNE-GOEBONIOSA-N 1 3 311.514 2.493 20 0 DEADHO CCN(CCNC/C=C/Cl)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001497406496 1066076821 /nfs/dbraw/zinc/07/68/21/1066076821.db2.gz BUDQEVSWELDJKC-LTBMOJJQSA-N 1 3 313.873 2.194 20 0 DEADHO CCN(CCNC/C=C/Cl)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001497406496 1066076832 /nfs/dbraw/zinc/07/68/32/1066076832.db2.gz BUDQEVSWELDJKC-LTBMOJJQSA-N 1 3 313.873 2.194 20 0 DEADHO CC(C)(C)O[C@@H]1C[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)[C@@H]1n1cccn1 ZINC001575246199 1066237158 /nfs/dbraw/zinc/23/71/58/1066237158.db2.gz HRUPBZYRMLMHAG-NPJQDHAYSA-N 1 3 306.454 2.240 20 0 DEADHO CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC001575435065 1066302133 /nfs/dbraw/zinc/30/21/33/1066302133.db2.gz UVVLHOUNHGZSRS-ROUUACIJSA-N 1 3 317.477 2.041 20 0 DEADHO CC(C)C[C@H]([NH3+])CC(=O)N(CCN(C)C)Cc1ccccc1 ZINC001575644447 1066386602 /nfs/dbraw/zinc/38/66/02/1066386602.db2.gz LOXFIQGKPZBFAE-KRWDZBQOSA-N 1 3 305.466 2.340 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]Cc1cc(C)ccc1C ZINC001497969661 1066437023 /nfs/dbraw/zinc/43/70/23/1066437023.db2.gz ZSLZXZJQUMTQNJ-MRXNPFEDSA-N 1 3 305.466 2.240 20 0 DEADHO C[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])CC1)[C@H](c1ccccc1)N(C)C ZINC001576220715 1066524407 /nfs/dbraw/zinc/52/44/07/1066524407.db2.gz NLSAXYYUSGAXBS-QMCVQRASSA-N 1 3 303.450 2.312 20 0 DEADHO CC1(C)[C@H](N)C[C@@H]1[NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001576381735 1066581901 /nfs/dbraw/zinc/58/19/01/1066581901.db2.gz FMOFMZAWSWFZAJ-XHSDSOJGSA-N 1 3 317.433 2.113 20 0 DEADHO C[C@H]1C[C@@H](C[N@@H+]2CCC[C@H](N)C2)CCN1C(=O)OC(C)(C)C ZINC001576600243 1066643262 /nfs/dbraw/zinc/64/32/62/1066643262.db2.gz ZUOQWRIENZUNPW-KKUMJFAQSA-N 1 3 311.470 2.445 20 0 DEADHO C[C@H]1C[C@@H](C[N@H+]2CCC[C@H](N)C2)CCN1C(=O)OC(C)(C)C ZINC001576600243 1066643266 /nfs/dbraw/zinc/64/32/66/1066643266.db2.gz ZUOQWRIENZUNPW-KKUMJFAQSA-N 1 3 311.470 2.445 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CC2(CN)CCC2)CCN1C(=O)OC(C)(C)C ZINC001576623366 1066647801 /nfs/dbraw/zinc/64/78/01/1066647801.db2.gz KDGSRFUCEFMZGA-KBPBESRZSA-N 1 3 311.470 2.493 20 0 DEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN[C@H](C)[C@@H]2C)C1 ZINC001577260542 1066799580 /nfs/dbraw/zinc/79/95/80/1066799580.db2.gz RRMNWWSCZULOSC-OWCLPIDISA-N 1 3 324.513 2.279 20 0 DEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN[C@H](C)[C@@H]2C)C1 ZINC001577260542 1066799585 /nfs/dbraw/zinc/79/95/85/1066799585.db2.gz RRMNWWSCZULOSC-OWCLPIDISA-N 1 3 324.513 2.279 20 0 DEADHO CCCN(C(=O)NCc1ccc([C@H](C)[NH3+])cc1)[C@@H]1CCN(C)C1 ZINC001577492093 1066858608 /nfs/dbraw/zinc/85/86/08/1066858608.db2.gz HMHXDHRVYCIJGZ-WMLDXEAASA-N 1 3 318.465 2.332 20 0 DEADHO CC[NH2+][C@@H](C)C(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC001577800756 1066929112 /nfs/dbraw/zinc/92/91/12/1066929112.db2.gz YHSVSFJBNXFPLO-RDJZCZTQSA-N 1 3 303.450 2.107 20 0 DEADHO CC[C@@H](N)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC001578221610 1067022150 /nfs/dbraw/zinc/02/21/50/1067022150.db2.gz GNJCUQAICPMNAP-UKRRQHHQSA-N 1 3 309.479 2.074 20 0 DEADHO CC[C@@H](N)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC001578221610 1067022160 /nfs/dbraw/zinc/02/21/60/1067022160.db2.gz GNJCUQAICPMNAP-UKRRQHHQSA-N 1 3 309.479 2.074 20 0 DEADHO CCc1ccc([C@H](CNC(=O)C2(F)CC[NH2+]CC2)N(C)C)cc1 ZINC001578253643 1067035023 /nfs/dbraw/zinc/03/50/23/1067035023.db2.gz HYMPSMVAVVTURG-INIZCTEOSA-N 1 3 321.440 2.060 20 0 DEADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCN1CCC1CCCCC1 ZINC001499048680 1067052612 /nfs/dbraw/zinc/05/26/12/1067052612.db2.gz QOIXGLCPORRWRZ-KRWDZBQOSA-N 1 3 309.498 2.489 20 0 DEADHO CN(C)c1ccc(F)cc1CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001578425646 1067098506 /nfs/dbraw/zinc/09/85/06/1067098506.db2.gz KSYWKBJGARMAGC-AEFFLSMTSA-N 1 3 321.440 2.220 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)N(CCC[NH3+])CC1CCCC1 ZINC001578529240 1067124905 /nfs/dbraw/zinc/12/49/05/1067124905.db2.gz RQJUZAZAAYVRSZ-INIZCTEOSA-N 1 3 310.486 2.021 20 0 DEADHO COc1ccc([C@@H](NC[C@H](O)CC[NH3+])c2ccc(F)cc2)cc1 ZINC001579200200 1067256681 /nfs/dbraw/zinc/25/66/81/1067256681.db2.gz RNTZXVSTEAPDBH-AEFFLSMTSA-N 1 3 318.392 2.223 20 0 DEADHO Fc1cccc(-c2ccc(CN[C@H]3COC4(C[NH2+]C4)C3)o2)c1F ZINC001580033388 1067477039 /nfs/dbraw/zinc/47/70/39/1067477039.db2.gz KVJISGNGZPKQRX-LLVKDONJSA-N 1 3 320.339 2.445 20 0 DEADHO [NH3+][C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C1CCCCC1 ZINC001580111455 1067496369 /nfs/dbraw/zinc/49/63/69/1067496369.db2.gz GPIXHQPBUXWUIJ-MSOLQXFVSA-N 1 3 315.461 2.285 20 0 DEADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C[C@H](O)c2cccc(F)c2)C1 ZINC001580201126 1067522730 /nfs/dbraw/zinc/52/27/30/1067522730.db2.gz ZDQXVYAWHOWFJG-BDXSIMOUSA-N 1 3 322.424 2.220 20 0 DEADHO C[C@H](F)CC[NH2+]CC1CC(NC(=O)CN(C)CC(C)(C)C)C1 ZINC001570573109 1068014901 /nfs/dbraw/zinc/01/49/01/1068014901.db2.gz IGTXQZVOHJECNQ-NFOMZHRRSA-N 1 3 315.477 2.197 20 0 DEADHO C[C@@H]([NH2+]CCCF)[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001570653708 1068056413 /nfs/dbraw/zinc/05/64/13/1068056413.db2.gz VDLMKAVUVMJGKL-KGLIPLIRSA-N 1 3 309.429 2.204 20 0 DEADHO CC/C=C\CC[N@H+]1C[C@@H]2C(CNC(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC001570931951 1068162349 /nfs/dbraw/zinc/16/23/49/1068162349.db2.gz MVCSXJLIDCZMLQ-XMAVSDRGSA-N 1 3 319.493 2.121 20 0 DEADHO CC/C=C\CC[N@@H+]1C[C@@H]2C(CNC(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC001570931951 1068162354 /nfs/dbraw/zinc/16/23/54/1068162354.db2.gz MVCSXJLIDCZMLQ-XMAVSDRGSA-N 1 3 319.493 2.121 20 0 DEADHO CC/C=C/CC[N@@H+]1CC[C@@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001267306060 1078752863 /nfs/dbraw/zinc/75/28/63/1078752863.db2.gz QQCAMZNWJQAJML-RGDDUWESSA-N 1 3 304.438 2.055 20 0 DEADHO CC/C=C/CC[N@H+]1CC[C@@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001267306060 1078752872 /nfs/dbraw/zinc/75/28/72/1078752872.db2.gz QQCAMZNWJQAJML-RGDDUWESSA-N 1 3 304.438 2.055 20 0 DEADHO C[NH+](C)CC1(C(=O)NC[C@@H]2CCN2CCC2CC2)CCCCC1 ZINC001483668232 1078766349 /nfs/dbraw/zinc/76/63/49/1078766349.db2.gz TXNZPDYOLOSEIQ-KRWDZBQOSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@H](C(=O)N(C)CC[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001267390906 1078824248 /nfs/dbraw/zinc/82/42/48/1078824248.db2.gz XBNGTMSVOJMSNT-MRXNPFEDSA-N 1 3 309.429 2.044 20 0 DEADHO CC(C)N(C(=O)CN1CCC([C@@H]2C[C@H]2[NH3+])CC1)C1CCCC1 ZINC001573519707 1069028038 /nfs/dbraw/zinc/02/80/38/1069028038.db2.gz SEKQJZXORDFXRY-DLBZAZTESA-N 1 3 307.482 2.225 20 0 DEADHO C[C@@H](N)C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC001573552681 1069037360 /nfs/dbraw/zinc/03/73/60/1069037360.db2.gz HFKLYRFITBZNNI-SNVBAGLBSA-N 1 3 311.813 2.099 20 0 DEADHO C[C@@]1(Cc2ccccc2F)CCC[N@@H+]1C[C@@]1(O)CCCNC1 ZINC001573622149 1069052562 /nfs/dbraw/zinc/05/25/62/1069052562.db2.gz HWBKUVBZZUZMCV-ZWKOTPCHSA-N 1 3 306.425 2.337 20 0 DEADHO C[C@@]1(Cc2ccccc2F)CCC[N@H+]1C[C@@]1(O)CCCNC1 ZINC001573622149 1069052564 /nfs/dbraw/zinc/05/25/64/1069052564.db2.gz HWBKUVBZZUZMCV-ZWKOTPCHSA-N 1 3 306.425 2.337 20 0 DEADHO C[C@@]1(Cc2ccccc2F)CCCN1C[C@@]1(O)CCC[NH2+]C1 ZINC001573622149 1069052566 /nfs/dbraw/zinc/05/25/66/1069052566.db2.gz HWBKUVBZZUZMCV-ZWKOTPCHSA-N 1 3 306.425 2.337 20 0 DEADHO CCC(CC)CN1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001272424536 1078865238 /nfs/dbraw/zinc/86/52/38/1078865238.db2.gz USVXWLRAHTVSJQ-SFHVURJKSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)CC[N@H+](C)CCNC(=O)c1cccc(CN(C)C)c1 ZINC001480950022 1078890480 /nfs/dbraw/zinc/89/04/80/1078890480.db2.gz CPTOUQLMDVGFMY-UHFFFAOYSA-N 1 3 305.466 2.456 20 0 DEADHO CC(C)CC[N@@H+](C)CCNC(=O)c1cccc(CN(C)C)c1 ZINC001480950022 1078890481 /nfs/dbraw/zinc/89/04/81/1078890481.db2.gz CPTOUQLMDVGFMY-UHFFFAOYSA-N 1 3 305.466 2.456 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001544170003 1072521367 /nfs/dbraw/zinc/52/13/67/1072521367.db2.gz UBPOJUWEWZLEMV-OKILXGFUSA-N 1 3 306.454 2.135 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001544170003 1072521377 /nfs/dbraw/zinc/52/13/77/1072521377.db2.gz UBPOJUWEWZLEMV-OKILXGFUSA-N 1 3 306.454 2.135 20 0 DEADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC[C@H]3CCCCN3C3CC3)C[N@@H+]2C1 ZINC001548694026 1072809966 /nfs/dbraw/zinc/80/99/66/1072809966.db2.gz KIDRDXCPQBAMQK-XYVMCAHJSA-N 1 3 319.493 2.240 20 0 DEADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC[C@H]3CCCCN3C3CC3)C[N@H+]2C1 ZINC001548694026 1072809982 /nfs/dbraw/zinc/80/99/82/1072809982.db2.gz KIDRDXCPQBAMQK-XYVMCAHJSA-N 1 3 319.493 2.240 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](CC)[C@@H]1CCc2ccccc21)N(C)C ZINC001480982996 1079027221 /nfs/dbraw/zinc/02/72/21/1079027221.db2.gz NABNENRYRVITST-QZTJIDSGSA-N 1 3 317.477 2.452 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](CC)[C@@H]1CCc2ccccc21)N(C)C ZINC001480982996 1079027230 /nfs/dbraw/zinc/02/72/30/1079027230.db2.gz NABNENRYRVITST-QZTJIDSGSA-N 1 3 317.477 2.452 20 0 DEADHO CCn1cc([C@@H]2OCCC[C@@H]2C[NH2+][C@H]2CCCC[C@@H]2CN)cn1 ZINC001549338675 1073131168 /nfs/dbraw/zinc/13/11/68/1073131168.db2.gz WZMDXWOARWXDSX-XYVMCAHJSA-N 1 3 320.481 2.478 20 0 DEADHO [NH3+]C[C@]12CCC[C@@H]1CN(C[C@H]1CCC3(CCOCC3)CO1)C2 ZINC001550174513 1073475999 /nfs/dbraw/zinc/47/59/99/1073475999.db2.gz BMLRUZQRWHHAEK-NUJGCVRESA-N 1 3 308.466 2.023 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[N@H+](CC1CCC1)C(C)C ZINC001649439643 1079119968 /nfs/dbraw/zinc/11/99/68/1079119968.db2.gz FOOQXIIGYMFJGC-UHFFFAOYSA-N 1 3 306.454 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCC[N@@H+](CC1CCC1)C(C)C ZINC001649439643 1079119971 /nfs/dbraw/zinc/11/99/71/1079119971.db2.gz FOOQXIIGYMFJGC-UHFFFAOYSA-N 1 3 306.454 2.277 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](N[C@@H](C)c3c[nH]nc3C)[C@@H](O)C2)[C@H]1C(C)C ZINC001550356479 1073612855 /nfs/dbraw/zinc/61/28/55/1073612855.db2.gz WCYQVHSUBQBETQ-BDISVTLVSA-N 1 3 320.481 2.239 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](N[C@@H](C)c3c[nH]nc3C)[C@@H](O)C2)[C@H]1C(C)C ZINC001550356479 1073612860 /nfs/dbraw/zinc/61/28/60/1073612860.db2.gz WCYQVHSUBQBETQ-BDISVTLVSA-N 1 3 320.481 2.239 20 0 DEADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cccc(O)c3)C2)[C@H]1C(C)C ZINC001550422912 1073648107 /nfs/dbraw/zinc/64/81/07/1073648107.db2.gz FFCUUBUFBASFJL-OKYOBFRVSA-N 1 3 318.461 2.352 20 0 DEADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cccc(O)c3)C2)[C@H]1C(C)C ZINC001550422912 1073648112 /nfs/dbraw/zinc/64/81/12/1073648112.db2.gz FFCUUBUFBASFJL-OKYOBFRVSA-N 1 3 318.461 2.352 20 0 DEADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3ccc(F)nc3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550423284 1073649084 /nfs/dbraw/zinc/64/90/84/1073649084.db2.gz KSFGXZQQMLHWBV-FZCLSBEQSA-N 1 3 321.440 2.180 20 0 DEADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3ccc(F)nc3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550423284 1073649086 /nfs/dbraw/zinc/64/90/86/1073649086.db2.gz KSFGXZQQMLHWBV-FZCLSBEQSA-N 1 3 321.440 2.180 20 0 DEADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](N[C@@H](C)c1ccns1)[C@@H](O)C2 ZINC001550521408 1073691262 /nfs/dbraw/zinc/69/12/62/1073691262.db2.gz IQBBUNLLQBWAGT-ABNPOPBRSA-N 1 3 309.479 2.273 20 0 DEADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](N[C@@H](C)c1ccns1)[C@@H](O)C2 ZINC001550521408 1073691264 /nfs/dbraw/zinc/69/12/64/1073691264.db2.gz IQBBUNLLQBWAGT-ABNPOPBRSA-N 1 3 309.479 2.273 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)N1CCCC1 ZINC001481072240 1079149817 /nfs/dbraw/zinc/14/98/17/1079149817.db2.gz WDQGZIPIZWTDKF-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)N1CCCC1 ZINC001481072240 1079149820 /nfs/dbraw/zinc/14/98/20/1079149820.db2.gz WDQGZIPIZWTDKF-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO Nc1c(F)cccc1CN1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC001550705663 1073817615 /nfs/dbraw/zinc/81/76/15/1073817615.db2.gz ZKNMQICOEZILOI-BMFZPTHFSA-N 1 3 307.413 2.269 20 0 DEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C[NH2+]C(C)(C)C)CC1 ZINC001649728063 1079177929 /nfs/dbraw/zinc/17/79/29/1079177929.db2.gz UQIAGLGELHJTMR-CQSZACIVSA-N 1 3 318.465 2.111 20 0 DEADHO C[NH+](C)CCC(=O)NC1(C)CCN(Cc2ccsc2)CC1 ZINC001483971106 1079213820 /nfs/dbraw/zinc/21/38/20/1079213820.db2.gz NWXPXIJVXIXYBU-UHFFFAOYSA-N 1 3 309.479 2.171 20 0 DEADHO COc1ccc(C[NH2+]C2CCC(C)(N3CCOCC3)CC2)o1 ZINC001551238735 1074128137 /nfs/dbraw/zinc/12/81/37/1074128137.db2.gz YNLQFVDPSJMDJC-UHFFFAOYSA-N 1 3 308.422 2.411 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC001551422681 1074212349 /nfs/dbraw/zinc/21/23/49/1074212349.db2.gz LVJBJGKZFHPJIX-YESZJQIVSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC2CCC(O)CC2)CC1 ZINC001649821052 1079236401 /nfs/dbraw/zinc/23/64/01/1079236401.db2.gz BSRGXYVYUIEUET-YYZRRKBYSA-N 1 3 323.525 2.028 20 0 DEADHO C[C@@H](N[C@@H](C)CN(C)C(=O)CC[NH+](C)C)c1ccccc1F ZINC001369274655 1148888292 /nfs/dbraw/zinc/88/82/92/1148888292.db2.gz HEZBMRYXUWHRHE-UONOGXRCSA-N 1 3 309.429 2.275 20 0 DEADHO CN(C(=O)CC[NH2+][C@H]1C[C@@H](N2CCCC2)C1)c1ccccc1 ZINC001646532116 1074473112 /nfs/dbraw/zinc/47/31/12/1074473112.db2.gz GUBJOLHIPSUAJI-WOVMCDHWSA-N 1 3 301.434 2.256 20 0 DEADHO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H]1C[C@@H](N2CCCC2)C1 ZINC001646534650 1074474701 /nfs/dbraw/zinc/47/47/01/1074474701.db2.gz TZTLWWYVPYCLAD-FGTMMUONSA-N 1 3 318.461 2.260 20 0 DEADHO CN(C)C[C@H](NC(=O)[C@H]1CCCC[NH2+]C1)c1ccc(Cl)cc1 ZINC001552427717 1074575004 /nfs/dbraw/zinc/57/50/04/1074575004.db2.gz RHASPTDFROVALZ-HOCLYGCPSA-N 1 3 323.868 2.449 20 0 DEADHO [NH3+][C@H]1C[C@H](c2ccccc2)N(C(=O)c2cccc3c2CNC3)C1 ZINC001552433150 1074576646 /nfs/dbraw/zinc/57/66/46/1074576646.db2.gz GEHVAZJLGATANW-MAUKXSAKSA-N 1 3 307.397 2.204 20 0 DEADHO c1cc2c(c(-c3nc([C@@H]4CN5CCC4CC5)no3)c1)CC[NH2+]C2 ZINC001552468277 1074582135 /nfs/dbraw/zinc/58/21/35/1074582135.db2.gz DSSYIKWDNPKPHZ-MRXNPFEDSA-N 1 3 310.401 2.192 20 0 DEADHO C[C@@H]1C[C@H](C(=O)N(CCN(C)C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC001646751849 1074598996 /nfs/dbraw/zinc/59/89/96/1074598996.db2.gz YZSZXXSLQKVWTC-GDBMZVCRSA-N 1 3 321.440 2.104 20 0 DEADHO CCn1ccnc1[C@@H]1OCC[C@@H]1C[NH+]1CCC(N(C)C)CC1 ZINC001552824850 1074668096 /nfs/dbraw/zinc/66/80/96/1074668096.db2.gz PTRXGSIDSINMGL-GDBMZVCRSA-N 1 3 306.454 2.007 20 0 DEADHO CC(C)c1nnc2n1C[C@H](N[C@@H]1[C@H]3CCC[NH2+][C@@H]3C1(C)C)CC2 ZINC001553023910 1074738801 /nfs/dbraw/zinc/73/88/01/1074738801.db2.gz SWVPAYAXMLBMDP-BFJAYTPKSA-N 1 3 317.481 2.083 20 0 DEADHO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H]1[C@H]3CCCN[C@@H]3C1(C)C)CC2 ZINC001553023910 1074738806 /nfs/dbraw/zinc/73/88/06/1074738806.db2.gz SWVPAYAXMLBMDP-BFJAYTPKSA-N 1 3 317.481 2.083 20 0 DEADHO CC[NH+](CC)CC[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001647013530 1074767689 /nfs/dbraw/zinc/76/76/89/1074767689.db2.gz KOEZFIMRVAPENG-RHSMWYFYSA-N 1 3 315.477 2.436 20 0 DEADHO CCN1CCC[C@@H](NC(=O)N2CCCC[C@@H]2C2(C[NH3+])CCC2)C1 ZINC001553442353 1074874831 /nfs/dbraw/zinc/87/48/31/1074874831.db2.gz YURSZWMCVVAXSJ-HZPDHXFCSA-N 1 3 322.497 2.164 20 0 DEADHO CCN1CCC[C@@H](C[NH2+]Cc2cn(C)nc2-c2cccnc2)C1 ZINC000063917473 1075006893 /nfs/dbraw/zinc/00/68/93/1075006893.db2.gz JFWJXBXFWAYUJU-HNNXBMFYSA-N 1 3 313.449 2.304 20 0 DEADHO CCCCC[NH2+][C@@H]1CC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001565908766 1075205193 /nfs/dbraw/zinc/20/51/93/1075205193.db2.gz YWCLRLLDXOCANV-YESZJQIVSA-N 1 3 309.498 2.393 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCCN(C)CCC(F)(F)F ZINC001566453229 1075248546 /nfs/dbraw/zinc/24/85/46/1075248546.db2.gz GSSAVHFGPUFSCG-ZDUSSCGKSA-N 1 3 323.403 2.250 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCCN(C)CCC(F)(F)F ZINC001566453229 1075248548 /nfs/dbraw/zinc/24/85/48/1075248548.db2.gz GSSAVHFGPUFSCG-ZDUSSCGKSA-N 1 3 323.403 2.250 20 0 DEADHO CC1CCN(CCNC(=O)N2CCC(C(C)(C)C[NH3+])CC2)CC1 ZINC001650155149 1079424728 /nfs/dbraw/zinc/42/47/28/1079424728.db2.gz KNEPEPACDQOWCL-UHFFFAOYSA-N 1 3 324.513 2.125 20 0 DEADHO O[C@H](CN1CCC([C@H]2[NH2+]CC23CCC3)CC1)CC(F)(F)F ZINC001580877900 1076011090 /nfs/dbraw/zinc/01/10/90/1076011090.db2.gz GMORDKODDSDGKK-QWHCGFSZSA-N 1 3 306.372 2.154 20 0 DEADHO C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589962295 1076537332 /nfs/dbraw/zinc/53/73/32/1076537332.db2.gz RVKSTTLGTNQUPB-KGLIPLIRSA-N 1 3 314.437 2.249 20 0 DEADHO C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589962295 1076537336 /nfs/dbraw/zinc/53/73/36/1076537336.db2.gz RVKSTTLGTNQUPB-KGLIPLIRSA-N 1 3 314.437 2.249 20 0 DEADHO C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589962295 1076537340 /nfs/dbraw/zinc/53/73/40/1076537340.db2.gz RVKSTTLGTNQUPB-KGLIPLIRSA-N 1 3 314.437 2.249 20 0 DEADHO C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589962295 1076537345 /nfs/dbraw/zinc/53/73/45/1076537345.db2.gz RVKSTTLGTNQUPB-KGLIPLIRSA-N 1 3 314.437 2.249 20 0 DEADHO C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589978519 1076541815 /nfs/dbraw/zinc/54/18/15/1076541815.db2.gz NCXKSUNFAXFDOI-NSHDSACASA-N 1 3 318.400 2.046 20 0 DEADHO C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001589978519 1076541818 /nfs/dbraw/zinc/54/18/18/1076541818.db2.gz NCXKSUNFAXFDOI-NSHDSACASA-N 1 3 318.400 2.046 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001650348064 1079547720 /nfs/dbraw/zinc/54/77/20/1079547720.db2.gz JVQNAZMKLWHAPT-RANZSIQMSA-N 1 3 315.461 2.141 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@]1(C[NH2+]CCCF)CCCC[C@H]1C ZINC001267873602 1079560965 /nfs/dbraw/zinc/56/09/65/1079560965.db2.gz JVGSGPBDVATGJC-DYVFJYSZSA-N 1 3 324.444 2.275 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CC[C@H](C[NH2+]CC(C)C)CC1)N(C)C ZINC001484396817 1079585410 /nfs/dbraw/zinc/58/54/10/1079585410.db2.gz QHNWKFHVZRMRHX-ULQDDVLXSA-N 1 3 311.514 2.495 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CC[NH+](CC1CCCC1)CC2 ZINC001484581751 1079669475 /nfs/dbraw/zinc/66/94/75/1079669475.db2.gz PKLOJGYQNUCNJE-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CCC[NH2+][C@@H](CNC(=O)CN(C)C1CCC1)c1ccccc1 ZINC001481366227 1079760423 /nfs/dbraw/zinc/76/04/23/1079760423.db2.gz DHOQMYKFTHOXHG-KRWDZBQOSA-N 1 3 303.450 2.328 20 0 DEADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]CCCCCF ZINC001484890069 1079839254 /nfs/dbraw/zinc/83/92/54/1079839254.db2.gz ZDPOQLHOLRSDFK-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001481462668 1079910081 /nfs/dbraw/zinc/91/00/81/1079910081.db2.gz UZBMVZYGIRIZCD-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001481462668 1079910083 /nfs/dbraw/zinc/91/00/83/1079910083.db2.gz UZBMVZYGIRIZCD-KRWDZBQOSA-N 1 3 309.498 2.345 20 0 DEADHO CCCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001656084198 1080038133 /nfs/dbraw/zinc/03/81/33/1080038133.db2.gz DHSDUPDYSKYCDU-YESZJQIVSA-N 1 3 309.498 2.440 20 0 DEADHO CCCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001656084198 1080038138 /nfs/dbraw/zinc/03/81/38/1080038138.db2.gz DHSDUPDYSKYCDU-YESZJQIVSA-N 1 3 309.498 2.440 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]C/C=C\Cl ZINC001268098529 1080070384 /nfs/dbraw/zinc/07/03/84/1080070384.db2.gz SYKXVXFNUXFLPS-TXKQXAOOSA-N 1 3 301.862 2.050 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000074249187 1080205517 /nfs/dbraw/zinc/20/55/17/1080205517.db2.gz OJCVLZHXMLTZOK-SFHVURJKSA-N 1 3 317.477 2.499 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000074249187 1080205524 /nfs/dbraw/zinc/20/55/24/1080205524.db2.gz OJCVLZHXMLTZOK-SFHVURJKSA-N 1 3 317.477 2.499 20 0 DEADHO CC(C)N(C)CC(=O)NCC1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001481669304 1080275507 /nfs/dbraw/zinc/27/55/07/1080275507.db2.gz HMCQNIFPMIYWMN-HNNXBMFYSA-N 1 3 303.450 2.136 20 0 DEADHO CCN(CCNCc1ccsc1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268451043 1080481658 /nfs/dbraw/zinc/48/16/58/1080481658.db2.gz CBVBQIZEOCSJJF-UKRRQHHQSA-N 1 3 309.479 2.026 20 0 DEADHO CCN(CCNCc1ccsc1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268451043 1080481661 /nfs/dbraw/zinc/48/16/61/1080481661.db2.gz CBVBQIZEOCSJJF-UKRRQHHQSA-N 1 3 309.479 2.026 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C(C)C ZINC001496626519 1080494852 /nfs/dbraw/zinc/49/48/52/1080494852.db2.gz DPEZBHXQDAQUBZ-OAHLLOKOSA-N 1 3 308.470 2.427 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CC)NCc1ccns1 ZINC001481817597 1080522946 /nfs/dbraw/zinc/52/29/46/1080522946.db2.gz YBUUUMITEDLYMG-DZGCQCFKSA-N 1 3 324.494 2.002 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CC)NCc1ccns1 ZINC001481817597 1080522950 /nfs/dbraw/zinc/52/29/50/1080522950.db2.gz YBUUUMITEDLYMG-DZGCQCFKSA-N 1 3 324.494 2.002 20 0 DEADHO CC[C@H](C(=O)N(CC)CC[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001268458879 1080525272 /nfs/dbraw/zinc/52/52/72/1080525272.db2.gz UOESDSQLGRLPAZ-QGZVFWFLSA-N 1 3 305.466 2.273 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(C)C)[C@H](C)C1 ZINC001107036662 1080551485 /nfs/dbraw/zinc/55/14/85/1080551485.db2.gz OTWNRYPLXZBFSE-BRWVUGGUSA-N 1 3 309.498 2.201 20 0 DEADHO CCCCC[NH2+][C@@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001662334208 1080598123 /nfs/dbraw/zinc/59/81/23/1080598123.db2.gz DCYAYUZBYZDXHH-WMLDXEAASA-N 1 3 315.477 2.483 20 0 DEADHO CC[C@@H](F)C[NH2+]CCN(CC)C(=O)[C@@H]1CCCCN1CC ZINC001268499662 1080648277 /nfs/dbraw/zinc/64/82/77/1080648277.db2.gz OLUNBIFVZLEZFY-CABCVRRESA-N 1 3 301.450 2.047 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H](CC[NH2+]CC2CCC2)C1)N(C)C ZINC001481983952 1080669292 /nfs/dbraw/zinc/66/92/92/1080669292.db2.gz LQVZFDDCWNUKFZ-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001482020840 1080696164 /nfs/dbraw/zinc/69/61/64/1080696164.db2.gz LYILPDXMVQHZKO-QBPKDAKJSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC[C@H]1CCCC1(F)F)N(C)C ZINC001268692927 1080937830 /nfs/dbraw/zinc/93/78/30/1080937830.db2.gz OHKCIGXZTPTNAO-BFHYXJOUSA-N 1 3 319.440 2.246 20 0 DEADHO CCCCC[NH2+]CC[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001666152616 1081128566 /nfs/dbraw/zinc/12/85/66/1081128566.db2.gz RPQBFTFDNPEPNQ-HNNXBMFYSA-N 1 3 306.454 2.361 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC(CC[NH2+]CCC3CC3)CC2)C1 ZINC001666244705 1081136005 /nfs/dbraw/zinc/13/60/05/1081136005.db2.gz GOOMZJBVLFHKFV-INIZCTEOSA-N 1 3 321.509 2.347 20 0 DEADHO CC[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CCCF ZINC001269168575 1081148748 /nfs/dbraw/zinc/14/87/48/1081148748.db2.gz HSKQXDUWJUFOJE-ZBFHGGJFSA-N 1 3 313.461 2.047 20 0 DEADHO CCCCC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001667177373 1081219934 /nfs/dbraw/zinc/21/99/34/1081219934.db2.gz WAZZTNOQDXUUDT-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCCF ZINC001269470980 1081258631 /nfs/dbraw/zinc/25/86/31/1081258631.db2.gz CWGWZWDZMRQAGQ-CJNGLKHVSA-N 1 3 319.440 2.043 20 0 DEADHO CC[C@@H](C(=O)N(CC)CC[NH2+]C[C@H]1CCC(F)(F)C1)N(C)C ZINC001668618874 1081373326 /nfs/dbraw/zinc/37/33/26/1081373326.db2.gz CFBKZXDOHJLYNZ-KBPBESRZSA-N 1 3 319.440 2.200 20 0 DEADHO Cc1ccc(C)c(C[NH2+]C/C=C/CNC(=O)CN(C)C(C)C)c1 ZINC001669209159 1081438483 /nfs/dbraw/zinc/43/84/83/1081438483.db2.gz YVNYLKUNERHIEG-VOTSOKGWSA-N 1 3 317.477 2.406 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1=CCCCC1 ZINC001669308278 1081444926 /nfs/dbraw/zinc/44/49/26/1081444926.db2.gz QFYPGWQSLUWJQD-WBVHZDCISA-N 1 3 307.482 2.456 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC1=CCCCC1 ZINC001669308276 1081445092 /nfs/dbraw/zinc/44/50/92/1081445092.db2.gz QFYPGWQSLUWJQD-NVXWUHKLSA-N 1 3 307.482 2.456 20 0 DEADHO CCCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@H]2C1 ZINC001672447704 1081600513 /nfs/dbraw/zinc/60/05/13/1081600513.db2.gz OZEBJPFERZDDGM-KSZLIROESA-N 1 3 321.509 2.441 20 0 DEADHO CCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@H]2C1 ZINC001672447704 1081600518 /nfs/dbraw/zinc/60/05/18/1081600518.db2.gz OZEBJPFERZDDGM-KSZLIROESA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[C@H](C[NH2+]CC1CC1)NC(=O)[C@H]1CCCN1C(C)C ZINC001482384152 1081784257 /nfs/dbraw/zinc/78/42/57/1081784257.db2.gz KSABKDNTYDKLBR-IAGOWNOFSA-N 1 3 309.498 2.390 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1C[NH2+]CCCCCF ZINC001674396456 1081866403 /nfs/dbraw/zinc/86/64/03/1081866403.db2.gz OPWHBJWVZURTRE-HNNXBMFYSA-N 1 3 310.417 2.063 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCc1ccccc1)N(C)C ZINC001271170169 1081972607 /nfs/dbraw/zinc/97/26/07/1081972607.db2.gz HRNRRYKTZKENQP-WBVHZDCISA-N 1 3 305.466 2.006 20 0 DEADHO CC/C=C\CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266533765 1082127037 /nfs/dbraw/zinc/12/70/37/1082127037.db2.gz QCXGBTAWCAWRKT-PRJTXATQSA-N 1 3 309.498 2.367 20 0 DEADHO CC/C=C\CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266533765 1082127039 /nfs/dbraw/zinc/12/70/39/1082127039.db2.gz QCXGBTAWCAWRKT-PRJTXATQSA-N 1 3 309.498 2.367 20 0 DEADHO CCc1cccc(C[NH2+]CCN(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001266724212 1082305945 /nfs/dbraw/zinc/30/59/45/1082305945.db2.gz IFVOWJMMYFAJKT-UHFFFAOYSA-N 1 3 317.477 2.281 20 0 DEADHO CCc1ccccc1CN(C)CCN(C)C(=O)CC[NH+](C)C ZINC001496777667 1082499936 /nfs/dbraw/zinc/49/99/36/1082499936.db2.gz PNJSJMDAPJKJBW-UHFFFAOYSA-N 1 3 305.466 2.091 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CC[NH2+]Cc1cccc(F)c1 ZINC001482890205 1082548436 /nfs/dbraw/zinc/54/84/36/1082548436.db2.gz LMTGALGMFRSXFD-LBPRGKRZSA-N 1 3 318.396 2.084 20 0 DEADHO CC1CCC(C[NH2+]C/C=C/CNC(=O)[C@H]2CCCN2C)CC1 ZINC001483043258 1082644853 /nfs/dbraw/zinc/64/48/53/1082644853.db2.gz HBOUOTYWNDTGGW-ILRCCMBPSA-N 1 3 307.482 2.169 20 0 DEADHO Cc1cccc(C)c1C[NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001483233864 1082893595 /nfs/dbraw/zinc/89/35/95/1082893595.db2.gz CYKLBSSJTDIJBG-INIZCTEOSA-N 1 3 317.477 2.382 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@H](C)[NH2+]CCc1cccs1 ZINC001409478486 1082911258 /nfs/dbraw/zinc/91/12/58/1082911258.db2.gz WYOCBNYLKCZRCN-RYUDHWBXSA-N 1 3 320.462 2.048 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)CCCF ZINC001409631256 1082992864 /nfs/dbraw/zinc/99/28/64/1082992864.db2.gz LKKKRGIJNFQTSZ-LSDHHAIUSA-N 1 3 301.450 2.045 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)CCCF ZINC001409631256 1082992869 /nfs/dbraw/zinc/99/28/69/1082992869.db2.gz LKKKRGIJNFQTSZ-LSDHHAIUSA-N 1 3 301.450 2.045 20 0 DEADHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(Cc1cc(C(C)(C)C)c[nH]1)C2 ZINC001276881880 1083662491 /nfs/dbraw/zinc/66/24/91/1083662491.db2.gz GXZJCJVDDHOLGH-QAPCUYQASA-N 1 3 318.509 2.380 20 0 DEADHO CCCCCCN1CC[C@H]2C[C@]21C(=O)NC1CC[NH+](C)CC1 ZINC001277226967 1083857125 /nfs/dbraw/zinc/85/71/25/1083857125.db2.gz YEPCMTRPWXBFLE-MAUKXSAKSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001491218583 1084163027 /nfs/dbraw/zinc/16/30/27/1084163027.db2.gz HIYMEKNGMZHUGD-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001491218583 1084163033 /nfs/dbraw/zinc/16/30/33/1084163033.db2.gz HIYMEKNGMZHUGD-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO FC1(CN2CCN[C@H](c3ccc(Cl)cc3)C2)CC[NH2+]CC1 ZINC001235790759 1084531059 /nfs/dbraw/zinc/53/10/59/1084531059.db2.gz QWFZMWAWGMWQLY-HNNXBMFYSA-N 1 3 311.832 2.378 20 0 DEADHO C[C@H](c1ccccc1)N1CCN(CC[C@H]2COC(C)(C)[NH2+]2)CC1 ZINC001235863088 1084552569 /nfs/dbraw/zinc/55/25/69/1084552569.db2.gz BXXDMYVBZDQKFK-AEFFLSMTSA-N 1 3 317.477 2.480 20 0 DEADHO c1c(CN2CC(N3CCCCC3)C2)c2cccc3c2n1CC[NH2+]C3 ZINC001235949773 1084569531 /nfs/dbraw/zinc/56/95/31/1084569531.db2.gz SSXAPVCOIHZMHH-UHFFFAOYSA-N 1 3 324.472 2.415 20 0 DEADHO [NH3+]C1CN([C@H]2CCCN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001236074146 1084604919 /nfs/dbraw/zinc/60/49/19/1084604919.db2.gz VNMRJFOLERSQPV-HNNXBMFYSA-N 1 3 313.367 2.313 20 0 DEADHO CN(CCN1CC[NH2+]CC1)Cc1c[nH]c2ccc(Cl)cc12 ZINC001236083448 1084610044 /nfs/dbraw/zinc/61/00/44/1084610044.db2.gz RCYUQXWZFUZQBR-UHFFFAOYSA-N 1 3 306.841 2.158 20 0 DEADHO C[C@@H]1[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CN1CCCC1 ZINC001486096688 1085057360 /nfs/dbraw/zinc/05/73/60/1085057360.db2.gz PCYCJEQHJRHVHG-CVEARBPZSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC2CC(C)(C)C2)C[C@H]1C ZINC001486131586 1085080147 /nfs/dbraw/zinc/08/01/47/1085080147.db2.gz WJKOBQWXTWAISS-GDBMZVCRSA-N 1 3 309.498 2.343 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C1CC[NH+](CC[C@H](C)F)CC1 ZINC001486441218 1085325296 /nfs/dbraw/zinc/32/52/96/1085325296.db2.gz MXJYQLUCVSTHRL-LSDHHAIUSA-N 1 3 315.477 2.293 20 0 DEADHO CCC[NH2+]C1CC2(CC(NC(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000965034804 1085505211 /nfs/dbraw/zinc/50/52/11/1085505211.db2.gz MWSIMOWYOOMADC-UHFFFAOYSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NC1CC2(C1)CC([NH2+]CC1CC1)C2 ZINC000965933199 1085700331 /nfs/dbraw/zinc/70/03/31/1085700331.db2.gz SDNWTWJUQIHIGE-USJUDTJWSA-N 1 3 319.493 2.286 20 0 DEADHO CC(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(C)C ZINC000961946727 1085917373 /nfs/dbraw/zinc/91/73/73/1085917373.db2.gz QHECPWRJPDPXMI-XWTMOSNGSA-N 1 3 321.509 2.342 20 0 DEADHO CC(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(C)C ZINC000961946727 1085917379 /nfs/dbraw/zinc/91/73/79/1085917379.db2.gz QHECPWRJPDPXMI-XWTMOSNGSA-N 1 3 321.509 2.342 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC2CC(C[NH2+]CC3=CCCCC3)C2)C1 ZINC000962308532 1086060848 /nfs/dbraw/zinc/06/08/48/1086060848.db2.gz HFODRDCZLWEPSH-FAEJEUNOSA-N 1 3 319.493 2.313 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]CC=C(Cl)Cl)N(C)C ZINC001273130638 1086299250 /nfs/dbraw/zinc/29/92/50/1086299250.db2.gz BJRYXMSVSSUJKO-DGCLKSJQSA-N 1 3 324.296 2.376 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@H](C)c1ccccc1F ZINC001128787263 1086386115 /nfs/dbraw/zinc/38/61/15/1086386115.db2.gz XWWWPPGRCOCVND-RHSMWYFYSA-N 1 3 321.440 2.467 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN[C@H](C)c1ccccc1F ZINC001128787263 1086386125 /nfs/dbraw/zinc/38/61/25/1086386125.db2.gz XWWWPPGRCOCVND-RHSMWYFYSA-N 1 3 321.440 2.467 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000711001256 1086693702 /nfs/dbraw/zinc/69/37/02/1086693702.db2.gz CNKJLCPFIUTHKY-LEUOFYLZSA-N 1 3 315.461 2.141 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000718081984 1087987417 /nfs/dbraw/zinc/98/74/17/1087987417.db2.gz OGECRPAMCWAZPO-HPBDAGMYSA-N 1 3 315.461 2.141 20 0 DEADHO CC[C@H](F)CN1C[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001080053065 1088584145 /nfs/dbraw/zinc/58/41/45/1088584145.db2.gz VMCBAYKMVOVJJU-IVMMDQJWSA-N 1 3 318.396 2.133 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]C/C=C/Cl ZINC001273201243 1088783661 /nfs/dbraw/zinc/78/36/61/1088783661.db2.gz BPSXVJJMFUJQEY-YESVKVCSSA-N 1 3 301.862 2.098 20 0 DEADHO CC[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CC(C)(C)C ZINC001114839412 1089025415 /nfs/dbraw/zinc/02/54/15/1089025415.db2.gz AAJRHMZDSVGGTP-LJIGWXMPSA-N 1 3 309.498 2.057 20 0 DEADHO CC[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CC(C)(C)C ZINC001114839412 1089025431 /nfs/dbraw/zinc/02/54/31/1089025431.db2.gz AAJRHMZDSVGGTP-LJIGWXMPSA-N 1 3 309.498 2.057 20 0 DEADHO C[C@@H](CC[NH+](C)C)C(=O)N(C)CCCN(C)Cc1ccco1 ZINC001412932377 1089689305 /nfs/dbraw/zinc/68/93/05/1089689305.db2.gz WKZWCUHVXIXFSD-HNNXBMFYSA-N 1 3 309.454 2.148 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCC2)C1 ZINC001082507663 1089996013 /nfs/dbraw/zinc/99/60/13/1089996013.db2.gz ZWTIEIRWNQTPMW-NXHRZFHOSA-N 1 3 321.509 2.486 20 0 DEADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C)c2)C1)N(C)C ZINC001082589349 1090012582 /nfs/dbraw/zinc/01/25/82/1090012582.db2.gz WZAIDPCSRZPQDF-KBAYOESNSA-N 1 3 317.477 2.272 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csc(C)c2)C1)N(C)C ZINC001082748565 1090056212 /nfs/dbraw/zinc/05/62/12/1090056212.db2.gz RFXHPBJJIXASKH-WQVCFCJDSA-N 1 3 323.506 2.333 20 0 DEADHO CC(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001082783308 1090077815 /nfs/dbraw/zinc/07/78/15/1090077815.db2.gz PZRDGIOHOPMPRA-BRWVUGGUSA-N 1 3 309.498 2.342 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCC2)C1 ZINC001082943390 1090109752 /nfs/dbraw/zinc/10/97/52/1090109752.db2.gz GYJRTGLIIXGJAU-OIISXLGYSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCC3CC3)C[C@H]21 ZINC001084338147 1090270020 /nfs/dbraw/zinc/27/00/20/1090270020.db2.gz GXBMFHVFBCAEJB-KZNAEPCWSA-N 1 3 319.493 2.192 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCC3CC3)C[C@H]21 ZINC001084338147 1090270028 /nfs/dbraw/zinc/27/00/28/1090270028.db2.gz GXBMFHVFBCAEJB-KZNAEPCWSA-N 1 3 319.493 2.192 20 0 DEADHO C[NH+](C)CC(C)(C)CNc1cncc([C@@H]2CN3CCC2CC3)n1 ZINC001168766525 1090662387 /nfs/dbraw/zinc/66/23/87/1090662387.db2.gz NINNHRSFRBYTOG-OAHLLOKOSA-N 1 3 317.481 2.286 20 0 DEADHO c1n[nH]cc1CN1CCC2(C1)CC[NH+](C[C@@H]1CCC=CO1)CC2 ZINC001274892578 1091466329 /nfs/dbraw/zinc/46/63/29/1091466329.db2.gz CUAIXIRJPOVMDI-KRWDZBQOSA-N 1 3 316.449 2.390 20 0 DEADHO Cc1ccc(CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001274913188 1091473563 /nfs/dbraw/zinc/47/35/63/1091473563.db2.gz KOOMGONZPWXPCM-SJLPKXTDSA-N 1 3 319.493 2.218 20 0 DEADHO Cc1cc(CN2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)cc(F)c1F ZINC001275001857 1091510595 /nfs/dbraw/zinc/51/05/95/1091510595.db2.gz MSSFRQYONOLECT-IRXDYDNUSA-N 1 3 323.431 2.483 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]C/C=C\Cl)C1 ZINC001275030838 1091520608 /nfs/dbraw/zinc/52/06/08/1091520608.db2.gz ADTRUGRHCSDVQG-MJQCEFOHSA-N 1 3 313.873 2.051 20 0 DEADHO Brc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CC13CNC3)CC2 ZINC001246442953 1091720441 /nfs/dbraw/zinc/72/04/41/1091720441.db2.gz FGVKZIHBTWOTQE-UONOGXRCSA-N 1 3 307.235 2.258 20 0 DEADHO Cc1ccc(CN2CC[C@H]3C[N@@H+](CCN(C)C)C[C@H]32)c(F)c1 ZINC001275427325 1091739075 /nfs/dbraw/zinc/73/90/75/1091739075.db2.gz MYPZWKZUGJUTRX-FUHWJXTLSA-N 1 3 305.441 2.202 20 0 DEADHO Cc1ccc(CN2CC[C@H]3C[N@H+](CCN(C)C)C[C@H]32)c(F)c1 ZINC001275427325 1091739080 /nfs/dbraw/zinc/73/90/80/1091739080.db2.gz MYPZWKZUGJUTRX-FUHWJXTLSA-N 1 3 305.441 2.202 20 0 DEADHO CN(C)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2C[C@@H]1CC=CCC1 ZINC001273517179 1091898325 /nfs/dbraw/zinc/89/83/25/1091898325.db2.gz YYXYTWKPTXFZSS-IEBWSBKVSA-N 1 3 319.493 2.361 20 0 DEADHO CN(C)CCN1C[C@]2(CC1=O)CCCC[N@H+]2C[C@@H]1CC=CCC1 ZINC001273517179 1091898329 /nfs/dbraw/zinc/89/83/29/1091898329.db2.gz YYXYTWKPTXFZSS-IEBWSBKVSA-N 1 3 319.493 2.361 20 0 DEADHO C[C@H]1CCCN1CC(=O)N(C)[C@@H]1CCC[N@H+](CC2CC2)CC1 ZINC000948775555 1091929558 /nfs/dbraw/zinc/92/95/58/1091929558.db2.gz LHTQDKHQUPLLMI-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1CCCN1CC(=O)N(C)[C@@H]1CCC[N@@H+](CC2CC2)CC1 ZINC000948775555 1091929564 /nfs/dbraw/zinc/92/95/64/1091929564.db2.gz LHTQDKHQUPLLMI-DOTOQJQBSA-N 1 3 307.482 2.194 20 0 DEADHO CC1CC(C[N@@H+]2CCC[C@@H](N(C)C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000948813227 1091949971 /nfs/dbraw/zinc/94/99/71/1091949971.db2.gz XHGLXOVDAFQWFD-VMBOVVBDSA-N 1 3 318.465 2.311 20 0 DEADHO CC1CC(C[N@H+]2CCC[C@@H](N(C)C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000948813227 1091949982 /nfs/dbraw/zinc/94/99/82/1091949982.db2.gz XHGLXOVDAFQWFD-VMBOVVBDSA-N 1 3 318.465 2.311 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCC[C@@H](N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000948811952 1091951026 /nfs/dbraw/zinc/95/10/26/1091951026.db2.gz CIYLBDUPTBDOJK-GOEBONIOSA-N 1 3 306.454 2.311 20 0 DEADHO CC[C@H](C)C[N@H+]1CCC[C@@H](N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000948811952 1091951035 /nfs/dbraw/zinc/95/10/35/1091951035.db2.gz CIYLBDUPTBDOJK-GOEBONIOSA-N 1 3 306.454 2.311 20 0 DEADHO CN(C)C(=O)CN1CCCC2(CC[NH+](Cc3ccoc3)CC2)C1 ZINC001275943484 1092359855 /nfs/dbraw/zinc/35/98/55/1092359855.db2.gz JEHDIDCFQUELQQ-UHFFFAOYSA-N 1 3 319.449 2.046 20 0 DEADHO Cc1ccc(C)c(CN2CC[C@@H]2CN(C)C(=O)CC[NH+](C)C)c1 ZINC001488652027 1092661148 /nfs/dbraw/zinc/66/11/48/1092661148.db2.gz COWTXMCCTOKFEZ-GOSISDBHSA-N 1 3 317.477 2.288 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC=C(C)C)C1 ZINC001488739325 1092717960 /nfs/dbraw/zinc/71/79/60/1092717960.db2.gz HKCLTHFRKLUZKB-IXDOHACOSA-N 1 3 307.482 2.311 20 0 DEADHO CC[C@H](C(=O)NCCC[N@H+](C)Cc1ccc(F)cc1)N(C)C ZINC001490213662 1093227646 /nfs/dbraw/zinc/22/76/46/1093227646.db2.gz LFTFCXWQXLMTPD-MRXNPFEDSA-N 1 3 309.429 2.104 20 0 DEADHO CC[C@H](C(=O)NCCC[N@@H+](C)Cc1ccc(F)cc1)N(C)C ZINC001490213662 1093227654 /nfs/dbraw/zinc/22/76/54/1093227654.db2.gz LFTFCXWQXLMTPD-MRXNPFEDSA-N 1 3 309.429 2.104 20 0 DEADHO CN(C)CCN1CC[C@]2(CCC[N@@H+](C3CCCC3)CC2)C1=O ZINC001274025746 1093772087 /nfs/dbraw/zinc/77/20/87/1093772087.db2.gz VQCKPYRHELDMGO-GOSISDBHSA-N 1 3 307.482 2.195 20 0 DEADHO CN(C)CCN1CC[C@]2(CCC[N@H+](C3CCCC3)CC2)C1=O ZINC001274025746 1093772093 /nfs/dbraw/zinc/77/20/93/1093772093.db2.gz VQCKPYRHELDMGO-GOSISDBHSA-N 1 3 307.482 2.195 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2)[C@@H]1C ZINC001369385022 1148917706 /nfs/dbraw/zinc/91/77/06/1148917706.db2.gz AHGFIMHKRCOSHF-FUHWJXTLSA-N 1 3 317.477 2.416 20 0 DEADHO CC[C@H](F)C[N@H+](CCCNC(=O)[C@H]1CCCN1C)C(C)C ZINC001691744648 1138279939 /nfs/dbraw/zinc/27/99/39/1138279939.db2.gz ZAQRASZUJCPNCD-LSDHHAIUSA-N 1 3 301.450 2.045 20 0 DEADHO CC[C@H](F)C[N@@H+](CCCNC(=O)[C@H]1CCCN1C)C(C)C ZINC001691744648 1138279946 /nfs/dbraw/zinc/27/99/46/1138279946.db2.gz ZAQRASZUJCPNCD-LSDHHAIUSA-N 1 3 301.450 2.045 20 0 DEADHO Nc1cccc2c1CCN(Cc1cccc(N3CC[NH2+]CC3)c1)C2 ZINC001236364260 1138356748 /nfs/dbraw/zinc/35/67/48/1138356748.db2.gz VVZIHHHZRMCJLE-UHFFFAOYSA-N 1 3 322.456 2.237 20 0 DEADHO COC(=O)[C@H]1C[N@H+](Cc2ccc(C)c3ccccc23)CC[C@@H]1N ZINC001236411252 1138359363 /nfs/dbraw/zinc/35/93/63/1138359363.db2.gz MJDLOHOZCQJDAI-ROUUACIJSA-N 1 3 312.413 2.470 20 0 DEADHO COC(=O)[C@H]1C[N@@H+](Cc2ccc(C)c3ccccc23)CC[C@@H]1N ZINC001236411252 1138359367 /nfs/dbraw/zinc/35/93/67/1138359367.db2.gz MJDLOHOZCQJDAI-ROUUACIJSA-N 1 3 312.413 2.470 20 0 DEADHO NCCC[NH2+]CCCNC(=O)Nc1cccc2ccccc21 ZINC001239253064 1139004806 /nfs/dbraw/zinc/00/48/06/1139004806.db2.gz MQNOFORTXKBYDH-UHFFFAOYSA-N 1 3 300.406 2.290 20 0 DEADHO NCCC[NH2+]CCCNC(=O)Nc1ccc(Cl)cc1Cl ZINC001239253299 1139004951 /nfs/dbraw/zinc/00/49/51/1139004951.db2.gz XGXBCJGJLOSVDN-UHFFFAOYSA-N 1 3 319.236 2.443 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC001278308766 1139262547 /nfs/dbraw/zinc/26/25/47/1139262547.db2.gz QFYMELSBVSOLNA-DLBZAZTESA-N 1 3 307.482 2.264 20 0 DEADHO CN1CCN(C2(c3ccc(-c4cc(C[NH3+])ccn4)cc3)CC2)CC1 ZINC001240569040 1139427138 /nfs/dbraw/zinc/42/71/38/1139427138.db2.gz USANPQLXBVLFPM-UHFFFAOYSA-N 1 3 322.456 2.444 20 0 DEADHO CC1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CCC2CC2)CC1 ZINC001319119932 1140508361 /nfs/dbraw/zinc/50/83/61/1140508361.db2.gz ZFZNOEFOQUDMDI-QGZVFWFLSA-N 1 3 307.482 2.099 20 0 DEADHO CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001319534542 1140611508 /nfs/dbraw/zinc/61/15/08/1140611508.db2.gz QAAHAPPXMISEBM-WMLDXEAASA-N 1 3 315.477 2.436 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@@H]1CC[NH2+]CC1CCC1)N(C)C ZINC001319789116 1140715364 /nfs/dbraw/zinc/71/53/64/1140715364.db2.gz XLXJWOZFMSXHEK-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[C@H](CC)COC[C@H](O)CNC[C@H]1C[NH2+]C[C@H](C)C1 ZINC001245987084 1140842143 /nfs/dbraw/zinc/84/21/43/1140842143.db2.gz BDWLEMJRXOVJOX-XMTFNYHQSA-N 1 3 314.514 2.416 20 0 DEADHO CCCC[C@H](CC)COCCC[NH2+]C[C@@]1(O)CCCNC1 ZINC001245991953 1140843248 /nfs/dbraw/zinc/84/32/48/1140843248.db2.gz WVQMHNRGSLJMOG-DLBZAZTESA-N 1 3 300.487 2.314 20 0 DEADHO C[C@H]1C[C@@H](NCCN2CCC(Cc3ccccc3)CC2)C[NH2+]1 ZINC001246091604 1140860399 /nfs/dbraw/zinc/86/03/99/1140860399.db2.gz FPHIITNFOYFKAO-QFBILLFUSA-N 1 3 301.478 2.281 20 0 DEADHO O[C@@]1(CN[C@H]2CCc3c(Cl)cccc3C2)CCCC[NH2+]C1 ZINC001246094912 1140860433 /nfs/dbraw/zinc/86/04/33/1140860433.db2.gz GWLRUVFLCSJNHU-YOEHRIQHSA-N 1 3 308.853 2.292 20 0 DEADHO O[C@@]1(C[NH2+][C@H]2CCc3c(Cl)cccc3C2)CCCCNC1 ZINC001246094912 1140860434 /nfs/dbraw/zinc/86/04/34/1140860434.db2.gz GWLRUVFLCSJNHU-YOEHRIQHSA-N 1 3 308.853 2.292 20 0 DEADHO CC(C)C[C@@H](Cc1ccccc1)[NH2+][C@@H]1[C@H]2CNC[C@@H]1COC2 ZINC001246144906 1140866113 /nfs/dbraw/zinc/86/61/13/1140866113.db2.gz BWMKPJAMPHNIMJ-ZSYWTGECSA-N 1 3 302.462 2.468 20 0 DEADHO C[C@H]1C[C@H]([NH2+]C2CCC3(CCC(=O)N3CC3CC3)CC2)CCN1 ZINC001246157195 1140867666 /nfs/dbraw/zinc/86/76/66/1140867666.db2.gz OLWCKACXEAHQGL-WAZRQNRBSA-N 1 3 319.493 2.430 20 0 DEADHO C[C@@H]1CC[C@@H](NC[C@H]2CCC(=O)N(Cc3ccccc3)C2)C[NH2+]1 ZINC001246326790 1140884317 /nfs/dbraw/zinc/88/43/17/1140884317.db2.gz HJXIRGKFCJLJLP-KBAYOESNSA-N 1 3 315.461 2.155 20 0 DEADHO Fc1ccc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCOCC2)nc1 ZINC001246384130 1140891828 /nfs/dbraw/zinc/89/18/28/1140891828.db2.gz ACEQQSPRWCEHNL-XYPWUTKMSA-N 1 3 319.424 2.142 20 0 DEADHO Cc1ccnc(C2(CN[C@H]3CC[NH2+][C@@H](C)C3)CCOCC2)c1 ZINC001246389567 1140893031 /nfs/dbraw/zinc/89/30/31/1140893031.db2.gz OAYBGNXHDPVZOA-HOTGVXAUSA-N 1 3 303.450 2.168 20 0 DEADHO Cc1ccnc(C2(C[NH2+][C@H]3CCN[C@@H](C)C3)CCOCC2)c1 ZINC001246389567 1140893036 /nfs/dbraw/zinc/89/30/36/1140893036.db2.gz OAYBGNXHDPVZOA-HOTGVXAUSA-N 1 3 303.450 2.168 20 0 DEADHO NC(=O)[C@@H](N)CCCC[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246420704 1140896776 /nfs/dbraw/zinc/89/67/76/1140896776.db2.gz YTTYEWHUZCCDNB-IKGGRYGDSA-N 1 3 303.450 2.285 20 0 DEADHO [NH3+]C[C@@H](NC1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC001246508649 1140930987 /nfs/dbraw/zinc/93/09/87/1140930987.db2.gz WNEGJKDHYGKNLO-LJQANCHMSA-N 1 3 310.445 2.336 20 0 DEADHO COc1cc(C[C@@H](C)N2C[C@H](C)[C@H](C[NH3+])C2)cc(OC)c1OC ZINC001246544810 1140949952 /nfs/dbraw/zinc/94/99/52/1140949952.db2.gz ZLNVIYMZOLRSTC-GZBFAFLISA-N 1 3 322.449 2.170 20 0 DEADHO C[C@@H]1C[C@H](N2C[C@H]([NH3+])CC(F)(F)C2)CN1Cc1ccccc1 ZINC001246585451 1140987772 /nfs/dbraw/zinc/98/77/72/1140987772.db2.gz KRMGMOYGHNWRQA-BMFZPTHFSA-N 1 3 309.404 2.318 20 0 DEADHO C[C@@H](Cc1ccc(Cl)cc1)N1CCNC2(CC[NH2+]CC2)C1 ZINC001246601538 1140998930 /nfs/dbraw/zinc/99/89/30/1140998930.db2.gz KADUYOQOOIIARL-AWEZNQCLSA-N 1 3 307.869 2.298 20 0 DEADHO Cc1ccc(CC[C@H](C)N2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001246616870 1141005285 /nfs/dbraw/zinc/00/52/85/1141005285.db2.gz FWPPJNCGORQAFC-WDSOQIARSA-N 1 3 301.478 2.342 20 0 DEADHO CCCCCC[C@@H](CC)[N@@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246622962 1141008680 /nfs/dbraw/zinc/00/86/80/1141008680.db2.gz AROJBACHKFFWMJ-CRAIPNDOSA-N 1 3 307.482 2.147 20 0 DEADHO CCCCCC[C@@H](CC)[N@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246622962 1141008690 /nfs/dbraw/zinc/00/86/90/1141008690.db2.gz AROJBACHKFFWMJ-CRAIPNDOSA-N 1 3 307.482 2.147 20 0 DEADHO Cc1ccc2c(c1)C[C@H](N1CC[NH2+]C[C@]3(CCCCN3)C1)CC2 ZINC001246637103 1141016205 /nfs/dbraw/zinc/01/62/05/1141016205.db2.gz XTUPRVVIPYBBKT-WOJBJXKFSA-N 1 3 313.489 2.270 20 0 DEADHO c1cc(COC[C@@]23CCC[C@@H]2C[N@@H+](C2CCNCC2)C3)ccn1 ZINC001246740981 1141048777 /nfs/dbraw/zinc/04/87/77/1141048777.db2.gz WEHOGUOMVZOQRF-MJGOQNOKSA-N 1 3 315.461 2.452 20 0 DEADHO c1cc(COC[C@@]23CCC[C@@H]2C[N@H+](C2CCNCC2)C3)ccn1 ZINC001246740981 1141048786 /nfs/dbraw/zinc/04/87/86/1141048786.db2.gz WEHOGUOMVZOQRF-MJGOQNOKSA-N 1 3 315.461 2.452 20 0 DEADHO O=C1C[C@]2(CCN(C3CC[NH2+]CC3)C2)CN1c1cccc(F)c1 ZINC001246753223 1141051909 /nfs/dbraw/zinc/05/19/09/1141051909.db2.gz CEPCZVKLPCNIBD-SFHVURJKSA-N 1 3 317.408 2.007 20 0 DEADHO O=C1C[C@]2(CC[N@@H+](C3CCNCC3)C2)CN1c1cccc(F)c1 ZINC001246753223 1141051914 /nfs/dbraw/zinc/05/19/14/1141051914.db2.gz CEPCZVKLPCNIBD-SFHVURJKSA-N 1 3 317.408 2.007 20 0 DEADHO O=C1C[C@]2(CC[N@H+](C3CCNCC3)C2)CN1c1cccc(F)c1 ZINC001246753223 1141051925 /nfs/dbraw/zinc/05/19/25/1141051925.db2.gz CEPCZVKLPCNIBD-SFHVURJKSA-N 1 3 317.408 2.007 20 0 DEADHO Brc1cccc([C@@H]2CN(C3CC[NH2+]CC3)CCN2)c1 ZINC001246806428 1141067899 /nfs/dbraw/zinc/06/78/99/1141067899.db2.gz NJHOXKJRANXVRC-HNNXBMFYSA-N 1 3 324.266 2.147 20 0 DEADHO Cc1cc(F)ccc1[C@@H]1C[C@H](N2CC[C@@H](F)[C@H](N)C2)CC[NH2+]1 ZINC001246839614 1141080495 /nfs/dbraw/zinc/08/04/95/1141080495.db2.gz YOPRFXFUFNCSFA-DZUCGIPZSA-N 1 3 309.404 2.298 20 0 DEADHO CN(CCC[NH2+]Cc1cccc(Cl)c1)C(=O)[C@H]1CCCN1C ZINC001322648546 1141665590 /nfs/dbraw/zinc/66/55/90/1141665590.db2.gz NSUXNFJCTIKVIX-MRXNPFEDSA-N 1 3 323.868 2.372 20 0 DEADHO CC[C@H](C(=O)N(C)CCC[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001322792236 1141717343 /nfs/dbraw/zinc/71/73/43/1141717343.db2.gz IVNIPCQCPSBTDI-QGZVFWFLSA-N 1 3 323.456 2.412 20 0 DEADHO COC(=O)c1cccc(CN(C)CC2CC[NH+](C)CC2)c1OC ZINC001248906042 1141832825 /nfs/dbraw/zinc/83/28/25/1141832825.db2.gz ZVYSAZJVUIMJSN-UHFFFAOYSA-N 1 3 320.433 2.255 20 0 DEADHO CCCCC[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001323872159 1141895041 /nfs/dbraw/zinc/89/50/41/1141895041.db2.gz HPUHPVNYYGVEFQ-SFHVURJKSA-N 1 3 309.498 2.443 20 0 DEADHO CCCCC[N@H+]1CC[C@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001323872159 1141895042 /nfs/dbraw/zinc/89/50/42/1141895042.db2.gz HPUHPVNYYGVEFQ-SFHVURJKSA-N 1 3 309.498 2.443 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CCF)C1 ZINC001278555838 1142095257 /nfs/dbraw/zinc/09/52/57/1142095257.db2.gz GKDJTGVVVPNOJH-NVXWUHKLSA-N 1 3 313.461 2.047 20 0 DEADHO CC/C=C\CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001278608062 1142338764 /nfs/dbraw/zinc/33/87/64/1142338764.db2.gz IYSUZASVUBEKPD-KSLSASGISA-N 1 3 318.465 2.491 20 0 DEADHO CC1CCN(CCC[NH2+]C[C@@H](O)COc2ccccc2)CC1 ZINC001251231566 1142399805 /nfs/dbraw/zinc/39/98/05/1142399805.db2.gz UHOKINGRPGWEDV-QGZVFWFLSA-N 1 3 306.450 2.138 20 0 DEADHO CCCCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC001278671743 1142763480 /nfs/dbraw/zinc/76/34/80/1142763480.db2.gz BGURJKDTKZRHKQ-OAHLLOKOSA-N 1 3 306.454 2.359 20 0 DEADHO CC(C)(C)[C@@H](O)C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001253747462 1142905705 /nfs/dbraw/zinc/90/57/05/1142905705.db2.gz OOEWNXFJSKAJPV-KRWDZBQOSA-N 1 3 305.466 2.290 20 0 DEADHO C[N@@H+]1CCC[C@@H](N[C@H]2CCC(=O)N[C@H]2c2ccccc2)CC1 ZINC001254508725 1143153317 /nfs/dbraw/zinc/15/33/17/1143153317.db2.gz LCSAVYZRTLLZFS-RYRKJORJSA-N 1 3 301.434 2.080 20 0 DEADHO C[N@H+]1CCC[C@@H](N[C@H]2CCC(=O)N[C@H]2c2ccccc2)CC1 ZINC001254508725 1143153325 /nfs/dbraw/zinc/15/33/25/1143153325.db2.gz LCSAVYZRTLLZFS-RYRKJORJSA-N 1 3 301.434 2.080 20 0 DEADHO CN1CCC[C@H]([NH2+]Cc2cccc(N3CCCNC3=O)c2)CC1 ZINC001254512864 1143165774 /nfs/dbraw/zinc/16/57/74/1143165774.db2.gz STBUXMLUTWESEP-INIZCTEOSA-N 1 3 316.449 2.180 20 0 DEADHO C[N@@H+]1CCC[C@H](N2CCN(CCc3cccs3)CC2)CC1 ZINC001254522182 1143204094 /nfs/dbraw/zinc/20/40/94/1143204094.db2.gz DLKLWKDPSNWPOU-INIZCTEOSA-N 1 3 307.507 2.393 20 0 DEADHO C[N@H+]1CCC[C@H](N2CCN(CCc3cccs3)CC2)CC1 ZINC001254522182 1143204131 /nfs/dbraw/zinc/20/41/31/1143204131.db2.gz DLKLWKDPSNWPOU-INIZCTEOSA-N 1 3 307.507 2.393 20 0 DEADHO Cc1nccnc1O[C@@H]1CCC[N@@H+]([C@@H]2CCCN(C)CC2)C1 ZINC001254532079 1143229700 /nfs/dbraw/zinc/22/97/00/1143229700.db2.gz OSVGPTNEEGCBBR-HZPDHXFCSA-N 1 3 304.438 2.113 20 0 DEADHO Cc1nccnc1O[C@@H]1CCC[N@H+]([C@@H]2CCCN(C)CC2)C1 ZINC001254532079 1143229732 /nfs/dbraw/zinc/22/97/32/1143229732.db2.gz OSVGPTNEEGCBBR-HZPDHXFCSA-N 1 3 304.438 2.113 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2c(s1)CNCC2 ZINC001340020544 1143237061 /nfs/dbraw/zinc/23/70/61/1143237061.db2.gz QRFGYFQISIOZGV-CYBMUJFWSA-N 1 3 321.490 2.388 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc2c(s1)CNCC2 ZINC001340020544 1143237084 /nfs/dbraw/zinc/23/70/84/1143237084.db2.gz QRFGYFQISIOZGV-CYBMUJFWSA-N 1 3 321.490 2.388 20 0 DEADHO CC(C)(C)[C@H]([NH3+])CC(=O)NCCCN1CCc2ccccc2C1 ZINC001340040421 1143243288 /nfs/dbraw/zinc/24/32/88/1143243288.db2.gz BECBKDYLGKVHAL-QGZVFWFLSA-N 1 3 317.477 2.315 20 0 DEADHO c1cn(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nn1 ZINC001255124009 1143432226 /nfs/dbraw/zinc/43/22/26/1143432226.db2.gz ZBVURIWZGGOBMK-BCDXTJNWSA-N 1 3 311.433 2.063 20 0 DEADHO c1cn(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nn1 ZINC001255124009 1143432233 /nfs/dbraw/zinc/43/22/33/1143432233.db2.gz ZBVURIWZGGOBMK-BCDXTJNWSA-N 1 3 311.433 2.063 20 0 DEADHO NC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001255137643 1143436848 /nfs/dbraw/zinc/43/68/48/1143436848.db2.gz VJGZFKVBRBILKU-MHORFTMASA-N 1 3 313.445 2.132 20 0 DEADHO NC(=O)[C@@H]1CCC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001255137643 1143436859 /nfs/dbraw/zinc/43/68/59/1143436859.db2.gz VJGZFKVBRBILKU-MHORFTMASA-N 1 3 313.445 2.132 20 0 DEADHO Cc1cc([C@H]([NH3+])CC(=O)N2[C@H](C)CN[C@H](C)[C@@H]2C)cc(Cl)n1 ZINC001341031736 1143527997 /nfs/dbraw/zinc/52/79/97/1143527997.db2.gz XBHGGXPSFFSXDI-NRWUCQMLSA-N 1 3 324.856 2.031 20 0 DEADHO COCc1cccc([C@@H](CO)[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)c1 ZINC001255676468 1143801210 /nfs/dbraw/zinc/80/12/10/1143801210.db2.gz MZDFLMYTDUMNQO-XVLXNVKGSA-N 1 3 318.461 2.471 20 0 DEADHO CCN(CC)CC[C@@H](C)[NH2+]C1CCN(C(=O)N2CCCC2)CC1 ZINC001255943898 1143815937 /nfs/dbraw/zinc/81/59/37/1143815937.db2.gz QSKNHYNFCFVMIW-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO CC[NH+](CC)CC[C@H](C)N[C@@H]1CCN(Cc2ccccn2)C1 ZINC001255953792 1143816703 /nfs/dbraw/zinc/81/67/03/1143816703.db2.gz OSQOZIJNPVRFKI-FUHWJXTLSA-N 1 3 304.482 2.366 20 0 DEADHO C[C@H]1CCCCN1CCC[NH2+]C1CCN(c2ncccn2)CC1 ZINC001256046627 1143824936 /nfs/dbraw/zinc/82/49/36/1143824936.db2.gz ODRZJBCFQIPOCU-INIZCTEOSA-N 1 3 317.481 2.300 20 0 DEADHO CC(=O)N1CCCCC12CCN(C1CC[NH+](C3CC3)CC1)CC2 ZINC001256078052 1143828250 /nfs/dbraw/zinc/82/82/50/1143828250.db2.gz SZFDKIKXFUWWFT-UHFFFAOYSA-N 1 3 319.493 2.480 20 0 DEADHO CCCC[NH+](CCCC)CCCNC1CCS(=O)(=O)CC1 ZINC001256376739 1143845410 /nfs/dbraw/zinc/84/54/10/1143845410.db2.gz ASLFUDBYPRMIFP-UHFFFAOYSA-N 1 3 318.527 2.446 20 0 DEADHO c1ccc(C[NH+]2CCC(NCCN3CCCCO3)CC2)cc1 ZINC001256596191 1143856646 /nfs/dbraw/zinc/85/66/46/1143856646.db2.gz ZGNMBJYHRAZAPM-UHFFFAOYSA-N 1 3 303.450 2.268 20 0 DEADHO CN(CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C)C(=O)OC(C)(C)C ZINC001256620845 1143857831 /nfs/dbraw/zinc/85/78/31/1143857831.db2.gz FGSFQRODFYZAMP-YIONKMFJSA-N 1 3 311.470 2.410 20 0 DEADHO CN(CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C)C(=O)OC(C)(C)C ZINC001256620845 1143857832 /nfs/dbraw/zinc/85/78/32/1143857832.db2.gz FGSFQRODFYZAMP-YIONKMFJSA-N 1 3 311.470 2.410 20 0 DEADHO COc1ccccc1CC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256676664 1143861463 /nfs/dbraw/zinc/86/14/63/1143861463.db2.gz TXFAYSBOHKHECU-UHFFFAOYSA-N 1 3 318.461 2.471 20 0 DEADHO OC[C@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1cccc(F)c1 ZINC001256682561 1143861811 /nfs/dbraw/zinc/86/18/11/1143861811.db2.gz LSFWTESIPMUXRN-ABHNRTSZSA-N 1 3 322.424 2.092 20 0 DEADHO [NH3+]Cc1nn(C2CCC(N3CCOCC3)CC2)c2ccccc12 ZINC001256679139 1143861815 /nfs/dbraw/zinc/86/18/15/1143861815.db2.gz FJPRBHRKIHCLGL-UHFFFAOYSA-N 1 3 314.433 2.311 20 0 DEADHO c1cnc2c(c1)CC[C@H]2[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256683069 1143861964 /nfs/dbraw/zinc/86/19/64/1143861964.db2.gz QUALUNBQWROETC-OFLPRAFFSA-N 1 3 301.434 2.302 20 0 DEADHO OCCC1CCC([NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256684348 1143861977 /nfs/dbraw/zinc/86/19/77/1143861977.db2.gz QDGQBCRUPOWGSG-UHFFFAOYSA-N 1 3 310.482 2.161 20 0 DEADHO OCC[N@H+](Cc1ccccc1)C1CCC(N2CCOCC2)CC1 ZINC001256688775 1143862380 /nfs/dbraw/zinc/86/23/80/1143862380.db2.gz KEJGIHGFFMPBMN-UHFFFAOYSA-N 1 3 318.461 2.124 20 0 DEADHO OCC[N@@H+](Cc1ccccc1)C1CCC(N2CCOCC2)CC1 ZINC001256688775 1143862381 /nfs/dbraw/zinc/86/23/81/1143862381.db2.gz KEJGIHGFFMPBMN-UHFFFAOYSA-N 1 3 318.461 2.124 20 0 DEADHO CC[N@H+](CCN1CCCC1)C1CCC(N2CCOCC2)CC1 ZINC001256695241 1143863270 /nfs/dbraw/zinc/86/32/70/1143863270.db2.gz RVLLNKHKMDYZLI-UHFFFAOYSA-N 1 3 309.498 2.048 20 0 DEADHO CC[N@@H+](CCN1CCCC1)C1CCC(N2CCOCC2)CC1 ZINC001256695241 1143863271 /nfs/dbraw/zinc/86/32/71/1143863271.db2.gz RVLLNKHKMDYZLI-UHFFFAOYSA-N 1 3 309.498 2.048 20 0 DEADHO O=C(C1CCC1)N1CC[C@H](N[C@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256906875 1143874412 /nfs/dbraw/zinc/87/44/12/1143874412.db2.gz FAHFBOCVSIVWGS-IRXDYDNUSA-N 1 3 319.493 2.384 20 0 DEADHO O=C(C1CCC1)N1CC[C@H](N[C@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256906875 1143874413 /nfs/dbraw/zinc/87/44/13/1143874413.db2.gz FAHFBOCVSIVWGS-IRXDYDNUSA-N 1 3 319.493 2.384 20 0 DEADHO CCN1CCC2(CCN(C3CC[NH+](C(C)C)CC3)CC2)C1=O ZINC001257224374 1143894848 /nfs/dbraw/zinc/89/48/48/1143894848.db2.gz ZOQQPHDREBUEOU-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO CC[C@@H](C)[NH2+][C@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001257427496 1143912756 /nfs/dbraw/zinc/91/27/56/1143912756.db2.gz KNTOLWLFQHBPPE-WBVHZDCISA-N 1 3 317.477 2.190 20 0 DEADHO CC(C)CN1CCC([NH2+][C@H]2CCN(C(=O)C3CCC3)C2)CC1 ZINC001258008190 1143964812 /nfs/dbraw/zinc/96/48/12/1143964812.db2.gz JXDANCVPRYADMF-KRWDZBQOSA-N 1 3 307.482 2.097 20 0 DEADHO O[C@H]1CCN(C2CC[NH+](CCc3ccccc3)CC2)CC[C@H]1F ZINC001258140877 1143977444 /nfs/dbraw/zinc/97/74/44/1143977444.db2.gz MGBUDKCDMFLRRO-MOPGFXCFSA-N 1 3 320.452 2.488 20 0 DEADHO CN1CC[C@H]([N@H+](C)C2CCN(CCc3ccccc3)CC2)C1 ZINC001258142916 1143978201 /nfs/dbraw/zinc/97/82/01/1143978201.db2.gz DDXJXMKBUJBARQ-IBGZPJMESA-N 1 3 301.478 2.329 20 0 DEADHO CN1CC[C@H]([N@@H+](C)C2CCN(CCc3ccccc3)CC2)C1 ZINC001258142916 1143978205 /nfs/dbraw/zinc/97/82/05/1143978205.db2.gz DDXJXMKBUJBARQ-IBGZPJMESA-N 1 3 301.478 2.329 20 0 DEADHO COc1ccccc1C[C@@H](C)[NH2+]CCN1CCN(C(C)C)CC1 ZINC001258881059 1144050161 /nfs/dbraw/zinc/05/01/61/1144050161.db2.gz NBWAFFDHANOHEH-QGZVFWFLSA-N 1 3 319.493 2.242 20 0 DEADHO CCC[NH+]1CCC(NC[C@H](O)COCc2ccccc2)CC1 ZINC000378903576 1144365861 /nfs/dbraw/zinc/36/58/61/1144365861.db2.gz JEDUUYGVPHJUIH-SFHVURJKSA-N 1 3 306.450 2.028 20 0 DEADHO CN(C[C@H]1CCN1CC1=CCCCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001263817172 1144399309 /nfs/dbraw/zinc/39/93/09/1144399309.db2.gz PHLHMJSORQAWBG-ZWKOTPCHSA-N 1 3 319.493 2.361 20 0 DEADHO CN(C[C@H]1CCN1CC1=CCCCC1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001263817172 1144399313 /nfs/dbraw/zinc/39/93/13/1144399313.db2.gz PHLHMJSORQAWBG-ZWKOTPCHSA-N 1 3 319.493 2.361 20 0 DEADHO C[N@H+](CCCCCF)C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001264185890 1144501047 /nfs/dbraw/zinc/50/10/47/1144501047.db2.gz NICZDGHRUJWSCA-INIZCTEOSA-N 1 3 324.444 2.405 20 0 DEADHO C[N@@H+](CCCCCF)C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001264185890 1144501048 /nfs/dbraw/zinc/50/10/48/1144501048.db2.gz NICZDGHRUJWSCA-INIZCTEOSA-N 1 3 324.444 2.405 20 0 DEADHO Cc1ccc(F)cc1C[N@@H+](C)CCCNC(=O)[C@H]1CCCN1C ZINC001264970368 1144614605 /nfs/dbraw/zinc/61/46/05/1144614605.db2.gz JEJNSRZLTKUOMS-QGZVFWFLSA-N 1 3 321.440 2.166 20 0 DEADHO Cc1ccc(F)cc1C[N@H+](C)CCCNC(=O)[C@H]1CCCN1C ZINC001264970368 1144614608 /nfs/dbraw/zinc/61/46/08/1144614608.db2.gz JEJNSRZLTKUOMS-QGZVFWFLSA-N 1 3 321.440 2.166 20 0 DEADHO CC(C)CCC[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001281410095 1144887781 /nfs/dbraw/zinc/88/77/81/1144887781.db2.gz WICUWAMYPRROJD-CVEARBPZSA-N 1 3 309.498 2.343 20 0 DEADHO CCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001282874473 1145184693 /nfs/dbraw/zinc/18/46/93/1145184693.db2.gz FMLXWILOBLGOOC-OSYLJGHBSA-N 1 3 321.509 2.345 20 0 DEADHO CCCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001282874473 1145184699 /nfs/dbraw/zinc/18/46/99/1145184699.db2.gz FMLXWILOBLGOOC-OSYLJGHBSA-N 1 3 321.509 2.345 20 0 DEADHO CC[NH+](CC)CC[C@H](C)NC(=O)N1CCN(C2CCCC2)CC1 ZINC001364347066 1145186946 /nfs/dbraw/zinc/18/69/46/1145186946.db2.gz DTCUEGVMGINTHE-INIZCTEOSA-N 1 3 324.513 2.377 20 0 DEADHO CC1CC[NH+](CC[C@H]2CCCN2C(=O)CN2CCCC2)CC1 ZINC001364469923 1145276430 /nfs/dbraw/zinc/27/64/30/1145276430.db2.gz YAFXZXLTCKFADL-QGZVFWFLSA-N 1 3 307.482 2.195 20 0 DEADHO OC1(CN2CCC([N@@H+]3CCCOCC3)CC2)CCCCCC1 ZINC001364488004 1145293195 /nfs/dbraw/zinc/29/31/95/1145293195.db2.gz YOZWFZSKKMMKQS-UHFFFAOYSA-N 1 3 310.482 2.258 20 0 DEADHO OC1(CN2CCC([N@H+]3CCCOCC3)CC2)CCCCCC1 ZINC001364488004 1145293203 /nfs/dbraw/zinc/29/32/03/1145293203.db2.gz YOZWFZSKKMMKQS-UHFFFAOYSA-N 1 3 310.482 2.258 20 0 DEADHO CC1(N2CCC2)CC[NH+](C[C@H]2CCC[C@]3(CCOC3)O2)CC1 ZINC001364786383 1145565938 /nfs/dbraw/zinc/56/59/38/1145565938.db2.gz PLRKBPAVMULVKZ-SJLPKXTDSA-N 1 3 308.466 2.275 20 0 DEADHO CC[NH+]1CCC(CN(CCO)Cc2ccccc2OC)CC1 ZINC001364924416 1145678457 /nfs/dbraw/zinc/67/84/57/1145678457.db2.gz RQKDSTTXDAPTGI-UHFFFAOYSA-N 1 3 306.450 2.221 20 0 DEADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(O[C@@H]4CCOC4)cc3)[C@@H]2C1 ZINC001364930283 1145687087 /nfs/dbraw/zinc/68/70/87/1145687087.db2.gz HMPOTECPNSEZAQ-AITUJVMLSA-N 1 3 316.445 2.284 20 0 DEADHO COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]C[C@H]3CCCN(CC4CC4)C3)[C@H]2C1 ZINC001364982769 1145730082 /nfs/dbraw/zinc/73/00/82/1145730082.db2.gz FRYOGAOJBYXFQG-DZVNLGKHSA-N 1 3 320.477 2.286 20 0 DEADHO CCCC[N@H+](C)CCNC(=O)N1CCN(C(C)(C)CC)CC1 ZINC001365328826 1145848374 /nfs/dbraw/zinc/84/83/74/1145848374.db2.gz KFRIIKYLWFSVGZ-UHFFFAOYSA-N 1 3 312.502 2.234 20 0 DEADHO CCCC[N@@H+](C)CCNC(=O)N1CCN(C(C)(C)CC)CC1 ZINC001365328826 1145848375 /nfs/dbraw/zinc/84/83/75/1145848375.db2.gz KFRIIKYLWFSVGZ-UHFFFAOYSA-N 1 3 312.502 2.234 20 0 DEADHO CC/C=C\CC[N@H+]1CC=C(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001284957478 1145993332 /nfs/dbraw/zinc/99/33/32/1145993332.db2.gz KQHCNTBHKQUWGI-CHYADLBTSA-N 1 3 319.493 2.433 20 0 DEADHO CC/C=C\CC[N@@H+]1CC=C(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001284957478 1145993351 /nfs/dbraw/zinc/99/33/51/1145993351.db2.gz KQHCNTBHKQUWGI-CHYADLBTSA-N 1 3 319.493 2.433 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@H+](CC2CC2)CC(C)(C)C1 ZINC001365905029 1146056597 /nfs/dbraw/zinc/05/65/97/1146056597.db2.gz HXUNPUMAJMFPTE-INIZCTEOSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1 ZINC001365905029 1146056603 /nfs/dbraw/zinc/05/66/03/1146056603.db2.gz HXUNPUMAJMFPTE-INIZCTEOSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CCC2CCCC2)C1)N(C)C ZINC001491834453 1146908590 /nfs/dbraw/zinc/90/85/90/1146908590.db2.gz HJKJXNPNBBDJGL-SJORKVTESA-N 1 3 309.498 2.345 20 0 DEADHO C[NH+](C)CCCC(=O)N[C@@H]1CCCN(CCc2cccs2)C1 ZINC001365939986 1146928136 /nfs/dbraw/zinc/92/81/36/1146928136.db2.gz NFBLWFFREAMYCA-OAHLLOKOSA-N 1 3 323.506 2.213 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CC12CC[NH+](CC1CCC1)CC2 ZINC001366019746 1147010833 /nfs/dbraw/zinc/01/08/33/1147010833.db2.gz RENVSZJSEQTIIU-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H]([NH2+]CCC(C)(C)C)C1CC1)N(C)C ZINC001366029651 1147017554 /nfs/dbraw/zinc/01/75/54/1147017554.db2.gz BAVQQDSWKUWQGM-HOTGVXAUSA-N 1 3 311.514 2.493 20 0 DEADHO CCc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H](CC)N(C)C)C2)c1 ZINC001366163331 1147086275 /nfs/dbraw/zinc/08/62/75/1147086275.db2.gz SBZDWRQTYWTKEP-FGTMMUONSA-N 1 3 317.477 2.326 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001492322094 1147213489 /nfs/dbraw/zinc/21/34/89/1147213489.db2.gz ZSAUMPTZUBSAIF-UHFFFAOYSA-N 1 3 315.461 2.171 20 0 DEADHO C[C@@H](CCNC(=O)C(C)(C)N1CCCCC1)[NH2+]C/C=C\Cl ZINC001366465132 1147295989 /nfs/dbraw/zinc/29/59/89/1147295989.db2.gz QUSHNBLKFLKNOZ-LEJCZOIISA-N 1 3 315.889 2.488 20 0 DEADHO Cc1ccccc1CN(C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001366562084 1147355527 /nfs/dbraw/zinc/35/55/27/1147355527.db2.gz BFTOVTCMOUQAAP-IRXDYDNUSA-N 1 3 317.477 2.273 20 0 DEADHO Cc1ccccc1CN(C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001366562084 1147355531 /nfs/dbraw/zinc/35/55/31/1147355531.db2.gz BFTOVTCMOUQAAP-IRXDYDNUSA-N 1 3 317.477 2.273 20 0 DEADHO CCCN(C)CC(=O)NCC[N@H+](C)[C@H]1CCCc2ccccc21 ZINC001366583536 1147372331 /nfs/dbraw/zinc/37/23/31/1147372331.db2.gz KGTHFEFHZZVBFC-SFHVURJKSA-N 1 3 317.477 2.454 20 0 DEADHO CCCN(C)CC(=O)NCC[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC001366583536 1147372335 /nfs/dbraw/zinc/37/23/35/1147372335.db2.gz KGTHFEFHZZVBFC-SFHVURJKSA-N 1 3 317.477 2.454 20 0 DEADHO Cc1ccc(CN(C)CCNC(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC001366584366 1147373462 /nfs/dbraw/zinc/37/34/62/1147373462.db2.gz MUJVHNNVAYKBQD-KRWDZBQOSA-N 1 3 305.466 2.129 20 0 DEADHO CC[N@H+](CCNC(=O)CN(C)C(C)C)CC1CC2(CCC2)C1 ZINC001366643838 1147432254 /nfs/dbraw/zinc/43/22/54/1147432254.db2.gz IYXLJBXMGYJOJF-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CC[N@@H+](CCNC(=O)CN(C)C(C)C)CC1CC2(CCC2)C1 ZINC001366643838 1147432258 /nfs/dbraw/zinc/43/22/58/1147432258.db2.gz IYXLJBXMGYJOJF-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1cn(C)nc1CNCCc1ccc(OCC[NH+](C)C)cc1 ZINC001308258375 1147461150 /nfs/dbraw/zinc/46/11/50/1147461150.db2.gz BTLNKNHNSRQFRN-UHFFFAOYSA-N 1 3 316.449 2.001 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCCN1Cc1csc(C)c1 ZINC001366676774 1147473363 /nfs/dbraw/zinc/47/33/63/1147473363.db2.gz WHRFTQHOWNCEIH-MRXNPFEDSA-N 1 3 323.506 2.479 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCCN1Cc1csc(C)c1 ZINC001366676774 1147473367 /nfs/dbraw/zinc/47/33/67/1147473367.db2.gz WHRFTQHOWNCEIH-MRXNPFEDSA-N 1 3 323.506 2.479 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[N@H+](CC2CC(C)(C)C2)C2CC2)C1 ZINC001366753056 1147540710 /nfs/dbraw/zinc/54/07/10/1147540710.db2.gz YHWIAEAMDMAYME-OAHLLOKOSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[N@@H+](CC2CC(C)(C)C2)C2CC2)C1 ZINC001366753056 1147540715 /nfs/dbraw/zinc/54/07/15/1147540715.db2.gz YHWIAEAMDMAYME-OAHLLOKOSA-N 1 3 321.509 2.345 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001366849290 1147593821 /nfs/dbraw/zinc/59/38/21/1147593821.db2.gz GDTLOTOFNRJVCU-SJORKVTESA-N 1 3 307.482 2.099 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001366849290 1147593824 /nfs/dbraw/zinc/59/38/24/1147593824.db2.gz GDTLOTOFNRJVCU-SJORKVTESA-N 1 3 307.482 2.099 20 0 DEADHO CC[C@@H](C(=O)NCC1C[NH+](CC2CCC(C)CC2)C1)N(C)C ZINC001366980592 1147628127 /nfs/dbraw/zinc/62/81/27/1147628127.db2.gz BEHIFXLYVVIDEZ-DQPZFDDXSA-N 1 3 309.498 2.201 20 0 DEADHO Cc1cccc([C@@H](C)[NH+]2CC(CNC(=O)CN(C)C(C)C)C2)c1 ZINC001366993649 1147629704 /nfs/dbraw/zinc/62/97/04/1147629704.db2.gz VLKGDXJBVAPJAM-MRXNPFEDSA-N 1 3 317.477 2.444 20 0 DEADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCC(C)(C)C)C1 ZINC001366997459 1147630482 /nfs/dbraw/zinc/63/04/82/1147630482.db2.gz FJVIZKJKGLLIAG-PMPSAXMXSA-N 1 3 307.482 2.050 20 0 DEADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCC(C)(C)C)C1 ZINC001366997459 1147630484 /nfs/dbraw/zinc/63/04/84/1147630484.db2.gz FJVIZKJKGLLIAG-PMPSAXMXSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc1cc(C)ccc1F)N(C)C ZINC001367107510 1147650771 /nfs/dbraw/zinc/65/07/71/1147650771.db2.gz UUERVMXYCWHLSU-DOTOQJQBSA-N 1 3 323.456 2.459 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+]CC[C@H](C)F ZINC001317197352 1147674719 /nfs/dbraw/zinc/67/47/19/1147674719.db2.gz SLBMGQAKPURMEX-LSDHHAIUSA-N 1 3 301.450 2.047 20 0 DEADHO C[C@@H](C[NH2+]CC1CC2(CCC2)C1)N(C)C(=O)CN(C)C1CCC1 ZINC001367355564 1147683293 /nfs/dbraw/zinc/68/32/93/1147683293.db2.gz FHRCQUXSZPRDKI-HNNXBMFYSA-N 1 3 321.509 2.488 20 0 DEADHO CCc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001367374214 1147685641 /nfs/dbraw/zinc/68/56/41/1147685641.db2.gz ITPARWLPRCVOKL-MAUKXSAKSA-N 1 3 317.477 2.280 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCC2CCCC2)C1 ZINC001317313312 1147689584 /nfs/dbraw/zinc/68/95/84/1147689584.db2.gz PELICWRSEWEQSG-ROUUACIJSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001367676224 1147725713 /nfs/dbraw/zinc/72/57/13/1147725713.db2.gz ONLGWIARIWMXBC-ZIAGYGMSSA-N 1 3 321.440 2.465 20 0 DEADHO C[C@H](C[N@H+](C)CCc1cccs1)NC(=O)CN1CC[C@H](C)C1 ZINC001367834650 1147756366 /nfs/dbraw/zinc/75/63/66/1147756366.db2.gz NRCMFDTZKCYJBF-LSDHHAIUSA-N 1 3 323.506 2.069 20 0 DEADHO C[C@H](C[N@@H+](C)CCc1cccs1)NC(=O)CN1CC[C@H](C)C1 ZINC001367834650 1147756367 /nfs/dbraw/zinc/75/63/67/1147756367.db2.gz NRCMFDTZKCYJBF-LSDHHAIUSA-N 1 3 323.506 2.069 20 0 DEADHO C[C@@H](C[N@H+](C)CC1CC1)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001367834872 1147756464 /nfs/dbraw/zinc/75/64/64/1147756464.db2.gz OBQTWENNPUAARA-GUYCJALGSA-N 1 3 313.461 2.045 20 0 DEADHO C[C@@H](C[N@@H+](C)CC1CC1)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001367834872 1147756466 /nfs/dbraw/zinc/75/64/66/1147756466.db2.gz OBQTWENNPUAARA-GUYCJALGSA-N 1 3 313.461 2.045 20 0 DEADHO CC[N@H+](C)CCC(=O)NCC1(N[C@@H](C)c2cccc(F)c2)CC1 ZINC001368029867 1147835183 /nfs/dbraw/zinc/83/51/83/1147835183.db2.gz ASVAKHMKODAPPY-AWEZNQCLSA-N 1 3 321.440 2.467 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCC1(N[C@@H](C)c2cccc(F)c2)CC1 ZINC001368029867 1147835184 /nfs/dbraw/zinc/83/51/84/1147835184.db2.gz ASVAKHMKODAPPY-AWEZNQCLSA-N 1 3 321.440 2.467 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)C2CCC2)C1 ZINC001368189857 1148316265 /nfs/dbraw/zinc/31/62/65/1148316265.db2.gz MTVWLSCHCDAXPB-CRAIPNDOSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@]1(C)CCC[N@@H+](CC[C@@H](C)F)C1 ZINC001368234438 1148348573 /nfs/dbraw/zinc/34/85/73/1148348573.db2.gz XVXMDGWSLIWKLT-DYVFJYSZSA-N 1 3 324.444 2.227 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@]1(C)CCC[N@H+](CC[C@@H](C)F)C1 ZINC001368234438 1148348579 /nfs/dbraw/zinc/34/85/79/1148348579.db2.gz XVXMDGWSLIWKLT-DYVFJYSZSA-N 1 3 324.444 2.227 20 0 DEADHO C[C@H]1C[C@H](NC(=O)C2CCN(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000278301222 214077116 /nfs/dbraw/zinc/07/71/16/214077116.db2.gz RZFVRZAMLQCQGI-MAUKXSAKSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H](NC(C)(C)CNC(=O)N[C@]1(C)CC[NH2+]C1)c1ccccc1 ZINC000612881463 361939416 /nfs/dbraw/zinc/93/94/16/361939416.db2.gz TYEVYANBFUIEQH-RDTXWAMCSA-N 1 3 318.465 2.167 20 0 DEADHO CN(C)[C@@H](CNC(=O)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1 ZINC000459774372 282171237 /nfs/dbraw/zinc/17/12/37/282171237.db2.gz JBHDOCPSVHRNQN-OWSLCNJRSA-N 1 3 315.461 2.184 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000174321269 282192710 /nfs/dbraw/zinc/19/27/10/282192710.db2.gz IHUBHQTZJYNNGC-QGZVFWFLSA-N 1 3 315.461 2.306 20 0 DEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000090038848 185279172 /nfs/dbraw/zinc/27/91/72/185279172.db2.gz RZGMFTPBPDOSGK-JQHSSLGASA-N 1 3 315.461 2.256 20 0 DEADHO CN(C)[C@H](CNC(=O)N[C@H](C[NH3+])C1CCCC1)c1ccccc1 ZINC000416814594 282243301 /nfs/dbraw/zinc/24/33/01/282243301.db2.gz VPNMZPOJISQLPT-IAGOWNOFSA-N 1 3 318.465 2.106 20 0 DEADHO CCc1nc(CN2CCC(C[NH2+][C@@H]3CCC[C@H]3N)CC2)cs1 ZINC000422914762 529736043 /nfs/dbraw/zinc/73/60/43/529736043.db2.gz VVTGFLCFOMZSBL-HZPDHXFCSA-N 1 3 322.522 2.387 20 0 DEADHO CN(CCN1CC[NH2+]CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000071148809 539346732 /nfs/dbraw/zinc/34/67/32/539346732.db2.gz HCXRTHXUFQGZHQ-UHFFFAOYSA-N 1 3 301.356 2.042 20 0 DEADHO C[C@H](NC(=O)N1CCNC(C)(C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000418188465 299108028 /nfs/dbraw/zinc/10/80/28/299108028.db2.gz UMKGYVQBTSCVBP-HOCLYGCPSA-N 1 3 318.465 2.071 20 0 DEADHO C[NH2+]CCCNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000417735111 529968694 /nfs/dbraw/zinc/96/86/94/529968694.db2.gz KXJOBLRPXIULQZ-UKRRQHHQSA-N 1 3 324.494 2.040 20 0 DEADHO CSC[C@H](O)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000614557904 362407564 /nfs/dbraw/zinc/40/75/64/362407564.db2.gz FDOAWRSIXBOXDJ-MRXNPFEDSA-N 1 3 300.512 2.298 20 0 DEADHO NC[C@@H](NC(=O)CC1CC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000193416818 282350334 /nfs/dbraw/zinc/35/03/34/282350334.db2.gz RRXJCHGWDKWXLN-GOSISDBHSA-N 1 3 311.429 2.346 20 0 DEADHO C[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1)N1CCCCCC1 ZINC000615617540 362660414 /nfs/dbraw/zinc/66/04/14/362660414.db2.gz ZUVOKJLBYVFKRE-FUHWJXTLSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@@H](C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1)N1CCCCCC1 ZINC000615617540 362660417 /nfs/dbraw/zinc/66/04/17/362660417.db2.gz ZUVOKJLBYVFKRE-FUHWJXTLSA-N 1 3 307.482 2.195 20 0 DEADHO CCCNC(=O)CCN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340193315 535049833 /nfs/dbraw/zinc/04/98/33/535049833.db2.gz YSLKBYWHSQRUGM-IRXDYDNUSA-N 1 3 303.450 2.328 20 0 DEADHO CCCNC(=O)CCN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340193315 535049835 /nfs/dbraw/zinc/04/98/35/535049835.db2.gz YSLKBYWHSQRUGM-IRXDYDNUSA-N 1 3 303.450 2.328 20 0 DEADHO CC(C)[NH+](CCN(C)C(=O)N[C@H]1CCN(C)[C@@H](C)C1)C(C)C ZINC000355947582 535059522 /nfs/dbraw/zinc/05/95/22/535059522.db2.gz RDTMHLPDTHNGAM-HOTGVXAUSA-N 1 3 312.502 2.229 20 0 DEADHO CCC(CC)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCOCC1 ZINC000166105308 539608937 /nfs/dbraw/zinc/60/89/37/539608937.db2.gz BLOUNJCAONVUAY-OTWHNJEPSA-N 1 3 323.525 2.340 20 0 DEADHO CCC(CC)[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCOCC1 ZINC000166105308 539608941 /nfs/dbraw/zinc/60/89/41/539608941.db2.gz BLOUNJCAONVUAY-OTWHNJEPSA-N 1 3 323.525 2.340 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000167790595 539612313 /nfs/dbraw/zinc/61/23/13/539612313.db2.gz KZHHQXXISDJBQX-OLMNPRSZSA-N 1 3 315.461 2.456 20 0 DEADHO CN(c1ccccc1CN[C@H]1CCOC1)C1CC[NH+](C)CC1 ZINC000181992176 539654284 /nfs/dbraw/zinc/65/42/84/539654284.db2.gz IYEHEQCNRGSDTI-INIZCTEOSA-N 1 3 303.450 2.096 20 0 DEADHO CN1CCCN(CCC[NH2+]C/C=C\c2ccc(F)cc2)CC1 ZINC000255024131 539786109 /nfs/dbraw/zinc/78/61/09/539786109.db2.gz DBCAXCPDNWGRDB-DJWKRKHSSA-N 1 3 305.441 2.456 20 0 DEADHO [NH3+][C@H]1CCC[C@@H](NC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000275839811 539805466 /nfs/dbraw/zinc/80/54/66/539805466.db2.gz ZNGHOVHSICOPNQ-ZWKOTPCHSA-N 1 3 315.461 2.285 20 0 DEADHO C(CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1nnc2n1CCCCC2 ZINC000339067212 539985545 /nfs/dbraw/zinc/98/55/45/539985545.db2.gz FKUALAXMLBUQQT-CVEARBPZSA-N 1 3 317.481 2.154 20 0 DEADHO C(CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1nnc2n1CCCCC2 ZINC000339067212 539985548 /nfs/dbraw/zinc/98/55/48/539985548.db2.gz FKUALAXMLBUQQT-CVEARBPZSA-N 1 3 317.481 2.154 20 0 DEADHO C[C@H](NCCOCC[NH+](C)C)c1ccnn1-c1ccccc1 ZINC000343452592 540006922 /nfs/dbraw/zinc/00/69/22/540006922.db2.gz IPDSWAMLCMXLLO-HNNXBMFYSA-N 1 3 302.422 2.101 20 0 DEADHO C[C@H](CCNC(=O)C1CCN(Cc2ccccc2)CC1)[NH+](C)C ZINC000617751236 363251011 /nfs/dbraw/zinc/25/10/11/363251011.db2.gz USMYLVLEAZOYMQ-MRXNPFEDSA-N 1 3 317.477 2.355 20 0 DEADHO CN(C)[C@H]1CCC[N@H+](CCC(=O)Nc2cc(N)ccc2F)CC1 ZINC000277050551 213264539 /nfs/dbraw/zinc/26/45/39/213264539.db2.gz CJHZGWPGKOLVFA-AWEZNQCLSA-N 1 3 322.428 2.153 20 0 DEADHO CN(C)[C@H]1CCC[N@@H+](CCC(=O)Nc2cc(N)ccc2F)CC1 ZINC000277050551 213264541 /nfs/dbraw/zinc/26/45/41/213264541.db2.gz CJHZGWPGKOLVFA-AWEZNQCLSA-N 1 3 322.428 2.153 20 0 DEADHO CCC[NH+]1CCC(NC(=O)[C@@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000236776058 202003001 /nfs/dbraw/zinc/00/30/01/202003001.db2.gz NAXANTIGPNFGJZ-WMLDXEAASA-N 1 3 303.450 2.313 20 0 DEADHO CCCN(C(=O)NC[C@@H](N)c1ccccc1CC)[C@H]1CC[NH2+]C1 ZINC000418644387 283004329 /nfs/dbraw/zinc/00/43/29/283004329.db2.gz CCPJCTFXXLRQJC-DOTOQJQBSA-N 1 3 318.465 2.032 20 0 DEADHO CCCN(C(=O)NC[C@H](c1ccccc1)N(C)C)[C@@H]1CC[NH2+]C1 ZINC000416800728 283005494 /nfs/dbraw/zinc/00/54/94/283005494.db2.gz GAFZNZONUVGUOR-IAGOWNOFSA-N 1 3 318.465 2.073 20 0 DEADHO C[C@H](CCN1CCC[C@@](C)(O)CC1)[N@@H+]1CCC[C@](C)(O)CC1 ZINC000348379194 540022170 /nfs/dbraw/zinc/02/21/70/540022170.db2.gz UJQSSZHIZKOZOC-KURKYZTESA-N 1 3 312.498 2.239 20 0 DEADHO C[C@H](CCN1CCC[C@@](C)(O)CC1)[N@H+]1CCC[C@](C)(O)CC1 ZINC000348379194 540022171 /nfs/dbraw/zinc/02/21/71/540022171.db2.gz UJQSSZHIZKOZOC-KURKYZTESA-N 1 3 312.498 2.239 20 0 DEADHO C[C@H](CC[N@@H+]1CCC[C@@](C)(O)CC1)N1CCC[C@](C)(O)CC1 ZINC000348379194 540022172 /nfs/dbraw/zinc/02/21/72/540022172.db2.gz UJQSSZHIZKOZOC-KURKYZTESA-N 1 3 312.498 2.239 20 0 DEADHO C[C@H](CC[N@H+]1CCC[C@@](C)(O)CC1)N1CCC[C@](C)(O)CC1 ZINC000348379194 540022173 /nfs/dbraw/zinc/02/21/73/540022173.db2.gz UJQSSZHIZKOZOC-KURKYZTESA-N 1 3 312.498 2.239 20 0 DEADHO CC(C)(C)[N@@H+]1CCCN(C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000057610870 354574935 /nfs/dbraw/zinc/57/49/35/354574935.db2.gz XIQZIRBBVGMCCO-UHFFFAOYSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)(C)[N@H+]1CCCN(C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000057610870 354574938 /nfs/dbraw/zinc/57/49/38/354574938.db2.gz XIQZIRBBVGMCCO-UHFFFAOYSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)(CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1)N1CCCCC1 ZINC000066174972 354703193 /nfs/dbraw/zinc/70/31/93/354703193.db2.gz TXPDFHIZOHPVHC-INIZCTEOSA-N 1 3 322.497 2.131 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCC(C)C ZINC000073427019 191315284 /nfs/dbraw/zinc/31/52/84/191315284.db2.gz ZXQBZQQZICFPLT-INIZCTEOSA-N 1 3 312.502 2.090 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCC(C)C ZINC000073427019 191315287 /nfs/dbraw/zinc/31/52/87/191315287.db2.gz ZXQBZQQZICFPLT-INIZCTEOSA-N 1 3 312.502 2.090 20 0 DEADHO [NH3+]Cc1cccnc1NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000332566478 235115636 /nfs/dbraw/zinc/11/56/36/235115636.db2.gz XOCYCMAFGLSXMU-UHFFFAOYSA-N 1 3 317.437 2.023 20 0 DEADHO CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC1CC1 ZINC000076747916 355166638 /nfs/dbraw/zinc/16/66/38/355166638.db2.gz SCGFVQCGBRTXAT-UHFFFAOYSA-N 1 3 315.461 2.240 20 0 DEADHO C[C@@H](NC1CC1)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382713806 540124234 /nfs/dbraw/zinc/12/42/34/540124234.db2.gz YBVVSNHGIVNXCQ-NVXWUHKLSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H](NC1CC1)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382713806 540124238 /nfs/dbraw/zinc/12/42/38/540124238.db2.gz YBVVSNHGIVNXCQ-NVXWUHKLSA-N 1 3 315.461 2.107 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)C(F)(F)F ZINC000079886192 355334566 /nfs/dbraw/zinc/33/45/66/355334566.db2.gz ADIJYCHEMFEYDC-CHWSQXEVSA-N 1 3 323.403 2.059 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)C(F)(F)F ZINC000079886192 355334563 /nfs/dbraw/zinc/33/45/63/355334563.db2.gz ADIJYCHEMFEYDC-CHWSQXEVSA-N 1 3 323.403 2.059 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2c2ccccc2)C1 ZINC000414740975 540156624 /nfs/dbraw/zinc/15/66/24/540156624.db2.gz RNLJWFAOVWPGKH-FUHWJXTLSA-N 1 3 315.461 2.411 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2c2ccccc2)C1 ZINC000414740975 540156626 /nfs/dbraw/zinc/15/66/26/540156626.db2.gz RNLJWFAOVWPGKH-FUHWJXTLSA-N 1 3 315.461 2.411 20 0 DEADHO CN(C)CCOc1cccc(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000414873847 540156821 /nfs/dbraw/zinc/15/68/21/540156821.db2.gz ABWASRKZLRTQOA-UONOGXRCSA-N 1 3 320.437 2.018 20 0 DEADHO C[NH2+]CCN(C)C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000418044438 540169690 /nfs/dbraw/zinc/16/96/90/540169690.db2.gz ZZHSHFCWQOVOCS-KRWDZBQOSA-N 1 3 320.481 2.004 20 0 DEADHO C[C@H](NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[C@H](c1ccccc1)N(C)C ZINC000418178466 540170009 /nfs/dbraw/zinc/17/00/09/540170009.db2.gz IWFANHGSBKYGSI-QMCVQRASSA-N 1 3 318.465 2.247 20 0 DEADHO CCNC(=O)N1CC[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000090411212 355561591 /nfs/dbraw/zinc/56/15/91/355561591.db2.gz GFEARPXYBOUZMF-INIZCTEOSA-N 1 3 322.497 2.177 20 0 DEADHO CCC[C@H]1[C@H](C)CCCN1CC(=O)NC1CC[NH+](CC)CC1 ZINC000089131479 355520776 /nfs/dbraw/zinc/52/07/76/355520776.db2.gz UOJRWGVLWRMEIY-WBVHZDCISA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000417977126 540169258 /nfs/dbraw/zinc/16/92/58/540169258.db2.gz GSQKLMJEVMQBKC-OIISXLGYSA-N 1 3 318.465 2.076 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000417977124 540169266 /nfs/dbraw/zinc/16/92/66/540169266.db2.gz GSQKLMJEVMQBKC-DJIMGWMZSA-N 1 3 318.465 2.076 20 0 DEADHO CCOC[C@H](O)C[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821271 355652452 /nfs/dbraw/zinc/65/24/52/355652452.db2.gz IQVLMKJZBRKQRT-GOSISDBHSA-N 1 3 321.465 2.017 20 0 DEADHO CCOC[C@H](O)C[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821271 355652454 /nfs/dbraw/zinc/65/24/54/355652454.db2.gz IQVLMKJZBRKQRT-GOSISDBHSA-N 1 3 321.465 2.017 20 0 DEADHO CN1CCN(CC[NH2+][C@H]2CCc3ccc(F)cc32)CC1(C)C ZINC000442875324 540183531 /nfs/dbraw/zinc/18/35/31/540183531.db2.gz NYVACWXDZNRUEA-KRWDZBQOSA-N 1 3 305.441 2.429 20 0 DEADHO C[C@H](C(=O)N(C1CC1)C1CC[NH2+]CC1)[C@H](N)c1ccccc1 ZINC000370787243 283135402 /nfs/dbraw/zinc/13/54/02/283135402.db2.gz MXFYPPZVXJJMNY-GUYCJALGSA-N 1 3 301.434 2.066 20 0 DEADHO C[C@H](CCNC(=O)NCCN1CCC(C)CC1)[NH+]1CCCCC1 ZINC000184834016 356197977 /nfs/dbraw/zinc/19/79/77/356197977.db2.gz BVCVKAQVKKKLBW-QGZVFWFLSA-N 1 3 324.513 2.282 20 0 DEADHO CC(C)[NH2+]CCC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000316139198 356427542 /nfs/dbraw/zinc/42/75/42/356427542.db2.gz QFXCFVWTVOSIIW-QGZVFWFLSA-N 1 3 303.450 2.328 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1)N(C)C ZINC000618353819 363469583 /nfs/dbraw/zinc/46/95/83/363469583.db2.gz OAGRDYOHYIVNJY-QZTJIDSGSA-N 1 3 317.477 2.102 20 0 DEADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1)N(C)C ZINC000618353819 363469585 /nfs/dbraw/zinc/46/95/85/363469585.db2.gz OAGRDYOHYIVNJY-QZTJIDSGSA-N 1 3 317.477 2.102 20 0 DEADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H](CN)c1ccccc1 ZINC000236854873 202039085 /nfs/dbraw/zinc/03/90/85/202039085.db2.gz HDBCPAWKMFTMFJ-WBVHZDCISA-N 1 3 305.466 2.356 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCCN1)Cc1ccccc1 ZINC000236884485 202052088 /nfs/dbraw/zinc/05/20/88/202052088.db2.gz YFMXWGKMEJXJDG-ZWKOTPCHSA-N 1 3 317.477 2.198 20 0 DEADHO CC[NH2+]CCNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000236944114 202085169 /nfs/dbraw/zinc/08/51/69/202085169.db2.gz SXGYKDSIKMPARG-INIZCTEOSA-N 1 3 317.477 2.055 20 0 DEADHO C[C@H](CC(=O)N(C)[C@@H](C)C1CCN(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000423768373 283198257 /nfs/dbraw/zinc/19/82/57/283198257.db2.gz XDCPOWNCHCFDKR-HLLBOEOZSA-N 1 3 309.498 2.201 20 0 DEADHO CCCN(CCC[NH+](C)C)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000344990453 283220585 /nfs/dbraw/zinc/22/05/85/283220585.db2.gz PFUIJBAHNQECOC-OAHLLOKOSA-N 1 3 310.486 2.010 20 0 DEADHO CN(C)CCOc1ccc(NC(=O)CCC2CC[NH2+]CC2)cc1 ZINC000237196708 202185023 /nfs/dbraw/zinc/18/50/23/202185023.db2.gz AIEWBMMSBQWIND-UHFFFAOYSA-N 1 3 319.449 2.345 20 0 DEADHO CCN1CCN(CCCC[NH2+]Cc2ccc(OC)cc2F)CC1 ZINC000578241875 356786143 /nfs/dbraw/zinc/78/61/43/356786143.db2.gz YBSRKIZZRFYTLY-UHFFFAOYSA-N 1 3 323.456 2.342 20 0 DEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000578984912 356901862 /nfs/dbraw/zinc/90/18/62/356901862.db2.gz NCZKJNDLYWNTSG-MELADBBJSA-N 1 3 324.494 2.310 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000579731484 357024976 /nfs/dbraw/zinc/02/49/76/357024976.db2.gz ZZCAXJVUHGPYJD-FUHWJXTLSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000579731484 357024982 /nfs/dbraw/zinc/02/49/82/357024982.db2.gz ZZCAXJVUHGPYJD-FUHWJXTLSA-N 1 3 315.461 2.061 20 0 DEADHO O=C(Nc1ccc2c(c1)CNCC2)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000579929644 357053700 /nfs/dbraw/zinc/05/37/00/357053700.db2.gz OYWARQXQKCQBQT-QGZVFWFLSA-N 1 3 314.433 2.034 20 0 DEADHO COc1ccc([C@H]2C[C@H](N[C@@H]3CCOC[C@H]3[C@H](C)[NH3+])C2)cc1F ZINC000580827814 357085576 /nfs/dbraw/zinc/08/55/76/357085576.db2.gz QVGDAQIFIFFXKW-KDUQRTNCSA-N 1 3 322.424 2.422 20 0 DEADHO COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@H](C)N)C2)cc1F ZINC000580827814 357085579 /nfs/dbraw/zinc/08/55/79/357085579.db2.gz QVGDAQIFIFFXKW-KDUQRTNCSA-N 1 3 322.424 2.422 20 0 DEADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)C(C)(C)C[NH3+] ZINC000580894449 357098268 /nfs/dbraw/zinc/09/82/68/357098268.db2.gz CZUFHLBFZHUQTM-UHFFFAOYSA-N 1 3 321.490 2.467 20 0 DEADHO CC[C@@H](C)N[C@@H](CNC(=O)NCC1CC[NH2+]CC1)c1ccco1 ZINC000581715947 357235795 /nfs/dbraw/zinc/23/57/95/357235795.db2.gz NEDCLXPWJAMAPG-HIFRSBDPSA-N 1 3 322.453 2.008 20 0 DEADHO C[C@@H]1CN(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CCN(C2CCC2)C1 ZINC000581993150 357280916 /nfs/dbraw/zinc/28/09/16/357280916.db2.gz RKNOXCXWVJVOKY-HRCADAONSA-N 1 3 322.497 2.020 20 0 DEADHO COc1cc2c(cc1CNCC[C@H]1CCC[NH2+]C1)O[C@@H](C)C2 ZINC000584826380 357316407 /nfs/dbraw/zinc/31/64/07/357316407.db2.gz LCWLXYWBHOHLMD-UONOGXRCSA-N 1 3 304.434 2.498 20 0 DEADHO C[C@@H](N)C[NH2+][C@H](C)c1ccc(I)cc1 ZINC000591580603 357738226 /nfs/dbraw/zinc/73/82/26/357738226.db2.gz AJYNTQOBYQOSOI-RKDXNWHRSA-N 1 3 304.175 2.289 20 0 DEADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000661405489 540320134 /nfs/dbraw/zinc/32/01/34/540320134.db2.gz DXPFYJYIKHGUGF-HOTGVXAUSA-N 1 3 324.513 2.279 20 0 DEADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000662685972 540332846 /nfs/dbraw/zinc/33/28/46/540332846.db2.gz JKBZHKKIPBGJSV-HOTGVXAUSA-N 1 3 319.449 2.310 20 0 DEADHO CCCN1CC[C@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000666928835 540365175 /nfs/dbraw/zinc/36/51/75/540365175.db2.gz UWCQZGPQUAJHSO-INIZCTEOSA-N 1 3 322.497 2.131 20 0 DEADHO COc1ccccc1-n1nccc1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000666955534 540369858 /nfs/dbraw/zinc/36/98/58/540369858.db2.gz XBCZHAKUUUBSDP-QGZVFWFLSA-N 1 3 312.417 2.113 20 0 DEADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000237370028 202246805 /nfs/dbraw/zinc/24/68/05/202246805.db2.gz PFAJJIKLUZXTBT-QAPCUYQASA-N 1 3 315.461 2.482 20 0 DEADHO C[C@H](CNC(=O)CCC1CC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000237390833 202253515 /nfs/dbraw/zinc/25/35/15/202253515.db2.gz RUUBBIFZSWSBIP-MRXNPFEDSA-N 1 3 317.477 2.403 20 0 DEADHO Cn1cccc1CNCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000180989428 199237075 /nfs/dbraw/zinc/23/70/75/199237075.db2.gz DFMSFDXRSOLVPC-IBGZPJMESA-N 1 3 313.445 2.272 20 0 DEADHO Cn1cccc1CNCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000180989428 199237077 /nfs/dbraw/zinc/23/70/77/199237077.db2.gz DFMSFDXRSOLVPC-IBGZPJMESA-N 1 3 313.445 2.272 20 0 DEADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CO[C@H](C3CC3)C2)[C@H](C)C1 ZINC000667862353 540541547 /nfs/dbraw/zinc/54/15/47/540541547.db2.gz SNQIFYDNWDZEJS-UBDQQSCGSA-N 1 3 310.482 2.281 20 0 DEADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CO[C@H](C3CC3)C2)[C@H](C)C1 ZINC000667862353 540541550 /nfs/dbraw/zinc/54/15/50/540541550.db2.gz SNQIFYDNWDZEJS-UBDQQSCGSA-N 1 3 310.482 2.281 20 0 DEADHO CN1CCC(C[NH2+][C@H]2CO[C@H](C3CC3)C2)(N2CCCCC2)CC1 ZINC000667880667 540544051 /nfs/dbraw/zinc/54/40/51/540544051.db2.gz XUOZQUWYIYPWDX-MSOLQXFVSA-N 1 3 321.509 2.094 20 0 DEADHO C[C@]1(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC[NH2+]C1 ZINC000237565921 202285833 /nfs/dbraw/zinc/28/58/33/202285833.db2.gz XBXOBUVJZWVDSB-MJGOQNOKSA-N 1 3 315.461 2.157 20 0 DEADHO C[C@@]1(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CCC[NH2+]C1 ZINC000237589415 202295418 /nfs/dbraw/zinc/29/54/18/202295418.db2.gz ZRJBSINTNINQSB-IEBWSBKVSA-N 1 3 315.461 2.157 20 0 DEADHO CC(C)OC1CC([NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)C1 ZINC000668490012 540672460 /nfs/dbraw/zinc/67/24/60/540672460.db2.gz PNJNYIUVNLLIRR-JLAWEPINSA-N 1 3 318.461 2.299 20 0 DEADHO [NH3+][C@@H](CC(=O)N1CCN(C2CCCC2)CC1)c1ccccc1 ZINC000237874918 202375393 /nfs/dbraw/zinc/37/53/93/202375393.db2.gz NGNCLKJFCBTDGT-KRWDZBQOSA-N 1 3 301.434 2.163 20 0 DEADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000601283679 359993251 /nfs/dbraw/zinc/99/32/51/359993251.db2.gz HPQBILSEKPZZJV-SJORKVTESA-N 1 3 324.513 2.279 20 0 DEADHO C[C@@H]([NH3+])CNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000668644786 540703172 /nfs/dbraw/zinc/70/31/72/540703172.db2.gz XVWKLXAZTHMKID-ZIAGYGMSSA-N 1 3 324.494 2.168 20 0 DEADHO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443065319 238101125 /nfs/dbraw/zinc/10/11/25/238101125.db2.gz ZORGBSNYNOWHQE-ZACQAIPSSA-N 1 3 317.477 2.356 20 0 DEADHO [NH3+]CC[C@@H]1CCCN([C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000443061936 238101230 /nfs/dbraw/zinc/10/12/30/238101230.db2.gz SNMKJIWHWVLKCR-WMLDXEAASA-N 1 3 301.434 2.067 20 0 DEADHO CC[C@H]1CN(C(=O)NCc2cccc(CN(C)C)c2)CC[C@H]1[NH3+] ZINC000669386817 540823584 /nfs/dbraw/zinc/82/35/84/540823584.db2.gz XYQYUKOUWHEPOW-DLBZAZTESA-N 1 3 318.465 2.017 20 0 DEADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CCN(Cc2ccccc2)CC1 ZINC000603477977 360836182 /nfs/dbraw/zinc/83/61/82/360836182.db2.gz FEJZIZFSFCHMSZ-QGZVFWFLSA-N 1 3 315.461 2.061 20 0 DEADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CCN(Cc2ccccc2)CC1 ZINC000603477977 360836189 /nfs/dbraw/zinc/83/61/89/360836189.db2.gz FEJZIZFSFCHMSZ-QGZVFWFLSA-N 1 3 315.461 2.061 20 0 DEADHO CC(C)(C(=O)Nc1cnc2c(c1)CNCC2)[C@@H]([NH3+])c1ccccc1 ZINC000669513404 540849574 /nfs/dbraw/zinc/84/95/74/540849574.db2.gz KQDSVNMRDHDOPA-KRWDZBQOSA-N 1 3 324.428 2.392 20 0 DEADHO C[C@@H](C[NH3+])CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669484020 540841896 /nfs/dbraw/zinc/84/18/96/540841896.db2.gz YUVHFVQVYRDIAU-DOTOQJQBSA-N 1 3 318.465 2.108 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000669529918 540854277 /nfs/dbraw/zinc/85/42/77/540854277.db2.gz IYCNWAOMDPCAPF-IAGOWNOFSA-N 1 3 322.497 2.034 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CCC[NH2+]CC1)c1ccco1 ZINC000669584192 540869245 /nfs/dbraw/zinc/86/92/45/540869245.db2.gz ZDLIFDVTCJJKQJ-SOUVJXGZSA-N 1 3 322.453 2.150 20 0 DEADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(CN(C)C)cc1 ZINC000605520625 360975259 /nfs/dbraw/zinc/97/52/59/360975259.db2.gz NBTBZJWJGQHTBG-KRWDZBQOSA-N 1 3 303.450 2.352 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000605989030 360992114 /nfs/dbraw/zinc/99/21/14/360992114.db2.gz WHBBALFSEMCUKU-IRXDYDNUSA-N 1 3 324.513 2.423 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1ccco1 ZINC000607638958 361099938 /nfs/dbraw/zinc/09/99/38/361099938.db2.gz HHLKVPLVLHEOFK-HOTGVXAUSA-N 1 3 321.465 2.258 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1ccco1 ZINC000607638958 361099941 /nfs/dbraw/zinc/09/99/41/361099941.db2.gz HHLKVPLVLHEOFK-HOTGVXAUSA-N 1 3 321.465 2.258 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)c1ccco1 ZINC000607638955 361100264 /nfs/dbraw/zinc/10/02/64/361100264.db2.gz HHLKVPLVLHEOFK-CVEARBPZSA-N 1 3 321.465 2.258 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)c1ccco1 ZINC000607638955 361100268 /nfs/dbraw/zinc/10/02/68/361100268.db2.gz HHLKVPLVLHEOFK-CVEARBPZSA-N 1 3 321.465 2.258 20 0 DEADHO CCC[C@@H](C)NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000608616573 361240670 /nfs/dbraw/zinc/24/06/70/361240670.db2.gz YEJWWULFNVMYEH-HZPDHXFCSA-N 1 3 312.502 2.233 20 0 DEADHO CCC[C@@H](C)NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000608616573 361240676 /nfs/dbraw/zinc/24/06/76/361240676.db2.gz YEJWWULFNVMYEH-HZPDHXFCSA-N 1 3 312.502 2.233 20 0 DEADHO C[C@H]1SCCN(CCN2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000420308106 291260416 /nfs/dbraw/zinc/26/04/16/291260416.db2.gz SAAIHGMSVZKCGC-NVXWUHKLSA-N 1 3 305.491 2.070 20 0 DEADHO CN(c1ccccc1C[NH2+]CCCCO)C1CCN(C)CC1 ZINC000193254481 201014703 /nfs/dbraw/zinc/01/47/03/201014703.db2.gz WZPIJKOJSUGVDL-UHFFFAOYSA-N 1 3 305.466 2.079 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccco1 ZINC000672754245 541060504 /nfs/dbraw/zinc/06/05/04/541060504.db2.gz XIXYTKLTVPRUDD-ZNMIVQPWSA-N 1 3 322.453 2.102 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@@H]1CCC[N@@H+](C)C1)c1ccco1 ZINC000672754245 541060505 /nfs/dbraw/zinc/06/05/05/541060505.db2.gz XIXYTKLTVPRUDD-ZNMIVQPWSA-N 1 3 322.453 2.102 20 0 DEADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000193477460 201059102 /nfs/dbraw/zinc/05/91/02/201059102.db2.gz VNSUEVFZLBIAFC-WMLDXEAASA-N 1 3 301.434 2.153 20 0 DEADHO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC1=CCN(C)CC1 ZINC000271872484 209285440 /nfs/dbraw/zinc/28/54/40/209285440.db2.gz NAFRHNLOVRCZDR-GFCCVEGCSA-N 1 3 322.840 2.304 20 0 DEADHO CCO[C@@H](CC[NH+](C)C)CNCc1cnc2ccccc2n1 ZINC000628233929 366775709 /nfs/dbraw/zinc/77/57/09/366775709.db2.gz CCGZMIUEFDRNPU-HNNXBMFYSA-N 1 3 302.422 2.076 20 0 DEADHO C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000673749770 541140548 /nfs/dbraw/zinc/14/05/48/541140548.db2.gz JWNSZWXDIBBIRM-WMZOPIPTSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000673749770 541140550 /nfs/dbraw/zinc/14/05/50/541140550.db2.gz JWNSZWXDIBBIRM-WMZOPIPTSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@H]1[C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)CCCN1C ZINC000343846031 291286597 /nfs/dbraw/zinc/28/65/97/291286597.db2.gz JGWISEKKPAVWPG-YOEHRIQHSA-N 1 3 322.497 2.175 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000620930897 364205530 /nfs/dbraw/zinc/20/55/30/364205530.db2.gz ZQPISRHFBFFFSM-KRWDZBQOSA-N 1 3 307.482 2.099 20 0 DEADHO CN(C)Cc1cccc(NC(=O)NCCC2=CC[NH2+]CC2)c1 ZINC000623069289 364873801 /nfs/dbraw/zinc/87/38/01/364873801.db2.gz AHYYJWBXHWNALC-UHFFFAOYSA-N 1 3 302.422 2.180 20 0 DEADHO C[C@@H](NC1CC1)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000449161661 240138585 /nfs/dbraw/zinc/13/85/85/240138585.db2.gz GLGJCKJXMIMOGP-OAHLLOKOSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@H]2CCCN2C)C1 ZINC000623493657 365050546 /nfs/dbraw/zinc/05/05/46/365050546.db2.gz MWEAAFWGQJTIGT-HRCADAONSA-N 1 3 324.513 2.136 20 0 DEADHO Cn1cc(C[NH2+]C[C@H]2CCCCN(C)C2)c(-c2cccnc2)n1 ZINC000623656538 365119106 /nfs/dbraw/zinc/11/91/06/365119106.db2.gz WJUGVIIZQUHKKN-OAHLLOKOSA-N 1 3 313.449 2.304 20 0 DEADHO CN1CCCC[C@@H](C[NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000623657356 365121492 /nfs/dbraw/zinc/12/14/92/365121492.db2.gz ORBBXMDSUBUNTP-KRWDZBQOSA-N 1 3 316.493 2.368 20 0 DEADHO C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000623707691 365137801 /nfs/dbraw/zinc/13/78/01/365137801.db2.gz JMUZMBVURAISLP-NVXWUHKLSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@H](NC(=O)NC[C@H]1CCN1C1CCCC1)C1CC[NH+](C)CC1 ZINC000623723792 365148389 /nfs/dbraw/zinc/14/83/89/365148389.db2.gz DUNHQBLVLBORGA-WMLDXEAASA-N 1 3 322.497 2.033 20 0 DEADHO C[N@@H+]1CCCC[C@@H](CNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000623949421 365230318 /nfs/dbraw/zinc/23/03/18/365230318.db2.gz RHENLJCGTXYXMM-DOTOQJQBSA-N 1 3 322.497 2.034 20 0 DEADHO C[N@H+]1CCCC[C@@H](CNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000623949421 365230324 /nfs/dbraw/zinc/23/03/24/365230324.db2.gz RHENLJCGTXYXMM-DOTOQJQBSA-N 1 3 322.497 2.034 20 0 DEADHO O[C@@H](CNCC1(c2ccc(F)cc2)CCC1)C[NH+]1CCCC1 ZINC000629559586 367251763 /nfs/dbraw/zinc/25/17/63/367251763.db2.gz UTAQYOITOINTNO-KRWDZBQOSA-N 1 3 306.425 2.294 20 0 DEADHO CN(CC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCC1 ZINC000629987331 367423088 /nfs/dbraw/zinc/42/30/88/367423088.db2.gz SLJXANCPMRBAAG-QGZVFWFLSA-N 1 3 315.461 2.109 20 0 DEADHO CN(CC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000629987331 367423093 /nfs/dbraw/zinc/42/30/93/367423093.db2.gz SLJXANCPMRBAAG-QGZVFWFLSA-N 1 3 315.461 2.109 20 0 DEADHO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc(=O)[nH]c2)[C@H](C)C1 ZINC000631074169 368003610 /nfs/dbraw/zinc/00/36/10/368003610.db2.gz SVVBGJGIHZDEMR-GDBMZVCRSA-N 1 3 307.438 2.014 20 0 DEADHO CCOCCC[N@H+]1CC[C@@H](NCc2ccc(=O)[nH]c2)[C@H](C)C1 ZINC000631074169 368003615 /nfs/dbraw/zinc/00/36/15/368003615.db2.gz SVVBGJGIHZDEMR-GDBMZVCRSA-N 1 3 307.438 2.014 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])N(C)C)cc1 ZINC000261659322 203088954 /nfs/dbraw/zinc/08/89/54/203088954.db2.gz FCJZMZIPDRYDKY-RCCFBDPRSA-N 1 3 317.477 2.485 20 0 DEADHO C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)C1CCN(C)CC1 ZINC000678583230 541747381 /nfs/dbraw/zinc/74/73/81/541747381.db2.gz YCAXRBQVSPBAGY-QAPCUYQASA-N 1 3 315.461 2.107 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)N(C)C)cc1 ZINC000262361257 203274705 /nfs/dbraw/zinc/27/47/05/203274705.db2.gz IPJSFXIQUMJVMA-BHYGNILZSA-N 1 3 303.450 2.102 20 0 DEADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@H](C)C[NH3+] ZINC000262386216 203279861 /nfs/dbraw/zinc/27/98/61/203279861.db2.gz NQEYCAXCFMEGQZ-CYBMUJFWSA-N 1 3 307.463 2.077 20 0 DEADHO CN(C)CCOc1ccc(NC(=O)CC[C@H]2CCC[NH2+]2)cc1 ZINC000262477459 203303110 /nfs/dbraw/zinc/30/31/10/203303110.db2.gz JRKGMOVDHJKJDQ-CQSZACIVSA-N 1 3 305.422 2.098 20 0 DEADHO N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000262655627 203367639 /nfs/dbraw/zinc/36/76/39/203367639.db2.gz CJMBGIQLJLAYKF-ZWKOTPCHSA-N 1 3 315.461 2.033 20 0 DEADHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccccc1N(C)C ZINC000093946563 193331337 /nfs/dbraw/zinc/33/13/37/193331337.db2.gz JDKBYYRRQIEBMJ-INIZCTEOSA-N 1 3 318.509 2.429 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NCCCCC[NH+]2CCCC2)CN1C1CC1 ZINC000454645431 246024817 /nfs/dbraw/zinc/02/48/17/246024817.db2.gz BHFNUPDANXQHGL-HZPDHXFCSA-N 1 3 322.497 2.177 20 0 DEADHO CC(C)N1CCC([NH2+][C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000679841139 541916418 /nfs/dbraw/zinc/91/64/18/541916418.db2.gz RFZVQCKKSPFESJ-KRWDZBQOSA-N 1 3 307.482 2.382 20 0 DEADHO CN(c1ccccc1C[NH2+][C@@H]1CCC[C@H]1O)C1CCN(C)CC1 ZINC000459598796 248651598 /nfs/dbraw/zinc/65/15/98/248651598.db2.gz QKRKGOGOILWPPD-IEBWSBKVSA-N 1 3 317.477 2.220 20 0 DEADHO CN(C)C/C=C/C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000493269475 249265519 /nfs/dbraw/zinc/26/55/19/249265519.db2.gz WFWMKMPTIPZMGE-NFAHFFEMSA-N 1 3 323.868 2.219 20 0 DEADHO CN1CCN(CC[NH2+][C@H]2CCCc3ccc(O)cc32)CC1(C)C ZINC000284889999 218222850 /nfs/dbraw/zinc/22/28/50/218222850.db2.gz BSSAODGCSMCLGA-SFHVURJKSA-N 1 3 317.477 2.385 20 0 DEADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2c(c1)CC(=O)N2C ZINC000268902858 207072150 /nfs/dbraw/zinc/07/21/50/207072150.db2.gz MQVOIAUBUZERLL-HEHGZKQESA-N 1 3 301.434 2.339 20 0 DEADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2c(c1)CC(=O)N2C ZINC000268902858 207072153 /nfs/dbraw/zinc/07/21/53/207072153.db2.gz MQVOIAUBUZERLL-HEHGZKQESA-N 1 3 301.434 2.339 20 0 DEADHO C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000268988883 207146948 /nfs/dbraw/zinc/14/69/48/207146948.db2.gz MBYCPDHQPAMNAY-SUMWQHHRSA-N 1 3 306.425 2.495 20 0 DEADHO COC[C@H](CCO)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269053752 207202765 /nfs/dbraw/zinc/20/27/65/207202765.db2.gz YLJDOXJHPXPSMK-NXHRZFHOSA-N 1 3 306.450 2.027 20 0 DEADHO COC[C@H](CCO)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269053752 207202768 /nfs/dbraw/zinc/20/27/68/207202768.db2.gz YLJDOXJHPXPSMK-NXHRZFHOSA-N 1 3 306.450 2.027 20 0 DEADHO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000066176282 184395274 /nfs/dbraw/zinc/39/52/74/184395274.db2.gz NSBVPYNHNJSRLW-HNNXBMFYSA-N 1 3 320.481 2.278 20 0 DEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000066176282 184395275 /nfs/dbraw/zinc/39/52/75/184395275.db2.gz NSBVPYNHNJSRLW-HNNXBMFYSA-N 1 3 320.481 2.278 20 0 DEADHO [NH3+]CCCCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000269237056 207366385 /nfs/dbraw/zinc/36/63/85/207366385.db2.gz NMMLTVFHZMFPNO-QGZVFWFLSA-N 1 3 303.450 2.286 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)CCC[NH2+]C)c1cccc(OC)c1 ZINC000269241224 207371133 /nfs/dbraw/zinc/37/11/33/207371133.db2.gz RCEOGOWGBHZHNV-KRWDZBQOSA-N 1 3 321.465 2.194 20 0 DEADHO CC[C@H](CN1CCCC1)NC(=O)N(CC)CCC[NH+]1CCCC1 ZINC000682660722 542336349 /nfs/dbraw/zinc/33/63/49/542336349.db2.gz DZRSRIIBRIDSDN-QGZVFWFLSA-N 1 3 324.513 2.378 20 0 DEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)CCCCCC[NH3+] ZINC000269244995 207376625 /nfs/dbraw/zinc/37/66/25/207376625.db2.gz LLQGDLKUZUNEOY-KRWDZBQOSA-N 1 3 305.466 2.185 20 0 DEADHO CCO[C@@H]1C[C@@H]([NH2+]CCCCN2CCN(C)CC2)C12CCCC2 ZINC000539500024 285078953 /nfs/dbraw/zinc/07/89/53/285078953.db2.gz XAPUVBQTDFKDAO-QZTJIDSGSA-N 1 3 323.525 2.341 20 0 DEADHO CC[N@H+](Cc1ccc(C(=O)N2CCN[C@@H](C)[C@@H]2C)cc1)C1CC1 ZINC000434667714 285097448 /nfs/dbraw/zinc/09/74/48/285097448.db2.gz YKSCPZIRZWUKSI-GJZGRUSLSA-N 1 3 315.461 2.493 20 0 DEADHO CC[N@@H+](Cc1ccc(C(=O)N2CCN[C@@H](C)[C@@H]2C)cc1)C1CC1 ZINC000434667714 285097453 /nfs/dbraw/zinc/09/74/53/285097453.db2.gz YKSCPZIRZWUKSI-GJZGRUSLSA-N 1 3 315.461 2.493 20 0 DEADHO C[C@@H](CCn1cccn1)[NH2+]Cc1ccccc1OCCN(C)C ZINC000158774021 197299751 /nfs/dbraw/zinc/29/97/51/197299751.db2.gz CKVCCZHGIPLASC-INIZCTEOSA-N 1 3 316.449 2.392 20 0 DEADHO C[C@]1(CNC(=O)c2cccc(CN3CCCC3)c2)CCC[NH2+]C1 ZINC000272936397 210322235 /nfs/dbraw/zinc/32/22/35/210322235.db2.gz BHJMQIRFUWDRAS-IBGZPJMESA-N 1 3 315.461 2.402 20 0 DEADHO C[C@H](NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)C1=CCN(C)CC1 ZINC000541893522 285197838 /nfs/dbraw/zinc/19/78/38/285197838.db2.gz AKXHOJPCBUPHAD-HNNXBMFYSA-N 1 3 322.497 2.153 20 0 DEADHO C[C@H](NC(=O)N1CCC[N@H+](C(C)(C)C)CC1)C1=CCN(C)CC1 ZINC000541893522 285197843 /nfs/dbraw/zinc/19/78/43/285197843.db2.gz AKXHOJPCBUPHAD-HNNXBMFYSA-N 1 3 322.497 2.153 20 0 DEADHO CC(C)C[C@@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000155431381 197054079 /nfs/dbraw/zinc/05/40/79/197054079.db2.gz KZRRGNFAJLLQKS-OAHLLOKOSA-N 1 3 324.513 2.279 20 0 DEADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)Cc1ncc(C)s1 ZINC000449326256 285282565 /nfs/dbraw/zinc/28/25/65/285282565.db2.gz UDVPGYAMDLMJHE-HNNXBMFYSA-N 1 3 310.511 2.299 20 0 DEADHO CCN1CC[C@H](C[NH2+]Cc2ccc(COCCOC)cc2)C1 ZINC000289777122 221219881 /nfs/dbraw/zinc/21/98/81/221219881.db2.gz PUCJMLDKVQXTFH-GOSISDBHSA-N 1 3 306.450 2.281 20 0 DEADHO CN(C)CCN1CCC([NH2+]Cc2ccc3cnccc3c2)CC1 ZINC000683765226 542493164 /nfs/dbraw/zinc/49/31/64/542493164.db2.gz GHMCNNJFJLFIHR-UHFFFAOYSA-N 1 3 312.461 2.350 20 0 DEADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCN(CC3CC3)C2)CCCCC1 ZINC000683847144 542504828 /nfs/dbraw/zinc/50/48/28/542504828.db2.gz DABZSWKYVRKTTQ-MRXNPFEDSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H](NCCCOc1ccc(C(F)(F)F)cn1)[C@H]1CC[NH2+]C1 ZINC000423068351 533387051 /nfs/dbraw/zinc/38/70/51/533387051.db2.gz BLWSZSJYPFUQJH-NEPJUHHUSA-N 1 3 317.355 2.457 20 0 DEADHO C[C@@H](NCc1ccc(OCCN(C)C)cc1)[C@H]1CCCC[NH2+]1 ZINC000422896810 533449290 /nfs/dbraw/zinc/44/92/90/533449290.db2.gz IPNXXNRAPQKYFI-CRAIPNDOSA-N 1 3 305.466 2.247 20 0 DEADHO COc1cccc(CCCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422939478 533457822 /nfs/dbraw/zinc/45/78/22/533457822.db2.gz FUVDETOIWPHTQL-IPMKNSEASA-N 1 3 318.461 2.375 20 0 DEADHO COC[C@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000422938373 285416680 /nfs/dbraw/zinc/41/66/80/285416680.db2.gz PMMNARMZUTTWND-XYJFISCASA-N 1 3 302.418 2.257 20 0 DEADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000413668567 533592732 /nfs/dbraw/zinc/59/27/32/533592732.db2.gz KAAOCLHZOKXLHX-JONQDZQNSA-N 1 3 309.498 2.436 20 0 DEADHO C[C@H]([NH2+]Cc1ccnc(OCCN(C)C)c1)[C@]1(C)CCCO1 ZINC000340521639 131935332 /nfs/dbraw/zinc/93/53/32/131935332.db2.gz VTDZUTHYQXPGCC-YOEHRIQHSA-N 1 3 307.438 2.069 20 0 DEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCCN(C)Cc1ccccc1 ZINC000357821368 133102307 /nfs/dbraw/zinc/10/23/07/133102307.db2.gz WIUDEXRCEMMSHR-INIZCTEOSA-N 1 3 320.481 2.146 20 0 DEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCCN(C)Cc1ccccc1 ZINC000357821368 133102308 /nfs/dbraw/zinc/10/23/08/133102308.db2.gz WIUDEXRCEMMSHR-INIZCTEOSA-N 1 3 320.481 2.146 20 0 DEADHO C[C@H](CNC(=O)N[C@@H](C)C1=CCN(C)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000357853333 133104877 /nfs/dbraw/zinc/10/48/77/133104877.db2.gz PJNISXJJSZWHDZ-XHSDSOJGSA-N 1 3 322.497 2.199 20 0 DEADHO C[C@H](CNC(=O)N[C@@H](C)C1=CCN(C)CC1)[N@H+]1CCCC[C@@H]1C ZINC000357853333 133104878 /nfs/dbraw/zinc/10/48/78/133104878.db2.gz PJNISXJJSZWHDZ-XHSDSOJGSA-N 1 3 322.497 2.199 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN(C)[C@H]2CCCC[C@H]2C)CC1 ZINC000358199920 133127583 /nfs/dbraw/zinc/12/75/83/133127583.db2.gz SGXGHQPMKLWKDQ-WBVHZDCISA-N 1 3 309.498 2.486 20 0 DEADHO COC1(CNC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCCC1 ZINC000359698173 133139591 /nfs/dbraw/zinc/13/95/91/133139591.db2.gz DQCPTEBHDDGEFK-IAGOWNOFSA-N 1 3 310.482 2.303 20 0 DEADHO CCCN(CC[NH+](CC)CC)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000360053194 133159146 /nfs/dbraw/zinc/15/91/46/133159146.db2.gz RHYXEPBOWJGJIP-INIZCTEOSA-N 1 3 324.513 2.400 20 0 DEADHO CCC[C@@H]1C[C@@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000360148980 133165452 /nfs/dbraw/zinc/16/54/52/133165452.db2.gz GXTHKCPGNRJUIG-PBHICJAKSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000362491540 133233400 /nfs/dbraw/zinc/23/34/00/133233400.db2.gz YTMGSVTUDIZVEY-NXHRZFHOSA-N 1 3 315.461 2.137 20 0 DEADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000362491540 133233401 /nfs/dbraw/zinc/23/34/01/133233401.db2.gz YTMGSVTUDIZVEY-NXHRZFHOSA-N 1 3 315.461 2.137 20 0 DEADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC000376561488 133300298 /nfs/dbraw/zinc/30/02/98/133300298.db2.gz IPFAKRWLKJQYGS-QAPCUYQASA-N 1 3 315.461 2.447 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000563426841 292056635 /nfs/dbraw/zinc/05/66/35/292056635.db2.gz WOCNILLPIRUZGE-KURKYZTESA-N 1 3 315.461 2.080 20 0 DEADHO N[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000563426841 292056636 /nfs/dbraw/zinc/05/66/36/292056636.db2.gz WOCNILLPIRUZGE-KURKYZTESA-N 1 3 315.461 2.080 20 0 DEADHO CCN1CCN(CCC[NH2+]CC2Cc3ccccc3C2)CC1 ZINC000564536665 292098638 /nfs/dbraw/zinc/09/86/38/292098638.db2.gz JBNXPGOGAUPXCR-UHFFFAOYSA-N 1 3 301.478 2.019 20 0 DEADHO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000356374884 404482811 /nfs/dbraw/zinc/48/28/11/404482811.db2.gz SVNSHGCNTFGAKZ-UONOGXRCSA-N 1 3 310.401 2.070 20 0 DEADHO CCOC(=O)c1csc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)n1 ZINC000193338623 145085229 /nfs/dbraw/zinc/08/52/29/145085229.db2.gz GUDGHAGJUBFSAE-YHWZYXNKSA-N 1 3 323.462 2.077 20 0 DEADHO Cn1c2ccc(F)cc2nc1CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246368191 145100174 /nfs/dbraw/zinc/10/01/74/145100174.db2.gz JAEHFGNLBOHRSK-GJZGRUSLSA-N 1 3 316.424 2.471 20 0 DEADHO Cn1c2ccc(F)cc2nc1CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246368191 145100175 /nfs/dbraw/zinc/10/01/75/145100175.db2.gz JAEHFGNLBOHRSK-GJZGRUSLSA-N 1 3 316.424 2.471 20 0 DEADHO C[C@@H](CNC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)N(C)C1CC1 ZINC000246395793 145101701 /nfs/dbraw/zinc/10/17/01/145101701.db2.gz JBLBYIPXORGAFC-VKJFTORMSA-N 1 3 324.513 2.279 20 0 DEADHO CCN1CC[C@H]([NH2+][C@H]2CC(=O)N(c3ccccc3)C2)[C@H](C)C1 ZINC000246876517 145117962 /nfs/dbraw/zinc/11/79/62/145117962.db2.gz CUVJDUDZDALWCN-VYDXJSESSA-N 1 3 301.434 2.112 20 0 DEADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccnc1 ZINC000248465004 145156136 /nfs/dbraw/zinc/15/61/36/145156136.db2.gz ZUYCWYSIYBXLOQ-DNVCBOLYSA-N 1 3 311.429 2.499 20 0 DEADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccnc1 ZINC000248465004 145156137 /nfs/dbraw/zinc/15/61/37/145156137.db2.gz ZUYCWYSIYBXLOQ-DNVCBOLYSA-N 1 3 311.429 2.499 20 0 DEADHO C(CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)O[C@H]1CCCCO1 ZINC000248850424 145169892 /nfs/dbraw/zinc/16/98/92/145169892.db2.gz WDMVRZXKYJQQEZ-NJAFHUGGSA-N 1 3 308.466 2.478 20 0 DEADHO C(CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)O[C@H]1CCCCO1 ZINC000248850424 145169893 /nfs/dbraw/zinc/16/98/93/145169893.db2.gz WDMVRZXKYJQQEZ-NJAFHUGGSA-N 1 3 308.466 2.478 20 0 DEADHO C[C@H]1CN(C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H](C)O1 ZINC000249037067 145176074 /nfs/dbraw/zinc/17/60/74/145176074.db2.gz SXYVNLXKIHHHOQ-ZSNVMCELSA-N 1 3 309.498 2.089 20 0 DEADHO C[C@H]1CN(C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H](C)O1 ZINC000249037067 145176077 /nfs/dbraw/zinc/17/60/77/145176077.db2.gz SXYVNLXKIHHHOQ-ZSNVMCELSA-N 1 3 309.498 2.089 20 0 DEADHO C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261532507 145205925 /nfs/dbraw/zinc/20/59/25/145205925.db2.gz AKOYCHHAXTVUTQ-DJIMGWMZSA-N 1 3 317.477 2.387 20 0 DEADHO C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261532507 145205927 /nfs/dbraw/zinc/20/59/27/145205927.db2.gz AKOYCHHAXTVUTQ-DJIMGWMZSA-N 1 3 317.477 2.387 20 0 DEADHO C[C@H](NC(=O)C1(N)CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261557591 145207642 /nfs/dbraw/zinc/20/76/42/145207642.db2.gz XNOUFLZMWBEJTH-DOTOQJQBSA-N 1 3 315.461 2.285 20 0 DEADHO C[C@H](NC(=O)C1(N)CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261557591 145207644 /nfs/dbraw/zinc/20/76/44/145207644.db2.gz XNOUFLZMWBEJTH-DOTOQJQBSA-N 1 3 315.461 2.285 20 0 DEADHO Cc1ccc(C(=O)NCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000261754746 145222748 /nfs/dbraw/zinc/22/27/48/145222748.db2.gz PJCQGVJYTPWLAV-RCCFBDPRSA-N 1 3 315.461 2.235 20 0 DEADHO Cc1cc(NC(=O)C[C@H](C)[NH3+])ccc1OCCN1CCCC1 ZINC000261751761 145222935 /nfs/dbraw/zinc/22/29/35/145222935.db2.gz HHUGJSVTZXTAAR-AWEZNQCLSA-N 1 3 305.422 2.145 20 0 DEADHO Cc1ccccc1CN(C)C(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000261837518 145232504 /nfs/dbraw/zinc/23/25/04/145232504.db2.gz CFIPOCHJGSULLT-MRXNPFEDSA-N 1 3 303.450 2.014 20 0 DEADHO C[C@H](c1ccccc1)N(C)C(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000261860218 145235068 /nfs/dbraw/zinc/23/50/68/145235068.db2.gz FWVZTWAWIYCHJE-CVEARBPZSA-N 1 3 303.450 2.267 20 0 DEADHO COc1ccc(CN2CCC([C@@H](C)[NH3+])CC2)c(OC)c1OC ZINC000261913979 145241137 /nfs/dbraw/zinc/24/11/37/145241137.db2.gz GOSPKYYZEJPSKG-GFCCVEGCSA-N 1 3 308.422 2.272 20 0 DEADHO C[NH2+]CCC1CCN([C@H](C)C(=O)NCc2ccccc2)CC1 ZINC000262015932 145254005 /nfs/dbraw/zinc/25/40/05/145254005.db2.gz WARDAGMTIVAVMI-OAHLLOKOSA-N 1 3 303.450 2.013 20 0 DEADHO Cc1cc(C)cc(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000262072943 145258953 /nfs/dbraw/zinc/25/89/53/145258953.db2.gz SHEZUNYVKLPNGD-QGZVFWFLSA-N 1 3 303.450 2.123 20 0 DEADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000263058722 145321802 /nfs/dbraw/zinc/32/18/02/145321802.db2.gz VCZFEVRFCHOMGU-SCTDSRPQSA-N 1 3 315.461 2.285 20 0 DEADHO CC[NH+](CC)[C@@H](CNC(=O)[C@H](N)CC(F)F)c1ccccc1 ZINC000319362700 145371335 /nfs/dbraw/zinc/37/13/35/145371335.db2.gz SPKGAJZEGOPGPY-KGLIPLIRSA-N 1 3 313.392 2.168 20 0 DEADHO Cn1cc(CCN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000336729421 145397521 /nfs/dbraw/zinc/39/75/21/145397521.db2.gz XJYYNRKPSSUESK-UXHICEINSA-N 1 3 324.472 2.417 20 0 DEADHO Cn1cc(CCN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000336729421 145397523 /nfs/dbraw/zinc/39/75/23/145397523.db2.gz XJYYNRKPSSUESK-UXHICEINSA-N 1 3 324.472 2.417 20 0 DEADHO CN(C)CCN(Cc1cccs1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000346276260 146052532 /nfs/dbraw/zinc/05/25/32/146052532.db2.gz HLVHTPTWSXGVQM-KBPBESRZSA-N 1 3 309.479 2.156 20 0 DEADHO C[NH2+]CCC1CCN(Cc2cnc3nc(C)cc(C)n23)CC1 ZINC000346678845 146123014 /nfs/dbraw/zinc/12/30/14/146123014.db2.gz MAQOBKUZWRQSHN-UHFFFAOYSA-N 1 3 301.438 2.168 20 0 DEADHO Cc1nn(-c2ccncc2)cc1CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346832546 146149357 /nfs/dbraw/zinc/14/93/57/146149357.db2.gz QZUSDJSEFPYCLG-WBAXXEDZSA-N 1 3 311.433 2.135 20 0 DEADHO C[N@H+](C[C@@H]1CCCNC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000346835801 146150715 /nfs/dbraw/zinc/15/07/15/146150715.db2.gz OCLZNEQNMXFOHC-MRXNPFEDSA-N 1 3 315.461 2.223 20 0 DEADHO C[N@@H+](C[C@@H]1CCCNC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000346835801 146150716 /nfs/dbraw/zinc/15/07/16/146150716.db2.gz OCLZNEQNMXFOHC-MRXNPFEDSA-N 1 3 315.461 2.223 20 0 DEADHO CN(C[C@@H]1CCC[NH2+]C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000346835801 146150717 /nfs/dbraw/zinc/15/07/17/146150717.db2.gz OCLZNEQNMXFOHC-MRXNPFEDSA-N 1 3 315.461 2.223 20 0 DEADHO Cc1cc(Cl)cc(C)c1CN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000346997084 146176442 /nfs/dbraw/zinc/17/64/42/146176442.db2.gz CFVVMUNNYIPENL-CQSZACIVSA-N 1 3 323.868 2.244 20 0 DEADHO C[C@@H]([NH2+]CCc1ccn(C)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000348253597 146242446 /nfs/dbraw/zinc/24/24/46/146242446.db2.gz KMDMAEAWNNWNHQ-SJLPKXTDSA-N 1 3 312.461 2.463 20 0 DEADHO C[C@@H](NCCc1ccn(C)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348253597 146242448 /nfs/dbraw/zinc/24/24/48/146242448.db2.gz KMDMAEAWNNWNHQ-SJLPKXTDSA-N 1 3 312.461 2.463 20 0 DEADHO C[C@@H](NCCc1ccn(C)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348253597 146242449 /nfs/dbraw/zinc/24/24/49/146242449.db2.gz KMDMAEAWNNWNHQ-SJLPKXTDSA-N 1 3 312.461 2.463 20 0 DEADHO CCCCOc1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000348975971 146335472 /nfs/dbraw/zinc/33/54/72/146335472.db2.gz POOHYVXRBHITLX-GOSISDBHSA-N 1 3 317.477 2.345 20 0 DEADHO CC(C)[C@@H](C[N@@H+]1CC[C@H](N2CCNCC2)C1)c1ccccc1 ZINC000348972472 146335584 /nfs/dbraw/zinc/33/55/84/146335584.db2.gz DPXJCPVLZLCVHQ-RBUKOAKNSA-N 1 3 301.478 2.406 20 0 DEADHO CC(C)[C@@H](C[N@H+]1CC[C@H](N2CCNCC2)C1)c1ccccc1 ZINC000348972472 146335586 /nfs/dbraw/zinc/33/55/86/146335586.db2.gz DPXJCPVLZLCVHQ-RBUKOAKNSA-N 1 3 301.478 2.406 20 0 DEADHO C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@H](N2CCNCC2)C1 ZINC000348974814 146335717 /nfs/dbraw/zinc/33/57/17/146335717.db2.gz MKFMRQXQRDIUNI-MJGOQNOKSA-N 1 3 301.478 2.235 20 0 DEADHO C[C@H](CCc1ccccc1)C[N@H+]1CC[C@H](N2CCNCC2)C1 ZINC000348974814 146335718 /nfs/dbraw/zinc/33/57/18/146335718.db2.gz MKFMRQXQRDIUNI-MJGOQNOKSA-N 1 3 301.478 2.235 20 0 DEADHO Cn1nnc2cc(C[N@@H+]3CC[C@@H](C4CCN(C)CC4)C3)ccc21 ZINC000349153443 146355508 /nfs/dbraw/zinc/35/55/08/146355508.db2.gz SFYSUUAJIBJRIL-MRXNPFEDSA-N 1 3 313.449 2.132 20 0 DEADHO Cn1nnc2cc(C[N@H+]3CC[C@@H](C4CCN(C)CC4)C3)ccc21 ZINC000349153443 146355509 /nfs/dbraw/zinc/35/55/09/146355509.db2.gz SFYSUUAJIBJRIL-MRXNPFEDSA-N 1 3 313.449 2.132 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)N1CCCCC1 ZINC000352322292 146520499 /nfs/dbraw/zinc/52/04/99/146520499.db2.gz KTCWNFSHHRVJBF-QZTJIDSGSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H](C(=O)NCCc1ccccc1)N1CCC(C[NH+](C)C)CC1 ZINC000356572831 146936643 /nfs/dbraw/zinc/93/66/43/146936643.db2.gz SNUVNYLEHKRATH-MRXNPFEDSA-N 1 3 317.477 2.007 20 0 DEADHO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000357248632 147072837 /nfs/dbraw/zinc/07/28/37/147072837.db2.gz RJIGLCAGLZGRRK-KURKYZTESA-N 1 3 315.461 2.287 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000358563502 147156928 /nfs/dbraw/zinc/15/69/28/147156928.db2.gz GVYOZMSOHSBWBR-KRWDZBQOSA-N 1 3 309.498 2.299 20 0 DEADHO C[C@@H]1CCCCN1CCNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000358774627 147201825 /nfs/dbraw/zinc/20/18/25/147201825.db2.gz HZPSOGZKHKPSOW-CVEARBPZSA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H]1CCCCN1CCNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000358774627 147201827 /nfs/dbraw/zinc/20/18/27/147201827.db2.gz HZPSOGZKHKPSOW-CVEARBPZSA-N 1 3 322.497 2.177 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000358850564 147219370 /nfs/dbraw/zinc/21/93/70/147219370.db2.gz CSELWKGQPACJLC-SJORKVTESA-N 1 3 321.440 2.249 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000358850564 147219371 /nfs/dbraw/zinc/21/93/71/147219371.db2.gz CSELWKGQPACJLC-SJORKVTESA-N 1 3 321.440 2.249 20 0 DEADHO Cn1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000358998129 147244146 /nfs/dbraw/zinc/24/41/46/147244146.db2.gz VYLMDQUTDXKZAI-IBGZPJMESA-N 1 3 313.445 2.272 20 0 DEADHO Cn1ccc(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000358998129 147244148 /nfs/dbraw/zinc/24/41/48/147244148.db2.gz VYLMDQUTDXKZAI-IBGZPJMESA-N 1 3 313.445 2.272 20 0 DEADHO C[C@H](c1cccnc1)N1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000359208885 147282289 /nfs/dbraw/zinc/28/22/89/147282289.db2.gz ASPRVWONIATOHM-MRXNPFEDSA-N 1 3 302.466 2.150 20 0 DEADHO C[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)N1CCCC[C@H]1C ZINC000360772683 147381361 /nfs/dbraw/zinc/38/13/61/147381361.db2.gz NMKUEIGLKSSZAU-IXDOHACOSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)N1CCCC[C@H]1C ZINC000360772683 147381362 /nfs/dbraw/zinc/38/13/62/147381362.db2.gz NMKUEIGLKSSZAU-IXDOHACOSA-N 1 3 324.513 2.233 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000370386107 148012902 /nfs/dbraw/zinc/01/29/02/148012902.db2.gz LDPUUKFASFRAAX-QGZVFWFLSA-N 1 3 303.450 2.109 20 0 DEADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCN(C)[C@@H](C)C2)[C@H](C)C1 ZINC000248123402 286063602 /nfs/dbraw/zinc/06/36/02/286063602.db2.gz NPTCEKTZVJBGRS-XDNAFOTISA-N 1 3 311.514 2.196 20 0 DEADHO OC1(CCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000566088757 292203695 /nfs/dbraw/zinc/20/36/95/292203695.db2.gz JLINBDQVZXVISH-YJBOKZPZSA-N 1 3 302.418 2.137 20 0 DEADHO COC[C@@H](O)CNCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000566105322 292205905 /nfs/dbraw/zinc/20/59/05/292205905.db2.gz GTUSMPOARGJSFB-MDZRGWNJSA-N 1 3 320.477 2.261 20 0 DEADHO CCCCN(CC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127468098 401736531 /nfs/dbraw/zinc/73/65/31/401736531.db2.gz LGNAQETZYSINTN-UHFFFAOYSA-N 1 3 324.513 2.377 20 0 DEADHO O=C(CCNC1CC[NH+](C2CCC2)CC1)Nc1cccnc1 ZINC000566121708 292207653 /nfs/dbraw/zinc/20/76/53/292207653.db2.gz NHKCUFKKGVISLV-UHFFFAOYSA-N 1 3 302.422 2.017 20 0 DEADHO CCN1CCC(NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000127022000 401716932 /nfs/dbraw/zinc/71/69/32/401716932.db2.gz SOUUPHXXHMKQBJ-INIZCTEOSA-N 1 3 324.513 2.282 20 0 DEADHO CCN1CCC(NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000127022000 401716934 /nfs/dbraw/zinc/71/69/34/401716934.db2.gz SOUUPHXXHMKQBJ-INIZCTEOSA-N 1 3 324.513 2.282 20 0 DEADHO C[C@@H](Cc1c(Cl)cccc1Cl)NC[C@H](O)C[NH+](C)C ZINC000130134076 401819456 /nfs/dbraw/zinc/81/94/56/401819456.db2.gz OYOMZMOOUBDDCK-QWRGUYRKSA-N 1 3 305.249 2.437 20 0 DEADHO CC(C)[N@H+](C)CC(=O)NC1CCN(Cc2ccsc2)CC1 ZINC000115444956 401828574 /nfs/dbraw/zinc/82/85/74/401828574.db2.gz YGNIYPRWDMEPNC-UHFFFAOYSA-N 1 3 309.479 2.169 20 0 DEADHO CC(C)[N@@H+](C)CC(=O)NC1CCN(Cc2ccsc2)CC1 ZINC000115444956 401828577 /nfs/dbraw/zinc/82/85/77/401828577.db2.gz YGNIYPRWDMEPNC-UHFFFAOYSA-N 1 3 309.479 2.169 20 0 DEADHO CCC[NH+]1CCC(NC(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000078481612 401852436 /nfs/dbraw/zinc/85/24/36/401852436.db2.gz MAKUKGVIAWUKBK-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO C[NH+](C)CCCOc1cccc(NC(=O)[C@@H](N)C(C)(C)C)c1 ZINC000119169016 401930484 /nfs/dbraw/zinc/93/04/84/401930484.db2.gz HKKFDJMKXROZFO-OAHLLOKOSA-N 1 3 307.438 2.329 20 0 DEADHO CC[C@]1(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CCC[NH2+]1 ZINC000134606130 401908695 /nfs/dbraw/zinc/90/86/95/401908695.db2.gz MWTOEARTWUMOLG-IEBWSBKVSA-N 1 3 315.461 2.299 20 0 DEADHO CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000153451916 402146463 /nfs/dbraw/zinc/14/64/63/402146463.db2.gz OYEVWXYAVORDPS-HOTGVXAUSA-N 1 3 324.513 2.375 20 0 DEADHO CC[C@H](C(=O)NCc1ccccc1C[NH+](CC)CC)N(C)C ZINC000124599540 402187351 /nfs/dbraw/zinc/18/73/51/402187351.db2.gz XNUSTPBUTMESGP-QGZVFWFLSA-N 1 3 305.466 2.485 20 0 DEADHO COCC[N@H+](C)CCCN[C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000153770376 402169498 /nfs/dbraw/zinc/16/94/98/402169498.db2.gz QZNIBWHNPMITSQ-MRXNPFEDSA-N 1 3 316.449 2.491 20 0 DEADHO COCC[N@@H+](C)CCCN[C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000153770376 402169499 /nfs/dbraw/zinc/16/94/99/402169499.db2.gz QZNIBWHNPMITSQ-MRXNPFEDSA-N 1 3 316.449 2.491 20 0 DEADHO CCC[C@H]1CN(CCCCn2ccnc2C)CC[N@@H+]1CCOC ZINC000154405812 402211642 /nfs/dbraw/zinc/21/16/42/402211642.db2.gz MNPGMAAXWDGKRI-SFHVURJKSA-N 1 3 322.497 2.404 20 0 DEADHO CCC[C@H]1CN(CCCCn2ccnc2C)CC[N@H+]1CCOC ZINC000154405812 402211645 /nfs/dbraw/zinc/21/16/45/402211645.db2.gz MNPGMAAXWDGKRI-SFHVURJKSA-N 1 3 322.497 2.404 20 0 DEADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000220788060 402302469 /nfs/dbraw/zinc/30/24/69/402302469.db2.gz RUCVWPUDYRGOCM-LSDHHAIUSA-N 1 3 311.470 2.317 20 0 DEADHO CC[N@@H+]1CC[C@@H](CN[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000220788060 402302473 /nfs/dbraw/zinc/30/24/73/402302473.db2.gz RUCVWPUDYRGOCM-LSDHHAIUSA-N 1 3 311.470 2.317 20 0 DEADHO CC[N@H+]1CC[C@@H](CN[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000220788060 402302474 /nfs/dbraw/zinc/30/24/74/402302474.db2.gz RUCVWPUDYRGOCM-LSDHHAIUSA-N 1 3 311.470 2.317 20 0 DEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000185373577 402348303 /nfs/dbraw/zinc/34/83/03/402348303.db2.gz YGUAHXQMJWHTRD-HUUCEWRRSA-N 1 3 310.486 2.033 20 0 DEADHO CC1CCN([C@@H](CNC(=O)CCC[NH3+])c2cccs2)CC1 ZINC000236720457 402377900 /nfs/dbraw/zinc/37/79/00/402377900.db2.gz XTKBSNWUWCIIPJ-AWEZNQCLSA-N 1 3 309.479 2.376 20 0 DEADHO CCCC[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000236810547 402383812 /nfs/dbraw/zinc/38/38/12/402383812.db2.gz AKHQVXYSFHEVEF-IRXDYDNUSA-N 1 3 305.466 2.485 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)CC1 ZINC000185197842 402333657 /nfs/dbraw/zinc/33/36/57/402333657.db2.gz BFHNTEFFLUNKSG-IAGOWNOFSA-N 1 3 311.514 2.196 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)[C@H]2CCCC[NH2+]2)CCN1Cc1ccccc1 ZINC000237534221 402411281 /nfs/dbraw/zinc/41/12/81/402411281.db2.gz ZZCJTBQENXFEKV-RYQLBKOJSA-N 1 3 315.461 2.298 20 0 DEADHO CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000177671625 402425138 /nfs/dbraw/zinc/42/51/38/402425138.db2.gz MQVQOQBPGIMUPE-GOEBONIOSA-N 1 3 322.497 2.031 20 0 DEADHO O=C([C@@H]1CCCCN1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000237935961 402426639 /nfs/dbraw/zinc/42/66/39/402426639.db2.gz AFJDSGOTSVCCHA-KRWDZBQOSA-N 1 3 307.482 2.243 20 0 DEADHO O=C([C@@H]1CCCCN1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000237935961 402426642 /nfs/dbraw/zinc/42/66/42/402426642.db2.gz AFJDSGOTSVCCHA-KRWDZBQOSA-N 1 3 307.482 2.243 20 0 DEADHO CN(C)[C@@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000177743801 402431752 /nfs/dbraw/zinc/43/17/52/402431752.db2.gz RNCWKWFLQFJVCY-ONQFOCNCSA-N 1 3 315.461 2.326 20 0 DEADHO [NH3+][C@H]1CCC[C@@H](C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000238014245 402431802 /nfs/dbraw/zinc/43/18/02/402431802.db2.gz XQCVYUVMSFYUDK-AEFFLSMTSA-N 1 3 315.461 2.069 20 0 DEADHO O=C(NCC1CCN(Cc2cccs2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000238010386 402431971 /nfs/dbraw/zinc/43/19/71/402431971.db2.gz BMBWCRULKBRVDJ-INIZCTEOSA-N 1 3 321.490 2.218 20 0 DEADHO [NH3+]CC1(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCCC1 ZINC000238054338 402435041 /nfs/dbraw/zinc/43/50/41/402435041.db2.gz LLWNZVQCYWCZKD-KRWDZBQOSA-N 1 3 315.461 2.459 20 0 DEADHO O=C(CC1CC[NH2+]CC1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000238139956 402438921 /nfs/dbraw/zinc/43/89/21/402438921.db2.gz WRHYVESDKAZLEI-SFHVURJKSA-N 1 3 315.461 2.329 20 0 DEADHO O=C(CC1CC[NH2+]CC1)NC1CCN(Cc2ccccc2)CC1 ZINC000238134449 402439118 /nfs/dbraw/zinc/43/91/18/402439118.db2.gz HOTKHUQBZVIUCO-UHFFFAOYSA-N 1 3 315.461 2.157 20 0 DEADHO CCc1ccc([C@H](CNC(=O)[C@@]2(C)CCC[NH2+]C2)N(C)C)cc1 ZINC000236980663 402390146 /nfs/dbraw/zinc/39/01/46/402390146.db2.gz RSWGREFMZQBXAC-HKUYNNGSSA-N 1 3 317.477 2.358 20 0 DEADHO O=C(C[C@H]1CCC[NH2+]1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000165042415 402472063 /nfs/dbraw/zinc/47/20/63/402472063.db2.gz NBWZIJJIEVNLAY-IAGOWNOFSA-N 1 3 301.434 2.082 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000424031713 296646551 /nfs/dbraw/zinc/64/65/51/296646551.db2.gz BFJVCGSLBBFZQB-KSOFFCTLSA-N 1 3 319.493 2.129 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)C2([NH3+])CCCCC2)N(C)C)cc1 ZINC000165628627 402477314 /nfs/dbraw/zinc/47/73/14/402477314.db2.gz SRBZXEXAZPMPAJ-MRXNPFEDSA-N 1 3 303.450 2.376 20 0 DEADHO C[C@H](N)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000165883144 402479541 /nfs/dbraw/zinc/47/95/41/402479541.db2.gz JXOUKUSAKREGSK-AWEZNQCLSA-N 1 3 303.450 2.415 20 0 DEADHO C[C@H](N)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000165883144 402479543 /nfs/dbraw/zinc/47/95/43/402479543.db2.gz JXOUKUSAKREGSK-AWEZNQCLSA-N 1 3 303.450 2.415 20 0 DEADHO Cc1ccc(NC(=O)C[C@@H]2CCC[NH2+]2)c(OCCN(C)C)c1 ZINC000169089075 402499863 /nfs/dbraw/zinc/49/98/63/402499863.db2.gz YFFKSSIBMWEPPJ-AWEZNQCLSA-N 1 3 305.422 2.016 20 0 DEADHO CC(C)OC1CC([NH2+]Cc2ccnc(OCCN(C)C)c2)C1 ZINC000189562525 402545888 /nfs/dbraw/zinc/54/58/88/402545888.db2.gz VEUCRZSKJRBOEY-UHFFFAOYSA-N 1 3 307.438 2.068 20 0 DEADHO CC[N@@H+]1CC[C@@H](N(C)C[C@H](O)COCc2ccccc2)[C@H](C)C1 ZINC000178979104 402561232 /nfs/dbraw/zinc/56/12/32/402561232.db2.gz IAHKKXHDENWOOU-NZSAHSFTSA-N 1 3 320.477 2.226 20 0 DEADHO CC[N@H+]1CC[C@@H](N(C)C[C@H](O)COCc2ccccc2)[C@H](C)C1 ZINC000178979104 402561234 /nfs/dbraw/zinc/56/12/34/402561234.db2.gz IAHKKXHDENWOOU-NZSAHSFTSA-N 1 3 320.477 2.226 20 0 DEADHO C[C@@H](C(=O)NCCN(C)Cc1ccccc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000171269927 402572986 /nfs/dbraw/zinc/57/29/86/402572986.db2.gz SQMWGCVDLWAZKH-ZACQAIPSSA-N 1 3 317.477 2.496 20 0 DEADHO CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]C2)[C@H]1c1cccs1 ZINC000246244324 402519633 /nfs/dbraw/zinc/51/96/33/402519633.db2.gz JECCJPBRJCRXNQ-YCPHGPKFSA-N 1 3 321.490 2.247 20 0 DEADHO COc1cccc([C@@H](CNC(=O)CC(C)(C)[NH3+])N2CCCC2)c1 ZINC000178661727 402523029 /nfs/dbraw/zinc/52/30/29/402523029.db2.gz CYTQETWUIVXUHL-MRXNPFEDSA-N 1 3 319.449 2.076 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)C1 ZINC000246364407 402527558 /nfs/dbraw/zinc/52/75/58/402527558.db2.gz HIPZYEXPDDWSRT-BZUAXINKSA-N 1 3 322.497 2.031 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)C1 ZINC000246364407 402527560 /nfs/dbraw/zinc/52/75/60/402527560.db2.gz HIPZYEXPDDWSRT-BZUAXINKSA-N 1 3 322.497 2.031 20 0 DEADHO C[NH2+]CCCC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000178769167 402536821 /nfs/dbraw/zinc/53/68/21/402536821.db2.gz XLDHDGKMYWRLRM-HNNXBMFYSA-N 1 3 303.450 2.328 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000171832658 402627024 /nfs/dbraw/zinc/62/70/24/402627024.db2.gz YXJCYEHFHGPUHW-QGZVFWFLSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1cccc(OCCN(C)C)c1 ZINC000250090719 402644326 /nfs/dbraw/zinc/64/43/26/402644326.db2.gz QEXYRMGJEQNDCB-RRQGHBQHSA-N 1 3 306.450 2.437 20 0 DEADHO C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1ccc(OCCN(C)C)cc1 ZINC000250084559 402644410 /nfs/dbraw/zinc/64/44/10/402644410.db2.gz PPEOXNXUCFXSCU-IAOVAPTHSA-N 1 3 306.450 2.437 20 0 DEADHO Cc1ccccc1CNC(=O)[C@H](C)[NH2+]C1CCN(C(C)C)CC1 ZINC000173614891 402704965 /nfs/dbraw/zinc/70/49/65/402704965.db2.gz LRMCXJWZJMJUCP-INIZCTEOSA-N 1 3 317.477 2.462 20 0 DEADHO Cc1ccc(CNC(=O)[C@H](C)[NH2+]C2CCN(C(C)C)CC2)cc1 ZINC000173620022 402705230 /nfs/dbraw/zinc/70/52/30/402705230.db2.gz JNGGTIITBRPQRB-INIZCTEOSA-N 1 3 317.477 2.462 20 0 DEADHO [NH3+]C1(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCCCC1 ZINC000261557546 402713885 /nfs/dbraw/zinc/71/38/85/402713885.db2.gz XJYXVKQWTMKTIV-MRXNPFEDSA-N 1 3 301.434 2.039 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])N(C)C)cc1 ZINC000261615039 402714483 /nfs/dbraw/zinc/71/44/83/402714483.db2.gz ADHRTZZGYSXLHY-BRWVUGGUSA-N 1 3 303.450 2.089 20 0 DEADHO C[C@H](NC(=O)NC1CCN(C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182360291 402683764 /nfs/dbraw/zinc/68/37/64/402683764.db2.gz PWJMGSHDGATGMA-LSDHHAIUSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@H](NC(=O)NC1CCN(C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182360291 402683765 /nfs/dbraw/zinc/68/37/65/402683765.db2.gz PWJMGSHDGATGMA-LSDHHAIUSA-N 1 3 322.497 2.033 20 0 DEADHO CC(C)C[C@H](N)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000262705195 402729929 /nfs/dbraw/zinc/72/99/29/402729929.db2.gz LWAFEFHYTGDFSC-ZACQAIPSSA-N 1 3 309.498 2.473 20 0 DEADHO CC(C)C[C@H](N)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000262705195 402729932 /nfs/dbraw/zinc/72/99/32/402729932.db2.gz LWAFEFHYTGDFSC-ZACQAIPSSA-N 1 3 309.498 2.473 20 0 DEADHO CC[C@H](C)[C@@H](N)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000262710845 402729990 /nfs/dbraw/zinc/72/99/90/402729990.db2.gz QJJNMAOQHMQATL-GVDBMIGSSA-N 1 3 309.498 2.330 20 0 DEADHO NC[C@H](NC(=O)CC[C@@H]1CC[NH2+]C1)c1ccc2ccccc2c1 ZINC000262928187 402737022 /nfs/dbraw/zinc/73/70/22/402737022.db2.gz ZZJFVJMMYLWXBQ-KDOFPFPSSA-N 1 3 311.429 2.346 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174568914 402747418 /nfs/dbraw/zinc/74/74/18/402747418.db2.gz OYHGIKZJDZJRLS-SJORKVTESA-N 1 3 307.482 2.195 20 0 DEADHO CN(CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)Cc1ccccc1 ZINC000263238563 402748874 /nfs/dbraw/zinc/74/88/74/402748874.db2.gz FLUKPNRHGJANJT-KSZLIROESA-N 1 3 315.461 2.155 20 0 DEADHO COC[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccccc1 ZINC000193002848 402760539 /nfs/dbraw/zinc/76/05/39/402760539.db2.gz UHXLRVBDOAQWBZ-LJQANCHMSA-N 1 3 319.493 2.380 20 0 DEADHO C[C@H](C[S@@](C)=O)N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000184297281 402833841 /nfs/dbraw/zinc/83/38/41/402833841.db2.gz CBNGMTVXRDJDRJ-HKZYLEAXSA-N 1 3 312.479 2.045 20 0 DEADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)C12CCC[NH+]1CCC2 ZINC000278825489 402875591 /nfs/dbraw/zinc/87/55/91/402875591.db2.gz RNAQMGQJHFZGQN-INIZCTEOSA-N 1 3 315.461 2.252 20 0 DEADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000272176841 402906077 /nfs/dbraw/zinc/90/60/77/402906077.db2.gz CTNHPUCFJIYXCV-OLZOCXBDSA-N 1 3 315.417 2.304 20 0 DEADHO Cc1ccncc1CCC[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000278969406 402891469 /nfs/dbraw/zinc/89/14/69/402891469.db2.gz OKELLIJHYROYQR-QGZVFWFLSA-N 1 3 317.477 2.413 20 0 DEADHO Cc1ccncc1CCCNC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000278969406 402891470 /nfs/dbraw/zinc/89/14/70/402891470.db2.gz OKELLIJHYROYQR-QGZVFWFLSA-N 1 3 317.477 2.413 20 0 DEADHO C[C@H](CC(N)=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000267240753 403028490 /nfs/dbraw/zinc/02/84/90/403028490.db2.gz MOSGUUXSULPDQK-LSDHHAIUSA-N 1 3 303.450 2.272 20 0 DEADHO C[C@H](CC(N)=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000267240753 403028491 /nfs/dbraw/zinc/02/84/91/403028491.db2.gz MOSGUUXSULPDQK-LSDHHAIUSA-N 1 3 303.450 2.272 20 0 DEADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)/C=C/C[NH+](C)C ZINC000274577587 403069022 /nfs/dbraw/zinc/06/90/22/403069022.db2.gz RUKZHLSQWWXCAC-PEKVBPLLSA-N 1 3 317.477 2.377 20 0 DEADHO CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268685406 403106375 /nfs/dbraw/zinc/10/63/75/403106375.db2.gz HHVXEYHOIXZWPP-SFHVURJKSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCNC(=O)C1CC1 ZINC000268733317 403110773 /nfs/dbraw/zinc/11/07/73/403110773.db2.gz PDNRLTRXPZZJTP-CRAIPNDOSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCNC(=O)C1CC1 ZINC000268733317 403110776 /nfs/dbraw/zinc/11/07/76/403110776.db2.gz PDNRLTRXPZZJTP-CRAIPNDOSA-N 1 3 315.461 2.013 20 0 DEADHO Cc1cccc(C(=O)NCCN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000268769562 403112187 /nfs/dbraw/zinc/11/21/87/403112187.db2.gz DKMHLFFSQPHZAU-HLLBOEOZSA-N 1 3 303.450 2.043 20 0 DEADHO Cc1cccc(C(=O)NCCN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000268769562 403112190 /nfs/dbraw/zinc/11/21/90/403112190.db2.gz DKMHLFFSQPHZAU-HLLBOEOZSA-N 1 3 303.450 2.043 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000269267141 403126530 /nfs/dbraw/zinc/12/65/30/403126530.db2.gz PPDCNNDTASJOTD-UBDQQSCGSA-N 1 3 315.461 2.141 20 0 DEADHO COc1ccc2c(c1)[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)CC2 ZINC000282165773 403128907 /nfs/dbraw/zinc/12/89/07/403128907.db2.gz DQYOZMXXYHTABQ-SFHVURJKSA-N 1 3 317.477 2.298 20 0 DEADHO CN1CCN(CC[NH2+]Cc2cccc3[nH]ccc32)CC1(C)C ZINC000282194294 403131139 /nfs/dbraw/zinc/13/11/39/403131139.db2.gz CEPKYZMTYCPLHR-UHFFFAOYSA-N 1 3 300.450 2.284 20 0 DEADHO CCc1oc(CNCC2(C)CC[NH+](C)CC2)cc1C(=O)OC ZINC000338936469 403287728 /nfs/dbraw/zinc/28/77/28/403287728.db2.gz OBTZVSMSXPPJJK-UHFFFAOYSA-N 1 3 308.422 2.450 20 0 DEADHO C[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1-n1ccnn1 ZINC000285672496 403353731 /nfs/dbraw/zinc/35/37/31/403353731.db2.gz NNPKWWKRJCQZKS-CABCVRRESA-N 1 3 311.433 2.402 20 0 DEADHO C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1-n1ccnn1 ZINC000285672496 403353733 /nfs/dbraw/zinc/35/37/33/403353733.db2.gz NNPKWWKRJCQZKS-CABCVRRESA-N 1 3 311.433 2.402 20 0 DEADHO COC(=O)CC[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285528892 403318970 /nfs/dbraw/zinc/31/89/70/403318970.db2.gz KSRZZQMLNSDEGR-GOSISDBHSA-N 1 3 302.418 2.148 20 0 DEADHO COC(=O)CC[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285528892 403318974 /nfs/dbraw/zinc/31/89/74/403318974.db2.gz KSRZZQMLNSDEGR-GOSISDBHSA-N 1 3 302.418 2.148 20 0 DEADHO COC(=O)CCCCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298148270 403325032 /nfs/dbraw/zinc/32/50/32/403325032.db2.gz RHNDHZXNXLCYAL-UHFFFAOYSA-N 1 3 305.422 2.373 20 0 DEADHO OC[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccc(F)cc1 ZINC000339067782 403342366 /nfs/dbraw/zinc/34/23/66/403342366.db2.gz IHOFLSBADYXUQX-CGTJXYLNSA-N 1 3 306.425 2.193 20 0 DEADHO OC[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccc(F)cc1 ZINC000339067782 403342371 /nfs/dbraw/zinc/34/23/71/403342371.db2.gz IHOFLSBADYXUQX-CGTJXYLNSA-N 1 3 306.425 2.193 20 0 DEADHO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H](C)CN(C)C ZINC000293351916 403449989 /nfs/dbraw/zinc/44/99/89/403449989.db2.gz GZCQCMYFOJDYHY-NWDGAFQWSA-N 1 3 312.845 2.239 20 0 DEADHO C[C@H](CC(=O)Nc1cccnc1Cl)NC[C@H](C)C[NH+](C)C ZINC000293351916 403449994 /nfs/dbraw/zinc/44/99/94/403449994.db2.gz GZCQCMYFOJDYHY-NWDGAFQWSA-N 1 3 312.845 2.239 20 0 DEADHO C[C@H](CCNC(=O)N[C@H](C)C1=CCN(C)CC1)[NH+]1CCCCC1 ZINC000345728566 403458100 /nfs/dbraw/zinc/45/81/00/403458100.db2.gz NXSNPSGTISVDJH-HZPDHXFCSA-N 1 3 322.497 2.201 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)N2CCN(CCC(C)(C)C)CC2)CCC[N@@H+]1C ZINC000345750784 403468829 /nfs/dbraw/zinc/46/88/29/403468829.db2.gz OKWOLFMEDVLILY-CVEARBPZSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)N2CCN(CCC(C)(C)C)CC2)CCC[N@H+]1C ZINC000345750784 403468833 /nfs/dbraw/zinc/46/88/33/403468833.db2.gz OKWOLFMEDVLILY-CVEARBPZSA-N 1 3 324.513 2.233 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCN1CCCCC1 ZINC000343159178 403482178 /nfs/dbraw/zinc/48/21/78/403482178.db2.gz OEIYVHRCFPWEBY-QGZVFWFLSA-N 1 3 324.513 2.426 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCCN1CCCCC1 ZINC000343159178 403482181 /nfs/dbraw/zinc/48/21/81/403482181.db2.gz OEIYVHRCFPWEBY-QGZVFWFLSA-N 1 3 324.513 2.426 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCCN(C)CC2)C1 ZINC000339988245 403516959 /nfs/dbraw/zinc/51/69/59/403516959.db2.gz SSANEPIMBUVZKE-HZPDHXFCSA-N 1 3 324.513 2.090 20 0 DEADHO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@@H]2CCCc3ccccc32)C1 ZINC000346088760 403573176 /nfs/dbraw/zinc/57/31/76/403573176.db2.gz UWHRXNKNHNECOS-SJLPKXTDSA-N 1 3 315.461 2.241 20 0 DEADHO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@@H]2CCCc3ccccc32)C1 ZINC000346088760 403573179 /nfs/dbraw/zinc/57/31/79/403573179.db2.gz UWHRXNKNHNECOS-SJLPKXTDSA-N 1 3 315.461 2.241 20 0 DEADHO Cn1nncc1CNC1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000287500024 403611155 /nfs/dbraw/zinc/61/11/55/403611155.db2.gz YMBOJRWHVRKMII-UHFFFAOYSA-N 1 3 313.449 2.348 20 0 DEADHO Cn1nncc1CNC1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000287500024 403611158 /nfs/dbraw/zinc/61/11/58/403611158.db2.gz YMBOJRWHVRKMII-UHFFFAOYSA-N 1 3 313.449 2.348 20 0 DEADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CC1CCN(C)CC1 ZINC000347023338 403611769 /nfs/dbraw/zinc/61/17/69/403611769.db2.gz KCJOMKUOKGZHKE-BZUAXINKSA-N 1 3 309.498 2.201 20 0 DEADHO COC(=O)COc1ccc(CN2CCC(C[NH+](C)C)CC2)cc1 ZINC000340915957 403696228 /nfs/dbraw/zinc/69/62/28/403696228.db2.gz MZRXFTBVTYWCLK-UHFFFAOYSA-N 1 3 320.433 2.012 20 0 DEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC2=CCN(C)CC2)C1 ZINC000343712262 403702741 /nfs/dbraw/zinc/70/27/41/403702741.db2.gz HMAGRGIRZATSGD-OAHLLOKOSA-N 1 3 322.497 2.058 20 0 DEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC2=CCN(C)CC2)C1 ZINC000343712262 403702743 /nfs/dbraw/zinc/70/27/43/403702743.db2.gz HMAGRGIRZATSGD-OAHLLOKOSA-N 1 3 322.497 2.058 20 0 DEADHO CO[C@@H]1CCN(Cc2ccccc2C[N@@H+]2CC[C@@H](OC)C2)C1 ZINC000343742107 403714502 /nfs/dbraw/zinc/71/45/02/403714502.db2.gz ONGZDOHHMDYQBD-QZTJIDSGSA-N 1 3 304.434 2.128 20 0 DEADHO CO[C@@H]1CCN(Cc2ccccc2C[N@H+]2CC[C@@H](OC)C2)C1 ZINC000343742107 403714503 /nfs/dbraw/zinc/71/45/03/403714503.db2.gz ONGZDOHHMDYQBD-QZTJIDSGSA-N 1 3 304.434 2.128 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)NCC2([NH+](C)C)CCCCCC2)CCN1C ZINC000340984069 403723222 /nfs/dbraw/zinc/72/32/22/403723222.db2.gz AIWMYGRGWNISLN-CVEARBPZSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CCN1C ZINC000340989846 403725468 /nfs/dbraw/zinc/72/54/68/403725468.db2.gz SNSMIVMRGWRAKE-GVDBMIGSSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CCN1C ZINC000340989846 403725471 /nfs/dbraw/zinc/72/54/71/403725471.db2.gz SNSMIVMRGWRAKE-GVDBMIGSSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@@H](CNC(=O)c1ccc2c(c1)CNC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000347521816 403740157 /nfs/dbraw/zinc/74/01/57/403740157.db2.gz KEDYHTDZECZOGK-KGLIPLIRSA-N 1 3 301.434 2.140 20 0 DEADHO C[C@@H](CNC(=O)c1ccc2c(c1)CNC2)[N@H+]1CCC[C@@H](C)C1 ZINC000347521816 403740159 /nfs/dbraw/zinc/74/01/59/403740159.db2.gz KEDYHTDZECZOGK-KGLIPLIRSA-N 1 3 301.434 2.140 20 0 DEADHO Cc1ccccc1OC[C@@H](O)CN1CCC(C[NH+](C)C)CC1 ZINC000341194005 403818554 /nfs/dbraw/zinc/81/85/54/403818554.db2.gz RJCWVHZHALWLBJ-KRWDZBQOSA-N 1 3 306.450 2.008 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N[C@H]1CCN(C)[C@@H](C)C1)C(C)C ZINC000347713783 403820259 /nfs/dbraw/zinc/82/02/59/403820259.db2.gz XUBRNGXQAFMZKI-HOTGVXAUSA-N 1 3 312.502 2.277 20 0 DEADHO C[C@@H](c1ccccn1)[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343990679 403831399 /nfs/dbraw/zinc/83/13/99/403831399.db2.gz URIUDOYNZDMDFQ-RYRKJORJSA-N 1 3 302.466 2.100 20 0 DEADHO C[C@@H](c1ccccn1)[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343990679 403831403 /nfs/dbraw/zinc/83/14/03/403831403.db2.gz URIUDOYNZDMDFQ-RYRKJORJSA-N 1 3 302.466 2.100 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000347624436 403781015 /nfs/dbraw/zinc/78/10/15/403781015.db2.gz NHINPPPXUCIIEV-KSZLIROESA-N 1 3 315.461 2.285 20 0 DEADHO CCCCN(C)CCNC(=O)N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000341121239 403784408 /nfs/dbraw/zinc/78/44/08/403784408.db2.gz IGEZRNZTAUCMHB-MRXNPFEDSA-N 1 3 312.502 2.092 20 0 DEADHO CCCCN(C)CCNC(=O)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000341121239 403784410 /nfs/dbraw/zinc/78/44/10/403784410.db2.gz IGEZRNZTAUCMHB-MRXNPFEDSA-N 1 3 312.502 2.092 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000341155540 403799545 /nfs/dbraw/zinc/79/95/45/403799545.db2.gz FKZQLDKLKPLQSF-ARFHVFGLSA-N 1 3 310.486 2.033 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000341155540 403799549 /nfs/dbraw/zinc/79/95/49/403799549.db2.gz FKZQLDKLKPLQSF-ARFHVFGLSA-N 1 3 310.486 2.033 20 0 DEADHO CCC[N@H+](CC)CCNC(=O)N(CCN(C)C)C1CCCC1 ZINC000344098892 403908517 /nfs/dbraw/zinc/90/85/17/403908517.db2.gz AEJHBPIPDCUOOS-UHFFFAOYSA-N 1 3 312.502 2.234 20 0 DEADHO CCC[N@@H+](CC)CCNC(=O)N(CCN(C)C)C1CCCC1 ZINC000344098892 403908523 /nfs/dbraw/zinc/90/85/23/403908523.db2.gz AEJHBPIPDCUOOS-UHFFFAOYSA-N 1 3 312.502 2.234 20 0 DEADHO CCCC[NH+]1CCC(NC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000341324048 403909558 /nfs/dbraw/zinc/90/95/58/403909558.db2.gz MWAXMZFIKBMOAK-WMLDXEAASA-N 1 3 322.497 2.033 20 0 DEADHO CN(CCOCCO)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411688357 403938392 /nfs/dbraw/zinc/93/83/92/403938392.db2.gz ICTHKTLGRSQOEY-UHFFFAOYSA-N 1 3 306.450 2.113 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000337369622 403982266 /nfs/dbraw/zinc/98/22/66/403982266.db2.gz OMERTQTXKVPNEZ-IKGGRYGDSA-N 1 3 324.513 2.423 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000337369622 403982274 /nfs/dbraw/zinc/98/22/74/403982274.db2.gz OMERTQTXKVPNEZ-IKGGRYGDSA-N 1 3 324.513 2.423 20 0 DEADHO CC(C)N1CCCN(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000341489162 403995148 /nfs/dbraw/zinc/99/51/48/403995148.db2.gz CTNSJARSGZATCC-IRXDYDNUSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)N1CCCN(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000341489162 403995152 /nfs/dbraw/zinc/99/51/52/403995152.db2.gz CTNSJARSGZATCC-IRXDYDNUSA-N 1 3 324.513 2.233 20 0 DEADHO [NH3+][C@@H](CCC(=O)NCCN1CCCCCC1)c1ccccc1 ZINC000316033608 404022640 /nfs/dbraw/zinc/02/26/40/404022640.db2.gz HOGUBJIXDJDAPG-KRWDZBQOSA-N 1 3 303.450 2.459 20 0 DEADHO COc1ccc2c(c1)C[C@H](NC[C@@H]1CC[N@H+](C3CC3)C1)CO2 ZINC000296060778 404073830 /nfs/dbraw/zinc/07/38/30/404073830.db2.gz RPAVBEUIOCBUST-ZFWWWQNUSA-N 1 3 302.418 2.073 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000341618690 404071373 /nfs/dbraw/zinc/07/13/73/404071373.db2.gz TUXPCLRSZTYMHO-ZMSDIMECSA-N 1 3 322.497 2.033 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000341618690 404071381 /nfs/dbraw/zinc/07/13/81/404071381.db2.gz TUXPCLRSZTYMHO-ZMSDIMECSA-N 1 3 322.497 2.033 20 0 DEADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000290182356 404071927 /nfs/dbraw/zinc/07/19/27/404071927.db2.gz PRAZRFJCDWVSHC-DOTOQJQBSA-N 1 3 321.440 2.104 20 0 DEADHO COc1ccc2c(c1)C[C@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)CO2 ZINC000296060778 404073822 /nfs/dbraw/zinc/07/38/22/404073822.db2.gz RPAVBEUIOCBUST-ZFWWWQNUSA-N 1 3 302.418 2.073 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000349188094 404132229 /nfs/dbraw/zinc/13/22/29/404132229.db2.gz KOMMOROYYIZWQC-IRXDYDNUSA-N 1 3 307.482 2.338 20 0 DEADHO CCS(=O)(=O)C[C@H](C)[NH2+]CCCCN1CCCC[C@H]1C ZINC000341756532 404153719 /nfs/dbraw/zinc/15/37/19/404153719.db2.gz DVSLAAITUHCVHM-LSDHHAIUSA-N 1 3 304.500 2.054 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)[C@H](C)NC1CC1)Cc1ccccc1 ZINC000296374238 404219297 /nfs/dbraw/zinc/21/92/97/404219297.db2.gz KBNVMSATEWNVTO-YJBOKZPZSA-N 1 3 317.477 2.196 20 0 DEADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)NC1CC1 ZINC000296428704 404243645 /nfs/dbraw/zinc/24/36/45/404243645.db2.gz NCLOWTWDHYVPGK-CQSZACIVSA-N 1 3 303.450 2.284 20 0 DEADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)NC1CC1 ZINC000296428704 404243649 /nfs/dbraw/zinc/24/36/49/404243649.db2.gz NCLOWTWDHYVPGK-CQSZACIVSA-N 1 3 303.450 2.284 20 0 DEADHO CC(C)OCC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000349887072 404246665 /nfs/dbraw/zinc/24/66/65/404246665.db2.gz YNLPYLUJQFGALF-JZXOWHBKSA-N 1 3 312.498 2.405 20 0 DEADHO CC(C)OCC[C@H](O)CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000349887072 404246674 /nfs/dbraw/zinc/24/66/74/404246674.db2.gz YNLPYLUJQFGALF-JZXOWHBKSA-N 1 3 312.498 2.405 20 0 DEADHO CC(C)OCC[C@H](O)CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000349887072 404246681 /nfs/dbraw/zinc/24/66/81/404246681.db2.gz YNLPYLUJQFGALF-JZXOWHBKSA-N 1 3 312.498 2.405 20 0 DEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCN(C)CC2)C1 ZINC000349937756 404266599 /nfs/dbraw/zinc/26/65/99/404266599.db2.gz ODAKEQSAGZTWNJ-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCN(C)CC2)C1 ZINC000349937756 404266604 /nfs/dbraw/zinc/26/66/04/404266604.db2.gz ODAKEQSAGZTWNJ-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000349959309 404274001 /nfs/dbraw/zinc/27/40/01/404274001.db2.gz IQAOHKOGSBTKGK-IAGOWNOFSA-N 1 3 324.513 2.280 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCC3(C)C)CC2)CC1 ZINC000344717351 404327156 /nfs/dbraw/zinc/32/71/56/404327156.db2.gz VCQKNSXJBIKUAO-INIZCTEOSA-N 1 3 322.497 2.033 20 0 DEADHO CC(C)[N@H+](C)CCNC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000344772399 404361016 /nfs/dbraw/zinc/36/10/16/404361016.db2.gz KMXXEYDUCGRIMU-UHFFFAOYSA-N 1 3 324.469 2.083 20 0 DEADHO CC(C)[N@@H+](C)CCNC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000344772399 404361022 /nfs/dbraw/zinc/36/10/22/404361022.db2.gz KMXXEYDUCGRIMU-UHFFFAOYSA-N 1 3 324.469 2.083 20 0 DEADHO CC(C)N1CCCN(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000356290575 404427299 /nfs/dbraw/zinc/42/72/99/404427299.db2.gz FYIWAPJUNVQOQC-QGZVFWFLSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)N1CCCN(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000356290575 404427307 /nfs/dbraw/zinc/42/73/07/404427307.db2.gz FYIWAPJUNVQOQC-QGZVFWFLSA-N 1 3 324.513 2.233 20 0 DEADHO [NH3+][C@@H]1CCC[C@H]2CN(CCC(=O)N3CCc4ccccc43)C[C@H]21 ZINC000342103262 404368886 /nfs/dbraw/zinc/36/88/86/404368886.db2.gz MNJUGRVQUAWXIB-GVDBMIGSSA-N 1 3 313.445 2.025 20 0 DEADHO C[C@@H](CN(C)C)NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000355860578 404373358 /nfs/dbraw/zinc/37/33/58/404373358.db2.gz MSPFBRSFOIRPBC-GOEBONIOSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H](CN(C)C)NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000355860578 404373364 /nfs/dbraw/zinc/37/33/64/404373364.db2.gz MSPFBRSFOIRPBC-GOEBONIOSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CCN1C ZINC000338575205 404412748 /nfs/dbraw/zinc/41/27/48/404412748.db2.gz YMHNNHKIEMXQRA-QAPCUYQASA-N 1 3 315.461 2.495 20 0 DEADHO CC(C)[C@H](CNC(=O)NCCN(C)C1CC1)[NH+]1CCCCCC1 ZINC000352656301 404519759 /nfs/dbraw/zinc/51/97/59/404519759.db2.gz MIXVJIQJNVLHNL-KRWDZBQOSA-N 1 3 324.513 2.280 20 0 DEADHO C[NH+](C)CCC1CCN(Cc2cnn(CC(F)F)c2)CC1 ZINC000350661526 404436208 /nfs/dbraw/zinc/43/62/08/404436208.db2.gz QWBMCCYANLXQRS-UHFFFAOYSA-N 1 3 300.397 2.312 20 0 DEADHO c1ccc(OCCCCCN2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000352535648 404442474 /nfs/dbraw/zinc/44/24/74/404442474.db2.gz TXBHEKYPZRFNNP-SFHVURJKSA-N 1 3 317.477 2.215 20 0 DEADHO CN(C)c1ncc(CNCCCCC[NH+]2CCCCC2)n1C ZINC000414343891 404584432 /nfs/dbraw/zinc/58/44/32/404584432.db2.gz BLLHRGNQNDQNKJ-UHFFFAOYSA-N 1 3 307.486 2.232 20 0 DEADHO C[C@H](Cn1cccn1)[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000345162432 404586911 /nfs/dbraw/zinc/58/69/11/404586911.db2.gz HQGDJYYNAAUNBZ-MRXNPFEDSA-N 1 3 316.449 2.044 20 0 DEADHO O=C(c1cccc(CN2CCCC2)c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000291933516 404587544 /nfs/dbraw/zinc/58/75/44/404587544.db2.gz CFFMYDFPTHUFOP-ZWKOTPCHSA-N 1 3 313.445 2.106 20 0 DEADHO Cn1cncc1CC[NH+]1CCN(c2ccnc3ccccc32)CC1 ZINC000297695731 404593644 /nfs/dbraw/zinc/59/36/44/404593644.db2.gz QBPXIXJBGQDHPS-UHFFFAOYSA-N 1 3 321.428 2.333 20 0 DEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000291878101 404563737 /nfs/dbraw/zinc/56/37/37/404563737.db2.gz LIIDCHZQENAWJC-KBMXLJTQSA-N 1 3 318.417 2.136 20 0 DEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000291878101 404563741 /nfs/dbraw/zinc/56/37/41/404563741.db2.gz LIIDCHZQENAWJC-KBMXLJTQSA-N 1 3 318.417 2.136 20 0 DEADHO C[C@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCCCCC1 ZINC000342519034 404629913 /nfs/dbraw/zinc/62/99/13/404629913.db2.gz YZCGDIVLSQHLPH-VPSFDDGASA-N 1 3 307.482 2.335 20 0 DEADHO C[C@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCCCCC1 ZINC000342519034 404629920 /nfs/dbraw/zinc/62/99/20/404629920.db2.gz YZCGDIVLSQHLPH-VPSFDDGASA-N 1 3 307.482 2.335 20 0 DEADHO Cc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414673875 404705113 /nfs/dbraw/zinc/70/51/13/404705113.db2.gz CZNKYKHLFHOBMD-FUHWJXTLSA-N 1 3 315.461 2.329 20 0 DEADHO Cc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414673875 404705115 /nfs/dbraw/zinc/70/51/15/404705115.db2.gz CZNKYKHLFHOBMD-FUHWJXTLSA-N 1 3 315.461 2.329 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2cccs2)C1 ZINC000414674261 404706240 /nfs/dbraw/zinc/70/62/40/404706240.db2.gz DLCZXKJZIAAANW-KBPBESRZSA-N 1 3 307.463 2.082 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]2c2cccs2)C1 ZINC000414674261 404706242 /nfs/dbraw/zinc/70/62/42/404706242.db2.gz DLCZXKJZIAAANW-KBPBESRZSA-N 1 3 307.463 2.082 20 0 DEADHO C[C@@H]1C[C@H](CN2CCN(CCOc3ccccc3)CC2)CC[NH2+]1 ZINC000414682499 404707156 /nfs/dbraw/zinc/70/71/56/404707156.db2.gz RHKVBPJBSUGYIC-QZTJIDSGSA-N 1 3 317.477 2.071 20 0 DEADHO COc1cc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc2c1OCO2 ZINC000414785649 404735025 /nfs/dbraw/zinc/73/50/25/404735025.db2.gz SWZDZELXUXULHH-GJZGRUSLSA-N 1 3 318.417 2.245 20 0 DEADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC(C)(C)N ZINC000414800695 404738595 /nfs/dbraw/zinc/73/85/95/404738595.db2.gz IFCHHAWODZIBIH-LBPRGKRZSA-N 1 3 311.857 2.404 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)C(N)C(F)(F)F)c1ccccc1 ZINC000353134375 404750720 /nfs/dbraw/zinc/75/07/20/404750720.db2.gz VMEJGDAFPNYVCY-CHWSQXEVSA-N 1 3 317.355 2.075 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)N(C)C ZINC000358108172 404753911 /nfs/dbraw/zinc/75/39/11/404753911.db2.gz VJWUIUVJZNDXTA-BFYDXBDKSA-N 1 3 309.498 2.342 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)N(C)C ZINC000358108172 404753917 /nfs/dbraw/zinc/75/39/17/404753917.db2.gz VJWUIUVJZNDXTA-BFYDXBDKSA-N 1 3 309.498 2.342 20 0 DEADHO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1=CCN(C)CC1 ZINC000358396181 404761577 /nfs/dbraw/zinc/76/15/77/404761577.db2.gz KQFAYKJWMUGGAQ-NVXWUHKLSA-N 1 3 319.493 2.408 20 0 DEADHO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1=CCN(C)CC1 ZINC000358396181 404761581 /nfs/dbraw/zinc/76/15/81/404761581.db2.gz KQFAYKJWMUGGAQ-NVXWUHKLSA-N 1 3 319.493 2.408 20 0 DEADHO COc1ccc(C[NH2+][C@@H](C)CN)cc1OCc1cccnc1 ZINC000414936223 404770462 /nfs/dbraw/zinc/77/04/62/404770462.db2.gz BTLPZICVCPAQRE-ZDUSSCGKSA-N 1 3 301.390 2.106 20 0 DEADHO CC[C@@H]1C[C@H](CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CCO1 ZINC000357003658 404724439 /nfs/dbraw/zinc/72/44/39/404724439.db2.gz ZQLARMLJKILJTN-GUDVDZBRSA-N 1 3 323.525 2.294 20 0 DEADHO CC[C@@H]1C[C@H](CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CCO1 ZINC000357003658 404724444 /nfs/dbraw/zinc/72/44/44/404724444.db2.gz ZQLARMLJKILJTN-GUDVDZBRSA-N 1 3 323.525 2.294 20 0 DEADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2scnc2C2CC2)CC1 ZINC000414766668 404728018 /nfs/dbraw/zinc/72/80/18/404728018.db2.gz FEGBCRQCNKAOAX-CJNGLKHVSA-N 1 3 307.463 2.349 20 0 DEADHO COC[C@]1(C[NH2+][C@H](C)CCc2ccc(OC)cc2)CCCN1 ZINC000414954704 404775547 /nfs/dbraw/zinc/77/55/47/404775547.db2.gz LWVMFHKWIUFEJX-CRAIPNDOSA-N 1 3 306.450 2.375 20 0 DEADHO COc1cc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc(OC)c1OC ZINC000415007644 404787084 /nfs/dbraw/zinc/78/70/84/404787084.db2.gz LXOKLIAMUOJPOP-LSDHHAIUSA-N 1 3 320.433 2.190 20 0 DEADHO C[C@@H](CCC[NH3+])NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000415024397 404790231 /nfs/dbraw/zinc/79/02/31/404790231.db2.gz OYFUVLUMTHLIDO-JTQLQIEISA-N 1 3 311.792 2.277 20 0 DEADHO CC(C)N1CCc2nc(CN[C@@H]3CC[C@H](C[NH3+])C3)sc2C1 ZINC000415040740 404794355 /nfs/dbraw/zinc/79/43/55/404794355.db2.gz PHIIKHCYMMMBRD-QWHCGFSZSA-N 1 3 308.495 2.127 20 0 DEADHO CC[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccc(C)cc1 ZINC000415081379 404803119 /nfs/dbraw/zinc/80/31/19/404803119.db2.gz MUHCHQPRKBXAHF-RDJZCZTQSA-N 1 3 303.450 2.233 20 0 DEADHO COc1cccc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000415135980 404816435 /nfs/dbraw/zinc/81/64/35/404816435.db2.gz WWWCJJGAHDXYJR-MSOLQXFVSA-N 1 3 304.434 2.414 20 0 DEADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc(CN(C)C)c1 ZINC000376394150 404820427 /nfs/dbraw/zinc/82/04/27/404820427.db2.gz FTMJDBAUSBVYMB-QAPCUYQASA-N 1 3 315.461 2.447 20 0 DEADHO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N1CCCN(C2CCCC2)CC1 ZINC000353448441 404833924 /nfs/dbraw/zinc/83/39/24/404833924.db2.gz MNNSDDMOUIQWPF-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO O=C(Nc1cccc(CN2CCCCC2)c1)[C@@]1(F)CC[NH2+]C1 ZINC000378201358 404890620 /nfs/dbraw/zinc/89/06/20/404890620.db2.gz IOUMZEXKLVCTKL-QGZVFWFLSA-N 1 3 305.397 2.313 20 0 DEADHO CN(CCN1CCCC1)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000353500864 404849390 /nfs/dbraw/zinc/84/93/90/404849390.db2.gz KYZOLEWPENVAEP-UHFFFAOYSA-N 1 3 324.513 2.378 20 0 DEADHO C[C@@H]([NH2+]C[C@@H](CO)C1CC1)c1ccc(OCCN(C)C)cc1 ZINC000353509032 404852404 /nfs/dbraw/zinc/85/24/04/404852404.db2.gz IMRIWZKJGOBEJC-PBHICJAKSA-N 1 3 306.450 2.296 20 0 DEADHO O=C(NC1CC[NH+](C2CCCC2)CC1)C12CCCN1CCC2 ZINC000377953640 404853353 /nfs/dbraw/zinc/85/33/53/404853353.db2.gz OTQVSSHIZXYDON-UHFFFAOYSA-N 1 3 305.466 2.138 20 0 DEADHO C[C@@H]1CC[C@@H]([NH2+]CC(=O)NCCN2CCCCCC2)[C@H](C)C1 ZINC000353668836 404911184 /nfs/dbraw/zinc/91/11/84/404911184.db2.gz BAPJUYJDFKRXMQ-BRWVUGGUSA-N 1 3 309.498 2.393 20 0 DEADHO CC[C@H](N)C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423903672 404921223 /nfs/dbraw/zinc/92/12/23/404921223.db2.gz NKTKGMDQEJPUOA-UAGQMJEPSA-N 1 3 303.450 2.141 20 0 DEADHO CC[C@H](N)C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423903672 404921228 /nfs/dbraw/zinc/92/12/28/404921228.db2.gz NKTKGMDQEJPUOA-UAGQMJEPSA-N 1 3 303.450 2.141 20 0 DEADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCC(C)(C)N1CCCCC1 ZINC000416834285 404927987 /nfs/dbraw/zinc/92/79/87/404927987.db2.gz RZFGFRQSFHHXGU-HUUCEWRRSA-N 1 3 310.486 2.162 20 0 DEADHO CCN(CC)[C@H](CNC(=O)NC(C)(C)C[NH3+])c1ccccc1 ZINC000416837963 404929449 /nfs/dbraw/zinc/92/94/49/404929449.db2.gz IILSELZQJDZXJT-OAHLLOKOSA-N 1 3 306.454 2.106 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N1C[C@@H](C)[C@H]([NH3+])C1)c1ccccc1 ZINC000416840843 404930882 /nfs/dbraw/zinc/93/08/82/404930882.db2.gz LJOKIPQLCPQCFY-DJIMGWMZSA-N 1 3 318.465 2.058 20 0 DEADHO C[C@H]1CCN(C(=O)NCc2ccc(CN(C)C)cc2)[C@H](C[NH3+])C1 ZINC000416888330 404951191 /nfs/dbraw/zinc/95/11/91/404951191.db2.gz OORYQTBCZJSMBW-YOEHRIQHSA-N 1 3 318.465 2.017 20 0 DEADHO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc2c(c1)CNC2 ZINC000416003640 405003732 /nfs/dbraw/zinc/00/37/32/405003732.db2.gz FVMQNEAJRHQLEI-UHFFFAOYSA-N 1 3 304.438 2.485 20 0 DEADHO CCO[C@@H]1CC[N@H+](CCCN2CCN(C(C)C)CC2)C[C@H]1C ZINC000451548258 405011240 /nfs/dbraw/zinc/01/12/40/405011240.db2.gz UYMFGHSLPRRBPW-QZTJIDSGSA-N 1 3 311.514 2.149 20 0 DEADHO CCO[C@@H]1CC[N@@H+](CCCN2CCN(C(C)C)CC2)C[C@H]1C ZINC000451548258 405011245 /nfs/dbraw/zinc/01/12/45/405011245.db2.gz UYMFGHSLPRRBPW-QZTJIDSGSA-N 1 3 311.514 2.149 20 0 DEADHO N[C@@H]1C[C@@H]1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000424153598 405024260 /nfs/dbraw/zinc/02/42/60/405024260.db2.gz KMESEKFRFDRVIJ-DLBZAZTESA-N 1 3 301.434 2.026 20 0 DEADHO CCN(C(=O)[C@@H]1C[C@@H]1[NH3+])[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000424157627 405025114 /nfs/dbraw/zinc/02/51/14/405025114.db2.gz QBTMQHBPUOIEFD-SVGFKBNWSA-N 1 3 301.434 2.018 20 0 DEADHO C[C@H](CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)N(C)C1CC1 ZINC000435926793 405028757 /nfs/dbraw/zinc/02/87/57/405028757.db2.gz KTOBENRIAWRQFK-PBHICJAKSA-N 1 3 303.450 2.278 20 0 DEADHO C[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccc(OCCN(C)C)cc1 ZINC000361345814 405031545 /nfs/dbraw/zinc/03/15/45/405031545.db2.gz KVQQVKRBZODJLM-RDTXWAMCSA-N 1 3 306.450 2.439 20 0 DEADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000415926133 404973791 /nfs/dbraw/zinc/97/37/91/404973791.db2.gz YUCTUCRCWOJTBM-HIFRSBDPSA-N 1 3 304.438 2.400 20 0 DEADHO C[NH2+][C@H]1CCN(Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000435375881 404975532 /nfs/dbraw/zinc/97/55/32/404975532.db2.gz OODFQBYXHOKTNT-KRWDZBQOSA-N 1 3 316.493 2.011 20 0 DEADHO C[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1cccc(OCCN(C)C)c1 ZINC000361351221 405035243 /nfs/dbraw/zinc/03/52/43/405035243.db2.gz KNKXBMMWJNAIGC-KDOFPFPSSA-N 1 3 306.450 2.439 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000424039190 404979504 /nfs/dbraw/zinc/97/95/04/404979504.db2.gz JONKPIZLDDZMJP-VBQJREDUSA-N 1 3 307.482 2.096 20 0 DEADHO COC1CCN(C2(C[NH2+][C@@H]3CCN(C)C[C@@H]3C)CCCC2)CC1 ZINC000361232355 404985120 /nfs/dbraw/zinc/98/51/20/404985120.db2.gz NIENDXBFHRLFNQ-FUHWJXTLSA-N 1 3 323.525 2.340 20 0 DEADHO C[C@@H](CN(C)C)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415977588 404992437 /nfs/dbraw/zinc/99/24/37/404992437.db2.gz WSEQCPINCRETKV-VIFPVBQESA-N 1 3 318.343 2.236 20 0 DEADHO CCN(CC)[C@H](CNC(=O)NC1CC[NH2+]CC1)c1ccsc1 ZINC000417007475 404997742 /nfs/dbraw/zinc/99/77/42/404997742.db2.gz KWTIATILYOIDAO-OAHLLOKOSA-N 1 3 324.494 2.182 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N[C@H](C[NH3+])C1CC1)c1ccsc1 ZINC000417008743 404999292 /nfs/dbraw/zinc/99/92/92/404999292.db2.gz MNQLSGWALKXQEX-HUUCEWRRSA-N 1 3 324.494 2.168 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000415995182 405000724 /nfs/dbraw/zinc/00/07/24/405000724.db2.gz KAJASZDYCKJLEB-CQSZACIVSA-N 1 3 316.449 2.485 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000415995182 405000725 /nfs/dbraw/zinc/00/07/25/405000725.db2.gz KAJASZDYCKJLEB-CQSZACIVSA-N 1 3 316.449 2.485 20 0 DEADHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc2c(c1)CNC2 ZINC000415996389 405000974 /nfs/dbraw/zinc/00/09/74/405000974.db2.gz MPYPDVKWNFOONH-SJORKVTESA-N 1 3 314.433 2.380 20 0 DEADHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccc2c(c1)CNC2 ZINC000415996389 405000981 /nfs/dbraw/zinc/00/09/81/405000981.db2.gz MPYPDVKWNFOONH-SJORKVTESA-N 1 3 314.433 2.380 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000389911113 405040854 /nfs/dbraw/zinc/04/08/54/405040854.db2.gz JJFAQTHDQGSEDQ-FZCLSBEQSA-N 1 3 315.461 2.011 20 0 DEADHO C[C@H](C(=O)NCC(C)(C)C[NH+]1CCCC1)N1[C@H](C)CC[C@H]1C ZINC000361386816 405051027 /nfs/dbraw/zinc/05/10/27/405051027.db2.gz PDGKXBNDNSTNES-BZUAXINKSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H]1[C@H](NC(=O)C[C@H](c2ccccc2)[NH+](C)C)CCCN1C ZINC000416198342 405054209 /nfs/dbraw/zinc/05/42/09/405054209.db2.gz JVUZGBZGSYVHFB-DJIMGWMZSA-N 1 3 303.450 2.278 20 0 DEADHO CC[C@@H]1CCCCN1C(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424295935 405060628 /nfs/dbraw/zinc/06/06/28/405060628.db2.gz RRMBKVQNOMQGJW-HZPDHXFCSA-N 1 3 307.482 2.242 20 0 DEADHO CC[C@H]1CCCCN1C(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424295930 405061777 /nfs/dbraw/zinc/06/17/77/405061777.db2.gz RRMBKVQNOMQGJW-CVEARBPZSA-N 1 3 307.482 2.242 20 0 DEADHO COc1ccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000436242765 405062254 /nfs/dbraw/zinc/06/22/54/405062254.db2.gz ORGPZCALADLMHF-GJZGRUSLSA-N 1 3 307.438 2.069 20 0 DEADHO C[C@@H]1C[C@H](NCCNC(=O)CCCc2ccccc2)CC[N@@H+]1C ZINC000424323981 405068719 /nfs/dbraw/zinc/06/87/19/405068719.db2.gz LCGUFYUAPRINCR-SJLPKXTDSA-N 1 3 317.477 2.198 20 0 DEADHO C[C@@H]1C[C@H](NCCNC(=O)CCCc2ccccc2)CC[N@H+]1C ZINC000424323981 405068725 /nfs/dbraw/zinc/06/87/25/405068725.db2.gz LCGUFYUAPRINCR-SJLPKXTDSA-N 1 3 317.477 2.198 20 0 DEADHO COc1cc(CN2CC3(C[C@H]2C)CC[NH2+]CC3)cc(OC)c1O ZINC000424375470 405077162 /nfs/dbraw/zinc/07/71/62/405077162.db2.gz JWBBRUPMUSSNCL-CYBMUJFWSA-N 1 3 320.433 2.373 20 0 DEADHO CCOC(=O)c1ccc(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)o1 ZINC000424381558 405079276 /nfs/dbraw/zinc/07/92/76/405079276.db2.gz RBWSFRCUCITKFQ-ZDUSSCGKSA-N 1 3 306.406 2.420 20 0 DEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000361456287 405082480 /nfs/dbraw/zinc/08/24/80/405082480.db2.gz GSSSQRVKSABQEO-OAGGEKHMSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@H](CNC(=O)NCC1([NH3+])CCCCC1)N1CCC(C)CC1 ZINC000417300725 405086523 /nfs/dbraw/zinc/08/65/23/405086523.db2.gz AVUQDFCHHNAWIF-OAHLLOKOSA-N 1 3 310.486 2.068 20 0 DEADHO CCOC[C@H]1CCC[C@@H]1[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000354186315 405087658 /nfs/dbraw/zinc/08/76/58/405087658.db2.gz FOSOWVJENXWCFG-APWZRJJASA-N 1 3 323.525 2.340 20 0 DEADHO C[C@H](CNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1)N(C)C1CC1 ZINC000417549187 405092622 /nfs/dbraw/zinc/09/26/22/405092622.db2.gz JGUTZSYOFMCBFP-VYDXJSESSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H]1[C@H](NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CCCN1C ZINC000418012732 405109325 /nfs/dbraw/zinc/10/93/25/405109325.db2.gz YFAUSCIMJQVTQK-YYIAUSFCSA-N 1 3 322.497 2.033 20 0 DEADHO C[C@@H](NC(=O)NCC[C@H]1CCC[NH2+]1)[C@@H](c1ccccc1)N(C)C ZINC000418183600 405116374 /nfs/dbraw/zinc/11/63/74/405116374.db2.gz OMMSJUHNPQVBHV-OIISXLGYSA-N 1 3 318.465 2.119 20 0 DEADHO CCCN1CCC[C@H]1CNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000418175402 405116635 /nfs/dbraw/zinc/11/66/35/405116635.db2.gz ARLDYNMVXOKNKT-IRXDYDNUSA-N 1 3 322.497 2.034 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000418606569 405136990 /nfs/dbraw/zinc/13/69/90/405136990.db2.gz QHQMSPSTOICCAQ-SJORKVTESA-N 1 3 324.513 2.425 20 0 DEADHO CC(C)[C@@H](C(=O)NC1CC[NH+](C(C)C)CC1)N1CCCCC1 ZINC000354325660 405159162 /nfs/dbraw/zinc/15/91/62/405159162.db2.gz WOJSMCQWBSGZGQ-KRWDZBQOSA-N 1 3 309.498 2.486 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000418657814 405154900 /nfs/dbraw/zinc/15/49/00/405154900.db2.gz UZJVGLVHFVTLNN-IAGOWNOFSA-N 1 3 320.481 2.264 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCN(C2CC2)C[C@@H](C)C1)[NH+]1CCCCC1 ZINC000452567453 405208120 /nfs/dbraw/zinc/20/81/20/405208120.db2.gz DACVYCOFUAYKJA-AEFFLSMTSA-N 1 3 321.509 2.440 20 0 DEADHO C(CN1CCC(OCC[NH+]2CCCC2)CC1)OCC1CCC1 ZINC000419201442 405228104 /nfs/dbraw/zinc/22/81/04/405228104.db2.gz CELZLRBEMCTVJN-UHFFFAOYSA-N 1 3 310.482 2.380 20 0 DEADHO CCN(CC)CC(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000452735870 405235783 /nfs/dbraw/zinc/23/57/83/405235783.db2.gz YKDMDZXFNRVGFI-UHFFFAOYSA-N 1 3 317.477 2.499 20 0 DEADHO CCN(CC)CC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000452735870 405235787 /nfs/dbraw/zinc/23/57/87/405235787.db2.gz YKDMDZXFNRVGFI-UHFFFAOYSA-N 1 3 317.477 2.499 20 0 DEADHO CN(CC1([NH+](C)C)CCC1)C(=O)[C@H]1CCCN1C1CCCC1 ZINC000438606843 405252341 /nfs/dbraw/zinc/25/23/41/405252341.db2.gz YVUQDOMKMTYTBP-MRXNPFEDSA-N 1 3 307.482 2.336 20 0 DEADHO Cc1cccc(C(=O)N2CCCN(CC[C@H]3CC[NH2+]C3)CC2)c1 ZINC000420298729 405310570 /nfs/dbraw/zinc/31/05/70/405310570.db2.gz FYDCZHVCHMDDLI-QGZVFWFLSA-N 1 3 315.461 2.143 20 0 DEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000420299825 405310799 /nfs/dbraw/zinc/31/07/99/405310799.db2.gz JLVOZXBLOUQMTA-XWTMOSNGSA-N 1 3 320.502 2.277 20 0 DEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000420299825 405310802 /nfs/dbraw/zinc/31/08/02/405310802.db2.gz JLVOZXBLOUQMTA-XWTMOSNGSA-N 1 3 320.502 2.277 20 0 DEADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCS[C@@H]2CCCC[C@H]21 ZINC000420299825 405310804 /nfs/dbraw/zinc/31/08/04/405310804.db2.gz JLVOZXBLOUQMTA-XWTMOSNGSA-N 1 3 320.502 2.277 20 0 DEADHO C[C@@H]([NH3+])C1CCN([C@@H](C)C(=O)N2CCc3ccccc3C2)CC1 ZINC000420302137 405311641 /nfs/dbraw/zinc/31/16/41/405311641.db2.gz WHAJYOYSNIMGNV-CABCVRRESA-N 1 3 315.461 2.019 20 0 DEADHO CN(CC[C@H]1CC[NH2+]C1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000420305536 405312287 /nfs/dbraw/zinc/31/22/87/405312287.db2.gz PNRTVRKAAMISNZ-CJNGLKHVSA-N 1 3 321.852 2.377 20 0 DEADHO COC(=O)CCN1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000420316540 405316825 /nfs/dbraw/zinc/31/68/25/405316825.db2.gz SXTGSVADPLXNOJ-IRXDYDNUSA-N 1 3 304.434 2.222 20 0 DEADHO COC(=O)CC[N@@H+]1CCCC[C@H]1[C@H](CN)Cc1ccccc1 ZINC000420316540 405316827 /nfs/dbraw/zinc/31/68/27/405316827.db2.gz SXTGSVADPLXNOJ-IRXDYDNUSA-N 1 3 304.434 2.222 20 0 DEADHO COC(=O)CC[N@H+]1CCCC[C@H]1[C@H](CN)Cc1ccccc1 ZINC000420316540 405316829 /nfs/dbraw/zinc/31/68/29/405316829.db2.gz SXTGSVADPLXNOJ-IRXDYDNUSA-N 1 3 304.434 2.222 20 0 DEADHO CCCN(CC[C@@H]1CC[NH2+]C1)CC(=O)Nc1ccccc1OC ZINC000420315941 405317134 /nfs/dbraw/zinc/31/71/34/405317134.db2.gz LYZCIVWJQSQJDX-HNNXBMFYSA-N 1 3 319.449 2.345 20 0 DEADHO COc1ccccc1CN1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420325430 405320242 /nfs/dbraw/zinc/32/02/42/405320242.db2.gz WKNPHPZFZXXNMA-KRWDZBQOSA-N 1 3 317.477 2.203 20 0 DEADHO CN(C)C(=O)c1cccc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420333097 405323408 /nfs/dbraw/zinc/32/34/08/405323408.db2.gz SKTAORKEALKTHB-ZWKOTPCHSA-N 1 3 315.461 2.210 20 0 DEADHO Cc1cccc(C)c1OCCN1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420339861 405324831 /nfs/dbraw/zinc/32/48/31/405324831.db2.gz ZBGYUWSXBBTNOV-KRWDZBQOSA-N 1 3 318.461 2.370 20 0 DEADHO Cc1nc(N2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)sc1C ZINC000420356177 405329636 /nfs/dbraw/zinc/32/96/36/405329636.db2.gz FZGFNCLRDCHRAW-HNNXBMFYSA-N 1 3 308.495 2.272 20 0 DEADHO COCC1(C)CCN(C[C@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000420368215 405334882 /nfs/dbraw/zinc/33/48/82/405334882.db2.gz HQIKVXPEWUYCKB-INIZCTEOSA-N 1 3 306.450 2.486 20 0 DEADHO c1ccc2c(c1)cncc2N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000420374506 405337033 /nfs/dbraw/zinc/33/70/33/405337033.db2.gz NWUXFXZXIIRFAC-MRXNPFEDSA-N 1 3 310.445 2.356 20 0 DEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000439781319 405292376 /nfs/dbraw/zinc/29/23/76/405292376.db2.gz JILZCQDFRQTEOZ-AEFFLSMTSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000439781319 405292378 /nfs/dbraw/zinc/29/23/78/405292378.db2.gz JILZCQDFRQTEOZ-AEFFLSMTSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000420789805 405384911 /nfs/dbraw/zinc/38/49/11/405384911.db2.gz YGNNJISMJXCABO-DLBZAZTESA-N 1 3 324.513 2.234 20 0 DEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000420789805 405384914 /nfs/dbraw/zinc/38/49/14/405384914.db2.gz YGNNJISMJXCABO-DLBZAZTESA-N 1 3 324.513 2.234 20 0 DEADHO CCN1CCC([N@@H+]2CCCN([C@@H](C)c3cnccn3)CC2)CC1 ZINC000420974026 405418809 /nfs/dbraw/zinc/41/88/09/405418809.db2.gz DCUNCXSMQKWVTA-INIZCTEOSA-N 1 3 317.481 2.030 20 0 DEADHO CCN1CCC([N@H+]2CCCN([C@@H](C)c3cnccn3)CC2)CC1 ZINC000420974026 405418811 /nfs/dbraw/zinc/41/88/11/405418811.db2.gz DCUNCXSMQKWVTA-INIZCTEOSA-N 1 3 317.481 2.030 20 0 DEADHO CC[NH+]1CCC(N2CCCN([C@@H](C)c3cnccn3)CC2)CC1 ZINC000420974026 405418813 /nfs/dbraw/zinc/41/88/13/405418813.db2.gz DCUNCXSMQKWVTA-INIZCTEOSA-N 1 3 317.481 2.030 20 0 DEADHO CC[C@@H]1CCC[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000448838740 405454493 /nfs/dbraw/zinc/45/44/93/405454493.db2.gz WZCYMHOMZSPHHP-CRAIPNDOSA-N 1 3 321.509 2.488 20 0 DEADHO CN1CCC(NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000455850047 405455962 /nfs/dbraw/zinc/45/59/62/405455962.db2.gz DHDWWWALOGSCNN-KRWDZBQOSA-N 1 3 316.449 2.451 20 0 DEADHO CC[NH2+]CC1CCN(Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000430557122 405456660 /nfs/dbraw/zinc/45/66/60/405456660.db2.gz MVXNSVQRFMZADL-UHFFFAOYSA-N 1 3 303.450 2.210 20 0 DEADHO CCCN(Cc1ccc(C)cc1)C(=O)CN1CCC(C[NH3+])CC1 ZINC000430603252 405465135 /nfs/dbraw/zinc/46/51/35/405465135.db2.gz JMOQNABMSFQYJJ-UHFFFAOYSA-N 1 3 317.477 2.404 20 0 DEADHO C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CCC(C[NH3+])CC1 ZINC000430635900 405474525 /nfs/dbraw/zinc/47/45/25/405474525.db2.gz WXWDAZHTYPHRBO-LBPRGKRZSA-N 1 3 309.841 2.015 20 0 DEADHO Cc1cc(N2CCC(N[C@@H](C)C[C@H]3CCC[NH2+]3)CC2)nc(C)n1 ZINC000577601258 405476933 /nfs/dbraw/zinc/47/69/33/405476933.db2.gz NTHHRCDROXAFJQ-SUMWQHHRSA-N 1 3 317.481 2.182 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCCC[C@H]1C ZINC000430739845 405500576 /nfs/dbraw/zinc/50/05/76/405500576.db2.gz AMSYWSUWUAYZCZ-UUAJXVIYSA-N 1 3 307.482 2.286 20 0 DEADHO C[NH2+]C[C@](C)(O)CN1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000577759512 405510195 /nfs/dbraw/zinc/51/01/95/405510195.db2.gz KQDNGGUCLZZEHY-KDOFPFPSSA-N 1 3 316.449 2.021 20 0 DEADHO C[NH2+]C[C@](C)(O)CN1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000577759512 405510198 /nfs/dbraw/zinc/51/01/98/405510198.db2.gz KQDNGGUCLZZEHY-KDOFPFPSSA-N 1 3 316.449 2.021 20 0 DEADHO C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)C1=CCN(C)CC1 ZINC000458644462 405520446 /nfs/dbraw/zinc/52/04/46/405520446.db2.gz XPJYDVSUBHOYRA-CQSZACIVSA-N 1 3 310.486 2.056 20 0 DEADHO CC(C)N1CC[C@@H](N(C)C(=O)N[C@H](C)C[NH+]2CCCCCC2)C1 ZINC000458652525 405523979 /nfs/dbraw/zinc/52/39/79/405523979.db2.gz KEJPNXURUMMXFO-IAGOWNOFSA-N 1 3 324.513 2.375 20 0 DEADHO C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000556779606 405531546 /nfs/dbraw/zinc/53/15/46/405531546.db2.gz DIRKHMUINWAWNW-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO C[N@H+]1CCC[C@@H](CCNC(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000556779606 405531554 /nfs/dbraw/zinc/53/15/54/405531554.db2.gz DIRKHMUINWAWNW-INIZCTEOSA-N 1 3 324.513 2.234 20 0 DEADHO OCCCN1CCC[C@H]1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000449387665 405537582 /nfs/dbraw/zinc/53/75/82/405537582.db2.gz MLILONFUYFVEHJ-IBGZPJMESA-N 1 3 323.525 2.220 20 0 DEADHO CN(Cc1ccccc1)C1(CNC(=O)/C=C\C[NH+](C)C)CCC1 ZINC000493420803 405538831 /nfs/dbraw/zinc/53/88/31/405538831.db2.gz OKPVRSSUDLUAFV-XFFZJAGNSA-N 1 3 315.461 2.275 20 0 DEADHO O=C(NC1CC1)[C@H](c1ccccc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431044579 405565866 /nfs/dbraw/zinc/56/58/66/405565866.db2.gz WXRWXOLZMYGUQO-KRWDZBQOSA-N 1 3 313.445 2.082 20 0 DEADHO C[N@@H+]1CCC[C@H](CCNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000458699784 405548369 /nfs/dbraw/zinc/54/83/69/405548369.db2.gz CTCDUXXUTJCQCA-NVXWUHKLSA-N 1 3 322.497 2.034 20 0 DEADHO C[N@H+]1CCC[C@H](CCNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000458699784 405548375 /nfs/dbraw/zinc/54/83/75/405548375.db2.gz CTCDUXXUTJCQCA-NVXWUHKLSA-N 1 3 322.497 2.034 20 0 DEADHO COc1cc(CN2CCC3(CC[NH2+]C3)CC2)cc2c1OCCO2 ZINC000430965617 405552189 /nfs/dbraw/zinc/55/21/89/405552189.db2.gz LQOSJYIUGHWAGT-UHFFFAOYSA-N 1 3 318.417 2.042 20 0 DEADHO CCN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CCN1C1CCCC1 ZINC000635851357 405554591 /nfs/dbraw/zinc/55/45/91/405554591.db2.gz CUOKFKOYHVIUNZ-KRWDZBQOSA-N 1 3 307.482 2.338 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(C)(C)C3)CC2)CC1 ZINC000557630424 405614601 /nfs/dbraw/zinc/61/46/01/405614601.db2.gz FIRSIEQTGSDVGS-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H](C)N[C@@H](CNC(=O)NC(C)(C)C[NH+](C)C)c1ccco1 ZINC000458776428 405585094 /nfs/dbraw/zinc/58/50/94/405585094.db2.gz RZZDIBQKKXNPBA-KGLIPLIRSA-N 1 3 324.469 2.348 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000458810357 405603857 /nfs/dbraw/zinc/60/38/57/405603857.db2.gz KGHUXPGJCHJJAI-HOTGVXAUSA-N 1 3 324.513 2.233 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000458810357 405603860 /nfs/dbraw/zinc/60/38/60/405603860.db2.gz KGHUXPGJCHJJAI-HOTGVXAUSA-N 1 3 324.513 2.233 20 0 DEADHO CN(C)C(=O)[C@@H]1CCC[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000422745145 405679180 /nfs/dbraw/zinc/67/91/80/405679180.db2.gz UPGSUFWFGUNMMQ-DLTLXFJOSA-N 1 3 301.434 2.368 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000580713823 405672044 /nfs/dbraw/zinc/67/20/44/405672044.db2.gz ABVBFNLJVLYZEB-IAGOWNOFSA-N 1 3 321.509 2.486 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@H]1NCC(C)(C)N1CCc2ccccc2C1 ZINC000422702205 405675642 /nfs/dbraw/zinc/67/56/42/405675642.db2.gz KFLCQEFDRASZOF-CRAIPNDOSA-N 1 3 301.478 2.411 20 0 DEADHO C[C@@H]1CCNC[C@H]1[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000422702205 405675650 /nfs/dbraw/zinc/67/56/50/405675650.db2.gz KFLCQEFDRASZOF-CRAIPNDOSA-N 1 3 301.478 2.411 20 0 DEADHO CCC[NH+](CCC)CCCC(=O)N[C@H]1CNCCC1(F)F ZINC000449669005 405676977 /nfs/dbraw/zinc/67/69/77/405676977.db2.gz UTQMBJFFJWDAIT-ZDUSSCGKSA-N 1 3 305.413 2.002 20 0 DEADHO CO[C@@]1(CNCC[C@H](C)[N@H+](C)Cc2ccccc2)CCOC1 ZINC000638725331 405636030 /nfs/dbraw/zinc/63/60/30/405636030.db2.gz DNBXIWIKWUKNLC-FUHWJXTLSA-N 1 3 306.450 2.292 20 0 DEADHO CO[C@@]1(CNCC[C@H](C)[N@@H+](C)Cc2ccccc2)CCOC1 ZINC000638725331 405636037 /nfs/dbraw/zinc/63/60/37/405636037.db2.gz DNBXIWIKWUKNLC-FUHWJXTLSA-N 1 3 306.450 2.292 20 0 DEADHO CC[C@H](CN[C@H]1C[NH2+]CC[C@H]1C)N1CCc2ccccc2C1 ZINC000422807047 405684360 /nfs/dbraw/zinc/68/43/60/405684360.db2.gz LUJWAVGFUULQCS-LZQZEXGQSA-N 1 3 301.478 2.411 20 0 DEADHO CC[C@H](C[NH2+][C@H]1CNCC[C@H]1C)N1CCc2ccccc2C1 ZINC000422807047 405684366 /nfs/dbraw/zinc/68/43/66/405684366.db2.gz LUJWAVGFUULQCS-LZQZEXGQSA-N 1 3 301.478 2.411 20 0 DEADHO C[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)[C@@H]1CCCCN1 ZINC000423073319 405699611 /nfs/dbraw/zinc/69/96/11/405699611.db2.gz INUCPKYHWBUOBP-HNONPPJISA-N 1 3 306.425 2.412 20 0 DEADHO C[C@H](C[NH3+])C(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000638831356 405700954 /nfs/dbraw/zinc/70/09/54/405700954.db2.gz ZZZAVYXHXBUZED-MFKMUULPSA-N 1 3 317.355 2.019 20 0 DEADHO CC[C@@H](N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)[C@H]1CCCC[NH2+]1 ZINC000423106522 405702102 /nfs/dbraw/zinc/70/21/02/405702102.db2.gz ZXJSBJXIPFWXQD-YYIAUSFCSA-N 1 3 307.482 2.288 20 0 DEADHO C[C@H](C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)[C@@H](N)c1ccccc1 ZINC000449689839 405694124 /nfs/dbraw/zinc/69/41/24/405694124.db2.gz LWBDHQAXYYTRCK-LEUOFYLZSA-N 1 3 315.461 2.171 20 0 DEADHO C[NH2+]CCC(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000638828809 405697457 /nfs/dbraw/zinc/69/74/57/405697457.db2.gz GXQGPKGOZZHFPH-CYBMUJFWSA-N 1 3 317.355 2.034 20 0 DEADHO CO[C@@]1(CNCc2cccc(C[NH+]3CCCC3)c2)CCOC1 ZINC000638850514 405713304 /nfs/dbraw/zinc/71/33/04/405713304.db2.gz PMZQBRQMBOLLNE-GOSISDBHSA-N 1 3 304.434 2.178 20 0 DEADHO CCC[C@](C)(N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000638836158 405703807 /nfs/dbraw/zinc/70/38/07/405703807.db2.gz QUKLKTYNWDGJLJ-AYBZRNKSSA-N 1 3 317.477 2.388 20 0 DEADHO CCC[C@](C)(N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000638836158 405703813 /nfs/dbraw/zinc/70/38/13/405703813.db2.gz QUKLKTYNWDGJLJ-AYBZRNKSSA-N 1 3 317.477 2.388 20 0 DEADHO CCOC(=O)C1([C@H](C)NCc2ccc(C)c(C)n2)CC[NH2+]CC1 ZINC000423166114 405708251 /nfs/dbraw/zinc/70/82/51/405708251.db2.gz CHFAUWUPQYZQMN-HNNXBMFYSA-N 1 3 319.449 2.109 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC(C)(N3CCOCC3)CC2)C1 ZINC000528727441 405726260 /nfs/dbraw/zinc/72/62/60/405726260.db2.gz FHRNZKDPHWFLAX-HDICACEKSA-N 1 3 323.525 2.151 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC(C)(N3CCOCC3)CC2)C1 ZINC000528727441 405726265 /nfs/dbraw/zinc/72/62/65/405726265.db2.gz FHRNZKDPHWFLAX-HDICACEKSA-N 1 3 323.525 2.151 20 0 DEADHO O=C(CC[C@@H]1CCC[NH2+]1)NCCCN1CCc2ccccc2C1 ZINC000494655397 405738207 /nfs/dbraw/zinc/73/82/07/405738207.db2.gz QFLMGKXHSQTOEW-SFHVURJKSA-N 1 3 315.461 2.083 20 0 DEADHO O=C(CC[C@H]1CCC[NH2+]1)N1CCN(CC2CCCCC2)CC1 ZINC000494655891 405738748 /nfs/dbraw/zinc/73/87/48/405738748.db2.gz MEPQTXZZWQEDJZ-QGZVFWFLSA-N 1 3 307.482 2.243 20 0 DEADHO CCN1CCC(n2nccc2NC(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000494702584 405751240 /nfs/dbraw/zinc/75/12/40/405751240.db2.gz JMKPBXGHIOCZKQ-CQSZACIVSA-N 1 3 319.453 2.011 20 0 DEADHO C[C@H](O)[C@H](C)[NH2+]CCCOC1CCN(Cc2ccccc2)CC1 ZINC000583560038 405759176 /nfs/dbraw/zinc/75/91/76/405759176.db2.gz SFAPECFRLOHTHK-IRXDYDNUSA-N 1 3 320.477 2.417 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@H]([NH3+])C2CCC2)N2CCCC2)cc1 ZINC000423362394 405776184 /nfs/dbraw/zinc/77/61/84/405776184.db2.gz SYQZKCPBZPQBHE-QZTJIDSGSA-N 1 3 315.461 2.376 20 0 DEADHO CC(=O)NCCc1ccc([C@H](C)[NH2+][C@H]2CCN[C@@H](C)C2)cc1 ZINC000423363693 405778875 /nfs/dbraw/zinc/77/88/75/405778875.db2.gz ATKYYCOYFCLBRY-DEYYWGMASA-N 1 3 303.450 2.156 20 0 DEADHO C[C@@H](NCC[C@H]1CCC[NH2+]1)c1cccc(OCCN(C)C)c1 ZINC000423378799 405782832 /nfs/dbraw/zinc/78/28/32/405782832.db2.gz ZYELVTZODWEXOI-NVXWUHKLSA-N 1 3 305.466 2.420 20 0 DEADHO C[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(F)c1 ZINC000423384827 405785494 /nfs/dbraw/zinc/78/54/94/405785494.db2.gz KGSHGUMZLHMTQV-FZMZJTMJSA-N 1 3 319.346 2.312 20 0 DEADHO C[C@@H]1C[C@H](N(C)C(=O)C2(C)C[NH2+]C2)CCN1Cc1ccccc1 ZINC000423394165 405788412 /nfs/dbraw/zinc/78/84/12/405788412.db2.gz PYEJBINWZRELDT-NVXWUHKLSA-N 1 3 315.461 2.107 20 0 DEADHO COC[C@]1(CN[C@@H]2CCN(C)[C@@H](c3ccccc3)C2)CCC[NH2+]1 ZINC000423408382 405793386 /nfs/dbraw/zinc/79/33/86/405793386.db2.gz AGXKWKPDWSVMNZ-GUDVDZBRSA-N 1 3 317.477 2.180 20 0 DEADHO CCO[C@@H]1C[C@H]([NH2+]C[C@]2(COC)CCCN2)C12CCCCC2 ZINC000423417479 405797678 /nfs/dbraw/zinc/79/76/78/405797678.db2.gz SLQSLQYGEUNHSW-BBWFWOEESA-N 1 3 310.482 2.473 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000423445775 405809306 /nfs/dbraw/zinc/80/93/06/405809306.db2.gz NILWDUDXJOTFBE-GOSISDBHSA-N 1 3 315.461 2.352 20 0 DEADHO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000639003712 405814304 /nfs/dbraw/zinc/81/43/04/405814304.db2.gz BXDFCQSVKYFGJG-UAGQMJEPSA-N 1 3 303.450 2.059 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H](c2nnc[n-]2)c2ccc(F)cc2)C1 ZINC000423465739 405815554 /nfs/dbraw/zinc/81/55/54/405815554.db2.gz HUHXYRVXKWRCNN-DFBGVHRSSA-N 1 3 303.385 2.140 20 0 DEADHO CN(CC1CC[NH+](C)CC1)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000584093472 405822940 /nfs/dbraw/zinc/82/29/40/405822940.db2.gz DVCQBWBPVNMCFR-MRXNPFEDSA-N 1 3 324.513 2.090 20 0 DEADHO C[C@H]([NH2+]C[C@H](N)C1CC1)c1ccc(OCc2nccn2C)cc1 ZINC000423328774 405763598 /nfs/dbraw/zinc/76/35/98/405763598.db2.gz SHDLNBZBONEXRY-GUYCJALGSA-N 1 3 314.433 2.387 20 0 DEADHO CC1CC[NH+](CCCCNC(=O)[C@H]2NCCCC2(C)C)CC1 ZINC000423335290 405766203 /nfs/dbraw/zinc/76/62/03/405766203.db2.gz RLPKXKZQRJSMQF-MRXNPFEDSA-N 1 3 309.498 2.393 20 0 DEADHO N[C@@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)C1CCC1 ZINC000423356221 405775207 /nfs/dbraw/zinc/77/52/07/405775207.db2.gz JPMQRSFVQGDARI-MRXNPFEDSA-N 1 3 321.490 2.204 20 0 DEADHO Cc1ccc(NC(=O)[C@@H](C[NH3+])C(C)C)c(OCCN(C)C)c1 ZINC000433132729 405875469 /nfs/dbraw/zinc/87/54/69/405875469.db2.gz CGWGNXBETCLRMA-AWEZNQCLSA-N 1 3 307.438 2.105 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H]1CN1CCC[C@@H](CN2CCOCC2)C1 ZINC000450399325 405876292 /nfs/dbraw/zinc/87/62/92/405876292.db2.gz CPMHFVKLTIRVFY-OALUTQOASA-N 1 3 323.525 2.294 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H]1CN1CCC[C@@H](CN2CCOCC2)C1 ZINC000450399325 405876299 /nfs/dbraw/zinc/87/62/99/405876299.db2.gz CPMHFVKLTIRVFY-OALUTQOASA-N 1 3 323.525 2.294 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000423506145 405832334 /nfs/dbraw/zinc/83/23/34/405832334.db2.gz MGYOMOUCJZRIJV-GDBMZVCRSA-N 1 3 316.449 2.134 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000633800607 405847498 /nfs/dbraw/zinc/84/74/98/405847498.db2.gz UTLJGHILVXVVPC-SJLPKXTDSA-N 1 3 317.477 2.213 20 0 DEADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000633800607 405847502 /nfs/dbraw/zinc/84/75/02/405847502.db2.gz UTLJGHILVXVVPC-SJLPKXTDSA-N 1 3 317.477 2.213 20 0 DEADHO C[C@@H](CNC(=O)NC[C@H](c1cccs1)N1CCCC1)[NH+](C)C ZINC000457493641 405866248 /nfs/dbraw/zinc/86/62/48/405866248.db2.gz QHCFEZBYSVBZLP-UONOGXRCSA-N 1 3 324.494 2.134 20 0 DEADHO CCC1([NH+]2CCCC2)CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000633953753 405927537 /nfs/dbraw/zinc/92/75/37/405927537.db2.gz PCIZXLREALCSAP-INIZCTEOSA-N 1 3 309.498 2.440 20 0 DEADHO CCC1([NH+]2CCCC2)CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000633955185 405929453 /nfs/dbraw/zinc/92/94/53/405929453.db2.gz NGDVTZJAHYKGIL-QGZVFWFLSA-N 1 3 319.493 2.480 20 0 DEADHO CN(C)Cc1ccc(CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000423728347 405930618 /nfs/dbraw/zinc/93/06/18/405930618.db2.gz LSCDLUOPLBEJQT-SJORKVTESA-N 1 3 303.450 2.272 20 0 DEADHO C[C@@H](C(=O)N1CCCN(CCCc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000423744846 405941369 /nfs/dbraw/zinc/94/13/69/405941369.db2.gz LPOQIRHZZVKSMX-SJORKVTESA-N 1 3 317.477 2.137 20 0 DEADHO CC[C@@H](C)[C@H](C[NH+]1CCC(CN2CCN(C)CC2)CC1)OC ZINC000639171026 405943799 /nfs/dbraw/zinc/94/37/99/405943799.db2.gz OLRMPCAQFAPEGL-AEFFLSMTSA-N 1 3 311.514 2.007 20 0 DEADHO COC(=O)c1cccc(C[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC000561970433 405954171 /nfs/dbraw/zinc/95/41/71/405954171.db2.gz KTQIKDNQGLKNBW-UHFFFAOYSA-N 1 3 302.418 2.437 20 0 DEADHO C[C@](C[NH3+])(NCCC(=O)N[C@@H]1CCCc2ccccc21)C1CC1 ZINC000433503742 405956222 /nfs/dbraw/zinc/95/62/22/405956222.db2.gz SHUAGOIQRGULEK-IEBWSBKVSA-N 1 3 315.461 2.287 20 0 DEADHO CN1CC[C@H]2[C@H](CCCN2C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000423781544 405964004 /nfs/dbraw/zinc/96/40/04/405964004.db2.gz KZIWFEWJAYHEQK-DQPJANOFSA-N 1 3 319.493 2.083 20 0 DEADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457594818 405912244 /nfs/dbraw/zinc/91/22/44/405912244.db2.gz JACSEKLNDSHGML-WMLDXEAASA-N 1 3 307.482 2.050 20 0 DEADHO NCc1cn([C@H]2CCC[N@H+](CCSc3ccccc3)C2)nn1 ZINC000561280321 405914978 /nfs/dbraw/zinc/91/49/78/405914978.db2.gz IMJUCTLVCXSAIQ-HNNXBMFYSA-N 1 3 317.462 2.166 20 0 DEADHO NCc1cn([C@H]2CCC[N@@H+](CCSc3ccccc3)C2)nn1 ZINC000561280321 405914988 /nfs/dbraw/zinc/91/49/88/405914988.db2.gz IMJUCTLVCXSAIQ-HNNXBMFYSA-N 1 3 317.462 2.166 20 0 DEADHO C[C@@H]1C[C@@H](N(C)C(=O)C2C[NH+](C3CCCCC3)C2)CCN1C ZINC000457606950 405918618 /nfs/dbraw/zinc/91/86/18/405918618.db2.gz RPJMXDGNBFFKPS-PBHICJAKSA-N 1 3 307.482 2.192 20 0 DEADHO CCOC[C@H]1CCCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000459706725 406013313 /nfs/dbraw/zinc/01/33/13/406013313.db2.gz IYYDIINCVRPOKO-GOSISDBHSA-N 1 3 311.514 2.294 20 0 DEADHO CCOC[C@H]1CCCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000459706725 406013319 /nfs/dbraw/zinc/01/33/19/406013319.db2.gz IYYDIINCVRPOKO-GOSISDBHSA-N 1 3 311.514 2.294 20 0 DEADHO [NH3+][C@H]1CCC[C@H]1Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000568856512 292372034 /nfs/dbraw/zinc/37/20/34/292372034.db2.gz OAMAYTDZYYAPGM-ZWKOTPCHSA-N 1 3 303.450 2.183 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000532531054 406082934 /nfs/dbraw/zinc/08/29/34/406082934.db2.gz GQTBGZWDVJGBEU-CABCVRRESA-N 1 3 319.449 2.344 20 0 DEADHO COc1ccccc1NC(=O)C[C@H](C)NCC[N@H+]1CC[C@@H](C)C1 ZINC000532531054 406082935 /nfs/dbraw/zinc/08/29/35/406082935.db2.gz GQTBGZWDVJGBEU-CABCVRRESA-N 1 3 319.449 2.344 20 0 DEADHO CCCC1(CNC(=O)N(CCN(C)C)CC[NH+](C)C)CCC1 ZINC000532081899 406044406 /nfs/dbraw/zinc/04/44/06/406044406.db2.gz WNKJUUZFMXVTRE-UHFFFAOYSA-N 1 3 312.502 2.092 20 0 DEADHO CCO[C@@H]1C[C@@H](NC[C@H]2CCC[N@H+](CC3CC3)C2)[C@]12CCCO2 ZINC000639337705 406054605 /nfs/dbraw/zinc/05/46/05/406054605.db2.gz OCDNVCGLVRWVND-NCXUSEDFSA-N 1 3 322.493 2.425 20 0 DEADHO CCO[C@@H]1C[C@@H](NC[C@H]2CCC[N@@H+](CC3CC3)C2)[C@]12CCCO2 ZINC000639337705 406054612 /nfs/dbraw/zinc/05/46/12/406054612.db2.gz OCDNVCGLVRWVND-NCXUSEDFSA-N 1 3 322.493 2.425 20 0 DEADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)[C@]12CCCO2 ZINC000639337705 406054621 /nfs/dbraw/zinc/05/46/21/406054621.db2.gz OCDNVCGLVRWVND-NCXUSEDFSA-N 1 3 322.493 2.425 20 0 DEADHO OC[C@@H](CNC1CC[NH+](CC2CC2)CC1)Cc1ccc(F)cc1 ZINC000532468125 406079020 /nfs/dbraw/zinc/07/90/20/406079020.db2.gz FOHVJJPVCQRBED-QGZVFWFLSA-N 1 3 320.452 2.441 20 0 DEADHO C[N@H+](CCc1cnccn1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000639504308 406119181 /nfs/dbraw/zinc/11/91/81/406119181.db2.gz QBNDUWNCKZUJIB-SFHVURJKSA-N 1 3 310.445 2.473 20 0 DEADHO C[N@@H+](CCc1cnccn1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000639504308 406119183 /nfs/dbraw/zinc/11/91/83/406119183.db2.gz QBNDUWNCKZUJIB-SFHVURJKSA-N 1 3 310.445 2.473 20 0 DEADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H](c1nnc[n-]1)c1ccc(F)cc1 ZINC000567724476 406127425 /nfs/dbraw/zinc/12/74/25/406127425.db2.gz WLDSDSICURPTST-IGFOULAYSA-N 1 3 315.396 2.139 20 0 DEADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2N[C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000567724476 406127431 /nfs/dbraw/zinc/12/74/31/406127431.db2.gz WLDSDSICURPTST-IGFOULAYSA-N 1 3 315.396 2.139 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]CCCc2cncn2C)[C@H](C)C1 ZINC000518214148 406132366 /nfs/dbraw/zinc/13/23/66/406132366.db2.gz ZCQDMXCQMVAMEV-SJLPKXTDSA-N 1 3 322.497 2.079 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)cc1 ZINC000634458006 406140359 /nfs/dbraw/zinc/14/03/59/406140359.db2.gz MKDXHEOGAJRAST-AEFFLSMTSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cc1 ZINC000634458006 406140364 /nfs/dbraw/zinc/14/03/64/406140364.db2.gz MKDXHEOGAJRAST-AEFFLSMTSA-N 1 3 315.461 2.027 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC000634458909 406140562 /nfs/dbraw/zinc/14/05/62/406140562.db2.gz GYWVMHZZGZNZSE-KBAYOESNSA-N 1 3 315.461 2.026 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC000634458909 406140566 /nfs/dbraw/zinc/14/05/66/406140566.db2.gz GYWVMHZZGZNZSE-KBAYOESNSA-N 1 3 315.461 2.026 20 0 DEADHO O[C@@]1(CNCCOC2CCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634701770 406233123 /nfs/dbraw/zinc/23/31/23/406233123.db2.gz VMQGYQFVYZZQRR-LJQANCHMSA-N 1 3 318.461 2.172 20 0 DEADHO O[C@@]1(CNCCOC2CCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634701770 406233128 /nfs/dbraw/zinc/23/31/28/406233128.db2.gz VMQGYQFVYZZQRR-LJQANCHMSA-N 1 3 318.461 2.172 20 0 DEADHO [NH3+][C@H]1CCC[C@@H](NC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)C1 ZINC000569258896 406230255 /nfs/dbraw/zinc/23/02/55/406230255.db2.gz MTZABORGQNYYJQ-DGAVXFQQSA-N 1 3 306.410 2.027 20 0 DEADHO C[C@H](C(=O)N1CCCCCC1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639760381 406239451 /nfs/dbraw/zinc/23/94/51/406239451.db2.gz WIHCNPCHXQNIIH-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@H](C[C@H]1CCCCCN1)[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000569349978 406241824 /nfs/dbraw/zinc/24/18/24/406241824.db2.gz KYEYSWNBKRLJPS-YHNBSYBMSA-N 1 3 316.511 2.243 20 0 DEADHO O[C@H]1CC[N@H+](Cc2ccccc2CNC/C=C\c2ccncc2)C1 ZINC000487555668 406246842 /nfs/dbraw/zinc/24/68/42/406246842.db2.gz GWCANAHWFKXMCN-XQQSMPNESA-N 1 3 323.440 2.451 20 0 DEADHO O[C@H]1CC[N@@H+](Cc2ccccc2CNC/C=C\c2ccncc2)C1 ZINC000487555668 406246847 /nfs/dbraw/zinc/24/68/47/406246847.db2.gz GWCANAHWFKXMCN-XQQSMPNESA-N 1 3 323.440 2.451 20 0 DEADHO CCCN(CCN1CCCCCC1)C(=O)NCC[NH2+]C1CC1 ZINC000637348370 406268781 /nfs/dbraw/zinc/26/87/81/406268781.db2.gz SSHYVHBMVZBBFN-UHFFFAOYSA-N 1 3 310.486 2.036 20 0 DEADHO C[C@@H](C[NH2+]C[C@@H](O)COc1ccc(F)cc1)CN1CCCCC1 ZINC000569712489 406294446 /nfs/dbraw/zinc/29/44/46/406294446.db2.gz HQCZNAZICCHLBV-DOTOQJQBSA-N 1 3 324.440 2.277 20 0 DEADHO CCC[N@H+](CC)CCNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000489279456 406389682 /nfs/dbraw/zinc/38/96/82/406389682.db2.gz PIGJXCPHJSSVCQ-BRWVUGGUSA-N 1 3 324.513 2.090 20 0 DEADHO CCC[N@@H+](CC)CCNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000489279456 406389683 /nfs/dbraw/zinc/38/96/83/406389683.db2.gz PIGJXCPHJSSVCQ-BRWVUGGUSA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)[C@@H](CNC(=O)CCCC[NH3+])N1CCc2ccccc2C1 ZINC000570678733 406425803 /nfs/dbraw/zinc/42/58/03/406425803.db2.gz BGAAJIKXRIMIKF-GOSISDBHSA-N 1 3 317.477 2.315 20 0 DEADHO Cc1ccccc1OC[C@H](O)C[NH2+]C1CCN(CC(C)C)CC1 ZINC000571074117 406474554 /nfs/dbraw/zinc/47/45/54/406474554.db2.gz HRYKOTPYLNEUCV-GOSISDBHSA-N 1 3 320.477 2.445 20 0 DEADHO C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)N1CCC[C@H](C)C1 ZINC000635301274 406491634 /nfs/dbraw/zinc/49/16/34/406491634.db2.gz WQUWOCPBGNXMMZ-HOTGVXAUSA-N 1 3 307.482 2.099 20 0 DEADHO CN(CC(=O)NCc1ccccc1C[NH+](C)C)CC(C)(C)C ZINC000635126626 406432211 /nfs/dbraw/zinc/43/22/11/406432211.db2.gz DBDLWOTZCRHLIF-UHFFFAOYSA-N 1 3 305.466 2.342 20 0 DEADHO CN(C)C1(CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000640222576 406434970 /nfs/dbraw/zinc/43/49/70/406434970.db2.gz PXPYMPNZXOMSMI-INIZCTEOSA-N 1 3 316.449 2.451 20 0 DEADHO C[C@H](CCC(C)(C)C)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000524925296 406464674 /nfs/dbraw/zinc/46/46/74/406464674.db2.gz UNVSOFKIJUVYJW-OAHLLOKOSA-N 1 3 314.518 2.336 20 0 DEADHO c1csc([C@H](NCC2CC[NH+](C3CC3)CC2)c2nnc[nH]2)c1 ZINC000571389726 406513918 /nfs/dbraw/zinc/51/39/18/406513918.db2.gz YOAQOZGOWYAMDO-HNNXBMFYSA-N 1 3 317.462 2.420 20 0 DEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000571465085 406525012 /nfs/dbraw/zinc/52/50/12/406525012.db2.gz ZXJONUBCUZVBFN-KSZLIROESA-N 1 3 315.461 2.256 20 0 DEADHO CC(C)[NH2+]CC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000572060032 406601311 /nfs/dbraw/zinc/60/13/11/406601311.db2.gz LMCKQJGACYOBRA-SJLPKXTDSA-N 1 3 317.477 2.496 20 0 DEADHO CC1CCC(N2CCN(C(=O)N[C@H]3CCC[NH2+]CC3)CC2)CC1 ZINC000641090064 406624301 /nfs/dbraw/zinc/62/43/01/406624301.db2.gz DXDKQUAMGBAQIC-CGZBRXJRSA-N 1 3 322.497 2.034 20 0 DEADHO C[NH+](C)CC1(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC1 ZINC000638212253 406625049 /nfs/dbraw/zinc/62/50/49/406625049.db2.gz XBQADBRZTHSREW-UHFFFAOYSA-N 1 3 315.339 2.444 20 0 DEADHO CN(C)C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000549618981 406588233 /nfs/dbraw/zinc/58/82/33/406588233.db2.gz YLHBHXZBZDSHIP-DZGCQCFKSA-N 1 3 309.841 2.011 20 0 DEADHO CN(C)C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000549618981 406588237 /nfs/dbraw/zinc/58/82/37/406588237.db2.gz YLHBHXZBZDSHIP-DZGCQCFKSA-N 1 3 309.841 2.011 20 0 DEADHO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC1CC[NH+](CC2CC2)CC1 ZINC000552086408 406682874 /nfs/dbraw/zinc/68/28/74/406682874.db2.gz GRRMYJROAIUNCS-NVXWUHKLSA-N 1 3 307.482 2.144 20 0 DEADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]2CCN2C2CCCC2)C1 ZINC000635635166 406642234 /nfs/dbraw/zinc/64/22/34/406642234.db2.gz IESQTBNZRWJNJC-SJLPKXTDSA-N 1 3 319.493 2.194 20 0 DEADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]2CCN2C2CCCC2)C1 ZINC000635635166 406642241 /nfs/dbraw/zinc/64/22/41/406642241.db2.gz IESQTBNZRWJNJC-SJLPKXTDSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)/C=C\CN(C)C)CC1 ZINC000491841312 406742666 /nfs/dbraw/zinc/74/26/66/406742666.db2.gz CBNWPILVFPQMGP-BJIFSAINSA-N 1 3 315.461 2.446 20 0 DEADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000646105659 406781092 /nfs/dbraw/zinc/78/10/92/406781092.db2.gz BFZOPLUEQQWDHN-KRWDZBQOSA-N 1 3 315.461 2.238 20 0 DEADHO CN(C)[C@@]1(CNC(=O)CC[C@H]([NH3+])c2ccccc2)CCSC1 ZINC000646151439 406801653 /nfs/dbraw/zinc/80/16/53/406801653.db2.gz QIPJWTLPNBETFT-DOTOQJQBSA-N 1 3 321.490 2.020 20 0 DEADHO C[C@@H](C[C@@H]1CCCCCN1)[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000569349977 292407886 /nfs/dbraw/zinc/40/78/86/292407886.db2.gz KYEYSWNBKRLJPS-UIDBIOKJSA-N 1 3 316.511 2.243 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000646213733 406818259 /nfs/dbraw/zinc/81/82/59/406818259.db2.gz TXKMHJHJNHXMLF-ZMSDIMECSA-N 1 3 318.465 2.028 20 0 DEADHO Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000647248676 406978291 /nfs/dbraw/zinc/97/82/91/406978291.db2.gz QXYVFIXYJOLSIE-MJGOQNOKSA-N 1 3 312.461 2.472 20 0 DEADHO COc1ccccc1NC(=O)C[C@@H](C)N[C@@H]1CCC[NH2+]CC1 ZINC000643521712 407010030 /nfs/dbraw/zinc/01/00/30/407010030.db2.gz YNBNFJMJVGLVSJ-ZIAGYGMSSA-N 1 3 305.422 2.144 20 0 DEADHO COc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCNC3(CCC3)C1)CO2 ZINC000643548613 407012864 /nfs/dbraw/zinc/01/28/64/407012864.db2.gz RXSDQYBKAJPHJU-HUUCEWRRSA-N 1 3 302.418 2.263 20 0 DEADHO FC(F)COc1ncccc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647793922 407051880 /nfs/dbraw/zinc/05/18/80/407051880.db2.gz MIHPADWCAXFKRT-IACUBPJLSA-N 1 3 311.376 2.203 20 0 DEADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCCc2ncn(C)n2)CC1 ZINC000647325886 406986193 /nfs/dbraw/zinc/98/61/93/406986193.db2.gz SEDMATVHVBVSSO-DOTOQJQBSA-N 1 3 319.497 2.380 20 0 DEADHO C[C@H]1CCCC[C@H]1N1CCC([NH2+]CCCc2ncn(C)n2)CC1 ZINC000647325886 406986195 /nfs/dbraw/zinc/98/61/95/406986195.db2.gz SEDMATVHVBVSSO-DOTOQJQBSA-N 1 3 319.497 2.380 20 0 DEADHO CO[C@@H]1COC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000647335287 406987947 /nfs/dbraw/zinc/98/79/47/406987947.db2.gz VXRWHVOELHAYLW-UJWQCDCRSA-N 1 3 316.445 2.185 20 0 DEADHO Cc1cc(C[N@H+](C2CC2)C2CCNCC2)ccc1-n1cncn1 ZINC000647482983 407006004 /nfs/dbraw/zinc/00/60/04/407006004.db2.gz PKEGJERIDOHAQJ-UHFFFAOYSA-N 1 3 311.433 2.292 20 0 DEADHO Cc1cc(C[N@@H+](C2CC2)C2CCNCC2)ccc1-n1cncn1 ZINC000647482983 407006007 /nfs/dbraw/zinc/00/60/07/407006007.db2.gz PKEGJERIDOHAQJ-UHFFFAOYSA-N 1 3 311.433 2.292 20 0 DEADHO CN(CCCc1c(F)cccc1Cl)CCN1CC[NH2+]CC1 ZINC000647492761 407007086 /nfs/dbraw/zinc/00/70/86/407007086.db2.gz XMRJOIUHAQJWRH-UHFFFAOYSA-N 1 3 313.848 2.249 20 0 DEADHO C[C@@H](C(=O)N1CCC(C)CC1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976514 407091786 /nfs/dbraw/zinc/09/17/86/407091786.db2.gz POYCGJNVAHHQIW-OKZBNKHCSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@H](C(=O)N1CCCCC1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978471 407092630 /nfs/dbraw/zinc/09/26/30/407092630.db2.gz SOFUKQYUKCXZOV-ZACQAIPSSA-N 1 3 307.482 2.099 20 0 DEADHO COc1ccccc1[C@@H](N)CNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000644092715 407085761 /nfs/dbraw/zinc/08/57/61/407085761.db2.gz SGQNBFNABFPGAH-HOTGVXAUSA-N 1 3 319.449 2.109 20 0 DEADHO COc1ccccc1[C@H](N)CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000644092180 407085915 /nfs/dbraw/zinc/08/59/15/407085915.db2.gz IUVXMHKKCUTSEZ-ARFHVFGLSA-N 1 3 319.449 2.109 20 0 DEADHO CC[C@@H](C)N[C@H](CNC(=O)NC(C)(C)CC[NH3+])c1ccco1 ZINC000422624583 286786466 /nfs/dbraw/zinc/78/64/66/286786466.db2.gz ZZJMXGNRBPIZLU-CHWSQXEVSA-N 1 3 310.442 2.135 20 0 DEADHO CC[C@H]1C[C@H](NCc2ccncc2OCCC[NH+](C)C)CCO1 ZINC000648589251 407202028 /nfs/dbraw/zinc/20/20/28/407202028.db2.gz BWWZLVKBSJKNMW-SJORKVTESA-N 1 3 321.465 2.459 20 0 DEADHO CCCN(C(=O)NCC(C)(C)[NH+]1CCCCC1)[C@@H]1CCN(C)C1 ZINC000645117700 407234144 /nfs/dbraw/zinc/23/41/44/407234144.db2.gz MICCHZNQISRVRB-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@@H](CCNC(=O)N1CC[C@@H](N2CCCC2)C1)[NH+]1CCCCC1 ZINC000182665181 286810372 /nfs/dbraw/zinc/81/03/72/286810372.db2.gz GXZDGMXVXVHIBK-DLBZAZTESA-N 1 3 322.497 2.131 20 0 DEADHO C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000124373578 287033513 /nfs/dbraw/zinc/03/35/13/287033513.db2.gz HKCWQNQQPNBCNO-KGLIPLIRSA-N 1 3 322.474 2.225 20 0 DEADHO Cc1ccc(NC(=O)C[C@H]2CSCC[NH2+]2)c(CN(C)C)c1 ZINC000133847944 196339607 /nfs/dbraw/zinc/33/96/07/196339607.db2.gz YJFXXXFLMAMUPB-AWEZNQCLSA-N 1 3 307.463 2.090 20 0 DEADHO CC[C@@]1(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCC[NH2+]1 ZINC000128970654 287408674 /nfs/dbraw/zinc/40/86/74/287408674.db2.gz UHKYRWKNAAYOBY-HKUYNNGSSA-N 1 3 315.461 2.472 20 0 DEADHO CC[C@H](F)CN[C@H](C)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001423142140 1173112532 /nfs/dbraw/zinc/11/25/32/1173112532.db2.gz QJXALCILFQMDTJ-ZBFHGGJFSA-N 1 3 315.477 2.291 20 0 DEADHO C[C@H](C[C@@H]1COCCN1)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000572392394 292616194 /nfs/dbraw/zinc/61/61/94/292616194.db2.gz FBJBUHQPEYTKPH-NIKGAXFTSA-N 1 3 313.445 2.196 20 0 DEADHO O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CCN(C2CCCC2)CC1 ZINC000416015836 228765839 /nfs/dbraw/zinc/76/58/39/228765839.db2.gz ULKBBZHDRNCKQF-UHFFFAOYSA-N 1 3 314.433 2.382 20 0 DEADHO Cc1ccc([C@H](CNC(=O)N(C)[C@@H](C)C[NH3+])N2CCCC2)cc1 ZINC000417355058 229013613 /nfs/dbraw/zinc/01/36/13/229013613.db2.gz NCQCKEKILMMWEW-RDJZCZTQSA-N 1 3 318.465 2.121 20 0 DEADHO C[C@H](NC(=O)C(C)(C)[C@H](N)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000417777970 229096527 /nfs/dbraw/zinc/09/65/27/229096527.db2.gz DWTRAOSQWMSNJB-NUEKZKHPSA-N 1 3 303.450 2.217 20 0 DEADHO N[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000417698915 229071359 /nfs/dbraw/zinc/07/13/59/229071359.db2.gz FESICSPXUKFZQZ-DOTOQJQBSA-N 1 3 316.449 2.003 20 0 DEADHO N[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000417698915 229071361 /nfs/dbraw/zinc/07/13/61/229071361.db2.gz FESICSPXUKFZQZ-DOTOQJQBSA-N 1 3 316.449 2.003 20 0 DEADHO C[C@@H](NC(C)(C)CNC(=O)N1CCC([NH3+])CC1)c1ccccc1 ZINC000417699672 229072505 /nfs/dbraw/zinc/07/25/05/229072505.db2.gz HOZDKHUQOIKANY-CQSZACIVSA-N 1 3 318.465 2.249 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000417883485 229134622 /nfs/dbraw/zinc/13/46/22/229134622.db2.gz WNXSEEMZKJRGDL-BFYDXBDKSA-N 1 3 318.465 2.076 20 0 DEADHO C[NH+](C)CCCOc1cnccc1CN[C@H]1COC(C)(C)C1 ZINC000418057139 229205571 /nfs/dbraw/zinc/20/55/71/229205571.db2.gz FXFFDWLUAWOCEZ-OAHLLOKOSA-N 1 3 307.438 2.069 20 0 DEADHO C[C@@H]1C[C@H](C)N(CCC(=O)N2CCc3ccccc32)C[C@@H]1C[NH3+] ZINC000422639665 230161426 /nfs/dbraw/zinc/16/14/26/230161426.db2.gz UCLCJMWCXSNZBV-VYDXJSESSA-N 1 3 315.461 2.271 20 0 DEADHO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)N2CCc3ccccc32)C[C@@H]1CN ZINC000422639665 230161430 /nfs/dbraw/zinc/16/14/30/230161430.db2.gz UCLCJMWCXSNZBV-VYDXJSESSA-N 1 3 315.461 2.271 20 0 DEADHO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)N2CCc3ccccc32)C[C@@H]1CN ZINC000422639665 230161433 /nfs/dbraw/zinc/16/14/33/230161433.db2.gz UCLCJMWCXSNZBV-VYDXJSESSA-N 1 3 315.461 2.271 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCCCOCCc1ccccc1 ZINC000422721480 230176994 /nfs/dbraw/zinc/17/69/94/230176994.db2.gz NZRAYGVFMRKQHI-WDSOQIARSA-N 1 3 320.477 2.368 20 0 DEADHO O=C1CCCCCN1CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422758148 230191613 /nfs/dbraw/zinc/19/16/13/230191613.db2.gz NPFRZEDSMSOCHL-BBWFWOEESA-N 1 3 307.482 2.289 20 0 DEADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](CO)Cc1c(F)cccc1Cl ZINC000422798172 230213601 /nfs/dbraw/zinc/21/36/01/230213601.db2.gz QALXBGHKEVFFON-MQIPJXDCSA-N 1 3 314.832 2.347 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H](CO)Cc1c(F)cccc1Cl ZINC000422798172 230213603 /nfs/dbraw/zinc/21/36/03/230213603.db2.gz QALXBGHKEVFFON-MQIPJXDCSA-N 1 3 314.832 2.347 20 0 DEADHO C[C@H](C[C@H]1COCCN1)[NH2+][C@@H](CN1CCCC1)c1ccccc1 ZINC000422802593 230215411 /nfs/dbraw/zinc/21/54/11/230215411.db2.gz HOHHWJITNZRHDH-NEWSRXKRSA-N 1 3 317.477 2.180 20 0 DEADHO C[C@H](NCc1ccccc1OCCN(C)C)[C@@H]1CCCC[NH2+]1 ZINC000422819608 230224813 /nfs/dbraw/zinc/22/48/13/230224813.db2.gz INSKZWLVFBBDCB-RDJZCZTQSA-N 1 3 305.466 2.247 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000422828103 230229329 /nfs/dbraw/zinc/22/93/29/230229329.db2.gz STXKOVBDLAXCJZ-QEJZJMRPSA-N 1 3 320.433 2.035 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC(C)(C)c1ccc2c(c1)OCO2 ZINC000422828103 230229333 /nfs/dbraw/zinc/22/93/33/230229333.db2.gz STXKOVBDLAXCJZ-QEJZJMRPSA-N 1 3 320.433 2.035 20 0 DEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000422849942 230242525 /nfs/dbraw/zinc/24/25/25/230242525.db2.gz VHHMRTDDNSKREN-HOTGVXAUSA-N 1 3 311.539 2.455 20 0 DEADHO NC[C@H]1CCC[C@H]1[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000422860823 230249140 /nfs/dbraw/zinc/24/91/40/230249140.db2.gz LWEWFWGWBJSHPL-CXAGYDPISA-N 1 3 319.424 2.147 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@@H]1CCCN(c2ccccc2F)C1 ZINC000423013693 230317245 /nfs/dbraw/zinc/31/72/45/230317245.db2.gz NHUZWVPSAMXMTK-QSJFSLAZSA-N 1 3 321.440 2.136 20 0 DEADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCCN(c2ccccc2F)C1 ZINC000423013693 230317252 /nfs/dbraw/zinc/31/72/52/230317252.db2.gz NHUZWVPSAMXMTK-QSJFSLAZSA-N 1 3 321.440 2.136 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCNc1ccc2ccccc2n1 ZINC000358399520 424823378 /nfs/dbraw/zinc/82/33/78/424823378.db2.gz MADGOJYBBCOLIC-IIDMSEBBSA-N 1 3 312.461 2.965 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCNc1ccc2ccccc2n1 ZINC000358399520 424823379 /nfs/dbraw/zinc/82/33/79/424823379.db2.gz MADGOJYBBCOLIC-IIDMSEBBSA-N 1 3 312.461 2.965 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnc3ccccn23)C[C@@H](C)O1 ZINC000195719217 424883567 /nfs/dbraw/zinc/88/35/67/424883567.db2.gz OVQRMHAOUAMJEE-HZPDHXFCSA-N 1 3 316.449 2.313 20 0 DEADHO C[NH+](C)CCOc1ccc(CN2CC(C)(C)[C@@H]3COC[C@@H]32)cc1 ZINC000648871708 424920981 /nfs/dbraw/zinc/92/09/81/424920981.db2.gz MSZAMXZYRGNBBM-MSOLQXFVSA-N 1 3 318.461 2.484 20 0 DEADHO C[C@@H](C(=O)N[C@@H](C)C1CC[NH+](C)CC1)[C@@H](N)c1ccccc1 ZINC000396487137 424921623 /nfs/dbraw/zinc/92/16/23/424921623.db2.gz KVPLKJMFLYTAAZ-JKIFEVAISA-N 1 3 303.450 2.169 20 0 DEADHO CN(C)CCOc1ccccc1C(=O)Nc1cccc(C[NH3+])c1 ZINC000649268753 424980945 /nfs/dbraw/zinc/98/09/45/424980945.db2.gz WJNYVSYVOCTIFM-UHFFFAOYSA-N 1 3 313.401 2.338 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CNCc3ccccc32)C[C@@H]1C ZINC000649340233 424996179 /nfs/dbraw/zinc/99/61/79/424996179.db2.gz LBWKKKNEAVSGCE-QILLFSRXSA-N 1 3 315.461 2.205 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CNCc3ccccc32)C[C@@H]1C ZINC000649340233 424996181 /nfs/dbraw/zinc/99/61/81/424996181.db2.gz LBWKKKNEAVSGCE-QILLFSRXSA-N 1 3 315.461 2.205 20 0 DEADHO CC(C)n1cc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cn1 ZINC000650706937 425039141 /nfs/dbraw/zinc/03/91/41/425039141.db2.gz VTQMXMMIAKRCRI-BBWFWOEESA-N 1 3 306.454 2.182 20 0 DEADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3cnc4ccccn34)C2)C1 ZINC000650706673 425040002 /nfs/dbraw/zinc/04/00/02/425040002.db2.gz QAAYVOKCZOEDLG-UXLLHSPISA-N 1 3 314.433 2.053 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N(C)CCN1CCCCC1 ZINC000651109972 425103205 /nfs/dbraw/zinc/10/32/05/425103205.db2.gz DMNJKOZBVRACQF-MRXNPFEDSA-N 1 3 312.502 2.234 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(C)CCN1CCCCC1 ZINC000651109972 425103207 /nfs/dbraw/zinc/10/32/07/425103207.db2.gz DMNJKOZBVRACQF-MRXNPFEDSA-N 1 3 312.502 2.234 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000651197062 425114655 /nfs/dbraw/zinc/11/46/55/425114655.db2.gz UXIQZRPVULBGDD-MRXNPFEDSA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000651197062 425114657 /nfs/dbraw/zinc/11/46/57/425114657.db2.gz UXIQZRPVULBGDD-MRXNPFEDSA-N 1 3 324.513 2.090 20 0 DEADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(C(=O)NC2CC2)cc1 ZINC000666743658 425172818 /nfs/dbraw/zinc/17/28/18/425172818.db2.gz LOFOOQXNLZEQIV-NVXWUHKLSA-N 1 3 301.434 2.186 20 0 DEADHO CCN(C(=O)NCCC[NH+]1CCC(C)CC1)[C@@H]1CCN(CC)C1 ZINC000663504616 425174075 /nfs/dbraw/zinc/17/40/75/425174075.db2.gz YXVQGXJTAGKZCL-QGZVFWFLSA-N 1 3 324.513 2.234 20 0 DEADHO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000666758215 425177163 /nfs/dbraw/zinc/17/71/63/425177163.db2.gz LSXLENGWFPEYRL-DLBZAZTESA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000666758215 425177167 /nfs/dbraw/zinc/17/71/67/425177167.db2.gz LSXLENGWFPEYRL-DLBZAZTESA-N 1 3 324.513 2.090 20 0 DEADHO CN1CCC[C@H](NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000653618907 425193052 /nfs/dbraw/zinc/19/30/52/425193052.db2.gz RGBJHWGDUTZOJL-RDJZCZTQSA-N 1 3 316.449 2.451 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000660659709 425198903 /nfs/dbraw/zinc/19/89/03/425198903.db2.gz QDWBZXJNODACFM-HOTGVXAUSA-N 1 3 324.513 2.423 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000660659709 425198904 /nfs/dbraw/zinc/19/89/04/425198904.db2.gz QDWBZXJNODACFM-HOTGVXAUSA-N 1 3 324.513 2.423 20 0 DEADHO COCC1(CNCc2nc3c(s2)CCCC3)CC[NH2+]CC1 ZINC000666894746 425205644 /nfs/dbraw/zinc/20/56/44/425205644.db2.gz DFHXHVQJGFWWJT-UHFFFAOYSA-N 1 3 309.479 2.128 20 0 DEADHO C[C@H]1CN(c2[nH+]ccc3[nH]ccc32)CC[C@H]1N1CCN(C)CC1 ZINC000663757747 425229326 /nfs/dbraw/zinc/22/93/26/425229326.db2.gz UXIBAJRPYSPBJW-WMLDXEAASA-N 1 3 313.449 2.025 20 0 DEADHO CCc1noc(C)c1CN1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652362814 425248621 /nfs/dbraw/zinc/24/86/21/425248621.db2.gz QFBQDOZTNVYSQQ-XKQJLSEDSA-N 1 3 307.438 2.406 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000653954615 425259377 /nfs/dbraw/zinc/25/93/77/425259377.db2.gz CIPOBEJMXHENMW-MRXNPFEDSA-N 1 3 324.513 2.233 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000653954615 425259381 /nfs/dbraw/zinc/25/93/81/425259381.db2.gz CIPOBEJMXHENMW-MRXNPFEDSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)[NH+](CCNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12)C(C)C ZINC000654347792 425331041 /nfs/dbraw/zinc/33/10/41/425331041.db2.gz LLSGLYNQUBMHKK-SJORKVTESA-N 1 3 324.513 2.421 20 0 DEADHO O=C(NCCC[NH+]1CCCCC1)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654355901 425332824 /nfs/dbraw/zinc/33/28/24/425332824.db2.gz GQOKYOHMIVFZCN-SJORKVTESA-N 1 3 322.497 2.179 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000654361730 425333927 /nfs/dbraw/zinc/33/39/27/425333927.db2.gz WEVZRGIXNYYWDD-UHFFFAOYSA-N 1 3 322.497 2.129 20 0 DEADHO CCN1CCN(CCC[NH2+]Cc2cc(COC)cs2)CC1 ZINC000657308607 425300383 /nfs/dbraw/zinc/30/03/83/425300383.db2.gz UUHOASPUJAYJTJ-UHFFFAOYSA-N 1 3 311.495 2.012 20 0 DEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000661209252 425351506 /nfs/dbraw/zinc/35/15/06/425351506.db2.gz AOCNZCZHQPWTKT-LSDHHAIUSA-N 1 3 312.502 2.279 20 0 DEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000661209252 425351509 /nfs/dbraw/zinc/35/15/09/425351509.db2.gz AOCNZCZHQPWTKT-LSDHHAIUSA-N 1 3 312.502 2.279 20 0 DEADHO CN(C)CCC[N@H+](C)CCNc1nccc2c(N)cccc21 ZINC000664246281 425345196 /nfs/dbraw/zinc/34/51/96/425345196.db2.gz XLGYEDMMEYZOCQ-UHFFFAOYSA-N 1 3 301.438 2.112 20 0 DEADHO CN(C)CCC[N@@H+](C)CCNc1nccc2c(N)cccc21 ZINC000664246281 425345199 /nfs/dbraw/zinc/34/51/99/425345199.db2.gz XLGYEDMMEYZOCQ-UHFFFAOYSA-N 1 3 301.438 2.112 20 0 DEADHO Cc1nc(CNCC2CC[NH+](C3CCOCC3)CC2)[nH]c1C ZINC000657537786 425359236 /nfs/dbraw/zinc/35/92/36/425359236.db2.gz SMEXNHUFFMOEMT-UHFFFAOYSA-N 1 3 306.454 2.007 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)cc1 ZINC000657703198 425388545 /nfs/dbraw/zinc/38/85/45/425388545.db2.gz LZVXVMAIAAPHRK-IAGOWNOFSA-N 1 3 304.434 2.020 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CC2CCC1CC2 ZINC000664476540 425394083 /nfs/dbraw/zinc/39/40/83/425394083.db2.gz BGABQDBRBGHMMC-OTBWCIGPSA-N 1 3 324.513 2.136 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CC2CCC1CC2 ZINC000664476540 425394088 /nfs/dbraw/zinc/39/40/88/425394088.db2.gz BGABQDBRBGHMMC-OTBWCIGPSA-N 1 3 324.513 2.136 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCN2C(C)(C)C)C1 ZINC000661399484 425398096 /nfs/dbraw/zinc/39/80/96/425398096.db2.gz JLTMRBQMGRVVHH-CVEARBPZSA-N 1 3 324.513 2.233 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCN2C(C)(C)C)C1 ZINC000661399484 425398102 /nfs/dbraw/zinc/39/81/02/425398102.db2.gz JLTMRBQMGRVVHH-CVEARBPZSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H](Cn1cncn1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000657829100 425406907 /nfs/dbraw/zinc/40/69/07/425406907.db2.gz ZADHQWMVHRCHRO-MRXNPFEDSA-N 1 3 313.449 2.442 20 0 DEADHO C[NH+](C)CCOc1ccccc1CN[C@@H]1COC2(CCC2)C1 ZINC000657861359 425411538 /nfs/dbraw/zinc/41/15/38/425411538.db2.gz JGJFHOWKONNYEM-INIZCTEOSA-N 1 3 304.434 2.428 20 0 DEADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1c[nH]nc1C(C)(C)C ZINC000657573940 425368712 /nfs/dbraw/zinc/36/87/12/425368712.db2.gz QKHBQZTZMRPTEA-AWEZNQCLSA-N 1 3 309.502 2.069 20 0 DEADHO COc1cc(C)ccc1CN[C@@H](C)CN(C)CCC[NH+](C)C ZINC000657573494 425368890 /nfs/dbraw/zinc/36/88/90/425368890.db2.gz OHUZQNSUEZVWSI-INIZCTEOSA-N 1 3 307.482 2.365 20 0 DEADHO CCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@@H]1CCN(CC)C1 ZINC000664368409 425370938 /nfs/dbraw/zinc/37/09/38/425370938.db2.gz JAAVGLLVGSVDTM-LSDHHAIUSA-N 1 3 312.502 2.088 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653149013 425418525 /nfs/dbraw/zinc/41/85/25/425418525.db2.gz SVOGLCSWKZAKKJ-QGZVFWFLSA-N 1 3 309.498 2.347 20 0 DEADHO O[C@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000657969980 425422872 /nfs/dbraw/zinc/42/28/72/425422872.db2.gz XHZVIAFFQCJIAU-ROUUACIJSA-N 1 3 316.445 2.054 20 0 DEADHO CN(CC1([NH+](C)C)CCC1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654733491 425429319 /nfs/dbraw/zinc/42/93/19/425429319.db2.gz XDCLPLFRHYMEFV-HZPDHXFCSA-N 1 3 322.497 2.129 20 0 DEADHO C[NH+](C)CCCC(C)(C)NC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654739000 425429998 /nfs/dbraw/zinc/42/99/98/425429998.db2.gz WELMCCOVUFJYBI-JKSUJKDBSA-N 1 3 324.513 2.423 20 0 DEADHO Cc1nn(C)cc1[C@@H](C)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000658067331 425433023 /nfs/dbraw/zinc/43/30/23/425433023.db2.gz MJZMVKSZRJQTPB-CQSZACIVSA-N 1 3 320.481 2.270 20 0 DEADHO C[C@H](NCc1cnc(C(F)(F)F)nc1)C1CC[NH+](C)CC1 ZINC000658079845 425436271 /nfs/dbraw/zinc/43/62/71/425436271.db2.gz UOJABEJJZDEJIA-JTQLQIEISA-N 1 3 302.344 2.315 20 0 DEADHO C[C@@H]([NH2+][C@H](CO)C1CCC1)c1cccc(OCCN(C)C)c1 ZINC000658089373 425437715 /nfs/dbraw/zinc/43/77/15/425437715.db2.gz ZUJSIMHBLULXGZ-RDTXWAMCSA-N 1 3 306.450 2.439 20 0 DEADHO C[C@H]([NH2+][C@@H](CO)C1CCC1)c1cccc(OCCN(C)C)c1 ZINC000658089372 425438413 /nfs/dbraw/zinc/43/84/13/425438413.db2.gz ZUJSIMHBLULXGZ-KSSFIOAISA-N 1 3 306.450 2.439 20 0 DEADHO COc1ccc([C@H](C)N[C@@H](C)CN(C)CCC[NH+](C)C)cc1O ZINC000658107647 425439319 /nfs/dbraw/zinc/43/93/19/425439319.db2.gz MRHPPRRBCHPMHG-GJZGRUSLSA-N 1 3 323.481 2.323 20 0 DEADHO C[C@@H]1COCC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166315 425450467 /nfs/dbraw/zinc/45/04/67/425450467.db2.gz NSMFLCNZNAQIAP-QAPCUYQASA-N 1 3 303.450 2.308 20 0 DEADHO C[C@@H](Cn1cccn1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165364 425450914 /nfs/dbraw/zinc/45/09/14/425450914.db2.gz ITJIDIBEKQZUBA-INIZCTEOSA-N 1 3 313.449 2.168 20 0 DEADHO CCOc1ccc([C@@H]2CCNC[C@@H]2[NH2+]C2CCN(C)CC2)cc1 ZINC000665254101 425529380 /nfs/dbraw/zinc/52/93/80/425529380.db2.gz HUCNXJYDAOEPMK-OALUTQOASA-N 1 3 317.477 2.215 20 0 DEADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)[C@H]2CCOC2)cc1F ZINC000665259780 425531883 /nfs/dbraw/zinc/53/18/83/425531883.db2.gz PWHLNVFPUWHKJN-DYWXZXKOSA-N 1 3 322.424 2.294 20 0 DEADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000665357669 425551833 /nfs/dbraw/zinc/55/18/33/425551833.db2.gz SIPVGRGNXMLDPT-BZUAXINKSA-N 1 3 322.497 2.127 20 0 DEADHO CCN(C(=O)[C@H](C)[NH2+]C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000655445725 425569344 /nfs/dbraw/zinc/56/93/44/425569344.db2.gz KCTJIKQWPCWDFB-ZOBUZTSGSA-N 1 3 303.450 2.278 20 0 DEADHO O[C@H]1CCN(C2CC[NH+](CC3CCC(F)(F)CC3)CC2)C1 ZINC000662149631 425574593 /nfs/dbraw/zinc/57/45/93/425574593.db2.gz PIDXJPVIIMOLIG-HNNXBMFYSA-N 1 3 302.409 2.343 20 0 DEADHO [NH3+]Cc1ccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc1 ZINC000659368689 425586639 /nfs/dbraw/zinc/58/66/39/425586639.db2.gz MFTHMLOPQAEPBM-QGZVFWFLSA-N 1 3 311.385 2.059 20 0 DEADHO O=C(NCCN1CCCC1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000665531933 425589775 /nfs/dbraw/zinc/58/97/75/425589775.db2.gz UJGHFCRCTJIZRK-GOSISDBHSA-N 1 3 315.461 2.078 20 0 DEADHO CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H](F)[C@H](N)C2)cc1)C(C)C ZINC000659391301 425594032 /nfs/dbraw/zinc/59/40/32/425594032.db2.gz SFNBGEFZFJLVOM-IAGOWNOFSA-N 1 3 321.440 2.428 20 0 DEADHO CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H](F)[C@H](N)C2)cc1)C(C)C ZINC000659391301 425594036 /nfs/dbraw/zinc/59/40/36/425594036.db2.gz SFNBGEFZFJLVOM-IAGOWNOFSA-N 1 3 321.440 2.428 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCCN2CCCC(C)(C)C2)C1 ZINC000665554151 425595843 /nfs/dbraw/zinc/59/58/43/425595843.db2.gz GIDUPUSZYNCDNT-HNNXBMFYSA-N 1 3 324.513 2.280 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)NCCN2CCCC(C)(C)C2)C1 ZINC000665554151 425595847 /nfs/dbraw/zinc/59/58/47/425595847.db2.gz GIDUPUSZYNCDNT-HNNXBMFYSA-N 1 3 324.513 2.280 20 0 DEADHO CN1CCC2(CCCN2C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000665554791 425596745 /nfs/dbraw/zinc/59/67/45/425596745.db2.gz RUYXAZCAXZZSKE-HNNXBMFYSA-N 1 3 322.497 2.129 20 0 DEADHO CN1CCC2(CCCN2C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000665554791 425596748 /nfs/dbraw/zinc/59/67/48/425596748.db2.gz RUYXAZCAXZZSKE-HNNXBMFYSA-N 1 3 322.497 2.129 20 0 DEADHO CN(CCSc1cccc(Cl)c1)CCN1CC[NH2+]CC1 ZINC000662246096 425600381 /nfs/dbraw/zinc/60/03/81/425600381.db2.gz ORAOQNAHNODGEM-UHFFFAOYSA-N 1 3 313.898 2.269 20 0 DEADHO CC[N@H+](C[C@@H]1CCC2(CNC2)O1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000662249563 425601214 /nfs/dbraw/zinc/60/12/14/425601214.db2.gz XBUOKKSBLJKQCJ-YJBOKZPZSA-N 1 3 318.461 2.469 20 0 DEADHO CC[N@@H+](C[C@@H]1CCC2(CNC2)O1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000662249563 425601218 /nfs/dbraw/zinc/60/12/18/425601218.db2.gz XBUOKKSBLJKQCJ-YJBOKZPZSA-N 1 3 318.461 2.469 20 0 DEADHO CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)C[C@@H]1CCC2(CNC2)O1 ZINC000662254334 425601725 /nfs/dbraw/zinc/60/17/25/425601725.db2.gz HIRKOFUSJAOUAL-ZWKOTPCHSA-N 1 3 318.461 2.027 20 0 DEADHO CC(C)[C@@H](CO)[N@H+](Cc1ccccc1)C[C@@H]1CCC2(CNC2)O1 ZINC000662254334 425601727 /nfs/dbraw/zinc/60/17/27/425601727.db2.gz HIRKOFUSJAOUAL-ZWKOTPCHSA-N 1 3 318.461 2.027 20 0 DEADHO O[C@H]([C@H]1CCCN1Cc1cccc2c1CC[NH2+]C2)C(F)(F)F ZINC000662258983 425603695 /nfs/dbraw/zinc/60/36/95/425603695.db2.gz ZRQZWHLITWAWCU-HUUCEWRRSA-N 1 3 314.351 2.220 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000662426280 425648944 /nfs/dbraw/zinc/64/89/44/425648944.db2.gz WSYVXSQPNPJDJK-INIZCTEOSA-N 1 3 321.490 2.214 20 0 DEADHO CCC[NH+]1CCC(CNC(=O)c2cc3c(s2)CCNC3)CC1 ZINC000662430683 425649267 /nfs/dbraw/zinc/64/92/67/425649267.db2.gz AQBHYXUCGHXLBI-UHFFFAOYSA-N 1 3 321.490 2.246 20 0 DEADHO CCCN1CCC[C@H]1C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000655768494 425649978 /nfs/dbraw/zinc/64/99/78/425649978.db2.gz GFPKUTNKFSTKCI-ROUUACIJSA-N 1 3 309.498 2.094 20 0 DEADHO C[NH2+][C@@H](C)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000662468483 425658770 /nfs/dbraw/zinc/65/87/70/425658770.db2.gz OQCJWDFIAFWQGN-VYDXJSESSA-N 1 3 303.450 2.106 20 0 DEADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662483876 425663122 /nfs/dbraw/zinc/66/31/22/425663122.db2.gz YQZMXSQQJRUZQR-RHSMWYFYSA-N 1 3 301.434 2.021 20 0 DEADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662483876 425663125 /nfs/dbraw/zinc/66/31/25/425663125.db2.gz YQZMXSQQJRUZQR-RHSMWYFYSA-N 1 3 301.434 2.021 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662499185 425667309 /nfs/dbraw/zinc/66/73/09/425667309.db2.gz XFZOVEJFIVDELO-MAUKXSAKSA-N 1 3 315.461 2.315 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662499185 425667312 /nfs/dbraw/zinc/66/73/12/425667312.db2.gz XFZOVEJFIVDELO-MAUKXSAKSA-N 1 3 315.461 2.315 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290459 425614860 /nfs/dbraw/zinc/61/48/60/425614860.db2.gz VFRQFQDIDXWSPG-SOLBZPMBSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H](C(=O)N1CCC(C)CC1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295069 425616380 /nfs/dbraw/zinc/61/63/80/425616380.db2.gz DVBNOMRDBXYSGW-SJLPKXTDSA-N 1 3 321.509 2.345 20 0 DEADHO CCCCCNC(=O)[C@@H](C)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297475 425617282 /nfs/dbraw/zinc/61/72/82/425617282.db2.gz QKLSNSMBKGTQRE-NVXWUHKLSA-N 1 3 309.498 2.393 20 0 DEADHO COc1ccc([C@@H](CN)C[N@@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000662314179 425621703 /nfs/dbraw/zinc/62/17/03/425621703.db2.gz AYLOOVPAUVFAAT-FUHWJXTLSA-N 1 3 304.434 2.240 20 0 DEADHO COc1ccc([C@@H](CN)C[N@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000662314179 425621705 /nfs/dbraw/zinc/62/17/05/425621705.db2.gz AYLOOVPAUVFAAT-FUHWJXTLSA-N 1 3 304.434 2.240 20 0 DEADHO C[C@H]1CCCCN1CCC[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000655682806 425628578 /nfs/dbraw/zinc/62/85/78/425628578.db2.gz KLEVVMWFADSGJZ-WMZOPIPTSA-N 1 3 309.498 2.094 20 0 DEADHO CN(C)[C@H](CNC1CC[NH+]([C@@H]2CCOC2)CC1)c1cccs1 ZINC000655689861 425629514 /nfs/dbraw/zinc/62/95/14/425629514.db2.gz DMMHUIQYZPTHEJ-HZPDHXFCSA-N 1 3 323.506 2.194 20 0 DEADHO CC[C@H](C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)N1CCCC1 ZINC000655688046 425629527 /nfs/dbraw/zinc/62/95/27/425629527.db2.gz HPWFGACIQQBFJC-QZTJIDSGSA-N 1 3 309.498 2.094 20 0 DEADHO C(C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)CN1CCCCC1 ZINC000655692061 425629593 /nfs/dbraw/zinc/62/95/93/425629593.db2.gz DBCCATPNPNIERS-GOSISDBHSA-N 1 3 309.498 2.095 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C2CCCC1CCC2 ZINC000665758651 425641121 /nfs/dbraw/zinc/64/11/21/425641121.db2.gz LUJLWMCDTBJFLY-GTPINHCMSA-N 1 3 324.513 2.375 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C2CCCC1CCC2 ZINC000665758651 425641124 /nfs/dbraw/zinc/64/11/24/425641124.db2.gz LUJLWMCDTBJFLY-GTPINHCMSA-N 1 3 324.513 2.375 20 0 DEADHO CC(C)[NH+]1CCC(N2CCN([C@@H]3CCO[C@H](C)C3)CC2)CC1 ZINC000660108159 425739825 /nfs/dbraw/zinc/73/98/25/425739825.db2.gz UVOXIHZVFFYSBQ-SJLPKXTDSA-N 1 3 309.498 2.044 20 0 DEADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000662589756 425688012 /nfs/dbraw/zinc/68/80/12/425688012.db2.gz DJBDIBRMACQGGQ-CYBMUJFWSA-N 1 3 301.434 2.140 20 0 DEADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000662589756 425688015 /nfs/dbraw/zinc/68/80/15/425688015.db2.gz DJBDIBRMACQGGQ-CYBMUJFWSA-N 1 3 301.434 2.140 20 0 DEADHO CC(C)(C)N1CC[C@@H](NC(=O)c2cccn2C2CC[NH2+]CC2)C1 ZINC000662621134 425695652 /nfs/dbraw/zinc/69/56/52/425695652.db2.gz DWLIQQRYCRHAOA-CQSZACIVSA-N 1 3 318.465 2.015 20 0 DEADHO O[C@@H](CN[C@@H]1CCc2cccc(Cl)c2C1)C[NH+]1CCCC1 ZINC000666084873 425697330 /nfs/dbraw/zinc/69/73/30/425697330.db2.gz ONYBSTORIBCBTM-CABCVRRESA-N 1 3 308.853 2.244 20 0 DEADHO CC(C)CNC(=O)CCC[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000659957798 425699627 /nfs/dbraw/zinc/69/96/27/425699627.db2.gz XVJNMDRIAFXYLM-KRWDZBQOSA-N 1 3 309.498 2.347 20 0 DEADHO CC(C)CNC(=O)CCC[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000659957798 425699630 /nfs/dbraw/zinc/69/96/30/425699630.db2.gz XVJNMDRIAFXYLM-KRWDZBQOSA-N 1 3 309.498 2.347 20 0 DEADHO C[C@@H](CNC(=O)c1cccc2c1CCNC2)[N@@H+]1CCC[C@H](C)C1 ZINC000662679549 425711197 /nfs/dbraw/zinc/71/11/97/425711197.db2.gz QGUBTJMROQXNML-GJZGRUSLSA-N 1 3 315.461 2.183 20 0 DEADHO C[C@@H](CNC(=O)c1cccc2c1CCNC2)[N@H+]1CCC[C@H](C)C1 ZINC000662679549 425711202 /nfs/dbraw/zinc/71/12/02/425711202.db2.gz QGUBTJMROQXNML-GJZGRUSLSA-N 1 3 315.461 2.183 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000662694519 425713621 /nfs/dbraw/zinc/71/36/21/425713621.db2.gz RQOGKZRXRMHANG-ULQDDVLXSA-N 1 3 309.498 2.249 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(C(=O)C2(NC3CC3)CCC2)CC1 ZINC000662691504 425713782 /nfs/dbraw/zinc/71/37/82/425713782.db2.gz SBJIAYDJLXIAIJ-UHFFFAOYSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(C(=O)C2(NC3CC3)CCC2)CC1 ZINC000662691504 425713786 /nfs/dbraw/zinc/71/37/86/425713786.db2.gz SBJIAYDJLXIAIJ-UHFFFAOYSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C[C@@H](N)c1ccccc1 ZINC000662695047 425713983 /nfs/dbraw/zinc/71/39/83/425713983.db2.gz WWBMCACYSUEEFJ-NVXWUHKLSA-N 1 3 303.450 2.313 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)CC2([NH3+])CC2)N2CCCC2)cc1 ZINC000662699979 425715233 /nfs/dbraw/zinc/71/52/33/425715233.db2.gz GBKVZCDBLYDHDL-MRXNPFEDSA-N 1 3 301.434 2.130 20 0 DEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1(NC2CC2)CCC1 ZINC000662695950 425716451 /nfs/dbraw/zinc/71/64/51/425716451.db2.gz RAVGZHLWDAMVEA-QLFBSQMISA-N 1 3 307.482 2.144 20 0 DEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1(NC2CC2)CCC1 ZINC000662695950 425716455 /nfs/dbraw/zinc/71/64/55/425716455.db2.gz RAVGZHLWDAMVEA-QLFBSQMISA-N 1 3 307.482 2.144 20 0 DEADHO C[C@H](CC(=O)N[C@H]1CCCN2CCCC[C@H]12)C1CC[NH2+]CC1 ZINC000662836797 425744865 /nfs/dbraw/zinc/74/48/65/425744865.db2.gz DMGCHALXPIRCLM-HYVNUMGLSA-N 1 3 307.482 2.145 20 0 DEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c(s2)CCNC3)[C@H](C)C1 ZINC000662747081 425729068 /nfs/dbraw/zinc/72/90/68/425729068.db2.gz WVXDXXAOJZUZNT-TZMCWYRMSA-N 1 3 321.490 2.196 20 0 DEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc3c(s2)CCNC3)[C@H](C)C1 ZINC000662747081 425729071 /nfs/dbraw/zinc/72/90/71/425729071.db2.gz WVXDXXAOJZUZNT-TZMCWYRMSA-N 1 3 321.490 2.196 20 0 DEADHO CCN1CC[C@H](N2CCC(CCC[NH+](CC)CC)CC2)C1=O ZINC000660241941 425773699 /nfs/dbraw/zinc/77/36/99/425773699.db2.gz HNSOSTSGGLXOEP-KRWDZBQOSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@H](NCCN1C[C@@H](C)O[C@H](C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660256660 425777376 /nfs/dbraw/zinc/77/73/76/425777376.db2.gz MTZBBUSUERFNQX-BRSBDYLESA-N 1 3 323.525 2.338 20 0 DEADHO C[C@@H](NCCN1C[C@@H](C)O[C@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256660 425777379 /nfs/dbraw/zinc/77/73/79/425777379.db2.gz MTZBBUSUERFNQX-BRSBDYLESA-N 1 3 323.525 2.338 20 0 DEADHO C[C@@H]([NH2+]CCN1C[C@@H](C)O[C@H](C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000660256660 425777383 /nfs/dbraw/zinc/77/73/83/425777383.db2.gz MTZBBUSUERFNQX-BRSBDYLESA-N 1 3 323.525 2.338 20 0 DEADHO CCO[C@@H]1C[C@@H](NC[C@@H](O)C[N@H+](C)C(C)C)C1(CC)CC ZINC000660313006 425789869 /nfs/dbraw/zinc/78/98/69/425789869.db2.gz OWMWODDVIIZUIU-BZUAXINKSA-N 1 3 300.487 2.261 20 0 DEADHO CCO[C@@H]1C[C@@H](NC[C@@H](O)C[N@@H+](C)C(C)C)C1(CC)CC ZINC000660313006 425789873 /nfs/dbraw/zinc/78/98/73/425789873.db2.gz OWMWODDVIIZUIU-BZUAXINKSA-N 1 3 300.487 2.261 20 0 DEADHO [NH3+]CC1(CC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCCCC1 ZINC000662840010 425746086 /nfs/dbraw/zinc/74/60/86/425746086.db2.gz WOFMPFKVMXXWLT-CVEARBPZSA-N 1 3 307.482 2.419 20 0 DEADHO CC1(C)CCCN[C@H]1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662878139 425754617 /nfs/dbraw/zinc/75/46/17/425754617.db2.gz OJHGQVNLLGBFFQ-ZBFHGGJFSA-N 1 3 307.482 2.288 20 0 DEADHO CC1(C)CCCN[C@H]1C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662878139 425754621 /nfs/dbraw/zinc/75/46/21/425754621.db2.gz OJHGQVNLLGBFFQ-ZBFHGGJFSA-N 1 3 307.482 2.288 20 0 DEADHO CC[C@H](C(=O)Nc1ccc([C@H]2CNCCO2)cc1)[NH+](CC)CC ZINC000662884113 425756157 /nfs/dbraw/zinc/75/61/57/425756157.db2.gz LWWKHLNZWABHIW-IAGOWNOFSA-N 1 3 319.449 2.406 20 0 DEADHO CC1CC[NH+](Cc2ccc(CNC(=O)C3(N)CCC3)cc2)CC1 ZINC000295920090 268805938 /nfs/dbraw/zinc/80/59/38/268805938.db2.gz DYNDCDYGVXZDHB-UHFFFAOYSA-N 1 3 315.461 2.416 20 0 DEADHO CCC(CC)(C[NH3+])C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000390009802 269097024 /nfs/dbraw/zinc/09/70/24/269097024.db2.gz YOONZFXHWLLEKT-WBVHZDCISA-N 1 3 317.477 2.388 20 0 DEADHO OC1(C[NH2+]Cc2ccncc2)CCN(Cc2ccccc2)CC1 ZINC000397507466 269106455 /nfs/dbraw/zinc/10/64/55/269106455.db2.gz JZZWIQOFVYJTQO-UHFFFAOYSA-N 1 3 311.429 2.198 20 0 DEADHO [NH3+][C@H](C(=O)NC[C@@H]1CCCCN1Cc1ccccc1)C1CCC1 ZINC000398989434 269110615 /nfs/dbraw/zinc/11/06/15/269110615.db2.gz KFVWVMLOBNQRQC-ROUUACIJSA-N 1 3 315.461 2.285 20 0 DEADHO CC[NH+](CC)[C@H](CNC(=O)[C@@H](N)C1CCC1)c1ccccc1 ZINC000399077625 269110867 /nfs/dbraw/zinc/11/08/67/269110867.db2.gz QJSGNSDTNMHPPB-SJORKVTESA-N 1 3 303.450 2.313 20 0 DEADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]C3CCNCC3)C[C@H]2C1 ZINC000401120920 269112212 /nfs/dbraw/zinc/11/22/12/269112212.db2.gz LLNPKCLQLCTGHW-DZKIICNBSA-N 1 3 323.481 2.364 20 0 DEADHO CCOC(=O)N1CCC([NH2+]CC(C)(C)CN2CCCC2)CC1 ZINC000496548830 269228897 /nfs/dbraw/zinc/22/88/97/269228897.db2.gz MRBABIVIPXHKAH-UHFFFAOYSA-N 1 3 311.470 2.319 20 0 DEADHO CC[C@@H]([NH3+])CNC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496646175 269236767 /nfs/dbraw/zinc/23/67/67/269236767.db2.gz ZVIHVLGODBNKOK-OAHLLOKOSA-N 1 3 305.422 2.115 20 0 DEADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496973647 269272950 /nfs/dbraw/zinc/27/29/50/269272950.db2.gz KLLHRZDBDUFQJD-CYBMUJFWSA-N 1 3 309.454 2.093 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+](CCOC)C2CC2)CC1 ZINC000507154899 269314778 /nfs/dbraw/zinc/31/47/78/269314778.db2.gz LVQNVRLOFQWVTL-UHFFFAOYSA-N 1 3 317.477 2.439 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+](CCOC)C2CC2)CC1 ZINC000507154899 269314779 /nfs/dbraw/zinc/31/47/79/269314779.db2.gz LVQNVRLOFQWVTL-UHFFFAOYSA-N 1 3 317.477 2.439 20 0 DEADHO CC(C)N1CCN(CCCN2CCCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000514664584 269327273 /nfs/dbraw/zinc/32/72/73/269327273.db2.gz OVUGPTQFQODAIZ-MOPGFXCFSA-N 1 3 322.541 2.009 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N(C)CCC[NH+](C)C)cc1 ZINC000514722031 269329408 /nfs/dbraw/zinc/32/94/08/269329408.db2.gz NFEYQRRWMAYEMK-QGZVFWFLSA-N 1 3 320.481 2.403 20 0 DEADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000515299195 269348532 /nfs/dbraw/zinc/34/85/32/269348532.db2.gz QWETVAFFYXTJGX-HZPDHXFCSA-N 1 3 324.513 2.458 20 0 DEADHO CN(C)CCOc1ccc(NC(=O)CCCC[NH3+])cc1Cl ZINC000517029152 269375085 /nfs/dbraw/zinc/37/50/85/269375085.db2.gz XJZNZHACYHXAGI-UHFFFAOYSA-N 1 3 313.829 2.348 20 0 DEADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000517229989 269380048 /nfs/dbraw/zinc/38/00/48/269380048.db2.gz WKYAROXQBANSMK-XQQFMLRXSA-N 1 3 321.387 2.037 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000517229989 269380049 /nfs/dbraw/zinc/38/00/49/269380049.db2.gz WKYAROXQBANSMK-XQQFMLRXSA-N 1 3 321.387 2.037 20 0 DEADHO C[C@H]1CN(C(=O)Nc2ccc(C[NH3+])cc2)CCN(C2CCC2)C1 ZINC000517895006 269394144 /nfs/dbraw/zinc/39/41/44/269394144.db2.gz DFIYRNLXLASXDS-CQSZACIVSA-N 1 3 316.449 2.483 20 0 DEADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc2c(c1)CCC(=O)N2C ZINC000290320041 274335613 /nfs/dbraw/zinc/33/56/13/274335613.db2.gz CVUYLZPUJQIAAR-RHSMWYFYSA-N 1 3 315.461 2.368 20 0 DEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc2c(c1)CCC(=O)N2C ZINC000290320041 274335614 /nfs/dbraw/zinc/33/56/14/274335614.db2.gz CVUYLZPUJQIAAR-RHSMWYFYSA-N 1 3 315.461 2.368 20 0 DEADHO Cc1cccc(N2CCC([NH2+][C@@H]3CCCC[C@@H]3CN)CC2)n1 ZINC000422771699 274793417 /nfs/dbraw/zinc/79/34/17/274793417.db2.gz YGMRUHGETJFQRL-NVXWUHKLSA-N 1 3 302.466 2.466 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CC2CC2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001423464471 1173362646 /nfs/dbraw/zinc/36/26/46/1173362646.db2.gz MBEXFUNOWIAWFF-GOEBONIOSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000418361286 275748591 /nfs/dbraw/zinc/74/85/91/275748591.db2.gz UCVVRMLJUZQQMB-IAOVAPTHSA-N 1 3 318.465 2.189 20 0 DEADHO CC(C)C[C@H]([NH3+])CN1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000414684128 275915829 /nfs/dbraw/zinc/91/58/29/275915829.db2.gz CQGPSTXJNVXYBJ-BQFCYCMXSA-N 1 3 311.514 2.181 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000261657594 276056547 /nfs/dbraw/zinc/05/65/47/276056547.db2.gz AHDRQRTUVWNGKW-ZACQAIPSSA-N 1 3 303.450 2.301 20 0 DEADHO COC[C@H](NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000187779976 277262078 /nfs/dbraw/zinc/26/20/78/277262078.db2.gz XIENAKSTPCGLBY-JZXOWHBKSA-N 1 3 312.498 2.386 20 0 DEADHO COC[C@H](NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000187779976 277262080 /nfs/dbraw/zinc/26/20/80/277262080.db2.gz XIENAKSTPCGLBY-JZXOWHBKSA-N 1 3 312.498 2.386 20 0 DEADHO COC[C@H]([NH2+]CCCN1C[C@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000187779976 277262082 /nfs/dbraw/zinc/26/20/82/277262082.db2.gz XIENAKSTPCGLBY-JZXOWHBKSA-N 1 3 312.498 2.386 20 0 DEADHO CC(C)(CC[NH3+])NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000422589858 277296441 /nfs/dbraw/zinc/29/64/41/277296441.db2.gz KFNBEIXTHQHGDR-MRXNPFEDSA-N 1 3 318.465 2.250 20 0 DEADHO CC(C)C[C@H](CO)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422973880 277487208 /nfs/dbraw/zinc/48/72/08/277487208.db2.gz PUMNSYYNWQRLHY-UWWQBHOKSA-N 1 3 304.434 2.239 20 0 DEADHO CC(C)Cc1ccc([C@H](CNC(=O)N(C)CC[NH3+])N(C)C)cc1 ZINC000418193369 277512915 /nfs/dbraw/zinc/51/29/15/277512915.db2.gz NKMHNHFMMNFIHW-KRWDZBQOSA-N 1 3 320.481 2.088 20 0 DEADHO C[C@@H]1C[C@H](C)N(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C[NH3+] ZINC000424080203 278005898 /nfs/dbraw/zinc/00/58/98/278005898.db2.gz VIRWFHPOOOMGBH-JKIFEVAISA-N 1 3 303.450 2.194 20 0 DEADHO CC(=O)NCCc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000424378489 278118441 /nfs/dbraw/zinc/11/84/41/278118441.db2.gz STXGUYFPUDNXCS-MORSLUCNSA-N 1 3 303.450 2.286 20 0 DEADHO CC1(C)CCCN(CCNC(=O)NCC2([NH3+])CCCCC2)C1 ZINC000418314831 278214886 /nfs/dbraw/zinc/21/48/86/278214886.db2.gz JTKYMOFFKLDPRE-UHFFFAOYSA-N 1 3 310.486 2.069 20 0 DEADHO CC1(C)CCCN[C@@H]1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000423422549 278220284 /nfs/dbraw/zinc/22/02/84/278220284.db2.gz BIKBAJHAEFBTEG-JKSUJKDBSA-N 1 3 307.482 2.099 20 0 DEADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000340907597 288096168 /nfs/dbraw/zinc/09/61/68/288096168.db2.gz XSXUKWJVKMUUQD-KFWWJZLASA-N 1 3 321.490 2.199 20 0 DEADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000340907597 288096170 /nfs/dbraw/zinc/09/61/70/288096170.db2.gz XSXUKWJVKMUUQD-KFWWJZLASA-N 1 3 321.490 2.199 20 0 DEADHO CCN(C)CCNC(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000120724251 279030308 /nfs/dbraw/zinc/03/03/08/279030308.db2.gz UWQKZUJNGMMOQT-UHFFFAOYSA-N 1 3 320.481 2.279 20 0 DEADHO CC[NH+](CC)CCCNC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000350899867 279097027 /nfs/dbraw/zinc/09/70/27/279097027.db2.gz MWJPPTNQNAYCSN-OAHLLOKOSA-N 1 3 312.502 2.090 20 0 DEADHO CC[NH+](CC)CCCNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000079115120 279098042 /nfs/dbraw/zinc/09/80/42/279098042.db2.gz JFNSFOYWLZOMKT-UHFFFAOYSA-N 1 3 320.481 2.279 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000289782662 288104181 /nfs/dbraw/zinc/10/41/81/288104181.db2.gz MUKOGSNTMWCRJV-VKSUQKOCSA-N 1 3 302.462 2.471 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000289782662 288104182 /nfs/dbraw/zinc/10/41/82/288104182.db2.gz MUKOGSNTMWCRJV-VKSUQKOCSA-N 1 3 302.462 2.471 20 0 DEADHO CC[N@H+](CCNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1)C(C)C ZINC000488685626 279195004 /nfs/dbraw/zinc/19/50/04/279195004.db2.gz NTZRMAOCAWEVTC-BRWVUGGUSA-N 1 3 324.513 2.088 20 0 DEADHO CC[N@@H+](CCNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1)C(C)C ZINC000488685626 279195006 /nfs/dbraw/zinc/19/50/06/279195006.db2.gz NTZRMAOCAWEVTC-BRWVUGGUSA-N 1 3 324.513 2.088 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000111510165 279281210 /nfs/dbraw/zinc/28/12/10/279281210.db2.gz SLXKHROEUZGWKC-HOTGVXAUSA-N 1 3 310.486 2.034 20 0 DEADHO CCN1CCCC[C@H]1CNC(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000111510165 279281212 /nfs/dbraw/zinc/28/12/12/279281212.db2.gz SLXKHROEUZGWKC-HOTGVXAUSA-N 1 3 310.486 2.034 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+][C@@H]2CC[C@H](OC)C2)CC1 ZINC000471807523 279375582 /nfs/dbraw/zinc/37/55/82/279375582.db2.gz CBHDUVJHFSUOBQ-MSOLQXFVSA-N 1 3 317.477 2.486 20 0 DEADHO C[C@@H]1CN(CC2CCN(CC[NH2+]C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000414698019 288152884 /nfs/dbraw/zinc/15/28/84/288152884.db2.gz XCAOYNJAVTXMTN-HZPDHXFCSA-N 1 3 311.514 2.196 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCc3c2cnn3C)C[C@H](C)O1 ZINC000247116490 288161231 /nfs/dbraw/zinc/16/12/31/288161231.db2.gz UHXBCDGJNHLVCV-UXLLHSPISA-N 1 3 320.481 2.277 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000417696020 280253201 /nfs/dbraw/zinc/25/32/01/280253201.db2.gz GKDGODFARQMEKO-OAGGEKHMSA-N 1 3 310.486 2.068 20 0 DEADHO CC[C@@H]1CCC[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000414207315 280307136 /nfs/dbraw/zinc/30/71/36/280307136.db2.gz ZLNVFLCPPLESMS-MSOLQXFVSA-N 1 3 323.525 2.341 20 0 DEADHO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000415075090 280406183 /nfs/dbraw/zinc/40/61/83/280406183.db2.gz BAOWDLLUXXDDOM-TWMKSMIVSA-N 1 3 309.498 2.234 20 0 DEADHO CC[C@H]1CCCCN1CCNC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000417698425 281053608 /nfs/dbraw/zinc/05/36/08/281053608.db2.gz JABMIBRONPZZCR-INIZCTEOSA-N 1 3 322.497 2.036 20 0 DEADHO CC(C)c1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000103211680 281651461 /nfs/dbraw/zinc/65/14/61/281651461.db2.gz QFCJRZZCMNQHTR-UHFFFAOYSA-N 1 3 305.466 2.375 20 0 DEADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H](N)C3CCC3)C2)CC1 ZINC000423359329 281824830 /nfs/dbraw/zinc/82/48/30/281824830.db2.gz OWYLFYKSAHKWND-NVXWUHKLSA-N 1 3 307.482 2.084 20 0 DEADHO CN(C)C/C=C\C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491909812 282021040 /nfs/dbraw/zinc/02/10/40/282021040.db2.gz XJNQAZBCUVXSQH-SECOEOQKSA-N 1 3 307.482 2.219 20 0 DEADHO CN(C)C(=O)[C@H](c1ccccc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357070302 289015665 /nfs/dbraw/zinc/01/56/65/289015665.db2.gz GDOIYQLHDKKWTI-MSOLQXFVSA-N 1 3 315.461 2.137 20 0 DEADHO CN(C)C1(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CCC1 ZINC000446620823 289047546 /nfs/dbraw/zinc/04/75/46/289047546.db2.gz SOWNRKDDXOSTSE-MRXNPFEDSA-N 1 3 322.497 2.131 20 0 DEADHO CN(C)Cc1cccc(CNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000417076675 289225381 /nfs/dbraw/zinc/22/53/81/289225381.db2.gz WNKKYFSQHVCTPD-IRXDYDNUSA-N 1 3 318.465 2.065 20 0 DEADHO C[C@H](C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)[C@@H](N)c1ccccc1 ZINC000261713314 289301990 /nfs/dbraw/zinc/30/19/90/289301990.db2.gz LEZYLKDYRFGWBB-RYQLBKOJSA-N 1 3 315.461 2.409 20 0 DEADHO CCCN(C)CC(=O)NCC1(C)CC[NH+](CC[C@H](C)F)CC1 ZINC001423670080 1173479336 /nfs/dbraw/zinc/47/93/36/1173479336.db2.gz SHQJHXMPKHAHNI-HNNXBMFYSA-N 1 3 315.477 2.295 20 0 DEADHO COc1cc([C@H](C)N[C@@H]2CCCC[C@@H]2C[NH3+])ccc1OCCO ZINC000422975066 295024425 /nfs/dbraw/zinc/02/44/25/295024425.db2.gz SEZONUKRBBRKDY-NUEKZKHPSA-N 1 3 322.449 2.234 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[NH2+]C2(c3ccccc3)CCCC2)C1 ZINC000414717408 295216656 /nfs/dbraw/zinc/21/66/56/295216656.db2.gz ZJAUTUVSVZYUEI-INIZCTEOSA-N 1 3 315.461 2.243 20 0 DEADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc(CN2CCCC2=O)cc1 ZINC000422713597 295255987 /nfs/dbraw/zinc/25/59/87/295255987.db2.gz KCTJGMYDIKHJMA-IRXDYDNUSA-N 1 3 301.434 2.026 20 0 DEADHO [NH3+][C@@H]1CCC[C@H]1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000262129792 295314197 /nfs/dbraw/zinc/31/41/97/295314197.db2.gz LJBXWXXNVQMSKX-BRWVUGGUSA-N 1 3 301.434 2.067 20 0 DEADHO COc1cccc([C@@H](CN[C@H](C)C2C[NH2+]C2)N2CCCC2)c1 ZINC000422751047 295314595 /nfs/dbraw/zinc/31/45/95/295314595.db2.gz BWAZGRHLQOPDNZ-RDTXWAMCSA-N 1 3 303.450 2.030 20 0 DEADHO O=C(CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)N1CCCCC1 ZINC000262326260 295475951 /nfs/dbraw/zinc/47/59/51/295475951.db2.gz RVZJYNHBVDUYRW-YESZJQIVSA-N 1 3 307.482 2.289 20 0 DEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC(C)(C)[NH3+])N(C)C ZINC000418182632 302204741 /nfs/dbraw/zinc/20/47/41/302204741.db2.gz NBVXTQQLIYXOJF-ZFWWWQNUSA-N 1 3 306.454 2.023 20 0 DEADHO N[C@H](CC1CCCCC1)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423724969 303479720 /nfs/dbraw/zinc/47/97/20/303479720.db2.gz SBXPXQXLWHIEHB-BRWVUGGUSA-N 1 3 307.482 2.132 20 0 DEADHO [NH3+][C@@H](CCC(=O)NCCNc1ccncc1)CC1CCCCC1 ZINC000574570194 326166777 /nfs/dbraw/zinc/16/67/77/326166777.db2.gz HWKJMIPGYXLTEU-INIZCTEOSA-N 1 3 318.465 2.110 20 0 DEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)NCCC[NH2+]C(C)C ZINC000575734768 326241461 /nfs/dbraw/zinc/24/14/61/326241461.db2.gz WAQWHYFLXCRHSB-INIZCTEOSA-N 1 3 312.502 2.184 20 0 DEADHO CCC[N@@H+]1CC[C@@H](CNCCC(=O)Nc2ccc(C)cn2)C1 ZINC000576030438 326264195 /nfs/dbraw/zinc/26/41/95/326264195.db2.gz XSINSBXBMPXAIA-HNNXBMFYSA-N 1 3 304.438 2.040 20 0 DEADHO CCC[N@H+]1CC[C@@H](CNCCC(=O)Nc2ccc(C)cn2)C1 ZINC000576030438 326264196 /nfs/dbraw/zinc/26/41/96/326264196.db2.gz XSINSBXBMPXAIA-HNNXBMFYSA-N 1 3 304.438 2.040 20 0 DEADHO CCCN1CC[C@@H](C[NH2+]CCC(=O)Nc2ccc(C)cn2)C1 ZINC000576030438 326264199 /nfs/dbraw/zinc/26/41/99/326264199.db2.gz XSINSBXBMPXAIA-HNNXBMFYSA-N 1 3 304.438 2.040 20 0 DEADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCC[NH2+]C1CCCCCC1 ZINC000576807985 326320432 /nfs/dbraw/zinc/32/04/32/326320432.db2.gz XLZNWKGYGRXGFN-WMLDXEAASA-N 1 3 322.497 2.081 20 0 DEADHO C[C@@H]1COCCN1C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000577020198 326336751 /nfs/dbraw/zinc/33/67/51/326336751.db2.gz CYRZCQLPSAKPMG-QGZVFWFLSA-N 1 3 309.498 2.048 20 0 DEADHO Cc1cccc(OCCCNC[C@@H](O)C[N@@H+](C)C2CC2)c1C ZINC000577099023 326342808 /nfs/dbraw/zinc/34/28/08/326342808.db2.gz RUZKQSUSUQWIHF-QGZVFWFLSA-N 1 3 306.450 2.117 20 0 DEADHO Cc1cccc(OCCCNC[C@@H](O)C[N@H+](C)C2CC2)c1C ZINC000577099023 326342810 /nfs/dbraw/zinc/34/28/10/326342810.db2.gz RUZKQSUSUQWIHF-QGZVFWFLSA-N 1 3 306.450 2.117 20 0 DEADHO CC[NH2+]CCCNC(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000584042903 331649785 /nfs/dbraw/zinc/64/97/85/331649785.db2.gz GJOYEPGSHGXROX-NVXWUHKLSA-N 1 3 320.481 2.285 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](NCCOc2cccc(C(F)(F)F)n2)C1 ZINC000580095291 332938638 /nfs/dbraw/zinc/93/86/38/332938638.db2.gz OWIJFMRRFLXFET-GHMZBOCLSA-N 1 3 303.328 2.339 20 0 DEADHO CN(C)C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000583089009 337239285 /nfs/dbraw/zinc/23/92/85/337239285.db2.gz GCMDCEWRUOYYNF-LSDHHAIUSA-N 1 3 323.868 2.053 20 0 DEADHO CN(C)C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000583089009 337239286 /nfs/dbraw/zinc/23/92/86/337239286.db2.gz GCMDCEWRUOYYNF-LSDHHAIUSA-N 1 3 323.868 2.053 20 0 DEADHO Cc1cnc(CCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000584523844 337355330 /nfs/dbraw/zinc/35/53/30/337355330.db2.gz AWOKTRLZAWNSLP-HKUYNNGSSA-N 1 3 324.428 2.173 20 0 DEADHO CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000191058921 337398782 /nfs/dbraw/zinc/39/87/82/337398782.db2.gz RBZTVMLOVFOBNB-FUHWJXTLSA-N 1 3 321.509 2.369 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001378191682 1152205716 /nfs/dbraw/zinc/20/57/16/1152205716.db2.gz HFOIXVMRLSVLLC-KBPBESRZSA-N 1 3 319.440 2.200 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[N@@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001378191682 1152205724 /nfs/dbraw/zinc/20/57/24/1152205724.db2.gz HFOIXVMRLSVLLC-KBPBESRZSA-N 1 3 319.440 2.200 20 0 DEADHO CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001376563335 1159541701 /nfs/dbraw/zinc/54/17/01/1159541701.db2.gz RMQOUIKEAYVNQS-QGZVFWFLSA-N 1 3 305.466 2.341 20 0 DEADHO CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001376563335 1159541717 /nfs/dbraw/zinc/54/17/17/1159541717.db2.gz RMQOUIKEAYVNQS-QGZVFWFLSA-N 1 3 305.466 2.341 20 0 DEADHO CC1CC(C[N@H+](C)CCCN(C)C(=O)C2(N(C)C)CCC2)C1 ZINC001376936643 1159850767 /nfs/dbraw/zinc/85/07/67/1159850767.db2.gz AQHOWRAYFZORSU-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CC1CC(C[N@@H+](C)CCCN(C)C(=O)C2(N(C)C)CCC2)C1 ZINC001376936643 1159850771 /nfs/dbraw/zinc/85/07/71/1159850771.db2.gz AQHOWRAYFZORSU-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001378779137 1152444295 /nfs/dbraw/zinc/44/42/95/1152444295.db2.gz OEHHDECLBQMGHQ-GDBMZVCRSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H](C)CNC/C(Cl)=C/Cl)[NH+](C)C ZINC001438510840 1180517466 /nfs/dbraw/zinc/51/74/66/1180517466.db2.gz YCIJNWFRIWDTSO-XTRMEEPQSA-N 1 3 324.296 2.234 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)N(C)C1CC([NH3+])C1)c1ccccc1 ZINC000417626417 533781299 /nfs/dbraw/zinc/78/12/99/533781299.db2.gz NCSLEBQVBRJGST-JEYLPNPQSA-N 1 3 318.465 2.247 20 0 DEADHO C[C@H](CCC[NH3+])N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000423025093 533875844 /nfs/dbraw/zinc/87/58/44/533875844.db2.gz NMJMVDPJVCZEHQ-YGRLFVJLSA-N 1 3 313.804 2.301 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC(C)(C)[NH3+] ZINC000418413038 533954375 /nfs/dbraw/zinc/95/43/75/533954375.db2.gz IWHJHGQWWSFOAL-HNNXBMFYSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000443077646 534056877 /nfs/dbraw/zinc/05/68/77/534056877.db2.gz VCGMTEYUGXWSLB-LSDHHAIUSA-N 1 3 321.440 2.406 20 0 DEADHO COc1ccc(NC(=O)CCN2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1 ZINC000422635616 534068890 /nfs/dbraw/zinc/06/88/90/534068890.db2.gz LTFWIITYANLUGX-KFWWJZLASA-N 1 3 319.449 2.329 20 0 DEADHO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](CN)[C@H](C)C[C@H]2C)cc1 ZINC000422635616 534068901 /nfs/dbraw/zinc/06/89/01/534068901.db2.gz LTFWIITYANLUGX-KFWWJZLASA-N 1 3 319.449 2.329 20 0 DEADHO COc1ccc(NC(=O)CC[N@H+]2C[C@H](CN)[C@H](C)C[C@H]2C)cc1 ZINC000422635616 534068906 /nfs/dbraw/zinc/06/89/06/534068906.db2.gz LTFWIITYANLUGX-KFWWJZLASA-N 1 3 319.449 2.329 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@@H]1Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000422983645 534090341 /nfs/dbraw/zinc/09/03/41/534090341.db2.gz ULOGTATWVSOVHC-BEFAXECRSA-N 1 3 317.477 2.301 20 0 DEADHO C[C@@H]1CCNC[C@H]1[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000422703864 534099203 /nfs/dbraw/zinc/09/92/03/534099203.db2.gz JDUKMIAOHBWNQS-HZPDHXFCSA-N 1 3 311.539 2.326 20 0 DEADHO COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCNCC[C@H]2C)C1 ZINC000422857524 534150677 /nfs/dbraw/zinc/15/06/77/534150677.db2.gz YKEYIAYQJXVPLI-BRWVUGGUSA-N 1 3 317.477 2.499 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001378846201 1152465249 /nfs/dbraw/zinc/46/52/49/1152465249.db2.gz QZIHEELLPTWZEP-XIRDDKMYSA-N 1 3 323.525 2.493 20 0 DEADHO COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N ZINC000423028002 534204083 /nfs/dbraw/zinc/20/40/83/534204083.db2.gz SFEUGSJUSRPDGL-QKPAOTATSA-N 1 3 322.449 2.052 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)C[N@H+](C)CC1CC(F)(F)C1)N(C)C ZINC001401802221 1162137377 /nfs/dbraw/zinc/13/73/77/1162137377.db2.gz UOFLWGNICLQCPD-TZMCWYRMSA-N 1 3 319.440 2.054 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)C[N@@H+](C)CC1CC(F)(F)C1)N(C)C ZINC001401802221 1162137379 /nfs/dbraw/zinc/13/73/79/1162137379.db2.gz UOFLWGNICLQCPD-TZMCWYRMSA-N 1 3 319.440 2.054 20 0 DEADHO CC[N@H+](CCNC(=O)c1ccccc1OCCN(C)C)C(C)C ZINC000102479954 521073224 /nfs/dbraw/zinc/07/32/24/521073224.db2.gz LVAFGJJZYDYONJ-UHFFFAOYSA-N 1 3 321.465 2.087 20 0 DEADHO CC[N@@H+](CCNC(=O)c1ccccc1OCCN(C)C)C(C)C ZINC000102479954 521073231 /nfs/dbraw/zinc/07/32/31/521073231.db2.gz LVAFGJJZYDYONJ-UHFFFAOYSA-N 1 3 321.465 2.087 20 0 DEADHO CCCC[N@@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C(C)(C)C1 ZINC001368667641 1148562670 /nfs/dbraw/zinc/56/26/70/1148562670.db2.gz JOYDJVFSNLNDQQ-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C(C)(C)C1 ZINC001368667641 1148562677 /nfs/dbraw/zinc/56/26/77/1148562677.db2.gz JOYDJVFSNLNDQQ-OAHLLOKOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@H](C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)N(CC)CC ZINC000339459582 523764767 /nfs/dbraw/zinc/76/47/67/523764767.db2.gz BCECHQFBKYWRGU-DLBZAZTESA-N 1 3 309.498 2.297 20 0 DEADHO C[C@@H](CNC(=O)N(C)C[C@@H]1CCCN(C)C1)C[NH+]1CCCCC1 ZINC000115805746 524663230 /nfs/dbraw/zinc/66/32/30/524663230.db2.gz YDAWPHKPIDWPKE-DLBZAZTESA-N 1 3 324.513 2.092 20 0 DEADHO C1CC1[C@H](NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CNCCO1 ZINC000422817877 526421623 /nfs/dbraw/zinc/42/16/23/526421623.db2.gz FCDIFEZPLSRGKH-OALUTQOASA-N 1 3 321.509 2.140 20 0 DEADHO CC(C)(CC[NH3+])NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000422590215 527026833 /nfs/dbraw/zinc/02/68/33/527026833.db2.gz KXEMJDQJEOYVJS-INIZCTEOSA-N 1 3 318.465 2.078 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](O)[C@H](C)C2)CC1 ZINC000428488188 527711377 /nfs/dbraw/zinc/71/13/77/527711377.db2.gz SAPNXSFTRZJFRH-APWZRJJASA-N 1 3 317.477 2.031 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@H](O)[C@H](C)C2)CC1 ZINC000428488188 527711381 /nfs/dbraw/zinc/71/13/81/527711381.db2.gz SAPNXSFTRZJFRH-APWZRJJASA-N 1 3 317.477 2.031 20 0 DEADHO CC1(C)C[C@H](NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)CO1 ZINC000417977642 527744176 /nfs/dbraw/zinc/74/41/76/527744176.db2.gz HDFWNBFAUNAUQJ-ROUUACIJSA-N 1 3 318.461 2.300 20 0 DEADHO CC1(C)C[C@H](NCc2ccccc2C[N@H+]2CCC[C@H]2CO)CO1 ZINC000417977642 527744177 /nfs/dbraw/zinc/74/41/77/527744177.db2.gz HDFWNBFAUNAUQJ-ROUUACIJSA-N 1 3 318.461 2.300 20 0 DEADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCN[C@H](C)[C@H]2C)c1 ZINC000417404669 527843562 /nfs/dbraw/zinc/84/35/62/527843562.db2.gz OYJRZLLVLGCUOB-HUUCEWRRSA-N 1 3 318.465 2.030 20 0 DEADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCN[C@H](C)[C@H]2C)c1 ZINC000417404669 527843569 /nfs/dbraw/zinc/84/35/69/527843569.db2.gz OYJRZLLVLGCUOB-HUUCEWRRSA-N 1 3 318.465 2.030 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000418448014 527843997 /nfs/dbraw/zinc/84/39/97/527843997.db2.gz IYOSZXSWHOVXBR-NVXWUHKLSA-N 1 3 318.465 2.060 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000418448014 527844001 /nfs/dbraw/zinc/84/40/01/527844001.db2.gz IYOSZXSWHOVXBR-NVXWUHKLSA-N 1 3 318.465 2.060 20 0 DEADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](C)NC1CC1 ZINC000294801173 528200255 /nfs/dbraw/zinc/20/02/55/528200255.db2.gz PLYPBMTYHUJWKL-CQSZACIVSA-N 1 3 303.450 2.285 20 0 DEADHO CC[NH2+]CC1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000422883897 528288633 /nfs/dbraw/zinc/28/86/33/528288633.db2.gz DDHNZJPSNBCVMM-UHFFFAOYSA-N 1 3 303.450 2.210 20 0 DEADHO CCC[NH2+]CCNC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418487740 528500781 /nfs/dbraw/zinc/50/07/81/528500781.db2.gz JAISEBAYQKQUEB-KRWDZBQOSA-N 1 3 314.433 2.138 20 0 DEADHO CCOc1cccc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422992483 528643165 /nfs/dbraw/zinc/64/31/65/528643165.db2.gz CRKMCCWKYSVAQP-CEXWTWQISA-N 1 3 318.461 2.375 20 0 DEADHO CC(C)[C@@H]1CCC[C@@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414200934 528681495 /nfs/dbraw/zinc/68/14/95/528681495.db2.gz SAOHOKBESNFBLF-ROUUACIJSA-N 1 3 323.525 2.197 20 0 DEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418408225 528779175 /nfs/dbraw/zinc/77/91/75/528779175.db2.gz UMMOJVYOLQOTGJ-KRWDZBQOSA-N 1 3 318.465 2.017 20 0 DEADHO CCCC[C@@H](C[NH3+])NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000418446099 528803988 /nfs/dbraw/zinc/80/39/88/528803988.db2.gz AAQTWEAZUJXLEB-HNNXBMFYSA-N 1 3 310.486 2.164 20 0 DEADHO CCC([NH3+])(CC)CNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000418177964 528941094 /nfs/dbraw/zinc/94/10/94/528941094.db2.gz IBWOSCCXUDUQGN-GDBMZVCRSA-N 1 3 320.481 2.495 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000417755039 528963895 /nfs/dbraw/zinc/96/38/95/528963895.db2.gz WNBXBBXFZWDONH-QGZVFWFLSA-N 1 3 318.465 2.108 20 0 DEADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC(C)(C)C[NH3+] ZINC000418035645 528989339 /nfs/dbraw/zinc/98/93/39/528989339.db2.gz PPNZOYUMDQNWAF-INIZCTEOSA-N 1 3 320.481 2.180 20 0 DEADHO CC1(C)CN(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CCN1 ZINC000418138653 529086715 /nfs/dbraw/zinc/08/67/15/529086715.db2.gz GRDHOMADSIFPES-INIZCTEOSA-N 1 3 322.497 2.177 20 0 DEADHO CC1(C)CN(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CCN1 ZINC000418138653 529086718 /nfs/dbraw/zinc/08/67/18/529086718.db2.gz GRDHOMADSIFPES-INIZCTEOSA-N 1 3 322.497 2.177 20 0 DEADHO CCN1CCN(Cc2ccc(N[C@@H](C)[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000422916024 529149458 /nfs/dbraw/zinc/14/94/58/529149458.db2.gz CENLWFYMOMJZBW-LPHOPBHVSA-N 1 3 316.493 2.377 20 0 DEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](N)c1ccccc1 ZINC000417709273 529200743 /nfs/dbraw/zinc/20/07/43/529200743.db2.gz WOKHGEMVUSQTQL-DLBZAZTESA-N 1 3 318.465 2.250 20 0 DEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](N)c1ccccc1 ZINC000417709273 529200744 /nfs/dbraw/zinc/20/07/44/529200744.db2.gz WOKHGEMVUSQTQL-DLBZAZTESA-N 1 3 318.465 2.250 20 0 DEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H](C2CC2)[C@@H]2CNCCO2)C1 ZINC000422911637 529297979 /nfs/dbraw/zinc/29/79/79/529297979.db2.gz UBGSOVAFWMPHAC-BPQIPLTHSA-N 1 3 323.525 2.244 20 0 DEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@H](C2CC2)[C@@H]2CNCCO2)C1 ZINC000422911637 529297981 /nfs/dbraw/zinc/29/79/81/529297981.db2.gz UBGSOVAFWMPHAC-BPQIPLTHSA-N 1 3 323.525 2.244 20 0 DEADHO CC[C@H](CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])Oc1cccc(C)c1 ZINC000422922494 529369785 /nfs/dbraw/zinc/36/97/85/529369785.db2.gz SXEHYDQJEYVQEF-XYVMCAHJSA-N 1 3 306.450 2.494 20 0 DEADHO CCCN(C(=O)[C@@H](C)C[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000262417677 535230234 /nfs/dbraw/zinc/23/02/34/535230234.db2.gz RIRHYRRUAPJAKT-FUHWJXTLSA-N 1 3 317.477 2.484 20 0 DEADHO CCN1CCN(CCCC[NH2+]CCCc2ccc(C)nc2)CC1 ZINC000353918930 535693455 /nfs/dbraw/zinc/69/34/55/535693455.db2.gz VSXXUAXHMJTKBI-UHFFFAOYSA-N 1 3 318.509 2.330 20 0 DEADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc(C)cc2OC)CC1 ZINC000449131062 535717421 /nfs/dbraw/zinc/71/74/21/535717421.db2.gz JVUJECCOKSQPOO-QGZVFWFLSA-N 1 3 319.493 2.367 20 0 DEADHO CC[C@H](C)[C@@H](N)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000163854372 535848571 /nfs/dbraw/zinc/84/85/71/535848571.db2.gz FXDHQEQWLCZNKN-WMLDXEAASA-N 1 3 303.450 2.272 20 0 DEADHO CN(C)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000371512487 535998956 /nfs/dbraw/zinc/99/89/56/535998956.db2.gz XIHGOVWLFNGJQZ-IAGOWNOFSA-N 1 3 301.434 2.105 20 0 DEADHO CN(C)Cc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000371512487 535998957 /nfs/dbraw/zinc/99/89/57/535998957.db2.gz XIHGOVWLFNGJQZ-IAGOWNOFSA-N 1 3 301.434 2.105 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000456321096 536024684 /nfs/dbraw/zinc/02/46/84/536024684.db2.gz PEOYFJLJNJCARX-ALOPSCKCSA-N 1 3 301.434 2.103 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000456321096 536024689 /nfs/dbraw/zinc/02/46/89/536024689.db2.gz PEOYFJLJNJCARX-ALOPSCKCSA-N 1 3 301.434 2.103 20 0 DEADHO CN(CCC1CC[NH2+]CC1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000359228380 536323241 /nfs/dbraw/zinc/32/32/41/536323241.db2.gz WVNWSTPDUURXET-QGZVFWFLSA-N 1 3 319.424 2.253 20 0 DEADHO C[N@H+](CCCCN[C@@H](c1nnc[nH]1)c1ccc(F)cc1)C1CC1 ZINC000453391491 536338981 /nfs/dbraw/zinc/33/89/81/536338981.db2.gz DOFXREFPFLDXRW-MRXNPFEDSA-N 1 3 317.412 2.497 20 0 DEADHO C[N@@H+](CCCCN[C@@H](c1nnc[nH]1)c1ccc(F)cc1)C1CC1 ZINC000453391491 536338984 /nfs/dbraw/zinc/33/89/84/536338984.db2.gz DOFXREFPFLDXRW-MRXNPFEDSA-N 1 3 317.412 2.497 20 0 DEADHO CN1CCCC[C@H]1CC[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000372786320 536355952 /nfs/dbraw/zinc/35/59/52/536355952.db2.gz RRAYXAVAWNKHKN-IBGZPJMESA-N 1 3 323.525 2.295 20 0 DEADHO C[N@@H+]1CCCC[C@H]1CCN1CCC(CCN2CCOCC2)CC1 ZINC000372786320 536355956 /nfs/dbraw/zinc/35/59/56/536355956.db2.gz RRAYXAVAWNKHKN-IBGZPJMESA-N 1 3 323.525 2.295 20 0 DEADHO C[N@H+]1CCCC[C@H]1CCN1CCC(CCN2CCOCC2)CC1 ZINC000372786320 536355959 /nfs/dbraw/zinc/35/59/59/536355959.db2.gz RRAYXAVAWNKHKN-IBGZPJMESA-N 1 3 323.525 2.295 20 0 DEADHO CN1CCC[C@H](CNC(=O)C2CC[NH2+]CC2)[C@H]1c1cccs1 ZINC000372105223 536385501 /nfs/dbraw/zinc/38/55/01/536385501.db2.gz IDYIBHGUJVXAEM-ZBFHGGJFSA-N 1 3 321.490 2.247 20 0 DEADHO COC1(C[NH2+]Cc2ccnc(OCCN(C)C)c2)CCCCC1 ZINC000359692926 536680490 /nfs/dbraw/zinc/68/04/90/536680490.db2.gz ZUYOBWYYUPRIGI-UHFFFAOYSA-N 1 3 321.465 2.461 20 0 DEADHO COc1nccc(CNCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC000449080902 537142664 /nfs/dbraw/zinc/14/26/64/537142664.db2.gz AFSWBWADAUKWPO-GJZGRUSLSA-N 1 3 306.454 2.333 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)CC[N@@H+]1CCC1CC1 ZINC001368696400 1148586093 /nfs/dbraw/zinc/58/60/93/1148586093.db2.gz QPNSHIZQZUJIFU-ZBFHGGJFSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)CC[N@H+]1CCC1CC1 ZINC001368696400 1148586108 /nfs/dbraw/zinc/58/61/08/1148586108.db2.gz QPNSHIZQZUJIFU-ZBFHGGJFSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]CCc1cccs1 ZINC001379211871 1152590838 /nfs/dbraw/zinc/59/08/38/1152590838.db2.gz CPFFMSPNYLVQJX-GJZGRUSLSA-N 1 3 323.506 2.069 20 0 DEADHO C[C@@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]CCc1cccs1 ZINC001379211867 1152591085 /nfs/dbraw/zinc/59/10/85/1152591085.db2.gz CPFFMSPNYLVQJX-CABCVRRESA-N 1 3 323.506 2.069 20 0 DEADHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001379236941 1152594473 /nfs/dbraw/zinc/59/44/73/1152594473.db2.gz HYVIFTMMXYTMMP-WMLDXEAASA-N 1 3 323.456 2.433 20 0 DEADHO CCc1cccc(C[NH2+]C[C@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001379516589 1152635751 /nfs/dbraw/zinc/63/57/51/1152635751.db2.gz NFZPEKCHROJORH-HNNXBMFYSA-N 1 3 317.477 2.328 20 0 DEADHO Cc1cc(F)ccc1C[NH2+]C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001379517108 1152635851 /nfs/dbraw/zinc/63/58/51/1152635851.db2.gz QLLMZFLWHNYDHA-AWEZNQCLSA-N 1 3 321.440 2.213 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CN(C)C(C)C)C2)c1 ZINC001379593756 1152648325 /nfs/dbraw/zinc/64/83/25/1152648325.db2.gz YDEPHRLJOQJGKF-AEFFLSMTSA-N 1 3 317.477 2.414 20 0 DEADHO CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000821189753 606658790 /nfs/dbraw/zinc/65/87/90/606658790.db2.gz SDKGZJYEFNHLLD-CQSZACIVSA-N 1 3 316.453 2.467 20 0 DEADHO CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000821189753 606658791 /nfs/dbraw/zinc/65/87/91/606658791.db2.gz SDKGZJYEFNHLLD-CQSZACIVSA-N 1 3 316.453 2.467 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccsc1)C1CC1)N(C)C ZINC001379873341 1152707309 /nfs/dbraw/zinc/70/73/09/1152707309.db2.gz NWPXWZNLMOQDLJ-LSDHHAIUSA-N 1 3 309.479 2.073 20 0 DEADHO CC[C@@H](C)C[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001381012108 1152892259 /nfs/dbraw/zinc/89/22/59/1152892259.db2.gz NSQACLCAHAHHFB-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C1C[NH+](CCC2CCCC2)C1 ZINC001381823723 1153239201 /nfs/dbraw/zinc/23/92/01/1153239201.db2.gz AWOBBPFFQUXRPA-OAHLLOKOSA-N 1 3 309.498 2.343 20 0 DEADHO CN(CCC[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C)CC(F)(F)F ZINC000925545945 625307438 /nfs/dbraw/zinc/30/74/38/625307438.db2.gz DPMXYEGSAGSQOG-FRRDWIJNSA-N 1 3 307.404 2.237 20 0 DEADHO CN(CCCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)CC(F)(F)F ZINC000925545945 625307440 /nfs/dbraw/zinc/30/74/40/625307440.db2.gz DPMXYEGSAGSQOG-FRRDWIJNSA-N 1 3 307.404 2.237 20 0 DEADHO CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]12 ZINC001026424968 625449388 /nfs/dbraw/zinc/44/93/88/625449388.db2.gz ALPBWBZKZHYYJG-BPQIPLTHSA-N 1 3 315.461 2.208 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@H](C[NH2+]CC3CCCC3)C2)CCC1 ZINC001024017015 625543474 /nfs/dbraw/zinc/54/34/74/625543474.db2.gz RMYKBWVRYNMBQE-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](NCc3ccsc3)C2)CC[N@@H+]1C ZINC000969721623 622895756 /nfs/dbraw/zinc/89/57/56/622895756.db2.gz IFUZOWQCKQDBCP-CWRNSKLLSA-N 1 3 321.490 2.169 20 0 DEADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](NCc3ccsc3)C2)CC[N@H+]1C ZINC000969721623 622895763 /nfs/dbraw/zinc/89/57/63/622895763.db2.gz IFUZOWQCKQDBCP-CWRNSKLLSA-N 1 3 321.490 2.169 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1 ZINC001021091878 623337007 /nfs/dbraw/zinc/33/70/07/623337007.db2.gz YUKYATLOWQZPDU-LAQRGFTBSA-N 1 3 315.461 2.296 20 0 DEADHO C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C1CN(CCCF)C1 ZINC000970593418 623563921 /nfs/dbraw/zinc/56/39/21/623563921.db2.gz LOAKGSUTRGDWSR-CQSZACIVSA-N 1 3 321.440 2.158 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CC2)C1 ZINC001024185660 625661076 /nfs/dbraw/zinc/66/10/76/625661076.db2.gz DYLIBKNMLDDEBV-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)([NH3+])CCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000891349866 624048246 /nfs/dbraw/zinc/04/82/46/624048246.db2.gz KRMUDNYWJCHANU-MRXNPFEDSA-N 1 3 318.465 2.250 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H]([N@H+](C)CC3CCCC3)C2)CCC1 ZINC000971674762 624499382 /nfs/dbraw/zinc/49/93/82/624499382.db2.gz WQWREQKWMPTGJN-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@H]([N@@H+](C)CC3CCCC3)C2)CCC1 ZINC000971674762 624499383 /nfs/dbraw/zinc/49/93/83/624499383.db2.gz WQWREQKWMPTGJN-INIZCTEOSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC2CCCC2)C1)C1CC1 ZINC000971677417 624501290 /nfs/dbraw/zinc/50/12/90/624501290.db2.gz KGSOYHQGNIRDGJ-IAGOWNOFSA-N 1 3 307.482 2.050 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2CCCC2)C1)C1CC1 ZINC000971677417 624501294 /nfs/dbraw/zinc/50/12/94/624501294.db2.gz KGSOYHQGNIRDGJ-IAGOWNOFSA-N 1 3 307.482 2.050 20 0 DEADHO CN(CCCCCC[NH3+])C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000891864072 624633629 /nfs/dbraw/zinc/63/36/29/624633629.db2.gz FXWQIFYKHFWUOM-HNNXBMFYSA-N 1 3 312.502 2.267 20 0 DEADHO CCC1([NH3+])CCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000891865636 624633980 /nfs/dbraw/zinc/63/39/80/624633980.db2.gz RSVMDRBKLBCFCZ-CQSZACIVSA-N 1 3 310.486 2.020 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N(C)[C@@H]2CCCN(C)C2)C1 ZINC000891903349 624654369 /nfs/dbraw/zinc/65/43/69/624654369.db2.gz KCRJBPBNHHLEJE-IAGOWNOFSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(C)[C@@H]2CCCN(C)C2)C1 ZINC000891903349 624654371 /nfs/dbraw/zinc/65/43/71/624654371.db2.gz KCRJBPBNHHLEJE-IAGOWNOFSA-N 1 3 324.513 2.234 20 0 DEADHO CN(C(=O)NCCCCCCC[NH+](C)C)[C@@H]1CCCN(C)C1 ZINC000892339671 625164404 /nfs/dbraw/zinc/16/44/04/625164404.db2.gz ILJRIZXBJBAVAM-MRXNPFEDSA-N 1 3 312.502 2.234 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1 ZINC001023128542 625164945 /nfs/dbraw/zinc/16/49/45/625164945.db2.gz JFLJFHHDHNXJFU-IXDOHACOSA-N 1 3 307.482 2.288 20 0 DEADHO F[C@@H]1CC2(CC[C@@H]1[NH2+]C1CCN(CC3CC3)CC1)OCCO2 ZINC000892624875 625201701 /nfs/dbraw/zinc/20/17/01/625201701.db2.gz YJFNFZDZQVTASI-CVEARBPZSA-N 1 3 312.429 2.084 20 0 DEADHO F[C@@H]1CC2(CC[C@H]1[NH2+]C1CCN(CC3CC3)CC1)OCCO2 ZINC000892624877 625201865 /nfs/dbraw/zinc/20/18/65/625201865.db2.gz YJFNFZDZQVTASI-HZPDHXFCSA-N 1 3 312.429 2.084 20 0 DEADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]CCC2CCCC2)C1 ZINC000999832253 634691472 /nfs/dbraw/zinc/69/14/72/634691472.db2.gz BKFBWCQPXCBPGT-UHFFFAOYSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001000188583 634783517 /nfs/dbraw/zinc/78/35/17/634783517.db2.gz BNOVTTHPLRQOLF-SJLPKXTDSA-N 1 3 315.461 2.252 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@H]([NH2+]CCC2CC2)C(C)(C)C1)N(C)C ZINC000996247242 633218531 /nfs/dbraw/zinc/21/85/31/633218531.db2.gz MNCYVHFAHHUVQZ-JKSUJKDBSA-N 1 3 309.498 2.199 20 0 DEADHO CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974681699 633231243 /nfs/dbraw/zinc/23/12/43/633231243.db2.gz KQNVERMRVOUOER-JKSUJKDBSA-N 1 3 307.482 2.240 20 0 DEADHO CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974681699 633231246 /nfs/dbraw/zinc/23/12/46/633231246.db2.gz KQNVERMRVOUOER-JKSUJKDBSA-N 1 3 307.482 2.240 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]CC2CCCCC2)C1)C1CC1 ZINC001026888947 633243536 /nfs/dbraw/zinc/24/35/36/633243536.db2.gz POPLQCZGZVGHCO-WMZOPIPTSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H](C(=O)N1C[C@@H](NCCF)C(C)(C)C1)[NH+]1CCCCCC1 ZINC000996381762 633251293 /nfs/dbraw/zinc/25/12/93/633251293.db2.gz YKUHXALLNGDWKZ-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]CC)C(C)(C)C1 ZINC000996504469 633269474 /nfs/dbraw/zinc/26/94/74/633269474.db2.gz DPJOZVRNAIEFBE-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC000974768770 633293761 /nfs/dbraw/zinc/29/37/61/633293761.db2.gz UGGTZHHGUSTVAM-HZPDHXFCSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](C)C[N@H+]1C[C@@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC000974768770 633293765 /nfs/dbraw/zinc/29/37/65/633293765.db2.gz UGGTZHHGUSTVAM-HZPDHXFCSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[N@@H+]1C[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974864778 633339572 /nfs/dbraw/zinc/33/95/72/633339572.db2.gz RDRJYSNVOVLFSP-HOTGVXAUSA-N 1 3 307.482 2.096 20 0 DEADHO CC(C)[N@H+]1C[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974864778 633339576 /nfs/dbraw/zinc/33/95/76/633339576.db2.gz RDRJYSNVOVLFSP-HOTGVXAUSA-N 1 3 307.482 2.096 20 0 DEADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]CCC2CCCC2)CC1)C1CC1 ZINC000996676800 633347130 /nfs/dbraw/zinc/34/71/30/633347130.db2.gz IHHMOWBORUSWSJ-GOSISDBHSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](C(=O)N1CCC([NH2+]CC2CC(C)(C)C2)CC1)N(C)C ZINC000996711059 633364902 /nfs/dbraw/zinc/36/49/02/633364902.db2.gz IXPBJWVFJNPROC-MRXNPFEDSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2cccc(C)c2)C1)N(C)C ZINC001027068844 633383846 /nfs/dbraw/zinc/38/38/46/633383846.db2.gz FXDGNMLIJPZQIZ-MSOLQXFVSA-N 1 3 317.477 2.273 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001027062927 633384391 /nfs/dbraw/zinc/38/43/91/633384391.db2.gz FGWPKWFRCCBDIX-JKSUJKDBSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2C)C1)N(C)C ZINC001027070734 633419677 /nfs/dbraw/zinc/41/96/77/633419677.db2.gz WRLIJAFSZJKIEU-WMZOPIPTSA-N 1 3 317.477 2.273 20 0 DEADHO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1)c1ccccc1 ZINC001027217331 633500720 /nfs/dbraw/zinc/50/07/20/633500720.db2.gz IPCJHSBHLHYGRZ-SJORKVTESA-N 1 3 315.461 2.282 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H](C[NH2+]CC3CC3)C2)c1 ZINC001027233849 633506108 /nfs/dbraw/zinc/50/61/08/633506108.db2.gz LWBKMUSKILNIJE-KRWDZBQOSA-N 1 3 315.461 2.210 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCC2)C1 ZINC001027234786 633506164 /nfs/dbraw/zinc/50/61/64/633506164.db2.gz FBQDCZLRXVWIEJ-SJORKVTESA-N 1 3 307.482 2.099 20 0 DEADHO CC1CCN(CC(=O)N2CCC([NH2+]CC3CCC3)CC2)CC1 ZINC000997115765 633594996 /nfs/dbraw/zinc/59/49/96/633594996.db2.gz QTRVDKLEOXLFNG-UHFFFAOYSA-N 1 3 307.482 2.099 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](C(C)C)CC1 ZINC000997587900 633887533 /nfs/dbraw/zinc/88/75/33/633887533.db2.gz QDFINKUICZOCAO-RDJZCZTQSA-N 1 3 309.498 2.484 20 0 DEADHO CCN(C(=O)[C@H]1CCCN1C)[C@H]1CCC[N@H+](CC2CC2)CC1 ZINC000997949719 634073747 /nfs/dbraw/zinc/07/37/47/634073747.db2.gz OFMIUHONASUKAU-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO CCN(C(=O)[C@H]1CCCN1C)[C@H]1CCC[N@@H+](CC2CC2)CC1 ZINC000997949719 634073754 /nfs/dbraw/zinc/07/37/54/634073754.db2.gz OFMIUHONASUKAU-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@@H+]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000977638639 634086952 /nfs/dbraw/zinc/08/69/52/634086952.db2.gz JSAMUQDDCJFREL-MRXNPFEDSA-N 1 3 303.450 2.208 20 0 DEADHO CC[N@H+]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000977638639 634086953 /nfs/dbraw/zinc/08/69/53/634086953.db2.gz JSAMUQDDCJFREL-MRXNPFEDSA-N 1 3 303.450 2.208 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC(C[NH2+]CC2CCC2)CC1)N(C)C ZINC000998047525 634123787 /nfs/dbraw/zinc/12/37/87/634123787.db2.gz PYPQPXIOKPJTMV-QGZVFWFLSA-N 1 3 309.498 2.201 20 0 DEADHO C[N@H+](CC1CCC1)[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027577968 634188471 /nfs/dbraw/zinc/18/84/71/634188471.db2.gz YWHVWPRTQMYFFA-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO C[N@@H+](CC1CCC1)[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027577968 634188476 /nfs/dbraw/zinc/18/84/76/634188476.db2.gz YWHVWPRTQMYFFA-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2CC=C(C)C)CC[N@@H+]1C ZINC001027892667 634890544 /nfs/dbraw/zinc/89/05/44/634890544.db2.gz BOMQMPJIBBKVJW-IXDOHACOSA-N 1 3 307.482 2.264 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2CC=C(C)C)CC[N@H+]1C ZINC001027892667 634890549 /nfs/dbraw/zinc/89/05/49/634890549.db2.gz BOMQMPJIBBKVJW-IXDOHACOSA-N 1 3 307.482 2.264 20 0 DEADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC000980406843 634988782 /nfs/dbraw/zinc/98/87/82/634988782.db2.gz SNOSUZGPBVMMJN-SFHVURJKSA-N 1 3 315.461 2.124 20 0 DEADHO Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC000980406843 634988784 /nfs/dbraw/zinc/98/87/84/634988784.db2.gz SNOSUZGPBVMMJN-SFHVURJKSA-N 1 3 315.461 2.124 20 0 DEADHO C[C@@H]1C[C@H](C[NH2+]Cc2ccccc2)CN1C(=O)CN1CCCC1 ZINC000980798691 635156340 /nfs/dbraw/zinc/15/63/40/635156340.db2.gz CWGACIUADCCXDO-SJLPKXTDSA-N 1 3 315.461 2.109 20 0 DEADHO CC(C)C[N@@H+]1CCCN(C(=O)C(C)(C)N2CCCCC2)CC1 ZINC000981165475 635346225 /nfs/dbraw/zinc/34/62/25/635346225.db2.gz VDVXTDZOYGQKPG-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)C[N@H+]1CCCN(C(=O)C(C)(C)N2CCCCC2)CC1 ZINC000981165475 635346228 /nfs/dbraw/zinc/34/62/28/635346228.db2.gz VDVXTDZOYGQKPG-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CS(=O)(=O)C1CCC(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000925803248 635419465 /nfs/dbraw/zinc/41/94/65/635419465.db2.gz WJFBUECUKIHQSL-YCUKKYJWSA-N 1 3 322.474 2.324 20 0 DEADHO CCCCN1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000981438181 635483290 /nfs/dbraw/zinc/48/32/90/635483290.db2.gz KXIQHXXTEIGSJE-IRXDYDNUSA-N 1 3 307.482 2.338 20 0 DEADHO CCCCN1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000981438181 635483294 /nfs/dbraw/zinc/48/32/94/635483294.db2.gz KXIQHXXTEIGSJE-IRXDYDNUSA-N 1 3 307.482 2.338 20 0 DEADHO [NH3+]C1CCN(CCN[C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000925817731 635599062 /nfs/dbraw/zinc/59/90/62/635599062.db2.gz WFCOIZUFARHPSL-MRXNPFEDSA-N 1 3 305.470 2.044 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCCN2CCSC[C@H]12 ZINC000925825308 635714447 /nfs/dbraw/zinc/71/44/47/635714447.db2.gz HRUZLOSOWMQCOK-RRQGHBQHSA-N 1 3 320.506 2.079 20 0 DEADHO CCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001016332781 635796882 /nfs/dbraw/zinc/79/68/82/635796882.db2.gz SJASNEVIXLDPLQ-QGZVFWFLSA-N 1 3 303.450 2.352 20 0 DEADHO CCCC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001016332781 635796889 /nfs/dbraw/zinc/79/68/89/635796889.db2.gz SJASNEVIXLDPLQ-QGZVFWFLSA-N 1 3 303.450 2.352 20 0 DEADHO CCS(=O)(=O)c1ccccc1CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000925833917 635832574 /nfs/dbraw/zinc/83/25/74/635832574.db2.gz LMFQQPLFDQBVTC-JKSUJKDBSA-N 1 3 324.490 2.272 20 0 DEADHO CC(C)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC000982083992 635855078 /nfs/dbraw/zinc/85/50/78/635855078.db2.gz FWGZAWJQJWJOIF-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[N@H+]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC000982083992 635855083 /nfs/dbraw/zinc/85/50/83/635855083.db2.gz FWGZAWJQJWJOIF-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@@H]2CCCN(C)C2)C1 ZINC000893769810 636033526 /nfs/dbraw/zinc/03/35/26/636033526.db2.gz AWUNVHNTESWAJX-IAGOWNOFSA-N 1 3 324.513 2.090 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(C)[C@@H]2CCCN(C)C2)C1 ZINC000893769810 636033527 /nfs/dbraw/zinc/03/35/27/636033527.db2.gz AWUNVHNTESWAJX-IAGOWNOFSA-N 1 3 324.513 2.090 20 0 DEADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3ccccn3)C2)[C@@H]1C(C)C ZINC000922394377 636155413 /nfs/dbraw/zinc/15/54/13/636155413.db2.gz VRFAPKRTTXYWTI-BDXSIMOUSA-N 1 3 303.450 2.041 20 0 DEADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3ccccn3)C2)[C@@H]1C(C)C ZINC000922394377 636155416 /nfs/dbraw/zinc/15/54/16/636155416.db2.gz VRFAPKRTTXYWTI-BDXSIMOUSA-N 1 3 303.450 2.041 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1CC[NH+](CC2CCC2)CC1 ZINC001004204335 636222023 /nfs/dbraw/zinc/22/20/23/636222023.db2.gz RLRVLLMZMRUCJO-HUUCEWRRSA-N 1 3 307.482 2.240 20 0 DEADHO CC[NH+](CC)CCOc1ccc(CNCc2cnc[nH]2)cc1 ZINC000894186662 636400538 /nfs/dbraw/zinc/40/05/38/636400538.db2.gz WKSAOGUXKSEODC-UHFFFAOYSA-N 1 3 302.422 2.420 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001004543650 636483974 /nfs/dbraw/zinc/48/39/74/636483974.db2.gz QIGNJDOWANFJEB-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001004543650 636483979 /nfs/dbraw/zinc/48/39/79/636483979.db2.gz QIGNJDOWANFJEB-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001004549207 636484548 /nfs/dbraw/zinc/48/45/48/636484548.db2.gz VETCKMNDVOGYFS-WBVHZDCISA-N 1 3 307.482 2.051 20 0 DEADHO CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001004549207 636484549 /nfs/dbraw/zinc/48/45/49/636484549.db2.gz VETCKMNDVOGYFS-WBVHZDCISA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H](F)CC[NH+]1CCC(N(C)C(=O)CN2CCC[C@H]2C)CC1 ZINC001005998822 637063747 /nfs/dbraw/zinc/06/37/47/637063747.db2.gz WDFZZNUWUQXCIO-HUUCEWRRSA-N 1 3 313.461 2.142 20 0 DEADHO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000923279075 637078628 /nfs/dbraw/zinc/07/86/28/637078628.db2.gz COMFBMLIXSHNCH-BPQIPLTHSA-N 1 3 319.493 2.336 20 0 DEADHO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000923279075 637078631 /nfs/dbraw/zinc/07/86/31/637078631.db2.gz COMFBMLIXSHNCH-BPQIPLTHSA-N 1 3 319.493 2.336 20 0 DEADHO CC(C)[C@](C)(C[NH3+])NC[C@H](O)COc1ccc(Cl)cc1 ZINC000923295975 637097812 /nfs/dbraw/zinc/09/78/12/637097812.db2.gz LTIHLGNYUPWXBP-ZFWWWQNUSA-N 1 3 300.830 2.043 20 0 DEADHO CC(C)[C@@](C)(C[NH3+])NC[C@@H](O)COc1ccc(Cl)cc1 ZINC000923295974 637098000 /nfs/dbraw/zinc/09/80/00/637098000.db2.gz LTIHLGNYUPWXBP-UKRRQHHQSA-N 1 3 300.830 2.043 20 0 DEADHO c1ccc(CN2CCN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)nc1 ZINC000923327471 637119172 /nfs/dbraw/zinc/11/91/72/637119172.db2.gz QDSCYECYUAXSTB-AYHJJNSGSA-N 1 3 314.477 2.120 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)CN2CCCC[C@@H]2CC[NH3+])c1 ZINC000923352254 637134080 /nfs/dbraw/zinc/13/40/80/637134080.db2.gz CKYJRJXRKFZYDV-IAGOWNOFSA-N 1 3 306.450 2.246 20 0 DEADHO Fc1ccccc1CN(CC1CC1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923386866 637155466 /nfs/dbraw/zinc/15/54/66/637155466.db2.gz BNJQJZRVWCZUIL-MRXNPFEDSA-N 1 3 304.409 2.416 20 0 DEADHO CC1(C)[C@H]([NH3+])C[C@H]1NC[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000923421708 637168738 /nfs/dbraw/zinc/16/87/38/637168738.db2.gz NXOUIYNDZMBZCF-IACUBPJLSA-N 1 3 316.367 2.324 20 0 DEADHO COc1ccc(-c2noc([C@H](C)N3CC[C@@H](CC[NH3+])C3)n2)cc1 ZINC000923485228 637205650 /nfs/dbraw/zinc/20/56/50/637205650.db2.gz QYMRBKNYAIVJMQ-QWHCGFSZSA-N 1 3 316.405 2.477 20 0 DEADHO C[C@H]1CCc2ccccc2N1C(=O)CN1CC[C@@H](CC[NH3+])C1 ZINC000923489008 637208412 /nfs/dbraw/zinc/20/84/12/637208412.db2.gz VSHMVRMPVKXXMM-LSDHHAIUSA-N 1 3 301.434 2.025 20 0 DEADHO C[C@@H]1CN(CC(=O)N[C@@H](c2ccccc2)C2CC2)CC[C@H]1C[NH3+] ZINC000923499240 637215749 /nfs/dbraw/zinc/21/57/49/637215749.db2.gz MCBPTNJLJYNCMF-LJHODMEESA-N 1 3 315.461 2.171 20 0 DEADHO C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923499161 637216261 /nfs/dbraw/zinc/21/62/61/637216261.db2.gz KRZATLNWQZHCIG-IPYPFGDCSA-N 1 3 323.868 2.261 20 0 DEADHO CC[C@H](C)NC(=O)[C@H](C)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923504308 637220201 /nfs/dbraw/zinc/22/02/01/637220201.db2.gz XAHUIBLLEQUYKF-HRCADAONSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)CCN1C ZINC000928442241 637242779 /nfs/dbraw/zinc/24/27/79/637242779.db2.gz ADVHHXLXWQGJNW-PBHICJAKSA-N 1 3 301.434 2.105 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN2CCN(C)C[C@H]2CC(C)C)cc1 ZINC000923554693 637243746 /nfs/dbraw/zinc/24/37/46/637243746.db2.gz OLCRZHZNYPWXFL-QZTJIDSGSA-N 1 3 319.493 2.400 20 0 DEADHO C[C@@H]([NH2+]CC1CCC1)C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001029144015 637275016 /nfs/dbraw/zinc/27/50/16/637275016.db2.gz AMUDGWMPEKEJTJ-JKSUJKDBSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000237153633 637292279 /nfs/dbraw/zinc/29/22/79/637292279.db2.gz UWQUUCRAKBBCME-IAGOWNOFSA-N 1 3 303.450 2.094 20 0 DEADHO O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001029356484 637648576 /nfs/dbraw/zinc/64/85/76/637648576.db2.gz ODSLSFRIQFNJOL-FJIDUMEYSA-N 1 3 317.477 2.089 20 0 DEADHO O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001029356484 637648579 /nfs/dbraw/zinc/64/85/79/637648579.db2.gz ODSLSFRIQFNJOL-FJIDUMEYSA-N 1 3 317.477 2.089 20 0 DEADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(OC[C@@H]4CCCO4)cc3)C[C@H]12 ZINC000262187311 637830117 /nfs/dbraw/zinc/83/01/17/637830117.db2.gz XSOMNULXELTLAM-XGXHKWSGSA-N 1 3 316.445 2.414 20 0 DEADHO CCCc1cc(C(=O)N2CC3CCC(C2)[NH+]3CCC2CC2)[nH]n1 ZINC001029416599 637869117 /nfs/dbraw/zinc/86/91/17/637869117.db2.gz XXUCTKPJSRSMPM-IYBDPMFKSA-N 1 3 316.449 2.451 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]CC[C@@H](C)N(C)C)C1 ZINC000895294385 637894448 /nfs/dbraw/zinc/89/44/48/637894448.db2.gz PNUCZRUGHHDGLN-JHJVBQTASA-N 1 3 306.397 2.283 20 0 DEADHO C[C@@H]1C[C@H](CN2CCOC[C@H]2C[C@@H](O)c2ccccc2)CC[NH2+]1 ZINC000841009694 650405348 /nfs/dbraw/zinc/40/53/48/650405348.db2.gz GXWCBAWIOZUSII-PSBWJHGTSA-N 1 3 318.461 2.199 20 0 DEADHO CC[NH2+][C@H](C)CN[C@@H]1CCC[C@@H](C(F)(F)C(=O)OCC)C1 ZINC000841063199 650418767 /nfs/dbraw/zinc/41/87/67/650418767.db2.gz FQUCKVBMTOKXOG-JHJVBQTASA-N 1 3 306.397 2.331 20 0 DEADHO CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]CCCNC2CC2)C1 ZINC000841091463 650428611 /nfs/dbraw/zinc/42/86/11/650428611.db2.gz YHPRRINTWLFAKA-JSGCOSHPSA-N 1 3 318.408 2.475 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001029595716 639330220 /nfs/dbraw/zinc/33/02/20/639330220.db2.gz NRHFSITZLVMOEL-UOVPBQLFSA-N 1 3 319.493 2.335 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001029595716 639330226 /nfs/dbraw/zinc/33/02/26/639330226.db2.gz NRHFSITZLVMOEL-UOVPBQLFSA-N 1 3 319.493 2.335 20 0 DEADHO CC[C@@H](C(=O)N1CCC([N@H+](C)CC2CC(C)C2)CC1)N(C)C ZINC000985654478 639565644 /nfs/dbraw/zinc/56/56/44/639565644.db2.gz ABJTUNMYQZPIIO-DQPZFDDXSA-N 1 3 309.498 2.296 20 0 DEADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)CC2CC(C)C2)CC1)N(C)C ZINC000985654478 639565655 /nfs/dbraw/zinc/56/56/55/639565655.db2.gz ABJTUNMYQZPIIO-DQPZFDDXSA-N 1 3 309.498 2.296 20 0 DEADHO C[N@@H+](CC1=CCCCC1)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029852750 639572112 /nfs/dbraw/zinc/57/21/12/639572112.db2.gz HYUIWSRBQLRFIJ-MRXNPFEDSA-N 1 3 316.449 2.233 20 0 DEADHO C[N@H+](CC1=CCCCC1)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029852750 639572118 /nfs/dbraw/zinc/57/21/18/639572118.db2.gz HYUIWSRBQLRFIJ-MRXNPFEDSA-N 1 3 316.449 2.233 20 0 DEADHO C[N@H+](CC1CC(C)(C)C1)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029903727 639753837 /nfs/dbraw/zinc/75/38/37/639753837.db2.gz FGWOHNVKTSLJNH-MRXNPFEDSA-N 1 3 321.509 2.299 20 0 DEADHO C[N@@H+](CC1CC(C)(C)C1)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029903727 639753843 /nfs/dbraw/zinc/75/38/43/639753843.db2.gz FGWOHNVKTSLJNH-MRXNPFEDSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@H]1[C@@H]([NH2+]CC2CCC2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986936108 640015981 /nfs/dbraw/zinc/01/59/81/640015981.db2.gz GCTNGNZWXMESNQ-HOCLYGCPSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC(C[N@H+](C)CC2CC2)CC1 ZINC001029995651 640022806 /nfs/dbraw/zinc/02/28/06/640022806.db2.gz UDZIEGJKCVKNCH-HNNXBMFYSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC(C[N@@H+](C)CC2CC2)CC1 ZINC001029995651 640022813 /nfs/dbraw/zinc/02/28/13/640022813.db2.gz UDZIEGJKCVKNCH-HNNXBMFYSA-N 1 3 307.482 2.051 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC000987527772 640210539 /nfs/dbraw/zinc/21/05/39/640210539.db2.gz WTINGQLEOJDYKY-FUHWJXTLSA-N 1 3 315.461 2.170 20 0 DEADHO C[C@H]1[C@H]([NH2+]Cc2cccc(F)c2)CCN1C(=O)CN1CCCC1 ZINC000987520148 640211430 /nfs/dbraw/zinc/21/14/30/640211430.db2.gz BKBAWCGRZAWJFE-WMLDXEAASA-N 1 3 319.424 2.001 20 0 DEADHO CCC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC000987568416 640225008 /nfs/dbraw/zinc/22/50/08/640225008.db2.gz RFBAMFRMZYJGQZ-YOEHRIQHSA-N 1 3 303.450 2.351 20 0 DEADHO CCC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC000987568415 640225107 /nfs/dbraw/zinc/22/51/07/640225107.db2.gz RFBAMFRMZYJGQZ-WMLDXEAASA-N 1 3 303.450 2.351 20 0 DEADHO COc1ccc(C[C@@H](C)CN(C)C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000761739632 640342112 /nfs/dbraw/zinc/34/21/12/640342112.db2.gz DLRYKPFKTOPTSA-AEFFLSMTSA-N 1 3 320.477 2.262 20 0 DEADHO COC(=O)C[C@@H](Cc1ccccc1)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000898297056 641091743 /nfs/dbraw/zinc/09/17/43/641091743.db2.gz IQBHYKGFWWQLJW-HYVNUMGLSA-N 1 3 304.434 2.233 20 0 DEADHO COC(=O)C[C@@H](Cc1ccccc1)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000898297056 641091744 /nfs/dbraw/zinc/09/17/44/641091744.db2.gz IQBHYKGFWWQLJW-HYVNUMGLSA-N 1 3 304.434 2.233 20 0 DEADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCCN(CC3=CCCCC3)CC2)C1 ZINC000989474820 641117154 /nfs/dbraw/zinc/11/71/54/641117154.db2.gz LTYJYJJTRHSTBA-SFHVURJKSA-N 1 3 319.493 2.363 20 0 DEADHO C[N@H+]1CC[C@@H](CC(=O)N2CCCN(CC3=CCCCC3)CC2)C1 ZINC000989474820 641117155 /nfs/dbraw/zinc/11/71/55/641117155.db2.gz LTYJYJJTRHSTBA-SFHVURJKSA-N 1 3 319.493 2.363 20 0 DEADHO CC(C)=CCN1CCCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000989735260 641211580 /nfs/dbraw/zinc/21/15/80/641211580.db2.gz WJBYISCESYJOQS-UHFFFAOYSA-N 1 3 307.482 2.363 20 0 DEADHO CCC1([NH+]2CCC2)CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000899560368 642106901 /nfs/dbraw/zinc/10/69/01/642106901.db2.gz MRMRNWFYPBINTR-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900524467 642389919 /nfs/dbraw/zinc/38/99/19/642389919.db2.gz ZOBHSODSWQHCFR-MRXNPFEDSA-N 1 3 314.433 2.457 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900986229 642537827 /nfs/dbraw/zinc/53/78/27/642537827.db2.gz ZPLJQKGOEUEVET-WCXIOVBPSA-N 1 3 305.466 2.089 20 0 DEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900986229 642537829 /nfs/dbraw/zinc/53/78/29/642537829.db2.gz ZPLJQKGOEUEVET-WCXIOVBPSA-N 1 3 305.466 2.089 20 0 DEADHO Cc1cc(N2CCC[C@@H](N[C@H]3CC[NH2+]CC(C)(C)C3)C2)n(C)n1 ZINC000902377164 643015391 /nfs/dbraw/zinc/01/53/91/643015391.db2.gz RQGUNXDLZPECHW-JKSUJKDBSA-N 1 3 319.497 2.065 20 0 DEADHO CC1(C)C[NH2+]CC[C@H](NC[C@@H]2CCCN2CC(F)(F)F)C1 ZINC000902404062 643030681 /nfs/dbraw/zinc/03/06/81/643030681.db2.gz ITFAZQCEWDOHKL-STQMWFEESA-N 1 3 307.404 2.381 20 0 DEADHO C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H]1CC2(CO1)CCOCC2 ZINC000903212030 643289915 /nfs/dbraw/zinc/28/99/15/643289915.db2.gz IPFXFFBXPQHWKP-ONQFOCNCSA-N 1 3 320.477 2.320 20 0 DEADHO C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H]1CC2(CO1)CCOCC2 ZINC000903212030 643289919 /nfs/dbraw/zinc/28/99/19/643289919.db2.gz IPFXFFBXPQHWKP-ONQFOCNCSA-N 1 3 320.477 2.320 20 0 DEADHO C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H]1CC2(CO1)CCOCC2 ZINC000903212028 643290111 /nfs/dbraw/zinc/29/01/11/643290111.db2.gz IPFXFFBXPQHWKP-NXCDMZCRSA-N 1 3 320.477 2.320 20 0 DEADHO C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H]1CC2(CO1)CCOCC2 ZINC000903212028 643290115 /nfs/dbraw/zinc/29/01/15/643290115.db2.gz IPFXFFBXPQHWKP-NXCDMZCRSA-N 1 3 320.477 2.320 20 0 DEADHO Cc1nc(C)c(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)s1 ZINC000903508547 643373487 /nfs/dbraw/zinc/37/34/87/643373487.db2.gz LANHGVQWOMULPT-IYBDPMFKSA-N 1 3 320.506 2.161 20 0 DEADHO CN(CCOc1ccccc1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717610 643437815 /nfs/dbraw/zinc/43/78/15/643437815.db2.gz BPXBMQUXZUDWPE-KRWDZBQOSA-N 1 3 304.434 2.156 20 0 DEADHO NCc1cn([C@@H]2CCC[N@H+](Cc3ccccc3CF)C2)nn1 ZINC000903759593 643451856 /nfs/dbraw/zinc/45/18/56/643451856.db2.gz AXEIVBKQJBTRRT-MRXNPFEDSA-N 1 3 303.385 2.043 20 0 DEADHO NCc1cn([C@@H]2CCC[N@@H+](Cc3ccccc3CF)C2)nn1 ZINC000903759593 643451858 /nfs/dbraw/zinc/45/18/58/643451858.db2.gz AXEIVBKQJBTRRT-MRXNPFEDSA-N 1 3 303.385 2.043 20 0 DEADHO COC(=O)c1ccc(CN2C[C@@H](C[NH3+])[C@H](C)C2)c2ncccc12 ZINC000903776165 643459263 /nfs/dbraw/zinc/45/92/63/643459263.db2.gz QHZJXESEXWHLDP-TZMCWYRMSA-N 1 3 313.401 2.048 20 0 DEADHO C(CC1CC[NH2+]CC1)CN1CCOC[C@@H]1CC1CCOCC1 ZINC000903850401 643483746 /nfs/dbraw/zinc/48/37/46/643483746.db2.gz PTHGAOJDIYEOCJ-SFHVURJKSA-N 1 3 310.482 2.284 20 0 DEADHO COc1ccc([C@H](CN)C[N@@H+]2C[C@@H]3CSC[C@]3(C)C2)cc1 ZINC000903870022 643491217 /nfs/dbraw/zinc/49/12/17/643491217.db2.gz CHKJDPFPLVLBJR-INMHGKMJSA-N 1 3 306.475 2.422 20 0 DEADHO COc1ccc([C@H](CN)C[N@H+]2C[C@@H]3CSC[C@]3(C)C2)cc1 ZINC000903870022 643491219 /nfs/dbraw/zinc/49/12/19/643491219.db2.gz CHKJDPFPLVLBJR-INMHGKMJSA-N 1 3 306.475 2.422 20 0 DEADHO CCN1CCN(c2cccc(NC[C@H]([NH3+])CC(F)F)c2)CC1 ZINC000903927902 643512031 /nfs/dbraw/zinc/51/20/31/643512031.db2.gz VCFJMGZXHCZGPS-CYBMUJFWSA-N 1 3 312.408 2.223 20 0 DEADHO c1ncn(-c2ccc(CN3CCCC[C@@]4(CC[NH2+]C4)C3)cc2)n1 ZINC000903959433 643519829 /nfs/dbraw/zinc/51/98/29/643519829.db2.gz HYFHJUYPQLBMAI-SFHVURJKSA-N 1 3 311.433 2.233 20 0 DEADHO Cc1nc([C@H]2CCN(Cc3cc4c(s3)CC[NH2+]C4)C2)no1 ZINC000903978667 643533607 /nfs/dbraw/zinc/53/36/07/643533607.db2.gz JUSKHGCPXRCVCV-NSHDSACASA-N 1 3 304.419 2.075 20 0 DEADHO C[NH+]1CCC(CN2CCN(c3ccc(Cl)cn3)CC2)CC1 ZINC000788475181 643613954 /nfs/dbraw/zinc/61/39/54/643613954.db2.gz DHRYFBWLNRIICW-UHFFFAOYSA-N 1 3 308.857 2.199 20 0 DEADHO CC[C@@](CNC[C@]1(C)CCC[NH2+]C1)(C(=O)OC)c1ccccc1 ZINC000904373247 643648749 /nfs/dbraw/zinc/64/87/49/643648749.db2.gz NJZIHQNYZFASRR-MOPGFXCFSA-N 1 3 318.461 2.487 20 0 DEADHO C[C@@H]1C[C@H](CN(C)CC(=O)NCCC2=CCCCC2)CC[NH2+]1 ZINC000904442753 643673014 /nfs/dbraw/zinc/67/30/14/643673014.db2.gz GUSYALWGEWKTAI-NVXWUHKLSA-N 1 3 307.482 2.313 20 0 DEADHO O[C@@H](CCOCc1ccccc1)CN[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000905044956 643769362 /nfs/dbraw/zinc/76/93/62/643769362.db2.gz GOEFWKBISAFSMN-OTWHNJEPSA-N 1 3 318.461 2.171 20 0 DEADHO O[C@@H](CCOCc1ccccc1)CN[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000905044956 643769367 /nfs/dbraw/zinc/76/93/67/643769367.db2.gz GOEFWKBISAFSMN-OTWHNJEPSA-N 1 3 318.461 2.171 20 0 DEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)CC[C@@H](O)c2ccccc2)C1 ZINC000905157391 643801223 /nfs/dbraw/zinc/80/12/23/643801223.db2.gz ZUPHAOQQYQOQHK-WJFTUGDTSA-N 1 3 320.477 2.324 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)NCc2ccccc2CN(C)C)C1 ZINC000905335813 643879650 /nfs/dbraw/zinc/87/96/50/643879650.db2.gz RUSCBOGDZJXNCE-SFHVURJKSA-N 1 3 317.477 2.486 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)NCc2ccccc2CN(C)C)C1 ZINC000905335813 643879655 /nfs/dbraw/zinc/87/96/55/643879655.db2.gz RUSCBOGDZJXNCE-SFHVURJKSA-N 1 3 317.477 2.486 20 0 DEADHO c1cn(-c2ccc(CN3CCC([C@H]4CC[NH2+]C4)CC3)cn2)cn1 ZINC000843127103 650902128 /nfs/dbraw/zinc/90/21/28/650902128.db2.gz OLVNRNVRZOCKPN-KRWDZBQOSA-N 1 3 311.433 2.089 20 0 DEADHO C[NH+]1CCC(N2CCC(NC(=O)C3(C4CC4)CCC3)CC2)CC1 ZINC000906464413 644257854 /nfs/dbraw/zinc/25/78/54/644257854.db2.gz BUGHJINZSVQDHP-UHFFFAOYSA-N 1 3 319.493 2.242 20 0 DEADHO NC1CC([NH2+]CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000906510540 644267536 /nfs/dbraw/zinc/26/75/36/644267536.db2.gz LJSUDAFBZRUTNN-UHFFFAOYSA-N 1 3 317.433 2.115 20 0 DEADHO [NH3+]C1CC(NCC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000906510540 644267542 /nfs/dbraw/zinc/26/75/42/644267542.db2.gz LJSUDAFBZRUTNN-UHFFFAOYSA-N 1 3 317.433 2.115 20 0 DEADHO C[NH+](C)CC1CCC(NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC000907101736 644438651 /nfs/dbraw/zinc/43/86/51/644438651.db2.gz SRMZDKTUTBUZNF-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO C[N@@H+]1CC[C@@]2(CCN(C[C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000795322747 644553970 /nfs/dbraw/zinc/55/39/70/644553970.db2.gz YJWXIGFQKWSJGV-CRAIPNDOSA-N 1 3 323.481 2.271 20 0 DEADHO C[N@H+]1CC[C@@]2(CCN(C[C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000795322747 644553975 /nfs/dbraw/zinc/55/39/75/644553975.db2.gz YJWXIGFQKWSJGV-CRAIPNDOSA-N 1 3 323.481 2.271 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C)C3(CCCCC3)C2)CC[N@@H+]1C ZINC000908575665 644915452 /nfs/dbraw/zinc/91/54/52/644915452.db2.gz SBAVGKRDJVYHID-JKSUJKDBSA-N 1 3 307.482 2.194 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C)C3(CCCCC3)C2)CC[N@H+]1C ZINC000908575665 644915455 /nfs/dbraw/zinc/91/54/55/644915455.db2.gz SBAVGKRDJVYHID-JKSUJKDBSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@H]2CCCCN2C)C1 ZINC000912002822 645905877 /nfs/dbraw/zinc/90/58/77/645905877.db2.gz UNSPKNNAPQCCOP-DLBZAZTESA-N 1 3 324.513 2.282 20 0 DEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H]2CCCCN2C)C1 ZINC000912002822 645905883 /nfs/dbraw/zinc/90/58/83/645905883.db2.gz UNSPKNNAPQCCOP-DLBZAZTESA-N 1 3 324.513 2.282 20 0 DEADHO C[NH+](C)CC1(C(=O)N[C@]2(C)CN3CCC2CC3)CCCCC1 ZINC000912376894 646049417 /nfs/dbraw/zinc/04/94/17/646049417.db2.gz LELCHFHFMYRSJZ-QGZVFWFLSA-N 1 3 307.482 2.099 20 0 DEADHO CN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C(N)=O)cc1 ZINC000809733644 646270712 /nfs/dbraw/zinc/27/07/12/646270712.db2.gz CEJHYECAWFAWDC-UHFFFAOYSA-N 1 3 311.429 2.479 20 0 DEADHO CC(C)[NH+](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC000809942810 646301481 /nfs/dbraw/zinc/30/14/81/646301481.db2.gz YDEMYHUKFISHQT-QGZVFWFLSA-N 1 3 315.477 2.434 20 0 DEADHO C[C@@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)N1CCCCC1 ZINC000810182049 646336173 /nfs/dbraw/zinc/33/61/73/646336173.db2.gz KJVPKBSAVFDOJR-YOEHRIQHSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)N1CCCCC1 ZINC000810182049 646336177 /nfs/dbraw/zinc/33/61/77/646336177.db2.gz KJVPKBSAVFDOJR-YOEHRIQHSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)CN(CC[NH+](C)C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810612058 646386164 /nfs/dbraw/zinc/38/61/64/646386164.db2.gz NNAUVTXOBIKXRL-KRWDZBQOSA-N 1 3 315.477 2.245 20 0 DEADHO CN1CC[C@@]2(CC[N@H+](C[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)C1 ZINC000814178626 646857555 /nfs/dbraw/zinc/85/75/55/646857555.db2.gz XPPGEBUYEUYWSC-MAUKXSAKSA-N 1 3 323.481 2.414 20 0 DEADHO CN1CC[C@@]2(CC[N@@H+](C[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)C1 ZINC000814178626 646857558 /nfs/dbraw/zinc/85/75/58/646857558.db2.gz XPPGEBUYEUYWSC-MAUKXSAKSA-N 1 3 323.481 2.414 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NCC2([NH+](C)C)CCCCCC2)CCN1C ZINC000913914583 647096571 /nfs/dbraw/zinc/09/65/71/647096571.db2.gz QRWGOSRGJYSBPU-HUUCEWRRSA-N 1 3 310.486 2.033 20 0 DEADHO CN(CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CC3)[C@H]2C1)C1CCC1 ZINC000992716798 647194910 /nfs/dbraw/zinc/19/49/10/647194910.db2.gz UHFYSYXWKHNLCE-RYQLBKOJSA-N 1 3 319.493 2.097 20 0 DEADHO CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]21 ZINC000992725306 647196779 /nfs/dbraw/zinc/19/67/79/647196779.db2.gz ZRWQXBBOMHQUPV-HRCADAONSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000817898661 647376335 /nfs/dbraw/zinc/37/63/35/647376335.db2.gz IXJXVVSLWSEXSX-DIFFPNOSSA-N 1 3 303.381 2.372 20 0 DEADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NC[C@H]1CCC[NH2+]C1 ZINC000817945508 647390478 /nfs/dbraw/zinc/39/04/78/647390478.db2.gz FFNIANHOVDBIMQ-RYUDHWBXSA-N 1 3 310.829 2.041 20 0 DEADHO COc1ccc([C@H](C)NCC[C@H](C)[NH3+])cc1Cn1cccn1 ZINC000817953850 647392817 /nfs/dbraw/zinc/39/28/17/647392817.db2.gz VGRSTPSSRUQQEF-KBPBESRZSA-N 1 3 302.422 2.328 20 0 DEADHO COCC[N@H+](C)CCCNC[C@@H](O)c1ccc(F)cc1Cl ZINC000818954720 647548557 /nfs/dbraw/zinc/54/85/57/647548557.db2.gz UZXRCUFHLYDCFD-OAHLLOKOSA-N 1 3 318.820 2.070 20 0 DEADHO COCC[N@@H+](C)CCCNC[C@@H](O)c1ccc(F)cc1Cl ZINC000818954720 647548560 /nfs/dbraw/zinc/54/85/60/647548560.db2.gz UZXRCUFHLYDCFD-OAHLLOKOSA-N 1 3 318.820 2.070 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H](NC(=O)C23CCCN2CCC3)[C@H]1C ZINC000993526860 647689952 /nfs/dbraw/zinc/68/99/52/647689952.db2.gz IBSOUFOZQUYDEI-HZPDHXFCSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H](NC(=O)C23CCCN2CCC3)[C@H]1C ZINC000993526860 647689953 /nfs/dbraw/zinc/68/99/53/647689953.db2.gz IBSOUFOZQUYDEI-HZPDHXFCSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000826752393 648921173 /nfs/dbraw/zinc/92/11/73/648921173.db2.gz ZZSUNXPQAZUZOY-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000826752393 648921176 /nfs/dbraw/zinc/92/11/76/648921176.db2.gz ZZSUNXPQAZUZOY-IAGOWNOFSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC2)CC1(C)C ZINC000940736134 648934889 /nfs/dbraw/zinc/93/48/89/648934889.db2.gz ADEJKLGHAFKTEL-IAGOWNOFSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC1(C)C ZINC000940736134 648934891 /nfs/dbraw/zinc/93/48/91/648934891.db2.gz ADEJKLGHAFKTEL-IAGOWNOFSA-N 1 3 321.509 2.486 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C(C)C)CC1(C)C ZINC000940785011 648940824 /nfs/dbraw/zinc/94/08/24/648940824.db2.gz FSPBQIXVAJCDCB-CVEARBPZSA-N 1 3 309.498 2.486 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](C(C)C)CC1(C)C ZINC000940785011 648940826 /nfs/dbraw/zinc/94/08/26/648940826.db2.gz FSPBQIXVAJCDCB-CVEARBPZSA-N 1 3 309.498 2.486 20 0 DEADHO CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)C(C)(C)C1 ZINC000941076255 648994409 /nfs/dbraw/zinc/99/44/09/648994409.db2.gz UNTUHMWFDJSVLG-JKSUJKDBSA-N 1 3 309.498 2.486 20 0 DEADHO CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)C(C)(C)C1 ZINC000941076255 648994414 /nfs/dbraw/zinc/99/44/14/648994414.db2.gz UNTUHMWFDJSVLG-JKSUJKDBSA-N 1 3 309.498 2.486 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CC(C)C)CC1(C)C ZINC000941186501 649018983 /nfs/dbraw/zinc/01/89/83/649018983.db2.gz KVPSMMKTNIRALG-HNNXBMFYSA-N 1 3 306.454 2.133 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CC(C)C)CC1(C)C ZINC000941186501 649018985 /nfs/dbraw/zinc/01/89/85/649018985.db2.gz KVPSMMKTNIRALG-HNNXBMFYSA-N 1 3 306.454 2.133 20 0 DEADHO CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000995228154 649201869 /nfs/dbraw/zinc/20/18/69/649201869.db2.gz HKRUYFOOSYWCQB-GDBMZVCRSA-N 1 3 303.450 2.256 20 0 DEADHO C[C@@H]1C[N@H+](CC2CCC2)CC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942558514 649244327 /nfs/dbraw/zinc/24/43/27/649244327.db2.gz XRIYWWKNIWTMEW-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1C[N@@H+](CC2CCC2)CC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942558514 649244328 /nfs/dbraw/zinc/24/43/28/649244328.db2.gz XRIYWWKNIWTMEW-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO C[C@H]1C[N@H+](CCCF)CC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942556072 649245738 /nfs/dbraw/zinc/24/57/38/649245738.db2.gz UWNJLMDEUTUKIT-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H]1C[N@@H+](CCCF)CC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942556072 649245741 /nfs/dbraw/zinc/24/57/41/649245741.db2.gz UWNJLMDEUTUKIT-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H](NC(=O)NCCCCCC[NH3+])[C@@H](c1ccccc1)N(C)C ZINC000831161116 649546221 /nfs/dbraw/zinc/54/62/21/649546221.db2.gz PVQSVDGMQHUANH-RDJZCZTQSA-N 1 3 320.481 2.496 20 0 DEADHO CN(CC(=O)NC1CCC(C)([NH+]2CCC2)CC1)CC(C)(C)C ZINC000834772266 649842156 /nfs/dbraw/zinc/84/21/56/649842156.db2.gz PPNKZWNQLCZYNR-UHFFFAOYSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000834795425 649846876 /nfs/dbraw/zinc/84/68/76/649846876.db2.gz JHXGRLBBDMZHKO-UPTPFMHGSA-N 1 3 307.482 2.384 20 0 DEADHO COc1ccccc1[C@H](N)CNC(=O)CCCC[NH+]1CCCC1 ZINC000844163049 651085047 /nfs/dbraw/zinc/08/50/47/651085047.db2.gz UHWDAJSOTYKDKY-MRXNPFEDSA-N 1 3 319.449 2.077 20 0 DEADHO CCCCCCN(C)CC(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000844198227 651090528 /nfs/dbraw/zinc/09/05/28/651090528.db2.gz GHAXSGIEGSNKHK-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO CC[C@@H]1CN(C)CCCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000846988978 651367393 /nfs/dbraw/zinc/36/73/93/651367393.db2.gz OGEIXISSALUWRS-PBHICJAKSA-N 1 3 313.461 2.142 20 0 DEADHO CC[C@@H]1CN(C)CCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000846988978 651367394 /nfs/dbraw/zinc/36/73/94/651367394.db2.gz OGEIXISSALUWRS-PBHICJAKSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCCCCCCC[NH+]2CCCC2)C1 ZINC000847383193 651393088 /nfs/dbraw/zinc/39/30/88/651393088.db2.gz CXLPZAKCXKUTMM-QGZVFWFLSA-N 1 3 309.498 2.491 20 0 DEADHO C[C@@H](O)c1ccc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000848527244 651467425 /nfs/dbraw/zinc/46/74/25/651467425.db2.gz WGEWXWJAFKQYQS-BEFAXECRSA-N 1 3 318.461 2.473 20 0 DEADHO COC(=O)N(C)CCN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000850389764 651918247 /nfs/dbraw/zinc/91/82/47/651918247.db2.gz FTHHNOQPCAXMRP-RDJZCZTQSA-N 1 3 319.449 2.327 20 0 DEADHO COC(=O)N(C)CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000850389764 651918250 /nfs/dbraw/zinc/91/82/50/651918250.db2.gz FTHHNOQPCAXMRP-RDJZCZTQSA-N 1 3 319.449 2.327 20 0 DEADHO CC[C@@H](O)C[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856600580 651955983 /nfs/dbraw/zinc/95/59/83/651955983.db2.gz VEJVIGPKBYLXEO-AEFFLSMTSA-N 1 3 321.465 2.146 20 0 DEADHO CC[C@@H](O)C[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856600580 651955986 /nfs/dbraw/zinc/95/59/86/651955986.db2.gz VEJVIGPKBYLXEO-AEFFLSMTSA-N 1 3 321.465 2.146 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]Cc2cn(C)nc2Cl)C[C@H](C)O1 ZINC000856770625 651978788 /nfs/dbraw/zinc/97/87/88/651978788.db2.gz WXHNZLVCVMUNTP-BETUJISGSA-N 1 3 314.861 2.053 20 0 DEADHO Cn1nccc1[C@H](O)C1CC[NH+](CC[C@@H]2CCCCN2C)CC1 ZINC000856799961 651988147 /nfs/dbraw/zinc/98/81/47/651988147.db2.gz AHPAFHPZOBLYRN-FUHWJXTLSA-N 1 3 320.481 2.040 20 0 DEADHO Cn1nccc1[C@@H](O)C1CC[NH+](CC[C@H]2CCCCN2C)CC1 ZINC000856799959 651988274 /nfs/dbraw/zinc/98/82/74/651988274.db2.gz AHPAFHPZOBLYRN-AEFFLSMTSA-N 1 3 320.481 2.040 20 0 DEADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000851834288 652253858 /nfs/dbraw/zinc/25/38/58/652253858.db2.gz PVFKJJIVXRDTBB-FHWLQOOXSA-N 1 3 320.477 2.276 20 0 DEADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000851834288 652253859 /nfs/dbraw/zinc/25/38/59/652253859.db2.gz PVFKJJIVXRDTBB-FHWLQOOXSA-N 1 3 320.477 2.276 20 0 DEADHO CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001390135280 1155540241 /nfs/dbraw/zinc/54/02/41/1155540241.db2.gz REUYEYPJVZSCQC-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001390135280 1155540245 /nfs/dbraw/zinc/54/02/45/1155540245.db2.gz REUYEYPJVZSCQC-DLBZAZTESA-N 1 3 309.498 2.488 20 0 DEADHO COc1ccc(CN(C)C)cc1NC(=O)C=C1CC[NH2+]CC1 ZINC000852860173 652471747 /nfs/dbraw/zinc/47/17/47/652471747.db2.gz MDSLVKBVLKDEEP-UHFFFAOYSA-N 1 3 303.406 2.005 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)CC(C)C)C[C@H]21)N(C)C ZINC001371037381 1155666713 /nfs/dbraw/zinc/66/67/13/1155666713.db2.gz SPHDOHFNZVCJOD-UUAJXVIYSA-N 1 3 309.498 2.055 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)CC(C)C)C[C@H]21)N(C)C ZINC001371037381 1155666717 /nfs/dbraw/zinc/66/67/17/1155666717.db2.gz SPHDOHFNZVCJOD-UUAJXVIYSA-N 1 3 309.498 2.055 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)NC/C=C/Cl ZINC001371199931 1155779961 /nfs/dbraw/zinc/77/99/61/1155779961.db2.gz JKLRZEQOSYKFGH-IVZDOJFNSA-N 1 3 313.873 2.240 20 0 DEADHO C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)NC/C=C/Cl ZINC001371199931 1155779964 /nfs/dbraw/zinc/77/99/64/1155779964.db2.gz JKLRZEQOSYKFGH-IVZDOJFNSA-N 1 3 313.873 2.240 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001391117798 1156135622 /nfs/dbraw/zinc/13/56/22/1156135622.db2.gz NEFNJISZBAVBOZ-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001391117798 1156135630 /nfs/dbraw/zinc/13/56/30/1156135630.db2.gz NEFNJISZBAVBOZ-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccccc1C)N(C)C ZINC001392105470 1156868587 /nfs/dbraw/zinc/86/85/87/1156868587.db2.gz ZEYAHRSVNXNTIZ-WBVHZDCISA-N 1 3 305.466 2.272 20 0 DEADHO CC(C)[NH2+]CC[C@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001392177526 1156882835 /nfs/dbraw/zinc/88/28/35/1156882835.db2.gz ICUYAAYXQITTDK-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CCC(CC)C[NH2+]CC1CC(NC(=O)Cc2nc[nH]c2C)C1 ZINC001393905119 1158057732 /nfs/dbraw/zinc/05/77/32/1158057732.db2.gz AKBTZASNPYXCGG-UHFFFAOYSA-N 1 3 306.454 2.181 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1C)N(C)C ZINC001375134446 1158342780 /nfs/dbraw/zinc/34/27/80/1158342780.db2.gz HHMLVHIQBCVLTH-NVXWUHKLSA-N 1 3 305.466 2.272 20 0 DEADHO CC[C@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1C)N(C)C ZINC001375134446 1158342791 /nfs/dbraw/zinc/34/27/91/1158342791.db2.gz HHMLVHIQBCVLTH-NVXWUHKLSA-N 1 3 305.466 2.272 20 0 DEADHO Cc1cccc(C[N@H+](C)C[C@@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001375162064 1158363169 /nfs/dbraw/zinc/36/31/69/1158363169.db2.gz XKPARYMOXVQISF-MRXNPFEDSA-N 1 3 305.466 2.272 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CC[NH2+]C(C)(C)C ZINC000389987740 685437127 /nfs/dbraw/zinc/43/71/27/685437127.db2.gz MXPUYTJAUBGNPE-DOTOQJQBSA-N 1 3 317.477 2.401 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)c2ccc(NC3=NCCC3)cc2)CC[N@@H+]1C ZINC000928428344 693776762 /nfs/dbraw/zinc/77/67/62/693776762.db2.gz MNCCJNQVCJNDQZ-DOMZBBRYSA-N 1 3 300.406 2.113 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)c2ccc(NC3=NCCC3)cc2)CC[N@H+]1C ZINC000928428344 693776764 /nfs/dbraw/zinc/77/67/64/693776764.db2.gz MNCCJNQVCJNDQZ-DOMZBBRYSA-N 1 3 300.406 2.113 20 0 DEADHO C[C@@H](NC1(CNC(=O)CC[NH+](C)C)CC1)c1cccc(F)c1 ZINC001375465061 1158720186 /nfs/dbraw/zinc/72/01/86/1158720186.db2.gz KJRNNFKNUJVPPF-CYBMUJFWSA-N 1 3 307.413 2.077 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@]3(CC[N@H+](CC4CC4)C3)C2)CCC1 ZINC001054142519 693860981 /nfs/dbraw/zinc/86/09/81/693860981.db2.gz FBOUPQNIXRFUFV-GOSISDBHSA-N 1 3 319.493 2.195 20 0 DEADHO CN(C)C1(C(=O)N2CCC[C@]3(CC[N@@H+](CC4CC4)C3)C2)CCC1 ZINC001054142519 693860983 /nfs/dbraw/zinc/86/09/83/693860983.db2.gz FBOUPQNIXRFUFV-GOSISDBHSA-N 1 3 319.493 2.195 20 0 DEADHO CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001054197454 693878503 /nfs/dbraw/zinc/87/85/03/693878503.db2.gz BWJNUYAQZUONET-AEFFLSMTSA-N 1 3 307.482 2.195 20 0 DEADHO CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001054197454 693878509 /nfs/dbraw/zinc/87/85/09/693878509.db2.gz BWJNUYAQZUONET-AEFFLSMTSA-N 1 3 307.482 2.195 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001054197977 693879918 /nfs/dbraw/zinc/87/99/18/693879918.db2.gz MOPLWJDQFXSTQZ-QFBILLFUSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001054197977 693879919 /nfs/dbraw/zinc/87/99/19/693879919.db2.gz MOPLWJDQFXSTQZ-QFBILLFUSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@H](F)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205352 693882740 /nfs/dbraw/zinc/88/27/40/693882740.db2.gz PPEBSWRESNLJQG-WMLDXEAASA-N 1 3 322.428 2.015 20 0 DEADHO C[C@H](F)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205352 693882743 /nfs/dbraw/zinc/88/27/43/693882743.db2.gz PPEBSWRESNLJQG-WMLDXEAASA-N 1 3 322.428 2.015 20 0 DEADHO C[C@@H]1CC[C@@H](NC2CCN(c3ccc(N(C)C)cc3)CC2)C[NH2+]1 ZINC000863484040 686508894 /nfs/dbraw/zinc/50/88/94/686508894.db2.gz GYQLQMJUILVNIK-NVXWUHKLSA-N 1 3 316.493 2.452 20 0 DEADHO CN(C)CC1(C[NH2+]Cc2cnc3c(cnn3C)c2)CCCC1 ZINC000865527470 687247562 /nfs/dbraw/zinc/24/75/62/687247562.db2.gz FQXXCMMYWLCRCJ-UHFFFAOYSA-N 1 3 301.438 2.180 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000866153695 687468395 /nfs/dbraw/zinc/46/83/95/687468395.db2.gz QJTHHFQJJCYVMQ-RDJZCZTQSA-N 1 3 316.449 2.306 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000866153695 687468399 /nfs/dbraw/zinc/46/83/99/687468399.db2.gz QJTHHFQJJCYVMQ-RDJZCZTQSA-N 1 3 316.449 2.306 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC001015973762 687486436 /nfs/dbraw/zinc/48/64/36/687486436.db2.gz RQZNOCDLQWBSCR-IRXDYDNUSA-N 1 3 307.482 2.242 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001015973762 687486439 /nfs/dbraw/zinc/48/64/39/687486439.db2.gz RQZNOCDLQWBSCR-IRXDYDNUSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H](F)CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001016329728 687593347 /nfs/dbraw/zinc/59/33/47/687593347.db2.gz MWIVYDPJOAXIQO-GDBMZVCRSA-N 1 3 321.440 2.300 20 0 DEADHO C[C@@H](F)CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001016329728 687593351 /nfs/dbraw/zinc/59/33/51/687593351.db2.gz MWIVYDPJOAXIQO-GDBMZVCRSA-N 1 3 321.440 2.300 20 0 DEADHO Cc1cc(=O)oc2cc(OCCN3C[C@@H](C[NH3+])[C@H](C)C3)ccc12 ZINC000866672620 687648455 /nfs/dbraw/zinc/64/84/55/687648455.db2.gz PBKTVWWOHRUCCU-ZIAGYGMSSA-N 1 3 316.401 2.007 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](C(C)C)CC2 ZINC001016651936 687674426 /nfs/dbraw/zinc/67/44/26/687674426.db2.gz LOWXDCJYGBEOMM-CVEARBPZSA-N 1 3 307.482 2.240 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CC1)CC2 ZINC001016652137 687674694 /nfs/dbraw/zinc/67/46/94/687674694.db2.gz OZBLOQOUPBMNNM-DLBZAZTESA-N 1 3 319.493 2.242 20 0 DEADHO CC(C)=CC[NH+]1CCC2(C[C@H]2NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001016821334 687709654 /nfs/dbraw/zinc/70/96/54/687709654.db2.gz ZVZLGNFIGXUFBI-IAGOWNOFSA-N 1 3 319.493 2.265 20 0 DEADHO CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001017226487 687833363 /nfs/dbraw/zinc/83/33/63/687833363.db2.gz JZQIBMABNJQPEN-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001017226487 687833365 /nfs/dbraw/zinc/83/33/65/687833365.db2.gz JZQIBMABNJQPEN-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H]([NH3+])[C@@H](C)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000867997903 687869002 /nfs/dbraw/zinc/86/90/02/687869002.db2.gz MAJCKSNTZJCXGD-BFYDXBDKSA-N 1 3 303.450 2.141 20 0 DEADHO CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001017550282 687909808 /nfs/dbraw/zinc/90/98/08/687909808.db2.gz WMROZAWKBURGDQ-XLAORIBOSA-N 1 3 319.493 2.336 20 0 DEADHO CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001017550282 687909812 /nfs/dbraw/zinc/90/98/12/687909812.db2.gz WMROZAWKBURGDQ-XLAORIBOSA-N 1 3 319.493 2.336 20 0 DEADHO CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1CN(CC1CC(C)C1)C2)[NH+](C)C ZINC001017640144 687929930 /nfs/dbraw/zinc/92/99/30/687929930.db2.gz RWWNRKDAZAZLRF-YOHUBWIESA-N 1 3 321.509 2.294 20 0 DEADHO CC(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCC[C@@H]1C ZINC001017942685 688006666 /nfs/dbraw/zinc/00/66/66/688006666.db2.gz SZFHVUKLENJDSR-YESZJQIVSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCC[C@@H]1C ZINC001017942685 688006668 /nfs/dbraw/zinc/00/66/68/688006668.db2.gz SZFHVUKLENJDSR-YESZJQIVSA-N 1 3 307.482 2.192 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001018634200 688190370 /nfs/dbraw/zinc/19/03/70/688190370.db2.gz HBMSWFQETYDWSW-JKSUJKDBSA-N 1 3 321.852 2.125 20 0 DEADHO CCc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1 ZINC001018635232 688190695 /nfs/dbraw/zinc/19/06/95/688190695.db2.gz OFYQUTWKTLUFCS-ROUUACIJSA-N 1 3 315.461 2.034 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1)C1CC1 ZINC001018966293 688262699 /nfs/dbraw/zinc/26/26/99/688262699.db2.gz GAACRQAUAZGBDW-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)C1)C1CC1 ZINC001018966507 688263040 /nfs/dbraw/zinc/26/30/40/688263040.db2.gz KZYHYXUMTAMJTK-DLBZAZTESA-N 1 3 305.466 2.018 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C1)C1CC1 ZINC001018966869 688263123 /nfs/dbraw/zinc/26/31/23/688263123.db2.gz VTBDIZMHHQJZLS-ROUUACIJSA-N 1 3 319.493 2.408 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2csc(C)c2)C1)N(C)C ZINC001019394259 688345457 /nfs/dbraw/zinc/34/54/57/688345457.db2.gz CDVDAWAKCFPDCF-GJZGRUSLSA-N 1 3 309.479 2.087 20 0 DEADHO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000870854213 688667647 /nfs/dbraw/zinc/66/76/47/688667647.db2.gz ORAZKHNUJFYSSY-MJQMVNBJSA-N 1 3 313.445 2.067 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)N(C)C)cc1 ZINC000870874870 688675138 /nfs/dbraw/zinc/67/51/38/688675138.db2.gz PSGJXLZPOUPBMI-BRWVUGGUSA-N 1 3 303.450 2.231 20 0 DEADHO CN(C)Cc1ccc(-c2noc([C@@H]3[C@H](C[NH3+])C3(F)F)n2)cc1 ZINC000871783831 688868120 /nfs/dbraw/zinc/86/81/20/688868120.db2.gz HHGDNHUPQKLTTK-RYUDHWBXSA-N 1 3 308.332 2.106 20 0 DEADHO CCN1CCN(CCC[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000872023456 688915273 /nfs/dbraw/zinc/91/52/73/688915273.db2.gz SBGKAWDFYBASAF-DLBZAZTESA-N 1 3 311.514 2.197 20 0 DEADHO C[C@H]1CC2(CN1CCCS(=O)(=O)C(C)(C)C)CC[NH2+]CC2 ZINC000872145071 688935695 /nfs/dbraw/zinc/93/56/95/688935695.db2.gz OHGGTIKOEBJXKK-AWEZNQCLSA-N 1 3 316.511 2.054 20 0 DEADHO C[C@@]1(C(F)(F)F)CC[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000872146642 688936630 /nfs/dbraw/zinc/93/66/30/688936630.db2.gz UEFIMSJNHAGPSS-SOUVJXGZSA-N 1 3 316.367 2.192 20 0 DEADHO C[C@@]1(C(F)(F)F)CC[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000872146642 688936632 /nfs/dbraw/zinc/93/66/32/688936632.db2.gz UEFIMSJNHAGPSS-SOUVJXGZSA-N 1 3 316.367 2.192 20 0 DEADHO C[C@@H](NC(=O)CN(C)CCCCCC[NH3+])c1ccc(F)cc1 ZINC000872154994 688939479 /nfs/dbraw/zinc/93/94/79/688939479.db2.gz JBYNQWDTEBDEKJ-CQSZACIVSA-N 1 3 309.429 2.454 20 0 DEADHO CC(C)CNC(=O)CN1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156727 688940092 /nfs/dbraw/zinc/94/00/92/688940092.db2.gz CRSDPTHCTLRZJF-NVXWUHKLSA-N 1 3 309.498 2.378 20 0 DEADHO [NH3+][C@@H](C[C@@H]1CCCN(CC(=O)NCC2CC2)C1)C1CCCC1 ZINC000872158691 688941132 /nfs/dbraw/zinc/94/11/32/688941132.db2.gz XAGVLQZQWRSPLC-RDJZCZTQSA-N 1 3 307.482 2.132 20 0 DEADHO [NH3+][C@@H](C[C@H]1CCCN(CC(=O)NCC2CC2)C1)C1CCCC1 ZINC000872158692 688941412 /nfs/dbraw/zinc/94/14/12/688941412.db2.gz XAGVLQZQWRSPLC-WBVHZDCISA-N 1 3 307.482 2.132 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC(C)C)CC[N@@H+]1C ZINC001032413620 689143870 /nfs/dbraw/zinc/14/38/70/689143870.db2.gz NAFFVLSCHKXZET-LUKYLMHMSA-N 1 3 307.482 2.048 20 0 DEADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC(C)C)CC[N@H+]1C ZINC001032413620 689143871 /nfs/dbraw/zinc/14/38/71/689143871.db2.gz NAFFVLSCHKXZET-LUKYLMHMSA-N 1 3 307.482 2.048 20 0 DEADHO COCCOC1CCN(Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873204498 689182296 /nfs/dbraw/zinc/18/22/96/689182296.db2.gz DVOBKPDBSJPYMW-UHFFFAOYSA-N 1 3 310.463 2.021 20 0 DEADHO Cc1ccsc1C[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873218782 689186114 /nfs/dbraw/zinc/18/61/14/689186114.db2.gz QWBPQRGNWPOOEV-UHFFFAOYSA-N 1 3 313.430 2.386 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCC1 ZINC001032627023 689205603 /nfs/dbraw/zinc/20/56/03/689205603.db2.gz QKJWEJZBVVARKQ-SZMVWBNQSA-N 1 3 319.493 2.336 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCC1 ZINC001032627023 689205607 /nfs/dbraw/zinc/20/56/07/689205607.db2.gz QKJWEJZBVVARKQ-SZMVWBNQSA-N 1 3 319.493 2.336 20 0 DEADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001032684039 689224439 /nfs/dbraw/zinc/22/44/39/689224439.db2.gz BIMZROHHIHQALW-ROUUACIJSA-N 1 3 315.461 2.303 20 0 DEADHO CCN(C(=O)[C@H]1CCCN1C(C)C)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001033825639 689628298 /nfs/dbraw/zinc/62/82/98/689628298.db2.gz GJKFMLKEAXRQGF-IAGOWNOFSA-N 1 3 309.498 2.438 20 0 DEADHO CCN(C(=O)[C@H]1CCCN1C(C)C)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001033825639 689628299 /nfs/dbraw/zinc/62/82/99/689628299.db2.gz GJKFMLKEAXRQGF-IAGOWNOFSA-N 1 3 309.498 2.438 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CCCF)C1 ZINC001034238268 689776830 /nfs/dbraw/zinc/77/68/30/689776830.db2.gz BRVDPQKMRFZLPC-JKSUJKDBSA-N 1 3 313.461 2.191 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CCCF)C1 ZINC001034238268 689776834 /nfs/dbraw/zinc/77/68/34/689776834.db2.gz BRVDPQKMRFZLPC-JKSUJKDBSA-N 1 3 313.461 2.191 20 0 DEADHO CN1CCCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000876205308 689781245 /nfs/dbraw/zinc/78/12/45/689781245.db2.gz KBQAJXWXXCXQHA-KRWDZBQOSA-N 1 3 322.497 2.131 20 0 DEADHO CN1CCCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000876205308 689781249 /nfs/dbraw/zinc/78/12/49/689781249.db2.gz KBQAJXWXXCXQHA-KRWDZBQOSA-N 1 3 322.497 2.131 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CC2)CC1 ZINC001034797063 689949499 /nfs/dbraw/zinc/94/94/99/689949499.db2.gz VFHYHEKFQPSOTO-OTRWWLKZSA-N 1 3 307.482 2.286 20 0 DEADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000876887439 689964928 /nfs/dbraw/zinc/96/49/28/689964928.db2.gz XOOXWIIRZADPEH-BZOVTKSESA-N 1 3 301.434 2.407 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1C)N(C)C ZINC001034971245 690001029 /nfs/dbraw/zinc/00/10/29/690001029.db2.gz HMSQXVLJGOIEDW-QZTJIDSGSA-N 1 3 317.477 2.416 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]Cc2ccsc2)C1 ZINC001035049813 690021085 /nfs/dbraw/zinc/02/10/85/690021085.db2.gz TWYWTAFVQVKIQZ-GDBMZVCRSA-N 1 3 321.490 2.171 20 0 DEADHO CC[C@H](N)C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000877201326 690044680 /nfs/dbraw/zinc/04/46/80/690044680.db2.gz FKQUIDLPYLNLBV-KRWDZBQOSA-N 1 3 303.450 2.142 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CC[C@@H]([NH3+])CC3)C2)cc1 ZINC000877222032 690049313 /nfs/dbraw/zinc/04/93/13/690049313.db2.gz WHGSEEAIACNEMN-FGTMMUONSA-N 1 3 315.461 2.203 20 0 DEADHO CC[C@H](C(=O)N1CCC2(CC[N@H+](CCC3CC3)C2)CC1)N(C)C ZINC001035196907 690056574 /nfs/dbraw/zinc/05/65/74/690056574.db2.gz GWAOVNRQZBDQGH-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N1CCC2(CC[N@@H+](CCC3CC3)C2)CC1)N(C)C ZINC001035196907 690056575 /nfs/dbraw/zinc/05/65/75/690056575.db2.gz GWAOVNRQZBDQGH-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC2(CC[N@H+](CC3CC3)C2)CC1 ZINC001035225809 690065930 /nfs/dbraw/zinc/06/59/30/690065930.db2.gz AMKIQVZCLMPSCG-MRXNPFEDSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CCC2(CC[N@@H+](CC3CC3)C2)CC1 ZINC001035225809 690065932 /nfs/dbraw/zinc/06/59/32/690065932.db2.gz AMKIQVZCLMPSCG-MRXNPFEDSA-N 1 3 319.493 2.195 20 0 DEADHO CCCC[N@@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001035232009 690068196 /nfs/dbraw/zinc/06/81/96/690068196.db2.gz VASXLXXNGKSYJN-UHFFFAOYSA-N 1 3 304.438 2.067 20 0 DEADHO CCCC[N@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001035232009 690068198 /nfs/dbraw/zinc/06/81/98/690068198.db2.gz VASXLXXNGKSYJN-UHFFFAOYSA-N 1 3 304.438 2.067 20 0 DEADHO CCCC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001035254491 690075120 /nfs/dbraw/zinc/07/51/20/690075120.db2.gz JCOBFUVSYMLKGM-UHFFFAOYSA-N 1 3 307.482 2.197 20 0 DEADHO CCCC[N@H+]1CCC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001035254491 690075125 /nfs/dbraw/zinc/07/51/25/690075125.db2.gz JCOBFUVSYMLKGM-UHFFFAOYSA-N 1 3 307.482 2.197 20 0 DEADHO N[C@H](C(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1)C1CCC1 ZINC000877445611 690115145 /nfs/dbraw/zinc/11/51/45/690115145.db2.gz RBHOHWMOXJSONL-XKQJLSEDSA-N 1 3 307.482 2.260 20 0 DEADHO CC1CC(C[NH+]2CC3(C2)CCN(C(=O)[C@@H]2CCCN2C)CC3)C1 ZINC001035668538 690147197 /nfs/dbraw/zinc/14/71/97/690147197.db2.gz HQVFBRFUXACYJK-JCYILVPMSA-N 1 3 319.493 2.051 20 0 DEADHO CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001035668555 690147255 /nfs/dbraw/zinc/14/72/55/690147255.db2.gz IABCSULJBKCTEO-JKSUJKDBSA-N 1 3 307.482 2.051 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CCC2(C[NH+](CC3CCCC3)C2)CC1 ZINC001035669826 690147666 /nfs/dbraw/zinc/14/76/66/690147666.db2.gz YKZZVWYWPKZBGR-KRWDZBQOSA-N 1 3 319.493 2.195 20 0 DEADHO CCCC[NH+]1CC2(C1)CCN(C(=O)[C@H](C1CC1)N(C)C)CC2 ZINC001035719839 690160125 /nfs/dbraw/zinc/16/01/25/690160125.db2.gz BRRFYBOOFWLYNN-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CN(c1ccccc1CNC1CSC1)C1CC[NH+](C)CC1 ZINC000877634992 690174421 /nfs/dbraw/zinc/17/44/21/690174421.db2.gz XXFNECOTFHAFOC-UHFFFAOYSA-N 1 3 305.491 2.422 20 0 DEADHO CCOC(=O)c1ccc(CN2CCC3(CC2)CC[NH+](C)CC3)[nH]1 ZINC000877683492 690189604 /nfs/dbraw/zinc/18/96/04/690189604.db2.gz CRZLIMUGONRLHC-UHFFFAOYSA-N 1 3 319.449 2.499 20 0 DEADHO CCOC(=O)c1cc(CNC2CCC(C)([NH+](C)C)CC2)on1 ZINC000877711536 690200004 /nfs/dbraw/zinc/20/00/04/690200004.db2.gz NBOBIRBSFLWLKV-UHFFFAOYSA-N 1 3 309.410 2.204 20 0 DEADHO CN1CC[NH+](C2CCN(Cc3cncc4ccccc43)CC2)CC1 ZINC000877747590 690214238 /nfs/dbraw/zinc/21/42/38/690214238.db2.gz SLFAXNVMGGLZEZ-UHFFFAOYSA-N 1 3 324.472 2.447 20 0 DEADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CCC1CC1 ZINC001036064790 690250965 /nfs/dbraw/zinc/25/09/65/690250965.db2.gz NGEATJVLDFAIIP-WMLDXEAASA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]([NH2+]CC1CC1)[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001036449724 690352970 /nfs/dbraw/zinc/35/29/70/690352970.db2.gz GXECHYSRKGEDSA-RDJZCZTQSA-N 1 3 321.509 2.345 20 0 DEADHO Cc1conc1CN1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000878389689 690394195 /nfs/dbraw/zinc/39/41/95/690394195.db2.gz QKTGSRCDNCZNKU-UHFFFAOYSA-N 1 3 307.438 2.307 20 0 DEADHO O[C@@H](CN1CCCN(c2cc[nH+]cc2)CC1)c1cccc(F)c1 ZINC000878744522 690489925 /nfs/dbraw/zinc/48/99/25/690489925.db2.gz SSLNXJUKNQMAOK-SFHVURJKSA-N 1 3 315.392 2.466 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2ccccc2)C1 ZINC001036830593 690491515 /nfs/dbraw/zinc/49/15/15/690491515.db2.gz XZEGGYPYXYXYEA-SJLPKXTDSA-N 1 3 324.428 2.075 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2ccccc2)C1 ZINC001036830593 690491517 /nfs/dbraw/zinc/49/15/17/690491517.db2.gz XZEGGYPYXYXYEA-SJLPKXTDSA-N 1 3 324.428 2.075 20 0 DEADHO CC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@H]21 ZINC001036902402 690522062 /nfs/dbraw/zinc/52/20/62/690522062.db2.gz KDHPAXREFQNUHZ-ZWKOTPCHSA-N 1 3 315.461 2.305 20 0 DEADHO CC[N@H+]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@H]21 ZINC001036902402 690522065 /nfs/dbraw/zinc/52/20/65/690522065.db2.gz KDHPAXREFQNUHZ-ZWKOTPCHSA-N 1 3 315.461 2.305 20 0 DEADHO CCC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@H]1CC ZINC001037924705 690641354 /nfs/dbraw/zinc/64/13/54/690641354.db2.gz AWKHNSCIYUDTOH-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO COc1ccc([C@@H]2C[N@H+](CCCn3ccnc3C)CCN2)cc1 ZINC000879521882 690659935 /nfs/dbraw/zinc/65/99/35/690659935.db2.gz ZAVZGBRZYKGCAG-SFHVURJKSA-N 1 3 314.433 2.237 20 0 DEADHO COc1ccc([C@@H]2C[N@@H+](CCCn3ccnc3C)CCN2)cc1 ZINC000879521882 690659938 /nfs/dbraw/zinc/65/99/38/690659938.db2.gz ZAVZGBRZYKGCAG-SFHVURJKSA-N 1 3 314.433 2.237 20 0 DEADHO COc1ccc([C@@H]2CN(CCCn3ccnc3C)CC[NH2+]2)cc1 ZINC000879521882 690659940 /nfs/dbraw/zinc/65/99/40/690659940.db2.gz ZAVZGBRZYKGCAG-SFHVURJKSA-N 1 3 314.433 2.237 20 0 DEADHO CC(C)N1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038250342 690758603 /nfs/dbraw/zinc/75/86/03/690758603.db2.gz ZWLQQBVPPZQTFQ-WBVHZDCISA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038250342 690758606 /nfs/dbraw/zinc/75/86/06/690758606.db2.gz ZWLQQBVPPZQTFQ-WBVHZDCISA-N 1 3 307.482 2.240 20 0 DEADHO C[N@@H+]1CC[C@@H]2CN(CCc3nc(-c4ccccc4)no3)C[C@@H]2C1 ZINC000931440043 694396314 /nfs/dbraw/zinc/39/63/14/694396314.db2.gz SQTRCGANROEXHV-CVEARBPZSA-N 1 3 312.417 2.163 20 0 DEADHO C[N@H+]1CC[C@@H]2CN(CCc3nc(-c4ccccc4)no3)C[C@@H]2C1 ZINC000931440043 694396317 /nfs/dbraw/zinc/39/63/17/694396317.db2.gz SQTRCGANROEXHV-CVEARBPZSA-N 1 3 312.417 2.163 20 0 DEADHO COC[C@H](CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1)OC ZINC000880023237 690783678 /nfs/dbraw/zinc/78/36/78/690783678.db2.gz VDBLCPMGIHHMFA-GBESFXJTSA-N 1 3 318.461 2.102 20 0 DEADHO COC[C@H](CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1)OC ZINC000880023237 690783681 /nfs/dbraw/zinc/78/36/81/690783681.db2.gz VDBLCPMGIHHMFA-GBESFXJTSA-N 1 3 318.461 2.102 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCN1CC(C)C ZINC001038908133 690963700 /nfs/dbraw/zinc/96/37/00/690963700.db2.gz HYJXCXVYSJORRQ-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCN1CC(C)C ZINC001038908133 690963705 /nfs/dbraw/zinc/96/37/05/690963705.db2.gz HYJXCXVYSJORRQ-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001039111751 691022789 /nfs/dbraw/zinc/02/27/89/691022789.db2.gz ADYTUVQRNPNKQJ-MSOLQXFVSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001039111751 691022793 /nfs/dbraw/zinc/02/27/93/691022793.db2.gz ADYTUVQRNPNKQJ-MSOLQXFVSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001039132923 691029738 /nfs/dbraw/zinc/02/97/38/691029738.db2.gz CYURTYRPHXFPDU-ROUUACIJSA-N 1 3 321.509 2.296 20 0 DEADHO CC(C)[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001039132923 691029739 /nfs/dbraw/zinc/02/97/39/691029739.db2.gz CYURTYRPHXFPDU-ROUUACIJSA-N 1 3 321.509 2.296 20 0 DEADHO CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001039135141 691029929 /nfs/dbraw/zinc/02/99/29/691029929.db2.gz YJDVGMRTMNZONL-ROUUACIJSA-N 1 3 321.509 2.297 20 0 DEADHO CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001039135141 691029932 /nfs/dbraw/zinc/02/99/32/691029932.db2.gz YJDVGMRTMNZONL-ROUUACIJSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001039165842 691037490 /nfs/dbraw/zinc/03/74/90/691037490.db2.gz SWYYHWIYMUZMOS-SJLPKXTDSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001039165842 691037491 /nfs/dbraw/zinc/03/74/91/691037491.db2.gz SWYYHWIYMUZMOS-SJLPKXTDSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CC[C@H](C)C1 ZINC001039298098 691076747 /nfs/dbraw/zinc/07/67/47/691076747.db2.gz KESIVRWHIVQFJK-OOKSDGMUSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040390561 691241070 /nfs/dbraw/zinc/24/10/70/691241070.db2.gz KFXLGBNGBDYBGN-LJQANCHMSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040390561 691241073 /nfs/dbraw/zinc/24/10/73/691241073.db2.gz KFXLGBNGBDYBGN-LJQANCHMSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001040394821 691241867 /nfs/dbraw/zinc/24/18/67/691241867.db2.gz LQNUUMVORZNDOD-PKOBYXMFSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001040394821 691241868 /nfs/dbraw/zinc/24/18/68/691241868.db2.gz LQNUUMVORZNDOD-PKOBYXMFSA-N 1 3 321.509 2.299 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040421909 691245242 /nfs/dbraw/zinc/24/52/42/691245242.db2.gz IAJZHBPWGLERIO-CRAIPNDOSA-N 1 3 318.465 2.313 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040421909 691245246 /nfs/dbraw/zinc/24/52/46/691245246.db2.gz IAJZHBPWGLERIO-CRAIPNDOSA-N 1 3 318.465 2.313 20 0 DEADHO CC(C)=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040423042 691245962 /nfs/dbraw/zinc/24/59/62/691245962.db2.gz QMOHPYAIGVPQOY-GOSISDBHSA-N 1 3 316.449 2.233 20 0 DEADHO CC(C)=CC[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040423042 691245965 /nfs/dbraw/zinc/24/59/65/691245965.db2.gz QMOHPYAIGVPQOY-GOSISDBHSA-N 1 3 316.449 2.233 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040465537 691251818 /nfs/dbraw/zinc/25/18/18/691251818.db2.gz ZYZLUHWOGGLSEF-LJQANCHMSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040465537 691251822 /nfs/dbraw/zinc/25/18/22/691251822.db2.gz ZYZLUHWOGGLSEF-LJQANCHMSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001041358887 691367270 /nfs/dbraw/zinc/36/72/70/691367270.db2.gz RFMHZBGTBLPMQC-MJGOQNOKSA-N 1 3 319.493 2.217 20 0 DEADHO CC(C)=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001041358887 691367271 /nfs/dbraw/zinc/36/72/71/691367271.db2.gz RFMHZBGTBLPMQC-MJGOQNOKSA-N 1 3 319.493 2.217 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CCC3CC3)C2)C1)C1CC1 ZINC001041359132 691367390 /nfs/dbraw/zinc/36/73/90/691367390.db2.gz SCEMBPMVACSHNZ-MJGOQNOKSA-N 1 3 319.493 2.051 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CCC3CC3)C2)C1)C1CC1 ZINC001041359132 691367393 /nfs/dbraw/zinc/36/73/93/691367393.db2.gz SCEMBPMVACSHNZ-MJGOQNOKSA-N 1 3 319.493 2.051 20 0 DEADHO COCC[C@@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000884186364 691676850 /nfs/dbraw/zinc/67/68/50/691676850.db2.gz YANIPFXNQIKDLL-WMLDXEAASA-N 1 3 319.449 2.221 20 0 DEADHO COCC[C@@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000884186364 691676853 /nfs/dbraw/zinc/67/68/53/691676853.db2.gz YANIPFXNQIKDLL-WMLDXEAASA-N 1 3 319.449 2.221 20 0 DEADHO COCC[C@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000884186362 691677008 /nfs/dbraw/zinc/67/70/08/691677008.db2.gz YANIPFXNQIKDLL-PBHICJAKSA-N 1 3 319.449 2.221 20 0 DEADHO COCC[C@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000884186362 691677010 /nfs/dbraw/zinc/67/70/10/691677010.db2.gz YANIPFXNQIKDLL-PBHICJAKSA-N 1 3 319.449 2.221 20 0 DEADHO N[C@H](CC1CC1)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000884199533 691680571 /nfs/dbraw/zinc/68/05/71/691680571.db2.gz CQAQVNBRNJMPQZ-QGZVFWFLSA-N 1 3 301.434 2.391 20 0 DEADHO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@@H](N)CC2CC2)CC1 ZINC000884209204 691683173 /nfs/dbraw/zinc/68/31/73/691683173.db2.gz UMYFICIINJHVIG-HNNXBMFYSA-N 1 3 316.449 2.259 20 0 DEADHO N[C@@H](CC1CC1)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000884210625 691683613 /nfs/dbraw/zinc/68/36/13/691683613.db2.gz FYZAHHBYISPWJJ-IRXDYDNUSA-N 1 3 307.482 2.228 20 0 DEADHO C[NH2+][C@@H](CC(C)C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000884314842 691707937 /nfs/dbraw/zinc/70/79/37/691707937.db2.gz XTFPZAYVFMQKJC-SZMVWBNQSA-N 1 3 317.477 2.257 20 0 DEADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000884357236 691718318 /nfs/dbraw/zinc/71/83/18/691718318.db2.gz USVFZUCUXYRCHI-CVEARBPZSA-N 1 3 301.434 2.138 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2C[NH2+]CC2=CCCCC2)C1 ZINC001045200382 691951207 /nfs/dbraw/zinc/95/12/07/691951207.db2.gz WKOZNXIQZYGREQ-WMZOPIPTSA-N 1 3 319.493 2.409 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1 ZINC001045200895 691951213 /nfs/dbraw/zinc/95/12/13/691951213.db2.gz UHVKVMGEKCGSQG-WMZOPIPTSA-N 1 3 315.461 2.252 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CC(C)(C)C1)N(C)C ZINC001045205142 691951515 /nfs/dbraw/zinc/95/15/15/691951515.db2.gz FOZATJOUJICEDN-HOTGVXAUSA-N 1 3 309.498 2.343 20 0 DEADHO CN(CCOC1CCCCC1)CC[N@H+](C)C1CCN(C)CC1 ZINC000886090168 692001446 /nfs/dbraw/zinc/00/14/46/692001446.db2.gz REOQDZADKUBAMM-UHFFFAOYSA-N 1 3 311.514 2.294 20 0 DEADHO CN(CCOC1CCCCC1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000886090168 692001448 /nfs/dbraw/zinc/00/14/48/692001448.db2.gz REOQDZADKUBAMM-UHFFFAOYSA-N 1 3 311.514 2.294 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@]2(CC[N@@H+](CCCF)C2)C1 ZINC001045969654 692065201 /nfs/dbraw/zinc/06/52/01/692065201.db2.gz WFVHTNODOLZXSQ-KRWDZBQOSA-N 1 3 322.428 2.016 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@]2(CC[N@H+](CCCF)C2)C1 ZINC001045969654 692065205 /nfs/dbraw/zinc/06/52/05/692065205.db2.gz WFVHTNODOLZXSQ-KRWDZBQOSA-N 1 3 322.428 2.016 20 0 DEADHO C[N@@H+]1CC[C@](O)(CN[C@@H]2CCCc3c4cc(F)ccc4[nH]c32)C1 ZINC000886589858 692121435 /nfs/dbraw/zinc/12/14/35/692121435.db2.gz HYCHHPZAFUBSRN-AEFFLSMTSA-N 1 3 317.408 2.341 20 0 DEADHO C[N@H+]1CC[C@](O)(CN[C@@H]2CCCc3c4cc(F)ccc4[nH]c32)C1 ZINC000886589858 692121439 /nfs/dbraw/zinc/12/14/39/692121439.db2.gz HYCHHPZAFUBSRN-AEFFLSMTSA-N 1 3 317.408 2.341 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CC2CCC2)C1 ZINC001046316013 692150203 /nfs/dbraw/zinc/15/02/03/692150203.db2.gz MDCCURWLEKWEFH-FUHWJXTLSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CC2CCC2)C1 ZINC001046316013 692150204 /nfs/dbraw/zinc/15/02/04/692150204.db2.gz MDCCURWLEKWEFH-FUHWJXTLSA-N 1 3 307.482 2.240 20 0 DEADHO O=C(CCN1CCCC[C@]2(CC[NH2+]C2)C1)Nc1ccccc1 ZINC000886869768 692216317 /nfs/dbraw/zinc/21/63/17/692216317.db2.gz HOGZLLSOIFEERJ-GOSISDBHSA-N 1 3 301.434 2.481 20 0 DEADHO CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001048527467 692639354 /nfs/dbraw/zinc/63/93/54/692639354.db2.gz PYCGQQHYOIVVLH-YVSFHVDLSA-N 1 3 307.482 2.238 20 0 DEADHO CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001048527467 692639356 /nfs/dbraw/zinc/63/93/56/692639356.db2.gz PYCGQQHYOIVVLH-YVSFHVDLSA-N 1 3 307.482 2.238 20 0 DEADHO CC(C)C[N@H+]1C[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC001048820649 692703898 /nfs/dbraw/zinc/70/38/98/692703898.db2.gz NDVUFCRNTGWXKE-CALCHBBNSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)C[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC001048820649 692703902 /nfs/dbraw/zinc/70/39/02/692703902.db2.gz NDVUFCRNTGWXKE-CALCHBBNSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCC3CCCC3)C[C@@H]2C1)N(C)C ZINC001049067235 692755125 /nfs/dbraw/zinc/75/51/25/692755125.db2.gz SUIRMLREUPDYHA-KSZLIROESA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCC3CCCC3)C[C@@H]2C1)N(C)C ZINC001049067235 692755128 /nfs/dbraw/zinc/75/51/28/692755128.db2.gz SUIRMLREUPDYHA-KSZLIROESA-N 1 3 321.509 2.297 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2C1 ZINC001049232057 692795282 /nfs/dbraw/zinc/79/52/82/692795282.db2.gz QQNDQGCKEWZCFA-AHCXZYCDSA-N 1 3 319.493 2.050 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@@H]2C[N@H+](CCC3CC3)C[C@@H]2C1 ZINC001049232057 692795286 /nfs/dbraw/zinc/79/52/86/692795286.db2.gz QQNDQGCKEWZCFA-AHCXZYCDSA-N 1 3 319.493 2.050 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCN1C(C)C ZINC001049463791 692890030 /nfs/dbraw/zinc/89/00/30/692890030.db2.gz JIZKUIMIGZBLMF-ZACQAIPSSA-N 1 3 307.482 2.335 20 0 DEADHO CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCN1C(C)C ZINC001049463791 692890036 /nfs/dbraw/zinc/89/00/36/692890036.db2.gz JIZKUIMIGZBLMF-ZACQAIPSSA-N 1 3 307.482 2.335 20 0 DEADHO CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049478982 692895787 /nfs/dbraw/zinc/89/57/87/692895787.db2.gz WIBJBFIRORAVJV-HZPDHXFCSA-N 1 3 307.482 2.336 20 0 DEADHO CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049478982 692895789 /nfs/dbraw/zinc/89/57/89/692895789.db2.gz WIBJBFIRORAVJV-HZPDHXFCSA-N 1 3 307.482 2.336 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CC1 ZINC001049508547 692904357 /nfs/dbraw/zinc/90/43/57/692904357.db2.gz QFLLBEGHIYBDLL-KZNAEPCWSA-N 1 3 319.493 2.336 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CC1 ZINC001049508547 692904359 /nfs/dbraw/zinc/90/43/59/692904359.db2.gz QFLLBEGHIYBDLL-KZNAEPCWSA-N 1 3 319.493 2.336 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC1CC1)N(C)C ZINC001049531427 692913122 /nfs/dbraw/zinc/91/31/22/692913122.db2.gz BISMPXCSRDLFMY-KURKYZTESA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC1CC1)N(C)C ZINC001049531427 692913124 /nfs/dbraw/zinc/91/31/24/692913124.db2.gz BISMPXCSRDLFMY-KURKYZTESA-N 1 3 321.509 2.438 20 0 DEADHO CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001050046663 693091028 /nfs/dbraw/zinc/09/10/28/693091028.db2.gz KQEBQJMSCMAVGS-YESZJQIVSA-N 1 3 307.482 2.192 20 0 DEADHO CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001050046663 693091031 /nfs/dbraw/zinc/09/10/31/693091031.db2.gz KQEBQJMSCMAVGS-YESZJQIVSA-N 1 3 307.482 2.192 20 0 DEADHO C[C@H](NCc1ccc(N2CC[NH+](C)CC2)nc1)c1ccns1 ZINC000924629033 693162475 /nfs/dbraw/zinc/16/24/75/693162475.db2.gz YZQNXCXUWPMOTC-ZDUSSCGKSA-N 1 3 317.462 2.141 20 0 DEADHO C[C@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)C1(Cl)CC1 ZINC000924921914 693202390 /nfs/dbraw/zinc/20/23/90/693202390.db2.gz ZCXLXGGVJWGRKW-ZDUSSCGKSA-N 1 3 323.868 2.228 20 0 DEADHO CC(C)C[NH+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001050546904 693205026 /nfs/dbraw/zinc/20/50/26/693205026.db2.gz SZHRMJJIUVYCOT-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO CN(CCC[NH2+]C1[C@@H]2CC[C@H]1CN(C)C2)C(=O)OC(C)(C)C ZINC000924952463 693206091 /nfs/dbraw/zinc/20/60/91/693206091.db2.gz WSCAJLFBBUDREP-YIONKMFJSA-N 1 3 311.470 2.173 20 0 DEADHO CCCC[NH+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC1 ZINC001050650021 693223597 /nfs/dbraw/zinc/22/35/97/693223597.db2.gz AUQXRQVBSHYPRD-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CC[NH+](CCC2CC2)CC3)C1 ZINC001050662750 693226842 /nfs/dbraw/zinc/22/68/42/693226842.db2.gz NBMHREVJXBQRDM-MRXNPFEDSA-N 1 3 319.493 2.053 20 0 DEADHO CC(C)CC[NH+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001050663581 693227668 /nfs/dbraw/zinc/22/76/68/693227668.db2.gz VRKHXLHYLVEGGA-KRWDZBQOSA-N 1 3 321.509 2.299 20 0 DEADHO FC(F)(F)CN1CC[C@H](N[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925533611 693290820 /nfs/dbraw/zinc/29/08/20/693290820.db2.gz CNVMRWDWPDBKDG-ZNMIVQPWSA-N 1 3 319.415 2.381 20 0 DEADHO CC1(C)C[C@@H](NCc2cccc(CS(C)(=O)=O)c2)C[C@@H]([NH3+])C1 ZINC000925546672 693294029 /nfs/dbraw/zinc/29/40/29/693294029.db2.gz MHIMTBAJDFIFLW-CVEARBPZSA-N 1 3 324.490 2.227 20 0 DEADHO NC(=O)c1cccc(CC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)c1 ZINC000925592831 693304781 /nfs/dbraw/zinc/30/47/81/693304781.db2.gz JDMNPHYDOUJFQN-ROUUACIJSA-N 1 3 315.461 2.086 20 0 DEADHO C[C@H]1[NH2+]CCC[C@H]1NCCCC(=O)N1CCc2ccccc21 ZINC000925599217 693307234 /nfs/dbraw/zinc/30/72/34/693307234.db2.gz XSEQMUMLMKJBCU-GDBMZVCRSA-N 1 3 301.434 2.086 20 0 DEADHO Cn1cncc1[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CCO1 ZINC000925652162 693317894 /nfs/dbraw/zinc/31/78/94/693317894.db2.gz CZCCAPHRDGFUFK-WLGNDBIMSA-N 1 3 318.465 2.006 20 0 DEADHO Cn1cncc1[C@@H]1C[C@H](N[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCO1 ZINC000925652162 693317900 /nfs/dbraw/zinc/31/79/00/693317900.db2.gz CZCCAPHRDGFUFK-WLGNDBIMSA-N 1 3 318.465 2.006 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000926284642 693428625 /nfs/dbraw/zinc/42/86/25/693428625.db2.gz NUWZRHACGGMSFY-XCYODHTDSA-N 1 3 318.436 2.222 20 0 DEADHO COc1cnc(F)c(CN2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c1 ZINC001343335243 1150735456 /nfs/dbraw/zinc/73/54/56/1150735456.db2.gz WICPDQZXOHWSRB-KCQAQPDRSA-N 1 3 307.413 2.391 20 0 DEADHO O[C@@H](C[NH2+]CCc1c(F)cccc1Cl)CN1CCCC1 ZINC001351680379 1151596360 /nfs/dbraw/zinc/59/63/60/1151596360.db2.gz WTMMATSFNXVKGA-LBPRGKRZSA-N 1 3 300.805 2.068 20 0 DEADHO CCOC(=O)c1ncc(CNCCC2CC[NH+](C)CC2)s1 ZINC001351985964 1151644613 /nfs/dbraw/zinc/64/46/13/1151644613.db2.gz CBGLHHRBBIPRGU-UHFFFAOYSA-N 1 3 311.451 2.141 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC001402686056 1162442084 /nfs/dbraw/zinc/44/20/84/1162442084.db2.gz PEFWGZSKKFCZGF-HNNXBMFYSA-N 1 3 323.506 2.417 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC001402686056 1162442086 /nfs/dbraw/zinc/44/20/86/1162442086.db2.gz PEFWGZSKKFCZGF-HNNXBMFYSA-N 1 3 323.506 2.417 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001402781868 1162470691 /nfs/dbraw/zinc/47/06/91/1162470691.db2.gz NQGITYXNPFDVES-XJKSGUPXSA-N 1 3 318.465 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001402781868 1162470695 /nfs/dbraw/zinc/47/06/95/1162470695.db2.gz NQGITYXNPFDVES-XJKSGUPXSA-N 1 3 318.465 2.277 20 0 DEADHO CC1CCN(CC[C@@H]2CCC[N@@H+]2CC[C@H]2CCNC2=O)CC1 ZINC001414031385 1152532655 /nfs/dbraw/zinc/53/26/55/1152532655.db2.gz BFTYSHYUDUBEHU-SJORKVTESA-N 1 3 307.482 2.099 20 0 DEADHO CC1CCN(CC[C@@H]2CCC[N@H+]2CC[C@H]2CCNC2=O)CC1 ZINC001414031385 1152532660 /nfs/dbraw/zinc/53/26/60/1152532660.db2.gz BFTYSHYUDUBEHU-SJORKVTESA-N 1 3 307.482 2.099 20 0 DEADHO CC1CCN(CC[C@@H]2CCC[N@@H+]2C[C@@]2(O)CCCOC2)CC1 ZINC001414038054 1152544231 /nfs/dbraw/zinc/54/42/31/1152544231.db2.gz UACHAULMBMANAN-ROUUACIJSA-N 1 3 310.482 2.114 20 0 DEADHO CC1CCN(CC[C@@H]2CCC[N@H+]2C[C@@]2(O)CCCOC2)CC1 ZINC001414038054 1152544236 /nfs/dbraw/zinc/54/42/36/1152544236.db2.gz UACHAULMBMANAN-ROUUACIJSA-N 1 3 310.482 2.114 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC001361775019 1152737608 /nfs/dbraw/zinc/73/76/08/1152737608.db2.gz MNLSUPJKBGRZOR-IAGOWNOFSA-N 1 3 309.498 2.486 20 0 DEADHO CN(CC(=O)N(C)C1CC([NH2+]C/C=C/Cl)C1)CC(C)(C)C ZINC001380172029 1152762047 /nfs/dbraw/zinc/76/20/47/1152762047.db2.gz OCCWFALLMHFZKK-VOTSOKGWSA-N 1 3 315.889 2.296 20 0 DEADHO C[C@H](NCCF)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001380779772 1152856201 /nfs/dbraw/zinc/85/62/01/1152856201.db2.gz HSZGYEFPAGRICK-CABCVRRESA-N 1 3 321.440 2.265 20 0 DEADHO C[C@H](NCCF)c1ccc(CNC(=O)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC001380779772 1152856203 /nfs/dbraw/zinc/85/62/03/1152856203.db2.gz HSZGYEFPAGRICK-CABCVRRESA-N 1 3 321.440 2.265 20 0 DEADHO C[C@@H](NCCF)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001380779774 1152856350 /nfs/dbraw/zinc/85/63/50/1152856350.db2.gz HSZGYEFPAGRICK-HUUCEWRRSA-N 1 3 321.440 2.265 20 0 DEADHO C[C@@H](NCCF)c1ccc(CNC(=O)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC001380779774 1152856351 /nfs/dbraw/zinc/85/63/51/1152856351.db2.gz HSZGYEFPAGRICK-HUUCEWRRSA-N 1 3 321.440 2.265 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)[C@H](CC)N(C)C)CC1 ZINC001380804175 1152858880 /nfs/dbraw/zinc/85/88/80/1152858880.db2.gz NFBCDJZFTAJPKL-FPCVCCKLSA-N 1 3 315.477 2.339 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001362523830 1152955782 /nfs/dbraw/zinc/95/57/82/1152955782.db2.gz DXUCPUFYBVKILH-DLBZAZTESA-N 1 3 307.482 2.338 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001362523830 1152955784 /nfs/dbraw/zinc/95/57/84/1152955784.db2.gz DXUCPUFYBVKILH-DLBZAZTESA-N 1 3 307.482 2.338 20 0 DEADHO CC(C)CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001381297263 1152993858 /nfs/dbraw/zinc/99/38/58/1152993858.db2.gz OHERDKAZORIRBO-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001381297263 1152993864 /nfs/dbraw/zinc/99/38/64/1152993864.db2.gz OHERDKAZORIRBO-DLBZAZTESA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H](NCc1ccccc1F)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001381418964 1153051092 /nfs/dbraw/zinc/05/10/92/1153051092.db2.gz KUTXXXIMYLVLHL-ZIAGYGMSSA-N 1 3 321.440 2.150 20 0 DEADHO CCC(CC)Nc1ccncc1NC(=O)C1(C[NH+](C)C)CC1 ZINC001362783160 1153087875 /nfs/dbraw/zinc/08/78/75/1153087875.db2.gz WPAOYRWBXRNYER-UHFFFAOYSA-N 1 3 304.438 2.384 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001402908763 1162530961 /nfs/dbraw/zinc/53/09/61/1162530961.db2.gz AQTKTSQWZOPLRJ-TZMCWYRMSA-N 1 3 319.440 2.246 20 0 DEADHO CCC(CC)C[NH+]1CC([C@H](C)NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001381825149 1153240067 /nfs/dbraw/zinc/24/00/67/1153240067.db2.gz REGRJWAGWPCNDD-CABCVRRESA-N 1 3 309.498 2.201 20 0 DEADHO CN1CCCC[C@H]1C(=O)N1CCC([N@H+](C)C/C=C/Cl)CC1 ZINC001381984677 1153304912 /nfs/dbraw/zinc/30/49/12/1153304912.db2.gz WNHVYAVHSMXABS-BOSPYUDASA-N 1 3 313.873 2.146 20 0 DEADHO CN1CCCC[C@H]1C(=O)N1CCC([N@@H+](C)C/C=C/Cl)CC1 ZINC001381984677 1153304921 /nfs/dbraw/zinc/30/49/21/1153304921.db2.gz WNHVYAVHSMXABS-BOSPYUDASA-N 1 3 313.873 2.146 20 0 DEADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001382093179 1153354152 /nfs/dbraw/zinc/35/41/52/1153354152.db2.gz QPLRRHHWYABKFE-OAHLLOKOSA-N 1 3 321.509 2.488 20 0 DEADHO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)[C@@H]2C)c1 ZINC001382313331 1153420929 /nfs/dbraw/zinc/42/09/29/1153420929.db2.gz SUTVCCQBVNZQKS-AEFFLSMTSA-N 1 3 317.477 2.414 20 0 DEADHO C[C@@H](C[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)CN(C)C ZINC001363870596 1153682048 /nfs/dbraw/zinc/68/20/48/1153682048.db2.gz HWDNFQQNUSTSJK-RYUDHWBXSA-N 1 3 323.428 2.322 20 0 DEADHO C[C@@H](CNC[C@H](CC(F)F)NC(=O)OC(C)(C)C)C[NH+](C)C ZINC001363870596 1153682051 /nfs/dbraw/zinc/68/20/51/1153682051.db2.gz HWDNFQQNUSTSJK-RYUDHWBXSA-N 1 3 323.428 2.322 20 0 DEADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCOc1ccc3c(c1)OCO3)C2 ZINC001363871655 1153682716 /nfs/dbraw/zinc/68/27/16/1153682716.db2.gz MNEMFBDRRXNBAS-YIONKMFJSA-N 1 3 318.417 2.351 20 0 DEADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCOc1ccc3c(c1)OCO3)C2 ZINC001363871655 1153682720 /nfs/dbraw/zinc/68/27/20/1153682720.db2.gz MNEMFBDRRXNBAS-YIONKMFJSA-N 1 3 318.417 2.351 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1cccc(Cl)c1 ZINC001403006620 1162619227 /nfs/dbraw/zinc/61/92/27/1162619227.db2.gz PNNSZJKENHNMAE-ZIAGYGMSSA-N 1 3 323.868 2.276 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCC1CCCC1 ZINC001403010062 1162622997 /nfs/dbraw/zinc/62/29/97/1162622997.db2.gz MLCCAECTVNYARW-OLZOCXBDSA-N 1 3 306.454 2.324 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CCN(CCF)CC(C)(C)C1)[NH+](C)C ZINC001388844080 1155135394 /nfs/dbraw/zinc/13/53/94/1155135394.db2.gz WXIKYEOVUYZWBW-CABCVRRESA-N 1 3 315.477 2.149 20 0 DEADHO CCc1ccc(CN2CC[C@@H](NC(=O)CC[N@@H+](C)CC)C2)cc1 ZINC001389492724 1155352386 /nfs/dbraw/zinc/35/23/86/1155352386.db2.gz AHWQMKBSLOOPLA-GOSISDBHSA-N 1 3 317.477 2.281 20 0 DEADHO CCc1ccc(CN2CC[C@@H](NC(=O)CC[N@H+](C)CC)C2)cc1 ZINC001389492724 1155352391 /nfs/dbraw/zinc/35/23/91/1155352391.db2.gz AHWQMKBSLOOPLA-GOSISDBHSA-N 1 3 317.477 2.281 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC12CC[NH+](CC1CCC1)CC2)N(C)C ZINC001389532486 1155363136 /nfs/dbraw/zinc/36/31/36/1155363136.db2.gz SGQRZBYTQNJLPE-CVEARBPZSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1CCN(CC(=O)NC[C@@H]([NH2+]CC2CCCCC2)C2CC2)C1 ZINC001389675701 1155393017 /nfs/dbraw/zinc/39/30/17/1155393017.db2.gz YMQULAKHEKBXSV-MAUKXSAKSA-N 1 3 321.509 2.393 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCc1cccs1 ZINC001390353700 1155669342 /nfs/dbraw/zinc/66/93/42/1155669342.db2.gz AKNRNWQBHBELFN-GOEBONIOSA-N 1 3 323.506 2.258 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001390405394 1155704154 /nfs/dbraw/zinc/70/41/54/1155704154.db2.gz TVIZMYFLBXPNDT-RDJZCZTQSA-N 1 3 305.466 2.176 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCc1ccsc1 ZINC001390439051 1155716068 /nfs/dbraw/zinc/71/60/68/1155716068.db2.gz VPJZEGNNZXUOEB-GOEBONIOSA-N 1 3 323.506 2.463 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCc1ccsc1 ZINC001390439051 1155716074 /nfs/dbraw/zinc/71/60/74/1155716074.db2.gz VPJZEGNNZXUOEB-GOEBONIOSA-N 1 3 323.506 2.463 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001391059169 1156075339 /nfs/dbraw/zinc/07/53/39/1156075339.db2.gz GGJJFXLEOGAKLS-PBHICJAKSA-N 1 3 313.461 2.188 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001391059169 1156075346 /nfs/dbraw/zinc/07/53/46/1156075346.db2.gz GGJJFXLEOGAKLS-PBHICJAKSA-N 1 3 313.461 2.188 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2CC[N@H+](CC3CC(C)(C)C3)C2)CCC1 ZINC001391103732 1156118007 /nfs/dbraw/zinc/11/80/07/1156118007.db2.gz ZZZLBMOEZFTBIB-OAHLLOKOSA-N 1 3 321.509 2.345 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2CC[N@@H+](CC3CC(C)(C)C3)C2)CCC1 ZINC001391103732 1156118011 /nfs/dbraw/zinc/11/80/11/1156118011.db2.gz ZZZLBMOEZFTBIB-OAHLLOKOSA-N 1 3 321.509 2.345 20 0 DEADHO Cc1cccc(C[N@H+]2CC[C@H](CNC(=O)CN(C)C(C)C)C2)c1 ZINC001391121135 1156142107 /nfs/dbraw/zinc/14/21/07/1156142107.db2.gz XPRPAXCRFOHFQY-GOSISDBHSA-N 1 3 317.477 2.273 20 0 DEADHO Cc1cccc(C[N@@H+]2CC[C@H](CNC(=O)CN(C)C(C)C)C2)c1 ZINC001391121135 1156142109 /nfs/dbraw/zinc/14/21/09/1156142109.db2.gz XPRPAXCRFOHFQY-GOSISDBHSA-N 1 3 317.477 2.273 20 0 DEADHO Cc1ccccc1CN1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001391379947 1156371516 /nfs/dbraw/zinc/37/15/16/1156371516.db2.gz GZGTVQYBNJSCON-GOSISDBHSA-N 1 3 317.477 2.417 20 0 DEADHO CCCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1cccc(F)c1 ZINC001372749731 1156736458 /nfs/dbraw/zinc/73/64/58/1156736458.db2.gz UETHRIPVESTAEJ-MRXNPFEDSA-N 1 3 321.440 2.106 20 0 DEADHO CCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1cccc(F)c1 ZINC001372749731 1156736466 /nfs/dbraw/zinc/73/64/66/1156736466.db2.gz UETHRIPVESTAEJ-MRXNPFEDSA-N 1 3 321.440 2.106 20 0 DEADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N(C)Cc1cc(F)ccc1C ZINC001403185349 1162812178 /nfs/dbraw/zinc/81/21/78/1162812178.db2.gz HJZPMIJEHQXHPP-HNNXBMFYSA-N 1 3 323.456 2.412 20 0 DEADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N(C)Cc1cc(F)ccc1C ZINC001403185349 1162812180 /nfs/dbraw/zinc/81/21/80/1162812180.db2.gz HJZPMIJEHQXHPP-HNNXBMFYSA-N 1 3 323.456 2.412 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC([C@@H](C)[NH2+]CC[C@@H](C)F)CC1 ZINC001373027371 1156840802 /nfs/dbraw/zinc/84/08/02/1156840802.db2.gz FWDIWRYUZYSIEX-HUUCEWRRSA-N 1 3 315.477 2.291 20 0 DEADHO C[C@@H](C[NH2+]Cc1cccc(F)c1)N(C)C(=O)CN(C)C1CCC1 ZINC001392070278 1156861951 /nfs/dbraw/zinc/86/19/51/1156861951.db2.gz FZXINKGDWNTPGN-AWEZNQCLSA-N 1 3 321.440 2.247 20 0 DEADHO Cc1cccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001374099972 1157623954 /nfs/dbraw/zinc/62/39/54/1157623954.db2.gz SPZFINOHLMIFAN-SJLPKXTDSA-N 1 3 319.493 2.423 20 0 DEADHO CCC(CC)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](CC)N(C)C)[C@@H]2C1 ZINC001403445273 1162885122 /nfs/dbraw/zinc/88/51/22/1162885122.db2.gz HQTZJOCZXQRLSW-WCXIOVBPSA-N 1 3 309.498 2.057 20 0 DEADHO CCC(CC)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](CC)N(C)C)[C@@H]2C1 ZINC001403445273 1162885124 /nfs/dbraw/zinc/88/51/24/1162885124.db2.gz HQTZJOCZXQRLSW-WCXIOVBPSA-N 1 3 309.498 2.057 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]C/C=C\Cl)CCCC1)N(C)C ZINC001374177667 1157692788 /nfs/dbraw/zinc/69/27/88/1157692788.db2.gz DNBDFUVVKJCCKG-SZNGSJQDSA-N 1 3 301.862 2.098 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1(C)CC[NH+](CC2CC2)CC1 ZINC001393186093 1157745046 /nfs/dbraw/zinc/74/50/46/1157745046.db2.gz OTSMBRWEOLIMIW-HOTGVXAUSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001374246278 1157762249 /nfs/dbraw/zinc/76/22/49/1157762249.db2.gz CZTCOEXMGXPRFS-WMLDXEAASA-N 1 3 323.456 2.411 20 0 DEADHO Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH]cn1 ZINC001374292582 1157804556 /nfs/dbraw/zinc/80/45/56/1157804556.db2.gz FXUUOHKWFNYZSL-HUUCEWRRSA-N 1 3 314.433 2.458 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2)[C@@H](C)C1 ZINC001374386744 1157834725 /nfs/dbraw/zinc/83/47/25/1157834725.db2.gz SNKWIFHILBCILH-FUHWJXTLSA-N 1 3 317.477 2.355 20 0 DEADHO C[NH+](C)CCCC(=O)NCC1(NCc2cccc(F)c2)CCC1 ZINC001393563823 1157865316 /nfs/dbraw/zinc/86/53/16/1157865316.db2.gz YVYBHMJUZGWDLL-UHFFFAOYSA-N 1 3 321.440 2.296 20 0 DEADHO CC1CCC(C[N@H+](C)CCN(C)C(=O)[C@H]2CCCN2C)CC1 ZINC001374521557 1157886747 /nfs/dbraw/zinc/88/67/47/1157886747.db2.gz YFBVTYODPUSIPJ-OFLPRAFFSA-N 1 3 309.498 2.297 20 0 DEADHO CC1CCC(C[N@@H+](C)CCN(C)C(=O)[C@H]2CCCN2C)CC1 ZINC001374521557 1157886749 /nfs/dbraw/zinc/88/67/49/1157886749.db2.gz YFBVTYODPUSIPJ-OFLPRAFFSA-N 1 3 309.498 2.297 20 0 DEADHO CCc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001374769022 1158015313 /nfs/dbraw/zinc/01/53/13/1158015313.db2.gz QAEKIDJFUIQBSL-QAPCUYQASA-N 1 3 319.493 2.430 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CC1CCC1)C1CC1 ZINC001403513290 1162920586 /nfs/dbraw/zinc/92/05/86/1162920586.db2.gz OQPVIMXBILNHDT-ZWKOTPCHSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)C1(C(=O)NC2CC(C[NH2+]Cc3ccccc3)C2)CCC1 ZINC001393898653 1158054241 /nfs/dbraw/zinc/05/42/41/1158054241.db2.gz HLGJFPZUDVRROZ-UHFFFAOYSA-N 1 3 315.461 2.155 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](C)NC(=O)CN(C)C2CCC2)c(C)c1 ZINC001374900027 1158082571 /nfs/dbraw/zinc/08/25/71/1158082571.db2.gz ULFRUJHSFLOCSQ-INIZCTEOSA-N 1 3 317.477 2.382 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]CC1CCC(F)(F)CC1 ZINC001374982501 1158152279 /nfs/dbraw/zinc/15/22/79/1158152279.db2.gz RHIUNPWAFDARHE-ZDUSSCGKSA-N 1 3 319.440 2.246 20 0 DEADHO Cc1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001375162064 1158363161 /nfs/dbraw/zinc/36/31/61/1158363161.db2.gz XKPARYMOXVQISF-MRXNPFEDSA-N 1 3 305.466 2.272 20 0 DEADHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)NC/C=C\Cl)[NH+]1CCCC1 ZINC001394563732 1158636653 /nfs/dbraw/zinc/63/66/53/1158636653.db2.gz BQAXZNSPOIHADQ-AZJURWTESA-N 1 3 315.889 2.296 20 0 DEADHO C[C@@H](CN(C)C(=O)CC[NH+]1CCCCC1)NC/C=C\Cl ZINC001394568945 1158639078 /nfs/dbraw/zinc/63/90/78/1158639078.db2.gz VQABNDZRRYKINX-QPBFKRLHSA-N 1 3 301.862 2.051 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCc2ccccc2)[C@@H]1C ZINC001394673422 1158665922 /nfs/dbraw/zinc/66/59/22/1158665922.db2.gz KSECDFIFCKJCCC-FUHWJXTLSA-N 1 3 317.477 2.148 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2)[C@@H]1C ZINC001394673565 1158666741 /nfs/dbraw/zinc/66/67/41/1158666741.db2.gz LCVDFEGJUGMCMM-DOTOQJQBSA-N 1 3 303.450 2.106 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCC(F)(F)F)C[C@@H]1C ZINC001375737170 1158858174 /nfs/dbraw/zinc/85/81/74/1158858174.db2.gz HSWDYHLIOQCXIN-STQMWFEESA-N 1 3 323.403 2.248 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)N(C)C ZINC001376396240 1159384585 /nfs/dbraw/zinc/38/45/85/1159384585.db2.gz AOFPEKAQCLLMGX-ULQDDVLXSA-N 1 3 309.498 2.390 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2F)C1)N(C)C ZINC001376469094 1159453096 /nfs/dbraw/zinc/45/30/96/1159453096.db2.gz HLNGMZIONPMXAD-VWPFQQQWSA-N 1 3 321.440 2.464 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC1 ZINC001376572631 1159556555 /nfs/dbraw/zinc/55/65/55/1159556555.db2.gz FOFKGUDRCOHDGO-HOTGVXAUSA-N 1 3 313.461 2.047 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1CCCC[N@H+]1CC1CC1 ZINC001376572631 1159556569 /nfs/dbraw/zinc/55/65/69/1159556569.db2.gz FOFKGUDRCOHDGO-HOTGVXAUSA-N 1 3 313.461 2.047 20 0 DEADHO CCC[NH+]1CCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)CC1 ZINC001376629016 1159617735 /nfs/dbraw/zinc/61/77/35/1159617735.db2.gz WYJSOAHNSYGBJH-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001376632328 1159622796 /nfs/dbraw/zinc/62/27/96/1159622796.db2.gz UTQRSRUYRYJLEZ-HOTGVXAUSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001376632328 1159622806 /nfs/dbraw/zinc/62/28/06/1159622806.db2.gz UTQRSRUYRYJLEZ-HOTGVXAUSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001376634387 1159628223 /nfs/dbraw/zinc/62/82/23/1159628223.db2.gz XWFFXOBBNAZKMQ-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001376634387 1159628239 /nfs/dbraw/zinc/62/82/39/1159628239.db2.gz XWFFXOBBNAZKMQ-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO Cc1ccccc1C[NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001376755588 1159770247 /nfs/dbraw/zinc/77/02/47/1159770247.db2.gz YIWIDCUISNNJHS-HNNXBMFYSA-N 1 3 303.450 2.074 20 0 DEADHO Cc1cc(C[NH2+][C@@H](C)CNC(=O)CN2CC[C@H](C)C2)c(C)s1 ZINC001376804229 1159806995 /nfs/dbraw/zinc/80/69/95/1159806995.db2.gz UOMRBSDYZYKFBR-STQMWFEESA-N 1 3 323.506 2.301 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001376918383 1159846024 /nfs/dbraw/zinc/84/60/24/1159846024.db2.gz LTCDEEOSUOJDGQ-INIZCTEOSA-N 1 3 321.440 2.166 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccsc1)N(C)C ZINC001403643010 1163071899 /nfs/dbraw/zinc/07/18/99/1163071899.db2.gz URNIMORCDYENTB-ZFWWWQNUSA-N 1 3 311.495 2.271 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2F)C1)N(C)C ZINC001397101558 1159985256 /nfs/dbraw/zinc/98/52/56/1159985256.db2.gz SXXRANVNJOMGHH-UKPHBRMFSA-N 1 3 321.440 2.150 20 0 DEADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCN(C)Cc2ccccc2)C1 ZINC001403675363 1163085878 /nfs/dbraw/zinc/08/58/78/1163085878.db2.gz ZWONSNXEKPUQRB-SFHVURJKSA-N 1 3 317.477 2.357 20 0 DEADHO CCC[N@H+]1CCC[C@H](C(=O)NCCN(C)Cc2ccccc2)C1 ZINC001403675363 1163085885 /nfs/dbraw/zinc/08/58/85/1163085885.db2.gz ZWONSNXEKPUQRB-SFHVURJKSA-N 1 3 317.477 2.357 20 0 DEADHO CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)CCc1ccccc1 ZINC001377335825 1160230174 /nfs/dbraw/zinc/23/01/74/1160230174.db2.gz JJCDPLFDGRBQGF-KRWDZBQOSA-N 1 3 317.477 2.009 20 0 DEADHO CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)CCc1ccccc1 ZINC001377335825 1160230186 /nfs/dbraw/zinc/23/01/86/1160230186.db2.gz JJCDPLFDGRBQGF-KRWDZBQOSA-N 1 3 317.477 2.009 20 0 DEADHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccccc1F ZINC001377488438 1160419750 /nfs/dbraw/zinc/41/97/50/1160419750.db2.gz LFTUNGXJRIEUKN-CABCVRRESA-N 1 3 321.440 2.152 20 0 DEADHO CCC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)CC1CCCC1 ZINC001377496045 1160430048 /nfs/dbraw/zinc/43/00/48/1160430048.db2.gz JONAMTIRSRVAPK-INIZCTEOSA-N 1 3 309.498 2.347 20 0 DEADHO CCC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)CC1CCCC1 ZINC001377496045 1160430063 /nfs/dbraw/zinc/43/00/63/1160430063.db2.gz JONAMTIRSRVAPK-INIZCTEOSA-N 1 3 309.498 2.347 20 0 DEADHO CC(C)C[N@H+](CCNC(=O)[C@H]1CCCCN1C(C)C)C1CC1 ZINC001377545597 1160532774 /nfs/dbraw/zinc/53/27/74/1160532774.db2.gz FUCIIEAHKFOBAA-QGZVFWFLSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)C[N@@H+](CCNC(=O)[C@H]1CCCCN1C(C)C)C1CC1 ZINC001377545597 1160532781 /nfs/dbraw/zinc/53/27/81/1160532781.db2.gz FUCIIEAHKFOBAA-QGZVFWFLSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@@H](C(=O)NC1CC(C[NH2+]CC2CCCCC2)C1)N(C)C ZINC001377729149 1160793927 /nfs/dbraw/zinc/79/39/27/1160793927.db2.gz UJJLAOKWEZNRBV-JCYILVPMSA-N 1 3 309.498 2.391 20 0 DEADHO CC[C@H](F)CN(C)C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001398467012 1160899763 /nfs/dbraw/zinc/89/97/63/1160899763.db2.gz DAHYDGULXQIOOS-CVEARBPZSA-N 1 3 315.477 2.247 20 0 DEADHO CC(C)CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001398488966 1160917597 /nfs/dbraw/zinc/91/75/97/1160917597.db2.gz GHEVGYYXXCGNFL-CALCHBBNSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)NCc1nccs1 ZINC001399322241 1161346693 /nfs/dbraw/zinc/34/66/93/1161346693.db2.gz UNOINIUPMJOWPB-KGLIPLIRSA-N 1 3 324.494 2.000 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)NCc1nccs1 ZINC001399322241 1161346701 /nfs/dbraw/zinc/34/67/01/1161346701.db2.gz UNOINIUPMJOWPB-KGLIPLIRSA-N 1 3 324.494 2.000 20 0 DEADHO Cc1cccc(C[NH2+][C@@H](C)CCNC(=O)CN2CC[C@H](C)C2)c1 ZINC001399385443 1161373007 /nfs/dbraw/zinc/37/30/07/1161373007.db2.gz FHHDBUQDZKGIRF-IRXDYDNUSA-N 1 3 317.477 2.321 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccsc1)N(C)C ZINC001399419450 1161385622 /nfs/dbraw/zinc/38/56/22/1161385622.db2.gz OMRQEBWSZHXPNP-UKRRQHHQSA-N 1 3 311.495 2.319 20 0 DEADHO C[C@H]1CC[N@H+](CC(=O)NCCN(C)C/C=C/c2ccccc2)C1 ZINC001399576011 1161463552 /nfs/dbraw/zinc/46/35/52/1161463552.db2.gz GCPOKNDHGSDBPD-NADMHLTPSA-N 1 3 315.461 2.090 20 0 DEADHO C[C@H]1CC[N@@H+](CC(=O)NCCN(C)C/C=C/c2ccccc2)C1 ZINC001399576011 1161463556 /nfs/dbraw/zinc/46/35/56/1161463556.db2.gz GCPOKNDHGSDBPD-NADMHLTPSA-N 1 3 315.461 2.090 20 0 DEADHO CC[C@@H](C)C[N@H+](CCNC(=O)[C@H]1CCCCN1CC)C1CC1 ZINC001400053441 1161642596 /nfs/dbraw/zinc/64/25/96/1161642596.db2.gz JQBPUEQSRMQIGG-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C)C[N@@H+](CCNC(=O)[C@H]1CCCCN1CC)C1CC1 ZINC001400053441 1161642599 /nfs/dbraw/zinc/64/25/99/1161642599.db2.gz JQBPUEQSRMQIGG-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+][C@@H](C)c1ccccc1 ZINC001401146239 1161882343 /nfs/dbraw/zinc/88/23/43/1161882343.db2.gz FUCHXVYMRCNCCJ-KGLIPLIRSA-N 1 3 314.433 2.364 20 0 DEADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1csc(C)c1 ZINC001401262992 1161908739 /nfs/dbraw/zinc/90/87/39/1161908739.db2.gz SSIAJQXAYYQFBL-ZDUSSCGKSA-N 1 3 311.495 2.335 20 0 DEADHO CN(C)C1(C(=O)N(C)CC[N@H+](C)Cc2ccccc2)CCC1 ZINC001401367062 1161954569 /nfs/dbraw/zinc/95/45/69/1161954569.db2.gz GLWZGGJZCHWVDK-UHFFFAOYSA-N 1 3 303.450 2.061 20 0 DEADHO CN(C)C1(C(=O)N(C)CC[N@@H+](C)Cc2ccccc2)CCC1 ZINC001401367062 1161954572 /nfs/dbraw/zinc/95/45/72/1161954572.db2.gz GLWZGGJZCHWVDK-UHFFFAOYSA-N 1 3 303.450 2.061 20 0 DEADHO C[C@H](CNCc1cc2ccccc2o1)NC(=O)CCC[NH+](C)C ZINC001401647143 1162058050 /nfs/dbraw/zinc/05/80/50/1162058050.db2.gz IVEPKQDFVANJFP-CQSZACIVSA-N 1 3 317.433 2.369 20 0 DEADHO Cc1ccc(C)c(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001401689243 1162076563 /nfs/dbraw/zinc/07/65/63/1162076563.db2.gz XYYIVGUPNIFMSL-SJLPKXTDSA-N 1 3 319.493 2.484 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C)c(C)c1)N(C)C ZINC001401692730 1162078201 /nfs/dbraw/zinc/07/82/01/1162078201.db2.gz HVEUTLQJXDNEJM-DOTOQJQBSA-N 1 3 305.466 2.238 20 0 DEADHO C[C@@H](C[NH2+]Cc1cccc(F)c1)NC(=O)CN(C)CC(C)(C)C ZINC001401710444 1162086921 /nfs/dbraw/zinc/08/69/21/1162086921.db2.gz YOMAWJVDRQSMIC-AWEZNQCLSA-N 1 3 323.456 2.398 20 0 DEADHO CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001402206234 1162286864 /nfs/dbraw/zinc/28/68/64/1162286864.db2.gz FXRNFOHUYHHMGO-FUHWJXTLSA-N 1 3 309.498 2.489 20 0 DEADHO CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001402206234 1162286866 /nfs/dbraw/zinc/28/68/66/1162286866.db2.gz FXRNFOHUYHHMGO-FUHWJXTLSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@H+](C)Cc1ccc2c(c1)CCC2 ZINC001403782732 1163179323 /nfs/dbraw/zinc/17/93/23/1163179323.db2.gz BYINXZMAAGYPCG-UHFFFAOYSA-N 1 3 317.477 2.064 20 0 DEADHO CC(C)N(C)CC(=O)NCC[N@@H+](C)Cc1ccc2c(c1)CCC2 ZINC001403782732 1163179332 /nfs/dbraw/zinc/17/93/32/1163179332.db2.gz BYINXZMAAGYPCG-UHFFFAOYSA-N 1 3 317.477 2.064 20 0 DEADHO CN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)C/C=C\Cl)C1 ZINC001404575424 1163717215 /nfs/dbraw/zinc/71/72/15/1163717215.db2.gz JDBCFRUABXVWBS-DNWYELSFSA-N 1 3 313.873 2.004 20 0 DEADHO CN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)C/C=C\Cl)C1 ZINC001404575424 1163717218 /nfs/dbraw/zinc/71/72/18/1163717218.db2.gz JDBCFRUABXVWBS-DNWYELSFSA-N 1 3 313.873 2.004 20 0 DEADHO C[NH+](C)CC1(C(=O)N2C[C@@H]3C[C@H]2CN3CCC(C)(C)C)CC1 ZINC001404968392 1163875452 /nfs/dbraw/zinc/87/54/52/1163875452.db2.gz PHAFTGPQVDLAQU-GJZGRUSLSA-N 1 3 307.482 2.050 20 0 DEADHO CC[C@H](C)C[NH2+]C[C@@](C)(NC(=O)Cc1nc[nH]c1C)C1CC1 ZINC001405466165 1164105645 /nfs/dbraw/zinc/10/56/45/1164105645.db2.gz MWBMHGFDDJEINI-YVEFUNNKSA-N 1 3 306.454 2.181 20 0 DEADHO CC(C)[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccsc1 ZINC001406045490 1164406426 /nfs/dbraw/zinc/40/64/26/1164406426.db2.gz MZBITQLVNPXZJU-GDBMZVCRSA-N 1 3 323.506 2.320 20 0 DEADHO CCCN(C)CC(=O)N(CC)CC[NH2+][C@H]1CCc2ccccc21 ZINC001406334907 1164538762 /nfs/dbraw/zinc/53/87/62/1164538762.db2.gz CMMKWNUKBVZXEB-SFHVURJKSA-N 1 3 317.477 2.454 20 0 DEADHO C[C@@H](NC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)c1ccccc1F ZINC001406514581 1164649655 /nfs/dbraw/zinc/64/96/55/1164649655.db2.gz DGVKGXMSKXDFNB-UONOGXRCSA-N 1 3 321.440 2.323 20 0 DEADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1cccc(C)c1 ZINC001492957285 1164885493 /nfs/dbraw/zinc/88/54/93/1164885493.db2.gz UCLAZNREKDMENQ-SJLPKXTDSA-N 1 3 317.477 2.273 20 0 DEADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1cccc(C)c1 ZINC001492957285 1164885495 /nfs/dbraw/zinc/88/54/95/1164885495.db2.gz UCLAZNREKDMENQ-SJLPKXTDSA-N 1 3 317.477 2.273 20 0 DEADHO CC(C)[C@H](C(=O)NCC1(NCCF)CCC1)[NH+]1CCCCC1 ZINC001407820047 1165329358 /nfs/dbraw/zinc/32/93/58/1165329358.db2.gz JRHJGLGKXAPCIQ-OAHLLOKOSA-N 1 3 313.461 2.095 20 0 DEADHO CCC(CC)C[N@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001408358768 1165613004 /nfs/dbraw/zinc/61/30/04/1165613004.db2.gz XSYQUGWZTIHJSI-MRXNPFEDSA-N 1 3 306.454 2.311 20 0 DEADHO Brc1ccsc1CNC[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001574448437 1166259036 /nfs/dbraw/zinc/25/90/36/1166259036.db2.gz QUKAOXDQXUWRCI-VIFPVBQESA-N 1 3 317.252 2.121 20 0 DEADHO CC(C)C[NH2+][C@H](CNC(=O)[C@@H](C)N1CCCCCC1)C1CC1 ZINC001417996786 1167352829 /nfs/dbraw/zinc/35/28/29/1167352829.db2.gz DRYCANULQHYKBQ-NVXWUHKLSA-N 1 3 309.498 2.391 20 0 DEADHO CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](F)CN(CC)CC ZINC001418151460 1167441554 /nfs/dbraw/zinc/44/15/54/1167441554.db2.gz UZDGGSQDNBGOSO-CABCVRRESA-N 1 3 301.450 2.047 20 0 DEADHO CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](F)CN(CC)CC ZINC001418151460 1167441556 /nfs/dbraw/zinc/44/15/56/1167441556.db2.gz UZDGGSQDNBGOSO-CABCVRRESA-N 1 3 301.450 2.047 20 0 DEADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CC1CC(F)(F)C1 ZINC001418276045 1167540313 /nfs/dbraw/zinc/54/03/13/1167540313.db2.gz PDGYLJNXIUFFPH-LBPRGKRZSA-N 1 3 319.440 2.104 20 0 DEADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1cccc(F)c1)N(C)C ZINC001418428087 1167647530 /nfs/dbraw/zinc/64/75/30/1167647530.db2.gz UVPBEMACJQROEC-BBRMVZONSA-N 1 3 309.429 2.150 20 0 DEADHO C[C@H](c1ccc(F)cc1)N(C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001418493096 1167709716 /nfs/dbraw/zinc/70/97/16/1167709716.db2.gz FZWWHOHGFFYYLA-HUUCEWRRSA-N 1 3 321.440 2.277 20 0 DEADHO C[C@H](c1ccc(F)cc1)N(C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001418493096 1167709728 /nfs/dbraw/zinc/70/97/28/1167709728.db2.gz FZWWHOHGFFYYLA-HUUCEWRRSA-N 1 3 321.440 2.277 20 0 DEADHO Cc1cccc(C)c1CN(C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001418494136 1167713585 /nfs/dbraw/zinc/71/35/85/1167713585.db2.gz LURKHEVRHZECET-UHFFFAOYSA-N 1 3 317.477 2.193 20 0 DEADHO C[C@@H](c1ccccc1)N(C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001418512482 1167741924 /nfs/dbraw/zinc/74/19/24/1167741924.db2.gz OFOIRSUJFXCEEK-HOTGVXAUSA-N 1 3 303.450 2.137 20 0 DEADHO C[C@@H](c1ccccc1)N(C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001418512482 1167741935 /nfs/dbraw/zinc/74/19/35/1167741935.db2.gz OFOIRSUJFXCEEK-HOTGVXAUSA-N 1 3 303.450 2.137 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001418707690 1167899906 /nfs/dbraw/zinc/89/99/06/1167899906.db2.gz LIBXWFKGRALYCH-UYTYNIKBSA-N 1 3 321.509 2.247 20 0 DEADHO C[NH+](C)CC1(C(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCC2)CC1 ZINC001419052502 1168160774 /nfs/dbraw/zinc/16/07/74/1168160774.db2.gz BRDBLDUEWMGIMG-IRXDYDNUSA-N 1 3 319.493 2.194 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C ZINC001419892569 1168894706 /nfs/dbraw/zinc/89/47/06/1168894706.db2.gz LBBVMAFYOIBELW-DYVFJYSZSA-N 1 3 316.449 2.102 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001420030513 1169082130 /nfs/dbraw/zinc/08/21/30/1169082130.db2.gz ZMHWBYYFJHJQEY-QWHCGFSZSA-N 1 3 323.403 2.296 20 0 DEADHO CN(C)C1(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CC2CCC2)CCC1 ZINC001420087083 1169152870 /nfs/dbraw/zinc/15/28/70/1169152870.db2.gz MADJWQGCAPJVPW-CVEARBPZSA-N 1 3 307.482 2.145 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CCNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001420133518 1169185341 /nfs/dbraw/zinc/18/53/41/1169185341.db2.gz RGLWWOANFYCOMC-IAGOWNOFSA-N 1 3 317.477 2.321 20 0 DEADHO CC[C@@H](c1ccc(F)cc1)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001420347884 1169384649 /nfs/dbraw/zinc/38/46/49/1169384649.db2.gz TUHGWASRUSBCEB-WBVHZDCISA-N 1 3 321.440 2.277 20 0 DEADHO CC[C@@H](c1ccc(F)cc1)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001420347884 1169384654 /nfs/dbraw/zinc/38/46/54/1169384654.db2.gz TUHGWASRUSBCEB-WBVHZDCISA-N 1 3 321.440 2.277 20 0 DEADHO Cc1ccc(CN(C)C[C@H](C)NC(=O)CCC[NH+](C)C)cc1F ZINC001420614411 1169829546 /nfs/dbraw/zinc/82/95/46/1169829546.db2.gz QBUMSAHJLWWZKC-HNNXBMFYSA-N 1 3 323.456 2.412 20 0 DEADHO Cc1ccc(F)cc1CN(C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001420656163 1169855357 /nfs/dbraw/zinc/85/53/57/1169855357.db2.gz DGKICMWCCPXMOX-GJZGRUSLSA-N 1 3 321.440 2.022 20 0 DEADHO Cc1ccc(F)cc1CN(C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001420656163 1169855359 /nfs/dbraw/zinc/85/53/59/1169855359.db2.gz DGKICMWCCPXMOX-GJZGRUSLSA-N 1 3 321.440 2.022 20 0 DEADHO CC[NH2+][C@H](CNC(=O)[C@H]1CCCN1C(C)C)c1ccccc1 ZINC001420758728 1171119128 /nfs/dbraw/zinc/11/91/28/1171119128.db2.gz FOXNGFBGXRXRKV-IAGOWNOFSA-N 1 3 303.450 2.326 20 0 DEADHO CC(C)C[C@@H](C)CN1CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001420874147 1171308933 /nfs/dbraw/zinc/30/89/33/1171308933.db2.gz SISSXIXBFQBKOK-SJORKVTESA-N 1 3 321.509 2.488 20 0 DEADHO CCC(CC)C[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001420953062 1171376673 /nfs/dbraw/zinc/37/66/73/1171376673.db2.gz PUDTVZHMMGLDPB-KRWDZBQOSA-N 1 3 309.498 2.299 20 0 DEADHO CCC(CC)C[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001420953062 1171376681 /nfs/dbraw/zinc/37/66/81/1171376681.db2.gz PUDTVZHMMGLDPB-KRWDZBQOSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2)C[C@H]1C ZINC001421102891 1171495046 /nfs/dbraw/zinc/49/50/46/1171495046.db2.gz KFIIKGCVPZNFMQ-AEFFLSMTSA-N 1 3 317.477 2.498 20 0 DEADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(C)cc1 ZINC001421425639 1171791979 /nfs/dbraw/zinc/79/19/79/1171791979.db2.gz PSSUADYJSFLNDU-QGZVFWFLSA-N 1 3 317.477 2.464 20 0 DEADHO C[C@@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)Cc1c[nH]cn1 ZINC001421896005 1172099973 /nfs/dbraw/zinc/09/99/73/1172099973.db2.gz ZSABNRVAYCIXIO-HNNXBMFYSA-N 1 3 314.433 2.494 20 0 DEADHO C[C@@H](c1ccccc1)[N@@H+](C)CCCN(C)C(=O)Cc1c[nH]cn1 ZINC001421896005 1172099984 /nfs/dbraw/zinc/09/99/84/1172099984.db2.gz ZSABNRVAYCIXIO-HNNXBMFYSA-N 1 3 314.433 2.494 20 0 DEADHO CCCCN1Cc2ccccc2C[C@@H]1CNC(=O)CC[NH+](C)C ZINC001421956179 1172179790 /nfs/dbraw/zinc/17/97/90/1172179790.db2.gz XGQRCWPSAIPGFV-GOSISDBHSA-N 1 3 317.477 2.281 20 0 DEADHO CCCN1Cc2ccc(CNC(=O)C[C@@H]3CC[N@H+](C)C3)cc2C1 ZINC001422010145 1172227789 /nfs/dbraw/zinc/22/77/89/1172227789.db2.gz LHNBFCADLHXCLC-INIZCTEOSA-N 1 3 315.461 2.370 20 0 DEADHO CCCN1Cc2ccc(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)cc2C1 ZINC001422010145 1172227797 /nfs/dbraw/zinc/22/77/97/1172227797.db2.gz LHNBFCADLHXCLC-INIZCTEOSA-N 1 3 315.461 2.370 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC(C)([NH2+]CCC3CC3)CC2)C1 ZINC001422058983 1172261930 /nfs/dbraw/zinc/26/19/30/1172261930.db2.gz VJHNHFTVOZJJDQ-HNNXBMFYSA-N 1 3 307.482 2.099 20 0 DEADHO CN(C(=O)[C@@H]1CCCN1C)C1CCC([NH2+]C/C=C\Cl)CC1 ZINC001422420002 1172572664 /nfs/dbraw/zinc/57/26/64/1172572664.db2.gz JOFYRQKOWNLPCE-ITTGMCHVSA-N 1 3 313.873 2.192 20 0 DEADHO c1cn2c(cccc2CNC2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC001422657926 1172796015 /nfs/dbraw/zinc/79/60/15/1172796015.db2.gz ZOUAMVMUVVFQFM-KRWDZBQOSA-N 1 3 314.433 2.067 20 0 DEADHO Cc1ccccc1C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001422675238 1172804740 /nfs/dbraw/zinc/80/47/40/1172804740.db2.gz RJBSYDJRFZKIMF-RDJZCZTQSA-N 1 3 305.466 2.176 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C)C1CN(Cc2ccccc2)C1)[NH+](C)C ZINC001422754896 1172844056 /nfs/dbraw/zinc/84/40/56/1172844056.db2.gz KVWYJYXUCUQRIF-CRAIPNDOSA-N 1 3 317.477 2.209 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)C1CN(Cc2ccccc2)C1)[NH+](C)C ZINC001422754906 1172844231 /nfs/dbraw/zinc/84/42/31/1172844231.db2.gz KVWYJYXUCUQRIF-QAPCUYQASA-N 1 3 317.477 2.209 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CN(CCCF)CC1(C)C)[NH+](CC)CC ZINC001422785721 1172861429 /nfs/dbraw/zinc/86/14/29/1172861429.db2.gz LHGCEPFCNJBOHH-CABCVRRESA-N 1 3 315.477 2.293 20 0 DEADHO CN1C[C@@H]2CC[C@H]([NH2+]C3CCN(C(=O)CC(C)(C)C)CC3)[C@@H]2C1 ZINC001422972428 1172987618 /nfs/dbraw/zinc/98/76/18/1172987618.db2.gz MHLCDCSFUWAOPC-UAGQMJEPSA-N 1 3 321.509 2.343 20 0 DEADHO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)o1 ZINC001422972503 1172987786 /nfs/dbraw/zinc/98/77/86/1172987786.db2.gz NMWRUWHNCFYVMD-VHDGCEQUSA-N 1 3 300.406 2.408 20 0 DEADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCc1ccsc1 ZINC001423123734 1173094931 /nfs/dbraw/zinc/09/49/31/1173094931.db2.gz NTKYSHJGFHXVLJ-DZKIICNBSA-N 1 3 323.506 2.415 20 0 DEADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCc1ccsc1 ZINC001423123734 1173094936 /nfs/dbraw/zinc/09/49/36/1173094936.db2.gz NTKYSHJGFHXVLJ-DZKIICNBSA-N 1 3 323.506 2.415 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CCC(F)(F)F)CCN1C(=O)CN1CCCC1 ZINC001423451646 1173357054 /nfs/dbraw/zinc/35/70/54/1173357054.db2.gz LJQFJUGDRPAWEG-OLZOCXBDSA-N 1 3 321.387 2.004 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC2CCC2)C1 ZINC001423647324 1173465265 /nfs/dbraw/zinc/46/52/65/1173465265.db2.gz GCBSRGSMQJBMMZ-MJGOQNOKSA-N 1 3 321.509 2.489 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CN(C)C(C)C)c(C)n1 ZINC001424858170 1173993803 /nfs/dbraw/zinc/99/38/03/1173993803.db2.gz PDJDEQQQIYVHIP-GJZGRUSLSA-N 1 3 320.481 2.021 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1CCC(N(C)C/C=C\Cl)CC1 ZINC001425431603 1174317765 /nfs/dbraw/zinc/31/77/65/1174317765.db2.gz AHECBSNNYRZRAA-UITAMQMPSA-N 1 3 315.889 2.394 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1CCC(N(C)C/C=C\Cl)CC1 ZINC001425431603 1174317773 /nfs/dbraw/zinc/31/77/73/1174317773.db2.gz AHECBSNNYRZRAA-UITAMQMPSA-N 1 3 315.889 2.394 20 0 DEADHO CC[C@@H](C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001425497333 1174340038 /nfs/dbraw/zinc/34/00/38/1174340038.db2.gz WVRDDJICCZQEMV-ZBFHGGJFSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001425603484 1174396341 /nfs/dbraw/zinc/39/63/41/1174396341.db2.gz XSNSWLJPNWMVBP-XJKSGUPXSA-N 1 3 309.429 2.102 20 0 DEADHO Cc1ccc(C)c(C[NH2+][C@H](C)CN(C)C(=O)Cc2c[nH]cn2)c1 ZINC001425640560 1174426496 /nfs/dbraw/zinc/42/64/96/1174426496.db2.gz QEETURFREFNCMH-OAHLLOKOSA-N 1 3 314.433 2.206 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)C1CC[NH+](CC2CCC2)CC1 ZINC001426208646 1174647955 /nfs/dbraw/zinc/64/79/55/1174647955.db2.gz CYKHDVIKKXYHLP-HNNXBMFYSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](F)CN1CCC(C2(NC(=O)CC[NH+](C)C)CC2)CC1 ZINC001426265343 1174674156 /nfs/dbraw/zinc/67/41/56/1174674156.db2.gz REQSQWQTSNYKCB-OAHLLOKOSA-N 1 3 313.461 2.047 20 0 DEADHO CN1C[C@@H](NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001434380382 1178427184 /nfs/dbraw/zinc/42/71/84/1178427184.db2.gz JTJFJQVOODLNCP-JKSUJKDBSA-N 1 3 303.450 2.136 20 0 DEADHO CC[NH+]1CCC(CN(CCOC)Cc2c(C)nn(C)c2C)CC1 ZINC001434529759 1178781399 /nfs/dbraw/zinc/78/13/99/1178781399.db2.gz VXOIYTCPWVRZHE-UHFFFAOYSA-N 1 3 322.497 2.217 20 0 DEADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001436365471 1179064542 /nfs/dbraw/zinc/06/45/42/1179064542.db2.gz MLNGJLFLYBEABU-WOVMCDHWSA-N 1 3 321.509 2.393 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC2)C1 ZINC001436368179 1179065307 /nfs/dbraw/zinc/06/53/07/1179065307.db2.gz PHYHUHUMMXVKRV-SRABZTEZSA-N 1 3 307.482 2.144 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC=C(Cl)Cl)C1)N(C)C ZINC001436394417 1179078798 /nfs/dbraw/zinc/07/87/98/1179078798.db2.gz DFUDUBZTFSBWNP-SRVKXCTJSA-N 1 3 322.280 2.130 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@H+](C)CC2CC(C)C2)C1 ZINC001437348135 1179747611 /nfs/dbraw/zinc/74/76/11/1179747611.db2.gz LADMNTYFGIZJMR-OFLPRAFFSA-N 1 3 309.498 2.297 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CC(C)C2)C1 ZINC001437348135 1179747623 /nfs/dbraw/zinc/74/76/23/1179747623.db2.gz LADMNTYFGIZJMR-OFLPRAFFSA-N 1 3 309.498 2.297 20 0 DEADHO CCC[N@H+](CCNC(=O)c1cccc(CN(C)C)c1)C1CC1 ZINC001437816242 1180011150 /nfs/dbraw/zinc/01/11/50/1180011150.db2.gz XKWIWPGUOMQQJB-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO CCC[N@@H+](CCNC(=O)c1cccc(CN(C)C)c1)C1CC1 ZINC001437816242 1180011157 /nfs/dbraw/zinc/01/11/57/1180011157.db2.gz XKWIWPGUOMQQJB-UHFFFAOYSA-N 1 3 303.450 2.352 20 0 DEADHO CN(CC[NH2+][C@@H]1CCCc2ccccc21)C(=O)[C@@H]1CCCN1C ZINC001437828100 1180017891 /nfs/dbraw/zinc/01/78/91/1180017891.db2.gz LKNABGMNGHHYQK-MSOLQXFVSA-N 1 3 315.461 2.206 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@H](C)[NH2+]CC[C@H](C)F)CC1 ZINC001437849390 1180028274 /nfs/dbraw/zinc/02/82/74/1180028274.db2.gz CMEIWZZNFKNFBI-GJZGRUSLSA-N 1 3 315.477 2.293 20 0 DEADHO C[C@@H](F)CC[N@@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001437919675 1180079067 /nfs/dbraw/zinc/07/90/67/1180079067.db2.gz CKRPPMWLXYUXDF-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@@H](F)CC[N@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001437919675 1180079075 /nfs/dbraw/zinc/07/90/75/1180079075.db2.gz CKRPPMWLXYUXDF-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+](CC2CC(C)C2)C1)N(C)C ZINC001438029541 1180164950 /nfs/dbraw/zinc/16/49/50/1180164950.db2.gz GZIZHCURNGOCIM-SJJHQCBESA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CCC[N@@H+](CC2CC(C)C2)C1)N(C)C ZINC001438029541 1180164964 /nfs/dbraw/zinc/16/49/64/1180164964.db2.gz GZIZHCURNGOCIM-SJJHQCBESA-N 1 3 309.498 2.199 20 0 DEADHO CC[N@H+](C)CCC(=O)NCC1CN([C@H](C)c2cccc(C)c2)C1 ZINC001438145706 1180215779 /nfs/dbraw/zinc/21/57/79/1180215779.db2.gz LTXMQZIIIURGSK-MRXNPFEDSA-N 1 3 317.477 2.446 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCC1CN([C@H](C)c2cccc(C)c2)C1 ZINC001438145706 1180215782 /nfs/dbraw/zinc/21/57/82/1180215782.db2.gz LTXMQZIIIURGSK-MRXNPFEDSA-N 1 3 317.477 2.446 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001438193859 1180232220 /nfs/dbraw/zinc/23/22/20/1180232220.db2.gz HAEYNBPAFQKNDB-KRWDZBQOSA-N 1 3 303.450 2.027 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001438193859 1180232223 /nfs/dbraw/zinc/23/22/23/1180232223.db2.gz HAEYNBPAFQKNDB-KRWDZBQOSA-N 1 3 303.450 2.027 20 0 DEADHO CCC[NH+]1CCC(CCNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001438451749 1180445719 /nfs/dbraw/zinc/44/57/19/1180445719.db2.gz HMYYOCXPRSQKPN-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]CC1CC(C)(C)C1 ZINC001438526389 1180550753 /nfs/dbraw/zinc/55/07/53/1180550753.db2.gz CQQSWVCWDWWVIE-CABCVRRESA-N 1 3 309.498 2.106 20 0 DEADHO C[C@H](C[NH2+]Cc1cccc(Cl)c1)NC(=O)CN(C)C1CCC1 ZINC001439119263 1180889107 /nfs/dbraw/zinc/88/91/07/1180889107.db2.gz KHDYDFLTSQLWHM-CYBMUJFWSA-N 1 3 323.868 2.419 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H](C)CNCc1cc2ccccc2o1 ZINC001439163200 1180905860 /nfs/dbraw/zinc/90/58/60/1180905860.db2.gz GXFAKKPBFFRUGF-CQSZACIVSA-N 1 3 317.433 2.369 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CNCc1cc2ccccc2o1 ZINC001439163200 1180905864 /nfs/dbraw/zinc/90/58/64/1180905864.db2.gz GXFAKKPBFFRUGF-CQSZACIVSA-N 1 3 317.433 2.369 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CN(CC)CCC1(F)F)[NH+](CC)CC ZINC001439964675 1181328410 /nfs/dbraw/zinc/32/84/10/1181328410.db2.gz BQBDCCHROHDLAZ-KBPBESRZSA-N 1 3 319.440 2.200 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CCC[N@H+](C)Cc1cccc(F)c1 ZINC001440485409 1181551255 /nfs/dbraw/zinc/55/12/55/1181551255.db2.gz VWDSIUHAVDGRND-UHFFFAOYSA-N 1 3 323.456 2.446 20 0 DEADHO CC(C)N(C)CC(=O)N(C)CCC[N@@H+](C)Cc1cccc(F)c1 ZINC001440485409 1181551258 /nfs/dbraw/zinc/55/12/58/1181551258.db2.gz VWDSIUHAVDGRND-UHFFFAOYSA-N 1 3 323.456 2.446 20 0 DEADHO CC[C@H](C)C[NH2+]C1(CC)CCN(C(=O)CN2CCCC2)CC1 ZINC001440540992 1181588935 /nfs/dbraw/zinc/58/89/35/1181588935.db2.gz WLCAUDAXWIWJLW-INIZCTEOSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]Cc1ccccc1F ZINC001440801180 1181699383 /nfs/dbraw/zinc/69/93/83/1181699383.db2.gz SHLHSYXUBFTHIZ-KBPBESRZSA-N 1 3 321.440 2.293 20 0 DEADHO C[C@H](CNC(=O)CCC[NH+](C)C)N(C)Cc1ccc(F)cc1 ZINC001440956702 1181797247 /nfs/dbraw/zinc/79/72/47/1181797247.db2.gz FAFISXOGWRDOGY-CQSZACIVSA-N 1 3 309.429 2.104 20 0 DEADHO Cc1ccccc1C[N@@H+](C)[C@@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001440969634 1181804642 /nfs/dbraw/zinc/80/46/42/1181804642.db2.gz MKQMRNHWCDEODQ-RDJZCZTQSA-N 1 3 317.477 2.273 20 0 DEADHO Cc1ccccc1C[N@H+](C)[C@@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001440969634 1181804644 /nfs/dbraw/zinc/80/46/44/1181804644.db2.gz MKQMRNHWCDEODQ-RDJZCZTQSA-N 1 3 317.477 2.273 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccsc1)C1CC1)N(C)C ZINC001441222126 1181900801 /nfs/dbraw/zinc/90/08/01/1181900801.db2.gz ANINBFZVAVPXKA-HZPDHXFCSA-N 1 3 323.506 2.319 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCC(C)C)C[C@H]21)N(C)C ZINC001441298970 1181937191 /nfs/dbraw/zinc/93/71/91/1181937191.db2.gz AMYSFETUHVZKNE-WCXIOVBPSA-N 1 3 309.498 2.057 20 0 DEADHO CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CCCC(C)C)C[C@H]21)N(C)C ZINC001441298970 1181937195 /nfs/dbraw/zinc/93/71/95/1181937195.db2.gz AMYSFETUHVZKNE-WCXIOVBPSA-N 1 3 309.498 2.057 20 0 DEADHO C[C@@H](F)CC[N@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001441382719 1181967066 /nfs/dbraw/zinc/96/70/66/1181967066.db2.gz JGXIGMAXEBUQCH-CQSZACIVSA-N 1 3 313.461 2.142 20 0 DEADHO C[C@@H](F)CC[N@@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001441382719 1181967070 /nfs/dbraw/zinc/96/70/70/1181967070.db2.gz JGXIGMAXEBUQCH-CQSZACIVSA-N 1 3 313.461 2.142 20 0 DEADHO CC[C@@H](C)C[N@H+](C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001441386823 1181969795 /nfs/dbraw/zinc/96/97/95/1181969795.db2.gz NJBLHFLZYOLALO-CVEARBPZSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](C)C[N@@H+](C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001441386823 1181969804 /nfs/dbraw/zinc/96/98/04/1181969804.db2.gz NJBLHFLZYOLALO-CVEARBPZSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@H](C)C1 ZINC001441717154 1182136041 /nfs/dbraw/zinc/13/60/41/1182136041.db2.gz OLLDDCJNCBUIQA-HTBDUDNFSA-N 1 3 321.509 2.057 20 0 DEADHO CC(C)C[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@H](C)C1 ZINC001441717154 1182136045 /nfs/dbraw/zinc/13/60/45/1182136045.db2.gz OLLDDCJNCBUIQA-HTBDUDNFSA-N 1 3 321.509 2.057 20 0 DEADHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCc1ccsc1 ZINC001441852258 1182215714 /nfs/dbraw/zinc/21/57/14/1182215714.db2.gz ADVRZZQQZGHZJB-DZGCQCFKSA-N 1 3 309.479 2.217 20 0 DEADHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCc1ccsc1 ZINC001441852258 1182215718 /nfs/dbraw/zinc/21/57/18/1182215718.db2.gz ADVRZZQQZGHZJB-DZGCQCFKSA-N 1 3 309.479 2.217 20 0 DEADHO CCc1cccc(C[NH2+][C@@H](C)CNC(=O)CN2CC[C@H](C)C2)c1 ZINC001441942372 1182261142 /nfs/dbraw/zinc/26/11/42/1182261142.db2.gz BZGODBQARZRYKW-HOTGVXAUSA-N 1 3 317.477 2.185 20 0 DEADHO C[NH+](C)CCCC(=O)N1CC[C@@H](CNC/C(Cl)=C/Cl)C1 ZINC001442142284 1182343748 /nfs/dbraw/zinc/34/37/48/1182343748.db2.gz LUKNXWBXOZPVAV-OEMOTLHWSA-N 1 3 322.280 2.085 20 0 DEADHO CC[N@H+](C)CCC(=O)NCCN(C)Cc1ccc(C)c(C)c1 ZINC001442569956 1182544098 /nfs/dbraw/zinc/54/40/98/1182544098.db2.gz OZEFCXHGOLCYNU-UHFFFAOYSA-N 1 3 305.466 2.193 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCCN(C)Cc1ccc(C)c(C)c1 ZINC001442569956 1182544105 /nfs/dbraw/zinc/54/41/05/1182544105.db2.gz OZEFCXHGOLCYNU-UHFFFAOYSA-N 1 3 305.466 2.193 20 0 DEADHO Cc1cc(C)cc(CN(C)CCNC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001442570253 1182544558 /nfs/dbraw/zinc/54/45/58/1182544558.db2.gz AOSYYYBPKTVHIK-QGZVFWFLSA-N 1 3 317.477 2.193 20 0 DEADHO Cc1cc(C)cc(CN(C)CCNC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001442570253 1182544573 /nfs/dbraw/zinc/54/45/73/1182544573.db2.gz AOSYYYBPKTVHIK-QGZVFWFLSA-N 1 3 317.477 2.193 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](CC)[C@H]1CCc2ccccc21)N(C)C ZINC001442725880 1182669193 /nfs/dbraw/zinc/66/91/93/1182669193.db2.gz NABNENRYRVITST-ROUUACIJSA-N 1 3 317.477 2.452 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](CC)[C@H]1CCc2ccccc21)N(C)C ZINC001442725880 1182669197 /nfs/dbraw/zinc/66/91/97/1182669197.db2.gz NABNENRYRVITST-ROUUACIJSA-N 1 3 317.477 2.452 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CCC1CC1)N1CCCC1 ZINC001442838445 1182736283 /nfs/dbraw/zinc/73/62/83/1182736283.db2.gz CKAFMSPQRGEIDU-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+]1CCC1CC1)N1CCCC1 ZINC001442838445 1182736294 /nfs/dbraw/zinc/73/62/94/1182736294.db2.gz CKAFMSPQRGEIDU-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC(C[N@H+](C)CCC2CC2)CC1 ZINC001443372240 1182958239 /nfs/dbraw/zinc/95/82/39/1182958239.db2.gz QQZFCKRZTRZZHG-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC(C[N@@H+](C)CCC2CC2)CC1 ZINC001443372240 1182958249 /nfs/dbraw/zinc/95/82/49/1182958249.db2.gz QQZFCKRZTRZZHG-UHFFFAOYSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CC[C@@H](C)F ZINC001443966328 1183228391 /nfs/dbraw/zinc/22/83/91/1183228391.db2.gz NUGJAMWJXKVQMW-KGLIPLIRSA-N 1 3 301.450 2.093 20 0 DEADHO C[C@@H](CN(C)Cc1ccc(F)cc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001445760293 1184035342 /nfs/dbraw/zinc/03/53/42/1184035342.db2.gz WBQOGCBQPJFYFC-JJRVBVJISA-N 1 3 321.440 2.102 20 0 DEADHO C[C@@H](CN(C)Cc1ccc(F)cc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001445760293 1184035348 /nfs/dbraw/zinc/03/53/48/1184035348.db2.gz WBQOGCBQPJFYFC-JJRVBVJISA-N 1 3 321.440 2.102 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1(C)CC[NH+](CCC(C)C)CC1 ZINC001446482550 1184368814 /nfs/dbraw/zinc/36/88/14/1184368814.db2.gz PLJSWVBMHDWOIQ-UHFFFAOYSA-N 1 3 306.454 2.277 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C[NH2+]CC1CC1)C1CCCC1)N(C)C ZINC001446485641 1184370381 /nfs/dbraw/zinc/37/03/81/1184370381.db2.gz AJKSKCDRSKUOAQ-SJORKVTESA-N 1 3 309.498 2.247 20 0 DEADHO CN(C)C1(C(=O)N2CC[C@](C)(C[NH2+]CC3CCCC3)C2)CCC1 ZINC001446588243 1184432601 /nfs/dbraw/zinc/43/26/01/1184432601.db2.gz XEASVLPBUDPDIV-GOSISDBHSA-N 1 3 321.509 2.489 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C1)CC[NH+](CC1CC(C)C1)CC2 ZINC001447100429 1184638316 /nfs/dbraw/zinc/63/83/16/1184638316.db2.gz OCUSLCKJOKJMRX-UHFFFAOYSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC2(CC1)CC[NH+](CC1CC1)CC2 ZINC001447697571 1184844724 /nfs/dbraw/zinc/84/47/24/1184844724.db2.gz AWSVVHQDJRWZEW-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cc(C)ccc1F ZINC001447930950 1184961765 /nfs/dbraw/zinc/96/17/65/1184961765.db2.gz ZIFLETFQOCYCAB-HUUCEWRRSA-N 1 3 323.456 2.459 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H](C)[N@H+](C)CCc1ccccc1)N(C)C ZINC001448031854 1185034082 /nfs/dbraw/zinc/03/40/82/1185034082.db2.gz AIQMVLKOJOGMAV-WMZOPIPTSA-N 1 3 319.493 2.252 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CCc1ccccc1)N(C)C ZINC001448031854 1185034091 /nfs/dbraw/zinc/03/40/91/1185034091.db2.gz AIQMVLKOJOGMAV-WMZOPIPTSA-N 1 3 319.493 2.252 20 0 DEADHO CC(C)CCC[NH+]1CC([C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001448314925 1185159665 /nfs/dbraw/zinc/15/96/65/1185159665.db2.gz AGIZNNOUEHXAJB-DOTOQJQBSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]C/C=C/Cl ZINC001448557028 1185292714 /nfs/dbraw/zinc/29/27/14/1185292714.db2.gz BNNLAFUJZYBCHE-SJPZSHDVSA-N 1 3 315.889 2.201 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1C[C@H](NC/C=C/Cl)C[C@H]1C ZINC001449023274 1185492726 /nfs/dbraw/zinc/49/27/26/1185492726.db2.gz WOMXUMVZEAXZKQ-VTGPQGOBSA-N 1 3 301.862 2.050 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](NC/C=C/Cl)C[C@H]1C ZINC001449023274 1185492729 /nfs/dbraw/zinc/49/27/29/1185492729.db2.gz WOMXUMVZEAXZKQ-VTGPQGOBSA-N 1 3 301.862 2.050 20 0 DEADHO CC(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001405866560 1164299826 /nfs/dbraw/zinc/29/98/26/1164299826.db2.gz LXNKVXUIVGOABP-YOEHRIQHSA-N 1 3 315.477 2.291 20 0 DEADHO c1cnc(N2CCC(C3C[NH2+]C3)CC2)c(CN2CCCC2)c1 ZINC001164616250 719037886 /nfs/dbraw/zinc/03/78/86/719037886.db2.gz VLKOUSBLNFWMMY-UHFFFAOYSA-N 1 3 300.450 2.113 20 0 DEADHO Cc1cccc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001370565693 1149810728 /nfs/dbraw/zinc/81/07/28/1149810728.db2.gz PVTFACFMYQMHSK-QAQDUYKDSA-N 1 3 317.477 2.380 20 0 DEADHO C[C@@H]1C[C@@H](NC/C=C/Cl)CN1C(=O)CCCC[NH+](C)C ZINC001332045722 1149812755 /nfs/dbraw/zinc/81/27/55/1149812755.db2.gz FJZCABWXMZOTTG-RTIZMKJZSA-N 1 3 301.862 2.050 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)N(C)C ZINC001370708759 1149828857 /nfs/dbraw/zinc/82/88/57/1149828857.db2.gz AOFPEKAQCLLMGX-BBWFWOEESA-N 1 3 309.498 2.390 20 0 DEADHO CN1CCCC[C@H]1CNC(=O)NCCCCC[NH+]1CCCC1 ZINC001122018915 782419871 /nfs/dbraw/zinc/41/98/71/782419871.db2.gz ZOHVFWXFFUYMGO-INIZCTEOSA-N 1 3 310.486 2.036 20 0 DEADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]CC1CC1 ZINC001106672562 782845237 /nfs/dbraw/zinc/84/52/37/782845237.db2.gz DFHMQDBJBXQTBZ-GDBMZVCRSA-N 1 3 309.498 2.058 20 0 DEADHO CN(C)[C@H](C(=O)NCCC[NH2+]CC1CC2(CCC2)C1)C1CC1 ZINC001159931843 790349775 /nfs/dbraw/zinc/34/97/75/790349775.db2.gz JTGTVPGDFYLVBS-INIZCTEOSA-N 1 3 307.482 2.003 20 0 DEADHO CC[C@H](F)C[NH2+]CC1(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001167225206 776782182 /nfs/dbraw/zinc/78/21/82/776782182.db2.gz QNDCJDYQLIKUPY-GJZGRUSLSA-N 1 3 313.461 2.095 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]C/C=C/Cl)C1 ZINC001211257834 777023199 /nfs/dbraw/zinc/02/31/99/777023199.db2.gz VLUKNVBRLJLQLD-OVPGCVMQSA-N 1 3 313.873 2.194 20 0 DEADHO C[C@H](C[NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)CN(C)C ZINC000724104468 777241858 /nfs/dbraw/zinc/24/18/58/777241858.db2.gz RRESAFRMXTVISB-KFWWJZLASA-N 1 3 313.486 2.467 20 0 DEADHO CC[C@H](F)C[NH2+]CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001167626473 777405794 /nfs/dbraw/zinc/40/57/94/777405794.db2.gz CCFNJPHYUWCOCJ-LSDHHAIUSA-N 1 3 301.450 2.093 20 0 DEADHO C[NH+](C)CCCC(=O)NCC1CC(NCc2ccccc2F)C1 ZINC001100618564 777458847 /nfs/dbraw/zinc/45/88/47/777458847.db2.gz NYFXRQUAXJSHNK-UHFFFAOYSA-N 1 3 321.440 2.152 20 0 DEADHO CC[C@@H](C(=O)NCC1CC([NH2+]Cc2ccccc2F)C1)N(C)C ZINC001100683811 777721376 /nfs/dbraw/zinc/72/13/76/777721376.db2.gz SXXRANVNJOMGHH-PGEKIEPBSA-N 1 3 321.440 2.150 20 0 DEADHO CCN(CC)CC(=O)NCC1CC([NH2+]CC2CC(C)(C)C2)C1 ZINC001100770505 778144734 /nfs/dbraw/zinc/14/47/34/778144734.db2.gz GIAPNDZHQMSKMP-UHFFFAOYSA-N 1 3 309.498 2.249 20 0 DEADHO CC(C)=CC[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105067025 778323342 /nfs/dbraw/zinc/32/33/42/778323342.db2.gz JRUATYVDWKWGFE-IAGOWNOFSA-N 1 3 309.498 2.367 20 0 DEADHO N=C(Nc1ccn(-c2ccc(F)cc2)c(=O)c1)SCC[NH3+] ZINC001167916620 778836218 /nfs/dbraw/zinc/83/62/18/778836218.db2.gz ULLPNKTWADELEH-UHFFFAOYSA-N 1 3 306.366 2.015 20 0 DEADHO CC(=O)N1CC([NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168029656 779491542 /nfs/dbraw/zinc/49/15/42/779491542.db2.gz UHEIFWVPRUQSNO-JLVBRIDZSA-N 1 3 315.461 2.248 20 0 DEADHO C[C@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCN(C)CC2)CCO1 ZINC001168073324 779845251 /nfs/dbraw/zinc/84/52/51/779845251.db2.gz CCNSJNUADPZARC-QFBILLFUSA-N 1 3 317.477 2.091 20 0 DEADHO CC(C)C[NH2+][C@H]1CCCCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001088382075 780052489 /nfs/dbraw/zinc/05/24/89/780052489.db2.gz UGAHQLBCNFVRTA-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CC[NH2+]CC1([C@H]2CCCCN2C(=O)CN(CC)CC)CCC1 ZINC001105568612 780767644 /nfs/dbraw/zinc/76/76/44/780767644.db2.gz UYEGYANEZUXQFH-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)(C)OC(=O)N1CC(C)([NH2+]C2CCN(CC3CC3)CC2)C1 ZINC001168351400 780871442 /nfs/dbraw/zinc/87/14/42/780871442.db2.gz RNNFZIPXPLHVHD-UHFFFAOYSA-N 1 3 323.481 2.460 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)[C@H]1C ZINC001088769100 780969262 /nfs/dbraw/zinc/96/92/62/780969262.db2.gz RDJUQNLWYJHAHS-BPQIPLTHSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)[C@H]1C ZINC001088769100 780969267 /nfs/dbraw/zinc/96/92/67/780969267.db2.gz RDJUQNLWYJHAHS-BPQIPLTHSA-N 1 3 321.509 2.486 20 0 DEADHO NCc1ccc2c(n1)N(C1CC[NH+](CC3CC3)CC1)CCC2 ZINC001168360920 780976515 /nfs/dbraw/zinc/97/65/15/780976515.db2.gz XQKPBAJWZSGOED-UHFFFAOYSA-N 1 3 300.450 2.167 20 0 DEADHO CC(C)N(C)CC(=O)N(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001142590499 781025795 /nfs/dbraw/zinc/02/57/95/781025795.db2.gz BXJMAOBUPXBBDZ-QAQDUYKDSA-N 1 3 318.465 2.020 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NCC[NH2+]CC1CCC(C)CC1 ZINC001127065854 781710246 /nfs/dbraw/zinc/71/02/46/781710246.db2.gz GAOPRDRKJJRWEJ-OFLPRAFFSA-N 1 3 309.498 2.391 20 0 DEADHO CCc1ncnc2c1CC[N@@H+](C1CCN(CC3CC3)CC1)CC2 ZINC001168377408 781741539 /nfs/dbraw/zinc/74/15/39/781741539.db2.gz GNWKAHHPFRMACJ-UHFFFAOYSA-N 1 3 314.477 2.314 20 0 DEADHO CCc1ncnc2c1CC[N@H+](C1CCN(CC3CC3)CC1)CC2 ZINC001168377408 781741543 /nfs/dbraw/zinc/74/15/43/781741543.db2.gz GNWKAHHPFRMACJ-UHFFFAOYSA-N 1 3 314.477 2.314 20 0 DEADHO CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001089639034 783308049 /nfs/dbraw/zinc/30/80/49/783308049.db2.gz LNPVCGVLRRCWAH-HZPDHXFCSA-N 1 3 309.498 2.486 20 0 DEADHO CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001089639034 783308054 /nfs/dbraw/zinc/30/80/54/783308054.db2.gz LNPVCGVLRRCWAH-HZPDHXFCSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2(N(C)C)CCC2)C1 ZINC001089821380 783480756 /nfs/dbraw/zinc/48/07/56/783480756.db2.gz SOEGDQGAWKLSEA-QAETUUGQSA-N 1 3 319.493 2.048 20 0 DEADHO CC(C)[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2(N(C)C)CCC2)C1 ZINC001089821380 783480764 /nfs/dbraw/zinc/48/07/64/783480764.db2.gz SOEGDQGAWKLSEA-QAETUUGQSA-N 1 3 319.493 2.048 20 0 DEADHO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCF)N1CCCCCC1 ZINC001085352703 783648360 /nfs/dbraw/zinc/64/83/60/783648360.db2.gz SRHOVGZVWDJIFF-BZUAXINKSA-N 1 3 313.461 2.237 20 0 DEADHO CCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001085639176 783913951 /nfs/dbraw/zinc/91/39/51/783913951.db2.gz JSABNNKUUTZPPS-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001085639176 783913962 /nfs/dbraw/zinc/91/39/62/783913962.db2.gz JSABNNKUUTZPPS-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CCN1CC1CC1 ZINC001085855430 784149456 /nfs/dbraw/zinc/14/94/56/784149456.db2.gz YKPDOGHCFPLKOZ-IRXDYDNUSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CCN1CC1CC1 ZINC001085855430 784149459 /nfs/dbraw/zinc/14/94/59/784149459.db2.gz YKPDOGHCFPLKOZ-IRXDYDNUSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CC1 ZINC001085855430 784149461 /nfs/dbraw/zinc/14/94/61/784149461.db2.gz YKPDOGHCFPLKOZ-IRXDYDNUSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CC1 ZINC001085855430 784149462 /nfs/dbraw/zinc/14/94/62/784149462.db2.gz YKPDOGHCFPLKOZ-IRXDYDNUSA-N 1 3 307.482 2.192 20 0 DEADHO CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968327983 784291786 /nfs/dbraw/zinc/29/17/86/784291786.db2.gz VQTIKZWUSVUTIE-CRAIPNDOSA-N 1 3 317.477 2.251 20 0 DEADHO CN(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C1)C1CC1 ZINC000968912879 784647078 /nfs/dbraw/zinc/64/70/78/784647078.db2.gz VTBDIZMHHQJZLS-MSOLQXFVSA-N 1 3 319.493 2.408 20 0 DEADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC000968996951 784685582 /nfs/dbraw/zinc/68/55/82/784685582.db2.gz UCPCGNVIVYBMBK-MSOLQXFVSA-N 1 3 317.477 2.272 20 0 DEADHO C[C@H]1C[C@H](N2CC3(C2)CC[NH+](C)CC3)CN1C(=O)OC(C)(C)C ZINC001168872200 784952241 /nfs/dbraw/zinc/95/22/41/784952241.db2.gz LLIOYWUTOGPBAM-GJZGRUSLSA-N 1 3 323.481 2.412 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCC[C@](O)(C(F)(F)F)C1)C2 ZINC001169125660 785047889 /nfs/dbraw/zinc/04/78/89/785047889.db2.gz KVRYCUWMPCSMMM-ZOBORPQBSA-N 1 3 306.372 2.391 20 0 DEADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCC[C@](O)(C(F)(F)F)C1)C2 ZINC001169125660 785047893 /nfs/dbraw/zinc/04/78/93/785047893.db2.gz KVRYCUWMPCSMMM-ZOBORPQBSA-N 1 3 306.372 2.391 20 0 DEADHO CCC(CC)C(=O)N1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169112743 785059501 /nfs/dbraw/zinc/05/95/01/785059501.db2.gz SGRXGIXNXAMSHT-VQHPVUNQSA-N 1 3 307.482 2.238 20 0 DEADHO CCC(CC)C(=O)N1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169112743 785059510 /nfs/dbraw/zinc/05/95/10/785059510.db2.gz SGRXGIXNXAMSHT-VQHPVUNQSA-N 1 3 307.482 2.238 20 0 DEADHO CC(C)(C(=O)N[C@H]1CCC[N@H+](CCC2CC2)C1)N1CCCC1 ZINC001008161128 785122922 /nfs/dbraw/zinc/12/29/22/785122922.db2.gz DWFQQHKIMLAJGX-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)(C(=O)N[C@H]1CCC[N@@H+](CCC2CC2)C1)N1CCCC1 ZINC001008161128 785122928 /nfs/dbraw/zinc/12/29/28/785122928.db2.gz DWFQQHKIMLAJGX-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129357406 785487041 /nfs/dbraw/zinc/48/70/41/785487041.db2.gz KKSYBGWZXBMZCQ-HNNXBMFYSA-N 1 3 303.450 2.246 20 0 DEADHO CN(C)C1(C(=O)NCC[NH2+][C@@H]2CCCc3ccccc32)CCC1 ZINC001129362654 785528022 /nfs/dbraw/zinc/52/80/22/785528022.db2.gz BKDLZZGIYNXASC-QGZVFWFLSA-N 1 3 315.461 2.254 20 0 DEADHO CC(C)=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C(C)C)C2 ZINC001108830306 785558029 /nfs/dbraw/zinc/55/80/29/785558029.db2.gz IXBXZPBKYWLOPJ-BBWFWOEESA-N 1 3 307.482 2.262 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CCC2)C1 ZINC001112568096 786160778 /nfs/dbraw/zinc/16/07/78/786160778.db2.gz XYBHJZBBFWWHIG-HKUYNNGSSA-N 1 3 321.509 2.347 20 0 DEADHO CSc1nc2ccsc2c(NC(=N)NCCCC[NH3+])n1 ZINC001157095956 786161352 /nfs/dbraw/zinc/16/13/52/786161352.db2.gz BWPBQTCSQWFPQQ-UHFFFAOYSA-N 1 3 310.452 2.088 20 0 DEADHO C[NH+](C)CCC(=O)N1CCN(CC2CCC(C)(C)CC2)CC1 ZINC001113300368 786512415 /nfs/dbraw/zinc/51/24/15/786512415.db2.gz SNRJCLPGFWKSLF-UHFFFAOYSA-N 1 3 309.498 2.299 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001014623399 786664842 /nfs/dbraw/zinc/66/48/42/786664842.db2.gz BNPPUCHDFYUEOG-DLBZAZTESA-N 1 3 321.509 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001014623399 786664848 /nfs/dbraw/zinc/66/48/48/786664848.db2.gz BNPPUCHDFYUEOG-DLBZAZTESA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H]1C[C@@H]([NH2+]C2CCN(CC3CCOCC3)CC2)CCO1 ZINC001170198648 786852770 /nfs/dbraw/zinc/85/27/70/786852770.db2.gz ZPBYFGZGJLSCAR-ZWKOTPCHSA-N 1 3 310.482 2.425 20 0 DEADHO C[NH+]1CCC(C(=O)N[C@H]2CCN(CC3=CCCCC3)C2)CC1 ZINC001015648267 787156979 /nfs/dbraw/zinc/15/69/79/787156979.db2.gz FLAAHXQXRRGZBC-KRWDZBQOSA-N 1 3 305.466 2.019 20 0 DEADHO O=C(NCCNCc1ccsc1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001129429894 787213580 /nfs/dbraw/zinc/21/35/80/787213580.db2.gz MFKBNWPSSZJMMJ-INIZCTEOSA-N 1 3 321.490 2.361 20 0 DEADHO O=C(NCCNCc1ccsc1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001129429894 787213586 /nfs/dbraw/zinc/21/35/86/787213586.db2.gz MFKBNWPSSZJMMJ-INIZCTEOSA-N 1 3 321.490 2.361 20 0 DEADHO C[C@@H]([NH2+]CCNC(=O)CN(C)C1CCC1)c1cccc(F)c1 ZINC001129534927 787225159 /nfs/dbraw/zinc/22/51/59/787225159.db2.gz DNRDZXLMOFXQBS-CYBMUJFWSA-N 1 3 307.413 2.077 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[NH2+]CCCCC(F)(F)F)N(C)C ZINC001129947424 787264547 /nfs/dbraw/zinc/26/45/47/787264547.db2.gz ZCXVBLOHIYCGMO-LBPRGKRZSA-N 1 3 311.392 2.011 20 0 DEADHO CC[C@H](C(=O)NCC[NH2+][C@@H](C)c1cccc(Cl)c1)N(C)C ZINC001130198171 787313410 /nfs/dbraw/zinc/31/34/10/787313410.db2.gz YKRDDBQXZXHHEL-SWLSCSKDSA-N 1 3 311.857 2.447 20 0 DEADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001130427635 787389461 /nfs/dbraw/zinc/38/94/61/787389461.db2.gz PKFRBIGRLDCQAO-NSHDSACASA-N 1 3 324.296 2.006 20 0 DEADHO C[C@H](Nc1ccc2c(c1)C1(CC2)CC[NH2+]CC1)[C@H]1CNCCO1 ZINC001170566163 787640765 /nfs/dbraw/zinc/64/07/65/787640765.db2.gz DUNZUAUGVOKQLG-KBXCAEBGSA-N 1 3 315.461 2.043 20 0 DEADHO CC[NH+](CC)Cc1cc(N[C@@H](C)[C@@H]2CNCCO2)ccc1OC ZINC001170575529 787668594 /nfs/dbraw/zinc/66/85/94/787668594.db2.gz QDPZQSZGCLWKDP-KSSFIOAISA-N 1 3 321.465 2.326 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCCF)C1 ZINC001132152719 787944695 /nfs/dbraw/zinc/94/46/95/787944695.db2.gz HXBYUGRKVKLEMN-ZIAGYGMSSA-N 1 3 301.450 2.045 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCCF)C1 ZINC001132152719 787944697 /nfs/dbraw/zinc/94/46/97/787944697.db2.gz HXBYUGRKVKLEMN-ZIAGYGMSSA-N 1 3 301.450 2.045 20 0 DEADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)N(CCCF)C1 ZINC001132152719 787944702 /nfs/dbraw/zinc/94/47/02/787944702.db2.gz HXBYUGRKVKLEMN-ZIAGYGMSSA-N 1 3 301.450 2.045 20 0 DEADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)N(CCCF)C1 ZINC001132152719 787944707 /nfs/dbraw/zinc/94/47/07/787944707.db2.gz HXBYUGRKVKLEMN-ZIAGYGMSSA-N 1 3 301.450 2.045 20 0 DEADHO CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)N1CCCCCC1)C2 ZINC001097972340 788302874 /nfs/dbraw/zinc/30/28/74/788302874.db2.gz TYQDMSZQKMDNMR-HZMVEIRTSA-N 1 3 307.482 2.382 20 0 DEADHO CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)N1CCCCCC1)C2 ZINC001097972340 788302881 /nfs/dbraw/zinc/30/28/81/788302881.db2.gz TYQDMSZQKMDNMR-HZMVEIRTSA-N 1 3 307.482 2.382 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001133274590 788346438 /nfs/dbraw/zinc/34/64/38/788346438.db2.gz KMTCCDZPLJJMCH-SJKUQHEZSA-N 1 3 315.889 2.155 20 0 DEADHO CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001098043406 788421375 /nfs/dbraw/zinc/42/13/75/788421375.db2.gz FIRHILJZRKAWQW-ZACQAIPSSA-N 1 3 301.434 2.103 20 0 DEADHO Cc1ccccc1CCC[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001133434390 788429591 /nfs/dbraw/zinc/42/95/91/788429591.db2.gz OXSQTAXBGSLSRF-GOSISDBHSA-N 1 3 319.493 2.220 20 0 DEADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]Cc1ccc(Cl)cc1 ZINC001133819499 788618588 /nfs/dbraw/zinc/61/85/88/788618588.db2.gz DQRZAMZCWLLUOC-CYBMUJFWSA-N 1 3 309.841 2.030 20 0 DEADHO Cc1cccc([C@@H](C)[NH2+]CCNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001133851122 788633331 /nfs/dbraw/zinc/63/33/31/788633331.db2.gz XGALVVUBXKVNLH-HZPDHXFCSA-N 1 3 303.450 2.104 20 0 DEADHO Cc1ccc(CNCCNC(=O)C[N@H+]2CC[C@@H](C)C2)c(Cl)c1 ZINC001133846121 788638216 /nfs/dbraw/zinc/63/82/16/788638216.db2.gz UJRAEKNBMYZWGK-CQSZACIVSA-N 1 3 323.868 2.196 20 0 DEADHO Cc1ccc(CNCCNC(=O)C[N@@H+]2CC[C@@H](C)C2)c(Cl)c1 ZINC001133846121 788638222 /nfs/dbraw/zinc/63/82/22/788638222.db2.gz UJRAEKNBMYZWGK-CQSZACIVSA-N 1 3 323.868 2.196 20 0 DEADHO CN(CC(=O)NCC[NH2+]C[C@H]1CCC(F)(F)C1)CC(C)(C)C ZINC001133907905 788667108 /nfs/dbraw/zinc/66/71/08/788667108.db2.gz CKVRLCSDQBADCA-ZDUSSCGKSA-N 1 3 319.440 2.106 20 0 DEADHO CN(CC(=O)NCC[NH2+]CC1CC2(CCC2)C1)CC(C)(C)C ZINC001133907863 788667189 /nfs/dbraw/zinc/66/71/89/788667189.db2.gz BDFSUOSTSVXFRT-UHFFFAOYSA-N 1 3 309.498 2.250 20 0 DEADHO CC[C@@H](C(=O)NCC[NH2+]Cc1cccc(OC(C)C)c1)N(C)C ZINC001133982511 788705631 /nfs/dbraw/zinc/70/56/31/788705631.db2.gz DERXUCJRBFOYBK-KRWDZBQOSA-N 1 3 321.465 2.020 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCF ZINC001170750351 788915096 /nfs/dbraw/zinc/91/50/96/788915096.db2.gz JEXCSUDINICYMV-HZPDHXFCSA-N 1 3 315.477 2.483 20 0 DEADHO C[C@H](C[C@@H](C)[NH2+]CCC(F)(F)F)NC(=O)C1(N(C)C)CCC1 ZINC001134584971 788989283 /nfs/dbraw/zinc/98/92/83/788989283.db2.gz YHOCCUYKMYDARW-VXGBXAGGSA-N 1 3 323.403 2.296 20 0 DEADHO C[C@@H](C[C@H](C)[NH2+]CCCCCF)NC(=O)C1(N(C)C)CCC1 ZINC001134583313 788989449 /nfs/dbraw/zinc/98/94/49/788989449.db2.gz ILSLWMQDPTUHGK-GJZGRUSLSA-N 1 3 315.477 2.483 20 0 DEADHO C[C@H](C(=O)NCCNCc1ccsc1)[NH+]1CCCCCC1 ZINC001134759673 789066930 /nfs/dbraw/zinc/06/69/30/789066930.db2.gz XLJMOBCQTIRRSL-CQSZACIVSA-N 1 3 309.479 2.218 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCOC(C)C ZINC001134774034 789074836 /nfs/dbraw/zinc/07/48/36/789074836.db2.gz UJWBJWQCPOLNOO-GJZGRUSLSA-N 1 3 315.502 2.015 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001135508520 789369759 /nfs/dbraw/zinc/36/97/59/789369759.db2.gz PKMAFPHNXUMKMX-UHFFFAOYSA-N 1 3 315.820 2.027 20 0 DEADHO CCN(CC)CC(=O)NCC[NH2+][C@H]1CCc2c1cccc2Cl ZINC001135511365 789381221 /nfs/dbraw/zinc/38/12/21/789381221.db2.gz OTUYJRAQCBTROH-INIZCTEOSA-N 1 3 323.868 2.375 20 0 DEADHO CCCCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(CC)CC ZINC001135705678 789460196 /nfs/dbraw/zinc/46/01/96/789460196.db2.gz HUMOEYDYIGVMCC-JKSUJKDBSA-N 1 3 315.502 2.018 20 0 DEADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1oc(C)nc1C ZINC001135745980 789475395 /nfs/dbraw/zinc/47/53/95/789475395.db2.gz CRRWWWZHIUKDPK-CHWSQXEVSA-N 1 3 324.469 2.006 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccnc1C ZINC001135976174 789586216 /nfs/dbraw/zinc/58/62/16/789586216.db2.gz HKXHUNLMZQETOU-CABCVRRESA-N 1 3 320.481 2.105 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cnccc1C ZINC001135976458 789586663 /nfs/dbraw/zinc/58/66/63/789586663.db2.gz JXEXPBCOBFOGDN-CVEARBPZSA-N 1 3 320.481 2.105 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cncc(C)c1 ZINC001135976950 789587650 /nfs/dbraw/zinc/58/76/50/789587650.db2.gz OOARYIOCPPGTIN-CVEARBPZSA-N 1 3 320.481 2.105 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1conc1C ZINC001135992156 789588937 /nfs/dbraw/zinc/58/89/37/789588937.db2.gz QBGMWIJFECUFJE-KBPBESRZSA-N 1 3 324.469 2.088 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1conc1C ZINC001135992156 789588944 /nfs/dbraw/zinc/58/89/44/789588944.db2.gz QBGMWIJFECUFJE-KBPBESRZSA-N 1 3 324.469 2.088 20 0 DEADHO CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1ocnc1C ZINC001135995338 789590103 /nfs/dbraw/zinc/59/01/03/789590103.db2.gz CXKVGKXGGWGPFN-KBPBESRZSA-N 1 3 324.469 2.088 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1ocnc1C ZINC001135995338 789590108 /nfs/dbraw/zinc/59/01/08/789590108.db2.gz CXKVGKXGGWGPFN-KBPBESRZSA-N 1 3 324.469 2.088 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCCC1 ZINC001136031457 789601346 /nfs/dbraw/zinc/60/13/46/789601346.db2.gz LLYSIHNGZVTEDH-STQMWFEESA-N 1 3 306.454 2.324 20 0 DEADHO CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2CN(C)C)CC[C@@H]1C ZINC001072099453 790052261 /nfs/dbraw/zinc/05/22/61/790052261.db2.gz QYFAHDIBJJJBQD-HOCLYGCPSA-N 1 3 303.450 2.351 20 0 DEADHO CC[N@H+]1C[C@@H](NC(=O)c2ccccc2CN(C)C)CC[C@@H]1C ZINC001072099453 790052266 /nfs/dbraw/zinc/05/22/66/790052266.db2.gz QYFAHDIBJJJBQD-HOCLYGCPSA-N 1 3 303.450 2.351 20 0 DEADHO CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@H]1C ZINC001072288665 790106865 /nfs/dbraw/zinc/10/68/65/790106865.db2.gz OWCGVSSCIHNYCA-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)CC[N@@H+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001072817213 790258863 /nfs/dbraw/zinc/25/88/63/790258863.db2.gz YHPZNGACFJQSJM-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)CC[N@H+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001072817213 790258869 /nfs/dbraw/zinc/25/88/69/790258869.db2.gz YHPZNGACFJQSJM-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO Cc1noc(C)c1C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146595004 791319418 /nfs/dbraw/zinc/31/94/18/791319418.db2.gz WEPDENJUXFOJDT-CHWSQXEVSA-N 1 3 324.469 2.005 20 0 DEADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001098219442 791592442 /nfs/dbraw/zinc/59/24/42/791592442.db2.gz FEQPOSXPUQZECX-VQHPVUNQSA-N 1 3 305.466 2.016 20 0 DEADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001098219442 791592448 /nfs/dbraw/zinc/59/24/48/791592448.db2.gz FEQPOSXPUQZECX-VQHPVUNQSA-N 1 3 305.466 2.016 20 0 DEADHO CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001098461336 791635212 /nfs/dbraw/zinc/63/52/12/791635212.db2.gz WYFXIQUFINTOKX-OIISXLGYSA-N 1 3 301.434 2.103 20 0 DEADHO CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001098461336 791635219 /nfs/dbraw/zinc/63/52/19/791635219.db2.gz WYFXIQUFINTOKX-OIISXLGYSA-N 1 3 301.434 2.103 20 0 DEADHO CC/C=C/CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001148226631 791716131 /nfs/dbraw/zinc/71/61/31/791716131.db2.gz LYJOPZZXPUVRGH-IWAYRVGRSA-N 1 3 321.509 2.463 20 0 DEADHO CC/C=C/CC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001148226631 791716136 /nfs/dbraw/zinc/71/61/36/791716136.db2.gz LYJOPZZXPUVRGH-IWAYRVGRSA-N 1 3 321.509 2.463 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CCC3CC3)C[C@@]2(C)C1)N(C)C ZINC001091758725 791814061 /nfs/dbraw/zinc/81/40/61/791814061.db2.gz JDUMXCCPEAVWJY-AOIWGVFYSA-N 1 3 321.509 2.153 20 0 DEADHO CC(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCC3CC3)C[C@@]2(C)C1)N(C)C ZINC001091758725 791814063 /nfs/dbraw/zinc/81/40/63/791814063.db2.gz JDUMXCCPEAVWJY-AOIWGVFYSA-N 1 3 321.509 2.153 20 0 DEADHO CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001086942595 791858027 /nfs/dbraw/zinc/85/80/27/791858027.db2.gz WGRZISVRSUBGMF-IAGOWNOFSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)C[C@]2(C)C1 ZINC001091910306 791898693 /nfs/dbraw/zinc/89/86/93/791898693.db2.gz RCWIZFNFHVPERI-APWZRJJASA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)C[C@]2(C)C1 ZINC001091910306 791898697 /nfs/dbraw/zinc/89/86/97/791898697.db2.gz RCWIZFNFHVPERI-APWZRJJASA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC1)N1CCCC1 ZINC001111467360 792117966 /nfs/dbraw/zinc/11/79/66/792117966.db2.gz GUILCWNXFZIOKK-BDXSIMOUSA-N 1 3 319.493 2.238 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC1)N1CCCC1 ZINC001111467360 792117971 /nfs/dbraw/zinc/11/79/71/792117971.db2.gz GUILCWNXFZIOKK-BDXSIMOUSA-N 1 3 319.493 2.238 20 0 DEADHO CC(C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001099434116 792205178 /nfs/dbraw/zinc/20/51/78/792205178.db2.gz AJZNFSPSUOMILH-LNLFQRSKSA-N 1 3 321.509 2.486 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCC1CC([NH2+]C/C=C/Cl)C1 ZINC001100382944 792622030 /nfs/dbraw/zinc/62/20/30/792622030.db2.gz DVFQCOLBDHSRJM-PYZVULKVSA-N 1 3 313.873 2.098 20 0 DEADHO CC[C@H](C(=O)NCC1CC([NH2+]Cc2ccccc2)C1)N(C)C ZINC001100442540 792654815 /nfs/dbraw/zinc/65/48/15/792654815.db2.gz LJSLKDPJRRAXLT-OFLPRAFFSA-N 1 3 303.450 2.011 20 0 DEADHO CC[C@H](C(=O)NCC1CC([NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001100443590 792656220 /nfs/dbraw/zinc/65/62/20/792656220.db2.gz POUJKECRLWBUTC-AVVWSFFYSA-N 1 3 309.498 2.247 20 0 DEADHO CC(C)[C@H](C(=O)NCC1CC([NH2+]Cc2ccsc2)C1)N(C)C ZINC001100647218 792767125 /nfs/dbraw/zinc/76/71/25/792767125.db2.gz JFGQXCXTVOGUGI-UYSNPLJNSA-N 1 3 323.506 2.319 20 0 DEADHO CC(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N1CCCC1)C2 ZINC001110161528 793055166 /nfs/dbraw/zinc/05/51/66/793055166.db2.gz IFGVZZVVGHHJKI-OWSLCNJRSA-N 1 3 321.509 2.484 20 0 DEADHO CC(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N1CCCC1)C2 ZINC001110161528 793055178 /nfs/dbraw/zinc/05/51/78/793055178.db2.gz IFGVZZVVGHHJKI-OWSLCNJRSA-N 1 3 321.509 2.484 20 0 DEADHO [NH3+]CCCCN1CCN([C@@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171473041 793105828 /nfs/dbraw/zinc/10/58/28/793105828.db2.gz OUNXAESFILRWAS-MRXNPFEDSA-N 1 3 323.431 2.179 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]CCCOC ZINC001171587150 793127534 /nfs/dbraw/zinc/12/75/34/793127534.db2.gz YYWWIWBDBRDOGL-OAHLLOKOSA-N 1 3 315.502 2.018 20 0 DEADHO CC/C=C/CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@]2(C)C1 ZINC001101365907 793134300 /nfs/dbraw/zinc/13/43/00/793134300.db2.gz PCTKLSLLGVSFQY-JJZULFEOSA-N 1 3 321.509 2.463 20 0 DEADHO CC/C=C/CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@]2(C)C1 ZINC001101365907 793134306 /nfs/dbraw/zinc/13/43/06/793134306.db2.gz PCTKLSLLGVSFQY-JJZULFEOSA-N 1 3 321.509 2.463 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+][C@H](C)COC ZINC001171597067 793145621 /nfs/dbraw/zinc/14/56/21/793145621.db2.gz VDBXQHTZGGOJNO-LSDHHAIUSA-N 1 3 315.502 2.016 20 0 DEADHO CC[C@H](C)C[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101476347 793173468 /nfs/dbraw/zinc/17/34/68/793173468.db2.gz ONNSQSINRPGQIX-JZXOWHBKSA-N 1 3 309.498 2.153 20 0 DEADHO CC[C@H](C)C[N@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101476347 793173471 /nfs/dbraw/zinc/17/34/71/793173471.db2.gz ONNSQSINRPGQIX-JZXOWHBKSA-N 1 3 309.498 2.153 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@H+](CC3CC(C)C3)C[C@@]2(C)C1 ZINC001101478668 793175866 /nfs/dbraw/zinc/17/58/66/793175866.db2.gz ZSLKSUQCPYLSFA-WXVPWVKJSA-N 1 3 321.509 2.153 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@@H+](CC3CC(C)C3)C[C@@]2(C)C1 ZINC001101478668 793175869 /nfs/dbraw/zinc/17/58/69/793175869.db2.gz ZSLKSUQCPYLSFA-WXVPWVKJSA-N 1 3 321.509 2.153 20 0 DEADHO CCCN(C)CC(=O)NCCC[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001171763032 793199097 /nfs/dbraw/zinc/19/90/97/793199097.db2.gz RQNBOBCFEVUHOL-GFCCVEGCSA-N 1 3 324.296 2.008 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCN[C@H]2CCN(C3CC3)C(=O)C2)C1 ZINC001172000747 793273667 /nfs/dbraw/zinc/27/36/67/793273667.db2.gz SQKWQVJVPJDHOA-OAGGEKHMSA-N 1 3 307.482 2.097 20 0 DEADHO COCCCCN1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172130432 793320154 /nfs/dbraw/zinc/32/01/54/793320154.db2.gz IFYGKMYATQNPTR-PIIMJCKOSA-N 1 3 309.498 2.046 20 0 DEADHO COCCCCN1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172130432 793320161 /nfs/dbraw/zinc/32/01/61/793320161.db2.gz IFYGKMYATQNPTR-PIIMJCKOSA-N 1 3 309.498 2.046 20 0 DEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H](CO)Cc1ccc(F)cc1F)C2 ZINC001172114619 793333855 /nfs/dbraw/zinc/33/38/55/793333855.db2.gz RIYHTDKRAVGLSK-LUKYLMHMSA-N 1 3 324.415 2.473 20 0 DEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H](CO)Cc1ccc(F)cc1F)C2 ZINC001172114619 793333865 /nfs/dbraw/zinc/33/38/65/793333865.db2.gz RIYHTDKRAVGLSK-LUKYLMHMSA-N 1 3 324.415 2.473 20 0 DEADHO COCCCN1CCC([NH2+][C@@H]2COCc3ccccc32)CC1 ZINC001172247294 793388376 /nfs/dbraw/zinc/38/83/76/793388376.db2.gz GIRVGTGZVPSXTA-GOSISDBHSA-N 1 3 304.434 2.348 20 0 DEADHO CC(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C1CCC1)C2 ZINC001094937282 793471073 /nfs/dbraw/zinc/47/10/73/793471073.db2.gz ITZSUEDFSMIXIK-ZOBUZTSGSA-N 1 3 307.482 2.096 20 0 DEADHO CCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048666 793486603 /nfs/dbraw/zinc/48/66/03/793486603.db2.gz KOFXPBUXMXJJKC-DJIMGWMZSA-N 1 3 309.498 2.201 20 0 DEADHO CCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048666 793486607 /nfs/dbraw/zinc/48/66/07/793486607.db2.gz KOFXPBUXMXJJKC-DJIMGWMZSA-N 1 3 309.498 2.201 20 0 DEADHO CCC(CC)N1CCC([NH2+][C@@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173754973 793837697 /nfs/dbraw/zinc/83/76/97/793837697.db2.gz ZZGHZDIJLFNRPF-NVXWUHKLSA-N 1 3 320.485 2.399 20 0 DEADHO CC[C@H](C(=O)NCC[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1C)N(C)C ZINC001103139874 793954006 /nfs/dbraw/zinc/95/40/06/793954006.db2.gz CBTRFCPRHMYVCR-ILUVHHAISA-N 1 3 315.889 2.153 20 0 DEADHO CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1C)N(C)C ZINC001103139874 793954010 /nfs/dbraw/zinc/95/40/10/793954010.db2.gz CBTRFCPRHMYVCR-ILUVHHAISA-N 1 3 315.889 2.153 20 0 DEADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1C ZINC001103550402 794140411 /nfs/dbraw/zinc/14/04/11/794140411.db2.gz NYCBEHWCLNXLPA-JHSOUAKNSA-N 1 3 315.889 2.155 20 0 DEADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1C ZINC001103550402 794140416 /nfs/dbraw/zinc/14/04/16/794140416.db2.gz NYCBEHWCLNXLPA-JHSOUAKNSA-N 1 3 315.889 2.155 20 0 DEADHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]C/C=C/Cl)N(C)C ZINC001175305695 794177169 /nfs/dbraw/zinc/17/71/69/794177169.db2.gz QISKMEMDOYZNEE-DBSLZISTSA-N 1 3 303.878 2.344 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CCCCNCc1cc(C)no1 ZINC001176023874 794334669 /nfs/dbraw/zinc/33/46/69/794334669.db2.gz KYUMGPRJVKIQJJ-AWEZNQCLSA-N 1 3 324.469 2.089 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCCNCc1cc(C)no1 ZINC001176023874 794334674 /nfs/dbraw/zinc/33/46/74/794334674.db2.gz KYUMGPRJVKIQJJ-AWEZNQCLSA-N 1 3 324.469 2.089 20 0 DEADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]C/C=C\Cl ZINC001176292971 794392010 /nfs/dbraw/zinc/39/20/10/794392010.db2.gz OHOOVIZGBSOUEG-LEJCZOIISA-N 1 3 303.878 2.345 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(F)cc1 ZINC001176986143 794547202 /nfs/dbraw/zinc/54/72/02/794547202.db2.gz FYRPHPIWTFTSGV-QGZVFWFLSA-N 1 3 321.440 2.296 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@H](C)c1ccccc1F ZINC001176986145 794547583 /nfs/dbraw/zinc/54/75/83/794547583.db2.gz FZCLSWUUMSXFOO-CQSZACIVSA-N 1 3 309.429 2.323 20 0 DEADHO CC(C)N(C)CC(=O)NCCC[NH2+]C/C=C\c1ccccc1 ZINC001176980338 794547631 /nfs/dbraw/zinc/54/76/31/794547631.db2.gz CDQJJLJVIGINCB-XFFZJAGNSA-N 1 3 303.450 2.136 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CCCCCF ZINC001176992748 794551242 /nfs/dbraw/zinc/55/12/42/794551242.db2.gz ZMJUHUVRHGDJJX-HNNXBMFYSA-N 1 3 301.450 2.097 20 0 DEADHO OC1CC[NH+](CCCNC/C=C\c2ccc(F)cc2F)CC1 ZINC001177479582 794689479 /nfs/dbraw/zinc/68/94/79/794689479.db2.gz UZHDFYBRHAXYGE-IWQZZHSRSA-N 1 3 310.388 2.414 20 0 DEADHO CN(C)C1(C(=O)NCCCCCC[NH2+]CCCF)CCC1 ZINC001178689505 794975567 /nfs/dbraw/zinc/97/55/67/794975567.db2.gz ZTGPFPBZURMMPL-UHFFFAOYSA-N 1 3 301.450 2.097 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCC(C)(C)C)[C@@H]2C)C1 ZINC001179539446 795134321 /nfs/dbraw/zinc/13/43/21/795134321.db2.gz YAKMXBMDDRQZLV-PMPSAXMXSA-N 1 3 309.498 2.343 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CCc2cccs2)[C@@H]1C ZINC001179766217 795175339 /nfs/dbraw/zinc/17/53/39/795175339.db2.gz OLXZMNHPTYPOKQ-HOCLYGCPSA-N 1 3 323.506 2.211 20 0 DEADHO CC[NH+]1CCC(N2CCCN(Cc3ccnc(F)c3)CC2)CC1 ZINC001118880065 795234923 /nfs/dbraw/zinc/23/49/23/795234923.db2.gz FXDPCNKHDJPJKI-UHFFFAOYSA-N 1 3 320.456 2.213 20 0 DEADHO CCCN(C)CC(=O)NCCCCCC[NH2+]C/C=C\Cl ZINC001180124520 795245352 /nfs/dbraw/zinc/24/53/52/795245352.db2.gz YVMGLYPZJYGTAP-HJWRWDBZSA-N 1 3 303.878 2.347 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCCCCCC[NH2+]CC1CCC1 ZINC001180158292 795252379 /nfs/dbraw/zinc/25/23/79/795252379.db2.gz HYXOGVXVISNEJL-UHFFFAOYSA-N 1 3 306.454 2.327 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CC(C)C)CCCCC1 ZINC001120069184 795401509 /nfs/dbraw/zinc/40/15/09/795401509.db2.gz WPUPXLZOGGLALL-UHFFFAOYSA-N 1 3 306.454 2.325 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3CC4(CCCC4)OC3=O)C[C@H]2C1 ZINC001120255943 795431114 /nfs/dbraw/zinc/43/11/14/795431114.db2.gz PFTIDOUIUKKRCA-BZUAXINKSA-N 1 3 321.465 2.371 20 0 DEADHO CN1CCC(N(C(=O)C23CC[NH+](CC2)CC3)C2CCCC2)CC1 ZINC001181548119 795492383 /nfs/dbraw/zinc/49/23/83/795492383.db2.gz XTOQSIKRTYLLAF-UHFFFAOYSA-N 1 3 319.493 2.338 20 0 DEADHO C[NH+]1CCC(C)(C(=O)N2CCN(CC3CCCCC3)CC2)CC1 ZINC001181981422 795571685 /nfs/dbraw/zinc/57/16/85/795571685.db2.gz ZDBSYNRHKJEWGF-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO CCN(CC)CC(=O)NC1CC2(C1)CC([NH2+]C/C=C/Cl)C2 ZINC001121935342 795707091 /nfs/dbraw/zinc/70/70/91/795707091.db2.gz OADALCYEINHFRU-AATRIKPKSA-N 1 3 313.873 2.098 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@]1(C)C[NH2+]CC1CC1 ZINC001182623343 795713507 /nfs/dbraw/zinc/71/35/07/795713507.db2.gz JDZWEEPHUWOIBE-DNVCBOLYSA-N 1 3 321.509 2.203 20 0 DEADHO CC[C@H](C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001182638027 795717051 /nfs/dbraw/zinc/71/70/51/795717051.db2.gz XPNJLBFDTYUHTE-UIBIWLFHSA-N 1 3 311.514 2.447 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C[C@H](F)CC)C1 ZINC001183228836 795828546 /nfs/dbraw/zinc/82/85/46/795828546.db2.gz VOKILVYGZLLKAF-BFYDXBDKSA-N 1 3 315.477 2.151 20 0 DEADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H](NC/C=C/Cl)C1 ZINC001183254825 795839375 /nfs/dbraw/zinc/83/93/75/795839375.db2.gz HDNZFFQVVBERAK-HYBGQWMJSA-N 1 3 313.873 2.192 20 0 DEADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H](NC/C=C/Cl)C1 ZINC001183254825 795839378 /nfs/dbraw/zinc/83/93/78/795839378.db2.gz HDNZFFQVVBERAK-HYBGQWMJSA-N 1 3 313.873 2.192 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001183764799 795926754 /nfs/dbraw/zinc/92/67/54/795926754.db2.gz IXOKURYJFQTAIO-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NC/C=C\Cl)C1 ZINC001183867665 795954637 /nfs/dbraw/zinc/95/46/37/795954637.db2.gz HTZWITVIQPJPOT-DGPIVGRDSA-N 1 3 313.873 2.050 20 0 DEADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NC/C=C\Cl)C1 ZINC001183867665 795954642 /nfs/dbraw/zinc/95/46/42/795954642.db2.gz HTZWITVIQPJPOT-DGPIVGRDSA-N 1 3 313.873 2.050 20 0 DEADHO CCCC[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001184576646 796086316 /nfs/dbraw/zinc/08/63/16/796086316.db2.gz JGIQIJRJFOSECT-JKSUJKDBSA-N 1 3 309.498 2.345 20 0 DEADHO C[NH+](C)CCOc1ccc(CN2[C@@H]3CC[C@H]2CC(=O)C3)cc1 ZINC001138769564 796272601 /nfs/dbraw/zinc/27/26/01/796272601.db2.gz SIESFUKOOKMDAS-IYBDPMFKSA-N 1 3 302.418 2.323 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]C/C=C/Cl)[C@@H](C)C1 ZINC001185551263 796280252 /nfs/dbraw/zinc/28/02/52/796280252.db2.gz YRAVUSYMFFKCHH-SJKUQHEZSA-N 1 3 315.889 2.155 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001185659752 796301143 /nfs/dbraw/zinc/30/11/43/796301143.db2.gz QFLDDNFFKMDHSE-FUHWJXTLSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]CC2CCC2)[C@@H](C)C1 ZINC001185751270 796315628 /nfs/dbraw/zinc/31/56/28/796315628.db2.gz OPCHOVARGMDHBC-DOTOQJQBSA-N 1 3 309.498 2.201 20 0 DEADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001186497149 796408879 /nfs/dbraw/zinc/40/88/79/796408879.db2.gz ZDVWACBSZOPPMK-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)[NH+]1CCC(CN(C)Cc2cnc3c(c2)OCCO3)CC1 ZINC001139733946 796418778 /nfs/dbraw/zinc/41/87/78/796418778.db2.gz ISJXNGSAFXCUGG-UHFFFAOYSA-N 1 3 319.449 2.405 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001187323107 796517831 /nfs/dbraw/zinc/51/78/31/796517831.db2.gz YNVNCVBWXLHCRW-QGZVFWFLSA-N 1 3 307.482 2.409 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCCc2ccccc2)C1 ZINC001187305971 796522204 /nfs/dbraw/zinc/52/22/04/796522204.db2.gz BWYHYGMSHFWYLK-GOSISDBHSA-N 1 3 317.477 2.152 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001188158688 796640601 /nfs/dbraw/zinc/64/06/01/796640601.db2.gz UQVZFBKTLHPESV-MRXNPFEDSA-N 1 3 307.482 2.097 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@@H]([N@H+](C)CC=C(C)C)C1 ZINC001190445746 796999185 /nfs/dbraw/zinc/99/91/85/796999185.db2.gz ZZSBBGDCEIWNNM-HZPDHXFCSA-N 1 3 313.461 2.165 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@@H]([N@@H+](C)CC=C(C)C)C1 ZINC001190445746 796999191 /nfs/dbraw/zinc/99/91/91/796999191.db2.gz ZZSBBGDCEIWNNM-HZPDHXFCSA-N 1 3 313.461 2.165 20 0 DEADHO CC(C)=CCN(C)[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001190890602 797103311 /nfs/dbraw/zinc/10/33/11/797103311.db2.gz UJCKNDHSOVSFEH-KRWDZBQOSA-N 1 3 319.493 2.361 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC[NH2+]CCC1=CCCCC1 ZINC001152146379 797150934 /nfs/dbraw/zinc/15/09/34/797150934.db2.gz JBHUXUJTKLXZPA-IYBDPMFKSA-N 1 3 307.482 2.456 20 0 DEADHO Cc1cc(CNCCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)cs1 ZINC001152480437 797194005 /nfs/dbraw/zinc/19/40/05/797194005.db2.gz UBQWASKMPFQVKP-MRXNPFEDSA-N 1 3 323.506 2.383 20 0 DEADHO Cc1ccc(F)cc1CN(C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192143550 797332830 /nfs/dbraw/zinc/33/28/30/797332830.db2.gz OXFLXLGUYZOTFF-KRWDZBQOSA-N 1 3 321.440 2.119 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([N@H+](C)CCCC3CCC3)C2)C1 ZINC001192355690 797372501 /nfs/dbraw/zinc/37/25/01/797372501.db2.gz SNEZNXOUJJQOQA-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CCCC3CCC3)C2)C1 ZINC001192355690 797372509 /nfs/dbraw/zinc/37/25/09/797372509.db2.gz SNEZNXOUJJQOQA-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC1CCC1 ZINC001153721037 797381731 /nfs/dbraw/zinc/38/17/31/797381731.db2.gz RSHIEBLAISFACX-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC1CCC1 ZINC001153721037 797381736 /nfs/dbraw/zinc/38/17/36/797381736.db2.gz RSHIEBLAISFACX-NVXWUHKLSA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)Cc1ccnc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)c1 ZINC001155390479 797747000 /nfs/dbraw/zinc/74/70/00/797747000.db2.gz PPPSCQKFJOWDJL-INIZCTEOSA-N 1 3 318.465 2.104 20 0 DEADHO CC[N@H+](CCCF)[C@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001155612400 797805939 /nfs/dbraw/zinc/80/59/39/797805939.db2.gz TVVJBFAFAGCPJB-CVEARBPZSA-N 1 3 315.477 2.437 20 0 DEADHO CC[N@@H+](CCCF)[C@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001155612400 797805945 /nfs/dbraw/zinc/80/59/45/797805945.db2.gz TVVJBFAFAGCPJB-CVEARBPZSA-N 1 3 315.477 2.437 20 0 DEADHO CCN(CC)CC(=O)NC[C@@H](C)[N@H+](CC)CCc1ccccc1 ZINC001155900210 797877367 /nfs/dbraw/zinc/87/73/67/797877367.db2.gz GUJAGVNCWSTTRR-QGZVFWFLSA-N 1 3 319.493 2.398 20 0 DEADHO CCN(CC)CC(=O)NC[C@@H](C)[N@@H+](CC)CCc1ccccc1 ZINC001155900210 797877376 /nfs/dbraw/zinc/87/73/76/797877376.db2.gz GUJAGVNCWSTTRR-QGZVFWFLSA-N 1 3 319.493 2.398 20 0 DEADHO c1ncn(-c2ccc3c(n2)CC[NH2+]C3)c1CNCc1ccccc1 ZINC001156482193 798012249 /nfs/dbraw/zinc/01/22/49/798012249.db2.gz JROPNQCSKCKIGW-UHFFFAOYSA-N 1 3 319.412 2.203 20 0 DEADHO CN(Cc1ccc(-n2ccc3cc(C[NH3+])cnc32)nc1)C1CC1 ZINC001156600655 798038785 /nfs/dbraw/zinc/03/87/85/798038785.db2.gz QRTDQLVXHBTMNG-UHFFFAOYSA-N 1 3 307.401 2.473 20 0 DEADHO CC[N@H+](CC1CC(F)(F)C1)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157113776 798145853 /nfs/dbraw/zinc/14/58/53/798145853.db2.gz NOUDXOIUPPDJQO-CYBMUJFWSA-N 1 3 319.440 2.199 20 0 DEADHO CC[N@@H+](CC1CC(F)(F)C1)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157113776 798145856 /nfs/dbraw/zinc/14/58/56/798145856.db2.gz NOUDXOIUPPDJQO-CYBMUJFWSA-N 1 3 319.440 2.199 20 0 DEADHO C[C@]1(CC(=O)N2CCN(CC3CCCCC3)CC2)CC[NH2+]C1 ZINC001157579995 798234873 /nfs/dbraw/zinc/23/48/73/798234873.db2.gz VUZQLLUGYWTTNX-GOSISDBHSA-N 1 3 307.482 2.101 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC[C@@H](C)F ZINC001158922856 798490621 /nfs/dbraw/zinc/49/06/21/798490621.db2.gz KGQUVVMBFVZRRM-HZPDHXFCSA-N 1 3 315.477 2.388 20 0 DEADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC[C@@H](C)F ZINC001158922856 798490624 /nfs/dbraw/zinc/49/06/24/798490624.db2.gz KGQUVVMBFVZRRM-HZPDHXFCSA-N 1 3 315.477 2.388 20 0 DEADHO CC[N@@H+]1CCCC[C@@H]1c1ccc(N[C@H](C)[C@@H]2CNCCO2)nc1 ZINC001159502917 798574742 /nfs/dbraw/zinc/57/47/42/798574742.db2.gz QQQDNTOCRKJIHD-OIISXLGYSA-N 1 3 318.465 2.417 20 0 DEADHO CC[N@H+]1CCCC[C@@H]1c1ccc(N[C@H](C)[C@@H]2CNCCO2)nc1 ZINC001159502917 798574745 /nfs/dbraw/zinc/57/47/45/798574745.db2.gz QQQDNTOCRKJIHD-OIISXLGYSA-N 1 3 318.465 2.417 20 0 DEADHO [NH3+]C1CCN(c2cccc(NCc3cccc4ccnn43)n2)CC1 ZINC001159617022 798589276 /nfs/dbraw/zinc/58/92/76/798589276.db2.gz AIEVVZDKJBZEKJ-UHFFFAOYSA-N 1 3 322.416 2.269 20 0 DEADHO CSc1ccc(C(F)(F)N[C@@H](N)CCC[NH3+])nc1Cl ZINC001159783195 798607605 /nfs/dbraw/zinc/60/76/05/798607605.db2.gz CFMLPOPBSACDSF-SECBINFHSA-N 1 3 310.801 2.120 20 0 DEADHO CN(C)[C@@H](C(=O)NCCC1=CC[N@H+](CCC2CC2)CC1)C1CC1 ZINC001160360273 798678850 /nfs/dbraw/zinc/67/88/50/798678850.db2.gz MNRKKSIKGPEHMM-GOSISDBHSA-N 1 3 319.493 2.265 20 0 DEADHO CN(C)[C@@H](C(=O)NCCC1=CC[N@@H+](CCC2CC2)CC1)C1CC1 ZINC001160360273 798678854 /nfs/dbraw/zinc/67/88/54/798678854.db2.gz MNRKKSIKGPEHMM-GOSISDBHSA-N 1 3 319.493 2.265 20 0 DEADHO CCCC[N@H+]1CC=C(CCNC(=O)CN(C)C2CCC2)CC1 ZINC001160386286 798682595 /nfs/dbraw/zinc/68/25/95/798682595.db2.gz RJVUDEWPDKCARD-UHFFFAOYSA-N 1 3 307.482 2.409 20 0 DEADHO CCCC[N@@H+]1CC=C(CCNC(=O)CN(C)C2CCC2)CC1 ZINC001160386286 798682598 /nfs/dbraw/zinc/68/25/98/798682598.db2.gz RJVUDEWPDKCARD-UHFFFAOYSA-N 1 3 307.482 2.409 20 0 DEADHO CC(C)[C@@H](C(=O)NCCC[NH2+]C/C=C/c1ccccc1)N(C)C ZINC001160420418 798686856 /nfs/dbraw/zinc/68/68/56/798686856.db2.gz FHXYOAJUBLCRCB-HCWHUNCVSA-N 1 3 317.477 2.382 20 0 DEADHO CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H]1CCC[C@H](c2ccccc2)N1 ZINC001160698482 798724796 /nfs/dbraw/zinc/72/47/96/798724796.db2.gz KPQRWPLTPQCOPD-NXHRZFHOSA-N 1 3 315.461 2.328 20 0 DEADHO CC[C@@H]1CO[C@](C)(CCC(C)C)N1C(=O)[C@@H](N)CCCC[NH3+] ZINC001160728392 798730612 /nfs/dbraw/zinc/73/06/12/798730612.db2.gz COSNMQUDGKERLK-HLLBOEOZSA-N 1 3 313.486 2.233 20 0 DEADHO CC[C@H]1CO[C@](C)(CCC(C)C)N1C(=O)[C@@H](N)CCCC[NH3+] ZINC001160728394 798730877 /nfs/dbraw/zinc/73/08/77/798730877.db2.gz COSNMQUDGKERLK-YQQAZPJKSA-N 1 3 313.486 2.233 20 0 DEADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]CC2CC(C)C2)CC1 ZINC001201326897 798741161 /nfs/dbraw/zinc/74/11/61/798741161.db2.gz DTJQGYTVNKLROF-UHFFFAOYSA-N 1 3 309.498 2.343 20 0 DEADHO [NH3+][C@@H]1CN(C(=O)[C@@H]2CCC[C@@H](c3ccccc3)N2)CC(F)(F)C1 ZINC001160974029 798773032 /nfs/dbraw/zinc/77/30/32/798773032.db2.gz XDVGZLNPCCRCQZ-KKUMJFAQSA-N 1 3 323.387 2.065 20 0 DEADHO CCCC[C@H]([NH2+]C)C(=O)N(C)CCN(C)Cc1ccccc1 ZINC001161158924 798803452 /nfs/dbraw/zinc/80/34/52/798803452.db2.gz QCNOGSINWODXLC-KRWDZBQOSA-N 1 3 305.466 2.355 20 0 DEADHO c1ccc(C[N@H+]2CCC[C@H]2CNc2ncc3c(n2)CCNC3)cc1 ZINC001161885268 798957787 /nfs/dbraw/zinc/95/77/87/798957787.db2.gz LOGZVHKRFNXBBQ-KRWDZBQOSA-N 1 3 323.444 2.199 20 0 DEADHO c1ccc(C[N@@H+]2CCC[C@H]2CNc2ncc3c(n2)CCNC3)cc1 ZINC001161885268 798957793 /nfs/dbraw/zinc/95/77/93/798957793.db2.gz LOGZVHKRFNXBBQ-KRWDZBQOSA-N 1 3 323.444 2.199 20 0 DEADHO CC(C)CCC[NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001202496272 798985371 /nfs/dbraw/zinc/98/53/71/798985371.db2.gz QVIMHJZRRNPNNU-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114407275 799090569 /nfs/dbraw/zinc/09/05/69/799090569.db2.gz VMHDLQFLFZIPGE-NCOADZHNSA-N 1 3 321.509 2.199 20 0 DEADHO CC(C)C[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114407275 799090580 /nfs/dbraw/zinc/09/05/80/799090580.db2.gz VMHDLQFLFZIPGE-NCOADZHNSA-N 1 3 321.509 2.199 20 0 DEADHO CCC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)[C@@H](C3CC3)N(C)C)[C@@H]2C1 ZINC001114408904 799092983 /nfs/dbraw/zinc/09/29/83/799092983.db2.gz CMAFHPDISXLPCM-RHQHIKAXSA-N 1 3 319.493 2.119 20 0 DEADHO CCC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)[C@@H](C3CC3)N(C)C)[C@@H]2C1 ZINC001114408904 799092991 /nfs/dbraw/zinc/09/29/91/799092991.db2.gz CMAFHPDISXLPCM-RHQHIKAXSA-N 1 3 319.493 2.119 20 0 DEADHO CN(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21)C1CC1 ZINC001114409281 799093371 /nfs/dbraw/zinc/09/33/71/799093371.db2.gz JAJGCNUNAGUGJX-HZMVEIRTSA-N 1 3 321.509 2.199 20 0 DEADHO CN(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21)C1CC1 ZINC001114409281 799093375 /nfs/dbraw/zinc/09/33/75/799093375.db2.gz JAJGCNUNAGUGJX-HZMVEIRTSA-N 1 3 321.509 2.199 20 0 DEADHO CC[NH2+]CCN(CCc1ccccc1)C(=O)C1(N(C)C)CCC1 ZINC001162832421 799185736 /nfs/dbraw/zinc/18/57/36/799185736.db2.gz SGMUPARPKAIKPI-UHFFFAOYSA-N 1 3 317.477 2.152 20 0 DEADHO CCN(CC)CCNC(=[NH2+])Nc1nc(C)nc2cc(F)ccc21 ZINC001163122107 799252407 /nfs/dbraw/zinc/25/24/07/799252407.db2.gz BNLSTRPIEGGLTD-UHFFFAOYSA-N 1 3 318.400 2.355 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CC[NH2+]CC1CC1 ZINC000717200627 799258796 /nfs/dbraw/zinc/25/87/96/799258796.db2.gz NJEVMNJOPICCDV-QAPCUYQASA-N 1 3 315.461 2.013 20 0 DEADHO CCN([C@@H]1CCOC1)C1CC[NH+](CCC2CCOCC2)CC1 ZINC001202664075 799352871 /nfs/dbraw/zinc/35/28/71/799352871.db2.gz HYJPADSULULYSD-GOSISDBHSA-N 1 3 310.482 2.378 20 0 DEADHO CN(C)C1(CNc2ccc(N3CCCC3)nc2)CC[NH+](C)CC1 ZINC001164210495 799539545 /nfs/dbraw/zinc/53/95/45/799539545.db2.gz FAIAAZABXNPZSO-UHFFFAOYSA-N 1 3 317.481 2.120 20 0 DEADHO CN(C)C1(CNc2ccc3c(c2)CCOC3)CC[NH+](C)CC1 ZINC001164212102 799540339 /nfs/dbraw/zinc/54/03/39/799540339.db2.gz YKGMMGYKJYAGRV-UHFFFAOYSA-N 1 3 303.450 2.197 20 0 DEADHO c1cc(N2CC[C@]3(C2)CCC[NH2+]C3)ncc1CN1CCCC1 ZINC001165241353 799683713 /nfs/dbraw/zinc/68/37/13/799683713.db2.gz DEURQPUXUIUTNO-GOSISDBHSA-N 1 3 300.450 2.257 20 0 DEADHO CC[C@@H](F)C[NH2+]CC1(CCNC(=O)CN(C)C2CCC2)CC1 ZINC001165501427 799738142 /nfs/dbraw/zinc/73/81/42/799738142.db2.gz HVFMXBXLENVSIQ-CQSZACIVSA-N 1 3 313.461 2.095 20 0 DEADHO CCc1ccccc1C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166004031 799811532 /nfs/dbraw/zinc/81/15/32/799811532.db2.gz CEONQNYDWKBJJQ-GOSISDBHSA-N 1 3 319.493 2.431 20 0 DEADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CCCC2CCCC2)C1 ZINC001166667993 799916073 /nfs/dbraw/zinc/91/60/73/799916073.db2.gz NPDJYNRIQOHJNJ-INIZCTEOSA-N 1 3 309.498 2.395 20 0 DEADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1ccc(C)cc1C)N(C)C ZINC001166866816 799968997 /nfs/dbraw/zinc/96/89/97/799968997.db2.gz VJKRDQBCXNVWSI-KRWDZBQOSA-N 1 3 305.466 2.240 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]([NH2+]C/C=C\Cl)C12CCC2 ZINC001203792033 800124053 /nfs/dbraw/zinc/12/40/53/800124053.db2.gz MQHFMBCOSITMBG-UIKBEFBESA-N 1 3 313.873 2.096 20 0 DEADHO C[C@@H]1COCCN(Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001204263868 800195786 /nfs/dbraw/zinc/19/57/86/800195786.db2.gz OSQJYYSOSDLBHO-INIZCTEOSA-N 1 3 306.450 2.485 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000933913957 800215449 /nfs/dbraw/zinc/21/54/49/800215449.db2.gz MUFIBDRTFAMANZ-IKGGRYGDSA-N 1 3 307.482 2.333 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000933913957 800215451 /nfs/dbraw/zinc/21/54/51/800215451.db2.gz MUFIBDRTFAMANZ-IKGGRYGDSA-N 1 3 307.482 2.333 20 0 DEADHO C[C@@H]1CN(C[C@@H]2C[NH2+]C(C)(C)O2)[C@@H](C)CN1Cc1ccccc1 ZINC001204896946 800271597 /nfs/dbraw/zinc/27/15/97/800271597.db2.gz SUYUWASKRUBRKP-RYRKJORJSA-N 1 3 317.477 2.306 20 0 DEADHO CCOc1ccc(CN2CCC[C@@](O)(C[NH3+])CC2)c(Cl)c1 ZINC001205248682 800330471 /nfs/dbraw/zinc/33/04/71/800330471.db2.gz RKCASVHVWYZRET-INIZCTEOSA-N 1 3 312.841 2.414 20 0 DEADHO COC[C@@H]1COCCC12CCN(CC(C)(C)C[NH+](C)C)CC2 ZINC001207282179 800721994 /nfs/dbraw/zinc/72/19/94/800721994.db2.gz NJLPORLHLPIBOG-MRXNPFEDSA-N 1 3 312.498 2.339 20 0 DEADHO CCOC(=O)C1(F)CCN(CCC2CC[NH+](C)CC2)CC1 ZINC001207482757 800764943 /nfs/dbraw/zinc/76/49/43/800764943.db2.gz FYIMBWBSKGEAHG-UHFFFAOYSA-N 1 3 300.418 2.086 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C ZINC001207750414 800823538 /nfs/dbraw/zinc/82/35/38/800823538.db2.gz RBXRQJATTHCAPF-GDBMZVCRSA-N 1 3 309.498 2.343 20 0 DEADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C ZINC001207750414 800823545 /nfs/dbraw/zinc/82/35/45/800823545.db2.gz RBXRQJATTHCAPF-GDBMZVCRSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001208035487 800898723 /nfs/dbraw/zinc/89/87/23/800898723.db2.gz KGUANWUSBZASEP-IRXDYDNUSA-N 1 3 309.498 2.486 20 0 DEADHO C[NH+]1CCC(C)(CN2CCN(c3cccc(O)c3)CC2)CC1 ZINC001208110228 800914004 /nfs/dbraw/zinc/91/40/04/800914004.db2.gz XJJNNPTYZHWDRK-UHFFFAOYSA-N 1 3 303.450 2.246 20 0 DEADHO CC(C)N1CCOC[C@]2(CCC[N@H+](C[C@@H]3CCCN(C)C3)C2)C1 ZINC001208606109 801028182 /nfs/dbraw/zinc/02/81/82/801028182.db2.gz CMWWJKQAJOZXPL-MOPGFXCFSA-N 1 3 323.525 2.151 20 0 DEADHO CC(C)N1CCOC[C@]2(CCC[N@@H+](C[C@@H]3CCCN(C)C3)C2)C1 ZINC001208606109 801028187 /nfs/dbraw/zinc/02/81/87/801028187.db2.gz CMWWJKQAJOZXPL-MOPGFXCFSA-N 1 3 323.525 2.151 20 0 DEADHO C[N@@H+]1CCC[C@H](CN2CCC(NC(=O)C3CCCC3)CC2)C1 ZINC001208607919 801031418 /nfs/dbraw/zinc/03/14/18/801031418.db2.gz OOKGJIUMXOLMEI-HNNXBMFYSA-N 1 3 307.482 2.099 20 0 DEADHO C[N@H+]1CCC[C@H](CN2CCC(NC(=O)C3CCCC3)CC2)C1 ZINC001208607919 801031423 /nfs/dbraw/zinc/03/14/23/801031423.db2.gz OOKGJIUMXOLMEI-HNNXBMFYSA-N 1 3 307.482 2.099 20 0 DEADHO Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3C[C@H]3CCC[N@@H+](C)C3)O2)n1 ZINC001208611092 801034190 /nfs/dbraw/zinc/03/41/90/801034190.db2.gz UMRJPHVZHUDAKR-ZJIFWQFVSA-N 1 3 320.437 2.014 20 0 DEADHO Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3C[C@H]3CCC[N@H+](C)C3)O2)n1 ZINC001208611092 801034195 /nfs/dbraw/zinc/03/41/95/801034195.db2.gz UMRJPHVZHUDAKR-ZJIFWQFVSA-N 1 3 320.437 2.014 20 0 DEADHO COC(=O)[C@H](C)CN1C[C@@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001208713430 801052253 /nfs/dbraw/zinc/05/22/53/801052253.db2.gz PQEVZXJYGLYTRQ-KBAYOESNSA-N 1 3 316.445 2.168 20 0 DEADHO Cc1cc(N2CCN(C)CC2)ccc1NC1=CC[N@H+](C)CC1 ZINC001208845260 801078309 /nfs/dbraw/zinc/07/83/09/801078309.db2.gz VYAWUHRGTGKOAQ-UHFFFAOYSA-N 1 3 300.450 2.378 20 0 DEADHO Cc1cc(N2CCN(C)CC2)ccc1NC1=CC[N@@H+](C)CC1 ZINC001208845260 801078311 /nfs/dbraw/zinc/07/83/11/801078311.db2.gz VYAWUHRGTGKOAQ-UHFFFAOYSA-N 1 3 300.450 2.378 20 0 DEADHO COC(=O)[C@H]1CCCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208948980 801100453 /nfs/dbraw/zinc/10/04/53/801100453.db2.gz UTRGEWQIPPSASK-MSOLQXFVSA-N 1 3 316.445 2.394 20 0 DEADHO COC(=O)[C@H]1CCCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208948980 801100456 /nfs/dbraw/zinc/10/04/56/801100456.db2.gz UTRGEWQIPPSASK-MSOLQXFVSA-N 1 3 316.445 2.394 20 0 DEADHO O=C(NC1CC1)[C@H]1C[C@H]2CN(CCC[NH+]3CCCCC3)C[C@H]2C1 ZINC001209449936 801192483 /nfs/dbraw/zinc/19/24/83/801192483.db2.gz FMGOLTGLPXFPQZ-OSYLJGHBSA-N 1 3 319.493 2.099 20 0 DEADHO c1cnc(N2CC[C@@]23CC[N@@H+](CCCN2CCCCC2)C3)nc1 ZINC001209450942 801194036 /nfs/dbraw/zinc/19/40/36/801194036.db2.gz DXKRTAVAAOKZRI-GOSISDBHSA-N 1 3 315.465 2.007 20 0 DEADHO c1cnc(N2CC[C@@]23CC[N@H+](CCCN2CCCCC2)C3)nc1 ZINC001209450942 801194041 /nfs/dbraw/zinc/19/40/41/801194041.db2.gz DXKRTAVAAOKZRI-GOSISDBHSA-N 1 3 315.465 2.007 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CCCCCF)C2)C1 ZINC001209641599 801243859 /nfs/dbraw/zinc/24/38/59/801243859.db2.gz JNVCOSRJGZOMGO-HZPDHXFCSA-N 1 3 313.461 2.049 20 0 DEADHO CC[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209659681 801249194 /nfs/dbraw/zinc/24/91/94/801249194.db2.gz HHFYYPUKUVMRSW-CVEARBPZSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)C[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001209835355 801293569 /nfs/dbraw/zinc/29/35/69/801293569.db2.gz ACQQRPMHLWNQHL-HUUCEWRRSA-N 1 3 306.454 2.215 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC[C@H](C)F ZINC001229868759 801330468 /nfs/dbraw/zinc/33/04/68/801330468.db2.gz MXFSRMPCBCJLGT-RRFJBIMHSA-N 1 3 301.450 2.093 20 0 DEADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CCc2cccs2)C1 ZINC001210219942 801353933 /nfs/dbraw/zinc/35/39/33/801353933.db2.gz VLPWWGBTCTZPCO-OAHLLOKOSA-N 1 3 323.506 2.213 20 0 DEADHO CCCCCC[NH+]1CCC(NC(=O)Cc2nc[nH]c2C)CC1 ZINC001230125458 801363572 /nfs/dbraw/zinc/36/35/72/801363572.db2.gz VXUONNJNCICTBP-UHFFFAOYSA-N 1 3 306.454 2.422 20 0 DEADHO CC[C@@H](F)CN[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210744636 801456553 /nfs/dbraw/zinc/45/65/53/801456553.db2.gz SNUCWOUYRWIDJM-HUUCEWRRSA-N 1 3 301.450 2.047 20 0 DEADHO CC[C@@H](F)CN[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211240765 801536342 /nfs/dbraw/zinc/53/63/42/801536342.db2.gz PMHFPDPPJRSKFH-CVEARBPZSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)C[C@H]1C ZINC001214611139 801739162 /nfs/dbraw/zinc/73/91/62/801739162.db2.gz QNPHBOIIUNNXJF-BRWVUGGUSA-N 1 3 309.498 2.342 20 0 DEADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001215994031 801924196 /nfs/dbraw/zinc/92/41/96/801924196.db2.gz MYWHAPWUXLSFHO-NVXWUHKLSA-N 1 3 307.482 2.265 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2F)C1 ZINC001216499181 801981057 /nfs/dbraw/zinc/98/10/57/801981057.db2.gz GNAHVODYTZYUCK-RHSMWYFYSA-N 1 3 321.440 2.104 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csc(C)c2)C1 ZINC001216511541 801981509 /nfs/dbraw/zinc/98/15/09/801981509.db2.gz SPZIFSOJSDGKLM-CZUORRHYSA-N 1 3 323.506 2.335 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2cccs2)C1 ZINC001216511742 801982104 /nfs/dbraw/zinc/98/21/04/801982104.db2.gz YLOLDBCZJPUPCP-GDBMZVCRSA-N 1 3 323.506 2.069 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccsc2)C1 ZINC001216851621 802034255 /nfs/dbraw/zinc/03/42/55/802034255.db2.gz CJCJRDPALAFRDN-UKRRQHHQSA-N 1 3 309.479 2.025 20 0 DEADHO Clc1ccc(-c2nnc(CNCC3CC[NH2+]CC3)o2)cc1 ZINC001217757224 802111866 /nfs/dbraw/zinc/11/18/66/802111866.db2.gz GOZAGKIVUAAAJQ-UHFFFAOYSA-N 1 3 306.797 2.479 20 0 DEADHO Cc1cc(NC(=O)[C@@H](N)CCCC[NH3+])cc(C(F)(F)F)c1 ZINC001218897141 802254941 /nfs/dbraw/zinc/25/49/41/802254941.db2.gz HTCZDKOVNKJVSP-LBPRGKRZSA-N 1 3 303.328 2.409 20 0 DEADHO CC[NH+](CC)CCNC(=O)[C@@H]1CCC[C@H](c2ccccc2)N1 ZINC001219555805 802344498 /nfs/dbraw/zinc/34/44/98/802344498.db2.gz SMXFXCKEDNQINX-SJORKVTESA-N 1 3 303.450 2.328 20 0 DEADHO C[C@@H](NC(=O)[C@@H](N)CCCC[NH3+])c1cccc(Cl)c1F ZINC001219689019 802366052 /nfs/dbraw/zinc/36/60/52/802366052.db2.gz DZVIVPKJVRYBIQ-SKDRFNHKSA-N 1 3 301.793 2.113 20 0 DEADHO N[C@@H](CCCC[NH3+])C(=O)NC1c2ccccc2-c2ccccc21 ZINC001220067467 802407910 /nfs/dbraw/zinc/40/79/10/802407910.db2.gz MQDQWSWFLWHLBY-KRWDZBQOSA-N 1 3 309.413 2.329 20 0 DEADHO N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001220149845 802417022 /nfs/dbraw/zinc/41/70/22/802417022.db2.gz FNHHYOUVTWOQLE-AYOQOUSVSA-N 1 3 323.440 2.077 20 0 DEADHO CC(C)c1ccc([C@@H](C)NC(=O)[C@@H](N)CSCC[NH3+])cc1 ZINC001220965007 802516576 /nfs/dbraw/zinc/51/65/76/802516576.db2.gz XQTIXAIDGLULKT-DOMZBBRYSA-N 1 3 309.479 2.006 20 0 DEADHO CCN(CC)CC(=O)N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221033517 802522421 /nfs/dbraw/zinc/52/24/21/802522421.db2.gz GPGYLZRUYLBEMV-SFHVURJKSA-N 1 3 321.440 2.324 20 0 DEADHO CCN1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001221712623 802606102 /nfs/dbraw/zinc/60/61/02/802606102.db2.gz JBFLASGOSWCTPF-HZPDHXFCSA-N 1 3 307.482 2.051 20 0 DEADHO c1ccc(-c2cccc(CN3CCNC4(CC[NH2+]CC4)C3)n2)cc1 ZINC001222104833 802644509 /nfs/dbraw/zinc/64/45/09/802644509.db2.gz NFCDIEYXDHXPKV-UHFFFAOYSA-N 1 3 322.456 2.276 20 0 DEADHO Nc1[nH]cc(CN2CCC3(CNc4ccc(F)cc43)CC2)[nH+]1 ZINC001222330843 802670691 /nfs/dbraw/zinc/67/06/91/802670691.db2.gz PLZBLDDTTFISAP-UHFFFAOYSA-N 1 3 301.369 2.090 20 0 DEADHO Cc1ccc2c(c1)C1(CN2)CC[NH+](CC[C@H]2CNCCO2)CC1 ZINC001222477814 802692400 /nfs/dbraw/zinc/69/24/00/802692400.db2.gz RWFBWWZBKTUHTH-INIZCTEOSA-N 1 3 315.461 2.133 20 0 DEADHO CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)N(CC)CC)C[C@@H]21 ZINC001223488710 802795394 /nfs/dbraw/zinc/79/53/94/802795394.db2.gz AAMTXNMIMAUMMK-ZACQAIPSSA-N 1 3 309.498 2.440 20 0 DEADHO CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)N(CC)CC)C[C@@H]21 ZINC001223488710 802795400 /nfs/dbraw/zinc/79/54/00/802795400.db2.gz AAMTXNMIMAUMMK-ZACQAIPSSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1CC[NH+](CC2CC(C)C2)CC1)N(C)C ZINC001223534317 802798199 /nfs/dbraw/zinc/79/81/99/802798199.db2.gz ZZTUWEGLMDPRKK-VJFUWPCTSA-N 1 3 323.525 2.447 20 0 DEADHO CC[C@H](F)CN1CCC(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001223533141 802798587 /nfs/dbraw/zinc/79/85/87/802798587.db2.gz AQNULCPTSULFEB-HOTGVXAUSA-N 1 3 315.477 2.149 20 0 DEADHO CCCC[NH+]1CCC(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001225543755 802980689 /nfs/dbraw/zinc/98/06/89/802980689.db2.gz YPLHAZDXUFPNTF-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NC1CC[NH+](CC=C(C)C)CC1 ZINC001227618262 803261423 /nfs/dbraw/zinc/26/14/23/803261423.db2.gz DFFLYDWFVIJXRY-INIZCTEOSA-N 1 3 313.461 2.213 20 0 DEADHO CCCCCC[NH+]1CCC(NC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001227797852 803281400 /nfs/dbraw/zinc/28/14/00/803281400.db2.gz NPNKLFMPXLBTPV-KRWDZBQOSA-N 1 3 309.498 2.488 20 0 DEADHO CN(C)C1(C(=O)NC2CC[NH+](CC3CC(C)(C)C3)CC2)CCC1 ZINC001227806934 803282892 /nfs/dbraw/zinc/28/28/92/803282892.db2.gz IGBWXIVKXHWSMQ-UHFFFAOYSA-N 1 3 321.509 2.488 20 0 DEADHO CC/C=C/CC[NH+]1CCC(NC(=O)CN(C)C2CCC2)CC1 ZINC001227832790 803286452 /nfs/dbraw/zinc/28/64/52/803286452.db2.gz OHKZWFJDPBAYCG-SNAWJCMRSA-N 1 3 307.482 2.408 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1CC12CC[NH+](C[C@H](F)CC)CC2 ZINC001417957283 1167327203 /nfs/dbraw/zinc/32/72/03/1167327203.db2.gz ROZQEVJQHXITAQ-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO C[NH2+]C[C@H]1CCCCN1C(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC001330930825 1149336213 /nfs/dbraw/zinc/33/62/13/1149336213.db2.gz VOEPCZZZYNUIPX-KGLIPLIRSA-N 1 3 324.856 2.034 20 0 DEADHO CC[C@H](F)CN1CCC2(C[C@@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001370086779 1149383169 /nfs/dbraw/zinc/38/31/69/1149383169.db2.gz FKEXOQWDXQYQQG-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CC2)CC1)N(C)C ZINC001419376120 1168431478 /nfs/dbraw/zinc/43/14/78/1168431478.db2.gz IFSNOFDPWKMVNT-ULQDDVLXSA-N 1 3 309.498 2.390 20 0 DEADHO [NH3+]C1CCN(CCNCc2ccsc2C(F)(F)F)CC1 ZINC001580189892 1067519751 /nfs/dbraw/zinc/51/97/51/1067519751.db2.gz SYTZCQVPFPNZIM-UHFFFAOYSA-N 1 3 307.385 2.280 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]Cc2ccsc2)CCC1)N(C)C ZINC001368475806 1148460057 /nfs/dbraw/zinc/46/00/57/1148460057.db2.gz MBDCUKZLKIIZLV-CQSZACIVSA-N 1 3 309.479 2.217 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)CCC[N@H+](C)CC1CC(C)C1)N(C)C ZINC001368545233 1148487611 /nfs/dbraw/zinc/48/76/11/1148487611.db2.gz PDTKZRHAIWYAEH-JCYILVPMSA-N 1 3 311.514 2.399 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)CCC[N@@H+](C)CC1CC(C)C1)N(C)C ZINC001368545233 1148487614 /nfs/dbraw/zinc/48/76/14/1148487614.db2.gz PDTKZRHAIWYAEH-JCYILVPMSA-N 1 3 311.514 2.399 20 0 DEADHO CC[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(F)cc1)N(C)C ZINC001368558507 1148495689 /nfs/dbraw/zinc/49/56/89/1148495689.db2.gz QDLQLNRLAYPAFL-KRWDZBQOSA-N 1 3 323.456 2.446 20 0 DEADHO CC[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccc(F)cc1)N(C)C ZINC001368558507 1148495693 /nfs/dbraw/zinc/49/56/93/1148495693.db2.gz QDLQLNRLAYPAFL-KRWDZBQOSA-N 1 3 323.456 2.446 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1F ZINC001499944684 1058395236 /nfs/dbraw/zinc/39/52/36/1058395236.db2.gz OMTJAAIGTHCTQM-INIZCTEOSA-N 1 3 321.440 2.248 20 0 DEADHO CC(C)[NH+]1CCC(C)(CNC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001500461853 1058803859 /nfs/dbraw/zinc/80/38/59/1058803859.db2.gz BKZMPLVUPRYQEZ-HZPDHXFCSA-N 1 3 309.498 2.486 20 0 DEADHO CC(C)(C)CC[NH2+]CC[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001501648529 1059606064 /nfs/dbraw/zinc/60/60/64/1059606064.db2.gz ZVSMAWDWUWFZCE-INIZCTEOSA-N 1 3 309.498 2.347 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@]2(CC[N@H+](CCCF)C2)C1 ZINC001502547734 1060174533 /nfs/dbraw/zinc/17/45/33/1060174533.db2.gz CZAIUVADGZCPBB-QGZVFWFLSA-N 1 3 313.461 2.001 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@]2(CC[N@@H+](CCCF)C2)C1 ZINC001502547734 1060174548 /nfs/dbraw/zinc/17/45/48/1060174548.db2.gz CZAIUVADGZCPBB-QGZVFWFLSA-N 1 3 313.461 2.001 20 0 DEADHO CC[N@H+](CCCF)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001505400447 1060533815 /nfs/dbraw/zinc/53/38/15/1060533815.db2.gz PSXWGTAXKNPYOW-UHFFFAOYSA-N 1 3 313.461 2.002 20 0 DEADHO CC[N@@H+](CCCF)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001505400447 1060533833 /nfs/dbraw/zinc/53/38/33/1060533833.db2.gz PSXWGTAXKNPYOW-UHFFFAOYSA-N 1 3 313.461 2.002 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)CC(C)(C)C[NH2+]CC2CCC2)C1 ZINC001505833812 1061015167 /nfs/dbraw/zinc/01/51/67/1061015167.db2.gz SAVQTCGCKCPUAR-OAHLLOKOSA-N 1 3 309.498 2.203 20 0 DEADHO CC(C)[C@H](CNC(=O)N[C@@H]1CCN(C)[C@@H]1C)[NH+]1CCCCCC1 ZINC001479376548 1061423104 /nfs/dbraw/zinc/42/31/04/1061423104.db2.gz QCLTZXRVUJWGOC-ZACQAIPSSA-N 1 3 324.513 2.279 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[C@@H]([NH2+]CC2CC(C)C2)C1)N(C)C ZINC001479408662 1061445522 /nfs/dbraw/zinc/44/55/22/1061445522.db2.gz LICXLKVODKJKJJ-YOTSKQKMSA-N 1 3 309.498 2.103 20 0 DEADHO CC[C@H](F)C[NH2+][C@@H]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001479453610 1061463431 /nfs/dbraw/zinc/46/34/31/1061463431.db2.gz DDVSTDVMOAGWKF-SOUVJXGZSA-N 1 3 313.461 2.093 20 0 DEADHO CCCC[NH2+][C@@H]1CCCCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001479691936 1061606745 /nfs/dbraw/zinc/60/67/45/1061606745.db2.gz GZATVSBYUJETIS-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO Cc1ccccc1C[NH+]1CC([C@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001506676560 1062267657 /nfs/dbraw/zinc/26/76/57/1062267657.db2.gz BOQWAZFCVVWACT-INIZCTEOSA-N 1 3 317.477 2.272 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCC2CC2)C1 ZINC001506883990 1062469124 /nfs/dbraw/zinc/46/91/24/1062469124.db2.gz MJRIEJXQZOCJAP-ULQDDVLXSA-N 1 3 307.482 2.144 20 0 DEADHO C[C@H](CCC[NH2+]C/C=C\Cl)NC(=O)C1(N(C)C)CCC1 ZINC001506924556 1062534429 /nfs/dbraw/zinc/53/44/29/1062534429.db2.gz OGPXHZSCIPTZAY-AGEOTTOMSA-N 1 3 301.862 2.098 20 0 DEADHO CN(CC(=O)N1CCC[C@H](C[NH2+]C/C=C\Cl)C1)C1CCC1 ZINC001480286231 1062587480 /nfs/dbraw/zinc/58/74/80/1062587480.db2.gz OOFVJIHYPIOFRP-SMGNDMQFSA-N 1 3 313.873 2.051 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]C/C=C\Cl ZINC001480461805 1062896221 /nfs/dbraw/zinc/89/62/21/1062896221.db2.gz OUFIFYKFFIIKOI-MEJMFZKBSA-N 1 3 301.862 2.098 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]C/C=C/c1ccccc1)N(C)C ZINC001480482147 1062919883 /nfs/dbraw/zinc/91/98/83/1062919883.db2.gz RJMBTVVPSAZTJE-RHSNYOTESA-N 1 3 317.477 2.380 20 0 DEADHO C[C@@H]1[C@@H](NCc2ccccc2F)CCN1C(=O)CCC[NH+](C)C ZINC001507290890 1063043201 /nfs/dbraw/zinc/04/32/01/1063043201.db2.gz RFUCYQKICVBOPK-PBHICJAKSA-N 1 3 321.440 2.247 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CC1)N1CCCCCC1 ZINC001493139535 1063600964 /nfs/dbraw/zinc/60/09/64/1063600964.db2.gz IFTSMGZOFHMJAU-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CC1)N1CCCCCC1 ZINC001493139535 1063600967 /nfs/dbraw/zinc/60/09/67/1063600967.db2.gz IFTSMGZOFHMJAU-DOTOQJQBSA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)[C@H](C(=O)NCC1=CC[N@H+](CC2CCC2)CC1)N(C)C ZINC001508231126 1063624006 /nfs/dbraw/zinc/62/40/06/1063624006.db2.gz XFEFQSDMWPINFC-QGZVFWFLSA-N 1 3 307.482 2.121 20 0 DEADHO CC(C)[C@H](C(=O)NCC1=CC[N@@H+](CC2CCC2)CC1)N(C)C ZINC001508231126 1063624013 /nfs/dbraw/zinc/62/40/13/1063624013.db2.gz XFEFQSDMWPINFC-QGZVFWFLSA-N 1 3 307.482 2.121 20 0 DEADHO CC(C)c1ccccc1C[NH2+]CCN(C)C(=O)CN1CCCC1 ZINC001493793230 1063966055 /nfs/dbraw/zinc/96/60/55/1063966055.db2.gz DOLVYVJNFFCBIP-UHFFFAOYSA-N 1 3 317.477 2.454 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CCc1ccccc1 ZINC001567611371 1064279722 /nfs/dbraw/zinc/27/97/22/1064279722.db2.gz DWGUNLWMHSHYSL-GOSISDBHSA-N 1 3 317.477 2.152 20 0 DEADHO CCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001567858420 1064465442 /nfs/dbraw/zinc/46/54/42/1064465442.db2.gz IUCFKHAOKBEPRM-IRXDYDNUSA-N 1 3 319.493 2.338 20 0 DEADHO CCN(C(=O)CC[NH+](C)C)[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001494909720 1064567003 /nfs/dbraw/zinc/56/70/03/1064567003.db2.gz ILOITRDGATZAFO-SFHVURJKSA-N 1 3 317.477 2.370 20 0 DEADHO CC[C@H](CNC(=O)[C@@H](CC)N(C)C)[NH2+]Cc1ccc(C)c(F)c1 ZINC001495001941 1064634519 /nfs/dbraw/zinc/63/45/19/1064634519.db2.gz MPRCAWDGSVPTDF-NVXWUHKLSA-N 1 3 323.456 2.459 20 0 DEADHO CCC1([NH2+]CCC(C)C)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001368594463 1148513835 /nfs/dbraw/zinc/51/38/35/1148513835.db2.gz NAVIYWAVMDSTIV-MRXNPFEDSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCF)CC1 ZINC001568105648 1064649335 /nfs/dbraw/zinc/64/93/35/1064649335.db2.gz TXEXLHZUAGUKIH-BZUAXINKSA-N 1 3 313.461 2.236 20 0 DEADHO CC[C@H](CNC(=O)CC[NH+](C)C)NCc1ccccc1Cl ZINC001495048032 1064662632 /nfs/dbraw/zinc/66/26/32/1064662632.db2.gz BLSKFMNCLDDUDP-CQSZACIVSA-N 1 3 311.857 2.276 20 0 DEADHO CC(C)C[NH2+]CCC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001495414406 1064890056 /nfs/dbraw/zinc/89/00/56/1064890056.db2.gz ACQSEDYJMGTCGG-KRWDZBQOSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccccc1F)N(C)C ZINC001568644248 1065016958 /nfs/dbraw/zinc/01/69/58/1065016958.db2.gz MKMKWOTUYGRQKF-PBHICJAKSA-N 1 3 323.456 2.396 20 0 DEADHO Cc1cc(C[NH2+]C[C@H](C)CNC(=O)CN2CC[C@@H](C)C2)cs1 ZINC001495742946 1065088402 /nfs/dbraw/zinc/08/84/02/1065088402.db2.gz LSVQVLSJBWQHPE-KGLIPLIRSA-N 1 3 323.506 2.240 20 0 DEADHO C[NH+](C)Cc1ccc(C(=O)NC/C=C\CNC/C=C\Cl)cc1 ZINC001568937815 1065199230 /nfs/dbraw/zinc/19/92/30/1065199230.db2.gz ZGHIXOLBHWPMCW-QQTPKPIZSA-N 1 3 321.852 2.376 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001569038365 1065252890 /nfs/dbraw/zinc/25/28/90/1065252890.db2.gz JYPCMKCFBSSLIK-KGLIPLIRSA-N 1 3 319.440 2.246 20 0 DEADHO CC/C=C\CCN1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001569359727 1065454798 /nfs/dbraw/zinc/45/47/98/1065454798.db2.gz LIHCWIGZHMSDIW-QFVQOVQKSA-N 1 3 307.482 2.264 20 0 DEADHO CC/C=C\CCN1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001569359727 1065454807 /nfs/dbraw/zinc/45/48/07/1065454807.db2.gz LIHCWIGZHMSDIW-QFVQOVQKSA-N 1 3 307.482 2.264 20 0 DEADHO CCCCCN1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001569369618 1065465231 /nfs/dbraw/zinc/46/52/31/1065465231.db2.gz IKBLJTUHDMWMBC-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO CCCCCN1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001569369618 1065465234 /nfs/dbraw/zinc/46/52/34/1065465234.db2.gz IKBLJTUHDMWMBC-DLBZAZTESA-N 1 3 309.498 2.489 20 0 DEADHO CC(C)=CC[NH2+]C1(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CCC1 ZINC001570127400 1065934336 /nfs/dbraw/zinc/93/43/36/1065934336.db2.gz FBMUPHUYLJCZBV-HOTGVXAUSA-N 1 3 307.482 2.454 20 0 DEADHO CCN(CC[NH2+]CC(C)C)C(=O)c1cccc(CN(C)C)c1 ZINC001497500403 1066116759 /nfs/dbraw/zinc/11/67/59/1066116759.db2.gz HBDYQSRYBGJWJU-UHFFFAOYSA-N 1 3 305.466 2.456 20 0 DEADHO CC(C)C[C@@H]1C[C@H](NCc2nc3c(s2)C[NH2+]CC3)CCO1 ZINC001575548982 1066345447 /nfs/dbraw/zinc/34/54/47/1066345447.db2.gz BTWQAUHQEYLPQJ-CHWSQXEVSA-N 1 3 309.479 2.472 20 0 DEADHO C[C@]1(c2ccccc2)CC[C@H](NCc2cn(C3C[NH2+]C3)nn2)C1 ZINC001576559614 1066635702 /nfs/dbraw/zinc/63/57/02/1066635702.db2.gz CKYQAHGXGNYNLQ-YJBOKZPZSA-N 1 3 311.433 2.022 20 0 DEADHO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C[NH2+]CC(C)(C)N ZINC001576893600 1066713733 /nfs/dbraw/zinc/71/37/33/1066713733.db2.gz AEAKPSFFDJBJBK-RYUDHWBXSA-N 1 3 315.458 2.074 20 0 DEADHO CC[C@H](C)C[C@@H](N)C(=O)Nc1ccc(C[NH+](C)C)cc1OC ZINC001576980709 1066737218 /nfs/dbraw/zinc/73/72/18/1066737218.db2.gz GRDIWJDCSVZHSD-GXTWGEPZSA-N 1 3 307.438 2.459 20 0 DEADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]C/C=C\Cl ZINC001498504605 1066750954 /nfs/dbraw/zinc/75/09/54/1066750954.db2.gz OJTQMCSCOAUIHS-XDHNQJSPSA-N 1 3 315.889 2.344 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)CCC[NH2+]CC=C(Cl)Cl)N(C)C ZINC001498560185 1066779303 /nfs/dbraw/zinc/77/93/03/1066779303.db2.gz AHEZJHQEWZWRNE-ZDUSSCGKSA-N 1 3 324.296 2.330 20 0 DEADHO CCN(Cc1ccc(C(=O)N(C)C)cc1)C[C@@H](C[NH3+])C(C)C ZINC001577734334 1066918159 /nfs/dbraw/zinc/91/81/59/1066918159.db2.gz KTCQWXMSVNQMCY-QGZVFWFLSA-N 1 3 305.466 2.441 20 0 DEADHO CN(CCCN(C)C(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)Cc1ccco1 ZINC001578466402 1067111884 /nfs/dbraw/zinc/11/18/84/1067111884.db2.gz KSUXDKXETJVYNH-SJORKVTESA-N 1 3 319.449 2.091 20 0 DEADHO COC(=O)c1[nH]c(CN2CCC3(CCC[C@H]3C[NH3+])CC2)cc1C ZINC001578847198 1067180771 /nfs/dbraw/zinc/18/07/71/1067180771.db2.gz NZAUOBMACKBPQO-AWEZNQCLSA-N 1 3 319.449 2.451 20 0 DEADHO COC(=O)c1ccc2c(c1)[C@@H](C[NH2+]CC(C)(C)CN)CCC2 ZINC001578874113 1067187257 /nfs/dbraw/zinc/18/72/57/1067187257.db2.gz KKKNHNPKEJMIFG-OAHLLOKOSA-N 1 3 304.434 2.468 20 0 DEADHO COc1ccc([C@H](C[NH3+])CN2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cc1 ZINC001579193941 1067254183 /nfs/dbraw/zinc/25/41/83/1067254183.db2.gz IBZIAWYCQSXLGK-NXHRZFHOSA-N 1 3 320.477 2.466 20 0 DEADHO CC[C@@H](F)CN1CC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001499613883 1067278212 /nfs/dbraw/zinc/27/82/12/1067278212.db2.gz IMRVSWPMSPMPQX-WBVHZDCISA-N 1 3 313.461 2.001 20 0 DEADHO Cc1c(C[C@H](C[NH3+])CNC(C)(C)c2ccc(C)nc2)cnn1C ZINC001579665872 1067400478 /nfs/dbraw/zinc/40/04/78/1067400478.db2.gz JKGLXTFHYIQREJ-OAHLLOKOSA-N 1 3 315.465 2.074 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)C[C@H]3CC[C@@H]([NH3+])C3)C2)cc1 ZINC001579691311 1067405749 /nfs/dbraw/zinc/40/57/49/1067405749.db2.gz VZUYHAPDRQUSDP-KSZLIROESA-N 1 3 315.461 2.203 20 0 DEADHO N[C@H](C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)C1CCCCCC1 ZINC001580108808 1067495776 /nfs/dbraw/zinc/49/57/76/1067495776.db2.gz IOCHMCBRSMISHO-IRXDYDNUSA-N 1 3 307.482 2.371 20 0 DEADHO [NH3+]CC1(NC(=O)c2ccc(NC3=NCCC3)cc2)CCCC1 ZINC001580245458 1067536587 /nfs/dbraw/zinc/53/65/87/1067536587.db2.gz VLDKCPBLZMZNAJ-UHFFFAOYSA-N 1 3 300.406 2.292 20 0 DEADHO CN(CCC[NH2+][C@H]1CCc2ccccc21)C(=O)[C@H]1CCCN1C ZINC001483455847 1078544225 /nfs/dbraw/zinc/54/42/25/1078544225.db2.gz FVQYBRFMUYSSCJ-ZWKOTPCHSA-N 1 3 315.461 2.206 20 0 DEADHO CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1ccccc1F)N(C)C ZINC001483491031 1078562610 /nfs/dbraw/zinc/56/26/10/1078562610.db2.gz VQXDHQLRBAIWFE-QGZVFWFLSA-N 1 3 323.456 2.350 20 0 DEADHO C[C@H](NC(=O)c1cccc(CN(C)C)c1)[C@H](C)[NH2+]CCCF ZINC001570653707 1068055324 /nfs/dbraw/zinc/05/53/24/1068055324.db2.gz VDLMKAVUVMJGKL-KBPBESRZSA-N 1 3 309.429 2.204 20 0 DEADHO CN(CC(=O)N(C)C1CCC([NH2+]CCCF)CC1)C1CCC1 ZINC001570661166 1068058611 /nfs/dbraw/zinc/05/86/11/1068058611.db2.gz OCJPAFXLSFFKKY-UHFFFAOYSA-N 1 3 313.461 2.190 20 0 DEADHO CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C ZINC001571463401 1068313437 /nfs/dbraw/zinc/31/34/37/1068313437.db2.gz VCKYRURRYSRIEC-YMYIHSNWSA-N 1 3 304.438 2.278 20 0 DEADHO CCCCC[N@H+]1CC=C(CNC(=O)CN(C)C2CCC2)CC1 ZINC001571688906 1068480928 /nfs/dbraw/zinc/48/09/28/1068480928.db2.gz CPYLGDCOUWVKBV-UHFFFAOYSA-N 1 3 307.482 2.409 20 0 DEADHO CCCCC[N@@H+]1CC=C(CNC(=O)CN(C)C2CCC2)CC1 ZINC001571688906 1068480934 /nfs/dbraw/zinc/48/09/34/1068480934.db2.gz CPYLGDCOUWVKBV-UHFFFAOYSA-N 1 3 307.482 2.409 20 0 DEADHO CC(C)[C@H](C(=O)NCC1=CC[N@H+](CCC2CC2)CC1)N(C)C ZINC001571698277 1068488672 /nfs/dbraw/zinc/48/86/72/1068488672.db2.gz BBBPLSSKDAYJNO-QGZVFWFLSA-N 1 3 307.482 2.121 20 0 DEADHO CC(C)[C@H](C(=O)NCC1=CC[N@@H+](CCC2CC2)CC1)N(C)C ZINC001571698277 1068488676 /nfs/dbraw/zinc/48/86/76/1068488676.db2.gz BBBPLSSKDAYJNO-QGZVFWFLSA-N 1 3 307.482 2.121 20 0 DEADHO Cc1cccc(C)c1C[NH2+]CCN(C)C(=O)CN(C)C(C)C ZINC001267475113 1078896089 /nfs/dbraw/zinc/89/60/89/1078896089.db2.gz XFXWYPGOOYJJDV-UHFFFAOYSA-N 1 3 305.466 2.192 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001272573605 1078972122 /nfs/dbraw/zinc/97/21/22/1078972122.db2.gz JJSZVHHDILDIOR-MRXNPFEDSA-N 1 3 316.449 2.281 20 0 DEADHO C[C@@H]1C[C@H]2CC[C@H](C(=O)N(C)CCN3CCCCC3)C[N@@H+]2C1 ZINC001548726723 1072845479 /nfs/dbraw/zinc/84/54/79/1072845479.db2.gz ZXFFMNLQGLZUOF-IXDOHACOSA-N 1 3 307.482 2.051 20 0 DEADHO C[C@@H]1C[C@H]2CC[C@H](C(=O)N(C)CCN3CCCCC3)C[N@H+]2C1 ZINC001548726723 1072845490 /nfs/dbraw/zinc/84/54/90/1072845490.db2.gz ZXFFMNLQGLZUOF-IXDOHACOSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCC1)N(C)C ZINC001272611864 1079008844 /nfs/dbraw/zinc/00/88/44/1079008844.db2.gz GHPBFXXIUVPSLC-IXDOHACOSA-N 1 3 307.482 2.190 20 0 DEADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCCC1)N(C)C ZINC001272611864 1079008852 /nfs/dbraw/zinc/00/88/52/1079008852.db2.gz GHPBFXXIUVPSLC-IXDOHACOSA-N 1 3 307.482 2.190 20 0 DEADHO O=C([C@@H]1CCCCN1C1CCCC1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001645814201 1079006276 /nfs/dbraw/zinc/00/62/76/1079006276.db2.gz WIVURMLNFCHILN-MSOLQXFVSA-N 1 3 319.493 2.480 20 0 DEADHO O=C([C@@H]1CCCCN1C1CCCC1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001645814201 1079006285 /nfs/dbraw/zinc/00/62/85/1079006285.db2.gz WIVURMLNFCHILN-MSOLQXFVSA-N 1 3 319.493 2.480 20 0 DEADHO C[C@H](C(=O)N[C@H]1C[NH2+]C[C@H]1c1ccccc1)N1CCCCCC1 ZINC001550077230 1073414514 /nfs/dbraw/zinc/41/45/14/1073414514.db2.gz NCYIQNVNDCMGRN-NJAFHUGGSA-N 1 3 315.461 2.123 20 0 DEADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]([NH3+])C(C)(C)C)C2)cc1 ZINC001550101556 1073426995 /nfs/dbraw/zinc/42/69/95/1073426995.db2.gz ZCADOMPRZBLDLE-CVEARBPZSA-N 1 3 303.450 2.059 20 0 DEADHO [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)c2ccc3c(c2)CNCC3)C1 ZINC001550108421 1073430936 /nfs/dbraw/zinc/43/09/36/1073430936.db2.gz GYDOPURLBRECBR-AWEZNQCLSA-N 1 3 321.424 2.110 20 0 DEADHO CN1CCCC[C@H](CN2CCC(C)([NH+]3CCCC3)CC2)C1=O ZINC001550127504 1073443822 /nfs/dbraw/zinc/44/38/22/1073443822.db2.gz WMRMDZDKOXMLBM-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO Cc1ncc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@@H]2O)s1 ZINC001550422960 1073648235 /nfs/dbraw/zinc/64/82/35/1073648235.db2.gz FSHQYZYVFXGORI-UGUYLWEFSA-N 1 3 309.479 2.021 20 0 DEADHO Cc1ncc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@@H]2O)s1 ZINC001550422960 1073648241 /nfs/dbraw/zinc/64/82/41/1073648241.db2.gz FSHQYZYVFXGORI-UGUYLWEFSA-N 1 3 309.479 2.021 20 0 DEADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cccc(O)c3)C2)[C@@H]1C(C)C ZINC001550422913 1073648581 /nfs/dbraw/zinc/64/85/81/1073648581.db2.gz FFCUUBUFBASFJL-VJANTYMQSA-N 1 3 318.461 2.352 20 0 DEADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cccc(O)c3)C2)[C@@H]1C(C)C ZINC001550422913 1073648588 /nfs/dbraw/zinc/64/85/88/1073648588.db2.gz FFCUUBUFBASFJL-VJANTYMQSA-N 1 3 318.461 2.352 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)CC(C)(C)C[NH2+]C/C=C/Cl)C1 ZINC001329335047 1148885403 /nfs/dbraw/zinc/88/54/03/1148885403.db2.gz HWEMIOBLEBDMLM-HZRUHFOJSA-N 1 3 315.889 2.155 20 0 DEADHO Cc1cc(F)ncc1CN[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@@H]1O ZINC001550663243 1073782394 /nfs/dbraw/zinc/78/23/94/1073782394.db2.gz FQIXPNSQAPJCKW-ATLSCFEFSA-N 1 3 321.440 2.098 20 0 DEADHO Cc1cc(F)ncc1CN[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@@H]1O ZINC001550663243 1073782399 /nfs/dbraw/zinc/78/23/99/1073782399.db2.gz FQIXPNSQAPJCKW-ATLSCFEFSA-N 1 3 321.440 2.098 20 0 DEADHO CCn1cc(O[C@H]2CCC[C@H]2NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC001550675349 1073795565 /nfs/dbraw/zinc/79/55/65/1073795565.db2.gz WFSCCVCFDOBHQN-GPFKCLTHSA-N 1 3 318.465 2.418 20 0 DEADHO CCn1cc(O[C@H]2CCC[C@H]2NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC001550675349 1073795567 /nfs/dbraw/zinc/79/55/67/1073795567.db2.gz WFSCCVCFDOBHQN-GPFKCLTHSA-N 1 3 318.465 2.418 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@H]2CN(Cc3cc4n(n3)CCCC4)C[C@H]2C1 ZINC001551263982 1074140334 /nfs/dbraw/zinc/14/03/34/1074140334.db2.gz ZYUYQGVAVSJKDL-ZMSDIMECSA-N 1 3 302.466 2.382 20 0 DEADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(Cc3cc4c(cn3)OCCO4)C[C@H]2C1 ZINC001551263250 1074140359 /nfs/dbraw/zinc/14/03/59/1074140359.db2.gz UTZIXOSXBIRQAA-IIAWOOMASA-N 1 3 317.433 2.015 20 0 DEADHO [NH3+]CC[C@@H]1CCCCN1C[C@@H](O)COc1ccc(Cl)cc1 ZINC001646279613 1074397519 /nfs/dbraw/zinc/39/75/19/1074397519.db2.gz CIHUSKLVMXKBSD-LSDHHAIUSA-N 1 3 312.841 2.283 20 0 DEADHO C[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@H]2O1)[C@H]1CCCN(C2CCC2)C1 ZINC001646314912 1074410397 /nfs/dbraw/zinc/41/03/97/1074410397.db2.gz RXNOBBGHMDYLAI-ONMISFSYSA-N 1 3 308.466 2.033 20 0 DEADHO C[C@H](NC[C@@H]1C[C@@H]2COC[C@H]2O1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001646314912 1074410400 /nfs/dbraw/zinc/41/04/00/1074410400.db2.gz RXNOBBGHMDYLAI-ONMISFSYSA-N 1 3 308.466 2.033 20 0 DEADHO C[C@H](NC[C@@H]1C[C@@H]2COC[C@H]2O1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001646314912 1074410404 /nfs/dbraw/zinc/41/04/04/1074410404.db2.gz RXNOBBGHMDYLAI-ONMISFSYSA-N 1 3 308.466 2.033 20 0 DEADHO C[C@H](C(=O)N[C@]1(C)CC[N@H+](CC2CC2)C1)N1CCCCCC1 ZINC001484060263 1079274309 /nfs/dbraw/zinc/27/43/09/1079274309.db2.gz HEVHNHQZPRRPNH-CRAIPNDOSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H](C(=O)N[C@]1(C)CC[N@@H+](CC2CC2)C1)N1CCCCCC1 ZINC001484060263 1079274315 /nfs/dbraw/zinc/27/43/15/1079274315.db2.gz HEVHNHQZPRRPNH-CRAIPNDOSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H](C(=O)N[C@@]1(C)CC[N@H+](CC2CC2)C1)N1CCCCCC1 ZINC001484060265 1079274804 /nfs/dbraw/zinc/27/48/04/1079274804.db2.gz HEVHNHQZPRRPNH-QAPCUYQASA-N 1 3 307.482 2.242 20 0 DEADHO C[C@H](C(=O)N[C@@]1(C)CC[N@@H+](CC2CC2)C1)N1CCCCCC1 ZINC001484060265 1079274811 /nfs/dbraw/zinc/27/48/11/1079274811.db2.gz HEVHNHQZPRRPNH-QAPCUYQASA-N 1 3 307.482 2.242 20 0 DEADHO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C[C@H]1NCc2ccccc21 ZINC001552390684 1074564163 /nfs/dbraw/zinc/56/41/63/1074564163.db2.gz GXSKLVQHVYSUNZ-GVDBMIGSSA-N 1 3 301.434 2.210 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CCCC[NH2+]C2)N(C)C)cc1 ZINC001552420914 1074573370 /nfs/dbraw/zinc/57/33/70/1074573370.db2.gz WQUYTBOPXLGTHQ-SJORKVTESA-N 1 3 303.450 2.104 20 0 DEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)CC(C)(C)C[NH3+])CC1 ZINC001646753374 1074600128 /nfs/dbraw/zinc/60/01/28/1074600128.db2.gz BRTDAWSYAVASID-CQSZACIVSA-N 1 3 318.465 2.098 20 0 DEADHO CN(C)[C@@H]1CCC[N@H+](C[C@H]2CCCO[C@H]2c2ccnn2C)CC1 ZINC001552533077 1074602234 /nfs/dbraw/zinc/60/22/34/1074602234.db2.gz RSTBXSORCICJFX-JFIYKMOQSA-N 1 3 320.481 2.304 20 0 DEADHO CN(C)[C@@H]1CCC[N@@H+](C[C@H]2CCCO[C@H]2c2ccnn2C)CC1 ZINC001552533077 1074602236 /nfs/dbraw/zinc/60/22/36/1074602236.db2.gz RSTBXSORCICJFX-JFIYKMOQSA-N 1 3 320.481 2.304 20 0 DEADHO CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC(=O)C[C@H]1NCc2ccccc21 ZINC001552920290 1074694873 /nfs/dbraw/zinc/69/48/73/1074694873.db2.gz MJMLUIAECAAVCX-IDCNUPLLSA-N 1 3 313.445 2.114 20 0 DEADHO C[C@H]1CN(C(=O)c2cccc3c2CNC3)CCN1c1cc[nH+]cc1 ZINC001552920059 1074695215 /nfs/dbraw/zinc/69/52/15/1074695215.db2.gz QFFVKTMGJVLCNV-AWEZNQCLSA-N 1 3 322.412 2.036 20 0 DEADHO CC1(C)[C@@H]2NCCC[C@@H]2[C@@H]1[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001553022242 1074737355 /nfs/dbraw/zinc/73/73/55/1074737355.db2.gz PVVNFTYGZXZMBZ-FQUUOJAGSA-N 1 3 319.415 2.237 20 0 DEADHO CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001553025717 1074740860 /nfs/dbraw/zinc/74/08/60/1074740860.db2.gz MUVIOPAXQHBANJ-YYHQMBLXSA-N 1 3 306.372 2.463 20 0 DEADHO CN(C)CCN(Cc1ccccc1F)C(=O)NCCC(C)(C)[NH3+] ZINC001647395563 1074912112 /nfs/dbraw/zinc/91/21/12/1074912112.db2.gz VXUMEXGAHVMFCV-UHFFFAOYSA-N 1 3 324.444 2.026 20 0 DEADHO N[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)C12CCC2 ZINC001647439054 1074927449 /nfs/dbraw/zinc/92/74/49/1074927449.db2.gz JSVQYRLQAUBRGS-FVCCEPFGSA-N 1 3 306.372 2.330 20 0 DEADHO N[C@@H]1C[C@H]([NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)C12CCC2 ZINC001647439059 1074927837 /nfs/dbraw/zinc/92/78/37/1074927837.db2.gz JSVQYRLQAUBRGS-NDBYEHHHSA-N 1 3 306.372 2.330 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001649286720 1075019400 /nfs/dbraw/zinc/01/94/00/1075019400.db2.gz PXRWQDJFZYAFAP-HIFRSBDPSA-N 1 3 322.497 2.031 20 0 DEADHO CN(C(=O)NCCC(C)(C)[NH3+])[C@@H]1CCN(Cc2ccccc2)C1 ZINC001650006047 1079353415 /nfs/dbraw/zinc/35/34/15/1079353415.db2.gz QMVOGXUTLWGQRY-MRXNPFEDSA-N 1 3 318.465 2.030 20 0 DEADHO CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001566049937 1075220742 /nfs/dbraw/zinc/22/07/42/1075220742.db2.gz WJZAIFKSZPGGKJ-CVEARBPZSA-N 1 3 318.465 2.313 20 0 DEADHO CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001566049937 1075220746 /nfs/dbraw/zinc/22/07/46/1075220746.db2.gz WJZAIFKSZPGGKJ-CVEARBPZSA-N 1 3 318.465 2.313 20 0 DEADHO CCCCC[N@@H+]1CCC[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001566878282 1075372435 /nfs/dbraw/zinc/37/24/35/1075372435.db2.gz OVKFQSBIFORTRS-SJORKVTESA-N 1 3 309.498 2.347 20 0 DEADHO CCCCC[N@H+]1CCC[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001566878282 1075372440 /nfs/dbraw/zinc/37/24/40/1075372440.db2.gz OVKFQSBIFORTRS-SJORKVTESA-N 1 3 309.498 2.347 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@@H]1CNCCF)[NH+](CC)CC ZINC001566947544 1075395792 /nfs/dbraw/zinc/39/57/92/1075395792.db2.gz AEQHXNYHVLCFIL-CABCVRRESA-N 1 3 301.450 2.047 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCC(F)(F)F)N(C)C ZINC001566952192 1075397874 /nfs/dbraw/zinc/39/78/74/1075397874.db2.gz ZONYYIIVSFBVOK-CHWSQXEVSA-N 1 3 323.403 2.250 20 0 DEADHO O=C(Cc1c[nH]cn1)N1CC[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001567142132 1075443436 /nfs/dbraw/zinc/44/34/36/1075443436.db2.gz PTNINWYXHPXPIL-MRXNPFEDSA-N 1 3 316.449 2.281 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001567150039 1075445724 /nfs/dbraw/zinc/44/57/24/1075445724.db2.gz BHMYMDTWODLTGN-QGZVFWFLSA-N 1 3 309.498 2.347 20 0 DEADHO CCC[NH2+]CCc1ccc(CNC(=O)Cc2nc[nH]c2C)cc1 ZINC001567184444 1075456258 /nfs/dbraw/zinc/45/62/58/1075456258.db2.gz GKSFHAHPXRMEBW-UHFFFAOYSA-N 1 3 314.433 2.119 20 0 DEADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH2+]CC1=CCCCC1 ZINC001567236326 1075470112 /nfs/dbraw/zinc/47/01/12/1075470112.db2.gz HEMNKXFFWUHJPI-ZDUSSCGKSA-N 1 3 304.438 2.245 20 0 DEADHO CN(C)C1(C(=O)N(C)CC[NH2+]CCCc2ccsc2)CCC1 ZINC001481238870 1079450603 /nfs/dbraw/zinc/45/06/03/1079450603.db2.gz HDYYGWRXZPUHTJ-UHFFFAOYSA-N 1 3 323.506 2.213 20 0 DEADHO [NH3+]Cc1cccc(CNCCCS(=O)(=O)c2ccccc2)c1 ZINC001580342836 1075906681 /nfs/dbraw/zinc/90/66/81/1075906681.db2.gz KLEKZMGYGLNEDI-UHFFFAOYSA-N 1 3 318.442 2.099 20 0 DEADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)C12CCC(CC1)[NH2+]2 ZINC001580630961 1075965372 /nfs/dbraw/zinc/96/53/72/1075965372.db2.gz MFPFCNARWDNZIZ-HFCFLWKCSA-N 1 3 313.445 2.224 20 0 DEADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)C12CCC(CC1)[NH2+]2 ZINC001580655464 1075970222 /nfs/dbraw/zinc/97/02/22/1075970222.db2.gz YAPZECGTBAHROW-HFCFLWKCSA-N 1 3 313.445 2.052 20 0 DEADHO OCc1ccc(CC[NH2+]Cc2cc3c(s2)CCNC3)cc1 ZINC001580884521 1076012874 /nfs/dbraw/zinc/01/28/74/1076012874.db2.gz FTKPHLXNDRSFHE-UHFFFAOYSA-N 1 3 302.443 2.218 20 0 DEADHO c1ccc2c(c1)nccc2N1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC001580895609 1076017896 /nfs/dbraw/zinc/01/78/96/1076017896.db2.gz OMJAGOTWTSEJGP-MRXNPFEDSA-N 1 3 310.445 2.356 20 0 DEADHO CC(C)[C@H](CNC(=O)[C@]12C[C@H]1CCCN2)[NH+]1CCC(C)CC1 ZINC001650336170 1079538400 /nfs/dbraw/zinc/53/84/00/1079538400.db2.gz XCCSTBQDBYMTAI-RYRKJORJSA-N 1 3 307.482 2.001 20 0 DEADHO CN(C)Cc1cccc(C(=O)N[C@](C)(C[NH2+]CCF)C2CC2)c1 ZINC001267865140 1079552578 /nfs/dbraw/zinc/55/25/78/1079552578.db2.gz SOWLSHDBAAMPAF-GOSISDBHSA-N 1 3 321.440 2.206 20 0 DEADHO CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H](C(C)C)N(C)C ZINC001484398660 1079586828 /nfs/dbraw/zinc/58/68/28/1079586828.db2.gz HQZCWGGOBPPDSP-KRWDZBQOSA-N 1 3 305.466 2.211 20 0 DEADHO N[C@H](CC(=O)N1CCC2(CCC[C@@H]2C[NH3+])CC1)c1ccccc1 ZINC001650437612 1079623071 /nfs/dbraw/zinc/62/30/71/1079623071.db2.gz HXTKJNYLTKOXRX-IAGOWNOFSA-N 1 3 315.461 2.444 20 0 DEADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001481306302 1079701098 /nfs/dbraw/zinc/70/10/98/1079701098.db2.gz LJEMIBTULCPNHI-INIZCTEOSA-N 1 3 305.466 2.446 20 0 DEADHO CC(C)N(C)CC(=O)NCC1([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CCC1 ZINC001484663003 1079716578 /nfs/dbraw/zinc/71/65/78/1079716578.db2.gz DBNAAMSLZCSCMB-IXDOHACOSA-N 1 3 321.509 2.391 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CC1CC(C)(C)C1 ZINC001481319852 1079716809 /nfs/dbraw/zinc/71/68/09/1079716809.db2.gz PPXNBBWVJQIXIQ-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CCCC1CCC1 ZINC001481320223 1079716886 /nfs/dbraw/zinc/71/68/86/1079716886.db2.gz WZBLLTJICGQOBZ-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CC[C@@H](C(=O)N1CCC(CC)([NH2+]CCCF)CC1)N(C)C ZINC001484818896 1079812181 /nfs/dbraw/zinc/81/21/81/1079812181.db2.gz DQCHQDBPXAQMHU-AWEZNQCLSA-N 1 3 301.450 2.047 20 0 DEADHO Cc1cc(C[NH2+][C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)cs1 ZINC001484909259 1079855449 /nfs/dbraw/zinc/85/54/49/1079855449.db2.gz KCGDJLNLHVTHHF-CJNGLKHVSA-N 1 3 323.506 2.333 20 0 DEADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1CCN(CCF)C1 ZINC001481449641 1079869954 /nfs/dbraw/zinc/86/99/54/1079869954.db2.gz GLEHDVIPJDUVGL-CVEARBPZSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1CCN(CCF)C1 ZINC001481449641 1079869957 /nfs/dbraw/zinc/86/99/57/1079869957.db2.gz GLEHDVIPJDUVGL-CVEARBPZSA-N 1 3 313.461 2.047 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cc(C)ccc2OC)CC1 ZINC000067671486 1079898907 /nfs/dbraw/zinc/89/89/07/1079898907.db2.gz VBUXQMOEXVBJHD-INIZCTEOSA-N 1 3 305.466 2.119 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001481462669 1079910314 /nfs/dbraw/zinc/91/03/14/1079910314.db2.gz UZBMVZYGIRIZCD-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001481462669 1079910322 /nfs/dbraw/zinc/91/03/22/1079910322.db2.gz UZBMVZYGIRIZCD-QGZVFWFLSA-N 1 3 309.498 2.345 20 0 DEADHO C[NH+](C)CCCNC[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001656625463 1080107803 /nfs/dbraw/zinc/10/78/03/1080107803.db2.gz XQACQXSHTNPOCB-LLVKDONJSA-N 1 3 309.401 2.076 20 0 DEADHO CC(C)=CCN1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001268149631 1080119978 /nfs/dbraw/zinc/11/99/78/1080119978.db2.gz DANAKUMFMOJASW-QGZVFWFLSA-N 1 3 307.482 2.409 20 0 DEADHO CC[N@H+](C)CCC(=O)NCC1CN([C@@H]2CCc3ccccc32)C1 ZINC001481653050 1080252170 /nfs/dbraw/zinc/25/21/70/1080252170.db2.gz BFBJSRXBBZOAKD-GOSISDBHSA-N 1 3 315.461 2.064 20 0 DEADHO CC[N@@H+](C)CCC(=O)NCC1CN([C@@H]2CCc3ccccc32)C1 ZINC001481653050 1080252178 /nfs/dbraw/zinc/25/21/78/1080252178.db2.gz BFBJSRXBBZOAKD-GOSISDBHSA-N 1 3 315.461 2.064 20 0 DEADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]C/C=C/Cl)CCC1 ZINC001268278243 1080258405 /nfs/dbraw/zinc/25/84/05/1080258405.db2.gz NEZMVQQMLUZEPG-UXTPFJKYSA-N 1 3 313.873 2.098 20 0 DEADHO CCCCCC[NH+]1CC([C@@H](C)NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001485525369 1080281556 /nfs/dbraw/zinc/28/15/56/1080281556.db2.gz FQWJOLAEPLVYCB-HZPDHXFCSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CCCF ZINC001660475953 1080338100 /nfs/dbraw/zinc/33/81/00/1080338100.db2.gz RGNDPVPKXXLEEK-CABCVRRESA-N 1 3 301.450 2.047 20 0 DEADHO CN(C/C=C\Cl)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001485766231 1080421899 /nfs/dbraw/zinc/42/18/99/1080421899.db2.gz CVAYTFLAAFQLBJ-UMSKNGNOSA-N 1 3 313.873 2.004 20 0 DEADHO CN(C/C=C\Cl)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001485766231 1080421902 /nfs/dbraw/zinc/42/19/02/1080421902.db2.gz CVAYTFLAAFQLBJ-UMSKNGNOSA-N 1 3 313.873 2.004 20 0 DEADHO CC(C)[C@H](C(=O)N[C@@H](C)C1C[NH+](CC2CCCC2)C1)N(C)C ZINC001409923356 1080498405 /nfs/dbraw/zinc/49/84/05/1080498405.db2.gz DVRXGNYHFWNNLJ-WMLDXEAASA-N 1 3 309.498 2.199 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CC)NCc1ccns1 ZINC001481817600 1080523407 /nfs/dbraw/zinc/52/34/07/1080523407.db2.gz YBUUUMITEDLYMG-UKRRQHHQSA-N 1 3 324.494 2.002 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CC)NCc1ccns1 ZINC001481817600 1080523413 /nfs/dbraw/zinc/52/34/13/1080523413.db2.gz YBUUUMITEDLYMG-UKRRQHHQSA-N 1 3 324.494 2.002 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC[C@H](C[NH2+]CC[C@@H](C)F)CC1)N(C)C ZINC001272741424 1080564814 /nfs/dbraw/zinc/56/48/14/1080564814.db2.gz BNUULMWVPJSPDO-KLHDSHLOSA-N 1 3 315.477 2.339 20 0 DEADHO CC(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C(C)(C)N1CCCC1 ZINC001485820714 1080584070 /nfs/dbraw/zinc/58/40/70/1080584070.db2.gz SJGNKDXGWLEYLU-MRXNPFEDSA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CCC1)N(C)C ZINC001663105265 1080699740 /nfs/dbraw/zinc/69/97/40/1080699740.db2.gz SELUQVALKPPINP-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@H+]1CC1CCC1)N(C)C ZINC001663105265 1080699741 /nfs/dbraw/zinc/69/97/41/1080699741.db2.gz SELUQVALKPPINP-SJORKVTESA-N 1 3 309.498 2.488 20 0 DEADHO O=C(CN1CCCC1)N1CCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001482066752 1080774055 /nfs/dbraw/zinc/77/40/55/1080774055.db2.gz KAQRTJNIIZCWST-QGZVFWFLSA-N 1 3 307.482 2.243 20 0 DEADHO C[C@H]([NH2+]C/C=C/CNC(=O)[C@H]1CCCN1C)c1cccc(F)c1 ZINC001268575971 1080791725 /nfs/dbraw/zinc/79/17/25/1080791725.db2.gz RVTFFKXJTMBXJO-LQMLLCQLSA-N 1 3 319.424 2.243 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CC2=CCCCC2)C1)N(C)C ZINC001663633183 1080794838 /nfs/dbraw/zinc/79/48/38/1080794838.db2.gz BLWUXSNGSDDZBO-SJORKVTESA-N 1 3 307.482 2.265 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](CC2=CCCCC2)C1)N(C)C ZINC001663633183 1080794848 /nfs/dbraw/zinc/79/48/48/1080794848.db2.gz BLWUXSNGSDDZBO-SJORKVTESA-N 1 3 307.482 2.265 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCCC1 ZINC001482111573 1080812856 /nfs/dbraw/zinc/81/28/56/1080812856.db2.gz YTILNKLSHLGJKC-WBVHZDCISA-N 1 3 309.498 2.393 20 0 DEADHO CN(CC[NH2+]C/C=C\c1ccccc1)C(=O)CN(C)C1CCC1 ZINC001663986110 1080845461 /nfs/dbraw/zinc/84/54/61/1080845461.db2.gz YNZSHRHDBIYWGG-YFHOEESVSA-N 1 3 315.461 2.232 20 0 DEADHO CC(C)[C@@H](C(=O)NC/C=C/C[NH2+]CC1CCCCC1)N(C)C ZINC001268617786 1080895125 /nfs/dbraw/zinc/89/51/25/1080895125.db2.gz TXZKARNSYSUYEP-IJDCCNJMSA-N 1 3 309.498 2.415 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC[C@@H]1CCCC1(F)F)N(C)C ZINC001268692928 1080937693 /nfs/dbraw/zinc/93/76/93/1080937693.db2.gz OHKCIGXZTPTNAO-MELADBBJSA-N 1 3 319.440 2.246 20 0 DEADHO CC/C=C\CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001664795715 1080961590 /nfs/dbraw/zinc/96/15/90/1080961590.db2.gz BNAKADFRVRWWBD-JEZUCGJFSA-N 1 3 307.482 2.217 20 0 DEADHO CC/C=C\CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001664795715 1080961593 /nfs/dbraw/zinc/96/15/93/1080961593.db2.gz BNAKADFRVRWWBD-JEZUCGJFSA-N 1 3 307.482 2.217 20 0 DEADHO CC(C)=CC[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001664835361 1080968875 /nfs/dbraw/zinc/96/88/75/1080968875.db2.gz FTOJBXBCQXGSCI-SJORKVTESA-N 1 3 307.482 2.075 20 0 DEADHO CC(C)=CC[N@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001664835361 1080968879 /nfs/dbraw/zinc/96/88/79/1080968879.db2.gz FTOJBXBCQXGSCI-SJORKVTESA-N 1 3 307.482 2.075 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+]CCC1CCCC1 ZINC001666655947 1081170758 /nfs/dbraw/zinc/17/07/58/1081170758.db2.gz FNPXVVCHQQWMSO-ZDUSSCGKSA-N 1 3 306.454 2.183 20 0 DEADHO CCCCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1nc[nH]c1C ZINC001667763254 1081287295 /nfs/dbraw/zinc/28/72/95/1081287295.db2.gz HYVBTKKNQRSVTK-CABCVRRESA-N 1 3 306.454 2.325 20 0 DEADHO CCCN(C)CC(=O)NC1(C[NH2+]C/C=C/Cl)CCCC1 ZINC001269588167 1081298352 /nfs/dbraw/zinc/29/83/52/1081298352.db2.gz LVFHBQAANBRCEH-RMKNXTFCSA-N 1 3 301.862 2.099 20 0 DEADHO CCc1cccc(C[NH2+]C/C=C/CNC(=O)CN2CCCC2)c1 ZINC001669189778 1081437301 /nfs/dbraw/zinc/43/73/01/1081437301.db2.gz RJFVSINODNMYRJ-ONEGZZNKSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@H](CNCc1ccccc1F)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482284228 1081514263 /nfs/dbraw/zinc/51/42/63/1081514263.db2.gz WDMQAMBLKISWMA-IIAWOOMASA-N 1 3 321.440 2.102 20 0 DEADHO C[C@H](CNCc1ccccc1F)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482284228 1081514265 /nfs/dbraw/zinc/51/42/65/1081514265.db2.gz WDMQAMBLKISWMA-IIAWOOMASA-N 1 3 321.440 2.102 20 0 DEADHO CC(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001671784959 1081538978 /nfs/dbraw/zinc/53/89/78/1081538978.db2.gz NSJJYDPORFWSDE-SJLPKXTDSA-N 1 3 309.498 2.203 20 0 DEADHO C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CN1Cc1ccccc1 ZINC000717976780 1081854665 /nfs/dbraw/zinc/85/46/65/1081854665.db2.gz JHXVMGJPGKAEQX-HPBDAGMYSA-N 1 3 315.461 2.283 20 0 DEADHO CC[C@H](CNC(=O)CC1CC([NH3+])C1)N1CCc2ccccc2C1 ZINC001648965342 1081959752 /nfs/dbraw/zinc/95/97/52/1081959752.db2.gz NEIBEERHRJJGCW-IUPXNIOVSA-N 1 3 315.461 2.067 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCF)C1 ZINC001266810857 1082361791 /nfs/dbraw/zinc/36/17/91/1082361791.db2.gz DWHQVNZXZBSOND-HOTGVXAUSA-N 1 3 313.461 2.047 20 0 DEADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]C/C=C\Cl)N(C)C ZINC001266870394 1082418391 /nfs/dbraw/zinc/41/83/91/1082418391.db2.gz JGXVYVPTFWEKFH-MHVKHXTKSA-N 1 3 301.862 2.050 20 0 DEADHO CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)CC[C@@H]21 ZINC001482663665 1082442418 /nfs/dbraw/zinc/44/24/18/1082442418.db2.gz BNAWWCYWIVOUCT-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CCCCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)CC[C@@H]21 ZINC001482663665 1082442424 /nfs/dbraw/zinc/44/24/24/1082442424.db2.gz BNAWWCYWIVOUCT-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO C[C@H](CC[NH2+]CCc1ccccc1)NC(=O)CN1CC[C@H](C)C1 ZINC001482871212 1082537941 /nfs/dbraw/zinc/53/79/41/1082537941.db2.gz KLGJCYCAXVRKMF-DLBZAZTESA-N 1 3 317.477 2.055 20 0 DEADHO CC(C)(C(=O)NC/C=C\CNCc1ccsc1)[NH+]1CCCC1 ZINC001483042137 1082644178 /nfs/dbraw/zinc/64/41/78/1082644178.db2.gz FDTDGMAFXSXAOQ-ARJAWSKDSA-N 1 3 321.490 2.385 20 0 DEADHO CC[C@@H](C(=O)NC/C=C/C[NH2+][C@H](C)c1ccc(F)cc1)N(C)C ZINC001483060708 1082678155 /nfs/dbraw/zinc/67/81/55/1082678155.db2.gz OTATWIPVCQMRPX-PALPZSCYSA-N 1 3 321.440 2.489 20 0 DEADHO C[C@H](CNCc1ccccc1Cl)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001483166785 1082786612 /nfs/dbraw/zinc/78/66/12/1082786612.db2.gz OQPAGQFBMWCVDQ-ZIAGYGMSSA-N 1 3 323.868 2.276 20 0 DEADHO C[C@H](CNCc1ccccc1Cl)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001483166785 1082786620 /nfs/dbraw/zinc/78/66/20/1082786620.db2.gz OQPAGQFBMWCVDQ-ZIAGYGMSSA-N 1 3 323.868 2.276 20 0 DEADHO CN1C[C@@H]2CC[C@@H]([NH2+]C3CCN(CCC(F)(F)F)CC3)[C@@H]2C1 ZINC001413191993 1083421892 /nfs/dbraw/zinc/42/18/92/1083421892.db2.gz XELAIWDBYNJHIY-NWANDNLSSA-N 1 3 319.415 2.333 20 0 DEADHO CC1(C)OC[C@H](C[N@@H+]2CCCC3(CN(C4CCCC4)C3)C2)O1 ZINC001276436352 1083433468 /nfs/dbraw/zinc/43/34/68/1083433468.db2.gz NGRMKMCGSNBHIC-INIZCTEOSA-N 1 3 308.466 2.478 20 0 DEADHO CC1(C)OC[C@H](C[N@H+]2CCCC3(CN(C4CCCC4)C3)C2)O1 ZINC001276436352 1083433469 /nfs/dbraw/zinc/43/34/69/1083433469.db2.gz NGRMKMCGSNBHIC-INIZCTEOSA-N 1 3 308.466 2.478 20 0 DEADHO CC/C=C\CCC[N@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001276465945 1083454179 /nfs/dbraw/zinc/45/41/79/1083454179.db2.gz UUVMCFWJBLTJOL-SPCWZHTESA-N 1 3 321.509 2.465 20 0 DEADHO CC/C=C\CCC[N@@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001276465945 1083454189 /nfs/dbraw/zinc/45/41/89/1083454189.db2.gz UUVMCFWJBLTJOL-SPCWZHTESA-N 1 3 321.509 2.465 20 0 DEADHO CN(C)C1(C(=O)N[C@H](C[NH2+]CC2=CCCCC2)C2CC2)CCC1 ZINC001276602751 1083509032 /nfs/dbraw/zinc/50/90/32/1083509032.db2.gz DNJIYOPDUZDQHT-QGZVFWFLSA-N 1 3 319.493 2.456 20 0 DEADHO CN(C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001276765338 1083595159 /nfs/dbraw/zinc/59/51/59/1083595159.db2.gz VQXVEYQYMWHUIW-PMSOLKAFSA-N 1 3 303.494 2.345 20 0 DEADHO CN(C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001276765338 1083595168 /nfs/dbraw/zinc/59/51/68/1083595168.db2.gz VQXVEYQYMWHUIW-PMSOLKAFSA-N 1 3 303.494 2.345 20 0 DEADHO CCC[NH+](CCC)CCCN1CCN(C[C@H](O)C(C)C)CC1 ZINC001253767269 1083595248 /nfs/dbraw/zinc/59/52/48/1083595248.db2.gz BGCBOWAMFLMGND-SFHVURJKSA-N 1 3 313.530 2.133 20 0 DEADHO CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1-n1cncn1)C2 ZINC001276876093 1083658118 /nfs/dbraw/zinc/65/81/18/1083658118.db2.gz ORVSJOXUKLUGSN-SFHVURJKSA-N 1 3 311.433 2.185 20 0 DEADHO CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1-n1cncn1)C2 ZINC001276876093 1083658122 /nfs/dbraw/zinc/65/81/22/1083658122.db2.gz ORVSJOXUKLUGSN-SFHVURJKSA-N 1 3 311.433 2.185 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C)ccc2F)C1 ZINC001490948960 1083969925 /nfs/dbraw/zinc/96/99/25/1083969925.db2.gz APEJXAJQIIALSB-WKILWMFISA-N 1 3 321.440 2.213 20 0 DEADHO c1c[nH]c(CN2CC[C@H]3C[N@H+](CCn4ccnc4)C[C@H]3CC2)c1 ZINC001277544787 1084029028 /nfs/dbraw/zinc/02/90/28/1084029028.db2.gz SIJLVVKCTFRWGF-CALCHBBNSA-N 1 3 313.449 2.055 20 0 DEADHO c1c[nH]c(CN2CC[C@H]3C[N@@H+](CCn4ccnc4)C[C@H]3CC2)c1 ZINC001277544787 1084029033 /nfs/dbraw/zinc/02/90/33/1084029033.db2.gz SIJLVVKCTFRWGF-CALCHBBNSA-N 1 3 313.449 2.055 20 0 DEADHO CN1CCC([NH2+][C@@]23CC[C@@](NCc4cn[nH]c4)(C2)CCC3)CC1 ZINC001277624730 1084064212 /nfs/dbraw/zinc/06/42/12/1084064212.db2.gz HYKNHJRRUMALMD-MSOLQXFVSA-N 1 3 317.481 2.029 20 0 DEADHO CCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCN1C(C)C ZINC001277647587 1084075175 /nfs/dbraw/zinc/07/51/75/1084075175.db2.gz SWZRWRXFKSJXER-IAGOWNOFSA-N 1 3 309.498 2.486 20 0 DEADHO C[C@H](F)CC[N@@H+]1CCC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001491109314 1084083304 /nfs/dbraw/zinc/08/33/04/1084083304.db2.gz HCGWJTVJOIWFGY-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H](F)CC[N@H+]1CCC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001491109314 1084083315 /nfs/dbraw/zinc/08/33/15/1084083315.db2.gz HCGWJTVJOIWFGY-GJZGRUSLSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)CC[C@H](N)C(=O)N1C[C@H](CC[NH3+])Cc2ccccc21 ZINC001649102459 1084117798 /nfs/dbraw/zinc/11/77/98/1084117798.db2.gz DZXPUZCZSHEUDQ-ZBFHGGJFSA-N 1 3 303.450 2.304 20 0 DEADHO CCCCCCN(C)CC(=O)NCCC[NH2+]Cc1cnc(C)o1 ZINC001168606947 1084139664 /nfs/dbraw/zinc/13/96/64/1084139664.db2.gz OUVLFZOWFNOPFP-UHFFFAOYSA-N 1 3 324.469 2.091 20 0 DEADHO CC[C@@H](C(=O)NCC1([NH2+]CCCF)CCCCC1)N(C)C ZINC001115734162 1084172416 /nfs/dbraw/zinc/17/24/16/1084172416.db2.gz ABPUNVHUZSJRRH-AWEZNQCLSA-N 1 3 301.450 2.095 20 0 DEADHO NC(=O)c1cccc(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)c1 ZINC001235239015 1084356497 /nfs/dbraw/zinc/35/64/97/1084356497.db2.gz SBHLQWVUDQXOCJ-KRWDZBQOSA-N 1 3 301.434 2.140 20 0 DEADHO CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001277940485 1084410852 /nfs/dbraw/zinc/41/08/52/1084410852.db2.gz HRJARPXUTUBRTQ-YOEHRIQHSA-N 1 3 313.461 2.190 20 0 DEADHO COc1ccc(CN2C[C@H]3COC[C@@H](C2)C3[NH3+])c2ccccc12 ZINC001235993596 1084583834 /nfs/dbraw/zinc/58/38/34/1084583834.db2.gz RVVKBKWORYSSNZ-RTHVDDQRSA-N 1 3 312.413 2.254 20 0 DEADHO CCOC(=O)c1ccc(CCC[N@@H+]2C[C@H](C)C[C@H](N)C2)cc1 ZINC001236045020 1084597686 /nfs/dbraw/zinc/59/76/86/1084597686.db2.gz RNKWSDLKTIDHHI-PBHICJAKSA-N 1 3 304.434 2.465 20 0 DEADHO CCOC(=O)c1ccc(CCC[N@H+]2C[C@H](C)C[C@H](N)C2)cc1 ZINC001236045020 1084597693 /nfs/dbraw/zinc/59/76/93/1084597693.db2.gz RNKWSDLKTIDHHI-PBHICJAKSA-N 1 3 304.434 2.465 20 0 DEADHO CC(C)[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)N2CCCC2)C12CCC2 ZINC001078695677 1084828638 /nfs/dbraw/zinc/82/86/38/1084828638.db2.gz PWIPPRQTSYLBFB-CABCVRRESA-N 1 3 307.482 2.286 20 0 DEADHO C[C@@H]1[C@H](NC(=O)CCC[NH+](C)C)CCCN1Cc1ccccc1 ZINC001486182156 1085110040 /nfs/dbraw/zinc/11/00/40/1085110040.db2.gz XMAGXDCSFSUXGN-SJLPKXTDSA-N 1 3 317.477 2.498 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCC3)C[C@H]21 ZINC000960174734 1085138907 /nfs/dbraw/zinc/13/89/07/1085138907.db2.gz LMRSZLMNEMBQJH-XWTMOSNGSA-N 1 3 319.493 2.097 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21 ZINC000960174734 1085138913 /nfs/dbraw/zinc/13/89/13/1085138913.db2.gz LMRSZLMNEMBQJH-XWTMOSNGSA-N 1 3 319.493 2.097 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)C1CCC([NH2+]CCF)CC1 ZINC000964438691 1085228810 /nfs/dbraw/zinc/22/88/10/1085228810.db2.gz ZOBCFHLRFWJODW-GPANFISMSA-N 1 3 313.461 2.190 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000961342778 1085697203 /nfs/dbraw/zinc/69/72/03/1085697203.db2.gz RICFKHJZBCVSCZ-ROUUACIJSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000961342778 1085697208 /nfs/dbraw/zinc/69/72/08/1085697208.db2.gz RICFKHJZBCVSCZ-ROUUACIJSA-N 1 3 321.509 2.440 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]C(C)C)C2 ZINC000965933177 1085700814 /nfs/dbraw/zinc/70/08/14/1085700814.db2.gz QZHVRPJTXYGXNS-LMBQMVEXSA-N 1 3 307.482 2.286 20 0 DEADHO CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC000961373578 1085710813 /nfs/dbraw/zinc/71/08/13/1085710813.db2.gz HWIJUFTZZGZOJM-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC000961373578 1085710820 /nfs/dbraw/zinc/71/08/20/1085710820.db2.gz HWIJUFTZZGZOJM-QGZVFWFLSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC000961412569 1085723137 /nfs/dbraw/zinc/72/31/37/1085723137.db2.gz SQQVBHBFGMBNOD-FUHWJXTLSA-N 1 3 321.509 2.299 20 0 DEADHO CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC000961412569 1085723146 /nfs/dbraw/zinc/72/31/46/1085723146.db2.gz SQQVBHBFGMBNOD-FUHWJXTLSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)(C(=O)NC1CC(C[NH2+]CC2CC2)C1)N1CCCCC1 ZINC000961839188 1085874836 /nfs/dbraw/zinc/87/48/36/1085874836.db2.gz OONPPIVVYZWEDU-UHFFFAOYSA-N 1 3 307.482 2.145 20 0 DEADHO Cc1cc(C[NH2+]CC[C@H](C)NC(=O)CN2CC[C@@H](C)C2)cs1 ZINC001273019811 1085980380 /nfs/dbraw/zinc/98/03/80/1085980380.db2.gz ZXUBHZLSKKAMOV-KGLIPLIRSA-N 1 3 323.506 2.383 20 0 DEADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+]Cc1cc(C)ccc1C ZINC001128528856 1086183355 /nfs/dbraw/zinc/18/33/55/1086183355.db2.gz UCQNQKBNBMHDBY-KRWDZBQOSA-N 1 3 323.456 2.189 20 0 DEADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+][C@@H](C)c1ccccc1 ZINC001128543789 1086206625 /nfs/dbraw/zinc/20/66/25/1086206625.db2.gz FUIVRABKVPTOCZ-GOEBONIOSA-N 1 3 309.429 2.133 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1sccc1Cl ZINC001168755153 1086488779 /nfs/dbraw/zinc/48/87/79/1086488779.db2.gz JGFDXQOGXATDQB-UHFFFAOYSA-N 1 3 317.886 2.339 20 0 DEADHO C[C@H]1CCN(CC(=O)N(C)C2CCC([NH2+]CC3CCC3)CC2)C1 ZINC000963902778 1086591533 /nfs/dbraw/zinc/59/15/33/1086591533.db2.gz OIVPMKZQOHUFFI-ZLPCBKJTSA-N 1 3 321.509 2.488 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001168762782 1087196489 /nfs/dbraw/zinc/19/64/89/1087196489.db2.gz IRECHHDOXHSPFV-AWEZNQCLSA-N 1 3 309.429 2.324 20 0 DEADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001168763496 1087421084 /nfs/dbraw/zinc/42/10/84/1087421084.db2.gz OIUQQHUVDDHQAP-UHFFFAOYSA-N 1 3 316.449 2.106 20 0 DEADHO CC(C)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC001114662259 1087836252 /nfs/dbraw/zinc/83/62/52/1087836252.db2.gz GOJFCQNYWJMFCS-FVQHAEBGSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC001114662259 1087836278 /nfs/dbraw/zinc/83/62/78/1087836278.db2.gz GOJFCQNYWJMFCS-FVQHAEBGSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001080329774 1088803949 /nfs/dbraw/zinc/80/39/49/1088803949.db2.gz PUBLCDILBFONDN-LTIDMASMSA-N 1 3 307.482 2.119 20 0 DEADHO CC(C)=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001080329774 1088803966 /nfs/dbraw/zinc/80/39/66/1088803966.db2.gz PUBLCDILBFONDN-LTIDMASMSA-N 1 3 307.482 2.119 20 0 DEADHO CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)C(C)(C)C[NH3+] ZINC000719959469 1089420047 /nfs/dbraw/zinc/42/00/47/1089420047.db2.gz PIHFQWOPJDUOOM-QGZVFWFLSA-N 1 3 317.477 2.484 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC000959878577 1089816496 /nfs/dbraw/zinc/81/64/96/1089816496.db2.gz WDTDWRIRTWHWFY-FVQHAEBGSA-N 1 3 319.493 2.264 20 0 DEADHO CC(C)=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC000959878577 1089816517 /nfs/dbraw/zinc/81/65/17/1089816517.db2.gz WDTDWRIRTWHWFY-FVQHAEBGSA-N 1 3 319.493 2.264 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1ccsc1 ZINC001082742504 1090067515 /nfs/dbraw/zinc/06/75/15/1090067515.db2.gz HWTAWJDBOUCMNB-SQWLQELKSA-N 1 3 321.490 2.026 20 0 DEADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC001082766498 1090074284 /nfs/dbraw/zinc/07/42/84/1090074284.db2.gz AEBHRTJXEMGDFC-JEBQAFNWSA-N 1 3 324.428 2.076 20 0 DEADHO CN(C)C1(C(=O)N(C)C2CC([NH2+]CCC(C)(C)C)C2)CCC1 ZINC001411231536 1091447280 /nfs/dbraw/zinc/44/72/80/1091447280.db2.gz BOUUKKLWQSRKEK-UHFFFAOYSA-N 1 3 309.498 2.486 20 0 DEADHO CC[C@@H](C(=O)N1CCCC[C@H]1CNCCF)[NH+](CC)CC ZINC001275030848 1091520782 /nfs/dbraw/zinc/52/07/82/1091520782.db2.gz AEQHXNYHVLCFIL-GJZGRUSLSA-N 1 3 301.450 2.047 20 0 DEADHO CSCCC[N@H+]1C[C@@H]2CCN(Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275109497 1091564097 /nfs/dbraw/zinc/56/40/97/1091564097.db2.gz GQGPYAVVQXHBEQ-IYBDPMFKSA-N 1 3 308.495 2.307 20 0 DEADHO CSCCC[N@@H+]1C[C@@H]2CCN(Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275109497 1091564105 /nfs/dbraw/zinc/56/41/05/1091564105.db2.gz GQGPYAVVQXHBEQ-IYBDPMFKSA-N 1 3 308.495 2.307 20 0 DEADHO c1coc(CN2CCC3(CC[N@@H+](CCn4ccnc4)C3)CC2)c1 ZINC001275235565 1091627795 /nfs/dbraw/zinc/62/77/95/1091627795.db2.gz CSUGWLIWRUKZND-UHFFFAOYSA-N 1 3 314.433 2.464 20 0 DEADHO c1coc(CN2CCC3(CC[N@H+](CCn4ccnc4)C3)CC2)c1 ZINC001275235565 1091627800 /nfs/dbraw/zinc/62/78/00/1091627800.db2.gz CSUGWLIWRUKZND-UHFFFAOYSA-N 1 3 314.433 2.464 20 0 DEADHO CN(C)CC[N@@H+]1CCC[C@]2(CCCN(Cc3cccn3C)C2)C1 ZINC001275234409 1091629669 /nfs/dbraw/zinc/62/96/69/1091629669.db2.gz QOKNMVDUGCOKRO-IBGZPJMESA-N 1 3 318.509 2.265 20 0 DEADHO CN(C)CC[N@H+]1CCC[C@]2(CCCN(Cc3cccn3C)C2)C1 ZINC001275234409 1091629672 /nfs/dbraw/zinc/62/96/72/1091629672.db2.gz QOKNMVDUGCOKRO-IBGZPJMESA-N 1 3 318.509 2.265 20 0 DEADHO C[C@@H](C[NH2+]C/C=C/c1ccccc1)NC(=O)CN1CC[C@H](C)C1 ZINC001275309624 1091663263 /nfs/dbraw/zinc/66/32/63/1091663263.db2.gz FYSDOWAJQCAYQU-ICHOQEBTSA-N 1 3 315.461 2.136 20 0 DEADHO c1c[nH]c(CN2CC[C@H]3C[N@@H+](Cc4cnoc4)C[C@H]3CC2)c1 ZINC001276253704 1091743985 /nfs/dbraw/zinc/74/39/85/1091743985.db2.gz GNGDLBDWDFPEQX-IYBDPMFKSA-N 1 3 300.406 2.347 20 0 DEADHO c1c[nH]c(CN2CC[C@H]3C[N@H+](Cc4cnoc4)C[C@H]3CC2)c1 ZINC001276253704 1091743991 /nfs/dbraw/zinc/74/39/91/1091743991.db2.gz GNGDLBDWDFPEQX-IYBDPMFKSA-N 1 3 300.406 2.347 20 0 DEADHO CCC[C@@H](COC)N(CCC(=O)OCC)[C@@H](C)CC[NH2+]C ZINC001246889427 1091760478 /nfs/dbraw/zinc/76/04/78/1091760478.db2.gz DRNHOUIFRDNEQZ-GJZGRUSLSA-N 1 3 302.459 2.055 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H](N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC000948766019 1091923930 /nfs/dbraw/zinc/92/39/30/1091923930.db2.gz GIQZKSFVEOGRFP-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H](N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC000948766019 1091923942 /nfs/dbraw/zinc/92/39/42/1091923942.db2.gz GIQZKSFVEOGRFP-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO C[C@H]1CCCN1CC(=O)N(C)[C@@H]1CCC[N@H+](CCCF)CC1 ZINC000948775688 1091931151 /nfs/dbraw/zinc/93/11/51/1091931151.db2.gz OIDDMNSNCCGLNI-JKSUJKDBSA-N 1 3 313.461 2.143 20 0 DEADHO C[C@H]1CCCN1CC(=O)N(C)[C@@H]1CCC[N@@H+](CCCF)CC1 ZINC000948775688 1091931159 /nfs/dbraw/zinc/93/11/59/1091931159.db2.gz OIDDMNSNCCGLNI-JKSUJKDBSA-N 1 3 313.461 2.143 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H](N(C)C(=O)CN2CCC(C)CC2)CC1 ZINC000948887032 1091981132 /nfs/dbraw/zinc/98/11/32/1091981132.db2.gz UXZQYOPXNBFSEU-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)[N@H+]1CCC[C@H](N(C)C(=O)CN2CCC(C)CC2)CC1 ZINC000948887032 1091981137 /nfs/dbraw/zinc/98/11/37/1091981137.db2.gz UXZQYOPXNBFSEU-KRWDZBQOSA-N 1 3 309.498 2.440 20 0 DEADHO CN(C)CC[N@@H+]1CCC[C@]2(CCCN(Cc3ccncc3)C2)C1 ZINC001275888895 1092276610 /nfs/dbraw/zinc/27/66/10/1092276610.db2.gz KZPIFBWWLJCLFG-IBGZPJMESA-N 1 3 316.493 2.321 20 0 DEADHO CN(C)CC[N@H+]1CCC[C@]2(CCCN(Cc3ccncc3)C2)C1 ZINC001275888895 1092276622 /nfs/dbraw/zinc/27/66/22/1092276622.db2.gz KZPIFBWWLJCLFG-IBGZPJMESA-N 1 3 316.493 2.321 20 0 DEADHO C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1CCCCC(F)(F)F ZINC001489287654 1093004232 /nfs/dbraw/zinc/00/42/32/1093004232.db2.gz VECVIXQNMMKYSY-OLZOCXBDSA-N 1 3 323.403 2.250 20 0 DEADHO CN(CC(=O)N1CCC([NH2+]CCC2CC2)CC1)CC(C)(C)C ZINC001202527093 1093628045 /nfs/dbraw/zinc/62/80/45/1093628045.db2.gz XDDGELMJOFIEQC-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO Cc1cc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)cc(C)n1 ZINC001414101696 1151754847 /nfs/dbraw/zinc/75/48/47/1151754847.db2.gz YIINJQDVEXFERU-ROUUACIJSA-N 1 3 303.450 2.166 20 0 DEADHO CCOC(=O)[C@H]1CN(Cc2cc(C)ccc2F)CCC12C[NH2+]C2 ZINC001237429356 1138620777 /nfs/dbraw/zinc/62/07/77/1138620777.db2.gz HBTYRRPRPFLENN-OAHLLOKOSA-N 1 3 320.408 2.109 20 0 DEADHO COc1c(C)cccc1C[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC001237511578 1138662944 /nfs/dbraw/zinc/66/29/44/1138662944.db2.gz RPNVWRGGHAIMAL-UHFFFAOYSA-N 1 3 317.477 2.215 20 0 DEADHO C[C@H](CN1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C)CC(F)(F)F ZINC001278185555 1138820653 /nfs/dbraw/zinc/82/06/53/1138820653.db2.gz VWQZNLRULUKSOE-MELADBBJSA-N 1 3 307.404 2.285 20 0 DEADHO Cc1cccc(NC(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)c1C ZINC001239217186 1138991929 /nfs/dbraw/zinc/99/19/29/1138991929.db2.gz ROWPTPDWLCNJJA-HNNXBMFYSA-N 1 3 316.449 2.299 20 0 DEADHO CC(C)c1ccc(NC(=S)NCCC[NH2+]CCCN)cc1 ZINC001239396696 1139034935 /nfs/dbraw/zinc/03/49/35/1139034935.db2.gz MEMQIDNAXUIUFO-UHFFFAOYSA-N 1 3 308.495 2.425 20 0 DEADHO CN(Cc1ccc(-c2cnn(C3CC[NH2+]CC3)c2)nc1)C1CC1 ZINC001241775454 1139851895 /nfs/dbraw/zinc/85/18/95/1139851895.db2.gz XLZASPZXQXKDMJ-UHFFFAOYSA-N 1 3 311.433 2.464 20 0 DEADHO CC[C@H](F)C[NH2+]CCC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001318928194 1140469432 /nfs/dbraw/zinc/46/94/32/1140469432.db2.gz FDANPEFPVCHLJC-HOTGVXAUSA-N 1 3 315.477 2.293 20 0 DEADHO O[C@@]1(CNCCc2ccc(Oc3ccccc3)cc2)CC[NH2+]C1 ZINC001245982829 1140841411 /nfs/dbraw/zinc/84/14/11/1140841411.db2.gz GROLCVZYAXFRQJ-LJQANCHMSA-N 1 3 312.413 2.335 20 0 DEADHO O[C@]1(C[NH+]2CCC(Cc3cccc(F)c3)CC2)CCCNC1 ZINC001246049734 1140853786 /nfs/dbraw/zinc/85/37/86/1140853786.db2.gz SPBSTUHGIDOFOA-GOSISDBHSA-N 1 3 306.425 2.195 20 0 DEADHO O[C@]1(CN2CCC(Cc3cccc(F)c3)CC2)CCC[NH2+]C1 ZINC001246049734 1140853789 /nfs/dbraw/zinc/85/37/89/1140853789.db2.gz SPBSTUHGIDOFOA-GOSISDBHSA-N 1 3 306.425 2.195 20 0 DEADHO C[C@H]1CC[C@H](NCCSCc2ccc(CN(C)C)o2)C[NH2+]1 ZINC001246081819 1140858627 /nfs/dbraw/zinc/85/86/27/1140858627.db2.gz IHMHTGLOKLGNQM-KBPBESRZSA-N 1 3 311.495 2.305 20 0 DEADHO Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@@H](F)CN2)CCN1 ZINC001246105283 1140861243 /nfs/dbraw/zinc/86/12/43/1140861243.db2.gz CXGHQTXKFBKKMF-AIANPOQGSA-N 1 3 309.404 2.217 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)c3cccc(F)c3)CC2)CCN1 ZINC001246354630 1140887636 /nfs/dbraw/zinc/88/76/36/1140887636.db2.gz XLVYUBGAVXHCAW-CXAGYDPISA-N 1 3 319.424 2.160 20 0 DEADHO COc1ccccc1CN1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246362317 1140888128 /nfs/dbraw/zinc/88/81/28/1140888128.db2.gz OJBBKMRLMCDNQV-KTGAGVNESA-N 1 3 315.461 2.142 20 0 DEADHO Cc1ccc(F)c(CN2CCC(N[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC001246358843 1140888195 /nfs/dbraw/zinc/88/81/95/1140888195.db2.gz JXWBUMZZOKOCRM-QGZVFWFLSA-N 1 3 305.441 2.440 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC2CCN(C(=O)c3ccccc3)CC2)CCN1 ZINC001246371004 1140889623 /nfs/dbraw/zinc/88/96/23/1140889623.db2.gz YZWCRYMVOPPUIH-QAPCUYQASA-N 1 3 315.461 2.269 20 0 DEADHO C[C@H]1C[C@H]([NH2+]CC2(Cc3cccnc3)CCOCC2)CCN1 ZINC001246376000 1140890431 /nfs/dbraw/zinc/89/04/31/1140890431.db2.gz UIGLZQABKPTIDW-DOTOQJQBSA-N 1 3 303.450 2.151 20 0 DEADHO O=C(N[C@H]1CC[C@H]([NH2+]C2CCNCC2)CC1)c1ccccc1F ZINC001246396967 1140893413 /nfs/dbraw/zinc/89/34/13/1140893413.db2.gz QHFDKLCVAUXQBA-HDJSIYSDSA-N 1 3 319.424 2.208 20 0 DEADHO CCN(CC[NH2+]Cc1ccc(F)cc1C)C(=O)[C@H]1CCCN1C ZINC001320694433 1140895954 /nfs/dbraw/zinc/89/59/54/1140895954.db2.gz LNKFKNVDHGOOKU-QGZVFWFLSA-N 1 3 321.440 2.166 20 0 DEADHO CC1(C)C[C@@H](N2C[C@@H](F)[C@@H](N)C2)CC[N@@H+]1Cc1ccccc1 ZINC001246528552 1140935575 /nfs/dbraw/zinc/93/55/75/1140935575.db2.gz YTUJLXLGIWJWIL-BBWFWOEESA-N 1 3 305.441 2.411 20 0 DEADHO CC1(C)C[C@@H](N2C[C@@H](F)[C@@H](N)C2)CC[N@H+]1Cc1ccccc1 ZINC001246528552 1140935593 /nfs/dbraw/zinc/93/55/93/1140935593.db2.gz YTUJLXLGIWJWIL-BBWFWOEESA-N 1 3 305.441 2.411 20 0 DEADHO CCc1ccc(C[C@H](C)N2CCNC3(CC[NH2+]CC3)C2)cc1 ZINC001246594114 1140997734 /nfs/dbraw/zinc/99/77/34/1140997734.db2.gz JBPNYNSBAAFFGJ-INIZCTEOSA-N 1 3 301.478 2.207 20 0 DEADHO CC(C)CC[C@H](C)N1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001246670801 1141030437 /nfs/dbraw/zinc/03/04/37/1141030437.db2.gz XUEZVIFCEMRTHX-INIZCTEOSA-N 1 3 322.497 2.285 20 0 DEADHO c1ccc(OC[C@@]23CCC[C@@H]2C[N@@H+]([C@@H]2CCCNC2)C3)nc1 ZINC001246727625 1141046601 /nfs/dbraw/zinc/04/66/01/1141046601.db2.gz QXPIVPWSPJKYOX-NUJGCVRESA-N 1 3 301.434 2.315 20 0 DEADHO c1ccc(OC[C@@]23CCC[C@@H]2C[N@H+]([C@@H]2CCCNC2)C3)nc1 ZINC001246727625 1141046611 /nfs/dbraw/zinc/04/66/11/1141046611.db2.gz QXPIVPWSPJKYOX-NUJGCVRESA-N 1 3 301.434 2.315 20 0 DEADHO CCCC[C@H]1C[C@@H](N2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)CC[NH2+]1 ZINC001246775657 1141056333 /nfs/dbraw/zinc/05/63/33/1141056333.db2.gz RGDQFZYNUPBMEQ-LTFXXXRZSA-N 1 3 322.493 2.423 20 0 DEADHO CC(C)(C)[C@H]1C[C@H](N2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)CC[NH2+]1 ZINC001246777745 1141057199 /nfs/dbraw/zinc/05/71/99/1141057199.db2.gz VVHQLPAQAZOQKC-CWQOZTLDSA-N 1 3 322.493 2.279 20 0 DEADHO CN(Cc1ccccc1F)C1CCN([C@@H]2CCC[NH2+]C2)CC1 ZINC001246908302 1141118105 /nfs/dbraw/zinc/11/81/05/1141118105.db2.gz GZLSQNHANFWLBD-QGZVFWFLSA-N 1 3 305.441 2.474 20 0 DEADHO COC(=O)[C@@H]1CN([C@@H]2CC[NH2+][C@H](C)C2)C[C@@H]1c1ccccc1 ZINC001246983321 1141214504 /nfs/dbraw/zinc/21/45/04/1141214504.db2.gz HNKAFPQRCLEIRY-MWQQHZPXSA-N 1 3 302.418 2.016 20 0 DEADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NCc1ccnn1-c1ccncc1 ZINC001414069307 1141315822 /nfs/dbraw/zinc/31/58/22/1141315822.db2.gz BKFPYOORBIDBAB-HOTGVXAUSA-N 1 3 313.449 2.477 20 0 DEADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NCc1ccnn1-c1ccncc1 ZINC001414069307 1141315828 /nfs/dbraw/zinc/31/58/28/1141315828.db2.gz BKFPYOORBIDBAB-HOTGVXAUSA-N 1 3 313.449 2.477 20 0 DEADHO FC(F)(F)c1ccccc1-c1noc([C@@H]2CNCC23C[NH2+]C3)n1 ZINC001247828674 1141542286 /nfs/dbraw/zinc/54/22/86/1141542286.db2.gz FAEDDQUKKDHJRL-NSHDSACASA-N 1 3 324.306 2.032 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]C/C=C/Cl ZINC001322372871 1141547587 /nfs/dbraw/zinc/54/75/87/1141547587.db2.gz UXKJRRKXWRQEJM-QFVHEQCKSA-N 1 3 324.856 2.278 20 0 DEADHO CN(C)C1(C(=O)N(C)CCC[NH2+]CC=C(Cl)Cl)CCC1 ZINC001322544814 1141624833 /nfs/dbraw/zinc/62/48/33/1141624833.db2.gz YUJZVNHOZOUYOJ-UHFFFAOYSA-N 1 3 322.280 2.228 20 0 DEADHO Cc1cc(N2CCN(C[C@@](C)(O)c3ccccc3)CC2)cc[nH+]1 ZINC001253105402 1142844361 /nfs/dbraw/zinc/84/43/61/1142844361.db2.gz JPQKOVQPHMMQPV-LJQANCHMSA-N 1 3 311.429 2.420 20 0 DEADHO CCN(CC)C[C@@H](O)C[N@H+](C1CCCC1)C1CCN(C)CC1 ZINC001253192670 1142851742 /nfs/dbraw/zinc/85/17/42/1142851742.db2.gz WPMCHRPFTSEZPP-GOSISDBHSA-N 1 3 311.514 2.028 20 0 DEADHO CCN(CC)C[C@@H](O)C[N@@H+](C1CCCC1)C1CCN(C)CC1 ZINC001253192670 1142851743 /nfs/dbraw/zinc/85/17/43/1142851743.db2.gz WPMCHRPFTSEZPP-GOSISDBHSA-N 1 3 311.514 2.028 20 0 DEADHO CC[NH+](CC)C[C@H](O)CNCCc1c(C)[nH]c2ccccc21 ZINC001253204295 1142853652 /nfs/dbraw/zinc/85/36/52/1142853652.db2.gz PNOHCMJYIWGHFY-OAHLLOKOSA-N 1 3 303.450 2.311 20 0 DEADHO CCN(CC)C[C@@H](O)C[NH2+][C@H](C)COc1c(C)cccc1C ZINC001253208145 1142854163 /nfs/dbraw/zinc/85/41/63/1142854163.db2.gz NLSCOLRJUBJGBZ-SJORKVTESA-N 1 3 308.466 2.363 20 0 DEADHO CC[NH+](CC)C[C@H](O)CNCC1(Cc2ccc(F)cc2)CC1 ZINC001253214307 1142855504 /nfs/dbraw/zinc/85/55/04/1142855504.db2.gz ZJABWYGWPKMZLH-QGZVFWFLSA-N 1 3 308.441 2.441 20 0 DEADHO Cc1ccc(OC[C@H](O)C[NH2+]CCCN2CCC(C)CC2)cc1 ZINC001253839428 1142978771 /nfs/dbraw/zinc/97/87/71/1142978771.db2.gz UMZVAWWTGMJUPG-GOSISDBHSA-N 1 3 320.477 2.446 20 0 DEADHO COCC[N@H+](CC1(O)CCN(Cc2ccccc2)CC1)C(C)C ZINC001254037347 1143030010 /nfs/dbraw/zinc/03/00/10/1143030010.db2.gz ONCXIHCPPSXDOB-UHFFFAOYSA-N 1 3 320.477 2.370 20 0 DEADHO COCC[N@@H+](CC1(O)CCN(Cc2ccccc2)CC1)C(C)C ZINC001254037347 1143030019 /nfs/dbraw/zinc/03/00/19/1143030019.db2.gz ONCXIHCPPSXDOB-UHFFFAOYSA-N 1 3 320.477 2.370 20 0 DEADHO NCCC[NH2+]CCCCn1cc(-c2cccc3cccnc32)nn1 ZINC001254162827 1143051084 /nfs/dbraw/zinc/05/10/84/1143051084.db2.gz HNJUJIGAPZLKOP-UHFFFAOYSA-N 1 3 324.432 2.212 20 0 DEADHO CN1CCC[C@@H]([NH2+]Cc2ccc(OC3CCOCC3)nc2)CC1 ZINC001254499795 1143140602 /nfs/dbraw/zinc/14/06/02/1143140602.db2.gz ATJLFZYILYTHRG-MRXNPFEDSA-N 1 3 319.449 2.213 20 0 DEADHO CCOC(=O)[C@@H](C[NH2+][C@@H]1CCCN(C)CC1)c1ccccc1 ZINC001254508440 1143155469 /nfs/dbraw/zinc/15/54/69/1143155469.db2.gz JAANIDAFJSZXSI-SJORKVTESA-N 1 3 304.434 2.407 20 0 DEADHO CCOC(=O)[C@@H](CN[C@@H]1CCC[N@H+](C)CC1)c1ccccc1 ZINC001254508440 1143155507 /nfs/dbraw/zinc/15/55/07/1143155507.db2.gz JAANIDAFJSZXSI-SJORKVTESA-N 1 3 304.434 2.407 20 0 DEADHO CCOC(=O)[C@@H](CN[C@@H]1CCC[N@@H+](C)CC1)c1ccccc1 ZINC001254508440 1143155549 /nfs/dbraw/zinc/15/55/49/1143155549.db2.gz JAANIDAFJSZXSI-SJORKVTESA-N 1 3 304.434 2.407 20 0 DEADHO COCCOc1ccc(C[NH2+][C@@H]2CCCN(C)CC2)cc1OC ZINC001254511705 1143166631 /nfs/dbraw/zinc/16/66/31/1143166631.db2.gz DBMOMCBOIIUNKC-MRXNPFEDSA-N 1 3 322.449 2.294 20 0 DEADHO COc1cc(OC2CCN([C@@H]3CCC[N@H+](C)CC3)CC2)ccn1 ZINC001254534562 1143236078 /nfs/dbraw/zinc/23/60/78/1143236078.db2.gz XBUYQTFFCSIXOC-OAHLLOKOSA-N 1 3 319.449 2.418 20 0 DEADHO COc1cc(OC2CCN([C@@H]3CCC[N@@H+](C)CC3)CC2)ccn1 ZINC001254534562 1143236096 /nfs/dbraw/zinc/23/60/96/1143236096.db2.gz XBUYQTFFCSIXOC-OAHLLOKOSA-N 1 3 319.449 2.418 20 0 DEADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCN(CC)CC)C2 ZINC001255181503 1143474515 /nfs/dbraw/zinc/47/45/15/1143474515.db2.gz YJXLWLJPRNVCQJ-PHZGNYQRSA-N 1 3 311.470 2.460 20 0 DEADHO CC1(C)C(=O)NC[C@@H]1N[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255397274 1143595924 /nfs/dbraw/zinc/59/59/24/1143595924.db2.gz NXVHIIARPAQBQY-SJORKVTESA-N 1 3 315.461 2.155 20 0 DEADHO CC1(C)C(=O)NC[C@@H]1N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255397274 1143595932 /nfs/dbraw/zinc/59/59/32/1143595932.db2.gz NXVHIIARPAQBQY-SJORKVTESA-N 1 3 315.461 2.155 20 0 DEADHO CC[NH+](CC)CC[C@@H](C)N[C@H]1CCCN(c2ccncn2)C1 ZINC001255953524 1143816723 /nfs/dbraw/zinc/81/67/23/1143816723.db2.gz LGMXASQILDOZKD-CVEARBPZSA-N 1 3 305.470 2.155 20 0 DEADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCN(C(=O)C(F)(F)F)CC2)C1 ZINC001255977566 1143818656 /nfs/dbraw/zinc/81/86/56/1143818656.db2.gz OYYKIGXYVCPTCA-STQMWFEESA-N 1 3 321.387 2.002 20 0 DEADHO Cc1nc2c(n1C1CCN(Cc3ccncc3)CC1)C[NH2+]CC2 ZINC001256594380 1143856399 /nfs/dbraw/zinc/85/63/99/1143856399.db2.gz UJSLEUWCACWCMZ-UHFFFAOYSA-N 1 3 311.433 2.069 20 0 DEADHO c1cc(CCC[NH2+]C2CCC(N3CCOCC3)CC2)ccn1 ZINC001256678175 1143861376 /nfs/dbraw/zinc/86/13/76/1143861376.db2.gz MBHUXUFDUSTGOJ-UHFFFAOYSA-N 1 3 303.450 2.247 20 0 DEADHO OC[C@@H]([NH2+]C1CCC(N2CCOCC2)CC1)C1CCCCC1 ZINC001256683303 1143862013 /nfs/dbraw/zinc/86/20/13/1143862013.db2.gz WFHFQEOIKPXMKG-DAWZGUTISA-N 1 3 310.482 2.161 20 0 DEADHO OC[C@@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1cccs1 ZINC001256682790 1143862167 /nfs/dbraw/zinc/86/21/67/1143862167.db2.gz QKOVWLPRPFWHMY-YMAMQOFZSA-N 1 3 310.463 2.015 20 0 DEADHO c1ccc(N2CCN(C3CCN(c4cc[nH+]cc4)CC3)CC2)nc1 ZINC001256855524 1143871136 /nfs/dbraw/zinc/87/11/36/1143871136.db2.gz NUSJAHXEQQZTME-UHFFFAOYSA-N 1 3 323.444 2.268 20 0 DEADHO CC(C)N1CCN(CC[NH2+][C@H]2CCCN(C3CCCC3)C2)CC1 ZINC001256902113 1143873782 /nfs/dbraw/zinc/87/37/82/1143873782.db2.gz PNBYGTVZDCVACM-SFHVURJKSA-N 1 3 322.541 2.009 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C[NH2+]CCCF)C(C)(C)C)N(C)C ZINC001279020675 1143933611 /nfs/dbraw/zinc/93/36/11/1143933611.db2.gz AAQGADAEYOESKJ-ZIAGYGMSSA-N 1 3 303.466 2.053 20 0 DEADHO C[C@@H]1CCC[C@@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)C1 ZINC001258825825 1144045023 /nfs/dbraw/zinc/04/50/23/1144045023.db2.gz YOJPAWSRJGHHIS-DZVNLGKHSA-N 1 3 317.481 2.251 20 0 DEADHO C[C@@H]1CCC[C@@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)C1 ZINC001258825825 1144045026 /nfs/dbraw/zinc/04/50/26/1144045026.db2.gz YOJPAWSRJGHHIS-DZVNLGKHSA-N 1 3 317.481 2.251 20 0 DEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cn(CC)nc2C)[C@H](C)C1 ZINC001262360422 1144309271 /nfs/dbraw/zinc/30/92/71/1144309271.db2.gz GGIPZSBDIHJPFV-CRAIPNDOSA-N 1 3 322.497 2.438 20 0 DEADHO CC(C)C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001263954845 1144431673 /nfs/dbraw/zinc/43/16/73/1144431673.db2.gz CVZDEFPEAHSZCI-ZBFHGGJFSA-N 1 3 306.454 2.215 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]C/C=C/Cl ZINC001264564548 1144567173 /nfs/dbraw/zinc/56/71/73/1144567173.db2.gz WJZJDLNJOWRVEU-ZWXLGZMVSA-N 1 3 315.889 2.297 20 0 DEADHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1CCC[NH2+]CC1CC1 ZINC001264577649 1144570044 /nfs/dbraw/zinc/57/00/44/1144570044.db2.gz IUXGEFIAYTXMTE-RHSMWYFYSA-N 1 3 318.465 2.359 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1)N(C)C ZINC001265544221 1144710670 /nfs/dbraw/zinc/71/06/70/1144710670.db2.gz FQLSDQXABZVRRR-IXDOHACOSA-N 1 3 307.482 2.454 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCCF ZINC001265691147 1144729064 /nfs/dbraw/zinc/72/90/64/1144729064.db2.gz FTTHHMSEYHEHAC-CVEARBPZSA-N 1 3 313.461 2.191 20 0 DEADHO CC[N@@H+]1CCN(C(=O)NC[C@H](c2ccsc2)N(C)C)[C@H](C)C1 ZINC001364199899 1145074323 /nfs/dbraw/zinc/07/43/23/1145074323.db2.gz HUIOBLDNUPTDHT-UKRRQHHQSA-N 1 3 324.494 2.086 20 0 DEADHO CC[N@H+]1CCN(C(=O)NC[C@H](c2ccsc2)N(C)C)[C@H](C)C1 ZINC001364199899 1145074327 /nfs/dbraw/zinc/07/43/27/1145074327.db2.gz HUIOBLDNUPTDHT-UKRRQHHQSA-N 1 3 324.494 2.086 20 0 DEADHO CC(C)=CC[NH2+][C@@H](CCN(C)C(=O)Cc1c[nH]cn1)C(C)C ZINC001282569045 1145087952 /nfs/dbraw/zinc/08/79/52/1145087952.db2.gz RBEUAKNBXKLRLH-INIZCTEOSA-N 1 3 306.454 2.381 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCCC[C@]23CCCOC3)CC1 ZINC001364542089 1145327331 /nfs/dbraw/zinc/32/73/31/1145327331.db2.gz XAFREUHWTQVXQR-LJQANCHMSA-N 1 3 323.525 2.438 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCCC[C@]23CCCOC3)CC1 ZINC001364542089 1145327338 /nfs/dbraw/zinc/32/73/38/1145327338.db2.gz XAFREUHWTQVXQR-LJQANCHMSA-N 1 3 323.525 2.438 20 0 DEADHO Cc1ccsc1CNC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001364590144 1145365403 /nfs/dbraw/zinc/36/54/03/1145365403.db2.gz UOYWASJBILUTLT-UHFFFAOYSA-N 1 3 309.479 2.089 20 0 DEADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(O[C@H]4CCOC4)cc3)[C@H]2C1 ZINC001364930306 1145686862 /nfs/dbraw/zinc/68/68/62/1145686862.db2.gz HMPOTECPNSEZAQ-WNHJNPCNSA-N 1 3 316.445 2.284 20 0 DEADHO CC[C@H](F)CN[C@H]1CN(C(=O)CCCC[NH+](C)C)CC1(C)C ZINC001284345656 1145839795 /nfs/dbraw/zinc/83/97/95/1145839795.db2.gz BWTFBFKVHPXSCA-GJZGRUSLSA-N 1 3 315.477 2.293 20 0 DEADHO CCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC001365418978 1145868037 /nfs/dbraw/zinc/86/80/37/1145868037.db2.gz RQGYOBLVSMCDTN-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO CCC[N@H+]1CC[C@@H](NC(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC001365418978 1145868039 /nfs/dbraw/zinc/86/80/39/1145868039.db2.gz RQGYOBLVSMCDTN-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)c1ccnn1C ZINC001365612372 1145911803 /nfs/dbraw/zinc/91/18/03/1145911803.db2.gz AXTXKNJJLIASBP-HPUBIQBYSA-N 1 3 306.454 2.104 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CC(C)(C)C3)C2)CCC1 ZINC001365813836 1146017910 /nfs/dbraw/zinc/01/79/10/1146017910.db2.gz OTZWMJVGWGZRBB-FZNQNYSPSA-N 1 3 321.509 2.391 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1)N(C)C ZINC001365971781 1146959834 /nfs/dbraw/zinc/95/98/34/1146959834.db2.gz BSQGALVJXMGUIC-JKSUJKDBSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1)N(C)C ZINC001365971781 1146959854 /nfs/dbraw/zinc/95/98/54/1146959854.db2.gz BSQGALVJXMGUIC-JKSUJKDBSA-N 1 3 309.498 2.199 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@@H]([NH2+]CC1CCCC1)C1CC1)N(C)C ZINC001366072424 1147040107 /nfs/dbraw/zinc/04/01/07/1147040107.db2.gz XJZJLIUSJZLCPR-IAGOWNOFSA-N 1 3 309.498 2.247 20 0 DEADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+]Cc1cc(F)ccc1C ZINC001366347077 1147226438 /nfs/dbraw/zinc/22/64/38/1147226438.db2.gz OEFOHSPBSQXHIO-AWEZNQCLSA-N 1 3 309.429 2.070 20 0 DEADHO C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)NC/C=C/Cl ZINC001366371474 1147240120 /nfs/dbraw/zinc/24/01/20/1147240120.db2.gz WWFJEERHSODCQI-OWNNVSBGSA-N 1 3 301.862 2.099 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](C)[C@H]1CCc2c1cccc2F)N(C)C ZINC001366564547 1147357376 /nfs/dbraw/zinc/35/73/76/1147357376.db2.gz VPNMEBWDJJSMDT-IRXDYDNUSA-N 1 3 321.440 2.201 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](C)[C@H]1CCc2c1cccc2F)N(C)C ZINC001366564547 1147357379 /nfs/dbraw/zinc/35/73/79/1147357379.db2.gz VPNMEBWDJJSMDT-IRXDYDNUSA-N 1 3 321.440 2.201 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1)N(C)C ZINC001366701224 1147493437 /nfs/dbraw/zinc/49/34/37/1147493437.db2.gz JNRPMNQVJABORV-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1)N(C)C ZINC001366701224 1147493448 /nfs/dbraw/zinc/49/34/48/1147493448.db2.gz JNRPMNQVJABORV-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001366846314 1147591910 /nfs/dbraw/zinc/59/19/10/1147591910.db2.gz OQQMOFWKRZAQEH-RHSMWYFYSA-N 1 3 313.461 2.047 20 0 DEADHO CC[N@H+]1CC[C@@H](CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001366846314 1147591912 /nfs/dbraw/zinc/59/19/12/1147591912.db2.gz OQQMOFWKRZAQEH-RHSMWYFYSA-N 1 3 313.461 2.047 20 0 DEADHO CCCC[N@H+](C)CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001316850928 1147615509 /nfs/dbraw/zinc/61/55/09/1147615509.db2.gz LOSWNRNRFBZWQV-KRWDZBQOSA-N 1 3 315.477 2.437 20 0 DEADHO CCCC[N@@H+](C)CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001316850928 1147615511 /nfs/dbraw/zinc/61/55/11/1147615511.db2.gz LOSWNRNRFBZWQV-KRWDZBQOSA-N 1 3 315.477 2.437 20 0 DEADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1C)N(C)C ZINC001367297565 1147675311 /nfs/dbraw/zinc/67/53/11/1147675311.db2.gz YVUFWDHHMAVJSZ-YOEHRIQHSA-N 1 3 305.466 2.177 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001317243384 1147681968 /nfs/dbraw/zinc/68/19/68/1147681968.db2.gz XCHFKLXIXPAROL-NVXWUHKLSA-N 1 3 307.482 2.454 20 0 DEADHO CC(C)CCC[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001317322658 1147690678 /nfs/dbraw/zinc/69/06/78/1147690678.db2.gz MZPXIBAOTVUEMU-INIZCTEOSA-N 1 3 309.498 2.345 20 0 DEADHO CN(CC[N@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)CN(C)C1CCC1 ZINC001367516796 1147707501 /nfs/dbraw/zinc/70/75/01/1147707501.db2.gz TYUBBDTXFQMECE-IXDOHACOSA-N 1 3 321.509 2.297 20 0 DEADHO CN(CC[N@@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)CN(C)C1CCC1 ZINC001367516796 1147707502 /nfs/dbraw/zinc/70/75/02/1147707502.db2.gz TYUBBDTXFQMECE-IXDOHACOSA-N 1 3 321.509 2.297 20 0 DEADHO Cc1ccc(F)c(CNC[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001367692795 1147727982 /nfs/dbraw/zinc/72/79/82/1147727982.db2.gz UMFASNRWIPDOQW-CQSZACIVSA-N 1 3 321.440 2.070 20 0 DEADHO Cc1cccc(C)c1C[NH2+]CCN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001317652276 1147739004 /nfs/dbraw/zinc/73/90/04/1147739004.db2.gz IWAQYSZAVMCLEE-SFHVURJKSA-N 1 3 319.493 2.438 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CC1CC2(CCC2)C1 ZINC001317663019 1147740532 /nfs/dbraw/zinc/74/05/32/1147740532.db2.gz BLSYKWYHJYCNJB-QGZVFWFLSA-N 1 3 321.509 2.489 20 0 DEADHO CCCCCC[NH+]1CC(CNC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001318176063 1147791407 /nfs/dbraw/zinc/79/14/07/1147791407.db2.gz HRBTXOOIGXOURA-IYBDPMFKSA-N 1 3 309.498 2.488 20 0 DEADHO Clc1cccc2c1SCC[C@H]2NCCN1CC[NH2+]CC1 ZINC000423200470 230470967 /nfs/dbraw/zinc/47/09/67/230470967.db2.gz FTLCNTQPXLPZHC-CQSZACIVSA-N 1 3 311.882 2.372 20 0 DEADHO [NH3+][C@H](CCC(=O)N[C@@H]1CNCCC1(F)F)CC1CCCCC1 ZINC000424192881 230605538 /nfs/dbraw/zinc/60/55/38/230605538.db2.gz PYPRATXYQBQZLS-ZIAGYGMSSA-N 1 3 317.424 2.178 20 0 DEADHO Cc1cc(Cl)cc(C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000152680724 282151182 /nfs/dbraw/zinc/15/11/82/282151182.db2.gz AZKDEQOFCLFUGB-UHFFFAOYSA-N 1 3 311.857 2.214 20 0 DEADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+]C[C@@H]2CCSC2)C1 ZINC000278686391 214325753 /nfs/dbraw/zinc/32/57/53/214325753.db2.gz IKODXHAKHQNUQQ-WMLDXEAASA-N 1 3 306.475 2.096 20 0 DEADHO CCNC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000278233393 214038830 /nfs/dbraw/zinc/03/88/30/214038830.db2.gz KLNCWIJMSQVDAL-LEUOFYLZSA-N 1 3 315.461 2.296 20 0 DEADHO CCc1ccccc1[C@H](N)CNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000417828763 529613518 /nfs/dbraw/zinc/61/35/18/529613518.db2.gz HQPLKLSPLGBTDF-QILLFSRXSA-N 1 3 317.477 2.391 20 0 DEADHO CC[C@H](C)CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000422203419 529661163 /nfs/dbraw/zinc/66/11/63/529661163.db2.gz IIAUHWNXYVQMRE-JKSUJKDBSA-N 1 3 312.502 2.090 20 0 DEADHO CC[C@H](C)CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000422203419 529661164 /nfs/dbraw/zinc/66/11/64/529661164.db2.gz IIAUHWNXYVQMRE-JKSUJKDBSA-N 1 3 312.502 2.090 20 0 DEADHO Cc1cccc(C[NH2+][C@@H](C)CNC(=O)C(C)(C)N2CCCC2)c1 ZINC001480516008 1151836949 /nfs/dbraw/zinc/83/69/49/1151836949.db2.gz KRSPXEVWEZKGAG-INIZCTEOSA-N 1 3 317.477 2.464 20 0 DEADHO CN(CC[C@@H](O)c1ccccc1)CC[N@H+](C)C1CCN(C)CC1 ZINC000299640709 529929023 /nfs/dbraw/zinc/92/90/23/529929023.db2.gz KLGYDYVHRJNYRW-LJQANCHMSA-N 1 3 319.493 2.068 20 0 DEADHO CN(CC[C@@H](O)c1ccccc1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000299640709 529929025 /nfs/dbraw/zinc/92/90/25/529929025.db2.gz KLGYDYVHRJNYRW-LJQANCHMSA-N 1 3 319.493 2.068 20 0 DEADHO NC[C@H](NC(=O)CC1CC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000193416833 282350589 /nfs/dbraw/zinc/35/05/89/282350589.db2.gz RRXJCHGWDKWXLN-SFHVURJKSA-N 1 3 311.429 2.346 20 0 DEADHO CN1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH2+]2)[C@@H]1c1cccs1 ZINC000237116314 282374686 /nfs/dbraw/zinc/37/46/86/282374686.db2.gz UZNUYOPTMRPOCU-OFQRWUPVSA-N 1 3 321.490 2.389 20 0 DEADHO CN1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C(C)(C)C1 ZINC000093457214 539430534 /nfs/dbraw/zinc/43/05/34/539430534.db2.gz UDFQWWWCSJTFRR-UHFFFAOYSA-N 1 3 305.466 2.153 20 0 DEADHO CCCNC(=O)CCN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340193316 535049063 /nfs/dbraw/zinc/04/90/63/535049063.db2.gz YSLKBYWHSQRUGM-SJORKVTESA-N 1 3 303.450 2.328 20 0 DEADHO CCCNC(=O)CCN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340193316 535049067 /nfs/dbraw/zinc/04/90/67/535049067.db2.gz YSLKBYWHSQRUGM-SJORKVTESA-N 1 3 303.450 2.328 20 0 DEADHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)C[C@H]1CCNC(=O)CC1 ZINC000626063551 366033975 /nfs/dbraw/zinc/03/39/75/366033975.db2.gz HTOYDTWHZXHSHX-GOSISDBHSA-N 1 3 317.477 2.486 20 0 DEADHO CC[N@H+](Cc1ccc(CN(C)C)cc1)C[C@H]1CCNC(=O)CC1 ZINC000626063551 366033980 /nfs/dbraw/zinc/03/39/80/366033980.db2.gz HTOYDTWHZXHSHX-GOSISDBHSA-N 1 3 317.477 2.486 20 0 DEADHO [NH3+]CCCCC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000309754173 539879021 /nfs/dbraw/zinc/87/90/21/539879021.db2.gz WRQDTBZWNMIROF-QGZVFWFLSA-N 1 3 303.450 2.144 20 0 DEADHO CC[NH+](CC)C[C@@H](C)NC(=O)N(CCN(C)C)C1CCCC1 ZINC000344133894 540009921 /nfs/dbraw/zinc/00/99/21/540009921.db2.gz MFHLPFIIVNCTQX-OAHLLOKOSA-N 1 3 312.502 2.233 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000236787150 202008694 /nfs/dbraw/zinc/00/86/94/202008694.db2.gz FTTMIMMAQAVAGU-DOTOQJQBSA-N 1 3 303.450 2.171 20 0 DEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000236787150 202008698 /nfs/dbraw/zinc/00/86/98/202008698.db2.gz FTTMIMMAQAVAGU-DOTOQJQBSA-N 1 3 303.450 2.171 20 0 DEADHO C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC(CC[NH+](C)C)CC1 ZINC000056525126 354535953 /nfs/dbraw/zinc/53/59/53/354535953.db2.gz BGUKRLDTLDPWRQ-IYBDPMFKSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063702419 354652875 /nfs/dbraw/zinc/65/28/75/354652875.db2.gz GXBXRAMLECLUJO-SFHVURJKSA-N 1 3 317.477 2.355 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000063702419 354652876 /nfs/dbraw/zinc/65/28/76/354652876.db2.gz GXBXRAMLECLUJO-SFHVURJKSA-N 1 3 317.477 2.355 20 0 DEADHO CCC[NH+]1CCC(NC(=O)NC[C@H](C)N2CCC(C)CC2)CC1 ZINC000073897758 354990504 /nfs/dbraw/zinc/99/05/04/354990504.db2.gz PNOHQNZEFKIIHD-INIZCTEOSA-N 1 3 324.513 2.280 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000074298081 355020447 /nfs/dbraw/zinc/02/04/47/355020447.db2.gz QVZUUIRRXFGXTE-IAGOWNOFSA-N 1 3 307.482 2.051 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000074298081 355020451 /nfs/dbraw/zinc/02/04/51/355020451.db2.gz QVZUUIRRXFGXTE-IAGOWNOFSA-N 1 3 307.482 2.051 20 0 DEADHO CN1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC000352807900 283072663 /nfs/dbraw/zinc/07/26/63/283072663.db2.gz XIEQFIMUEIYUON-SOLBZPMBSA-N 1 3 319.493 2.194 20 0 DEADHO CN1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC000352807900 283072664 /nfs/dbraw/zinc/07/26/64/283072664.db2.gz XIEQFIMUEIYUON-SOLBZPMBSA-N 1 3 319.493 2.194 20 0 DEADHO CN(C)Cc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000073543302 191325917 /nfs/dbraw/zinc/32/59/17/191325917.db2.gz WISKHFQZWVXISY-UHFFFAOYSA-N 1 3 303.450 2.354 20 0 DEADHO C[C@@H](CNC(=O)NCCN1CCCCC1)[N@@H+]1CCCC[C@H]1C ZINC000078988508 355290372 /nfs/dbraw/zinc/29/03/72/355290372.db2.gz JRBRIFPBBUPBCV-CVEARBPZSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@@H](CNC(=O)NCCN1CCCCC1)[N@H+]1CCCC[C@H]1C ZINC000078988508 355290377 /nfs/dbraw/zinc/29/03/77/355290377.db2.gz JRBRIFPBBUPBCV-CVEARBPZSA-N 1 3 310.486 2.034 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1ccco1 ZINC000418174411 540170117 /nfs/dbraw/zinc/17/01/17/540170117.db2.gz ZXXSCJUFCMOANS-ZQDZILKHSA-N 1 3 322.453 2.278 20 0 DEADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433904301 540177680 /nfs/dbraw/zinc/17/76/80/540177680.db2.gz QQTAJKAWVGEWFQ-ZBFHGGJFSA-N 1 3 310.486 2.033 20 0 DEADHO FC(F)(F)Cn1cc(CNCC2CC[NH+](C3CC3)CC2)cn1 ZINC000446884406 540185830 /nfs/dbraw/zinc/18/58/30/540185830.db2.gz PTRXZGFMBZOIKW-UHFFFAOYSA-N 1 3 316.371 2.409 20 0 DEADHO CCc1ccc([C@@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000103213092 355714837 /nfs/dbraw/zinc/71/48/37/355714837.db2.gz RALRUGRIPYURNR-MRXNPFEDSA-N 1 3 319.493 2.304 20 0 DEADHO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@]1(F)CCNC1 ZINC000370764008 283131870 /nfs/dbraw/zinc/13/18/70/283131870.db2.gz SWDHEIXOMUPMKV-KRWDZBQOSA-N 1 3 323.412 2.047 20 0 DEADHO C[C@H](CCNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)[NH+]1CCCCC1 ZINC000181941884 356101898 /nfs/dbraw/zinc/10/18/98/356101898.db2.gz QIESSLLKBSOZQE-PMPSAXMXSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000517019235 540226927 /nfs/dbraw/zinc/22/69/27/540226927.db2.gz HXDVKKKJVKYIDW-NUJGCVRESA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CNC2CC2)C1 ZINC000237472134 356298705 /nfs/dbraw/zinc/29/87/05/356298705.db2.gz WFASFVCRJGVGLF-OAHLLOKOSA-N 1 3 315.461 2.287 20 0 DEADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CNC2CC2)C1 ZINC000237472134 356298709 /nfs/dbraw/zinc/29/87/09/356298709.db2.gz WFASFVCRJGVGLF-OAHLLOKOSA-N 1 3 315.461 2.287 20 0 DEADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(CN(C)C)c1 ZINC000081444517 192267652 /nfs/dbraw/zinc/26/76/52/192267652.db2.gz PARODEPJMSWZJP-YOEHRIQHSA-N 1 3 303.450 2.160 20 0 DEADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(CN(C)C)c1 ZINC000081444517 192267653 /nfs/dbraw/zinc/26/76/53/192267653.db2.gz PARODEPJMSWZJP-YOEHRIQHSA-N 1 3 303.450 2.160 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000462634377 283175254 /nfs/dbraw/zinc/17/52/54/283175254.db2.gz YFIFKFVCFRNDIX-BZUAXINKSA-N 1 3 312.502 2.088 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000462634377 283175255 /nfs/dbraw/zinc/17/52/55/283175255.db2.gz YFIFKFVCFRNDIX-BZUAXINKSA-N 1 3 312.502 2.088 20 0 DEADHO CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000374890628 535321692 /nfs/dbraw/zinc/32/16/92/535321692.db2.gz GIGLQUXSDAOPKV-DLBZAZTESA-N 1 3 309.498 2.441 20 0 DEADHO CCC[C@@H](N)C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000236898314 202059857 /nfs/dbraw/zinc/05/98/57/202059857.db2.gz RZKUXDOKOWYSAU-QZTJIDSGSA-N 1 3 317.477 2.484 20 0 DEADHO CCC[C@@H](N)C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000236898314 202059860 /nfs/dbraw/zinc/05/98/60/202059860.db2.gz RZKUXDOKOWYSAU-QZTJIDSGSA-N 1 3 317.477 2.484 20 0 DEADHO Fc1cccc(CN2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000420354851 283192649 /nfs/dbraw/zinc/19/26/49/283192649.db2.gz DPOSWNJTVYJGDK-INIZCTEOSA-N 1 3 305.441 2.333 20 0 DEADHO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000236918417 202069940 /nfs/dbraw/zinc/06/99/40/202069940.db2.gz UVNDUBRQDWFMOY-FSDCSDTHSA-N 1 3 303.450 2.139 20 0 DEADHO C[C@H]1C[C@@H](c2nc(CC3=N[C@@H]4CCCC[C@@H]4N3)no2)CC[N@@H+]1C ZINC000351277176 356646815 /nfs/dbraw/zinc/64/68/15/356646815.db2.gz MUHLAVABPXPINW-XDQVBPFNSA-N 1 3 317.437 2.123 20 0 DEADHO C[C@H]1C[C@@H](c2nc(CC3=N[C@@H]4CCCC[C@@H]4N3)no2)CC[N@H+]1C ZINC000351277176 356646817 /nfs/dbraw/zinc/64/68/17/356646817.db2.gz MUHLAVABPXPINW-XDQVBPFNSA-N 1 3 317.437 2.123 20 0 DEADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000387421552 356704317 /nfs/dbraw/zinc/70/43/17/356704317.db2.gz GFRZMIDYUQIBQZ-HZPDHXFCSA-N 1 3 305.466 2.430 20 0 DEADHO CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000434353682 283219454 /nfs/dbraw/zinc/21/94/54/283219454.db2.gz WTEZCTLKPVULEE-KRWDZBQOSA-N 1 3 324.513 2.377 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccnc3)CC2)CC1 ZINC000578409011 356810187 /nfs/dbraw/zinc/81/01/87/356810187.db2.gz YVRICSQNYNTHPN-UHFFFAOYSA-N 1 3 316.449 2.216 20 0 DEADHO Cc1ccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)c(OCCN(C)C)c1 ZINC000237183452 202179178 /nfs/dbraw/zinc/17/91/78/202179178.db2.gz SWJGAGHPZOXBJJ-UONOGXRCSA-N 1 3 305.422 2.001 20 0 DEADHO CC[NH+]1CCC(NC[C@@H](O)COc2ccc(SC)cc2)CC1 ZINC000578998482 356906042 /nfs/dbraw/zinc/90/60/42/356906042.db2.gz STNFSNDDUXYSBK-OAHLLOKOSA-N 1 3 324.490 2.222 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000578978881 356900406 /nfs/dbraw/zinc/90/04/06/356900406.db2.gz MTOFKJDQKKBQLX-XGWLTEMNSA-N 1 3 318.465 2.193 20 0 DEADHO COc1ccc([C@H](CN2CCCC2)NC(=O)CCCC[NH3+])cc1 ZINC000579241003 356945144 /nfs/dbraw/zinc/94/51/44/356945144.db2.gz HJEGEEDZOMYBPR-KRWDZBQOSA-N 1 3 319.449 2.077 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000579731486 357025274 /nfs/dbraw/zinc/02/52/74/357025274.db2.gz ZZCAXJVUHGPYJD-SJLPKXTDSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@@H]1CCN(CC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000579731486 357025277 /nfs/dbraw/zinc/02/52/77/357025277.db2.gz ZZCAXJVUHGPYJD-SJLPKXTDSA-N 1 3 315.461 2.061 20 0 DEADHO CC[N@H+](CCCN(C)C)Cc1ccc(-n2cncn2)c(F)c1 ZINC000580978929 357110662 /nfs/dbraw/zinc/11/06/62/357110662.db2.gz KJBJGXBHBUVOHL-UHFFFAOYSA-N 1 3 305.401 2.180 20 0 DEADHO CC[N@@H+](CCCN(C)C)Cc1ccc(-n2cncn2)c(F)c1 ZINC000580978929 357110667 /nfs/dbraw/zinc/11/06/67/357110667.db2.gz KJBJGXBHBUVOHL-UHFFFAOYSA-N 1 3 305.401 2.180 20 0 DEADHO CN(C)C[C@@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000580782898 357081034 /nfs/dbraw/zinc/08/10/34/357081034.db2.gz LRTPUPUVGSXFFG-SFHVURJKSA-N 1 3 317.477 2.347 20 0 DEADHO CN1CCN(CC[NH2+]Cc2ccnc3ccccc23)CC1(C)C ZINC000581050558 357121658 /nfs/dbraw/zinc/12/16/58/357121658.db2.gz QXRUSPHEWCRMSJ-UHFFFAOYSA-N 1 3 312.461 2.350 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418578796 283246109 /nfs/dbraw/zinc/24/61/09/283246109.db2.gz JKKVLNUBPDDVNP-HZPDHXFCSA-N 1 3 310.486 2.164 20 0 DEADHO CCSc1cccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000435391839 283261545 /nfs/dbraw/zinc/26/15/45/283261545.db2.gz XXUPMVFDHCAVAC-OAHLLOKOSA-N 1 3 321.490 2.086 20 0 DEADHO CN1CCN(CCCC[NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000589640288 357486577 /nfs/dbraw/zinc/48/65/77/357486577.db2.gz HMNSVGDBFAGPOO-UHFFFAOYSA-N 1 3 300.450 2.285 20 0 DEADHO Cc1ccc(OC[C@@H](O)CN2CCC(C[NH+](C)C)CC2)cc1 ZINC000590125668 357520382 /nfs/dbraw/zinc/52/03/82/357520382.db2.gz HIPGZPSLJFXLQG-KRWDZBQOSA-N 1 3 306.450 2.008 20 0 DEADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654487554 540288139 /nfs/dbraw/zinc/28/81/39/540288139.db2.gz MQMCQJDRSSTIDK-BRWVUGGUSA-N 1 3 322.497 2.177 20 0 DEADHO Cc1ccc([C@H](CNC(=O)[C@H]2[NH2+]CCC2(C)C)N(C)C)cc1 ZINC000662689073 540333404 /nfs/dbraw/zinc/33/34/04/540333404.db2.gz DKSXYLLZBJVULC-JKSUJKDBSA-N 1 3 303.450 2.102 20 0 DEADHO CC(C)CCC[N@@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663514499 540340336 /nfs/dbraw/zinc/34/03/36/540340336.db2.gz YSSJMOSKCZMYSW-INIZCTEOSA-N 1 3 319.497 2.435 20 0 DEADHO CC(C)CCC[N@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663514499 540340337 /nfs/dbraw/zinc/34/03/37/540340337.db2.gz YSSJMOSKCZMYSW-INIZCTEOSA-N 1 3 319.497 2.435 20 0 DEADHO CCCN1CC[C@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000666926085 540364398 /nfs/dbraw/zinc/36/43/98/540364398.db2.gz IWVMMFIJBSWENX-INIZCTEOSA-N 1 3 322.497 2.131 20 0 DEADHO CCCN1CC[C@H](NC(=O)N2CCC[N@H+](C3CCCC3)CC2)C1 ZINC000666926085 540364399 /nfs/dbraw/zinc/36/43/99/540364399.db2.gz IWVMMFIJBSWENX-INIZCTEOSA-N 1 3 322.497 2.131 20 0 DEADHO CCC(CC)[C@@H](CNC[C@@H]1CNc2ccnn2C1)[NH+]1CCCC1 ZINC000595138214 358392902 /nfs/dbraw/zinc/39/29/02/358392902.db2.gz BJPOUPVYQXXXOG-NVXWUHKLSA-N 1 3 319.497 2.415 20 0 DEADHO C[C@H]([NH3+])CNC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000667232413 540420864 /nfs/dbraw/zinc/42/08/64/540420864.db2.gz FSRPHNXFCIRNEY-AWEZNQCLSA-N 1 3 320.437 2.020 20 0 DEADHO CCCN(CCN1CCCC1)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667733661 540516963 /nfs/dbraw/zinc/51/69/63/540516963.db2.gz LXQBMRFMRLCBLI-UHFFFAOYSA-N 1 3 304.438 2.485 20 0 DEADHO N[C@H](CC(=O)NCCC[NH+]1CCCCCC1)c1ccccc1 ZINC000237851142 202371379 /nfs/dbraw/zinc/37/13/79/202371379.db2.gz DSWIOJGTMICPDT-QGZVFWFLSA-N 1 3 303.450 2.459 20 0 DEADHO C[NH2+]C[C@@H](C)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000237207662 283535651 /nfs/dbraw/zinc/53/56/51/283535651.db2.gz RTQPBFUAMBDCIY-AEFFLSMTSA-N 1 3 317.477 2.431 20 0 DEADHO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N1CCC[C@H](CC[NH3+])C1 ZINC000443062712 238100878 /nfs/dbraw/zinc/10/08/78/238100878.db2.gz VEMZLXJPIIIWMX-RRFJBIMHSA-N 1 3 321.440 2.452 20 0 DEADHO C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCC[C@H](CC[NH3+])C1 ZINC000443077657 238102921 /nfs/dbraw/zinc/10/29/21/238102921.db2.gz VDONSZBSLGJIFB-ARFHVFGLSA-N 1 3 303.450 2.313 20 0 DEADHO CC[C@@H](CN1CCCC1)NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000669529919 540854345 /nfs/dbraw/zinc/85/43/45/540854345.db2.gz IYCNWAOMDPCAPF-IRXDYDNUSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@H](NC(=O)N1CCC(C)([NH3+])CC1)[C@@H](c1ccccc1)N(C)C ZINC000669583286 540868866 /nfs/dbraw/zinc/86/88/66/540868866.db2.gz ARTLWHONBLCCHD-HOCLYGCPSA-N 1 3 318.465 2.201 20 0 DEADHO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@@H](N2CCCC2)C1 ZINC000363597047 296035857 /nfs/dbraw/zinc/03/58/57/296035857.db2.gz JSRFTLDCGSLIAN-SJLPKXTDSA-N 1 3 319.493 2.338 20 0 DEADHO O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CC[C@@H](N2CCCC2)C1 ZINC000363597047 296035858 /nfs/dbraw/zinc/03/58/58/296035858.db2.gz JSRFTLDCGSLIAN-SJLPKXTDSA-N 1 3 319.493 2.338 20 0 DEADHO CN1CCC(N2CC[C@H]([N@H+](C)C[C@]3(C)CCCS3)C2)CC1 ZINC000628278877 366791144 /nfs/dbraw/zinc/79/11/44/366791144.db2.gz LHPRTGPMKDDTFJ-IRXDYDNUSA-N 1 3 311.539 2.372 20 0 DEADHO CN1CCC(N2CC[C@H]([N@@H+](C)C[C@]3(C)CCCS3)C2)CC1 ZINC000628278877 366791151 /nfs/dbraw/zinc/79/11/51/366791151.db2.gz LHPRTGPMKDDTFJ-IRXDYDNUSA-N 1 3 311.539 2.372 20 0 DEADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H](C)CN1CCCCC1 ZINC000675176291 541296602 /nfs/dbraw/zinc/29/66/02/541296602.db2.gz FYUALPPOQAPKAP-CVEARBPZSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000620931603 364207004 /nfs/dbraw/zinc/20/70/04/364207004.db2.gz JABIYUIQZCHPEA-GJZGRUSLSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000621106519 364256941 /nfs/dbraw/zinc/25/69/41/364256941.db2.gz MYHLCBSHTYFOHG-BFYDXBDKSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000621106519 364256950 /nfs/dbraw/zinc/25/69/50/364256950.db2.gz MYHLCBSHTYFOHG-BFYDXBDKSA-N 1 3 307.482 2.097 20 0 DEADHO CN(C)CCN(C(=O)CC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000621641991 364485135 /nfs/dbraw/zinc/48/51/35/364485135.db2.gz BDBAPNXRQHBJCE-INIZCTEOSA-N 1 3 303.450 2.361 20 0 DEADHO CN(C)[C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000621641493 364485217 /nfs/dbraw/zinc/48/52/17/364485217.db2.gz LIGMIOXWDQNLIE-ZWKOTPCHSA-N 1 3 317.477 2.055 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)CC[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000621642230 364487238 /nfs/dbraw/zinc/48/72/38/364487238.db2.gz IIIKKPSOVPQEIY-SJLPKXTDSA-N 1 3 317.477 2.494 20 0 DEADHO CN(C)Cc1cccc(NC(=O)N[C@H]2CC23CC[NH2+]CC3)c1 ZINC000623054723 364869664 /nfs/dbraw/zinc/86/96/64/364869664.db2.gz XOEYBMGREPHWIM-HNNXBMFYSA-N 1 3 302.422 2.012 20 0 DEADHO C[C@H]1C[N@H+](CCCNCc2cccc3n[nH]cc32)CCCO1 ZINC000623507777 365055516 /nfs/dbraw/zinc/05/55/16/365055516.db2.gz ZLLAAIQUILIPTP-AWEZNQCLSA-N 1 3 302.422 2.153 20 0 DEADHO C[C@H]1C[N@@H+](CCCNCc2cccc3n[nH]cc32)CCCO1 ZINC000623507777 365055521 /nfs/dbraw/zinc/05/55/21/365055521.db2.gz ZLLAAIQUILIPTP-AWEZNQCLSA-N 1 3 302.422 2.153 20 0 DEADHO C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000623707693 365138652 /nfs/dbraw/zinc/13/86/52/365138652.db2.gz JMUZMBVURAISLP-WBVHZDCISA-N 1 3 322.497 2.177 20 0 DEADHO C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121338 365296289 /nfs/dbraw/zinc/29/62/89/365296289.db2.gz UEPLABAFRYQUMS-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@H](CC(=O)N1CCCCCC1)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624121338 365296294 /nfs/dbraw/zinc/29/62/94/365296294.db2.gz UEPLABAFRYQUMS-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@@H](CC(=O)N1CCCCCC1)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121338 365296297 /nfs/dbraw/zinc/29/62/97/365296297.db2.gz UEPLABAFRYQUMS-IRXDYDNUSA-N 1 3 309.498 2.489 20 0 DEADHO C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(S(C)(=O)=O)cc1 ZINC000423266242 299367050 /nfs/dbraw/zinc/36/70/50/299367050.db2.gz DHGOMZDWLLQVDO-JGGQBBKZSA-N 1 3 310.463 2.258 20 0 DEADHO O[C@@H](CNCCCc1c[nH]c2ccccc12)C[NH+]1CCCC1 ZINC000629561733 367253602 /nfs/dbraw/zinc/25/36/02/367253602.db2.gz YVWYSLRHYRJPTD-INIZCTEOSA-N 1 3 301.434 2.147 20 0 DEADHO C[C@H](C[NH2+]C[C@H](O)CN1CCCC1)Oc1ccccc1Cl ZINC000629565932 367254463 /nfs/dbraw/zinc/25/44/63/367254463.db2.gz QUIAEAFGPXLGCH-KGLIPLIRSA-N 1 3 312.841 2.154 20 0 DEADHO CN(CCOCC[NH3+])Cc1ccc(OCc2cccnc2)cc1 ZINC000629578829 367258335 /nfs/dbraw/zinc/25/83/35/367258335.db2.gz VCJZREMWUKPOFH-UHFFFAOYSA-N 1 3 315.417 2.068 20 0 DEADHO CCc1cc(N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc[nH+]1 ZINC000450406979 241794928 /nfs/dbraw/zinc/79/49/28/241794928.db2.gz HGWXUAKQMLDTLE-QAPCUYQASA-N 1 3 302.466 2.106 20 0 DEADHO C[C@H](N[C@@H]1CC[NH2+][C@H](c2ccccc2)C1)[C@H](C)N1CCOCC1 ZINC000415085638 299388400 /nfs/dbraw/zinc/38/84/00/299388400.db2.gz SWICSYUULQTBRF-DKKFBQAASA-N 1 3 317.477 2.179 20 0 DEADHO CC[C@@H](c1ccccc1)N1CCN(C[C@H](O)C[N@H+](C)CC)CC1 ZINC001413964911 1151871618 /nfs/dbraw/zinc/87/16/18/1151871618.db2.gz NHNVQOUNKSZOHB-MOPGFXCFSA-N 1 3 319.493 2.068 20 0 DEADHO CC[C@@H](c1ccccc1)N1CCN(C[C@H](O)C[N@@H+](C)CC)CC1 ZINC001413964911 1151871619 /nfs/dbraw/zinc/87/16/19/1151871619.db2.gz NHNVQOUNKSZOHB-MOPGFXCFSA-N 1 3 319.493 2.068 20 0 DEADHO CC(C)[C@H](N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262170914 203217653 /nfs/dbraw/zinc/21/76/53/203217653.db2.gz XEXFLJUCCMSKAD-OIISXLGYSA-N 1 3 303.450 2.139 20 0 DEADHO CC(C)[C@H](N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262170914 203217657 /nfs/dbraw/zinc/21/76/57/203217657.db2.gz XEXFLJUCCMSKAD-OIISXLGYSA-N 1 3 303.450 2.139 20 0 DEADHO C[C@@H](C(=O)NC(C)(C)C[NH3+])N1CCC(Cc2ccccc2)CC1 ZINC000262504915 203312344 /nfs/dbraw/zinc/31/23/44/203312344.db2.gz JIYWKQXHRHJNGL-HNNXBMFYSA-N 1 3 317.477 2.183 20 0 DEADHO C[C@H](NC(C)(C)CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000262651641 203364851 /nfs/dbraw/zinc/36/48/51/203364851.db2.gz RGQXLYAYIXFXIF-NUEKZKHPSA-N 1 3 303.450 2.359 20 0 DEADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+]CC2CC2)CC1 ZINC000262658135 203368682 /nfs/dbraw/zinc/36/86/82/203368682.db2.gz DOHNDSPLKJFLKR-UHFFFAOYSA-N 1 3 315.461 2.075 20 0 DEADHO CCCN1CCC([N@H+](C)C[C@@H](O)COc2ccccc2)CC1 ZINC000264722590 204102005 /nfs/dbraw/zinc/10/20/05/204102005.db2.gz PKXYJVKBARHTKU-QGZVFWFLSA-N 1 3 306.450 2.233 20 0 DEADHO CCCN1CCC([N@@H+](C)C[C@@H](O)COc2ccccc2)CC1 ZINC000264722590 204102009 /nfs/dbraw/zinc/10/20/09/204102009.db2.gz PKXYJVKBARHTKU-QGZVFWFLSA-N 1 3 306.450 2.233 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCN2C2CCCC2)CC1 ZINC000530023024 284318713 /nfs/dbraw/zinc/31/87/13/284318713.db2.gz RFFAOSGOFLUTBG-KRWDZBQOSA-N 1 3 307.482 2.240 20 0 DEADHO C[NH2+]CCC1CCN([C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000530223491 284377676 /nfs/dbraw/zinc/37/76/76/284377676.db2.gz SPIRYVBYVOZFAB-QGZVFWFLSA-N 1 3 307.482 2.242 20 0 DEADHO c1cc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc2c1OCC2 ZINC000530248836 284385399 /nfs/dbraw/zinc/38/53/99/284385399.db2.gz QEIRZYHOXHKZBV-GOSISDBHSA-N 1 3 316.445 2.212 20 0 DEADHO CCc1ncc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)s1 ZINC000530249003 284385489 /nfs/dbraw/zinc/38/54/89/284385489.db2.gz SIIPSYVAOOAIBS-AWEZNQCLSA-N 1 3 309.479 2.296 20 0 DEADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000530276175 284393589 /nfs/dbraw/zinc/39/35/89/284393589.db2.gz KHGYGENPHVWFGL-NVXWUHKLSA-N 1 3 307.482 2.384 20 0 DEADHO C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000530276175 284393592 /nfs/dbraw/zinc/39/35/92/284393592.db2.gz KHGYGENPHVWFGL-NVXWUHKLSA-N 1 3 307.482 2.384 20 0 DEADHO Cc1c([C@@H](C)[NH2+]CCCCN2CCN(C)CC2)cnn1C(C)C ZINC000530329953 284403409 /nfs/dbraw/zinc/40/34/09/284403409.db2.gz CGGMCOKPSUZUGB-MRXNPFEDSA-N 1 3 321.513 2.451 20 0 DEADHO CN(CCc1cnccn1)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000680651095 542036675 /nfs/dbraw/zinc/03/66/75/542036675.db2.gz UMMAMWNUAZNKAX-UHFFFAOYSA-N 1 3 314.433 2.092 20 0 DEADHO CN(C)CCOc1ccc(C[NH2+]CC2(CO)CCCC2)cc1 ZINC000681135984 542101432 /nfs/dbraw/zinc/10/14/32/542101432.db2.gz KKNZTFFLNPXNEW-UHFFFAOYSA-N 1 3 306.450 2.269 20 0 DEADHO C[C@@H](NC(=O)N1CCN(C2CC2)C[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000458527116 248358210 /nfs/dbraw/zinc/35/82/10/248358210.db2.gz SNDDNBZQZYVSTE-LSDHHAIUSA-N 1 3 324.513 2.088 20 0 DEADHO CC[NH+](CC)CCNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000287392939 284632138 /nfs/dbraw/zinc/63/21/38/284632138.db2.gz VQNWRSBWMRVZCD-WBVHZDCISA-N 1 3 320.481 2.319 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)/C=C/C[NH+](C)C)C1 ZINC000493075816 249214802 /nfs/dbraw/zinc/21/48/02/249214802.db2.gz AOIKGORSQZOZBB-JEJOPICUSA-N 1 3 315.461 2.085 20 0 DEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1cccc(N2CCOC2=O)c1 ZINC000493697040 249366090 /nfs/dbraw/zinc/36/60/90/249366090.db2.gz ZDSYTSQCUXJONH-CJNGLKHVSA-N 1 3 303.406 2.073 20 0 DEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1cccc(N2CCOC2=O)c1 ZINC000493697040 249366093 /nfs/dbraw/zinc/36/60/93/249366093.db2.gz ZDSYTSQCUXJONH-CJNGLKHVSA-N 1 3 303.406 2.073 20 0 DEADHO CN1CCC(O)(C[NH2+][C@@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000284372764 218000782 /nfs/dbraw/zinc/00/07/82/218000782.db2.gz OJNVCOLKZNVADE-SJORKVTESA-N 1 3 318.461 2.279 20 0 DEADHO C[C@H](NCC1=CC[N@H+](C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000271895532 209305071 /nfs/dbraw/zinc/30/50/71/209305071.db2.gz UBEWAVSLFPGTLF-ZDUSSCGKSA-N 1 3 308.447 2.003 20 0 DEADHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000271895532 209305076 /nfs/dbraw/zinc/30/50/76/209305076.db2.gz UBEWAVSLFPGTLF-ZDUSSCGKSA-N 1 3 308.447 2.003 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(OCCN(C)C)cc2)CCN1C ZINC000268850165 207017741 /nfs/dbraw/zinc/01/77/41/207017741.db2.gz FTJXGHXPDHLQAU-AEFFLSMTSA-N 1 3 319.493 2.242 20 0 DEADHO COCCN(C)CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000268851634 207017696 /nfs/dbraw/zinc/01/76/96/207017696.db2.gz PJHDZPZMSKCYAV-IEBWSBKVSA-N 1 3 319.493 2.207 20 0 DEADHO COCCN(C)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268851634 207017701 /nfs/dbraw/zinc/01/77/01/207017701.db2.gz PJHDZPZMSKCYAV-IEBWSBKVSA-N 1 3 319.493 2.207 20 0 DEADHO COCCN(C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268851634 207017704 /nfs/dbraw/zinc/01/77/04/207017704.db2.gz PJHDZPZMSKCYAV-IEBWSBKVSA-N 1 3 319.493 2.207 20 0 DEADHO CC(C)[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)N(C)C ZINC000110636725 194344842 /nfs/dbraw/zinc/34/48/42/194344842.db2.gz GAOVCFVLBLXUCW-MRXNPFEDSA-N 1 3 307.438 2.152 20 0 DEADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cnc2ccsc2c1 ZINC000268996058 207154782 /nfs/dbraw/zinc/15/47/82/207154782.db2.gz NRLGCAXJSZSHEZ-GFCCVEGCSA-N 1 3 305.447 2.404 20 0 DEADHO CCc1ccc([C@H](CNC(=O)CN(C)C(C)C)[NH+](C)C)cc1 ZINC000060161702 184145017 /nfs/dbraw/zinc/14/50/17/184145017.db2.gz CHULYMVHQZNWSU-KRWDZBQOSA-N 1 3 305.466 2.308 20 0 DEADHO CN1CCC(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000063407987 184281178 /nfs/dbraw/zinc/28/11/78/184281178.db2.gz DRTLGIBFMKLAKJ-UHFFFAOYSA-N 1 3 322.497 2.034 20 0 DEADHO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCCCN1CCN(C)CC1 ZINC000537294976 284989231 /nfs/dbraw/zinc/98/92/31/284989231.db2.gz FRKYRJLBXCYYCD-DLBZAZTESA-N 1 3 311.514 2.197 20 0 DEADHO C[C@H](CCn1cccn1)[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000158658790 197292190 /nfs/dbraw/zinc/29/21/90/197292190.db2.gz XKNFOCALUJRXOY-MRXNPFEDSA-N 1 3 316.449 2.392 20 0 DEADHO CC(=O)N1CC[C@@H](NC[C@@H]2CCC[N@@H+](C)C2)c2ccccc2C1 ZINC000541844479 285188349 /nfs/dbraw/zinc/18/83/49/285188349.db2.gz IWKLTDBJHJXHOD-QFBILLFUSA-N 1 3 315.461 2.411 20 0 DEADHO CC(=O)N1CC[C@@H](NC[C@@H]2CCC[N@H+](C)C2)c2ccccc2C1 ZINC000541844479 285188352 /nfs/dbraw/zinc/18/83/52/285188352.db2.gz IWKLTDBJHJXHOD-QFBILLFUSA-N 1 3 315.461 2.411 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000179718345 285194399 /nfs/dbraw/zinc/19/43/99/285194399.db2.gz MVHIVOSIOIRUFG-FUHWJXTLSA-N 1 3 317.477 2.498 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000179718345 285194404 /nfs/dbraw/zinc/19/44/04/285194404.db2.gz MVHIVOSIOIRUFG-FUHWJXTLSA-N 1 3 317.477 2.498 20 0 DEADHO C[C@@H](NC(=O)N1CC[C@H](N2CCCCC2)C1)C(C)(C)C[NH+](C)C ZINC000443223242 533136867 /nfs/dbraw/zinc/13/68/67/533136867.db2.gz GETPCNGYVKUVLV-CVEARBPZSA-N 1 3 324.513 2.233 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC000155556077 197066441 /nfs/dbraw/zinc/06/64/41/197066441.db2.gz ZQGJYDVFLCIZAY-UHFFFAOYSA-N 1 3 303.450 2.351 20 0 DEADHO C[C@H]([NH2+]CCCN1CCCC1=O)[C@H]1CCCN(C2CCC2)C1 ZINC000542531973 285232410 /nfs/dbraw/zinc/23/24/10/285232410.db2.gz MZBWQUXYDKFORA-HOTGVXAUSA-N 1 3 307.482 2.242 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C1=CCCCC1 ZINC000353726222 285243027 /nfs/dbraw/zinc/24/30/27/285243027.db2.gz IXMXGPACDOKMMC-QGZVFWFLSA-N 1 3 307.482 2.361 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C1=CCCCC1 ZINC000353726222 285243028 /nfs/dbraw/zinc/24/30/28/285243028.db2.gz IXMXGPACDOKMMC-QGZVFWFLSA-N 1 3 307.482 2.361 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C1CCCCC1 ZINC000346616203 285243060 /nfs/dbraw/zinc/24/30/60/285243060.db2.gz DOPCMJFIYJPRGS-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C1CCCCC1 ZINC000346616203 285243061 /nfs/dbraw/zinc/24/30/61/285243061.db2.gz DOPCMJFIYJPRGS-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO COc1ccc([C@H](CN[C@H](C)C2C[NH2+]C2)N2CCCCC2)cc1 ZINC000422772878 533183565 /nfs/dbraw/zinc/18/35/65/533183565.db2.gz ZEYWVALZIDZEEK-BEFAXECRSA-N 1 3 317.477 2.420 20 0 DEADHO CCN1CCC[C@@H]1CNC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000341029580 285258210 /nfs/dbraw/zinc/25/82/10/285258210.db2.gz YDLPFJPCQLVZEJ-NUJGCVRESA-N 1 3 324.513 2.280 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C1=CCCCC1 ZINC000353726221 285275762 /nfs/dbraw/zinc/27/57/62/285275762.db2.gz IXMXGPACDOKMMC-KRWDZBQOSA-N 1 3 307.482 2.361 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C1=CCCCC1 ZINC000353726221 285275764 /nfs/dbraw/zinc/27/57/64/285275764.db2.gz IXMXGPACDOKMMC-KRWDZBQOSA-N 1 3 307.482 2.361 20 0 DEADHO C[C@H](NCCOC[C@@H]1CCCO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543458453 285289280 /nfs/dbraw/zinc/28/92/80/285289280.db2.gz DMRMGBCBWRQVQD-JZXOWHBKSA-N 1 3 310.482 2.425 20 0 DEADHO C[C@H](NCCOC[C@@H]1CCCO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543458453 285289283 /nfs/dbraw/zinc/28/92/83/285289283.db2.gz DMRMGBCBWRQVQD-JZXOWHBKSA-N 1 3 310.482 2.425 20 0 DEADHO C[C@H]([NH2+]CCOC[C@@H]1CCCO1)[C@@H]1CCCN(C2CCC2)C1 ZINC000543458453 285289287 /nfs/dbraw/zinc/28/92/87/285289287.db2.gz DMRMGBCBWRQVQD-JZXOWHBKSA-N 1 3 310.482 2.425 20 0 DEADHO C[C@@H](NC1CC1)C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000295585329 533336371 /nfs/dbraw/zinc/33/63/71/533336371.db2.gz BSJCHSGVJIPWFA-CYBMUJFWSA-N 1 3 305.422 2.096 20 0 DEADHO COc1ccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)cc1 ZINC000422947134 533365262 /nfs/dbraw/zinc/36/52/62/533365262.db2.gz PUGNFYDBSZITJV-IAOVAPTHSA-N 1 3 306.450 2.315 20 0 DEADHO COc1ccc(C(C)(C)CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000422947134 533365269 /nfs/dbraw/zinc/36/52/69/533365269.db2.gz PUGNFYDBSZITJV-IAOVAPTHSA-N 1 3 306.450 2.315 20 0 DEADHO C(C[NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1)COC[C@@H]1CCCO1 ZINC000316121027 533366816 /nfs/dbraw/zinc/36/68/16/533366816.db2.gz LPAVTXSKFMELCZ-FJIDUMEYSA-N 1 3 310.482 2.473 20 0 DEADHO COC(=O)COc1ccccc1[C@H](C)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000423268447 533574131 /nfs/dbraw/zinc/57/41/31/533574131.db2.gz DVDJVJXDOYSJMM-DZKIICNBSA-N 1 3 320.433 2.407 20 0 DEADHO C[C@@H](CC[NH3+])NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000418525412 533575003 /nfs/dbraw/zinc/57/50/03/533575003.db2.gz MIJWMNQOEOTRAM-HOTGVXAUSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@H](NC(=O)N1CCC[C@@H]1CN1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000418338473 533586446 /nfs/dbraw/zinc/58/64/46/533586446.db2.gz JWZPOQXKGNDMES-GVDBMIGSSA-N 1 3 322.497 2.034 20 0 DEADHO c1cc(CN2CCC3(CC[NH2+]C3)CC2)c2c(c1)OCCCO2 ZINC000430933179 285434430 /nfs/dbraw/zinc/43/44/30/285434430.db2.gz HKVBROKARJUMNR-UHFFFAOYSA-N 1 3 302.418 2.423 20 0 DEADHO CCN1CCN(CCCC[NH2+][C@@H]2CCCc3cccnc32)CC1 ZINC000684953565 542690804 /nfs/dbraw/zinc/69/08/04/542690804.db2.gz JCSGZBPKXKBHQO-GOSISDBHSA-N 1 3 316.493 2.466 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc2ccsc21 ZINC000546661059 285511482 /nfs/dbraw/zinc/51/14/82/285511482.db2.gz RKIVUKZYWXXTOY-UHFFFAOYSA-N 1 3 319.474 2.467 20 0 DEADHO CN(CCCN(C)Cc1cc(F)c(F)c(F)c1)CC[NH+](C)C ZINC000685475826 542730768 /nfs/dbraw/zinc/73/07/68/542730768.db2.gz LWOXTUBFBKYPPZ-UHFFFAOYSA-N 1 3 317.399 2.419 20 0 DEADHO COC1(C[N@H+](C)[C@H]2CCN(C3CCN(C)CC3)C2)CCCCC1 ZINC000685457589 542726782 /nfs/dbraw/zinc/72/67/82/542726782.db2.gz FXBHWOPBDODLAP-SFHVURJKSA-N 1 3 323.525 2.436 20 0 DEADHO COC1(C[N@@H+](C)[C@H]2CCN(C3CCN(C)CC3)C2)CCCCC1 ZINC000685457589 542726785 /nfs/dbraw/zinc/72/67/85/542726785.db2.gz FXBHWOPBDODLAP-SFHVURJKSA-N 1 3 323.525 2.436 20 0 DEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NCC1([NH3+])CCCCC1 ZINC000562812338 292012423 /nfs/dbraw/zinc/01/24/23/292012423.db2.gz OAWLCJFHIPLLHN-CQSZACIVSA-N 1 3 310.486 2.068 20 0 DEADHO Cn1c2ccc(CN3CCC(CC[NH+](C)C)CC3)cc2oc1=O ZINC000350664892 132886029 /nfs/dbraw/zinc/88/60/29/132886029.db2.gz YLGVJLCAVJKJAP-UHFFFAOYSA-N 1 3 317.433 2.295 20 0 DEADHO CCCN(C)CC(=O)N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000355640403 133039070 /nfs/dbraw/zinc/03/90/70/133039070.db2.gz STPNDWRHIFHMLE-UHFFFAOYSA-N 1 3 305.466 2.227 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H]2C(C)(C)C)CC1 ZINC000358200150 133127668 /nfs/dbraw/zinc/12/76/68/133127668.db2.gz UEBBIFFZTYAFNW-INIZCTEOSA-N 1 3 309.498 2.486 20 0 DEADHO CC1CCN(CCNC(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000358240982 133130558 /nfs/dbraw/zinc/13/05/58/133130558.db2.gz UUBJXXRTBRRQSN-UHFFFAOYSA-N 1 3 324.513 2.140 20 0 DEADHO C[NH+](C)CC1CCN([C@@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000359615729 133134656 /nfs/dbraw/zinc/13/46/56/133134656.db2.gz XNLLSXYQENQYDS-MRXNPFEDSA-N 1 3 309.498 2.297 20 0 DEADHO C[NH+]1CCC(C(=O)N2CCN(CC3CCCCC3)CC2)CC1 ZINC000360088866 133161059 /nfs/dbraw/zinc/16/10/59/133161059.db2.gz JFMPQXPIAIASGF-UHFFFAOYSA-N 1 3 307.482 2.053 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N(CCN(C)C)C2CCCC2)CC1 ZINC000360224394 133169928 /nfs/dbraw/zinc/16/99/28/133169928.db2.gz IAXIAGDUTBCBIT-UHFFFAOYSA-N 1 3 309.498 2.440 20 0 DEADHO Cc1ccc(NC(=[NH2+])NC[C@H]2CN3CCC[C@@H]3CO2)cc1C ZINC000360570926 133191152 /nfs/dbraw/zinc/19/11/52/133191152.db2.gz AYFKKTQHPPZEOO-CVEARBPZSA-N 1 3 302.422 2.103 20 0 DEADHO [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H](c2cccs2)c2nnc[n-]2)CC1 ZINC000562962316 292019826 /nfs/dbraw/zinc/01/98/26/292019826.db2.gz UVPPOUBTGQYIBM-OBJOEFQTSA-N 1 3 305.451 2.310 20 0 DEADHO C[C@@H](O)c1ncc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)s1 ZINC000377881869 133350072 /nfs/dbraw/zinc/35/00/72/133350072.db2.gz AIEJHYLFNKNSLR-TZMCWYRMSA-N 1 3 309.479 2.360 20 0 DEADHO CC(C)CC[NH+]1CCC(CNC(=O)C23CCCN2CCC3)CC1 ZINC000373368700 133387916 /nfs/dbraw/zinc/38/79/16/133387916.db2.gz JRXWQNZQLPKOMR-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@@H](C(=O)N1CCC(C)([NH2+]CC[C@H](C)F)CC1)N(C)C ZINC001368660260 1148557974 /nfs/dbraw/zinc/55/79/74/1148557974.db2.gz XFNYNMGVVMIGMG-KBPBESRZSA-N 1 3 301.450 2.045 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN[C@@H](C)c1ccccc1F ZINC001422585704 1172734283 /nfs/dbraw/zinc/73/42/83/1172734283.db2.gz AKYSWUMYQQFNON-KGLIPLIRSA-N 1 3 309.429 2.323 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN[C@@H](C)c1ccccc1F ZINC001422585704 1172734289 /nfs/dbraw/zinc/73/42/89/1172734289.db2.gz AKYSWUMYQQFNON-KGLIPLIRSA-N 1 3 309.429 2.323 20 0 DEADHO C[C@@H](CNC(=O)[C@H]1CNCc2ccccc21)[N@@H+]1CCCC[C@H]1C ZINC000563716553 292070852 /nfs/dbraw/zinc/07/08/52/292070852.db2.gz MLQRHRWWUSGQKQ-VKJFTORMSA-N 1 3 315.461 2.253 20 0 DEADHO C[C@@H](CNC(=O)[C@H]1CNCc2ccccc21)[N@H+]1CCCC[C@H]1C ZINC000563716553 292070853 /nfs/dbraw/zinc/07/08/53/292070853.db2.gz MLQRHRWWUSGQKQ-VKJFTORMSA-N 1 3 315.461 2.253 20 0 DEADHO C[C@@H]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CCN1C ZINC000564466678 292096685 /nfs/dbraw/zinc/09/66/85/292096685.db2.gz SXHVYCHVECAYNU-PBHICJAKSA-N 1 3 303.450 2.003 20 0 DEADHO N[C@H]1C[C@@H]([NH2+]CCc2cn3c(n2)SCC3)c2ccccc21 ZINC000564823224 292113027 /nfs/dbraw/zinc/11/30/27/292113027.db2.gz DLUPQCOQHOKQTE-LSDHHAIUSA-N 1 3 300.431 2.266 20 0 DEADHO CN1C[C@@H]2C[N@@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)C[C@@H]2C1 ZINC000193615812 145088286 /nfs/dbraw/zinc/08/82/86/145088286.db2.gz WDRVBRLKCCKHIP-ZIFCJYIRSA-N 1 3 316.445 2.238 20 0 DEADHO CN1C[C@@H]2C[N@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)C[C@@H]2C1 ZINC000193615812 145088287 /nfs/dbraw/zinc/08/82/87/145088287.db2.gz WDRVBRLKCCKHIP-ZIFCJYIRSA-N 1 3 316.445 2.238 20 0 DEADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1ccc(-n2cnnn2)cc1 ZINC000247038057 145124332 /nfs/dbraw/zinc/12/43/32/145124332.db2.gz LQCMRRUTVZJWTA-JLJPHGGASA-N 1 3 314.437 2.186 20 0 DEADHO COC[C@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)C(C)C ZINC000248447041 145155501 /nfs/dbraw/zinc/15/55/01/145155501.db2.gz NEQAJSUSJWODQB-MSOLQXFVSA-N 1 3 306.450 2.014 20 0 DEADHO [NH3+][C@@H]1CC[C@@H]2CN(CCC(=O)Nc3ccccc3Cl)C[C@H]12 ZINC000261615960 145210276 /nfs/dbraw/zinc/21/02/76/145210276.db2.gz FRQXPCUADWUBDJ-MBNYWOFBSA-N 1 3 307.825 2.338 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261706696 145219160 /nfs/dbraw/zinc/21/91/60/145219160.db2.gz IXKQYNYHJGTBNZ-DZJNRPSUSA-N 1 3 315.461 2.456 20 0 DEADHO NC[C@@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccc2ccccc2c1 ZINC000261887793 145238153 /nfs/dbraw/zinc/23/81/53/145238153.db2.gz UUYYPQMOBRKKBY-CGTJXYLNSA-N 1 3 311.429 2.473 20 0 DEADHO COC(=O)c1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000262005872 145252081 /nfs/dbraw/zinc/25/20/81/145252081.db2.gz VVIAXVLFXSMIID-QGZVFWFLSA-N 1 3 302.418 2.437 20 0 DEADHO [NH3+]CC1CCN(Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000261999307 145252213 /nfs/dbraw/zinc/25/22/13/145252213.db2.gz TXLNJQUZAUWLLU-UHFFFAOYSA-N 1 3 302.397 2.241 20 0 DEADHO FC(F)(F)c1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262392221 145280507 /nfs/dbraw/zinc/28/05/07/145280507.db2.gz BKHKILWPMSJIEX-OAHLLOKOSA-N 1 3 313.367 2.185 20 0 DEADHO CCCN(C(=O)[C@H](C)C[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000262417681 145282805 /nfs/dbraw/zinc/28/28/05/145282805.db2.gz RIRHYRRUAPJAKT-SJLPKXTDSA-N 1 3 317.477 2.484 20 0 DEADHO Cc1cc(C)cc(OCCCN2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000323706912 145380792 /nfs/dbraw/zinc/38/07/92/145380792.db2.gz HKCKZTJBGDGFQE-GOSISDBHSA-N 1 3 317.477 2.052 20 0 DEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(C)(CC)C3)CC2)CC1 ZINC000565197159 292144989 /nfs/dbraw/zinc/14/49/89/292144989.db2.gz WZCWGXRZPZUXBV-UHFFFAOYSA-N 1 3 321.509 2.441 20 0 DEADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000346255933 146048682 /nfs/dbraw/zinc/04/86/82/146048682.db2.gz DJHIXPNTSQXLGK-QKPAOTATSA-N 1 3 309.498 2.342 20 0 DEADHO COc1ccc(-c2n[nH]cc2CN2CCC(C[NH3+])CC2)cc1 ZINC000346606390 146109104 /nfs/dbraw/zinc/10/91/04/146109104.db2.gz AKGFFGJHCQXLBL-UHFFFAOYSA-N 1 3 300.406 2.256 20 0 DEADHO CSc1cc2c(cc1CN1CCC(C[NH3+])CC1)OCCO2 ZINC000346631762 146113647 /nfs/dbraw/zinc/11/36/47/146113647.db2.gz DEJMSATZTJLQDN-UHFFFAOYSA-N 1 3 308.447 2.350 20 0 DEADHO O=C(NC[C@@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000346832691 146149603 /nfs/dbraw/zinc/14/96/03/146149603.db2.gz MDCJJWRQGHEOMJ-SJORKVTESA-N 1 3 315.461 2.128 20 0 DEADHO O=C(NC[C@@H]1CCC[N@H+](C[C@@H]2CCCNC2)C1)c1ccccc1 ZINC000346832691 146149605 /nfs/dbraw/zinc/14/96/05/146149605.db2.gz MDCJJWRQGHEOMJ-SJORKVTESA-N 1 3 315.461 2.128 20 0 DEADHO O=C(NC[C@@H]1CCC[N@@H+](C[C@@H]2CCCNC2)C1)c1ccccc1 ZINC000346832691 146149607 /nfs/dbraw/zinc/14/96/07/146149607.db2.gz MDCJJWRQGHEOMJ-SJORKVTESA-N 1 3 315.461 2.128 20 0 DEADHO Cn1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(-c2ccncc2)n1 ZINC000346857556 146154686 /nfs/dbraw/zinc/15/46/86/146154686.db2.gz WYCQHSIYYZGACW-USXIJHARSA-N 1 3 311.433 2.041 20 0 DEADHO C[C@@H]1CN(CCc2ccccc2F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000346916308 146164405 /nfs/dbraw/zinc/16/44/05/146164405.db2.gz MJIMTDCFORLXPT-APWZRJJASA-N 1 3 319.468 2.326 20 0 DEADHO C[C@@H]1C[N@H+](CCc2ccccc2F)CC[C@@H]1N1CCN(C)CC1 ZINC000346916308 146164406 /nfs/dbraw/zinc/16/44/06/146164406.db2.gz MJIMTDCFORLXPT-APWZRJJASA-N 1 3 319.468 2.326 20 0 DEADHO C[C@@H]1C[N@@H+](CCc2ccccc2F)CC[C@@H]1N1CCN(C)CC1 ZINC000346916308 146164407 /nfs/dbraw/zinc/16/44/07/146164407.db2.gz MJIMTDCFORLXPT-APWZRJJASA-N 1 3 319.468 2.326 20 0 DEADHO CCN(C[C@H]1CCN(C[C@H]2CCC[NH2+]C2)C1)CC(F)(F)F ZINC000347002720 146177230 /nfs/dbraw/zinc/17/72/30/146177230.db2.gz JOQFDHZYIWQBGG-UONOGXRCSA-N 1 3 307.404 2.192 20 0 DEADHO CCN(C[C@H]1CC[N@H+](C[C@H]2CCCNC2)C1)CC(F)(F)F ZINC000347002720 146177231 /nfs/dbraw/zinc/17/72/31/146177231.db2.gz JOQFDHZYIWQBGG-UONOGXRCSA-N 1 3 307.404 2.192 20 0 DEADHO CCN(C[C@H]1CC[N@@H+](C[C@H]2CCCNC2)C1)CC(F)(F)F ZINC000347002720 146177233 /nfs/dbraw/zinc/17/72/33/146177233.db2.gz JOQFDHZYIWQBGG-UONOGXRCSA-N 1 3 307.404 2.192 20 0 DEADHO CCN1CCN(c2ccccc2CN2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000347032166 146183420 /nfs/dbraw/zinc/18/34/20/146183420.db2.gz YZNZSYKRMGQHNL-CALCHBBNSA-N 1 3 316.493 2.011 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000349117691 146351919 /nfs/dbraw/zinc/35/19/19/146351919.db2.gz KWQZKXQOMAGMJM-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000349117691 146351920 /nfs/dbraw/zinc/35/19/20/146351920.db2.gz KWQZKXQOMAGMJM-SJORKVTESA-N 1 3 309.498 2.489 20 0 DEADHO CC[N@H+](CCC1CCN(CCn2cncn2)CC1)CC1CC1 ZINC000357072972 147035317 /nfs/dbraw/zinc/03/53/17/147035317.db2.gz DMMONENKYKUICE-UHFFFAOYSA-N 1 3 305.470 2.112 20 0 DEADHO CC[N@@H+](CCC1CCN(CCn2cncn2)CC1)CC1CC1 ZINC000357072972 147035321 /nfs/dbraw/zinc/03/53/21/147035321.db2.gz DMMONENKYKUICE-UHFFFAOYSA-N 1 3 305.470 2.112 20 0 DEADHO C[N@H+](CCNC(=O)[C@@H](CN)c1ccc(F)cc1)C1CCCCC1 ZINC000358861517 147220960 /nfs/dbraw/zinc/22/09/60/147220960.db2.gz SALZDUJMNSAYTA-KRWDZBQOSA-N 1 3 321.440 2.249 20 0 DEADHO C[N@@H+](CCNC(=O)[C@@H](CN)c1ccc(F)cc1)C1CCCCC1 ZINC000358861517 147220961 /nfs/dbraw/zinc/22/09/61/147220961.db2.gz SALZDUJMNSAYTA-KRWDZBQOSA-N 1 3 321.440 2.249 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000359238447 147288427 /nfs/dbraw/zinc/28/84/27/147288427.db2.gz QVEQWBKKOLKJBV-HZPDHXFCSA-N 1 3 322.497 2.034 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000359238447 147288429 /nfs/dbraw/zinc/28/84/29/147288429.db2.gz QVEQWBKKOLKJBV-HZPDHXFCSA-N 1 3 322.497 2.034 20 0 DEADHO [NH3+]CCCN(CCC(=O)NC1CCCC1)Cc1ccccc1 ZINC000359301644 147302771 /nfs/dbraw/zinc/30/27/71/147302771.db2.gz ICCKRGSXIVPUNE-UHFFFAOYSA-N 1 3 303.450 2.286 20 0 DEADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@H](Cc1ccccc1)N(C)C ZINC000359368509 147316431 /nfs/dbraw/zinc/31/64/31/147316431.db2.gz GKEWMXVDONSXNL-FPAYPSAMSA-N 1 3 303.494 2.478 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H](Cc1ccccc1)N(C)C ZINC000359368509 147316433 /nfs/dbraw/zinc/31/64/33/147316433.db2.gz GKEWMXVDONSXNL-FPAYPSAMSA-N 1 3 303.494 2.478 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H](Cc1ccccc1)N(C)C ZINC000359368509 147316435 /nfs/dbraw/zinc/31/64/35/147316435.db2.gz GKEWMXVDONSXNL-FPAYPSAMSA-N 1 3 303.494 2.478 20 0 DEADHO CC(C)[NH+](CCNC(=O)N1CCCC12CCN(C)CC2)C(C)C ZINC000372434119 148208911 /nfs/dbraw/zinc/20/89/11/148208911.db2.gz WGDUBEKHGGWNJN-UHFFFAOYSA-N 1 3 324.513 2.375 20 0 DEADHO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2NCCCC[NH3+])cc1 ZINC000423335010 292186205 /nfs/dbraw/zinc/18/62/05/292186205.db2.gz TUZYLCDTTKSIGD-SJORKVTESA-N 1 3 324.490 2.408 20 0 DEADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccccc1CN1CCCC1=O ZINC000566089129 292203969 /nfs/dbraw/zinc/20/39/69/292203969.db2.gz SXCIAHVZOOIPGB-PBHICJAKSA-N 1 3 301.434 2.026 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)N(C)C ZINC000126501971 401697583 /nfs/dbraw/zinc/69/75/83/401697583.db2.gz CKRIRAYGFUEERE-SJORKVTESA-N 1 3 309.498 2.297 20 0 DEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC2CCN(C)CC2)C1 ZINC000071923109 401697950 /nfs/dbraw/zinc/69/79/50/401697950.db2.gz MPECKXVDQNSMFG-HZPDHXFCSA-N 1 3 324.513 2.138 20 0 DEADHO CCCCN1CCC([NH2+]CCC(=O)Nc2cccnc2)CC1 ZINC000566118686 292207229 /nfs/dbraw/zinc/20/72/29/292207229.db2.gz YICHWGZOYSKDCW-UHFFFAOYSA-N 1 3 304.438 2.264 20 0 DEADHO CCCC[NH+]1CCC(NCCC(=O)Nc2cccnc2)CC1 ZINC000566118686 292207231 /nfs/dbraw/zinc/20/72/31/292207231.db2.gz YICHWGZOYSKDCW-UHFFFAOYSA-N 1 3 304.438 2.264 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000126665618 401703612 /nfs/dbraw/zinc/70/36/12/401703612.db2.gz DFLROOJUXHDPIG-SJLPKXTDSA-N 1 3 319.493 2.194 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000126665618 401703615 /nfs/dbraw/zinc/70/36/15/401703615.db2.gz DFLROOJUXHDPIG-SJLPKXTDSA-N 1 3 319.493 2.194 20 0 DEADHO CC[N@@H+]1CC[C@H](NCCC(=O)NCc2ccccc2)[C@H](C)C1 ZINC000129216385 401800817 /nfs/dbraw/zinc/80/08/17/401800817.db2.gz IBXRCAIUUAILHR-WBVHZDCISA-N 1 3 303.450 2.013 20 0 DEADHO CC[N@H+]1CC[C@H](NCCC(=O)NCc2ccccc2)[C@H](C)C1 ZINC000129216385 401800820 /nfs/dbraw/zinc/80/08/20/401800820.db2.gz IBXRCAIUUAILHR-WBVHZDCISA-N 1 3 303.450 2.013 20 0 DEADHO Cc1cc(C)cc(CCC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000129364723 401802673 /nfs/dbraw/zinc/80/26/73/401802673.db2.gz FYHCRRRSTUBMNM-UHFFFAOYSA-N 1 3 319.493 2.188 20 0 DEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000075346674 401758084 /nfs/dbraw/zinc/75/80/84/401758084.db2.gz NNCOYRIWDPSVFI-QGZVFWFLSA-N 1 3 303.450 2.305 20 0 DEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCN(CC)C1CC1 ZINC000113404470 401778115 /nfs/dbraw/zinc/77/81/15/401778115.db2.gz GIFAIASFECMTSI-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCCN(CC)C1CC1 ZINC000113404470 401778116 /nfs/dbraw/zinc/77/81/16/401778116.db2.gz GIFAIASFECMTSI-OAHLLOKOSA-N 1 3 310.486 2.034 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000113901547 401787027 /nfs/dbraw/zinc/78/70/27/401787027.db2.gz RECZERHAMNSLJA-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000113901547 401787031 /nfs/dbraw/zinc/78/70/31/401787031.db2.gz RECZERHAMNSLJA-IRXDYDNUSA-N 1 3 309.498 2.440 20 0 DEADHO CN1CCC(Nc2ccccc2NC(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000130628214 401836258 /nfs/dbraw/zinc/83/62/58/401836258.db2.gz SRTUNUOWQYXBMQ-CQSZACIVSA-N 1 3 316.449 2.131 20 0 DEADHO CC(C)[NH+](CCNC(=O)N(C)C[C@@H]1CCCN(C)C1)C(C)C ZINC000115782771 401837156 /nfs/dbraw/zinc/83/71/56/401837156.db2.gz AXLLJDFBVCOBOU-MRXNPFEDSA-N 1 3 312.502 2.088 20 0 DEADHO CN1CC[C@H](N2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000116276638 401847569 /nfs/dbraw/zinc/84/75/69/401847569.db2.gz LQBLEQFXABMRRM-SFHVURJKSA-N 1 3 315.461 2.061 20 0 DEADHO CN1CC[C@H](N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000116276638 401847573 /nfs/dbraw/zinc/84/75/73/401847573.db2.gz LQBLEQFXABMRRM-SFHVURJKSA-N 1 3 315.461 2.061 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000078536008 401855010 /nfs/dbraw/zinc/85/50/10/401855010.db2.gz WGTJPTHEOOZGMD-INIZCTEOSA-N 1 3 324.513 2.425 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)N(CCN(C)C)Cc2ccco2)CC1 ZINC000088348402 401932814 /nfs/dbraw/zinc/93/28/14/401932814.db2.gz ZISVKICZCVXZNN-UHFFFAOYSA-N 1 3 321.465 2.290 20 0 DEADHO CC[N@@H+]1CC[C@@H](NCCNC(=O)c2ccc(C)c(F)c2)[C@H](C)C1 ZINC000133898806 401896431 /nfs/dbraw/zinc/89/64/31/401896431.db2.gz FAUBTOTWCIDESD-RHSMWYFYSA-N 1 3 321.440 2.184 20 0 DEADHO CC[N@H+]1CC[C@@H](NCCNC(=O)c2ccc(C)c(F)c2)[C@H](C)C1 ZINC000133898806 401896433 /nfs/dbraw/zinc/89/64/33/401896433.db2.gz FAUBTOTWCIDESD-RHSMWYFYSA-N 1 3 321.440 2.184 20 0 DEADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@@H]2CCC(C)C)CC1 ZINC000135321178 401936139 /nfs/dbraw/zinc/93/61/39/401936139.db2.gz JMGBVNWVIXNGIM-QGZVFWFLSA-N 1 3 309.498 2.488 20 0 DEADHO CC1CC[NH+](CCCNC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)CC1 ZINC000085388143 401915238 /nfs/dbraw/zinc/91/52/38/401915238.db2.gz KNPICYYKZOJHQW-IRXDYDNUSA-N 1 3 324.513 2.090 20 0 DEADHO CCCCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051242058 402032998 /nfs/dbraw/zinc/03/29/98/402032998.db2.gz UCYLQQVDYSNXOZ-UHFFFAOYSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1NCCC[NH+]1CCC(O)CC1 ZINC000151381924 402033223 /nfs/dbraw/zinc/03/32/23/402033223.db2.gz KQIIELAGPANANU-FZKQIMNGSA-N 1 3 306.425 2.495 20 0 DEADHO CCc1ccc([C@H](CNC(=O)NCC[N@@H+](C)CC)N(C)C)cc1 ZINC000120742079 402000192 /nfs/dbraw/zinc/00/01/92/402000192.db2.gz VHSWNWUVUORXHO-KRWDZBQOSA-N 1 3 320.481 2.103 20 0 DEADHO CCc1ccc([C@H](CNC(=O)NCC[N@H+](C)CC)N(C)C)cc1 ZINC000120742079 402000196 /nfs/dbraw/zinc/00/01/96/402000196.db2.gz VHSWNWUVUORXHO-KRWDZBQOSA-N 1 3 320.481 2.103 20 0 DEADHO COCCOc1cccc(C[N@H+](C)C[C@H]2CCCN(C)C2)c1 ZINC000092253476 402003196 /nfs/dbraw/zinc/00/31/96/402003196.db2.gz RKUVZVDOEZDBIR-KRWDZBQOSA-N 1 3 306.450 2.485 20 0 DEADHO COCCOc1cccc(C[N@@H+](C)C[C@H]2CCCN(C)C2)c1 ZINC000092253476 402003198 /nfs/dbraw/zinc/00/31/98/402003198.db2.gz RKUVZVDOEZDBIR-KRWDZBQOSA-N 1 3 306.450 2.485 20 0 DEADHO CN(C)CCC[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000151928493 402065951 /nfs/dbraw/zinc/06/59/51/402065951.db2.gz WAHAOYCJKJZCHH-UHFFFAOYSA-N 1 3 307.457 2.374 20 0 DEADHO C[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)CN1CCOCC1 ZINC000153109972 402127333 /nfs/dbraw/zinc/12/73/33/402127333.db2.gz MAOHMMRBVMABHA-QGZVFWFLSA-N 1 3 323.525 2.341 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@H](Cc1ccccc1)[NH+](CC)CC ZINC000155635389 402263864 /nfs/dbraw/zinc/26/38/64/402263864.db2.gz SNBDIHWSSXAJHW-NJAFHUGGSA-N 1 3 319.493 2.429 20 0 DEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H]1CCCN(C)C1 ZINC000108554303 402257040 /nfs/dbraw/zinc/25/70/40/402257040.db2.gz WZLCIJJBTUFLQF-SJORKVTESA-N 1 3 324.513 2.282 20 0 DEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H]1CCCN(C)C1 ZINC000108554303 402257042 /nfs/dbraw/zinc/25/70/42/402257042.db2.gz WZLCIJJBTUFLQF-SJORKVTESA-N 1 3 324.513 2.282 20 0 DEADHO C[C@H](CNC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(C)C1CC1 ZINC000105128434 402206828 /nfs/dbraw/zinc/20/68/28/402206828.db2.gz ISNXEBGOFOTBOC-OWCLPIDISA-N 1 3 324.513 2.136 20 0 DEADHO C[C@H](CNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N(C)C1CC1 ZINC000105128434 402206830 /nfs/dbraw/zinc/20/68/30/402206830.db2.gz ISNXEBGOFOTBOC-OWCLPIDISA-N 1 3 324.513 2.136 20 0 DEADHO CC[C@@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)N(C)C ZINC000125007951 402208698 /nfs/dbraw/zinc/20/86/98/402208698.db2.gz CGZQFFYBENQEOF-INIZCTEOSA-N 1 3 323.506 2.417 20 0 DEADHO COc1ccccc1[C@@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000154375057 402209026 /nfs/dbraw/zinc/20/90/26/402209026.db2.gz RQWZJNVWUMNXBB-MRXNPFEDSA-N 1 3 305.466 2.373 20 0 DEADHO CC(C)C(=O)NC[C@@H]1CCC[N@H+](CCCN2CCCCC2)C1 ZINC000125091271 402212748 /nfs/dbraw/zinc/21/27/48/402212748.db2.gz OFDBVYQWIYTEII-KRWDZBQOSA-N 1 3 309.498 2.347 20 0 DEADHO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](CCCN2CCCCC2)C1 ZINC000125091271 402212750 /nfs/dbraw/zinc/21/27/50/402212750.db2.gz OFDBVYQWIYTEII-KRWDZBQOSA-N 1 3 309.498 2.347 20 0 DEADHO CC(C)(C)OC(=O)N1CCC[C@@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000220788374 402303085 /nfs/dbraw/zinc/30/30/85/402303085.db2.gz NNDKCIYVWCSSRK-LSDHHAIUSA-N 1 3 323.481 2.460 20 0 DEADHO CC(C)(C)OC(=O)N1CCC[C@@H](NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000220788374 402303087 /nfs/dbraw/zinc/30/30/87/402303087.db2.gz NNDKCIYVWCSSRK-LSDHHAIUSA-N 1 3 323.481 2.460 20 0 DEADHO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)CN1CCC(C)CC1)CC2 ZINC000158897271 402313876 /nfs/dbraw/zinc/31/38/76/402313876.db2.gz AEMGFCQLZRHITG-APWZRJJASA-N 1 3 318.461 2.365 20 0 DEADHO C[C@@H](C[NH2+]C1CC(NC(=O)OC(C)(C)C)C1)CN1CCCC1 ZINC000229842868 402345594 /nfs/dbraw/zinc/34/55/94/402345594.db2.gz VUTTZXLBVGIOJQ-NFOMZHRRSA-N 1 3 311.470 2.364 20 0 DEADHO C[C@@H](CNC1CC(NC(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC000229842868 402345595 /nfs/dbraw/zinc/34/55/95/402345595.db2.gz VUTTZXLBVGIOJQ-NFOMZHRRSA-N 1 3 311.470 2.364 20 0 DEADHO C[NH+](C)C1CCN(CCNCC2=Cc3ccccc3OC2)CC1 ZINC000176989003 402357698 /nfs/dbraw/zinc/35/76/98/402357698.db2.gz UBEXVFCMLSOJGZ-UHFFFAOYSA-N 1 3 315.461 2.078 20 0 DEADHO CCCC[C@@H](N)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000236710268 402376931 /nfs/dbraw/zinc/37/69/31/402376931.db2.gz BUCHBOZHLYAAEN-IAGOWNOFSA-N 1 3 309.498 2.474 20 0 DEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](CN)c1ccccc1 ZINC000237519781 402411405 /nfs/dbraw/zinc/41/14/05/402411405.db2.gz NXJAPVFPBFMNLG-DFGXFYAUSA-N 1 3 317.477 2.212 20 0 DEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](CN)c1ccccc1 ZINC000237519781 402411409 /nfs/dbraw/zinc/41/14/09/402411409.db2.gz NXJAPVFPBFMNLG-DFGXFYAUSA-N 1 3 317.477 2.212 20 0 DEADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000237927714 402426753 /nfs/dbraw/zinc/42/67/53/402426753.db2.gz AUOKSUDLKIVXKA-ROUUACIJSA-N 1 3 315.461 2.299 20 0 DEADHO [NH3+]CC1(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CCCC1 ZINC000238053568 402435313 /nfs/dbraw/zinc/43/53/13/402435313.db2.gz OOYPSHBLZJEWKZ-KRWDZBQOSA-N 1 3 315.461 2.286 20 0 DEADHO O=C(N[C@@H]1CCN(CC2CCCC2)C1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000238133703 402439074 /nfs/dbraw/zinc/43/90/74/402439074.db2.gz QVICZUZFYSMYPX-MHORFTMASA-N 1 3 319.493 2.288 20 0 DEADHO CC[C@H](C)[C@@H](N)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000237045930 402392896 /nfs/dbraw/zinc/39/28/96/402392896.db2.gz QJJNMAOQHMQATL-YESZJQIVSA-N 1 3 309.498 2.330 20 0 DEADHO CCn1cc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000178038240 402454559 /nfs/dbraw/zinc/45/45/59/402454559.db2.gz BKRBSGJHWMGKPB-BZUAXINKSA-N 1 3 308.470 2.443 20 0 DEADHO CCN(CC)[C@H](CNC(=O)[C@]1(C)CC[NH2+]C1)c1ccsc1 ZINC000164901121 402470044 /nfs/dbraw/zinc/47/00/44/402470044.db2.gz JTELIBNZLMIUHE-GDBMZVCRSA-N 1 3 309.479 2.247 20 0 DEADHO CC[C@H](CNC(=O)C[C@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000164953520 402471297 /nfs/dbraw/zinc/47/12/97/402471297.db2.gz KYRCLGQZYGAXSG-QZTJIDSGSA-N 1 3 315.461 2.082 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000167326067 402490590 /nfs/dbraw/zinc/49/05/90/402490590.db2.gz ATWRACLYHOMTDN-MRXNPFEDSA-N 1 3 318.465 2.017 20 0 DEADHO C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[NH2+]2)CCN1Cc1ccccc1 ZINC000167540817 402492078 /nfs/dbraw/zinc/49/20/78/402492078.db2.gz ZZCJTBQENXFEKV-JQHSSLGASA-N 1 3 315.461 2.298 20 0 DEADHO Cc1ccc([C@@H](C)[NH2+]CCCCN2CCN(CCO)CC2)cc1 ZINC000168957167 402499622 /nfs/dbraw/zinc/49/96/22/402499622.db2.gz VERZAGVCPZFXGZ-GOSISDBHSA-N 1 3 319.493 2.036 20 0 DEADHO CCO[C@@H]1C[C@@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)C1(C)C ZINC000245955915 402500096 /nfs/dbraw/zinc/50/00/96/402500096.db2.gz XHRSTDKZPYSHJY-DJIMGWMZSA-N 1 3 310.482 2.281 20 0 DEADHO Cc1ccc(NC(=O)C[C@H]2CCC[NH2+]2)c(OCCN(C)C)c1 ZINC000169089166 402500197 /nfs/dbraw/zinc/50/01/97/402500197.db2.gz YFFKSSIBMWEPPJ-CQSZACIVSA-N 1 3 305.422 2.016 20 0 DEADHO CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]C2)[C@@H]1c1cccs1 ZINC000178816175 402543202 /nfs/dbraw/zinc/54/32/02/402543202.db2.gz JECCJPBRJCRXNQ-IIAWOOMASA-N 1 3 321.490 2.247 20 0 DEADHO N[C@@H](CC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000178817537 402543215 /nfs/dbraw/zinc/54/32/15/402543215.db2.gz OQDHVTXEPSLTFS-KRWDZBQOSA-N 1 3 301.434 2.067 20 0 DEADHO C[NH+](C)CCCCCCCNC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000171053434 402552594 /nfs/dbraw/zinc/55/25/94/402552594.db2.gz VSZSTWFMNBVRDZ-QGZVFWFLSA-N 1 3 324.513 2.378 20 0 DEADHO CCN1CCCC[C@@H]1CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000247012353 402553556 /nfs/dbraw/zinc/55/35/56/402553556.db2.gz LJXRPXGAUMTSEB-HRCADAONSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H](NCCn1cccn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000180431142 402616343 /nfs/dbraw/zinc/61/63/43/402616343.db2.gz KYJXXNWXIAWXRX-OAHLLOKOSA-N 1 3 302.422 2.174 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000566438634 292240671 /nfs/dbraw/zinc/24/06/71/292240671.db2.gz RBXCQJVNBXFXHF-NVXWUHKLSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000566438634 292240672 /nfs/dbraw/zinc/24/06/72/292240672.db2.gz RBXCQJVNBXFXHF-NVXWUHKLSA-N 1 3 315.461 2.107 20 0 DEADHO C[C@@H](C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)[C@H](C)[NH3+] ZINC000192099480 402711350 /nfs/dbraw/zinc/71/13/50/402711350.db2.gz BWKTYQLCGYRHRA-HLLBOEOZSA-N 1 3 303.450 2.093 20 0 DEADHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000262072008 402721875 /nfs/dbraw/zinc/72/18/75/402721875.db2.gz COMSTJUOIWZMGI-QGPMSJSTSA-N 1 3 304.434 2.414 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C[C@H](C)O1 ZINC000194007272 402781370 /nfs/dbraw/zinc/78/13/70/402781370.db2.gz WJNAAGUFLFJPPL-CWQOZTLDSA-N 1 3 322.493 2.423 20 0 DEADHO CN(CCNC(=O)C[C@@H]([NH3+])c1ccccc1)Cc1ccccc1 ZINC000263368580 402763089 /nfs/dbraw/zinc/76/30/89/402763089.db2.gz XELLXUSMVMMOAV-GOSISDBHSA-N 1 3 311.429 2.325 20 0 DEADHO CC1(C)CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CCN1 ZINC000175413298 402804802 /nfs/dbraw/zinc/80/48/02/402804802.db2.gz SUNGLFMWUSDSRP-UHFFFAOYSA-N 1 3 301.434 2.106 20 0 DEADHO CN(CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000264241680 402861627 /nfs/dbraw/zinc/86/16/27/402861627.db2.gz LKOHQPHWGKUHCK-UHFFFAOYSA-N 1 3 301.434 2.106 20 0 DEADHO Cc1ccc([C@H](CNC(=O)/C=C\C[NH+](C)C)N2CCCC2)cc1 ZINC000491889980 292251371 /nfs/dbraw/zinc/25/13/71/292251371.db2.gz XDBCFGJWRIFZAO-MJRGOJFPSA-N 1 3 315.461 2.366 20 0 DEADHO C[C@@H](CNC(=O)c1oc2ccccc2c1CN(C)C)[NH+](C)C ZINC000266514412 402969742 /nfs/dbraw/zinc/96/97/42/402969742.db2.gz HSEMWCGVYHLUHR-LBPRGKRZSA-N 1 3 303.406 2.174 20 0 DEADHO CCC[C@@](C)(N)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000272386567 402931032 /nfs/dbraw/zinc/93/10/32/402931032.db2.gz XDVCOCIXCQUATM-GOSISDBHSA-N 1 3 318.465 2.285 20 0 DEADHO CCC[C@@](C)(N)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000272386567 402931034 /nfs/dbraw/zinc/93/10/34/402931034.db2.gz XDVCOCIXCQUATM-GOSISDBHSA-N 1 3 318.465 2.285 20 0 DEADHO Cc1ccc([C@H](CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])N2CCCC2)o1 ZINC000422885177 292255697 /nfs/dbraw/zinc/25/56/97/292255697.db2.gz YISIUYXSNJMTEX-NXOAAHMSSA-N 1 3 321.465 2.067 20 0 DEADHO C[C@H]([NH2+]CCNC(=O)C1CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274825136 403091514 /nfs/dbraw/zinc/09/15/14/403091514.db2.gz CEPPEXOYWYGGIO-MAUKXSAKSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@H](NCCNC(=O)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274825136 403091517 /nfs/dbraw/zinc/09/15/17/403091517.db2.gz CEPPEXOYWYGGIO-MAUKXSAKSA-N 1 3 315.461 2.013 20 0 DEADHO C[C@H](NCCNC(=O)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274825136 403091519 /nfs/dbraw/zinc/09/15/19/403091519.db2.gz CEPPEXOYWYGGIO-MAUKXSAKSA-N 1 3 315.461 2.013 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)[C@]23CCC[C@@H]2C[NH2+]C3)N(C)C)cc1 ZINC000280948224 403053255 /nfs/dbraw/zinc/05/32/55/403053255.db2.gz XBFFZXFWSRUFFY-LMMKCTJWSA-N 1 3 315.461 2.104 20 0 DEADHO CN(c1ccccc1C[NH2+]C[C@H](O)C1CC1)C1CCN(C)CC1 ZINC000268384728 403078828 /nfs/dbraw/zinc/07/88/28/403078828.db2.gz VUTDLKVLRFKDST-IBGZPJMESA-N 1 3 317.477 2.078 20 0 DEADHO CN(c1ccccc1CNC[C@H](O)C1CC1)C1CC[NH+](C)CC1 ZINC000268384728 403078829 /nfs/dbraw/zinc/07/88/29/403078829.db2.gz VUTDLKVLRFKDST-IBGZPJMESA-N 1 3 317.477 2.078 20 0 DEADHO CNC(=O)C[C@@H](C)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000268477402 403087021 /nfs/dbraw/zinc/08/70/21/403087021.db2.gz NZZUTMOSAMWWCI-OAHLLOKOSA-N 1 3 303.450 2.287 20 0 DEADHO Cc1n[nH]c(CC[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000274819023 403090933 /nfs/dbraw/zinc/09/09/33/403090933.db2.gz ZZGPCTRLMGCQMS-WMLDXEAASA-N 1 3 313.449 2.156 20 0 DEADHO CC(C)N1CCC([NH2+]Cc2ccccc2Cn2cncn2)CC1 ZINC000268766307 403111642 /nfs/dbraw/zinc/11/16/42/403111642.db2.gz NPTZZQKSECBKKN-UHFFFAOYSA-N 1 3 313.449 2.289 20 0 DEADHO CNC(=O)C[C@H](C)[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000268824839 403117994 /nfs/dbraw/zinc/11/79/94/403117994.db2.gz QIVCDVJCXLECBF-ZDUSSCGKSA-N 1 3 309.479 2.074 20 0 DEADHO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)CN1CCCC1)CCC2 ZINC000268825386 403118026 /nfs/dbraw/zinc/11/80/26/403118026.db2.gz ISGYPNUJJROENH-YJBOKZPZSA-N 1 3 304.434 2.119 20 0 DEADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CC1(N(C)C)Cc2ccccc2C1 ZINC000268920029 403121464 /nfs/dbraw/zinc/12/14/64/403121464.db2.gz UHQWVTQHLGYOIY-GPMSIDNRSA-N 1 3 315.505 2.404 20 0 DEADHO [NH3+]C[C@H]1CCC[C@H]1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000269267301 403126673 /nfs/dbraw/zinc/12/66/73/403126673.db2.gz LDGLSUOHYFJLSK-QZTJIDSGSA-N 1 3 315.461 2.142 20 0 DEADHO CN1CCN(CC[NH2+][C@@H]2CCc3ccccc3C2)CC1(C)C ZINC000282320329 403143133 /nfs/dbraw/zinc/14/31/33/403143133.db2.gz KZLZJQQJKHZPAD-GOSISDBHSA-N 1 3 301.478 2.160 20 0 DEADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000277398514 403213302 /nfs/dbraw/zinc/21/33/02/403213302.db2.gz DQUSMFZVTAFHAW-QAPCUYQASA-N 1 3 315.461 2.013 20 0 DEADHO CN(C)C1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)Cc2ccccc2C1 ZINC000339071016 403343257 /nfs/dbraw/zinc/34/32/57/403343257.db2.gz OPXRHXGOTRSAMX-OALUTQOASA-N 1 3 313.489 2.302 20 0 DEADHO CN(C)C1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)Cc2ccccc2C1 ZINC000339071016 403343260 /nfs/dbraw/zinc/34/32/60/403343260.db2.gz OPXRHXGOTRSAMX-OALUTQOASA-N 1 3 313.489 2.302 20 0 DEADHO COc1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(OC)c1 ZINC000339071090 403343381 /nfs/dbraw/zinc/34/33/81/403343381.db2.gz PTNPECWXRIPOLR-JKSUJKDBSA-N 1 3 304.434 2.463 20 0 DEADHO COc1ccc(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(OC)c1 ZINC000339071090 403343387 /nfs/dbraw/zinc/34/33/87/403343387.db2.gz PTNPECWXRIPOLR-JKSUJKDBSA-N 1 3 304.434 2.463 20 0 DEADHO COC1CCN(C(C)(C)CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000339072678 403343909 /nfs/dbraw/zinc/34/39/09/403343909.db2.gz YYVQXADSADINFX-HZPDHXFCSA-N 1 3 309.498 2.092 20 0 DEADHO COC1CCN(C(C)(C)CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000339072678 403343911 /nfs/dbraw/zinc/34/39/11/403343911.db2.gz YYVQXADSADINFX-HZPDHXFCSA-N 1 3 309.498 2.092 20 0 DEADHO c1cc(CN2CCC(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)ccn1 ZINC000339077128 403346050 /nfs/dbraw/zinc/34/60/50/403346050.db2.gz ZEBYLNLHTJVGLF-OALUTQOASA-N 1 3 314.477 2.262 20 0 DEADHO c1cc(CN2CCC(N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)ccn1 ZINC000339077128 403346055 /nfs/dbraw/zinc/34/60/55/403346055.db2.gz ZEBYLNLHTJVGLF-OALUTQOASA-N 1 3 314.477 2.262 20 0 DEADHO CCO[C@H](CC[NH+](C)C)CNCc1cnc(C(C)(C)C)nc1 ZINC000342777981 403346652 /nfs/dbraw/zinc/34/66/52/403346652.db2.gz AKFNGRQGQXHYEA-OAHLLOKOSA-N 1 3 308.470 2.221 20 0 DEADHO COC(=O)[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)C[C@@H]1c1ccccc1 ZINC000339058394 403338439 /nfs/dbraw/zinc/33/84/39/403338439.db2.gz CRJSXMNJZBXQOY-RCCFBDPRSA-N 1 3 316.445 2.359 20 0 DEADHO COC(=O)[C@@H]1CN(CC[C@@H]2CCC[N@H+]2C)C[C@@H]1c1ccccc1 ZINC000339058394 403338443 /nfs/dbraw/zinc/33/84/43/403338443.db2.gz CRJSXMNJZBXQOY-RCCFBDPRSA-N 1 3 316.445 2.359 20 0 DEADHO COC(=O)[C@@H]1C[N@H+](CC[C@@H]2CCCN2C)C[C@@H]1c1ccccc1 ZINC000339058394 403338447 /nfs/dbraw/zinc/33/84/47/403338447.db2.gz CRJSXMNJZBXQOY-RCCFBDPRSA-N 1 3 316.445 2.359 20 0 DEADHO COC(=O)[C@@H]1C[N@@H+](CC[C@@H]2CCCN2C)C[C@@H]1c1ccccc1 ZINC000339058394 403338449 /nfs/dbraw/zinc/33/84/49/403338449.db2.gz CRJSXMNJZBXQOY-RCCFBDPRSA-N 1 3 316.445 2.359 20 0 DEADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)C1 ZINC000285723925 403365581 /nfs/dbraw/zinc/36/55/81/403365581.db2.gz QGYGAYLYBOPWFA-QWHCGFSZSA-N 1 3 303.406 2.010 20 0 DEADHO OC[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccc(F)cc1 ZINC000339067785 403342405 /nfs/dbraw/zinc/34/24/05/403342405.db2.gz IHOFLSBADYXUQX-SZMVWBNQSA-N 1 3 306.425 2.193 20 0 DEADHO OC[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccc(F)cc1 ZINC000339067785 403342411 /nfs/dbraw/zinc/34/24/11/403342411.db2.gz IHOFLSBADYXUQX-SZMVWBNQSA-N 1 3 306.425 2.193 20 0 DEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000342912651 403394345 /nfs/dbraw/zinc/39/43/45/403394345.db2.gz CZJIPXDYRBZOMN-GJZGRUSLSA-N 1 3 303.450 2.237 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)N(C)C ZINC000298634547 403429637 /nfs/dbraw/zinc/42/96/37/403429637.db2.gz QUONULMQIHEUQF-RYQLBKOJSA-N 1 3 317.477 2.353 20 0 DEADHO CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)N(C)C ZINC000298634547 403429641 /nfs/dbraw/zinc/42/96/41/403429641.db2.gz QUONULMQIHEUQF-RYQLBKOJSA-N 1 3 317.477 2.353 20 0 DEADHO CCn1cc(CCN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)cn1 ZINC000339662478 403409612 /nfs/dbraw/zinc/40/96/12/403409612.db2.gz JNJUSXCJHXOPDK-JWTNVVGKSA-N 1 3 320.481 2.019 20 0 DEADHO CCn1cc(CCN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cn1 ZINC000339662478 403409613 /nfs/dbraw/zinc/40/96/13/403409613.db2.gz JNJUSXCJHXOPDK-JWTNVVGKSA-N 1 3 320.481 2.019 20 0 DEADHO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H](N)CC(F)F)cc21 ZINC000345717073 403452157 /nfs/dbraw/zinc/45/21/57/403452157.db2.gz RLZBQJRCUWXBSV-CYBMUJFWSA-N 1 3 324.375 2.124 20 0 DEADHO O=C1COc2ccc(CNCCCCC[NH+]3CCCC3)cc2N1 ZINC000293627762 403522736 /nfs/dbraw/zinc/52/27/36/403522736.db2.gz LEAMWSCMJNUSNN-UHFFFAOYSA-N 1 3 317.433 2.373 20 0 DEADHO C[C@@H](C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000346157369 403576568 /nfs/dbraw/zinc/57/65/68/403576568.db2.gz KITQDAOEWWKIEN-ZCVDQKGDSA-N 1 3 321.509 2.436 20 0 DEADHO C[C@@H](C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000346157369 403576572 /nfs/dbraw/zinc/57/65/72/403576572.db2.gz KITQDAOEWWKIEN-ZCVDQKGDSA-N 1 3 321.509 2.436 20 0 DEADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2nccnc2C)[C@@H](C)C1 ZINC000340488475 403626548 /nfs/dbraw/zinc/62/65/48/403626548.db2.gz BMNYKIYRKFJKFN-DOTOQJQBSA-N 1 3 320.481 2.054 20 0 DEADHO CCOCCC[N@H+]1CC[C@@H](NCCc2nccnc2C)[C@@H](C)C1 ZINC000340488475 403626554 /nfs/dbraw/zinc/62/65/54/403626554.db2.gz BMNYKIYRKFJKFN-DOTOQJQBSA-N 1 3 320.481 2.054 20 0 DEADHO COC(C)(C)[C@@H](C)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000340518512 403634738 /nfs/dbraw/zinc/63/47/38/403634738.db2.gz UKSIBSWLYSNXEL-PBHICJAKSA-N 1 3 306.450 2.156 20 0 DEADHO C(Cc1nnc2n1CCCCC2)N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000333347964 403730800 /nfs/dbraw/zinc/73/08/00/403730800.db2.gz ZRTMUPVDSMIIIZ-ARFHVFGLSA-N 1 3 317.481 2.057 20 0 DEADHO C[C@@H]1CCC[C@](CNC(=O)N[C@H]2CCN(C)[C@@H](C)C2)([NH+](C)C)C1 ZINC000341009975 403734085 /nfs/dbraw/zinc/73/40/85/403734085.db2.gz DWHPHEDMWIILTA-CVYDXHPNSA-N 1 3 324.513 2.279 20 0 DEADHO C[C@H]1[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CCCN1C ZINC000343798700 403738690 /nfs/dbraw/zinc/73/86/90/403738690.db2.gz NKSCQCUDCNXLGZ-ZFWWWQNUSA-N 1 3 310.486 2.031 20 0 DEADHO CC[NH+]1CCC(CCNC(=O)c2ccc3c(c2)CNC3)CC1 ZINC000347534405 403743911 /nfs/dbraw/zinc/74/39/11/403743911.db2.gz PKTBCLDDONFJED-UHFFFAOYSA-N 1 3 301.434 2.142 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@@H]2CCCN(C)[C@@H]2C)C1 ZINC000343841335 403754505 /nfs/dbraw/zinc/75/45/05/403754505.db2.gz RTLLMHXNXHMBCE-BRWVUGGUSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H]2CCCN(C)[C@@H]2C)C1 ZINC000343841335 403754509 /nfs/dbraw/zinc/75/45/09/403754509.db2.gz RTLLMHXNXHMBCE-BRWVUGGUSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@H]2CCCN(C)[C@H]2C)C1 ZINC000343841336 403754758 /nfs/dbraw/zinc/75/47/58/403754758.db2.gz RTLLMHXNXHMBCE-IKGGRYGDSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@H]2CCCN(C)[C@H]2C)C1 ZINC000343841336 403754763 /nfs/dbraw/zinc/75/47/63/403754763.db2.gz RTLLMHXNXHMBCE-IKGGRYGDSA-N 1 3 324.513 2.280 20 0 DEADHO NC1(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)CCCCC1 ZINC000333678233 403812491 /nfs/dbraw/zinc/81/24/91/403812491.db2.gz ZGENVBGNWUTROQ-UHFFFAOYSA-N 1 3 308.451 2.210 20 0 DEADHO NCc1cn([C@@H]2CCC[N@@H+]([C@@H]3CCc4ccc(F)cc43)C2)nn1 ZINC000333681733 403813615 /nfs/dbraw/zinc/81/36/15/403813615.db2.gz OXLOBIVKWYINLA-NVXWUHKLSA-N 1 3 315.396 2.200 20 0 DEADHO NCc1cn([C@@H]2CCC[N@H+]([C@@H]3CCc4ccc(F)cc43)C2)nn1 ZINC000333681733 403813619 /nfs/dbraw/zinc/81/36/19/403813619.db2.gz OXLOBIVKWYINLA-NVXWUHKLSA-N 1 3 315.396 2.200 20 0 DEADHO NCc1cn([C@@H]2CCC[N@@H+]([C@H]3CCc4ccc(F)cc43)C2)nn1 ZINC000333681735 403814288 /nfs/dbraw/zinc/81/42/88/403814288.db2.gz OXLOBIVKWYINLA-WBVHZDCISA-N 1 3 315.396 2.200 20 0 DEADHO NCc1cn([C@@H]2CCC[N@H+]([C@H]3CCc4ccc(F)cc43)C2)nn1 ZINC000333681735 403814294 /nfs/dbraw/zinc/81/42/94/403814294.db2.gz OXLOBIVKWYINLA-WBVHZDCISA-N 1 3 315.396 2.200 20 0 DEADHO C[C@@H]1CN(CCC2CC[NH+](CCc3cn[nH]c3)CC2)C[C@H](C)O1 ZINC000347732189 403831829 /nfs/dbraw/zinc/83/18/29/403831829.db2.gz FANHQCGWTZKBIP-IYBDPMFKSA-N 1 3 320.481 2.164 20 0 DEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCCN1CC ZINC000341109375 403778680 /nfs/dbraw/zinc/77/86/80/403778680.db2.gz SNJBPOVAUBAMFC-IAGOWNOFSA-N 1 3 324.513 2.425 20 0 DEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCCN1CC ZINC000341109375 403778685 /nfs/dbraw/zinc/77/86/85/403778685.db2.gz SNJBPOVAUBAMFC-IAGOWNOFSA-N 1 3 324.513 2.425 20 0 DEADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@]2(COC)CCCN2)C12CCCCC2 ZINC000423417488 286389575 /nfs/dbraw/zinc/38/95/75/286389575.db2.gz SLQSLQYGEUNHSW-GVDBMIGSSA-N 1 3 310.482 2.473 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000341300411 403894932 /nfs/dbraw/zinc/89/49/32/403894932.db2.gz QGICIPQUABJBMX-DOTOQJQBSA-N 1 3 324.513 2.280 20 0 DEADHO CC[C@](C)(NCc1ccc(C[NH+]2CCCCC2)cc1)C(N)=O ZINC000411396525 403843413 /nfs/dbraw/zinc/84/34/13/403843413.db2.gz XXSBIVAXGDCBQH-SFHVURJKSA-N 1 3 303.450 2.416 20 0 DEADHO COc1ccc(C)cc1CN(C)CCC[N@H+](C)CCN(C)C ZINC000344029556 403859053 /nfs/dbraw/zinc/85/90/53/403859053.db2.gz NKSCYIDRXKLJMR-UHFFFAOYSA-N 1 3 307.482 2.319 20 0 DEADHO COc1ccc(C)cc1CN(C)CCC[N@@H+](C)CCN(C)C ZINC000344029556 403859059 /nfs/dbraw/zinc/85/90/59/403859059.db2.gz NKSCYIDRXKLJMR-UHFFFAOYSA-N 1 3 307.482 2.319 20 0 DEADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@@]3(O)CCSC3)CC2)C1 ZINC000305188149 403869326 /nfs/dbraw/zinc/86/93/26/403869326.db2.gz XQAKLJJSWHAGMQ-OIISXLGYSA-N 1 3 312.523 2.487 20 0 DEADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C[C@@]3(O)CCSC3)CC2)C1 ZINC000305188149 403869334 /nfs/dbraw/zinc/86/93/34/403869334.db2.gz XQAKLJJSWHAGMQ-OIISXLGYSA-N 1 3 312.523 2.487 20 0 DEADHO CC(C)[NH2+]CC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000309917952 403964677 /nfs/dbraw/zinc/96/46/77/403964677.db2.gz PGDBWRQHVODUDN-UHFFFAOYSA-N 1 3 303.450 2.107 20 0 DEADHO COc1ccc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000289377802 403936094 /nfs/dbraw/zinc/93/60/94/403936094.db2.gz BYPFUWZDCPWJDH-UHFFFAOYSA-N 1 3 317.477 2.155 20 0 DEADHO C[C@H](O)CCC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000354818371 404033029 /nfs/dbraw/zinc/03/30/29/404033029.db2.gz LEECDJAQPPOSGO-YESZJQIVSA-N 1 3 312.498 2.359 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H](C(C)(C)C)C2)CC1 ZINC000344208966 403979291 /nfs/dbraw/zinc/97/92/91/403979291.db2.gz KPKWQQSNAMLDSV-HNNXBMFYSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1cn[nH]c1 ZINC000296081102 404083347 /nfs/dbraw/zinc/08/33/47/404083347.db2.gz SPDZMCXZEGHIBL-HNNXBMFYSA-N 1 3 313.449 2.008 20 0 DEADHO O=C(C[C@H]1CCC[NH2+]C1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000320125587 404061123 /nfs/dbraw/zinc/06/11/23/404061123.db2.gz JNMZGSGHXWNRNG-SJLPKXTDSA-N 1 3 315.461 2.329 20 0 DEADHO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCCCN(C)Cc1ccccc1 ZINC000290154195 404062366 /nfs/dbraw/zinc/06/23/66/404062366.db2.gz LLSDNVQQHDVQPY-QZTJIDSGSA-N 1 3 317.477 2.259 20 0 DEADHO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000320586791 404066781 /nfs/dbraw/zinc/06/67/81/404066781.db2.gz BQOQGVGOHLTBCM-WMZOPIPTSA-N 1 3 318.461 2.117 20 0 DEADHO Cc1ccc(C)c(OC[C@@H](O)CNC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000320586791 404066792 /nfs/dbraw/zinc/06/67/92/404066792.db2.gz BQOQGVGOHLTBCM-WMZOPIPTSA-N 1 3 318.461 2.117 20 0 DEADHO Cc1ccc(C)c(OC[C@@H](O)CNC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000320586791 404066800 /nfs/dbraw/zinc/06/68/00/404066800.db2.gz BQOQGVGOHLTBCM-WMZOPIPTSA-N 1 3 318.461 2.117 20 0 DEADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000290168047 404067020 /nfs/dbraw/zinc/06/70/20/404067020.db2.gz MNEYJEXBZUHCJW-KSZLIROESA-N 1 3 315.461 2.011 20 0 DEADHO CCc1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000320910884 404070239 /nfs/dbraw/zinc/07/02/39/404070239.db2.gz DBIIEOYZNVDWDW-AEFFLSMTSA-N 1 3 318.461 2.063 20 0 DEADHO CCc1cccc(OC[C@@H](O)CNC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000320910884 404070247 /nfs/dbraw/zinc/07/02/47/404070247.db2.gz DBIIEOYZNVDWDW-AEFFLSMTSA-N 1 3 318.461 2.063 20 0 DEADHO CCc1cccc(OC[C@@H](O)CNC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000320910884 404070254 /nfs/dbraw/zinc/07/02/54/404070254.db2.gz DBIIEOYZNVDWDW-AEFFLSMTSA-N 1 3 318.461 2.063 20 0 DEADHO CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)C(C)C)C[C@@]2(C)C1 ZINC001422872644 1172891420 /nfs/dbraw/zinc/89/14/20/1172891420.db2.gz DCBMOORAINBUPD-HDICACEKSA-N 1 3 309.498 2.297 20 0 DEADHO CCCC[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)C(C)C)C[C@@]2(C)C1 ZINC001422872644 1172891422 /nfs/dbraw/zinc/89/14/22/1172891422.db2.gz DCBMOORAINBUPD-HDICACEKSA-N 1 3 309.498 2.297 20 0 DEADHO CN(C)[C@@H](CNC(=O)[C@H]1C[NH2+]Cc2ccccc21)c1ccccc1 ZINC000325673168 404103293 /nfs/dbraw/zinc/10/32/93/404103293.db2.gz MGJRTPIJNSCRPL-OALUTQOASA-N 1 3 323.440 2.293 20 0 DEADHO C[C@H](NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)C1=CCN(C)CC1 ZINC000352072852 404125466 /nfs/dbraw/zinc/12/54/66/404125466.db2.gz AUGCQJRKGNFICV-GJZGRUSLSA-N 1 3 322.497 2.009 20 0 DEADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000349663921 404172512 /nfs/dbraw/zinc/17/25/12/404172512.db2.gz FNVADXKNKTYWMA-WBVHZDCISA-N 1 3 324.513 2.233 20 0 DEADHO CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000355079971 404205339 /nfs/dbraw/zinc/20/53/39/404205339.db2.gz KAHJIHWKXLLHPX-SJORKVTESA-N 1 3 324.513 2.377 20 0 DEADHO CN(C)CCN(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000363937049 404258886 /nfs/dbraw/zinc/25/88/86/404258886.db2.gz JEEIJGHVPIGTAX-WBVHZDCISA-N 1 3 322.497 2.129 20 0 DEADHO CN(C)CCN(C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000363937049 404258890 /nfs/dbraw/zinc/25/88/90/404258890.db2.gz JEEIJGHVPIGTAX-WBVHZDCISA-N 1 3 322.497 2.129 20 0 DEADHO COc1cc(CN2CCC(C[NH+](C)C)CC2)cc(OC)c1OC ZINC000350145704 404331947 /nfs/dbraw/zinc/33/19/47/404331947.db2.gz YEHSBQGGTKPYDU-UHFFFAOYSA-N 1 3 322.449 2.486 20 0 DEADHO C[C@H](Cc1ccc(O)cc1)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000352389052 404335268 /nfs/dbraw/zinc/33/52/68/404335268.db2.gz ZGRXZJVFDKWWAI-CRAIPNDOSA-N 1 3 306.450 2.006 20 0 DEADHO CCC(CC)[C@@H](CNC(=O)N[C@H](C)CN(C)C)[NH+]1CCCC1 ZINC000350247461 404352889 /nfs/dbraw/zinc/35/28/89/404352889.db2.gz KRQXSTVFNSHFGH-GDBMZVCRSA-N 1 3 312.502 2.136 20 0 DEADHO CC[NH+]1CCC(CNC(=O)N(CCN(C)C)C2CCCC2)CC1 ZINC000567415248 292312030 /nfs/dbraw/zinc/31/20/30/292312030.db2.gz NXUNIYMGGPIQMI-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)[C@@H](C)O1 ZINC000296608186 404311395 /nfs/dbraw/zinc/31/13/95/404311395.db2.gz YZHBBRAGIDWGPZ-MDZRGWNJSA-N 1 3 317.477 2.090 20 0 DEADHO [NH3+]CC[C@@H]1CCCCN1CCC(=O)Nc1cc(F)cc(F)c1 ZINC000352512087 404427822 /nfs/dbraw/zinc/42/78/22/404427822.db2.gz VSKNEEVPTZXSIV-HNNXBMFYSA-N 1 3 311.376 2.497 20 0 DEADHO CCC[NH+]1CCC(N(C)C(=O)[C@H](C2CC2)N2CCCC2)CC1 ZINC000352439087 404370682 /nfs/dbraw/zinc/37/06/82/404370682.db2.gz JIRHFIKLZTWQSU-KRWDZBQOSA-N 1 3 307.482 2.194 20 0 DEADHO c1ccc(N2CC[C@H]([NH2+]C3CCN(c4ccncc4)CC3)C2)nc1 ZINC000291475140 404394410 /nfs/dbraw/zinc/39/44/10/404394410.db2.gz PTKDJXANHQJOGV-KRWDZBQOSA-N 1 3 323.444 2.314 20 0 DEADHO C[C@H](CNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)N(C)C1CC1 ZINC000356223290 404406261 /nfs/dbraw/zinc/40/62/61/404406261.db2.gz KNUAFDXSHOVLOU-ZNMIVQPWSA-N 1 3 310.486 2.031 20 0 DEADHO C[C@H](CNC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C)N(C)C1CC1 ZINC000356223290 404406266 /nfs/dbraw/zinc/40/62/66/404406266.db2.gz KNUAFDXSHOVLOU-ZNMIVQPWSA-N 1 3 310.486 2.031 20 0 DEADHO CC(C)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000414345601 404585572 /nfs/dbraw/zinc/58/55/72/404585572.db2.gz OYHQLUUFEGOBOY-LSDHHAIUSA-N 1 3 321.465 2.191 20 0 DEADHO C[C@@H](CNC(=O)C1CC[NH+](C2CC2)CC1)N1CCCC[C@@H]1C ZINC000338771003 404536228 /nfs/dbraw/zinc/53/62/28/404536228.db2.gz MAHSWRLPGMJSEN-GJZGRUSLSA-N 1 3 307.482 2.240 20 0 DEADHO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000414180452 404537524 /nfs/dbraw/zinc/53/75/24/404537524.db2.gz BCHLDHDOOGTRBK-KURKYZTESA-N 1 3 323.525 2.197 20 0 DEADHO C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000342409282 404559647 /nfs/dbraw/zinc/55/96/47/404559647.db2.gz AQFQRZKDNKOYLE-NXHRZFHOSA-N 1 3 319.493 2.479 20 0 DEADHO C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000342409282 404559655 /nfs/dbraw/zinc/55/96/55/404559655.db2.gz AQFQRZKDNKOYLE-NXHRZFHOSA-N 1 3 319.493 2.479 20 0 DEADHO NC(=O)[C@H](Cc1ccccc1)NCCCCC[NH+]1CCCCC1 ZINC000351386572 404571015 /nfs/dbraw/zinc/57/10/15/404571015.db2.gz NZQCPJKGGVXKOD-SFHVURJKSA-N 1 3 317.477 2.329 20 0 DEADHO C[C@H](CCc1ccccc1)CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352719691 404573657 /nfs/dbraw/zinc/57/36/57/404573657.db2.gz LTLYTPVNJWZAPQ-IEBWSBKVSA-N 1 3 301.478 2.235 20 0 DEADHO CN1CC[C@]2(CC[N@H+](CCc3nc(-c4ccccc4)no3)C2)C1 ZINC000292043777 404642033 /nfs/dbraw/zinc/64/20/33/404642033.db2.gz ATOOOXYNLVKXRP-SFHVURJKSA-N 1 3 312.417 2.307 20 0 DEADHO CN1CC[C@]2(CC[N@@H+](CCc3nc(-c4ccccc4)no3)C2)C1 ZINC000292043777 404642035 /nfs/dbraw/zinc/64/20/35/404642035.db2.gz ATOOOXYNLVKXRP-SFHVURJKSA-N 1 3 312.417 2.307 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H](c2ccc(F)cc2)N2CCOCC2)C1 ZINC000567487752 292317906 /nfs/dbraw/zinc/31/79/06/292317906.db2.gz YXQOBZJMGBENIY-KZNAEPCWSA-N 1 3 321.440 2.059 20 0 DEADHO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC(C[NH+](C)C)CC1 ZINC000356608363 404619587 /nfs/dbraw/zinc/61/95/87/404619587.db2.gz UPKGSKCGHQDJOM-OAHLLOKOSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H]1CN(CC2CC[NH+](C[C@H]3CCCOC3)CC2)C[C@@H](C)O1 ZINC000342619230 404680999 /nfs/dbraw/zinc/68/09/99/404680999.db2.gz SYWVZLHVSKGLSN-JFIYKMOQSA-N 1 3 310.482 2.234 20 0 DEADHO CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000352900668 404686651 /nfs/dbraw/zinc/68/66/51/404686651.db2.gz JUJFULZMKFRARM-MRXNPFEDSA-N 1 3 324.513 2.377 20 0 DEADHO CCc1cc(OC)ccc1CN1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414788749 404736333 /nfs/dbraw/zinc/73/63/33/404736333.db2.gz XGLDDRWMNLJSBA-KRWDZBQOSA-N 1 3 318.461 2.445 20 0 DEADHO CCOc1ccc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414796070 404737558 /nfs/dbraw/zinc/73/75/58/404737558.db2.gz XDTOYCBDCCRSCU-INIZCTEOSA-N 1 3 304.434 2.273 20 0 DEADHO O[C@@H]1C[NH2+]C[C@@H]1CNCCCCc1ccc(Cl)c(Cl)c1 ZINC000414800272 404738462 /nfs/dbraw/zinc/73/84/62/404738462.db2.gz ZERKDFJSMJCCDZ-SWLSCSKDSA-N 1 3 317.260 2.486 20 0 DEADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](C)N1CCCCCC1 ZINC000357796600 404743650 /nfs/dbraw/zinc/74/36/50/404743650.db2.gz POZIDGIYTNURKS-BRWVUGGUSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](C)N1CCCCCC1 ZINC000357796600 404743651 /nfs/dbraw/zinc/74/36/51/404743651.db2.gz POZIDGIYTNURKS-BRWVUGGUSA-N 1 3 309.498 2.488 20 0 DEADHO COc1cccc(NC(=O)C[C@H](C)N[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000414850093 404748791 /nfs/dbraw/zinc/74/87/91/404748791.db2.gz HPGLWYAWBQRONU-KKUMJFAQSA-N 1 3 319.449 2.390 20 0 DEADHO CNCCC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000414856431 404749234 /nfs/dbraw/zinc/74/92/34/404749234.db2.gz ACQBGXPXNBIBKQ-UHFFFAOYSA-N 1 3 309.841 2.144 20 0 DEADHO C[NH2+]CCCNC1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000414856431 404749237 /nfs/dbraw/zinc/74/92/37/404749237.db2.gz ACQBGXPXNBIBKQ-UHFFFAOYSA-N 1 3 309.841 2.144 20 0 DEADHO COc1ccc(NC(=O)C[C@@H](C)N[C@@H](C[NH3+])CC(C)C)cc1 ZINC000414856693 404749645 /nfs/dbraw/zinc/74/96/45/404749645.db2.gz ZIZHGYCLOOMVHF-UKRRQHHQSA-N 1 3 307.438 2.375 20 0 DEADHO Cc1nc(COc2ccc(C[NH2+]C3(C)CCNCC3)cc2)no1 ZINC000414942875 404771924 /nfs/dbraw/zinc/77/19/24/404771924.db2.gz NDDLWVRYOXJVLJ-UHFFFAOYSA-N 1 3 316.405 2.189 20 0 DEADHO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCC2(C1)CC[NH2+]CC2 ZINC000358507099 404764997 /nfs/dbraw/zinc/76/49/97/404764997.db2.gz NCCZCENQCJFRRV-HZPDHXFCSA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414683061 404708339 /nfs/dbraw/zinc/70/83/39/404708339.db2.gz SIPDFOZSAQTVIY-UONOGXRCSA-N 1 3 307.413 2.016 20 0 DEADHO C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414683061 404708341 /nfs/dbraw/zinc/70/83/41/404708341.db2.gz SIPDFOZSAQTVIY-UONOGXRCSA-N 1 3 307.413 2.016 20 0 DEADHO Cc1ccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(C)c1 ZINC000414988657 404781620 /nfs/dbraw/zinc/78/16/20/404781620.db2.gz PQBBKZPJILNEOJ-OAHLLOKOSA-N 1 3 315.383 2.229 20 0 DEADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000366425785 404790063 /nfs/dbraw/zinc/79/00/63/404790063.db2.gz XMWSFRKCPQKCMK-ARFHVFGLSA-N 1 3 323.481 2.412 20 0 DEADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000366425785 404790065 /nfs/dbraw/zinc/79/00/65/404790065.db2.gz XMWSFRKCPQKCMK-ARFHVFGLSA-N 1 3 323.481 2.412 20 0 DEADHO c1cnn(CCN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000377338594 404836956 /nfs/dbraw/zinc/83/69/56/404836956.db2.gz ZILWHRMQBIKWGJ-RBUKOAKNSA-N 1 3 310.445 2.337 20 0 DEADHO c1cnn(CCN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000377338594 404836958 /nfs/dbraw/zinc/83/69/58/404836958.db2.gz ZILWHRMQBIKWGJ-RBUKOAKNSA-N 1 3 310.445 2.337 20 0 DEADHO C[C@@H]1C[C@@H](CN[C@H]2CCN(c3ccccc3Cl)C2=O)CC[NH2+]1 ZINC000415076534 404802398 /nfs/dbraw/zinc/80/23/98/404802398.db2.gz CVQJHJUNDFYAFC-IPYPFGDCSA-N 1 3 321.852 2.423 20 0 DEADHO C[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)N1CCCC[C@H]1C ZINC000360772679 404837532 /nfs/dbraw/zinc/83/75/32/404837532.db2.gz NMKUEIGLKSSZAU-BRWVUGGUSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)N1CCCC[C@H]1C ZINC000360772679 404837535 /nfs/dbraw/zinc/83/75/35/404837535.db2.gz NMKUEIGLKSSZAU-BRWVUGGUSA-N 1 3 324.513 2.233 20 0 DEADHO COC(=O)c1cccc2c1CCN(C[C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC000415099350 404807684 /nfs/dbraw/zinc/80/76/84/404807684.db2.gz XYGSHFDCWDUIOK-UONOGXRCSA-N 1 3 302.418 2.219 20 0 DEADHO CCN1CCN(c2ccc(N[C@H]3CCC[NH2+]C3)c(C)c2)CC1 ZINC000415111540 404810133 /nfs/dbraw/zinc/81/01/33/404810133.db2.gz CHZWVGAVDYTTHD-INIZCTEOSA-N 1 3 302.466 2.301 20 0 DEADHO CCN1CCN(c2ccc(NC3CC[NH2+]CC3)c(C)c2)CC1 ZINC000415118822 404811336 /nfs/dbraw/zinc/81/13/36/404811336.db2.gz JXQQQSJIEPHPSU-UHFFFAOYSA-N 1 3 302.466 2.301 20 0 DEADHO CC[C@](CNC[C@@]1(C)CC[NH2+]C1)(C(=O)OC)c1ccccc1 ZINC000415132087 404814834 /nfs/dbraw/zinc/81/48/34/404814834.db2.gz ACRZZSXPLLRKJY-ZWKOTPCHSA-N 1 3 304.434 2.097 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)N1CCCCC1 ZINC000360083961 404817734 /nfs/dbraw/zinc/81/77/34/404817734.db2.gz HREGAJQDKIFUJG-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[C@@H](C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)N1CCCCC1 ZINC000360083961 404817737 /nfs/dbraw/zinc/81/77/37/404817737.db2.gz HREGAJQDKIFUJG-IRXDYDNUSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000353468542 404839222 /nfs/dbraw/zinc/83/92/22/404839222.db2.gz OPRVSXHCQGWSTH-UBDQQSCGSA-N 1 3 315.461 2.326 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000353455882 404834915 /nfs/dbraw/zinc/83/49/15/404834915.db2.gz YQVCTUOJAKAQEI-SJORKVTESA-N 1 3 307.482 2.099 20 0 DEADHO CCn1nc(C)c(CNCC2(SC)CC[NH+](C)CC2)c1C ZINC000353217566 404773308 /nfs/dbraw/zinc/77/33/08/404773308.db2.gz IDJXSEAHHYFMOP-UHFFFAOYSA-N 1 3 310.511 2.437 20 0 DEADHO CCn1nc(C)c(C[NH2+]CC2(SC)CCN(C)CC2)c1C ZINC000353217566 404773311 /nfs/dbraw/zinc/77/33/11/404773311.db2.gz IDJXSEAHHYFMOP-UHFFFAOYSA-N 1 3 310.511 2.437 20 0 DEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000423829825 404877604 /nfs/dbraw/zinc/87/76/04/404877604.db2.gz AABUXZJTIHGWPR-UAGQMJEPSA-N 1 3 303.450 2.011 20 0 DEADHO CCCC[C@@H](C[NH3+])NC(=O)Nc1ccccc1CCN(C)C ZINC000415585378 404889432 /nfs/dbraw/zinc/88/94/32/404889432.db2.gz XIVWEAYBWDBZJM-HNNXBMFYSA-N 1 3 306.454 2.430 20 0 DEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000353476007 404840668 /nfs/dbraw/zinc/84/06/68/404840668.db2.gz YSHIEZYERUBDRU-HHXXYDBFSA-N 1 3 315.461 2.328 20 0 DEADHO CN(C)c1ccccc1CN1CCC(OCC[NH+](C)C)CC1 ZINC000353535052 404859412 /nfs/dbraw/zinc/85/94/12/404859412.db2.gz VESAYONFYGVPSR-UHFFFAOYSA-N 1 3 305.466 2.295 20 0 DEADHO C[C@@H](C(=O)Nc1cnc2c(c1)CNCC2)[C@H]([NH3+])c1ccccc1 ZINC000378404256 404954969 /nfs/dbraw/zinc/95/49/69/404954969.db2.gz OVEQJTAIZUKXJX-PXAZEXFGSA-N 1 3 310.401 2.002 20 0 DEADHO O=C(Nc1ccc2c(c1)CNCC2)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000415879953 404960427 /nfs/dbraw/zinc/96/04/27/404960427.db2.gz DBXGWUNSFOFSEX-SJORKVTESA-N 1 3 314.433 2.081 20 0 DEADHO O=C(Nc1ccc2c(c1)CNCC2)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000415879953 404960431 /nfs/dbraw/zinc/96/04/31/404960431.db2.gz DBXGWUNSFOFSEX-SJORKVTESA-N 1 3 314.433 2.081 20 0 DEADHO CNCc1cccc(NC(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000415921374 404972170 /nfs/dbraw/zinc/97/21/70/404972170.db2.gz RDTHMLDVXGXESL-AWEZNQCLSA-N 1 3 304.438 2.259 20 0 DEADHO C[C@@H](CCC[NH3+])NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000416797323 404915073 /nfs/dbraw/zinc/91/50/73/404915073.db2.gz YFBILHYAYAYSHB-HNNXBMFYSA-N 1 3 318.465 2.078 20 0 DEADHO CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CCN(C)[C@H](C)C2)c1 ZINC000415911899 404970033 /nfs/dbraw/zinc/97/00/33/404970033.db2.gz ZFBCTOAZVPSXSJ-CJNGLKHVSA-N 1 3 304.438 2.400 20 0 DEADHO CC[C@H](N)C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423903671 404921249 /nfs/dbraw/zinc/92/12/49/404921249.db2.gz NKTKGMDQEJPUOA-PVAVHDDUSA-N 1 3 303.450 2.141 20 0 DEADHO CC[C@H](N)C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423903671 404921255 /nfs/dbraw/zinc/92/12/55/404921255.db2.gz NKTKGMDQEJPUOA-PVAVHDDUSA-N 1 3 303.450 2.141 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]([NH3+])C(C)C)c1ccccc1 ZINC000416839462 404930560 /nfs/dbraw/zinc/93/05/60/404930560.db2.gz KAXGQGDMIZRDGK-IRXDYDNUSA-N 1 3 320.481 2.352 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)NC[C@H]([NH3+])C(C)C)N(C)C)cc1 ZINC000416839880 404930627 /nfs/dbraw/zinc/93/06/27/404930627.db2.gz KMGRXXVTCFVNGX-DLBZAZTESA-N 1 3 320.481 2.134 20 0 DEADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H]([NH2+]C)C1)c1ccccc1 ZINC000416842376 404932132 /nfs/dbraw/zinc/93/21/32/404932132.db2.gz MWPCVWKWHABVOI-IRXDYDNUSA-N 1 3 318.465 2.073 20 0 DEADHO CCCC[C@H](C[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000416845974 404933376 /nfs/dbraw/zinc/93/33/76/404933376.db2.gz STZYEAHSDZBESH-IAGOWNOFSA-N 1 3 318.465 2.078 20 0 DEADHO C[NH2+]C[C@H](C)CNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000416848809 404933990 /nfs/dbraw/zinc/93/39/90/404933990.db2.gz WXPHQEODYIKISF-UONOGXRCSA-N 1 3 324.494 2.040 20 0 DEADHO C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000416848808 404934522 /nfs/dbraw/zinc/93/45/22/404934522.db2.gz WXPHQEODYIKISF-KGLIPLIRSA-N 1 3 324.494 2.040 20 0 DEADHO CC[NH2+]CC1CCN(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)CC1 ZINC000417016637 405003308 /nfs/dbraw/zinc/00/33/08/405003308.db2.gz OFNSZTOPLCRKIX-HOTGVXAUSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H]1CN(C(=O)NCCC[N@H+](C)C2CCCCC2)[C@H](C)CN1 ZINC000417023221 405005369 /nfs/dbraw/zinc/00/53/69/405005369.db2.gz LQOAYYZLOOGKRT-HUUCEWRRSA-N 1 3 310.486 2.033 20 0 DEADHO C[C@@H]1CN(C(=O)NCCC[N@@H+](C)C2CCCCC2)[C@H](C)CN1 ZINC000417023221 405005375 /nfs/dbraw/zinc/00/53/75/405005375.db2.gz LQOAYYZLOOGKRT-HUUCEWRRSA-N 1 3 310.486 2.033 20 0 DEADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000367308298 405005928 /nfs/dbraw/zinc/00/59/28/405005928.db2.gz CIMGDRZUVKJBOL-JKSUJKDBSA-N 1 3 316.449 2.216 20 0 DEADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000367308298 405005932 /nfs/dbraw/zinc/00/59/32/405005932.db2.gz CIMGDRZUVKJBOL-JKSUJKDBSA-N 1 3 316.449 2.216 20 0 DEADHO C[C@H](CNC(=O)NC[C@@H](N)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000417023253 405007454 /nfs/dbraw/zinc/00/74/54/405007454.db2.gz VVPXCRHLYIXXDN-BFYDXBDKSA-N 1 3 318.465 2.106 20 0 DEADHO C[C@H](CNC(=O)NC[C@@H](N)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000417023253 405007458 /nfs/dbraw/zinc/00/74/58/405007458.db2.gz VVPXCRHLYIXXDN-BFYDXBDKSA-N 1 3 318.465 2.106 20 0 DEADHO CN(C(=O)C1CCN(C2CC2)CC1)C(C)(C)C[NH+]1CCCC1 ZINC000416111869 405026408 /nfs/dbraw/zinc/02/64/08/405026408.db2.gz WCEBNGPDLHQDKL-UHFFFAOYSA-N 1 3 307.482 2.194 20 0 DEADHO C[NH2+]Cc1cccc(NC(=O)N[C@H](C)C2=CCN(C)CC2)c1 ZINC000415932083 404975141 /nfs/dbraw/zinc/97/51/41/404975141.db2.gz NTPDSGUMRKDZHW-CYBMUJFWSA-N 1 3 302.422 2.178 20 0 DEADHO CCC[N@H+](CC)CCNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415968290 404987551 /nfs/dbraw/zinc/98/75/51/404987551.db2.gz FDKNBYLCBKPRJX-UHFFFAOYSA-N 1 3 320.437 2.022 20 0 DEADHO CCC[N@@H+](CC)CCNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415968290 404987555 /nfs/dbraw/zinc/98/75/55/404987555.db2.gz FDKNBYLCBKPRJX-UHFFFAOYSA-N 1 3 320.437 2.022 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]([NH3+])C1)c1ccsc1 ZINC000417000003 404993903 /nfs/dbraw/zinc/99/39/03/404993903.db2.gz CSFBELABPIINHQ-HUUCEWRRSA-N 1 3 324.494 2.264 20 0 DEADHO O=C(Nc1ccc2c(c1)CNC2)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000415986038 404996607 /nfs/dbraw/zinc/99/66/07/404996607.db2.gz ANANDIXBUVAJQU-KRWDZBQOSA-N 1 3 314.433 2.382 20 0 DEADHO C[C@@H](CNC(=O)NCC1([NH3+])CCCCC1)N1CCC[C@H](C)C1 ZINC000417009332 404999265 /nfs/dbraw/zinc/99/92/65/404999265.db2.gz KGOZIDKQXQFGDU-GJZGRUSLSA-N 1 3 310.486 2.068 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H](C)C[NH3+])c1ccsc1 ZINC000417010197 405000606 /nfs/dbraw/zinc/00/06/06/405000606.db2.gz OVBWXVYDGNRSTK-TZMCWYRMSA-N 1 3 312.483 2.120 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000389934947 405040916 /nfs/dbraw/zinc/04/09/16/405040916.db2.gz MPPQYXSXOZVXCB-BPQIPLTHSA-N 1 3 315.461 2.155 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000389928267 405042030 /nfs/dbraw/zinc/04/20/30/405042030.db2.gz YDAMDJSULFQBHE-BEFAXECRSA-N 1 3 323.440 2.396 20 0 DEADHO CN(C)CCN1CCC([NH2+]Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000436269999 405065171 /nfs/dbraw/zinc/06/51/71/405065171.db2.gz MSDKIKVYNCNJGY-UHFFFAOYSA-N 1 3 318.440 2.423 20 0 DEADHO CC1CCN([C@@H](CNC(=O)N(C)CC[NH3+])c2ccccc2)CC1 ZINC000417218480 405065717 /nfs/dbraw/zinc/06/57/17/405065717.db2.gz SZTRNUBYIZEGNH-KRWDZBQOSA-N 1 3 318.465 2.060 20 0 DEADHO COC1(CN2CCN(CC[NH+]3CCCC3)CC2)CCCCC1 ZINC000361510860 405107323 /nfs/dbraw/zinc/10/73/23/405107323.db2.gz LYQSVGAYUMFHJC-UHFFFAOYSA-N 1 3 309.498 2.049 20 0 DEADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NCC(C)(C)[NH3+] ZINC000418044365 405110699 /nfs/dbraw/zinc/11/06/99/405110699.db2.gz ZQWLJZADYRWJPB-MRXNPFEDSA-N 1 3 320.481 2.180 20 0 DEADHO CC[C@H]([NH3+])CNC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000418171654 405115040 /nfs/dbraw/zinc/11/50/40/405115040.db2.gz OKFRVIBYOUYPQP-HNNXBMFYSA-N 1 3 310.486 2.069 20 0 DEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000361541717 405122181 /nfs/dbraw/zinc/12/21/81/405122181.db2.gz SBTFDJUZXRKOMH-CVEARBPZSA-N 1 3 322.497 2.201 20 0 DEADHO CCc1ccccc1[C@@H](N)CNC(=O)N[C@H](C)CCCC[NH3+] ZINC000418645731 405147998 /nfs/dbraw/zinc/14/79/98/405147998.db2.gz DKNKNAABVSTIKR-CJNGLKHVSA-N 1 3 306.454 2.066 20 0 DEADHO CN(C)CCN(C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)C1CCCC1 ZINC000418729454 405183965 /nfs/dbraw/zinc/18/39/65/405183965.db2.gz RRHFYLQIZURIRQ-HUUCEWRRSA-N 1 3 310.486 2.020 20 0 DEADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]CCC(C)(C)C ZINC000437791648 405220334 /nfs/dbraw/zinc/22/03/34/405220334.db2.gz GGKRSQQFDZESKC-KRWDZBQOSA-N 1 3 319.493 2.301 20 0 DEADHO C[C@@H]1CN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CCN(C2CC2)C1 ZINC000452178316 405202211 /nfs/dbraw/zinc/20/22/11/405202211.db2.gz YYQZXTYMDLEJKB-HOTGVXAUSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@@H]1CN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CCN(C2CC2)C1 ZINC000452178316 405202215 /nfs/dbraw/zinc/20/22/15/405202215.db2.gz YYQZXTYMDLEJKB-HOTGVXAUSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000418698320 405171490 /nfs/dbraw/zinc/17/14/90/405171490.db2.gz HFZNDMXDNUIXMW-HWOWSKLDSA-N 1 3 310.486 2.020 20 0 DEADHO CO[C@@H](C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)C1CC1 ZINC000425395342 405284670 /nfs/dbraw/zinc/28/46/70/405284670.db2.gz NEVWZDRLOCHQIB-DAYGRLMNSA-N 1 3 310.482 2.233 20 0 DEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000420299822 405310515 /nfs/dbraw/zinc/31/05/15/405310515.db2.gz JLVOZXBLOUQMTA-MHORFTMASA-N 1 3 320.502 2.277 20 0 DEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000420299822 405310516 /nfs/dbraw/zinc/31/05/16/405310516.db2.gz JLVOZXBLOUQMTA-MHORFTMASA-N 1 3 320.502 2.277 20 0 DEADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCS[C@H]2CCCC[C@H]21 ZINC000420299822 405310519 /nfs/dbraw/zinc/31/05/19/405310519.db2.gz JLVOZXBLOUQMTA-MHORFTMASA-N 1 3 320.502 2.277 20 0 DEADHO CC(C)N(CC[C@@H]1CC[NH2+]C1)CC(=O)Nc1ccc(F)cc1 ZINC000420316106 405316957 /nfs/dbraw/zinc/31/69/57/405316957.db2.gz MLIDBCAIEQHZKM-AWEZNQCLSA-N 1 3 307.413 2.474 20 0 DEADHO CCN(CCOCC(F)(F)C(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000420320250 405317584 /nfs/dbraw/zinc/31/75/84/405317584.db2.gz YRWYEQHVYIZCMT-LLVKDONJSA-N 1 3 300.340 2.367 20 0 DEADHO COc1cccc([C@@H](C)N2CCN(CC[C@H]3CC[NH2+]C3)CC2)c1 ZINC000420322854 405319613 /nfs/dbraw/zinc/31/96/13/405319613.db2.gz SYSMQGZAXWLQGS-IAGOWNOFSA-N 1 3 317.477 2.373 20 0 DEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000420325098 405320139 /nfs/dbraw/zinc/32/01/39/405320139.db2.gz WGUGXTHWCGOZIA-ACRUOGEOSA-N 1 3 324.468 2.482 20 0 DEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000420325098 405320140 /nfs/dbraw/zinc/32/01/40/405320140.db2.gz WGUGXTHWCGOZIA-ACRUOGEOSA-N 1 3 324.468 2.482 20 0 DEADHO CN(CC[C@H]1CC[NH2+]C1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000420326402 405320269 /nfs/dbraw/zinc/32/02/69/405320269.db2.gz XMTJRLYHSQKHHL-CVEARBPZSA-N 1 3 323.506 2.053 20 0 DEADHO CCc1cccc(OCCN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000420329517 405321485 /nfs/dbraw/zinc/32/14/85/405321485.db2.gz OMCAMEBVLOFUBB-MOPGFXCFSA-N 1 3 318.461 2.456 20 0 DEADHO CC(C)N(C(=O)[C@@H](C)N1CCC([C@@H]2CCC[NH2+]2)CC1)C(C)C ZINC000420331407 405322321 /nfs/dbraw/zinc/32/23/21/405322321.db2.gz BXJYWLHMHXAQDK-WBVHZDCISA-N 1 3 309.498 2.484 20 0 DEADHO C[C@@H]1CC[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)[C@@H](CN)C1 ZINC000420333089 405323172 /nfs/dbraw/zinc/32/31/72/405323172.db2.gz JWTHLEQOBJXGKG-IAQYHMDHSA-N 1 3 311.376 2.353 20 0 DEADHO C[C@@H]1CC[N@@H+](CCC(=O)Nc2cc(F)cc(F)c2)[C@@H](CN)C1 ZINC000420333089 405323174 /nfs/dbraw/zinc/32/31/74/405323174.db2.gz JWTHLEQOBJXGKG-IAQYHMDHSA-N 1 3 311.376 2.353 20 0 DEADHO Cc1ccc(SCCN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1C ZINC000420351193 405328953 /nfs/dbraw/zinc/32/89/53/405328953.db2.gz WEWSYSOJODYTMQ-QGZVFWFLSA-N 1 3 319.518 2.375 20 0 DEADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](CO)[C@@H]2C)CC1 ZINC000425975832 405333552 /nfs/dbraw/zinc/33/35/52/405333552.db2.gz HQLYVYWJKAKFCM-FUHWJXTLSA-N 1 3 317.477 2.031 20 0 DEADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@H](CO)[C@@H]2C)CC1 ZINC000425975832 405333553 /nfs/dbraw/zinc/33/35/53/405333553.db2.gz HQLYVYWJKAKFCM-FUHWJXTLSA-N 1 3 317.477 2.031 20 0 DEADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(CCOc3ccccc3F)CC2)C1 ZINC000420379049 405338298 /nfs/dbraw/zinc/33/82/98/405338298.db2.gz AKRUTVUQSWYJGP-CRAIPNDOSA-N 1 3 322.424 2.423 20 0 DEADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(CCOc2cccc(F)c2)CC1 ZINC000420388603 405341264 /nfs/dbraw/zinc/34/12/64/405341264.db2.gz XDZXXFYDNQOCOD-QZTJIDSGSA-N 1 3 322.424 2.423 20 0 DEADHO CC[NH2+]CC1CCN(Cc2cc(-c3cnn(C)c3C)no2)CC1 ZINC000420281678 405306379 /nfs/dbraw/zinc/30/63/79/405306379.db2.gz AENWOKKEOWHQHT-UHFFFAOYSA-N 1 3 317.437 2.205 20 0 DEADHO CC(C)[NH+](CCCNC(=O)N(C)C[C@@H]1CCCN1C)C(C)C ZINC000420811922 405389151 /nfs/dbraw/zinc/38/91/51/405389151.db2.gz NONLUCGAPDMILL-INIZCTEOSA-N 1 3 312.502 2.231 20 0 DEADHO CN(C[C@@H]1CCCN1C)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000420814904 405389534 /nfs/dbraw/zinc/38/95/34/405389534.db2.gz XLUCJHQDJWTJCE-KRWDZBQOSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000420827343 405392256 /nfs/dbraw/zinc/39/22/56/405392256.db2.gz VIQGFQGNZZRLSI-JKSUJKDBSA-N 1 3 324.513 2.233 20 0 DEADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000420827343 405392259 /nfs/dbraw/zinc/39/22/59/405392259.db2.gz VIQGFQGNZZRLSI-JKSUJKDBSA-N 1 3 324.513 2.233 20 0 DEADHO CN(C)C[C@H](NC(=O)C[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000427301928 405399009 /nfs/dbraw/zinc/39/90/09/405399009.db2.gz ZLOJTCAIUVJOCZ-WBVHZDCISA-N 1 3 303.450 2.185 20 0 DEADHO CCN1CCC([N@@H+]2CCCN(CCOC3CCC3)CC2)CC1 ZINC000420979815 405419361 /nfs/dbraw/zinc/41/93/61/405419361.db2.gz KQYBVAQYPAMZJM-UHFFFAOYSA-N 1 3 309.498 2.048 20 0 DEADHO CCN1CCC([N@H+]2CCCN(CCOC3CCC3)CC2)CC1 ZINC000420979815 405419363 /nfs/dbraw/zinc/41/93/63/405419363.db2.gz KQYBVAQYPAMZJM-UHFFFAOYSA-N 1 3 309.498 2.048 20 0 DEADHO C[C@H]1C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)CN1C1CC1 ZINC000458505947 405499380 /nfs/dbraw/zinc/49/93/80/405499380.db2.gz GCHXIJAMTHMGRV-UONOGXRCSA-N 1 3 310.486 2.031 20 0 DEADHO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC(C[NH3+])CC1 ZINC000430636939 405474939 /nfs/dbraw/zinc/47/49/39/405474939.db2.gz AARZFTNACMEVIY-HNNXBMFYSA-N 1 3 303.450 2.013 20 0 DEADHO C[C@H](C(=O)NCc1ccccc1Cl)N1CCC(C[NH3+])CC1 ZINC000430642867 405475611 /nfs/dbraw/zinc/47/56/11/405475611.db2.gz PNSUYTNPFMWJQS-GFCCVEGCSA-N 1 3 309.841 2.015 20 0 DEADHO Cc1cc(N2CCC(N[C@H](C)C[C@H]3CCC[NH2+]3)CC2)nc(C)n1 ZINC000577601255 405476418 /nfs/dbraw/zinc/47/64/18/405476418.db2.gz NTHHRCDROXAFJQ-CXAGYDPISA-N 1 3 317.481 2.182 20 0 DEADHO C[C@@H](CNC(=O)NC(C)(C)C[NH+]1CCCC1)N1CCC(C)CC1 ZINC000458042669 405481962 /nfs/dbraw/zinc/48/19/62/405481962.db2.gz FWYDQDVJLCRKJF-INIZCTEOSA-N 1 3 324.513 2.280 20 0 DEADHO C[NH+](C)Cc1cccc(CNC[C@H](O)COc2ccccc2)c1 ZINC000577721665 405499172 /nfs/dbraw/zinc/49/91/72/405499172.db2.gz ZDHLFCJXWFOIDI-SFHVURJKSA-N 1 3 314.429 2.278 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H](C)CCCO)CC1 ZINC000449407044 405550059 /nfs/dbraw/zinc/55/00/59/405550059.db2.gz DUOOJYPMMCYYJI-QGZVFWFLSA-N 1 3 319.493 2.327 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000528285972 405551867 /nfs/dbraw/zinc/55/18/67/405551867.db2.gz DJJTWDQUAIYKJT-DLBZAZTESA-N 1 3 322.497 2.129 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000528285972 405551873 /nfs/dbraw/zinc/55/18/73/405551873.db2.gz DJJTWDQUAIYKJT-DLBZAZTESA-N 1 3 322.497 2.129 20 0 DEADHO CN(CCC[N@H+](C)Cc1ccco1)C(=O)[C@@H]1CCCCN1C ZINC000635926958 405611126 /nfs/dbraw/zinc/61/11/26/405611126.db2.gz WEEHASXIYYTRMC-INIZCTEOSA-N 1 3 307.438 2.044 20 0 DEADHO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)[C@@H]1CCCCN1C ZINC000635926958 405611134 /nfs/dbraw/zinc/61/11/34/405611134.db2.gz WEEHASXIYYTRMC-INIZCTEOSA-N 1 3 307.438 2.044 20 0 DEADHO CN(CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)Cc1ccco1 ZINC000635926958 405611141 /nfs/dbraw/zinc/61/11/41/405611141.db2.gz WEEHASXIYYTRMC-INIZCTEOSA-N 1 3 307.438 2.044 20 0 DEADHO CN(CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C)Cc1ccco1 ZINC000635926958 405611148 /nfs/dbraw/zinc/61/11/48/405611148.db2.gz WEEHASXIYYTRMC-INIZCTEOSA-N 1 3 307.438 2.044 20 0 DEADHO CC(C)N1CC[C@@H](N(C)C(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000458835965 405619528 /nfs/dbraw/zinc/61/95/28/405619528.db2.gz AUWZFXWQTPFOOG-QGZVFWFLSA-N 1 3 324.513 2.377 20 0 DEADHO C[C@H](CNC1CC[NH+](CC(C)(C)O)CC1)Oc1cccc(F)c1 ZINC000638693020 405619657 /nfs/dbraw/zinc/61/96/57/405619657.db2.gz OWLDVRNKMVNZLR-CQSZACIVSA-N 1 3 324.440 2.418 20 0 DEADHO C[C@@H](CNC1CC[NH+](CC(C)(C)O)CC1)Oc1cccc(F)c1 ZINC000638693019 405620402 /nfs/dbraw/zinc/62/04/02/405620402.db2.gz OWLDVRNKMVNZLR-AWEZNQCLSA-N 1 3 324.440 2.418 20 0 DEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1[C@H](C)[C@@H]1C1CC1 ZINC000528338129 405568251 /nfs/dbraw/zinc/56/82/51/405568251.db2.gz UOTFHFBHPTVSTO-VDHUWJSZSA-N 1 3 321.509 2.153 20 0 DEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1[C@H](C)[C@@H]1C1CC1 ZINC000528338129 405568256 /nfs/dbraw/zinc/56/82/56/405568256.db2.gz UOTFHFBHPTVSTO-VDHUWJSZSA-N 1 3 321.509 2.153 20 0 DEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CC2CC[NH2+]CC2)C1 ZINC000431061069 405569637 /nfs/dbraw/zinc/56/96/37/405569637.db2.gz IQQNVXPPTXHAPH-MAUKXSAKSA-N 1 3 315.461 2.328 20 0 DEADHO CC(C)[NH2+]CCC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000580071400 405579594 /nfs/dbraw/zinc/57/95/94/405579594.db2.gz VCXXAXPLRUAFTN-UHFFFAOYSA-N 1 3 309.429 2.104 20 0 DEADHO C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000638735580 405639810 /nfs/dbraw/zinc/63/98/10/405639810.db2.gz PLZBSRWFPXGMPT-HOCLYGCPSA-N 1 3 307.482 2.430 20 0 DEADHO CN(C[C@@H]1CCCN1C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000422043253 405657874 /nfs/dbraw/zinc/65/78/74/405657874.db2.gz WMCVKJITDULNCE-IRXDYDNUSA-N 1 3 307.482 2.336 20 0 DEADHO CN(C[C@@H]1CCCN1C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000422043253 405657881 /nfs/dbraw/zinc/65/78/81/405657881.db2.gz WMCVKJITDULNCE-IRXDYDNUSA-N 1 3 307.482 2.336 20 0 DEADHO CC(C)CN1CCO[C@H](CN[C@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000422756423 405679401 /nfs/dbraw/zinc/67/94/01/405679401.db2.gz CKTSWVKHQBLUFF-KZNAEPCWSA-N 1 3 311.514 2.244 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@H]2CCCN2C2CC2)C1 ZINC000494263910 405670768 /nfs/dbraw/zinc/67/07/68/405670768.db2.gz BRCKOCIDHTXLAI-JZXOWHBKSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H]2CCCN2C2CC2)C1 ZINC000494263910 405670776 /nfs/dbraw/zinc/67/07/76/405670776.db2.gz BRCKOCIDHTXLAI-JZXOWHBKSA-N 1 3 321.509 2.488 20 0 DEADHO COCCN(C)CC[C@H](N[C@@H](C)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000422713440 405676925 /nfs/dbraw/zinc/67/69/25/405676925.db2.gz JQVLIBWQTBSQCS-WDSOQIARSA-N 1 3 319.493 2.284 20 0 DEADHO C[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1)[C@@H]1CCCCN1 ZINC000423073326 405699779 /nfs/dbraw/zinc/69/97/79/405699779.db2.gz INUCPKYHWBUOBP-XDKFSHSGSA-N 1 3 306.425 2.412 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000423068793 405699998 /nfs/dbraw/zinc/69/99/98/405699998.db2.gz CRYUDLAKFDMMTI-CXAGYDPISA-N 1 3 317.408 2.242 20 0 DEADHO CC[C@H](O)CCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422927620 405691084 /nfs/dbraw/zinc/69/10/84/405691084.db2.gz ZHCGZNPLUGJLDM-ZVZYQTTQSA-N 1 3 304.434 2.383 20 0 DEADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C1(N)CCCC1 ZINC000638835369 405702213 /nfs/dbraw/zinc/70/22/13/405702213.db2.gz LFFNQJDKDOLALE-WBVHZDCISA-N 1 3 315.461 2.142 20 0 DEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C1(N)CCCC1 ZINC000638835369 405702218 /nfs/dbraw/zinc/70/22/18/405702218.db2.gz LFFNQJDKDOLALE-WBVHZDCISA-N 1 3 315.461 2.142 20 0 DEADHO C[C@H](CC(C)(C)O)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423154111 405705753 /nfs/dbraw/zinc/70/57/53/405705753.db2.gz HEFSJUUSHGQSJD-DDUZABMNSA-N 1 3 304.434 2.381 20 0 DEADHO COc1cc(OC)c(C[C@H](C)N[C@H](C)C[C@@H](C)[NH3+])c(OC)c1 ZINC000423163969 405707635 /nfs/dbraw/zinc/70/76/35/405707635.db2.gz WFSFSFVEYFCJMP-UPJWGTAASA-N 1 3 310.438 2.359 20 0 DEADHO COc1cc(OC)c(C[C@H](C)[NH2+][C@H](C)C[C@@H](C)N)c(OC)c1 ZINC000423163969 405707642 /nfs/dbraw/zinc/70/76/42/405707642.db2.gz WFSFSFVEYFCJMP-UPJWGTAASA-N 1 3 310.438 2.359 20 0 DEADHO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000449720062 405708114 /nfs/dbraw/zinc/70/81/14/405708114.db2.gz IECMPXOXWWHRNC-WMLDXEAASA-N 1 3 301.434 2.140 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000423196496 405719718 /nfs/dbraw/zinc/71/97/18/405719718.db2.gz ZVMYYWNIGDHVEC-WFASDCNBSA-N 1 3 317.408 2.415 20 0 DEADHO C[C@@H](NCC[C@H](C)[NH3+])c1ccc(OCc2nccn2C)cc1 ZINC000423224090 405728500 /nfs/dbraw/zinc/72/85/00/405728500.db2.gz IEZGXEILSYRAEX-UONOGXRCSA-N 1 3 302.422 2.387 20 0 DEADHO [NH3+][C@H](C(=O)NC[C@@H](c1cccs1)N1CCCC1)C1CCC1 ZINC000423303776 405754503 /nfs/dbraw/zinc/75/45/03/405754503.db2.gz JMNDRKQKVXBWEI-ZFWWWQNUSA-N 1 3 307.463 2.129 20 0 DEADHO CN(C)Cc1cccc(CNC(=O)[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000423310655 405757054 /nfs/dbraw/zinc/75/70/54/405757054.db2.gz AONSWFLQMOTOOT-MRXNPFEDSA-N 1 3 303.450 2.143 20 0 DEADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C[C@H]3CC[C@@H](CO)O3)CC2)C1 ZINC000559872601 405757588 /nfs/dbraw/zinc/75/75/88/405757588.db2.gz ZXTZEIDJRCMFGG-DDBAPUKQSA-N 1 3 310.482 2.159 20 0 DEADHO N[C@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)C1CCC1 ZINC000423356220 405775348 /nfs/dbraw/zinc/77/53/48/405775348.db2.gz JPMQRSFVQGDARI-INIZCTEOSA-N 1 3 321.490 2.204 20 0 DEADHO C[C@H](N[C@@H]1CC[NH2+][C@H](C)C1)c1cccc(OCCN(C)C)c1 ZINC000423372742 405782099 /nfs/dbraw/zinc/78/20/99/405782099.db2.gz IRGKJYSILSZGIZ-HLLBOEOZSA-N 1 3 305.466 2.418 20 0 DEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCC[C@H](N)C1 ZINC000423372795 405782456 /nfs/dbraw/zinc/78/24/56/405782456.db2.gz HDWGPGRGRYNBDB-CVYDXHPNSA-N 1 3 302.466 2.152 20 0 DEADHO CC[C@@](C)(C[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)OC ZINC000638977275 405792886 /nfs/dbraw/zinc/79/28/86/405792886.db2.gz QIMILUVEEYKHON-MSOLQXFVSA-N 1 3 306.450 2.158 20 0 DEADHO CC[N@H+](CCNC(=O)C(C)(C)[C@H](N)c1ccccc1)C1CC1 ZINC000423409755 405796612 /nfs/dbraw/zinc/79/66/12/405796612.db2.gz ZESPEGQXALAAIH-MRXNPFEDSA-N 1 3 303.450 2.313 20 0 DEADHO CC[N@@H+](CCNC(=O)C(C)(C)[C@H](N)c1ccccc1)C1CC1 ZINC000423409755 405796615 /nfs/dbraw/zinc/79/66/15/405796615.db2.gz ZESPEGQXALAAIH-MRXNPFEDSA-N 1 3 303.450 2.313 20 0 DEADHO CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2C[C@@H](C)CCN2)CC1 ZINC000423428664 405803139 /nfs/dbraw/zinc/80/31/39/405803139.db2.gz KPDPRBDCJRLIEM-DOTOQJQBSA-N 1 3 309.498 2.249 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CN1C1CC1 ZINC000423436308 405805258 /nfs/dbraw/zinc/80/52/58/405805258.db2.gz SKUYYQASKIYRSV-KMFMINBZSA-N 1 3 315.461 2.454 20 0 DEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423438040 405807595 /nfs/dbraw/zinc/80/75/95/405807595.db2.gz UVYJIMGDAKCKQC-XOKHGSTOSA-N 1 3 315.461 2.312 20 0 DEADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CCC[C@H]([NH3+])C3)C2)cc1 ZINC000639006102 405818463 /nfs/dbraw/zinc/81/84/63/405818463.db2.gz SFOAPUHIAUIRDR-SQNIBIBYSA-N 1 3 315.461 2.203 20 0 DEADHO N[C@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)C1CCC1 ZINC000423351035 405773105 /nfs/dbraw/zinc/77/31/05/405773105.db2.gz HGWVXRMFUILPKI-KRWDZBQOSA-N 1 3 307.482 2.228 20 0 DEADHO N[C@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)C1CCC1 ZINC000423351035 405773109 /nfs/dbraw/zinc/77/31/09/405773109.db2.gz HGWVXRMFUILPKI-KRWDZBQOSA-N 1 3 307.482 2.228 20 0 DEADHO CC(C)OC1CC([NH+]2CCC(C)(CN3CCN(C)CC3)CC2)C1 ZINC000459397300 405886288 /nfs/dbraw/zinc/88/62/88/405886288.db2.gz GZNVBZLYJIMCPH-UHFFFAOYSA-N 1 3 323.525 2.292 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CN1C1CC1 ZINC000531007503 405895255 /nfs/dbraw/zinc/89/52/55/405895255.db2.gz CSFIFQXMIXKBBM-CABCVRRESA-N 1 3 322.497 2.127 20 0 DEADHO C[C@@H]1C[C@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CN1C1CC1 ZINC000531007503 405895258 /nfs/dbraw/zinc/89/52/58/405895258.db2.gz CSFIFQXMIXKBBM-CABCVRRESA-N 1 3 322.497 2.127 20 0 DEADHO CCN1CCN(c2ccccc2C[NH2+]CC2(CCO)CC2)CC1 ZINC000495178555 405831918 /nfs/dbraw/zinc/83/19/18/405831918.db2.gz ROYONUYURDAENS-UHFFFAOYSA-N 1 3 317.477 2.081 20 0 DEADHO [NH3+]C[C@@H]1CCN(C(=O)c2cccc3c2CNC3)c2ccccc21 ZINC000639064550 405856808 /nfs/dbraw/zinc/85/68/08/405856808.db2.gz LKJVZLDTYWASEK-ZDUSSCGKSA-N 1 3 307.397 2.383 20 0 DEADHO C[C@@H](CC(=O)N(CCN(C)C)C1CCCC1)C1CC[NH2+]CC1 ZINC000423713613 405924694 /nfs/dbraw/zinc/92/46/94/405924694.db2.gz QRTHFBJYPSVGAI-HNNXBMFYSA-N 1 3 309.498 2.345 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423718284 405925578 /nfs/dbraw/zinc/92/55/78/405925578.db2.gz LDCHQRYKEFUAPG-CVEARBPZSA-N 1 3 315.461 2.210 20 0 DEADHO [NH3+]C[C@H](C(=O)N1CCN(C2CCCCC2)CC1)c1ccccc1 ZINC000423716502 405926472 /nfs/dbraw/zinc/92/64/72/405926472.db2.gz XESYZGFKXLLSAN-SFHVURJKSA-N 1 3 315.461 2.206 20 0 DEADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[C@H](N)c2ccccc2)C1 ZINC000423790601 405966766 /nfs/dbraw/zinc/96/67/66/405966766.db2.gz XTXBBNOKUAUKQU-YESZJQIVSA-N 1 3 301.434 2.019 20 0 DEADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[C@H](N)c2ccccc2)C1 ZINC000423790601 405966772 /nfs/dbraw/zinc/96/67/72/405966772.db2.gz XTXBBNOKUAUKQU-YESZJQIVSA-N 1 3 301.434 2.019 20 0 DEADHO CC(C)[N@H+](C)CC1CCN(C(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC000531288019 405937429 /nfs/dbraw/zinc/93/74/29/405937429.db2.gz VXDWOAMALMZUJU-IYBDPMFKSA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)[N@@H+](C)CC1CCN(C(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC000531288019 405937434 /nfs/dbraw/zinc/93/74/34/405937434.db2.gz VXDWOAMALMZUJU-IYBDPMFKSA-N 1 3 309.498 2.438 20 0 DEADHO C[C@H]([NH3+])CCC(=O)N(CCCc1ccccc1)CCN(C)C ZINC000423752761 405947100 /nfs/dbraw/zinc/94/71/00/405947100.db2.gz WFRQPELPMYEVNO-INIZCTEOSA-N 1 3 305.466 2.137 20 0 DEADHO O[C@H]1CCN(Cc2cccc(NC3CC[NH+](C4CC4)CC3)c2)C1 ZINC000459556121 405954210 /nfs/dbraw/zinc/95/42/10/405954210.db2.gz JHQHYSDIHWIRNJ-IBGZPJMESA-N 1 3 315.461 2.292 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(Cl)cc1F ZINC000531118588 405910927 /nfs/dbraw/zinc/91/09/27/405910927.db2.gz IWFPPHFNHIVITK-UHFFFAOYSA-N 1 3 315.820 2.045 20 0 DEADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N2CCCC[C@@H]2C)C1 ZINC000457712542 405965991 /nfs/dbraw/zinc/96/59/91/405965991.db2.gz QPSOSXIEUOEJGP-ULQDDVLXSA-N 1 3 324.513 2.373 20 0 DEADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N2CCCC[C@@H]2C)C1 ZINC000457712542 405965997 /nfs/dbraw/zinc/96/59/97/405965997.db2.gz QPSOSXIEUOEJGP-ULQDDVLXSA-N 1 3 324.513 2.373 20 0 DEADHO CC(C)(O)C[NH+]1CCC(NC[C@H]2CCC3(CCCC3)O2)CC1 ZINC000639301489 406031562 /nfs/dbraw/zinc/03/15/62/406031562.db2.gz FCDLILMEOPQKAC-MRXNPFEDSA-N 1 3 310.482 2.303 20 0 DEADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000433913389 405998648 /nfs/dbraw/zinc/99/86/48/405998648.db2.gz CXJLGLMOMBQYFN-RDJZCZTQSA-N 1 3 322.497 2.034 20 0 DEADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000433913389 405998655 /nfs/dbraw/zinc/99/86/55/405998655.db2.gz CXJLGLMOMBQYFN-RDJZCZTQSA-N 1 3 322.497 2.034 20 0 DEADHO CC(C)(O)C[NH+]1CCC(NCc2cccc3[nH]ccc32)CC1 ZINC000639397225 406081770 /nfs/dbraw/zinc/08/17/70/406081770.db2.gz CSYSGZSOCCHIQN-UHFFFAOYSA-N 1 3 301.434 2.493 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@@H](NC[C@H](O)COCc2cccs2)C1 ZINC000515414699 406068256 /nfs/dbraw/zinc/06/82/56/406068256.db2.gz MJCRRSYDPDDYIF-KFWWJZLASA-N 1 3 312.479 2.088 20 0 DEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COCc2cccs2)C1 ZINC000515414699 406068262 /nfs/dbraw/zinc/06/82/62/406068262.db2.gz MJCRRSYDPDDYIF-KFWWJZLASA-N 1 3 312.479 2.088 20 0 DEADHO CC(C)c1ccc([C@@H](N)CNC(=O)NC[C@H]2CCCC[NH2+]2)cc1 ZINC000634269044 406075171 /nfs/dbraw/zinc/07/51/71/406075171.db2.gz DNNKUHDKJQSHEY-SJORKVTESA-N 1 3 318.465 2.251 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000518810774 406161742 /nfs/dbraw/zinc/16/17/42/406161742.db2.gz YQXREGDVRLWDDF-RDJZCZTQSA-N 1 3 319.493 2.194 20 0 DEADHO CC1(C)CCN(CC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000518810774 406161747 /nfs/dbraw/zinc/16/17/47/406161747.db2.gz YQXREGDVRLWDDF-RDJZCZTQSA-N 1 3 319.493 2.194 20 0 DEADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2N[C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000519139086 406181338 /nfs/dbraw/zinc/18/13/38/406181338.db2.gz UTJCCADMNCBVGB-PLGZGITFSA-N 1 3 315.396 2.139 20 0 DEADHO CC(C)[NH+]1CCC(C(=O)Nc2cccc3c2CCNC3)CC1 ZINC000519152282 406182862 /nfs/dbraw/zinc/18/28/62/406182862.db2.gz LROPCPNKDYZNOQ-UHFFFAOYSA-N 1 3 301.434 2.391 20 0 DEADHO CCOc1c(Cl)cccc1CNCC1(O)CC[NH+](C)CC1 ZINC000487296888 406220825 /nfs/dbraw/zinc/22/08/25/406220825.db2.gz PFGPLKMCWMPGJN-UHFFFAOYSA-N 1 3 312.841 2.285 20 0 DEADHO FC(F)(F)c1ccn(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000634686665 406225461 /nfs/dbraw/zinc/22/54/61/406225461.db2.gz PJAVXTKPJFSSDQ-VXGBXAGGSA-N 1 3 302.344 2.118 20 0 DEADHO FC(F)(F)c1ccn(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000634686665 406225464 /nfs/dbraw/zinc/22/54/64/406225464.db2.gz PJAVXTKPJFSSDQ-VXGBXAGGSA-N 1 3 302.344 2.118 20 0 DEADHO FC(F)(F)c1ccn(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000634686664 406225642 /nfs/dbraw/zinc/22/56/42/406225642.db2.gz PJAVXTKPJFSSDQ-RYUDHWBXSA-N 1 3 302.344 2.118 20 0 DEADHO FC(F)(F)c1ccn(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000634686664 406225645 /nfs/dbraw/zinc/22/56/45/406225645.db2.gz PJAVXTKPJFSSDQ-RYUDHWBXSA-N 1 3 302.344 2.118 20 0 DEADHO Cc1cccc(CNC(=O)CN2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639758651 406238357 /nfs/dbraw/zinc/23/83/57/406238357.db2.gz WZWGTEQPGYNHAT-UHFFFAOYSA-N 1 3 315.461 2.029 20 0 DEADHO C[NH+]1CCC2(CCN(CC(=O)NC3CCCCCC3)C2)CC1 ZINC000639761638 406239719 /nfs/dbraw/zinc/23/97/19/406239719.db2.gz GXDREPKRGIMQHH-UHFFFAOYSA-N 1 3 307.482 2.243 20 0 DEADHO COc1ccc([C@H](C)CN2CCC[C@](O)(C[NH+](C)C)C2)cc1 ZINC000639762051 406239874 /nfs/dbraw/zinc/23/98/74/406239874.db2.gz JMUWKSHAQUGJIS-QAPCUYQASA-N 1 3 306.450 2.187 20 0 DEADHO C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000637370100 406282814 /nfs/dbraw/zinc/28/28/14/406282814.db2.gz LWMFIEVDZUSXSI-DLBZAZTESA-N 1 3 322.497 2.129 20 0 DEADHO N[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)c2ccccc21 ZINC000569919043 406319667 /nfs/dbraw/zinc/31/96/67/406319667.db2.gz DURZFNWZQHVSPN-AKHDSKFASA-N 1 3 315.461 2.364 20 0 DEADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000546016245 406344558 /nfs/dbraw/zinc/34/45/58/406344558.db2.gz CZKMAISTGWRZKZ-NVXWUHKLSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000546016245 406344561 /nfs/dbraw/zinc/34/45/61/406344561.db2.gz CZKMAISTGWRZKZ-NVXWUHKLSA-N 1 3 309.498 2.440 20 0 DEADHO CCC1([NH+](C)C)CCN(CCCN2CCN(C(C)C)CC2)CC1 ZINC000640014916 406356751 /nfs/dbraw/zinc/35/67/51/406356751.db2.gz ACQLSILHOZDQBW-UHFFFAOYSA-N 1 3 324.557 2.209 20 0 DEADHO OCCNC1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC000635001833 406394551 /nfs/dbraw/zinc/39/45/51/406394551.db2.gz DOWHPTFWJHIYSE-UHFFFAOYSA-N 1 3 306.450 2.282 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)N1CCCC[C@H]1C ZINC000489789097 406430842 /nfs/dbraw/zinc/43/08/42/406430842.db2.gz IXUURHIGWJYCPP-VQHPVUNQSA-N 1 3 324.513 2.421 20 0 DEADHO CC[C@]1(O)CCCN(C/C=C/C[N@@H+]2CCC[C@@](O)(CC)C2)C1 ZINC000640036586 406368281 /nfs/dbraw/zinc/36/82/81/406368281.db2.gz UHJMUYUEKWHDFL-ZBKUBXTQSA-N 1 3 310.482 2.016 20 0 DEADHO CC[C@]1(O)CCCN(C/C=C/C[N@H+]2CCC[C@@](O)(CC)C2)C1 ZINC000640036586 406368286 /nfs/dbraw/zinc/36/82/86/406368286.db2.gz UHJMUYUEKWHDFL-ZBKUBXTQSA-N 1 3 310.482 2.016 20 0 DEADHO C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000570278873 406371876 /nfs/dbraw/zinc/37/18/76/406371876.db2.gz RIQIPNJOWKLZHX-WMZOPIPTSA-N 1 3 315.461 2.254 20 0 DEADHO C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000570278873 406371881 /nfs/dbraw/zinc/37/18/81/406371881.db2.gz RIQIPNJOWKLZHX-WMZOPIPTSA-N 1 3 315.461 2.254 20 0 DEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000525301406 406483555 /nfs/dbraw/zinc/48/35/55/406483555.db2.gz JCAHOVUUVCCGGV-IRXDYDNUSA-N 1 3 324.513 2.090 20 0 DEADHO C[NH+](C)CC1(C(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000635215375 406461758 /nfs/dbraw/zinc/46/17/58/406461758.db2.gz ADYZCNHDLGRMCE-QGZVFWFLSA-N 1 3 315.461 2.282 20 0 DEADHO CC[NH2+][C@@H](C)C(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC000638088231 406564220 /nfs/dbraw/zinc/56/42/20/406564220.db2.gz DQCWWEWUZGYVKM-AWEZNQCLSA-N 1 3 321.490 2.480 20 0 DEADHO COC[C@@H](O)CNCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000571790305 406567646 /nfs/dbraw/zinc/56/76/46/406567646.db2.gz IMQLOXKEHGOEJL-QAPCUYQASA-N 1 3 306.450 2.158 20 0 DEADHO COC[C@@H](O)CNCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000571790305 406567652 /nfs/dbraw/zinc/56/76/52/406567652.db2.gz IMQLOXKEHGOEJL-QAPCUYQASA-N 1 3 306.450 2.158 20 0 DEADHO c1csc([C@@H](NCC2CC[NH+](C3CC3)CC2)c2nnc[nH]2)c1 ZINC000571389727 406513411 /nfs/dbraw/zinc/51/34/11/406513411.db2.gz YOAQOZGOWYAMDO-OAHLLOKOSA-N 1 3 317.462 2.420 20 0 DEADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000635618933 406628706 /nfs/dbraw/zinc/62/87/06/406628706.db2.gz FVYWRLNHEQZXFO-MSOLQXFVSA-N 1 3 315.461 2.061 20 0 DEADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000635618933 406628714 /nfs/dbraw/zinc/62/87/14/406628714.db2.gz FVYWRLNHEQZXFO-MSOLQXFVSA-N 1 3 315.461 2.061 20 0 DEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC000635624760 406631928 /nfs/dbraw/zinc/63/19/28/406631928.db2.gz MLHOCBRYWWLLRN-WBVHZDCISA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC000635624760 406631935 /nfs/dbraw/zinc/63/19/35/406631935.db2.gz MLHOCBRYWWLLRN-WBVHZDCISA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC000635624759 406632268 /nfs/dbraw/zinc/63/22/68/406632268.db2.gz MLHOCBRYWWLLRN-RDJZCZTQSA-N 1 3 307.482 2.194 20 0 DEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC000635624759 406632274 /nfs/dbraw/zinc/63/22/74/406632274.db2.gz MLHOCBRYWWLLRN-RDJZCZTQSA-N 1 3 307.482 2.194 20 0 DEADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)CNC1CC1 ZINC000569219262 292398461 /nfs/dbraw/zinc/39/84/61/292398461.db2.gz MWUAOEUDYABRJQ-UHFFFAOYSA-N 1 3 309.479 2.171 20 0 DEADHO CN(C)[C@H](CNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1 ZINC000635527483 406575362 /nfs/dbraw/zinc/57/53/62/406575362.db2.gz SNRLZJYJSLGCDT-DJIMGWMZSA-N 1 3 318.465 2.106 20 0 DEADHO CN1CCC(N(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000571986465 406590604 /nfs/dbraw/zinc/59/06/04/406590604.db2.gz HCYDESWQCMUMMO-QGZVFWFLSA-N 1 3 315.461 2.061 20 0 DEADHO CN1CCC(N(Cc2ccccc2)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000571986465 406590607 /nfs/dbraw/zinc/59/06/07/406590607.db2.gz HCYDESWQCMUMMO-QGZVFWFLSA-N 1 3 315.461 2.061 20 0 DEADHO CN(CC(=O)N(CC[NH+](C)C)Cc1ccco1)CC(C)(C)C ZINC000635668324 406664591 /nfs/dbraw/zinc/66/45/91/406664591.db2.gz MRXFIOWQANOTTA-UHFFFAOYSA-N 1 3 309.454 2.148 20 0 DEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1ccc2c(c1)OCO2 ZINC000572474058 406674466 /nfs/dbraw/zinc/67/44/66/406674466.db2.gz JMONDPXTIDBTFX-LBPRGKRZSA-N 1 3 313.401 2.471 20 0 DEADHO COC[C@H](O)CNCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000572274985 406637622 /nfs/dbraw/zinc/63/76/22/406637622.db2.gz VCXTZBFKQYEPIA-MAUKXSAKSA-N 1 3 306.450 2.015 20 0 DEADHO COC[C@H](O)CNCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000572274985 406637625 /nfs/dbraw/zinc/63/76/25/406637625.db2.gz VCXTZBFKQYEPIA-MAUKXSAKSA-N 1 3 306.450 2.015 20 0 DEADHO O=C(CC[NH2+]C1CC1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000572302678 406641625 /nfs/dbraw/zinc/64/16/25/406641625.db2.gz MHIQQYWEZOGZBW-CQSZACIVSA-N 1 3 321.490 2.218 20 0 DEADHO CC(C)Oc1ccc(C[NH2+]C2CCN(CC(C)(C)O)CC2)cn1 ZINC000638374258 406733626 /nfs/dbraw/zinc/73/36/26/406733626.db2.gz JHRKBJOZSYTOHP-UHFFFAOYSA-N 1 3 321.465 2.194 20 0 DEADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)/C=C\CN(C)C ZINC000491874768 406757985 /nfs/dbraw/zinc/75/79/85/406757985.db2.gz XCHCJZSSJVSFFJ-FPLPWBNLSA-N 1 3 303.450 2.215 20 0 DEADHO C[C@H](C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)N1CCCCCC1 ZINC000646381282 406854040 /nfs/dbraw/zinc/85/40/40/406854040.db2.gz KPPVEHQIAADXOC-SQNIBIBYSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H](C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[C@@H](N)c1ccccc1 ZINC000178809218 286759242 /nfs/dbraw/zinc/75/92/42/286759242.db2.gz QWPNELQOBUMUBE-JFIYKMOQSA-N 1 3 315.461 2.267 20 0 DEADHO CC1CC[NH+](CCCNCCC(=O)Nc2cccnc2)CC1 ZINC000555363693 406842407 /nfs/dbraw/zinc/84/24/07/406842407.db2.gz ZDTSDBYVEKHJLH-UHFFFAOYSA-N 1 3 304.438 2.122 20 0 DEADHO CC1CCN(CCC[NH2+]CCC(=O)Nc2cccnc2)CC1 ZINC000555363693 406842409 /nfs/dbraw/zinc/84/24/09/406842409.db2.gz ZDTSDBYVEKHJLH-UHFFFAOYSA-N 1 3 304.438 2.122 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)CO1 ZINC000647209630 406972705 /nfs/dbraw/zinc/97/27/05/406972705.db2.gz SDFRQAWNWQFKNV-GDBMZVCRSA-N 1 3 304.434 2.427 20 0 DEADHO CN1C[C@@H]2CCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)[C@@H]2C1 ZINC000646918454 406925461 /nfs/dbraw/zinc/92/54/61/406925461.db2.gz VVIITQZXHLMHBL-ZWKOTPCHSA-N 1 3 313.445 2.059 20 0 DEADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000643537694 407012350 /nfs/dbraw/zinc/01/23/50/407012350.db2.gz OJOYHFCUIASPMH-DKIMLUQUSA-N 1 3 305.441 2.187 20 0 DEADHO OC1(C(F)(F)F)CCC([NH2+][C@H]2CCNC3(CCC3)C2)CC1 ZINC000643545718 407012739 /nfs/dbraw/zinc/01/27/39/407012739.db2.gz BGYXYFCDRGDNLC-LXVYMNJGSA-N 1 3 306.372 2.487 20 0 DEADHO Fc1ccc(-c2nnc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)[n-]2)cc1 ZINC000647791282 407051309 /nfs/dbraw/zinc/05/13/09/407051309.db2.gz BKLDQBAKPYTFAF-VNHYZAJKSA-N 1 3 315.396 2.089 20 0 DEADHO N[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000643452191 407001610 /nfs/dbraw/zinc/00/16/10/407001610.db2.gz MEMKNLTWGOBPFZ-QZTJIDSGSA-N 1 3 304.434 2.352 20 0 DEADHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000643453291 407002401 /nfs/dbraw/zinc/00/24/01/407002401.db2.gz YVAOXWDIOUUWKP-IIYDPXPESA-N 1 3 309.404 2.379 20 0 DEADHO O=C(C1CCCC1)N1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000643463260 407002795 /nfs/dbraw/zinc/00/27/95/407002795.db2.gz OFVZRHKVUMYHOU-XLAORIBOSA-N 1 3 319.493 2.288 20 0 DEADHO O[C@@H]1CCCC[C@H]1N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643482557 407005397 /nfs/dbraw/zinc/00/53/97/407005397.db2.gz NGISJYBIAHZCEV-HPFXQQBRSA-N 1 3 302.418 2.135 20 0 DEADHO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)C1 ZINC000647975140 407091749 /nfs/dbraw/zinc/09/17/49/407091749.db2.gz MPKMTZWJQKIIGP-XMTFNYHQSA-N 1 3 321.509 2.203 20 0 DEADHO CC[C@@H]1C[C@@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)CCO1 ZINC000648503491 407190430 /nfs/dbraw/zinc/19/04/30/407190430.db2.gz PIQWXPHUNPWTBI-JKSUJKDBSA-N 1 3 307.438 2.069 20 0 DEADHO C[NH+]1CCC(O)(CNCc2cc3cc(Cl)cnc3o2)CC1 ZINC000648458814 407184549 /nfs/dbraw/zinc/18/45/49/407184549.db2.gz ITYVDOWFZXXFEQ-UHFFFAOYSA-N 1 3 309.797 2.028 20 0 DEADHO CCCN(C(=O)NC1CCC(C[NH+](C)C)CC1)[C@H]1CCN(C)C1 ZINC000645381107 407271666 /nfs/dbraw/zinc/27/16/66/407271666.db2.gz DJOIVKMMUZUTCT-JCYILVPMSA-N 1 3 324.513 2.233 20 0 DEADHO Cc1ccccc1CN1CCCN(C(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000645473269 407283355 /nfs/dbraw/zinc/28/33/55/407283355.db2.gz XOSUWKYAPYSATE-QGZVFWFLSA-N 1 3 315.461 2.029 20 0 DEADHO CC[C@@H]1CCCCN1CCNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000417696018 287012084 /nfs/dbraw/zinc/01/20/84/287012084.db2.gz GKDGODFARQMEKO-ARFHVFGLSA-N 1 3 310.486 2.068 20 0 DEADHO C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000294763026 287011337 /nfs/dbraw/zinc/01/13/37/287011337.db2.gz LVARDVGBCKTAGT-RHSMWYFYSA-N 1 3 301.434 2.080 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)N(C)C ZINC000133934716 196347043 /nfs/dbraw/zinc/34/70/43/196347043.db2.gz LVJVDGLCAZETFG-YESZJQIVSA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@H](C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)N(C)C ZINC000133934716 196347045 /nfs/dbraw/zinc/34/70/45/196347045.db2.gz LVJVDGLCAZETFG-YESZJQIVSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+][C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000291144835 222170353 /nfs/dbraw/zinc/17/03/53/222170353.db2.gz GOGHTYYGXXNIFR-IXYNUQLISA-N 1 3 319.424 2.249 20 0 DEADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000417790141 229102391 /nfs/dbraw/zinc/10/23/91/229102391.db2.gz HNPUVRPNMLWWGO-BPUTZDHNSA-N 1 3 303.450 2.298 20 0 DEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NC(C)(C)C[NH3+])CC1 ZINC000417687415 229069410 /nfs/dbraw/zinc/06/94/10/229069410.db2.gz HWCXRGOVVVTORT-CQSZACIVSA-N 1 3 318.465 2.249 20 0 DEADHO C[C@H]([NH3+])CCNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000417692233 229070445 /nfs/dbraw/zinc/07/04/45/229070445.db2.gz OFVIGNXPAIKLDG-GJZGRUSLSA-N 1 3 318.465 2.249 20 0 DEADHO C[C@H](C[NH3+])N(C)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000417694249 229071402 /nfs/dbraw/zinc/07/14/02/229071402.db2.gz RUVIADADJVBLFP-HUUCEWRRSA-N 1 3 318.465 2.201 20 0 DEADHO C[C@H](NC(=O)N1CCNC(C)(C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000418188464 229262087 /nfs/dbraw/zinc/26/20/87/229262087.db2.gz UMKGYVQBTSCVBP-GOEBONIOSA-N 1 3 318.465 2.071 20 0 DEADHO CN(C)CCN(C(=O)N[C@H](C[NH3+])C1CCCCC1)C1CCCC1 ZINC000418354154 229322338 /nfs/dbraw/zinc/32/23/38/229322338.db2.gz DMNNTDDVOQTIGT-QGZVFWFLSA-N 1 3 324.513 2.410 20 0 DEADHO C[C@H](CC[NH3+])NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000418564786 229389277 /nfs/dbraw/zinc/38/92/77/229389277.db2.gz UUXWBBRXVCTGNB-CVEARBPZSA-N 1 3 318.465 2.030 20 0 DEADHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418587426 229395891 /nfs/dbraw/zinc/39/58/91/229395891.db2.gz RAXMOVQJTAOREJ-SJORKVTESA-N 1 3 324.513 2.410 20 0 DEADHO C[C@@H]1CCN[C@@H](C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000423366761 287630102 /nfs/dbraw/zinc/63/01/02/287630102.db2.gz CWBXPMXHQHIARL-FGTMMUONSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@@H]1C[C@H](C)N(CCC(=O)Nc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000422632007 230160053 /nfs/dbraw/zinc/16/00/53/230160053.db2.gz GFIALQFLOLLOEZ-RDBSUJKOSA-N 1 3 307.413 2.460 20 0 DEADHO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccc(F)cc2)C[C@@H]1CN ZINC000422632007 230160058 /nfs/dbraw/zinc/16/00/58/230160058.db2.gz GFIALQFLOLLOEZ-RDBSUJKOSA-N 1 3 307.413 2.460 20 0 DEADHO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccc(F)cc2)C[C@@H]1CN ZINC000422632007 230160062 /nfs/dbraw/zinc/16/00/62/230160062.db2.gz GFIALQFLOLLOEZ-RDBSUJKOSA-N 1 3 307.413 2.460 20 0 DEADHO C[C@@H]1C[C@H](C)N(CCCOc2ccc3c(c2)OCO3)C[C@H]1C[NH3+] ZINC000422639162 230161158 /nfs/dbraw/zinc/16/11/58/230161158.db2.gz SFQAIGZYGXWARW-QLFBSQMISA-N 1 3 320.433 2.489 20 0 DEADHO C[C@@H]1C[C@H](C)[N@H+](CCCOc2ccc3c(c2)OCO3)C[C@H]1CN ZINC000422639162 230161162 /nfs/dbraw/zinc/16/11/62/230161162.db2.gz SFQAIGZYGXWARW-QLFBSQMISA-N 1 3 320.433 2.489 20 0 DEADHO C[C@@H]1C[C@H](C)[N@@H+](CCCOc2ccc3c(c2)OCO3)C[C@H]1CN ZINC000422639162 230161165 /nfs/dbraw/zinc/16/11/65/230161165.db2.gz SFQAIGZYGXWARW-QLFBSQMISA-N 1 3 320.433 2.489 20 0 DEADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000422702109 230170753 /nfs/dbraw/zinc/17/07/53/230170753.db2.gz DFLCWSYLUVWVMT-JKSUJKDBSA-N 1 3 311.539 2.455 20 0 DEADHO Cc1ccc([C@H](C[NH2+][C@H]2CCC[C@H]2CN)N2CCOCC2)cc1 ZINC000422706606 230172449 /nfs/dbraw/zinc/17/24/49/230172449.db2.gz FMZQVDVQMCTCKC-FHWLQOOXSA-N 1 3 317.477 2.085 20 0 DEADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(CN2CCCC2=O)cc1 ZINC000422721656 230177531 /nfs/dbraw/zinc/17/75/31/230177531.db2.gz VYRWFSXJZGYNJN-MAUKXSAKSA-N 1 3 315.461 2.287 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000422747684 230189041 /nfs/dbraw/zinc/18/90/41/230189041.db2.gz ZIIVMVYKYAHKGG-ZNMIVQPWSA-N 1 3 322.472 2.354 20 0 DEADHO C[C@@H](NC1CCN(C(=O)c2ccco2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422820364 230227462 /nfs/dbraw/zinc/22/74/62/230227462.db2.gz QFCCAFDKHBEPJX-UKRRQHHQSA-N 1 3 305.422 2.004 20 0 DEADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000422828101 230229413 /nfs/dbraw/zinc/22/94/13/230229413.db2.gz STXKOVBDLAXCJZ-CFVMTHIKSA-N 1 3 320.433 2.035 20 0 DEADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCC(C)(C)c1ccc2c(c1)OCO2 ZINC000422828101 230229417 /nfs/dbraw/zinc/22/94/17/230229417.db2.gz STXKOVBDLAXCJZ-CFVMTHIKSA-N 1 3 320.433 2.035 20 0 DEADHO O=C(CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)NCc1ccccc1 ZINC000422851233 230242961 /nfs/dbraw/zinc/24/29/61/230242961.db2.gz WQNTVSGHPCTTTC-KSZLIROESA-N 1 3 315.461 2.203 20 0 DEADHO c1ccc2c(c1)OCC[C@@H]2CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422885223 230258735 /nfs/dbraw/zinc/25/87/35/230258735.db2.gz GLOVVMZWRJFCOE-LAVFITLUSA-N 1 3 316.445 2.299 20 0 DEADHO C[C@@H](CCCC[NH3+])NCC(=O)Nc1ccc(F)c(F)c1F ZINC000422930513 230282239 /nfs/dbraw/zinc/28/22/39/230282239.db2.gz USFVTHQDFMGOFK-VIFPVBQESA-N 1 3 303.328 2.150 20 0 DEADHO N[C@H]1CCC[C@@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000422933619 230282762 /nfs/dbraw/zinc/28/27/62/230282762.db2.gz BNQQRIANZBNZHO-OALUTQOASA-N 1 3 316.493 2.058 20 0 DEADHO COc1cc(OC)cc(OCCC[NH2+][C@H]2CCNCC[C@@H]2C)c1 ZINC000422930411 230282792 /nfs/dbraw/zinc/28/27/92/230282792.db2.gz UFYCOXGIBAGHNH-KSSFIOAISA-N 1 3 322.449 2.450 20 0 DEADHO COc1cc(OC)cc(OCCCN[C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422930411 230282796 /nfs/dbraw/zinc/28/27/96/230282796.db2.gz UFYCOXGIBAGHNH-KSSFIOAISA-N 1 3 322.449 2.450 20 0 DEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1cccc(OCC(F)F)c1 ZINC000422947208 230288867 /nfs/dbraw/zinc/28/88/67/230288867.db2.gz QCJSOTUQGFOMLP-CQDKDKBSSA-N 1 3 314.376 2.172 20 0 DEADHO NC[C@H]1CCC[C@H]1[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000422953995 230293661 /nfs/dbraw/zinc/29/36/61/230293661.db2.gz GUUWBEMCPZYJIY-HZPDHXFCSA-N 1 3 301.434 2.073 20 0 DEADHO C[C@@H](N)C[C@@H](C)[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000422958018 230294458 /nfs/dbraw/zinc/29/44/58/230294458.db2.gz WOYRRVLIPVXMKQ-ZIAGYGMSSA-N 1 3 310.486 2.209 20 0 DEADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@H](c1ccco1)N(C)C ZINC000422960947 230295093 /nfs/dbraw/zinc/29/50/93/230295093.db2.gz AFTBBTBZMRPXTM-BHYGNILZSA-N 1 3 301.434 2.430 20 0 DEADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Oc1ccccc1 ZINC000422977789 230303844 /nfs/dbraw/zinc/30/38/44/230303844.db2.gz GEVQCOJHRMLZLU-VDHUWJSZSA-N 1 3 304.434 2.201 20 0 DEADHO C[C@@H](CCCC[NH3+])NCc1ccncc1OC[C@@H]1CCOC1 ZINC000423118900 230356770 /nfs/dbraw/zinc/35/67/70/230356770.db2.gz CODMPBQDAJOQPG-LSDHHAIUSA-N 1 3 307.438 2.104 20 0 DEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC2(CC2(F)F)CC1 ZINC000405116763 424930366 /nfs/dbraw/zinc/93/03/66/424930366.db2.gz SSVWAYITFHLIJL-GJZGRUSLSA-N 1 3 310.388 2.039 20 0 DEADHO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000648691233 424894235 /nfs/dbraw/zinc/89/42/35/424894235.db2.gz UUGSWYXAUVZOBM-SJLPKXTDSA-N 1 3 306.450 2.220 20 0 DEADHO CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000648691233 424894239 /nfs/dbraw/zinc/89/42/39/424894239.db2.gz UUGSWYXAUVZOBM-SJLPKXTDSA-N 1 3 306.450 2.220 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC[N@@H+]1C ZINC000648719858 424897600 /nfs/dbraw/zinc/89/76/00/424897600.db2.gz OUAAIWIRMUMQBZ-KFWWJZLASA-N 1 3 321.490 2.341 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC[N@H+]1C ZINC000648719858 424897601 /nfs/dbraw/zinc/89/76/01/424897601.db2.gz OUAAIWIRMUMQBZ-KFWWJZLASA-N 1 3 321.490 2.341 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)N(C)C)cc1 ZINC000648719857 424897671 /nfs/dbraw/zinc/89/76/71/424897671.db2.gz OTOREMZLGAWGFB-ZTFGCOKTSA-N 1 3 317.477 2.308 20 0 DEADHO CCc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)N(C)C)cc1 ZINC000648719857 424897673 /nfs/dbraw/zinc/89/76/73/424897673.db2.gz OTOREMZLGAWGFB-ZTFGCOKTSA-N 1 3 317.477 2.308 20 0 DEADHO CCN(C(=O)[C@H]1CCC[NH2+]1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000649305994 424990074 /nfs/dbraw/zinc/99/00/74/424990074.db2.gz SMUXJMUGAWUNQW-KBAYOESNSA-N 1 3 315.461 2.422 20 0 DEADHO C[C@H]1C[C@H](N(C)C(=O)[C@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000649330135 424994590 /nfs/dbraw/zinc/99/45/90/424994590.db2.gz ZKLANLBNMRQAMU-CGTJXYLNSA-N 1 3 315.461 2.250 20 0 DEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000649336618 424997084 /nfs/dbraw/zinc/99/70/84/424997084.db2.gz IPQXWYQZYCLDOA-PVAVHDDUSA-N 1 3 315.461 2.011 20 0 DEADHO CCCn1cc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cn1 ZINC000650706146 425038513 /nfs/dbraw/zinc/03/85/13/425038513.db2.gz FDKRIFBVYBBVJN-GVDBMIGSSA-N 1 3 306.454 2.011 20 0 DEADHO CC(C)n1cc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cn1 ZINC000650706938 425039162 /nfs/dbraw/zinc/03/91/62/425039162.db2.gz VTQMXMMIAKRCRI-GVDBMIGSSA-N 1 3 306.454 2.182 20 0 DEADHO C[C@H](CNC(=O)N(C)CCN1CCCCC1)[NH+]1CCC(C)CC1 ZINC000650779826 425054567 /nfs/dbraw/zinc/05/45/67/425054567.db2.gz OEDBSIROXPGCPY-QGZVFWFLSA-N 1 3 324.513 2.234 20 0 DEADHO CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000651192584 425113519 /nfs/dbraw/zinc/11/35/19/425113519.db2.gz SPWGZJZJMSGTIH-QGZVFWFLSA-N 1 3 324.513 2.234 20 0 DEADHO CC(C)C[N@@H+](C)CCCNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000651192584 425113523 /nfs/dbraw/zinc/11/35/23/425113523.db2.gz SPWGZJZJMSGTIH-QGZVFWFLSA-N 1 3 324.513 2.234 20 0 DEADHO COC[C@@H](CC(C)(C)C)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000651709364 425144267 /nfs/dbraw/zinc/14/42/67/425144267.db2.gz UFYFALXQTFKWRZ-HZPDHXFCSA-N 1 3 311.514 2.196 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000663482536 425169166 /nfs/dbraw/zinc/16/91/66/425169166.db2.gz UUKRPCYSTVNOHN-JKSUJKDBSA-N 1 3 310.486 2.034 20 0 DEADHO CCCN1CC[C@@H](NC(=O)NCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000663482536 425169171 /nfs/dbraw/zinc/16/91/71/425169171.db2.gz UUKRPCYSTVNOHN-JKSUJKDBSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000666758474 425176670 /nfs/dbraw/zinc/17/66/70/425176670.db2.gz SFPHMFPGZHDXPW-IXDOHACOSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000666758474 425176673 /nfs/dbraw/zinc/17/66/73/425176673.db2.gz SFPHMFPGZHDXPW-IXDOHACOSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000666760840 425177653 /nfs/dbraw/zinc/17/76/53/425177653.db2.gz OMYJDFIDKJXQJQ-BBWFWOEESA-N 1 3 324.513 2.231 20 0 DEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000666760840 425177656 /nfs/dbraw/zinc/17/76/56/425177656.db2.gz OMYJDFIDKJXQJQ-BBWFWOEESA-N 1 3 324.513 2.231 20 0 DEADHO CC(C)C[C@@H](CN(C)C)NC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652130846 425192146 /nfs/dbraw/zinc/19/21/46/425192146.db2.gz BJXUMCKLYDKPGK-HNNXBMFYSA-N 1 3 324.444 2.060 20 0 DEADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC[C@]3(O)CCOC3)CC2)C1 ZINC000651944318 425152965 /nfs/dbraw/zinc/15/29/65/425152965.db2.gz SEIKWRPMDLLFTM-NJAFHUGGSA-N 1 3 310.482 2.161 20 0 DEADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CC[C@]3(O)CCOC3)CC2)C1 ZINC000651944318 425152966 /nfs/dbraw/zinc/15/29/66/425152966.db2.gz SEIKWRPMDLLFTM-NJAFHUGGSA-N 1 3 310.482 2.161 20 0 DEADHO COC1([C@@H](C)[NH2+]C[C@H]2CCCN(CC3CC3)C2)CCOCC1 ZINC000663465297 425165296 /nfs/dbraw/zinc/16/52/96/425165296.db2.gz JGWAFZYIIYAVML-NVXWUHKLSA-N 1 3 310.482 2.282 20 0 DEADHO COC1([C@@H](C)NC[C@H]2CCC[N@H+](CC3CC3)C2)CCOCC1 ZINC000663465297 425165299 /nfs/dbraw/zinc/16/52/99/425165299.db2.gz JGWAFZYIIYAVML-NVXWUHKLSA-N 1 3 310.482 2.282 20 0 DEADHO COC1([C@@H](C)NC[C@H]2CCC[N@@H+](CC3CC3)C2)CCOCC1 ZINC000663465297 425165303 /nfs/dbraw/zinc/16/53/03/425165303.db2.gz JGWAFZYIIYAVML-NVXWUHKLSA-N 1 3 310.482 2.282 20 0 DEADHO CC1CCC(N2CCN(C(=O)NCCC3(C[NH3+])CC3)CC2)CC1 ZINC000652241702 425222416 /nfs/dbraw/zinc/22/24/16/425222416.db2.gz XBWAQHHXRFCYFW-UHFFFAOYSA-N 1 3 322.497 2.021 20 0 DEADHO OC[C@H]1CCCCCN1C/C=C/C[N@@H+]1CCCCC[C@H]1CO ZINC000653783422 425228094 /nfs/dbraw/zinc/22/80/94/425228094.db2.gz KOIFMRHFUVSFIH-BNPWSIICSA-N 1 3 310.482 2.016 20 0 DEADHO OC[C@H]1CCCCCN1C/C=C/C[N@H+]1CCCCC[C@H]1CO ZINC000653783422 425228098 /nfs/dbraw/zinc/22/80/98/425228098.db2.gz KOIFMRHFUVSFIH-BNPWSIICSA-N 1 3 310.482 2.016 20 0 DEADHO OC[C@H]1CCCCC[N@H+]1C/C=C/CN1CCCCC[C@H]1CO ZINC000653783422 425228101 /nfs/dbraw/zinc/22/81/01/425228101.db2.gz KOIFMRHFUVSFIH-BNPWSIICSA-N 1 3 310.482 2.016 20 0 DEADHO OC[C@H]1CCCCC[N@@H+]1C/C=C/CN1CCCCC[C@H]1CO ZINC000653783422 425228103 /nfs/dbraw/zinc/22/81/03/425228103.db2.gz KOIFMRHFUVSFIH-BNPWSIICSA-N 1 3 310.482 2.016 20 0 DEADHO C[NH2+]Cc1ccccc1CNC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000652291438 425232376 /nfs/dbraw/zinc/23/23/76/425232376.db2.gz TXCGIVPJEKRYKM-KRWDZBQOSA-N 1 3 318.465 2.030 20 0 DEADHO C[C@H](CN1CCCCC1)NC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000660824674 425245986 /nfs/dbraw/zinc/24/59/86/425245986.db2.gz PJCPCEPWPRIMCG-IAGOWNOFSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000660824676 425247747 /nfs/dbraw/zinc/24/77/47/425247747.db2.gz PJCPCEPWPRIMCG-IRXDYDNUSA-N 1 3 324.513 2.280 20 0 DEADHO C[C@H](CNC(=O)N[C@@H](C)CN1CCC(C)CC1)C[NH+]1CCCC1 ZINC000660830809 425249555 /nfs/dbraw/zinc/24/95/55/425249555.db2.gz YXNUYMHGZVFEEM-SJORKVTESA-N 1 3 324.513 2.138 20 0 DEADHO C[C@H](CN1CCC(C)CC1)NC(=O)NCCC1CC[NH+](C)CC1 ZINC000660843415 425254008 /nfs/dbraw/zinc/25/40/08/425254008.db2.gz XHPXQLSWNRJCIJ-MRXNPFEDSA-N 1 3 324.513 2.138 20 0 DEADHO C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)N(C)C1CC1 ZINC000660854815 425258329 /nfs/dbraw/zinc/25/83/29/425258329.db2.gz DUCBLAGETVXJCH-GJZGRUSLSA-N 1 3 322.497 2.175 20 0 DEADHO C[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)N(C)C1CC1 ZINC000660854815 425258334 /nfs/dbraw/zinc/25/83/34/425258334.db2.gz DUCBLAGETVXJCH-GJZGRUSLSA-N 1 3 322.497 2.175 20 0 DEADHO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(C(C)(C)CC)CC2)C1 ZINC000653953123 425259699 /nfs/dbraw/zinc/25/96/99/425259699.db2.gz UGEVTJFNLQCDOZ-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO CCC[N@H+]1CC[C@H](CNC(=O)N2CCN(C(C)(C)CC)CC2)C1 ZINC000653953123 425259702 /nfs/dbraw/zinc/25/97/02/425259702.db2.gz UGEVTJFNLQCDOZ-MRXNPFEDSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1nc2ccccc2n1C ZINC000664197451 425330267 /nfs/dbraw/zinc/33/02/67/425330267.db2.gz XMEFVJDIIJYKCP-AWEZNQCLSA-N 1 3 303.454 2.257 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1nc2ccccc2n1C ZINC000664197451 425330268 /nfs/dbraw/zinc/33/02/68/425330268.db2.gz XMEFVJDIIJYKCP-AWEZNQCLSA-N 1 3 303.454 2.257 20 0 DEADHO CC(C)[NH+]1CCC(NC(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000654351393 425330759 /nfs/dbraw/zinc/33/07/59/425330759.db2.gz ZXKVLLSQVCFKKN-IRXDYDNUSA-N 1 3 322.497 2.175 20 0 DEADHO CC[C@@H]1C[C@@H](NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)CO1 ZINC000657430662 425331428 /nfs/dbraw/zinc/33/14/28/425331428.db2.gz USCRRRZGKQHYJC-CEXWTWQISA-N 1 3 318.461 2.300 20 0 DEADHO CC[C@@H]1C[C@@H](NCc2ccccc2C[N@H+]2CCC[C@H]2CO)CO1 ZINC000657430662 425331432 /nfs/dbraw/zinc/33/14/32/425331432.db2.gz USCRRRZGKQHYJC-CEXWTWQISA-N 1 3 318.461 2.300 20 0 DEADHO C[C@H](CNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12)C[NH+]1CCCC1 ZINC000654388495 425340771 /nfs/dbraw/zinc/34/07/71/425340771.db2.gz NUURIJMVVHDUND-ZACQAIPSSA-N 1 3 322.497 2.034 20 0 DEADHO COc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000664315000 425359409 /nfs/dbraw/zinc/35/94/09/425359409.db2.gz PVJOFVWXZFFCTQ-AWEZNQCLSA-N 1 3 322.453 2.089 20 0 DEADHO COc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000664315000 425359413 /nfs/dbraw/zinc/35/94/13/425359413.db2.gz PVJOFVWXZFFCTQ-AWEZNQCLSA-N 1 3 322.453 2.089 20 0 DEADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)cc1 ZINC000653049103 425388867 /nfs/dbraw/zinc/38/88/67/425388867.db2.gz TZAPEHDCVNGJET-KURKYZTESA-N 1 3 315.461 2.457 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000661370751 425392818 /nfs/dbraw/zinc/39/28/18/425392818.db2.gz TVXJHQRPLLSZAI-OAGGEKHMSA-N 1 3 322.497 2.175 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000661370751 425392823 /nfs/dbraw/zinc/39/28/23/425392823.db2.gz TVXJHQRPLLSZAI-OAGGEKHMSA-N 1 3 322.497 2.175 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000661370752 425393340 /nfs/dbraw/zinc/39/33/40/425393340.db2.gz TVXJHQRPLLSZAI-OWCLPIDISA-N 1 3 322.497 2.175 20 0 DEADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000661370752 425393345 /nfs/dbraw/zinc/39/33/45/425393345.db2.gz TVXJHQRPLLSZAI-OWCLPIDISA-N 1 3 322.497 2.175 20 0 DEADHO CC(C)C(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C(C)C ZINC000664489866 425396590 /nfs/dbraw/zinc/39/65/90/425396590.db2.gz ZZMJIJCYYQNREN-HNNXBMFYSA-N 1 3 314.518 2.238 20 0 DEADHO CC(C)C(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C(C)C ZINC000664489866 425396591 /nfs/dbraw/zinc/39/65/91/425396591.db2.gz ZZMJIJCYYQNREN-HNNXBMFYSA-N 1 3 314.518 2.238 20 0 DEADHO CNC(=O)CC1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000657762552 425398150 /nfs/dbraw/zinc/39/81/50/425398150.db2.gz KUMWFGSWCXKWBH-JKSUJKDBSA-N 1 3 307.482 2.289 20 0 DEADHO CNC(=O)CC1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000657762552 425398154 /nfs/dbraw/zinc/39/81/54/425398154.db2.gz KUMWFGSWCXKWBH-JKSUJKDBSA-N 1 3 307.482 2.289 20 0 DEADHO CNC(=O)CC1(C[NH2+][C@H]2CCN3CCC[C@@H]3C2)CCCCC1 ZINC000657762552 425398157 /nfs/dbraw/zinc/39/81/57/425398157.db2.gz KUMWFGSWCXKWBH-JKSUJKDBSA-N 1 3 307.482 2.289 20 0 DEADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](C)Cn2cncn2)c1 ZINC000657855910 425410527 /nfs/dbraw/zinc/41/05/27/425410527.db2.gz JFHCOMFSSPZFQO-HNNXBMFYSA-N 1 3 301.438 2.297 20 0 DEADHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H](C)Cn2cncn2)c1 ZINC000657855910 425410532 /nfs/dbraw/zinc/41/05/32/425410532.db2.gz JFHCOMFSSPZFQO-HNNXBMFYSA-N 1 3 301.438 2.297 20 0 DEADHO COC1([C@@H](C)[NH2+]CC2(N3CCCCC3)CCN(C)CC2)CCC1 ZINC000657893792 425413595 /nfs/dbraw/zinc/41/35/95/425413595.db2.gz UFLFAPMGMCVLPJ-QGZVFWFLSA-N 1 3 323.525 2.484 20 0 DEADHO NC[C@H](NC(=O)[C@H]1CCC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000653135596 425413993 /nfs/dbraw/zinc/41/39/93/425413993.db2.gz JKDKBYGOPQPYLT-YJBOKZPZSA-N 1 3 311.429 2.346 20 0 DEADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1ccc(-c2cc[nH]n2)o1 ZINC000657573060 425368076 /nfs/dbraw/zinc/36/80/76/425368076.db2.gz IVVLMHDWWLDMPG-AWEZNQCLSA-N 1 3 319.453 2.031 20 0 DEADHO O[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2COC3(CCC3)C2)CC1 ZINC000657929081 425418941 /nfs/dbraw/zinc/41/89/41/425418941.db2.gz QLFKHBXVFAXKMJ-BRWVUGGUSA-N 1 3 308.466 2.056 20 0 DEADHO C[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)[C@@H]1CC[NH3+] ZINC000653240598 425442194 /nfs/dbraw/zinc/44/21/94/425442194.db2.gz PPASTYUYVKDHCX-WMLDXEAASA-N 1 3 303.450 2.338 20 0 DEADHO OC/C=C/CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000658142960 425444508 /nfs/dbraw/zinc/44/45/08/425444508.db2.gz ZWBLHETXRDDBIK-FNMLWVPJSA-N 1 3 300.446 2.425 20 0 DEADHO OC/C=C/CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000658142960 425444512 /nfs/dbraw/zinc/44/45/12/425444512.db2.gz ZWBLHETXRDDBIK-FNMLWVPJSA-N 1 3 300.446 2.425 20 0 DEADHO OC/C=C/C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000658142960 425444517 /nfs/dbraw/zinc/44/45/17/425444517.db2.gz ZWBLHETXRDDBIK-FNMLWVPJSA-N 1 3 300.446 2.425 20 0 DEADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cnn(C)c1 ZINC000658168099 425450537 /nfs/dbraw/zinc/45/05/37/425450537.db2.gz VRUVSHUJBASPGC-OAHLLOKOSA-N 1 3 313.449 2.378 20 0 DEADHO c1cc(CN2CCC(C[NH2+][C@H]3CCCOCC3)CC2)ccn1 ZINC000658164812 425450560 /nfs/dbraw/zinc/45/05/60/425450560.db2.gz FQEWQVGXLGEQTJ-SFHVURJKSA-N 1 3 303.450 2.452 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CCN1C ZINC000658168543 425450976 /nfs/dbraw/zinc/45/09/76/425450976.db2.gz XNTPBBQWFPKYRH-APWZRJJASA-N 1 3 316.493 2.366 20 0 DEADHO CCCN1CC[C@H]([NH2+][C@H]2CCN(CCCOCC)C[C@H]2C)C1 ZINC000658286470 425466612 /nfs/dbraw/zinc/46/66/12/425466612.db2.gz AEHAQNIJFWLVBI-SQNIBIBYSA-N 1 3 311.514 2.197 20 0 DEADHO CC[C@H](C)N[C@@H](CNC(=O)NCC[C@@H](C)[NH+](C)C)c1ccco1 ZINC000664874609 425471081 /nfs/dbraw/zinc/47/10/81/425471081.db2.gz MWJKWGLXTVWASF-ZNMIVQPWSA-N 1 3 324.469 2.348 20 0 DEADHO C[N@H+](C[C@H](O)CN[C@@H]1C[C@@H](OC(C)(C)C)C12CCC2)C1CC1 ZINC000661839828 425511381 /nfs/dbraw/zinc/51/13/81/425511381.db2.gz KPWBABGHWUGUBC-BZUAXINKSA-N 1 3 310.482 2.157 20 0 DEADHO C[N@@H+](C[C@H](O)CN[C@@H]1C[C@@H](OC(C)(C)C)C12CCC2)C1CC1 ZINC000661839828 425511385 /nfs/dbraw/zinc/51/13/85/425511385.db2.gz KPWBABGHWUGUBC-BZUAXINKSA-N 1 3 310.482 2.157 20 0 DEADHO Cc1ccc(NC(=O)N(C)CC(C)(C)[NH3+])c(OCCN(C)C)c1 ZINC000659000092 425518110 /nfs/dbraw/zinc/51/81/10/425518110.db2.gz VRNXFHVSZBCKNU-UHFFFAOYSA-N 1 3 322.453 2.136 20 0 DEADHO CCN(C(=O)NCCC[N@H+](C)CC(C)C)[C@@H]1CCN(CC)C1 ZINC000665217249 425521858 /nfs/dbraw/zinc/52/18/58/425521858.db2.gz CAZCXMKZZLPILE-MRXNPFEDSA-N 1 3 312.502 2.090 20 0 DEADHO CCN(C(=O)NCCC[N@@H+](C)CC(C)C)[C@@H]1CCN(CC)C1 ZINC000665217249 425521861 /nfs/dbraw/zinc/52/18/61/425521861.db2.gz CAZCXMKZZLPILE-MRXNPFEDSA-N 1 3 312.502 2.090 20 0 DEADHO C[C@H]1C[C@@H]([NH2+][C@@H]2CNCC[C@@H]2c2cccc(F)c2)CCN1C ZINC000665254767 425529070 /nfs/dbraw/zinc/52/90/70/425529070.db2.gz YVGGFMOFEUNJGS-VIBAHUMZSA-N 1 3 305.441 2.344 20 0 DEADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H]2CCOC[C@@H]2C)cc1F ZINC000665259364 425531043 /nfs/dbraw/zinc/53/10/43/425531043.db2.gz DADYKAYAWWEIQN-CSFVBSKPSA-N 1 3 322.424 2.294 20 0 DEADHO CC(C)[C@H]([NH3+])CCN[C@H](C)[C@H](c1ccccc1)N1CCOCC1 ZINC000665280701 425536170 /nfs/dbraw/zinc/53/61/70/425536170.db2.gz JFIOMSMEAUUIRN-BHIYHBOVSA-N 1 3 319.493 2.411 20 0 DEADHO COc1ccccc1NC(=O)C[C@@H](C)NCC[C@@H]([NH3+])C(C)C ZINC000665280330 425536641 /nfs/dbraw/zinc/53/66/41/425536641.db2.gz YYPYEBLDJJGSGG-ZIAGYGMSSA-N 1 3 307.438 2.375 20 0 DEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000664934804 425482031 /nfs/dbraw/zinc/48/20/31/425482031.db2.gz MZDGDSWYAQKNGK-HZPDHXFCSA-N 1 3 312.502 2.233 20 0 DEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000664934804 425482034 /nfs/dbraw/zinc/48/20/34/425482034.db2.gz MZDGDSWYAQKNGK-HZPDHXFCSA-N 1 3 312.502 2.233 20 0 DEADHO CCN(C(=O)NC1CC[NH+](C2CCC2)CC1)[C@@H]1CCN(CC)C1 ZINC000665054608 425498582 /nfs/dbraw/zinc/49/85/82/425498582.db2.gz BAPQHUPCBBKVCC-QGZVFWFLSA-N 1 3 322.497 2.129 20 0 DEADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@H]2CCN2C(C)(C)C)CC1 ZINC000665366390 425553285 /nfs/dbraw/zinc/55/32/85/425553285.db2.gz YHARRUIYUHDYJP-OAHLLOKOSA-N 1 3 310.486 2.031 20 0 DEADHO C[NH+](C)CCc1ccc(NC(=O)C2(N)CC3(CCC3)C2)cc1 ZINC000659285908 425567148 /nfs/dbraw/zinc/56/71/48/425567148.db2.gz UACGIKXDJVHBBR-UHFFFAOYSA-N 1 3 301.434 2.391 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000655494625 425581282 /nfs/dbraw/zinc/58/12/82/425581282.db2.gz LSBUFLLCBBCCCJ-HOTGVXAUSA-N 1 3 309.498 2.345 20 0 DEADHO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc2c(c1)CNC2 ZINC000659349005 425583483 /nfs/dbraw/zinc/58/34/83/425583483.db2.gz VFHRDHYYKMGZKQ-RTBURBONSA-N 1 3 321.424 2.165 20 0 DEADHO NC[C@H](NC(=O)CC[C@H]([NH3+])CC1CCCCC1)C(F)(F)F ZINC000655518741 425588289 /nfs/dbraw/zinc/58/82/89/425588289.db2.gz LJJJRLKVHQBQHN-RYUDHWBXSA-N 1 3 309.376 2.070 20 0 DEADHO CC(C)(C)N1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000665557599 425597815 /nfs/dbraw/zinc/59/78/15/425597815.db2.gz ZKYBMDCQDSRLPP-JKSUJKDBSA-N 1 3 322.497 2.129 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)C(C1CC1)C1CC1 ZINC000665639820 425611496 /nfs/dbraw/zinc/61/14/96/425611496.db2.gz GIEMTKLKYIWCAG-AWEZNQCLSA-N 1 3 324.513 2.088 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)C(C1CC1)C1CC1 ZINC000665639820 425611498 /nfs/dbraw/zinc/61/14/98/425611498.db2.gz GIEMTKLKYIWCAG-AWEZNQCLSA-N 1 3 324.513 2.088 20 0 DEADHO CCN(CC)[C@H](CNC(=O)N(C)CC(C)(C)[NH3+])c1ccccc1 ZINC000659427960 425600844 /nfs/dbraw/zinc/60/08/44/425600844.db2.gz VGVFOBQIJITDMZ-MRXNPFEDSA-N 1 3 320.481 2.448 20 0 DEADHO COc1cc(CN(C)C[C@H]2CCC3(C[NH2+]C3)O2)ccc1SC ZINC000662255309 425601417 /nfs/dbraw/zinc/60/14/17/425601417.db2.gz XRPCGDKHVGBNSH-CQSZACIVSA-N 1 3 322.474 2.370 20 0 DEADHO COCCCC[N@@H+](Cc1ccccc1)C[C@@H]1CCC2(CNC2)O1 ZINC000662254192 425602001 /nfs/dbraw/zinc/60/20/01/425602001.db2.gz NMJYGAJECRLOAE-SFHVURJKSA-N 1 3 318.461 2.436 20 0 DEADHO COCCCC[N@H+](Cc1ccccc1)C[C@@H]1CCC2(CNC2)O1 ZINC000662254192 425602006 /nfs/dbraw/zinc/60/20/06/425602006.db2.gz NMJYGAJECRLOAE-SFHVURJKSA-N 1 3 318.461 2.436 20 0 DEADHO COc1ccc([C@@H]2CC[N@H+](C[C@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662256088 425605004 /nfs/dbraw/zinc/60/50/04/425605004.db2.gz FVZVIDBVPQZOKT-NVXWUHKLSA-N 1 3 302.418 2.006 20 0 DEADHO COc1ccc([C@@H]2CC[N@@H+](C[C@H]3CCC4(CNC4)O3)C2)cc1 ZINC000662256088 425605008 /nfs/dbraw/zinc/60/50/08/425605008.db2.gz FVZVIDBVPQZOKT-NVXWUHKLSA-N 1 3 302.418 2.006 20 0 DEADHO C[NH2+]C[C@@H](C)NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000659456887 425607512 /nfs/dbraw/zinc/60/75/12/425607512.db2.gz SOGDNXQHYUQBLX-CABCVRRESA-N 1 3 318.465 2.119 20 0 DEADHO CN1CC[C@H](NC(=O)NCC2([NH3+])CCCC2)[C@@H]1c1ccccc1 ZINC000659473395 425611731 /nfs/dbraw/zinc/61/17/31/425611731.db2.gz JDBJSPXPYFBXRV-HOTGVXAUSA-N 1 3 316.449 2.003 20 0 DEADHO O=C(NCC[NH2+]C1CCCCCC1)c1cccc2c1CCNC2 ZINC000662420567 425647179 /nfs/dbraw/zinc/64/71/79/425647179.db2.gz CJFISPKKCGQOFK-UHFFFAOYSA-N 1 3 315.461 2.375 20 0 DEADHO CC[C@H]([NH2+]C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000662490284 425663525 /nfs/dbraw/zinc/66/35/25/425663525.db2.gz BKZYALKTWGDDKJ-XIRDDKMYSA-N 1 3 303.450 2.011 20 0 DEADHO O=C(C[C@@H]1NCc2ccccc21)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000662519109 425672715 /nfs/dbraw/zinc/67/27/15/425672715.db2.gz XQCQGKMQZHSJDI-YJBOKZPZSA-N 1 3 313.445 2.069 20 0 DEADHO CC[C@H](C)N[C@H](CNC(=O)N(C)CC(C)(C)[NH3+])c1ccco1 ZINC000659491664 425615086 /nfs/dbraw/zinc/61/50/86/425615086.db2.gz CNYCSCPGAOUNHR-QWHCGFSZSA-N 1 3 310.442 2.088 20 0 DEADHO O=C(CN1CCC[C@@H](C2CC[NH2+]CC2)C1)N1CCCCCC1 ZINC000662295728 425616714 /nfs/dbraw/zinc/61/67/14/425616714.db2.gz RPUZYGCWIFEBSP-QGZVFWFLSA-N 1 3 307.482 2.101 20 0 DEADHO CCC(CC)NC(=O)[C@@H](C)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662299101 425618026 /nfs/dbraw/zinc/61/80/26/425618026.db2.gz ZPBXSILYWKOEOW-ZBFHGGJFSA-N 1 3 309.498 2.391 20 0 DEADHO C[C@@H]1CCCN(CC(=O)N(C)c2ccccc2)[C@@H]1CCC[NH3+] ZINC000662313537 425621991 /nfs/dbraw/zinc/62/19/91/425621991.db2.gz USZDYDBMHQOJRP-NVXWUHKLSA-N 1 3 303.450 2.489 20 0 DEADHO CCCN1CC[C@@H](NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000659545518 425625242 /nfs/dbraw/zinc/62/52/42/425625242.db2.gz OLOGFYURDQAEBR-SJORKVTESA-N 1 3 318.465 2.250 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662336818 425627523 /nfs/dbraw/zinc/62/75/23/425627523.db2.gz GYFKXRHKYOAXFR-HUUCEWRRSA-N 1 3 305.470 2.045 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662336818 425627526 /nfs/dbraw/zinc/62/75/26/425627526.db2.gz GYFKXRHKYOAXFR-HUUCEWRRSA-N 1 3 305.470 2.045 20 0 DEADHO CCC(CC)C[N@@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662337928 425627698 /nfs/dbraw/zinc/62/76/98/425627698.db2.gz NYEVNNUTOLOWBI-MRXNPFEDSA-N 1 3 319.497 2.435 20 0 DEADHO CCC(CC)C[N@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662337928 425627703 /nfs/dbraw/zinc/62/77/03/425627703.db2.gz NYEVNNUTOLOWBI-MRXNPFEDSA-N 1 3 319.497 2.435 20 0 DEADHO CC[C@H](C)C[N@@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662336816 425628015 /nfs/dbraw/zinc/62/80/15/425628015.db2.gz GYFKXRHKYOAXFR-GJZGRUSLSA-N 1 3 305.470 2.045 20 0 DEADHO CC[C@H](C)C[N@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662336816 425628018 /nfs/dbraw/zinc/62/80/18/425628018.db2.gz GYFKXRHKYOAXFR-GJZGRUSLSA-N 1 3 305.470 2.045 20 0 DEADHO CN(CC[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)C1CCCCC1 ZINC000655699635 425632263 /nfs/dbraw/zinc/63/22/63/425632263.db2.gz GUPJASLPCNPBHH-IBGZPJMESA-N 1 3 323.525 2.484 20 0 DEADHO CC(C)N1CCC[C@@H](C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000655717058 425636968 /nfs/dbraw/zinc/63/69/68/425636968.db2.gz TWQUWYSSTFOBQP-HKUYNNGSSA-N 1 3 323.525 2.340 20 0 DEADHO CC(C)[C@H]([NH3+])CCNC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000659618749 425637769 /nfs/dbraw/zinc/63/77/69/425637769.db2.gz FOFWRJYOLPKUEF-MRXNPFEDSA-N 1 3 324.469 2.116 20 0 DEADHO O=C(C[C@H]1NCc2ccccc21)NC1CC[NH+](CC2CC2)CC1 ZINC000662394262 425640445 /nfs/dbraw/zinc/64/04/45/425640445.db2.gz RSIGKEYRNLTZLL-GOSISDBHSA-N 1 3 313.445 2.212 20 0 DEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)CC(C)(C)C ZINC000665763717 425641063 /nfs/dbraw/zinc/64/10/63/425641063.db2.gz KAADVBDAXCKAJN-GJZGRUSLSA-N 1 3 314.518 2.382 20 0 DEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)CC(C)(C)C ZINC000665763717 425641066 /nfs/dbraw/zinc/64/10/66/425641066.db2.gz KAADVBDAXCKAJN-GJZGRUSLSA-N 1 3 314.518 2.382 20 0 DEADHO O=C(Nc1ccc2c(c1)CNC2)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655909165 425681877 /nfs/dbraw/zinc/68/18/77/425681877.db2.gz BILKRKDNGJUOFU-DLBZAZTESA-N 1 3 314.433 2.428 20 0 DEADHO O=C(Nc1ccc2c(c1)CNC2)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655909165 425681880 /nfs/dbraw/zinc/68/18/80/425681880.db2.gz BILKRKDNGJUOFU-DLBZAZTESA-N 1 3 314.433 2.428 20 0 DEADHO [NH3+]Cc1ccc(NC(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000655909432 425683015 /nfs/dbraw/zinc/68/30/15/425683015.db2.gz JTTOYTKOPYLMMK-HOTGVXAUSA-N 1 3 302.422 2.284 20 0 DEADHO CO[C@@H](C[NH+]1CCC(N(C)C[C@H](C)O)CC1)C1CCCCC1 ZINC000659897130 425683810 /nfs/dbraw/zinc/68/38/10/425683810.db2.gz STOYNUHANZDBAA-YJBOKZPZSA-N 1 3 312.498 2.359 20 0 DEADHO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2cccc3c2CNC3)CC1 ZINC000662578044 425685240 /nfs/dbraw/zinc/68/52/40/425685240.db2.gz PLQMWDYMGVAMER-KRWDZBQOSA-N 1 3 313.445 2.140 20 0 DEADHO N[C@@H](CC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)c1ccccc1 ZINC000662587581 425687103 /nfs/dbraw/zinc/68/71/03/425687103.db2.gz HYTXAONHZYIDGQ-MSOLQXFVSA-N 1 3 315.461 2.315 20 0 DEADHO C[C@@H](C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)N1CCCCCC1 ZINC000662598576 425690915 /nfs/dbraw/zinc/69/09/15/425690915.db2.gz WGMZYYJSGMWKLG-WMZOPIPTSA-N 1 3 321.509 2.489 20 0 DEADHO [NH3+]C1(CNC(=O)N[C@H]2CCCN3CCCC[C@H]23)CCCCCC1 ZINC000655961138 425694315 /nfs/dbraw/zinc/69/43/15/425694315.db2.gz IELVPLAWFKWIBG-JKSUJKDBSA-N 1 3 322.497 2.354 20 0 DEADHO CCC[NH+](CCC)CCCC(=O)Nc1nn(C)c(C)c1CN ZINC000662836926 425743968 /nfs/dbraw/zinc/74/39/68/425743968.db2.gz IHBLDSIOCAQIDN-UHFFFAOYSA-N 1 3 309.458 2.028 20 0 DEADHO CCC(C)(C)N1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000655967105 425695359 /nfs/dbraw/zinc/69/53/59/425695359.db2.gz MQRUIAAZTRRGIC-HNNXBMFYSA-N 1 3 310.486 2.020 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000662658167 425705012 /nfs/dbraw/zinc/70/50/12/425705012.db2.gz BWHZUECJGVKLQH-JQHSSLGASA-N 1 3 317.477 2.135 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000662658167 425705014 /nfs/dbraw/zinc/70/50/14/425705014.db2.gz BWHZUECJGVKLQH-JQHSSLGASA-N 1 3 317.477 2.135 20 0 DEADHO O=C(N[C@@H]1CCN(C2CCCCC2)C1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000662669439 425708464 /nfs/dbraw/zinc/70/84/64/425708464.db2.gz ZEOJRGYGWONYHU-PVAVHDDUSA-N 1 3 305.466 2.040 20 0 DEADHO CC(C)C[C@H](CNC(=O)c1cc2c(s1)CCNC2)[NH+](C)C ZINC000662673497 425709414 /nfs/dbraw/zinc/70/94/14/425709414.db2.gz LXLHIJTYVAAQGS-CYBMUJFWSA-N 1 3 309.479 2.100 20 0 DEADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C1(NC2CC2)CCC1 ZINC000662695949 425715608 /nfs/dbraw/zinc/71/56/08/425715608.db2.gz RAVGZHLWDAMVEA-KFWWJZLASA-N 1 3 307.482 2.144 20 0 DEADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)CC1([NH3+])CC1 ZINC000662705815 425719336 /nfs/dbraw/zinc/71/93/36/425719336.db2.gz QWTNXYIGINCCHZ-UHFFFAOYSA-N 1 3 319.474 2.364 20 0 DEADHO C[C@@H]1CCN(CCNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)C1 ZINC000662744677 425726390 /nfs/dbraw/zinc/72/63/90/425726390.db2.gz COBWYFCPEAHTFQ-RHSMWYFYSA-N 1 3 315.461 2.137 20 0 DEADHO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)c1cccc2c1CNC2 ZINC000662776371 425733383 /nfs/dbraw/zinc/73/33/83/425733383.db2.gz KAGRRYCLWDQHFE-UHFFFAOYSA-N 1 3 311.360 2.327 20 0 DEADHO CN1CCN(CCCC[NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000656476168 425779211 /nfs/dbraw/zinc/77/92/11/425779211.db2.gz BMINCWGRSVCXTN-UHFFFAOYSA-N 1 3 309.885 2.500 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000660403233 425808972 /nfs/dbraw/zinc/80/89/72/425808972.db2.gz BBUAIDOCPCFAIE-SJORKVTESA-N 1 3 324.513 2.282 20 0 DEADHO CCCN1CC[C@H](NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000660403233 425808973 /nfs/dbraw/zinc/80/89/73/425808973.db2.gz BBUAIDOCPCFAIE-SJORKVTESA-N 1 3 324.513 2.282 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662847010 425749486 /nfs/dbraw/zinc/74/94/86/425749486.db2.gz XJJQYIMXYRRNAU-IRXDYDNUSA-N 1 3 307.482 2.099 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000662871658 425753279 /nfs/dbraw/zinc/75/32/79/425753279.db2.gz BWHZUECJGVKLQH-NXHRZFHOSA-N 1 3 317.477 2.135 20 0 DEADHO CC[C@@H](C)[C@H](N)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000662871658 425753283 /nfs/dbraw/zinc/75/32/83/425753283.db2.gz BWHZUECJGVKLQH-NXHRZFHOSA-N 1 3 317.477 2.135 20 0 DEADHO COC(=O)c1cc(CNCc2ccc(C[NH+](C)C)cc2)cn1C ZINC000347914308 269030292 /nfs/dbraw/zinc/03/02/92/269030292.db2.gz BKRJWPYJNFMMLD-UHFFFAOYSA-N 1 3 315.417 2.163 20 0 DEADHO CCN(CC)CC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000360040892 269047274 /nfs/dbraw/zinc/04/72/74/269047274.db2.gz NWXQHMOYYDRTIE-UHFFFAOYSA-N 1 3 309.498 2.489 20 0 DEADHO CCC[C@](C)([NH3+])C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000370766099 269082606 /nfs/dbraw/zinc/08/26/06/269082606.db2.gz JPWKBGSXGORALY-AEFFLSMTSA-N 1 3 303.450 2.237 20 0 DEADHO C[C@@H](CNC(=O)[C@H]1C[C@H](C)CC[NH2+]1)N(C)Cc1ccccc1 ZINC000390715006 269097982 /nfs/dbraw/zinc/09/79/82/269097982.db2.gz KHPTYLOFEYAKOP-HLLBOEOZSA-N 1 3 303.450 2.011 20 0 DEADHO C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)CN1Cc1ccccc1 ZINC000398067227 269107945 /nfs/dbraw/zinc/10/79/45/269107945.db2.gz NZUQGGRWWUKNCP-FZCLSBEQSA-N 1 3 315.461 2.154 20 0 DEADHO CNCCC[NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496097426 269199822 /nfs/dbraw/zinc/19/98/22/269199822.db2.gz DUPUAJNQQCJWGO-UHFFFAOYSA-N 1 3 319.449 2.234 20 0 DEADHO C[NH2+]CCCNCC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496097426 269199823 /nfs/dbraw/zinc/19/98/23/269199823.db2.gz DUPUAJNQQCJWGO-UHFFFAOYSA-N 1 3 319.449 2.234 20 0 DEADHO CCOC(=O)N1CCC([C@H](C)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000496470555 269221320 /nfs/dbraw/zinc/22/13/20/269221320.db2.gz OXSZFSTVMPRBDP-NTQSIJHJSA-N 1 3 309.454 2.116 20 0 DEADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000514667063 269327135 /nfs/dbraw/zinc/32/71/35/269327135.db2.gz MKPQGXCKGZIPBU-XHSDSOJGSA-N 1 3 323.506 2.229 20 0 DEADHO CC[N@H+](C)C[C@@H](O)CN(Cc1ccccc1)CC1CCOCC1 ZINC000516843120 269369729 /nfs/dbraw/zinc/36/97/29/269369729.db2.gz FRVRGIDSZCUOKZ-LJQANCHMSA-N 1 3 320.477 2.228 20 0 DEADHO CC[N@@H+](C)C[C@@H](O)CN(Cc1ccccc1)CC1CCOCC1 ZINC000516843120 269369731 /nfs/dbraw/zinc/36/97/31/269369731.db2.gz FRVRGIDSZCUOKZ-LJQANCHMSA-N 1 3 320.477 2.228 20 0 DEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000289782648 274339820 /nfs/dbraw/zinc/33/98/20/274339820.db2.gz MUKOGSNTMWCRJV-LIEJCIORSA-N 1 3 302.462 2.471 20 0 DEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000289782648 274339822 /nfs/dbraw/zinc/33/98/22/274339822.db2.gz MUKOGSNTMWCRJV-LIEJCIORSA-N 1 3 302.462 2.471 20 0 DEADHO C(CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)O[C@H]1CCCCO1 ZINC000193075580 275393057 /nfs/dbraw/zinc/39/30/57/275393057.db2.gz WDMVRZXKYJQQEZ-NXHRZFHOSA-N 1 3 308.466 2.478 20 0 DEADHO C(CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)O[C@H]1CCCCO1 ZINC000193075580 275393060 /nfs/dbraw/zinc/39/30/60/275393060.db2.gz WDMVRZXKYJQQEZ-NXHRZFHOSA-N 1 3 308.466 2.478 20 0 DEADHO C(COC1CCCCCC1)N[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422755801 275394196 /nfs/dbraw/zinc/39/41/96/275394196.db2.gz HDCXLRZCHIAFAQ-FGTMMUONSA-N 1 3 310.482 2.473 20 0 DEADHO CCN1CCC([N@@H+]2CCCN(C[C@H]3CC[C@H](C)O3)CC2)CC1 ZINC000420977383 276358966 /nfs/dbraw/zinc/35/89/66/276358966.db2.gz HXYQSVYEXRUNMF-FUHWJXTLSA-N 1 3 309.498 2.046 20 0 DEADHO CCN1CCC([N@H+]2CCCN(C[C@H]3CC[C@H](C)O3)CC2)CC1 ZINC000420977383 276358967 /nfs/dbraw/zinc/35/89/67/276358967.db2.gz HXYQSVYEXRUNMF-FUHWJXTLSA-N 1 3 309.498 2.046 20 0 DEADHO CN(C)CCOc1ccc(NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])cc1 ZINC000263308728 276792586 /nfs/dbraw/zinc/79/25/86/276792586.db2.gz YGBOGOCSSQEWBI-FUHWJXTLSA-N 1 3 319.449 2.473 20 0 DEADHO C[NH2+]Cc1cccc(NC(=O)N2CCCC23CCN(C)CC3)c1 ZINC000415944300 277033974 /nfs/dbraw/zinc/03/39/74/277033974.db2.gz OXHHXPJSQUPDQD-UHFFFAOYSA-N 1 3 316.449 2.498 20 0 DEADHO CC(C)N(C(=O)CN1CCC(C[NH+](C)C)CC1)C1CCCC1 ZINC000350923198 277523957 /nfs/dbraw/zinc/52/39/57/277523957.db2.gz WQYHYOSBOFZCKB-UHFFFAOYSA-N 1 3 309.498 2.440 20 0 DEADHO C(CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)COCC1CCOCC1 ZINC000422783612 277719845 /nfs/dbraw/zinc/71/98/45/277719845.db2.gz NCWFZRXUILRZAW-KZNAEPCWSA-N 1 3 310.482 2.330 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)N1CCCCC1 ZINC000343630485 277861563 /nfs/dbraw/zinc/86/15/63/277861563.db2.gz UGVVHRKCVIBEDH-SJLPKXTDSA-N 1 3 307.482 2.099 20 0 DEADHO CC(=O)NCCc1ccc([C@H](C)[NH2+][C@@H]2CCNC[C@H]2C)cc1 ZINC000423389329 278118326 /nfs/dbraw/zinc/11/83/26/278118326.db2.gz JIKPZPAZQIASLJ-QWQRMKEZSA-N 1 3 303.450 2.014 20 0 DEADHO CC(=O)Nc1cccc(OCCN[C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422938316 278209179 /nfs/dbraw/zinc/20/91/79/278209179.db2.gz DPCQFYVYQZRNOX-CXAGYDPISA-N 1 3 305.422 2.002 20 0 DEADHO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CCC2(C1)CC[NH2+]CC2 ZINC000358507590 278210006 /nfs/dbraw/zinc/21/00/06/278210006.db2.gz KYAWAWKFAJGXIU-OWCLPIDISA-N 1 3 307.482 2.145 20 0 DEADHO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N1CCC[C@@H](CC[NH3+])C1 ZINC000443079429 278212318 /nfs/dbraw/zinc/21/23/18/278212318.db2.gz ZMLOTAQIAOHNPT-XAJHFOFHSA-N 1 3 309.498 2.377 20 0 DEADHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000459775330 278259551 /nfs/dbraw/zinc/25/95/51/278259551.db2.gz JKQUYZWJVABWJY-GJZGRUSLSA-N 1 3 324.490 2.473 20 0 DEADHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000459775330 278259552 /nfs/dbraw/zinc/25/95/52/278259552.db2.gz JKQUYZWJVABWJY-GJZGRUSLSA-N 1 3 324.490 2.473 20 0 DEADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1ccc(-n2cnnn2)cc1 ZINC000247038077 278271846 /nfs/dbraw/zinc/27/18/46/278271846.db2.gz LQCMRRUTVZJWTA-YSVLISHTSA-N 1 3 314.437 2.186 20 0 DEADHO C[C@@H]([NH3+])CCC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000193321509 278306019 /nfs/dbraw/zinc/30/60/19/278306019.db2.gz NIFICXTZUIWNCR-CVEARBPZSA-N 1 3 303.450 2.237 20 0 DEADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000361104538 278565472 /nfs/dbraw/zinc/56/54/72/278565472.db2.gz FJHSCLKHVBNQMF-PBHICJAKSA-N 1 3 303.406 2.015 20 0 DEADHO C[C@H](C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)N1CCCCCC1 ZINC000372768974 279195357 /nfs/dbraw/zinc/19/53/57/279195357.db2.gz MVELUWAXEYDHKX-ZACQAIPSSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H](C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)N1CCCCCC1 ZINC000372768974 279195358 /nfs/dbraw/zinc/19/53/58/279195358.db2.gz MVELUWAXEYDHKX-ZACQAIPSSA-N 1 3 307.482 2.194 20 0 DEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424460097 279282429 /nfs/dbraw/zinc/28/24/29/279282429.db2.gz IGHJRRZQAYMUSV-DJIMGWMZSA-N 1 3 318.465 2.076 20 0 DEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000345222701 279329461 /nfs/dbraw/zinc/32/94/61/279329461.db2.gz MBXAECDHAHVVRQ-WNRNVDISSA-N 1 3 321.509 2.297 20 0 DEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000345222701 279329462 /nfs/dbraw/zinc/32/94/62/279329462.db2.gz MBXAECDHAHVVRQ-WNRNVDISSA-N 1 3 321.509 2.297 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1NCCc2ccccc21)[NH+](CC)CC ZINC000357236442 280078848 /nfs/dbraw/zinc/07/88/48/280078848.db2.gz CZEDWCBTMUYJLK-SJORKVTESA-N 1 3 303.450 2.110 20 0 DEADHO CC(C)[C@H]([NH3+])CNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000417013054 280285924 /nfs/dbraw/zinc/28/59/24/280285924.db2.gz BPDZKEPIHKCMDN-IAGOWNOFSA-N 1 3 318.465 2.106 20 0 DEADHO CC[C@H](C)[C@H](N)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000237003510 280781600 /nfs/dbraw/zinc/78/16/00/280781600.db2.gz QQTUUILIGGMBPE-ULQDDVLXSA-N 1 3 309.498 2.474 20 0 DEADHO Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000415093927 280927110 /nfs/dbraw/zinc/92/71/10/280927110.db2.gz CVVHTMWNHHGCNH-JYJNAYRXSA-N 1 3 324.490 2.135 20 0 DEADHO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2NCCCC[NH3+])cc1 ZINC000423335008 280933239 /nfs/dbraw/zinc/93/32/39/280933239.db2.gz TUZYLCDTTKSIGD-IRXDYDNUSA-N 1 3 324.490 2.408 20 0 DEADHO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@@H]2NCCCC2(C)C)CC1 ZINC000424039433 281282101 /nfs/dbraw/zinc/28/21/01/281282101.db2.gz JUYOEPLYSZYCTA-GJZGRUSLSA-N 1 3 307.482 2.001 20 0 DEADHO CCN1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000133763318 282023899 /nfs/dbraw/zinc/02/38/99/282023899.db2.gz KKWYJHRLYXETBN-KRWDZBQOSA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CCC(NC(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000133763318 282023900 /nfs/dbraw/zinc/02/39/00/282023900.db2.gz KKWYJHRLYXETBN-KRWDZBQOSA-N 1 3 324.513 2.280 20 0 DEADHO C[NH+](C)C1(CNC(=O)[C@H]2CCCN2C2CCCC2)CCCC1 ZINC000440104485 282042027 /nfs/dbraw/zinc/04/20/27/282042027.db2.gz LXAJVWLJEKUEBG-MRXNPFEDSA-N 1 3 307.482 2.384 20 0 DEADHO Cn1ccnc1[C@H](NC1CCC([NH+](C)C)CC1)C1CCOCC1 ZINC000353862964 289065855 /nfs/dbraw/zinc/06/58/55/289065855.db2.gz FKIPAJBLJUZOLR-OFLPRAFFSA-N 1 3 320.481 2.350 20 0 DEADHO CN1CC[C@H]2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC000355806951 289081158 /nfs/dbraw/zinc/08/11/58/289081158.db2.gz GQSUWPBMWZJPGB-JKSUJKDBSA-N 1 3 307.482 2.051 20 0 DEADHO CN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000338300696 289195925 /nfs/dbraw/zinc/19/59/25/289195925.db2.gz FLVQTOZVQZOYAY-IRXDYDNUSA-N 1 3 315.461 2.032 20 0 DEADHO CN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000338300696 289195930 /nfs/dbraw/zinc/19/59/30/289195930.db2.gz FLVQTOZVQZOYAY-IRXDYDNUSA-N 1 3 315.461 2.032 20 0 DEADHO C[NH+](C)C[C@@H]1CCN(C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000338300696 289195933 /nfs/dbraw/zinc/19/59/33/289195933.db2.gz FLVQTOZVQZOYAY-IRXDYDNUSA-N 1 3 315.461 2.032 20 0 DEADHO CN(C)[C@H](CNC(=O)N(C)CC[N@H+](C)C1CC1)c1ccccc1 ZINC000185050714 289354756 /nfs/dbraw/zinc/35/47/56/289354756.db2.gz JVUNXRSZRJLPTH-QGZVFWFLSA-N 1 3 318.465 2.025 20 0 DEADHO CN(C)[C@H](CNC(=O)N(C)CC[N@@H+](C)C1CC1)c1ccccc1 ZINC000185050714 289354757 /nfs/dbraw/zinc/35/47/57/289354757.db2.gz JVUNXRSZRJLPTH-QGZVFWFLSA-N 1 3 318.465 2.025 20 0 DEADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000352154952 289407227 /nfs/dbraw/zinc/40/72/27/289407227.db2.gz RJXOOOCDLNTUQP-DJIMGWMZSA-N 1 3 324.513 2.231 20 0 DEADHO C[C@H](c1ccccc1Cl)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178513 290262688 /nfs/dbraw/zinc/26/26/88/290262688.db2.gz AZNTWLDQZGXFQT-OLZOCXBDSA-N 1 3 309.841 2.188 20 0 DEADHO C[C@H](C(=O)N1CCC2(CC[NH2+]CC2)CC1)N1CCCCCC1 ZINC000357867393 298010584 /nfs/dbraw/zinc/01/05/84/298010584.db2.gz VEDYIBPROLWICO-MRXNPFEDSA-N 1 3 307.482 2.243 20 0 DEADHO C[C@H](CCC[NH3+])NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000417020387 298397496 /nfs/dbraw/zinc/39/74/96/298397496.db2.gz IWWVAHCDRHVDFD-NVXWUHKLSA-N 1 3 318.465 2.250 20 0 DEADHO Cc1ccc2c(CC[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)N)c[nH]c2c1 ZINC000422847713 301874444 /nfs/dbraw/zinc/87/44/44/301874444.db2.gz RWQUVINXPXGAKE-KBRIMQKVSA-N 1 3 301.434 2.361 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2ccccc2)C1 ZINC000414677266 303365856 /nfs/dbraw/zinc/36/58/56/303365856.db2.gz ITAVQAAJMNWOHH-DOTOQJQBSA-N 1 3 301.434 2.021 20 0 DEADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2ccccc2)C1 ZINC000414677266 303365857 /nfs/dbraw/zinc/36/58/57/303365857.db2.gz ITAVQAAJMNWOHH-DOTOQJQBSA-N 1 3 301.434 2.021 20 0 DEADHO NC[C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000238013079 303390776 /nfs/dbraw/zinc/39/07/76/303390776.db2.gz HYMSAPZTFLOYQM-ZWKOTPCHSA-N 1 3 315.461 2.206 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001368908989 1148763861 /nfs/dbraw/zinc/76/38/61/1148763861.db2.gz YCFUYNPYNLXWIB-STQMWFEESA-N 1 3 318.465 2.324 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)CCC[N@H+](C)CC[C@H](C)F ZINC001424338964 1173765181 /nfs/dbraw/zinc/76/51/81/1173765181.db2.gz IBDGQBHEYPAGCE-HOTGVXAUSA-N 1 3 315.477 2.389 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N(C)CCC[N@@H+](C)CC[C@H](C)F ZINC001424338964 1173765183 /nfs/dbraw/zinc/76/51/83/1173765183.db2.gz IBDGQBHEYPAGCE-HOTGVXAUSA-N 1 3 315.477 2.389 20 0 DEADHO CC(C)n1cc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000171840842 325724396 /nfs/dbraw/zinc/72/43/96/325724396.db2.gz ZWDKFZMBIJWKTJ-HOTGVXAUSA-N 1 3 308.470 2.443 20 0 DEADHO C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CNCc3ccccc32)cc1 ZINC000573202231 326032229 /nfs/dbraw/zinc/03/22/29/326032229.db2.gz QZJFPQJGDQOJBO-LJQANCHMSA-N 1 3 323.440 2.251 20 0 DEADHO C[N@H+](C[C@H](O)CNCCc1ccccc1C(F)(F)F)C1CC1 ZINC000573676268 326080416 /nfs/dbraw/zinc/08/04/16/326080416.db2.gz HYTNNPWKVWSAEY-CQSZACIVSA-N 1 3 316.367 2.293 20 0 DEADHO C[N@@H+](C[C@H](O)CNCCc1ccccc1C(F)(F)F)C1CC1 ZINC000573676268 326080420 /nfs/dbraw/zinc/08/04/20/326080420.db2.gz HYTNNPWKVWSAEY-CQSZACIVSA-N 1 3 316.367 2.293 20 0 DEADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1CNCc2ccccc21 ZINC000573805451 326094458 /nfs/dbraw/zinc/09/44/58/326094458.db2.gz BXYMDRRMKXMBPV-SJLPKXTDSA-N 1 3 315.461 2.206 20 0 DEADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@@H]1CNCc2ccccc21 ZINC000573805451 326094461 /nfs/dbraw/zinc/09/44/61/326094461.db2.gz BXYMDRRMKXMBPV-SJLPKXTDSA-N 1 3 315.461 2.206 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H](NCc2cccc(CN3CCCC3=O)c2)C1 ZINC000573981039 326112004 /nfs/dbraw/zinc/11/20/04/326112004.db2.gz ICNARVSBGIKJAX-IAGOWNOFSA-N 1 3 301.434 2.169 20 0 DEADHO CC(C)[NH+](CCCNC(=O)[C@H]1CNCc2ccccc21)C(C)C ZINC000577175907 326347374 /nfs/dbraw/zinc/34/73/74/326347374.db2.gz LEUAVXDKMFMLNR-SFHVURJKSA-N 1 3 317.477 2.499 20 0 DEADHO C[C@H](NC(=O)[C@@H]1CCCN1C1CCCC1)C(C)(C)C[NH+](C)C ZINC000438545078 533708239 /nfs/dbraw/zinc/70/82/39/533708239.db2.gz LHBIKZNYONQRHW-HOCLYGCPSA-N 1 3 309.498 2.486 20 0 DEADHO CN(CC(=O)N1C[C@H]([NH2+]C/C=C\Cl)C(C)(C)C1)C1CCC1 ZINC001369440976 1148989780 /nfs/dbraw/zinc/98/97/80/1148989780.db2.gz PQNDSPTYQVFTAQ-PODYEWJSSA-N 1 3 313.873 2.050 20 0 DEADHO C[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CCN1Cc1ccccc1 ZINC000583417339 332395710 /nfs/dbraw/zinc/39/57/10/332395710.db2.gz ZCNQMYUTWKAOEO-WMZOPIPTSA-N 1 3 317.477 2.498 20 0 DEADHO COc1cc2c(cc1CNCC1CC[NH+](C)CC1)O[C@H](C)C2 ZINC000378881029 333058982 /nfs/dbraw/zinc/05/89/82/333058982.db2.gz GQKYEHQHKHBZRP-CYBMUJFWSA-N 1 3 304.434 2.450 20 0 DEADHO CC(C)NCC(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000582074102 333200658 /nfs/dbraw/zinc/20/06/58/333200658.db2.gz AIIKHYUHWDYNAO-FUHWJXTLSA-N 1 3 317.477 2.401 20 0 DEADHO CC(C)NCC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000582074102 333200660 /nfs/dbraw/zinc/20/06/60/333200660.db2.gz AIIKHYUHWDYNAO-FUHWJXTLSA-N 1 3 317.477 2.401 20 0 DEADHO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)c1 ZINC000582235430 336383668 /nfs/dbraw/zinc/38/36/68/336383668.db2.gz JXNVLCQMUYXIEE-GTAFRQKCSA-N 1 3 304.434 2.141 20 0 DEADHO CC[C@@H](N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000583022999 337226378 /nfs/dbraw/zinc/22/63/78/337226378.db2.gz NYNVFRMFDIYVBX-XJKSGUPXSA-N 1 3 305.422 2.083 20 0 DEADHO CC[C@@H](N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000583022999 337226379 /nfs/dbraw/zinc/22/63/79/337226379.db2.gz NYNVFRMFDIYVBX-XJKSGUPXSA-N 1 3 305.422 2.083 20 0 DEADHO CC[NH+]1CCC(NC[C@@H](O)COc2cc(C)ccc2C)CC1 ZINC000395710554 337227104 /nfs/dbraw/zinc/22/71/04/337227104.db2.gz GLJUAFQRBSFISD-QGZVFWFLSA-N 1 3 306.450 2.117 20 0 DEADHO CN(C)C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000583089006 337239177 /nfs/dbraw/zinc/23/91/77/337239177.db2.gz GCMDCEWRUOYYNF-CABCVRRESA-N 1 3 323.868 2.053 20 0 DEADHO CN(C)C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000583089006 337239178 /nfs/dbraw/zinc/23/91/78/337239178.db2.gz GCMDCEWRUOYYNF-CABCVRRESA-N 1 3 323.868 2.053 20 0 DEADHO CC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001378261958 1152260448 /nfs/dbraw/zinc/26/04/48/1152260448.db2.gz KMRZEJJVMFMWTN-DLBZAZTESA-N 1 3 323.456 2.459 20 0 DEADHO CC(C)N(C)CC(=O)N[C@]1(C[NH2+]CC2CC2)CCCC[C@@H]1C ZINC001378432784 1152327095 /nfs/dbraw/zinc/32/70/95/1152327095.db2.gz ORISQWUGMVFOJC-YJBOKZPZSA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)[C@H](C(=O)N[C@H](C[NH2+]CC1CCC1)C(C)(C)C)N(C)C ZINC001369560727 1149039609 /nfs/dbraw/zinc/03/96/09/1149039609.db2.gz FWAQGNSCHSHZNN-HZPDHXFCSA-N 1 3 311.514 2.493 20 0 DEADHO CC[N@H+](CCNC(=O)[C@H](C(C)C)N(C)C)CC1CC(F)(F)C1 ZINC001399806546 1161568941 /nfs/dbraw/zinc/56/89/41/1161568941.db2.gz GGLPTOUSFMLGCV-AWEZNQCLSA-N 1 3 319.440 2.056 20 0 DEADHO CC[N@@H+](CCNC(=O)[C@H](C(C)C)N(C)C)CC1CC(F)(F)C1 ZINC001399806546 1161568947 /nfs/dbraw/zinc/56/89/47/1161568947.db2.gz GGLPTOUSFMLGCV-AWEZNQCLSA-N 1 3 319.440 2.056 20 0 DEADHO COc1cc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)ccc1C ZINC000422787157 533769076 /nfs/dbraw/zinc/76/90/76/533769076.db2.gz RBXLSJPQOBQUDP-OKZBNKHCSA-N 1 3 318.461 2.293 20 0 DEADHO COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)N)cc1 ZINC000423016802 533788277 /nfs/dbraw/zinc/78/82/77/533788277.db2.gz UOPYQZWCHJBUCL-MJSCVDMRSA-N 1 3 306.450 2.216 20 0 DEADHO C[C@@H](CN1CCCCC1)NC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000417012711 533821651 /nfs/dbraw/zinc/82/16/51/533821651.db2.gz AXFZCMMWWXCOJQ-INIZCTEOSA-N 1 3 318.465 2.031 20 0 DEADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H](C[NH3+])CC(C)C)o1 ZINC000418421946 533883575 /nfs/dbraw/zinc/88/35/75/533883575.db2.gz AFEQTFVDYQKOJK-OAHLLOKOSA-N 1 3 324.469 2.035 20 0 DEADHO Cc1c([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cnn1C(C)C ZINC000442865670 533944591 /nfs/dbraw/zinc/94/45/91/533944591.db2.gz GDDPGYXYILGVCL-OAHLLOKOSA-N 1 3 321.513 2.449 20 0 DEADHO C[C@@H](CNC(=O)NC[C@H]1N(C)CCCC1(C)C)C[NH+]1CCCC1 ZINC000447951690 533969383 /nfs/dbraw/zinc/96/93/83/533969383.db2.gz NKFCQJWJLHQOSS-JKSUJKDBSA-N 1 3 324.513 2.138 20 0 DEADHO Cc1ccc([C@@H](CNC(=O)NC(C)(C)C[NH3+])N2CCCC2)cc1 ZINC000417353050 534219144 /nfs/dbraw/zinc/21/91/44/534219144.db2.gz HWHHYWJVLYSUJL-MRXNPFEDSA-N 1 3 318.465 2.168 20 0 DEADHO C[C@H](C[NH2+][C@@H](C)c1ccccc1F)N(C)C(=O)CN1CCCC1 ZINC001378853874 1152468492 /nfs/dbraw/zinc/46/84/92/1152468492.db2.gz PKHWNTFUMSUJDX-CABCVRRESA-N 1 3 321.440 2.419 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccsc2)C1)N(C)C ZINC001378876719 1152476242 /nfs/dbraw/zinc/47/62/42/1152476242.db2.gz ZTIYARNZMYJZHN-RBSFLKMASA-N 1 3 309.479 2.073 20 0 DEADHO CC[N@H+](CCNC(=O)NC[C@@H](c1ccccc1)N(C)C)C(C)C ZINC000102547094 521061426 /nfs/dbraw/zinc/06/14/26/521061426.db2.gz VSPRROIWWSVOGB-KRWDZBQOSA-N 1 3 320.481 2.319 20 0 DEADHO CC[N@@H+](CCNC(=O)NC[C@@H](c1ccccc1)N(C)C)C(C)C ZINC000102547094 521061433 /nfs/dbraw/zinc/06/14/33/521061433.db2.gz VSPRROIWWSVOGB-KRWDZBQOSA-N 1 3 320.481 2.319 20 0 DEADHO CCN1CCC(NC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000339519882 521576116 /nfs/dbraw/zinc/57/61/16/521576116.db2.gz VOGJHVGQIOFBFI-QAPCUYQASA-N 1 3 324.513 2.280 20 0 DEADHO CCN1CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)C1 ZINC000163215208 521711039 /nfs/dbraw/zinc/71/10/39/521711039.db2.gz AUTMESACVFZDRE-STQMWFEESA-N 1 3 324.856 2.384 20 0 DEADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)CC(=O)Nc2cccnc2Cl)C1 ZINC000163215208 521711041 /nfs/dbraw/zinc/71/10/41/521711041.db2.gz AUTMESACVFZDRE-STQMWFEESA-N 1 3 324.856 2.384 20 0 DEADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)CC(=O)Nc2cccnc2Cl)C1 ZINC000163215208 521711044 /nfs/dbraw/zinc/71/10/44/521711044.db2.gz AUTMESACVFZDRE-STQMWFEESA-N 1 3 324.856 2.384 20 0 DEADHO [NH3+]CC1(O)CCN(Cc2c(Cl)ccc3cccnc32)CC1 ZINC000415143308 534592111 /nfs/dbraw/zinc/59/21/11/534592111.db2.gz RXUNXZWBOHOCLG-UHFFFAOYSA-N 1 3 305.809 2.174 20 0 DEADHO [NH3+]CC[C@H]1CCCN([C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000443061935 534654153 /nfs/dbraw/zinc/65/41/53/534654153.db2.gz SNMKJIWHWVLKCR-RHSMWYFYSA-N 1 3 301.434 2.067 20 0 DEADHO CCc1oc(CN(C)CC2CC[NH+](C)CC2)cc1C(=O)OC ZINC000338943756 523003650 /nfs/dbraw/zinc/00/36/50/523003650.db2.gz AKHYJFQWCQIIQA-UHFFFAOYSA-N 1 3 308.422 2.402 20 0 DEADHO [NH3+][C@@H]1CCC[C@H]1NCCCOc1ccc(C(F)(F)F)cn1 ZINC000423070572 534716375 /nfs/dbraw/zinc/71/63/75/534716375.db2.gz GFNKBEZALPZQPC-VXGBXAGGSA-N 1 3 303.328 2.339 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CCC2CCOCC2)CC1 ZINC000336875371 524657039 /nfs/dbraw/zinc/65/70/39/524657039.db2.gz FVFMEPAOJVFQJT-HDICACEKSA-N 1 3 323.525 2.294 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CCC2CCOCC2)CC1 ZINC000336875371 524657041 /nfs/dbraw/zinc/65/70/41/524657041.db2.gz FVFMEPAOJVFQJT-HDICACEKSA-N 1 3 323.525 2.294 20 0 DEADHO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000249025145 524850375 /nfs/dbraw/zinc/85/03/75/524850375.db2.gz LIPFRDVJLLNOIU-MELADBBJSA-N 1 3 309.479 2.060 20 0 DEADHO O=C(N[C@H]1CCC[NH2+]CC1)c1cccc(CN2CCCC2)c1 ZINC000364163411 527029836 /nfs/dbraw/zinc/02/98/36/527029836.db2.gz XVCNKYQRDLCGBJ-KRWDZBQOSA-N 1 3 301.434 2.154 20 0 DEADHO CC(C)CC[NH+]1CCC(CNC(=O)N2C[C@H](C)NC[C@@H]2C)CC1 ZINC000417857803 527723090 /nfs/dbraw/zinc/72/30/90/527723090.db2.gz YHBKTVAUPZEYDH-HOTGVXAUSA-N 1 3 324.513 2.136 20 0 DEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](N)c2ccccc2)C[C@H]1C ZINC000418433151 527822778 /nfs/dbraw/zinc/82/27/78/527822778.db2.gz UBMFKQAGJMYHGF-HYVNUMGLSA-N 1 3 318.465 2.201 20 0 DEADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](N)c2ccccc2)C[C@H]1C ZINC000418433151 527822783 /nfs/dbraw/zinc/82/27/83/527822783.db2.gz UBMFKQAGJMYHGF-HYVNUMGLSA-N 1 3 318.465 2.201 20 0 DEADHO CC(C)OC1CC(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000189547090 527878679 /nfs/dbraw/zinc/87/86/79/527878679.db2.gz UTDYYPCNSWMNCY-ZGUYJTEBSA-N 1 3 310.482 2.300 20 0 DEADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418427528 528082301 /nfs/dbraw/zinc/08/23/01/528082301.db2.gz OFBZDFVZFGWABL-IAGOWNOFSA-N 1 3 324.513 2.411 20 0 DEADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000447953768 528257953 /nfs/dbraw/zinc/25/79/53/528257953.db2.gz JRCSGCNARNRWEK-CVEARBPZSA-N 1 3 324.513 2.138 20 0 DEADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000447953768 528257957 /nfs/dbraw/zinc/25/79/57/528257957.db2.gz JRCSGCNARNRWEK-CVEARBPZSA-N 1 3 324.513 2.138 20 0 DEADHO CC(C)N1CC[C@H](N(C)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000418386871 529076794 /nfs/dbraw/zinc/07/67/94/529076794.db2.gz QRSXUUGSDMDUOJ-HOTGVXAUSA-N 1 3 310.486 2.018 20 0 DEADHO CCN1CCN(Cc2ccc(CN[C@@H](C)C[C@@H](C)[NH3+])cc2)CC1 ZINC000422896319 529148827 /nfs/dbraw/zinc/14/88/27/529148827.db2.gz XQTDTTDNTNNYQR-SJORKVTESA-N 1 3 318.509 2.040 20 0 DEADHO CC[C@@H](NCC1(CN2CCOCC2)CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422845474 529157649 /nfs/dbraw/zinc/15/76/49/529157649.db2.gz BVTKTDRVFBVWQV-MSOLQXFVSA-N 1 3 323.525 2.389 20 0 DEADHO CC[C@@H](C(=O)N(CCCc1ccccc1)CC[NH+](C)C)N(C)C ZINC000413259702 529273705 /nfs/dbraw/zinc/27/37/05/529273705.db2.gz QPGVWRGNROLKEQ-SFHVURJKSA-N 1 3 319.493 2.350 20 0 DEADHO CC[C@@H](C(=O)Nc1ccc(OC)cc1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443069672 529292046 /nfs/dbraw/zinc/29/20/46/529292046.db2.gz KGHWULPFWLRPQD-YOEHRIQHSA-N 1 3 319.449 2.473 20 0 DEADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448011759 529342232 /nfs/dbraw/zinc/34/22/32/529342232.db2.gz QOBVIQNSCJFSJR-CABCVRRESA-N 1 3 312.502 2.136 20 0 DEADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448011759 529342233 /nfs/dbraw/zinc/34/22/33/529342233.db2.gz QOBVIQNSCJFSJR-CABCVRRESA-N 1 3 312.502 2.136 20 0 DEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](OCC3CC3)C2)CC1 ZINC000374299483 535200051 /nfs/dbraw/zinc/20/00/51/535200051.db2.gz WFOXTKMJHJBFED-IBGZPJMESA-N 1 3 323.525 2.294 20 0 DEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](OCC3CC3)C2)CC1 ZINC000374299483 535200056 /nfs/dbraw/zinc/20/00/56/535200056.db2.gz WFOXTKMJHJBFED-IBGZPJMESA-N 1 3 323.525 2.294 20 0 DEADHO CCN1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000449818352 535534980 /nfs/dbraw/zinc/53/49/80/535534980.db2.gz DRCCWCNGIIVAPB-WBVHZDCISA-N 1 3 307.482 2.384 20 0 DEADHO CCN1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000449818352 535534981 /nfs/dbraw/zinc/53/49/81/535534981.db2.gz DRCCWCNGIIVAPB-WBVHZDCISA-N 1 3 307.482 2.384 20 0 DEADHO CCN1CCN(CCCC[NH2+]Cc2cc(F)cc(OC)c2)CC1 ZINC000449078617 535695077 /nfs/dbraw/zinc/69/50/77/535695077.db2.gz MFRSCASXVXTCNP-UHFFFAOYSA-N 1 3 323.456 2.342 20 0 DEADHO CC[N@H+](CCC1CCN(C(=O)/C=C\CN(C)C)CC1)CC1CC1 ZINC000492362024 535713404 /nfs/dbraw/zinc/71/34/04/535713404.db2.gz FLHNQECVAUKGBM-WAYWQWQTSA-N 1 3 321.509 2.465 20 0 DEADHO CC[N@@H+](CCC1CCN(C(=O)/C=C\CN(C)C)CC1)CC1CC1 ZINC000492362024 535713409 /nfs/dbraw/zinc/71/34/09/535713409.db2.gz FLHNQECVAUKGBM-WAYWQWQTSA-N 1 3 321.509 2.465 20 0 DEADHO CN(C)CCN(C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1 ZINC000377816051 535845059 /nfs/dbraw/zinc/84/50/59/535845059.db2.gz BRLMMSOMGKPROM-ZWKOTPCHSA-N 1 3 315.461 2.217 20 0 DEADHO CC[C@H](C)[C@@H](N)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000263001515 535850331 /nfs/dbraw/zinc/85/03/31/535850331.db2.gz PWHHETBPQVXUHB-QPUJVOFHSA-N 1 3 303.328 2.476 20 0 DEADHO CN(C)Cc1cccc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)c1 ZINC000357856156 536021651 /nfs/dbraw/zinc/02/16/51/536021651.db2.gz JXFJCZFSXFCUFD-UHFFFAOYSA-N 1 3 315.461 2.354 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NCCC1CC[NH+](C)CC1 ZINC000362728293 536043705 /nfs/dbraw/zinc/04/37/05/536043705.db2.gz YSUXTPTVUIVPDE-UHFFFAOYSA-N 1 3 303.450 2.210 20 0 DEADHO CN(C)Cc1ccccc1CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000263145493 536046572 /nfs/dbraw/zinc/04/65/72/536046572.db2.gz CRMCWMRYQTZEDZ-SJLPKXTDSA-N 1 3 303.450 2.272 20 0 DEADHO CN1CCC(CC(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000347047603 536335275 /nfs/dbraw/zinc/33/52/75/536335275.db2.gz UWOXTNNPEGIVPL-UHFFFAOYSA-N 1 3 307.482 2.195 20 0 DEADHO C[NH2+][C@@H](C)Cc1noc(-c2cccc(CN3CCCC3)c2)n1 ZINC000261874337 536346645 /nfs/dbraw/zinc/34/66/45/536346645.db2.gz VNJXNHBMELSYRO-ZDUSSCGKSA-N 1 3 300.406 2.483 20 0 DEADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000449097639 536408813 /nfs/dbraw/zinc/40/88/13/536408813.db2.gz FFJFCRRXGWXOEA-IAGOWNOFSA-N 1 3 319.493 2.300 20 0 DEADHO COCCOc1cccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000346835561 536708300 /nfs/dbraw/zinc/70/83/00/536708300.db2.gz TYGZGSQWMVNOBS-RYQLBKOJSA-N 1 3 304.434 2.271 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001368784479 1148656166 /nfs/dbraw/zinc/65/61/66/1148656166.db2.gz JCTUDBKSDSWCRN-CABCVRRESA-N 1 3 301.450 2.045 20 0 DEADHO C[C@H](C[NH2+]Cc1ccsc1)NC(=O)CN(C)CC(C)(C)C ZINC001379413731 1152620899 /nfs/dbraw/zinc/62/08/99/1152620899.db2.gz DWKVKGJCUGZUCR-CYBMUJFWSA-N 1 3 311.495 2.320 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2)[C@H]1C ZINC001379561406 1152643400 /nfs/dbraw/zinc/64/34/00/1152643400.db2.gz APXQRKMVFKIVAY-PBHICJAKSA-N 1 3 321.440 2.247 20 0 DEADHO CC[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccc(C)cc2)C1)N(C)C ZINC001368823189 1148692116 /nfs/dbraw/zinc/69/21/16/1148692116.db2.gz RFEANOSHXMOGRF-ABHNRTSZSA-N 1 3 317.477 2.320 20 0 DEADHO C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC001369436585 1148986114 /nfs/dbraw/zinc/98/61/14/1148986114.db2.gz LTKBQWXWKSESSX-UKRRQHHQSA-N 1 3 313.461 2.045 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CCC3CC3)C2)CC1 ZINC000972610273 625353994 /nfs/dbraw/zinc/35/39/94/625353994.db2.gz LSACKQJVHSSEBG-QGZVFWFLSA-N 1 3 307.482 2.051 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CCC3CC3)C2)CC1 ZINC000972610273 625353999 /nfs/dbraw/zinc/35/39/99/625353999.db2.gz LSACKQJVHSSEBG-QGZVFWFLSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[NH+](CCC)CCCNC(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000892731134 625501705 /nfs/dbraw/zinc/50/17/05/625501705.db2.gz ARUCPTKPSVYMER-DLBZAZTESA-N 1 3 324.513 2.377 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1CCC([NH2+]CC2CCCC2)CC1 ZINC001026598837 625554954 /nfs/dbraw/zinc/55/49/54/625554954.db2.gz XBGHUSQTMCXGOM-UHFFFAOYSA-N 1 3 318.465 2.468 20 0 DEADHO CN(C)Cc1ccccc1C(=O)NC1CCC([NH2+]CCF)CC1 ZINC001026610104 625562820 /nfs/dbraw/zinc/56/28/20/625562820.db2.gz CTCILGILEQQKJI-UHFFFAOYSA-N 1 3 321.440 2.348 20 0 DEADHO N[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)C12CCC2 ZINC000925663841 625570335 /nfs/dbraw/zinc/57/03/35/625570335.db2.gz AQACJHZXDMAFPA-ARFHVFGLSA-N 1 3 314.433 2.152 20 0 DEADHO CC1(C)C[C@@H](N[C@H]2CCCN(C(=O)N3CCCC3)C2)C[C@@H]([NH3+])C1 ZINC000925669346 625585984 /nfs/dbraw/zinc/58/59/84/625585984.db2.gz ATFOGYRIBGKRTA-PMPSAXMXSA-N 1 3 322.497 2.162 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CCCCCCO)CC1 ZINC000175755824 622758782 /nfs/dbraw/zinc/75/87/82/622758782.db2.gz RHCOFCGZWHNOQM-HDICACEKSA-N 1 3 311.514 2.030 20 0 DEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CCCCCCO)CC1 ZINC000175755824 622758786 /nfs/dbraw/zinc/75/87/86/622758786.db2.gz RHCOFCGZWHNOQM-HDICACEKSA-N 1 3 311.514 2.030 20 0 DEADHO CCCN1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCC(C)C)C1 ZINC000969792436 622923007 /nfs/dbraw/zinc/92/30/07/622923007.db2.gz JEXYPCVHZUEMBY-RDJZCZTQSA-N 1 3 309.498 2.343 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001020588517 622926863 /nfs/dbraw/zinc/92/68/63/622926863.db2.gz DJGZDWBQZRISHN-XIRDDKMYSA-N 1 3 305.466 2.065 20 0 DEADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001020590380 622927962 /nfs/dbraw/zinc/92/79/62/622927962.db2.gz UQGRFUZRCYQYDI-XIRDDKMYSA-N 1 3 307.482 2.145 20 0 DEADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC3CCCC3)C2)C1 ZINC001020591448 622930701 /nfs/dbraw/zinc/93/07/01/622930701.db2.gz NYNBUTITCATLMB-WKILWMFISA-N 1 3 307.482 2.145 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001020981198 623235750 /nfs/dbraw/zinc/23/57/50/623235750.db2.gz ARBREUTXVMJGSD-RCBQFDQVSA-N 1 3 312.417 2.259 20 0 DEADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccncc1CO ZINC000892820659 625634448 /nfs/dbraw/zinc/63/44/48/625634448.db2.gz RDTARLJMQODUEU-MAUKXSAKSA-N 1 3 311.429 2.318 20 0 DEADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccncc1CO ZINC000892820659 625634453 /nfs/dbraw/zinc/63/44/53/625634453.db2.gz RDTARLJMQODUEU-MAUKXSAKSA-N 1 3 311.429 2.318 20 0 DEADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CC2)C1 ZINC001021091823 623336502 /nfs/dbraw/zinc/33/65/02/623336502.db2.gz XMOXDSZZJQGZPY-QAQDUYKDSA-N 1 3 315.461 2.399 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1 ZINC001021096270 623345600 /nfs/dbraw/zinc/34/56/00/623345600.db2.gz LLCSQRHHKGUZCX-BZUAXINKSA-N 1 3 321.490 2.359 20 0 DEADHO C[C@@H]1C[C@H](Nc2ccncc2CO)CC[N@@H+]1Cc1ccccc1 ZINC000892845215 625660425 /nfs/dbraw/zinc/66/04/25/625660425.db2.gz AZGFIGAUVOTIQV-CRAIPNDOSA-N 1 3 311.429 2.461 20 0 DEADHO C[C@@H]1C[C@H](Nc2ccncc2CO)CC[N@H+]1Cc1ccccc1 ZINC000892845215 625660428 /nfs/dbraw/zinc/66/04/28/625660428.db2.gz AZGFIGAUVOTIQV-CRAIPNDOSA-N 1 3 311.429 2.461 20 0 DEADHO CC1CCN(CC(=O)N2CCC[C@@H](C[NH2+]CC3CCC3)C2)CC1 ZINC001024211574 625666056 /nfs/dbraw/zinc/66/60/56/625666056.db2.gz DBEBCDBTIWIBJN-SFHVURJKSA-N 1 3 321.509 2.347 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021679714 623947039 /nfs/dbraw/zinc/94/70/39/623947039.db2.gz RGBMVABFFIHWNA-WBVHZDCISA-N 1 3 318.465 2.311 20 0 DEADHO CC(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021679714 623947043 /nfs/dbraw/zinc/94/70/43/623947043.db2.gz RGBMVABFFIHWNA-WBVHZDCISA-N 1 3 318.465 2.311 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CC2CCCCC2)C1 ZINC000971200816 624068480 /nfs/dbraw/zinc/06/84/80/624068480.db2.gz JHOLLQBCSVIQDP-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CC2CCCCC2)C1 ZINC000971200816 624068482 /nfs/dbraw/zinc/06/84/82/624068482.db2.gz JHOLLQBCSVIQDP-DLBZAZTESA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC2CCCCC2)C1)C1CC1 ZINC000971676669 624500245 /nfs/dbraw/zinc/50/02/45/624500245.db2.gz GLNGGTADARLLMX-ZWKOTPCHSA-N 1 3 321.509 2.440 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC2CCCCC2)C1)C1CC1 ZINC000971676669 624500247 /nfs/dbraw/zinc/50/02/47/624500247.db2.gz GLNGGTADARLLMX-ZWKOTPCHSA-N 1 3 321.509 2.440 20 0 DEADHO OCc1cnccc1NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000892078346 624773342 /nfs/dbraw/zinc/77/33/42/624773342.db2.gz LFWJOKBKLAVKKK-KRWDZBQOSA-N 1 3 311.429 2.320 20 0 DEADHO OCc1cnccc1NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000892078346 624773350 /nfs/dbraw/zinc/77/33/50/624773350.db2.gz LFWJOKBKLAVKKK-KRWDZBQOSA-N 1 3 311.429 2.320 20 0 DEADHO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@@H]2C)C1)c1ccccc1 ZINC001022711610 624863948 /nfs/dbraw/zinc/86/39/48/624863948.db2.gz BZNGZRULYHEAEQ-UOVPBQLFSA-N 1 3 315.461 2.469 20 0 DEADHO C[C@H]([NH2+][C@@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1)c1ccccc1 ZINC001022713279 624865709 /nfs/dbraw/zinc/86/57/09/624865709.db2.gz JTBGAJMCPMZOEY-UOVPBQLFSA-N 1 3 315.461 2.326 20 0 DEADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001022714471 624867686 /nfs/dbraw/zinc/86/76/86/624867686.db2.gz VMJVILPEAMPNPO-OIISXLGYSA-N 1 3 307.482 2.145 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC000972333604 624932273 /nfs/dbraw/zinc/93/22/73/624932273.db2.gz YASUEOJMDOTGQK-DOTOQJQBSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC000972333604 624932275 /nfs/dbraw/zinc/93/22/75/624932275.db2.gz YASUEOJMDOTGQK-DOTOQJQBSA-N 1 3 321.509 2.440 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([N@H+](C)CCC3CCCC3)C2)C1 ZINC000972336244 624933165 /nfs/dbraw/zinc/93/31/65/624933165.db2.gz VDHCKRDACFENLD-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CCC3CCCC3)C2)C1 ZINC000972336244 624933168 /nfs/dbraw/zinc/93/31/68/624933168.db2.gz VDHCKRDACFENLD-AEFFLSMTSA-N 1 3 321.509 2.441 20 0 DEADHO CN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CCCN(C)C1 ZINC000893065905 625088025 /nfs/dbraw/zinc/08/80/25/625088025.db2.gz PUBLSEPXNMTHOI-HUUCEWRRSA-N 1 3 312.502 2.088 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001023024942 625138261 /nfs/dbraw/zinc/13/82/61/625138261.db2.gz NOMSKACPUGQJNU-IYBDPMFKSA-N 1 3 316.449 2.388 20 0 DEADHO CCN1CCN([C@@H](C)C[NH2+]Cc2c(C)nn(C(C)C)c2C)CC1 ZINC000892575024 625162562 /nfs/dbraw/zinc/16/25/62/625162562.db2.gz POMPIUQNEPARAW-HNNXBMFYSA-N 1 3 321.513 2.196 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCC2CCCC2)C1)C1CC1 ZINC000999373836 634570771 /nfs/dbraw/zinc/57/07/71/634570771.db2.gz RJAXAOFIFNKUSZ-MSOLQXFVSA-N 1 3 321.509 2.488 20 0 DEADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1)C1CC1 ZINC000999374963 634571607 /nfs/dbraw/zinc/57/16/07/634571607.db2.gz SPEOQCCXTFWAKD-MSOLQXFVSA-N 1 3 315.461 2.107 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccsc2)C1)N(C)C ZINC000999418954 634585099 /nfs/dbraw/zinc/58/50/99/634585099.db2.gz CRISCPROSMUXRS-CVEARBPZSA-N 1 3 323.506 2.415 20 0 DEADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccsc2)C1)N(C)C ZINC001000109462 634749185 /nfs/dbraw/zinc/74/91/85/634749185.db2.gz CRISCPROSMUXRS-HZPDHXFCSA-N 1 3 323.506 2.415 20 0 DEADHO CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCCN3C(C)C)CC2)CC1 ZINC001000148159 634769342 /nfs/dbraw/zinc/76/93/42/634769342.db2.gz CITPWGNIOPRLME-INIZCTEOSA-N 1 3 307.482 2.240 20 0 DEADHO CC1(C)CCN(CC(=O)N2CCC[C@H]([NH2+]CCC3CC3)C2)C1 ZINC001000196628 634784833 /nfs/dbraw/zinc/78/48/33/634784833.db2.gz FVEDSNPPOFELSH-INIZCTEOSA-N 1 3 307.482 2.099 20 0 DEADHO CC1CC(C[NH2+][C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001000196872 634786236 /nfs/dbraw/zinc/78/62/36/634786236.db2.gz HHEJOZOMXKCFGJ-JCYILVPMSA-N 1 3 321.509 2.345 20 0 DEADHO CCC[NH2+][C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001000210090 634794712 /nfs/dbraw/zinc/79/47/12/634794712.db2.gz QNLPVYLTOOPNLB-RHSMWYFYSA-N 1 3 313.461 2.190 20 0 DEADHO C[C@H](C(=O)N1C[C@@H](NCCF)C(C)(C)C1)[NH+]1CCCCCC1 ZINC000996381761 633251093 /nfs/dbraw/zinc/25/10/93/633251093.db2.gz YKUHXALLNGDWKZ-HUUCEWRRSA-N 1 3 313.461 2.047 20 0 DEADHO CC1CC(C[NH2+]C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC000996666045 633341567 /nfs/dbraw/zinc/34/15/67/633341567.db2.gz OLZHXODCVBXCPE-UHFFFAOYSA-N 1 3 307.482 2.097 20 0 DEADHO C[NH+](C)CCCCCCCNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000734272861 633348974 /nfs/dbraw/zinc/34/89/74/633348974.db2.gz UZLITEOUSPYKLP-HNNXBMFYSA-N 1 3 310.486 2.034 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001027063501 633385495 /nfs/dbraw/zinc/38/54/95/633385495.db2.gz MLFHMBOYSIZURY-HUUCEWRRSA-N 1 3 321.490 2.171 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001027069735 633418768 /nfs/dbraw/zinc/41/87/68/633418768.db2.gz AHAXKUMYDZBWRO-WBVHZDCISA-N 1 3 321.440 2.104 20 0 DEADHO Cc1cc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)cs1 ZINC001027217576 633500319 /nfs/dbraw/zinc/50/03/19/633500319.db2.gz MCWCJPLRQGTGTB-OAHLLOKOSA-N 1 3 321.490 2.090 20 0 DEADHO CC(C)[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001027235951 633506489 /nfs/dbraw/zinc/50/64/89/633506489.db2.gz YYIDGKKNDWQXJI-HNNXBMFYSA-N 1 3 303.450 2.208 20 0 DEADHO CC1CC(C[NH2+]C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC000997000262 633557811 /nfs/dbraw/zinc/55/78/11/633557811.db2.gz OQIFUBATSQMPJS-PCKAHOCUSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]CC3CC(C)(C)C3)CC2)C1 ZINC000997007836 633560678 /nfs/dbraw/zinc/56/06/78/633560678.db2.gz QUXXYMHGGQWWSZ-HNNXBMFYSA-N 1 3 321.509 2.345 20 0 DEADHO CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@H](n2cccn2)C(F)(F)F)C1 ZINC000925724528 633695288 /nfs/dbraw/zinc/69/52/88/633695288.db2.gz ZLDNJDMNXXOLDU-UTUOFQBUSA-N 1 3 304.360 2.482 20 0 DEADHO C[C@H]([NH2+]C1CCN(C(=O)CN2CCCC2)CC1)c1ccccc1 ZINC000997307380 633704633 /nfs/dbraw/zinc/70/46/33/633704633.db2.gz PHUOEZXLHPKNAO-INIZCTEOSA-N 1 3 315.461 2.424 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]CCC2CC2)CC1 ZINC000997367317 633717458 /nfs/dbraw/zinc/71/74/58/633717458.db2.gz ZGNQUQOLDQOMIT-KRWDZBQOSA-N 1 3 307.482 2.242 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC)CC1(C)C ZINC000977455354 633994305 /nfs/dbraw/zinc/99/43/05/633994305.db2.gz YPAKHYYCSAIQLO-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC)CC1(C)C ZINC000977455354 633994310 /nfs/dbraw/zinc/99/43/10/633994310.db2.gz YPAKHYYCSAIQLO-JKSUJKDBSA-N 1 3 309.498 2.488 20 0 DEADHO CC1CC(C[NH2+]CC2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC000997830372 634003138 /nfs/dbraw/zinc/00/31/38/634003138.db2.gz JCTGEMWEFPHNJF-UHFFFAOYSA-N 1 3 321.509 2.345 20 0 DEADHO O=C(CN1CCCC1)N1CCC(C[NH2+]Cc2ccsc2)CC1 ZINC000998270549 634195061 /nfs/dbraw/zinc/19/50/61/634195061.db2.gz UPOXQFKUPVFJGC-UHFFFAOYSA-N 1 3 321.490 2.172 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC(C)C)C[C@H]21 ZINC000978224810 634253345 /nfs/dbraw/zinc/25/33/45/634253345.db2.gz AOGKUQKPHNBRCF-FJIDUMEYSA-N 1 3 321.509 2.201 20 0 DEADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCC(C)C)C[C@H]21 ZINC000978224810 634253346 /nfs/dbraw/zinc/25/33/46/634253346.db2.gz AOGKUQKPHNBRCF-FJIDUMEYSA-N 1 3 321.509 2.201 20 0 DEADHO C[C@H]1C[C@@H](C[NH2+]CC2CCC2)CN1C(=O)CN(C)C1CCC1 ZINC000980608042 635061706 /nfs/dbraw/zinc/06/17/06/635061706.db2.gz YLWWGHOQIJFEES-HOCLYGCPSA-N 1 3 307.482 2.097 20 0 DEADHO CCCN1CCC([NH2+]Cc2ccccc2N2CCOCC2)CC1 ZINC000066970484 635185710 /nfs/dbraw/zinc/18/57/10/635185710.db2.gz KFQPYYJSGOUBIS-UHFFFAOYSA-N 1 3 317.477 2.487 20 0 DEADHO CC[C@@H](C)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC000981143954 635330140 /nfs/dbraw/zinc/33/01/40/635330140.db2.gz XGBYWBQLXDVWAP-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CC[C@@H](C)C[N@H+]1CCCN(C(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC000981143954 635330144 /nfs/dbraw/zinc/33/01/44/635330144.db2.gz XGBYWBQLXDVWAP-SJORKVTESA-N 1 3 309.498 2.440 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC1=CC[N@H+](CC2CCC2)CC1 ZINC001001471151 635503193 /nfs/dbraw/zinc/50/31/93/635503193.db2.gz FMYKIJZZIGCJGU-SFHVURJKSA-N 1 3 319.493 2.409 20 0 DEADHO CCN1CCCC[C@H]1C(=O)NCC1=CC[N@@H+](CC2CCC2)CC1 ZINC001001471151 635503195 /nfs/dbraw/zinc/50/31/95/635503195.db2.gz FMYKIJZZIGCJGU-SFHVURJKSA-N 1 3 319.493 2.409 20 0 DEADHO CC(C)[NH+]1CCC(O)(CNCc2cnn(CC3CCC3)c2)CC1 ZINC000921843250 635539996 /nfs/dbraw/zinc/53/99/96/635539996.db2.gz SPCTYDSZUXNJNC-UHFFFAOYSA-N 1 3 320.481 2.008 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](C(C)C)C[C@]2(C)C1 ZINC000982275781 635935681 /nfs/dbraw/zinc/93/56/81/635935681.db2.gz JSVOFHWKBSLUAS-YTQUADARSA-N 1 3 321.509 2.438 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](C(C)C)C[C@]2(C)C1 ZINC000982275781 635935683 /nfs/dbraw/zinc/93/56/83/635935683.db2.gz JSVOFHWKBSLUAS-YTQUADARSA-N 1 3 321.509 2.438 20 0 DEADHO CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C3(N(C)C)CCC3)C[C@@]2(C)C1 ZINC000982296436 635954891 /nfs/dbraw/zinc/95/48/91/635954891.db2.gz SGWLBDKSUOCUNQ-CALCHBBNSA-N 1 3 307.482 2.051 20 0 DEADHO CCC[N@H+]1C[C@@]2(C)CN(C(=O)C3(N(C)C)CCC3)C[C@@]2(C)C1 ZINC000982296436 635954893 /nfs/dbraw/zinc/95/48/93/635954893.db2.gz SGWLBDKSUOCUNQ-CALCHBBNSA-N 1 3 307.482 2.051 20 0 DEADHO C[N@H+](CCCCNCc1nc(Br)c[nH]1)C1CC1 ZINC000922169979 635958198 /nfs/dbraw/zinc/95/81/98/635958198.db2.gz CDFMQDWCKJFNQO-UHFFFAOYSA-N 1 3 301.232 2.136 20 0 DEADHO C[N@@H+](CCCCNCc1nc(Br)c[nH]1)C1CC1 ZINC000922169979 635958205 /nfs/dbraw/zinc/95/82/05/635958205.db2.gz CDFMQDWCKJFNQO-UHFFFAOYSA-N 1 3 301.232 2.136 20 0 DEADHO Cc1ccnc(-c2n[nH]c([C@H](C)NCC3CC[NH+](C)CC3)n2)c1 ZINC000894102288 636133018 /nfs/dbraw/zinc/13/30/18/636133018.db2.gz VUXZVPSSZDEQDG-ZDUSSCGKSA-N 1 3 314.437 2.168 20 0 DEADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1ccccc1F)C2 ZINC000922389647 636150599 /nfs/dbraw/zinc/15/05/99/636150599.db2.gz VKALYUWTHJCNRS-BDXSIMOUSA-N 1 3 306.425 2.395 20 0 DEADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1ccccc1F)C2 ZINC000922389647 636150603 /nfs/dbraw/zinc/15/06/03/636150603.db2.gz VKALYUWTHJCNRS-BDXSIMOUSA-N 1 3 306.425 2.395 20 0 DEADHO COc1ncncc1CNC1CCC(C)([NH+]2CCCC2)CC1 ZINC000922505471 636208843 /nfs/dbraw/zinc/20/88/43/636208843.db2.gz RWRDEVIXUXAVIR-UHFFFAOYSA-N 1 3 304.438 2.372 20 0 DEADHO CC[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]2C1 ZINC000946592612 636325112 /nfs/dbraw/zinc/32/51/12/636325112.db2.gz STDGQJBUQFVWEV-CALCHBBNSA-N 1 3 321.509 2.441 20 0 DEADHO CC[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]2C1 ZINC000946592612 636325119 /nfs/dbraw/zinc/32/51/19/636325119.db2.gz STDGQJBUQFVWEV-CALCHBBNSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001004373002 636400403 /nfs/dbraw/zinc/40/04/03/636400403.db2.gz TZTFDFGYRPADLP-ROUUACIJSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001004373002 636400410 /nfs/dbraw/zinc/40/04/10/636400410.db2.gz TZTFDFGYRPADLP-ROUUACIJSA-N 1 3 321.509 2.440 20 0 DEADHO CC(C)=CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)CC[C@@H]2C1 ZINC000946800737 636661223 /nfs/dbraw/zinc/66/12/23/636661223.db2.gz JIAZXWIQVUWSCK-IYBDPMFKSA-N 1 3 316.449 2.089 20 0 DEADHO CC(C)=CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)CC[C@@H]2C1 ZINC000946800737 636661227 /nfs/dbraw/zinc/66/12/27/636661227.db2.gz JIAZXWIQVUWSCK-IYBDPMFKSA-N 1 3 316.449 2.089 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCCF)C1 ZINC001028845083 636782906 /nfs/dbraw/zinc/78/29/06/636782906.db2.gz FSLKAXHEHDUXPN-CVEARBPZSA-N 1 3 313.461 2.047 20 0 DEADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCCF)C1 ZINC001028845083 636782908 /nfs/dbraw/zinc/78/29/08/636782908.db2.gz FSLKAXHEHDUXPN-CVEARBPZSA-N 1 3 313.461 2.047 20 0 DEADHO O[C@H]1C[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C12CCOCC2 ZINC000923020491 636913982 /nfs/dbraw/zinc/91/39/82/636913982.db2.gz MQLQTYZSIGYSEI-MSOLQXFVSA-N 1 3 322.493 2.303 20 0 DEADHO O[C@H]1C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C12CCOCC2 ZINC000923020491 636913986 /nfs/dbraw/zinc/91/39/86/636913986.db2.gz MQLQTYZSIGYSEI-MSOLQXFVSA-N 1 3 322.493 2.303 20 0 DEADHO C[C@H]([NH2+]CC1CCCC1)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001029065919 637025221 /nfs/dbraw/zinc/02/52/21/637025221.db2.gz NBKYKRZOOZRVBU-MAUKXSAKSA-N 1 3 321.509 2.488 20 0 DEADHO [NH3+][C@@H]1CCC[C@@H]2CN(C[C@H](O)COc3ccccc3Cl)C[C@H]21 ZINC000923331254 637116730 /nfs/dbraw/zinc/11/67/30/637116730.db2.gz FGHVNFHVYXAZDC-HLPPOEQASA-N 1 3 324.852 2.139 20 0 DEADHO Cc1ccc(C)c(OC[C@H](O)CN2CCCC[C@H]2CC[NH3+])c1 ZINC000923352252 637133645 /nfs/dbraw/zinc/13/36/45/637133645.db2.gz CKYJRJXRKFZYDV-DLBZAZTESA-N 1 3 306.450 2.246 20 0 DEADHO C[C@@H]1CCCN(C[C@@H](O)COc2ccccc2F)[C@@H]1CC[NH3+] ZINC000923389363 637156171 /nfs/dbraw/zinc/15/61/71/637156171.db2.gz WUNVPJWYPPIYMC-IIAWOOMASA-N 1 3 310.413 2.015 20 0 DEADHO CC(C)(C)[C@]1(C[NH3+])CCN(C[C@@H](O)COc2ccccc2)C1 ZINC000923416774 637162081 /nfs/dbraw/zinc/16/20/81/637162081.db2.gz ZKLKPVPWCDHBBB-QAPCUYQASA-N 1 3 306.450 2.123 20 0 DEADHO C[NH+]1CCC(CN2C[C@@H](c3ccccc3)[C@](F)(CO)C2)CC1 ZINC000894688035 637164452 /nfs/dbraw/zinc/16/44/52/637164452.db2.gz LRAUSTFFIIVIJD-ZWKOTPCHSA-N 1 3 306.425 2.128 20 0 DEADHO CCc1onc(C)c1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000923410672 637165662 /nfs/dbraw/zinc/16/56/62/637165662.db2.gz OIABLTNITLSKCJ-OAHLLOKOSA-N 1 3 307.438 2.136 20 0 DEADHO Fc1cccc(F)c1[C@@H]1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923427229 637172218 /nfs/dbraw/zinc/17/22/18/637172218.db2.gz IPILUQNOGBEIDO-CHWSQXEVSA-N 1 3 308.372 2.133 20 0 DEADHO CSc1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)o1 ZINC000894765757 637202444 /nfs/dbraw/zinc/20/24/44/637202444.db2.gz MUOKURGLTSDXMH-UHFFFAOYSA-N 1 3 311.495 2.459 20 0 DEADHO [NH3+]CC[C@H]1CCN(C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000923480011 637202842 /nfs/dbraw/zinc/20/28/42/637202842.db2.gz TYVJZVSWDIOHQX-SMDDNHRTSA-N 1 3 302.340 2.410 20 0 DEADHO Cc1ccc([C@@H](NC(=O)CN2CC[C@@H](CC[NH3+])C2)C2CC2)cc1 ZINC000923484913 637205247 /nfs/dbraw/zinc/20/52/47/637205247.db2.gz CUHXCLLGLWUTJK-DNVCBOLYSA-N 1 3 315.461 2.233 20 0 DEADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1C[C@@H](C[NH2+]CC2CC(C)C2)C1 ZINC000983661061 637207316 /nfs/dbraw/zinc/20/73/16/637207316.db2.gz LHFISGNULYYKDL-CNFALQKSSA-N 1 3 321.509 2.390 20 0 DEADHO CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CC[C@H](CC[NH3+])C1 ZINC000923489526 637208540 /nfs/dbraw/zinc/20/85/40/637208540.db2.gz YJBIQOZDQDVHOQ-XJKSGUPXSA-N 1 3 305.422 2.083 20 0 DEADHO C[C@@H]1CN([C@H]2CCN(c3cccc(Cl)c3)C2=O)CC[C@@H]1C[NH3+] ZINC000923501040 637217284 /nfs/dbraw/zinc/21/72/84/637217284.db2.gz YUSDUVIMHULOQY-IOASZLSFSA-N 1 3 321.852 2.362 20 0 DEADHO CC1CCN(C(=O)CN2CCC([C@H]3CCC[NH2+]CC3)CC2)CC1 ZINC000923504018 637218566 /nfs/dbraw/zinc/21/85/66/637218566.db2.gz SGLMLQJIQQXKER-KRWDZBQOSA-N 1 3 321.509 2.347 20 0 DEADHO CC[C@H](C(=O)N1CCC([C@H](C)[NH2+]CC2CCC2)CC1)N(C)C ZINC001029111406 637245667 /nfs/dbraw/zinc/24/56/67/637245667.db2.gz HLZPDXKZUCKZPD-WMLDXEAASA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]([NH2+]CC1CC1)C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001029145672 637276606 /nfs/dbraw/zinc/27/66/06/637276606.db2.gz CMFKCVAUUVTTRS-LSDHHAIUSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001029339364 637623832 /nfs/dbraw/zinc/62/38/32/637623832.db2.gz VOWIRFNLGWJNKU-ZACQAIPSSA-N 1 3 307.482 2.333 20 0 DEADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001029339364 637623836 /nfs/dbraw/zinc/62/38/36/637623836.db2.gz VOWIRFNLGWJNKU-ZACQAIPSSA-N 1 3 307.482 2.333 20 0 DEADHO COCOc1ccc(OC)cc1CNCC[C@@H]1CCC[N@H+](C)C1 ZINC000839180527 637811719 /nfs/dbraw/zinc/81/17/19/637811719.db2.gz DSBYNDUMDOTEFN-HNNXBMFYSA-N 1 3 322.449 2.499 20 0 DEADHO COCOc1ccc(OC)cc1CNCC[C@@H]1CCC[N@@H+](C)C1 ZINC000839180527 637811721 /nfs/dbraw/zinc/81/17/21/637811721.db2.gz DSBYNDUMDOTEFN-HNNXBMFYSA-N 1 3 322.449 2.499 20 0 DEADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(OC[C@@H]4CCCO4)cc3)C[C@@H]12 ZINC000262187306 637830011 /nfs/dbraw/zinc/83/00/11/637830011.db2.gz XSOMNULXELTLAM-QXCFHYIPSA-N 1 3 316.445 2.414 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)NCCN2CCCCC2)[C@@H]1c1ccccc1 ZINC000895732201 638163594 /nfs/dbraw/zinc/16/35/94/638163594.db2.gz GYWPVDNUUZZDOL-ROUUACIJSA-N 1 3 315.461 2.282 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)NCCN2CCCCC2)[C@@H]1c1ccccc1 ZINC000895732201 638163597 /nfs/dbraw/zinc/16/35/97/638163597.db2.gz GYWPVDNUUZZDOL-ROUUACIJSA-N 1 3 315.461 2.282 20 0 DEADHO CCC[NH+]1CCN(c2ccccc2CN2CC(COC)C2)CC1 ZINC000895971886 638290462 /nfs/dbraw/zinc/29/04/62/638290462.db2.gz WHYWOWYPPAYWGW-UHFFFAOYSA-N 1 3 317.477 2.297 20 0 DEADHO CN(C)CCN(C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000747585633 638452743 /nfs/dbraw/zinc/45/27/43/638452743.db2.gz QRILSCBSNKMNNG-UHFFFAOYSA-N 1 3 324.513 2.234 20 0 DEADHO C[C@@H]1CN(Cc2ccc3c(c2)CCC(=O)N3C)C[C@@]1(C)C[NH3+] ZINC000841090895 650428861 /nfs/dbraw/zinc/42/88/61/650428861.db2.gz PPRIWGRYJVRLNM-FZKQIMNGSA-N 1 3 301.434 2.012 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCCC2)C1 ZINC000985073099 639044182 /nfs/dbraw/zinc/04/41/82/639044182.db2.gz FLLCCIILRPUIMW-WKILWMFISA-N 1 3 318.465 2.325 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCC2)C1 ZINC000985150432 639083691 /nfs/dbraw/zinc/08/36/91/639083691.db2.gz RKEIKVOTBLOZKD-BRWVUGGUSA-N 1 3 307.482 2.145 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2)C1 ZINC001029673131 639410331 /nfs/dbraw/zinc/41/03/31/639410331.db2.gz WEGOOHZVDWDZKS-QZTJIDSGSA-N 1 3 315.461 2.061 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC001029673131 639410334 /nfs/dbraw/zinc/41/03/34/639410334.db2.gz WEGOOHZVDWDZKS-QZTJIDSGSA-N 1 3 315.461 2.061 20 0 DEADHO C[N@H+](CC1CC1)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000985646320 639559370 /nfs/dbraw/zinc/55/93/70/639559370.db2.gz JYURKPLLUAJZSI-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO C[N@@H+](CC1CC1)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000985646320 639559375 /nfs/dbraw/zinc/55/93/75/639559375.db2.gz JYURKPLLUAJZSI-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO C[N@H+](CC1CCCC1)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029903584 639753658 /nfs/dbraw/zinc/75/36/58/639753658.db2.gz AUEPOEYEWLTSFW-KRWDZBQOSA-N 1 3 307.482 2.053 20 0 DEADHO C[N@@H+](CC1CCCC1)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029903584 639753665 /nfs/dbraw/zinc/75/36/65/639753665.db2.gz AUEPOEYEWLTSFW-KRWDZBQOSA-N 1 3 307.482 2.053 20 0 DEADHO C[C@H]1[C@H]([NH2+]CCC2CCCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987059802 640072370 /nfs/dbraw/zinc/07/23/70/640072370.db2.gz SJGLUXMPFNNYMF-XJKSGUPXSA-N 1 3 304.438 2.112 20 0 DEADHO Cc1cc([C@H](N)CC(=O)NCCC[C@@H]2CCC[NH2+]2)cc(Cl)n1 ZINC000841853231 650580224 /nfs/dbraw/zinc/58/02/24/650580224.db2.gz YHZLBOGFFCNWLI-UONOGXRCSA-N 1 3 324.856 2.082 20 0 DEADHO CC[C@@](C)([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000841009397 640617326 /nfs/dbraw/zinc/61/73/26/640617326.db2.gz BXSKATOAVNQLJA-MAUKXSAKSA-N 1 3 303.450 2.099 20 0 DEADHO CC[NH+]1CCC(N[C@@H](CC(=O)OC)Cc2ccccc2)CC1 ZINC000898299690 641092591 /nfs/dbraw/zinc/09/25/91/641092591.db2.gz UNWZMEKRUKVDFW-QGZVFWFLSA-N 1 3 304.434 2.235 20 0 DEADHO COC(=O)C[C@H](Cc1ccccc1)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000898302861 641094473 /nfs/dbraw/zinc/09/44/73/641094473.db2.gz IQBHYKGFWWQLJW-UAGQMJEPSA-N 1 3 304.434 2.233 20 0 DEADHO COC(=O)C[C@H](Cc1ccccc1)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000898302861 641094478 /nfs/dbraw/zinc/09/44/78/641094478.db2.gz IQBHYKGFWWQLJW-UAGQMJEPSA-N 1 3 304.434 2.233 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)CN1C(=O)CN1CCCC1 ZINC000989798805 641236463 /nfs/dbraw/zinc/23/64/63/641236463.db2.gz GGJLQINLLXAVFR-GOEBONIOSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)CN1C(=O)CN1CCCC1 ZINC000989799343 641238063 /nfs/dbraw/zinc/23/80/63/641238063.db2.gz LMULYNNKAOHMDQ-NVXWUHKLSA-N 1 3 319.493 2.242 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000926904070 641461242 /nfs/dbraw/zinc/46/12/42/641461242.db2.gz DHZXLBGRKNWFEY-BMNJFWBPSA-N 1 3 306.372 2.416 20 0 DEADHO COc1ccc([C@H](NC(C)C)C(=O)NCC[C@H](C)[NH+](C)C)cc1 ZINC000898668799 641748349 /nfs/dbraw/zinc/74/83/49/641748349.db2.gz KKDMCNYOBMYINM-YOEHRIQHSA-N 1 3 321.465 2.191 20 0 DEADHO CN(C)Cc1ccc(-c2noc(CO[C@H]3CCC[NH2+]C3)n2)cc1 ZINC000842570907 650767333 /nfs/dbraw/zinc/76/73/33/650767333.db2.gz FVQOOZUVEXASLP-HNNXBMFYSA-N 1 3 316.405 2.067 20 0 DEADHO CC1(C)C[NH2+]CC[C@H](N[C@H]2CCCN(C(=O)N3CCCC3)C2)C1 ZINC000902384166 643024800 /nfs/dbraw/zinc/02/48/00/643024800.db2.gz IFDHYAXOARJBGC-HOTGVXAUSA-N 1 3 322.497 2.034 20 0 DEADHO CCN1CC[C@@H](C[NH2+][C@@H](C)C2(NC(=O)OC(C)(C)C)CC2)C1 ZINC000903073736 643247957 /nfs/dbraw/zinc/24/79/57/643247957.db2.gz QCRGPCFMTCBHMQ-KBPBESRZSA-N 1 3 311.470 2.364 20 0 DEADHO CO[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000903107094 643251081 /nfs/dbraw/zinc/25/10/81/643251081.db2.gz LNUIGEJLLHUSPU-OALUTQOASA-N 1 3 318.461 2.300 20 0 DEADHO C1C[C@H](NC2CC[NH+](C3CCCCC3)CC2)[C@]2(CCOC2)O1 ZINC000903105899 643251124 /nfs/dbraw/zinc/25/11/24/643251124.db2.gz VYKMTRYSYLESTN-ZWKOTPCHSA-N 1 3 308.466 2.321 20 0 DEADHO C1C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)[C@]2(CCOC2)O1 ZINC000903105899 643251126 /nfs/dbraw/zinc/25/11/26/643251126.db2.gz VYKMTRYSYLESTN-ZWKOTPCHSA-N 1 3 308.466 2.321 20 0 DEADHO CO[C@H]1CCC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000903198262 643283107 /nfs/dbraw/zinc/28/31/07/643283107.db2.gz BTACFMFDUUHXMF-MSOLQXFVSA-N 1 3 303.450 2.451 20 0 DEADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC(CC(=O)NC2CCCC2)CC1 ZINC000903432838 643347346 /nfs/dbraw/zinc/34/73/46/643347346.db2.gz NEXYKAKPVLNLGN-ZBFHGGJFSA-N 1 3 307.482 2.003 20 0 DEADHO C[C@@H]1CN(CC(=O)N2c3ccccc3CC[C@@H]2C)C[C@H]1CC[NH3+] ZINC000903496274 643371239 /nfs/dbraw/zinc/37/12/39/643371239.db2.gz HRVMYARERUAODA-HLLBOEOZSA-N 1 3 315.461 2.271 20 0 DEADHO CCOc1ccccc1NC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903495918 643371248 /nfs/dbraw/zinc/37/12/48/643371248.db2.gz BXWSBQMEWBFURO-RBSFLKMASA-N 1 3 319.449 2.329 20 0 DEADHO CC(C)(C)OC[C@H]1CCC[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000903563776 643384743 /nfs/dbraw/zinc/38/47/43/643384743.db2.gz LGUNGFBCYFMLAL-SQNIBIBYSA-N 1 3 320.477 2.197 20 0 DEADHO CC(C)(C)OC[C@H]1CCC[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000903563776 643384747 /nfs/dbraw/zinc/38/47/47/643384747.db2.gz LGUNGFBCYFMLAL-SQNIBIBYSA-N 1 3 320.477 2.197 20 0 DEADHO Cc1ccccc1OCCN(C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903719095 643437759 /nfs/dbraw/zinc/43/77/59/643437759.db2.gz VGHHXOUPLQGNSH-AEFFLSMTSA-N 1 3 304.434 2.074 20 0 DEADHO CN(Cc1ccc2c(c1)OCO2)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717973 643437857 /nfs/dbraw/zinc/43/78/57/643437857.db2.gz GOLPZJAIPDBGSB-OAHLLOKOSA-N 1 3 318.417 2.006 20 0 DEADHO CCOc1ccc(CN(C)C[C@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903718321 643437874 /nfs/dbraw/zinc/43/78/74/643437874.db2.gz KRXPCUUKLUYGON-MSOLQXFVSA-N 1 3 304.434 2.286 20 0 DEADHO CCN(Cc1ccc2c(c1)OCO2)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718476 643437913 /nfs/dbraw/zinc/43/79/13/643437913.db2.gz NEKXACDSGCAWEC-MAUKXSAKSA-N 1 3 318.417 2.006 20 0 DEADHO c1ccc([C@@H]2CCCN2C[C@H]2CC3(CO2)CC[NH2+]CC3)nc1 ZINC000903737015 643449591 /nfs/dbraw/zinc/44/95/91/643449591.db2.gz OOJHFZLPBHKHMN-WBVHZDCISA-N 1 3 301.434 2.377 20 0 DEADHO C[C@H](C1CC1)N(C(=O)CN1CCC(C(C)(C)C[NH3+])CC1)C1CC1 ZINC000903790300 643456276 /nfs/dbraw/zinc/45/62/76/643456276.db2.gz BAAHVFQMTDIPFG-CQSZACIVSA-N 1 3 321.509 2.473 20 0 DEADHO c1ccc([C@]23COC[C@H]2CN(C[C@H]2CCCC[NH2+]C2)C3)cc1 ZINC000903784242 643461314 /nfs/dbraw/zinc/46/13/14/643461314.db2.gz MIPJXENXDWJHAH-UHOSZYNNSA-N 1 3 300.446 2.276 20 0 DEADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N([C@@H]1CCCN(c3cccc(F)c3)C1=O)C2 ZINC000903843645 643481227 /nfs/dbraw/zinc/48/12/27/643481227.db2.gz OXOWFDKDOFRBJO-ZFZWDLNGSA-N 1 3 317.408 2.133 20 0 DEADHO Cc1c(C[C@H](C[NH3+])CNCc2ccc(F)c(C)c2)cnn1C ZINC000903922615 643508813 /nfs/dbraw/zinc/50/88/13/643508813.db2.gz ARFRQMJNRRSGID-OAHLLOKOSA-N 1 3 304.413 2.083 20 0 DEADHO CCc1ccccc1CNC[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903922798 643509095 /nfs/dbraw/zinc/50/90/95/643509095.db2.gz FEGDHAHPJUVPNS-HNNXBMFYSA-N 1 3 300.450 2.198 20 0 DEADHO FC1(F)CCNC[C@@H]1C[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000903954212 643529264 /nfs/dbraw/zinc/52/92/64/643529264.db2.gz AKQFWQGPKRUNAI-CQSZACIVSA-N 1 3 306.360 2.207 20 0 DEADHO Cc1c(C[C@H](C[NH3+])CN2C[C@H]3C[C@@]3(c3ccccc3)C2)cnn1C ZINC000903978876 643533458 /nfs/dbraw/zinc/53/34/58/643533458.db2.gz OAJUBNDBPPKXBB-AHRSYUTCSA-N 1 3 324.472 2.119 20 0 DEADHO Cc1ccsc1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980786 643534101 /nfs/dbraw/zinc/53/41/01/643534101.db2.gz ZVBRWUBCUMJVHU-IYBDPMFKSA-N 1 3 305.491 2.457 20 0 DEADHO C[C@H]1CN(Cc2ccnn2-c2ccc(F)cc2)CC[C@H]1C[NH3+] ZINC000904409720 643661313 /nfs/dbraw/zinc/66/13/13/643661313.db2.gz HCZPGGZFAAHXAK-KBPBESRZSA-N 1 3 302.397 2.428 20 0 DEADHO c1cn(-c2ccc(CN3CCC([C@@H]4CCC[NH2+]4)CC3)cn2)cn1 ZINC000843045596 650876621 /nfs/dbraw/zinc/87/66/21/650876621.db2.gz KAQHDGQVCNLGMP-KRWDZBQOSA-N 1 3 311.433 2.231 20 0 DEADHO O[C@H](CNC[C@H]1CC[N@@H+]1C1CCCCCC1)C1(O)CCCC1 ZINC000905407827 643897362 /nfs/dbraw/zinc/89/73/62/643897362.db2.gz FUIHLFMJTVXUOL-IAGOWNOFSA-N 1 3 310.482 2.039 20 0 DEADHO O[C@H](CNC[C@H]1CC[N@H+]1C1CCCCCC1)C1(O)CCCC1 ZINC000905407827 643897364 /nfs/dbraw/zinc/89/73/64/643897364.db2.gz FUIHLFMJTVXUOL-IAGOWNOFSA-N 1 3 310.482 2.039 20 0 DEADHO CCc1nn(C)c(Cl)c1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125007 650901511 /nfs/dbraw/zinc/90/15/11/650901511.db2.gz LALXGUQLBJOHSG-CHWSQXEVSA-N 1 3 310.873 2.457 20 0 DEADHO [NH3+]CCc1noc([C@H]2CCCN(Cc3cccc(F)c3)C2)n1 ZINC000843131447 650903071 /nfs/dbraw/zinc/90/30/71/650903071.db2.gz UPRKVUAACSVSBC-ZDUSSCGKSA-N 1 3 304.369 2.090 20 0 DEADHO CC(C)(C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)N1CCCCC1 ZINC000906523831 644272272 /nfs/dbraw/zinc/27/22/72/644272272.db2.gz VXGQFOJLVQEPLL-UHFFFAOYSA-N 1 3 313.405 2.470 20 0 DEADHO C[N@@H+]1CC[C@H](NCCNC(=O)c2ccc(F)cc2)[C@H]2CCC[C@H]21 ZINC000796705947 644779387 /nfs/dbraw/zinc/77/93/87/644779387.db2.gz XLQZWPNEYVKGPP-IXDOHACOSA-N 1 3 319.424 2.018 20 0 DEADHO C[N@H+]1CC[C@H](NCCNC(=O)c2ccc(F)cc2)[C@H]2CCC[C@H]21 ZINC000796705947 644779391 /nfs/dbraw/zinc/77/93/91/644779391.db2.gz XLQZWPNEYVKGPP-IXDOHACOSA-N 1 3 319.424 2.018 20 0 DEADHO [NH3+]C[C@@H]1CN(CC[C@H]2CC2(Cl)Cl)CC12CCOCC2 ZINC000843387725 650964201 /nfs/dbraw/zinc/96/42/01/650964201.db2.gz IIRHAIDZMNWSSB-NWDGAFQWSA-N 1 3 307.265 2.258 20 0 DEADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000309992629 646287229 /nfs/dbraw/zinc/28/72/29/646287229.db2.gz AOFQCJIEVWCWHY-RTBURBONSA-N 1 3 320.477 2.226 20 0 DEADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000309992629 646287231 /nfs/dbraw/zinc/28/72/31/646287231.db2.gz AOFQCJIEVWCWHY-RTBURBONSA-N 1 3 320.477 2.226 20 0 DEADHO CCCC[N@H+](C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810393469 646358743 /nfs/dbraw/zinc/35/87/43/646358743.db2.gz RUMSFIKLBPSEPB-INIZCTEOSA-N 1 3 301.450 2.047 20 0 DEADHO CCCC[N@@H+](C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810393469 646358744 /nfs/dbraw/zinc/35/87/44/646358744.db2.gz RUMSFIKLBPSEPB-INIZCTEOSA-N 1 3 301.450 2.047 20 0 DEADHO CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC000992015427 646828970 /nfs/dbraw/zinc/82/89/70/646828970.db2.gz VDOVPTRJAMQJQS-ZHALLVOQSA-N 1 3 319.493 2.384 20 0 DEADHO CCC[N@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC000992015427 646828972 /nfs/dbraw/zinc/82/89/72/646828972.db2.gz VDOVPTRJAMQJQS-ZHALLVOQSA-N 1 3 319.493 2.384 20 0 DEADHO C[N@@H+]1CCC[C@@]2(CCN(CC3CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000815143679 646978452 /nfs/dbraw/zinc/97/84/52/646978452.db2.gz CBUNSBROORMUDN-GOSISDBHSA-N 1 3 323.481 2.271 20 0 DEADHO C[N@H+]1CCC[C@@]2(CCN(CC3CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000815143679 646978457 /nfs/dbraw/zinc/97/84/57/646978457.db2.gz CBUNSBROORMUDN-GOSISDBHSA-N 1 3 323.481 2.271 20 0 DEADHO CC(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]21 ZINC000992709159 647191444 /nfs/dbraw/zinc/19/14/44/647191444.db2.gz HPZUAOIZBGNLMQ-BRWVUGGUSA-N 1 3 321.509 2.343 20 0 DEADHO CN1CCC[C@H](NC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000914314966 647260348 /nfs/dbraw/zinc/26/03/48/647260348.db2.gz HKFACYAVQDWOGU-PQUAAJSLSA-N 1 3 322.497 2.177 20 0 DEADHO N[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000817899596 647376405 /nfs/dbraw/zinc/37/64/05/647376405.db2.gz HRAWTDMJFUJWJW-UPJWGTAASA-N 1 3 304.312 2.088 20 0 DEADHO COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1 ZINC000817901490 647376935 /nfs/dbraw/zinc/37/69/35/647376935.db2.gz VYHFGWONRSCZFW-SGTLLEGYSA-N 1 3 315.417 2.242 20 0 DEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000817916916 647380846 /nfs/dbraw/zinc/38/08/46/647380846.db2.gz JQBHSFQNNXYEAO-YJYMSZOUSA-N 1 3 311.429 2.333 20 0 DEADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](O)c1ccc(Cl)c(F)c1 ZINC000817917086 647380905 /nfs/dbraw/zinc/38/09/05/647380905.db2.gz NEQUYFOULBBWNS-KMUNFCNLSA-N 1 3 300.805 2.490 20 0 DEADHO C[C@H](C[C@H](C)[NH3+])NC[C@H](O)c1ccccc1Br ZINC000817937329 647387160 /nfs/dbraw/zinc/38/71/60/647387160.db2.gz YGIZRZLTOVQYGW-CWSCBRNRSA-N 1 3 301.228 2.198 20 0 DEADHO C[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000817965991 647395639 /nfs/dbraw/zinc/39/56/39/647395639.db2.gz YNWKIEBLUOOIAT-WBMJQRKESA-N 1 3 303.406 2.421 20 0 DEADHO CCOCC[C@H](O)CNC1CC[NH+](CC2CCCCC2)CC1 ZINC000818983928 647557321 /nfs/dbraw/zinc/55/73/21/647557321.db2.gz RCVDMLTXCVLACJ-SFHVURJKSA-N 1 3 312.498 2.408 20 0 DEADHO CCOCC[C@H](O)C[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000818983928 647557327 /nfs/dbraw/zinc/55/73/27/647557327.db2.gz RCVDMLTXCVLACJ-SFHVURJKSA-N 1 3 312.498 2.408 20 0 DEADHO O[C@@H](C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccccc1 ZINC000819173735 647600756 /nfs/dbraw/zinc/60/07/56/647600756.db2.gz MKXQKNWAWGWRFL-QRVBRYPASA-N 1 3 318.461 2.078 20 0 DEADHO Cc1ccc([C@H](O)CNCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000819265416 647621403 /nfs/dbraw/zinc/62/14/03/647621403.db2.gz OUEUJKGHHRUICA-SJLPKXTDSA-N 1 3 306.450 2.119 20 0 DEADHO Cc1ccc([C@H](O)CNCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000819265416 647621405 /nfs/dbraw/zinc/62/14/05/647621405.db2.gz OUEUJKGHHRUICA-SJLPKXTDSA-N 1 3 306.450 2.119 20 0 DEADHO CCN1CC[C@@H](C[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000233500721 648345324 /nfs/dbraw/zinc/34/53/24/648345324.db2.gz GDIZWUOLMYHNCO-GJZGRUSLSA-N 1 3 311.470 2.317 20 0 DEADHO CC[N@@H+]1CC[C@@H](CNC[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000233500721 648345326 /nfs/dbraw/zinc/34/53/26/648345326.db2.gz GDIZWUOLMYHNCO-GJZGRUSLSA-N 1 3 311.470 2.317 20 0 DEADHO CC[N@H+]1CC[C@@H](CNC[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000233500721 648345330 /nfs/dbraw/zinc/34/53/30/648345330.db2.gz GDIZWUOLMYHNCO-GJZGRUSLSA-N 1 3 311.470 2.317 20 0 DEADHO CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000995228161 649202031 /nfs/dbraw/zinc/20/20/31/649202031.db2.gz HKRUYFOOSYWCQB-HOCLYGCPSA-N 1 3 303.450 2.256 20 0 DEADHO C[C@H]1C[N@H+](CCCF)CC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942556074 649245816 /nfs/dbraw/zinc/24/58/16/649245816.db2.gz UWNJLMDEUTUKIT-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H]1C[N@@H+](CCCF)CC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942556074 649245818 /nfs/dbraw/zinc/24/58/18/649245818.db2.gz UWNJLMDEUTUKIT-LSDHHAIUSA-N 1 3 313.461 2.047 20 0 DEADHO C[C@H]1C[N@H+](CC2CC2)CC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942555721 649245922 /nfs/dbraw/zinc/24/59/22/649245922.db2.gz OWLLJAJWRQPWEX-HOCLYGCPSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@H]1C[N@@H+](CC2CC2)CC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942555721 649245923 /nfs/dbraw/zinc/24/59/23/649245923.db2.gz OWLLJAJWRQPWEX-HOCLYGCPSA-N 1 3 307.482 2.097 20 0 DEADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000848718723 651496808 /nfs/dbraw/zinc/49/68/08/651496808.db2.gz QFKKWNOPCVWFMG-MBNYWOFBSA-N 1 3 318.339 2.478 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCc2ccccc2C1 ZINC000849009305 651580518 /nfs/dbraw/zinc/58/05/18/651580518.db2.gz UGFWCALBQAQCLK-CRAIPNDOSA-N 1 3 314.477 2.390 20 0 DEADHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@@]1(C)c1ccccc1 ZINC000849010491 651581393 /nfs/dbraw/zinc/58/13/93/651581393.db2.gz SOEQVAPIUQVVQG-NUJGCVRESA-N 1 3 300.450 2.315 20 0 DEADHO C[C@@H](O)c1ncc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000849350785 651655614 /nfs/dbraw/zinc/65/56/14/651655614.db2.gz WDOQBMHVSMYJOZ-TZMCWYRMSA-N 1 3 309.479 2.408 20 0 DEADHO C/C(=C\C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccco1 ZINC000855344827 651678990 /nfs/dbraw/zinc/67/89/90/651678990.db2.gz GZIYRGCHIUJNOO-ZQHYZAEZSA-N 1 3 307.438 2.071 20 0 DEADHO C/C(=C\C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccco1 ZINC000855344827 651678993 /nfs/dbraw/zinc/67/89/93/651678993.db2.gz GZIYRGCHIUJNOO-ZQHYZAEZSA-N 1 3 307.438 2.071 20 0 DEADHO COC[C@H](C)[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856600228 651955834 /nfs/dbraw/zinc/95/58/34/651955834.db2.gz RNIXKSHXUMALGV-YJBOKZPZSA-N 1 3 321.465 2.410 20 0 DEADHO COC[C@H](C)[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856600228 651955835 /nfs/dbraw/zinc/95/58/35/651955835.db2.gz RNIXKSHXUMALGV-YJBOKZPZSA-N 1 3 321.465 2.410 20 0 DEADHO O=C(CC[NH+]1CCC(NCc2ccccc2)CC1)N1CCCC1 ZINC000852117221 652344366 /nfs/dbraw/zinc/34/43/66/652344366.db2.gz XCGGOCUXMYMTDD-UHFFFAOYSA-N 1 3 315.461 2.253 20 0 DEADHO O=C(C=C1CC[NH2+]CC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000852860391 652471722 /nfs/dbraw/zinc/47/17/22/652471722.db2.gz PIAKPIHIOZFBKX-SFHVURJKSA-N 1 3 313.445 2.077 20 0 DEADHO COc1ccccc1[C@H](O)C[NH2+]C1CCN(CC2CC2)CC1 ZINC000853238063 652528127 /nfs/dbraw/zinc/52/81/27/652528127.db2.gz QFHQNMFMLAXUOK-QGZVFWFLSA-N 1 3 304.434 2.193 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]CC23CC(C2)CN3)C1 ZINC000853246675 652528926 /nfs/dbraw/zinc/52/89/26/652528926.db2.gz PLBCDMGQLNJKEH-DNCHLWJUSA-N 1 3 316.392 2.085 20 0 DEADHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000853246675 652528928 /nfs/dbraw/zinc/52/89/28/652528928.db2.gz PLBCDMGQLNJKEH-DNCHLWJUSA-N 1 3 316.392 2.085 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1CC[N@H+](CCCF)C1)N1CCCCCC1 ZINC001391099300 1156110024 /nfs/dbraw/zinc/11/00/24/1156110024.db2.gz UKOPEQHEWJLLHV-JKSUJKDBSA-N 1 3 313.461 2.049 20 0 DEADHO C[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCCF)C1)N1CCCCCC1 ZINC001391099300 1156110032 /nfs/dbraw/zinc/11/00/32/1156110032.db2.gz UKOPEQHEWJLLHV-JKSUJKDBSA-N 1 3 313.461 2.049 20 0 DEADHO CC1CC(C[N@H+](CCNC(=O)CN(C)C2CCC2)C2CC2)C1 ZINC001391171503 1156211885 /nfs/dbraw/zinc/21/18/85/1156211885.db2.gz ZVYJKARQSMGDOU-UHFFFAOYSA-N 1 3 307.482 2.097 20 0 DEADHO CC1CC(C[N@@H+](CCNC(=O)CN(C)C2CCC2)C2CC2)C1 ZINC001391171503 1156211909 /nfs/dbraw/zinc/21/19/09/1156211909.db2.gz ZVYJKARQSMGDOU-UHFFFAOYSA-N 1 3 307.482 2.097 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](C)CCC1CCCC1 ZINC001372246340 1156323963 /nfs/dbraw/zinc/32/39/63/1156323963.db2.gz QJFWOWIJDSWKQI-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](C)CCC1CCCC1 ZINC001372246340 1156323969 /nfs/dbraw/zinc/32/39/69/1156323969.db2.gz QJFWOWIJDSWKQI-QGZVFWFLSA-N 1 3 309.498 2.489 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCCF)C1 ZINC001391364052 1156360746 /nfs/dbraw/zinc/36/07/46/1156360746.db2.gz XYFZRTDECQLEGX-JKSUJKDBSA-N 1 3 313.461 2.001 20 0 DEADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1CCC1)C(C)C ZINC001392220331 1156895826 /nfs/dbraw/zinc/89/58/26/1156895826.db2.gz YCWRUBHRYBZXCQ-DLBZAZTESA-N 1 3 309.498 2.391 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+][C@@H](C)c1ccccc1 ZINC001374112389 1157633012 /nfs/dbraw/zinc/63/30/12/1157633012.db2.gz NRAWNBWXXJZMJL-CVEARBPZSA-N 1 3 305.466 2.430 20 0 DEADHO CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001054145460 693861939 /nfs/dbraw/zinc/86/19/39/693861939.db2.gz QKWSWUOQRDMDTD-HKUYNNGSSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001054145460 693861942 /nfs/dbraw/zinc/86/19/42/693861942.db2.gz QKWSWUOQRDMDTD-HKUYNNGSSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001054198000 693879378 /nfs/dbraw/zinc/87/93/78/693879378.db2.gz NCVVWHGLEUSRRO-IEBWSBKVSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001054198000 693879383 /nfs/dbraw/zinc/87/93/83/693879383.db2.gz NCVVWHGLEUSRRO-IEBWSBKVSA-N 1 3 321.509 2.441 20 0 DEADHO CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001054198514 693879657 /nfs/dbraw/zinc/87/96/57/693879657.db2.gz YVGYTWNPQBVRSW-HKUYNNGSSA-N 1 3 321.509 2.443 20 0 DEADHO CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001054198514 693879663 /nfs/dbraw/zinc/87/96/63/693879663.db2.gz YVGYTWNPQBVRSW-HKUYNNGSSA-N 1 3 321.509 2.443 20 0 DEADHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@H]1CC2(CC2)C(=O)O1 ZINC000859212198 685682741 /nfs/dbraw/zinc/68/27/41/685682741.db2.gz HNEHUGOGWGATGQ-MRXNPFEDSA-N 1 3 302.418 2.276 20 0 DEADHO CCN(CCN1CCOC1=O)Cc1ccc(C[NH+](C)C)cc1 ZINC000859994847 685867855 /nfs/dbraw/zinc/86/78/55/685867855.db2.gz FPWBJFHOMFKVGN-UHFFFAOYSA-N 1 3 305.422 2.022 20 0 DEADHO COCCN1CCC[C@H]1COC(=O)c1cccc(C[NH+](C)C)c1 ZINC000861035611 685988634 /nfs/dbraw/zinc/98/86/34/685988634.db2.gz CXIXJEBXTOCAMZ-KRWDZBQOSA-N 1 3 320.433 2.016 20 0 DEADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(CC3=CCCCC3)C2)C1 ZINC001015995864 687494625 /nfs/dbraw/zinc/49/46/25/687494625.db2.gz ADEPLIZXWAMHSN-DLBZAZTESA-N 1 3 305.466 2.019 20 0 DEADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(CC3=CCCCC3)C2)C1 ZINC001015995864 687494628 /nfs/dbraw/zinc/49/46/28/687494628.db2.gz ADEPLIZXWAMHSN-DLBZAZTESA-N 1 3 305.466 2.019 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H](C[N@H+](C)CC2CCC2)C1 ZINC001017208889 687824816 /nfs/dbraw/zinc/82/48/16/687824816.db2.gz KPWHRHVKKLMKEW-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCC2)C1 ZINC001017208889 687824822 /nfs/dbraw/zinc/82/48/22/687824822.db2.gz KPWHRHVKKLMKEW-WMZOPIPTSA-N 1 3 321.509 2.441 20 0 DEADHO CC1CC(CN2C[C@H]3CC[C@@H](C2)N3C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001018179446 688073174 /nfs/dbraw/zinc/07/31/74/688073174.db2.gz GUWSZZRFKKREDF-YVZBVZGPSA-N 1 3 319.493 2.050 20 0 DEADHO CC1CC(CN2C[C@H]3CC[C@@H](C2)N3C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001018179446 688073176 /nfs/dbraw/zinc/07/31/76/688073176.db2.gz GUWSZZRFKKREDF-YVZBVZGPSA-N 1 3 319.493 2.050 20 0 DEADHO CCc1ccccc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001018628620 688188972 /nfs/dbraw/zinc/18/89/72/688188972.db2.gz NRCDPLPRKAVJHE-ZWKOTPCHSA-N 1 3 315.461 2.034 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCC2CCCC2)C1)N(C)C ZINC001019337335 688331901 /nfs/dbraw/zinc/33/19/01/688331901.db2.gz FPZZQALHZXWBGI-DLBZAZTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001019340856 688333105 /nfs/dbraw/zinc/33/31/05/688333105.db2.gz KRTPNLLZIKGTIW-DLBZAZTESA-N 1 3 321.440 2.102 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC001029000801 688548953 /nfs/dbraw/zinc/54/89/53/688548953.db2.gz KCSVQVPMNHBFCJ-KRWDZBQOSA-N 1 3 315.461 2.210 20 0 DEADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC001029000801 688548957 /nfs/dbraw/zinc/54/89/57/688548957.db2.gz KCSVQVPMNHBFCJ-KRWDZBQOSA-N 1 3 315.461 2.210 20 0 DEADHO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000870988637 688704936 /nfs/dbraw/zinc/70/49/36/688704936.db2.gz VUQMGVJKFNLPMW-VQIMIIECSA-N 1 3 315.461 2.445 20 0 DEADHO CCN1CCN(CCC[NH2+][C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000872023442 688914927 /nfs/dbraw/zinc/91/49/27/688914927.db2.gz RRPJAZYNGKWKKB-QGZVFWFLSA-N 1 3 309.498 2.095 20 0 DEADHO C[C@H](NCCC[N@@H+]1CCCN(C)CC1)c1cc(O)ccc1F ZINC000872033118 688916264 /nfs/dbraw/zinc/91/62/64/688916264.db2.gz FJJDTTHKKXQUGG-AWEZNQCLSA-N 1 3 309.429 2.210 20 0 DEADHO C[C@H](NCCC[N@H+]1CCCN(C)CC1)c1cc(O)ccc1F ZINC000872033118 688916266 /nfs/dbraw/zinc/91/62/66/688916266.db2.gz FJJDTTHKKXQUGG-AWEZNQCLSA-N 1 3 309.429 2.210 20 0 DEADHO C[C@@H]1CC2(CN1CCCS(=O)(=O)C(C)(C)C)CC[NH2+]CC2 ZINC000872145072 688935966 /nfs/dbraw/zinc/93/59/66/688935966.db2.gz OHGGTIKOEBJXKK-CQSZACIVSA-N 1 3 316.511 2.054 20 0 DEADHO CCN(CC)C(=O)CN1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156979 688940633 /nfs/dbraw/zinc/94/06/33/688940633.db2.gz MWCMXAFNEDBRPS-DOTOQJQBSA-N 1 3 309.498 2.474 20 0 DEADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001032456862 689156802 /nfs/dbraw/zinc/15/68/02/689156802.db2.gz XJCTZEQYHJQHAD-IKGGRYGDSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001032456862 689156804 /nfs/dbraw/zinc/15/68/04/689156804.db2.gz XJCTZEQYHJQHAD-IKGGRYGDSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001032538215 689179826 /nfs/dbraw/zinc/17/98/26/689179826.db2.gz NMGMAJPMQSIXFV-OKZBNKHCSA-N 1 3 319.493 2.192 20 0 DEADHO CC(C)C(=O)NC1CCN(Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873204008 689182253 /nfs/dbraw/zinc/18/22/53/689182253.db2.gz WDZLDXJDRUEGOB-UHFFFAOYSA-N 1 3 321.490 2.130 20 0 DEADHO CC[C@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)c1ccncc1 ZINC000873242430 689191866 /nfs/dbraw/zinc/19/18/66/689191866.db2.gz BNKHVDWZIYJKBI-SFHVURJKSA-N 1 3 322.416 2.362 20 0 DEADHO Cc1cncc([C@@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)c1 ZINC000873243470 689192177 /nfs/dbraw/zinc/19/21/77/689192177.db2.gz LPLNZMNZHZIDNY-CQSZACIVSA-N 1 3 322.416 2.280 20 0 DEADHO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCC2)C1 ZINC001032627637 689206892 /nfs/dbraw/zinc/20/68/92/689206892.db2.gz CVPILBNJQBAJDF-SZMVWBNQSA-N 1 3 319.493 2.194 20 0 DEADHO C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCC2)C1 ZINC001032627637 689206896 /nfs/dbraw/zinc/20/68/96/689206896.db2.gz CVPILBNJQBAJDF-SZMVWBNQSA-N 1 3 319.493 2.194 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001033069254 689375108 /nfs/dbraw/zinc/37/51/08/689375108.db2.gz HPOSKKXPFGOCGK-IAGOWNOFSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033069254 689375113 /nfs/dbraw/zinc/37/51/13/689375113.db2.gz HPOSKKXPFGOCGK-IAGOWNOFSA-N 1 3 307.482 2.192 20 0 DEADHO CC(C)=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033069049 689375551 /nfs/dbraw/zinc/37/55/51/689375551.db2.gz GNVKTBZRBXKUEV-IAGOWNOFSA-N 1 3 307.482 2.358 20 0 DEADHO CC(C)=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033069049 689375555 /nfs/dbraw/zinc/37/55/55/689375555.db2.gz GNVKTBZRBXKUEV-IAGOWNOFSA-N 1 3 307.482 2.358 20 0 DEADHO CC(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001033070081 689376814 /nfs/dbraw/zinc/37/68/14/689376814.db2.gz NFYHATAFXJIYBZ-SJORKVTESA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001033070081 689376817 /nfs/dbraw/zinc/37/68/17/689376817.db2.gz NFYHATAFXJIYBZ-SJORKVTESA-N 1 3 309.498 2.438 20 0 DEADHO CC(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001375845866 1158890389 /nfs/dbraw/zinc/89/03/89/1158890389.db2.gz DYNXOEVMTKGAIG-FUHWJXTLSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001375845866 1158890393 /nfs/dbraw/zinc/89/03/93/1158890393.db2.gz DYNXOEVMTKGAIG-FUHWJXTLSA-N 1 3 309.498 2.488 20 0 DEADHO CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001033296724 689451920 /nfs/dbraw/zinc/45/19/20/689451920.db2.gz YEYQVNCTVJDIKD-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001033296724 689451923 /nfs/dbraw/zinc/45/19/23/689451923.db2.gz YEYQVNCTVJDIKD-IAGOWNOFSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C(=O)C(C)(C)N1CCCC1)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001033317592 689459300 /nfs/dbraw/zinc/45/93/00/689459300.db2.gz BWJCLGDVOKFAKZ-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C(=O)C(C)(C)N1CCCC1)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033317592 689459301 /nfs/dbraw/zinc/45/93/01/689459301.db2.gz BWJCLGDVOKFAKZ-MRXNPFEDSA-N 1 3 307.482 2.194 20 0 DEADHO CC(C)=CCN1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033358072 689475771 /nfs/dbraw/zinc/47/57/71/689475771.db2.gz GGZSHTHMOJGOKA-YESZJQIVSA-N 1 3 307.482 2.216 20 0 DEADHO CC(C)=CCN1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033358072 689475774 /nfs/dbraw/zinc/47/57/74/689475774.db2.gz GGZSHTHMOJGOKA-YESZJQIVSA-N 1 3 307.482 2.216 20 0 DEADHO CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCN2CC(C)C)C1 ZINC001034289275 689796785 /nfs/dbraw/zinc/79/67/85/689796785.db2.gz SJMKJUKXYYTZOZ-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCN2CC(C)C)C1 ZINC001034289275 689796790 /nfs/dbraw/zinc/79/67/90/689796790.db2.gz SJMKJUKXYYTZOZ-IAGOWNOFSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)(C(=O)N[C@H]1CCCC[N@H+](CCCF)C1)N1CCCC1 ZINC001034339431 689814235 /nfs/dbraw/zinc/81/42/35/689814235.db2.gz FPTOUEKYSKPQMY-HNNXBMFYSA-N 1 3 313.461 2.191 20 0 DEADHO CC(C)(C(=O)N[C@H]1CCCC[N@@H+](CCCF)C1)N1CCCC1 ZINC001034339431 689814237 /nfs/dbraw/zinc/81/42/37/689814237.db2.gz FPTOUEKYSKPQMY-HNNXBMFYSA-N 1 3 313.461 2.191 20 0 DEADHO CN(C)C[C@@H]1CC[N@H+](CC(C)(C)CNC(=O)OC(C)(C)C)C1 ZINC000876731485 689919245 /nfs/dbraw/zinc/91/92/45/689919245.db2.gz RJRYKHOYHXQIGF-AWEZNQCLSA-N 1 3 313.486 2.421 20 0 DEADHO CN(C)C[C@@H]1CC[N@@H+](CC(C)(C)CNC(=O)OC(C)(C)C)C1 ZINC000876731485 689919247 /nfs/dbraw/zinc/91/92/47/689919247.db2.gz RJRYKHOYHXQIGF-AWEZNQCLSA-N 1 3 313.486 2.421 20 0 DEADHO C[NH+]1CCC(O)(CNCc2cc3c(ccnc3Cl)o2)CC1 ZINC000877061388 690010221 /nfs/dbraw/zinc/01/02/21/690010221.db2.gz GMMXDPBRPSXYNX-UHFFFAOYSA-N 1 3 309.797 2.028 20 0 DEADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1csc(C)c1)N(C)C ZINC001035052193 690022098 /nfs/dbraw/zinc/02/20/98/690022098.db2.gz HVGWBYZRBPXHEE-CVEARBPZSA-N 1 3 323.506 2.477 20 0 DEADHO CCN1CCN(CCC[NH2+]CCc2cc(C)cc(C)c2)CC1 ZINC000877145594 690029643 /nfs/dbraw/zinc/02/96/43/690029643.db2.gz MKFLSXNVYSDGNT-UHFFFAOYSA-N 1 3 303.494 2.463 20 0 DEADHO C[C@H]([NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1)c1ccccc1 ZINC001035126361 690034034 /nfs/dbraw/zinc/03/40/34/690034034.db2.gz ZKFBGQDQWBRTPN-FUHWJXTLSA-N 1 3 315.461 2.424 20 0 DEADHO Cc1cc([C@H](N)CC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)cc(Cl)n1 ZINC000877180548 690039017 /nfs/dbraw/zinc/03/90/17/690039017.db2.gz ZFOMIFMNRCWKJA-MRVWCRGKSA-N 1 3 324.856 2.067 20 0 DEADHO CC(C)[NH+]1CCC(CCNC(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000877200657 690043773 /nfs/dbraw/zinc/04/37/73/690043773.db2.gz OUZDXJBQVBMDOA-SFHVURJKSA-N 1 3 317.477 2.183 20 0 DEADHO CC(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001035167554 690047111 /nfs/dbraw/zinc/04/71/11/690047111.db2.gz QPNIBFJPJURMOK-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CC(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001035167554 690047113 /nfs/dbraw/zinc/04/71/13/690047113.db2.gz QPNIBFJPJURMOK-INIZCTEOSA-N 1 3 307.482 2.051 20 0 DEADHO CN(CC(=O)N1CCC2(CC[N@H+](CC3CC3)C2)CC1)C1CCC1 ZINC001035193929 690056825 /nfs/dbraw/zinc/05/68/25/690056825.db2.gz DXRBLZAMHYBQAK-UHFFFAOYSA-N 1 3 319.493 2.195 20 0 DEADHO CN(CC(=O)N1CCC2(CC[N@@H+](CC3CC3)C2)CC1)C1CCC1 ZINC001035193929 690056829 /nfs/dbraw/zinc/05/68/29/690056829.db2.gz DXRBLZAMHYBQAK-UHFFFAOYSA-N 1 3 319.493 2.195 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(CC[N@H+](CC)C2)CC1 ZINC001035257904 690076281 /nfs/dbraw/zinc/07/62/81/690076281.db2.gz ALRAKXNXBDCTLP-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](CC)C2)CC1 ZINC001035257904 690076286 /nfs/dbraw/zinc/07/62/86/690076286.db2.gz ALRAKXNXBDCTLP-MRXNPFEDSA-N 1 3 307.482 2.195 20 0 DEADHO [NH3+][C@@H](CC1CCCCC1)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000877341555 690081921 /nfs/dbraw/zinc/08/19/21/690081921.db2.gz UNAWCRYXPXUWDM-ROUUACIJSA-N 1 3 315.461 2.115 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000877447774 690116112 /nfs/dbraw/zinc/11/61/12/690116112.db2.gz BDWZVEXKDNRJMJ-DOTOQJQBSA-N 1 3 309.498 2.473 20 0 DEADHO CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001035719602 690160102 /nfs/dbraw/zinc/16/01/02/690160102.db2.gz DCSWPIFMJFFMLM-MRXNPFEDSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C1CC1)N(C)C)CC2 ZINC001035721406 690160915 /nfs/dbraw/zinc/16/09/15/690160915.db2.gz UYGAHUSUAKAURH-QGZVFWFLSA-N 1 3 319.493 2.217 20 0 DEADHO COCCN(Cc1ccc(COC)o1)CC1CC[NH+](C)CC1 ZINC000877664782 690182851 /nfs/dbraw/zinc/18/28/51/690182851.db2.gz WMMIIUXZAFWZOG-UHFFFAOYSA-N 1 3 310.438 2.216 20 0 DEADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CC1CCC1 ZINC001036055703 690248557 /nfs/dbraw/zinc/24/85/57/690248557.db2.gz RBCOVMIFNGTSSH-HOCLYGCPSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1[NH2+]CC1CCC1 ZINC001036183587 690284508 /nfs/dbraw/zinc/28/45/08/690284508.db2.gz SLBYGVXXAXUTGG-NVXWUHKLSA-N 1 3 321.509 2.345 20 0 DEADHO CCC[NH+]1CCC(N(C)C[C@H](O)CC2(CO)CCCC2)CC1 ZINC000878165443 690333026 /nfs/dbraw/zinc/33/30/26/690333026.db2.gz ZOFJPYDHOZSRFD-QGZVFWFLSA-N 1 3 312.498 2.096 20 0 DEADHO C[C@@H]([NH2+]CC1CCC1)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001036415990 690344964 /nfs/dbraw/zinc/34/49/64/690344964.db2.gz TYADUYMRISMUKS-WBVHZDCISA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H]1CN(C[C@@H]2CCC3(CCC3)O2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000878325055 690379354 /nfs/dbraw/zinc/37/93/54/690379354.db2.gz QUBBSBVNJUEAEL-FGTMMUONSA-N 1 3 321.509 2.046 20 0 DEADHO CCCCOC(=O)CCN1CCCN(c2cc[nH+]cc2)CC1 ZINC000878744754 690490049 /nfs/dbraw/zinc/49/00/49/690490049.db2.gz XTUYFXVLCJYZKL-UHFFFAOYSA-N 1 3 305.422 2.327 20 0 DEADHO CC[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CCC1CC1 ZINC001037856127 690624827 /nfs/dbraw/zinc/62/48/27/690624827.db2.gz YAMRQSVACFVUFT-DLBZAZTESA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)CCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001038346137 690789491 /nfs/dbraw/zinc/78/94/91/690789491.db2.gz OXCDLNNLQUWFBZ-SJORKVTESA-N 1 3 309.498 2.201 20 0 DEADHO CC(C)CCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001038346137 690789495 /nfs/dbraw/zinc/78/94/95/690789495.db2.gz OXCDLNNLQUWFBZ-SJORKVTESA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H]1CN(CCC(=O)NC2CCCC2)CCN1c1cc[nH+]cc1 ZINC000880261510 690854327 /nfs/dbraw/zinc/85/43/27/690854327.db2.gz LLYDPXARFCYIQW-OAHLLOKOSA-N 1 3 316.449 2.041 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCC1 ZINC001038783432 690925616 /nfs/dbraw/zinc/92/56/16/690925616.db2.gz XPBYBFFCLCWTIR-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CCC1 ZINC001038783432 690925618 /nfs/dbraw/zinc/92/56/18/690925618.db2.gz XPBYBFFCLCWTIR-DLBZAZTESA-N 1 3 307.482 2.240 20 0 DEADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCN2CCCC2CCCC2)C1 ZINC001039025521 690995759 /nfs/dbraw/zinc/99/57/59/690995759.db2.gz AAVPREGMNSQIBQ-DLBZAZTESA-N 1 3 307.482 2.099 20 0 DEADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCN2CCCC2CCCC2)C1 ZINC001039025521 690995761 /nfs/dbraw/zinc/99/57/61/690995761.db2.gz AAVPREGMNSQIBQ-DLBZAZTESA-N 1 3 307.482 2.099 20 0 DEADHO Cc1ncnc(NCC2(N3CCCCC3)CC[NH+](C)CC2)c1C ZINC000882029044 691204647 /nfs/dbraw/zinc/20/46/47/691204647.db2.gz IYPWTFNWMZTBAX-UHFFFAOYSA-N 1 3 317.481 2.456 20 0 DEADHO CC[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CCC1)C2)N(C)C ZINC001040262359 691222423 /nfs/dbraw/zinc/22/24/23/691222423.db2.gz SOMYBVDCMXIAHN-IEBWSBKVSA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CCC1)C2)N(C)C ZINC001040262359 691222428 /nfs/dbraw/zinc/22/24/28/691222428.db2.gz SOMYBVDCMXIAHN-IEBWSBKVSA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001040394820 691242439 /nfs/dbraw/zinc/24/24/39/691242439.db2.gz LQNUUMVORZNDOD-MJGOQNOKSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)C[N@H+]1CCC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001040394820 691242442 /nfs/dbraw/zinc/24/24/42/691242442.db2.gz LQNUUMVORZNDOD-MJGOQNOKSA-N 1 3 321.509 2.299 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CC3CCC3)C2)C1)N(C)C ZINC001041645682 691404854 /nfs/dbraw/zinc/40/48/54/691404854.db2.gz MFTZCUQGZIHTIY-IEBWSBKVSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1)N(C)C ZINC001041645682 691404856 /nfs/dbraw/zinc/40/48/56/691404856.db2.gz MFTZCUQGZIHTIY-IEBWSBKVSA-N 1 3 321.509 2.297 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001041674050 691408727 /nfs/dbraw/zinc/40/87/27/691408727.db2.gz HOAJHNAEYOXOEM-LPHOPBHVSA-N 1 3 319.493 2.195 20 0 DEADHO C[C@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001041674050 691408729 /nfs/dbraw/zinc/40/87/29/691408729.db2.gz HOAJHNAEYOXOEM-LPHOPBHVSA-N 1 3 319.493 2.195 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CC3CCC3)C2)C1)N(C)C ZINC001041684161 691410054 /nfs/dbraw/zinc/41/00/54/691410054.db2.gz AXBUYIPVUYYYMC-WMZOPIPTSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CC3CCC3)C2)C1)N(C)C ZINC001041684161 691410058 /nfs/dbraw/zinc/41/00/58/691410058.db2.gz AXBUYIPVUYYYMC-WMZOPIPTSA-N 1 3 307.482 2.051 20 0 DEADHO CCCN1CCC([NH2+]Cc2ccc(N3CCNC3=O)cc2)CC1 ZINC000883284301 691471605 /nfs/dbraw/zinc/47/16/05/691471605.db2.gz KIYXNECUMCMQGN-UHFFFAOYSA-N 1 3 316.449 2.180 20 0 DEADHO CN1CC[C@H]([NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)CC1(C)C ZINC000883362968 691489691 /nfs/dbraw/zinc/48/96/91/691489691.db2.gz RVYUADDBESOZKO-DTWKUNHWSA-N 1 3 304.303 2.007 20 0 DEADHO C[NH2+][C@@H](CC(C)C)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000884227944 691687158 /nfs/dbraw/zinc/68/71/58/691687158.db2.gz CHABVAWRMHYJBI-NJAFHUGGSA-N 1 3 317.477 2.400 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CC3CC3)C[C@@H]2C)CC1 ZINC001044790465 691887736 /nfs/dbraw/zinc/88/77/36/691887736.db2.gz CGCGHKVRCHKARJ-RDJZCZTQSA-N 1 3 307.482 2.097 20 0 DEADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CC3CCC3)C[C@@H]2C)CC1 ZINC001044790132 691887877 /nfs/dbraw/zinc/88/78/77/691887877.db2.gz BPIFCGVPMULSEG-WMZOPIPTSA-N 1 3 321.509 2.488 20 0 DEADHO C[C@@H](C[NH2+][C@H]1CCOC2(CCOCC2)C1)CN1CCCCC1 ZINC000885927799 691964155 /nfs/dbraw/zinc/96/41/55/691964155.db2.gz YHFSRMVDRRZQLO-IRXDYDNUSA-N 1 3 310.482 2.426 20 0 DEADHO CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001045947522 692059648 /nfs/dbraw/zinc/05/96/48/692059648.db2.gz MDLKPPZZZDGQPC-AEFFLSMTSA-N 1 3 309.498 2.441 20 0 DEADHO CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001045947522 692059650 /nfs/dbraw/zinc/05/96/50/692059650.db2.gz MDLKPPZZZDGQPC-AEFFLSMTSA-N 1 3 309.498 2.441 20 0 DEADHO C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CN[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)O2 ZINC000886335695 692060038 /nfs/dbraw/zinc/06/00/38/692060038.db2.gz GNUQPWOLXFFDKN-SISKNIMQSA-N 1 3 308.466 2.175 20 0 DEADHO C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CN[C@@H]1CC[N@H+]3CCC[C@@H]3C1)O2 ZINC000886335695 692060040 /nfs/dbraw/zinc/06/00/40/692060040.db2.gz GNUQPWOLXFFDKN-SISKNIMQSA-N 1 3 308.466 2.175 20 0 DEADHO CC[C@H](F)CN1CC[C@](C)(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046450835 692190901 /nfs/dbraw/zinc/19/09/01/692190901.db2.gz WSQORAQAFPYHHT-YOEHRIQHSA-N 1 3 318.396 2.277 20 0 DEADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C[C@H](O)Cc1ccccc1 ZINC000887135069 692288381 /nfs/dbraw/zinc/28/83/81/692288381.db2.gz VRVCCENRDAOPIA-VQIMIIECSA-N 1 3 311.429 2.196 20 0 DEADHO CCC[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001046854379 692317898 /nfs/dbraw/zinc/31/78/98/692317898.db2.gz KGXIGFSLKKEOBY-GOSISDBHSA-N 1 3 303.450 2.352 20 0 DEADHO CCC[N@H+]1CC[C@@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001046854379 692317902 /nfs/dbraw/zinc/31/79/02/692317902.db2.gz KGXIGFSLKKEOBY-GOSISDBHSA-N 1 3 303.450 2.352 20 0 DEADHO CC[NH+]1CCC([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001047241431 692400789 /nfs/dbraw/zinc/40/07/89/692400789.db2.gz CIGOAZSUGSASLF-KRWDZBQOSA-N 1 3 321.509 2.441 20 0 DEADHO CC[NH+]1CCC([C@H]2CCCN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001047255541 692403126 /nfs/dbraw/zinc/40/31/26/692403126.db2.gz ARMQJNHQEDRTLA-AEFFLSMTSA-N 1 3 321.509 2.299 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2C1 ZINC001049231724 692795158 /nfs/dbraw/zinc/79/51/58/692795158.db2.gz JGSOZGJXGXDRFK-LVYXFOGZSA-N 1 3 319.493 2.050 20 0 DEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2C[N@H+](CC3CCC3)C[C@@H]2C1 ZINC001049231724 692795159 /nfs/dbraw/zinc/79/51/59/692795159.db2.gz JGSOZGJXGXDRFK-LVYXFOGZSA-N 1 3 319.493 2.050 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCC(C)C)C[C@@H]2C1 ZINC001049234317 692796601 /nfs/dbraw/zinc/79/66/01/692796601.db2.gz DCFGZKPOONDZBC-FGTMMUONSA-N 1 3 321.509 2.297 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCC(C)C)C[C@@H]2C1 ZINC001049234317 692796604 /nfs/dbraw/zinc/79/66/04/692796604.db2.gz DCFGZKPOONDZBC-FGTMMUONSA-N 1 3 321.509 2.297 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC[N@@H+]2CCC(C)(C)C2)c1 ZINC000890075196 692854394 /nfs/dbraw/zinc/85/43/94/692854394.db2.gz CDLSZYXMEYURIM-UHFFFAOYSA-N 1 3 303.450 2.210 20 0 DEADHO CN(C)Cc1cccc(C(=O)NCC[N@H+]2CCC(C)(C)C2)c1 ZINC000890075196 692854401 /nfs/dbraw/zinc/85/44/01/692854401.db2.gz CDLSZYXMEYURIM-UHFFFAOYSA-N 1 3 303.450 2.210 20 0 DEADHO CC1(C)CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000890075941 692854975 /nfs/dbraw/zinc/85/49/75/692854975.db2.gz UGMHUPCPUGNMQA-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CC1(C)CCN(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000890075941 692854980 /nfs/dbraw/zinc/85/49/80/692854980.db2.gz UGMHUPCPUGNMQA-INIZCTEOSA-N 1 3 307.482 2.242 20 0 DEADHO CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001049531955 692913856 /nfs/dbraw/zinc/91/38/56/692913856.db2.gz FOSDHTHXDHNDLX-BBWFWOEESA-N 1 3 309.498 2.438 20 0 DEADHO CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001049531955 692913860 /nfs/dbraw/zinc/91/38/60/692913860.db2.gz FOSDHTHXDHNDLX-BBWFWOEESA-N 1 3 309.498 2.438 20 0 DEADHO CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001050158644 693125174 /nfs/dbraw/zinc/12/51/74/693125174.db2.gz UKEFCZDPBMKAGV-IXDOHACOSA-N 1 3 307.482 2.194 20 0 DEADHO CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001050158644 693125176 /nfs/dbraw/zinc/12/51/76/693125176.db2.gz UKEFCZDPBMKAGV-IXDOHACOSA-N 1 3 307.482 2.194 20 0 DEADHO CN(C)[C@@H](C(=O)N1CC2(C1)CC[NH+](CC1CCC1)CC2)C1CC1 ZINC001050542518 693203864 /nfs/dbraw/zinc/20/38/64/693203864.db2.gz FESKHTQDKBNQNI-QGZVFWFLSA-N 1 3 319.493 2.051 20 0 DEADHO CCN1CCCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCOC ZINC000925025477 693215162 /nfs/dbraw/zinc/21/51/62/693215162.db2.gz BTWLFBRGCHNSLT-HQSKLWIPSA-N 1 3 309.498 2.092 20 0 DEADHO Cc1noc(C)c1[C@@H](C)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000925038495 693216857 /nfs/dbraw/zinc/21/68/57/693216857.db2.gz FJZFYSYQJJZUBA-DOMZBBRYSA-N 1 3 306.454 2.111 20 0 DEADHO C[C@@H]1[C@H](NC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)CCN1C ZINC000925060675 693220849 /nfs/dbraw/zinc/22/08/49/693220849.db2.gz OCPJJEKZXNLPHA-JBCIKUTRSA-N 1 3 322.497 2.175 20 0 DEADHO CCCC[NH+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001050661213 693226586 /nfs/dbraw/zinc/22/65/86/693226586.db2.gz PZNOKZSPVBXCDS-UHFFFAOYSA-N 1 3 321.509 2.443 20 0 DEADHO Cc1ncc2c(n1)CC[C@@H](N[C@H]1[C@@H]3CCC[NH2+][C@@H]3C1(C)C)C2 ZINC000925535046 693290885 /nfs/dbraw/zinc/29/08/85/693290885.db2.gz BGEBCPUGHJITJX-JHNDHUHGSA-N 1 3 300.450 2.009 20 0 DEADHO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@H]1[C@@H]3CCCN[C@@H]3C1(C)C)C2 ZINC000925535046 693290888 /nfs/dbraw/zinc/29/08/88/693290888.db2.gz BGEBCPUGHJITJX-JHNDHUHGSA-N 1 3 300.450 2.009 20 0 DEADHO CC(C)c1nc2n(n1)C[C@@H](N[C@@H]1[C@@H]3CCC[NH2+][C@@H]3C1(C)C)CC2 ZINC000925620804 693310172 /nfs/dbraw/zinc/31/01/72/693310172.db2.gz IEXGUYGSDNVKCO-LQKXBSAESA-N 1 3 317.481 2.083 20 0 DEADHO Cn1ccnc1[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CCO1 ZINC000925686336 693324643 /nfs/dbraw/zinc/32/46/43/693324643.db2.gz UFRSTSDFHHBFRZ-OWYFMNJBSA-N 1 3 318.465 2.006 20 0 DEADHO Cn1ccnc1[C@@H]1C[C@H](N[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCO1 ZINC000925686336 693324649 /nfs/dbraw/zinc/32/46/49/693324649.db2.gz UFRSTSDFHHBFRZ-OWYFMNJBSA-N 1 3 318.465 2.006 20 0 DEADHO Cn1nccc1[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CCO1 ZINC000925689967 693325220 /nfs/dbraw/zinc/32/52/20/693325220.db2.gz IYDWELIJLZKLRX-DRANZPFZSA-N 1 3 318.465 2.006 20 0 DEADHO Cn1nccc1[C@@H]1C[C@H](N[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCO1 ZINC000925689967 693325223 /nfs/dbraw/zinc/32/52/23/693325223.db2.gz IYDWELIJLZKLRX-DRANZPFZSA-N 1 3 318.465 2.006 20 0 DEADHO N[C@H]1C[C@H]([NH2+][C@H]2C[C@H](C(=O)OCc3ccccc3)C2)C12CCC2 ZINC000925729414 693330997 /nfs/dbraw/zinc/33/09/97/693330997.db2.gz PWFVLKJMAQWSLC-QAETUUGQSA-N 1 3 314.429 2.368 20 0 DEADHO C[C@H](NCc1cc(N)ccn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000925772545 693338908 /nfs/dbraw/zinc/33/89/08/693338908.db2.gz TYMJDYFRUXODHB-AWEZNQCLSA-N 1 3 314.433 2.455 20 0 DEADHO CCC[C@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccnc1 ZINC000925853112 693354432 /nfs/dbraw/zinc/35/44/32/693354432.db2.gz YRLRLZFZINOIBJ-CVEARBPZSA-N 1 3 317.433 2.198 20 0 DEADHO C[C@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(F)c(F)c1 ZINC000925855432 693354715 /nfs/dbraw/zinc/35/47/15/693354715.db2.gz OFLFGHHDNXRJFE-WCQYABFASA-N 1 3 324.371 2.301 20 0 DEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000926833855 693517031 /nfs/dbraw/zinc/51/70/31/693517031.db2.gz PFVPBJVEEXUUHJ-KDJGIRDZSA-N 1 3 323.481 2.220 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C/C=C\Cl)CC2)CC[N@@H+]1C ZINC001052393831 693522731 /nfs/dbraw/zinc/52/27/31/693522731.db2.gz RNYQYZKVKVOVEV-SRYHWWBHSA-N 1 3 313.873 2.050 20 0 DEADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C/C=C\Cl)CC2)CC[N@H+]1C ZINC001052393831 693522735 /nfs/dbraw/zinc/52/27/35/693522735.db2.gz RNYQYZKVKVOVEV-SRYHWWBHSA-N 1 3 313.873 2.050 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CCC[N@H+](CC2CCC2)CC1 ZINC001052716492 693601632 /nfs/dbraw/zinc/60/16/32/693601632.db2.gz NKPRURFSUFPOTL-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC001052716492 693601634 /nfs/dbraw/zinc/60/16/34/693601634.db2.gz NKPRURFSUFPOTL-WBVHZDCISA-N 1 3 307.482 2.242 20 0 DEADHO CC(C)[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053037902 693674636 /nfs/dbraw/zinc/67/46/36/693674636.db2.gz CJFZWZLSJNEROW-HOTGVXAUSA-N 1 3 318.465 2.311 20 0 DEADHO CC(C)[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053037902 693674639 /nfs/dbraw/zinc/67/46/39/693674639.db2.gz CJFZWZLSJNEROW-HOTGVXAUSA-N 1 3 318.465 2.311 20 0 DEADHO CCC[NH+]1CCC(C)(CNC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001402212826 1162291993 /nfs/dbraw/zinc/29/19/93/1162291993.db2.gz YPAREEANWBUXOJ-HZPDHXFCSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H]1CN(CCCC[NH2+]C[C@@H](O)c2cccc(F)c2)C[C@H](C)O1 ZINC001335349933 1150398410 /nfs/dbraw/zinc/39/84/10/1150398410.db2.gz AILHVXDYYXLJCI-RVKKMQEKSA-N 1 3 324.440 2.338 20 0 DEADHO CC[C@H](OCC[NH2+]C[C@@H](O)CN1CCCC1)c1ccccc1 ZINC001336003274 1150587508 /nfs/dbraw/zinc/58/75/08/1150587508.db2.gz OJMMSJYCWMFMBO-MSOLQXFVSA-N 1 3 306.450 2.201 20 0 DEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC001001910531 1151776588 /nfs/dbraw/zinc/77/65/88/1151776588.db2.gz FCQRBDJMBJKNLI-GOSISDBHSA-N 1 3 321.509 2.488 20 0 DEADHO CC1CC[NH+](CC[C@H]2CCCN2CCCN2CCOCC2)CC1 ZINC001414037657 1152541302 /nfs/dbraw/zinc/54/13/02/1152541302.db2.gz RRDSNIYYEXDIFP-LJQANCHMSA-N 1 3 323.525 2.295 20 0 DEADHO CC1CCN(CC[C@H]2CCC[N@@H+]2CCCN2CCOCC2)CC1 ZINC001414037657 1152541309 /nfs/dbraw/zinc/54/13/09/1152541309.db2.gz RRDSNIYYEXDIFP-LJQANCHMSA-N 1 3 323.525 2.295 20 0 DEADHO CC1CCN(CC[C@H]2CCC[N@H+]2CCCN2CCOCC2)CC1 ZINC001414037657 1152541318 /nfs/dbraw/zinc/54/13/18/1152541318.db2.gz RRDSNIYYEXDIFP-LJQANCHMSA-N 1 3 323.525 2.295 20 0 DEADHO CN(CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC2)C1)CC(C)(C)C ZINC001379671343 1152669782 /nfs/dbraw/zinc/66/97/82/1152669782.db2.gz BNSNNOQLXROGFQ-HOTGVXAUSA-N 1 3 309.498 2.249 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+]1CC1CC2(CCC2)C1)N(C)C ZINC001380021339 1152733024 /nfs/dbraw/zinc/73/30/24/1152733024.db2.gz OXPWZHDMYIJKNT-IAGOWNOFSA-N 1 3 321.509 2.343 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+]1CC1CC2(CCC2)C1)N(C)C ZINC001380021339 1152733025 /nfs/dbraw/zinc/73/30/25/1152733025.db2.gz OXPWZHDMYIJKNT-IAGOWNOFSA-N 1 3 321.509 2.343 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1cccnc1)C(C)(C)C)N(C)C ZINC001380075331 1152746253 /nfs/dbraw/zinc/74/62/53/1152746253.db2.gz XWEOQATUZAIZFO-CVEARBPZSA-N 1 3 320.481 2.042 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]Cc2cc(C)cc(C)c2)CC1)N(C)C ZINC001380105519 1152750748 /nfs/dbraw/zinc/75/07/48/1152750748.db2.gz SPPHTVKLPCRNDX-QGZVFWFLSA-N 1 3 317.477 2.382 20 0 DEADHO Cc1ccc(C[NH2+]C2(CNC(=O)CN3CC[C@@H](C)C3)CC2)cc1 ZINC001380144461 1152756355 /nfs/dbraw/zinc/75/63/55/1152756355.db2.gz ZQNTVJDVWSZUIO-MRXNPFEDSA-N 1 3 315.461 2.075 20 0 DEADHO CCC1([NH2+]CC(C)C)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001381023509 1152894394 /nfs/dbraw/zinc/89/43/94/1152894394.db2.gz SOISRFRKEJGUQV-MRXNPFEDSA-N 1 3 309.498 2.345 20 0 DEADHO C[C@@H](NCc1cc2ccccc2o1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001381416930 1153049471 /nfs/dbraw/zinc/04/94/71/1153049471.db2.gz IHAKOWXADZBLIW-KGLIPLIRSA-N 1 3 317.433 2.367 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+]C[C@H](F)CC ZINC001402894237 1162522477 /nfs/dbraw/zinc/52/24/77/1162522477.db2.gz JNVZTHUVFPLFME-CABCVRRESA-N 1 3 301.450 2.047 20 0 DEADHO C[NH+](C)[C@@H]1C[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1(C)C ZINC001362827205 1153106017 /nfs/dbraw/zinc/10/60/17/1153106017.db2.gz MDVLTOGVMQLLEE-PBFPGSCMSA-N 1 3 313.461 2.044 20 0 DEADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC001362854368 1153115990 /nfs/dbraw/zinc/11/59/90/1153115990.db2.gz IVVGXKIHBYYARW-USXIJHARSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H](C)[N@H+](C)CCc1ccccc1)N(C)C ZINC001381565898 1153130301 /nfs/dbraw/zinc/13/03/01/1153130301.db2.gz AIQMVLKOJOGMAV-FUHWJXTLSA-N 1 3 319.493 2.252 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H](C)[N@@H+](C)CCc1ccccc1)N(C)C ZINC001381565898 1153130305 /nfs/dbraw/zinc/13/03/05/1153130305.db2.gz AIQMVLKOJOGMAV-FUHWJXTLSA-N 1 3 319.493 2.252 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001381976692 1153299948 /nfs/dbraw/zinc/29/99/48/1153299948.db2.gz WZKUDIVXSJHXDK-FVQBIDKESA-N 1 3 309.498 2.247 20 0 DEADHO CN(C(=O)C(C)(C)N1CCCCC1)[C@H](C[NH2+]CC1CC1)C1CC1 ZINC001382019838 1153320569 /nfs/dbraw/zinc/32/05/69/1153320569.db2.gz ZYRLDCQBAGWHQI-QGZVFWFLSA-N 1 3 321.509 2.488 20 0 DEADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](NC[C@@H](F)CC)C(C)(C)C1 ZINC001382377214 1153439260 /nfs/dbraw/zinc/43/92/60/1153439260.db2.gz LXTBITWZEBHWCG-LSDHHAIUSA-N 1 3 315.477 2.293 20 0 DEADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC[C@@H](F)CC)C(C)(C)C1 ZINC001382377214 1153439263 /nfs/dbraw/zinc/43/92/63/1153439263.db2.gz LXTBITWZEBHWCG-LSDHHAIUSA-N 1 3 315.477 2.293 20 0 DEADHO CN(C)CC[N@H+](C)CCCN(C)Cc1cccn1C(F)F ZINC001363596654 1153478289 /nfs/dbraw/zinc/47/82/89/1153478289.db2.gz HYZCYIKVVWVWKP-UHFFFAOYSA-N 1 3 302.413 2.199 20 0 DEADHO CN(C)CC[N@@H+](C)CCCN(C)Cc1cccn1C(F)F ZINC001363596654 1153478294 /nfs/dbraw/zinc/47/82/94/1153478294.db2.gz HYZCYIKVVWVWKP-UHFFFAOYSA-N 1 3 302.413 2.199 20 0 DEADHO CC[C@H](C(=O)NC1(C2CC[NH+](CCC3CC3)CC2)CC1)N(C)C ZINC001382594004 1153478352 /nfs/dbraw/zinc/47/83/52/1153478352.db2.gz QABXRNHPVLIULZ-QGZVFWFLSA-N 1 3 321.509 2.488 20 0 DEADHO CCN1CCC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC001363650697 1153527449 /nfs/dbraw/zinc/52/74/49/1153527449.db2.gz LWJOXGXPTTTZQN-LJQANCHMSA-N 1 3 316.493 2.368 20 0 DEADHO CC[C@H](C(=O)N[C@@H]1CC12CC[NH+](CC1CCC1)CC2)N(C)C ZINC001389532492 1155363188 /nfs/dbraw/zinc/36/31/88/1155363188.db2.gz SGQRZBYTQNJLPE-HZPDHXFCSA-N 1 3 307.482 2.097 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001390156045 1155547929 /nfs/dbraw/zinc/54/79/29/1155547929.db2.gz DGOVOHDADQAVFJ-XJKSGUPXSA-N 1 3 318.465 2.277 20 0 DEADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001390156045 1155547931 /nfs/dbraw/zinc/54/79/31/1155547931.db2.gz DGOVOHDADQAVFJ-XJKSGUPXSA-N 1 3 318.465 2.277 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCc2ccccc21 ZINC001390407386 1155704743 /nfs/dbraw/zinc/70/47/43/1155704743.db2.gz UGCAIGVVEPTYPQ-YOEHRIQHSA-N 1 3 315.461 2.253 20 0 DEADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@@H](C)c1ccccc1F ZINC001390466147 1155737313 /nfs/dbraw/zinc/73/73/13/1155737313.db2.gz UBMHSWPLDNBEHN-KGLIPLIRSA-N 1 3 321.440 2.323 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCCN2C(C)C)cc1 ZINC001371176174 1155762028 /nfs/dbraw/zinc/76/20/28/1155762028.db2.gz IDWZLXZRBAVIOM-WMZOPIPTSA-N 1 3 317.477 2.462 20 0 DEADHO Cc1cccc(C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001390512740 1155777726 /nfs/dbraw/zinc/77/77/26/1155777726.db2.gz XDUQEFFXBXAVTF-RDJZCZTQSA-N 1 3 305.466 2.176 20 0 DEADHO Cc1ccc(C[NH2+][C@@H](C)CNC(=O)CN(C)C2CCC2)cc1F ZINC001371212918 1155789741 /nfs/dbraw/zinc/78/97/41/1155789741.db2.gz OTCMJKHKQTVPAS-AWEZNQCLSA-N 1 3 321.440 2.213 20 0 DEADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]C/C=C\c1ccccc1 ZINC001371213983 1155790643 /nfs/dbraw/zinc/79/06/43/1155790643.db2.gz SKSAIXYPBPMYQU-BSDKJSHOSA-N 1 3 315.461 2.278 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC001390531973 1155797100 /nfs/dbraw/zinc/79/71/00/1155797100.db2.gz FXZYZHHCKGXBPS-WMLDXEAASA-N 1 3 303.450 2.108 20 0 DEADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001371241715 1155804079 /nfs/dbraw/zinc/80/40/79/1155804079.db2.gz GYZJNIISCKJRFQ-CZUORRHYSA-N 1 3 309.429 2.069 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001371554223 1155870845 /nfs/dbraw/zinc/87/08/45/1155870845.db2.gz CTZKMAJVVBFCCO-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)CCC[N@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001371704121 1155946422 /nfs/dbraw/zinc/94/64/22/1155946422.db2.gz XJCADFHAECTDMD-INIZCTEOSA-N 1 3 306.454 2.311 20 0 DEADHO CC(C)CCC[N@@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001371704121 1155946431 /nfs/dbraw/zinc/94/64/31/1155946431.db2.gz XJCADFHAECTDMD-INIZCTEOSA-N 1 3 306.454 2.311 20 0 DEADHO CCN(CCNC(=O)CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC001390910536 1155949560 /nfs/dbraw/zinc/94/95/60/1155949560.db2.gz CSMDAHRNSQSQBS-GOSISDBHSA-N 1 3 317.477 2.499 20 0 DEADHO CCN(CCNC(=O)CC[C@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC001390910536 1155949570 /nfs/dbraw/zinc/94/95/70/1155949570.db2.gz CSMDAHRNSQSQBS-GOSISDBHSA-N 1 3 317.477 2.499 20 0 DEADHO CC[C@@H](C(=O)NCC[N@H+](CC)Cc1ccc(C)cc1)N(C)C ZINC001390966435 1156015777 /nfs/dbraw/zinc/01/57/77/1156015777.db2.gz RVATVSSUNYEOKU-KRWDZBQOSA-N 1 3 305.466 2.273 20 0 DEADHO CC[C@@H](C(=O)NCC[N@@H+](CC)Cc1ccc(C)cc1)N(C)C ZINC001390966435 1156015780 /nfs/dbraw/zinc/01/57/80/1156015780.db2.gz RVATVSSUNYEOKU-KRWDZBQOSA-N 1 3 305.466 2.273 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)CCCC1CCC1 ZINC001403122564 1162755145 /nfs/dbraw/zinc/75/51/45/1162755145.db2.gz ATPSATNPLXAZCU-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)CCCC1CCC1 ZINC001403122564 1162755164 /nfs/dbraw/zinc/75/51/64/1162755164.db2.gz ATPSATNPLXAZCU-HNNXBMFYSA-N 1 3 309.498 2.488 20 0 DEADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCCF)C1 ZINC001391364052 1156360739 /nfs/dbraw/zinc/36/07/39/1156360739.db2.gz XYFZRTDECQLEGX-JKSUJKDBSA-N 1 3 313.461 2.001 20 0 DEADHO CC(C)C[C@H](C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001391554051 1156530782 /nfs/dbraw/zinc/53/07/82/1156530782.db2.gz SXESYCJZNGJLAP-ULQDDVLXSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)C[C@H](C)C[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001391554051 1156530793 /nfs/dbraw/zinc/53/07/93/1156530793.db2.gz SXESYCJZNGJLAP-ULQDDVLXSA-N 1 3 311.514 2.445 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCC(C)(C)C)C1)N(C)C ZINC001372630688 1156618620 /nfs/dbraw/zinc/61/86/20/1156618620.db2.gz VZGSXWVRYFHZQA-HOTGVXAUSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCC(C)(C)C)C1)N(C)C ZINC001372630688 1156618623 /nfs/dbraw/zinc/61/86/23/1156618623.db2.gz VZGSXWVRYFHZQA-HOTGVXAUSA-N 1 3 311.514 2.447 20 0 DEADHO CC[C@H](C(=O)NCC1([NH2+]CC[C@@H](C)F)CCCC1)N(C)C ZINC001392025060 1156848121 /nfs/dbraw/zinc/84/81/21/1156848121.db2.gz VDILDJNSKGLDPF-ZIAGYGMSSA-N 1 3 301.450 2.093 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001392097736 1156867136 /nfs/dbraw/zinc/86/71/36/1156867136.db2.gz CZTCOEXMGXPRFS-PBHICJAKSA-N 1 3 323.456 2.411 20 0 DEADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001392099295 1156867425 /nfs/dbraw/zinc/86/74/25/1156867425.db2.gz IWSUTVKBZRGLKQ-PBHICJAKSA-N 1 3 323.456 2.411 20 0 DEADHO CC(C)C[C@H](C)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001403247825 1162827182 /nfs/dbraw/zinc/82/71/82/1162827182.db2.gz AMPYUSKPMUXBAU-IRXDYDNUSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)[C@@H](C(=O)NCC1CN([C@H](C)c2ccccc2)C1)[NH+](C)C ZINC001373547707 1157091079 /nfs/dbraw/zinc/09/10/79/1157091079.db2.gz WAIXXBYSAYUTKZ-QAPCUYQASA-N 1 3 317.477 2.382 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001392536955 1157097964 /nfs/dbraw/zinc/09/79/64/1157097964.db2.gz NWJFQTXDXJGQBT-CQSZACIVSA-N 1 3 316.449 2.102 20 0 DEADHO COc1cccc([C@H](C)N(C)C[C@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001392685691 1157336608 /nfs/dbraw/zinc/33/66/08/1157336608.db2.gz JQEMNOLCQOPLPE-GJZGRUSLSA-N 1 3 321.465 2.144 20 0 DEADHO CN(CC(=O)N[C@@H](C[NH2+]Cc1ccccc1)C1CC1)C1CCC1 ZINC001392775676 1157403930 /nfs/dbraw/zinc/40/39/30/1157403930.db2.gz PILLXPSOIAJFBC-SFHVURJKSA-N 1 3 315.461 2.155 20 0 DEADHO Cc1ccc(C[NH2+]C[C@H](NC(=O)CN(C)C(C)C)C2CC2)cc1 ZINC001392800295 1157424707 /nfs/dbraw/zinc/42/47/07/1157424707.db2.gz LOLGWGMSHHBZHK-SFHVURJKSA-N 1 3 317.477 2.320 20 0 DEADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001403412831 1162875760 /nfs/dbraw/zinc/87/57/60/1162875760.db2.gz NGXSTMVROQDIMK-YOEHRIQHSA-N 1 3 323.456 2.396 20 0 DEADHO CC[C@H](C)C[NH2+]C[C@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001393051421 1157633892 /nfs/dbraw/zinc/63/38/92/1157633892.db2.gz FRLBESQTOZRWLZ-DOTOQJQBSA-N 1 3 309.498 2.345 20 0 DEADHO CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)CN(C)C(C)C)CC2 ZINC001374192157 1157708075 /nfs/dbraw/zinc/70/80/75/1157708075.db2.gz XQERUHWJYNJEHL-INIZCTEOSA-N 1 3 309.498 2.297 20 0 DEADHO CC(C)[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001393158728 1157727973 /nfs/dbraw/zinc/72/79/73/1157727973.db2.gz JNPIATNDARDFLO-WMZOPIPTSA-N 1 3 309.498 2.486 20 0 DEADHO Cc1cc(C[NH2+]C[C@H](C)N(C)C(=O)CN2CC[C@@H](C)C2)cs1 ZINC001374280012 1157800013 /nfs/dbraw/zinc/80/00/13/1157800013.db2.gz KOZPVCNNFCDNRC-KGLIPLIRSA-N 1 3 323.506 2.335 20 0 DEADHO Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C(C)C)cs1 ZINC001374333738 1157816443 /nfs/dbraw/zinc/81/64/43/1157816443.db2.gz ZEADVAQEBLNTBJ-CYBMUJFWSA-N 1 3 311.495 2.333 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccsc2)[C@H](C)C1 ZINC001374381809 1157833772 /nfs/dbraw/zinc/83/37/72/1157833772.db2.gz HAKJEWQMCVHJQR-ZBFHGGJFSA-N 1 3 323.506 2.417 20 0 DEADHO CC[C@@H](F)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001393490701 1157841801 /nfs/dbraw/zinc/84/18/01/1157841801.db2.gz NFBCDJZFTAJPKL-KLHDSHLOSA-N 1 3 315.477 2.339 20 0 DEADHO CN(CCC[N@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)CN1CCCC1 ZINC001393643579 1157892543 /nfs/dbraw/zinc/89/25/43/1157892543.db2.gz IQZQOHNATGMFDB-FGTMMUONSA-N 1 3 321.509 2.299 20 0 DEADHO CN(CCC[N@@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)CN1CCCC1 ZINC001393643579 1157892544 /nfs/dbraw/zinc/89/25/44/1157892544.db2.gz IQZQOHNATGMFDB-FGTMMUONSA-N 1 3 321.509 2.299 20 0 DEADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCc2ccccc21)N(C)C ZINC001374813343 1158039465 /nfs/dbraw/zinc/03/94/65/1158039465.db2.gz GDIBCGNFBZLOEZ-COXVUDFISA-N 1 3 303.450 2.108 20 0 DEADHO CCc1ccccc1C[NH2+]C[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001374934187 1158099879 /nfs/dbraw/zinc/09/98/79/1158099879.db2.gz VWNLLZQXJXWEJV-CVEARBPZSA-N 1 3 317.477 2.185 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001394000756 1158151598 /nfs/dbraw/zinc/15/15/98/1158151598.db2.gz MFHCUFYRXSJCKF-ZIAGYGMSSA-N 1 3 309.429 2.149 20 0 DEADHO CC(C)[C@H](C(=O)N(C)CC(C)(C)C[NH2+]CC1CCC1)N(C)C ZINC001394031860 1158179456 /nfs/dbraw/zinc/17/94/56/1158179456.db2.gz DVLDMTVFEZSRGQ-MRXNPFEDSA-N 1 3 311.514 2.447 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[N@H+](C)CCc1ccccc1 ZINC001375161489 1158362064 /nfs/dbraw/zinc/36/20/64/1158362064.db2.gz VKCSDXCFYGBRAF-MRXNPFEDSA-N 1 3 305.466 2.006 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)C[N@@H+](C)CCc1ccccc1 ZINC001375161489 1158362073 /nfs/dbraw/zinc/36/20/73/1158362073.db2.gz VKCSDXCFYGBRAF-MRXNPFEDSA-N 1 3 305.466 2.006 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccccc2)C(C)(C)C1 ZINC001394727533 1158729833 /nfs/dbraw/zinc/72/98/33/1158729833.db2.gz ULCLKYBRCHLDOZ-QGZVFWFLSA-N 1 3 317.477 2.353 20 0 DEADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001394857973 1158815967 /nfs/dbraw/zinc/81/59/67/1158815967.db2.gz ATAURQRNHCCOIX-JCYILVPMSA-N 1 3 321.509 2.486 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@]2(CC[N@H+](CC3CC(C)C3)C2)C1 ZINC001375641915 1158835972 /nfs/dbraw/zinc/83/59/72/1158835972.db2.gz KQKQRIGUEFFPKJ-TVPLGVNVSA-N 1 3 321.509 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@]2(CC[N@@H+](CC3CC(C)C3)C2)C1 ZINC001375641915 1158835977 /nfs/dbraw/zinc/83/59/77/1158835977.db2.gz KQKQRIGUEFFPKJ-TVPLGVNVSA-N 1 3 321.509 2.297 20 0 DEADHO CN(C)C1(C(=O)NCC2(C)CC[NH+](CC3CCC3)CC2)CCC1 ZINC001375910986 1158965270 /nfs/dbraw/zinc/96/52/70/1158965270.db2.gz MUKJIWRVYPMHDF-UHFFFAOYSA-N 1 3 321.509 2.489 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[N@H+](CC(C)C)CCC1(F)F)N(C)C ZINC001375988124 1159038456 /nfs/dbraw/zinc/03/84/56/1159038456.db2.gz KFXUGKHXJGHJNP-KBPBESRZSA-N 1 3 319.440 2.056 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCC1(F)F)N(C)C ZINC001375988124 1159038462 /nfs/dbraw/zinc/03/84/62/1159038462.db2.gz KFXUGKHXJGHJNP-KBPBESRZSA-N 1 3 319.440 2.056 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)C1)N(C)C ZINC001376065999 1159082129 /nfs/dbraw/zinc/08/21/29/1159082129.db2.gz WJYKOYHSSZBVND-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)C1)N(C)C ZINC001376065999 1159082135 /nfs/dbraw/zinc/08/21/35/1159082135.db2.gz WJYKOYHSSZBVND-SJORKVTESA-N 1 3 309.498 2.343 20 0 DEADHO CC[C@H](C(=O)NC[C@H]([NH2+]Cc1cccc(C)c1)C1CC1)N(C)C ZINC001376262401 1159300810 /nfs/dbraw/zinc/30/08/10/1159300810.db2.gz OVCUSSHVHDMDPA-ZWKOTPCHSA-N 1 3 317.477 2.320 20 0 DEADHO CC[N@H+](C)Cc1ccccc1CNC(=O)CN(C)C1CCC1 ZINC001376563349 1159542950 /nfs/dbraw/zinc/54/29/50/1159542950.db2.gz RVXQBEKQNZWDJR-UHFFFAOYSA-N 1 3 303.450 2.239 20 0 DEADHO CC[N@@H+](C)Cc1ccccc1CNC(=O)CN(C)C1CCC1 ZINC001376563349 1159542953 /nfs/dbraw/zinc/54/29/53/1159542953.db2.gz RVXQBEKQNZWDJR-UHFFFAOYSA-N 1 3 303.450 2.239 20 0 DEADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[NH+](CC1CCC1)CC2 ZINC001376612299 1159598103 /nfs/dbraw/zinc/59/81/03/1159598103.db2.gz HBAQBJDCSUFFIC-UHFFFAOYSA-N 1 3 307.482 2.051 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3ccccc3)C[C@H]21)N(C)C ZINC001376648258 1159635915 /nfs/dbraw/zinc/63/59/15/1159635915.db2.gz HXCYMBRNHMNUIL-MWIANEHASA-N 1 3 315.461 2.134 20 0 DEADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3ccccc3)C[C@H]21)N(C)C ZINC001376648258 1159635926 /nfs/dbraw/zinc/63/59/26/1159635926.db2.gz HXCYMBRNHMNUIL-MWIANEHASA-N 1 3 315.461 2.134 20 0 DEADHO CCc1ccccc1C[NH2+][C@H](C)CNC(=O)[C@H](CC)N(C)C ZINC001376809524 1159809111 /nfs/dbraw/zinc/80/91/11/1159809111.db2.gz JXPVUJVMKRSYCQ-PBHICJAKSA-N 1 3 305.466 2.184 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]CC[C@H]1CCCC1(F)F ZINC001376885712 1159832596 /nfs/dbraw/zinc/83/25/96/1159832596.db2.gz WJTXNJFAUMLTDO-ZIAGYGMSSA-N 1 3 319.440 2.246 20 0 DEADHO CN(CCCN(C)C(=O)C1CC[NH+](C)CC1)CCC(F)(F)F ZINC001376972732 1159860162 /nfs/dbraw/zinc/86/01/62/1159860162.db2.gz RRILJIVUWBRZHJ-UHFFFAOYSA-N 1 3 323.403 2.061 20 0 DEADHO Cc1ccc(F)c(C[NH2+][C@@H](C)CCNC(=O)CN(C)C(C)C)c1 ZINC001377102790 1159899789 /nfs/dbraw/zinc/89/97/89/1159899789.db2.gz AVRWHWNXGGTXTH-HNNXBMFYSA-N 1 3 323.456 2.459 20 0 DEADHO CC[C@H](C)C[N@H+](C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001403686143 1163089343 /nfs/dbraw/zinc/08/93/43/1163089343.db2.gz MPQQJNUTNYZEDD-YOEHRIQHSA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@H](C)C[N@@H+](C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001403686143 1163089351 /nfs/dbraw/zinc/08/93/51/1163089351.db2.gz MPQQJNUTNYZEDD-YOEHRIQHSA-N 1 3 315.477 2.293 20 0 DEADHO CC[C@H](C(=O)NCC[N@H+](C)[C@H]1CCc2c1cccc2F)N(C)C ZINC001377306564 1160179557 /nfs/dbraw/zinc/17/95/57/1160179557.db2.gz VPNMEBWDJJSMDT-SJORKVTESA-N 1 3 321.440 2.201 20 0 DEADHO CC[C@H](C(=O)NCC[N@@H+](C)[C@H]1CCc2c1cccc2F)N(C)C ZINC001377306564 1160179569 /nfs/dbraw/zinc/17/95/69/1160179569.db2.gz VPNMEBWDJJSMDT-SJORKVTESA-N 1 3 321.440 2.201 20 0 DEADHO O=C(C[NH+]1CCCC1)NC[C@H]1CCCN1Cc1cccc(F)c1 ZINC001377423336 1160354271 /nfs/dbraw/zinc/35/42/71/1160354271.db2.gz CMGVFJJYRVSVLT-QGZVFWFLSA-N 1 3 319.424 2.002 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2cccc(F)c2)C1)N(C)C ZINC001377469419 1160398434 /nfs/dbraw/zinc/39/84/34/1160398434.db2.gz QVXGFCDMWDUEBI-NVXWUHKLSA-N 1 3 321.440 2.104 20 0 DEADHO CC[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2cccc(F)c2)C1)N(C)C ZINC001377469419 1160398440 /nfs/dbraw/zinc/39/84/40/1160398440.db2.gz QVXGFCDMWDUEBI-NVXWUHKLSA-N 1 3 321.440 2.104 20 0 DEADHO CC(C)(C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC2)C1)N1CCCC1 ZINC001397698635 1160406202 /nfs/dbraw/zinc/40/62/02/1160406202.db2.gz FKBOAIVAHYGTQO-JKSUJKDBSA-N 1 3 307.482 2.145 20 0 DEADHO CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)CN(C)C2CCC2)CC1 ZINC001398188288 1160811184 /nfs/dbraw/zinc/81/11/84/1160811184.db2.gz PEYKSKFKSPJSCS-OAHLLOKOSA-N 1 3 309.498 2.440 20 0 DEADHO C[C@@H]1C[C@@H](NC/C=C/Cl)CN1C(=O)CCC[NH+]1CCCC1 ZINC001403768052 1163157654 /nfs/dbraw/zinc/15/76/54/1163157654.db2.gz GYOIDFYYPFJRFA-IPKOWEFYSA-N 1 3 313.873 2.194 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H](C[N@H+](C)C/C=C\Cl)C1 ZINC001398460373 1160897480 /nfs/dbraw/zinc/89/74/80/1160897480.db2.gz PYKJOVFRSAETFR-DNWYELSFSA-N 1 3 313.873 2.004 20 0 DEADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)C/C=C\Cl)C1 ZINC001398460373 1160897481 /nfs/dbraw/zinc/89/74/81/1160897481.db2.gz PYKJOVFRSAETFR-DNWYELSFSA-N 1 3 313.873 2.004 20 0 DEADHO CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CC1)[NH+](CC)CC ZINC001378042428 1160952284 /nfs/dbraw/zinc/95/22/84/1160952284.db2.gz OCXXJJIMUVOBRL-ULQDDVLXSA-N 1 3 307.482 2.192 20 0 DEADHO Cc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001398623685 1161023730 /nfs/dbraw/zinc/02/37/30/1161023730.db2.gz LSPLNZFBEOYGOA-FGTMMUONSA-N 1 3 317.477 2.318 20 0 DEADHO CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001378145686 1161053973 /nfs/dbraw/zinc/05/39/73/1161053973.db2.gz RDAOUHLANRALEW-YOEHRIQHSA-N 1 3 315.477 2.436 20 0 DEADHO CCCC[N@@H+](C)[C@@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001378145686 1161053975 /nfs/dbraw/zinc/05/39/75/1161053975.db2.gz RDAOUHLANRALEW-YOEHRIQHSA-N 1 3 315.477 2.436 20 0 DEADHO CCCC[N@H+](C)[C@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001378145671 1161054077 /nfs/dbraw/zinc/05/40/77/1161054077.db2.gz RDAOUHLANRALEW-PBHICJAKSA-N 1 3 315.477 2.436 20 0 DEADHO CCCC[N@@H+](C)[C@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001378145671 1161054090 /nfs/dbraw/zinc/05/40/90/1161054090.db2.gz RDAOUHLANRALEW-PBHICJAKSA-N 1 3 315.477 2.436 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001398794178 1161104799 /nfs/dbraw/zinc/10/47/99/1161104799.db2.gz IONFZPMOKLSJFZ-GDBMZVCRSA-N 1 3 307.482 2.097 20 0 DEADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001398794178 1161104801 /nfs/dbraw/zinc/10/48/01/1161104801.db2.gz IONFZPMOKLSJFZ-GDBMZVCRSA-N 1 3 307.482 2.097 20 0 DEADHO CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]CC=C(Cl)Cl)N(C)C ZINC001399372502 1161367709 /nfs/dbraw/zinc/36/77/09/1161367709.db2.gz FPGFFPRWFIGIRJ-DGCLKSJQSA-N 1 3 324.296 2.376 20 0 DEADHO CN(CCNC(=O)CC[NH+]1CCCCC1)CCc1cccs1 ZINC001399654941 1161505466 /nfs/dbraw/zinc/50/54/66/1161505466.db2.gz MXDSTPQGYYQVLY-UHFFFAOYSA-N 1 3 323.506 2.215 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CC[N@H+](CC3CC(C)(C)C3)C2)C1 ZINC001399932205 1161610974 /nfs/dbraw/zinc/61/09/74/1161610974.db2.gz MZOYFNISBRGYEV-CVEARBPZSA-N 1 3 321.509 2.203 20 0 DEADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CC[N@@H+](CC3CC(C)(C)C3)C2)C1 ZINC001399932205 1161610977 /nfs/dbraw/zinc/61/09/77/1161610977.db2.gz MZOYFNISBRGYEV-CVEARBPZSA-N 1 3 321.509 2.203 20 0 DEADHO CN(C)C1(C(=O)NCCC2CC[NH+](CCCF)CC2)CCC1 ZINC001401075323 1161867610 /nfs/dbraw/zinc/86/76/10/1161867610.db2.gz MHMACNDZCLNKPF-UHFFFAOYSA-N 1 3 313.461 2.049 20 0 DEADHO C[C@@H](NC[C@H]1CCCN1C(=O)CC[NH+](C)C)c1ccccc1F ZINC001401087626 1161869896 /nfs/dbraw/zinc/86/98/96/1161869896.db2.gz RILZRHLDENERCH-HUUCEWRRSA-N 1 3 321.440 2.419 20 0 DEADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+]Cc1cccc(F)c1 ZINC001401116325 1161876589 /nfs/dbraw/zinc/87/65/89/1161876589.db2.gz RUWKZCVOSJDBBK-AWEZNQCLSA-N 1 3 321.440 2.152 20 0 DEADHO C[C@@H](C[NH2+]CC1CCCCCC1)N(C)C(=O)Cc1c[nH]cn1 ZINC001401240354 1161902083 /nfs/dbraw/zinc/90/20/83/1161902083.db2.gz GMPYQXGDKSHFEX-AWEZNQCLSA-N 1 3 306.454 2.359 20 0 DEADHO Cc1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001401779120 1162125997 /nfs/dbraw/zinc/12/59/97/1162125997.db2.gz ZQBGPNQRUIPHLF-MRXNPFEDSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1ccccc1C[N@H+](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001401779120 1162126000 /nfs/dbraw/zinc/12/60/00/1162126000.db2.gz ZQBGPNQRUIPHLF-MRXNPFEDSA-N 1 3 317.477 2.416 20 0 DEADHO Cc1cc(F)ccc1C[N@@H+](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001401834445 1162148737 /nfs/dbraw/zinc/14/87/37/1162148737.db2.gz YDUBXBGYKJTMMO-HNNXBMFYSA-N 1 3 323.456 2.411 20 0 DEADHO Cc1cc(F)ccc1C[N@H+](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001401834445 1162148739 /nfs/dbraw/zinc/14/87/39/1162148739.db2.gz YDUBXBGYKJTMMO-HNNXBMFYSA-N 1 3 323.456 2.411 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2CCCC(C)(C)C)CC[N@@H+]1C ZINC001401898228 1162171692 /nfs/dbraw/zinc/17/16/92/1162171692.db2.gz YMOAHNSBFYCSQR-OWCLPIDISA-N 1 3 309.498 2.343 20 0 DEADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2CCCC(C)(C)C)CC[N@H+]1C ZINC001401898228 1162171695 /nfs/dbraw/zinc/17/16/95/1162171695.db2.gz YMOAHNSBFYCSQR-OWCLPIDISA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CC2CC(C)(C)C2)C[C@H]1C ZINC001403785308 1163185180 /nfs/dbraw/zinc/18/51/80/1163185180.db2.gz WRQBIEYHRFNUTM-ZBFHGGJFSA-N 1 3 309.498 2.342 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2CC[N@H+](CCC(C)(C)C)C2)CCC1 ZINC001404078454 1163422419 /nfs/dbraw/zinc/42/24/19/1163422419.db2.gz GAHSMHRKQOXUQM-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO CN(C)C1(C(=O)NC[C@H]2CC[N@@H+](CCC(C)(C)C)C2)CCC1 ZINC001404078454 1163422424 /nfs/dbraw/zinc/42/24/24/1163422424.db2.gz GAHSMHRKQOXUQM-OAHLLOKOSA-N 1 3 309.498 2.345 20 0 DEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CN(C)CCF)CC1 ZINC001404619764 1163756395 /nfs/dbraw/zinc/75/63/95/1163756395.db2.gz VWVGIBGUMABYJZ-MRXNPFEDSA-N 1 3 313.461 2.001 20 0 DEADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(CN(C)CCF)CC1 ZINC001404619764 1163756402 /nfs/dbraw/zinc/75/64/02/1163756402.db2.gz VWVGIBGUMABYJZ-MRXNPFEDSA-N 1 3 313.461 2.001 20 0 DEADHO Cc1cccc(CN2CCC[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001404712559 1163795629 /nfs/dbraw/zinc/79/56/29/1163795629.db2.gz JDABYFOCHZCQHR-SFHVURJKSA-N 1 3 317.477 2.417 20 0 DEADHO CCCC[N@H+](C)CCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001406132775 1164467430 /nfs/dbraw/zinc/46/74/30/1164467430.db2.gz WJBZRWRPOCXJDX-QGZVFWFLSA-N 1 3 315.477 2.389 20 0 DEADHO CCCC[N@@H+](C)CCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001406132775 1164467435 /nfs/dbraw/zinc/46/74/35/1164467435.db2.gz WJBZRWRPOCXJDX-QGZVFWFLSA-N 1 3 315.477 2.389 20 0 DEADHO Cc1ccc(C)c(C[NH2+]C[C@@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001406369234 1164556330 /nfs/dbraw/zinc/55/63/30/1164556330.db2.gz RFPABRUHSKCRMA-MRXNPFEDSA-N 1 3 317.477 2.382 20 0 DEADHO CC(C)[C@H](C(=O)NCC1([NH2+]CCc2ccccc2)CC1)N(C)C ZINC001406950963 1164891096 /nfs/dbraw/zinc/89/10/96/1164891096.db2.gz DLXMEZXUUFQNAW-QGZVFWFLSA-N 1 3 317.477 2.054 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CCC1)C2 ZINC001407019936 1164927562 /nfs/dbraw/zinc/92/75/62/1164927562.db2.gz ADROFYMTFNWEGI-IBGZPJMESA-N 1 3 321.509 2.441 20 0 DEADHO CC(C)N(C)CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC001407019936 1164927566 /nfs/dbraw/zinc/92/75/66/1164927566.db2.gz ADROFYMTFNWEGI-IBGZPJMESA-N 1 3 321.509 2.441 20 0 DEADHO CC[C@H](F)CN1CCC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001407030472 1164932465 /nfs/dbraw/zinc/93/24/65/1164932465.db2.gz KNFPQGNAZVXSIY-DOTOQJQBSA-N 1 3 313.461 2.001 20 0 DEADHO C[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)CCN1C(=O)CN1CCCC1 ZINC001407080522 1164959152 /nfs/dbraw/zinc/95/91/52/1164959152.db2.gz CZKIZMYFZYPQRA-HOTGVXAUSA-N 1 3 309.498 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCCF)CC1(C)C)N(C)C ZINC001408148320 1165499080 /nfs/dbraw/zinc/49/90/80/1165499080.db2.gz YUJMZQHSLKTHBX-GJZGRUSLSA-N 1 3 315.477 2.149 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CCCF)CC1(C)C)N(C)C ZINC001408148320 1165499090 /nfs/dbraw/zinc/49/90/90/1165499090.db2.gz YUJMZQHSLKTHBX-GJZGRUSLSA-N 1 3 315.477 2.149 20 0 DEADHO CCCN(C)CC(=O)N1CCC2(CC1)CC[NH+](C(C)C)CC2 ZINC001408256606 1165550794 /nfs/dbraw/zinc/55/07/94/1165550794.db2.gz NWMHLIUUCYDNCZ-UHFFFAOYSA-N 1 3 309.498 2.441 20 0 DEADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001417801233 1167222182 /nfs/dbraw/zinc/22/21/82/1167222182.db2.gz DMXOKKYETJBKJA-KOMQPUFPSA-N 1 3 309.498 2.247 20 0 DEADHO CC[C@H](C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1c[nH]cn1 ZINC001417815959 1167232571 /nfs/dbraw/zinc/23/25/71/1167232571.db2.gz VHAGVEFQJIDERH-LZWOXQAQSA-N 1 3 306.454 2.215 20 0 DEADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CC1CCC1 ZINC001417892977 1167287629 /nfs/dbraw/zinc/28/76/29/1167287629.db2.gz RWJARQJVPNVMDS-DOTOQJQBSA-N 1 3 309.498 2.488 20 0 DEADHO Cc1ccccc1CN1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001417946593 1167319305 /nfs/dbraw/zinc/31/93/05/1167319305.db2.gz WXGVOUZAKXWVHD-QGZVFWFLSA-N 1 3 303.450 2.027 20 0 DEADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CCC1CC1)C1CC1 ZINC001417975798 1167339150 /nfs/dbraw/zinc/33/91/50/1167339150.db2.gz GRITWLIMNNGCLI-DLBZAZTESA-N 1 3 307.482 2.144 20 0 DEADHO Cc1cc(C)cc(C[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001418052077 1167383753 /nfs/dbraw/zinc/38/37/53/1167383753.db2.gz UFZUJXOLUFVXAZ-SFHVURJKSA-N 1 3 317.477 2.334 20 0 DEADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)C1)N(C)C ZINC001418061846 1167389499 /nfs/dbraw/zinc/38/94/99/1167389499.db2.gz DJPNMWKVYHITOF-BZUAXINKSA-N 1 3 323.868 2.417 20 0 DEADHO CCc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H](CC)N(C)C)cc1 ZINC001418246850 1167516276 /nfs/dbraw/zinc/51/62/76/1167516276.db2.gz OVSCEYASGYGEGU-WMLDXEAASA-N 1 3 305.466 2.184 20 0 DEADHO C[C@H](CNC(=O)CC[NH+](C)C)N[C@@H](C)c1ccccc1Cl ZINC001418270210 1167534784 /nfs/dbraw/zinc/53/47/84/1167534784.db2.gz UAEUORJXTNNXOP-OLZOCXBDSA-N 1 3 311.857 2.447 20 0 DEADHO CCc1cccc(CN(CC)CCNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001418577348 1167823435 /nfs/dbraw/zinc/82/34/35/1167823435.db2.gz ZYZRCMBVKRNTDH-SFHVURJKSA-N 1 3 317.477 2.139 20 0 DEADHO CCc1cccc(CN(CC)CCNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001418577348 1167823437 /nfs/dbraw/zinc/82/34/37/1167823437.db2.gz ZYZRCMBVKRNTDH-SFHVURJKSA-N 1 3 317.477 2.139 20 0 DEADHO Cc1ccccc1C[N@@H+](CCNC(=O)[C@@H]1CCCN1C)C1CC1 ZINC001418753488 1167943542 /nfs/dbraw/zinc/94/35/42/1167943542.db2.gz OJQFHTXSKHNXPL-SFHVURJKSA-N 1 3 315.461 2.170 20 0 DEADHO Cc1ccccc1C[N@H+](CCNC(=O)[C@@H]1CCCN1C)C1CC1 ZINC001418753488 1167943544 /nfs/dbraw/zinc/94/35/44/1167943544.db2.gz OJQFHTXSKHNXPL-SFHVURJKSA-N 1 3 315.461 2.170 20 0 DEADHO C[NH+](C)Cc1ccc(C(=O)NCC[C@@H]2CCN(CCF)C2)cc1 ZINC001418905455 1168057862 /nfs/dbraw/zinc/05/78/62/1168057862.db2.gz HRRKPHIGRBBFOS-MRXNPFEDSA-N 1 3 321.440 2.160 20 0 DEADHO C[C@@H](F)CC[NH2+][C@H](CNC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001419282683 1168371724 /nfs/dbraw/zinc/37/17/24/1168371724.db2.gz VIBRTCTWJDUFRP-UKRRQHHQSA-N 1 3 313.461 2.093 20 0 DEADHO C[C@@H](F)CC[NH2+][C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001419376015 1168430245 /nfs/dbraw/zinc/43/02/45/1168430245.db2.gz HZDWILUEEMIFJP-RBSFLKMASA-N 1 3 313.461 2.236 20 0 DEADHO CC[C@H](F)C[NH+]1CCC(CCNC(=O)CN(C)C(C)C)CC1 ZINC001419413737 1168456285 /nfs/dbraw/zinc/45/62/85/1168456285.db2.gz HTJDYVUIHLDKBE-INIZCTEOSA-N 1 3 315.477 2.293 20 0 DEADHO Cc1ccc(F)c(CN[C@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001419890457 1168894164 /nfs/dbraw/zinc/89/41/64/1168894164.db2.gz BTAZRPSINWMQEH-CABCVRRESA-N 1 3 321.440 2.070 20 0 DEADHO Cc1ccc(F)c(CN[C@H](C)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001419890457 1168894165 /nfs/dbraw/zinc/89/41/65/1168894165.db2.gz BTAZRPSINWMQEH-CABCVRRESA-N 1 3 321.440 2.070 20 0 DEADHO CN(CC(=O)N1CC[C@@H](C[NH2+]CC2CCC2)C1)CC(C)(C)C ZINC001419992651 1169042019 /nfs/dbraw/zinc/04/20/19/1169042019.db2.gz MGDZVBTYRRRMCE-INIZCTEOSA-N 1 3 309.498 2.203 20 0 DEADHO Cc1cccc(C[NH2+]C[C@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001420006203 1169054323 /nfs/dbraw/zinc/05/43/23/1169054323.db2.gz AVSRTIDFZDRSFM-GOSISDBHSA-N 1 3 317.477 2.273 20 0 DEADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC1CCCC1 ZINC001420120184 1169174726 /nfs/dbraw/zinc/17/47/26/1169174726.db2.gz NDBYITFVPMEHAY-IRXDYDNUSA-N 1 3 309.498 2.393 20 0 DEADHO CC[NH2+]Cc1ccc(CNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001421611442 1171867553 /nfs/dbraw/zinc/86/75/53/1171867553.db2.gz TXKXGEZAFBCZEB-UHFFFAOYSA-N 1 3 305.466 2.390 20 0 DEADHO CC1CC[NH+](CC[C@H]2CCCN2CCCC(=O)N(C)C)CC1 ZINC001422160129 1172358624 /nfs/dbraw/zinc/35/86/24/1172358624.db2.gz GNSILTJXISJDCW-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CC1CCN(CC[C@H]2CCC[N@@H+]2CCCC(=O)N(C)C)CC1 ZINC001422160129 1172358633 /nfs/dbraw/zinc/35/86/33/1172358633.db2.gz GNSILTJXISJDCW-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO CC1CCN(CC[C@H]2CCC[N@H+]2CCCC(=O)N(C)C)CC1 ZINC001422160129 1172358642 /nfs/dbraw/zinc/35/86/42/1172358642.db2.gz GNSILTJXISJDCW-QGZVFWFLSA-N 1 3 309.498 2.441 20 0 DEADHO Cc1ccc(C)c(CN(C)CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001422237116 1172424713 /nfs/dbraw/zinc/42/47/13/1172424713.db2.gz NLSMGQNMDSCGPL-KRWDZBQOSA-N 1 3 317.477 2.145 20 0 DEADHO Cc1ccc(C)c(CN(C)CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001422237116 1172424715 /nfs/dbraw/zinc/42/47/15/1172424715.db2.gz NLSMGQNMDSCGPL-KRWDZBQOSA-N 1 3 317.477 2.145 20 0 DEADHO Cc1ccc(F)c(CN[C@H](C)[C@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001422386225 1172540531 /nfs/dbraw/zinc/54/05/31/1172540531.db2.gz NBBGWJONZJRCDH-KGLIPLIRSA-N 1 3 309.429 2.069 20 0 DEADHO Cc1[nH]cnc1CC(=O)NC1(C[NH2+]CC(C)C)CCCCC1 ZINC001422681106 1172806433 /nfs/dbraw/zinc/80/64/33/1172806433.db2.gz OTFKRSRAJHVIKB-UHFFFAOYSA-N 1 3 306.454 2.325 20 0 DEADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CCc1ccc(C)cc1)N(C)C ZINC001423143537 1173114344 /nfs/dbraw/zinc/11/43/44/1173114344.db2.gz BURIRDGUEMZPCN-WMZOPIPTSA-N 1 3 319.493 2.314 20 0 DEADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CN(C)C(C)C)C2)cc1 ZINC001423343583 1173269257 /nfs/dbraw/zinc/26/92/57/1173269257.db2.gz FICFUPOZHJPJJW-AEFFLSMTSA-N 1 3 317.477 2.414 20 0 DEADHO CC[C@@H](F)C[NH2+]CC1(NC(=O)[C@H](CC)N(C)C)CCCCC1 ZINC001425171831 1174206001 /nfs/dbraw/zinc/20/60/01/1174206001.db2.gz GMKVBORXQVEYBP-CABCVRRESA-N 1 3 315.477 2.483 20 0 DEADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2C)C1)N(C)C ZINC001425420443 1174313360 /nfs/dbraw/zinc/31/33/60/1174313360.db2.gz LCTOIWDCLHUFCO-SZMVWBNQSA-N 1 3 317.477 2.320 20 0 DEADHO CC(C)[C@@H](C(=O)N1CCC(N(C)C/C=C\Cl)CC1)[NH+](C)C ZINC001425439569 1174321293 /nfs/dbraw/zinc/32/12/93/1174321293.db2.gz PJLNVKXPOMLGPK-AJHXJQRKSA-N 1 3 315.889 2.248 20 0 DEADHO O[C@H](C[NH2+]Cc1cccc(-c2cccnc2)c1)CN1CCCC1 ZINC001434500247 1178684884 /nfs/dbraw/zinc/68/48/84/1178684884.db2.gz HYUOMJJTFBIXLB-LJQANCHMSA-N 1 3 311.429 2.295 20 0 DEADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC001436732662 1179208660 /nfs/dbraw/zinc/20/86/60/1179208660.db2.gz STAQBSGTFWQNSV-OAHLLOKOSA-N 1 3 307.482 2.240 20 0 DEADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC001436732662 1179208670 /nfs/dbraw/zinc/20/86/70/1179208670.db2.gz STAQBSGTFWQNSV-OAHLLOKOSA-N 1 3 307.482 2.240 20 0 DEADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[NH2+]CC2CC(C)C2)C1 ZINC001437036715 1179367004 /nfs/dbraw/zinc/36/70/04/1179367004.db2.gz RYJCSXKUGXTBLZ-AQFXKWCLSA-N 1 3 309.498 2.201 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[N@H+](C)CCC2CCCCC2)C1 ZINC001437515597 1179831562 /nfs/dbraw/zinc/83/15/62/1179831562.db2.gz BPBLUIVYIDWWGO-MRXNPFEDSA-N 1 3 309.498 2.347 20 0 DEADHO C[C@@H]1CCN(CC(=O)NCC[N@@H+](C)CCC2CCCCC2)C1 ZINC001437515597 1179831564 /nfs/dbraw/zinc/83/15/64/1179831564.db2.gz BPBLUIVYIDWWGO-MRXNPFEDSA-N 1 3 309.498 2.347 20 0 DEADHO CN(CCNC(=O)CC[NH+](C)C)Cc1cc2ccccc2s1 ZINC001437515373 1179831952 /nfs/dbraw/zinc/83/19/52/1179831952.db2.gz HVKSHNNGPUPENC-UHFFFAOYSA-N 1 3 319.474 2.401 20 0 DEADHO Cc1ccccc1CN(C)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001437567802 1179848742 /nfs/dbraw/zinc/84/87/42/1179848742.db2.gz ZIDBDGTVVXKIBA-IAGOWNOFSA-N 1 3 317.477 2.416 20 0 DEADHO CN(CC(=O)NCC[N@H+](CC1CCC1)C1CC1)CC(C)(C)C ZINC001437807568 1180004160 /nfs/dbraw/zinc/00/41/60/1180004160.db2.gz MVYJYOARICHYFI-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CN(CC(=O)NCC[N@@H+](CC1CCC1)C1CC1)CC(C)(C)C ZINC001437807568 1180004164 /nfs/dbraw/zinc/00/41/64/1180004164.db2.gz MVYJYOARICHYFI-UHFFFAOYSA-N 1 3 309.498 2.345 20 0 DEADHO CCCN(C)CC(=O)N1CCC([C@@H](C)[NH2+]CC[C@@H](C)F)CC1 ZINC001437849396 1180028601 /nfs/dbraw/zinc/02/86/01/1180028601.db2.gz CMEIWZZNFKNFBI-HUUCEWRRSA-N 1 3 315.477 2.293 20 0 DEADHO CN(CCF)C[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001437983043 1180130072 /nfs/dbraw/zinc/13/00/72/1180130072.db2.gz CTGJEWRAZQHAAJ-MRXNPFEDSA-N 1 3 313.461 2.002 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)CC2CC(C)C2)C1 ZINC001438002772 1180153722 /nfs/dbraw/zinc/15/37/22/1180153722.db2.gz RLBFCRJCUCETLT-CGZBRXJRSA-N 1 3 309.498 2.155 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC(C)C2)C1 ZINC001438002772 1180153736 /nfs/dbraw/zinc/15/37/36/1180153736.db2.gz RLBFCRJCUCETLT-CGZBRXJRSA-N 1 3 309.498 2.155 20 0 DEADHO CC[C@H](CNC(=O)[C@@H]1CCCCN1CC)[NH2+]Cc1cncs1 ZINC001438373070 1180378286 /nfs/dbraw/zinc/37/82/86/1180378286.db2.gz JZSJEJXFVGMWEG-HIFRSBDPSA-N 1 3 324.494 2.002 20 0 DEADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+]CC1CCCC1 ZINC001438524704 1180542942 /nfs/dbraw/zinc/54/29/42/1180542942.db2.gz XLUDNGLCWCDAHH-HNNXBMFYSA-N 1 3 309.498 2.393 20 0 DEADHO C[C@H](CNCc1ccc(Cl)s1)NC(=O)CCC[NH+](C)C ZINC001439145628 1180896631 /nfs/dbraw/zinc/89/66/31/1180896631.db2.gz XZWSFKKOLOXBND-LLVKDONJSA-N 1 3 317.886 2.338 20 0 DEADHO C[C@@H](C[N@H+](C)CC1CC2(CCC2)C1)NC(=O)CN1CC[C@H](C)C1 ZINC001439364034 1181045920 /nfs/dbraw/zinc/04/59/20/1181045920.db2.gz GNZHZMAPILVPGM-HOTGVXAUSA-N 1 3 321.509 2.345 20 0 DEADHO C[C@@H](C[N@@H+](C)CC1CC2(CCC2)C1)NC(=O)CN1CC[C@H](C)C1 ZINC001439364034 1181045926 /nfs/dbraw/zinc/04/59/26/1181045926.db2.gz GNZHZMAPILVPGM-HOTGVXAUSA-N 1 3 321.509 2.345 20 0 DEADHO CC(C)[C@H](C(=O)NC[C@H]1CCN1CCC1CC1)[NH+]1CCCCC1 ZINC001439572011 1181151398 /nfs/dbraw/zinc/15/13/98/1181151398.db2.gz MSCVPNLXAYJOFJ-QZTJIDSGSA-N 1 3 321.509 2.488 20 0 DEADHO C[NH+](C)CCCC(=O)N1CCC[C@H]1CNCc1ccccc1F ZINC001439786313 1181234437 /nfs/dbraw/zinc/23/44/37/1181234437.db2.gz ZFCOYNVDFLOQRV-INIZCTEOSA-N 1 3 321.440 2.248 20 0 DEADHO CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001439924184 1181306739 /nfs/dbraw/zinc/30/67/39/1181306739.db2.gz UHDPVAZWTDEQTJ-INIZCTEOSA-N 1 3 309.498 2.488 20 0 DEADHO CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C/C=C/Cl)C2 ZINC001440112871 1181354272 /nfs/dbraw/zinc/35/42/72/1181354272.db2.gz QWMPROQFSONPDF-POZMBQRDSA-N 1 3 313.873 2.050 20 0 DEADHO CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C/C=C/Cl)C2 ZINC001440112871 1181354278 /nfs/dbraw/zinc/35/42/78/1181354278.db2.gz QWMPROQFSONPDF-POZMBQRDSA-N 1 3 313.873 2.050 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCF)N(C)C ZINC001440124412 1181358951 /nfs/dbraw/zinc/35/89/51/1181358951.db2.gz XJHCAPZWKKWXOL-FZKCQIBNSA-N 1 3 313.461 2.045 20 0 DEADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCF)N(C)C ZINC001440124412 1181358961 /nfs/dbraw/zinc/35/89/61/1181358961.db2.gz XJHCAPZWKKWXOL-FZKCQIBNSA-N 1 3 313.461 2.045 20 0 DEADHO CCCN(C)CC(=O)N1CC2(C[C@@H]1C)CC[NH+](CC1CC1)CC2 ZINC001440412123 1181495072 /nfs/dbraw/zinc/49/50/72/1181495072.db2.gz CTLOYMJALVXADB-INIZCTEOSA-N 1 3 321.509 2.441 20 0 DEADHO Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)Cc2c[nH]cn2)cc1 ZINC001440474657 1181543138 /nfs/dbraw/zinc/54/31/38/1181543138.db2.gz YWKBWQZHYSSABT-UHFFFAOYSA-N 1 3 314.433 2.241 20 0 DEADHO Cc1ccc(C[N@H+](C)CCCN(C)C(=O)Cc2c[nH]cn2)cc1 ZINC001440474657 1181543144 /nfs/dbraw/zinc/54/31/44/1181543144.db2.gz YWKBWQZHYSSABT-UHFFFAOYSA-N 1 3 314.433 2.241 20 0 DEADHO CC(C)N(C)CC(=O)NCC[C@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC001440691845 1181642665 /nfs/dbraw/zinc/64/26/65/1181642665.db2.gz IWCBQXYZFRUZKE-YJBOKZPZSA-N 1 3 317.477 2.499 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CCC[N@H+](CCC2CC2)C1)N1CCCC1 ZINC001441050633 1181834913 /nfs/dbraw/zinc/83/49/13/1181834913.db2.gz ZFLJASBHDAEZCU-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC(C)[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCC2CC2)C1)N1CCCC1 ZINC001441050633 1181834916 /nfs/dbraw/zinc/83/49/16/1181834916.db2.gz ZFLJASBHDAEZCU-ROUUACIJSA-N 1 3 321.509 2.488 20 0 DEADHO CC[C@@H](F)C[N@H+](C)C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001441302220 1181937898 /nfs/dbraw/zinc/93/78/98/1181937898.db2.gz ZUMSHMDHRHLIGY-HZPDHXFCSA-N 1 3 315.477 2.245 20 0 DEADHO CC[C@@H](F)C[N@@H+](C)C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001441302220 1181937904 /nfs/dbraw/zinc/93/79/04/1181937904.db2.gz ZUMSHMDHRHLIGY-HZPDHXFCSA-N 1 3 315.477 2.245 20 0 DEADHO CCN1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC(C)C ZINC001441675511 1182124380 /nfs/dbraw/zinc/12/43/80/1182124380.db2.gz MPBJCGCIJLOZKY-IRXDYDNUSA-N 1 3 309.498 2.488 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCC(C)CC3)C[C@H]21 ZINC001441722344 1182136284 /nfs/dbraw/zinc/13/62/84/1182136284.db2.gz CEHGOWMXWZMRPK-LINSHTSCSA-N 1 3 321.509 2.201 20 0 DEADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCC(C)CC3)C[C@H]21 ZINC001441722344 1182136288 /nfs/dbraw/zinc/13/62/88/1182136288.db2.gz CEHGOWMXWZMRPK-LINSHTSCSA-N 1 3 321.509 2.201 20 0 DEADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccsc2)[C@H]1C ZINC001441825164 1182178112 /nfs/dbraw/zinc/17/81/12/1182178112.db2.gz NKQLENJPARXSRN-HIFRSBDPSA-N 1 3 309.479 2.169 20 0 DEADHO Cc1ccc(C[NH2+][C@H](C)CNC(=O)CN(C)C2CCC2)cc1C ZINC001441842158 1182209838 /nfs/dbraw/zinc/20/98/38/1182209838.db2.gz NLRADUDEJMGCMX-MRXNPFEDSA-N 1 3 317.477 2.382 20 0 DEADHO C[C@H](C(=O)NC[C@@H]1CC[N@H+](CCC2CC2)C1)N1CCCCCC1 ZINC001442874250 1182759225 /nfs/dbraw/zinc/75/92/25/1182759225.db2.gz ARGCPRWDZYRUPT-AEFFLSMTSA-N 1 3 321.509 2.489 20 0 DEADHO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](CCC2CC2)C1)N1CCCCCC1 ZINC001442874250 1182759237 /nfs/dbraw/zinc/75/92/37/1182759237.db2.gz ARGCPRWDZYRUPT-AEFFLSMTSA-N 1 3 321.509 2.489 20 0 DEADHO CC(C)C[NH2+][C@H](CNC(=O)CN(C)C(C)C)c1ccccc1 ZINC001443136685 1182858858 /nfs/dbraw/zinc/85/88/58/1182858858.db2.gz FNIIIXJZGQDXQJ-QGZVFWFLSA-N 1 3 305.466 2.430 20 0 DEADHO CCC[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001443223864 1182885990 /nfs/dbraw/zinc/88/59/90/1182885990.db2.gz YINCFQUFKZADQJ-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CCC[N@H+]1CC[C@@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001443223864 1182885997 /nfs/dbraw/zinc/88/59/97/1182885997.db2.gz YINCFQUFKZADQJ-MRXNPFEDSA-N 1 3 309.498 2.489 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CCC(C)(C)C)C1 ZINC001443314957 1182921225 /nfs/dbraw/zinc/92/12/25/1182921225.db2.gz WWSUGXMJOMUBFW-CVEARBPZSA-N 1 3 309.498 2.297 20 0 DEADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCC(C)(C)C)C1 ZINC001443314957 1182921232 /nfs/dbraw/zinc/92/12/32/1182921232.db2.gz WWSUGXMJOMUBFW-CVEARBPZSA-N 1 3 309.498 2.297 20 0 DEADHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCc1ccccc1 ZINC001443990672 1183243740 /nfs/dbraw/zinc/24/37/40/1183243740.db2.gz VHJBSEODADOOJR-AEFFLSMTSA-N 1 3 317.477 2.055 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+]CC[C@H](C)F)CC1 ZINC001444186861 1183309445 /nfs/dbraw/zinc/30/94/45/1183309445.db2.gz BDTYNVICDFGNHM-KKUMJFAQSA-N 1 3 301.450 2.092 20 0 DEADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1cccc(F)c1 ZINC001444319309 1183346699 /nfs/dbraw/zinc/34/66/99/1183346699.db2.gz HKNCPGHHLVKKGG-CQSZACIVSA-N 1 3 321.440 2.152 20 0 DEADHO CC[C@H](F)C[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCCC1 ZINC001444500794 1183417702 /nfs/dbraw/zinc/41/77/02/1183417702.db2.gz PUNGANLZZOVSFP-AWEZNQCLSA-N 1 3 313.461 2.237 20 0 DEADHO CCCN(C)CC(=O)NCC1([NH2+]C/C=C\Cl)CCCC1 ZINC001444533425 1183436582 /nfs/dbraw/zinc/43/65/82/1183436582.db2.gz LBWCJZWPLDZSNG-TWGQIWQCSA-N 1 3 301.862 2.099 20 0 DEADHO C[C@@H](C[NH2+]Cc1cccc(Cl)c1)N(C)C(=O)[C@@H]1CCCN1C ZINC001444582019 1183466149 /nfs/dbraw/zinc/46/61/49/1183466149.db2.gz IOJNCXFVCDLJLK-BBRMVZONSA-N 1 3 323.868 2.371 20 0 DEADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C/C=C\Cl)C1 ZINC001444811824 1183565288 /nfs/dbraw/zinc/56/52/88/1183565288.db2.gz IZMSQMBWUMOEJF-XCRGBYMUSA-N 1 3 315.889 2.297 20 0 DEADHO CC(C)N(C)CC(=O)N[C@H](C)CC[NH2+][C@@H]1CCc2ccccc21 ZINC001445311017 1183830641 /nfs/dbraw/zinc/83/06/41/1183830641.db2.gz SQGWWYRJPQLPFL-CRAIPNDOSA-N 1 3 317.477 2.499 20 0 DEADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]CC1CCC(F)(F)CC1 ZINC001445479052 1183883385 /nfs/dbraw/zinc/88/33/85/1183883385.db2.gz AKMQLMIFAHZGCA-CYBMUJFWSA-N 1 3 319.440 2.248 20 0 DEADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001445575805 1183912777 /nfs/dbraw/zinc/91/27/77/1183912777.db2.gz MYMYGWVFQAMNCH-XJKSGUPXSA-N 1 3 309.429 2.069 20 0 DEADHO C[C@@H](C[NH2+]CC1CCC2(CC2)CC1)NC(=O)CN1CC[C@H](C)C1 ZINC001445603119 1183927782 /nfs/dbraw/zinc/92/77/82/1183927782.db2.gz AZVUKZMJXBKXFJ-HOTGVXAUSA-N 1 3 321.509 2.393 20 0 DEADHO Cc1cccc(C[NH2+]C[C@H](NC(=O)CN(C)C(C)C)C2CC2)c1 ZINC001446025396 1184185862 /nfs/dbraw/zinc/18/58/62/1184185862.db2.gz ZVWKRCQJXQVMAU-SFHVURJKSA-N 1 3 317.477 2.320 20 0 DEADHO Cc1ccc(C[NH2+]C2(CNC(=O)CN(C)C(C)C)CC2)cc1C ZINC001446299947 1184301001 /nfs/dbraw/zinc/30/10/01/1184301001.db2.gz QNTRPPDHLSMVIY-UHFFFAOYSA-N 1 3 317.477 2.382 20 0 DEADHO C[C@@H]([NH2+]CC1CC1)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001446943316 1184585668 /nfs/dbraw/zinc/58/56/68/1184585668.db2.gz SAVTUNPTUXUPBF-ZBFHGGJFSA-N 1 3 309.498 2.201 20 0 DEADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001446944372 1184586846 /nfs/dbraw/zinc/58/68/46/1184586846.db2.gz VTILJVNVOQEUJO-WBVHZDCISA-N 1 3 323.525 2.449 20 0 DEADHO CC[N@H+](CCF)CC1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC001447731521 1184851239 /nfs/dbraw/zinc/85/12/39/1184851239.db2.gz BHMHYEOJQAGTJT-MRXNPFEDSA-N 1 3 313.461 2.001 20 0 DEADHO CC[N@@H+](CCF)CC1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC001447731521 1184851245 /nfs/dbraw/zinc/85/12/45/1184851245.db2.gz BHMHYEOJQAGTJT-MRXNPFEDSA-N 1 3 313.461 2.001 20 0 DEADHO CCC(CC)C[NH+]1CC([C@@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001448305156 1185155367 /nfs/dbraw/zinc/15/53/67/1185155367.db2.gz MJHSUMCVGFQVOV-CQSZACIVSA-N 1 3 309.498 2.343 20 0 DEADHO CC(C)CC[NH+]1CC([C@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001448320439 1185161217 /nfs/dbraw/zinc/16/12/17/1185161217.db2.gz OQFXXQLKFMMISD-HNNXBMFYSA-N 1 3 311.514 2.447 20 0 DEADHO